smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000368470574 168360852 /nfs/dbraw/zinc/36/08/52/168360852.db2.gz NVLDAUYEJRKTBW-AHJNKEMKSA-N 2 1 342.527 3.428 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C/C=C\c1ccc(F)cc1F ZINC000349974669 282210071 /nfs/dbraw/zinc/21/00/71/282210071.db2.gz MWLRFIQXYMHXQW-BSWMADRKSA-N 2 1 336.426 3.162 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C/C=C\c1ccc(F)cc1F ZINC000349974669 282210075 /nfs/dbraw/zinc/21/00/75/282210075.db2.gz MWLRFIQXYMHXQW-BSWMADRKSA-N 2 1 336.426 3.162 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000178095658 232080257 /nfs/dbraw/zinc/08/02/57/232080257.db2.gz OHBXBCOINPXNPR-KGLIPLIRSA-N 2 1 328.460 3.135 20 0 EGADMP Cc1cncc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000184260637 235349264 /nfs/dbraw/zinc/34/92/64/235349264.db2.gz BQIUUYXLTIGFMF-KRWDZBQOSA-N 2 1 325.456 3.073 20 0 EGADMP C[NH2+]CCC1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000070189858 202317893 /nfs/dbraw/zinc/31/78/93/202317893.db2.gz AWTRFFCOLXCGDR-UHFFFAOYSA-N 2 1 329.257 3.410 20 0 EGADMP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000267530485 201223827 /nfs/dbraw/zinc/22/38/27/201223827.db2.gz RUDPODPCTNWVKH-HNAYVOBHSA-N 2 1 326.488 3.180 20 0 EGADMP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000267530485 201223828 /nfs/dbraw/zinc/22/38/28/201223828.db2.gz RUDPODPCTNWVKH-HNAYVOBHSA-N 2 1 326.488 3.180 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c2cnn3C)CC[N@@H+]1Cc1ccccc1 ZINC000268816834 201228269 /nfs/dbraw/zinc/22/82/69/201228269.db2.gz MTRITUPXICHTFI-KPFFTGBYSA-N 2 1 338.499 3.440 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c2cnn3C)CC[N@H+]1Cc1ccccc1 ZINC000268816834 201228273 /nfs/dbraw/zinc/22/82/73/201228273.db2.gz MTRITUPXICHTFI-KPFFTGBYSA-N 2 1 338.499 3.440 20 0 EGADMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272668542 201252731 /nfs/dbraw/zinc/25/27/31/201252731.db2.gz OVGFCDFZZOJCOS-KCLUMXDGSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H](N[C@@H]1CC[NH+]2CCCC[C@@H]12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272668542 201252736 /nfs/dbraw/zinc/25/27/36/201252736.db2.gz OVGFCDFZZOJCOS-KCLUMXDGSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H](N[C@@H]1CC[NH+]2CCCC[C@@H]12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272668542 201252738 /nfs/dbraw/zinc/25/27/38/201252738.db2.gz OVGFCDFZZOJCOS-KCLUMXDGSA-N 2 1 327.516 3.113 20 0 EGADMP COc1ccc([C@@H]2CCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000191408232 239096904 /nfs/dbraw/zinc/09/69/04/239096904.db2.gz NELZKAOEDNLODX-NRFANRHFSA-N 2 1 345.531 3.248 20 0 EGADMP c1ccc(C[N@@H+](Cc2ccc3c(c2)CCO3)[C@H]2CCC[NH2+]CC2)nc1 ZINC000275553368 201285324 /nfs/dbraw/zinc/28/53/24/201285324.db2.gz FFZMLNZDZRJQDT-FQEVSTJZSA-N 2 1 337.467 3.161 20 0 EGADMP c1ccc(C[N@H+](Cc2ccc3c(c2)CCO3)[C@H]2CCC[NH2+]CC2)nc1 ZINC000275553368 201285327 /nfs/dbraw/zinc/28/53/27/201285327.db2.gz FFZMLNZDZRJQDT-FQEVSTJZSA-N 2 1 337.467 3.161 20 0 EGADMP CCn1nccc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289984284 201337339 /nfs/dbraw/zinc/33/73/39/201337339.db2.gz ZZEJRAVHEIWRBA-IBGZPJMESA-N 2 1 326.488 3.295 20 0 EGADMP CCn1nccc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289984284 201337343 /nfs/dbraw/zinc/33/73/43/201337343.db2.gz ZZEJRAVHEIWRBA-IBGZPJMESA-N 2 1 326.488 3.295 20 0 EGADMP C[NH+](C)CCOc1cc(C[NH2+]Cc2sccc2Cl)ccn1 ZINC000193194327 240057210 /nfs/dbraw/zinc/05/72/10/240057210.db2.gz FIPWTSWKSSLFST-UHFFFAOYSA-N 2 1 325.865 3.027 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000236727728 242337754 /nfs/dbraw/zinc/33/77/54/242337754.db2.gz SCQSNBUVYKBVLA-RBUKOAKNSA-N 2 1 331.504 3.052 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000246392388 243244991 /nfs/dbraw/zinc/24/49/91/243244991.db2.gz PLOWSPODZNVAHX-GGPKGHCWSA-N 2 1 343.515 3.190 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cnc2ccsc2c1 ZINC000268959941 296122084 /nfs/dbraw/zinc/12/20/84/296122084.db2.gz XCGGGLDTUBOVGH-GDBMZVCRSA-N 2 1 333.501 3.184 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(F)c(F)c(F)c2)C[C@H](C)O1 ZINC000076398167 203352141 /nfs/dbraw/zinc/35/21/41/203352141.db2.gz STHXSCPCCCHUAP-BETUJISGSA-N 2 1 330.394 3.083 20 0 EGADMP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000262711595 245138011 /nfs/dbraw/zinc/13/80/11/245138011.db2.gz QPJIMTIQYFMMMT-UZLBHIALSA-N 2 1 331.504 3.052 20 0 EGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccco2)CC1 ZINC000105464817 204147700 /nfs/dbraw/zinc/14/77/00/204147700.db2.gz GXMANCWNRMNJQU-OAHLLOKOSA-N 2 1 331.435 3.411 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cccnc3)CC2)oc1C ZINC000112547325 204402980 /nfs/dbraw/zinc/40/29/80/204402980.db2.gz XJDSCQYBGZNSPC-OAHLLOKOSA-N 2 1 328.460 3.249 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)cn1 ZINC000126410640 205054087 /nfs/dbraw/zinc/05/40/87/205054087.db2.gz WKLVGRITWOOPKE-UHFFFAOYSA-N 2 1 347.466 3.334 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]CC1=CCCOC1 ZINC000127511261 205104896 /nfs/dbraw/zinc/10/48/96/205104896.db2.gz PBAUPDAXBYHSJV-UHFFFAOYSA-N 2 1 326.440 3.348 20 0 EGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1C(F)(F)F ZINC000128425044 205146582 /nfs/dbraw/zinc/14/65/82/205146582.db2.gz MBHXDRLMZBVGNL-HNNXBMFYSA-N 2 1 343.437 3.384 20 0 EGADMP COc1cc(NC2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)cc(OC)c1 ZINC000129190667 205182894 /nfs/dbraw/zinc/18/28/94/205182894.db2.gz FWNUPGQQGSZEIN-SFHVURJKSA-N 2 1 347.503 3.064 20 0 EGADMP Cn1ncc(Cl)c1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000130330429 205234596 /nfs/dbraw/zinc/23/45/96/205234596.db2.gz URIYQUXZMARTGS-UHFFFAOYSA-N 2 1 332.879 3.349 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000130719102 205253763 /nfs/dbraw/zinc/25/37/63/205253763.db2.gz XZCJJGWJKXCFSM-INIZCTEOSA-N 2 1 328.460 3.157 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000130719102 205253768 /nfs/dbraw/zinc/25/37/68/205253768.db2.gz XZCJJGWJKXCFSM-INIZCTEOSA-N 2 1 328.460 3.157 20 0 EGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCCO2 ZINC000132828705 205343824 /nfs/dbraw/zinc/34/38/24/205343824.db2.gz YTWOJSKXTQVDLT-BEFAXECRSA-N 2 1 348.462 3.130 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159355484 206240171 /nfs/dbraw/zinc/24/01/71/206240171.db2.gz UIIKFXGRJXWORO-SFHVURJKSA-N 2 1 345.531 3.135 20 0 EGADMP COc1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1C)CCCO2 ZINC000164594408 206498833 /nfs/dbraw/zinc/49/88/33/206498833.db2.gz ZYHDSPQICINPPF-GOSISDBHSA-N 2 1 329.444 3.484 20 0 EGADMP Fc1ccc(C2=CC[C@H]([NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC000378527640 169135969 /nfs/dbraw/zinc/13/59/69/169135969.db2.gz DSHNEKXLBFICCP-UFYCRDLUSA-N 2 1 330.447 3.214 20 0 EGADMP Fc1ccc(C2=CC[C@H]([NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC000378527640 169135971 /nfs/dbraw/zinc/13/59/71/169135971.db2.gz DSHNEKXLBFICCP-UFYCRDLUSA-N 2 1 330.447 3.214 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(CO)o2)C1 ZINC000174271994 207006631 /nfs/dbraw/zinc/00/66/31/207006631.db2.gz SXZPALHPOBQVAJ-MRXNPFEDSA-N 2 1 328.456 3.294 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(CO)o2)C1 ZINC000174271994 207006635 /nfs/dbraw/zinc/00/66/35/207006635.db2.gz SXZPALHPOBQVAJ-MRXNPFEDSA-N 2 1 328.456 3.294 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000177247805 207311656 /nfs/dbraw/zinc/31/16/56/207311656.db2.gz AUUVLGQTPSFPHY-FQEVSTJZSA-N 2 1 343.515 3.203 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000268775840 252224631 /nfs/dbraw/zinc/22/46/31/252224631.db2.gz VRVMTPWJBWJJOC-VQIMIIECSA-N 2 1 325.456 3.090 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000268775840 252224634 /nfs/dbraw/zinc/22/46/34/252224634.db2.gz VRVMTPWJBWJJOC-VQIMIIECSA-N 2 1 325.456 3.090 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000268775836 252224912 /nfs/dbraw/zinc/22/49/12/252224912.db2.gz VRVMTPWJBWJJOC-LPHOPBHVSA-N 2 1 325.456 3.090 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000268775836 252224918 /nfs/dbraw/zinc/22/49/18/252224918.db2.gz VRVMTPWJBWJJOC-LPHOPBHVSA-N 2 1 325.456 3.090 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000268802597 252256169 /nfs/dbraw/zinc/25/61/69/252256169.db2.gz JQWLEUURJUJDGU-LBPRGKRZSA-N 2 1 327.350 3.483 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1Br ZINC000268852541 252300395 /nfs/dbraw/zinc/30/03/95/252300395.db2.gz YCWHZOISNXVZLZ-LLVKDONJSA-N 2 1 338.249 3.313 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc1)C(C)C ZINC000261872392 285097948 /nfs/dbraw/zinc/09/79/48/285097948.db2.gz SNFXUVZULIODGR-LPHOPBHVSA-N 2 1 331.504 3.116 20 0 EGADMP C[C@@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000246505048 141013441 /nfs/dbraw/zinc/01/34/41/141013441.db2.gz QDZFQHDXTQIXSJ-NTDBWNAOSA-N 2 1 345.531 3.195 20 0 EGADMP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000246833365 141037776 /nfs/dbraw/zinc/03/77/76/141037776.db2.gz APGULFRXZKTHLX-JTDSTZFVSA-N 2 1 331.504 3.035 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2OCCCOC)[C@@H](C)C1 ZINC000246897721 141042155 /nfs/dbraw/zinc/04/21/55/141042155.db2.gz FBHUFZCVAKWSES-PKOBYXMFSA-N 2 1 334.504 3.230 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2OCCCOC)[C@@H](C)C1 ZINC000246897721 141042159 /nfs/dbraw/zinc/04/21/59/141042159.db2.gz FBHUFZCVAKWSES-PKOBYXMFSA-N 2 1 334.504 3.230 20 0 EGADMP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000246932392 141044004 /nfs/dbraw/zinc/04/40/04/141044004.db2.gz HAGIPBDMJYILGV-VQIMIIECSA-N 2 1 331.504 3.036 20 0 EGADMP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000246932392 141044005 /nfs/dbraw/zinc/04/40/05/141044005.db2.gz HAGIPBDMJYILGV-VQIMIIECSA-N 2 1 331.504 3.036 20 0 EGADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246979293 141046478 /nfs/dbraw/zinc/04/64/78/141046478.db2.gz JYWAEDULMQJBFD-LPHOPBHVSA-N 2 1 326.488 3.186 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](CC(C)C)CC2)cc1)C1CC1 ZINC000338046361 141080740 /nfs/dbraw/zinc/08/07/40/141080740.db2.gz MHHFOAVPUMAPED-UHFFFAOYSA-N 2 1 343.515 3.085 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cc[nH]c(=O)c1 ZINC000339459626 141114947 /nfs/dbraw/zinc/11/49/47/141114947.db2.gz BYYXSVHVVPNARC-OAHLLOKOSA-N 2 1 343.446 3.284 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(CC(F)F)CC2)c1 ZINC000342795522 141148509 /nfs/dbraw/zinc/14/85/09/141148509.db2.gz OKKGTOUBAGBIMI-UHFFFAOYSA-N 2 1 339.474 3.346 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+]4CCCCC4)C3)C2)cc1 ZINC000346479007 141203396 /nfs/dbraw/zinc/20/33/96/141203396.db2.gz FMJOXUINLXVNMR-JOCHJYFZSA-N 2 1 341.543 3.460 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C)c1OC ZINC000347891266 141211433 /nfs/dbraw/zinc/21/14/33/141211433.db2.gz YSYSNEVCNFLWQN-QGZVFWFLSA-N 2 1 332.488 3.176 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C)c1OC ZINC000347891266 141211436 /nfs/dbraw/zinc/21/14/36/141211436.db2.gz YSYSNEVCNFLWQN-QGZVFWFLSA-N 2 1 332.488 3.176 20 0 EGADMP COc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(C)c1OC ZINC000347891266 141211437 /nfs/dbraw/zinc/21/14/37/141211437.db2.gz YSYSNEVCNFLWQN-QGZVFWFLSA-N 2 1 332.488 3.176 20 0 EGADMP COc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(C)c1OC ZINC000347891266 141211438 /nfs/dbraw/zinc/21/14/38/141211438.db2.gz YSYSNEVCNFLWQN-QGZVFWFLSA-N 2 1 332.488 3.176 20 0 EGADMP C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347919953 141216629 /nfs/dbraw/zinc/21/66/29/141216629.db2.gz AXZCTIMQDBTXFQ-LSDHHAIUSA-N 2 1 333.451 3.007 20 0 EGADMP C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347919953 141216630 /nfs/dbraw/zinc/21/66/30/141216630.db2.gz AXZCTIMQDBTXFQ-LSDHHAIUSA-N 2 1 333.451 3.007 20 0 EGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cncc(F)c1 ZINC000350562226 141253866 /nfs/dbraw/zinc/25/38/66/141253866.db2.gz ZJGRRZMZYSVOJL-QUCCMNQESA-N 2 1 327.447 3.393 20 0 EGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cncc(F)c1 ZINC000350562226 141253869 /nfs/dbraw/zinc/25/38/69/141253869.db2.gz ZJGRRZMZYSVOJL-QUCCMNQESA-N 2 1 327.447 3.393 20 0 EGADMP CCCn1cc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350561665 141254171 /nfs/dbraw/zinc/25/41/71/141254171.db2.gz YHLHETCMOMUYOB-SFTDATJTSA-N 2 1 340.515 3.465 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000352944045 141274251 /nfs/dbraw/zinc/27/42/51/141274251.db2.gz FJUAOAMQGNWAMH-ROUUACIJSA-N 2 1 341.499 3.423 20 0 EGADMP Cc1cc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c(C)s1 ZINC000352954719 141276660 /nfs/dbraw/zinc/27/66/60/141276660.db2.gz GKIBFDLAGXRJFA-IYBDPMFKSA-N 2 1 335.561 3.355 20 0 EGADMP Cc1cc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c(C)s1 ZINC000352954719 141276661 /nfs/dbraw/zinc/27/66/61/141276661.db2.gz GKIBFDLAGXRJFA-IYBDPMFKSA-N 2 1 335.561 3.355 20 0 EGADMP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000353472351 141304237 /nfs/dbraw/zinc/30/42/37/141304237.db2.gz TULZDDJSNZHVQW-LSTHTHJFSA-N 2 1 343.515 3.491 20 0 EGADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000356272687 141332914 /nfs/dbraw/zinc/33/29/14/141332914.db2.gz WLAMBEDNBKGEEI-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP Fc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)nc1 ZINC000356841465 141352312 /nfs/dbraw/zinc/35/23/12/141352312.db2.gz FVROREVJONNJSZ-LSTHTHJFSA-N 2 1 325.431 3.221 20 0 EGADMP Fc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)nc1 ZINC000356841465 141352314 /nfs/dbraw/zinc/35/23/14/141352314.db2.gz FVROREVJONNJSZ-LSTHTHJFSA-N 2 1 325.431 3.221 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000356846867 141353047 /nfs/dbraw/zinc/35/30/47/141353047.db2.gz JESSLOQILLJQRN-OAHLLOKOSA-N 3 1 335.458 3.257 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356846867 141353048 /nfs/dbraw/zinc/35/30/48/141353048.db2.gz JESSLOQILLJQRN-OAHLLOKOSA-N 3 1 335.458 3.257 20 0 EGADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000358009170 141378830 /nfs/dbraw/zinc/37/88/30/141378830.db2.gz CKEVHSPDTNYPKM-JXFKEZNVSA-N 2 1 326.488 3.043 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOC(c3ccccc3)c3ccccc3)C[C@@H]12 ZINC000351475176 144266486 /nfs/dbraw/zinc/26/64/86/144266486.db2.gz HQNOYIDYPAUUCD-NJDAHSKKSA-N 2 1 336.479 3.462 20 0 EGADMP Cc1cnc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n1C ZINC000341096518 155155223 /nfs/dbraw/zinc/15/52/23/155155223.db2.gz VXQWUQSSXYKCPK-INIZCTEOSA-N 2 1 326.488 3.250 20 0 EGADMP Cc1cnc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)n1C ZINC000341096518 155155229 /nfs/dbraw/zinc/15/52/29/155155229.db2.gz VXQWUQSSXYKCPK-INIZCTEOSA-N 2 1 326.488 3.250 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000341492971 155324090 /nfs/dbraw/zinc/32/40/90/155324090.db2.gz FNZFICMUCPLZCD-LJQANCHMSA-N 2 1 344.547 3.148 20 0 EGADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(F)c(F)c1 ZINC000116397430 152057054 /nfs/dbraw/zinc/05/70/54/152057054.db2.gz TXOPIFYXZNLULZ-BLLLJJGKSA-N 2 1 341.446 3.248 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000118966646 152163071 /nfs/dbraw/zinc/16/30/71/152163071.db2.gz MHKAZKDJMKTZKQ-UHFFFAOYSA-N 2 1 328.460 3.159 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000118966646 152163075 /nfs/dbraw/zinc/16/30/75/152163075.db2.gz MHKAZKDJMKTZKQ-UHFFFAOYSA-N 2 1 328.460 3.159 20 0 EGADMP CCCn1c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)nc2ccccc21 ZINC000119070508 152170476 /nfs/dbraw/zinc/17/04/76/152170476.db2.gz VZBXWQRPDZFFAW-HNNXBMFYSA-N 2 1 325.460 3.377 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000119480200 152209580 /nfs/dbraw/zinc/20/95/80/152209580.db2.gz CGCMDYFCDDDFMY-UHFFFAOYSA-N 2 1 342.487 3.467 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000119480200 152209583 /nfs/dbraw/zinc/20/95/83/152209583.db2.gz CGCMDYFCDDDFMY-UHFFFAOYSA-N 2 1 342.487 3.467 20 0 EGADMP Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OC[C@@H]2CCCO2)c1 ZINC000119750433 152226099 /nfs/dbraw/zinc/22/60/99/152226099.db2.gz SCEDKDJHNFOQLP-QRQLOZEOSA-N 2 1 332.488 3.125 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c(OC[C@@H]2CCCO2)c1 ZINC000119750433 152226105 /nfs/dbraw/zinc/22/61/05/152226105.db2.gz SCEDKDJHNFOQLP-QRQLOZEOSA-N 2 1 332.488 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000341598405 155377023 /nfs/dbraw/zinc/37/70/23/155377023.db2.gz FYTDAWVHPMNANA-ROUUACIJSA-N 2 1 349.544 3.002 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000341598401 155377213 /nfs/dbraw/zinc/37/72/13/155377213.db2.gz FYTDAWVHPMNANA-QZTJIDSGSA-N 2 1 349.544 3.002 20 0 EGADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192925074 153267741 /nfs/dbraw/zinc/26/77/41/153267741.db2.gz GJNVHXVJVDYCIV-LJQANCHMSA-N 2 1 338.451 3.085 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N2CCC(C)CC2)cc1F ZINC000303254290 154039848 /nfs/dbraw/zinc/03/98/48/154039848.db2.gz DSIYWSLHLROZIP-UHFFFAOYSA-N 2 1 329.423 3.076 20 0 EGADMP COc1ccc([C@@H](CNC(=[NH2+])N2CCC(C)CC2)[NH+]2CCCC2)cc1 ZINC000303266634 154041633 /nfs/dbraw/zinc/04/16/33/154041633.db2.gz WDYMKPWPLMVZPX-LJQANCHMSA-N 2 1 344.503 3.088 20 0 EGADMP C[C@]1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000310088347 154138796 /nfs/dbraw/zinc/13/87/96/154138796.db2.gz PHIUMTMIAPRFNO-PCCBWWKXSA-N 2 1 327.516 3.115 20 0 EGADMP C[C@]1(CN[C@H]2CC[NH+]3CCC[C@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000310088347 154138799 /nfs/dbraw/zinc/13/87/99/154138799.db2.gz PHIUMTMIAPRFNO-PCCBWWKXSA-N 2 1 327.516 3.115 20 0 EGADMP C[C@]1(CN[C@H]2CC[NH+]3CCC[C@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310088347 154138802 /nfs/dbraw/zinc/13/88/02/154138802.db2.gz PHIUMTMIAPRFNO-PCCBWWKXSA-N 2 1 327.516 3.115 20 0 EGADMP C[C@]1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000310088347 154138806 /nfs/dbraw/zinc/13/88/06/154138806.db2.gz PHIUMTMIAPRFNO-PCCBWWKXSA-N 3 1 327.516 3.115 20 0 EGADMP C[C@]1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000310088347 154138812 /nfs/dbraw/zinc/13/88/12/154138812.db2.gz PHIUMTMIAPRFNO-PCCBWWKXSA-N 3 1 327.516 3.115 20 0 EGADMP C[C@]1(C[NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000310088347 154138815 /nfs/dbraw/zinc/13/88/15/154138815.db2.gz PHIUMTMIAPRFNO-PCCBWWKXSA-N 3 1 327.516 3.115 20 0 EGADMP C[C@]1(C[NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310088347 154138817 /nfs/dbraw/zinc/13/88/17/154138817.db2.gz PHIUMTMIAPRFNO-PCCBWWKXSA-N 3 1 327.516 3.115 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346814407 156148748 /nfs/dbraw/zinc/14/87/48/156148748.db2.gz BEYKWJXDBUCYMT-SESVDKBCSA-N 2 1 338.499 3.107 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)C[C@H]21 ZINC000346818049 156151423 /nfs/dbraw/zinc/15/14/23/156151423.db2.gz AILZHJNAUOFUKA-UMVBOHGHSA-N 2 1 346.368 3.326 20 0 EGADMP CCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346864682 156170307 /nfs/dbraw/zinc/17/03/07/156170307.db2.gz YXMZATCYESOCJR-LZWOXQAQSA-N 2 1 338.879 3.307 20 0 EGADMP CCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346864682 156170311 /nfs/dbraw/zinc/17/03/11/156170311.db2.gz YXMZATCYESOCJR-LZWOXQAQSA-N 2 1 338.879 3.307 20 0 EGADMP CCC[N@H+](Cc1cc2c(cc1SC)OCCO2)C1CC[NH2+]CC1 ZINC000346999243 156238515 /nfs/dbraw/zinc/23/85/15/156238515.db2.gz FVQBSTFJCNFOQL-UHFFFAOYSA-N 2 1 336.501 3.144 20 0 EGADMP CCC[N@@H+](Cc1cc2c(cc1SC)OCCO2)C1CC[NH2+]CC1 ZINC000346999243 156238518 /nfs/dbraw/zinc/23/85/18/156238518.db2.gz FVQBSTFJCNFOQL-UHFFFAOYSA-N 2 1 336.501 3.144 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000349151664 156368862 /nfs/dbraw/zinc/36/88/62/156368862.db2.gz OGQWYCFDQNJFSA-QHCPKHFHSA-N 2 1 333.501 3.095 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000349151664 156368865 /nfs/dbraw/zinc/36/88/65/156368865.db2.gz OGQWYCFDQNJFSA-QHCPKHFHSA-N 2 1 333.501 3.095 20 0 EGADMP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccnc2)n1 ZINC000362086769 157016121 /nfs/dbraw/zinc/01/61/21/157016121.db2.gz NDEDBJPWWYWTRI-GOSISDBHSA-N 2 1 348.454 3.252 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[NH+](CC)CC ZINC000344211440 286739880 /nfs/dbraw/zinc/73/98/80/286739880.db2.gz BKIJSMCCBARTEE-IRXDYDNUSA-N 2 1 339.911 3.179 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125475912 162273455 /nfs/dbraw/zinc/27/34/55/162273455.db2.gz QDRQKNVYKAIGNZ-JTDSTZFVSA-N 3 1 335.561 3.278 20 0 EGADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125475912 162273456 /nfs/dbraw/zinc/27/34/56/162273456.db2.gz QDRQKNVYKAIGNZ-JTDSTZFVSA-N 2 1 335.561 3.278 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC(F)F ZINC000125609546 162279958 /nfs/dbraw/zinc/27/99/58/162279958.db2.gz VQDCLWFZTAXEBH-YRGRVCCFSA-N 2 1 328.403 3.115 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC(F)F ZINC000125609546 162279960 /nfs/dbraw/zinc/27/99/60/162279960.db2.gz VQDCLWFZTAXEBH-YRGRVCCFSA-N 2 1 328.403 3.115 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000126157321 162295312 /nfs/dbraw/zinc/29/53/12/162295312.db2.gz QDJRRZCTTMUZLE-GOSISDBHSA-N 2 1 347.528 3.048 20 0 EGADMP COc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000248438262 163005715 /nfs/dbraw/zinc/00/57/15/163005715.db2.gz HSBLBLUTRUDSLM-OXQOHEQNSA-N 2 1 340.467 3.113 20 0 EGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1nccs1 ZINC000093396899 287025431 /nfs/dbraw/zinc/02/54/31/287025431.db2.gz XQSYXURDTAMWEN-SJLPKXTDSA-N 2 1 344.528 3.173 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)c(Cl)c1 ZINC000248183255 287022979 /nfs/dbraw/zinc/02/29/79/287022979.db2.gz WWKNNGSIRKIMGC-HIFRSBDPSA-N 2 1 328.859 3.367 20 0 EGADMP CCOc1ccccc1[C@@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343945642 164071201 /nfs/dbraw/zinc/07/12/01/164071201.db2.gz WKSDOIRPUBINPG-MRXNPFEDSA-N 2 1 343.471 3.272 20 0 EGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343949496 164071689 /nfs/dbraw/zinc/07/16/89/164071689.db2.gz YVASAJLUDFZVJH-MRXNPFEDSA-N 2 1 343.471 3.190 20 0 EGADMP CCCC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1 ZINC000343988168 164077614 /nfs/dbraw/zinc/07/76/14/164077614.db2.gz YMDODIJGTRSVLD-HXUWFJFHSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccccc1SC ZINC000344142684 164113553 /nfs/dbraw/zinc/11/35/53/164113553.db2.gz LOXYRALYWQYUKI-UHFFFAOYSA-N 2 1 335.561 3.258 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)NC(C)(C)C ZINC000249761864 287041151 /nfs/dbraw/zinc/04/11/51/287041151.db2.gz NHZGFLJWRVSLNJ-DLBZAZTESA-N 2 1 345.531 3.311 20 0 EGADMP FC(F)COCCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000346492859 164386271 /nfs/dbraw/zinc/38/62/71/164386271.db2.gz MANXQHZSNLYSMC-LJQANCHMSA-N 2 1 338.442 3.256 20 0 EGADMP FC(F)COCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000346492859 164386272 /nfs/dbraw/zinc/38/62/72/164386272.db2.gz MANXQHZSNLYSMC-LJQANCHMSA-N 2 1 338.442 3.256 20 0 EGADMP FC(F)COCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000346492859 164386274 /nfs/dbraw/zinc/38/62/74/164386274.db2.gz MANXQHZSNLYSMC-LJQANCHMSA-N 2 1 338.442 3.256 20 0 EGADMP FC(F)COCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000346492859 164386275 /nfs/dbraw/zinc/38/62/75/164386275.db2.gz MANXQHZSNLYSMC-LJQANCHMSA-N 2 1 338.442 3.256 20 0 EGADMP FC(F)COCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000346492859 164386278 /nfs/dbraw/zinc/38/62/78/164386278.db2.gz MANXQHZSNLYSMC-LJQANCHMSA-N 2 1 338.442 3.256 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000353639683 165840398 /nfs/dbraw/zinc/84/03/98/165840398.db2.gz DQIKOIXDJXUKGU-ZDUSSCGKSA-N 2 1 330.394 3.467 20 0 EGADMP Cc1[nH+]ccc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1Cl ZINC000355677765 166281416 /nfs/dbraw/zinc/28/14/16/166281416.db2.gz UVKNBTDRAAZWIP-KRWDZBQOSA-N 2 1 345.874 3.034 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000355807185 166315428 /nfs/dbraw/zinc/31/54/28/166315428.db2.gz GOBWHVUVLINRKJ-FUHIMQAGSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc(C)c(C)s2)CC1 ZINC000357734758 166759433 /nfs/dbraw/zinc/75/94/33/166759433.db2.gz RUIRKHLERWLSDS-UHFFFAOYSA-N 2 1 325.522 3.083 20 0 EGADMP CC1CC[NH+](CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000359144583 167079846 /nfs/dbraw/zinc/07/98/46/167079846.db2.gz TVIICIDTBUIIHD-PZJWPPBQSA-N 2 1 329.532 3.361 20 0 EGADMP Cc1noc(C)c1C[NH+](CCC1CC[NH2+]CC1)Cc1c(C)noc1C ZINC000359209596 167096524 /nfs/dbraw/zinc/09/65/24/167096524.db2.gz DBCFZTIZBUNEMJ-UHFFFAOYSA-N 2 1 346.475 3.288 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000359311013 167122873 /nfs/dbraw/zinc/12/28/73/167122873.db2.gz KJZJFMBRGSLQJM-AZUAARDMSA-N 2 1 343.515 3.203 20 0 EGADMP COc1cccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000359422453 167152107 /nfs/dbraw/zinc/15/21/07/167152107.db2.gz BMNLQWIGPCDZEP-QGZVFWFLSA-N 2 1 340.467 3.378 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)cc1)C1CC1 ZINC000359472253 167166497 /nfs/dbraw/zinc/16/64/97/167166497.db2.gz KPZSUDKQOVLGJE-SFHVURJKSA-N 2 1 343.515 3.085 20 0 EGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)C1 ZINC000359472253 167166501 /nfs/dbraw/zinc/16/65/01/167166501.db2.gz KPZSUDKQOVLGJE-SFHVURJKSA-N 2 1 343.515 3.085 20 0 EGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)C1 ZINC000359472253 167166503 /nfs/dbraw/zinc/16/65/03/167166503.db2.gz KPZSUDKQOVLGJE-SFHVURJKSA-N 2 1 343.515 3.085 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000360496689 167341157 /nfs/dbraw/zinc/34/11/57/167341157.db2.gz UVTPFJXGRSTKGX-INIZCTEOSA-N 2 1 341.499 3.481 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C[C@@H]3CC=CCC3)cc2)CC1 ZINC000360710707 167394647 /nfs/dbraw/zinc/39/46/47/167394647.db2.gz GTBFJTMBPDRBNF-LJQANCHMSA-N 2 1 327.516 3.270 20 0 EGADMP CC[NH+](CC)CCC[NH+]1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC000365190782 168032839 /nfs/dbraw/zinc/03/28/39/168032839.db2.gz IRRABKVYHUZGRK-IBGZPJMESA-N 2 1 329.488 3.166 20 0 EGADMP Cn1nccc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000365927816 168061098 /nfs/dbraw/zinc/06/10/98/168061098.db2.gz MGJIPNKIQIIIHK-SESVDKBCSA-N 2 1 338.499 3.201 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@]1(F)CC[NH2+]C1)C1CCCCC1 ZINC000366322538 168105947 /nfs/dbraw/zinc/10/59/47/168105947.db2.gz JCNHTDNYKJBICP-LJQANCHMSA-N 2 1 333.451 3.091 20 0 EGADMP C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000367341793 168211450 /nfs/dbraw/zinc/21/14/50/168211450.db2.gz HDVUECODRVPQCO-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)c1cc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)nc(C(C)C)n1 ZINC000367733291 168264617 /nfs/dbraw/zinc/26/46/17/168264617.db2.gz GZJMXHRBROWNBU-JKSUJKDBSA-N 2 1 332.492 3.023 20 0 EGADMP C[N@H+]1CC[C@]2(CCN(Cc3nc4cc(C(F)(F)F)ccc4o3)C2)C1 ZINC000367850021 168277864 /nfs/dbraw/zinc/27/78/64/168277864.db2.gz OKJJNOAFUICCGK-INIZCTEOSA-N 2 1 339.361 3.374 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367904962 168282543 /nfs/dbraw/zinc/28/25/43/168282543.db2.gz SPNVIDQDAJCSKR-GFOJFJKKSA-N 2 1 330.516 3.285 20 0 EGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000177490825 265258148 /nfs/dbraw/zinc/25/81/48/265258148.db2.gz LWMURBWDFFTNOM-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)(C)OC(=O)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000180167455 265398165 /nfs/dbraw/zinc/39/81/65/265398165.db2.gz NSVRZVDZWSWRTK-CEXWTWQISA-N 2 1 344.499 3.218 20 0 EGADMP C[N@@H+]1C[C@H]2CN(Cc3csc(-c4ccc(Cl)cc4)n3)C[C@H]2C1 ZINC000193640764 266049903 /nfs/dbraw/zinc/04/99/03/266049903.db2.gz ZJHAEFMAMKYJKU-OKILXGFUSA-N 2 1 333.888 3.457 20 0 EGADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000224404438 266197328 /nfs/dbraw/zinc/19/73/28/266197328.db2.gz WGMXMHJLUBXRRL-GJZGRUSLSA-N 2 1 327.513 3.142 20 0 EGADMP Cn1c2ccccc2nc1CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000269636976 266331201 /nfs/dbraw/zinc/33/12/01/266331201.db2.gz IZBGGMXXTJYEHY-APWZRJJASA-N 2 1 338.499 3.065 20 0 EGADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000269636976 266331204 /nfs/dbraw/zinc/33/12/04/266331204.db2.gz IZBGGMXXTJYEHY-APWZRJJASA-N 2 1 338.499 3.065 20 0 EGADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269636976 266331206 /nfs/dbraw/zinc/33/12/06/266331206.db2.gz IZBGGMXXTJYEHY-APWZRJJASA-N 2 1 338.499 3.065 20 0 EGADMP C[C@H]([NH2+]Cc1cccc2nsnc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273302684 267016559 /nfs/dbraw/zinc/01/65/59/267016559.db2.gz RPIAWQLRAPMZDJ-DZGCQCFKSA-N 2 1 330.501 3.434 20 0 EGADMP CC(C)[C@H](O)C1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274744088 267279926 /nfs/dbraw/zinc/27/99/26/267279926.db2.gz FXGVAQSKDGBSBH-IHPCNDPISA-N 2 1 330.516 3.284 20 0 EGADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000274939605 267308898 /nfs/dbraw/zinc/30/88/98/267308898.db2.gz AYSQCSZOWMYEKG-MSOLQXFVSA-N 2 1 340.870 3.337 20 0 EGADMP C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274953369 267311377 /nfs/dbraw/zinc/31/13/77/267311377.db2.gz VNHMGPUCMXQCGO-ZKMOHVOUSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274953369 267311378 /nfs/dbraw/zinc/31/13/78/267311378.db2.gz VNHMGPUCMXQCGO-ZKMOHVOUSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275563401 267381731 /nfs/dbraw/zinc/38/17/31/267381731.db2.gz NZTKFYYVOVTCPK-KBPBESRZSA-N 2 1 346.862 3.106 20 0 EGADMP COc1cc2c(c(C[N@H+]3CCCC34CC[NH+](C)CC4)c1)O[C@@H](C)C2 ZINC000368966761 274100077 /nfs/dbraw/zinc/10/00/77/274100077.db2.gz RCCZDMBRPBGOCU-HNNXBMFYSA-N 2 1 330.472 3.079 20 0 EGADMP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000092587884 275154569 /nfs/dbraw/zinc/15/45/69/275154569.db2.gz YLWASHDCIJFRHB-SFHVURJKSA-N 2 1 346.563 3.489 20 0 EGADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000092587884 275154570 /nfs/dbraw/zinc/15/45/70/275154570.db2.gz YLWASHDCIJFRHB-SFHVURJKSA-N 2 1 346.563 3.489 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000237432787 275231589 /nfs/dbraw/zinc/23/15/89/275231589.db2.gz SZJFVNVPMQFVSW-ZDUSSCGKSA-N 2 1 327.457 3.136 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000278804945 275276411 /nfs/dbraw/zinc/27/64/11/275276411.db2.gz ZIWSWMUVRVWKIZ-LSDHHAIUSA-N 2 1 342.430 3.440 20 0 EGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@@H]1CCCOc3cc4c(cc31)CCC4)C2 ZINC000278952682 275290755 /nfs/dbraw/zinc/29/07/55/275290755.db2.gz LNBQCMSHTSRLIW-HNAYVOBHSA-N 2 1 337.467 3.438 20 0 EGADMP CC1(C)CC([NH2+]Cc2ccnn2-c2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000279851143 275365843 /nfs/dbraw/zinc/36/58/43/275365843.db2.gz IOYPHUSNHBCIQA-UHFFFAOYSA-N 2 1 330.451 3.410 20 0 EGADMP C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280040299 275395498 /nfs/dbraw/zinc/39/54/98/275395498.db2.gz ITQJIWOFQZXMSH-QRFRQXIXSA-N 2 1 338.499 3.298 20 0 EGADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000280044109 275396128 /nfs/dbraw/zinc/39/61/28/275396128.db2.gz VPYFHKDZJBKJNC-IMFGXOCKSA-N 2 1 344.499 3.218 20 0 EGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000281504898 275554358 /nfs/dbraw/zinc/55/43/58/275554358.db2.gz GZCNULPFGNQAIV-MSOLQXFVSA-N 2 1 331.504 3.117 20 0 EGADMP CC1(C)[C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C[C@@H]1Oc1ccccc1 ZINC000284185262 275780506 /nfs/dbraw/zinc/78/05/06/275780506.db2.gz FYEBMXXXLIQDFH-NXHRZFHOSA-N 2 1 325.456 3.281 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000349087337 276010367 /nfs/dbraw/zinc/01/03/67/276010367.db2.gz GRXBKOISZPPMFZ-IBGZPJMESA-N 2 1 331.504 3.019 20 0 EGADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000369951940 276060483 /nfs/dbraw/zinc/06/04/83/276060483.db2.gz QIPYYABODWZEMV-XLIONFOSSA-N 2 1 343.515 3.012 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000287600622 276138187 /nfs/dbraw/zinc/13/81/87/276138187.db2.gz DEXUJKNEXLOJGM-UHFFFAOYSA-N 2 1 331.435 3.402 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000287600622 276138189 /nfs/dbraw/zinc/13/81/89/276138189.db2.gz DEXUJKNEXLOJGM-UHFFFAOYSA-N 2 1 331.435 3.402 20 0 EGADMP CCN(C(=O)[C@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000373507907 276301313 /nfs/dbraw/zinc/30/13/13/276301313.db2.gz CUXRDNGOCCSQFU-KVPLUYHFSA-N 2 1 343.515 3.059 20 0 EGADMP Cc1nn(-c2ccccn2)c(Cl)c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000289279618 276315501 /nfs/dbraw/zinc/31/55/01/276315501.db2.gz FYILHINFFRPBRX-UHFFFAOYSA-N 2 1 347.894 3.003 20 0 EGADMP Cc1nn(-c2ccccn2)c(Cl)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000289279618 276315502 /nfs/dbraw/zinc/31/55/02/276315502.db2.gz FYILHINFFRPBRX-UHFFFAOYSA-N 2 1 347.894 3.003 20 0 EGADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000356272692 278188067 /nfs/dbraw/zinc/18/80/67/278188067.db2.gz WLAMBEDNBKGEEI-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]([NH2+]Cc1cn(C)nc1C(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000361124925 278359252 /nfs/dbraw/zinc/35/92/52/278359252.db2.gz VHUIPALNWFUBSJ-CHWSQXEVSA-N 2 1 326.435 3.100 20 0 EGADMP C[C@@H]([NH2+]Cc1cn(C)nc1C(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000361124925 278359253 /nfs/dbraw/zinc/35/92/53/278359253.db2.gz VHUIPALNWFUBSJ-CHWSQXEVSA-N 2 1 326.435 3.100 20 0 EGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[NH+](C)C ZINC000359474236 302205037 /nfs/dbraw/zinc/20/50/37/302205037.db2.gz RQERUNPQNFQPIQ-LNLFQRSKSA-N 2 1 348.535 3.014 20 0 EGADMP CO[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(C)(C)C ZINC000154937211 307803995 /nfs/dbraw/zinc/80/39/95/307803995.db2.gz ZZXQSFDHSMPAGJ-LJQANCHMSA-N 2 1 336.495 3.483 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCSCC1 ZINC000414272137 309069840 /nfs/dbraw/zinc/06/98/40/309069840.db2.gz RJNRTRKEKBDZAY-IEBWSBKVSA-N 2 1 334.529 3.009 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCSCC1 ZINC000414272137 309069841 /nfs/dbraw/zinc/06/98/41/309069841.db2.gz RJNRTRKEKBDZAY-IEBWSBKVSA-N 2 1 334.529 3.009 20 0 EGADMP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)[C@H](C)O1 ZINC000414283612 309070504 /nfs/dbraw/zinc/07/05/04/309070504.db2.gz PHRNMMMZIBPXHK-SOLBZPMBSA-N 2 1 334.479 3.236 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H](O)C(C)C ZINC000414296027 309071087 /nfs/dbraw/zinc/07/10/87/309071087.db2.gz OBMOYDQNPARQQL-WOJBJXKFSA-N 2 1 336.495 3.218 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H](O)C(C)C ZINC000414296024 309071102 /nfs/dbraw/zinc/07/11/02/309071102.db2.gz OBMOYDQNPARQQL-PMACEKPBSA-N 2 1 336.495 3.218 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)CCCC2 ZINC000248180813 308000034 /nfs/dbraw/zinc/00/00/34/308000034.db2.gz WJSOYQBHGFKPMN-UWJYYQICSA-N 2 1 330.516 3.453 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248589086 308006489 /nfs/dbraw/zinc/00/64/89/308006489.db2.gz QSLGJIYQOHRPPK-FCGDIQPGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248589086 308006490 /nfs/dbraw/zinc/00/64/90/308006490.db2.gz QSLGJIYQOHRPPK-FCGDIQPGSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)(C)[C@H](CCO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248859215 308013457 /nfs/dbraw/zinc/01/34/57/308013457.db2.gz FQTJVTYERRLDQV-NMLBUPMWSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000249177561 308020536 /nfs/dbraw/zinc/02/05/36/308020536.db2.gz GCEKKLMIBNLNPS-HKBOAZHASA-N 2 1 330.516 3.323 20 0 EGADMP CCc1ccc2c(CN3CC[C@@]4(C3)CCC[N@@H+](C)C4)cc(=O)oc2c1 ZINC000292926743 308080809 /nfs/dbraw/zinc/08/08/09/308080809.db2.gz IQCZASQETQSQBL-NRFANRHFSA-N 2 1 340.467 3.273 20 0 EGADMP CCc1ccc2c(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)cc(=O)oc2c1 ZINC000292926743 308080810 /nfs/dbraw/zinc/08/08/10/308080810.db2.gz IQCZASQETQSQBL-NRFANRHFSA-N 2 1 340.467 3.273 20 0 EGADMP CCc1ccc2c(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)cc(=O)oc2c1 ZINC000292926743 308080811 /nfs/dbraw/zinc/08/08/11/308080811.db2.gz IQCZASQETQSQBL-NRFANRHFSA-N 2 1 340.467 3.273 20 0 EGADMP CCc1ccc2c(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)cc(=O)oc2c1 ZINC000292926743 308080812 /nfs/dbraw/zinc/08/08/12/308080812.db2.gz IQCZASQETQSQBL-NRFANRHFSA-N 2 1 340.467 3.273 20 0 EGADMP CCc1ccc2c(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)cc(=O)oc2c1 ZINC000292926743 308080813 /nfs/dbraw/zinc/08/08/13/308080813.db2.gz IQCZASQETQSQBL-NRFANRHFSA-N 2 1 340.467 3.273 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(-c2cnn(C)c2)c1 ZINC000293719283 308155779 /nfs/dbraw/zinc/15/57/79/308155779.db2.gz TWFLPDRDJKRWQK-NRFANRHFSA-N 2 1 338.499 3.313 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(-c2cnn(C)c2)c1 ZINC000293719283 308155781 /nfs/dbraw/zinc/15/57/81/308155781.db2.gz TWFLPDRDJKRWQK-NRFANRHFSA-N 2 1 338.499 3.313 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(-c2cnn(C)c2)c1 ZINC000293719283 308155783 /nfs/dbraw/zinc/15/57/83/308155783.db2.gz TWFLPDRDJKRWQK-NRFANRHFSA-N 2 1 338.499 3.313 20 0 EGADMP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000294713296 308248806 /nfs/dbraw/zinc/24/88/06/308248806.db2.gz HKDQKSCIVDEQPM-AEFFLSMTSA-N 2 1 343.496 3.010 20 0 EGADMP CC(C)c1nc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n[nH]1 ZINC000294769536 308254758 /nfs/dbraw/zinc/25/47/58/308254758.db2.gz KAJPOTGITPVURV-RDJZCZTQSA-N 2 1 327.476 3.071 20 0 EGADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000294992990 308279706 /nfs/dbraw/zinc/27/97/06/308279706.db2.gz QOZGVPRDASIPGH-CEWLAPEOSA-N 2 1 328.500 3.193 20 0 EGADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000294992990 308279708 /nfs/dbraw/zinc/27/97/08/308279708.db2.gz QOZGVPRDASIPGH-CEWLAPEOSA-N 2 1 328.500 3.193 20 0 EGADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000294992990 308279709 /nfs/dbraw/zinc/27/97/09/308279709.db2.gz QOZGVPRDASIPGH-CEWLAPEOSA-N 2 1 328.500 3.193 20 0 EGADMP C[N@@H+](CCN1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Cc1ccccc1 ZINC000295009651 308281370 /nfs/dbraw/zinc/28/13/70/308281370.db2.gz SJCBHLUPXWVEMY-TZIWHRDSSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+](CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Cc1ccccc1 ZINC000295009651 308281372 /nfs/dbraw/zinc/28/13/72/308281372.db2.gz SJCBHLUPXWVEMY-TZIWHRDSSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+](CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Cc1ccccc1 ZINC000295009651 308281374 /nfs/dbraw/zinc/28/13/74/308281374.db2.gz SJCBHLUPXWVEMY-TZIWHRDSSA-N 2 1 327.516 3.067 20 0 EGADMP CSc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000295076339 308288512 /nfs/dbraw/zinc/28/85/12/308288512.db2.gz SPVDMFMPFSXXCP-OHQAAIJDSA-N 2 1 335.561 3.330 20 0 EGADMP CSc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000295076339 308288514 /nfs/dbraw/zinc/28/85/14/308288514.db2.gz SPVDMFMPFSXXCP-OHQAAIJDSA-N 2 1 335.561 3.330 20 0 EGADMP CSc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000295076339 308288516 /nfs/dbraw/zinc/28/85/16/308288516.db2.gz SPVDMFMPFSXXCP-OHQAAIJDSA-N 2 1 335.561 3.330 20 0 EGADMP COc1nccc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)n1 ZINC000295259609 308308158 /nfs/dbraw/zinc/30/81/58/308308158.db2.gz UXLHCYQTQZLPKE-UHFFFAOYSA-N 2 1 340.471 3.151 20 0 EGADMP Cc1cccc([C@H]2CCCCC[N@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)c1 ZINC000414699181 309096132 /nfs/dbraw/zinc/09/61/32/309096132.db2.gz JMRWRXUMMSZNJU-UYAOXDASSA-N 2 1 343.515 3.109 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC[NH2+]1 ZINC000414709371 309096629 /nfs/dbraw/zinc/09/66/29/309096629.db2.gz JWBYFZONYRSEIC-CKEIUWERSA-N 2 1 342.405 3.467 20 0 EGADMP CCCC[NH+]1CCC(NC(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000297100116 308498874 /nfs/dbraw/zinc/49/88/74/308498874.db2.gz WHUFHLYKXWRLPJ-UHFFFAOYSA-N 2 1 329.448 3.029 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744349 309098438 /nfs/dbraw/zinc/09/84/38/309098438.db2.gz PLXMVWAJRXBMCQ-HJNYFJLDSA-N 3 1 341.543 3.363 20 0 EGADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744349 309098439 /nfs/dbraw/zinc/09/84/39/309098439.db2.gz PLXMVWAJRXBMCQ-HJNYFJLDSA-N 3 1 341.543 3.363 20 0 EGADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744349 309098440 /nfs/dbraw/zinc/09/84/40/309098440.db2.gz PLXMVWAJRXBMCQ-HJNYFJLDSA-N 3 1 341.543 3.363 20 0 EGADMP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744349 309098441 /nfs/dbraw/zinc/09/84/41/309098441.db2.gz PLXMVWAJRXBMCQ-HJNYFJLDSA-N 2 1 341.543 3.363 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744349 309098442 /nfs/dbraw/zinc/09/84/42/309098442.db2.gz PLXMVWAJRXBMCQ-HJNYFJLDSA-N 2 1 341.543 3.363 20 0 EGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccc(F)cc2Br)CC[NH2+]1 ZINC000414756000 309099029 /nfs/dbraw/zinc/09/90/29/309099029.db2.gz IPNQISMUOMZLSU-NWDGAFQWSA-N 2 1 329.257 3.408 20 0 EGADMP COc1ccc(C[N@@H+](CC2CC2)C[C@H]2CC[NH2+][C@@H](C)C2)c(OC)c1 ZINC000414758620 309099123 /nfs/dbraw/zinc/09/91/23/309099123.db2.gz VCTXFKUWHONGKP-RDJZCZTQSA-N 2 1 332.488 3.304 20 0 EGADMP Fc1ccc(Br)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414776695 309100335 /nfs/dbraw/zinc/10/03/35/309100335.db2.gz HLFXLZKIESYOEK-OLZOCXBDSA-N 2 1 341.268 3.410 20 0 EGADMP CCCn1c2ccccc2nc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414782890 309100858 /nfs/dbraw/zinc/10/08/58/309100858.db2.gz PFOKCTFTJLRWBC-SJORKVTESA-N 2 1 326.488 3.268 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414787681 309101129 /nfs/dbraw/zinc/10/11/29/309101129.db2.gz VTSMUDLMENTIAT-IRXDYDNUSA-N 2 1 342.462 3.141 20 0 EGADMP O=C(Nc1cccc(C[NH2+]C2CC[NH2+]CC2)c1)c1ccccc1Cl ZINC000414793367 309101845 /nfs/dbraw/zinc/10/18/45/309101845.db2.gz UNWLBOOGVFAQKB-UHFFFAOYSA-N 2 1 343.858 3.434 20 0 EGADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1OCc1ccccc1 ZINC000414803245 309102391 /nfs/dbraw/zinc/10/23/91/309102391.db2.gz NKCIJEVZAXUKID-SFHVURJKSA-N 2 1 326.440 3.101 20 0 EGADMP CCOc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc(Cl)c1O ZINC000298697492 308633586 /nfs/dbraw/zinc/63/35/86/308633586.db2.gz NSJOUNRMEDYQIT-UHFFFAOYSA-N 2 1 338.879 3.408 20 0 EGADMP CC(C)c1ccc([C@H]([NH3+])CNCc2ncc(C[NH+](C)C)s2)cc1 ZINC000414821481 309103859 /nfs/dbraw/zinc/10/38/59/309103859.db2.gz CGMKZEQVSGXZLE-QGZVFWFLSA-N 2 1 332.517 3.118 20 0 EGADMP COc1cc(C[NH2+][C@H](C[NH3+])CC(C)C)ccc1OCC(F)(F)F ZINC000414852694 309105613 /nfs/dbraw/zinc/10/56/13/309105613.db2.gz RFKLXTGLEXBRLR-ZDUSSCGKSA-N 2 1 334.382 3.099 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c(Cl)c1 ZINC000414856124 309105891 /nfs/dbraw/zinc/10/58/91/309105891.db2.gz YHYCLOGCEKFBTO-KBPBESRZSA-N 2 1 325.884 3.329 20 0 EGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c(C)c1 ZINC000414936592 309110078 /nfs/dbraw/zinc/11/00/78/309110078.db2.gz WSLQVOIWCCRPQF-AEFFLSMTSA-N 2 1 331.504 3.388 20 0 EGADMP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414951023 309110867 /nfs/dbraw/zinc/11/08/67/309110867.db2.gz PLQTZKHBZZQMKI-GXTWGEPZSA-N 2 1 326.868 3.368 20 0 EGADMP CCCOc1ccc(Br)cc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414958224 309111558 /nfs/dbraw/zinc/11/15/58/309111558.db2.gz WKAQJISEWFBBER-DOMZBBRYSA-N 2 1 341.293 3.468 20 0 EGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2cccc3c2OCO3)cc1 ZINC000414994391 309113134 /nfs/dbraw/zinc/11/31/34/309113134.db2.gz DKROQZDGQWZNGT-AEFFLSMTSA-N 2 1 342.414 3.037 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)[C@H](C)[NH3+] ZINC000415016761 309114602 /nfs/dbraw/zinc/11/46/02/309114602.db2.gz OSPASGIXPFMUFV-JGVFFNPUSA-N 2 1 341.171 3.173 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1Cl ZINC000415073074 309118234 /nfs/dbraw/zinc/11/82/34/309118234.db2.gz YZOYDMPFMKTIBX-GUYCJALGSA-N 2 1 337.895 3.473 20 0 EGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000415075121 309118451 /nfs/dbraw/zinc/11/84/51/309118451.db2.gz BBWGAPOYQRKWQR-HKUYNNGSSA-N 3 1 333.520 3.027 20 0 EGADMP CC(C)c1[nH+]ccn1CCc1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000417270509 309199890 /nfs/dbraw/zinc/19/98/90/309199890.db2.gz NYXFKYAPQAQKTA-UHFFFAOYSA-N 2 1 339.443 3.361 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccccc2C(=O)N(C)C)C1 ZINC000417870945 309226102 /nfs/dbraw/zinc/22/61/02/309226102.db2.gz MFPLUCCSUFITTO-HDICACEKSA-N 2 1 345.531 3.236 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000417908490 309227980 /nfs/dbraw/zinc/22/79/80/309227980.db2.gz BRCVUSJLRZNHBP-LPHOPBHVSA-N 2 1 346.519 3.016 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420286179 309279379 /nfs/dbraw/zinc/27/93/79/309279379.db2.gz FTSISYFFVWAAQG-KBPBESRZSA-N 2 1 330.428 3.169 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420286179 309279380 /nfs/dbraw/zinc/27/93/80/309279380.db2.gz FTSISYFFVWAAQG-KBPBESRZSA-N 2 1 330.428 3.169 20 0 EGADMP CCC[N@@H+](Cc1ccc2oc(C(=O)OC)cc2c1)C1CC[NH2+]CC1 ZINC000420316877 309281398 /nfs/dbraw/zinc/28/13/98/309281398.db2.gz MMGVDPWXCAAVOT-UHFFFAOYSA-N 2 1 330.428 3.183 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000420319419 309281803 /nfs/dbraw/zinc/28/18/03/309281803.db2.gz PHGDXNWVWYVXCM-HZPDHXFCSA-N 2 1 331.485 3.074 20 0 EGADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332711 309282775 /nfs/dbraw/zinc/28/27/75/309282775.db2.gz SEHZPHKJLNSVCF-MGPQQGTHSA-N 2 1 332.473 3.181 20 0 EGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420333140 309282786 /nfs/dbraw/zinc/28/27/86/309282786.db2.gz SLRAPOJYYUOGAM-UKRRQHHQSA-N 2 1 340.414 3.036 20 0 EGADMP Fc1ccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420337858 309283062 /nfs/dbraw/zinc/28/30/62/309283062.db2.gz XHOKUPHYQLDNNH-ZIAGYGMSSA-N 2 1 326.843 3.179 20 0 EGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420339457 309283165 /nfs/dbraw/zinc/28/31/65/309283165.db2.gz YZNSPUWZGGBLEZ-CZUORRHYSA-N 2 1 342.405 3.454 20 0 EGADMP Fc1ccc(-c2cc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000420338398 309283188 /nfs/dbraw/zinc/28/31/88/309283188.db2.gz XXRIUGMJGIHDMY-HZPDHXFCSA-N 2 1 329.419 3.302 20 0 EGADMP c1sc(Nc2ccccc2)nc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420341708 309283374 /nfs/dbraw/zinc/28/33/74/309283374.db2.gz VLFHHYKRAUJVTC-SFHVURJKSA-N 2 1 342.512 3.273 20 0 EGADMP Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000420346404 309283610 /nfs/dbraw/zinc/28/36/10/309283610.db2.gz WVWPPXSMBGSHQR-OAGGEKHMSA-N 2 1 326.444 3.037 20 0 EGADMP [NH3+]C[C@@H]([NH2+]CCCc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000420358034 309283968 /nfs/dbraw/zinc/28/39/68/309283968.db2.gz IUNYWOVQBQKXEK-QGZVFWFLSA-N 2 1 328.460 3.166 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2Cc3ccccc3OC[C@@H]2C)cc1 ZINC000420367629 309284481 /nfs/dbraw/zinc/28/44/81/309284481.db2.gz HGHKCPQKTMVBIN-MAUKXSAKSA-N 2 1 326.440 3.021 20 0 EGADMP CCCCc1nc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cs1 ZINC000420381440 309285448 /nfs/dbraw/zinc/28/54/48/309285448.db2.gz PAQZBYMKBIMFKA-FUHWJXTLSA-N 2 1 337.533 3.204 20 0 EGADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420384285 309285476 /nfs/dbraw/zinc/28/54/76/309285476.db2.gz RLYRMJPUHFEGLM-IRXDYDNUSA-N 2 1 333.867 3.178 20 0 EGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000420381784 309285633 /nfs/dbraw/zinc/28/56/33/309285633.db2.gz ZKBJURLJHBAXTI-OHUAYANFSA-N 2 1 344.286 3.298 20 0 EGADMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000420392143 309285982 /nfs/dbraw/zinc/28/59/82/309285982.db2.gz UITFBRUORAZKOX-UHFFFAOYSA-N 2 1 341.455 3.349 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000420982853 309305604 /nfs/dbraw/zinc/30/56/04/309305604.db2.gz POMORRQBCOLVBG-UHFFFAOYSA-N 2 1 335.923 3.332 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCSc3ccccc3)CC2)CC1 ZINC000420978606 309305807 /nfs/dbraw/zinc/30/58/07/309305807.db2.gz JFMAWVMWHABOQU-UHFFFAOYSA-N 2 1 347.572 3.271 20 0 EGADMP CCc1ccccc1C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420985520 309305954 /nfs/dbraw/zinc/30/59/54/309305954.db2.gz WCRTUPBITFWTKY-UHFFFAOYSA-N 2 1 329.532 3.241 20 0 EGADMP COC1([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCOCC1 ZINC000421399269 309322885 /nfs/dbraw/zinc/32/28/85/309322885.db2.gz HRRFIYZPLAAOJW-HZPDHXFCSA-N 2 1 343.471 3.415 20 0 EGADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000421835033 309342521 /nfs/dbraw/zinc/34/25/21/309342521.db2.gz PILLMGCJEITKBP-ZBFHGGJFSA-N 2 1 340.895 3.236 20 0 EGADMP COC1([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CCCCC1 ZINC000421844507 309342970 /nfs/dbraw/zinc/34/29/70/309342970.db2.gz UDKYKWYZNYIZQG-XLIONFOSSA-N 2 1 346.515 3.081 20 0 EGADMP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc(Cl)c1OC ZINC000422559202 309361497 /nfs/dbraw/zinc/36/14/97/309361497.db2.gz CQYBUGWWRWKIQK-DYEKYZERSA-N 2 1 326.868 3.162 20 0 EGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc(Cl)c1OC ZINC000422559202 309361498 /nfs/dbraw/zinc/36/14/98/309361498.db2.gz CQYBUGWWRWKIQK-DYEKYZERSA-N 2 1 326.868 3.162 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422636683 309363201 /nfs/dbraw/zinc/36/32/01/309363201.db2.gz NLWIVKDPYSSCDA-KFWWJZLASA-N 2 1 335.517 3.042 20 0 EGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422716166 309364740 /nfs/dbraw/zinc/36/47/40/309364740.db2.gz MZLXWVJFQWHWGK-IAGOWNOFSA-N 2 1 327.428 3.282 20 0 EGADMP COc1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1OC1CCCC1 ZINC000422726482 309365265 /nfs/dbraw/zinc/36/52/65/309365265.db2.gz DZIFJOHGQMLPKL-QAPCUYQASA-N 2 1 332.488 3.494 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](c1c(F)cccc1F)N(C)C ZINC000422745340 309366237 /nfs/dbraw/zinc/36/62/37/309366237.db2.gz MDJFWIIBRRUQSX-GDIGMMSISA-N 2 1 347.453 3.116 20 0 EGADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCCCC[C@H]3N)CC2)cc1 ZINC000422781671 309368066 /nfs/dbraw/zinc/36/80/66/309368066.db2.gz MEIQCSCDTDPAHI-NHCUHLMSSA-N 2 1 345.531 3.157 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2c(F)cccc2Cl)c2ccccc21 ZINC000422798248 309368991 /nfs/dbraw/zinc/36/89/91/309368991.db2.gz QHWMUIRCYAGSEK-GESALYCCSA-N 2 1 348.849 3.365 20 0 EGADMP c1ccc([C@@H]2C[C@@H](N[C@@H]3CC[N@H+](CC4CCCC4)C3)CC[NH2+]2)cc1 ZINC000422799728 309369026 /nfs/dbraw/zinc/36/90/26/309369026.db2.gz YETYHCBNHROVPZ-HBMCJLEFSA-N 2 1 327.516 3.334 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422839608 309371311 /nfs/dbraw/zinc/37/13/11/309371311.db2.gz QVLAXJUKECPMNB-ZWOKBUDYSA-N 2 1 332.536 3.400 20 0 EGADMP COc1ccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1NC(C)=O ZINC000422847843 309371757 /nfs/dbraw/zinc/37/17/57/309371757.db2.gz SEUNSULGYJZIPQ-WMLDXEAASA-N 2 1 333.476 3.054 20 0 EGADMP FC(F)(F)CN1CCC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422854556 309372166 /nfs/dbraw/zinc/37/21/66/309372166.db2.gz BBYQBYFDAUGPJU-SJORKVTESA-N 2 1 341.421 3.096 20 0 EGADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)o1 ZINC000422885989 309373981 /nfs/dbraw/zinc/37/39/81/309373981.db2.gz ZVYWGMNTXUBWEY-HCXYKTFWSA-N 2 1 331.504 3.235 20 0 EGADMP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(Sc2ccccc2)CCCC1 ZINC000422910446 309375913 /nfs/dbraw/zinc/37/59/13/309375913.db2.gz QKYSBAYWLBSMNY-IAGOWNOFSA-N 2 1 334.529 3.448 20 0 EGADMP COc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000422930793 309376673 /nfs/dbraw/zinc/37/66/73/309376673.db2.gz VXLJTAZPTBOEKH-ICSRJNTNSA-N 2 1 342.414 3.180 20 0 EGADMP CC[C@H]([NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000422950514 309377637 /nfs/dbraw/zinc/37/76/37/309377637.db2.gz WESYSVVWOLMNMD-SNRMKQJTSA-N 2 1 340.467 3.457 20 0 EGADMP Fc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000423081120 309385015 /nfs/dbraw/zinc/38/50/15/309385015.db2.gz BFECNBDINVZNKO-JUSBFGHESA-N 2 1 332.463 3.209 20 0 EGADMP CC(C)Oc1ccc([C@H](C[NH2+][C@H](C)c2c[nH+]ccc2N)N(C)C)cc1 ZINC000423124524 309386954 /nfs/dbraw/zinc/38/69/54/309386954.db2.gz MQQBPQFIZYERCV-QRWLVFNGSA-N 2 1 342.487 3.235 20 0 EGADMP Clc1cccc(CC2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CC2)c1 ZINC000423173115 309389119 /nfs/dbraw/zinc/38/91/19/309389119.db2.gz WYMXAAKFLYYLHT-IPMKNSEASA-N 2 1 348.918 3.409 20 0 EGADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423190177 309389699 /nfs/dbraw/zinc/38/96/99/309389699.db2.gz SBUODJCLSLLMKT-VIFPVBQESA-N 2 1 336.329 3.292 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423298156 309394422 /nfs/dbraw/zinc/39/44/22/309394422.db2.gz NITYCNSYPNRMOY-RDJZCZTQSA-N 2 1 330.476 3.167 20 0 EGADMP [NH3+][C@H](C[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl)C1CC1 ZINC000423313813 309394849 /nfs/dbraw/zinc/39/48/49/309394849.db2.gz GBWABPSBCBALEK-ZIAGYGMSSA-N 2 1 329.669 3.417 20 0 EGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)C2CCSCC2)cc1 ZINC000423317982 309394890 /nfs/dbraw/zinc/39/48/90/309394890.db2.gz BLNCPQCFMFBROR-CCKFTAQKSA-N 2 1 334.529 3.262 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC[NH2+]1 ZINC000423381721 309397971 /nfs/dbraw/zinc/39/79/71/309397971.db2.gz NXZWCZCRAGLTIQ-GHRYLNIYSA-N 2 1 327.516 3.160 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC[NH2+]1 ZINC000423381721 309397972 /nfs/dbraw/zinc/39/79/72/309397972.db2.gz NXZWCZCRAGLTIQ-GHRYLNIYSA-N 3 1 327.516 3.160 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC[NH2+]1 ZINC000423381721 309397973 /nfs/dbraw/zinc/39/79/73/309397973.db2.gz NXZWCZCRAGLTIQ-GHRYLNIYSA-N 3 1 327.516 3.160 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000439079641 309825909 /nfs/dbraw/zinc/82/59/09/309825909.db2.gz VBLFZCCAABUARR-MRXNPFEDSA-N 2 1 347.503 3.426 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000439083393 309825958 /nfs/dbraw/zinc/82/59/58/309825958.db2.gz CLQOKKFSALWLRF-CVEARBPZSA-N 2 1 347.503 3.426 20 0 EGADMP C[NH+]1CCC([NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449063551 310033992 /nfs/dbraw/zinc/03/39/92/310033992.db2.gz QHTXVHPKKKSPDX-UHFFFAOYSA-N 2 1 334.261 3.181 20 0 EGADMP COCC[NH+]1CCC([NH2+]Cc2cccc3c(OC)cccc23)CC1 ZINC000449106580 310037466 /nfs/dbraw/zinc/03/74/66/310037466.db2.gz MLWLTVZQHXLIRM-UHFFFAOYSA-N 2 1 328.456 3.049 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnn2C2CCCC2)[C@@H](C)C1 ZINC000449141347 310039799 /nfs/dbraw/zinc/03/97/99/310039799.db2.gz PUZAOQLJIJCJMT-FXAWDEMLSA-N 2 1 348.535 3.225 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccnn2C2CCCC2)[C@@H](C)C1 ZINC000449141347 310039800 /nfs/dbraw/zinc/03/98/00/310039800.db2.gz PUZAOQLJIJCJMT-FXAWDEMLSA-N 2 1 348.535 3.225 20 0 EGADMP CSCC1CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000449164814 310041528 /nfs/dbraw/zinc/04/15/28/310041528.db2.gz RHLSXKZOVNYBRN-SOAGJPPSSA-N 2 1 348.556 3.135 20 0 EGADMP CSCC1CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000449164814 310041529 /nfs/dbraw/zinc/04/15/29/310041529.db2.gz RHLSXKZOVNYBRN-SOAGJPPSSA-N 2 1 348.556 3.135 20 0 EGADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000449449600 310062674 /nfs/dbraw/zinc/06/26/74/310062674.db2.gz MANGONUAQPXTFU-RSPOEFSDSA-N 2 1 330.516 3.426 20 0 EGADMP FCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCOCC1 ZINC000449488023 310066304 /nfs/dbraw/zinc/06/63/04/310066304.db2.gz BUTGMAVSGKURBE-VAMGGRTRSA-N 2 1 346.490 3.253 20 0 EGADMP O[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000449588515 310074080 /nfs/dbraw/zinc/07/40/80/310074080.db2.gz KYQDZHFEGQRDFH-WRTQPQOASA-N 2 1 328.500 3.038 20 0 EGADMP C[C@H](NCC[N@H+]1CCCC1(C)C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449780526 310086761 /nfs/dbraw/zinc/08/67/61/310086761.db2.gz GFSKAAQRFXXVGL-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](NCC[NH+]1CCCC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449780526 310086762 /nfs/dbraw/zinc/08/67/62/310086762.db2.gz GFSKAAQRFXXVGL-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](NCC[NH+]1CCCC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449780526 310086763 /nfs/dbraw/zinc/08/67/63/310086763.db2.gz GFSKAAQRFXXVGL-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP CC(C)C[C@H](C)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450645689 310134798 /nfs/dbraw/zinc/13/47/98/310134798.db2.gz GGCDVYLMDKBYJJ-OKZBNKHCSA-N 2 1 326.525 3.011 20 0 EGADMP CC(C)C[C@H](C)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450645689 310134799 /nfs/dbraw/zinc/13/47/99/310134799.db2.gz GGCDVYLMDKBYJJ-OKZBNKHCSA-N 2 1 326.525 3.011 20 0 EGADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451301478 310170371 /nfs/dbraw/zinc/17/03/71/310170371.db2.gz CPSFXCDDZCQBCF-JKSUJKDBSA-N 2 1 330.394 3.203 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451301478 310170372 /nfs/dbraw/zinc/17/03/72/310170372.db2.gz CPSFXCDDZCQBCF-JKSUJKDBSA-N 2 1 330.394 3.203 20 0 EGADMP C(C[NH+]1CCSC[C@@H]1C1CC1)C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451656254 310191461 /nfs/dbraw/zinc/19/14/61/310191461.db2.gz SQMOQSJTAVYTGV-CALCHBBNSA-N 2 1 326.575 3.031 20 0 EGADMP C(C[NH+]1CCSC[C@@H]1C1CC1)C[N@H+]1CCSC[C@H]1C1CC1 ZINC000451656254 310191462 /nfs/dbraw/zinc/19/14/62/310191462.db2.gz SQMOQSJTAVYTGV-CALCHBBNSA-N 2 1 326.575 3.031 20 0 EGADMP C(C[NH+]1CCSC[C@H]1C1CC1)C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451656254 310191463 /nfs/dbraw/zinc/19/14/63/310191463.db2.gz SQMOQSJTAVYTGV-CALCHBBNSA-N 2 1 326.575 3.031 20 0 EGADMP C(C[NH+]1CCSC[C@H]1C1CC1)C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451656254 310191464 /nfs/dbraw/zinc/19/14/64/310191464.db2.gz SQMOQSJTAVYTGV-CALCHBBNSA-N 2 1 326.575 3.031 20 0 EGADMP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000453068230 310255576 /nfs/dbraw/zinc/25/55/76/310255576.db2.gz XZNQZCCVYUBVJQ-ROUUACIJSA-N 2 1 338.499 3.429 20 0 EGADMP Cc1cc([C@@H](C)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000453109765 310258545 /nfs/dbraw/zinc/25/85/45/310258545.db2.gz AQZNQURXPJTXLX-APWZRJJASA-N 2 1 330.497 3.344 20 0 EGADMP Cc1cc([C@@H](C)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000453109765 310258546 /nfs/dbraw/zinc/25/85/46/310258546.db2.gz AQZNQURXPJTXLX-APWZRJJASA-N 2 1 330.497 3.344 20 0 EGADMP COC1([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC000453118113 310259116 /nfs/dbraw/zinc/25/91/16/310259116.db2.gz ALAIJRMWUPBPFQ-BJLQDIEVSA-N 2 1 346.515 3.213 20 0 EGADMP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC000453118113 310259117 /nfs/dbraw/zinc/25/91/17/310259117.db2.gz ALAIJRMWUPBPFQ-BJLQDIEVSA-N 2 1 346.515 3.213 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cs1 ZINC000453194768 310263355 /nfs/dbraw/zinc/26/33/55/310263355.db2.gz ICACOMVRXUGNSY-BEFAXECRSA-N 2 1 330.497 3.474 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000453213921 310264341 /nfs/dbraw/zinc/26/43/41/310264341.db2.gz MSAAUFPGFNDHEO-YLJYHZDGSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000453213921 310264342 /nfs/dbraw/zinc/26/43/42/310264342.db2.gz MSAAUFPGFNDHEO-YLJYHZDGSA-N 2 1 338.499 3.298 20 0 EGADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453237311 310265931 /nfs/dbraw/zinc/26/59/31/310265931.db2.gz VDICGSLMNIHQIK-BQJUDKOJSA-N 2 1 330.516 3.284 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ncccc2C)[C@@H](C)C1 ZINC000453306963 310270202 /nfs/dbraw/zinc/27/02/02/310270202.db2.gz KWDGZYALQJQDJV-AZUAARDMSA-N 2 1 333.520 3.049 20 0 EGADMP CC1(C)C[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000453439786 310277251 /nfs/dbraw/zinc/27/72/51/310277251.db2.gz VZZFJNDZAALVFV-IBGZPJMESA-N 2 1 330.516 3.488 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453604328 310283994 /nfs/dbraw/zinc/28/39/94/310283994.db2.gz ZFNYASMHUOORAZ-UHFFFAOYSA-N 2 1 326.488 3.453 20 0 EGADMP CO[C@@]1(C)C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1(C)C ZINC000462103400 310595632 /nfs/dbraw/zinc/59/56/32/310595632.db2.gz FGHWRSBBKOYXPF-FPOVZHCZSA-N 2 1 330.516 3.487 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCOCC1 ZINC000462103462 310595655 /nfs/dbraw/zinc/59/56/55/310595655.db2.gz FXCNXNVCFACNJO-OAQYLSRUSA-N 2 1 330.516 3.488 20 0 EGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000488408284 311064223 /nfs/dbraw/zinc/06/42/23/311064223.db2.gz HDVGCVGHEZQBJL-ICSRJNTNSA-N 2 1 328.500 3.182 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000488408284 311064225 /nfs/dbraw/zinc/06/42/25/311064225.db2.gz HDVGCVGHEZQBJL-ICSRJNTNSA-N 2 1 328.500 3.182 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CS[C@@H](C(C)C)C2)[C@H](C)C1 ZINC000488449106 311066078 /nfs/dbraw/zinc/06/60/78/311066078.db2.gz MUHFFIGHABVZRT-VSZNYVQBSA-N 2 1 328.566 3.243 20 0 EGADMP CC(C)(C)OC1CC([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000491020222 311161014 /nfs/dbraw/zinc/16/10/14/311161014.db2.gz MDUMSVJGRYOZKF-HDYDNRTBSA-N 2 1 330.516 3.487 20 0 EGADMP COCC[N@H+](C)CC[C@H](Nc1[nH+]cnc2[nH]ccc21)c1ccccc1 ZINC000505615380 312028523 /nfs/dbraw/zinc/02/85/23/312028523.db2.gz UBDWXLJFMZIRMF-KRWDZBQOSA-N 2 1 339.443 3.079 20 0 EGADMP COCC[N@@H+](C)CC[C@H](Nc1[nH+]cnc2[nH]ccc21)c1ccccc1 ZINC000505615380 312028525 /nfs/dbraw/zinc/02/85/25/312028525.db2.gz UBDWXLJFMZIRMF-KRWDZBQOSA-N 2 1 339.443 3.079 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)N(C)C2CCCCC2)C1 ZINC000506471535 312049929 /nfs/dbraw/zinc/04/99/29/312049929.db2.gz CWXKNZSDWAUGJW-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000508878942 312104726 /nfs/dbraw/zinc/10/47/26/312104726.db2.gz OHMGQNWXAFCQJT-VQIMIIECSA-N 2 1 335.923 3.106 20 0 EGADMP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000508878942 312104728 /nfs/dbraw/zinc/10/47/28/312104728.db2.gz OHMGQNWXAFCQJT-VQIMIIECSA-N 2 1 335.923 3.106 20 0 EGADMP CCOc1cccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000512191754 312178586 /nfs/dbraw/zinc/17/85/86/312178586.db2.gz AUAODZSHYXOBQE-HDICACEKSA-N 2 1 346.515 3.407 20 0 EGADMP Fc1c(Cl)cccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000512414214 312184515 /nfs/dbraw/zinc/18/45/15/312184515.db2.gz CKHGUZDGRHEQLW-UHFFFAOYSA-N 2 1 340.870 3.413 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCO1 ZINC000512610500 312190022 /nfs/dbraw/zinc/19/00/22/312190022.db2.gz BTISEBFAJWHLPZ-DOIPELPJSA-N 2 1 328.500 3.446 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512652955 312191795 /nfs/dbraw/zinc/19/17/95/312191795.db2.gz CCKWYDZRVJZHAE-LNRXMEIDSA-N 2 1 341.543 3.361 20 0 EGADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512652955 312191798 /nfs/dbraw/zinc/19/17/98/312191798.db2.gz CCKWYDZRVJZHAE-LNRXMEIDSA-N 2 1 341.543 3.361 20 0 EGADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512652955 312191800 /nfs/dbraw/zinc/19/18/00/312191800.db2.gz CCKWYDZRVJZHAE-LNRXMEIDSA-N 2 1 341.543 3.361 20 0 EGADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512652955 312191802 /nfs/dbraw/zinc/19/18/02/312191802.db2.gz CCKWYDZRVJZHAE-LNRXMEIDSA-N 2 1 341.543 3.361 20 0 EGADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512652955 312191803 /nfs/dbraw/zinc/19/18/03/312191803.db2.gz CCKWYDZRVJZHAE-LNRXMEIDSA-N 2 1 341.543 3.361 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C2CCCC2)cc1 ZINC000514829648 312247353 /nfs/dbraw/zinc/24/73/53/312247353.db2.gz JRJPCAWLNVABQE-UHFFFAOYSA-N 2 1 329.532 3.414 20 0 EGADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc(Cl)c1O ZINC000515608624 312291170 /nfs/dbraw/zinc/29/11/70/312291170.db2.gz HYZMRVDPBKPFPL-ZDUSSCGKSA-N 2 1 326.868 3.264 20 0 EGADMP C[C@@H](O)C[N@H+](CCCc1c[nH+]cn1C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000517387709 312377556 /nfs/dbraw/zinc/37/75/56/312377556.db2.gz MKGLGKCAVNOAFX-HZPDHXFCSA-N 2 1 349.906 3.320 20 0 EGADMP C[C@@H](O)C[N@@H+](CCCc1c[nH+]cn1C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000517387709 312377557 /nfs/dbraw/zinc/37/75/57/312377557.db2.gz MKGLGKCAVNOAFX-HZPDHXFCSA-N 2 1 349.906 3.320 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000528388920 313081083 /nfs/dbraw/zinc/08/10/83/313081083.db2.gz RSZJIBNHILXKTN-VQTJNVASSA-N 2 1 334.479 3.334 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000528441703 313094448 /nfs/dbraw/zinc/09/44/48/313094448.db2.gz QVRVURUYERYYGQ-ZWOKBUDYSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000528441703 313094450 /nfs/dbraw/zinc/09/44/50/313094450.db2.gz QVRVURUYERYYGQ-ZWOKBUDYSA-N 2 1 347.547 3.163 20 0 EGADMP COc1cc2c(cc1CN(C)CC[C@@H]1CCCC[N@H+]1C)O[C@@H](C)C2 ZINC000536678534 314138173 /nfs/dbraw/zinc/13/81/73/314138173.db2.gz CALXDVHZJXOMJC-YJBOKZPZSA-N 2 1 332.488 3.325 20 0 EGADMP CC[NH+]1CCC([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000538196645 314231783 /nfs/dbraw/zinc/23/17/83/314231783.db2.gz TZZAQSOFONZSNI-QUCCMNQESA-N 3 1 329.532 3.361 20 0 EGADMP CCN1CCC([NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000538196645 314231785 /nfs/dbraw/zinc/23/17/85/314231785.db2.gz TZZAQSOFONZSNI-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP CCN1CCC([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000538196645 314231787 /nfs/dbraw/zinc/23/17/87/314231787.db2.gz TZZAQSOFONZSNI-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP Cc1ccncc1[C@H](C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000540083637 314361753 /nfs/dbraw/zinc/36/17/53/314361753.db2.gz AIHIRDBMKWAEFB-RXVVDRJESA-N 2 1 338.499 3.029 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000540606226 314391875 /nfs/dbraw/zinc/39/18/75/314391875.db2.gz HPSQJAAOWDXXGA-CQSZACIVSA-N 2 1 335.879 3.217 20 0 EGADMP Cc1cc(C)c(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000540613660 314392051 /nfs/dbraw/zinc/39/20/51/314392051.db2.gz KTRXBEHOAZIVJH-JOCHJYFZSA-N 2 1 338.495 3.338 20 0 EGADMP Cc1cc(C)c(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000540613660 314392056 /nfs/dbraw/zinc/39/20/56/314392056.db2.gz KTRXBEHOAZIVJH-JOCHJYFZSA-N 2 1 338.495 3.338 20 0 EGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c3ccccc3)C1)C2 ZINC000550994174 315139811 /nfs/dbraw/zinc/13/98/11/315139811.db2.gz JLLKZTMLISZZNJ-ZVDOUQERSA-N 2 1 336.483 3.067 20 0 EGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c3ccccc3)C1)C2 ZINC000550994174 315139813 /nfs/dbraw/zinc/13/98/13/315139813.db2.gz JLLKZTMLISZZNJ-ZVDOUQERSA-N 2 1 336.483 3.067 20 0 EGADMP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000551908362 315177191 /nfs/dbraw/zinc/17/71/91/315177191.db2.gz DMAHXLKJYZNMME-MRXNPFEDSA-N 2 1 347.503 3.074 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C)c(F)c3)CC2)CC1 ZINC000552855747 315235229 /nfs/dbraw/zinc/23/52/29/315235229.db2.gz RPSNBERBRPMQSR-UHFFFAOYSA-N 2 1 347.478 3.269 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000554882077 315353951 /nfs/dbraw/zinc/35/39/51/315353951.db2.gz GEGOLMBMACXQGL-HNNXBMFYSA-N 2 1 337.458 3.254 20 0 EGADMP COc1ccc2nc(CN3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)sc2c1 ZINC000554886448 315354483 /nfs/dbraw/zinc/35/44/83/315354483.db2.gz KUZFECNSXKCKRW-CZUORRHYSA-N 2 1 331.485 3.221 20 0 EGADMP Oc1cc(F)cc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000564507231 316159646 /nfs/dbraw/zinc/15/96/46/316159646.db2.gz ULUOPPQGRVVGOP-MOPGFXCFSA-N 2 1 340.442 3.485 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCc2ccc(-c3ccccc3)cc21)C1CC1 ZINC000564873720 316224459 /nfs/dbraw/zinc/22/44/59/316224459.db2.gz RHZDOBUIZVGOCH-IRLDBZIGSA-N 2 1 336.479 3.386 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCc2ccc(-c3ccccc3)cc21)C1CC1 ZINC000564873720 316224460 /nfs/dbraw/zinc/22/44/60/316224460.db2.gz RHZDOBUIZVGOCH-IRLDBZIGSA-N 2 1 336.479 3.386 20 0 EGADMP CCCNC(=O)CCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000565156426 316276977 /nfs/dbraw/zinc/27/69/77/316276977.db2.gz JQGUDYNJKLZGMJ-UYAOXDASSA-N 2 1 345.531 3.278 20 0 EGADMP CCCNC(=O)CCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000565156426 316276981 /nfs/dbraw/zinc/27/69/81/316276981.db2.gz JQGUDYNJKLZGMJ-UYAOXDASSA-N 2 1 345.531 3.278 20 0 EGADMP CCCNC(=O)CCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000565156426 316276986 /nfs/dbraw/zinc/27/69/86/316276986.db2.gz JQGUDYNJKLZGMJ-UYAOXDASSA-N 2 1 345.531 3.278 20 0 EGADMP CCCNC(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000565156426 316276988 /nfs/dbraw/zinc/27/69/88/316276988.db2.gz JQGUDYNJKLZGMJ-UYAOXDASSA-N 2 1 345.531 3.278 20 0 EGADMP O[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)Cc1ccccc1 ZINC000565357850 316313523 /nfs/dbraw/zinc/31/35/23/316313523.db2.gz ASDCUSYGTTYFNX-MOPGFXCFSA-N 2 1 344.524 3.153 20 0 EGADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)Cc1ccccc1 ZINC000565357850 316313527 /nfs/dbraw/zinc/31/35/27/316313527.db2.gz ASDCUSYGTTYFNX-MOPGFXCFSA-N 2 1 344.524 3.153 20 0 EGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cncc(Br)c1 ZINC000566499652 316487503 /nfs/dbraw/zinc/48/75/03/316487503.db2.gz BIUDGZAXBIXUJK-CQDKDKBSSA-N 2 1 326.282 3.368 20 0 EGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000568499920 316783134 /nfs/dbraw/zinc/78/31/34/316783134.db2.gz ZHKLFJWJUXJVCL-RTBURBONSA-N 2 1 325.456 3.410 20 0 EGADMP CC[N@H+](CCC1CC[NH+]([C@H](C)c2nccc(N)n2)CC1)CC(C)C ZINC000571653648 317229606 /nfs/dbraw/zinc/22/96/06/317229606.db2.gz JUDDEHTUVNIELB-MRXNPFEDSA-N 2 1 333.524 3.030 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2nccc(N)n2)CC1)CC(C)C ZINC000571653648 317229608 /nfs/dbraw/zinc/22/96/08/317229608.db2.gz JUDDEHTUVNIELB-MRXNPFEDSA-N 2 1 333.524 3.030 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)CC[NH2+]1 ZINC000571770152 317245506 /nfs/dbraw/zinc/24/55/06/317245506.db2.gz MDWQFYWTNDCGCK-GPMSIDNRSA-N 2 1 326.488 3.488 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3[C@H](C)CCC[C@H]3C)CC2)CC1 ZINC000572421867 317335953 /nfs/dbraw/zinc/33/59/53/317335953.db2.gz LQZSFDDMELHSBN-IAGOWNOFSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000572635745 317368372 /nfs/dbraw/zinc/36/83/72/317368372.db2.gz FMAFNVVDYZPXNX-FUHWJXTLSA-N 2 1 331.504 3.093 20 0 EGADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCc2c[nH+]cn2C)cc1F ZINC000573055892 317429723 /nfs/dbraw/zinc/42/97/23/317429723.db2.gz XMLGWXLFNUYWBJ-WMZOPIPTSA-N 2 1 331.435 3.426 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379665087 324240174 /nfs/dbraw/zinc/24/01/74/324240174.db2.gz RHRSWWJRAAAAJZ-GSEOLPGOSA-N 2 1 343.515 3.063 20 0 EGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000382766627 324253791 /nfs/dbraw/zinc/25/37/91/324253791.db2.gz VUMUYMBLXPALAL-MJGOQNOKSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000383986658 324258258 /nfs/dbraw/zinc/25/82/58/324258258.db2.gz MPQGPLGNGCDNMW-OAHLLOKOSA-N 2 1 339.524 3.286 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1COc2ccccc2C1 ZINC000398108603 324295798 /nfs/dbraw/zinc/29/57/98/324295798.db2.gz CERZUFOYIPRZAZ-UIFIKXQLSA-N 2 1 336.479 3.490 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1COc2ccccc2C1 ZINC000398108603 324295801 /nfs/dbraw/zinc/29/58/01/324295801.db2.gz CERZUFOYIPRZAZ-UIFIKXQLSA-N 2 1 336.479 3.490 20 0 EGADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000316768120 456614607 /nfs/dbraw/zinc/61/46/07/456614607.db2.gz DMOSZRNEJHEROQ-FZMZJTMJSA-N 2 1 344.286 3.381 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)CC(C)(C)C)CC2)CC1 ZINC000578906903 325035957 /nfs/dbraw/zinc/03/59/57/325035957.db2.gz RZOVMOOMMFSGDI-MRXNPFEDSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cncc(OCc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000579100408 325062265 /nfs/dbraw/zinc/06/22/65/325062265.db2.gz YFHDIRQISPANNL-APWZRJJASA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000579100408 325062268 /nfs/dbraw/zinc/06/22/68/325062268.db2.gz YFHDIRQISPANNL-APWZRJJASA-N 2 1 325.456 3.077 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000579129373 325067785 /nfs/dbraw/zinc/06/77/85/325067785.db2.gz WHCRCCNKRWHKCM-RTBURBONSA-N 2 1 327.472 3.271 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000579209631 325077844 /nfs/dbraw/zinc/07/78/44/325077844.db2.gz WOPRUJVBPXNQEO-LJQANCHMSA-N 2 1 344.503 3.325 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000580301903 325231200 /nfs/dbraw/zinc/23/12/00/325231200.db2.gz AQGVFALRZHXIGJ-NVXWUHKLSA-N 2 1 347.528 3.344 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000580301903 325231202 /nfs/dbraw/zinc/23/12/02/325231202.db2.gz AQGVFALRZHXIGJ-NVXWUHKLSA-N 2 1 347.528 3.344 20 0 EGADMP CCOC(=O)C1(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000580363515 325239175 /nfs/dbraw/zinc/23/91/75/325239175.db2.gz BTTXANOZBWRPDT-MJGOQNOKSA-N 2 1 344.499 3.220 20 0 EGADMP c1cncc([C@H]2CC[N@H+](CCC[NH+]3CC[C@@H](c4cccnc4)C3)C2)c1 ZINC000580427793 325248643 /nfs/dbraw/zinc/24/86/43/325248643.db2.gz PJCCTMHXQAQJDM-OYRHEFFESA-N 2 1 336.483 3.146 20 0 EGADMP c1cncc([C@H]2CC[NH+](CCC[N@@H+]3CC[C@@H](c4cccnc4)C3)C2)c1 ZINC000580427793 325248647 /nfs/dbraw/zinc/24/86/47/325248647.db2.gz PJCCTMHXQAQJDM-OYRHEFFESA-N 2 1 336.483 3.146 20 0 EGADMP c1cncc([C@H]2CC[NH+](CCC[N@H+]3CC[C@@H](c4cccnc4)C3)C2)c1 ZINC000580427793 325248650 /nfs/dbraw/zinc/24/86/50/325248650.db2.gz PJCCTMHXQAQJDM-OYRHEFFESA-N 2 1 336.483 3.146 20 0 EGADMP CCC(CC)(C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(=O)OC ZINC000581086153 325328653 /nfs/dbraw/zinc/32/86/53/325328653.db2.gz SXQOHDWPHOBNPZ-ZWKOTPCHSA-N 2 1 332.488 3.391 20 0 EGADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(=O)OC ZINC000581086153 325328657 /nfs/dbraw/zinc/32/86/57/325328657.db2.gz SXQOHDWPHOBNPZ-ZWKOTPCHSA-N 2 1 332.488 3.391 20 0 EGADMP CO[C@@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000374695289 457688859 /nfs/dbraw/zinc/68/88/59/457688859.db2.gz SGRCUXLREAWKEZ-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP CO[C@@H]1CCC[N@@H+](CCCCC[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000374695289 457688863 /nfs/dbraw/zinc/68/88/63/457688863.db2.gz SGRCUXLREAWKEZ-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP CO[C@@H]1CCC[N@H+](CCCCC[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000374695289 457688867 /nfs/dbraw/zinc/68/88/67/457688867.db2.gz SGRCUXLREAWKEZ-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP CC(C)C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000424318360 458614263 /nfs/dbraw/zinc/61/42/63/458614263.db2.gz FUOHODDXFUQMCO-YYIAUSFCSA-N 2 1 326.525 3.309 20 0 EGADMP C[C@H]1C[C@H](Nc2cc[nH+]c3ccc(Br)cc23)CC[N@H+]1C ZINC000462875065 458662598 /nfs/dbraw/zinc/66/25/98/458662598.db2.gz GCSYLTABHVPJOX-WCQYABFASA-N 2 1 334.261 3.314 20 0 EGADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443072505 459084109 /nfs/dbraw/zinc/08/41/09/459084109.db2.gz NPLNODPQOXVPRB-RYUDHWBXSA-N 2 1 344.286 3.381 20 0 EGADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443072505 459084120 /nfs/dbraw/zinc/08/41/20/459084120.db2.gz NPLNODPQOXVPRB-RYUDHWBXSA-N 2 1 344.286 3.381 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)CC[N@H+]1C ZINC000180848437 455255535 /nfs/dbraw/zinc/25/55/35/455255535.db2.gz HXARJNOFLKFRSR-GOEBONIOSA-N 2 1 330.501 3.210 20 0 EGADMP CN(CC[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21)C1CC[NH+](C)CC1 ZINC000180939004 455266234 /nfs/dbraw/zinc/26/62/34/455266234.db2.gz HNODOTUKGWBTJJ-HXUWFJFHSA-N 2 1 333.495 3.161 20 0 EGADMP CC(C)CC[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000158125799 455272358 /nfs/dbraw/zinc/27/23/58/455272358.db2.gz BKYDPNKSTNLNLG-LJQANCHMSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631843913 460579953 /nfs/dbraw/zinc/57/99/53/460579953.db2.gz CGGCIZKSPSGCLH-ZWNOBZJWSA-N 2 1 340.258 3.052 20 0 EGADMP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631843913 460579956 /nfs/dbraw/zinc/57/99/56/460579956.db2.gz CGGCIZKSPSGCLH-ZWNOBZJWSA-N 2 1 340.258 3.052 20 0 EGADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000181705081 455374215 /nfs/dbraw/zinc/37/42/15/455374215.db2.gz IJUPUGAWZIBNNM-IBGZPJMESA-N 2 1 331.548 3.360 20 0 EGADMP CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000075022709 453853822 /nfs/dbraw/zinc/85/38/22/453853822.db2.gz VRGPGNLUTNSLJQ-FXAWDEMLSA-N 2 1 343.515 3.019 20 0 EGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000081408761 453869308 /nfs/dbraw/zinc/86/93/08/453869308.db2.gz IEEHQOCEOIPMHE-MRXNPFEDSA-N 2 1 338.455 3.239 20 0 EGADMP COc1ccc(OCCC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081636070 453899005 /nfs/dbraw/zinc/89/90/05/453899005.db2.gz BUMDUWPCZWQIIB-GOSISDBHSA-N 2 1 332.488 3.128 20 0 EGADMP COc1ccc(OCCC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000081636070 453899009 /nfs/dbraw/zinc/89/90/09/453899009.db2.gz BUMDUWPCZWQIIB-GOSISDBHSA-N 2 1 332.488 3.128 20 0 EGADMP COc1ccc(OCCC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000081636070 453899012 /nfs/dbraw/zinc/89/90/12/453899012.db2.gz BUMDUWPCZWQIIB-GOSISDBHSA-N 2 1 332.488 3.128 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000081634415 453899030 /nfs/dbraw/zinc/89/90/30/453899030.db2.gz OFZYTLFSYOGWEK-INIZCTEOSA-N 2 1 349.906 3.332 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000081634415 453899033 /nfs/dbraw/zinc/89/90/33/453899033.db2.gz OFZYTLFSYOGWEK-INIZCTEOSA-N 2 1 349.906 3.332 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000081634415 453899037 /nfs/dbraw/zinc/89/90/37/453899037.db2.gz OFZYTLFSYOGWEK-INIZCTEOSA-N 2 1 349.906 3.332 20 0 EGADMP C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000036301324 453927860 /nfs/dbraw/zinc/92/78/60/453927860.db2.gz GPARZGRLJJRLPS-UHFFFAOYSA-N 2 1 330.259 3.006 20 0 EGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000265910713 455403508 /nfs/dbraw/zinc/40/35/08/455403508.db2.gz XUWXFMJHAROXKF-LEWJYISDSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000265910713 455403512 /nfs/dbraw/zinc/40/35/12/455403512.db2.gz XUWXFMJHAROXKF-LEWJYISDSA-N 2 1 349.478 3.141 20 0 EGADMP COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1OCC(C)C ZINC000069754146 454141406 /nfs/dbraw/zinc/14/14/06/454141406.db2.gz DOXREGMOLKCNLT-UHFFFAOYSA-N 2 1 331.460 3.415 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)cc1 ZINC000089628729 454169761 /nfs/dbraw/zinc/16/97/61/454169761.db2.gz YWFSXZGQCGFILF-AWEZNQCLSA-N 2 1 349.500 3.045 20 0 EGADMP c1cnc2c(c1)cccc2OCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089627514 454170288 /nfs/dbraw/zinc/17/02/88/454170288.db2.gz DYAXTVJQCYIVNO-ZWKOTPCHSA-N 2 1 325.456 3.220 20 0 EGADMP CC[N@@H+](CCOc1ccc(Br)cc1)CC1CC[NH2+]CC1 ZINC000094025020 454183130 /nfs/dbraw/zinc/18/31/30/454183130.db2.gz MSPYDVJIOVYHQB-UHFFFAOYSA-N 2 1 341.293 3.149 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634952690 460627248 /nfs/dbraw/zinc/62/72/48/460627248.db2.gz GMBVYJWEQOXJLX-CALCHBBNSA-N 2 1 326.488 3.478 20 0 EGADMP CC[NH+](CC)CC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000059384476 454258278 /nfs/dbraw/zinc/25/82/78/454258278.db2.gz NLAYTGOEXJTLAY-HDICACEKSA-N 2 1 345.531 3.123 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc(-c3ccccn3)cs2)[C@H](C)C1 ZINC000090044337 454265463 /nfs/dbraw/zinc/26/54/63/454265463.db2.gz QEGBJAZHRKMEHS-HUUCEWRRSA-N 2 1 330.501 3.068 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000060453225 454291177 /nfs/dbraw/zinc/29/11/77/454291177.db2.gz PPJHXOLNNGLQQJ-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000090586580 454323857 /nfs/dbraw/zinc/32/38/57/454323857.db2.gz BWQQTYGMJSXIJM-YGKZAACZSA-N 2 1 336.545 3.443 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2Oc2cccc(C)c2)CC1 ZINC000090580455 454324150 /nfs/dbraw/zinc/32/41/50/454324150.db2.gz VCHORCSXUZDIFS-SFTDATJTSA-N 2 1 346.515 3.385 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2Oc2ccccc2C)CC1 ZINC000090593047 454326097 /nfs/dbraw/zinc/32/60/97/454326097.db2.gz FDOHUUYDMSBVHY-TZIWHRDSSA-N 2 1 346.515 3.385 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(N(C)C)n2)cc1 ZINC000090851474 454346750 /nfs/dbraw/zinc/34/67/50/454346750.db2.gz SJODFAMIPPIBCZ-HNNXBMFYSA-N 2 1 335.455 3.493 20 0 EGADMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1F ZINC000090937421 454353014 /nfs/dbraw/zinc/35/30/14/454353014.db2.gz ZFWUHLWXFGAREV-ZDUSSCGKSA-N 2 1 335.398 3.151 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1[C@@H]3CCO[C@@H]3C13CCCC3)C2 ZINC000121094897 454390582 /nfs/dbraw/zinc/39/05/82/454390582.db2.gz PTDOHJYGJXIECD-HBMCJLEFSA-N 2 1 340.511 3.372 20 0 EGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1[C@@H]3CCO[C@@H]3C13CCCC3)C2 ZINC000121094897 454390589 /nfs/dbraw/zinc/39/05/89/454390589.db2.gz PTDOHJYGJXIECD-HBMCJLEFSA-N 2 1 340.511 3.372 20 0 EGADMP C[N@@H+](CCNC1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCCC1 ZINC000133241112 454404553 /nfs/dbraw/zinc/40/45/53/454404553.db2.gz YCTGMAHFJMLEPW-UHFFFAOYSA-N 2 1 347.522 3.297 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000091739230 454465539 /nfs/dbraw/zinc/46/55/39/454465539.db2.gz DZINLOALWJNYNF-LBTNJELSSA-N 2 1 331.435 3.342 20 0 EGADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@H+]2CC)c1 ZINC000104146657 454576707 /nfs/dbraw/zinc/57/67/07/454576707.db2.gz MXFIKOVIRRUPMJ-IBGZPJMESA-N 2 1 331.504 3.019 20 0 EGADMP COc1ccccc1OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134865798 454599398 /nfs/dbraw/zinc/59/93/98/454599398.db2.gz JFFYCELLAHWKTC-SJLPKXTDSA-N 2 1 330.472 3.023 20 0 EGADMP COc1ccccc1OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134865798 454599404 /nfs/dbraw/zinc/59/94/04/454599404.db2.gz JFFYCELLAHWKTC-SJLPKXTDSA-N 2 1 330.472 3.023 20 0 EGADMP COc1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134865798 454599409 /nfs/dbraw/zinc/59/94/09/454599409.db2.gz JFFYCELLAHWKTC-SJLPKXTDSA-N 2 1 330.472 3.023 20 0 EGADMP COc1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134865798 454599413 /nfs/dbraw/zinc/59/94/13/454599413.db2.gz JFFYCELLAHWKTC-SJLPKXTDSA-N 2 1 330.472 3.023 20 0 EGADMP Nc1ccc(-c2cccc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000634994367 460642863 /nfs/dbraw/zinc/64/28/63/460642863.db2.gz ALWFOEHZIBDWAH-MSOLQXFVSA-N 2 1 336.483 3.152 20 0 EGADMP O[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000134882732 454602278 /nfs/dbraw/zinc/60/22/78/454602278.db2.gz AXZZPRJUFHGDDD-ATZDWAIDSA-N 2 1 334.891 3.322 20 0 EGADMP O[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000134882732 454602283 /nfs/dbraw/zinc/60/22/83/454602283.db2.gz AXZZPRJUFHGDDD-ATZDWAIDSA-N 2 1 334.891 3.322 20 0 EGADMP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000134882732 454602285 /nfs/dbraw/zinc/60/22/85/454602285.db2.gz AXZZPRJUFHGDDD-ATZDWAIDSA-N 2 1 334.891 3.322 20 0 EGADMP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000134882732 454602290 /nfs/dbraw/zinc/60/22/90/454602290.db2.gz AXZZPRJUFHGDDD-ATZDWAIDSA-N 2 1 334.891 3.322 20 0 EGADMP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cccc(F)c1 ZINC000134912101 454608594 /nfs/dbraw/zinc/60/85/94/454608594.db2.gz IKJAMQKDANWGOW-BEFAXECRSA-N 2 1 345.462 3.103 20 0 EGADMP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cccc(F)c1 ZINC000134912101 454608598 /nfs/dbraw/zinc/60/85/98/454608598.db2.gz IKJAMQKDANWGOW-BEFAXECRSA-N 2 1 345.462 3.103 20 0 EGADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1cccc(F)c1 ZINC000134912101 454608601 /nfs/dbraw/zinc/60/86/01/454608601.db2.gz IKJAMQKDANWGOW-BEFAXECRSA-N 2 1 345.462 3.103 20 0 EGADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1cccc(F)c1 ZINC000134912101 454608604 /nfs/dbraw/zinc/60/86/04/454608604.db2.gz IKJAMQKDANWGOW-BEFAXECRSA-N 2 1 345.462 3.103 20 0 EGADMP Cc1cnn(CCCCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134926401 454611155 /nfs/dbraw/zinc/61/11/55/454611155.db2.gz DEOIMMUIDVPBPD-QUCCMNQESA-N 2 1 330.520 3.311 20 0 EGADMP Cc1cnn(CCCCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134926401 454611161 /nfs/dbraw/zinc/61/11/61/454611161.db2.gz DEOIMMUIDVPBPD-QUCCMNQESA-N 2 1 330.520 3.311 20 0 EGADMP Cc1cnn(CCCCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134926401 454611166 /nfs/dbraw/zinc/61/11/66/454611166.db2.gz DEOIMMUIDVPBPD-QUCCMNQESA-N 2 1 330.520 3.311 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135108530 454634326 /nfs/dbraw/zinc/63/43/26/454634326.db2.gz ZEZVBPAICCTRSG-SFHVURJKSA-N 2 1 332.488 3.416 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135108530 454634330 /nfs/dbraw/zinc/63/43/30/454634330.db2.gz ZEZVBPAICCTRSG-SFHVURJKSA-N 2 1 332.488 3.416 20 0 EGADMP COc1ccnc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000092820902 454639984 /nfs/dbraw/zinc/63/99/84/454639984.db2.gz DJLWQFJWEWNKIP-UHFFFAOYSA-N 2 1 340.471 3.224 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000105476818 454640983 /nfs/dbraw/zinc/64/09/83/454640983.db2.gz JPCGKKLQAGDVOU-UHFFFAOYSA-N 2 1 330.303 3.111 20 0 EGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821726 454641855 /nfs/dbraw/zinc/64/18/55/454641855.db2.gz OXALKKSWLHCBBA-LJQANCHMSA-N 3 1 330.520 3.104 20 0 EGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821726 454641858 /nfs/dbraw/zinc/64/18/58/454641858.db2.gz OXALKKSWLHCBBA-LJQANCHMSA-N 3 1 330.520 3.104 20 0 EGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821726 454641864 /nfs/dbraw/zinc/64/18/64/454641864.db2.gz OXALKKSWLHCBBA-LJQANCHMSA-N 3 1 330.520 3.104 20 0 EGADMP CN1CCC[C@@H]1CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821726 454641867 /nfs/dbraw/zinc/64/18/67/454641867.db2.gz OXALKKSWLHCBBA-LJQANCHMSA-N 2 1 330.520 3.104 20 0 EGADMP CN1CCC[C@@H]1CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821726 454641872 /nfs/dbraw/zinc/64/18/72/454641872.db2.gz OXALKKSWLHCBBA-LJQANCHMSA-N 2 1 330.520 3.104 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NC2CCCCCC2)CC1 ZINC000052208884 454662204 /nfs/dbraw/zinc/66/22/04/454662204.db2.gz SQNJXHXBJRVWRM-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)n1ncc2cc(C[N@@H+](C)CC3CC[NH+](C)CC3)c(Cl)nc21 ZINC000093088725 454680465 /nfs/dbraw/zinc/68/04/65/454680465.db2.gz MYETXKWCJMLREL-UHFFFAOYSA-N 2 1 349.910 3.439 20 0 EGADMP CCc1oc2ccccc2c1C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000093132948 454686767 /nfs/dbraw/zinc/68/67/67/454686767.db2.gz XZCKZNXKKBOLPS-KRWDZBQOSA-N 2 1 341.499 3.207 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cnccn3)CC2)cs1 ZINC000161780987 454722981 /nfs/dbraw/zinc/72/29/81/454722981.db2.gz DKMYFXMVRXQKLK-CQSZACIVSA-N 2 1 345.516 3.058 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000124389124 454727057 /nfs/dbraw/zinc/72/70/57/454727057.db2.gz MGYLJMJQXBLODO-GOSISDBHSA-N 2 1 333.520 3.156 20 0 EGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(F)c(F)c(F)c1 ZINC000124420159 454730411 /nfs/dbraw/zinc/73/04/11/454730411.db2.gz QZBPFELKQZHELJ-CYBMUJFWSA-N 2 1 343.437 3.028 20 0 EGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cnc2ccsc2c1 ZINC000124497150 454740708 /nfs/dbraw/zinc/74/07/08/454740708.db2.gz SCFZMKYIBSDBKG-OAHLLOKOSA-N 2 1 346.544 3.221 20 0 EGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cccc4c3CC[NH2+]C4)CC2)C1 ZINC000635008825 460651881 /nfs/dbraw/zinc/65/18/81/460651881.db2.gz HLSHTKHCEFZQSH-UTKZUKDTSA-N 3 1 341.543 3.465 20 0 EGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc2ccccc2o1 ZINC000124527093 454745102 /nfs/dbraw/zinc/74/51/02/454745102.db2.gz KESHSMSFPLXNJG-INIZCTEOSA-N 2 1 329.488 3.357 20 0 EGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cccc(Cl)c2)c2cccs2)CC1 ZINC000620437361 460653054 /nfs/dbraw/zinc/65/30/54/460653054.db2.gz LBVMHAZKAOFQMG-QGZVFWFLSA-N 2 1 349.931 3.480 20 0 EGADMP C[N@H+]1CCC[C@@H](CNCc2ccccc2OCc2cccnc2)C1 ZINC000108427875 454797837 /nfs/dbraw/zinc/79/78/37/454797837.db2.gz GFHNUJRFPHMWPS-KRWDZBQOSA-N 2 1 325.456 3.092 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000108427875 454797843 /nfs/dbraw/zinc/79/78/43/454797843.db2.gz GFHNUJRFPHMWPS-KRWDZBQOSA-N 2 1 325.456 3.092 20 0 EGADMP Cc1nc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)oc1C ZINC000177490886 454869957 /nfs/dbraw/zinc/86/99/57/454869957.db2.gz BPFKGPFNZBIOJK-HUUCEWRRSA-N 2 1 335.492 3.003 20 0 EGADMP CC(C)C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000154273895 454879802 /nfs/dbraw/zinc/87/98/02/454879802.db2.gz QIMXLPVYPPJXGR-HOTGVXAUSA-N 2 1 332.410 3.305 20 0 EGADMP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000149991653 454880199 /nfs/dbraw/zinc/88/01/99/454880199.db2.gz OLPGTOFVALOJKL-HXUWFJFHSA-N 2 1 339.483 3.057 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000149991653 454880203 /nfs/dbraw/zinc/88/02/03/454880203.db2.gz OLPGTOFVALOJKL-HXUWFJFHSA-N 2 1 339.483 3.057 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(CCO)CCCCC2)[C@H](C)C1 ZINC000165632792 454902467 /nfs/dbraw/zinc/90/24/67/454902467.db2.gz CMVBJBYEFPNKKQ-RTBURBONSA-N 2 1 340.552 3.046 20 0 EGADMP c1ccc(COc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)nc1 ZINC000126645027 454907807 /nfs/dbraw/zinc/90/78/07/454907807.db2.gz RGXCMFOANGDOTG-AZUAARDMSA-N 2 1 337.467 3.377 20 0 EGADMP Cc1ccc(-c2noc(CCC[N@H+]3CC[C@H](C[NH+](C)C)C3)n2)cc1F ZINC000114198159 454946490 /nfs/dbraw/zinc/94/64/90/454946490.db2.gz XHKPWGROTFOFPJ-OAHLLOKOSA-N 2 1 346.450 3.000 20 0 EGADMP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@H](C[NH+](C)C)C3)n2)cc1F ZINC000114198159 454946495 /nfs/dbraw/zinc/94/64/95/454946495.db2.gz XHKPWGROTFOFPJ-OAHLLOKOSA-N 2 1 346.450 3.000 20 0 EGADMP CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114455231 454955426 /nfs/dbraw/zinc/95/54/26/454955426.db2.gz ZJDDGXDHXGBINQ-KRWDZBQOSA-N 2 1 349.544 3.046 20 0 EGADMP CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114455231 454955431 /nfs/dbraw/zinc/95/54/31/454955431.db2.gz ZJDDGXDHXGBINQ-KRWDZBQOSA-N 2 1 349.544 3.046 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cnn(C)c2C(F)(F)F)CC1 ZINC000151417855 454982172 /nfs/dbraw/zinc/98/21/72/454982172.db2.gz RIYIUVZIBIDHAE-UHFFFAOYSA-N 2 1 346.441 3.383 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnn(C)c2C(F)(F)F)CC1 ZINC000151417855 454982174 /nfs/dbraw/zinc/98/21/74/454982174.db2.gz RIYIUVZIBIDHAE-UHFFFAOYSA-N 2 1 346.441 3.383 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ncc(Br)s1 ZINC000179224891 455022702 /nfs/dbraw/zinc/02/27/02/455022702.db2.gz RYPHLSQDNGRXHQ-VHSXEESVSA-N 2 1 343.294 3.397 20 0 EGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC[N@@H+]1C ZINC000179524955 455055188 /nfs/dbraw/zinc/05/51/88/455055188.db2.gz JUQVRNOFAVIEOS-MELADBBJSA-N 2 1 325.859 3.130 20 0 EGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC[N@H+]1C ZINC000179524955 455055193 /nfs/dbraw/zinc/05/51/93/455055193.db2.gz JUQVRNOFAVIEOS-MELADBBJSA-N 2 1 325.859 3.130 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@H+](C3c4ccccc4-c4ccccc43)C2)CC1 ZINC000118834576 455113446 /nfs/dbraw/zinc/11/34/46/455113446.db2.gz XBXVULXQSXPGGW-SFHVURJKSA-N 2 1 347.506 3.468 20 0 EGADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000152462849 455123397 /nfs/dbraw/zinc/12/33/97/455123397.db2.gz XTRSMQIELDKZDK-STQMWFEESA-N 2 1 338.879 3.492 20 0 EGADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000152462849 455123400 /nfs/dbraw/zinc/12/34/00/455123400.db2.gz XTRSMQIELDKZDK-STQMWFEESA-N 2 1 338.879 3.492 20 0 EGADMP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(SC)cc1OC ZINC000172597258 455164131 /nfs/dbraw/zinc/16/41/31/455164131.db2.gz BLLICVWGMWXFIY-ZDUSSCGKSA-N 2 1 349.500 3.357 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000263963495 455173608 /nfs/dbraw/zinc/17/36/08/455173608.db2.gz JKNKJVYXDWKITG-FQEVSTJZSA-N 2 1 343.515 3.156 20 0 EGADMP O[C@H]1CC[C@@H](C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000189311214 455174329 /nfs/dbraw/zinc/17/43/29/455174329.db2.gz CGUJRMAGUZCWFB-IFLJBQAJSA-N 2 1 328.500 3.038 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC2CC[NH2+]CC2)cc1 ZINC000237524030 455191058 /nfs/dbraw/zinc/19/10/58/455191058.db2.gz WTFNPPXGRCWGRX-KRWDZBQOSA-N 2 1 343.515 3.067 20 0 EGADMP C[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245202580 455280650 /nfs/dbraw/zinc/28/06/50/455280650.db2.gz TZJKIHZOMQUVMB-FGTMMUONSA-N 2 1 343.515 3.160 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1[C@H]3CCO[C@@H]3C13CCCC3)C2 ZINC000245624555 455343560 /nfs/dbraw/zinc/34/35/60/455343560.db2.gz PTDOHJYGJXIECD-NJYVYQBISA-N 2 1 340.511 3.372 20 0 EGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1[C@H]3CCO[C@@H]3C13CCCC3)C2 ZINC000245624555 455343565 /nfs/dbraw/zinc/34/35/65/455343565.db2.gz PTDOHJYGJXIECD-NJYVYQBISA-N 2 1 340.511 3.372 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)CC[N@H+]1C ZINC000181596061 455359586 /nfs/dbraw/zinc/35/95/86/455359586.db2.gz NEVVVPLGVOHRKL-CZUORRHYSA-N 2 1 330.394 3.338 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cncc(Br)c2)C[C@H]1n1ccnc1 ZINC000245739319 455369574 /nfs/dbraw/zinc/36/95/74/455369574.db2.gz XBIFYUDECXIWTL-SWLSCSKDSA-N 2 1 335.249 3.124 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cncc(Br)c2)C[C@H]1n1ccnc1 ZINC000245739319 455369578 /nfs/dbraw/zinc/36/95/78/455369578.db2.gz XBIFYUDECXIWTL-SWLSCSKDSA-N 2 1 335.249 3.124 20 0 EGADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000174370803 455383587 /nfs/dbraw/zinc/38/35/87/455383587.db2.gz ZOZAOKGJVROLME-LSTHTHJFSA-N 2 1 343.515 3.052 20 0 EGADMP CCc1cc2c(C[NH2+]C3CC[NH+](C(C)C)CC3)cc(=O)oc2cc1O ZINC000182005492 455413957 /nfs/dbraw/zinc/41/39/57/455413957.db2.gz UNPWMTNVKJXTQZ-UHFFFAOYSA-N 2 1 344.455 3.023 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000246069622 455421520 /nfs/dbraw/zinc/42/15/20/455421520.db2.gz DVAWHFXVBYNVNO-PXNSSMCTSA-N 2 1 341.499 3.461 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000246069622 455421523 /nfs/dbraw/zinc/42/15/23/455421523.db2.gz DVAWHFXVBYNVNO-PXNSSMCTSA-N 2 1 341.499 3.461 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=O)CSCC[NH+](CC)CC)c2C1 ZINC000266829029 455459757 /nfs/dbraw/zinc/45/97/57/455459757.db2.gz LKDONQBVFNNBDN-UHFFFAOYSA-N 2 1 349.544 3.426 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)CSCC[NH+](CC)CC)c2C1 ZINC000266829029 455459763 /nfs/dbraw/zinc/45/97/63/455459763.db2.gz LKDONQBVFNNBDN-UHFFFAOYSA-N 2 1 349.544 3.426 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246269534 455461142 /nfs/dbraw/zinc/46/11/42/455461142.db2.gz UXSFNEGOCQWCJH-BBRMVZONSA-N 2 1 330.394 3.448 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000246275340 455462899 /nfs/dbraw/zinc/46/28/99/455462899.db2.gz MDBROHLIDFPDPC-RDGPPVDQSA-N 2 1 337.552 3.158 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)[C@@H](C)C1 ZINC000246320426 455471292 /nfs/dbraw/zinc/47/12/92/455471292.db2.gz FIEDFRFFGQTYRJ-DOTOQJQBSA-N 2 1 344.528 3.458 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c(C)c1 ZINC000266968354 455484811 /nfs/dbraw/zinc/48/48/11/455484811.db2.gz YTWHELGSHBJBJT-MRXNPFEDSA-N 2 1 326.444 3.153 20 0 EGADMP Cc1cc(C)c(NC(=O)CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000266968354 455484816 /nfs/dbraw/zinc/48/48/16/455484816.db2.gz YTWHELGSHBJBJT-MRXNPFEDSA-N 2 1 326.444 3.153 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000246832482 455528252 /nfs/dbraw/zinc/52/82/52/455528252.db2.gz BTIOXDBXXIVDKI-RMVXJAJNSA-N 2 1 331.548 3.258 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Br)s2)[C@@H](C)C1 ZINC000246839161 455529193 /nfs/dbraw/zinc/52/91/93/455529193.db2.gz CBFMXLIUIHETSC-WCQYABFASA-N 2 1 331.323 3.373 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000185623952 455586555 /nfs/dbraw/zinc/58/65/55/455586555.db2.gz KBSJQQKJHIURNE-SMDDNHRTSA-N 2 1 332.414 3.197 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000185623952 455586559 /nfs/dbraw/zinc/58/65/59/455586559.db2.gz KBSJQQKJHIURNE-SMDDNHRTSA-N 2 1 332.414 3.197 20 0 EGADMP C[C@@H](NCC(=O)N(C)CC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682388 455595743 /nfs/dbraw/zinc/59/57/43/455595743.db2.gz KHWQMJZYJJBVEZ-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N(C)CC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682388 455595750 /nfs/dbraw/zinc/59/57/50/455595750.db2.gz KHWQMJZYJJBVEZ-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N(C)CC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682388 455595754 /nfs/dbraw/zinc/59/57/54/455595754.db2.gz KHWQMJZYJJBVEZ-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCN(CC)C(=O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271487066 455656610 /nfs/dbraw/zinc/65/66/10/455656610.db2.gz OKOJQNZMZUNVEQ-QUCCMNQESA-N 2 1 345.531 3.278 20 0 EGADMP CCN(CC)C(=O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271487066 455656614 /nfs/dbraw/zinc/65/66/14/455656614.db2.gz OKOJQNZMZUNVEQ-QUCCMNQESA-N 2 1 345.531 3.278 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc(-c3ccncc3)cs2)[C@@H](C)C1 ZINC000271563703 455685962 /nfs/dbraw/zinc/68/59/62/455685962.db2.gz YEECFEHULNNHDF-GOEBONIOSA-N 2 1 330.501 3.068 20 0 EGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1F ZINC000248200499 455698097 /nfs/dbraw/zinc/69/80/97/455698097.db2.gz YNJHYJAIPULZOI-MAUKXSAKSA-N 2 1 326.431 3.242 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CCN1C(=O)OC(C)(C)C ZINC000278293293 455808652 /nfs/dbraw/zinc/80/86/52/455808652.db2.gz BYMBDSXQMJPAIS-ZBFHGGJFSA-N 2 1 348.491 3.025 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCc3ccc(O)cc32)C[C@H](C)O1 ZINC000285314840 455823038 /nfs/dbraw/zinc/82/30/38/455823038.db2.gz SUFZFIXCFYHPDW-YRNRMSPPSA-N 2 1 332.488 3.249 20 0 EGADMP Cc1cnn(C)c1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000285551407 455867659 /nfs/dbraw/zinc/86/76/59/455867659.db2.gz UPWDBWOCIPLHJM-KRWDZBQOSA-N 2 1 326.488 3.393 20 0 EGADMP CCOC[C@@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@H](COCC)C2)C1 ZINC000255519240 455869538 /nfs/dbraw/zinc/86/95/38/455869538.db2.gz OWHUOWDCJWXLDS-GGJLBNBESA-N 2 1 338.536 3.040 20 0 EGADMP CCOC[C@@H]1CCC[N@@H+](C/C=C\C[NH+]2CCC[C@H](COCC)C2)C1 ZINC000255519240 455869542 /nfs/dbraw/zinc/86/95/42/455869542.db2.gz OWHUOWDCJWXLDS-GGJLBNBESA-N 2 1 338.536 3.040 20 0 EGADMP CCOC[C@@H]1CCC[N@H+](C/C=C\C[NH+]2CCC[C@H](COCC)C2)C1 ZINC000255519240 455869546 /nfs/dbraw/zinc/86/95/46/455869546.db2.gz OWHUOWDCJWXLDS-GGJLBNBESA-N 2 1 338.536 3.040 20 0 EGADMP C[C@H]([NH2+]Cc1cnc(N(C)C)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272194153 455873168 /nfs/dbraw/zinc/87/31/68/455873168.db2.gz NDXHEQIQWBCHFU-DOTOQJQBSA-N 2 1 344.528 3.209 20 0 EGADMP C[C@H]([NH2+]Cc1cnc(N(C)C)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272194153 455873171 /nfs/dbraw/zinc/87/31/71/455873171.db2.gz NDXHEQIQWBCHFU-DOTOQJQBSA-N 2 1 344.528 3.209 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OC(F)F ZINC000261605138 455910877 /nfs/dbraw/zinc/91/08/77/455910877.db2.gz AEFAIUQPSDQPQH-TZMCWYRMSA-N 2 1 328.403 3.103 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Br)c4cccnc34)C[C@H]12 ZINC000261612661 455913175 /nfs/dbraw/zinc/91/31/75/455913175.db2.gz FEAGHVSYXSZCDQ-HZUKXOBISA-N 2 1 346.272 3.166 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Br)c4cccnc34)C[C@H]12 ZINC000261612661 455913179 /nfs/dbraw/zinc/91/31/79/455913179.db2.gz FEAGHVSYXSZCDQ-HZUKXOBISA-N 2 1 346.272 3.166 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000261637709 455918381 /nfs/dbraw/zinc/91/83/81/455918381.db2.gz DLTWOEBERZNDPW-MJGOQNOKSA-N 2 1 345.531 3.263 20 0 EGADMP Cc1cnn(CCCCC[N@H+](C)CCCN(C)Cc2ccco2)c1 ZINC000285853131 455928517 /nfs/dbraw/zinc/92/85/17/455928517.db2.gz XYQYCUGDWRZVJI-UHFFFAOYSA-N 2 1 332.492 3.409 20 0 EGADMP Cc1nc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000272378432 455931495 /nfs/dbraw/zinc/93/14/95/455931495.db2.gz BMOLYBYCHXWUQB-YJBOKZPZSA-N 2 1 329.513 3.494 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCOC4(CCC4)C3)c2)CCO1 ZINC000296434666 455937560 /nfs/dbraw/zinc/93/75/60/455937560.db2.gz NJAUTHACZVLAMW-PXNSSMCTSA-N 2 1 344.499 3.099 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCOC4(CCC4)C3)c2)CCO1 ZINC000296434666 455937562 /nfs/dbraw/zinc/93/75/62/455937562.db2.gz NJAUTHACZVLAMW-PXNSSMCTSA-N 2 1 344.499 3.099 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)[C@@H](C)C1 ZINC000280308928 455944223 /nfs/dbraw/zinc/94/42/23/455944223.db2.gz PKIJOMRDWVWWHW-YOEHRIQHSA-N 2 1 344.421 3.490 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC[C@H]3CC[NH2+]C3)cc2)C1 ZINC000261783511 455947296 /nfs/dbraw/zinc/94/72/96/455947296.db2.gz BKYQNIFURYIIRM-SJORKVTESA-N 2 1 329.488 3.247 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261855870 455959533 /nfs/dbraw/zinc/95/95/33/455959533.db2.gz NWHHDADVVZXYSC-ROUUACIJSA-N 2 1 343.515 3.067 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1)C(C)C ZINC000261872394 455962480 /nfs/dbraw/zinc/96/24/80/455962480.db2.gz SNFXUVZULIODGR-QFBILLFUSA-N 2 1 331.504 3.116 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272502914 455972551 /nfs/dbraw/zinc/97/25/51/455972551.db2.gz LNFFQACZUNRIMI-QWFCFKBJSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261983538 455981028 /nfs/dbraw/zinc/98/10/28/455981028.db2.gz RPAIZEHKFLRPFI-YPMHNXCESA-N 2 1 338.377 3.265 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261982920 455981602 /nfs/dbraw/zinc/98/16/02/455981602.db2.gz JLCILDNPHNNGCX-SFHVURJKSA-N 2 1 330.863 3.020 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261982920 455981607 /nfs/dbraw/zinc/98/16/07/455981607.db2.gz JLCILDNPHNNGCX-SFHVURJKSA-N 2 1 330.863 3.020 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H](C)Cc3ccccc3F)CC2)nc(C)[nH+]1 ZINC000188115219 456000432 /nfs/dbraw/zinc/00/04/32/456000432.db2.gz ANSNCWYVUWOZSI-AWEZNQCLSA-N 2 1 342.462 3.422 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000270904487 456063576 /nfs/dbraw/zinc/06/35/76/456063576.db2.gz RRSAUXJUQRQACX-HNNXBMFYSA-N 2 1 330.501 3.406 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000270904487 456063580 /nfs/dbraw/zinc/06/35/80/456063580.db2.gz RRSAUXJUQRQACX-HNNXBMFYSA-N 2 1 330.501 3.406 20 0 EGADMP NC(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000332512108 456085754 /nfs/dbraw/zinc/08/57/54/456085754.db2.gz DXORGCFMASRVSV-HKUYNNGSSA-N 2 1 329.488 3.377 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263258853 456116542 /nfs/dbraw/zinc/11/65/42/456116542.db2.gz QSWBEJZHGXWGRS-ICSRJNTNSA-N 2 1 331.504 3.051 20 0 EGADMP Cc1[nH+]ccn1CCN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272933519 456116911 /nfs/dbraw/zinc/11/69/11/456116911.db2.gz KGBOSPRNDQKMIS-INIZCTEOSA-N 2 1 339.361 3.284 20 0 EGADMP CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000236727919 456176250 /nfs/dbraw/zinc/17/62/50/456176250.db2.gz KRIYSVITWOBDQC-QFBILLFUSA-N 2 1 331.504 3.051 20 0 EGADMP Cc1[nH]c2ccccc2c1C1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000290042123 456224027 /nfs/dbraw/zinc/22/40/27/456224027.db2.gz RAGLWHYFQPRAIF-GOSISDBHSA-N 2 1 341.499 3.111 20 0 EGADMP Cc1[nH]c2ccccc2c1C1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000290042123 456224033 /nfs/dbraw/zinc/22/40/33/456224033.db2.gz RAGLWHYFQPRAIF-GOSISDBHSA-N 2 1 341.499 3.111 20 0 EGADMP C[N@H+](CCC[NH+]1CCCC1)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000281474080 456243966 /nfs/dbraw/zinc/24/39/66/456243966.db2.gz WFIARNPOAOPLOP-UHFFFAOYSA-N 2 1 348.878 3.350 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000281474080 456243972 /nfs/dbraw/zinc/24/39/72/456243972.db2.gz WFIARNPOAOPLOP-UHFFFAOYSA-N 2 1 348.878 3.350 20 0 EGADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000281477209 456245345 /nfs/dbraw/zinc/24/53/45/456245345.db2.gz VFAPIGIINOYUNU-HXUWFJFHSA-N 2 1 340.515 3.427 20 0 EGADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000281477209 456245348 /nfs/dbraw/zinc/24/53/48/456245348.db2.gz VFAPIGIINOYUNU-HXUWFJFHSA-N 2 1 340.515 3.427 20 0 EGADMP COCCCOc1cccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290289005 456280857 /nfs/dbraw/zinc/28/08/57/456280857.db2.gz ADWRYUMTPIUJAR-HXUWFJFHSA-N 2 1 346.515 3.266 20 0 EGADMP CSc1cc2c(cc1C[N@@H+]1CCC[C@@H]3C[NH+](C)CC[C@@H]31)OCCO2 ZINC000290313756 456288992 /nfs/dbraw/zinc/28/89/92/456288992.db2.gz CJAUXBNOPHWQLP-ZBFHGGJFSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[N@H+]1CCC[C@@H]3C[NH+](C)CC[C@@H]31)OCCO2 ZINC000290313756 456288998 /nfs/dbraw/zinc/28/89/98/456288998.db2.gz CJAUXBNOPHWQLP-ZBFHGGJFSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[NH+]1CCC[C@@H]3C[N@H+](C)CC[C@@H]31)OCCO2 ZINC000290313756 456289003 /nfs/dbraw/zinc/28/90/03/456289003.db2.gz CJAUXBNOPHWQLP-ZBFHGGJFSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[NH+]1CCC[C@@H]3C[N@@H+](C)CC[C@@H]31)OCCO2 ZINC000290313756 456289010 /nfs/dbraw/zinc/28/90/10/456289010.db2.gz CJAUXBNOPHWQLP-ZBFHGGJFSA-N 2 1 348.512 3.096 20 0 EGADMP CC[C@H]1Oc2cc([C@H](C)[NH2+]C3CC[NH+](C4CC4)CC3)ccc2NC1=O ZINC000297766796 456290229 /nfs/dbraw/zinc/29/02/29/456290229.db2.gz VIHREOJKSHSHCX-SCLBCKFNSA-N 2 1 343.471 3.074 20 0 EGADMP CCc1cc(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)nc(C)[nH+]1 ZINC000302116282 456290604 /nfs/dbraw/zinc/29/06/04/456290604.db2.gz WFBYCLGTDWWTOU-UHFFFAOYSA-N 2 1 339.487 3.485 20 0 EGADMP CCc1cc(N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000302121985 456292496 /nfs/dbraw/zinc/29/24/96/456292496.db2.gz YILGYFYTOVXXGA-IYBDPMFKSA-N 2 1 346.519 3.063 20 0 EGADMP CCc1cc(N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000302121985 456292503 /nfs/dbraw/zinc/29/25/03/456292503.db2.gz YILGYFYTOVXXGA-IYBDPMFKSA-N 2 1 346.519 3.063 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]CCCCOc2ccc(F)cc2)s1 ZINC000352778837 456298267 /nfs/dbraw/zinc/29/82/67/456298267.db2.gz IPYOHPQIHRPKKO-UHFFFAOYSA-N 2 1 337.464 3.293 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(Cc2ccccc2CO)CC1 ZINC000347683149 456303356 /nfs/dbraw/zinc/30/33/56/456303356.db2.gz QBIMSMVCPAHNNS-NRFANRHFSA-N 2 1 330.516 3.308 20 0 EGADMP C[N@H+]1CC[C@H](NC2CC[NH+](C3CCC3)CC2)C[C@@H]1c1ccccc1 ZINC000340204644 456312868 /nfs/dbraw/zinc/31/28/68/456312868.db2.gz YFCHOCLILCQHCC-PZJWPPBQSA-N 2 1 327.516 3.428 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2cc[nH+]cc2C(N)=O)cc1 ZINC000302214320 456319213 /nfs/dbraw/zinc/31/92/13/456319213.db2.gz IJCZXQBBSNWTSA-OAHLLOKOSA-N 2 1 338.455 3.167 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCOCC2CCOCC2)C[C@H]1c1ccccc1 ZINC000340251405 456342523 /nfs/dbraw/zinc/34/25/23/456342523.db2.gz PMSCWMVSVVWSDK-RTWAWAEBSA-N 2 1 346.515 3.245 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CCCOCC2CCOCC2)C[C@H]1c1ccccc1 ZINC000340251405 456342528 /nfs/dbraw/zinc/34/25/28/456342528.db2.gz PMSCWMVSVVWSDK-RTWAWAEBSA-N 2 1 346.515 3.245 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](Nc3cc[nH+]c(C)c3)C2)cc(OC)c1 ZINC000302586830 456362985 /nfs/dbraw/zinc/36/29/85/456362985.db2.gz UXIQXTILUFVHOU-QGZVFWFLSA-N 2 1 327.428 3.094 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000347810604 456380258 /nfs/dbraw/zinc/38/02/58/456380258.db2.gz BARDOJIFTIZVAO-ICSRJNTNSA-N 2 1 345.531 3.134 20 0 EGADMP COCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000282029621 456394064 /nfs/dbraw/zinc/39/40/64/456394064.db2.gz FJMKQQJHUXFQPO-CTNGQTDRSA-N 2 1 330.516 3.488 20 0 EGADMP CCCN(C(=O)C[NH+](CC)CC)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000337604231 456416593 /nfs/dbraw/zinc/41/65/93/456416593.db2.gz OVSRCACLQJPASE-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000352925669 456418462 /nfs/dbraw/zinc/41/84/62/456418462.db2.gz PXSZTFWOZWBTBC-UHFFFAOYSA-N 2 1 335.398 3.373 20 0 EGADMP C[C@@H](c1cccc(NC2CC[NH+](C3CC3)CC2)c1)[NH+]1CCOCC1 ZINC000298320950 456424224 /nfs/dbraw/zinc/42/42/24/456424224.db2.gz IHZVTSJHOLFSDS-INIZCTEOSA-N 2 1 329.488 3.119 20 0 EGADMP COc1ncccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340386641 456431403 /nfs/dbraw/zinc/43/14/03/456431403.db2.gz FCZQSCOCJBNAHX-RTBURBONSA-N 2 1 325.456 3.058 20 0 EGADMP COc1ncccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340386641 456431412 /nfs/dbraw/zinc/43/14/12/456431412.db2.gz FCZQSCOCJBNAHX-RTBURBONSA-N 2 1 325.456 3.058 20 0 EGADMP C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348009429 456436764 /nfs/dbraw/zinc/43/67/64/456436764.db2.gz OJNTZMIFMJOKSB-LRQRDZAKSA-N 2 1 342.458 3.359 20 0 EGADMP C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348009429 456436770 /nfs/dbraw/zinc/43/67/70/456436770.db2.gz OJNTZMIFMJOKSB-LRQRDZAKSA-N 2 1 342.458 3.359 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1cc[nH]c(=O)c1 ZINC000340448853 456468588 /nfs/dbraw/zinc/46/85/88/456468588.db2.gz PVKNWYHPLGGOMZ-YGWPLHOASA-N 2 1 337.467 3.348 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NCc1ccccc1N1CC[NH+](CC)CC1 ZINC000353074531 456473657 /nfs/dbraw/zinc/47/36/57/456473657.db2.gz UICVRBJMALFEJQ-LJQANCHMSA-N 2 1 346.563 3.039 20 0 EGADMP CCCN(CC)C[C@@H](C)[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000353074531 456473664 /nfs/dbraw/zinc/47/36/64/456473664.db2.gz UICVRBJMALFEJQ-LJQANCHMSA-N 2 1 346.563 3.039 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000298621925 456502059 /nfs/dbraw/zinc/50/20/59/456502059.db2.gz PFIWOURJAIJSTQ-BBWFWOEESA-N 2 1 347.503 3.135 20 0 EGADMP C[N@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000291075133 456518665 /nfs/dbraw/zinc/51/86/65/456518665.db2.gz FUMWOCGYFYJCOW-WFVVYAPDSA-N 2 1 342.405 3.296 20 0 EGADMP C[N@@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000291075133 456518669 /nfs/dbraw/zinc/51/86/69/456518669.db2.gz FUMWOCGYFYJCOW-WFVVYAPDSA-N 2 1 342.405 3.296 20 0 EGADMP C[NH+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000291075133 456518676 /nfs/dbraw/zinc/51/86/76/456518676.db2.gz FUMWOCGYFYJCOW-WFVVYAPDSA-N 2 1 342.405 3.296 20 0 EGADMP C[NH+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000291075133 456518682 /nfs/dbraw/zinc/51/86/82/456518682.db2.gz FUMWOCGYFYJCOW-WFVVYAPDSA-N 2 1 342.405 3.296 20 0 EGADMP CCOc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc(Cl)c1O ZINC000298716900 456524520 /nfs/dbraw/zinc/52/45/20/456524520.db2.gz XVRPXJXVDDQYSW-ZDUSSCGKSA-N 2 1 326.868 3.266 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000340592791 456554756 /nfs/dbraw/zinc/55/47/56/456554756.db2.gz WCQXELFFEHAHOW-FQEVSTJZSA-N 2 1 345.531 3.404 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000340592791 456554764 /nfs/dbraw/zinc/55/47/64/456554764.db2.gz WCQXELFFEHAHOW-FQEVSTJZSA-N 2 1 345.531 3.404 20 0 EGADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2OC)CC1 ZINC000340601565 456562373 /nfs/dbraw/zinc/56/23/73/456562373.db2.gz XGQYCSYDKJHTOZ-MRXNPFEDSA-N 2 1 347.503 3.076 20 0 EGADMP O[C@]1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000348250120 456570755 /nfs/dbraw/zinc/57/07/55/456570755.db2.gz WCRDCQZYFQOPDQ-FKBYEOEOSA-N 2 1 336.479 3.017 20 0 EGADMP O[C@]1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000348250120 456570763 /nfs/dbraw/zinc/57/07/63/456570763.db2.gz WCRDCQZYFQOPDQ-FKBYEOEOSA-N 2 1 336.479 3.017 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000282737310 456607602 /nfs/dbraw/zinc/60/76/02/456607602.db2.gz FHJFDQROPQSRGK-UHFFFAOYSA-N 2 1 332.517 3.455 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000282737310 456607611 /nfs/dbraw/zinc/60/76/11/456607611.db2.gz FHJFDQROPQSRGK-UHFFFAOYSA-N 2 1 332.517 3.455 20 0 EGADMP O[C@]1(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CC[N@H+](Cc2ccccc2)C1 ZINC000337996636 456644244 /nfs/dbraw/zinc/64/42/44/456644244.db2.gz KVXNGFOXIQHSPR-AQNXPRMDSA-N 2 1 334.479 3.131 20 0 EGADMP O[C@]1(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CC[N@@H+](Cc2ccccc2)C1 ZINC000337996636 456644251 /nfs/dbraw/zinc/64/42/51/456644251.db2.gz KVXNGFOXIQHSPR-AQNXPRMDSA-N 2 1 334.479 3.131 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)CC1 ZINC000282850282 456644983 /nfs/dbraw/zinc/64/49/83/456644983.db2.gz BEZRUNLKPSCRAV-IFMALSPDSA-N 2 1 343.559 3.356 20 0 EGADMP CCn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000291461804 456650731 /nfs/dbraw/zinc/65/07/31/456650731.db2.gz NRMMLXPZNJBORR-UHFFFAOYSA-N 2 1 338.499 3.391 20 0 EGADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000282879086 456654252 /nfs/dbraw/zinc/65/42/52/456654252.db2.gz VPPLVPKJXAFGFZ-PCCBWWKXSA-N 2 1 346.515 3.072 20 0 EGADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000282879086 456654261 /nfs/dbraw/zinc/65/42/61/456654261.db2.gz VPPLVPKJXAFGFZ-PCCBWWKXSA-N 2 1 346.515 3.072 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000299367164 456671426 /nfs/dbraw/zinc/67/14/26/456671426.db2.gz KBTCNPKRIOCNPX-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000343522829 456681186 /nfs/dbraw/zinc/68/11/86/456681186.db2.gz KLLQRRPVZCDBJK-YLJYHZDGSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000343522829 456681190 /nfs/dbraw/zinc/68/11/90/456681190.db2.gz KLLQRRPVZCDBJK-YLJYHZDGSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000343522829 456681191 /nfs/dbraw/zinc/68/11/91/456681191.db2.gz KLLQRRPVZCDBJK-YLJYHZDGSA-N 2 1 343.515 3.030 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000299431808 456691533 /nfs/dbraw/zinc/69/15/33/456691533.db2.gz LUOGMKUPFYDELM-FQEVSTJZSA-N 2 1 337.467 3.351 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000338195561 456698010 /nfs/dbraw/zinc/69/80/10/456698010.db2.gz ZRGDYIYIPQXCSX-FQEVSTJZSA-N 2 1 343.515 3.275 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCc3c2c(F)ccc3F)C[C@H](C)O1 ZINC000338202332 456702974 /nfs/dbraw/zinc/70/29/74/456702974.db2.gz ZNUHOAOVTJMYBB-QWQRMKEZSA-N 2 1 338.442 3.431 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+](C)CCCn1cc[nH+]c1C ZINC000299723954 456773376 /nfs/dbraw/zinc/77/33/76/456773376.db2.gz TXBQAMISCXWYCF-UHFFFAOYSA-N 2 1 346.500 3.264 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000299723954 456773381 /nfs/dbraw/zinc/77/33/81/456773381.db2.gz TXBQAMISCXWYCF-UHFFFAOYSA-N 2 1 346.500 3.264 20 0 EGADMP CC(C)[C@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+](C)C ZINC000348671540 456809020 /nfs/dbraw/zinc/80/90/20/456809020.db2.gz XKGBSLYSKUCZML-YLJYHZDGSA-N 2 1 345.531 3.263 20 0 EGADMP CC(C)[C@@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C ZINC000348671531 456809622 /nfs/dbraw/zinc/80/96/22/456809622.db2.gz XKGBSLYSKUCZML-PXNSSMCTSA-N 2 1 345.531 3.263 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1c(C)nc2ccccc21 ZINC000338423716 456810059 /nfs/dbraw/zinc/81/00/59/456810059.db2.gz NOVSYLPJEBXYNZ-QGZVFWFLSA-N 2 1 342.487 3.116 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000338435602 456818965 /nfs/dbraw/zinc/81/89/65/456818965.db2.gz KPXFINZUTNLHLK-QGZVFWFLSA-N 2 1 326.488 3.217 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000291996919 456823961 /nfs/dbraw/zinc/82/39/61/456823961.db2.gz ALNOZCWMYYLIHJ-LPHOPBHVSA-N 2 1 331.435 3.478 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc2cccc(C)n12 ZINC000349199841 456911702 /nfs/dbraw/zinc/91/17/02/456911702.db2.gz YRIDDHKVNGDRDV-UHFFFAOYSA-N 2 1 325.460 3.314 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc2cccc(C)n12 ZINC000349199841 456911704 /nfs/dbraw/zinc/91/17/04/456911704.db2.gz YRIDDHKVNGDRDV-UHFFFAOYSA-N 2 1 325.460 3.314 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2cnn3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC000353882206 456948192 /nfs/dbraw/zinc/94/81/92/456948192.db2.gz QXURGVXGLOSBMJ-PXNSSMCTSA-N 2 1 334.467 3.477 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2cnn3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000353882206 456948197 /nfs/dbraw/zinc/94/81/97/456948197.db2.gz QXURGVXGLOSBMJ-PXNSSMCTSA-N 2 1 334.467 3.477 20 0 EGADMP CC[N@H+](Cc1cc(Br)ccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000345184871 456958090 /nfs/dbraw/zinc/95/80/90/456958090.db2.gz YJFVGUQNXSDJRE-OAHLLOKOSA-N 2 1 341.293 3.422 20 0 EGADMP CC[N@@H+](Cc1cc(Br)ccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000345184871 456958092 /nfs/dbraw/zinc/95/80/92/456958092.db2.gz YJFVGUQNXSDJRE-OAHLLOKOSA-N 2 1 341.293 3.422 20 0 EGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000349387512 456960651 /nfs/dbraw/zinc/96/06/51/456960651.db2.gz WASDHHWETPVYQJ-UHFFFAOYSA-N 2 1 326.868 3.275 20 0 EGADMP Cc1cc(F)ccc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000354032478 457022494 /nfs/dbraw/zinc/02/24/94/457022494.db2.gz ARGGXFGBVYUVPE-UHFFFAOYSA-N 2 1 333.495 3.125 20 0 EGADMP CC[C@H](C(=O)NC[C@H](C)C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000339260929 457024730 /nfs/dbraw/zinc/02/47/30/457024730.db2.gz OBWGEBKSOAMOAQ-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@@H](C(=O)NC[C@H](C)C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000339260930 457024827 /nfs/dbraw/zinc/02/48/27/457024827.db2.gz OBWGEBKSOAMOAQ-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000346303645 457029839 /nfs/dbraw/zinc/02/98/39/457029839.db2.gz BJADINJZNHVVKP-FQEVSTJZSA-N 2 1 327.472 3.224 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000346303645 457029844 /nfs/dbraw/zinc/02/98/44/457029844.db2.gz BJADINJZNHVVKP-FQEVSTJZSA-N 2 1 327.472 3.224 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1)c1ccccc1 ZINC000341991008 457046140 /nfs/dbraw/zinc/04/61/40/457046140.db2.gz ZEOAPWQBRYUBLG-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1)c1ccccc1 ZINC000341991008 457046145 /nfs/dbraw/zinc/04/61/45/457046145.db2.gz ZEOAPWQBRYUBLG-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000341991008 457046149 /nfs/dbraw/zinc/04/61/49/457046149.db2.gz ZEOAPWQBRYUBLG-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000341991008 457046152 /nfs/dbraw/zinc/04/61/52/457046152.db2.gz ZEOAPWQBRYUBLG-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)OCC[C@@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000349881064 457091828 /nfs/dbraw/zinc/09/18/28/457091828.db2.gz LHVWOZNCEPWKEF-UYAOXDASSA-N 2 1 340.552 3.139 20 0 EGADMP Cc1ccc(-c2noc([C@H](C)[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)n2)cc1F ZINC000342105268 457110439 /nfs/dbraw/zinc/11/04/39/457110439.db2.gz OFFOBGVZJYKIAA-FAYQHZLMSA-N 2 1 344.434 3.304 20 0 EGADMP Cc1ccc(-c2noc([C@H](C)[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)n2)cc1F ZINC000342105268 457110449 /nfs/dbraw/zinc/11/04/49/457110449.db2.gz OFFOBGVZJYKIAA-FAYQHZLMSA-N 2 1 344.434 3.304 20 0 EGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000339426533 457110399 /nfs/dbraw/zinc/11/03/99/457110399.db2.gz NULZWIKZCBYUQS-FGZHOGPDSA-N 2 1 338.495 3.161 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000339426533 457110404 /nfs/dbraw/zinc/11/04/04/457110404.db2.gz NULZWIKZCBYUQS-FGZHOGPDSA-N 2 1 338.495 3.161 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000339426533 457110411 /nfs/dbraw/zinc/11/04/11/457110411.db2.gz NULZWIKZCBYUQS-FGZHOGPDSA-N 2 1 338.495 3.161 20 0 EGADMP Cc1ccccc1Cc1nnc(CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000362828330 457112325 /nfs/dbraw/zinc/11/23/25/457112325.db2.gz DVWISNHYFWYRKM-MRXNPFEDSA-N 2 1 337.427 3.072 20 0 EGADMP Cc1cc(-c2noc([C@H](C)[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)n2)ccc1F ZINC000342133170 457126721 /nfs/dbraw/zinc/12/67/21/457126721.db2.gz JTQTXKHHNJUPOI-MKVSYHDVSA-N 2 1 344.434 3.304 20 0 EGADMP Cc1cc(-c2noc([C@H](C)[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)n2)ccc1F ZINC000342133170 457126728 /nfs/dbraw/zinc/12/67/28/457126728.db2.gz JTQTXKHHNJUPOI-MKVSYHDVSA-N 2 1 344.434 3.304 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000354382104 457189303 /nfs/dbraw/zinc/18/93/03/457189303.db2.gz CNSIKYZTPBMERM-ICSRJNTNSA-N 2 1 345.531 3.276 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347062636 457211024 /nfs/dbraw/zinc/21/10/24/457211024.db2.gz ZZSJQLSJONHQLP-OXJNMPFZSA-N 2 1 340.515 3.416 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000360110030 457260421 /nfs/dbraw/zinc/26/04/21/457260421.db2.gz JQTDSUPQNIMSQR-UHFFFAOYSA-N 2 1 328.460 3.139 20 0 EGADMP CC(C)[NH+](CCN(C)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)C(C)C ZINC000357050481 457298465 /nfs/dbraw/zinc/29/84/65/457298465.db2.gz AHHBCALDMKAUIH-GOSISDBHSA-N 2 1 345.531 3.010 20 0 EGADMP C[C@@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000357106612 457325825 /nfs/dbraw/zinc/32/58/25/457325825.db2.gz DBIXDSNHWIAKIB-ZRSRNVLSSA-N 2 1 337.552 3.122 20 0 EGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000352016492 457332981 /nfs/dbraw/zinc/33/29/81/457332981.db2.gz XPKVNUJRIVEHGQ-UHFFFAOYSA-N 2 1 349.381 3.196 20 0 EGADMP Cc1[nH+]ccc(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1Cl ZINC000357173776 457358573 /nfs/dbraw/zinc/35/85/73/457358573.db2.gz PBSVYQPTUOPKOQ-AWEZNQCLSA-N 2 1 345.874 3.298 20 0 EGADMP Cc1[nH+]ccc(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1Cl ZINC000357173776 457358577 /nfs/dbraw/zinc/35/85/77/457358577.db2.gz PBSVYQPTUOPKOQ-AWEZNQCLSA-N 2 1 345.874 3.298 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347344518 457365014 /nfs/dbraw/zinc/36/50/14/457365014.db2.gz PFIDXAOBQKSDKS-ZWKOTPCHSA-N 2 1 345.512 3.472 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347344518 457365018 /nfs/dbraw/zinc/36/50/18/457365018.db2.gz PFIDXAOBQKSDKS-ZWKOTPCHSA-N 2 1 345.512 3.472 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000378249660 457384819 /nfs/dbraw/zinc/38/48/19/457384819.db2.gz YAZNQENQYBATQZ-UZLBHIALSA-N 2 1 347.934 3.428 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000347381379 457390722 /nfs/dbraw/zinc/39/07/22/457390722.db2.gz ROJBRDNFCQAFGJ-IBGZPJMESA-N 2 1 333.520 3.305 20 0 EGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000352505205 457423573 /nfs/dbraw/zinc/42/35/73/457423573.db2.gz YWFGVKHVRNVPQU-IBGZPJMESA-N 2 1 329.488 3.016 20 0 EGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000352503990 457423622 /nfs/dbraw/zinc/42/36/22/457423622.db2.gz LYSVOVAKXQJDDK-LJQANCHMSA-N 2 1 325.456 3.364 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)C2CC[NH+](CC)CC2)cc1 ZINC000357291456 457423944 /nfs/dbraw/zinc/42/39/44/457423944.db2.gz DTMMMCCJSWWRLP-UHFFFAOYSA-N 2 1 345.531 3.475 20 0 EGADMP CCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000347461532 457444232 /nfs/dbraw/zinc/44/42/32/457444232.db2.gz VZVQONMQWSNETM-APWZRJJASA-N 2 1 331.504 3.195 20 0 EGADMP Clc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352541464 457450852 /nfs/dbraw/zinc/45/08/52/457450852.db2.gz YEJLRHMQWIHSQQ-GOSISDBHSA-N 2 1 330.863 3.306 20 0 EGADMP Clc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352541464 457450855 /nfs/dbraw/zinc/45/08/55/457450855.db2.gz YEJLRHMQWIHSQQ-GOSISDBHSA-N 2 1 330.863 3.306 20 0 EGADMP CC[C@@H](C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000425232696 457466710 /nfs/dbraw/zinc/46/67/10/457466710.db2.gz FPICVQIGZVAZJE-XLIONFOSSA-N 2 1 345.531 3.086 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCc1ccc(F)cc1Cl ZINC000356124176 457468074 /nfs/dbraw/zinc/46/80/74/457468074.db2.gz PBMWIJUNVARUBU-KBAYOESNSA-N 2 1 340.870 3.205 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCc1ccc(F)cc1Cl ZINC000356124176 457468078 /nfs/dbraw/zinc/46/80/78/457468078.db2.gz PBMWIJUNVARUBU-KBAYOESNSA-N 2 1 340.870 3.205 20 0 EGADMP c1ccc2[nH+]c(NCc3ccc(OCC[NH+]4CCCC4)cc3)[nH]c2c1 ZINC000342706573 457469532 /nfs/dbraw/zinc/46/95/32/457469532.db2.gz UKPUCDCJVAVLRT-UHFFFAOYSA-N 2 1 336.439 3.072 20 0 EGADMP CN(C(=O)c1ccc2c(c1)C[NH2+]C2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000347529624 457487702 /nfs/dbraw/zinc/48/77/02/457487702.db2.gz NEYHFTRRMZUBKE-OAQYLSRUSA-N 2 1 349.478 3.026 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000357409135 457503720 /nfs/dbraw/zinc/50/37/20/457503720.db2.gz HOPOBWRZZVGGJN-LPHOPBHVSA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000357409135 457503727 /nfs/dbraw/zinc/50/37/27/457503727.db2.gz HOPOBWRZZVGGJN-LPHOPBHVSA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000357409135 457503730 /nfs/dbraw/zinc/50/37/30/457503730.db2.gz HOPOBWRZZVGGJN-LPHOPBHVSA-N 2 1 331.504 3.131 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])ccc1OC(F)F ZINC000404444552 457543677 /nfs/dbraw/zinc/54/36/77/457543677.db2.gz WUPXXUTVHYMPIY-GXTWGEPZSA-N 2 1 328.403 3.246 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)s1 ZINC000352712819 457550908 /nfs/dbraw/zinc/55/09/08/457550908.db2.gz PURXCTZCHDQORV-MRXNPFEDSA-N 2 1 344.528 3.211 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000356423258 457618961 /nfs/dbraw/zinc/61/89/61/457618961.db2.gz KTOJTRAYEWXPHR-FXAWDEMLSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000410367889 457639228 /nfs/dbraw/zinc/63/92/28/457639228.db2.gz LPMNIGUPHQMYRQ-HXUWFJFHSA-N 2 1 331.548 3.418 20 0 EGADMP Cc1cc(F)ccc1CN(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425918200 457651298 /nfs/dbraw/zinc/65/12/98/457651298.db2.gz DNRQHVJUYAGUMH-OAQYLSRUSA-N 2 1 342.458 3.203 20 0 EGADMP Cc1cc(F)ccc1C[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425918200 457651303 /nfs/dbraw/zinc/65/13/03/457651303.db2.gz DNRQHVJUYAGUMH-OAQYLSRUSA-N 2 1 342.458 3.203 20 0 EGADMP Cc1cc(F)ccc1C[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425918200 457651308 /nfs/dbraw/zinc/65/13/08/457651308.db2.gz DNRQHVJUYAGUMH-OAQYLSRUSA-N 2 1 342.458 3.203 20 0 EGADMP Cc1nc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c(C)o1 ZINC000357777823 457685789 /nfs/dbraw/zinc/68/57/89/457685789.db2.gz KENDQRUKXXPVIM-UHFFFAOYSA-N 2 1 345.462 3.270 20 0 EGADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000370631065 457686358 /nfs/dbraw/zinc/68/63/58/457686358.db2.gz ZVFSZLMQQVRINL-SFTDATJTSA-N 2 1 329.532 3.248 20 0 EGADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000370631061 457686495 /nfs/dbraw/zinc/68/64/95/457686495.db2.gz ZVFSZLMQQVRINL-LEWJYISDSA-N 2 1 329.532 3.248 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370670590 457696525 /nfs/dbraw/zinc/69/65/25/457696525.db2.gz FDXJUYUYLSBZDX-RYQLBKOJSA-N 2 1 329.488 3.183 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1CCCCn1cc[nH+]c1C ZINC000365321818 457742131 /nfs/dbraw/zinc/74/21/31/457742131.db2.gz INFONNSDZJCWHS-OALUTQOASA-N 2 1 341.455 3.350 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1CCCCn1cc[nH+]c1C ZINC000365321818 457742136 /nfs/dbraw/zinc/74/21/36/457742136.db2.gz INFONNSDZJCWHS-OALUTQOASA-N 2 1 341.455 3.350 20 0 EGADMP C[C@@H]1C[C@@H](N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000358021336 457742337 /nfs/dbraw/zinc/74/23/37/457742337.db2.gz NKHTUCJRNOWLAH-LSTHTHJFSA-N 2 1 337.467 3.439 20 0 EGADMP O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000433176505 457769440 /nfs/dbraw/zinc/76/94/40/457769440.db2.gz SEIRVVNGHLRRQB-LJQANCHMSA-N 2 1 335.536 3.166 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358155851 457821905 /nfs/dbraw/zinc/82/19/05/457821905.db2.gz PEPMHAWFWRXNBO-UMVBOHGHSA-N 2 1 336.430 3.292 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1O ZINC000426401490 457822975 /nfs/dbraw/zinc/82/29/75/457822975.db2.gz PSFGRFURNGBQHZ-ULQDDVLXSA-N 2 1 334.504 3.432 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1O ZINC000426401490 457822984 /nfs/dbraw/zinc/82/29/84/457822984.db2.gz PSFGRFURNGBQHZ-ULQDDVLXSA-N 2 1 334.504 3.432 20 0 EGADMP COCCOC[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411291905 457850777 /nfs/dbraw/zinc/85/07/77/457850777.db2.gz JQTSUKBSYRCHPQ-OAQYLSRUSA-N 2 1 346.515 3.157 20 0 EGADMP OC1(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCC1 ZINC000411334800 457859074 /nfs/dbraw/zinc/85/90/74/457859074.db2.gz ZHIANYCGVVQREU-VQTJNVASSA-N 2 1 328.500 3.278 20 0 EGADMP OC1(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000411334800 457859080 /nfs/dbraw/zinc/85/90/80/457859080.db2.gz ZHIANYCGVVQREU-VQTJNVASSA-N 2 1 328.500 3.278 20 0 EGADMP OC1(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000411334800 457859085 /nfs/dbraw/zinc/85/90/85/457859085.db2.gz ZHIANYCGVVQREU-VQTJNVASSA-N 2 1 328.500 3.278 20 0 EGADMP CCC[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000358252249 457888756 /nfs/dbraw/zinc/88/87/56/457888756.db2.gz LNPHERHEFGRVJK-HOTGVXAUSA-N 2 1 331.287 3.491 20 0 EGADMP CCC[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(Cl)cc1Cl ZINC000358252249 457888766 /nfs/dbraw/zinc/88/87/66/457888766.db2.gz LNPHERHEFGRVJK-HOTGVXAUSA-N 2 1 331.287 3.491 20 0 EGADMP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358251779 457890118 /nfs/dbraw/zinc/89/01/18/457890118.db2.gz LKEVADDVYODVQM-HZPDHXFCSA-N 2 1 330.394 3.203 20 0 EGADMP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358251779 457890120 /nfs/dbraw/zinc/89/01/20/457890120.db2.gz LKEVADDVYODVQM-HZPDHXFCSA-N 2 1 330.394 3.203 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411516059 457908975 /nfs/dbraw/zinc/90/89/75/457908975.db2.gz JBHOWIOOEIILMB-SQNIBIBYSA-N 2 1 343.515 3.281 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411516059 457908980 /nfs/dbraw/zinc/90/89/80/457908980.db2.gz JBHOWIOOEIILMB-SQNIBIBYSA-N 2 1 343.515 3.281 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCc1cncs1 ZINC000411545907 457916520 /nfs/dbraw/zinc/91/65/20/457916520.db2.gz YPRFXOVOJUESRZ-MNZLEMJZSA-N 2 1 329.513 3.432 20 0 EGADMP O[C@@]1(C[NH2+][C@@H]2CCCc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000361877804 457924787 /nfs/dbraw/zinc/92/47/87/457924787.db2.gz SQTOCIOEDLBDPO-FGZHOGPDSA-N 2 1 336.479 3.291 20 0 EGADMP O[C@@]1(C[NH2+][C@@H]2CCCc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000361877804 457924794 /nfs/dbraw/zinc/92/47/94/457924794.db2.gz SQTOCIOEDLBDPO-FGZHOGPDSA-N 2 1 336.479 3.291 20 0 EGADMP CC1(C)Cc2occc2[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000358317682 457929022 /nfs/dbraw/zinc/92/90/22/457929022.db2.gz LJNYLFKYDCTVPP-KURKYZTESA-N 2 1 332.488 3.261 20 0 EGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361888452 457932166 /nfs/dbraw/zinc/93/21/66/457932166.db2.gz JJXDHBYHBNEIQT-ZPMCFJSWSA-N 2 1 336.479 3.147 20 0 EGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361888452 457932169 /nfs/dbraw/zinc/93/21/69/457932169.db2.gz JJXDHBYHBNEIQT-ZPMCFJSWSA-N 2 1 336.479 3.147 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@]2(CCOC2)O1 ZINC000411658585 457941706 /nfs/dbraw/zinc/94/17/06/457941706.db2.gz CPJAKSXCQMUXRJ-WIYYLYMNSA-N 2 1 344.499 3.052 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@]2(CCOC2)O1 ZINC000411658585 457941710 /nfs/dbraw/zinc/94/17/10/457941710.db2.gz CPJAKSXCQMUXRJ-WIYYLYMNSA-N 2 1 344.499 3.052 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000458134052 457941849 /nfs/dbraw/zinc/94/18/49/457941849.db2.gz HRUSJVNKKMBMQI-UHFFFAOYSA-N 2 1 348.535 3.058 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)cs1 ZINC000427124035 457947676 /nfs/dbraw/zinc/94/76/76/457947676.db2.gz NDANBNDNVOZXAM-QFBILLFUSA-N 2 1 343.496 3.214 20 0 EGADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)cs1 ZINC000427124035 457947681 /nfs/dbraw/zinc/94/76/81/457947681.db2.gz NDANBNDNVOZXAM-QFBILLFUSA-N 2 1 343.496 3.214 20 0 EGADMP c1cc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)ccc1C[NH+]1CCCCC1 ZINC000411717938 457959931 /nfs/dbraw/zinc/95/99/31/457959931.db2.gz JRURIVNKUWPPTO-LEWJYISDSA-N 2 1 344.499 3.052 20 0 EGADMP c1cc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)ccc1C[NH+]1CCCCC1 ZINC000411717938 457959939 /nfs/dbraw/zinc/95/99/39/457959939.db2.gz JRURIVNKUWPPTO-LEWJYISDSA-N 2 1 344.499 3.052 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000427288941 457970223 /nfs/dbraw/zinc/97/02/23/457970223.db2.gz RUHMUWXMCKPHGP-NVXWUHKLSA-N 2 1 340.471 3.138 20 0 EGADMP CCC(C)(C)[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000358425967 457997421 /nfs/dbraw/zinc/99/74/21/457997421.db2.gz LBDQWDLRDHTFNP-UHFFFAOYSA-N 2 1 345.531 3.150 20 0 EGADMP CCC(C)(C)[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000358425967 457997427 /nfs/dbraw/zinc/99/74/27/457997427.db2.gz LBDQWDLRDHTFNP-UHFFFAOYSA-N 2 1 345.531 3.150 20 0 EGADMP CCC(C)(C)[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000358425967 457997430 /nfs/dbraw/zinc/99/74/30/457997430.db2.gz LBDQWDLRDHTFNP-UHFFFAOYSA-N 2 1 345.531 3.150 20 0 EGADMP C[N@@H+]1CCCC12CC[NH+](CCC(=O)Nc1cccc(Cl)c1)CC2 ZINC000371688505 458035616 /nfs/dbraw/zinc/03/56/16/458035616.db2.gz HPXVEPNGAQTXJZ-UHFFFAOYSA-N 2 1 335.879 3.229 20 0 EGADMP C[N@H+]1CCCC12CC[NH+](CCC(=O)Nc1cccc(Cl)c1)CC2 ZINC000371688505 458035622 /nfs/dbraw/zinc/03/56/22/458035622.db2.gz HPXVEPNGAQTXJZ-UHFFFAOYSA-N 2 1 335.879 3.229 20 0 EGADMP COc1cccc(-c2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cs2)c1 ZINC000358504179 458043668 /nfs/dbraw/zinc/04/36/68/458043668.db2.gz HNECAUPGYCDOCL-UHFFFAOYSA-N 2 1 343.496 3.394 20 0 EGADMP O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@H]2C1 ZINC000412040678 458060319 /nfs/dbraw/zinc/06/03/19/458060319.db2.gz ISWSHXCTRMOODA-PWRODBHTSA-N 2 1 328.500 3.265 20 0 EGADMP Cc1nnc([C@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)[nH]1 ZINC000412050019 458068685 /nfs/dbraw/zinc/06/86/85/458068685.db2.gz ZZQXYMYIVBKKQJ-IBGZPJMESA-N 2 1 339.487 3.089 20 0 EGADMP Cc1n[nH]c([C@H]2CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000412050019 458068688 /nfs/dbraw/zinc/06/86/88/458068688.db2.gz ZZQXYMYIVBKKQJ-IBGZPJMESA-N 2 1 339.487 3.089 20 0 EGADMP Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000412050019 458068694 /nfs/dbraw/zinc/06/86/94/458068694.db2.gz ZZQXYMYIVBKKQJ-IBGZPJMESA-N 2 1 339.487 3.089 20 0 EGADMP Cc1nc([C@H]2CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n[nH]1 ZINC000412050019 458068698 /nfs/dbraw/zinc/06/86/98/458068698.db2.gz ZZQXYMYIVBKKQJ-IBGZPJMESA-N 2 1 339.487 3.089 20 0 EGADMP Cc1nc([C@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n[nH]1 ZINC000412050019 458068703 /nfs/dbraw/zinc/06/87/03/458068703.db2.gz ZZQXYMYIVBKKQJ-IBGZPJMESA-N 2 1 339.487 3.089 20 0 EGADMP CCc1nc(C)c(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000428218540 458100194 /nfs/dbraw/zinc/10/01/94/458100194.db2.gz BVVBQZFVBDZXKW-IYBDPMFKSA-N 2 1 349.519 3.257 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000369184136 458116295 /nfs/dbraw/zinc/11/62/95/458116295.db2.gz PKJKTDZGXOHZSR-SLYNCCJLSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000369184136 458116303 /nfs/dbraw/zinc/11/63/03/458116303.db2.gz PKJKTDZGXOHZSR-SLYNCCJLSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000369184136 458116311 /nfs/dbraw/zinc/11/63/11/458116311.db2.gz PKJKTDZGXOHZSR-SLYNCCJLSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000369184136 458116317 /nfs/dbraw/zinc/11/63/17/458116317.db2.gz PKJKTDZGXOHZSR-SLYNCCJLSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000369184136 458116323 /nfs/dbraw/zinc/11/63/23/458116323.db2.gz PKJKTDZGXOHZSR-SLYNCCJLSA-N 2 1 327.516 3.113 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)cc2)cs1 ZINC000435370534 458122682 /nfs/dbraw/zinc/12/26/82/458122682.db2.gz JFKMESWJSMOTRJ-CJNGLKHVSA-N 2 1 331.485 3.200 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000435371569 458122687 /nfs/dbraw/zinc/12/26/87/458122687.db2.gz NOXIIDGECJVHMZ-CPUCHLNUSA-N 2 1 338.879 3.067 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000435371569 458122688 /nfs/dbraw/zinc/12/26/88/458122688.db2.gz NOXIIDGECJVHMZ-CPUCHLNUSA-N 2 1 338.879 3.067 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000435376908 458127114 /nfs/dbraw/zinc/12/71/14/458127114.db2.gz WBWBDAPHAQDGEO-VBQJREDUSA-N 2 1 338.879 3.067 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000435376908 458127117 /nfs/dbraw/zinc/12/71/17/458127117.db2.gz WBWBDAPHAQDGEO-VBQJREDUSA-N 2 1 338.879 3.067 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000358668897 458139823 /nfs/dbraw/zinc/13/98/23/458139823.db2.gz UBGMLTCHCFQMTK-CRAIPNDOSA-N 2 1 335.923 3.377 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC000358668897 458139827 /nfs/dbraw/zinc/13/98/27/458139827.db2.gz UBGMLTCHCFQMTK-CRAIPNDOSA-N 2 1 335.923 3.377 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000362389565 458145790 /nfs/dbraw/zinc/14/57/90/458145790.db2.gz AATWKXOKOANKBE-MRXNPFEDSA-N 2 1 335.467 3.126 20 0 EGADMP C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435447266 458149702 /nfs/dbraw/zinc/14/97/02/458149702.db2.gz OKDLGNYGAUCVTJ-IBGZPJMESA-N 2 1 325.456 3.235 20 0 EGADMP CCCCN(CC)C(=O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000362428819 458169669 /nfs/dbraw/zinc/16/96/69/458169669.db2.gz DMMKQIVFEVFVMJ-FQEVSTJZSA-N 2 1 345.531 3.089 20 0 EGADMP CCN(C(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1)[C@@H](C)c1ccc(F)cc1 ZINC000435626058 458176382 /nfs/dbraw/zinc/17/63/82/458176382.db2.gz NIPVQOWIAOPJAO-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CCN(C(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1)[C@@H](C)c1ccc(F)cc1 ZINC000435626058 458176386 /nfs/dbraw/zinc/17/63/86/458176386.db2.gz NIPVQOWIAOPJAO-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP C[NH+](C)CC1(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCCCC1 ZINC000358734032 458177882 /nfs/dbraw/zinc/17/78/82/458177882.db2.gz AUUCPIHKKFGOLX-UHFFFAOYSA-N 2 1 345.531 3.137 20 0 EGADMP COC[C@@H]1CCCC[NH+](C/C=C/C[N@@H+]2CCCC[C@H](COC)C2)C1 ZINC000372109658 458197838 /nfs/dbraw/zinc/19/78/38/458197838.db2.gz UUWMDEHGOFWGFV-SCSYBTMDSA-N 2 1 338.536 3.040 20 0 EGADMP COC[C@@H]1CCCC[N@@H+](C/C=C/C[NH+]2CCCC[C@H](COC)C2)C1 ZINC000372109658 458197844 /nfs/dbraw/zinc/19/78/44/458197844.db2.gz UUWMDEHGOFWGFV-SCSYBTMDSA-N 2 1 338.536 3.040 20 0 EGADMP COC[C@@H]1CCCC[N@H+](C/C=C/C[NH+]2CCCC[C@H](COC)C2)C1 ZINC000372109658 458197848 /nfs/dbraw/zinc/19/78/48/458197848.db2.gz UUWMDEHGOFWGFV-SCSYBTMDSA-N 2 1 338.536 3.040 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C(C)C)[C@@H](C)c2ccccc2)CC1 ZINC000428862743 458224175 /nfs/dbraw/zinc/22/41/75/458224175.db2.gz OPBFXSLOZHDITB-KRWDZBQOSA-N 2 1 331.504 3.059 20 0 EGADMP COC1(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000428872895 458226314 /nfs/dbraw/zinc/22/63/14/458226314.db2.gz SZJPKGYUAHMMNF-QUCCMNQESA-N 2 1 346.515 3.072 20 0 EGADMP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)CC[C@H]1CCCC[NH+]1C ZINC000429053321 458267220 /nfs/dbraw/zinc/26/72/20/458267220.db2.gz KJRIYHJZKGBGFP-QGZVFWFLSA-N 2 1 337.895 3.475 20 0 EGADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1)CC[C@H]1CCCC[N@@H+]1C ZINC000429053321 458267225 /nfs/dbraw/zinc/26/72/25/458267225.db2.gz KJRIYHJZKGBGFP-QGZVFWFLSA-N 2 1 337.895 3.475 20 0 EGADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1)CC[C@H]1CCCC[N@H+]1C ZINC000429053321 458267230 /nfs/dbraw/zinc/26/72/30/458267230.db2.gz KJRIYHJZKGBGFP-QGZVFWFLSA-N 2 1 337.895 3.475 20 0 EGADMP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372329405 458278863 /nfs/dbraw/zinc/27/88/63/458278863.db2.gz BVOSWYMZAZGYFF-GPMSIDNRSA-N 2 1 335.923 3.359 20 0 EGADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372329405 458278864 /nfs/dbraw/zinc/27/88/64/458278864.db2.gz BVOSWYMZAZGYFF-GPMSIDNRSA-N 2 1 335.923 3.359 20 0 EGADMP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cn1 ZINC000436272687 458281363 /nfs/dbraw/zinc/28/13/63/458281363.db2.gz UBHJTTCZZPPEKZ-UHFFFAOYSA-N 2 1 325.456 3.153 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1 ZINC000429189684 458290305 /nfs/dbraw/zinc/29/03/05/458290305.db2.gz LDSYEBBLRLPGMM-HXUWFJFHSA-N 2 1 333.520 3.412 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)CC2)c1 ZINC000429541237 458342914 /nfs/dbraw/zinc/34/29/14/458342914.db2.gz VOMGIWBKEJRFTL-IBGZPJMESA-N 2 1 346.515 3.408 20 0 EGADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459364397 458345476 /nfs/dbraw/zinc/34/54/76/458345476.db2.gz AGJVKVAGHNGNOC-UHFFFAOYSA-N 2 1 338.499 3.330 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000459393979 458356617 /nfs/dbraw/zinc/35/66/17/458356617.db2.gz WTJDSYNXJFHEHZ-CQSZACIVSA-N 2 1 332.517 3.403 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000459393979 458356621 /nfs/dbraw/zinc/35/66/21/458356621.db2.gz WTJDSYNXJFHEHZ-CQSZACIVSA-N 2 1 332.517 3.403 20 0 EGADMP C[C@@H]1C[C@H](NCc2cnc(C3CC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000459418569 458364675 /nfs/dbraw/zinc/36/46/75/458364675.db2.gz DBKIWIVURBCFCI-OXQOHEQNSA-N 2 1 336.483 3.497 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2cnc(C3CC3)nc2)CCN1Cc1ccccc1 ZINC000459418569 458364680 /nfs/dbraw/zinc/36/46/80/458364680.db2.gz DBKIWIVURBCFCI-OXQOHEQNSA-N 2 1 336.483 3.497 20 0 EGADMP c1cc(COC2CCOCC2)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459448759 458375282 /nfs/dbraw/zinc/37/52/82/458375282.db2.gz LTNGASMGFHWHAF-UHFFFAOYSA-N 2 1 344.499 3.099 20 0 EGADMP COc1ccccc1-n1nccc1CNCCC[N@H+]1CCCC[C@H]1C ZINC000430012713 458390307 /nfs/dbraw/zinc/39/03/07/458390307.db2.gz MFHNUSZJYFNAJB-QGZVFWFLSA-N 2 1 342.487 3.235 20 0 EGADMP COc1ccccc1-n1nccc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000430012713 458390309 /nfs/dbraw/zinc/39/03/09/458390309.db2.gz MFHNUSZJYFNAJB-QGZVFWFLSA-N 2 1 342.487 3.235 20 0 EGADMP COc1ccccc1-n1nccc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000430012713 458390312 /nfs/dbraw/zinc/39/03/12/458390312.db2.gz MFHNUSZJYFNAJB-QGZVFWFLSA-N 2 1 342.487 3.235 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)CC1 ZINC000430111569 458403485 /nfs/dbraw/zinc/40/34/85/458403485.db2.gz SBLWWSAVNQPGQD-RBUKOAKNSA-N 2 1 349.469 3.306 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459562511 458412013 /nfs/dbraw/zinc/41/20/13/458412013.db2.gz QFNOJJXRBWSQGQ-SFHVURJKSA-N 2 1 333.520 3.075 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000373184128 458421511 /nfs/dbraw/zinc/42/15/11/458421511.db2.gz VATURPVQMWPNJO-UHFFFAOYSA-N 2 1 332.423 3.049 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc2c(c1)CCCC2 ZINC000430235968 458426608 /nfs/dbraw/zinc/42/66/08/458426608.db2.gz GBKOXVLQRLPXEU-HKBOAZHASA-N 2 1 328.500 3.249 20 0 EGADMP C[NH+](C)C1(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000437105820 458427507 /nfs/dbraw/zinc/42/75/07/458427507.db2.gz FGDNAVVRQAFSPP-PWRODBHTSA-N 2 1 341.543 3.361 20 0 EGADMP CN(C)C1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000437105820 458427510 /nfs/dbraw/zinc/42/75/10/458427510.db2.gz FGDNAVVRQAFSPP-PWRODBHTSA-N 2 1 341.543 3.361 20 0 EGADMP CN(C)C1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000437105820 458427515 /nfs/dbraw/zinc/42/75/15/458427515.db2.gz FGDNAVVRQAFSPP-PWRODBHTSA-N 2 1 341.543 3.361 20 0 EGADMP COC(=O)[C@@H](NCCCCn1cc[nH+]c1C)c1ccc(C)c(C)c1 ZINC000459617304 458428972 /nfs/dbraw/zinc/42/89/72/458428972.db2.gz DJVVGWWZDJTIKT-SFHVURJKSA-N 2 1 329.444 3.092 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)[C@H](C)C1 ZINC000423435926 458432343 /nfs/dbraw/zinc/43/23/43/458432343.db2.gz DYCZMMMFWQUPBD-XLIONFOSSA-N 2 1 345.531 3.271 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cncc(F)c1 ZINC000423478130 458439440 /nfs/dbraw/zinc/43/94/40/458439440.db2.gz TVJGJEFWRAOBJO-IYJAJMOOSA-N 2 1 331.410 3.404 20 0 EGADMP c1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)CCC3)cc1 ZINC000423501805 458444592 /nfs/dbraw/zinc/44/45/92/458444592.db2.gz DUGZBCFMTYEXIG-JKSUJKDBSA-N 2 1 343.496 3.156 20 0 EGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000373296500 458455636 /nfs/dbraw/zinc/45/56/36/458455636.db2.gz MWCVMDSLIZJVTH-OAHLLOKOSA-N 2 1 336.549 3.212 20 0 EGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000373296500 458455641 /nfs/dbraw/zinc/45/56/41/458455641.db2.gz MWCVMDSLIZJVTH-OAHLLOKOSA-N 2 1 336.549 3.212 20 0 EGADMP CN(C[C@@H](O)C[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1)C1CC1 ZINC000459758524 458470301 /nfs/dbraw/zinc/47/03/01/458470301.db2.gz VLGNGDHLRPXOQZ-WOJBJXKFSA-N 2 1 328.500 3.449 20 0 EGADMP CN(C[C@@H](O)C[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1)C1CC1 ZINC000459758524 458470305 /nfs/dbraw/zinc/47/03/05/458470305.db2.gz VLGNGDHLRPXOQZ-WOJBJXKFSA-N 2 1 328.500 3.449 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1)c1cccc2ccccc21 ZINC000430617772 458472129 /nfs/dbraw/zinc/47/21/29/458472129.db2.gz OWAOEYXPPPBFNY-ULQDDVLXSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1)c1cccc2ccccc21 ZINC000430617772 458472135 /nfs/dbraw/zinc/47/21/35/458472135.db2.gz OWAOEYXPPPBFNY-ULQDDVLXSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000423735868 458477934 /nfs/dbraw/zinc/47/79/34/458477934.db2.gz XPTGARWVUPHGSB-LFDJNIOPSA-N 2 1 335.536 3.148 20 0 EGADMP Cc1cccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000430912445 458503771 /nfs/dbraw/zinc/50/37/71/458503771.db2.gz LKPNLYCFHFGQKK-UHFFFAOYSA-N 2 1 344.547 3.018 20 0 EGADMP CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423912529 458512209 /nfs/dbraw/zinc/51/22/09/458512209.db2.gz WDWCUNUXCLQBGS-SLFFLAALSA-N 2 1 343.515 3.017 20 0 EGADMP COc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000377763305 458516260 /nfs/dbraw/zinc/51/62/60/458516260.db2.gz OZJKEQKSAPBVAF-RBUKOAKNSA-N 2 1 337.467 3.044 20 0 EGADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000423937604 458516856 /nfs/dbraw/zinc/51/68/56/458516856.db2.gz HHFDWYYXBAGCDB-UXHICEINSA-N 2 1 339.483 3.058 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000438190320 458547037 /nfs/dbraw/zinc/54/70/37/458547037.db2.gz OGEXXUXSZSAPQH-QGZVFWFLSA-N 2 1 328.456 3.428 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424149261 458571438 /nfs/dbraw/zinc/57/14/38/458571438.db2.gz WCOUWJNSVLUUBX-WOJBJXKFSA-N 2 1 349.563 3.255 20 0 EGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000470009490 458608544 /nfs/dbraw/zinc/60/85/44/458608544.db2.gz RVCZOHYAQNNIDD-QGZVFWFLSA-N 2 1 328.431 3.446 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000470009490 458608548 /nfs/dbraw/zinc/60/85/48/458608548.db2.gz RVCZOHYAQNNIDD-QGZVFWFLSA-N 2 1 328.431 3.446 20 0 EGADMP CC(C)C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000424318355 458615229 /nfs/dbraw/zinc/61/52/29/458615229.db2.gz FUOHODDXFUQMCO-QBPKDAKJSA-N 2 1 326.525 3.309 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(F)c2C)C[C@H]1C ZINC000438819853 458616398 /nfs/dbraw/zinc/61/63/98/458616398.db2.gz NEQYSWULOPOLSJ-GDBMZVCRSA-N 2 1 335.467 3.267 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc(F)c2C)C[C@H]1C ZINC000438819853 458616399 /nfs/dbraw/zinc/61/63/99/458616399.db2.gz NEQYSWULOPOLSJ-GDBMZVCRSA-N 2 1 335.467 3.267 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(F)c2C)C[C@H]1C ZINC000438819853 458616406 /nfs/dbraw/zinc/61/64/06/458616406.db2.gz NEQYSWULOPOLSJ-GDBMZVCRSA-N 2 1 335.467 3.267 20 0 EGADMP COC(=O)CC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000424346723 458622077 /nfs/dbraw/zinc/62/20/77/458622077.db2.gz JVIACFYPKLAFAT-ACBHZAAOSA-N 2 1 344.499 3.218 20 0 EGADMP COC(=O)CC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000424346723 458622083 /nfs/dbraw/zinc/62/20/83/458622083.db2.gz JVIACFYPKLAFAT-ACBHZAAOSA-N 2 1 344.499 3.218 20 0 EGADMP COc1ccc(C[C@H](C)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1F ZINC000424388057 458630942 /nfs/dbraw/zinc/63/09/42/458630942.db2.gz ZBUQSIJKZHMIGS-JKSUJKDBSA-N 2 1 334.479 3.477 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000494140706 458631106 /nfs/dbraw/zinc/63/11/06/458631106.db2.gz FCXBFCGFXROHIL-INIZCTEOSA-N 2 1 338.496 3.063 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000494140706 458631112 /nfs/dbraw/zinc/63/11/12/458631112.db2.gz FCXBFCGFXROHIL-INIZCTEOSA-N 2 1 338.496 3.063 20 0 EGADMP C[C@H]1C[C@H](Nc2cc[nH+]c3ccc(Br)cc23)CC[N@@H+]1C ZINC000462875065 458662591 /nfs/dbraw/zinc/66/25/91/458662591.db2.gz GCSYLTABHVPJOX-WCQYABFASA-N 2 1 334.261 3.314 20 0 EGADMP CC(C)c1cc(N2CCC[N@@H+](C3CCCC3)CC2)nc(N(C)C)[nH+]1 ZINC000462871934 458662877 /nfs/dbraw/zinc/66/28/77/458662877.db2.gz JLKJXOBTTKIOSL-UHFFFAOYSA-N 2 1 331.508 3.121 20 0 EGADMP CC(C)c1cc(N2CCC[N@H+](C3CCCC3)CC2)nc(N(C)C)[nH+]1 ZINC000462871934 458662882 /nfs/dbraw/zinc/66/28/82/458662882.db2.gz JLKJXOBTTKIOSL-UHFFFAOYSA-N 2 1 331.508 3.121 20 0 EGADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470977477 458671888 /nfs/dbraw/zinc/67/18/88/458671888.db2.gz XMXTXWLJOAZZEP-ZBFHGGJFSA-N 2 1 349.906 3.331 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000494436761 458676662 /nfs/dbraw/zinc/67/66/62/458676662.db2.gz MAZZEXWABWEHGU-PBHICJAKSA-N 2 1 329.419 3.443 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000494436761 458676666 /nfs/dbraw/zinc/67/66/66/458676666.db2.gz MAZZEXWABWEHGU-PBHICJAKSA-N 2 1 329.419 3.443 20 0 EGADMP CC[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000546810626 458677035 /nfs/dbraw/zinc/67/70/35/458677035.db2.gz SXJPDIPWQSRTSB-RTWAWAEBSA-N 2 1 329.532 3.457 20 0 EGADMP CC[C@@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000546810626 458677041 /nfs/dbraw/zinc/67/70/41/458677041.db2.gz SXJPDIPWQSRTSB-RTWAWAEBSA-N 2 1 329.532 3.457 20 0 EGADMP CC[C@@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000546810626 458677045 /nfs/dbraw/zinc/67/70/45/458677045.db2.gz SXJPDIPWQSRTSB-RTWAWAEBSA-N 2 1 329.532 3.457 20 0 EGADMP OCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000471576642 458699884 /nfs/dbraw/zinc/69/98/84/458699884.db2.gz DIUGTQPXNFOFKO-PWRODBHTSA-N 2 1 342.527 3.429 20 0 EGADMP CC[C@H]1C[NH+](CCCCC[N@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439476688 458711572 /nfs/dbraw/zinc/71/15/72/458711572.db2.gz ZRLDDZOQURWXTO-OALUTQOASA-N 2 1 326.525 3.159 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)c1cccs1 ZINC000547430288 458738969 /nfs/dbraw/zinc/73/89/69/458738969.db2.gz TZRPBIDLBOSGHA-INIZCTEOSA-N 2 1 337.533 3.122 20 0 EGADMP CN(CC[N@@H+](C)C/C=C\c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000530335621 458750594 /nfs/dbraw/zinc/75/05/94/458750594.db2.gz UUDRPKPPWYEDDX-PLNGDYQASA-N 2 1 335.923 3.311 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547505552 458752273 /nfs/dbraw/zinc/75/22/73/458752273.db2.gz VZWJBEYCKBGRFG-WMQCIHAUSA-N 2 1 330.516 3.428 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[NH+]2C)c1 ZINC000471962577 458756417 /nfs/dbraw/zinc/75/64/17/458756417.db2.gz DZKMBMHROCNJJF-IBGZPJMESA-N 2 1 331.504 3.019 20 0 EGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000471962577 458756423 /nfs/dbraw/zinc/75/64/23/458756423.db2.gz DZKMBMHROCNJJF-IBGZPJMESA-N 2 1 331.504 3.019 20 0 EGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000471962577 458756429 /nfs/dbraw/zinc/75/64/29/458756429.db2.gz DZKMBMHROCNJJF-IBGZPJMESA-N 2 1 331.504 3.019 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](C/C=C/c2ccncc2)CC1 ZINC000494927514 458766196 /nfs/dbraw/zinc/76/61/96/458766196.db2.gz AACYVJPDIHQWSY-GQCTYLIASA-N 2 1 331.504 3.165 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000530460525 458773432 /nfs/dbraw/zinc/77/34/32/458773432.db2.gz ZREIARKEZMNXJJ-CQSZACIVSA-N 2 1 338.224 3.141 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440122851 458783686 /nfs/dbraw/zinc/78/36/86/458783686.db2.gz YKZMBPZLZPVKOI-PIKOESSRSA-N 2 1 347.547 3.257 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000440122851 458783691 /nfs/dbraw/zinc/78/36/91/458783691.db2.gz YKZMBPZLZPVKOI-PIKOESSRSA-N 2 1 347.547 3.257 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000440122851 458783697 /nfs/dbraw/zinc/78/36/97/458783697.db2.gz YKZMBPZLZPVKOI-PIKOESSRSA-N 2 1 347.547 3.257 20 0 EGADMP C[N@H+]1CC[C@@]2(C[C@@H]1c1ccccc1)NC(=[NH2+])Nc1nc3ccccc3n12 ZINC000514823994 458801223 /nfs/dbraw/zinc/80/12/23/458801223.db2.gz ITNOIBLPFXIHDU-YLJYHZDGSA-N 2 1 346.438 3.106 20 0 EGADMP COc1cccc2c(NCCC[N@@H+]3CCCO[C@H](C)C3)cc(C)[nH+]c12 ZINC000432870519 458804283 /nfs/dbraw/zinc/80/42/83/458804283.db2.gz GAXNLPKCQWYVCS-MRXNPFEDSA-N 2 1 343.471 3.465 20 0 EGADMP COc1cccc2c(NCCC[N@H+]3CCCO[C@H](C)C3)cc(C)[nH+]c12 ZINC000432870519 458804286 /nfs/dbraw/zinc/80/42/86/458804286.db2.gz GAXNLPKCQWYVCS-MRXNPFEDSA-N 2 1 343.471 3.465 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[NH+](C2CCCCC2)CC1)C1CCCCC1 ZINC000548064172 458831691 /nfs/dbraw/zinc/83/16/91/458831691.db2.gz NVZIROWLNZFAGR-UHFFFAOYSA-N 2 1 335.536 3.118 20 0 EGADMP CC[NH+]1CCC([N@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495338837 458837685 /nfs/dbraw/zinc/83/76/85/458837685.db2.gz XUTJJDSFSOEOPC-LJQANCHMSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495338837 458837691 /nfs/dbraw/zinc/83/76/91/458837691.db2.gz XUTJJDSFSOEOPC-LJQANCHMSA-N 2 1 339.524 3.050 20 0 EGADMP Cc1cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)ccc1F ZINC000518249431 458852728 /nfs/dbraw/zinc/85/27/28/458852728.db2.gz IJLRWMBJQYDQOH-GOSISDBHSA-N 2 1 347.503 3.274 20 0 EGADMP COC(=O)CC1(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000440784172 458853159 /nfs/dbraw/zinc/85/31/59/458853159.db2.gz MHQSCLZCANBMRN-PKOBYXMFSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)CC1(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000440784172 458853163 /nfs/dbraw/zinc/85/31/63/458853163.db2.gz MHQSCLZCANBMRN-PKOBYXMFSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)CC1(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000440784172 458853167 /nfs/dbraw/zinc/85/31/67/458853167.db2.gz MHQSCLZCANBMRN-PKOBYXMFSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)CC1(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000440784172 458853168 /nfs/dbraw/zinc/85/31/68/458853168.db2.gz MHQSCLZCANBMRN-PKOBYXMFSA-N 2 1 344.499 3.315 20 0 EGADMP CCc1cccc(Cl)c1C[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000474352874 458880002 /nfs/dbraw/zinc/88/00/02/458880002.db2.gz IQJIOGRFYVCPBR-UHFFFAOYSA-N 2 1 337.939 3.410 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@H](C)c3ccc(F)cc3)CC2)CC1 ZINC000441052896 458882052 /nfs/dbraw/zinc/88/20/52/458882052.db2.gz UYHRNTCYGVTZPB-QGZVFWFLSA-N 2 1 333.495 3.377 20 0 EGADMP CCCc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000518655572 458883398 /nfs/dbraw/zinc/88/33/98/458883398.db2.gz SPVAMKRAWKWJRY-UHFFFAOYSA-N 2 1 338.455 3.038 20 0 EGADMP CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000441174251 458896191 /nfs/dbraw/zinc/89/61/91/458896191.db2.gz WECXXLKTJVKJHK-IBGZPJMESA-N 2 1 344.499 3.416 20 0 EGADMP CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000441174251 458896193 /nfs/dbraw/zinc/89/61/93/458896193.db2.gz WECXXLKTJVKJHK-IBGZPJMESA-N 2 1 344.499 3.416 20 0 EGADMP CC(C)OC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000441174251 458896196 /nfs/dbraw/zinc/89/61/96/458896196.db2.gz WECXXLKTJVKJHK-IBGZPJMESA-N 2 1 344.499 3.416 20 0 EGADMP CC(C)OC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000441174251 458896199 /nfs/dbraw/zinc/89/61/99/458896199.db2.gz WECXXLKTJVKJHK-IBGZPJMESA-N 2 1 344.499 3.416 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000474882047 458904549 /nfs/dbraw/zinc/90/45/49/458904549.db2.gz XUGAZSUCALAYJO-IEBWSBKVSA-N 2 1 346.515 3.466 20 0 EGADMP C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000495734452 458934870 /nfs/dbraw/zinc/93/48/70/458934870.db2.gz NKYRYTLSFRLQIC-NXHRZFHOSA-N 2 1 347.503 3.325 20 0 EGADMP C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000495734452 458934875 /nfs/dbraw/zinc/93/48/75/458934875.db2.gz NKYRYTLSFRLQIC-NXHRZFHOSA-N 2 1 347.503 3.325 20 0 EGADMP CC(C)N(C(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CCCC1 ZINC000441398517 458935560 /nfs/dbraw/zinc/93/55/60/458935560.db2.gz YJZRBTGAVATDFE-PXNSSMCTSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)c1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)nc(N(C)C)[nH+]1 ZINC000467011095 458943061 /nfs/dbraw/zinc/94/30/61/458943061.db2.gz RPQXTUJYICMBIC-CVEARBPZSA-N 2 1 331.508 3.118 20 0 EGADMP CC(C)c1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)nc(N(C)C)[nH+]1 ZINC000467011095 458943068 /nfs/dbraw/zinc/94/30/68/458943068.db2.gz RPQXTUJYICMBIC-CVEARBPZSA-N 2 1 331.508 3.118 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000519387593 458943256 /nfs/dbraw/zinc/94/32/56/458943256.db2.gz MQQBYLDIQZOARC-UWJYYQICSA-N 2 1 326.484 3.065 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000556665209 458984466 /nfs/dbraw/zinc/98/44/66/458984466.db2.gz BQKONQLRNVIALG-KXBFYZLASA-N 2 1 344.503 3.087 20 0 EGADMP C[NH+]1CCN([C@@H](C[NH2+]C2CCC3(CC3)CC2)c2cccs2)CC1 ZINC000577325584 459016338 /nfs/dbraw/zinc/01/63/38/459016338.db2.gz BZOFMHRDBDRIKQ-KRWDZBQOSA-N 2 1 333.545 3.349 20 0 EGADMP Cc1cc(N2CCC([N@@H+](C)CCO)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000477067243 459028816 /nfs/dbraw/zinc/02/88/16/459028816.db2.gz HFVNHEBGRDONEZ-UHFFFAOYSA-N 2 1 347.890 3.398 20 0 EGADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000566985352 459031692 /nfs/dbraw/zinc/03/16/92/459031692.db2.gz GMDNOGNJKVRRLR-UFYCRDLUSA-N 2 1 329.532 3.319 20 0 EGADMP CC(C)(C)[C@H](CN1CCc2ccccc2C1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000566985352 459031696 /nfs/dbraw/zinc/03/16/96/459031696.db2.gz GMDNOGNJKVRRLR-UFYCRDLUSA-N 2 1 329.532 3.319 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccc2ccccc2c1 ZINC000442794409 459036532 /nfs/dbraw/zinc/03/65/32/459036532.db2.gz TVGOVCAGRZIKIT-LTIDMASMSA-N 2 1 339.483 3.075 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccc2ccccc2c1 ZINC000442794409 459036542 /nfs/dbraw/zinc/03/65/42/459036542.db2.gz TVGOVCAGRZIKIT-LTIDMASMSA-N 2 1 339.483 3.075 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3C[C@@H](C)C[C@H](C)C3)CC2)CC1 ZINC000567121465 459051147 /nfs/dbraw/zinc/05/11/47/459051147.db2.gz HKISCJCFABHUNZ-IRXDYDNUSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@]1(C)C[N@@H+](CCCCC[NH+]2CCO[C@@](C)(CC)C2)CCO1 ZINC000442886113 459052446 /nfs/dbraw/zinc/05/24/46/459052446.db2.gz PZQZUPPHUFFCIP-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP CC[C@]1(C)C[NH+](CCCCC[N@@H+]2CCO[C@@](C)(CC)C2)CCO1 ZINC000442886113 459052452 /nfs/dbraw/zinc/05/24/52/459052452.db2.gz PZQZUPPHUFFCIP-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP CC[C@]1(C)C[NH+](CCCCC[N@H+]2CCO[C@@](C)(CC)C2)CCO1 ZINC000442886113 459052457 /nfs/dbraw/zinc/05/24/57/459052457.db2.gz PZQZUPPHUFFCIP-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC1(C)C ZINC000442889308 459055494 /nfs/dbraw/zinc/05/54/94/459055494.db2.gz JYAIZGXYFSICND-WOJBJXKFSA-N 2 1 329.532 3.013 20 0 EGADMP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1CCCC1 ZINC000577684612 459073006 /nfs/dbraw/zinc/07/30/06/459073006.db2.gz MOJJTRGPTCJIQC-NCYKPQTJSA-N 2 1 328.500 3.038 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CCc4ccccc4OC3)C2)cc1 ZINC000479464037 459142215 /nfs/dbraw/zinc/14/22/15/459142215.db2.gz KPPVFSAFSYPTAC-CTNGQTDRSA-N 2 1 336.479 3.492 20 0 EGADMP CC(C)C[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000521380191 459145090 /nfs/dbraw/zinc/14/50/90/459145090.db2.gz OCOAXPORZDICHE-PKOBYXMFSA-N 2 1 333.520 3.208 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000496305821 459145226 /nfs/dbraw/zinc/14/52/26/459145226.db2.gz KETUHBBWZSZECZ-BRWVUGGUSA-N 2 1 339.524 3.001 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]3CN(CCC[NH+]4CCCCC4)C[C@@H]3C2)cc1 ZINC000558477731 459163981 /nfs/dbraw/zinc/16/39/81/459163981.db2.gz HUZRNRBRYXDCIL-FCHUYYIVSA-N 2 1 341.543 3.316 20 0 EGADMP CC[C@H](CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)[N@H+]1CCc2ccccc2C1 ZINC000480378840 459195798 /nfs/dbraw/zinc/19/57/98/459195798.db2.gz OQPCTWDAWKCCEN-QFBILLFUSA-N 2 1 345.531 3.106 20 0 EGADMP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000521995439 459201676 /nfs/dbraw/zinc/20/16/76/459201676.db2.gz LTPUNNFLURHTBT-YOKBYHGQSA-N 2 1 344.421 3.447 20 0 EGADMP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000521995439 459201683 /nfs/dbraw/zinc/20/16/83/459201683.db2.gz LTPUNNFLURHTBT-YOKBYHGQSA-N 2 1 344.421 3.447 20 0 EGADMP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)N1CCCC1 ZINC000480539572 459203767 /nfs/dbraw/zinc/20/37/67/459203767.db2.gz VRXKTIBTAPIQKL-WIYYLYMNSA-N 2 1 347.547 3.398 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC(C)(C)C3CC3)CC2)CC1 ZINC000578452663 459204018 /nfs/dbraw/zinc/20/40/18/459204018.db2.gz REDDQLDXHDDSML-UHFFFAOYSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000480618993 459208937 /nfs/dbraw/zinc/20/89/37/459208937.db2.gz YRHBVHQWGLPGAJ-QYZOEREBSA-N 2 1 347.547 3.398 20 0 EGADMP C[C@@H](CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000480618993 459208943 /nfs/dbraw/zinc/20/89/43/459208943.db2.gz YRHBVHQWGLPGAJ-QYZOEREBSA-N 2 1 347.547 3.398 20 0 EGADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000480658191 459211584 /nfs/dbraw/zinc/21/15/84/459211584.db2.gz AEDNGKURGNCJRN-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP COCC[N@H+](C)CCC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000480769286 459218416 /nfs/dbraw/zinc/21/84/16/459218416.db2.gz ZJZRCUKMAUVUFQ-HXUWFJFHSA-N 2 1 330.447 3.473 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000480769286 459218422 /nfs/dbraw/zinc/21/84/22/459218422.db2.gz ZJZRCUKMAUVUFQ-HXUWFJFHSA-N 2 1 330.447 3.473 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000590818968 459231896 /nfs/dbraw/zinc/23/18/96/459231896.db2.gz NKVFSRMTHYVONT-KRWDZBQOSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000590818982 459232031 /nfs/dbraw/zinc/23/20/31/459232031.db2.gz OVLYUZNSDFDYHK-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000590818863 459232525 /nfs/dbraw/zinc/23/25/25/459232525.db2.gz CDUCAKPRBNCGEA-UHFFFAOYSA-N 2 1 326.488 3.425 20 0 EGADMP CCCCN(CC)C(=O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481172965 459236473 /nfs/dbraw/zinc/23/64/73/459236473.db2.gz GPBJKMCJJOQJBU-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CCCCN(CC)C(=O)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000481172965 459236478 /nfs/dbraw/zinc/23/64/78/459236478.db2.gz GPBJKMCJJOQJBU-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CCCCN(CC)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481172965 459236481 /nfs/dbraw/zinc/23/64/81/459236481.db2.gz GPBJKMCJJOQJBU-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CCCCN(CC)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481172965 459236485 /nfs/dbraw/zinc/23/64/85/459236485.db2.gz GPBJKMCJJOQJBU-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP C[C@@H](N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481179821 459237389 /nfs/dbraw/zinc/23/73/89/459237389.db2.gz JPZSYNYVMWCKJB-CEXWTWQISA-N 2 1 347.547 3.398 20 0 EGADMP C[C@@H](N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481179821 459237397 /nfs/dbraw/zinc/23/73/97/459237397.db2.gz JPZSYNYVMWCKJB-CEXWTWQISA-N 2 1 347.547 3.398 20 0 EGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000481179824 459237876 /nfs/dbraw/zinc/23/78/76/459237876.db2.gz JPZSYNYVMWCKJB-QYZOEREBSA-N 2 1 347.547 3.398 20 0 EGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000481179824 459237880 /nfs/dbraw/zinc/23/78/80/459237880.db2.gz JPZSYNYVMWCKJB-QYZOEREBSA-N 2 1 347.547 3.398 20 0 EGADMP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC(=O)OC(C)(C)C ZINC000595094697 459243144 /nfs/dbraw/zinc/24/31/44/459243144.db2.gz HHWJTQNKWJYDSU-YESZJQIVSA-N 2 1 326.525 3.453 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496639573 459268599 /nfs/dbraw/zinc/26/85/99/459268599.db2.gz KDOSCYGPZOISKC-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000481709847 459269829 /nfs/dbraw/zinc/26/98/29/459269829.db2.gz ASHQYPAVRHKXLZ-XJKSGUPXSA-N 2 1 325.294 3.496 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000482166308 459294584 /nfs/dbraw/zinc/29/45/84/459294584.db2.gz TUWBPPNXYAKNER-CRAIPNDOSA-N 2 1 335.467 3.254 20 0 EGADMP Cc1ccc(C[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C(C)C)cc1 ZINC000482366942 459304952 /nfs/dbraw/zinc/30/49/52/459304952.db2.gz MREZVXQCASSETD-QFIPXVFZSA-N 2 1 345.575 3.425 20 0 EGADMP CCC(CC)[N@@H+](CCOC)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000560159317 459306156 /nfs/dbraw/zinc/30/61/56/459306156.db2.gz HJSZOQHFRBHGDV-OAQYLSRUSA-N 2 1 348.531 3.415 20 0 EGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496755047 459311337 /nfs/dbraw/zinc/31/13/37/459311337.db2.gz QJJXPVHOTABGEM-LTIDMASMSA-N 2 1 339.524 3.237 20 0 EGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496755047 459311342 /nfs/dbraw/zinc/31/13/42/459311342.db2.gz QJJXPVHOTABGEM-LTIDMASMSA-N 2 1 339.524 3.237 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496755055 459311952 /nfs/dbraw/zinc/31/19/52/459311952.db2.gz QJJXPVHOTABGEM-WCXIOVBPSA-N 2 1 339.524 3.237 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496755055 459311957 /nfs/dbraw/zinc/31/19/57/459311957.db2.gz QJJXPVHOTABGEM-WCXIOVBPSA-N 2 1 339.524 3.237 20 0 EGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)CCCC[NH+](C)C)CC2)cc1 ZINC000591093821 459312695 /nfs/dbraw/zinc/31/26/95/459312695.db2.gz RHQFMTMXOLPMGX-UHFFFAOYSA-N 2 1 345.531 3.186 20 0 EGADMP CC(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000595504438 459327874 /nfs/dbraw/zinc/32/78/74/459327874.db2.gz JGRKFGMLNPKEJG-FQEVSTJZSA-N 2 1 330.472 3.170 20 0 EGADMP CC(C)OC(=O)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000595504438 459327875 /nfs/dbraw/zinc/32/78/75/459327875.db2.gz JGRKFGMLNPKEJG-FQEVSTJZSA-N 2 1 330.472 3.170 20 0 EGADMP CC(C)OC(=O)c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000595504438 459327877 /nfs/dbraw/zinc/32/78/77/459327877.db2.gz JGRKFGMLNPKEJG-FQEVSTJZSA-N 2 1 330.472 3.170 20 0 EGADMP CC(C)OC(=O)c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000595504438 459327880 /nfs/dbraw/zinc/32/78/80/459327880.db2.gz JGRKFGMLNPKEJG-FQEVSTJZSA-N 2 1 330.472 3.170 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000568764255 459341716 /nfs/dbraw/zinc/34/17/16/459341716.db2.gz OPTHYRSRBNPLFH-GUYCJALGSA-N 2 1 333.501 3.082 20 0 EGADMP CCN(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000568764255 459341720 /nfs/dbraw/zinc/34/17/20/459341720.db2.gz OPTHYRSRBNPLFH-GUYCJALGSA-N 2 1 333.501 3.082 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000568764279 459341739 /nfs/dbraw/zinc/34/17/39/459341739.db2.gz OVNSJAITEZZOQL-LPHOPBHVSA-N 2 1 342.483 3.325 20 0 EGADMP CCN(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000568764279 459341745 /nfs/dbraw/zinc/34/17/45/459341745.db2.gz OVNSJAITEZZOQL-LPHOPBHVSA-N 2 1 342.483 3.325 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000483157430 459345591 /nfs/dbraw/zinc/34/55/91/459345591.db2.gz RUGTZASFBFMPOT-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483157430 459345598 /nfs/dbraw/zinc/34/55/98/459345598.db2.gz RUGTZASFBFMPOT-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483157430 459345607 /nfs/dbraw/zinc/34/56/07/459345607.db2.gz RUGTZASFBFMPOT-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000483157432 459346479 /nfs/dbraw/zinc/34/64/79/459346479.db2.gz RUGTZASFBFMPOT-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483157432 459346483 /nfs/dbraw/zinc/34/64/83/459346483.db2.gz RUGTZASFBFMPOT-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483157432 459346484 /nfs/dbraw/zinc/34/64/84/459346484.db2.gz RUGTZASFBFMPOT-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000524156195 459349546 /nfs/dbraw/zinc/34/95/46/459349546.db2.gz SZBQEBXGHYXJQG-ZHALLVOQSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C1CCCCC1 ZINC000484142774 459407362 /nfs/dbraw/zinc/40/73/62/459407362.db2.gz SWBJNRVMIOEGRQ-IOMROCGXSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C1CCCCC1 ZINC000484142774 459407367 /nfs/dbraw/zinc/40/73/67/459407367.db2.gz SWBJNRVMIOEGRQ-IOMROCGXSA-N 2 1 330.516 3.428 20 0 EGADMP C[NH+](CC1(C[N@H+](C)C(C2CC2)C2CC2)COC1)C(C1CC1)C1CC1 ZINC000542003326 459519389 /nfs/dbraw/zinc/51/93/89/459519389.db2.gz UIYMOAQSGRQGLD-UHFFFAOYSA-N 2 1 332.532 3.244 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000569985933 459542375 /nfs/dbraw/zinc/54/23/75/459542375.db2.gz LHOLGZDKZPZGEO-FXAWDEMLSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000569985939 459542992 /nfs/dbraw/zinc/54/29/92/459542992.db2.gz LHOLGZDKZPZGEO-YLJYHZDGSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[C@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000572886977 459590785 /nfs/dbraw/zinc/59/07/85/459590785.db2.gz HBOLCZLXVQLVMY-NRFANRHFSA-N 2 1 331.548 3.384 20 0 EGADMP COC(=O)C(C)(C)CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000527219110 459609899 /nfs/dbraw/zinc/60/98/99/459609899.db2.gz CJKVYLZVZLUIJV-GOSISDBHSA-N 2 1 332.488 3.030 20 0 EGADMP CC[C@@H]1C[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000592489070 459612232 /nfs/dbraw/zinc/61/22/32/459612232.db2.gz PMIIUCZZCZUILS-DOMZBBRYSA-N 2 1 332.366 3.023 20 0 EGADMP C[N@@H+](CCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CCCCC1 ZINC000573434507 459675914 /nfs/dbraw/zinc/67/59/14/459675914.db2.gz BTAVSKLVDUTKAG-SFHVURJKSA-N 2 1 347.503 3.187 20 0 EGADMP Cc1cccc(C(NC[C@H](O)C[N@H+](C)C2CC2)c2cccc(C)c2)c1 ZINC000562992105 459688297 /nfs/dbraw/zinc/68/82/97/459688297.db2.gz SCYQNBHYTJQVQE-NRFANRHFSA-N 2 1 338.495 3.438 20 0 EGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527666634 459690964 /nfs/dbraw/zinc/69/09/64/459690964.db2.gz UIIHKJJXIGHSPI-RTWAWAEBSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527666634 459690968 /nfs/dbraw/zinc/69/09/68/459690968.db2.gz UIIHKJJXIGHSPI-RTWAWAEBSA-N 2 1 349.478 3.141 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000527692272 459702884 /nfs/dbraw/zinc/70/28/84/459702884.db2.gz RLQVFMMJPSTKEV-FQEVSTJZSA-N 2 1 335.451 3.024 20 0 EGADMP CSc1ccc2c(c1)[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC000573683656 459717325 /nfs/dbraw/zinc/71/73/25/459717325.db2.gz BFZDMBOHVQIGKR-LJQANCHMSA-N 2 1 347.572 3.402 20 0 EGADMP CC1CCC(O)(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000573794380 459736389 /nfs/dbraw/zinc/73/63/89/459736389.db2.gz JEXALWMBZKKILZ-VEDCXYSMSA-N 2 1 330.516 3.082 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCCCC[NH2+]3)cc2)C1 ZINC000573805818 459738486 /nfs/dbraw/zinc/73/84/86/459738486.db2.gz QDNPDRSKAQYPNZ-FXAWDEMLSA-N 2 1 343.515 3.067 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527857489 459759346 /nfs/dbraw/zinc/75/93/46/459759346.db2.gz CBDBWSHDNBAIHO-SFHVURJKSA-N 2 1 339.886 3.084 20 0 EGADMP CC(C)(C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1)C(N)=O ZINC000574069982 459775873 /nfs/dbraw/zinc/77/58/73/459775873.db2.gz QPLGITQHKIITJW-UHOSZYNNSA-N 2 1 343.515 3.093 20 0 EGADMP CC(C)(C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1)C(N)=O ZINC000574069982 459775875 /nfs/dbraw/zinc/77/58/75/459775875.db2.gz QPLGITQHKIITJW-UHOSZYNNSA-N 2 1 343.515 3.093 20 0 EGADMP C[NH+](C)CCCC1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000544701911 459778951 /nfs/dbraw/zinc/77/89/51/459778951.db2.gz VBPCFFYVZMSTOA-UHFFFAOYSA-N 2 1 331.508 3.025 20 0 EGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000566222339 459825648 /nfs/dbraw/zinc/82/56/48/459825648.db2.gz VEHXJNNGJROZOV-NXHRZFHOSA-N 2 1 335.536 3.019 20 0 EGADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1F ZINC000597061705 459829397 /nfs/dbraw/zinc/82/93/97/459829397.db2.gz XOWPQGMBNXGASY-UHFFFAOYSA-N 2 1 334.435 3.109 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000575052692 459916543 /nfs/dbraw/zinc/91/65/43/459916543.db2.gz GVSPAPKAVCXYQV-OAQYLSRUSA-N 2 1 326.484 3.220 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(COC)CCCCC2)[C@@H](C)C1 ZINC000575624329 459989523 /nfs/dbraw/zinc/98/95/23/459989523.db2.gz AJXNAURQEXJLBT-OALUTQOASA-N 2 1 340.552 3.310 20 0 EGADMP CCCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H](C)c1ccc(C)o1 ZINC000621739100 460043242 /nfs/dbraw/zinc/04/32/42/460043242.db2.gz IIPZHTRHPIFEQR-KRWDZBQOSA-N 2 1 349.519 3.352 20 0 EGADMP CCCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H](C)c1ccc(C)o1 ZINC000621739100 460043247 /nfs/dbraw/zinc/04/32/47/460043247.db2.gz IIPZHTRHPIFEQR-KRWDZBQOSA-N 2 1 349.519 3.352 20 0 EGADMP CCCC[NH+]1CCC([NH2+][C@H]2CCN(C(C)=O)c3ccccc32)CC1 ZINC000621751757 460049878 /nfs/dbraw/zinc/04/98/78/460049878.db2.gz MZSRYQORMVLKPT-IBGZPJMESA-N 2 1 329.488 3.338 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000576457689 460145745 /nfs/dbraw/zinc/14/57/45/460145745.db2.gz PQCKEXNJKPHBIY-OAHLLOKOSA-N 2 1 337.895 3.236 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000599320398 460227495 /nfs/dbraw/zinc/22/74/95/460227495.db2.gz SESBJIVDHSJSSO-HXUWFJFHSA-N 2 1 343.515 3.163 20 0 EGADMP COC(=O)CCCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000599363324 460239785 /nfs/dbraw/zinc/23/97/85/460239785.db2.gz PFKIHCXBASCWCO-YRWFTTLQSA-N 2 1 332.488 3.076 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599592484 460283822 /nfs/dbraw/zinc/28/38/22/460283822.db2.gz ZQNMSRBTZDQLLN-DOTOQJQBSA-N 2 1 335.492 3.271 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599592484 460283825 /nfs/dbraw/zinc/28/38/25/460283825.db2.gz ZQNMSRBTZDQLLN-DOTOQJQBSA-N 2 1 335.492 3.271 20 0 EGADMP CC(C)Oc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000603517260 460315169 /nfs/dbraw/zinc/31/51/69/460315169.db2.gz LMEZXGXCZFCRIQ-HXUWFJFHSA-N 2 1 332.488 3.207 20 0 EGADMP Cc1ccc(-c2ncc(C[NH2+]CCc3c[nH+]cn3C)s2)cc1C ZINC000623085789 460406630 /nfs/dbraw/zinc/40/66/30/460406630.db2.gz FOHQBAQHFWGPAW-UHFFFAOYSA-N 2 1 326.469 3.493 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631664499 460498670 /nfs/dbraw/zinc/49/86/70/460498670.db2.gz NZDGXNAXYWQTNC-QWFCFKBJSA-N 2 1 326.488 3.019 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631668602 460501831 /nfs/dbraw/zinc/50/18/31/460501831.db2.gz ZTADPIHJQBKFMN-TXPKVOOTSA-N 2 1 326.488 3.147 20 0 EGADMP COC(=O)C1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000601289911 460778516 /nfs/dbraw/zinc/77/85/16/460778516.db2.gz WECBDYZLVPMPKG-VHBXLISGSA-N 2 1 344.499 3.076 20 0 EGADMP COc1cccc(SCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629561967 460809452 /nfs/dbraw/zinc/80/94/52/460809452.db2.gz KSMHJHNIXGIAMK-SWLSCSKDSA-N 2 1 348.434 3.246 20 0 EGADMP COc1cccc(SCC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629561967 460809460 /nfs/dbraw/zinc/80/94/60/460809460.db2.gz KSMHJHNIXGIAMK-SWLSCSKDSA-N 2 1 348.434 3.246 20 0 EGADMP CC(=O)N1CC[NH+](Cc2cccc(-c3ccc([C@H](C)[NH3+])cc3)c2)CC1 ZINC000629760056 460912790 /nfs/dbraw/zinc/91/27/90/460912790.db2.gz AJWWATBMTNEYNB-INIZCTEOSA-N 2 1 337.467 3.037 20 0 EGADMP CC(=O)N1CC[NH+](Cc2cccc(-c3ccc([C@@H](C)[NH3+])cc3)c2)CC1 ZINC000629760057 460912915 /nfs/dbraw/zinc/91/29/15/460912915.db2.gz AJWWATBMTNEYNB-MRXNPFEDSA-N 2 1 337.467 3.037 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000624289844 460945612 /nfs/dbraw/zinc/94/56/12/460945612.db2.gz QASHTXDYTJGCGQ-LYRGGWFBSA-N 2 1 331.287 3.489 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CCN1C ZINC000624289844 460945617 /nfs/dbraw/zinc/94/56/17/460945617.db2.gz QASHTXDYTJGCGQ-LYRGGWFBSA-N 2 1 331.287 3.489 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000624289844 460945622 /nfs/dbraw/zinc/94/56/22/460945622.db2.gz QASHTXDYTJGCGQ-LYRGGWFBSA-N 2 1 331.287 3.489 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000624289844 460945625 /nfs/dbraw/zinc/94/56/25/460945625.db2.gz QASHTXDYTJGCGQ-LYRGGWFBSA-N 2 1 331.287 3.489 20 0 EGADMP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H]3CC[N@@H+]3C3CCCC3)cccc21 ZINC000635873009 460957715 /nfs/dbraw/zinc/95/77/15/460957715.db2.gz SEOPVFFQOKZLBP-QZTJIDSGSA-N 2 1 343.471 3.027 20 0 EGADMP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H]3CC[N@H+]3C3CCCC3)cccc21 ZINC000635873009 460957719 /nfs/dbraw/zinc/95/77/19/460957719.db2.gz SEOPVFFQOKZLBP-QZTJIDSGSA-N 2 1 343.471 3.027 20 0 EGADMP CC1CC[NH+](Cc2cccc(CNC(=O)C[N@@H+](C)C3CCC3)c2)CC1 ZINC000629956292 460974258 /nfs/dbraw/zinc/97/42/58/460974258.db2.gz ZJTPVDVMVCLEQS-UHFFFAOYSA-N 2 1 343.515 3.019 20 0 EGADMP CCC1([NH+]2CCOCC2)CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000624702460 461095499 /nfs/dbraw/zinc/09/54/99/461095499.db2.gz GLBQTNCJUYPSOF-UHFFFAOYSA-N 2 1 331.485 3.378 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C12CCCC2 ZINC000646229211 461137653 /nfs/dbraw/zinc/13/76/53/461137653.db2.gz QGOZZOXEHMSHKU-HXUWFJFHSA-N 2 1 344.499 3.041 20 0 EGADMP Cc1cc(C)cc(OCCC[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652347227 461143418 /nfs/dbraw/zinc/14/34/18/461143418.db2.gz WPXOVOAZSWRVJJ-ZJOUEHCJSA-N 2 1 346.515 3.291 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc2ccncc2s1 ZINC000668160236 461145797 /nfs/dbraw/zinc/14/57/97/461145797.db2.gz WRPBBRHWBUBZAZ-QGZVFWFLSA-N 2 1 346.544 3.144 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ncc(-c3cccs3)o2)C1 ZINC000652362528 461154032 /nfs/dbraw/zinc/15/40/32/461154032.db2.gz JCRDYJIFJXUMOT-QLFBSQMISA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ncc(-c3cccs3)o2)C1 ZINC000652362528 461154039 /nfs/dbraw/zinc/15/40/39/461154039.db2.gz JCRDYJIFJXUMOT-QLFBSQMISA-N 2 1 347.484 3.264 20 0 EGADMP CC(C)(C)c1csc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)n1 ZINC000652364126 461157295 /nfs/dbraw/zinc/15/72/95/461157295.db2.gz YSWFRHPUUGFTMR-ZNMIVQPWSA-N 2 1 337.533 3.301 20 0 EGADMP CC(C)(C)c1csc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)n1 ZINC000652364126 461157306 /nfs/dbraw/zinc/15/73/06/461157306.db2.gz YSWFRHPUUGFTMR-ZNMIVQPWSA-N 2 1 337.533 3.301 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCc2nsc3ccccc32)C1 ZINC000662282925 461165727 /nfs/dbraw/zinc/16/57/27/461165727.db2.gz DNECLNWCORAWDB-OLMNPRSZSA-N 2 1 345.512 3.200 20 0 EGADMP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293357 461170129 /nfs/dbraw/zinc/17/01/29/461170129.db2.gz GKUDGJUEIOTIEH-MRXNPFEDSA-N 2 1 349.906 3.299 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCCC[C@H]1O ZINC000649572669 461185480 /nfs/dbraw/zinc/18/54/80/461185480.db2.gz DTNSCNZPLGBRSG-UYAOXDASSA-N 2 1 331.504 3.171 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000638178103 461291874 /nfs/dbraw/zinc/29/18/74/461291874.db2.gz FMOLIXQZIMUFGN-YMQHIKHWSA-N 2 1 328.500 3.364 20 0 EGADMP CC[N@@H+](CCCNC(=O)C1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000652756686 461343045 /nfs/dbraw/zinc/34/30/45/461343045.db2.gz PJBMXRRPIOLYTR-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCOc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655694380 461367921 /nfs/dbraw/zinc/36/79/21/461367921.db2.gz GEDRTRUPUFGGHR-LJQANCHMSA-N 2 1 332.488 3.208 20 0 EGADMP CCc1cccc2c(CC[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)c[nH]c21 ZINC000655711428 461380688 /nfs/dbraw/zinc/38/06/88/461380688.db2.gz JAKGIGMUTIKYFZ-LJQANCHMSA-N 2 1 341.499 3.116 20 0 EGADMP Cc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)c1 ZINC000655710470 461380721 /nfs/dbraw/zinc/38/07/21/461380721.db2.gz BODQJCBRTJGCQF-NQIIRXRSSA-N 2 1 330.516 3.467 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1ccc2ccccc2c1 ZINC000641806558 461381068 /nfs/dbraw/zinc/38/10/68/461381068.db2.gz QAQRAVIGLNAUMY-YXUGBTPSSA-N 2 1 339.483 3.121 20 0 EGADMP Fc1ccc(C2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCC2)cc1 ZINC000655713451 461382107 /nfs/dbraw/zinc/38/21/07/461382107.db2.gz MTYWDLDIIQTLJO-FQEVSTJZSA-N 2 1 346.490 3.480 20 0 EGADMP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1F ZINC000655713400 461382752 /nfs/dbraw/zinc/38/27/52/461382752.db2.gz LMYWZOFTLORZJI-QGZVFWFLSA-N 2 1 334.479 3.336 20 0 EGADMP COc1ccc(C[C@H](C)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655737635 461405552 /nfs/dbraw/zinc/40/55/52/461405552.db2.gz PTJIWSAPXCQLOI-UWJYYQICSA-N 2 1 346.515 3.107 20 0 EGADMP c1ccc2c(c1)SC[C@@H]2C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655771626 461435836 /nfs/dbraw/zinc/43/58/36/461435836.db2.gz NZIGNDCYCMXUEE-RDJZCZTQSA-N 2 1 332.513 3.109 20 0 EGADMP OCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000666120029 461460781 /nfs/dbraw/zinc/46/07/81/461460781.db2.gz GCIPQTPTHGYRHP-APWZRJJASA-N 2 1 336.907 3.413 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000659869341 461471698 /nfs/dbraw/zinc/47/16/98/461471698.db2.gz UGHXUORBHHPWEB-SFHVURJKSA-N 2 1 347.528 3.294 20 0 EGADMP c1ccc([C@@H]2C[C@@H](N[C@@H]3CC[N@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638565840 461487193 /nfs/dbraw/zinc/48/71/93/461487193.db2.gz XWFOBYHYTLFHIN-UEXGIBASSA-N 2 1 325.500 3.181 20 0 EGADMP c1ccc([C@@H]2C[C@@H](N[C@@H]3CC[NH+](C4CC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000638565840 461487201 /nfs/dbraw/zinc/48/72/01/461487201.db2.gz XWFOBYHYTLFHIN-UEXGIBASSA-N 2 1 325.500 3.181 20 0 EGADMP c1ccc([C@@H]2C[C@@H](N[C@@H]3CC[NH+](C4CC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000638565840 461487210 /nfs/dbraw/zinc/48/72/10/461487210.db2.gz XWFOBYHYTLFHIN-UEXGIBASSA-N 2 1 325.500 3.181 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]CCOC[C@@H]3CCCO3)CC[N@@H+]2C2CC2)cc1 ZINC000638635655 461512161 /nfs/dbraw/zinc/51/21/61/461512161.db2.gz XPFQMKJVMKNKCS-GIVPXCGWSA-N 2 1 344.499 3.140 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]CCOC[C@@H]3CCCO3)CC[N@H+]2C2CC2)cc1 ZINC000638635655 461512165 /nfs/dbraw/zinc/51/21/65/461512165.db2.gz XPFQMKJVMKNKCS-GIVPXCGWSA-N 2 1 344.499 3.140 20 0 EGADMP c1[nH]nc2c1C[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000638665025 461521719 /nfs/dbraw/zinc/52/17/19/461521719.db2.gz XZOXKPIZDHIHIN-UEXGIBASSA-N 2 1 336.483 3.225 20 0 EGADMP c1[nH]nc2c1C[C@@H]([NH2+][C@@H]1CC[N@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000638665025 461521727 /nfs/dbraw/zinc/52/17/27/461521727.db2.gz XZOXKPIZDHIHIN-UEXGIBASSA-N 2 1 336.483 3.225 20 0 EGADMP CC[N@@H+](CCCNC(=O)C[C@@H](C)C1CC[NH2+]CC1)C1CCCCC1 ZINC000653200725 461555331 /nfs/dbraw/zinc/55/53/31/461555331.db2.gz NRCWZOJPCBMKLY-QGZVFWFLSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[NH+]1CCC(Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000666322177 461567205 /nfs/dbraw/zinc/56/72/05/461567205.db2.gz NPBAXDRGLUPGQA-QGZVFWFLSA-N 2 1 331.504 3.366 20 0 EGADMP c1cn2c(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)c(C3CC3)nc2s1 ZINC000663344568 461572308 /nfs/dbraw/zinc/57/23/08/461572308.db2.gz AQWJXUMJQZEGDT-OAHLLOKOSA-N 2 1 344.528 3.485 20 0 EGADMP c1cn2c(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)c(C3CC3)nc2s1 ZINC000663344568 461572316 /nfs/dbraw/zinc/57/23/16/461572316.db2.gz AQWJXUMJQZEGDT-OAHLLOKOSA-N 2 1 344.528 3.485 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC[C@@H]1CCc2ccccc21 ZINC000660115560 461588161 /nfs/dbraw/zinc/58/81/61/461588161.db2.gz BIBNDFCXSGHXFZ-ZSXPUABSSA-N 2 1 328.500 3.290 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000650146424 461597579 /nfs/dbraw/zinc/59/75/79/461597579.db2.gz ARORQOQDAXDBJI-KURKYZTESA-N 2 1 343.515 3.226 20 0 EGADMP CN(CC[N@@H+](C)CC[C@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000660139063 461603793 /nfs/dbraw/zinc/60/37/93/461603793.db2.gz HSLWCBOWTUOXIX-LJQANCHMSA-N 2 1 329.532 3.064 20 0 EGADMP Cc1ccc([C@@H](CNc2[nH+]ccc3[nH]ccc32)[NH+]2CCOCC2)cc1 ZINC000663405155 461623194 /nfs/dbraw/zinc/62/31/94/461623194.db2.gz QXQMQBQEEOBOER-LJQANCHMSA-N 2 1 336.439 3.357 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)CNC(C)(c1ccccc1)c1ccccc1 ZINC000660194287 461629013 /nfs/dbraw/zinc/62/90/13/461629013.db2.gz HUXILYJRFSPIHG-HXUWFJFHSA-N 2 1 326.484 3.241 20 0 EGADMP CCCn1nccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631194177 461631785 /nfs/dbraw/zinc/63/17/85/461631785.db2.gz JKHKXEUJPIHMDX-IEBWSBKVSA-N 2 1 326.488 3.151 20 0 EGADMP CCCn1nccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631194177 461631792 /nfs/dbraw/zinc/63/17/92/461631792.db2.gz JKHKXEUJPIHMDX-IEBWSBKVSA-N 2 1 326.488 3.151 20 0 EGADMP CC(C)[C@H]1[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC12CCOCC2 ZINC000666448697 461633083 /nfs/dbraw/zinc/63/30/83/461633083.db2.gz IXHBOGDFXUONOG-HXUWFJFHSA-N 2 1 346.515 3.264 20 0 EGADMP CC[NH+](CC)CCCC1CC[NH+](CCc2nc(C)c(C(C)=O)[nH]2)CC1 ZINC000660245377 461662930 /nfs/dbraw/zinc/66/29/30/461662930.db2.gz XPAVRIWXXYDCDC-UHFFFAOYSA-N 2 1 348.535 3.297 20 0 EGADMP COc1cc(Cl)c(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1OC ZINC000639082499 461715840 /nfs/dbraw/zinc/71/58/40/461715840.db2.gz UBHRJQHLIYXGSP-UHFFFAOYSA-N 2 1 338.879 3.417 20 0 EGADMP COc1cc(Cl)c(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1OC ZINC000639082499 461715846 /nfs/dbraw/zinc/71/58/46/461715846.db2.gz UBHRJQHLIYXGSP-UHFFFAOYSA-N 2 1 338.879 3.417 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643455473 461732309 /nfs/dbraw/zinc/73/23/09/461732309.db2.gz JUXSDBPEUZUJIW-XPKDYRNWSA-N 2 1 327.394 3.014 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@@H]1[NH3+] ZINC000647497267 461734091 /nfs/dbraw/zinc/73/40/91/461734091.db2.gz BFSAAHCONYUNTK-XLIONFOSSA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC[C@@H]1[NH3+] ZINC000647498563 461735845 /nfs/dbraw/zinc/73/58/45/461735845.db2.gz KDKRYPZULDTQPY-KXBFYZLASA-N 2 1 330.451 3.187 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647506107 461738712 /nfs/dbraw/zinc/73/87/12/461738712.db2.gz GWLWHQOHAQYOSJ-GOSISDBHSA-N 2 1 334.895 3.390 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647506107 461738717 /nfs/dbraw/zinc/73/87/17/461738717.db2.gz GWLWHQOHAQYOSJ-GOSISDBHSA-N 2 1 334.895 3.390 20 0 EGADMP Cc1cc(CO)cc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[nH+]1 ZINC000663659823 461739043 /nfs/dbraw/zinc/73/90/43/461739043.db2.gz HXEGQZQTSFDLGC-MAUKXSAKSA-N 2 1 331.485 3.439 20 0 EGADMP Cc1cc(CO)cc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[nH+]1 ZINC000663659823 461739053 /nfs/dbraw/zinc/73/90/53/461739053.db2.gz HXEGQZQTSFDLGC-MAUKXSAKSA-N 2 1 331.485 3.439 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)s2)cn1 ZINC000647542670 461754487 /nfs/dbraw/zinc/75/44/87/461754487.db2.gz AAJFYBPPAYNARY-HOTGVXAUSA-N 2 1 344.528 3.360 20 0 EGADMP c1cn2c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c(C3CC3)nc2s1 ZINC000647543208 461756560 /nfs/dbraw/zinc/75/65/60/461756560.db2.gz JHQLLLHZLFVLRQ-JKSUJKDBSA-N 2 1 344.528 3.485 20 0 EGADMP Fc1ccc(-n2nccc2C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647542965 461756701 /nfs/dbraw/zinc/75/67/01/461756701.db2.gz FKWOCUBEIOVNNG-DLBZAZTESA-N 2 1 342.462 3.223 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1OC ZINC000647544294 461759601 /nfs/dbraw/zinc/75/96/01/461759601.db2.gz ZAQXSSLJXYROIY-ROUUACIJSA-N 2 1 332.488 3.306 20 0 EGADMP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]Cc3ccc4c(n3)CCC4)C2)cc1 ZINC000656496591 461767331 /nfs/dbraw/zinc/76/73/31/461767331.db2.gz HSJZBSXMNSPDES-LJQANCHMSA-N 2 1 335.495 3.225 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]Cc3ccc4c(n3)CCC4)C2)cc1 ZINC000656496591 461767339 /nfs/dbraw/zinc/76/73/39/461767339.db2.gz HSJZBSXMNSPDES-LJQANCHMSA-N 2 1 335.495 3.225 20 0 EGADMP Cn1ccnc1C[C@@H](NCc1cnc(C2CC2)nc1)c1ccccc1 ZINC000656503622 461769826 /nfs/dbraw/zinc/76/98/26/461769826.db2.gz VANSWSCZGOARGU-GOSISDBHSA-N 2 1 333.439 3.161 20 0 EGADMP C[N@@H+](C[C@@]1(C)C[C@@H]1c1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172251 461781256 /nfs/dbraw/zinc/78/12/56/461781256.db2.gz JUWHWYSWKXQWBS-YPAWHYETSA-N 2 1 341.543 3.281 20 0 EGADMP O[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639247444 461825450 /nfs/dbraw/zinc/82/54/50/461825450.db2.gz KVJBPRHIKBWBRE-QCFAMHMHSA-N 2 1 328.500 3.495 20 0 EGADMP O[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639247444 461825455 /nfs/dbraw/zinc/82/54/55/461825455.db2.gz KVJBPRHIKBWBRE-QCFAMHMHSA-N 2 1 328.500 3.495 20 0 EGADMP c1ccc2nc(N3CCCCC3)c(C[NH2+][C@@H]3CCC[NH2+]CC3)cc2c1 ZINC000666856373 461839006 /nfs/dbraw/zinc/83/90/06/461839006.db2.gz FCXZDMGMNAOWAE-LJQANCHMSA-N 2 1 338.499 3.457 20 0 EGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000669931699 461841603 /nfs/dbraw/zinc/84/16/03/461841603.db2.gz RCYCWOVVCDVURN-JOCHJYFZSA-N 2 1 349.522 3.488 20 0 EGADMP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)nnn1-c1ccc(C)cc1 ZINC000647803282 461845685 /nfs/dbraw/zinc/84/56/85/461845685.db2.gz RBTRBSLRRIMXKW-HNNXBMFYSA-N 2 1 335.455 3.194 20 0 EGADMP C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1C[C@@H]1CC[NH2+]C1)OCCO3 ZINC000647874477 461867367 /nfs/dbraw/zinc/86/73/67/461867367.db2.gz ZRNYYTFUJCIELH-HZPDHXFCSA-N 2 1 342.483 3.256 20 0 EGADMP CC[C@H]1C[N@@H+](CC2(COc3cccc(COC)c3)CCC2)CC[C@H]1[NH3+] ZINC000647934875 461892695 /nfs/dbraw/zinc/89/26/95/461892695.db2.gz SZICLSGZNWCJCR-AZUAARDMSA-N 2 1 346.515 3.441 20 0 EGADMP c1cn2c(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c(C3CC3)nc2s1 ZINC000656783791 461894806 /nfs/dbraw/zinc/89/48/06/461894806.db2.gz UKHICHJKOKDORZ-INIZCTEOSA-N 2 1 344.528 3.485 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705706 461898454 /nfs/dbraw/zinc/89/84/54/461898454.db2.gz RUVPLCRLOSBMNF-NLWGTHIKSA-N 2 1 332.488 3.194 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3F)C2)C1 ZINC000650707663 461901078 /nfs/dbraw/zinc/90/10/78/461901078.db2.gz KLHXRKLCCHQPKU-MJEQTWJJSA-N 2 1 326.843 3.197 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(F)cc4cccnc43)C2)C1 ZINC000650708060 461902270 /nfs/dbraw/zinc/90/22/70/461902270.db2.gz SQTFKPDSKGOGIS-ATZDWAIDSA-N 2 1 343.446 3.092 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)[C@@H]1CC[NH3+] ZINC000650711078 461905578 /nfs/dbraw/zinc/90/55/78/461905578.db2.gz HPFKNZMBOZMOJS-CRAIPNDOSA-N 2 1 326.444 3.218 20 0 EGADMP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647975447 461916635 /nfs/dbraw/zinc/91/66/35/461916635.db2.gz AKPJGNRAYALCON-GBESFXJTSA-N 2 1 343.515 3.140 20 0 EGADMP Cc1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647976189 461918609 /nfs/dbraw/zinc/91/86/09/461918609.db2.gz LHMSUHLERYDJHU-MSOLQXFVSA-N 2 1 340.471 3.257 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977678 461919664 /nfs/dbraw/zinc/91/96/64/461919664.db2.gz FZPHYBMPRNUUSF-IAGOWNOFSA-N 2 1 347.478 3.174 20 0 EGADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977948 461920061 /nfs/dbraw/zinc/92/00/61/461920061.db2.gz KCLLBRAVDFGTHI-QXAKKESOSA-N 2 1 343.515 3.288 20 0 EGADMP Fc1ccc(-n2cnc3c2CC[N@@H+](CCCC2CC[NH2+]CC2)C3)cc1 ZINC000647991170 461926626 /nfs/dbraw/zinc/92/66/26/461926626.db2.gz FOFXGGRBXPHFKL-UHFFFAOYSA-N 2 1 342.462 3.149 20 0 EGADMP CC(C)[NH+](CCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)C(C)C ZINC000657384917 462087585 /nfs/dbraw/zinc/08/75/85/462087585.db2.gz VVONERRSPOQMDS-FQEVSTJZSA-N 2 1 334.504 3.453 20 0 EGADMP CC(C)[NH+](CCC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)C(C)C ZINC000657384918 462088745 /nfs/dbraw/zinc/08/87/45/462088745.db2.gz VVONERRSPOQMDS-HXUWFJFHSA-N 2 1 334.504 3.453 20 0 EGADMP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000657386361 462089688 /nfs/dbraw/zinc/08/96/88/462089688.db2.gz FWUNVQSYPFARQJ-OAQYLSRUSA-N 2 1 344.499 3.351 20 0 EGADMP CC[C@H](C)[N@@H+](CC)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000661102795 462104378 /nfs/dbraw/zinc/10/43/78/462104378.db2.gz AINHWKGAVGFAMY-SFHVURJKSA-N 2 1 345.531 3.196 20 0 EGADMP CC[C@H](C)[N@@H+](CC)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000661106319 462106093 /nfs/dbraw/zinc/10/60/93/462106093.db2.gz HULMQGKMOMPGFO-INIZCTEOSA-N 2 1 349.544 3.294 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CC2)CC1 ZINC000654375835 462194542 /nfs/dbraw/zinc/19/45/42/462194542.db2.gz IQVBMLGYMHUYKH-SQGPQFPESA-N 2 1 349.563 3.124 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000667663400 462198527 /nfs/dbraw/zinc/19/85/27/462198527.db2.gz MQIVCPQJGMYPHR-IEBWSBKVSA-N 2 1 332.488 3.018 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000667663400 462198532 /nfs/dbraw/zinc/19/85/32/462198532.db2.gz MQIVCPQJGMYPHR-IEBWSBKVSA-N 2 1 332.488 3.018 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667672813 462206193 /nfs/dbraw/zinc/20/61/93/462206193.db2.gz HWFAYZXLWOVTFH-ICSRJNTNSA-N 2 1 332.488 3.018 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667672813 462206199 /nfs/dbraw/zinc/20/61/99/462206199.db2.gz HWFAYZXLWOVTFH-ICSRJNTNSA-N 2 1 332.488 3.018 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000667681973 462211182 /nfs/dbraw/zinc/21/11/82/462211182.db2.gz WNLBEAIPMGRATF-PXNSSMCTSA-N 2 1 346.515 3.264 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000667681973 462211188 /nfs/dbraw/zinc/21/11/88/462211188.db2.gz WNLBEAIPMGRATF-PXNSSMCTSA-N 2 1 346.515 3.264 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000667681973 462211190 /nfs/dbraw/zinc/21/11/90/462211190.db2.gz WNLBEAIPMGRATF-PXNSSMCTSA-N 2 1 346.515 3.264 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000667681973 462211196 /nfs/dbraw/zinc/21/11/96/462211196.db2.gz WNLBEAIPMGRATF-PXNSSMCTSA-N 2 1 346.515 3.264 20 0 EGADMP CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(C)c1 ZINC000667707166 462223811 /nfs/dbraw/zinc/22/38/11/462223811.db2.gz RSWJCJVCLGFUIZ-YSIASYRMSA-N 2 1 332.488 3.077 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC000648837780 462301136 /nfs/dbraw/zinc/30/11/36/462301136.db2.gz SUPVSMBYJRKDMD-LJQANCHMSA-N 2 1 334.529 3.346 20 0 EGADMP COC[C@@H](CC(C)(C)C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000651752338 462324356 /nfs/dbraw/zinc/32/43/56/462324356.db2.gz BGPVWWUGPOAORM-QGZVFWFLSA-N 2 1 334.508 3.103 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)[C@@H](C)C1 ZINC000658068067 462364420 /nfs/dbraw/zinc/36/44/20/462364420.db2.gz BOFIRQVOAKELLQ-JZXOWHBKSA-N 2 1 335.923 3.486 20 0 EGADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253222 462370819 /nfs/dbraw/zinc/37/08/19/462370819.db2.gz KSIFDDUGGHBTRL-LLBUTXAOSA-N 2 1 338.442 3.205 20 0 EGADMP CCOc1ccccc1NC(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531259 462430876 /nfs/dbraw/zinc/43/08/76/462430876.db2.gz NUQHXCGKQUCUBH-UHFFFAOYSA-N 2 1 347.503 3.222 20 0 EGADMP CCOc1ccccc1NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531259 462430882 /nfs/dbraw/zinc/43/08/82/462430882.db2.gz NUQHXCGKQUCUBH-UHFFFAOYSA-N 2 1 347.503 3.222 20 0 EGADMP C[C@@H](C(=O)NCc1ccccc1F)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532031 462431049 /nfs/dbraw/zinc/43/10/49/462431049.db2.gz TWGPQEAHHQIRTQ-KRWDZBQOSA-N 2 1 349.494 3.028 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c(C2CC2)cnn1C ZINC000658214715 462431882 /nfs/dbraw/zinc/43/18/82/462431882.db2.gz ZDPCAUPARCNRRD-OXQOHEQNSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c(C2CC2)cnn1C ZINC000658214715 462431889 /nfs/dbraw/zinc/43/18/89/462431889.db2.gz ZDPCAUPARCNRRD-OXQOHEQNSA-N 2 1 338.499 3.298 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652136709 462446599 /nfs/dbraw/zinc/44/65/99/462446599.db2.gz WRAFGQQIVDUTJZ-KRWDZBQOSA-N 2 1 348.487 3.380 20 0 EGADMP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000649301806 462473085 /nfs/dbraw/zinc/47/30/85/462473085.db2.gz GAHHMQIWBMGMCK-WOJBJXKFSA-N 2 1 339.483 3.382 20 0 EGADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000649301806 462473089 /nfs/dbraw/zinc/47/30/89/462473089.db2.gz GAHHMQIWBMGMCK-WOJBJXKFSA-N 2 1 339.483 3.382 20 0 EGADMP COc1cccc(C2([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCC2)c1 ZINC000658323181 462478609 /nfs/dbraw/zinc/47/86/09/462478609.db2.gz ILUDPYZPLAMPNW-FQEVSTJZSA-N 2 1 344.499 3.307 20 0 EGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649343203 462481167 /nfs/dbraw/zinc/48/11/67/462481167.db2.gz NMNJKTJCMKTJOQ-QGZVFWFLSA-N 2 1 331.847 3.349 20 0 EGADMP CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418173 462504495 /nfs/dbraw/zinc/50/44/95/462504495.db2.gz BAUYVHMQMZPQBH-OAGGEKHMSA-N 2 1 337.533 3.452 20 0 EGADMP CCO[C@H](C)c1nc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418173 462504499 /nfs/dbraw/zinc/50/44/99/462504499.db2.gz BAUYVHMQMZPQBH-OAGGEKHMSA-N 2 1 337.533 3.452 20 0 EGADMP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000662161104 462533328 /nfs/dbraw/zinc/53/33/28/462533328.db2.gz RPIQFHUFNXKYQT-QFIPXVFZSA-N 2 1 336.479 3.385 20 0 EGADMP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000662161104 462533329 /nfs/dbraw/zinc/53/33/29/462533329.db2.gz RPIQFHUFNXKYQT-QFIPXVFZSA-N 2 1 336.479 3.385 20 0 EGADMP C[C@@H](c1cccc2ccccc21)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640991266 462536881 /nfs/dbraw/zinc/53/68/81/462536881.db2.gz GBUYISDEQAVFIF-INIZCTEOSA-N 2 1 349.482 3.006 20 0 EGADMP C[N@@H+](CCOc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746878 522903400 /nfs/dbraw/zinc/90/34/00/522903400.db2.gz LDCRKIQQWODTNM-YIONKMFJSA-N 2 1 339.277 3.043 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)cc1)C(C)C ZINC000174470414 527815772 /nfs/dbraw/zinc/81/57/72/527815772.db2.gz PHGYNVRUYYNSDC-IBGZPJMESA-N 2 1 345.531 3.331 20 0 EGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)C1 ZINC000174470414 527815775 /nfs/dbraw/zinc/81/57/75/527815775.db2.gz PHGYNVRUYYNSDC-IBGZPJMESA-N 2 1 345.531 3.331 20 0 EGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)C1 ZINC000174470414 527815783 /nfs/dbraw/zinc/81/57/83/527815783.db2.gz PHGYNVRUYYNSDC-IBGZPJMESA-N 2 1 345.531 3.331 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@H](C)c1ccccc1 ZINC000191483377 528861806 /nfs/dbraw/zinc/86/18/06/528861806.db2.gz WFPWHIOHUNDJAE-QGZVFWFLSA-N 2 1 342.487 3.035 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@H](C)c1ccccc1 ZINC000191483377 528861815 /nfs/dbraw/zinc/86/18/15/528861815.db2.gz WFPWHIOHUNDJAE-QGZVFWFLSA-N 2 1 342.487 3.035 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H](Nc3cc[nH+]cc3C)C2)cc(OC)c1 ZINC000192676683 536772290 /nfs/dbraw/zinc/77/22/90/536772290.db2.gz FRTGZXXSNKDPJH-INIZCTEOSA-N 2 1 327.428 3.094 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(=O)N1CCCC1 ZINC000089724256 546647725 /nfs/dbraw/zinc/64/77/25/546647725.db2.gz WDRFNIIKUAPSSN-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP Cc1cc(C)c(NC(=O)CCC[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000137413806 546845208 /nfs/dbraw/zinc/84/52/08/546845208.db2.gz JMEZBHMXTNJROW-GOSISDBHSA-N 2 1 331.504 3.214 20 0 EGADMP COc1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)cc1 ZINC000165990240 546987566 /nfs/dbraw/zinc/98/75/66/546987566.db2.gz RYKKWGIZDZWRRB-ZVDOUQERSA-N 2 1 343.515 3.049 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)N2CCCC2)cc1 ZINC000165990240 546987570 /nfs/dbraw/zinc/98/75/70/546987570.db2.gz RYKKWGIZDZWRRB-ZVDOUQERSA-N 2 1 343.515 3.049 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)N2CCCC2)cc1 ZINC000165990240 546987574 /nfs/dbraw/zinc/98/75/74/546987574.db2.gz RYKKWGIZDZWRRB-ZVDOUQERSA-N 2 1 343.515 3.049 20 0 EGADMP OCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000248445667 547299046 /nfs/dbraw/zinc/29/90/46/547299046.db2.gz CESUCOOTVHRDNV-SLFFLAALSA-N 2 1 328.500 3.039 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000248449318 547299222 /nfs/dbraw/zinc/29/92/22/547299222.db2.gz ONEMDZNSHVHFDO-TZIWHRDSSA-N 2 1 340.442 3.169 20 0 EGADMP Cc1cccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000280566172 547373417 /nfs/dbraw/zinc/37/34/17/547373417.db2.gz LHEUQGKVALRRJX-BAGYTPMASA-N 2 1 335.495 3.433 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccnn1-c1ccccc1 ZINC000281161968 547376858 /nfs/dbraw/zinc/37/68/58/547376858.db2.gz BMWWERDNHUOFAE-QZTJIDSGSA-N 2 1 342.487 3.024 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccnn1-c1ccccc1 ZINC000281161968 547376862 /nfs/dbraw/zinc/37/68/62/547376862.db2.gz BMWWERDNHUOFAE-QZTJIDSGSA-N 2 1 342.487 3.024 20 0 EGADMP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000339065409 547567391 /nfs/dbraw/zinc/56/73/91/547567391.db2.gz BHNVRNTUYVAAOD-MSOLQXFVSA-N 3 1 333.545 3.177 20 0 EGADMP Fc1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCOCC2)cc1 ZINC000339073988 547568542 /nfs/dbraw/zinc/56/85/42/547568542.db2.gz HOMPOABNAHLMFJ-OALUTQOASA-N 2 1 332.463 3.090 20 0 EGADMP CC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000339068056 547569361 /nfs/dbraw/zinc/56/93/61/547569361.db2.gz JQUSSOUIFZZKRD-MOPGFXCFSA-N 2 1 328.504 3.034 20 0 EGADMP CC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000339068056 547569366 /nfs/dbraw/zinc/56/93/66/547569366.db2.gz JQUSSOUIFZZKRD-MOPGFXCFSA-N 2 1 328.504 3.034 20 0 EGADMP Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000339278995 547574799 /nfs/dbraw/zinc/57/47/99/547574799.db2.gz NSKCZVDBVQLAAN-QGZVFWFLSA-N 2 1 347.503 3.138 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000344767354 547613804 /nfs/dbraw/zinc/61/38/04/547613804.db2.gz HXZTUAHSEKMSMK-HZPDHXFCSA-N 2 1 346.441 3.436 20 0 EGADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000385723556 547822648 /nfs/dbraw/zinc/82/26/48/547822648.db2.gz JMSHXLUYZJPBDC-RTWAWAEBSA-N 2 1 340.515 3.410 20 0 EGADMP C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000390591083 547828687 /nfs/dbraw/zinc/82/86/87/547828687.db2.gz PGPNDNKTDAVXSJ-BVOGOJNSSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000390591083 547828691 /nfs/dbraw/zinc/82/86/91/547828691.db2.gz PGPNDNKTDAVXSJ-BVOGOJNSSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3scnc3C3CC3)CC2)C[C@H](C)O1 ZINC000494987147 547994880 /nfs/dbraw/zinc/99/48/80/547994880.db2.gz SIZMJPNQFLVCJV-GASCZTMLSA-N 2 1 349.544 3.342 20 0 EGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675883122 548996449 /nfs/dbraw/zinc/99/64/49/548996449.db2.gz WRXLSFQTMZRGRY-PZJWPPBQSA-N 2 1 344.499 3.306 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC000678139325 549407815 /nfs/dbraw/zinc/40/78/15/549407815.db2.gz RLMOOVDRDYDXRV-UHFFFAOYSA-N 2 1 341.503 3.211 20 0 EGADMP CC[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000678214185 549426084 /nfs/dbraw/zinc/42/60/84/549426084.db2.gz MYBLVEVHHLEXJF-HKUYNNGSSA-N 2 1 332.488 3.161 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000678214185 549426088 /nfs/dbraw/zinc/42/60/88/549426088.db2.gz MYBLVEVHHLEXJF-HKUYNNGSSA-N 2 1 332.488 3.161 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccc(OC)c2)C[C@H]1C ZINC000678276400 549455392 /nfs/dbraw/zinc/45/53/92/549455392.db2.gz HPZXPOUDKCSVFI-CRAIPNDOSA-N 2 1 342.487 3.390 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccc(OC)c2)C[C@H]1C ZINC000678276400 549455398 /nfs/dbraw/zinc/45/53/98/549455398.db2.gz HPZXPOUDKCSVFI-CRAIPNDOSA-N 2 1 342.487 3.390 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2cccc(OC)c2)C[C@H]1C ZINC000678276400 549455401 /nfs/dbraw/zinc/45/54/01/549455401.db2.gz HPZXPOUDKCSVFI-CRAIPNDOSA-N 2 1 342.487 3.390 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2cccc(OC)c2)C[C@H]1C ZINC000678276400 549455405 /nfs/dbraw/zinc/45/54/05/549455405.db2.gz HPZXPOUDKCSVFI-CRAIPNDOSA-N 2 1 342.487 3.390 20 0 EGADMP Clc1cscc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000678282975 549459134 /nfs/dbraw/zinc/45/91/34/549459134.db2.gz RSIWONXCGQAJIZ-UHFFFAOYSA-N 2 1 328.909 3.478 20 0 EGADMP Fc1cc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)ccc1Cl ZINC000678608954 549531489 /nfs/dbraw/zinc/53/14/89/549531489.db2.gz DHMOUJOGYXRYCE-KKUMJFAQSA-N 2 1 337.870 3.274 20 0 EGADMP CC(C)(C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000678729394 549549446 /nfs/dbraw/zinc/54/94/46/549549446.db2.gz BQJDSJPEXKDHQF-JOCHJYFZSA-N 2 1 338.495 3.191 20 0 EGADMP CC(C)(C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000678729394 549549451 /nfs/dbraw/zinc/54/94/51/549549451.db2.gz BQJDSJPEXKDHQF-JOCHJYFZSA-N 2 1 338.495 3.191 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)c2ccccc21 ZINC000678774309 549558459 /nfs/dbraw/zinc/55/84/59/549558459.db2.gz HSMCJWPQZUJBAJ-LJQANCHMSA-N 2 1 329.488 3.194 20 0 EGADMP Cc1c(C[NH+]2CCSCC2)cccc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000679143776 549644004 /nfs/dbraw/zinc/64/40/04/549644004.db2.gz ZTEWSSRLFXMCBL-YJBOKZPZSA-N 2 1 333.545 3.438 20 0 EGADMP C[N@H+]1CC[C@H]2CCN(Cc3cnn(Cc4ccccc4Cl)c3)[C@@H]2C1 ZINC000679364580 549697113 /nfs/dbraw/zinc/69/71/13/549697113.db2.gz HLXCXTKPBDPUBV-QFBILLFUSA-N 2 1 344.890 3.111 20 0 EGADMP Cn1c2cc(F)ccc2[nH+]c1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000680977262 549936461 /nfs/dbraw/zinc/93/64/61/549936461.db2.gz WEZAAPPTJZRKEM-UHFFFAOYSA-N 2 1 342.418 3.265 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000681758114 550033839 /nfs/dbraw/zinc/03/38/39/550033839.db2.gz BWIGPLUYKJFZAR-FQEVSTJZSA-N 2 1 332.488 3.018 20 0 EGADMP COc1cc(C)c([C@H](C)[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1C ZINC000682071520 550068092 /nfs/dbraw/zinc/06/80/92/550068092.db2.gz OWCMNJQVAVAXMN-RBUKOAKNSA-N 2 1 345.531 3.085 20 0 EGADMP C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000682408932 550095804 /nfs/dbraw/zinc/09/58/04/550095804.db2.gz DKUGEOMSTKUKCP-LVCYWYKZSA-N 2 1 346.515 3.143 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H]3CCCc4cccnc43)CC2)nc(C)[nH+]1 ZINC000684956905 550388413 /nfs/dbraw/zinc/38/84/13/550388413.db2.gz CXMZKEIWHGBERZ-SFHVURJKSA-N 2 1 337.471 3.124 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccccc1-n1cncn1 ZINC000685456733 550418328 /nfs/dbraw/zinc/41/83/28/550418328.db2.gz RBVYLBXUSCJOOK-UHFFFAOYSA-N 2 1 349.482 3.351 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000685466742 550420728 /nfs/dbraw/zinc/42/07/28/550420728.db2.gz RCLIBHFWYURWCR-UHFFFAOYSA-N 2 1 325.456 3.187 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470393 550420944 /nfs/dbraw/zinc/42/09/44/550420944.db2.gz LJCVQAGQYJHYBI-BEFAXECRSA-N 2 1 346.906 3.357 20 0 EGADMP CCCC[C@@H](C)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000685612196 550432906 /nfs/dbraw/zinc/43/29/06/550432906.db2.gz OZCHTLCETJZNJZ-GOSISDBHSA-N 2 1 345.531 3.409 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3cc(C)ccc23)C[C@H]1C ZINC000740883036 576633268 /nfs/dbraw/zinc/63/32/68/576633268.db2.gz MCHJOFJDCIXYOD-NVXWUHKLSA-N 2 1 328.456 3.406 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3cc(C)ccc23)C[C@H]1C ZINC000740883036 576633269 /nfs/dbraw/zinc/63/32/69/576633269.db2.gz MCHJOFJDCIXYOD-NVXWUHKLSA-N 2 1 328.456 3.406 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)oc3cc(C)ccc23)C[C@H]1C ZINC000740883036 576633271 /nfs/dbraw/zinc/63/32/71/576633271.db2.gz MCHJOFJDCIXYOD-NVXWUHKLSA-N 2 1 328.456 3.406 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)oc3cc(C)ccc23)C[C@H]1C ZINC000740883036 576633274 /nfs/dbraw/zinc/63/32/74/576633274.db2.gz MCHJOFJDCIXYOD-NVXWUHKLSA-N 2 1 328.456 3.406 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@H](CC(C)C)CC1=O ZINC000744434641 576828200 /nfs/dbraw/zinc/82/82/00/576828200.db2.gz UVUQZHKMYAEBSD-FQEVSTJZSA-N 2 1 345.531 3.422 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@H](CC(C)C)CC1=O ZINC000744434641 576828201 /nfs/dbraw/zinc/82/82/01/576828201.db2.gz UVUQZHKMYAEBSD-FQEVSTJZSA-N 2 1 345.531 3.422 20 0 EGADMP C[C@H](N[C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000693713383 1298150520 /nfs/dbraw/zinc/15/05/20/1298150520.db2.gz OBDBXGJOXBSQEA-AYZHRIAMSA-N 2 1 341.543 3.263 20 0 EGADMP C[C@H]([NH2+][C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000693713383 1298150525 /nfs/dbraw/zinc/15/05/25/1298150525.db2.gz OBDBXGJOXBSQEA-AYZHRIAMSA-N 3 1 341.543 3.263 20 0 EGADMP C[C@H]([NH2+][C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000693713383 1298150529 /nfs/dbraw/zinc/15/05/29/1298150529.db2.gz OBDBXGJOXBSQEA-AYZHRIAMSA-N 3 1 341.543 3.263 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000071825228 1292269276 /nfs/dbraw/zinc/26/92/76/1292269276.db2.gz MCEARLKATVKQMN-HNNXBMFYSA-N 2 1 338.455 3.265 20 0 EGADMP c1ncn(-c2ccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2)n1 ZINC000075733802 1292408450 /nfs/dbraw/zinc/40/84/50/1292408450.db2.gz GFBAZQFQKATKAT-UHFFFAOYSA-N 2 1 347.466 3.022 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000093844595 1292935924 /nfs/dbraw/zinc/93/59/24/1292935924.db2.gz GIJNHNDBVNPPKH-HNNXBMFYSA-N 2 1 349.544 3.324 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000107279987 1293063527 /nfs/dbraw/zinc/06/35/27/1293063527.db2.gz VUSYYVNQTZURIO-LJQANCHMSA-N 2 1 347.503 3.220 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834530052 1293111888 /nfs/dbraw/zinc/11/18/88/1293111888.db2.gz AAWNIIDUKTURCJ-YESZJQIVSA-N 2 1 339.524 3.096 20 0 EGADMP Cn1nc(C(F)(F)F)c(C[NH2+]CCCC[N@@H+](C)C2CC2)c1Cl ZINC000835064826 1293197690 /nfs/dbraw/zinc/19/76/90/1293197690.db2.gz ZPBOPQQFRKEQNK-UHFFFAOYSA-N 2 1 338.805 3.056 20 0 EGADMP Cc1nn(C)c(C)c1C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116368686 1293204107 /nfs/dbraw/zinc/20/41/07/1293204107.db2.gz RRMHDXMRQWYSAS-INIZCTEOSA-N 2 1 326.488 3.352 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2CC(=O)OC)CC1 ZINC000132668945 1293725751 /nfs/dbraw/zinc/72/57/51/1293725751.db2.gz FXTGKKFJQQVSDM-UHFFFAOYSA-N 2 1 346.515 3.346 20 0 EGADMP O=C(CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)NC1CCCCCCC1 ZINC000134919316 1293784373 /nfs/dbraw/zinc/78/43/73/1293784373.db2.gz UVIGTHZCDGJDPI-YLJYHZDGSA-N 2 1 347.547 3.164 20 0 EGADMP Fc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1Cl ZINC000162785085 1294321649 /nfs/dbraw/zinc/32/16/49/1294321649.db2.gz VVZFTASQACKRBM-CQSZACIVSA-N 2 1 326.843 3.070 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000164591658 1294349692 /nfs/dbraw/zinc/34/96/92/1294349692.db2.gz OMZXYDYZAABAJF-AHRSYUTCSA-N 2 1 343.515 3.195 20 0 EGADMP O=C(Nc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1)c1ccco1 ZINC000166071813 1294361144 /nfs/dbraw/zinc/36/11/44/1294361144.db2.gz JVVVSPIMZPLUBM-SJLPKXTDSA-N 2 1 339.439 3.248 20 0 EGADMP O=C(Nc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1)c1ccco1 ZINC000166071813 1294361151 /nfs/dbraw/zinc/36/11/51/1294361151.db2.gz JVVVSPIMZPLUBM-SJLPKXTDSA-N 2 1 339.439 3.248 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000172799863 1294444770 /nfs/dbraw/zinc/44/47/70/1294444770.db2.gz BVEXQMBTLYGYHQ-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP CCC1(CC)[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C[C@@H]1OC ZINC000181851881 1294997412 /nfs/dbraw/zinc/99/74/12/1294997412.db2.gz RSVZTVUCKVPWIA-ROUUACIJSA-N 2 1 326.525 3.059 20 0 EGADMP CN1c2ccc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc2CCC1=O ZINC000187007134 1295361924 /nfs/dbraw/zinc/36/19/24/1295361924.db2.gz QZCZAWXSABLBRE-LJQANCHMSA-N 2 1 341.499 3.046 20 0 EGADMP CN1c2ccc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc2CCC1=O ZINC000187007134 1295361932 /nfs/dbraw/zinc/36/19/32/1295361932.db2.gz QZCZAWXSABLBRE-LJQANCHMSA-N 2 1 341.499 3.046 20 0 EGADMP C[C@@H]([NH2+]CC1CCC2(CC1)OCCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000190334006 1295583513 /nfs/dbraw/zinc/58/35/13/1295583513.db2.gz RNSZQWQOYKQFAJ-SJLPKXTDSA-N 2 1 336.520 3.162 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000226336557 1296138614 /nfs/dbraw/zinc/13/86/14/1296138614.db2.gz NLMXJHULBDMERA-HZPDHXFCSA-N 2 1 327.513 3.142 20 0 EGADMP CC(C)[C@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000236699057 1296197487 /nfs/dbraw/zinc/19/74/87/1296197487.db2.gz YGPRKHTVDPSYAY-IRXDYDNUSA-N 2 1 339.524 3.096 20 0 EGADMP Cn1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)cn1 ZINC000237155676 1296224030 /nfs/dbraw/zinc/22/40/30/1296224030.db2.gz CDTBFUMKEFAHOW-UHFFFAOYSA-N 2 1 326.488 3.474 20 0 EGADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1F ZINC000238016612 1296276161 /nfs/dbraw/zinc/27/61/61/1296276161.db2.gz MZAMECPMAAZCKL-FQEVSTJZSA-N 2 1 328.431 3.113 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000247670423 1296399301 /nfs/dbraw/zinc/39/93/01/1296399301.db2.gz ZILXDBMYRRTDGV-SJORKVTESA-N 2 1 339.524 3.240 20 0 EGADMP Fc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)s1 ZINC000262066575 1296616738 /nfs/dbraw/zinc/61/67/38/1296616738.db2.gz BHZBCUKYZMHZSC-OAHLLOKOSA-N 2 1 345.487 3.034 20 0 EGADMP Fc1ccccc1-c1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)s1 ZINC000262066574 1296616967 /nfs/dbraw/zinc/61/69/67/1296616967.db2.gz BHZBCUKYZMHZSC-HNNXBMFYSA-N 2 1 345.487 3.034 20 0 EGADMP CNC(=O)c1cccc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c1 ZINC000872156391 1296776033 /nfs/dbraw/zinc/77/60/33/1296776033.db2.gz IVTOOUAKGARGHV-YLJYHZDGSA-N 2 1 343.515 3.166 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000310045492 1297084232 /nfs/dbraw/zinc/08/42/32/1297084232.db2.gz ZEWYUGNIPLLWDQ-SJORKVTESA-N 2 1 341.540 3.390 20 0 EGADMP CCON1CCC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000323129348 1297195158 /nfs/dbraw/zinc/19/51/58/1297195158.db2.gz PYVIBLYTQXDENW-HXUWFJFHSA-N 2 1 345.531 3.294 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)[C@@H](n2cncn2)C1 ZINC000340469822 1297313396 /nfs/dbraw/zinc/31/33/96/1297313396.db2.gz MJDBFTWWXJWSCK-NEWSRXKRSA-N 2 1 333.524 3.252 20 0 EGADMP CC[C@H](O)C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1 ZINC000873207700 1297352787 /nfs/dbraw/zinc/35/27/87/1297352787.db2.gz OHVASDUWNAIQDK-KRWDZBQOSA-N 2 1 330.497 3.167 20 0 EGADMP OCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CCCc2ccccc21 ZINC000873206316 1297353868 /nfs/dbraw/zinc/35/38/68/1297353868.db2.gz ZNJDWEGFIUPMEV-LJQANCHMSA-N 2 1 342.508 3.266 20 0 EGADMP C[C@H](O)c1ncc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)s1 ZINC000873232652 1297374908 /nfs/dbraw/zinc/37/49/08/1297374908.db2.gz UTCRAKYQYFPWIL-VBQJREDUSA-N 2 1 337.533 3.316 20 0 EGADMP C[C@@H](CC[NH2+]C[C@@H](O)c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1 ZINC000379616588 1297535169 /nfs/dbraw/zinc/53/51/69/1297535169.db2.gz CPKPLIQMBQKDSY-OXJNMPFZSA-N 2 1 330.447 3.359 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000379899362 1297542884 /nfs/dbraw/zinc/54/28/84/1297542884.db2.gz IFSFEPGSOJFWOX-BRWVUGGUSA-N 2 1 339.524 3.286 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000382766370 1297565220 /nfs/dbraw/zinc/56/52/20/1297565220.db2.gz VEOLKAYGQRJSNB-XLIONFOSSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000382766370 1297565232 /nfs/dbraw/zinc/56/52/32/1297565232.db2.gz VEOLKAYGQRJSNB-XLIONFOSSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000396456552 1297688960 /nfs/dbraw/zinc/68/89/60/1297688960.db2.gz NDSLLMRHLNUIOB-SFHVURJKSA-N 3 1 329.532 3.013 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400559343 1297731058 /nfs/dbraw/zinc/73/10/58/1297731058.db2.gz HIUQLNUCYYRZKF-OWCLPIDISA-N 2 1 327.513 3.093 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400559343 1297731072 /nfs/dbraw/zinc/73/10/72/1297731072.db2.gz HIUQLNUCYYRZKF-OWCLPIDISA-N 2 1 327.513 3.093 20 0 EGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400445661 1297731315 /nfs/dbraw/zinc/73/13/15/1297731315.db2.gz PNMPLJACUHLLEK-CVEARBPZSA-N 2 1 341.540 3.342 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400445661 1297731324 /nfs/dbraw/zinc/73/13/24/1297731324.db2.gz PNMPLJACUHLLEK-CVEARBPZSA-N 2 1 341.540 3.342 20 0 EGADMP C[C@@H]1CN(C(=O)CCCCCC[NH3+])[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000404381513 1297752318 /nfs/dbraw/zinc/75/23/18/1297752318.db2.gz LHUMLKJTRFHAFP-CEXWTWQISA-N 2 1 345.531 3.406 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C12CCC2 ZINC000404542248 1297755680 /nfs/dbraw/zinc/75/56/80/1297755680.db2.gz RGVMZHXESSLASH-WCXIOVBPSA-N 2 1 349.519 3.039 20 0 EGADMP CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C12CCC2 ZINC000453071485 1297889954 /nfs/dbraw/zinc/88/99/54/1297889954.db2.gz ONVFGSOKGFTNNI-QZTJIDSGSA-N 2 1 329.419 3.367 20 0 EGADMP C[NH+](C)C1(c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)CC1 ZINC000585133680 1298037057 /nfs/dbraw/zinc/03/70/57/1298037057.db2.gz QJIKRBBRPXHRCR-UHFFFAOYSA-N 2 1 326.444 3.273 20 0 EGADMP CC[C@@H]1CCC[C@@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000702635389 1298195340 /nfs/dbraw/zinc/19/53/40/1298195340.db2.gz JGBKMWHXVIXAPR-NRSPTQNISA-N 2 1 330.516 3.429 20 0 EGADMP CC[C@@H]1CCC[C@@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000702635389 1298195350 /nfs/dbraw/zinc/19/53/50/1298195350.db2.gz JGBKMWHXVIXAPR-NRSPTQNISA-N 2 1 330.516 3.429 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOC(F)(F)F ZINC000713415574 1298269809 /nfs/dbraw/zinc/26/98/09/1298269809.db2.gz KRHMDXBPTGYLTE-GDBMZVCRSA-N 2 1 330.394 3.413 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOC(F)(F)F ZINC000713415574 1298269819 /nfs/dbraw/zinc/26/98/19/1298269819.db2.gz KRHMDXBPTGYLTE-GDBMZVCRSA-N 2 1 330.394 3.413 20 0 EGADMP COc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715512785 1298279860 /nfs/dbraw/zinc/27/98/60/1298279860.db2.gz PDCGZRJUFXMBBB-CABCVRRESA-N 2 1 341.293 3.420 20 0 EGADMP CCOC(=O)N1CCC(C)(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)CC1 ZINC000876760055 1298966349 /nfs/dbraw/zinc/96/63/49/1298966349.db2.gz RUCVAWYFIVZARD-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP CCOC(=O)N1CCC(C)(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000876760055 1298966362 /nfs/dbraw/zinc/96/63/62/1298966362.db2.gz RUCVAWYFIVZARD-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP CCOC(=O)N1CCC(C)(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000876760055 1298966371 /nfs/dbraw/zinc/96/63/71/1298966371.db2.gz RUCVAWYFIVZARD-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP Cc1cnc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)o1 ZINC000876865564 1299040375 /nfs/dbraw/zinc/04/03/75/1299040375.db2.gz CJNWDWSNAUPFEZ-UHFFFAOYSA-N 2 1 328.460 3.373 20 0 EGADMP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)OCc1ccccc1 ZINC000752069199 1299688769 /nfs/dbraw/zinc/68/87/69/1299688769.db2.gz VPZYAFWCDYRCKN-UHFFFAOYSA-N 2 1 344.499 3.318 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000878049067 1299726022 /nfs/dbraw/zinc/72/60/22/1299726022.db2.gz YDJLTRUZFWYSMD-LJQANCHMSA-N 2 1 338.536 3.014 20 0 EGADMP c1cc(N2CCCCC2)ccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000754785358 1300215273 /nfs/dbraw/zinc/21/52/73/1300215273.db2.gz KPGKYWKLKIQFGZ-TZIWHRDSSA-N 2 1 327.516 3.436 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000765770442 1302322679 /nfs/dbraw/zinc/32/26/79/1302322679.db2.gz XQSKUSLABHNBQN-KRWDZBQOSA-N 2 1 332.536 3.041 20 0 EGADMP O=C(CC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2)C1CC1 ZINC000767410896 1302664871 /nfs/dbraw/zinc/66/48/71/1302664871.db2.gz GDGVESXVYHJJOY-NRFANRHFSA-N 2 1 326.484 3.344 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]([NH3+])CC1CC1)C1CCCCC1 ZINC000884198570 1302770210 /nfs/dbraw/zinc/77/02/10/1302770210.db2.gz AKFFHCAAIIFPGS-FQEVSTJZSA-N 2 1 343.515 3.195 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCc3c(F)cccc3C2)cc1 ZINC000769387775 1303103480 /nfs/dbraw/zinc/10/34/80/1303103480.db2.gz NXINIOVDGVYJBO-UHFFFAOYSA-N 2 1 328.431 3.324 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCc3c(F)cccc3C2)cc1 ZINC000769387775 1303103485 /nfs/dbraw/zinc/10/34/85/1303103485.db2.gz NXINIOVDGVYJBO-UHFFFAOYSA-N 2 1 328.431 3.324 20 0 EGADMP Cc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cnc1Cl ZINC000769505839 1303130058 /nfs/dbraw/zinc/13/00/58/1303130058.db2.gz IVIHLSMOCHKICK-UHFFFAOYSA-N 2 1 337.895 3.120 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CN2C[C@H](C(C)C)CC2=O)CC1)CC1CC1 ZINC000770685416 1303306176 /nfs/dbraw/zinc/30/61/76/1303306176.db2.gz OLBXAQUPIQFYCN-HXUWFJFHSA-N 2 1 349.563 3.282 20 0 EGADMP C([NH2+][C@@H]1CCOC2(CCOCC2)C1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000886104494 1303355574 /nfs/dbraw/zinc/35/55/74/1303355574.db2.gz DGTRVSGNFRHQRC-IEBWSBKVSA-N 2 1 336.520 3.101 20 0 EGADMP CO[C@H](Cc1ccccc1)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886661161 1303542650 /nfs/dbraw/zinc/54/26/50/1303542650.db2.gz OBIDVYPPUFJDRS-LJQANCHMSA-N 2 1 327.472 3.464 20 0 EGADMP Cc1[nH]c(C2CC[NH+](CCOCC(F)(F)C(F)F)CC2)[nH+]c1C ZINC000886663383 1303543592 /nfs/dbraw/zinc/54/35/92/1303543592.db2.gz ZJGAMQXGHZJAEZ-UHFFFAOYSA-N 2 1 337.361 3.123 20 0 EGADMP CC(=O)Nc1cccc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c1 ZINC000886666553 1303546974 /nfs/dbraw/zinc/54/69/74/1303546974.db2.gz VFONULARRUGRJB-UHFFFAOYSA-N 2 1 326.444 3.365 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000886870386 1303621380 /nfs/dbraw/zinc/62/13/80/1303621380.db2.gz XHBISWHONMDAJJ-SFHVURJKSA-N 2 1 335.879 3.134 20 0 EGADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H](C)c2nncn2C)ccc1OC ZINC000775378819 1303950153 /nfs/dbraw/zinc/95/01/53/1303950153.db2.gz CBSJDMHQVSPUPR-GJZGRUSLSA-N 2 1 345.491 3.077 20 0 EGADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2C)ccc1OC ZINC000775382474 1303951357 /nfs/dbraw/zinc/95/13/57/1303951357.db2.gz OQYSVCSLZNTOJY-INIZCTEOSA-N 3 1 344.503 3.393 20 0 EGADMP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000779004769 1304517054 /nfs/dbraw/zinc/51/70/54/1304517054.db2.gz ZAAFTASIBMLULR-JKSUJKDBSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000782185496 1304927175 /nfs/dbraw/zinc/92/71/75/1304927175.db2.gz XRTUKEFUOLTOEX-NQIIRXRSSA-N 2 1 329.532 3.313 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000782185496 1304927177 /nfs/dbraw/zinc/92/71/77/1304927177.db2.gz XRTUKEFUOLTOEX-NQIIRXRSSA-N 3 1 329.532 3.313 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000782185496 1304927181 /nfs/dbraw/zinc/92/71/81/1304927181.db2.gz XRTUKEFUOLTOEX-NQIIRXRSSA-N 3 1 329.532 3.313 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)CC2CC[NH+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000782185496 1304927185 /nfs/dbraw/zinc/92/71/85/1304927185.db2.gz XRTUKEFUOLTOEX-NQIIRXRSSA-N 3 1 329.532 3.313 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000782185496 1304927189 /nfs/dbraw/zinc/92/71/89/1304927189.db2.gz XRTUKEFUOLTOEX-NQIIRXRSSA-N 3 1 329.532 3.313 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc1 ZINC000893021657 1305661910 /nfs/dbraw/zinc/66/19/10/1305661910.db2.gz VWGCOEGGPVPCOT-KSSFIOAISA-N 2 1 331.485 3.324 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nc1 ZINC000893021657 1305661916 /nfs/dbraw/zinc/66/19/16/1305661916.db2.gz VWGCOEGGPVPCOT-KSSFIOAISA-N 2 1 331.485 3.324 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](O)c1c(F)cccc1Cl ZINC000893087950 1305700486 /nfs/dbraw/zinc/70/04/86/1305700486.db2.gz HODBORHHZSPZQA-ZXACGFKOSA-N 2 1 326.843 3.116 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](O)c1c(F)cccc1Cl ZINC000893087950 1305700494 /nfs/dbraw/zinc/70/04/94/1305700494.db2.gz HODBORHHZSPZQA-ZXACGFKOSA-N 2 1 326.843 3.116 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC1CC[NH+](C)CC1 ZINC000893103169 1305708065 /nfs/dbraw/zinc/70/80/65/1305708065.db2.gz MCPIAJVKXRCUMW-QZTJIDSGSA-N 2 1 329.532 3.074 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000788479633 1305952446 /nfs/dbraw/zinc/95/24/46/1305952446.db2.gz XVPZMZPWZVDVCD-IAGOWNOFSA-N 2 1 343.298 3.225 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)CC1 ZINC000788489425 1305955376 /nfs/dbraw/zinc/95/53/76/1305955376.db2.gz PCLMKUCGTGZYMN-SFHVURJKSA-N 2 1 345.535 3.374 20 0 EGADMP C[NH+]1CCC(C[N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)CC1 ZINC000788489425 1305955379 /nfs/dbraw/zinc/95/53/79/1305955379.db2.gz PCLMKUCGTGZYMN-SFHVURJKSA-N 2 1 345.535 3.374 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)CC1 ZINC000788489425 1305955384 /nfs/dbraw/zinc/95/53/84/1305955384.db2.gz PCLMKUCGTGZYMN-SFHVURJKSA-N 2 1 345.535 3.374 20 0 EGADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000788816565 1306022035 /nfs/dbraw/zinc/02/20/35/1306022035.db2.gz SYRZDKZSSTZKMT-JXFKEZNVSA-N 2 1 325.456 3.350 20 0 EGADMP CCn1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(-c2ccccc2)n1 ZINC000894002245 1306172674 /nfs/dbraw/zinc/17/26/74/1306172674.db2.gz OHDSNXPFOUYQGI-UHFFFAOYSA-N 2 1 326.488 3.344 20 0 EGADMP C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000894074556 1306203983 /nfs/dbraw/zinc/20/39/83/1306203983.db2.gz SILHXQDMFHKQJT-QGZVFWFLSA-N 2 1 338.499 3.087 20 0 EGADMP CC(C)(C)[C@@H]1CCC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790364164 1306308086 /nfs/dbraw/zinc/30/80/86/1306308086.db2.gz FAZCNVVRULTQOV-UZLBHIALSA-N 2 1 349.519 3.009 20 0 EGADMP COC(=O)CC[C@@H](CC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000895075045 1309182014 /nfs/dbraw/zinc/18/20/14/1309182014.db2.gz PIKRKXQVUGQZKM-QBUWPKIASA-N 2 1 336.520 3.493 20 0 EGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)NC2CC2)cc1 ZINC000895377176 1309304437 /nfs/dbraw/zinc/30/44/37/1309304437.db2.gz KJCOIYZMWNUYOK-UZLBHIALSA-N 2 1 343.515 3.131 20 0 EGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000895376715 1309304580 /nfs/dbraw/zinc/30/45/80/1309304580.db2.gz IPVLAWDOLOHSCB-MJGOQNOKSA-N 2 1 330.520 3.234 20 0 EGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000895376715 1309304587 /nfs/dbraw/zinc/30/45/87/1309304587.db2.gz IPVLAWDOLOHSCB-MJGOQNOKSA-N 2 1 330.520 3.234 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1-c1noc(C2([NH+](C)C)CC2)n1 ZINC000895984905 1309629335 /nfs/dbraw/zinc/62/93/35/1309629335.db2.gz BSMODHBDSUYUFX-UHFFFAOYSA-N 2 1 344.459 3.008 20 0 EGADMP CCC(CC)[C@@H](C[NH2+]C1CCN(C(=O)OCC(C)C)CC1)[NH+](C)C ZINC000796694874 1310066587 /nfs/dbraw/zinc/06/65/87/1310066587.db2.gz LEIVLHKSZGBZFU-GOSISDBHSA-N 2 1 341.540 3.199 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000897006825 1310132325 /nfs/dbraw/zinc/13/23/25/1310132325.db2.gz UUYPYGGNOBZTQR-IEBWSBKVSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000897006825 1310132331 /nfs/dbraw/zinc/13/23/31/1310132331.db2.gz UUYPYGGNOBZTQR-IEBWSBKVSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000897006825 1310132334 /nfs/dbraw/zinc/13/23/34/1310132334.db2.gz UUYPYGGNOBZTQR-IEBWSBKVSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000797111357 1310142728 /nfs/dbraw/zinc/14/27/28/1310142728.db2.gz BWMZWAMYNIWJCC-IKGGRYGDSA-N 2 1 339.524 3.144 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000797111357 1310142736 /nfs/dbraw/zinc/14/27/36/1310142736.db2.gz BWMZWAMYNIWJCC-IKGGRYGDSA-N 2 1 339.524 3.144 20 0 EGADMP C[NH+](C)CCCC(C)(C)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857278898 1328525823 /nfs/dbraw/zinc/52/58/23/1328525823.db2.gz XBBTWASISZVVLZ-LJQANCHMSA-N 2 1 345.531 3.346 20 0 EGADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857281345 1328526058 /nfs/dbraw/zinc/52/60/58/1328526058.db2.gz YFWPRTBNGPDWAT-PMACEKPBSA-N 2 1 343.515 3.052 20 0 EGADMP CC[C@H]1C[NH+](CC)CCN1C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857281345 1328526059 /nfs/dbraw/zinc/52/60/59/1328526059.db2.gz YFWPRTBNGPDWAT-PMACEKPBSA-N 2 1 343.515 3.052 20 0 EGADMP CC[C@H]1C[NH+](CC)CCN1C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857281345 1328526060 /nfs/dbraw/zinc/52/60/60/1328526060.db2.gz YFWPRTBNGPDWAT-PMACEKPBSA-N 2 1 343.515 3.052 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001019076130 1317035854 /nfs/dbraw/zinc/03/58/54/1317035854.db2.gz NAOWBNGVVVIXEZ-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001019274661 1317141059 /nfs/dbraw/zinc/14/10/59/1317141059.db2.gz JRIGSECWZHVAKF-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(CC)C1C[NH+](CC2CC(C)C2)C1 ZINC000957117913 1317196869 /nfs/dbraw/zinc/19/68/69/1317196869.db2.gz MDHPYPZADBDHHU-AFMYVXGZSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(CC)C1C[NH+](CCC(C)C)C1 ZINC000957118134 1317198423 /nfs/dbraw/zinc/19/84/23/1317198423.db2.gz XMKMAPRDSWFHOO-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(CC)C1C[NH+](CCC(C)C)C1 ZINC000957118134 1317198428 /nfs/dbraw/zinc/19/84/28/1317198428.db2.gz XMKMAPRDSWFHOO-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](C)[C@](C)(C(=O)N1CC[NH+](CCC(C)(C)C)CC1)c1ccccc1 ZINC000957288819 1317262556 /nfs/dbraw/zinc/26/25/56/1317262556.db2.gz BOGJENTXCJMTKE-NRFANRHFSA-N 2 1 345.531 3.044 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001019632228 1317311545 /nfs/dbraw/zinc/31/15/45/1317311545.db2.gz FNDZEZZZVKLNAB-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)c1 ZINC000900650591 1317318508 /nfs/dbraw/zinc/31/85/08/1317318508.db2.gz CRFBKBWZDRKBTB-VQTJNVASSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)c1 ZINC000900650591 1317318515 /nfs/dbraw/zinc/31/85/15/1317318515.db2.gz CRFBKBWZDRKBTB-VQTJNVASSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)c1 ZINC000900650591 1317318524 /nfs/dbraw/zinc/31/85/24/1317318524.db2.gz CRFBKBWZDRKBTB-VQTJNVASSA-N 2 1 343.515 3.160 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000957605728 1317492607 /nfs/dbraw/zinc/49/26/07/1317492607.db2.gz LAVZXYSXRUKHQA-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+](CC1=CCCCC1)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000957689376 1317557055 /nfs/dbraw/zinc/55/70/55/1317557055.db2.gz BAQSIZTVPPBCBS-FQEVSTJZSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+](CC1=CCCCC1)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000957689376 1317557059 /nfs/dbraw/zinc/55/70/59/1317557059.db2.gz BAQSIZTVPPBCBS-FQEVSTJZSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+](CC1=CCCCC1)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000957689376 1317557062 /nfs/dbraw/zinc/55/70/62/1317557062.db2.gz BAQSIZTVPPBCBS-FQEVSTJZSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1C[C@@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000902437500 1317578786 /nfs/dbraw/zinc/57/87/86/1317578786.db2.gz JOKYXKCCEHPLPQ-NTSGDEEZSA-N 2 1 335.495 3.254 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001020239121 1317603920 /nfs/dbraw/zinc/60/39/20/1317603920.db2.gz OYPUEEHOIPMAOD-PWKSQPCKSA-N 2 1 349.563 3.312 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC(C[NH+](CC)C(C)C)CC2)C1 ZINC000957744361 1317609157 /nfs/dbraw/zinc/60/91/57/1317609157.db2.gz GZIYXMFKGIXNOK-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC(C[N@H+](CC)C(C)C)CC2)C1 ZINC000957744361 1317609164 /nfs/dbraw/zinc/60/91/64/1317609164.db2.gz GZIYXMFKGIXNOK-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC(C[N@@H+](CC)C(C)C)CC2)C1 ZINC000957744361 1317609172 /nfs/dbraw/zinc/60/91/72/1317609172.db2.gz GZIYXMFKGIXNOK-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cn(C)nn1 ZINC000902747840 1317613001 /nfs/dbraw/zinc/61/30/01/1317613001.db2.gz XZRGSXCRVMTSHD-CVEARBPZSA-N 2 1 327.476 3.040 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cn(C)nn1 ZINC000902747840 1317613006 /nfs/dbraw/zinc/61/30/06/1317613006.db2.gz XZRGSXCRVMTSHD-CVEARBPZSA-N 2 1 327.476 3.040 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001020302881 1317636156 /nfs/dbraw/zinc/63/61/56/1317636156.db2.gz WHEPBKGVUORXKD-FHWLQOOXSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc3c(s1)CCC3)C2 ZINC000903115711 1317655474 /nfs/dbraw/zinc/65/54/74/1317655474.db2.gz NZOBCDSHIKQAHM-XFUZISPGSA-N 2 1 348.556 3.367 20 0 EGADMP C[NH+](C)CCOc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903143093 1317662239 /nfs/dbraw/zinc/66/22/39/1317662239.db2.gz TXTWUNCJKRWVCV-JLYLLQBASA-N 2 1 329.488 3.197 20 0 EGADMP CC(C)(C)OC(=O)C(C)(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903192105 1317669502 /nfs/dbraw/zinc/66/95/02/1317669502.db2.gz IMNJASNVRWBQAH-ZXFUBFMLSA-N 2 1 336.520 3.492 20 0 EGADMP Brc1cncc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000903565687 1317707854 /nfs/dbraw/zinc/70/78/54/1317707854.db2.gz BOOZISWBSIOLMC-CJNGLKHVSA-N 2 1 338.293 3.371 20 0 EGADMP Fc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1F ZINC000903728758 1317726132 /nfs/dbraw/zinc/72/61/32/1317726132.db2.gz GGBZMHJNGDWQON-MAUKXSAKSA-N 2 1 336.426 3.260 20 0 EGADMP Fc1ccc(C[N@@H+](CC2CC2)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903729697 1317727302 /nfs/dbraw/zinc/72/73/02/1317727302.db2.gz QSDBPKPUTCKKPR-IBGZPJMESA-N 2 1 332.463 3.196 20 0 EGADMP Clc1ccc([C@H]2CC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903729434 1317727347 /nfs/dbraw/zinc/72/73/47/1317727347.db2.gz MUTSFFSDVUOIJW-FUHWJXTLSA-N 2 1 334.891 3.288 20 0 EGADMP C[C@@H](c1nc2ccccc2s1)[N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733896 1317727419 /nfs/dbraw/zinc/72/74/19/1317727419.db2.gz SDOYEEHOWBKYSM-GJZGRUSLSA-N 2 1 345.512 3.448 20 0 EGADMP C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733896 1317727424 /nfs/dbraw/zinc/72/74/24/1317727424.db2.gz SDOYEEHOWBKYSM-GJZGRUSLSA-N 2 1 345.512 3.448 20 0 EGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2F)CCC1 ZINC000903816325 1317737981 /nfs/dbraw/zinc/73/79/81/1317737981.db2.gz YEFOIWWXONCHLD-KRWDZBQOSA-N 2 1 333.451 3.138 20 0 EGADMP COc1cc2c(cc1F)C[N@H+](Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000903917265 1317749085 /nfs/dbraw/zinc/74/90/85/1317749085.db2.gz XWKQDSKZLQYEQT-UHFFFAOYSA-N 2 1 326.415 3.038 20 0 EGADMP COc1cc2c(cc1F)C[N@@H+](Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000903917265 1317749095 /nfs/dbraw/zinc/74/90/95/1317749095.db2.gz XWKQDSKZLQYEQT-UHFFFAOYSA-N 2 1 326.415 3.038 20 0 EGADMP CN(C)c1ccc(N2CCC([NH2+]C[C@H]3CCCC[N@@H+](C)C3)CC2)cc1 ZINC000858245270 1328721221 /nfs/dbraw/zinc/72/12/21/1328721221.db2.gz FYDGSIMLQZBFDD-GOSISDBHSA-N 3 1 344.547 3.043 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(-c2noc([C@@H]3CCCCC[C@@H]3[NH3+])n2)cn1 ZINC000904092459 1317787384 /nfs/dbraw/zinc/78/73/84/1317787384.db2.gz KLSSRCKPTGNPEX-CABCVRRESA-N 2 1 338.415 3.001 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)c1cccc(Cl)c1 ZINC001020586110 1317791226 /nfs/dbraw/zinc/79/12/26/1317791226.db2.gz FOXZIQOEFMWLOQ-LTCOOKNTSA-N 2 1 349.906 3.122 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001020660818 1317841710 /nfs/dbraw/zinc/84/17/10/1317841710.db2.gz HTJKYTKIXICFDT-KBAYOESNSA-N 2 1 340.471 3.005 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904405498 1317843109 /nfs/dbraw/zinc/84/31/09/1317843109.db2.gz MCRLQOJNQOCZEM-HNNXBMFYSA-N 2 1 332.879 3.313 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406688 1317843289 /nfs/dbraw/zinc/84/32/89/1317843289.db2.gz YLUCIZDLUQTCDD-INIZCTEOSA-N 2 1 326.488 3.341 20 0 EGADMP CC[C@H](C)C[C@H]([NH3+])c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000904552195 1317862255 /nfs/dbraw/zinc/86/22/55/1317862255.db2.gz NINFJWAJYDPIJU-BBRMVZONSA-N 2 1 332.448 3.113 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001020719591 1317885486 /nfs/dbraw/zinc/88/54/86/1317885486.db2.gz MUAOQQUTKOJGDC-MUGJNUQGSA-N 2 1 347.547 3.211 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001020719699 1317886047 /nfs/dbraw/zinc/88/60/47/1317886047.db2.gz PEWJCOVMZPRDHW-WTGUMLROSA-N 2 1 345.531 3.131 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001021089958 1318078265 /nfs/dbraw/zinc/07/82/65/1318078265.db2.gz DODTWLYYKISGJC-YOQCTACHSA-N 2 1 335.536 3.066 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001021380490 1318223245 /nfs/dbraw/zinc/22/32/45/1318223245.db2.gz IJIYGVUXBHXSTI-OHSMVPPVSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001021380490 1318223252 /nfs/dbraw/zinc/22/32/52/1318223252.db2.gz IJIYGVUXBHXSTI-OHSMVPPVSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001021399214 1318232872 /nfs/dbraw/zinc/23/28/72/1318232872.db2.gz DVFPWALMCODWBT-NXEWRWPSSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001021399214 1318232875 /nfs/dbraw/zinc/23/28/75/1318232875.db2.gz DVFPWALMCODWBT-NXEWRWPSSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001021399214 1318232879 /nfs/dbraw/zinc/23/28/79/1318232879.db2.gz DVFPWALMCODWBT-NXEWRWPSSA-N 2 1 347.547 3.161 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858426627 1328759483 /nfs/dbraw/zinc/75/94/83/1328759483.db2.gz SBUVNKCEAMODQL-AWEZNQCLSA-N 2 1 331.847 3.111 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682132 1318552777 /nfs/dbraw/zinc/55/27/77/1318552777.db2.gz NKTYUHDKCPJALH-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682132 1318552783 /nfs/dbraw/zinc/55/27/83/1318552783.db2.gz NKTYUHDKCPJALH-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700567 1318572593 /nfs/dbraw/zinc/57/25/93/1318572593.db2.gz RGDDEKDFXVTDPE-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)[C@H](C)C1 ZINC000910281985 1318594714 /nfs/dbraw/zinc/59/47/14/1318594714.db2.gz OQSPASWFQJIKNY-OAHLLOKOSA-N 2 1 343.471 3.051 20 0 EGADMP C[NH+](C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C)CC1CCC(C)(C)CC1 ZINC000960485716 1318596813 /nfs/dbraw/zinc/59/68/13/1318596813.db2.gz FGCNDPXLRUPKNZ-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C)CC1CCC(C)(C)CC1 ZINC000960485716 1318596820 /nfs/dbraw/zinc/59/68/20/1318596820.db2.gz FGCNDPXLRUPKNZ-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C)CC1CCC(C)(C)CC1 ZINC000960485718 1318597163 /nfs/dbraw/zinc/59/71/63/1318597163.db2.gz FGCNDPXLRUPKNZ-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)CC1CCC(C)(C)CC1 ZINC000960485718 1318597168 /nfs/dbraw/zinc/59/71/68/1318597168.db2.gz FGCNDPXLRUPKNZ-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739202 1318648241 /nfs/dbraw/zinc/64/82/41/1318648241.db2.gz HJXVOLRJDVRZPB-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739200 1318648380 /nfs/dbraw/zinc/64/83/80/1318648380.db2.gz HJXVOLRJDVRZPB-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]1C[NH+](C)CC1CCCC1 ZINC000960687262 1318793002 /nfs/dbraw/zinc/79/30/02/1318793002.db2.gz ZKOFKMQANSQIJN-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1 ZINC000960687262 1318793007 /nfs/dbraw/zinc/79/30/07/1318793007.db2.gz ZKOFKMQANSQIJN-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC000960687262 1318793008 /nfs/dbraw/zinc/79/30/08/1318793008.db2.gz ZKOFKMQANSQIJN-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3ccccc3C)C2)CC[N@H+]1C ZINC001022109200 1318796954 /nfs/dbraw/zinc/79/69/54/1318796954.db2.gz JOYXPFPPVLFSSD-NLPMXTIOSA-N 2 1 343.515 3.023 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001022195703 1318837832 /nfs/dbraw/zinc/83/78/32/1318837832.db2.gz GQDPLBFZWILYND-AQNXPRMDSA-N 2 1 349.563 3.172 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001022293716 1318881472 /nfs/dbraw/zinc/88/14/72/1318881472.db2.gz WHEPBKGVUORXKD-OTWHNJEPSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCCC1 ZINC000960865323 1319011520 /nfs/dbraw/zinc/01/15/20/1319011520.db2.gz PUMIBBMILMWMPY-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCCC1 ZINC000960865323 1319011531 /nfs/dbraw/zinc/01/15/31/1319011531.db2.gz PUMIBBMILMWMPY-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)cc1 ZINC001022711596 1319079618 /nfs/dbraw/zinc/07/96/18/1319079618.db2.gz BTTJULUDPOIUDZ-FFZOFVMBSA-N 2 1 343.515 3.031 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCC2)c1 ZINC000961029780 1319153449 /nfs/dbraw/zinc/15/34/49/1319153449.db2.gz YPVARBJLEMCPSH-FQEVSTJZSA-N 2 1 343.515 3.085 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC000961033374 1319158135 /nfs/dbraw/zinc/15/81/35/1319158135.db2.gz ZDHUEVJIXAXPHV-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001022958260 1319187521 /nfs/dbraw/zinc/18/75/21/1319187521.db2.gz HPGKLEYUVWKHOA-CEXWTWQISA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC000961192521 1319307674 /nfs/dbraw/zinc/30/76/74/1319307674.db2.gz ZOHLDKGRUVUHDB-ZWKOTPCHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC000961192521 1319307681 /nfs/dbraw/zinc/30/76/81/1319307681.db2.gz ZOHLDKGRUVUHDB-ZWKOTPCHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC000961192521 1319307692 /nfs/dbraw/zinc/30/76/92/1319307692.db2.gz ZOHLDKGRUVUHDB-ZWKOTPCHSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1c[nH+]ccc1N ZINC000817896608 1319454888 /nfs/dbraw/zinc/45/48/88/1319454888.db2.gz LWLBYAIPNMMYJB-RFAUZJTJSA-N 2 1 326.227 3.185 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCc2cn(C(C)C)nc21 ZINC000817922880 1319461487 /nfs/dbraw/zinc/46/14/87/1319461487.db2.gz NPSBPASETHELJU-KBXCAEBGSA-N 2 1 327.476 3.354 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950431 1319475558 /nfs/dbraw/zinc/47/55/58/1319475558.db2.gz YEIBLXJKWJXANI-XMSQKQJNSA-N 3 1 337.511 3.188 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950431 1319475561 /nfs/dbraw/zinc/47/55/61/1319475561.db2.gz YEIBLXJKWJXANI-XMSQKQJNSA-N 2 1 337.511 3.188 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023365058 1319476448 /nfs/dbraw/zinc/47/64/48/1319476448.db2.gz VXFWZXKGFJRPAS-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001023365058 1319476453 /nfs/dbraw/zinc/47/64/53/1319476453.db2.gz VXFWZXKGFJRPAS-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001023365058 1319476460 /nfs/dbraw/zinc/47/64/60/1319476460.db2.gz VXFWZXKGFJRPAS-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1nc(Br)cs1 ZINC000817967702 1319480938 /nfs/dbraw/zinc/48/09/38/1319480938.db2.gz BBHJMPUIOOBUTA-SECBINFHSA-N 2 1 338.274 3.360 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC(CC)CC)C1 ZINC001023402984 1319509670 /nfs/dbraw/zinc/50/96/70/1319509670.db2.gz XXTDEEGKUIZLSQ-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC(CC)CC)C1 ZINC001023402984 1319509677 /nfs/dbraw/zinc/50/96/77/1319509677.db2.gz XXTDEEGKUIZLSQ-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(CC)CC)C1 ZINC001023402984 1319509687 /nfs/dbraw/zinc/50/96/87/1319509687.db2.gz XXTDEEGKUIZLSQ-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023414245 1319518113 /nfs/dbraw/zinc/51/81/13/1319518113.db2.gz ONORYYPIFLCBIH-QZTJIDSGSA-N 2 1 346.519 3.025 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023414245 1319518120 /nfs/dbraw/zinc/51/81/20/1319518120.db2.gz ONORYYPIFLCBIH-QZTJIDSGSA-N 2 1 346.519 3.025 20 0 EGADMP CC[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+](CCC3CC3)C2)CC1)[NH+](C)C ZINC000961376074 1319533361 /nfs/dbraw/zinc/53/33/61/1319533361.db2.gz CJGPUIVZINIHFF-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001023445756 1319544817 /nfs/dbraw/zinc/54/48/17/1319544817.db2.gz AOPSJTLYFHMOQV-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001023445756 1319544824 /nfs/dbraw/zinc/54/48/24/1319544824.db2.gz AOPSJTLYFHMOQV-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001023445756 1319544829 /nfs/dbraw/zinc/54/48/29/1319544829.db2.gz AOPSJTLYFHMOQV-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000818959909 1319590507 /nfs/dbraw/zinc/59/05/07/1319590507.db2.gz VSCVIXJSIRTBLW-KBXCAEBGSA-N 2 1 326.431 3.100 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000818961181 1319591923 /nfs/dbraw/zinc/59/19/23/1319591923.db2.gz NYGOZFQDOLSSIV-KHYOSLBOSA-N 2 1 340.458 3.346 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489899 1319595703 /nfs/dbraw/zinc/59/57/03/1319595703.db2.gz NNQPBZXUZKXWTL-MRXNPFEDSA-N 2 1 342.487 3.212 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000818985890 1319605176 /nfs/dbraw/zinc/60/51/76/1319605176.db2.gz ZIBFGGHSSCMZHJ-DYVFJYSZSA-N 2 1 328.859 3.223 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000819151779 1319649945 /nfs/dbraw/zinc/64/99/45/1319649945.db2.gz DZUZEAQSQKBKHH-RHSMWYFYSA-N 2 1 344.421 3.306 20 0 EGADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000819275181 1319686902 /nfs/dbraw/zinc/68/69/02/1319686902.db2.gz RPSAUPZAIGBWNM-YLJYHZDGSA-N 2 1 344.886 3.485 20 0 EGADMP C[C@@]1(C[NH2+]C[C@H](O)Cc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000819283396 1319688028 /nfs/dbraw/zinc/68/80/28/1319688028.db2.gz JXRJRYKQABQGLR-YADHBBJMSA-N 2 1 338.495 3.092 20 0 EGADMP C[C@]1(C[NH2+]C[C@H](O)Cc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000819283394 1319688277 /nfs/dbraw/zinc/68/82/77/1319688277.db2.gz JXRJRYKQABQGLR-FGZHOGPDSA-N 2 1 338.495 3.092 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646220 1319766258 /nfs/dbraw/zinc/76/62/58/1319766258.db2.gz KEYTZQQZXXMUIY-IEBWSBKVSA-N 2 1 345.531 3.236 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC000961923819 1319774921 /nfs/dbraw/zinc/77/49/21/1319774921.db2.gz ISJAILOFQVBOGN-SOAGJPPSSA-N 2 1 349.563 3.314 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001023695445 1319821003 /nfs/dbraw/zinc/82/10/03/1319821003.db2.gz BASULCWULZYDBP-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001023695445 1319821009 /nfs/dbraw/zinc/82/10/09/1319821009.db2.gz BASULCWULZYDBP-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001023695445 1319821015 /nfs/dbraw/zinc/82/10/15/1319821015.db2.gz BASULCWULZYDBP-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761517 1319907264 /nfs/dbraw/zinc/90/72/64/1319907264.db2.gz BPPXTUGPTDCRHC-MJGOQNOKSA-N 2 1 345.531 3.236 20 0 EGADMP O=C1CCCN1c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000820807594 1319957307 /nfs/dbraw/zinc/95/73/07/1319957307.db2.gz MDQLTTJIRKVGEG-XGSMCBPESA-N 2 1 339.483 3.061 20 0 EGADMP O=C1CCCN1c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000820807594 1319957315 /nfs/dbraw/zinc/95/73/15/1319957315.db2.gz MDQLTTJIRKVGEG-XGSMCBPESA-N 2 1 339.483 3.061 20 0 EGADMP CC1(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)OCCO1 ZINC000820841959 1319967298 /nfs/dbraw/zinc/96/72/98/1319967298.db2.gz RCWKVBAKEIFWOM-IHWFROFDSA-N 2 1 344.499 3.315 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823630701 1320193363 /nfs/dbraw/zinc/19/33/63/1320193363.db2.gz RYBQXSGADGKAGP-IRXDYDNUSA-N 2 1 341.540 3.342 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(C2CC2)nn1C ZINC000823961117 1320218691 /nfs/dbraw/zinc/21/86/91/1320218691.db2.gz LVLNIALXWHOWLL-JXFKEZNVSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(C2CC2)nn1C ZINC000823961117 1320218697 /nfs/dbraw/zinc/21/86/97/1320218697.db2.gz LVLNIALXWHOWLL-JXFKEZNVSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(C2CC2)nn1C ZINC000823961117 1320218702 /nfs/dbraw/zinc/21/87/02/1320218702.db2.gz LVLNIALXWHOWLL-JXFKEZNVSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824119356 1320230320 /nfs/dbraw/zinc/23/03/20/1320230320.db2.gz HHDFPJQWRLEURK-VQIMIIECSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824119356 1320230322 /nfs/dbraw/zinc/23/03/22/1320230322.db2.gz HHDFPJQWRLEURK-VQIMIIECSA-N 2 1 338.499 3.298 20 0 EGADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(C[NH+]2CCCCC2)o1 ZINC000824366003 1320251059 /nfs/dbraw/zinc/25/10/59/1320251059.db2.gz GIGWUILISPWYTQ-ZWKOTPCHSA-N 2 1 345.487 3.012 20 0 EGADMP c1cc(C[N@H+]2CCCC3(C2)OCCO3)ccc1C[NH+]1CCCCC1 ZINC000839524355 1320932405 /nfs/dbraw/zinc/93/24/05/1320932405.db2.gz GWBNVOLSAJGXMN-UHFFFAOYSA-N 2 1 330.472 3.011 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC(=O)CC ZINC000840882382 1321169157 /nfs/dbraw/zinc/16/91/57/1321169157.db2.gz VCOQIXRWYQSIES-IAGOWNOFSA-N 2 1 346.471 3.117 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC(=O)CC ZINC000840882382 1321169162 /nfs/dbraw/zinc/16/91/62/1321169162.db2.gz VCOQIXRWYQSIES-IAGOWNOFSA-N 2 1 346.471 3.117 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC000840939412 1321182063 /nfs/dbraw/zinc/18/20/63/1321182063.db2.gz MKOVKVVFQBFOMP-HMXCVIKNSA-N 2 1 336.483 3.175 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC000840939412 1321182067 /nfs/dbraw/zinc/18/20/67/1321182067.db2.gz MKOVKVVFQBFOMP-HMXCVIKNSA-N 2 1 336.483 3.175 20 0 EGADMP C[C@H]1C[C@H](C[N@@H+]2CCc3cc(Br)cc(F)c3C2)CC[NH2+]1 ZINC000841021555 1321202099 /nfs/dbraw/zinc/20/20/99/1321202099.db2.gz XVMBQWKKLKYZBY-NWDGAFQWSA-N 2 1 341.268 3.334 20 0 EGADMP C[C@H]1C[C@H](C[N@H+]2CCc3cc(Br)cc(F)c3C2)CC[NH2+]1 ZINC000841021555 1321202102 /nfs/dbraw/zinc/20/21/02/1321202102.db2.gz XVMBQWKKLKYZBY-NWDGAFQWSA-N 2 1 341.268 3.334 20 0 EGADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843055553 1321463085 /nfs/dbraw/zinc/46/30/85/1321463085.db2.gz GYGPGOXIVLAUCX-UHFFFAOYSA-N 2 1 340.393 3.294 20 0 EGADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)c(Cl)nc21 ZINC000843112068 1321472263 /nfs/dbraw/zinc/47/22/63/1321472263.db2.gz DAKUQUYBSUVWDV-ZDUSSCGKSA-N 2 1 335.883 3.226 20 0 EGADMP CCCCn1nc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1Cl ZINC000843125702 1321473007 /nfs/dbraw/zinc/47/30/07/1321473007.db2.gz FTVVPFUYEIVBMH-CVEARBPZSA-N 2 1 338.927 3.467 20 0 EGADMP CCc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)c2cc1Cl ZINC000843365436 1321506892 /nfs/dbraw/zinc/50/68/92/1321506892.db2.gz IEFKOUQUTIHNMP-DGCLKSJQSA-N 2 1 334.847 3.178 20 0 EGADMP CCc1cc2oc(=O)cc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)c2cc1Cl ZINC000843365436 1321506898 /nfs/dbraw/zinc/50/68/98/1321506898.db2.gz IEFKOUQUTIHNMP-DGCLKSJQSA-N 2 1 334.847 3.178 20 0 EGADMP CCc1cc2oc(=O)cc(C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)c2cc1Cl ZINC000843362330 1321507217 /nfs/dbraw/zinc/50/72/17/1321507217.db2.gz DRJOIYYJNGVUNI-RYUDHWBXSA-N 2 1 334.847 3.178 20 0 EGADMP CCc1cc2oc(=O)cc(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)c2cc1Cl ZINC000843362330 1321507221 /nfs/dbraw/zinc/50/72/21/1321507221.db2.gz DRJOIYYJNGVUNI-RYUDHWBXSA-N 2 1 334.847 3.178 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000843377830 1321508544 /nfs/dbraw/zinc/50/85/44/1321508544.db2.gz NYRAHAUGIAWHEL-KRWDZBQOSA-N 2 1 337.467 3.353 20 0 EGADMP Cc1noc(C)c1C[NH+](CCCCCC[NH3+])Cc1c(C)noc1C ZINC000846218994 1321777456 /nfs/dbraw/zinc/77/74/56/1321777456.db2.gz BXFSAPQFKLYEPV-UHFFFAOYSA-N 2 1 334.464 3.418 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000846219380 1321777480 /nfs/dbraw/zinc/77/74/80/1321777480.db2.gz PORCTQUGJMMQPH-KRWDZBQOSA-N 2 1 343.471 3.146 20 0 EGADMP CC(C)C[N@H+](CCCc1c[nH+]cn1C)C[C@@H](O)c1ccc(F)cc1 ZINC000846807990 1321810362 /nfs/dbraw/zinc/81/03/62/1321810362.db2.gz YAHGDSIMCLFAHT-LJQANCHMSA-N 2 1 333.451 3.183 20 0 EGADMP CC(C)C[N@@H+](CCCc1c[nH+]cn1C)C[C@@H](O)c1ccc(F)cc1 ZINC000846807990 1321810367 /nfs/dbraw/zinc/81/03/67/1321810367.db2.gz YAHGDSIMCLFAHT-LJQANCHMSA-N 2 1 333.451 3.183 20 0 EGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000848541325 1321972382 /nfs/dbraw/zinc/97/23/82/1321972382.db2.gz WVEOHTYPFODUFP-UYAOXDASSA-N 2 1 326.488 3.452 20 0 EGADMP COC(=O)/C=C\c1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)o1 ZINC000848882194 1322028025 /nfs/dbraw/zinc/02/80/25/1322028025.db2.gz MOWNCVFACGIVCO-FPLPWBNLSA-N 2 1 334.460 3.018 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)c1cccc(OC)c1 ZINC000849053797 1322059490 /nfs/dbraw/zinc/05/94/90/1322059490.db2.gz JDSHHXRRMCBARV-VQIMIIECSA-N 2 1 346.519 3.334 20 0 EGADMP CCOc1ccc(OCC)c(NC(=[NH2+])NCCC[N@@H+](C)C(C)C)c1 ZINC000849060993 1322062682 /nfs/dbraw/zinc/06/26/82/1322062682.db2.gz ZRSPRIBGIICLRS-UHFFFAOYSA-N 2 1 336.480 3.151 20 0 EGADMP CC1CCN(C(=[NH2+])NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000849075604 1322067348 /nfs/dbraw/zinc/06/73/48/1322067348.db2.gz IJCOOTCSWUMFDU-HXUWFJFHSA-N 2 1 328.504 3.155 20 0 EGADMP C[C@H](CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)[N@@H+](C)C1CC1 ZINC000849083759 1322072405 /nfs/dbraw/zinc/07/24/05/1322072405.db2.gz HRCCYRFJYARKOL-SNVBAGLBSA-N 2 1 330.354 3.004 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000849097275 1322077417 /nfs/dbraw/zinc/07/74/17/1322077417.db2.gz LLLDYEZYWFARBE-FFZOFVMBSA-N 2 1 336.483 3.294 20 0 EGADMP C[N@H+]1CCC[C@@H](CCNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)C1 ZINC000849116078 1322084265 /nfs/dbraw/zinc/08/42/65/1322084265.db2.gz JSPVJPZXSYDCRR-LBPRGKRZSA-N 2 1 344.381 3.253 20 0 EGADMP COc1cncc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000850101368 1322192368 /nfs/dbraw/zinc/19/23/68/1322192368.db2.gz JOPSDPOCQZWNFO-HNNXBMFYSA-N 2 1 331.485 3.154 20 0 EGADMP COc1cncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000850101368 1322192370 /nfs/dbraw/zinc/19/23/70/1322192370.db2.gz JOPSDPOCQZWNFO-HNNXBMFYSA-N 2 1 331.485 3.154 20 0 EGADMP Cc1[nH+]cc(CNc2ccc(OCC[NH+]3CCCCC3)cc2)n1C ZINC000850195035 1322205170 /nfs/dbraw/zinc/20/51/70/1322205170.db2.gz VVUOPNOOYAHNIY-UHFFFAOYSA-N 2 1 328.460 3.205 20 0 EGADMP CS[C@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000921730546 1322386720 /nfs/dbraw/zinc/38/67/20/1322386720.db2.gz XQLKTUXEVCUHBT-IRXDYDNUSA-N 2 1 326.550 3.285 20 0 EGADMP CC(C)c1cccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000922388879 1322515931 /nfs/dbraw/zinc/51/59/31/1322515931.db2.gz GRYMFFDEEMUCSN-NCYKPQTJSA-N 2 1 330.516 3.379 20 0 EGADMP CCCc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000922389605 1322515979 /nfs/dbraw/zinc/51/59/79/1322515979.db2.gz UQKHCHIFLOULQQ-CGXNFDGLSA-N 2 1 330.516 3.208 20 0 EGADMP CC(C)(C)c1csc([C@@H]2CCCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923323511 1322734008 /nfs/dbraw/zinc/73/40/08/1322734008.db2.gz HMYOSFWRVXWOEQ-GJZGRUSLSA-N 2 1 349.544 3.346 20 0 EGADMP CC(C)(C)c1csc([C@@H]2CCCC[N@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923323511 1322734012 /nfs/dbraw/zinc/73/40/12/1322734012.db2.gz HMYOSFWRVXWOEQ-GJZGRUSLSA-N 2 1 349.544 3.346 20 0 EGADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000923491337 1322760762 /nfs/dbraw/zinc/76/07/62/1322760762.db2.gz IANAHCOTHJTEDY-MRXNPFEDSA-N 2 1 339.439 3.088 20 0 EGADMP c1ccc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]CC4)CC3)n2)cc1 ZINC000923503571 1322764504 /nfs/dbraw/zinc/76/45/04/1322764504.db2.gz MQCSSTFURSZKHT-MRXNPFEDSA-N 2 1 340.471 3.338 20 0 EGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001024019232 1323080593 /nfs/dbraw/zinc/08/05/93/1323080593.db2.gz WQQHWAVZXFBUSA-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001024023704 1323081899 /nfs/dbraw/zinc/08/18/99/1323081899.db2.gz OEOPKHLOSHTGCK-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP COCCOc1ccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)cc1 ZINC000924657104 1323097403 /nfs/dbraw/zinc/09/74/03/1323097403.db2.gz HLQCDAPLCOFORV-UHFFFAOYSA-N 2 1 334.504 3.312 20 0 EGADMP C[C@H](Cc1ccccn1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000924778603 1323159902 /nfs/dbraw/zinc/15/99/02/1323159902.db2.gz VCHVAMVJDWDKPB-MSOLQXFVSA-N 2 1 339.483 3.023 20 0 EGADMP C[C@H](Cc1ccccn1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000924778603 1323159903 /nfs/dbraw/zinc/15/99/03/1323159903.db2.gz VCHVAMVJDWDKPB-MSOLQXFVSA-N 2 1 339.483 3.023 20 0 EGADMP COc1ccnc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000924938373 1323221667 /nfs/dbraw/zinc/22/16/67/1323221667.db2.gz LEXQSCQOHCKHLE-MJGOQNOKSA-N 2 1 339.483 3.305 20 0 EGADMP COc1ccnc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000924938373 1323221675 /nfs/dbraw/zinc/22/16/75/1323221675.db2.gz LEXQSCQOHCKHLE-MJGOQNOKSA-N 2 1 339.483 3.305 20 0 EGADMP Cc1ccccc1C[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccco1 ZINC000924995165 1323239234 /nfs/dbraw/zinc/23/92/34/1323239234.db2.gz XTEZOOSPWKWNNW-ICSRJNTNSA-N 2 1 341.499 3.097 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024278204 1323256924 /nfs/dbraw/zinc/25/69/24/1323256924.db2.gz GWIWPETWSQSSAU-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024439535 1323402210 /nfs/dbraw/zinc/40/22/10/1323402210.db2.gz BIWFJZSYWFADCA-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024439535 1323402217 /nfs/dbraw/zinc/40/22/17/1323402217.db2.gz BIWFJZSYWFADCA-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024439535 1323402221 /nfs/dbraw/zinc/40/22/21/1323402221.db2.gz BIWFJZSYWFADCA-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC(CC)CC ZINC001024469718 1323424986 /nfs/dbraw/zinc/42/49/86/1323424986.db2.gz VZOPDYZDOMHSGD-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC(CC)CC ZINC001024469718 1323424989 /nfs/dbraw/zinc/42/49/89/1323424989.db2.gz VZOPDYZDOMHSGD-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC(CC)CC ZINC001024469718 1323424994 /nfs/dbraw/zinc/42/49/94/1323424994.db2.gz VZOPDYZDOMHSGD-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024480001 1323432531 /nfs/dbraw/zinc/43/25/31/1323432531.db2.gz WHBNYSMUFJWQPS-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024480001 1323432536 /nfs/dbraw/zinc/43/25/36/1323432536.db2.gz WHBNYSMUFJWQPS-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024480001 1323432541 /nfs/dbraw/zinc/43/25/41/1323432541.db2.gz WHBNYSMUFJWQPS-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024522074 1323471448 /nfs/dbraw/zinc/47/14/48/1323471448.db2.gz ZBQQBYBWJGZFKS-INIZCTEOSA-N 2 1 328.460 3.027 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2=CCCCC2)CC[N@H+]1C ZINC001024619692 1323546652 /nfs/dbraw/zinc/54/66/52/1323546652.db2.gz AMKJZMMZNGWSPM-IHPCNDPISA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC2=CCCCC2)CC[NH+]1C ZINC001024619692 1323546654 /nfs/dbraw/zinc/54/66/54/1323546654.db2.gz AMKJZMMZNGWSPM-IHPCNDPISA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC2=CCCCC2)CC[NH+]1C ZINC001024619692 1323546659 /nfs/dbraw/zinc/54/66/59/1323546659.db2.gz AMKJZMMZNGWSPM-IHPCNDPISA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001024692600 1323609781 /nfs/dbraw/zinc/60/97/81/1323609781.db2.gz PJRAUZKPJIGZGQ-MOPGFXCFSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024692600 1323609790 /nfs/dbraw/zinc/60/97/90/1323609790.db2.gz PJRAUZKPJIGZGQ-MOPGFXCFSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024692600 1323609794 /nfs/dbraw/zinc/60/97/94/1323609794.db2.gz PJRAUZKPJIGZGQ-MOPGFXCFSA-N 2 1 335.536 3.186 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C/C=C/Cl)cc1 ZINC001024711847 1323618132 /nfs/dbraw/zinc/61/81/32/1323618132.db2.gz MJHNHBWYAFJJQC-HNDWGLKSSA-N 2 1 349.906 3.085 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2C/C=C/Cl)cc1 ZINC001024711847 1323618141 /nfs/dbraw/zinc/61/81/41/1323618141.db2.gz MJHNHBWYAFJJQC-HNDWGLKSSA-N 2 1 349.906 3.085 20 0 EGADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001024963332 1323803428 /nfs/dbraw/zinc/80/34/28/1323803428.db2.gz MSPHYPBEEHGJEY-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(Cc3coc(-c4ccc(Cl)cc4)n3)C[C@@H]2C1 ZINC000931431773 1329116197 /nfs/dbraw/zinc/11/61/97/1329116197.db2.gz NWNNBNMXTWPNKN-CABCVRRESA-N 2 1 331.847 3.379 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3coc(-c4ccc(Cl)cc4)n3)C[C@@H]2C1 ZINC000931431773 1329116200 /nfs/dbraw/zinc/11/62/00/1329116200.db2.gz NWNNBNMXTWPNKN-CABCVRRESA-N 2 1 331.847 3.379 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3coc(-c4ccc(Cl)cc4)n3)C[C@@H]2C1 ZINC000931431773 1329116203 /nfs/dbraw/zinc/11/62/03/1329116203.db2.gz NWNNBNMXTWPNKN-CABCVRRESA-N 2 1 331.847 3.379 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C[C@@H]2C1 ZINC000931431773 1329116206 /nfs/dbraw/zinc/11/62/06/1329116206.db2.gz NWNNBNMXTWPNKN-CABCVRRESA-N 2 1 331.847 3.379 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C[C@@H]2C1 ZINC000931431773 1329116208 /nfs/dbraw/zinc/11/62/08/1329116208.db2.gz NWNNBNMXTWPNKN-CABCVRRESA-N 2 1 331.847 3.379 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(Cc3coc(-c4c(F)cccc4F)n3)C[C@@H]2C1 ZINC000931440729 1329118310 /nfs/dbraw/zinc/11/83/10/1329118310.db2.gz XZXHBEOBZWSPJE-OLZOCXBDSA-N 2 1 333.382 3.003 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001025105500 1323898657 /nfs/dbraw/zinc/89/86/57/1323898657.db2.gz WHPAGSOWVNSMTA-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](c1cc(Cl)ccc1Cl)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931482374 1329127984 /nfs/dbraw/zinc/12/79/84/1329127984.db2.gz GAJZMBKAWBTEJI-LBPRGKRZSA-N 2 1 331.287 3.443 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025273920 1324090345 /nfs/dbraw/zinc/09/03/45/1324090345.db2.gz IEWLJGIQIILSFS-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025287061 1324108478 /nfs/dbraw/zinc/10/84/78/1324108478.db2.gz BTEKMHTUPIFIEL-MOPGFXCFSA-N 2 1 344.503 3.017 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025287061 1324108481 /nfs/dbraw/zinc/10/84/81/1324108481.db2.gz BTEKMHTUPIFIEL-MOPGFXCFSA-N 2 1 344.503 3.017 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000963351375 1325144400 /nfs/dbraw/zinc/14/44/00/1325144400.db2.gz HKOUVDKVAXYVDS-AEFFLSMTSA-N 2 1 347.503 3.068 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925438333 1325150548 /nfs/dbraw/zinc/15/05/48/1325150548.db2.gz XIELEGGXODCMKW-KSZLIROESA-N 2 1 348.531 3.454 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC001027015064 1325155190 /nfs/dbraw/zinc/15/51/90/1325155190.db2.gz XOUXRVQEHXJZOY-UXHICEINSA-N 2 1 347.547 3.047 20 0 EGADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@H](C[NH2+]CC2CCC2)C1 ZINC001027017673 1325157538 /nfs/dbraw/zinc/15/75/38/1325157538.db2.gz ZJOSOESIDRBTPN-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@H](C[NH2+]CC2CCC2)C1 ZINC001027017674 1325157704 /nfs/dbraw/zinc/15/77/04/1325157704.db2.gz ZJOSOESIDRBTPN-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000963371841 1325177664 /nfs/dbraw/zinc/17/76/64/1325177664.db2.gz KFRFGNSHXDSMOA-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000963371841 1325177670 /nfs/dbraw/zinc/17/76/70/1325177670.db2.gz KFRFGNSHXDSMOA-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C2CCC([NH2+]CC3CCC3)CC2)C1 ZINC000963419086 1325227358 /nfs/dbraw/zinc/22/73/58/1325227358.db2.gz CDLIPVKDRXXCAD-XEVCZEQESA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2C[C@H](C)n3ncnc32)C[N@@H+]1Cc1ccccc1 ZINC000925616063 1325231541 /nfs/dbraw/zinc/23/15/41/1325231541.db2.gz QAYBOIKILCVYJU-NEPXVJNWSA-N 2 1 339.487 3.174 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3F)c2)C12CCC2 ZINC000925658779 1325252319 /nfs/dbraw/zinc/25/23/19/1325252319.db2.gz UWIIFIBRZZDXTB-IAGOWNOFSA-N 2 1 327.403 3.373 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CCC4(CCOCC4)CO3)CC[NH2+]2)cc1 ZINC000925738795 1325277447 /nfs/dbraw/zinc/27/74/47/1325277447.db2.gz ZJXNOFMUSIKORU-AQNXPRMDSA-N 2 1 344.499 3.045 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CCC([NH2+]C(C)C)CC1 ZINC000964153835 1325483592 /nfs/dbraw/zinc/48/35/92/1325483592.db2.gz RIPMFNMSBNLZCL-ACBHZAAOSA-N 2 1 337.552 3.409 20 0 EGADMP OCCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926326339 1325516694 /nfs/dbraw/zinc/51/66/94/1325516694.db2.gz PRHHHILDYCRRSO-PCCBWWKXSA-N 2 1 330.516 3.429 20 0 EGADMP OCCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926326337 1325516737 /nfs/dbraw/zinc/51/67/37/1325516737.db2.gz PRHHHILDYCRRSO-ACRUOGEOSA-N 2 1 330.516 3.429 20 0 EGADMP OC1(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000926381086 1325534444 /nfs/dbraw/zinc/53/44/44/1325534444.db2.gz ZBXHVUNLFWZONS-IHWFROFDSA-N 2 1 328.500 3.467 20 0 EGADMP C[C@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+](C)C ZINC000926475337 1325568601 /nfs/dbraw/zinc/56/86/01/1325568601.db2.gz TZJKPLCQGPFDCB-LBFURVHYSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+](C)C ZINC000926475337 1325568608 /nfs/dbraw/zinc/56/86/08/1325568608.db2.gz TZJKPLCQGPFDCB-LBFURVHYSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+](C)C ZINC000926475337 1325568615 /nfs/dbraw/zinc/56/86/15/1325568615.db2.gz TZJKPLCQGPFDCB-LBFURVHYSA-N 3 1 329.532 3.359 20 0 EGADMP CC(C)[N@H+]1CCCN(C(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)CC1 ZINC000857110302 1325573194 /nfs/dbraw/zinc/57/31/94/1325573194.db2.gz UCJDQLRCCCFUSD-FQEVSTJZSA-N 2 1 343.515 3.052 20 0 EGADMP CC(C)[NH+]1CCCN(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857110302 1325573200 /nfs/dbraw/zinc/57/32/00/1325573200.db2.gz UCJDQLRCCCFUSD-FQEVSTJZSA-N 2 1 343.515 3.052 20 0 EGADMP CC(C)[NH+]1CCCN(C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000857110302 1325573209 /nfs/dbraw/zinc/57/32/09/1325573209.db2.gz UCJDQLRCCCFUSD-FQEVSTJZSA-N 2 1 343.515 3.052 20 0 EGADMP C[C@@H](NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)C(C)(C)C[NH+](C)C ZINC000857136375 1325578057 /nfs/dbraw/zinc/57/80/57/1325578057.db2.gz IKFSOTOGQOIVIT-VQIMIIECSA-N 2 1 345.531 3.202 20 0 EGADMP CN(C)c1cc(NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)cc[nH+]1 ZINC000857146169 1325581336 /nfs/dbraw/zinc/58/13/36/1325581336.db2.gz MMGUYRZDWYQPAF-KRWDZBQOSA-N 2 1 338.455 3.209 20 0 EGADMP CN(C)c1cc(NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)cc[nH+]1 ZINC000857146169 1325581345 /nfs/dbraw/zinc/58/13/45/1325581345.db2.gz MMGUYRZDWYQPAF-KRWDZBQOSA-N 2 1 338.455 3.209 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+][C@H](COC(N)=O)Cc2ccccc2)CC1 ZINC000926582802 1327624251 /nfs/dbraw/zinc/62/42/51/1327624251.db2.gz LUYNHYAZOZORKZ-IBGZPJMESA-N 2 1 347.503 3.207 20 0 EGADMP Cc1cccc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001027452336 1327693968 /nfs/dbraw/zinc/69/39/68/1327693968.db2.gz MURAMKUOLSYQOG-UXHICEINSA-N 2 1 345.531 3.004 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C1)[NH+](C)C ZINC001027459837 1327702889 /nfs/dbraw/zinc/70/28/89/1327702889.db2.gz CWQHWLCIICCNIP-VQTJNVASSA-N 2 1 345.531 3.066 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001027459732 1327703136 /nfs/dbraw/zinc/70/31/36/1327703136.db2.gz AFEVXGRZTDTOQY-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CCc1ccccc1C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001027460302 1327706044 /nfs/dbraw/zinc/70/60/44/1327706044.db2.gz IHCQWIVMVUIKAR-VQTJNVASSA-N 2 1 345.531 3.012 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2c(C)cccc2C)C1)[NH+](C)C ZINC001027462711 1327712268 /nfs/dbraw/zinc/71/22/68/1327712268.db2.gz BDUUEFNDFCNGAK-UYAOXDASSA-N 2 1 345.531 3.066 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001027492613 1327752570 /nfs/dbraw/zinc/75/25/70/1327752570.db2.gz RNDBYOCXRXJQAH-FQEVSTJZSA-N 2 1 348.450 3.071 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2CC3(C2)OCCO3)CC1 ZINC000927001790 1327814190 /nfs/dbraw/zinc/81/41/90/1327814190.db2.gz PEOAJIXQEHIGET-UHFFFAOYSA-N 2 1 344.499 3.172 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CC3CCCCC3)C2)CC[N@H+]1C ZINC001027546340 1327851392 /nfs/dbraw/zinc/85/13/92/1327851392.db2.gz MDNNCDLPJPKKTF-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)CC3CCCCC3)C2)CC[NH+]1C ZINC001027546340 1327851402 /nfs/dbraw/zinc/85/14/02/1327851402.db2.gz MDNNCDLPJPKKTF-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)CC3CCCCC3)C2)CC[NH+]1C ZINC001027546340 1327851407 /nfs/dbraw/zinc/85/14/07/1327851407.db2.gz MDNNCDLPJPKKTF-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555399 1327863240 /nfs/dbraw/zinc/86/32/40/1327863240.db2.gz KWKHLVRLCQHBIK-FQEVSTJZSA-N 2 1 347.547 3.142 20 0 EGADMP C[N@@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027605105 1327960811 /nfs/dbraw/zinc/96/08/11/1327960811.db2.gz VSFYMICROCWBGP-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CCC2CC2)C1 ZINC001027648780 1328029240 /nfs/dbraw/zinc/02/92/40/1328029240.db2.gz ZPTWVCYCHDKHQE-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1 ZINC001027648780 1328029246 /nfs/dbraw/zinc/02/92/46/1328029246.db2.gz ZPTWVCYCHDKHQE-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC001027648780 1328029250 /nfs/dbraw/zinc/02/92/50/1328029250.db2.gz ZPTWVCYCHDKHQE-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027680696 1328078914 /nfs/dbraw/zinc/07/89/14/1328078914.db2.gz JCKCVQBLAALVOS-RTBURBONSA-N 2 1 343.515 3.075 20 0 EGADMP C[N@@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694405 1328101313 /nfs/dbraw/zinc/10/13/13/1328101313.db2.gz XXDQKILSBNOKST-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1)c1ccccc1 ZINC001027696158 1328104873 /nfs/dbraw/zinc/10/48/73/1328104873.db2.gz LWYBLRJNAUXMRI-VQTJNVASSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1)c1ccccc1 ZINC001027696158 1328104885 /nfs/dbraw/zinc/10/48/85/1328104885.db2.gz LWYBLRJNAUXMRI-VQTJNVASSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966076851 1328171035 /nfs/dbraw/zinc/17/10/35/1328171035.db2.gz ODCLTHCFOCTCGO-ROUUACIJSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000928012997 1328172109 /nfs/dbraw/zinc/17/21/09/1328172109.db2.gz PFLCWNKJYRXADU-ZJRDLVKKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CC[N@H+](CCC2CC2)C[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000966485319 1328317441 /nfs/dbraw/zinc/31/74/41/1328317441.db2.gz AIIIERHHKSNBDO-PBHICJAKSA-N 2 1 349.544 3.050 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC2CC2)C[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000966485319 1328317451 /nfs/dbraw/zinc/31/74/51/1328317451.db2.gz AIIIERHHKSNBDO-PBHICJAKSA-N 2 1 349.544 3.050 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001027878737 1328344794 /nfs/dbraw/zinc/34/47/94/1328344794.db2.gz HRDDYNLSXGVXFL-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001027878737 1328344800 /nfs/dbraw/zinc/34/48/00/1328344800.db2.gz HRDDYNLSXGVXFL-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCC1 ZINC001027878737 1328344809 /nfs/dbraw/zinc/34/48/09/1328344809.db2.gz HRDDYNLSXGVXFL-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001027924471 1328402205 /nfs/dbraw/zinc/40/22/05/1328402205.db2.gz JRNFMWZGTUWYGG-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001027924471 1328402210 /nfs/dbraw/zinc/40/22/10/1328402210.db2.gz JRNFMWZGTUWYGG-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001027924471 1328402214 /nfs/dbraw/zinc/40/22/14/1328402214.db2.gz JRNFMWZGTUWYGG-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028003461 1328464691 /nfs/dbraw/zinc/46/46/91/1328464691.db2.gz OOMQSDBVGVHYFL-IBGZPJMESA-N 2 1 348.450 3.037 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)c2ccn3c[nH+]cc3c2)cc1 ZINC001028002777 1328465368 /nfs/dbraw/zinc/46/53/68/1328465368.db2.gz IIUGFMNZXKKVOU-LJQANCHMSA-N 2 1 348.450 3.037 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC001028028400 1328490384 /nfs/dbraw/zinc/49/03/84/1328490384.db2.gz HCMDMAKXGFEXAX-IBGZPJMESA-N 2 1 348.450 3.037 20 0 EGADMP CCCn1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nn1 ZINC000865508969 1329707120 /nfs/dbraw/zinc/70/71/20/1329707120.db2.gz IVHHRDPRDPPCNA-MJGOQNOKSA-N 2 1 341.503 3.078 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC000932626116 1329828934 /nfs/dbraw/zinc/82/89/34/1329828934.db2.gz OXCYTZQZPXLTMQ-MRXNPFEDSA-N 2 1 333.545 3.371 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H](c3ccccn3)C(C)C)CC2)nc(C)[nH+]1 ZINC000866281480 1330090147 /nfs/dbraw/zinc/09/01/47/1330090147.db2.gz IMJAXQAUQAARQY-HXUWFJFHSA-N 2 1 339.487 3.444 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)C2CC[NH2+]CC2)cc1)C(C)C ZINC000868010715 1330240178 /nfs/dbraw/zinc/24/01/78/1330240178.db2.gz WTMRDZYPEUOUQK-INIZCTEOSA-N 2 1 331.504 3.035 20 0 EGADMP C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000942518223 1331950547 /nfs/dbraw/zinc/95/05/47/1331950547.db2.gz ORLLLUCVVYUAKJ-YJBOKZPZSA-N 2 1 342.487 3.211 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598363 1331996766 /nfs/dbraw/zinc/99/67/66/1331996766.db2.gz WNGWAHVVSCLOMX-XLIONFOSSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821366 1332042445 /nfs/dbraw/zinc/04/24/45/1332042445.db2.gz DVKHPHGVARVRCN-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CC2=CCCCC2)CC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821366 1332042446 /nfs/dbraw/zinc/04/24/46/1332042446.db2.gz DVKHPHGVARVRCN-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CC2=CCCCC2)CC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821366 1332042448 /nfs/dbraw/zinc/04/24/48/1332042448.db2.gz DVKHPHGVARVRCN-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CC3=CCCCC3)C[C@H]2C)CC1 ZINC000943756180 1332254589 /nfs/dbraw/zinc/25/45/89/1332254589.db2.gz MDHRVBOXVVPMSU-UYAOXDASSA-N 2 1 347.547 3.045 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944168581 1332338586 /nfs/dbraw/zinc/33/85/86/1332338586.db2.gz JXUNIVBBLWOWEC-CRAIPNDOSA-N 2 1 346.519 3.024 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944168581 1332338588 /nfs/dbraw/zinc/33/85/88/1332338588.db2.gz JXUNIVBBLWOWEC-CRAIPNDOSA-N 2 1 346.519 3.024 20 0 EGADMP C[C@H]1C[N@@H+](CCC2CCCCCC2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944943304 1332458720 /nfs/dbraw/zinc/45/87/20/1332458720.db2.gz GPYATVKYUIGXPK-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+](C(C)C)C[C@H]2CC1)[NH+]1CCCCC1 ZINC000946904462 1332929182 /nfs/dbraw/zinc/92/91/82/1332929182.db2.gz HGAGNRMTTYRLOJ-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CC[N@H+](CCC(C)C)[C@H](C)C2)ccc2c[nH+]cn21 ZINC000947474562 1333142219 /nfs/dbraw/zinc/14/22/19/1333142219.db2.gz VWOAYEUZLKWJTN-NVXWUHKLSA-N 2 1 342.487 3.272 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCCC1CCC1 ZINC000947774788 1333257674 /nfs/dbraw/zinc/25/76/74/1333257674.db2.gz GKCNWSCTBPVYPM-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947799569 1333264837 /nfs/dbraw/zinc/26/48/37/1333264837.db2.gz BMNCWIRARFHZAL-FXAWDEMLSA-N 2 1 345.531 3.377 20 0 EGADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC000948243662 1333439123 /nfs/dbraw/zinc/43/91/23/1333439123.db2.gz BSLGBTZJWAWNKD-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC000948243662 1333439125 /nfs/dbraw/zinc/43/91/25/1333439125.db2.gz BSLGBTZJWAWNKD-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC000948243662 1333439127 /nfs/dbraw/zinc/43/91/27/1333439127.db2.gz BSLGBTZJWAWNKD-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948434620 1333523312 /nfs/dbraw/zinc/52/33/12/1333523312.db2.gz DFEJMHVCKDKPLQ-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948434620 1333523314 /nfs/dbraw/zinc/52/33/14/1333523314.db2.gz DFEJMHVCKDKPLQ-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000948570577 1333581344 /nfs/dbraw/zinc/58/13/44/1333581344.db2.gz METWMYBKVVTJEL-KRWDZBQOSA-N 2 1 342.487 3.369 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC000948620318 1333599641 /nfs/dbraw/zinc/59/96/41/1333599641.db2.gz DIRVFEJXTSZLBQ-IBGZPJMESA-N 2 1 344.503 3.005 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC000948620318 1333599646 /nfs/dbraw/zinc/59/96/46/1333599646.db2.gz DIRVFEJXTSZLBQ-IBGZPJMESA-N 2 1 344.503 3.005 20 0 EGADMP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948621428 1333600332 /nfs/dbraw/zinc/60/03/32/1333600332.db2.gz PNHMERXLCVOCJF-GOSISDBHSA-N 2 1 340.471 3.061 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H]2CCC[NH+](CCC3CC3)CC2)C1 ZINC000948711365 1333642396 /nfs/dbraw/zinc/64/23/96/1333642396.db2.gz OVNHKZHXGONURH-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CCC3CC3)CC2)C1 ZINC000948711365 1333642398 /nfs/dbraw/zinc/64/23/98/1333642398.db2.gz OVNHKZHXGONURH-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CCC3CC3)CC2)C1 ZINC000948711365 1333642401 /nfs/dbraw/zinc/64/24/01/1333642401.db2.gz OVNHKZHXGONURH-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000948710959 1333642745 /nfs/dbraw/zinc/64/27/45/1333642745.db2.gz IZTXUFYJVQQFEE-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948710959 1333642748 /nfs/dbraw/zinc/64/27/48/1333642748.db2.gz IZTXUFYJVQQFEE-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000948710959 1333642754 /nfs/dbraw/zinc/64/27/54/1333642754.db2.gz IZTXUFYJVQQFEE-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726699 1333648807 /nfs/dbraw/zinc/64/88/07/1333648807.db2.gz XUOVJEHJMBHRQD-SJLPKXTDSA-N 2 1 349.519 3.314 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC000948775375 1333673660 /nfs/dbraw/zinc/67/36/60/1333673660.db2.gz HALVTHHEBGENES-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC000948775375 1333673662 /nfs/dbraw/zinc/67/36/62/1333673662.db2.gz HALVTHHEBGENES-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000948775375 1333673666 /nfs/dbraw/zinc/67/36/66/1333673666.db2.gz HALVTHHEBGENES-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC000948862038 1333713189 /nfs/dbraw/zinc/71/31/89/1333713189.db2.gz ZCTQRZZHKLESSD-LJQANCHMSA-N 2 1 349.494 3.034 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000949627447 1333885387 /nfs/dbraw/zinc/88/53/87/1333885387.db2.gz FCNFGTXTULQPRA-LJQANCHMSA-N 2 1 343.515 3.156 20 0 EGADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000949807479 1333928625 /nfs/dbraw/zinc/92/86/25/1333928625.db2.gz SRBOWAMMIUMIQQ-UYAOXDASSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000949807479 1333928629 /nfs/dbraw/zinc/92/86/29/1333928629.db2.gz SRBOWAMMIUMIQQ-UYAOXDASSA-N 2 1 343.515 3.014 20 0 EGADMP CCC(CC)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000952406846 1334451076 /nfs/dbraw/zinc/45/10/76/1334451076.db2.gz LNOGYKPIEHFPCX-LJQANCHMSA-N 2 1 337.552 3.218 20 0 EGADMP C[C@H]1CC[N@@H+](CC2CCCCCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968192265 1335868663 /nfs/dbraw/zinc/86/86/63/1335868663.db2.gz PXIDITZLDPEBRY-FXAWDEMLSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968689042 1336012584 /nfs/dbraw/zinc/01/25/84/1336012584.db2.gz RVKYXCNYLOHFQB-WMZOPIPTSA-N 2 1 349.519 3.362 20 0 EGADMP CC(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968934183 1336094746 /nfs/dbraw/zinc/09/47/46/1336094746.db2.gz OSQDYCIMYCPRJS-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968933946 1336095323 /nfs/dbraw/zinc/09/53/23/1336095323.db2.gz IJUUWROOWYQBLO-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968936939 1336096299 /nfs/dbraw/zinc/09/62/99/1336096299.db2.gz VLZHSOVHNXNSNN-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968990511 1336112547 /nfs/dbraw/zinc/11/25/47/1336112547.db2.gz FWQZTCQYFWHVHX-MOPGFXCFSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000968990511 1336112549 /nfs/dbraw/zinc/11/25/49/1336112549.db2.gz FWQZTCQYFWHVHX-MOPGFXCFSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000968990511 1336112550 /nfs/dbraw/zinc/11/25/50/1336112550.db2.gz FWQZTCQYFWHVHX-MOPGFXCFSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CC2CCC2)CC1 ZINC000969100843 1336143531 /nfs/dbraw/zinc/14/35/31/1336143531.db2.gz JLSHRKXLFQQXFW-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC000969674318 1336235777 /nfs/dbraw/zinc/23/57/77/1336235777.db2.gz IHXRDDFEOVHUMU-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC000970141738 1336284106 /nfs/dbraw/zinc/28/41/06/1336284106.db2.gz GGCHTSJXXLTCDV-DAWZGUTISA-N 2 1 346.519 3.023 20 0 EGADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1C[NH+](CCCC2CCCC2)C1 ZINC000970325455 1336294850 /nfs/dbraw/zinc/29/48/50/1336294850.db2.gz GBWLDHRALCJAEG-LNLFQRSKSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001005478036 1336358378 /nfs/dbraw/zinc/35/83/78/1336358378.db2.gz UGNDZJBAMIAORY-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001005590267 1336376293 /nfs/dbraw/zinc/37/62/93/1336376293.db2.gz XADWDIWXXUPBRW-FXAWDEMLSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001005991901 1336435381 /nfs/dbraw/zinc/43/53/81/1336435381.db2.gz QGGBTBURZBIWOP-ROUUACIJSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001005991521 1336435442 /nfs/dbraw/zinc/43/54/42/1336435442.db2.gz NWENJPIEDPVQFN-MSOLQXFVSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001007500847 1336658851 /nfs/dbraw/zinc/65/88/51/1336658851.db2.gz WCURWXOTILAMNU-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001007500847 1336658853 /nfs/dbraw/zinc/65/88/53/1336658853.db2.gz WCURWXOTILAMNU-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001007500847 1336658856 /nfs/dbraw/zinc/65/88/56/1336658856.db2.gz WCURWXOTILAMNU-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007499170 1336658908 /nfs/dbraw/zinc/65/89/08/1336658908.db2.gz OLSXSLZVCGPFHR-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007499170 1336658909 /nfs/dbraw/zinc/65/89/09/1336658909.db2.gz OLSXSLZVCGPFHR-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007499170 1336658910 /nfs/dbraw/zinc/65/89/10/1336658910.db2.gz OLSXSLZVCGPFHR-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007744345 1336693726 /nfs/dbraw/zinc/69/37/26/1336693726.db2.gz JABAFVWJBQEZAT-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001007744345 1336693730 /nfs/dbraw/zinc/69/37/30/1336693730.db2.gz JABAFVWJBQEZAT-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001007744345 1336693733 /nfs/dbraw/zinc/69/37/33/1336693733.db2.gz JABAFVWJBQEZAT-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001008747477 1336919215 /nfs/dbraw/zinc/91/92/15/1336919215.db2.gz LIEBBIYXBQAFAX-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cncc(Br)c2Cl)CCC[C@@H]1C[NH3+] ZINC001206036860 1370944558 /nfs/dbraw/zinc/94/45/58/1370944558.db2.gz RVFYMAGFYOAYOA-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cncc(Br)c2Cl)CCC[C@@H]1C[NH3+] ZINC001206036860 1370944565 /nfs/dbraw/zinc/94/45/65/1370944565.db2.gz RVFYMAGFYOAYOA-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001009164921 1336979592 /nfs/dbraw/zinc/97/95/92/1336979592.db2.gz BHASCLSPEJPMBM-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001009164921 1336979594 /nfs/dbraw/zinc/97/95/94/1336979594.db2.gz BHASCLSPEJPMBM-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001009164921 1336979596 /nfs/dbraw/zinc/97/95/96/1336979596.db2.gz BHASCLSPEJPMBM-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001009197254 1336984910 /nfs/dbraw/zinc/98/49/10/1336984910.db2.gz BVVSLZYYHZCMPG-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001009197254 1336984914 /nfs/dbraw/zinc/98/49/14/1336984914.db2.gz BVVSLZYYHZCMPG-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001009197254 1336984917 /nfs/dbraw/zinc/98/49/17/1336984917.db2.gz BVVSLZYYHZCMPG-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001009537510 1337035128 /nfs/dbraw/zinc/03/51/28/1337035128.db2.gz NKVFBKHKLRQXJU-MOPGFXCFSA-N 2 1 343.515 3.041 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](CC3CCCC3)C2)c1 ZINC001009611197 1337046220 /nfs/dbraw/zinc/04/62/20/1337046220.db2.gz OFLKMFJTRSHXIZ-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC3CCC3)C2)o1 ZINC001009682422 1337059167 /nfs/dbraw/zinc/05/91/67/1337059167.db2.gz NQQLUQMMEGUKLX-QGZVFWFLSA-N 2 1 347.503 3.116 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCC3CC3)C2)o1 ZINC001009683566 1337059744 /nfs/dbraw/zinc/05/97/44/1337059744.db2.gz PKXZFNYYZYBRCJ-KRWDZBQOSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001015056671 1338004210 /nfs/dbraw/zinc/00/42/10/1338004210.db2.gz HRKKGUGPEPPVNG-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001015056671 1338004214 /nfs/dbraw/zinc/00/42/14/1338004214.db2.gz HRKKGUGPEPPVNG-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001015056671 1338004217 /nfs/dbraw/zinc/00/42/17/1338004217.db2.gz HRKKGUGPEPPVNG-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015114737 1338023201 /nfs/dbraw/zinc/02/32/01/1338023201.db2.gz RUFCEBRPXBAAIY-SJLPKXTDSA-N 2 1 348.450 3.208 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015501537 1338161401 /nfs/dbraw/zinc/16/14/01/1338161401.db2.gz BFELZAGTWKGCCM-RBUKOAKNSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001015597188 1338200862 /nfs/dbraw/zinc/20/08/62/1338200862.db2.gz NVMASJBCRMLTBA-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001015597188 1338200866 /nfs/dbraw/zinc/20/08/66/1338200866.db2.gz NVMASJBCRMLTBA-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001015597188 1338200871 /nfs/dbraw/zinc/20/08/71/1338200871.db2.gz NVMASJBCRMLTBA-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001015596374 1338201198 /nfs/dbraw/zinc/20/11/98/1338201198.db2.gz BOXLDFINCLJJLM-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001015596374 1338201202 /nfs/dbraw/zinc/20/12/02/1338201202.db2.gz BOXLDFINCLJJLM-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001015596374 1338201207 /nfs/dbraw/zinc/20/12/07/1338201207.db2.gz BOXLDFINCLJJLM-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCC(C)(C)C)C2)cc1 ZINC001015712635 1338272431 /nfs/dbraw/zinc/27/24/31/1338272431.db2.gz FKURRUWIBYENHU-LJQANCHMSA-N 2 1 345.531 3.031 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795759 1338315123 /nfs/dbraw/zinc/31/51/23/1338315123.db2.gz RVSJHCIOHVHRRZ-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)cc1 ZINC001015839615 1338331941 /nfs/dbraw/zinc/33/19/41/1338331941.db2.gz LXMSQEYSJCNXLY-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCC3CCCCCC3)C2)CC1 ZINC001015900848 1338353197 /nfs/dbraw/zinc/35/31/97/1338353197.db2.gz XCGVZQCOMUEWAV-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCC(C)CC3)C2)CC1 ZINC001015930897 1338363026 /nfs/dbraw/zinc/36/30/26/1338363026.db2.gz VRCBJSSOTCUNCY-AFMYVXGZSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001016336659 1338554451 /nfs/dbraw/zinc/55/44/51/1338554451.db2.gz DAUNADHNIAQUDW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001016336659 1338554456 /nfs/dbraw/zinc/55/44/56/1338554456.db2.gz DAUNADHNIAQUDW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001016336659 1338554457 /nfs/dbraw/zinc/55/44/57/1338554457.db2.gz DAUNADHNIAQUDW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC1CCCCC1)CC2 ZINC001016543063 1338640089 /nfs/dbraw/zinc/64/00/89/1338640089.db2.gz LVMMGGQUXWLLGO-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016615802 1338665082 /nfs/dbraw/zinc/66/50/82/1338665082.db2.gz XSAKJOFPBQMPDZ-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016660788 1338682433 /nfs/dbraw/zinc/68/24/33/1338682433.db2.gz BHIORCLZNDRQNH-OALUTQOASA-N 2 1 347.547 3.164 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CC=C(C)C)CC3)C1 ZINC001016789265 1338728166 /nfs/dbraw/zinc/72/81/66/1338728166.db2.gz IJGYYLUHLCRFPR-RTBURBONSA-N 2 1 347.547 3.045 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001016984545 1338792559 /nfs/dbraw/zinc/79/25/59/1338792559.db2.gz DYXMYRFIEDFZKF-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016986426 1338793465 /nfs/dbraw/zinc/79/34/65/1338793465.db2.gz QWSQOANYJXVGGD-MSOLQXFVSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001017178559 1338922965 /nfs/dbraw/zinc/92/29/65/1338922965.db2.gz ADUIHRRMGJIQQK-XBMUEBEBSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001018306056 1339570298 /nfs/dbraw/zinc/57/02/98/1339570298.db2.gz OONSNDQODJHHPU-AHRSYUTCSA-N 2 1 343.515 3.083 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCCC1 ZINC001028335225 1340572337 /nfs/dbraw/zinc/57/23/37/1340572337.db2.gz QGHVFISZSFKTGF-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001028335225 1340572340 /nfs/dbraw/zinc/57/23/40/1340572340.db2.gz QGHVFISZSFKTGF-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001028335225 1340572342 /nfs/dbraw/zinc/57/23/42/1340572342.db2.gz QGHVFISZSFKTGF-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCC1 ZINC001028335169 1340572609 /nfs/dbraw/zinc/57/26/09/1340572609.db2.gz OZWGJVWHESSEOR-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC001028335169 1340572611 /nfs/dbraw/zinc/57/26/11/1340572611.db2.gz OZWGJVWHESSEOR-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCCC1 ZINC001028335169 1340572613 /nfs/dbraw/zinc/57/26/13/1340572613.db2.gz OZWGJVWHESSEOR-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCCC1 ZINC001028335227 1340572865 /nfs/dbraw/zinc/57/28/65/1340572865.db2.gz QGHVFISZSFKTGF-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001028335227 1340572867 /nfs/dbraw/zinc/57/28/67/1340572867.db2.gz QGHVFISZSFKTGF-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001028335227 1340572870 /nfs/dbraw/zinc/57/28/70/1340572870.db2.gz QGHVFISZSFKTGF-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CCCC3CCCC3)C2)CC[N@H+]1C ZINC001028552519 1340697560 /nfs/dbraw/zinc/69/75/60/1340697560.db2.gz OOXGXHVVZVOIFD-HSALFYBXSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001028552519 1340697563 /nfs/dbraw/zinc/69/75/63/1340697563.db2.gz OOXGXHVVZVOIFD-HSALFYBXSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001028552519 1340697565 /nfs/dbraw/zinc/69/75/65/1340697565.db2.gz OOXGXHVVZVOIFD-HSALFYBXSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028754802 1340790976 /nfs/dbraw/zinc/79/09/76/1340790976.db2.gz AIDYETYRBFQDEM-UYAOXDASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028754802 1340790979 /nfs/dbraw/zinc/79/09/79/1340790979.db2.gz AIDYETYRBFQDEM-UYAOXDASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028754802 1340790984 /nfs/dbraw/zinc/79/09/84/1340790984.db2.gz AIDYETYRBFQDEM-UYAOXDASSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CC[NH+](CC3=CCCCC3)C2)C1 ZINC001028757966 1340793482 /nfs/dbraw/zinc/79/34/82/1340793482.db2.gz CIOVSEZKPVMPMP-VQTJNVASSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001028757966 1340793485 /nfs/dbraw/zinc/79/34/85/1340793485.db2.gz CIOVSEZKPVMPMP-VQTJNVASSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001028757966 1340793486 /nfs/dbraw/zinc/79/34/86/1340793486.db2.gz CIOVSEZKPVMPMP-VQTJNVASSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001029135469 1340939671 /nfs/dbraw/zinc/93/96/71/1340939671.db2.gz UCKADOHBEWDSSK-QKLQHJQFSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CC2)CC1 ZINC001029163880 1340946197 /nfs/dbraw/zinc/94/61/97/1340946197.db2.gz COGDAAYAUAKDNQ-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001029169175 1340947537 /nfs/dbraw/zinc/94/75/37/1340947537.db2.gz BZBQQJBBLPHUPE-FXAWDEMLSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001029306079 1340969831 /nfs/dbraw/zinc/96/98/31/1340969831.db2.gz HETAVUIGIKVWIU-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001029306079 1340969832 /nfs/dbraw/zinc/96/98/32/1340969832.db2.gz HETAVUIGIKVWIU-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001029306079 1340969833 /nfs/dbraw/zinc/96/98/33/1340969833.db2.gz HETAVUIGIKVWIU-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029739482 1341059396 /nfs/dbraw/zinc/05/93/96/1341059396.db2.gz JKTQIWPNBYTYSS-MJGOQNOKSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001029739482 1341059397 /nfs/dbraw/zinc/05/93/97/1341059397.db2.gz JKTQIWPNBYTYSS-MJGOQNOKSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001029739482 1341059399 /nfs/dbraw/zinc/05/93/99/1341059399.db2.gz JKTQIWPNBYTYSS-MJGOQNOKSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029750415 1341063211 /nfs/dbraw/zinc/06/32/11/1341063211.db2.gz GXBBHCSJHOXTLW-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029750415 1341063213 /nfs/dbraw/zinc/06/32/13/1341063213.db2.gz GXBBHCSJHOXTLW-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029750415 1341063215 /nfs/dbraw/zinc/06/32/15/1341063215.db2.gz GXBBHCSJHOXTLW-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029750412 1341063224 /nfs/dbraw/zinc/06/32/24/1341063224.db2.gz GXBBHCSJHOXTLW-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029750412 1341063225 /nfs/dbraw/zinc/06/32/25/1341063225.db2.gz GXBBHCSJHOXTLW-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029750412 1341063227 /nfs/dbraw/zinc/06/32/27/1341063227.db2.gz GXBBHCSJHOXTLW-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001029774214 1341069867 /nfs/dbraw/zinc/06/98/67/1341069867.db2.gz KVCXPDSCLXZSQA-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029774214 1341069868 /nfs/dbraw/zinc/06/98/68/1341069868.db2.gz KVCXPDSCLXZSQA-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029774214 1341069870 /nfs/dbraw/zinc/06/98/70/1341069870.db2.gz KVCXPDSCLXZSQA-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030026425 1341160507 /nfs/dbraw/zinc/16/05/07/1341160507.db2.gz SSHYJLHFDSZSFI-GGPKGHCWSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030026425 1341160508 /nfs/dbraw/zinc/16/05/08/1341160508.db2.gz SSHYJLHFDSZSFI-GGPKGHCWSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030026425 1341160509 /nfs/dbraw/zinc/16/05/09/1341160509.db2.gz SSHYJLHFDSZSFI-GGPKGHCWSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030026425 1341160510 /nfs/dbraw/zinc/16/05/10/1341160510.db2.gz SSHYJLHFDSZSFI-GGPKGHCWSA-N 2 1 343.515 3.121 20 0 EGADMP CCC(CC)C[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001030831740 1341232458 /nfs/dbraw/zinc/23/24/58/1341232458.db2.gz OZQMQMOMCXOTMA-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP O=C(NCC1C[NH+](CCC2CCCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001031766344 1341398759 /nfs/dbraw/zinc/39/87/59/1341398759.db2.gz GHWGIOXXFTXDPQ-UXHICEINSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NCC1C[NH+](CC2CCCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001032042551 1341444579 /nfs/dbraw/zinc/44/45/79/1341444579.db2.gz DJZJVVRGDSFYIJ-WOJBJXKFSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001032043058 1341444915 /nfs/dbraw/zinc/44/49/15/1341444915.db2.gz UDSJPYJUHBZRFZ-WOJBJXKFSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCCCC1 ZINC001032433900 1341511581 /nfs/dbraw/zinc/51/15/81/1341511581.db2.gz VDKYGZAUBHVKAL-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCCC1 ZINC001032433900 1341511582 /nfs/dbraw/zinc/51/15/82/1341511582.db2.gz VDKYGZAUBHVKAL-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCCC1 ZINC001032433900 1341511583 /nfs/dbraw/zinc/51/15/83/1341511583.db2.gz VDKYGZAUBHVKAL-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1=CCCCC1 ZINC001032445461 1341511817 /nfs/dbraw/zinc/51/18/17/1341511817.db2.gz HDHSVJZMLFMESB-AABGKKOBSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CCCCC1 ZINC001032445461 1341511818 /nfs/dbraw/zinc/51/18/18/1341511818.db2.gz HDHSVJZMLFMESB-AABGKKOBSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CCCCC1 ZINC001032445461 1341511819 /nfs/dbraw/zinc/51/18/19/1341511819.db2.gz HDHSVJZMLFMESB-AABGKKOBSA-N 2 1 345.531 3.035 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCC1 ZINC001032802676 1341618951 /nfs/dbraw/zinc/61/89/51/1341618951.db2.gz JIEGCDOETNEXPZ-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCC1 ZINC001032802676 1341618952 /nfs/dbraw/zinc/61/89/52/1341618952.db2.gz JIEGCDOETNEXPZ-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCCC1 ZINC001032802676 1341618953 /nfs/dbraw/zinc/61/89/53/1341618953.db2.gz JIEGCDOETNEXPZ-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033072986 1341716322 /nfs/dbraw/zinc/71/63/22/1341716322.db2.gz OJXDKOOEASFFEM-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033072986 1341716324 /nfs/dbraw/zinc/71/63/24/1341716324.db2.gz OJXDKOOEASFFEM-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033072986 1341716325 /nfs/dbraw/zinc/71/63/25/1341716325.db2.gz OJXDKOOEASFFEM-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC1CC(C[N@@H+]2CC[C@H](N(C)C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001033121710 1341732233 /nfs/dbraw/zinc/73/22/33/1341732233.db2.gz GQXYSJCLGOWZTQ-DQPZFDDXSA-N 2 1 349.544 3.002 20 0 EGADMP CC1CC(C[N@H+]2CC[C@H](N(C)C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001033121710 1341732234 /nfs/dbraw/zinc/73/22/34/1341732234.db2.gz GQXYSJCLGOWZTQ-DQPZFDDXSA-N 2 1 349.544 3.002 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033145572 1341738742 /nfs/dbraw/zinc/73/87/42/1341738742.db2.gz IGDWOVNOYNGRBH-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033145572 1341738743 /nfs/dbraw/zinc/73/87/43/1341738743.db2.gz IGDWOVNOYNGRBH-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033145572 1341738744 /nfs/dbraw/zinc/73/87/44/1341738744.db2.gz IGDWOVNOYNGRBH-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033145569 1341738760 /nfs/dbraw/zinc/73/87/60/1341738760.db2.gz IEOFKDHVYUZPOP-RBUKOAKNSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033145569 1341738761 /nfs/dbraw/zinc/73/87/61/1341738761.db2.gz IEOFKDHVYUZPOP-RBUKOAKNSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033145569 1341738762 /nfs/dbraw/zinc/73/87/62/1341738762.db2.gz IEOFKDHVYUZPOP-RBUKOAKNSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366435 1341797597 /nfs/dbraw/zinc/79/75/97/1341797597.db2.gz XJZCIYOYPPIRGO-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033366435 1341797598 /nfs/dbraw/zinc/79/75/98/1341797598.db2.gz XJZCIYOYPPIRGO-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033366435 1341797600 /nfs/dbraw/zinc/79/76/00/1341797600.db2.gz XJZCIYOYPPIRGO-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033470888 1341839622 /nfs/dbraw/zinc/83/96/22/1341839622.db2.gz FOWCLDNMQLYCGF-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033470888 1341839623 /nfs/dbraw/zinc/83/96/23/1341839623.db2.gz FOWCLDNMQLYCGF-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033470888 1341839625 /nfs/dbraw/zinc/83/96/25/1341839625.db2.gz FOWCLDNMQLYCGF-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033474457 1341840840 /nfs/dbraw/zinc/84/08/40/1341840840.db2.gz HWJQSNXQQUCJER-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033533256 1341861453 /nfs/dbraw/zinc/86/14/53/1341861453.db2.gz XQYKCADHIYUGFU-QUCCMNQESA-N 2 1 343.515 3.012 20 0 EGADMP CN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033567869 1341876647 /nfs/dbraw/zinc/87/66/47/1341876647.db2.gz BAARMKOKFRHANK-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001033570493 1341878496 /nfs/dbraw/zinc/87/84/96/1341878496.db2.gz AXTNFMNKUCZSKJ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033570493 1341878497 /nfs/dbraw/zinc/87/84/97/1341878497.db2.gz AXTNFMNKUCZSKJ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033570493 1341878498 /nfs/dbraw/zinc/87/84/98/1341878498.db2.gz AXTNFMNKUCZSKJ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001033593114 1341888711 /nfs/dbraw/zinc/88/87/11/1341888711.db2.gz GDQSXMPWSLMDKF-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001033593114 1341888712 /nfs/dbraw/zinc/88/87/12/1341888712.db2.gz GDQSXMPWSLMDKF-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001033593114 1341888713 /nfs/dbraw/zinc/88/87/13/1341888713.db2.gz GDQSXMPWSLMDKF-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033683549 1341949399 /nfs/dbraw/zinc/94/93/99/1341949399.db2.gz HWPRWNPGXWUNPV-HXUWFJFHSA-N 2 1 345.531 3.331 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC=C(C)C)C2)o1 ZINC001033698957 1341965904 /nfs/dbraw/zinc/96/59/04/1341965904.db2.gz GSDGSDOQSWFYHH-QGZVFWFLSA-N 2 1 347.503 3.234 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001033990795 1342134041 /nfs/dbraw/zinc/13/40/41/1342134041.db2.gz XRYCBASMKYQJCP-RKMNRJFLSA-N 2 1 349.906 3.037 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001033990795 1342134043 /nfs/dbraw/zinc/13/40/43/1342134043.db2.gz XRYCBASMKYQJCP-RKMNRJFLSA-N 2 1 349.906 3.037 20 0 EGADMP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC001075459862 1356392823 /nfs/dbraw/zinc/39/28/23/1356392823.db2.gz CVUWRHZBEUSHIO-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034003947 1342141884 /nfs/dbraw/zinc/14/18/84/1342141884.db2.gz JKRXILFYIKYBSG-IEBWSBKVSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001034005108 1342142543 /nfs/dbraw/zinc/14/25/43/1342142543.db2.gz RNSDEKBHCKGATG-AFMYVXGZSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034050367 1342191451 /nfs/dbraw/zinc/19/14/51/1342191451.db2.gz KNGKPZOVKLMFNC-MRXNPFEDSA-N 2 1 335.492 3.068 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034132254 1342261394 /nfs/dbraw/zinc/26/13/94/1342261394.db2.gz QJJAINGXSYIOFF-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CCCCC2)C1 ZINC001034132254 1342261397 /nfs/dbraw/zinc/26/13/97/1342261397.db2.gz QJJAINGXSYIOFF-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001034132254 1342261400 /nfs/dbraw/zinc/26/14/00/1342261400.db2.gz QJJAINGXSYIOFF-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034136924 1342264011 /nfs/dbraw/zinc/26/40/11/1342264011.db2.gz MJIZREWWNZOJSP-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCCC2CCCC2)C1 ZINC001034136924 1342264016 /nfs/dbraw/zinc/26/40/16/1342264016.db2.gz MJIZREWWNZOJSP-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCC2CCCC2)C1 ZINC001034136924 1342264018 /nfs/dbraw/zinc/26/40/18/1342264018.db2.gz MJIZREWWNZOJSP-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034205145 1342315750 /nfs/dbraw/zinc/31/57/50/1342315750.db2.gz STZZDCDODSGLKS-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034205145 1342315753 /nfs/dbraw/zinc/31/57/53/1342315753.db2.gz STZZDCDODSGLKS-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034205145 1342315758 /nfs/dbraw/zinc/31/57/58/1342315758.db2.gz STZZDCDODSGLKS-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211452 1342321015 /nfs/dbraw/zinc/32/10/15/1342321015.db2.gz MXCOPDNBINHNQL-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034211452 1342321019 /nfs/dbraw/zinc/32/10/19/1342321019.db2.gz MXCOPDNBINHNQL-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034211452 1342321021 /nfs/dbraw/zinc/32/10/21/1342321021.db2.gz MXCOPDNBINHNQL-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](CC3CCCC3)C2)C1 ZINC001034237945 1342339717 /nfs/dbraw/zinc/33/97/17/1342339717.db2.gz DJGPZCMLQXURHV-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@H+](CC3CCCC3)C2)C1 ZINC001034237945 1342339719 /nfs/dbraw/zinc/33/97/19/1342339719.db2.gz DJGPZCMLQXURHV-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CCCC3)C2)C1 ZINC001034237945 1342339723 /nfs/dbraw/zinc/33/97/23/1342339723.db2.gz DJGPZCMLQXURHV-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034239059 1342339979 /nfs/dbraw/zinc/33/99/79/1342339979.db2.gz HMRAVIIHVFWAGP-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2=CCCCC2)C1 ZINC001034239059 1342339982 /nfs/dbraw/zinc/33/99/82/1342339982.db2.gz HMRAVIIHVFWAGP-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2=CCCCC2)C1 ZINC001034239059 1342339988 /nfs/dbraw/zinc/33/99/88/1342339988.db2.gz HMRAVIIHVFWAGP-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2=CCCCC2)C1 ZINC001034272088 1342362885 /nfs/dbraw/zinc/36/28/85/1342362885.db2.gz RFFNSTAYJKCQDM-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2=CCCCC2)C1 ZINC001034272088 1342362889 /nfs/dbraw/zinc/36/28/89/1342362889.db2.gz RFFNSTAYJKCQDM-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2=CCCCC2)C1 ZINC001034272088 1342362892 /nfs/dbraw/zinc/36/28/92/1342362892.db2.gz RFFNSTAYJKCQDM-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](CCCC2CCCC2)C1 ZINC001034309998 1342392655 /nfs/dbraw/zinc/39/26/55/1342392655.db2.gz RICROKHVZGUIFR-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](CCCC2CCCC2)C1 ZINC001034309998 1342392658 /nfs/dbraw/zinc/39/26/58/1342392658.db2.gz RICROKHVZGUIFR-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](CCCC3CCCC3)C2)C1 ZINC001034395444 1342463537 /nfs/dbraw/zinc/46/35/37/1342463537.db2.gz ZHQCFOOHUQPPIK-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CCCC3CCCC3)C2)C1 ZINC001034395444 1342463538 /nfs/dbraw/zinc/46/35/38/1342463538.db2.gz ZHQCFOOHUQPPIK-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001034395444 1342463540 /nfs/dbraw/zinc/46/35/40/1342463540.db2.gz ZHQCFOOHUQPPIK-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034397774 1342464941 /nfs/dbraw/zinc/46/49/41/1342464941.db2.gz LKVKWJGZCITJKC-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034397774 1342464943 /nfs/dbraw/zinc/46/49/43/1342464943.db2.gz LKVKWJGZCITJKC-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034397774 1342464948 /nfs/dbraw/zinc/46/49/48/1342464948.db2.gz LKVKWJGZCITJKC-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](CCCC2CCCC2)C1 ZINC001034530639 1342587077 /nfs/dbraw/zinc/58/70/77/1342587077.db2.gz ZEFFDYGYYYLGFG-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](CCCC2CCCC2)C1 ZINC001034530639 1342587083 /nfs/dbraw/zinc/58/70/83/1342587083.db2.gz ZEFFDYGYYYLGFG-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034537575 1342595576 /nfs/dbraw/zinc/59/55/76/1342595576.db2.gz MOHMFRAVMVBQCM-HXUWFJFHSA-N 2 1 343.515 3.299 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034538323 1342597035 /nfs/dbraw/zinc/59/70/35/1342597035.db2.gz LRBLDPFGOWYRQK-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001034538323 1342597037 /nfs/dbraw/zinc/59/70/37/1342597037.db2.gz LRBLDPFGOWYRQK-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001034538323 1342597042 /nfs/dbraw/zinc/59/70/42/1342597042.db2.gz LRBLDPFGOWYRQK-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034545523 1342607527 /nfs/dbraw/zinc/60/75/27/1342607527.db2.gz UXOKAZNZEAFZQM-INIZCTEOSA-N 2 1 335.492 3.116 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001034610247 1342646644 /nfs/dbraw/zinc/64/66/44/1342646644.db2.gz KGPKOLNDQZXGJT-FHWLQOOXSA-N 2 1 349.563 3.314 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001034672624 1342684229 /nfs/dbraw/zinc/68/42/29/1342684229.db2.gz PRLGVTGJJPBOCQ-GUDVDZBRSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001034738647 1342729843 /nfs/dbraw/zinc/72/98/43/1342729843.db2.gz VIBUBVZTSYIKDW-AFYVEPGGSA-N 2 1 349.563 3.172 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1 ZINC001034794642 1342761571 /nfs/dbraw/zinc/76/15/71/1342761571.db2.gz MMPFCQCQYVUWRB-WGSAOQKQSA-N 2 1 344.503 3.099 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035192967 1343006764 /nfs/dbraw/zinc/00/67/64/1343006764.db2.gz RURKZDYSKMBRGI-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035192967 1343006767 /nfs/dbraw/zinc/00/67/67/1343006767.db2.gz RURKZDYSKMBRGI-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001035192967 1343006771 /nfs/dbraw/zinc/00/67/71/1343006771.db2.gz RURKZDYSKMBRGI-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193771 1343008049 /nfs/dbraw/zinc/00/80/49/1343008049.db2.gz ODPDGYQOHMUBEC-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035193771 1343008052 /nfs/dbraw/zinc/00/80/52/1343008052.db2.gz ODPDGYQOHMUBEC-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035193771 1343008056 /nfs/dbraw/zinc/00/80/56/1343008056.db2.gz ODPDGYQOHMUBEC-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC3(CC[NH+](CC(C)C)C3)CC2)C1 ZINC001035215749 1343034917 /nfs/dbraw/zinc/03/49/17/1343034917.db2.gz LBHYIBVCZYMZPO-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC3(CC[N@H+](CC(C)C)C3)CC2)C1 ZINC001035215749 1343034921 /nfs/dbraw/zinc/03/49/21/1343034921.db2.gz LBHYIBVCZYMZPO-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC3(CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC001035215749 1343034923 /nfs/dbraw/zinc/03/49/23/1343034923.db2.gz LBHYIBVCZYMZPO-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)CC2 ZINC001035226264 1343047344 /nfs/dbraw/zinc/04/73/44/1343047344.db2.gz FRTSSTOXWCZNTJ-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)CC2 ZINC001035226264 1343047347 /nfs/dbraw/zinc/04/73/47/1343047347.db2.gz FRTSSTOXWCZNTJ-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001035233918 1343056026 /nfs/dbraw/zinc/05/60/26/1343056026.db2.gz OVKMIZWWBVVQAE-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001035238865 1343061816 /nfs/dbraw/zinc/06/18/16/1343061816.db2.gz JVDPGUMPDVLNIH-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035716931 1343150011 /nfs/dbraw/zinc/15/00/11/1343150011.db2.gz BEDIMSJOUABECO-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)CC2 ZINC001035772462 1343184406 /nfs/dbraw/zinc/18/44/06/1343184406.db2.gz BZDNHSJRZZDDSF-LJQANCHMSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001036099130 1343313057 /nfs/dbraw/zinc/31/30/57/1343313057.db2.gz XLWVYTNSUYVUDE-WMZOPIPTSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001036193341 1343356984 /nfs/dbraw/zinc/35/69/84/1343356984.db2.gz MKNHYQAUTZROOJ-MJGOQNOKSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]([NH2+]CCC2CC2)[C@H](C)C1 ZINC001036205855 1343362900 /nfs/dbraw/zinc/36/29/00/1343362900.db2.gz YQBZUZARBQDJRM-AEFFLSMTSA-N 2 1 346.519 3.023 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036755213 1343676670 /nfs/dbraw/zinc/67/66/70/1343676670.db2.gz SMFLKWLDVGCBPM-MJGOQNOKSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036755213 1343676672 /nfs/dbraw/zinc/67/66/72/1343676672.db2.gz SMFLKWLDVGCBPM-MJGOQNOKSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036755213 1343676673 /nfs/dbraw/zinc/67/66/73/1343676673.db2.gz SMFLKWLDVGCBPM-MJGOQNOKSA-N 2 1 349.563 3.362 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001037045516 1343946795 /nfs/dbraw/zinc/94/67/95/1343946795.db2.gz VOLLWSQAXPSXGZ-OALUTQOASA-N 2 1 346.519 3.036 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001037078390 1343970783 /nfs/dbraw/zinc/97/07/83/1343970783.db2.gz IZLJACGOFIUECH-RTBURBONSA-N 2 1 347.547 3.093 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CC1CCCCCC1)c1ccc2c[nH+]cn2c1 ZINC001038520947 1344464428 /nfs/dbraw/zinc/46/44/28/1344464428.db2.gz TXBYPNGDODEBDO-IBGZPJMESA-N 2 1 340.471 3.109 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001038647418 1344521808 /nfs/dbraw/zinc/52/18/08/1344521808.db2.gz SOEPBJDBQSBJSA-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001038647418 1344521812 /nfs/dbraw/zinc/52/18/12/1344521812.db2.gz SOEPBJDBQSBJSA-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001038777851 1344580995 /nfs/dbraw/zinc/58/09/95/1344580995.db2.gz CTDQFCXZEFIOAH-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001038777851 1344580996 /nfs/dbraw/zinc/58/09/96/1344580996.db2.gz CTDQFCXZEFIOAH-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001038777851 1344580997 /nfs/dbraw/zinc/58/09/97/1344580997.db2.gz CTDQFCXZEFIOAH-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCC1 ZINC001038783397 1344582100 /nfs/dbraw/zinc/58/21/00/1344582100.db2.gz WYWIGMLYWJMFDM-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCC1 ZINC001038783397 1344582102 /nfs/dbraw/zinc/58/21/02/1344582102.db2.gz WYWIGMLYWJMFDM-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCC1 ZINC001038783397 1344582107 /nfs/dbraw/zinc/58/21/07/1344582107.db2.gz WYWIGMLYWJMFDM-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCC1 ZINC001038901819 1344641975 /nfs/dbraw/zinc/64/19/75/1344641975.db2.gz AJERMTKFVSMBPT-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC001038901819 1344641982 /nfs/dbraw/zinc/64/19/82/1344641982.db2.gz AJERMTKFVSMBPT-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001038901819 1344641984 /nfs/dbraw/zinc/64/19/84/1344641984.db2.gz AJERMTKFVSMBPT-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233340 1344953369 /nfs/dbraw/zinc/95/33/69/1344953369.db2.gz AYUPKKXGGNCOFE-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001039280967 1344995026 /nfs/dbraw/zinc/99/50/26/1344995026.db2.gz SSVXIVQAGAQWMA-XUBOLADHSA-N 2 1 349.563 3.122 20 0 EGADMP CC[N@H+](CC1CC1)C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001039490304 1345110328 /nfs/dbraw/zinc/11/03/28/1345110328.db2.gz YZEDLIPZLIBRTF-UHFFFAOYSA-N 2 1 346.519 3.120 20 0 EGADMP CC[N@@H+](CC1CC1)C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001039490304 1345110332 /nfs/dbraw/zinc/11/03/32/1345110332.db2.gz YZEDLIPZLIBRTF-UHFFFAOYSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCCC1)[NH+](C)C ZINC001039898287 1345239951 /nfs/dbraw/zinc/23/99/51/1345239951.db2.gz CNIIZSHQXWNYLS-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[N@H+]1CCC[C@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001040227647 1345385498 /nfs/dbraw/zinc/38/54/98/1345385498.db2.gz HYKHOMGVNBEOOO-IBGZPJMESA-N 2 1 349.544 3.146 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040242204 1345392330 /nfs/dbraw/zinc/39/23/30/1345392330.db2.gz XCDPGMRABGYZNN-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001040270362 1345405651 /nfs/dbraw/zinc/40/56/51/1345405651.db2.gz INAIKJSVGGUBIX-NRFANRHFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001040270362 1345405652 /nfs/dbraw/zinc/40/56/52/1345405652.db2.gz INAIKJSVGGUBIX-NRFANRHFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001040270362 1345405656 /nfs/dbraw/zinc/40/56/56/1345405656.db2.gz INAIKJSVGGUBIX-NRFANRHFSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040492866 1345519245 /nfs/dbraw/zinc/51/92/45/1345519245.db2.gz GEOBDFJUJMMXRI-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040492866 1345519246 /nfs/dbraw/zinc/51/92/46/1345519246.db2.gz GEOBDFJUJMMXRI-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040492866 1345519248 /nfs/dbraw/zinc/51/92/48/1345519248.db2.gz GEOBDFJUJMMXRI-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[NH+]1CCC2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040727172 1345571500 /nfs/dbraw/zinc/57/15/00/1345571500.db2.gz PNNQRKGNVXXIAA-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001040757284 1345575577 /nfs/dbraw/zinc/57/55/77/1345575577.db2.gz QRMMGEODCQBZDS-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042085182 1345940528 /nfs/dbraw/zinc/94/05/28/1345940528.db2.gz LJKVREPBTATKOC-WBVHZDCISA-N 2 1 349.544 3.002 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042085182 1345940529 /nfs/dbraw/zinc/94/05/29/1345940529.db2.gz LJKVREPBTATKOC-WBVHZDCISA-N 2 1 349.544 3.002 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C2C[NH+](CCC3CCCCCC3)C2)CC[N@H+]1C ZINC001042750236 1346111865 /nfs/dbraw/zinc/11/18/65/1346111865.db2.gz VVDLFYMQSWYEAG-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001042849971 1346120888 /nfs/dbraw/zinc/12/08/88/1346120888.db2.gz ZIYRDJZTRNLSRQ-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCC[C@H](CC[NH+]2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001043884894 1346218566 /nfs/dbraw/zinc/21/85/66/1346218566.db2.gz GYDQXZLLMRYMGB-QZTJIDSGSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCC[C@H](CC[NH+]2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001043884894 1346218568 /nfs/dbraw/zinc/21/85/68/1346218568.db2.gz GYDQXZLLMRYMGB-QZTJIDSGSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H](C(=O)N(C)C1C[NH+](CCCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001044004022 1346232517 /nfs/dbraw/zinc/23/25/17/1346232517.db2.gz XNTHWNMJQSRBGJ-GOSISDBHSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001044333584 1346300939 /nfs/dbraw/zinc/30/09/39/1346300939.db2.gz WXLFOCUWTPSJHU-HDICACEKSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045061078 1346488155 /nfs/dbraw/zinc/48/81/55/1346488155.db2.gz UASOAGADZRTNQX-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001045069442 1346489302 /nfs/dbraw/zinc/48/93/02/1346489302.db2.gz YTMXPKNVLMUECL-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001045076449 1346490449 /nfs/dbraw/zinc/49/04/49/1346490449.db2.gz TYMYGRZMGXFNPS-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]2C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001045273466 1346545157 /nfs/dbraw/zinc/54/51/57/1346545157.db2.gz KLMPGHXIIZICBX-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1(C)CC[NH+](CCC2CCCC2)CC1 ZINC001045528906 1346617905 /nfs/dbraw/zinc/61/79/05/1346617905.db2.gz HMJYFDXYVVMHOK-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)C1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC2=CCCCC2)CCC1 ZINC001045792455 1346699609 /nfs/dbraw/zinc/69/96/09/1346699609.db2.gz CMNKZVQMLXUJKM-MOPGFXCFSA-N 2 1 345.531 3.036 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001045941652 1346777300 /nfs/dbraw/zinc/77/73/00/1346777300.db2.gz KRHKZEUITPXBKR-NRFANRHFSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001045943279 1346779074 /nfs/dbraw/zinc/77/90/74/1346779074.db2.gz HNCCHUASYMEBKX-CTNGQTDRSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045943279 1346779075 /nfs/dbraw/zinc/77/90/75/1346779075.db2.gz HNCCHUASYMEBKX-CTNGQTDRSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001045943279 1346779077 /nfs/dbraw/zinc/77/90/77/1346779077.db2.gz HNCCHUASYMEBKX-CTNGQTDRSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045944779 1346780865 /nfs/dbraw/zinc/78/08/65/1346780865.db2.gz IFHQEUYUVAFEJE-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001045944779 1346780867 /nfs/dbraw/zinc/78/08/67/1346780867.db2.gz IFHQEUYUVAFEJE-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001045944779 1346780869 /nfs/dbraw/zinc/78/08/69/1346780869.db2.gz IFHQEUYUVAFEJE-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001045950776 1346785593 /nfs/dbraw/zinc/78/55/93/1346785593.db2.gz LFODVCBWQSFLAS-HXUWFJFHSA-N 2 1 340.471 3.061 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045966828 1346802334 /nfs/dbraw/zinc/80/23/34/1346802334.db2.gz HFYMHUXYZJOFBF-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001045966828 1346802335 /nfs/dbraw/zinc/80/23/35/1346802335.db2.gz HFYMHUXYZJOFBF-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001045966828 1346802338 /nfs/dbraw/zinc/80/23/38/1346802338.db2.gz HFYMHUXYZJOFBF-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001045977883 1346814775 /nfs/dbraw/zinc/81/47/75/1346814775.db2.gz KGDYFELYQUHXQG-OAQYLSRUSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1ccccc1C[N@H+]1CC[C@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046450283 1346977893 /nfs/dbraw/zinc/97/78/93/1346977893.db2.gz RCIHCZILEDZOID-NRFANRHFSA-N 2 1 348.450 3.037 20 0 EGADMP C[C@]1(NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+](CC2CCCCC2)C1 ZINC001046450112 1346978000 /nfs/dbraw/zinc/97/80/00/1346978000.db2.gz PSXSCJJVWSPCDU-FQEVSTJZSA-N 2 1 340.471 3.109 20 0 EGADMP C[C@]1(NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+](CC2=CCCCC2)C1 ZINC001046453277 1346979586 /nfs/dbraw/zinc/97/95/86/1346979586.db2.gz GJQLVPTUQBGZRZ-FQEVSTJZSA-N 2 1 338.455 3.029 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@]2(C)CC[NH+](CC(CC)CC)C2)C1 ZINC001046561110 1347017591 /nfs/dbraw/zinc/01/75/91/1347017591.db2.gz DFYIHALIVOYHLN-AZUAARDMSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@]2(C)CC[N@H+](CC(CC)CC)C2)C1 ZINC001046561110 1347017594 /nfs/dbraw/zinc/01/75/94/1347017594.db2.gz DFYIHALIVOYHLN-AZUAARDMSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@]2(C)CC[N@@H+](CC(CC)CC)C2)C1 ZINC001046561110 1347017595 /nfs/dbraw/zinc/01/75/95/1347017595.db2.gz DFYIHALIVOYHLN-AZUAARDMSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCC3CCCCCC3)C2)CC1 ZINC001046595750 1347031998 /nfs/dbraw/zinc/03/19/98/1347031998.db2.gz NOJVKKYLNNPTGM-NRFANRHFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132442227 1375386164 /nfs/dbraw/zinc/38/61/64/1375386164.db2.gz XMNAYMFBUAZRTD-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCC(C)(C)C)C1 ZINC001132442227 1375386168 /nfs/dbraw/zinc/38/61/68/1375386168.db2.gz XMNAYMFBUAZRTD-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC(C)(C)C)C1 ZINC001132442227 1375386172 /nfs/dbraw/zinc/38/61/72/1375386172.db2.gz XMNAYMFBUAZRTD-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046863718 1347136892 /nfs/dbraw/zinc/13/68/92/1347136892.db2.gz HFOBXZIVIDDOMI-UZLBHIALSA-N 2 1 349.519 3.362 20 0 EGADMP CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001047266340 1347287486 /nfs/dbraw/zinc/28/74/86/1347287486.db2.gz WMLXTAXNOAWXSW-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698161 1357350282 /nfs/dbraw/zinc/35/02/82/1357350282.db2.gz MNTPMYWHWXSCDW-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)C2 ZINC001048530762 1347579710 /nfs/dbraw/zinc/57/97/10/1347579710.db2.gz BESIRZGQWASLAM-ACHSLPGTSA-N 2 1 349.544 3.193 20 0 EGADMP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001048529645 1347580149 /nfs/dbraw/zinc/58/01/49/1347580149.db2.gz UCUSKVNHWXJHPI-CFSBILQPSA-N 2 1 349.563 3.122 20 0 EGADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001048529645 1347580151 /nfs/dbraw/zinc/58/01/51/1347580151.db2.gz UCUSKVNHWXJHPI-CFSBILQPSA-N 2 1 349.563 3.122 20 0 EGADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001048529645 1347580153 /nfs/dbraw/zinc/58/01/53/1347580153.db2.gz UCUSKVNHWXJHPI-CFSBILQPSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001048572344 1347598735 /nfs/dbraw/zinc/59/87/35/1347598735.db2.gz DYKJVUCXLLLEHY-IYWMVGAKSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001048572344 1347598736 /nfs/dbraw/zinc/59/87/36/1347598736.db2.gz DYKJVUCXLLLEHY-IYWMVGAKSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CC1)[NH+]1CCCCC1 ZINC001049478506 1347868790 /nfs/dbraw/zinc/86/87/90/1347868790.db2.gz PCMANKWLSMGROU-OALUTQOASA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477873 1347868875 /nfs/dbraw/zinc/86/88/75/1347868875.db2.gz JPJJFWWLVWWTTP-ZWKOTPCHSA-N 2 1 335.536 3.116 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC1CCC1 ZINC001049551843 1347905016 /nfs/dbraw/zinc/90/50/16/1347905016.db2.gz JGFQTXNZTMZMFH-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC1CCC1 ZINC001049551843 1347905019 /nfs/dbraw/zinc/90/50/19/1347905019.db2.gz JGFQTXNZTMZMFH-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC1CCC1 ZINC001049551843 1347905021 /nfs/dbraw/zinc/90/50/21/1347905021.db2.gz JGFQTXNZTMZMFH-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC(C)C ZINC001049837164 1348049848 /nfs/dbraw/zinc/04/98/48/1348049848.db2.gz OFBBZVANYNINQR-SLFFLAALSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(C)C ZINC001049837164 1348049851 /nfs/dbraw/zinc/04/98/51/1348049851.db2.gz OFBBZVANYNINQR-SLFFLAALSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(C)C ZINC001049837164 1348049855 /nfs/dbraw/zinc/04/98/55/1348049855.db2.gz OFBBZVANYNINQR-SLFFLAALSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1C ZINC001079805087 1357388288 /nfs/dbraw/zinc/38/82/88/1357388288.db2.gz IUHJGMGKDWNZJM-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1C ZINC001079805087 1357388291 /nfs/dbraw/zinc/38/82/91/1357388291.db2.gz IUHJGMGKDWNZJM-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1C ZINC001079805087 1357388296 /nfs/dbraw/zinc/38/82/96/1357388296.db2.gz IUHJGMGKDWNZJM-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CC2CC2)cc1 ZINC001050261643 1348221612 /nfs/dbraw/zinc/22/16/12/1348221612.db2.gz IMXHIOGDOPVEFT-JXFKEZNVSA-N 2 1 343.515 3.236 20 0 EGADMP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001050356868 1348236529 /nfs/dbraw/zinc/23/65/29/1348236529.db2.gz GAOQZUYLOMMAPK-BJLQDIEVSA-N 2 1 349.563 3.457 20 0 EGADMP O=C(N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001050375061 1348242745 /nfs/dbraw/zinc/24/27/45/1348242745.db2.gz DWNFCUOUYGXTFA-MUGJNUQGSA-N 2 1 347.547 3.068 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001050523951 1348283403 /nfs/dbraw/zinc/28/34/03/1348283403.db2.gz NMODGSAHWKTFQF-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052380697 1348536578 /nfs/dbraw/zinc/53/65/78/1348536578.db2.gz DNVFFVROJXILFR-RBUKOAKNSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052380697 1348536581 /nfs/dbraw/zinc/53/65/81/1348536581.db2.gz DNVFFVROJXILFR-RBUKOAKNSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052380697 1348536583 /nfs/dbraw/zinc/53/65/83/1348536583.db2.gz DNVFFVROJXILFR-RBUKOAKNSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447947 1348544079 /nfs/dbraw/zinc/54/40/79/1348544079.db2.gz QKYJLQRSXFYOJB-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052447947 1348544081 /nfs/dbraw/zinc/54/40/81/1348544081.db2.gz QKYJLQRSXFYOJB-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052447947 1348544084 /nfs/dbraw/zinc/54/40/84/1348544084.db2.gz QKYJLQRSXFYOJB-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052499293 1348559965 /nfs/dbraw/zinc/55/99/65/1348559965.db2.gz SLCXZFDMEGDSOW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC001052499293 1348559966 /nfs/dbraw/zinc/55/99/66/1348559966.db2.gz SLCXZFDMEGDSOW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001052499293 1348559969 /nfs/dbraw/zinc/55/99/69/1348559969.db2.gz SLCXZFDMEGDSOW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC001052499311 1348560481 /nfs/dbraw/zinc/56/04/81/1348560481.db2.gz SWRCNBCWGONICG-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001052499311 1348560482 /nfs/dbraw/zinc/56/04/82/1348560482.db2.gz SWRCNBCWGONICG-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001052499311 1348560484 /nfs/dbraw/zinc/56/04/84/1348560484.db2.gz SWRCNBCWGONICG-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001052589153 1348587789 /nfs/dbraw/zinc/58/77/89/1348587789.db2.gz CZDVUXDKPANSJN-LJQANCHMSA-N 2 1 345.531 3.031 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052620674 1348598009 /nfs/dbraw/zinc/59/80/09/1348598009.db2.gz RCSRCRXSKCKXBZ-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CC2CC(C)C2)CC1 ZINC001052756148 1348665750 /nfs/dbraw/zinc/66/57/50/1348665750.db2.gz CFGQJJAZQKHTCJ-DAWZGUTISA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)C2)CC1 ZINC001052756148 1348665754 /nfs/dbraw/zinc/66/57/54/1348665754.db2.gz CFGQJJAZQKHTCJ-DAWZGUTISA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052765466 1348670120 /nfs/dbraw/zinc/67/01/20/1348670120.db2.gz ZYIASDCGMHYMML-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052765466 1348670123 /nfs/dbraw/zinc/67/01/23/1348670123.db2.gz ZYIASDCGMHYMML-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052765466 1348670124 /nfs/dbraw/zinc/67/01/24/1348670124.db2.gz ZYIASDCGMHYMML-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052787964 1348679479 /nfs/dbraw/zinc/67/94/79/1348679479.db2.gz OJRWIGDWKIWELM-RTBURBONSA-N 2 1 349.494 3.081 20 0 EGADMP C[C@H](F)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052786975 1348679740 /nfs/dbraw/zinc/67/97/40/1348679740.db2.gz FSAMMVCIQKEEGU-QFBILLFUSA-N 2 1 349.494 3.081 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052788545 1348680051 /nfs/dbraw/zinc/68/00/51/1348680051.db2.gz SUFRNBXGVKLRES-FXAWDEMLSA-N 2 1 345.531 3.379 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](CCC3CCCCC3)CC2)C1 ZINC001052867334 1348710788 /nfs/dbraw/zinc/71/07/88/1348710788.db2.gz LIQLWYPJXMRQLC-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@H+](CCC3CCCCC3)CC2)C1 ZINC001052867334 1348710791 /nfs/dbraw/zinc/71/07/91/1348710791.db2.gz LIQLWYPJXMRQLC-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@@H+](CCC3CCCCC3)CC2)C1 ZINC001052867334 1348710795 /nfs/dbraw/zinc/71/07/95/1348710795.db2.gz LIQLWYPJXMRQLC-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001052990032 1348790472 /nfs/dbraw/zinc/79/04/72/1348790472.db2.gz IMZJVQQJOUTVIH-KNHRPLGBSA-N 2 1 347.547 3.138 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053037360 1348837402 /nfs/dbraw/zinc/83/74/02/1348837402.db2.gz ZBHIRUZLKGAKKZ-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053047749 1348849897 /nfs/dbraw/zinc/84/98/97/1348849897.db2.gz RTTQHSLKYLPDCH-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1)[NH+](C)C ZINC001054148374 1349154671 /nfs/dbraw/zinc/15/46/71/1349154671.db2.gz MEHBWPRRHNYUHS-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001054156233 1349159936 /nfs/dbraw/zinc/15/99/36/1349159936.db2.gz KOABHVWMVAGZRB-OAQYLSRUSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001054156233 1349159938 /nfs/dbraw/zinc/15/99/38/1349159938.db2.gz KOABHVWMVAGZRB-OAQYLSRUSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001054156233 1349159940 /nfs/dbraw/zinc/15/99/40/1349159940.db2.gz KOABHVWMVAGZRB-OAQYLSRUSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](CC(C)C)C2 ZINC001054292542 1349298580 /nfs/dbraw/zinc/29/85/80/1349298580.db2.gz KWNQUWBDKIOFNB-FQEVSTJZSA-N 2 1 343.515 3.149 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](CC(C)C)C2 ZINC001054292542 1349298586 /nfs/dbraw/zinc/29/85/86/1349298586.db2.gz KWNQUWBDKIOFNB-FQEVSTJZSA-N 2 1 343.515 3.149 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](CC(C)C)C2 ZINC001054292542 1349298594 /nfs/dbraw/zinc/29/85/94/1349298594.db2.gz KWNQUWBDKIOFNB-FQEVSTJZSA-N 2 1 343.515 3.149 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001086924470 1359249895 /nfs/dbraw/zinc/24/98/95/1359249895.db2.gz TZLUVWHUEGCIQV-IPMKNSEASA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[N@@H+]1CCC1CC1 ZINC001071546954 1354758485 /nfs/dbraw/zinc/75/84/85/1354758485.db2.gz PFSAPAWDLMZTKU-PBHICJAKSA-N 2 1 349.544 3.193 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[N@H+]1CCC1CC1 ZINC001071546954 1354758498 /nfs/dbraw/zinc/75/84/98/1354758498.db2.gz PFSAPAWDLMZTKU-PBHICJAKSA-N 2 1 349.544 3.193 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@H+]1CCC(C)(C)C ZINC001071653012 1354828821 /nfs/dbraw/zinc/82/88/21/1354828821.db2.gz RBTNADLZCXTKBZ-WBVHZDCISA-N 2 1 342.487 3.353 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@H+]1Cc1ccccc1 ZINC001071685531 1354849578 /nfs/dbraw/zinc/84/95/78/1354849578.db2.gz DAQNQVFESMJXLL-APWZRJJASA-N 2 1 348.450 3.117 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001071868669 1354993969 /nfs/dbraw/zinc/99/39/69/1354993969.db2.gz MELTXMLUFJGEBA-SJLPKXTDSA-N 2 1 348.535 3.412 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001071868669 1354993974 /nfs/dbraw/zinc/99/39/74/1354993974.db2.gz MELTXMLUFJGEBA-SJLPKXTDSA-N 2 1 348.535 3.412 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CCC(C)(C)C ZINC001071870757 1354996045 /nfs/dbraw/zinc/99/60/45/1354996045.db2.gz DLWKAPNOKORJMF-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CC1=CCCCC1 ZINC001071873263 1354998504 /nfs/dbraw/zinc/99/85/04/1354998504.db2.gz UDTIKTHOGOMWCG-FXAWDEMLSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CC1CCCCCC1 ZINC001072081004 1355118136 /nfs/dbraw/zinc/11/81/36/1355118136.db2.gz FJVLRIARTWDIDL-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1)[NH+](C)C ZINC001074066400 1356063527 /nfs/dbraw/zinc/06/35/27/1356063527.db2.gz DSMQPYHVOVNJEU-MSOLQXFVSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001082698337 1358078248 /nfs/dbraw/zinc/07/82/48/1358078248.db2.gz BZMCWMIPVUKYBV-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001082742783 1358085565 /nfs/dbraw/zinc/08/55/65/1358085565.db2.gz RUVDABMVKPZJCR-NLWGTHIKSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084958369 1358355032 /nfs/dbraw/zinc/35/50/32/1358355032.db2.gz WSZGSONILMCEQO-HOJAQTOUSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001084958369 1358355034 /nfs/dbraw/zinc/35/50/34/1358355034.db2.gz WSZGSONILMCEQO-HOJAQTOUSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001084958369 1358355035 /nfs/dbraw/zinc/35/50/35/1358355035.db2.gz WSZGSONILMCEQO-HOJAQTOUSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978317 1358358323 /nfs/dbraw/zinc/35/83/23/1358358323.db2.gz JMSIRSVZPREHMI-AQNXPRMDSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001084978317 1358358325 /nfs/dbraw/zinc/35/83/25/1358358325.db2.gz JMSIRSVZPREHMI-AQNXPRMDSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@@H]21 ZINC001084978317 1358358327 /nfs/dbraw/zinc/35/83/27/1358358327.db2.gz JMSIRSVZPREHMI-AQNXPRMDSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCC2)C1 ZINC001085224381 1358437371 /nfs/dbraw/zinc/43/73/71/1358437371.db2.gz BHYJBWBQHMYXLQ-XUVXKRRUSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085225399 1358437700 /nfs/dbraw/zinc/43/77/00/1358437700.db2.gz UUWJBVRMBBUGRC-VAMGGRTRSA-N 2 1 349.563 3.457 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085255087 1358445555 /nfs/dbraw/zinc/44/55/55/1358445555.db2.gz MYFIAJJZPHUGTE-AQNXPRMDSA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001085432885 1358498496 /nfs/dbraw/zinc/49/84/96/1358498496.db2.gz UVDWCGDQLNDIGS-VAMGGRTRSA-N 2 1 347.547 3.378 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCC2CCCCCC2)CC[N@H+]1C ZINC001085605474 1358628315 /nfs/dbraw/zinc/62/83/15/1358628315.db2.gz KRSZWNNLPIGPDG-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCC2CCCCCC2)CC[NH+]1C ZINC001085605474 1358628319 /nfs/dbraw/zinc/62/83/19/1358628319.db2.gz KRSZWNNLPIGPDG-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCC2CCCCCC2)CC[NH+]1C ZINC001085605474 1358628322 /nfs/dbraw/zinc/62/83/22/1358628322.db2.gz KRSZWNNLPIGPDG-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCC1CC1)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782065 1358757418 /nfs/dbraw/zinc/75/74/18/1358757418.db2.gz MFKBXWBOJJGLGL-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@H]1CC[NH+]1CCC1CC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782065 1358757419 /nfs/dbraw/zinc/75/74/19/1358757419.db2.gz MFKBXWBOJJGLGL-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@H]1CC[NH+]1CCC1CC1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782065 1358757422 /nfs/dbraw/zinc/75/74/22/1358757422.db2.gz MFKBXWBOJJGLGL-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086175075 1359015254 /nfs/dbraw/zinc/01/52/54/1359015254.db2.gz GDEKEFBEQMKAEW-AQNXPRMDSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086364499 1359078693 /nfs/dbraw/zinc/07/86/93/1359078693.db2.gz HQWDMCXCBLACCI-UFYCRDLUSA-N 2 1 347.547 3.234 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCCC3)C2)CC[N@H+]1C ZINC001086371162 1359079634 /nfs/dbraw/zinc/07/96/34/1359079634.db2.gz SXNRWUHIBFXOSX-LWYYNNOASA-N 2 1 349.563 3.172 20 0 EGADMP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001086399393 1359087237 /nfs/dbraw/zinc/08/72/37/1359087237.db2.gz AGLVOUGKYLIKEH-UAFMIMERSA-N 2 1 347.547 3.068 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(C)C)C1 ZINC001086850177 1359213887 /nfs/dbraw/zinc/21/38/87/1359213887.db2.gz ULERWSUDNDNGLE-OTWHNJEPSA-N 2 1 337.552 3.172 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086921511 1359248227 /nfs/dbraw/zinc/24/82/27/1359248227.db2.gz RJJPEPTWIQPVLH-OALUTQOASA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001086927077 1359252116 /nfs/dbraw/zinc/25/21/16/1359252116.db2.gz RNJXMBDVHKICMU-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303495 1359387188 /nfs/dbraw/zinc/38/71/88/1359387188.db2.gz MLXAYAJBMDCHHY-QRQLOZEOSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303495 1359387193 /nfs/dbraw/zinc/38/71/93/1359387193.db2.gz MLXAYAJBMDCHHY-QRQLOZEOSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303495 1359387198 /nfs/dbraw/zinc/38/71/98/1359387198.db2.gz MLXAYAJBMDCHHY-QRQLOZEOSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1CC=C(C)C ZINC001087590594 1359546983 /nfs/dbraw/zinc/54/69/83/1359546983.db2.gz NEOZOMYMWOTPEO-DLBZAZTESA-N 2 1 349.544 3.359 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@H+]1CC=C(C)C ZINC001087590594 1359546984 /nfs/dbraw/zinc/54/69/84/1359546984.db2.gz NEOZOMYMWOTPEO-DLBZAZTESA-N 2 1 349.544 3.359 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC=C(C)C)[C@@H]2CC)C1 ZINC001087696768 1359597239 /nfs/dbraw/zinc/59/72/39/1359597239.db2.gz LSZWWQXATSQHRT-GBESFXJTSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CC=C(C)C)[C@@H]2CC)C1 ZINC001087696768 1359597241 /nfs/dbraw/zinc/59/72/41/1359597241.db2.gz LSZWWQXATSQHRT-GBESFXJTSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CC=C(C)C)[C@@H]2CC)C1 ZINC001087696768 1359597244 /nfs/dbraw/zinc/59/72/44/1359597244.db2.gz LSZWWQXATSQHRT-GBESFXJTSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@@H+]1CCC(C)(C)C ZINC001087704667 1359599537 /nfs/dbraw/zinc/59/95/37/1359599537.db2.gz CVWWJGYBDXYKQD-DLBZAZTESA-N 2 1 349.519 3.360 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@H+]1CCC(C)(C)C ZINC001087704667 1359599540 /nfs/dbraw/zinc/59/95/40/1359599540.db2.gz CVWWJGYBDXYKQD-DLBZAZTESA-N 2 1 349.519 3.360 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC1CCCCCC1 ZINC001087712086 1359603900 /nfs/dbraw/zinc/60/39/00/1359603900.db2.gz NVVBAYRTHQRCIR-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC[N@H+]1CC1CCCC1 ZINC001087749739 1359626076 /nfs/dbraw/zinc/62/60/76/1359626076.db2.gz XNZYJBIZIUHGMK-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001088348107 1359834325 /nfs/dbraw/zinc/83/43/25/1359834325.db2.gz LFQDKHRUCIVTDH-IBGZPJMESA-N 2 1 344.503 3.053 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCCC[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001088382229 1359865217 /nfs/dbraw/zinc/86/52/17/1359865217.db2.gz XBDBKAXJJFZODG-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001088381603 1359865558 /nfs/dbraw/zinc/86/55/58/1359865558.db2.gz IUAHFFCIYFSNOT-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001088394606 1359871013 /nfs/dbraw/zinc/87/10/13/1359871013.db2.gz KMBHNQMBDPBNLC-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001088693395 1360015532 /nfs/dbraw/zinc/01/55/32/1360015532.db2.gz XWEFKMWGFDEVKS-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)[C@@H]1C ZINC001088693395 1360015541 /nfs/dbraw/zinc/01/55/41/1360015541.db2.gz XWEFKMWGFDEVKS-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)[C@@H]1C ZINC001088693395 1360015548 /nfs/dbraw/zinc/01/55/48/1360015548.db2.gz XWEFKMWGFDEVKS-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088769900 1360037167 /nfs/dbraw/zinc/03/71/67/1360037167.db2.gz MDNFMPKKTGHILE-QKLQHJQFSA-N 2 1 345.531 3.029 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812013 1360059816 /nfs/dbraw/zinc/05/98/16/1360059816.db2.gz HXIQGUPRIMMOPJ-YZGWKJHDSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088812013 1360059818 /nfs/dbraw/zinc/05/98/18/1360059818.db2.gz HXIQGUPRIMMOPJ-YZGWKJHDSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088812013 1360059822 /nfs/dbraw/zinc/05/98/22/1360059822.db2.gz HXIQGUPRIMMOPJ-YZGWKJHDSA-N 2 1 347.547 3.329 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001088922363 1360103851 /nfs/dbraw/zinc/10/38/51/1360103851.db2.gz HACXBQFJNYWVOK-UZLBHIALSA-N 2 1 345.531 3.377 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)[C@@H]1C ZINC001089061117 1360152686 /nfs/dbraw/zinc/15/26/86/1360152686.db2.gz YIEJXYOGXZKQIX-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)[C@@H]1C ZINC001089061117 1360152691 /nfs/dbraw/zinc/15/26/91/1360152691.db2.gz YIEJXYOGXZKQIX-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)[C@@H]1C ZINC001089061117 1360152695 /nfs/dbraw/zinc/15/26/95/1360152695.db2.gz YIEJXYOGXZKQIX-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCC3CC3)CC(C)(C)C2)CC[N@H+]1C ZINC001089392466 1360393280 /nfs/dbraw/zinc/39/32/80/1360393280.db2.gz UYXVSKLPTYAVHR-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CCC3CC3)CC(C)(C)C2)CC[NH+]1C ZINC001089392466 1360393283 /nfs/dbraw/zinc/39/32/83/1360393283.db2.gz UYXVSKLPTYAVHR-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCC3CC3)CC(C)(C)C2)CC[NH+]1C ZINC001089392466 1360393284 /nfs/dbraw/zinc/39/32/84/1360393284.db2.gz UYXVSKLPTYAVHR-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC=C(C)C)CC(C)(C)C1 ZINC001089401934 1360401684 /nfs/dbraw/zinc/40/16/84/1360401684.db2.gz ZPPLCZXEFGIFOQ-MOPGFXCFSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC=C(C)C)CC(C)(C)C1 ZINC001089401934 1360401687 /nfs/dbraw/zinc/40/16/87/1360401687.db2.gz ZPPLCZXEFGIFOQ-MOPGFXCFSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC=C(C)C)CC(C)(C)C1 ZINC001089401934 1360401688 /nfs/dbraw/zinc/40/16/88/1360401688.db2.gz ZPPLCZXEFGIFOQ-MOPGFXCFSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421508 1360415758 /nfs/dbraw/zinc/41/57/58/1360415758.db2.gz VEELPPORJFHDRG-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089421508 1360415762 /nfs/dbraw/zinc/41/57/62/1360415762.db2.gz VEELPPORJFHDRG-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089421508 1360415765 /nfs/dbraw/zinc/41/57/65/1360415765.db2.gz VEELPPORJFHDRG-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](CC3CCC3)CC(C)(C)C2)C1 ZINC001089488218 1360467934 /nfs/dbraw/zinc/46/79/34/1360467934.db2.gz SNRJSPMCRPQIPC-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CC3CCC3)CC(C)(C)C2)C1 ZINC001089488218 1360467936 /nfs/dbraw/zinc/46/79/36/1360467936.db2.gz SNRJSPMCRPQIPC-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CC3CCC3)CC(C)(C)C2)C1 ZINC001089488218 1360467938 /nfs/dbraw/zinc/46/79/38/1360467938.db2.gz SNRJSPMCRPQIPC-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C(C)C)CC(C)(C)C2)CC1 ZINC001089534676 1360494738 /nfs/dbraw/zinc/49/47/38/1360494738.db2.gz UQGLDNISXJTNKZ-GOSISDBHSA-N 2 1 337.552 3.122 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089564862 1360511513 /nfs/dbraw/zinc/51/15/13/1360511513.db2.gz KFVLLZWQRUZQRU-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089564862 1360511515 /nfs/dbraw/zinc/51/15/15/1360511515.db2.gz KFVLLZWQRUZQRU-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC(C)(C)C1 ZINC001089564862 1360511519 /nfs/dbraw/zinc/51/15/19/1360511519.db2.gz KFVLLZWQRUZQRU-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001089616424 1360536705 /nfs/dbraw/zinc/53/67/05/1360536705.db2.gz GVAPRMBVMMPNJT-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001089616424 1360536708 /nfs/dbraw/zinc/53/67/08/1360536708.db2.gz GVAPRMBVMMPNJT-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001089616424 1360536709 /nfs/dbraw/zinc/53/67/09/1360536709.db2.gz GVAPRMBVMMPNJT-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089663991 1360573916 /nfs/dbraw/zinc/57/39/16/1360573916.db2.gz BSXUDVZDPPUQEC-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP CC1(C)CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)[N@@H+](CC2CCC2)C1 ZINC001089665474 1360576121 /nfs/dbraw/zinc/57/61/21/1360576121.db2.gz XKCMGXZTMZSSCM-GOSISDBHSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC)o1 ZINC001089734811 1360639349 /nfs/dbraw/zinc/63/93/49/1360639349.db2.gz YGKVOOYOYPBCSJ-INIZCTEOSA-N 2 1 349.519 3.362 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001323990378 1387504970 /nfs/dbraw/zinc/50/49/70/1387504970.db2.gz IAPUMJVPWMNXOI-SNRMKQJTSA-N 2 1 331.504 3.429 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092302979 1361359048 /nfs/dbraw/zinc/35/90/48/1361359048.db2.gz LLDKDBIMNZRUMQ-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001092602611 1361419433 /nfs/dbraw/zinc/41/94/33/1361419433.db2.gz HLECPAPHWICXQA-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C ZINC001092602611 1361419437 /nfs/dbraw/zinc/41/94/37/1361419437.db2.gz HLECPAPHWICXQA-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C ZINC001092602611 1361419438 /nfs/dbraw/zinc/41/94/38/1361419438.db2.gz HLECPAPHWICXQA-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001092602601 1361420037 /nfs/dbraw/zinc/42/00/37/1361420037.db2.gz HDGFEMSYUSTGBH-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C ZINC001092602601 1361420039 /nfs/dbraw/zinc/42/00/39/1361420039.db2.gz HDGFEMSYUSTGBH-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C ZINC001092602601 1361420043 /nfs/dbraw/zinc/42/00/43/1361420043.db2.gz HDGFEMSYUSTGBH-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092736130 1361449536 /nfs/dbraw/zinc/44/95/36/1361449536.db2.gz MHKNPSRIWVPZOS-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001092736130 1361449539 /nfs/dbraw/zinc/44/95/39/1361449539.db2.gz MHKNPSRIWVPZOS-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001092736130 1361449543 /nfs/dbraw/zinc/44/95/43/1361449543.db2.gz MHKNPSRIWVPZOS-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094420313 1361794169 /nfs/dbraw/zinc/79/41/69/1361794169.db2.gz XNKWFBCUFGEMMV-XLBJILASSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094420313 1361794171 /nfs/dbraw/zinc/79/41/71/1361794171.db2.gz XNKWFBCUFGEMMV-XLBJILASSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094420313 1361794172 /nfs/dbraw/zinc/79/41/72/1361794172.db2.gz XNKWFBCUFGEMMV-XLBJILASSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001095404888 1362129732 /nfs/dbraw/zinc/12/97/32/1362129732.db2.gz DQKPLOOHFOXDIV-FYQPLNBISA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001095404888 1362129733 /nfs/dbraw/zinc/12/97/33/1362129733.db2.gz DQKPLOOHFOXDIV-FYQPLNBISA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001095404888 1362129735 /nfs/dbraw/zinc/12/97/35/1362129735.db2.gz DQKPLOOHFOXDIV-FYQPLNBISA-N 2 1 347.547 3.161 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001097075158 1362834385 /nfs/dbraw/zinc/83/43/85/1362834385.db2.gz QICZVHCIFZUHBK-QRVBRYPASA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097218819 1362890816 /nfs/dbraw/zinc/89/08/16/1362890816.db2.gz KMPRMUHLEYIUJR-YSTOQKLRSA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001097218819 1362890822 /nfs/dbraw/zinc/89/08/22/1362890822.db2.gz KMPRMUHLEYIUJR-YSTOQKLRSA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001097218819 1362890823 /nfs/dbraw/zinc/89/08/23/1362890823.db2.gz KMPRMUHLEYIUJR-YSTOQKLRSA-N 2 1 345.531 3.081 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCCC2)CC1 ZINC001097774833 1363118521 /nfs/dbraw/zinc/11/85/21/1363118521.db2.gz FSTWKSGMEIGWDY-AQNXPRMDSA-N 2 1 347.547 3.020 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001098137703 1363231245 /nfs/dbraw/zinc/23/12/45/1363231245.db2.gz SACQLPAYRBFFMT-AQNXPRMDSA-N 2 1 349.563 3.265 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001098464292 1363333575 /nfs/dbraw/zinc/33/35/75/1363333575.db2.gz VHBFEFPLGCOHSD-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001098464292 1363333576 /nfs/dbraw/zinc/33/35/76/1363333576.db2.gz VHBFEFPLGCOHSD-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001098464292 1363333581 /nfs/dbraw/zinc/33/35/81/1363333581.db2.gz VHBFEFPLGCOHSD-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001185120606 1387623037 /nfs/dbraw/zinc/62/30/37/1387623037.db2.gz ULCDECNOHZCETK-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCCC1CCCC1)C2 ZINC001098760965 1363459511 /nfs/dbraw/zinc/45/95/11/1363459511.db2.gz MVAMAWVMTIMYLP-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCCC1CCCC1)C2 ZINC001098760965 1363459514 /nfs/dbraw/zinc/45/95/14/1363459514.db2.gz MVAMAWVMTIMYLP-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC1CCCC1)C2 ZINC001098760965 1363459516 /nfs/dbraw/zinc/45/95/16/1363459516.db2.gz MVAMAWVMTIMYLP-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC1CCCC1)C2 ZINC001098760965 1363459518 /nfs/dbraw/zinc/45/95/18/1363459518.db2.gz MVAMAWVMTIMYLP-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP CC1CC(C[N@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001099106752 1363625196 /nfs/dbraw/zinc/62/51/96/1363625196.db2.gz NLKJYTLQPWRXCT-DAWZGUTISA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001099115651 1363632411 /nfs/dbraw/zinc/63/24/11/1363632411.db2.gz IZQKSFWPOYCHAT-MOPGFXCFSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115651 1363632413 /nfs/dbraw/zinc/63/24/13/1363632413.db2.gz IZQKSFWPOYCHAT-MOPGFXCFSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115651 1363632416 /nfs/dbraw/zinc/63/24/16/1363632416.db2.gz IZQKSFWPOYCHAT-MOPGFXCFSA-N 2 1 349.563 3.434 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC[C@@H](C)F ZINC001099131300 1363643448 /nfs/dbraw/zinc/64/34/48/1363643448.db2.gz ZQECGRMTMQCZGV-HZPDHXFCSA-N 2 1 343.531 3.072 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC[C@@H](C)F ZINC001099131300 1363643450 /nfs/dbraw/zinc/64/34/50/1363643450.db2.gz ZQECGRMTMQCZGV-HZPDHXFCSA-N 2 1 343.531 3.072 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC[C@@H](C)F ZINC001099131300 1363643454 /nfs/dbraw/zinc/64/34/54/1363643454.db2.gz ZQECGRMTMQCZGV-HZPDHXFCSA-N 2 1 343.531 3.072 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCC(C)C ZINC001099140257 1363649715 /nfs/dbraw/zinc/64/97/15/1363649715.db2.gz TUIBXYIHZMTKNF-GOSISDBHSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCC(C)C ZINC001099140257 1363649719 /nfs/dbraw/zinc/64/97/19/1363649719.db2.gz TUIBXYIHZMTKNF-GOSISDBHSA-N 2 1 348.535 3.235 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001099202704 1363690234 /nfs/dbraw/zinc/69/02/34/1363690234.db2.gz DYHNMUFFACUBJW-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1ccc(C[N@@H+]2CC(C)(C)CC[C@@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001099203417 1363691009 /nfs/dbraw/zinc/69/10/09/1363691009.db2.gz MPNPPJYXZIGECB-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCCC1)[NH+](C)C ZINC001099241358 1363709931 /nfs/dbraw/zinc/70/99/31/1363709931.db2.gz ZHLMIKOBHOWSLG-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339042 1363758590 /nfs/dbraw/zinc/75/85/90/1363758590.db2.gz CUPFOVBLUPKZPB-OOFWQKGWSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001099348025 1363764841 /nfs/dbraw/zinc/76/48/41/1363764841.db2.gz FITAFOMZIWULJS-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099355357 1363768998 /nfs/dbraw/zinc/76/89/98/1363768998.db2.gz ZPAJABGWBCWSNW-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099535515 1363837634 /nfs/dbraw/zinc/83/76/34/1363837634.db2.gz GXTCGEPBUYUSPB-YRPNKDGESA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CC)C1 ZINC001099543528 1363840696 /nfs/dbraw/zinc/84/06/96/1363840696.db2.gz HIBQNINDLZDODU-MUGJNUQGSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[N@H+](C)CC)C1 ZINC001099543528 1363840699 /nfs/dbraw/zinc/84/06/99/1363840699.db2.gz HIBQNINDLZDODU-MUGJNUQGSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[N@@H+](C)CC)C1 ZINC001099543528 1363840701 /nfs/dbraw/zinc/84/07/01/1363840701.db2.gz HIBQNINDLZDODU-MUGJNUQGSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099551649 1363844319 /nfs/dbraw/zinc/84/43/19/1363844319.db2.gz AQMWEFJSWRPMKE-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099551649 1363844325 /nfs/dbraw/zinc/84/43/25/1363844325.db2.gz AQMWEFJSWRPMKE-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CCC ZINC001099551649 1363844328 /nfs/dbraw/zinc/84/43/28/1363844328.db2.gz AQMWEFJSWRPMKE-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185224751 1387656258 /nfs/dbraw/zinc/65/62/58/1387656258.db2.gz HLYXQTIOEWVKHY-ZWKOTPCHSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185224780 1387656348 /nfs/dbraw/zinc/65/63/48/1387656348.db2.gz HPRLWSSDLHCMSI-ROUUACIJSA-N 2 1 348.535 3.127 20 0 EGADMP CCCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001100333125 1364082192 /nfs/dbraw/zinc/08/21/92/1364082192.db2.gz XFBDAIAIEJAVCU-XBMUEBEBSA-N 2 1 349.563 3.316 20 0 EGADMP CC/C=C/CC[NH2+]C1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001100346192 1364086869 /nfs/dbraw/zinc/08/68/69/1364086869.db2.gz VVJRTVMPTOXINV-PMHXKLBRSA-N 2 1 346.519 3.237 20 0 EGADMP CCCCCC[NH2+]C1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001100346035 1364086980 /nfs/dbraw/zinc/08/69/80/1364086980.db2.gz NAFXGTCOCAXKAE-WWDZGPRUSA-N 2 1 348.535 3.461 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]Cc2cc(C)ccc2C)C1 ZINC001100458665 1364121505 /nfs/dbraw/zinc/12/15/05/1364121505.db2.gz DTKZDNAXSUVXNJ-UHFFFAOYSA-N 2 1 345.531 3.018 20 0 EGADMP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001185306821 1387677286 /nfs/dbraw/zinc/67/72/86/1387677286.db2.gz NKVZAZYDEUHAEK-MJGOQNOKSA-N 2 1 346.519 3.012 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101239943 1364481875 /nfs/dbraw/zinc/48/18/75/1364481875.db2.gz KBYGEVNHNSLFGC-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474130 1364575504 /nfs/dbraw/zinc/57/55/04/1364575504.db2.gz IYPUFVJNWWJICW-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102060593 1364828623 /nfs/dbraw/zinc/82/86/23/1364828623.db2.gz HRFOYFNHZNXPOX-PFRNKHFKSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001102060593 1364828624 /nfs/dbraw/zinc/82/86/24/1364828624.db2.gz HRFOYFNHZNXPOX-PFRNKHFKSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001102060593 1364828626 /nfs/dbraw/zinc/82/86/26/1364828626.db2.gz HRFOYFNHZNXPOX-PFRNKHFKSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001324647137 1387717129 /nfs/dbraw/zinc/71/71/29/1387717129.db2.gz LUPOWIZCILXNEC-UWJYYQICSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001324647137 1387717130 /nfs/dbraw/zinc/71/71/30/1387717130.db2.gz LUPOWIZCILXNEC-UWJYYQICSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001324647137 1387717131 /nfs/dbraw/zinc/71/71/31/1387717131.db2.gz LUPOWIZCILXNEC-UWJYYQICSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001324648874 1387717323 /nfs/dbraw/zinc/71/73/23/1387717323.db2.gz XEKMZXQRJFZJMF-YLJYHZDGSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001324648874 1387717325 /nfs/dbraw/zinc/71/73/25/1387717325.db2.gz XEKMZXQRJFZJMF-YLJYHZDGSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001324648874 1387717326 /nfs/dbraw/zinc/71/73/26/1387717326.db2.gz XEKMZXQRJFZJMF-YLJYHZDGSA-N 2 1 339.568 3.227 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@H](CC)c2ccccc2)C[C@H]1C ZINC001102525851 1365099694 /nfs/dbraw/zinc/09/96/94/1365099694.db2.gz YAMNEOKVIWQTFX-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+]([C@H](CC)c2ccccc2)C[C@H]1C ZINC001102525851 1365099697 /nfs/dbraw/zinc/09/96/97/1365099697.db2.gz YAMNEOKVIWQTFX-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+]([C@H](CC)c2ccccc2)C[C@H]1C ZINC001102525851 1365099701 /nfs/dbraw/zinc/09/97/01/1365099701.db2.gz YAMNEOKVIWQTFX-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102600046 1365131241 /nfs/dbraw/zinc/13/12/41/1365131241.db2.gz JMGOIUCWVUZUTJ-MISYRCLQSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102600046 1365131246 /nfs/dbraw/zinc/13/12/46/1365131246.db2.gz JMGOIUCWVUZUTJ-MISYRCLQSA-N 2 1 345.531 3.020 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001102977217 1365324905 /nfs/dbraw/zinc/32/49/05/1365324905.db2.gz RCBFISHVFKZJTK-JCHUFIKGSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001102977217 1365324909 /nfs/dbraw/zinc/32/49/09/1365324909.db2.gz RCBFISHVFKZJTK-JCHUFIKGSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001102977217 1365324916 /nfs/dbraw/zinc/32/49/16/1365324916.db2.gz RCBFISHVFKZJTK-JCHUFIKGSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103085334 1365372858 /nfs/dbraw/zinc/37/28/58/1365372858.db2.gz QHNHBDGNZVQYGN-GGPKGHCWSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001103085334 1365372862 /nfs/dbraw/zinc/37/28/62/1365372862.db2.gz QHNHBDGNZVQYGN-GGPKGHCWSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001103085334 1365372865 /nfs/dbraw/zinc/37/28/65/1365372865.db2.gz QHNHBDGNZVQYGN-GGPKGHCWSA-N 2 1 349.563 3.124 20 0 EGADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC)C2)cc(Cl)c1O ZINC001324703064 1387743877 /nfs/dbraw/zinc/74/38/77/1387743877.db2.gz YWYFLUADOVYXQF-ZDUSSCGKSA-N 2 1 326.868 3.266 20 0 EGADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)cc(Cl)c1O ZINC001324703064 1387743882 /nfs/dbraw/zinc/74/38/82/1387743882.db2.gz YWYFLUADOVYXQF-ZDUSSCGKSA-N 2 1 326.868 3.266 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398561 1365535893 /nfs/dbraw/zinc/53/58/93/1365535893.db2.gz YMRFWPXPZOOLAH-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001103543944 1365624731 /nfs/dbraw/zinc/62/47/31/1365624731.db2.gz AYQOBOKQLGZBHO-GUDVDZBRSA-N 2 1 339.568 3.227 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001103612548 1365675908 /nfs/dbraw/zinc/67/59/08/1365675908.db2.gz IJFUOMYMDZCKFM-QWFCFKBJSA-N 2 1 345.531 3.164 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001103612548 1365675910 /nfs/dbraw/zinc/67/59/10/1365675910.db2.gz IJFUOMYMDZCKFM-QWFCFKBJSA-N 2 1 345.531 3.164 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001103612548 1365675913 /nfs/dbraw/zinc/67/59/13/1365675913.db2.gz IJFUOMYMDZCKFM-QWFCFKBJSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001104196089 1365948092 /nfs/dbraw/zinc/94/80/92/1365948092.db2.gz ILBRBFDUIBKLGJ-GUDVDZBRSA-N 2 1 349.563 3.124 20 0 EGADMP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001104211053 1365952687 /nfs/dbraw/zinc/95/26/87/1365952687.db2.gz PCLAWNNYOLELSV-APJDINJDSA-N 2 1 349.563 3.147 20 0 EGADMP CC(C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001104370070 1365991396 /nfs/dbraw/zinc/99/13/96/1365991396.db2.gz OMVBLJHLUQIJCN-IAGOWNOFSA-N 2 1 337.552 3.122 20 0 EGADMP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001104676345 1366127480 /nfs/dbraw/zinc/12/74/80/1366127480.db2.gz GBJSUFGRPSLVCP-PFRNKHFKSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001185764341 1387792994 /nfs/dbraw/zinc/79/29/94/1387792994.db2.gz YHEHGKJHVIRBCV-IDPBEMBBSA-N 2 1 337.552 3.147 20 0 EGADMP CCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001105067404 1366304292 /nfs/dbraw/zinc/30/42/92/1366304292.db2.gz ZFUPDHRMLWWVGW-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105517815 1366505000 /nfs/dbraw/zinc/50/50/00/1366505000.db2.gz KIEURNBPEQWQMR-OALUTQOASA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001106340196 1366660710 /nfs/dbraw/zinc/66/07/10/1366660710.db2.gz ORPMGPHPHIMWMA-IEBWSBKVSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001106729744 1366783122 /nfs/dbraw/zinc/78/31/22/1366783122.db2.gz XNLJQEABENDMCH-PFRNKHFKSA-N 2 1 349.563 3.290 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)c2cccc(C)c2)[C@H](C)C1 ZINC001106839617 1366813255 /nfs/dbraw/zinc/81/32/55/1366813255.db2.gz LJODOILDQSTEFN-QWFCFKBJSA-N 2 1 345.531 3.082 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)c1 ZINC001107042504 1366863625 /nfs/dbraw/zinc/86/36/25/1366863625.db2.gz PHQLFXPZAPKKPT-QWFCFKBJSA-N 2 1 345.531 3.080 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107435790 1366962773 /nfs/dbraw/zinc/96/27/73/1366962773.db2.gz AFRNOSWNIWZZOM-QKNQBKEWSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107435790 1366962775 /nfs/dbraw/zinc/96/27/75/1366962775.db2.gz AFRNOSWNIWZZOM-QKNQBKEWSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001107435790 1366962776 /nfs/dbraw/zinc/96/27/76/1366962776.db2.gz AFRNOSWNIWZZOM-QKNQBKEWSA-N 2 1 349.563 3.410 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107450532 1366967884 /nfs/dbraw/zinc/96/78/84/1366967884.db2.gz KHUJBOVAEVUDEP-PVGIVHLXSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001107450532 1366967886 /nfs/dbraw/zinc/96/78/86/1366967886.db2.gz KHUJBOVAEVUDEP-PVGIVHLXSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001107450532 1366967887 /nfs/dbraw/zinc/96/78/87/1366967887.db2.gz KHUJBOVAEVUDEP-PVGIVHLXSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)(C)C)CC2 ZINC001107524039 1367017815 /nfs/dbraw/zinc/01/78/15/1367017815.db2.gz DOBLPEPEDMJWBP-YLJYHZDGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530757 1367022731 /nfs/dbraw/zinc/02/27/31/1367022731.db2.gz KDTWDLXIZSDLJZ-CWHLKURSSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107568014 1367048320 /nfs/dbraw/zinc/04/83/20/1367048320.db2.gz RGZFFRCOBFECGX-YFVAEKQCSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107587669 1367059408 /nfs/dbraw/zinc/05/94/08/1367059408.db2.gz UUBWJAIDNNSUCF-TZIWHRDSSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCC1)CC2 ZINC001107616228 1367074372 /nfs/dbraw/zinc/07/43/72/1367074372.db2.gz YMGVHZQDDZXQCZ-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2 ZINC001107616228 1367074377 /nfs/dbraw/zinc/07/43/77/1367074377.db2.gz YMGVHZQDDZXQCZ-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2 ZINC001107616228 1367074384 /nfs/dbraw/zinc/07/43/84/1367074384.db2.gz YMGVHZQDDZXQCZ-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107645440 1367090572 /nfs/dbraw/zinc/09/05/72/1367090572.db2.gz YTDKHDXWKXTXIL-UYAOXDASSA-N 2 1 335.536 3.023 20 0 EGADMP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001109402395 1367105521 /nfs/dbraw/zinc/10/55/21/1367105521.db2.gz PODPNBROKOFYGD-OWSLCNJRSA-N 2 1 344.503 3.062 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001109402395 1367105526 /nfs/dbraw/zinc/10/55/26/1367105526.db2.gz PODPNBROKOFYGD-OWSLCNJRSA-N 2 1 344.503 3.062 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21 ZINC001189871359 1367121543 /nfs/dbraw/zinc/12/15/43/1367121543.db2.gz LKSDXTGCGGYYGK-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCCC2)C1 ZINC001190084749 1367168731 /nfs/dbraw/zinc/16/87/31/1367168731.db2.gz RQSVSHRTPRPJNR-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001190084749 1367168736 /nfs/dbraw/zinc/16/87/36/1367168736.db2.gz RQSVSHRTPRPJNR-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001190084749 1367168744 /nfs/dbraw/zinc/16/87/44/1367168744.db2.gz RQSVSHRTPRPJNR-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672569 1367275078 /nfs/dbraw/zinc/27/50/78/1367275078.db2.gz KRRIGVNNPZDBIL-ZSGPHXLJSA-N 2 1 349.906 3.074 20 0 EGADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccsc1)[NH+](CC)CC ZINC001109714661 1367290466 /nfs/dbraw/zinc/29/04/66/1367290466.db2.gz RVNRMZIHALWOGA-XDNAFOTISA-N 2 1 349.544 3.090 20 0 EGADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccsc1)[NH+](CC)CC ZINC001109714661 1367290470 /nfs/dbraw/zinc/29/04/70/1367290470.db2.gz RVNRMZIHALWOGA-XDNAFOTISA-N 2 1 349.544 3.090 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109719067 1367291966 /nfs/dbraw/zinc/29/19/66/1367291966.db2.gz TVDPWELPIPIXPV-BDXSIMOUSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001109719067 1367291970 /nfs/dbraw/zinc/29/19/70/1367291970.db2.gz TVDPWELPIPIXPV-BDXSIMOUSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001109719067 1367291973 /nfs/dbraw/zinc/29/19/73/1367291973.db2.gz TVDPWELPIPIXPV-BDXSIMOUSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724434 1367293566 /nfs/dbraw/zinc/29/35/66/1367293566.db2.gz SBGVPMSHJXOKOY-SQNIBIBYSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109724434 1367293570 /nfs/dbraw/zinc/29/35/70/1367293570.db2.gz SBGVPMSHJXOKOY-SQNIBIBYSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109724434 1367293572 /nfs/dbraw/zinc/29/35/72/1367293572.db2.gz SBGVPMSHJXOKOY-SQNIBIBYSA-N 2 1 337.552 3.122 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190657063 1367319619 /nfs/dbraw/zinc/31/96/19/1367319619.db2.gz YHBNMJYWGZKIQM-UNQUKWGNSA-N 2 1 347.547 3.282 20 0 EGADMP CC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190657063 1367319626 /nfs/dbraw/zinc/31/96/26/1367319626.db2.gz YHBNMJYWGZKIQM-UNQUKWGNSA-N 2 1 347.547 3.282 20 0 EGADMP CC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190657063 1367319628 /nfs/dbraw/zinc/31/96/28/1367319628.db2.gz YHBNMJYWGZKIQM-UNQUKWGNSA-N 2 1 347.547 3.282 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798452 1367329075 /nfs/dbraw/zinc/32/90/75/1367329075.db2.gz HEJRUIMBZWYDPJ-ZOYAEOFMSA-N 2 1 347.547 3.186 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190890351 1367375540 /nfs/dbraw/zinc/37/55/40/1367375540.db2.gz PTXVVZHVQQMJGY-UEKDZROGSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109880012 1367379042 /nfs/dbraw/zinc/37/90/42/1367379042.db2.gz WYEKZWVWLLQVRV-YRPNKDGESA-N 2 1 349.563 3.122 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)(C)CC1 ZINC001110016389 1367459477 /nfs/dbraw/zinc/45/94/77/1367459477.db2.gz LUKGDXNNACUUBG-QYZOEREBSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC(C)(C)CC1 ZINC001110016389 1367459481 /nfs/dbraw/zinc/45/94/81/1367459481.db2.gz LUKGDXNNACUUBG-QYZOEREBSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC(C)(C)CC1 ZINC001110016389 1367459484 /nfs/dbraw/zinc/45/94/84/1367459484.db2.gz LUKGDXNNACUUBG-QYZOEREBSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191541731 1367524462 /nfs/dbraw/zinc/52/44/62/1367524462.db2.gz BLKHRPLDPHCQTF-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153622 1367527477 /nfs/dbraw/zinc/52/74/77/1367527477.db2.gz DHFYNGRSQNCMEW-HILSMNSFSA-N 2 1 347.547 3.330 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccsc3)C2)CCCC1 ZINC001191561493 1367528575 /nfs/dbraw/zinc/52/85/75/1367528575.db2.gz PBKXTZOZXFHSSH-QGZVFWFLSA-N 2 1 349.544 3.045 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001110159914 1367532588 /nfs/dbraw/zinc/53/25/88/1367532588.db2.gz ZQXJRZNERAVDNP-QYZOEREBSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001110159914 1367532592 /nfs/dbraw/zinc/53/25/92/1367532592.db2.gz ZQXJRZNERAVDNP-QYZOEREBSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001110159914 1367532594 /nfs/dbraw/zinc/53/25/94/1367532594.db2.gz ZQXJRZNERAVDNP-QYZOEREBSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCC2)C1)[NH+](CC)CC ZINC001192323047 1367751428 /nfs/dbraw/zinc/75/14/28/1367751428.db2.gz AAIXQHKJDSCAAC-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110544824 1367822151 /nfs/dbraw/zinc/82/21/51/1367822151.db2.gz HGKBEZSLIUBUOL-CQELEZKQSA-N 2 1 347.547 3.327 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110544824 1367822154 /nfs/dbraw/zinc/82/21/54/1367822154.db2.gz HGKBEZSLIUBUOL-CQELEZKQSA-N 2 1 347.547 3.327 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001110544824 1367822157 /nfs/dbraw/zinc/82/21/57/1367822157.db2.gz HGKBEZSLIUBUOL-CQELEZKQSA-N 2 1 347.547 3.327 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001192596083 1367828349 /nfs/dbraw/zinc/82/83/49/1367828349.db2.gz MKLCNBYROHFMNM-QGZVFWFLSA-N 2 1 348.535 3.366 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001192596083 1367828356 /nfs/dbraw/zinc/82/83/56/1367828356.db2.gz MKLCNBYROHFMNM-QGZVFWFLSA-N 2 1 348.535 3.366 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671363 1367846207 /nfs/dbraw/zinc/84/62/07/1367846207.db2.gz IVIQZVPREIIVMN-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192671363 1367846210 /nfs/dbraw/zinc/84/62/10/1367846210.db2.gz IVIQZVPREIIVMN-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192671363 1367846213 /nfs/dbraw/zinc/84/62/13/1367846213.db2.gz IVIQZVPREIIVMN-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671362 1367846698 /nfs/dbraw/zinc/84/66/98/1367846698.db2.gz IVIQZVPREIIVMN-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192671362 1367846704 /nfs/dbraw/zinc/84/67/04/1367846704.db2.gz IVIQZVPREIIVMN-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192671362 1367846709 /nfs/dbraw/zinc/84/67/09/1367846709.db2.gz IVIQZVPREIIVMN-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([N@@H+](C)C[C@H](C)CC(C)C)C1 ZINC001192859401 1367890003 /nfs/dbraw/zinc/89/00/03/1367890003.db2.gz XDEDQADJBRWCOV-IEBWSBKVSA-N 2 1 348.535 3.187 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([N@H+](C)C[C@H](C)CC(C)C)C1 ZINC001192859401 1367890008 /nfs/dbraw/zinc/89/00/08/1367890008.db2.gz XDEDQADJBRWCOV-IEBWSBKVSA-N 2 1 348.535 3.187 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC001192857958 1367890463 /nfs/dbraw/zinc/89/04/63/1367890463.db2.gz MXYWXEUFNNFMCH-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001192857958 1367890468 /nfs/dbraw/zinc/89/04/68/1367890468.db2.gz MXYWXEUFNNFMCH-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110661094 1367903650 /nfs/dbraw/zinc/90/36/50/1367903650.db2.gz MRHPNRFZSDYUPI-NMLBUPMWSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001110661094 1367903652 /nfs/dbraw/zinc/90/36/52/1367903652.db2.gz MRHPNRFZSDYUPI-NMLBUPMWSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001110661094 1367903654 /nfs/dbraw/zinc/90/36/54/1367903654.db2.gz MRHPNRFZSDYUPI-NMLBUPMWSA-N 2 1 349.563 3.266 20 0 EGADMP CC1CC[NH+](CC(=O)N2CC[C@H]([N@@H+](C)CCCC3CCCC3)C2)CC1 ZINC001193025827 1367926270 /nfs/dbraw/zinc/92/62/70/1367926270.db2.gz GVGLCXHVQNFEEW-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@@H+](C)CCC(C)C)C1 ZINC001193423502 1368025436 /nfs/dbraw/zinc/02/54/36/1368025436.db2.gz AYHNIJRSWGTEDL-IBGZPJMESA-N 2 1 339.568 3.467 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](F)CC)C1 ZINC001193424475 1368026479 /nfs/dbraw/zinc/02/64/79/1368026479.db2.gz MNCFJFGGEGUTRV-ZWKOTPCHSA-N 2 1 343.531 3.169 20 0 EGADMP C[C@H](c1ccccc1F)[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193559014 1368061054 /nfs/dbraw/zinc/06/10/54/1368061054.db2.gz GOCMNQQIQYVRHS-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC001193570759 1368064749 /nfs/dbraw/zinc/06/47/49/1368064749.db2.gz MQGSPFATSXLIPZ-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001111097046 1368158726 /nfs/dbraw/zinc/15/87/26/1368158726.db2.gz ICTRVKKYOVXOPF-NMLBUPMWSA-N 2 1 349.563 3.409 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001111150198 1368165939 /nfs/dbraw/zinc/16/59/39/1368165939.db2.gz JPBZKQONKRKLBC-KURKYZTESA-N 2 1 346.519 3.129 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001111150198 1368165943 /nfs/dbraw/zinc/16/59/43/1368165943.db2.gz JPBZKQONKRKLBC-KURKYZTESA-N 2 1 346.519 3.129 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245441 1368216438 /nfs/dbraw/zinc/21/64/38/1368216438.db2.gz AIXWLZIWIBTZCA-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245530 1368216577 /nfs/dbraw/zinc/21/65/77/1368216577.db2.gz BVNKFMFDJPZSQM-VOFKWLDRSA-N 2 1 335.536 3.142 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001111309518 1368263164 /nfs/dbraw/zinc/26/31/64/1368263164.db2.gz SBHVQGSCCMOTRY-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001111309518 1368263166 /nfs/dbraw/zinc/26/31/66/1368263166.db2.gz SBHVQGSCCMOTRY-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001111309518 1368263174 /nfs/dbraw/zinc/26/31/74/1368263174.db2.gz SBHVQGSCCMOTRY-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782540 1368460344 /nfs/dbraw/zinc/46/03/44/1368460344.db2.gz NBVURBDQDWOCPO-BJLQDIEVSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001111782540 1368460346 /nfs/dbraw/zinc/46/03/46/1368460346.db2.gz NBVURBDQDWOCPO-BJLQDIEVSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001111782540 1368460349 /nfs/dbraw/zinc/46/03/49/1368460349.db2.gz NBVURBDQDWOCPO-BJLQDIEVSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001195853460 1368504526 /nfs/dbraw/zinc/50/45/26/1368504526.db2.gz JMMGJDFPWGQDCD-UHFFFAOYSA-N 2 1 337.552 3.366 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001111851460 1368505679 /nfs/dbraw/zinc/50/56/79/1368505679.db2.gz AYTIGLGYUVDGBH-KHPHJJPSSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001111851460 1368505688 /nfs/dbraw/zinc/50/56/88/1368505688.db2.gz AYTIGLGYUVDGBH-KHPHJJPSSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001111851460 1368505694 /nfs/dbraw/zinc/50/56/94/1368505694.db2.gz AYTIGLGYUVDGBH-KHPHJJPSSA-N 2 1 347.547 3.044 20 0 EGADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1CCCCCC1)C2 ZINC001111862617 1368512356 /nfs/dbraw/zinc/51/23/56/1368512356.db2.gz VTLQUVIJFOVSBU-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[C@@H]([NH+](C)CCc2ccccc2)C1 ZINC001195902770 1368513843 /nfs/dbraw/zinc/51/38/43/1368513843.db2.gz OPXRZOOMPMMTBS-YADHBBJMSA-N 2 1 343.559 3.498 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC001195902770 1368513844 /nfs/dbraw/zinc/51/38/44/1368513844.db2.gz OPXRZOOMPMMTBS-YADHBBJMSA-N 2 1 343.559 3.498 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC001195902770 1368513848 /nfs/dbraw/zinc/51/38/48/1368513848.db2.gz OPXRZOOMPMMTBS-YADHBBJMSA-N 2 1 343.559 3.498 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001111873053 1368520150 /nfs/dbraw/zinc/52/01/50/1368520150.db2.gz HLOUXHQDJOORPQ-MVRCGGMCSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001111873053 1368520153 /nfs/dbraw/zinc/52/01/53/1368520153.db2.gz HLOUXHQDJOORPQ-MVRCGGMCSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001111873053 1368520157 /nfs/dbraw/zinc/52/01/57/1368520157.db2.gz HLOUXHQDJOORPQ-MVRCGGMCSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001196163209 1368560219 /nfs/dbraw/zinc/56/02/19/1368560219.db2.gz IXSUXWCPUUGWNK-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001196163209 1368560224 /nfs/dbraw/zinc/56/02/24/1368560224.db2.gz IXSUXWCPUUGWNK-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001196163209 1368560225 /nfs/dbraw/zinc/56/02/25/1368560225.db2.gz IXSUXWCPUUGWNK-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC1CCCC1)C2 ZINC001111952342 1368572591 /nfs/dbraw/zinc/57/25/91/1368572591.db2.gz DDKIIRKZMJSVSH-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC1CCCC1)C2 ZINC001111952342 1368572597 /nfs/dbraw/zinc/57/25/97/1368572597.db2.gz DDKIIRKZMJSVSH-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC1CCCC1)C2 ZINC001111952342 1368572601 /nfs/dbraw/zinc/57/26/01/1368572601.db2.gz DDKIIRKZMJSVSH-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC001196242501 1368574640 /nfs/dbraw/zinc/57/46/40/1368574640.db2.gz KAYJYWBBGAWGPN-ZMBJWTFHSA-N 2 1 346.519 3.361 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001196935296 1368716027 /nfs/dbraw/zinc/71/60/27/1368716027.db2.gz OGCRAJRNZXBKLG-KRWDZBQOSA-N 2 1 349.519 3.171 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001196935296 1368716029 /nfs/dbraw/zinc/71/60/29/1368716029.db2.gz OGCRAJRNZXBKLG-KRWDZBQOSA-N 2 1 349.519 3.171 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196944126 1368718346 /nfs/dbraw/zinc/71/83/46/1368718346.db2.gz YQPJYOLCDHEMPV-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP C[C@H]1CCC[C@H](CC[N@H+]2CCCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001196962915 1368721778 /nfs/dbraw/zinc/72/17/78/1368721778.db2.gz LDPOTGWDOJPHLN-RBUKOAKNSA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCCN(C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001197125857 1368750078 /nfs/dbraw/zinc/75/00/78/1368750078.db2.gz NATJSJVPZKEOHA-SJORKVTESA-N 2 1 346.519 3.046 20 0 EGADMP CCC(CC)C[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197484646 1368824318 /nfs/dbraw/zinc/82/43/18/1368824318.db2.gz HNZUODMNMGVNSH-IBGZPJMESA-N 2 1 339.568 3.323 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001197660253 1368867468 /nfs/dbraw/zinc/86/74/68/1368867468.db2.gz YHTRZNCMJUJZHZ-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[NH+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001197691364 1368873788 /nfs/dbraw/zinc/87/37/88/1368873788.db2.gz HBDAZUJIFXDVKW-RBUKOAKNSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[N@H+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001197691364 1368873793 /nfs/dbraw/zinc/87/37/93/1368873793.db2.gz HBDAZUJIFXDVKW-RBUKOAKNSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[N@@H+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001197691364 1368873798 /nfs/dbraw/zinc/87/37/98/1368873798.db2.gz HBDAZUJIFXDVKW-RBUKOAKNSA-N 2 1 337.552 3.079 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001197809790 1368903830 /nfs/dbraw/zinc/90/38/30/1368903830.db2.gz INEBUUNWERLDPS-NHQAVIFJSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001112529597 1368915883 /nfs/dbraw/zinc/91/58/83/1368915883.db2.gz HAADWLJCXXUAPH-XQMISQMHSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@H+](C)CCC(=O)N1CCC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC001197899521 1368921831 /nfs/dbraw/zinc/92/18/31/1368921831.db2.gz ZQBGFPOBIHRILC-QGZVFWFLSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC001197899521 1368921832 /nfs/dbraw/zinc/92/18/32/1368921832.db2.gz ZQBGFPOBIHRILC-QGZVFWFLSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@H](C)c2ccccc2F)CC1 ZINC001197899521 1368921833 /nfs/dbraw/zinc/92/18/33/1368921833.db2.gz ZQBGFPOBIHRILC-QGZVFWFLSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@H+]([C@H](C)c2ccccc2F)CC1 ZINC001197899521 1368921838 /nfs/dbraw/zinc/92/18/38/1368921838.db2.gz ZQBGFPOBIHRILC-QGZVFWFLSA-N 2 1 349.494 3.153 20 0 EGADMP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001112563041 1368929572 /nfs/dbraw/zinc/92/95/72/1368929572.db2.gz CEVMFXDSACQLSH-DYXWJJEUSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001198244195 1368987857 /nfs/dbraw/zinc/98/78/57/1368987857.db2.gz UPIDXMXVPNLBEB-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001112966166 1369113243 /nfs/dbraw/zinc/11/32/43/1369113243.db2.gz UPCOJOJGOORZBX-RURPWVQCSA-N 2 1 335.536 3.140 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[NH+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001113032674 1369153462 /nfs/dbraw/zinc/15/34/62/1369153462.db2.gz AQEGQWWQCAVVAV-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001113252375 1369293487 /nfs/dbraw/zinc/29/34/87/1369293487.db2.gz LQILFNNDJWROLU-IBGZPJMESA-N 2 1 335.536 3.118 20 0 EGADMP CCCCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001113252375 1369293493 /nfs/dbraw/zinc/29/34/93/1369293493.db2.gz LQILFNNDJWROLU-IBGZPJMESA-N 2 1 335.536 3.118 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001200507746 1369382818 /nfs/dbraw/zinc/38/28/18/1369382818.db2.gz QKXARTHIYZHGFK-GHOSXJJBSA-N 2 1 335.536 3.186 20 0 EGADMP CCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001200577868 1369393236 /nfs/dbraw/zinc/39/32/36/1369393236.db2.gz IPVXHZCLJODIDI-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001113439732 1369429974 /nfs/dbraw/zinc/42/99/74/1369429974.db2.gz QMRJLULHDOZZEY-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC/C=C/CC[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001201044074 1369470779 /nfs/dbraw/zinc/47/07/79/1369470779.db2.gz PBDWKLKYNFYKMB-UEKDZROGSA-N 2 1 335.536 3.186 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001201321786 1369518913 /nfs/dbraw/zinc/51/89/13/1369518913.db2.gz WEOFSDGZGYQXDF-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001201400753 1369537171 /nfs/dbraw/zinc/53/71/71/1369537171.db2.gz TYUCRXPWGZXZPM-ROUKRRSUSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)(C)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001201434982 1369545499 /nfs/dbraw/zinc/54/54/99/1369545499.db2.gz NOHPNVJBARARLM-FPOVZHCZSA-N 2 1 334.548 3.493 20 0 EGADMP CC(C)(C)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201434982 1369545501 /nfs/dbraw/zinc/54/55/01/1369545501.db2.gz NOHPNVJBARARLM-FPOVZHCZSA-N 2 1 334.548 3.493 20 0 EGADMP CC(C)(C)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201434982 1369545506 /nfs/dbraw/zinc/54/55/06/1369545506.db2.gz NOHPNVJBARARLM-FPOVZHCZSA-N 2 1 334.548 3.493 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001325605991 1388010039 /nfs/dbraw/zinc/01/00/39/1388010039.db2.gz ILLRBDGEHIHWED-OYNPSCLESA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1N(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001325605991 1388010041 /nfs/dbraw/zinc/01/00/41/1388010041.db2.gz ILLRBDGEHIHWED-OYNPSCLESA-N 2 1 329.532 3.359 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001201505518 1369558527 /nfs/dbraw/zinc/55/85/27/1369558527.db2.gz ZVNNBWQXWZZRPF-HKUYNNGSSA-N 2 1 331.504 3.183 20 0 EGADMP Cc1nc(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)s1 ZINC001201634795 1369594778 /nfs/dbraw/zinc/59/47/78/1369594778.db2.gz SEURAJWHFKJFGU-SFHVURJKSA-N 2 1 345.512 3.006 20 0 EGADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCCc3ccccc3)C2)C1 ZINC001201661856 1369600363 /nfs/dbraw/zinc/60/03/63/1369600363.db2.gz UWFUOQGSWRLFJL-FGZHOGPDSA-N 2 1 342.527 3.300 20 0 EGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](CCCc3ccccc3)C2)C1 ZINC001201661856 1369600370 /nfs/dbraw/zinc/60/03/70/1369600370.db2.gz UWFUOQGSWRLFJL-FGZHOGPDSA-N 2 1 342.527 3.300 20 0 EGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](CCCc3ccccc3)C2)C1 ZINC001201661856 1369600374 /nfs/dbraw/zinc/60/03/74/1369600374.db2.gz UWFUOQGSWRLFJL-FGZHOGPDSA-N 2 1 342.527 3.300 20 0 EGADMP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](CCCC(F)(F)F)CC3)n1 ZINC001202416021 1369766528 /nfs/dbraw/zinc/76/65/28/1369766528.db2.gz RHYCIDOJBSPVEE-UHFFFAOYSA-N 2 1 344.425 3.193 20 0 EGADMP Cn1ccc(C[N@H+]2CCCC23CC[NH+](CCCC(F)(F)F)CC3)n1 ZINC001202416021 1369766539 /nfs/dbraw/zinc/76/65/39/1369766539.db2.gz RHYCIDOJBSPVEE-UHFFFAOYSA-N 2 1 344.425 3.193 20 0 EGADMP CCC(CC)C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001202872520 1369914399 /nfs/dbraw/zinc/91/43/99/1369914399.db2.gz HGBSIYUHDIFCEJ-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001114626691 1369999316 /nfs/dbraw/zinc/99/93/16/1369999316.db2.gz KARHRXUQFJRGCA-ITZQATRGSA-N 2 1 347.547 3.044 20 0 EGADMP CCc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)on1 ZINC001203220192 1370030216 /nfs/dbraw/zinc/03/02/16/1370030216.db2.gz QTMZJERKPTWYFS-UHFFFAOYSA-N 2 1 329.444 3.318 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCCCF)C1)c1ccccc1 ZINC001187035147 1388043389 /nfs/dbraw/zinc/04/33/89/1388043389.db2.gz VVGAWKHSNLJYLQ-RTBURBONSA-N 2 1 349.494 3.010 20 0 EGADMP c1coc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001203276981 1370057878 /nfs/dbraw/zinc/05/78/78/1370057878.db2.gz LFLNUCRDJYBFJH-UHFFFAOYSA-N 2 1 332.469 3.208 20 0 EGADMP c1coc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001203276981 1370057882 /nfs/dbraw/zinc/05/78/82/1370057882.db2.gz LFLNUCRDJYBFJH-UHFFFAOYSA-N 2 1 332.469 3.208 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+][C@@H](CC)c2ccc(F)cc2)CC1 ZINC001203459885 1370133573 /nfs/dbraw/zinc/13/35/73/1370133573.db2.gz LBLFNUHXAJJUFT-IBGZPJMESA-N 2 1 349.494 3.199 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203632777 1370194336 /nfs/dbraw/zinc/19/43/36/1370194336.db2.gz VGUJYPFTBVQBJJ-YMHTTXFNSA-N 2 1 349.563 3.482 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203641641 1370198701 /nfs/dbraw/zinc/19/87/01/1370198701.db2.gz SQQTXXDUONSMQC-IBQUMJASSA-N 2 1 335.536 3.092 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203652727 1370203168 /nfs/dbraw/zinc/20/31/68/1370203168.db2.gz XAECORGTBFPLJY-OALUTQOASA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203791327 1370266016 /nfs/dbraw/zinc/26/60/16/1370266016.db2.gz HGZODZGGKOHNFH-MOPGFXCFSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203791328 1370266328 /nfs/dbraw/zinc/26/63/28/1370266328.db2.gz HGZODZGGKOHNFH-OALUTQOASA-N 2 1 349.563 3.314 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001115104004 1370281169 /nfs/dbraw/zinc/28/11/69/1370281169.db2.gz QBCTZOUKFXIABF-WCIQWLHISA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001115104004 1370281172 /nfs/dbraw/zinc/28/11/72/1370281172.db2.gz QBCTZOUKFXIABF-WCIQWLHISA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001115104004 1370281173 /nfs/dbraw/zinc/28/11/73/1370281173.db2.gz QBCTZOUKFXIABF-WCIQWLHISA-N 2 1 349.563 3.268 20 0 EGADMP COc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001203952883 1370327351 /nfs/dbraw/zinc/32/73/51/1370327351.db2.gz FJWZZKBQXGVHRU-IAGOWNOFSA-N 2 1 328.481 3.321 20 0 EGADMP CC(C)(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCCC1 ZINC001115249803 1370344509 /nfs/dbraw/zinc/34/45/09/1370344509.db2.gz NCEYAVDYHVPTRS-RUYXUALKSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH+]1CCC([N@H+](C)Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC001204126454 1370384038 /nfs/dbraw/zinc/38/40/38/1370384038.db2.gz ARDGOHKWWLXAAT-UHFFFAOYSA-N 2 1 336.476 3.106 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC001204126454 1370384044 /nfs/dbraw/zinc/38/40/44/1370384044.db2.gz ARDGOHKWWLXAAT-UHFFFAOYSA-N 2 1 336.476 3.106 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC001204269101 1370427715 /nfs/dbraw/zinc/42/77/15/1370427715.db2.gz UOHCWXZMASUVRS-OAHLLOKOSA-N 2 1 330.394 3.401 20 0 EGADMP CC[N@H+](CCN1CCCCC1)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204270040 1370428186 /nfs/dbraw/zinc/42/81/86/1370428186.db2.gz OBWVRHVJOAYUAE-UHFFFAOYSA-N 2 1 347.547 3.325 20 0 EGADMP CC[N@@H+](CCN1CCCCC1)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204270040 1370428187 /nfs/dbraw/zinc/42/81/87/1370428187.db2.gz OBWVRHVJOAYUAE-UHFFFAOYSA-N 2 1 347.547 3.325 20 0 EGADMP CCCCCCOc1ccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)cc1 ZINC001204366000 1370454954 /nfs/dbraw/zinc/45/49/54/1370454954.db2.gz FNQXUGFAZUDQNM-UHFFFAOYSA-N 2 1 347.547 3.325 20 0 EGADMP CC1CCC(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@H+]3C)CCCCC2)CC1 ZINC001115451035 1370459250 /nfs/dbraw/zinc/45/92/50/1370459250.db2.gz YHCBTDJZMGKSQE-CTWPCTMYSA-N 2 1 349.563 3.316 20 0 EGADMP COc1cc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)ccc1F ZINC001204557535 1370514464 /nfs/dbraw/zinc/51/44/64/1370514464.db2.gz NJOSINPFLGMDDE-UHFFFAOYSA-N 2 1 329.419 3.277 20 0 EGADMP COc1cc(F)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1Cl ZINC001204748399 1370564524 /nfs/dbraw/zinc/56/45/24/1370564524.db2.gz KMRUGKWJKJYSOD-UHFFFAOYSA-N 2 1 326.843 3.453 20 0 EGADMP Cc1ccc(OCc2ccccc2)c(C[N@@H+]2CCO[C@H](CC[NH3+])C2)c1 ZINC001204756151 1370567995 /nfs/dbraw/zinc/56/79/95/1370567995.db2.gz MBNNSGYBEMGBCY-HXUWFJFHSA-N 2 1 340.467 3.124 20 0 EGADMP Cc1ccc(OCc2ccccc2)c(C[N@H+]2CCO[C@H](CC[NH3+])C2)c1 ZINC001204756151 1370568000 /nfs/dbraw/zinc/56/80/00/1370568000.db2.gz MBNNSGYBEMGBCY-HXUWFJFHSA-N 2 1 340.467 3.124 20 0 EGADMP [NH3+]CC[C@@H]1C[N@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CCO1 ZINC001204757242 1370569038 /nfs/dbraw/zinc/56/90/38/1370569038.db2.gz XFCRPZUDZNCTCK-LJQANCHMSA-N 2 1 330.403 3.168 20 0 EGADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CCO1 ZINC001204757242 1370569045 /nfs/dbraw/zinc/56/90/45/1370569045.db2.gz XFCRPZUDZNCTCK-LJQANCHMSA-N 2 1 330.403 3.168 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCCCCF)CCCCC1 ZINC001115598203 1370598226 /nfs/dbraw/zinc/59/82/26/1370598226.db2.gz KMGNJXLRBYMKGU-QGZVFWFLSA-N 2 1 341.515 3.019 20 0 EGADMP C[C@@H]1CN(C[C@@H]2Cc3ccccc3C[NH2+]2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001204897457 1370599304 /nfs/dbraw/zinc/59/93/04/1370599304.db2.gz ZBFMMZIPDIAMBI-MSYCTHLASA-N 2 1 349.522 3.296 20 0 EGADMP C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]C3)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001204895824 1370599879 /nfs/dbraw/zinc/59/98/79/1370599879.db2.gz DGGILTRMBPHINE-MSOLQXFVSA-N 2 1 335.495 3.385 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2Cl)CC1 ZINC001205241771 1370692025 /nfs/dbraw/zinc/69/20/25/1370692025.db2.gz VNVDRNJHSKRPSU-AWEZNQCLSA-N 2 1 337.678 3.323 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2Cl)CC1 ZINC001205241771 1370692028 /nfs/dbraw/zinc/69/20/28/1370692028.db2.gz VNVDRNJHSKRPSU-AWEZNQCLSA-N 2 1 337.678 3.323 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCC1([NH2+]Cc2ccccc2)CCCCC1 ZINC001115729346 1370710790 /nfs/dbraw/zinc/71/07/90/1370710790.db2.gz BNCLBWFBGXIVES-SFHVURJKSA-N 2 1 343.515 3.080 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CCC3CCCC3)CCCCC2)C1 ZINC001115729632 1370710806 /nfs/dbraw/zinc/71/08/06/1370710806.db2.gz NHMGHRWEENUTCB-SFHVURJKSA-N 2 1 349.563 3.317 20 0 EGADMP CCCCCC[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@@H]2C)CCCCC1 ZINC001115729839 1370711928 /nfs/dbraw/zinc/71/19/28/1370711928.db2.gz UVOYYKGBORVXHX-SFHVURJKSA-N 2 1 337.552 3.460 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CCC(C)(C)C)CCCCC2)C1 ZINC001115729854 1370712246 /nfs/dbraw/zinc/71/22/46/1370712246.db2.gz VKILTLULIVDQAD-KRWDZBQOSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(C)c1Br ZINC001205304332 1370713860 /nfs/dbraw/zinc/71/38/60/1370713860.db2.gz NWGXVTBNSCVPCJ-ABAIWWIYSA-N 2 1 325.294 3.483 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(C)c1Br ZINC001205304332 1370713864 /nfs/dbraw/zinc/71/38/64/1370713864.db2.gz NWGXVTBNSCVPCJ-ABAIWWIYSA-N 2 1 325.294 3.483 20 0 EGADMP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001205420546 1370748936 /nfs/dbraw/zinc/74/89/36/1370748936.db2.gz ZMNDRPSQTIXLQB-ROUKRRSUSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001205420264 1370749168 /nfs/dbraw/zinc/74/91/68/1370749168.db2.gz MMRZMTABZNMIOR-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001205464288 1370763301 /nfs/dbraw/zinc/76/33/01/1370763301.db2.gz NANIOQDDZCLGMD-RRFGBZISSA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001205483453 1370769387 /nfs/dbraw/zinc/76/93/87/1370769387.db2.gz DVVASTJOAFRHAF-PHWHVTFISA-N 2 1 335.536 3.045 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001205518941 1370778281 /nfs/dbraw/zinc/77/82/81/1370778281.db2.gz PUPDKMHODLNLJL-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2sc(N3CCCC3)nc2Cl)CC1 ZINC001205558209 1370790847 /nfs/dbraw/zinc/79/08/47/1370790847.db2.gz CUOPWPXOPQCKNP-OAHLLOKOSA-N 2 1 346.903 3.050 20 0 EGADMP COc1ccc(Br)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205558002 1370791106 /nfs/dbraw/zinc/79/11/06/1370791106.db2.gz AFEXBFGOUISRFE-OAHLLOKOSA-N 2 1 345.256 3.111 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(F)cc2Br)CC1 ZINC001205559825 1370791174 /nfs/dbraw/zinc/79/11/74/1370791174.db2.gz VCQXMFFGBAFTCH-CQSZACIVSA-N 2 1 333.220 3.241 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)CC1 ZINC001205570064 1370794677 /nfs/dbraw/zinc/79/46/77/1370794677.db2.gz DUOLSNQSUWPYIZ-AWEZNQCLSA-N 2 1 338.320 3.377 20 0 EGADMP CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001205570461 1370795444 /nfs/dbraw/zinc/79/54/44/1370795444.db2.gz KGJSEARMXZFIOL-IBGZPJMESA-N 2 1 336.451 3.295 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(OCc3ccccc3)cn2)CC1 ZINC001205591348 1370803092 /nfs/dbraw/zinc/80/30/92/1370803092.db2.gz KWFHOYXYKYOKQW-FQEVSTJZSA-N 2 1 343.446 3.314 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cc(Br)cnc2Cl)CC[C@@H]1C[NH3+] ZINC001205618747 1370812572 /nfs/dbraw/zinc/81/25/72/1370812572.db2.gz YQCIAJMBXBJJDH-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc(Br)cnc2Cl)CC[C@@H]1C[NH3+] ZINC001205618747 1370812576 /nfs/dbraw/zinc/81/25/76/1370812576.db2.gz YQCIAJMBXBJJDH-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[NH2+]C(C)(C)C)c1 ZINC001115964861 1370812402 /nfs/dbraw/zinc/81/24/02/1370812402.db2.gz LPZKWECVAQCPRJ-UHFFFAOYSA-N 2 1 328.460 3.381 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1Br ZINC001205617481 1370813434 /nfs/dbraw/zinc/81/34/34/1370813434.db2.gz KFXGDSMMWARILV-OCCSQVGLSA-N 2 1 341.293 3.265 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1OCC1CC1 ZINC001205626945 1370816618 /nfs/dbraw/zinc/81/66/18/1370816618.db2.gz KVQYTPRMCUXZKZ-CRAIPNDOSA-N 2 1 332.488 3.291 20 0 EGADMP CCSc1ncc2cccc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)n21 ZINC001205651613 1370828503 /nfs/dbraw/zinc/82/85/03/1370828503.db2.gz HKUJQCSQNOMOJU-CABCVRRESA-N 2 1 332.517 3.253 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001205664138 1370834779 /nfs/dbraw/zinc/83/47/79/1370834779.db2.gz MHYHNEGNZLPBCI-HXUWFJFHSA-N 2 1 326.440 3.155 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC001205674088 1370837761 /nfs/dbraw/zinc/83/77/61/1370837761.db2.gz ZAWPGQFUXOSNQI-GOSISDBHSA-N 2 1 334.847 3.276 20 0 EGADMP C[NH+](C)/C=C/c1ccncc1-c1ccc(CC[NH+]2CCOCC2)cc1 ZINC001205687241 1370842398 /nfs/dbraw/zinc/84/23/98/1370842398.db2.gz QVAIVKJIZZQAOF-PKNBQFBNSA-N 2 1 337.467 3.156 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]2C[NH+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001325955857 1388097738 /nfs/dbraw/zinc/09/77/38/1388097738.db2.gz MMLSVGGTAHLGAL-YZGWKJHDSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001325955857 1388097744 /nfs/dbraw/zinc/09/77/44/1388097744.db2.gz MMLSVGGTAHLGAL-YZGWKJHDSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001325955857 1388097748 /nfs/dbraw/zinc/09/77/48/1388097748.db2.gz MMLSVGGTAHLGAL-YZGWKJHDSA-N 2 1 343.515 3.012 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCCc2ccc(Br)cc2)CCC1(F)F ZINC001205734049 1370854156 /nfs/dbraw/zinc/85/41/56/1370854156.db2.gz BVCBNELGTGLVJQ-ZDUSSCGKSA-N 2 1 347.247 3.298 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2nc(C)cs2)[C@@H](C)C1 ZINC001116294539 1370880849 /nfs/dbraw/zinc/88/08/49/1370880849.db2.gz KBYIAJJRCFOTLV-DOTOQJQBSA-N 2 1 339.549 3.111 20 0 EGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001205830199 1370886343 /nfs/dbraw/zinc/88/63/43/1370886343.db2.gz RXSWOAHZHKYIAR-XJKSGUPXSA-N 2 1 330.863 3.356 20 0 EGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001205830199 1370886346 /nfs/dbraw/zinc/88/63/46/1370886346.db2.gz RXSWOAHZHKYIAR-XJKSGUPXSA-N 2 1 330.863 3.356 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCc1ccccc1Br ZINC001205901203 1370905160 /nfs/dbraw/zinc/90/51/60/1370905160.db2.gz BSSPAQMRRNGXAP-UKRRQHHQSA-N 2 1 325.294 3.441 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205903477 1370905875 /nfs/dbraw/zinc/90/58/75/1370905875.db2.gz PMSHGHDHIREKOM-HUUCEWRRSA-N 2 1 343.471 3.212 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205903477 1370905878 /nfs/dbraw/zinc/90/58/78/1370905878.db2.gz PMSHGHDHIREKOM-HUUCEWRRSA-N 2 1 343.471 3.212 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(OCc2ccccc2)ccn1 ZINC001205916895 1370910646 /nfs/dbraw/zinc/91/06/46/1370910646.db2.gz WESXPWDVWOSLRH-SJLPKXTDSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(OCc2ccccc2)ccn1 ZINC001205916895 1370910649 /nfs/dbraw/zinc/91/06/49/1370910649.db2.gz WESXPWDVWOSLRH-SJLPKXTDSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC001205925033 1370913509 /nfs/dbraw/zinc/91/35/09/1370913509.db2.gz VGQRAPSHYZYMQL-APWZRJJASA-N 2 1 325.456 3.220 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC001205925033 1370913516 /nfs/dbraw/zinc/91/35/16/1370913516.db2.gz VGQRAPSHYZYMQL-APWZRJJASA-N 2 1 325.456 3.220 20 0 EGADMP COc1ccc(Br)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205981778 1370929508 /nfs/dbraw/zinc/92/95/08/1370929508.db2.gz HCHDSAQSYLQJKX-CHWSQXEVSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)nc2)CCC[C@H]1C[NH3+] ZINC001206011367 1370937645 /nfs/dbraw/zinc/93/76/45/1370937645.db2.gz BXIOYJWQOZTMJI-PXNSSMCTSA-N 2 1 339.483 3.467 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206012037 1370938430 /nfs/dbraw/zinc/93/84/30/1370938430.db2.gz IDOQGGNAIYOTRO-CHWSQXEVSA-N 2 1 346.393 3.401 20 0 EGADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Cl)c1 ZINC001206013059 1370938659 /nfs/dbraw/zinc/93/86/59/1370938659.db2.gz PBVCDGSTRNIOFG-ZFWWWQNUSA-N 2 1 338.879 3.324 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ncc(Cl)cc2Br)CCC[C@@H]1C[NH3+] ZINC001206025673 1370941920 /nfs/dbraw/zinc/94/19/20/1370941920.db2.gz OWNPEBGVYUGEDL-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ncc(Cl)cc2Br)CCC[C@@H]1C[NH3+] ZINC001206025673 1370941925 /nfs/dbraw/zinc/94/19/25/1370941925.db2.gz OWNPEBGVYUGEDL-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP Cc1nccn1-c1cc[nH+]cc1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001116868310 1370990341 /nfs/dbraw/zinc/99/03/41/1370990341.db2.gz ULYMWGQBUOJVLM-UHFFFAOYSA-N 2 1 341.459 3.169 20 0 EGADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc3ncc(Br)cc3c2)C1 ZINC001206284976 1371011872 /nfs/dbraw/zinc/01/18/72/1371011872.db2.gz KFEWWPMKOUKTKN-GFCCVEGCSA-N 2 1 334.261 3.039 20 0 EGADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc3ncc(Br)cc3c2)C1 ZINC001206284976 1371011875 /nfs/dbraw/zinc/01/18/75/1371011875.db2.gz KFEWWPMKOUKTKN-GFCCVEGCSA-N 2 1 334.261 3.039 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCc2ccc(Br)cc2)CC1 ZINC001206296180 1371013720 /nfs/dbraw/zinc/01/37/20/1371013720.db2.gz QFAHPBBXJDMRPU-MRXNPFEDSA-N 2 1 325.294 3.443 20 0 EGADMP CC(C)(C)C(=O)Nc1ncccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304873 1371016975 /nfs/dbraw/zinc/01/69/75/1371016975.db2.gz QDZMEJDJJOZJSU-LJQANCHMSA-N 2 1 332.492 3.017 20 0 EGADMP CC(C)Oc1ncc(Cl)cc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206318318 1371020077 /nfs/dbraw/zinc/02/00/77/1371020077.db2.gz PHGWTTNMNURHSE-KRWDZBQOSA-N 2 1 325.884 3.473 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1OCC1CC1 ZINC001206338314 1371027208 /nfs/dbraw/zinc/02/72/08/1371027208.db2.gz ZDEIBYTWODEZCX-HXUWFJFHSA-N 2 1 332.488 3.435 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206542228 1371087878 /nfs/dbraw/zinc/08/78/78/1371087878.db2.gz VSERQEYFCWSUCY-FQEVSTJZSA-N 2 1 332.488 3.247 20 0 EGADMP CCOC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206555990 1371092570 /nfs/dbraw/zinc/09/25/70/1371092570.db2.gz LSAQJLGEBDTKTO-FQEVSTJZSA-N 2 1 343.471 3.296 20 0 EGADMP CCOC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206555990 1371092574 /nfs/dbraw/zinc/09/25/74/1371092574.db2.gz LSAQJLGEBDTKTO-FQEVSTJZSA-N 2 1 343.471 3.296 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1OC(F)(F)F ZINC001206769668 1371159713 /nfs/dbraw/zinc/15/97/13/1371159713.db2.gz PECFPVLADIOAPY-YPMHNXCESA-N 2 1 332.366 3.153 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001206794410 1371170031 /nfs/dbraw/zinc/17/00/31/1371170031.db2.gz NAJBAGCVDHWOEZ-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP Cc1ncc(CN2CCN(Cc3ccc4ccccc4c3)CC2)n1C ZINC001206796391 1371170456 /nfs/dbraw/zinc/17/04/56/1371170456.db2.gz YQBPYSWEBOGRBX-UHFFFAOYSA-N 2 1 334.467 3.200 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001206890614 1371209853 /nfs/dbraw/zinc/20/98/53/1371209853.db2.gz ZYYGVKGPSMSKTK-GOSISDBHSA-N 2 1 345.531 3.226 20 0 EGADMP CCn1ccnc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001207147372 1371310478 /nfs/dbraw/zinc/31/04/78/1371310478.db2.gz GCMHZBMZHKGCKR-PMACEKPBSA-N 2 1 338.499 3.247 20 0 EGADMP CCn1ccnc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001207147372 1371310483 /nfs/dbraw/zinc/31/04/83/1371310483.db2.gz GCMHZBMZHKGCKR-PMACEKPBSA-N 2 1 338.499 3.247 20 0 EGADMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001207147372 1371310487 /nfs/dbraw/zinc/31/04/87/1371310487.db2.gz GCMHZBMZHKGCKR-PMACEKPBSA-N 2 1 338.499 3.247 20 0 EGADMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001207147372 1371310490 /nfs/dbraw/zinc/31/04/90/1371310490.db2.gz GCMHZBMZHKGCKR-PMACEKPBSA-N 2 1 338.499 3.247 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC001207281585 1371349159 /nfs/dbraw/zinc/34/91/59/1371349159.db2.gz FJGAQSFFTCKSMG-IBGZPJMESA-N 2 1 349.544 3.155 20 0 EGADMP C[NH+](C)CC(C)(C)CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001207283357 1371349672 /nfs/dbraw/zinc/34/96/72/1371349672.db2.gz XFZVITOPUDMTAI-OAQYLSRUSA-N 2 1 329.532 3.172 20 0 EGADMP CCN(C(=O)OC(C)(C)C)C1CC[NH+](CC(C)(C)C[NH+](C)C)CC1 ZINC001207285839 1371350790 /nfs/dbraw/zinc/35/07/90/1371350790.db2.gz PAUDZDKQNSAOOO-UHFFFAOYSA-N 2 1 341.540 3.296 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326200499 1388127041 /nfs/dbraw/zinc/12/70/41/1388127041.db2.gz BVPFYFWEDVGTFJ-UHFFFAOYSA-N 2 1 342.462 3.285 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](CC1CC[NH+](C)CC1)CC2 ZINC001207396983 1371384356 /nfs/dbraw/zinc/38/43/56/1371384356.db2.gz ZQZWEBJSKGXETM-FQEVSTJZSA-N 3 1 345.531 3.298 20 0 EGADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207437993 1371395978 /nfs/dbraw/zinc/39/59/78/1371395978.db2.gz QSVVBYYPIFCUGV-UHFFFAOYSA-N 3 1 344.890 3.010 20 0 EGADMP CCOC(=O)CC[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC001207482411 1371410224 /nfs/dbraw/zinc/41/02/24/1371410224.db2.gz WJOMLSFZHRRTSB-UHFFFAOYSA-N 2 1 332.488 3.174 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3conc3Cc3ccccc3)C[C@@H]2C1 ZINC001120072283 1371478505 /nfs/dbraw/zinc/47/85/05/1371478505.db2.gz SOJLICJXMPDEBI-CMKODMSKSA-N 2 1 339.483 3.428 20 0 EGADMP Cc1ccc(-c2cnn(C[N@@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)c2)cc1 ZINC001120255242 1371516130 /nfs/dbraw/zinc/51/61/30/1371516130.db2.gz BVEVVCQPDBYEDW-IRFCIJBXSA-N 2 1 338.499 3.478 20 0 EGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC001207956568 1371550064 /nfs/dbraw/zinc/55/00/64/1371550064.db2.gz ANAZFHGBRXKWHB-CWJKEVGVSA-N 2 1 343.515 3.183 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CCCCO3)C[C@H]21 ZINC001207956568 1371550068 /nfs/dbraw/zinc/55/00/68/1371550068.db2.gz ANAZFHGBRXKWHB-CWJKEVGVSA-N 2 1 343.515 3.183 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CCCCO3)C[C@H]21 ZINC001207956568 1371550074 /nfs/dbraw/zinc/55/00/74/1371550074.db2.gz ANAZFHGBRXKWHB-CWJKEVGVSA-N 2 1 343.515 3.183 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC001207956568 1371550078 /nfs/dbraw/zinc/55/00/78/1371550078.db2.gz ANAZFHGBRXKWHB-CWJKEVGVSA-N 2 1 343.515 3.183 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC001207956568 1371550083 /nfs/dbraw/zinc/55/00/83/1371550083.db2.gz ANAZFHGBRXKWHB-CWJKEVGVSA-N 2 1 343.515 3.183 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001120391783 1371557814 /nfs/dbraw/zinc/55/78/14/1371557814.db2.gz GYDBSWPVELSTPF-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001120391783 1371557819 /nfs/dbraw/zinc/55/78/19/1371557819.db2.gz GYDBSWPVELSTPF-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001120391783 1371557822 /nfs/dbraw/zinc/55/78/22/1371557822.db2.gz GYDBSWPVELSTPF-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001120429825 1371573450 /nfs/dbraw/zinc/57/34/50/1371573450.db2.gz BTTOQLCFBPMLAN-OALUTQOASA-N 2 1 346.519 3.085 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001120429825 1371573452 /nfs/dbraw/zinc/57/34/52/1371573452.db2.gz BTTOQLCFBPMLAN-OALUTQOASA-N 2 1 346.519 3.085 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CCC2CCCC2)C1 ZINC001120432121 1371574837 /nfs/dbraw/zinc/57/48/37/1371574837.db2.gz YGFVPTYADYCMJD-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CCC(C)C)C1 ZINC001120439847 1371577581 /nfs/dbraw/zinc/57/75/81/1371577581.db2.gz JFOIDYMXWWPQBK-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CCC(C)C)C1 ZINC001120439847 1371577584 /nfs/dbraw/zinc/57/75/84/1371577584.db2.gz JFOIDYMXWWPQBK-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CCC(C)C)C1 ZINC001120439847 1371577588 /nfs/dbraw/zinc/57/75/88/1371577588.db2.gz JFOIDYMXWWPQBK-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208048694 1371580523 /nfs/dbraw/zinc/58/05/23/1371580523.db2.gz JVYXEBVHLKKRLC-OALUTQOASA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCCC(C)(C)C)C2)CC[N@H+]1C ZINC001208073227 1371588076 /nfs/dbraw/zinc/58/80/76/1371588076.db2.gz FQVTYJYMKMUXHK-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001208073565 1371588467 /nfs/dbraw/zinc/58/84/67/1371588467.db2.gz LMXLCWUXIHZKBK-PLQXZHKYSA-N 2 1 346.519 3.334 20 0 EGADMP c1cnn(CCC[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001208086419 1371592425 /nfs/dbraw/zinc/59/24/25/1371592425.db2.gz MHOUKJSTTRPQBY-SFTDATJTSA-N 2 1 338.499 3.117 20 0 EGADMP c1cnn(CCC[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001208086419 1371592432 /nfs/dbraw/zinc/59/24/32/1371592432.db2.gz MHOUKJSTTRPQBY-SFTDATJTSA-N 2 1 338.499 3.117 20 0 EGADMP c1cnn(CCC[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001208086419 1371592440 /nfs/dbraw/zinc/59/24/40/1371592440.db2.gz MHOUKJSTTRPQBY-SFTDATJTSA-N 2 1 338.499 3.117 20 0 EGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1(C)CC[NH+](C)CC1 ZINC001208109027 1371596434 /nfs/dbraw/zinc/59/64/34/1371596434.db2.gz JUUVIIUHTCXTIG-HXUWFJFHSA-N 3 1 329.532 3.172 20 0 EGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1(C)CC[NH+](C)CC1 ZINC001208109027 1371596438 /nfs/dbraw/zinc/59/64/38/1371596438.db2.gz JUUVIIUHTCXTIG-HXUWFJFHSA-N 3 1 329.532 3.172 20 0 EGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(C)CC[NH+](C)CC1 ZINC001208109027 1371596439 /nfs/dbraw/zinc/59/64/39/1371596439.db2.gz JUUVIIUHTCXTIG-HXUWFJFHSA-N 2 1 329.532 3.172 20 0 EGADMP C[N@H+](C[C@H]1CCN(Cc2ccccc2)C1)CC1(C)CC[NH+](C)CC1 ZINC001208109027 1371596443 /nfs/dbraw/zinc/59/64/43/1371596443.db2.gz JUUVIIUHTCXTIG-HXUWFJFHSA-N 2 1 329.532 3.172 20 0 EGADMP C[N@@H+](C[C@H]1CCN(Cc2ccccc2)C1)CC1(C)CC[NH+](C)CC1 ZINC001208109027 1371596444 /nfs/dbraw/zinc/59/64/44/1371596444.db2.gz JUUVIIUHTCXTIG-HXUWFJFHSA-N 2 1 329.532 3.172 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208129366 1371604031 /nfs/dbraw/zinc/60/40/31/1371604031.db2.gz UJKIQYHGKKVEOS-YHTLKTDXSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208129366 1371604037 /nfs/dbraw/zinc/60/40/37/1371604037.db2.gz UJKIQYHGKKVEOS-YHTLKTDXSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208129366 1371604045 /nfs/dbraw/zinc/60/40/45/1371604045.db2.gz UJKIQYHGKKVEOS-YHTLKTDXSA-N 2 1 349.563 3.434 20 0 EGADMP C[NH+](C)CC1(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC001208188145 1371627971 /nfs/dbraw/zinc/62/79/71/1371627971.db2.gz UHSNWQBTCUTSTI-NHCUHLMSSA-N 2 1 341.543 3.315 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208330688 1371720409 /nfs/dbraw/zinc/72/04/09/1371720409.db2.gz COEXHLHNEXKTIX-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@H](C)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001208460214 1371775599 /nfs/dbraw/zinc/77/55/99/1371775599.db2.gz QFLUYBWYKQMBRR-IRXDYDNUSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C)[NH+](CC)CC ZINC001208575659 1371824798 /nfs/dbraw/zinc/82/47/98/1371824798.db2.gz SFHKQOPVSXZVLH-QRQLOZEOSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCCC[NH+]3Cc3ccccc3)C[C@@H]21 ZINC001208591633 1371830858 /nfs/dbraw/zinc/83/08/58/1371830858.db2.gz MNNWJKHMNUZNOQ-HKBOAZHASA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1CCC[C@@H]2CN(C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C[C@@H]21 ZINC001208591633 1371830866 /nfs/dbraw/zinc/83/08/66/1371830866.db2.gz MNNWJKHMNUZNOQ-HKBOAZHASA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1CCC[C@@H]2CN(C[C@@H]3CCCC[N@H+]3Cc3ccccc3)C[C@@H]21 ZINC001208591633 1371830879 /nfs/dbraw/zinc/83/08/79/1371830879.db2.gz MNNWJKHMNUZNOQ-HKBOAZHASA-N 2 1 327.516 3.067 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC001208598739 1371835242 /nfs/dbraw/zinc/83/52/42/1371835242.db2.gz WZGKPGVKOCQJDK-DOTOQJQBSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)C1 ZINC001208605921 1371837963 /nfs/dbraw/zinc/83/79/63/1371837963.db2.gz BYNLVLVSDATZHQ-AETAKHFUSA-N 2 1 347.528 3.124 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)C1 ZINC001208605921 1371837967 /nfs/dbraw/zinc/83/79/67/1371837967.db2.gz BYNLVLVSDATZHQ-AETAKHFUSA-N 2 1 347.528 3.124 20 0 EGADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)C1 ZINC001208605921 1371837975 /nfs/dbraw/zinc/83/79/75/1371837975.db2.gz BYNLVLVSDATZHQ-AETAKHFUSA-N 2 1 347.528 3.124 20 0 EGADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)C1 ZINC001208605921 1371837980 /nfs/dbraw/zinc/83/79/80/1371837980.db2.gz BYNLVLVSDATZHQ-AETAKHFUSA-N 2 1 347.528 3.124 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)C1 ZINC001208606739 1371838746 /nfs/dbraw/zinc/83/87/46/1371838746.db2.gz GUCUPSPOOJEXNO-JBACZVJFSA-N 2 1 328.500 3.367 20 0 EGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)C1 ZINC001208606739 1371838749 /nfs/dbraw/zinc/83/87/49/1371838749.db2.gz GUCUPSPOOJEXNO-JBACZVJFSA-N 2 1 328.500 3.367 20 0 EGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)C1 ZINC001208606739 1371838751 /nfs/dbraw/zinc/83/87/51/1371838751.db2.gz GUCUPSPOOJEXNO-JBACZVJFSA-N 2 1 328.500 3.367 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3cccc4sccc43)CC2)C1 ZINC001208615124 1371840879 /nfs/dbraw/zinc/84/08/79/1371840879.db2.gz GTPGSJROPDRHQE-INIZCTEOSA-N 2 1 329.513 3.365 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2CCN(c3cccc4sccc43)CC2)C1 ZINC001208615124 1371840883 /nfs/dbraw/zinc/84/08/83/1371840883.db2.gz GTPGSJROPDRHQE-INIZCTEOSA-N 2 1 329.513 3.365 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208637158 1371847945 /nfs/dbraw/zinc/84/79/45/1371847945.db2.gz IFCMVKSMDLOUEF-ZWHYWQQASA-N 2 1 337.552 3.147 20 0 EGADMP C(C1CC1)[N@@H+]1CCCC12CC[NH+](C[C@H]1COC3(CCCCC3)O1)CC2 ZINC001208632728 1371848648 /nfs/dbraw/zinc/84/86/48/1371848648.db2.gz ADFVYFGFAJJKQG-IBGZPJMESA-N 2 1 348.531 3.403 20 0 EGADMP C(C1CC1)[N@H+]1CCCC12CC[NH+](C[C@H]1COC3(CCCCC3)O1)CC2 ZINC001208632728 1371848653 /nfs/dbraw/zinc/84/86/53/1371848653.db2.gz ADFVYFGFAJJKQG-IBGZPJMESA-N 2 1 348.531 3.403 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C[C@H]1COC2(CCCCC2)O1 ZINC001208641925 1371849078 /nfs/dbraw/zinc/84/90/78/1371849078.db2.gz PNTQGMYXJPQGDF-FHWLQOOXSA-N 2 1 336.520 3.401 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@H]1COC2(CCCCC2)O1 ZINC001208641925 1371849082 /nfs/dbraw/zinc/84/90/82/1371849082.db2.gz PNTQGMYXJPQGDF-FHWLQOOXSA-N 2 1 336.520 3.401 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@H]1COC2(CCCCC2)O1 ZINC001208641925 1371849083 /nfs/dbraw/zinc/84/90/83/1371849083.db2.gz PNTQGMYXJPQGDF-FHWLQOOXSA-N 2 1 336.520 3.401 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001121232166 1371902139 /nfs/dbraw/zinc/90/21/39/1371902139.db2.gz AFQXFAPGOQEXKF-GGQJKKPXSA-N 2 1 349.563 3.172 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2 ZINC001121260597 1371912767 /nfs/dbraw/zinc/91/27/67/1371912767.db2.gz GWGSKPYZOHPHKR-MBEFBZSESA-N 2 1 347.547 3.068 20 0 EGADMP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001121325982 1371937384 /nfs/dbraw/zinc/93/73/84/1371937384.db2.gz SAZJADNAIFTYNY-HJWRWDBZSA-N 2 1 335.536 3.090 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC[C@@H]4CCCO[C@H]4C3)C2)cc1 ZINC001208931021 1371950826 /nfs/dbraw/zinc/95/08/26/1371950826.db2.gz GYWZGWJPPDXAPX-ACRUOGEOSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC[C@@H]4CCCO[C@H]4C3)C2)cc1 ZINC001208931021 1371950830 /nfs/dbraw/zinc/95/08/30/1371950830.db2.gz GYWZGWJPPDXAPX-ACRUOGEOSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CC[C@@H]4CCCO[C@H]4C3)C2)cc1 ZINC001208931021 1371950832 /nfs/dbraw/zinc/95/08/32/1371950832.db2.gz GYWZGWJPPDXAPX-ACRUOGEOSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC4(CCOC4)CC3)C2)cc1 ZINC001208931223 1371951038 /nfs/dbraw/zinc/95/10/38/1371951038.db2.gz IJFMYTMBRZLTCU-HXUWFJFHSA-N 2 1 328.500 3.401 20 0 EGADMP F[C@H]1COC2(C1)CC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208941110 1371955963 /nfs/dbraw/zinc/95/59/63/1371955963.db2.gz XHQKKRFIYLOSLD-VQTJNVASSA-N 2 1 346.490 3.492 20 0 EGADMP F[C@H]1COC2(C1)CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208941110 1371955966 /nfs/dbraw/zinc/95/59/66/1371955966.db2.gz XHQKKRFIYLOSLD-VQTJNVASSA-N 2 1 346.490 3.492 20 0 EGADMP F[C@H]1COC2(C1)CC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208941111 1371956144 /nfs/dbraw/zinc/95/61/44/1371956144.db2.gz XHQKKRFIYLOSLD-WOJBJXKFSA-N 2 1 346.490 3.492 20 0 EGADMP F[C@H]1COC2(C1)CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208941111 1371956149 /nfs/dbraw/zinc/95/61/49/1371956149.db2.gz XHQKKRFIYLOSLD-WOJBJXKFSA-N 2 1 346.490 3.492 20 0 EGADMP CC1([NH+]2CCCC2)CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208955858 1371961697 /nfs/dbraw/zinc/96/16/97/1371961697.db2.gz FXMGNFKMZYTFCB-NRFANRHFSA-N 2 1 341.543 3.459 20 0 EGADMP CCOC(=O)[C@@]1(C)CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208954659 1371962516 /nfs/dbraw/zinc/96/25/16/1371962516.db2.gz WYWWUKBQWNBNOF-CTNGQTDRSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)[C@@]1(C)CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208954659 1371962521 /nfs/dbraw/zinc/96/25/21/1371962521.db2.gz WYWWUKBQWNBNOF-CTNGQTDRSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)[C@@]1(C)CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208954659 1371962523 /nfs/dbraw/zinc/96/25/23/1371962523.db2.gz WYWWUKBQWNBNOF-CTNGQTDRSA-N 2 1 344.499 3.174 20 0 EGADMP CC(C)[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001208962664 1371964293 /nfs/dbraw/zinc/96/42/93/1371964293.db2.gz KLXSOPARGAPGAE-FQEVSTJZSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001208962664 1371964315 /nfs/dbraw/zinc/96/43/15/1371964315.db2.gz KLXSOPARGAPGAE-FQEVSTJZSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001208962664 1371964317 /nfs/dbraw/zinc/96/43/17/1371964317.db2.gz KLXSOPARGAPGAE-FQEVSTJZSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001208962664 1371964320 /nfs/dbraw/zinc/96/43/20/1371964320.db2.gz KLXSOPARGAPGAE-FQEVSTJZSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001209083999 1371993345 /nfs/dbraw/zinc/99/33/45/1371993345.db2.gz AGAOJALVODEJBL-NZSAHSFTSA-N 2 1 338.536 3.264 20 0 EGADMP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001209083999 1371993348 /nfs/dbraw/zinc/99/33/48/1371993348.db2.gz AGAOJALVODEJBL-NZSAHSFTSA-N 2 1 338.536 3.264 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142209 1372012605 /nfs/dbraw/zinc/01/26/05/1372012605.db2.gz IXKWNUAFDZBTGB-RTUSNTFBSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209142209 1372012608 /nfs/dbraw/zinc/01/26/08/1372012608.db2.gz IXKWNUAFDZBTGB-RTUSNTFBSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209142209 1372012611 /nfs/dbraw/zinc/01/26/11/1372012611.db2.gz IXKWNUAFDZBTGB-RTUSNTFBSA-N 2 1 335.536 3.042 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142882 1372013321 /nfs/dbraw/zinc/01/33/21/1372013321.db2.gz WWXUEVHOABWUJG-FBYXPACISA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209142882 1372013325 /nfs/dbraw/zinc/01/33/25/1372013325.db2.gz WWXUEVHOABWUJG-FBYXPACISA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209142882 1372013332 /nfs/dbraw/zinc/01/33/32/1372013332.db2.gz WWXUEVHOABWUJG-FBYXPACISA-N 2 1 349.563 3.432 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](CCCC1OCCO1)CC2 ZINC001209301752 1372063861 /nfs/dbraw/zinc/06/38/61/1372063861.db2.gz RMRDLCWDJFNUKO-GOSISDBHSA-N 2 1 348.487 3.109 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC3(C2)CC([NH2+]CCCC(C)(C)C)C3)C1 ZINC001121773734 1372077148 /nfs/dbraw/zinc/07/71/48/1372077148.db2.gz WSUIUDPSUXQWTE-GUYFDXGHSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@@H]1CC(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)C[C@@H](C)O1 ZINC001209380588 1372083330 /nfs/dbraw/zinc/08/33/30/1372083330.db2.gz MDYOXSVQRAFGHK-AHCXZYCDSA-N 2 1 334.529 3.315 20 0 EGADMP C[C@@H]1CC(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)C[C@@H](C)O1 ZINC001209380588 1372083335 /nfs/dbraw/zinc/08/33/35/1372083335.db2.gz MDYOXSVQRAFGHK-AHCXZYCDSA-N 2 1 334.529 3.315 20 0 EGADMP C[C@@H]1CC(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)C[C@@H](C)O1 ZINC001209380588 1372083343 /nfs/dbraw/zinc/08/33/43/1372083343.db2.gz MDYOXSVQRAFGHK-AHCXZYCDSA-N 2 1 334.529 3.315 20 0 EGADMP C[C@@H]1CC(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)C[C@@H](C)O1 ZINC001209380588 1372083346 /nfs/dbraw/zinc/08/33/46/1372083346.db2.gz MDYOXSVQRAFGHK-AHCXZYCDSA-N 2 1 334.529 3.315 20 0 EGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](C[C@H]1C[C@@H]1C)CC2 ZINC001209414871 1372100027 /nfs/dbraw/zinc/10/00/27/1372100027.db2.gz MYHOHVPVMNZFDC-NSHGMRRFSA-N 2 1 343.515 3.041 20 0 EGADMP COC1CC[NH+](C2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)CC1 ZINC001209515935 1372126002 /nfs/dbraw/zinc/12/60/02/1372126002.db2.gz MFWJDVCAHUMWIB-UHFFFAOYSA-N 2 1 327.472 3.243 20 0 EGADMP Cn1nc2ccccc2c1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209542504 1372133178 /nfs/dbraw/zinc/13/31/78/1372133178.db2.gz STWDLKUFGJADCN-OALUTQOASA-N 2 1 346.478 3.137 20 0 EGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cncs3)C[C@H]21 ZINC001209549456 1372133612 /nfs/dbraw/zinc/13/36/12/1372133612.db2.gz USICJKNUXTWPJM-ATZDWAIDSA-N 2 1 342.512 3.271 20 0 EGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cncs3)C[C@H]21 ZINC001209549456 1372133616 /nfs/dbraw/zinc/13/36/16/1372133616.db2.gz USICJKNUXTWPJM-ATZDWAIDSA-N 2 1 342.512 3.271 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(CC)CC)C[C@H]1C ZINC001209565670 1372138095 /nfs/dbraw/zinc/13/80/95/1372138095.db2.gz HIUYZRKIBKJJAK-IEBWSBKVSA-N 2 1 339.568 3.371 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(CC)CC)C[C@H]1C ZINC001209565670 1372138097 /nfs/dbraw/zinc/13/80/97/1372138097.db2.gz HIUYZRKIBKJJAK-IEBWSBKVSA-N 2 1 339.568 3.371 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001209565670 1372138100 /nfs/dbraw/zinc/13/81/00/1372138100.db2.gz HIUYZRKIBKJJAK-IEBWSBKVSA-N 2 1 339.568 3.371 20 0 EGADMP Cc1nc2ccccn2c1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001209649245 1372161491 /nfs/dbraw/zinc/16/14/91/1372161491.db2.gz GOEMFGXBAQBKQR-ZWKOTPCHSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1nc2ccccn2c1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001209649245 1372161495 /nfs/dbraw/zinc/16/14/95/1372161495.db2.gz GOEMFGXBAQBKQR-ZWKOTPCHSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1nc2ccccn2c1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001209649245 1372161497 /nfs/dbraw/zinc/16/14/97/1372161497.db2.gz GOEMFGXBAQBKQR-ZWKOTPCHSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1nc2ccccn2c1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001209649245 1372161500 /nfs/dbraw/zinc/16/15/00/1372161500.db2.gz GOEMFGXBAQBKQR-ZWKOTPCHSA-N 2 1 326.488 3.482 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122057158 1372164574 /nfs/dbraw/zinc/16/45/74/1372164574.db2.gz WGZYTHHASOSOKU-ZCBKYUGRSA-N 2 1 347.547 3.092 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122057157 1372164721 /nfs/dbraw/zinc/16/47/21/1372164721.db2.gz WGZYTHHASOSOKU-XKZCYDSASA-N 2 1 347.547 3.092 20 0 EGADMP Nc1ccncc1C[N@@H+]1C[C@H]2c3ccccc3[C@H](OCC3CC3)[C@H]2C1 ZINC001209730246 1372178719 /nfs/dbraw/zinc/17/87/19/1372178719.db2.gz IIENIVQTDJQMHS-ZJOUEHCJSA-N 2 1 335.451 3.191 20 0 EGADMP Nc1cc[nH+]cc1C[N@H+]1C[C@H]2c3ccccc3[C@H](OCC3CC3)[C@H]2C1 ZINC001209730246 1372178720 /nfs/dbraw/zinc/17/87/20/1372178720.db2.gz IIENIVQTDJQMHS-ZJOUEHCJSA-N 2 1 335.451 3.191 20 0 EGADMP Nc1cc[nH+]cc1C[N@@H+]1C[C@H]2c3ccccc3[C@H](OCC3CC3)[C@H]2C1 ZINC001209730246 1372178723 /nfs/dbraw/zinc/17/87/23/1372178723.db2.gz IIENIVQTDJQMHS-ZJOUEHCJSA-N 2 1 335.451 3.191 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001210179536 1372289468 /nfs/dbraw/zinc/28/94/68/1372289468.db2.gz PIQGSBJEOXJRHP-GUDVDZBRSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210179536 1372289472 /nfs/dbraw/zinc/28/94/72/1372289472.db2.gz PIQGSBJEOXJRHP-GUDVDZBRSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001210179536 1372289474 /nfs/dbraw/zinc/28/94/74/1372289474.db2.gz PIQGSBJEOXJRHP-GUDVDZBRSA-N 2 1 337.552 3.268 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN3CC[NH2+]C[C@H]3c3ccccc3)C2)cc1 ZINC001210196973 1372292536 /nfs/dbraw/zinc/29/25/36/1372292536.db2.gz TULHRMYLZREUNM-UNMCSNQZSA-N 2 1 335.495 3.155 20 0 EGADMP c1nc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)sc1-c1ccccc1 ZINC001210262047 1372308449 /nfs/dbraw/zinc/30/84/49/1372308449.db2.gz OXIUVGUWQCXCEV-UHFFFAOYSA-N 2 1 337.452 3.358 20 0 EGADMP Fc1cc(C(F)(F)F)ccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210265598 1372309826 /nfs/dbraw/zinc/30/98/26/1372309826.db2.gz AFDIVODWEYVALK-UHFFFAOYSA-N 2 1 340.324 3.393 20 0 EGADMP Nc1ccccc1N(c1cc[nH+]c(N2CC[NH2+]CC2)c1)C1CCCC1 ZINC001210271452 1372312295 /nfs/dbraw/zinc/31/22/95/1372312295.db2.gz YYMNKSYTYZCVMA-UHFFFAOYSA-N 2 1 337.471 3.154 20 0 EGADMP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC001210337916 1372326877 /nfs/dbraw/zinc/32/68/77/1372326877.db2.gz XSPDLOKRBCSFHB-NVXWUHKLSA-N 2 1 346.519 3.024 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC001210337916 1372326881 /nfs/dbraw/zinc/32/68/81/1372326881.db2.gz XSPDLOKRBCSFHB-NVXWUHKLSA-N 2 1 346.519 3.024 20 0 EGADMP C[C@H](c1ccccc1F)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210412644 1372345857 /nfs/dbraw/zinc/34/58/57/1372345857.db2.gz WOVMGDDXVLFNQV-GPMSIDNRSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](CC)c2ccccc2)C[C@H]1C ZINC001210497176 1372366445 /nfs/dbraw/zinc/36/64/45/1372366445.db2.gz AUZRVGHFWCMXMP-MISYRCLQSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)c2ccccc2)C[C@H]1C ZINC001210497176 1372366447 /nfs/dbraw/zinc/36/64/47/1372366447.db2.gz AUZRVGHFWCMXMP-MISYRCLQSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](CC)c2ccccc2)C[C@H]1C ZINC001210497176 1372366448 /nfs/dbraw/zinc/36/64/48/1372366448.db2.gz AUZRVGHFWCMXMP-MISYRCLQSA-N 2 1 345.531 3.306 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211374585 1372543066 /nfs/dbraw/zinc/54/30/66/1372543066.db2.gz JORVPMWBPVQGPR-QSMUSEHHSA-N 2 1 349.563 3.290 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211376110 1372543779 /nfs/dbraw/zinc/54/37/79/1372543779.db2.gz GXYWJHIBHBQFCC-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001127065894 1373079293 /nfs/dbraw/zinc/07/92/93/1373079293.db2.gz GUULPZYZWTYCIY-PXNSSMCTSA-N 2 1 345.531 3.450 20 0 EGADMP CCCCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001214662228 1373098671 /nfs/dbraw/zinc/09/86/71/1373098671.db2.gz ZWLCDLBVHCAKGX-IXDOHACOSA-N 2 1 334.508 3.023 20 0 EGADMP CCCCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214853352 1373130368 /nfs/dbraw/zinc/13/03/68/1373130368.db2.gz YWBURTSSLKNQQU-CEXWTWQISA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214853354 1373130526 /nfs/dbraw/zinc/13/05/26/1373130526.db2.gz YWBURTSSLKNQQU-GUDVDZBRSA-N 2 1 337.552 3.266 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214856028 1373130947 /nfs/dbraw/zinc/13/09/47/1373130947.db2.gz VEZYIIDKJXZNNP-YSNLUETFSA-N 2 1 335.536 3.042 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001216225551 1373284842 /nfs/dbraw/zinc/28/48/42/1373284842.db2.gz GQBXPLBHQHRBBM-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCN1CC[NH+](Cc2ccc(Nc3cc[nH+]c(NC)c3)cc2)CC1 ZINC001216334364 1373300713 /nfs/dbraw/zinc/30/07/13/1373300713.db2.gz BQDKRUOGNLMMQB-UHFFFAOYSA-N 2 1 325.460 3.004 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001216490921 1373311629 /nfs/dbraw/zinc/31/16/29/1373311629.db2.gz WCUKXGADPMJYKK-JTDSTZFVSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001216506144 1373312368 /nfs/dbraw/zinc/31/23/68/1373312368.db2.gz CJCRHVXWPPVPLP-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+][C@H]1CCCc2ccccc21 ZINC001129423876 1373382416 /nfs/dbraw/zinc/38/24/16/1373382416.db2.gz XXXRYQBRBOGTAR-QUCCMNQESA-N 2 1 343.515 3.033 20 0 EGADMP O=C(NCC[NH2+]CCCC1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129429736 1373383048 /nfs/dbraw/zinc/38/30/48/1373383048.db2.gz KOVBRUDTFTUKIF-IBGZPJMESA-N 2 1 335.536 3.070 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205439 1388264017 /nfs/dbraw/zinc/26/40/17/1388264017.db2.gz LXOORDNYIDBJAX-CSSZIBPHSA-N 2 1 347.547 3.138 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001188205439 1388264021 /nfs/dbraw/zinc/26/40/21/1388264021.db2.gz LXOORDNYIDBJAX-CSSZIBPHSA-N 2 1 347.547 3.138 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001188205439 1388264027 /nfs/dbraw/zinc/26/40/27/1388264027.db2.gz LXOORDNYIDBJAX-CSSZIBPHSA-N 2 1 347.547 3.138 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@](C)(CO[C@H]2CCCC[NH2+]C2)O1 ZINC001217773184 1373499745 /nfs/dbraw/zinc/49/97/45/1373499745.db2.gz NNIFOYHNWLUICZ-PZJWPPBQSA-N 2 1 346.515 3.215 20 0 EGADMP C[C@H](OCCCCCCC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001217870415 1373508734 /nfs/dbraw/zinc/50/87/34/1373508734.db2.gz SSDOCAXFXGUJBD-AZUAARDMSA-N 2 1 334.504 3.202 20 0 EGADMP C[C@H](OCCCCCCC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001217870415 1373508740 /nfs/dbraw/zinc/50/87/40/1373508740.db2.gz SSDOCAXFXGUJBD-AZUAARDMSA-N 2 1 334.504 3.202 20 0 EGADMP c1ccc(C[N@H+]2CCCO[C@@H](COCCCC3CC[NH2+]CC3)C2)cc1 ZINC001217888463 1373509659 /nfs/dbraw/zinc/50/96/59/1373509659.db2.gz TUKFNLKEKNESJK-OAQYLSRUSA-N 2 1 346.515 3.074 20 0 EGADMP CC[C@@H](c1cccc(O[C@H]2C[NH2+]CC2(F)F)c1)[C@@H](C)C[NH+](C)C ZINC001218237927 1373580904 /nfs/dbraw/zinc/58/09/04/1373580904.db2.gz XUHQKTRSZWWCKZ-XKQJLSEDSA-N 2 1 326.431 3.364 20 0 EGADMP CC[C@]1(c2cccc(O[C@@H]3C[C@H]4C[NH2+]C[C@@H]43)c2)CCCC[N@@H+](C)C1 ZINC001218331020 1373598308 /nfs/dbraw/zinc/59/83/08/1373598308.db2.gz PIQXGRBFPITBFM-DVWBAYGPSA-N 2 1 328.500 3.437 20 0 EGADMP O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)[C@]12CC[C@@H]1C[NH2+]C2 ZINC001218848616 1373660345 /nfs/dbraw/zinc/66/03/45/1373660345.db2.gz PAPRPZAETWJBGZ-KNQAVFIVSA-N 2 1 347.462 3.141 20 0 EGADMP O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)[C@]12CC[C@@H]1C[NH2+]C2 ZINC001218848616 1373660348 /nfs/dbraw/zinc/66/03/48/1373660348.db2.gz PAPRPZAETWJBGZ-KNQAVFIVSA-N 2 1 347.462 3.141 20 0 EGADMP C[N@@H+](CCC(=O)Nc1ccc(C(C)(C)C[NH3+])cc1)Cc1ccccc1 ZINC001218896899 1373665272 /nfs/dbraw/zinc/66/52/72/1373665272.db2.gz BWGRVJKXGPBCJL-UHFFFAOYSA-N 2 1 339.483 3.384 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)NC[C@@]1(F)CCC[NH2+]C1)c1ccccc1 ZINC001219768168 1373731976 /nfs/dbraw/zinc/73/19/76/1373731976.db2.gz KPORCCDDLMPVPJ-AZUAARDMSA-N 2 1 349.494 3.058 20 0 EGADMP FC(F)Oc1cc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)ccn1 ZINC001222173775 1373819055 /nfs/dbraw/zinc/81/90/55/1373819055.db2.gz XOYDDINSJSWRTK-GOSISDBHSA-N 2 1 339.430 3.429 20 0 EGADMP FC(F)Oc1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)ccn1 ZINC001222173775 1373819058 /nfs/dbraw/zinc/81/90/58/1373819058.db2.gz XOYDDINSJSWRTK-GOSISDBHSA-N 2 1 339.430 3.429 20 0 EGADMP Oc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1OC(F)(F)F ZINC001222278047 1373823867 /nfs/dbraw/zinc/82/38/67/1373823867.db2.gz WLYONVFUKVWRKG-MRXNPFEDSA-N 2 1 344.377 3.256 20 0 EGADMP Oc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1OC(F)(F)F ZINC001222278047 1373823876 /nfs/dbraw/zinc/82/38/76/1373823876.db2.gz WLYONVFUKVWRKG-MRXNPFEDSA-N 2 1 344.377 3.256 20 0 EGADMP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222401114 1373838418 /nfs/dbraw/zinc/83/84/18/1373838418.db2.gz QSWDZZQDTKPFLO-SFHVURJKSA-N 2 1 340.552 3.310 20 0 EGADMP C[N@H+]1CCC[C@@H](OC[C@]2(C)C[NH+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152633 1375096024 /nfs/dbraw/zinc/09/60/24/1375096024.db2.gz XMLWLQFEGFUIRH-CTNGQTDRSA-N 2 1 346.515 3.167 20 0 EGADMP C[NH+]1CCC[C@@H](OC[C@]2(C)C[N@H+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152633 1375096031 /nfs/dbraw/zinc/09/60/31/1375096031.db2.gz XMLWLQFEGFUIRH-CTNGQTDRSA-N 2 1 346.515 3.167 20 0 EGADMP C[NH+]1CCC[C@@H](OC[C@]2(C)C[N@@H+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152633 1375096036 /nfs/dbraw/zinc/09/60/36/1375096036.db2.gz XMLWLQFEGFUIRH-CTNGQTDRSA-N 2 1 346.515 3.167 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@H+]1CC1CC1 ZINC001132142145 1375168918 /nfs/dbraw/zinc/16/89/18/1375168918.db2.gz YAKGQLNNURHLGC-WBVHZDCISA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[NH+]1CC1CC1 ZINC001132142145 1375168921 /nfs/dbraw/zinc/16/89/21/1375168921.db2.gz YAKGQLNNURHLGC-WBVHZDCISA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[NH+]1CC1CC1 ZINC001132142145 1375168924 /nfs/dbraw/zinc/16/89/24/1375168924.db2.gz YAKGQLNNURHLGC-WBVHZDCISA-N 2 1 335.536 3.019 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccccc2C)C1 ZINC001132152859 1375172848 /nfs/dbraw/zinc/17/28/48/1375172848.db2.gz JRHHQNFQISSIDI-PKOBYXMFSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2C)C1 ZINC001132152859 1375172851 /nfs/dbraw/zinc/17/28/51/1375172851.db2.gz JRHHQNFQISSIDI-PKOBYXMFSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C)C1 ZINC001132152859 1375172854 /nfs/dbraw/zinc/17/28/54/1375172854.db2.gz JRHHQNFQISSIDI-PKOBYXMFSA-N 2 1 345.531 3.194 20 0 EGADMP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001226332967 1375241200 /nfs/dbraw/zinc/24/12/00/1375241200.db2.gz DCPDXKTVBONBPR-BRWVUGGUSA-N 2 1 334.508 3.214 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001132266720 1375256077 /nfs/dbraw/zinc/25/60/77/1375256077.db2.gz ZDEVYQTVHCDBLY-AEFFLSMTSA-N 2 1 349.519 3.360 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001132266720 1375256082 /nfs/dbraw/zinc/25/60/82/1375256082.db2.gz ZDEVYQTVHCDBLY-AEFFLSMTSA-N 2 1 349.519 3.360 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CCCC(C)(C)C ZINC001132269281 1375257342 /nfs/dbraw/zinc/25/73/42/1375257342.db2.gz IFFREDJZGLAXEK-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC001132310265 1375289233 /nfs/dbraw/zinc/28/92/33/1375289233.db2.gz JYRQRKPEKPFVCD-IEBWSBKVSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[NH+]1Cc1ccccc1 ZINC001132310265 1375289234 /nfs/dbraw/zinc/28/92/34/1375289234.db2.gz JYRQRKPEKPFVCD-IEBWSBKVSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[NH+]1Cc1ccccc1 ZINC001132310265 1375289235 /nfs/dbraw/zinc/28/92/35/1375289235.db2.gz JYRQRKPEKPFVCD-IEBWSBKVSA-N 2 1 345.531 3.134 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132311478 1375290069 /nfs/dbraw/zinc/29/00/69/1375290069.db2.gz URFDLTMGOHZICM-WMZOPIPTSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132311478 1375290079 /nfs/dbraw/zinc/29/00/79/1375290079.db2.gz URFDLTMGOHZICM-WMZOPIPTSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132311478 1375290083 /nfs/dbraw/zinc/29/00/83/1375290083.db2.gz URFDLTMGOHZICM-WMZOPIPTSA-N 2 1 339.568 3.370 20 0 EGADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](C/C=C\Cl)C1 ZINC001132364902 1375329440 /nfs/dbraw/zinc/32/94/40/1375329440.db2.gz GOZJUYBYIDDDGN-RIDHJDLKSA-N 2 1 343.943 3.220 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](C/C=C\Cl)C1 ZINC001132364902 1375329449 /nfs/dbraw/zinc/32/94/49/1375329449.db2.gz GOZJUYBYIDDDGN-RIDHJDLKSA-N 2 1 343.943 3.220 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](C/C=C\Cl)C1 ZINC001132364902 1375329450 /nfs/dbraw/zinc/32/94/50/1375329450.db2.gz GOZJUYBYIDDDGN-RIDHJDLKSA-N 2 1 343.943 3.220 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](C/C=C\Cl)C1 ZINC001132364902 1375329456 /nfs/dbraw/zinc/32/94/56/1375329456.db2.gz GOZJUYBYIDDDGN-RIDHJDLKSA-N 2 1 343.943 3.220 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001132376129 1375338883 /nfs/dbraw/zinc/33/88/83/1375338883.db2.gz JRRKHKIQOFJNHL-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001132381005 1375340828 /nfs/dbraw/zinc/34/08/28/1375340828.db2.gz SXRYSSDXAPQYPV-ZYHOBAKYSA-N 2 1 335.536 3.044 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001226890423 1375353245 /nfs/dbraw/zinc/35/32/45/1375353245.db2.gz NHXIEKXSJUCRPR-XUVXKRRUSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CC1CC2(CCC2)C1 ZINC001132434512 1375377995 /nfs/dbraw/zinc/37/79/95/1375377995.db2.gz XYKVODRVQXKWOQ-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132434009 1375378811 /nfs/dbraw/zinc/37/88/11/1375378811.db2.gz SOPAIXWDUPMWAD-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CC1CCCCC1 ZINC001132433815 1375378916 /nfs/dbraw/zinc/37/89/16/1375378916.db2.gz QMOJCKLYLBXSJM-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CCCC(C)C)C1 ZINC001132436532 1375380978 /nfs/dbraw/zinc/38/09/78/1375380978.db2.gz LWORHLYFTQZAFM-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCC(C)C)C1 ZINC001132436532 1375380980 /nfs/dbraw/zinc/38/09/80/1375380980.db2.gz LWORHLYFTQZAFM-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC(C)C)C1 ZINC001132436532 1375380982 /nfs/dbraw/zinc/38/09/82/1375380982.db2.gz LWORHLYFTQZAFM-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1 ZINC001227218516 1375408292 /nfs/dbraw/zinc/40/82/92/1375408292.db2.gz WWIWHDPHJOBTFW-QZTJIDSGSA-N 2 1 335.536 3.066 20 0 EGADMP CCc1cccc(C[N@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)c1 ZINC001132522465 1375439239 /nfs/dbraw/zinc/43/92/39/1375439239.db2.gz PEDIZGSCRNGPBQ-YLJYHZDGSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1cccc(C[NH+]2C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]2C)c1 ZINC001132522465 1375439242 /nfs/dbraw/zinc/43/92/42/1375439242.db2.gz PEDIZGSCRNGPBQ-YLJYHZDGSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1cccc(C[NH+]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]2C)c1 ZINC001132522465 1375439244 /nfs/dbraw/zinc/43/92/44/1375439244.db2.gz PEDIZGSCRNGPBQ-YLJYHZDGSA-N 2 1 345.531 3.058 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CC1CCCC1 ZINC001132526223 1375442635 /nfs/dbraw/zinc/44/26/35/1375442635.db2.gz ZJENHCRLSIHKCB-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541144 1375448754 /nfs/dbraw/zinc/44/87/54/1375448754.db2.gz AOQJEYHSLPMPPA-UYAOXDASSA-N 2 1 345.531 3.278 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541144 1375448757 /nfs/dbraw/zinc/44/87/57/1375448757.db2.gz AOQJEYHSLPMPPA-UYAOXDASSA-N 2 1 345.531 3.278 20 0 EGADMP CCCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541144 1375448762 /nfs/dbraw/zinc/44/87/62/1375448762.db2.gz AOQJEYHSLPMPPA-UYAOXDASSA-N 2 1 345.531 3.278 20 0 EGADMP CCCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541144 1375448763 /nfs/dbraw/zinc/44/87/63/1375448763.db2.gz AOQJEYHSLPMPPA-UYAOXDASSA-N 2 1 345.531 3.278 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[N@H+]1CC1CCCC1 ZINC001132549312 1375455539 /nfs/dbraw/zinc/45/55/39/1375455539.db2.gz QFLFCNUBMXOBSH-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF)C1CCCCC1 ZINC001227734992 1375468086 /nfs/dbraw/zinc/46/80/86/1375468086.db2.gz WTKHQLCEYGCVSZ-QZTJIDSGSA-N 2 1 341.515 3.018 20 0 EGADMP CCC/C=C\CC[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001227876772 1375486121 /nfs/dbraw/zinc/48/61/21/1375486121.db2.gz KOHSTBFLDTVNOO-SFFCAUCYSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790658 1375565712 /nfs/dbraw/zinc/56/57/12/1375565712.db2.gz IZXIRTSCXWIGMJ-IEBWSBKVSA-N 2 1 337.552 3.172 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1)CC(C)(C)C ZINC001228623540 1375620904 /nfs/dbraw/zinc/62/09/04/1375620904.db2.gz CXBHNYWUVZMQRD-RTBURBONSA-N 2 1 345.531 3.182 20 0 EGADMP C[N@@H+]1CCC[C@@H](Oc2ccc3c(n2)C[NH+](Cc2ccccc2)CC3)C1 ZINC001229058131 1375753944 /nfs/dbraw/zinc/75/39/44/1375753944.db2.gz WAXDHNLTUZIUQF-LJQANCHMSA-N 2 1 337.467 3.113 20 0 EGADMP C[N@H+]1CCC[C@@H](Oc2ccc3c(n2)C[NH+](Cc2ccccc2)CC3)C1 ZINC001229058131 1375753950 /nfs/dbraw/zinc/75/39/50/1375753950.db2.gz WAXDHNLTUZIUQF-LJQANCHMSA-N 2 1 337.467 3.113 20 0 EGADMP C[NH+]1CCC[C@@H](Oc2ccc3c(n2)C[N@@H+](Cc2ccccc2)CC3)C1 ZINC001229058131 1375753955 /nfs/dbraw/zinc/75/39/55/1375753955.db2.gz WAXDHNLTUZIUQF-LJQANCHMSA-N 2 1 337.467 3.113 20 0 EGADMP C[NH+]1CCC[C@@H](Oc2ccc3c(n2)C[N@H+](Cc2ccccc2)CC3)C1 ZINC001229058131 1375753964 /nfs/dbraw/zinc/75/39/64/1375753964.db2.gz WAXDHNLTUZIUQF-LJQANCHMSA-N 2 1 337.467 3.113 20 0 EGADMP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133143265 1375803713 /nfs/dbraw/zinc/80/37/13/1375803713.db2.gz SABWINUATZZQDM-ROUUACIJSA-N 2 1 346.519 3.047 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001327145288 1388402899 /nfs/dbraw/zinc/40/28/99/1388402899.db2.gz DPQVPONXCIUWOP-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCCCCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001133262002 1375877331 /nfs/dbraw/zinc/87/73/31/1375877331.db2.gz FIBGKJNGGJCKOU-MOPGFXCFSA-N 2 1 339.568 3.373 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001229852453 1375903788 /nfs/dbraw/zinc/90/37/88/1375903788.db2.gz JCKRJFOVRNWCIR-QZTJIDSGSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)c(C)c1 ZINC001229868767 1375909136 /nfs/dbraw/zinc/90/91/36/1375909136.db2.gz NIYDBUZIMOIPJA-WOJBJXKFSA-N 2 1 345.531 3.162 20 0 EGADMP CCCCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001229984833 1375924896 /nfs/dbraw/zinc/92/48/96/1375924896.db2.gz BVPAQXDFJQWLDL-LJQANCHMSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001230287017 1375983435 /nfs/dbraw/zinc/98/34/35/1375983435.db2.gz VXUGIQPBZZSZHU-GUDVDZBRSA-N 2 1 331.504 3.106 20 0 EGADMP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230284796 1375983821 /nfs/dbraw/zinc/98/38/21/1375983821.db2.gz VIAQZJULHGXUOH-RCCFBDPRSA-N 2 1 325.541 3.026 20 0 EGADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl)c1ccccc1 ZINC001230286105 1375984939 /nfs/dbraw/zinc/98/49/39/1375984939.db2.gz AQHDCVDXNRVNPT-HQNGXXGUSA-N 2 1 349.906 3.059 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1)c1ccccc1 ZINC001230287172 1375986007 /nfs/dbraw/zinc/98/60/07/1375986007.db2.gz YIVVVZAZXDXVEG-VAMGGRTRSA-N 2 1 343.515 3.106 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(CC[NH2+]C(C)C)Cc1cccc(Cl)c1 ZINC001133410685 1375994187 /nfs/dbraw/zinc/99/41/87/1375994187.db2.gz VHXWGCNZRGXUAJ-UHFFFAOYSA-N 2 1 339.911 3.008 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@H+]2CC2=CCCCC2)CC1 ZINC001230592006 1376089922 /nfs/dbraw/zinc/08/99/22/1376089922.db2.gz PGXZHLWZPMFUKX-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP CCCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230598110 1376092743 /nfs/dbraw/zinc/09/27/43/1376092743.db2.gz FOXMCYWFDQZVIA-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@H+]2CCCC2CCC2)CC1 ZINC001230598523 1376094765 /nfs/dbraw/zinc/09/47/65/1376094765.db2.gz REGDKJGPYJWLED-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230617859 1376104289 /nfs/dbraw/zinc/10/42/89/1376104289.db2.gz GZSFYOOSTUSLDG-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001230617859 1376104293 /nfs/dbraw/zinc/10/42/93/1376104293.db2.gz GZSFYOOSTUSLDG-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001230617859 1376104297 /nfs/dbraw/zinc/10/42/97/1376104297.db2.gz GZSFYOOSTUSLDG-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001230622798 1376104999 /nfs/dbraw/zinc/10/49/99/1376104999.db2.gz QWHLYBSVEJYSLI-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001230622798 1376105002 /nfs/dbraw/zinc/10/50/02/1376105002.db2.gz QWHLYBSVEJYSLI-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230622798 1376105004 /nfs/dbraw/zinc/10/50/04/1376105004.db2.gz QWHLYBSVEJYSLI-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OC(F)(F)C(F)F)cc3)C[C@H]2C1 ZINC001231829292 1376323466 /nfs/dbraw/zinc/32/34/66/1376323466.db2.gz VIVGDTLXVWTYJG-ZIAGYGMSSA-N 2 1 346.368 3.307 20 0 EGADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc(OC(F)(F)C(F)F)cc3)C2)C1 ZINC001231826679 1376323706 /nfs/dbraw/zinc/32/37/06/1376323706.db2.gz LKLVFZPXPGWMOC-MRXNPFEDSA-N 2 1 346.368 3.451 20 0 EGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OC(F)(F)C(F)F)cc3)C2)C1 ZINC001231826679 1376323713 /nfs/dbraw/zinc/32/37/13/1376323713.db2.gz LKLVFZPXPGWMOC-MRXNPFEDSA-N 2 1 346.368 3.451 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OC(F)(F)C(F)F)cc3)C2)C1 ZINC001231826679 1376323722 /nfs/dbraw/zinc/32/37/22/1376323722.db2.gz LKLVFZPXPGWMOC-MRXNPFEDSA-N 2 1 346.368 3.451 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(OC(F)(F)C(F)F)cc3)C2)C1 ZINC001231826679 1376323733 /nfs/dbraw/zinc/32/37/33/1376323733.db2.gz LKLVFZPXPGWMOC-MRXNPFEDSA-N 2 1 346.368 3.451 20 0 EGADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012351 1376382474 /nfs/dbraw/zinc/38/24/74/1376382474.db2.gz ZNWBXSNRKGLRTA-CQSZACIVSA-N 2 1 344.459 3.252 20 0 EGADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012351 1376382478 /nfs/dbraw/zinc/38/24/78/1376382478.db2.gz ZNWBXSNRKGLRTA-CQSZACIVSA-N 2 1 344.459 3.252 20 0 EGADMP CC[N@@H+](CCn1ccnc1)Cc1c[nH]c2cc(Br)ncc12 ZINC001232863111 1376525628 /nfs/dbraw/zinc/52/56/28/1376525628.db2.gz NXEQHKAQRHYSOX-UHFFFAOYSA-N 2 1 348.248 3.044 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)ccc2[nH]1 ZINC001235041008 1376838162 /nfs/dbraw/zinc/83/81/62/1376838162.db2.gz WCQSNVRKHMEURY-FQEVSTJZSA-N 2 1 341.455 3.063 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CCCC[C@@]34CC[NH2+]C4)C2)cc1 ZINC001235120403 1376851416 /nfs/dbraw/zinc/85/14/16/1376851416.db2.gz AQVLJENAOBOOPA-RTWAWAEBSA-N 2 1 327.516 3.117 20 0 EGADMP CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001235339256 1376868157 /nfs/dbraw/zinc/86/81/57/1376868157.db2.gz XSTSNTBDHNOVGR-OALUTQOASA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001235339256 1376868163 /nfs/dbraw/zinc/86/81/63/1376868163.db2.gz XSTSNTBDHNOVGR-OALUTQOASA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001235339256 1376868167 /nfs/dbraw/zinc/86/81/67/1376868167.db2.gz XSTSNTBDHNOVGR-OALUTQOASA-N 2 1 337.552 3.362 20 0 EGADMP CCOC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235429636 1376870129 /nfs/dbraw/zinc/87/01/29/1376870129.db2.gz BTXDMNQISKJROW-UHFFFAOYSA-N 2 1 338.451 3.245 20 0 EGADMP Clc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1OCO2 ZINC001235430438 1376871660 /nfs/dbraw/zinc/87/16/60/1376871660.db2.gz SYVXDTPKHYCBIK-CABCVRRESA-N 2 1 336.863 3.280 20 0 EGADMP COc1ccc2[nH]cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235431109 1376872403 /nfs/dbraw/zinc/87/24/03/1376872403.db2.gz UQILFCRQBGJZDJ-HZPDHXFCSA-N 2 1 327.472 3.388 20 0 EGADMP Fc1cccc(CN2CC[C@@]23CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C3)c1 ZINC001235629175 1376879778 /nfs/dbraw/zinc/87/97/78/1376879778.db2.gz PASAJMNHRJVHFD-WIYYLYMNSA-N 2 1 345.506 3.256 20 0 EGADMP Clc1ccc([C@H]2CC[N@@H+](CC[C@H]3C[NH2+]CCO3)C2)cc1Cl ZINC001235882995 1376909692 /nfs/dbraw/zinc/90/96/92/1376909692.db2.gz WEQIYIICHLROBI-KBPBESRZSA-N 2 1 329.271 3.161 20 0 EGADMP FC1(C[N@H+]2CC[C@@H](c3ccc(Br)cc3)C2)CC[NH2+]CC1 ZINC001235883184 1376910132 /nfs/dbraw/zinc/91/01/32/1376910132.db2.gz ZHJOOSBCMVRPIN-CQSZACIVSA-N 2 1 341.268 3.330 20 0 EGADMP CCCCCOc1ccc(C[N@H+](CCOC)C2CC[NH2+]CC2)cc1 ZINC001235946706 1376922393 /nfs/dbraw/zinc/92/23/93/1376922393.db2.gz QDLBVTASOKUSOJ-UHFFFAOYSA-N 2 1 334.504 3.456 20 0 EGADMP CCCCCOc1ccc(C[N@@H+](CCOC)C2CC[NH2+]CC2)cc1 ZINC001235946706 1376922396 /nfs/dbraw/zinc/92/23/96/1376922396.db2.gz QDLBVTASOKUSOJ-UHFFFAOYSA-N 2 1 334.504 3.456 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3CN(Cc4ccc5c(c4)C[NH2+]C5)CC[C@@H]3C2)cc1 ZINC001236182933 1376939803 /nfs/dbraw/zinc/93/98/03/1376939803.db2.gz AVPXNEDUJCICCL-FYYLOGMGSA-N 2 1 347.506 3.244 20 0 EGADMP CCC[N@@H+](Cc1ccnc(OCc2ccccc2)c1)C[C@@H]1CC[NH2+]C1 ZINC001236844011 1376965516 /nfs/dbraw/zinc/96/55/16/1376965516.db2.gz OZBSPJZXVSEEBM-HXUWFJFHSA-N 2 1 339.483 3.482 20 0 EGADMP CCC[N@H+](Cc1ccnc(OCc2ccccc2)c1)C[C@@H]1CC[NH2+]C1 ZINC001236844011 1376965519 /nfs/dbraw/zinc/96/55/19/1376965519.db2.gz OZBSPJZXVSEEBM-HXUWFJFHSA-N 2 1 339.483 3.482 20 0 EGADMP CCC[N@@H+](Cc1ccc(OCc2ccccc2)cn1)C[C@@H]1CC[NH2+]C1 ZINC001236844338 1376966829 /nfs/dbraw/zinc/96/68/29/1376966829.db2.gz UFRMTONAYWJHSC-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP CCC[N@H+](Cc1ccc(OCc2ccccc2)cn1)C[C@@H]1CC[NH2+]C1 ZINC001236844338 1376966833 /nfs/dbraw/zinc/96/68/33/1376966833.db2.gz UFRMTONAYWJHSC-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+]Cc1ccccc1C(C)C ZINC001135305328 1377028107 /nfs/dbraw/zinc/02/81/07/1377028107.db2.gz RCSZCTARPJUSQJ-UHFFFAOYSA-N 2 1 342.487 3.001 20 0 EGADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CCN[C@H](c2ccccc2)C1 ZINC001246546430 1377051947 /nfs/dbraw/zinc/05/19/47/1377051947.db2.gz KCVLOMRVWBLLJB-OALUTQOASA-N 2 1 338.451 3.383 20 0 EGADMP C[N@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246546430 1377051953 /nfs/dbraw/zinc/05/19/53/1377051953.db2.gz KCVLOMRVWBLLJB-OALUTQOASA-N 2 1 338.451 3.383 20 0 EGADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246546430 1377051956 /nfs/dbraw/zinc/05/19/56/1377051956.db2.gz KCVLOMRVWBLLJB-OALUTQOASA-N 2 1 338.451 3.383 20 0 EGADMP COc1ccc([C@@H]2C[C@@H]([N@H+]3CCC[C@@](F)(C[NH3+])CC3)CCO2)cc1 ZINC001246546387 1377052398 /nfs/dbraw/zinc/05/23/98/1377052398.db2.gz GHMWBKOLBCGKOK-WDSOQIARSA-N 2 1 336.451 3.068 20 0 EGADMP COC(=O)C1CCC([N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246937511 1377055665 /nfs/dbraw/zinc/05/56/65/1377055665.db2.gz PKMXYTLTOHJYSR-KVZIAJEVSA-N 2 1 348.462 3.112 20 0 EGADMP COC(=O)C1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246937511 1377055668 /nfs/dbraw/zinc/05/56/68/1377055668.db2.gz PKMXYTLTOHJYSR-KVZIAJEVSA-N 2 1 348.462 3.112 20 0 EGADMP CCc1ccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)cc1 ZINC001247909771 1377065299 /nfs/dbraw/zinc/06/52/99/1377065299.db2.gz QKMKNWFQEKPDJN-UHFFFAOYSA-N 2 1 340.471 3.230 20 0 EGADMP C[N@H+]1CCC[C@H](N2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526679 1377106380 /nfs/dbraw/zinc/10/63/80/1377106380.db2.gz STROCVWABRHPKW-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@H](N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001254526679 1377106383 /nfs/dbraw/zinc/10/63/83/1377106383.db2.gz STROCVWABRHPKW-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@H](N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001254526679 1377106384 /nfs/dbraw/zinc/10/63/84/1377106384.db2.gz STROCVWABRHPKW-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP Cc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135468441 1377107667 /nfs/dbraw/zinc/10/76/67/1377107667.db2.gz PLIAQQOIVHLSMU-ZWKOTPCHSA-N 2 1 345.531 3.100 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135478174 1377111517 /nfs/dbraw/zinc/11/15/17/1377111517.db2.gz ZRVAMCCYGIDPIL-HZPDHXFCSA-N 2 1 337.552 3.027 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC1CCC1 ZINC001135583834 1377155080 /nfs/dbraw/zinc/15/50/80/1377155080.db2.gz FZOUPNKOJXCPCD-IRXDYDNUSA-N 2 1 348.535 3.460 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC1 ZINC001135601437 1377159307 /nfs/dbraw/zinc/15/93/07/1377159307.db2.gz UKCLJUPIWXWEEG-HOTGVXAUSA-N 2 1 334.508 3.070 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001135680554 1377182970 /nfs/dbraw/zinc/18/29/70/1377182970.db2.gz XKRAICLGNJRLSM-CVEARBPZSA-N 2 1 348.535 3.281 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001135861144 1377238206 /nfs/dbraw/zinc/23/82/06/1377238206.db2.gz MTVAMDBZEYPEFT-HUUCEWRRSA-N 2 1 339.911 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135977777 1377285138 /nfs/dbraw/zinc/28/51/38/1377285138.db2.gz YWCJBNISROXVFH-MSOLQXFVSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135980298 1377286543 /nfs/dbraw/zinc/28/65/43/1377286543.db2.gz NGRMFVFWABEAHK-IAGOWNOFSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(CC)c1 ZINC001135992875 1377291296 /nfs/dbraw/zinc/29/12/96/1377291296.db2.gz WBHJQGGPPPCXMZ-ZWKOTPCHSA-N 2 1 347.547 3.354 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC001135995625 1377292203 /nfs/dbraw/zinc/29/22/03/1377292203.db2.gz IRSZKGKHTRKKOG-SJORKVTESA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001266819649 1377385910 /nfs/dbraw/zinc/38/59/10/1377385910.db2.gz COCUGHBLYUWHNJ-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C2CC2)cc1 ZINC001136541558 1377403532 /nfs/dbraw/zinc/40/35/32/1377403532.db2.gz FWXYRSKCXDMISI-HXUWFJFHSA-N 2 1 343.515 3.052 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001266987433 1377408092 /nfs/dbraw/zinc/40/80/92/1377408092.db2.gz PTEBCHDZADREKL-CQSZACIVSA-N 2 1 347.547 3.165 20 0 EGADMP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1[nH]nc2ccccc21 ZINC001137350756 1377529209 /nfs/dbraw/zinc/52/92/09/1377529209.db2.gz GAQBLPZUQLRKJV-UHFFFAOYSA-N 2 1 345.535 3.049 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCC1C[NH+](CCCC(C)(C)C)C1)c1ccccc1 ZINC001268916648 1377531812 /nfs/dbraw/zinc/53/18/12/1377531812.db2.gz CJJFBDJLHKAASI-IBGZPJMESA-N 2 1 345.531 3.164 20 0 EGADMP c1nc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cs1 ZINC001137599496 1377570558 /nfs/dbraw/zinc/57/05/58/1377570558.db2.gz XBBPDFMGINLYRW-ROUUACIJSA-N 2 1 327.497 3.487 20 0 EGADMP c1nc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cs1 ZINC001137599496 1377570561 /nfs/dbraw/zinc/57/05/61/1377570561.db2.gz XBBPDFMGINLYRW-ROUUACIJSA-N 2 1 327.497 3.487 20 0 EGADMP c1nc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cs1 ZINC001137599496 1377570563 /nfs/dbraw/zinc/57/05/63/1377570563.db2.gz XBBPDFMGINLYRW-ROUUACIJSA-N 2 1 327.497 3.487 20 0 EGADMP c1nc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cs1 ZINC001137599496 1377570566 /nfs/dbraw/zinc/57/05/66/1377570566.db2.gz XBBPDFMGINLYRW-ROUUACIJSA-N 2 1 327.497 3.487 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(C)cccc1C)C2 ZINC001137849018 1377630438 /nfs/dbraw/zinc/63/04/38/1377630438.db2.gz APDXIGBSZKALLO-IRLDBZIGSA-N 2 1 342.527 3.484 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1c(C)cccc1C)C2 ZINC001137849018 1377630442 /nfs/dbraw/zinc/63/04/42/1377630442.db2.gz APDXIGBSZKALLO-IRLDBZIGSA-N 2 1 342.527 3.484 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1c(C)cccc1C)C2 ZINC001137849018 1377630444 /nfs/dbraw/zinc/63/04/44/1377630444.db2.gz APDXIGBSZKALLO-IRLDBZIGSA-N 2 1 342.527 3.484 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC[NH+](C)Cc2ccc(C)cc2)C1 ZINC001272093374 1377656743 /nfs/dbraw/zinc/65/67/43/1377656743.db2.gz PJZUOANCCIQYQL-HXUWFJFHSA-N 2 1 345.531 3.007 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2c1C[NH+](C1CC1)C2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001137992906 1377660013 /nfs/dbraw/zinc/66/00/13/1377660013.db2.gz TVZPCNPYGJOUEU-ZNMIVQPWSA-N 2 1 327.472 3.364 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2)[NH+]1[C@H](C)CC[C@@H]1C ZINC001137992906 1377660018 /nfs/dbraw/zinc/66/00/18/1377660018.db2.gz TVZPCNPYGJOUEU-ZNMIVQPWSA-N 2 1 327.472 3.364 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2)[NH+]1[C@H](C)CC[C@@H]1C ZINC001137992906 1377660021 /nfs/dbraw/zinc/66/00/21/1377660021.db2.gz TVZPCNPYGJOUEU-ZNMIVQPWSA-N 2 1 327.472 3.364 20 0 EGADMP C[NH+]1CCC2(C[NH+](Cc3c[nH]c4ccc(Br)cc34)C2)CC1 ZINC001138321851 1377701851 /nfs/dbraw/zinc/70/18/51/1377701851.db2.gz LVHUPMNOXKLKHE-UHFFFAOYSA-N 2 1 348.288 3.458 20 0 EGADMP COc1cc(C)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001138441817 1377725059 /nfs/dbraw/zinc/72/50/59/1377725059.db2.gz USLDAVCYKXFRBH-QGZVFWFLSA-N 2 1 342.439 3.369 20 0 EGADMP COc1cc(C)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001138441817 1377725061 /nfs/dbraw/zinc/72/50/61/1377725061.db2.gz USLDAVCYKXFRBH-QGZVFWFLSA-N 2 1 342.439 3.369 20 0 EGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2C1 ZINC001139082887 1377827016 /nfs/dbraw/zinc/82/70/16/1377827016.db2.gz DQRRXJRWUNXNIJ-HDICACEKSA-N 2 1 338.455 3.043 20 0 EGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2C1 ZINC001139082887 1377827018 /nfs/dbraw/zinc/82/70/18/1377827018.db2.gz DQRRXJRWUNXNIJ-HDICACEKSA-N 2 1 338.455 3.043 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2C1 ZINC001139082887 1377827019 /nfs/dbraw/zinc/82/70/19/1377827019.db2.gz DQRRXJRWUNXNIJ-HDICACEKSA-N 2 1 338.455 3.043 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2C1 ZINC001139082887 1377827020 /nfs/dbraw/zinc/82/70/20/1377827020.db2.gz DQRRXJRWUNXNIJ-HDICACEKSA-N 2 1 338.455 3.043 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2C1 ZINC001139082887 1377827022 /nfs/dbraw/zinc/82/70/22/1377827022.db2.gz DQRRXJRWUNXNIJ-HDICACEKSA-N 2 1 338.455 3.043 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(F)c2ccccc12 ZINC001139891603 1377973280 /nfs/dbraw/zinc/97/32/80/1377973280.db2.gz ZTUUXQWRZWMGAS-LEWJYISDSA-N 2 1 341.474 3.189 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(F)cc1C)C2 ZINC001140778152 1378134196 /nfs/dbraw/zinc/13/41/96/1378134196.db2.gz KMPGCBZIOBSQOY-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)cc1C)C2 ZINC001140778152 1378134197 /nfs/dbraw/zinc/13/41/97/1378134197.db2.gz KMPGCBZIOBSQOY-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)cc1C)C2 ZINC001140778152 1378134198 /nfs/dbraw/zinc/13/41/98/1378134198.db2.gz KMPGCBZIOBSQOY-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(F)cc1C)C2 ZINC001140778152 1378134199 /nfs/dbraw/zinc/13/41/99/1378134199.db2.gz KMPGCBZIOBSQOY-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(F)cc1C)C2 ZINC001140778152 1378134200 /nfs/dbraw/zinc/13/42/00/1378134200.db2.gz KMPGCBZIOBSQOY-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1cc(Br)c(F)cc1CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001140791399 1378137294 /nfs/dbraw/zinc/13/72/94/1378137294.db2.gz JSZGLYFDAIMYIR-OCCSQVGLSA-N 2 1 341.268 3.280 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140801558 1378141273 /nfs/dbraw/zinc/14/12/73/1378141273.db2.gz RROJVOYZLOXBJT-DLBZAZTESA-N 2 1 342.443 3.147 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140801558 1378141275 /nfs/dbraw/zinc/14/12/75/1378141275.db2.gz RROJVOYZLOXBJT-DLBZAZTESA-N 2 1 342.443 3.147 20 0 EGADMP COC(=O)N1CCC2(CC1)CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140801888 1378142038 /nfs/dbraw/zinc/14/20/38/1378142038.db2.gz JSECSHYQRSGZHA-UHFFFAOYSA-N 2 1 342.443 3.007 20 0 EGADMP Cc1ncsc1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cnoc3)(C1)CCC2 ZINC001276253984 1378170135 /nfs/dbraw/zinc/17/01/35/1378170135.db2.gz SWRUJZWAWZGVKP-SJORKVTESA-N 2 1 332.473 3.164 20 0 EGADMP CC[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1)[NH+](CC)CC ZINC001140895873 1378174362 /nfs/dbraw/zinc/17/43/62/1378174362.db2.gz HKYUAWPNFODAEF-UYAOXDASSA-N 2 1 345.531 3.087 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(CN2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)c1 ZINC001276576521 1378180301 /nfs/dbraw/zinc/18/03/01/1378180301.db2.gz GNFHQNPWRXYMLQ-GHTZIAJQSA-N 2 1 345.506 3.336 20 0 EGADMP C[NH+]1CCC(NC(=O)[C@H]2CCC[C@]23CC[N@@H+](CCC(C)(C)C)C3)CC1 ZINC001277254605 1378212732 /nfs/dbraw/zinc/21/27/32/1378212732.db2.gz UXVSAUZVELZLKR-WIYYLYMNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCC(N2CCC3(CC[N@@H+](CCCC(F)(F)F)C3)CC2)CC1 ZINC001277624641 1378240744 /nfs/dbraw/zinc/24/07/44/1378240744.db2.gz FWILPGZQRLAWIY-UHFFFAOYSA-N 2 1 347.469 3.211 20 0 EGADMP C[NH+]1CCC([NH+]2CCC3(CC[N@H+](CCCC(F)(F)F)C3)CC2)CC1 ZINC001277624641 1378240747 /nfs/dbraw/zinc/24/07/47/1378240747.db2.gz FWILPGZQRLAWIY-UHFFFAOYSA-N 3 1 347.469 3.211 20 0 EGADMP C[NH+]1CCC([NH+]2CCC3(CC[N@@H+](CCCC(F)(F)F)C3)CC2)CC1 ZINC001277624641 1378240751 /nfs/dbraw/zinc/24/07/51/1378240751.db2.gz FWILPGZQRLAWIY-UHFFFAOYSA-N 3 1 347.469 3.211 20 0 EGADMP CN1CCC([NH+]2CCC3(CC[N@H+](CCCC(F)(F)F)C3)CC2)CC1 ZINC001277624641 1378240753 /nfs/dbraw/zinc/24/07/53/1378240753.db2.gz FWILPGZQRLAWIY-UHFFFAOYSA-N 2 1 347.469 3.211 20 0 EGADMP CN1CCC([NH+]2CCC3(CC[N@@H+](CCCC(F)(F)F)C3)CC2)CC1 ZINC001277624641 1378240759 /nfs/dbraw/zinc/24/07/59/1378240759.db2.gz FWILPGZQRLAWIY-UHFFFAOYSA-N 2 1 347.469 3.211 20 0 EGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccnc4ccc(OC)cc34)C[C@@H]2C1 ZINC001141152520 1378252177 /nfs/dbraw/zinc/25/21/77/1378252177.db2.gz LZZRZUSWXCCMMD-IRXDYDNUSA-N 2 1 325.456 3.017 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CC2CCCCCC2)C1 ZINC001278567607 1378283440 /nfs/dbraw/zinc/28/34/40/1378283440.db2.gz GWJKZNXHSRRBPK-HXUWFJFHSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc(C(F)(F)F)c(OC)c3)C[C@H]2C1 ZINC001143352035 1378585095 /nfs/dbraw/zinc/58/50/95/1378585095.db2.gz GHYSLCOAKBBITF-GASCZTMLSA-N 2 1 342.405 3.488 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5cc[nH]c5n4)C[C@@H]3C2)cc1 ZINC001144176809 1378692977 /nfs/dbraw/zinc/69/29/77/1378692977.db2.gz LYLCEJWTOKFHCI-PMACEKPBSA-N 2 1 346.478 3.435 20 0 EGADMP Oc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)nc1 ZINC001144269255 1378707863 /nfs/dbraw/zinc/70/78/63/1378707863.db2.gz IHJIVZAMMVVSAV-MOPGFXCFSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)nc1 ZINC001144269255 1378707865 /nfs/dbraw/zinc/70/78/65/1378707865.db2.gz IHJIVZAMMVVSAV-MOPGFXCFSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)nc1 ZINC001144269255 1378707867 /nfs/dbraw/zinc/70/78/67/1378707867.db2.gz IHJIVZAMMVVSAV-MOPGFXCFSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC001144269257 1378708001 /nfs/dbraw/zinc/70/80/01/1378708001.db2.gz IHJIVZAMMVVSAV-RBUKOAKNSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC001144269257 1378708002 /nfs/dbraw/zinc/70/80/02/1378708002.db2.gz IHJIVZAMMVVSAV-RBUKOAKNSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC001144269257 1378708003 /nfs/dbraw/zinc/70/80/03/1378708003.db2.gz IHJIVZAMMVVSAV-RBUKOAKNSA-N 2 1 337.467 3.131 20 0 EGADMP COc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)nc1 ZINC001144420063 1378729328 /nfs/dbraw/zinc/72/93/28/1378729328.db2.gz RZUPNFHVQNKLIX-UHFFFAOYSA-N 2 1 348.450 3.269 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001146332989 1378819367 /nfs/dbraw/zinc/81/93/67/1378819367.db2.gz LLLPPCFVBMGCAD-CVEARBPZSA-N 2 1 346.519 3.035 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCc1ccccc1 ZINC001146591916 1378873270 /nfs/dbraw/zinc/87/32/70/1378873270.db2.gz IHCMMXDHUBGHBT-OALUTQOASA-N 2 1 347.547 3.222 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001146594462 1378874768 /nfs/dbraw/zinc/87/47/68/1378874768.db2.gz SQONJWSRQVBSJQ-IRXDYDNUSA-N 2 1 339.568 3.416 20 0 EGADMP CC(C)CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706353 1378903189 /nfs/dbraw/zinc/90/31/89/1378903189.db2.gz DCYQSAYZHJJKJB-RBUKOAKNSA-N 2 1 347.547 3.428 20 0 EGADMP CC(C)CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706353 1378903191 /nfs/dbraw/zinc/90/31/91/1378903191.db2.gz DCYQSAYZHJJKJB-RBUKOAKNSA-N 2 1 347.547 3.428 20 0 EGADMP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706562 1378903706 /nfs/dbraw/zinc/90/37/06/1378903706.db2.gz HAWCTHZHUKCFSP-QZTJIDSGSA-N 2 1 333.520 3.182 20 0 EGADMP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706562 1378903712 /nfs/dbraw/zinc/90/37/12/1378903712.db2.gz HAWCTHZHUKCFSP-QZTJIDSGSA-N 2 1 333.520 3.182 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1ccccc1C ZINC001147357992 1379008589 /nfs/dbraw/zinc/00/85/89/1379008589.db2.gz BTDBQCLCNJOHEM-UYAOXDASSA-N 2 1 345.531 3.416 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCc2ccccc21 ZINC001147359729 1379009085 /nfs/dbraw/zinc/00/90/85/1379009085.db2.gz URHKYPGOYQYZLG-VQTJNVASSA-N 2 1 343.515 3.034 20 0 EGADMP CC[C@H](C(=O)NCc1ccc2c(c1)C[N@@H+](C[C@@H](C)CC)C2)[NH+](C)C ZINC001327695974 1388585820 /nfs/dbraw/zinc/58/58/20/1388585820.db2.gz MRHHLCVKOQJIFS-HNAYVOBHSA-N 2 1 331.504 3.005 20 0 EGADMP CC/C=C\CC[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147717567 1379065720 /nfs/dbraw/zinc/06/57/20/1379065720.db2.gz ZRXXHQLNMKRDHG-VOFKWLDRSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C\CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147717567 1379065727 /nfs/dbraw/zinc/06/57/27/1379065727.db2.gz ZRXXHQLNMKRDHG-VOFKWLDRSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C\CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147717567 1379065731 /nfs/dbraw/zinc/06/57/31/1379065731.db2.gz ZRXXHQLNMKRDHG-VOFKWLDRSA-N 2 1 347.547 3.140 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)CC[NH+](CC1CCCCCC1)C2 ZINC001147836371 1379088304 /nfs/dbraw/zinc/08/83/04/1379088304.db2.gz TWXKPJNDIVPUIL-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CC1CCCCCC1)C2 ZINC001147836371 1379088306 /nfs/dbraw/zinc/08/83/06/1379088306.db2.gz TWXKPJNDIVPUIL-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](CC1CCCCCC1)C2 ZINC001147836371 1379088308 /nfs/dbraw/zinc/08/83/08/1379088308.db2.gz TWXKPJNDIVPUIL-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[C@@H](CC[N@H+]2CCC3(CN(C(=O)CCC[NH+](C)C)C3)C2)C1 ZINC001148174839 1379128284 /nfs/dbraw/zinc/12/82/84/1379128284.db2.gz YCQOMNAYBYBWFA-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCCC(C)C)C2)[NH+](CC)CC ZINC001148285141 1379146388 /nfs/dbraw/zinc/14/63/88/1379146388.db2.gz NYRJOVQUVGMUGL-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148315517 1379151024 /nfs/dbraw/zinc/15/10/24/1379151024.db2.gz NEVVSNAZZJEPJE-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001148315517 1379151027 /nfs/dbraw/zinc/15/10/27/1379151027.db2.gz NEVVSNAZZJEPJE-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001148315517 1379151030 /nfs/dbraw/zinc/15/10/30/1379151030.db2.gz NEVVSNAZZJEPJE-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP C[NH+]1CCC(CC(=O)N2CC3(C2)CC[N@@H+](CCCC(C)(C)C)C3)CC1 ZINC001148385017 1379161277 /nfs/dbraw/zinc/16/12/77/1379161277.db2.gz MTFKYDTYBDTYKE-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477547 1379182709 /nfs/dbraw/zinc/18/27/09/1379182709.db2.gz XAOFCDGIGXTHRR-ZBTAVZRMSA-N 2 1 349.563 3.243 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC[C@@H]1CCC[C@@H](C)C1)C2 ZINC001148551727 1379209161 /nfs/dbraw/zinc/20/91/61/1379209161.db2.gz STHWUJTWDCOQGF-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CC[C@@H]1CCC[C@@H](C)C1)C2 ZINC001148551727 1379209165 /nfs/dbraw/zinc/20/91/65/1379209165.db2.gz STHWUJTWDCOQGF-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CC[C@@H]1CCC[C@@H](C)C1)C2 ZINC001148551727 1379209172 /nfs/dbraw/zinc/20/91/72/1379209172.db2.gz STHWUJTWDCOQGF-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001148577728 1379216298 /nfs/dbraw/zinc/21/62/98/1379216298.db2.gz AIXATCBCKHZJHG-KRWDZBQOSA-N 2 1 347.547 3.483 20 0 EGADMP CCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001148583468 1379217545 /nfs/dbraw/zinc/21/75/45/1379217545.db2.gz LHJKOUKLVLGJJE-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001148583468 1379217547 /nfs/dbraw/zinc/21/75/47/1379217547.db2.gz LHJKOUKLVLGJJE-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001148583468 1379217553 /nfs/dbraw/zinc/21/75/53/1379217553.db2.gz LHJKOUKLVLGJJE-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@H]1C ZINC001283925961 1379277367 /nfs/dbraw/zinc/27/73/67/1379277367.db2.gz FKFZTUYCVMELTP-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccccc2C(C)C)C[C@@H]1C ZINC001284018600 1379367561 /nfs/dbraw/zinc/36/75/61/1379367561.db2.gz UKAFECGVTABVHC-PKOBYXMFSA-N 2 1 345.531 3.231 20 0 EGADMP CCCc1ccc(C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC001152391747 1379925580 /nfs/dbraw/zinc/92/55/80/1379925580.db2.gz FLLXFQQAEWAPRR-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCCc1ccc(C[NH+](CC)[C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001152391747 1379925590 /nfs/dbraw/zinc/92/55/90/1379925590.db2.gz FLLXFQQAEWAPRR-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCCc1ccc(C[NH+](CC)[C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001152391747 1379925591 /nfs/dbraw/zinc/92/55/91/1379925591.db2.gz FLLXFQQAEWAPRR-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001153727944 1380119523 /nfs/dbraw/zinc/11/95/23/1380119523.db2.gz ITWNZQRWPIKLOO-AMQGLKLZSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001153727944 1380119524 /nfs/dbraw/zinc/11/95/24/1380119524.db2.gz ITWNZQRWPIKLOO-AMQGLKLZSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001153727944 1380119525 /nfs/dbraw/zinc/11/95/25/1380119525.db2.gz ITWNZQRWPIKLOO-AMQGLKLZSA-N 2 1 337.552 3.434 20 0 EGADMP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153823858 1380137557 /nfs/dbraw/zinc/13/75/57/1380137557.db2.gz BHEWJYFZBUWWHY-VQIMIIECSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153846022 1380142456 /nfs/dbraw/zinc/14/24/56/1380142456.db2.gz AUMKCHJFAANXDC-GOSISDBHSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153846022 1380142458 /nfs/dbraw/zinc/14/24/58/1380142458.db2.gz AUMKCHJFAANXDC-GOSISDBHSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153846022 1380142461 /nfs/dbraw/zinc/14/24/61/1380142461.db2.gz AUMKCHJFAANXDC-GOSISDBHSA-N 2 1 345.531 3.114 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154482101 1380286600 /nfs/dbraw/zinc/28/66/00/1380286600.db2.gz YWOWTFXOZOBHAA-QGZVFWFLSA-N 2 1 333.520 3.031 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](CC)Cc2ccccc2)C1 ZINC001154785057 1380350702 /nfs/dbraw/zinc/35/07/02/1380350702.db2.gz XREUVNOKDBIUSD-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc2ccccc2)C1 ZINC001154785057 1380350705 /nfs/dbraw/zinc/35/07/05/1380350705.db2.gz XREUVNOKDBIUSD-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ccccc2)C1 ZINC001154785057 1380350707 /nfs/dbraw/zinc/35/07/07/1380350707.db2.gz XREUVNOKDBIUSD-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCC(C)C)[NH+](CC)CC ZINC001155180562 1380420310 /nfs/dbraw/zinc/42/03/10/1380420310.db2.gz FNQPGOVRTUAJEG-MSOLQXFVSA-N 2 1 327.557 3.370 20 0 EGADMP CC[N@@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263647 1380430184 /nfs/dbraw/zinc/43/01/84/1380430184.db2.gz UYEMOEADCIKAJJ-QZTJIDSGSA-N 2 1 341.584 3.473 20 0 EGADMP CC[NH+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001155263647 1380430185 /nfs/dbraw/zinc/43/01/85/1380430185.db2.gz UYEMOEADCIKAJJ-QZTJIDSGSA-N 2 1 341.584 3.473 20 0 EGADMP CC[NH+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001155263647 1380430186 /nfs/dbraw/zinc/43/01/86/1380430186.db2.gz UYEMOEADCIKAJJ-QZTJIDSGSA-N 2 1 341.584 3.473 20 0 EGADMP Cc1ccc2c(C)cc(NCC[C@@H]3CCOC34C[NH2+]C4)[nH+]c2c1C ZINC001155478268 1380458376 /nfs/dbraw/zinc/45/83/76/1380458376.db2.gz MALVEOAYUKUNEC-MRXNPFEDSA-N 2 1 325.456 3.341 20 0 EGADMP COc1ccc2[nH+]c(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)cc(C)c2c1 ZINC001155600265 1380471607 /nfs/dbraw/zinc/47/16/07/1380471607.db2.gz WDGMXIGTXHMVDO-QRWLVFNGSA-N 2 1 341.455 3.122 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)C/C=C\Cl ZINC001155877835 1380502018 /nfs/dbraw/zinc/50/20/18/1380502018.db2.gz LHPUWOJEXAVTKI-BLIJAFNYSA-N 2 1 331.932 3.078 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)C/C=C\Cl ZINC001155877835 1380502020 /nfs/dbraw/zinc/50/20/20/1380502020.db2.gz LHPUWOJEXAVTKI-BLIJAFNYSA-N 2 1 331.932 3.078 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)C/C=C\Cl ZINC001155877835 1380502022 /nfs/dbraw/zinc/50/20/22/1380502022.db2.gz LHPUWOJEXAVTKI-BLIJAFNYSA-N 2 1 331.932 3.078 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155994235 1380511521 /nfs/dbraw/zinc/51/15/21/1380511521.db2.gz MDYFQQUNRJCZBO-GOSISDBHSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155993924 1380511669 /nfs/dbraw/zinc/51/16/69/1380511669.db2.gz AUTNXIJDAVBNCU-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131364 1380529154 /nfs/dbraw/zinc/52/91/54/1380529154.db2.gz MYVTYVIFTGPAOS-GOSISDBHSA-N 2 1 339.568 3.370 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001156341983 1380561633 /nfs/dbraw/zinc/56/16/33/1380561633.db2.gz PZNCTPBUSVZXAF-XLIONFOSSA-N 2 1 333.520 3.090 20 0 EGADMP CC[N@@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374772 1380566933 /nfs/dbraw/zinc/56/69/33/1380566933.db2.gz WYZNFJHMSKRHAB-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156374772 1380566934 /nfs/dbraw/zinc/56/69/34/1380566934.db2.gz WYZNFJHMSKRHAB-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156374772 1380566937 /nfs/dbraw/zinc/56/69/37/1380566937.db2.gz WYZNFJHMSKRHAB-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1cccc(CC)c1 ZINC001156517364 1380587075 /nfs/dbraw/zinc/58/70/75/1380587075.db2.gz WFCITOSKIAPTDJ-GOSISDBHSA-N 2 1 347.547 3.308 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(CC)c1 ZINC001156517364 1380587078 /nfs/dbraw/zinc/58/70/78/1380587078.db2.gz WFCITOSKIAPTDJ-GOSISDBHSA-N 2 1 347.547 3.308 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(CC)c1 ZINC001156517364 1380587080 /nfs/dbraw/zinc/58/70/80/1380587080.db2.gz WFCITOSKIAPTDJ-GOSISDBHSA-N 2 1 347.547 3.308 20 0 EGADMP CCCc1ccc(C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]2CCCC2)cc1 ZINC001156928005 1380731290 /nfs/dbraw/zinc/73/12/90/1380731290.db2.gz RPFIWCPBILGTRF-GOSISDBHSA-N 2 1 345.531 3.062 20 0 EGADMP CC[N@@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109040 1380776799 /nfs/dbraw/zinc/77/67/99/1380776799.db2.gz HHRULWBKZNNPFQ-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001157109040 1380776802 /nfs/dbraw/zinc/77/68/02/1380776802.db2.gz HHRULWBKZNNPFQ-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](Cc1ccccc1Cl)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113269 1380778962 /nfs/dbraw/zinc/77/89/62/1380778962.db2.gz GAUVYVHJDOGLGD-OAHLLOKOSA-N 2 1 339.911 3.007 20 0 EGADMP CC[NH+](Cc1ccccc1Cl)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157113269 1380778966 /nfs/dbraw/zinc/77/89/66/1380778966.db2.gz GAUVYVHJDOGLGD-OAHLLOKOSA-N 2 1 339.911 3.007 20 0 EGADMP CC[NH+](Cc1ccccc1Cl)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157113269 1380778971 /nfs/dbraw/zinc/77/89/71/1380778971.db2.gz GAUVYVHJDOGLGD-OAHLLOKOSA-N 2 1 339.911 3.007 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157118686 1380780214 /nfs/dbraw/zinc/78/02/14/1380780214.db2.gz KREIGQVODHFCCT-MJGOQNOKSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157119283 1380780937 /nfs/dbraw/zinc/78/09/37/1380780937.db2.gz SMRAGPJAQRTPPC-QUCCMNQESA-N 2 1 349.563 3.434 20 0 EGADMP CC[N@@H+](C/C=C/Cl)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001157119303 1380781306 /nfs/dbraw/zinc/78/13/06/1380781306.db2.gz UGEYABTUNMMVHY-VEUZHWNKSA-N 2 1 343.943 3.076 20 0 EGADMP CCC[NH+]1C[C@@H]2CN(c3ccc([C@@H]4CCCC[N@H+]4CC)cn3)C[C@H]2C1 ZINC001157698060 1381006262 /nfs/dbraw/zinc/00/62/62/1381006262.db2.gz BICCEIIOIKEXOB-AQNXPRMDSA-N 2 1 342.531 3.407 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001157893215 1381062738 /nfs/dbraw/zinc/06/27/38/1381062738.db2.gz BDQHSBBRPBBYGB-QUCCMNQESA-N 2 1 345.531 3.333 20 0 EGADMP C[N@@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001157964928 1381083719 /nfs/dbraw/zinc/08/37/19/1381083719.db2.gz INTRFGNVIJNOQT-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157978191 1381091460 /nfs/dbraw/zinc/09/14/60/1381091460.db2.gz OWIHEMYMJRLLIL-GUDVDZBRSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001157978191 1381091465 /nfs/dbraw/zinc/09/14/65/1381091465.db2.gz OWIHEMYMJRLLIL-GUDVDZBRSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001157978191 1381091469 /nfs/dbraw/zinc/09/14/69/1381091469.db2.gz OWIHEMYMJRLLIL-GUDVDZBRSA-N 2 1 337.552 3.076 20 0 EGADMP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001158038611 1381109533 /nfs/dbraw/zinc/10/95/33/1381109533.db2.gz QAFKPHOVKVNEQU-RTBURBONSA-N 2 1 349.563 3.173 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001158082744 1381123611 /nfs/dbraw/zinc/12/36/11/1381123611.db2.gz JYXDZKUREQZRKD-RTBURBONSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001158082744 1381123615 /nfs/dbraw/zinc/12/36/15/1381123615.db2.gz JYXDZKUREQZRKD-RTBURBONSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001158082744 1381123623 /nfs/dbraw/zinc/12/36/23/1381123623.db2.gz JYXDZKUREQZRKD-RTBURBONSA-N 2 1 337.552 3.364 20 0 EGADMP CC/C=C/CC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158097779 1381127005 /nfs/dbraw/zinc/12/70/05/1381127005.db2.gz DYFCYIWXAXFGOR-OAJJDEHYSA-N 2 1 335.536 3.093 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001158283305 1381184264 /nfs/dbraw/zinc/18/42/64/1381184264.db2.gz JTOTWUUTMIYVDN-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP CCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001158283305 1381184268 /nfs/dbraw/zinc/18/42/68/1381184268.db2.gz JTOTWUUTMIYVDN-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP CCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001158283305 1381184270 /nfs/dbraw/zinc/18/42/70/1381184270.db2.gz JTOTWUUTMIYVDN-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH2+]Cc1ccccc1C ZINC001158354225 1381214411 /nfs/dbraw/zinc/21/44/11/1381214411.db2.gz FICQGJOZWUFPHH-QGZVFWFLSA-N 2 1 342.487 3.001 20 0 EGADMP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001158473044 1381257227 /nfs/dbraw/zinc/25/72/27/1381257227.db2.gz JCCQVSCXXAWWHU-RLWBPELLSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001158473044 1381257231 /nfs/dbraw/zinc/25/72/31/1381257231.db2.gz JCCQVSCXXAWWHU-RLWBPELLSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001158473044 1381257234 /nfs/dbraw/zinc/25/72/34/1381257234.db2.gz JCCQVSCXXAWWHU-RLWBPELLSA-N 2 1 349.563 3.388 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001158507397 1381272317 /nfs/dbraw/zinc/27/23/17/1381272317.db2.gz DYOIKBPGUGMIBR-HXUWFJFHSA-N 2 1 345.531 3.127 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001328282165 1388713018 /nfs/dbraw/zinc/71/30/18/1388713018.db2.gz YBYKWANFJZFLCT-PKOBYXMFSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001328282165 1388713022 /nfs/dbraw/zinc/71/30/22/1388713022.db2.gz YBYKWANFJZFLCT-PKOBYXMFSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001328282165 1388713028 /nfs/dbraw/zinc/71/30/28/1388713028.db2.gz YBYKWANFJZFLCT-PKOBYXMFSA-N 2 1 345.531 3.134 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1cncn1C ZINC001158806586 1381407753 /nfs/dbraw/zinc/40/77/53/1381407753.db2.gz LHTHQYQHECUDRT-LJQANCHMSA-N 2 1 348.535 3.102 20 0 EGADMP Cc1ccc2c(C)cc(NC[C@H]3O[C@H](C(C)C)O[C@@H]3C[NH3+])[nH+]c2c1C ZINC001159243983 1381742084 /nfs/dbraw/zinc/74/20/84/1381742084.db2.gz XKPOVCLHDHLULX-MBOZVWFJSA-N 2 1 343.471 3.297 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001159328610 1381764099 /nfs/dbraw/zinc/76/40/99/1381764099.db2.gz UFMFBDXGXRQKEM-FQEVSTJZSA-N 2 1 345.531 3.280 20 0 EGADMP c1ccc(C[N@@H+]2CC=C(Nc3ccc(N4CC[NH2+]CC4)cc3)CC2)cc1 ZINC001159455249 1381798540 /nfs/dbraw/zinc/79/85/40/1381798540.db2.gz DKMAPMLRTFUXCZ-UHFFFAOYSA-N 2 1 348.494 3.298 20 0 EGADMP c1ccc(C[N@@H+]2CC=C(Nc3cccc(N4CC[NH2+]CC4)c3)CC2)cc1 ZINC001159855843 1381921205 /nfs/dbraw/zinc/92/12/05/1381921205.db2.gz JVPZRUBWTVVDPB-UHFFFAOYSA-N 2 1 348.494 3.298 20 0 EGADMP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cc(N)[nH+]cn3)[C@@H](C)C2)CC[C@H]1[NH3+] ZINC001159887647 1381928712 /nfs/dbraw/zinc/92/87/12/1381928712.db2.gz UDCMLUFMEWAVQQ-GGGWTEGZSA-N 2 1 331.508 3.429 20 0 EGADMP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cc(N)nc[nH+]3)[C@@H](C)C2)CC[C@H]1[NH3+] ZINC001159887647 1381928717 /nfs/dbraw/zinc/92/87/17/1381928717.db2.gz UDCMLUFMEWAVQQ-GGGWTEGZSA-N 2 1 331.508 3.429 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001159907578 1381934372 /nfs/dbraw/zinc/93/43/72/1381934372.db2.gz AMNPPNWXRSMTSR-IBGZPJMESA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001159911531 1381934929 /nfs/dbraw/zinc/93/49/29/1381934929.db2.gz ZVDAOOSVQHYZLD-UYAOXDASSA-N 2 1 343.515 3.033 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001159981608 1381957601 /nfs/dbraw/zinc/95/76/01/1381957601.db2.gz LNQWRZWZFAYUSK-OAHLLOKOSA-N 2 1 325.460 3.127 20 0 EGADMP CC(C)[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001328469007 1388756621 /nfs/dbraw/zinc/75/66/21/1388756621.db2.gz NUORMDUCHJLXBV-LJQANCHMSA-N 2 1 345.531 3.088 20 0 EGADMP CC(C)[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001328469007 1388756622 /nfs/dbraw/zinc/75/66/22/1388756622.db2.gz NUORMDUCHJLXBV-LJQANCHMSA-N 2 1 345.531 3.088 20 0 EGADMP CC(C)[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001328469007 1388756625 /nfs/dbraw/zinc/75/66/25/1388756625.db2.gz NUORMDUCHJLXBV-LJQANCHMSA-N 2 1 345.531 3.088 20 0 EGADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001160194103 1382030313 /nfs/dbraw/zinc/03/03/13/1382030313.db2.gz RSOAASDASAAHJV-PBHICJAKSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001160194103 1382030318 /nfs/dbraw/zinc/03/03/18/1382030318.db2.gz RSOAASDASAAHJV-PBHICJAKSA-N 2 1 339.911 3.179 20 0 EGADMP FC(F)(F)c1c[nH+]ccc1Nc1cccc(O[C@H]2CCC[NH2+]C2)c1 ZINC001160216532 1382036529 /nfs/dbraw/zinc/03/65/29/1382036529.db2.gz CNQPGOIWBZUSKQ-AWEZNQCLSA-N 2 1 337.345 3.397 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353327 1382080928 /nfs/dbraw/zinc/08/09/28/1382080928.db2.gz RWUZBSURZNQGLH-HXUWFJFHSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160353327 1382080931 /nfs/dbraw/zinc/08/09/31/1382080931.db2.gz RWUZBSURZNQGLH-HXUWFJFHSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001160353327 1382080936 /nfs/dbraw/zinc/08/09/36/1382080936.db2.gz RWUZBSURZNQGLH-HXUWFJFHSA-N 2 1 349.563 3.149 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC001290312409 1382081012 /nfs/dbraw/zinc/08/10/12/1382081012.db2.gz KHEVDAFRCZULFH-IRXDYDNUSA-N 2 1 349.544 3.123 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC1=CC[NH+](CCC2CC2)CC1 ZINC001160360663 1382082363 /nfs/dbraw/zinc/08/23/63/1382082363.db2.gz UJJTXCJMUGMRLC-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NCCC1=CC[N@H+](CCC2CC2)CC1 ZINC001160360663 1382082367 /nfs/dbraw/zinc/08/23/67/1382082367.db2.gz UJJTXCJMUGMRLC-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001160360663 1382082373 /nfs/dbraw/zinc/08/23/73/1382082373.db2.gz UJJTXCJMUGMRLC-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+](C)C1(C(=O)NCCC2=CC[N@@H+](CCCC3CCC3)CC2)CCC1 ZINC001160360083 1382082408 /nfs/dbraw/zinc/08/24/08/1382082408.db2.gz IKDMDTOTBSGHAK-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP c1ccc(C[N@H+]2CCC=C(Nc3cccc4c3[C@H]3C[NH2+]C[C@@H]3O4)C2)cc1 ZINC001160394263 1382092501 /nfs/dbraw/zinc/09/25/01/1382092501.db2.gz GTBZYJMNJAKCNF-RXVVDRJESA-N 2 1 347.462 3.336 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160804407 1382201825 /nfs/dbraw/zinc/20/18/25/1382201825.db2.gz KETLXWNVGNIPHC-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160855954 1382217472 /nfs/dbraw/zinc/21/74/72/1382217472.db2.gz DRPKNEUDNPDJPS-QGZVFWFLSA-N 2 1 335.536 3.045 20 0 EGADMP O=C(NCCC[NH2+]CCCC1CCCC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001160870506 1382219814 /nfs/dbraw/zinc/21/98/14/1382219814.db2.gz YJBZSOKXZUNVPK-OALUTQOASA-N 2 1 335.536 3.070 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160868256 1382220110 /nfs/dbraw/zinc/22/01/10/1382220110.db2.gz LEXCJIOOTOXPBT-UXHICEINSA-N 2 1 349.563 3.460 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001161042377 1382280738 /nfs/dbraw/zinc/28/07/38/1382280738.db2.gz PLZMQHCZXJGVKI-IBGZPJMESA-N 2 1 345.531 3.064 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+]2CC=C(CCNC(=O)CC[NH+](C)C)CC2)c1 ZINC001161107126 1382299507 /nfs/dbraw/zinc/29/95/07/1382299507.db2.gz ZNCFOVIANHISBA-SFHVURJKSA-N 2 1 343.515 3.146 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001161205852 1382340783 /nfs/dbraw/zinc/34/07/83/1382340783.db2.gz HGXLGPVILWSLKK-SFHVURJKSA-N 2 1 349.563 3.435 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001161205852 1382340784 /nfs/dbraw/zinc/34/07/84/1382340784.db2.gz HGXLGPVILWSLKK-SFHVURJKSA-N 2 1 349.563 3.435 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001161205852 1382340788 /nfs/dbraw/zinc/34/07/88/1382340788.db2.gz HGXLGPVILWSLKK-SFHVURJKSA-N 2 1 349.563 3.435 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161205694 1382340926 /nfs/dbraw/zinc/34/09/26/1382340926.db2.gz FTGAYEHDMWBLGQ-KQPGTDLCSA-N 2 1 347.547 3.069 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001161205694 1382340930 /nfs/dbraw/zinc/34/09/30/1382340930.db2.gz FTGAYEHDMWBLGQ-KQPGTDLCSA-N 2 1 347.547 3.069 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001161205694 1382340932 /nfs/dbraw/zinc/34/09/32/1382340932.db2.gz FTGAYEHDMWBLGQ-KQPGTDLCSA-N 2 1 347.547 3.069 20 0 EGADMP COCCC1(CNc2cc(OC)c3ccccc3[nH+]2)CC[NH2+]CC1 ZINC001161503253 1382424782 /nfs/dbraw/zinc/42/47/82/1382424782.db2.gz YAYJCTFJSOWECI-UHFFFAOYSA-N 2 1 329.444 3.062 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CC3CCC3)CC2)CC1 ZINC001161622780 1382462945 /nfs/dbraw/zinc/46/29/45/1382462945.db2.gz SHAZPUNUJWIGKH-UHFFFAOYSA-N 2 1 347.547 3.045 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001161646031 1382469231 /nfs/dbraw/zinc/46/92/31/1382469231.db2.gz YDXIUFFHRKDUPO-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC001161646031 1382469233 /nfs/dbraw/zinc/46/92/33/1382469233.db2.gz YDXIUFFHRKDUPO-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC001161646031 1382469235 /nfs/dbraw/zinc/46/92/35/1382469235.db2.gz YDXIUFFHRKDUPO-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161704752 1382485329 /nfs/dbraw/zinc/48/53/29/1382485329.db2.gz HUSGPJOPILHQAL-IBGZPJMESA-N 2 1 335.536 3.047 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161704752 1382485334 /nfs/dbraw/zinc/48/53/34/1382485334.db2.gz HUSGPJOPILHQAL-IBGZPJMESA-N 2 1 335.536 3.047 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161704752 1382485336 /nfs/dbraw/zinc/48/53/36/1382485336.db2.gz HUSGPJOPILHQAL-IBGZPJMESA-N 2 1 335.536 3.047 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCCC2=CC[NH+](CCCC3CCC3)CC2)C1 ZINC001161705807 1382485796 /nfs/dbraw/zinc/48/57/96/1382485796.db2.gz YGEZOMLZPSNUBT-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NCCC2=CC[N@H+](CCCC3CCC3)CC2)C1 ZINC001161705807 1382485798 /nfs/dbraw/zinc/48/57/98/1382485798.db2.gz YGEZOMLZPSNUBT-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NCCC2=CC[N@@H+](CCCC3CCC3)CC2)C1 ZINC001161705807 1382485799 /nfs/dbraw/zinc/48/57/99/1382485799.db2.gz YGEZOMLZPSNUBT-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP Cc1ccc(C[NH+]2CCCCC2)cc1NCCCN1CC[NH+](C)CC1 ZINC001161711918 1382487616 /nfs/dbraw/zinc/48/76/16/1382487616.db2.gz SQXBLAAYPUFGEH-UHFFFAOYSA-N 2 1 344.547 3.030 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161924882 1382555032 /nfs/dbraw/zinc/55/50/32/1382555032.db2.gz OGBZIXAGQGYQPF-QZTJIDSGSA-N 2 1 335.536 3.044 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001161938163 1382561405 /nfs/dbraw/zinc/56/14/05/1382561405.db2.gz JUXQQFAWZUBYDJ-UHFFFAOYSA-N 2 1 343.515 3.300 20 0 EGADMP CCCC[N@H+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161946887 1382565456 /nfs/dbraw/zinc/56/54/56/1382565456.db2.gz KKJFRBAOZIWSDN-HXUWFJFHSA-N 2 1 343.515 3.228 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161946887 1382565463 /nfs/dbraw/zinc/56/54/63/1382565463.db2.gz KKJFRBAOZIWSDN-HXUWFJFHSA-N 2 1 343.515 3.228 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161993661 1382592299 /nfs/dbraw/zinc/59/22/99/1382592299.db2.gz HETFGCKSEYVZNQ-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP Cc1oncc1CNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001162270185 1382718374 /nfs/dbraw/zinc/71/83/74/1382718374.db2.gz ZOJKGBVDLVRCSN-INIZCTEOSA-N 2 1 325.416 3.259 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(N2C[C@@H]([NH3+])Cc3ccccc32)nc1 ZINC001162844841 1382892710 /nfs/dbraw/zinc/89/27/10/1382892710.db2.gz OLUGZQHRQFANPP-LPHOPBHVSA-N 2 1 336.483 3.478 20 0 EGADMP Clc1ccc(C[NH+]2CCCC2)c(NC2CC3(C2)CCC[NH2+]C3)n1 ZINC001162981912 1382936555 /nfs/dbraw/zinc/93/65/55/1382936555.db2.gz ITMBLNSDNIYNEU-UHFFFAOYSA-N 2 1 334.895 3.275 20 0 EGADMP Cc1[nH+]c2ccc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)cc2n1C(C)C ZINC001163325926 1383023131 /nfs/dbraw/zinc/02/31/31/1383023131.db2.gz CXAPRJSWBPRKCS-QFBILLFUSA-N 2 1 328.460 3.249 20 0 EGADMP Cc1[nH+]c2ccc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)cc2n1C(C)C ZINC001163325927 1383023223 /nfs/dbraw/zinc/02/32/23/1383023223.db2.gz CXAPRJSWBPRKCS-VQIMIIECSA-N 2 1 328.460 3.249 20 0 EGADMP Cc1cc(N[C@@H](C)C[NH+](C)C)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001163770813 1383120286 /nfs/dbraw/zinc/12/02/86/1383120286.db2.gz SCEQEFDOWUFKDD-KRWDZBQOSA-N 2 1 338.499 3.310 20 0 EGADMP C[NH+](C)C1(CNc2ccc(O[C@H]3CCCCO3)cc2)CC[NH+](C)CC1 ZINC001164213540 1383166642 /nfs/dbraw/zinc/16/66/42/1383166642.db2.gz VRLOVEIFNJKZDQ-IBGZPJMESA-N 2 1 347.503 3.030 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001164455497 1383188492 /nfs/dbraw/zinc/18/84/92/1383188492.db2.gz CLBFGWCAKLQMSY-AEFFLSMTSA-N 2 1 349.494 3.105 20 0 EGADMP CC/C=C/CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164491239 1383192829 /nfs/dbraw/zinc/19/28/29/1383192829.db2.gz CSDDSWJFDRROIL-GNAXCBTBSA-N 2 1 335.536 3.236 20 0 EGADMP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164514276 1383195274 /nfs/dbraw/zinc/19/52/74/1383195274.db2.gz NZULCAOQBRVZNL-OVKVCFKUSA-N 2 1 349.563 3.482 20 0 EGADMP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531365 1383196977 /nfs/dbraw/zinc/19/69/77/1383196977.db2.gz FVAIDJXGDMNDGY-ROUUACIJSA-N 2 1 349.563 3.173 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)C[C@H]32)cc1 ZINC001165082910 1383224451 /nfs/dbraw/zinc/22/44/51/1383224451.db2.gz FFKFLYCWYNFIET-TZIWHRDSSA-N 2 1 348.494 3.393 20 0 EGADMP c1[nH+]c2cc(NC[C@H]3CCCCO3)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001165229946 1383253961 /nfs/dbraw/zinc/25/39/61/1383253961.db2.gz PRSXLGYZHLXGDS-DLBZAZTESA-N 2 1 328.460 3.332 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001165334100 1383275839 /nfs/dbraw/zinc/27/58/39/1383275839.db2.gz VAXJVTFCVUDJTI-QWNKOJSDSA-N 2 1 335.536 3.093 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1 ZINC001165472040 1383300151 /nfs/dbraw/zinc/30/01/51/1383300151.db2.gz FANFNLBYVUSCNN-ACBHZAAOSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001165728770 1383334449 /nfs/dbraw/zinc/33/44/49/1383334449.db2.gz UCTRWNJGJCJQHH-OALUTQOASA-N 2 1 349.563 3.316 20 0 EGADMP CC1CCC(C[NH2+]CC2(CCNC(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001165764125 1383341918 /nfs/dbraw/zinc/34/19/18/1383341918.db2.gz MPDPDWFAHFZKQR-ACBHZAAOSA-N 2 1 349.563 3.173 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+]CCCC(C)C)CC1 ZINC001165809490 1383348527 /nfs/dbraw/zinc/34/85/27/1383348527.db2.gz HDCDSCVXSDZKNA-UHFFFAOYSA-N 2 1 325.541 3.029 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001166743980 1383469893 /nfs/dbraw/zinc/46/98/93/1383469893.db2.gz BOCMTLIZTQHRLX-UHFFFAOYSA-N 2 1 347.547 3.384 20 0 EGADMP C[N@@H+](CC(=O)NCCC1(C[NH2+]Cc2ccccc2)CC1)CC(C)(C)C ZINC001167240270 1383573170 /nfs/dbraw/zinc/57/31/70/1383573170.db2.gz HJDAWMYAJGMBKL-UHFFFAOYSA-N 2 1 345.531 3.041 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001167377094 1383615335 /nfs/dbraw/zinc/61/53/35/1383615335.db2.gz KSCCDIBQQZQXIR-UHFFFAOYSA-N 2 1 348.535 3.463 20 0 EGADMP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385544 1383619287 /nfs/dbraw/zinc/61/92/87/1383619287.db2.gz IJZQQQUXMPWJEO-QZTJIDSGSA-N 2 1 337.552 3.172 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001167426073 1383631302 /nfs/dbraw/zinc/63/13/02/1383631302.db2.gz PBTQXQLRPZLFAI-MRXNPFEDSA-N 2 1 334.508 3.045 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001167458662 1383638273 /nfs/dbraw/zinc/63/82/73/1383638273.db2.gz JHOMBNXOEDIULS-UHFFFAOYSA-N 2 1 348.535 3.284 20 0 EGADMP Cc1cc(C[NH2+]CCCNC(=O)CCn2cc[nH+]c2C(C)C)cs1 ZINC001167581308 1383678243 /nfs/dbraw/zinc/67/82/43/1383678243.db2.gz XKKUTISMCRALSR-UHFFFAOYSA-N 2 1 348.516 3.063 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2cc(C)ccc2C)CC1 ZINC001167635345 1383694181 /nfs/dbraw/zinc/69/41/81/1383694181.db2.gz JEGJNCBPFHVYOT-UHFFFAOYSA-N 2 1 345.531 3.021 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001167639770 1383695816 /nfs/dbraw/zinc/69/58/16/1383695816.db2.gz FWKQPUWAHKRJNO-UHFFFAOYSA-N 2 1 337.552 3.175 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2ccc(C)cc2C)CC1 ZINC001167641272 1383696492 /nfs/dbraw/zinc/69/64/92/1383696492.db2.gz XBSMIYINGWBMNE-UHFFFAOYSA-N 2 1 345.531 3.021 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCCC2(C[NH2+]CCC3CCCCC3)CC2)C1 ZINC001167737223 1383726168 /nfs/dbraw/zinc/72/61/68/1383726168.db2.gz OVRZOYNMILGWEL-LJQANCHMSA-N 2 1 349.563 3.175 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001167815727 1383747064 /nfs/dbraw/zinc/74/70/64/1383747064.db2.gz ZCNFONLMHHCLSO-UHFFFAOYSA-N 2 1 337.552 3.175 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)C(C)C)C1 ZINC001167825380 1383750419 /nfs/dbraw/zinc/75/04/19/1383750419.db2.gz JZASJEVNVTXCBH-GBESFXJTSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(CCCN2C(=O)C(C)C)C1 ZINC001167827061 1383750796 /nfs/dbraw/zinc/75/07/96/1383750796.db2.gz RZNHCTMTTPCBBZ-AZUAARDMSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC001167841105 1383756770 /nfs/dbraw/zinc/75/67/70/1383756770.db2.gz KEAJDSQNABYEHZ-LPHOPBHVSA-N 2 1 332.488 3.269 20 0 EGADMP C[C@H]1C[C@H](C)C[NH+](CCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167962177 1383780056 /nfs/dbraw/zinc/78/00/56/1383780056.db2.gz VEJYTGNYTNNSNZ-IMKFEJLOSA-N 2 1 333.564 3.349 20 0 EGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167962177 1383780059 /nfs/dbraw/zinc/78/00/59/1383780059.db2.gz VEJYTGNYTNNSNZ-IMKFEJLOSA-N 3 1 333.564 3.349 20 0 EGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167962177 1383780061 /nfs/dbraw/zinc/78/00/61/1383780061.db2.gz VEJYTGNYTNNSNZ-IMKFEJLOSA-N 3 1 333.564 3.349 20 0 EGADMP c1nc(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)cc2)no1 ZINC001167963776 1383780937 /nfs/dbraw/zinc/78/09/37/1383780937.db2.gz DFJNGGOFJQUIAF-YQQQUEKLSA-N 2 1 338.455 3.232 20 0 EGADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc(Cl)c1 ZINC001167969863 1383782331 /nfs/dbraw/zinc/78/23/31/1383782331.db2.gz GYGDUWDZWBUPTD-XVLXNVKGSA-N 2 1 334.891 3.368 20 0 EGADMP COCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)Cc2ccccc2C1 ZINC001167981988 1383786358 /nfs/dbraw/zinc/78/63/58/1383786358.db2.gz RUFXHAIXPMQDRD-SEJPIABJSA-N 2 1 340.511 3.165 20 0 EGADMP CC(C)(C)OC(=O)C[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168001945 1383793218 /nfs/dbraw/zinc/79/32/18/1383793218.db2.gz AKVISWRRJBEXKO-KAKFPZCNSA-N 2 1 348.531 3.446 20 0 EGADMP CC(C)(C)OC(=O)C[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168001945 1383793223 /nfs/dbraw/zinc/79/32/23/1383793223.db2.gz AKVISWRRJBEXKO-KAKFPZCNSA-N 2 1 348.531 3.446 20 0 EGADMP CC(C)(C)OC(=O)C[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168001945 1383793226 /nfs/dbraw/zinc/79/32/26/1383793226.db2.gz AKVISWRRJBEXKO-KAKFPZCNSA-N 2 1 348.531 3.446 20 0 EGADMP COC(=O)C1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC001168009901 1383795588 /nfs/dbraw/zinc/79/55/88/1383795588.db2.gz IKXMDDWBMDTLKZ-IZZQQSIFSA-N 2 1 344.499 3.361 20 0 EGADMP Cc1c(CC[NH3+])c(=O)[nH]n1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168018798 1383798331 /nfs/dbraw/zinc/79/83/31/1383798331.db2.gz DSKVFJLTKZAHRZ-JLVBRIDZSA-N 2 1 342.487 3.012 20 0 EGADMP CNC(=O)[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)C ZINC001168027906 1383800020 /nfs/dbraw/zinc/80/00/20/1383800020.db2.gz NICQKENNHDWJMB-UKBAYJJMSA-N 2 1 345.531 3.178 20 0 EGADMP CNC(=O)[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)C ZINC001168027906 1383800025 /nfs/dbraw/zinc/80/00/25/1383800025.db2.gz NICQKENNHDWJMB-UKBAYJJMSA-N 2 1 345.531 3.178 20 0 EGADMP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001168029141 1383800439 /nfs/dbraw/zinc/80/04/39/1383800439.db2.gz CRUOMZQDMSHCAW-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](F)[C@@H](O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039537 1383801894 /nfs/dbraw/zinc/80/18/94/1383801894.db2.gz GIEUYSONRSOPOG-LHDHZVESSA-N 2 1 334.479 3.223 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](F)[C@@H](O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039537 1383801898 /nfs/dbraw/zinc/80/18/98/1383801898.db2.gz GIEUYSONRSOPOG-LHDHZVESSA-N 2 1 334.479 3.223 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](F)[C@@H](O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039537 1383801904 /nfs/dbraw/zinc/80/19/04/1383801904.db2.gz GIEUYSONRSOPOG-LHDHZVESSA-N 2 1 334.479 3.223 20 0 EGADMP C[C@@H]1CC([N@H+]2CCC3(CN(C)C3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056269 1383805486 /nfs/dbraw/zinc/80/54/86/1383805486.db2.gz FBEHEKFKKUXVSP-QZTJIDSGSA-N 2 1 327.516 3.066 20 0 EGADMP C[C@@H]1CC(N2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059488 1383806523 /nfs/dbraw/zinc/80/65/23/1383806523.db2.gz FYDFOFKOMPEJGJ-QZTJIDSGSA-N 2 1 329.532 3.454 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)CCO1 ZINC001168118135 1383820968 /nfs/dbraw/zinc/82/09/68/1383820968.db2.gz OOIGERQIXRBEON-IEBWSBKVSA-N 2 1 343.515 3.326 20 0 EGADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC001168211187 1383843900 /nfs/dbraw/zinc/84/39/00/1383843900.db2.gz ADESGQGVGIHGSB-ADKAHSJRSA-N 2 1 336.520 3.305 20 0 EGADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC001168211187 1383843903 /nfs/dbraw/zinc/84/39/03/1383843903.db2.gz ADESGQGVGIHGSB-ADKAHSJRSA-N 2 1 336.520 3.305 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C4CCC([NH+](C)C)CC4)C[C@@H]3C2)cc1 ZINC001168319278 1383871635 /nfs/dbraw/zinc/87/16/35/1383871635.db2.gz QKIWTZFYVOERQL-FDRBHKFBSA-N 3 1 341.543 3.231 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](C4CCC([NH+](C)C)CC4)C[C@@H]3C2)cc1 ZINC001168319278 1383871637 /nfs/dbraw/zinc/87/16/37/1383871637.db2.gz QKIWTZFYVOERQL-FDRBHKFBSA-N 3 1 341.543 3.231 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](C4CCC([NH+](C)C)CC4)C[C@@H]3C2)cc1 ZINC001168319278 1383871643 /nfs/dbraw/zinc/87/16/43/1383871643.db2.gz QKIWTZFYVOERQL-FDRBHKFBSA-N 3 1 341.543 3.231 20 0 EGADMP Cc1ccc(CN2C[C@@H]3C[N@H+](C4CCC([NH+](C)C)CC4)C[C@@H]3C2)cc1 ZINC001168319278 1383871645 /nfs/dbraw/zinc/87/16/45/1383871645.db2.gz QKIWTZFYVOERQL-FDRBHKFBSA-N 2 1 341.543 3.231 20 0 EGADMP Cc1ccc(CN2C[C@@H]3C[N@@H+](C4CCC([NH+](C)C)CC4)C[C@@H]3C2)cc1 ZINC001168319278 1383871649 /nfs/dbraw/zinc/87/16/49/1383871649.db2.gz QKIWTZFYVOERQL-FDRBHKFBSA-N 2 1 341.543 3.231 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001168328931 1383873932 /nfs/dbraw/zinc/87/39/32/1383873932.db2.gz MMKFRTCXDUYBRR-GEOZSUPMSA-N 3 1 341.543 3.313 20 0 EGADMP C[NH+](C)C1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001168328931 1383873934 /nfs/dbraw/zinc/87/39/34/1383873934.db2.gz MMKFRTCXDUYBRR-GEOZSUPMSA-N 3 1 341.543 3.313 20 0 EGADMP C[NH+](C)C1CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001168328931 1383873939 /nfs/dbraw/zinc/87/39/39/1383873939.db2.gz MMKFRTCXDUYBRR-GEOZSUPMSA-N 3 1 341.543 3.313 20 0 EGADMP C[NH+](C)C1CCC(N2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001168328931 1383873943 /nfs/dbraw/zinc/87/39/43/1383873943.db2.gz MMKFRTCXDUYBRR-GEOZSUPMSA-N 2 1 341.543 3.313 20 0 EGADMP C[NH+](C)C1CCC(N2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001168328931 1383873947 /nfs/dbraw/zinc/87/39/47/1383873947.db2.gz MMKFRTCXDUYBRR-GEOZSUPMSA-N 2 1 341.543 3.313 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CC2(CCNC(=O)C[N@H+](C)C(C)C)CC2)c1 ZINC001168344369 1383878993 /nfs/dbraw/zinc/87/89/93/1383878993.db2.gz AKEAXMYZMLXPHS-GOSISDBHSA-N 2 1 345.531 3.272 20 0 EGADMP CC(C)=CC[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168344917 1383879551 /nfs/dbraw/zinc/87/95/51/1383879551.db2.gz DVWBRXKDQSFZRS-LJQANCHMSA-N 2 1 343.515 3.132 20 0 EGADMP Cc1ncc(Br)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168363072 1383883328 /nfs/dbraw/zinc/88/33/28/1383883328.db2.gz SCCIUUFMQZGYPV-UHFFFAOYSA-N 2 1 338.293 3.117 20 0 EGADMP COc1ccccc1O[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168392811 1383893184 /nfs/dbraw/zinc/89/31/84/1383893184.db2.gz UQLOLKGTOVANJN-LJQANCHMSA-N 2 1 344.499 3.413 20 0 EGADMP COc1ccccc1O[C@@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168392811 1383893190 /nfs/dbraw/zinc/89/31/90/1383893190.db2.gz UQLOLKGTOVANJN-LJQANCHMSA-N 2 1 344.499 3.413 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168398404 1383895682 /nfs/dbraw/zinc/89/56/82/1383895682.db2.gz RQPWFAXQDODNJN-KRWDZBQOSA-N 2 1 345.506 3.379 20 0 EGADMP C[C@@H](Cc1cccc(F)c1)[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001168486702 1383920758 /nfs/dbraw/zinc/92/07/58/1383920758.db2.gz MZVKTTQRLNIPAW-YTQUADARSA-N 2 1 339.458 3.216 20 0 EGADMP COc1ccc([C@@H]2C[C@H]([NH+]3CCC([N@@H+](C)C4CC4)CC3)CCO2)cc1 ZINC001168665367 1383964161 /nfs/dbraw/zinc/96/41/61/1383964161.db2.gz PNWHMLPUTPFJRE-CTNGQTDRSA-N 2 1 344.499 3.474 20 0 EGADMP [NH3+]C1(c2cccnc2)CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168704163 1383975037 /nfs/dbraw/zinc/97/50/37/1383975037.db2.gz FIUWOWRBLUJDRP-INIZCTEOSA-N 2 1 327.859 3.152 20 0 EGADMP [NH3+]C1(Cc2cccnc2)CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168715096 1383978587 /nfs/dbraw/zinc/97/85/87/1383978587.db2.gz MSRCYYNTZMMOKK-QGZVFWFLSA-N 2 1 341.886 3.238 20 0 EGADMP CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001307726198 1384019716 /nfs/dbraw/zinc/01/97/16/1384019716.db2.gz WEGRZPBZCHLJAM-OAQYLSRUSA-N 2 1 346.515 3.300 20 0 EGADMP CCC[C@]1(COC)CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001307726198 1384019721 /nfs/dbraw/zinc/01/97/21/1384019721.db2.gz WEGRZPBZCHLJAM-OAQYLSRUSA-N 2 1 346.515 3.300 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCCCCNC(=O)OC(C)(C)C)C2 ZINC001169093588 1384105596 /nfs/dbraw/zinc/10/55/96/1384105596.db2.gz ITHSYYSDYFMHLA-OSYLJGHBSA-N 2 1 339.524 3.286 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001169093512 1384105605 /nfs/dbraw/zinc/10/56/05/1384105605.db2.gz IGCUCRDVHKXZSS-CODRONKASA-N 2 1 339.527 3.397 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001169093512 1384105607 /nfs/dbraw/zinc/10/56/07/1384105607.db2.gz IGCUCRDVHKXZSS-CODRONKASA-N 2 1 339.527 3.397 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001169093512 1384105609 /nfs/dbraw/zinc/10/56/09/1384105609.db2.gz IGCUCRDVHKXZSS-CODRONKASA-N 2 1 339.527 3.397 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001169093560 1384105745 /nfs/dbraw/zinc/10/57/45/1384105745.db2.gz IMSIUPWZWJIXLJ-MXEMCNAFSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001169093560 1384105747 /nfs/dbraw/zinc/10/57/47/1384105747.db2.gz IMSIUPWZWJIXLJ-MXEMCNAFSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001169093560 1384105749 /nfs/dbraw/zinc/10/57/49/1384105749.db2.gz IMSIUPWZWJIXLJ-MXEMCNAFSA-N 2 1 327.516 3.113 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001169093560 1384105751 /nfs/dbraw/zinc/10/57/51/1384105751.db2.gz IMSIUPWZWJIXLJ-MXEMCNAFSA-N 3 1 327.516 3.113 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001169093560 1384105753 /nfs/dbraw/zinc/10/57/53/1384105753.db2.gz IMSIUPWZWJIXLJ-MXEMCNAFSA-N 3 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001169093560 1384105755 /nfs/dbraw/zinc/10/57/55/1384105755.db2.gz IMSIUPWZWJIXLJ-MXEMCNAFSA-N 3 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001169093560 1384105757 /nfs/dbraw/zinc/10/57/57/1384105757.db2.gz IMSIUPWZWJIXLJ-MXEMCNAFSA-N 3 1 327.516 3.113 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc(OCC(F)(F)F)cc1)C2 ZINC001169107434 1384107900 /nfs/dbraw/zinc/10/79/00/1384107900.db2.gz GQQNRGNQXZKEPV-MUJYYYPQSA-N 2 1 342.405 3.385 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCCC1)C2 ZINC001169109105 1384108033 /nfs/dbraw/zinc/10/80/33/1384108033.db2.gz YKXSIGLNPDXVEW-MUJYYYPQSA-N 2 1 337.508 3.039 20 0 EGADMP COc1ccc([C@H]2CSCC[N@@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169142453 1384113010 /nfs/dbraw/zinc/11/30/10/1384113010.db2.gz UWMDIKWLKBFAIF-SFNKJDCFSA-N 2 1 332.513 3.410 20 0 EGADMP COc1ccc([C@H]2CSCC[N@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169142453 1384113011 /nfs/dbraw/zinc/11/30/11/1384113011.db2.gz UWMDIKWLKBFAIF-SFNKJDCFSA-N 2 1 332.513 3.410 20 0 EGADMP COc1ccc([C@H]2CSCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169142453 1384113012 /nfs/dbraw/zinc/11/30/12/1384113012.db2.gz UWMDIKWLKBFAIF-SFNKJDCFSA-N 2 1 332.513 3.410 20 0 EGADMP COc1ccc([C@H]2CSCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169142453 1384113013 /nfs/dbraw/zinc/11/30/13/1384113013.db2.gz UWMDIKWLKBFAIF-SFNKJDCFSA-N 2 1 332.513 3.410 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1nc(C3CC[NH2+]CC3)c3ccc(F)cc31)C2 ZINC001169146106 1384114565 /nfs/dbraw/zinc/11/45/65/1384114565.db2.gz OMYOVDZUUFBAIV-FVQHAEBGSA-N 2 1 342.462 3.440 20 0 EGADMP COC(=[NH2+])c1cccc(-n2c(C)c(CC[NH3+])c3cc(OC)ccc32)c1 ZINC001169179290 1384119917 /nfs/dbraw/zinc/11/99/17/1384119917.db2.gz IJVUPTQZHJQNPA-UHFFFAOYSA-N 2 1 337.423 3.420 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(CCNC(=O)OC(C)(C)C)CC2)CC1 ZINC001169247073 1384127129 /nfs/dbraw/zinc/12/71/29/1384127129.db2.gz YJSNQLZVOBMOQM-UHFFFAOYSA-N 2 1 339.524 3.098 20 0 EGADMP O=c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c[nH]1 ZINC001308560160 1384134080 /nfs/dbraw/zinc/13/40/80/1384134080.db2.gz FRUNCAJEHKZTBU-NRFANRHFSA-N 2 1 337.467 3.275 20 0 EGADMP O=c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c[nH]1 ZINC001308560160 1384134082 /nfs/dbraw/zinc/13/40/82/1384134082.db2.gz FRUNCAJEHKZTBU-NRFANRHFSA-N 2 1 337.467 3.275 20 0 EGADMP O=c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c[nH]1 ZINC001308560160 1384134084 /nfs/dbraw/zinc/13/40/84/1384134084.db2.gz FRUNCAJEHKZTBU-NRFANRHFSA-N 2 1 337.467 3.275 20 0 EGADMP O=c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c[nH]1 ZINC001308560160 1384134086 /nfs/dbraw/zinc/13/40/86/1384134086.db2.gz FRUNCAJEHKZTBU-NRFANRHFSA-N 2 1 337.467 3.275 20 0 EGADMP C[C@@H](Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1)c1cnccn1 ZINC001169529901 1384156746 /nfs/dbraw/zinc/15/67/46/1384156746.db2.gz SAESLUOSFZDAAB-ZBFHGGJFSA-N 2 1 336.443 3.314 20 0 EGADMP CCOC(=O)N1CCC[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169669489 1384170961 /nfs/dbraw/zinc/17/09/61/1384170961.db2.gz PVYYODMMWOXVKG-KBAYOESNSA-N 2 1 337.508 3.122 20 0 EGADMP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001169699300 1384174996 /nfs/dbraw/zinc/17/49/96/1384174996.db2.gz WZEOIMNZZRPTFY-SFHVURJKSA-N 3 1 347.466 3.261 20 0 EGADMP CCc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001169798647 1384187351 /nfs/dbraw/zinc/18/73/51/1384187351.db2.gz PIZLMXLHTJRREN-YLJYHZDGSA-N 2 1 345.531 3.108 20 0 EGADMP CCc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001169809969 1384187584 /nfs/dbraw/zinc/18/75/84/1384187584.db2.gz MUXFAIVISQWAGA-YLJYHZDGSA-N 2 1 345.531 3.108 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169811109 1384187983 /nfs/dbraw/zinc/18/79/83/1384187983.db2.gz TYPWEJJCEHBWQA-DLBZAZTESA-N 2 1 325.541 3.172 20 0 EGADMP C[C@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)C1 ZINC001170110603 1384237382 /nfs/dbraw/zinc/23/73/82/1384237382.db2.gz ZGRMNXPXTRRBOD-JKSUJKDBSA-N 2 1 327.513 3.001 20 0 EGADMP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(OC)cc3)CC2)CCO1 ZINC001170182625 1384257151 /nfs/dbraw/zinc/25/71/51/1384257151.db2.gz NTSLBUSPNWWKSS-VQTJNVASSA-N 2 1 346.515 3.249 20 0 EGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC001170239357 1384273787 /nfs/dbraw/zinc/27/37/87/1384273787.db2.gz MKGJCBVVEZXZJV-XRXFAXGQSA-N 2 1 328.500 3.398 20 0 EGADMP CC[C@@H]1C[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC001170239357 1384273789 /nfs/dbraw/zinc/27/37/89/1384273789.db2.gz MKGJCBVVEZXZJV-XRXFAXGQSA-N 2 1 328.500 3.398 20 0 EGADMP CC[C@@H]1C[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC001170239357 1384273791 /nfs/dbraw/zinc/27/37/91/1384273791.db2.gz MKGJCBVVEZXZJV-XRXFAXGQSA-N 2 1 328.500 3.398 20 0 EGADMP Cc1cc(C)c2[nH+]c(NC[C@H]3O[C@@H](C(C)C)O[C@@H]3C[NH3+])cc(C)c2c1 ZINC001170276716 1384280512 /nfs/dbraw/zinc/28/05/12/1384280512.db2.gz FWHJBGJYMQYFMJ-HLIPFELVSA-N 2 1 343.471 3.297 20 0 EGADMP CCCC[N@@H+](C)CCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC001311927790 1384314577 /nfs/dbraw/zinc/31/45/77/1384314577.db2.gz BKGSXPKNLPMIGF-UHFFFAOYSA-N 2 1 340.556 3.062 20 0 EGADMP CC[C@H]1CC([NH2+]C2(C[NH3+])CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170478604 1384327388 /nfs/dbraw/zinc/32/73/88/1384327388.db2.gz NPJBWGHYIDUWQL-GJZGRUSLSA-N 2 1 325.497 3.024 20 0 EGADMP CCCCCC[C@H](CC)[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001170593487 1384346546 /nfs/dbraw/zinc/34/65/46/1384346546.db2.gz RUYZDHUUMLOCCN-SFHVURJKSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCCC[C@H](CC)[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001170593487 1384346549 /nfs/dbraw/zinc/34/65/49/1384346549.db2.gz RUYZDHUUMLOCCN-SFHVURJKSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCC(C)(C)C ZINC001170783904 1384384757 /nfs/dbraw/zinc/38/47/57/1384384757.db2.gz ATOQFOOUPUHUQU-QGZVFWFLSA-N 2 1 325.541 3.173 20 0 EGADMP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH2+][C@H]1CCCOCC1 ZINC001170792810 1384386594 /nfs/dbraw/zinc/38/65/94/1384386594.db2.gz SPHPHNVWGQPOBQ-VMHNJKNPSA-N 2 1 334.463 3.132 20 0 EGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+]([C@H]1CCCOCC1)CC2 ZINC001170821988 1384392361 /nfs/dbraw/zinc/39/23/61/1384392361.db2.gz QPCKGHIOTCXEQI-IBGZPJMESA-N 2 1 343.515 3.327 20 0 EGADMP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001170863989 1384400796 /nfs/dbraw/zinc/40/07/96/1384400796.db2.gz ZLMASDXBMNCTFA-NLWGTHIKSA-N 2 1 345.531 3.100 20 0 EGADMP CCC(CC)C[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001170868183 1384401557 /nfs/dbraw/zinc/40/15/57/1384401557.db2.gz QJZMLWYGQFINLM-LJQANCHMSA-N 2 1 333.520 3.212 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001316611205 1384481303 /nfs/dbraw/zinc/48/13/03/1384481303.db2.gz OHKMZZFADSISAA-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171505858 1384545080 /nfs/dbraw/zinc/54/50/80/1384545080.db2.gz NHBMSJATEKUDJC-GXTWGEPZSA-N 2 1 326.406 3.283 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001171586010 1384572240 /nfs/dbraw/zinc/57/22/40/1384572240.db2.gz HCGIBPCENNCUBO-KRWDZBQOSA-N 2 1 333.520 3.182 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]Cc1ccsc1 ZINC001171587168 1384572968 /nfs/dbraw/zinc/57/29/68/1384572968.db2.gz ZHONYVPPLWEEBK-OAHLLOKOSA-N 2 1 339.549 3.243 20 0 EGADMP C[C@H]1C[C@@H](N[C@H]2CC[NH+](CC3CCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC001171738542 1384620836 /nfs/dbraw/zinc/62/08/36/1384620836.db2.gz KIMREQZGMXYLMT-DZFGPLHGSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H]1C[C@@H](N[C@H]2CC[NH+](CC3CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171738542 1384620838 /nfs/dbraw/zinc/62/08/38/1384620838.db2.gz KIMREQZGMXYLMT-DZFGPLHGSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H]1C[C@@H](N[C@H]2CC[N@H+](CC3CCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171738542 1384620845 /nfs/dbraw/zinc/62/08/45/1384620845.db2.gz KIMREQZGMXYLMT-DZFGPLHGSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H]1C[C@@H](N[C@H]2CC[N@@H+](CC3CCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171738542 1384620849 /nfs/dbraw/zinc/62/08/49/1384620849.db2.gz KIMREQZGMXYLMT-DZFGPLHGSA-N 2 1 327.516 3.113 20 0 EGADMP CC(C)N([C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001171766740 1384630444 /nfs/dbraw/zinc/63/04/44/1384630444.db2.gz HCBIOLSCOWQVEH-WIYYLYMNSA-N 2 1 329.532 3.454 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171870791 1384666520 /nfs/dbraw/zinc/66/65/20/1384666520.db2.gz UWZOLNIAPVTVTC-UYAOXDASSA-N 2 1 343.515 3.003 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001316883207 1384666937 /nfs/dbraw/zinc/66/69/37/1384666937.db2.gz WZOLHEYVHHFPIP-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171906833 1384677591 /nfs/dbraw/zinc/67/75/91/1384677591.db2.gz MLRJAAVPWALRRA-HXUWFJFHSA-N 2 1 343.515 3.097 20 0 EGADMP CC(C)(C)NC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975034 1384701267 /nfs/dbraw/zinc/70/12/67/1384701267.db2.gz KIRZXYRYRSZVOR-SFHVURJKSA-N 2 1 345.531 3.324 20 0 EGADMP CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984344 1384704299 /nfs/dbraw/zinc/70/42/99/1384704299.db2.gz KIYFSHASPJRMAY-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984344 1384704303 /nfs/dbraw/zinc/70/43/03/1384704303.db2.gz KIYFSHASPJRMAY-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP CC(=O)N[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984344 1384704306 /nfs/dbraw/zinc/70/43/06/1384704306.db2.gz KIYFSHASPJRMAY-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP CC(=O)N[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984344 1384704309 /nfs/dbraw/zinc/70/43/09/1384704309.db2.gz KIYFSHASPJRMAY-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H](Cc1cnccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984687 1384704590 /nfs/dbraw/zinc/70/45/90/1384704590.db2.gz XOVSQJFKXYHPAP-HKUYNNGSSA-N 2 1 338.499 3.440 20 0 EGADMP COC(=O)CC[N@H+](C1CC1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987635 1384706760 /nfs/dbraw/zinc/70/67/60/1384706760.db2.gz YREQYBLRYAELFF-IBGZPJMESA-N 2 1 344.499 3.457 20 0 EGADMP COC(=O)CC[N@@H+](C1CC1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987635 1384706765 /nfs/dbraw/zinc/70/67/65/1384706765.db2.gz YREQYBLRYAELFF-IBGZPJMESA-N 2 1 344.499 3.457 20 0 EGADMP COC(=O)CC[NH+](C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987635 1384706766 /nfs/dbraw/zinc/70/67/66/1384706766.db2.gz YREQYBLRYAELFF-IBGZPJMESA-N 2 1 344.499 3.457 20 0 EGADMP COC(=O)CC[NH+](C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987635 1384706770 /nfs/dbraw/zinc/70/67/70/1384706770.db2.gz YREQYBLRYAELFF-IBGZPJMESA-N 2 1 344.499 3.457 20 0 EGADMP CN1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172061593 1384715023 /nfs/dbraw/zinc/71/50/23/1384715023.db2.gz HQBBWLOAWFJWQN-XSDIEEQYSA-N 2 1 327.516 3.256 20 0 EGADMP C[N@@H+]1CCC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061593 1384715027 /nfs/dbraw/zinc/71/50/27/1384715027.db2.gz HQBBWLOAWFJWQN-XSDIEEQYSA-N 2 1 327.516 3.256 20 0 EGADMP C[N@H+]1CCC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061593 1384715032 /nfs/dbraw/zinc/71/50/32/1384715032.db2.gz HQBBWLOAWFJWQN-XSDIEEQYSA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+]1CCC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172061593 1384715035 /nfs/dbraw/zinc/71/50/35/1384715035.db2.gz HQBBWLOAWFJWQN-XSDIEEQYSA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+]1CCC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172061593 1384715039 /nfs/dbraw/zinc/71/50/39/1384715039.db2.gz HQBBWLOAWFJWQN-XSDIEEQYSA-N 2 1 327.516 3.256 20 0 EGADMP O[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067196 1384717188 /nfs/dbraw/zinc/71/71/88/1384717188.db2.gz LGTDCWHWTRHQBX-SSSFQFABSA-N 2 1 328.500 3.465 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CC[NH+]4CCC[C@H]4C2)C3)cc1 ZINC001172071217 1384718328 /nfs/dbraw/zinc/71/83/28/1384718328.db2.gz DASOPOBSJHWIID-LRSLUSHPSA-N 2 1 339.527 3.352 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H](N2CC[N@@H+]4CCC[C@H]4C2)C3)cc1 ZINC001172071217 1384718330 /nfs/dbraw/zinc/71/83/30/1384718330.db2.gz DASOPOBSJHWIID-LRSLUSHPSA-N 2 1 339.527 3.352 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H](N2CC[N@H+]4CCC[C@H]4C2)C3)cc1 ZINC001172071217 1384718338 /nfs/dbraw/zinc/71/83/38/1384718338.db2.gz DASOPOBSJHWIID-LRSLUSHPSA-N 2 1 339.527 3.352 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(N3CCCCC3=O)cc1)C2 ZINC001172112108 1384729157 /nfs/dbraw/zinc/72/91/57/1384729157.db2.gz RPPHLJKAVOTTNR-FNLKRUPLSA-N 2 1 341.499 3.308 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cncn1Cc1ccccc1F)C2 ZINC001172113919 1384731335 /nfs/dbraw/zinc/73/13/35/1384731335.db2.gz KWMHQNKLJSXBKE-BCDXTJNWSA-N 2 1 342.462 3.175 20 0 EGADMP COc1cccc2c1C[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CS2 ZINC001172113194 1384731369 /nfs/dbraw/zinc/73/13/69/1384731369.db2.gz HJXWFPXQIYPRAW-JONQDZQNSA-N 2 1 332.513 3.317 20 0 EGADMP COc1cccc2c1C[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CS2 ZINC001172113194 1384731371 /nfs/dbraw/zinc/73/13/71/1384731371.db2.gz HJXWFPXQIYPRAW-JONQDZQNSA-N 2 1 332.513 3.317 20 0 EGADMP CC(C)[C@@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)NC(=O)OC(C)(C)C ZINC001172118488 1384732460 /nfs/dbraw/zinc/73/24/60/1384732460.db2.gz QXHFSNFEUQTGNY-WCXIOVBPSA-N 2 1 339.524 3.141 20 0 EGADMP COC(=O)CC[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120494 1384732711 /nfs/dbraw/zinc/73/27/11/1384732711.db2.gz FVLHXWVUTYWBDS-BWTSREIZSA-N 2 1 330.472 3.067 20 0 EGADMP COC(=O)CC[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120494 1384732714 /nfs/dbraw/zinc/73/27/14/1384732714.db2.gz FVLHXWVUTYWBDS-BWTSREIZSA-N 2 1 330.472 3.067 20 0 EGADMP COC(=O)CC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120494 1384732718 /nfs/dbraw/zinc/73/27/18/1384732718.db2.gz FVLHXWVUTYWBDS-BWTSREIZSA-N 2 1 330.472 3.067 20 0 EGADMP COC(=O)CC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120494 1384732724 /nfs/dbraw/zinc/73/27/24/1384732724.db2.gz FVLHXWVUTYWBDS-BWTSREIZSA-N 2 1 330.472 3.067 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(COc3cccnc3)CC1)C2 ZINC001172121664 1384734498 /nfs/dbraw/zinc/73/44/98/1384734498.db2.gz SCPHEKOTGLILDZ-REPLKXPHSA-N 2 1 329.488 3.188 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(COc3cccnc3)CC1)C2 ZINC001172121664 1384734503 /nfs/dbraw/zinc/73/45/03/1384734503.db2.gz SCPHEKOTGLILDZ-REPLKXPHSA-N 2 1 329.488 3.188 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C1)C2 ZINC001172123925 1384734702 /nfs/dbraw/zinc/73/47/02/1384734702.db2.gz HQWJDOGIHCNNHL-VNXMGFANSA-N 2 1 339.527 3.208 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C1)C2 ZINC001172123925 1384734728 /nfs/dbraw/zinc/73/47/28/1384734728.db2.gz HQWJDOGIHCNNHL-VNXMGFANSA-N 2 1 339.527 3.208 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C1)C2 ZINC001172123925 1384734732 /nfs/dbraw/zinc/73/47/32/1384734732.db2.gz HQWJDOGIHCNNHL-VNXMGFANSA-N 2 1 339.527 3.208 20 0 EGADMP COc1cc2c(cc1OC)[C@@H](C[N@H+](C)[C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172127606 1384735724 /nfs/dbraw/zinc/73/57/24/1384735724.db2.gz JVBGLYDHRSTQDB-BDXSIMOUSA-N 2 1 344.499 3.291 20 0 EGADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)[C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172127606 1384735728 /nfs/dbraw/zinc/73/57/28/1384735728.db2.gz JVBGLYDHRSTQDB-BDXSIMOUSA-N 2 1 344.499 3.291 20 0 EGADMP COc1cc2c(cc1OC)[C@@H](C[NH+](C)[C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172127606 1384735729 /nfs/dbraw/zinc/73/57/29/1384735729.db2.gz JVBGLYDHRSTQDB-BDXSIMOUSA-N 2 1 344.499 3.291 20 0 EGADMP COc1cc2c(cc1OC)[C@@H](C[NH+](C)[C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172127606 1384735733 /nfs/dbraw/zinc/73/57/33/1384735733.db2.gz JVBGLYDHRSTQDB-BDXSIMOUSA-N 2 1 344.499 3.291 20 0 EGADMP COc1cc2c(cc1OC)C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172126255 1384736599 /nfs/dbraw/zinc/73/65/99/1384736599.db2.gz VMHHKUJIQYPHOT-BCDXTJNWSA-N 2 1 330.472 3.077 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001316996011 1384753224 /nfs/dbraw/zinc/75/32/24/1384753224.db2.gz UGDLFPQNNAVSFV-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](C1C[C@@H]3C=C[C@H](C1)O3)CC2 ZINC001172237434 1384753364 /nfs/dbraw/zinc/75/33/64/1384753364.db2.gz LTHKMUPCPKWDIW-DLZDZTESSA-N 2 1 342.483 3.442 20 0 EGADMP COCCC[NH+]1CCC([NH+]2CCC(c3ccc(OC)cc3)CC2)CC1 ZINC001172255470 1384757411 /nfs/dbraw/zinc/75/74/11/1384757411.db2.gz SDGRWGLYKORNEZ-UHFFFAOYSA-N 2 1 346.515 3.376 20 0 EGADMP CCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(CC)CC)CC1 ZINC001317004644 1384764940 /nfs/dbraw/zinc/76/49/40/1384764940.db2.gz BMUNVTSSDJUIRP-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](CC(C)C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001172401490 1384784774 /nfs/dbraw/zinc/78/47/74/1384784774.db2.gz ZNIIYEYQRKZXIY-ZRNYENFQSA-N 2 1 347.551 3.276 20 0 EGADMP CC[C@H](CC(C)C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001172401490 1384784775 /nfs/dbraw/zinc/78/47/75/1384784775.db2.gz ZNIIYEYQRKZXIY-ZRNYENFQSA-N 2 1 347.551 3.276 20 0 EGADMP CC[C@H](CC(C)C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001172401490 1384784776 /nfs/dbraw/zinc/78/47/76/1384784776.db2.gz ZNIIYEYQRKZXIY-ZRNYENFQSA-N 2 1 347.551 3.276 20 0 EGADMP CC[C@H](CC(C)C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001172401490 1384784778 /nfs/dbraw/zinc/78/47/78/1384784778.db2.gz ZNIIYEYQRKZXIY-ZRNYENFQSA-N 2 1 347.551 3.276 20 0 EGADMP CC(C)OCC[C@H](C)[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172448688 1384793724 /nfs/dbraw/zinc/79/37/24/1384793724.db2.gz WYHKGIWHSRSOOL-RBUKOAKNSA-N 2 1 326.525 3.013 20 0 EGADMP CC(C)OCC[C@H](C)[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172448688 1384793722 /nfs/dbraw/zinc/79/37/22/1384793722.db2.gz WYHKGIWHSRSOOL-RBUKOAKNSA-N 2 1 326.525 3.013 20 0 EGADMP CC(C)OCC[C@H](C)[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001172448688 1384793726 /nfs/dbraw/zinc/79/37/26/1384793726.db2.gz WYHKGIWHSRSOOL-RBUKOAKNSA-N 2 1 326.525 3.013 20 0 EGADMP CC(C)OCC[C@H](C)[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001172448688 1384793728 /nfs/dbraw/zinc/79/37/28/1384793728.db2.gz WYHKGIWHSRSOOL-RBUKOAKNSA-N 2 1 326.525 3.013 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001172632866 1384823071 /nfs/dbraw/zinc/82/30/71/1384823071.db2.gz KCJPAIWMGKQJDS-APWZRJJASA-N 2 1 336.520 3.447 20 0 EGADMP CC1(C)CC([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC(C)(C)O1 ZINC001172653746 1384826602 /nfs/dbraw/zinc/82/66/02/1384826602.db2.gz QKTCSBRBJLPCKF-WKILWMFISA-N 2 1 338.536 3.474 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001317065022 1384835104 /nfs/dbraw/zinc/83/51/04/1384835104.db2.gz OEZSUZTWKCPMEC-ROUUACIJSA-N 2 1 345.531 3.224 20 0 EGADMP COC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001172770348 1384848232 /nfs/dbraw/zinc/84/82/32/1384848232.db2.gz LAZWKBMTSXMNHJ-RBUKOAKNSA-N 2 1 344.499 3.363 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001172794725 1384853722 /nfs/dbraw/zinc/85/37/22/1384853722.db2.gz GATMESQDFFATMT-AKHDSKFASA-N 2 1 336.520 3.447 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001172794725 1384853725 /nfs/dbraw/zinc/85/37/25/1384853725.db2.gz GATMESQDFFATMT-AKHDSKFASA-N 2 1 336.520 3.447 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001172794725 1384853729 /nfs/dbraw/zinc/85/37/29/1384853729.db2.gz GATMESQDFFATMT-AKHDSKFASA-N 2 1 336.520 3.447 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001172799960 1384854778 /nfs/dbraw/zinc/85/47/78/1384854778.db2.gz JPQSKZMIIWPTJT-OOKSDGMUSA-N 2 1 349.519 3.014 20 0 EGADMP CO[C@@H]1CCC[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001172953180 1384888706 /nfs/dbraw/zinc/88/87/06/1384888706.db2.gz ZGJNJHORCAKOGQ-JSXRDJHFSA-N 2 1 328.500 3.398 20 0 EGADMP CO[C@@H]1CCC[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001172953180 1384888711 /nfs/dbraw/zinc/88/87/11/1384888711.db2.gz ZGJNJHORCAKOGQ-JSXRDJHFSA-N 2 1 328.500 3.398 20 0 EGADMP CO[C@@H]1CCC[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001172953180 1384888716 /nfs/dbraw/zinc/88/87/16/1384888716.db2.gz ZGJNJHORCAKOGQ-JSXRDJHFSA-N 2 1 328.500 3.398 20 0 EGADMP C[C@@H]1CC[C@@H]([N@H+](C)CCC[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001173068328 1384906518 /nfs/dbraw/zinc/90/65/18/1384906518.db2.gz GDUVNKGXSITZDH-IAGOWNOFSA-N 2 1 339.524 3.192 20 0 EGADMP C[C@@H]1CC[C@@H]([N@@H+](C)CCC[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001173068328 1384906520 /nfs/dbraw/zinc/90/65/20/1384906520.db2.gz GDUVNKGXSITZDH-IAGOWNOFSA-N 2 1 339.524 3.192 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]3OCCC[C@@]3(COC)C2)CC1 ZINC001173109459 1384916710 /nfs/dbraw/zinc/91/67/10/1384916710.db2.gz BNUGIINFKUWONV-TUNPWDSISA-N 2 1 338.536 3.157 20 0 EGADMP CC[NH+](CC)C1CCC([N@@H+](CC)CCNC(=O)OC(C)(C)C)CC1 ZINC001173113395 1384917589 /nfs/dbraw/zinc/91/75/89/1384917589.db2.gz PDRPQWZKBCLKFK-UHFFFAOYSA-N 2 1 341.540 3.486 20 0 EGADMP CCOC(=O)c1coc2c1C[N@@H+](C1CCC([NH+](CC)CC)CC1)C2 ZINC001173113525 1384917870 /nfs/dbraw/zinc/91/78/70/1384917870.db2.gz SEOQNOLWDGPYIG-UHFFFAOYSA-N 2 1 334.460 3.425 20 0 EGADMP CCOC(=O)c1coc2c1C[N@H+](C1CCC([NH+](CC)CC)CC1)C2 ZINC001173113525 1384917872 /nfs/dbraw/zinc/91/78/72/1384917872.db2.gz SEOQNOLWDGPYIG-UHFFFAOYSA-N 2 1 334.460 3.425 20 0 EGADMP CCc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)cc1 ZINC001173242140 1384943913 /nfs/dbraw/zinc/94/39/13/1384943913.db2.gz SUMJTQGSTSNZGG-LAUBAEHRSA-N 2 1 330.516 3.271 20 0 EGADMP CCc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)cc1 ZINC001173242140 1384943919 /nfs/dbraw/zinc/94/39/19/1384943919.db2.gz SUMJTQGSTSNZGG-LAUBAEHRSA-N 2 1 330.516 3.271 20 0 EGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001173261038 1384946301 /nfs/dbraw/zinc/94/63/01/1384946301.db2.gz NSJALXCNTOONLW-VAMGGRTRSA-N 2 1 340.552 3.260 20 0 EGADMP CCCC[C@H](CC(C)C)[NH+]1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001173261038 1384946304 /nfs/dbraw/zinc/94/63/04/1384946304.db2.gz NSJALXCNTOONLW-VAMGGRTRSA-N 2 1 340.552 3.260 20 0 EGADMP CCCC[C@H](CC(C)C)[NH+]1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001173261038 1384946306 /nfs/dbraw/zinc/94/63/06/1384946306.db2.gz NSJALXCNTOONLW-VAMGGRTRSA-N 2 1 340.552 3.260 20 0 EGADMP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@H]3CC[C@H](CC)C3)CC2)CC1 ZINC001173280636 1384950629 /nfs/dbraw/zinc/95/06/29/1384950629.db2.gz NBAXYMWVTPCOLN-LPHOPBHVSA-N 2 1 336.520 3.305 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C)ccc1C)[NH+](C)C ZINC001317179483 1384953949 /nfs/dbraw/zinc/95/39/49/1384953949.db2.gz SYLIUOAREGYVPQ-PMACEKPBSA-N 2 1 345.531 3.114 20 0 EGADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001173360163 1384964305 /nfs/dbraw/zinc/96/43/05/1384964305.db2.gz HVZOMDUPTDOIMC-RAUXBKROSA-N 2 1 347.572 3.375 20 0 EGADMP CCN1CC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001173360163 1384964306 /nfs/dbraw/zinc/96/43/06/1384964306.db2.gz HVZOMDUPTDOIMC-RAUXBKROSA-N 2 1 347.572 3.375 20 0 EGADMP CCN1CC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001173360163 1384964309 /nfs/dbraw/zinc/96/43/09/1384964309.db2.gz HVZOMDUPTDOIMC-RAUXBKROSA-N 2 1 347.572 3.375 20 0 EGADMP CC[N@@H+]1CC[C@H](N2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001173360163 1384964311 /nfs/dbraw/zinc/96/43/11/1384964311.db2.gz HVZOMDUPTDOIMC-RAUXBKROSA-N 2 1 347.572 3.375 20 0 EGADMP CC[N@H+]1CC[C@H](N2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001173360163 1384964312 /nfs/dbraw/zinc/96/43/12/1384964312.db2.gz HVZOMDUPTDOIMC-RAUXBKROSA-N 2 1 347.572 3.375 20 0 EGADMP CC[NH+]1CC[C@H](N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001173360163 1384964313 /nfs/dbraw/zinc/96/43/13/1384964313.db2.gz HVZOMDUPTDOIMC-RAUXBKROSA-N 2 1 347.572 3.375 20 0 EGADMP CC[NH+]1CC[C@H](N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001173360163 1384964315 /nfs/dbraw/zinc/96/43/15/1384964315.db2.gz HVZOMDUPTDOIMC-RAUXBKROSA-N 2 1 347.572 3.375 20 0 EGADMP COC(=O)CCCC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001173440506 1384970400 /nfs/dbraw/zinc/97/04/00/1384970400.db2.gz IGKCWJUPFJLBMG-GOSISDBHSA-N 2 1 346.515 3.405 20 0 EGADMP COC(=O)CCCC[C@H](C)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001173446306 1384971611 /nfs/dbraw/zinc/97/16/11/1384971611.db2.gz RQVUQSDKUHNOEP-HNNXBMFYSA-N 2 1 336.451 3.197 20 0 EGADMP COC(=O)CCCC[C@H](C)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001173453044 1384973621 /nfs/dbraw/zinc/97/36/21/1384973621.db2.gz XBZCQPCRBZCMGA-KRWDZBQOSA-N 2 1 336.520 3.449 20 0 EGADMP COC(=O)CCCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001173455612 1384973973 /nfs/dbraw/zinc/97/39/73/1384973973.db2.gz RFNPPBCWIYRSDG-YSIASYRMSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)CCCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001173455612 1384973976 /nfs/dbraw/zinc/97/39/76/1384973976.db2.gz RFNPPBCWIYRSDG-YSIASYRMSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)CCCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001173455612 1384973979 /nfs/dbraw/zinc/97/39/79/1384973979.db2.gz RFNPPBCWIYRSDG-YSIASYRMSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)c1ccc(C[C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001173724433 1385010282 /nfs/dbraw/zinc/01/02/82/1385010282.db2.gz ZBOLCWRQQHVJGO-AXUOBQJMSA-N 2 1 330.472 3.009 20 0 EGADMP COC(=O)c1ccc(C[C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001173724433 1385010283 /nfs/dbraw/zinc/01/02/83/1385010283.db2.gz ZBOLCWRQQHVJGO-AXUOBQJMSA-N 2 1 330.472 3.009 20 0 EGADMP O[C@@H](C[NH2+]C1CC[NH+](CC2CCCC2)CC1)c1c(F)cccc1F ZINC001335893402 1388961637 /nfs/dbraw/zinc/96/16/37/1388961637.db2.gz VJBQFIUMKPTGFM-SFHVURJKSA-N 2 1 338.442 3.242 20 0 EGADMP c1cc(N2CCCC2)c(Nc2ccc(C[NH+]3CCOCC3)cc2)c[nH+]1 ZINC001174445255 1385109913 /nfs/dbraw/zinc/10/99/13/1385109913.db2.gz DSEISQKDLNKWJC-UHFFFAOYSA-N 2 1 338.455 3.258 20 0 EGADMP C[C@H]1CCC[C@@H](CC[N@@H+](C)CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001317471749 1385166441 /nfs/dbraw/zinc/16/64/41/1385166441.db2.gz OMTSMHIRJXTHKZ-OALUTQOASA-N 2 1 337.552 3.127 20 0 EGADMP CC[N@H+](CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)CC1CCCCC1 ZINC001317493440 1385194855 /nfs/dbraw/zinc/19/48/55/1385194855.db2.gz ZGULIHXIJBYATN-HXUWFJFHSA-N 2 1 345.531 3.308 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)CC1CCCCC1 ZINC001317493440 1385194858 /nfs/dbraw/zinc/19/48/58/1385194858.db2.gz ZGULIHXIJBYATN-HXUWFJFHSA-N 2 1 345.531 3.308 20 0 EGADMP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175256954 1385231053 /nfs/dbraw/zinc/23/10/53/1385231053.db2.gz RCPUXKRQMDLXGT-ZWKOTPCHSA-N 2 1 325.541 3.316 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175264782 1385234117 /nfs/dbraw/zinc/23/41/17/1385234117.db2.gz WCCYMXVNLCSFJQ-MSOLQXFVSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@@H](C)c1ccccc1 ZINC001317544718 1385289461 /nfs/dbraw/zinc/28/94/61/1385289461.db2.gz RDJWRORMBYUNOE-SFHVURJKSA-N 2 1 345.531 3.308 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)CCCC[NH2+]CC1CCC1 ZINC001175566755 1385334705 /nfs/dbraw/zinc/33/47/05/1385334705.db2.gz ZHHOLTWKTIIGBQ-QGZVFWFLSA-N 2 1 348.535 3.461 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)CCCC[NH2+]CC1CCC1 ZINC001175704527 1385379719 /nfs/dbraw/zinc/37/97/19/1385379719.db2.gz YNLVKKUUPQKXAQ-MRXNPFEDSA-N 2 1 334.508 3.036 20 0 EGADMP C[NH+](C)CCc1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001175863264 1385424986 /nfs/dbraw/zinc/42/49/86/1385424986.db2.gz BYDXUIKRAHKCTE-UHFFFAOYSA-N 2 1 339.483 3.367 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC001175905612 1385434522 /nfs/dbraw/zinc/43/45/22/1385434522.db2.gz BUGYFXZUGBGUHI-HXUWFJFHSA-N 2 1 333.495 3.380 20 0 EGADMP CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001317766677 1385456103 /nfs/dbraw/zinc/45/61/03/1385456103.db2.gz HGODDZJJGVJFOH-DZFYGRHCSA-N 2 1 343.943 3.030 20 0 EGADMP CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001317766677 1385456107 /nfs/dbraw/zinc/45/61/07/1385456107.db2.gz HGODDZJJGVJFOH-DZFYGRHCSA-N 2 1 343.943 3.030 20 0 EGADMP CCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1CC[NH+](C/C=C\Cl)C1 ZINC001317766677 1385456109 /nfs/dbraw/zinc/45/61/09/1385456109.db2.gz HGODDZJJGVJFOH-DZFYGRHCSA-N 2 1 343.943 3.030 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1CC[NH+](C/C=C\Cl)C1 ZINC001317766677 1385456111 /nfs/dbraw/zinc/45/61/11/1385456111.db2.gz HGODDZJJGVJFOH-DZFYGRHCSA-N 2 1 343.943 3.030 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176023407 1385463700 /nfs/dbraw/zinc/46/37/00/1385463700.db2.gz HNIJGMTYVQTVHB-BLGFXRMMSA-N 2 1 325.541 3.339 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CC1)c1ccccc1 ZINC001176120510 1385490237 /nfs/dbraw/zinc/49/02/37/1385490237.db2.gz RGHPIALKNHGUHE-FXAWDEMLSA-N 2 1 345.531 3.354 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176165464 1385501263 /nfs/dbraw/zinc/50/12/63/1385501263.db2.gz MPNXPDLGJNIYLR-HKUYNNGSSA-N 2 1 337.552 3.173 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001176359486 1385563843 /nfs/dbraw/zinc/56/38/43/1385563843.db2.gz WFLOZWDHSSZVBU-HRSGFYEVSA-N 2 1 349.563 3.483 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001317991003 1385602895 /nfs/dbraw/zinc/60/28/95/1385602895.db2.gz BFNSEDSJYXRXNG-FQEVSTJZSA-N 2 1 343.515 3.033 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC001318054293 1385618238 /nfs/dbraw/zinc/61/82/38/1385618238.db2.gz KVPQMWGXYDJHIK-FQEVSTJZSA-N 2 1 345.531 3.409 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001176563136 1385625626 /nfs/dbraw/zinc/62/56/26/1385625626.db2.gz BCTBPOLDHQMLFD-AZUAARDMSA-N 2 1 345.531 3.020 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1C ZINC001176754182 1385683990 /nfs/dbraw/zinc/68/39/90/1385683990.db2.gz SOTIRMGYKXJGPJ-IBGZPJMESA-N 2 1 347.547 3.408 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001176753686 1385684424 /nfs/dbraw/zinc/68/44/24/1385684424.db2.gz KOLONRNLRRCMTH-KRWDZBQOSA-N 2 1 325.541 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCCCF ZINC001176759621 1385686751 /nfs/dbraw/zinc/68/67/51/1385686751.db2.gz LWYFGEVACWXTSD-ZWKOTPCHSA-N 2 1 343.531 3.265 20 0 EGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001176760154 1385687033 /nfs/dbraw/zinc/68/70/33/1385687033.db2.gz QJNGLWXLODHCDR-PKOBYXMFSA-N 2 1 333.520 3.354 20 0 EGADMP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1)[NH+](C)C ZINC001318484738 1385718228 /nfs/dbraw/zinc/71/82/28/1385718228.db2.gz ZAUOTBYAYAILLN-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001176986424 1385765009 /nfs/dbraw/zinc/76/50/09/1385765009.db2.gz NWBMDBZCSGXVNL-HXUWFJFHSA-N 2 1 345.531 3.280 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001318630360 1385805419 /nfs/dbraw/zinc/80/54/19/1385805419.db2.gz SHMXGJDVVANDIO-HOTGVXAUSA-N 2 1 334.533 3.158 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001318630360 1385805422 /nfs/dbraw/zinc/80/54/22/1385805422.db2.gz SHMXGJDVVANDIO-HOTGVXAUSA-N 2 1 334.533 3.158 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1(C[NH2+][C@@H](C)c2ccccc2C)CCCC1 ZINC001318662921 1385822362 /nfs/dbraw/zinc/82/23/62/1385822362.db2.gz CCUBDLACWLXPKW-SFHVURJKSA-N 2 1 345.531 3.416 20 0 EGADMP CC/C=C\CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001177266330 1385889441 /nfs/dbraw/zinc/88/94/41/1385889441.db2.gz DPAWZDFEHRIFNF-FBQMEGEOSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C\CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001177266327 1385890003 /nfs/dbraw/zinc/89/00/03/1385890003.db2.gz DPAWZDFEHRIFNF-BBIZLLLXSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001177317320 1385911961 /nfs/dbraw/zinc/91/19/61/1385911961.db2.gz UNGQFFBBLDXZRZ-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001177320034 1385912954 /nfs/dbraw/zinc/91/29/54/1385912954.db2.gz YVNLARGZAYQJOV-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP O=C(CCc1cnc[nH]1)N(CCC[NH2+]CCC1CC1)CC1CCCC1 ZINC001177339912 1385920572 /nfs/dbraw/zinc/92/05/72/1385920572.db2.gz UORVMDTZHZWOEA-UHFFFAOYSA-N 2 1 346.519 3.141 20 0 EGADMP C[N@H+](CC(=O)NCCC[NH2+]CCCC(C)(C)C)Cc1ccccc1 ZINC001177344675 1385922538 /nfs/dbraw/zinc/92/25/38/1385922538.db2.gz PUXULHFPHLFLMA-UHFFFAOYSA-N 2 1 333.520 3.041 20 0 EGADMP C[N@@H+](CC(=O)NCCC[NH2+]CCCC(C)(C)C)Cc1ccccc1 ZINC001177344675 1385922540 /nfs/dbraw/zinc/92/25/40/1385922540.db2.gz PUXULHFPHLFLMA-UHFFFAOYSA-N 2 1 333.520 3.041 20 0 EGADMP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)CCC ZINC001177467188 1385967571 /nfs/dbraw/zinc/96/75/71/1385967571.db2.gz UYGOGLLKBRBFDP-UHFFFAOYSA-N 2 1 325.541 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CCC[NH2+]CCC1CC1)CC1CCCC1 ZINC001177467243 1385967632 /nfs/dbraw/zinc/96/76/32/1385967632.db2.gz XTUNKLXOKWGDLE-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001319390225 1386099964 /nfs/dbraw/zinc/09/99/64/1386099964.db2.gz XGIVDMRIHUJWPN-IBGZPJMESA-N 2 1 349.563 3.460 20 0 EGADMP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC001178522730 1386241127 /nfs/dbraw/zinc/24/11/27/1386241127.db2.gz PCYPQSZLZTXGGN-QWFCFKBJSA-N 2 1 345.531 3.354 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]CCC(C)(C)C)CC[N@H+]1C ZINC001178527436 1386242073 /nfs/dbraw/zinc/24/20/73/1386242073.db2.gz LPZRYOBFUBOGNU-ZWKOTPCHSA-N 2 1 339.568 3.419 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001178727105 1386291248 /nfs/dbraw/zinc/29/12/48/1386291248.db2.gz CGRSTBOEJZMQBX-OXQOHEQNSA-N 2 1 337.467 3.113 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178811412 1386313860 /nfs/dbraw/zinc/31/38/60/1386313860.db2.gz UYBQOKDTZPVHGA-RTBURBONSA-N 2 1 335.536 3.070 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC[C@H](C)F ZINC001178920640 1386349605 /nfs/dbraw/zinc/34/96/05/1386349605.db2.gz CCYOJXXWFVCMJU-ZWKOTPCHSA-N 2 1 343.531 3.121 20 0 EGADMP CN(CC[N@@H+](C)CCC1CCCCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001320016106 1386453239 /nfs/dbraw/zinc/45/32/39/1386453239.db2.gz HVRTYPYQKRHOIO-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1C ZINC001179632701 1386536099 /nfs/dbraw/zinc/53/60/99/1386536099.db2.gz CGPCFFBSNFSKAX-IRXDYDNUSA-N 2 1 348.535 3.412 20 0 EGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179633191 1386536275 /nfs/dbraw/zinc/53/62/75/1386536275.db2.gz KLVOUHAUNBJIMG-IRXDYDNUSA-N 2 1 334.508 3.166 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2)[C@@H]1C ZINC001179978506 1386656586 /nfs/dbraw/zinc/65/65/86/1386656586.db2.gz DHZOLSJAGVBVCP-AOIWGVFYSA-N 2 1 331.504 3.059 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]C[C@H](C)CC(C)C ZINC001179989493 1386660092 /nfs/dbraw/zinc/66/00/92/1386660092.db2.gz ZZTIWEPIIUGIFS-GOSISDBHSA-N 2 1 327.557 3.277 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001320709734 1386698265 /nfs/dbraw/zinc/69/82/65/1386698265.db2.gz XELKOWUZFYPCAV-QZTJIDSGSA-N 2 1 332.488 3.076 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CCCCCF ZINC001180117836 1386701390 /nfs/dbraw/zinc/70/13/90/1386701390.db2.gz GYVAJJFUAGJQFO-UHFFFAOYSA-N 2 1 331.520 3.124 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180260136 1386749203 /nfs/dbraw/zinc/74/92/03/1386749203.db2.gz UMRDYSZVMNMVQB-LJQANCHMSA-N 2 1 345.531 3.021 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCCCCCNC(=O)C[N@H+](C)C(C)C ZINC001180369428 1386776295 /nfs/dbraw/zinc/77/62/95/1386776295.db2.gz FLUVNXSZCAPNPQ-UHFFFAOYSA-N 2 1 347.547 3.410 20 0 EGADMP CC(C)(C)[C@@]1(C[N@@H+]2CC[C@@](F)(CO)C2)CC[NH+](Cc2ccccc2)C1 ZINC001181145329 1386946586 /nfs/dbraw/zinc/94/65/86/1386946586.db2.gz PLXHNERRIUWNFM-SFTDATJTSA-N 2 1 348.506 3.331 20 0 EGADMP CC(C)(C)[C@@]1(C[N@H+]2CC[C@@](F)(CO)C2)CC[NH+](Cc2ccccc2)C1 ZINC001181145329 1386946590 /nfs/dbraw/zinc/94/65/90/1386946590.db2.gz PLXHNERRIUWNFM-SFTDATJTSA-N 2 1 348.506 3.331 20 0 EGADMP CC(C)(C)[C@@]1(C[NH+]2CC[C@@](F)(CO)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001181145329 1386946594 /nfs/dbraw/zinc/94/65/94/1386946594.db2.gz PLXHNERRIUWNFM-SFTDATJTSA-N 2 1 348.506 3.331 20 0 EGADMP CC(C)(C)[C@@]1(C[NH+]2CC[C@@](F)(CO)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001181145329 1386946601 /nfs/dbraw/zinc/94/66/01/1386946601.db2.gz PLXHNERRIUWNFM-SFTDATJTSA-N 2 1 348.506 3.331 20 0 EGADMP CC[NH+](CC)CCOC(=O)c1cccc(N[C@@H]2CCC[N@@H+](CC)C2)c1 ZINC001181717196 1387044258 /nfs/dbraw/zinc/04/42/58/1387044258.db2.gz CWXFEQYYJIDWNZ-LJQANCHMSA-N 2 1 347.503 3.081 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@]1(C)C[NH2+]CC1=CCCCC1 ZINC001181930498 1387078872 /nfs/dbraw/zinc/07/88/72/1387078872.db2.gz AKRYLFBPNLGHCX-SLYNCCJLSA-N 2 1 347.547 3.045 20 0 EGADMP CC[NH+]1CCC(CC2CCN(C(=O)[C@H]3CC[N@H+](C(C)C)C3)CC2)CC1 ZINC001181975463 1387085561 /nfs/dbraw/zinc/08/55/61/1387085561.db2.gz DRRQVAVJWVKZJU-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CCc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]2CCCCC2)cc1 ZINC001322308733 1387154179 /nfs/dbraw/zinc/15/41/79/1387154179.db2.gz ZGBUSZZKVHDCIA-GOSISDBHSA-N 2 1 345.531 3.062 20 0 EGADMP CC(C)([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC001336775706 1389165376 /nfs/dbraw/zinc/16/53/76/1389165376.db2.gz OZRZSRWBWRUWPB-LJQANCHMSA-N 2 1 330.497 3.210 20 0 EGADMP CC(C)([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC001336775706 1389165379 /nfs/dbraw/zinc/16/53/79/1389165379.db2.gz OZRZSRWBWRUWPB-LJQANCHMSA-N 2 1 330.497 3.210 20 0 EGADMP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)CCCC1CCCC1 ZINC001329590847 1389169881 /nfs/dbraw/zinc/16/98/81/1389169881.db2.gz ZAKAESHPWGLUAQ-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccccc3N3CCCC3)C2)C1 ZINC001329612550 1389184208 /nfs/dbraw/zinc/18/42/08/1389184208.db2.gz NDFZJYBZCTULDN-ZVDOUQERSA-N 2 1 343.515 3.005 20 0 EGADMP CN(C)c1c(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)ccc(F)c1F ZINC001336887612 1389197021 /nfs/dbraw/zinc/19/70/21/1389197021.db2.gz DHYJRULCQJIGMX-BPUTZDHNSA-N 2 1 337.458 3.193 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC001330515942 1389441862 /nfs/dbraw/zinc/44/18/62/1389441862.db2.gz UPRGPZWEHJGQSV-IBGZPJMESA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001331028280 1389601515 /nfs/dbraw/zinc/60/15/15/1389601515.db2.gz DVCSXZUWPJBAKR-KRWDZBQOSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@H](C)C[NH+](C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001331028280 1389601516 /nfs/dbraw/zinc/60/15/16/1389601516.db2.gz DVCSXZUWPJBAKR-KRWDZBQOSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@H](C)C[NH+](C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001331028280 1389601519 /nfs/dbraw/zinc/60/15/19/1389601519.db2.gz DVCSXZUWPJBAKR-KRWDZBQOSA-N 2 1 337.552 3.076 20 0 EGADMP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@H+]3C(C)(C)C)CC2)CC1 ZINC001332772730 1390185122 /nfs/dbraw/zinc/18/51/22/1390185122.db2.gz ZRALNCRMWZWSMZ-DAWZGUTISA-N 2 1 335.536 3.019 20 0 EGADMP COc1cc(OC)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1F ZINC001334356275 1390523917 /nfs/dbraw/zinc/52/39/17/1390523917.db2.gz KTISPBVMORFCCA-OFQRWUPVSA-N 2 1 336.451 3.005 20 0 EGADMP C[NH2+]C1(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CCC1 ZINC001343395950 1390711030 /nfs/dbraw/zinc/71/10/30/1390711030.db2.gz WIAMWUJEFJHHSI-UHFFFAOYSA-N 2 1 343.515 3.209 20 0 EGADMP CC(C)c1cn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(=S)n1C ZINC001345107531 1390837865 /nfs/dbraw/zinc/83/78/65/1390837865.db2.gz BBZGPXPBOOUXBE-HRCADAONSA-N 2 1 336.549 3.299 20 0 EGADMP C[NH2+]C[C@H](C)C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC001348852050 1391275117 /nfs/dbraw/zinc/27/51/17/1391275117.db2.gz JCHNNWJBWOVEOZ-APHBMKBZSA-N 2 1 341.293 3.114 20 0 EGADMP Fc1ccc(OCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001349389196 1391326447 /nfs/dbraw/zinc/32/64/47/1391326447.db2.gz JFFXESMJTGMOAM-UHFFFAOYSA-N 2 1 326.843 3.324 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC[NH2+]C(C)(C)C ZINC001350349879 1391451648 /nfs/dbraw/zinc/45/16/48/1391451648.db2.gz ZLNQATXTBYWSJO-KRWDZBQOSA-N 2 1 345.531 3.455 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001480263416 1392647987 /nfs/dbraw/zinc/64/79/87/1392647987.db2.gz OAANVIKKTXNIGV-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001480349006 1392699090 /nfs/dbraw/zinc/69/90/90/1392699090.db2.gz BWIHZIAVKRGAKY-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@@H+](CCCC1CCC1)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001480873641 1392993535 /nfs/dbraw/zinc/99/35/35/1392993535.db2.gz INAAMCWUDYUGNI-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCCC1CCC1)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001480873641 1392993537 /nfs/dbraw/zinc/99/35/37/1392993537.db2.gz INAAMCWUDYUGNI-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCCC1CCC1)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001480873641 1392993540 /nfs/dbraw/zinc/99/35/40/1392993540.db2.gz INAAMCWUDYUGNI-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC001480901437 1393007492 /nfs/dbraw/zinc/00/74/92/1393007492.db2.gz PGTMNMVBHZYHCS-XLIONFOSSA-N 2 1 345.531 3.403 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001480901437 1393007493 /nfs/dbraw/zinc/00/74/93/1393007493.db2.gz PGTMNMVBHZYHCS-XLIONFOSSA-N 2 1 345.531 3.403 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+](C)CCNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001480901437 1393007500 /nfs/dbraw/zinc/00/75/00/1393007500.db2.gz PGTMNMVBHZYHCS-XLIONFOSSA-N 2 1 345.531 3.403 20 0 EGADMP CC[N@H+](C/C=C\c1ccccc1)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001481019527 1393095880 /nfs/dbraw/zinc/09/58/80/1393095880.db2.gz WFELMLDXFGTCEZ-IMTHGLKYSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C/C=C\c1ccccc1)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001481019527 1393095884 /nfs/dbraw/zinc/09/58/84/1393095884.db2.gz WFELMLDXFGTCEZ-IMTHGLKYSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C/C=C\c1ccccc1)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001481019527 1393095889 /nfs/dbraw/zinc/09/58/89/1393095889.db2.gz WFELMLDXFGTCEZ-IMTHGLKYSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001481118842 1393124715 /nfs/dbraw/zinc/12/47/15/1393124715.db2.gz NEFQIEHCKBIRFP-PXNSSMCTSA-N 2 1 345.531 3.088 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001490456695 1394233741 /nfs/dbraw/zinc/23/37/41/1394233741.db2.gz RFCWMRWHAJRROM-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001490456695 1394233755 /nfs/dbraw/zinc/23/37/55/1394233755.db2.gz RFCWMRWHAJRROM-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001490456695 1394233758 /nfs/dbraw/zinc/23/37/58/1394233758.db2.gz RFCWMRWHAJRROM-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001481526636 1394378630 /nfs/dbraw/zinc/37/86/30/1394378630.db2.gz SHLYTCGCBWRDHZ-ZWKOTPCHSA-N 2 1 343.515 3.121 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001482172999 1394786703 /nfs/dbraw/zinc/78/67/03/1394786703.db2.gz DCDZQKCDKWUBDK-OXJNMPFZSA-N 2 1 345.531 3.020 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCCc2ccccc21 ZINC001482356450 1394919341 /nfs/dbraw/zinc/91/93/41/1394919341.db2.gz NSOMWAWGQADLEU-YLJYHZDGSA-N 2 1 345.531 3.232 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC001483913101 1395141853 /nfs/dbraw/zinc/14/18/53/1395141853.db2.gz SMKHKPUCZYATJE-FUHWJXTLSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)Cn1cc[nH+]c1C(C)C ZINC001484400272 1395371617 /nfs/dbraw/zinc/37/16/17/1395371617.db2.gz NSODMVZCZGUDPD-UHFFFAOYSA-N 2 1 342.487 3.033 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001485040714 1395646827 /nfs/dbraw/zinc/64/68/27/1395646827.db2.gz YTOCGXUWIRXDFN-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP C[C@@H](c1ccccc1F)[N@@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001485763938 1396139483 /nfs/dbraw/zinc/13/94/83/1396139483.db2.gz XXTXSVXURULCLA-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001494875381 1396504076 /nfs/dbraw/zinc/50/40/76/1396504076.db2.gz HQSKURCLYULZKX-HXUWFJFHSA-N 2 1 345.531 3.087 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001494875381 1396504080 /nfs/dbraw/zinc/50/40/80/1396504080.db2.gz HQSKURCLYULZKX-HXUWFJFHSA-N 2 1 345.531 3.087 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001494875381 1396504084 /nfs/dbraw/zinc/50/40/84/1396504084.db2.gz HQSKURCLYULZKX-HXUWFJFHSA-N 2 1 345.531 3.087 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001494875381 1396504090 /nfs/dbraw/zinc/50/40/90/1396504090.db2.gz HQSKURCLYULZKX-HXUWFJFHSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC001495750674 1396555610 /nfs/dbraw/zinc/55/56/10/1396555610.db2.gz LNYYYTOFFHFUID-SJORKVTESA-N 2 1 342.487 3.110 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@@H]21 ZINC001699008411 1406834281 /nfs/dbraw/zinc/83/42/81/1406834281.db2.gz IVOZULYAMQBNQA-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)CC[C@@H]21 ZINC001699008411 1406834287 /nfs/dbraw/zinc/83/42/87/1406834287.db2.gz IVOZULYAMQBNQA-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)CC[C@@H]21 ZINC001699008411 1406834291 /nfs/dbraw/zinc/83/42/91/1406834291.db2.gz IVOZULYAMQBNQA-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001497864666 1396863205 /nfs/dbraw/zinc/86/32/05/1396863205.db2.gz LNHJCTFIINGWMS-MRXNPFEDSA-N 2 1 349.494 3.075 20 0 EGADMP C[C@@H](C[N@@H+](C)Cc1cccc2ccccc21)NC(=O)CCC[NH+](C)C ZINC001498368522 1396977313 /nfs/dbraw/zinc/97/73/13/1396977313.db2.gz DKXDXBIGVTYCPJ-KRWDZBQOSA-N 2 1 341.499 3.118 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)C1)c1ccccc1 ZINC001690112643 1404307863 /nfs/dbraw/zinc/30/78/63/1404307863.db2.gz DZALQQCITLYVBR-RTBURBONSA-N 2 1 345.531 3.306 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1)c1ccccc1 ZINC001690112643 1404307866 /nfs/dbraw/zinc/30/78/66/1404307866.db2.gz DZALQQCITLYVBR-RTBURBONSA-N 2 1 345.531 3.306 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1)c1ccccc1 ZINC001690112876 1404309485 /nfs/dbraw/zinc/30/94/85/1404309485.db2.gz OVJMRAASNAQXSN-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1)c1ccccc1 ZINC001690112876 1404309492 /nfs/dbraw/zinc/30/94/92/1404309492.db2.gz OVJMRAASNAQXSN-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001690824312 1404760416 /nfs/dbraw/zinc/76/04/16/1404760416.db2.gz AQPVUGLZQGGWSZ-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)c2ccccc2)C1 ZINC001690824312 1404760418 /nfs/dbraw/zinc/76/04/18/1404760418.db2.gz AQPVUGLZQGGWSZ-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2ccccc2)C1 ZINC001690824312 1404760420 /nfs/dbraw/zinc/76/04/20/1404760420.db2.gz AQPVUGLZQGGWSZ-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001690825041 1404762204 /nfs/dbraw/zinc/76/22/04/1404762204.db2.gz QCNNSGAAOKGWCV-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001690825041 1404762206 /nfs/dbraw/zinc/76/22/06/1404762206.db2.gz QCNNSGAAOKGWCV-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001690825041 1404762211 /nfs/dbraw/zinc/76/22/11/1404762211.db2.gz QCNNSGAAOKGWCV-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@@H+](C)CCNC(=O)C[NH+]2CC[C@H](C)C2)cc1 ZINC001690978626 1404888569 /nfs/dbraw/zinc/88/85/69/1404888569.db2.gz YDTNGDINSYSYEQ-ROUUACIJSA-N 2 1 345.531 3.261 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+](C)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001690978626 1404888575 /nfs/dbraw/zinc/88/85/75/1404888575.db2.gz YDTNGDINSYSYEQ-ROUUACIJSA-N 2 1 345.531 3.261 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+](C)CCNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001690978626 1404888578 /nfs/dbraw/zinc/88/85/78/1404888578.db2.gz YDTNGDINSYSYEQ-ROUUACIJSA-N 2 1 345.531 3.261 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)CCNC(=O)CCC[NH+]2CCCCC2)c1 ZINC001690996763 1404914105 /nfs/dbraw/zinc/91/41/05/1404914105.db2.gz SPFBKRSVQOPNDJ-LJQANCHMSA-N 2 1 345.531 3.370 20 0 EGADMP CC(C)(C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCC1)[NH+]1CCCCC1 ZINC001691079113 1405013695 /nfs/dbraw/zinc/01/36/95/1405013695.db2.gz HQONPKPZHVOTRL-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001691160536 1405096425 /nfs/dbraw/zinc/09/64/25/1405096425.db2.gz YLGAPNYDYHWHKU-KRWDZBQOSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001691160536 1405096430 /nfs/dbraw/zinc/09/64/30/1405096430.db2.gz YLGAPNYDYHWHKU-KRWDZBQOSA-N 2 1 348.535 3.271 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)CC1CC(C)C1 ZINC001691194527 1405133954 /nfs/dbraw/zinc/13/39/54/1405133954.db2.gz YOOPBUAWYHORON-CTWPCTMYSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)CC1CC(C)C1 ZINC001691194527 1405133956 /nfs/dbraw/zinc/13/39/56/1405133956.db2.gz YOOPBUAWYHORON-CTWPCTMYSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)CC1CC(C)C1 ZINC001691194527 1405133957 /nfs/dbraw/zinc/13/39/57/1405133957.db2.gz YOOPBUAWYHORON-CTWPCTMYSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001731857247 1428091733 /nfs/dbraw/zinc/09/17/33/1428091733.db2.gz JZPMVPYOXORWNW-LJQANCHMSA-N 2 1 337.552 3.127 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C2)c1 ZINC001692335664 1405956662 /nfs/dbraw/zinc/95/66/62/1405956662.db2.gz SIVBMSDHSFUMOY-QGZVFWFLSA-N 2 1 345.531 3.082 20 0 EGADMP CCCC[N@H+]1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001698584144 1406198605 /nfs/dbraw/zinc/19/86/05/1406198605.db2.gz LHSCCWVKDYUDCX-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001732165012 1428407148 /nfs/dbraw/zinc/40/71/48/1428407148.db2.gz JBXKBTFCAYKPAF-WOJBJXKFSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001732165012 1428407151 /nfs/dbraw/zinc/40/71/51/1428407151.db2.gz JBXKBTFCAYKPAF-WOJBJXKFSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001732165012 1428407153 /nfs/dbraw/zinc/40/71/53/1428407153.db2.gz JBXKBTFCAYKPAF-WOJBJXKFSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CC1)C1CCCCCC1 ZINC001699684271 1413080267 /nfs/dbraw/zinc/08/02/67/1413080267.db2.gz YGIBAGYEVOZYSB-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC1CC1)C1CCCCCC1 ZINC001699684271 1413080271 /nfs/dbraw/zinc/08/02/71/1413080271.db2.gz YGIBAGYEVOZYSB-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC1CC1)C1CCCCCC1 ZINC001699684271 1413080276 /nfs/dbraw/zinc/08/02/76/1413080276.db2.gz YGIBAGYEVOZYSB-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001700177763 1413587414 /nfs/dbraw/zinc/58/74/14/1413587414.db2.gz SRIXYPNHEQFQCE-HKUYNNGSSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001700190677 1413618901 /nfs/dbraw/zinc/61/89/01/1413618901.db2.gz HTKZUEWFFNZCKM-KRWDZBQOSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001700190677 1413618903 /nfs/dbraw/zinc/61/89/03/1413618903.db2.gz HTKZUEWFFNZCKM-KRWDZBQOSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001700190677 1413618907 /nfs/dbraw/zinc/61/89/07/1413618907.db2.gz HTKZUEWFFNZCKM-KRWDZBQOSA-N 2 1 331.504 3.012 20 0 EGADMP C[NH+](CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CCC1CC1)C1CCCCC1 ZINC001700355554 1413855447 /nfs/dbraw/zinc/85/54/47/1413855447.db2.gz JPXRAKMQUZYIGH-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CC1)C[C@H]1CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001700355554 1413855457 /nfs/dbraw/zinc/85/54/57/1413855457.db2.gz JPXRAKMQUZYIGH-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CC1)C[C@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001700355554 1413855465 /nfs/dbraw/zinc/85/54/65/1413855465.db2.gz JPXRAKMQUZYIGH-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CCC1CCCC1)C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001700365493 1413887972 /nfs/dbraw/zinc/88/79/72/1413887972.db2.gz POFWKMIXCSZUIG-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@@H]([NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)C(C)C)c1ccccc1 ZINC001732571144 1428766923 /nfs/dbraw/zinc/76/69/23/1428766923.db2.gz YDCXMWRMEUVNSV-RTBURBONSA-N 2 1 342.487 3.073 20 0 EGADMP CC(C)c1ccccc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001700755060 1414425684 /nfs/dbraw/zinc/42/56/84/1414425684.db2.gz FXAOKRLFYKIUKH-XLIONFOSSA-N 2 1 345.531 3.231 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC2(C[C@H]1C)CC[NH+](CC(C)C)CC2 ZINC001707123536 1417210678 /nfs/dbraw/zinc/21/06/78/1417210678.db2.gz FQQDRBSOVRGKAD-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001713099292 1417650427 /nfs/dbraw/zinc/65/04/27/1417650427.db2.gz KTRMSKKKQYSRDO-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)CCCC(C)(C)C)C1 ZINC001713135307 1417715030 /nfs/dbraw/zinc/71/50/30/1417715030.db2.gz GXOSPGWCLRMNCQ-SFHVURJKSA-N 2 1 339.568 3.325 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)CCCC(C)(C)C)C1 ZINC001713135307 1417715033 /nfs/dbraw/zinc/71/50/33/1417715033.db2.gz GXOSPGWCLRMNCQ-SFHVURJKSA-N 2 1 339.568 3.325 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](C[N@@H+](C)CCCC(C)(C)C)C1 ZINC001713135307 1417715035 /nfs/dbraw/zinc/71/50/35/1417715035.db2.gz GXOSPGWCLRMNCQ-SFHVURJKSA-N 2 1 339.568 3.325 20 0 EGADMP C[C@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC1CCCCCC1 ZINC001713417099 1418040616 /nfs/dbraw/zinc/04/06/16/1418040616.db2.gz FOZTVNYFSFGLOJ-QGZVFWFLSA-N 2 1 339.568 3.419 20 0 EGADMP CC[C@@H](C(=O)NCC[N@@H+](CC)[C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001713496258 1418205400 /nfs/dbraw/zinc/20/54/00/1418205400.db2.gz OGRHNVDSDCXWJW-YOEHRIQHSA-N 2 1 339.911 3.179 20 0 EGADMP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCCC2)CC1 ZINC001713515631 1418250715 /nfs/dbraw/zinc/25/07/15/1418250715.db2.gz YGNWMSQFFQLLDU-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)CCC1 ZINC001713530638 1418278604 /nfs/dbraw/zinc/27/86/04/1418278604.db2.gz JPGYIVSTIPMUPM-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@H]1CCC[C@H](C)C1 ZINC001713711230 1418470576 /nfs/dbraw/zinc/47/05/76/1418470576.db2.gz DVAVVLARVKLIHJ-ZGXWSNOMSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]1CCC[C@H](C)C1 ZINC001713711230 1418470577 /nfs/dbraw/zinc/47/05/77/1418470577.db2.gz DVAVVLARVKLIHJ-ZGXWSNOMSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H]1CCC[C@H](C)C1 ZINC001713711230 1418470580 /nfs/dbraw/zinc/47/05/80/1418470580.db2.gz DVAVVLARVKLIHJ-ZGXWSNOMSA-N 2 1 349.563 3.220 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001713711194 1418470844 /nfs/dbraw/zinc/47/08/44/1418470844.db2.gz YYMCTPMQCWKJNK-BGYRXZFFSA-N 2 1 347.547 3.118 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1CCC[NH+](C(C)C)C1 ZINC001713762498 1418573281 /nfs/dbraw/zinc/57/32/81/1418573281.db2.gz PFQCJRCQCIBQHI-HXUWFJFHSA-N 2 1 345.531 3.230 20 0 EGADMP CC[NH+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001713762498 1418573283 /nfs/dbraw/zinc/57/32/83/1418573283.db2.gz PFQCJRCQCIBQHI-HXUWFJFHSA-N 2 1 345.531 3.230 20 0 EGADMP CC[NH+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001713762498 1418573287 /nfs/dbraw/zinc/57/32/87/1418573287.db2.gz PFQCJRCQCIBQHI-HXUWFJFHSA-N 2 1 345.531 3.230 20 0 EGADMP CCN(C(=O)CC[NH+](C)C1CCCCC1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001714044719 1418838160 /nfs/dbraw/zinc/83/81/60/1418838160.db2.gz BNKOPNSBXIPJCF-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)CC[N@H+](C)C1CCCCC1)[C@H]1CC[NH+](CC2CCC2)C1 ZINC001714044719 1418838163 /nfs/dbraw/zinc/83/81/63/1418838163.db2.gz BNKOPNSBXIPJCF-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@H]1CC[NH+](CC2CCC2)C1 ZINC001714044719 1418838164 /nfs/dbraw/zinc/83/81/64/1418838164.db2.gz BNKOPNSBXIPJCF-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+][C@@H](CC)c1ccccc1 ZINC001714140112 1418942623 /nfs/dbraw/zinc/94/26/23/1418942623.db2.gz XFANZKJSOWAZST-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC001714283374 1419063315 /nfs/dbraw/zinc/06/33/15/1419063315.db2.gz FUQZWNMKFCDRFK-DLBZAZTESA-N 2 1 342.487 3.136 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001714289451 1419068245 /nfs/dbraw/zinc/06/82/45/1419068245.db2.gz KDMTVXKOTWNHBU-DLBZAZTESA-N 2 1 347.547 3.481 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001714304715 1419084513 /nfs/dbraw/zinc/08/45/13/1419084513.db2.gz HWOJECRLHNPEBD-JKSUJKDBSA-N 2 1 342.487 3.170 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCCC1 ZINC001714495204 1419219057 /nfs/dbraw/zinc/21/90/57/1419219057.db2.gz FTGWPXPMEIYBQL-CTWPCTMYSA-N 2 1 349.563 3.172 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+][C@H](C)c2ccccc2C)CCCC1 ZINC001714509310 1419236629 /nfs/dbraw/zinc/23/66/29/1419236629.db2.gz HTJJODSQWJBNDF-GOSISDBHSA-N 2 1 345.531 3.416 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@@H](C)c1ccc(F)cc1 ZINC001714584915 1419326529 /nfs/dbraw/zinc/32/65/29/1419326529.db2.gz SAASWIBNQRCIIH-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC001714584915 1419326532 /nfs/dbraw/zinc/32/65/32/1419326532.db2.gz SAASWIBNQRCIIH-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC001714584915 1419326537 /nfs/dbraw/zinc/32/65/37/1419326537.db2.gz SAASWIBNQRCIIH-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H](CC)c1ccc(F)cc1 ZINC001714645393 1419420166 /nfs/dbraw/zinc/42/01/66/1419420166.db2.gz NMWIXRHXCIKKCW-MOPGFXCFSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@H](CC)c1ccc(F)cc1 ZINC001714645393 1419420167 /nfs/dbraw/zinc/42/01/67/1419420167.db2.gz NMWIXRHXCIKKCW-MOPGFXCFSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@H](CC)c1ccc(F)cc1 ZINC001714645393 1419420169 /nfs/dbraw/zinc/42/01/69/1419420169.db2.gz NMWIXRHXCIKKCW-MOPGFXCFSA-N 2 1 349.494 3.199 20 0 EGADMP O=C(NCC[C@@H]1CC[N@@H+](CCCC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001714868199 1419596169 /nfs/dbraw/zinc/59/61/69/1419596169.db2.gz OOSHZVMSHLOWEO-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001714900741 1419641896 /nfs/dbraw/zinc/64/18/96/1419641896.db2.gz VPAQIPIPJZALOT-IRXDYDNUSA-N 2 1 349.494 3.009 20 0 EGADMP C[N@H+](CC(=O)NC1C[NH+](CCC2CCCCCC2)C1)CC(C)(C)C ZINC001714947076 1419689783 /nfs/dbraw/zinc/68/97/83/1419689783.db2.gz NITDOQPDOWTYFV-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](CC(=O)NC1C[NH+](CCC2CCCCCC2)C1)CC(C)(C)C ZINC001714947076 1419689787 /nfs/dbraw/zinc/68/97/87/1419689787.db2.gz NITDOQPDOWTYFV-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(CC[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001715178224 1419913320 /nfs/dbraw/zinc/91/33/20/1419913320.db2.gz ABCPGPHHHIRQHJ-SFHVURJKSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(C)c(C)c2)CCCC1 ZINC001715307241 1420016016 /nfs/dbraw/zinc/01/60/16/1420016016.db2.gz GBTXEYDABHTEBB-UHFFFAOYSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C[NH2+]CC1CC1)C1CCCCC1 ZINC001715402032 1420101266 /nfs/dbraw/zinc/10/12/66/1420101266.db2.gz JLCQTPRDMIRBCX-SFHVURJKSA-N 2 1 346.519 3.071 20 0 EGADMP CC(C)C[N@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001715484091 1420164185 /nfs/dbraw/zinc/16/41/85/1420164185.db2.gz DCUJLPGZCSVTHL-UHFFFAOYSA-N 2 1 348.535 3.223 20 0 EGADMP CC(C)C[N@@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001715484091 1420164187 /nfs/dbraw/zinc/16/41/87/1420164187.db2.gz DCUJLPGZCSVTHL-UHFFFAOYSA-N 2 1 348.535 3.223 20 0 EGADMP C[N@@H+](CCC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1)CC1CCC1 ZINC001715499171 1420181417 /nfs/dbraw/zinc/18/14/17/1420181417.db2.gz SMTBFGXGQKERLH-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001715568537 1420257662 /nfs/dbraw/zinc/25/76/62/1420257662.db2.gz XZDBZVYIBCGJJT-UXHICEINSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)C[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)C1CCCCCC1 ZINC001716713219 1420866084 /nfs/dbraw/zinc/86/60/84/1420866084.db2.gz DSQLFDMCAQVNHU-UHFFFAOYSA-N 2 1 349.563 3.412 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NCC[N@@H+](CC1CC1)C1CCCCCC1 ZINC001716714718 1420869886 /nfs/dbraw/zinc/86/98/86/1420869886.db2.gz WCHYQABDTYKQSR-UHFFFAOYSA-N 2 1 349.563 3.413 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)CC1 ZINC001716726534 1420885359 /nfs/dbraw/zinc/88/53/59/1420885359.db2.gz ODVJFSPGHDHXPY-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001733277462 1429443840 /nfs/dbraw/zinc/44/38/40/1429443840.db2.gz TYSFLMNHDSDDBO-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001733277462 1429443842 /nfs/dbraw/zinc/44/38/42/1429443842.db2.gz TYSFLMNHDSDDBO-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001733277462 1429443846 /nfs/dbraw/zinc/44/38/46/1429443846.db2.gz TYSFLMNHDSDDBO-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC001716788560 1420923420 /nfs/dbraw/zinc/92/34/20/1420923420.db2.gz MFBZFAAUXONCNN-OALUTQOASA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001717368450 1421304516 /nfs/dbraw/zinc/30/45/16/1421304516.db2.gz CKBGSKMKWXCEGM-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001717368450 1421304519 /nfs/dbraw/zinc/30/45/19/1421304519.db2.gz CKBGSKMKWXCEGM-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001717368450 1421304522 /nfs/dbraw/zinc/30/45/22/1421304522.db2.gz CKBGSKMKWXCEGM-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCCCC1 ZINC001717374641 1421316130 /nfs/dbraw/zinc/31/61/30/1421316130.db2.gz VJQPVYMCXIRLIP-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCCC1 ZINC001717374641 1421316132 /nfs/dbraw/zinc/31/61/32/1421316132.db2.gz VJQPVYMCXIRLIP-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCCC1 ZINC001717374641 1421316136 /nfs/dbraw/zinc/31/61/36/1421316136.db2.gz VJQPVYMCXIRLIP-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@]2(CC[NH+](CC3CCCCC3)C2)C1 ZINC001733296674 1429479596 /nfs/dbraw/zinc/47/95/96/1429479596.db2.gz JDNRBNGGLJOKMS-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@]2(CC[N@H+](CC3CCCCC3)C2)C1 ZINC001733296674 1429479599 /nfs/dbraw/zinc/47/95/99/1429479599.db2.gz JDNRBNGGLJOKMS-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@]2(CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001733296674 1429479602 /nfs/dbraw/zinc/47/96/02/1429479602.db2.gz JDNRBNGGLJOKMS-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)[C@@H]1C ZINC001717859820 1421671817 /nfs/dbraw/zinc/67/18/17/1421671817.db2.gz FOJDHQIIDPJLFP-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)[C@@H]1C ZINC001717859820 1421671819 /nfs/dbraw/zinc/67/18/19/1421671819.db2.gz FOJDHQIIDPJLFP-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)[C@@H]1C ZINC001717859820 1421671821 /nfs/dbraw/zinc/67/18/21/1421671821.db2.gz FOJDHQIIDPJLFP-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001717998886 1421766236 /nfs/dbraw/zinc/76/62/36/1421766236.db2.gz KJTFPRVZSBHULS-UHFFFAOYSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]CC2CCCCCC2)C1 ZINC001733440125 1429647300 /nfs/dbraw/zinc/64/73/00/1429647300.db2.gz CDSXJJJEJHPUCT-HXUWFJFHSA-N 2 1 337.552 3.127 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001733457680 1429677725 /nfs/dbraw/zinc/67/77/25/1429677725.db2.gz AETSLGPFFGREQL-FQEVSTJZSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001733457680 1429677727 /nfs/dbraw/zinc/67/77/27/1429677727.db2.gz AETSLGPFFGREQL-FQEVSTJZSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001733457680 1429677730 /nfs/dbraw/zinc/67/77/30/1429677730.db2.gz AETSLGPFFGREQL-FQEVSTJZSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001733464024 1429693890 /nfs/dbraw/zinc/69/38/90/1429693890.db2.gz SSFKZGNBKSRLFY-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001723483892 1424435889 /nfs/dbraw/zinc/43/58/89/1424435889.db2.gz KZDMLWPMWQUKPX-RBUKOAKNSA-N 2 1 343.515 3.123 20 0 EGADMP CC1CC(C[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2C)C2CCCCCC2)C1 ZINC001723639031 1424501775 /nfs/dbraw/zinc/50/17/75/1424501775.db2.gz DAKQKWYGEXDQMK-AFMYVXGZSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CC(C[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C)C2CCCCCC2)C1 ZINC001723639031 1424501779 /nfs/dbraw/zinc/50/17/79/1424501779.db2.gz DAKQKWYGEXDQMK-AFMYVXGZSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CC(C[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C)C2CCCCCC2)C1 ZINC001723639031 1424501781 /nfs/dbraw/zinc/50/17/81/1424501781.db2.gz DAKQKWYGEXDQMK-AFMYVXGZSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001724183720 1424717776 /nfs/dbraw/zinc/71/77/76/1424717776.db2.gz LBLORVFBYXCGQD-ICSRJNTNSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+]([C@@H](CC)c2ccccc2)C1 ZINC001724183720 1424717778 /nfs/dbraw/zinc/71/77/78/1424717778.db2.gz LBLORVFBYXCGQD-ICSRJNTNSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC001724183720 1424717784 /nfs/dbraw/zinc/71/77/84/1424717784.db2.gz LBLORVFBYXCGQD-ICSRJNTNSA-N 2 1 331.504 3.060 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C)C1CCC1 ZINC001725044741 1425473464 /nfs/dbraw/zinc/47/34/64/1425473464.db2.gz ZDKJYMRJYIKXBB-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCCC(C)(C)C)C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001725044741 1425473466 /nfs/dbraw/zinc/47/34/66/1425473466.db2.gz ZDKJYMRJYIKXBB-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCCC(C)(C)C)C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001725044741 1425473467 /nfs/dbraw/zinc/47/34/67/1425473467.db2.gz ZDKJYMRJYIKXBB-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001731413670 1427380616 /nfs/dbraw/zinc/38/06/16/1427380616.db2.gz LKWIVPQGGXVUJA-HNNXBMFYSA-N 2 1 337.533 3.004 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]([NH2+]CCCC(C)C)C1 ZINC001731433202 1427415333 /nfs/dbraw/zinc/41/53/33/1427415333.db2.gz PCASLGDMSGGAIS-SJORKVTESA-N 2 1 334.508 3.023 20 0 EGADMP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001731450723 1427427594 /nfs/dbraw/zinc/42/75/94/1427427594.db2.gz IONYKLUIODNOED-QWFCFKBJSA-N 2 1 349.563 3.457 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001731697613 1427748588 /nfs/dbraw/zinc/74/85/88/1427748588.db2.gz LPOSKADJCXSTMS-ZWKOTPCHSA-N 2 1 348.535 3.460 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C[C@@H](C)CC(C)C)CC1(C)C ZINC001733877695 1437704881 /nfs/dbraw/zinc/70/48/81/1437704881.db2.gz DKPAPYLNECDRRW-WMZOPIPTSA-N 2 1 348.535 3.090 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C[C@@H](C)CC(C)C)CC1(C)C ZINC001733877695 1437704882 /nfs/dbraw/zinc/70/48/82/1437704882.db2.gz DKPAPYLNECDRRW-WMZOPIPTSA-N 2 1 348.535 3.090 20 0 EGADMP CC(C)[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001733939438 1437755489 /nfs/dbraw/zinc/75/54/89/1437755489.db2.gz BGWZKEIJHFJKKZ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001734060091 1437853544 /nfs/dbraw/zinc/85/35/44/1437853544.db2.gz SMLMHADJXUFSMH-ROUUACIJSA-N 2 1 345.531 3.224 20 0 EGADMP CCCC[N@@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001734272238 1438003088 /nfs/dbraw/zinc/00/30/88/1438003088.db2.gz OGZPQOGIEANFLH-UHFFFAOYSA-N 2 1 331.504 3.085 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001734351874 1438069437 /nfs/dbraw/zinc/06/94/37/1438069437.db2.gz IBTHECMUAXQGMU-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)[C@@H]1C ZINC001734404366 1438084146 /nfs/dbraw/zinc/08/41/46/1438084146.db2.gz RXKIKJWUNAGISN-AZUAARDMSA-N 2 1 345.531 3.033 20 0 EGADMP C[C@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@H+]1CCCC1CCC1 ZINC001734456312 1438113807 /nfs/dbraw/zinc/11/38/07/1438113807.db2.gz HTNAHZPACBQDKC-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)[C@H]1C ZINC001734462455 1438119067 /nfs/dbraw/zinc/11/90/67/1438119067.db2.gz VUBYPTLCTBJGAL-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)[C@H]1C ZINC001734462455 1438119068 /nfs/dbraw/zinc/11/90/68/1438119068.db2.gz VUBYPTLCTBJGAL-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)[C@H]1C ZINC001734462455 1438119070 /nfs/dbraw/zinc/11/90/70/1438119070.db2.gz VUBYPTLCTBJGAL-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CCC(CC)C[N@@H+](C)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001752009415 1440132188 /nfs/dbraw/zinc/13/21/88/1440132188.db2.gz RCBRIXHGIFXDJZ-UHFFFAOYSA-N 2 1 330.476 3.131 20 0 EGADMP Cc1cc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)cs1 ZINC001752075603 1440138358 /nfs/dbraw/zinc/13/83/58/1440138358.db2.gz GFLCAAUCWUCUNJ-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)cs1 ZINC001752075603 1440138359 /nfs/dbraw/zinc/13/83/59/1440138359.db2.gz GFLCAAUCWUCUNJ-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)cs1 ZINC001752075603 1440138360 /nfs/dbraw/zinc/13/83/60/1440138360.db2.gz GFLCAAUCWUCUNJ-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccsc2)cc1 ZINC001752080158 1440138666 /nfs/dbraw/zinc/13/86/66/1440138666.db2.gz SIKGDUFTXJOARD-UHFFFAOYSA-N 2 1 345.512 3.062 20 0 EGADMP CC[N@@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1cccc(C)c1 ZINC001752229107 1440157853 /nfs/dbraw/zinc/15/78/53/1440157853.db2.gz HRAMMRXUYQFQJB-OALUTQOASA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H](C)c1cc(C)ccc1C ZINC001752232159 1440158747 /nfs/dbraw/zinc/15/87/47/1440158747.db2.gz WCKSYRLONOFZRX-RBUKOAKNSA-N 2 1 345.531 3.144 20 0 EGADMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](C)c1cc(C)ccc1C ZINC001752232159 1440158748 /nfs/dbraw/zinc/15/87/48/1440158748.db2.gz WCKSYRLONOFZRX-RBUKOAKNSA-N 2 1 345.531 3.144 20 0 EGADMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](C)c1cc(C)ccc1C ZINC001752232159 1440158749 /nfs/dbraw/zinc/15/87/49/1440158749.db2.gz WCKSYRLONOFZRX-RBUKOAKNSA-N 2 1 345.531 3.144 20 0 EGADMP CCCCC[NH+]1CCC2(C[C@H]2NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001752426237 1440177033 /nfs/dbraw/zinc/17/70/33/1440177033.db2.gz ICGMTJSHQBGGQN-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP CC/C=C/CC[NH+]1CCC(N(CCC)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001752439594 1440180864 /nfs/dbraw/zinc/18/08/64/1440180864.db2.gz KOMWKPKPUWZULZ-GHOSXJJBSA-N 2 1 349.563 3.388 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]([NH2+]CCC2CCCCCC2)C2CC2)C1 ZINC001752489843 1440186443 /nfs/dbraw/zinc/18/64/43/1440186443.db2.gz BLSXJGNNGBZOQO-QUCCMNQESA-N 2 1 349.563 3.173 20 0 EGADMP CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001752528503 1440193675 /nfs/dbraw/zinc/19/36/75/1440193675.db2.gz SUCVYJHOYPJFAD-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001752566350 1440195384 /nfs/dbraw/zinc/19/53/84/1440195384.db2.gz QMPWJGYJTBQSFG-RLLQIKCJSA-N 2 1 349.563 3.076 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CC1 ZINC001752818976 1440219552 /nfs/dbraw/zinc/21/95/52/1440219552.db2.gz MQWRHJSDDGWMJA-AEFFLSMTSA-N 2 1 346.519 3.167 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1CCCC[N@H+]1CCC1CC1 ZINC001752818976 1440219553 /nfs/dbraw/zinc/21/95/53/1440219553.db2.gz MQWRHJSDDGWMJA-AEFFLSMTSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001752824987 1440223383 /nfs/dbraw/zinc/22/33/83/1440223383.db2.gz JKJZLEWSTDJZTM-PMACEKPBSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001752824987 1440223384 /nfs/dbraw/zinc/22/33/84/1440223384.db2.gz JKJZLEWSTDJZTM-PMACEKPBSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)(C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCC1)[NH+]1CCCC1 ZINC001752826804 1440224001 /nfs/dbraw/zinc/22/40/01/1440224001.db2.gz CXVHWTBTSBWBGJ-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001752831132 1440225263 /nfs/dbraw/zinc/22/52/63/1440225263.db2.gz AQHIYGTZVCNZSD-RTBURBONSA-N 2 1 337.552 3.364 20 0 EGADMP C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001752835200 1440227265 /nfs/dbraw/zinc/22/72/65/1440227265.db2.gz CEUJHBNNWXHKTG-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001752840232 1440229932 /nfs/dbraw/zinc/22/99/32/1440229932.db2.gz JVOMFGGSSLNHTL-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC001752853463 1440234285 /nfs/dbraw/zinc/23/42/85/1440234285.db2.gz KZMJTASIIJWOMQ-YFHOEESVSA-N 2 1 343.515 3.059 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001752876998 1440238303 /nfs/dbraw/zinc/23/83/03/1440238303.db2.gz KVSRCNNLEFMFPL-AEFFLSMTSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001752940534 1440250901 /nfs/dbraw/zinc/25/09/01/1440250901.db2.gz PYJALTMILYDCKO-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001752998857 1440263515 /nfs/dbraw/zinc/26/35/15/1440263515.db2.gz OAMULJFIKKZESL-OALUTQOASA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001752998857 1440263516 /nfs/dbraw/zinc/26/35/16/1440263516.db2.gz OAMULJFIKKZESL-OALUTQOASA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001752998857 1440263517 /nfs/dbraw/zinc/26/35/17/1440263517.db2.gz OAMULJFIKKZESL-OALUTQOASA-N 2 1 335.536 3.138 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001753039954 1440275893 /nfs/dbraw/zinc/27/58/93/1440275893.db2.gz NVVGDLKAMZMEOC-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001753039954 1440275894 /nfs/dbraw/zinc/27/58/94/1440275894.db2.gz NVVGDLKAMZMEOC-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001753056148 1440281630 /nfs/dbraw/zinc/28/16/30/1440281630.db2.gz SWKPZPTXEQFQAT-HNNXBMFYSA-N 2 1 349.906 3.077 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001753094805 1440301783 /nfs/dbraw/zinc/30/17/83/1440301783.db2.gz JAJWYMIORNBIFV-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001753094805 1440301784 /nfs/dbraw/zinc/30/17/84/1440301784.db2.gz JAJWYMIORNBIFV-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001753094805 1440301785 /nfs/dbraw/zinc/30/17/85/1440301785.db2.gz JAJWYMIORNBIFV-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+]2CCC2CCCCCC2)C1 ZINC001753111324 1440308660 /nfs/dbraw/zinc/30/86/60/1440308660.db2.gz GKWOCSRTTUEYTC-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2CCC2CCCCCC2)C1 ZINC001753111324 1440308661 /nfs/dbraw/zinc/30/86/61/1440308661.db2.gz GKWOCSRTTUEYTC-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+]2CCC2CCCCCC2)C1 ZINC001753111324 1440308662 /nfs/dbraw/zinc/30/86/62/1440308662.db2.gz GKWOCSRTTUEYTC-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@@H](C)c1cccc(F)c1 ZINC001753116796 1440311766 /nfs/dbraw/zinc/31/17/66/1440311766.db2.gz OUJGMCKBWYBYCF-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)c1cccc(F)c1 ZINC001753116796 1440311767 /nfs/dbraw/zinc/31/17/67/1440311767.db2.gz OUJGMCKBWYBYCF-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)c1cccc(F)c1 ZINC001753116796 1440311768 /nfs/dbraw/zinc/31/17/68/1440311768.db2.gz OUJGMCKBWYBYCF-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001753276854 1440346467 /nfs/dbraw/zinc/34/64/67/1440346467.db2.gz AZRBZNNUYDULEK-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1ccccc1C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001753292231 1440350715 /nfs/dbraw/zinc/35/07/15/1440350715.db2.gz GWWRXIHFAQFJFH-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccccc1C[NH+](CCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001753292231 1440350716 /nfs/dbraw/zinc/35/07/16/1440350716.db2.gz GWWRXIHFAQFJFH-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccccc1C[NH+](CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001753292231 1440350717 /nfs/dbraw/zinc/35/07/17/1440350717.db2.gz GWWRXIHFAQFJFH-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP CCCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001753349971 1440377493 /nfs/dbraw/zinc/37/74/93/1440377493.db2.gz ZTULUPNJVKZICM-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001753349971 1440377494 /nfs/dbraw/zinc/37/74/94/1440377494.db2.gz ZTULUPNJVKZICM-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001753349971 1440377495 /nfs/dbraw/zinc/37/74/95/1440377495.db2.gz ZTULUPNJVKZICM-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1=CCCCC1)CC(C)(C)C ZINC001753424845 1440396260 /nfs/dbraw/zinc/39/62/60/1440396260.db2.gz JJKGFTSPNRJDGU-OALUTQOASA-N 2 1 347.547 3.140 20 0 EGADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1=CCCCC1)CC(C)(C)C ZINC001753424845 1440396261 /nfs/dbraw/zinc/39/62/61/1440396261.db2.gz JJKGFTSPNRJDGU-OALUTQOASA-N 2 1 347.547 3.140 20 0 EGADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1=CCCCC1)CC(C)(C)C ZINC001753424845 1440396262 /nfs/dbraw/zinc/39/62/62/1440396262.db2.gz JJKGFTSPNRJDGU-OALUTQOASA-N 2 1 347.547 3.140 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001753448661 1440405059 /nfs/dbraw/zinc/40/50/59/1440405059.db2.gz YWJBCIBUKGSRAM-OALUTQOASA-N 2 1 345.531 3.321 20 0 EGADMP CCN(C(=O)CC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001753462303 1440411551 /nfs/dbraw/zinc/41/15/51/1440411551.db2.gz VJJUSUIEXXEGTA-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001753500704 1440423201 /nfs/dbraw/zinc/42/32/01/1440423201.db2.gz ARYYXJPCMCVVLF-HKUYNNGSSA-N 2 1 343.515 3.169 20 0 EGADMP CCC/C=C/CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001753503471 1440423962 /nfs/dbraw/zinc/42/39/62/1440423962.db2.gz HGHSOMDLHDWBAR-IKSUFZCESA-N 2 1 335.536 3.092 20 0 EGADMP C[C@H]([NH2+]CC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC001753510270 1440425772 /nfs/dbraw/zinc/42/57/72/1440425772.db2.gz NUCCDSACJDWNDE-ROUUACIJSA-N 2 1 343.515 3.108 20 0 EGADMP CC[C@H]([NH2+]CC1(NC(=O)C[N@@H+](C)C(C)C)CCCC1)c1ccccc1 ZINC001753511959 1440426228 /nfs/dbraw/zinc/42/62/28/1440426228.db2.gz PUQXTIJIQWJZSR-IBGZPJMESA-N 2 1 345.531 3.497 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@](C)(C[NH2+]CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001753528093 1440430113 /nfs/dbraw/zinc/43/01/13/1440430113.db2.gz UCAZVFGCHZKLAE-LAUBAEHRSA-N 2 1 349.563 3.029 20 0 EGADMP CCCCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001753561135 1440436989 /nfs/dbraw/zinc/43/69/89/1440436989.db2.gz MRSDMRAIYWPGDN-CTNGQTDRSA-N 2 1 349.563 3.271 20 0 EGADMP CC(C)C[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001753599044 1440445842 /nfs/dbraw/zinc/44/58/42/1440445842.db2.gz ZZDHPNQYYNZBCD-IBGZPJMESA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001753734686 1440477371 /nfs/dbraw/zinc/47/73/71/1440477371.db2.gz GWEHWENZJSFPFJ-VQTJNVASSA-N 2 1 345.531 3.180 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH2+]CC2CCC2)C2CCCCC2)CC[N@H+]1C ZINC001753748142 1440481720 /nfs/dbraw/zinc/48/17/20/1440481720.db2.gz HMYKKDAUGJTPCV-FFZOFVMBSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001753759300 1440483742 /nfs/dbraw/zinc/48/37/42/1440483742.db2.gz LBSUUTNGSZPUJN-AZUAARDMSA-N 2 1 349.563 3.434 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@H]1CC[NH2+]CC1CCCCC1)C1CCC1 ZINC001753780382 1440487213 /nfs/dbraw/zinc/48/72/13/1440487213.db2.gz VQGQMHCUSVBMMW-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+][C@@H](C)c1ccccc1 ZINC001753788467 1440488541 /nfs/dbraw/zinc/48/85/41/1440488541.db2.gz PRENIWVAEDBVJX-ICSRJNTNSA-N 2 1 345.531 3.450 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC2CCCCC2)C1 ZINC001753801203 1440490890 /nfs/dbraw/zinc/49/08/90/1440490890.db2.gz KRTRLDCOBAFJAB-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CC1CCC(C)CC1 ZINC001753854559 1440508373 /nfs/dbraw/zinc/50/83/73/1440508373.db2.gz ORJWHIYSORLRSD-CTWPCTMYSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)CC1CCC(C)CC1 ZINC001753854559 1440508374 /nfs/dbraw/zinc/50/83/74/1440508374.db2.gz ORJWHIYSORLRSD-CTWPCTMYSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CC1CCC(C)CC1 ZINC001753854559 1440508375 /nfs/dbraw/zinc/50/83/75/1440508375.db2.gz ORJWHIYSORLRSD-CTWPCTMYSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001753864361 1440513207 /nfs/dbraw/zinc/51/32/07/1440513207.db2.gz ISOBKLOFICEWTJ-RBUKOAKNSA-N 2 1 339.568 3.322 20 0 EGADMP CC(C)C[C@H](C)C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001753864361 1440513208 /nfs/dbraw/zinc/51/32/08/1440513208.db2.gz ISOBKLOFICEWTJ-RBUKOAKNSA-N 2 1 339.568 3.322 20 0 EGADMP CC(C)C[C@H](C)C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001753864361 1440513209 /nfs/dbraw/zinc/51/32/09/1440513209.db2.gz ISOBKLOFICEWTJ-RBUKOAKNSA-N 2 1 339.568 3.322 20 0 EGADMP C[C@H](C(=O)N(C)CC[N@@H+](C)CC1=CCCCC1)[NH+]1CCCCCC1 ZINC001753864858 1440513822 /nfs/dbraw/zinc/51/38/22/1440513822.db2.gz YKYAEPMFXVSTHT-GOSISDBHSA-N 2 1 335.536 3.142 20 0 EGADMP CN(CC[N@@H+](C)CC1=CCCCC1)C(=O)CCC[NH+]1CCCCC1 ZINC001753869542 1440516611 /nfs/dbraw/zinc/51/66/11/1440516611.db2.gz XEXFEDMPAKUKHF-UHFFFAOYSA-N 2 1 335.536 3.143 20 0 EGADMP C[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCCC(C)(C)C)C2)CC1 ZINC001753876116 1440519314 /nfs/dbraw/zinc/51/93/14/1440519314.db2.gz RABLMMLEGNCXRX-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[NH2+]CC[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001753999712 1440530074 /nfs/dbraw/zinc/53/00/74/1440530074.db2.gz OUCHINNRPXWNKA-LPHOPBHVSA-N 2 1 343.531 3.120 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C1CC1 ZINC001754225508 1440553321 /nfs/dbraw/zinc/55/33/21/1440553321.db2.gz YZDNLWGUZYZXBX-UZLBHIALSA-N 2 1 343.515 3.031 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1c(C)cc(C)cc1C ZINC001754228522 1440553643 /nfs/dbraw/zinc/55/36/43/1440553643.db2.gz LGKWQOQAJFDCBS-UYAOXDASSA-N 2 1 345.531 3.081 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001754313473 1440574247 /nfs/dbraw/zinc/57/42/47/1440574247.db2.gz WVWXZTRWPKXICV-HNAYVOBHSA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001754313473 1440574248 /nfs/dbraw/zinc/57/42/48/1440574248.db2.gz WVWXZTRWPKXICV-HNAYVOBHSA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001754313473 1440574249 /nfs/dbraw/zinc/57/42/49/1440574249.db2.gz WVWXZTRWPKXICV-HNAYVOBHSA-N 2 1 349.494 3.198 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC1CCCCCC1 ZINC001754335999 1440586604 /nfs/dbraw/zinc/58/66/04/1440586604.db2.gz JLBHXCREYFOTBC-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CCCCCC1 ZINC001754335999 1440586605 /nfs/dbraw/zinc/58/66/05/1440586605.db2.gz JLBHXCREYFOTBC-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1CCCCCC1 ZINC001754335999 1440586606 /nfs/dbraw/zinc/58/66/06/1440586606.db2.gz JLBHXCREYFOTBC-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001754354530 1440591339 /nfs/dbraw/zinc/59/13/39/1440591339.db2.gz SWQIZFPQBIQJGM-SJORKVTESA-N 2 1 325.541 3.029 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001754374061 1440592851 /nfs/dbraw/zinc/59/28/51/1440592851.db2.gz VQSKFPNPFLCZBD-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CCC2CCCCCC2)CC1 ZINC001754516045 1440618471 /nfs/dbraw/zinc/61/84/71/1440618471.db2.gz MHVYBJUFZXPJNV-LJQANCHMSA-N 2 1 349.563 3.460 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C[C@@H]1C ZINC001754604241 1440642993 /nfs/dbraw/zinc/64/29/93/1440642993.db2.gz VBQWODOASLKUNN-PKOBYXMFSA-N 2 1 335.536 3.186 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CCC(C)C)C2CCCC2)CC[N@H+]1C ZINC001754649340 1440651428 /nfs/dbraw/zinc/65/14/28/1440651428.db2.gz JBHSNZCERACIKX-IPMKNSEASA-N 2 1 337.552 3.027 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@]2(CC[NH+](CC3CCCC3)C2)C1 ZINC001754662301 1440655342 /nfs/dbraw/zinc/65/53/42/1440655342.db2.gz VNXWPQHRKDBJSH-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001754662301 1440655343 /nfs/dbraw/zinc/65/53/43/1440655343.db2.gz VNXWPQHRKDBJSH-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001754662301 1440655344 /nfs/dbraw/zinc/65/53/44/1440655344.db2.gz VNXWPQHRKDBJSH-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP C[C@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001754680111 1440661623 /nfs/dbraw/zinc/66/16/23/1440661623.db2.gz HDNBGUCQVWSFSR-APWZRJJASA-N 2 1 349.544 3.093 20 0 EGADMP CC(C)(C)CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001754711383 1440670300 /nfs/dbraw/zinc/67/03/00/1440670300.db2.gz ZWZFZUMLCQKSCG-RTWAWAEBSA-N 2 1 349.563 3.127 20 0 EGADMP CC/C=C\CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001754717916 1440672216 /nfs/dbraw/zinc/67/22/16/1440672216.db2.gz IVNVIEUXWQXAJJ-OOFWQKGWSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCCC(C)C)CC[N@H+]1C ZINC001754864225 1440702212 /nfs/dbraw/zinc/70/22/12/1440702212.db2.gz AFURHDZLOWTFMA-NMLBUPMWSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCCC(C)C)CC[NH+]1C ZINC001754864225 1440702213 /nfs/dbraw/zinc/70/22/13/1440702213.db2.gz AFURHDZLOWTFMA-NMLBUPMWSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCCC(C)C)CC[NH+]1C ZINC001754864225 1440702214 /nfs/dbraw/zinc/70/22/14/1440702214.db2.gz AFURHDZLOWTFMA-NMLBUPMWSA-N 2 1 349.563 3.218 20 0 EGADMP CCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001754868248 1440703878 /nfs/dbraw/zinc/70/38/78/1440703878.db2.gz OBMZDWRWKSTJCT-CEXWTWQISA-N 2 1 337.552 3.218 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001754869845 1440704653 /nfs/dbraw/zinc/70/46/53/1440704653.db2.gz QPTQOXQBRKWDGD-GUDVDZBRSA-N 2 1 337.552 3.362 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CC[NH2+]CCC3CCCCC3)C2)CC[N@H+]1C ZINC001754916276 1440708676 /nfs/dbraw/zinc/70/86/76/1440708676.db2.gz SKHNHMNJARACEN-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001754954880 1440716110 /nfs/dbraw/zinc/71/61/10/1440716110.db2.gz VACRKMQQSCSKQJ-FQEVSTJZSA-N 2 1 345.531 3.409 20 0 EGADMP CCCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001754954880 1440716111 /nfs/dbraw/zinc/71/61/11/1440716111.db2.gz VACRKMQQSCSKQJ-FQEVSTJZSA-N 2 1 345.531 3.409 20 0 EGADMP CCCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001754954880 1440716112 /nfs/dbraw/zinc/71/61/12/1440716112.db2.gz VACRKMQQSCSKQJ-FQEVSTJZSA-N 2 1 345.531 3.409 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCC1 ZINC001754985306 1440722510 /nfs/dbraw/zinc/72/25/10/1440722510.db2.gz NRXILHJWSSTDBK-LJQANCHMSA-N 2 1 347.547 3.378 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001755024678 1440728212 /nfs/dbraw/zinc/72/82/12/1440728212.db2.gz GILPZKBVAUONQF-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001755024678 1440728213 /nfs/dbraw/zinc/72/82/13/1440728213.db2.gz GILPZKBVAUONQF-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001755024678 1440728214 /nfs/dbraw/zinc/72/82/14/1440728214.db2.gz GILPZKBVAUONQF-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001755027763 1440729913 /nfs/dbraw/zinc/72/99/13/1440729913.db2.gz GRBTYOXAAVTXOG-OALUTQOASA-N 2 1 345.531 3.369 20 0 EGADMP CCCC[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001755031545 1440731914 /nfs/dbraw/zinc/73/19/14/1440731914.db2.gz UNJDCDUWIMVCOL-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001755031545 1440731915 /nfs/dbraw/zinc/73/19/15/1440731915.db2.gz UNJDCDUWIMVCOL-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001755031545 1440731916 /nfs/dbraw/zinc/73/19/16/1440731916.db2.gz UNJDCDUWIMVCOL-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001755034570 1440733483 /nfs/dbraw/zinc/73/34/83/1440733483.db2.gz UASAZAPUFDFHTR-VQTJNVASSA-N 2 1 343.515 3.226 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001755034570 1440733484 /nfs/dbraw/zinc/73/34/84/1440733484.db2.gz UASAZAPUFDFHTR-VQTJNVASSA-N 2 1 343.515 3.226 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH+](C)CC2CC3(CCC3)C2)CC[N@H+]1C ZINC001755041449 1440737726 /nfs/dbraw/zinc/73/77/26/1440737726.db2.gz AUKSYZJRYSFBCW-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)CCC[N@H+](C)CC2CC3(CCC3)C2)CC[NH+]1C ZINC001755041449 1440737727 /nfs/dbraw/zinc/73/77/27/1440737727.db2.gz AUKSYZJRYSFBCW-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)CCC[N@@H+](C)CC2CC3(CCC3)C2)CC[NH+]1C ZINC001755041449 1440737728 /nfs/dbraw/zinc/73/77/28/1440737728.db2.gz AUKSYZJRYSFBCW-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001755047434 1440742070 /nfs/dbraw/zinc/74/20/70/1440742070.db2.gz NTDQAJQZVCBARG-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001755072573 1440747167 /nfs/dbraw/zinc/74/71/67/1440747167.db2.gz LNXUAXARSOMTJX-HPFMTEOYSA-N 2 1 335.536 3.045 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@]2(CC[NH+](CCC3CCCC3)C2)C1 ZINC001755079377 1440750213 /nfs/dbraw/zinc/75/02/13/1440750213.db2.gz IUNQFQQDNRQEKK-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@]2(CC[N@H+](CCC3CCCC3)C2)C1 ZINC001755079377 1440750214 /nfs/dbraw/zinc/75/02/14/1440750214.db2.gz IUNQFQQDNRQEKK-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001755079377 1440750215 /nfs/dbraw/zinc/75/02/15/1440750215.db2.gz IUNQFQQDNRQEKK-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001755128227 1440756565 /nfs/dbraw/zinc/75/65/65/1440756565.db2.gz XLKVFUKIJUTANO-KBSZCIAZSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001755142307 1440761233 /nfs/dbraw/zinc/76/12/33/1440761233.db2.gz QJZLBVJCZRECQK-AEFFLSMTSA-N 2 1 348.535 3.235 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001755142307 1440761234 /nfs/dbraw/zinc/76/12/34/1440761234.db2.gz QJZLBVJCZRECQK-AEFFLSMTSA-N 2 1 348.535 3.235 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001755161978 1440765080 /nfs/dbraw/zinc/76/50/80/1440765080.db2.gz OVMJRVAPNGLKCL-YSKLNCTFSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@H]2C[N@H+](C)CCCC2CCCC2)C1 ZINC001755199447 1440778623 /nfs/dbraw/zinc/77/86/23/1440778623.db2.gz WTMDYLCLTIKOME-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@H]2C[N@@H+](C)CCCC2CCCC2)C1 ZINC001755199447 1440778624 /nfs/dbraw/zinc/77/86/24/1440778624.db2.gz WTMDYLCLTIKOME-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)CC1CCCCC1 ZINC001755200552 1440779305 /nfs/dbraw/zinc/77/93/05/1440779305.db2.gz IMTPCWPLKKFVKM-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCC1 ZINC001755200552 1440779306 /nfs/dbraw/zinc/77/93/06/1440779306.db2.gz IMTPCWPLKKFVKM-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCC1 ZINC001755200552 1440779307 /nfs/dbraw/zinc/77/93/07/1440779307.db2.gz IMTPCWPLKKFVKM-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP C[C@@H](F)CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001755208794 1440782542 /nfs/dbraw/zinc/78/25/42/1440782542.db2.gz AZPNFAULMLHEJR-VQIMIIECSA-N 2 1 349.494 3.033 20 0 EGADMP CCCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001755300684 1440808377 /nfs/dbraw/zinc/80/83/77/1440808377.db2.gz VWLMPHMDRBWOBZ-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755300684 1440808378 /nfs/dbraw/zinc/80/83/78/1440808378.db2.gz VWLMPHMDRBWOBZ-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755300684 1440808379 /nfs/dbraw/zinc/80/83/79/1440808379.db2.gz VWLMPHMDRBWOBZ-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(F)c1)[NH+]1CCCCCC1 ZINC001755320111 1440818081 /nfs/dbraw/zinc/81/80/81/1440818081.db2.gz NTBJJAMMGVIRQA-DLBZAZTESA-N 2 1 349.494 3.027 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001755326100 1440821865 /nfs/dbraw/zinc/82/18/65/1440821865.db2.gz JCQMPWBLUHJZTG-KGLIPLIRSA-N 2 1 348.878 3.043 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001755326100 1440821866 /nfs/dbraw/zinc/82/18/66/1440821866.db2.gz JCQMPWBLUHJZTG-KGLIPLIRSA-N 2 1 348.878 3.043 20 0 EGADMP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@H+](C)CC1CCCCC1 ZINC001755329337 1440823756 /nfs/dbraw/zinc/82/37/56/1440823756.db2.gz YPJLAPUFJDHSHU-FXAWDEMLSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@@H+](C)CC1CCCCC1 ZINC001755329337 1440823757 /nfs/dbraw/zinc/82/37/57/1440823757.db2.gz YPJLAPUFJDHSHU-FXAWDEMLSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC001755351002 1440827859 /nfs/dbraw/zinc/82/78/59/1440827859.db2.gz PYHUVLMDVOVXJO-KRWDZBQOSA-N 2 1 335.536 3.070 20 0 EGADMP CC(C)=CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC001755353587 1440828542 /nfs/dbraw/zinc/82/85/42/1440828542.db2.gz PZUDQVIVFXLZAQ-ROUUACIJSA-N 2 1 335.536 3.092 20 0 EGADMP CC[C@H](C)C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCCC1 ZINC001755354358 1440828909 /nfs/dbraw/zinc/82/89/09/1440828909.db2.gz KOQLSSAWKUMXDY-KRWDZBQOSA-N 2 1 348.535 3.461 20 0 EGADMP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001755366336 1440834571 /nfs/dbraw/zinc/83/45/71/1440834571.db2.gz PJWCIXUMOIMCJZ-LJQANCHMSA-N 2 1 337.552 3.412 20 0 EGADMP CCC[NH+]1CCCCC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001755366336 1440834572 /nfs/dbraw/zinc/83/45/72/1440834572.db2.gz PJWCIXUMOIMCJZ-LJQANCHMSA-N 2 1 337.552 3.412 20 0 EGADMP CCC[NH+]1CCCCC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001755366336 1440834573 /nfs/dbraw/zinc/83/45/73/1440834573.db2.gz PJWCIXUMOIMCJZ-LJQANCHMSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001755367537 1440835385 /nfs/dbraw/zinc/83/53/85/1440835385.db2.gz HXYZNBAPJAXGFO-RBUKOAKNSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001755367537 1440835386 /nfs/dbraw/zinc/83/53/86/1440835386.db2.gz HXYZNBAPJAXGFO-RBUKOAKNSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001755367537 1440835387 /nfs/dbraw/zinc/83/53/87/1440835387.db2.gz HXYZNBAPJAXGFO-RBUKOAKNSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001755379972 1440839214 /nfs/dbraw/zinc/83/92/14/1440839214.db2.gz WRHCVDPLXHAJLY-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC001755411308 1440846216 /nfs/dbraw/zinc/84/62/16/1440846216.db2.gz BNDLRZIHNVCJKI-MOPGFXCFSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC001755411308 1440846217 /nfs/dbraw/zinc/84/62/17/1440846217.db2.gz BNDLRZIHNVCJKI-MOPGFXCFSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC001755411308 1440846218 /nfs/dbraw/zinc/84/62/18/1440846218.db2.gz BNDLRZIHNVCJKI-MOPGFXCFSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001755414020 1440847885 /nfs/dbraw/zinc/84/78/85/1440847885.db2.gz NYCCXIOFFPABDX-ROUUACIJSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC2CC3(CCC3)C2)CC1(C)C ZINC001755415264 1440848215 /nfs/dbraw/zinc/84/82/15/1440848215.db2.gz HHYSZDNJQWJTDD-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)CC1(C)C ZINC001755415264 1440848216 /nfs/dbraw/zinc/84/82/16/1440848216.db2.gz HHYSZDNJQWJTDD-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)CC1(C)C ZINC001755415264 1440848217 /nfs/dbraw/zinc/84/82/17/1440848217.db2.gz HHYSZDNJQWJTDD-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CCC[NH+]([C@H](C)c1ccccc1)C2 ZINC001755458649 1440856718 /nfs/dbraw/zinc/85/67/18/1440856718.db2.gz ONMKQIDIQRKMOI-GOSISDBHSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CCC[N@@H+]([C@H](C)c1ccccc1)C2 ZINC001755458649 1440856719 /nfs/dbraw/zinc/85/67/19/1440856719.db2.gz ONMKQIDIQRKMOI-GOSISDBHSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CCC[N@H+]([C@H](C)c1ccccc1)C2 ZINC001755458649 1440856720 /nfs/dbraw/zinc/85/67/20/1440856720.db2.gz ONMKQIDIQRKMOI-GOSISDBHSA-N 2 1 343.515 3.014 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)C1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001755536186 1440869497 /nfs/dbraw/zinc/86/94/97/1440869497.db2.gz JUVALFCWIBLBDC-NQIIRXRSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@@H](C)C[NH+](C)C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001755536186 1440869498 /nfs/dbraw/zinc/86/94/98/1440869498.db2.gz JUVALFCWIBLBDC-NQIIRXRSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@@H](C)C[NH+](C)C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001755536186 1440869499 /nfs/dbraw/zinc/86/94/99/1440869499.db2.gz JUVALFCWIBLBDC-NQIIRXRSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[C@@H](CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)[NH2+]C/C=C/Cl ZINC001755551278 1440872139 /nfs/dbraw/zinc/87/21/39/1440872139.db2.gz UTFWMRHYKXTILD-JSMQFAGNSA-N 2 1 343.943 3.122 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C[C@H](C2CC2)N(C)C(=O)C[N@H+](C)C(C)C)c1 ZINC001755573752 1440877564 /nfs/dbraw/zinc/87/75/64/1440877564.db2.gz TXYLNZWDQJXICP-YLJYHZDGSA-N 2 1 345.531 3.223 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCC2CCCC2)CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001755685934 1440895998 /nfs/dbraw/zinc/89/59/98/1440895998.db2.gz CWWWTLZRIJVCCA-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCCC2CCC2)CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001755687008 1440896126 /nfs/dbraw/zinc/89/61/26/1440896126.db2.gz RSBRZLUVAQKRNT-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001755701249 1440900262 /nfs/dbraw/zinc/90/02/62/1440900262.db2.gz JTBJXWHVTQIZCL-SQGPQFPESA-N 2 1 346.519 3.310 20 0 EGADMP CCCC[N@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001755701249 1440900263 /nfs/dbraw/zinc/90/02/63/1440900263.db2.gz JTBJXWHVTQIZCL-SQGPQFPESA-N 2 1 346.519 3.310 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1CC1CCCCC1 ZINC001755716490 1440905403 /nfs/dbraw/zinc/90/54/03/1440905403.db2.gz AGRIRZOEVHTSOV-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[N@@H+](C)CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001755815389 1440923187 /nfs/dbraw/zinc/92/31/87/1440923187.db2.gz JRXPPJKSEHFHHN-HDICACEKSA-N 2 1 325.541 3.074 20 0 EGADMP CC(C)CC[NH+](C)CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001755815389 1440923188 /nfs/dbraw/zinc/92/31/88/1440923188.db2.gz JRXPPJKSEHFHHN-HDICACEKSA-N 2 1 325.541 3.074 20 0 EGADMP CC(C)CC[NH+](C)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001755815389 1440923189 /nfs/dbraw/zinc/92/31/89/1440923189.db2.gz JRXPPJKSEHFHHN-HDICACEKSA-N 2 1 325.541 3.074 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N(C)C1CC([NH2+]CC2CCC2)C1)c1ccccc1 ZINC001755863879 1440937338 /nfs/dbraw/zinc/93/73/38/1440937338.db2.gz OWGUFHLHTFXJKM-SOAGJPPSSA-N 2 1 343.515 3.059 20 0 EGADMP Cc1c[nH+]c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)cc1C ZINC001164859505 721008866 /nfs/dbraw/zinc/00/88/66/721008866.db2.gz IUFJJFPGRGHEKI-INIZCTEOSA-N 2 1 327.476 3.316 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC000368521068 168367264 /nfs/dbraw/zinc/36/72/64/168367264.db2.gz BHVBCUPSBGILKP-JOCHJYFZSA-N 2 1 343.559 3.357 20 0 EGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)CCS2 ZINC000187050531 236104107 /nfs/dbraw/zinc/10/41/07/236104107.db2.gz CRAOXUHVXQSLPW-SFHVURJKSA-N 2 1 334.529 3.277 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1Br ZINC000271847147 201247387 /nfs/dbraw/zinc/24/73/87/201247387.db2.gz IBDPWUMWMQVYJL-GFCCVEGCSA-N 2 1 339.277 3.370 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCCc2ccc3c(c2)CCO3)cn1 ZINC000193272597 240086713 /nfs/dbraw/zinc/08/67/13/240086713.db2.gz IJNZYUBDTOMMPK-UHFFFAOYSA-N 2 1 348.450 3.233 20 0 EGADMP Cc1nnc([C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000069566164 203019938 /nfs/dbraw/zinc/01/99/38/203019938.db2.gz ALKZNIPRWXVQKG-OAHLLOKOSA-N 2 1 328.460 3.283 20 0 EGADMP Cc1nnc([C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000069566164 203019941 /nfs/dbraw/zinc/01/99/41/203019941.db2.gz ALKZNIPRWXVQKG-OAHLLOKOSA-N 2 1 328.460 3.283 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000072858421 203248845 /nfs/dbraw/zinc/24/88/45/203248845.db2.gz MKROMCDKEDFFAQ-KRWDZBQOSA-N 2 1 339.483 3.442 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000072858421 203248848 /nfs/dbraw/zinc/24/88/48/203248848.db2.gz MKROMCDKEDFFAQ-KRWDZBQOSA-N 2 1 339.483 3.442 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000072858421 203248850 /nfs/dbraw/zinc/24/88/50/203248850.db2.gz MKROMCDKEDFFAQ-KRWDZBQOSA-N 2 1 339.483 3.442 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC000072955695 203251318 /nfs/dbraw/zinc/25/13/18/203251318.db2.gz KIHODMDSUOXBAI-QGZVFWFLSA-N 2 1 343.515 3.019 20 0 EGADMP CCN(C(=O)[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000358683066 284211761 /nfs/dbraw/zinc/21/17/61/284211761.db2.gz CUXRDNGOCCSQFU-BWPNAZKDSA-N 2 1 343.515 3.059 20 0 EGADMP COc1ccc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1OC(F)F ZINC000104098824 204096850 /nfs/dbraw/zinc/09/68/50/204096850.db2.gz NMYPUXFVCKQMGD-CQSZACIVSA-N 2 1 328.403 3.070 20 0 EGADMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC(F)F ZINC000104098824 204096852 /nfs/dbraw/zinc/09/68/52/204096852.db2.gz NMYPUXFVCKQMGD-CQSZACIVSA-N 2 1 328.403 3.070 20 0 EGADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC(F)F ZINC000104098824 204096855 /nfs/dbraw/zinc/09/68/55/204096855.db2.gz NMYPUXFVCKQMGD-CQSZACIVSA-N 2 1 328.403 3.070 20 0 EGADMP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)ccc1OC(C)C ZINC000105443800 204146296 /nfs/dbraw/zinc/14/62/96/204146296.db2.gz DCECMFQNRQXCEM-HNNXBMFYSA-N 2 1 331.460 3.413 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000109787459 204291783 /nfs/dbraw/zinc/29/17/83/204291783.db2.gz SPCJBRIBJNQBHQ-UHFFFAOYSA-N 2 1 345.487 3.024 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000109787459 204291784 /nfs/dbraw/zinc/29/17/84/204291784.db2.gz SPCJBRIBJNQBHQ-UHFFFAOYSA-N 2 1 345.487 3.024 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000128482952 205149147 /nfs/dbraw/zinc/14/91/47/205149147.db2.gz ZUAGGKGEYDPUKJ-NHCUHLMSSA-N 2 1 329.532 3.015 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1 ZINC000354717566 284354384 /nfs/dbraw/zinc/35/43/84/284354384.db2.gz MDSRDIBBFXHIJR-HXUWFJFHSA-N 2 1 345.531 3.265 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cnc2ccsc2c1 ZINC000133069928 205355340 /nfs/dbraw/zinc/35/53/40/205355340.db2.gz QFLHJAGTTAOPAM-HUUCEWRRSA-N 2 1 345.512 3.448 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000264153361 246117169 /nfs/dbraw/zinc/11/71/69/246117169.db2.gz ZXIOJXMRGQATIE-QUCCMNQESA-N 2 1 345.531 3.306 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccncc3)cc2)CC1 ZINC000156465720 206080141 /nfs/dbraw/zinc/08/01/41/206080141.db2.gz DPRKGKYBFUWGIS-SFHVURJKSA-N 2 1 338.499 3.070 20 0 EGADMP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000158779176 206210392 /nfs/dbraw/zinc/21/03/92/206210392.db2.gz ZWZCNNJZWFIKEG-IRXDYDNUSA-N 2 1 332.517 3.225 20 0 EGADMP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000158779176 206210395 /nfs/dbraw/zinc/21/03/95/206210395.db2.gz ZWZCNNJZWFIKEG-IRXDYDNUSA-N 2 1 332.517 3.225 20 0 EGADMP CC(=O)NC1CCC([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000161797809 206371244 /nfs/dbraw/zinc/37/12/44/206371244.db2.gz WLRTUGPXERJNQA-UHFFFAOYSA-N 2 1 331.504 3.064 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000161862898 206373941 /nfs/dbraw/zinc/37/39/41/206373941.db2.gz LLRORPCVIYKHJQ-UHFFFAOYSA-N 2 1 326.488 3.178 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000161862898 206373944 /nfs/dbraw/zinc/37/39/44/206373944.db2.gz LLRORPCVIYKHJQ-UHFFFAOYSA-N 2 1 326.488 3.178 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NCCCCn1cc[nH+]c1C)c1ccccc1 ZINC000266118343 248108909 /nfs/dbraw/zinc/10/89/09/248108909.db2.gz XBPQMWVLYXKHCV-LJQANCHMSA-N 2 1 342.487 3.171 20 0 EGADMP CC(C)n1cc(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nn1 ZINC000377543235 169039783 /nfs/dbraw/zinc/03/97/83/169039783.db2.gz QGOGUMXGVKQOSX-QGZVFWFLSA-N 2 1 333.524 3.336 20 0 EGADMP C[C@@H](CC[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000377620564 169049442 /nfs/dbraw/zinc/04/94/42/169049442.db2.gz FCLVEMRYLJFHPB-RXVVDRJESA-N 2 1 329.532 3.281 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000268790502 252241325 /nfs/dbraw/zinc/24/13/25/252241325.db2.gz GHHPHIRKQRLCQG-CQSZACIVSA-N 2 1 329.448 3.072 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000268838721 252287364 /nfs/dbraw/zinc/28/73/64/252287364.db2.gz BVWFPIMIFINUIA-COPCDDAFSA-N 2 1 338.495 3.233 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000268838721 252287366 /nfs/dbraw/zinc/28/73/66/252287366.db2.gz BVWFPIMIFINUIA-COPCDDAFSA-N 2 1 338.495 3.233 20 0 EGADMP COc1c(Br)cccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000187119500 533384794 /nfs/dbraw/zinc/38/47/94/533384794.db2.gz PNVZPZAOHCUNRB-GFCCVEGCSA-N 2 1 339.277 3.032 20 0 EGADMP COc1c(Br)cccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000187119500 533384796 /nfs/dbraw/zinc/38/47/96/533384796.db2.gz PNVZPZAOHCUNRB-GFCCVEGCSA-N 2 1 339.277 3.032 20 0 EGADMP C[C@@H]1CCC[C@@](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)([NH+](C)C)C1 ZINC000298257545 132388387 /nfs/dbraw/zinc/38/83/87/132388387.db2.gz FEMFSMOYFAKSAX-YLJYHZDGSA-N 3 1 330.520 3.151 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000237527236 141006683 /nfs/dbraw/zinc/00/66/83/141006683.db2.gz JZQRZKTZKYGKNO-JXFKEZNVSA-N 2 1 329.488 3.389 20 0 EGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000246861270 141039807 /nfs/dbraw/zinc/03/98/07/141039807.db2.gz CALSXNQYYLMLKY-IXDOHACOSA-N 2 1 347.503 3.185 20 0 EGADMP COC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000246870634 141040928 /nfs/dbraw/zinc/04/09/28/141040928.db2.gz DJPDKVUHEZDTQQ-FUHIMQAGSA-N 2 1 334.504 3.056 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(OC)c2)[C@@H](C)C1 ZINC000247004550 141048518 /nfs/dbraw/zinc/04/85/18/141048518.db2.gz LVYGDHHXJSYDIX-HKUYNNGSSA-N 2 1 334.504 3.230 20 0 EGADMP CCN1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000344477571 141160859 /nfs/dbraw/zinc/16/08/59/141160859.db2.gz HGAHQFWBDBXCGC-LAUBAEHRSA-N 2 1 341.499 3.341 20 0 EGADMP Cc1cccc(C)c1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347918119 141216913 /nfs/dbraw/zinc/21/69/13/141216913.db2.gz AYFXDNOTBCTCDA-QZTJIDSGSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1cccc(C)c1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347918119 141216914 /nfs/dbraw/zinc/21/69/14/141216914.db2.gz AYFXDNOTBCTCDA-QZTJIDSGSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1cc(F)ccc1-c1ccc(CN(C)C2CC[NH+](CCO)CC2)o1 ZINC000353349529 141292692 /nfs/dbraw/zinc/29/26/92/141292692.db2.gz JWUUGOZVVKDSBU-UHFFFAOYSA-N 2 1 346.446 3.283 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000353472400 141304324 /nfs/dbraw/zinc/30/43/24/141304324.db2.gz UDCVSGPXXKDRRA-IPELMVKDSA-N 2 1 329.488 3.388 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)Cc2ccccc2)C1 ZINC000354602811 141313002 /nfs/dbraw/zinc/31/30/02/141313002.db2.gz MCLQRIXXUSBTIZ-UXHICEINSA-N 2 1 345.531 3.087 20 0 EGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H](CC)[N@H+](C)Cc2ccccc2)C1 ZINC000354602811 141313004 /nfs/dbraw/zinc/31/30/04/141313004.db2.gz MCLQRIXXUSBTIZ-UXHICEINSA-N 2 1 345.531 3.087 20 0 EGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H](CC)[N@@H+](C)Cc2ccccc2)C1 ZINC000354602811 141313006 /nfs/dbraw/zinc/31/30/06/141313006.db2.gz MCLQRIXXUSBTIZ-UXHICEINSA-N 2 1 345.531 3.087 20 0 EGADMP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000359634293 141392267 /nfs/dbraw/zinc/39/22/67/141392267.db2.gz NBAIZJVTUCGJCM-WBVHZDCISA-N 2 1 344.421 3.334 20 0 EGADMP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000359634293 141392271 /nfs/dbraw/zinc/39/22/71/141392271.db2.gz NBAIZJVTUCGJCM-WBVHZDCISA-N 2 1 344.421 3.334 20 0 EGADMP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173615732 144045325 /nfs/dbraw/zinc/04/53/25/144045325.db2.gz SYJLQYJYTAGLSP-SJORKVTESA-N 2 1 331.504 3.023 20 0 EGADMP CCOC(=O)CCC[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000184744147 144099028 /nfs/dbraw/zinc/09/90/28/144099028.db2.gz LRPMZUDNLSMKPM-XEWABKELSA-N 2 1 332.488 3.076 20 0 EGADMP CCN(CC(=O)NCCC[N@@H+](C)C(C)C)Cc1ccccc1Cl ZINC000351357579 144262969 /nfs/dbraw/zinc/26/29/69/144262969.db2.gz XPCMLZNAMDRGBX-UHFFFAOYSA-N 2 1 339.911 3.008 20 0 EGADMP Cc1nc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000351488463 144268675 /nfs/dbraw/zinc/26/86/75/144268675.db2.gz FRRJBBFNNXAKKY-CWRNSKLLSA-N 2 1 331.847 3.473 20 0 EGADMP Cc1nc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000351488463 144268676 /nfs/dbraw/zinc/26/86/76/144268676.db2.gz FRRJBBFNNXAKKY-CWRNSKLLSA-N 2 1 331.847 3.473 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364315498 144399328 /nfs/dbraw/zinc/39/93/28/144399328.db2.gz PNOFUVODASRKKM-UXHICEINSA-N 2 1 337.467 3.474 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364315498 144399330 /nfs/dbraw/zinc/39/93/30/144399330.db2.gz PNOFUVODASRKKM-UXHICEINSA-N 2 1 337.467 3.474 20 0 EGADMP CCCn1c(C)nnc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000120613486 152287961 /nfs/dbraw/zinc/28/79/61/152287961.db2.gz PSWWHZVWCMTJAL-UHFFFAOYSA-N 2 1 333.524 3.085 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](CNCc2ccc(N(C)C(C)C)nc2)C1 ZINC000191452608 153197505 /nfs/dbraw/zinc/19/75/05/153197505.db2.gz BYKQQXGIGKPXQD-LJQANCHMSA-N 2 1 332.536 3.384 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000191452608 153197510 /nfs/dbraw/zinc/19/75/10/153197510.db2.gz BYKQQXGIGKPXQD-LJQANCHMSA-N 2 1 332.536 3.384 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000191452608 153197512 /nfs/dbraw/zinc/19/75/12/153197512.db2.gz BYKQQXGIGKPXQD-LJQANCHMSA-N 2 1 332.536 3.384 20 0 EGADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CCCC1 ZINC000195132829 153382083 /nfs/dbraw/zinc/38/20/83/153382083.db2.gz LNLIHVHOUIXGGQ-UHFFFAOYSA-N 2 1 347.528 3.048 20 0 EGADMP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]2CCCO[C@@H]21 ZINC000195137201 153382668 /nfs/dbraw/zinc/38/26/68/153382668.db2.gz FTEMRRXPYBOORZ-NMLBUPMWSA-N 2 1 328.500 3.302 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337390204 154328674 /nfs/dbraw/zinc/32/86/74/154328674.db2.gz NCNSPBCWIOUUNH-IRXDYDNUSA-N 2 1 334.504 3.265 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccc2c[nH+]cn2c1 ZINC000339948172 155046814 /nfs/dbraw/zinc/04/68/14/155046814.db2.gz NHLKTLPNPJLOQI-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc(Cl)c1OC ZINC000346818581 156150789 /nfs/dbraw/zinc/15/07/89/156150789.db2.gz GVQFNKOQDYJGMX-LZWOXQAQSA-N 2 1 338.879 3.307 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc(Cl)c1OC ZINC000346818581 156150795 /nfs/dbraw/zinc/15/07/95/156150795.db2.gz GVQFNKOQDYJGMX-LZWOXQAQSA-N 2 1 338.879 3.307 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1OCC(C)C ZINC000346848902 156163397 /nfs/dbraw/zinc/16/33/97/156163397.db2.gz FOMFSRQGRWTBGJ-KSZLIROESA-N 2 1 332.488 3.289 20 0 EGADMP FC(F)(F)c1ccccc1[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346980636 156227969 /nfs/dbraw/zinc/22/79/69/156227969.db2.gz MFEKUROZOGPXIU-MRXNPFEDSA-N 2 1 328.378 3.078 20 0 EGADMP FC(F)(F)c1ccccc1[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346980636 156227970 /nfs/dbraw/zinc/22/79/70/156227970.db2.gz MFEKUROZOGPXIU-MRXNPFEDSA-N 2 1 328.378 3.078 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cnc2n[nH]c(C)c2c1 ZINC000348971230 156304711 /nfs/dbraw/zinc/30/47/11/156304711.db2.gz XXVNSQYQUAZXHZ-UHFFFAOYSA-N 2 1 337.471 3.350 20 0 EGADMP CC[N@@H+](Cc1cc(C(=O)OC)c(C)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000349016515 156319946 /nfs/dbraw/zinc/31/99/46/156319946.db2.gz ZQMLEWJNDBNQBR-UHFFFAOYSA-N 2 1 344.455 3.458 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(C(C)C)s1 ZINC000349064729 156341093 /nfs/dbraw/zinc/34/10/93/156341093.db2.gz VWWDSCHKQSBPSN-INIZCTEOSA-N 2 1 338.565 3.114 20 0 EGADMP C[N@H+](C[C@@H](O)Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480685 162233835 /nfs/dbraw/zinc/23/38/35/162233835.db2.gz JWJPOCVHMYRQRM-QFIPXVFZSA-N 2 1 338.495 3.186 20 0 EGADMP C[N@@H+](C[C@@H](O)Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480685 162233837 /nfs/dbraw/zinc/23/38/37/162233837.db2.gz JWJPOCVHMYRQRM-QFIPXVFZSA-N 2 1 338.495 3.186 20 0 EGADMP COC[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000131140114 162391849 /nfs/dbraw/zinc/39/18/49/162391849.db2.gz IHMQGAJMJUYQIK-MAZHCROVSA-N 2 1 330.394 3.465 20 0 EGADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000131221989 162394309 /nfs/dbraw/zinc/39/43/09/162394309.db2.gz YORVKLREIIUYFO-YOEHRIQHSA-N 2 1 333.863 3.062 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCC[C@@H]5OCC[C@@H]54)[C@H]3C2)cc1 ZINC000248411334 163001635 /nfs/dbraw/zinc/00/16/35/163001635.db2.gz ICQYBUFWEZXHNB-NALHQMNBSA-N 2 1 340.511 3.444 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248411407 163001785 /nfs/dbraw/zinc/00/17/85/163001785.db2.gz ZBOSYAZLIOXJAW-BHDDXSALSA-N 3 1 341.543 3.219 20 0 EGADMP CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccn1 ZINC000248442082 163005652 /nfs/dbraw/zinc/00/56/52/163005652.db2.gz KNTYBRSABASAHA-UXHICEINSA-N 2 1 339.483 3.279 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000248463317 163007733 /nfs/dbraw/zinc/00/77/33/163007733.db2.gz YWICFHXMHFEANG-OXQOHEQNSA-N 2 1 340.467 3.113 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000337186879 163156750 /nfs/dbraw/zinc/15/67/50/163156750.db2.gz PQWURVJPHPXSPD-IPMKNSEASA-N 2 1 340.552 3.259 20 0 EGADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000337245615 163178291 /nfs/dbraw/zinc/17/82/91/163178291.db2.gz HHWUZQDQIZNQFK-RCBBPTIPSA-N 2 1 330.394 3.011 20 0 EGADMP CCOC(=O)c1coc(C[NH2+]Cc2cccc(C[N@H+](C)CC)c2)c1 ZINC000354331792 166004547 /nfs/dbraw/zinc/00/45/47/166004547.db2.gz SFWSGJPJYMURTA-UHFFFAOYSA-N 2 1 330.428 3.198 20 0 EGADMP CCOC(=O)c1coc(C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)c1 ZINC000354331792 166004549 /nfs/dbraw/zinc/00/45/49/166004549.db2.gz SFWSGJPJYMURTA-UHFFFAOYSA-N 2 1 330.428 3.198 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338439882 163226482 /nfs/dbraw/zinc/22/64/82/163226482.db2.gz ZPYMSHITESWNKV-QGZVFWFLSA-N 2 1 326.488 3.217 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000338924115 163387843 /nfs/dbraw/zinc/38/78/43/163387843.db2.gz GLEKZAUNVRIJMZ-UHFFFAOYSA-N 2 1 343.515 3.133 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC000343761878 164029177 /nfs/dbraw/zinc/02/91/77/164029177.db2.gz ILZUGPYBWZIAOK-FXAWDEMLSA-N 2 1 327.516 3.428 20 0 EGADMP C[C@@H](C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000343775029 164031624 /nfs/dbraw/zinc/03/16/24/164031624.db2.gz TZGYFJKHVOGKGD-JNIAIEOXSA-N 2 1 343.515 3.027 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000343899274 164061375 /nfs/dbraw/zinc/06/13/75/164061375.db2.gz ADWRODMGJHUYQX-QGZVFWFLSA-N 2 1 349.862 3.193 20 0 EGADMP CCO[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1(CC)CC ZINC000344163277 164117594 /nfs/dbraw/zinc/11/75/94/164117594.db2.gz HIKYDNFSCQJVEF-MSOLQXFVSA-N 2 1 338.536 3.205 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1(CC)CC ZINC000344163279 164117673 /nfs/dbraw/zinc/11/76/73/164117673.db2.gz HIKYDNFSCQJVEF-QZTJIDSGSA-N 2 1 338.536 3.205 20 0 EGADMP CC[NH+](CC)CCCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000346121166 164341957 /nfs/dbraw/zinc/34/19/57/164341957.db2.gz FCAPRWCAWXVMOX-FQEVSTJZSA-N 2 1 345.531 3.279 20 0 EGADMP CCCn1cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000350224660 165020420 /nfs/dbraw/zinc/02/04/20/165020420.db2.gz NWNVSWMEVZWFPN-UHFFFAOYSA-N 2 1 327.476 3.037 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCSc2ccccc2F)C1 ZINC000350283898 165025177 /nfs/dbraw/zinc/02/51/77/165025177.db2.gz ARHAMCNXHMBXAC-INIZCTEOSA-N 2 1 340.508 3.351 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000350369734 165038364 /nfs/dbraw/zinc/03/83/64/165038364.db2.gz SREPWQIAPPBKGJ-INIZCTEOSA-N 2 1 349.500 3.336 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000350369734 165038367 /nfs/dbraw/zinc/03/83/67/165038367.db2.gz SREPWQIAPPBKGJ-INIZCTEOSA-N 2 1 349.500 3.336 20 0 EGADMP CC(C)Oc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000355203932 166132898 /nfs/dbraw/zinc/13/28/98/166132898.db2.gz GDDLRSYIZHLAHW-YZGWKJHDSA-N 2 1 332.488 3.157 20 0 EGADMP CC(C)Oc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000355203932 166132900 /nfs/dbraw/zinc/13/29/00/166132900.db2.gz GDDLRSYIZHLAHW-YZGWKJHDSA-N 2 1 332.488 3.157 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2cc(F)ccc2o1 ZINC000355216234 166136906 /nfs/dbraw/zinc/13/69/06/166136906.db2.gz UPGWLHBWLLLSAF-SZVBFZGTSA-N 2 1 332.419 3.255 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2cc(F)ccc2o1 ZINC000355216234 166136908 /nfs/dbraw/zinc/13/69/08/166136908.db2.gz UPGWLHBWLLLSAF-SZVBFZGTSA-N 2 1 332.419 3.255 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CCOCC4CC4)C3)C2)cc1 ZINC000355777637 166305456 /nfs/dbraw/zinc/30/54/56/166305456.db2.gz CISONZZLUZZMDY-NRFANRHFSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CCOCC4CC4)C3)C2)cc1 ZINC000355777637 166305461 /nfs/dbraw/zinc/30/54/61/166305461.db2.gz CISONZZLUZZMDY-NRFANRHFSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CCOCC4CC4)C3)C2)cc1 ZINC000355777637 166305463 /nfs/dbraw/zinc/30/54/63/166305463.db2.gz CISONZZLUZZMDY-NRFANRHFSA-N 2 1 328.500 3.401 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000356046093 166385117 /nfs/dbraw/zinc/38/51/17/166385117.db2.gz SBOORKNYWSAIFV-WOJBJXKFSA-N 2 1 345.531 3.276 20 0 EGADMP CC[C@@H](C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)[NH+](C)C ZINC000359168554 167086542 /nfs/dbraw/zinc/08/65/42/167086542.db2.gz LZAFEOKEXDZWMB-QKLQHJQFSA-N 2 1 345.531 3.121 20 0 EGADMP C[C@H]1C[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000359191853 167092095 /nfs/dbraw/zinc/09/20/95/167092095.db2.gz OMWYKZXLFFXHRB-GHTZIAJQSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H]1C[C@H]([NH+](C)CCC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000359191853 167092098 /nfs/dbraw/zinc/09/20/98/167092098.db2.gz OMWYKZXLFFXHRB-GHTZIAJQSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H]1C[C@H]([NH+](C)CCC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000359191853 167092099 /nfs/dbraw/zinc/09/20/99/167092099.db2.gz OMWYKZXLFFXHRB-GHTZIAJQSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H]1C[C@H]([N@H+](C)CCC2CC[NH2+]CC2)CC[NH+]1Cc1ccccc1 ZINC000359191853 167092100 /nfs/dbraw/zinc/09/21/00/167092100.db2.gz OMWYKZXLFFXHRB-GHTZIAJQSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H]1C[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)CC[NH+]1Cc1ccccc1 ZINC000359191853 167092103 /nfs/dbraw/zinc/09/21/03/167092103.db2.gz OMWYKZXLFFXHRB-GHTZIAJQSA-N 3 1 329.532 3.361 20 0 EGADMP Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000359232271 167102369 /nfs/dbraw/zinc/10/23/69/167102369.db2.gz IVEPIKFKXYEQFY-DENIHFKCSA-N 2 1 336.479 3.339 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000359298274 167118265 /nfs/dbraw/zinc/11/82/65/167118265.db2.gz ZTWLSYLACIHOSY-UHFFFAOYSA-N 2 1 343.446 3.314 20 0 EGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000359552740 167190857 /nfs/dbraw/zinc/19/08/57/167190857.db2.gz GTASMHAPVKWJCC-KVSKMBFKSA-N 2 1 343.471 3.128 20 0 EGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2nnc3n2CCCCC3)CC1 ZINC000359878891 167255708 /nfs/dbraw/zinc/25/57/08/167255708.db2.gz SHFIZFSTPMZYDE-UHFFFAOYSA-N 2 1 347.551 3.339 20 0 EGADMP C[N@H+]1CCCC[C@H]1CCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000360087898 167264569 /nfs/dbraw/zinc/26/45/69/167264569.db2.gz JTZIQVODQGFJSV-GJZGRUSLSA-N 2 1 344.425 3.413 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000360087898 167264573 /nfs/dbraw/zinc/26/45/73/167264573.db2.gz JTZIQVODQGFJSV-GJZGRUSLSA-N 2 1 344.425 3.413 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000360087898 167264574 /nfs/dbraw/zinc/26/45/74/167264574.db2.gz JTZIQVODQGFJSV-GJZGRUSLSA-N 2 1 344.425 3.413 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000360629418 167374332 /nfs/dbraw/zinc/37/43/32/167374332.db2.gz MRZYPUHCRKDRPH-LJQANCHMSA-N 2 1 334.479 3.070 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C[C@H]3CC=CCC3)cc2)CC1 ZINC000360710705 167394748 /nfs/dbraw/zinc/39/47/48/167394748.db2.gz GTBFJTMBPDRBNF-IBGZPJMESA-N 2 1 327.516 3.270 20 0 EGADMP CC[C@H](NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(OC(F)F)cc1 ZINC000366218721 168095426 /nfs/dbraw/zinc/09/54/26/168095426.db2.gz MJDYMRKYCBVIEL-UAGQMJEPSA-N 2 1 340.414 3.192 20 0 EGADMP CC[C@H](NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(OC(F)F)cc1 ZINC000366218721 168095428 /nfs/dbraw/zinc/09/54/28/168095428.db2.gz MJDYMRKYCBVIEL-UAGQMJEPSA-N 2 1 340.414 3.192 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c(-c2ccnn2C)c1 ZINC000367341884 168210958 /nfs/dbraw/zinc/21/09/58/168210958.db2.gz IDMMECRDMYGIHY-KRWDZBQOSA-N 2 1 335.455 3.498 20 0 EGADMP COCCn1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cn1 ZINC000367423857 168223211 /nfs/dbraw/zinc/22/32/11/168223211.db2.gz XTRWEZYRQJOHJC-GOSISDBHSA-N 2 1 348.535 3.006 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)ncn2C ZINC000367952970 168287335 /nfs/dbraw/zinc/28/73/35/168287335.db2.gz XJQNTUBSNRJAEY-YJBOKZPZSA-N 2 1 335.455 3.291 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000367952970 168287337 /nfs/dbraw/zinc/28/73/37/168287337.db2.gz XJQNTUBSNRJAEY-YJBOKZPZSA-N 2 1 335.455 3.291 20 0 EGADMP COc1cc2c(cc1OC)C[N@H+](CCCCn1cc[nH+]c1C)CC2 ZINC000179039541 265357416 /nfs/dbraw/zinc/35/74/16/265357416.db2.gz TXSPGZJEWJVXIT-UHFFFAOYSA-N 2 1 329.444 3.047 20 0 EGADMP COc1cc2c(cc1OC)C[N@@H+](CCCCn1cc[nH+]c1C)CC2 ZINC000179039541 265357422 /nfs/dbraw/zinc/35/74/22/265357422.db2.gz TXSPGZJEWJVXIT-UHFFFAOYSA-N 2 1 329.444 3.047 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000273189371 266993532 /nfs/dbraw/zinc/99/35/32/266993532.db2.gz HUUAVXUZTKGJJQ-MRXNPFEDSA-N 2 1 333.520 3.310 20 0 EGADMP CN(c1ccccc1C[N@H+](C)Cc1ccccn1)C1CC[NH+](C)CC1 ZINC000273390613 267033086 /nfs/dbraw/zinc/03/30/86/267033086.db2.gz JQADVCLXEIFRDP-UHFFFAOYSA-N 2 1 338.499 3.244 20 0 EGADMP CN(c1ccccc1C[N@@H+](C)Cc1ccccn1)C1CC[NH+](C)CC1 ZINC000273390613 267033090 /nfs/dbraw/zinc/03/30/90/267033090.db2.gz JQADVCLXEIFRDP-UHFFFAOYSA-N 2 1 338.499 3.244 20 0 EGADMP C[C@@H]([NH2+]Cc1cn(C)nc1C(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274461635 267241057 /nfs/dbraw/zinc/24/10/57/267241057.db2.gz HRMCCLTUATXORC-GDBMZVCRSA-N 2 1 348.441 3.358 20 0 EGADMP C[C@@H]([NH2+]Cc1cn(C)nc1C(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274461635 267241059 /nfs/dbraw/zinc/24/10/59/267241059.db2.gz HRMCCLTUATXORC-GDBMZVCRSA-N 2 1 348.441 3.358 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(Cl)cn3)CC2)nc(C)[nH+]1 ZINC000274748495 267280936 /nfs/dbraw/zinc/28/09/36/267280936.db2.gz BDCNRWBHJFZLOM-CYBMUJFWSA-N 2 1 345.878 3.461 20 0 EGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000274758227 267282316 /nfs/dbraw/zinc/28/23/16/267282316.db2.gz CUJOZDLWFXOVSM-QGZVFWFLSA-N 2 1 328.859 3.317 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000274758227 267282317 /nfs/dbraw/zinc/28/23/17/267282317.db2.gz CUJOZDLWFXOVSM-QGZVFWFLSA-N 2 1 328.859 3.317 20 0 EGADMP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274779558 267285844 /nfs/dbraw/zinc/28/58/44/267285844.db2.gz OSRDNQDHSJNOPU-BWUHRYBWSA-N 2 1 340.511 3.444 20 0 EGADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274966019 267312516 /nfs/dbraw/zinc/31/25/16/267312516.db2.gz XGZBIBVQTTZCGV-HLLBOEOZSA-N 2 1 344.421 3.454 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+]CC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000278450920 268016147 /nfs/dbraw/zinc/01/61/47/268016147.db2.gz LLNAJPAWWRQFQK-UHFFFAOYSA-N 3 1 327.516 3.115 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000360933402 274861660 /nfs/dbraw/zinc/86/16/60/274861660.db2.gz OGOIYRCQFJLKGX-HNNXBMFYSA-N 2 1 338.224 3.370 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(OC(F)F)c1 ZINC000278742836 275270756 /nfs/dbraw/zinc/27/07/56/275270756.db2.gz WTSDZNBWFZLESL-CABCVRRESA-N 2 1 342.430 3.440 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(OC(F)F)c1 ZINC000278742836 275270757 /nfs/dbraw/zinc/27/07/57/275270757.db2.gz WTSDZNBWFZLESL-CABCVRRESA-N 2 1 342.430 3.440 20 0 EGADMP COCCSCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000278924576 275288130 /nfs/dbraw/zinc/28/81/30/275288130.db2.gz VJIWLSRUMRZXLK-MJGOQNOKSA-N 2 1 336.545 3.256 20 0 EGADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000279045746 275298902 /nfs/dbraw/zinc/29/89/02/275298902.db2.gz XOOJKBKGIIGPLR-QWHCGFSZSA-N 2 1 349.862 3.467 20 0 EGADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000264461457 275656708 /nfs/dbraw/zinc/65/67/08/275656708.db2.gz KQUTUZDYFUCYOR-FQEVSTJZSA-N 2 1 343.515 3.033 20 0 EGADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000287259720 276101995 /nfs/dbraw/zinc/10/19/95/276101995.db2.gz CAFCRKDNNGIAKG-GHRYLNIYSA-N 2 1 328.500 3.159 20 0 EGADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000287351012 276110951 /nfs/dbraw/zinc/11/09/51/276110951.db2.gz GULXBPACMPALBV-VNXMGFANSA-N 2 1 342.527 3.428 20 0 EGADMP C[C@@H]1COCC[C@@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000287351032 276110960 /nfs/dbraw/zinc/11/09/60/276110960.db2.gz GUQBWJDZXXOFQU-SJLPKXTDSA-N 2 1 334.479 3.095 20 0 EGADMP C[C@H]1COCC[C@@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000287351030 276110995 /nfs/dbraw/zinc/11/09/95/276110995.db2.gz GUQBWJDZXXOFQU-FUHWJXTLSA-N 2 1 334.479 3.095 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000287607554 276139124 /nfs/dbraw/zinc/13/91/24/276139124.db2.gz SHFOZKRZCQCPSI-KFNAQCHYSA-N 2 1 331.287 3.489 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000287607554 276139125 /nfs/dbraw/zinc/13/91/25/276139125.db2.gz SHFOZKRZCQCPSI-KFNAQCHYSA-N 2 1 331.287 3.489 20 0 EGADMP C[C@H](O)CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000287680709 276146847 /nfs/dbraw/zinc/14/68/47/276146847.db2.gz WFKXUXRXYRZJCS-MJUUVYJYSA-N 2 1 330.516 3.428 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000178005405 276194788 /nfs/dbraw/zinc/19/47/88/276194788.db2.gz PCFJCEVKHCZHQD-HXUWFJFHSA-N 2 1 329.532 3.416 20 0 EGADMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccccc1F ZINC000288544468 276226099 /nfs/dbraw/zinc/22/60/99/276226099.db2.gz LBGUEEQAFPQTKK-OAHLLOKOSA-N 2 1 331.435 3.402 20 0 EGADMP CCN(C(=O)[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000358683075 276300270 /nfs/dbraw/zinc/30/02/70/276300270.db2.gz CUXRDNGOCCSQFU-LFGUQSLTSA-N 2 1 343.515 3.059 20 0 EGADMP Cc1ccncc1CCC[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000289200863 276303652 /nfs/dbraw/zinc/30/36/52/276303652.db2.gz VLHUVHGNEKXWHK-KRWDZBQOSA-N 2 1 333.476 3.312 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Oc2ccccc2)o1 ZINC000289536045 276354282 /nfs/dbraw/zinc/35/42/82/276354282.db2.gz WKCGFLSGXVGCII-UHFFFAOYSA-N 2 1 343.471 3.141 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000362872230 278331856 /nfs/dbraw/zinc/33/18/56/278331856.db2.gz POGMELGPEMQWLL-RBUKOAKNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000362872230 278331857 /nfs/dbraw/zinc/33/18/57/278331857.db2.gz POGMELGPEMQWLL-RBUKOAKNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000362872230 278331858 /nfs/dbraw/zinc/33/18/58/278331858.db2.gz POGMELGPEMQWLL-RBUKOAKNSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)cc1)C1CC1 ZINC000345891876 279235443 /nfs/dbraw/zinc/23/54/43/279235443.db2.gz SUIOCBKLZGNMNK-WOJBJXKFSA-N 2 1 341.499 3.028 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1)C1CC1 ZINC000345891876 279235444 /nfs/dbraw/zinc/23/54/44/279235444.db2.gz SUIOCBKLZGNMNK-WOJBJXKFSA-N 2 1 341.499 3.028 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1)C1CC1 ZINC000345891876 279235445 /nfs/dbraw/zinc/23/54/45/279235445.db2.gz SUIOCBKLZGNMNK-WOJBJXKFSA-N 2 1 341.499 3.028 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2ccsc2S1 ZINC000128335188 280010210 /nfs/dbraw/zinc/01/02/10/280010210.db2.gz UESBWAFWPHIYEU-HOCLYGCPSA-N 2 1 339.574 3.291 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCCCC1 ZINC000358104791 280177970 /nfs/dbraw/zinc/17/79/70/280177970.db2.gz MYKORJOJNPGISE-CMKODMSKSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000236684725 282072336 /nfs/dbraw/zinc/07/23/36/282072336.db2.gz IXZWRXCONJNHLX-QGZVFWFLSA-N 2 1 345.531 3.442 20 0 EGADMP C[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@H+](C2CCC2)C1 ZINC000344769842 300176095 /nfs/dbraw/zinc/17/60/95/300176095.db2.gz IODOKWSCFPRKQW-YLJYHZDGSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+](C2CCC2)C1 ZINC000344769842 300176098 /nfs/dbraw/zinc/17/60/98/300176098.db2.gz IODOKWSCFPRKQW-YLJYHZDGSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC[NH+](C2CCC2)C1 ZINC000344769842 300176099 /nfs/dbraw/zinc/17/60/99/300176099.db2.gz IODOKWSCFPRKQW-YLJYHZDGSA-N 2 1 347.547 3.116 20 0 EGADMP [NH3+]CCC[N@H+](Cc1ccc(Br)cn1)CC1CCCC1 ZINC000352517209 303377782 /nfs/dbraw/zinc/37/77/82/303377782.db2.gz CAOLQOBWAWHFRX-UHFFFAOYSA-N 2 1 326.282 3.185 20 0 EGADMP CC1(C)CCC[N@H+]1CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413866739 309050637 /nfs/dbraw/zinc/05/06/37/309050637.db2.gz UQUOKQKTIZKKJY-UHFFFAOYSA-N 2 1 343.515 3.277 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000414175930 309064986 /nfs/dbraw/zinc/06/49/86/309064986.db2.gz ISZXCTKGJIRMKA-ZWKOTPCHSA-N 3 1 333.520 3.010 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ncc(Br)s1 ZINC000414179050 309065155 /nfs/dbraw/zinc/06/51/55/309065155.db2.gz KZWPQZWCMNTBOZ-GHMZBOCLSA-N 2 1 332.311 3.288 20 0 EGADMP CO[C@@](C)([C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000414227923 309067643 /nfs/dbraw/zinc/06/76/43/309067643.db2.gz LGRVHYPBJQVKRL-UWJYYQICSA-N 2 1 330.516 3.487 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)cc1 ZINC000414258598 309069152 /nfs/dbraw/zinc/06/91/52/309069152.db2.gz MGYFBOHPXRKCBJ-AWEZNQCLSA-N 2 1 349.500 3.045 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCCC[NH+]4CCCC4)[C@H]3C2)cc1 ZINC000248392470 308001811 /nfs/dbraw/zinc/00/18/11/308001811.db2.gz DDTGGCNYURTGLR-FDFHNCONSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCC[NH+]4CCCC4)[C@H]3C2)cc1 ZINC000248392470 308001812 /nfs/dbraw/zinc/00/18/12/308001812.db2.gz DDTGGCNYURTGLR-FDFHNCONSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCC[NH+]4CCCC4)[C@H]3C2)cc1 ZINC000248392470 308001813 /nfs/dbraw/zinc/00/18/13/308001813.db2.gz DDTGGCNYURTGLR-FDFHNCONSA-N 3 1 341.543 3.363 20 0 EGADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000248864633 308013663 /nfs/dbraw/zinc/01/36/63/308013663.db2.gz HJEWXOWKZKAKIC-WMZOPIPTSA-N 2 1 334.479 3.431 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000248896608 308014645 /nfs/dbraw/zinc/01/46/45/308014645.db2.gz LSUNMEBIRRUANY-PKOBYXMFSA-N 2 1 346.515 3.276 20 0 EGADMP COC(=O)[C@@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000248896608 308014646 /nfs/dbraw/zinc/01/46/46/308014646.db2.gz LSUNMEBIRRUANY-PKOBYXMFSA-N 2 1 346.515 3.276 20 0 EGADMP COC(=O)[C@@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000248896608 308014648 /nfs/dbraw/zinc/01/46/48/308014648.db2.gz LSUNMEBIRRUANY-PKOBYXMFSA-N 2 1 346.515 3.276 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292881133 308075698 /nfs/dbraw/zinc/07/56/98/308075698.db2.gz DYAOCFKNHXNMAB-KSSFIOAISA-N 2 1 335.879 3.085 20 0 EGADMP COC(=O)c1cc2cc(CN3CC[C@@]4(C3)CCC[N@@H+](C)C4)ccc2o1 ZINC000293007719 308089318 /nfs/dbraw/zinc/08/93/18/308089318.db2.gz PMNVCOLUKXTPFW-FQEVSTJZSA-N 2 1 342.439 3.137 20 0 EGADMP COC(=O)c1cc2cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)ccc2o1 ZINC000293007719 308089320 /nfs/dbraw/zinc/08/93/20/308089320.db2.gz PMNVCOLUKXTPFW-FQEVSTJZSA-N 2 1 342.439 3.137 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)ccc2o1 ZINC000293007719 308089323 /nfs/dbraw/zinc/08/93/23/308089323.db2.gz PMNVCOLUKXTPFW-FQEVSTJZSA-N 2 1 342.439 3.137 20 0 EGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293764684 308159926 /nfs/dbraw/zinc/15/99/26/308159926.db2.gz ROINLGGXDAWFND-BJLQDIEVSA-N 2 1 345.531 3.039 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)CC1 ZINC000293884948 308171027 /nfs/dbraw/zinc/17/10/27/308171027.db2.gz VOWVESXQNZQYJD-HNNXBMFYSA-N 2 1 331.460 3.168 20 0 EGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294690081 308246155 /nfs/dbraw/zinc/24/61/55/308246155.db2.gz AMJONOWPTLZEOS-CSNJMZFVSA-N 2 1 332.488 3.240 20 0 EGADMP CC(C)c1nc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n[nH]1 ZINC000294769534 308254806 /nfs/dbraw/zinc/25/48/06/308254806.db2.gz KAJPOTGITPVURV-DOTOQJQBSA-N 2 1 327.476 3.071 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](Cc1ccccc1)OC ZINC000295864983 308368558 /nfs/dbraw/zinc/36/85/58/308368558.db2.gz CFGRMCHVLISYOD-LJQANCHMSA-N 2 1 329.488 3.415 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](Cc1ccccc1)OC ZINC000295864983 308368560 /nfs/dbraw/zinc/36/85/60/308368560.db2.gz CFGRMCHVLISYOD-LJQANCHMSA-N 2 1 329.488 3.415 20 0 EGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1OCc1ccccc1 ZINC000414658864 309094114 /nfs/dbraw/zinc/09/41/14/309094114.db2.gz KGJMXFZOCJQQBU-LPHOPBHVSA-N 2 1 340.467 3.443 20 0 EGADMP CC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)c1cc2ccccc2o1 ZINC000414695400 309095855 /nfs/dbraw/zinc/09/58/55/309095855.db2.gz UPYAZCWUTYIOBN-HOTGVXAUSA-N 2 1 343.471 3.013 20 0 EGADMP Cc1cccc([C@@H]2CCCCC[N@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)c1 ZINC000414699178 309096048 /nfs/dbraw/zinc/09/60/48/309096048.db2.gz JMRWRXUMMSZNJU-QUCCMNQESA-N 2 1 343.515 3.109 20 0 EGADMP Cc1cccc([C@H]2CCCC[N@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)c1C ZINC000414700381 309096136 /nfs/dbraw/zinc/09/61/36/309096136.db2.gz GGZHAHRQICUXBR-AZUAARDMSA-N 2 1 343.515 3.028 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@@H]([NH3+])C1CC1)C1CCCCC1 ZINC000414707599 309096435 /nfs/dbraw/zinc/09/64/35/309096435.db2.gz ICBXODNKLPELBB-GOSISDBHSA-N 2 1 344.503 3.310 20 0 EGADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2CCC2CCCCC2)C1 ZINC000414716141 309097088 /nfs/dbraw/zinc/09/70/88/309097088.db2.gz ZJTNLISIPDONDF-OALUTQOASA-N 2 1 335.536 3.009 20 0 EGADMP C[C@H]1C[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC[C@H]1[NH3+] ZINC000414661825 309094396 /nfs/dbraw/zinc/09/43/96/309094396.db2.gz QGNVDTLMMYZBOP-MAUKXSAKSA-N 2 1 339.487 3.229 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC[C@H]1[NH3+] ZINC000414661825 309094397 /nfs/dbraw/zinc/09/43/97/309094397.db2.gz QGNVDTLMMYZBOP-MAUKXSAKSA-N 2 1 339.487 3.229 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](CC1CCC1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414718493 309097211 /nfs/dbraw/zinc/09/72/11/309097211.db2.gz ZECHAWQJWIRZHV-IEBWSBKVSA-N 2 1 343.515 3.047 20 0 EGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414738023 309098106 /nfs/dbraw/zinc/09/81/06/309098106.db2.gz AXLVZWAIOMQHCV-JQHSSLGASA-N 2 1 326.488 3.197 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC000414738087 309098200 /nfs/dbraw/zinc/09/82/00/309098200.db2.gz OGISERHNRRNHCU-AYWYSENESA-N 3 1 329.532 3.047 20 0 EGADMP COc1cccc(C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C2CCC(O)CC2)c1 ZINC000414746077 309098559 /nfs/dbraw/zinc/09/85/59/309098559.db2.gz LPLXTHIJIOWLKJ-HSFDUWRESA-N 2 1 346.515 3.189 20 0 EGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc(F)cc2Br)CC[NH2+]1 ZINC000414755999 309099016 /nfs/dbraw/zinc/09/90/16/309099016.db2.gz IPNQISMUOMZLSU-NEPJUHHUSA-N 2 1 329.257 3.408 20 0 EGADMP COc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)c(Cl)c1OC ZINC000297449513 308535032 /nfs/dbraw/zinc/53/50/32/308535032.db2.gz PAISQJQOXWMPAQ-UHFFFAOYSA-N 2 1 338.879 3.116 20 0 EGADMP C[C@@H](O)C[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000414768321 309099606 /nfs/dbraw/zinc/09/96/06/309099606.db2.gz USBJQHPDLCULQZ-KONPQCLYSA-N 2 1 338.923 3.342 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC(C)C ZINC000414779510 309100588 /nfs/dbraw/zinc/10/05/88/309100588.db2.gz KGUMXUYUKKHGEP-MSOLQXFVSA-N 2 1 332.488 3.304 20 0 EGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000414780808 309100651 /nfs/dbraw/zinc/10/06/51/309100651.db2.gz LYQFGIZYRXMZHE-UFYCRDLUSA-N 2 1 328.500 3.184 20 0 EGADMP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC[NH2+]CC2)c1 ZINC000414785002 309100921 /nfs/dbraw/zinc/10/09/21/309100921.db2.gz ILIMTIDXVVLAOE-UHFFFAOYSA-N 2 1 338.480 3.442 20 0 EGADMP c1cnc(Oc2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2)cn1 ZINC000414784595 309100933 /nfs/dbraw/zinc/10/09/33/309100933.db2.gz RMNGMJCIGSVXBB-QZTJIDSGSA-N 2 1 338.455 3.090 20 0 EGADMP Brc1ccsc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784453 309101035 /nfs/dbraw/zinc/10/10/35/309101035.db2.gz RHIAFEPCXREWQN-VXGBXAGGSA-N 2 1 329.307 3.332 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)ccc2Cl)CC12CCOCC2 ZINC000414787139 309101106 /nfs/dbraw/zinc/10/11/06/309101106.db2.gz VAFJTUPYTPFWER-ZDUSSCGKSA-N 2 1 329.271 3.181 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2Cl)CC12CCOCC2 ZINC000414787139 309101107 /nfs/dbraw/zinc/10/11/07/309101107.db2.gz VAFJTUPYTPFWER-ZDUSSCGKSA-N 2 1 329.271 3.181 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414787717 309101122 /nfs/dbraw/zinc/10/11/22/309101122.db2.gz VXLDJJKJICNICF-CABCVRRESA-N 2 1 340.414 3.118 20 0 EGADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)ccc1OCc1ccc(F)cc1 ZINC000414796570 309101922 /nfs/dbraw/zinc/10/19/22/309101922.db2.gz HTIIYBCDAZEKIZ-SFHVURJKSA-N 2 1 344.430 3.240 20 0 EGADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414795649 309101927 /nfs/dbraw/zinc/10/19/27/309101927.db2.gz NJOCCAIFZOULBL-LJQANCHMSA-N 2 1 335.455 3.007 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1OCc1ccccc1 ZINC000414802907 309102375 /nfs/dbraw/zinc/10/23/75/309102375.db2.gz WCYDKRNETMSDJQ-GOSISDBHSA-N 2 1 328.456 3.347 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000414810723 309103008 /nfs/dbraw/zinc/10/30/08/309103008.db2.gz IJIGMEWJOGHTGI-KGLIPLIRSA-N 2 1 325.884 3.473 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000414812690 309103123 /nfs/dbraw/zinc/10/31/23/309103123.db2.gz LIPAZNMQXAUHPN-DZGCQCFKSA-N 2 1 325.884 3.473 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414828244 309104081 /nfs/dbraw/zinc/10/40/81/309104081.db2.gz LXRGVAIGOHKGHM-INIZCTEOSA-N 2 1 346.906 3.291 20 0 EGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOc1ccc(Cl)cc1Br ZINC000420357868 309283754 /nfs/dbraw/zinc/28/37/54/309283754.db2.gz HZOKNXAVMWWVLY-CYBMUJFWSA-N 2 1 349.700 3.444 20 0 EGADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414840502 309104751 /nfs/dbraw/zinc/10/47/51/309104751.db2.gz MJXUOJAXHRWORW-BEFAXECRSA-N 2 1 331.504 3.463 20 0 EGADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413166327 309019193 /nfs/dbraw/zinc/01/91/93/309019193.db2.gz KFEKTOKKVBZZLD-VQTJNVASSA-N 2 1 341.499 3.029 20 0 EGADMP COc1cc2[nH+]ccc(N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)c2cc1OC ZINC000413191401 309020578 /nfs/dbraw/zinc/02/05/78/309020578.db2.gz GUDRSKDBCBCWND-YOEHRIQHSA-N 2 1 341.455 3.173 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000414896238 309107847 /nfs/dbraw/zinc/10/78/47/309107847.db2.gz BEJCFFSPYHMWHL-INIZCTEOSA-N 2 1 341.459 3.010 20 0 EGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000414895602 309107862 /nfs/dbraw/zinc/10/78/62/309107862.db2.gz YCLLBEPVDNZRCI-SFHVURJKSA-N 2 1 342.487 3.141 20 0 EGADMP [NH3+][C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1)C1CC1 ZINC000414895031 309107944 /nfs/dbraw/zinc/10/79/44/309107944.db2.gz VGYNBONZBTXHLY-QGZVFWFLSA-N 2 1 338.480 3.428 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H]([NH3+])C(C)C)c1 ZINC000414899010 309108150 /nfs/dbraw/zinc/10/81/50/309108150.db2.gz GNZVZJAPKXRTLD-KRWDZBQOSA-N 2 1 343.475 3.160 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414905218 309108543 /nfs/dbraw/zinc/10/85/43/309108543.db2.gz NGVIPUGJLUHIQF-LJQANCHMSA-N 2 1 326.488 3.088 20 0 EGADMP CC[C@H]([NH3+])C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000414977335 309112460 /nfs/dbraw/zinc/11/24/60/309112460.db2.gz JQRLKKNPXHHJSN-KRWDZBQOSA-N 2 1 340.496 3.487 20 0 EGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415072609 309118311 /nfs/dbraw/zinc/11/83/11/309118311.db2.gz YEDLMVQNZMFJBC-MLGOLLRUSA-N 2 1 325.294 3.487 20 0 EGADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000415006687 309113872 /nfs/dbraw/zinc/11/38/72/309113872.db2.gz KVSSKYKHRMJRTO-NASSWSRMSA-N 3 1 327.516 3.017 20 0 EGADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000415006687 309113873 /nfs/dbraw/zinc/11/38/73/309113873.db2.gz KVSSKYKHRMJRTO-NASSWSRMSA-N 3 1 327.516 3.017 20 0 EGADMP CCOc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc(Cl)c1OC ZINC000415039156 309115940 /nfs/dbraw/zinc/11/59/40/309115940.db2.gz IXSBQHZVZDBTFQ-OAHLLOKOSA-N 2 1 326.868 3.354 20 0 EGADMP CCOc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccc1OCC(F)(F)F ZINC000415057439 309117174 /nfs/dbraw/zinc/11/71/74/309117174.db2.gz SSEUYJFTWZABSE-HNNXBMFYSA-N 2 1 348.409 3.489 20 0 EGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000415094456 309119943 /nfs/dbraw/zinc/11/99/43/309119943.db2.gz XNODNDSMRUWMPZ-LPHOPBHVSA-N 2 1 349.494 3.063 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1OC ZINC000415121663 309121773 /nfs/dbraw/zinc/12/17/73/309121773.db2.gz ZDKYVGADOMUMNV-MSOLQXFVSA-N 2 1 326.440 3.287 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@H]1C[NH3+] ZINC000415122024 309121933 /nfs/dbraw/zinc/12/19/33/309121933.db2.gz HYFWOJWGNHMUOZ-VQIMIIECSA-N 2 1 325.456 3.077 20 0 EGADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000415921015 309148672 /nfs/dbraw/zinc/14/86/72/309148672.db2.gz LJBHICWSLOQTKR-KRWDZBQOSA-N 2 1 332.492 3.038 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000415937048 309149946 /nfs/dbraw/zinc/14/99/46/309149946.db2.gz XCQOEYUBZPVDTA-MRXNPFEDSA-N 2 1 332.492 3.040 20 0 EGADMP [NH3+]Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000415981836 309152626 /nfs/dbraw/zinc/15/26/26/309152626.db2.gz WMJWWSMODYIRFM-IBGZPJMESA-N 2 1 344.503 3.312 20 0 EGADMP Brc1ccc2[nH+]ccc(N3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2c1 ZINC000420252768 309278069 /nfs/dbraw/zinc/27/80/69/309278069.db2.gz BUORJZAVZIQSGP-VXGBXAGGSA-N 2 1 332.245 3.043 20 0 EGADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)on1 ZINC000420288464 309279577 /nfs/dbraw/zinc/27/95/77/309279577.db2.gz HBXAJLBHKKFPKK-CQSZACIVSA-N 2 1 337.423 3.284 20 0 EGADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@H](C[NH3+])C2)on1 ZINC000420288464 309279578 /nfs/dbraw/zinc/27/95/78/309279578.db2.gz HBXAJLBHKKFPKK-CQSZACIVSA-N 2 1 337.423 3.284 20 0 EGADMP c1sc(Nc2ccccc2)nc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420315776 309281493 /nfs/dbraw/zinc/28/14/93/309281493.db2.gz MLIFEJKYMMPCNY-INIZCTEOSA-N 2 1 342.512 3.130 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)CCC2)c1 ZINC000420316180 309281681 /nfs/dbraw/zinc/28/16/81/309281681.db2.gz LLJIWAPDFGLWBI-AEFFLSMTSA-N 2 1 332.488 3.051 20 0 EGADMP C[N@H+](Cc1cncc(OCc2ccccc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000420318037 309281701 /nfs/dbraw/zinc/28/17/01/309281701.db2.gz VLXTZNHNNKYDLR-IBGZPJMESA-N 2 1 325.456 3.235 20 0 EGADMP C[N@@H+](Cc1cncc(OCc2ccccc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000420318037 309281702 /nfs/dbraw/zinc/28/17/02/309281702.db2.gz VLXTZNHNNKYDLR-IBGZPJMESA-N 2 1 325.456 3.235 20 0 EGADMP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000420320821 309281997 /nfs/dbraw/zinc/28/19/97/309281997.db2.gz BYXDHWYMZCHGTN-RYUDHWBXSA-N 2 1 333.423 3.292 20 0 EGADMP Fc1ccc(OCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420337855 309283075 /nfs/dbraw/zinc/28/30/75/309283075.db2.gz XHOKUPHYQLDNNH-UONOGXRCSA-N 2 1 326.843 3.179 20 0 EGADMP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000420344160 309283337 /nfs/dbraw/zinc/28/33/37/309283337.db2.gz SGQYTDIHSVYVIE-HDICACEKSA-N 2 1 340.471 3.291 20 0 EGADMP Clc1ccc(-c2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)on2)cc1 ZINC000420343856 309283450 /nfs/dbraw/zinc/28/34/50/309283450.db2.gz RVLDXWOCQFTPAN-GASCZTMLSA-N 2 1 331.847 3.426 20 0 EGADMP CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420353300 309283623 /nfs/dbraw/zinc/28/36/23/309283623.db2.gz BRIXTLULCZNEJV-VQIMIIECSA-N 2 1 345.531 3.040 20 0 EGADMP FC(F)(F)c1csc([C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420359854 309284021 /nfs/dbraw/zinc/28/40/21/309284021.db2.gz KYDCVLSUOXAVDH-VXGBXAGGSA-N 2 1 333.423 3.341 20 0 EGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420370883 309284949 /nfs/dbraw/zinc/28/49/49/309284949.db2.gz CZGITFHBGQHMTO-HNAYVOBHSA-N 2 1 341.503 3.432 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420373870 309285109 /nfs/dbraw/zinc/28/51/09/309285109.db2.gz GZWCEUFBLMBWMT-BFYDXBDKSA-N 2 1 325.456 3.084 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420373870 309285110 /nfs/dbraw/zinc/28/51/10/309285110.db2.gz GZWCEUFBLMBWMT-BFYDXBDKSA-N 2 1 325.456 3.084 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ncc(-c4cccs4)o3)CC2)C1 ZINC000420392343 309286107 /nfs/dbraw/zinc/28/61/07/309286107.db2.gz PJMKDWACVGXXIL-HUUCEWRRSA-N 2 1 347.484 3.121 20 0 EGADMP CCCCc1nc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cs1 ZINC000420392858 309286116 /nfs/dbraw/zinc/28/61/16/309286116.db2.gz PVMCKZVCHLFUAG-WBVHZDCISA-N 2 1 337.533 3.204 20 0 EGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)C1 ZINC000420398518 309286341 /nfs/dbraw/zinc/28/63/41/309286341.db2.gz YYDMIEDJKFJDCU-DOTOQJQBSA-N 2 1 347.484 3.121 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C[NH3+] ZINC000420396968 309286428 /nfs/dbraw/zinc/28/64/28/309286428.db2.gz FNZKVHNPVVVFAI-QFBILLFUSA-N 2 1 337.467 3.356 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1 ZINC000420413099 309287081 /nfs/dbraw/zinc/28/70/81/309287081.db2.gz ZRAGIXFKUYRUTB-WMLDXEAASA-N 2 1 335.879 3.133 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C[C@H]2CCC[NH+]2C)cc1)C(C)C ZINC000421708017 309335942 /nfs/dbraw/zinc/33/59/42/309335942.db2.gz YWKQPOIPBGWXJZ-LJQANCHMSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1)C(C)C ZINC000421708017 309335943 /nfs/dbraw/zinc/33/59/43/309335943.db2.gz YWKQPOIPBGWXJZ-LJQANCHMSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1)C(C)C ZINC000421708017 309335944 /nfs/dbraw/zinc/33/59/44/309335944.db2.gz YWKQPOIPBGWXJZ-LJQANCHMSA-N 2 1 331.504 3.083 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1OC ZINC000422699857 309363692 /nfs/dbraw/zinc/36/36/92/309363692.db2.gz BKKIDMSUMHVAPC-GJZGRUSLSA-N 2 1 326.868 3.497 20 0 EGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000422709694 309364220 /nfs/dbraw/zinc/36/42/20/309364220.db2.gz ZPSGOCNSFOIUSR-CXAGYDPISA-N 2 1 346.858 3.159 20 0 EGADMP C[C@@H]([NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000422711197 309364267 /nfs/dbraw/zinc/36/42/67/309364267.db2.gz GTHKFUSUPVHHLG-KUHUBIRLSA-N 2 1 338.430 3.114 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422713383 309364340 /nfs/dbraw/zinc/36/43/40/309364340.db2.gz JORIZGJVZNTIEK-CEMLEFRQSA-N 2 1 343.559 3.451 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422713383 309364341 /nfs/dbraw/zinc/36/43/41/309364341.db2.gz JORIZGJVZNTIEK-CEMLEFRQSA-N 3 1 343.559 3.451 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422713383 309364342 /nfs/dbraw/zinc/36/43/42/309364342.db2.gz JORIZGJVZNTIEK-CEMLEFRQSA-N 3 1 343.559 3.451 20 0 EGADMP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)N[C@@H]1CCC[NH2+]CC1 ZINC000422725612 309365177 /nfs/dbraw/zinc/36/51/77/309365177.db2.gz CAUMAQNCMWEYDF-UXHICEINSA-N 2 1 329.532 3.191 20 0 EGADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)N[C@@H]1CCC[NH2+]CC1 ZINC000422725612 309365178 /nfs/dbraw/zinc/36/51/78/309365178.db2.gz CAUMAQNCMWEYDF-UXHICEINSA-N 2 1 329.532 3.191 20 0 EGADMP C[C@@H](N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422726593 309365225 /nfs/dbraw/zinc/36/52/25/309365225.db2.gz FLRWSUOUUIYQJZ-XYPHTWIQSA-N 2 1 341.421 3.010 20 0 EGADMP CC1CCN([C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c2cccs2)CC1 ZINC000422747365 309366173 /nfs/dbraw/zinc/36/61/73/309366173.db2.gz PYZOIUCBIJAUJU-RCCFBDPRSA-N 2 1 335.561 3.499 20 0 EGADMP Fc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000422781704 309368116 /nfs/dbraw/zinc/36/81/16/309368116.db2.gz MINORLJHPDMDCW-PKOBYXMFSA-N 2 1 330.378 3.310 20 0 EGADMP CCCC[NH+]1CCC([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422794739 309368690 /nfs/dbraw/zinc/36/86/90/309368690.db2.gz ZEVLZOFXYDTPDC-TZIWHRDSSA-N 3 1 343.515 3.096 20 0 EGADMP c1cnn(-c2ccc(CC[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)cc2)c1 ZINC000422825948 309370548 /nfs/dbraw/zinc/37/05/48/309370548.db2.gz QFRUUCRYKORCMV-RBBKRZOGSA-N 2 1 346.478 3.498 20 0 EGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000422854813 309372208 /nfs/dbraw/zinc/37/22/08/309372208.db2.gz DBZQCHNGLVJUQM-WMZOPIPTSA-N 2 1 329.488 3.214 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)cc2)C1 ZINC000422859344 309372413 /nfs/dbraw/zinc/37/24/13/309372413.db2.gz JUXDESFOICQSHZ-LVCYWYKZSA-N 3 1 329.532 3.396 20 0 EGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422882947 309373751 /nfs/dbraw/zinc/37/37/51/309373751.db2.gz PQUXZBBZCVXFCX-HDAAZOAOSA-N 3 1 331.548 3.293 20 0 EGADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422882947 309373752 /nfs/dbraw/zinc/37/37/52/309373752.db2.gz PQUXZBBZCVXFCX-HDAAZOAOSA-N 2 1 331.548 3.293 20 0 EGADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422882947 309373753 /nfs/dbraw/zinc/37/37/53/309373753.db2.gz PQUXZBBZCVXFCX-HDAAZOAOSA-N 2 1 331.548 3.293 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422881915 309373801 /nfs/dbraw/zinc/37/38/01/309373801.db2.gz RFDGCKGBGDEELK-FXAWDEMLSA-N 2 1 338.499 3.120 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CN[C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422912129 309375730 /nfs/dbraw/zinc/37/57/30/309375730.db2.gz VMVIXDYATQHORY-WBVHZDCISA-N 2 1 332.536 3.400 20 0 EGADMP CC[C@H]1CCCN(C(C)(C)C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422912129 309375731 /nfs/dbraw/zinc/37/57/31/309375731.db2.gz VMVIXDYATQHORY-WBVHZDCISA-N 2 1 332.536 3.400 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422937911 309377175 /nfs/dbraw/zinc/37/71/75/309377175.db2.gz DGCGOFWUONTQNN-KBXCAEBGSA-N 2 1 334.410 3.379 20 0 EGADMP c1sc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1C1CC1 ZINC000422939578 309377218 /nfs/dbraw/zinc/37/72/18/309377218.db2.gz MDNJXAZAKOJXAV-HNAYVOBHSA-N 2 1 341.480 3.366 20 0 EGADMP C[C@H](NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022482 309381552 /nfs/dbraw/zinc/38/15/52/309381552.db2.gz HTBKJNOQPHJDDH-CSBKYJRVSA-N 2 1 339.886 3.202 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022482 309381554 /nfs/dbraw/zinc/38/15/54/309381554.db2.gz HTBKJNOQPHJDDH-CSBKYJRVSA-N 2 1 339.886 3.202 20 0 EGADMP Cn1c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc2cc(Cl)ccc21 ZINC000423062941 309383921 /nfs/dbraw/zinc/38/39/21/309383921.db2.gz NWOXVARZEVCYGP-RRFJBIMHSA-N 2 1 332.879 3.237 20 0 EGADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(F)cc1Br ZINC000423101858 309385889 /nfs/dbraw/zinc/38/58/89/309385889.db2.gz DICVVGOVXXCMOQ-YMTOWFKASA-N 2 1 333.220 3.334 20 0 EGADMP Fc1ccccc1[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423106316 309386289 /nfs/dbraw/zinc/38/62/89/309386289.db2.gz ZPCCRCMXEUHMNN-IBMXSDLOSA-N 2 1 332.463 3.209 20 0 EGADMP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423108866 309386327 /nfs/dbraw/zinc/38/63/27/309386327.db2.gz RPMRQQHNSRZNOQ-KFKAGJAMSA-N 2 1 331.479 3.436 20 0 EGADMP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423115905 309386740 /nfs/dbraw/zinc/38/67/40/309386740.db2.gz YZQKFARABZGAKC-OTNPHJDUSA-N 2 1 346.515 3.324 20 0 EGADMP CC(C)Oc1ccc([C@H](C[NH2+][C@@H](C)c2c[nH+]ccc2N)N(C)C)cc1 ZINC000423124525 309387102 /nfs/dbraw/zinc/38/71/02/309387102.db2.gz MQQBPQFIZYERCV-YWZLYKJASA-N 2 1 342.487 3.235 20 0 EGADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c(C)c1 ZINC000423137355 309387787 /nfs/dbraw/zinc/38/77/87/309387787.db2.gz WETYTJIACMYMNJ-DFQSSKMNSA-N 2 1 330.516 3.328 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC[C@@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000423250922 309392367 /nfs/dbraw/zinc/39/23/67/309392367.db2.gz RFQDCRDANRWMGS-QESAQDPVSA-N 3 1 341.543 3.266 20 0 EGADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000423255488 309392568 /nfs/dbraw/zinc/39/25/68/309392568.db2.gz AFUDWMHSOATSHI-AZUAARDMSA-N 2 1 329.532 3.061 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c(C)c1OC ZINC000423258800 309392882 /nfs/dbraw/zinc/39/28/82/309392882.db2.gz CKVXNGCBLYQFPI-RDTXWAMCSA-N 2 1 334.504 3.440 20 0 EGADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423287975 309394076 /nfs/dbraw/zinc/39/40/76/309394076.db2.gz PSSXUQUPLMUYSD-OAHLLOKOSA-N 2 1 338.455 3.301 20 0 EGADMP COCCC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Br)cc1 ZINC000423313339 309394834 /nfs/dbraw/zinc/39/48/34/309394834.db2.gz FOJQLRUWBHIFMA-HZPDHXFCSA-N 2 1 341.293 3.244 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)CCC2 ZINC000423332180 309395557 /nfs/dbraw/zinc/39/55/57/309395557.db2.gz HBMVIUXQSBBOBM-KUHUBIRLSA-N 2 1 334.460 3.121 20 0 EGADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423341927 309396152 /nfs/dbraw/zinc/39/61/52/309396152.db2.gz YFCQTDZBEDUVSZ-ZBFHGGJFSA-N 2 1 336.451 3.306 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(Br)c1 ZINC000423347663 309396399 /nfs/dbraw/zinc/39/63/99/309396399.db2.gz RPNFRHOHWLBAQM-LRDDRELGSA-N 2 1 341.293 3.498 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC[NH2+]1 ZINC000423363577 309397156 /nfs/dbraw/zinc/39/71/56/309397156.db2.gz APZNDQOYFHMLON-VPJDZLOFSA-N 2 1 327.241 3.306 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC[NH2+]1 ZINC000423381725 309398032 /nfs/dbraw/zinc/39/80/32/309398032.db2.gz NXZWCZCRAGLTIQ-QNDFHXLGSA-N 2 1 327.516 3.160 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC[NH2+]1 ZINC000423381725 309398033 /nfs/dbraw/zinc/39/80/33/309398033.db2.gz NXZWCZCRAGLTIQ-QNDFHXLGSA-N 3 1 327.516 3.160 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC[NH2+]1 ZINC000423381725 309398034 /nfs/dbraw/zinc/39/80/34/309398034.db2.gz NXZWCZCRAGLTIQ-QNDFHXLGSA-N 3 1 327.516 3.160 20 0 EGADMP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2[C@H]4C[NH2+]C[C@H]42)CCC3)cc1 ZINC000423422695 309399676 /nfs/dbraw/zinc/39/96/76/309399676.db2.gz DFZDHBLRECVCQA-QSJFSLAZSA-N 2 1 325.481 3.303 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H](C(C)C)[NH+]2CCCC2)cc1O ZINC000426395257 309506243 /nfs/dbraw/zinc/50/62/43/309506243.db2.gz MDXRNBYQSXXUMK-FUHWJXTLSA-N 2 1 334.504 3.432 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000446968242 309971736 /nfs/dbraw/zinc/97/17/36/309971736.db2.gz YNDHOHNXEFMCSR-BFYDXBDKSA-N 2 1 349.544 3.287 20 0 EGADMP C[C@H](c1nc(Cc2ccc(F)cc2)no1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000447370909 309977862 /nfs/dbraw/zinc/97/78/62/309977862.db2.gz CZQHABAVMMDQMZ-CQSZACIVSA-N 2 1 346.450 3.134 20 0 EGADMP C[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1cc(F)cc(F)c1 ZINC000449052256 310033208 /nfs/dbraw/zinc/03/32/08/310033208.db2.gz YVQXVBSYMBTVPV-VUKOWNLVSA-N 2 1 338.442 3.252 20 0 EGADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1cc(F)cc(F)c1 ZINC000449052256 310033209 /nfs/dbraw/zinc/03/32/09/310033209.db2.gz YVQXVBSYMBTVPV-VUKOWNLVSA-N 2 1 338.442 3.252 20 0 EGADMP CC(C)COc1ccccc1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000449131292 310039292 /nfs/dbraw/zinc/03/92/92/310039292.db2.gz LMLWPLRJTGEWJJ-UHFFFAOYSA-N 2 1 347.547 3.085 20 0 EGADMP CCn1nnc(C)c1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000449142374 310040020 /nfs/dbraw/zinc/04/00/20/310040020.db2.gz NXSWWEPPXAFZDL-UHFFFAOYSA-N 2 1 341.503 3.272 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](C)O[C@@H]3C)CC2)cs1 ZINC000449151075 310040608 /nfs/dbraw/zinc/04/06/08/310040608.db2.gz VNKOUIVUFHAGSI-CKEIUWERSA-N 2 1 337.533 3.073 20 0 EGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCOC4(CCC4)C3)CCCC2)CC1 ZINC000449156638 310040923 /nfs/dbraw/zinc/04/09/23/310040923.db2.gz SVQRTRPJIQXLFG-QGZVFWFLSA-N 2 1 336.520 3.101 20 0 EGADMP C[C@H](Cc1coc2ccccc12)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000449287909 310050457 /nfs/dbraw/zinc/05/04/57/310050457.db2.gz XOVJVAUZIDRKIV-IAGOWNOFSA-N 2 1 330.472 3.454 20 0 EGADMP C[C@H](Cc1coc2ccccc12)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000449287909 310050458 /nfs/dbraw/zinc/05/04/58/310050458.db2.gz XOVJVAUZIDRKIV-IAGOWNOFSA-N 2 1 330.472 3.454 20 0 EGADMP CCN(C)C(=O)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C(C)C ZINC000449442098 310062379 /nfs/dbraw/zinc/06/23/79/310062379.db2.gz WGNTYXCNJHFMIX-WDSOQIARSA-N 2 1 337.552 3.122 20 0 EGADMP Cc1ncsc1CC[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000449467062 310064446 /nfs/dbraw/zinc/06/44/46/310064446.db2.gz KLMOEEVMZVFBPX-UHFFFAOYSA-N 2 1 336.530 3.007 20 0 EGADMP Cc1ncsc1CC[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000449467062 310064447 /nfs/dbraw/zinc/06/44/47/310064447.db2.gz KLMOEEVMZVFBPX-UHFFFAOYSA-N 2 1 336.530 3.007 20 0 EGADMP CC(C)n1cc(C2=CCC[N@H+](C3CC[NH+](C(C)C)CC3)CC2)nn1 ZINC000449475242 310065302 /nfs/dbraw/zinc/06/53/02/310065302.db2.gz WSXSQYVXJJTHLS-UHFFFAOYSA-N 2 1 331.508 3.211 20 0 EGADMP FCC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000449488022 310066243 /nfs/dbraw/zinc/06/62/43/310066243.db2.gz BUTGMAVSGKURBE-SLFFLAALSA-N 2 1 346.490 3.253 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CC3CCCCCC3)C2)CC1 ZINC000449491615 310066504 /nfs/dbraw/zinc/06/65/04/310066504.db2.gz ACBGLOILLDSZEM-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CC3CCCCCC3)C2)CC1 ZINC000449491615 310066505 /nfs/dbraw/zinc/06/65/05/310066505.db2.gz ACBGLOILLDSZEM-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CC3CCCCCC3)C2)CC1 ZINC000449491615 310066506 /nfs/dbraw/zinc/06/65/06/310066506.db2.gz ACBGLOILLDSZEM-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC000449491615 310066507 /nfs/dbraw/zinc/06/65/07/310066507.db2.gz ACBGLOILLDSZEM-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP O[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000449578355 310073385 /nfs/dbraw/zinc/07/33/85/310073385.db2.gz KYQDZHFEGQRDFH-ADAARDCZSA-N 2 1 328.500 3.038 20 0 EGADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449592868 310074330 /nfs/dbraw/zinc/07/43/30/310074330.db2.gz ZDBZBULGJZBXAJ-FFGOWVMKSA-N 2 1 344.499 3.218 20 0 EGADMP CC(C)Oc1ccc2[nH+]ccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2c1 ZINC000450828892 310144512 /nfs/dbraw/zinc/14/45/12/310144512.db2.gz NZPCPJPQYJAIGV-MQVJKMGUSA-N 2 1 325.456 3.481 20 0 EGADMP c1cn(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000453056037 310254716 /nfs/dbraw/zinc/25/47/16/310254716.db2.gz KOCGQNKAFUCZLD-PCCBWWKXSA-N 2 1 338.499 3.306 20 0 EGADMP COCCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453095498 310257579 /nfs/dbraw/zinc/25/75/79/310257579.db2.gz SQDWEIFCTHJONS-PWRODBHTSA-N 2 1 346.515 3.072 20 0 EGADMP Cc1nccn1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453098141 310257764 /nfs/dbraw/zinc/25/77/64/310257764.db2.gz ZVRWWOPQIJIEDB-NJYVYQBISA-N 2 1 338.499 3.224 20 0 EGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)COC1 ZINC000453389745 310274228 /nfs/dbraw/zinc/27/42/28/310274228.db2.gz XOBKCAJVWPBNGF-XUVXKRRUSA-N 2 1 328.500 3.446 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)nnn1-c1ccccc1 ZINC000453406451 310275380 /nfs/dbraw/zinc/27/53/80/310275380.db2.gz QYZINVYHSHJLLB-OAHLLOKOSA-N 2 1 327.476 3.101 20 0 EGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(C)c1 ZINC000453419988 310276193 /nfs/dbraw/zinc/27/61/93/310276193.db2.gz JYXKBSLCAGWNAG-QGZVFWFLSA-N 2 1 331.504 3.485 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CN(Cc2ccccc2)C1 ZINC000453590193 310283102 /nfs/dbraw/zinc/28/31/02/310283102.db2.gz AYMWJHCFBYBFTM-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000454308782 310302655 /nfs/dbraw/zinc/30/26/55/310302655.db2.gz BPEDNDHEKXKIEE-DNVCBOLYSA-N 2 1 344.503 3.231 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000454308784 310302687 /nfs/dbraw/zinc/30/26/87/310302687.db2.gz BPEDNDHEKXKIEE-HNAYVOBHSA-N 2 1 344.503 3.231 20 0 EGADMP Cc1cc(NC(=O)NCc2ccc(C[NH+](C)C)cc2)cn2cc[nH+]c12 ZINC000455657430 310371612 /nfs/dbraw/zinc/37/16/12/310371612.db2.gz LTFDDTABDAOEBE-UHFFFAOYSA-N 2 1 337.427 3.026 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455936481 310382799 /nfs/dbraw/zinc/38/27/99/310382799.db2.gz RZFZSOORVDXKTF-IEBWSBKVSA-N 2 1 344.503 3.184 20 0 EGADMP CC[N@@H+](CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)C1CC1 ZINC000488365409 311062576 /nfs/dbraw/zinc/06/25/76/311062576.db2.gz XHVIHAKUVVQJTQ-KRWDZBQOSA-N 2 1 343.515 3.251 20 0 EGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CS1 ZINC000488447149 311066229 /nfs/dbraw/zinc/06/62/29/311066229.db2.gz ZKLIRRRNEQDBBW-BJLQDIEVSA-N 2 1 348.556 3.133 20 0 EGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CS1 ZINC000488447149 311066232 /nfs/dbraw/zinc/06/62/32/311066232.db2.gz ZKLIRRRNEQDBBW-BJLQDIEVSA-N 2 1 348.556 3.133 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)cc1)C1CC1 ZINC000489309785 311099196 /nfs/dbraw/zinc/09/91/96/311099196.db2.gz ZQLPUDVERMZNPH-HXUWFJFHSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1)C1CC1 ZINC000489309785 311099197 /nfs/dbraw/zinc/09/91/97/311099197.db2.gz ZQLPUDVERMZNPH-HXUWFJFHSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1)C1CC1 ZINC000489309785 311099198 /nfs/dbraw/zinc/09/91/98/311099198.db2.gz ZQLPUDVERMZNPH-HXUWFJFHSA-N 2 1 343.515 3.083 20 0 EGADMP CCC[N@@H+](CCCn1ccnc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490083509 311132715 /nfs/dbraw/zinc/13/27/15/311132715.db2.gz CEOUBXAFRMPVCY-KRWDZBQOSA-N 2 1 328.460 3.321 20 0 EGADMP C[C@H](CCc1c(F)cccc1F)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000510961730 312151734 /nfs/dbraw/zinc/15/17/34/312151734.db2.gz NLPOCLGBVPYVOG-HZPDHXFCSA-N 2 1 340.458 3.376 20 0 EGADMP C[C@H](CCc1c(F)cccc1F)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000510961730 312151736 /nfs/dbraw/zinc/15/17/36/312151736.db2.gz NLPOCLGBVPYVOG-HZPDHXFCSA-N 2 1 340.458 3.376 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000512042739 312174183 /nfs/dbraw/zinc/17/41/83/312174183.db2.gz YTRBYHNWDUKOOL-ARJAWSKDSA-N 2 1 338.442 3.457 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCC[NH+]4CCCCC4)[C@H]3C2)cc1 ZINC000512655421 312191652 /nfs/dbraw/zinc/19/16/52/312191652.db2.gz UJQAFTLMUQGPNS-FDFHNCONSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCC[NH+]4CCCCC4)[C@H]3C2)cc1 ZINC000512655421 312191653 /nfs/dbraw/zinc/19/16/53/312191653.db2.gz UJQAFTLMUQGPNS-FDFHNCONSA-N 2 1 341.543 3.363 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000512677883 312192036 /nfs/dbraw/zinc/19/20/36/312192036.db2.gz MMEFBOUSLZOUSX-KIZRIRGWSA-N 2 1 341.543 3.281 20 0 EGADMP CC[NH+](CC)CCCCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000515072311 312264358 /nfs/dbraw/zinc/26/43/58/312264358.db2.gz ZHBVSXFPJZNOMZ-QGZVFWFLSA-N 2 1 339.911 3.181 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000515385752 312280454 /nfs/dbraw/zinc/28/04/54/312280454.db2.gz ALVFIODBOZCESO-YZGWKJHDSA-N 2 1 349.563 3.397 20 0 EGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000516173587 312312462 /nfs/dbraw/zinc/31/24/62/312312462.db2.gz IAOBOMWTIAIAGY-HNNXBMFYSA-N 2 1 338.517 3.053 20 0 EGADMP C[C@@H]1C[NH+](CCCC[N@@H+]2C[C@@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000516179442 312312945 /nfs/dbraw/zinc/31/29/45/312312945.db2.gz RPVTZMHKZMCNEN-QZTJIDSGSA-N 2 1 336.520 3.053 20 0 EGADMP COc1ccc2ccccc2c1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000516874140 312347498 /nfs/dbraw/zinc/34/74/98/312347498.db2.gz MDEYZKQLINVTBT-UHFFFAOYSA-N 2 1 343.515 3.164 20 0 EGADMP Cc1ccc2sc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)nc2c1 ZINC000528356865 313072435 /nfs/dbraw/zinc/07/24/35/313072435.db2.gz RIXUFTFXGHVSSE-UHFFFAOYSA-N 2 1 345.512 3.149 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000528397371 313084327 /nfs/dbraw/zinc/08/43/27/313084327.db2.gz KBPBQSYQHBGZBI-RBUKOAKNSA-N 2 1 331.435 3.053 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000528397371 313084331 /nfs/dbraw/zinc/08/43/31/313084331.db2.gz KBPBQSYQHBGZBI-RBUKOAKNSA-N 2 1 331.435 3.053 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(F)cn3)CC2)cs1 ZINC000529550728 313352782 /nfs/dbraw/zinc/35/27/82/313352782.db2.gz PMULWLNOZADABZ-UHFFFAOYSA-N 2 1 348.491 3.241 20 0 EGADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCC23CCCC3)c2cccs2)CC1 ZINC000530545658 313552929 /nfs/dbraw/zinc/55/29/29/313552929.db2.gz CNHLXDYWPAOZMR-AEFFLSMTSA-N 2 1 333.545 3.349 20 0 EGADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccsc1 ZINC000531677642 313699504 /nfs/dbraw/zinc/69/95/04/313699504.db2.gz DOPGYDPHEXHLIZ-GOEBONIOSA-N 2 1 335.542 3.449 20 0 EGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000536695375 314139010 /nfs/dbraw/zinc/13/90/10/314139010.db2.gz CYVFNELNHWJCGD-KRWDZBQOSA-N 2 1 338.442 3.494 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000536695375 314139013 /nfs/dbraw/zinc/13/90/13/314139013.db2.gz CYVFNELNHWJCGD-KRWDZBQOSA-N 2 1 338.442 3.494 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000536695375 314139017 /nfs/dbraw/zinc/13/90/17/314139017.db2.gz CYVFNELNHWJCGD-KRWDZBQOSA-N 2 1 338.442 3.494 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000536695375 314139021 /nfs/dbraw/zinc/13/90/21/314139021.db2.gz CYVFNELNHWJCGD-KRWDZBQOSA-N 2 1 338.442 3.494 20 0 EGADMP CCOCCC[N@H+]1CC[C@H](Nc2ccc(N(CC)CC)nc2)[C@@H](C)C1 ZINC000537455261 314182313 /nfs/dbraw/zinc/18/23/13/314182313.db2.gz BPROTGPKNGJDFC-HKUYNNGSSA-N 2 1 348.535 3.477 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](CC(C)C)C2)[C@@H](C)C1 ZINC000537478705 314183764 /nfs/dbraw/zinc/18/37/64/314183764.db2.gz ZWHYTSKPDCFCRR-NMLBUPMWSA-N 2 1 340.552 3.307 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000537919037 314217070 /nfs/dbraw/zinc/21/70/70/314217070.db2.gz CGYOYHVNNZJCSJ-FUHWJXTLSA-N 2 1 344.499 3.199 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000537939229 314218017 /nfs/dbraw/zinc/21/80/17/314218017.db2.gz IIZNNKKMQOXRFM-UKAVVXHISA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[NH+](C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000537939229 314218020 /nfs/dbraw/zinc/21/80/20/314218020.db2.gz IIZNNKKMQOXRFM-UKAVVXHISA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[NH+](C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000537939229 314218023 /nfs/dbraw/zinc/21/80/23/314218023.db2.gz IIZNNKKMQOXRFM-UKAVVXHISA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCN(C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000537939229 314218024 /nfs/dbraw/zinc/21/80/24/314218024.db2.gz IIZNNKKMQOXRFM-UKAVVXHISA-N 2 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCN(C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000537939229 314218028 /nfs/dbraw/zinc/21/80/28/314218028.db2.gz IIZNNKKMQOXRFM-UKAVVXHISA-N 2 1 329.532 3.217 20 0 EGADMP CC[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000538724169 314270215 /nfs/dbraw/zinc/27/02/15/314270215.db2.gz WINMXIRCXWMMED-SFHLNBCPSA-N 2 1 329.532 3.138 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000539063336 314293792 /nfs/dbraw/zinc/29/37/92/314293792.db2.gz AKPOCJHTPFQBBZ-HOCLYGCPSA-N 2 1 344.528 3.195 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000539063336 314293795 /nfs/dbraw/zinc/29/37/95/314293795.db2.gz AKPOCJHTPFQBBZ-HOCLYGCPSA-N 2 1 344.528 3.195 20 0 EGADMP COCC[NH+]1CCC([NH2+]CCOc2cccc(Cl)c2Cl)CC1 ZINC000540191311 314368969 /nfs/dbraw/zinc/36/89/69/314368969.db2.gz OZBAYKCDQUCZCA-UHFFFAOYSA-N 2 1 347.286 3.073 20 0 EGADMP Cc1cc(C)c(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000540613663 314392119 /nfs/dbraw/zinc/39/21/19/314392119.db2.gz KTRXBEHOAZIVJH-QFIPXVFZSA-N 2 1 338.495 3.338 20 0 EGADMP Cc1cc(C)c(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000540613663 314392123 /nfs/dbraw/zinc/39/21/23/314392123.db2.gz KTRXBEHOAZIVJH-QFIPXVFZSA-N 2 1 338.495 3.338 20 0 EGADMP CO[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000543074842 314601856 /nfs/dbraw/zinc/60/18/56/314601856.db2.gz YRZLFGHWLAOKQV-PXNSSMCTSA-N 2 1 334.479 3.237 20 0 EGADMP CCC(CC)(C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC ZINC000548486955 315016247 /nfs/dbraw/zinc/01/62/47/315016247.db2.gz KUYLZRQYJZXSNN-PKOBYXMFSA-N 2 1 346.515 3.466 20 0 EGADMP COc1ccccc1OCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550610138 315130880 /nfs/dbraw/zinc/13/08/80/315130880.db2.gz NEHMBIAUHWJSOK-RTBURBONSA-N 2 1 340.467 3.499 20 0 EGADMP COc1ccccc1OCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550610138 315130883 /nfs/dbraw/zinc/13/08/83/315130883.db2.gz NEHMBIAUHWJSOK-RTBURBONSA-N 2 1 340.467 3.499 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CC)Cc1ccc(OC)c(OC)c1 ZINC000552099464 315197753 /nfs/dbraw/zinc/19/77/53/315197753.db2.gz JSMDWHZJMHSMJK-ROUUACIJSA-N 2 1 334.504 3.489 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](CC)Cc1ccc(OC)c(OC)c1 ZINC000552099464 315197756 /nfs/dbraw/zinc/19/77/56/315197756.db2.gz JSMDWHZJMHSMJK-ROUUACIJSA-N 2 1 334.504 3.489 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000552919352 315237841 /nfs/dbraw/zinc/23/78/41/315237841.db2.gz ANFXGCHIWRZEKA-ZGGTZUKQSA-N 2 1 341.499 3.141 20 0 EGADMP CC(C)OCCN1CCN(c2ccnc3c(Cl)cccc23)CC1 ZINC000553486674 315266361 /nfs/dbraw/zinc/26/63/61/315266361.db2.gz WVMGLRLMTLCRKY-UHFFFAOYSA-N 2 1 333.863 3.435 20 0 EGADMP CC(C)Cc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000554401712 315316259 /nfs/dbraw/zinc/31/62/59/315316259.db2.gz GXTHXYDTOWDQDD-YYWHXJBOSA-N 2 1 331.548 3.418 20 0 EGADMP CC(C)Cc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000554401712 315316263 /nfs/dbraw/zinc/31/62/63/315316263.db2.gz GXTHXYDTOWDQDD-YYWHXJBOSA-N 2 1 331.548 3.418 20 0 EGADMP CC(C)Cc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000554401712 315316266 /nfs/dbraw/zinc/31/62/66/315316266.db2.gz GXTHXYDTOWDQDD-YYWHXJBOSA-N 2 1 331.548 3.418 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000555525194 315387696 /nfs/dbraw/zinc/38/76/96/315387696.db2.gz YMKQYEQMQRMKGX-HIFRSBDPSA-N 2 1 337.305 3.238 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H](C)C(C)(C)C)CC2)CC1 ZINC000563372237 316009709 /nfs/dbraw/zinc/00/97/09/316009709.db2.gz YYFAQVHOEWVCPZ-MRXNPFEDSA-N 2 1 337.552 3.076 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])N2CCCC2)cc1 ZINC000563528276 316033243 /nfs/dbraw/zinc/03/32/43/316033243.db2.gz RMTZQFDMEVTNIG-ZCNNSNEGSA-N 2 1 331.504 3.082 20 0 EGADMP CC(C)[NH2+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000564201070 316122481 /nfs/dbraw/zinc/12/24/81/316122481.db2.gz PIFOGZCZHVXTMT-HBMCJLEFSA-N 2 1 329.532 3.407 20 0 EGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000564201070 316122486 /nfs/dbraw/zinc/12/24/86/316122486.db2.gz PIFOGZCZHVXTMT-HBMCJLEFSA-N 3 1 329.532 3.407 20 0 EGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000564201070 316122491 /nfs/dbraw/zinc/12/24/91/316122491.db2.gz PIFOGZCZHVXTMT-HBMCJLEFSA-N 3 1 329.532 3.407 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000564240705 316127392 /nfs/dbraw/zinc/12/73/92/316127392.db2.gz KXNHOHCPNZUCLG-GOSISDBHSA-N 2 1 327.472 3.168 20 0 EGADMP Oc1cc(F)cc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000564507298 316159769 /nfs/dbraw/zinc/15/97/69/316159769.db2.gz ULUOPPQGRVVGOP-RTBURBONSA-N 2 1 340.442 3.485 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000564822852 316212381 /nfs/dbraw/zinc/21/23/81/316212381.db2.gz RRZSCRJDDCPPHN-FKBYEOEOSA-N 3 1 341.543 3.266 20 0 EGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000565159536 316277955 /nfs/dbraw/zinc/27/79/55/316277955.db2.gz ZFGCVMXSJCMCEL-JQFCIGGWSA-N 2 1 344.421 3.401 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000565159536 316277957 /nfs/dbraw/zinc/27/79/57/316277957.db2.gz ZFGCVMXSJCMCEL-JQFCIGGWSA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000565159536 316277960 /nfs/dbraw/zinc/27/79/60/316277960.db2.gz ZFGCVMXSJCMCEL-JQFCIGGWSA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000565159536 316277964 /nfs/dbraw/zinc/27/79/64/316277964.db2.gz ZFGCVMXSJCMCEL-JQFCIGGWSA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cscc3C)CC2)CC1 ZINC000565182945 316286032 /nfs/dbraw/zinc/28/60/32/316286032.db2.gz OTHHRGUPTVHKHM-UHFFFAOYSA-N 2 1 335.517 3.191 20 0 EGADMP CCC(CC)N(CC)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000565208044 316290314 /nfs/dbraw/zinc/29/03/14/316290314.db2.gz LCQZSOLVSQCVJR-UHFFFAOYSA-N 2 1 337.552 3.220 20 0 EGADMP COc1ccc([C@H](C)[NH2+]CCCCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000565534437 316336410 /nfs/dbraw/zinc/33/64/10/316336410.db2.gz GFMFODZKUGMSRO-HNNXBMFYSA-N 2 1 339.911 3.027 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000565652202 316351894 /nfs/dbraw/zinc/35/18/94/316351894.db2.gz AOKZWBKISMVGIB-DENIHFKCSA-N 2 1 340.511 3.311 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000565828643 316375078 /nfs/dbraw/zinc/37/50/78/316375078.db2.gz XNETTXPUFXSKPW-RHSMWYFYSA-N 2 1 344.421 3.321 20 0 EGADMP COCCSc1ccc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1 ZINC000565841268 316378070 /nfs/dbraw/zinc/37/80/70/316378070.db2.gz PDPPPEHJESLZOX-HNNXBMFYSA-N 2 1 333.501 3.442 20 0 EGADMP Cn1ncc2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)cc21 ZINC000570065278 317003458 /nfs/dbraw/zinc/00/34/58/317003458.db2.gz SHGGISUFULJGOA-PMACEKPBSA-N 2 1 334.467 3.498 20 0 EGADMP Cn1ncc2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)cc21 ZINC000570065278 317003462 /nfs/dbraw/zinc/00/34/62/317003462.db2.gz SHGGISUFULJGOA-PMACEKPBSA-N 2 1 334.467 3.498 20 0 EGADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000570953581 317132218 /nfs/dbraw/zinc/13/22/18/317132218.db2.gz PQMLRIKKBPJLSQ-FUMNGEBKSA-N 2 1 343.515 3.153 20 0 EGADMP FC(F)(F)c1ccccc1OCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000570964267 317133554 /nfs/dbraw/zinc/13/35/54/317133554.db2.gz HFSDHLOPHYFVJM-CABCVRRESA-N 2 1 342.405 3.406 20 0 EGADMP COCC1(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000571325843 317183394 /nfs/dbraw/zinc/18/33/94/317183394.db2.gz VCPNMMQMIHTJEY-XUVXKRRUSA-N 2 1 328.500 3.303 20 0 EGADMP C[C@H]1C[C@@H](NCc2c(F)ccc(Br)c2F)CC[N@H+]1C ZINC000230309937 456135502 /nfs/dbraw/zinc/13/55/02/456135502.db2.gz MRWRXZPOENFLCY-UWVGGRQHSA-N 2 1 333.220 3.300 20 0 EGADMP CC1(C)CCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000178007675 323349574 /nfs/dbraw/zinc/34/95/74/323349574.db2.gz QOHUUXRALSEJHD-RBUKOAKNSA-N 2 1 343.515 3.052 20 0 EGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379680649 324241090 /nfs/dbraw/zinc/24/10/90/324241090.db2.gz NJLUXDYFLMEBQJ-AEFFLSMTSA-N 2 1 333.520 3.037 20 0 EGADMP C[N@H+](Cc1ccc(Br)c(Br)c1)C1CC([NH3+])C1 ZINC000384920082 324261760 /nfs/dbraw/zinc/26/17/60/324261760.db2.gz ZPTYCDYIGADVKO-UHFFFAOYSA-N 2 1 348.082 3.133 20 0 EGADMP C[N@@H+](Cc1ccc(Br)c(Br)c1)C1CC([NH3+])C1 ZINC000384920082 324261764 /nfs/dbraw/zinc/26/17/64/324261764.db2.gz ZPTYCDYIGADVKO-UHFFFAOYSA-N 2 1 348.082 3.133 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000387475459 324270949 /nfs/dbraw/zinc/27/09/49/324270949.db2.gz UMBALIOZVIOBRH-GGPKGHCWSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000387475459 324270952 /nfs/dbraw/zinc/27/09/52/324270952.db2.gz UMBALIOZVIOBRH-GGPKGHCWSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000387475459 324270955 /nfs/dbraw/zinc/27/09/55/324270955.db2.gz UMBALIOZVIOBRH-GGPKGHCWSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000387475459 324270959 /nfs/dbraw/zinc/27/09/59/324270959.db2.gz UMBALIOZVIOBRH-GGPKGHCWSA-N 2 1 329.532 3.359 20 0 EGADMP Cc1cnccc1CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000397526163 324294801 /nfs/dbraw/zinc/29/48/01/324294801.db2.gz QILYPMNGUQNNOX-VXKWHMMOSA-N 2 1 335.495 3.386 20 0 EGADMP Cc1cnccc1CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000397526163 324294804 /nfs/dbraw/zinc/29/48/04/324294804.db2.gz QILYPMNGUQNNOX-VXKWHMMOSA-N 2 1 335.495 3.386 20 0 EGADMP Cc1cnccc1CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000397526163 324294806 /nfs/dbraw/zinc/29/48/06/324294806.db2.gz QILYPMNGUQNNOX-VXKWHMMOSA-N 2 1 335.495 3.386 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC[C@@H]1CCC[NH+]1C ZINC000469770982 324361924 /nfs/dbraw/zinc/36/19/24/324361924.db2.gz XEWZZUBDDKHHFN-IZZBFERCSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NCC[C@@H]1CCC[N@@H+]1C ZINC000469770982 324361929 /nfs/dbraw/zinc/36/19/29/324361929.db2.gz XEWZZUBDDKHHFN-IZZBFERCSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NCC[C@@H]1CCC[N@H+]1C ZINC000469770982 324361934 /nfs/dbraw/zinc/36/19/34/324361934.db2.gz XEWZZUBDDKHHFN-IZZBFERCSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC[C@@H]1CCC[NH+]1C ZINC000469770982 324361939 /nfs/dbraw/zinc/36/19/39/324361939.db2.gz XEWZZUBDDKHHFN-IZZBFERCSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC[C@@H]1CCC[NH+]1C ZINC000469770982 324361947 /nfs/dbraw/zinc/36/19/47/324361947.db2.gz XEWZZUBDDKHHFN-IZZBFERCSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000469770982 324361950 /nfs/dbraw/zinc/36/19/50/324361950.db2.gz XEWZZUBDDKHHFN-IZZBFERCSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000469770982 324361953 /nfs/dbraw/zinc/36/19/53/324361953.db2.gz XEWZZUBDDKHHFN-IZZBFERCSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000579022581 325052545 /nfs/dbraw/zinc/05/25/45/325052545.db2.gz GVWXKZFYJDSHQJ-GJZGRUSLSA-N 2 1 328.460 3.412 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000579022581 325052549 /nfs/dbraw/zinc/05/25/49/325052549.db2.gz GVWXKZFYJDSHQJ-GJZGRUSLSA-N 2 1 328.460 3.412 20 0 EGADMP COC(=O)CCC[NH+]1CCC(Nc2cccc3cc[nH+]cc32)CC1 ZINC000579660178 325140276 /nfs/dbraw/zinc/14/02/76/325140276.db2.gz KOSBJHRRLKTGBX-UHFFFAOYSA-N 2 1 327.428 3.064 20 0 EGADMP C[N@@H+](CCC[NH3+])Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000580430365 325249506 /nfs/dbraw/zinc/24/95/06/325249506.db2.gz BZYSHQYBMRALOV-UHFFFAOYSA-N 2 1 331.847 3.373 20 0 EGADMP O=C(Nc1cccc2c1CC[NH2+]C2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000581249688 325345998 /nfs/dbraw/zinc/34/59/98/325345998.db2.gz DBAXTHWKLUUYIM-IBGZPJMESA-N 2 1 349.478 3.183 20 0 EGADMP Cc1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n1C ZINC000581440383 325362083 /nfs/dbraw/zinc/36/20/83/325362083.db2.gz FSTWFOFHMQQWDU-INIZCTEOSA-N 2 1 326.488 3.250 20 0 EGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000583363974 325517183 /nfs/dbraw/zinc/51/71/83/325517183.db2.gz XTOOEIHOLZGYIL-PCKAHOCUSA-N 2 1 336.442 3.323 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CC[N@H+]1C ZINC000180707471 455230982 /nfs/dbraw/zinc/23/09/82/455230982.db2.gz BFOVVUUFIPVNES-WFASDCNBSA-N 2 1 334.851 3.005 20 0 EGADMP COC[C@H]1CCCC[N@H+]1CCCCC[NH+]1CCCC[C@H]1COC ZINC000452036849 458492387 /nfs/dbraw/zinc/49/23/87/458492387.db2.gz KMMUOGBDVZFAOE-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP COC[C@H]1CCCC[NH+]1CCCCC[N@@H+]1CCCC[C@H]1COC ZINC000452036849 458492392 /nfs/dbraw/zinc/49/23/92/458492392.db2.gz KMMUOGBDVZFAOE-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP COC[C@H]1CCCC[NH+]1CCCCC[N@H+]1CCCC[C@H]1COC ZINC000452036849 458492396 /nfs/dbraw/zinc/49/23/96/458492396.db2.gz KMMUOGBDVZFAOE-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)CN[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000567059405 459041423 /nfs/dbraw/zinc/04/14/23/459041423.db2.gz XOGYMAVMDQEJSW-BLLLJJGKSA-N 2 1 331.287 3.347 20 0 EGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000183307705 455276031 /nfs/dbraw/zinc/27/60/31/455276031.db2.gz GORYEUFGWZHCQR-IRXDYDNUSA-N 2 1 348.487 3.154 20 0 EGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000183307705 455276033 /nfs/dbraw/zinc/27/60/33/455276033.db2.gz GORYEUFGWZHCQR-IRXDYDNUSA-N 2 1 348.487 3.154 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265476917 455332189 /nfs/dbraw/zinc/33/21/89/455332189.db2.gz JSNMMNZIQBASGN-GFCCVEGCSA-N 2 1 332.835 3.270 20 0 EGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000245572412 455332721 /nfs/dbraw/zinc/33/27/21/455332721.db2.gz CIDGISHJSOOYEI-NBOOPKSLSA-N 2 1 334.504 3.201 20 0 EGADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000081408760 453869611 /nfs/dbraw/zinc/86/96/11/453869611.db2.gz IEEHQOCEOIPMHE-INIZCTEOSA-N 2 1 338.455 3.239 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000040622518 453953133 /nfs/dbraw/zinc/95/31/33/453953133.db2.gz XTXOODXZQGVHJU-LBPRGKRZSA-N 2 1 329.257 3.408 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000040622518 453953136 /nfs/dbraw/zinc/95/31/36/453953136.db2.gz XTXOODXZQGVHJU-LBPRGKRZSA-N 2 1 329.257 3.408 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000084381355 453986809 /nfs/dbraw/zinc/98/68/09/453986809.db2.gz ZGLXPFKQCDOLKP-UHFFFAOYSA-N 2 1 348.516 3.049 20 0 EGADMP CC[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076425758 454000226 /nfs/dbraw/zinc/00/02/26/454000226.db2.gz NFGMUCDIEMWDEJ-FQEVSTJZSA-N 2 1 343.515 3.163 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000068354973 454019454 /nfs/dbraw/zinc/01/94/54/454019454.db2.gz IBEACNRJVJSCRS-HXUWFJFHSA-N 2 1 339.483 3.422 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000068354973 454019456 /nfs/dbraw/zinc/01/94/56/454019456.db2.gz IBEACNRJVJSCRS-HXUWFJFHSA-N 2 1 339.483 3.422 20 0 EGADMP CCc1ccc(-c2noc(C[NH+]3CCC(CC[NH+](C)C)CC3)n2)cc1 ZINC000056525167 454065315 /nfs/dbraw/zinc/06/53/15/454065315.db2.gz IPUGURVOPJUYDE-UHFFFAOYSA-N 2 1 342.487 3.463 20 0 EGADMP CN(c1ccccc1C[N@@H+](C)[C@@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000095982491 454249469 /nfs/dbraw/zinc/24/94/69/454249469.db2.gz XLRHBVUWGHLNAN-GOSISDBHSA-N 2 1 333.545 3.154 20 0 EGADMP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000096003527 454259833 /nfs/dbraw/zinc/25/98/33/454259833.db2.gz YKDVPLKSZMDAST-GHTZIAJQSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000096003527 454259837 /nfs/dbraw/zinc/25/98/37/454259837.db2.gz YKDVPLKSZMDAST-GHTZIAJQSA-N 2 1 329.532 3.219 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCn2cnnc2C2CC2)cc1 ZINC000090032684 454264789 /nfs/dbraw/zinc/26/47/89/454264789.db2.gz ZZCJGIUYUQDFOR-AWEZNQCLSA-N 2 1 336.443 3.000 20 0 EGADMP C[C@H](O)CC(C)(C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090084430 454275553 /nfs/dbraw/zinc/27/55/53/454275553.db2.gz QMVOTYVVILHUGS-INIZCTEOSA-N 2 1 336.495 3.219 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000090522490 454316530 /nfs/dbraw/zinc/31/65/30/454316530.db2.gz IUWAJEPYHYGNIJ-AGRHKRQWSA-N 2 1 338.442 3.383 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)COc2ccccc2)C1 ZINC000072974765 454374203 /nfs/dbraw/zinc/37/42/03/454374203.db2.gz SMHGVROTHWUYKZ-AQNXPRMDSA-N 2 1 346.515 3.013 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)COc2ccccc2)C1 ZINC000072974765 454374208 /nfs/dbraw/zinc/37/42/08/454374208.db2.gz SMHGVROTHWUYKZ-AQNXPRMDSA-N 2 1 346.515 3.013 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2)C1 ZINC000072974765 454374211 /nfs/dbraw/zinc/37/42/11/454374211.db2.gz SMHGVROTHWUYKZ-AQNXPRMDSA-N 2 1 346.515 3.013 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2)C1 ZINC000072974765 454374214 /nfs/dbraw/zinc/37/42/14/454374214.db2.gz SMHGVROTHWUYKZ-AQNXPRMDSA-N 2 1 346.515 3.013 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000062427009 454376236 /nfs/dbraw/zinc/37/62/36/454376236.db2.gz MEIUSRFHUNIAOJ-SFHVURJKSA-N 2 1 339.483 3.481 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000062427009 454376239 /nfs/dbraw/zinc/37/62/39/454376239.db2.gz MEIUSRFHUNIAOJ-SFHVURJKSA-N 2 1 339.483 3.481 20 0 EGADMP CCc1nc2c(s1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCC2 ZINC000132970864 454381852 /nfs/dbraw/zinc/38/18/52/454381852.db2.gz HPBZNRDNIHCWNP-GOEBONIOSA-N 2 1 349.544 3.173 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000073033989 454384619 /nfs/dbraw/zinc/38/46/19/454384619.db2.gz CSVXABYBINKYTO-FXAWDEMLSA-N 2 1 343.515 3.059 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N2CCC(C)CC2)cc1 ZINC000097033722 454392289 /nfs/dbraw/zinc/39/22/89/454392289.db2.gz KOPSIEFZICMGJL-MRXNPFEDSA-N 2 1 340.471 3.090 20 0 EGADMP CCN(CC)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000079303755 454394860 /nfs/dbraw/zinc/39/48/60/454394860.db2.gz XBTIUVFGVWBVSS-ROUUACIJSA-N 2 1 345.531 3.408 20 0 EGADMP CCC(CC)[C@@H](CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)[NH+](C)C ZINC000133146659 454396833 /nfs/dbraw/zinc/39/68/33/454396833.db2.gz KLXSRHYJIFKITM-DZFGPLHGSA-N 2 1 346.563 3.248 20 0 EGADMP CCC(CC)[C@@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)[NH+](C)C ZINC000133146659 454396837 /nfs/dbraw/zinc/39/68/37/454396837.db2.gz KLXSRHYJIFKITM-DZFGPLHGSA-N 2 1 346.563 3.248 20 0 EGADMP COc1ccccc1[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CCCC1 ZINC000091306421 454425238 /nfs/dbraw/zinc/42/52/38/454425238.db2.gz RFHANKFUVAANRE-OAQYLSRUSA-N 2 1 346.515 3.363 20 0 EGADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2cccc(C)c2C)CC1 ZINC000047978677 454428484 /nfs/dbraw/zinc/42/84/84/454428484.db2.gz GRAKXLBCNBEOPI-UHFFFAOYSA-N 2 1 331.504 3.296 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000121432658 454434416 /nfs/dbraw/zinc/43/44/16/454434416.db2.gz ZCXZYVITXSXLIX-UONOGXRCSA-N 2 1 340.471 3.408 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000098144373 454462509 /nfs/dbraw/zinc/46/25/09/454462509.db2.gz OYBKCCBZOYQBFS-PBHICJAKSA-N 2 1 344.421 3.449 20 0 EGADMP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCCC[C@@H]1C ZINC000064026232 454463738 /nfs/dbraw/zinc/46/37/38/454463738.db2.gz OOQDFHJKCSERPK-ROUUACIJSA-N 2 1 343.515 3.275 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000091824406 454477067 /nfs/dbraw/zinc/47/70/67/454477067.db2.gz XMZGMEQLVNDOBH-IBGZPJMESA-N 2 1 329.488 3.138 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000091888466 454484544 /nfs/dbraw/zinc/48/45/44/454484544.db2.gz CBWDBASBSAKCJT-UHFFFAOYSA-N 2 1 331.435 3.402 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000134094110 454502856 /nfs/dbraw/zinc/50/28/56/454502856.db2.gz ZSOOGCPXJHZKOY-HUUCEWRRSA-N 2 1 331.495 3.062 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc([S@](C)=O)cc2)CC1 ZINC000134172906 454511524 /nfs/dbraw/zinc/51/15/24/454511524.db2.gz WMKJPEUWRFQBRQ-HSZRJFAPSA-N 2 1 336.545 3.368 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cnc2ccccn12 ZINC000092821306 454639718 /nfs/dbraw/zinc/63/97/18/454639718.db2.gz QHEGPFIONODIML-UHFFFAOYSA-N 2 1 349.482 3.468 20 0 EGADMP CC(C)c1nnc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000092821265 454640124 /nfs/dbraw/zinc/64/01/24/454640124.db2.gz PZVVENSVRPJCJR-UHFFFAOYSA-N 2 1 343.475 3.327 20 0 EGADMP CC(C)c1nnc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000092821265 454640127 /nfs/dbraw/zinc/64/01/27/454640127.db2.gz PZVVENSVRPJCJR-UHFFFAOYSA-N 2 1 343.475 3.327 20 0 EGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1nccs1 ZINC000093396898 454711569 /nfs/dbraw/zinc/71/15/69/454711569.db2.gz XQSYXURDTAMWEN-FUHWJXTLSA-N 2 1 344.528 3.173 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000124389335 454727504 /nfs/dbraw/zinc/72/75/04/454727504.db2.gz MGYLJMJQXBLODO-SFHVURJKSA-N 2 1 333.520 3.156 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000093692994 454730723 /nfs/dbraw/zinc/73/07/23/454730723.db2.gz VWQHFGWQANCEGS-MRXNPFEDSA-N 2 1 326.431 3.494 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000093692994 454730725 /nfs/dbraw/zinc/73/07/25/454730725.db2.gz VWQHFGWQANCEGS-MRXNPFEDSA-N 2 1 326.431 3.494 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000124472960 454737389 /nfs/dbraw/zinc/73/73/89/454737389.db2.gz WLYBIYHYAHAVIZ-MSOLQXFVSA-N 2 1 347.547 3.050 20 0 EGADMP CCOc1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000124529084 454744475 /nfs/dbraw/zinc/74/44/75/454744475.db2.gz RZMJZUSEYDYZHB-KRWDZBQOSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCCC2)CC[N@H+]1C ZINC000153027276 454754058 /nfs/dbraw/zinc/75/40/58/454754058.db2.gz WGIBINUPBJKMOQ-CVEARBPZSA-N 2 1 339.524 3.286 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000124869942 454777573 /nfs/dbraw/zinc/77/75/73/454777573.db2.gz HCZVATMSOFFFEO-UHFFFAOYSA-N 2 1 328.460 3.077 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000124869942 454777575 /nfs/dbraw/zinc/77/75/75/454777575.db2.gz HCZVATMSOFFFEO-UHFFFAOYSA-N 2 1 328.460 3.077 20 0 EGADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000153599431 454810597 /nfs/dbraw/zinc/81/05/97/454810597.db2.gz RVPLUHPVOJCVOV-PXNSSMCTSA-N 2 1 329.532 3.407 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCNc2ncc(Cl)cc2Cl)[C@H](C)C1 ZINC000163104537 454823169 /nfs/dbraw/zinc/82/31/69/454823169.db2.gz FNWWXOPLIGAUGL-BXUZGUMPSA-N 2 1 331.291 3.120 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000635013594 460655868 /nfs/dbraw/zinc/65/58/68/460655868.db2.gz ZMNRCPIHEQKIGO-YSIASYRMSA-N 3 1 329.532 3.265 20 0 EGADMP C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000635013594 460655871 /nfs/dbraw/zinc/65/58/71/460655871.db2.gz ZMNRCPIHEQKIGO-YSIASYRMSA-N 2 1 329.532 3.265 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000109696637 454833430 /nfs/dbraw/zinc/83/34/30/454833430.db2.gz QCWWAKQTKBDWFY-QGZVFWFLSA-N 2 1 331.504 3.106 20 0 EGADMP C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000635013594 460655874 /nfs/dbraw/zinc/65/58/74/460655874.db2.gz ZMNRCPIHEQKIGO-YSIASYRMSA-N 2 1 329.532 3.265 20 0 EGADMP CCOc1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000153961366 454852133 /nfs/dbraw/zinc/85/21/33/454852133.db2.gz GLPJYKWKLAAEIW-OALUTQOASA-N 2 1 345.531 3.076 20 0 EGADMP COCC[N@@H+](C)CCCN[C@H](C)c1ccc(Br)cc1F ZINC000125863810 454852712 /nfs/dbraw/zinc/85/27/12/454852712.db2.gz HQYBTWWUEMDCFA-GFCCVEGCSA-N 2 1 347.272 3.207 20 0 EGADMP COCCN(C)CCC[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000125863810 454852715 /nfs/dbraw/zinc/85/27/15/454852715.db2.gz HQYBTWWUEMDCFA-GFCCVEGCSA-N 2 1 347.272 3.207 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)nn(-c3ccccc3)c2C)[C@@H](C)C1 ZINC000246387344 455481156 /nfs/dbraw/zinc/48/11/56/455481156.db2.gz APEWIJIQONJMQI-MGPUTAFESA-N 2 1 326.488 3.309 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)nn(-c3ccccc3)c2C)[C@@H](C)C1 ZINC000246387344 455481162 /nfs/dbraw/zinc/48/11/62/455481162.db2.gz APEWIJIQONJMQI-MGPUTAFESA-N 2 1 326.488 3.309 20 0 EGADMP CCC[N@@H+](CC)CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000164408916 454881259 /nfs/dbraw/zinc/88/12/59/454881259.db2.gz HRLPBIMDPDFTPL-UHFFFAOYSA-N 2 1 345.531 3.137 20 0 EGADMP CCc1nc(C)c([C@@H](C)[NH2+]CCCC[NH+]2CCN(CC)CC2)s1 ZINC000154452288 454898009 /nfs/dbraw/zinc/89/80/09/454898009.db2.gz ZAQSRQJPKPOOLS-OAHLLOKOSA-N 2 1 338.565 3.082 20 0 EGADMP CCN1CC[NH+](CCCC[NH2+][C@@H](CC(C)C)c2ccccn2)CC1 ZINC000154454320 454898299 /nfs/dbraw/zinc/89/82/99/454898299.db2.gz TZSLFAOKQXFVER-FQEVSTJZSA-N 2 1 332.536 3.176 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000154471054 454899411 /nfs/dbraw/zinc/89/94/11/454899411.db2.gz KJDKUCKGJULLSV-GOSISDBHSA-N 2 1 329.532 3.244 20 0 EGADMP Cc1noc(C)c1CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000166205431 454909791 /nfs/dbraw/zinc/90/97/91/454909791.db2.gz ZVAJRNYBAOQJAK-LJQANCHMSA-N 2 1 327.472 3.288 20 0 EGADMP Cc1noc(C)c1CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000166205431 454909797 /nfs/dbraw/zinc/90/97/97/454909797.db2.gz ZVAJRNYBAOQJAK-LJQANCHMSA-N 2 1 327.472 3.288 20 0 EGADMP Cc1noc(C)c1CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000166205431 454909803 /nfs/dbraw/zinc/90/98/03/454909803.db2.gz ZVAJRNYBAOQJAK-LJQANCHMSA-N 2 1 327.472 3.288 20 0 EGADMP Cc1noc(C)c1CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000166205431 454909806 /nfs/dbraw/zinc/90/98/06/454909806.db2.gz ZVAJRNYBAOQJAK-LJQANCHMSA-N 2 1 327.472 3.288 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126779638 454918094 /nfs/dbraw/zinc/91/80/94/454918094.db2.gz CFYKILYZZYIVOB-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1cnc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)s1 ZINC000151009986 454925812 /nfs/dbraw/zinc/92/58/12/454925812.db2.gz NIOPVHHAKNHPDA-UHFFFAOYSA-N 2 1 344.528 3.272 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000168246911 454925875 /nfs/dbraw/zinc/92/58/75/454925875.db2.gz YBKZMDSHLAYANT-LLVKDONJSA-N 2 1 327.350 3.358 20 0 EGADMP COc1cccc([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)[NH+]2CCCC2)c1 ZINC000154849142 454936061 /nfs/dbraw/zinc/93/60/61/454936061.db2.gz NWFMYUJINMRXHU-OVQGTLEDSA-N 2 1 345.531 3.150 20 0 EGADMP COc1cccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)N2CCCC2)c1 ZINC000154849142 454936066 /nfs/dbraw/zinc/93/60/66/454936066.db2.gz NWFMYUJINMRXHU-OVQGTLEDSA-N 2 1 345.531 3.150 20 0 EGADMP COc1cccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)N2CCCC2)c1 ZINC000154849142 454936069 /nfs/dbraw/zinc/93/60/69/454936069.db2.gz NWFMYUJINMRXHU-OVQGTLEDSA-N 2 1 345.531 3.150 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000155061112 454959134 /nfs/dbraw/zinc/95/91/34/454959134.db2.gz KGODOHXWDQUZNY-HSALFYBXSA-N 2 1 343.515 3.012 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)ccc2o1 ZINC000178637164 454965546 /nfs/dbraw/zinc/96/55/46/454965546.db2.gz UEUOXEAMAQNYQZ-WBVHZDCISA-N 2 1 342.439 3.136 20 0 EGADMP COC(=O)c1cc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)ccc2o1 ZINC000178637164 454965551 /nfs/dbraw/zinc/96/55/51/454965551.db2.gz UEUOXEAMAQNYQZ-WBVHZDCISA-N 2 1 342.439 3.136 20 0 EGADMP COC(=O)c1cc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)ccc2o1 ZINC000178637164 454965554 /nfs/dbraw/zinc/96/55/54/454965554.db2.gz UEUOXEAMAQNYQZ-WBVHZDCISA-N 2 1 342.439 3.136 20 0 EGADMP COc1cc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc(OC)c1OC ZINC000171141798 455036022 /nfs/dbraw/zinc/03/60/22/455036022.db2.gz OOOBVJHMFZYJKI-GJZGRUSLSA-N 2 1 336.476 3.095 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccnc(Cl)c3)CC2)C[C@H](C)O1 ZINC000171304055 455060311 /nfs/dbraw/zinc/06/03/11/455060311.db2.gz GTMWBEAZIRJNRE-GASCZTMLSA-N 2 1 337.895 3.056 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccnc(Cl)c3)CC2)C[C@H](C)O1 ZINC000171304055 455060314 /nfs/dbraw/zinc/06/03/14/455060314.db2.gz GTMWBEAZIRJNRE-GASCZTMLSA-N 2 1 337.895 3.056 20 0 EGADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152371742 455108787 /nfs/dbraw/zinc/10/87/87/455108787.db2.gz YRCACFPEQHOPEK-QWHCGFSZSA-N 2 1 341.858 3.080 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000180039614 455121141 /nfs/dbraw/zinc/12/11/41/455121141.db2.gz AXVBYSDLMZUKKW-UHFFFAOYSA-N 2 1 344.503 3.133 20 0 EGADMP CN(Cc1cccc(C(=O)N2CCCCC2)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152491943 455126554 /nfs/dbraw/zinc/12/65/54/455126554.db2.gz FJOWPKRJIVSSFK-LJQANCHMSA-N 2 1 343.515 3.086 20 0 EGADMP C[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000152491943 455126557 /nfs/dbraw/zinc/12/65/57/455126557.db2.gz FJOWPKRJIVSSFK-LJQANCHMSA-N 2 1 343.515 3.086 20 0 EGADMP C[N@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000152491943 455126558 /nfs/dbraw/zinc/12/65/58/455126558.db2.gz FJOWPKRJIVSSFK-LJQANCHMSA-N 2 1 343.515 3.086 20 0 EGADMP C[NH+](Cc1cccc(C(=O)N2CCCCC2)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152491943 455126559 /nfs/dbraw/zinc/12/65/59/455126559.db2.gz FJOWPKRJIVSSFK-LJQANCHMSA-N 2 1 343.515 3.086 20 0 EGADMP C[NH+](Cc1cccc(C(=O)N2CCCCC2)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152491943 455126560 /nfs/dbraw/zinc/12/65/60/455126560.db2.gz FJOWPKRJIVSSFK-LJQANCHMSA-N 2 1 343.515 3.086 20 0 EGADMP C[C@H]1C[C@@H](N(C)C(=O)C2([NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000237527573 455192454 /nfs/dbraw/zinc/19/24/54/455192454.db2.gz CENOIXQGBWWDSP-HKUYNNGSSA-N 2 1 343.515 3.160 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3nccn3C)CC2)cs1 ZINC000182949490 455198158 /nfs/dbraw/zinc/19/81/58/455198158.db2.gz SBLRGUHFQBLODD-CQSZACIVSA-N 2 1 347.532 3.002 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000265275206 455303057 /nfs/dbraw/zinc/30/30/57/455303057.db2.gz HHXNSLGQXURMKG-LJQANCHMSA-N 2 1 345.531 3.332 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000265275206 455303059 /nfs/dbraw/zinc/30/30/59/455303059.db2.gz HHXNSLGQXURMKG-LJQANCHMSA-N 2 1 345.531 3.332 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000265275206 455303063 /nfs/dbraw/zinc/30/30/63/455303063.db2.gz HHXNSLGQXURMKG-LJQANCHMSA-N 2 1 345.531 3.332 20 0 EGADMP CC(C)N(C)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000245478965 455310305 /nfs/dbraw/zinc/31/03/05/455310305.db2.gz VYZDIIVUVNZLDJ-ZWKOTPCHSA-N 2 1 345.531 3.263 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccccc3C(C)(C)C)CC[C@H]21 ZINC000158673078 455320894 /nfs/dbraw/zinc/32/08/94/455320894.db2.gz ILTVSAPKTWCXGL-VQIMIIECSA-N 2 1 343.515 3.339 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC[N@@H+]1C ZINC000245587118 455335862 /nfs/dbraw/zinc/33/58/62/455335862.db2.gz JUQVRNOFAVIEOS-RDBSUJKOSA-N 2 1 325.859 3.130 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC[N@H+]1C ZINC000245587118 455335868 /nfs/dbraw/zinc/33/58/68/455335868.db2.gz JUQVRNOFAVIEOS-RDBSUJKOSA-N 2 1 325.859 3.130 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000181536538 455350967 /nfs/dbraw/zinc/35/09/67/455350967.db2.gz PSHDMTSDYCNUKR-IGGJEDBVSA-N 2 1 346.515 3.384 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000181536538 455350971 /nfs/dbraw/zinc/35/09/71/455350971.db2.gz PSHDMTSDYCNUKR-IGGJEDBVSA-N 2 1 346.515 3.384 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000159187759 455358940 /nfs/dbraw/zinc/35/89/40/455358940.db2.gz AQVOHVQNJCTSSF-OAHLLOKOSA-N 2 1 337.483 3.043 20 0 EGADMP CCN(Cc1cccc(OC)n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174485739 455396499 /nfs/dbraw/zinc/39/64/99/455396499.db2.gz HLSGIYWYHHGOHS-LJQANCHMSA-N 2 1 339.483 3.434 20 0 EGADMP C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246010067 455413530 /nfs/dbraw/zinc/41/35/30/455413530.db2.gz KXABKFKKNORICI-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000246298455 455466643 /nfs/dbraw/zinc/46/66/43/455466643.db2.gz NUECUSDUTCWCLV-VQTJNVASSA-N 2 1 345.531 3.441 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000182233654 455467646 /nfs/dbraw/zinc/46/76/46/455467646.db2.gz ZYIICLLUULLJLW-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000182257034 455473699 /nfs/dbraw/zinc/47/36/99/455473699.db2.gz VQYBYGLOHBPJQD-VXKWHMMOSA-N 2 1 336.479 3.494 20 0 EGADMP CN(C)c1cc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)cc[nH+]1 ZINC000267266092 455527206 /nfs/dbraw/zinc/52/72/06/455527206.db2.gz RJMNOFBTTWNNCY-UHFFFAOYSA-N 2 1 338.411 3.208 20 0 EGADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1F ZINC000185270501 455531599 /nfs/dbraw/zinc/53/15/99/455531599.db2.gz BUWIKHPTPYZWAI-HUUCEWRRSA-N 2 1 333.451 3.444 20 0 EGADMP C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247125261 455563422 /nfs/dbraw/zinc/56/34/22/455563422.db2.gz ANPHIEXHDIWNLR-AHRSYUTCSA-N 2 1 343.515 3.052 20 0 EGADMP Cc1ccccc1C1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CCOCC1 ZINC000247137530 455564723 /nfs/dbraw/zinc/56/47/23/455564723.db2.gz SCEYMCGAWXCYLM-WSTZPKSXSA-N 2 1 330.516 3.362 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000247188578 455569891 /nfs/dbraw/zinc/56/98/91/455569891.db2.gz ZUAGGKGEYDPUKJ-LEWJYISDSA-N 2 1 329.532 3.015 20 0 EGADMP C[N@@H+](CCCO)C1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185513425 455571661 /nfs/dbraw/zinc/57/16/61/455571661.db2.gz MRCVRTMKDZLTGN-UHFFFAOYSA-N 2 1 336.442 3.134 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000182721273 455575442 /nfs/dbraw/zinc/57/54/42/455575442.db2.gz YTDVSVYUNJUCIU-KDURUIRLSA-N 2 1 347.522 3.249 20 0 EGADMP Cc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185679129 455594060 /nfs/dbraw/zinc/59/40/60/455594060.db2.gz NOYOJODYPRNYDN-DLBZAZTESA-N 2 1 329.488 3.176 20 0 EGADMP Cc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185679129 455594062 /nfs/dbraw/zinc/59/40/62/455594062.db2.gz NOYOJODYPRNYDN-DLBZAZTESA-N 2 1 329.488 3.176 20 0 EGADMP Cc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185679165 455594290 /nfs/dbraw/zinc/59/42/90/455594290.db2.gz NOYOJODYPRNYDN-IRXDYDNUSA-N 2 1 329.488 3.176 20 0 EGADMP Cc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185679165 455594296 /nfs/dbraw/zinc/59/42/96/455594296.db2.gz NOYOJODYPRNYDN-IRXDYDNUSA-N 2 1 329.488 3.176 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NC1CCCCC1 ZINC000185677170 455594305 /nfs/dbraw/zinc/59/43/05/455594305.db2.gz RPINJMKNWRQZFX-ULQDDVLXSA-N 2 1 335.536 3.066 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)NC1CCCCC1 ZINC000185677170 455594306 /nfs/dbraw/zinc/59/43/06/455594306.db2.gz RPINJMKNWRQZFX-ULQDDVLXSA-N 2 1 335.536 3.066 20 0 EGADMP C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)N1CCCCCC1 ZINC000185705646 455600567 /nfs/dbraw/zinc/60/05/67/455600567.db2.gz JOHLDQXYYIGYRP-OKZBNKHCSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N1CCCCCC1 ZINC000185705646 455600569 /nfs/dbraw/zinc/60/05/69/455600569.db2.gz JOHLDQXYYIGYRP-OKZBNKHCSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)N1CCCCCC1 ZINC000185705646 455600576 /nfs/dbraw/zinc/60/05/76/455600576.db2.gz JOHLDQXYYIGYRP-OKZBNKHCSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185708384 455602140 /nfs/dbraw/zinc/60/21/40/455602140.db2.gz CFJCKUNZRCHDPD-IYOUNJFTSA-N 2 1 338.442 3.241 20 0 EGADMP COc1ccccc1[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)OC(C)C ZINC000185726247 455607188 /nfs/dbraw/zinc/60/71/88/455607188.db2.gz VFFXHVLAGITLMP-HXUWFJFHSA-N 2 1 343.471 3.412 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000284229827 455654094 /nfs/dbraw/zinc/65/40/94/455654094.db2.gz UNFANLQQNZBCPG-GOSISDBHSA-N 2 1 347.503 3.360 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc2ccccc2o1 ZINC000271517061 455668375 /nfs/dbraw/zinc/66/83/75/455668375.db2.gz OWCHIWVLWDIHCV-BMGDILEWSA-N 2 1 328.456 3.461 20 0 EGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000248001066 455669658 /nfs/dbraw/zinc/66/96/58/455669658.db2.gz KJQMWVCPKKZYDY-ZAWLATJESA-N 2 1 333.495 3.421 20 0 EGADMP Cc1noc(CCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000271548934 455680543 /nfs/dbraw/zinc/68/05/43/455680543.db2.gz ZSNRGINUPYLCIC-ZDUSSCGKSA-N 2 1 325.416 3.156 20 0 EGADMP Cc1ccccc1C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000284472684 455691875 /nfs/dbraw/zinc/69/18/75/455691875.db2.gz UMDKMHHFDZUAKO-SFTDATJTSA-N 2 1 330.516 3.143 20 0 EGADMP CSc1cccc(NC(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248179720 455695225 /nfs/dbraw/zinc/69/52/25/455695225.db2.gz WESYGGOQZNJSMR-RLFYNMQTSA-N 2 1 347.528 3.152 20 0 EGADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CCc1cccs1 ZINC000192799366 455696132 /nfs/dbraw/zinc/69/61/32/455696132.db2.gz HZDVWJHLCAYUDS-UHFFFAOYSA-N 2 1 337.577 3.419 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000192847454 455705815 /nfs/dbraw/zinc/70/58/15/455705815.db2.gz PNCFBKGOYOLENT-LSDHHAIUSA-N 2 1 334.460 3.074 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000192847454 455705817 /nfs/dbraw/zinc/70/58/17/455705817.db2.gz PNCFBKGOYOLENT-LSDHHAIUSA-N 2 1 334.460 3.074 20 0 EGADMP C[C@H]1C[C@@H](NC2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268775874 455712619 /nfs/dbraw/zinc/71/26/19/455712619.db2.gz VTUWREHBNUHQLY-PXNSSMCTSA-N 2 1 327.516 3.256 20 0 EGADMP Cc1nn(C)cc1[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268835235 455715940 /nfs/dbraw/zinc/71/59/40/455715940.db2.gz DDGHEJMEPYSMGJ-FTRWYGJKSA-N 2 1 326.488 3.290 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268835235 455715944 /nfs/dbraw/zinc/71/59/44/455715944.db2.gz DDGHEJMEPYSMGJ-FTRWYGJKSA-N 2 1 326.488 3.290 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268835235 455715947 /nfs/dbraw/zinc/71/59/47/455715947.db2.gz DDGHEJMEPYSMGJ-FTRWYGJKSA-N 2 1 326.488 3.290 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)cc1 ZINC000268919426 455730751 /nfs/dbraw/zinc/73/07/51/455730751.db2.gz JRHCVBKQMKJFQN-BEFAXECRSA-N 2 1 344.528 3.269 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000271758411 455749894 /nfs/dbraw/zinc/74/98/94/455749894.db2.gz ZDCTZEZDZOWCSV-PMACEKPBSA-N 2 1 341.503 3.028 20 0 EGADMP Fc1cc(Br)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250757598 455788748 /nfs/dbraw/zinc/78/87/48/455788748.db2.gz RPHOUFZAMJVDHD-CABCVRRESA-N 2 1 327.241 3.305 20 0 EGADMP Fc1cc(Br)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250757598 455788753 /nfs/dbraw/zinc/78/87/53/455788753.db2.gz RPHOUFZAMJVDHD-CABCVRRESA-N 2 1 327.241 3.305 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]Cc2cncc(Br)c2)CC1 ZINC000186586165 455798919 /nfs/dbraw/zinc/79/89/19/455798919.db2.gz BAQLQWFQQHSUFY-UHFFFAOYSA-N 2 1 326.282 3.054 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000269193776 455809026 /nfs/dbraw/zinc/80/90/26/455809026.db2.gz STNCPNBPYCZAHY-MRXNPFEDSA-N 2 1 325.456 3.255 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000269193776 455809027 /nfs/dbraw/zinc/80/90/27/455809027.db2.gz STNCPNBPYCZAHY-MRXNPFEDSA-N 2 1 325.456 3.255 20 0 EGADMP CC(C)[NH+]1CCC(N2CCN(c3cc[nH+]c4ccsc43)CC2)CC1 ZINC000269297907 455831011 /nfs/dbraw/zinc/83/10/11/455831011.db2.gz BCKAFVAVJJACJC-UHFFFAOYSA-N 2 1 344.528 3.291 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000194985189 455910117 /nfs/dbraw/zinc/91/01/17/455910117.db2.gz XWZXAGSAVHBJDT-AEFFLSMTSA-N 2 1 327.476 3.138 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000194985189 455910122 /nfs/dbraw/zinc/91/01/22/455910122.db2.gz XWZXAGSAVHBJDT-AEFFLSMTSA-N 2 1 327.476 3.138 20 0 EGADMP C[C@H](NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272385156 455933544 /nfs/dbraw/zinc/93/35/44/455933544.db2.gz WYYJGJMCYBIQGY-RXVVDRJESA-N 2 1 341.543 3.361 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272385156 455933547 /nfs/dbraw/zinc/93/35/47/455933547.db2.gz WYYJGJMCYBIQGY-RXVVDRJESA-N 3 1 341.543 3.361 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272385156 455933557 /nfs/dbraw/zinc/93/35/57/455933557.db2.gz WYYJGJMCYBIQGY-RXVVDRJESA-N 3 1 341.543 3.361 20 0 EGADMP FC(F)(F)COc1cccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000280320060 455946774 /nfs/dbraw/zinc/94/67/74/455946774.db2.gz QGJMGHRXWPQLSL-JKSUJKDBSA-N 2 1 342.405 3.387 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)[C@@H](C)C2 ZINC000272459028 455957955 /nfs/dbraw/zinc/95/79/55/455957955.db2.gz QOQATECXCBCHGU-FXAWDEMLSA-N 2 1 328.500 3.463 20 0 EGADMP C[C@H](CCCO)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000286066885 455971502 /nfs/dbraw/zinc/97/15/02/455971502.db2.gz LQCXKDLOPJVMTG-GFOJFJKKSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261982516 455981129 /nfs/dbraw/zinc/98/11/29/455981129.db2.gz RPAIZEHKFLRPFI-AAEUAGOBSA-N 2 1 338.377 3.265 20 0 EGADMP C[C@H]([NH2+]CCCOC[C@H]1CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272576578 456001133 /nfs/dbraw/zinc/00/11/33/456001133.db2.gz VTOFJZDOAWJIBX-SESVDKBCSA-N 2 1 346.515 3.072 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C(c1ccccc1)c1ccccc1 ZINC000272622552 456017358 /nfs/dbraw/zinc/01/73/58/456017358.db2.gz JARCFUPTGNXIDO-UHFFFAOYSA-N 2 1 337.511 3.345 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000286308049 456020316 /nfs/dbraw/zinc/02/03/16/456020316.db2.gz XALTULDYYHDXCV-NVXWUHKLSA-N 2 1 334.504 3.265 20 0 EGADMP Cc1nccn1CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272653812 456027309 /nfs/dbraw/zinc/02/73/09/456027309.db2.gz GHUYVYPEYQIHCD-QHAWAJNXSA-N 2 1 338.499 3.082 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272653812 456027314 /nfs/dbraw/zinc/02/73/14/456027314.db2.gz GHUYVYPEYQIHCD-QHAWAJNXSA-N 3 1 338.499 3.082 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272653812 456027317 /nfs/dbraw/zinc/02/73/17/456027317.db2.gz GHUYVYPEYQIHCD-QHAWAJNXSA-N 3 1 338.499 3.082 20 0 EGADMP CC(C)(CCO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272656999 456028524 /nfs/dbraw/zinc/02/85/24/456028524.db2.gz GWYZKKJMHQPLKI-SLFFLAALSA-N 2 1 330.516 3.285 20 0 EGADMP OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000286358584 456031839 /nfs/dbraw/zinc/03/18/39/456031839.db2.gz ZBOBJEAHNQPOGO-VNXMGFANSA-N 2 1 340.511 3.204 20 0 EGADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000272719537 456051199 /nfs/dbraw/zinc/05/11/99/456051199.db2.gz DWMGUZDVRUZVKV-IPMKNSEASA-N 2 1 348.462 3.007 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@@H]2C)c1 ZINC000280811316 456057273 /nfs/dbraw/zinc/05/72/73/456057273.db2.gz IBMARAWFSMOIAG-KFKAGJAMSA-N 2 1 332.488 3.206 20 0 EGADMP C[C@@H]([NH2+]CCOc1ncccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272810958 456076938 /nfs/dbraw/zinc/07/69/38/456076938.db2.gz NKKNEMPTJJWKDS-SJLPKXTDSA-N 2 1 343.446 3.100 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000281026047 456113948 /nfs/dbraw/zinc/11/39/48/456113948.db2.gz YAOUTNKHZHICBP-OAHLLOKOSA-N 2 1 347.894 3.131 20 0 EGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cscn1 ZINC000271064104 456116369 /nfs/dbraw/zinc/11/63/69/456116369.db2.gz CRNHGYWYYDFPPW-QFBILLFUSA-N 2 1 344.528 3.173 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000263308779 456124367 /nfs/dbraw/zinc/12/43/67/456124367.db2.gz YGSRGQIFDDZRPS-RDPOXOKHSA-N 2 1 343.515 3.063 20 0 EGADMP COCCOCc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000289854553 456157105 /nfs/dbraw/zinc/15/71/05/456157105.db2.gz VNPYYBAKFJADKJ-SFHVURJKSA-N 2 1 334.504 3.204 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000236684793 456168710 /nfs/dbraw/zinc/16/87/10/456168710.db2.gz KZEVHNRPUCPTBN-KRWDZBQOSA-N 2 1 345.531 3.300 20 0 EGADMP CC(C)(C)c1cnc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)s1 ZINC000333174284 456172479 /nfs/dbraw/zinc/17/24/79/456172479.db2.gz QMNYUMBVDBKDRS-HUUCEWRRSA-N 2 1 337.533 3.159 20 0 EGADMP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289919958 456181649 /nfs/dbraw/zinc/18/16/49/456181649.db2.gz VJFUQTWMRWSLGH-LJQANCHMSA-N 2 1 326.488 3.418 20 0 EGADMP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289919958 456181656 /nfs/dbraw/zinc/18/16/56/456181656.db2.gz VJFUQTWMRWSLGH-LJQANCHMSA-N 2 1 326.488 3.418 20 0 EGADMP CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000236774616 456182031 /nfs/dbraw/zinc/18/20/31/456182031.db2.gz LEOCEMQTTOCTFP-VQIMIIECSA-N 2 1 331.504 3.052 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000237131267 456237132 /nfs/dbraw/zinc/23/71/32/456237132.db2.gz BOUGYEUQLOIZGX-NRFANRHFSA-N 2 1 340.511 3.338 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000237152157 456238435 /nfs/dbraw/zinc/23/84/35/456238435.db2.gz BUUPZTSBNCSODH-VQIMIIECSA-N 2 1 343.515 3.195 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)C1CC[NH2+]CC1)C1CCCCC1 ZINC000237166369 456241961 /nfs/dbraw/zinc/24/19/61/456241961.db2.gz AVWLSBTWXMXHJZ-UHFFFAOYSA-N 2 1 329.488 3.389 20 0 EGADMP Cc1ccnc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000342870612 456284743 /nfs/dbraw/zinc/28/47/43/456284743.db2.gz GLZPTPGVRAQGNL-UHFFFAOYSA-N 2 1 336.483 3.273 20 0 EGADMP Cc1ccnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000342870612 456284752 /nfs/dbraw/zinc/28/47/52/456284752.db2.gz GLZPTPGVRAQGNL-UHFFFAOYSA-N 2 1 336.483 3.273 20 0 EGADMP CCCOc1cccc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352765350 456286876 /nfs/dbraw/zinc/28/68/76/456286876.db2.gz NHXCLTKKLQXHRR-UHFFFAOYSA-N 2 1 333.501 3.326 20 0 EGADMP Cc1c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cnn1C ZINC000342874545 456288456 /nfs/dbraw/zinc/28/84/56/456288456.db2.gz QKIBCNSWJOUPSE-UHFFFAOYSA-N 2 1 338.499 3.217 20 0 EGADMP CCN(CC)C(=O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340184273 456297433 /nfs/dbraw/zinc/29/74/33/456297433.db2.gz KAEWCJFIVZKBAU-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CCN(CC)C(=O)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340184273 456297440 /nfs/dbraw/zinc/29/74/40/456297440.db2.gz KAEWCJFIVZKBAU-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275768763 456308354 /nfs/dbraw/zinc/30/83/54/456308354.db2.gz UQFHIFVMPFXRMR-COPCDDAFSA-N 2 1 338.495 3.090 20 0 EGADMP C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275768772 456309034 /nfs/dbraw/zinc/30/90/34/456309034.db2.gz UQFHIFVMPFXRMR-QIJUGHKUSA-N 2 1 338.495 3.090 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)s1 ZINC000352792071 456313756 /nfs/dbraw/zinc/31/37/56/456313756.db2.gz QYTMYMIGXOWOOB-XJKSGUPXSA-N 2 1 325.522 3.136 20 0 EGADMP CC[C@H](C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1)[NH+]1CCCC1 ZINC000275789609 456315088 /nfs/dbraw/zinc/31/50/88/456315088.db2.gz YJNWGPDWIGMRMR-WOJBJXKFSA-N 2 1 341.503 3.182 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)CC[C@H]2c2ccccc2)CC1 ZINC000352800806 456320471 /nfs/dbraw/zinc/32/04/71/456320471.db2.gz PZGOZUTWMVMLSV-PXNSSMCTSA-N 2 1 343.515 3.060 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc4ccccc4[nH]c3=O)C2)CC1 ZINC000290447318 456331718 /nfs/dbraw/zinc/33/17/18/456331718.db2.gz MDRRAYPJTJXTIK-KRWDZBQOSA-N 2 1 325.456 3.104 20 0 EGADMP C[NH+](C)Cc1cnc(CNCc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000352823565 456339286 /nfs/dbraw/zinc/33/92/86/456339286.db2.gz RRRWLTYZTKAIBM-UHFFFAOYSA-N 2 1 344.528 3.090 20 0 EGADMP Cn1cncc1CC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000297997071 456339704 /nfs/dbraw/zinc/33/97/04/456339704.db2.gz ZGHVXJJRXCRZSX-QUCCMNQESA-N 2 1 327.472 3.331 20 0 EGADMP Cc1cn2c(n1)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](c3ccccc3)C1)CCC2 ZINC000340258013 456346659 /nfs/dbraw/zinc/34/66/59/456346659.db2.gz ZDGJMWNKHOELPW-UFYCRDLUSA-N 2 1 338.499 3.494 20 0 EGADMP Cc1cn2c(n1)[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](c3ccccc3)C1)CCC2 ZINC000340258013 456346667 /nfs/dbraw/zinc/34/66/67/456346667.db2.gz ZDGJMWNKHOELPW-UFYCRDLUSA-N 2 1 338.499 3.494 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352851972 456363264 /nfs/dbraw/zinc/36/32/64/456363264.db2.gz JFPHLJOVWGXGNJ-UHFFFAOYSA-N 2 1 349.466 3.274 20 0 EGADMP CC[C@@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000337568515 456387829 /nfs/dbraw/zinc/38/78/29/456387829.db2.gz BJYZBEYTEYYKNK-WOJBJXKFSA-N 2 1 345.531 3.055 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343093232 456402715 /nfs/dbraw/zinc/40/27/15/456402715.db2.gz GVJXGUOHQPKOLP-LJQANCHMSA-N 2 1 335.923 3.335 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298252738 456405450 /nfs/dbraw/zinc/40/54/50/456405450.db2.gz DOCFMGFCHJTOLF-SFHVURJKSA-N 3 1 330.520 3.152 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)n1cncn1 ZINC000290703763 456408785 /nfs/dbraw/zinc/40/87/85/456408785.db2.gz NMXFFPPSTZJMSG-AOIWGVFYSA-N 2 1 341.503 3.044 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)n1cncn1 ZINC000290703763 456408795 /nfs/dbraw/zinc/40/87/95/456408795.db2.gz NMXFFPPSTZJMSG-AOIWGVFYSA-N 2 1 341.503 3.044 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[C@H]1c1ccccc1 ZINC000340371660 456419164 /nfs/dbraw/zinc/41/91/64/456419164.db2.gz DQFKZPCKMHZYJZ-OALUTQOASA-N 2 1 328.500 3.354 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[C@H]1c1ccccc1 ZINC000340371660 456419168 /nfs/dbraw/zinc/41/91/68/456419168.db2.gz DQFKZPCKMHZYJZ-OALUTQOASA-N 2 1 328.500 3.354 20 0 EGADMP Cn1cc(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c(-c2ccccc2Cl)n1 ZINC000352935505 456421620 /nfs/dbraw/zinc/42/16/20/456421620.db2.gz ZJCQPXIIAYTWJJ-KBXCAEBGSA-N 2 1 344.890 3.267 20 0 EGADMP CSC1(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000348011505 456438321 /nfs/dbraw/zinc/43/83/21/456438321.db2.gz SSSSZCRFUZXPND-IYBDPMFKSA-N 2 1 334.529 3.281 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCC23CCOCC3)cn1 ZINC000282199044 456440432 /nfs/dbraw/zinc/44/04/32/456440432.db2.gz NVQDBJAEXYURDE-KRWDZBQOSA-N 2 1 326.444 3.015 20 0 EGADMP c1cnc2c(c1)cccc2OCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298450753 456461709 /nfs/dbraw/zinc/46/17/09/456461709.db2.gz NXUXVRKBCDMIDM-UHFFFAOYSA-N 2 1 325.456 3.220 20 0 EGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282357872 456488661 /nfs/dbraw/zinc/48/86/61/456488661.db2.gz PPOBIPRUBJMNAQ-AWEZNQCLSA-N 2 1 339.911 3.025 20 0 EGADMP FC(F)(F)c1cccc(OCC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298608809 456500452 /nfs/dbraw/zinc/50/04/52/456500452.db2.gz ZVEOPTSIMKOIOC-UHFFFAOYSA-N 2 1 328.378 3.301 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1(c2ccccc2)CCCC1 ZINC000276505038 456500796 /nfs/dbraw/zinc/50/07/96/456500796.db2.gz YMBSZUYDTDAJIB-SFHVURJKSA-N 2 1 330.516 3.323 20 0 EGADMP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000291082684 456522140 /nfs/dbraw/zinc/52/21/40/456522140.db2.gz GRYDEECJAOMHKT-WMLDXEAASA-N 2 1 342.405 3.157 20 0 EGADMP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000291082684 456522143 /nfs/dbraw/zinc/52/21/43/456522143.db2.gz GRYDEECJAOMHKT-WMLDXEAASA-N 2 1 342.405 3.157 20 0 EGADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(F)ccc1F ZINC000282516790 456539076 /nfs/dbraw/zinc/53/90/76/456539076.db2.gz ZJTBKXDQBWKCPS-QGZVFWFLSA-N 2 1 325.447 3.032 20 0 EGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000282529270 456541730 /nfs/dbraw/zinc/54/17/30/456541730.db2.gz ATYYVORVSLWPOV-MRXNPFEDSA-N 2 1 341.503 3.096 20 0 EGADMP CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308400921 456571848 /nfs/dbraw/zinc/57/18/48/456571848.db2.gz WOBONACKABIEFA-OJAHFUOMSA-N 2 1 328.500 3.444 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000310868244 456585813 /nfs/dbraw/zinc/58/58/13/456585813.db2.gz YNECAMIORQELIC-CRAIPNDOSA-N 2 1 347.503 3.284 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2cnn(C)c2)c1 ZINC000282880457 456653819 /nfs/dbraw/zinc/65/38/19/456653819.db2.gz WPENCKUBGZZGGH-SFHVURJKSA-N 2 1 338.499 3.313 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353389347 456667715 /nfs/dbraw/zinc/66/77/15/456667715.db2.gz VFFFCMJGEXNUSX-VAMGGRTRSA-N 2 1 342.462 3.282 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000338169108 456680326 /nfs/dbraw/zinc/68/03/26/456680326.db2.gz ILCLOTPZEIVNQW-OXJNMPFZSA-N 2 1 335.455 3.191 20 0 EGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000343522828 456681336 /nfs/dbraw/zinc/68/13/36/456681336.db2.gz KLLQRRPVZCDBJK-XLIONFOSSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000343522828 456681340 /nfs/dbraw/zinc/68/13/40/456681340.db2.gz KLLQRRPVZCDBJK-XLIONFOSSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000343522828 456681347 /nfs/dbraw/zinc/68/13/47/456681347.db2.gz KLLQRRPVZCDBJK-XLIONFOSSA-N 2 1 343.515 3.030 20 0 EGADMP COc1ccc([C@@H](CNc2cc[nH+]cc2Cl)[NH+](C)C)cc1OC ZINC000277134406 456693880 /nfs/dbraw/zinc/69/38/80/456693880.db2.gz PUJSXKLDYXDJKL-OAHLLOKOSA-N 2 1 335.835 3.467 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000343586089 456724811 /nfs/dbraw/zinc/72/48/11/456724811.db2.gz PEGYZSZJJHCMOF-HDICACEKSA-N 2 1 345.531 3.121 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000343586089 456724819 /nfs/dbraw/zinc/72/48/19/456724819.db2.gz PEGYZSZJJHCMOF-HDICACEKSA-N 2 1 345.531 3.121 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000343586089 456724825 /nfs/dbraw/zinc/72/48/25/456724825.db2.gz PEGYZSZJJHCMOF-HDICACEKSA-N 2 1 345.531 3.121 20 0 EGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CS1 ZINC000277228885 456734454 /nfs/dbraw/zinc/73/44/54/456734454.db2.gz MCGUGQNBQCTQIS-QRVBRYPASA-N 2 1 348.556 3.263 20 0 EGADMP CC(C)(C)[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000343806811 456775196 /nfs/dbraw/zinc/77/51/96/456775196.db2.gz FHJRDXAQAWQWEC-TZIWHRDSSA-N 2 1 330.516 3.382 20 0 EGADMP Cc1cc(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)c2ccccc2[nH+]1 ZINC000301092357 456793958 /nfs/dbraw/zinc/79/39/58/456793958.db2.gz NCRQTQAFKPJVST-IBGZPJMESA-N 2 1 347.462 3.374 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[NH+](CC)CC ZINC000344211441 456807418 /nfs/dbraw/zinc/80/74/18/456807418.db2.gz BKIJSMCCBARTEE-SJORKVTESA-N 2 1 339.911 3.179 20 0 EGADMP Cc1nccn1CCC[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000348756631 456842999 /nfs/dbraw/zinc/84/29/99/456842999.db2.gz PQYGDXDRTFKCHP-LEWJYISDSA-N 2 1 340.515 3.254 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000348756631 456843003 /nfs/dbraw/zinc/84/30/03/456843003.db2.gz PQYGDXDRTFKCHP-LEWJYISDSA-N 3 1 340.515 3.254 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000348756631 456843009 /nfs/dbraw/zinc/84/30/09/456843009.db2.gz PQYGDXDRTFKCHP-LEWJYISDSA-N 3 1 340.515 3.254 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1c(C)nc2sc(C)nn12 ZINC000344806929 456862065 /nfs/dbraw/zinc/86/20/65/456862065.db2.gz GIAPYQDXYKCACS-HZPDHXFCSA-N 2 1 349.548 3.398 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1C ZINC000353754159 456891359 /nfs/dbraw/zinc/89/13/59/456891359.db2.gz YJNWZRYLXAIXOW-DZGCQCFKSA-N 2 1 338.879 3.416 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1C ZINC000353754159 456891361 /nfs/dbraw/zinc/89/13/61/456891361.db2.gz YJNWZRYLXAIXOW-DZGCQCFKSA-N 2 1 338.879 3.416 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1C ZINC000353754159 456891364 /nfs/dbraw/zinc/89/13/64/456891364.db2.gz YJNWZRYLXAIXOW-DZGCQCFKSA-N 2 1 338.879 3.416 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1C ZINC000353754159 456891366 /nfs/dbraw/zinc/89/13/66/456891366.db2.gz YJNWZRYLXAIXOW-DZGCQCFKSA-N 2 1 338.879 3.416 20 0 EGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000339044905 456913675 /nfs/dbraw/zinc/91/36/75/456913675.db2.gz QAQQRUFPEFSWTA-DFQSSKMNSA-N 2 1 331.504 3.197 20 0 EGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000339044905 456913677 /nfs/dbraw/zinc/91/36/77/456913677.db2.gz QAQQRUFPEFSWTA-DFQSSKMNSA-N 2 1 331.504 3.197 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000339066874 456924500 /nfs/dbraw/zinc/92/45/00/456924500.db2.gz LCFFDSYMIDHFOW-GJZGRUSLSA-N 2 1 338.879 3.464 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000339066874 456924502 /nfs/dbraw/zinc/92/45/02/456924502.db2.gz LCFFDSYMIDHFOW-GJZGRUSLSA-N 2 1 338.879 3.464 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccccc2N2CC[NH+](CC)CC2)CCS1 ZINC000353854916 456937199 /nfs/dbraw/zinc/93/71/99/456937199.db2.gz AWNWYZZYYAAKAZ-SFHVURJKSA-N 2 1 333.545 3.156 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3[nH+]cnc4[nH]ccc43)cc2)C1 ZINC000339138919 456960203 /nfs/dbraw/zinc/96/02/03/456960203.db2.gz RBBVZDHWFYBOSU-HZPDHXFCSA-N 2 1 349.482 3.470 20 0 EGADMP C[C@H](Cn1cccn1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000345205243 456966611 /nfs/dbraw/zinc/96/66/11/456966611.db2.gz JVGGGQVAGNXXHA-MSOLQXFVSA-N 2 1 326.488 3.436 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000353934817 456971899 /nfs/dbraw/zinc/97/18/99/456971899.db2.gz YIEQNPVYPMFFCQ-FZCLSBEQSA-N 2 1 332.488 3.412 20 0 EGADMP CCc1nc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc(C)[nH+]1 ZINC000341855815 456973060 /nfs/dbraw/zinc/97/30/60/456973060.db2.gz YEKNWFVGZBHTMG-OAHLLOKOSA-N 2 1 330.501 3.155 20 0 EGADMP CCc1nc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc(C)[nH+]1 ZINC000341855815 456973064 /nfs/dbraw/zinc/97/30/64/456973064.db2.gz YEKNWFVGZBHTMG-OAHLLOKOSA-N 2 1 330.501 3.155 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCOCC1 ZINC000341907412 456994956 /nfs/dbraw/zinc/99/49/56/456994956.db2.gz WXMURBNYFDOQHA-SFTDATJTSA-N 2 1 346.515 3.072 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCOCC1 ZINC000341907412 456994961 /nfs/dbraw/zinc/99/49/61/456994961.db2.gz WXMURBNYFDOQHA-SFTDATJTSA-N 2 1 346.515 3.072 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000345848397 457001295 /nfs/dbraw/zinc/00/12/95/457001295.db2.gz PGZDHQXERQKTNV-QGZVFWFLSA-N 2 1 334.508 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000345848397 457001304 /nfs/dbraw/zinc/00/13/04/457001304.db2.gz PGZDHQXERQKTNV-QGZVFWFLSA-N 2 1 334.508 3.167 20 0 EGADMP Cc1cccc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000358868900 457014456 /nfs/dbraw/zinc/01/44/56/457014456.db2.gz DRBRYSLRJTVRNO-OALUTQOASA-N 2 1 346.515 3.085 20 0 EGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000354035271 457023798 /nfs/dbraw/zinc/02/37/98/457023798.db2.gz WTYIUBGJQRRIHM-UHFFFAOYSA-N 2 1 326.431 3.288 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000339260931 457025590 /nfs/dbraw/zinc/02/55/90/457025590.db2.gz OBWGEBKSOAMOAQ-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)s1 ZINC000356680855 457116000 /nfs/dbraw/zinc/11/60/00/457116000.db2.gz QAGUYLVOGYELRB-CYBMUJFWSA-N 2 1 337.533 3.308 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C34CCC[NH+]3CCC4)cc2)C1 ZINC000339435715 457117555 /nfs/dbraw/zinc/11/75/55/457117555.db2.gz AWPCKQWQHIDBNZ-QGZVFWFLSA-N 2 1 341.499 3.485 20 0 EGADMP C[C@@H](CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000359948553 457164692 /nfs/dbraw/zinc/16/46/92/457164692.db2.gz BMFPUIKYLOLXHB-JKBKZWBZSA-N 2 1 344.547 3.145 20 0 EGADMP C[C@@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000359948553 457164697 /nfs/dbraw/zinc/16/46/97/457164697.db2.gz BMFPUIKYLOLXHB-JKBKZWBZSA-N 2 1 344.547 3.145 20 0 EGADMP C[C@@H](CN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000359948553 457164701 /nfs/dbraw/zinc/16/47/01/457164701.db2.gz BMFPUIKYLOLXHB-JKBKZWBZSA-N 2 1 344.547 3.145 20 0 EGADMP C[C@@H](CN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000359948553 457164706 /nfs/dbraw/zinc/16/47/06/457164706.db2.gz BMFPUIKYLOLXHB-JKBKZWBZSA-N 2 1 344.547 3.145 20 0 EGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)sc1Br ZINC000346852787 457185542 /nfs/dbraw/zinc/18/55/42/457185542.db2.gz LHFCNPRTFMEXKQ-CYZMBNFOSA-N 2 1 329.307 3.378 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000356810259 457179753 /nfs/dbraw/zinc/17/97/53/457179753.db2.gz KYRVQCDRFSBEBN-SJORKVTESA-N 2 1 333.520 3.180 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)sc1Br ZINC000346852787 457185539 /nfs/dbraw/zinc/18/55/39/457185539.db2.gz LHFCNPRTFMEXKQ-CYZMBNFOSA-N 2 1 329.307 3.378 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000356870453 457187540 /nfs/dbraw/zinc/18/75/40/457187540.db2.gz SQCDDKSAGLLCOT-OXJNMPFZSA-N 2 1 325.456 3.090 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC000354494475 457256815 /nfs/dbraw/zinc/25/68/15/457256815.db2.gz GEAUZTITBUJGOX-HNJRGHQBSA-N 2 1 346.515 3.464 20 0 EGADMP Cc1cnc([C@@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000357011732 457276347 /nfs/dbraw/zinc/27/63/47/457276347.db2.gz YAVUFZKARWDXDB-IXDOHACOSA-N 2 1 335.492 3.255 20 0 EGADMP Cc1cnc([C@@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000357011732 457276353 /nfs/dbraw/zinc/27/63/53/457276353.db2.gz YAVUFZKARWDXDB-IXDOHACOSA-N 2 1 335.492 3.255 20 0 EGADMP C[C@@H]1CCCN(C(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1 ZINC000357021736 457283295 /nfs/dbraw/zinc/28/32/95/457283295.db2.gz ZGIPXDPZQPNBOH-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CCC[C@H]1CCN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357028369 457286122 /nfs/dbraw/zinc/28/61/22/457286122.db2.gz UTQHDRPQFJKIGR-SFHVURJKSA-N 2 1 328.456 3.031 20 0 EGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357028369 457286126 /nfs/dbraw/zinc/28/61/26/457286126.db2.gz UTQHDRPQFJKIGR-SFHVURJKSA-N 2 1 328.456 3.031 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357028369 457286128 /nfs/dbraw/zinc/28/61/28/457286128.db2.gz UTQHDRPQFJKIGR-SFHVURJKSA-N 2 1 328.456 3.031 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357028369 457286132 /nfs/dbraw/zinc/28/61/32/457286132.db2.gz UTQHDRPQFJKIGR-SFHVURJKSA-N 2 1 328.456 3.031 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357028369 457286136 /nfs/dbraw/zinc/28/61/36/457286136.db2.gz UTQHDRPQFJKIGR-SFHVURJKSA-N 2 1 328.456 3.031 20 0 EGADMP CC(C)[NH+](CCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC000357057117 457302598 /nfs/dbraw/zinc/30/25/98/457302598.db2.gz IMYVTGWRMBJFQO-GOSISDBHSA-N 2 1 337.552 3.218 20 0 EGADMP CN(Cc1cc(Cl)c2c(c1)OCCCO2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000351601684 457306211 /nfs/dbraw/zinc/30/62/11/457306211.db2.gz OBGGSKOIZBHMAR-CQSZACIVSA-N 2 1 338.879 3.275 20 0 EGADMP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000351601684 457306214 /nfs/dbraw/zinc/30/62/14/457306214.db2.gz OBGGSKOIZBHMAR-CQSZACIVSA-N 2 1 338.879 3.275 20 0 EGADMP C[N@H+](Cc1cc(Cl)c2c(c1)OCCCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000351601684 457306219 /nfs/dbraw/zinc/30/62/19/457306219.db2.gz OBGGSKOIZBHMAR-CQSZACIVSA-N 2 1 338.879 3.275 20 0 EGADMP COc1cc(C)[nH+]c(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000339844367 457306381 /nfs/dbraw/zinc/30/63/81/457306381.db2.gz VROSQRLGRTXHPE-SFHVURJKSA-N 2 1 331.504 3.343 20 0 EGADMP C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357090431 457316911 /nfs/dbraw/zinc/31/69/11/457316911.db2.gz VPMLIZYMNNXGGD-JSGCOSHPSA-N 2 1 332.473 3.181 20 0 EGADMP Cn1c2cc(Cl)ccc2nc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357091745 457317315 /nfs/dbraw/zinc/31/73/15/457317315.db2.gz WTLWFPCIHPYAOA-CQSZACIVSA-N 2 1 332.879 3.048 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@@H]1CCC2(CCCCC2)O1 ZINC000342629610 457414882 /nfs/dbraw/zinc/41/48/82/457414882.db2.gz HWGPFMDMFQCQCT-FCGDIQPGSA-N 2 1 336.520 3.052 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N(C)CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000356166935 457501512 /nfs/dbraw/zinc/50/15/12/457501512.db2.gz PCXIHCMGELHVCN-LJQANCHMSA-N 2 1 333.520 3.257 20 0 EGADMP Cc1ccc(C)c(NC(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000374179445 457511037 /nfs/dbraw/zinc/51/10/37/457511037.db2.gz SXVXNCFVGATKPW-UHFFFAOYSA-N 2 1 329.488 3.050 20 0 EGADMP CCCN(CC[NH+]1CCCCC1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000342802830 457534917 /nfs/dbraw/zinc/53/49/17/457534917.db2.gz QXMMEFMUZKARBQ-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1OC(F)F ZINC000404419126 457544496 /nfs/dbraw/zinc/54/44/96/457544496.db2.gz HRFPIOYKTUXWSK-JSGCOSHPSA-N 2 1 328.403 3.246 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)s1 ZINC000352704058 457545266 /nfs/dbraw/zinc/54/52/66/457545266.db2.gz HPBOBMCNGDPWLM-YJBOKZPZSA-N 2 1 331.485 3.072 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c2ccccc2C1 ZINC000361052198 457545570 /nfs/dbraw/zinc/54/55/70/457545570.db2.gz MHYQASXECDQRGA-GHTZIAJQSA-N 2 1 343.515 3.190 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2c[nH]c3nccnc23)CC1)CC(C)C ZINC000356296538 457560166 /nfs/dbraw/zinc/56/01/66/457560166.db2.gz DDSCAWFTMNIDSC-UHFFFAOYSA-N 2 1 343.519 3.490 20 0 EGADMP CC[C@H](C)[C@H](C)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000347649911 457575200 /nfs/dbraw/zinc/57/52/00/457575200.db2.gz NDNTXTBCNZFRMM-OALUTQOASA-N 2 1 345.531 3.054 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000361105687 457584133 /nfs/dbraw/zinc/58/41/33/457584133.db2.gz MNNAYHLDSYBEMV-QUCCMNQESA-N 2 1 326.488 3.164 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000370286954 457608786 /nfs/dbraw/zinc/60/87/86/457608786.db2.gz AHBXJUPBFRCHRQ-IEBWSBKVSA-N 2 1 331.504 3.117 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)cc1)C1CC1 ZINC000356405697 457609779 /nfs/dbraw/zinc/60/97/79/457609779.db2.gz LIPVNLLMSVHHDU-UZLBHIALSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1)C1CC1 ZINC000356405697 457609788 /nfs/dbraw/zinc/60/97/88/457609788.db2.gz LIPVNLLMSVHHDU-UZLBHIALSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1)C1CC1 ZINC000356405697 457609793 /nfs/dbraw/zinc/60/97/93/457609793.db2.gz LIPVNLLMSVHHDU-UZLBHIALSA-N 2 1 343.515 3.083 20 0 EGADMP COCCCn1nccc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000374703058 457691038 /nfs/dbraw/zinc/69/10/38/457691038.db2.gz KMMVCWSOWLJWSQ-UHFFFAOYSA-N 2 1 348.535 3.054 20 0 EGADMP CC(C)[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000358005516 457737434 /nfs/dbraw/zinc/73/74/34/457737434.db2.gz NHZGEQZEPDTZQC-YYWHXJBOSA-N 2 1 329.532 3.142 20 0 EGADMP CC(C)[C@H](CN[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000358005516 457737437 /nfs/dbraw/zinc/73/74/37/457737437.db2.gz NHZGEQZEPDTZQC-YYWHXJBOSA-N 2 1 329.532 3.142 20 0 EGADMP CC(C)[C@H](CN[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000358005516 457737439 /nfs/dbraw/zinc/73/74/39/457737439.db2.gz NHZGEQZEPDTZQC-YYWHXJBOSA-N 2 1 329.532 3.142 20 0 EGADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000358005516 457737440 /nfs/dbraw/zinc/73/74/40/457737440.db2.gz NHZGEQZEPDTZQC-YYWHXJBOSA-N 2 1 329.532 3.142 20 0 EGADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000358005516 457737442 /nfs/dbraw/zinc/73/74/42/457737442.db2.gz NHZGEQZEPDTZQC-YYWHXJBOSA-N 2 1 329.532 3.142 20 0 EGADMP CNC(=O)C1CCC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000358021475 457741915 /nfs/dbraw/zinc/74/19/15/457741915.db2.gz NOOFDYMCMXVSCL-RWBZWWBESA-N 2 1 340.471 3.136 20 0 EGADMP CCOc1cc2[nH+]ccc(N3CC[N@@H+](C)C[C@@H]3C)c2cc1OCC ZINC000443441158 457765040 /nfs/dbraw/zinc/76/50/40/457765040.db2.gz WIYCMFBKJVWWPU-AWEZNQCLSA-N 2 1 329.444 3.173 20 0 EGADMP C[C@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCC1 ZINC000457624323 457769696 /nfs/dbraw/zinc/76/96/96/457769696.db2.gz HJWYHTWOYCEODD-KRWDZBQOSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000358086115 457777793 /nfs/dbraw/zinc/77/77/93/457777793.db2.gz OEXNSGGLQFVEGY-CABCVRRESA-N 2 1 338.459 3.068 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccnc(C[NH3+])c2)cc1 ZINC000361611388 457804984 /nfs/dbraw/zinc/80/49/84/457804984.db2.gz RQNNPOSHAMTJDO-HNNXBMFYSA-N 2 1 338.455 3.167 20 0 EGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC000371153660 457809825 /nfs/dbraw/zinc/80/98/25/457809825.db2.gz BSTNEWSULKXLLL-UHFFFAOYSA-N 2 1 347.522 3.454 20 0 EGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(F)cc1 ZINC000371153660 457809831 /nfs/dbraw/zinc/80/98/31/457809831.db2.gz BSTNEWSULKXLLL-UHFFFAOYSA-N 3 1 347.522 3.454 20 0 EGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(F)cc1 ZINC000371153660 457809837 /nfs/dbraw/zinc/80/98/37/457809837.db2.gz BSTNEWSULKXLLL-UHFFFAOYSA-N 3 1 347.522 3.454 20 0 EGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC000371158652 457812853 /nfs/dbraw/zinc/81/28/53/457812853.db2.gz VOCXPDXXSLWENE-UHFFFAOYSA-N 3 1 347.522 3.454 20 0 EGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(F)c1 ZINC000371158652 457812861 /nfs/dbraw/zinc/81/28/61/457812861.db2.gz VOCXPDXXSLWENE-UHFFFAOYSA-N 3 1 347.522 3.454 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366486762 457826927 /nfs/dbraw/zinc/82/69/27/457826927.db2.gz FKDXLWUXHPINNI-FQEVSTJZSA-N 2 1 342.462 3.156 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366486762 457826933 /nfs/dbraw/zinc/82/69/33/457826933.db2.gz FKDXLWUXHPINNI-FQEVSTJZSA-N 2 1 342.462 3.156 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366486762 457826938 /nfs/dbraw/zinc/82/69/38/457826938.db2.gz FKDXLWUXHPINNI-FQEVSTJZSA-N 2 1 342.462 3.156 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366486762 457826941 /nfs/dbraw/zinc/82/69/41/457826941.db2.gz FKDXLWUXHPINNI-FQEVSTJZSA-N 2 1 342.462 3.156 20 0 EGADMP CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411201777 457827959 /nfs/dbraw/zinc/82/79/59/457827959.db2.gz SPIGDKBDJFWQHR-OAQYLSRUSA-N 2 1 343.515 3.021 20 0 EGADMP NC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411220763 457833127 /nfs/dbraw/zinc/83/31/27/457833127.db2.gz SVEKILUFIPQZRJ-SFHVURJKSA-N 2 1 343.515 3.150 20 0 EGADMP NC(=O)CC[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411215556 457833297 /nfs/dbraw/zinc/83/32/97/457833297.db2.gz HRSHPPCUZNZUEN-GOSISDBHSA-N 2 1 343.515 3.150 20 0 EGADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc(OCC(F)(F)F)c(F)c3)C2)C1 ZINC000366536720 457843253 /nfs/dbraw/zinc/84/32/53/457843253.db2.gz TVIUZIXURDJNGH-MRXNPFEDSA-N 2 1 346.368 3.294 20 0 EGADMP Cn1cc([C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)cn1 ZINC000411277526 457848155 /nfs/dbraw/zinc/84/81/55/457848155.db2.gz WWQUAARQGGDGLQ-FQEVSTJZSA-N 2 1 338.499 3.396 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371303400 457857078 /nfs/dbraw/zinc/85/70/78/457857078.db2.gz OJMUYDPMJWAJIP-PGRDOPGGSA-N 2 1 337.511 3.298 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000371310484 457859669 /nfs/dbraw/zinc/85/96/69/457859669.db2.gz LGTFZTIRIJWFCX-MRXNPFEDSA-N 2 1 348.516 3.071 20 0 EGADMP CC[N@H+]1CCC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000358231519 457874502 /nfs/dbraw/zinc/87/45/02/457874502.db2.gz TWDBREZTGCEGKY-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000358231519 457874510 /nfs/dbraw/zinc/87/45/10/457874510.db2.gz TWDBREZTGCEGKY-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000358231519 457874521 /nfs/dbraw/zinc/87/45/21/457874521.db2.gz TWDBREZTGCEGKY-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP CCCCN(CCCC)C(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000358231587 457875452 /nfs/dbraw/zinc/87/54/52/457875452.db2.gz ZTAAPQWJLBZHPP-UHFFFAOYSA-N 2 1 348.535 3.103 20 0 EGADMP CCC[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358254260 457891116 /nfs/dbraw/zinc/89/11/16/457891116.db2.gz PIHZDCIRFCPJJT-JKSUJKDBSA-N 2 1 331.287 3.491 20 0 EGADMP CCC[C@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358254260 457891123 /nfs/dbraw/zinc/89/11/23/457891123.db2.gz PIHZDCIRFCPJJT-JKSUJKDBSA-N 2 1 331.287 3.491 20 0 EGADMP CCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358254260 457891128 /nfs/dbraw/zinc/89/11/28/457891128.db2.gz PIHZDCIRFCPJJT-JKSUJKDBSA-N 2 1 331.287 3.491 20 0 EGADMP CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358254260 457891132 /nfs/dbraw/zinc/89/11/32/457891132.db2.gz PIHZDCIRFCPJJT-JKSUJKDBSA-N 2 1 331.287 3.491 20 0 EGADMP COc1ccccc1-c1ccc([C@H](C)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358254458 457891357 /nfs/dbraw/zinc/89/13/57/457891357.db2.gz PRGLARGTVCUQMJ-HRAATJIYSA-N 2 1 340.467 3.079 20 0 EGADMP COc1ccccc1-c1ccc([C@H](C)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358254458 457891362 /nfs/dbraw/zinc/89/13/62/457891362.db2.gz PRGLARGTVCUQMJ-HRAATJIYSA-N 2 1 340.467 3.079 20 0 EGADMP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358254458 457891366 /nfs/dbraw/zinc/89/13/66/457891366.db2.gz PRGLARGTVCUQMJ-HRAATJIYSA-N 2 1 340.467 3.079 20 0 EGADMP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358254458 457891371 /nfs/dbraw/zinc/89/13/71/457891371.db2.gz PRGLARGTVCUQMJ-HRAATJIYSA-N 2 1 340.467 3.079 20 0 EGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](CCCc2ccccc2)c2ccccc2)C1 ZINC000358263633 457896837 /nfs/dbraw/zinc/89/68/37/457896837.db2.gz XYGQRLIHXPONLA-VXKWHMMOSA-N 2 1 338.495 3.407 20 0 EGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](CCCc2ccccc2)c2ccccc2)C1 ZINC000358263633 457896843 /nfs/dbraw/zinc/89/68/43/457896843.db2.gz XYGQRLIHXPONLA-VXKWHMMOSA-N 2 1 338.495 3.407 20 0 EGADMP CC[N@H+](CCC1CC[NH+]([C@H](C)c2nnnn2C2CC2)CC1)CC(C)C ZINC000361860385 457914321 /nfs/dbraw/zinc/91/43/21/457914321.db2.gz MCPQTRVKAQJRKC-MRXNPFEDSA-N 2 1 348.539 3.149 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2nnnn2C2CC2)CC1)CC(C)C ZINC000361860385 457914324 /nfs/dbraw/zinc/91/43/24/457914324.db2.gz MCPQTRVKAQJRKC-MRXNPFEDSA-N 2 1 348.539 3.149 20 0 EGADMP CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000358321832 457932560 /nfs/dbraw/zinc/93/25/60/457932560.db2.gz RZOVAUWUKHCJSP-KFKAGJAMSA-N 2 1 332.488 3.114 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000367366507 457950937 /nfs/dbraw/zinc/95/09/37/457950937.db2.gz ANZCVYTZPDAFHZ-ACBHZAAOSA-N 2 1 343.515 3.076 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[C@H]2CCC[NH+](C)C2)cc1)C1CC1 ZINC000458171378 457953659 /nfs/dbraw/zinc/95/36/59/457953659.db2.gz PUAUWVHTMXPIIF-QGZVFWFLSA-N 2 1 343.515 3.133 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1)C1CC1 ZINC000458171378 457953664 /nfs/dbraw/zinc/95/36/64/457953664.db2.gz PUAUWVHTMXPIIF-QGZVFWFLSA-N 2 1 343.515 3.133 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1)C1CC1 ZINC000458171378 457953668 /nfs/dbraw/zinc/95/36/68/457953668.db2.gz PUAUWVHTMXPIIF-QGZVFWFLSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458202611 457968370 /nfs/dbraw/zinc/96/83/70/457968370.db2.gz NZBILHPEERAVBV-UHFFFAOYSA-N 2 1 348.516 3.049 20 0 EGADMP CC(C)(C)[C@H](NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1cccs1 ZINC000358503851 458043778 /nfs/dbraw/zinc/04/37/78/458043778.db2.gz HBFJPJXKXVNWNJ-QGZVFWFLSA-N 2 1 349.544 3.027 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1)C1CC1 ZINC000428148495 458086505 /nfs/dbraw/zinc/08/65/05/458086505.db2.gz XULRZZFTEDAFKI-HNAYVOBHSA-N 2 1 329.488 3.013 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000358600190 458101771 /nfs/dbraw/zinc/10/17/71/458101771.db2.gz NUTXDYVHKCLENI-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000435372414 458121844 /nfs/dbraw/zinc/12/18/44/458121844.db2.gz AOWJIIGSSOVVFC-QGZVFWFLSA-N 2 1 346.906 3.243 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000435372414 458121852 /nfs/dbraw/zinc/12/18/52/458121852.db2.gz AOWJIIGSSOVVFC-QGZVFWFLSA-N 2 1 346.906 3.243 20 0 EGADMP COc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])ccc1OCc1ccncc1 ZINC000435369664 458122567 /nfs/dbraw/zinc/12/25/67/458122567.db2.gz FVUIZYIAMYUXKH-UHFFFAOYSA-N 2 1 343.471 3.086 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000435372468 458123061 /nfs/dbraw/zinc/12/30/61/458123061.db2.gz JPXDNKXCIILIID-CVEARBPZSA-N 2 1 326.488 3.339 20 0 EGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000435372547 458123317 /nfs/dbraw/zinc/12/33/17/458123317.db2.gz RWEQPSVMJHLOIY-DLBZAZTESA-N 2 1 347.466 3.103 20 0 EGADMP C[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435614401 458171889 /nfs/dbraw/zinc/17/18/89/458171889.db2.gz FJNXEPMFQOXLMS-OAHLLOKOSA-N 2 1 343.393 3.108 20 0 EGADMP CC[C@@H](CC1CCCC1)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369334844 458176586 /nfs/dbraw/zinc/17/65/86/458176586.db2.gz JEWNDFRUIQKCAH-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](CC1CCCC1)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369334844 458176590 /nfs/dbraw/zinc/17/65/90/458176590.db2.gz JEWNDFRUIQKCAH-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CCn1ccnc1C[N@@H+](CCc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435697812 458186650 /nfs/dbraw/zinc/18/66/50/458186650.db2.gz ZISWMUUBASQLQN-IBGZPJMESA-N 2 1 338.499 3.090 20 0 EGADMP CCn1nc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c2ccccc21 ZINC000372124010 458201210 /nfs/dbraw/zinc/20/12/10/458201210.db2.gz HONQEHAPAWZTAN-INIZCTEOSA-N 2 1 337.471 3.244 20 0 EGADMP CCOc1ccccc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000362508495 458228802 /nfs/dbraw/zinc/22/88/02/458228802.db2.gz YHNSYRUSKMUICA-DLBZAZTESA-N 2 1 347.503 3.219 20 0 EGADMP CCOc1ccccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000362508495 458228812 /nfs/dbraw/zinc/22/88/12/458228812.db2.gz YHNSYRUSKMUICA-DLBZAZTESA-N 2 1 347.503 3.219 20 0 EGADMP CCOc1ccccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000362508495 458228818 /nfs/dbraw/zinc/22/88/18/458228818.db2.gz YHNSYRUSKMUICA-DLBZAZTESA-N 2 1 347.503 3.219 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000362554211 458266748 /nfs/dbraw/zinc/26/67/48/458266748.db2.gz UNSJSJKSSDEOSP-YJBOKZPZSA-N 2 1 340.471 3.191 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000362554211 458266752 /nfs/dbraw/zinc/26/67/52/458266752.db2.gz UNSJSJKSSDEOSP-YJBOKZPZSA-N 2 1 340.471 3.191 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@H](Cc2nc(C)no2)c2ccccc2)CC1 ZINC000429452400 458334985 /nfs/dbraw/zinc/33/49/85/458334985.db2.gz QHNMGNWEDDDABH-GOSISDBHSA-N 2 1 328.460 3.126 20 0 EGADMP O[C@H](C[NH2+][C@H](Cc1ccccc1F)c1ccccc1)C[NH+]1CCCC1 ZINC000429522322 458340114 /nfs/dbraw/zinc/34/01/14/458340114.db2.gz PDABIUHYDMCWFY-TZIWHRDSSA-N 2 1 342.458 3.156 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459406131 458361023 /nfs/dbraw/zinc/36/10/23/458361023.db2.gz KPVNZZVRTUTYQJ-WBVHZDCISA-N 2 1 332.492 3.050 20 0 EGADMP Cc1ccnc(C)c1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376676080 458366626 /nfs/dbraw/zinc/36/66/26/458366626.db2.gz ZLKNHIWZDRIYBJ-GOSISDBHSA-N 2 1 338.455 3.342 20 0 EGADMP O[C@]1(C[NH2+]Cc2ccc(C3CC3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000459441530 458373084 /nfs/dbraw/zinc/37/30/84/458373084.db2.gz WJHBZVDZYOXIDQ-QFIPXVFZSA-N 2 1 336.479 3.291 20 0 EGADMP O[C@]1(C[NH2+]Cc2ccc(C3CC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000459441530 458373087 /nfs/dbraw/zinc/37/30/87/458373087.db2.gz WJHBZVDZYOXIDQ-QFIPXVFZSA-N 2 1 336.479 3.291 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Cl)c1OC ZINC000373067757 458390293 /nfs/dbraw/zinc/39/02/93/458390293.db2.gz INSGLYLUQPYTRR-LSDHHAIUSA-N 2 1 338.879 3.464 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(Cl)c1OC ZINC000373067757 458390296 /nfs/dbraw/zinc/39/02/96/458390296.db2.gz INSGLYLUQPYTRR-LSDHHAIUSA-N 2 1 338.879 3.464 20 0 EGADMP C[C@@H](CC[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1)[NH+]1CCCCC1 ZINC000459490699 458390300 /nfs/dbraw/zinc/39/03/00/458390300.db2.gz XDADKVGSXASGLA-OALUTQOASA-N 2 1 345.531 3.266 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2Cc3ccccc3N(C)C[C@@H]2C)cc1 ZINC000420313449 458398231 /nfs/dbraw/zinc/39/82/31/458398231.db2.gz JCIWQNRHFGNVKV-LPHOPBHVSA-N 2 1 339.483 3.078 20 0 EGADMP FC(F)(F)COc1cccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000459525522 458399741 /nfs/dbraw/zinc/39/97/41/458399741.db2.gz KTAPZNZQCZQHPO-UHFFFAOYSA-N 2 1 342.405 3.387 20 0 EGADMP C[N@@H+](CCCC[NH2+]Cc1cccc(O)c1Br)C1CC1 ZINC000459596505 458423783 /nfs/dbraw/zinc/42/37/83/458423783.db2.gz NLTPQXDCCPMZQM-UHFFFAOYSA-N 2 1 327.266 3.119 20 0 EGADMP C[C@H](NC[C@@H]1[NH2+]CCc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423427317 458431592 /nfs/dbraw/zinc/43/15/92/458431592.db2.gz NTCCBHFXIHWZLD-ZEYPLWLESA-N 2 1 349.522 3.374 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423427317 458431594 /nfs/dbraw/zinc/43/15/94/458431594.db2.gz NTCCBHFXIHWZLD-ZEYPLWLESA-N 2 1 349.522 3.374 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423427317 458431596 /nfs/dbraw/zinc/43/15/96/458431596.db2.gz NTCCBHFXIHWZLD-ZEYPLWLESA-N 2 1 349.522 3.374 20 0 EGADMP COCC[NH+]1CCC([NH2+]CC2(Cc3cccc(Cl)c3)CC2)CC1 ZINC000459684830 458447043 /nfs/dbraw/zinc/44/70/43/458447043.db2.gz DXNKHDAHPWMZIG-UHFFFAOYSA-N 2 1 336.907 3.363 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(OCc2ccccc2)cc1 ZINC000423526323 458450972 /nfs/dbraw/zinc/45/09/72/458450972.db2.gz VCNQUNUJLSOCBQ-DYESRHJHSA-N 2 1 340.467 3.295 20 0 EGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2cc(Br)ccc2C1)C1CCCC1 ZINC000423525015 458451778 /nfs/dbraw/zinc/45/17/78/458451778.db2.gz JYXLQHZPUJRXDY-DLBZAZTESA-N 2 1 337.305 3.414 20 0 EGADMP CCc1ccc([C@@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000423564059 458458235 /nfs/dbraw/zinc/45/82/35/458458235.db2.gz KXQABEMFHOYEDW-QGZVFWFLSA-N 2 1 341.499 3.486 20 0 EGADMP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+])c1ccc2ccccc2c1 ZINC000430541493 458458416 /nfs/dbraw/zinc/45/84/16/458458416.db2.gz JBBCBUALRXFIEE-HZPDHXFCSA-N 2 1 341.499 3.322 20 0 EGADMP C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+])c1ccc2ccccc2c1 ZINC000430541493 458458419 /nfs/dbraw/zinc/45/84/19/458458419.db2.gz JBBCBUALRXFIEE-HZPDHXFCSA-N 2 1 341.499 3.322 20 0 EGADMP COc1cccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1OC(F)F ZINC000459732722 458460856 /nfs/dbraw/zinc/46/08/56/458460856.db2.gz MQLAVWUYPCNORR-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)C1 ZINC000459732491 458460875 /nfs/dbraw/zinc/46/08/75/458460875.db2.gz GABZDICMTQNREH-GXRSIYKFSA-N 3 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000459732491 458460877 /nfs/dbraw/zinc/46/08/77/458460877.db2.gz GABZDICMTQNREH-GXRSIYKFSA-N 3 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000459732491 458460879 /nfs/dbraw/zinc/46/08/79/458460879.db2.gz GABZDICMTQNREH-GXRSIYKFSA-N 3 1 341.543 3.219 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000430570406 458462979 /nfs/dbraw/zinc/46/29/79/458462979.db2.gz GSRUYWTVIXOBFU-APWZRJJASA-N 2 1 337.467 3.498 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000430581256 458465363 /nfs/dbraw/zinc/46/53/63/458465363.db2.gz GTFBCSUWKGQYRS-GUXCAODWSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000430581256 458465365 /nfs/dbraw/zinc/46/53/65/458465365.db2.gz GTFBCSUWKGQYRS-GUXCAODWSA-N 2 1 339.483 3.076 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000459743219 458465488 /nfs/dbraw/zinc/46/54/88/458465488.db2.gz WYCGSJBQTXIBPL-SFHVURJKSA-N 2 1 339.483 3.482 20 0 EGADMP CC[NH2+]CC1CC[NH+](Cc2nc(-c3ccc(CC)cc3)no2)CC1 ZINC000430582451 458466962 /nfs/dbraw/zinc/46/69/62/458466962.db2.gz WPBVOKZASDAZJX-UHFFFAOYSA-N 2 1 328.460 3.121 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000423735874 458477677 /nfs/dbraw/zinc/47/76/77/458477677.db2.gz XPTGARWVUPHGSB-ZRSRNVLSSA-N 2 1 335.536 3.148 20 0 EGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431075717 458525178 /nfs/dbraw/zinc/52/51/78/458525178.db2.gz GLGNORBWJWWIGY-CVEARBPZSA-N 2 1 328.460 3.422 20 0 EGADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000493737891 458550188 /nfs/dbraw/zinc/55/01/88/458550188.db2.gz SPVDAGSHVBOQLH-XMHKDOOOSA-N 2 1 341.543 3.215 20 0 EGADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000493737891 458550190 /nfs/dbraw/zinc/55/01/90/458550190.db2.gz SPVDAGSHVBOQLH-XMHKDOOOSA-N 2 1 341.543 3.215 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000493737891 458550192 /nfs/dbraw/zinc/55/01/92/458550192.db2.gz SPVDAGSHVBOQLH-XMHKDOOOSA-N 2 1 341.543 3.215 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000493737891 458550194 /nfs/dbraw/zinc/55/01/94/458550194.db2.gz SPVDAGSHVBOQLH-XMHKDOOOSA-N 2 1 341.543 3.215 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000493737891 458550199 /nfs/dbraw/zinc/55/01/99/458550199.db2.gz SPVDAGSHVBOQLH-XMHKDOOOSA-N 2 1 341.543 3.215 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000424251358 458593316 /nfs/dbraw/zinc/59/33/16/458593316.db2.gz YERVGTFGUSZKHT-IBGZPJMESA-N 2 1 337.467 3.304 20 0 EGADMP COC(=O)CC1CC([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000424260773 458596020 /nfs/dbraw/zinc/59/60/20/458596020.db2.gz DMPLUSBZPKQUEK-ZRZPHAQCSA-N 2 1 344.499 3.492 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)co2)cc1 ZINC000424285122 458603516 /nfs/dbraw/zinc/60/35/16/458603516.db2.gz FDZUMYNDFXSQGK-OAHLLOKOSA-N 2 1 341.455 3.314 20 0 EGADMP CCC[C@@H](NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424289006 458605154 /nfs/dbraw/zinc/60/51/54/458605154.db2.gz LEXVTOIGTLSFEH-PKOBYXMFSA-N 2 1 343.515 3.108 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000431721506 458612485 /nfs/dbraw/zinc/61/24/85/458612485.db2.gz DPAIETZPDYMAAB-WSTZPKSXSA-N 2 1 345.531 3.164 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC000470135174 458614212 /nfs/dbraw/zinc/61/42/12/458614212.db2.gz SJABRZVQTYPKKX-SJLPKXTDSA-N 2 1 332.488 3.028 20 0 EGADMP COC(=O)[C@@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC000470135174 458614215 /nfs/dbraw/zinc/61/42/15/458614215.db2.gz SJABRZVQTYPKKX-SJLPKXTDSA-N 2 1 332.488 3.028 20 0 EGADMP COC(=O)[C@@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC000470135174 458614220 /nfs/dbraw/zinc/61/42/20/458614220.db2.gz SJABRZVQTYPKKX-SJLPKXTDSA-N 2 1 332.488 3.028 20 0 EGADMP CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000462680032 458641895 /nfs/dbraw/zinc/64/18/95/458641895.db2.gz IPRCAKHDMUCPMS-NQIIRXRSSA-N 2 1 329.532 3.492 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000546602082 458642287 /nfs/dbraw/zinc/64/22/87/458642287.db2.gz YVLDLHPJHWPNID-GOSISDBHSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470790158 458653097 /nfs/dbraw/zinc/65/30/97/458653097.db2.gz QEUAUOOOACHWDT-DENIHFKCSA-N 2 1 340.511 3.407 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470790158 458653102 /nfs/dbraw/zinc/65/31/02/458653102.db2.gz QEUAUOOOACHWDT-DENIHFKCSA-N 2 1 340.511 3.407 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470790158 458653106 /nfs/dbraw/zinc/65/31/06/458653106.db2.gz QEUAUOOOACHWDT-DENIHFKCSA-N 2 1 340.511 3.407 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000494436763 458676803 /nfs/dbraw/zinc/67/68/03/458676803.db2.gz MAZZEXWABWEHGU-WMLDXEAASA-N 2 1 329.419 3.443 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000494436763 458676808 /nfs/dbraw/zinc/67/68/08/458676808.db2.gz MAZZEXWABWEHGU-WMLDXEAASA-N 2 1 329.419 3.443 20 0 EGADMP OC1(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCC(c2ccccc2)CC1 ZINC000530230834 458724999 /nfs/dbraw/zinc/72/49/99/458724999.db2.gz KAKVPCRLTMEQND-OCDPCBSRSA-N 2 1 328.500 3.149 20 0 EGADMP OC1CC(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000432419117 458737198 /nfs/dbraw/zinc/73/71/98/458737198.db2.gz ZCYBTOMJHNLPHB-ZOBFTUDESA-N 2 1 328.500 3.038 20 0 EGADMP Cc1noc(C)c1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471839631 458740702 /nfs/dbraw/zinc/74/07/02/458740702.db2.gz YLZOMHYUGWYVMG-UYAOXDASSA-N 2 1 327.472 3.464 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000495078083 458795313 /nfs/dbraw/zinc/79/53/13/458795313.db2.gz HRYLEOXLYHVLOY-MRXNPFEDSA-N 2 1 343.515 3.446 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CCOC[C@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000530950143 458849804 /nfs/dbraw/zinc/84/98/04/458849804.db2.gz DSJMZTMSCDXXCT-HLAWJBBLSA-N 2 1 346.515 3.167 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CCOC[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000530950143 458849808 /nfs/dbraw/zinc/84/98/08/458849808.db2.gz DSJMZTMSCDXXCT-HLAWJBBLSA-N 2 1 346.515 3.167 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)CCOC[C@H]2CCCO2)CC[NH+]1Cc1ccccc1 ZINC000530950143 458849814 /nfs/dbraw/zinc/84/98/14/458849814.db2.gz DSJMZTMSCDXXCT-HLAWJBBLSA-N 2 1 346.515 3.167 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOC[C@H]2CCCO2)CC[NH+]1Cc1ccccc1 ZINC000530950143 458849816 /nfs/dbraw/zinc/84/98/16/458849816.db2.gz DSJMZTMSCDXXCT-HLAWJBBLSA-N 2 1 346.515 3.167 20 0 EGADMP CCOC(=O)C1(C)CCC([NH2+]C[C@@H](C(CC)CC)[NH+](C)C)CC1 ZINC000474475638 458888650 /nfs/dbraw/zinc/88/86/50/458888650.db2.gz NRIYHQMOIZWVKP-HFCFLWKCSA-N 2 1 326.525 3.454 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CC[NH+](C)C1)C1CCCCC1 ZINC000518891842 458897625 /nfs/dbraw/zinc/89/76/25/458897625.db2.gz LQOWCBWGUKRMNP-KRWDZBQOSA-N 2 1 329.488 3.341 20 0 EGADMP C[NH+](Cc1ccccc1NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC000518891842 458897631 /nfs/dbraw/zinc/89/76/31/458897631.db2.gz LQOWCBWGUKRMNP-KRWDZBQOSA-N 2 1 329.488 3.341 20 0 EGADMP C[NH+](Cc1ccccc1NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC000518891842 458897635 /nfs/dbraw/zinc/89/76/35/458897635.db2.gz LQOWCBWGUKRMNP-KRWDZBQOSA-N 2 1 329.488 3.341 20 0 EGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000474730414 458899479 /nfs/dbraw/zinc/89/94/79/458899479.db2.gz IAERFXWEJHJPDE-QHAWAJNXSA-N 2 1 330.516 3.346 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000474726363 458899526 /nfs/dbraw/zinc/89/95/26/458899526.db2.gz HCMVJZZVYPMAMR-MRXNPFEDSA-N 2 1 332.488 3.391 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@@H](C)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000441335099 458921310 /nfs/dbraw/zinc/92/13/10/458921310.db2.gz XLSVIJXYAHXWQD-MJGOQNOKSA-N 2 1 331.504 3.437 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1(C)C ZINC000441339854 458923524 /nfs/dbraw/zinc/92/35/24/458923524.db2.gz WKNMPHLICBYYOZ-PMACEKPBSA-N 2 1 329.532 3.013 20 0 EGADMP CCOC(=O)[C@@H](CC)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000441518424 458955953 /nfs/dbraw/zinc/95/59/53/458955953.db2.gz YEKXTUZLCSVFJJ-LJQANCHMSA-N 2 1 332.488 3.172 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000531703562 458963625 /nfs/dbraw/zinc/96/36/25/458963625.db2.gz NOMMMKWBLKHAQQ-LJQANCHMSA-N 2 1 335.923 3.191 20 0 EGADMP CC1(C)CCC[N@H+]1CCNC(=O)c1ccccc1Oc1ccncc1 ZINC000556705339 458992476 /nfs/dbraw/zinc/99/24/76/458992476.db2.gz MSKBCGFDVPANAR-UHFFFAOYSA-N 2 1 339.439 3.478 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000531940976 459003454 /nfs/dbraw/zinc/00/34/54/459003454.db2.gz KRIYQYTYQOKOMM-IBGZPJMESA-N 2 1 335.923 3.335 20 0 EGADMP CN(C[C@H](O)C[N@H+]1CCCCC[C@H]1/C=C/c1ccccc1)C1CC1 ZINC000519846564 459014748 /nfs/dbraw/zinc/01/47/48/459014748.db2.gz CLJDSZKJWYPNLG-GOHIESPPSA-N 2 1 328.500 3.400 20 0 EGADMP C[NH+](C[C@H](O)C[N@@H+]1CCCCC[C@H]1/C=C/c1ccccc1)C1CC1 ZINC000519846564 459014770 /nfs/dbraw/zinc/01/47/70/459014770.db2.gz CLJDSZKJWYPNLG-GOHIESPPSA-N 2 1 328.500 3.400 20 0 EGADMP C[NH+](C[C@H](O)C[N@H+]1CCCCC[C@H]1/C=C/c1ccccc1)C1CC1 ZINC000519846564 459014774 /nfs/dbraw/zinc/01/47/74/459014774.db2.gz CLJDSZKJWYPNLG-GOHIESPPSA-N 2 1 328.500 3.400 20 0 EGADMP CCCCNC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476982803 459025642 /nfs/dbraw/zinc/02/56/42/459025642.db2.gz KKJLCYMGVGJLDK-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)NCC2CCCCC2)CC1 ZINC000520196749 459037919 /nfs/dbraw/zinc/03/79/19/459037919.db2.gz AQNXGTBUEMOVPS-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442879970 459050167 /nfs/dbraw/zinc/05/01/67/459050167.db2.gz XOCCTGQZSMTHRZ-GOSISDBHSA-N 2 1 331.548 3.358 20 0 EGADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442881580 459051836 /nfs/dbraw/zinc/05/18/36/459051836.db2.gz ZRFHUQIDIFYCSO-IBGZPJMESA-N 2 1 345.531 3.033 20 0 EGADMP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442890520 459055554 /nfs/dbraw/zinc/05/55/54/459055554.db2.gz OMFIZUXASOVQJO-KXBFYZLASA-N 2 1 333.495 3.065 20 0 EGADMP CCS[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000594496156 459062069 /nfs/dbraw/zinc/06/20/69/459062069.db2.gz INVRUSOXXPFFEH-OKZBNKHCSA-N 2 1 326.550 3.284 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442929023 459063331 /nfs/dbraw/zinc/06/33/31/459063331.db2.gz QNDLBHUUMYWARU-LJQANCHMSA-N 2 1 340.515 3.417 20 0 EGADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000443057571 459079207 /nfs/dbraw/zinc/07/92/07/459079207.db2.gz HAEYWRBCUUIGKP-SJORKVTESA-N 2 1 339.483 3.078 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060132 459080717 /nfs/dbraw/zinc/08/07/17/459080717.db2.gz OFDWWZQEWWPBPO-STQMWFEESA-N 2 1 343.393 3.093 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000443077386 459085485 /nfs/dbraw/zinc/08/54/85/459085485.db2.gz UOQABJNWNROGNL-LLVKDONJSA-N 2 1 327.259 3.202 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000443077386 459085492 /nfs/dbraw/zinc/08/54/92/459085492.db2.gz UOQABJNWNROGNL-LLVKDONJSA-N 2 1 327.259 3.202 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000478395453 459087968 /nfs/dbraw/zinc/08/79/68/459087968.db2.gz BHDQDWKHMGPSKX-WOJBJXKFSA-N 2 1 345.531 3.103 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000577854667 459107766 /nfs/dbraw/zinc/10/77/66/459107766.db2.gz VSCKBIVYHFMRSQ-GBMAXXPESA-N 2 1 330.516 3.284 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000567678553 459143882 /nfs/dbraw/zinc/14/38/82/459143882.db2.gz VWPXGZQHSOVKHN-CYBMUJFWSA-N 2 1 334.851 3.099 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ncccc2C)[C@H](C)C1 ZINC000578102387 459144744 /nfs/dbraw/zinc/14/47/44/459144744.db2.gz HRJYKBRDYODPBB-MOPGFXCFSA-N 2 1 347.547 3.394 20 0 EGADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000578349621 459185891 /nfs/dbraw/zinc/18/58/91/459185891.db2.gz IRTDKDIUMXKCLY-PXNSSMCTSA-N 2 1 348.531 3.145 20 0 EGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000480725609 459214795 /nfs/dbraw/zinc/21/47/95/459214795.db2.gz YWQDGEBGDSYKOY-RDGPPVDQSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480725609 459214799 /nfs/dbraw/zinc/21/47/99/459214799.db2.gz YWQDGEBGDSYKOY-RDGPPVDQSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480725609 459214806 /nfs/dbraw/zinc/21/48/06/459214806.db2.gz YWQDGEBGDSYKOY-RDGPPVDQSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)N1CCCc2ccccc21 ZINC000568131101 459231353 /nfs/dbraw/zinc/23/13/53/459231353.db2.gz NNEIWUXKWVSHFJ-QFBILLFUSA-N 2 1 345.531 3.310 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000568399284 459281583 /nfs/dbraw/zinc/28/15/83/459281583.db2.gz HZCNAFBRLIDDIY-GOSISDBHSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1F ZINC000482130880 459291962 /nfs/dbraw/zinc/29/19/62/459291962.db2.gz FUHBIGUNCSTXPL-DOTOQJQBSA-N 2 1 335.467 3.254 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccccc1C ZINC000482163463 459295062 /nfs/dbraw/zinc/29/50/62/459295062.db2.gz LTXKXRKVLNAHRI-PMACEKPBSA-N 2 1 345.531 3.101 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000582346183 459349665 /nfs/dbraw/zinc/34/96/65/459349665.db2.gz IUQHMWWVQRSCHN-CQSZACIVSA-N 2 1 332.517 3.402 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000582346183 459349672 /nfs/dbraw/zinc/34/96/72/459349672.db2.gz IUQHMWWVQRSCHN-CQSZACIVSA-N 2 1 332.517 3.402 20 0 EGADMP C[C@@H]1CCN(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000560528451 459365971 /nfs/dbraw/zinc/36/59/71/459365971.db2.gz GDXDOTOGTVBXQB-KMFTYDHNSA-N 3 1 329.532 3.361 20 0 EGADMP COc1ccc(C[C@@H](C)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1F ZINC000560594061 459377273 /nfs/dbraw/zinc/37/72/73/459377273.db2.gz FRSQQESWDMQUMM-UZLBHIALSA-N 2 1 334.479 3.431 20 0 EGADMP COc1ccc(C[C@@H](C)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1F ZINC000560594061 459377276 /nfs/dbraw/zinc/37/72/76/459377276.db2.gz FRSQQESWDMQUMM-UZLBHIALSA-N 2 1 334.479 3.431 20 0 EGADMP COc1ccc(C[C@@H](C)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1F ZINC000560594061 459377280 /nfs/dbraw/zinc/37/72/80/459377280.db2.gz FRSQQESWDMQUMM-UZLBHIALSA-N 2 1 334.479 3.431 20 0 EGADMP C[NH+]1CCN(CCCC[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000569187646 459409738 /nfs/dbraw/zinc/40/97/38/459409738.db2.gz RESQSGOTFOVUCG-UHFFFAOYSA-N 2 1 348.293 3.250 20 0 EGADMP COc1cccc([C@H](C[NH2+][C@H]2CCCCC[C@H]2[NH3+])N2CCCC2)c1 ZINC000569349525 459436516 /nfs/dbraw/zinc/43/65/16/459436516.db2.gz JGQMEROBFGOGLE-AABGKKOBSA-N 2 1 331.504 3.082 20 0 EGADMP C[N@@H+](CCOc1cccc(Br)c1)C[C@H]1CCC[NH+](C)C1 ZINC000525488377 459459281 /nfs/dbraw/zinc/45/92/81/459459281.db2.gz OHJFKMNUJYCDTD-AWEZNQCLSA-N 2 1 341.293 3.102 20 0 EGADMP C[NH+](CCOc1cccc(Br)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000525488377 459459289 /nfs/dbraw/zinc/45/92/89/459459289.db2.gz OHJFKMNUJYCDTD-AWEZNQCLSA-N 2 1 341.293 3.102 20 0 EGADMP C[NH+](CCOc1cccc(Br)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000525488377 459459296 /nfs/dbraw/zinc/45/92/96/459459296.db2.gz OHJFKMNUJYCDTD-AWEZNQCLSA-N 2 1 341.293 3.102 20 0 EGADMP c1ccc2c(c1)CC(C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)C2 ZINC000569516028 459464017 /nfs/dbraw/zinc/46/40/17/459464017.db2.gz XGPOWRDLCIVBIR-UHFFFAOYSA-N 2 1 336.479 3.023 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497177392 459474167 /nfs/dbraw/zinc/47/41/67/459474167.db2.gz KDOSCYGPZOISKC-YESZJQIVSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000569855843 459520589 /nfs/dbraw/zinc/52/05/89/459520589.db2.gz HPKQKTQFYWWUNU-ZDUSSCGKSA-N 2 1 334.414 3.175 20 0 EGADMP C[C@@H](CCC(C)(C)C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000542541278 459569248 /nfs/dbraw/zinc/56/92/48/459569248.db2.gz IYBHIRCEGLACIP-HNNXBMFYSA-N 2 1 332.492 3.234 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C/C=C\c3ccc(F)cc3F)C2)CC1 ZINC000542703161 459583590 /nfs/dbraw/zinc/58/35/90/459583590.db2.gz HYDJYGPBORNOHA-ZRHASKPBSA-N 2 1 349.469 3.078 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C/C=C\c3ccc(F)cc3F)C2)CC1 ZINC000542703161 459583593 /nfs/dbraw/zinc/58/35/93/459583593.db2.gz HYDJYGPBORNOHA-ZRHASKPBSA-N 2 1 349.469 3.078 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC/C=C\c3ccccc3)C2)CC1 ZINC000583733995 459588142 /nfs/dbraw/zinc/58/81/42/459588142.db2.gz CVCDPJVNCUQMLM-RACPOZDESA-N 2 1 327.516 3.190 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)[C@H]1c1cccs1 ZINC000583867302 459609444 /nfs/dbraw/zinc/60/94/44/459609444.db2.gz ZHNOVLPWRQVJGH-KWCYVHTRSA-N 2 1 336.423 3.034 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)[C@H]1c1cccs1 ZINC000583867302 459609447 /nfs/dbraw/zinc/60/94/47/459609447.db2.gz ZHNOVLPWRQVJGH-KWCYVHTRSA-N 2 1 336.423 3.034 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000527323944 459628440 /nfs/dbraw/zinc/62/84/40/459628440.db2.gz CMLZLMCEZMHALZ-INIZCTEOSA-N 2 1 328.859 3.412 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000527323944 459628445 /nfs/dbraw/zinc/62/84/45/459628445.db2.gz CMLZLMCEZMHALZ-INIZCTEOSA-N 2 1 328.859 3.412 20 0 EGADMP Clc1cnc(CNC[C@H]2CC[N@H+](C3CC3)C2)c(Br)c1 ZINC000527637563 459679913 /nfs/dbraw/zinc/67/99/13/459679913.db2.gz MISZOFYMJMILGL-SNVBAGLBSA-N 2 1 344.684 3.071 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1OCC(F)(F)F ZINC000584359001 459718641 /nfs/dbraw/zinc/71/86/41/459718641.db2.gz NSOHIMYMFPJUFN-TZMCWYRMSA-N 2 1 346.393 3.338 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1OCC(F)(F)F ZINC000584359001 459718644 /nfs/dbraw/zinc/71/86/44/459718644.db2.gz NSOHIMYMFPJUFN-TZMCWYRMSA-N 2 1 346.393 3.338 20 0 EGADMP Clc1ccc([C@@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)cc1Cl ZINC000563155223 459726581 /nfs/dbraw/zinc/72/65/81/459726581.db2.gz NNNZCSCOIFKPEY-INIZCTEOSA-N 2 1 328.287 3.036 20 0 EGADMP Cc1cc(C)c(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cn1 ZINC000573776087 459731746 /nfs/dbraw/zinc/73/17/46/459731746.db2.gz MWJZKZCUBPWPQJ-IBGZPJMESA-N 2 1 344.503 3.295 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)CC[C@H]3CCC[N@H+]3C)C2)s1 ZINC000563214695 459740202 /nfs/dbraw/zinc/74/02/02/459740202.db2.gz CVRKRXICARLHIW-QZTJIDSGSA-N 2 1 335.561 3.295 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H](CN(C)CC[C@H]3CCC[NH+]3C)C2)s1 ZINC000563214695 459740208 /nfs/dbraw/zinc/74/02/08/459740208.db2.gz CVRKRXICARLHIW-QZTJIDSGSA-N 2 1 335.561 3.295 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CC[C@H]3CCC[NH+]3C)C2)s1 ZINC000563214695 459740212 /nfs/dbraw/zinc/74/02/12/459740212.db2.gz CVRKRXICARLHIW-QZTJIDSGSA-N 2 1 335.561 3.295 20 0 EGADMP C[C@H](CC(=O)Nc1ccccc1C[NH+]1CCSCC1)n1ccnc1 ZINC000563222409 459742650 /nfs/dbraw/zinc/74/26/50/459742650.db2.gz KDCGOEPMUISPCQ-OAHLLOKOSA-N 2 1 344.484 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000501784203 459743679 /nfs/dbraw/zinc/74/36/79/459743679.db2.gz CXESEBBYKSSNAG-RTBURBONSA-N 2 1 336.907 3.194 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000501784203 459743682 /nfs/dbraw/zinc/74/36/82/459743682.db2.gz CXESEBBYKSSNAG-RTBURBONSA-N 2 1 336.907 3.194 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000501784203 459743685 /nfs/dbraw/zinc/74/36/85/459743685.db2.gz CXESEBBYKSSNAG-RTBURBONSA-N 2 1 336.907 3.194 20 0 EGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)[C@@H]1CC12CC2 ZINC000527853291 459758705 /nfs/dbraw/zinc/75/87/05/459758705.db2.gz UHHYFUGKWUNJNG-YSIASYRMSA-N 2 1 327.516 3.143 20 0 EGADMP C[C@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000545160759 459805137 /nfs/dbraw/zinc/80/51/37/459805137.db2.gz BAJAGXKTGYGNLD-LKFCYVNXSA-N 2 1 337.678 3.364 20 0 EGADMP CCc1cccc2cc(C[N@@H+]3CC[C@H](N4CC[NH+](CC)CC4)C3)oc21 ZINC000597004320 459816388 /nfs/dbraw/zinc/81/63/88/459816388.db2.gz ZYEZXHAMCMRXCZ-IBGZPJMESA-N 2 1 341.499 3.207 20 0 EGADMP Cc1cccc2[nH]c(C[N@@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)cc21 ZINC000597025313 459820012 /nfs/dbraw/zinc/82/00/12/459820012.db2.gz CJWHGBVKFDUZQT-IBGZPJMESA-N 2 1 340.515 3.077 20 0 EGADMP Cc1nn2c(C[NH2+]C[C@@H]3CC[N@@H+](C(C)C)C3)c(C(C)C)nc2s1 ZINC000574590306 459838680 /nfs/dbraw/zinc/83/86/80/459838680.db2.gz OJNKACVHTNDCRD-AWEZNQCLSA-N 2 1 335.521 3.043 20 0 EGADMP Cc1nn2c(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)c(C(C)C)nc2s1 ZINC000574590306 459838682 /nfs/dbraw/zinc/83/86/82/459838682.db2.gz OJNKACVHTNDCRD-AWEZNQCLSA-N 2 1 335.521 3.043 20 0 EGADMP CC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000574792266 459873469 /nfs/dbraw/zinc/87/34/69/459873469.db2.gz XZBMHKRCTNIFNN-BURNTYAHSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000621502383 459934476 /nfs/dbraw/zinc/93/44/76/459934476.db2.gz KRIYSVITWOBDQC-VQIMIIECSA-N 2 1 331.504 3.051 20 0 EGADMP CCOC(=O)C1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602620647 460026667 /nfs/dbraw/zinc/02/66/67/460026667.db2.gz ZIIHWORLJUCOLY-MJGOQNOKSA-N 2 1 342.483 3.287 20 0 EGADMP CCOC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602620647 460026674 /nfs/dbraw/zinc/02/66/74/460026674.db2.gz ZIIHWORLJUCOLY-MJGOQNOKSA-N 2 1 342.483 3.287 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c2ccccc21 ZINC000621756299 460051161 /nfs/dbraw/zinc/05/11/61/460051161.db2.gz KLTPIQMUOXHOAE-UYAOXDASSA-N 2 1 343.515 3.442 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000576090917 460067743 /nfs/dbraw/zinc/06/77/43/460067743.db2.gz XYZKITKMXLHOLB-UHFFFAOYSA-N 2 1 346.519 3.380 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cncc(Br)c2)C1 ZINC000576122978 460075892 /nfs/dbraw/zinc/07/58/92/460075892.db2.gz VPEWGGYDZUNGPE-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cncc(Br)c2)C1 ZINC000576122978 460075895 /nfs/dbraw/zinc/07/58/95/460075895.db2.gz VPEWGGYDZUNGPE-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP COC(=O)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000589743160 460135174 /nfs/dbraw/zinc/13/51/74/460135174.db2.gz AALIKDQBITYHEK-HKUYNNGSSA-N 2 1 344.499 3.363 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000625454038 460178878 /nfs/dbraw/zinc/17/88/78/460178878.db2.gz JGBDLTHAAFEZEF-UHFFFAOYSA-N 2 1 327.472 3.389 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000625454038 460178888 /nfs/dbraw/zinc/17/88/88/460178888.db2.gz JGBDLTHAAFEZEF-UHFFFAOYSA-N 2 1 327.472 3.389 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2)C1 ZINC000599310367 460225823 /nfs/dbraw/zinc/22/58/23/460225823.db2.gz WKUZYXROTLSRAF-FXAWDEMLSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000599310367 460225826 /nfs/dbraw/zinc/22/58/26/460225826.db2.gz WKUZYXROTLSRAF-FXAWDEMLSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@H]3CCCC[N@H+]3C)cc2)C1 ZINC000599310367 460225828 /nfs/dbraw/zinc/22/58/28/460225828.db2.gz WKUZYXROTLSRAF-FXAWDEMLSA-N 2 1 343.515 3.019 20 0 EGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000622394613 460257694 /nfs/dbraw/zinc/25/76/94/460257694.db2.gz ORSSWWUBFCOUQZ-PKOBYXMFSA-N 2 1 335.536 3.116 20 0 EGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622394613 460257696 /nfs/dbraw/zinc/25/76/96/460257696.db2.gz ORSSWWUBFCOUQZ-PKOBYXMFSA-N 2 1 335.536 3.116 20 0 EGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000622394613 460257700 /nfs/dbraw/zinc/25/77/00/460257700.db2.gz ORSSWWUBFCOUQZ-PKOBYXMFSA-N 2 1 335.536 3.116 20 0 EGADMP C[C@@H](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000622507910 460269968 /nfs/dbraw/zinc/26/99/68/460269968.db2.gz FNLZKJKJICKDIY-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@@H]2COc3ccccc3O2)C1 ZINC000603740924 460338517 /nfs/dbraw/zinc/33/85/17/460338517.db2.gz XUXUEDMPSCTFRB-CEXWTWQISA-N 2 1 344.499 3.413 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1nccs1 ZINC000626062832 460359551 /nfs/dbraw/zinc/35/95/51/460359551.db2.gz ILJSUXDYFHERIC-AWEZNQCLSA-N 2 1 346.500 3.054 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1nccs1 ZINC000626062832 460359553 /nfs/dbraw/zinc/35/95/53/460359553.db2.gz ILJSUXDYFHERIC-AWEZNQCLSA-N 2 1 346.500 3.054 20 0 EGADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626101395 460370666 /nfs/dbraw/zinc/37/06/66/460370666.db2.gz RKOFHWDHPHGHAC-CVEARBPZSA-N 2 1 331.287 3.491 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626101395 460370670 /nfs/dbraw/zinc/37/06/70/460370670.db2.gz RKOFHWDHPHGHAC-CVEARBPZSA-N 2 1 331.287 3.491 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626101018 460371258 /nfs/dbraw/zinc/37/12/58/460371258.db2.gz FYCOXNMCUUOLNM-OAHLLOKOSA-N 2 1 328.243 3.212 20 0 EGADMP COC[C@@H](C)[N@H+](CCCc1c[nH+]cn1C)[C@@H]1CCc2ccccc21 ZINC000626133474 460388835 /nfs/dbraw/zinc/38/88/35/460388835.db2.gz OCRMGLZTPIXWNM-OXQOHEQNSA-N 2 1 327.472 3.377 20 0 EGADMP COC[C@@H](C)[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1CCc2ccccc21 ZINC000626133474 460388839 /nfs/dbraw/zinc/38/88/39/460388839.db2.gz OCRMGLZTPIXWNM-OXQOHEQNSA-N 2 1 327.472 3.377 20 0 EGADMP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634732224 460497978 /nfs/dbraw/zinc/49/79/78/460497978.db2.gz AZCWHFPABZRMRZ-ZDUSSCGKSA-N 2 1 328.403 3.164 20 0 EGADMP C[N@H+](CC(=O)Nc1ccccc1C[NH+]1CCSCC1)CC(C)(C)C ZINC000635453250 460792424 /nfs/dbraw/zinc/79/24/24/460792424.db2.gz OCTKCHCPQZTJDN-UHFFFAOYSA-N 2 1 349.544 3.152 20 0 EGADMP C[N@@H+](CC(=O)Nc1ccccc1C[NH+]1CCSCC1)CC(C)(C)C ZINC000635453250 460792429 /nfs/dbraw/zinc/79/24/29/460792429.db2.gz OCTKCHCPQZTJDN-UHFFFAOYSA-N 2 1 349.544 3.152 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1)c1c[nH+]ccc1N ZINC000629545252 460802720 /nfs/dbraw/zinc/80/27/20/460802720.db2.gz KXRWMBCEUKJOFW-DGCLKSJQSA-N 2 1 334.826 3.216 20 0 EGADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1cn([C@H]3CC[NH2+]C3)nn1)CCC2 ZINC000629553147 460805853 /nfs/dbraw/zinc/80/58/53/460805853.db2.gz UWYMJGLBGGDHDV-ICSRJNTNSA-N 2 1 339.487 3.103 20 0 EGADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629562342 460808672 /nfs/dbraw/zinc/80/86/72/460808672.db2.gz BJFHVCGNVJCUQV-CABCVRRESA-N 2 1 330.394 3.141 20 0 EGADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629562342 460808678 /nfs/dbraw/zinc/80/86/78/460808678.db2.gz BJFHVCGNVJCUQV-CABCVRRESA-N 2 1 330.394 3.141 20 0 EGADMP Cc1ccccc1OCCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563558 460811346 /nfs/dbraw/zinc/81/13/46/460811346.db2.gz RPHXDZLZYLNZCI-LSDHHAIUSA-N 2 1 330.394 3.223 20 0 EGADMP Cc1ccccc1OCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563558 460811349 /nfs/dbraw/zinc/81/13/49/460811349.db2.gz RPHXDZLZYLNZCI-LSDHHAIUSA-N 2 1 330.394 3.223 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000617341332 460817925 /nfs/dbraw/zinc/81/79/25/460817925.db2.gz OJFPEEJOJYELRZ-IBGZPJMESA-N 2 1 343.515 3.275 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000617345118 460821218 /nfs/dbraw/zinc/82/12/18/460821218.db2.gz XKHZQEDLCMEZSO-LJQANCHMSA-N 2 1 343.515 3.275 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624122181 460872887 /nfs/dbraw/zinc/87/28/87/460872887.db2.gz LQYQIFSYLZANLU-HOCLYGCPSA-N 2 1 333.476 3.036 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624122181 460872889 /nfs/dbraw/zinc/87/28/89/460872889.db2.gz LQYQIFSYLZANLU-HOCLYGCPSA-N 2 1 333.476 3.036 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)c1OC ZINC000624122872 460872974 /nfs/dbraw/zinc/87/29/74/460872974.db2.gz AHWSFTNWEHNQEJ-WBVHZDCISA-N 2 1 334.504 3.265 20 0 EGADMP C[NH+](C)Cc1cc(-c2cccc(C[NH+]3CCOCC3)c2)ccc1F ZINC000629739080 460897992 /nfs/dbraw/zinc/89/79/92/460897992.db2.gz VBJBIQJWQGTSCJ-UHFFFAOYSA-N 2 1 328.431 3.387 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)C23CCC[NH+](CCC2)C3)cc1Cl ZINC000635880838 460960248 /nfs/dbraw/zinc/96/02/48/460960248.db2.gz HSEFZQCJSIPSIU-UHFFFAOYSA-N 2 1 335.879 3.216 20 0 EGADMP Cc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)ncc1Br ZINC000628153008 461019939 /nfs/dbraw/zinc/01/99/39/461019939.db2.gz XBBFYYCRAXOGAV-UHFFFAOYSA-N 2 1 340.309 3.316 20 0 EGADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628165557 461029177 /nfs/dbraw/zinc/02/91/77/461029177.db2.gz CLRHDXXFSOHOSA-CQSZACIVSA-N 2 1 344.421 3.025 20 0 EGADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628165557 461029181 /nfs/dbraw/zinc/02/91/81/461029181.db2.gz CLRHDXXFSOHOSA-CQSZACIVSA-N 2 1 344.421 3.025 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(F)c(F)c2N(C)C)C[C@@H]1C ZINC000628183146 461036450 /nfs/dbraw/zinc/03/64/50/461036450.db2.gz RVWVCTPRTXVWNY-ZFWWWQNUSA-N 2 1 325.447 3.335 20 0 EGADMP Cc1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ncc1Br ZINC000628281431 461071488 /nfs/dbraw/zinc/07/14/88/461071488.db2.gz YWBOFJMABCSXEO-CZUORRHYSA-N 2 1 338.293 3.069 20 0 EGADMP Cc1ccc(C)c(OCCC[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652346891 461141296 /nfs/dbraw/zinc/14/12/96/461141296.db2.gz LAVSAXHOOQDVSD-ZJOUEHCJSA-N 2 1 346.515 3.291 20 0 EGADMP CCc1cccc2cc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)oc21 ZINC000668162816 461147382 /nfs/dbraw/zinc/14/73/82/461147382.db2.gz JDWCGFVYVDYFOJ-UHFFFAOYSA-N 2 1 329.488 3.065 20 0 EGADMP Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)n1 ZINC000662261726 461149652 /nfs/dbraw/zinc/14/96/52/461149652.db2.gz NEHZWPQSWVCPHT-FQEVSTJZSA-N 2 1 338.499 3.200 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCc2nc(-c3ccccc3)no2)[C@H]1CC[NH3+] ZINC000652354185 461149777 /nfs/dbraw/zinc/14/97/77/461149777.db2.gz PEQKABXQMRMPCR-RDJZCZTQSA-N 2 1 328.460 3.119 20 0 EGADMP Cc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])C2CC2)cc1 ZINC000652353807 461151386 /nfs/dbraw/zinc/15/13/86/461151386.db2.gz DMFZTMWRBMJCRY-BSIFCXSSSA-N 2 1 343.515 3.012 20 0 EGADMP Cc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])C2CC2)cc1 ZINC000652353807 461151392 /nfs/dbraw/zinc/15/13/92/461151392.db2.gz DMFZTMWRBMJCRY-BSIFCXSSSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652353846 461151427 /nfs/dbraw/zinc/15/14/27/461151427.db2.gz FLODIMFGALTCNB-OIISXLGYSA-N 2 1 349.544 3.033 20 0 EGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652353846 461151431 /nfs/dbraw/zinc/15/14/31/461151431.db2.gz FLODIMFGALTCNB-OIISXLGYSA-N 2 1 349.544 3.033 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2nc3ccccc3s2)C1 ZINC000652363988 461158179 /nfs/dbraw/zinc/15/81/79/461158179.db2.gz UFESOUOHYLGHEL-BMFZPTHFSA-N 2 1 331.485 3.157 20 0 EGADMP Fc1ccc(SCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000662275130 461160638 /nfs/dbraw/zinc/16/06/38/461160638.db2.gz SLEJJQKEMPHAOY-KGLIPLIRSA-N 2 1 326.456 3.378 20 0 EGADMP CC[C@@H](OCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000649551256 461168895 /nfs/dbraw/zinc/16/88/95/461168895.db2.gz SMMKICMXQVSVQM-HXUWFJFHSA-N 2 1 325.456 3.372 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2nccn2Cc2ccccc2)[C@@H]1CCC[NH3+] ZINC000662311539 461184340 /nfs/dbraw/zinc/18/43/40/461184340.db2.gz BSKRJGLRSVTOCK-IEBWSBKVSA-N 2 1 326.488 3.271 20 0 EGADMP CC[C@@H](OCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000649569793 461184911 /nfs/dbraw/zinc/18/49/11/461184911.db2.gz ANFCUSLMRVWWAJ-OAQYLSRUSA-N 2 1 347.547 3.112 20 0 EGADMP Cc1ncc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)s1 ZINC000662327544 461195446 /nfs/dbraw/zinc/19/54/46/461195446.db2.gz RLLZNQLUEYFIEM-UHFFFAOYSA-N 2 1 345.516 3.021 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638122588 461256144 /nfs/dbraw/zinc/25/61/44/461256144.db2.gz KWXIPOOIFKELRJ-CRAIPNDOSA-N 2 1 332.488 3.355 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638122588 461256149 /nfs/dbraw/zinc/25/61/49/461256149.db2.gz KWXIPOOIFKELRJ-CRAIPNDOSA-N 2 1 332.488 3.355 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000662593754 461310430 /nfs/dbraw/zinc/31/04/30/461310430.db2.gz QFSMUOICTDLZOK-MSOLQXFVSA-N 2 1 337.552 3.301 20 0 EGADMP NC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638296654 461352724 /nfs/dbraw/zinc/35/27/24/461352724.db2.gz AYSRXCGMOPBWCA-PZJWPPBQSA-N 2 1 349.478 3.243 20 0 EGADMP NC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638296654 461352728 /nfs/dbraw/zinc/35/27/28/461352728.db2.gz AYSRXCGMOPBWCA-PZJWPPBQSA-N 2 1 349.478 3.243 20 0 EGADMP c1ccc2cc(OCC[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)ccc2c1 ZINC000655685492 461361621 /nfs/dbraw/zinc/36/16/21/461361621.db2.gz FMZQUKFAXCEARZ-FQEVSTJZSA-N 2 1 340.467 3.062 20 0 EGADMP c1cn(CCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc12 ZINC000655690749 461366203 /nfs/dbraw/zinc/36/62/03/461366203.db2.gz NYUBOZRDCJQVRA-HXUWFJFHSA-N 2 1 341.499 3.264 20 0 EGADMP Cc1cc(C)c(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)c1 ZINC000655694428 461368123 /nfs/dbraw/zinc/36/81/23/461368123.db2.gz HEJSHWQGYVBTQN-FQEVSTJZSA-N 2 1 330.516 3.387 20 0 EGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000641799183 461377504 /nfs/dbraw/zinc/37/75/04/461377504.db2.gz OBCNGFSJKJQIFH-MSOLQXFVSA-N 2 1 325.456 3.472 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000641805876 461380751 /nfs/dbraw/zinc/38/07/51/461380751.db2.gz PDCJVOIXICVUMD-ZEGGKSINSA-N 2 1 330.259 3.036 20 0 EGADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Nc1ccccc1 ZINC000655711170 461381050 /nfs/dbraw/zinc/38/10/50/461381050.db2.gz FWDZJUWJABSZMR-SFTDATJTSA-N 2 1 345.531 3.356 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1cccc2ccccc21 ZINC000641809994 461381918 /nfs/dbraw/zinc/38/19/18/461381918.db2.gz ZJZDSTJPKSMDHA-KODHJQJWSA-N 2 1 339.483 3.121 20 0 EGADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccnc1 ZINC000655721168 461389800 /nfs/dbraw/zinc/38/98/00/461389800.db2.gz MGHPHONKXTZTHP-UXHICEINSA-N 2 1 331.504 3.054 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CCCc2cnn(C)c2)C1 ZINC000638368306 461389994 /nfs/dbraw/zinc/38/99/94/461389994.db2.gz VLTUTSPCPFYIMZ-SFHVURJKSA-N 2 1 340.515 3.374 20 0 EGADMP O=C(CCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)NC1CC1 ZINC000638367560 461390830 /nfs/dbraw/zinc/39/08/30/461390830.db2.gz WTLPZNFECGKVCV-UYAOXDASSA-N 2 1 341.499 3.003 20 0 EGADMP O=C(CCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)NC1CC1 ZINC000638367560 461390836 /nfs/dbraw/zinc/39/08/36/461390836.db2.gz WTLPZNFECGKVCV-UYAOXDASSA-N 2 1 341.499 3.003 20 0 EGADMP C[C@@]1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCc2ccccc21 ZINC000655735037 461403171 /nfs/dbraw/zinc/40/31/71/461403171.db2.gz CRFPHSYJFCXADD-FPOVZHCZSA-N 2 1 328.500 3.124 20 0 EGADMP c1c2ccccc2sc1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655770187 461435387 /nfs/dbraw/zinc/43/53/87/461435387.db2.gz BJNMULZMQPTFHL-KRWDZBQOSA-N 2 1 330.497 3.287 20 0 EGADMP CCOc1ccc(C[C@H](C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655775314 461437726 /nfs/dbraw/zinc/43/77/26/461437726.db2.gz WBEICAANUFAIJW-PXNSSMCTSA-N 2 1 346.515 3.107 20 0 EGADMP CCOc1ccccc1[C@H](CC)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638471614 461444517 /nfs/dbraw/zinc/44/45/17/461444517.db2.gz JSYMIKAIQKFFFY-SFHVURJKSA-N 2 1 334.504 3.361 20 0 EGADMP CO[C@@H](C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C1CCCC1 ZINC000638524224 461465927 /nfs/dbraw/zinc/46/59/27/461465927.db2.gz NDSSTNMVPAMNPM-IBGZPJMESA-N 2 1 349.519 3.298 20 0 EGADMP Fc1cccc(C[N@H+]2CCC[C@@H](c3nc([C@@H]4CCC[NH2+]4)no3)C2)c1 ZINC000647151799 461529010 /nfs/dbraw/zinc/52/90/10/461529010.db2.gz PLICPGSXWPLXSS-ZBFHGGJFSA-N 2 1 330.407 3.013 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2Sc3ccccc3NC2=O)C[C@@H]1C ZINC000659983089 461529155 /nfs/dbraw/zinc/52/91/55/461529155.db2.gz DEUGCNLBZXLAAI-RLFYNMQTSA-N 2 1 347.528 3.294 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2Sc3ccccc3NC2=O)C[C@@H]1C ZINC000659983089 461529162 /nfs/dbraw/zinc/52/91/62/461529162.db2.gz DEUGCNLBZXLAAI-RLFYNMQTSA-N 2 1 347.528 3.294 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H]2Sc3ccccc3NC2=O)C[C@@H]1C ZINC000659983089 461529171 /nfs/dbraw/zinc/52/91/71/461529171.db2.gz DEUGCNLBZXLAAI-RLFYNMQTSA-N 2 1 347.528 3.294 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659982453 461529434 /nfs/dbraw/zinc/52/94/34/461529434.db2.gz NHTDXVRWKDMMDD-QAPCUYQASA-N 2 1 347.528 3.153 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659982453 461529441 /nfs/dbraw/zinc/52/94/41/461529441.db2.gz NHTDXVRWKDMMDD-QAPCUYQASA-N 2 1 347.528 3.153 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659982453 461529447 /nfs/dbraw/zinc/52/94/47/461529447.db2.gz NHTDXVRWKDMMDD-QAPCUYQASA-N 2 1 347.528 3.153 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@@H]3C3CC3)CC23CC3)cc1 ZINC000647197367 461558440 /nfs/dbraw/zinc/55/84/40/461558440.db2.gz PUKQTLIMHVHJKX-XUVXKRRUSA-N 2 1 326.484 3.341 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@@H]3C3CC3)CC23CC3)cc1 ZINC000647197367 461558449 /nfs/dbraw/zinc/55/84/49/461558449.db2.gz PUKQTLIMHVHJKX-XUVXKRRUSA-N 2 1 326.484 3.341 20 0 EGADMP COCCc1ncc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000631112477 461559058 /nfs/dbraw/zinc/55/90/58/461559058.db2.gz ZWLVXXYBQMNZHT-LSDHHAIUSA-N 2 1 337.533 3.075 20 0 EGADMP COCCc1ncc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000631112477 461559068 /nfs/dbraw/zinc/55/90/68/461559068.db2.gz ZWLVXXYBQMNZHT-LSDHHAIUSA-N 2 1 337.533 3.075 20 0 EGADMP CCC[NH+]1CCC(Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000666322176 461567365 /nfs/dbraw/zinc/56/73/65/461567365.db2.gz NPBAXDRGLUPGQA-KRWDZBQOSA-N 2 1 331.504 3.366 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000663343829 461571344 /nfs/dbraw/zinc/57/13/44/461571344.db2.gz GMOLHMLAVHQREL-FXAWDEMLSA-N 2 1 328.500 3.264 20 0 EGADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(-c2ccccc2)n1 ZINC000663345019 461574754 /nfs/dbraw/zinc/57/47/54/461574754.db2.gz FNKDENYXYVNDMC-SFHVURJKSA-N 2 1 338.499 3.299 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638781531 461575806 /nfs/dbraw/zinc/57/58/06/461575806.db2.gz VONJJEWYXMFWAL-OJAWGZOXSA-N 2 1 339.527 3.427 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638781531 461575816 /nfs/dbraw/zinc/57/58/16/461575816.db2.gz VONJJEWYXMFWAL-OJAWGZOXSA-N 2 1 339.527 3.427 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638781531 461575822 /nfs/dbraw/zinc/57/58/22/461575822.db2.gz VONJJEWYXMFWAL-OJAWGZOXSA-N 2 1 339.527 3.427 20 0 EGADMP C[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c2cc(C(F)(F)F)ccc21 ZINC000643039582 461595039 /nfs/dbraw/zinc/59/50/39/461595039.db2.gz WOLCJNGAQYDIPQ-RYUDHWBXSA-N 2 1 327.325 3.390 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638838515 461607405 /nfs/dbraw/zinc/60/74/05/461607405.db2.gz KTLOCZHKURWFCC-CTNGQTDRSA-N 2 1 325.500 3.206 20 0 EGADMP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638838515 461607407 /nfs/dbraw/zinc/60/74/07/461607407.db2.gz KTLOCZHKURWFCC-CTNGQTDRSA-N 3 1 325.500 3.206 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638838515 461607414 /nfs/dbraw/zinc/60/74/14/461607414.db2.gz KTLOCZHKURWFCC-CTNGQTDRSA-N 3 1 325.500 3.206 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638838515 461607420 /nfs/dbraw/zinc/60/74/20/461607420.db2.gz KTLOCZHKURWFCC-CTNGQTDRSA-N 3 1 325.500 3.206 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638838515 461607429 /nfs/dbraw/zinc/60/74/29/461607429.db2.gz KTLOCZHKURWFCC-CTNGQTDRSA-N 3 1 325.500 3.206 20 0 EGADMP C[N@@H+]1CCCC12CC[NH+](CC[C@H]1Sc3ccccc3NC1=O)CC2 ZINC000660167406 461616480 /nfs/dbraw/zinc/61/64/80/461616480.db2.gz SNFZXCGQOGYFFQ-QGZVFWFLSA-N 2 1 345.512 3.050 20 0 EGADMP C[N@H+]1CCCC12CC[NH+](CC[C@H]1Sc3ccccc3NC1=O)CC2 ZINC000660167406 461616488 /nfs/dbraw/zinc/61/64/88/461616488.db2.gz SNFZXCGQOGYFFQ-QGZVFWFLSA-N 2 1 345.512 3.050 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(OC)ns2)CC1)CC1CC1 ZINC000660168183 461619835 /nfs/dbraw/zinc/61/98/35/461619835.db2.gz IETSNIBECBENOZ-UHFFFAOYSA-N 2 1 337.533 3.486 20 0 EGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCCC1CC1 ZINC000643226990 461639226 /nfs/dbraw/zinc/63/92/26/461639226.db2.gz ZFCJEZPJZYXDCN-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(F)c1N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638915398 461647874 /nfs/dbraw/zinc/64/78/74/461647874.db2.gz LQTUDZYSJRLTGL-YJBOKZPZSA-N 2 1 327.447 3.408 20 0 EGADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)C2 ZINC000663464644 461652687 /nfs/dbraw/zinc/65/26/87/461652687.db2.gz FOAIDVYTNSVGBB-IEBWSBKVSA-N 2 1 328.500 3.264 20 0 EGADMP CCc1noc(C2CCC([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)CC2)n1 ZINC000663469134 461658039 /nfs/dbraw/zinc/65/80/39/461658039.db2.gz OUIQBLBCVOHLAW-WWDZGPRUSA-N 2 1 346.519 3.370 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(OC)c1 ZINC000663470629 461659742 /nfs/dbraw/zinc/65/97/42/461659742.db2.gz VQYYFVYILDCPNG-NVXWUHKLSA-N 2 1 332.488 3.476 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(OC)c1 ZINC000663470629 461659753 /nfs/dbraw/zinc/65/97/53/461659753.db2.gz VQYYFVYILDCPNG-NVXWUHKLSA-N 2 1 332.488 3.476 20 0 EGADMP Fc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000656230463 461660553 /nfs/dbraw/zinc/66/05/53/461660553.db2.gz ABQMGKVDLRFUNZ-MRXNPFEDSA-N 2 1 329.419 3.065 20 0 EGADMP Fc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000647482438 461729155 /nfs/dbraw/zinc/72/91/55/461729155.db2.gz FUIHLICSNOUZGS-UHFFFAOYSA-N 2 1 346.368 3.483 20 0 EGADMP Fc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000647482438 461729161 /nfs/dbraw/zinc/72/91/61/461729161.db2.gz FUIHLICSNOUZGS-UHFFFAOYSA-N 2 1 346.368 3.483 20 0 EGADMP CC[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC[C@@H]1[NH3+] ZINC000647497644 461737197 /nfs/dbraw/zinc/73/71/97/461737197.db2.gz OIBWMEBZDGVXGT-OCCSQVGLSA-N 2 1 334.357 3.326 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC[C@@H]1[NH3+] ZINC000647497644 461737204 /nfs/dbraw/zinc/73/72/04/461737204.db2.gz OIBWMEBZDGVXGT-OCCSQVGLSA-N 2 1 334.357 3.326 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)CC[C@@H]1[NH3+] ZINC000647498619 461737225 /nfs/dbraw/zinc/73/72/25/461737225.db2.gz LEHZFYNAVSHAEX-YOEHRIQHSA-N 2 1 338.455 3.393 20 0 EGADMP CC[C@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)CC[C@@H]1[NH3+] ZINC000647498717 461737533 /nfs/dbraw/zinc/73/75/33/461737533.db2.gz OBXDYWWEDNSKGR-LPHOPBHVSA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)CC[C@@H]1[NH3+] ZINC000647498717 461737543 /nfs/dbraw/zinc/73/75/43/461737543.db2.gz OBXDYWWEDNSKGR-LPHOPBHVSA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)CC[C@H]1[NH3+] ZINC000647498774 461738358 /nfs/dbraw/zinc/73/83/58/461738358.db2.gz QGTTYZLHWYXCSD-PZJWPPBQSA-N 2 1 340.515 3.416 20 0 EGADMP CC[C@H](C)Oc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000647511769 461742206 /nfs/dbraw/zinc/74/22/06/461742206.db2.gz AYIUHBISYGHLNR-OWLYRPNTSA-N 2 1 332.488 3.432 20 0 EGADMP COc1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc(OC)c1OC ZINC000643546739 461758800 /nfs/dbraw/zinc/75/88/00/461758800.db2.gz UGBCUDVARMGWMQ-UKRRQHHQSA-N 2 1 334.460 3.038 20 0 EGADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc(OC)c1OC ZINC000643546737 461759697 /nfs/dbraw/zinc/75/96/97/461759697.db2.gz UGBCUDVARMGWMQ-DZGCQCFKSA-N 2 1 334.460 3.038 20 0 EGADMP Cn1ccnc1C[C@H](NCc1ccc2c(n1)CCC2)c1ccccc1 ZINC000656503604 461769028 /nfs/dbraw/zinc/76/90/28/461769028.db2.gz PQKKSMWCBKYJND-FQEVSTJZSA-N 2 1 332.451 3.377 20 0 EGADMP c1cc2c(cc[nH+]c2NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)[nH]1 ZINC000663844250 461833115 /nfs/dbraw/zinc/83/31/15/461833115.db2.gz AVYRWPJFGZFCQQ-KRWDZBQOSA-N 2 1 336.439 3.266 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1CC(F)(F)F)CCO2 ZINC000639288655 461844802 /nfs/dbraw/zinc/84/48/02/461844802.db2.gz TVEKBJSKUQUJGD-UHFFFAOYSA-N 2 1 342.405 3.088 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1CC(F)(F)F)CCO2 ZINC000639288655 461844810 /nfs/dbraw/zinc/84/48/10/461844810.db2.gz TVEKBJSKUQUJGD-UHFFFAOYSA-N 2 1 342.405 3.088 20 0 EGADMP CC(C)CO[C@@H](C)c1noc(C[N@H+](C)CCCC2CC[NH2+]CC2)n1 ZINC000647890813 461872395 /nfs/dbraw/zinc/87/23/95/461872395.db2.gz YIMFMJSJSGYVJV-HNNXBMFYSA-N 2 1 338.496 3.015 20 0 EGADMP CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)CCCC2CC[NH2+]CC2)n1 ZINC000647890813 461872400 /nfs/dbraw/zinc/87/24/00/461872400.db2.gz YIMFMJSJSGYVJV-HNNXBMFYSA-N 2 1 338.496 3.015 20 0 EGADMP COc1cc(C)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000656785982 461895013 /nfs/dbraw/zinc/89/50/13/461895013.db2.gz OUNMMPAHJUEXBJ-KRWDZBQOSA-N 2 1 332.488 3.224 20 0 EGADMP c1sc(-c2ccccn2)nc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656785571 461895240 /nfs/dbraw/zinc/89/52/40/461895240.db2.gz MHIGCRKFRJBUCB-INIZCTEOSA-N 2 1 342.512 3.417 20 0 EGADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707154 461898882 /nfs/dbraw/zinc/89/88/82/461898882.db2.gz ZOTQMAWBSHQJTL-FDQGKXFDSA-N 2 1 338.879 3.067 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000650708057 461902399 /nfs/dbraw/zinc/90/23/99/461902399.db2.gz SQNAEQISYOTGRJ-LXZKKBNFSA-N 2 1 326.843 3.197 20 0 EGADMP CSc1ccc(NC(=O)[C@@H](C)N2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660655147 461905337 /nfs/dbraw/zinc/90/53/37/461905337.db2.gz KOIODGXQJDNFEW-DNVCBOLYSA-N 2 1 347.528 3.153 20 0 EGADMP COc1cccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1OC(F)F ZINC000666999469 461905517 /nfs/dbraw/zinc/90/55/17/461905517.db2.gz LASZACWTKNGUAN-ZDUSSCGKSA-N 2 1 326.387 3.061 20 0 EGADMP C[C@H]1C[C@@H](NCc2ccc(C[NH3+])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000650718138 461909862 /nfs/dbraw/zinc/90/98/62/461909862.db2.gz ZMHVQFDVJNGWQS-JXFKEZNVSA-N 3 1 341.474 3.427 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)CCN1Cc1ccccc1 ZINC000650718138 461909866 /nfs/dbraw/zinc/90/98/66/461909866.db2.gz ZMHVQFDVJNGWQS-JXFKEZNVSA-N 3 1 341.474 3.427 20 0 EGADMP Cc1nc2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)cc2s1 ZINC000650723024 461914093 /nfs/dbraw/zinc/91/40/93/461914093.db2.gz GKYXNNFRYLLHQH-JQHSSLGASA-N 2 1 345.512 3.466 20 0 EGADMP COc1ccccc1/C=C/C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723080 461914270 /nfs/dbraw/zinc/91/42/70/461914270.db2.gz HFRGMAMEENWQQW-KXXUSHNASA-N 2 1 330.472 3.069 20 0 EGADMP COc1ccc([C@H](C)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650723035 461914573 /nfs/dbraw/zinc/91/45/73/461914573.db2.gz GOIPAUMJGISINV-QOJCHSLYSA-N 2 1 332.488 3.160 20 0 EGADMP Cc1ccccc1-c1noc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647975744 461916963 /nfs/dbraw/zinc/91/69/63/461916963.db2.gz FKCQFHMLOSCOSN-SJORKVTESA-N 2 1 340.471 3.257 20 0 EGADMP CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976326 461918932 /nfs/dbraw/zinc/91/89/32/461918932.db2.gz NCCHGPKYLNBNAB-OALUTQOASA-N 2 1 343.515 3.208 20 0 EGADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000647976298 461919435 /nfs/dbraw/zinc/91/94/35/461919435.db2.gz MRZWJDVUHIKFNH-HOTGVXAUSA-N 2 1 349.906 3.380 20 0 EGADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977951 461920766 /nfs/dbraw/zinc/92/07/66/461920766.db2.gz KCLLBRAVDFGTHI-YTQUADARSA-N 2 1 343.515 3.288 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC000647978894 461920997 /nfs/dbraw/zinc/92/09/97/461920997.db2.gz ZXQYTKKWVCQMKC-IPMKNSEASA-N 2 1 343.515 3.342 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C[NH3+])cc1F ZINC000650751851 461933826 /nfs/dbraw/zinc/93/38/26/461933826.db2.gz CLPVYZNLZGQQHU-KKSFZXQISA-N 2 1 341.474 3.285 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650751851 461933832 /nfs/dbraw/zinc/93/38/32/461933832.db2.gz CLPVYZNLZGQQHU-KKSFZXQISA-N 2 1 341.474 3.285 20 0 EGADMP Fc1ccc(COc2cccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)c(F)c1 ZINC000648014255 461942823 /nfs/dbraw/zinc/94/28/23/461942823.db2.gz KGDURSCGKPXOFY-CALCHBBNSA-N 2 1 344.405 3.195 20 0 EGADMP Fc1ccc(COc2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)c(F)c1 ZINC000648014255 461942825 /nfs/dbraw/zinc/94/28/25/461942825.db2.gz KGDURSCGKPXOFY-CALCHBBNSA-N 2 1 344.405 3.195 20 0 EGADMP CCc1nc(C)c(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)o1 ZINC000644447715 461956839 /nfs/dbraw/zinc/95/68/39/461956839.db2.gz HHTMCJNAYBHLQB-UHFFFAOYSA-N 2 1 343.471 3.310 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000644548518 461981441 /nfs/dbraw/zinc/98/14/41/461981441.db2.gz RJGQHLCQTRXPIA-ATKRNPRHSA-N 2 1 338.495 3.189 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000644548518 461981445 /nfs/dbraw/zinc/98/14/45/461981445.db2.gz RJGQHLCQTRXPIA-ATKRNPRHSA-N 2 1 338.495 3.189 20 0 EGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]3CC[N@H+]3C(C)(C)C)ccc21 ZINC000667196884 461991641 /nfs/dbraw/zinc/99/16/41/461991641.db2.gz GXCLOKGAJOQHFZ-FUHWJXTLSA-N 2 1 344.503 3.230 20 0 EGADMP NC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000664384005 462039883 /nfs/dbraw/zinc/03/98/83/462039883.db2.gz BQPORDJNXCJCAY-SFHVURJKSA-N 2 1 343.515 3.150 20 0 EGADMP Cc1c(Br)cncc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000657334226 462052837 /nfs/dbraw/zinc/05/28/37/462052837.db2.gz QCKXHQGZRMBHER-UHFFFAOYSA-N 2 1 338.293 3.259 20 0 EGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657335506 462054506 /nfs/dbraw/zinc/05/45/06/462054506.db2.gz KPZLBMIVDNGXMH-HXUWFJFHSA-N 2 1 332.488 3.208 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnn1CC1CC1 ZINC000657386525 462089545 /nfs/dbraw/zinc/08/95/45/462089545.db2.gz HOCNFSHEFFALHJ-UTKZUKDTSA-N 2 1 338.499 3.293 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnn1CC1CC1 ZINC000657386525 462089550 /nfs/dbraw/zinc/08/95/50/462089550.db2.gz HOCNFSHEFFALHJ-UTKZUKDTSA-N 2 1 338.499 3.293 20 0 EGADMP COc1ncc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c2ccccc21 ZINC000639754806 462091943 /nfs/dbraw/zinc/09/19/43/462091943.db2.gz AUBXKUGFCALHDY-UHFFFAOYSA-N 2 1 325.456 3.161 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000667534869 462132024 /nfs/dbraw/zinc/13/20/24/462132024.db2.gz NPWHPKZHOMCFKI-OAQYLSRUSA-N 2 1 346.515 3.407 20 0 EGADMP Cc1[nH]c2ncnc(NCC[N@H+]3CCc4sccc4C3)c2c1C ZINC000645134882 462195694 /nfs/dbraw/zinc/19/56/94/462195694.db2.gz QVKFRFTXFXIVAA-UHFFFAOYSA-N 2 1 327.457 3.106 20 0 EGADMP Cc1[nH]c2ncnc(NCCN3CCc4sccc4C3)c2c1C ZINC000645134882 462195695 /nfs/dbraw/zinc/19/56/95/462195695.db2.gz QVKFRFTXFXIVAA-UHFFFAOYSA-N 2 1 327.457 3.106 20 0 EGADMP C[NH+](C)CCOc1ccc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000657675448 462225653 /nfs/dbraw/zinc/22/56/53/462225653.db2.gz VGYPYPBQTMHHFM-IBGZPJMESA-N 2 1 345.531 3.124 20 0 EGADMP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)cc1 ZINC000657675448 462225655 /nfs/dbraw/zinc/22/56/55/462225655.db2.gz VGYPYPBQTMHHFM-IBGZPJMESA-N 2 1 345.531 3.124 20 0 EGADMP [NH3+]Cc1cccc(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000667731550 462235909 /nfs/dbraw/zinc/23/59/09/462235909.db2.gz WSAYMHCHRDUYOH-UHFFFAOYSA-N 2 1 344.503 3.265 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3c2CCC3)[C@@H](C)C1 ZINC000651709573 462310950 /nfs/dbraw/zinc/31/09/50/462310950.db2.gz AFXPWTHMFWBFIX-LAUBAEHRSA-N 2 1 330.516 3.402 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(O)(CC)CC)[C@@H](C)C1 ZINC000658106695 462387641 /nfs/dbraw/zinc/38/76/41/462387641.db2.gz AUEVSLRDAJZNHD-ZWKOTPCHSA-N 2 1 342.568 3.290 20 0 EGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2c(C3CC3)cnn2C)CC1 ZINC000658212337 462431098 /nfs/dbraw/zinc/43/10/98/462431098.db2.gz HKXDYKPAOMSHKC-DNVCBOLYSA-N 2 1 330.520 3.430 20 0 EGADMP CC(C)C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000649211577 462440536 /nfs/dbraw/zinc/44/05/36/462440536.db2.gz VNNAPABVJZWOBW-KVPLUYHFSA-N 2 1 345.531 3.208 20 0 EGADMP CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000649211578 462440963 /nfs/dbraw/zinc/44/09/63/462440963.db2.gz VNNAPABVJZWOBW-ONCXSQPRSA-N 2 1 345.531 3.208 20 0 EGADMP CN(c1nc2cccc(F)c2s1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000649275342 462465824 /nfs/dbraw/zinc/46/58/24/462465824.db2.gz NDKVACWSLMOQDP-CQSZACIVSA-N 2 1 348.491 3.040 20 0 EGADMP CN(c1nc2cccc(F)c2s1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000649275342 462465827 /nfs/dbraw/zinc/46/58/27/462465827.db2.gz NDKVACWSLMOQDP-CQSZACIVSA-N 2 1 348.491 3.040 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3ccsc3)CC2)CC1 ZINC000655059841 462467869 /nfs/dbraw/zinc/46/78/69/462467869.db2.gz QDHGFBPMINVVSA-OAHLLOKOSA-N 2 1 349.544 3.122 20 0 EGADMP C[N@@H+](CCCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)C1CCCCC1 ZINC000649293875 462469078 /nfs/dbraw/zinc/46/90/78/462469078.db2.gz NSGDYPDFZYMPRI-QGZVFWFLSA-N 2 1 337.895 3.111 20 0 EGADMP COc1ccccc1-c1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)on1 ZINC000658355098 462489150 /nfs/dbraw/zinc/48/91/50/462489150.db2.gz APFKBYSFUJUTOS-WDYCEAGBSA-N 2 1 341.455 3.313 20 0 EGADMP COc1ccccc1-c1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)on1 ZINC000658355098 462489153 /nfs/dbraw/zinc/48/91/53/462489153.db2.gz APFKBYSFUJUTOS-WDYCEAGBSA-N 2 1 341.455 3.313 20 0 EGADMP Fc1ccc([C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)c2ncc[nH]2)cc1 ZINC000658358008 462489731 /nfs/dbraw/zinc/48/97/31/462489731.db2.gz XGNJFWROUUJQON-LJQANCHMSA-N 2 1 342.462 3.350 20 0 EGADMP Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CCCC2CC[NH2+]CC2)cn1 ZINC000649412189 462502125 /nfs/dbraw/zinc/50/21/25/462502125.db2.gz SDMSMJHMTBGXKR-HXUWFJFHSA-N 2 1 344.478 3.360 20 0 EGADMP Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000649418544 462504345 /nfs/dbraw/zinc/50/43/45/462504345.db2.gz UWFUPHHIYLHGJY-IRXDYDNUSA-N 2 1 325.456 3.472 20 0 EGADMP C[C@H]1C[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000166275547 534112814 /nfs/dbraw/zinc/11/28/14/534112814.db2.gz KXEZRBIIHMNXMG-JXFKEZNVSA-N 2 1 345.506 3.047 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccccc1 ZINC000191483361 528861936 /nfs/dbraw/zinc/86/19/36/528861936.db2.gz WFPWHIOHUNDJAE-KRWDZBQOSA-N 2 1 342.487 3.035 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccccc1 ZINC000191483361 528861944 /nfs/dbraw/zinc/86/19/44/528861944.db2.gz WFPWHIOHUNDJAE-KRWDZBQOSA-N 2 1 342.487 3.035 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)N1CCCC1 ZINC000089723931 546647467 /nfs/dbraw/zinc/64/74/67/546647467.db2.gz XQKPXOWTKLDLNP-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)CC1 ZINC000122397630 546733384 /nfs/dbraw/zinc/73/33/84/546733384.db2.gz YRKIOQJTHIRFGA-UHFFFAOYSA-N 2 1 329.488 3.389 20 0 EGADMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000131444353 546806021 /nfs/dbraw/zinc/80/60/21/546806021.db2.gz QKGBEPYYOBEHCX-QGZVFWFLSA-N 2 1 338.904 3.471 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166817541 546989837 /nfs/dbraw/zinc/98/98/37/546989837.db2.gz CAZUOKRYFYNSDZ-RBUKOAKNSA-N 2 1 332.488 3.127 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166817541 546989841 /nfs/dbraw/zinc/98/98/41/546989841.db2.gz CAZUOKRYFYNSDZ-RBUKOAKNSA-N 2 1 332.488 3.127 20 0 EGADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000181060689 547064709 /nfs/dbraw/zinc/06/47/09/547064709.db2.gz POHGGKOTDCFGJO-MRXNPFEDSA-N 2 1 342.487 3.086 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cnc(C)s2)[C@@H](C)C1 ZINC000245581997 547265491 /nfs/dbraw/zinc/26/54/91/547265491.db2.gz JOBLKHWUUFLESV-DZKIICNBSA-N 2 1 325.522 3.239 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cnc(C)s2)[C@@H](C)C1 ZINC000245581997 547265498 /nfs/dbraw/zinc/26/54/98/547265498.db2.gz JOBLKHWUUFLESV-DZKIICNBSA-N 2 1 325.522 3.239 20 0 EGADMP CCOC[C@@H]1CCC[N@@H+](CC[C@H](C)[NH+]2CCC[C@H](COCC)C2)C1 ZINC000245696388 547267888 /nfs/dbraw/zinc/26/78/88/547267888.db2.gz SFHCCKPRXNUXSU-ZCNNSNEGSA-N 2 1 340.552 3.262 20 0 EGADMP CCOC[C@@H]1CCC[NH+](CC[C@H](C)[N@@H+]2CCC[C@H](COCC)C2)C1 ZINC000245696388 547267892 /nfs/dbraw/zinc/26/78/92/547267892.db2.gz SFHCCKPRXNUXSU-ZCNNSNEGSA-N 2 1 340.552 3.262 20 0 EGADMP CCOC[C@@H]1CCC[NH+](CC[C@H](C)[N@H+]2CCC[C@H](COCC)C2)C1 ZINC000245696388 547267894 /nfs/dbraw/zinc/26/78/94/547267894.db2.gz SFHCCKPRXNUXSU-ZCNNSNEGSA-N 2 1 340.552 3.262 20 0 EGADMP CC[NH+](CC)Cc1ccc(CNC(=O)CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000339240176 547571023 /nfs/dbraw/zinc/57/10/23/547571023.db2.gz ONGHNUVVUKTWGX-GOSISDBHSA-N 2 1 345.531 3.409 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000348112203 547627697 /nfs/dbraw/zinc/62/76/97/547627697.db2.gz WFURPTOTNGGDPN-NHCUHLMSSA-N 2 1 327.516 3.102 20 0 EGADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000385723561 547822679 /nfs/dbraw/zinc/82/26/79/547822679.db2.gz JMSHXLUYZJPBDC-SFTDATJTSA-N 2 1 340.515 3.410 20 0 EGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000433124741 547897873 /nfs/dbraw/zinc/89/78/73/547897873.db2.gz FPEZLSWPVNOERG-GTPINHCMSA-N 2 1 349.485 3.361 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(C3CCCC3)cc2)CC1(C)C ZINC000462902654 547944985 /nfs/dbraw/zinc/94/49/85/547944985.db2.gz OKEXEFGUVXVGGL-UHFFFAOYSA-N 2 1 329.532 3.460 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000548884967 548063067 /nfs/dbraw/zinc/06/30/67/548063067.db2.gz ISBSFVWXENZALL-PWRODBHTSA-N 2 1 327.516 3.102 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c(C)c1OC ZINC000673605065 548581593 /nfs/dbraw/zinc/58/15/93/548581593.db2.gz GOMJGBQHNRKANS-QGZVFWFLSA-N 2 1 334.504 3.470 20 0 EGADMP c1[nH]nc2c1CCC[C@@H]2[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000675765713 548976058 /nfs/dbraw/zinc/97/60/58/548976058.db2.gz NTMWOHSXEFXCQW-IBGZPJMESA-N 2 1 340.471 3.052 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3[nH]2)[C@H](C)C1 ZINC000675789728 548981416 /nfs/dbraw/zinc/98/14/16/548981416.db2.gz JWYWLJHVLGIIRQ-APWZRJJASA-N 2 1 329.488 3.395 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1F ZINC000675882939 548996177 /nfs/dbraw/zinc/99/61/77/548996177.db2.gz VOEJGXJWSOJYTR-YOEHRIQHSA-N 2 1 336.451 3.128 20 0 EGADMP c1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675883225 548996565 /nfs/dbraw/zinc/99/65/65/548996565.db2.gz YLDAZZKWRAXADD-HKUYNNGSSA-N 2 1 330.472 3.133 20 0 EGADMP C([C@H]1CCCO1)N1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000675883395 548996954 /nfs/dbraw/zinc/99/69/54/548996954.db2.gz ZOJXRDDMGFLAFO-OAQYLSRUSA-N 2 1 349.563 3.017 20 0 EGADMP COc1ccc(COCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000676712499 549133955 /nfs/dbraw/zinc/13/39/55/549133955.db2.gz JPTLXJGSFLZXCG-RXVVDRJESA-N 2 1 344.499 3.161 20 0 EGADMP COc1ccc(COCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000676712499 549133959 /nfs/dbraw/zinc/13/39/59/549133959.db2.gz JPTLXJGSFLZXCG-RXVVDRJESA-N 2 1 344.499 3.161 20 0 EGADMP COc1ccc(COCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000676712499 549133964 /nfs/dbraw/zinc/13/39/64/549133964.db2.gz JPTLXJGSFLZXCG-RXVVDRJESA-N 2 1 344.499 3.161 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000678142987 549408889 /nfs/dbraw/zinc/40/88/89/549408889.db2.gz RDRIREFLVVBHTH-HXUWFJFHSA-N 2 1 325.456 3.359 20 0 EGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000678340799 549472942 /nfs/dbraw/zinc/47/29/42/549472942.db2.gz QWWCLVWJKGMSAN-WOJBJXKFSA-N 2 1 346.515 3.407 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(COC3CCOCC3)cc2)CC1 ZINC000678774582 549559112 /nfs/dbraw/zinc/55/91/12/549559112.db2.gz MSUDGRAHCYFLRD-UHFFFAOYSA-N 2 1 346.515 3.346 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(CO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000678929326 549596977 /nfs/dbraw/zinc/59/69/77/549596977.db2.gz KQDVABWMVLLSSK-XMSQKQJNSA-N 2 1 338.495 3.364 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(CO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000678929326 549596981 /nfs/dbraw/zinc/59/69/81/549596981.db2.gz KQDVABWMVLLSSK-XMSQKQJNSA-N 2 1 338.495 3.364 20 0 EGADMP OC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000679721607 549768098 /nfs/dbraw/zinc/76/80/98/549768098.db2.gz PJBKEALBKNDJID-VAMGGRTRSA-N 2 1 328.500 3.182 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CN1CCCCC1)c1ccccc1 ZINC000679936732 549792951 /nfs/dbraw/zinc/79/29/51/549792951.db2.gz BDVYLXWKDWFEOX-FQEVSTJZSA-N 2 1 326.488 3.398 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2cnc(C)nc2C)CC1 ZINC000682069772 550068267 /nfs/dbraw/zinc/06/82/67/550068267.db2.gz AAVCDPJESNBXIK-QGZVFWFLSA-N 2 1 348.535 3.225 20 0 EGADMP COc1cc(C)c([C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000682070154 550068755 /nfs/dbraw/zinc/06/87/55/550068755.db2.gz KIWQEJMWLVUVOF-ZWKOTPCHSA-N 2 1 348.531 3.398 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000685452306 550417837 /nfs/dbraw/zinc/41/78/37/550417837.db2.gz FPKRYFYORAHBCF-HXUWFJFHSA-N 2 1 325.456 3.359 20 0 EGADMP Cc1cc(C)c(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000685458042 550419265 /nfs/dbraw/zinc/41/92/65/550419265.db2.gz YVJWXLHQWGDFTK-NRFANRHFSA-N 2 1 329.532 3.212 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000685850673 550447987 /nfs/dbraw/zinc/44/79/87/550447987.db2.gz CVOVWRCELWQDMK-WOJBJXKFSA-N 2 1 344.499 3.161 20 0 EGADMP CCc1ccc2c(C[N@H+]3CCC[C@H](n4ccnc4)C3)cc(=O)oc2c1 ZINC000729265864 574834815 /nfs/dbraw/zinc/83/48/15/574834815.db2.gz QTHZPHQCLLQTBP-KRWDZBQOSA-N 2 1 337.423 3.389 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1 ZINC000733165832 575312072 /nfs/dbraw/zinc/31/20/72/575312072.db2.gz MXHAGCPCTUKHIR-IBGZPJMESA-N 2 1 333.520 3.235 20 0 EGADMP Clc1ccc2[nH+]ccc(NC3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC000734141023 575440969 /nfs/dbraw/zinc/44/09/69/575440969.db2.gz BLNDGGGZSCYJDT-MRXNPFEDSA-N 2 1 345.874 3.365 20 0 EGADMP COc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)cc1 ZINC000678686100 576169414 /nfs/dbraw/zinc/16/94/14/576169414.db2.gz OGWHKMGLMDSAQP-RTWAWAEBSA-N 2 1 344.499 3.379 20 0 EGADMP CN(Cc1cc2c(s1)CC[NH2+]C2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000688033236 1298121900 /nfs/dbraw/zinc/12/19/00/1298121900.db2.gz QCYVTWRMAXPKDQ-SFHVURJKSA-N 2 1 341.524 3.100 20 0 EGADMP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000688033236 1298121906 /nfs/dbraw/zinc/12/19/06/1298121906.db2.gz QCYVTWRMAXPKDQ-SFHVURJKSA-N 2 1 341.524 3.100 20 0 EGADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000688033236 1298121912 /nfs/dbraw/zinc/12/19/12/1298121912.db2.gz QCYVTWRMAXPKDQ-SFHVURJKSA-N 2 1 341.524 3.100 20 0 EGADMP COc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)cc1OCc1cccnc1 ZINC000895300512 1309275746 /nfs/dbraw/zinc/27/57/46/1309275746.db2.gz WYMLAPQSBKDFSP-INIZCTEOSA-N 2 1 343.471 3.099 20 0 EGADMP C[C@H]1CCC[C@](CNCc2ccc(OCC[NH+](C)C)cc2)([NH+](C)C)C1 ZINC000060528197 1291927539 /nfs/dbraw/zinc/92/75/39/1291927539.db2.gz OKGGNJSBMZRIBQ-RXVVDRJESA-N 2 1 347.547 3.227 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(F)cc3)cc2)CC1 ZINC000061070121 1291958943 /nfs/dbraw/zinc/95/89/43/1291958943.db2.gz MILKZYYAGOXPLE-UHFFFAOYSA-N 2 1 341.474 3.253 20 0 EGADMP Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1F ZINC000067121434 1292148411 /nfs/dbraw/zinc/14/84/11/1292148411.db2.gz YZNRQZMOIWFICY-UHFFFAOYSA-N 2 1 341.474 3.171 20 0 EGADMP c1cc(COc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)cc2)ccn1 ZINC000067693919 1292169512 /nfs/dbraw/zinc/16/95/12/1292169512.db2.gz RAVOKBSNRLJOJH-LEWJYISDSA-N 2 1 337.467 3.377 20 0 EGADMP c1cc(COc2ccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)cc2)ccn1 ZINC000067693919 1292169519 /nfs/dbraw/zinc/16/95/19/1292169519.db2.gz RAVOKBSNRLJOJH-LEWJYISDSA-N 2 1 337.467 3.377 20 0 EGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000073079443 1292304154 /nfs/dbraw/zinc/30/41/54/1292304154.db2.gz RYCUQLWACJHAHK-OAQYLSRUSA-N 2 1 345.531 3.042 20 0 EGADMP Fc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)ccc1Cl ZINC000076762656 1292441123 /nfs/dbraw/zinc/44/11/23/1292441123.db2.gz CHWQUVCUZFWRAL-CQSZACIVSA-N 2 1 326.843 3.070 20 0 EGADMP C[C@@H](C[NH2+]Cc1cnn(-c2ccc(F)cc2)c1)C[NH+]1CCCCC1 ZINC000077401920 1292462802 /nfs/dbraw/zinc/46/28/02/1292462802.db2.gz PCFLSVRPKOONBO-INIZCTEOSA-N 2 1 330.451 3.223 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000097465636 1292961207 /nfs/dbraw/zinc/96/12/07/1292961207.db2.gz WIJIFZWTHITSHN-SFHVURJKSA-N 2 1 334.467 3.457 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccncc3)CC2)cs1 ZINC000111397496 1293104100 /nfs/dbraw/zinc/10/41/00/1293104100.db2.gz RYTRXSURPBGIKM-UHFFFAOYSA-N 2 1 330.501 3.102 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cccnc3)CC2)cs1 ZINC000111397481 1293104137 /nfs/dbraw/zinc/10/41/37/1293104137.db2.gz PXRORECULGTZGX-UHFFFAOYSA-N 2 1 330.501 3.102 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1nc(Br)cs1 ZINC000834566293 1293117204 /nfs/dbraw/zinc/11/72/04/1293117204.db2.gz IMGUBWAUYYEQTH-ZJUUUORDSA-N 2 1 343.294 3.397 20 0 EGADMP COCc1cc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)ccc1OC ZINC000178703538 1294751952 /nfs/dbraw/zinc/75/19/52/1294751952.db2.gz QEJAXRBPFXEJAE-GJZGRUSLSA-N 2 1 331.460 3.333 20 0 EGADMP CCCCC[C@H](C)NC(=O)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185675101 1295278394 /nfs/dbraw/zinc/27/83/94/1295278394.db2.gz FHYWCUWUBLJLGP-RCCFBDPRSA-N 2 1 337.552 3.314 20 0 EGADMP CCCCC[C@H](C)NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185675101 1295278405 /nfs/dbraw/zinc/27/84/05/1295278405.db2.gz FHYWCUWUBLJLGP-RCCFBDPRSA-N 2 1 337.552 3.314 20 0 EGADMP CCCCC[C@H](C)NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185675101 1295278413 /nfs/dbraw/zinc/27/84/13/1295278413.db2.gz FHYWCUWUBLJLGP-RCCFBDPRSA-N 2 1 337.552 3.314 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H](NCc2cnc(Cl)s2)[C@H](C)C1 ZINC000187019875 1295362768 /nfs/dbraw/zinc/36/27/68/1295362768.db2.gz QXLIMWPFZDXJLX-TZMCWYRMSA-N 2 1 331.913 3.023 20 0 EGADMP CC(C)[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000870957244 1296154747 /nfs/dbraw/zinc/15/47/47/1296154747.db2.gz BPQFBYFFSIIYEU-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000870958967 1296155478 /nfs/dbraw/zinc/15/54/78/1296155478.db2.gz OLVCORWHIOUESN-HXUWFJFHSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1c(C)noc1C ZINC000236874331 1296209947 /nfs/dbraw/zinc/20/99/47/1296209947.db2.gz XEIGKHJBKGEQHW-UHFFFAOYSA-N 2 1 331.460 3.302 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC(CC)(CC)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000247223143 1296385026 /nfs/dbraw/zinc/38/50/26/1296385026.db2.gz WNSHJPFRMRSJAV-CVEARBPZSA-N 2 1 341.540 3.390 20 0 EGADMP CCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@H](C)c1cc2ccccc2o1 ZINC000262016220 1296615245 /nfs/dbraw/zinc/61/52/45/1296615245.db2.gz FVHUEMIEFKYXNC-MRXNPFEDSA-N 2 1 343.471 3.028 20 0 EGADMP Fc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1-c1cccs1 ZINC000262111868 1296618565 /nfs/dbraw/zinc/61/85/65/1296618565.db2.gz KOLNAJOIEDFGGV-MRXNPFEDSA-N 2 1 345.487 3.034 20 0 EGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(C(F)(F)F)co3)CC2)C1 ZINC000872145837 1296767733 /nfs/dbraw/zinc/76/77/33/1296767733.db2.gz WRCLAOYLUAPLBB-ZFWWWQNUSA-N 2 1 332.366 3.017 20 0 EGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccco3)no2)C1)C1CCCC1 ZINC000872156900 1296775342 /nfs/dbraw/zinc/77/53/42/1296775342.db2.gz MGWVDCMGGKVEDM-GOEBONIOSA-N 2 1 344.459 3.449 20 0 EGADMP C[N@@H+](CCCCCC[NH3+])[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000872157452 1296776936 /nfs/dbraw/zinc/77/69/36/1296776936.db2.gz OQUAEGHBPNYNPY-INIZCTEOSA-N 2 1 341.858 3.035 20 0 EGADMP C[C@H](C[C@@H](O)c1ccco1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000305742238 1297040607 /nfs/dbraw/zinc/04/06/07/1297040607.db2.gz NVWDOINUCVWRGY-YLJYHZDGSA-N 2 1 342.483 3.388 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000310045091 1297083868 /nfs/dbraw/zinc/08/38/68/1297083868.db2.gz BEEZBFIFHNGUPV-IKGGRYGDSA-N 2 1 341.540 3.484 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000310045091 1297083883 /nfs/dbraw/zinc/08/38/83/1297083883.db2.gz BEEZBFIFHNGUPV-IKGGRYGDSA-N 2 1 341.540 3.484 20 0 EGADMP CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000321847184 1297182526 /nfs/dbraw/zinc/18/25/26/1297182526.db2.gz BIYKDTKSRAATLT-VQHPVUNQSA-N 2 1 337.508 3.039 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1c(C)ccc(Br)c1F ZINC000873030985 1297233902 /nfs/dbraw/zinc/23/39/02/1297233902.db2.gz NLKKXZTWFXUZDZ-UHFFFAOYSA-N 2 1 326.213 3.191 20 0 EGADMP COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204439 1297351231 /nfs/dbraw/zinc/35/12/31/1297351231.db2.gz BJQXFEKLKASVJO-CQSZACIVSA-N 2 1 328.481 3.392 20 0 EGADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873207446 1297352034 /nfs/dbraw/zinc/35/20/34/1297352034.db2.gz BVCOXYNNELEGHU-QGZVFWFLSA-N 2 1 330.497 3.083 20 0 EGADMP Nc1cc(F)cc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000873287585 1297410903 /nfs/dbraw/zinc/41/09/03/1297410903.db2.gz GLMYEPXSQAOILT-UHFFFAOYSA-N 2 1 345.437 3.344 20 0 EGADMP C[C@@H](CC[NH2+]C[C@H](O)c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000379615037 1297535829 /nfs/dbraw/zinc/53/58/29/1297535829.db2.gz AAYUNSNICUCMON-YWZLYKJASA-N 2 1 348.437 3.498 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCCCCC[NH3+] ZINC000382728375 1297562926 /nfs/dbraw/zinc/56/29/26/1297562926.db2.gz XJOLNRIMPMCLIP-SFHVURJKSA-N 2 1 331.504 3.019 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CNC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000385484380 1297583404 /nfs/dbraw/zinc/58/34/04/1297583404.db2.gz BEDIZOMWGXYBGG-QAPCUYQASA-N 2 1 347.503 3.284 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000385484380 1297583410 /nfs/dbraw/zinc/58/34/10/1297583410.db2.gz BEDIZOMWGXYBGG-QAPCUYQASA-N 2 1 347.503 3.284 20 0 EGADMP c1ccc(C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc2)cc1 ZINC000393048623 1297663493 /nfs/dbraw/zinc/66/34/93/1297663493.db2.gz KVECPYGUQFKIDT-FSSWDIPSSA-N 2 1 336.479 3.423 20 0 EGADMP c1ccc(C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccccc2)cc1 ZINC000393048623 1297663503 /nfs/dbraw/zinc/66/35/03/1297663503.db2.gz KVECPYGUQFKIDT-FSSWDIPSSA-N 2 1 336.479 3.423 20 0 EGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CC[NH2+]C(C)(C)C ZINC000398173012 1297716193 /nfs/dbraw/zinc/71/61/93/1297716193.db2.gz VARWEIYJCOAHSE-SFHVURJKSA-N 2 1 333.520 3.037 20 0 EGADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCCC[NH3+] ZINC000404513037 1297755204 /nfs/dbraw/zinc/75/52/04/1297755204.db2.gz QTBPAWGBZRVFCB-OKZBNKHCSA-N 2 1 331.504 3.015 20 0 EGADMP COc1cncc(CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000700071433 1298175063 /nfs/dbraw/zinc/17/50/63/1298175063.db2.gz HGWXCGYFTXQQCD-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP COc1cncc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000700071433 1298175067 /nfs/dbraw/zinc/17/50/67/1298175067.db2.gz HGWXCGYFTXQQCD-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP COc1cncc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000700071433 1298175070 /nfs/dbraw/zinc/17/50/70/1298175070.db2.gz HGWXCGYFTXQQCD-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc2c1OCC2 ZINC000708539950 1298243988 /nfs/dbraw/zinc/24/39/88/1298243988.db2.gz FARFQAVZIKOVQE-DYESRHJHSA-N 2 1 336.479 3.479 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc2c1OCC2 ZINC000708539950 1298243998 /nfs/dbraw/zinc/24/39/98/1298243998.db2.gz FARFQAVZIKOVQE-DYESRHJHSA-N 2 1 336.479 3.479 20 0 EGADMP CCCCOC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000717621599 1298303766 /nfs/dbraw/zinc/30/37/66/1298303766.db2.gz RBQIZBNIOMUUQP-UHFFFAOYSA-N 2 1 332.488 3.174 20 0 EGADMP CCCCOC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000717621599 1298303779 /nfs/dbraw/zinc/30/37/79/1298303779.db2.gz RBQIZBNIOMUUQP-UHFFFAOYSA-N 2 1 332.488 3.174 20 0 EGADMP Cn1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(-c2cc(F)ccc2F)n1 ZINC000876596803 1298855832 /nfs/dbraw/zinc/85/58/32/1298855832.db2.gz KOOVRCDYZCPZAN-CQSZACIVSA-N 2 1 348.441 3.139 20 0 EGADMP Cn1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(-c2cc(F)ccc2F)n1 ZINC000876596803 1298855842 /nfs/dbraw/zinc/85/58/42/1298855842.db2.gz KOOVRCDYZCPZAN-CQSZACIVSA-N 2 1 348.441 3.139 20 0 EGADMP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(-c2cc(F)ccc2F)n1 ZINC000876596803 1298855852 /nfs/dbraw/zinc/85/58/52/1298855852.db2.gz KOOVRCDYZCPZAN-CQSZACIVSA-N 2 1 348.441 3.139 20 0 EGADMP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(-c2cc(F)ccc2F)n1 ZINC000876596803 1298855861 /nfs/dbraw/zinc/85/58/61/1298855861.db2.gz KOOVRCDYZCPZAN-CQSZACIVSA-N 2 1 348.441 3.139 20 0 EGADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000877137080 1299177421 /nfs/dbraw/zinc/17/74/21/1299177421.db2.gz RHERVWQXGYYBLR-PWRODBHTSA-N 2 1 349.478 3.494 20 0 EGADMP Cc1cc2ncn(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c2cc1C ZINC000755778407 1300394891 /nfs/dbraw/zinc/39/48/91/1300394891.db2.gz MDMUKYQIXTWVCV-GOSISDBHSA-N 2 1 326.488 3.274 20 0 EGADMP Cn1c2ccccc2n(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755777645 1300395760 /nfs/dbraw/zinc/39/57/60/1300395760.db2.gz ILUUMFBVCBNCFT-MRXNPFEDSA-N 2 1 344.528 3.330 20 0 EGADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000756106615 1300440359 /nfs/dbraw/zinc/44/03/59/1300440359.db2.gz PTEJBBKNAKASKR-UHFFFAOYSA-N 2 1 348.491 3.394 20 0 EGADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000879951382 1300799986 /nfs/dbraw/zinc/79/99/86/1300799986.db2.gz MKWZOYTZHLDWSA-GOSISDBHSA-N 2 1 336.520 3.055 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000880517556 1301146052 /nfs/dbraw/zinc/14/60/52/1301146052.db2.gz SFNURVZZNWBGCW-GOSISDBHSA-N 2 1 326.431 3.196 20 0 EGADMP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000882951224 1302179973 /nfs/dbraw/zinc/17/99/73/1302179973.db2.gz UUZYXRRMLOPMGS-LJQANCHMSA-N 2 1 327.472 3.238 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)[C@H](C)C1 ZINC000765750646 1302319128 /nfs/dbraw/zinc/31/91/28/1302319128.db2.gz CEVBREXAPUWFHJ-NVXWUHKLSA-N 2 1 339.524 3.096 20 0 EGADMP CO[C@@H]1CC[C@H]([NH+](C)[C@@H]2CC[C@@H]([N@H+](C)[C@H]3CC[C@H](OC)C3)CC2)C1 ZINC000886389451 1303454170 /nfs/dbraw/zinc/45/41/70/1303454170.db2.gz JSMBLKDBBALJAC-RPZLJYRGSA-N 2 1 338.536 3.296 20 0 EGADMP CO[C@@H]1CC[C@H]([N@@H+](C)[C@@H]2CC[C@@H]([NH+](C)[C@H]3CC[C@H](OC)C3)CC2)C1 ZINC000886389451 1303454173 /nfs/dbraw/zinc/45/41/73/1303454173.db2.gz JSMBLKDBBALJAC-RPZLJYRGSA-N 2 1 338.536 3.296 20 0 EGADMP CO[C@@H]1CC[C@H]([N@H+](C)[C@@H]2CC[C@@H]([NH+](C)[C@H]3CC[C@H](OC)C3)CC2)C1 ZINC000886389451 1303454177 /nfs/dbraw/zinc/45/41/77/1303454177.db2.gz JSMBLKDBBALJAC-RPZLJYRGSA-N 2 1 338.536 3.296 20 0 EGADMP Cc1[nH]c(C2CC[NH+](Cc3cccc4c3CCOC4)CC2)[nH+]c1C ZINC000886659253 1303541462 /nfs/dbraw/zinc/54/14/62/1303541462.db2.gz HSPOYAOUXXMVEN-UHFFFAOYSA-N 2 1 325.456 3.479 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)CC2)[nH+]c1C ZINC000886670367 1303549847 /nfs/dbraw/zinc/54/98/47/1303549847.db2.gz NKADKTDWIYTCRM-MRXNPFEDSA-N 2 1 334.508 3.240 20 0 EGADMP Clc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1Cl ZINC000886707723 1303572741 /nfs/dbraw/zinc/57/27/41/1303572741.db2.gz POVUCHAGGUPCMW-HNNXBMFYSA-N 2 1 343.298 3.379 20 0 EGADMP Fc1ccc(-c2cc(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)on2)cc1 ZINC000886869878 1303621427 /nfs/dbraw/zinc/62/14/27/1303621427.db2.gz KIINILAOAZDGLX-IBGZPJMESA-N 2 1 329.419 3.446 20 0 EGADMP Fc1ccc(-c2cc(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)on2)cc1 ZINC000886869878 1303621432 /nfs/dbraw/zinc/62/14/32/1303621432.db2.gz KIINILAOAZDGLX-IBGZPJMESA-N 2 1 329.419 3.446 20 0 EGADMP COC(=O)c1oc([C@H](C)[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1C ZINC000887132323 1303686171 /nfs/dbraw/zinc/68/61/71/1303686171.db2.gz CUELCHJQMANGHV-CABCVRRESA-N 2 1 343.427 3.041 20 0 EGADMP COC(=O)c1oc([C@H](C)[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1C ZINC000887132323 1303686178 /nfs/dbraw/zinc/68/61/78/1303686178.db2.gz CUELCHJQMANGHV-CABCVRRESA-N 2 1 343.427 3.041 20 0 EGADMP CC(C)[NH+]1CCN(c2cccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2)CC1 ZINC000774300130 1303795372 /nfs/dbraw/zinc/79/53/72/1303795372.db2.gz AFVNXENJDIWDLM-IHWFROFDSA-N 2 1 342.531 3.254 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CC[C@@H]3SCCS[C@@H]13)C2 ZINC000775364397 1303946969 /nfs/dbraw/zinc/94/69/69/1303946969.db2.gz MRSNPLWVWUEIGZ-QYZOEREBSA-N 2 1 348.581 3.404 20 0 EGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CC[C@@H]3SCCS[C@@H]13)C2 ZINC000775364397 1303946973 /nfs/dbraw/zinc/94/69/73/1303946973.db2.gz MRSNPLWVWUEIGZ-QYZOEREBSA-N 2 1 348.581 3.404 20 0 EGADMP CC(C)CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1(C)C ZINC000776159638 1304103392 /nfs/dbraw/zinc/10/33/92/1304103392.db2.gz YOOVUWLTHPUHDZ-GUDVDZBRSA-N 2 1 338.536 3.059 20 0 EGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000779023286 1304519661 /nfs/dbraw/zinc/51/96/61/1304519661.db2.gz FBFBORIOMVPVBG-RTWAWAEBSA-N 2 1 330.516 3.487 20 0 EGADMP Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)CC1CC[NH+](C)CC1 ZINC000892086429 1305246403 /nfs/dbraw/zinc/24/64/03/1305246403.db2.gz WFBCFGUVKUIVDY-UHFFFAOYSA-N 2 1 346.475 3.240 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C[C@H](CC(C)(C)C)CC2=O)CC1 ZINC000787219190 1305710933 /nfs/dbraw/zinc/71/09/33/1305710933.db2.gz HNICHQISUAXWEV-SFHVURJKSA-N 2 1 337.552 3.281 20 0 EGADMP COc1ccc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc1 ZINC000893226432 1305772285 /nfs/dbraw/zinc/77/22/85/1305772285.db2.gz RDONGAISKSOTPG-HKUYNNGSSA-N 2 1 339.483 3.481 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000788477581 1305951372 /nfs/dbraw/zinc/95/13/72/1305951372.db2.gz XRVJWCZISTYZGV-UHFFFAOYSA-N 3 1 329.532 3.172 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000788586644 1305976023 /nfs/dbraw/zinc/97/60/23/1305976023.db2.gz FDVWHOCNSLSHDY-SJLPKXTDSA-N 2 1 325.456 3.002 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc2oc(=O)oc2c1 ZINC000894779559 1309065279 /nfs/dbraw/zinc/06/52/79/1309065279.db2.gz IKDBGTDCRLOXBH-UHFFFAOYSA-N 2 1 329.400 3.057 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc2oc(=O)oc2c1 ZINC000894779559 1309065285 /nfs/dbraw/zinc/06/52/85/1309065285.db2.gz IKDBGTDCRLOXBH-UHFFFAOYSA-N 2 1 329.400 3.057 20 0 EGADMP C[C@@H](CC[NH2+]Cc1cccc(CNC(=O)OC(C)(C)C)c1)[NH+](C)C ZINC000895290232 1309272538 /nfs/dbraw/zinc/27/25/38/1309272538.db2.gz DHOYLFOLADVITF-HNNXBMFYSA-N 2 1 335.492 3.141 20 0 EGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000796284584 1309952918 /nfs/dbraw/zinc/95/29/18/1309952918.db2.gz NGSRWZPXDUWMJS-KLAILNCOSA-N 2 1 341.540 3.390 20 0 EGADMP CCC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H](O)c1ccccc1 ZINC000796363416 1309979092 /nfs/dbraw/zinc/97/90/92/1309979092.db2.gz OKEZDIDULQEUFH-SJLPKXTDSA-N 2 1 333.501 3.197 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000896870761 1310060058 /nfs/dbraw/zinc/06/00/58/1310060058.db2.gz MDUCEOWBYAFWEZ-QRQLOZEOSA-N 2 1 343.515 3.029 20 0 EGADMP CCOc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1OC ZINC000798956866 1310462771 /nfs/dbraw/zinc/46/27/71/1310462771.db2.gz FITCZBDJWZRDSE-UHFFFAOYSA-N 2 1 332.488 3.402 20 0 EGADMP CSc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)[NH+](C)C)cc1 ZINC000897863950 1310497616 /nfs/dbraw/zinc/49/76/16/1310497616.db2.gz JESRGUQZJJSXKR-SJORKVTESA-N 2 1 349.544 3.000 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178943 1310499762 /nfs/dbraw/zinc/49/97/62/1310499762.db2.gz SPEJUCUAGYWREN-HNNXBMFYSA-N 2 1 349.906 3.475 20 0 EGADMP CCN(C(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000799179015 1310500698 /nfs/dbraw/zinc/50/06/98/1310500698.db2.gz YDOVHGDTVMXZOI-SFHVURJKSA-N 2 1 349.563 3.364 20 0 EGADMP O=C(OCCC[NH+]1CCCC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000800173848 1310691636 /nfs/dbraw/zinc/69/16/36/1310691636.db2.gz KZTZGVHMVZDQST-GOSISDBHSA-N 2 1 348.462 3.067 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3CCC34CCOCC4)C2)cc1 ZINC000800473610 1310764558 /nfs/dbraw/zinc/76/45/58/1310764558.db2.gz BMRMKXDWZIQXOR-VQTJNVASSA-N 2 1 328.500 3.447 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001018961459 1316987391 /nfs/dbraw/zinc/98/73/91/1316987391.db2.gz FSCDTBZIWUMZDY-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ccc(Cl)cc1 ZINC001018971581 1316991879 /nfs/dbraw/zinc/99/18/79/1316991879.db2.gz IJEPYLOPICLKAG-PBHICJAKSA-N 2 1 349.906 3.076 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(CC)C1C[NH+](CC2CCCC2)C1 ZINC000957113498 1317195259 /nfs/dbraw/zinc/19/52/59/1317195259.db2.gz NDYMWFJLNFIEBX-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CC2=CCCCC2)C1 ZINC000957132007 1317204036 /nfs/dbraw/zinc/20/40/36/1317204036.db2.gz HCAPCOHGKINSFM-OALUTQOASA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001019453028 1317251817 /nfs/dbraw/zinc/25/18/17/1317251817.db2.gz VMWICPFPCNYLFV-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@H+]1CC)C1C[NH+](CCC2CCCCC2)C1 ZINC000957424326 1317348799 /nfs/dbraw/zinc/34/87/99/1317348799.db2.gz NZYPYPPYGBLVRG-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C1C[NH+](CC2CCC(C)CC2)C1 ZINC000957424284 1317349122 /nfs/dbraw/zinc/34/91/22/1317349122.db2.gz MUSCEGFAUCNILE-QLOJAFMTSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CCC(C)(C)C)CC2 ZINC000957517348 1317419966 /nfs/dbraw/zinc/41/99/66/1317419966.db2.gz ONCVSCNVATZTOR-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)CC1 ZINC000957561142 1317458656 /nfs/dbraw/zinc/45/86/56/1317458656.db2.gz GJTAVLCFLTVQAC-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N2CCC3(CC2)CC[NH+](CCC(C)(C)C)CC3)C1 ZINC000957644905 1317516993 /nfs/dbraw/zinc/51/69/93/1317516993.db2.gz NQUDBVJGPGCFGF-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000957690936 1317558349 /nfs/dbraw/zinc/55/83/49/1317558349.db2.gz VLVRDJFNXMHMKI-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC1CC(C)(C)C1)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000957690936 1317558354 /nfs/dbraw/zinc/55/83/54/1317558354.db2.gz VLVRDJFNXMHMKI-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC1CC(C)(C)C1)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000957690936 1317558363 /nfs/dbraw/zinc/55/83/63/1317558363.db2.gz VLVRDJFNXMHMKI-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000902453293 1317580650 /nfs/dbraw/zinc/58/06/50/1317580650.db2.gz OTHUEKOHOQRDSI-RYUDHWBXSA-N 2 1 348.082 3.181 20 0 EGADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466834 1317581632 /nfs/dbraw/zinc/58/16/32/1317581632.db2.gz NJWKXEONUHTDSM-VFGSGVCASA-N 2 1 327.241 3.002 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2CCCCC[NH2+]2)C3)cc1 ZINC000902482762 1317582937 /nfs/dbraw/zinc/58/29/37/1317582937.db2.gz NKAYWTYCEUSEIE-XSDIEEQYSA-N 2 1 327.516 3.304 20 0 EGADMP CC[N@@H+](CC1CC1)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000957728729 1317594785 /nfs/dbraw/zinc/59/47/85/1317594785.db2.gz WHWYYVFBCJXZOM-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC1CC1)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000957728729 1317594787 /nfs/dbraw/zinc/59/47/87/1317594787.db2.gz WHWYYVFBCJXZOM-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC1CC1)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000957728729 1317594792 /nfs/dbraw/zinc/59/47/92/1317594792.db2.gz WHWYYVFBCJXZOM-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000902622128 1317600121 /nfs/dbraw/zinc/60/01/21/1317600121.db2.gz YXFPAKRNMDEKBV-UHFFFAOYSA-N 2 1 336.277 3.293 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001020238743 1317604474 /nfs/dbraw/zinc/60/44/74/1317604474.db2.gz ASWBZCYVQNPBDF-QWFCFKBJSA-N 2 1 345.531 3.131 20 0 EGADMP COC(=O)c1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c(C)c1 ZINC000902755135 1317612265 /nfs/dbraw/zinc/61/22/65/1317612265.db2.gz LHUIEJHIIMRERG-HNNXBMFYSA-N 2 1 330.472 3.307 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1)c1cn(C)nn1 ZINC000902758818 1317613927 /nfs/dbraw/zinc/61/39/27/1317613927.db2.gz IRJRGZOVGUGJHX-INIZCTEOSA-N 2 1 341.503 3.430 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)c1cn(C)nn1 ZINC000902758818 1317613931 /nfs/dbraw/zinc/61/39/31/1317613931.db2.gz IRJRGZOVGUGJHX-INIZCTEOSA-N 2 1 341.503 3.430 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001020288604 1317628192 /nfs/dbraw/zinc/62/81/92/1317628192.db2.gz FFRUWUKKWQSPOZ-MUGJNUQGSA-N 2 1 347.547 3.211 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)c1cccc(Cl)c1 ZINC001020297755 1317633516 /nfs/dbraw/zinc/63/35/16/1317633516.db2.gz YFTGCPXSFSHQQU-XDKFSHSGSA-N 2 1 349.906 3.122 20 0 EGADMP CC[N@H+](CC1=CCCCC1)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000957776830 1317640462 /nfs/dbraw/zinc/64/04/62/1317640462.db2.gz WIPYILKKHOJOFP-UHFFFAOYSA-N 2 1 347.547 3.143 20 0 EGADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(F)c1 ZINC000903056669 1317644124 /nfs/dbraw/zinc/64/41/24/1317644124.db2.gz XMSIUZAYACXQJF-ZNBHLAFESA-N 2 1 331.479 3.176 20 0 EGADMP C[NH+](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc(F)c1 ZINC000903056669 1317644131 /nfs/dbraw/zinc/64/41/31/1317644131.db2.gz XMSIUZAYACXQJF-ZNBHLAFESA-N 2 1 331.479 3.176 20 0 EGADMP C[NH+](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(F)c1 ZINC000903056669 1317644140 /nfs/dbraw/zinc/64/41/40/1317644140.db2.gz XMSIUZAYACXQJF-ZNBHLAFESA-N 2 1 331.479 3.176 20 0 EGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)N1CCc2ccccc21 ZINC000903080957 1317648780 /nfs/dbraw/zinc/64/87/80/1317648780.db2.gz KMOJFUVFHKJWFL-SHFXZJCHSA-N 2 1 325.500 3.185 20 0 EGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)C2 ZINC000903116058 1317656077 /nfs/dbraw/zinc/65/60/77/1317656077.db2.gz FKDRNVYJLYGZLY-IQRYMVJYSA-N 2 1 338.442 3.095 20 0 EGADMP C[C@H]1C[C@H](NCc2cc(N(C)C)cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000903201953 1317673100 /nfs/dbraw/zinc/67/31/00/1317673100.db2.gz RZIPUCXLPVZJCC-PKOBYXMFSA-N 2 1 338.499 3.290 20 0 EGADMP C[C@H](c1ccccc1Cl)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903509217 1317706201 /nfs/dbraw/zinc/70/62/01/1317706201.db2.gz DPUUZZUJAIQNEW-OIISXLGYSA-N 2 1 333.907 3.302 20 0 EGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000808696894 1317717704 /nfs/dbraw/zinc/71/77/04/1317717704.db2.gz YBFDHRTYKGTBGA-MAUKXSAKSA-N 2 1 348.462 3.055 20 0 EGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000808732348 1317725501 /nfs/dbraw/zinc/72/55/01/1317725501.db2.gz JNDLIHVVMNKBHN-JKSUJKDBSA-N 2 1 327.513 3.096 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000808732348 1317725507 /nfs/dbraw/zinc/72/55/07/1317725507.db2.gz JNDLIHVVMNKBHN-JKSUJKDBSA-N 2 1 327.513 3.096 20 0 EGADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC000903899150 1317744798 /nfs/dbraw/zinc/74/47/98/1317744798.db2.gz SVBSPIYFUICJBS-PXNSSMCTSA-N 2 1 339.487 3.157 20 0 EGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903899095 1317745558 /nfs/dbraw/zinc/74/55/58/1317745558.db2.gz RKWHVORILIZNBZ-FPOVZHCZSA-N 2 1 342.531 3.107 20 0 EGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904342696 1317834223 /nfs/dbraw/zinc/83/42/23/1317834223.db2.gz NQSDKSBAAJJBMA-YLJYHZDGSA-N 2 1 326.488 3.199 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001020675914 1317852265 /nfs/dbraw/zinc/85/22/65/1317852265.db2.gz KKWUIJAMYGBVSJ-FHWLQOOXSA-N 2 1 335.536 3.066 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001020675808 1317852655 /nfs/dbraw/zinc/85/26/55/1317852655.db2.gz GKTGHPHPDFVWIM-VBSBHUPXSA-N 2 1 343.515 3.247 20 0 EGADMP COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000809737039 1317884621 /nfs/dbraw/zinc/88/46/21/1317884621.db2.gz BYGHVYKBYUSHBA-UHFFFAOYSA-N 2 1 326.440 3.167 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001020719593 1317886003 /nfs/dbraw/zinc/88/60/03/1317886003.db2.gz MUAOQQUTKOJGDC-WTGUMLROSA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)CCC(N)=[NH+]OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000809995202 1317933672 /nfs/dbraw/zinc/93/36/72/1317933672.db2.gz NRVUOJUWEDNFAA-GOSISDBHSA-N 2 1 333.476 3.212 20 0 EGADMP CC(C)CCC(N)=[NH+]OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000809995203 1317933839 /nfs/dbraw/zinc/93/38/39/1317933839.db2.gz NRVUOJUWEDNFAA-SFHVURJKSA-N 2 1 333.476 3.212 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001020908673 1317993432 /nfs/dbraw/zinc/99/34/32/1317993432.db2.gz HUIDKRDELOGEQM-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001020909837 1317994557 /nfs/dbraw/zinc/99/45/57/1317994557.db2.gz RRMOOANFYWXVBQ-UFYCRDLUSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000907283759 1318207499 /nfs/dbraw/zinc/20/74/99/1318207499.db2.gz HVFWTLQITLEEKJ-IAGOWNOFSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCCCC2)C1 ZINC001021437621 1318251096 /nfs/dbraw/zinc/25/10/96/1318251096.db2.gz FZSKVVQJUFQRFF-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCCCC2)C1 ZINC001021437621 1318251102 /nfs/dbraw/zinc/25/11/02/1318251102.db2.gz FZSKVVQJUFQRFF-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCCC2)C1 ZINC001021437621 1318251111 /nfs/dbraw/zinc/25/11/11/1318251111.db2.gz FZSKVVQJUFQRFF-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+](C)Cc1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)ccc1Cl ZINC000907966585 1318286401 /nfs/dbraw/zinc/28/64/01/1318286401.db2.gz DWBSPNWZDSUXJI-RDJZCZTQSA-N 2 1 335.879 3.357 20 0 EGADMP C[NH+](C)Cc1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)ccc1Cl ZINC000907966585 1318286408 /nfs/dbraw/zinc/28/64/08/1318286408.db2.gz DWBSPNWZDSUXJI-RDJZCZTQSA-N 2 1 335.879 3.357 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC000960022970 1318316945 /nfs/dbraw/zinc/31/69/45/1318316945.db2.gz QPSDVFRSHYOIAV-XLIONFOSSA-N 2 1 343.515 3.203 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000960154556 1318388951 /nfs/dbraw/zinc/38/89/51/1318388951.db2.gz HNPDJVJTIMCPCI-APWZRJJASA-N 2 1 346.519 3.139 20 0 EGADMP CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC000960271880 1318437898 /nfs/dbraw/zinc/43/78/98/1318437898.db2.gz WRGWVBQLAPVXEC-FBBABVLZSA-N 2 1 343.515 3.031 20 0 EGADMP Cn1cc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C(F)F)n1 ZINC000812759772 1318449673 /nfs/dbraw/zinc/44/96/73/1318449673.db2.gz LDLITTSKOZOSSF-LJQANCHMSA-N 2 1 348.441 3.360 20 0 EGADMP Cn1cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C(F)F)n1 ZINC000812759772 1318449680 /nfs/dbraw/zinc/44/96/80/1318449680.db2.gz LDLITTSKOZOSSF-LJQANCHMSA-N 2 1 348.441 3.360 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000813168868 1318509485 /nfs/dbraw/zinc/50/94/85/1318509485.db2.gz CNOHGSQBKGDMAC-GOSISDBHSA-N 2 1 343.515 3.277 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000813168868 1318509494 /nfs/dbraw/zinc/50/94/94/1318509494.db2.gz CNOHGSQBKGDMAC-GOSISDBHSA-N 2 1 343.515 3.277 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H]2C[N@H+](C(C)C)CC[C@@H]21 ZINC001021682918 1318554698 /nfs/dbraw/zinc/55/46/98/1318554698.db2.gz VKMMIUDWXNCTHM-MSOLQXFVSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H]2C[N@@H+](C(C)C)CC[C@@H]21 ZINC001021682918 1318554706 /nfs/dbraw/zinc/55/47/06/1318554706.db2.gz VKMMIUDWXNCTHM-MSOLQXFVSA-N 2 1 346.519 3.118 20 0 EGADMP CC[N@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000910279323 1318593819 /nfs/dbraw/zinc/59/38/19/1318593819.db2.gz JWMNZXLOBJINBM-SFHVURJKSA-N 2 1 343.515 3.229 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001021906732 1318727358 /nfs/dbraw/zinc/72/73/58/1318727358.db2.gz XARNKPGMIKZGGV-KCUHQSDYSA-N 2 1 343.515 3.202 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc[nH+]c(CO)c1 ZINC000858534207 1328790733 /nfs/dbraw/zinc/79/07/33/1328790733.db2.gz XLWGTHIEHCLWIV-LJQANCHMSA-N 2 1 325.456 3.287 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022202100 1318841511 /nfs/dbraw/zinc/84/15/11/1318841511.db2.gz PWLLMQOXLJCWQS-HSALFYBXSA-N 2 1 349.563 3.457 20 0 EGADMP Cn1ncc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c1Cl ZINC000815112946 1318895243 /nfs/dbraw/zinc/89/52/43/1318895243.db2.gz JCNAYKNOBOHPGS-UHFFFAOYSA-N 2 1 332.879 3.349 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022349467 1318902770 /nfs/dbraw/zinc/90/27/70/1318902770.db2.gz AILJBNSEFZGUSD-ZCNNSNEGSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2C[NH+](C)CC2CCCCCC2)C1 ZINC000960859985 1319003842 /nfs/dbraw/zinc/00/38/42/1319003842.db2.gz CXRGMWUZHLIWNG-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCCCCC2)C1 ZINC000960859985 1319003850 /nfs/dbraw/zinc/00/38/50/1319003850.db2.gz CXRGMWUZHLIWNG-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCCCCC2)C1 ZINC000960859985 1319003860 /nfs/dbraw/zinc/00/38/60/1319003860.db2.gz CXRGMWUZHLIWNG-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815560560 1319016156 /nfs/dbraw/zinc/01/61/56/1319016156.db2.gz KHRQAWDTPQTHNQ-KVSKMBFKSA-N 2 1 343.471 3.311 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)c1ccc(Cl)cc1 ZINC001022711683 1319079697 /nfs/dbraw/zinc/07/96/97/1319079697.db2.gz COTSYQCZGCOOQI-NONVJHHQSA-N 2 1 349.906 3.122 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN1C(=O)Cn1ccnc1)CC1CCC(C)(C)CC1 ZINC000961034921 1319158696 /nfs/dbraw/zinc/15/86/96/1319158696.db2.gz ALRCASUABDFYBZ-SFHVURJKSA-N 2 1 346.519 3.022 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)c1ccc2c[nH+]cn2c1 ZINC000816451948 1319160418 /nfs/dbraw/zinc/16/04/18/1319160418.db2.gz UFEKRERXWOOXFM-OXQOHEQNSA-N 2 1 349.434 3.402 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001023274259 1319407373 /nfs/dbraw/zinc/40/73/73/1319407373.db2.gz WPEUNVAZZVLTOU-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001023274259 1319407378 /nfs/dbraw/zinc/40/73/78/1319407378.db2.gz WPEUNVAZZVLTOU-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001023274259 1319407381 /nfs/dbraw/zinc/40/73/81/1319407381.db2.gz WPEUNVAZZVLTOU-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000915097945 1319421661 /nfs/dbraw/zinc/42/16/61/1319421661.db2.gz LZLBITAFIXTJFQ-RBUKOAKNSA-N 2 1 347.547 3.260 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(N2CCOC2=O)cc1 ZINC000817891542 1319453315 /nfs/dbraw/zinc/45/33/15/1319453315.db2.gz MOPMGXRGPDYCHF-FASAQXTFSA-N 2 1 337.423 3.439 20 0 EGADMP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000817895349 1319453913 /nfs/dbraw/zinc/45/39/13/1319453913.db2.gz UBUMLXIXPZQQAS-XUVXKRRUSA-N 2 1 326.440 3.242 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961294085 1319456081 /nfs/dbraw/zinc/45/60/81/1319456081.db2.gz SWKQWIFTNLKVKD-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000817927871 1319463280 /nfs/dbraw/zinc/46/32/80/1319463280.db2.gz RPYYWHIMQROISG-UYHISHBKSA-N 2 1 336.838 3.061 20 0 EGADMP COc1ccc([C@@H](C)NCCC[NH2+]C2CC2)cc1C[NH+]1CCCCC1 ZINC000817983663 1319485404 /nfs/dbraw/zinc/48/54/04/1319485404.db2.gz HQLHNLDBKDYJJA-QGZVFWFLSA-N 2 1 345.531 3.474 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023402916 1319510485 /nfs/dbraw/zinc/51/04/85/1319510485.db2.gz WPERMNGGTWZRPN-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001023402916 1319510496 /nfs/dbraw/zinc/51/04/96/1319510496.db2.gz WPERMNGGTWZRPN-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001023402916 1319510509 /nfs/dbraw/zinc/51/05/09/1319510509.db2.gz WPERMNGGTWZRPN-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000818186558 1319513645 /nfs/dbraw/zinc/51/36/45/1319513645.db2.gz LQMCMTFGLDBZPB-OAHLLOKOSA-N 2 1 338.467 3.327 20 0 EGADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000818186558 1319513653 /nfs/dbraw/zinc/51/36/53/1319513653.db2.gz LQMCMTFGLDBZPB-OAHLLOKOSA-N 2 1 338.467 3.327 20 0 EGADMP CCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413926 1319517348 /nfs/dbraw/zinc/51/73/48/1319517348.db2.gz KYBCLUCJNGLNKZ-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023413926 1319517356 /nfs/dbraw/zinc/51/73/56/1319517356.db2.gz KYBCLUCJNGLNKZ-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023413926 1319517363 /nfs/dbraw/zinc/51/73/63/1319517363.db2.gz KYBCLUCJNGLNKZ-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+](CC=C(C)C)C2)CC1)[NH+](C)C ZINC000961377419 1319535244 /nfs/dbraw/zinc/53/52/44/1319535244.db2.gz IMZGIEBPCRYSSV-VQTJNVASSA-N 2 1 349.563 3.243 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023449933 1319551242 /nfs/dbraw/zinc/55/12/42/1319551242.db2.gz BVBLZJWVOPKYOA-LJQANCHMSA-N 2 1 349.563 3.127 20 0 EGADMP O=C(NC[C@@H]1CCC[N@@H+](CCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001023466861 1319564847 /nfs/dbraw/zinc/56/48/47/1319564847.db2.gz QBRAORIVGFFHPV-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961434300 1319587047 /nfs/dbraw/zinc/58/70/47/1319587047.db2.gz DZWBLHMKPUPODN-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP O[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000818988990 1319606597 /nfs/dbraw/zinc/60/65/97/1319606597.db2.gz XSIWMXUQXNBBTL-VQIMIIECSA-N 2 1 330.497 3.283 20 0 EGADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000818988990 1319606606 /nfs/dbraw/zinc/60/66/06/1319606606.db2.gz XSIWMXUQXNBBTL-VQIMIIECSA-N 2 1 330.497 3.283 20 0 EGADMP O[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1F ZINC000818988285 1319606777 /nfs/dbraw/zinc/60/67/77/1319606777.db2.gz NUJNGXPVYPVMRG-DNVCBOLYSA-N 2 1 348.487 3.422 20 0 EGADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1F ZINC000818988285 1319606786 /nfs/dbraw/zinc/60/67/86/1319606786.db2.gz NUJNGXPVYPVMRG-DNVCBOLYSA-N 2 1 348.487 3.422 20 0 EGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000917010587 1319737295 /nfs/dbraw/zinc/73/72/95/1319737295.db2.gz SSHQCVMOXJBXAH-OAQYLSRUSA-N 2 1 342.458 3.422 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC(C[NH2+]CC3CCCCC3)C2)C1 ZINC000962217322 1319863779 /nfs/dbraw/zinc/86/37/79/1319863779.db2.gz RRCFVYPJXRVUMC-IOJLRTSASA-N 2 1 349.563 3.173 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001023763359 1319910980 /nfs/dbraw/zinc/91/09/80/1319910980.db2.gz KKHWMPNFSRLLOL-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001023763359 1319910984 /nfs/dbraw/zinc/91/09/84/1319910984.db2.gz KKHWMPNFSRLLOL-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CN(C)c1ncc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)c2ccccc21 ZINC000930602321 1328911070 /nfs/dbraw/zinc/91/10/70/1328911070.db2.gz PVXNUAMVOLQNGZ-OAQYLSRUSA-N 2 1 338.499 3.219 20 0 EGADMP CN(C)c1ncc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c2ccccc21 ZINC000930602321 1328911074 /nfs/dbraw/zinc/91/10/74/1328911074.db2.gz PVXNUAMVOLQNGZ-OAQYLSRUSA-N 2 1 338.499 3.219 20 0 EGADMP CN(C)c1ncc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c2ccccc21 ZINC000930602321 1328911078 /nfs/dbraw/zinc/91/10/78/1328911078.db2.gz PVXNUAMVOLQNGZ-OAQYLSRUSA-N 2 1 338.499 3.219 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)c1 ZINC000840721453 1321135050 /nfs/dbraw/zinc/13/50/50/1321135050.db2.gz CLAMIDOSUUBBRT-APWZRJJASA-N 2 1 332.488 3.298 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+][C@H](C)CC[NH3+] ZINC000841050824 1321210169 /nfs/dbraw/zinc/21/01/69/1321210169.db2.gz LFJVSTAYMFSQPD-LLVKDONJSA-N 2 1 341.286 3.374 20 0 EGADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214837 1328947715 /nfs/dbraw/zinc/94/77/15/1328947715.db2.gz PCHZZYMWUVLHFU-YLJYHZDGSA-N 2 1 345.531 3.217 20 0 EGADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214837 1328947718 /nfs/dbraw/zinc/94/77/18/1328947718.db2.gz PCHZZYMWUVLHFU-YLJYHZDGSA-N 2 1 345.531 3.217 20 0 EGADMP C[N@@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@H]1CCC[C@H]1C(C)(C)C ZINC000841690458 1321297923 /nfs/dbraw/zinc/29/79/23/1321297923.db2.gz VUXFRRBUJUCUAJ-UWVAXJGDSA-N 2 1 349.519 3.007 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)[C@H]2CCN(C3CCCCC3)C2=O)cc1 ZINC000859213363 1328946625 /nfs/dbraw/zinc/94/66/25/1328946625.db2.gz MYNGBFZZVGQCNP-FQEVSTJZSA-N 2 1 343.515 3.114 20 0 EGADMP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213231 1328946929 /nfs/dbraw/zinc/94/69/29/1328946929.db2.gz FAOVAVGPKDBXAJ-GNZRSQJKSA-N 2 1 345.531 3.263 20 0 EGADMP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213231 1328946932 /nfs/dbraw/zinc/94/69/32/1328946932.db2.gz FAOVAVGPKDBXAJ-GNZRSQJKSA-N 2 1 345.531 3.263 20 0 EGADMP C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214611 1328948002 /nfs/dbraw/zinc/94/80/02/1328948002.db2.gz PUCBXXUSKFLOCR-INIZCTEOSA-N 2 1 331.504 3.017 20 0 EGADMP C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214611 1328948005 /nfs/dbraw/zinc/94/80/05/1328948005.db2.gz PUCBXXUSKFLOCR-INIZCTEOSA-N 2 1 331.504 3.017 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000843353079 1321504110 /nfs/dbraw/zinc/50/41/10/1321504110.db2.gz ASGMOBFYUHBHDI-RLFYNMQTSA-N 2 1 325.456 3.226 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000843353079 1321504114 /nfs/dbraw/zinc/50/41/14/1321504114.db2.gz ASGMOBFYUHBHDI-RLFYNMQTSA-N 2 1 325.456 3.226 20 0 EGADMP C[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)C1CCC([NH3+])CC1 ZINC000843355452 1321505205 /nfs/dbraw/zinc/50/52/05/1321505205.db2.gz PQWABFRCCFJJNT-UHFFFAOYSA-N 2 1 334.851 3.134 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)c2cc1C(C)C ZINC000843363050 1321506816 /nfs/dbraw/zinc/50/68/16/1321506816.db2.gz YDDYBYCWGKFBPY-GJZGRUSLSA-N 2 1 328.456 3.394 20 0 EGADMP COc1ccc2c(C[N@@H+](CCC[NH3+])CC3CCCC3)cc(=O)oc2c1 ZINC000843385076 1321509232 /nfs/dbraw/zinc/50/92/32/1321509232.db2.gz VKROGDFXHFBSLC-UHFFFAOYSA-N 2 1 344.455 3.143 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000843386793 1321509582 /nfs/dbraw/zinc/50/95/82/1321509582.db2.gz MJHNZPFYNIYHQK-IAGOWNOFSA-N 2 1 340.467 3.313 20 0 EGADMP C[N@@H+](Cc1cc(Br)cc(F)c1F)C1CCC([NH3+])CC1 ZINC000846217151 1321776717 /nfs/dbraw/zinc/77/67/17/1321776717.db2.gz BGXAQKRBUMWDSH-UHFFFAOYSA-N 2 1 333.220 3.429 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)nc(Cl)c2)C1 ZINC000846226871 1321778455 /nfs/dbraw/zinc/77/84/55/1321778455.db2.gz DDNAFAYCHNUCDH-HZSPNIEDSA-N 2 1 344.286 3.249 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)nc(Cl)c2)C1 ZINC000846226871 1321778459 /nfs/dbraw/zinc/77/84/59/1321778459.db2.gz DDNAFAYCHNUCDH-HZSPNIEDSA-N 2 1 344.286 3.249 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000846815025 1321811134 /nfs/dbraw/zinc/81/11/34/1321811134.db2.gz WZSLMQXEFFTAIH-IBGZPJMESA-N 2 1 339.439 3.182 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000846815025 1321811140 /nfs/dbraw/zinc/81/11/40/1321811140.db2.gz WZSLMQXEFFTAIH-IBGZPJMESA-N 2 1 339.439 3.182 20 0 EGADMP Cc1ccc(N(C)[C@H]2CCC[N@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000846848208 1321816275 /nfs/dbraw/zinc/81/62/75/1321816275.db2.gz ADJLJPRSIARKJF-FQEVSTJZSA-N 2 1 326.488 3.262 20 0 EGADMP Cc1ccc(N(C)[C@H]2CCC[N@@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000846848208 1321816278 /nfs/dbraw/zinc/81/62/78/1321816278.db2.gz ADJLJPRSIARKJF-FQEVSTJZSA-N 2 1 326.488 3.262 20 0 EGADMP COC(=O)/C=C/c1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)o1 ZINC000848882193 1322029029 /nfs/dbraw/zinc/02/90/29/1322029029.db2.gz MOWNCVFACGIVCO-BQYQJAHWSA-N 2 1 334.460 3.018 20 0 EGADMP CCNC(=[NH2+])NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000849064130 1322064610 /nfs/dbraw/zinc/06/46/10/1322064610.db2.gz YWXIBCQMODHFNJ-AWEZNQCLSA-N 2 1 330.398 3.222 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921624609 1322365524 /nfs/dbraw/zinc/36/55/24/1322365524.db2.gz KTAYMYAAMIQOMZ-BRWVUGGUSA-N 2 1 339.524 3.001 20 0 EGADMP c1nn(C2CCC2)cc1CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000921671741 1322376638 /nfs/dbraw/zinc/37/66/38/1322376638.db2.gz QPTBMWYOAAXGPS-IBGZPJMESA-N 2 1 338.499 3.262 20 0 EGADMP c1nn(C2CCC2)cc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000921671741 1322376641 /nfs/dbraw/zinc/37/66/41/1322376641.db2.gz QPTBMWYOAAXGPS-IBGZPJMESA-N 2 1 338.499 3.262 20 0 EGADMP c1nn(C2CCC2)cc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000921671741 1322376643 /nfs/dbraw/zinc/37/66/43/1322376643.db2.gz QPTBMWYOAAXGPS-IBGZPJMESA-N 2 1 338.499 3.262 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnn(CC3CCC3)c2)c1 ZINC000921686698 1322378448 /nfs/dbraw/zinc/37/84/48/1322378448.db2.gz OHHMYUDOBLVADE-UHFFFAOYSA-N 2 1 326.488 3.425 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+]CCCO[C@@H]3CCCCO3)CC2)cc1 ZINC000922230358 1322483489 /nfs/dbraw/zinc/48/34/89/1322483489.db2.gz VFGVUXMRKFUGIS-HXUWFJFHSA-N 2 1 332.488 3.174 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+]CCCO[C@@H]3CCCCO3)CC2)cc1 ZINC000922233862 1322484884 /nfs/dbraw/zinc/48/48/84/1322484884.db2.gz RZGISSHCKHLZBC-OAQYLSRUSA-N 2 1 346.515 3.216 20 0 EGADMP Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923311748 1322731120 /nfs/dbraw/zinc/73/11/20/1322731120.db2.gz VRJFNKLFBXEABY-UYTSQGDYSA-N 2 1 336.911 3.440 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504349 1322764420 /nfs/dbraw/zinc/76/44/20/1322764420.db2.gz QSDZVJXQSVWDPB-IIDMSEBBSA-N 2 1 325.456 3.084 20 0 EGADMP C[C@@]1(Cc2cc(Cl)cs2)CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923531390 1322770564 /nfs/dbraw/zinc/77/05/64/1322770564.db2.gz PKGOSINYQCRUSK-HOCLYGCPSA-N 2 1 340.920 3.177 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000931168612 1329065742 /nfs/dbraw/zinc/06/57/42/1329065742.db2.gz MEBCSVKVDQEKEH-SFHVURJKSA-N 2 1 347.528 3.047 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024024399 1323082305 /nfs/dbraw/zinc/08/23/05/1323082305.db2.gz ZVOYNLRTLVYKNM-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cnnn1C ZINC000924680837 1323109899 /nfs/dbraw/zinc/10/98/99/1323109899.db2.gz SYZITROGIFRTAP-JKSUJKDBSA-N 2 1 327.476 3.040 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cnnn1C ZINC000924680837 1323109903 /nfs/dbraw/zinc/10/99/03/1323109903.db2.gz SYZITROGIFRTAP-JKSUJKDBSA-N 2 1 327.476 3.040 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000924854088 1323188518 /nfs/dbraw/zinc/18/85/18/1323188518.db2.gz RRZVZKYGODEKQN-AEFFLSMTSA-N 2 1 325.456 3.350 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCC([NH2+]CC2CCCCCC2)CC1 ZINC000963158236 1323220240 /nfs/dbraw/zinc/22/02/40/1323220240.db2.gz VKBYXZRUWXVYDX-SOAGJPPSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925058301 1323259973 /nfs/dbraw/zinc/25/99/73/1323259973.db2.gz XSNCGOUNVWMNJP-DYESRHJHSA-N 3 1 345.531 3.042 20 0 EGADMP CCOCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000853093748 1323278191 /nfs/dbraw/zinc/27/81/91/1323278191.db2.gz QPLFSZBSLKJMQO-LJQANCHMSA-N 2 1 332.488 3.271 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](O)c1ccccn1 ZINC000853100192 1323281557 /nfs/dbraw/zinc/28/15/57/1323281557.db2.gz ZJKKELLLFRLUKF-UWJYYQICSA-N 2 1 339.483 3.279 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2CCCCC2)CC[N@H+]1C ZINC001024448813 1323407113 /nfs/dbraw/zinc/40/71/13/1323407113.db2.gz ZDEYUXBETOVKEZ-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CCCCC2)CC[NH+]1C ZINC001024448813 1323407117 /nfs/dbraw/zinc/40/71/17/1323407117.db2.gz ZDEYUXBETOVKEZ-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC2CCCCC2)CC[NH+]1C ZINC001024448813 1323407120 /nfs/dbraw/zinc/40/71/20/1323407120.db2.gz ZDEYUXBETOVKEZ-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC2CCCC2)C1 ZINC001024478936 1323432033 /nfs/dbraw/zinc/43/20/33/1323432033.db2.gz VXDHUPJCTUUQNX-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC2CCCC2)C1 ZINC001024478936 1323432041 /nfs/dbraw/zinc/43/20/41/1323432041.db2.gz VXDHUPJCTUUQNX-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CC2CCCC2)C1 ZINC001024478936 1323432056 /nfs/dbraw/zinc/43/20/56/1323432056.db2.gz VXDHUPJCTUUQNX-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024501627 1323448981 /nfs/dbraw/zinc/44/89/81/1323448981.db2.gz GGPNGQWQGOYCHR-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024571342 1323508861 /nfs/dbraw/zinc/50/88/61/1323508861.db2.gz YGYVBEHUZKIKQX-IBGZPJMESA-N 2 1 345.531 3.031 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCC2CCCC2)CC[N@H+]1C ZINC001024620028 1323546998 /nfs/dbraw/zinc/54/69/98/1323546998.db2.gz LFMQUMOIQZJFLR-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCC2CCCC2)CC[NH+]1C ZINC001024620028 1323547005 /nfs/dbraw/zinc/54/70/05/1323547005.db2.gz LFMQUMOIQZJFLR-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCC2CCCC2)CC[NH+]1C ZINC001024620028 1323547011 /nfs/dbraw/zinc/54/70/11/1323547011.db2.gz LFMQUMOIQZJFLR-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1 ZINC001024692578 1323609629 /nfs/dbraw/zinc/60/96/29/1323609629.db2.gz PBRHEAKGKNNWIV-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024692578 1323609633 /nfs/dbraw/zinc/60/96/33/1323609633.db2.gz PBRHEAKGKNNWIV-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024692578 1323609640 /nfs/dbraw/zinc/60/96/40/1323609640.db2.gz PBRHEAKGKNNWIV-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC2CCC2)cc1 ZINC001024712318 1323618774 /nfs/dbraw/zinc/61/87/74/1323618774.db2.gz UNAYMFPYXRMLFE-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1 ZINC001024813337 1323716386 /nfs/dbraw/zinc/71/63/86/1323716386.db2.gz ZLZLTKPOMVLAGJ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024813337 1323716392 /nfs/dbraw/zinc/71/63/92/1323716392.db2.gz ZLZLTKPOMVLAGJ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024813337 1323716399 /nfs/dbraw/zinc/71/63/99/1323716399.db2.gz ZLZLTKPOMVLAGJ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024814148 1323718275 /nfs/dbraw/zinc/71/82/75/1323718275.db2.gz ORKLSYDZKXEAJK-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001024814148 1323718278 /nfs/dbraw/zinc/71/82/78/1323718278.db2.gz ORKLSYDZKXEAJK-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001024814148 1323718284 /nfs/dbraw/zinc/71/82/84/1323718284.db2.gz ORKLSYDZKXEAJK-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1)C1CCC1 ZINC001024983793 1323813398 /nfs/dbraw/zinc/81/33/98/1323813398.db2.gz ZKKHWNDRRFUYHB-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001024989304 1323814431 /nfs/dbraw/zinc/81/44/31/1323814431.db2.gz GCGAIVKWBNVJIQ-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001024989645 1323816072 /nfs/dbraw/zinc/81/60/72/1323816072.db2.gz VGUZLPWCXZAPGB-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001025246409 1324046568 /nfs/dbraw/zinc/04/65/68/1324046568.db2.gz WUVQMSDVPGZJCW-RTBURBONSA-N 2 1 340.471 3.122 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025247421 1324047775 /nfs/dbraw/zinc/04/77/75/1324047775.db2.gz KUMQADQOASHNEK-RBUKOAKNSA-N 2 1 347.547 3.116 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+]1CCC(C)C ZINC001025251752 1324055513 /nfs/dbraw/zinc/05/55/13/1324055513.db2.gz KJJDAUJXFXQNFL-RBUKOAKNSA-N 2 1 346.519 3.083 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC(C)C ZINC001025251752 1324055519 /nfs/dbraw/zinc/05/55/19/1324055519.db2.gz KJJDAUJXFXQNFL-RBUKOAKNSA-N 2 1 346.519 3.083 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025261581 1324072595 /nfs/dbraw/zinc/07/25/95/1324072595.db2.gz XAHVXDABASQJSI-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450894 1324293540 /nfs/dbraw/zinc/29/35/40/1324293540.db2.gz CDYDTBQFXJKRTF-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025474033 1324318958 /nfs/dbraw/zinc/31/89/58/1324318958.db2.gz IHWKIUUAEWXNPU-WMZOPIPTSA-N 2 1 340.471 3.131 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586078 1324427080 /nfs/dbraw/zinc/42/70/80/1324427080.db2.gz VUGRMILCSFXKNZ-AZUAARDMSA-N 2 1 349.563 3.290 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001026515974 1324862171 /nfs/dbraw/zinc/86/21/71/1324862171.db2.gz PRLGVTGJJPBOCQ-ACBHZAAOSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001026561406 1324896415 /nfs/dbraw/zinc/89/64/15/1324896415.db2.gz ZOBSCQGKUDYGLI-KKXNLOMOSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001026560843 1324896484 /nfs/dbraw/zinc/89/64/84/1324896484.db2.gz GRNSNJVIMWKCIP-KKXNLOMOSA-N 2 1 349.563 3.458 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001026610850 1324932255 /nfs/dbraw/zinc/93/22/55/1324932255.db2.gz VQMDLMARGAMQML-SOAGJPPSSA-N 2 1 347.547 3.378 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026887865 1325062891 /nfs/dbraw/zinc/06/28/91/1325062891.db2.gz WTQVPJYDOFJYDN-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP C([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853242013 1325070001 /nfs/dbraw/zinc/07/00/01/1325070001.db2.gz ZADQMXDKOZPNMT-NCOADZHNSA-N 2 1 326.575 3.078 20 0 EGADMP CCOCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CCCC1 ZINC000925273193 1325110231 /nfs/dbraw/zinc/11/02/31/1325110231.db2.gz UBWBXEIIYVKEBE-YQQQUEKLSA-N 2 1 338.536 3.205 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CC2CCC2)CC1 ZINC000963386342 1325186464 /nfs/dbraw/zinc/18/64/64/1325186464.db2.gz VGUJMNPESNWORJ-CTWPCTMYSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001027062929 1325199479 /nfs/dbraw/zinc/19/94/79/1325199479.db2.gz FGWQUWAEHNGLQB-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001027104209 1325229184 /nfs/dbraw/zinc/22/91/84/1325229184.db2.gz NCUJAHFUQNZROU-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C23CCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000925631247 1325239943 /nfs/dbraw/zinc/23/99/43/1325239943.db2.gz GNRDSJPDGHNXPO-FHWLQOOXSA-N 2 1 349.469 3.363 20 0 EGADMP CC(C)[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C23CCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000925631247 1325239948 /nfs/dbraw/zinc/23/99/48/1325239948.db2.gz GNRDSJPDGHNXPO-FHWLQOOXSA-N 2 1 349.469 3.363 20 0 EGADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925711860 1325267696 /nfs/dbraw/zinc/26/76/96/1325267696.db2.gz DYHPFPHHAYJJGK-KSZLIROESA-N 2 1 330.472 3.277 20 0 EGADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCC([NH2+]CC2CCCCCC2)CC1 ZINC000964377132 1325496826 /nfs/dbraw/zinc/49/68/26/1325496826.db2.gz ARVVQSWBPAIUDM-HDYDNRTBSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000926287431 1325504804 /nfs/dbraw/zinc/50/48/04/1325504804.db2.gz NZTWSTUGJZDIJV-IAGOWNOFSA-N 2 1 343.471 3.493 20 0 EGADMP C[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000926287431 1325504809 /nfs/dbraw/zinc/50/48/09/1325504809.db2.gz NZTWSTUGJZDIJV-IAGOWNOFSA-N 2 1 343.471 3.493 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000856783711 1325524893 /nfs/dbraw/zinc/52/48/93/1325524893.db2.gz DXBNVUNCANDNCT-OAQYLSRUSA-N 2 1 339.483 3.482 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000856783711 1325524903 /nfs/dbraw/zinc/52/49/03/1325524903.db2.gz DXBNVUNCANDNCT-OAQYLSRUSA-N 2 1 339.483 3.482 20 0 EGADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857090309 1325571797 /nfs/dbraw/zinc/57/17/97/1325571797.db2.gz PTYWMINMIAVGKJ-VQTJNVASSA-N 2 1 343.515 3.098 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2ccsc2)C1 ZINC001027409591 1327637749 /nfs/dbraw/zinc/63/77/49/1327637749.db2.gz LJMWLUBVXFFDBG-ROUUACIJSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccsc2)C1 ZINC001027409591 1327637755 /nfs/dbraw/zinc/63/77/55/1327637755.db2.gz LJMWLUBVXFFDBG-ROUUACIJSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccsc2)C1 ZINC001027409591 1327637763 /nfs/dbraw/zinc/63/77/63/1327637763.db2.gz LJMWLUBVXFFDBG-ROUUACIJSA-N 2 1 349.544 3.044 20 0 EGADMP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000926708101 1327677081 /nfs/dbraw/zinc/67/70/81/1327677081.db2.gz ZRXHRLYPABUEJL-CMKODMSKSA-N 2 1 330.520 3.128 20 0 EGADMP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)cn1 ZINC000926708101 1327677091 /nfs/dbraw/zinc/67/70/91/1327677091.db2.gz ZRXHRLYPABUEJL-CMKODMSKSA-N 2 1 330.520 3.128 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001027440563 1327678080 /nfs/dbraw/zinc/67/80/80/1327678080.db2.gz IOMVGJNQKUBRSZ-PKOBYXMFSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001027442436 1327682917 /nfs/dbraw/zinc/68/29/17/1327682917.db2.gz UMBQDPIZHRNJLQ-FXAWDEMLSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001027442436 1327682927 /nfs/dbraw/zinc/68/29/27/1327682927.db2.gz UMBQDPIZHRNJLQ-FXAWDEMLSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001027442436 1327682938 /nfs/dbraw/zinc/68/29/38/1327682938.db2.gz UMBQDPIZHRNJLQ-FXAWDEMLSA-N 2 1 343.515 3.155 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2=CCCCC2)C1)C1CC1 ZINC001027445084 1327684779 /nfs/dbraw/zinc/68/47/79/1327684779.db2.gz ZMUGKUAVKBIPMQ-VQTJNVASSA-N 2 1 347.547 3.140 20 0 EGADMP C[N@@H+](CC1=CCCCC1)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027449629 1327689667 /nfs/dbraw/zinc/68/96/67/1327689667.db2.gz DZBSSWUGRGCYKG-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001027449629 1327689673 /nfs/dbraw/zinc/68/96/73/1327689673.db2.gz DZBSSWUGRGCYKG-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001027449629 1327689683 /nfs/dbraw/zinc/68/96/83/1327689683.db2.gz DZBSSWUGRGCYKG-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP C[N@@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027449413 1327690289 /nfs/dbraw/zinc/69/02/89/1327690289.db2.gz ZYVQMNVZACDCLF-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCC1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001027449413 1327690294 /nfs/dbraw/zinc/69/02/94/1327690294.db2.gz ZYVQMNVZACDCLF-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCC1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001027449413 1327690302 /nfs/dbraw/zinc/69/03/02/1327690302.db2.gz ZYVQMNVZACDCLF-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1cccc(OCC[NH+](C)C)c1 ZINC000927113641 1327871864 /nfs/dbraw/zinc/87/18/64/1327871864.db2.gz LSTNJVAMOLHCHI-HNNXBMFYSA-N 2 1 342.487 3.089 20 0 EGADMP C[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000927112328 1327872704 /nfs/dbraw/zinc/87/27/04/1327872704.db2.gz MIIJRRZMVLKSPN-OAHLLOKOSA-N 2 1 342.487 3.089 20 0 EGADMP Cc1ccccc1C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001027562878 1327882601 /nfs/dbraw/zinc/88/26/01/1327882601.db2.gz XVVMBMJCOJUHDO-VQTJNVASSA-N 2 1 345.531 3.004 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH+](C)CCC2=CCCCC2)C1 ZINC001027575939 1327912365 /nfs/dbraw/zinc/91/23/65/1327912365.db2.gz GSLZBSLTQHIGGH-QUCCMNQESA-N 2 1 347.547 3.284 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC001027575939 1327912371 /nfs/dbraw/zinc/91/23/71/1327912371.db2.gz GSLZBSLTQHIGGH-QUCCMNQESA-N 2 1 347.547 3.284 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC001027575939 1327912376 /nfs/dbraw/zinc/91/23/76/1327912376.db2.gz GSLZBSLTQHIGGH-QUCCMNQESA-N 2 1 347.547 3.284 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577087 1327914028 /nfs/dbraw/zinc/91/40/28/1327914028.db2.gz DDPBZKCBSBLITB-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001027577087 1327914038 /nfs/dbraw/zinc/91/40/38/1327914038.db2.gz DDPBZKCBSBLITB-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001027577087 1327914044 /nfs/dbraw/zinc/91/40/44/1327914044.db2.gz DDPBZKCBSBLITB-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(C)C)C2)o1 ZINC001027700221 1328115781 /nfs/dbraw/zinc/11/57/81/1328115781.db2.gz SCNWVILXQFHLFF-QGZVFWFLSA-N 2 1 349.519 3.314 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCCC1 ZINC001027795577 1328232422 /nfs/dbraw/zinc/23/24/22/1328232422.db2.gz XPTAWFKDTMVMNU-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCCCC1 ZINC001027795577 1328232429 /nfs/dbraw/zinc/23/24/29/1328232429.db2.gz XPTAWFKDTMVMNU-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCCCC1 ZINC001027795577 1328232435 /nfs/dbraw/zinc/23/24/35/1328232435.db2.gz XPTAWFKDTMVMNU-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1csc(C)c1 ZINC001027919642 1328397801 /nfs/dbraw/zinc/39/78/01/1328397801.db2.gz ZDQFDQOPQSDULD-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1csc(C)c1 ZINC001027919642 1328397810 /nfs/dbraw/zinc/39/78/10/1328397810.db2.gz ZDQFDQOPQSDULD-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1csc(C)c1 ZINC001027919642 1328397814 /nfs/dbraw/zinc/39/78/14/1328397814.db2.gz ZDQFDQOPQSDULD-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP C[NH+](C)CCCC1CC[NH+](CN2C[C@@H](c3ccccc3)OC2=O)CC1 ZINC000863263653 1329541093 /nfs/dbraw/zinc/54/10/93/1329541093.db2.gz ULPFFMQRWRBUKZ-IBGZPJMESA-N 2 1 345.487 3.191 20 0 EGADMP CS[C@@H]1CN(c2cc[nH+]cc2C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000865685301 1329729330 /nfs/dbraw/zinc/72/93/30/1329729330.db2.gz FVIJNPMRGJHEBP-UONOGXRCSA-N 2 1 331.407 3.116 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C[C@H]3C3CCOCC3)CC2)cc1 ZINC000865785726 1329738273 /nfs/dbraw/zinc/73/82/73/1329738273.db2.gz ZMRVAQMVLGJNEB-FPOVZHCZSA-N 2 1 328.500 3.303 20 0 EGADMP CN(C)c1cc(NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)cc[nH+]1 ZINC000932172680 1329790787 /nfs/dbraw/zinc/79/07/87/1329790787.db2.gz OWYNFNLCZNSVGF-UHFFFAOYSA-N 2 1 345.491 3.066 20 0 EGADMP C[C@H]1C[C@@H](N(C)C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1C ZINC000934072474 1329944025 /nfs/dbraw/zinc/94/40/25/1329944025.db2.gz GOCFIAQFQCYIAF-RDJZCZTQSA-N 2 1 345.491 3.018 20 0 EGADMP C[C@H]1C[C@@H](N(C)C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1C ZINC000934072474 1329944026 /nfs/dbraw/zinc/94/40/26/1329944026.db2.gz GOCFIAQFQCYIAF-RDJZCZTQSA-N 2 1 345.491 3.018 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000935050924 1330025581 /nfs/dbraw/zinc/02/55/81/1330025581.db2.gz KXFLWYIJGNIYGH-CTWPCTMYSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)CC1(C)OCCO1 ZINC000866424027 1330109818 /nfs/dbraw/zinc/10/98/18/1330109818.db2.gz FBFKRGJZDSLAHK-NSHGMRRFSA-N 2 1 346.515 3.276 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)CC1(C)OCCO1 ZINC000866424027 1330109819 /nfs/dbraw/zinc/10/98/19/1330109819.db2.gz FBFKRGJZDSLAHK-NSHGMRRFSA-N 2 1 346.515 3.276 20 0 EGADMP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000866660101 1330138882 /nfs/dbraw/zinc/13/88/82/1330138882.db2.gz FNIVMDRNUGLNDA-CQSZACIVSA-N 2 1 335.879 3.051 20 0 EGADMP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000866660101 1330138885 /nfs/dbraw/zinc/13/88/85/1330138885.db2.gz FNIVMDRNUGLNDA-CQSZACIVSA-N 2 1 335.879 3.051 20 0 EGADMP CC1(C)CC[NH2+]CC[N@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000866699369 1330141971 /nfs/dbraw/zinc/14/19/71/1330141971.db2.gz MDSXTJGWTLNKAB-UHFFFAOYSA-N 2 1 343.393 3.108 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942303037 1331898633 /nfs/dbraw/zinc/89/86/33/1331898633.db2.gz JYOKLIZEGVZFIK-KXBFYZLASA-N 2 1 342.487 3.211 20 0 EGADMP C[C@H]1C[N@@H+](CC2CCCCCC2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597018 1331995725 /nfs/dbraw/zinc/99/57/25/1331995725.db2.gz HXSAMRBSQNAGGT-FXAWDEMLSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779293 1332897744 /nfs/dbraw/zinc/89/77/44/1332897744.db2.gz MUAGKUOPZBRXDB-YSIASYRMSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779293 1332897747 /nfs/dbraw/zinc/89/77/47/1332897747.db2.gz MUAGKUOPZBRXDB-YSIASYRMSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779293 1332897751 /nfs/dbraw/zinc/89/77/51/1332897751.db2.gz MUAGKUOPZBRXDB-YSIASYRMSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCC)C[C@H]2CC1 ZINC000946856122 1332917394 /nfs/dbraw/zinc/91/73/94/1332917394.db2.gz BDSVWAGVTOALJY-ZCNNSNEGSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC)C[C@H]2CC1 ZINC000946856122 1332917397 /nfs/dbraw/zinc/91/73/97/1332917397.db2.gz BDSVWAGVTOALJY-ZCNNSNEGSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCC)C[C@H]2CC1 ZINC000946856122 1332917398 /nfs/dbraw/zinc/91/73/98/1332917398.db2.gz BDSVWAGVTOALJY-ZCNNSNEGSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1CCC(C)(C)C ZINC000947438091 1333127515 /nfs/dbraw/zinc/12/75/15/1333127515.db2.gz UKXGPGFLLNFMCY-MSOLQXFVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1CC1CCCC1 ZINC000947437808 1333127711 /nfs/dbraw/zinc/12/77/11/1333127711.db2.gz SWZYYCYPVYTQAX-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947473611 1333141954 /nfs/dbraw/zinc/14/19/54/1333141954.db2.gz NWIBKZXTAKEVFV-HOCLYGCPSA-N 2 1 328.460 3.026 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947615139 1333193261 /nfs/dbraw/zinc/19/32/61/1333193261.db2.gz FLLDDIRFUZGCPN-AEFFLSMTSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1CCCC1 ZINC000947615997 1333193748 /nfs/dbraw/zinc/19/37/48/1333193748.db2.gz NRRCIFJVCCDPKI-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000947615365 1333194060 /nfs/dbraw/zinc/19/40/60/1333194060.db2.gz ICWRHJSATVJRGL-MJGOQNOKSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@H+]1CC1CCCC1 ZINC000947653593 1333209917 /nfs/dbraw/zinc/20/99/17/1333209917.db2.gz PSCKDXQWFCDCAF-QAPCUYQASA-N 2 1 347.503 3.114 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)[C@H](C)C1 ZINC000947771305 1333256180 /nfs/dbraw/zinc/25/61/80/1333256180.db2.gz JMTKDHYXIGRZIM-IAGOWNOFSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)[C@H](C)C1 ZINC000947771305 1333256182 /nfs/dbraw/zinc/25/61/82/1333256182.db2.gz JMTKDHYXIGRZIM-IAGOWNOFSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771331 1333256312 /nfs/dbraw/zinc/25/63/12/1333256312.db2.gz JRRFKTSFWFQYCQ-SJORKVTESA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771331 1333256315 /nfs/dbraw/zinc/25/63/15/1333256315.db2.gz JRRFKTSFWFQYCQ-SJORKVTESA-N 2 1 334.508 3.022 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947940872 1333313676 /nfs/dbraw/zinc/31/36/76/1333313676.db2.gz UNFINHPXWLTFIZ-NVXWUHKLSA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947940872 1333313680 /nfs/dbraw/zinc/31/36/80/1333313680.db2.gz UNFINHPXWLTFIZ-NVXWUHKLSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC1CCC2(CC2)CC1 ZINC000948040858 1333349801 /nfs/dbraw/zinc/34/98/01/1333349801.db2.gz UXQRCRUJDNTIHK-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC1CCCCCC1 ZINC000948040832 1333350092 /nfs/dbraw/zinc/35/00/92/1333350092.db2.gz UKLGVSCYBMQLTG-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948055448 1333357134 /nfs/dbraw/zinc/35/71/34/1333357134.db2.gz CEJZLTAGJCYIQJ-XLIONFOSSA-N 2 1 345.531 3.377 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948057506 1333358767 /nfs/dbraw/zinc/35/87/67/1333358767.db2.gz WRDAGSIGBNAIIZ-QFBILLFUSA-N 2 1 331.504 3.131 20 0 EGADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC000948245402 1333439613 /nfs/dbraw/zinc/43/96/13/1333439613.db2.gz QAWUHEVRSBKFLL-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](CCC2=CCCCC2)CC1 ZINC000948245402 1333439615 /nfs/dbraw/zinc/43/96/15/1333439615.db2.gz QAWUHEVRSBKFLL-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](CCC2=CCCCC2)CC1 ZINC000948245402 1333439618 /nfs/dbraw/zinc/43/96/18/1333439618.db2.gz QAWUHEVRSBKFLL-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000948373977 1333500153 /nfs/dbraw/zinc/50/01/53/1333500153.db2.gz PYHFIBKBLPKNDO-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000948376887 1333502553 /nfs/dbraw/zinc/50/25/53/1333502553.db2.gz CWSQBUIOBKOUOL-RBUKOAKNSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000948376887 1333502554 /nfs/dbraw/zinc/50/25/54/1333502554.db2.gz CWSQBUIOBKOUOL-RBUKOAKNSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000948376887 1333502555 /nfs/dbraw/zinc/50/25/55/1333502555.db2.gz CWSQBUIOBKOUOL-RBUKOAKNSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CC3CCCC3)CC2)CC[N@H+]1C ZINC000948389823 1333505564 /nfs/dbraw/zinc/50/55/64/1333505564.db2.gz YMBBMQCUSSFPJH-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[N@H+](CC3CCCC3)CC2)CC[NH+]1C ZINC000948389823 1333505570 /nfs/dbraw/zinc/50/55/70/1333505570.db2.gz YMBBMQCUSSFPJH-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[N@@H+](CC3CCCC3)CC2)CC[NH+]1C ZINC000948389823 1333505576 /nfs/dbraw/zinc/50/55/76/1333505576.db2.gz YMBBMQCUSSFPJH-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948593429 1333588407 /nfs/dbraw/zinc/58/84/07/1333588407.db2.gz DUMNXSJKBSGHOI-NVXWUHKLSA-N 2 1 346.450 3.009 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC000948637688 1333606686 /nfs/dbraw/zinc/60/66/86/1333606686.db2.gz MTOABXTWDZBFEL-UXHICEINSA-N 2 1 343.515 3.156 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC000948637688 1333606689 /nfs/dbraw/zinc/60/66/89/1333606689.db2.gz MTOABXTWDZBFEL-UXHICEINSA-N 2 1 343.515 3.156 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000948767706 1333670514 /nfs/dbraw/zinc/67/05/14/1333670514.db2.gz ZOVJJMXNDGLJCW-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000948767706 1333670518 /nfs/dbraw/zinc/67/05/18/1333670518.db2.gz ZOVJJMXNDGLJCW-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000948767706 1333670521 /nfs/dbraw/zinc/67/05/21/1333670521.db2.gz ZOVJJMXNDGLJCW-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC000949801114 1333926852 /nfs/dbraw/zinc/92/68/52/1333926852.db2.gz NGZQUGSAZSJASF-HXUWFJFHSA-N 2 1 349.563 3.223 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000949856192 1333945186 /nfs/dbraw/zinc/94/51/86/1333945186.db2.gz JIWZKELXMWACAL-YSIASYRMSA-N 2 1 343.515 3.012 20 0 EGADMP CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1C[NH+](CCCC2CCC2)C1 ZINC000950614188 1334097533 /nfs/dbraw/zinc/09/75/33/1334097533.db2.gz ALUFCGWJAHVAJI-ICSRJNTNSA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1C[NH+](CCCC2CCC2)C1 ZINC000950614188 1334097534 /nfs/dbraw/zinc/09/75/34/1334097534.db2.gz ALUFCGWJAHVAJI-ICSRJNTNSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH+](CCC2CCCC2)CC1 ZINC000951183528 1334200743 /nfs/dbraw/zinc/20/07/43/1334200743.db2.gz WLFMOPSXMIXYRN-UHFFFAOYSA-N 2 1 346.519 3.121 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1C[NH+](CCC(C)(C)C)C1 ZINC000952406470 1334450665 /nfs/dbraw/zinc/45/06/65/1334450665.db2.gz AZCAHFVPFNQBEC-SFHVURJKSA-N 2 1 337.552 3.218 20 0 EGADMP CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1C[NH+](CCCC2CCC2)C1 ZINC000952444198 1334460579 /nfs/dbraw/zinc/46/05/79/1334460579.db2.gz JMKADVDXAFVNKP-UYAOXDASSA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1C[NH+](CCCC2CCC2)C1 ZINC000952444198 1334460581 /nfs/dbraw/zinc/46/05/81/1334460581.db2.gz JMKADVDXAFVNKP-UYAOXDASSA-N 2 1 347.547 3.116 20 0 EGADMP Cc1c(C(=O)N[C@H]2C[N@@H+](CCC(C)C)CC[C@H]2C)ccc2c[nH+]cn21 ZINC000967086926 1335658937 /nfs/dbraw/zinc/65/89/37/1335658937.db2.gz MOYZQFNYUOKPFC-BEFAXECRSA-N 2 1 342.487 3.129 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000967708519 1335805351 /nfs/dbraw/zinc/80/53/51/1335805351.db2.gz SRDIHFRHICXRPS-AEFFLSMTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CC[N@@H+](CCCC2CCC2)C[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968378683 1335910065 /nfs/dbraw/zinc/91/00/65/1335910065.db2.gz ROYCOYDMAOEDOX-XLIONFOSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[N@H+](CC2CCCC2)CC[C@H]1C ZINC000968379154 1335910911 /nfs/dbraw/zinc/91/09/11/1335910911.db2.gz VTJLXTOEMOKSCH-AEFFLSMTSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[N@@H+](CC2CCCC2)CC[C@H]1C ZINC000968379154 1335910917 /nfs/dbraw/zinc/91/09/17/1335910917.db2.gz VTJLXTOEMOKSCH-AEFFLSMTSA-N 2 1 346.519 3.023 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2C[N@@H+](CC3CCCCC3)CC[C@H]2C)CC1 ZINC000968459555 1335931432 /nfs/dbraw/zinc/93/14/32/1335931432.db2.gz MQTKQPKMOMVDKQ-QUCCMNQESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968683007 1336009584 /nfs/dbraw/zinc/00/95/84/1336009584.db2.gz XGZDBBWMYIQOGA-FXAWDEMLSA-N 2 1 343.515 3.155 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC000968921921 1336090109 /nfs/dbraw/zinc/09/01/09/1336090109.db2.gz MYMKRELIYPXXRE-QZTJIDSGSA-N 2 1 343.515 3.039 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936454 1336095465 /nfs/dbraw/zinc/09/54/65/1336095465.db2.gz IGKQMYLEWTXZEV-WMZOPIPTSA-N 2 1 342.487 3.355 20 0 EGADMP O=C(NC[C@H]1CCCCC[N@H+]1CCC1CC1)c1ccn2c[nH+]cc2c1 ZINC000968936124 1336095978 /nfs/dbraw/zinc/09/59/78/1336095978.db2.gz BITDJWQIPZGCOH-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP O=C(NC[C@H]1CCCCC[N@H+]1CC1CCCC1)[C@@]12CC[NH+](C1)CCC2 ZINC000969129559 1336153866 /nfs/dbraw/zinc/15/38/66/1336153866.db2.gz BJJBLMZKLYOFAO-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(NC[C@H]1CCCCC[NH+]1CC1CCCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC000969129559 1336153868 /nfs/dbraw/zinc/15/38/68/1336153868.db2.gz BJJBLMZKLYOFAO-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(NC[C@H]1CCCCC[NH+]1CC1CCCC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC000969129559 1336153870 /nfs/dbraw/zinc/15/38/70/1336153870.db2.gz BJJBLMZKLYOFAO-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CCCC2)C1 ZINC000970026879 1336272823 /nfs/dbraw/zinc/27/28/23/1336272823.db2.gz JHAOPLXCAZJPBT-XLIONFOSSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001005478774 1336358306 /nfs/dbraw/zinc/35/83/06/1336358306.db2.gz YWRTYCZVHLPLJP-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005503249 1336363312 /nfs/dbraw/zinc/36/33/12/1336363312.db2.gz JKDWVNMGWDMEGC-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001005592458 1336376959 /nfs/dbraw/zinc/37/69/59/1336376959.db2.gz MVCNAGKKWZYLFD-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC1CCC(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001005590667 1336377086 /nfs/dbraw/zinc/37/70/86/1336377086.db2.gz BJZSJBIATISNEM-AFMYVXGZSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C2CC[NH+](C[C@H](C)CC)CC2)C1 ZINC001005869560 1336413443 /nfs/dbraw/zinc/41/34/43/1336413443.db2.gz ADVSUSNHJATVFV-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001005992025 1336435587 /nfs/dbraw/zinc/43/55/87/1336435587.db2.gz RKCHWJUCQKZESY-GOSISDBHSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001006001423 1336435999 /nfs/dbraw/zinc/43/59/99/1336435999.db2.gz NPMAHUYCVJZIQJ-PXNSSMCTSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCC2CCCCCC2)CC1 ZINC001006397969 1336499205 /nfs/dbraw/zinc/49/92/05/1336499205.db2.gz BZLDXYWAJGICIP-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007458163 1336650973 /nfs/dbraw/zinc/65/09/73/1336650973.db2.gz VLPXXXXTEAUBTB-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001007458163 1336650975 /nfs/dbraw/zinc/65/09/75/1336650975.db2.gz VLPXXXXTEAUBTB-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001007500818 1336658938 /nfs/dbraw/zinc/65/89/38/1336658938.db2.gz VUDAEOGCIAHUHG-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001007500818 1336658940 /nfs/dbraw/zinc/65/89/40/1336658940.db2.gz VUDAEOGCIAHUHG-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001007500818 1336658942 /nfs/dbraw/zinc/65/89/42/1336658942.db2.gz VUDAEOGCIAHUHG-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001007646793 1336683101 /nfs/dbraw/zinc/68/31/01/1336683101.db2.gz QGWVOETYRNLKCB-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001007646793 1336683103 /nfs/dbraw/zinc/68/31/03/1336683103.db2.gz QGWVOETYRNLKCB-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001007646793 1336683105 /nfs/dbraw/zinc/68/31/05/1336683105.db2.gz QGWVOETYRNLKCB-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001007751550 1336695206 /nfs/dbraw/zinc/69/52/06/1336695206.db2.gz ZYWKZSXVTLEXIL-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001007751550 1336695208 /nfs/dbraw/zinc/69/52/08/1336695208.db2.gz ZYWKZSXVTLEXIL-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001007751550 1336695210 /nfs/dbraw/zinc/69/52/10/1336695210.db2.gz ZYWKZSXVTLEXIL-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001007788565 1336700548 /nfs/dbraw/zinc/70/05/48/1336700548.db2.gz QEHLRFJQSCRMHI-IBGZPJMESA-N 2 1 345.531 3.086 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008278789 1336813282 /nfs/dbraw/zinc/81/32/82/1336813282.db2.gz YPYCITWDUBAVTD-UYAOXDASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008278789 1336813284 /nfs/dbraw/zinc/81/32/84/1336813284.db2.gz YPYCITWDUBAVTD-UYAOXDASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008278789 1336813287 /nfs/dbraw/zinc/81/32/87/1336813287.db2.gz YPYCITWDUBAVTD-UYAOXDASSA-N 2 1 347.547 3.330 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCC3CCC3)C2)C1 ZINC001008282691 1336814708 /nfs/dbraw/zinc/81/47/08/1336814708.db2.gz YRVJFBPSQAUNKC-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCCC3CCC3)C2)C1 ZINC001008282691 1336814709 /nfs/dbraw/zinc/81/47/09/1336814709.db2.gz YRVJFBPSQAUNKC-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCCC3CCC3)C2)C1 ZINC001008282691 1336814711 /nfs/dbraw/zinc/81/47/11/1336814711.db2.gz YRVJFBPSQAUNKC-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001008344597 1336828542 /nfs/dbraw/zinc/82/85/42/1336828542.db2.gz RNXJFHPRHOMJKV-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001008344597 1336828546 /nfs/dbraw/zinc/82/85/46/1336828546.db2.gz RNXJFHPRHOMJKV-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001008529276 1336876581 /nfs/dbraw/zinc/87/65/81/1336876581.db2.gz FLVSTPNJFSDBMP-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001008529276 1336876582 /nfs/dbraw/zinc/87/65/82/1336876582.db2.gz FLVSTPNJFSDBMP-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001008529276 1336876583 /nfs/dbraw/zinc/87/65/83/1336876583.db2.gz FLVSTPNJFSDBMP-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001008742361 1336918746 /nfs/dbraw/zinc/91/87/46/1336918746.db2.gz ZSYSUSZUYIPOCQ-QGZVFWFLSA-N 2 1 334.508 3.023 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001008742361 1336918750 /nfs/dbraw/zinc/91/87/50/1336918750.db2.gz ZSYSUSZUYIPOCQ-QGZVFWFLSA-N 2 1 334.508 3.023 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001008749288 1336919904 /nfs/dbraw/zinc/91/99/04/1336919904.db2.gz RYDYIEMGGGYLAN-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c(Cl)cncc2Br)CCC[C@H]1C[NH3+] ZINC001206036574 1370945238 /nfs/dbraw/zinc/94/52/38/1370945238.db2.gz LMHKIMCWRZUIJZ-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001009054371 1336960784 /nfs/dbraw/zinc/96/07/84/1336960784.db2.gz ZFAPVVLFICZRGY-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014391241 1337763710 /nfs/dbraw/zinc/76/37/10/1337763710.db2.gz BPIHOMQBPRAYHC-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001014391241 1337763712 /nfs/dbraw/zinc/76/37/12/1337763712.db2.gz BPIHOMQBPRAYHC-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001014391241 1337763714 /nfs/dbraw/zinc/76/37/14/1337763714.db2.gz BPIHOMQBPRAYHC-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001014607557 1337845936 /nfs/dbraw/zinc/84/59/36/1337845936.db2.gz MGJAWOVFBZTTFJ-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001014607557 1337845938 /nfs/dbraw/zinc/84/59/38/1337845938.db2.gz MGJAWOVFBZTTFJ-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001014723749 1337885216 /nfs/dbraw/zinc/88/52/16/1337885216.db2.gz RGVGWWXRDDQLAU-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001014723749 1337885221 /nfs/dbraw/zinc/88/52/21/1337885221.db2.gz RGVGWWXRDDQLAU-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001014723749 1337885225 /nfs/dbraw/zinc/88/52/25/1337885225.db2.gz RGVGWWXRDDQLAU-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CCC2CCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001014730918 1337890050 /nfs/dbraw/zinc/89/00/50/1337890050.db2.gz YMQATZJYTSSPRK-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CCC2CCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001014730918 1337890055 /nfs/dbraw/zinc/89/00/55/1337890055.db2.gz YMQATZJYTSSPRK-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CCC2CCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001014730918 1337890061 /nfs/dbraw/zinc/89/00/61/1337890061.db2.gz YMQATZJYTSSPRK-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603313 1338204615 /nfs/dbraw/zinc/20/46/15/1338204615.db2.gz RCOHCAJCNCJTSN-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603313 1338204616 /nfs/dbraw/zinc/20/46/16/1338204616.db2.gz RCOHCAJCNCJTSN-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603313 1338204618 /nfs/dbraw/zinc/20/46/18/1338204618.db2.gz RCOHCAJCNCJTSN-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001015794640 1338314888 /nfs/dbraw/zinc/31/48/88/1338314888.db2.gz IPGYJVUAGOBMFE-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001016340282 1338555740 /nfs/dbraw/zinc/55/57/40/1338555740.db2.gz WFBLDBLTSKEAFU-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001016340282 1338555744 /nfs/dbraw/zinc/55/57/44/1338555744.db2.gz WFBLDBLTSKEAFU-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001016340282 1338555749 /nfs/dbraw/zinc/55/57/49/1338555749.db2.gz WFBLDBLTSKEAFU-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001016623310 1338667722 /nfs/dbraw/zinc/66/77/22/1338667722.db2.gz CWHKWGJJKFZWNQ-IEBWSBKVSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016702134 1338695904 /nfs/dbraw/zinc/69/59/04/1338695904.db2.gz LBHDCSNXKFSZRZ-MOPGFXCFSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001016924161 1338771510 /nfs/dbraw/zinc/77/15/10/1338771510.db2.gz RKLBXEVNHZTCFZ-MOPGFXCFSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001017129244 1338884825 /nfs/dbraw/zinc/88/48/25/1338884825.db2.gz YLFCCIGWWAFKPH-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001017129244 1338884832 /nfs/dbraw/zinc/88/48/32/1338884832.db2.gz YLFCCIGWWAFKPH-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001017129244 1338884837 /nfs/dbraw/zinc/88/48/37/1338884837.db2.gz YLFCCIGWWAFKPH-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)C1CCC1 ZINC001017141760 1338892980 /nfs/dbraw/zinc/89/29/80/1338892980.db2.gz IMIWEMNCNGLSHN-QGZVFWFLSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001017141760 1338892986 /nfs/dbraw/zinc/89/29/86/1338892986.db2.gz IMIWEMNCNGLSHN-QGZVFWFLSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001017141760 1338892989 /nfs/dbraw/zinc/89/29/89/1338892989.db2.gz IMIWEMNCNGLSHN-QGZVFWFLSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1)[NH+](C)C ZINC001017214220 1338958444 /nfs/dbraw/zinc/95/84/44/1338958444.db2.gz VXOLPVGZCHRGEP-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001017659584 1339385808 /nfs/dbraw/zinc/38/58/08/1339385808.db2.gz WMBRYZZEUGWWHR-INDMIFKZSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001017659584 1339385811 /nfs/dbraw/zinc/38/58/11/1339385811.db2.gz WMBRYZZEUGWWHR-INDMIFKZSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001017659584 1339385816 /nfs/dbraw/zinc/38/58/16/1339385816.db2.gz WMBRYZZEUGWWHR-INDMIFKZSA-N 2 1 347.547 3.115 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CCC1CC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093875 1340422802 /nfs/dbraw/zinc/42/28/02/1340422802.db2.gz PUHKYGNDGCHSDA-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CCC1CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093875 1340422805 /nfs/dbraw/zinc/42/28/05/1340422805.db2.gz PUHKYGNDGCHSDA-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CCC1CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093875 1340422809 /nfs/dbraw/zinc/42/28/09/1340422809.db2.gz PUHKYGNDGCHSDA-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028114548 1340436283 /nfs/dbraw/zinc/43/62/83/1340436283.db2.gz IRTLEJYPIOIUJL-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137429 1340449860 /nfs/dbraw/zinc/44/98/60/1340449860.db2.gz JLXAYKFLHFRMTE-HXUWFJFHSA-N 2 1 345.531 3.031 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028181273 1340472200 /nfs/dbraw/zinc/47/22/00/1340472200.db2.gz PZTJSILZHGNVGY-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001028181273 1340472201 /nfs/dbraw/zinc/47/22/01/1340472201.db2.gz PZTJSILZHGNVGY-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001028181273 1340472203 /nfs/dbraw/zinc/47/22/03/1340472203.db2.gz PZTJSILZHGNVGY-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCC2)c1 ZINC001028334131 1340571412 /nfs/dbraw/zinc/57/14/12/1340571412.db2.gz SZBVMAGRSCEUAJ-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001028538059 1340693611 /nfs/dbraw/zinc/69/36/11/1340693611.db2.gz ZAYJJPXGRREECS-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001028538059 1340693616 /nfs/dbraw/zinc/69/36/16/1340693616.db2.gz ZAYJJPXGRREECS-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001028538059 1340693619 /nfs/dbraw/zinc/69/36/19/1340693619.db2.gz ZAYJJPXGRREECS-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP O=C(NC[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001028594641 1340718962 /nfs/dbraw/zinc/71/89/62/1340718962.db2.gz JKPWZLBHLQQMDU-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001028594641 1340718964 /nfs/dbraw/zinc/71/89/64/1340718964.db2.gz JKPWZLBHLQQMDU-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001028594641 1340718968 /nfs/dbraw/zinc/71/89/68/1340718968.db2.gz JKPWZLBHLQQMDU-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001028846072 1340856799 /nfs/dbraw/zinc/85/67/99/1340856799.db2.gz XETCHVRLUVAMGM-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001028846072 1340856803 /nfs/dbraw/zinc/85/68/03/1340856803.db2.gz XETCHVRLUVAMGM-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001028846072 1340856808 /nfs/dbraw/zinc/85/68/08/1340856808.db2.gz XETCHVRLUVAMGM-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001028846074 1340857534 /nfs/dbraw/zinc/85/75/34/1340857534.db2.gz XETCHVRLUVAMGM-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001028846074 1340857540 /nfs/dbraw/zinc/85/75/40/1340857540.db2.gz XETCHVRLUVAMGM-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001028846074 1340857543 /nfs/dbraw/zinc/85/75/43/1340857543.db2.gz XETCHVRLUVAMGM-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029099889 1340930020 /nfs/dbraw/zinc/93/00/20/1340930020.db2.gz XWXJVXWJVNWLBH-FXAWDEMLSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029106581 1340931387 /nfs/dbraw/zinc/93/13/87/1340931387.db2.gz RFVZGHZMFZAPRI-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001029147090 1340942600 /nfs/dbraw/zinc/94/26/00/1340942600.db2.gz NHHNLGZKRLWBJI-IAGOWNOFSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001029146010 1340942657 /nfs/dbraw/zinc/94/26/57/1340942657.db2.gz GQJULGOQATUDOM-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001029145630 1340942741 /nfs/dbraw/zinc/94/27/41/1340942741.db2.gz BXYCDPSADKSYQU-MSOLQXFVSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]C(C)C)CC1 ZINC001029163678 1340946097 /nfs/dbraw/zinc/94/60/97/1340946097.db2.gz AXQLGDRYNYGEIT-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001029755447 1341064251 /nfs/dbraw/zinc/06/42/51/1341064251.db2.gz NETZQYIHWOPEIQ-MSOLQXFVSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001029755447 1341064252 /nfs/dbraw/zinc/06/42/52/1341064252.db2.gz NETZQYIHWOPEIQ-MSOLQXFVSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001029755447 1341064253 /nfs/dbraw/zinc/06/42/53/1341064253.db2.gz NETZQYIHWOPEIQ-MSOLQXFVSA-N 2 1 343.515 3.012 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001029758844 1341064753 /nfs/dbraw/zinc/06/47/53/1341064753.db2.gz GRGANAUYWUFZOS-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001029758844 1341064754 /nfs/dbraw/zinc/06/47/54/1341064754.db2.gz GRGANAUYWUFZOS-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001029758844 1341064755 /nfs/dbraw/zinc/06/47/55/1341064755.db2.gz GRGANAUYWUFZOS-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001030020531 1341159849 /nfs/dbraw/zinc/15/98/49/1341159849.db2.gz RDEHJBVOWAGAES-IHPCNDPISA-N 2 1 343.515 3.121 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001030033525 1341162304 /nfs/dbraw/zinc/16/23/04/1341162304.db2.gz MHEZMIBSLXNZRR-ZULIPRJHSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001030033525 1341162305 /nfs/dbraw/zinc/16/23/05/1341162305.db2.gz MHEZMIBSLXNZRR-ZULIPRJHSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001030033525 1341162306 /nfs/dbraw/zinc/16/23/06/1341162306.db2.gz MHEZMIBSLXNZRR-ZULIPRJHSA-N 2 1 343.515 3.059 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCC2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001030315444 1341178279 /nfs/dbraw/zinc/17/82/79/1341178279.db2.gz XMKPBOQERQOZEF-SFHVURJKSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2C[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001030825869 1341231811 /nfs/dbraw/zinc/23/18/11/1341231811.db2.gz RDUATCFQMDHDGI-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CCC(C[NH+]2CC(NC(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)CC1 ZINC001031082587 1341275406 /nfs/dbraw/zinc/27/54/06/1341275406.db2.gz QMYJRMZZRYYYGE-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CCC(C[NH+]2CC(NC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)CC1 ZINC001031082587 1341275408 /nfs/dbraw/zinc/27/54/08/1341275408.db2.gz QMYJRMZZRYYYGE-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCCC2CCC2)C1 ZINC001031235168 1341301103 /nfs/dbraw/zinc/30/11/03/1341301103.db2.gz PFIGNZQSPYQATQ-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCCC2CCC2)C1 ZINC001031235168 1341301106 /nfs/dbraw/zinc/30/11/06/1341301106.db2.gz PFIGNZQSPYQATQ-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001031584893 1341371766 /nfs/dbraw/zinc/37/17/66/1341371766.db2.gz LLEWSETVKNXBLX-JXFKEZNVSA-N 2 1 343.515 3.013 20 0 EGADMP O=C(NCC1C[NH+](CC2CCCCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001031767783 1341399134 /nfs/dbraw/zinc/39/91/34/1341399134.db2.gz YESLEGXKHDMFHV-UXHICEINSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](CCC3=CCCCC3)C2)C1 ZINC001031919140 1341421935 /nfs/dbraw/zinc/42/19/35/1341421935.db2.gz MRVWPZMKIILSNN-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCC1 ZINC001032433187 1341511569 /nfs/dbraw/zinc/51/15/69/1341511569.db2.gz LHXNSMTZCQWMHC-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCC1 ZINC001032433187 1341511570 /nfs/dbraw/zinc/51/15/70/1341511570.db2.gz LHXNSMTZCQWMHC-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCCC1 ZINC001032433187 1341511571 /nfs/dbraw/zinc/51/15/71/1341511571.db2.gz LHXNSMTZCQWMHC-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001032583943 1341549262 /nfs/dbraw/zinc/54/92/62/1341549262.db2.gz JTDROKSQWHQOEA-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001032583943 1341549264 /nfs/dbraw/zinc/54/92/64/1341549264.db2.gz JTDROKSQWHQOEA-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001032583943 1341549265 /nfs/dbraw/zinc/54/92/65/1341549265.db2.gz JTDROKSQWHQOEA-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1=CCCCC1 ZINC001032802520 1341618922 /nfs/dbraw/zinc/61/89/22/1341618922.db2.gz CAWUBIKNRVVVCB-SLFFLAALSA-N 2 1 345.531 3.036 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1=CCCCC1 ZINC001032802520 1341618923 /nfs/dbraw/zinc/61/89/23/1341618923.db2.gz CAWUBIKNRVVVCB-SLFFLAALSA-N 2 1 345.531 3.036 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1=CCCCC1 ZINC001032802520 1341618924 /nfs/dbraw/zinc/61/89/24/1341618924.db2.gz CAWUBIKNRVVVCB-SLFFLAALSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C)c1ccccc1 ZINC001032803069 1341618971 /nfs/dbraw/zinc/61/89/71/1341618971.db2.gz FSUUWIJKTQQXTN-FHWLQOOXSA-N 2 1 343.515 3.011 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C)c1ccccc1 ZINC001032803069 1341618972 /nfs/dbraw/zinc/61/89/72/1341618972.db2.gz FSUUWIJKTQQXTN-FHWLQOOXSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032838184 1341630916 /nfs/dbraw/zinc/63/09/16/1341630916.db2.gz XUWBLSLQWMRYTQ-NSISKUIASA-N 2 1 343.515 3.156 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001032838184 1341630917 /nfs/dbraw/zinc/63/09/17/1341630917.db2.gz XUWBLSLQWMRYTQ-NSISKUIASA-N 2 1 343.515 3.156 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001032838184 1341630918 /nfs/dbraw/zinc/63/09/18/1341630918.db2.gz XUWBLSLQWMRYTQ-NSISKUIASA-N 2 1 343.515 3.156 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033074935 1341716642 /nfs/dbraw/zinc/71/66/42/1341716642.db2.gz BYYIGQNSHPJDNX-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)[C@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001033144142 1341738416 /nfs/dbraw/zinc/73/84/16/1341738416.db2.gz SDJSYXBIXRWFAV-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCCC3CCC3)C2)C1 ZINC001033144142 1341738419 /nfs/dbraw/zinc/73/84/19/1341738419.db2.gz SDJSYXBIXRWFAV-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001033144142 1341738423 /nfs/dbraw/zinc/73/84/23/1341738423.db2.gz SDJSYXBIXRWFAV-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCCC3CCCC3)C2)CC[N@H+]1C ZINC001033357747 1341795640 /nfs/dbraw/zinc/79/56/40/1341795640.db2.gz BUGHGMQYZJZUTA-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001033357747 1341795642 /nfs/dbraw/zinc/79/56/42/1341795642.db2.gz BUGHGMQYZJZUTA-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001033357747 1341795646 /nfs/dbraw/zinc/79/56/46/1341795646.db2.gz BUGHGMQYZJZUTA-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[NH+]1C1CCCC1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033359680 1341796244 /nfs/dbraw/zinc/79/62/44/1341796244.db2.gz AOSLWYQZKADVME-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[C@H]1CC[NH+](CC2CCC2)C1 ZINC001033359680 1341796245 /nfs/dbraw/zinc/79/62/45/1341796245.db2.gz AOSLWYQZKADVME-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)[C@H]1CC[NH+](CC2CCC2)C1 ZINC001033359680 1341796248 /nfs/dbraw/zinc/79/62/48/1341796248.db2.gz AOSLWYQZKADVME-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033684782 1341951200 /nfs/dbraw/zinc/95/12/00/1341951200.db2.gz QMNKRVOFKCNADE-FQEVSTJZSA-N 2 1 343.515 3.085 20 0 EGADMP CCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033856687 1342047315 /nfs/dbraw/zinc/04/73/15/1342047315.db2.gz VOZBFFYERVZCFD-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001033856687 1342047318 /nfs/dbraw/zinc/04/73/18/1342047318.db2.gz VOZBFFYERVZCFD-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001033856687 1342047321 /nfs/dbraw/zinc/04/73/21/1342047321.db2.gz VOZBFFYERVZCFD-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](F)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033989628 1342133513 /nfs/dbraw/zinc/13/35/13/1342133513.db2.gz MSDXQODNVWYKFL-OALUTQOASA-N 2 1 349.494 3.033 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034003948 1342141474 /nfs/dbraw/zinc/14/14/74/1342141474.db2.gz JKRXILFYIKYBSG-MJGOQNOKSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001034040359 1342180279 /nfs/dbraw/zinc/18/02/79/1342180279.db2.gz SSBGCMVBRHAWKT-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001034040359 1342180281 /nfs/dbraw/zinc/18/02/81/1342180281.db2.gz SSBGCMVBRHAWKT-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001034040359 1342180285 /nfs/dbraw/zinc/18/02/85/1342180285.db2.gz SSBGCMVBRHAWKT-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045544 1342185882 /nfs/dbraw/zinc/18/58/82/1342185882.db2.gz KVCMTFMZPIVZFN-YLJYHZDGSA-N 2 1 345.531 3.331 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CCCC3CCCC3)C2)CC[N@H+]1C ZINC001034214706 1342322005 /nfs/dbraw/zinc/32/20/05/1342322005.db2.gz PGQFNBKJIPWZOJ-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001034214706 1342322009 /nfs/dbraw/zinc/32/20/09/1342322009.db2.gz PGQFNBKJIPWZOJ-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001034214706 1342322014 /nfs/dbraw/zinc/32/20/14/1342322014.db2.gz PGQFNBKJIPWZOJ-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034240915 1342341272 /nfs/dbraw/zinc/34/12/72/1342341272.db2.gz ULWXZBFVHRWGKV-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC001034240915 1342341274 /nfs/dbraw/zinc/34/12/74/1342341274.db2.gz ULWXZBFVHRWGKV-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC(C)(C)C)C1 ZINC001034240915 1342341278 /nfs/dbraw/zinc/34/12/78/1342341278.db2.gz ULWXZBFVHRWGKV-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034269460 1342360372 /nfs/dbraw/zinc/36/03/72/1342360372.db2.gz DXGRUTKTFNYTFF-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034269460 1342360373 /nfs/dbraw/zinc/36/03/73/1342360373.db2.gz DXGRUTKTFNYTFF-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034269460 1342360375 /nfs/dbraw/zinc/36/03/75/1342360375.db2.gz DXGRUTKTFNYTFF-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034269460 1342360377 /nfs/dbraw/zinc/36/03/77/1342360377.db2.gz DXGRUTKTFNYTFF-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034474549 1342529378 /nfs/dbraw/zinc/52/93/78/1342529378.db2.gz LQXYNXYMDUWBJI-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC2)C1 ZINC001034481940 1342539208 /nfs/dbraw/zinc/53/92/08/1342539208.db2.gz XTDVLVYQZBSWDQ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CC2)C1 ZINC001034481940 1342539212 /nfs/dbraw/zinc/53/92/12/1342539212.db2.gz XTDVLVYQZBSWDQ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CC2)C1 ZINC001034481940 1342539213 /nfs/dbraw/zinc/53/92/13/1342539213.db2.gz XTDVLVYQZBSWDQ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538263 1342595428 /nfs/dbraw/zinc/59/54/28/1342595428.db2.gz RJRXHQQHEANTKC-HXUWFJFHSA-N 2 1 345.531 3.379 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034538312 1342596727 /nfs/dbraw/zinc/59/67/27/1342596727.db2.gz LNTRRPCEONJFRE-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034538312 1342596730 /nfs/dbraw/zinc/59/67/30/1342596730.db2.gz LNTRRPCEONJFRE-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034538312 1342596734 /nfs/dbraw/zinc/59/67/34/1342596734.db2.gz LNTRRPCEONJFRE-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034540647 1342599803 /nfs/dbraw/zinc/59/98/03/1342599803.db2.gz JPTRJOQSFLPVRJ-LJQANCHMSA-N 2 1 343.515 3.299 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001034612568 1342648350 /nfs/dbraw/zinc/64/83/50/1342648350.db2.gz SXQJYQXSAGXMAX-MLYOOKFZSA-N 2 1 343.515 3.167 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001034642454 1342667823 /nfs/dbraw/zinc/66/78/23/1342667823.db2.gz FCZUMOUNGJUAST-KZNAEPCWSA-N 2 1 349.544 3.138 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001034692351 1342695448 /nfs/dbraw/zinc/69/54/48/1342695448.db2.gz HRXPCBMOBFEWDV-WGSAOQKQSA-N 2 1 346.519 3.179 20 0 EGADMP CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC001034816329 1342779991 /nfs/dbraw/zinc/77/99/91/1342779991.db2.gz NCEGPPHUKVVZFC-IBGZPJMESA-N 2 1 343.515 3.067 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001034979445 1342863414 /nfs/dbraw/zinc/86/34/14/1342863414.db2.gz RRCNDGWFCLHERI-LJQANCHMSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001035133055 1342948735 /nfs/dbraw/zinc/94/87/35/1342948735.db2.gz IXXRQLCJLVEVMA-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@H](C(=O)N1CCC2(CC[N@@H+](CCCC3CCC3)C2)CC1)[NH+](C)C ZINC001035197964 1343011340 /nfs/dbraw/zinc/01/13/40/1343011340.db2.gz XOCHNOGQQSYEIA-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CC2 ZINC001035219510 1343040081 /nfs/dbraw/zinc/04/00/81/1343040081.db2.gz XIHHFPZGJPTMJG-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)CC2 ZINC001035219510 1343040087 /nfs/dbraw/zinc/04/00/87/1343040087.db2.gz XIHHFPZGJPTMJG-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)CC2 ZINC001035219510 1343040091 /nfs/dbraw/zinc/04/00/91/1343040091.db2.gz XIHHFPZGJPTMJG-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CCC[N@H+]1CCC2(C1)CCN(C(=O)c1ccccc1C[NH+](C)C)CC2 ZINC001035257905 1343084721 /nfs/dbraw/zinc/08/47/21/1343084721.db2.gz AMBXCQDLQABILE-UHFFFAOYSA-N 2 1 343.515 3.086 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC2(CC[NH+](CCC(C)C)C2)CC1 ZINC001035260509 1343088094 /nfs/dbraw/zinc/08/80/94/1343088094.db2.gz XIRQNMHPQMBFCZ-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC2(CC[N@H+](CCC(C)C)C2)CC1 ZINC001035260509 1343088099 /nfs/dbraw/zinc/08/80/99/1343088099.db2.gz XIRQNMHPQMBFCZ-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CCC(C)C)C2)CC1 ZINC001035260509 1343088101 /nfs/dbraw/zinc/08/81/01/1343088101.db2.gz XIRQNMHPQMBFCZ-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036755212 1343676802 /nfs/dbraw/zinc/67/68/02/1343676802.db2.gz SMFLKWLDVGCBPM-IEBWSBKVSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@H]21 ZINC001036755212 1343676803 /nfs/dbraw/zinc/67/68/03/1343676803.db2.gz SMFLKWLDVGCBPM-IEBWSBKVSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@H]21 ZINC001036755212 1343676804 /nfs/dbraw/zinc/67/68/04/1343676804.db2.gz SMFLKWLDVGCBPM-IEBWSBKVSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036793418 1343725952 /nfs/dbraw/zinc/72/59/52/1343725952.db2.gz DZZBNZLLUUWEDD-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CC2CCCC2)C1 ZINC001037240751 1344063090 /nfs/dbraw/zinc/06/30/90/1344063090.db2.gz MIJOIDLJDQDZTP-MOPGFXCFSA-N 2 1 349.563 3.173 20 0 EGADMP CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1[NH2+]CC1CCC1 ZINC001037923275 1344183069 /nfs/dbraw/zinc/18/30/69/1344183069.db2.gz AVAIOJHKFQHNAQ-QZTJIDSGSA-N 2 1 346.519 3.023 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001038319601 1344377966 /nfs/dbraw/zinc/37/79/66/1344377966.db2.gz AWULTWOEASDAJM-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001038319601 1344377969 /nfs/dbraw/zinc/37/79/69/1344377969.db2.gz AWULTWOEASDAJM-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001038319601 1344377973 /nfs/dbraw/zinc/37/79/73/1344377973.db2.gz AWULTWOEASDAJM-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001038448130 1344430475 /nfs/dbraw/zinc/43/04/75/1344430475.db2.gz HBLZKHIUTWWJHW-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001038448130 1344430481 /nfs/dbraw/zinc/43/04/81/1344430481.db2.gz HBLZKHIUTWWJHW-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCC1 ZINC001038448130 1344430483 /nfs/dbraw/zinc/43/04/83/1344430483.db2.gz HBLZKHIUTWWJHW-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCC1 ZINC001038910170 1344647597 /nfs/dbraw/zinc/64/75/97/1344647597.db2.gz VASGKRMRBQXQKS-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCC1 ZINC001038910170 1344647600 /nfs/dbraw/zinc/64/76/00/1344647600.db2.gz VASGKRMRBQXQKS-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCCC1 ZINC001038910170 1344647604 /nfs/dbraw/zinc/64/76/04/1344647604.db2.gz VASGKRMRBQXQKS-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1)[NH+](C)C ZINC001039159661 1344844652 /nfs/dbraw/zinc/84/46/52/1344844652.db2.gz UEZMBKDEFNWRNL-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039237247 1344959419 /nfs/dbraw/zinc/95/94/19/1344959419.db2.gz GATXCWMGXDNUMT-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001039249489 1344979385 /nfs/dbraw/zinc/97/93/85/1344979385.db2.gz AZOVWMVPZFTIEC-UXHICEINSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001039286271 1344997253 /nfs/dbraw/zinc/99/72/53/1344997253.db2.gz LPQPLFSIDNNFOH-MSRNWOCLSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001039452371 1345075284 /nfs/dbraw/zinc/07/52/84/1345075284.db2.gz SPIPKABYZJSAMT-UXHICEINSA-N 2 1 343.515 3.083 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001039473890 1345088410 /nfs/dbraw/zinc/08/84/10/1345088410.db2.gz HGBFAHPMWRTCLE-MOPGFXCFSA-N 2 1 343.515 3.083 20 0 EGADMP CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001039492001 1345111829 /nfs/dbraw/zinc/11/18/29/1345111829.db2.gz CBNSKPGDVPJDFT-HXUWFJFHSA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001039492001 1345111831 /nfs/dbraw/zinc/11/18/31/1345111831.db2.gz CBNSKPGDVPJDFT-HXUWFJFHSA-N 2 1 343.515 3.012 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001039528567 1345131538 /nfs/dbraw/zinc/13/15/38/1345131538.db2.gz PIUBDSYTOPLPLL-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001039528567 1345131542 /nfs/dbraw/zinc/13/15/42/1345131542.db2.gz PIUBDSYTOPLPLL-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC001039528567 1345131545 /nfs/dbraw/zinc/13/15/45/1345131545.db2.gz PIUBDSYTOPLPLL-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC1CC[NH+](CC(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCC(C)(C)C)CC1 ZINC001039952880 1345259008 /nfs/dbraw/zinc/25/90/08/1345259008.db2.gz CFAAFFIHYPJXCN-KDURUIRLSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CCC(C)C)C3)CC[N@H+]1C ZINC001040208664 1345376149 /nfs/dbraw/zinc/37/61/49/1345376149.db2.gz AQSVVWIBZAQEHC-QKNQBKEWSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](CCC(C)C)C3)CC[NH+]1C ZINC001040208664 1345376153 /nfs/dbraw/zinc/37/61/53/1345376153.db2.gz AQSVVWIBZAQEHC-QKNQBKEWSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC(C)C)C3)CC[NH+]1C ZINC001040208664 1345376156 /nfs/dbraw/zinc/37/61/56/1345376156.db2.gz AQSVVWIBZAQEHC-QKNQBKEWSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC1CCCC1)C2)[NH+](C)C ZINC001040260377 1345399798 /nfs/dbraw/zinc/39/97/98/1345399798.db2.gz CRZIWRXQMIVNKP-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CC(C)C)C2 ZINC001040277022 1345408006 /nfs/dbraw/zinc/40/80/06/1345408006.db2.gz TYPYMWCICGUZAM-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(C)C)C2 ZINC001040277022 1345408009 /nfs/dbraw/zinc/40/80/09/1345408009.db2.gz TYPYMWCICGUZAM-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC(C)C)C2 ZINC001040277022 1345408012 /nfs/dbraw/zinc/40/80/12/1345408012.db2.gz TYPYMWCICGUZAM-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCCC1)C2)[NH+](C)C ZINC001040398464 1345476123 /nfs/dbraw/zinc/47/61/23/1345476123.db2.gz ISYFOGZAERQPEI-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040481250 1345514978 /nfs/dbraw/zinc/51/49/78/1345514978.db2.gz ZTNZRZNMYSPJLF-OAQYLSRUSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040544569 1345539256 /nfs/dbraw/zinc/53/92/56/1345539256.db2.gz WPGVQFQGRXFWPF-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040546873 1345541436 /nfs/dbraw/zinc/54/14/36/1345541436.db2.gz IGRKWZBTNZQISW-TZIWHRDSSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040546873 1345541440 /nfs/dbraw/zinc/54/14/40/1345541440.db2.gz IGRKWZBTNZQISW-TZIWHRDSSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)CC1 ZINC001040755175 1345575318 /nfs/dbraw/zinc/57/53/18/1345575318.db2.gz QGRSJPUKTMGTFK-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001040953190 1345609431 /nfs/dbraw/zinc/60/94/31/1345609431.db2.gz KUZFNDFXCYYGEC-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041357740 1345709926 /nfs/dbraw/zinc/70/99/26/1345709926.db2.gz INMMGTGBGKEMJU-CTNGQTDRSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357740 1345709928 /nfs/dbraw/zinc/70/99/28/1345709928.db2.gz INMMGTGBGKEMJU-CTNGQTDRSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357740 1345709931 /nfs/dbraw/zinc/70/99/31/1345709931.db2.gz INMMGTGBGKEMJU-CTNGQTDRSA-N 2 1 347.547 3.140 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[NH+](CC(C)C)C2)C1 ZINC001041781983 1345847808 /nfs/dbraw/zinc/84/78/08/1345847808.db2.gz NRFNLIYARMSYHK-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001041781983 1345847810 /nfs/dbraw/zinc/84/78/10/1345847810.db2.gz NRFNLIYARMSYHK-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001041781983 1345847811 /nfs/dbraw/zinc/84/78/11/1345847811.db2.gz NRFNLIYARMSYHK-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](CC2CCC(C(C)(C)C)CC2)C1 ZINC001042538354 1346087263 /nfs/dbraw/zinc/08/72/63/1346087263.db2.gz KAWLTLVLRVGLAQ-FAFZWHIHSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001042711728 1346108527 /nfs/dbraw/zinc/10/85/27/1346108527.db2.gz XTJBONXXDFUZOG-WOJBJXKFSA-N 2 1 343.515 3.153 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001042711728 1346108528 /nfs/dbraw/zinc/10/85/28/1346108528.db2.gz XTJBONXXDFUZOG-WOJBJXKFSA-N 2 1 343.515 3.153 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)C1C[NH+](CCC2=CCCCC2)C1 ZINC001042723306 1346110583 /nfs/dbraw/zinc/11/05/83/1346110583.db2.gz HBKHNFMSUSLJQO-UHFFFAOYSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1C[NH+](CCCC2CCCC2)C1 ZINC001042917369 1346124678 /nfs/dbraw/zinc/12/46/78/1346124678.db2.gz FRBFJSBWOLZJNS-LJQANCHMSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1C[NH+](CC2CCC(C)CC2)C1 ZINC001042921555 1346124932 /nfs/dbraw/zinc/12/49/32/1346124932.db2.gz KQAMKJFBHIJEKC-CTWPCTMYSA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CCC2CCCC2)C1 ZINC001044170447 1346265269 /nfs/dbraw/zinc/26/52/69/1346265269.db2.gz OZAQTWUKUQNBSI-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001044768267 1346424445 /nfs/dbraw/zinc/42/44/45/1346424445.db2.gz UFSNVTAVFSEZMI-SJORKVTESA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001045069439 1346489519 /nfs/dbraw/zinc/48/95/19/1346489519.db2.gz YTMXPKNVLMUECL-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001045273467 1346545326 /nfs/dbraw/zinc/54/53/26/1346545326.db2.gz KLMPGHXIIZICBX-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001045441669 1346594529 /nfs/dbraw/zinc/59/45/29/1346594529.db2.gz IQCAYDFWYGJCDG-SFHVURJKSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001045847643 1346720273 /nfs/dbraw/zinc/72/02/73/1346720273.db2.gz LYQQWQSKOXBSJL-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001045847643 1346720275 /nfs/dbraw/zinc/72/02/75/1346720275.db2.gz LYQQWQSKOXBSJL-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001045847643 1346720278 /nfs/dbraw/zinc/72/02/78/1346720278.db2.gz LYQQWQSKOXBSJL-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045949137 1346783905 /nfs/dbraw/zinc/78/39/05/1346783905.db2.gz YLIKJBYXSHBORM-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001045949137 1346783907 /nfs/dbraw/zinc/78/39/07/1346783907.db2.gz YLIKJBYXSHBORM-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001045949137 1346783910 /nfs/dbraw/zinc/78/39/10/1346783910.db2.gz YLIKJBYXSHBORM-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045949134 1346784099 /nfs/dbraw/zinc/78/40/99/1346784099.db2.gz YLIKJBYXSHBORM-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001045949134 1346784103 /nfs/dbraw/zinc/78/41/03/1346784103.db2.gz YLIKJBYXSHBORM-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001045949134 1346784104 /nfs/dbraw/zinc/78/41/04/1346784104.db2.gz YLIKJBYXSHBORM-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958627 1346793195 /nfs/dbraw/zinc/79/31/95/1346793195.db2.gz UWJJGHYLUJRFQF-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@]3(CC[NH+](CCC(C)(C)C)C3)C2)C1 ZINC001045984679 1346825250 /nfs/dbraw/zinc/82/52/50/1346825250.db2.gz GLBVMWGQMWGCPE-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N2CCCC[C@@]3(CC[N@H+](CCC(C)(C)C)C3)C2)C1 ZINC001045984679 1346825251 /nfs/dbraw/zinc/82/52/51/1346825251.db2.gz GLBVMWGQMWGCPE-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N2CCCC[C@@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)C1 ZINC001045984679 1346825253 /nfs/dbraw/zinc/82/52/53/1346825253.db2.gz GLBVMWGQMWGCPE-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CC(C)C)C2)C1 ZINC001045986257 1346827317 /nfs/dbraw/zinc/82/73/17/1346827317.db2.gz MGIRODAHLAVHQK-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001045986257 1346827319 /nfs/dbraw/zinc/82/73/19/1346827319.db2.gz MGIRODAHLAVHQK-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001045986257 1346827320 /nfs/dbraw/zinc/82/73/20/1346827320.db2.gz MGIRODAHLAVHQK-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CC2CCCCCC2)C1 ZINC001046314292 1346931499 /nfs/dbraw/zinc/93/14/99/1346931499.db2.gz AXRZALJCFNLNLC-PZJWPPBQSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC2CCCCCC2)C1 ZINC001046314292 1346931500 /nfs/dbraw/zinc/93/15/00/1346931500.db2.gz AXRZALJCFNLNLC-PZJWPPBQSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC2CCCCCC2)C1 ZINC001046314292 1346931502 /nfs/dbraw/zinc/93/15/02/1346931502.db2.gz AXRZALJCFNLNLC-PZJWPPBQSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046318365 1346933180 /nfs/dbraw/zinc/93/31/80/1346933180.db2.gz KUJDOQKAJAHRAT-GHTZIAJQSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046318365 1346933183 /nfs/dbraw/zinc/93/31/83/1346933183.db2.gz KUJDOQKAJAHRAT-GHTZIAJQSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046318365 1346933185 /nfs/dbraw/zinc/93/31/85/1346933185.db2.gz KUJDOQKAJAHRAT-GHTZIAJQSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+](CCC2CCCCCC2)C1 ZINC001046776884 1347095283 /nfs/dbraw/zinc/09/52/83/1347095283.db2.gz LSTJHBOQVDYEGM-HXUWFJFHSA-N 2 1 347.547 3.023 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046850869 1347129512 /nfs/dbraw/zinc/12/95/12/1347129512.db2.gz AXTGSFAMHJBGHD-OAQYLSRUSA-N 2 1 345.531 3.379 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047242541 1347268715 /nfs/dbraw/zinc/26/87/15/1347268715.db2.gz UVRQYHHJIVOHMK-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001047256819 1347279982 /nfs/dbraw/zinc/27/99/82/1347279982.db2.gz CGSSQWWEFCBZDL-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]([NH2+]CC1CCC1)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001047890347 1347400404 /nfs/dbraw/zinc/40/04/04/1347400404.db2.gz ZMEAJZFNCMXQCW-AEFFLSMTSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001048294286 1347511124 /nfs/dbraw/zinc/51/11/24/1347511124.db2.gz DVCONGBPDJUCJC-FUHWJXTLSA-N 2 1 349.563 3.124 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001048510451 1347572956 /nfs/dbraw/zinc/57/29/56/1347572956.db2.gz MHMRWLZZECSUTD-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001048510451 1347572957 /nfs/dbraw/zinc/57/29/57/1347572957.db2.gz MHMRWLZZECSUTD-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001048510451 1347572960 /nfs/dbraw/zinc/57/29/60/1347572960.db2.gz MHMRWLZZECSUTD-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001048530903 1347580571 /nfs/dbraw/zinc/58/05/71/1347580571.db2.gz DSYSGSOLOSCXGI-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001048530903 1347580574 /nfs/dbraw/zinc/58/05/74/1347580574.db2.gz DSYSGSOLOSCXGI-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001048530903 1347580577 /nfs/dbraw/zinc/58/05/77/1347580577.db2.gz DSYSGSOLOSCXGI-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001048611122 1347618066 /nfs/dbraw/zinc/61/80/66/1347618066.db2.gz OUHHPWOOBWQGMB-VAMGGRTRSA-N 2 1 349.563 3.173 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCC(C)(C)C)CC[N@H+]1C ZINC001049483341 1347871043 /nfs/dbraw/zinc/87/10/43/1347871043.db2.gz VYHMQPRMQTYDGV-RDGPPVDQSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001049483341 1347871044 /nfs/dbraw/zinc/87/10/44/1347871044.db2.gz VYHMQPRMQTYDGV-RDGPPVDQSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001049483341 1347871046 /nfs/dbraw/zinc/87/10/46/1347871046.db2.gz VYHMQPRMQTYDGV-RDGPPVDQSA-N 2 1 349.563 3.218 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCC2CCCC2)CCC1 ZINC001049517667 1347888517 /nfs/dbraw/zinc/88/85/17/1347888517.db2.gz LUQXJRAXESVTFW-MOPGFXCFSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCCCC1)[NH+](C)C ZINC001049550116 1347903289 /nfs/dbraw/zinc/90/32/89/1347903289.db2.gz KEUHZGLOSNRYPS-VAMGGRTRSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC1CCCC1)[NH+](C)C ZINC001049550482 1347903844 /nfs/dbraw/zinc/90/38/44/1347903844.db2.gz MGZCHXLQQPOFGR-VAMGGRTRSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563195 1347910695 /nfs/dbraw/zinc/91/06/95/1347910695.db2.gz CXQUAKQMACYNHC-QZTJIDSGSA-N 2 1 335.536 3.115 20 0 EGADMP CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049563195 1347910697 /nfs/dbraw/zinc/91/06/97/1347910697.db2.gz CXQUAKQMACYNHC-QZTJIDSGSA-N 2 1 335.536 3.115 20 0 EGADMP CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563195 1347910699 /nfs/dbraw/zinc/91/06/99/1347910699.db2.gz CXQUAKQMACYNHC-QZTJIDSGSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568431 1347914808 /nfs/dbraw/zinc/91/48/08/1347914808.db2.gz UETPNMPZMWHQGV-MSOLQXFVSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001079789596 1357383053 /nfs/dbraw/zinc/38/30/53/1357383053.db2.gz MUODCBTYTZOXPB-RHSMWYFYSA-N 2 1 349.544 3.050 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001079789596 1357383056 /nfs/dbraw/zinc/38/30/56/1357383056.db2.gz MUODCBTYTZOXPB-RHSMWYFYSA-N 2 1 349.544 3.050 20 0 EGADMP CC(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763751 1348008312 /nfs/dbraw/zinc/00/83/12/1348008312.db2.gz XWYRPEDSACPXTK-ROUUACIJSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763751 1348008314 /nfs/dbraw/zinc/00/83/14/1348008314.db2.gz XWYRPEDSACPXTK-ROUUACIJSA-N 2 1 346.519 3.118 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806974 1348029202 /nfs/dbraw/zinc/02/92/02/1348029202.db2.gz QIQFBDXDTBQXTD-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCCCC1 ZINC001049892798 1348096657 /nfs/dbraw/zinc/09/66/57/1348096657.db2.gz AHIBCXHTUCKTLU-VQTJNVASSA-N 2 1 347.547 3.118 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]2C[N@@H+](CC3CCC(C)CC3)C[C@H]21)[NH+](C)C ZINC001050075269 1348174060 /nfs/dbraw/zinc/17/40/60/1348174060.db2.gz AFSBLAJMXFDDLZ-GNWGEKMJSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]([NH2+]CC1CCCC1)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001050257500 1348220854 /nfs/dbraw/zinc/22/08/54/1348220854.db2.gz IYMQIRPVOUELPE-JXFKEZNVSA-N 2 1 343.515 3.238 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001050543686 1348287061 /nfs/dbraw/zinc/28/70/61/1348287061.db2.gz KCKZTTDWKKUNIK-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC001050765986 1348352374 /nfs/dbraw/zinc/35/23/74/1348352374.db2.gz BEZKKLQMYFEMBU-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CC(C)[N@H+]1CCc2c(CNC(=O)c3ccc4c[nH+]cn4c3)cccc2C1 ZINC001051293962 1348422822 /nfs/dbraw/zinc/42/28/22/1348422822.db2.gz YGLSKDMOCVZLHA-UHFFFAOYSA-N 2 1 348.450 3.031 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2CCC2)CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001052447537 1348543631 /nfs/dbraw/zinc/54/36/31/1348543631.db2.gz GZIRPSZXLXSBMB-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CC2CCC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001052447537 1348543634 /nfs/dbraw/zinc/54/36/34/1348543634.db2.gz GZIRPSZXLXSBMB-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CC2CCC2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001052447537 1348543636 /nfs/dbraw/zinc/54/36/36/1348543636.db2.gz GZIRPSZXLXSBMB-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448296 1348544283 /nfs/dbraw/zinc/54/42/83/1348544283.db2.gz XBAURIBZSQSNOW-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052448296 1348544284 /nfs/dbraw/zinc/54/42/84/1348544284.db2.gz XBAURIBZSQSNOW-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052448296 1348544292 /nfs/dbraw/zinc/54/42/92/1348544292.db2.gz XBAURIBZSQSNOW-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001052499153 1348559402 /nfs/dbraw/zinc/55/94/02/1348559402.db2.gz OTAHAYHHFZJCRW-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001052499153 1348559403 /nfs/dbraw/zinc/55/94/03/1348559403.db2.gz OTAHAYHHFZJCRW-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001052499153 1348559405 /nfs/dbraw/zinc/55/94/05/1348559405.db2.gz OTAHAYHHFZJCRW-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052516672 1348564264 /nfs/dbraw/zinc/56/42/64/1348564264.db2.gz QHNQRWLVGMKRHK-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052516672 1348564265 /nfs/dbraw/zinc/56/42/65/1348564265.db2.gz QHNQRWLVGMKRHK-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052516672 1348564266 /nfs/dbraw/zinc/56/42/66/1348564266.db2.gz QHNQRWLVGMKRHK-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052561524 1348579939 /nfs/dbraw/zinc/57/99/39/1348579939.db2.gz AMGHKJRVVOETTL-SFHVURJKSA-N 2 1 342.487 3.355 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2CCCC2)CC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001052590806 1348588884 /nfs/dbraw/zinc/58/88/84/1348588884.db2.gz HAGWFQYHIVPLLC-PMACEKPBSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052651888 1348614147 /nfs/dbraw/zinc/61/41/47/1348614147.db2.gz OLKHNGVFDVJNIG-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052651888 1348614148 /nfs/dbraw/zinc/61/41/48/1348614148.db2.gz OLKHNGVFDVJNIG-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052651888 1348614151 /nfs/dbraw/zinc/61/41/51/1348614151.db2.gz OLKHNGVFDVJNIG-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CC2CC(C)C2)CC1 ZINC001052756147 1348665906 /nfs/dbraw/zinc/66/59/06/1348665906.db2.gz CFGQJJAZQKHTCJ-ABHNRTSZSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CC2CC(C)C2)CC1 ZINC001052756147 1348665910 /nfs/dbraw/zinc/66/59/10/1348665910.db2.gz CFGQJJAZQKHTCJ-ABHNRTSZSA-N 2 1 346.519 3.023 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052837773 1348695634 /nfs/dbraw/zinc/69/56/34/1348695634.db2.gz VUIUKUCOQCILRX-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052837528 1348695672 /nfs/dbraw/zinc/69/56/72/1348695672.db2.gz QHXLONSEDRRDGC-LJQANCHMSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](CCCC3CCCC3)CC2)C1 ZINC001052868797 1348710668 /nfs/dbraw/zinc/71/06/68/1348710668.db2.gz YEWRBMGHVZYUTC-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@H+](CCCC3CCCC3)CC2)C1 ZINC001052868797 1348710669 /nfs/dbraw/zinc/71/06/69/1348710669.db2.gz YEWRBMGHVZYUTC-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@@H+](CCCC3CCCC3)CC2)C1 ZINC001052868797 1348710671 /nfs/dbraw/zinc/71/06/71/1348710671.db2.gz YEWRBMGHVZYUTC-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052873652 1348713226 /nfs/dbraw/zinc/71/32/26/1348713226.db2.gz QTBKZNIBNDAJFI-KRWDZBQOSA-N 2 1 346.519 3.168 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052873652 1348713230 /nfs/dbraw/zinc/71/32/30/1348713230.db2.gz QTBKZNIBNDAJFI-KRWDZBQOSA-N 2 1 346.519 3.168 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052934088 1348754695 /nfs/dbraw/zinc/75/46/95/1348754695.db2.gz HRGGHTBQLDPWRW-VQTJNVASSA-N 2 1 343.515 3.204 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052937886 1348756525 /nfs/dbraw/zinc/75/65/25/1348756525.db2.gz ONWXMNOLCQMIBK-RTBURBONSA-N 2 1 343.515 3.123 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052954323 1348768459 /nfs/dbraw/zinc/76/84/59/1348768459.db2.gz MWEMMNKNKHJSAQ-HXUWFJFHSA-N 2 1 345.531 3.379 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001052955568 1348769779 /nfs/dbraw/zinc/76/97/79/1348769779.db2.gz HHXYJMXYSIJISW-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001052955568 1348769780 /nfs/dbraw/zinc/76/97/80/1348769780.db2.gz HHXYJMXYSIJISW-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001052955568 1348769784 /nfs/dbraw/zinc/76/97/84/1348769784.db2.gz HHXYJMXYSIJISW-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052956856 1348771123 /nfs/dbraw/zinc/77/11/23/1348771123.db2.gz AHZRAWRACYQOJH-AEFFLSMTSA-N 2 1 349.494 3.081 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053044611 1348845710 /nfs/dbraw/zinc/84/57/10/1348845710.db2.gz QQBIFUFCIYJTJG-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053055062 1348862699 /nfs/dbraw/zinc/86/26/99/1348862699.db2.gz VHGYGUKEKMNADB-PMACEKPBSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053100472 1348933643 /nfs/dbraw/zinc/93/36/43/1348933643.db2.gz HIIJRZRMKHWNIH-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001054159465 1349161394 /nfs/dbraw/zinc/16/13/94/1349161394.db2.gz VVCSXDLTBCLBBQ-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159465 1349161398 /nfs/dbraw/zinc/16/13/98/1349161398.db2.gz VVCSXDLTBCLBBQ-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159465 1349161402 /nfs/dbraw/zinc/16/14/02/1349161402.db2.gz VVCSXDLTBCLBBQ-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054198290 1349200609 /nfs/dbraw/zinc/20/06/09/1349200609.db2.gz UVPMLNYEQBCWNK-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001054198290 1349200612 /nfs/dbraw/zinc/20/06/12/1349200612.db2.gz UVPMLNYEQBCWNK-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001054198290 1349200614 /nfs/dbraw/zinc/20/06/14/1349200614.db2.gz UVPMLNYEQBCWNK-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001054209490 1349210347 /nfs/dbraw/zinc/21/03/47/1349210347.db2.gz REMXKGQSMJHSEW-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245281 1349238444 /nfs/dbraw/zinc/23/84/44/1349238444.db2.gz QKUXARJFWWWAOS-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)c1ccccc1 ZINC001054297707 1349301948 /nfs/dbraw/zinc/30/19/48/1349301948.db2.gz PBSBJXVPZXOAMF-QGZVKYPTSA-N 2 1 343.515 3.059 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001080013635 1357458022 /nfs/dbraw/zinc/45/80/22/1357458022.db2.gz SIVVVRQOTZDFRE-AUUYWEPGSA-N 2 1 342.487 3.129 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001080021727 1357460650 /nfs/dbraw/zinc/46/06/50/1357460650.db2.gz OJQUFFCRSYXUTA-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C ZINC001080021727 1357460652 /nfs/dbraw/zinc/46/06/52/1357460652.db2.gz OJQUFFCRSYXUTA-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C ZINC001080021727 1357460654 /nfs/dbraw/zinc/46/06/54/1357460654.db2.gz OJQUFFCRSYXUTA-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001080556997 1357676630 /nfs/dbraw/zinc/67/66/30/1357676630.db2.gz AZAWOPPBJQOHSU-QRQLOZEOSA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001080556997 1357676643 /nfs/dbraw/zinc/67/66/43/1357676643.db2.gz AZAWOPPBJQOHSU-QRQLOZEOSA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001080556997 1357676645 /nfs/dbraw/zinc/67/66/45/1357676645.db2.gz AZAWOPPBJQOHSU-QRQLOZEOSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554245 1357676723 /nfs/dbraw/zinc/67/67/23/1357676723.db2.gz HVINHQSYWCKWPR-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC3CCC3)C2)ccc2c[nH+]cn21 ZINC001071627389 1354811884 /nfs/dbraw/zinc/81/18/84/1354811884.db2.gz FCFWAXQFXQJCCP-WMLDXEAASA-N 2 1 340.471 3.026 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001071646443 1354824225 /nfs/dbraw/zinc/82/42/25/1354824225.db2.gz YLKVCPILPVMLOH-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CCC(C)(C)C ZINC001071646161 1354824338 /nfs/dbraw/zinc/82/43/38/1354824338.db2.gz SNLDPTRBDFBCED-IRXDYDNUSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@H+]1Cc1ccccc1 ZINC001071685533 1354850007 /nfs/dbraw/zinc/85/00/07/1354850007.db2.gz DAQNQVFESMJXLL-QFBILLFUSA-N 2 1 348.450 3.117 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001071689981 1354854056 /nfs/dbraw/zinc/85/40/56/1354854056.db2.gz SPDBOUAXMGJSNK-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001071689981 1354854062 /nfs/dbraw/zinc/85/40/62/1354854062.db2.gz SPDBOUAXMGJSNK-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CC1CCCC1 ZINC001071735039 1354887513 /nfs/dbraw/zinc/88/75/13/1354887513.db2.gz FGBXTMWFFCRIDQ-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CCC(C)(C)C ZINC001071739324 1354888561 /nfs/dbraw/zinc/88/85/61/1354888561.db2.gz QVNIWEQKLTUWLC-IAGOWNOFSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001071768902 1354915193 /nfs/dbraw/zinc/91/51/93/1354915193.db2.gz FYOMAKQKLWUQSC-YJBOKZPZSA-N 2 1 349.519 3.360 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001071768902 1354915196 /nfs/dbraw/zinc/91/51/96/1354915196.db2.gz FYOMAKQKLWUQSC-YJBOKZPZSA-N 2 1 349.519 3.360 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[N@@H+]1CCC(C)(C)C ZINC001071769113 1354915460 /nfs/dbraw/zinc/91/54/60/1354915460.db2.gz LMJPVEBVVZXHAD-RDJZCZTQSA-N 2 1 349.519 3.360 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[N@H+]1CCC(C)(C)C ZINC001071769113 1354915465 /nfs/dbraw/zinc/91/54/65/1354915465.db2.gz LMJPVEBVVZXHAD-RDJZCZTQSA-N 2 1 349.519 3.360 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CCC1CCCCC1 ZINC001071794793 1354940626 /nfs/dbraw/zinc/94/06/26/1354940626.db2.gz FQBOUUZNOUNEDF-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC3CC3)C2)o1 ZINC001072109578 1355137098 /nfs/dbraw/zinc/13/70/98/1355137098.db2.gz JHSLWRDJRPABJQ-WBVHZDCISA-N 2 1 347.503 3.114 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(CC)CC)C3)C1 ZINC001072907783 1355491352 /nfs/dbraw/zinc/49/13/52/1355491352.db2.gz YGBWRJDAZWCEKE-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC3(C2)CC[N@H+](CC(CC)CC)C3)C1 ZINC001072907783 1355491354 /nfs/dbraw/zinc/49/13/54/1355491354.db2.gz YGBWRJDAZWCEKE-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CC(CC)CC)C3)C1 ZINC001072907783 1355491357 /nfs/dbraw/zinc/49/13/57/1355491357.db2.gz YGBWRJDAZWCEKE-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001073035358 1355563521 /nfs/dbraw/zinc/56/35/21/1355563521.db2.gz FEQYLIGVQKXMDD-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC2CCCC2)CC[N@H+]1C ZINC001074018233 1356037648 /nfs/dbraw/zinc/03/76/48/1356037648.db2.gz RLMRJHFKYNKMNO-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CCCC2)CC[NH+]1C ZINC001074018233 1356037651 /nfs/dbraw/zinc/03/76/51/1356037651.db2.gz RLMRJHFKYNKMNO-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CCCC2)CC[NH+]1C ZINC001074018233 1356037653 /nfs/dbraw/zinc/03/76/53/1356037653.db2.gz RLMRJHFKYNKMNO-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001075073085 1356292956 /nfs/dbraw/zinc/29/29/56/1356292956.db2.gz UJUXZSQBCSHQJT-CUWPLCDZSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC001075881162 1356438269 /nfs/dbraw/zinc/43/82/69/1356438269.db2.gz GHVJHGHBAOETSN-IPMKNSEASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001075881162 1356438272 /nfs/dbraw/zinc/43/82/72/1356438272.db2.gz GHVJHGHBAOETSN-IPMKNSEASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001075881162 1356438276 /nfs/dbraw/zinc/43/82/76/1356438276.db2.gz GHVJHGHBAOETSN-IPMKNSEASA-N 2 1 349.563 3.218 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099126849 1363639585 /nfs/dbraw/zinc/63/95/85/1363639585.db2.gz YLXIFUPEWFRFHQ-ZWHYWQQASA-N 2 1 337.552 3.290 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC(C)(C)C ZINC001099297410 1363737311 /nfs/dbraw/zinc/73/73/11/1363737311.db2.gz GDDDVWMIMQRYAL-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C ZINC001099297410 1363737314 /nfs/dbraw/zinc/73/73/14/1363737314.db2.gz GDDDVWMIMQRYAL-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C ZINC001099297410 1363737317 /nfs/dbraw/zinc/73/73/17/1363737317.db2.gz GDDDVWMIMQRYAL-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1C ZINC001080998810 1357777278 /nfs/dbraw/zinc/77/72/78/1357777278.db2.gz OJQWTLKTVSXSRF-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1C ZINC001080998810 1357777282 /nfs/dbraw/zinc/77/72/82/1357777282.db2.gz OJQWTLKTVSXSRF-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1C ZINC001080998810 1357777284 /nfs/dbraw/zinc/77/72/84/1357777284.db2.gz OJQWTLKTVSXSRF-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001081027397 1357786215 /nfs/dbraw/zinc/78/62/15/1357786215.db2.gz ONGMBUNMDCFOAO-JFIYKMOQSA-N 2 1 349.519 3.218 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001082507395 1358052840 /nfs/dbraw/zinc/05/28/40/1358052840.db2.gz OZINBJFGMQMNKW-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001082596298 1358065363 /nfs/dbraw/zinc/06/53/63/1358065363.db2.gz DELUTRQLIQMRAL-QRQLOZEOSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001082596586 1358065384 /nfs/dbraw/zinc/06/53/84/1358065384.db2.gz QNISZMMJTSDVTB-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001085217769 1358436220 /nfs/dbraw/zinc/43/62/20/1358436220.db2.gz PNHPJFROKYAXDH-VAMGGRTRSA-N 2 1 347.547 3.378 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001085244886 1358443424 /nfs/dbraw/zinc/44/34/24/1358443424.db2.gz CGRCNDNAKJSQMQ-AQNXPRMDSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCCC2)C1 ZINC001085332619 1358470349 /nfs/dbraw/zinc/47/03/49/1358470349.db2.gz GAFBPOJACUFVEO-DFQSSKMNSA-N 2 1 349.563 3.316 20 0 EGADMP C[NH+]1C(C)(C)CC(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1(C)C ZINC001183758280 1387344572 /nfs/dbraw/zinc/34/45/72/1387344572.db2.gz SASKEZFQPFJLIH-SFHVURJKSA-N 2 1 343.515 3.029 20 0 EGADMP C[NH+]1C(C)(C)CC(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1(C)C ZINC001183758280 1387344574 /nfs/dbraw/zinc/34/45/74/1387344574.db2.gz SASKEZFQPFJLIH-SFHVURJKSA-N 2 1 343.515 3.029 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCC(C)(C)C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085638840 1358652263 /nfs/dbraw/zinc/65/22/63/1358652263.db2.gz BSKBECCNEAZCHF-OALUTQOASA-N 2 1 349.563 3.362 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CCC(C)(C)C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085638840 1358652267 /nfs/dbraw/zinc/65/22/67/1358652267.db2.gz BSKBECCNEAZCHF-OALUTQOASA-N 2 1 349.563 3.362 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CCC(C)(C)C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085638840 1358652270 /nfs/dbraw/zinc/65/22/70/1358652270.db2.gz BSKBECCNEAZCHF-OALUTQOASA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCC2CCCC2)C1 ZINC001085778608 1358754042 /nfs/dbraw/zinc/75/40/42/1358754042.db2.gz CLYJOHZAXMDOLQ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC2CCCC2)C1 ZINC001085778608 1358754046 /nfs/dbraw/zinc/75/40/46/1358754046.db2.gz CLYJOHZAXMDOLQ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCC2CCCC2)C1 ZINC001085778608 1358754051 /nfs/dbraw/zinc/75/40/51/1358754051.db2.gz CLYJOHZAXMDOLQ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001183827244 1387354729 /nfs/dbraw/zinc/35/47/29/1387354729.db2.gz XCYQYTLGOLRSRV-QGZVFWFLSA-N 2 1 337.552 3.266 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCC1CCCCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001085798836 1358774485 /nfs/dbraw/zinc/77/44/85/1358774485.db2.gz BMOMGSHTDIKSNQ-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001323441091 1387370211 /nfs/dbraw/zinc/37/02/11/1387370211.db2.gz FJPICYIITJPVQT-GOSISDBHSA-N 2 1 349.563 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001086102350 1358997621 /nfs/dbraw/zinc/99/76/21/1358997621.db2.gz SCYSEHWHHRHVGM-ZCNNSNEGSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086133991 1359005429 /nfs/dbraw/zinc/00/54/29/1359005429.db2.gz MTJYDSYTNJAZIR-ZCNNSNEGSA-N 2 1 349.563 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086278188 1359051285 /nfs/dbraw/zinc/05/12/85/1359051285.db2.gz LEOLMMWXHQADBP-VWAQSERHSA-N 2 1 349.563 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001086278334 1359052025 /nfs/dbraw/zinc/05/20/25/1359052025.db2.gz RIUKIIHSLVGXNX-HSALFYBXSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001086364774 1359078571 /nfs/dbraw/zinc/07/85/71/1359078571.db2.gz RCIJUCAMSHNHIU-UFYCRDLUSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086694568 1359187576 /nfs/dbraw/zinc/18/75/76/1359187576.db2.gz YJLMGMXAVWDLJX-XUVXKRRUSA-N 2 1 349.563 3.314 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3=CCCCC3)C2)CC[N@H+]1C ZINC001086700641 1359187967 /nfs/dbraw/zinc/18/79/67/1359187967.db2.gz DAOWOVSRFPTVJX-ZGXWSNOMSA-N 2 1 347.547 3.092 20 0 EGADMP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001086937935 1359260696 /nfs/dbraw/zinc/26/06/96/1359260696.db2.gz DHRQIOWFHLZYDA-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939156 1359261608 /nfs/dbraw/zinc/26/16/08/1359261608.db2.gz JORLQAPYHWSXOV-OTWHNJEPSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCC1 ZINC001087220937 1359325159 /nfs/dbraw/zinc/32/51/59/1359325159.db2.gz LAEIMRFJCZKVFY-AEFFLSMTSA-N 2 1 346.519 3.023 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@H+]1CCCC1CCC1 ZINC001087569641 1359536142 /nfs/dbraw/zinc/53/61/42/1359536142.db2.gz GKBMILGNQXNOAF-XUVXKRRUSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CCCC1CCC1 ZINC001087569641 1359536144 /nfs/dbraw/zinc/53/61/44/1359536144.db2.gz GKBMILGNQXNOAF-XUVXKRRUSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC[NH+]1CCCC1CCC1 ZINC001087569641 1359536147 /nfs/dbraw/zinc/53/61/47/1359536147.db2.gz GKBMILGNQXNOAF-XUVXKRRUSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CCC(C)C ZINC001087572104 1359537437 /nfs/dbraw/zinc/53/74/37/1359537437.db2.gz AWIVZEDBMJWZFE-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(CC)CC)[C@@H]1CC ZINC001087593447 1359548052 /nfs/dbraw/zinc/54/80/52/1359548052.db2.gz HFQWCDCGHZMJAV-OTWHNJEPSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(CC)CC)[C@@H]1CC ZINC001087593447 1359548054 /nfs/dbraw/zinc/54/80/54/1359548054.db2.gz HFQWCDCGHZMJAV-OTWHNJEPSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(CC)CC)[C@@H]1CC ZINC001087593447 1359548055 /nfs/dbraw/zinc/54/80/55/1359548055.db2.gz HFQWCDCGHZMJAV-OTWHNJEPSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC[N@H+]1CC1CCCC1 ZINC001087602220 1359550757 /nfs/dbraw/zinc/55/07/57/1359550757.db2.gz FMXXUQQPFCHZJW-HSALFYBXSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CC1CCCC1 ZINC001087602220 1359550761 /nfs/dbraw/zinc/55/07/61/1359550761.db2.gz FMXXUQQPFCHZJW-HSALFYBXSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC[NH+]1CC1CCCC1 ZINC001087602220 1359550763 /nfs/dbraw/zinc/55/07/63/1359550763.db2.gz FMXXUQQPFCHZJW-HSALFYBXSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CC1CCCCCC1 ZINC001087625303 1359561650 /nfs/dbraw/zinc/56/16/50/1359561650.db2.gz BCTBAKKKEHJPSA-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CC1CCCCCC1 ZINC001087625303 1359561654 /nfs/dbraw/zinc/56/16/54/1359561654.db2.gz BCTBAKKKEHJPSA-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CC1CCCCCC1 ZINC001087625303 1359561656 /nfs/dbraw/zinc/56/16/56/1359561656.db2.gz BCTBAKKKEHJPSA-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CC1CCCCCC1 ZINC001087625303 1359561661 /nfs/dbraw/zinc/56/16/61/1359561661.db2.gz BCTBAKKKEHJPSA-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1csc(C)c1 ZINC001087625985 1359562163 /nfs/dbraw/zinc/56/21/63/1359562163.db2.gz DDIQYSFAANKFNL-KSZLIROESA-N 2 1 349.544 3.010 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1csc(C)c1 ZINC001087625985 1359562165 /nfs/dbraw/zinc/56/21/65/1359562165.db2.gz DDIQYSFAANKFNL-KSZLIROESA-N 2 1 349.544 3.010 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1csc(C)c1 ZINC001087625985 1359562167 /nfs/dbraw/zinc/56/21/67/1359562167.db2.gz DDIQYSFAANKFNL-KSZLIROESA-N 2 1 349.544 3.010 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1csc(C)c1 ZINC001087625985 1359562169 /nfs/dbraw/zinc/56/21/69/1359562169.db2.gz DDIQYSFAANKFNL-KSZLIROESA-N 2 1 349.544 3.010 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CCCC1CCC1 ZINC001087640819 1359566343 /nfs/dbraw/zinc/56/63/43/1359566343.db2.gz YTAXLTNVNBJAQP-RBUKOAKNSA-N 2 1 347.547 3.164 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CC1=CCCCC1 ZINC001087640616 1359566895 /nfs/dbraw/zinc/56/68/95/1359566895.db2.gz NJXKWKWVOFSJBF-RBUKOAKNSA-N 2 1 345.531 3.084 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1=CCCCC1 ZINC001087684827 1359588364 /nfs/dbraw/zinc/58/83/64/1359588364.db2.gz QHLGUBZRTRFLCU-RBUKOAKNSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC[N@H+]1CC1CCC1 ZINC001087749414 1359626279 /nfs/dbraw/zinc/62/62/79/1359626279.db2.gz KADQQXZOIMNXIK-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC[N@H+]1CCC(C)C ZINC001087749629 1359626804 /nfs/dbraw/zinc/62/68/04/1359626804.db2.gz RZRCDNDCMQUMTD-CEXWTWQISA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[N@H+]1CC1CC1 ZINC001087845297 1359678716 /nfs/dbraw/zinc/67/87/16/1359678716.db2.gz RVXOWRZTNYJYRA-ZWKOTPCHSA-N 2 1 347.503 3.114 20 0 EGADMP Cc1c(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ccc2c[nH+]cn21 ZINC001323657155 1387416989 /nfs/dbraw/zinc/41/69/89/1387416989.db2.gz WMWNCKXNTJMLHP-RVKKMQEKSA-N 2 1 340.471 3.120 20 0 EGADMP C[N@@H+](CC(=O)N1CCCCC[C@@H]([NH2+]CC2=CCCCC2)C1)C1CCC1 ZINC001088327172 1359831701 /nfs/dbraw/zinc/83/17/01/1359831701.db2.gz HGYWUQARCSSIOZ-LJQANCHMSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1 ZINC001088395153 1359870881 /nfs/dbraw/zinc/87/08/81/1359870881.db2.gz YWZSYKNNPVDFIJ-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]C(C)C)C1 ZINC001088411910 1359883673 /nfs/dbraw/zinc/88/36/73/1359883673.db2.gz SVCRQAUYFDZFEV-RTBURBONSA-N 2 1 337.552 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001088563449 1359974165 /nfs/dbraw/zinc/97/41/65/1359974165.db2.gz QQVOPGYEJWUJFX-NEWSRXKRSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H]1C ZINC001088563449 1359974168 /nfs/dbraw/zinc/97/41/68/1359974168.db2.gz QQVOPGYEJWUJFX-NEWSRXKRSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)[C@@H]1C ZINC001088563449 1359974173 /nfs/dbraw/zinc/97/41/73/1359974173.db2.gz QQVOPGYEJWUJFX-NEWSRXKRSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569424 1359976949 /nfs/dbraw/zinc/97/69/49/1359976949.db2.gz SPOZHLVESOTDMG-HBFSDRIKSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569424 1359976952 /nfs/dbraw/zinc/97/69/52/1359976952.db2.gz SPOZHLVESOTDMG-HBFSDRIKSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569424 1359976953 /nfs/dbraw/zinc/97/69/53/1359976953.db2.gz SPOZHLVESOTDMG-HBFSDRIKSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001088621895 1359993690 /nfs/dbraw/zinc/99/36/90/1359993690.db2.gz YEMMKMQDJCHBCY-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](CCCC2CCC2)[C@@H]1C ZINC001088621895 1359993693 /nfs/dbraw/zinc/99/36/93/1359993693.db2.gz YEMMKMQDJCHBCY-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)[C@@H]1C ZINC001088621895 1359993694 /nfs/dbraw/zinc/99/36/94/1359993694.db2.gz YEMMKMQDJCHBCY-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@H]2C)c1 ZINC001088748778 1360030660 /nfs/dbraw/zinc/03/06/60/1360030660.db2.gz WAVVYEAELYGIKG-UZLBHIALSA-N 2 1 348.450 3.036 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2csc(C)c2)[C@@H]1C ZINC001089060806 1360153035 /nfs/dbraw/zinc/15/30/35/1360153035.db2.gz HOYQUYIOXBVZLR-NJAFHUGGSA-N 2 1 349.544 3.010 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2csc(C)c2)[C@@H]1C ZINC001089060806 1360153036 /nfs/dbraw/zinc/15/30/36/1360153036.db2.gz HOYQUYIOXBVZLR-NJAFHUGGSA-N 2 1 349.544 3.010 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2csc(C)c2)[C@@H]1C ZINC001089060806 1360153040 /nfs/dbraw/zinc/15/30/40/1360153040.db2.gz HOYQUYIOXBVZLR-NJAFHUGGSA-N 2 1 349.544 3.010 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CC2)cc1 ZINC001089239927 1360276715 /nfs/dbraw/zinc/27/67/15/1360276715.db2.gz BGYRDBSEOGHVEQ-FQEVSTJZSA-N 2 1 343.515 3.085 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCC2)CC(C)(C)C1 ZINC001089333636 1360347357 /nfs/dbraw/zinc/34/73/57/1360347357.db2.gz BMNJSPFOWBXHNK-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)CC(C)(C)C1 ZINC001089333636 1360347361 /nfs/dbraw/zinc/34/73/61/1360347361.db2.gz BMNJSPFOWBXHNK-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)CC(C)(C)C1 ZINC001089333636 1360347364 /nfs/dbraw/zinc/34/73/64/1360347364.db2.gz BMNJSPFOWBXHNK-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2=CCCCC2)CC(C)(C)C1 ZINC001089336507 1360349990 /nfs/dbraw/zinc/34/99/90/1360349990.db2.gz UWMFXISACYMELD-MOPGFXCFSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2=CCCCC2)CC(C)(C)C1 ZINC001089336507 1360349993 /nfs/dbraw/zinc/34/99/93/1360349993.db2.gz UWMFXISACYMELD-MOPGFXCFSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)CC(C)(C)C1 ZINC001089336507 1360349996 /nfs/dbraw/zinc/34/99/96/1360349996.db2.gz UWMFXISACYMELD-MOPGFXCFSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCC3)CC(C)(C)C2)CC[N@H+]1C ZINC001089391838 1360392512 /nfs/dbraw/zinc/39/25/12/1360392512.db2.gz PWFPESQQRCVBEF-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CCC3)CC(C)(C)C2)CC[NH+]1C ZINC001089391838 1360392516 /nfs/dbraw/zinc/39/25/16/1360392516.db2.gz PWFPESQQRCVBEF-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CCC3)CC(C)(C)C2)CC[NH+]1C ZINC001089391838 1360392519 /nfs/dbraw/zinc/39/25/19/1360392519.db2.gz PWFPESQQRCVBEF-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089429702 1360421617 /nfs/dbraw/zinc/42/16/17/1360421617.db2.gz DTURPGUIWGTVGR-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089441598 1360431649 /nfs/dbraw/zinc/43/16/49/1360431649.db2.gz IVVGWIKQBCVSHR-GOSISDBHSA-N 2 1 348.535 3.235 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089441598 1360431652 /nfs/dbraw/zinc/43/16/52/1360431652.db2.gz IVVGWIKQBCVSHR-GOSISDBHSA-N 2 1 348.535 3.235 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089477027 1360459569 /nfs/dbraw/zinc/45/95/69/1360459569.db2.gz JREQRXWLOLTTTH-KRWDZBQOSA-N 2 1 349.519 3.362 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089488141 1360467827 /nfs/dbraw/zinc/46/78/27/1360467827.db2.gz REJIBEGJKKCZMJ-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089488141 1360467828 /nfs/dbraw/zinc/46/78/28/1360467828.db2.gz REJIBEGJKKCZMJ-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089488141 1360467830 /nfs/dbraw/zinc/46/78/30/1360467830.db2.gz REJIBEGJKKCZMJ-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](CC2CCCC2)CC(C)(C)C1 ZINC001089492351 1360470157 /nfs/dbraw/zinc/47/01/57/1360470157.db2.gz HHWQINPZUYQSHV-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)CC(C)(C)C1 ZINC001089492351 1360470159 /nfs/dbraw/zinc/47/01/59/1360470159.db2.gz HHWQINPZUYQSHV-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)CC(C)(C)C1 ZINC001089492351 1360470160 /nfs/dbraw/zinc/47/01/60/1360470160.db2.gz HHWQINPZUYQSHV-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509040 1360480769 /nfs/dbraw/zinc/48/07/69/1360480769.db2.gz DELLLDRFQICXKP-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089511805 1360483425 /nfs/dbraw/zinc/48/34/25/1360483425.db2.gz VVYJHCBEVDKXRQ-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089511805 1360483427 /nfs/dbraw/zinc/48/34/27/1360483427.db2.gz VVYJHCBEVDKXRQ-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089511805 1360483430 /nfs/dbraw/zinc/48/34/30/1360483430.db2.gz VVYJHCBEVDKXRQ-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)CC(C)(C)C2)CC1 ZINC001089534046 1360493669 /nfs/dbraw/zinc/49/36/69/1360493669.db2.gz NGYXAQKROVIPFX-LJQANCHMSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089564869 1360511566 /nfs/dbraw/zinc/51/15/66/1360511566.db2.gz KGZBXTDAJYEUDK-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001089564869 1360511567 /nfs/dbraw/zinc/51/15/67/1360511567.db2.gz KGZBXTDAJYEUDK-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1 ZINC001089564869 1360511570 /nfs/dbraw/zinc/51/15/70/1360511570.db2.gz KGZBXTDAJYEUDK-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089662841 1360573265 /nfs/dbraw/zinc/57/32/65/1360573265.db2.gz GKEULCREWHWIBE-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001089662841 1360573268 /nfs/dbraw/zinc/57/32/68/1360573268.db2.gz GKEULCREWHWIBE-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001089662841 1360573269 /nfs/dbraw/zinc/57/32/69/1360573269.db2.gz GKEULCREWHWIBE-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC1(C)CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[N@@H+](CC2CCC2)C1 ZINC001089665475 1360575798 /nfs/dbraw/zinc/57/57/98/1360575798.db2.gz XKCMGXZTMZSSCM-SFHVURJKSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001089684185 1360589331 /nfs/dbraw/zinc/58/93/31/1360589331.db2.gz NINKUNUGZFBJTI-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CCC)C1 ZINC001089684185 1360589335 /nfs/dbraw/zinc/58/93/35/1360589335.db2.gz NINKUNUGZFBJTI-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CCC)C1 ZINC001089684185 1360589336 /nfs/dbraw/zinc/58/93/36/1360589336.db2.gz NINKUNUGZFBJTI-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP O=C(NCC1CC([NH2+]CC2CCC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001091199619 1361004961 /nfs/dbraw/zinc/00/49/61/1361004961.db2.gz SLYZUPKBDREZMT-QLOJAFMTSA-N 2 1 347.547 3.068 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001480973959 1393059206 /nfs/dbraw/zinc/05/92/06/1393059206.db2.gz BYGVDRBVUXVFBJ-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCCC(C)(C)C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001480973959 1393059211 /nfs/dbraw/zinc/05/92/11/1393059211.db2.gz BYGVDRBVUXVFBJ-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCCC(C)(C)C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001480973959 1393059216 /nfs/dbraw/zinc/05/92/16/1393059216.db2.gz BYGVDRBVUXVFBJ-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091672140 1361176977 /nfs/dbraw/zinc/17/69/77/1361176977.db2.gz ILLBRAVCAOVJHG-OPYAIIAOSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCC3CCCCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001092022323 1361275778 /nfs/dbraw/zinc/27/57/78/1361275778.db2.gz SJVRGERKXYKAHN-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC001092650679 1361432085 /nfs/dbraw/zinc/43/20/85/1361432085.db2.gz KFGPWPPAMIJJBF-NVXWUHKLSA-N 2 1 349.544 3.074 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1C ZINC001184712308 1387516833 /nfs/dbraw/zinc/51/68/33/1387516833.db2.gz LVWHCUMQBKGODO-ROUUACIJSA-N 2 1 339.568 3.371 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413375 1361790521 /nfs/dbraw/zinc/79/05/21/1361790521.db2.gz CRFGMNVORAAHHZ-NLWGTHIKSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094413375 1361790522 /nfs/dbraw/zinc/79/05/22/1361790522.db2.gz CRFGMNVORAAHHZ-NLWGTHIKSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094413375 1361790527 /nfs/dbraw/zinc/79/05/27/1361790527.db2.gz CRFGMNVORAAHHZ-NLWGTHIKSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC001094537127 1361849480 /nfs/dbraw/zinc/84/94/80/1361849480.db2.gz MRNMNAAGOKARPQ-TZIWHRDSSA-N 2 1 343.515 3.133 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001095417157 1362133617 /nfs/dbraw/zinc/13/36/17/1362133617.db2.gz ILKZKQVROFWDCS-LMCOJAPRSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001095417157 1362133622 /nfs/dbraw/zinc/13/36/22/1362133622.db2.gz ILKZKQVROFWDCS-LMCOJAPRSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001095417157 1362133624 /nfs/dbraw/zinc/13/36/24/1362133624.db2.gz ILKZKQVROFWDCS-LMCOJAPRSA-N 2 1 347.547 3.163 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001095694901 1362203402 /nfs/dbraw/zinc/20/34/02/1362203402.db2.gz DDNOETPFJFRZRU-NEWSRXKRSA-N 2 1 340.471 3.106 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001095767378 1362223767 /nfs/dbraw/zinc/22/37/67/1362223767.db2.gz ASCAJMZACSUTFX-NEWSRXKRSA-N 2 1 340.471 3.106 20 0 EGADMP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001095931918 1362292410 /nfs/dbraw/zinc/29/24/10/1362292410.db2.gz VHUXPKCSGZUYRA-SQNIBIBYSA-N 2 1 347.503 3.113 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001095931918 1362292415 /nfs/dbraw/zinc/29/24/15/1362292415.db2.gz VHUXPKCSGZUYRA-SQNIBIBYSA-N 2 1 347.503 3.113 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001096168690 1362411742 /nfs/dbraw/zinc/41/17/42/1362411742.db2.gz MAZZYCJMCGGCOY-AABGKKOBSA-N 2 1 343.515 3.129 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)C ZINC001096314270 1362460643 /nfs/dbraw/zinc/46/06/43/1362460643.db2.gz APZFUJAWGHGCEW-FUMNGEBKSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)C ZINC001096314270 1362460646 /nfs/dbraw/zinc/46/06/46/1362460646.db2.gz APZFUJAWGHGCEW-FUMNGEBKSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001096314270 1362460649 /nfs/dbraw/zinc/46/06/49/1362460649.db2.gz APZFUJAWGHGCEW-FUMNGEBKSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001097062981 1362829267 /nfs/dbraw/zinc/82/92/67/1362829267.db2.gz APKFZAWZOKDPDY-ZRNYENFQSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001097062981 1362829271 /nfs/dbraw/zinc/82/92/71/1362829271.db2.gz APKFZAWZOKDPDY-ZRNYENFQSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001097062981 1362829272 /nfs/dbraw/zinc/82/92/72/1362829272.db2.gz APKFZAWZOKDPDY-ZRNYENFQSA-N 2 1 347.547 3.161 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001097395691 1362970514 /nfs/dbraw/zinc/97/05/14/1362970514.db2.gz VEVRRVGBXXHELG-LRHNDGHRSA-N 2 1 340.471 3.024 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001097848248 1363140924 /nfs/dbraw/zinc/14/09/24/1363140924.db2.gz NUELPHXHERMOSH-AFYVEPGGSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001097848248 1363140929 /nfs/dbraw/zinc/14/09/29/1363140929.db2.gz NUELPHXHERMOSH-AFYVEPGGSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001097848248 1363140935 /nfs/dbraw/zinc/14/09/35/1363140935.db2.gz NUELPHXHERMOSH-AFYVEPGGSA-N 2 1 347.547 3.163 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001098464135 1363332845 /nfs/dbraw/zinc/33/28/45/1363332845.db2.gz NKTRIMBQXZIPKU-AKHDSKFASA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001098464135 1363332846 /nfs/dbraw/zinc/33/28/46/1363332846.db2.gz NKTRIMBQXZIPKU-AKHDSKFASA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001098464135 1363332847 /nfs/dbraw/zinc/33/28/47/1363332847.db2.gz NKTRIMBQXZIPKU-AKHDSKFASA-N 2 1 335.536 3.019 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC001324458203 1387629758 /nfs/dbraw/zinc/62/97/58/1387629758.db2.gz XSWVEXUGJPATNZ-SJORKVTESA-N 2 1 348.560 3.358 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099116352 1363632172 /nfs/dbraw/zinc/63/21/72/1363632172.db2.gz QYDBWTDQHYYARH-MSOLQXFVSA-N 2 1 339.568 3.370 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCCC1 ZINC001099198805 1363688056 /nfs/dbraw/zinc/68/80/56/1363688056.db2.gz FOGDNBLXOFULEF-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001099252308 1363715145 /nfs/dbraw/zinc/71/51/45/1363715145.db2.gz UMNBORJHOWRJOP-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001099311281 1363744481 /nfs/dbraw/zinc/74/44/81/1363744481.db2.gz ZNSGCZFUDJMMIM-GOSISDBHSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001099321300 1363749357 /nfs/dbraw/zinc/74/93/57/1363749357.db2.gz TTZVENYVLZHKDA-SFHVURJKSA-N 2 1 337.552 3.291 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC=C(C)C ZINC001099321300 1363749361 /nfs/dbraw/zinc/74/93/61/1363749361.db2.gz TTZVENYVLZHKDA-SFHVURJKSA-N 2 1 337.552 3.291 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC=C(C)C ZINC001099321300 1363749363 /nfs/dbraw/zinc/74/93/63/1363749363.db2.gz TTZVENYVLZHKDA-SFHVURJKSA-N 2 1 337.552 3.291 20 0 EGADMP CCCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001099335502 1363756716 /nfs/dbraw/zinc/75/67/16/1363756716.db2.gz WWJQVHNWPCLBJK-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001099335502 1363756720 /nfs/dbraw/zinc/75/67/20/1363756720.db2.gz WWJQVHNWPCLBJK-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001099335502 1363756724 /nfs/dbraw/zinc/75/67/24/1363756724.db2.gz WWJQVHNWPCLBJK-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099340302 1363760942 /nfs/dbraw/zinc/76/09/42/1363760942.db2.gz REPOZZFYHKWNRS-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099355250 1363769161 /nfs/dbraw/zinc/76/91/61/1363769161.db2.gz ZIBLJPUBHPUONE-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C\CC[NH2+]C1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001100346189 1364086610 /nfs/dbraw/zinc/08/66/10/1364086610.db2.gz VVJRTVMPTOXINV-GGYSWZEMSA-N 2 1 346.519 3.237 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001100383298 1364097615 /nfs/dbraw/zinc/09/76/15/1364097615.db2.gz UREKSUOSIMWAAQ-OLFFVLKBSA-N 2 1 335.536 3.092 20 0 EGADMP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001100470813 1364126965 /nfs/dbraw/zinc/12/69/65/1364126965.db2.gz CCKZXNMVQRLYAH-CTWPCTMYSA-N 2 1 337.552 3.027 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCC(C)C)C[C@@]2(C)C1 ZINC001101257576 1364488733 /nfs/dbraw/zinc/48/87/33/1364488733.db2.gz AYBAVUXVPWMJNH-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCCC(C)C)C[C@@]2(C)C1 ZINC001101257576 1364488735 /nfs/dbraw/zinc/48/87/35/1364488735.db2.gz AYBAVUXVPWMJNH-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCCC(C)C)C[C@@]2(C)C1 ZINC001101257576 1364488738 /nfs/dbraw/zinc/48/87/38/1364488738.db2.gz AYBAVUXVPWMJNH-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@@H+](CCCC(C)(C)C)C[C@@]3(C)C2)CCC1 ZINC001101267672 1364491992 /nfs/dbraw/zinc/49/19/92/1364491992.db2.gz ONFWLCDKNXTAHU-XLIONFOSSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101320616 1364508571 /nfs/dbraw/zinc/50/85/71/1364508571.db2.gz QJHJFQOBSKQIAX-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCCC3CCC3)C[C@@]2(C)C1 ZINC001101441010 1364565390 /nfs/dbraw/zinc/56/53/90/1364565390.db2.gz GUVXCUTULFJZMP-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCCC3CCC3)C[C@@]2(C)C1 ZINC001101441010 1364565396 /nfs/dbraw/zinc/56/53/96/1364565396.db2.gz GUVXCUTULFJZMP-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CCCC3CCC3)C[C@@]2(C)C1 ZINC001101441010 1364565397 /nfs/dbraw/zinc/56/53/97/1364565397.db2.gz GUVXCUTULFJZMP-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@@H+](CC(=O)N1CCC(C(C)(C)C[NH2+]CC2CCC2)CC1)C1CCC1 ZINC001101547782 1364611760 /nfs/dbraw/zinc/61/17/60/1364611760.db2.gz PGJCAWPSRJDLGW-UHFFFAOYSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001101555714 1364616963 /nfs/dbraw/zinc/61/69/63/1364616963.db2.gz DZIAKHUAXWACKF-INIZCTEOSA-N 2 1 348.535 3.092 20 0 EGADMP CC[C@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001101595575 1364646267 /nfs/dbraw/zinc/64/62/67/1364646267.db2.gz ISBPLKCMXITPGI-INIZCTEOSA-N 2 1 348.535 3.092 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001102466414 1365071077 /nfs/dbraw/zinc/07/10/77/1365071077.db2.gz NPHBIHRHEJMISY-YLJYHZDGSA-N 2 1 345.531 3.236 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001103060549 1365359262 /nfs/dbraw/zinc/35/92/62/1365359262.db2.gz RWPCESVYGVVRQV-VJQBDMSCSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001103060549 1365359264 /nfs/dbraw/zinc/35/92/64/1365359264.db2.gz RWPCESVYGVVRQV-VJQBDMSCSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001103060549 1365359268 /nfs/dbraw/zinc/35/92/68/1365359268.db2.gz RWPCESVYGVVRQV-VJQBDMSCSA-N 2 1 349.563 3.291 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001103086409 1365373708 /nfs/dbraw/zinc/37/37/08/1365373708.db2.gz APJQDDDUHWBHFX-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001103086409 1365373712 /nfs/dbraw/zinc/37/37/12/1365373712.db2.gz APJQDDDUHWBHFX-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001103086409 1365373713 /nfs/dbraw/zinc/37/37/13/1365373713.db2.gz APJQDDDUHWBHFX-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103090392 1365376303 /nfs/dbraw/zinc/37/63/03/1365376303.db2.gz UAUKAAAUSAIBHX-PWBPZBFBSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001103090392 1365376306 /nfs/dbraw/zinc/37/63/06/1365376306.db2.gz UAUKAAAUSAIBHX-PWBPZBFBSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001103090392 1365376309 /nfs/dbraw/zinc/37/63/09/1365376309.db2.gz UAUKAAAUSAIBHX-PWBPZBFBSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C)[NH+](C)C ZINC001103140356 1365403733 /nfs/dbraw/zinc/40/37/33/1365403733.db2.gz ZZJBJVVJGDEDTG-MISYRCLQSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103147839 1365409475 /nfs/dbraw/zinc/40/94/75/1365409475.db2.gz CCZUQUUTBJIYAL-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001103147839 1365409478 /nfs/dbraw/zinc/40/94/78/1365409478.db2.gz CCZUQUUTBJIYAL-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001103147839 1365409481 /nfs/dbraw/zinc/40/94/81/1365409481.db2.gz CCZUQUUTBJIYAL-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC001185550183 1387745794 /nfs/dbraw/zinc/74/57/94/1387745794.db2.gz TZECZZDWUODHDN-ICSRJNTNSA-N 2 1 349.563 3.293 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103612736 1365675891 /nfs/dbraw/zinc/67/58/91/1365675891.db2.gz RUXPFOFOFNTSCE-FAPWYTRCSA-N 2 1 337.552 3.149 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001103612736 1365675893 /nfs/dbraw/zinc/67/58/93/1365675893.db2.gz RUXPFOFOFNTSCE-FAPWYTRCSA-N 2 1 337.552 3.149 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001103612736 1365675895 /nfs/dbraw/zinc/67/58/95/1365675895.db2.gz RUXPFOFOFNTSCE-FAPWYTRCSA-N 2 1 337.552 3.149 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001103756871 1365766965 /nfs/dbraw/zinc/76/69/65/1365766965.db2.gz DUVGOETVXFFMCC-AHSYYPKJSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001103756871 1365766968 /nfs/dbraw/zinc/76/69/68/1365766968.db2.gz DUVGOETVXFFMCC-AHSYYPKJSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001103756871 1365766971 /nfs/dbraw/zinc/76/69/71/1365766971.db2.gz DUVGOETVXFFMCC-AHSYYPKJSA-N 2 1 349.563 3.291 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001103757047 1365767107 /nfs/dbraw/zinc/76/71/07/1365767107.db2.gz KEHRSJYRYYRJNN-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001103757047 1365767108 /nfs/dbraw/zinc/76/71/08/1365767108.db2.gz KEHRSJYRYYRJNN-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001103757047 1365767110 /nfs/dbraw/zinc/76/71/10/1365767110.db2.gz KEHRSJYRYYRJNN-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105396712 1366445015 /nfs/dbraw/zinc/44/50/15/1366445015.db2.gz SXDIEQCBIBLKEF-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105572284 1366538446 /nfs/dbraw/zinc/53/84/46/1366538446.db2.gz NKJZVXOWXHCFAI-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC=C(C)C)CCC1 ZINC001105575309 1366540422 /nfs/dbraw/zinc/54/04/22/1366540422.db2.gz YFKMKAXWZRVCKG-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106249286 1366633628 /nfs/dbraw/zinc/63/36/28/1366633628.db2.gz FVNWESOMOQZSNV-AHSYYPKJSA-N 2 1 349.563 3.290 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106249406 1366633844 /nfs/dbraw/zinc/63/38/44/1366633844.db2.gz GMVQWQSOUJFWMD-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107412269 1366956479 /nfs/dbraw/zinc/95/64/79/1366956479.db2.gz QPDXHWCVFZBLNK-ANTGDGSKSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107412269 1366956481 /nfs/dbraw/zinc/95/64/81/1366956481.db2.gz QPDXHWCVFZBLNK-ANTGDGSKSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107412269 1366956482 /nfs/dbraw/zinc/95/64/82/1366956482.db2.gz QPDXHWCVFZBLNK-ANTGDGSKSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436859 1366962861 /nfs/dbraw/zinc/96/28/61/1366962861.db2.gz VCSKENKZLARGCH-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2)[NH+](CC)CC ZINC001107544130 1367034917 /nfs/dbraw/zinc/03/49/17/1367034917.db2.gz NOTNIMMCRMRPQJ-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107563905 1367046243 /nfs/dbraw/zinc/04/62/43/1367046243.db2.gz AMYCJTYBPNQYDE-YLJYHZDGSA-N 2 1 346.519 3.167 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107563905 1367046248 /nfs/dbraw/zinc/04/62/48/1367046248.db2.gz AMYCJTYBPNQYDE-YLJYHZDGSA-N 2 1 346.519 3.167 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(C)C ZINC001109308052 1367047721 /nfs/dbraw/zinc/04/77/21/1367047721.db2.gz MQTYTUDDXFNOPK-BDXSIMOUSA-N 2 1 344.503 3.084 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001109308052 1367047725 /nfs/dbraw/zinc/04/77/25/1367047725.db2.gz MQTYTUDDXFNOPK-BDXSIMOUSA-N 2 1 344.503 3.084 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107567753 1367048438 /nfs/dbraw/zinc/04/84/38/1367048438.db2.gz ITCKICILVMPPMQ-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107614722 1367073996 /nfs/dbraw/zinc/07/39/96/1367073996.db2.gz KFGLHEKELYTNKP-KFHCLJRTSA-N 2 1 349.563 3.435 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CCC)CCC[C@@H]12 ZINC001107614722 1367074001 /nfs/dbraw/zinc/07/40/01/1367074001.db2.gz KFGLHEKELYTNKP-KFHCLJRTSA-N 2 1 349.563 3.435 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)CCC)CCC[C@@H]12 ZINC001107614722 1367074004 /nfs/dbraw/zinc/07/40/04/1367074004.db2.gz KFGLHEKELYTNKP-KFHCLJRTSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2 ZINC001107646881 1367092497 /nfs/dbraw/zinc/09/24/97/1367092497.db2.gz ZUUFSWVTRROUIV-YLJYHZDGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)(C)C)CC2 ZINC001107646881 1367092505 /nfs/dbraw/zinc/09/25/05/1367092505.db2.gz ZUUFSWVTRROUIV-YLJYHZDGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)(C)C)CC2 ZINC001107646881 1367092510 /nfs/dbraw/zinc/09/25/10/1367092510.db2.gz ZUUFSWVTRROUIV-YLJYHZDGSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001109419635 1367113042 /nfs/dbraw/zinc/11/30/42/1367113042.db2.gz YDGGLVHNKIOJRP-YRPNKDGESA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001109419635 1367113046 /nfs/dbraw/zinc/11/30/46/1367113046.db2.gz YDGGLVHNKIOJRP-YRPNKDGESA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001109419635 1367113049 /nfs/dbraw/zinc/11/30/49/1367113049.db2.gz YDGGLVHNKIOJRP-YRPNKDGESA-N 2 1 347.547 3.163 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCC3=CCCCC3)C[C@H]21 ZINC001189913678 1367130052 /nfs/dbraw/zinc/13/00/52/1367130052.db2.gz VPCIEFFPAWVWQS-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21 ZINC001189913678 1367130056 /nfs/dbraw/zinc/13/00/56/1367130056.db2.gz VPCIEFFPAWVWQS-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21 ZINC001189913678 1367130059 /nfs/dbraw/zinc/13/00/59/1367130059.db2.gz VPCIEFFPAWVWQS-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP C[N@@H+](CCCC1CCC1)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190178909 1367192166 /nfs/dbraw/zinc/19/21/66/1367192166.db2.gz XLCDHNPSVRFUNH-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190178138 1367192571 /nfs/dbraw/zinc/19/25/71/1367192571.db2.gz TXOKFQSUZHUSDT-QUCCMNQESA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190178138 1367192575 /nfs/dbraw/zinc/19/25/75/1367192575.db2.gz TXOKFQSUZHUSDT-QUCCMNQESA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190178138 1367192579 /nfs/dbraw/zinc/19/25/79/1367192579.db2.gz TXOKFQSUZHUSDT-QUCCMNQESA-N 2 1 347.547 3.140 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001109653814 1367265691 /nfs/dbraw/zinc/26/56/91/1367265691.db2.gz IGMSXYSYSTWCJI-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656844 1367319995 /nfs/dbraw/zinc/31/99/95/1367319995.db2.gz WXWBFZNFHLKVPL-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190656844 1367320001 /nfs/dbraw/zinc/32/00/01/1367320001.db2.gz WXWBFZNFHLKVPL-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190656844 1367320004 /nfs/dbraw/zinc/32/00/04/1367320004.db2.gz WXWBFZNFHLKVPL-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001190996472 1367398614 /nfs/dbraw/zinc/39/86/14/1367398614.db2.gz FTFBTGLCQSWVNS-HOTGVXAUSA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001190996472 1367398619 /nfs/dbraw/zinc/39/86/19/1367398619.db2.gz FTFBTGLCQSWVNS-HOTGVXAUSA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001190996472 1367398625 /nfs/dbraw/zinc/39/86/25/1367398625.db2.gz FTFBTGLCQSWVNS-HOTGVXAUSA-N 2 1 349.494 3.150 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001190997114 1367399145 /nfs/dbraw/zinc/39/91/45/1367399145.db2.gz QZSWHINDFPPEAD-AEFFLSMTSA-N 2 1 331.504 3.011 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2ccccc2)C1 ZINC001190997114 1367399148 /nfs/dbraw/zinc/39/91/48/1367399148.db2.gz QZSWHINDFPPEAD-AEFFLSMTSA-N 2 1 331.504 3.011 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2ccccc2)C1 ZINC001190997114 1367399153 /nfs/dbraw/zinc/39/91/53/1367399153.db2.gz QZSWHINDFPPEAD-AEFFLSMTSA-N 2 1 331.504 3.011 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)Cc2c(C)cccc2C)C1 ZINC001191020628 1367403762 /nfs/dbraw/zinc/40/37/62/1367403762.db2.gz ZCYWAWULHPOYNL-GOSISDBHSA-N 2 1 345.531 3.066 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2c(C)cccc2C)C1 ZINC001191020628 1367403763 /nfs/dbraw/zinc/40/37/63/1367403763.db2.gz ZCYWAWULHPOYNL-GOSISDBHSA-N 2 1 345.531 3.066 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2c(C)cccc2C)C1 ZINC001191020628 1367403766 /nfs/dbraw/zinc/40/37/66/1367403766.db2.gz ZCYWAWULHPOYNL-GOSISDBHSA-N 2 1 345.531 3.066 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162279 1367437011 /nfs/dbraw/zinc/43/70/11/1367437011.db2.gz NZNWOFRIQNTBDV-QGZVFWFLSA-N 2 1 328.460 3.061 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110114883 1367507695 /nfs/dbraw/zinc/50/76/95/1367507695.db2.gz MBBBKIRAQVPFIX-RDGPPVDQSA-N 2 1 335.536 3.020 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191543803 1367525496 /nfs/dbraw/zinc/52/54/96/1367525496.db2.gz SVPBYDXLJHNFGM-GHOSXJJBSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191560854 1367528866 /nfs/dbraw/zinc/52/88/66/1367528866.db2.gz IMANFELHKSUKSD-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161773 1367534906 /nfs/dbraw/zinc/53/49/06/1367534906.db2.gz SJJUBOYRRNPUOW-FUMNGEBKSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001108770700 1367587113 /nfs/dbraw/zinc/58/71/13/1367587113.db2.gz UDXAQNIAPJXISA-BZSNNMDCSA-N 2 1 346.519 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH+](C)CCCC(C)C)C2)C1 ZINC001191921414 1367640044 /nfs/dbraw/zinc/64/00/44/1367640044.db2.gz CKHCYZIEYCEDBG-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCCC(C)C)C2)C1 ZINC001191921414 1367640047 /nfs/dbraw/zinc/64/00/47/1367640047.db2.gz CKHCYZIEYCEDBG-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCCC(C)C)C2)C1 ZINC001191921414 1367640052 /nfs/dbraw/zinc/64/00/52/1367640052.db2.gz CKHCYZIEYCEDBG-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191948153 1367646387 /nfs/dbraw/zinc/64/63/87/1367646387.db2.gz MDCGCTSZEBMSSE-RTBURBONSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191948153 1367646390 /nfs/dbraw/zinc/64/63/90/1367646390.db2.gz MDCGCTSZEBMSSE-RTBURBONSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191948153 1367646397 /nfs/dbraw/zinc/64/63/97/1367646397.db2.gz MDCGCTSZEBMSSE-RTBURBONSA-N 2 1 335.536 3.116 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C1)[NH+](CC)CC ZINC001192317690 1367748120 /nfs/dbraw/zinc/74/81/20/1367748120.db2.gz ULZHHRHMQVPHEY-MOPGFXCFSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110566112 1367837398 /nfs/dbraw/zinc/83/73/98/1367837398.db2.gz ZJGBFPNDEXLWPN-AXTJNSDUSA-N 2 1 347.547 3.329 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192655614 1367843944 /nfs/dbraw/zinc/84/39/44/1367843944.db2.gz NAQOUPPLWBXXMN-MJGOQNOKSA-N 2 1 337.552 3.220 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001192866386 1367892125 /nfs/dbraw/zinc/89/21/25/1367892125.db2.gz KEVQGEAKPAQCHJ-LJQANCHMSA-N 2 1 344.503 3.005 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001192866386 1367892129 /nfs/dbraw/zinc/89/21/29/1367892129.db2.gz KEVQGEAKPAQCHJ-LJQANCHMSA-N 2 1 344.503 3.005 20 0 EGADMP CC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001192906525 1367901287 /nfs/dbraw/zinc/90/12/87/1367901287.db2.gz MJSFOQUJUFFVNU-LHUXKHBRSA-N 2 1 337.552 3.388 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192906525 1367901291 /nfs/dbraw/zinc/90/12/91/1367901291.db2.gz MJSFOQUJUFFVNU-LHUXKHBRSA-N 2 1 337.552 3.388 20 0 EGADMP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192906525 1367901297 /nfs/dbraw/zinc/90/12/97/1367901297.db2.gz MJSFOQUJUFFVNU-LHUXKHBRSA-N 2 1 337.552 3.388 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001110738708 1367955233 /nfs/dbraw/zinc/95/52/33/1367955233.db2.gz PLKBOIWZYXYADE-KURKYZTESA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001110738708 1367955239 /nfs/dbraw/zinc/95/52/39/1367955239.db2.gz PLKBOIWZYXYADE-KURKYZTESA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001110738708 1367955245 /nfs/dbraw/zinc/95/52/45/1367955245.db2.gz PLKBOIWZYXYADE-KURKYZTESA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110748684 1367959001 /nfs/dbraw/zinc/95/90/01/1367959001.db2.gz OEWRGJOXTOCCSD-OWYHZJEWSA-N 2 1 349.563 3.407 20 0 EGADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001110748684 1367959002 /nfs/dbraw/zinc/95/90/02/1367959002.db2.gz OEWRGJOXTOCCSD-OWYHZJEWSA-N 2 1 349.563 3.407 20 0 EGADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001110748684 1367959003 /nfs/dbraw/zinc/95/90/03/1367959003.db2.gz OEWRGJOXTOCCSD-OWYHZJEWSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001110765756 1367967952 /nfs/dbraw/zinc/96/79/52/1367967952.db2.gz OKEOPFJBPLBJOR-MKXGPGLRSA-N 2 1 347.547 3.019 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280756 1367989289 /nfs/dbraw/zinc/98/92/89/1367989289.db2.gz XPGBQKLAODASJX-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193280756 1367989294 /nfs/dbraw/zinc/98/92/94/1367989294.db2.gz XPGBQKLAODASJX-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193280756 1367989298 /nfs/dbraw/zinc/98/92/98/1367989298.db2.gz XPGBQKLAODASJX-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CCC2CCCCCC2)C1 ZINC001193289938 1367990495 /nfs/dbraw/zinc/99/04/95/1367990495.db2.gz BZKBMFMIRQFHJV-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CCC2CCCCCC2)C1 ZINC001193289938 1367990499 /nfs/dbraw/zinc/99/04/99/1367990499.db2.gz BZKBMFMIRQFHJV-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCCCC2)C1 ZINC001193289938 1367990505 /nfs/dbraw/zinc/99/05/05/1367990505.db2.gz BZKBMFMIRQFHJV-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424910 1368027300 /nfs/dbraw/zinc/02/73/00/1368027300.db2.gz RDYDCGMVACXXDD-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424910 1368027310 /nfs/dbraw/zinc/02/73/10/1368027310.db2.gz RDYDCGMVACXXDD-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193424910 1368027313 /nfs/dbraw/zinc/02/73/13/1368027313.db2.gz RDYDCGMVACXXDD-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558917 1368061180 /nfs/dbraw/zinc/06/11/80/1368061180.db2.gz FGLNQAIFCDXBKP-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571553 1368064096 /nfs/dbraw/zinc/06/40/96/1368064096.db2.gz TZJBECUZECLDJI-RBUKOAKNSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC2CCC(C)CC2)C1 ZINC001193600279 1368069511 /nfs/dbraw/zinc/06/95/11/1368069511.db2.gz BPQYTEAXQGXTBJ-ACBHZAAOSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC2CCC(C)CC2)C1 ZINC001193600279 1368069517 /nfs/dbraw/zinc/06/95/17/1368069517.db2.gz BPQYTEAXQGXTBJ-ACBHZAAOSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC2CCC(C)CC2)C1 ZINC001193600279 1368069521 /nfs/dbraw/zinc/06/95/21/1368069521.db2.gz BPQYTEAXQGXTBJ-ACBHZAAOSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959131 1368124748 /nfs/dbraw/zinc/12/47/48/1368124748.db2.gz FKKGVYWYDYQMRB-LFGUQSLTSA-N 2 1 343.515 3.119 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C)[NH+](C)C ZINC001110994329 1368137393 /nfs/dbraw/zinc/13/73/93/1368137393.db2.gz YSKWUNXKFUVIFP-ZJPYXAASSA-N 2 1 337.552 3.120 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001111017882 1368144013 /nfs/dbraw/zinc/14/40/13/1368144013.db2.gz FPUSKJCIOCCAGH-MKXGPGLRSA-N 2 1 337.552 3.409 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C)C(C)C ZINC001111164016 1368174007 /nfs/dbraw/zinc/17/40/07/1368174007.db2.gz FANSBDUDUFFZRX-AKHDSKFASA-N 2 1 335.536 3.041 20 0 EGADMP C[N@@H+](CC1=CCCCC1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194072191 1368178399 /nfs/dbraw/zinc/17/83/99/1368178399.db2.gz NWACILNWVFKSJF-HXUWFJFHSA-N 2 1 347.547 3.286 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081821 1368179764 /nfs/dbraw/zinc/17/97/64/1368179764.db2.gz XNCSESJTLMGRSY-HMECNJMJSA-N 2 1 335.536 3.142 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111217349 1368195745 /nfs/dbraw/zinc/19/57/45/1368195745.db2.gz SYNHFVSRVNKDAD-BNLAEDIXSA-N 2 1 347.547 3.185 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227607 1368212697 /nfs/dbraw/zinc/21/26/97/1368212697.db2.gz LHUHCUDYUWWYPS-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194274178 1368221617 /nfs/dbraw/zinc/22/16/17/1368221617.db2.gz DIIXCWIIPKGFMX-GLCUZYPYSA-N 2 1 349.563 3.386 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194406965 1368254395 /nfs/dbraw/zinc/25/43/95/1368254395.db2.gz FEEKAXZCXUPODG-IAGOWNOFSA-N 2 1 349.519 3.314 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1)[NH+]1CCCCC1 ZINC001111463468 1368312048 /nfs/dbraw/zinc/31/20/48/1368312048.db2.gz SHMWKZPXNWESBB-ZRNYENFQSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[C@@H](C)C1 ZINC001195179725 1368395166 /nfs/dbraw/zinc/39/51/66/1368395166.db2.gz PFKLDWDYOVNDSD-ZFMNYDKASA-N 2 1 330.516 3.428 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[C@@H](C)C1 ZINC001195179725 1368395172 /nfs/dbraw/zinc/39/51/72/1368395172.db2.gz PFKLDWDYOVNDSD-ZFMNYDKASA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111854545 1368507024 /nfs/dbraw/zinc/50/70/24/1368507024.db2.gz RAXPPHMPQGTCOY-CUWPLCDZSA-N 2 1 343.515 3.060 20 0 EGADMP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001111903764 1368547413 /nfs/dbraw/zinc/54/74/13/1368547413.db2.gz OOFGTOHQPRHSNV-ICSRJNTNSA-N 2 1 346.519 3.133 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001111903764 1368547420 /nfs/dbraw/zinc/54/74/20/1368547420.db2.gz OOFGTOHQPRHSNV-ICSRJNTNSA-N 2 1 346.519 3.133 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CCCC1)C2 ZINC001111950804 1368571599 /nfs/dbraw/zinc/57/15/99/1368571599.db2.gz BCZMLMBZDKRCAG-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1CCCC1)C2 ZINC001111950804 1368571602 /nfs/dbraw/zinc/57/16/02/1368571602.db2.gz BCZMLMBZDKRCAG-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1CCCC1)C2 ZINC001111950804 1368571603 /nfs/dbraw/zinc/57/16/03/1368571603.db2.gz BCZMLMBZDKRCAG-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[C@@H](C(=O)N1CCC[N@@H+](CC2CC(C)C2)CC1)n1ccnc1 ZINC001196242967 1368574754 /nfs/dbraw/zinc/57/47/54/1368574754.db2.gz RPILXKULTKPJJE-ACBHZAAOSA-N 2 1 346.519 3.051 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111988765 1368593125 /nfs/dbraw/zinc/59/31/25/1368593125.db2.gz RYBQILOGZAKHCB-FPOVZHCZSA-N 2 1 349.563 3.413 20 0 EGADMP CC[N@H+](C)C[C@H](O)C[NH+](Cc1cccc(C(F)(F)F)c1)CC(C)C ZINC001196468707 1368621820 /nfs/dbraw/zinc/62/18/20/1368621820.db2.gz FWWGEQJWSAXGII-KRWDZBQOSA-N 2 1 346.437 3.476 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1cccc(C(F)(F)F)c1)CC(C)C ZINC001196468707 1368621823 /nfs/dbraw/zinc/62/18/23/1368621823.db2.gz FWWGEQJWSAXGII-KRWDZBQOSA-N 2 1 346.437 3.476 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)CC(C)C ZINC001196468707 1368621826 /nfs/dbraw/zinc/62/18/26/1368621826.db2.gz FWWGEQJWSAXGII-KRWDZBQOSA-N 2 1 346.437 3.476 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@H+](Cc1cccc(C(F)(F)F)c1)CC(C)C ZINC001196468707 1368621832 /nfs/dbraw/zinc/62/18/32/1368621832.db2.gz FWWGEQJWSAXGII-KRWDZBQOSA-N 2 1 346.437 3.476 20 0 EGADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)c1ccc(C(F)(F)F)cc1 ZINC001197005113 1368729331 /nfs/dbraw/zinc/72/93/31/1368729331.db2.gz YEVRZNBPTCHPQP-IAGOWNOFSA-N 2 1 344.421 3.329 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)c1ccc(C(F)(F)F)cc1 ZINC001197005113 1368729336 /nfs/dbraw/zinc/72/93/36/1368729336.db2.gz YEVRZNBPTCHPQP-IAGOWNOFSA-N 2 1 344.421 3.329 20 0 EGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]1(C)c1ccc(C(F)(F)F)cc1 ZINC001197005113 1368729340 /nfs/dbraw/zinc/72/93/40/1368729340.db2.gz YEVRZNBPTCHPQP-IAGOWNOFSA-N 2 1 344.421 3.329 20 0 EGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]1(C)c1ccc(C(F)(F)F)cc1 ZINC001197005113 1368729344 /nfs/dbraw/zinc/72/93/44/1368729344.db2.gz YEVRZNBPTCHPQP-IAGOWNOFSA-N 2 1 344.421 3.329 20 0 EGADMP CC[C@@H](C(=O)N1CCC[N@@H+](CCCC(C)C)CC1)[NH+](CC)CC ZINC001197141957 1368753716 /nfs/dbraw/zinc/75/37/16/1368753716.db2.gz QQVHILKOELKDQG-SFHVURJKSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001112359724 1368790611 /nfs/dbraw/zinc/79/06/11/1368790611.db2.gz HFFAHCQJQYOWAH-HDAAZOAOSA-N 2 1 349.563 3.125 20 0 EGADMP CCc1ccc(C[NH+]2CCN(CC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC001197349974 1368794070 /nfs/dbraw/zinc/79/40/70/1368794070.db2.gz MYXVNECILFDGTP-WOJBJXKFSA-N 2 1 343.559 3.345 20 0 EGADMP CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001112396851 1368822589 /nfs/dbraw/zinc/82/25/89/1368822589.db2.gz HDASSWPBESYXFZ-ZVDOUQERSA-N 2 1 349.563 3.124 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC[N@H+]([C@@H](C)c2cc(C)ccc2C)CC1 ZINC001197511989 1368830114 /nfs/dbraw/zinc/83/01/14/1368830114.db2.gz SPEFCYCONHHYQQ-IBGZPJMESA-N 2 1 345.531 3.241 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001198242901 1368987356 /nfs/dbraw/zinc/98/73/56/1368987356.db2.gz ACALZLBSADZBHD-SNAWJCMRSA-N 2 1 335.536 3.143 20 0 EGADMP CC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198259979 1368991212 /nfs/dbraw/zinc/99/12/12/1368991212.db2.gz VXKCLCLWGBVINI-RRFGBZISSA-N 2 1 343.515 3.180 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198259979 1368991216 /nfs/dbraw/zinc/99/12/16/1368991216.db2.gz VXKCLCLWGBVINI-RRFGBZISSA-N 2 1 343.515 3.180 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)N1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001198364461 1369017311 /nfs/dbraw/zinc/01/73/11/1369017311.db2.gz VLRRDLQDVJBFIU-UHFFFAOYSA-N 2 1 349.563 3.367 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+](CCC)CC2)CC1 ZINC001186605216 1387984154 /nfs/dbraw/zinc/98/41/54/1387984154.db2.gz LVBUDBCSOAOLRZ-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@H+](CCC)CC2)CC1 ZINC001186605216 1387984164 /nfs/dbraw/zinc/98/41/64/1387984164.db2.gz LVBUDBCSOAOLRZ-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@@H+](CCC)CC2)CC1 ZINC001186605216 1387984167 /nfs/dbraw/zinc/98/41/67/1387984167.db2.gz LVBUDBCSOAOLRZ-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001113438950 1369428805 /nfs/dbraw/zinc/42/88/05/1369428805.db2.gz QTGUSJKANFGEKP-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001113439507 1369429793 /nfs/dbraw/zinc/42/97/93/1369429793.db2.gz DDXZMGLSECACPT-NTMALXAHSA-N 2 1 337.552 3.389 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001113439507 1369429796 /nfs/dbraw/zinc/42/97/96/1369429796.db2.gz DDXZMGLSECACPT-NTMALXAHSA-N 2 1 337.552 3.389 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001200838554 1369437207 /nfs/dbraw/zinc/43/72/07/1369437207.db2.gz UHOBWOCJWWEEHU-QIJUGHKUSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001200838554 1369437210 /nfs/dbraw/zinc/43/72/10/1369437210.db2.gz UHOBWOCJWWEEHU-QIJUGHKUSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001200838554 1369437212 /nfs/dbraw/zinc/43/72/12/1369437212.db2.gz UHOBWOCJWWEEHU-QIJUGHKUSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001200838554 1369437215 /nfs/dbraw/zinc/43/72/15/1369437215.db2.gz UHOBWOCJWWEEHU-QIJUGHKUSA-N 2 1 341.543 3.361 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201052607 1369472435 /nfs/dbraw/zinc/47/24/35/1369472435.db2.gz GQIGRSQMSOQCDA-VQIMIIECSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201052605 1369472453 /nfs/dbraw/zinc/47/24/53/1369472453.db2.gz GQIGRSQMSOQCDA-QFBILLFUSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201053063 1369473156 /nfs/dbraw/zinc/47/31/56/1369473156.db2.gz JXLOVHRFULETID-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001201230444 1369499797 /nfs/dbraw/zinc/49/97/97/1369499797.db2.gz RHZGZZXIYSKGRI-UNQUKWGNSA-N 2 1 347.547 3.330 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001201230445 1369500211 /nfs/dbraw/zinc/50/02/11/1369500211.db2.gz RHZGZZXIYSKGRI-UVEXCMSLSA-N 2 1 347.547 3.330 20 0 EGADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3CC(C)(C)C)O2)CC1 ZINC001201435683 1369545048 /nfs/dbraw/zinc/54/50/48/1369545048.db2.gz VMRPLODFBLEFHV-GUDVDZBRSA-N 2 1 338.536 3.013 20 0 EGADMP FC1(F)CC[N@H+](CC2CCC2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001202734761 1369872625 /nfs/dbraw/zinc/87/26/25/1369872625.db2.gz ZRMHJWNWGCQTMT-SFHVURJKSA-N 2 1 335.442 3.415 20 0 EGADMP FC1(F)CC[N@@H+](CC2CCC2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001202734761 1369872628 /nfs/dbraw/zinc/87/26/28/1369872628.db2.gz ZRMHJWNWGCQTMT-SFHVURJKSA-N 2 1 335.442 3.415 20 0 EGADMP FC1(F)CC[NH+](CC2CCC2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001202734761 1369872630 /nfs/dbraw/zinc/87/26/30/1369872630.db2.gz ZRMHJWNWGCQTMT-SFHVURJKSA-N 2 1 335.442 3.415 20 0 EGADMP FC1(F)CC[NH+](CC2CCC2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001202734761 1369872632 /nfs/dbraw/zinc/87/26/32/1369872632.db2.gz ZRMHJWNWGCQTMT-SFHVURJKSA-N 2 1 335.442 3.415 20 0 EGADMP FC1(F)CC[N@H+](CC2CCC2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001202734739 1369872997 /nfs/dbraw/zinc/87/29/97/1369872997.db2.gz ZRMHJWNWGCQTMT-GOSISDBHSA-N 2 1 335.442 3.415 20 0 EGADMP FC1(F)CC[N@@H+](CC2CCC2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001202734739 1369873003 /nfs/dbraw/zinc/87/30/03/1369873003.db2.gz ZRMHJWNWGCQTMT-GOSISDBHSA-N 2 1 335.442 3.415 20 0 EGADMP FC1(F)CC[NH+](CC2CCC2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001202734739 1369873009 /nfs/dbraw/zinc/87/30/09/1369873009.db2.gz ZRMHJWNWGCQTMT-GOSISDBHSA-N 2 1 335.442 3.415 20 0 EGADMP FC1(F)CC[NH+](CC2CCC2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001202734739 1369873013 /nfs/dbraw/zinc/87/30/13/1369873013.db2.gz ZRMHJWNWGCQTMT-GOSISDBHSA-N 2 1 335.442 3.415 20 0 EGADMP CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001202763477 1369883431 /nfs/dbraw/zinc/88/34/31/1369883431.db2.gz FNGWVKMHGUAGOE-IBGZPJMESA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001202872518 1369914117 /nfs/dbraw/zinc/91/41/17/1369914117.db2.gz HGBSIYUHDIFCEJ-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC([NH2+]CC2CCCCC2)CC1 ZINC001202939926 1369931861 /nfs/dbraw/zinc/93/18/61/1369931861.db2.gz KGGQTMUQRSCZIP-UHFFFAOYSA-N 2 1 346.519 3.133 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)C12CCC2)C1CCC1 ZINC001203044577 1369965380 /nfs/dbraw/zinc/96/53/80/1369965380.db2.gz MTYNZYLWGUVTQO-RTBURBONSA-N 2 1 347.547 3.068 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203104712 1369984705 /nfs/dbraw/zinc/98/47/05/1369984705.db2.gz TXMMQGLZHVSPOA-ROUUACIJSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203231441 1370033874 /nfs/dbraw/zinc/03/38/74/1370033874.db2.gz SKHMJEJGPKCQMX-RTBURBONSA-N 2 1 349.563 3.314 20 0 EGADMP CC[NH+](CC)CCn1cc(Nc2c(C)[nH+]c3ccc(F)cn32)cn1 ZINC001203256334 1370043943 /nfs/dbraw/zinc/04/39/43/1370043943.db2.gz LAUIQIRTSCSGLO-UHFFFAOYSA-N 2 1 330.411 3.064 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21)[NH+](CC)CC ZINC001114828637 1370101030 /nfs/dbraw/zinc/10/10/30/1370101030.db2.gz HMXSTTZUUXJGOF-WCIQWLHISA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203425096 1370120013 /nfs/dbraw/zinc/12/00/13/1370120013.db2.gz AFTORDFMHIGOPN-IAGOWNOFSA-N 2 1 337.552 3.027 20 0 EGADMP COc1ccccc1CN1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001203432318 1370123321 /nfs/dbraw/zinc/12/33/21/1370123321.db2.gz PGHVMJTWDXIMFW-PZJWPPBQSA-N 2 1 344.499 3.018 20 0 EGADMP CCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203467310 1370135892 /nfs/dbraw/zinc/13/58/92/1370135892.db2.gz AFLCMTVLQYIKDV-IAGOWNOFSA-N 2 1 346.519 3.214 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203507070 1370148361 /nfs/dbraw/zinc/14/83/61/1370148361.db2.gz NYXSBNOBIIYHGO-OALUTQOASA-N 2 1 349.563 3.316 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC3CCCCC3)C[C@H]21 ZINC001114982645 1370190859 /nfs/dbraw/zinc/19/08/59/1370190859.db2.gz SJEFNBNKZXBUPE-KXTWHKPSSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21 ZINC001114982645 1370190862 /nfs/dbraw/zinc/19/08/62/1370190862.db2.gz SJEFNBNKZXBUPE-KXTWHKPSSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21 ZINC001114982645 1370190865 /nfs/dbraw/zinc/19/08/65/1370190865.db2.gz SJEFNBNKZXBUPE-KXTWHKPSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203652549 1370202257 /nfs/dbraw/zinc/20/22/57/1370202257.db2.gz VOFPNYZEOXSJHP-MOPGFXCFSA-N 2 1 349.563 3.316 20 0 EGADMP COc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001203820839 1370277457 /nfs/dbraw/zinc/27/74/57/1370277457.db2.gz LFAFSBRUZZDUQG-CALCHBBNSA-N 2 1 328.481 3.321 20 0 EGADMP COc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001203820839 1370277458 /nfs/dbraw/zinc/27/74/58/1370277458.db2.gz LFAFSBRUZZDUQG-CALCHBBNSA-N 2 1 328.481 3.321 20 0 EGADMP COc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001203820839 1370277461 /nfs/dbraw/zinc/27/74/61/1370277461.db2.gz LFAFSBRUZZDUQG-CALCHBBNSA-N 2 1 328.481 3.321 20 0 EGADMP COc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001203820839 1370277462 /nfs/dbraw/zinc/27/74/62/1370277462.db2.gz LFAFSBRUZZDUQG-CALCHBBNSA-N 2 1 328.481 3.321 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001203853294 1370290237 /nfs/dbraw/zinc/29/02/37/1370290237.db2.gz PXKGUWKOYCERMC-HDICACEKSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c1 ZINC001203890880 1370301634 /nfs/dbraw/zinc/30/16/34/1370301634.db2.gz NGOMFOARKKDPLI-NHCUHLMSSA-N 2 1 328.500 3.175 20 0 EGADMP Cc1cccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1 ZINC001203890880 1370301639 /nfs/dbraw/zinc/30/16/39/1370301639.db2.gz NGOMFOARKKDPLI-NHCUHLMSSA-N 2 1 328.500 3.175 20 0 EGADMP Cc1cccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1 ZINC001203890880 1370301644 /nfs/dbraw/zinc/30/16/44/1370301644.db2.gz NGOMFOARKKDPLI-NHCUHLMSSA-N 2 1 328.500 3.175 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001203904372 1370308831 /nfs/dbraw/zinc/30/88/31/1370308831.db2.gz UDPPPLLJBSPPGN-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203910335 1370310844 /nfs/dbraw/zinc/31/08/44/1370310844.db2.gz GGLNHAAUCITVMI-XJDXJNMNSA-N 2 1 343.515 3.226 20 0 EGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC001204075086 1370369156 /nfs/dbraw/zinc/36/91/56/1370369156.db2.gz YRJALGXBVCKWLI-UHFFFAOYSA-N 2 1 336.483 3.353 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C)cc1)C2 ZINC001204172092 1370398233 /nfs/dbraw/zinc/39/82/33/1370398233.db2.gz RUPGJWAEZUAKCG-SFTDATJTSA-N 2 1 328.500 3.175 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCC2CCCC2)CCCCC1 ZINC001115450883 1370459120 /nfs/dbraw/zinc/45/91/20/1370459120.db2.gz SBNQSDLGTCBXAN-LJQANCHMSA-N 2 1 349.563 3.460 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCCC2)CCCCC1 ZINC001115450982 1370459450 /nfs/dbraw/zinc/45/94/50/1370459450.db2.gz WJVCVYMKMKZFKO-LJQANCHMSA-N 2 1 349.563 3.460 20 0 EGADMP CCc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)o1 ZINC001204389847 1370463764 /nfs/dbraw/zinc/46/37/64/1370463764.db2.gz DPAZYKDCMVSRTC-XLIONFOSSA-N 2 1 332.488 3.022 20 0 EGADMP CCc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)o1 ZINC001204389847 1370463767 /nfs/dbraw/zinc/46/37/67/1370463767.db2.gz DPAZYKDCMVSRTC-XLIONFOSSA-N 2 1 332.488 3.022 20 0 EGADMP CCc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)o1 ZINC001204389847 1370463771 /nfs/dbraw/zinc/46/37/71/1370463771.db2.gz DPAZYKDCMVSRTC-XLIONFOSSA-N 2 1 332.488 3.022 20 0 EGADMP CCc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)o1 ZINC001204389847 1370463772 /nfs/dbraw/zinc/46/37/72/1370463772.db2.gz DPAZYKDCMVSRTC-XLIONFOSSA-N 2 1 332.488 3.022 20 0 EGADMP c1csc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001204548714 1370511641 /nfs/dbraw/zinc/51/16/41/1370511641.db2.gz AWNRPJXTIAGMDV-ROUUACIJSA-N 2 1 327.497 3.487 20 0 EGADMP c1csc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001204548714 1370511643 /nfs/dbraw/zinc/51/16/43/1370511643.db2.gz AWNRPJXTIAGMDV-ROUUACIJSA-N 2 1 327.497 3.487 20 0 EGADMP c1csc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001204548714 1370511646 /nfs/dbraw/zinc/51/16/46/1370511646.db2.gz AWNRPJXTIAGMDV-ROUUACIJSA-N 2 1 327.497 3.487 20 0 EGADMP c1csc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001204548714 1370511647 /nfs/dbraw/zinc/51/16/47/1370511647.db2.gz AWNRPJXTIAGMDV-ROUUACIJSA-N 2 1 327.497 3.487 20 0 EGADMP Cc1c(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cnn1C ZINC001204574130 1370519629 /nfs/dbraw/zinc/51/96/29/1370519629.db2.gz XEUNJELQAKBYIZ-UHFFFAOYSA-N 2 1 326.488 3.073 20 0 EGADMP Cc1nn(C)cc1C[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001204577147 1370521555 /nfs/dbraw/zinc/52/15/55/1370521555.db2.gz QXTVEGOSMKSHOH-LJQANCHMSA-N 2 1 342.487 3.198 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115534955 1370532504 /nfs/dbraw/zinc/53/25/04/1370532504.db2.gz DHJLDDGEZAGASA-GOSISDBHSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001115543767 1370540530 /nfs/dbraw/zinc/54/05/30/1370540530.db2.gz ZQSGBEUHLYQIHS-QZTJIDSGSA-N 2 1 337.552 3.172 20 0 EGADMP COc1cc(Cl)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1OC ZINC001204735504 1370559149 /nfs/dbraw/zinc/55/91/49/1370559149.db2.gz WHFPHEDWVRJKRE-UHFFFAOYSA-N 2 1 338.879 3.323 20 0 EGADMP CC(C)Oc1ncc(Cl)cc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742783 1370561828 /nfs/dbraw/zinc/56/18/28/1370561828.db2.gz UKMPXUDZILTZHE-UHFFFAOYSA-N 2 1 337.895 3.488 20 0 EGADMP CC(C)Oc1ncc(Cl)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742783 1370561832 /nfs/dbraw/zinc/56/18/32/1370561832.db2.gz UKMPXUDZILTZHE-UHFFFAOYSA-N 2 1 337.895 3.488 20 0 EGADMP O=C1CC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)[C@@H]2CCCC[C@H]12 ZINC001204847966 1370589576 /nfs/dbraw/zinc/58/95/76/1370589576.db2.gz ISXDRROPPDLVTH-RBUKOAKNSA-N 2 1 337.467 3.078 20 0 EGADMP COc1ccc(CC[N@@H+](C)CCC[NH2+]C2CCCCC2)cc1OC ZINC001204869571 1370593601 /nfs/dbraw/zinc/59/36/01/1370593601.db2.gz DLSCJRXBGOJQSV-UHFFFAOYSA-N 2 1 334.504 3.491 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCCCC1 ZINC001115611427 1370610602 /nfs/dbraw/zinc/61/06/02/1370610602.db2.gz HWQGMJRHBSYKGX-LJQANCHMSA-N 2 1 349.563 3.482 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001187276378 1388085100 /nfs/dbraw/zinc/08/51/00/1388085100.db2.gz HYIZFCRDAXRBKP-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc2cc(Br)cnc21 ZINC001205082258 1370645430 /nfs/dbraw/zinc/64/54/30/1370645430.db2.gz DNVMXFVCADQMCM-NHYWBVRUSA-N 2 1 334.261 3.309 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc2cc(Br)cnc21 ZINC001205082258 1370645436 /nfs/dbraw/zinc/64/54/36/1370645436.db2.gz DNVMXFVCADQMCM-NHYWBVRUSA-N 2 1 334.261 3.309 20 0 EGADMP COc1cc(F)ccc1-c1cncc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205124543 1370657723 /nfs/dbraw/zinc/65/77/23/1370657723.db2.gz UPHHIENZUIUZJN-QGZVFWFLSA-N 2 1 329.419 3.210 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cccc(-c3ccc(F)cc3F)c2)CC1 ZINC001205247831 1370694775 /nfs/dbraw/zinc/69/47/75/1370694775.db2.gz JZEMFOGYVDUHST-HXUWFJFHSA-N 2 1 346.421 3.308 20 0 EGADMP COc1ccc(-c2ccccc2)c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205247189 1370694915 /nfs/dbraw/zinc/69/49/15/1370694915.db2.gz CRHCDLCGFZOAGX-OAQYLSRUSA-N 2 1 340.467 3.038 20 0 EGADMP C[C@]1([NH3+])CCC[N@H+](Cc2cc(OCc3ccccc3)ccn2)CC1 ZINC001205280821 1370705010 /nfs/dbraw/zinc/70/50/10/1370705010.db2.gz JRXLJWWXFGYHMC-FQEVSTJZSA-N 2 1 325.456 3.364 20 0 EGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(OCc3ccccc3)ccn2)CC1 ZINC001205280821 1370705015 /nfs/dbraw/zinc/70/50/15/1370705015.db2.gz JRXLJWWXFGYHMC-FQEVSTJZSA-N 2 1 325.456 3.364 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1([NH2+]Cc2ccccc2)CCCCC1 ZINC001115729345 1370710986 /nfs/dbraw/zinc/71/09/86/1370710986.db2.gz BNCLBWFBGXIVES-GOSISDBHSA-N 2 1 343.515 3.080 20 0 EGADMP CC/C=C/CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115729461 1370711459 /nfs/dbraw/zinc/71/14/59/1370711459.db2.gz GSHDGXFTYKEOQA-WRFKIARRSA-N 2 1 335.536 3.093 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115729882 1370712054 /nfs/dbraw/zinc/71/20/54/1370712054.db2.gz WUMIVITZHNRCMN-GOSISDBHSA-N 2 1 349.563 3.460 20 0 EGADMP CCCCCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730432 1370713226 /nfs/dbraw/zinc/71/32/26/1370713226.db2.gz JPMLGIZHZBSEPI-ROUUACIJSA-N 2 1 337.552 3.173 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730940 1370713675 /nfs/dbraw/zinc/71/36/75/1370713675.db2.gz VJUMGDWBWLALOF-WMZOPIPTSA-N 2 1 337.552 3.029 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115730937 1370713829 /nfs/dbraw/zinc/71/38/29/1370713829.db2.gz VJUMGDWBWLALOF-AEFFLSMTSA-N 2 1 337.552 3.029 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205305960 1370715303 /nfs/dbraw/zinc/71/53/03/1370715303.db2.gz UYBPFXKUIROXSM-DGCLKSJQSA-N 2 1 332.366 3.011 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205305960 1370715308 /nfs/dbraw/zinc/71/53/08/1370715308.db2.gz UYBPFXKUIROXSM-DGCLKSJQSA-N 2 1 332.366 3.011 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CCc2ccccc2Br)CC1 ZINC001205537157 1370784574 /nfs/dbraw/zinc/78/45/74/1370784574.db2.gz DKKKBIMMFLFQEP-OAHLLOKOSA-N 2 1 329.257 3.145 20 0 EGADMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1OC ZINC001205559227 1370791057 /nfs/dbraw/zinc/79/10/57/1370791057.db2.gz PDLIQNCNCJDRFG-INIZCTEOSA-N 2 1 330.831 3.010 20 0 EGADMP COc1cc(Br)ccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205570372 1370795390 /nfs/dbraw/zinc/79/53/90/1370795390.db2.gz JFMANBXOOJHYPN-OAHLLOKOSA-N 2 1 345.256 3.111 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)ccc1C(F)(F)F ZINC001205570917 1370795590 /nfs/dbraw/zinc/79/55/90/1370795590.db2.gz PQJJHLLSWLKSAI-OAHLLOKOSA-N 2 1 334.357 3.367 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2)CC[C@@H]1C[NH3+] ZINC001205626647 1370816525 /nfs/dbraw/zinc/81/65/25/1370816525.db2.gz HPIGYORUCSCNHG-WCQYABFASA-N 2 1 329.257 3.395 20 0 EGADMP Cc1ccc(F)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001205633986 1370819861 /nfs/dbraw/zinc/81/98/61/1370819861.db2.gz PAWFCNVJWDKDQR-QUCCMNQESA-N 2 1 339.458 3.483 20 0 EGADMP Cc1ccc(F)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001205633986 1370819872 /nfs/dbraw/zinc/81/98/72/1370819872.db2.gz PAWFCNVJWDKDQR-QUCCMNQESA-N 2 1 339.458 3.483 20 0 EGADMP Cc1ccc(F)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001205633986 1370819875 /nfs/dbraw/zinc/81/98/75/1370819875.db2.gz PAWFCNVJWDKDQR-QUCCMNQESA-N 2 1 339.458 3.483 20 0 EGADMP Cc1ccc(F)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001205633986 1370819881 /nfs/dbraw/zinc/81/98/81/1370819881.db2.gz PAWFCNVJWDKDQR-QUCCMNQESA-N 2 1 339.458 3.483 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(O)c(OC(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205636008 1370820981 /nfs/dbraw/zinc/82/09/81/1370820981.db2.gz BQOMPPZBFLJTRW-DGCLKSJQSA-N 2 1 332.366 3.098 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)CC[C@H]1C[NH3+] ZINC001205636878 1370821733 /nfs/dbraw/zinc/82/17/33/1370821733.db2.gz FUYSOYPPCHRHNE-XLIONFOSSA-N 2 1 339.483 3.467 20 0 EGADMP COc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1OCC1CC1 ZINC001205663339 1370834427 /nfs/dbraw/zinc/83/44/27/1370834427.db2.gz HWEDVGYOWNZZHL-NVXWUHKLSA-N 2 1 332.488 3.291 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCCC[C@H]2CCNC(=O)OC(C)(C)C)CC1 ZINC001205727452 1370853767 /nfs/dbraw/zinc/85/37/67/1370853767.db2.gz BPSGWYKVMZAQDH-KRWDZBQOSA-N 2 1 339.524 3.098 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001205734558 1370854818 /nfs/dbraw/zinc/85/48/18/1370854818.db2.gz FGKFMBLTRFEHKE-IBGZPJMESA-N 2 1 345.874 3.078 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCCCCOCc2ccccc2)CCC1(F)F ZINC001205736232 1370855560 /nfs/dbraw/zinc/85/55/60/1370855560.db2.gz WULFEQLCKFTYNJ-KRWDZBQOSA-N 2 1 326.431 3.289 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001116208782 1370860532 /nfs/dbraw/zinc/86/05/32/1370860532.db2.gz HPWYRGNCGORQRP-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001116208782 1370860536 /nfs/dbraw/zinc/86/05/36/1370860536.db2.gz HPWYRGNCGORQRP-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001116208782 1370860540 /nfs/dbraw/zinc/86/05/40/1370860540.db2.gz HPWYRGNCGORQRP-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205902109 1370904806 /nfs/dbraw/zinc/90/48/06/1370904806.db2.gz IDACFCJHSPMMJF-APWZRJJASA-N 2 1 326.488 3.107 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205905292 1370906181 /nfs/dbraw/zinc/90/61/81/1370906181.db2.gz ZYSXVGVKWTYPEF-VXGBXAGGSA-N 2 1 332.366 3.153 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205905292 1370906184 /nfs/dbraw/zinc/90/61/84/1370906184.db2.gz ZYSXVGVKWTYPEF-VXGBXAGGSA-N 2 1 332.366 3.153 20 0 EGADMP COc1ccc2c(OC)ccc(C[N@H+]3CCC[C@H](C[NH3+])[C@H]3C)c2c1 ZINC001205923214 1370912107 /nfs/dbraw/zinc/91/21/07/1370912107.db2.gz KZIBDZBIELWMCO-HUUCEWRRSA-N 2 1 328.456 3.416 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc(F)ccc2Br)CCC[C@@H]1C[NH3+] ZINC001205994412 1370933122 /nfs/dbraw/zinc/93/31/22/1370933122.db2.gz LMIJDURXCWBAJK-NWDGAFQWSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(OC3CCOCC3)cc2)CCC[C@@H]1C[NH3+] ZINC001206003431 1370935683 /nfs/dbraw/zinc/93/56/83/1370935683.db2.gz HTTLIOLWUJCTQF-FUHWJXTLSA-N 2 1 332.488 3.051 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(OC3CCOCC3)cc2)CCC[C@@H]1C[NH3+] ZINC001206003432 1370935772 /nfs/dbraw/zinc/93/57/72/1370935772.db2.gz HTTLIOLWUJCTQF-SJLPKXTDSA-N 2 1 332.488 3.051 20 0 EGADMP C[C@H]1C[N@H+](Cc2c(Cl)cncc2Br)CCC[C@H]1C[NH3+] ZINC001206036574 1370945235 /nfs/dbraw/zinc/94/52/35/1370945235.db2.gz LMHKIMCWRZUIJZ-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccnc(Br)c2Cl)CCC[C@@H]1C[NH3+] ZINC001206036479 1370945223 /nfs/dbraw/zinc/94/52/23/1370945223.db2.gz JYXLMMIZFVRKPX-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccnc(Br)c2Cl)CCC[C@@H]1C[NH3+] ZINC001206036479 1370945225 /nfs/dbraw/zinc/94/52/25/1370945225.db2.gz JYXLMMIZFVRKPX-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC001206084715 1370957360 /nfs/dbraw/zinc/95/73/60/1370957360.db2.gz MJGIKXBEHPPRHN-KFWWJZLASA-N 2 1 334.451 3.064 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC001206084715 1370957362 /nfs/dbraw/zinc/95/73/62/1370957362.db2.gz MJGIKXBEHPPRHN-KFWWJZLASA-N 2 1 334.451 3.064 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001206292893 1371013814 /nfs/dbraw/zinc/01/38/14/1371013814.db2.gz FKVVGFRUYFEKKG-RTWAWAEBSA-N 3 1 329.532 3.350 20 0 EGADMP C[C@]1(C[NH3+])CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001206292893 1371013826 /nfs/dbraw/zinc/01/38/26/1371013826.db2.gz FKVVGFRUYFEKKG-RTWAWAEBSA-N 3 1 329.532 3.350 20 0 EGADMP C[C@]1(C[NH3+])CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001206292893 1371013832 /nfs/dbraw/zinc/01/38/32/1371013832.db2.gz FKVVGFRUYFEKKG-RTWAWAEBSA-N 3 1 329.532 3.350 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001206292893 1371013834 /nfs/dbraw/zinc/01/38/34/1371013834.db2.gz FKVVGFRUYFEKKG-RTWAWAEBSA-N 2 1 329.532 3.350 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001206292893 1371013840 /nfs/dbraw/zinc/01/38/40/1371013840.db2.gz FKVVGFRUYFEKKG-RTWAWAEBSA-N 2 1 329.532 3.350 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(C(F)(F)F)nc3sccn23)CC1 ZINC001206317500 1371019830 /nfs/dbraw/zinc/01/98/30/1371019830.db2.gz GHAOEVKVYFFXBE-CQSZACIVSA-N 2 1 346.422 3.366 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1OCC1CC1 ZINC001206338313 1371026615 /nfs/dbraw/zinc/02/66/15/1371026615.db2.gz ZDEIBYTWODEZCX-FQEVSTJZSA-N 2 1 332.488 3.435 20 0 EGADMP Cc1cc(F)c(C[NH+]2CCC(CC[NH3+])CC2)c(Br)c1 ZINC001206506692 1371076843 /nfs/dbraw/zinc/07/68/43/1371076843.db2.gz LOAQKYSEZVUHPS-UHFFFAOYSA-N 2 1 329.257 3.457 20 0 EGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCc2ccc(Br)cc2)C1 ZINC001206542289 1371087187 /nfs/dbraw/zinc/08/71/87/1371087187.db2.gz XFKZDHKYBRTCTB-INIZCTEOSA-N 2 1 325.294 3.443 20 0 EGADMP C[C@]1(C[NH3+])CCCCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001206541762 1371087792 /nfs/dbraw/zinc/08/77/92/1371087792.db2.gz JRWLRFCQHVEJIX-LEWJYISDSA-N 2 1 329.532 3.350 20 0 EGADMP CCOC(=O)Cc1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1 ZINC001206598739 1371104837 /nfs/dbraw/zinc/10/48/37/1371104837.db2.gz LYVDHCDWJUOJPV-IBGZPJMESA-N 2 1 332.488 3.145 20 0 EGADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC001118121238 1371132922 /nfs/dbraw/zinc/13/29/22/1371132922.db2.gz CPRMWMMPWUHPBL-HUUCEWRRSA-N 2 1 338.517 3.052 20 0 EGADMP CN(C)CC1(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)CCCC1 ZINC001206745446 1371152112 /nfs/dbraw/zinc/15/21/12/1371152112.db2.gz YQZLNVCUMLEXQD-UHFFFAOYSA-N 2 1 329.532 3.101 20 0 EGADMP Oc1ccc(Br)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001118243355 1371153106 /nfs/dbraw/zinc/15/31/06/1371153106.db2.gz RDTXUTABZKOQPZ-UHFFFAOYSA-N 2 1 339.277 3.120 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1OC(=O)C(C)C ZINC001206769714 1371159398 /nfs/dbraw/zinc/15/93/98/1371159398.db2.gz PRKFOKFWEOVMKU-DOTOQJQBSA-N 2 1 348.487 3.206 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCCC3)cc2)[C@@H]1CCC[NH3+] ZINC001118506353 1371191132 /nfs/dbraw/zinc/19/11/32/1371191132.db2.gz NRKZXQVBJKLYPR-YLJYHZDGSA-N 2 1 343.515 3.262 20 0 EGADMP Fc1cncc(F)c1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001206857878 1371192311 /nfs/dbraw/zinc/19/23/11/1371192311.db2.gz AANBAVRDUBLJBR-UHFFFAOYSA-N 2 1 347.409 3.441 20 0 EGADMP CC[N@@H+](Cc1ccccc1)C1CCN(Cc2ccc[nH]c2=O)CC1 ZINC001207007721 1371264878 /nfs/dbraw/zinc/26/48/78/1371264878.db2.gz WZOAHHLKMIHNJE-UHFFFAOYSA-N 2 1 325.456 3.274 20 0 EGADMP Cc1cnc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)cn1 ZINC001207074618 1371287082 /nfs/dbraw/zinc/28/70/82/1371287082.db2.gz CFFRYHLJVIZQKL-IBGZPJMESA-N 2 1 340.471 3.255 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207291486 1371352387 /nfs/dbraw/zinc/35/23/87/1371352387.db2.gz PPHWPASMGSFCII-UHFFFAOYSA-N 3 1 329.532 3.172 20 0 EGADMP CCN(CC)[C@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207290769 1371352702 /nfs/dbraw/zinc/35/27/02/1371352702.db2.gz CDRVDPQNLJAZEF-NRFANRHFSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+](CC)[C@H]1CCN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207290769 1371352705 /nfs/dbraw/zinc/35/27/05/1371352705.db2.gz CDRVDPQNLJAZEF-NRFANRHFSA-N 2 1 329.532 3.315 20 0 EGADMP COC(=O)[C@]1(C)CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207292771 1371352860 /nfs/dbraw/zinc/35/28/60/1371352860.db2.gz ZJFVHVSGMJBPQC-OAQYLSRUSA-N 2 1 344.499 3.174 20 0 EGADMP c1ccc(C[NH+]2CCC(C[NH+]3CCC([NH+]4CCC4)CC3)CC2)cc1 ZINC001207295452 1371353740 /nfs/dbraw/zinc/35/37/40/1371353740.db2.gz QYGPAIFKWXNXGN-UHFFFAOYSA-N 3 1 327.516 3.069 20 0 EGADMP CN(C1CC1)[C@@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293400 1371353915 /nfs/dbraw/zinc/35/39/15/1371353915.db2.gz IQYKHLXPOCHYFY-OAQYLSRUSA-N 2 1 327.516 3.067 20 0 EGADMP C[N@H+](C1CC1)[C@@H]1CCN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293400 1371353917 /nfs/dbraw/zinc/35/39/17/1371353917.db2.gz IQYKHLXPOCHYFY-OAQYLSRUSA-N 2 1 327.516 3.067 20 0 EGADMP C[N@@H+](C1CC1)[C@@H]1CCN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293400 1371353924 /nfs/dbraw/zinc/35/39/24/1371353924.db2.gz IQYKHLXPOCHYFY-OAQYLSRUSA-N 2 1 327.516 3.067 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](CC1CC[NH+](C)CC1)CC2 ZINC001207396984 1371384143 /nfs/dbraw/zinc/38/41/43/1371384143.db2.gz ZQZWEBJSKGXETM-HXUWFJFHSA-N 3 1 345.531 3.298 20 0 EGADMP COc1ccc(CC[N@@H+]2C[C@@H]3C[C@@H](CN(Cc4ccco4)C3)C2)cc1 ZINC001207476158 1371406714 /nfs/dbraw/zinc/40/67/14/1371406714.db2.gz TYIGLRDYWFCGIK-KDURUIRLSA-N 2 1 340.467 3.285 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(C)c1C1CC1 ZINC001119948593 1371430262 /nfs/dbraw/zinc/43/02/62/1371430262.db2.gz KMDHJBZLFKEAEB-JXFKEZNVSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(C)c1C1CC1 ZINC001119948593 1371430265 /nfs/dbraw/zinc/43/02/65/1371430265.db2.gz KMDHJBZLFKEAEB-JXFKEZNVSA-N 2 1 338.499 3.298 20 0 EGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001207626227 1371456990 /nfs/dbraw/zinc/45/69/90/1371456990.db2.gz BZCNBIHSXKLMGH-XIYVOTBMSA-N 2 1 330.516 3.021 20 0 EGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001207626227 1371456995 /nfs/dbraw/zinc/45/69/95/1371456995.db2.gz BZCNBIHSXKLMGH-XIYVOTBMSA-N 2 1 330.516 3.021 20 0 EGADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001207626227 1371456996 /nfs/dbraw/zinc/45/69/96/1371456996.db2.gz BZCNBIHSXKLMGH-XIYVOTBMSA-N 2 1 330.516 3.021 20 0 EGADMP CCCCCC[NH2+]C1(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCCCC1 ZINC001120075366 1371479744 /nfs/dbraw/zinc/47/97/44/1371479744.db2.gz YNESMJHTJIJZCS-FQEVSTJZSA-N 2 1 349.563 3.461 20 0 EGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001207918156 1371539372 /nfs/dbraw/zinc/53/93/72/1371539372.db2.gz KQOQKGVTWVIQTP-IBGZPJMESA-N 2 1 345.575 3.342 20 0 EGADMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@H]3COC(C)(C)O3)C[C@@H]21 ZINC001207928385 1371541280 /nfs/dbraw/zinc/54/12/80/1371541280.db2.gz PLYHJFDWCBAQMF-KNTRFNDTSA-N 2 1 344.499 3.248 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@H]3COC(C)(C)O3)C[C@@H]21 ZINC001207928385 1371541281 /nfs/dbraw/zinc/54/12/81/1371541281.db2.gz PLYHJFDWCBAQMF-KNTRFNDTSA-N 2 1 344.499 3.248 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@H]3COC(C)(C)O3)C[C@@H]21 ZINC001207928385 1371541284 /nfs/dbraw/zinc/54/12/84/1371541284.db2.gz PLYHJFDWCBAQMF-KNTRFNDTSA-N 2 1 344.499 3.248 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@H]3COC(C)(C)O3)C[C@@H]21 ZINC001207928385 1371541287 /nfs/dbraw/zinc/54/12/87/1371541287.db2.gz PLYHJFDWCBAQMF-KNTRFNDTSA-N 2 1 344.499 3.248 20 0 EGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](C[C@@H]1CCCCO1)CC2 ZINC001207954332 1371550315 /nfs/dbraw/zinc/55/03/15/1371550315.db2.gz HICLKGNFHAVBCB-FQEVSTJZSA-N 2 1 343.515 3.327 20 0 EGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]21 ZINC001207956566 1371550500 /nfs/dbraw/zinc/55/05/00/1371550500.db2.gz ANAZFHGBRXKWHB-BVOGOJNSSA-N 2 1 343.515 3.183 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CCCCO3)C[C@@H]21 ZINC001207956566 1371550502 /nfs/dbraw/zinc/55/05/02/1371550502.db2.gz ANAZFHGBRXKWHB-BVOGOJNSSA-N 2 1 343.515 3.183 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CCCCO3)C[C@@H]21 ZINC001207956566 1371550505 /nfs/dbraw/zinc/55/05/05/1371550505.db2.gz ANAZFHGBRXKWHB-BVOGOJNSSA-N 2 1 343.515 3.183 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]21 ZINC001207956566 1371550507 /nfs/dbraw/zinc/55/05/07/1371550507.db2.gz ANAZFHGBRXKWHB-BVOGOJNSSA-N 2 1 343.515 3.183 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]21 ZINC001207956566 1371550510 /nfs/dbraw/zinc/55/05/10/1371550510.db2.gz ANAZFHGBRXKWHB-BVOGOJNSSA-N 2 1 343.515 3.183 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001120421770 1371569840 /nfs/dbraw/zinc/56/98/40/1371569840.db2.gz CXBPEMORNBGGJY-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CC2CCCC2)C1 ZINC001120440086 1371578858 /nfs/dbraw/zinc/57/88/58/1371578858.db2.gz KYIQBCXJNPCOTA-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC2CCCC2)C1 ZINC001120440086 1371578861 /nfs/dbraw/zinc/57/88/61/1371578861.db2.gz KYIQBCXJNPCOTA-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC2CCCC2)C1 ZINC001120440086 1371578863 /nfs/dbraw/zinc/57/88/63/1371578863.db2.gz KYIQBCXJNPCOTA-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)CC1(C)CC[NH+](C)CC1)C2 ZINC001208109771 1371597618 /nfs/dbraw/zinc/59/76/18/1371597618.db2.gz RBYRQOBIUQIEPC-MRXNPFEDSA-N 2 1 332.488 3.007 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208111334 1371598764 /nfs/dbraw/zinc/59/87/64/1371598764.db2.gz KGGYUZWKOVOOIT-SFTDATJTSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(C)(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208111334 1371598765 /nfs/dbraw/zinc/59/87/65/1371598765.db2.gz KGGYUZWKOVOOIT-SFTDATJTSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(C)(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208111334 1371598767 /nfs/dbraw/zinc/59/87/67/1371598767.db2.gz KGGYUZWKOVOOIT-SFTDATJTSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(C)(C[N@@H+]2CCc3ncc(C(F)(F)F)cc3C2)CC1 ZINC001208114103 1371599593 /nfs/dbraw/zinc/59/95/93/1371599593.db2.gz RHRYUBRTJJANGM-UHFFFAOYSA-N 2 1 327.394 3.190 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CCc3ncc(C(F)(F)F)cc3C2)CC1 ZINC001208114103 1371599605 /nfs/dbraw/zinc/59/96/05/1371599605.db2.gz RHRYUBRTJJANGM-UHFFFAOYSA-N 2 1 327.394 3.190 20 0 EGADMP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001326310788 1388149611 /nfs/dbraw/zinc/14/96/11/1388149611.db2.gz JYNKGAKFSRXWST-OAHLLOKOSA-N 2 1 347.528 3.201 20 0 EGADMP C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001208225551 1371664612 /nfs/dbraw/zinc/66/46/12/1371664612.db2.gz LTYMGZXMYGVSBS-OAHLLOKOSA-N 2 1 330.472 3.153 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001208359751 1371734979 /nfs/dbraw/zinc/73/49/79/1371734979.db2.gz ZYGYOKMUSVVCFS-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208448225 1371769778 /nfs/dbraw/zinc/76/97/78/1371769778.db2.gz XNKYEUXVTLHYSQ-LZQZEXGQSA-N 2 1 349.494 3.055 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001208453309 1371771517 /nfs/dbraw/zinc/77/15/17/1371771517.db2.gz DOHIQTHQNCMTCJ-ROUUACIJSA-N 2 1 345.531 3.367 20 0 EGADMP CC[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001208460212 1371775663 /nfs/dbraw/zinc/77/56/63/1371775663.db2.gz QFLUYBWYKQMBRR-DLBZAZTESA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208475181 1371781971 /nfs/dbraw/zinc/78/19/71/1371781971.db2.gz SFDNCVBFKXLSQY-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC001208589808 1371830510 /nfs/dbraw/zinc/83/05/10/1371830510.db2.gz YWXJRVTYQBEFSO-RTWAWAEBSA-N 2 1 327.516 3.211 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](Oc3cccc(OC)c3)C2)CC1 ZINC001208598934 1371834816 /nfs/dbraw/zinc/83/48/16/1371834816.db2.gz BGRQZOMOTBNING-FQEVSTJZSA-N 2 1 332.488 3.270 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208627280 1371846256 /nfs/dbraw/zinc/84/62/56/1371846256.db2.gz YHJDCFRLOZXMRW-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC001121117099 1371857148 /nfs/dbraw/zinc/85/71/48/1371857148.db2.gz DVNNXDIQODWYDE-RBUNFDSBSA-N 2 1 347.547 3.068 20 0 EGADMP C[N@@H+](CC(=O)NC1CC2(C1)CC([NH2+]CCC1CCCC1)C2)C1CCC1 ZINC001121245902 1371906289 /nfs/dbraw/zinc/90/62/89/1371906289.db2.gz IGIRDXGZAMANML-UHFFFAOYSA-N 2 1 347.547 3.068 20 0 EGADMP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001121261034 1371912829 /nfs/dbraw/zinc/91/28/29/1371912829.db2.gz MMXYYEHLBIATSH-FCOWATRHSA-N 2 1 349.563 3.314 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)C1 ZINC001121288321 1371923288 /nfs/dbraw/zinc/92/32/88/1371923288.db2.gz CFNXMXVIACHLHU-JSMKSKOISA-N 2 1 347.547 3.211 20 0 EGADMP CC1(C)C[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@](C)(CO)C1 ZINC001208930990 1371949396 /nfs/dbraw/zinc/94/93/96/1371949396.db2.gz GONOFWQLVGBJGR-FPOVZHCZSA-N 2 1 330.516 3.382 20 0 EGADMP CC1(C)C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@](C)(CO)C1 ZINC001208930990 1371949398 /nfs/dbraw/zinc/94/93/98/1371949398.db2.gz GONOFWQLVGBJGR-FPOVZHCZSA-N 2 1 330.516 3.382 20 0 EGADMP CC1(C)C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@](C)(CO)C1 ZINC001208930990 1371949400 /nfs/dbraw/zinc/94/94/00/1371949400.db2.gz GONOFWQLVGBJGR-FPOVZHCZSA-N 2 1 330.516 3.382 20 0 EGADMP CC1(C)C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@](C)(CO)C1 ZINC001208930990 1371949402 /nfs/dbraw/zinc/94/94/02/1371949402.db2.gz GONOFWQLVGBJGR-FPOVZHCZSA-N 2 1 330.516 3.382 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC4(C3)CCOCC4)C2)cc1 ZINC001208936213 1371951744 /nfs/dbraw/zinc/95/17/44/1371951744.db2.gz MRAYKRNZPPPXLR-HXUWFJFHSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCC4(C3)CCOCC4)C2)cc1 ZINC001208936213 1371951749 /nfs/dbraw/zinc/95/17/49/1371951749.db2.gz MRAYKRNZPPPXLR-HXUWFJFHSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCC4(C3)CCOCC4)C2)cc1 ZINC001208936213 1371951753 /nfs/dbraw/zinc/95/17/53/1371951753.db2.gz MRAYKRNZPPPXLR-HXUWFJFHSA-N 2 1 328.500 3.401 20 0 EGADMP Cc1noc([C@@H]2CC[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001208940474 1371953804 /nfs/dbraw/zinc/95/38/04/1371953804.db2.gz RZYBYPXKXQQCOY-RTBURBONSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1noc([C@@H]2CC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC001208940474 1371953839 /nfs/dbraw/zinc/95/38/39/1371953839.db2.gz RZYBYPXKXQQCOY-RTBURBONSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1noc([C@@H]2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC001208940474 1371953847 /nfs/dbraw/zinc/95/38/47/1371953847.db2.gz RZYBYPXKXQQCOY-RTBURBONSA-N 2 1 340.471 3.080 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@@H](Oc4cccnc4)C3)C2)cc1 ZINC001208948175 1371958932 /nfs/dbraw/zinc/95/89/32/1371958932.db2.gz FLNGYEKXPCIKAE-PZJWPPBQSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@@H](Oc4cccnc4)C3)C2)cc1 ZINC001208948175 1371958943 /nfs/dbraw/zinc/95/89/43/1371958943.db2.gz FLNGYEKXPCIKAE-PZJWPPBQSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@@H](Oc4cccnc4)C3)C2)cc1 ZINC001208948175 1371958955 /nfs/dbraw/zinc/95/89/55/1371958955.db2.gz FLNGYEKXPCIKAE-PZJWPPBQSA-N 2 1 337.467 3.057 20 0 EGADMP C[N@H+]1CCN(C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001208945831 1371958999 /nfs/dbraw/zinc/95/89/99/1371958999.db2.gz DUSRJGQLDJFUKE-GMAHTHKFSA-N 2 1 349.522 3.497 20 0 EGADMP C[NH+]1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001208945831 1371959004 /nfs/dbraw/zinc/95/90/04/1371959004.db2.gz DUSRJGQLDJFUKE-GMAHTHKFSA-N 2 1 349.522 3.497 20 0 EGADMP C[NH+]1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001208945831 1371959010 /nfs/dbraw/zinc/95/90/10/1371959010.db2.gz DUSRJGQLDJFUKE-GMAHTHKFSA-N 2 1 349.522 3.497 20 0 EGADMP CO[C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208953297 1371961184 /nfs/dbraw/zinc/96/11/84/1371961184.db2.gz ZWPQPBQULSJTKC-MXEMCNAFSA-N 2 1 328.500 3.255 20 0 EGADMP CO[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208953297 1371961188 /nfs/dbraw/zinc/96/11/88/1371961188.db2.gz ZWPQPBQULSJTKC-MXEMCNAFSA-N 2 1 328.500 3.255 20 0 EGADMP CO[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208953297 1371961191 /nfs/dbraw/zinc/96/11/91/1371961191.db2.gz ZWPQPBQULSJTKC-MXEMCNAFSA-N 2 1 328.500 3.255 20 0 EGADMP CC(C)[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001208962670 1371963649 /nfs/dbraw/zinc/96/36/49/1371963649.db2.gz KLXSOPARGAPGAE-HXUWFJFHSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001208962670 1371963652 /nfs/dbraw/zinc/96/36/52/1371963652.db2.gz KLXSOPARGAPGAE-HXUWFJFHSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001208962670 1371963655 /nfs/dbraw/zinc/96/36/55/1371963655.db2.gz KLXSOPARGAPGAE-HXUWFJFHSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001208962670 1371963658 /nfs/dbraw/zinc/96/36/58/1371963658.db2.gz KLXSOPARGAPGAE-HXUWFJFHSA-N 2 1 329.532 3.313 20 0 EGADMP C[NH+]1CCC(COc2c(F)cccc2NC2=CC[N@@H+](C)CC2)CC1 ZINC001208978585 1371967056 /nfs/dbraw/zinc/96/70/56/1371967056.db2.gz DQRAPEAHLZVWBP-UHFFFAOYSA-N 2 1 333.451 3.178 20 0 EGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](CCc1ccc(F)cc1Cl)CC2 ZINC001209113515 1372001878 /nfs/dbraw/zinc/00/18/78/1372001878.db2.gz LNTXTOHVNYMNHV-UHFFFAOYSA-N 2 1 339.842 3.152 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209133481 1372010169 /nfs/dbraw/zinc/01/01/69/1372010169.db2.gz FDOFBKFBKZSKNN-VMASUYHGSA-N 2 1 349.563 3.434 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001209141307 1372012238 /nfs/dbraw/zinc/01/22/38/1372012238.db2.gz NSRLLRSEWSBTLP-UHFFFAOYSA-N 2 1 341.540 3.440 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]CCCC(C)C)C2)C1 ZINC001209204759 1372037943 /nfs/dbraw/zinc/03/79/43/1372037943.db2.gz LISRHEZJWFQVJS-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](CC[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001326404141 1388178331 /nfs/dbraw/zinc/17/83/31/1388178331.db2.gz PBVKHBJMTDDTKV-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001209418078 1372100723 /nfs/dbraw/zinc/10/07/23/1372100723.db2.gz YADCTCCLUKKFKN-ZACQAIPSSA-N 2 1 334.529 3.459 20 0 EGADMP O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001326408264 1388179511 /nfs/dbraw/zinc/17/95/11/1388179511.db2.gz LJECKHAFCXJRHK-UHFFFAOYSA-N 2 1 347.422 3.115 20 0 EGADMP O=C1C[C@@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)CN1c1ccsc1 ZINC001209451231 1372109578 /nfs/dbraw/zinc/10/95/78/1372109578.db2.gz VIDGGMZIHKFLRC-LJQANCHMSA-N 2 1 347.528 3.053 20 0 EGADMP Cc1ccc2nc(C3CC[NH+](CCC[NH+]4CCCCC4)CC3)nn2c1 ZINC001209449655 1372109698 /nfs/dbraw/zinc/10/96/98/1372109698.db2.gz BORNKVIZICEWOH-UHFFFAOYSA-N 2 1 341.503 3.093 20 0 EGADMP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209452230 1372109957 /nfs/dbraw/zinc/10/99/57/1372109957.db2.gz ILAOLDPSVXNZIM-LJQANCHMSA-N 2 1 336.520 3.308 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001209509512 1372124293 /nfs/dbraw/zinc/12/42/93/1372124293.db2.gz JSZOYAMOMQUDHX-NRFANRHFSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001209509512 1372124299 /nfs/dbraw/zinc/12/42/99/1372124299.db2.gz JSZOYAMOMQUDHX-NRFANRHFSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001209509512 1372124303 /nfs/dbraw/zinc/12/43/03/1372124303.db2.gz JSZOYAMOMQUDHX-NRFANRHFSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001209509512 1372124308 /nfs/dbraw/zinc/12/43/08/1372124308.db2.gz JSZOYAMOMQUDHX-NRFANRHFSA-N 2 1 341.499 3.491 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC1CC2(C1)CC([NH2+]C(C)C)C2)c1ccccc1 ZINC001122056778 1372164561 /nfs/dbraw/zinc/16/45/61/1372164561.db2.gz RMEKAZKAWGGEKZ-FCOWATRHSA-N 2 1 343.515 3.105 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209931906 1372234704 /nfs/dbraw/zinc/23/47/04/1372234704.db2.gz OAFQMQCANRMPHJ-DUMMIQTOSA-N 2 1 346.519 3.334 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210041143 1372261621 /nfs/dbraw/zinc/26/16/21/1372261621.db2.gz QEPQKZSLCWDOAR-ATZDWAIDSA-N 2 1 349.494 3.055 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210041143 1372261626 /nfs/dbraw/zinc/26/16/26/1372261626.db2.gz QEPQKZSLCWDOAR-ATZDWAIDSA-N 2 1 349.494 3.055 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210041143 1372261630 /nfs/dbraw/zinc/26/16/30/1372261630.db2.gz QEPQKZSLCWDOAR-ATZDWAIDSA-N 2 1 349.494 3.055 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001210133262 1372278098 /nfs/dbraw/zinc/27/80/98/1372278098.db2.gz NYDLBEYGDBHKAN-LJQANCHMSA-N 2 1 344.503 3.053 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210178882 1372289406 /nfs/dbraw/zinc/28/94/06/1372289406.db2.gz DQBUATLGKBTRRE-CNQOUZKXSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001210178882 1372289411 /nfs/dbraw/zinc/28/94/11/1372289411.db2.gz DQBUATLGKBTRRE-CNQOUZKXSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001210178882 1372289414 /nfs/dbraw/zinc/28/94/14/1372289414.db2.gz DQBUATLGKBTRRE-CNQOUZKXSA-N 2 1 349.563 3.434 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001210183258 1372289657 /nfs/dbraw/zinc/28/96/57/1372289657.db2.gz MLLCYTVDIMUIHY-FQEVSTJZSA-N 2 1 345.531 3.279 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCCCCF)C1 ZINC001210183727 1372290597 /nfs/dbraw/zinc/29/05/97/1372290597.db2.gz RGYOZSYPIZETDK-SFHVURJKSA-N 2 1 343.531 3.219 20 0 EGADMP Clc1c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cnc2ccccc21 ZINC001210262605 1372308735 /nfs/dbraw/zinc/30/87/35/1372308735.db2.gz IUEIUPRCEZWLMK-UHFFFAOYSA-N 2 1 339.830 3.436 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426196 1372350517 /nfs/dbraw/zinc/35/05/17/1372350517.db2.gz CARCHVFCPICGNH-IEBWSBKVSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001210788366 1372426737 /nfs/dbraw/zinc/42/67/37/1372426737.db2.gz CDKOMLSTURMJJK-CTWPCTMYSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001210796749 1372427847 /nfs/dbraw/zinc/42/78/47/1372427847.db2.gz JIPVYKPSGJHUEB-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP CCCc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)cc1 ZINC001210811433 1372431281 /nfs/dbraw/zinc/43/12/81/1372431281.db2.gz NXKCRMPOJIFNDG-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1)c1ccccc1 ZINC001211269979 1372517497 /nfs/dbraw/zinc/51/74/97/1372517497.db2.gz WPLWERFEHCAXQC-RTBURBONSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1)c1ccc(F)cc1 ZINC001211286477 1372521147 /nfs/dbraw/zinc/52/11/47/1372521147.db2.gz UWDHTMMTJHDZNV-RBUKOAKNSA-N 2 1 349.494 3.198 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211366852 1372541516 /nfs/dbraw/zinc/54/15/16/1372541516.db2.gz LZQQMSXHZLHYKF-VJQBDMSCSA-N 2 1 349.563 3.290 20 0 EGADMP C[NH+]1CCN(c2cccc(Nc3cc[nH+]cc3C(F)(F)F)c2)CC1 ZINC001212709489 1372758151 /nfs/dbraw/zinc/75/81/51/1372758151.db2.gz WJAYQAIHFHORGO-UHFFFAOYSA-N 2 1 336.361 3.018 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855224 1373130099 /nfs/dbraw/zinc/13/00/99/1373130099.db2.gz AJTKDEOXCJGJSP-AHRSYUTCSA-N 2 1 349.563 3.266 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001214990441 1373152925 /nfs/dbraw/zinc/15/29/25/1373152925.db2.gz PNFOKARJADKOFW-IIDMSEBBSA-N 2 1 349.494 3.054 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001128774585 1373310411 /nfs/dbraw/zinc/31/04/11/1373310411.db2.gz UPFHVNCEFZNDPZ-LJQANCHMSA-N 2 1 345.531 3.064 20 0 EGADMP CC[C@@H]([NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001129422428 1373382632 /nfs/dbraw/zinc/38/26/32/1373382632.db2.gz IKKOMFVRUIMGOZ-RBUKOAKNSA-N 2 1 331.504 3.106 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001129532266 1373394648 /nfs/dbraw/zinc/39/46/48/1373394648.db2.gz XQTIPLWAIVEYHP-INIZCTEOSA-N 2 1 331.504 3.061 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001129840004 1373427897 /nfs/dbraw/zinc/42/78/97/1373427897.db2.gz DFUACGORBAONSO-FQEVSTJZSA-N 2 1 343.515 3.034 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205441 1388264077 /nfs/dbraw/zinc/26/40/77/1388264077.db2.gz LXOORDNYIDBJAX-PTWHKANQSA-N 2 1 347.547 3.138 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001188205441 1388264078 /nfs/dbraw/zinc/26/40/78/1388264078.db2.gz LXOORDNYIDBJAX-PTWHKANQSA-N 2 1 347.547 3.138 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001188205441 1388264084 /nfs/dbraw/zinc/26/40/84/1388264084.db2.gz LXOORDNYIDBJAX-PTWHKANQSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001130299770 1373487845 /nfs/dbraw/zinc/48/78/45/1373487845.db2.gz CKGCPNAGNNYNFW-QFBILLFUSA-N 2 1 331.504 3.061 20 0 EGADMP [NH3+][C@@H](c1nnc(-c2ccc(-c3ccccc3)cc2)o1)C1CC[NH2+]CC1 ZINC001217733013 1373496413 /nfs/dbraw/zinc/49/64/13/1373496413.db2.gz MDKFWSBPUQROTJ-GOSISDBHSA-N 2 1 334.423 3.403 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CO[C@@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC001217813757 1373503953 /nfs/dbraw/zinc/50/39/53/1373503953.db2.gz NOIHZFXNUZGQPN-JSXRDJHFSA-N 2 1 328.500 3.303 20 0 EGADMP C[C@@H]1C[C@H](Oc2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC[NH2+]1 ZINC001218051302 1373547943 /nfs/dbraw/zinc/54/79/43/1373547943.db2.gz XPJKCMXIJKCRBU-VQIMIIECSA-N 2 1 337.467 3.159 20 0 EGADMP C[C@@H]1C[C@H](Oc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC[NH2+]1 ZINC001218051302 1373547948 /nfs/dbraw/zinc/54/79/48/1373547948.db2.gz XPJKCMXIJKCRBU-VQIMIIECSA-N 2 1 337.467 3.159 20 0 EGADMP C[C@H]1C[C@@H](Oc2ccc3c(n2)C[N@@H+](Cc2ccccc2)CC3)CC[NH2+]1 ZINC001218057449 1373549762 /nfs/dbraw/zinc/54/97/62/1373549762.db2.gz RQEWRPUKVAGZBX-LPHOPBHVSA-N 2 1 337.467 3.159 20 0 EGADMP C[C@H]1C[C@@H](Oc2ccc3c(n2)C[N@H+](Cc2ccccc2)CC3)CC[NH2+]1 ZINC001218057449 1373549765 /nfs/dbraw/zinc/54/97/65/1373549765.db2.gz RQEWRPUKVAGZBX-LPHOPBHVSA-N 2 1 337.467 3.159 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]CC1CCCCCC1 ZINC001130622751 1373571740 /nfs/dbraw/zinc/57/17/40/1373571740.db2.gz YYHDLQJNLWCODX-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP CC[C@]1(c2cccc(O[C@@H]3CC[NH2+]CC(=O)C3)c2)CCCC[N@H+](C)C1 ZINC001218196411 1373576633 /nfs/dbraw/zinc/57/66/33/1373576633.db2.gz YFLSFXLTMULBJN-RTWAWAEBSA-N 2 1 344.499 3.150 20 0 EGADMP CC[C@]1(c2cccc(O[C@@H]3CC[NH2+]CC(=O)C3)c2)CCCC[N@@H+](C)C1 ZINC001218196411 1373576646 /nfs/dbraw/zinc/57/66/46/1373576646.db2.gz YFLSFXLTMULBJN-RTWAWAEBSA-N 2 1 344.499 3.150 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001130711449 1373583316 /nfs/dbraw/zinc/58/33/16/1373583316.db2.gz VPLBEKBUBDSFMQ-GOSISDBHSA-N 2 1 337.552 3.029 20 0 EGADMP CC[C@@]1(c2cccc(OC[C@@H]3C[NH2+]CCCO3)c2)CCCC[N@@H+](C)C1 ZINC001218301180 1373590944 /nfs/dbraw/zinc/59/09/44/1373590944.db2.gz ZAYFGOXDUIHNGU-LEWJYISDSA-N 2 1 346.515 3.207 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848187 1373797997 /nfs/dbraw/zinc/79/79/97/1373797997.db2.gz DBTRSLZIMCIAEJ-HPFJUIBNSA-N 2 1 347.547 3.138 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221848187 1373798001 /nfs/dbraw/zinc/79/80/01/1373798001.db2.gz DBTRSLZIMCIAEJ-HPFJUIBNSA-N 2 1 347.547 3.138 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221848187 1373798007 /nfs/dbraw/zinc/79/80/07/1373798007.db2.gz DBTRSLZIMCIAEJ-HPFJUIBNSA-N 2 1 347.547 3.138 20 0 EGADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@@H+](CC3CCCCCC3)C[C@H]21 ZINC001221962397 1373809196 /nfs/dbraw/zinc/80/91/96/1373809196.db2.gz BBUWJCAKYWOLAR-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP c1cc2c(cc1C[N@H+]1CCCC[C@]3(CCCC[NH2+]C3)C1)C[NH2+]CC2 ZINC001222173553 1373819365 /nfs/dbraw/zinc/81/93/65/1373819365.db2.gz UZKRFZKWGZGUTA-NRFANRHFSA-N 3 1 327.516 3.078 20 0 EGADMP c1cc2c(cc1CN1CCCC[C@]3(CCCC[NH2+]C3)C1)C[NH2+]CC2 ZINC001222173553 1373819370 /nfs/dbraw/zinc/81/93/70/1373819370.db2.gz UZKRFZKWGZGUTA-NRFANRHFSA-N 2 1 327.516 3.078 20 0 EGADMP c1ccc(C2(C[N@H+]3CCOCC4(CC[NH2+]CC4)C3)CCCC2)cc1 ZINC001222400913 1373838961 /nfs/dbraw/zinc/83/89/61/1373838961.db2.gz NFRKQKJDSRZHGO-UHFFFAOYSA-N 2 1 328.500 3.200 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188562089 1388331430 /nfs/dbraw/zinc/33/14/30/1388331430.db2.gz NEBNKWBVUHSWJH-QFBILLFUSA-N 2 1 340.471 3.061 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001223954766 1375048569 /nfs/dbraw/zinc/04/85/69/1375048569.db2.gz CEJWUTBTKMOGHC-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC[NH+](C/C=C/Cl)CC1 ZINC001224884393 1375082004 /nfs/dbraw/zinc/08/20/04/1375082004.db2.gz QXRTYZCSJLMQAE-JXMROGBWSA-N 2 1 343.943 3.079 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC[NH+](C[C@@H](C)CC)CC1 ZINC001224884133 1375082213 /nfs/dbraw/zinc/08/22/13/1375082213.db2.gz OTMULLWJBBYPDD-SFHVURJKSA-N 2 1 339.568 3.373 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@H+]1CC1CCC1 ZINC001132141596 1375167758 /nfs/dbraw/zinc/16/77/58/1375167758.db2.gz SKEHNWZYJJDHTI-SJLPKXTDSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[NH+]1CC1CCC1 ZINC001132141596 1375167761 /nfs/dbraw/zinc/16/77/61/1375167761.db2.gz SKEHNWZYJJDHTI-SJLPKXTDSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[NH+]1CC1CCC1 ZINC001132141596 1375167763 /nfs/dbraw/zinc/16/77/63/1375167763.db2.gz SKEHNWZYJJDHTI-SJLPKXTDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132152337 1375171735 /nfs/dbraw/zinc/17/17/35/1375171735.db2.gz ADCJWMCKGXOFJE-FUHWJXTLSA-N 2 1 342.487 3.353 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(C)cc2)C1 ZINC001132154060 1375174201 /nfs/dbraw/zinc/17/42/01/1375174201.db2.gz WONXLYPNCPXWMZ-HKUYNNGSSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C)cc2)C1 ZINC001132154060 1375174203 /nfs/dbraw/zinc/17/42/03/1375174203.db2.gz WONXLYPNCPXWMZ-HKUYNNGSSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)cc2)C1 ZINC001132154060 1375174204 /nfs/dbraw/zinc/17/42/04/1375174204.db2.gz WONXLYPNCPXWMZ-HKUYNNGSSA-N 2 1 345.531 3.194 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@H+]1CCC1CC1 ZINC001132203379 1375206848 /nfs/dbraw/zinc/20/68/48/1375206848.db2.gz PHDWPBACOYUPKP-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001226170215 1375214530 /nfs/dbraw/zinc/21/45/30/1375214530.db2.gz DLMUHRDZNDXTIT-GUDVDZBRSA-N 2 1 337.552 3.457 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CC1CCC2(CC2)CC1 ZINC001132270955 1375258480 /nfs/dbraw/zinc/25/84/80/1375258480.db2.gz XXCXCBXKQCTLHZ-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@H+]1CC1=CCCCC1 ZINC001132311314 1375290566 /nfs/dbraw/zinc/29/05/66/1375290566.db2.gz SRILVZUORMDGBA-MJGOQNOKSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[NH+]1CC1=CCCCC1 ZINC001132311314 1375290567 /nfs/dbraw/zinc/29/05/67/1375290567.db2.gz SRILVZUORMDGBA-MJGOQNOKSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[NH+]1CC1=CCCCC1 ZINC001132311314 1375290569 /nfs/dbraw/zinc/29/05/69/1375290569.db2.gz SRILVZUORMDGBA-MJGOQNOKSA-N 2 1 349.563 3.434 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132366070 1375331126 /nfs/dbraw/zinc/33/11/26/1375331126.db2.gz VVLQGABALZVMTI-AEFFLSMTSA-N 2 1 334.508 3.131 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132366070 1375331131 /nfs/dbraw/zinc/33/11/31/1375331131.db2.gz VVLQGABALZVMTI-AEFFLSMTSA-N 2 1 334.508 3.131 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](C/C=C/c2ccccc2)C1 ZINC001132368022 1375332181 /nfs/dbraw/zinc/33/21/81/1375332181.db2.gz HXTFAGFMRMARGI-CQOFWLJFSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](C/C=C\c2ccccc2)C1 ZINC001132368023 1375333023 /nfs/dbraw/zinc/33/30/23/1375333023.db2.gz HXTFAGFMRMARGI-GBOJCQPWSA-N 2 1 343.515 3.011 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cc(C)ccc2C)C1 ZINC001132409672 1375358699 /nfs/dbraw/zinc/35/86/99/1375358699.db2.gz COZBIGOKSDVCMQ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C)ccc2C)C1 ZINC001132409672 1375358704 /nfs/dbraw/zinc/35/87/04/1375358704.db2.gz COZBIGOKSDVCMQ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001132409672 1375358711 /nfs/dbraw/zinc/35/87/11/1375358711.db2.gz COZBIGOKSDVCMQ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CCC2CCCC2)C1 ZINC001132436788 1375381795 /nfs/dbraw/zinc/38/17/95/1375381795.db2.gz OHUWIUYYKSPYIK-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2CCCC2)C1 ZINC001132436788 1375381801 /nfs/dbraw/zinc/38/18/01/1375381801.db2.gz OHUWIUYYKSPYIK-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC2CCCC2)C1 ZINC001132436788 1375381804 /nfs/dbraw/zinc/38/18/04/1375381804.db2.gz OHUWIUYYKSPYIK-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(CC)cc2)C1 ZINC001132440773 1375384374 /nfs/dbraw/zinc/38/43/74/1375384374.db2.gz FPPIMIILDDWHLA-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(CC)cc2)C1 ZINC001132440773 1375384386 /nfs/dbraw/zinc/38/43/86/1375384386.db2.gz FPPIMIILDDWHLA-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(CC)cc2)C1 ZINC001132440773 1375384391 /nfs/dbraw/zinc/38/43/91/1375384391.db2.gz FPPIMIILDDWHLA-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001132441201 1375385352 /nfs/dbraw/zinc/38/53/52/1375385352.db2.gz LZTLEHXWYJDRTJ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132441201 1375385357 /nfs/dbraw/zinc/38/53/57/1375385357.db2.gz LZTLEHXWYJDRTJ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132441201 1375385363 /nfs/dbraw/zinc/38/53/63/1375385363.db2.gz LZTLEHXWYJDRTJ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132441267 1375385724 /nfs/dbraw/zinc/38/57/24/1375385724.db2.gz MSMOSLKWXBPJJW-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001132441267 1375385726 /nfs/dbraw/zinc/38/57/26/1375385726.db2.gz MSMOSLKWXBPJJW-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001132441267 1375385728 /nfs/dbraw/zinc/38/57/28/1375385728.db2.gz MSMOSLKWXBPJJW-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001227090917 1375388666 /nfs/dbraw/zinc/38/86/66/1375388666.db2.gz IDIJUIBXSOWECT-UWCDRFHNSA-N 2 1 335.536 3.234 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC001227150640 1375397444 /nfs/dbraw/zinc/39/74/44/1375397444.db2.gz XAACDEFRPXLRTM-QZTJIDSGSA-N 2 1 349.494 3.073 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132492116 1375423268 /nfs/dbraw/zinc/42/32/68/1375423268.db2.gz CKVSQKYAMOPWPC-RTBURBONSA-N 2 1 337.552 3.412 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132524498 1375440421 /nfs/dbraw/zinc/44/04/21/1375440421.db2.gz HYFXZRPIEWBFSV-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001132524439 1375440848 /nfs/dbraw/zinc/44/08/48/1375440848.db2.gz GZDNCHVNDVJCRG-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP CC/C=C/CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001227791732 1375475144 /nfs/dbraw/zinc/47/51/44/1375475144.db2.gz GBUGHBGNVOTHTM-YADGQWAMSA-N 2 1 347.547 3.330 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001227875811 1375484626 /nfs/dbraw/zinc/48/46/26/1375484626.db2.gz ABAXGDLYGVCDPN-FQEVSTJZSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001132738268 1375538467 /nfs/dbraw/zinc/53/84/67/1375538467.db2.gz XWEIHIVTGIGUQG-GOSISDBHSA-N 2 1 337.552 3.031 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+]CCC2CCCCCC2)C1 ZINC001132738886 1375539243 /nfs/dbraw/zinc/53/92/43/1375539243.db2.gz KHJJTPOCBGHKSV-LJQANCHMSA-N 2 1 337.552 3.175 20 0 EGADMP C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C[NH2+]CCC1CCCC1 ZINC001132887207 1375625703 /nfs/dbraw/zinc/62/57/03/1375625703.db2.gz CUFVKUMMPGHBEN-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132938621 1375657392 /nfs/dbraw/zinc/65/73/92/1375657392.db2.gz WODKGNKVJQGUIB-FUHWJXTLSA-N 2 1 339.568 3.227 20 0 EGADMP CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132941210 1375660762 /nfs/dbraw/zinc/66/07/62/1375660762.db2.gz HZCQAIYHJSGSIV-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC2)cc1 ZINC001327129021 1388393157 /nfs/dbraw/zinc/39/31/57/1388393157.db2.gz FJOCODNKKUHHTF-UXHICEINSA-N 2 1 345.531 3.052 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001228869624 1375699640 /nfs/dbraw/zinc/69/96/40/1375699640.db2.gz VAGLIJQDVLSICM-IAGOWNOFSA-N 2 1 334.508 3.070 20 0 EGADMP CC[C@@H](c1cccc(O[C@H](C)C[NH+]2CCOCC2)c1)[C@@H](C)C[NH+](C)C ZINC001228898921 1375708511 /nfs/dbraw/zinc/70/85/11/1375708511.db2.gz LOCBKQAPCBSPTO-WAOWUJCRSA-N 2 1 348.531 3.477 20 0 EGADMP CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133012697 1375711321 /nfs/dbraw/zinc/71/13/21/1375711321.db2.gz UNGSBXVUKGOEAA-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC1CC[NH+](CCCC2CCC2)CC1 ZINC001229616387 1375865457 /nfs/dbraw/zinc/86/54/57/1375865457.db2.gz JTCIVRSQGVBTCS-UHFFFAOYSA-N 2 1 346.519 3.133 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C(C)C)c1ccccc1 ZINC001229652950 1375872379 /nfs/dbraw/zinc/87/23/79/1375872379.db2.gz UFBZFHIOZWYQOY-QRVBRYPASA-N 2 1 331.504 3.105 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133274860 1375889742 /nfs/dbraw/zinc/88/97/42/1375889742.db2.gz NJBNIEGKZSOUOC-FAPWYTRCSA-N 2 1 337.552 3.149 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1F ZINC001229852043 1375904603 /nfs/dbraw/zinc/90/46/03/1375904603.db2.gz CSLJMDFWUYZASI-RTBURBONSA-N 2 1 349.494 3.075 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592033 1376089555 /nfs/dbraw/zinc/08/95/55/1376089555.db2.gz QCJNWGAPPFMTTK-RRFGBZISSA-N 2 1 349.563 3.388 20 0 EGADMP Fc1ccc(OC2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)nc1 ZINC001232018434 1376386060 /nfs/dbraw/zinc/38/60/60/1376386060.db2.gz LDQYAJIRUMPVKS-UHFFFAOYSA-N 2 1 326.375 3.140 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC001232145792 1376408243 /nfs/dbraw/zinc/40/82/43/1376408243.db2.gz ATMADWCYQAGIAF-MRXNPFEDSA-N 2 1 336.451 3.051 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1 ZINC001232145214 1376409335 /nfs/dbraw/zinc/40/93/35/1376409335.db2.gz YLOXBZNYMYGHFE-UKRRQHHQSA-N 2 1 336.348 3.467 20 0 EGADMP C[NH+]1CCC(C2CC[NH+](Cc3nc(Cl)ccc3F)CC2)CC1 ZINC001232158959 1376410889 /nfs/dbraw/zinc/41/08/89/1376410889.db2.gz CDKAIDJMJFQRBF-UHFFFAOYSA-N 2 1 325.859 3.428 20 0 EGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccnc3c(F)cccc23)CC1 ZINC001232213197 1376418213 /nfs/dbraw/zinc/41/82/13/1376418213.db2.gz QWRSBDNDOZSQKE-UHFFFAOYSA-N 2 1 336.414 3.400 20 0 EGADMP CC[C@]1(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]C1 ZINC001327207345 1388443868 /nfs/dbraw/zinc/44/38/68/1388443868.db2.gz XSTLLHWTXJISIM-JXFKEZNVSA-N 2 1 329.488 3.389 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001134723349 1376679099 /nfs/dbraw/zinc/67/90/99/1376679099.db2.gz DXCZNOMBFZJOGE-KRWDZBQOSA-N 2 1 342.487 3.172 20 0 EGADMP Cc1cc(C[N@H+]2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)sc1C ZINC001233675056 1376693606 /nfs/dbraw/zinc/69/36/06/1376693606.db2.gz LJTHSDWSASCLMY-QZTJIDSGSA-N 2 1 344.528 3.052 20 0 EGADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)sc1C ZINC001233675056 1376693612 /nfs/dbraw/zinc/69/36/12/1376693612.db2.gz LJTHSDWSASCLMY-QZTJIDSGSA-N 2 1 344.528 3.052 20 0 EGADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)sc1C ZINC001233675056 1376693616 /nfs/dbraw/zinc/69/36/16/1376693616.db2.gz LJTHSDWSASCLMY-QZTJIDSGSA-N 2 1 344.528 3.052 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)sc1C ZINC001233675056 1376693619 /nfs/dbraw/zinc/69/36/19/1376693619.db2.gz LJTHSDWSASCLMY-QZTJIDSGSA-N 2 1 344.528 3.052 20 0 EGADMP Cc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)sc1C ZINC001233675056 1376693622 /nfs/dbraw/zinc/69/36/22/1376693622.db2.gz LJTHSDWSASCLMY-QZTJIDSGSA-N 2 1 344.528 3.052 20 0 EGADMP CC[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)c1ccc(F)cc1 ZINC001134766210 1376709525 /nfs/dbraw/zinc/70/95/25/1376709525.db2.gz DXFIYDBOYPGNOY-RBUKOAKNSA-N 2 1 349.494 3.246 20 0 EGADMP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001134767310 1376709847 /nfs/dbraw/zinc/70/98/47/1376709847.db2.gz VOMAJRVNHPYVTR-OALUTQOASA-N 2 1 331.504 3.106 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001134773179 1376713595 /nfs/dbraw/zinc/71/35/95/1376713595.db2.gz NAJHSLXDYPIKMH-IRXDYDNUSA-N 2 1 333.520 3.098 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCCCC1 ZINC001134774534 1376714031 /nfs/dbraw/zinc/71/40/31/1376714031.db2.gz ZFRFLJXMQVKQSM-JKSUJKDBSA-N 2 1 325.541 3.170 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCCC(C)C)C[C@H]21)[NH+](CC)CC ZINC001189111373 1388461529 /nfs/dbraw/zinc/46/15/29/1388461529.db2.gz YYRAJDCKJXDOQV-IPMKNSEASA-N 2 1 337.552 3.076 20 0 EGADMP FC(F)C(F)(F)Oc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235032505 1376831712 /nfs/dbraw/zinc/83/17/12/1376831712.db2.gz LVRJSLHBMLAVSD-HNNXBMFYSA-N 2 1 332.341 3.109 20 0 EGADMP FC(F)C(F)(F)Oc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235032505 1376831715 /nfs/dbraw/zinc/83/17/15/1376831715.db2.gz LVRJSLHBMLAVSD-HNNXBMFYSA-N 2 1 332.341 3.109 20 0 EGADMP COc1cc(OC)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC001235036171 1376834811 /nfs/dbraw/zinc/83/48/11/1376834811.db2.gz JDSGLDSQHOHZMK-FQEVSTJZSA-N 2 1 326.440 3.042 20 0 EGADMP COc1cc(OC)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC001235036171 1376834821 /nfs/dbraw/zinc/83/48/21/1376834821.db2.gz JDSGLDSQHOHZMK-FQEVSTJZSA-N 2 1 326.440 3.042 20 0 EGADMP COc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc2c1OCC=C2 ZINC001235037245 1376836693 /nfs/dbraw/zinc/83/66/93/1376836693.db2.gz DPNALUKNGZJTDJ-HXUWFJFHSA-N 2 1 328.456 3.209 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc2c1OCC=C2 ZINC001235037245 1376836695 /nfs/dbraw/zinc/83/66/95/1376836695.db2.gz DPNALUKNGZJTDJ-HXUWFJFHSA-N 2 1 328.456 3.209 20 0 EGADMP c1ccc(N2CCCC2)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235429175 1376869572 /nfs/dbraw/zinc/86/95/72/1376869572.db2.gz PVCRXVWNOVUHFO-RTBURBONSA-N 2 1 327.516 3.498 20 0 EGADMP Clc1cccc2ncc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n21 ZINC001235430058 1376871397 /nfs/dbraw/zinc/87/13/97/1376871397.db2.gz WGSLEPNTMYAMIZ-CABCVRRESA-N 2 1 332.879 3.199 20 0 EGADMP Cn1ccc(-c2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2)n1 ZINC001235430637 1376871627 /nfs/dbraw/zinc/87/16/27/1376871627.db2.gz KDOOIYJQIIAISD-UXHICEINSA-N 2 1 338.499 3.299 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)cc1 ZINC001135095835 1376893340 /nfs/dbraw/zinc/89/33/40/1376893340.db2.gz SKXGNDBKFCBTFH-PMACEKPBSA-N 2 1 343.515 3.033 20 0 EGADMP c1ccc(CN2CC[C@H]([N@@H+](CCC3C[NH2+]C3)Cc3ccccc3)C2)cc1 ZINC001235947396 1376922780 /nfs/dbraw/zinc/92/27/80/1376922780.db2.gz BBHADUJVBQCZOH-QHCPKHFHSA-N 2 1 349.522 3.373 20 0 EGADMP CCC[N@H+](Cc1c2ccccc2[nH]c1C(=O)OCC)C1CC[NH2+]CC1 ZINC001236182309 1376939893 /nfs/dbraw/zinc/93/98/93/1376939893.db2.gz JXGGWUKKZBGXBZ-UHFFFAOYSA-N 2 1 343.471 3.309 20 0 EGADMP CCC[N@@H+](Cc1c2ccccc2[nH]c1C(=O)OCC)C1CC[NH2+]CC1 ZINC001236182309 1376939904 /nfs/dbraw/zinc/93/99/04/1376939904.db2.gz JXGGWUKKZBGXBZ-UHFFFAOYSA-N 2 1 343.471 3.309 20 0 EGADMP c1ccc(-c2[nH]c3ccccc3c2C[N@H+]2CC[C@@]3(C2)CNCCO3)cc1 ZINC001237140937 1376977083 /nfs/dbraw/zinc/97/70/83/1376977083.db2.gz CQFJAVBEPWOXNE-QFIPXVFZSA-N 2 1 347.462 3.399 20 0 EGADMP CCCC[C@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCCC(C)C)CC[NH2+]1 ZINC001246291469 1377051183 /nfs/dbraw/zinc/05/11/83/1377051183.db2.gz HBOQSOANQAXFAJ-FHWLQOOXSA-N 2 1 339.568 3.464 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C[C@@H](c2ccc(Cl)cc2Cl)N(C)C)CC[NH2+]1 ZINC001246297720 1377051225 /nfs/dbraw/zinc/05/12/25/1377051225.db2.gz XJVKNASUZJJTKD-RBOXIYTFSA-N 2 1 330.303 3.326 20 0 EGADMP Cc1ccc(C[N@H+]2CCCC3(CCN([C@@H]4CCC[NH2+]C4)CC3)C2)cc1 ZINC001246748579 1377054455 /nfs/dbraw/zinc/05/44/55/1377054455.db2.gz YZLTYRDEAOLTSB-OAQYLSRUSA-N 2 1 341.543 3.425 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1)C2 ZINC001246938176 1377055637 /nfs/dbraw/zinc/05/56/37/1377055637.db2.gz RQOZHPIPTSYJJB-JSXRDJHFSA-N 2 1 345.506 3.395 20 0 EGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cncn2Cc2ccc(Cl)cc2)CC1 ZINC001254510322 1377105845 /nfs/dbraw/zinc/10/58/45/1377105845.db2.gz MHSZKDSXYJEXEN-QGZVFWFLSA-N 2 1 332.879 3.159 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cncn2Cc2ccc(Cl)cc2)CC1 ZINC001254510322 1377105849 /nfs/dbraw/zinc/10/58/49/1377105849.db2.gz MHSZKDSXYJEXEN-QGZVFWFLSA-N 2 1 332.879 3.159 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1)[NH2+]CCC1=CCCCC1 ZINC001135475552 1377110314 /nfs/dbraw/zinc/11/03/14/1377110314.db2.gz CEFMXAZREWEKSC-MSOLQXFVSA-N 2 1 349.563 3.482 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CCC1CCCC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477152 1377111096 /nfs/dbraw/zinc/11/10/96/1377111096.db2.gz RMCRPIYLWYLAIU-IAGOWNOFSA-N 2 1 337.552 3.172 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CCCC1CCC1 ZINC001135480357 1377112051 /nfs/dbraw/zinc/11/20/51/1377112051.db2.gz BDNDHJRVKVJSBX-SJORKVTESA-N 2 1 339.568 3.418 20 0 EGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC001258639383 1377118533 /nfs/dbraw/zinc/11/85/33/1377118533.db2.gz AKOBJGUUKXXCID-IBGZPJMESA-N 2 1 343.515 3.144 20 0 EGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC001258639383 1377118537 /nfs/dbraw/zinc/11/85/37/1377118537.db2.gz AKOBJGUUKXXCID-IBGZPJMESA-N 2 1 343.515 3.144 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccsc1 ZINC001135584267 1377155062 /nfs/dbraw/zinc/15/50/62/1377155062.db2.gz MFMNKCIBRDMCPD-LSDHHAIUSA-N 2 1 348.516 3.141 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(C)(C)C ZINC001135583781 1377155065 /nfs/dbraw/zinc/15/50/65/1377155065.db2.gz FLKKTTBSWDHFPF-HOTGVXAUSA-N 2 1 336.524 3.316 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001135584163 1377155191 /nfs/dbraw/zinc/15/51/91/1377155191.db2.gz LBEWEMGXXGXZEH-JKSUJKDBSA-N 2 1 348.535 3.316 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1 ZINC001135586200 1377155638 /nfs/dbraw/zinc/15/56/38/1377155638.db2.gz YQMUGJFWUJEUFD-IAGOWNOFSA-N 2 1 342.487 3.080 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CCCC1 ZINC001135679569 1377182189 /nfs/dbraw/zinc/18/21/89/1377182189.db2.gz NQOUUZNHBNZLLE-SJORKVTESA-N 2 1 348.535 3.425 20 0 EGADMP Cc1ccc(C[NH+]2CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)cc1 ZINC001266240331 1377242780 /nfs/dbraw/zinc/24/27/80/1377242780.db2.gz SSVUABQJXGQOCX-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)cc1 ZINC001266240331 1377242787 /nfs/dbraw/zinc/24/27/87/1377242787.db2.gz SSVUABQJXGQOCX-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)cc1 ZINC001266240331 1377242788 /nfs/dbraw/zinc/24/27/88/1377242788.db2.gz SSVUABQJXGQOCX-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1cc(C)cc(C[NH+](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001266332062 1377277159 /nfs/dbraw/zinc/27/71/59/1377277159.db2.gz ATVMUWZHDJLXJR-HXUWFJFHSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1cc(C)cc(C[N@@H+](C)CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)c1 ZINC001266332062 1377277160 /nfs/dbraw/zinc/27/71/60/1377277160.db2.gz ATVMUWZHDJLXJR-HXUWFJFHSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1cc(C)cc(C[N@H+](C)CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)c1 ZINC001266332062 1377277161 /nfs/dbraw/zinc/27/71/61/1377277161.db2.gz ATVMUWZHDJLXJR-HXUWFJFHSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001135975967 1377284669 /nfs/dbraw/zinc/28/46/69/1377284669.db2.gz FTSLZVCDDVODKR-STQMWFEESA-N 2 1 345.940 3.116 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001135980275 1377285885 /nfs/dbraw/zinc/28/58/85/1377285885.db2.gz MOVADUUYJGBBFN-IRXDYDNUSA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CCCC1 ZINC001135995992 1377292258 /nfs/dbraw/zinc/29/22/58/1377292258.db2.gz PENXELNBNBIXLS-IRXDYDNUSA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC001136473376 1377396541 /nfs/dbraw/zinc/39/65/41/1377396541.db2.gz KXQIUKAKMLKUHD-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C1CCC([NH+]2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001137176555 1377491320 /nfs/dbraw/zinc/49/13/20/1377491320.db2.gz XKYWZUMTOCQYTG-VCWRXUFXSA-N 2 1 349.563 3.218 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC001137182886 1377492527 /nfs/dbraw/zinc/49/25/27/1377492527.db2.gz GYIUXAVAAPNDEW-UHFFFAOYSA-N 2 1 348.450 3.383 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2nc3ccccn3c2C)CC1 ZINC001137269504 1377507414 /nfs/dbraw/zinc/50/74/14/1377507414.db2.gz PRNWBXXIEZTJBF-UHFFFAOYSA-N 2 1 335.455 3.085 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(Cl)nc2F)CC1 ZINC001137472603 1377553932 /nfs/dbraw/zinc/55/39/32/1377553932.db2.gz GAXMTLHTUAPGSR-UHFFFAOYSA-N 2 1 334.826 3.317 20 0 EGADMP CCCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001270125368 1377595033 /nfs/dbraw/zinc/59/50/33/1377595033.db2.gz XPGJTPYMLRGZIH-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC[NH+](C)Cc2ccc(C)cc2)C1 ZINC001272093373 1377655947 /nfs/dbraw/zinc/65/59/47/1377655947.db2.gz PJZUOANCCIQYQL-FQEVSTJZSA-N 2 1 345.531 3.007 20 0 EGADMP Cc1cc(N2CC[NH+](Cc3c[nH]nc3-c3cccs3)CC2)cc[nH+]1 ZINC001138159187 1377686487 /nfs/dbraw/zinc/68/64/87/1377686487.db2.gz RIXQDYFJOYAKOK-UHFFFAOYSA-N 2 1 339.468 3.164 20 0 EGADMP COCC[N@H+](Cc1[nH]c2ccc(F)cc2c1C)C1CCN(C)CC1 ZINC001138411388 1377719058 /nfs/dbraw/zinc/71/90/58/1377719058.db2.gz AQTXERXUKUEMAS-UHFFFAOYSA-N 2 1 333.451 3.158 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(CN2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)cc1 ZINC001138551481 1377740324 /nfs/dbraw/zinc/74/03/24/1377740324.db2.gz IPOYGQXCOZZXNV-PMACEKPBSA-N 2 1 342.462 3.189 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccn2)cc1 ZINC001138772698 1377782269 /nfs/dbraw/zinc/78/22/69/1377782269.db2.gz XFJSRESOEHJVHX-FQEVSTJZSA-N 2 1 339.483 3.229 20 0 EGADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001139100056 1377829591 /nfs/dbraw/zinc/82/95/91/1377829591.db2.gz PXNOJDVYBNAEDD-VQTJNVASSA-N 2 1 338.499 3.371 20 0 EGADMP C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[NH+]1CCCCCC1 ZINC001139362011 1377874352 /nfs/dbraw/zinc/87/43/52/1377874352.db2.gz SGNJWOQMFCJFLR-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP COC(=O)c1cc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)cn1C ZINC001139376004 1377876038 /nfs/dbraw/zinc/87/60/38/1377876038.db2.gz MCNCYISPQALMRZ-UHFFFAOYSA-N 2 1 347.503 3.041 20 0 EGADMP COC(=O)c1cc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)cn1C ZINC001139376004 1377876040 /nfs/dbraw/zinc/87/60/40/1377876040.db2.gz MCNCYISPQALMRZ-UHFFFAOYSA-N 2 1 347.503 3.041 20 0 EGADMP C[NH+](C)CCN1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC001139416411 1377880627 /nfs/dbraw/zinc/88/06/27/1377880627.db2.gz QDWFWSOPOAGDEC-UHFFFAOYSA-N 2 1 347.890 3.279 20 0 EGADMP Cc1cc(O)cc(C)c1C[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001139714701 1377939712 /nfs/dbraw/zinc/93/97/12/1377939712.db2.gz JOLLDOSJPRZCJW-UHFFFAOYSA-N 2 1 332.488 3.084 20 0 EGADMP Cc1cc(O)cc(C)c1C[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001139714701 1377939714 /nfs/dbraw/zinc/93/97/14/1377939714.db2.gz JOLLDOSJPRZCJW-UHFFFAOYSA-N 2 1 332.488 3.084 20 0 EGADMP CC[NH+]1CCC(CC2CC[NH+](Cc3cnc(Cl)nc3)CC2)CC1 ZINC001139993190 1377988591 /nfs/dbraw/zinc/98/85/91/1377988591.db2.gz FEOGRHICRXTMGB-UHFFFAOYSA-N 2 1 336.911 3.464 20 0 EGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3c[nH]c4ccc(OCC)cc34)C[C@H]2C1 ZINC001140273438 1378038667 /nfs/dbraw/zinc/03/86/67/1378038667.db2.gz GNWCYWWCWKAEIY-IAGOWNOFSA-N 2 1 327.472 3.340 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C2)C1 ZINC001140413497 1378059222 /nfs/dbraw/zinc/05/92/22/1378059222.db2.gz ZRTYNJBQTDJTOH-IBGZPJMESA-N 2 1 342.874 3.325 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C2)C1 ZINC001140413497 1378059223 /nfs/dbraw/zinc/05/92/23/1378059223.db2.gz ZRTYNJBQTDJTOH-IBGZPJMESA-N 2 1 342.874 3.325 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C2)C1 ZINC001140413497 1378059225 /nfs/dbraw/zinc/05/92/25/1378059225.db2.gz ZRTYNJBQTDJTOH-IBGZPJMESA-N 2 1 342.874 3.325 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC3CCC(C)(C)CC3)CCC2)CC[N@H+]1C ZINC001273084324 1378087008 /nfs/dbraw/zinc/08/70/08/1378087008.db2.gz KCTCDCYIKMZUAQ-SJLPKXTDSA-N 2 1 349.563 3.172 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cc[nH]c1)CC2 ZINC001140705316 1378119184 /nfs/dbraw/zinc/11/91/84/1378119184.db2.gz IAWOYBPEMXQYHL-QGZVFWFLSA-N 2 1 345.512 3.332 20 0 EGADMP Cn1cnc2ccc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cc21 ZINC001140746705 1378128780 /nfs/dbraw/zinc/12/87/80/1378128780.db2.gz MDKFARWJHOGUHR-SFHVURJKSA-N 2 1 326.488 3.414 20 0 EGADMP Cc1cc(F)ccc1CN1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001140779650 1378134152 /nfs/dbraw/zinc/13/41/52/1378134152.db2.gz VDNZCEVHTJADDE-HXUWFJFHSA-N 2 1 334.479 3.457 20 0 EGADMP c1nc2cc[nH]cc-2c1C[N@@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001140801679 1378141124 /nfs/dbraw/zinc/14/11/24/1378141124.db2.gz WDHPNBGOUFOGLS-FXAWDEMLSA-N 2 1 341.455 3.113 20 0 EGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001140801679 1378141127 /nfs/dbraw/zinc/14/11/27/1378141127.db2.gz WDHPNBGOUFOGLS-FXAWDEMLSA-N 2 1 341.455 3.113 20 0 EGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001140801679 1378141129 /nfs/dbraw/zinc/14/11/29/1378141129.db2.gz WDHPNBGOUFOGLS-FXAWDEMLSA-N 2 1 341.455 3.113 20 0 EGADMP CC(C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001275703792 1378150954 /nfs/dbraw/zinc/15/09/54/1378150954.db2.gz FTUMYLBIILFBGX-GOSISDBHSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1nccn1-c1ccccc1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001275894314 1378161243 /nfs/dbraw/zinc/16/12/43/1378161243.db2.gz HVVBJKGVTAXRFQ-OAQYLSRUSA-N 2 1 338.499 3.489 20 0 EGADMP Cc1nccn1-c1ccccc1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275894314 1378161245 /nfs/dbraw/zinc/16/12/45/1378161245.db2.gz HVVBJKGVTAXRFQ-OAQYLSRUSA-N 2 1 338.499 3.489 20 0 EGADMP Cc1nccn1-c1ccccc1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275894314 1378161247 /nfs/dbraw/zinc/16/12/47/1378161247.db2.gz HVVBJKGVTAXRFQ-OAQYLSRUSA-N 2 1 338.499 3.489 20 0 EGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccccc3-c3cncnc3)C2)C1 ZINC001275894427 1378161288 /nfs/dbraw/zinc/16/12/88/1378161288.db2.gz JZDGSPRPXFHYQB-OAQYLSRUSA-N 2 1 336.483 3.451 20 0 EGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccccc3-c3cncnc3)C2)C1 ZINC001275894427 1378161293 /nfs/dbraw/zinc/16/12/93/1378161293.db2.gz JZDGSPRPXFHYQB-OAQYLSRUSA-N 2 1 336.483 3.451 20 0 EGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3-c3cncnc3)C2)C1 ZINC001275894427 1378161296 /nfs/dbraw/zinc/16/12/96/1378161296.db2.gz JZDGSPRPXFHYQB-OAQYLSRUSA-N 2 1 336.483 3.451 20 0 EGADMP Nc1cccc(F)c1CN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001140872883 1378164767 /nfs/dbraw/zinc/16/47/67/1378164767.db2.gz JWOXPMONPUWDGS-OKILXGFUSA-N 2 1 331.460 3.033 20 0 EGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1(c3ccccc3)CCOCC1)C2 ZINC001276494621 1378175700 /nfs/dbraw/zinc/17/57/00/1378175700.db2.gz XRQAMABRLDTMHR-FQEVSTJZSA-N 2 1 328.500 3.153 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1(c3ccccc3)CCOCC1)C2 ZINC001276494621 1378175701 /nfs/dbraw/zinc/17/57/01/1378175701.db2.gz XRQAMABRLDTMHR-FQEVSTJZSA-N 2 1 328.500 3.153 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1(c3ccccc3)CCOCC1)C2 ZINC001276494621 1378175704 /nfs/dbraw/zinc/17/57/04/1378175704.db2.gz XRQAMABRLDTMHR-FQEVSTJZSA-N 2 1 328.500 3.153 20 0 EGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1(c3ccccc3)CCOCC1)C2 ZINC001276494622 1378175750 /nfs/dbraw/zinc/17/57/50/1378175750.db2.gz XRQAMABRLDTMHR-HXUWFJFHSA-N 2 1 328.500 3.153 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1(c3ccccc3)CCOCC1)C2 ZINC001276494622 1378175752 /nfs/dbraw/zinc/17/57/52/1378175752.db2.gz XRQAMABRLDTMHR-HXUWFJFHSA-N 2 1 328.500 3.153 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1(c3ccccc3)CCOCC1)C2 ZINC001276494622 1378175753 /nfs/dbraw/zinc/17/57/53/1378175753.db2.gz XRQAMABRLDTMHR-HXUWFJFHSA-N 2 1 328.500 3.153 20 0 EGADMP C[N@H+](Cc1ccc(Cl)nc1)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140971175 1378196178 /nfs/dbraw/zinc/19/61/78/1378196178.db2.gz KNIWOQPAMPSWEU-UHFFFAOYSA-N 2 1 344.890 3.119 20 0 EGADMP C[N@@H+](Cc1ccc(Cl)nc1)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140971175 1378196183 /nfs/dbraw/zinc/19/61/83/1378196183.db2.gz KNIWOQPAMPSWEU-UHFFFAOYSA-N 2 1 344.890 3.119 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001277423502 1378222004 /nfs/dbraw/zinc/22/20/04/1378222004.db2.gz QKGKHKOOPABBQD-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CCCC[C@@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1COCCO1 ZINC001277524313 1378230796 /nfs/dbraw/zinc/23/07/96/1378230796.db2.gz GHPSAGPDTBHGCX-DZJYIKFMSA-N 2 1 338.536 3.203 20 0 EGADMP FCCCC[N@H+]1C[C@@H]2CC[NH+](Cc3nc4ccccc4[nH]3)CC[C@@H]2C1 ZINC001278205204 1378262235 /nfs/dbraw/zinc/26/22/35/1378262235.db2.gz DAHJKLGLCPAJOZ-CALCHBBNSA-N 2 1 344.478 3.456 20 0 EGADMP FCCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3nc4ccccc4[nH]3)CC[C@@H]2C1 ZINC001278205204 1378262237 /nfs/dbraw/zinc/26/22/37/1378262237.db2.gz DAHJKLGLCPAJOZ-CALCHBBNSA-N 2 1 344.478 3.456 20 0 EGADMP FCCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3nc4ccccc4[nH]3)CC[C@@H]2C1 ZINC001278205204 1378262241 /nfs/dbraw/zinc/26/22/41/1378262241.db2.gz DAHJKLGLCPAJOZ-CALCHBBNSA-N 2 1 344.478 3.456 20 0 EGADMP FCCCC[NH+]1C[C@@H]2CC[N@H+](Cc3nc4ccccc4[nH]3)CC[C@@H]2C1 ZINC001278205204 1378262244 /nfs/dbraw/zinc/26/22/44/1378262244.db2.gz DAHJKLGLCPAJOZ-CALCHBBNSA-N 2 1 344.478 3.456 20 0 EGADMP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCC[C@]12CC[N@@H+](CCC1CC1)C2 ZINC001278210967 1378263512 /nfs/dbraw/zinc/26/35/12/1378263512.db2.gz FMECJGIAMJSLKV-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cccc(-c2ccsc2)c1 ZINC001141384645 1378315506 /nfs/dbraw/zinc/31/55/06/1378315506.db2.gz SBIYIVFPCZCYKS-UHFFFAOYSA-N 2 1 329.513 3.094 20 0 EGADMP C[N@@H+](CCCC1CCC1)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001281955525 1378463808 /nfs/dbraw/zinc/46/38/08/1378463808.db2.gz NJRPDRCAGJOSEZ-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)CC(C)(C)C ZINC001143140333 1378546094 /nfs/dbraw/zinc/54/60/94/1378546094.db2.gz NJFPVQXDEOBAKW-MSOLQXFVSA-N 2 1 339.568 3.323 20 0 EGADMP COc1cc(C)cc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c1 ZINC001143153395 1378549148 /nfs/dbraw/zinc/54/91/48/1378549148.db2.gz WUDIDIPYJUTGLX-UHFFFAOYSA-N 2 1 325.456 3.446 20 0 EGADMP CC[N@@H+]1C[C@H]2CN(Cc3ccc(C(F)(F)F)c(OC)c3)C[C@H]2C1 ZINC001143350051 1378585347 /nfs/dbraw/zinc/58/53/47/1378585347.db2.gz ADJYEDGNGCKSDP-OKILXGFUSA-N 2 1 328.378 3.098 20 0 EGADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc(OC(F)(F)F)c1 ZINC001143473266 1378601024 /nfs/dbraw/zinc/60/10/24/1378601024.db2.gz ZPUXKTFVSIDEKA-INIZCTEOSA-N 2 1 328.378 3.421 20 0 EGADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc(OC(F)(F)F)c1 ZINC001143473266 1378601026 /nfs/dbraw/zinc/60/10/26/1378601026.db2.gz ZPUXKTFVSIDEKA-INIZCTEOSA-N 2 1 328.378 3.421 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc(OC(F)(F)F)c1 ZINC001143473266 1378601028 /nfs/dbraw/zinc/60/10/28/1378601028.db2.gz ZPUXKTFVSIDEKA-INIZCTEOSA-N 2 1 328.378 3.421 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc(OC(F)(F)F)c1 ZINC001143473266 1378601029 /nfs/dbraw/zinc/60/10/29/1378601029.db2.gz ZPUXKTFVSIDEKA-INIZCTEOSA-N 2 1 328.378 3.421 20 0 EGADMP COc1c(F)cc(F)cc1C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001143561268 1378617832 /nfs/dbraw/zinc/61/78/32/1378617832.db2.gz UOPKFFILDIQRFH-UHFFFAOYSA-N 2 1 347.409 3.416 20 0 EGADMP COc1c(F)cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1Cl ZINC001143848290 1378653336 /nfs/dbraw/zinc/65/33/36/1378653336.db2.gz SVWSGGRURMMSAB-UHFFFAOYSA-N 2 1 326.843 3.405 20 0 EGADMP COC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c(F)c1 ZINC001144446096 1378733200 /nfs/dbraw/zinc/73/32/00/1378733200.db2.gz UYXGDPQIVODVGA-UHFFFAOYSA-N 2 1 336.451 3.165 20 0 EGADMP c1[nH+]c(CN2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2ccccn12 ZINC001144616069 1378751136 /nfs/dbraw/zinc/75/11/36/1378751136.db2.gz MKUCYRPZAZSRCT-KNQAVFIVSA-N 2 1 346.478 3.431 20 0 EGADMP c1[nH+]c(CN2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2ccccn12 ZINC001144616069 1378751138 /nfs/dbraw/zinc/75/11/38/1378751138.db2.gz MKUCYRPZAZSRCT-KNQAVFIVSA-N 2 1 346.478 3.431 20 0 EGADMP c1[nH+]c(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2ccccn12 ZINC001144625792 1378752091 /nfs/dbraw/zinc/75/20/91/1378752091.db2.gz TZXYGQMUNNSUIC-WOJBJXKFSA-N 2 1 346.478 3.288 20 0 EGADMP c1[nH+]c(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2ccccn12 ZINC001144625792 1378752093 /nfs/dbraw/zinc/75/20/93/1378752093.db2.gz TZXYGQMUNNSUIC-WOJBJXKFSA-N 2 1 346.478 3.288 20 0 EGADMP c1[nH+]c(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c2ccccn12 ZINC001144624245 1378752776 /nfs/dbraw/zinc/75/27/76/1378752776.db2.gz ATHZBELBKWFUSN-JOCHJYFZSA-N 2 1 346.478 3.432 20 0 EGADMP c1[nH+]c(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c2ccccn12 ZINC001144624245 1378752779 /nfs/dbraw/zinc/75/27/79/1378752779.db2.gz ATHZBELBKWFUSN-JOCHJYFZSA-N 2 1 346.478 3.432 20 0 EGADMP Cc1cc(C)cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001146590773 1378871999 /nfs/dbraw/zinc/87/19/99/1378871999.db2.gz AFZDOBZOYRNJSM-ROUUACIJSA-N 2 1 333.520 3.017 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001146595450 1378874495 /nfs/dbraw/zinc/87/44/95/1378874495.db2.gz ZQYCWISDDGBXSZ-IRXDYDNUSA-N 2 1 325.541 3.170 20 0 EGADMP CCC/C=C\CC[NH2+]CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001147456944 1379025050 /nfs/dbraw/zinc/02/50/50/1379025050.db2.gz AHDWKWCYVHVHGP-FQQSSWHASA-N 2 1 331.504 3.132 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccccc1)c1ccccc1 ZINC001147466411 1379026233 /nfs/dbraw/zinc/02/62/33/1379026233.db2.gz KYTWKEGNLSYEIE-YLJYHZDGSA-N 2 1 339.483 3.146 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC001147466409 1379026474 /nfs/dbraw/zinc/02/64/74/1379026474.db2.gz KYTWKEGNLSYEIE-PXNSSMCTSA-N 2 1 339.483 3.146 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001147541870 1379039877 /nfs/dbraw/zinc/03/98/77/1379039877.db2.gz ZVSZWUBARGNSRZ-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2 ZINC001147541870 1379039882 /nfs/dbraw/zinc/03/98/82/1379039882.db2.gz ZVSZWUBARGNSRZ-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCC(C)(C)C)C2 ZINC001147541870 1379039884 /nfs/dbraw/zinc/03/98/84/1379039884.db2.gz ZVSZWUBARGNSRZ-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)CC[NH+](CC1CCC(C)CC1)C2 ZINC001147836074 1379088043 /nfs/dbraw/zinc/08/80/43/1379088043.db2.gz PPKIKSSPLIISPL-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CC1CCC(C)CC1)C2 ZINC001147836074 1379088045 /nfs/dbraw/zinc/08/80/45/1379088045.db2.gz PPKIKSSPLIISPL-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](CC1CCC(C)CC1)C2 ZINC001147836074 1379088046 /nfs/dbraw/zinc/08/80/46/1379088046.db2.gz PPKIKSSPLIISPL-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147993594 1379104537 /nfs/dbraw/zinc/10/45/37/1379104537.db2.gz XINRWRIHBDAYRR-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccccc1 ZINC001283676853 1379104785 /nfs/dbraw/zinc/10/47/85/1379104785.db2.gz FUOVFCQGXIFORX-IAGOWNOFSA-N 2 1 342.487 3.204 20 0 EGADMP CCCCC[N@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001148444740 1379172444 /nfs/dbraw/zinc/17/24/44/1379172444.db2.gz FTUKTXDCYIAUSC-UHFFFAOYSA-N 2 1 343.515 3.086 20 0 EGADMP CC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477546 1379182055 /nfs/dbraw/zinc/18/20/55/1379182055.db2.gz XAOFCDGIGXTHRR-YXBWYFRISA-N 2 1 349.563 3.243 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1c(C)ccc2ccccc21 ZINC001148571087 1379214118 /nfs/dbraw/zinc/21/41/18/1379214118.db2.gz VTFVICPIRJKEHQ-UHFFFAOYSA-N 2 1 341.499 3.086 20 0 EGADMP CC(C)CCC[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001148777218 1379266123 /nfs/dbraw/zinc/26/61/23/1379266123.db2.gz QCAMCSVPFKYYDR-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2cc(C)cc(C)c2)[C@@H]1C ZINC001284152560 1379548450 /nfs/dbraw/zinc/54/84/50/1379548450.db2.gz IIDMBOXNATZAJR-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)cc(C)c2)[C@@H]1C ZINC001284152560 1379548451 /nfs/dbraw/zinc/54/84/51/1379548451.db2.gz IIDMBOXNATZAJR-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2)[C@@H]1C ZINC001284152560 1379548453 /nfs/dbraw/zinc/54/84/53/1379548453.db2.gz IIDMBOXNATZAJR-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392037 1379926199 /nfs/dbraw/zinc/92/61/99/1379926199.db2.gz JJFVFNTXZMLKBG-YLJYHZDGSA-N 2 1 345.531 3.231 20 0 EGADMP CC[NH+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152392037 1379926200 /nfs/dbraw/zinc/92/62/00/1379926200.db2.gz JJFVFNTXZMLKBG-YLJYHZDGSA-N 2 1 345.531 3.231 20 0 EGADMP CC[NH+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152392037 1379926202 /nfs/dbraw/zinc/92/62/02/1379926202.db2.gz JJFVFNTXZMLKBG-YLJYHZDGSA-N 2 1 345.531 3.231 20 0 EGADMP CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001153362715 1380064890 /nfs/dbraw/zinc/06/48/90/1380064890.db2.gz UCNZQOGPONZYCY-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC1CCC1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153362715 1380064893 /nfs/dbraw/zinc/06/48/93/1380064893.db2.gz UCNZQOGPONZYCY-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC1CCC1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153362715 1380064900 /nfs/dbraw/zinc/06/49/00/1380064900.db2.gz UCNZQOGPONZYCY-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC1CCCC1 ZINC001153720294 1380118897 /nfs/dbraw/zinc/11/88/97/1380118897.db2.gz AHAVFKZWTSCENI-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCC1CCCC1 ZINC001153720294 1380118898 /nfs/dbraw/zinc/11/88/98/1380118898.db2.gz AHAVFKZWTSCENI-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCC1CCCC1 ZINC001153720294 1380118899 /nfs/dbraw/zinc/11/88/99/1380118899.db2.gz AHAVFKZWTSCENI-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153823857 1380137573 /nfs/dbraw/zinc/13/75/73/1380137573.db2.gz BHEWJYFZBUWWHY-APWZRJJASA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C/c1ccccc1 ZINC001154070274 1380198218 /nfs/dbraw/zinc/19/82/18/1380198218.db2.gz WYUJRCOUOKSICU-NKAIQICCSA-N 2 1 345.531 3.257 20 0 EGADMP CC[NH+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154070274 1380198224 /nfs/dbraw/zinc/19/82/24/1380198224.db2.gz WYUJRCOUOKSICU-NKAIQICCSA-N 2 1 345.531 3.257 20 0 EGADMP CC[NH+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154070274 1380198230 /nfs/dbraw/zinc/19/82/30/1380198230.db2.gz WYUJRCOUOKSICU-NKAIQICCSA-N 2 1 345.531 3.257 20 0 EGADMP CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099550 1380207604 /nfs/dbraw/zinc/20/76/04/1380207604.db2.gz LPLSWKYKKVXULD-MRXNPFEDSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CCC1CC1)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001154099550 1380207609 /nfs/dbraw/zinc/20/76/09/1380207609.db2.gz LPLSWKYKKVXULD-MRXNPFEDSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CCC1CC1)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001154099550 1380207613 /nfs/dbraw/zinc/20/76/13/1380207613.db2.gz LPLSWKYKKVXULD-MRXNPFEDSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455180 1380281223 /nfs/dbraw/zinc/28/12/23/1380281223.db2.gz JAKLEJUTQITCDU-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](CC(C)C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001154844484 1380364187 /nfs/dbraw/zinc/36/41/87/1380364187.db2.gz JOLBYMKYGIFBAY-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CC(C)C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001154844484 1380364190 /nfs/dbraw/zinc/36/41/90/1380364190.db2.gz JOLBYMKYGIFBAY-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CC(C)C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001154844484 1380364194 /nfs/dbraw/zinc/36/41/94/1380364194.db2.gz JOLBYMKYGIFBAY-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](Cc1ccccc1C1CC1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904159 1380374576 /nfs/dbraw/zinc/37/45/76/1380374576.db2.gz NCAHRIIOUUYBGF-QGZVFWFLSA-N 2 1 345.531 3.232 20 0 EGADMP CC[N@@H+](Cc1ccc(C2CC2)cc1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154903828 1380374678 /nfs/dbraw/zinc/37/46/78/1380374678.db2.gz GUDDIDIIPHSHBU-QGZVFWFLSA-N 2 1 345.531 3.232 20 0 EGADMP CC[N@@H+](Cc1cc(C)sc1C)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154909862 1380375665 /nfs/dbraw/zinc/37/56/65/1380375665.db2.gz UWELFRYNUFKHHI-CQSZACIVSA-N 2 1 339.549 3.033 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H](Nc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C1 ZINC001154987467 1380385876 /nfs/dbraw/zinc/38/58/76/1380385876.db2.gz XNJDLPPOECRRBI-RTBURBONSA-N 2 1 336.483 3.322 20 0 EGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226655 1380426608 /nfs/dbraw/zinc/42/66/08/1380426608.db2.gz MDZIBAFJGYVIBC-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155226655 1380426609 /nfs/dbraw/zinc/42/66/09/1380426609.db2.gz MDZIBAFJGYVIBC-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155226655 1380426610 /nfs/dbraw/zinc/42/66/10/1380426610.db2.gz MDZIBAFJGYVIBC-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP CC[C@@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155249652 1380429093 /nfs/dbraw/zinc/42/90/93/1380429093.db2.gz PFESNWHEAAEDPM-QZTJIDSGSA-N 2 1 347.547 3.277 20 0 EGADMP CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001155619964 1380474859 /nfs/dbraw/zinc/47/48/59/1380474859.db2.gz FAZDGCKYQSXPMH-UYAOXDASSA-N 2 1 345.531 3.276 20 0 EGADMP CC[NH+](Cc1ccccc1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001155619964 1380474860 /nfs/dbraw/zinc/47/48/60/1380474860.db2.gz FAZDGCKYQSXPMH-UYAOXDASSA-N 2 1 345.531 3.276 20 0 EGADMP CC[NH+](Cc1ccccc1)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001155619964 1380474861 /nfs/dbraw/zinc/47/48/61/1380474861.db2.gz FAZDGCKYQSXPMH-UYAOXDASSA-N 2 1 345.531 3.276 20 0 EGADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001155802146 1380493634 /nfs/dbraw/zinc/49/36/34/1380493634.db2.gz GVTCEXKKDPOGAE-OXJNMPFZSA-N 2 1 339.483 3.091 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001155812385 1380494417 /nfs/dbraw/zinc/49/44/17/1380494417.db2.gz MKJFVNRHCNCTTI-ABHNRTSZSA-N 2 1 337.552 3.029 20 0 EGADMP CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131096 1380529259 /nfs/dbraw/zinc/52/92/59/1380529259.db2.gz DGYIXPDFVXVOGA-QGZVFWFLSA-N 2 1 343.531 3.073 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001156341581 1380561685 /nfs/dbraw/zinc/56/16/85/1380561685.db2.gz JSVJGQOPZROXNM-WIYYLYMNSA-N 2 1 347.547 3.336 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428303 1380574803 /nfs/dbraw/zinc/57/48/03/1380574803.db2.gz GRATUFKFMZYROL-MRXNPFEDSA-N 2 1 346.519 3.168 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428305 1380574927 /nfs/dbraw/zinc/57/49/27/1380574927.db2.gz GTZTZLPNGQKJGX-MRXNPFEDSA-N 2 1 348.535 3.414 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475765 1380581258 /nfs/dbraw/zinc/58/12/58/1380581258.db2.gz TWVJJEHGNMMGFY-QGZVFWFLSA-N 2 1 327.557 3.371 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@H](C)CC(C)C)CC1(C)C ZINC001328098836 1388670801 /nfs/dbraw/zinc/67/08/01/1388670801.db2.gz QRVLPSSPYHPLBQ-MSOLQXFVSA-N 2 1 339.568 3.227 20 0 EGADMP Cc1c[nH+]c(N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)c(N)c1 ZINC001157074789 1380768990 /nfs/dbraw/zinc/76/89/90/1380768990.db2.gz QNYRMBWBXBGIFF-UHFFFAOYSA-N 2 1 328.435 3.212 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092309 1380774016 /nfs/dbraw/zinc/77/40/16/1380774016.db2.gz QXVFIDXWKBIUSF-IHHMQQGQSA-N 2 1 337.552 3.435 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092241 1380774190 /nfs/dbraw/zinc/77/41/90/1380774190.db2.gz OEUQYIUAMYDBGU-GOSISDBHSA-N 2 1 325.541 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCC[NH+](C)[C@@H]3C2)nc1 ZINC001157281264 1380832291 /nfs/dbraw/zinc/83/22/91/1380832291.db2.gz DZFRGJHXGWWVEL-IPMKNSEASA-N 2 1 328.504 3.159 20 0 EGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)nc1 ZINC001157281264 1380832296 /nfs/dbraw/zinc/83/22/96/1380832296.db2.gz DZFRGJHXGWWVEL-IPMKNSEASA-N 2 1 328.504 3.159 20 0 EGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)nc1 ZINC001157281264 1380832301 /nfs/dbraw/zinc/83/23/01/1380832301.db2.gz DZFRGJHXGWWVEL-IPMKNSEASA-N 2 1 328.504 3.159 20 0 EGADMP CC(C)(C)CN(c1cc[nH+]c(N2CCCCC2)n1)C1CC[NH2+]CC1 ZINC001157891619 1381062035 /nfs/dbraw/zinc/06/20/35/1381062035.db2.gz IMMZLGPBTZJKTG-UHFFFAOYSA-N 2 1 331.508 3.071 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C)cs1 ZINC001328253612 1388699609 /nfs/dbraw/zinc/69/96/09/1388699609.db2.gz BMLFAMXCMVDCPK-PBHICJAKSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)C[C@H]2C)cs1 ZINC001328253612 1388699611 /nfs/dbraw/zinc/69/96/11/1388699611.db2.gz BMLFAMXCMVDCPK-PBHICJAKSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2CC[C@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@H]2C)cs1 ZINC001328253612 1388699614 /nfs/dbraw/zinc/69/96/14/1388699614.db2.gz BMLFAMXCMVDCPK-PBHICJAKSA-N 2 1 349.544 3.010 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001158089856 1381125960 /nfs/dbraw/zinc/12/59/60/1381125960.db2.gz FQPUSXUZFBPHJO-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001158089856 1381125961 /nfs/dbraw/zinc/12/59/61/1381125961.db2.gz FQPUSXUZFBPHJO-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001158089856 1381125967 /nfs/dbraw/zinc/12/59/67/1381125967.db2.gz FQPUSXUZFBPHJO-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP O=C(NCCC[NH2+]CC1CCCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158100053 1381127511 /nfs/dbraw/zinc/12/75/11/1381127511.db2.gz VWWOCAISAUSPGA-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CCC/C=C/CC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158098791 1381127918 /nfs/dbraw/zinc/12/79/18/1381127918.db2.gz JUBKWQSOGCYNKG-VZSQWMKGSA-N 2 1 349.563 3.483 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001158290113 1381186568 /nfs/dbraw/zinc/18/65/68/1381186568.db2.gz XLWBLWUMJNZLCY-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC=C(C)C)C1 ZINC001158398542 1381230673 /nfs/dbraw/zinc/23/06/73/1381230673.db2.gz XBRHFYMEJQHFSB-VQTJNVASSA-N 2 1 349.563 3.388 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC=C(C)C)C1 ZINC001158398542 1381230675 /nfs/dbraw/zinc/23/06/75/1381230675.db2.gz XBRHFYMEJQHFSB-VQTJNVASSA-N 2 1 349.563 3.388 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC=C(C)C)C1 ZINC001158398542 1381230679 /nfs/dbraw/zinc/23/06/79/1381230679.db2.gz XBRHFYMEJQHFSB-VQTJNVASSA-N 2 1 349.563 3.388 20 0 EGADMP CCc1ccc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)CC[NH+](C)C)cc1 ZINC001158449926 1381249809 /nfs/dbraw/zinc/24/98/09/1381249809.db2.gz JAYPDZVYDSWMKX-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CCC(C)(C)C ZINC001158474390 1381256815 /nfs/dbraw/zinc/25/68/15/1381256815.db2.gz YJNAIKUTUJIFLV-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)(C)C ZINC001158474390 1381256821 /nfs/dbraw/zinc/25/68/21/1381256821.db2.gz YJNAIKUTUJIFLV-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)(C)C ZINC001158474390 1381256825 /nfs/dbraw/zinc/25/68/25/1381256825.db2.gz YJNAIKUTUJIFLV-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1cc(C[NH+](C)C)ccn1 ZINC001158522011 1381280338 /nfs/dbraw/zinc/28/03/38/1381280338.db2.gz QSYSKOPPHRTTSH-QZTJIDSGSA-N 2 1 338.499 3.242 20 0 EGADMP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001158597421 1381313500 /nfs/dbraw/zinc/31/35/00/1381313500.db2.gz BTYKZRLXXQZBPY-GOSISDBHSA-N 2 1 334.508 3.085 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001158597421 1381313503 /nfs/dbraw/zinc/31/35/03/1381313503.db2.gz BTYKZRLXXQZBPY-GOSISDBHSA-N 2 1 334.508 3.085 20 0 EGADMP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158856237 1381436269 /nfs/dbraw/zinc/43/62/69/1381436269.db2.gz ATMYPLOKNOOWIP-OVKVCFKUSA-N 2 1 346.519 3.251 20 0 EGADMP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158856237 1381436279 /nfs/dbraw/zinc/43/62/79/1381436279.db2.gz ATMYPLOKNOOWIP-OVKVCFKUSA-N 2 1 346.519 3.251 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001158922927 1381466212 /nfs/dbraw/zinc/46/62/12/1381466212.db2.gz NIZKYEZFUJVTNF-GOSISDBHSA-N 2 1 325.541 3.076 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001158922927 1381466217 /nfs/dbraw/zinc/46/62/17/1381466217.db2.gz NIZKYEZFUJVTNF-GOSISDBHSA-N 2 1 325.541 3.076 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001158922927 1381466226 /nfs/dbraw/zinc/46/62/26/1381466226.db2.gz NIZKYEZFUJVTNF-GOSISDBHSA-N 2 1 325.541 3.076 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Br)cn2)C1 ZINC001328379410 1388734029 /nfs/dbraw/zinc/73/40/29/1388734029.db2.gz WZVGCVJKLRFMHC-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Br)cn2)C1 ZINC001328379410 1388734033 /nfs/dbraw/zinc/73/40/33/1388734033.db2.gz WZVGCVJKLRFMHC-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C)cc1C ZINC001328412498 1388740010 /nfs/dbraw/zinc/74/00/10/1388740010.db2.gz CARABNLZJCJXIJ-SFHVURJKSA-N 2 1 347.547 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](CC)c1ccc(F)cc1 ZINC001159334714 1381768168 /nfs/dbraw/zinc/76/81/68/1381768168.db2.gz GFJQLANJJIDPGD-MOPGFXCFSA-N 2 1 349.494 3.247 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CC2CCCCCC2)C1 ZINC001159838655 1381916922 /nfs/dbraw/zinc/91/69/22/1381916922.db2.gz MTMPBHKQOSVQCR-IBGZPJMESA-N 2 1 337.552 3.031 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001159908752 1381934787 /nfs/dbraw/zinc/93/47/87/1381934787.db2.gz JVELLMUQWHRZQN-VQIMIIECSA-N 2 1 349.494 3.246 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]ccn21)c1ccccc1 ZINC001159917550 1381936534 /nfs/dbraw/zinc/93/65/34/1381936534.db2.gz ZGKMORIOBBZKOD-QZTJIDSGSA-N 2 1 340.471 3.008 20 0 EGADMP CC[NH+](CC)c1ccc(Nc2c(O)cccc2N2CC[NH2+]CC2)cc1 ZINC001160012451 1381967537 /nfs/dbraw/zinc/96/75/37/1381967537.db2.gz NIGJYKHKLLSMHG-UHFFFAOYSA-N 2 1 340.471 3.392 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119626 1382003312 /nfs/dbraw/zinc/00/33/12/1382003312.db2.gz DIMIXOXKZFENEB-FQEVSTJZSA-N 2 1 349.563 3.434 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160119626 1382003315 /nfs/dbraw/zinc/00/33/15/1382003315.db2.gz DIMIXOXKZFENEB-FQEVSTJZSA-N 2 1 349.563 3.434 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160119626 1382003321 /nfs/dbraw/zinc/00/33/21/1382003321.db2.gz DIMIXOXKZFENEB-FQEVSTJZSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120311 1382003397 /nfs/dbraw/zinc/00/33/97/1382003397.db2.gz LLMWZHRIKJZUAO-IEBWSBKVSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160120311 1382003402 /nfs/dbraw/zinc/00/34/02/1382003402.db2.gz LLMWZHRIKJZUAO-IEBWSBKVSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160120311 1382003403 /nfs/dbraw/zinc/00/34/03/1382003403.db2.gz LLMWZHRIKJZUAO-IEBWSBKVSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CCC(C)C)CC1 ZINC001160285952 1382062309 /nfs/dbraw/zinc/06/23/09/1382062309.db2.gz MAPJIFRBDACBLK-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CCC(C)C)CC1 ZINC001160285952 1382062315 /nfs/dbraw/zinc/06/23/15/1382062315.db2.gz MAPJIFRBDACBLK-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CCC(C)C)CC1 ZINC001160285952 1382062323 /nfs/dbraw/zinc/06/23/23/1382062323.db2.gz MAPJIFRBDACBLK-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160360118 1382082530 /nfs/dbraw/zinc/08/25/30/1382082530.db2.gz JIKXDXQWUZQIEZ-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001160360118 1382082535 /nfs/dbraw/zinc/08/25/35/1382082535.db2.gz JIKXDXQWUZQIEZ-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001160360118 1382082541 /nfs/dbraw/zinc/08/25/41/1382082541.db2.gz JIKXDXQWUZQIEZ-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160501056 1382125610 /nfs/dbraw/zinc/12/56/10/1382125610.db2.gz VPSUUXMGUPJONS-XJDXJNMNSA-N 2 1 347.547 3.356 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001160501056 1382125613 /nfs/dbraw/zinc/12/56/13/1382125613.db2.gz VPSUUXMGUPJONS-XJDXJNMNSA-N 2 1 347.547 3.356 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001160501056 1382125618 /nfs/dbraw/zinc/12/56/18/1382125618.db2.gz VPSUUXMGUPJONS-XJDXJNMNSA-N 2 1 347.547 3.356 20 0 EGADMP COc1cc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)[nH+]c2ccccc21 ZINC001160741968 1382183345 /nfs/dbraw/zinc/18/33/45/1382183345.db2.gz ULYAPDGFOASMCQ-AAEUAGOBSA-N 2 1 325.334 3.196 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001160870003 1382220179 /nfs/dbraw/zinc/22/01/79/1382220179.db2.gz UNIDFRVFDHHDKN-OALUTQOASA-N 2 1 335.536 3.070 20 0 EGADMP CC(C)[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001160990541 1382263536 /nfs/dbraw/zinc/26/35/36/1382263536.db2.gz CCVOIYWSHWJHBX-HXUWFJFHSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001160990541 1382263542 /nfs/dbraw/zinc/26/35/42/1382263542.db2.gz CCVOIYWSHWJHBX-HXUWFJFHSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001160990541 1382263545 /nfs/dbraw/zinc/26/35/45/1382263545.db2.gz CCVOIYWSHWJHBX-HXUWFJFHSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC1=CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001161206758 1382340455 /nfs/dbraw/zinc/34/04/55/1382340455.db2.gz MWIOXIRDAGXFFS-QGZVFWFLSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001161206758 1382340460 /nfs/dbraw/zinc/34/04/60/1382340460.db2.gz MWIOXIRDAGXFFS-QGZVFWFLSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001161206758 1382340467 /nfs/dbraw/zinc/34/04/67/1382340467.db2.gz MWIOXIRDAGXFFS-QGZVFWFLSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@H](C(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1)[NH+](CC)CC ZINC001161212748 1382343724 /nfs/dbraw/zinc/34/37/24/1382343724.db2.gz AEIQLAXHMYFONH-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001161227333 1382348923 /nfs/dbraw/zinc/34/89/23/1382348923.db2.gz ZJOYWXIRLGQLCO-KRWDZBQOSA-N 2 1 333.520 3.191 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001161227156 1382349075 /nfs/dbraw/zinc/34/90/75/1382349075.db2.gz VKFZVWUPFIDQDE-UHFFFAOYSA-N 2 1 325.541 3.029 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001161226795 1382349285 /nfs/dbraw/zinc/34/92/85/1382349285.db2.gz OWYPBIIJALUOOJ-GOSISDBHSA-N 2 1 349.494 3.029 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383436 1382392362 /nfs/dbraw/zinc/39/23/62/1382392362.db2.gz XPDHRRCQLKXMTJ-GOSISDBHSA-N 2 1 335.536 3.189 20 0 EGADMP CC[NH+](CC)CC(=O)NCCC1=CC[N@@H+](CC2CCC(C)CC2)CC1 ZINC001161504348 1382424920 /nfs/dbraw/zinc/42/49/20/1382424920.db2.gz IXXIZJYIYOPTSM-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP COCCC1(CNc2cc(C)c3ccc(OC)cc3[nH+]2)CC[NH2+]CC1 ZINC001161503447 1382425014 /nfs/dbraw/zinc/42/50/14/1382425014.db2.gz JDFYVRFBWBBYFZ-UHFFFAOYSA-N 2 1 343.471 3.370 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161553518 1382438783 /nfs/dbraw/zinc/43/87/83/1382438783.db2.gz CFYJNXNPRFNXHO-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001161938413 1382560920 /nfs/dbraw/zinc/56/09/20/1382560920.db2.gz LKXLMLLHXGHZLY-UHFFFAOYSA-N 2 1 343.515 3.156 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CCCC(C)C)CC1 ZINC001161952285 1382568177 /nfs/dbraw/zinc/56/81/77/1382568177.db2.gz FPGBZLAGLXJMOC-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161953019 1382569626 /nfs/dbraw/zinc/56/96/26/1382569626.db2.gz OPCYYRXDYYNSEA-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001161953019 1382569631 /nfs/dbraw/zinc/56/96/31/1382569631.db2.gz OPCYYRXDYYNSEA-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001161953019 1382569636 /nfs/dbraw/zinc/56/96/36/1382569636.db2.gz OPCYYRXDYYNSEA-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP Cc1nc(N(C)C)cc(N(CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)[nH+]1 ZINC001162186867 1382652432 /nfs/dbraw/zinc/65/24/32/1382652432.db2.gz ZGOWPVPDNKHTRI-QAQDUYKDSA-N 2 1 331.508 3.118 20 0 EGADMP COC(=O)c1cccc(-c2ccc(NC[C@H]3C[NH2+][C@H](C)C3)[nH+]c2C)c1 ZINC001162553296 1382788241 /nfs/dbraw/zinc/78/82/41/1382788241.db2.gz ZSJGLRFHWRBUGU-UKRRQHHQSA-N 2 1 339.439 3.254 20 0 EGADMP Cc1nc(N(C)C)cc(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)[nH+]1 ZINC001163315916 1383019824 /nfs/dbraw/zinc/01/98/24/1383019824.db2.gz UHQHSGIQQPIXCL-INIZCTEOSA-N 2 1 329.492 3.084 20 0 EGADMP Cc1[nH+]ccn1-c1cc(-n2c(C[NH3+])cc3cc(Cl)ccc32)ncn1 ZINC001163898395 1383133913 /nfs/dbraw/zinc/13/39/13/1383133913.db2.gz XLPLQWDPEVVMMZ-UHFFFAOYSA-N 2 1 338.802 3.027 20 0 EGADMP COc1cc2[nH+]ccn2cc1-n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001163902301 1383134422 /nfs/dbraw/zinc/13/44/22/1383134422.db2.gz LVFZVAHULJLNRH-UHFFFAOYSA-N 2 1 326.787 3.399 20 0 EGADMP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@@H]([NH3+])C2)nc1 ZINC001164326354 1383177769 /nfs/dbraw/zinc/17/77/69/1383177769.db2.gz DGLUKBMNPBJONS-HOTGVXAUSA-N 2 1 338.446 3.191 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@@H]([NH3+])C2)nc1 ZINC001164326354 1383177770 /nfs/dbraw/zinc/17/77/70/1383177770.db2.gz DGLUKBMNPBJONS-HOTGVXAUSA-N 2 1 338.446 3.191 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001164455486 1383188329 /nfs/dbraw/zinc/18/83/29/1383188329.db2.gz CAABEDLDUWQCHV-LJQANCHMSA-N 2 1 349.563 3.175 20 0 EGADMP CCCCCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164501121 1383193981 /nfs/dbraw/zinc/19/39/81/1383193981.db2.gz SMJZNDYQDNRVID-IBGZPJMESA-N 2 1 337.552 3.460 20 0 EGADMP CC(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001164540874 1383197706 /nfs/dbraw/zinc/19/77/06/1383197706.db2.gz QSVHRCOSAZFPBW-GOSISDBHSA-N 2 1 349.563 3.173 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CCCC(C)(C)C)CC2)CC[N@H+]1C ZINC001164582339 1383201770 /nfs/dbraw/zinc/20/17/70/1383201770.db2.gz ITDGWEJMPSPNLS-IAGOWNOFSA-N 2 1 337.552 3.029 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001164582696 1383202128 /nfs/dbraw/zinc/20/21/28/1383202128.db2.gz NHDZCPCMOFZMRK-ZWKOTPCHSA-N 2 1 337.552 3.173 20 0 EGADMP Cn1ccc2c1cc[nH+]c2N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165083477 1383224549 /nfs/dbraw/zinc/22/45/49/1383224549.db2.gz GKDCMIWBLDYLNK-YLJYHZDGSA-N 2 1 332.451 3.284 20 0 EGADMP FC(F)(F)[C@@H]1N(c2ccc3c([nH+]2)CCC3)CCC12CC[NH2+]CC2 ZINC001165265446 1383262214 /nfs/dbraw/zinc/26/22/14/1383262214.db2.gz FHMWRNMUVUJMBE-OAHLLOKOSA-N 2 1 325.378 3.081 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001166633175 1383450774 /nfs/dbraw/zinc/45/07/74/1383450774.db2.gz BHHZBBYFTNDCIX-KRWDZBQOSA-N 2 1 345.531 3.064 20 0 EGADMP C[C@@H]1CCC[C@H](CC[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001166751434 1383471547 /nfs/dbraw/zinc/47/15/47/1383471547.db2.gz RHPPYMZIRJASDY-QZTJIDSGSA-N 2 1 339.568 3.277 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NCCC[NH2+]CCC2CCCCCC2)C1 ZINC001166764915 1383474109 /nfs/dbraw/zinc/47/41/09/1383474109.db2.gz OAWXXDAFMCNAAP-UHFFFAOYSA-N 2 1 337.552 3.175 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001166793124 1383477834 /nfs/dbraw/zinc/47/78/34/1383477834.db2.gz FNOHWNZJNBYGPX-GOSISDBHSA-N 2 1 337.552 3.175 20 0 EGADMP CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2cc3[nH]ccc3c(C)[nH+]2)C1 ZINC001166875956 1383491376 /nfs/dbraw/zinc/49/13/76/1383491376.db2.gz JZRBPRWZENIDFM-LBPRGKRZSA-N 2 1 341.484 3.060 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001167236039 1383571698 /nfs/dbraw/zinc/57/16/98/1383571698.db2.gz GKTVUUBFJKWYCO-HKUYNNGSSA-N 2 1 349.563 3.031 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001167236065 1383571900 /nfs/dbraw/zinc/57/19/00/1383571900.db2.gz GWWBGDYRTMOFGC-MJGOQNOKSA-N 2 1 349.563 3.031 20 0 EGADMP CS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001328791538 1388865615 /nfs/dbraw/zinc/86/56/15/1388865615.db2.gz FVZGWVMBLYBTTD-MOPGFXCFSA-N 2 1 334.529 3.235 20 0 EGADMP CS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001328791538 1388865617 /nfs/dbraw/zinc/86/56/17/1388865617.db2.gz FVZGWVMBLYBTTD-MOPGFXCFSA-N 2 1 334.529 3.235 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001167351732 1383606548 /nfs/dbraw/zinc/60/65/48/1383606548.db2.gz JVPFREFUQDIXPL-UHFFFAOYSA-N 2 1 346.519 3.073 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385871 1383618739 /nfs/dbraw/zinc/61/87/39/1383618739.db2.gz WNCMJMQOBCSRSU-UEKDZROGSA-N 2 1 349.563 3.482 20 0 EGADMP CC(C)=CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385825 1383619272 /nfs/dbraw/zinc/61/92/72/1383619272.db2.gz VAVLDXDMHLWXJW-GOSISDBHSA-N 2 1 335.536 3.092 20 0 EGADMP C[C@@H](C(=O)N[C@]1(C)CC[NH+](Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001300205946 1383652441 /nfs/dbraw/zinc/65/24/41/1383652441.db2.gz BFPXEVVLKZQSIC-TWFHAPMSSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001300205946 1383652445 /nfs/dbraw/zinc/65/24/45/1383652445.db2.gz BFPXEVVLKZQSIC-TWFHAPMSSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001300205946 1383652449 /nfs/dbraw/zinc/65/24/49/1383652449.db2.gz BFPXEVVLKZQSIC-TWFHAPMSSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001167636774 1383695174 /nfs/dbraw/zinc/69/51/74/1383695174.db2.gz ZBFKIROQQGNWDN-IBGZPJMESA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001167640269 1383695901 /nfs/dbraw/zinc/69/59/01/1383695901.db2.gz LFXXJABSQBAXCX-UHFFFAOYSA-N 2 1 337.552 3.175 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001167685710 1383709696 /nfs/dbraw/zinc/70/96/96/1383709696.db2.gz JXXYNYZACIOHEC-ZACQAIPSSA-N 2 1 339.524 3.048 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001167685710 1383709702 /nfs/dbraw/zinc/70/97/02/1383709702.db2.gz JXXYNYZACIOHEC-ZACQAIPSSA-N 2 1 339.524 3.048 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001167685710 1383709707 /nfs/dbraw/zinc/70/97/07/1383709707.db2.gz JXXYNYZACIOHEC-ZACQAIPSSA-N 2 1 339.524 3.048 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC=C(C)C)CC1 ZINC001167694894 1383713120 /nfs/dbraw/zinc/71/31/20/1383713120.db2.gz ZJSBUBGUOBLNPR-IBGZPJMESA-N 2 1 349.563 3.483 20 0 EGADMP Cc1[nH+]c(N)ccc1CNc1cc(C[NH+](C)C)ccc1Br ZINC001167788237 1383741509 /nfs/dbraw/zinc/74/15/09/1383741509.db2.gz UHUFCBVVWNZQTI-UHFFFAOYSA-N 2 1 349.276 3.408 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001167812823 1383746436 /nfs/dbraw/zinc/74/64/36/1383746436.db2.gz WKMSFQXVDFIXCY-UHFFFAOYSA-N 2 1 349.563 3.485 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001167823765 1383749563 /nfs/dbraw/zinc/74/95/63/1383749563.db2.gz FICNHHTXSPIYQF-DFQSSKMNSA-N 2 1 338.536 3.157 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ncc(C)cn2)C1 ZINC001167836190 1383754054 /nfs/dbraw/zinc/75/40/54/1383754054.db2.gz XCPDBAYKBIBWNM-QZTJIDSGSA-N 2 1 334.508 3.139 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](Oc2cc(C)ncn2)C1 ZINC001167836252 1383754843 /nfs/dbraw/zinc/75/48/43/1383754843.db2.gz YKGMGZJBCBNWKR-MSOLQXFVSA-N 2 1 334.508 3.139 20 0 EGADMP CCOC(=O)N1CCC([N@@H+](C)[C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001167837507 1383755316 /nfs/dbraw/zinc/75/53/16/1383755316.db2.gz LTGWONBTTSZGGU-INIZCTEOSA-N 2 1 327.513 3.050 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001167840110 1383755685 /nfs/dbraw/zinc/75/56/85/1383755685.db2.gz DUVCSNDNKNKEHU-GVDBMIGSSA-N 2 1 339.524 3.048 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC001167840106 1383755816 /nfs/dbraw/zinc/75/58/16/1383755816.db2.gz DTVSRZCWQRRZHS-LJQANCHMSA-N 2 1 345.531 3.345 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001167840111 1383756145 /nfs/dbraw/zinc/75/61/45/1383756145.db2.gz DUVCSNDNKNKEHU-ULQDDVLXSA-N 2 1 339.524 3.048 20 0 EGADMP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001302916582 1383772978 /nfs/dbraw/zinc/77/29/78/1383772978.db2.gz PDPMCIODLYVSBC-GOSISDBHSA-N 2 1 329.488 3.484 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001302916582 1383772982 /nfs/dbraw/zinc/77/29/82/1383772982.db2.gz PDPMCIODLYVSBC-GOSISDBHSA-N 2 1 329.488 3.484 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]21 ZINC001167941609 1383773850 /nfs/dbraw/zinc/77/38/50/1383773850.db2.gz QZTXBKZOIDDFPR-JFLLUYDKSA-N 2 1 325.500 3.412 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]21 ZINC001167941609 1383773854 /nfs/dbraw/zinc/77/38/54/1383773854.db2.gz QZTXBKZOIDDFPR-JFLLUYDKSA-N 2 1 325.500 3.412 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]21 ZINC001167941609 1383773858 /nfs/dbraw/zinc/77/38/58/1383773858.db2.gz QZTXBKZOIDDFPR-JFLLUYDKSA-N 2 1 325.500 3.412 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]21 ZINC001167941609 1383773862 /nfs/dbraw/zinc/77/38/62/1383773862.db2.gz QZTXBKZOIDDFPR-JFLLUYDKSA-N 2 1 325.500 3.412 20 0 EGADMP COc1cccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167963888 1383780761 /nfs/dbraw/zinc/78/07/61/1383780761.db2.gz HHVPHGDMLSBMNY-AYHJJNSGSA-N 2 1 330.472 3.069 20 0 EGADMP CCOC(=O)[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H]1C ZINC001167994447 1383790973 /nfs/dbraw/zinc/79/09/73/1383790973.db2.gz DPBXIOSUZFUBEW-NYJIRUKSSA-N 2 1 334.504 3.055 20 0 EGADMP CCOC(=O)[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@@H]1C ZINC001167994447 1383790977 /nfs/dbraw/zinc/79/09/77/1383790977.db2.gz DPBXIOSUZFUBEW-NYJIRUKSSA-N 2 1 334.504 3.055 20 0 EGADMP CCOC(=O)[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@@H]1C ZINC001167994447 1383790982 /nfs/dbraw/zinc/79/09/82/1383790982.db2.gz DPBXIOSUZFUBEW-NYJIRUKSSA-N 2 1 334.504 3.055 20 0 EGADMP c1cncc(OC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167995433 1383792148 /nfs/dbraw/zinc/79/21/48/1383792148.db2.gz FHTXANJFZDNVNX-DFNIBXOVSA-N 2 1 341.499 3.330 20 0 EGADMP Cc1ccnn1C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168002463 1383793479 /nfs/dbraw/zinc/79/34/79/1383793479.db2.gz SXRCKYOPUBICPI-YOFSQIOKSA-N 2 1 328.504 3.234 20 0 EGADMP F[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@@H]1[NH+]1CCCCC1 ZINC001168004900 1383794023 /nfs/dbraw/zinc/79/40/23/1383794023.db2.gz BMVDBHIVESGGMM-CADMSHOASA-N 2 1 349.538 3.290 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[C@]3(CC[NH+](C)C3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059885 1383806429 /nfs/dbraw/zinc/80/64/29/1383806429.db2.gz VSCZCWBTKOGFTG-MXNKGDRCSA-N 2 1 341.543 3.456 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[C@]3(CC[N@H+](C)C3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059885 1383806434 /nfs/dbraw/zinc/80/64/34/1383806434.db2.gz VSCZCWBTKOGFTG-MXNKGDRCSA-N 2 1 341.543 3.456 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[C@]3(CC[N@@H+](C)C3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059885 1383806440 /nfs/dbraw/zinc/80/64/40/1383806440.db2.gz VSCZCWBTKOGFTG-MXNKGDRCSA-N 2 1 341.543 3.456 20 0 EGADMP C[C@@H]1C[C@@H](N2CCC[C@@H]3C[NH+](C)C[C@H]32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065701 1383807774 /nfs/dbraw/zinc/80/77/74/1383807774.db2.gz XSWMHSXDDZQZHE-HVYFLLBWSA-N 2 1 341.543 3.454 20 0 EGADMP C[C@@H]1C[C@@H](N2CCC[C@@H]3C[N@H+](C)C[C@H]32)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065701 1383807777 /nfs/dbraw/zinc/80/77/77/1383807777.db2.gz XSWMHSXDDZQZHE-HVYFLLBWSA-N 2 1 341.543 3.454 20 0 EGADMP C[C@@H]1C[C@@H](N2CCC[C@@H]3C[N@@H+](C)C[C@H]32)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065701 1383807780 /nfs/dbraw/zinc/80/77/80/1383807780.db2.gz XSWMHSXDDZQZHE-HVYFLLBWSA-N 2 1 341.543 3.454 20 0 EGADMP C[C@H](Cc1ccc(Cl)cc1)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001168178929 1383835442 /nfs/dbraw/zinc/83/54/42/1383835442.db2.gz YZPKXXKEAVDNHD-CQSZACIVSA-N 2 1 335.879 3.401 20 0 EGADMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C3CCC(C)CC3)CC[C@@H]21 ZINC001168214970 1383845942 /nfs/dbraw/zinc/84/59/42/1383845942.db2.gz JOBNTRVFXXJPFB-RUDWHLCBSA-N 2 1 345.535 3.030 20 0 EGADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C3CCC(C)CC3)CC[C@@H]21 ZINC001168214970 1383845946 /nfs/dbraw/zinc/84/59/46/1383845946.db2.gz JOBNTRVFXXJPFB-RUDWHLCBSA-N 2 1 345.535 3.030 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C3CCC(C)CC3)CC[C@@H]21 ZINC001168214970 1383845955 /nfs/dbraw/zinc/84/59/55/1383845955.db2.gz JOBNTRVFXXJPFB-RUDWHLCBSA-N 2 1 345.535 3.030 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C3CCC(C)CC3)CC[C@@H]21 ZINC001168214970 1383845960 /nfs/dbraw/zinc/84/59/60/1383845960.db2.gz JOBNTRVFXXJPFB-RUDWHLCBSA-N 2 1 345.535 3.030 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC([NH+]3CCC(F)CC3)CC1)C2 ZINC001168284184 1383862920 /nfs/dbraw/zinc/86/29/20/1383862920.db2.gz RZXQNPDVJJVMKA-LJQANCHMSA-N 2 1 332.463 3.061 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001168297390 1383866696 /nfs/dbraw/zinc/86/66/96/1383866696.db2.gz PNHWUXWDMPNQHH-HDICACEKSA-N 2 1 349.563 3.316 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)CC1 ZINC001168323795 1383873138 /nfs/dbraw/zinc/87/31/38/1383873138.db2.gz CPUFJYIDUDPKRR-UEKLYDJUSA-N 2 1 327.516 3.066 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001168330550 1383875513 /nfs/dbraw/zinc/87/55/13/1383875513.db2.gz RWYQCIXGCUGBNB-GKYDQMIMSA-N 2 1 327.516 3.066 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001168344487 1383879339 /nfs/dbraw/zinc/87/93/39/1383879339.db2.gz CJTGEILKYBNGHA-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)CCNC(=O)[C@H](CC(C)C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168363095 1383883952 /nfs/dbraw/zinc/88/39/52/1383883952.db2.gz SKMDKPCHSJFZKN-IBGZPJMESA-N 2 1 337.552 3.027 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001168363916 1383884706 /nfs/dbraw/zinc/88/47/06/1383884706.db2.gz WWSCGYKWWJSCOL-UHFFFAOYSA-N 2 1 334.508 3.038 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CCN([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168442950 1383907419 /nfs/dbraw/zinc/90/74/19/1383907419.db2.gz XYFUGHQPGRTJJT-RTWAWAEBSA-N 2 1 346.490 3.258 20 0 EGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168442950 1383907421 /nfs/dbraw/zinc/90/74/21/1383907421.db2.gz XYFUGHQPGRTJJT-RTWAWAEBSA-N 2 1 346.490 3.258 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168442950 1383907427 /nfs/dbraw/zinc/90/74/27/1383907427.db2.gz XYFUGHQPGRTJJT-RTWAWAEBSA-N 2 1 346.490 3.258 20 0 EGADMP CC[C@H](C)C[NH2+]CC1(CCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001168463392 1383913086 /nfs/dbraw/zinc/91/30/86/1383913086.db2.gz RZTHNDSNUVVXMF-SFHVURJKSA-N 2 1 345.531 3.041 20 0 EGADMP CC[C@H](C)C[NH2+]CC1(CCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001168463392 1383913090 /nfs/dbraw/zinc/91/30/90/1383913090.db2.gz RZTHNDSNUVVXMF-SFHVURJKSA-N 2 1 345.531 3.041 20 0 EGADMP Fc1cc(OCC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)ccc1Cl ZINC001307874969 1384047681 /nfs/dbraw/zinc/04/76/81/1384047681.db2.gz FXRNEYXSZFIUMU-UHFFFAOYSA-N 2 1 349.837 3.465 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)C2 ZINC001169092224 1384105397 /nfs/dbraw/zinc/10/53/97/1384105397.db2.gz AERPAEZIJFVTOH-BCDXTJNWSA-N 2 1 330.472 3.357 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)C2 ZINC001169092224 1384105398 /nfs/dbraw/zinc/10/53/98/1384105398.db2.gz AERPAEZIJFVTOH-BCDXTJNWSA-N 2 1 330.472 3.357 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)C2 ZINC001169094945 1384106172 /nfs/dbraw/zinc/10/61/72/1384106172.db2.gz NVPOBGRBSXOSTI-XABIJQAGSA-N 2 1 337.508 3.037 20 0 EGADMP Cc1cc(F)cc(CN2CCC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001169108813 1384108206 /nfs/dbraw/zinc/10/82/06/1384108206.db2.gz CKFLADHVWFVACH-WKCHPHFGSA-N 2 1 345.506 3.313 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccc(F)c(F)c3)CC1)C2 ZINC001169110570 1384108878 /nfs/dbraw/zinc/10/88/78/1384108878.db2.gz MXGLKXPOKKFZRY-BCDXTJNWSA-N 2 1 349.469 3.144 20 0 EGADMP COc1ccc([C@@H]2CSCC[N@@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169142452 1384112942 /nfs/dbraw/zinc/11/29/42/1384112942.db2.gz UWMDIKWLKBFAIF-FAJBIJEISA-N 2 1 332.513 3.410 20 0 EGADMP COc1ccc([C@@H]2CSCC[N@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169142452 1384112944 /nfs/dbraw/zinc/11/29/44/1384112944.db2.gz UWMDIKWLKBFAIF-FAJBIJEISA-N 2 1 332.513 3.410 20 0 EGADMP COc1ccc([C@@H]2CSCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169142452 1384112946 /nfs/dbraw/zinc/11/29/46/1384112946.db2.gz UWMDIKWLKBFAIF-FAJBIJEISA-N 2 1 332.513 3.410 20 0 EGADMP COc1ccc([C@@H]2CSCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169142452 1384112947 /nfs/dbraw/zinc/11/29/47/1384112947.db2.gz UWMDIKWLKBFAIF-FAJBIJEISA-N 2 1 332.513 3.410 20 0 EGADMP COc1cccc([C@@H]2CSCC[N@@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169154756 1384115986 /nfs/dbraw/zinc/11/59/86/1384115986.db2.gz UNGAHWRTRPVADD-FAJBIJEISA-N 2 1 332.513 3.410 20 0 EGADMP COc1cccc([C@@H]2CSCC[N@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169154756 1384115987 /nfs/dbraw/zinc/11/59/87/1384115987.db2.gz UNGAHWRTRPVADD-FAJBIJEISA-N 2 1 332.513 3.410 20 0 EGADMP COc1cccc([C@@H]2CSCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169154756 1384115988 /nfs/dbraw/zinc/11/59/88/1384115988.db2.gz UNGAHWRTRPVADD-FAJBIJEISA-N 2 1 332.513 3.410 20 0 EGADMP COc1cccc([C@@H]2CSCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169154756 1384115989 /nfs/dbraw/zinc/11/59/89/1384115989.db2.gz UNGAHWRTRPVADD-FAJBIJEISA-N 2 1 332.513 3.410 20 0 EGADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169163035 1384117747 /nfs/dbraw/zinc/11/77/47/1384117747.db2.gz XCTRTJWDDAIDJX-RDGPPVDQSA-N 2 1 328.456 3.235 20 0 EGADMP COC(=O)c1ccc([C@@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169163035 1384117749 /nfs/dbraw/zinc/11/77/49/1384117749.db2.gz XCTRTJWDDAIDJX-RDGPPVDQSA-N 2 1 328.456 3.235 20 0 EGADMP COC(=O)c1ccc([C@@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169163035 1384117753 /nfs/dbraw/zinc/11/77/53/1384117753.db2.gz XCTRTJWDDAIDJX-RDGPPVDQSA-N 2 1 328.456 3.235 20 0 EGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC001308421932 1384125050 /nfs/dbraw/zinc/12/50/50/1384125050.db2.gz JXHBBSSGUCONLG-QGZVFWFLSA-N 2 1 333.520 3.374 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC001308421932 1384125051 /nfs/dbraw/zinc/12/50/51/1384125051.db2.gz JXHBBSSGUCONLG-QGZVFWFLSA-N 2 1 333.520 3.374 20 0 EGADMP CC[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](CC)CC1 ZINC001169263587 1384129215 /nfs/dbraw/zinc/12/92/15/1384129215.db2.gz BKHZZOBYWANHIJ-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP CC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](CC)CC1 ZINC001169263587 1384129217 /nfs/dbraw/zinc/12/92/17/1384129217.db2.gz BKHZZOBYWANHIJ-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+](C1CCC([NH3+])CC1)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169271479 1384130785 /nfs/dbraw/zinc/13/07/85/1384130785.db2.gz DTNFUECPBQYJJR-UHFFFAOYSA-N 2 1 330.472 3.356 20 0 EGADMP CC1(C)CC[N@@H+](CCNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC001308548342 1384132106 /nfs/dbraw/zinc/13/21/06/1384132106.db2.gz PGRUAWWIFOSHQI-UHFFFAOYSA-N 2 1 347.522 3.154 20 0 EGADMP CCOC(=O)N1CCC[C@@H]([N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])CC1 ZINC001169664516 1384170393 /nfs/dbraw/zinc/17/03/93/1384170393.db2.gz OAHYHCIQEBMFPK-PKOBYXMFSA-N 2 1 347.503 3.094 20 0 EGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)C1 ZINC001170138898 1384245666 /nfs/dbraw/zinc/24/56/66/1384245666.db2.gz SOBLJEYXLAXJKZ-TZMRYXNNSA-N 2 1 342.531 3.247 20 0 EGADMP C[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)C1 ZINC001170138898 1384245670 /nfs/dbraw/zinc/24/56/70/1384245670.db2.gz SOBLJEYXLAXJKZ-TZMRYXNNSA-N 2 1 342.531 3.247 20 0 EGADMP C[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)C1 ZINC001170138898 1384245671 /nfs/dbraw/zinc/24/56/71/1384245671.db2.gz SOBLJEYXLAXJKZ-TZMRYXNNSA-N 2 1 342.531 3.247 20 0 EGADMP CN(C)c1cc(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc[nH+]1 ZINC001311078485 1384256676 /nfs/dbraw/zinc/25/66/76/1384256676.db2.gz KJSVMKXKCRPAHS-KRWDZBQOSA-N 2 1 345.491 3.066 20 0 EGADMP CN(C)c1cc(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc[nH+]1 ZINC001311078485 1384256680 /nfs/dbraw/zinc/25/66/80/1384256680.db2.gz KJSVMKXKCRPAHS-KRWDZBQOSA-N 2 1 345.491 3.066 20 0 EGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001170239353 1384273662 /nfs/dbraw/zinc/27/36/62/1384273662.db2.gz MKGJCBVVEZXZJV-PLACYPQZSA-N 2 1 328.500 3.398 20 0 EGADMP CC[C@@H]1C[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001170239353 1384273665 /nfs/dbraw/zinc/27/36/65/1384273665.db2.gz MKGJCBVVEZXZJV-PLACYPQZSA-N 2 1 328.500 3.398 20 0 EGADMP CC[C@@H]1C[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001170239353 1384273666 /nfs/dbraw/zinc/27/36/66/1384273666.db2.gz MKGJCBVVEZXZJV-PLACYPQZSA-N 2 1 328.500 3.398 20 0 EGADMP [NH3+][C@H]1CCC[C@@H](Nc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)C1 ZINC001170620660 1384351578 /nfs/dbraw/zinc/35/15/78/1384351578.db2.gz PTEWINGYDPGYJD-ZMSDIMECSA-N 3 1 327.476 3.033 20 0 EGADMP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)CC1 ZINC001170745453 1384376629 /nfs/dbraw/zinc/37/66/29/1384376629.db2.gz GXUUNQMAJYPWEN-LDLYASANSA-N 2 1 348.531 3.161 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCCCF ZINC001170749631 1384377581 /nfs/dbraw/zinc/37/75/81/1384377581.db2.gz AEWWXPSXYMEWFB-ROUUACIJSA-N 2 1 343.531 3.264 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C)c1 ZINC001170785684 1384385530 /nfs/dbraw/zinc/38/55/30/1384385530.db2.gz UPXRGINDMVBPRG-FQEVSTJZSA-N 2 1 345.531 3.246 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH2+]CCCC1CCC1)c1ccccc1 ZINC001170867760 1384401524 /nfs/dbraw/zinc/40/15/24/1384401524.db2.gz MFQQZITYRDQUGM-FQEVSTJZSA-N 2 1 345.531 3.356 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCCF ZINC001170878258 1384403409 /nfs/dbraw/zinc/40/34/09/1384403409.db2.gz MGTWRTOEGWJLKY-HOTGVXAUSA-N 2 1 340.487 3.021 20 0 EGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001170878535 1384403466 /nfs/dbraw/zinc/40/34/66/1384403466.db2.gz ONKGPOJYLQSUHI-SJORKVTESA-N 2 1 336.524 3.461 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001171120974 1384449780 /nfs/dbraw/zinc/44/97/80/1384449780.db2.gz QLVKOUKRYPYMHB-QUCCMNQESA-N 2 1 345.531 3.326 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001171122357 1384450120 /nfs/dbraw/zinc/45/01/20/1384450120.db2.gz ZYMODTIQWAANEC-PKOBYXMFSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171261716 1384481581 /nfs/dbraw/zinc/48/15/81/1384481581.db2.gz ZIMDBCTXJCWLLK-QGZVFWFLSA-N 2 1 337.552 3.316 20 0 EGADMP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171537535 1384555870 /nfs/dbraw/zinc/55/58/70/1384555870.db2.gz DSKVHJFYMFSIJH-AZUAARDMSA-N 2 1 345.531 3.244 20 0 EGADMP COCc1cccc([C@H](CO)[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171628685 1384585206 /nfs/dbraw/zinc/58/52/06/1384585206.db2.gz GIPAVHCDAVDKOX-SFHVURJKSA-N 2 1 334.504 3.107 20 0 EGADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171732692 1384618158 /nfs/dbraw/zinc/61/81/58/1384618158.db2.gz LETLTBJKSDXYMW-ZVDOUQERSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171732692 1384618159 /nfs/dbraw/zinc/61/81/59/1384618159.db2.gz LETLTBJKSDXYMW-ZVDOUQERSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[NH+](C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171755015 1384625904 /nfs/dbraw/zinc/62/59/04/1384625904.db2.gz LCGGDRWKCNWTQW-WIYYLYMNSA-N 2 1 327.516 3.210 20 0 EGADMP C[C@@H]1C[C@H](N2CCC3(CC2)CC[NH+](C)CC3)C[N@H+]1Cc1ccccc1 ZINC001171760652 1384627357 /nfs/dbraw/zinc/62/73/57/1384627357.db2.gz YYCZKPOEDWODST-CTNGQTDRSA-N 2 1 341.543 3.457 20 0 EGADMP C[C@H]1C[C@H](N2CCC[C@@H]2C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171765271 1384629418 /nfs/dbraw/zinc/62/94/18/1384629418.db2.gz XNGZNAPDCLUCST-TYPHKJRUSA-N 2 1 327.516 3.210 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[N@H+]1Cc1ccccc1 ZINC001171769581 1384630113 /nfs/dbraw/zinc/63/01/13/1384630113.db2.gz UOEPNTSVOJUPLV-PBASOCQRSA-N 2 1 345.506 3.158 20 0 EGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171829208 1384653178 /nfs/dbraw/zinc/65/31/78/1384653178.db2.gz VEYKZPNLGRABMR-MRXNPFEDSA-N 2 1 339.524 3.368 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCF)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001171917681 1384681299 /nfs/dbraw/zinc/68/12/99/1384681299.db2.gz CRSPBBUYXNPQQQ-KRWDZBQOSA-N 2 1 343.531 3.265 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974211 1384700343 /nfs/dbraw/zinc/70/03/43/1384700343.db2.gz DTOYCJKZHSLZKM-OTWHNJEPSA-N 2 1 344.499 3.361 20 0 EGADMP COC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171974830 1384700562 /nfs/dbraw/zinc/70/05/62/1384700562.db2.gz ATIRWUAOBZPMOQ-FHWLQOOXSA-N 2 1 344.499 3.361 20 0 EGADMP COCCOCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978995 1384702206 /nfs/dbraw/zinc/70/22/06/1384702206.db2.gz JYJAANNEBCNKSN-IBGZPJMESA-N 2 1 334.504 3.072 20 0 EGADMP C[N@@H+](CCC1OCCO1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171986025 1384703068 /nfs/dbraw/zinc/70/30/68/1384703068.db2.gz FHZDAUKFEOQKOQ-GOSISDBHSA-N 2 1 332.488 3.124 20 0 EGADMP C[NH+](CCC1OCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986025 1384703071 /nfs/dbraw/zinc/70/30/71/1384703071.db2.gz FHZDAUKFEOQKOQ-GOSISDBHSA-N 2 1 332.488 3.124 20 0 EGADMP C[NH+](CCC1OCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986025 1384703074 /nfs/dbraw/zinc/70/30/74/1384703074.db2.gz FHZDAUKFEOQKOQ-GOSISDBHSA-N 2 1 332.488 3.124 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172004925 1384708272 /nfs/dbraw/zinc/70/82/72/1384708272.db2.gz LJCWUBPHMBXEEU-ATZDWAIDSA-N 2 1 333.520 3.044 20 0 EGADMP CCN1CC[C@@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001172029962 1384711410 /nfs/dbraw/zinc/71/14/10/1384711410.db2.gz GMNSCQNLGHSISF-GUDVDZBRSA-N 2 1 335.536 3.150 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@H]2CN4CCC2CC4)C3)cc1 ZINC001172060496 1384713926 /nfs/dbraw/zinc/71/39/26/1384713926.db2.gz ASNCAELJHBUSSU-LRSLUSHPSA-N 2 1 339.527 3.256 20 0 EGADMP CN1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172061592 1384715472 /nfs/dbraw/zinc/71/54/72/1384715472.db2.gz HQBBWLOAWFJWQN-NCYKPQTJSA-N 2 1 327.516 3.256 20 0 EGADMP C[N@@H+]1CCC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061592 1384715475 /nfs/dbraw/zinc/71/54/75/1384715475.db2.gz HQBBWLOAWFJWQN-NCYKPQTJSA-N 2 1 327.516 3.256 20 0 EGADMP C[N@H+]1CCC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061592 1384715479 /nfs/dbraw/zinc/71/54/79/1384715479.db2.gz HQBBWLOAWFJWQN-NCYKPQTJSA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+]1CCC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172061592 1384715481 /nfs/dbraw/zinc/71/54/81/1384715481.db2.gz HQBBWLOAWFJWQN-NCYKPQTJSA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+]1CCC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172061592 1384715483 /nfs/dbraw/zinc/71/54/83/1384715483.db2.gz HQBBWLOAWFJWQN-NCYKPQTJSA-N 2 1 327.516 3.256 20 0 EGADMP [NH3+][C@H]1CCC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172063154 1384715583 /nfs/dbraw/zinc/71/55/83/1384715583.db2.gz XBBRXTYPXBQCRM-HGJUEJDCSA-N 2 1 327.516 3.432 20 0 EGADMP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172063154 1384715586 /nfs/dbraw/zinc/71/55/86/1384715586.db2.gz XBBRXTYPXBQCRM-HGJUEJDCSA-N 3 1 327.516 3.432 20 0 EGADMP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172063154 1384715588 /nfs/dbraw/zinc/71/55/88/1384715588.db2.gz XBBRXTYPXBQCRM-HGJUEJDCSA-N 3 1 327.516 3.432 20 0 EGADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@H]1O ZINC001172069286 1384717890 /nfs/dbraw/zinc/71/78/90/1384717890.db2.gz OSXBNCCTVNUVEY-BVJIBDCISA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@H]1O ZINC001172069286 1384717898 /nfs/dbraw/zinc/71/78/98/1384717898.db2.gz OSXBNCCTVNUVEY-BVJIBDCISA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@H]1O ZINC001172069286 1384717900 /nfs/dbraw/zinc/71/79/00/1384717900.db2.gz OSXBNCCTVNUVEY-BVJIBDCISA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@H]1O ZINC001172069286 1384717905 /nfs/dbraw/zinc/71/79/05/1384717905.db2.gz OSXBNCCTVNUVEY-BVJIBDCISA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1[C@H](CO)CC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172070310 1384718039 /nfs/dbraw/zinc/71/80/39/1384718039.db2.gz YVDCKSDXVBTIMP-KPACCLEDSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1[C@H](CO)CC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172070310 1384718044 /nfs/dbraw/zinc/71/80/44/1384718044.db2.gz YVDCKSDXVBTIMP-KPACCLEDSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1[C@H](CO)CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172070310 1384718046 /nfs/dbraw/zinc/71/80/46/1384718046.db2.gz YVDCKSDXVBTIMP-KPACCLEDSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1[C@H](CO)CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172070310 1384718048 /nfs/dbraw/zinc/71/80/48/1384718048.db2.gz YVDCKSDXVBTIMP-KPACCLEDSA-N 2 1 328.500 3.275 20 0 EGADMP O[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172069135 1384718509 /nfs/dbraw/zinc/71/85/09/1384718509.db2.gz GSFJRJIDWAGHSP-CMMDMPAISA-N 2 1 328.500 3.465 20 0 EGADMP O[C@@H](C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)(F)F ZINC001172072435 1384720755 /nfs/dbraw/zinc/72/07/55/1384720755.db2.gz MMRBLYKAEIYLNF-YVSFHVDLSA-N 2 1 342.405 3.085 20 0 EGADMP O[C@@H](C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)(F)F ZINC001172072435 1384720760 /nfs/dbraw/zinc/72/07/60/1384720760.db2.gz MMRBLYKAEIYLNF-YVSFHVDLSA-N 2 1 342.405 3.085 20 0 EGADMP O=c1[nH]cccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075823 1384720815 /nfs/dbraw/zinc/72/08/15/1384720815.db2.gz FUKVHZPYSKKUFW-OWZKRDHZSA-N 2 1 337.467 3.463 20 0 EGADMP O=c1[nH]cccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075823 1384720818 /nfs/dbraw/zinc/72/08/18/1384720818.db2.gz FUKVHZPYSKKUFW-OWZKRDHZSA-N 2 1 337.467 3.463 20 0 EGADMP OC[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172080360 1384722140 /nfs/dbraw/zinc/72/21/40/1384722140.db2.gz ULWWQFNJKRUUFH-CGXNFDGLSA-N 2 1 328.500 3.276 20 0 EGADMP OC[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172080360 1384722142 /nfs/dbraw/zinc/72/21/42/1384722142.db2.gz ULWWQFNJKRUUFH-CGXNFDGLSA-N 2 1 328.500 3.276 20 0 EGADMP OC[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172080360 1384722143 /nfs/dbraw/zinc/72/21/43/1384722143.db2.gz ULWWQFNJKRUUFH-CGXNFDGLSA-N 2 1 328.500 3.276 20 0 EGADMP OC[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172080360 1384722146 /nfs/dbraw/zinc/72/21/46/1384722146.db2.gz ULWWQFNJKRUUFH-CGXNFDGLSA-N 2 1 328.500 3.276 20 0 EGADMP COc1cccc2c1C[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CS2 ZINC001172113190 1384730764 /nfs/dbraw/zinc/73/07/64/1384730764.db2.gz HJXWFPXQIYPRAW-FPCVCCKLSA-N 2 1 332.513 3.317 20 0 EGADMP COc1cccc2c1C[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CS2 ZINC001172113190 1384730767 /nfs/dbraw/zinc/73/07/67/1384730767.db2.gz HJXWFPXQIYPRAW-FPCVCCKLSA-N 2 1 332.513 3.317 20 0 EGADMP COc1ccc2c(CC[NH3+])cn([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)c2c1 ZINC001172118240 1384732651 /nfs/dbraw/zinc/73/26/51/1384732651.db2.gz PRLBEBIZYZUWNY-FVQHAEBGSA-N 2 1 327.472 3.339 20 0 EGADMP Cc1cccnc1O[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172133586 1384739157 /nfs/dbraw/zinc/73/91/57/1384739157.db2.gz TXFWZXRJOBSRRI-FCGDIQPGSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1cccnc1O[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172133586 1384739158 /nfs/dbraw/zinc/73/91/58/1384739158.db2.gz TXFWZXRJOBSRRI-FCGDIQPGSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1cccnc1O[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172133586 1384739161 /nfs/dbraw/zinc/73/91/61/1384739161.db2.gz TXFWZXRJOBSRRI-FCGDIQPGSA-N 2 1 329.488 3.249 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1CC[NH+](CCCC2CCC2)C1)C1CCCCC1 ZINC001316981903 1384739333 /nfs/dbraw/zinc/73/93/33/1384739333.db2.gz RFLCCZBPOFYDGP-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)C1)C1CCCCC1 ZINC001316981903 1384739335 /nfs/dbraw/zinc/73/93/35/1384739335.db2.gz RFLCCZBPOFYDGP-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1)C1CCCCC1 ZINC001316981903 1384739337 /nfs/dbraw/zinc/73/93/37/1384739337.db2.gz RFLCCZBPOFYDGP-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001172356729 1384776237 /nfs/dbraw/zinc/77/62/37/1384776237.db2.gz ZWJKFRCORYKGJL-SJORKVTESA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001172356729 1384776240 /nfs/dbraw/zinc/77/62/40/1384776240.db2.gz ZWJKFRCORYKGJL-SJORKVTESA-N 2 1 326.525 3.155 20 0 EGADMP CCOCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172423506 1384789224 /nfs/dbraw/zinc/78/92/24/1384789224.db2.gz IAPLBNFYFNATCN-FMWKFLBASA-N 2 1 345.531 3.429 20 0 EGADMP CCOCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172423506 1384789226 /nfs/dbraw/zinc/78/92/26/1384789226.db2.gz IAPLBNFYFNATCN-FMWKFLBASA-N 2 1 345.531 3.429 20 0 EGADMP CCOCC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172423506 1384789228 /nfs/dbraw/zinc/78/92/28/1384789228.db2.gz IAPLBNFYFNATCN-FMWKFLBASA-N 2 1 345.531 3.429 20 0 EGADMP CCOCC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172423506 1384789230 /nfs/dbraw/zinc/78/92/30/1384789230.db2.gz IAPLBNFYFNATCN-FMWKFLBASA-N 2 1 345.531 3.429 20 0 EGADMP CC1(C)CC([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC(C)(C)O1 ZINC001172650048 1384825677 /nfs/dbraw/zinc/82/56/77/1384825677.db2.gz FUKUBGMUXIYVCP-BWTSREIZSA-N 2 1 328.500 3.443 20 0 EGADMP CC1(C)CC([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC(C)(C)O1 ZINC001172650048 1384825681 /nfs/dbraw/zinc/82/56/81/1384825681.db2.gz FUKUBGMUXIYVCP-BWTSREIZSA-N 2 1 328.500 3.443 20 0 EGADMP COC(=O)N1CCC([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172734986 1384840213 /nfs/dbraw/zinc/84/02/13/1384840213.db2.gz YMGFSBBJHRXXTN-JCNLHEQBSA-N 2 1 337.508 3.122 20 0 EGADMP CC[N@H+]1CCO[C@@H]2CN([C@H](C)Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001172869458 1384869409 /nfs/dbraw/zinc/86/94/09/1384869409.db2.gz ZTTUMUGOCQSGGI-QIIPPGSGSA-N 2 1 340.870 3.063 20 0 EGADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001172953643 1384888930 /nfs/dbraw/zinc/88/89/30/1384888930.db2.gz KLDSZOUZJFCBIS-JYJNAYRXSA-N 2 1 327.513 3.094 20 0 EGADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001172965209 1384891899 /nfs/dbraw/zinc/89/18/99/1384891899.db2.gz YZEYRARLXGMLNV-DLBZAZTESA-N 2 1 341.540 3.473 20 0 EGADMP CC[NH+](CC)C1CCC([N@@H+]2CCN(c3ccc(F)cc3)C(=O)C2)CC1 ZINC001173113165 1384917779 /nfs/dbraw/zinc/91/77/79/1384917779.db2.gz JVUAKJKAMVMDBD-UHFFFAOYSA-N 2 1 347.478 3.127 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCN(c3ccc(F)cc3)C(=O)C2)CC1 ZINC001173113165 1384917782 /nfs/dbraw/zinc/91/77/82/1384917782.db2.gz JVUAKJKAMVMDBD-UHFFFAOYSA-N 2 1 347.478 3.127 20 0 EGADMP COc1cccc2c1C[C@H]([N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+])CO2 ZINC001173165051 1384928118 /nfs/dbraw/zinc/92/81/18/1384928118.db2.gz RKENTQJKHZTMAP-WMZOPIPTSA-N 2 1 340.467 3.096 20 0 EGADMP CC[C@H]1CC[C@H]([NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)C1 ZINC001173267018 1384947957 /nfs/dbraw/zinc/94/79/57/1384947957.db2.gz IHWFQLWKBIKHME-IRXDYDNUSA-N 2 1 341.540 3.391 20 0 EGADMP CC[C@H]1CC[C@@H]([N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001173280987 1384949884 /nfs/dbraw/zinc/94/98/84/1384949884.db2.gz QRGTWSUARNEXMI-OYNPSCLESA-N 2 1 343.515 3.183 20 0 EGADMP CC[C@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001173280987 1384949887 /nfs/dbraw/zinc/94/98/87/1384949887.db2.gz QRGTWSUARNEXMI-OYNPSCLESA-N 2 1 343.515 3.183 20 0 EGADMP CC[C@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001173280987 1384949889 /nfs/dbraw/zinc/94/98/89/1384949889.db2.gz QRGTWSUARNEXMI-OYNPSCLESA-N 2 1 343.515 3.183 20 0 EGADMP CC[C@H]1CC[C@@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001173279971 1384950651 /nfs/dbraw/zinc/95/06/51/1384950651.db2.gz NHKBDMNUWNSRJT-OYNPSCLESA-N 2 1 343.515 3.183 20 0 EGADMP CC[C@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001173279971 1384950653 /nfs/dbraw/zinc/95/06/53/1384950653.db2.gz NHKBDMNUWNSRJT-OYNPSCLESA-N 2 1 343.515 3.183 20 0 EGADMP CC[C@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001173279971 1384950655 /nfs/dbraw/zinc/95/06/55/1384950655.db2.gz NHKBDMNUWNSRJT-OYNPSCLESA-N 2 1 343.515 3.183 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCCC1CCCC1)[NH+](C)C ZINC001317177572 1384951465 /nfs/dbraw/zinc/95/14/65/1384951465.db2.gz IHXZMHPGFCEOSG-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@H+]1CC[C@H](N2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001173366805 1384966024 /nfs/dbraw/zinc/96/60/24/1384966024.db2.gz BYSZOPJWWAXEKS-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP CC[NH+]1CC[C@H](N2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001173366805 1384966027 /nfs/dbraw/zinc/96/60/27/1384966027.db2.gz BYSZOPJWWAXEKS-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP CC[NH+]1CC[C@H](N2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001173366805 1384966031 /nfs/dbraw/zinc/96/60/31/1384966031.db2.gz BYSZOPJWWAXEKS-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP COC(=O)CCCC[C@@H](C)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001173446309 1384972068 /nfs/dbraw/zinc/97/20/68/1384972068.db2.gz RQVUQSDKUHNOEP-OAHLLOKOSA-N 2 1 336.451 3.197 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC(C)C)C1 ZINC001174880770 1385164329 /nfs/dbraw/zinc/16/43/29/1385164329.db2.gz HEWBUMXLQALGEJ-MSOLQXFVSA-N 2 1 325.541 3.029 20 0 EGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174905152 1385168400 /nfs/dbraw/zinc/16/84/00/1385168400.db2.gz GILCMDBSRCYMRF-SQNIBIBYSA-N 2 1 325.541 3.172 20 0 EGADMP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(F)c(Cl)c1)CC(C)C ZINC001174917283 1385169321 /nfs/dbraw/zinc/16/93/21/1385169321.db2.gz YDROVCASORTKFZ-HNNXBMFYSA-N 2 1 330.875 3.250 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(F)c(Cl)c1)CC(C)C ZINC001174917283 1385169325 /nfs/dbraw/zinc/16/93/25/1385169325.db2.gz YDROVCASORTKFZ-HNNXBMFYSA-N 2 1 330.875 3.250 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(F)c(Cl)c1)CC(C)C ZINC001174917283 1385169328 /nfs/dbraw/zinc/16/93/28/1385169328.db2.gz YDROVCASORTKFZ-HNNXBMFYSA-N 2 1 330.875 3.250 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(F)c(Cl)c1)CC(C)C ZINC001174917283 1385169330 /nfs/dbraw/zinc/16/93/30/1385169330.db2.gz YDROVCASORTKFZ-HNNXBMFYSA-N 2 1 330.875 3.250 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CCC1CC1 ZINC001317484654 1385181671 /nfs/dbraw/zinc/18/16/71/1385181671.db2.gz RQPLLZMYFHFMHF-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)CCC1CC1 ZINC001317484654 1385181673 /nfs/dbraw/zinc/18/16/73/1385181673.db2.gz RQPLLZMYFHFMHF-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)CCC1CC1 ZINC001317484654 1385181675 /nfs/dbraw/zinc/18/16/75/1385181675.db2.gz RQPLLZMYFHFMHF-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001175262988 1385233734 /nfs/dbraw/zinc/23/37/34/1385233734.db2.gz MNPHVNTUTILHCN-OALUTQOASA-N 2 1 345.531 3.101 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC001175301388 1385243977 /nfs/dbraw/zinc/24/39/77/1385243977.db2.gz SBZIAUPDUDCNQA-YPAWHYETSA-N 2 1 338.495 3.405 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC001175301388 1385243982 /nfs/dbraw/zinc/24/39/82/1385243982.db2.gz SBZIAUPDUDCNQA-YPAWHYETSA-N 2 1 338.495 3.405 20 0 EGADMP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C[C@@H](O)c2cccc(F)c2)CC1 ZINC001175353195 1385263997 /nfs/dbraw/zinc/26/39/97/1385263997.db2.gz VAXHGUSLOYSPRS-WOJBJXKFSA-N 2 1 334.479 3.446 20 0 EGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2C[C@@H](O)c2cccc(F)c2)CC1 ZINC001175353195 1385264002 /nfs/dbraw/zinc/26/40/02/1385264002.db2.gz VAXHGUSLOYSPRS-WOJBJXKFSA-N 2 1 334.479 3.446 20 0 EGADMP Cc1c[nH+]c(Nc2ccc(C(=O)NCCC[NH+](C)C)cc2)c(C)c1 ZINC001175824364 1385414694 /nfs/dbraw/zinc/41/46/94/1385414694.db2.gz OISQMLPKBMDANQ-UHFFFAOYSA-N 2 1 326.444 3.124 20 0 EGADMP CC[C@H](C(=O)NC1C[NH+]([C@@H](CC)c2ccccc2)C1)[NH+](CC)CC ZINC001318061546 1385620845 /nfs/dbraw/zinc/62/08/45/1385620845.db2.gz XMDQSXZEYARXIH-RBUKOAKNSA-N 2 1 331.504 3.059 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001176563138 1385625531 /nfs/dbraw/zinc/62/55/31/1385625531.db2.gz BCTBPOLDHQMLFD-QUCCMNQESA-N 2 1 345.531 3.020 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)c1ccccc1 ZINC001176591748 1385634893 /nfs/dbraw/zinc/63/48/93/1385634893.db2.gz OITUHGFOOJXEGZ-IRXDYDNUSA-N 2 1 342.487 3.217 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001176598753 1385637494 /nfs/dbraw/zinc/63/74/94/1385637494.db2.gz CLBPQJWPEIYAES-MRXNPFEDSA-N 2 1 334.508 3.036 20 0 EGADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001318410586 1385678424 /nfs/dbraw/zinc/67/84/24/1385678424.db2.gz UIFNXFMVKKTIAW-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CCc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176754207 1385683812 /nfs/dbraw/zinc/68/38/12/1385683812.db2.gz SZVJXLSTNJUXIS-SFHVURJKSA-N 2 1 347.547 3.354 20 0 EGADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001176759905 1385686964 /nfs/dbraw/zinc/68/69/64/1385686964.db2.gz OATFQSOTZOQACD-PKOBYXMFSA-N 2 1 333.520 3.210 20 0 EGADMP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001318483640 1385715205 /nfs/dbraw/zinc/71/52/05/1385715205.db2.gz GHJLCPWKNFHZML-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCN(C(=O)CC[N@H+](C)CC)[C@H]1CC[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001318483640 1385715209 /nfs/dbraw/zinc/71/52/09/1385715209.db2.gz GHJLCPWKNFHZML-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCN(C(=O)CC[N@@H+](C)CC)[C@H]1CC[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001318483640 1385715212 /nfs/dbraw/zinc/71/52/12/1385715212.db2.gz GHJLCPWKNFHZML-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001318487945 1385720679 /nfs/dbraw/zinc/72/06/79/1385720679.db2.gz YEYVFGPATITGHD-HSALFYBXSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001318487945 1385720683 /nfs/dbraw/zinc/72/06/83/1385720683.db2.gz YEYVFGPATITGHD-HSALFYBXSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001318487945 1385720688 /nfs/dbraw/zinc/72/06/88/1385720688.db2.gz YEYVFGPATITGHD-HSALFYBXSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001176844193 1385722716 /nfs/dbraw/zinc/72/27/16/1385722716.db2.gz GDKPYIIPBXLIRU-HDICACEKSA-N 2 1 345.531 3.279 20 0 EGADMP CCCc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC001176986516 1385764047 /nfs/dbraw/zinc/76/40/47/1385764047.db2.gz QFGYOTNZDZADRP-FQEVSTJZSA-N 2 1 345.531 3.109 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1C ZINC001176986841 1385764929 /nfs/dbraw/zinc/76/49/29/1385764929.db2.gz WYXLYBJRBFXKCA-MJGOQNOKSA-N 2 1 331.504 3.026 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CCCC1CCCC1)c1ccccc1 ZINC001177016214 1385772777 /nfs/dbraw/zinc/77/27/77/1385772777.db2.gz FWGCXFPFVHWJPW-HXUWFJFHSA-N 2 1 345.531 3.356 20 0 EGADMP C[N@@H+](CC(=O)NC1(C[NH2+]CC2CCCCC2)CCCC1)C1CCC1 ZINC001318636169 1385808544 /nfs/dbraw/zinc/80/85/44/1385808544.db2.gz FACAGNITFJGZMI-UHFFFAOYSA-N 2 1 335.536 3.070 20 0 EGADMP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001177466944 1385967542 /nfs/dbraw/zinc/96/75/42/1385967542.db2.gz LYJXIPDMWQBFIV-HXUWFJFHSA-N 2 1 349.563 3.293 20 0 EGADMP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)CC1 ZINC001177629351 1386011635 /nfs/dbraw/zinc/01/16/35/1386011635.db2.gz OWQXYQPBMZKDQE-SCTDSRPQSA-N 2 1 347.503 3.013 20 0 EGADMP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)CC1 ZINC001177629351 1386011636 /nfs/dbraw/zinc/01/16/36/1386011636.db2.gz OWQXYQPBMZKDQE-SCTDSRPQSA-N 2 1 347.503 3.013 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001178045920 1386115755 /nfs/dbraw/zinc/11/57/55/1386115755.db2.gz ZJAJCFRAHKJJBB-QUCCMNQESA-N 2 1 345.531 3.416 20 0 EGADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cc(F)ccc1F ZINC001178291038 1386181152 /nfs/dbraw/zinc/18/11/52/1386181152.db2.gz QXEFSMXORYHKOA-IBGZPJMESA-N 2 1 346.421 3.211 20 0 EGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc(F)ccc1F ZINC001178291038 1386181154 /nfs/dbraw/zinc/18/11/54/1386181154.db2.gz QXEFSMXORYHKOA-IBGZPJMESA-N 2 1 346.421 3.211 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001178471638 1386227464 /nfs/dbraw/zinc/22/74/64/1386227464.db2.gz GTVLQIGDNJFNOL-GOSISDBHSA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001178693240 1386279569 /nfs/dbraw/zinc/27/95/69/1386279569.db2.gz MKDRPHUWKJZJNS-IBGZPJMESA-N 2 1 337.552 3.316 20 0 EGADMP CCC/C=C/CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001178701964 1386283506 /nfs/dbraw/zinc/28/35/06/1386283506.db2.gz HBTTVWFFOUDGGG-AATRIKPKSA-N 2 1 337.552 3.483 20 0 EGADMP C[N@@H+](CC(=O)NCCCCCC[NH2+]CC1CCCCC1)C1CCC1 ZINC001178705106 1386284338 /nfs/dbraw/zinc/28/43/38/1386284338.db2.gz DWDQDXUBKBWTHA-UHFFFAOYSA-N 2 1 337.552 3.317 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001319810706 1386308969 /nfs/dbraw/zinc/30/89/69/1386308969.db2.gz SCMBVXPEBNVDES-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)[nH]n1 ZINC001319813920 1386311705 /nfs/dbraw/zinc/31/17/05/1386311705.db2.gz MFDNSSOBVFMSFH-HOTGVXAUSA-N 2 1 326.488 3.486 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001178810418 1386314060 /nfs/dbraw/zinc/31/40/60/1386314060.db2.gz FROGRAGJUPTKLF-OALUTQOASA-N 2 1 337.552 3.316 20 0 EGADMP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178890020 1386339656 /nfs/dbraw/zinc/33/96/56/1386339656.db2.gz FOWVUAMZQHJLJI-NEPBSLMDSA-N 2 1 335.536 3.185 20 0 EGADMP C[N@@H+](CCC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)CC1=CCCCC1 ZINC001319875635 1386352034 /nfs/dbraw/zinc/35/20/34/1386352034.db2.gz XEGBCHSMHQWMME-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)CC1=CCCCC1 ZINC001319875635 1386352040 /nfs/dbraw/zinc/35/20/40/1386352040.db2.gz XEGBCHSMHQWMME-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)CC1=CCCCC1 ZINC001319875635 1386352044 /nfs/dbraw/zinc/35/20/44/1386352044.db2.gz XEGBCHSMHQWMME-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@@H+](C)CCC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001319880905 1386356519 /nfs/dbraw/zinc/35/65/19/1386356519.db2.gz NQKKOCYDWFEGJV-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+](C)CCC2CC2)CC1 ZINC001319880156 1386357101 /nfs/dbraw/zinc/35/71/01/1386357101.db2.gz IDYDECSPRGINQR-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC(CC[N@H+](C)CCC2CC2)CC1 ZINC001319880156 1386357104 /nfs/dbraw/zinc/35/71/04/1386357104.db2.gz IDYDECSPRGINQR-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC(CC[N@@H+](C)CCC2CC2)CC1 ZINC001319880156 1386357107 /nfs/dbraw/zinc/35/71/07/1386357107.db2.gz IDYDECSPRGINQR-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ccc(C[NH2+][C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C(C)C)c(C)c1 ZINC001319915316 1386387991 /nfs/dbraw/zinc/38/79/91/1386387991.db2.gz ABFGYYDOQCZREW-FQEVSTJZSA-N 2 1 345.531 3.018 20 0 EGADMP CC1CC(C[NH2+]CCCCCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001179383192 1386468291 /nfs/dbraw/zinc/46/82/91/1386468291.db2.gz PSRSQIJFUGLMOH-JEVOJNTISA-N 2 1 337.552 3.029 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CC(CC)CC)[C@@H]2C)C1 ZINC001179388974 1386472372 /nfs/dbraw/zinc/47/23/72/1386472372.db2.gz VYDBSDJELLWTRH-UHOSZYNNSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCCCCCC[NH2+]CCC(C)C)CC2 ZINC001179395403 1386474158 /nfs/dbraw/zinc/47/41/58/1386474158.db2.gz NAADGAMUIKCFKZ-GOSISDBHSA-N 2 1 348.535 3.066 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)CC[N@H+](C)CCCC(C)(C)C ZINC001320055870 1386479275 /nfs/dbraw/zinc/47/92/75/1386479275.db2.gz UGGISBMFVGRTPP-UHFFFAOYSA-N 2 1 336.524 3.223 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)CC[N@@H+](C)CCCC(C)(C)C ZINC001320055870 1386479279 /nfs/dbraw/zinc/47/92/79/1386479279.db2.gz UGGISBMFVGRTPP-UHFFFAOYSA-N 2 1 336.524 3.223 20 0 EGADMP Cc1ccccc1C[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001179587145 1386524268 /nfs/dbraw/zinc/52/42/68/1386524268.db2.gz WKRNAXNFOQIBNS-SFHVURJKSA-N 2 1 345.531 3.103 20 0 EGADMP CC(C)CCC[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001179585494 1386524517 /nfs/dbraw/zinc/52/45/17/1386524517.db2.gz JEFVUJCFCZRHAS-GOSISDBHSA-N 2 1 325.541 3.031 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001320169276 1386545843 /nfs/dbraw/zinc/54/58/43/1386545843.db2.gz CNHCBICJOQFVQI-RTBURBONSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001180024408 1386672797 /nfs/dbraw/zinc/67/27/97/1386672797.db2.gz PVHYZWKFSXXMMZ-CUWPLCDZSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCCCCCC[NH2+]CCC(C)(C)C)C1 ZINC001180061185 1386683801 /nfs/dbraw/zinc/68/38/01/1386683801.db2.gz ZOQCNSRNEUBDHS-QGZVFWFLSA-N 2 1 325.541 3.031 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]C/C=C\c1ccccc1 ZINC001180121754 1386704124 /nfs/dbraw/zinc/70/41/24/1386704124.db2.gz UXDWUZSMPDIDCS-KAMYIIQDSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001180123235 1386704180 /nfs/dbraw/zinc/70/41/80/1386704180.db2.gz CALXLAKAYCYPMV-CEXWTWQISA-N 2 1 337.552 3.031 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001180123260 1386704271 /nfs/dbraw/zinc/70/42/71/1386704271.db2.gz DDBIJENLSSYLCO-UHFFFAOYSA-N 2 1 337.552 3.485 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCCCCCNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001180260139 1386749232 /nfs/dbraw/zinc/74/92/32/1386749232.db2.gz UQHISNDIWSVRPN-LJQANCHMSA-N 2 1 345.531 3.021 20 0 EGADMP CC(C)C[NH2+]CCCCCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001180375543 1386778862 /nfs/dbraw/zinc/77/88/62/1386778862.db2.gz IETJUWRJTKRDRW-IBGZPJMESA-N 2 1 333.520 3.212 20 0 EGADMP CC[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC001321188271 1386835363 /nfs/dbraw/zinc/83/53/63/1386835363.db2.gz GXQORXOBGBYYBK-WYIDIVSCSA-N 2 1 349.906 3.147 20 0 EGADMP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001181140990 1386944524 /nfs/dbraw/zinc/94/45/24/1386944524.db2.gz CFDQWQUBPFAWLN-BGYRXZFFSA-N 2 1 345.531 3.278 20 0 EGADMP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001181904740 1387074283 /nfs/dbraw/zinc/07/42/83/1387074283.db2.gz VDRJXIINGPKCMP-WSTZPKSXSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001181959040 1387082602 /nfs/dbraw/zinc/08/26/02/1387082602.db2.gz LHVFTYMHBPYTDL-OXQOHEQNSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001322229281 1387110788 /nfs/dbraw/zinc/11/07/88/1387110788.db2.gz AAHNOYNUSHPVID-MAUKXSAKSA-N 2 1 349.494 3.055 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)c(C)c1OC ZINC001322447689 1387188474 /nfs/dbraw/zinc/18/84/74/1387188474.db2.gz ZPKFRHDTYKREKO-WBAXXEDZSA-N 2 1 334.504 3.406 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001182692057 1387208020 /nfs/dbraw/zinc/20/80/20/1387208020.db2.gz AJYBDAPOTCHZCO-FUHWJXTLSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001182807329 1387228134 /nfs/dbraw/zinc/22/81/34/1387228134.db2.gz QUCAVSLNZDRKTA-SFHLNBCPSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001182896643 1387241447 /nfs/dbraw/zinc/24/14/47/1387241447.db2.gz BHJBBWHRKOBSNA-YLJYHZDGSA-N 2 1 346.519 3.012 20 0 EGADMP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)CC1CCCCCC1 ZINC001329624101 1389189721 /nfs/dbraw/zinc/18/97/21/1389189721.db2.gz OFYAQVWYVMBQJS-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP Cc1nc(N2CCCCC2)sc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001329819322 1389231035 /nfs/dbraw/zinc/23/10/35/1389231035.db2.gz ZVPWQGICQRQJTG-SJPCQFCGSA-N 2 1 348.560 3.499 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001329819322 1389231036 /nfs/dbraw/zinc/23/10/36/1389231036.db2.gz ZVPWQGICQRQJTG-SJPCQFCGSA-N 2 1 348.560 3.499 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001329819322 1389231038 /nfs/dbraw/zinc/23/10/38/1389231038.db2.gz ZVPWQGICQRQJTG-SJPCQFCGSA-N 2 1 348.560 3.499 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001329819322 1389231039 /nfs/dbraw/zinc/23/10/39/1389231039.db2.gz ZVPWQGICQRQJTG-SJPCQFCGSA-N 2 1 348.560 3.499 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001329819322 1389231044 /nfs/dbraw/zinc/23/10/44/1389231044.db2.gz ZVPWQGICQRQJTG-SJPCQFCGSA-N 2 1 348.560 3.499 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC2(C1)CCC[N@@H+](C(C)C)C2)c1ccccc1 ZINC001330512393 1389437865 /nfs/dbraw/zinc/43/78/65/1389437865.db2.gz SZUPWZHFQCVMBI-IBGZPJMESA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC2(C1)CCC[N@H+](C(C)C)C2)c1ccccc1 ZINC001330512393 1389437866 /nfs/dbraw/zinc/43/78/66/1389437866.db2.gz SZUPWZHFQCVMBI-IBGZPJMESA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001331031525 1389604007 /nfs/dbraw/zinc/60/40/07/1389604007.db2.gz WNOUIPUVCLHQRI-MJGOQNOKSA-N 2 1 339.568 3.178 20 0 EGADMP c1ccc(CSCC[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001338310643 1389630446 /nfs/dbraw/zinc/63/04/46/1389630446.db2.gz RPPHUSAJDRONPM-UHFFFAOYSA-N 2 1 334.529 3.153 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1CCC1CCCC1 ZINC001332184738 1390028196 /nfs/dbraw/zinc/02/81/96/1390028196.db2.gz KQNMOPUTMNINNK-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NCCNc2ccc(C)c[nH+]2)cc1 ZINC001333513854 1390324487 /nfs/dbraw/zinc/32/44/87/1390324487.db2.gz PKXLWEFSJGSMDD-UHFFFAOYSA-N 2 1 340.471 3.074 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)ccc1OC ZINC001333841890 1390420430 /nfs/dbraw/zinc/42/04/30/1390420430.db2.gz OZADHKHMQDOYOC-RCCFBDPRSA-N 2 1 332.488 3.256 20 0 EGADMP C[C@H](C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C)NC(=O)OC(C)(C)C ZINC001341585248 1390506196 /nfs/dbraw/zinc/50/61/96/1390506196.db2.gz BZEHXTDIIUJBMA-ZJIFWQFVSA-N 2 1 327.513 3.141 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)C1CCSCC1 ZINC001343090446 1390690722 /nfs/dbraw/zinc/69/07/22/1390690722.db2.gz UONWGXBTHAAWBH-KRWDZBQOSA-N 2 1 347.572 3.055 20 0 EGADMP O=C(O[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C[NH+]2CCCCC2)o1 ZINC001343532585 1390720829 /nfs/dbraw/zinc/72/08/29/1390720829.db2.gz IZKPTIIAQLYXSC-HZPDHXFCSA-N 2 1 332.444 3.049 20 0 EGADMP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001351798904 1391692200 /nfs/dbraw/zinc/69/22/00/1391692200.db2.gz FATZOWIFNDIWFF-SFHVURJKSA-N 2 1 329.488 3.178 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001488741152 1391712926 /nfs/dbraw/zinc/71/29/26/1391712926.db2.gz NMICQTXMTXSUQU-HDICACEKSA-N 2 1 349.563 3.172 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001698845890 1406546527 /nfs/dbraw/zinc/54/65/27/1406546527.db2.gz QNMSBJVXESOIRD-QZTJIDSGSA-N 2 1 347.547 3.470 20 0 EGADMP C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnnn1C ZINC001354257342 1392133671 /nfs/dbraw/zinc/13/36/71/1392133671.db2.gz PKVYOVPMIBREIN-UXDRXVOSSA-N 2 1 339.487 3.051 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cnnn1C ZINC001354257342 1392133674 /nfs/dbraw/zinc/13/36/74/1392133674.db2.gz PKVYOVPMIBREIN-UXDRXVOSSA-N 2 1 339.487 3.051 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnnn1C ZINC001354257342 1392133675 /nfs/dbraw/zinc/13/36/75/1392133675.db2.gz PKVYOVPMIBREIN-UXDRXVOSSA-N 2 1 339.487 3.051 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N(C)C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC001479894643 1392463585 /nfs/dbraw/zinc/46/35/85/1392463585.db2.gz YMQLNLKXBFXRFI-HXUWFJFHSA-N 2 1 343.515 3.012 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CC12CC[NH+](CCC1CCCC1)CC2)C1CCC1 ZINC001479980183 1392514086 /nfs/dbraw/zinc/51/40/86/1392514086.db2.gz FEMLESLQRWIFKD-IBGZPJMESA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001480264249 1392648488 /nfs/dbraw/zinc/64/84/88/1392648488.db2.gz BWKKYQHDOMDRRF-ICSRJNTNSA-N 2 1 345.531 3.308 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001480264249 1392648489 /nfs/dbraw/zinc/64/84/89/1392648489.db2.gz BWKKYQHDOMDRRF-ICSRJNTNSA-N 2 1 345.531 3.308 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001480264249 1392648490 /nfs/dbraw/zinc/64/84/90/1392648490.db2.gz BWKKYQHDOMDRRF-ICSRJNTNSA-N 2 1 345.531 3.308 20 0 EGADMP CCc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)[C@H](CC)[NH+](C)C)cc1 ZINC001480333336 1392692670 /nfs/dbraw/zinc/69/26/70/1392692670.db2.gz RGWWJUKNVWWSEQ-UXHICEINSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)[C@H]1CCC[NH+](CC2CC2)C1 ZINC001480382661 1392725959 /nfs/dbraw/zinc/72/59/59/1392725959.db2.gz MIAPHVWKTGRRRQ-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001480382661 1392725963 /nfs/dbraw/zinc/72/59/63/1392725963.db2.gz MIAPHVWKTGRRRQ-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001480382661 1392725967 /nfs/dbraw/zinc/72/59/67/1392725967.db2.gz MIAPHVWKTGRRRQ-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1cc2ccccc2o1 ZINC001480536955 1392783673 /nfs/dbraw/zinc/78/36/73/1392783673.db2.gz KZMHQBCEXNHFFV-HNNXBMFYSA-N 2 1 345.487 3.005 20 0 EGADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1cc2ccccc2o1 ZINC001480536957 1392783823 /nfs/dbraw/zinc/78/38/23/1392783823.db2.gz KZMHQBCEXNHFFV-OAHLLOKOSA-N 2 1 345.487 3.005 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001480575686 1392798578 /nfs/dbraw/zinc/79/85/78/1392798578.db2.gz UHNPCDSFVVKQTK-BEFAXECRSA-N 2 1 349.494 3.029 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001480615950 1392821261 /nfs/dbraw/zinc/82/12/61/1392821261.db2.gz QIWMXNHVVJEXCC-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP CC1CC[NH+](CC(=O)NCC[N@@H+](C)CCC2CCCCCC2)CC1 ZINC001480927295 1393025119 /nfs/dbraw/zinc/02/51/19/1393025119.db2.gz HTBUVIVZGPWTFW-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CC[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)Cc1ccc(C)c(C)c1 ZINC001481018746 1393094908 /nfs/dbraw/zinc/09/49/08/1393094908.db2.gz GUTHKIRYDAIWQK-UHFFFAOYSA-N 2 1 345.531 3.118 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001481121270 1393125458 /nfs/dbraw/zinc/12/54/58/1393125458.db2.gz WTUDEGZWMWVTBO-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC001481121270 1393125460 /nfs/dbraw/zinc/12/54/60/1393125460.db2.gz WTUDEGZWMWVTBO-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC001481121270 1393125467 /nfs/dbraw/zinc/12/54/67/1393125467.db2.gz WTUDEGZWMWVTBO-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CC(C)C ZINC001481144279 1393132372 /nfs/dbraw/zinc/13/23/72/1393132372.db2.gz FFCQBTXZVFXZLW-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)CC(C)C ZINC001481144279 1393132373 /nfs/dbraw/zinc/13/23/73/1393132373.db2.gz FFCQBTXZVFXZLW-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)CC(C)C ZINC001481144279 1393132374 /nfs/dbraw/zinc/13/23/74/1393132374.db2.gz FFCQBTXZVFXZLW-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC)c1ccc(F)cc1 ZINC001481319729 1393163205 /nfs/dbraw/zinc/16/32/05/1393163205.db2.gz LXMZJISJUAWDFQ-MOPGFXCFSA-N 2 1 349.494 3.199 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001490579219 1394272625 /nfs/dbraw/zinc/27/26/25/1394272625.db2.gz KIXKZEPUPFHZKA-FQEVSTJZSA-N 2 1 349.563 3.413 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001481444197 1394296705 /nfs/dbraw/zinc/29/67/05/1394296705.db2.gz KJRKQPGAGQAHIW-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC(C[N@@H+](C)CCC2CCCC2)CC1 ZINC001481517433 1394366551 /nfs/dbraw/zinc/36/65/51/1394366551.db2.gz JWKXAAYGNLOSFV-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001484769006 1395525807 /nfs/dbraw/zinc/52/58/07/1395525807.db2.gz KNQGHLBFUJGZQI-IBGZPJMESA-N 2 1 345.531 3.404 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001484983681 1395625016 /nfs/dbraw/zinc/62/50/16/1395625016.db2.gz XBSXMQOEBNJBAL-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001484983681 1395625019 /nfs/dbraw/zinc/62/50/19/1395625019.db2.gz XBSXMQOEBNJBAL-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001484983681 1395625026 /nfs/dbraw/zinc/62/50/26/1395625026.db2.gz XBSXMQOEBNJBAL-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2C)[C@H](C)C1 ZINC001484985248 1395628607 /nfs/dbraw/zinc/62/86/07/1395628607.db2.gz DOCCKPDCDUBGAL-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C)[C@H](C)C1 ZINC001484985248 1395628610 /nfs/dbraw/zinc/62/86/10/1395628610.db2.gz DOCCKPDCDUBGAL-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C)[C@H](C)C1 ZINC001484985248 1395628623 /nfs/dbraw/zinc/62/86/23/1395628623.db2.gz DOCCKPDCDUBGAL-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC(CC)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001687428800 1396370118 /nfs/dbraw/zinc/37/01/18/1396370118.db2.gz RASAXOXYQMSFEB-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC001495750670 1396555820 /nfs/dbraw/zinc/55/58/20/1396555820.db2.gz LNYYYTOFFHFUID-IRXDYDNUSA-N 2 1 342.487 3.110 20 0 EGADMP C[C@H](C[N@@H+](C)CCC1CCCCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001498368708 1396977221 /nfs/dbraw/zinc/97/72/21/1396977221.db2.gz WIPVANWYESDXNE-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)C1)CC(C)(C)C ZINC001690046783 1404280818 /nfs/dbraw/zinc/28/08/18/1404280818.db2.gz PEKGWBBFDURYNB-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)C1)CC(C)(C)C ZINC001690046783 1404280819 /nfs/dbraw/zinc/28/08/19/1404280819.db2.gz PEKGWBBFDURYNB-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1)CC(C)(C)C ZINC001690046783 1404280822 /nfs/dbraw/zinc/28/08/22/1404280822.db2.gz PEKGWBBFDURYNB-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001690501380 1404614213 /nfs/dbraw/zinc/61/42/13/1404614213.db2.gz KKNCJUIADVLAAZ-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH2+][C@H](C)c1ccccc1 ZINC001690606395 1404649747 /nfs/dbraw/zinc/64/97/47/1404649747.db2.gz MEKORFVQUDNLPC-QZTJIDSGSA-N 2 1 345.531 3.497 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001690824389 1404760989 /nfs/dbraw/zinc/76/09/89/1404760989.db2.gz CJKUKVYDEYIVQP-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001690824389 1404760991 /nfs/dbraw/zinc/76/09/91/1404760991.db2.gz CJKUKVYDEYIVQP-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001690824389 1404760992 /nfs/dbraw/zinc/76/09/92/1404760992.db2.gz CJKUKVYDEYIVQP-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP C[NH+](CCNC(=O)C[N@H+](C)C1CCC1)Cc1ccc(C(C)(C)C)cc1 ZINC001690947845 1404857988 /nfs/dbraw/zinc/85/79/88/1404857988.db2.gz YEVSVFKWKVMEBZ-UHFFFAOYSA-N 2 1 345.531 3.016 20 0 EGADMP C[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)Cc1ccc(C(C)(C)C)cc1 ZINC001690947845 1404857993 /nfs/dbraw/zinc/85/79/93/1404857993.db2.gz YEVSVFKWKVMEBZ-UHFFFAOYSA-N 2 1 345.531 3.016 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001691065803 1404992092 /nfs/dbraw/zinc/99/20/92/1404992092.db2.gz GLIKJBLNLZSVMI-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H]1CN(C)C(=O)CC[N@H+](C)CC ZINC001691065803 1404992093 /nfs/dbraw/zinc/99/20/93/1404992093.db2.gz GLIKJBLNLZSVMI-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H]1CN(C)C(=O)CC[N@@H+](C)CC ZINC001691065803 1404992096 /nfs/dbraw/zinc/99/20/96/1404992096.db2.gz GLIKJBLNLZSVMI-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001691990141 1405703287 /nfs/dbraw/zinc/70/32/87/1405703287.db2.gz VVFSNKIWEWIBMM-IAGOWNOFSA-N 2 1 349.494 3.009 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001691990141 1405703293 /nfs/dbraw/zinc/70/32/93/1405703293.db2.gz VVFSNKIWEWIBMM-IAGOWNOFSA-N 2 1 349.494 3.009 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001691990141 1405703295 /nfs/dbraw/zinc/70/32/95/1405703295.db2.gz VVFSNKIWEWIBMM-IAGOWNOFSA-N 2 1 349.494 3.009 20 0 EGADMP CC[C@H](C(=O)NC1C[NH+]([C@H](C)c2cccc3ccccc32)C1)[NH+](C)C ZINC001692206894 1405844475 /nfs/dbraw/zinc/84/44/75/1405844475.db2.gz LPMDINIMLLXYJR-FOIQADDNSA-N 2 1 339.483 3.041 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001698571416 1406176315 /nfs/dbraw/zinc/17/63/15/1406176315.db2.gz RCVOZQUKDSTWEA-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001698571416 1406176318 /nfs/dbraw/zinc/17/63/18/1406176318.db2.gz RCVOZQUKDSTWEA-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)c1ccccc1C ZINC001732032529 1428249693 /nfs/dbraw/zinc/24/96/93/1428249693.db2.gz XXXDAFNZWXCOHT-QRVBRYPASA-N 2 1 343.515 3.073 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1ccccc1C ZINC001732032529 1428249695 /nfs/dbraw/zinc/24/96/95/1428249695.db2.gz XXXDAFNZWXCOHT-QRVBRYPASA-N 2 1 343.515 3.073 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1ccccc1C ZINC001732032529 1428249697 /nfs/dbraw/zinc/24/96/97/1428249697.db2.gz XXXDAFNZWXCOHT-QRVBRYPASA-N 2 1 343.515 3.073 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001732058366 1428303857 /nfs/dbraw/zinc/30/38/57/1428303857.db2.gz FJKLDSMNIXYFEF-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001732058366 1428303860 /nfs/dbraw/zinc/30/38/60/1428303860.db2.gz FJKLDSMNIXYFEF-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC001732058366 1428303862 /nfs/dbraw/zinc/30/38/62/1428303862.db2.gz FJKLDSMNIXYFEF-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C[NH2+][C@@H](C)c1ccccc1 ZINC001732362520 1428548811 /nfs/dbraw/zinc/54/88/11/1428548811.db2.gz XHSVETMGLACSHA-IRXDYDNUSA-N 2 1 333.520 3.067 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001699425439 1412740457 /nfs/dbraw/zinc/74/04/57/1412740457.db2.gz LDBJLKVWXHAISA-DLBZAZTESA-N 2 1 347.547 3.481 20 0 EGADMP C[C@H](C[N@@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001699474549 1412865722 /nfs/dbraw/zinc/86/57/22/1412865722.db2.gz QGBFXXOAKGAQBI-SJORKVTESA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCCCC2)CC1 ZINC001699651614 1413034161 /nfs/dbraw/zinc/03/41/61/1413034161.db2.gz SXFYJJBNCVKXDU-LJQANCHMSA-N 2 1 349.563 3.458 20 0 EGADMP C[N@@H+](CCC(=O)NCC1([NH2+]CC2CCCCC2)CC1)C1CCCCC1 ZINC001699661429 1413045270 /nfs/dbraw/zinc/04/52/70/1413045270.db2.gz RJOYULLVIGPPHU-UHFFFAOYSA-N 2 1 349.563 3.460 20 0 EGADMP CCCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001699687543 1413088177 /nfs/dbraw/zinc/08/81/77/1413088177.db2.gz DQHHDFOXHPHIFA-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001699687543 1413088179 /nfs/dbraw/zinc/08/81/79/1413088179.db2.gz DQHHDFOXHPHIFA-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001699687543 1413088183 /nfs/dbraw/zinc/08/81/83/1413088183.db2.gz DQHHDFOXHPHIFA-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001699828166 1413256405 /nfs/dbraw/zinc/25/64/05/1413256405.db2.gz YWJZBKWGILNAEI-JXFKEZNVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001699828166 1413256408 /nfs/dbraw/zinc/25/64/08/1413256408.db2.gz YWJZBKWGILNAEI-JXFKEZNVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001699828166 1413256412 /nfs/dbraw/zinc/25/64/12/1413256412.db2.gz YWJZBKWGILNAEI-JXFKEZNVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1(C)CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001699864344 1413300509 /nfs/dbraw/zinc/30/05/09/1413300509.db2.gz RSJRJEIVGAWHNF-UHFFFAOYSA-N 2 1 345.531 3.055 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@]1(C)CCC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001699877380 1413337927 /nfs/dbraw/zinc/33/79/27/1413337927.db2.gz WRKFJUWRYOOYBA-RXVVDRJESA-N 2 1 345.531 3.308 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001699877380 1413337933 /nfs/dbraw/zinc/33/79/33/1413337933.db2.gz WRKFJUWRYOOYBA-RXVVDRJESA-N 2 1 345.531 3.308 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001699877380 1413337936 /nfs/dbraw/zinc/33/79/36/1413337936.db2.gz WRKFJUWRYOOYBA-RXVVDRJESA-N 2 1 345.531 3.308 20 0 EGADMP CCC(CC)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001700097201 1413513667 /nfs/dbraw/zinc/51/36/67/1413513667.db2.gz COXXVKIJRBQQKW-NXWXRZEISA-N 2 1 337.552 3.027 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001700183793 1413600743 /nfs/dbraw/zinc/60/07/43/1413600743.db2.gz HCLHCDUZQKHRFS-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CCCC1CCC1 ZINC001700314440 1413770072 /nfs/dbraw/zinc/77/00/72/1413770072.db2.gz SZTLFWFXHBZMTN-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CCCC1CCC1 ZINC001700314440 1413770079 /nfs/dbraw/zinc/77/00/79/1413770079.db2.gz SZTLFWFXHBZMTN-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CCCC1CCC1 ZINC001700314440 1413770085 /nfs/dbraw/zinc/77/00/85/1413770085.db2.gz SZTLFWFXHBZMTN-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2c(C)cccc2C)[C@H](C)C1 ZINC001700320785 1413786444 /nfs/dbraw/zinc/78/64/44/1413786444.db2.gz ROSYKNBPVWMQKG-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2c(C)cccc2C)[C@H](C)C1 ZINC001700320785 1413786449 /nfs/dbraw/zinc/78/64/49/1413786449.db2.gz ROSYKNBPVWMQKG-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2c(C)cccc2C)[C@H](C)C1 ZINC001700320785 1413786451 /nfs/dbraw/zinc/78/64/51/1413786451.db2.gz ROSYKNBPVWMQKG-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccc(C)c(C)c1 ZINC001700364227 1413883911 /nfs/dbraw/zinc/88/39/11/1413883911.db2.gz PLDHUAQPJYUUJE-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C)c(C)c1 ZINC001700364227 1413883912 /nfs/dbraw/zinc/88/39/12/1413883912.db2.gz PLDHUAQPJYUUJE-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC001700364227 1413883913 /nfs/dbraw/zinc/88/39/13/1413883913.db2.gz PLDHUAQPJYUUJE-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CCCCC[NH+]1C/C=C/Cl)CC(C)(C)C ZINC001700524894 1414184855 /nfs/dbraw/zinc/18/48/55/1414184855.db2.gz AOHUBIIIAPNNFB-XAVKZTDYSA-N 2 1 343.943 3.078 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCCC[N@@H+]1C/C=C/Cl)CC(C)(C)C ZINC001700524894 1414184858 /nfs/dbraw/zinc/18/48/58/1414184858.db2.gz AOHUBIIIAPNNFB-XAVKZTDYSA-N 2 1 343.943 3.078 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCCC[N@H+]1C/C=C/Cl)CC(C)(C)C ZINC001700524894 1414184860 /nfs/dbraw/zinc/18/48/60/1414184860.db2.gz AOHUBIIIAPNNFB-XAVKZTDYSA-N 2 1 343.943 3.078 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001700527731 1414191972 /nfs/dbraw/zinc/19/19/72/1414191972.db2.gz ZEGIBUFROXVNGV-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)CCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001732593045 1428819445 /nfs/dbraw/zinc/81/94/45/1428819445.db2.gz SMZWAKHDNOSUAY-UHFFFAOYSA-N 2 1 347.547 3.172 20 0 EGADMP Cc1cccc(C)c1C[NH+](C)CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001732593045 1428819453 /nfs/dbraw/zinc/81/94/53/1428819453.db2.gz SMZWAKHDNOSUAY-UHFFFAOYSA-N 2 1 347.547 3.172 20 0 EGADMP Cc1cccc(C)c1C[NH+](C)CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001732593045 1428819458 /nfs/dbraw/zinc/81/94/58/1428819458.db2.gz SMZWAKHDNOSUAY-UHFFFAOYSA-N 2 1 347.547 3.172 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001732703816 1428917237 /nfs/dbraw/zinc/91/72/37/1428917237.db2.gz YVHMBWDBZSFYLS-IRXDYDNUSA-N 2 1 331.504 3.025 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1ccccc1C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001732774463 1428962080 /nfs/dbraw/zinc/96/20/80/1428962080.db2.gz DSZBRRUDFPUBFQ-ICSRJNTNSA-N 2 1 345.531 3.367 20 0 EGADMP C[C@@H](C[N@@H+](C)CCC1CCCCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001733046512 1429179240 /nfs/dbraw/zinc/17/92/40/1429179240.db2.gz YQBVRFIFWXCJOL-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](C)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)(C)C ZINC001713179854 1417753459 /nfs/dbraw/zinc/75/34/59/1417753459.db2.gz SDIPSPMPUCCXJS-AYHJJNSGSA-N 2 1 337.552 3.266 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001713236356 1417822755 /nfs/dbraw/zinc/82/27/55/1417822755.db2.gz CXEWDBLJXSOEOV-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCC1)C1CCC1 ZINC001713252509 1417844981 /nfs/dbraw/zinc/84/49/81/1417844981.db2.gz ARPQVDNHSYSQHA-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC1CCC1)C1CCC1 ZINC001713252509 1417844984 /nfs/dbraw/zinc/84/49/84/1417844984.db2.gz ARPQVDNHSYSQHA-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCC[N@H+]1CCCC1CCC1)C1CCC1 ZINC001713252509 1417844987 /nfs/dbraw/zinc/84/49/87/1417844987.db2.gz ARPQVDNHSYSQHA-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP Cc1cccc([C@@H](C)[NH+](C)CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001713459835 1418114624 /nfs/dbraw/zinc/11/46/24/1418114624.db2.gz OPWIOVDKXSRFRA-QUCCMNQESA-N 2 1 345.531 3.224 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)c1 ZINC001713459835 1418114627 /nfs/dbraw/zinc/11/46/27/1418114627.db2.gz OPWIOVDKXSRFRA-QUCCMNQESA-N 2 1 345.531 3.224 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)c1 ZINC001713459835 1418114629 /nfs/dbraw/zinc/11/46/29/1418114629.db2.gz OPWIOVDKXSRFRA-QUCCMNQESA-N 2 1 345.531 3.224 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)[C@@H](C)c1cccc(C)c1 ZINC001713497705 1418210504 /nfs/dbraw/zinc/21/05/04/1418210504.db2.gz WIXGILQWMQDKBE-ICSRJNTNSA-N 2 1 345.531 3.369 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)[C@@H](C)c1cccc(C)c1 ZINC001713497705 1418210512 /nfs/dbraw/zinc/21/05/12/1418210512.db2.gz WIXGILQWMQDKBE-ICSRJNTNSA-N 2 1 345.531 3.369 20 0 EGADMP CC(C)(C)CCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001713822926 1418624095 /nfs/dbraw/zinc/62/40/95/1418624095.db2.gz NNWQTVMOBOYOEF-QGZVFWFLSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001713822926 1418624096 /nfs/dbraw/zinc/62/40/96/1418624096.db2.gz NNWQTVMOBOYOEF-QGZVFWFLSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C)cc1 ZINC001714139510 1418941930 /nfs/dbraw/zinc/94/19/30/1418941930.db2.gz FQVXZLPHMJQHJM-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@H](CC)c1ccccc1 ZINC001714140115 1418942577 /nfs/dbraw/zinc/94/25/77/1418942577.db2.gz XFANZKJSOWAZST-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCn1ccnc1 ZINC001714145708 1418950067 /nfs/dbraw/zinc/95/00/67/1418950067.db2.gz RFMOSTVUPUEBJZ-MOPGFXCFSA-N 2 1 346.519 3.309 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001714152062 1418959218 /nfs/dbraw/zinc/95/92/18/1418959218.db2.gz XHPXFSOZFHCZAF-MSOLQXFVSA-N 2 1 343.515 3.026 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2c(C)cccc2C)CCCC1 ZINC001714510364 1419238176 /nfs/dbraw/zinc/23/81/76/1419238176.db2.gz YGMCPNRAMUFEME-UHFFFAOYSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@H](c1ccc2ccccc2c1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001714539922 1419266122 /nfs/dbraw/zinc/26/61/22/1419266122.db2.gz SDCKPRHQKARAJW-UZLBHIALSA-N 2 1 339.483 3.043 20 0 EGADMP C[C@H](c1ccc2ccccc2c1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001714539922 1419266127 /nfs/dbraw/zinc/26/61/27/1419266127.db2.gz SDCKPRHQKARAJW-UZLBHIALSA-N 2 1 339.483 3.043 20 0 EGADMP Cc1ccccc1C[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001714620387 1419386517 /nfs/dbraw/zinc/38/65/17/1419386517.db2.gz MMEXOUMGZVEJRC-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001714620387 1419386520 /nfs/dbraw/zinc/38/65/20/1419386520.db2.gz MMEXOUMGZVEJRC-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001714620387 1419386524 /nfs/dbraw/zinc/38/65/24/1419386524.db2.gz MMEXOUMGZVEJRC-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H](C)c1ccccc1C ZINC001714657585 1419440022 /nfs/dbraw/zinc/44/00/22/1419440022.db2.gz XWKDWENTFFNROD-SFHVURJKSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(CC)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001715045813 1419786072 /nfs/dbraw/zinc/78/60/72/1419786072.db2.gz LDQODWDFFVLDCK-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001715045813 1419786074 /nfs/dbraw/zinc/78/60/74/1419786074.db2.gz LDQODWDFFVLDCK-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001715045813 1419786076 /nfs/dbraw/zinc/78/60/76/1419786076.db2.gz LDQODWDFFVLDCK-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CC[NH2+]Cc1ccc(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)cc1 ZINC001715198539 1419930459 /nfs/dbraw/zinc/93/04/59/1419930459.db2.gz ZCULVEQJJSGQNP-HXUWFJFHSA-N 2 1 339.483 3.105 20 0 EGADMP Cc1ccc(C)c(C[NH2+][C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C(C)C)c1 ZINC001715492461 1420173829 /nfs/dbraw/zinc/17/38/29/1420173829.db2.gz QBWHLFPTZVLMGG-FQEVSTJZSA-N 2 1 345.531 3.018 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)Cc1cccc2ccccc21 ZINC001715536270 1420231635 /nfs/dbraw/zinc/23/16/35/1420231635.db2.gz SCJROZMIJFZJSN-UHFFFAOYSA-N 2 1 341.499 3.072 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)Cc1cccc2ccccc21 ZINC001715536270 1420231637 /nfs/dbraw/zinc/23/16/37/1420231637.db2.gz SCJROZMIJFZJSN-UHFFFAOYSA-N 2 1 341.499 3.072 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)Cc1cccc2ccccc21 ZINC001715536270 1420231639 /nfs/dbraw/zinc/23/16/39/1420231639.db2.gz SCJROZMIJFZJSN-UHFFFAOYSA-N 2 1 341.499 3.072 20 0 EGADMP CC(C)c1ccccc1C[N@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001715536653 1420232010 /nfs/dbraw/zinc/23/20/10/1420232010.db2.gz LRCQIDPHCZTFIW-HXUWFJFHSA-N 2 1 347.547 3.286 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715959158 1420425746 /nfs/dbraw/zinc/42/57/46/1420425746.db2.gz UXWRGKHFJJZEGG-RBUKOAKNSA-N 2 1 339.568 3.323 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001716219940 1420570747 /nfs/dbraw/zinc/57/07/47/1420570747.db2.gz HQZNKLNZXGPVHN-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001716501117 1420728128 /nfs/dbraw/zinc/72/81/28/1420728128.db2.gz ALJGUMRIHMRBIR-DLBZAZTESA-N 2 1 345.531 3.015 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001716501117 1420728130 /nfs/dbraw/zinc/72/81/30/1420728130.db2.gz ALJGUMRIHMRBIR-DLBZAZTESA-N 2 1 345.531 3.015 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001716501117 1420728135 /nfs/dbraw/zinc/72/81/35/1420728135.db2.gz ALJGUMRIHMRBIR-DLBZAZTESA-N 2 1 345.531 3.015 20 0 EGADMP CCC(CC)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001717001037 1421071215 /nfs/dbraw/zinc/07/12/15/1421071215.db2.gz LSHXNOCZZSPNPF-GUDVDZBRSA-N 2 1 337.552 3.029 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001717340996 1421278647 /nfs/dbraw/zinc/27/86/47/1421278647.db2.gz VYQNKJKQTHVWBR-IRXDYDNUSA-N 2 1 331.504 3.025 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001717370181 1421308373 /nfs/dbraw/zinc/30/83/73/1421308373.db2.gz CQMZSQWJLAIZPJ-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(CC)cc2)[C@@H]1C ZINC001717861629 1421674638 /nfs/dbraw/zinc/67/46/38/1421674638.db2.gz ZANUPWCZLHXAGK-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(CC)cc2)[C@@H]1C ZINC001717861629 1421674639 /nfs/dbraw/zinc/67/46/39/1421674639.db2.gz ZANUPWCZLHXAGK-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(CC)cc2)[C@@H]1C ZINC001717861629 1421674640 /nfs/dbraw/zinc/67/46/40/1421674640.db2.gz ZANUPWCZLHXAGK-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC(C)C)cc1F ZINC001718034806 1421786627 /nfs/dbraw/zinc/78/66/27/1421786627.db2.gz SDGNWEIYPJUJKE-LJQANCHMSA-N 2 1 349.494 3.062 20 0 EGADMP CCCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001723649536 1424514875 /nfs/dbraw/zinc/51/48/75/1424514875.db2.gz PVWUQDJWMIPRQP-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001723649536 1424514877 /nfs/dbraw/zinc/51/48/77/1424514877.db2.gz PVWUQDJWMIPRQP-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001723649536 1424514880 /nfs/dbraw/zinc/51/48/80/1424514880.db2.gz PVWUQDJWMIPRQP-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C2)cc1 ZINC001724174476 1424709040 /nfs/dbraw/zinc/70/90/40/1424709040.db2.gz QPMNFRSISRKIMS-NRFANRHFSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C2)cc1 ZINC001724174476 1424709045 /nfs/dbraw/zinc/70/90/45/1424709045.db2.gz QPMNFRSISRKIMS-NRFANRHFSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C2)cc1 ZINC001724174476 1424709051 /nfs/dbraw/zinc/70/90/51/1424709051.db2.gz QPMNFRSISRKIMS-NRFANRHFSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001724183691 1424717364 /nfs/dbraw/zinc/71/73/64/1424717364.db2.gz KJZZIXVHXROOBS-FQEVSTJZSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+](CCC2CCCCCC2)C1 ZINC001724183691 1424717370 /nfs/dbraw/zinc/71/73/70/1424717370.db2.gz KJZZIXVHXROOBS-FQEVSTJZSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](CCC2CCCCCC2)C1 ZINC001724183691 1424717375 /nfs/dbraw/zinc/71/73/75/1424717375.db2.gz KJZZIXVHXROOBS-FQEVSTJZSA-N 2 1 337.552 3.269 20 0 EGADMP Cc1cccc(C[N@@H+]2CCC[C@@](C)(CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001724330667 1424823291 /nfs/dbraw/zinc/82/32/91/1424823291.db2.gz QDPSRBXBODJIBU-NRFANRHFSA-N 2 1 345.531 3.055 20 0 EGADMP C[C@]1(CNC(=O)CCC[NH+]2CCCCC2)CCC[N@@H+](CC2CCC2)C1 ZINC001724342685 1424840021 /nfs/dbraw/zinc/84/00/21/1424840021.db2.gz KWOUTKIFDHRLDE-OAQYLSRUSA-N 2 1 349.563 3.271 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CCCC3CCCC3)C[C@H]21 ZINC001724658873 1425030771 /nfs/dbraw/zinc/03/07/71/1425030771.db2.gz LKATWMUZHGXHOS-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21 ZINC001724658873 1425030784 /nfs/dbraw/zinc/03/07/84/1425030784.db2.gz LKATWMUZHGXHOS-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21 ZINC001724658873 1425030795 /nfs/dbraw/zinc/03/07/95/1425030795.db2.gz LKATWMUZHGXHOS-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001733569127 1429772165 /nfs/dbraw/zinc/77/21/65/1429772165.db2.gz FFMCRCCOCLVHEO-BJLQDIEVSA-N 2 1 345.531 3.212 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2C)CC1 ZINC001724753809 1425124557 /nfs/dbraw/zinc/12/45/57/1425124557.db2.gz HNUUSCQERPVQSI-KESTWPANSA-N 2 1 345.531 3.101 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2csc(C)c2)CCC1 ZINC001724800862 1425169447 /nfs/dbraw/zinc/16/94/47/1425169447.db2.gz OVZVZGFGOHMJRC-KRWDZBQOSA-N 2 1 349.544 3.059 20 0 EGADMP C[C@H](c1ccccc1F)[N@@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001724853922 1425221332 /nfs/dbraw/zinc/22/13/32/1425221332.db2.gz HCKAJNSZQALESY-MRXNPFEDSA-N 2 1 349.494 3.009 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH+](C)[C@H](C)c1ccccc1 ZINC001724859295 1425240748 /nfs/dbraw/zinc/24/07/48/1425240748.db2.gz CIJKBWOLTIOXID-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CCC[N@H+](C)[C@H](C)c1ccccc1 ZINC001724859295 1425240753 /nfs/dbraw/zinc/24/07/53/1425240753.db2.gz CIJKBWOLTIOXID-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)[C@H](C)c1ccccc1 ZINC001724859295 1425240757 /nfs/dbraw/zinc/24/07/57/1425240757.db2.gz CIJKBWOLTIOXID-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@@H+](C)CCC1CCCC1 ZINC001725157323 1425649309 /nfs/dbraw/zinc/64/93/09/1425649309.db2.gz BUFFPRUFDRZPPE-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CCc1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001725179265 1425701695 /nfs/dbraw/zinc/70/16/95/1425701695.db2.gz HHBQSDJXAUZUQV-QGZVFWFLSA-N 2 1 347.547 3.163 20 0 EGADMP CCc1ccccc1C[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001725179265 1425701698 /nfs/dbraw/zinc/70/16/98/1425701698.db2.gz HHBQSDJXAUZUQV-QGZVFWFLSA-N 2 1 347.547 3.163 20 0 EGADMP CCc1ccccc1C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001725179265 1425701702 /nfs/dbraw/zinc/70/17/02/1425701702.db2.gz HHBQSDJXAUZUQV-QGZVFWFLSA-N 2 1 347.547 3.163 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001731351856 1427290905 /nfs/dbraw/zinc/29/09/05/1427290905.db2.gz GWUNHSPUWWYPDH-UHFFFAOYSA-N 2 1 325.541 3.077 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001731354479 1427294568 /nfs/dbraw/zinc/29/45/68/1427294568.db2.gz GQCJQVWNMITEIH-QZTJIDSGSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001731354479 1427294570 /nfs/dbraw/zinc/29/45/70/1427294570.db2.gz GQCJQVWNMITEIH-QZTJIDSGSA-N 2 1 348.535 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001731354864 1427294959 /nfs/dbraw/zinc/29/49/59/1427294959.db2.gz CGTZQAXEYKOGCM-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](CC)c2ccccc2)C1 ZINC001731354864 1427294961 /nfs/dbraw/zinc/29/49/61/1427294961.db2.gz CGTZQAXEYKOGCM-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC001731354864 1427294963 /nfs/dbraw/zinc/29/49/63/1427294963.db2.gz CGTZQAXEYKOGCM-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001731387108 1427334640 /nfs/dbraw/zinc/33/46/40/1427334640.db2.gz FVEIYICGAWAALL-VIQWUECVSA-N 2 1 349.563 3.077 20 0 EGADMP CCc1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CCC[NH+](C)C)c1 ZINC001731539413 1427542222 /nfs/dbraw/zinc/54/22/22/1427542222.db2.gz RQEIBBXERDGDGN-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CC1CCC2(CC2)CC1)[NH+](C)C ZINC001731544243 1427559869 /nfs/dbraw/zinc/55/98/69/1427559869.db2.gz XOYDGJXWQGKDBA-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCC[N@H+]1CCCC1CCC1)CC(C)(C)C ZINC001731834043 1428048284 /nfs/dbraw/zinc/04/82/84/1428048284.db2.gz JNXRYRPKVQDTHV-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1)CC(C)(C)C ZINC001731834043 1428048278 /nfs/dbraw/zinc/04/82/78/1428048278.db2.gz JNXRYRPKVQDTHV-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCC1)CC(C)(C)C ZINC001731834043 1428048279 /nfs/dbraw/zinc/04/82/79/1428048279.db2.gz JNXRYRPKVQDTHV-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC001731988025 1428198587 /nfs/dbraw/zinc/19/85/87/1428198587.db2.gz RIIKPEFZCWQTNE-YLJYHZDGSA-N 2 1 339.483 3.099 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001733782849 1430050088 /nfs/dbraw/zinc/05/00/88/1430050088.db2.gz PYJVWEDHBBEIRT-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001733782849 1430050094 /nfs/dbraw/zinc/05/00/94/1430050094.db2.gz PYJVWEDHBBEIRT-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001733782849 1430050101 /nfs/dbraw/zinc/05/01/01/1430050101.db2.gz PYJVWEDHBBEIRT-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCc1ccc2c(c1)C[NH+](CC1CCC1)C2 ZINC001733835363 1430106578 /nfs/dbraw/zinc/10/65/78/1430106578.db2.gz FBWDWKQDTGTIGR-UHFFFAOYSA-N 2 1 343.515 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)NCc1ccc2c(c1)C[N@@H+](CC1CCC1)C2 ZINC001733835363 1430106581 /nfs/dbraw/zinc/10/65/81/1430106581.db2.gz FBWDWKQDTGTIGR-UHFFFAOYSA-N 2 1 343.515 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)NCc1ccc2c(c1)C[N@H+](CC1CCC1)C2 ZINC001733835363 1430106585 /nfs/dbraw/zinc/10/65/85/1430106585.db2.gz FBWDWKQDTGTIGR-UHFFFAOYSA-N 2 1 343.515 3.150 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cccc(CC)c2)[C@@H](C)C1 ZINC001733897975 1437715355 /nfs/dbraw/zinc/71/53/55/1437715355.db2.gz BOLMIJDZQQPLOZ-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2cccc(CC)c2)[C@@H](C)C1 ZINC001733897975 1437715358 /nfs/dbraw/zinc/71/53/58/1437715358.db2.gz BOLMIJDZQQPLOZ-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(CC)c2)[C@@H](C)C1 ZINC001733897975 1437715359 /nfs/dbraw/zinc/71/53/59/1437715359.db2.gz BOLMIJDZQQPLOZ-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CCCC(C)(C)C ZINC001733902572 1437720613 /nfs/dbraw/zinc/72/06/13/1437720613.db2.gz VOZZRLPZAZUEKY-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001733941701 1437758170 /nfs/dbraw/zinc/75/81/70/1437758170.db2.gz SCNIVFOQKCFHBK-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001733941701 1437758172 /nfs/dbraw/zinc/75/81/72/1437758172.db2.gz SCNIVFOQKCFHBK-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001733941701 1437758175 /nfs/dbraw/zinc/75/81/75/1437758175.db2.gz SCNIVFOQKCFHBK-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)[C@@H]1C ZINC001734401749 1438083135 /nfs/dbraw/zinc/08/31/35/1438083135.db2.gz YCZUJYVMSKPNGD-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1cc(C)ccc1C)C(C)(C)C ZINC001734573613 1438167134 /nfs/dbraw/zinc/16/71/34/1438167134.db2.gz IMQQVJCHXVBMSK-IBGZPJMESA-N 2 1 347.547 3.266 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2ccccc2C(C)C)C1 ZINC001734601737 1438183178 /nfs/dbraw/zinc/18/31/78/1438183178.db2.gz YDNGXGSTLJPDBI-UHFFFAOYSA-N 2 1 345.531 3.231 20 0 EGADMP CC[N@@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC1=CCCCC1 ZINC001752229533 1440158089 /nfs/dbraw/zinc/15/80/89/1440158089.db2.gz LTOWJQIHHCOQSV-HDICACEKSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CC1=CCCCC1 ZINC001752229533 1440158090 /nfs/dbraw/zinc/15/80/90/1440158090.db2.gz LTOWJQIHHCOQSV-HDICACEKSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC1=CCCCC1 ZINC001752229533 1440158092 /nfs/dbraw/zinc/15/80/92/1440158092.db2.gz LTOWJQIHHCOQSV-HDICACEKSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)Cc1cccc(C)c1 ZINC001752229106 1440158119 /nfs/dbraw/zinc/15/81/19/1440158119.db2.gz HRAMMRXUYQFQJB-KDURUIRLSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)Cc1cccc(C)c1 ZINC001752229106 1440158120 /nfs/dbraw/zinc/15/81/20/1440158120.db2.gz HRAMMRXUYQFQJB-KDURUIRLSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)Cc1cccc(C)c1 ZINC001752229106 1440158122 /nfs/dbraw/zinc/15/81/22/1440158122.db2.gz HRAMMRXUYQFQJB-KDURUIRLSA-N 2 1 345.531 3.196 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001752293370 1440166661 /nfs/dbraw/zinc/16/66/61/1440166661.db2.gz JPGPQCJGHMSEPG-QUCCMNQESA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001752293370 1440166662 /nfs/dbraw/zinc/16/66/62/1440166662.db2.gz JPGPQCJGHMSEPG-QUCCMNQESA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001752293370 1440166664 /nfs/dbraw/zinc/16/66/64/1440166664.db2.gz JPGPQCJGHMSEPG-QUCCMNQESA-N 2 1 343.515 3.060 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001752432343 1440178766 /nfs/dbraw/zinc/17/87/66/1440178766.db2.gz TZWGXTRXSIBQLK-MOPGFXCFSA-N 2 1 343.515 3.060 20 0 EGADMP Cc1ccccc1C[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001752524326 1440192591 /nfs/dbraw/zinc/19/25/91/1440192591.db2.gz DOIZPSMVWFOZDP-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001752524326 1440192592 /nfs/dbraw/zinc/19/25/92/1440192592.db2.gz DOIZPSMVWFOZDP-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP Cc1ccccc1C[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001752524326 1440192593 /nfs/dbraw/zinc/19/25/93/1440192593.db2.gz DOIZPSMVWFOZDP-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP Cc1ccccc1C[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001752524327 1440192634 /nfs/dbraw/zinc/19/26/34/1440192634.db2.gz DOIZPSMVWFOZDP-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP Cc1ccccc1C[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001752524327 1440192635 /nfs/dbraw/zinc/19/26/35/1440192635.db2.gz DOIZPSMVWFOZDP-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP Cc1ccccc1C[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001752524327 1440192636 /nfs/dbraw/zinc/19/26/36/1440192636.db2.gz DOIZPSMVWFOZDP-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1cc(C)ccc1C ZINC001752824065 1440222485 /nfs/dbraw/zinc/22/24/85/1440222485.db2.gz OWRJZNQCFHPAOZ-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C)ccc1C ZINC001752824065 1440222486 /nfs/dbraw/zinc/22/24/86/1440222486.db2.gz OWRJZNQCFHPAOZ-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C)ccc1C ZINC001752824065 1440222487 /nfs/dbraw/zinc/22/24/87/1440222487.db2.gz OWRJZNQCFHPAOZ-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001752832529 1440226066 /nfs/dbraw/zinc/22/60/66/1440226066.db2.gz XSGIEBCJCRMPKD-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CCCC2CCC2)C1 ZINC001752992990 1440260506 /nfs/dbraw/zinc/26/05/06/1440260506.db2.gz YAIGZAJTACNNIA-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CCCC2CCC2)C1 ZINC001752992990 1440260507 /nfs/dbraw/zinc/26/05/07/1440260507.db2.gz YAIGZAJTACNNIA-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001752992990 1440260508 /nfs/dbraw/zinc/26/05/08/1440260508.db2.gz YAIGZAJTACNNIA-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001753000333 1440264217 /nfs/dbraw/zinc/26/42/17/1440264217.db2.gz QNCHMNRHJHPHEW-HXUWFJFHSA-N 2 1 347.547 3.286 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CCC1 ZINC001753028494 1440272242 /nfs/dbraw/zinc/27/22/42/1440272242.db2.gz HSAACGRRNRAHDZ-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCC1 ZINC001753028494 1440272243 /nfs/dbraw/zinc/27/22/43/1440272243.db2.gz HSAACGRRNRAHDZ-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC1CCC1 ZINC001753028494 1440272244 /nfs/dbraw/zinc/27/22/44/1440272244.db2.gz HSAACGRRNRAHDZ-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001753033124 1440273716 /nfs/dbraw/zinc/27/37/16/1440273716.db2.gz FISMVQUJZAOFHC-VZSQWMKGSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001753033890 1440273777 /nfs/dbraw/zinc/27/37/77/1440273777.db2.gz VJFCMPNPRMTJEO-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001753033890 1440273778 /nfs/dbraw/zinc/27/37/78/1440273778.db2.gz VJFCMPNPRMTJEO-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NCCC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001753033890 1440273779 /nfs/dbraw/zinc/27/37/79/1440273779.db2.gz VJFCMPNPRMTJEO-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC1CC1 ZINC001753035752 1440274636 /nfs/dbraw/zinc/27/46/36/1440274636.db2.gz JVQUHJLPVTZZPD-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CCC1CC1 ZINC001753035752 1440274637 /nfs/dbraw/zinc/27/46/37/1440274637.db2.gz JVQUHJLPVTZZPD-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CCC1CC1 ZINC001753035752 1440274638 /nfs/dbraw/zinc/27/46/38/1440274638.db2.gz JVQUHJLPVTZZPD-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CCC1 ZINC001753039908 1440275912 /nfs/dbraw/zinc/27/59/12/1440275912.db2.gz MQVSEXZQHWAHQK-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCC1 ZINC001753039908 1440275913 /nfs/dbraw/zinc/27/59/13/1440275913.db2.gz MQVSEXZQHWAHQK-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCC1 ZINC001753039908 1440275914 /nfs/dbraw/zinc/27/59/14/1440275914.db2.gz MQVSEXZQHWAHQK-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)CCC1CCCCC1 ZINC001753082719 1440294697 /nfs/dbraw/zinc/29/46/97/1440294697.db2.gz NNFNNIMEAAPEGR-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)CCC1CCCCC1 ZINC001753082719 1440294698 /nfs/dbraw/zinc/29/46/98/1440294698.db2.gz NNFNNIMEAAPEGR-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)CCC1CCCCC1 ZINC001753082719 1440294699 /nfs/dbraw/zinc/29/46/99/1440294699.db2.gz NNFNNIMEAAPEGR-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001753107629 1440306795 /nfs/dbraw/zinc/30/67/95/1440306795.db2.gz CBLGJMQXWWUJRI-SFHVURJKSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1cc(C)ccc1C ZINC001753145379 1440324036 /nfs/dbraw/zinc/32/40/36/1440324036.db2.gz FXRLBVZXCKJGPP-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1cc(C)ccc1C ZINC001753145379 1440324037 /nfs/dbraw/zinc/32/40/37/1440324037.db2.gz FXRLBVZXCKJGPP-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1cc(C)ccc1C ZINC001753145379 1440324038 /nfs/dbraw/zinc/32/40/38/1440324038.db2.gz FXRLBVZXCKJGPP-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001753313242 1440357944 /nfs/dbraw/zinc/35/79/44/1440357944.db2.gz WGEOAGKOZCCNML-PMACEKPBSA-N 2 1 345.531 3.352 20 0 EGADMP CCCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001753319370 1440362161 /nfs/dbraw/zinc/36/21/61/1440362161.db2.gz DJEBTEQECFPIND-RBUKOAKNSA-N 2 1 337.552 3.364 20 0 EGADMP CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC[N@@H+](C[C@@H](C)CC)C1 ZINC001753325508 1440366322 /nfs/dbraw/zinc/36/63/22/1440366322.db2.gz BPRZWMGZJMRERU-ROUUACIJSA-N 2 1 339.568 3.323 20 0 EGADMP CCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1CC[NH+](C[C@@H](C)CC)C1 ZINC001753325508 1440366323 /nfs/dbraw/zinc/36/63/23/1440366323.db2.gz BPRZWMGZJMRERU-ROUUACIJSA-N 2 1 339.568 3.323 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1CC[NH+](C[C@@H](C)CC)C1 ZINC001753325508 1440366324 /nfs/dbraw/zinc/36/63/24/1440366324.db2.gz BPRZWMGZJMRERU-ROUUACIJSA-N 2 1 339.568 3.323 20 0 EGADMP CC[C@H](C)C[N@@H+](C)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001753368096 1440386530 /nfs/dbraw/zinc/38/65/30/1440386530.db2.gz YILLPODVZSVFOW-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001753445428 1440403457 /nfs/dbraw/zinc/40/34/57/1440403457.db2.gz LUKLTRICNULLPS-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001753445428 1440403458 /nfs/dbraw/zinc/40/34/58/1440403458.db2.gz LUKLTRICNULLPS-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001753446266 1440403916 /nfs/dbraw/zinc/40/39/16/1440403916.db2.gz HFLLENGMNLEOIE-RBUKOAKNSA-N 2 1 345.531 3.239 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001753446266 1440403917 /nfs/dbraw/zinc/40/39/17/1440403917.db2.gz HFLLENGMNLEOIE-RBUKOAKNSA-N 2 1 345.531 3.239 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001753446266 1440403918 /nfs/dbraw/zinc/40/39/18/1440403918.db2.gz HFLLENGMNLEOIE-RBUKOAKNSA-N 2 1 345.531 3.239 20 0 EGADMP CCc1ccccc1C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001753471494 1440413992 /nfs/dbraw/zinc/41/39/92/1440413992.db2.gz NWWKPZRMOBXODP-PMACEKPBSA-N 2 1 345.531 3.106 20 0 EGADMP CC(C)CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001753508360 1440425111 /nfs/dbraw/zinc/42/51/11/1440425111.db2.gz HOSJOYCWWQIOJP-MOPGFXCFSA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCC[C@@H]1C ZINC001753536372 1440432697 /nfs/dbraw/zinc/43/26/97/1440432697.db2.gz SUGGAQLHHBTZTK-QFBILLFUSA-N 2 1 334.508 3.070 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(CF)cc2)CC1 ZINC001753587413 1440441751 /nfs/dbraw/zinc/44/17/51/1440441751.db2.gz VQIIULUSOLVSAT-WGSAOQKQSA-N 2 1 349.494 3.015 20 0 EGADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]CCC1CCCCCC1 ZINC001753637819 1440453582 /nfs/dbraw/zinc/45/35/82/1440453582.db2.gz ONNGCDXBZUJJKO-HKUYNNGSSA-N 2 1 337.552 3.031 20 0 EGADMP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C[NH2+]CCC(C)(C)C ZINC001753644716 1440455433 /nfs/dbraw/zinc/45/54/33/1440455433.db2.gz LMRCLVRZQWWBKI-SJLPKXTDSA-N 2 1 333.520 3.067 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC1([NH2+]CC2CCCC2)CCCC1 ZINC001753669947 1440461688 /nfs/dbraw/zinc/46/16/88/1440461688.db2.gz MDWOSQLKMIARHF-UHFFFAOYSA-N 2 1 346.519 3.181 20 0 EGADMP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC001753670884 1440462038 /nfs/dbraw/zinc/46/20/38/1440462038.db2.gz LZBGBHXWZWMKNZ-FUHWJXTLSA-N 2 1 349.494 3.056 20 0 EGADMP CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CCCCC1 ZINC001753745725 1440480953 /nfs/dbraw/zinc/48/09/53/1440480953.db2.gz IMKAWSACNPROOH-RBUKOAKNSA-N 2 1 337.552 3.314 20 0 EGADMP C[C@@H](F)CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001753794978 1440489621 /nfs/dbraw/zinc/48/96/21/1440489621.db2.gz FIXIZYBSXSOIBE-SJORKVTESA-N 2 1 343.531 3.073 20 0 EGADMP CC[N@@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001753823363 1440497285 /nfs/dbraw/zinc/49/72/85/1440497285.db2.gz FQGDWQSVQFFIFR-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001753831119 1440499558 /nfs/dbraw/zinc/49/95/58/1440499558.db2.gz NFTBPNWRLKCZMR-OALUTQOASA-N 2 1 335.536 3.090 20 0 EGADMP Cc1c(C)c(C)c(C[N@H+](C)CCN(C)C(=O)CC[NH+](C)C)c(C)c1C ZINC001753861731 1440512171 /nfs/dbraw/zinc/51/21/71/1440512171.db2.gz PYPRGHNAFRGOQB-UHFFFAOYSA-N 2 1 347.547 3.071 20 0 EGADMP C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001753971285 1440527150 /nfs/dbraw/zinc/52/71/50/1440527150.db2.gz WBNOXPVIONFRRH-XLIONFOSSA-N 2 1 343.515 3.078 20 0 EGADMP C[C@@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1cccc(Cl)c1 ZINC001754122267 1440542866 /nfs/dbraw/zinc/54/28/66/1440542866.db2.gz ZBUKRMXKGRMJTR-KWNLBSCQSA-N 2 1 349.906 3.003 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC/C=C/C[NH2+][C@H](C)c1ccccc1 ZINC001754178548 1440547895 /nfs/dbraw/zinc/54/78/95/1440547895.db2.gz QERMDKXIGOXIJO-IWAYRVGRSA-N 2 1 340.471 3.030 20 0 EGADMP Cc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001754326448 1440580948 /nfs/dbraw/zinc/58/09/48/1440580948.db2.gz KGCOHUSYSQXQPT-ICSRJNTNSA-N 2 1 345.531 3.194 20 0 EGADMP Cc1ccccc1C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001754326448 1440580949 /nfs/dbraw/zinc/58/09/49/1440580949.db2.gz KGCOHUSYSQXQPT-ICSRJNTNSA-N 2 1 345.531 3.194 20 0 EGADMP Cc1ccccc1C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001754326448 1440580950 /nfs/dbraw/zinc/58/09/50/1440580950.db2.gz KGCOHUSYSQXQPT-ICSRJNTNSA-N 2 1 345.531 3.194 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001754371039 1440592610 /nfs/dbraw/zinc/59/26/10/1440592610.db2.gz VOKRNMKPKIBDNC-UYAOXDASSA-N 2 1 345.531 3.367 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001754482731 1440607746 /nfs/dbraw/zinc/60/77/46/1440607746.db2.gz RHHQJCCITVTLOE-SJLPKXTDSA-N 2 1 346.519 3.167 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001754482731 1440607747 /nfs/dbraw/zinc/60/77/47/1440607747.db2.gz RHHQJCCITVTLOE-SJLPKXTDSA-N 2 1 346.519 3.167 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H]1CC[NH+]1CCCC1CCC1 ZINC001754487864 1440609206 /nfs/dbraw/zinc/60/92/06/1440609206.db2.gz RHENTDJDKFVRMM-LJQANCHMSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCC1 ZINC001754487864 1440609207 /nfs/dbraw/zinc/60/92/07/1440609207.db2.gz RHENTDJDKFVRMM-LJQANCHMSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)NC[C@H]1CC[N@H+]1CCCC1CCC1 ZINC001754487864 1440609208 /nfs/dbraw/zinc/60/92/08/1440609208.db2.gz RHENTDJDKFVRMM-LJQANCHMSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](C(=O)NC[C@H]1CC[N@H+]1CCC1=CCCCC1)[NH+]1CCCCCC1 ZINC001754495158 1440611856 /nfs/dbraw/zinc/61/18/56/1440611856.db2.gz GITUGYVWIVNRGC-UYAOXDASSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001754537674 1440624957 /nfs/dbraw/zinc/62/49/57/1440624957.db2.gz CHSODZVHLHRQTH-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)CC[N@H+](C)CCC)CC2)C1 ZINC001754537674 1440624958 /nfs/dbraw/zinc/62/49/58/1440624958.db2.gz CHSODZVHLHRQTH-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)CC[N@@H+](C)CCC)CC2)C1 ZINC001754537674 1440624959 /nfs/dbraw/zinc/62/49/59/1440624959.db2.gz CHSODZVHLHRQTH-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001754543126 1440626480 /nfs/dbraw/zinc/62/64/80/1440626480.db2.gz RMRQRKYLSQGXPW-FUMNGEBKSA-N 2 1 349.563 3.362 20 0 EGADMP CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001754543126 1440626481 /nfs/dbraw/zinc/62/64/81/1440626481.db2.gz RMRQRKYLSQGXPW-FUMNGEBKSA-N 2 1 349.563 3.362 20 0 EGADMP CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001754543126 1440626482 /nfs/dbraw/zinc/62/64/82/1440626482.db2.gz RMRQRKYLSQGXPW-FUMNGEBKSA-N 2 1 349.563 3.362 20 0 EGADMP CC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)CCC ZINC001754545740 1440627263 /nfs/dbraw/zinc/62/72/63/1440627263.db2.gz BDNVIDTXVYZVSL-FUVPAVLMSA-N 2 1 335.536 3.186 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001754557980 1440632658 /nfs/dbraw/zinc/63/26/58/1440632658.db2.gz USFURCXHUJDGJY-KTBYTZPXSA-N 2 1 347.547 3.142 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001754557980 1440632659 /nfs/dbraw/zinc/63/26/59/1440632659.db2.gz USFURCXHUJDGJY-KTBYTZPXSA-N 2 1 347.547 3.142 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001754557980 1440632660 /nfs/dbraw/zinc/63/26/60/1440632660.db2.gz USFURCXHUJDGJY-KTBYTZPXSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001754568339 1440636671 /nfs/dbraw/zinc/63/66/71/1440636671.db2.gz CAYAQBIAVOCHQS-HXUWFJFHSA-N 2 1 337.552 3.079 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCCCCC1)C1CCCC1 ZINC001754644529 1440649777 /nfs/dbraw/zinc/64/97/77/1440649777.db2.gz CHRSQHFPCYNSAJ-PMACEKPBSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C2CCCC2)C1 ZINC001754655208 1440653233 /nfs/dbraw/zinc/65/32/33/1440653233.db2.gz ZMHJSPKYFDHOSF-WMZOPIPTSA-N 2 1 337.552 3.029 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001754661505 1440655043 /nfs/dbraw/zinc/65/50/43/1440655043.db2.gz GLVPKGTYUVTLGQ-LYSGITKLSA-N 2 1 349.563 3.389 20 0 EGADMP C[C@]1(NC(=O)CCC[NH+]2CCCC2)CC[N@@H+](CCCC2CCC2)C1 ZINC001754681703 1440662610 /nfs/dbraw/zinc/66/26/10/1440662610.db2.gz DWBBFNGMPOQEJW-FQEVSTJZSA-N 2 1 335.536 3.023 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001754686097 1440665141 /nfs/dbraw/zinc/66/51/41/1440665141.db2.gz YUGNZIVYOXTKGB-QUCCMNQESA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001754686097 1440665142 /nfs/dbraw/zinc/66/51/42/1440665142.db2.gz YUGNZIVYOXTKGB-QUCCMNQESA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001754686097 1440665143 /nfs/dbraw/zinc/66/51/43/1440665143.db2.gz YUGNZIVYOXTKGB-QUCCMNQESA-N 2 1 349.494 3.198 20 0 EGADMP CCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001754700442 1440667876 /nfs/dbraw/zinc/66/78/76/1440667876.db2.gz YJXDPORREUFZRP-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1(C)CC[NH+](CC(C)C)CC1 ZINC001754716006 1440671524 /nfs/dbraw/zinc/67/15/24/1440671524.db2.gz KFPWQAORHPJWMS-QGZVFWFLSA-N 2 1 348.535 3.271 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001754734408 1440681456 /nfs/dbraw/zinc/68/14/56/1440681456.db2.gz VJHPCSNPTYRHSF-NQIIRXRSSA-N 2 1 343.515 3.062 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCC(C)(C)C ZINC001754865494 1440702681 /nfs/dbraw/zinc/70/26/81/1440702681.db2.gz MTKHGPOCEHKVIP-GUDVDZBRSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC(C)(C)C ZINC001754865494 1440702682 /nfs/dbraw/zinc/70/26/82/1440702682.db2.gz MTKHGPOCEHKVIP-GUDVDZBRSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC(C)(C)C ZINC001754865494 1440702683 /nfs/dbraw/zinc/70/26/83/1440702683.db2.gz MTKHGPOCEHKVIP-GUDVDZBRSA-N 2 1 349.563 3.362 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC1CCCC1 ZINC001754869856 1440704687 /nfs/dbraw/zinc/70/46/87/1440704687.db2.gz QTCJWQWZQJCXII-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC1CCCC1 ZINC001754869856 1440704688 /nfs/dbraw/zinc/70/46/88/1440704688.db2.gz QTCJWQWZQJCXII-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC1CCCC1 ZINC001754869856 1440704689 /nfs/dbraw/zinc/70/46/89/1440704689.db2.gz QTCJWQWZQJCXII-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CC[N@H+](CC2CC2)CC1(C)C ZINC001755139122 1440759576 /nfs/dbraw/zinc/75/95/76/1440759576.db2.gz UGQPGHDDASBPNT-WBVHZDCISA-N 2 1 346.519 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CC[N@@H+](CC2CC2)CC1(C)C ZINC001755139122 1440759577 /nfs/dbraw/zinc/75/95/77/1440759577.db2.gz UGQPGHDDASBPNT-WBVHZDCISA-N 2 1 346.519 3.023 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C)cs1 ZINC001755162669 1440765538 /nfs/dbraw/zinc/76/55/38/1440765538.db2.gz YBMKYJRRHKPPKT-YOEHRIQHSA-N 2 1 349.544 3.010 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)[C@@H](C)C1 ZINC001755166733 1440767694 /nfs/dbraw/zinc/76/76/94/1440767694.db2.gz FPXJIYWDGLGTTQ-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)[C@@H](C)C1 ZINC001755166733 1440767695 /nfs/dbraw/zinc/76/76/95/1440767695.db2.gz FPXJIYWDGLGTTQ-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)[C@@H](C)C1 ZINC001755166733 1440767696 /nfs/dbraw/zinc/76/76/96/1440767696.db2.gz FPXJIYWDGLGTTQ-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H]1C[N@@H+](C)CCC(C)(C)C ZINC001755195324 1440776453 /nfs/dbraw/zinc/77/64/53/1440776453.db2.gz NLZZIGPTKAYDGD-IRXDYDNUSA-N 2 1 343.531 3.025 20 0 EGADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCC(C)(C)C ZINC001755195323 1440776572 /nfs/dbraw/zinc/77/65/72/1440776572.db2.gz NLZZIGPTKAYDGD-IAGOWNOFSA-N 2 1 343.531 3.025 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)Cc1cccc(C)c1 ZINC001755202039 1440780299 /nfs/dbraw/zinc/78/02/99/1440780299.db2.gz YKNRGHNOUZKRNX-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cccc(C)c1 ZINC001755202039 1440780300 /nfs/dbraw/zinc/78/03/00/1440780300.db2.gz YKNRGHNOUZKRNX-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cccc(C)c1 ZINC001755202039 1440780301 /nfs/dbraw/zinc/78/03/01/1440780301.db2.gz YKNRGHNOUZKRNX-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CC1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001755213229 1440783593 /nfs/dbraw/zinc/78/35/93/1440783593.db2.gz YPPOKSMAOSSLGP-AOCRQIFASA-N 2 1 343.515 3.025 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC001755276650 1440799282 /nfs/dbraw/zinc/79/92/82/1440799282.db2.gz QMHCIFURZMZSET-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001755276811 1440799323 /nfs/dbraw/zinc/79/93/23/1440799323.db2.gz WSTIAQVQJYXIHO-UHFFFAOYSA-N 2 1 335.536 3.188 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CC(C)(C)C[NH2+]CC1=CCCCC1 ZINC001755287217 1440802428 /nfs/dbraw/zinc/80/24/28/1440802428.db2.gz RZAWWZYXCGPSMM-HDICACEKSA-N 2 1 349.563 3.434 20 0 EGADMP CN(CC(C)(C)C[NH2+]CC1CCC1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001755287695 1440802573 /nfs/dbraw/zinc/80/25/73/1440802573.db2.gz IDVHNSIALQYOLI-IBGZPJMESA-N 2 1 345.531 3.164 20 0 EGADMP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@@H+](C)Cc1cccc(F)c1 ZINC001755320112 1440817956 /nfs/dbraw/zinc/81/79/56/1440817956.db2.gz NTBJJAMMGVIRQA-IAGOWNOFSA-N 2 1 349.494 3.027 20 0 EGADMP CCc1ccccc1C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001755329173 1440823638 /nfs/dbraw/zinc/82/36/38/1440823638.db2.gz XMCWGBCNFRSVBH-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001755329173 1440823639 /nfs/dbraw/zinc/82/36/39/1440823639.db2.gz XMCWGBCNFRSVBH-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001755329173 1440823640 /nfs/dbraw/zinc/82/36/40/1440823640.db2.gz XMCWGBCNFRSVBH-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC2CC(C)C2)CCCCC1 ZINC001755350890 1440827887 /nfs/dbraw/zinc/82/78/87/1440827887.db2.gz KCYKAKVQQVJUCB-CTWPCTMYSA-N 2 1 349.563 3.314 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@H+]1C/C=C/c1ccccc1 ZINC001755367883 1440835706 /nfs/dbraw/zinc/83/57/06/1440835706.db2.gz JZXBFVNRGVCKPO-JTPHSUOKSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)CC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001755415681 1440848699 /nfs/dbraw/zinc/84/86/99/1440848699.db2.gz KVALAGWDMVJERF-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]2C1 ZINC001755453593 1440854547 /nfs/dbraw/zinc/85/45/47/1440854547.db2.gz QOAPFQXWGSFSOD-XUVXKRRUSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@]2(C)C[NH+](CCC3CCCC3)C[C@]2(C)C1 ZINC001755461292 1440857636 /nfs/dbraw/zinc/85/76/36/1440857636.db2.gz ZVLODUYKHCRAKN-OYRHEFFESA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@]2(C)C[N@H+](CCC3CCCC3)C[C@]2(C)C1 ZINC001755461292 1440857637 /nfs/dbraw/zinc/85/76/37/1440857637.db2.gz ZVLODUYKHCRAKN-OYRHEFFESA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@]2(C)C[N@@H+](CCC3CCCC3)C[C@]2(C)C1 ZINC001755461292 1440857638 /nfs/dbraw/zinc/85/76/38/1440857638.db2.gz ZVLODUYKHCRAKN-OYRHEFFESA-N 2 1 349.563 3.079 20 0 EGADMP CCCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001755471163 1440858810 /nfs/dbraw/zinc/85/88/10/1440858810.db2.gz QIAMKFOPRLARCT-GUDVDZBRSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001755619236 1440889921 /nfs/dbraw/zinc/88/99/21/1440889921.db2.gz UUSQCQLOQWPOBY-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP CCCCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC001755700073 1440899605 /nfs/dbraw/zinc/89/96/05/1440899605.db2.gz BYQGUFGDCBMGRX-IRFCIJBXSA-N 2 1 347.547 3.022 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001755700099 1440899695 /nfs/dbraw/zinc/89/96/95/1440899695.db2.gz CIOIJLCEEYQTLW-QUCCMNQESA-N 2 1 335.536 3.164 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001755700099 1440899696 /nfs/dbraw/zinc/89/96/96/1440899696.db2.gz CIOIJLCEEYQTLW-QUCCMNQESA-N 2 1 335.536 3.164 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001755700099 1440899697 /nfs/dbraw/zinc/89/96/97/1440899697.db2.gz CIOIJLCEEYQTLW-QUCCMNQESA-N 2 1 335.536 3.164 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+][C@@H](C)c2ccccc2C)C(C)(C)C1 ZINC001755765101 1440916005 /nfs/dbraw/zinc/91/60/05/1440916005.db2.gz INZXNLUBLJQWCM-HKUYNNGSSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1cccc(C[N@H+](C)CCN(C(=O)C[NH+](C)C2CCC2)C(C)C)c1 ZINC001755813354 1440921786 /nfs/dbraw/zinc/92/17/86/1440921786.db2.gz NIGRSWUHIKSKIH-UHFFFAOYSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1cccc(C[NH+](C)CCN(C(=O)C[N@H+](C)C2CCC2)C(C)C)c1 ZINC001755813354 1440921787 /nfs/dbraw/zinc/92/17/87/1440921787.db2.gz NIGRSWUHIKSKIH-UHFFFAOYSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1cccc(C[NH+](C)CCN(C(=O)C[N@@H+](C)C2CCC2)C(C)C)c1 ZINC001755813354 1440921788 /nfs/dbraw/zinc/92/17/88/1440921788.db2.gz NIGRSWUHIKSKIH-UHFFFAOYSA-N 2 1 345.531 3.148 20 0 EGADMP CCCC[NH2+]C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC001755839355 1440931169 /nfs/dbraw/zinc/93/11/69/1440931169.db2.gz KQKFHWPVVDBXAS-QZTJIDSGSA-N 2 1 333.520 3.210 20 0 EGADMP Cc1ccc(C)c(C[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C)c1 ZINC001755839326 1440931186 /nfs/dbraw/zinc/93/11/86/1440931186.db2.gz JYBCGRIZSKSVED-IBGZPJMESA-N 2 1 347.547 3.264 20 0 EGADMP CCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001755843315 1440932365 /nfs/dbraw/zinc/93/23/65/1440932365.db2.gz CJJFLNVGZWBVST-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001755846161 1440933352 /nfs/dbraw/zinc/93/33/52/1440933352.db2.gz ONYSTDCSSBGORB-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C2CC[NH+](CCC3CCCC3)CC2)CC1 ZINC001755869366 1440938671 /nfs/dbraw/zinc/93/86/71/1440938671.db2.gz DHNZXXFNXOGCII-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1cccc2ccc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nc12 ZINC001164685676 719601805 /nfs/dbraw/zinc/60/18/05/719601805.db2.gz VMOIJQAICXEQQM-UHFFFAOYSA-N 2 1 349.482 3.215 20 0 EGADMP Cc1cccc2ccc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nc12 ZINC001164685676 719601810 /nfs/dbraw/zinc/60/18/10/719601810.db2.gz VMOIJQAICXEQQM-UHFFFAOYSA-N 2 1 349.482 3.215 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824948317 947003800 /nfs/dbraw/zinc/00/38/00/947003800.db2.gz TXMFAMJPBFAHSJ-JKSUJKDBSA-N 2 1 342.491 3.029 20 0 EGADMP Cc1ccc(-c2nnc([C@H](C)N3CC[C@@]4(CC[N@@H+](C)C4)C3)o2)cc1C ZINC000368354235 168346097 /nfs/dbraw/zinc/34/60/97/168346097.db2.gz HKRYEHQLIUCPAR-OXJNMPFZSA-N 2 1 340.471 3.442 20 0 EGADMP Cc1ccc(-c2nnc([C@@H](C)N3CC[C@@]4(CC[N@@H+](C)C4)C3)o2)cc1C ZINC000368354236 168346237 /nfs/dbraw/zinc/34/62/37/168346237.db2.gz HKRYEHQLIUCPAR-OXQOHEQNSA-N 2 1 340.471 3.442 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC000368521069 168367012 /nfs/dbraw/zinc/36/70/12/168367012.db2.gz BHVBCUPSBGILKP-QFIPXVFZSA-N 2 1 343.559 3.357 20 0 EGADMP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CCC[NH+](CC)CC)ccc2NC1=O ZINC000191608752 529474471 /nfs/dbraw/zinc/47/44/71/529474471.db2.gz DDCKGOKPCORNRU-PBHICJAKSA-N 2 1 333.476 3.179 20 0 EGADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414999635 309113437 /nfs/dbraw/zinc/11/34/37/309113437.db2.gz JNSKEUGEWRZSAG-LLVKDONJSA-N 2 1 329.441 3.206 20 0 EGADMP C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000168509187 291125210 /nfs/dbraw/zinc/12/52/10/291125210.db2.gz JGSVONFGWIUOHM-OJAHFUOMSA-N 2 1 343.515 3.015 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C[C@H]1C[NH3+] ZINC000253181625 201184729 /nfs/dbraw/zinc/18/47/29/201184729.db2.gz FJCAEHIYSLZMBS-TZMCWYRMSA-N 2 1 348.288 3.414 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C[C@H]1C[NH3+] ZINC000253181625 201184732 /nfs/dbraw/zinc/18/47/32/201184732.db2.gz FJCAEHIYSLZMBS-TZMCWYRMSA-N 2 1 348.288 3.414 20 0 EGADMP C[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000261601921 201194704 /nfs/dbraw/zinc/19/47/04/201194704.db2.gz BNUKIIKWAAQROG-APWZRJJASA-N 2 1 331.504 3.093 20 0 EGADMP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272372802 201250626 /nfs/dbraw/zinc/25/06/26/201250626.db2.gz UZEWIRHGFMMSKB-AEEMCCEDSA-N 2 1 328.500 3.300 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CC2CC[NH2+]CC2)c1 ZINC000236828523 242373344 /nfs/dbraw/zinc/37/33/44/242373344.db2.gz ZYDDVSGJNGIUAR-UHFFFAOYSA-N 2 1 340.471 3.383 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000237592416 242707068 /nfs/dbraw/zinc/70/70/68/242707068.db2.gz WRJGJJRCJPEJIG-CQSZACIVSA-N 2 1 343.862 3.457 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]C2CCC(c3ccccc3)CC2)CC1 ZINC000128289678 205142485 /nfs/dbraw/zinc/14/24/85/205142485.db2.gz RUQIKNFHYYFGFX-UHFFFAOYSA-N 2 1 329.532 3.330 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)CC[N@H+]1C ZINC000129301141 205188184 /nfs/dbraw/zinc/18/81/84/205188184.db2.gz LKDZVCHBENTKJL-CZUORRHYSA-N 2 1 330.394 3.338 20 0 EGADMP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCCO[C@H]21 ZINC000246971783 205247376 /nfs/dbraw/zinc/24/73/76/205247376.db2.gz QEYFKPFDLVQENM-XUVXKRRUSA-N 2 1 328.500 3.444 20 0 EGADMP Cc1csc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)n1 ZINC000132872744 205347081 /nfs/dbraw/zinc/34/70/81/205347081.db2.gz WXVUMIOHCGXPCN-UHFFFAOYSA-N 2 1 344.528 3.272 20 0 EGADMP CCOc1cc(CCC[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)ccc1OC ZINC000133897079 205383346 /nfs/dbraw/zinc/38/33/46/205383346.db2.gz JJYFMUIPQBIICR-SJLPKXTDSA-N 2 1 334.504 3.346 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000155678137 206027603 /nfs/dbraw/zinc/02/76/03/206027603.db2.gz PSRNMQJBFSSTKM-UWVAXJGDSA-N 2 1 329.532 3.142 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000155678137 206027608 /nfs/dbraw/zinc/02/76/08/206027608.db2.gz PSRNMQJBFSSTKM-UWVAXJGDSA-N 2 1 329.532 3.142 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000155678137 206027610 /nfs/dbraw/zinc/02/76/10/206027610.db2.gz PSRNMQJBFSSTKM-UWVAXJGDSA-N 2 1 329.532 3.142 20 0 EGADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000155678137 206027617 /nfs/dbraw/zinc/02/76/17/206027617.db2.gz PSRNMQJBFSSTKM-UWVAXJGDSA-N 2 1 329.532 3.142 20 0 EGADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000155678137 206027621 /nfs/dbraw/zinc/02/76/21/206027621.db2.gz PSRNMQJBFSSTKM-UWVAXJGDSA-N 2 1 329.532 3.142 20 0 EGADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000264948718 247076110 /nfs/dbraw/zinc/07/61/10/247076110.db2.gz JJRZMHOUZZCTTN-UHFFFAOYSA-N 2 1 343.515 3.229 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000264948718 247076112 /nfs/dbraw/zinc/07/61/12/247076112.db2.gz JJRZMHOUZZCTTN-UHFFFAOYSA-N 2 1 343.515 3.229 20 0 EGADMP Cn1c2ccccc2nc1CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000265100030 247201880 /nfs/dbraw/zinc/20/18/80/247201880.db2.gz RRGIPWZSYWUWOX-UHFFFAOYSA-N 2 1 326.488 3.066 20 0 EGADMP CC1(C)[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]2CCO[C@@H]21 ZINC000161941373 206377864 /nfs/dbraw/zinc/37/78/64/206377864.db2.gz MPUYWCDFOQNCFJ-ZCNNSNEGSA-N 2 1 328.500 3.097 20 0 EGADMP CSc1cc2c(cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C)OCCO2 ZINC000266168005 248145208 /nfs/dbraw/zinc/14/52/08/248145208.db2.gz BDJDJGHIUAEYKW-ZDUSSCGKSA-N 2 1 347.484 3.111 20 0 EGADMP Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000377664239 169056340 /nfs/dbraw/zinc/05/63/40/169056340.db2.gz BWUCEDRNMHUMLF-FQEVSTJZSA-N 2 1 343.515 3.121 20 0 EGADMP c1cn(CCC[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000378445000 169122475 /nfs/dbraw/zinc/12/24/75/169122475.db2.gz PKZZSOOCDQPTCW-UHFFFAOYSA-N 2 1 338.499 3.261 20 0 EGADMP CC(C)COC[C@@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000176915235 207273666 /nfs/dbraw/zinc/27/36/66/207273666.db2.gz NHJFHSQOBHIQIU-GIVPXCGWSA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000176915235 207273670 /nfs/dbraw/zinc/27/36/70/207273670.db2.gz NHJFHSQOBHIQIU-GIVPXCGWSA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176915235 207273675 /nfs/dbraw/zinc/27/36/75/207273675.db2.gz NHJFHSQOBHIQIU-GIVPXCGWSA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176915235 207273680 /nfs/dbraw/zinc/27/36/80/207273680.db2.gz NHJFHSQOBHIQIU-GIVPXCGWSA-N 2 1 348.531 3.005 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2)[C@H](C)C1 ZINC000177343083 207324195 /nfs/dbraw/zinc/32/41/95/207324195.db2.gz MQPNNBMIWNRHRA-UWVAXJGDSA-N 2 1 334.504 3.483 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(SC(F)F)cc1 ZINC000268847653 252295597 /nfs/dbraw/zinc/29/55/97/252295597.db2.gz OWGIAIZWAWMWNE-OCCSQVGLSA-N 2 1 330.444 3.109 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)[C@H](C)C1 ZINC000268861267 252309697 /nfs/dbraw/zinc/30/96/97/252309697.db2.gz ZBZOXLIURKENGI-HIFRSBDPSA-N 2 1 344.425 3.222 20 0 EGADMP CC(C)(C)C[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268923129 255496255 /nfs/dbraw/zinc/49/62/55/255496255.db2.gz PJLXGPNNFVSPKK-LJQANCHMSA-N 2 1 336.495 3.219 20 0 EGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000183743332 533573580 /nfs/dbraw/zinc/57/35/80/533573580.db2.gz TTWPXBVSBKLMOG-HNNXBMFYSA-N 2 1 348.487 3.152 20 0 EGADMP c1cc2c(cc1[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)C1CC1)OCCO2 ZINC000246690922 141025767 /nfs/dbraw/zinc/02/57/67/141025767.db2.gz MVYIXPSPIFCIOI-ABSDTBQOSA-N 2 1 328.456 3.125 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338046768 141081029 /nfs/dbraw/zinc/08/10/29/141081029.db2.gz LDSONILYHZFZMH-LYYGHALDSA-N 2 1 343.515 3.199 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338046768 141081031 /nfs/dbraw/zinc/08/10/31/141081031.db2.gz LDSONILYHZFZMH-LYYGHALDSA-N 2 1 343.515 3.199 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338046768 141081033 /nfs/dbraw/zinc/08/10/33/141081033.db2.gz LDSONILYHZFZMH-LYYGHALDSA-N 2 1 343.515 3.199 20 0 EGADMP CCOCCC[N@H+]1CC[C@H](NC[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000359601411 141383193 /nfs/dbraw/zinc/38/31/93/141383193.db2.gz UZGVGHBYRPVBEI-SESVDKBCSA-N 2 1 347.547 3.016 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)N(C)C)[C@@H](C)C1 ZINC000359601411 141383195 /nfs/dbraw/zinc/38/31/95/141383195.db2.gz UZGVGHBYRPVBEI-SESVDKBCSA-N 2 1 347.547 3.016 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)N(C)C)[C@@H](C)C1 ZINC000359601411 141383198 /nfs/dbraw/zinc/38/31/98/141383198.db2.gz UZGVGHBYRPVBEI-SESVDKBCSA-N 2 1 347.547 3.016 20 0 EGADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000178209949 144066210 /nfs/dbraw/zinc/06/62/10/144066210.db2.gz NHMDBOBVVMQAHM-AUUYWEPGSA-N 2 1 341.430 3.449 20 0 EGADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000178209949 144066212 /nfs/dbraw/zinc/06/62/12/144066212.db2.gz NHMDBOBVVMQAHM-AUUYWEPGSA-N 2 1 341.430 3.449 20 0 EGADMP Oc1cc(F)cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000185513863 144114088 /nfs/dbraw/zinc/11/40/88/144114088.db2.gz RWYQZKHTVFHOPN-QGZVFWFLSA-N 2 1 328.431 3.186 20 0 EGADMP Oc1cc(F)cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000185513863 144114089 /nfs/dbraw/zinc/11/40/89/144114089.db2.gz RWYQZKHTVFHOPN-QGZVFWFLSA-N 2 1 328.431 3.186 20 0 EGADMP CC(C)CCn1cccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000344795940 144226317 /nfs/dbraw/zinc/22/63/17/144226317.db2.gz PYLUEOSZPZFXRZ-PMACEKPBSA-N 2 1 333.520 3.002 20 0 EGADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403299 144264159 /nfs/dbraw/zinc/26/41/59/144264159.db2.gz CQCRMFWRNYKIOT-LEWJYISDSA-N 2 1 329.532 3.315 20 0 EGADMP CN(CC[C@H]1CCCC[NH+]1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000351403299 144264160 /nfs/dbraw/zinc/26/41/60/144264160.db2.gz CQCRMFWRNYKIOT-LEWJYISDSA-N 2 1 329.532 3.315 20 0 EGADMP CN(CC[C@H]1CCCC[NH+]1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000351403299 144264161 /nfs/dbraw/zinc/26/41/61/144264161.db2.gz CQCRMFWRNYKIOT-LEWJYISDSA-N 2 1 329.532 3.315 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH+]1CCC(c2cccc3ccccc32)CC1)C1CC1 ZINC000351437512 144265422 /nfs/dbraw/zinc/26/54/22/144265422.db2.gz BYJSTZOGSUKVFH-HXUWFJFHSA-N 2 1 338.495 3.474 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC(c2cccc3ccccc32)CC1)C1CC1 ZINC000351437512 144265424 /nfs/dbraw/zinc/26/54/24/144265424.db2.gz BYJSTZOGSUKVFH-HXUWFJFHSA-N 2 1 338.495 3.474 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCSCC[C@H]2C)CC1 ZINC000361645787 144342495 /nfs/dbraw/zinc/34/24/95/144342495.db2.gz TVMNTWRGCQYWBB-QGZVFWFLSA-N 2 1 333.545 3.156 20 0 EGADMP FC(F)COCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000364263119 144393280 /nfs/dbraw/zinc/39/32/80/144393280.db2.gz CIZBURYWWWOMTK-UHFFFAOYSA-N 2 1 338.442 3.256 20 0 EGADMP C[N@@H+](CCCn1ccnc1)Cc1ccc(OCc2ccncc2)cc1 ZINC000341138891 155183188 /nfs/dbraw/zinc/18/31/88/155183188.db2.gz QWDVHTICXHIJCT-UHFFFAOYSA-N 2 1 336.439 3.379 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000120933993 296613391 /nfs/dbraw/zinc/61/33/91/296613391.db2.gz UBVMWUGKFLKCIV-ZCNNSNEGSA-N 2 1 326.484 3.198 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000341526747 155334411 /nfs/dbraw/zinc/33/44/11/155334411.db2.gz NHFBVVJNUZRKIA-LJQANCHMSA-N 2 1 329.488 3.136 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000341526747 155334416 /nfs/dbraw/zinc/33/44/16/155334416.db2.gz NHFBVVJNUZRKIA-LJQANCHMSA-N 2 1 329.488 3.136 20 0 EGADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(F)c(F)c1 ZINC000116397426 152057136 /nfs/dbraw/zinc/05/71/36/152057136.db2.gz TXOPIFYXZNLULZ-LRDDRELGSA-N 2 1 341.446 3.248 20 0 EGADMP COc1cccc(Cl)c1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000118448635 152141734 /nfs/dbraw/zinc/14/17/34/152141734.db2.gz BFLOVBLOAXJLAL-GASCZTMLSA-N 2 1 340.895 3.328 20 0 EGADMP CC(C)[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCC1 ZINC000119702797 152222841 /nfs/dbraw/zinc/22/28/41/152222841.db2.gz FNAYJGMQEQBVEF-UHFFFAOYSA-N 2 1 343.515 3.162 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OC)[C@H](C)C1 ZINC000119826632 152231555 /nfs/dbraw/zinc/23/15/55/152231555.db2.gz UFZGFCJUSPXJPX-MJGOQNOKSA-N 2 1 334.504 3.230 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OC)[C@H](C)C1 ZINC000119826632 152231559 /nfs/dbraw/zinc/23/15/59/152231559.db2.gz UFZGFCJUSPXJPX-MJGOQNOKSA-N 2 1 334.504 3.230 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000120278418 152263608 /nfs/dbraw/zinc/26/36/08/152263608.db2.gz SHRKSKFMOQTBQQ-IYBDPMFKSA-N 2 1 347.528 3.047 20 0 EGADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000121430778 152350587 /nfs/dbraw/zinc/35/05/87/152350587.db2.gz SRWZEIJXSZGEHK-KXBFYZLASA-N 2 1 333.451 3.204 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1ccc(Cl)c(F)c1 ZINC000192122588 153242649 /nfs/dbraw/zinc/24/26/49/153242649.db2.gz UTZBMEQLQRXCFH-UHFFFAOYSA-N 2 1 325.815 3.385 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1ccc(Cl)c(F)c1 ZINC000192122588 153242654 /nfs/dbraw/zinc/24/26/54/153242654.db2.gz UTZBMEQLQRXCFH-UHFFFAOYSA-N 2 1 325.815 3.385 20 0 EGADMP CC[NH+](CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000192655241 153253258 /nfs/dbraw/zinc/25/32/58/153253258.db2.gz SJFVIYSIFAHMPA-VTHDOGFWSA-N 2 1 329.532 3.154 20 0 EGADMP CCOc1cc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC ZINC000192881239 153263506 /nfs/dbraw/zinc/26/35/06/153263506.db2.gz MDKNHCDTOARECK-AYHJJNSGSA-N 2 1 332.488 3.241 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000192922449 153265835 /nfs/dbraw/zinc/26/58/35/153265835.db2.gz XANARUDUJVICTG-SFHVURJKSA-N 2 1 328.431 3.446 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C12CCCC2 ZINC000181851580 286382949 /nfs/dbraw/zinc/38/29/49/286382949.db2.gz KGKHDVUWTMCWRF-RBUKOAKNSA-N 2 1 338.536 3.203 20 0 EGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c(Cl)c1 ZINC000414856130 309105734 /nfs/dbraw/zinc/10/57/34/309105734.db2.gz YHYCLOGCEKFBTO-ZIAGYGMSSA-N 2 1 325.884 3.329 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)cn1 ZINC000305803657 154129981 /nfs/dbraw/zinc/12/99/81/154129981.db2.gz FOYZIARBIYWHAP-AQNXPRMDSA-N 2 1 349.494 3.275 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(SC)cc1OC ZINC000322855786 154170641 /nfs/dbraw/zinc/17/06/41/154170641.db2.gz RUOAPRCFPMYZGR-HUUCEWRRSA-N 2 1 336.501 3.142 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(SC)cc1OC ZINC000322855786 154170644 /nfs/dbraw/zinc/17/06/44/154170644.db2.gz RUOAPRCFPMYZGR-HUUCEWRRSA-N 2 1 336.501 3.142 20 0 EGADMP [NH3+]CCCOC1CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000325234054 154178560 /nfs/dbraw/zinc/17/85/60/154178560.db2.gz PSKOHCNNCGKWFO-UHFFFAOYSA-N 2 1 349.862 3.325 20 0 EGADMP c1nc([C@H]2CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)n2c1CCCC2 ZINC000337409468 154338119 /nfs/dbraw/zinc/33/81/19/154338119.db2.gz WDEXGUOQQJKAGK-HNNXBMFYSA-N 2 1 335.455 3.475 20 0 EGADMP c1nc([C@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)n2c1CCCC2 ZINC000337409468 154338124 /nfs/dbraw/zinc/33/81/24/154338124.db2.gz WDEXGUOQQJKAGK-HNNXBMFYSA-N 2 1 335.455 3.475 20 0 EGADMP FC(F)(F)c1csc([C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000347001254 156238103 /nfs/dbraw/zinc/23/81/03/156238103.db2.gz GXAZSFVSBMYEGB-GFCCVEGCSA-N 2 1 333.423 3.341 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347016748 156249610 /nfs/dbraw/zinc/24/96/10/156249610.db2.gz KBYIFKLLAANZFV-XJKSGUPXSA-N 2 1 330.451 3.187 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000349056782 156336579 /nfs/dbraw/zinc/33/65/79/156336579.db2.gz LVWXJRQXXYYXIH-VQTJNVASSA-N 2 1 343.515 3.123 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(C(C)C)s1 ZINC000349064730 156341450 /nfs/dbraw/zinc/34/14/50/156341450.db2.gz VWWDSCHKQSBPSN-MRXNPFEDSA-N 2 1 338.565 3.114 20 0 EGADMP COc1ccc2nc(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)sc2c1 ZINC000349158193 156371712 /nfs/dbraw/zinc/37/17/12/156371712.db2.gz ZRBFGYZIHQNVME-HNNXBMFYSA-N 2 1 345.512 3.469 20 0 EGADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000365421163 157118621 /nfs/dbraw/zinc/11/86/21/157118621.db2.gz ISRWSOVWDDHYGD-NJYVYQBISA-N 2 1 346.515 3.071 20 0 EGADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000365421163 157118622 /nfs/dbraw/zinc/11/86/22/157118622.db2.gz ISRWSOVWDDHYGD-NJYVYQBISA-N 2 1 346.515 3.071 20 0 EGADMP CCCCCC[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365500673 157147638 /nfs/dbraw/zinc/14/76/38/157147638.db2.gz DEAIUMGBGAMLSS-HKUYNNGSSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[C@H](C)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365500673 157147640 /nfs/dbraw/zinc/14/76/40/157147640.db2.gz DEAIUMGBGAMLSS-HKUYNNGSSA-N 2 1 337.552 3.220 20 0 EGADMP CSc1ccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000354033486 165951316 /nfs/dbraw/zinc/95/13/16/165951316.db2.gz LXUFEHBVPILXBZ-UHFFFAOYSA-N 2 1 347.572 3.399 20 0 EGADMP COCCOc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093563719 162015336 /nfs/dbraw/zinc/01/53/36/162015336.db2.gz RHOZQNGVJXBPNZ-IBGZPJMESA-N 2 1 332.488 3.162 20 0 EGADMP COCCOc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093563719 162015339 /nfs/dbraw/zinc/01/53/39/162015339.db2.gz RHOZQNGVJXBPNZ-IBGZPJMESA-N 2 1 332.488 3.162 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000130362221 162365045 /nfs/dbraw/zinc/36/50/45/162365045.db2.gz KJUYBERLXLQDDE-KRWDZBQOSA-N 2 1 331.504 3.133 20 0 EGADMP CCc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)o1 ZINC000248445388 163004922 /nfs/dbraw/zinc/00/49/22/163004922.db2.gz MKDAACQYRXKHIZ-MAUKXSAKSA-N 2 1 328.456 3.259 20 0 EGADMP CCc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)o1 ZINC000248445388 163004926 /nfs/dbraw/zinc/00/49/26/163004926.db2.gz MKDAACQYRXKHIZ-MAUKXSAKSA-N 2 1 328.456 3.259 20 0 EGADMP Cc1cncc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000248689761 163028289 /nfs/dbraw/zinc/02/82/89/163028289.db2.gz ALDAYYFXJPBEDL-UWJYYQICSA-N 2 1 339.483 3.198 20 0 EGADMP CC(C)c1ccc([C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000338287864 163208697 /nfs/dbraw/zinc/20/86/97/163208697.db2.gz UVNFXOTYTNBCFK-HXUWFJFHSA-N 2 1 343.515 3.111 20 0 EGADMP CC(C)c1ccc([C@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000338287864 163208698 /nfs/dbraw/zinc/20/86/98/163208698.db2.gz UVNFXOTYTNBCFK-HXUWFJFHSA-N 2 1 343.515 3.111 20 0 EGADMP CC(C)OCC[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338327945 163210952 /nfs/dbraw/zinc/21/09/52/163210952.db2.gz PREYJYZKUKKYQK-UXHICEINSA-N 2 1 348.531 3.053 20 0 EGADMP CC(C)OCC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338327945 163210954 /nfs/dbraw/zinc/21/09/54/163210954.db2.gz PREYJYZKUKKYQK-UXHICEINSA-N 2 1 348.531 3.053 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C ZINC000338573610 163277908 /nfs/dbraw/zinc/27/79/08/163277908.db2.gz KALXKHOVARDKIH-YLJYHZDGSA-N 2 1 343.515 3.227 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)cc1 ZINC000343808522 164039717 /nfs/dbraw/zinc/03/97/17/164039717.db2.gz BMTRLTUILOQVLA-OXQOHEQNSA-N 2 1 343.515 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000343808522 164039718 /nfs/dbraw/zinc/03/97/18/164039718.db2.gz BMTRLTUILOQVLA-OXQOHEQNSA-N 2 1 343.515 3.131 20 0 EGADMP CCC1(CC)[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1OC ZINC000344088037 164101006 /nfs/dbraw/zinc/10/10/06/164101006.db2.gz NCRFNHBNDQHDGE-WOJBJXKFSA-N 2 1 346.515 3.202 20 0 EGADMP O[C@]1(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000344506060 164185984 /nfs/dbraw/zinc/18/59/84/164185984.db2.gz AGZKGNAZKZOCME-HKBOAZHASA-N 2 1 328.500 3.182 20 0 EGADMP O[C@]1(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344506060 164185986 /nfs/dbraw/zinc/18/59/86/164185986.db2.gz AGZKGNAZKZOCME-HKBOAZHASA-N 2 1 328.500 3.182 20 0 EGADMP CCN(CC)[C@@H](CNC(=O)Cc1[nH]cnc1C)c1ccccc1Cl ZINC000346027116 164320722 /nfs/dbraw/zinc/32/07/22/164320722.db2.gz DZIDVIAGSJEOLR-KRWDZBQOSA-N 2 1 348.878 3.113 20 0 EGADMP CCC[N@H+](CCn1cc[nH+]c1C)CC(=O)Nc1ccc(Cl)cc1 ZINC000346313406 164367891 /nfs/dbraw/zinc/36/78/91/164367891.db2.gz QBHURWQXMRJOIY-UHFFFAOYSA-N 2 1 334.851 3.196 20 0 EGADMP CCC[N@@H+](CCn1cc[nH+]c1C)CC(=O)Nc1ccc(Cl)cc1 ZINC000346313406 164367893 /nfs/dbraw/zinc/36/78/93/164367893.db2.gz QBHURWQXMRJOIY-UHFFFAOYSA-N 2 1 334.851 3.196 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000352051535 165211896 /nfs/dbraw/zinc/21/18/96/165211896.db2.gz CMXXUCNAWMVDPO-HOJAQTOUSA-N 2 1 345.531 3.322 20 0 EGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000355121370 166112241 /nfs/dbraw/zinc/11/22/41/166112241.db2.gz IFGDIEHYCLVWHS-HBMCJLEFSA-N 2 1 346.515 3.072 20 0 EGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000355121370 166112245 /nfs/dbraw/zinc/11/22/45/166112245.db2.gz IFGDIEHYCLVWHS-HBMCJLEFSA-N 2 1 346.515 3.072 20 0 EGADMP CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000355129486 166114251 /nfs/dbraw/zinc/11/42/51/166114251.db2.gz YAUGMFFMZRWQDK-AZUAARDMSA-N 2 1 343.515 3.133 20 0 EGADMP CC[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000355356905 166173085 /nfs/dbraw/zinc/17/30/85/166173085.db2.gz NBMXVCGYXPGKCH-MHJFOBGBSA-N 2 1 345.531 3.134 20 0 EGADMP c1c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000359280877 167113651 /nfs/dbraw/zinc/11/36/51/167113651.db2.gz QNQSKTDJWABGLI-OALUTQOASA-N 2 1 344.462 3.191 20 0 EGADMP C[C@@H](NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000359279668 167114190 /nfs/dbraw/zinc/11/41/90/167114190.db2.gz PFFGYBUSXXJPGW-CZUORRHYSA-N 2 1 339.911 3.035 20 0 EGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccco1 ZINC000359567344 167196371 /nfs/dbraw/zinc/19/63/71/167196371.db2.gz WZZDMWGTYVZIHT-SZMVWBNQSA-N 2 1 347.503 3.232 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2COC)[C@@H](C)C1 ZINC000359673611 167207702 /nfs/dbraw/zinc/20/77/02/167207702.db2.gz JCQXYUSZCBJAPZ-PXNSSMCTSA-N 2 1 334.504 3.060 20 0 EGADMP C[C@H](CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000365792282 168044057 /nfs/dbraw/zinc/04/40/57/168044057.db2.gz BLSXPSSEEUZWJR-SVFBPWRDSA-N 2 1 329.532 3.138 20 0 EGADMP Clc1ccc2c(c1)C[C@H]([NH2+]CC1([NH+]3CCCCC3)CCOCC1)C2 ZINC000367402855 168221308 /nfs/dbraw/zinc/22/13/08/168221308.db2.gz MGAIZZGOTRBFQR-LJQANCHMSA-N 2 1 348.918 3.432 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367904965 168282299 /nfs/dbraw/zinc/28/22/99/168282299.db2.gz SPNVIDQDAJCSKR-WJMWBRGCSA-N 2 1 330.516 3.285 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ccc2c(c1)ncn2C ZINC000367952967 168287794 /nfs/dbraw/zinc/28/77/94/168287794.db2.gz XJQNTUBSNRJAEY-CRAIPNDOSA-N 2 1 335.455 3.291 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000367952967 168287798 /nfs/dbraw/zinc/28/77/98/168287798.db2.gz XJQNTUBSNRJAEY-CRAIPNDOSA-N 2 1 335.455 3.291 20 0 EGADMP CC[C@@H](C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000180087887 265395763 /nfs/dbraw/zinc/39/57/63/265395763.db2.gz AZWGVWSWPBNYCN-JCYILVPMSA-N 2 1 339.524 3.286 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187962215 265638620 /nfs/dbraw/zinc/63/86/20/265638620.db2.gz SXMSZNUPSMPGGJ-FGZHOGPDSA-N 2 1 343.559 3.360 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000226564177 266197911 /nfs/dbraw/zinc/19/79/11/266197911.db2.gz XHHLXYODBGMHPS-UHFFFAOYSA-N 2 1 327.513 3.142 20 0 EGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000227260276 266199591 /nfs/dbraw/zinc/19/95/91/266199591.db2.gz UDIWRUBCOMIFME-CVEARBPZSA-N 2 1 327.513 3.096 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC2([NH3+])CCCCC2)cc1)C(C)C ZINC000236994505 266221845 /nfs/dbraw/zinc/22/18/45/266221845.db2.gz HZDYCLYDDPCDOF-UHFFFAOYSA-N 2 1 331.504 3.308 20 0 EGADMP C[N@H+](CCc1ccc(Br)cc1)CC[C@@H]1CCC[NH2+]C1 ZINC000259009667 266264325 /nfs/dbraw/zinc/26/43/25/266264325.db2.gz MXQBTJFKJJIOLI-HNNXBMFYSA-N 2 1 325.294 3.313 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000266148265 266273453 /nfs/dbraw/zinc/27/34/53/266273453.db2.gz MWRBJCCSRUSKSA-HXUWFJFHSA-N 2 1 345.531 3.475 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3OC)[C@H](C)C1 ZINC000268880265 266285298 /nfs/dbraw/zinc/28/52/98/266285298.db2.gz HYOODXOECHCIQK-UXPWSPDFSA-N 2 1 346.515 3.409 20 0 EGADMP CCOc1ccccc1OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000269618439 266328555 /nfs/dbraw/zinc/32/85/55/266328555.db2.gz DDBFVNLFVYFPRH-MJGOQNOKSA-N 2 1 344.499 3.413 20 0 EGADMP CCOc1ccccc1OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000269618439 266328558 /nfs/dbraw/zinc/32/85/58/266328558.db2.gz DDBFVNLFVYFPRH-MJGOQNOKSA-N 2 1 344.499 3.413 20 0 EGADMP CCOc1ccccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000269618439 266328560 /nfs/dbraw/zinc/32/85/60/266328560.db2.gz DDBFVNLFVYFPRH-MJGOQNOKSA-N 2 1 344.499 3.413 20 0 EGADMP CCOc1ccccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269618439 266328562 /nfs/dbraw/zinc/32/85/62/266328562.db2.gz DDBFVNLFVYFPRH-MJGOQNOKSA-N 2 1 344.499 3.413 20 0 EGADMP CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)[nH]1 ZINC000271419401 266658656 /nfs/dbraw/zinc/65/86/56/266658656.db2.gz BPSAEHHHKDUHRY-LSDHHAIUSA-N 2 1 345.491 3.280 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCCC(=O)OCc1ccccc1 ZINC000273650446 267075818 /nfs/dbraw/zinc/07/58/18/267075818.db2.gz WJCCMLVZQNVRPH-UHFFFAOYSA-N 2 1 341.455 3.151 20 0 EGADMP Cc1ccc2c(C)cc(N3CCC([N@@H+](C)CCCO)CC3)nc2c1 ZINC000274013986 267165145 /nfs/dbraw/zinc/16/51/45/267165145.db2.gz CRTJZGSPXQBAOL-UHFFFAOYSA-N 2 1 327.472 3.135 20 0 EGADMP Cc1ccc2c(C)cc(N3CCC([N@H+](C)CCCO)CC3)[nH+]c2c1 ZINC000274013986 267165148 /nfs/dbraw/zinc/16/51/48/267165148.db2.gz CRTJZGSPXQBAOL-UHFFFAOYSA-N 2 1 327.472 3.135 20 0 EGADMP Cc1ccc2c(C)cc(N3CCC([N@@H+](C)CCCO)CC3)[nH+]c2c1 ZINC000274013986 267165150 /nfs/dbraw/zinc/16/51/50/267165150.db2.gz CRTJZGSPXQBAOL-UHFFFAOYSA-N 2 1 327.472 3.135 20 0 EGADMP CC(C)[C@H](O)C1(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274744086 267279695 /nfs/dbraw/zinc/27/96/95/267279695.db2.gz FXGVAQSKDGBSBH-HOJAQTOUSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000274804373 267290577 /nfs/dbraw/zinc/29/05/77/267290577.db2.gz PFRWMPYNHHLHKG-QGZVFWFLSA-N 2 1 343.515 3.340 20 0 EGADMP Cc1ccc(C)c(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000275544397 267378502 /nfs/dbraw/zinc/37/85/02/267378502.db2.gz DRZXXNCLKMQOBS-IBGZPJMESA-N 2 1 338.499 3.181 20 0 EGADMP Cc1ccc(C)c(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000275544397 267378507 /nfs/dbraw/zinc/37/85/07/267378507.db2.gz DRZXXNCLKMQOBS-IBGZPJMESA-N 2 1 338.499 3.181 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277359578 267770891 /nfs/dbraw/zinc/77/08/91/267770891.db2.gz FDYHYZVFCCZIHP-SFHVURJKSA-N 2 1 326.488 3.405 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277359578 267770895 /nfs/dbraw/zinc/77/08/95/267770895.db2.gz FDYHYZVFCCZIHP-SFHVURJKSA-N 2 1 326.488 3.405 20 0 EGADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000353513267 274210883 /nfs/dbraw/zinc/21/08/83/274210883.db2.gz FIIJEZXVHOOTDE-MAUKXSAKSA-N 2 1 340.458 3.112 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)nnn1-c1cccc(Cl)c1 ZINC000271883847 275238466 /nfs/dbraw/zinc/23/84/66/275238466.db2.gz QCQVKPPTLODQPZ-CYBMUJFWSA-N 2 1 345.878 3.142 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)nnn1-c1cccc(Cl)c1 ZINC000271883847 275238468 /nfs/dbraw/zinc/23/84/68/275238468.db2.gz QCQVKPPTLODQPZ-CYBMUJFWSA-N 2 1 345.878 3.142 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(OC(F)F)c1 ZINC000278742839 275270762 /nfs/dbraw/zinc/27/07/62/275270762.db2.gz WTSDZNBWFZLESL-GJZGRUSLSA-N 2 1 342.430 3.440 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(OC(F)F)c1 ZINC000278742839 275270763 /nfs/dbraw/zinc/27/07/63/275270763.db2.gz WTSDZNBWFZLESL-GJZGRUSLSA-N 2 1 342.430 3.440 20 0 EGADMP COc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)nc1 ZINC000278847277 275280415 /nfs/dbraw/zinc/28/04/15/275280415.db2.gz JWZBOKWYTXXUJI-UHFFFAOYSA-N 2 1 326.444 3.003 20 0 EGADMP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH+]3C3CC3)c2C1 ZINC000279935467 275378270 /nfs/dbraw/zinc/37/82/70/275378270.db2.gz REPDJTYQHCQVJA-IBGZPJMESA-N 2 1 327.472 3.224 20 0 EGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH+]3C3CC3)c2C1 ZINC000279935467 275378272 /nfs/dbraw/zinc/37/82/72/275378272.db2.gz REPDJTYQHCQVJA-IBGZPJMESA-N 2 1 327.472 3.224 20 0 EGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)c2C1 ZINC000279935467 275378274 /nfs/dbraw/zinc/37/82/74/275378274.db2.gz REPDJTYQHCQVJA-IBGZPJMESA-N 2 1 327.472 3.224 20 0 EGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)c2C1 ZINC000279935467 275378275 /nfs/dbraw/zinc/37/82/75/275378275.db2.gz REPDJTYQHCQVJA-IBGZPJMESA-N 2 1 327.472 3.224 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000283825635 275754959 /nfs/dbraw/zinc/75/49/59/275754959.db2.gz GCMKILYFXRKCIO-UHFFFAOYSA-N 2 1 331.313 3.409 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000353985578 276008912 /nfs/dbraw/zinc/00/89/12/276008912.db2.gz DAJNFATYJSQHIS-BQIYRTECSA-N 2 1 341.499 3.283 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000353985578 276008914 /nfs/dbraw/zinc/00/89/14/276008914.db2.gz DAJNFATYJSQHIS-BQIYRTECSA-N 2 1 341.499 3.283 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCc2ncc[nH]2)cc1 ZINC000287121799 276086484 /nfs/dbraw/zinc/08/64/84/276086484.db2.gz KKRLADPQAVQAPG-OAHLLOKOSA-N 2 1 326.444 3.355 20 0 EGADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000287351014 276110990 /nfs/dbraw/zinc/11/09/90/276110990.db2.gz GULXBPACMPALBV-ZSYZGHEHSA-N 2 1 342.527 3.428 20 0 EGADMP C[C@H](O)CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000287680714 276146770 /nfs/dbraw/zinc/14/67/70/276146770.db2.gz WFKXUXRXYRZJCS-ZIBCJSCZSA-N 2 1 330.516 3.428 20 0 EGADMP O[C@@H](Cc1cccc(Cl)c1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000287925511 276169645 /nfs/dbraw/zinc/16/96/45/276169645.db2.gz WLIGLKZDEWJLMM-OALUTQOASA-N 2 1 336.907 3.194 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000358455262 276194990 /nfs/dbraw/zinc/19/49/90/276194990.db2.gz YCKZSQDAEMDJHF-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCN1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000343468114 276253429 /nfs/dbraw/zinc/25/34/29/276253429.db2.gz HDHXPQRDRFHNDK-LQWHRVPQSA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@H+]1C[C@H](NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000343468114 276253430 /nfs/dbraw/zinc/25/34/30/276253430.db2.gz HDHXPQRDRFHNDK-LQWHRVPQSA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@@H+]1C[C@H](NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000343468114 276253433 /nfs/dbraw/zinc/25/34/33/276253433.db2.gz HDHXPQRDRFHNDK-LQWHRVPQSA-N 2 1 329.532 3.348 20 0 EGADMP CC[NH+]1C[C@H](NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000343468114 276253434 /nfs/dbraw/zinc/25/34/34/276253434.db2.gz HDHXPQRDRFHNDK-LQWHRVPQSA-N 2 1 329.532 3.348 20 0 EGADMP CC[NH+]1C[C@H](NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000343468114 276253436 /nfs/dbraw/zinc/25/34/36/276253436.db2.gz HDHXPQRDRFHNDK-LQWHRVPQSA-N 2 1 329.532 3.348 20 0 EGADMP CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367202460 276285459 /nfs/dbraw/zinc/28/54/59/276285459.db2.gz ZXRAMXUJFTYXTI-GOSISDBHSA-N 2 1 330.472 3.099 20 0 EGADMP CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367202460 276285460 /nfs/dbraw/zinc/28/54/60/276285460.db2.gz ZXRAMXUJFTYXTI-GOSISDBHSA-N 2 1 330.472 3.099 20 0 EGADMP CCSc1cccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000289377879 276330259 /nfs/dbraw/zinc/33/02/59/276330259.db2.gz CAAZIAYOIQNFBS-UHFFFAOYSA-N 2 1 335.561 3.256 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)CCCO1 ZINC000289435770 276338792 /nfs/dbraw/zinc/33/87/92/276338792.db2.gz FIZVGGSYGATZJK-CYBMUJFWSA-N 2 1 346.393 3.002 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)CCCO1 ZINC000289435770 276338794 /nfs/dbraw/zinc/33/87/94/276338794.db2.gz FIZVGGSYGATZJK-CYBMUJFWSA-N 2 1 346.393 3.002 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000289461883 276342795 /nfs/dbraw/zinc/34/27/95/276342795.db2.gz OLYBGTOPSHDCIZ-UHFFFAOYSA-N 2 1 345.462 3.155 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2nccc3ccccc32)CC1 ZINC000289533498 276354154 /nfs/dbraw/zinc/35/41/54/276354154.db2.gz BIBWGJQKGRZTNV-INIZCTEOSA-N 2 1 327.472 3.386 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000290079551 276443565 /nfs/dbraw/zinc/44/35/65/276443565.db2.gz GWCBPVFNXADHIX-LJQANCHMSA-N 2 1 325.456 3.265 20 0 EGADMP C[C@@H](C[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2)C[NH+](C)C ZINC000291755397 276686312 /nfs/dbraw/zinc/68/63/12/276686312.db2.gz QSAGCYAMCFIMNM-HNNXBMFYSA-N 2 1 347.503 3.272 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000347074805 277283311 /nfs/dbraw/zinc/28/33/11/277283311.db2.gz UCXADOPLPQLOTE-QGZVFWFLSA-N 2 1 326.488 3.427 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000347074805 277283313 /nfs/dbraw/zinc/28/33/13/277283313.db2.gz UCXADOPLPQLOTE-QGZVFWFLSA-N 2 1 326.488 3.427 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)CC3 ZINC000123048550 277941017 /nfs/dbraw/zinc/94/10/17/277941017.db2.gz JXTROVFLKSZCPK-HNNXBMFYSA-N 2 1 339.483 3.250 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c2ccccc2C1 ZINC000361052199 278056521 /nfs/dbraw/zinc/05/65/21/278056521.db2.gz MHYQASXECDQRGA-NQIIRXRSSA-N 2 1 343.515 3.190 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000119659858 278335490 /nfs/dbraw/zinc/33/54/90/278335490.db2.gz PYENTWCZMMKBFZ-CYBMUJFWSA-N 2 1 327.472 3.194 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)C[NH+]1CCCCCC1)c1ccccc1 ZINC000359314892 279043100 /nfs/dbraw/zinc/04/31/00/279043100.db2.gz DFZQBHHTXWTXPF-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H](C)C[NH+]1CCCCCC1)c1ccccc1 ZINC000359314892 279043103 /nfs/dbraw/zinc/04/31/03/279043103.db2.gz DFZQBHHTXWTXPF-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346816669 279182568 /nfs/dbraw/zinc/18/25/68/279182568.db2.gz FAQWFBWLOHARCS-YSSFQJQWSA-N 2 1 342.462 3.187 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000236654907 279384248 /nfs/dbraw/zinc/38/42/48/279384248.db2.gz BWRHKZVCYLWRIJ-QGZVFWFLSA-N 2 1 345.531 3.169 20 0 EGADMP CC1(C)CN(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCCCC2)CCO1 ZINC000372205857 281230173 /nfs/dbraw/zinc/23/01/73/281230173.db2.gz XVIIVUKBDJTASW-MOPGFXCFSA-N 2 1 349.563 3.017 20 0 EGADMP CC1(C)C[N@@H+](C2(CN[C@@H]3CC[NH+]4CCC[C@H]4C3)CCCCC2)CCO1 ZINC000372205857 281230174 /nfs/dbraw/zinc/23/01/74/281230174.db2.gz XVIIVUKBDJTASW-MOPGFXCFSA-N 2 1 349.563 3.017 20 0 EGADMP CC1(C)C[N@H+](C2(CN[C@@H]3CC[NH+]4CCC[C@H]4C3)CCCCC2)CCO1 ZINC000372205857 281230176 /nfs/dbraw/zinc/23/01/76/281230176.db2.gz XVIIVUKBDJTASW-MOPGFXCFSA-N 2 1 349.563 3.017 20 0 EGADMP CC1(C)C[NH+](C2(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCCCC2)CCO1 ZINC000372205857 281230178 /nfs/dbraw/zinc/23/01/78/281230178.db2.gz XVIIVUKBDJTASW-MOPGFXCFSA-N 2 1 349.563 3.017 20 0 EGADMP CC1(C)C[NH+](C2(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)CCCCC2)CCO1 ZINC000372205857 281230180 /nfs/dbraw/zinc/23/01/80/281230180.db2.gz XVIIVUKBDJTASW-MOPGFXCFSA-N 2 1 349.563 3.017 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(OC)cc2C)CC1 ZINC000414075749 309059370 /nfs/dbraw/zinc/05/93/70/309059370.db2.gz XRVGTROYKXIKOF-SFHVURJKSA-N 2 1 333.520 3.072 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cc2n(n1)CCC2 ZINC000414082114 309060010 /nfs/dbraw/zinc/06/00/10/309060010.db2.gz UWZXAUZEAQDPKO-MRXNPFEDSA-N 2 1 342.487 3.011 20 0 EGADMP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000414133921 309062653 /nfs/dbraw/zinc/06/26/53/309062653.db2.gz BVCKWQFEPOPGAQ-FDKIHUSFSA-N 2 1 328.500 3.180 20 0 EGADMP Cn1ccnc1[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000414175651 309064806 /nfs/dbraw/zinc/06/48/06/309064806.db2.gz HOEIKJUQSUYYKB-QAPCUYQASA-N 2 1 346.906 3.484 20 0 EGADMP Cn1ccnc1[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000414175651 309064807 /nfs/dbraw/zinc/06/48/07/309064807.db2.gz HOEIKJUQSUYYKB-QAPCUYQASA-N 2 1 346.906 3.484 20 0 EGADMP Cn1ccnc1[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000414175651 309064808 /nfs/dbraw/zinc/06/48/08/309064808.db2.gz HOEIKJUQSUYYKB-QAPCUYQASA-N 2 1 346.906 3.484 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000414175926 309064951 /nfs/dbraw/zinc/06/49/51/309064951.db2.gz ISZXCTKGJIRMKA-QZTJIDSGSA-N 3 1 333.520 3.010 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ncc(Br)s1 ZINC000414179051 309065033 /nfs/dbraw/zinc/06/50/33/309065033.db2.gz KZWPQZWCMNTBOZ-MNOVXSKESA-N 2 1 332.311 3.288 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000414191393 309065896 /nfs/dbraw/zinc/06/58/96/309065896.db2.gz SLDMLVBHRKWWSE-LSDHHAIUSA-N 2 1 329.488 3.299 20 0 EGADMP COC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1F ZINC000414193307 309066112 /nfs/dbraw/zinc/06/61/12/309066112.db2.gz TVEJSMVKTOWETC-BBRMVZONSA-N 2 1 328.859 3.488 20 0 EGADMP Cc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nn1C ZINC000414369685 309075627 /nfs/dbraw/zinc/07/56/27/309075627.db2.gz VEXRMJAUWIAQRZ-IEBWSBKVSA-N 2 1 326.488 3.119 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000253335849 308033316 /nfs/dbraw/zinc/03/33/16/308033316.db2.gz ATAOPHHHPBUDBN-KSZLIROESA-N 2 1 348.535 3.241 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000253335849 308033318 /nfs/dbraw/zinc/03/33/18/308033318.db2.gz ATAOPHHHPBUDBN-KSZLIROESA-N 2 1 348.535 3.241 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000414450671 309080879 /nfs/dbraw/zinc/08/08/79/309080879.db2.gz HCDHCWBHNWSTFN-FQEVSTJZSA-N 2 1 342.462 3.238 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)c1 ZINC000292897029 308077418 /nfs/dbraw/zinc/07/74/18/308077418.db2.gz GFZAONNFTQNZHV-FXAWDEMLSA-N 2 1 329.488 3.048 20 0 EGADMP C[NH+](C)C[C@@H]1CCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000293024009 308091227 /nfs/dbraw/zinc/09/12/27/308091227.db2.gz JKIPVBIFMZWEBY-LBPRGKRZSA-N 2 1 334.261 3.385 20 0 EGADMP CSc1cccc(NC(=O)[C@H](C)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293087784 308098290 /nfs/dbraw/zinc/09/82/90/308098290.db2.gz WSZUXBBHGRUGHE-KXBFYZLASA-N 2 1 347.528 3.153 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000294713832 308248915 /nfs/dbraw/zinc/24/89/15/308248915.db2.gz BMSDXZDBJBQVDH-UXHICEINSA-N 2 1 328.500 3.242 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@H](c2ccc(SC)cc2)[NH+](C)C)[C@H](C)C1 ZINC000294902529 308269523 /nfs/dbraw/zinc/26/95/23/308269523.db2.gz FPCSTIGSCLRFRE-AYOQOUSVSA-N 2 1 335.561 3.331 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(SC)cc2)N(C)C)[C@H](C)C1 ZINC000294902529 308269524 /nfs/dbraw/zinc/26/95/24/308269524.db2.gz FPCSTIGSCLRFRE-AYOQOUSVSA-N 2 1 335.561 3.331 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(SC)cc2)N(C)C)[C@H](C)C1 ZINC000294902529 308269526 /nfs/dbraw/zinc/26/95/26/308269526.db2.gz FPCSTIGSCLRFRE-AYOQOUSVSA-N 2 1 335.561 3.331 20 0 EGADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295136419 308295483 /nfs/dbraw/zinc/29/54/83/308295483.db2.gz ZBWHVVFTWJKNIQ-CCNLRDMRSA-N 2 1 329.488 3.181 20 0 EGADMP CC(C)C[C@@H](C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000295356912 308318084 /nfs/dbraw/zinc/31/80/84/308318084.db2.gz RETZUJNVZFCMER-CTNGQTDRSA-N 2 1 329.532 3.313 20 0 EGADMP COc1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414715014 309096942 /nfs/dbraw/zinc/09/69/42/309096942.db2.gz WYOYRXUZSLVKAZ-LMMKCTJWSA-N 2 1 332.488 3.064 20 0 EGADMP C[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000414714948 309096950 /nfs/dbraw/zinc/09/69/50/309096950.db2.gz QTKJXZZEPQOTLC-QGZVFWFLSA-N 2 1 344.503 3.277 20 0 EGADMP Fc1cc(N2CC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)ccc1Cl ZINC000297359070 308526102 /nfs/dbraw/zinc/52/61/02/308526102.db2.gz FRFLGDUVUOAVMB-AWEZNQCLSA-N 2 1 337.870 3.274 20 0 EGADMP CC(C)(C)[NH2+]CCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000414752425 309098880 /nfs/dbraw/zinc/09/88/80/309098880.db2.gz KQCQIHNPCNTJTP-UHFFFAOYSA-N 2 1 329.532 3.363 20 0 EGADMP c1cc(COc2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)ccn1 ZINC000414767057 309099565 /nfs/dbraw/zinc/09/95/65/309099565.db2.gz JFADSBYGRXTMJP-BGYRXZFFSA-N 2 1 337.467 3.092 20 0 EGADMP c1nc(-c2ccncc2)sc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772238 309099920 /nfs/dbraw/zinc/09/99/20/309099920.db2.gz BMBPRWKBDIEHEN-JKSUJKDBSA-N 2 1 328.485 3.027 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2c(F)cccc2Cl)CC12CCOCC2 ZINC000414773155 309099947 /nfs/dbraw/zinc/09/99/47/309099947.db2.gz DBODIVAEEYSQDU-CQSZACIVSA-N 2 1 340.870 3.099 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1OC(C)C ZINC000414779514 309100603 /nfs/dbraw/zinc/10/06/03/309100603.db2.gz KGUMXUYUKKHGEP-ROUUACIJSA-N 2 1 332.488 3.304 20 0 EGADMP Fc1cccc(Br)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414783658 309100906 /nfs/dbraw/zinc/10/09/06/309100906.db2.gz QHBADPHBHJEGOF-STQMWFEESA-N 2 1 341.268 3.410 20 0 EGADMP CCOc1c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)nn1CC(C)C ZINC000414785395 309101226 /nfs/dbraw/zinc/10/12/26/309101226.db2.gz SOVRJDJCPJNBAE-QZTJIDSGSA-N 2 1 348.535 3.068 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)ccc1OCc1ccc(F)cc1 ZINC000414789834 309101469 /nfs/dbraw/zinc/10/14/69/309101469.db2.gz FVGQFCDFQOKYDK-GOSISDBHSA-N 2 1 346.446 3.486 20 0 EGADMP CC(C)CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414796881 309102130 /nfs/dbraw/zinc/10/21/30/309102130.db2.gz XTYKEASRPYWASX-LJQANCHMSA-N 2 1 346.515 3.299 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000414817980 309103548 /nfs/dbraw/zinc/10/35/48/309103548.db2.gz ULHJZLMNLBXBLU-UKRRQHHQSA-N 2 1 325.884 3.473 20 0 EGADMP [NH3+][C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000414829177 309104346 /nfs/dbraw/zinc/10/43/46/309104346.db2.gz KIKYZENOZTVNQY-CIAFKFPVSA-N 2 1 335.495 3.187 20 0 EGADMP CCOC(CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)OCC ZINC000299375265 308671876 /nfs/dbraw/zinc/67/18/76/308671876.db2.gz UQKQTJUXNWTXLR-UHFFFAOYSA-N 2 1 334.504 3.420 20 0 EGADMP COc1cccc2c(NC3CC[NH+]([C@@H]4CCOC4)CC3)cc(C)[nH+]c12 ZINC000301870153 308719181 /nfs/dbraw/zinc/71/91/81/308719181.db2.gz JQLZMGVXFABHCZ-MRXNPFEDSA-N 2 1 341.455 3.217 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000305147341 308758605 /nfs/dbraw/zinc/75/86/05/308758605.db2.gz JQGQTCMLTRKFFZ-RDJZCZTQSA-N 2 1 339.524 3.238 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCOC4(CCC4)C3)CC2)oc1C ZINC000333316377 308856632 /nfs/dbraw/zinc/85/66/32/308856632.db2.gz OOMPZXJAELNKIX-GOSISDBHSA-N 2 1 347.503 3.195 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]1C1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000333866582 308870068 /nfs/dbraw/zinc/87/00/68/308870068.db2.gz RCNAJNUBHFBIFQ-QAPCUYQASA-N 2 1 331.847 3.221 20 0 EGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)c(Br)c1 ZINC000401806906 308908386 /nfs/dbraw/zinc/90/83/86/308908386.db2.gz QPZQXZAMGDBTJI-SNVBAGLBSA-N 2 1 326.213 3.215 20 0 EGADMP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@@H](C)C[NH3+] ZINC000414947411 309110686 /nfs/dbraw/zinc/11/06/86/309110686.db2.gz VBKZSKSSZLPFNB-NWDGAFQWSA-N 2 1 337.261 3.306 20 0 EGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000414940271 309110431 /nfs/dbraw/zinc/11/04/31/309110431.db2.gz KDFBBCPYGBSBAL-UHFFFAOYSA-N 2 1 340.515 3.461 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414947284 309110790 /nfs/dbraw/zinc/11/07/90/309110790.db2.gz KOYUARJDIMOSQH-BEFAXECRSA-N 2 1 326.488 3.087 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc(Cl)c1OC ZINC000414979115 309112669 /nfs/dbraw/zinc/11/26/69/309112669.db2.gz UXTSJVOTOVREKQ-HNNXBMFYSA-N 2 1 326.868 3.225 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000414982051 309112750 /nfs/dbraw/zinc/11/27/50/309112750.db2.gz YEZASUOQTCXKLM-WOZUAGRISA-N 3 1 327.516 3.019 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000414998612 309113559 /nfs/dbraw/zinc/11/35/59/309113559.db2.gz IIFHHNNFNQEERV-SRHPJPHMSA-N 3 1 327.516 3.004 20 0 EGADMP CCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)n1 ZINC000415011904 309114208 /nfs/dbraw/zinc/11/42/08/309114208.db2.gz WLAORGUMZPBYQP-QFBILLFUSA-N 2 1 343.446 3.102 20 0 EGADMP Fc1cccc(Oc2ccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)cc2)c1 ZINC000415047734 309116287 /nfs/dbraw/zinc/11/62/87/309116287.db2.gz WHTURVGIFFFIQA-IBGZPJMESA-N 2 1 330.403 3.086 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)C[C@@]1(C)C[NH3+] ZINC000415049538 309116468 /nfs/dbraw/zinc/11/64/68/309116468.db2.gz AXTKRZIIUXHKOF-FZKQIMNGSA-N 2 1 332.879 3.157 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)C[C@@]1(C)C[NH3+] ZINC000415049538 309116469 /nfs/dbraw/zinc/11/64/69/309116469.db2.gz AXTKRZIIUXHKOF-FZKQIMNGSA-N 2 1 332.879 3.157 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000415076974 309118675 /nfs/dbraw/zinc/11/86/75/309118675.db2.gz DEEVGWSAZUPUDI-VYDXJSESSA-N 2 1 349.906 3.346 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCCCc2cccc(C(F)(F)F)c2)CCCO1 ZINC000415108590 309120941 /nfs/dbraw/zinc/12/09/41/309120941.db2.gz MNXNTRZABYFHIK-INIZCTEOSA-N 2 1 330.394 3.078 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C[C@H]1C[NH3+] ZINC000415135490 309123000 /nfs/dbraw/zinc/12/30/00/309123000.db2.gz WSDPNQIBHRIYGG-FUHWJXTLSA-N 2 1 325.456 3.077 20 0 EGADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000415761756 309143374 /nfs/dbraw/zinc/14/33/74/309143374.db2.gz VAPHMAJOOJKCHX-QGZVFWFLSA-N 2 1 337.427 3.027 20 0 EGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000415906648 309147515 /nfs/dbraw/zinc/14/75/15/309147515.db2.gz YFUFILLFATVPIM-MRXNPFEDSA-N 2 1 340.471 3.048 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000415909068 309147654 /nfs/dbraw/zinc/14/76/54/309147654.db2.gz RMMJDQMREGKGKG-LJQANCHMSA-N 2 1 344.503 3.182 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000415971860 309152047 /nfs/dbraw/zinc/15/20/47/309152047.db2.gz LFWGUIXJGTWKSY-UHFFFAOYSA-N 2 1 346.519 3.382 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415972029 309152090 /nfs/dbraw/zinc/15/20/90/309152090.db2.gz OLMXSLNVONWEKZ-NSHDSACASA-N 2 1 346.397 3.014 20 0 EGADMP C[C@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000416128786 309160013 /nfs/dbraw/zinc/16/00/13/309160013.db2.gz GYCHNAAACRKGOT-ZHALLVOQSA-N 2 1 331.504 3.059 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417321387 309201537 /nfs/dbraw/zinc/20/15/37/309201537.db2.gz LMWUDSZEIHONLX-FGTMMUONSA-N 2 1 335.561 3.247 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417982211 309230606 /nfs/dbraw/zinc/23/06/06/309230606.db2.gz MXMMIJJORXBOMU-FKBYEOEOSA-N 2 1 336.479 3.147 20 0 EGADMP Brc1ccc2c(c1)[nH+]ccc2N1CC[C@]2(CC[NH2+]C2)C1 ZINC000420231470 309277579 /nfs/dbraw/zinc/27/75/79/309277579.db2.gz RYHGTAKDYAXAQX-INIZCTEOSA-N 2 1 332.245 3.187 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420286184 309279316 /nfs/dbraw/zinc/27/93/16/309279316.db2.gz FTSISYFFVWAAQG-ZIAGYGMSSA-N 2 1 330.428 3.169 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420286184 309279317 /nfs/dbraw/zinc/27/93/17/309279317.db2.gz FTSISYFFVWAAQG-ZIAGYGMSSA-N 2 1 330.428 3.169 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420293640 309279725 /nfs/dbraw/zinc/27/97/25/309279725.db2.gz RKEZEBXVZNUHEX-VQIMIIECSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420293640 309279726 /nfs/dbraw/zinc/27/97/26/309279726.db2.gz RKEZEBXVZNUHEX-VQIMIIECSA-N 2 1 325.456 3.220 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420297270 309279946 /nfs/dbraw/zinc/27/99/46/309279946.db2.gz YKTGBWSIZCMXQD-OLZOCXBDSA-N 2 1 332.469 3.247 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420297270 309279947 /nfs/dbraw/zinc/27/99/47/309279947.db2.gz YKTGBWSIZCMXQD-OLZOCXBDSA-N 2 1 332.469 3.247 20 0 EGADMP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@H]1CC[NH2+]C1 ZINC000420298439 309280199 /nfs/dbraw/zinc/28/01/99/309280199.db2.gz FHJXMYBTWSGLAX-OAHLLOKOSA-N 2 1 330.451 3.080 20 0 EGADMP CCC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000420313600 309281192 /nfs/dbraw/zinc/28/11/92/309281192.db2.gz YDIFFWBJKFQRGG-IJXRJRJASA-N 2 1 346.515 3.263 20 0 EGADMP Fc1ccc(-c2c[nH]c([C@@H]3CCC[N@H+]3CC[C@H]3CC[NH2+]C3)n2)cc1 ZINC000420314531 309281451 /nfs/dbraw/zinc/28/14/51/309281451.db2.gz KFWTUCBIANFMRU-KDOFPFPSSA-N 2 1 328.435 3.352 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cncc(OCc4ccccc4)c3)C[C@H]21 ZINC000420317623 309281467 /nfs/dbraw/zinc/28/14/67/309281467.db2.gz ZRARFGUKRJHVSR-CEWLAPEOSA-N 2 1 337.467 3.220 20 0 EGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CC[C@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314545 309281649 /nfs/dbraw/zinc/28/16/49/309281649.db2.gz KIVBSZMDTWYTCN-IFMALSPDSA-N 3 1 341.543 3.364 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CC[C@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314545 309281650 /nfs/dbraw/zinc/28/16/50/309281650.db2.gz KIVBSZMDTWYTCN-IFMALSPDSA-N 3 1 341.543 3.364 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CC[C@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314545 309281651 /nfs/dbraw/zinc/28/16/51/309281651.db2.gz KIVBSZMDTWYTCN-IFMALSPDSA-N 3 1 341.543 3.364 20 0 EGADMP c1ccc(CN2CCC[C@]3(CC[N@@H+](CC[C@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314545 309281652 /nfs/dbraw/zinc/28/16/52/309281652.db2.gz KIVBSZMDTWYTCN-IFMALSPDSA-N 2 1 341.543 3.364 20 0 EGADMP c1ccc(CN2CCC[C@]3(CC[N@H+](CC[C@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314545 309281653 /nfs/dbraw/zinc/28/16/53/309281653.db2.gz KIVBSZMDTWYTCN-IFMALSPDSA-N 2 1 341.543 3.364 20 0 EGADMP CCOc1cc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000420319433 309281730 /nfs/dbraw/zinc/28/17/30/309281730.db2.gz PNKZJZMJYFVLAA-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP CC[N@@H+](Cc1ccc2oc(C(=O)OC)cc2c1)[C@H]1CCC[NH2+]CC1 ZINC000420319598 309281732 /nfs/dbraw/zinc/28/17/32/309281732.db2.gz XWRVJBCWGLKOBF-INIZCTEOSA-N 2 1 330.428 3.183 20 0 EGADMP CC[N@H+](Cc1ccc(OC)cc1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420319338 309281794 /nfs/dbraw/zinc/28/17/94/309281794.db2.gz PFYRAPCHNLIECA-SFHVURJKSA-N 2 1 328.456 3.268 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420319833 309281934 /nfs/dbraw/zinc/28/19/34/309281934.db2.gz AOXWBYXGWWXYEI-IAGOWNOFSA-N 2 1 341.455 3.172 20 0 EGADMP c1sc(Nc2ccccc2)nc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420322740 309281979 /nfs/dbraw/zinc/28/19/79/309281979.db2.gz FFJMLFAKJOLBFN-CVEARBPZSA-N 2 1 342.512 3.130 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCC23CC4CC(CC(C4)C2)C3)CC12CCOCC2 ZINC000420321545 309282046 /nfs/dbraw/zinc/28/20/46/309282046.db2.gz CRVRUEOGPNOENR-NRFBVMONSA-N 2 1 332.532 3.280 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000420320552 309282130 /nfs/dbraw/zinc/28/21/30/309282130.db2.gz QOWVGICYFVWBPN-BDTNDASRSA-N 2 1 336.479 3.069 20 0 EGADMP CCOc1cc2c(cc1OCC)C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000420326753 309282282 /nfs/dbraw/zinc/28/22/82/309282282.db2.gz XOSDVKZKXQRPGJ-MRXNPFEDSA-N 2 1 332.488 3.232 20 0 EGADMP Cc1ccc(SCC[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1C ZINC000420328916 309282678 /nfs/dbraw/zinc/28/26/78/309282678.db2.gz NLQNILNXYURTPN-QGZVFWFLSA-N 2 1 334.529 3.083 20 0 EGADMP C[C@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)[C@H](C[NH3+])C1 ZINC000420331670 309282807 /nfs/dbraw/zinc/28/28/07/309282807.db2.gz IRKVWZGIRVSKSA-RDJZCZTQSA-N 2 1 325.456 3.228 20 0 EGADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)[C@H](C[NH3+])C1 ZINC000420331670 309282808 /nfs/dbraw/zinc/28/28/08/309282808.db2.gz IRKVWZGIRVSKSA-RDJZCZTQSA-N 2 1 325.456 3.228 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420336996 309283046 /nfs/dbraw/zinc/28/30/46/309283046.db2.gz JFMHXDANNLPYCN-HOTGVXAUSA-N 2 1 349.906 3.217 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420336996 309283047 /nfs/dbraw/zinc/28/30/47/309283047.db2.gz JFMHXDANNLPYCN-HOTGVXAUSA-N 2 1 349.906 3.217 20 0 EGADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340054 309283248 /nfs/dbraw/zinc/28/32/48/309283248.db2.gz MLOKLPFPARTWBL-MSOLQXFVSA-N 2 1 330.472 3.109 20 0 EGADMP CCc1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420339504 309283277 /nfs/dbraw/zinc/28/32/77/309283277.db2.gz LWLPNBSWVKUKHM-ROUUACIJSA-N 2 1 340.471 3.121 20 0 EGADMP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420372292 309284723 /nfs/dbraw/zinc/28/47/23/309284723.db2.gz DZBRJFWNVXWVRN-KMFMINBZSA-N 2 1 335.492 3.251 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1cccc(Cl)c1 ZINC000420380495 309285407 /nfs/dbraw/zinc/28/54/07/309285407.db2.gz BYJAMBZFMXDRFI-RHSMWYFYSA-N 2 1 335.879 3.133 20 0 EGADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000420381781 309285641 /nfs/dbraw/zinc/28/56/41/309285641.db2.gz ZKBJURLJHBAXTI-GLKRBJQHSA-N 2 1 344.286 3.298 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420387285 309285671 /nfs/dbraw/zinc/28/56/71/309285671.db2.gz VSIRPTFOXGRHKL-KXBFYZLASA-N 2 1 327.476 3.258 20 0 EGADMP CC(C)(C)c1csc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC000420390205 309285836 /nfs/dbraw/zinc/28/58/36/309285836.db2.gz YZIFJICMPNAQBY-YOEHRIQHSA-N 2 1 337.533 3.159 20 0 EGADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCCc3cccc4ccccc43)C2)nn1 ZINC000420390935 309285843 /nfs/dbraw/zinc/28/58/43/309285843.db2.gz ZZLFYWHAKASUIE-HXUWFJFHSA-N 2 1 349.482 3.160 20 0 EGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3coc(-c4cccs4)n3)CC2)C1 ZINC000420389677 309285880 /nfs/dbraw/zinc/28/58/80/309285880.db2.gz MIFTXFUKBRFAEN-GOEBONIOSA-N 2 1 347.484 3.121 20 0 EGADMP Cc1cc(CNC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)cc(C)n1 ZINC000420812952 309296178 /nfs/dbraw/zinc/29/61/78/309296178.db2.gz GSDNNICWPNLSHW-GOSISDBHSA-N 2 1 332.492 3.008 20 0 EGADMP c1cc(C[NH+]2CCC(OC3CCC3)CC2)ccc1C[NH+]1CCOCC1 ZINC000420960028 309304366 /nfs/dbraw/zinc/30/43/66/309304366.db2.gz GGQYHOYAEFDDFE-UHFFFAOYSA-N 2 1 344.499 3.052 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H]3C[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000420973729 309305430 /nfs/dbraw/zinc/30/54/30/309305430.db2.gz CRONTJCOWFXGQP-SFTDATJTSA-N 2 1 345.506 3.174 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3c(C)cccc3C)CC2)CC1 ZINC000420984835 309305905 /nfs/dbraw/zinc/30/59/05/309305905.db2.gz UQVJDUKTWBPBLO-UHFFFAOYSA-N 2 1 329.532 3.295 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCc3ccccc3C)CC2)CC1 ZINC000420987117 309306032 /nfs/dbraw/zinc/30/60/32/309306032.db2.gz ZZEIHULSDBCCGE-UHFFFAOYSA-N 2 1 343.559 3.420 20 0 EGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000421858621 309343779 /nfs/dbraw/zinc/34/37/79/309343779.db2.gz ROMJVFMYCFKKKO-CQSZACIVSA-N 2 1 341.902 3.026 20 0 EGADMP CON1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000421875106 309344543 /nfs/dbraw/zinc/34/45/43/309344543.db2.gz JPNITARJVPCRRL-HBMCJLEFSA-N 2 1 343.515 3.045 20 0 EGADMP COc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)co2)cc1 ZINC000422634118 309362979 /nfs/dbraw/zinc/36/29/79/309362979.db2.gz JCLIUPHHBXDKAK-FMKPAKJESA-N 2 1 329.444 3.155 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)co2)cc1 ZINC000422634118 309362980 /nfs/dbraw/zinc/36/29/80/309362980.db2.gz JCLIUPHHBXDKAK-FMKPAKJESA-N 2 1 329.444 3.155 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422712540 309364473 /nfs/dbraw/zinc/36/44/73/309364473.db2.gz IMIVFLDQIRYWLA-SFTDATJTSA-N 3 1 339.483 3.252 20 0 EGADMP CCOc1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])ccc1OC ZINC000422729201 309365549 /nfs/dbraw/zinc/36/55/49/309365549.db2.gz KCSYCQCZFZMENL-MAUKXSAKSA-N 2 1 328.456 3.142 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)N(C)C ZINC000422747557 309366554 /nfs/dbraw/zinc/36/65/54/309366554.db2.gz QKBRYTPIAFUTNM-QRVBRYPASA-N 2 1 325.456 3.032 20 0 EGADMP COc1ccccc1[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)[NH+](C)C ZINC000422747557 309366555 /nfs/dbraw/zinc/36/65/55/309366555.db2.gz QKBRYTPIAFUTNM-QRVBRYPASA-N 2 1 325.456 3.032 20 0 EGADMP COC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422762075 309367011 /nfs/dbraw/zinc/36/70/11/309367011.db2.gz NMULSOORNBMEMO-BJJXKVORSA-N 2 1 330.394 3.371 20 0 EGADMP CCN(CC)[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cccc(OC)c1 ZINC000422788503 309368315 /nfs/dbraw/zinc/36/83/15/309368315.db2.gz AVFNAENFCRSIFZ-YSIASYRMSA-N 2 1 333.520 3.185 20 0 EGADMP CC[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422789851 309368525 /nfs/dbraw/zinc/36/85/25/309368525.db2.gz SQJRZOZGJKLXKQ-MOPGFXCFSA-N 2 1 335.923 3.425 20 0 EGADMP c1ccc(CCN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422845141 309371663 /nfs/dbraw/zinc/37/16/63/309371663.db2.gz NORWUBNGDPMENA-YPAWHYETSA-N 2 1 341.543 3.204 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422845141 309371664 /nfs/dbraw/zinc/37/16/64/309371664.db2.gz NORWUBNGDPMENA-YPAWHYETSA-N 3 1 341.543 3.204 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000422878563 309373547 /nfs/dbraw/zinc/37/35/47/309373547.db2.gz KHFVMAPPCCRYCM-BEFAXECRSA-N 3 1 335.923 3.140 20 0 EGADMP CCCC(=O)Nc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422883589 309373867 /nfs/dbraw/zinc/37/38/67/309373867.db2.gz QUBALEORBWZZQF-UZLBHIALSA-N 2 1 339.483 3.473 20 0 EGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000422903913 309375354 /nfs/dbraw/zinc/37/53/54/309375354.db2.gz PLIDGNQSHMBQRH-DNVCBOLYSA-N 2 1 338.430 3.060 20 0 EGADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422926647 309376403 /nfs/dbraw/zinc/37/64/03/309376403.db2.gz XFSRKEIVNNUDPP-FVCZOJIISA-N 2 1 331.504 3.225 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423050763 309383193 /nfs/dbraw/zinc/38/31/93/309383193.db2.gz LYYWVMVQJHZYPW-YWZLYKJASA-N 2 1 339.458 3.408 20 0 EGADMP Cc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CCC2)cc1C ZINC000423087908 309385430 /nfs/dbraw/zinc/38/54/30/309385430.db2.gz PBENTUJGETWKHF-NJYVYQBISA-N 2 1 342.527 3.472 20 0 EGADMP FC(F)COc1cnccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423102117 309385922 /nfs/dbraw/zinc/38/59/22/309385922.db2.gz NWAZSLBPMVFPKU-HRCADAONSA-N 2 1 339.430 3.126 20 0 EGADMP CC(C)Cc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000423124881 309387066 /nfs/dbraw/zinc/38/70/66/309387066.db2.gz MVRVQSWLLNPNRS-JKWVGCSGSA-N 2 1 329.532 3.360 20 0 EGADMP COc1ncc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1Cl ZINC000423156983 309388725 /nfs/dbraw/zinc/38/87/25/309388725.db2.gz LXLIYRRJWYAZLT-WBVHZDCISA-N 2 1 331.847 3.327 20 0 EGADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423165806 309388991 /nfs/dbraw/zinc/38/89/91/309388991.db2.gz UXTREMUXAIQMDG-MISYRCLQSA-N 2 1 344.524 3.461 20 0 EGADMP CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+][C@H]2CC[NH2+]C2)nc1 ZINC000423215707 309390884 /nfs/dbraw/zinc/39/08/84/309390884.db2.gz OIGUIBWFWXJABD-PMACEKPBSA-N 2 1 343.902 3.403 20 0 EGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423259995 309392771 /nfs/dbraw/zinc/39/27/71/309392771.db2.gz GKIFYHLWCFRUPD-ACJLOTCBSA-N 2 1 329.488 3.475 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC[C@@H]3CCC[NH2+]C3)[C@@H]3CCC[C@H]32)cc1 ZINC000423271558 309393394 /nfs/dbraw/zinc/39/33/94/309393394.db2.gz IVUMFUGUDOZJMG-JKLQHZFJSA-N 3 1 341.543 3.409 20 0 EGADMP c1ccc(CN2CC[C@H]([NH2+]CC[C@@H]3CCC[NH2+]C3)[C@@H]3CCC[C@H]32)cc1 ZINC000423271558 309393395 /nfs/dbraw/zinc/39/33/95/309393395.db2.gz IVUMFUGUDOZJMG-JKLQHZFJSA-N 2 1 341.543 3.409 20 0 EGADMP C[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000423337838 309395931 /nfs/dbraw/zinc/39/59/31/309395931.db2.gz UFHCMAMTTCPNQH-RYRKJORJSA-N 2 1 331.504 3.092 20 0 EGADMP C[N@@H+](CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000423337266 309396086 /nfs/dbraw/zinc/39/60/86/309396086.db2.gz UCCJSLCXDIJDFJ-GOSISDBHSA-N 2 1 331.504 3.093 20 0 EGADMP [NH3+]C1(CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000423340551 309396093 /nfs/dbraw/zinc/39/60/93/309396093.db2.gz XJTBBXAPYHNMQN-SLFFLAALSA-N 2 1 327.516 3.148 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(Br)c1 ZINC000423347665 309396413 /nfs/dbraw/zinc/39/64/13/309396413.db2.gz RPNFRHOHWLBAQM-WBMJQRKESA-N 2 1 341.293 3.498 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(N)ccc32)[C@@H](C)C1 ZINC000423353332 309396561 /nfs/dbraw/zinc/39/65/61/309396561.db2.gz LSUNSBRZZDHBLA-NDXORKPFSA-N 2 1 345.531 3.373 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423417826 309399583 /nfs/dbraw/zinc/39/95/83/309399583.db2.gz TVOARNUDWCGDJE-MOPGFXCFSA-N 2 1 343.515 3.093 20 0 EGADMP COC[C@]1(C[NH2+][C@H](C)c2ccc(OC)c3ccccc32)CCC[NH2+]1 ZINC000423426177 309399809 /nfs/dbraw/zinc/39/98/09/309399809.db2.gz MYCKEYKGOLVKKN-FOIQADDNSA-N 2 1 328.456 3.268 20 0 EGADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000423481423 309401939 /nfs/dbraw/zinc/40/19/39/309401939.db2.gz WNGJUNWGOGIKIY-HOJAQTOUSA-N 2 1 329.532 3.189 20 0 EGADMP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000423694109 309410076 /nfs/dbraw/zinc/41/00/76/309410076.db2.gz KKEDMNGRYSLBFD-DOTOQJQBSA-N 2 1 346.519 3.127 20 0 EGADMP CCOc1ccc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1Cl ZINC000425894792 309494030 /nfs/dbraw/zinc/49/40/30/309494030.db2.gz HIOGEJJFJQZWOU-UHFFFAOYSA-N 2 1 349.862 3.484 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000449103327 310037362 /nfs/dbraw/zinc/03/73/62/310037362.db2.gz ARZHNYGNMAQBJT-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000449103327 310037363 /nfs/dbraw/zinc/03/73/63/310037363.db2.gz ARZHNYGNMAQBJT-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP CC(C)CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000449121388 310038679 /nfs/dbraw/zinc/03/86/79/310038679.db2.gz HQFDDYSQXDMVKN-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](C)O[C@H]3C)CC2)cs1 ZINC000449151078 310040584 /nfs/dbraw/zinc/04/05/84/310040584.db2.gz VNKOUIVUFHAGSI-JKIFEVAISA-N 2 1 337.533 3.073 20 0 EGADMP CSCC1CCC([NH2+]C2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000449182712 310042645 /nfs/dbraw/zinc/04/26/45/310042645.db2.gz KFMPLHPNIHJNPG-UHFFFAOYSA-N 2 1 328.566 3.387 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449325912 310053766 /nfs/dbraw/zinc/05/37/66/310053766.db2.gz QLFDAEDANWWGIN-UHFFFAOYSA-N 2 1 341.434 3.253 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449325912 310053767 /nfs/dbraw/zinc/05/37/67/310053767.db2.gz QLFDAEDANWWGIN-UHFFFAOYSA-N 2 1 341.434 3.253 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CC(C)(C)c3ccccn3)sc2C1 ZINC000449393516 310058401 /nfs/dbraw/zinc/05/84/01/310058401.db2.gz NHNMKQXHMSBATH-UHFFFAOYSA-N 2 1 344.528 3.372 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CC(C)(C)c3ccccn3)sc2C1 ZINC000449393516 310058402 /nfs/dbraw/zinc/05/84/02/310058402.db2.gz NHNMKQXHMSBATH-UHFFFAOYSA-N 2 1 344.528 3.372 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)s1 ZINC000449617990 310075488 /nfs/dbraw/zinc/07/54/88/310075488.db2.gz ANOKMYXJJNCYKR-TZMCWYRMSA-N 2 1 337.514 3.276 20 0 EGADMP Cn1cc[nH+]c1CC1CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000450371802 310118608 /nfs/dbraw/zinc/11/86/08/310118608.db2.gz KJRXAGLBRYCFPR-UHFFFAOYSA-N 2 1 325.456 3.338 20 0 EGADMP CC(C)C[C@H](C)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000450645691 310134861 /nfs/dbraw/zinc/13/48/61/310134861.db2.gz GGCDVYLMDKBYJJ-RCCFBDPRSA-N 2 1 326.525 3.011 20 0 EGADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450862771 310146587 /nfs/dbraw/zinc/14/65/87/310146587.db2.gz AJURILUCEYHWJP-YLJYHZDGSA-N 2 1 340.467 3.398 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](C)[C@@H](Cc2ccccc2)C1 ZINC000450940656 310151063 /nfs/dbraw/zinc/15/10/63/310151063.db2.gz MCCBGNCWXTUJSM-RTWAWAEBSA-N 2 1 329.532 3.108 20 0 EGADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)C[C@H]1CCCCC1(F)F ZINC000451036933 310157013 /nfs/dbraw/zinc/15/70/13/310157013.db2.gz NDIXIHBTZWFHJX-QGZVFWFLSA-N 2 1 331.495 3.161 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000451527340 310183316 /nfs/dbraw/zinc/18/33/16/310183316.db2.gz DLIMFVHYZDUJLD-QUCCMNQESA-N 2 1 343.515 3.014 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000451527340 310183317 /nfs/dbraw/zinc/18/33/17/310183317.db2.gz DLIMFVHYZDUJLD-QUCCMNQESA-N 2 1 343.515 3.014 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@H](C)c3ccccc3)C2)CC1 ZINC000451527340 310183318 /nfs/dbraw/zinc/18/33/18/310183318.db2.gz DLIMFVHYZDUJLD-QUCCMNQESA-N 2 1 343.515 3.014 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@H](C)c3ccccc3)C2)CC1 ZINC000451527340 310183319 /nfs/dbraw/zinc/18/33/19/310183319.db2.gz DLIMFVHYZDUJLD-QUCCMNQESA-N 2 1 343.515 3.014 20 0 EGADMP C[C@@H]1CN(CCC[NH+]2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000451713641 310194131 /nfs/dbraw/zinc/19/41/31/310194131.db2.gz UWLMIBJLLZGJNK-HXUWFJFHSA-N 2 1 329.532 3.316 20 0 EGADMP COCc1cccc(OCC2(C[NH2+]C(C)(C)C[NH+]3CCCC3)CC2)c1 ZINC000452098580 310212006 /nfs/dbraw/zinc/21/20/06/310212006.db2.gz UPVMQDKGSDEFMJ-UHFFFAOYSA-N 2 1 346.515 3.456 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)CO2 ZINC000453061391 310255297 /nfs/dbraw/zinc/25/52/97/310255297.db2.gz PCKFXNOESQGWJE-FUHWJXTLSA-N 2 1 332.488 3.100 20 0 EGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C1CC1 ZINC000453213697 310264359 /nfs/dbraw/zinc/26/43/59/310264359.db2.gz ATWMHXGZTQAXMM-MXEMCNAFSA-N 2 1 328.500 3.444 20 0 EGADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453212286 310264423 /nfs/dbraw/zinc/26/44/23/310264423.db2.gz OBUGFICKXOEZPT-SRHPJPHMSA-N 2 1 328.500 3.180 20 0 EGADMP C[C@H]([NH2+]Cc1cnc(C2CC2)o1)c1cccc(OCC[NH+](C)C)c1 ZINC000453371724 310273352 /nfs/dbraw/zinc/27/33/52/310273352.db2.gz UUCYPSBIQGPRON-AWEZNQCLSA-N 2 1 329.444 3.343 20 0 EGADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000453391492 310274479 /nfs/dbraw/zinc/27/44/79/310274479.db2.gz DOGIBEKMYQRUCG-BAGYTPMASA-N 3 1 341.543 3.361 20 0 EGADMP C[NH+](CCCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000453391492 310274480 /nfs/dbraw/zinc/27/44/80/310274480.db2.gz DOGIBEKMYQRUCG-BAGYTPMASA-N 3 1 341.543 3.361 20 0 EGADMP C[NH+](CCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000453391492 310274481 /nfs/dbraw/zinc/27/44/81/310274481.db2.gz DOGIBEKMYQRUCG-BAGYTPMASA-N 3 1 341.543 3.361 20 0 EGADMP Cn1cc([C@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2cccc(F)c2)cn1 ZINC000453393218 310274535 /nfs/dbraw/zinc/27/45/35/310274535.db2.gz FOVQBLHSHJEVCJ-LJQANCHMSA-N 2 1 330.451 3.113 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000453407465 310275300 /nfs/dbraw/zinc/27/53/00/310275300.db2.gz RWXNXUGYYUZDCF-QUCCMNQESA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]([NH2+]CCCC[NH+](C)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453407465 310275301 /nfs/dbraw/zinc/27/53/01/310275301.db2.gz RWXNXUGYYUZDCF-QUCCMNQESA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]([NH2+]CCCC[NH+](C)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453407465 310275302 /nfs/dbraw/zinc/27/53/02/310275302.db2.gz RWXNXUGYYUZDCF-QUCCMNQESA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000453407465 310275303 /nfs/dbraw/zinc/27/53/03/310275303.db2.gz RWXNXUGYYUZDCF-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000453407465 310275304 /nfs/dbraw/zinc/27/53/04/310275304.db2.gz RWXNXUGYYUZDCF-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(-c2cnn(C)c2)c1 ZINC000453598002 310283433 /nfs/dbraw/zinc/28/34/33/310283433.db2.gz OYEMZXKCUOVHAZ-UHFFFAOYSA-N 2 1 326.488 3.360 20 0 EGADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455843967 310379166 /nfs/dbraw/zinc/37/91/66/310379166.db2.gz GUVFTHYDCNJTMI-MJGOQNOKSA-N 2 1 344.503 3.184 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455872782 310380503 /nfs/dbraw/zinc/38/05/03/310380503.db2.gz ZDLYBKMQGUOOKU-RDTXWAMCSA-N 2 1 332.492 3.086 20 0 EGADMP CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455931785 310382572 /nfs/dbraw/zinc/38/25/72/310382572.db2.gz PRFFLPRVGITHAB-BEFAXECRSA-N 2 1 344.503 3.089 20 0 EGADMP CC[N@@H+](CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C(C)C ZINC000455948854 310383271 /nfs/dbraw/zinc/38/32/71/310383271.db2.gz YLDSOKREUOMYGJ-SFHVURJKSA-N 2 1 332.492 3.087 20 0 EGADMP CCC(CC)[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[NH+](C)C ZINC000463137830 310609572 /nfs/dbraw/zinc/60/95/72/310609572.db2.gz TWHPWMFVMMMFNW-MRXNPFEDSA-N 2 1 337.474 3.359 20 0 EGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488315370 311060230 /nfs/dbraw/zinc/06/02/30/311060230.db2.gz DIKOXBIHUOPXQH-UHFFFAOYSA-N 2 1 326.419 3.495 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000492769103 311288881 /nfs/dbraw/zinc/28/88/81/311288881.db2.gz LZFLGOZDOZZTPK-NVXWUHKLSA-N 2 1 337.508 3.016 20 0 EGADMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000508878938 312104710 /nfs/dbraw/zinc/10/47/10/312104710.db2.gz OHMGQNWXAFCQJT-LPHOPBHVSA-N 2 1 335.923 3.106 20 0 EGADMP Cc1cc(Cl)cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000508878938 312104713 /nfs/dbraw/zinc/10/47/13/312104713.db2.gz OHMGQNWXAFCQJT-LPHOPBHVSA-N 2 1 335.923 3.106 20 0 EGADMP CC[N@@H+](CCN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512622919 312190431 /nfs/dbraw/zinc/19/04/31/312190431.db2.gz CRCDMQSBSCHXPY-CEMLEFRQSA-N 2 1 341.543 3.361 20 0 EGADMP CC[NH+](CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512622919 312190432 /nfs/dbraw/zinc/19/04/32/312190432.db2.gz CRCDMQSBSCHXPY-CEMLEFRQSA-N 3 1 341.543 3.361 20 0 EGADMP CC[NH+](CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512622919 312190433 /nfs/dbraw/zinc/19/04/33/312190433.db2.gz CRCDMQSBSCHXPY-CEMLEFRQSA-N 3 1 341.543 3.361 20 0 EGADMP CCN(CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512622919 312190434 /nfs/dbraw/zinc/19/04/34/312190434.db2.gz CRCDMQSBSCHXPY-CEMLEFRQSA-N 3 1 341.543 3.361 20 0 EGADMP CCN(CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512622919 312190435 /nfs/dbraw/zinc/19/04/35/312190435.db2.gz CRCDMQSBSCHXPY-CEMLEFRQSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512654213 312191645 /nfs/dbraw/zinc/19/16/45/312191645.db2.gz KFCUVYXOWMGJSQ-PMXSJFBMSA-N 2 1 328.500 3.038 20 0 EGADMP CC1(C)CCC[C@]1(O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000517046688 312361140 /nfs/dbraw/zinc/36/11/40/312361140.db2.gz FTBHXLRKVUZVFH-KEZQHZCBSA-N 2 1 342.527 3.428 20 0 EGADMP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000528894597 313203484 /nfs/dbraw/zinc/20/34/84/313203484.db2.gz FBMAPINXXGQJPE-LJQANCHMSA-N 2 1 344.503 3.277 20 0 EGADMP Cc1ncc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)n1C ZINC000529643358 313377191 /nfs/dbraw/zinc/37/71/91/313377191.db2.gz ZBCHDSKQABAORM-HXUWFJFHSA-N 2 1 326.488 3.071 20 0 EGADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccs1 ZINC000531932620 313732099 /nfs/dbraw/zinc/73/20/99/313732099.db2.gz YUMMFCRWRIVLFO-GJZGRUSLSA-N 2 1 335.542 3.449 20 0 EGADMP COC(=O)[C@]1(C)CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000536666509 314136870 /nfs/dbraw/zinc/13/68/70/314136870.db2.gz NAEGHPHBXYXAEE-HXUWFJFHSA-N 2 1 332.488 3.030 20 0 EGADMP COC(=O)[C@]1(C)CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000536666509 314136872 /nfs/dbraw/zinc/13/68/72/314136872.db2.gz NAEGHPHBXYXAEE-HXUWFJFHSA-N 2 1 332.488 3.030 20 0 EGADMP COC(=O)[C@]1(C)CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000536666509 314136874 /nfs/dbraw/zinc/13/68/74/314136874.db2.gz NAEGHPHBXYXAEE-HXUWFJFHSA-N 2 1 332.488 3.030 20 0 EGADMP CC[NH+]1CCC([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000538196643 314231636 /nfs/dbraw/zinc/23/16/36/314231636.db2.gz TZZAQSOFONZSNI-AZUAARDMSA-N 3 1 329.532 3.361 20 0 EGADMP CCN1CCC([NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000538196643 314231640 /nfs/dbraw/zinc/23/16/40/314231640.db2.gz TZZAQSOFONZSNI-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP CCN1CCC([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000538196643 314231642 /nfs/dbraw/zinc/23/16/42/314231642.db2.gz TZZAQSOFONZSNI-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP CCCOc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000538761002 314273695 /nfs/dbraw/zinc/27/36/95/314273695.db2.gz BITLLPWOFKUTSC-FQEVSTJZSA-N 2 1 345.531 3.076 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1)CC1CC1 ZINC000540050616 314360303 /nfs/dbraw/zinc/36/03/03/314360303.db2.gz WDNQXZSFPICHFF-KRWDZBQOSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1ccc(F)cc1Cl ZINC000091689025 454459434 /nfs/dbraw/zinc/45/94/34/454459434.db2.gz JRGNGZYCMBHLKN-UHFFFAOYSA-N 2 1 325.815 3.385 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1ccc(F)cc1Cl ZINC000091689025 454459438 /nfs/dbraw/zinc/45/94/38/454459438.db2.gz JRGNGZYCMBHLKN-UHFFFAOYSA-N 2 1 325.815 3.385 20 0 EGADMP C[NH+](C)C[C@H]1CCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000549557864 315096978 /nfs/dbraw/zinc/09/69/78/315096978.db2.gz SNAWLEKSKNGTAH-GFCCVEGCSA-N 2 1 334.261 3.385 20 0 EGADMP COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000551908361 315177212 /nfs/dbraw/zinc/17/72/12/315177212.db2.gz DMAHXLKJYZNMME-INIZCTEOSA-N 2 1 347.503 3.074 20 0 EGADMP C[C@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+]1CC(C)C1 ZINC000552979881 315239464 /nfs/dbraw/zinc/23/94/64/315239464.db2.gz DYTSOLBVCDWLNU-QZTJIDSGSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000552996707 315240521 /nfs/dbraw/zinc/24/05/21/315240521.db2.gz DEIDKFFTFRFQCS-GOSISDBHSA-N 2 1 345.531 3.175 20 0 EGADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[NH+]1CC(C)C1 ZINC000553327888 315258012 /nfs/dbraw/zinc/25/80/12/315258012.db2.gz VIVVYTGPDYYLQS-MSOLQXFVSA-N 2 1 343.515 3.017 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC2CC[NH+](CC)CC2)cc1)C1CC1 ZINC000554581962 315334721 /nfs/dbraw/zinc/33/47/21/315334721.db2.gz KEAZSVVNZOOEPI-UHFFFAOYSA-N 2 1 343.515 3.133 20 0 EGADMP CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000564465956 316156684 /nfs/dbraw/zinc/15/66/84/316156684.db2.gz WFFDRHIKMLSMNY-KRWDZBQOSA-N 2 1 345.487 3.024 20 0 EGADMP CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000564465956 316156689 /nfs/dbraw/zinc/15/66/89/316156689.db2.gz WFFDRHIKMLSMNY-KRWDZBQOSA-N 2 1 345.487 3.024 20 0 EGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000565159535 316277691 /nfs/dbraw/zinc/27/76/91/316277691.db2.gz ZFGCVMXSJCMCEL-COXVUDFISA-N 2 1 344.421 3.401 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000565159535 316277694 /nfs/dbraw/zinc/27/76/94/316277694.db2.gz ZFGCVMXSJCMCEL-COXVUDFISA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000565159535 316277698 /nfs/dbraw/zinc/27/76/98/316277698.db2.gz ZFGCVMXSJCMCEL-COXVUDFISA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000565159535 316277702 /nfs/dbraw/zinc/27/77/02/316277702.db2.gz ZFGCVMXSJCMCEL-COXVUDFISA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[C@H](C)C[C@@H]3C)CC2)CC1 ZINC000565184602 316285484 /nfs/dbraw/zinc/28/54/84/316285484.db2.gz CGUYWAOZNAMJRB-ABSDTBQOSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cncc(Br)c1 ZINC000565247035 316299001 /nfs/dbraw/zinc/29/90/01/316299001.db2.gz RLTYNYCHIIMSQY-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cncc(Br)c1 ZINC000565247030 316299017 /nfs/dbraw/zinc/29/90/17/316299017.db2.gz RLTYNYCHIIMSQY-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP CCc1noc(CC)c1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000565416089 316321317 /nfs/dbraw/zinc/32/13/17/316321317.db2.gz STIAIIZNZXDVIV-FXAWDEMLSA-N 2 1 341.455 3.145 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000565600661 316345338 /nfs/dbraw/zinc/34/53/38/316345338.db2.gz DRNIVDBECWUUDV-QGZVFWFLSA-N 2 1 349.544 3.198 20 0 EGADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000572703590 317377517 /nfs/dbraw/zinc/37/75/17/317377517.db2.gz SDMWBXWENVJPAR-AWEZNQCLSA-N 2 1 341.846 3.249 20 0 EGADMP Cn1ccnc1[C@H]1CCN(Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000572703590 317377522 /nfs/dbraw/zinc/37/75/22/317377522.db2.gz SDMWBXWENVJPAR-AWEZNQCLSA-N 2 1 341.846 3.249 20 0 EGADMP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000171384562 323232552 /nfs/dbraw/zinc/23/25/52/323232552.db2.gz NRPLBZCTKCFIRR-ZWKOTPCHSA-N 2 1 345.531 3.134 20 0 EGADMP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N(CC(C)C)C(C)C)C2)[nH+]1 ZINC000171649173 323244442 /nfs/dbraw/zinc/24/44/42/323244442.db2.gz MHXCLPHRWMDKDI-SFHVURJKSA-N 2 1 346.519 3.017 20 0 EGADMP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000381966293 324248717 /nfs/dbraw/zinc/24/87/17/324248717.db2.gz IOBLMYGEPQDSRP-HNNXBMFYSA-N 2 1 327.513 3.144 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000382623991 324252532 /nfs/dbraw/zinc/25/25/32/324252532.db2.gz MPYAGMAKZHVCMV-IKGGRYGDSA-N 2 1 339.524 3.142 20 0 EGADMP COC1(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCC1 ZINC000384179849 324259377 /nfs/dbraw/zinc/25/93/77/324259377.db2.gz ZBKQJPYTMRQUCU-VAMGGRTRSA-N 2 1 328.500 3.446 20 0 EGADMP COC1(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCC1 ZINC000384179847 324259439 /nfs/dbraw/zinc/25/94/39/324259439.db2.gz ZBKQJPYTMRQUCU-HSALFYBXSA-N 2 1 328.500 3.446 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CCN1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000385881908 324264928 /nfs/dbraw/zinc/26/49/28/324264928.db2.gz BVKLWVLHIHPCLA-FDFHNCONSA-N 2 1 341.543 3.315 20 0 EGADMP C[NH+]1CCCC[C@@H]1CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000385881908 324264932 /nfs/dbraw/zinc/26/49/32/324264932.db2.gz BVKLWVLHIHPCLA-FDFHNCONSA-N 2 1 341.543 3.315 20 0 EGADMP C[NH+]1CCCC[C@@H]1CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000385881908 324264936 /nfs/dbraw/zinc/26/49/36/324264936.db2.gz BVKLWVLHIHPCLA-FDFHNCONSA-N 2 1 341.543 3.315 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000340604830 456566039 /nfs/dbraw/zinc/56/60/39/456566039.db2.gz WFONJNBDQMJNJN-MRXNPFEDSA-N 2 1 332.410 3.048 20 0 EGADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000579676098 325142696 /nfs/dbraw/zinc/14/26/96/325142696.db2.gz DJTXCFYTFSONKF-XMSQKQJNSA-N 2 1 338.495 3.189 20 0 EGADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000579676098 325142700 /nfs/dbraw/zinc/14/27/00/325142700.db2.gz DJTXCFYTFSONKF-XMSQKQJNSA-N 2 1 338.495 3.189 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000580567667 325268609 /nfs/dbraw/zinc/26/86/09/325268609.db2.gz HOKUTWDAZBDPPX-RBUKOAKNSA-N 2 1 331.504 3.051 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](CC2(SC)CCC2)CC1 ZINC000356132733 457474849 /nfs/dbraw/zinc/47/48/49/457474849.db2.gz WCMBGDWOXMYWKN-UHFFFAOYSA-N 2 1 328.566 3.343 20 0 EGADMP CC[C@@H](CCO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183148127 455239149 /nfs/dbraw/zinc/23/91/49/455239149.db2.gz IFAXQHDGVUWBHR-ZIBCJSCZSA-N 2 1 330.516 3.285 20 0 EGADMP CCS[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594495976 459059949 /nfs/dbraw/zinc/05/99/49/459059949.db2.gz GCXZBPHWWZBWCI-OKZBNKHCSA-N 2 1 326.550 3.284 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000496537080 459231551 /nfs/dbraw/zinc/23/15/51/459231551.db2.gz CNTUCDVRRMUPCK-IRXDYDNUSA-N 2 1 341.540 3.057 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc(CO)cc1 ZINC000189961123 455261306 /nfs/dbraw/zinc/26/13/06/455261306.db2.gz FMSHFACXODWZNW-VSOVRNOCSA-N 2 1 338.495 3.425 20 0 EGADMP C[N@@H+](CCOc1cccc(Br)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000525488378 459460111 /nfs/dbraw/zinc/46/01/11/459460111.db2.gz OHJFKMNUJYCDTD-CQSZACIVSA-N 2 1 341.293 3.102 20 0 EGADMP C[NH+](CCOc1cccc(Br)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000525488378 459460116 /nfs/dbraw/zinc/46/01/16/459460116.db2.gz OHJFKMNUJYCDTD-CQSZACIVSA-N 2 1 341.293 3.102 20 0 EGADMP C[NH+](CCOc1cccc(Br)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000525488378 459460121 /nfs/dbraw/zinc/46/01/21/459460121.db2.gz OHJFKMNUJYCDTD-CQSZACIVSA-N 2 1 341.293 3.102 20 0 EGADMP c1cc(OC[C@H]2CCCO2)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000245542476 455325172 /nfs/dbraw/zinc/32/51/72/455325172.db2.gz PUPAMLMNBISAGB-TZIWHRDSSA-N 2 1 344.499 3.162 20 0 EGADMP c1cc(OC[C@H]2CCCO2)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000245542476 455325176 /nfs/dbraw/zinc/32/51/76/455325176.db2.gz PUPAMLMNBISAGB-TZIWHRDSSA-N 2 1 344.499 3.162 20 0 EGADMP [NH3+]Cc1cn([C@H]2CC[N@@H+](Cc3ccc(C4CCCCC4)cc3)C2)nn1 ZINC000631845577 460579516 /nfs/dbraw/zinc/57/95/16/460579516.db2.gz FLHLWEGUSIGTHI-FQEVSTJZSA-N 2 1 339.487 3.232 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccnc1 ZINC000245641247 455347286 /nfs/dbraw/zinc/34/72/86/455347286.db2.gz YOASOBXSZLEITG-IAGOWNOFSA-N 2 1 325.456 3.153 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccnc1 ZINC000245641247 455347290 /nfs/dbraw/zinc/34/72/90/455347290.db2.gz YOASOBXSZLEITG-IAGOWNOFSA-N 2 1 325.456 3.153 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCSCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000600778204 460599906 /nfs/dbraw/zinc/59/99/06/460599906.db2.gz WRLBVNRJGXODSE-GJZGRUSLSA-N 2 1 332.435 3.379 20 0 EGADMP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCC[C@H](C)C1 ZINC000068118748 453999079 /nfs/dbraw/zinc/99/90/79/453999079.db2.gz JBWALWPAGABSLB-ROUUACIJSA-N 2 1 343.515 3.133 20 0 EGADMP CN(C)c1c(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc(F)c1F ZINC000623575338 460621612 /nfs/dbraw/zinc/62/16/12/460621612.db2.gz WGHBYFFQIPAXHF-HNNXBMFYSA-N 2 1 337.458 3.242 20 0 EGADMP CN(C)c1c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)ccc(F)c1F ZINC000623575338 460621615 /nfs/dbraw/zinc/62/16/15/460621615.db2.gz WGHBYFFQIPAXHF-HNNXBMFYSA-N 2 1 337.458 3.242 20 0 EGADMP CN(C)c1c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc(F)c1F ZINC000623575338 460621618 /nfs/dbraw/zinc/62/16/18/460621618.db2.gz WGHBYFFQIPAXHF-HNNXBMFYSA-N 2 1 337.458 3.242 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000245996054 455412025 /nfs/dbraw/zinc/41/20/25/455412025.db2.gz IMMNANQXJYACEA-HQQPKKBNSA-N 2 1 326.843 3.381 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000245996054 455412029 /nfs/dbraw/zinc/41/20/29/455412029.db2.gz IMMNANQXJYACEA-HQQPKKBNSA-N 2 1 326.843 3.381 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000130333902 454190445 /nfs/dbraw/zinc/19/04/45/454190445.db2.gz ZBGPDFCWLWUXSK-BEFAXECRSA-N 2 1 340.458 3.234 20 0 EGADMP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000130526985 454203031 /nfs/dbraw/zinc/20/30/31/454203031.db2.gz JFZVZGFECZYVRV-XLIONFOSSA-N 2 1 345.531 3.121 20 0 EGADMP CC1CC[NH+]([C@H](CN[C@H]2CC[N@@H+](C)C[C@@H]2C)c2ccccc2)CC1 ZINC000131086397 454234154 /nfs/dbraw/zinc/23/41/54/454234154.db2.gz CRQHYIYOCPGFDG-SESVDKBCSA-N 2 1 329.532 3.389 20 0 EGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000131588392 454267444 /nfs/dbraw/zinc/26/74/44/454267444.db2.gz HYARICRSHXPYMU-FGTMMUONSA-N 2 1 345.531 3.358 20 0 EGADMP Clc1ccc(O[C@H]2CC[N@@H+](CCn3ccnc3)C2)cc1Cl ZINC000131716556 454278308 /nfs/dbraw/zinc/27/83/08/454278308.db2.gz MNOUEIPGGURJEF-ZDUSSCGKSA-N 2 1 326.227 3.343 20 0 EGADMP c1ccc(CCOCCC[N@H+]2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000131740307 454281142 /nfs/dbraw/zinc/28/11/42/454281142.db2.gz BNZXABRSHRKPCX-FQEVSTJZSA-N 2 1 326.440 3.184 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000090177944 454289780 /nfs/dbraw/zinc/28/97/80/454289780.db2.gz ZZOQFTABOPRCPO-WMLDXEAASA-N 2 1 340.471 3.231 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000061016142 454324457 /nfs/dbraw/zinc/32/44/57/454324457.db2.gz YOZVGUYSVBOCOH-UHFFFAOYSA-N 2 1 328.403 3.261 20 0 EGADMP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)n(-c2ccccc2)n1 ZINC000090601402 454326143 /nfs/dbraw/zinc/32/61/43/454326143.db2.gz XOXIVCYCTIXIQL-XKGZKEIXSA-N 2 1 338.499 3.328 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CCCO1 ZINC000090857094 454346203 /nfs/dbraw/zinc/34/62/03/454346203.db2.gz JVUPUVSSZCKDND-UXHICEINSA-N 2 1 334.479 3.380 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000132709822 454360080 /nfs/dbraw/zinc/36/00/80/454360080.db2.gz PKHWKMGIKFERFQ-HXUWFJFHSA-N 2 1 327.472 3.245 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000132709822 454360086 /nfs/dbraw/zinc/36/00/86/454360086.db2.gz PKHWKMGIKFERFQ-HXUWFJFHSA-N 2 1 327.472 3.245 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000097115672 454413197 /nfs/dbraw/zinc/41/31/97/454413197.db2.gz RZSLMSIZBGLBMO-AWEZNQCLSA-N 2 1 346.425 3.042 20 0 EGADMP C[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCC[C@H](C)C1 ZINC000063810151 454450410 /nfs/dbraw/zinc/45/04/10/454450410.db2.gz JBWALWPAGABSLB-ZWKOTPCHSA-N 2 1 343.515 3.133 20 0 EGADMP COc1ccc([C@@H]([NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)C(C)C)cc1 ZINC000098144146 454462418 /nfs/dbraw/zinc/46/24/18/454462418.db2.gz AHTFYRXEHCZDIJ-ICSRJNTNSA-N 2 1 334.504 3.075 20 0 EGADMP COC(=O)c1occc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121731506 454470909 /nfs/dbraw/zinc/47/09/09/454470909.db2.gz NOIQVBDRFYGTAC-UHFFFAOYSA-N 2 1 334.460 3.154 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000101516594 454471211 /nfs/dbraw/zinc/47/12/11/454471211.db2.gz LNKACQMDEVNEAC-LJQANCHMSA-N 2 1 331.504 3.133 20 0 EGADMP CC[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000079843673 454488719 /nfs/dbraw/zinc/48/87/19/454488719.db2.gz QZCHFMKZNCRCBR-GOSISDBHSA-N 2 1 343.515 3.021 20 0 EGADMP Cn1cc(CCC[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000103142951 454540106 /nfs/dbraw/zinc/54/01/06/454540106.db2.gz ADZIJZZJJHPQCV-UHFFFAOYSA-N 2 1 340.515 3.197 20 0 EGADMP C[N@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253682 454542453 /nfs/dbraw/zinc/54/24/53/454542453.db2.gz MYTUNUUYVTZBHQ-ICSRJNTNSA-N 2 1 332.488 3.018 20 0 EGADMP C[NH+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253682 454542457 /nfs/dbraw/zinc/54/24/57/454542457.db2.gz MYTUNUUYVTZBHQ-ICSRJNTNSA-N 2 1 332.488 3.018 20 0 EGADMP C[NH+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253682 454542461 /nfs/dbraw/zinc/54/24/61/454542461.db2.gz MYTUNUUYVTZBHQ-ICSRJNTNSA-N 2 1 332.488 3.018 20 0 EGADMP CCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000246247540 455457156 /nfs/dbraw/zinc/45/71/56/455457156.db2.gz NNZZVLPWULTDSF-SJORKVTESA-N 2 1 331.504 3.065 20 0 EGADMP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080338877 454568709 /nfs/dbraw/zinc/56/87/09/454568709.db2.gz RUDPODPCTNWVKH-DNVCBOLYSA-N 2 1 326.488 3.180 20 0 EGADMP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080338877 454568712 /nfs/dbraw/zinc/56/87/12/454568712.db2.gz RUDPODPCTNWVKH-DNVCBOLYSA-N 2 1 326.488 3.180 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191171484 455457232 /nfs/dbraw/zinc/45/72/32/455457232.db2.gz ZSYBSLYQXLENHY-QGZVFWFLSA-N 2 1 349.567 3.015 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cnc(C4CC4)s3)CC2)C[C@H](C)O1 ZINC000092587523 454591337 /nfs/dbraw/zinc/59/13/37/454591337.db2.gz XBKHQLLFDGPCCG-GASCZTMLSA-N 2 1 349.544 3.342 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)CC3 ZINC000123048766 454596250 /nfs/dbraw/zinc/59/62/50/454596250.db2.gz JXTROVFLKSZCPK-OAHLLOKOSA-N 2 1 339.483 3.250 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134866435 454601367 /nfs/dbraw/zinc/60/13/67/454601367.db2.gz UBPDCDMFMODMJV-JRBPQWBISA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134866435 454601368 /nfs/dbraw/zinc/60/13/68/454601368.db2.gz UBPDCDMFMODMJV-JRBPQWBISA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134866435 454601371 /nfs/dbraw/zinc/60/13/71/454601371.db2.gz UBPDCDMFMODMJV-JRBPQWBISA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134866435 454601374 /nfs/dbraw/zinc/60/13/74/454601374.db2.gz UBPDCDMFMODMJV-JRBPQWBISA-N 2 1 347.547 3.115 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)s1 ZINC000092746325 454623547 /nfs/dbraw/zinc/62/35/47/454623547.db2.gz CSWITFUJXQXBLL-GOEBONIOSA-N 2 1 339.549 3.411 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000092745674 454624188 /nfs/dbraw/zinc/62/41/88/454624188.db2.gz NJWUAHPTYRSLKS-SJLPKXTDSA-N 2 1 327.447 3.436 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000092745674 454624191 /nfs/dbraw/zinc/62/41/91/454624191.db2.gz NJWUAHPTYRSLKS-SJLPKXTDSA-N 2 1 327.447 3.436 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000052209106 454661036 /nfs/dbraw/zinc/66/10/36/454661036.db2.gz AWLKVBGFAAUYIX-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](COC)Cc2ccccc2)c1 ZINC000123945742 454688817 /nfs/dbraw/zinc/68/88/17/454688817.db2.gz TXXWOAUKIAAXHU-OAQYLSRUSA-N 2 1 326.484 3.486 20 0 EGADMP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000635004631 460648671 /nfs/dbraw/zinc/64/86/71/460648671.db2.gz JJDSFQUCMCNZFW-OSYHSXPHSA-N 3 1 327.516 3.289 20 0 EGADMP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000635004631 460648678 /nfs/dbraw/zinc/64/86/78/460648678.db2.gz JJDSFQUCMCNZFW-OSYHSXPHSA-N 2 1 327.516 3.289 20 0 EGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000106544744 454700522 /nfs/dbraw/zinc/70/05/22/454700522.db2.gz PTLAIELWVFLSBA-YYIAUSFCSA-N 2 1 347.507 3.013 20 0 EGADMP COC[C@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093337820 454703777 /nfs/dbraw/zinc/70/37/77/454703777.db2.gz URUAJTGEBZUNIP-SFHVURJKSA-N 2 1 345.531 3.075 20 0 EGADMP COCCCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093604609 454724110 /nfs/dbraw/zinc/72/41/10/454724110.db2.gz VKAGAXCWBJHWLF-IBGZPJMESA-N 2 1 332.488 3.020 20 0 EGADMP COCCCOc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093604609 454724115 /nfs/dbraw/zinc/72/41/15/454724115.db2.gz VKAGAXCWBJHWLF-IBGZPJMESA-N 2 1 332.488 3.020 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1CCOCC1 ZINC000124653909 454756940 /nfs/dbraw/zinc/75/69/40/454756940.db2.gz WPQQKGOQQCUPJA-KSZLIROESA-N 2 1 346.515 3.201 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124687754 454760588 /nfs/dbraw/zinc/76/05/88/454760588.db2.gz DSUNOAMJWIFKFP-MYTGEXCLSA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000124687754 454760593 /nfs/dbraw/zinc/76/05/93/454760593.db2.gz DSUNOAMJWIFKFP-MYTGEXCLSA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000124687754 454760594 /nfs/dbraw/zinc/76/05/94/454760594.db2.gz DSUNOAMJWIFKFP-MYTGEXCLSA-N 2 1 329.532 3.215 20 0 EGADMP CCCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124851567 454776011 /nfs/dbraw/zinc/77/60/11/454776011.db2.gz IQCVTQRIOYNNIB-RBUKOAKNSA-N 2 1 337.552 3.362 20 0 EGADMP CN(C(=O)c1ccccc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124850459 454776381 /nfs/dbraw/zinc/77/63/81/454776381.db2.gz XMENNROERFNTOI-PMACEKPBSA-N 2 1 343.515 3.096 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCC[C@@H]4OCC[C@@H]43)CC2)cc1 ZINC000124937666 454784126 /nfs/dbraw/zinc/78/41/26/454784126.db2.gz CSIGOTOCEVAZIM-HKBOAZHASA-N 2 1 346.490 3.380 20 0 EGADMP CN(C[C@@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC000153393268 454788967 /nfs/dbraw/zinc/78/89/67/454788967.db2.gz XVDQHIDRLUYFJY-KRWDZBQOSA-N 2 1 339.524 3.051 20 0 EGADMP Brc1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)C2 ZINC000110821659 454853893 /nfs/dbraw/zinc/85/38/93/454853893.db2.gz ZHTYWTJDUVSKFH-GUYCJALGSA-N 2 1 349.316 3.380 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000126033663 454865298 /nfs/dbraw/zinc/86/52/98/454865298.db2.gz ZHKYDUQUGNPVSB-BEFAXECRSA-N 2 1 329.488 3.245 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000126033663 454865302 /nfs/dbraw/zinc/86/53/02/454865302.db2.gz ZHKYDUQUGNPVSB-BEFAXECRSA-N 2 1 329.488 3.245 20 0 EGADMP C[C@@H](CC1CC1)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163964363 454870053 /nfs/dbraw/zinc/87/00/53/454870053.db2.gz HRCUXHONEMJLHW-KRWDZBQOSA-N 2 1 346.515 3.454 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3cc(OC)ccc32)CC1 ZINC000154530110 454905033 /nfs/dbraw/zinc/90/50/33/454905033.db2.gz BICAULUQGTUNFZ-NRFANRHFSA-N 2 1 345.531 3.080 20 0 EGADMP FC(F)(F)COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000126645566 454908019 /nfs/dbraw/zinc/90/80/19/454908019.db2.gz PIMKWQXFFLKFDP-LSDHHAIUSA-N 2 1 328.378 3.344 20 0 EGADMP FC(F)(F)COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000126645566 454908024 /nfs/dbraw/zinc/90/80/24/454908024.db2.gz PIMKWQXFFLKFDP-LSDHHAIUSA-N 2 1 328.378 3.344 20 0 EGADMP COCC[NH+]1CCC(N[C@@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000154833555 454934441 /nfs/dbraw/zinc/93/44/41/454934441.db2.gz SKHAGWMQJLOTJT-AWEZNQCLSA-N 2 1 342.430 3.358 20 0 EGADMP COc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc(OC)c1O ZINC000154864033 454937542 /nfs/dbraw/zinc/93/75/42/454937542.db2.gz NJSGAFGJLOHQJM-UHFFFAOYSA-N 2 1 348.487 3.296 20 0 EGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCCO2 ZINC000178253895 454944297 /nfs/dbraw/zinc/94/42/97/454944297.db2.gz FVTMQASLRFHIRY-IBGZPJMESA-N 2 1 330.472 3.373 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000178424896 454954141 /nfs/dbraw/zinc/95/41/41/454954141.db2.gz PXNMDYSBGQCMFU-DVOMOZLQSA-N 2 1 325.294 3.310 20 0 EGADMP OC1CC[NH+](CCC[NH2+][C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000178520869 454959512 /nfs/dbraw/zinc/95/95/12/454959512.db2.gz PSRRPLYQMLWIAT-JOCHJYFZSA-N 2 1 338.495 3.407 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1C(F)(F)F ZINC000178521456 454959525 /nfs/dbraw/zinc/95/95/25/454959525.db2.gz LSISYKPPDCAIQP-ZDUSSCGKSA-N 2 1 330.394 3.203 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000156067963 455078073 /nfs/dbraw/zinc/07/80/73/455078073.db2.gz ZQBHAXGZQUDLRW-LJQANCHMSA-N 2 1 331.504 3.133 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000152390377 455111767 /nfs/dbraw/zinc/11/17/67/455111767.db2.gz FHQNWQUPGSFQOR-HUUCEWRRSA-N 2 1 342.487 3.105 20 0 EGADMP CCNC(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000156463178 455121220 /nfs/dbraw/zinc/12/12/20/455121220.db2.gz NKZRHMDWWGPIEW-UHFFFAOYSA-N 2 1 343.515 3.323 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CCOC[C@@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000152584951 455140157 /nfs/dbraw/zinc/14/01/57/455140157.db2.gz DSJMZTMSCDXXCT-NRSPTQNISA-N 2 1 346.515 3.167 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CCOC[C@@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000152584951 455140160 /nfs/dbraw/zinc/14/01/60/455140160.db2.gz DSJMZTMSCDXXCT-NRSPTQNISA-N 2 1 346.515 3.167 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)CCOC[C@@H]2CCCO2)CC[NH+]1Cc1ccccc1 ZINC000152584951 455140163 /nfs/dbraw/zinc/14/01/63/455140163.db2.gz DSJMZTMSCDXXCT-NRSPTQNISA-N 2 1 346.515 3.167 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)CCOC[C@@H]2CCCO2)CC[NH+]1Cc1ccccc1 ZINC000152584951 455140166 /nfs/dbraw/zinc/14/01/66/455140166.db2.gz DSJMZTMSCDXXCT-NRSPTQNISA-N 2 1 346.515 3.167 20 0 EGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[C@H]2CCO[C@@H]21 ZINC000180167196 455143513 /nfs/dbraw/zinc/14/35/13/455143513.db2.gz LGWGMPBKMLWYLR-ONCDUWEWSA-N 2 1 340.511 3.300 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3CC[C@H]([NH2+][C@@H]4CCC[C@H]5OCC[C@@H]54)[C@@H]3C2)cc1 ZINC000180170823 455144209 /nfs/dbraw/zinc/14/42/09/455144209.db2.gz ICQYBUFWEZXHNB-PYXMZCFHSA-N 2 1 340.511 3.444 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000237508112 455190588 /nfs/dbraw/zinc/19/05/88/455190588.db2.gz PBIOFDMTLNCJEG-WSTZPKSXSA-N 2 1 345.531 3.341 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000264382644 455201896 /nfs/dbraw/zinc/20/18/96/455201896.db2.gz PIXMFPUFTUNJIP-ZDUSSCGKSA-N 2 1 349.862 3.432 20 0 EGADMP CC(C)OC(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000173491360 455292901 /nfs/dbraw/zinc/29/29/01/455292901.db2.gz BJTZPZODNVSTCT-PKOBYXMFSA-N 2 1 332.488 3.313 20 0 EGADMP CC(C)OC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000173491360 455292905 /nfs/dbraw/zinc/29/29/05/455292905.db2.gz BJTZPZODNVSTCT-PKOBYXMFSA-N 2 1 332.488 3.313 20 0 EGADMP CC(C)OC(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000173491360 455292912 /nfs/dbraw/zinc/29/29/12/455292912.db2.gz BJTZPZODNVSTCT-PKOBYXMFSA-N 2 1 332.488 3.313 20 0 EGADMP CC(C)OC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000173491360 455292918 /nfs/dbraw/zinc/29/29/18/455292918.db2.gz BJTZPZODNVSTCT-PKOBYXMFSA-N 2 1 332.488 3.313 20 0 EGADMP CC1(C)[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)[C@@H]2CCCO[C@@H]21 ZINC000181436747 455334106 /nfs/dbraw/zinc/33/41/06/455334106.db2.gz IVRJJDFJKARXJZ-ZCNNSNEGSA-N 2 1 328.500 3.228 20 0 EGADMP CC1(C)[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)[C@@H]2CCCO[C@@H]21 ZINC000181436747 455334110 /nfs/dbraw/zinc/33/41/10/455334110.db2.gz IVRJJDFJKARXJZ-ZCNNSNEGSA-N 2 1 328.500 3.228 20 0 EGADMP Cc1cc(C)n(CC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000265658803 455357767 /nfs/dbraw/zinc/35/77/67/455357767.db2.gz RLNRKGSSNBWLJC-GHTZIAJQSA-N 2 1 340.515 3.485 20 0 EGADMP Cc1cc(C)n(CC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000265658803 455357770 /nfs/dbraw/zinc/35/77/70/455357770.db2.gz RLNRKGSSNBWLJC-GHTZIAJQSA-N 2 1 340.515 3.485 20 0 EGADMP Cc1cc(C)n(CC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000265658803 455357772 /nfs/dbraw/zinc/35/77/72/455357772.db2.gz RLNRKGSSNBWLJC-GHTZIAJQSA-N 2 1 340.515 3.485 20 0 EGADMP Cc1cc(C)n(CC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000265658803 455357775 /nfs/dbraw/zinc/35/77/75/455357775.db2.gz RLNRKGSSNBWLJC-GHTZIAJQSA-N 2 1 340.515 3.485 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000159187611 455359302 /nfs/dbraw/zinc/35/93/02/455359302.db2.gz AQVOHVQNJCTSSF-HNNXBMFYSA-N 2 1 337.483 3.043 20 0 EGADMP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181687352 455372179 /nfs/dbraw/zinc/37/21/79/455372179.db2.gz FMENDGNLYWUOOC-KZNAEPCWSA-N 2 1 335.536 3.020 20 0 EGADMP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000190910824 455403455 /nfs/dbraw/zinc/40/34/55/455403455.db2.gz MVKOZDFHSXVTLK-HNNXBMFYSA-N 2 1 331.485 3.154 20 0 EGADMP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000190910824 455403457 /nfs/dbraw/zinc/40/34/57/455403457.db2.gz MVKOZDFHSXVTLK-HNNXBMFYSA-N 2 1 331.485 3.154 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000182257053 455473448 /nfs/dbraw/zinc/47/34/48/455473448.db2.gz VQYBYGLOHBPJQD-FCHUYYIVSA-N 2 1 336.479 3.494 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000191483470 455488388 /nfs/dbraw/zinc/48/83/88/455488388.db2.gz HVVFFIMUJQLMDL-ADKAHSJRSA-N 2 1 348.535 3.241 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000191483470 455488392 /nfs/dbraw/zinc/48/83/92/455488392.db2.gz HVVFFIMUJQLMDL-ADKAHSJRSA-N 2 1 348.535 3.241 20 0 EGADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C2CCOCC2)CC1 ZINC000267002749 455491444 /nfs/dbraw/zinc/49/14/44/455491444.db2.gz DISSKYPPVFSJHD-UHFFFAOYSA-N 2 1 331.847 3.189 20 0 EGADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000191803331 455521393 /nfs/dbraw/zinc/52/13/93/455521393.db2.gz KABBZHOZLHWNCJ-UHFFFAOYSA-N 2 1 345.531 3.055 20 0 EGADMP C[C@H](C(=O)NCC1CCCCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247026989 455546850 /nfs/dbraw/zinc/54/68/50/455546850.db2.gz YDIPTMCRSMYJIF-IMFGXOCKSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000247119862 455561580 /nfs/dbraw/zinc/56/15/80/455561580.db2.gz RAVWHMPNAXHMPI-HZPDHXFCSA-N 2 1 344.503 3.353 20 0 EGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000247126901 455562588 /nfs/dbraw/zinc/56/25/88/455562588.db2.gz NFOOFIIFAYSWBY-MOPGFXCFSA-N 2 1 344.503 3.147 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000247126901 455562591 /nfs/dbraw/zinc/56/25/91/455562591.db2.gz NFOOFIIFAYSWBY-MOPGFXCFSA-N 2 1 344.503 3.147 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000247126901 455562596 /nfs/dbraw/zinc/56/25/96/455562596.db2.gz NFOOFIIFAYSWBY-MOPGFXCFSA-N 2 1 344.503 3.147 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000247126901 455562599 /nfs/dbraw/zinc/56/25/99/455562599.db2.gz NFOOFIIFAYSWBY-MOPGFXCFSA-N 2 1 344.503 3.147 20 0 EGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000247220484 455574360 /nfs/dbraw/zinc/57/43/60/455574360.db2.gz VXBIFAPMOUCTCP-ZWKOTPCHSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000247220484 455574363 /nfs/dbraw/zinc/57/43/63/455574363.db2.gz VXBIFAPMOUCTCP-ZWKOTPCHSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000247220484 455574364 /nfs/dbraw/zinc/57/43/64/455574364.db2.gz VXBIFAPMOUCTCP-ZWKOTPCHSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000247220484 455574365 /nfs/dbraw/zinc/57/43/65/455574365.db2.gz VXBIFAPMOUCTCP-ZWKOTPCHSA-N 2 1 332.488 3.400 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1)C(C)C ZINC000247270359 455581247 /nfs/dbraw/zinc/58/12/47/455581247.db2.gz FLXIDMCLPWUUJO-YLJYHZDGSA-N 2 1 345.531 3.329 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1)C(C)C ZINC000247270359 455581252 /nfs/dbraw/zinc/58/12/52/455581252.db2.gz FLXIDMCLPWUUJO-YLJYHZDGSA-N 2 1 345.531 3.329 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1)C(C)C ZINC000247270359 455581256 /nfs/dbraw/zinc/58/12/56/455581256.db2.gz FLXIDMCLPWUUJO-YLJYHZDGSA-N 2 1 345.531 3.329 20 0 EGADMP CC(C)N(C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000185690943 455598610 /nfs/dbraw/zinc/59/86/10/455598610.db2.gz OINDJCVBPSBNEQ-FGTMMUONSA-N 2 1 337.552 3.263 20 0 EGADMP CC(C)N(C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000185690943 455598612 /nfs/dbraw/zinc/59/86/12/455598612.db2.gz OINDJCVBPSBNEQ-FGTMMUONSA-N 2 1 337.552 3.263 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185708436 455602268 /nfs/dbraw/zinc/60/22/68/455602268.db2.gz CFJCKUNZRCHDPD-GLJUWKHASA-N 2 1 338.442 3.241 20 0 EGADMP C[C@@H](NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000185707096 455602327 /nfs/dbraw/zinc/60/23/27/455602327.db2.gz UYOPORWZIGBLDX-ZHALLVOQSA-N 2 1 343.515 3.106 20 0 EGADMP C[C@@H](NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000185707096 455602328 /nfs/dbraw/zinc/60/23/28/455602328.db2.gz UYOPORWZIGBLDX-ZHALLVOQSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)(CCCO)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000271338914 455603361 /nfs/dbraw/zinc/60/33/61/455603361.db2.gz CBVVIFCXNSEYKD-UHFFFAOYSA-N 2 1 336.495 3.221 20 0 EGADMP COC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185756245 455615758 /nfs/dbraw/zinc/61/57/58/455615758.db2.gz PDWMBCIASWDMFG-MAUKXSAKSA-N 2 1 330.472 3.216 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000271425993 455631842 /nfs/dbraw/zinc/63/18/42/455631842.db2.gz BHPQTPHIOWZFAZ-NEWSRXKRSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000271425993 455631846 /nfs/dbraw/zinc/63/18/46/455631846.db2.gz BHPQTPHIOWZFAZ-NEWSRXKRSA-N 2 1 343.515 3.029 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000271471524 455649680 /nfs/dbraw/zinc/64/96/80/455649680.db2.gz IJBBDOQZWIQVDH-LMCOJAPRSA-N 2 1 341.503 3.027 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000271471524 455649682 /nfs/dbraw/zinc/64/96/82/455649682.db2.gz IJBBDOQZWIQVDH-LMCOJAPRSA-N 2 1 341.503 3.027 20 0 EGADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000186154709 455704948 /nfs/dbraw/zinc/70/49/48/455704948.db2.gz CYNAAPWXGKFSDE-HXUWFJFHSA-N 2 1 329.532 3.298 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](Cc2ccccc2C)C2CC2)CC1 ZINC000284550656 455704928 /nfs/dbraw/zinc/70/49/28/455704928.db2.gz XWIVRRYZSPXHKR-QFIPXVFZSA-N 2 1 343.559 3.323 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@@H](CC)[C@@H](O)c2c(F)cccc2F)CC1 ZINC000271652618 455712160 /nfs/dbraw/zinc/71/21/60/455712160.db2.gz BPMULISWJCPGAJ-FUHWJXTLSA-N 2 1 326.431 3.241 20 0 EGADMP COc1ccsc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000186283538 455733806 /nfs/dbraw/zinc/73/38/06/455733806.db2.gz VDXWFRSXFWLYPD-YOEHRIQHSA-N 2 1 346.496 3.174 20 0 EGADMP CCC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(OC)cc1 ZINC000268938961 455736476 /nfs/dbraw/zinc/73/64/76/455736476.db2.gz SGXNATZVKRGTAT-AZUAARDMSA-N 2 1 334.504 3.363 20 0 EGADMP CC(C)c1nc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cs1 ZINC000186331803 455744737 /nfs/dbraw/zinc/74/47/37/455744737.db2.gz REWSYSOGFKSUTK-LSDHHAIUSA-N 2 1 325.522 3.154 20 0 EGADMP COc1cc([C@H](C)NCC[C@@H]2CCCC[N@H+]2C)cc(OC)c1OC ZINC000271837799 455781660 /nfs/dbraw/zinc/78/16/60/455781660.db2.gz XYUOENULIYOFEY-HOCLYGCPSA-N 2 1 336.476 3.237 20 0 EGADMP COc1cc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cc(OC)c1OC ZINC000271837799 455781665 /nfs/dbraw/zinc/78/16/65/455781665.db2.gz XYUOENULIYOFEY-HOCLYGCPSA-N 2 1 336.476 3.237 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)N2CCCc3ccccc32)CC1 ZINC000285118523 455791809 /nfs/dbraw/zinc/79/18/09/455791809.db2.gz RQYAYNFTSBQBNU-UHFFFAOYSA-N 2 1 343.515 3.161 20 0 EGADMP c1ccc2c(c1)NCCC[C@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000278363840 455829558 /nfs/dbraw/zinc/82/95/58/455829558.db2.gz BQOWOHFJLRRHQD-LJQANCHMSA-N 2 1 329.488 3.168 20 0 EGADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000285545622 455866760 /nfs/dbraw/zinc/86/67/60/455866760.db2.gz GFKBOQLPLJJSGR-FQEVSTJZSA-N 2 1 325.456 3.058 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000617001264 460698103 /nfs/dbraw/zinc/69/81/03/460698103.db2.gz LIGYQYGCKCUMKM-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000617001264 460698112 /nfs/dbraw/zinc/69/81/12/460698112.db2.gz LIGYQYGCKCUMKM-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000617001264 460698117 /nfs/dbraw/zinc/69/81/17/460698117.db2.gz LIGYQYGCKCUMKM-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000285638720 455887580 /nfs/dbraw/zinc/88/75/80/455887580.db2.gz ZEVRZJINXKLBSF-OAQYLSRUSA-N 2 1 346.515 3.123 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000261400084 455903115 /nfs/dbraw/zinc/90/31/15/455903115.db2.gz FSZYAHFQSINLQJ-LEWJYISDSA-N 2 1 326.484 3.466 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000261400084 455903116 /nfs/dbraw/zinc/90/31/16/455903116.db2.gz FSZYAHFQSINLQJ-LEWJYISDSA-N 2 1 326.484 3.466 20 0 EGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261619931 455915127 /nfs/dbraw/zinc/91/51/27/455915127.db2.gz GGYRMEHXHFRZJP-JSGCOSHPSA-N 2 1 328.287 3.034 20 0 EGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261619931 455915133 /nfs/dbraw/zinc/91/51/33/455915133.db2.gz GGYRMEHXHFRZJP-JSGCOSHPSA-N 2 1 328.287 3.034 20 0 EGADMP C[C@@H](NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272385155 455933791 /nfs/dbraw/zinc/93/37/91/455933791.db2.gz WYYJGJMCYBIQGY-NQIIRXRSSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272385155 455933794 /nfs/dbraw/zinc/93/37/94/455933794.db2.gz WYYJGJMCYBIQGY-NQIIRXRSSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272385155 455933798 /nfs/dbraw/zinc/93/37/98/455933798.db2.gz WYYJGJMCYBIQGY-NQIIRXRSSA-N 3 1 341.543 3.361 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)ccc1OCc1ccccc1 ZINC000261724396 455936062 /nfs/dbraw/zinc/93/60/62/455936062.db2.gz NRVJCIMTOMIOBZ-OAQYLSRUSA-N 2 1 340.467 3.445 20 0 EGADMP COc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1OCc1ccccc1 ZINC000261724396 455936066 /nfs/dbraw/zinc/93/60/66/455936066.db2.gz NRVJCIMTOMIOBZ-OAQYLSRUSA-N 2 1 340.467 3.445 20 0 EGADMP CCN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000261731076 455936653 /nfs/dbraw/zinc/93/66/53/455936653.db2.gz KWHMWFUMVMEUOK-IJXRJRJASA-N 2 1 343.515 3.188 20 0 EGADMP COc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)ccc1OC(F)F ZINC000261739580 455938271 /nfs/dbraw/zinc/93/82/71/455938271.db2.gz SROPNSKSILVULZ-AWEZNQCLSA-N 2 1 340.414 3.261 20 0 EGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000261807880 455952372 /nfs/dbraw/zinc/95/23/72/455952372.db2.gz OOJZHYSSJHVLRR-MRXNPFEDSA-N 2 1 338.377 3.062 20 0 EGADMP Cc1ccnc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000285980966 455953588 /nfs/dbraw/zinc/95/35/88/455953588.db2.gz HRDASBLLJMLHDH-ZWKOTPCHSA-N 2 1 339.483 3.462 20 0 EGADMP Cc1ccnc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000285980966 455953590 /nfs/dbraw/zinc/95/35/90/455953590.db2.gz HRDASBLLJMLHDH-ZWKOTPCHSA-N 2 1 339.483 3.462 20 0 EGADMP C[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000261939931 455974622 /nfs/dbraw/zinc/97/46/22/455974622.db2.gz DOCBTNUPTPIADK-GDBMZVCRSA-N 2 1 339.277 3.204 20 0 EGADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000261939931 455974627 /nfs/dbraw/zinc/97/46/27/455974627.db2.gz DOCBTNUPTPIADK-GDBMZVCRSA-N 2 1 339.277 3.204 20 0 EGADMP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261956951 455977276 /nfs/dbraw/zinc/97/72/76/455977276.db2.gz PAIHIZVQFFEJJV-JKJDWNRSSA-N 2 1 334.426 3.102 20 0 EGADMP CC[C@H](C)NC(=O)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286165588 455991801 /nfs/dbraw/zinc/99/18/01/455991801.db2.gz QBVHUASLLKZPNI-KKXNLOMOSA-N 2 1 345.531 3.324 20 0 EGADMP Cc1nccn1C[C@H](C)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272552992 455991815 /nfs/dbraw/zinc/99/18/15/455991815.db2.gz SUTYRUGQTMHDEG-DBXWQHBBSA-N 2 1 340.515 3.328 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272552992 455991825 /nfs/dbraw/zinc/99/18/25/455991825.db2.gz SUTYRUGQTMHDEG-DBXWQHBBSA-N 3 1 340.515 3.328 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272552992 455991831 /nfs/dbraw/zinc/99/18/31/455991831.db2.gz SUTYRUGQTMHDEG-DBXWQHBBSA-N 3 1 340.515 3.328 20 0 EGADMP Cc1ccc(-c2cccc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)c2)cc1 ZINC000262150121 456004566 /nfs/dbraw/zinc/00/45/66/456004566.db2.gz RCGKTJCTSCJSQQ-JOCHJYFZSA-N 2 1 335.495 3.142 20 0 EGADMP C[C@@H](Cc1ccccc1F)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000188189551 456016792 /nfs/dbraw/zinc/01/67/92/456016792.db2.gz JPDGTCIBGGCENO-KRWDZBQOSA-N 2 1 334.479 3.381 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000286299357 456019407 /nfs/dbraw/zinc/01/94/07/456019407.db2.gz WOZLGXGQHYGNLS-TUFLPTIASA-N 2 1 328.500 3.303 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@H]2Cc3ccccc3[C@H]2O)C1 ZINC000270842233 456051709 /nfs/dbraw/zinc/05/17/09/456051709.db2.gz VTUIYPCHGYGMOJ-SQBLYHGDSA-N 2 1 328.500 3.231 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@H]2Cc3ccccc3[C@H]2O)C1 ZINC000270842233 456051711 /nfs/dbraw/zinc/05/17/11/456051711.db2.gz VTUIYPCHGYGMOJ-SQBLYHGDSA-N 2 1 328.500 3.231 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@H]2Cc3ccccc3[C@H]2O)C1 ZINC000270842233 456051713 /nfs/dbraw/zinc/05/17/13/456051713.db2.gz VTUIYPCHGYGMOJ-SQBLYHGDSA-N 2 1 328.500 3.231 20 0 EGADMP Cc1ccncc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000272730669 456054727 /nfs/dbraw/zinc/05/47/27/456054727.db2.gz IJVZIFXBNRRKHN-FXAWDEMLSA-N 2 1 339.483 3.198 20 0 EGADMP Clc1ccc2[nH+]ccc(N3CCC[C@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000301407374 456109160 /nfs/dbraw/zinc/10/91/60/456109160.db2.gz VRHPSCLEOZUDMW-OAHLLOKOSA-N 2 1 345.874 3.437 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000301514018 456135675 /nfs/dbraw/zinc/13/56/75/456135675.db2.gz HMLBEVPWUPSKMS-YLFCFFPRSA-N 2 1 337.508 3.039 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000301514018 456135681 /nfs/dbraw/zinc/13/56/81/456135681.db2.gz HMLBEVPWUPSKMS-YLFCFFPRSA-N 2 1 337.508 3.039 20 0 EGADMP CC(C)C[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000236704066 456171607 /nfs/dbraw/zinc/17/16/07/456171607.db2.gz XFAPQPIXTNRFMZ-LPHOPBHVSA-N 2 1 331.504 3.051 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000271208147 456173208 /nfs/dbraw/zinc/17/32/08/456173208.db2.gz GVXSRDQZHDUMAD-SFHVURJKSA-N 2 1 339.487 3.135 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)c1 ZINC000236727497 456176600 /nfs/dbraw/zinc/17/66/00/456176600.db2.gz SGNOCJIFEIXGCX-NRFANRHFSA-N 2 1 345.531 3.315 20 0 EGADMP CCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000236784064 456183273 /nfs/dbraw/zinc/18/32/73/456183273.db2.gz JLYOIQDNLYQREA-FQEVSTJZSA-N 2 1 339.483 3.002 20 0 EGADMP Cc1cc([C@H](C)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)no1 ZINC000289951520 456192140 /nfs/dbraw/zinc/19/21/40/456192140.db2.gz WOARDEPRJSMNJK-BBWFWOEESA-N 2 1 343.471 3.443 20 0 EGADMP Cc1cc([C@H](C)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)no1 ZINC000289951520 456192147 /nfs/dbraw/zinc/19/21/47/456192147.db2.gz WOARDEPRJSMNJK-BBWFWOEESA-N 2 1 343.471 3.443 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)c1 ZINC000236876164 456195523 /nfs/dbraw/zinc/19/55/23/456195523.db2.gz AETMOGOHFKKNTA-HXUWFJFHSA-N 2 1 339.483 3.235 20 0 EGADMP Cc1cc(C)n(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340184740 456297271 /nfs/dbraw/zinc/29/72/71/456297271.db2.gz ULCDUIMNRUMQDZ-WOJBJXKFSA-N 2 1 326.488 3.315 20 0 EGADMP Cc1cc(C)n(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340184740 456297277 /nfs/dbraw/zinc/29/72/77/456297277.db2.gz ULCDUIMNRUMQDZ-WOJBJXKFSA-N 2 1 326.488 3.315 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNCc2ncc(CN(C)C)s2)C1 ZINC000352786785 456307011 /nfs/dbraw/zinc/30/70/11/456307011.db2.gz JOEWZHISFMAGHQ-OAHLLOKOSA-N 2 1 338.565 3.195 20 0 EGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352786785 456307016 /nfs/dbraw/zinc/30/70/16/456307016.db2.gz JOEWZHISFMAGHQ-OAHLLOKOSA-N 2 1 338.565 3.195 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1OC(C)C ZINC000290434544 456327763 /nfs/dbraw/zinc/32/77/63/456327763.db2.gz LMRABXKUVYWESS-QZTJIDSGSA-N 2 1 332.488 3.399 20 0 EGADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1OC(C)C ZINC000290434544 456327772 /nfs/dbraw/zinc/32/77/72/456327772.db2.gz LMRABXKUVYWESS-QZTJIDSGSA-N 2 1 332.488 3.399 20 0 EGADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1OC(C)C ZINC000290434544 456327779 /nfs/dbraw/zinc/32/77/79/456327779.db2.gz LMRABXKUVYWESS-QZTJIDSGSA-N 2 1 332.488 3.399 20 0 EGADMP Cc1[nH+]c2ccccc2c(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1C ZINC000302482780 456347916 /nfs/dbraw/zinc/34/79/16/456347916.db2.gz HBJWLAOAEVBRMO-CQSZACIVSA-N 2 1 327.472 3.133 20 0 EGADMP CC1CC[NH+](CCN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000352834881 456350382 /nfs/dbraw/zinc/35/03/82/456350382.db2.gz XPQDICOVZWXSPA-JOCHJYFZSA-N 2 1 341.543 3.316 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000290534371 456356651 /nfs/dbraw/zinc/35/66/51/456356651.db2.gz VMECDDYYLYAMEQ-MRXNPFEDSA-N 2 1 341.503 3.434 20 0 EGADMP CCN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000276087720 456386177 /nfs/dbraw/zinc/38/61/77/456386177.db2.gz JNJXYEAFSJRMKU-UHFFFAOYSA-N 2 1 348.535 3.010 20 0 EGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)CCn2cc[nH+]c2C(C)C)c1 ZINC000340337474 456399174 /nfs/dbraw/zinc/39/91/74/456399174.db2.gz RAWJWXQYKPADDH-UHFFFAOYSA-N 2 1 328.460 3.405 20 0 EGADMP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000282191625 456438750 /nfs/dbraw/zinc/43/87/50/456438750.db2.gz NIZTUVQZVYGVKP-JRGCBEDISA-N 2 1 346.515 3.202 20 0 EGADMP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000282191625 456438755 /nfs/dbraw/zinc/43/87/55/456438755.db2.gz NIZTUVQZVYGVKP-JRGCBEDISA-N 2 1 346.515 3.202 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCN2CCCCC2=O)cc1 ZINC000348033296 456440279 /nfs/dbraw/zinc/44/02/79/456440279.db2.gz YOGJAPSUDJLDCT-MRXNPFEDSA-N 2 1 340.471 3.234 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000353026435 456446577 /nfs/dbraw/zinc/44/65/77/456446577.db2.gz KSQMTFRYKHTDCP-MOPGFXCFSA-N 2 1 340.552 3.262 20 0 EGADMP Cc1nc(COc2ccc(C[NH2+]CCn3cc[nH+]c3C)cc2)cs1 ZINC000340439844 456463438 /nfs/dbraw/zinc/46/34/38/456463438.db2.gz NAZHPPVLFDRJDQ-UHFFFAOYSA-N 2 1 342.468 3.325 20 0 EGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)CCS2 ZINC000282338898 456480777 /nfs/dbraw/zinc/48/07/77/456480777.db2.gz OSLCNGAJFQRIPP-SFHVURJKSA-N 2 1 347.572 3.456 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)CC[N@H+]1C ZINC000340517243 456503860 /nfs/dbraw/zinc/50/38/60/456503860.db2.gz ZSBBGOPDQOAQQN-GOEBONIOSA-N 2 1 334.533 3.126 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000340604830 456566032 /nfs/dbraw/zinc/56/60/32/456566032.db2.gz WFONJNBDQMJNJN-MRXNPFEDSA-N 2 1 332.410 3.048 20 0 EGADMP C[C@@H]([NH2+]CCCOCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310474111 456584223 /nfs/dbraw/zinc/58/42/23/456584223.db2.gz CEPJDEVYIBUTHU-WBVHZDCISA-N 2 1 344.421 3.456 20 0 EGADMP CC(C)(C)OC(=O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310978902 456585486 /nfs/dbraw/zinc/58/54/86/456585486.db2.gz DQIRBTAIBUCJRL-MOPGFXCFSA-N 2 1 344.499 3.172 20 0 EGADMP CC(C)(C)OC(=O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310978902 456585495 /nfs/dbraw/zinc/58/54/95/456585495.db2.gz DQIRBTAIBUCJRL-MOPGFXCFSA-N 2 1 344.499 3.172 20 0 EGADMP CC(C)(C)OC(=O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310978902 456585504 /nfs/dbraw/zinc/58/55/04/456585504.db2.gz DQIRBTAIBUCJRL-MOPGFXCFSA-N 2 1 344.499 3.172 20 0 EGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000282706306 456598376 /nfs/dbraw/zinc/59/83/76/456598376.db2.gz QMKPSCWFSXLMKL-INIZCTEOSA-N 2 1 341.503 3.238 20 0 EGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000282706306 456598384 /nfs/dbraw/zinc/59/83/84/456598384.db2.gz QMKPSCWFSXLMKL-INIZCTEOSA-N 2 1 341.503 3.238 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CC)CC2)c2ccccc21 ZINC000282751354 456613495 /nfs/dbraw/zinc/61/34/95/456613495.db2.gz ATBBXZWVDBWXDL-RTBURBONSA-N 2 1 330.472 3.242 20 0 EGADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000316768121 456614798 /nfs/dbraw/zinc/61/47/98/456614798.db2.gz DMOSZRNEJHEROQ-RISCZKNCSA-N 2 1 344.286 3.381 20 0 EGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CC4CCOCC4)C3)C2)cc1 ZINC000340692034 456629751 /nfs/dbraw/zinc/62/97/51/456629751.db2.gz RIMWFPCEJYXLJT-NRFANRHFSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CC4CCOCC4)C3)C2)cc1 ZINC000340692034 456629762 /nfs/dbraw/zinc/62/97/62/456629762.db2.gz RIMWFPCEJYXLJT-NRFANRHFSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CC4CCOCC4)C3)C2)cc1 ZINC000340692034 456629769 /nfs/dbraw/zinc/62/97/69/456629769.db2.gz RIMWFPCEJYXLJT-NRFANRHFSA-N 2 1 328.500 3.401 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000338163884 456678228 /nfs/dbraw/zinc/67/82/28/456678228.db2.gz VWAZZDFHSCFLKQ-ROUUACIJSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000343586095 456725478 /nfs/dbraw/zinc/72/54/78/456725478.db2.gz PEGYZSZJJHCMOF-ROUUACIJSA-N 2 1 345.531 3.121 20 0 EGADMP C[NH+](C)CCOC1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000353526553 456736869 /nfs/dbraw/zinc/73/68/69/456736869.db2.gz BABPLZWSOJMOHP-UHFFFAOYSA-N 2 1 348.384 3.387 20 0 EGADMP CC(C)[C@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[NH+](C)C ZINC000348665366 456807118 /nfs/dbraw/zinc/80/71/18/456807118.db2.gz ZINSUZXDRWUVFQ-FXAWDEMLSA-N 2 1 345.531 3.121 20 0 EGADMP CCc1cnc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)s1 ZINC000341273495 456828553 /nfs/dbraw/zinc/82/85/53/456828553.db2.gz PSBGIWFSKUTEDU-UHFFFAOYSA-N 2 1 345.512 3.468 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCn3ccnc3C2)CC1 ZINC000353671835 456845601 /nfs/dbraw/zinc/84/56/01/456845601.db2.gz OQEPURJUHKHACY-GPJFCIFZSA-N 2 1 338.499 3.231 20 0 EGADMP CCCC[C@H]([NH3+])C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000353730134 456875619 /nfs/dbraw/zinc/87/56/19/456875619.db2.gz QBSZRFREICYVNL-IBGZPJMESA-N 2 1 343.515 3.019 20 0 EGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349333057 456945972 /nfs/dbraw/zinc/94/59/72/456945972.db2.gz PXWVEYGVXORWSN-UHFFFAOYSA-N 2 1 343.437 3.083 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC000345162312 456948715 /nfs/dbraw/zinc/94/87/15/456948715.db2.gz SATJAFNUZOOSAL-GOSISDBHSA-N 2 1 345.531 3.408 20 0 EGADMP C[C@H](Cn1cccn1)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000345182397 456956815 /nfs/dbraw/zinc/95/68/15/456956815.db2.gz VYPAYAJNRVLOPI-MSOLQXFVSA-N 2 1 326.488 3.436 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2nc(C)cs2)[C@@H](C)C1 ZINC000349661146 457009652 /nfs/dbraw/zinc/00/96/52/457009652.db2.gz FDCGELSQGJIZPD-ZOBUZTSGSA-N 2 1 339.549 3.282 20 0 EGADMP CC[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000339265904 457028980 /nfs/dbraw/zinc/02/89/80/457028980.db2.gz QIBPMFJAFUFDLC-IBGZPJMESA-N 2 1 345.531 3.276 20 0 EGADMP CCCn1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000356536049 457043119 /nfs/dbraw/zinc/04/31/19/457043119.db2.gz YBHSOKLSPPHNTE-SFTDATJTSA-N 2 1 338.499 3.247 20 0 EGADMP CCCn1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000356536049 457043124 /nfs/dbraw/zinc/04/31/24/457043124.db2.gz YBHSOKLSPPHNTE-SFTDATJTSA-N 2 1 338.499 3.247 20 0 EGADMP CCCn1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000356536049 457043130 /nfs/dbraw/zinc/04/31/30/457043130.db2.gz YBHSOKLSPPHNTE-SFTDATJTSA-N 2 1 338.499 3.247 20 0 EGADMP CCCn1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000356536049 457043135 /nfs/dbraw/zinc/04/31/35/457043135.db2.gz YBHSOKLSPPHNTE-SFTDATJTSA-N 2 1 338.499 3.247 20 0 EGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000354100781 457061867 /nfs/dbraw/zinc/06/18/67/457061867.db2.gz PDXLAZRSPKGFNL-INIZCTEOSA-N 2 1 325.456 3.104 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000354100781 457061869 /nfs/dbraw/zinc/06/18/69/457061869.db2.gz PDXLAZRSPKGFNL-INIZCTEOSA-N 2 1 325.456 3.104 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000354100781 457061871 /nfs/dbraw/zinc/06/18/71/457061871.db2.gz PDXLAZRSPKGFNL-INIZCTEOSA-N 2 1 325.456 3.104 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000354100781 457061873 /nfs/dbraw/zinc/06/18/73/457061873.db2.gz PDXLAZRSPKGFNL-INIZCTEOSA-N 2 1 325.456 3.104 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000356603745 457079030 /nfs/dbraw/zinc/07/90/30/457079030.db2.gz SGIXEHUUWGRDEM-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000356603745 457079040 /nfs/dbraw/zinc/07/90/40/457079040.db2.gz SGIXEHUUWGRDEM-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000356603745 457079043 /nfs/dbraw/zinc/07/90/43/457079043.db2.gz SGIXEHUUWGRDEM-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C[C@H]21 ZINC000342088845 457102251 /nfs/dbraw/zinc/10/22/51/457102251.db2.gz ASPAACHHPZOBOR-CEWLAPEOSA-N 2 1 349.478 3.498 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342113205 457113521 /nfs/dbraw/zinc/11/35/21/457113521.db2.gz BLUXQQUYLXTHMN-IWKCEXAMSA-N 2 1 337.467 3.226 20 0 EGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000354183237 457116551 /nfs/dbraw/zinc/11/65/51/457116551.db2.gz YNLZDRSPVXGMGK-QMMLZNLJSA-N 2 1 346.515 3.202 20 0 EGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000354183237 457116555 /nfs/dbraw/zinc/11/65/55/457116555.db2.gz YNLZDRSPVXGMGK-QMMLZNLJSA-N 2 1 346.515 3.202 20 0 EGADMP C[C@H](C[NH2+]CC1([NH+]2CCCCC2)CCOCC1)CC1CCOCC1 ZINC000350049598 457154533 /nfs/dbraw/zinc/15/45/33/457154533.db2.gz PDXGHBRQRLOQOK-SFHVURJKSA-N 2 1 338.536 3.064 20 0 EGADMP COC1(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000359970055 457177019 /nfs/dbraw/zinc/17/70/19/457177019.db2.gz KFIWMZCPJFJUKL-HDICACEKSA-N 2 1 346.515 3.345 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(Cl)cccc3N3CCCC3)C[C@@H]21 ZINC000346851307 457183901 /nfs/dbraw/zinc/18/39/01/457183901.db2.gz VUGLJNQSPQBZOF-RVKKMQEKSA-N 2 1 333.907 3.499 20 0 EGADMP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)c1ccccc1Br ZINC000360044394 457221830 /nfs/dbraw/zinc/22/18/30/457221830.db2.gz DWDFJXDPTOTMFF-INIZCTEOSA-N 2 1 343.309 3.458 20 0 EGADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccccc1Br ZINC000360044394 457221835 /nfs/dbraw/zinc/22/18/35/457221835.db2.gz DWDFJXDPTOTMFF-INIZCTEOSA-N 2 1 343.309 3.458 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H](C)C2 ZINC000331728643 457241518 /nfs/dbraw/zinc/24/15/18/457241518.db2.gz ZPUBRVUPGDMKJM-SZVBFZGTSA-N 2 1 329.488 3.455 20 0 EGADMP CC(C)[C@@H]1C[NH+](C/C=C/C[N@H+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000339812523 457284676 /nfs/dbraw/zinc/28/46/76/457284676.db2.gz KVISGJWIOJPXCO-VGIQHARFSA-N 2 1 338.536 3.036 20 0 EGADMP CC(C)[C@@H]1C[N@H+](C/C=C/C[NH+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000339812523 457284683 /nfs/dbraw/zinc/28/46/83/457284683.db2.gz KVISGJWIOJPXCO-VGIQHARFSA-N 2 1 338.536 3.036 20 0 EGADMP CC(C)[C@@H]1C[N@@H+](C/C=C/C[NH+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000339812523 457284690 /nfs/dbraw/zinc/28/46/90/457284690.db2.gz KVISGJWIOJPXCO-VGIQHARFSA-N 2 1 338.536 3.036 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cncc(F)c1 ZINC000347203379 457286606 /nfs/dbraw/zinc/28/66/06/457286606.db2.gz PIPAJKKVMSIOED-HZPDHXFCSA-N 2 1 327.447 3.467 20 0 EGADMP CCOc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000351472290 457298257 /nfs/dbraw/zinc/29/82/57/457298257.db2.gz AOEQPLABDZMWHS-JCGIZDLHSA-N 2 1 343.496 3.378 20 0 EGADMP CCOc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000351472290 457298262 /nfs/dbraw/zinc/29/82/62/457298262.db2.gz AOEQPLABDZMWHS-JCGIZDLHSA-N 2 1 343.496 3.378 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cnn(Cc3ccccc3)c2)C1 ZINC000339832212 457299254 /nfs/dbraw/zinc/29/92/54/457299254.db2.gz VCFLEWMCDYHJJP-FQEVSTJZSA-N 2 1 338.499 3.095 20 0 EGADMP Cc1cc(N2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000354708290 457313919 /nfs/dbraw/zinc/31/39/19/457313919.db2.gz DSWHOIAITBWZAP-QGZVFWFLSA-N 2 1 338.499 3.148 20 0 EGADMP Cc1cc(N2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000354708290 457313926 /nfs/dbraw/zinc/31/39/26/457313926.db2.gz DSWHOIAITBWZAP-QGZVFWFLSA-N 2 1 338.499 3.148 20 0 EGADMP CCN(CC)C(=O)[C@H](C)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000357085780 457314091 /nfs/dbraw/zinc/31/40/91/457314091.db2.gz NZIBTVSFYPWFKE-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]1CCc2nc(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)sc2C1 ZINC000357211195 457374936 /nfs/dbraw/zinc/37/49/36/457374936.db2.gz GBUAPSHYOYBJEW-LSDHHAIUSA-N 2 1 344.528 3.456 20 0 EGADMP C[C@H]1CCc2nc(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)sc2C1 ZINC000357211195 457374940 /nfs/dbraw/zinc/37/49/40/457374940.db2.gz GBUAPSHYOYBJEW-LSDHHAIUSA-N 2 1 344.528 3.456 20 0 EGADMP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000390809070 457442373 /nfs/dbraw/zinc/44/23/73/457442373.db2.gz PRMZYNFNEJGZJX-HOTGVXAUSA-N 2 1 327.513 3.001 20 0 EGADMP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392260543 457457438 /nfs/dbraw/zinc/45/74/38/457457438.db2.gz GNUKYOQITBCOTK-NVXWUHKLSA-N 2 1 337.508 3.016 20 0 EGADMP CC1(C)[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C[C@@H]1Oc1ccccc1 ZINC000342696346 457460783 /nfs/dbraw/zinc/46/07/83/457460783.db2.gz CXQQGEBCJXPORJ-SXLOBPIMSA-N 2 1 346.515 3.059 20 0 EGADMP Oc1cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc(C(F)(F)F)c1 ZINC000356124533 457468179 /nfs/dbraw/zinc/46/81/79/457468179.db2.gz JJIAYXPSKVEVDO-MRXNPFEDSA-N 2 1 338.329 3.459 20 0 EGADMP Oc1cc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc(C(F)(F)F)c1 ZINC000356124533 457468183 /nfs/dbraw/zinc/46/81/83/457468183.db2.gz JJIAYXPSKVEVDO-MRXNPFEDSA-N 2 1 338.329 3.459 20 0 EGADMP CC(C)[NH+](CCN(C)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1)C(C)C ZINC000356171238 457503018 /nfs/dbraw/zinc/50/30/18/457503018.db2.gz UUZYVWQMNFEGPJ-SFHVURJKSA-N 2 1 333.520 3.084 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2cccc(Oc3ccncc3)c2)CC[N@H+]1C ZINC000357414280 457507682 /nfs/dbraw/zinc/50/76/82/457507682.db2.gz MKTMJWCVEZLBLI-GDBMZVCRSA-N 2 1 325.412 3.086 20 0 EGADMP CSC1(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CCC1 ZINC000356183317 457513002 /nfs/dbraw/zinc/51/30/02/457513002.db2.gz NWELJVMETADSCP-LJQANCHMSA-N 2 1 347.572 3.241 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCC[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000400618099 457519086 /nfs/dbraw/zinc/51/90/86/457519086.db2.gz YONLOHPYWOYNOC-BURNTYAHSA-N 2 1 328.500 3.303 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000401022428 457522973 /nfs/dbraw/zinc/52/29/73/457522973.db2.gz YIBOWAVWNDYZEA-GXRSIYKFSA-N 3 1 341.543 3.266 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(Cl)ccc1Br ZINC000401723885 457529904 /nfs/dbraw/zinc/52/99/04/457529904.db2.gz BXOIHDLWIFWGFX-UHFFFAOYSA-N 2 1 328.641 3.168 20 0 EGADMP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c(Cl)c1OC ZINC000404410283 457544008 /nfs/dbraw/zinc/54/40/08/457544008.db2.gz BZDMEGWEYXWCPN-TZMCWYRMSA-N 2 1 326.868 3.307 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c(Cl)c1OC ZINC000404410283 457544012 /nfs/dbraw/zinc/54/40/12/457544012.db2.gz BZDMEGWEYXWCPN-TZMCWYRMSA-N 2 1 326.868 3.307 20 0 EGADMP COC(=O)[C@H](CC[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000425421989 457545741 /nfs/dbraw/zinc/54/57/41/457545741.db2.gz RZBYGHMWLIEMQY-RTBURBONSA-N 2 1 332.488 3.140 20 0 EGADMP COC(=O)[C@H](CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000425421989 457545749 /nfs/dbraw/zinc/54/57/49/457545749.db2.gz RZBYGHMWLIEMQY-RTBURBONSA-N 2 1 332.488 3.140 20 0 EGADMP COC(=O)[C@H](CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000425421989 457545752 /nfs/dbraw/zinc/54/57/52/457545752.db2.gz RZBYGHMWLIEMQY-RTBURBONSA-N 2 1 332.488 3.140 20 0 EGADMP COC(=O)[C@H](CC[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000425421989 457545759 /nfs/dbraw/zinc/54/57/59/457545759.db2.gz RZBYGHMWLIEMQY-RTBURBONSA-N 2 1 332.488 3.140 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)s1 ZINC000352733087 457568206 /nfs/dbraw/zinc/56/82/06/457568206.db2.gz QWVINDFEYMHDLX-DOTOQJQBSA-N 2 1 349.475 3.354 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000408506233 457572270 /nfs/dbraw/zinc/57/22/70/457572270.db2.gz FGRRYUWUEIDIEI-MDZRGWNJSA-N 2 1 339.524 3.096 20 0 EGADMP COCCN1CCC([NH2+]Cc2nc(-c3ccccc3F)cs2)CC1 ZINC000356400502 457605809 /nfs/dbraw/zinc/60/58/09/457605809.db2.gz DLLPBNBYGHPXSX-UHFFFAOYSA-N 2 1 349.475 3.150 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000357611008 457621429 /nfs/dbraw/zinc/62/14/29/457621429.db2.gz UONURZUDWUHOCX-PKOBYXMFSA-N 2 1 348.535 3.097 20 0 EGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)s1 ZINC000361162776 457622148 /nfs/dbraw/zinc/62/21/48/457622148.db2.gz FYIKKPVCBGTZMH-CHWSQXEVSA-N 2 1 343.924 3.030 20 0 EGADMP Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000357784743 457688268 /nfs/dbraw/zinc/68/82/68/457688268.db2.gz NYKHNLFQHCJXPY-KRWDZBQOSA-N 2 1 325.456 3.073 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000364888204 457713341 /nfs/dbraw/zinc/71/33/41/457713341.db2.gz NBHAWBSHJXASRJ-INIZCTEOSA-N 2 1 337.895 3.310 20 0 EGADMP CC1(C)CCC[N@H+](CCNC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000361431982 457729908 /nfs/dbraw/zinc/72/99/08/457729908.db2.gz HXLQQDZAMKLOIG-UHFFFAOYSA-N 2 1 335.458 3.115 20 0 EGADMP CC1(C)CCC[N@@H+](CCNC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000361431982 457729910 /nfs/dbraw/zinc/72/99/10/457729910.db2.gz HXLQQDZAMKLOIG-UHFFFAOYSA-N 2 1 335.458 3.115 20 0 EGADMP CSc1ccccc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000358035860 457746109 /nfs/dbraw/zinc/74/61/09/457746109.db2.gz OESQZJNBPBUVDK-UHFFFAOYSA-N 2 1 347.572 3.399 20 0 EGADMP Cc1ccc2cc([C@H](C)[NH2+]CCCN3CCC[N@@H+](C)CC3)oc2c1 ZINC000426049134 457765812 /nfs/dbraw/zinc/76/58/12/457765812.db2.gz IQIWEKBBRJRPGJ-KRWDZBQOSA-N 2 1 329.488 3.419 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000358077257 457769869 /nfs/dbraw/zinc/76/98/69/457769869.db2.gz RUIVWWDEMLMGDT-LBPRGKRZSA-N 2 1 338.521 3.015 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000358077257 457769872 /nfs/dbraw/zinc/76/98/72/457769872.db2.gz RUIVWWDEMLMGDT-LBPRGKRZSA-N 2 1 338.521 3.015 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OCC)[C@@H](C)C1 ZINC000358081286 457772544 /nfs/dbraw/zinc/77/25/44/457772544.db2.gz HSDKFWQLVIEQMG-HKUYNNGSSA-N 2 1 334.504 3.312 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OCC)[C@@H](C)C1 ZINC000358081286 457772548 /nfs/dbraw/zinc/77/25/48/457772548.db2.gz HSDKFWQLVIEQMG-HKUYNNGSSA-N 2 1 334.504 3.312 20 0 EGADMP C[C@H](NC(=O)C1C[NH+](C2CCCCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000457693897 457796494 /nfs/dbraw/zinc/79/64/94/457796494.db2.gz IFKVYEKSTWCWRA-DLBZAZTESA-N 2 1 347.547 3.020 20 0 EGADMP CN(c1ccccc1)c1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cn1 ZINC000366481092 457823508 /nfs/dbraw/zinc/82/35/08/457823508.db2.gz KHOUPNNJVJCKMV-NRFANRHFSA-N 2 1 336.483 3.377 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000361755647 457836790 /nfs/dbraw/zinc/83/67/90/457836790.db2.gz MPZIESRRICTKLA-PUCZYUMASA-N 2 1 333.435 3.490 20 0 EGADMP Cc1nnc([C@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000371350682 457879053 /nfs/dbraw/zinc/87/90/53/457879053.db2.gz APOAPHFBHKZGKQ-INIZCTEOSA-N 2 1 340.471 3.427 20 0 EGADMP Cc1nnc([C@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000371350682 457879064 /nfs/dbraw/zinc/87/90/64/457879064.db2.gz APOAPHFBHKZGKQ-INIZCTEOSA-N 2 1 340.471 3.427 20 0 EGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358254708 457891272 /nfs/dbraw/zinc/89/12/72/457891272.db2.gz PNHHKYBFZSMQBZ-AUUYWEPGSA-N 2 1 345.512 3.144 20 0 EGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358254708 457891279 /nfs/dbraw/zinc/89/12/79/457891279.db2.gz PNHHKYBFZSMQBZ-AUUYWEPGSA-N 2 1 345.512 3.144 20 0 EGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358254708 457891283 /nfs/dbraw/zinc/89/12/83/457891283.db2.gz PNHHKYBFZSMQBZ-AUUYWEPGSA-N 2 1 345.512 3.144 20 0 EGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358254708 457891290 /nfs/dbraw/zinc/89/12/90/457891290.db2.gz PNHHKYBFZSMQBZ-AUUYWEPGSA-N 2 1 345.512 3.144 20 0 EGADMP CC(C)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000367030342 457920740 /nfs/dbraw/zinc/92/07/40/457920740.db2.gz QDICERZQCGGINB-GHTZIAJQSA-N 2 1 329.532 3.268 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CO)CC(F)(F)F)cc1 ZINC000358368344 457960441 /nfs/dbraw/zinc/96/04/41/457960441.db2.gz NHDQUWGHAHDJEE-SMDDNHRTSA-N 2 1 327.350 3.145 20 0 EGADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000375643267 458001748 /nfs/dbraw/zinc/00/17/48/458001748.db2.gz KDCHQVXTVRFRRF-YJBOKZPZSA-N 2 1 344.528 3.361 20 0 EGADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000375643267 458001752 /nfs/dbraw/zinc/00/17/52/458001752.db2.gz KDCHQVXTVRFRRF-YJBOKZPZSA-N 2 1 344.528 3.361 20 0 EGADMP CCC1(C[NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)CCOCC1 ZINC000358479984 458026804 /nfs/dbraw/zinc/02/68/04/458026804.db2.gz FSASTEVNXKYWLE-UHFFFAOYSA-N 2 1 338.536 3.206 20 0 EGADMP O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000368445620 458038784 /nfs/dbraw/zinc/03/87/84/458038784.db2.gz MPCAEAPXNUSEFX-GWWPLSDWSA-N 2 1 339.483 3.036 20 0 EGADMP CC(C)c1ccc(-c2noc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)n2)cc1 ZINC000358506315 458046868 /nfs/dbraw/zinc/04/68/68/458046868.db2.gz LVXHTJXYKBXKNS-UHFFFAOYSA-N 2 1 340.471 3.436 20 0 EGADMP Cc1nc(C(C)C)oc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000428247218 458107170 /nfs/dbraw/zinc/10/71/70/458107170.db2.gz SQXIJZXPZYTQTH-IYBDPMFKSA-N 2 1 349.519 3.428 20 0 EGADMP CCC[N@@H+](CC)CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412150323 458109270 /nfs/dbraw/zinc/10/92/70/458109270.db2.gz BQVKBTQXIQIRAJ-UHFFFAOYSA-N 2 1 331.504 3.134 20 0 EGADMP CC(C)n1cc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000369181620 458114259 /nfs/dbraw/zinc/11/42/59/458114259.db2.gz AJDSFOUMNPDWSU-FQEVSTJZSA-N 2 1 326.488 3.466 20 0 EGADMP CC(C)n1cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000369181620 458114263 /nfs/dbraw/zinc/11/42/63/458114263.db2.gz AJDSFOUMNPDWSU-FQEVSTJZSA-N 2 1 326.488 3.466 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OCc1ccccc1 ZINC000435369633 458120314 /nfs/dbraw/zinc/12/03/14/458120314.db2.gz FXPSZSDHTCBTQA-VQIMIIECSA-N 2 1 340.467 3.443 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OCc1ccccc1 ZINC000435369633 458120321 /nfs/dbraw/zinc/12/03/21/458120321.db2.gz FXPSZSDHTCBTQA-VQIMIIECSA-N 2 1 340.467 3.443 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000435371967 458122001 /nfs/dbraw/zinc/12/20/01/458122001.db2.gz PICOMXVKSVXYCR-DJJJIMSYSA-N 2 1 346.906 3.371 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000435371967 458122008 /nfs/dbraw/zinc/12/20/08/458122008.db2.gz PICOMXVKSVXYCR-DJJJIMSYSA-N 2 1 346.906 3.371 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435374140 458125382 /nfs/dbraw/zinc/12/53/82/458125382.db2.gz HLJQDNDUDVURTL-AEFFLSMTSA-N 2 1 338.499 3.394 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000435380688 458128027 /nfs/dbraw/zinc/12/80/27/458128027.db2.gz SUBYFTYJXHBETM-IUODEOHRSA-N 2 1 348.441 3.327 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435385849 458131995 /nfs/dbraw/zinc/13/19/95/458131995.db2.gz RVCHTEJMELCWGY-AEFFLSMTSA-N 2 1 325.456 3.220 20 0 EGADMP CC[N@@H+](Cc1cc(OC)c(OC)cc1SC)[C@@H]1CCC[NH2+]CC1 ZINC000435393078 458135363 /nfs/dbraw/zinc/13/53/63/458135363.db2.gz YSKHTFMSHPKEIF-OAHLLOKOSA-N 2 1 338.517 3.390 20 0 EGADMP Cn1ccnc1C[N@@H+](CC1CCCCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435420092 458140982 /nfs/dbraw/zinc/14/09/82/458140982.db2.gz BFYPURMHWAHWJQ-SFHVURJKSA-N 2 1 330.520 3.335 20 0 EGADMP CCn1cc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000435434281 458145803 /nfs/dbraw/zinc/14/58/03/458145803.db2.gz XEGHNUWVZWNIPX-KRWDZBQOSA-N 2 1 330.501 3.109 20 0 EGADMP CCn1cc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000435434281 458145811 /nfs/dbraw/zinc/14/58/11/458145811.db2.gz XEGHNUWVZWNIPX-KRWDZBQOSA-N 2 1 330.501 3.109 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)C2)CC1 ZINC000375998935 458155776 /nfs/dbraw/zinc/15/57/76/458155776.db2.gz IKOSLYZPSBNJKE-UHFFFAOYSA-N 2 1 332.879 3.296 20 0 EGADMP CCn1nc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c2ccccc21 ZINC000375997966 458156324 /nfs/dbraw/zinc/15/63/24/458156324.db2.gz DGPBERDHAGTCDP-UHFFFAOYSA-N 2 1 326.488 3.364 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCSCc3ccccc3)C2)CC1 ZINC000369298664 458163520 /nfs/dbraw/zinc/16/35/20/458163520.db2.gz NQDXWULLYDJEHX-HXUWFJFHSA-N 2 1 347.572 3.020 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000358729464 458175578 /nfs/dbraw/zinc/17/55/78/458175578.db2.gz YGHBFTUVMCZXCY-HNAYVOBHSA-N 2 1 335.923 3.234 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000358729464 458175583 /nfs/dbraw/zinc/17/55/83/458175583.db2.gz YGHBFTUVMCZXCY-HNAYVOBHSA-N 2 1 335.923 3.234 20 0 EGADMP Cc1cccc(OCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435628417 458176330 /nfs/dbraw/zinc/17/63/30/458176330.db2.gz QQLJOUVTPJGJDS-HXUWFJFHSA-N 2 1 339.483 3.413 20 0 EGADMP Cc1cccc(OCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435628417 458176335 /nfs/dbraw/zinc/17/63/35/458176335.db2.gz QQLJOUVTPJGJDS-HXUWFJFHSA-N 2 1 339.483 3.413 20 0 EGADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428860647 458225163 /nfs/dbraw/zinc/22/51/63/458225163.db2.gz HDPBMVVZNLVABC-ZIAGYGMSSA-N 2 1 348.434 3.234 20 0 EGADMP CCn1ccnc1[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000435988400 458232845 /nfs/dbraw/zinc/23/28/45/458232845.db2.gz GMNJOWZVACUJAA-SFHVURJKSA-N 2 1 340.471 3.089 20 0 EGADMP C[C@H]1C[C@@H]1[N@H+]1CCN(Cc2cncn2Cc2ccccc2)C[C@@H](C)C1 ZINC000429027446 458261106 /nfs/dbraw/zinc/26/11/06/458261106.db2.gz ZRMMAUPSUJPKOT-LQWHRVPQSA-N 2 1 338.499 3.094 20 0 EGADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(C)c1 ZINC000372330234 458278749 /nfs/dbraw/zinc/27/87/49/458278749.db2.gz FQPRYQYWXLEOEO-PZJWPPBQSA-N 2 1 329.532 3.070 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429251755 458299584 /nfs/dbraw/zinc/29/95/84/458299584.db2.gz DJSAOVCPXROELQ-MRXNPFEDSA-N 2 1 330.451 3.322 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429251755 458299587 /nfs/dbraw/zinc/29/95/87/458299587.db2.gz DJSAOVCPXROELQ-MRXNPFEDSA-N 2 1 330.451 3.322 20 0 EGADMP C[C@@H]1C[N@H+](CC2CCN(Cc3ccc(Cl)cn3)CC2)C[C@H](C)O1 ZINC000376486899 458315427 /nfs/dbraw/zinc/31/54/27/458315427.db2.gz VGUYGFDKCCLMJI-GASCZTMLSA-N 2 1 337.895 3.056 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(Cl)cn3)CC2)C[C@H](C)O1 ZINC000376486899 458315434 /nfs/dbraw/zinc/31/54/34/458315434.db2.gz VGUYGFDKCCLMJI-GASCZTMLSA-N 2 1 337.895 3.056 20 0 EGADMP CC(C)c1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000448073590 458387220 /nfs/dbraw/zinc/38/72/20/458387220.db2.gz DIXJIBGPSPZYTK-MAUKXSAKSA-N 2 1 343.519 3.119 20 0 EGADMP CC(C)c1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000448073590 458387226 /nfs/dbraw/zinc/38/72/26/458387226.db2.gz DIXJIBGPSPZYTK-MAUKXSAKSA-N 2 1 343.519 3.119 20 0 EGADMP FC(F)(F)Oc1cccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CC2)c1 ZINC000423492719 458442485 /nfs/dbraw/zinc/44/24/85/458442485.db2.gz OJLFADLDQHNWKW-HOTGVXAUSA-N 2 1 344.377 3.004 20 0 EGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423503441 458445146 /nfs/dbraw/zinc/44/51/46/458445146.db2.gz FQOYTSXMCJQMJA-PBHICJAKSA-N 2 1 345.512 3.456 20 0 EGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423532045 458453530 /nfs/dbraw/zinc/45/35/30/458453530.db2.gz QUKMWHPGZAKWTI-FZKQIMNGSA-N 2 1 330.476 3.139 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430541496 458458742 /nfs/dbraw/zinc/45/87/42/458458742.db2.gz JBBCBUALRXFIEE-JKSUJKDBSA-N 2 1 341.499 3.322 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430541496 458458745 /nfs/dbraw/zinc/45/87/45/458458745.db2.gz JBBCBUALRXFIEE-JKSUJKDBSA-N 2 1 341.499 3.322 20 0 EGADMP C[N@@H+](Cc1cc(Br)cc2cccnc21)CC(C)(C)C[NH3+] ZINC000430564215 458462415 /nfs/dbraw/zinc/46/24/15/458462415.db2.gz YXWQHCWMAFBZBO-UHFFFAOYSA-N 2 1 336.277 3.414 20 0 EGADMP CC(C)[C@@](C)(CN)[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000430585828 458466933 /nfs/dbraw/zinc/46/69/33/458466933.db2.gz XNIUNSGKSRGUHM-LEWJYISDSA-N 2 1 345.531 3.387 20 0 EGADMP CC(C)[C@@](C)(CN)[NH2+]CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000430585830 458467129 /nfs/dbraw/zinc/46/71/29/458467129.db2.gz XNIUNSGKSRGUHM-NHCUHLMSSA-N 2 1 345.531 3.387 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000430593643 458467878 /nfs/dbraw/zinc/46/78/78/458467878.db2.gz PHRGRSHSGYOEEI-AWEZNQCLSA-N 2 1 329.847 3.113 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000430601479 458469831 /nfs/dbraw/zinc/46/98/31/458469831.db2.gz UMNKHSOOCHDIEF-GRDNDAEWSA-N 2 1 339.911 3.211 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000430601479 458469834 /nfs/dbraw/zinc/46/98/34/458469834.db2.gz UMNKHSOOCHDIEF-GRDNDAEWSA-N 2 1 339.911 3.211 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430616737 458472013 /nfs/dbraw/zinc/47/20/13/458472013.db2.gz HINNWCSEANQNNN-BBWFWOEESA-N 2 1 339.483 3.076 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430616737 458472018 /nfs/dbraw/zinc/47/20/18/458472018.db2.gz HINNWCSEANQNNN-BBWFWOEESA-N 2 1 339.483 3.076 20 0 EGADMP COc1cc(C)c(C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459782596 458477840 /nfs/dbraw/zinc/47/78/40/458477840.db2.gz MRJLQLZPLRUQNA-SJORKVTESA-N 2 1 334.504 3.265 20 0 EGADMP CO[C@@H]1CC[N@@H+](CC[C@@H](C)[NH+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451564632 458481325 /nfs/dbraw/zinc/48/13/25/458481325.db2.gz MBVMQQBZJBZLIV-KURKYZTESA-N 2 1 340.552 3.259 20 0 EGADMP CO[C@@H]1CC[NH+](CC[C@@H](C)[N@@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451564632 458481327 /nfs/dbraw/zinc/48/13/27/458481327.db2.gz MBVMQQBZJBZLIV-KURKYZTESA-N 2 1 340.552 3.259 20 0 EGADMP CO[C@@H]1CC[NH+](CC[C@@H](C)[N@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451564632 458481332 /nfs/dbraw/zinc/48/13/32/458481332.db2.gz MBVMQQBZJBZLIV-KURKYZTESA-N 2 1 340.552 3.259 20 0 EGADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[NH+](C)C ZINC000461223700 458551310 /nfs/dbraw/zinc/55/13/10/458551310.db2.gz RQERUNPQNFQPIQ-YQVWRLOYSA-N 2 1 348.535 3.014 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000469979803 458604934 /nfs/dbraw/zinc/60/49/34/458604934.db2.gz ABCKIQVMSZMCKS-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000493988820 458612097 /nfs/dbraw/zinc/61/20/97/458612097.db2.gz LLBTZIAZSWIFKX-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CC[C@@H]1CCCC[N@@H+]1C ZINC000493988820 458612101 /nfs/dbraw/zinc/61/21/01/458612101.db2.gz LLBTZIAZSWIFKX-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP COc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c(Cl)c1 ZINC000424316988 458613184 /nfs/dbraw/zinc/61/31/84/458613184.db2.gz QSMFCKQUHYIZND-HNNXBMFYSA-N 2 1 339.911 3.027 20 0 EGADMP COC(=O)CC1CC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000424349107 458623813 /nfs/dbraw/zinc/62/38/13/458623813.db2.gz MSEGGMVOMVEFOZ-XEVCZEQESA-N 2 1 344.499 3.220 20 0 EGADMP Cc1nc(COc2ccc(C[NH2+][C@@H]3CCCC[C@H]3[NH3+])cc2)cs1 ZINC000424370700 458627346 /nfs/dbraw/zinc/62/73/46/458627346.db2.gz UDIKDEVYFHUTOX-QZTJIDSGSA-N 2 1 331.485 3.390 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC(C)(C)C1 ZINC000462728984 458648593 /nfs/dbraw/zinc/64/85/93/458648593.db2.gz YIJAUOYZTMDTQS-LMNJBCLMSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC(C)(C)C1 ZINC000462728984 458648599 /nfs/dbraw/zinc/64/85/99/458648599.db2.gz YIJAUOYZTMDTQS-LMNJBCLMSA-N 2 1 330.516 3.428 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470773392 458648638 /nfs/dbraw/zinc/64/86/38/458648638.db2.gz NVRJVQUCIKDERH-DENIHFKCSA-N 2 1 340.511 3.407 20 0 EGADMP CN(C)c1ccccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000470999224 458673577 /nfs/dbraw/zinc/67/35/77/458673577.db2.gz TUOCJACNYYVMEN-OYRHEFFESA-N 2 1 335.495 3.316 20 0 EGADMP CN(C)c1ccccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000470999224 458673581 /nfs/dbraw/zinc/67/35/81/458673581.db2.gz TUOCJACNYYVMEN-OYRHEFFESA-N 2 1 335.495 3.316 20 0 EGADMP CN(C)c1ccccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000470999224 458673585 /nfs/dbraw/zinc/67/35/85/458673585.db2.gz TUOCJACNYYVMEN-OYRHEFFESA-N 2 1 335.495 3.316 20 0 EGADMP CC(C)COc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432350890 458721791 /nfs/dbraw/zinc/72/17/91/458721791.db2.gz GLCUYTITHOASBO-SFHVURJKSA-N 2 1 334.504 3.312 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(-c3ccncc3)c2)CCCO1 ZINC000432357966 458723777 /nfs/dbraw/zinc/72/37/77/458723777.db2.gz NPICTDHDXNSUDI-GOSISDBHSA-N 2 1 339.483 3.339 20 0 EGADMP CCN(CCC[NH+](CC)CC)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000472092417 458767137 /nfs/dbraw/zinc/76/71/37/458767137.db2.gz BYOAFNCNSMGBIM-ROUUACIJSA-N 2 1 340.556 3.013 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000439960003 458770355 /nfs/dbraw/zinc/77/03/55/458770355.db2.gz UYQQCKXSSISEMG-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000439960003 458770362 /nfs/dbraw/zinc/77/03/62/458770362.db2.gz UYQQCKXSSISEMG-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000439960003 458770369 /nfs/dbraw/zinc/77/03/69/458770369.db2.gz UYQQCKXSSISEMG-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000494958276 458774097 /nfs/dbraw/zinc/77/40/97/458774097.db2.gz VJFJQUKCBCTUGP-HNNXBMFYSA-N 2 1 349.500 3.336 20 0 EGADMP C[C@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)CCCNC(=O)C3CCC3)CC2)C1 ZINC000432799701 458789691 /nfs/dbraw/zinc/78/96/91/458789691.db2.gz ZBVIKFSUNHWJPU-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CCC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)C1CCCCC1 ZINC000548060939 458829993 /nfs/dbraw/zinc/82/99/93/458829993.db2.gz PDOKKGFKKWSZDN-UHFFFAOYSA-N 2 1 349.494 3.028 20 0 EGADMP C[NH+](CCNC(=O)CC[N@H+](C)C1CCCCC1)Cc1ccc(F)cc1 ZINC000548060939 458829996 /nfs/dbraw/zinc/82/99/96/458829996.db2.gz PDOKKGFKKWSZDN-UHFFFAOYSA-N 2 1 349.494 3.028 20 0 EGADMP C[NH+](CCNC(=O)CC[N@@H+](C)C1CCCCC1)Cc1ccc(F)cc1 ZINC000548060939 458830003 /nfs/dbraw/zinc/83/00/03/458830003.db2.gz PDOKKGFKKWSZDN-UHFFFAOYSA-N 2 1 349.494 3.028 20 0 EGADMP COC(=O)c1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(F)c1 ZINC000548095599 458836444 /nfs/dbraw/zinc/83/64/44/458836444.db2.gz MTNPCYRTOJKAIL-UHFFFAOYSA-N 2 1 336.451 3.165 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440822921 458857948 /nfs/dbraw/zinc/85/79/48/458857948.db2.gz FENZGAOYYDVHDF-BETUJISGSA-N 2 1 332.414 3.276 20 0 EGADMP FC(F)(F)c1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[nH]n1 ZINC000440825200 458858132 /nfs/dbraw/zinc/85/81/32/458858132.db2.gz VWIZVOJSMCGJMN-UHFFFAOYSA-N 2 1 338.377 3.314 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H]1C ZINC000474479922 458888260 /nfs/dbraw/zinc/88/82/60/458888260.db2.gz TUNIFJWKCAIJPT-LFDJNIOPSA-N 2 1 338.536 3.312 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000576881431 458940232 /nfs/dbraw/zinc/94/02/32/458940232.db2.gz NXLQUPVIORTPKQ-AWEZNQCLSA-N 2 1 325.447 3.252 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000576881431 458940238 /nfs/dbraw/zinc/94/02/38/458940238.db2.gz NXLQUPVIORTPKQ-AWEZNQCLSA-N 2 1 325.447 3.252 20 0 EGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000531713609 458966262 /nfs/dbraw/zinc/96/62/62/458966262.db2.gz AIJKKTNJZODERN-DLBZAZTESA-N 2 1 332.488 3.155 20 0 EGADMP COC(=O)c1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C)s1 ZINC000531802281 458980188 /nfs/dbraw/zinc/98/01/88/458980188.db2.gz HRNMSDYKXSPNCU-UHFFFAOYSA-N 2 1 338.517 3.395 20 0 EGADMP CC(C)N(C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)C1CCCC1 ZINC000532155744 459038710 /nfs/dbraw/zinc/03/87/10/459038710.db2.gz LABVQOVXALICRQ-UHFFFAOYSA-N 2 1 337.552 3.218 20 0 EGADMP CCSc1ccccc1[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442868237 459046978 /nfs/dbraw/zinc/04/69/78/459046978.db2.gz GLGZZEBLFBALGG-INIZCTEOSA-N 2 1 335.561 3.475 20 0 EGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc2c(c1)CCCC2 ZINC000442878119 459049681 /nfs/dbraw/zinc/04/96/81/459049681.db2.gz SGTJKGYEWVCARL-KRWDZBQOSA-N 2 1 329.532 3.242 20 0 EGADMP Cc1cccc(Cl)c1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000567122164 459051400 /nfs/dbraw/zinc/05/14/00/459051400.db2.gz WWQVWRMXGIELGU-KRWDZBQOSA-N 2 1 335.923 3.249 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442929572 459063669 /nfs/dbraw/zinc/06/36/69/459063669.db2.gz RVENLSJLCRNYTH-HNNXBMFYSA-N 2 1 348.441 3.328 20 0 EGADMP CC[N@@H+](CC(=O)Nc1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999382 459065289 /nfs/dbraw/zinc/06/52/89/459065289.db2.gz DUKPSMOHHJICMN-UHFFFAOYSA-N 2 1 325.456 3.209 20 0 EGADMP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1CCCC1 ZINC000577684611 459072991 /nfs/dbraw/zinc/07/29/91/459072991.db2.gz MOJJTRGPTCJIQC-MHTWAQMVSA-N 2 1 328.500 3.038 20 0 EGADMP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@H](CC[NH3+])C3)n2)cc1F ZINC000443062733 459081018 /nfs/dbraw/zinc/08/10/18/459081018.db2.gz VHUVCWPDFZOSGF-OAHLLOKOSA-N 2 1 346.450 3.178 20 0 EGADMP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C(C)C ZINC000594583420 459097814 /nfs/dbraw/zinc/09/78/14/459097814.db2.gz LXVUKDXSOZBXEM-CEXWTWQISA-N 2 1 332.488 3.436 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCCCC[NH2+]2)cc1 ZINC000567390511 459098923 /nfs/dbraw/zinc/09/89/23/459098923.db2.gz CADVFIHDJWPLBI-XLIONFOSSA-N 2 1 343.515 3.209 20 0 EGADMP Cc1ccc(CCC[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)cn1 ZINC000496346652 459159624 /nfs/dbraw/zinc/15/96/24/459159624.db2.gz VOTLHUQNRVQXOB-ROUUACIJSA-N 2 1 345.487 3.264 20 0 EGADMP CCc1cnc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000578196465 459160427 /nfs/dbraw/zinc/16/04/27/459160427.db2.gz JDUXLWACJQHAQH-PKOBYXMFSA-N 2 1 327.472 3.409 20 0 EGADMP CCc1cnc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000578196465 459160430 /nfs/dbraw/zinc/16/04/30/459160430.db2.gz JDUXLWACJQHAQH-PKOBYXMFSA-N 2 1 327.472 3.409 20 0 EGADMP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000521995430 459201900 /nfs/dbraw/zinc/20/19/00/459201900.db2.gz LTPUNNFLURHTBT-GZIXRCOHSA-N 2 1 344.421 3.447 20 0 EGADMP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000521995430 459201903 /nfs/dbraw/zinc/20/19/03/459201903.db2.gz LTPUNNFLURHTBT-GZIXRCOHSA-N 2 1 344.421 3.447 20 0 EGADMP CC(C)[C@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)N1CCCC1 ZINC000480535962 459203412 /nfs/dbraw/zinc/20/34/12/459203412.db2.gz AWVIRWTZFWWNDP-RXVVDRJESA-N 2 1 347.547 3.398 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCc3ccccn3)C2)s1 ZINC000567994199 459204407 /nfs/dbraw/zinc/20/44/07/459204407.db2.gz GDQWRWWXVDKIGX-KRWDZBQOSA-N 2 1 329.513 3.448 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCc3ccccn3)C2)s1 ZINC000567994199 459204410 /nfs/dbraw/zinc/20/44/10/459204410.db2.gz GDQWRWWXVDKIGX-KRWDZBQOSA-N 2 1 329.513 3.448 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCc3ccccn3)C2)s1 ZINC000567994199 459204414 /nfs/dbraw/zinc/20/44/14/459204414.db2.gz GDQWRWWXVDKIGX-KRWDZBQOSA-N 2 1 329.513 3.448 20 0 EGADMP [NH3+]CCOCC[N@@H+](Cc1ccccc1Br)C1CCCC1 ZINC000568050907 459215460 /nfs/dbraw/zinc/21/54/60/459215460.db2.gz MTXWIDCTWGHAJG-UHFFFAOYSA-N 2 1 341.293 3.169 20 0 EGADMP CCN(C(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC000590786727 459220130 /nfs/dbraw/zinc/22/01/30/459220130.db2.gz KKMIJCKYVTZYDF-GOSISDBHSA-N 2 1 345.531 3.480 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000496537080 459231537 /nfs/dbraw/zinc/23/15/37/459231537.db2.gz CNTUCDVRRMUPCK-IRXDYDNUSA-N 2 1 341.540 3.057 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000496537080 459231545 /nfs/dbraw/zinc/23/15/45/459231545.db2.gz CNTUCDVRRMUPCK-IRXDYDNUSA-N 2 1 341.540 3.057 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000590819023 459232296 /nfs/dbraw/zinc/23/22/96/459232296.db2.gz TYEYQJSEEWNDOV-KZNAEPCWSA-N 2 1 337.552 3.217 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000481493801 459257781 /nfs/dbraw/zinc/25/77/81/459257781.db2.gz KYCHIUKNLCOTQN-IBGZPJMESA-N 2 1 345.531 3.106 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000590955476 459280897 /nfs/dbraw/zinc/28/08/97/459280897.db2.gz RGRNZBBBKAFIHK-WCIQWLHISA-N 2 1 348.556 3.397 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(C)(C)CC ZINC000482130795 459292181 /nfs/dbraw/zinc/29/21/81/459292181.db2.gz WDNAYGURHKBLAB-YESZJQIVSA-N 2 1 325.541 3.170 20 0 EGADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496700059 459292406 /nfs/dbraw/zinc/29/24/06/459292406.db2.gz JJCMDFSFWLBMNK-OAHLLOKOSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496700059 459292411 /nfs/dbraw/zinc/29/24/11/459292411.db2.gz JJCMDFSFWLBMNK-OAHLLOKOSA-N 2 1 339.524 3.096 20 0 EGADMP [NH3+]Cc1cn([C@H]2CCC[N@H+](C3c4ccccc4-c4ccccc43)C2)nn1 ZINC000582113099 459309525 /nfs/dbraw/zinc/30/95/25/459309525.db2.gz WCNGHROYCZJYBL-INIZCTEOSA-N 2 1 345.450 3.144 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1C(C)(C)C ZINC000534351891 459321423 /nfs/dbraw/zinc/32/14/23/459321423.db2.gz HKQLUSYCKBBMMI-SJORKVTESA-N 2 1 345.531 3.222 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)[NH+]1CCCCC1 ZINC000591158775 459325258 /nfs/dbraw/zinc/32/52/58/459325258.db2.gz HUFDGWZRQXQMPR-IBGZPJMESA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1 ZINC000591202409 459332204 /nfs/dbraw/zinc/33/22/04/459332204.db2.gz OOAVBWZJXOQZDZ-FQEVSTJZSA-N 2 1 345.531 3.475 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000569101335 459395928 /nfs/dbraw/zinc/39/59/28/459395928.db2.gz JPSBCTQARRAGEB-HNJRGHQBSA-N 2 1 343.515 3.330 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([S@@](C)=O)cc1 ZINC000596095405 459518357 /nfs/dbraw/zinc/51/83/57/459518357.db2.gz QDJDJUAOQMHUPG-WSZRMNBISA-N 2 1 334.529 3.197 20 0 EGADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000497867574 459562069 /nfs/dbraw/zinc/56/20/69/459562069.db2.gz KQJHDRIQHPILCN-IXDOHACOSA-N 2 1 326.525 3.454 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000562473722 459569411 /nfs/dbraw/zinc/56/94/11/459569411.db2.gz JNHJBDSNGZOEJR-PMACEKPBSA-N 2 1 329.532 3.385 20 0 EGADMP COC(=O)c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C)s1 ZINC000592491622 459613434 /nfs/dbraw/zinc/61/34/34/459613434.db2.gz BIWJNFKFJFQHAU-CABCVRRESA-N 2 1 336.501 3.055 20 0 EGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCN(C(C)(C)C)C3=O)CC2)C1 ZINC000584231630 459686373 /nfs/dbraw/zinc/68/63/73/459686373.db2.gz GYUUROZYJWBENL-KBAYOESNSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCC[C@@H](C)CC3)CC2)CC1 ZINC000573860742 459746810 /nfs/dbraw/zinc/74/68/10/459746810.db2.gz AOFLJMKWAJOQHR-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3c(C)cccc3C)CC2)CC1 ZINC000584479013 459750267 /nfs/dbraw/zinc/75/02/67/459750267.db2.gz IRZUEIIYSILODC-UHFFFAOYSA-N 2 1 343.515 3.438 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC34CC(C3)CO4)[C@H]3CCC[C@H]32)cc1 ZINC000527978732 459786431 /nfs/dbraw/zinc/78/64/31/459786431.db2.gz GITLLTGFOBLZMP-COPLXBQBSA-N 2 1 326.484 3.198 20 0 EGADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000566415216 459862629 /nfs/dbraw/zinc/86/26/29/459862629.db2.gz YMAMOLXMRIACOZ-HXUWFJFHSA-N 2 1 338.499 3.396 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593733969 459966992 /nfs/dbraw/zinc/96/69/92/459966992.db2.gz PMCNLWZVJWYXOL-XOBRGWDASA-N 2 1 342.439 3.170 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593733969 459966998 /nfs/dbraw/zinc/96/69/98/459966998.db2.gz PMCNLWZVJWYXOL-XOBRGWDASA-N 2 1 342.439 3.170 20 0 EGADMP COc1nc2ccccc2cc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000575600659 459977713 /nfs/dbraw/zinc/97/77/13/459977713.db2.gz ZURJSZMIVSMYRT-QFBILLFUSA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000575600659 459977719 /nfs/dbraw/zinc/97/77/19/459977719.db2.gz ZURJSZMIVSMYRT-QFBILLFUSA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000575600659 459977727 /nfs/dbraw/zinc/97/77/27/459977727.db2.gz ZURJSZMIVSMYRT-QFBILLFUSA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000575600659 459977735 /nfs/dbraw/zinc/97/77/35/459977735.db2.gz ZURJSZMIVSMYRT-QFBILLFUSA-N 2 1 325.456 3.160 20 0 EGADMP COC(=O)c1csc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC000602530740 459985049 /nfs/dbraw/zinc/98/50/49/459985049.db2.gz GQFGMRAZTSXKBX-UHFFFAOYSA-N 2 1 336.501 3.279 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c2ccccc21 ZINC000621751466 460047532 /nfs/dbraw/zinc/04/75/32/460047532.db2.gz HGETUZKGQYDEOH-HKUYNNGSSA-N 2 1 329.488 3.194 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602683018 460063797 /nfs/dbraw/zinc/06/37/97/460063797.db2.gz ZZNRBOTVIQLUQA-RSPOEFSDSA-N 2 1 342.483 3.286 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602683018 460063800 /nfs/dbraw/zinc/06/38/00/460063800.db2.gz ZZNRBOTVIQLUQA-RSPOEFSDSA-N 2 1 342.483 3.286 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ccc(F)c(F)c3)C2)CC1 ZINC000610250482 460097248 /nfs/dbraw/zinc/09/72/48/460097248.db2.gz RFQCYTNJEKJHPQ-RDJZCZTQSA-N 2 1 337.458 3.126 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc(F)c(F)c3)C2)CC1 ZINC000610250482 460097258 /nfs/dbraw/zinc/09/72/58/460097258.db2.gz RFQCYTNJEKJHPQ-RDJZCZTQSA-N 2 1 337.458 3.126 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000576811668 460217627 /nfs/dbraw/zinc/21/76/27/460217627.db2.gz KKPOUFHCUDQLCB-IYBDPMFKSA-N 2 1 349.485 3.361 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000576811668 460217632 /nfs/dbraw/zinc/21/76/32/460217632.db2.gz KKPOUFHCUDQLCB-IYBDPMFKSA-N 2 1 349.485 3.361 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000576811668 460217637 /nfs/dbraw/zinc/21/76/37/460217637.db2.gz KKPOUFHCUDQLCB-IYBDPMFKSA-N 2 1 349.485 3.361 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000599311619 460226596 /nfs/dbraw/zinc/22/65/96/460226596.db2.gz ZFLRWTMUBGWTCF-XLIONFOSSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000599311619 460226600 /nfs/dbraw/zinc/22/66/00/460226600.db2.gz ZFLRWTMUBGWTCF-XLIONFOSSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000599311619 460226604 /nfs/dbraw/zinc/22/66/04/460226604.db2.gz ZFLRWTMUBGWTCF-XLIONFOSSA-N 2 1 343.515 3.019 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CC)C[C@@H]2CC)cc1 ZINC000622651727 460290171 /nfs/dbraw/zinc/29/01/71/460290171.db2.gz PXNWLBYTIGGNDJ-FQEVSTJZSA-N 2 1 345.531 3.475 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](CC)C[C@@H]2CC)cc1 ZINC000622651727 460290176 /nfs/dbraw/zinc/29/01/76/460290176.db2.gz PXNWLBYTIGGNDJ-FQEVSTJZSA-N 2 1 345.531 3.475 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](CC)C[C@@H]2CC)cc1 ZINC000622651727 460290181 /nfs/dbraw/zinc/29/01/81/460290181.db2.gz PXNWLBYTIGGNDJ-FQEVSTJZSA-N 2 1 345.531 3.475 20 0 EGADMP FC(F)Oc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000603516738 460314644 /nfs/dbraw/zinc/31/46/44/460314644.db2.gz CSMBBHGMBLKBDU-QGZVFWFLSA-N 2 1 340.414 3.021 20 0 EGADMP FC(F)Oc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000603516736 460314893 /nfs/dbraw/zinc/31/48/93/460314893.db2.gz CSMBBHGMBLKBDU-KRWDZBQOSA-N 2 1 340.414 3.021 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631668599 460501050 /nfs/dbraw/zinc/50/10/50/460501050.db2.gz ZTADPIHJQBKFMN-GJYPPUQNSA-N 2 1 326.488 3.147 20 0 EGADMP CCC[NH+]1CCC(NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631668120 460501168 /nfs/dbraw/zinc/50/11/68/460501168.db2.gz VSNBRNMXHKLFOE-UYAOXDASSA-N 2 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631668120 460501173 /nfs/dbraw/zinc/50/11/73/460501173.db2.gz VSNBRNMXHKLFOE-UYAOXDASSA-N 3 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631668120 460501180 /nfs/dbraw/zinc/50/11/80/460501180.db2.gz VSNBRNMXHKLFOE-UYAOXDASSA-N 3 1 329.532 3.219 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[NH+](C)C2)cc1 ZINC000628756204 460531552 /nfs/dbraw/zinc/53/15/52/460531552.db2.gz QTATXEKSNXLMOJ-IBGZPJMESA-N 2 1 345.531 3.380 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000628756204 460531556 /nfs/dbraw/zinc/53/15/56/460531556.db2.gz QTATXEKSNXLMOJ-IBGZPJMESA-N 2 1 345.531 3.380 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000628756204 460531561 /nfs/dbraw/zinc/53/15/61/460531561.db2.gz QTATXEKSNXLMOJ-IBGZPJMESA-N 2 1 345.531 3.380 20 0 EGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635482065 460804097 /nfs/dbraw/zinc/80/40/97/460804097.db2.gz FWFVTJIAVJBOSP-FQEVSTJZSA-N 2 1 343.515 3.114 20 0 EGADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629563356 460810807 /nfs/dbraw/zinc/81/08/07/460810807.db2.gz DRZREIUPZORMJT-GOEBONIOSA-N 2 1 330.394 3.141 20 0 EGADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629563356 460810813 /nfs/dbraw/zinc/81/08/13/460810813.db2.gz DRZREIUPZORMJT-GOEBONIOSA-N 2 1 330.394 3.141 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(F)c3cccnc23)CC[C@H]1C(F)(F)F ZINC000629563090 460811641 /nfs/dbraw/zinc/81/16/41/460811641.db2.gz PUQLKAOMQISEGS-GXTWGEPZSA-N 2 1 341.352 3.333 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(F)c3cccnc23)CC[C@H]1C(F)(F)F ZINC000629563090 460811644 /nfs/dbraw/zinc/81/16/44/460811644.db2.gz PUQLKAOMQISEGS-GXTWGEPZSA-N 2 1 341.352 3.333 20 0 EGADMP C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624121764 460871590 /nfs/dbraw/zinc/87/15/90/460871590.db2.gz CRWKMFSINITCQL-SESVDKBCSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](NC[C@@H]1CCCC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624121764 460871592 /nfs/dbraw/zinc/87/15/92/460871592.db2.gz CRWKMFSINITCQL-SESVDKBCSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](NC[C@@H]1CCCC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624121764 460871594 /nfs/dbraw/zinc/87/15/94/460871594.db2.gz CRWKMFSINITCQL-SESVDKBCSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624121764 460871595 /nfs/dbraw/zinc/87/15/95/460871595.db2.gz CRWKMFSINITCQL-SESVDKBCSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624121764 460871597 /nfs/dbraw/zinc/87/15/97/460871597.db2.gz CRWKMFSINITCQL-SESVDKBCSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624121764 460871599 /nfs/dbraw/zinc/87/15/99/460871599.db2.gz CRWKMFSINITCQL-SESVDKBCSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624121764 460871601 /nfs/dbraw/zinc/87/16/01/460871601.db2.gz CRWKMFSINITCQL-SESVDKBCSA-N 3 1 329.532 3.219 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624122180 460872758 /nfs/dbraw/zinc/87/27/58/460872758.db2.gz LQYQIFSYLZANLU-GOEBONIOSA-N 2 1 333.476 3.036 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624122180 460872763 /nfs/dbraw/zinc/87/27/63/460872763.db2.gz LQYQIFSYLZANLU-GOEBONIOSA-N 2 1 333.476 3.036 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000632902098 460878420 /nfs/dbraw/zinc/87/84/20/460878420.db2.gz MZOLOIKDPZXRDG-GDBMZVCRSA-N 2 1 341.459 3.008 20 0 EGADMP CCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000629971144 460980524 /nfs/dbraw/zinc/98/05/24/460980524.db2.gz ASOBMPOVQKTMQC-YLJYHZDGSA-N 2 1 343.515 3.155 20 0 EGADMP CCN(C(=O)C[N@H+](C)C1CCC1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000629971144 460980530 /nfs/dbraw/zinc/98/05/30/460980530.db2.gz ASOBMPOVQKTMQC-YLJYHZDGSA-N 2 1 343.515 3.155 20 0 EGADMP CCN(C(=O)C[N@@H+](C)C1CCC1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000629971144 460980533 /nfs/dbraw/zinc/98/05/33/460980533.db2.gz ASOBMPOVQKTMQC-YLJYHZDGSA-N 2 1 343.515 3.155 20 0 EGADMP CCOc1cncc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000621343649 460998361 /nfs/dbraw/zinc/99/83/61/460998361.db2.gz MFLRFHCUNMKJCC-PXNSSMCTSA-N 2 1 339.483 3.481 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628216942 461053001 /nfs/dbraw/zinc/05/30/01/461053001.db2.gz GHOQIZCLGSJLQF-QGZVFWFLSA-N 2 1 344.421 3.074 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)C1 ZINC000652349316 461141776 /nfs/dbraw/zinc/14/17/76/461141776.db2.gz KLRJBVBKXDERRA-LXZKKBNFSA-N 2 1 347.484 3.121 20 0 EGADMP Cc1ccc(OCCC[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1C ZINC000652348132 461142283 /nfs/dbraw/zinc/14/22/83/461142283.db2.gz VKWQONPWOQKXMA-ZJOUEHCJSA-N 2 1 346.515 3.291 20 0 EGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652349681 461144471 /nfs/dbraw/zinc/14/44/71/461144471.db2.gz YVZJZQPALMYTNU-YEWWUXTCSA-N 2 1 338.879 3.067 20 0 EGADMP C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc3ccccc32)[C@H]1CC[NH3+] ZINC000652353557 461147538 /nfs/dbraw/zinc/14/75/38/461147538.db2.gz QPCNLEAYEGKPRD-BEFAXECRSA-N 2 1 325.456 3.228 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc3ccccc32)[C@H]1CC[NH3+] ZINC000652353557 461147549 /nfs/dbraw/zinc/14/75/49/461147549.db2.gz QPCNLEAYEGKPRD-BEFAXECRSA-N 2 1 325.456 3.228 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H](c2ccsc2)O1 ZINC000662257157 461147673 /nfs/dbraw/zinc/14/76/73/461147673.db2.gz NLXMXGDBGNICFZ-KUHUBIRLSA-N 2 1 328.481 3.356 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H](c2ccsc2)O1 ZINC000662257157 461147681 /nfs/dbraw/zinc/14/76/81/461147681.db2.gz NLXMXGDBGNICFZ-KUHUBIRLSA-N 2 1 328.481 3.356 20 0 EGADMP Cc1cccc2[nH]c(C[N@H+](C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)cc21 ZINC000668161994 461148394 /nfs/dbraw/zinc/14/83/94/461148394.db2.gz LGGSSDWRALKBMY-IBGZPJMESA-N 2 1 340.515 3.077 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000668169743 461153858 /nfs/dbraw/zinc/15/38/58/461153858.db2.gz YTFOJPQHLNBQNZ-FXAWDEMLSA-N 2 1 346.515 3.264 20 0 EGADMP CCc1nocc1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000662270816 461157677 /nfs/dbraw/zinc/15/76/77/461157677.db2.gz OPNXJAUBRCUWLB-XLIONFOSSA-N 2 1 327.472 3.409 20 0 EGADMP C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290936 461167847 /nfs/dbraw/zinc/16/78/47/461167847.db2.gz AFJCWFOISHZKBJ-FUHWJXTLSA-N 2 1 339.487 3.040 20 0 EGADMP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000662294441 461173154 /nfs/dbraw/zinc/17/31/54/461173154.db2.gz FAWVQXPHMVQULK-ACRUOGEOSA-N 2 1 338.495 3.371 20 0 EGADMP CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313384 461185958 /nfs/dbraw/zinc/18/59/58/461185958.db2.gz LTLXFTCGCRZBPP-CRAIPNDOSA-N 2 1 331.504 3.335 20 0 EGADMP Cc1csc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)n1 ZINC000662328110 461195356 /nfs/dbraw/zinc/19/53/56/461195356.db2.gz YPTLIZXHFONAKN-UHFFFAOYSA-N 2 1 345.516 3.021 20 0 EGADMP Cc1csc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)n1 ZINC000662328110 461195372 /nfs/dbraw/zinc/19/53/72/461195372.db2.gz YPTLIZXHFONAKN-UHFFFAOYSA-N 2 1 345.516 3.021 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](NC)c1cccc(Cl)c1Cl ZINC000662439872 461241621 /nfs/dbraw/zinc/24/16/21/461241621.db2.gz QNSLMKOXCSIYAJ-XHDPSFHLSA-N 2 1 346.302 3.100 20 0 EGADMP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662439872 461241633 /nfs/dbraw/zinc/24/16/33/461241633.db2.gz QNSLMKOXCSIYAJ-XHDPSFHLSA-N 2 1 346.302 3.100 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662439872 461241638 /nfs/dbraw/zinc/24/16/38/461241638.db2.gz QNSLMKOXCSIYAJ-XHDPSFHLSA-N 2 1 346.302 3.100 20 0 EGADMP CCCN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000646421049 461249927 /nfs/dbraw/zinc/24/99/27/461249927.db2.gz QCDQIFQSQMJFNN-HKUYNNGSSA-N 2 1 344.503 3.184 20 0 EGADMP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000638120845 461253365 /nfs/dbraw/zinc/25/33/65/461253365.db2.gz APUZRNPHDCLWBK-VYDXJSESSA-N 2 1 337.533 3.011 20 0 EGADMP CCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)c(-c2ccccc2)n1 ZINC000641713911 461333751 /nfs/dbraw/zinc/33/37/51/461333751.db2.gz VLBZHNWOQFCEAF-KRWDZBQOSA-N 2 1 326.488 3.392 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638280407 461346367 /nfs/dbraw/zinc/34/63/67/461346367.db2.gz FJOPRXALYYLQKT-TYPHKJRUSA-N 2 1 327.516 3.428 20 0 EGADMP CC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638280407 461346379 /nfs/dbraw/zinc/34/63/79/461346379.db2.gz FJOPRXALYYLQKT-TYPHKJRUSA-N 2 1 327.516 3.428 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2[NH2+]CCC2(C)C)c1 ZINC000662685350 461348004 /nfs/dbraw/zinc/34/80/04/461348004.db2.gz ROPRZZOMZYJYCN-QGZVFWFLSA-N 2 1 340.471 3.381 20 0 EGADMP COc1cc(C[C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000638302756 461354737 /nfs/dbraw/zinc/35/47/37/461354737.db2.gz WYXPDEAFCIONMR-KRWDZBQOSA-N 2 1 339.483 3.275 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000655704931 461376424 /nfs/dbraw/zinc/37/64/24/461376424.db2.gz QPFBZSSCLZDZQY-UHFFFAOYSA-N 2 1 330.451 3.285 20 0 EGADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)CC2 ZINC000655715921 461385183 /nfs/dbraw/zinc/38/51/83/461385183.db2.gz KJRMUKARERJIEA-FQEVSTJZSA-N 2 1 329.532 3.154 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000655719507 461388872 /nfs/dbraw/zinc/38/88/72/461388872.db2.gz KIKZDMYTPVBOMS-SFHVURJKSA-N 2 1 326.488 3.311 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000655719507 461388880 /nfs/dbraw/zinc/38/88/80/461388880.db2.gz KIKZDMYTPVBOMS-SFHVURJKSA-N 2 1 326.488 3.311 20 0 EGADMP Fc1cccc(C2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)c1 ZINC000655723987 461393129 /nfs/dbraw/zinc/39/31/29/461393129.db2.gz KHSVOUCMMZLBGZ-IBGZPJMESA-N 2 1 332.463 3.090 20 0 EGADMP Fc1ccc2[nH]cc(CCC[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)c2c1 ZINC000655763504 461429663 /nfs/dbraw/zinc/42/96/63/461429663.db2.gz OREUCUWTWXODSK-GOSISDBHSA-N 2 1 345.462 3.083 20 0 EGADMP Clc1ccc2c(ccn2CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655766531 461431404 /nfs/dbraw/zinc/43/14/04/461431404.db2.gz IBMVHAYROUMRTI-SFHVURJKSA-N 2 1 347.890 3.138 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)CC[NH+]2CCCCC2)cc1 ZINC000652989075 461440258 /nfs/dbraw/zinc/44/02/58/461440258.db2.gz VRDAQYGUQLFNGI-UHFFFAOYSA-N 2 1 345.531 3.476 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000647010563 461480950 /nfs/dbraw/zinc/48/09/50/461480950.db2.gz SUNYKRBPFQAUTI-HKUYNNGSSA-N 2 1 331.504 3.118 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631042813 461497000 /nfs/dbraw/zinc/49/70/00/461497000.db2.gz TZYQMZXXRIBRPC-INIZCTEOSA-N 2 1 325.456 3.309 20 0 EGADMP Cn1cc(CCC[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000638670798 461525754 /nfs/dbraw/zinc/52/57/54/461525754.db2.gz LAJAOEACJSKNSF-AEFFLSMTSA-N 2 1 332.517 3.087 20 0 EGADMP Cn1cc(CCC[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000638670798 461525765 /nfs/dbraw/zinc/52/57/65/461525765.db2.gz LAJAOEACJSKNSF-AEFFLSMTSA-N 2 1 332.517 3.087 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000659983919 461529011 /nfs/dbraw/zinc/52/90/11/461529011.db2.gz YEGCJLUBJRXIGT-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+]1CCC[C@H]2C[NH+](CCSc3ccc(F)cc3F)CC[C@@H]21 ZINC000660010687 461545206 /nfs/dbraw/zinc/54/52/06/461545206.db2.gz KVPHUPJHFBPYBR-BBRMVZONSA-N 2 1 326.456 3.473 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](CCSc3ccc(F)cc3F)CC[C@@H]21 ZINC000660010687 461545211 /nfs/dbraw/zinc/54/52/11/461545211.db2.gz KVPHUPJHFBPYBR-BBRMVZONSA-N 2 1 326.456 3.473 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](CCSc3ccc(F)cc3F)CC[C@@H]21 ZINC000660010687 461545219 /nfs/dbraw/zinc/54/52/19/461545219.db2.gz KVPHUPJHFBPYBR-BBRMVZONSA-N 2 1 326.456 3.473 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCSc3ccc(F)cc3F)CC[C@@H]21 ZINC000660010687 461545227 /nfs/dbraw/zinc/54/52/27/461545227.db2.gz KVPHUPJHFBPYBR-BBRMVZONSA-N 2 1 326.456 3.473 20 0 EGADMP CC(C)Cn1nccc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000647179316 461548200 /nfs/dbraw/zinc/54/82/00/461548200.db2.gz PQGZWAIORIKQCU-HXUWFJFHSA-N 2 1 340.515 3.193 20 0 EGADMP CC(C)Cn1nccc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000647179316 461548207 /nfs/dbraw/zinc/54/82/07/461548207.db2.gz PQGZWAIORIKQCU-HXUWFJFHSA-N 2 1 340.515 3.193 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@](C)([NH3+])c1ccccc1)C1CCCCC1 ZINC000653201090 461556411 /nfs/dbraw/zinc/55/64/11/461556411.db2.gz ZSTZHZUWBUHESP-HXUWFJFHSA-N 2 1 331.504 3.021 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@H]3C3CC3)CC23CC3)cc1 ZINC000647197368 461558628 /nfs/dbraw/zinc/55/86/28/461558628.db2.gz PUKQTLIMHVHJKX-ZCNNSNEGSA-N 2 1 326.484 3.341 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@H]3C3CC3)CC23CC3)cc1 ZINC000647197368 461558634 /nfs/dbraw/zinc/55/86/34/461558634.db2.gz PUKQTLIMHVHJKX-ZCNNSNEGSA-N 2 1 326.484 3.341 20 0 EGADMP OC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638760333 461564778 /nfs/dbraw/zinc/56/47/78/461564778.db2.gz OMIZYFYZWYJGFZ-VELGLUOQSA-N 2 1 328.500 3.495 20 0 EGADMP OC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638760333 461564788 /nfs/dbraw/zinc/56/47/88/461564788.db2.gz OMIZYFYZWYJGFZ-VELGLUOQSA-N 2 1 328.500 3.495 20 0 EGADMP c1cc2c(cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)OCCCCO2 ZINC000663344010 461570635 /nfs/dbraw/zinc/57/06/35/461570635.db2.gz LYSASFDWCPYDJA-IBGZPJMESA-N 2 1 344.499 3.450 20 0 EGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000663346983 461576144 /nfs/dbraw/zinc/57/61/44/461576144.db2.gz DSPDIXNEJIMMHJ-MRXNPFEDSA-N 2 1 328.460 3.190 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+](CC3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000663347076 461576687 /nfs/dbraw/zinc/57/66/87/461576687.db2.gz ZCINKIYLZBWBTN-STZQEDGTSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000663347076 461576694 /nfs/dbraw/zinc/57/66/94/461576694.db2.gz ZCINKIYLZBWBTN-STZQEDGTSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000663347076 461576703 /nfs/dbraw/zinc/57/67/03/461576703.db2.gz ZCINKIYLZBWBTN-STZQEDGTSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CN1Cc1ccccc1 ZINC000663347076 461576708 /nfs/dbraw/zinc/57/67/08/461576708.db2.gz ZCINKIYLZBWBTN-STZQEDGTSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CN1Cc1ccccc1 ZINC000663347076 461576713 /nfs/dbraw/zinc/57/67/13/461576713.db2.gz ZCINKIYLZBWBTN-STZQEDGTSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000650146425 461598642 /nfs/dbraw/zinc/59/86/42/461598642.db2.gz ARORQOQDAXDBJI-KZNAEPCWSA-N 2 1 343.515 3.226 20 0 EGADMP CC(C)COc1ccc(C(C)(C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000660197703 461630525 /nfs/dbraw/zinc/63/05/25/461630525.db2.gz NTMDXGQNBQTGAD-SFHVURJKSA-N 2 1 336.520 3.247 20 0 EGADMP CC(C)COc1ccc(C(C)(C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000660197703 461630536 /nfs/dbraw/zinc/63/05/36/461630536.db2.gz NTMDXGQNBQTGAD-SFHVURJKSA-N 2 1 336.520 3.247 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000660256356 461669497 /nfs/dbraw/zinc/66/94/97/461669497.db2.gz KSBNRWKBXBYWEA-KKUMJFAQSA-N 2 1 346.437 3.488 20 0 EGADMP C[N@@H+](Cc1cccc(C2CC2)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643293545 461670015 /nfs/dbraw/zinc/67/00/15/461670015.db2.gz RPOZBWBVGOSOKS-NRFANRHFSA-N 2 1 327.516 3.164 20 0 EGADMP Cc1nc2c(n1[C@H]1CC[N@H+]([C@H](C)c3cnc(C)nc3C)C1)CCCC2 ZINC000639076815 461710213 /nfs/dbraw/zinc/71/02/13/461710213.db2.gz RHSVBOCQAJTBPM-PBHICJAKSA-N 2 1 339.487 3.485 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000663584000 461712721 /nfs/dbraw/zinc/71/27/21/461712721.db2.gz ZZERVOCMVHSCKG-FQEVSTJZSA-N 2 1 344.503 3.325 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000653569467 461727366 /nfs/dbraw/zinc/72/73/66/461727366.db2.gz SKKCHNSVPCEVOC-UHFFFAOYSA-N 2 1 327.350 3.383 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000653569467 461727373 /nfs/dbraw/zinc/72/73/73/461727373.db2.gz SKKCHNSVPCEVOC-UHFFFAOYSA-N 2 1 327.350 3.383 20 0 EGADMP Fc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1Br ZINC000647482963 461730752 /nfs/dbraw/zinc/73/07/52/461730752.db2.gz NBGRDWBXIACSCH-UHFFFAOYSA-N 2 1 327.241 3.305 20 0 EGADMP Fc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1Br ZINC000647482963 461730762 /nfs/dbraw/zinc/73/07/62/461730762.db2.gz NBGRDWBXIACSCH-UHFFFAOYSA-N 2 1 327.241 3.305 20 0 EGADMP CC(C)(C)C(=O)N1CCC([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000643461986 461734845 /nfs/dbraw/zinc/73/48/45/461734845.db2.gz IQLHNLLLFKUYIT-RBUKOAKNSA-N 2 1 343.515 3.106 20 0 EGADMP CC[C@@H]1C[N@H+](Cc2cn(-c3ccc(Cl)cc3)nc2C)CC[C@H]1[NH3+] ZINC000647498106 461736110 /nfs/dbraw/zinc/73/61/10/461736110.db2.gz AFIHXRWBDSMVSR-RDTXWAMCSA-N 2 1 332.879 3.393 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2cn(-c3ccc(Cl)cc3)nc2C)CC[C@H]1[NH3+] ZINC000647498106 461736119 /nfs/dbraw/zinc/73/61/19/461736119.db2.gz AFIHXRWBDSMVSR-RDTXWAMCSA-N 2 1 332.879 3.393 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2c(C)nn(Cc3ccccc3)c2C)CC[C@H]1[NH3+] ZINC000647498254 461737400 /nfs/dbraw/zinc/73/74/00/461737400.db2.gz DEDJTDDBEFDHQP-UYAOXDASSA-N 2 1 326.488 3.107 20 0 EGADMP [NH3+]CC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000643480297 461743061 /nfs/dbraw/zinc/74/30/61/461743061.db2.gz SMYUUNAQQRBJNS-NNRACAPJSA-N 3 1 341.543 3.394 20 0 EGADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CCO2 ZINC000643482389 461743566 /nfs/dbraw/zinc/74/35/66/461743566.db2.gz FXNYDKZFVYQIIX-QXCFHYIPSA-N 2 1 330.472 3.419 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)s2)cn1 ZINC000647542672 461754259 /nfs/dbraw/zinc/75/42/59/461754259.db2.gz AAJFYBPPAYNARY-JKSUJKDBSA-N 2 1 344.528 3.360 20 0 EGADMP c1cc(CCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647542742 461755186 /nfs/dbraw/zinc/75/51/86/461755186.db2.gz BHUBUWZHXWDSFW-UXHICEINSA-N 2 1 328.500 3.266 20 0 EGADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543280 461757431 /nfs/dbraw/zinc/75/74/31/461757431.db2.gz KJAUNKCYTUZQAK-RTBURBONSA-N 2 1 338.499 3.392 20 0 EGADMP COc1cc(C)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543567 461758725 /nfs/dbraw/zinc/75/87/25/461758725.db2.gz PNRRBLKWXDGKAL-IRXDYDNUSA-N 2 1 332.488 3.224 20 0 EGADMP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543921 461760083 /nfs/dbraw/zinc/76/00/83/461760083.db2.gz ULIJWMLVZHHYDQ-CABCVRRESA-N 2 1 330.501 3.350 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@H+]1CC[C@@H](C3CC[NH+](C)CC3)C1)CC2 ZINC000639177031 461782960 /nfs/dbraw/zinc/78/29/60/461782960.db2.gz OMKXUKMOJOAITR-MJGOQNOKSA-N 2 1 344.499 3.355 20 0 EGADMP Cc1nccnc1CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639208808 461803584 /nfs/dbraw/zinc/80/35/84/461803584.db2.gz DQMJBYJLSCQDGJ-NQIIRXRSSA-N 2 1 336.483 3.285 20 0 EGADMP Cc1nccnc1CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639208808 461803589 /nfs/dbraw/zinc/80/35/89/461803589.db2.gz DQMJBYJLSCQDGJ-NQIIRXRSSA-N 2 1 336.483 3.285 20 0 EGADMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC000639216710 461808798 /nfs/dbraw/zinc/80/87/98/461808798.db2.gz ZZJGYLKBYQGQMR-GOSISDBHSA-N 2 1 338.442 3.167 20 0 EGADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000639244759 461824218 /nfs/dbraw/zinc/82/42/18/461824218.db2.gz OWTGZVAYVRFNQW-NQIIRXRSSA-N 2 1 336.483 3.285 20 0 EGADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000639244759 461824221 /nfs/dbraw/zinc/82/42/21/461824221.db2.gz OWTGZVAYVRFNQW-NQIIRXRSSA-N 2 1 336.483 3.285 20 0 EGADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000653775608 461853195 /nfs/dbraw/zinc/85/31/95/461853195.db2.gz AXWVQXVAVDMSHH-OAQYLSRUSA-N 2 1 340.515 3.338 20 0 EGADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000653775608 461853197 /nfs/dbraw/zinc/85/31/97/461853197.db2.gz AXWVQXVAVDMSHH-OAQYLSRUSA-N 2 1 340.515 3.338 20 0 EGADMP c1cn(-c2csc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c2)cn1 ZINC000656783604 461892340 /nfs/dbraw/zinc/89/23/40/461892340.db2.gz RARIWTMNPHLHBT-INIZCTEOSA-N 2 1 330.501 3.145 20 0 EGADMP c1sc(-c2ccccn2)nc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784377 461893522 /nfs/dbraw/zinc/89/35/22/461893522.db2.gz CVPZAUSUIRCPGO-INIZCTEOSA-N 2 1 342.512 3.417 20 0 EGADMP Cn1c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc2ccc(Cl)cc21 ZINC000656784745 461894181 /nfs/dbraw/zinc/89/41/81/461894181.db2.gz GTZWFIMRKZEPRQ-HNNXBMFYSA-N 2 1 346.906 3.438 20 0 EGADMP Brc1cncc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000656785250 461895852 /nfs/dbraw/zinc/89/58/52/461895852.db2.gz FYMKOJUQZGWQCT-OAHLLOKOSA-N 2 1 338.293 3.056 20 0 EGADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cnc21 ZINC000656786982 461898541 /nfs/dbraw/zinc/89/85/41/461898541.db2.gz YWZAVAWJMHXCFB-SFHVURJKSA-N 2 1 341.503 3.224 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)ccc1OC(F)F ZINC000666999498 461905786 /nfs/dbraw/zinc/90/57/86/461905786.db2.gz PWNGQSLLQPTXKZ-ZDUSSCGKSA-N 2 1 326.387 3.061 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CNc4ccccc4C3)CC2)cc1 ZINC000650716313 461908554 /nfs/dbraw/zinc/90/85/54/461908554.db2.gz XCYZQYLVZLZYJW-OAQYLSRUSA-N 2 1 335.495 3.320 20 0 EGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1-c1ccccc1 ZINC000647961590 461910595 /nfs/dbraw/zinc/91/05/95/461910595.db2.gz RTODYBDHVMOGBF-HXUWFJFHSA-N 2 1 326.484 3.487 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1-c1ccccc1 ZINC000647961590 461910602 /nfs/dbraw/zinc/91/06/02/461910602.db2.gz RTODYBDHVMOGBF-HXUWFJFHSA-N 2 1 326.484 3.487 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000647961590 461910608 /nfs/dbraw/zinc/91/06/08/461910608.db2.gz RTODYBDHVMOGBF-HXUWFJFHSA-N 2 1 326.484 3.487 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000647961590 461910614 /nfs/dbraw/zinc/91/06/14/461910614.db2.gz RTODYBDHVMOGBF-HXUWFJFHSA-N 2 1 326.484 3.487 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccnc3ccccc23)C1 ZINC000650723994 461916369 /nfs/dbraw/zinc/91/63/69/461916369.db2.gz WQQLAFZXJMIKSS-AHRSYUTCSA-N 2 1 325.456 3.096 20 0 EGADMP Fc1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647975666 461917352 /nfs/dbraw/zinc/91/73/52/461917352.db2.gz DIZWJXYAXZLHIF-HOTGVXAUSA-N 2 1 344.434 3.087 20 0 EGADMP Cc1nc2c(n1C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCCC2 ZINC000664048451 461925596 /nfs/dbraw/zinc/92/55/96/461925596.db2.gz HNCZCLDDRYDHNJ-LJQANCHMSA-N 2 1 339.483 3.361 20 0 EGADMP Cc1[nH+]c2c(n1C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CCCC2 ZINC000664048451 461925601 /nfs/dbraw/zinc/92/56/01/461925601.db2.gz HNCZCLDDRYDHNJ-LJQANCHMSA-N 2 1 339.483 3.361 20 0 EGADMP N[C@@H]1C[N@H+](C[C@H]2CCOc3ccccc32)C[C@H]1c1cccc(F)c1 ZINC000667052282 461929999 /nfs/dbraw/zinc/92/99/99/461929999.db2.gz FLJGDKGTXHZZIH-AYOQOUSVSA-N 2 1 326.415 3.119 20 0 EGADMP N[C@@H]1C[N@@H+](C[C@H]2CCOc3ccccc32)C[C@H]1c1cccc(F)c1 ZINC000667052282 461930006 /nfs/dbraw/zinc/93/00/06/461930006.db2.gz FLJGDKGTXHZZIH-AYOQOUSVSA-N 2 1 326.415 3.119 20 0 EGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000648035571 461952067 /nfs/dbraw/zinc/95/20/67/461952067.db2.gz ICIPVVMZPGZICZ-UHFFFAOYSA-N 2 1 330.476 3.296 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000648035571 461952069 /nfs/dbraw/zinc/95/20/69/461952069.db2.gz ICIPVVMZPGZICZ-UHFFFAOYSA-N 2 1 330.476 3.296 20 0 EGADMP CC(C)COc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000648071522 461968814 /nfs/dbraw/zinc/96/88/14/461968814.db2.gz GPIJKLMYZMQBEM-UHFFFAOYSA-N 2 1 332.488 3.018 20 0 EGADMP CC(C)COc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000648071522 461968818 /nfs/dbraw/zinc/96/88/18/461968818.db2.gz GPIJKLMYZMQBEM-UHFFFAOYSA-N 2 1 332.488 3.018 20 0 EGADMP C[C@@H]1OCC[C@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639553587 461985616 /nfs/dbraw/zinc/98/56/16/461985616.db2.gz OQKAWBCSOVQYDS-ICSRJNTNSA-N 2 1 328.500 3.400 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000648150655 461989278 /nfs/dbraw/zinc/98/92/78/461989278.db2.gz ZAZYYGWKHLPFBT-NONVJHHQSA-N 2 1 349.906 3.204 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000648150655 461989286 /nfs/dbraw/zinc/98/92/86/461989286.db2.gz ZAZYYGWKHLPFBT-NONVJHHQSA-N 2 1 349.906 3.204 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657311651 462035804 /nfs/dbraw/zinc/03/58/04/462035804.db2.gz QKEFMDSQNBJHRL-QGZVFWFLSA-N 3 1 338.499 3.351 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CNCc2cnc3n2CCC3)C1 ZINC000657311651 462035806 /nfs/dbraw/zinc/03/58/06/462035806.db2.gz QKEFMDSQNBJHRL-QGZVFWFLSA-N 3 1 338.499 3.351 20 0 EGADMP Cc1c[nH]c(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)n1 ZINC000657313550 462038279 /nfs/dbraw/zinc/03/82/79/462038279.db2.gz JRLBLPDNDKKQDM-HZPDHXFCSA-N 2 1 326.488 3.486 20 0 EGADMP NC(=O)C[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000664384026 462040210 /nfs/dbraw/zinc/04/02/10/462040210.db2.gz DLIMMDDMKGYERR-SFHVURJKSA-N 2 1 343.515 3.150 20 0 EGADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000657338200 462056259 /nfs/dbraw/zinc/05/62/59/462056259.db2.gz IWKFMLATOORBKT-HNNXBMFYSA-N 2 1 344.528 3.361 20 0 EGADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000657338200 462056268 /nfs/dbraw/zinc/05/62/68/462056268.db2.gz IWKFMLATOORBKT-HNNXBMFYSA-N 2 1 344.528 3.361 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)ncn1 ZINC000651280119 462163247 /nfs/dbraw/zinc/16/32/47/462163247.db2.gz MWKSPGAFVDDZLY-NJDAHSKKSA-N 2 1 336.483 3.318 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)ncn1 ZINC000651280119 462163253 /nfs/dbraw/zinc/16/32/53/462163253.db2.gz MWKSPGAFVDDZLY-NJDAHSKKSA-N 2 1 336.483 3.318 20 0 EGADMP c1cc(O[C@@H]2CCOC2)ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000667658725 462194447 /nfs/dbraw/zinc/19/44/47/462194447.db2.gz OUINPHRUCMUWLG-TZIWHRDSSA-N 2 1 344.499 3.305 20 0 EGADMP c1cc(O[C@@H]2CCOC2)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000667658725 462194452 /nfs/dbraw/zinc/19/44/52/462194452.db2.gz OUINPHRUCMUWLG-TZIWHRDSSA-N 2 1 344.499 3.305 20 0 EGADMP Cc1[nH]c2nc[nH+]c(NCc3ccccc3OCC[NH+](C)C)c2c1C ZINC000645144188 462200219 /nfs/dbraw/zinc/20/02/19/462200219.db2.gz MRUOGEHVINGVSH-UHFFFAOYSA-N 2 1 339.443 3.127 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667672812 462206273 /nfs/dbraw/zinc/20/62/73/462206273.db2.gz HWFAYZXLWOVTFH-AZUAARDMSA-N 2 1 332.488 3.018 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667672812 462206280 /nfs/dbraw/zinc/20/62/80/462206280.db2.gz HWFAYZXLWOVTFH-AZUAARDMSA-N 2 1 332.488 3.018 20 0 EGADMP CCC1([NH+]2CCCC2)CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000639988370 462207834 /nfs/dbraw/zinc/20/78/34/462207834.db2.gz QAGBVNQVUXPXRV-UHFFFAOYSA-N 2 1 347.478 3.495 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667727632 462233275 /nfs/dbraw/zinc/23/32/75/462233275.db2.gz DJNAKDNSOQJVQG-HNNXBMFYSA-N 2 1 332.492 3.167 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc3n2CCC3)CC1)CC1CC1 ZINC000667758231 462248597 /nfs/dbraw/zinc/24/85/97/462248597.db2.gz ZOLSPBMJCLPASO-UHFFFAOYSA-N 3 1 330.520 3.163 20 0 EGADMP CCO[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1C ZINC000648741029 462255074 /nfs/dbraw/zinc/25/50/74/462255074.db2.gz KZZVDRYYAJXTFE-NQIIRXRSSA-N 2 1 346.515 3.408 20 0 EGADMP COC1([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CCC1 ZINC000657878366 462305165 /nfs/dbraw/zinc/30/51/65/462305165.db2.gz MJKDHXBVYAZTFU-INIZCTEOSA-N 2 1 335.492 3.051 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCC3)[C@H](C)C1 ZINC000651709574 462311288 /nfs/dbraw/zinc/31/12/88/462311288.db2.gz AFXPWTHMFWBFIX-UTKZUKDTSA-N 2 1 330.516 3.402 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H]3[C@@H]4CCC[C@@H]4C3(C)C)CC2)nc(C)[nH+]1 ZINC000657900502 462311907 /nfs/dbraw/zinc/31/19/07/462311907.db2.gz JSGYOECOYXIZHQ-AOIWGVFYSA-N 2 1 328.504 3.477 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000645471737 462338645 /nfs/dbraw/zinc/33/86/45/462338645.db2.gz AIYJCNCHCPJBHQ-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP C[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000658090806 462379724 /nfs/dbraw/zinc/37/97/24/462379724.db2.gz JRLDQNABJAEXLX-FUHWJXTLSA-N 2 1 333.520 3.150 20 0 EGADMP C[C@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000658090806 462379729 /nfs/dbraw/zinc/37/97/29/462379729.db2.gz JRLDQNABJAEXLX-FUHWJXTLSA-N 2 1 333.520 3.150 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000665277145 462380252 /nfs/dbraw/zinc/38/02/52/462380252.db2.gz UVJXYABXAHCMPR-XUVXKRRUSA-N 2 1 327.516 3.148 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000665277145 462380260 /nfs/dbraw/zinc/38/02/60/462380260.db2.gz UVJXYABXAHCMPR-XUVXKRRUSA-N 3 1 327.516 3.148 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000665277145 462380266 /nfs/dbraw/zinc/38/02/66/462380266.db2.gz UVJXYABXAHCMPR-XUVXKRRUSA-N 3 1 327.516 3.148 20 0 EGADMP Fc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000665283425 462383035 /nfs/dbraw/zinc/38/30/35/462383035.db2.gz NLLOVEZXTVJQRL-RRFJBIMHSA-N 2 1 328.378 3.437 20 0 EGADMP C([NH+]1CC[C@H](C2CCC2)C1)C1(C[N@H+]2CC[C@H](C3CCC3)C2)COC1 ZINC000665288232 462386370 /nfs/dbraw/zinc/38/63/70/462386370.db2.gz HUKNJZKUSQIGGV-PMACEKPBSA-N 2 1 332.532 3.247 20 0 EGADMP CC(C)(C)C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(F)cc1 ZINC000665292210 462388756 /nfs/dbraw/zinc/38/87/56/462388756.db2.gz VXZRMPAZXQOCKD-OAHLLOKOSA-N 2 1 332.423 3.047 20 0 EGADMP COCc1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000668091475 462415720 /nfs/dbraw/zinc/41/57/20/462415720.db2.gz HLHDFPWLAPZRBG-KDURUIRLSA-N 2 1 342.508 3.458 20 0 EGADMP COCc1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000668091475 462415724 /nfs/dbraw/zinc/41/57/24/462415724.db2.gz HLHDFPWLAPZRBG-KDURUIRLSA-N 2 1 342.508 3.458 20 0 EGADMP COCc1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000668091475 462415729 /nfs/dbraw/zinc/41/57/29/462415729.db2.gz HLHDFPWLAPZRBG-KDURUIRLSA-N 2 1 342.508 3.458 20 0 EGADMP COCc1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000668091475 462415733 /nfs/dbraw/zinc/41/57/33/462415733.db2.gz HLHDFPWLAPZRBG-KDURUIRLSA-N 2 1 342.508 3.458 20 0 EGADMP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531467 462430092 /nfs/dbraw/zinc/43/00/92/462430092.db2.gz KISTZWXVIFPSLS-GOSISDBHSA-N 2 1 331.504 3.236 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCc1nc2ccccc2c(=O)[nH]1 ZINC000640533494 462431362 /nfs/dbraw/zinc/43/13/62/462431362.db2.gz SSPQSYUPRVOQFU-UHFFFAOYSA-N 2 1 342.487 3.076 20 0 EGADMP COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC000640533815 462432006 /nfs/dbraw/zinc/43/20/06/462432006.db2.gz WJYUOWZNAMIODA-QGZVFWFLSA-N 2 1 347.503 3.220 20 0 EGADMP c1cc(C[NH+]2CCC(N[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)ccn1 ZINC000658227437 462435119 /nfs/dbraw/zinc/43/51/19/462435119.db2.gz BIAPSPNNVFSKGE-HXUWFJFHSA-N 2 1 342.531 3.043 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652140369 462447487 /nfs/dbraw/zinc/44/74/87/462447487.db2.gz MIUVXGUXMPPQQB-IKGGRYGDSA-N 2 1 348.487 3.380 20 0 EGADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000649243539 462452552 /nfs/dbraw/zinc/45/25/52/462452552.db2.gz MFNVQQQFZDMHSV-WOJBJXKFSA-N 2 1 341.499 3.086 20 0 EGADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000649243539 462452556 /nfs/dbraw/zinc/45/25/56/462452556.db2.gz MFNVQQQFZDMHSV-WOJBJXKFSA-N 2 1 341.499 3.086 20 0 EGADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000649243539 462452560 /nfs/dbraw/zinc/45/25/60/462452560.db2.gz MFNVQQQFZDMHSV-WOJBJXKFSA-N 2 1 341.499 3.086 20 0 EGADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000649243539 462452564 /nfs/dbraw/zinc/45/25/64/462452564.db2.gz MFNVQQQFZDMHSV-WOJBJXKFSA-N 2 1 341.499 3.086 20 0 EGADMP Cc1cc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000649317079 462478523 /nfs/dbraw/zinc/47/85/23/462478523.db2.gz FKINJEDOMLSOHY-IYBDPMFKSA-N 2 1 327.472 3.265 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000649378657 462493331 /nfs/dbraw/zinc/49/33/31/462493331.db2.gz RMPFEZAWBBYXID-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191273434 527955379 /nfs/dbraw/zinc/95/53/79/527955379.db2.gz QRGBJNQZZDZFAN-UHFFFAOYSA-N 2 1 346.515 3.454 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187330516 527984812 /nfs/dbraw/zinc/98/48/12/527984812.db2.gz XGJJAGJMPLJZEN-GOSISDBHSA-N 2 1 343.515 3.053 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2SC)C1 ZINC000173793958 528175717 /nfs/dbraw/zinc/17/57/17/528175717.db2.gz HIRHQLQTMNZQNR-INIZCTEOSA-N 2 1 349.544 3.401 20 0 EGADMP CC(C)N(C)c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cn1 ZINC000191285798 528841636 /nfs/dbraw/zinc/84/16/36/528841636.db2.gz QPOOVVNNGLFMQJ-UHFFFAOYSA-N 2 1 330.520 3.423 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NCCCCn2cc[nH+]c2C)cc1 ZINC000266062885 535602235 /nfs/dbraw/zinc/60/22/35/535602235.db2.gz ISDAXYJDGNSJAZ-UHFFFAOYSA-N 2 1 342.487 3.244 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186362768 538137253 /nfs/dbraw/zinc/13/72/53/538137253.db2.gz BTHWGOUOVFRIAB-CQSZACIVSA-N 2 1 329.444 3.263 20 0 EGADMP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000121395145 546724869 /nfs/dbraw/zinc/72/48/69/546724869.db2.gz RHZUOFMBJQEYAA-DJJJIMSYSA-N 2 1 336.426 3.043 20 0 EGADMP C[C@H](CCN1CCOC2(CCCC2)C1)[N@H+]1CCOC2(CCCC2)C1 ZINC000155090963 546899508 /nfs/dbraw/zinc/89/95/08/546899508.db2.gz WTZNTIJHBCFABH-GOSISDBHSA-N 2 1 336.520 3.055 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCc2cnn(C)c2)CC1 ZINC000158886223 546931241 /nfs/dbraw/zinc/93/12/41/546931241.db2.gz NXHIXPURINLBRT-GOSISDBHSA-N 2 1 332.536 3.329 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000191625385 547187118 /nfs/dbraw/zinc/18/71/18/547187118.db2.gz KDWLKRCCGPXWFH-INIZCTEOSA-N 2 1 330.451 3.322 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000191625385 547187119 /nfs/dbraw/zinc/18/71/19/547187119.db2.gz KDWLKRCCGPXWFH-INIZCTEOSA-N 2 1 330.451 3.322 20 0 EGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000414931610 547861300 /nfs/dbraw/zinc/86/13/00/547861300.db2.gz UUVFZADUILDKBC-KBPBESRZSA-N 2 1 349.276 3.199 20 0 EGADMP C[C@H]1COC(C)(C)C[NH+]1CCCCC[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000488156983 547978733 /nfs/dbraw/zinc/97/87/33/547978733.db2.gz BZNVYJIHBGUMBG-IRXDYDNUSA-N 2 1 326.525 3.155 20 0 EGADMP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000675882021 548996686 /nfs/dbraw/zinc/99/66/86/548996686.db2.gz PLWCDFJDYJXOHD-OXJNMPFZSA-N 2 1 332.488 3.379 20 0 EGADMP COc1ccc(-c2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)on2)cc1 ZINC000675897559 548999523 /nfs/dbraw/zinc/99/95/23/548999523.db2.gz DLEYHRGOBWEAME-OXJNMPFZSA-N 2 1 341.455 3.266 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)on2)cc1 ZINC000675897559 548999529 /nfs/dbraw/zinc/99/95/29/548999529.db2.gz DLEYHRGOBWEAME-OXJNMPFZSA-N 2 1 341.455 3.266 20 0 EGADMP COc1ccc(-c2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)on2)cc1 ZINC000675897559 548999533 /nfs/dbraw/zinc/99/95/33/548999533.db2.gz DLEYHRGOBWEAME-OXJNMPFZSA-N 2 1 341.455 3.266 20 0 EGADMP COc1ccc(-c2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)on2)cc1 ZINC000675897559 548999536 /nfs/dbraw/zinc/99/95/36/548999536.db2.gz DLEYHRGOBWEAME-OXJNMPFZSA-N 2 1 341.455 3.266 20 0 EGADMP COc1ccc(COCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000676712500 549133766 /nfs/dbraw/zinc/13/37/66/549133766.db2.gz JPTLXJGSFLZXCG-WIYYLYMNSA-N 2 1 344.499 3.161 20 0 EGADMP COc1ccc(COCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000676712500 549133768 /nfs/dbraw/zinc/13/37/68/549133768.db2.gz JPTLXJGSFLZXCG-WIYYLYMNSA-N 2 1 344.499 3.161 20 0 EGADMP COc1ccc(COCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000676712500 549133772 /nfs/dbraw/zinc/13/37/72/549133772.db2.gz JPTLXJGSFLZXCG-WIYYLYMNSA-N 2 1 344.499 3.161 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(CO)o2)C[N@H+]1Cc1ccccc1 ZINC000677129214 549214112 /nfs/dbraw/zinc/21/41/12/549214112.db2.gz OEXNWTRUTCDFDN-AEFFLSMTSA-N 2 1 328.456 3.162 20 0 EGADMP c1ccc([C@H](C[NH+]2CCCCC2)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677237097 549234946 /nfs/dbraw/zinc/23/49/46/549234946.db2.gz ASBJXIBTUOAEGD-HKBOAZHASA-N 2 1 327.516 3.430 20 0 EGADMP Cc1ccc(-c2nc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)co2)cc1 ZINC000677237993 549235526 /nfs/dbraw/zinc/23/55/26/549235526.db2.gz UEHGSWYOYOJNIB-MJGOQNOKSA-N 2 1 325.456 3.409 20 0 EGADMP Cc1oc2ccccc2c1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000677520081 549284674 /nfs/dbraw/zinc/28/46/74/549284674.db2.gz QQDSXYFIFZAMDG-KRWDZBQOSA-N 2 1 328.456 3.474 20 0 EGADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678122392 549401971 /nfs/dbraw/zinc/40/19/71/549401971.db2.gz MZRWFJQRWYNJTM-PKOBYXMFSA-N 2 1 332.488 3.161 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCS1 ZINC000678270867 549452954 /nfs/dbraw/zinc/45/29/54/549452954.db2.gz LKIURZWYFOJFAI-LJQANCHMSA-N 2 1 334.529 3.489 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCCc2cccc(Br)c2)CC[N@H+]1C ZINC000678583784 549523994 /nfs/dbraw/zinc/52/39/94/549523994.db2.gz CQABCUVBOOBTRQ-XJKSGUPXSA-N 2 1 325.294 3.454 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCCc2cccc(Br)c2)CC[N@H+]1C ZINC000678583783 549524478 /nfs/dbraw/zinc/52/44/78/549524478.db2.gz CQABCUVBOOBTRQ-CZUORRHYSA-N 2 1 325.294 3.454 20 0 EGADMP CC[C@]1(C)C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000682408388 550095419 /nfs/dbraw/zinc/09/54/19/550095419.db2.gz XNZRZWDZCJFATB-HXUWFJFHSA-N 2 1 332.488 3.162 20 0 EGADMP CC[C@]1(C)C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000682408388 550095421 /nfs/dbraw/zinc/09/54/21/550095421.db2.gz XNZRZWDZCJFATB-HXUWFJFHSA-N 2 1 332.488 3.162 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nccn2-c2ccccc2)CC1 ZINC000682996079 550175611 /nfs/dbraw/zinc/17/56/11/550175611.db2.gz YADGTQGVOLPCAQ-UHFFFAOYSA-N 2 1 326.488 3.425 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nccn2-c2ccccc2)CC1 ZINC000682996079 550175613 /nfs/dbraw/zinc/17/56/13/550175613.db2.gz YADGTQGVOLPCAQ-UHFFFAOYSA-N 2 1 326.488 3.425 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1)C(C)C ZINC000684814802 550372176 /nfs/dbraw/zinc/37/21/76/550372176.db2.gz OLDTZGNIOVSPMJ-RTBURBONSA-N 2 1 331.504 3.129 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000685443804 550416901 /nfs/dbraw/zinc/41/69/01/550416901.db2.gz HKGBDJYRNZDOAH-JWTNVVGKSA-N 2 1 340.471 3.142 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000685443804 550416902 /nfs/dbraw/zinc/41/69/02/550416902.db2.gz HKGBDJYRNZDOAH-JWTNVVGKSA-N 2 1 340.471 3.142 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000685443804 550416905 /nfs/dbraw/zinc/41/69/05/550416905.db2.gz HKGBDJYRNZDOAH-JWTNVVGKSA-N 2 1 340.471 3.142 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000685443804 550416906 /nfs/dbraw/zinc/41/69/06/550416906.db2.gz HKGBDJYRNZDOAH-JWTNVVGKSA-N 2 1 340.471 3.142 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](CCC2CCCCCC2)CC1 ZINC000685444572 550417227 /nfs/dbraw/zinc/41/72/27/550417227.db2.gz JVOQNEZVNDFHDH-UHFFFAOYSA-N 2 1 340.552 3.406 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc2ccccc2[nH]1 ZINC000685456046 550418281 /nfs/dbraw/zinc/41/82/81/550418281.db2.gz NTRSPBUVHYTIQQ-LJQANCHMSA-N 2 1 328.504 3.016 20 0 EGADMP CC[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000685579708 550430231 /nfs/dbraw/zinc/43/02/31/550430231.db2.gz NOLOFHUHEQXTTG-SFHVURJKSA-N 2 1 345.531 3.322 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000729284789 574835308 /nfs/dbraw/zinc/83/53/08/574835308.db2.gz MKHRDNSPTAUEPK-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC1(C)CCc2cc(C[NH2+]CCCC[N@H+]3CCC[C@@H]3CO)ccc2O1 ZINC000732229654 575247130 /nfs/dbraw/zinc/24/71/30/575247130.db2.gz TWRLPOUJFCQOFO-LJQANCHMSA-N 2 1 346.515 3.117 20 0 EGADMP Fc1cccc(COc2ccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC000678342986 576167305 /nfs/dbraw/zinc/16/73/05/576167305.db2.gz JSMXCVRSXKZMJY-ROUUACIJSA-N 2 1 326.415 3.056 20 0 EGADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000738523047 576334369 /nfs/dbraw/zinc/33/43/69/576334369.db2.gz OXMCYKFIDGYERK-FQEVSTJZSA-N 2 1 339.483 3.010 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)N3CCCC3)cc2)C[C@@H]1C ZINC000740886097 576633640 /nfs/dbraw/zinc/63/36/40/576633640.db2.gz GGWTZYCTRPGNFX-FXAWDEMLSA-N 2 1 343.515 3.227 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)N3CCCC3)cc2)C[C@@H]1C ZINC000740886097 576633643 /nfs/dbraw/zinc/63/36/43/576633643.db2.gz GGWTZYCTRPGNFX-FXAWDEMLSA-N 2 1 343.515 3.227 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)N3CCCC3)cc2)C[C@@H]1C ZINC000740886097 576633645 /nfs/dbraw/zinc/63/36/45/576633645.db2.gz GGWTZYCTRPGNFX-FXAWDEMLSA-N 2 1 343.515 3.227 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)N3CCCC3)cc2)C[C@@H]1C ZINC000740886097 576633647 /nfs/dbraw/zinc/63/36/47/576633647.db2.gz GGWTZYCTRPGNFX-FXAWDEMLSA-N 2 1 343.515 3.227 20 0 EGADMP Cc1ccc(N2CC[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C2=O)cc1 ZINC000742706991 576793744 /nfs/dbraw/zinc/79/37/44/576793744.db2.gz SFIFJOGLQMUMPS-MSOLQXFVSA-N 2 1 331.504 3.056 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000693032612 1298149049 /nfs/dbraw/zinc/14/90/49/1298149049.db2.gz VQQHRCYBRGVJTO-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000693733562 1298150489 /nfs/dbraw/zinc/15/04/89/1298150489.db2.gz AKYSXEMJIJOQDU-LELZANKISA-N 2 1 341.543 3.406 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000895299304 1309275882 /nfs/dbraw/zinc/27/58/82/1309275882.db2.gz IWMXSVFUUHGMRZ-LBPRGKRZSA-N 2 1 336.430 3.197 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cccc(C)c2)CC1 ZINC000061070330 1291959722 /nfs/dbraw/zinc/95/97/22/1291959722.db2.gz GKTCRGSRIGLLCA-UHFFFAOYSA-N 2 1 337.511 3.422 20 0 EGADMP Cc1nc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cs1 ZINC000069785096 1292252348 /nfs/dbraw/zinc/25/23/48/1292252348.db2.gz TZVNBZBXDLNXQN-UHFFFAOYSA-N 2 1 331.485 3.216 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000071895951 1292270556 /nfs/dbraw/zinc/27/05/56/1292270556.db2.gz OUXYXSRZQNJKBL-UHFFFAOYSA-N 2 1 327.472 3.338 20 0 EGADMP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3cccc4[nH]ccc43)c2)CC1 ZINC000076399961 1292427826 /nfs/dbraw/zinc/42/78/26/1292427826.db2.gz BFLFIOIXHGDUTJ-UHFFFAOYSA-N 2 1 348.494 3.205 20 0 EGADMP Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1C ZINC000076400293 1292428243 /nfs/dbraw/zinc/42/82/43/1292428243.db2.gz HBJIARQXYKMDEO-UHFFFAOYSA-N 2 1 337.511 3.341 20 0 EGADMP CC(C)Oc1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000076762530 1292440930 /nfs/dbraw/zinc/44/09/30/1292440930.db2.gz LZJNTWPVPGOQOL-QGZVFWFLSA-N 2 1 332.488 3.064 20 0 EGADMP Cc1ncc(C[NH2+]C2CC[NH+](CC(C)C)CC2)n1-c1ccccc1 ZINC000084014110 1292695888 /nfs/dbraw/zinc/69/58/88/1292695888.db2.gz NHXOJWSJTZADOR-UHFFFAOYSA-N 2 1 326.488 3.391 20 0 EGADMP CCOC(=O)N1CCC([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000089158001 1292758939 /nfs/dbraw/zinc/75/89/39/1292758939.db2.gz TXMRFPOMJYKCKO-QGZVFWFLSA-N 2 1 347.503 3.108 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cn1cc(Cl)cn1 ZINC000092295763 1292860731 /nfs/dbraw/zinc/86/07/31/1292860731.db2.gz XRVOSHUGPBJPDF-UHFFFAOYSA-N 2 1 333.867 3.128 20 0 EGADMP COc1cc2c(c(C[NH2+]C[C@@H]3CCC[N@@H+](C(C)C)C3)c1)O[C@H](C)C2 ZINC000105456114 1293036803 /nfs/dbraw/zinc/03/68/03/1293036803.db2.gz SMVIOEZWKLCBNX-CVEARBPZSA-N 2 1 332.488 3.229 20 0 EGADMP COc1cc2c(c(C[NH2+]C[C@@H]3CCC[N@H+](C(C)C)C3)c1)O[C@H](C)C2 ZINC000105456114 1293036807 /nfs/dbraw/zinc/03/68/07/1293036807.db2.gz SMVIOEZWKLCBNX-CVEARBPZSA-N 2 1 332.488 3.229 20 0 EGADMP COc1ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c(OC)c1OC ZINC000116378904 1293204226 /nfs/dbraw/zinc/20/42/26/1293204226.db2.gz BWOGJPBHISHVMJ-MRXNPFEDSA-N 2 1 338.492 3.168 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000120788476 1293338901 /nfs/dbraw/zinc/33/89/01/1293338901.db2.gz CRRFHIPHPXPULB-QGZVFWFLSA-N 2 1 332.488 3.306 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000120788476 1293338911 /nfs/dbraw/zinc/33/89/11/1293338911.db2.gz CRRFHIPHPXPULB-QGZVFWFLSA-N 2 1 332.488 3.306 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](CNCc2ccc(-n3ccnc3)cc2)C1 ZINC000120851253 1293343177 /nfs/dbraw/zinc/34/31/77/1293343177.db2.gz GLKCJEUFZCVTNN-IBGZPJMESA-N 3 1 326.488 3.330 20 0 EGADMP CCCCOC(=O)CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121628559 1293381489 /nfs/dbraw/zinc/38/14/89/1293381489.db2.gz YXHVMEWGDNYVBO-UHFFFAOYSA-N 2 1 332.488 3.316 20 0 EGADMP CCCCOC(=O)CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121628559 1293381498 /nfs/dbraw/zinc/38/14/98/1293381498.db2.gz YXHVMEWGDNYVBO-UHFFFAOYSA-N 2 1 332.488 3.316 20 0 EGADMP CCOc1c(CNC[C@@H]2CCC[N@@H+](CC)C2)c(C)nn1CC(C)C ZINC000125445760 1293507945 /nfs/dbraw/zinc/50/79/45/1293507945.db2.gz IQPUGRGZXBCWQE-KRWDZBQOSA-N 2 1 336.524 3.068 20 0 EGADMP CC(C)C[NH+]1CCC(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000151468904 1293926105 /nfs/dbraw/zinc/92/61/05/1293926105.db2.gz ZIXNVQKSGFGXRA-RXVVDRJESA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000151468904 1293926113 /nfs/dbraw/zinc/92/61/13/1293926113.db2.gz ZIXNVQKSGFGXRA-RXVVDRJESA-N 2 1 329.532 3.217 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnc3cnccn23)cc1 ZINC000156610428 1294150862 /nfs/dbraw/zinc/15/08/62/1294150862.db2.gz DKARZLKGFHAGAL-KRWDZBQOSA-N 2 1 349.482 3.394 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2c(O)ccc(Cl)c2F)C[C@H](C)O1 ZINC000190893392 1295625871 /nfs/dbraw/zinc/62/58/71/1295625871.db2.gz BGEBTIKXOAUDHB-BETUJISGSA-N 2 1 344.858 3.164 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2c(O)ccc(Cl)c2F)C[C@H](C)O1 ZINC000190893392 1295625881 /nfs/dbraw/zinc/62/58/81/1295625881.db2.gz BGEBTIKXOAUDHB-BETUJISGSA-N 2 1 344.858 3.164 20 0 EGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(OC(C)=O)cc1 ZINC000191484268 1295685525 /nfs/dbraw/zinc/68/55/25/1295685525.db2.gz UCRKCQKJOLFCMW-UHFFFAOYSA-N 2 1 329.444 3.283 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OC(C)=O)cc1 ZINC000191484268 1295685543 /nfs/dbraw/zinc/68/55/43/1295685543.db2.gz UCRKCQKJOLFCMW-UHFFFAOYSA-N 2 1 329.444 3.283 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OC(C)=O)cc1 ZINC000191484268 1295685572 /nfs/dbraw/zinc/68/55/72/1295685572.db2.gz UCRKCQKJOLFCMW-UHFFFAOYSA-N 2 1 329.444 3.283 20 0 EGADMP c1cc(COc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)ccn1 ZINC000236683144 1296195307 /nfs/dbraw/zinc/19/53/07/1296195307.db2.gz RAVOKBSNRLJOJH-SFTDATJTSA-N 2 1 337.467 3.377 20 0 EGADMP c1cc(COc2ccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)cc2)ccn1 ZINC000236683144 1296195311 /nfs/dbraw/zinc/19/53/11/1296195311.db2.gz RAVOKBSNRLJOJH-SFTDATJTSA-N 2 1 337.467 3.377 20 0 EGADMP CCc1nc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cs1 ZINC000237054048 1296218095 /nfs/dbraw/zinc/21/80/95/1296218095.db2.gz CUXDGMPQPHEULE-UHFFFAOYSA-N 2 1 345.512 3.470 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000247956952 1296403208 /nfs/dbraw/zinc/40/32/08/1296403208.db2.gz DEAZWGCAEDOFJF-WOJBJXKFSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000248145592 1296406592 /nfs/dbraw/zinc/40/65/92/1296406592.db2.gz DXHMJNVCKPCCRE-VQTJNVASSA-N 2 1 343.515 3.204 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000248180448 1296408017 /nfs/dbraw/zinc/40/80/17/1296408017.db2.gz YIHJFEVUAWZXHR-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000248180448 1296408020 /nfs/dbraw/zinc/40/80/20/1296408020.db2.gz YIHJFEVUAWZXHR-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000248180448 1296408026 /nfs/dbraw/zinc/40/80/26/1296408026.db2.gz YIHJFEVUAWZXHR-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H]2c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)cc1 ZINC000871795256 1296538325 /nfs/dbraw/zinc/53/83/25/1296538325.db2.gz MCAKWPNMGRKFAK-FBVQUNGASA-N 2 1 338.455 3.405 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H]2c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)cc1 ZINC000871795256 1296538340 /nfs/dbraw/zinc/53/83/40/1296538340.db2.gz MCAKWPNMGRKFAK-FBVQUNGASA-N 2 1 338.455 3.405 20 0 EGADMP COc1sc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1Br ZINC000262149876 1296620064 /nfs/dbraw/zinc/62/00/64/1296620064.db2.gz ZUFLPLMQQLQFQN-UHFFFAOYSA-N 2 1 345.306 3.095 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH2+]CCn1cc[nH+]c1C)CCCC2 ZINC000872030313 1296678908 /nfs/dbraw/zinc/67/89/08/1296678908.db2.gz CPMXZLZBFDTJMV-QGZVFWFLSA-N 2 1 329.444 3.266 20 0 EGADMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000264071721 1296692461 /nfs/dbraw/zinc/69/24/61/1296692461.db2.gz DKPIWCHGVMKCGM-NEPJUHHUSA-N 2 1 343.302 3.301 20 0 EGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(C(F)(F)F)co3)CC2)C1 ZINC000872145834 1296766125 /nfs/dbraw/zinc/76/61/25/1296766125.db2.gz WRCLAOYLUAPLBB-DZGCQCFKSA-N 2 1 332.366 3.017 20 0 EGADMP CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)nn1 ZINC000872158039 1296774971 /nfs/dbraw/zinc/77/49/71/1296774971.db2.gz SBOSKNYOEZGEQF-MAUKXSAKSA-N 2 1 333.524 3.153 20 0 EGADMP CC(C)(C)n1cc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)nn1 ZINC000872158039 1296774985 /nfs/dbraw/zinc/77/49/85/1296774985.db2.gz SBOSKNYOEZGEQF-MAUKXSAKSA-N 2 1 333.524 3.153 20 0 EGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](CC(=O)N2CCCCCC2)C1)C1CCCC1 ZINC000872156598 1296776298 /nfs/dbraw/zinc/77/62/98/1296776298.db2.gz ACOUJQNKHBYYDX-MJGOQNOKSA-N 2 1 335.536 3.009 20 0 EGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2cc(CO)ccc2F)C1)C1CCCC1 ZINC000872158018 1296777165 /nfs/dbraw/zinc/77/71/65/1296777165.db2.gz RURULJOEWPVHGL-MGPUTAFESA-N 2 1 334.479 3.438 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872280490 1296887313 /nfs/dbraw/zinc/88/73/13/1296887313.db2.gz MSRKBUBVAAJWMQ-MKXGPGLRSA-N 2 1 335.536 3.007 20 0 EGADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000305197362 1296994502 /nfs/dbraw/zinc/99/45/02/1296994502.db2.gz ZNLMCIMYTDQPJN-CABCVRRESA-N 2 1 328.909 3.259 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000310045093 1297082694 /nfs/dbraw/zinc/08/26/94/1297082694.db2.gz BEEZBFIFHNGUPV-IXDOHACOSA-N 2 1 341.540 3.484 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000310045093 1297082707 /nfs/dbraw/zinc/08/27/07/1297082707.db2.gz BEEZBFIFHNGUPV-IXDOHACOSA-N 2 1 341.540 3.484 20 0 EGADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000310944442 1297104290 /nfs/dbraw/zinc/10/42/90/1297104290.db2.gz XDKWGGNIZBRWQG-RXVVDRJESA-N 2 1 342.458 3.361 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000320688041 1297169000 /nfs/dbraw/zinc/16/90/00/1297169000.db2.gz DGMUTEFJBQVSOH-CZUORRHYSA-N 2 1 330.394 3.059 20 0 EGADMP CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000321847183 1297182258 /nfs/dbraw/zinc/18/22/58/1297182258.db2.gz BIYKDTKSRAATLT-QBPKDAKJSA-N 2 1 337.508 3.039 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1c(Br)c2ccccc2n1C ZINC000873030078 1297233229 /nfs/dbraw/zinc/23/32/29/1297233229.db2.gz ARIVHXZUTAROSO-UHFFFAOYSA-N 2 1 347.260 3.236 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C)C[C@H]1n1cncn1 ZINC000340235125 1297309851 /nfs/dbraw/zinc/30/98/51/1297309851.db2.gz KIAAEQCWGNSLGZ-WJFTUGDTSA-N 2 1 333.524 3.252 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C)C[C@H]1n1cncn1 ZINC000340235125 1297309861 /nfs/dbraw/zinc/30/98/61/1297309861.db2.gz KIAAEQCWGNSLGZ-WJFTUGDTSA-N 2 1 333.524 3.252 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)[C@@H](n2cncn2)C1 ZINC000340186429 1297310789 /nfs/dbraw/zinc/31/07/89/1297310789.db2.gz QYRAOQKIHLTFJF-YRXWBPOGSA-N 2 1 333.524 3.252 20 0 EGADMP C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873204321 1297351078 /nfs/dbraw/zinc/35/10/78/1297351078.db2.gz CVCZREPBZSEWSF-RDTXWAMCSA-N 2 1 328.481 3.356 20 0 EGADMP C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873204321 1297351088 /nfs/dbraw/zinc/35/10/88/1297351088.db2.gz CVCZREPBZSEWSF-RDTXWAMCSA-N 2 1 328.481 3.356 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260207 1297395438 /nfs/dbraw/zinc/39/54/38/1297395438.db2.gz VOCIMNQUFLFTNR-QNDFHXLGSA-N 3 1 327.516 3.017 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260207 1297395451 /nfs/dbraw/zinc/39/54/51/1297395451.db2.gz VOCIMNQUFLFTNR-QNDFHXLGSA-N 2 1 327.516 3.017 20 0 EGADMP Nc1c(F)cccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000381150494 1297550747 /nfs/dbraw/zinc/55/07/47/1297550747.db2.gz AFWGTXDZLYJYGW-PKOBYXMFSA-N 2 1 339.458 3.362 20 0 EGADMP Nc1c(F)cccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000381150494 1297550764 /nfs/dbraw/zinc/55/07/64/1297550764.db2.gz AFWGTXDZLYJYGW-PKOBYXMFSA-N 2 1 339.458 3.362 20 0 EGADMP Nc1c(F)cccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000381150494 1297550773 /nfs/dbraw/zinc/55/07/73/1297550773.db2.gz AFWGTXDZLYJYGW-PKOBYXMFSA-N 2 1 339.458 3.362 20 0 EGADMP Nc1c(F)cccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000381150494 1297550785 /nfs/dbraw/zinc/55/07/85/1297550785.db2.gz AFWGTXDZLYJYGW-PKOBYXMFSA-N 2 1 339.458 3.362 20 0 EGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCCCC1 ZINC000382310810 1297556908 /nfs/dbraw/zinc/55/69/08/1297556908.db2.gz NUYQTVXCMBNRJN-MRXNPFEDSA-N 2 1 339.524 3.240 20 0 EGADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000386303243 1297589108 /nfs/dbraw/zinc/58/91/08/1297589108.db2.gz FZHNEBMTRUHXSC-NQIIRXRSSA-N 2 1 342.458 3.361 20 0 EGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CCCC1 ZINC000393894355 1297673656 /nfs/dbraw/zinc/67/36/56/1297673656.db2.gz CQVJXSSMAPXRRX-MRXNPFEDSA-N 2 1 339.524 3.240 20 0 EGADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCCCC[NH3+] ZINC000404381516 1297750841 /nfs/dbraw/zinc/75/08/41/1297750841.db2.gz LHUMLKJTRFHAFP-GBESFXJTSA-N 2 1 345.531 3.406 20 0 EGADMP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C1([NH3+])CCCCC1 ZINC000404386432 1297752085 /nfs/dbraw/zinc/75/20/85/1297752085.db2.gz NCXGIJZPEJGJAL-OKZBNKHCSA-N 2 1 343.515 3.158 20 0 EGADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C1([NH3+])CCCCC1 ZINC000404386432 1297752094 /nfs/dbraw/zinc/75/20/94/1297752094.db2.gz NCXGIJZPEJGJAL-OKZBNKHCSA-N 2 1 343.515 3.158 20 0 EGADMP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000493992934 1297949512 /nfs/dbraw/zinc/94/95/12/1297949512.db2.gz REGPLNTZOIZQHM-ZWKOTPCHSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000687673264 1298120345 /nfs/dbraw/zinc/12/03/45/1298120345.db2.gz SBRDPTRUIIDMON-QBPKDAKJSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000687673264 1298120347 /nfs/dbraw/zinc/12/03/47/1298120347.db2.gz SBRDPTRUIIDMON-QBPKDAKJSA-N 2 1 339.524 3.142 20 0 EGADMP COc1cncc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000700058221 1298174148 /nfs/dbraw/zinc/17/41/48/1298174148.db2.gz IRFLSZSPVJZIKA-GOSISDBHSA-N 2 1 325.456 3.092 20 0 EGADMP COc1cncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000700058221 1298174160 /nfs/dbraw/zinc/17/41/60/1298174160.db2.gz IRFLSZSPVJZIKA-GOSISDBHSA-N 2 1 325.456 3.092 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)C[NH2+]1 ZINC000700077463 1298174989 /nfs/dbraw/zinc/17/49/89/1298174989.db2.gz AZLQXUABIDJPHA-OWCLPIDISA-N 2 1 339.524 3.142 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000700800730 1298179690 /nfs/dbraw/zinc/17/96/90/1298179690.db2.gz VGFPYXOZRSWVTM-IKGGRYGDSA-N 2 1 339.524 3.144 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000715036114 1298277064 /nfs/dbraw/zinc/27/70/64/1298277064.db2.gz CHJHWMVDBRTJJH-RTWAWAEBSA-N 3 1 329.532 3.492 20 0 EGADMP [NH3+]CCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715036114 1298277073 /nfs/dbraw/zinc/27/70/73/1298277073.db2.gz CHJHWMVDBRTJJH-RTWAWAEBSA-N 3 1 329.532 3.492 20 0 EGADMP [NH3+]CCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715036114 1298277079 /nfs/dbraw/zinc/27/70/79/1298277079.db2.gz CHJHWMVDBRTJJH-RTWAWAEBSA-N 3 1 329.532 3.492 20 0 EGADMP [NH3+]CCCCCCN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715036114 1298277087 /nfs/dbraw/zinc/27/70/87/1298277087.db2.gz CHJHWMVDBRTJJH-RTWAWAEBSA-N 2 1 329.532 3.492 20 0 EGADMP [NH3+]CCCCCCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715036114 1298277094 /nfs/dbraw/zinc/27/70/94/1298277094.db2.gz CHJHWMVDBRTJJH-RTWAWAEBSA-N 2 1 329.532 3.492 20 0 EGADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)CC[NH2+]C(C)(C)C ZINC000719878205 1298323030 /nfs/dbraw/zinc/32/30/30/1298323030.db2.gz RGNNNNHDVAHDES-LJQANCHMSA-N 2 1 345.531 3.278 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000876810773 1299005934 /nfs/dbraw/zinc/00/59/34/1299005934.db2.gz DLTPFSIZWGFSOA-QKNQBKEWSA-N 2 1 346.515 3.467 20 0 EGADMP CO[C@@H](CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C1CC1 ZINC000876865567 1299040064 /nfs/dbraw/zinc/04/00/64/1299040064.db2.gz CKTGNLJQMJMSRK-FQEVSTJZSA-N 2 1 331.504 3.302 20 0 EGADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000876949227 1299082653 /nfs/dbraw/zinc/08/26/53/1299082653.db2.gz OZYAFRXECDELDQ-HLAWJBBLSA-N 2 1 327.516 3.284 20 0 EGADMP CC(C)O[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000877031358 1299121952 /nfs/dbraw/zinc/12/19/52/1299121952.db2.gz QEISOMZJOXKXFJ-SFTDATJTSA-N 2 1 346.515 3.386 20 0 EGADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000877136584 1299175886 /nfs/dbraw/zinc/17/58/86/1299175886.db2.gz IHTHZIHOOVQWCB-ZCNNSNEGSA-N 2 1 335.451 3.104 20 0 EGADMP ClC1(Cl)C[C@@H]1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000877476866 1299327789 /nfs/dbraw/zinc/32/77/89/1299327789.db2.gz PPOYGYVDFFIABL-HZPDHXFCSA-N 2 1 343.298 3.061 20 0 EGADMP ClC1(Cl)C[C@@H]1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000877476866 1299327790 /nfs/dbraw/zinc/32/77/90/1299327790.db2.gz PPOYGYVDFFIABL-HZPDHXFCSA-N 2 1 343.298 3.061 20 0 EGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000877523137 1299366801 /nfs/dbraw/zinc/36/68/01/1299366801.db2.gz INPVTSVEKBKBAX-OVYGPGRDSA-N 2 1 339.524 3.093 20 0 EGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000877523137 1299366811 /nfs/dbraw/zinc/36/68/11/1299366811.db2.gz INPVTSVEKBKBAX-OVYGPGRDSA-N 2 1 339.524 3.093 20 0 EGADMP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000878287585 1299894367 /nfs/dbraw/zinc/89/43/67/1299894367.db2.gz GYEIVXIFFHSXJG-IBGZPJMESA-N 2 1 342.487 3.263 20 0 EGADMP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000878287585 1299894373 /nfs/dbraw/zinc/89/43/73/1299894373.db2.gz GYEIVXIFFHSXJG-IBGZPJMESA-N 2 1 342.487 3.263 20 0 EGADMP CC(C)=C(C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000755206774 1300299216 /nfs/dbraw/zinc/29/92/16/1300299216.db2.gz MTBIMSGDQNMNMA-RTBURBONSA-N 2 1 335.536 3.138 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3c4cccc5cccc(c45)C3=O)C2)CC1 ZINC000755781145 1300394590 /nfs/dbraw/zinc/39/45/90/1300394590.db2.gz TYRYHOKSXVVELD-GOSISDBHSA-N 2 1 349.478 3.421 20 0 EGADMP COc1cc2c(cc1OC)[C@H](C)[N@H+](CCCn1cc[nH+]c1C)CC2 ZINC000880089494 1300921760 /nfs/dbraw/zinc/92/17/60/1300921760.db2.gz DWCPYYNICZJRPP-AWEZNQCLSA-N 2 1 329.444 3.218 20 0 EGADMP COc1cc2c(cc1OC)[C@H](C)[N@@H+](CCCn1cc[nH+]c1C)CC2 ZINC000880089494 1300921762 /nfs/dbraw/zinc/92/17/62/1300921762.db2.gz DWCPYYNICZJRPP-AWEZNQCLSA-N 2 1 329.444 3.218 20 0 EGADMP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000760830151 1301346131 /nfs/dbraw/zinc/34/61/31/1301346131.db2.gz FTJRHMSLIPHZDX-DLBZAZTESA-N 2 1 339.524 3.192 20 0 EGADMP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000760830151 1301346141 /nfs/dbraw/zinc/34/61/41/1301346141.db2.gz FTJRHMSLIPHZDX-DLBZAZTESA-N 2 1 339.524 3.192 20 0 EGADMP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000760830151 1301346151 /nfs/dbraw/zinc/34/61/51/1301346151.db2.gz FTJRHMSLIPHZDX-DLBZAZTESA-N 2 1 339.524 3.192 20 0 EGADMP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000760830151 1301346160 /nfs/dbraw/zinc/34/61/60/1301346160.db2.gz FTJRHMSLIPHZDX-DLBZAZTESA-N 2 1 339.524 3.192 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@H](O)c2ccccc2)[C@H](C)C1 ZINC000763409886 1301897715 /nfs/dbraw/zinc/89/77/15/1301897715.db2.gz KHOGPIHNOWTOAE-QCFAMHMHSA-N 2 1 348.531 3.225 20 0 EGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765973094 1302359411 /nfs/dbraw/zinc/35/94/11/1302359411.db2.gz CCKZZIHUCYDTRE-QUCCMNQESA-N 2 1 344.499 3.442 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc2c(c1)CCO2 ZINC000765974408 1302360491 /nfs/dbraw/zinc/36/04/91/1302360491.db2.gz HAIYXAFTUQZKBI-UXHICEINSA-N 2 1 344.499 3.306 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC3(CCOCC3)Oc3ccccc32)CC[N@@H+]1C ZINC000883383755 1302424967 /nfs/dbraw/zinc/42/49/67/1302424967.db2.gz FVMDPAXTLLYBCP-NUJGCVRESA-N 2 1 330.472 3.132 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC3(CCOCC3)Oc3ccccc32)CC[N@H+]1C ZINC000883383755 1302424972 /nfs/dbraw/zinc/42/49/72/1302424972.db2.gz FVMDPAXTLLYBCP-NUJGCVRESA-N 2 1 330.472 3.132 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCNc2ncccn2)cc1 ZINC000766515514 1302466261 /nfs/dbraw/zinc/46/62/61/1302466261.db2.gz BTEMOYKDHJEIPT-OAHLLOKOSA-N 2 1 336.443 3.124 20 0 EGADMP C[C@]1(O)CCC[NH+](CCCCCCCC[N@@H+]2CCC[C@](C)(O)C2)C1 ZINC000767024829 1302565945 /nfs/dbraw/zinc/56/59/45/1302565945.db2.gz AUIRDCKIZVWECU-PMACEKPBSA-N 2 1 340.552 3.021 20 0 EGADMP Cc1cc(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c(C)o1 ZINC000767364289 1302652301 /nfs/dbraw/zinc/65/23/01/1302652301.db2.gz ZHBOFXGLYYZJMP-NRFANRHFSA-N 2 1 341.499 3.365 20 0 EGADMP CC(C)[C@@H](CC[N@@H+](C)CC[C@@H]1CCC[NH+]1C)NC(=O)OC(C)(C)C ZINC000767413288 1302665878 /nfs/dbraw/zinc/66/58/78/1302665878.db2.gz ASIFTDUIYQPGNR-DLBZAZTESA-N 2 1 341.540 3.342 20 0 EGADMP CC(C)[C@@H](CC[NH+](C)CC[C@@H]1CCC[N@@H+]1C)NC(=O)OC(C)(C)C ZINC000767413288 1302665894 /nfs/dbraw/zinc/66/58/94/1302665894.db2.gz ASIFTDUIYQPGNR-DLBZAZTESA-N 2 1 341.540 3.342 20 0 EGADMP CC(C)[C@@H](CC[NH+](C)CC[C@@H]1CCC[N@H+]1C)NC(=O)OC(C)(C)C ZINC000767413288 1302665908 /nfs/dbraw/zinc/66/59/08/1302665908.db2.gz ASIFTDUIYQPGNR-DLBZAZTESA-N 2 1 341.540 3.342 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769516952 1303132780 /nfs/dbraw/zinc/13/27/80/1303132780.db2.gz WKVJBZLNGWEOTE-OAHLLOKOSA-N 2 1 332.517 3.390 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769516952 1303132787 /nfs/dbraw/zinc/13/27/87/1303132787.db2.gz WKVJBZLNGWEOTE-OAHLLOKOSA-N 2 1 332.517 3.390 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769516952 1303132792 /nfs/dbraw/zinc/13/27/92/1303132792.db2.gz WKVJBZLNGWEOTE-OAHLLOKOSA-N 2 1 332.517 3.390 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769516952 1303132798 /nfs/dbraw/zinc/13/27/98/1303132798.db2.gz WKVJBZLNGWEOTE-OAHLLOKOSA-N 2 1 332.517 3.390 20 0 EGADMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)CC(C)C ZINC000885921316 1303276956 /nfs/dbraw/zinc/27/69/56/1303276956.db2.gz YXQOLNXRBZMRRZ-ROUUACIJSA-N 2 1 326.525 3.061 20 0 EGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000885978268 1303305946 /nfs/dbraw/zinc/30/59/46/1303305946.db2.gz URHLUYZETVZKBI-ZWKOTPCHSA-N 2 1 338.536 3.205 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000885978268 1303305952 /nfs/dbraw/zinc/30/59/52/1303305952.db2.gz URHLUYZETVZKBI-ZWKOTPCHSA-N 2 1 338.536 3.205 20 0 EGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCOC3(CCOCC3)C2)C1 ZINC000885978265 1303306030 /nfs/dbraw/zinc/30/60/30/1303306030.db2.gz URHLUYZETVZKBI-MSOLQXFVSA-N 2 1 338.536 3.205 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCOC3(CCOCC3)C2)C1 ZINC000885978265 1303306037 /nfs/dbraw/zinc/30/60/37/1303306037.db2.gz URHLUYZETVZKBI-MSOLQXFVSA-N 2 1 338.536 3.205 20 0 EGADMP CC[N@H+](CCC1CC[NH+](Cn2cccnc2=S)CC1)CC1CC1 ZINC000770685940 1303306304 /nfs/dbraw/zinc/30/63/04/1303306304.db2.gz MTEMQLUBBOGXSS-UHFFFAOYSA-N 2 1 334.533 3.404 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cn2cccnc2=S)CC1)CC1CC1 ZINC000770685940 1303306312 /nfs/dbraw/zinc/30/63/12/1303306312.db2.gz MTEMQLUBBOGXSS-UHFFFAOYSA-N 2 1 334.533 3.404 20 0 EGADMP CC[C@H]1CC(=O)N(C[NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)C1 ZINC000770688418 1303306476 /nfs/dbraw/zinc/30/64/76/1303306476.db2.gz YUQPXUDDCAHILN-KRWDZBQOSA-N 2 1 335.536 3.036 20 0 EGADMP C[C@@H]1CC[C@H](C[NH+](C)[C@@H]2CC[C@@H]([N@H+](C)C[C@H]3CC[C@H](C)O3)CC2)O1 ZINC000886389712 1303453985 /nfs/dbraw/zinc/45/39/85/1303453985.db2.gz VHVVLQMMCSNVTB-DNDRQTMDSA-N 2 1 338.536 3.296 20 0 EGADMP C[C@@H]1CC[C@H](C[N@@H+](C)[C@@H]2CC[C@@H]([NH+](C)C[C@H]3CC[C@H](C)O3)CC2)O1 ZINC000886389712 1303453987 /nfs/dbraw/zinc/45/39/87/1303453987.db2.gz VHVVLQMMCSNVTB-DNDRQTMDSA-N 2 1 338.536 3.296 20 0 EGADMP C[C@@H]1CC[C@H](C[N@H+](C)[C@@H]2CC[C@@H]([NH+](C)C[C@H]3CC[C@H](C)O3)CC2)O1 ZINC000886389712 1303453992 /nfs/dbraw/zinc/45/39/92/1303453992.db2.gz VHVVLQMMCSNVTB-DNDRQTMDSA-N 2 1 338.536 3.296 20 0 EGADMP O[C@@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000772217217 1303505133 /nfs/dbraw/zinc/50/51/33/1303505133.db2.gz JBFZYZFZVJUQSA-MNEFBYGVSA-N 2 1 334.891 3.322 20 0 EGADMP O[C@@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000772217217 1303505138 /nfs/dbraw/zinc/50/51/38/1303505138.db2.gz JBFZYZFZVJUQSA-MNEFBYGVSA-N 2 1 334.891 3.322 20 0 EGADMP O[C@@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000772217217 1303505141 /nfs/dbraw/zinc/50/51/41/1303505141.db2.gz JBFZYZFZVJUQSA-MNEFBYGVSA-N 2 1 334.891 3.322 20 0 EGADMP CCc1oc(C(=O)OC)cc1C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886664095 1303544998 /nfs/dbraw/zinc/54/49/98/1303544998.db2.gz BKPBFMYPIRYMMH-UHFFFAOYSA-N 2 1 345.443 3.348 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@@H](C(=O)N(C)C)c3ccccc3)CC2)[nH+]c1C ZINC000886670508 1303550304 /nfs/dbraw/zinc/55/03/04/1303550304.db2.gz QOLVNNNOGRFOIJ-GOSISDBHSA-N 2 1 340.471 3.035 20 0 EGADMP Clc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1Cl ZINC000886707724 1303572481 /nfs/dbraw/zinc/57/24/81/1303572481.db2.gz POVUCHAGGUPCMW-OAHLLOKOSA-N 2 1 343.298 3.379 20 0 EGADMP CCC1([NH+]2CCC2)CC[NH+](CCc2nc3ccccc3n2C)CC1 ZINC000886714163 1303575023 /nfs/dbraw/zinc/57/50/23/1303575023.db2.gz CWDYYOJYDGUWRW-UHFFFAOYSA-N 2 1 326.488 3.066 20 0 EGADMP C[C@H]1C[C@@H](NCC(=O)Nc2cc(Cl)ccc2Cl)CC[N@H+]1C ZINC000772951953 1303597593 /nfs/dbraw/zinc/59/75/93/1303597593.db2.gz PUHUSYKKPYZJEB-JQWIXIFHSA-N 2 1 330.259 3.004 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CN2C[C@H](C3CC3)CC2=O)CC1)CC(C)C ZINC000773270504 1303652229 /nfs/dbraw/zinc/65/22/29/1303652229.db2.gz GWHVUJHVTGBZPH-HXUWFJFHSA-N 2 1 349.563 3.282 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000774160711 1303781723 /nfs/dbraw/zinc/78/17/23/1303781723.db2.gz ZRINQQAHYSGLMV-FRTACKCFSA-N 2 1 336.483 3.193 20 0 EGADMP CO[C@H](C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000775536080 1303981185 /nfs/dbraw/zinc/98/11/85/1303981185.db2.gz IYUIKDCGXBCQET-VNQPRFMTSA-N 2 1 330.394 3.064 20 0 EGADMP CO[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000775536080 1303981190 /nfs/dbraw/zinc/98/11/90/1303981190.db2.gz IYUIKDCGXBCQET-VNQPRFMTSA-N 2 1 330.394 3.064 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(N(C)C)c1 ZINC000775687149 1304015451 /nfs/dbraw/zinc/01/54/51/1304015451.db2.gz OJKBYADOCNDLNA-FXAWDEMLSA-N 2 1 338.499 3.148 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000777566639 1304320000 /nfs/dbraw/zinc/32/00/00/1304320000.db2.gz MRRRDEITVRVTBS-QZTJIDSGSA-N 2 1 333.495 3.147 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@](C)(O)c2ccccc2)[C@H](C)C1 ZINC000779085217 1304528032 /nfs/dbraw/zinc/52/80/32/1304528032.db2.gz KUYVKSOJDVEEHA-HLAWJBBLSA-N 2 1 348.531 3.011 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000781640497 1304852926 /nfs/dbraw/zinc/85/29/26/1304852926.db2.gz HSOSSRYZMMGTAS-OAQYLSRUSA-N 2 1 347.462 3.091 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000783515831 1305102181 /nfs/dbraw/zinc/10/21/81/1305102181.db2.gz CCDPNVUNAYBXGV-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)C1CC1 ZINC000788242240 1305904800 /nfs/dbraw/zinc/90/48/00/1305904800.db2.gz BBJASKLYYOMSGM-GVDBMIGSSA-N 2 1 339.524 3.142 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1nc(Br)ccc1F ZINC000788814998 1306021870 /nfs/dbraw/zinc/02/18/70/1306021870.db2.gz BRLSLZGWCHRJRS-JTQLQIEISA-N 2 1 341.228 3.229 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnc(CC(F)(F)F)s3)C2)CC1 ZINC000894480294 1308914639 /nfs/dbraw/zinc/91/46/39/1308914639.db2.gz YLAAFNNWFPAVQD-ZDUSSCGKSA-N 2 1 347.450 3.412 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N2CCCCC2=O)cc1 ZINC000894557597 1308951926 /nfs/dbraw/zinc/95/19/26/1308951926.db2.gz GSYSSHFHEYKYGJ-SHFXZJCHSA-N 2 1 341.499 3.479 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]CC3CCC4(CC3)OCCO4)C2)cc1 ZINC000795980864 1309875228 /nfs/dbraw/zinc/87/52/28/1309875228.db2.gz ABJLDHXMKDLWDP-FQEVSTJZSA-N 2 1 344.499 3.031 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000796284583 1309953136 /nfs/dbraw/zinc/95/31/36/1309953136.db2.gz NGSRWZPXDUWMJS-GTPINHCMSA-N 2 1 341.540 3.390 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](O)c2ccco2)CC1 ZINC000798180425 1310311528 /nfs/dbraw/zinc/31/15/28/1310311528.db2.gz FYFQWAHRJAXTHL-CTWPCTMYSA-N 2 1 328.456 3.346 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798955765 1310463363 /nfs/dbraw/zinc/46/33/63/1310463363.db2.gz WIHYTHUFSNJUDL-HXUWFJFHSA-N 2 1 332.488 3.078 20 0 EGADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ncc(Cl)n2C)C[N@H+]1Cc1ccccc1 ZINC000799340156 1310528530 /nfs/dbraw/zinc/52/85/30/1310528530.db2.gz GUBBUJVXCHUDAV-DOTOQJQBSA-N 2 1 346.906 3.464 20 0 EGADMP CCCCn1nc(C)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1Cl ZINC000839180465 1320887098 /nfs/dbraw/zinc/88/70/98/1320887098.db2.gz DFFWHFQZNHLGGX-OAHLLOKOSA-N 2 1 326.916 3.467 20 0 EGADMP c1cc(C[N@H+]2CCCC[C@H]2C2OCCO2)ccc1C[NH+]1CCCCC1 ZINC000839479171 1320927620 /nfs/dbraw/zinc/92/76/20/1320927620.db2.gz CCDXHAXSCZCYJP-FQEVSTJZSA-N 2 1 344.499 3.400 20 0 EGADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NC(C)(C)C[NH+]3CCCC3)c2)C1 ZINC000857283967 1328526401 /nfs/dbraw/zinc/52/64/01/1328526401.db2.gz ZWAVWWVIDIQCDB-LJQANCHMSA-N 2 1 343.515 3.100 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCSC(C)(C)C)CC1 ZINC000801915278 1316964748 /nfs/dbraw/zinc/96/47/48/1316964748.db2.gz LWBABDIAASXPCV-CALCHBBNSA-N 2 1 327.582 3.009 20 0 EGADMP CC1(C)CC(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001018966886 1316987835 /nfs/dbraw/zinc/98/78/35/1316987835.db2.gz WMKRTEJGWHFJEL-PKOBYXMFSA-N 2 1 347.547 3.020 20 0 EGADMP CCC1([NH+]2CCC2)CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000899559287 1317089976 /nfs/dbraw/zinc/08/99/76/1317089976.db2.gz PRDMUCGGFPOWOR-LJQANCHMSA-N 2 1 347.547 3.260 20 0 EGADMP CCC1([NH+]2CCC2)CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000899560576 1317090895 /nfs/dbraw/zinc/09/08/95/1317090895.db2.gz RRCFLIJSKHVUGZ-SFHVURJKSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000900230218 1317255345 /nfs/dbraw/zinc/25/53/45/1317255345.db2.gz YWDIRQLEZIVYCN-PMACEKPBSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900230218 1317255351 /nfs/dbraw/zinc/25/53/51/1317255351.db2.gz YWDIRQLEZIVYCN-PMACEKPBSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900230218 1317255356 /nfs/dbraw/zinc/25/53/56/1317255356.db2.gz YWDIRQLEZIVYCN-PMACEKPBSA-N 2 1 343.515 3.160 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000929771181 1328696242 /nfs/dbraw/zinc/69/62/42/1328696242.db2.gz LRGRCAVXCUJGID-NYLDSWQDSA-N 2 1 346.515 3.167 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)CC[NH+](CC(C)C)CC3)CC[N@H+]1C ZINC000957552542 1317448811 /nfs/dbraw/zinc/44/88/11/1317448811.db2.gz SGFSUNSYZYGRAV-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)CC1 ZINC000957568895 1317467591 /nfs/dbraw/zinc/46/75/91/1317467591.db2.gz SDSXUFSNBCLANB-OALUTQOASA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)=CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC000957602809 1317492031 /nfs/dbraw/zinc/49/20/31/1317492031.db2.gz GDISBOYLKKHMAF-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001020028776 1317508309 /nfs/dbraw/zinc/50/83/09/1317508309.db2.gz JIPDDNVXYCAXOF-XSLAGTTESA-N 2 1 349.906 3.122 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001020144189 1317559726 /nfs/dbraw/zinc/55/97/26/1317559726.db2.gz TYVLJORJSXKZGK-SOAMZJECSA-N 2 1 343.515 3.166 20 0 EGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000902332222 1317564327 /nfs/dbraw/zinc/56/43/27/1317564327.db2.gz DEJQXOVXBVREKJ-HOCLYGCPSA-N 2 1 349.906 3.203 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000902335055 1317565788 /nfs/dbraw/zinc/56/57/88/1317565788.db2.gz ICGZFHXPHKTTQE-IAGOWNOFSA-N 3 1 335.561 3.328 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000902335055 1317565792 /nfs/dbraw/zinc/56/57/92/1317565792.db2.gz ICGZFHXPHKTTQE-IAGOWNOFSA-N 3 1 335.561 3.328 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H](NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000902335055 1317565794 /nfs/dbraw/zinc/56/57/94/1317565794.db2.gz ICGZFHXPHKTTQE-IAGOWNOFSA-N 2 1 335.561 3.328 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H](NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000902335055 1317565800 /nfs/dbraw/zinc/56/58/00/1317565800.db2.gz ICGZFHXPHKTTQE-IAGOWNOFSA-N 2 1 335.561 3.328 20 0 EGADMP C[C@]1(CN[C@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000902384677 1317571725 /nfs/dbraw/zinc/57/17/25/1317571725.db2.gz UNTKLSZPKFUZNX-PZJWPPBQSA-N 2 1 329.532 3.266 20 0 EGADMP C[C@]1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000902384677 1317571731 /nfs/dbraw/zinc/57/17/31/1317571731.db2.gz UNTKLSZPKFUZNX-PZJWPPBQSA-N 3 1 329.532 3.266 20 0 EGADMP C[C@]1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000902384677 1317571735 /nfs/dbraw/zinc/57/17/35/1317571735.db2.gz UNTKLSZPKFUZNX-PZJWPPBQSA-N 3 1 329.532 3.266 20 0 EGADMP C[C@@H]1C[C@@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000902437498 1317578441 /nfs/dbraw/zinc/57/84/41/1317578441.db2.gz JOKYXKCCEHPLPQ-DGEVVOEJSA-N 2 1 335.495 3.254 20 0 EGADMP CC[C@H](C(=O)N1CCC(C[N@@H+](CC)CC2CCCC2)CC1)[NH+](C)C ZINC000957726805 1317593043 /nfs/dbraw/zinc/59/30/43/1317593043.db2.gz ZHLSTVBWKJQHQA-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](OCC)C2)[C@H](C)C1 ZINC000902806756 1317618473 /nfs/dbraw/zinc/61/84/73/1317618473.db2.gz NTTCPVRFCABIDW-YRXWBPOGSA-N 2 1 326.525 3.061 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001020288605 1317628131 /nfs/dbraw/zinc/62/81/31/1317628131.db2.gz FFRUWUKKWQSPOZ-UAFMIMERSA-N 2 1 347.547 3.211 20 0 EGADMP COc1ccc(COCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903087924 1317650222 /nfs/dbraw/zinc/65/02/22/1317650222.db2.gz GYWUBRYHAKZGLN-CTXDPNEZSA-N 2 1 344.499 3.349 20 0 EGADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000903153662 1317664347 /nfs/dbraw/zinc/66/43/47/1317664347.db2.gz UPJHWRIEOFKITG-ZBUUHCTJSA-N 2 1 327.516 3.425 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H](c1ccccc1)N(C)C ZINC000903153662 1317664352 /nfs/dbraw/zinc/66/43/52/1317664352.db2.gz UPJHWRIEOFKITG-ZBUUHCTJSA-N 2 1 327.516 3.425 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H](c1ccccc1)N(C)C ZINC000903153662 1317664358 /nfs/dbraw/zinc/66/43/58/1317664358.db2.gz UPJHWRIEOFKITG-ZBUUHCTJSA-N 2 1 327.516 3.425 20 0 EGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000808691703 1317717324 /nfs/dbraw/zinc/71/73/24/1317717324.db2.gz MXRJZBKJSVTQSQ-QINHECLXSA-N 2 1 339.483 3.307 20 0 EGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000808691703 1317717328 /nfs/dbraw/zinc/71/73/28/1317717328.db2.gz MXRJZBKJSVTQSQ-QINHECLXSA-N 2 1 339.483 3.307 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cncc(-c3cc(F)ccc3OC)c2)C1 ZINC000903712985 1317725077 /nfs/dbraw/zinc/72/50/77/1317725077.db2.gz CSMBJJHKSKKSFZ-OAHLLOKOSA-N 2 1 343.446 3.328 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cncc(-c3cc(F)ccc3OC)c2)C1 ZINC000903712985 1317725082 /nfs/dbraw/zinc/72/50/82/1317725082.db2.gz CSMBJJHKSKKSFZ-OAHLLOKOSA-N 2 1 343.446 3.328 20 0 EGADMP c1ccc2sc([C@@H]3CCC[N@@H+]3C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)nc2c1 ZINC000903734487 1317727313 /nfs/dbraw/zinc/72/73/13/1317727313.db2.gz ZFSVGJBKGZHCTD-SIXWZSSISA-N 2 1 343.496 3.202 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3ccccc3)C2)C1 ZINC001020500033 1317731138 /nfs/dbraw/zinc/73/11/38/1317731138.db2.gz LTMDEBDBYJMMSJ-LEAZDLGRSA-N 2 1 343.515 3.106 20 0 EGADMP CN(CCC[N@H+](C)Cc1cc2ccccc2nc1Cl)CC[NH+](C)C ZINC000808781865 1317733056 /nfs/dbraw/zinc/73/30/56/1317733056.db2.gz VBLJLNCRNIKRLI-UHFFFAOYSA-N 2 1 348.922 3.204 20 0 EGADMP CN(CCC[N@@H+](C)Cc1cc2ccccc2nc1Cl)CC[NH+](C)C ZINC000808781865 1317733061 /nfs/dbraw/zinc/73/30/61/1317733061.db2.gz VBLJLNCRNIKRLI-UHFFFAOYSA-N 2 1 348.922 3.204 20 0 EGADMP CC(C)(C)c1csc([C@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)n1 ZINC000903890150 1317742272 /nfs/dbraw/zinc/74/22/72/1317742272.db2.gz YRDREHQQOCKTTA-WTXIUTQJSA-N 2 1 349.544 3.345 20 0 EGADMP Cc1cccc([C@H]2CCC[N@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)c1C ZINC000903894911 1317744079 /nfs/dbraw/zinc/74/40/79/1317744079.db2.gz HLGHOMDKZXYRGL-FXAWDEMLSA-N 2 1 339.487 3.157 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001020586194 1317790595 /nfs/dbraw/zinc/79/05/95/1317790595.db2.gz HYPDYHUGZYTEGX-WDSOQIARSA-N 2 1 335.536 3.068 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3=O)cc2)CC1 ZINC000810262246 1317988552 /nfs/dbraw/zinc/98/85/52/1317988552.db2.gz NDKVYAMERTZYFN-MRXNPFEDSA-N 2 1 329.488 3.338 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001021281874 1318170711 /nfs/dbraw/zinc/17/07/11/1318170711.db2.gz PJPKJIAWOILXAZ-YGFFAISXSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001021281874 1318170718 /nfs/dbraw/zinc/17/07/18/1318170718.db2.gz PJPKJIAWOILXAZ-YGFFAISXSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001021281874 1318170724 /nfs/dbraw/zinc/17/07/24/1318170724.db2.gz PJPKJIAWOILXAZ-YGFFAISXSA-N 2 1 347.547 3.161 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001021303481 1318178551 /nfs/dbraw/zinc/17/85/51/1318178551.db2.gz XIALBQZJFNUWJR-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001021303481 1318178553 /nfs/dbraw/zinc/17/85/53/1318178553.db2.gz XIALBQZJFNUWJR-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001021303481 1318178554 /nfs/dbraw/zinc/17/85/54/1318178554.db2.gz XIALBQZJFNUWJR-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCC2CC2)C1 ZINC001021358000 1318208419 /nfs/dbraw/zinc/20/84/19/1318208419.db2.gz VZTVWGDGZCEBJH-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2CC2)C1 ZINC001021358000 1318208429 /nfs/dbraw/zinc/20/84/29/1318208429.db2.gz VZTVWGDGZCEBJH-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CC2)C1 ZINC001021358000 1318208438 /nfs/dbraw/zinc/20/84/38/1318208438.db2.gz VZTVWGDGZCEBJH-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CC2)CC1 ZINC001021426810 1318244088 /nfs/dbraw/zinc/24/40/88/1318244088.db2.gz NPAASUHYYGNVIJ-IHWFROFDSA-N 2 1 347.547 3.019 20 0 EGADMP CC[N@H+](CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)C(C)C ZINC000812718210 1318444315 /nfs/dbraw/zinc/44/43/15/1318444315.db2.gz IJZSWULUCHYGSS-IAGOWNOFSA-N 2 1 341.540 3.342 20 0 EGADMP CC[N@@H+](CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)C(C)C ZINC000812718210 1318444320 /nfs/dbraw/zinc/44/43/20/1318444320.db2.gz IJZSWULUCHYGSS-IAGOWNOFSA-N 2 1 341.540 3.342 20 0 EGADMP OCc1cc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc[nH+]1 ZINC000858461284 1328768473 /nfs/dbraw/zinc/76/84/73/1328768473.db2.gz PZJFCURLWGOPKL-UHFFFAOYSA-N 2 1 337.467 3.066 20 0 EGADMP C[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CCC(C)(C)C)CC[C@H]32)CC1 ZINC001021666857 1318529048 /nfs/dbraw/zinc/52/90/48/1318529048.db2.gz XLOKJXKOZWOTBX-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP c1cc2c(cc1C[NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCCC2 ZINC000813772529 1318629059 /nfs/dbraw/zinc/62/90/59/1318629059.db2.gz JTDQHZRSUATTMQ-NRFANRHFSA-N 2 1 328.500 3.298 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000858491128 1328778010 /nfs/dbraw/zinc/77/80/10/1328778010.db2.gz YSPYKVCYNWJNMZ-ARFHVFGLSA-N 2 1 346.462 3.065 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCCC1 ZINC000960629036 1318754999 /nfs/dbraw/zinc/75/49/99/1318754999.db2.gz PSHJYVHPLOCANV-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCC1 ZINC000960629036 1318755003 /nfs/dbraw/zinc/75/50/03/1318755003.db2.gz PSHJYVHPLOCANV-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCC1 ZINC000960629036 1318755008 /nfs/dbraw/zinc/75/50/08/1318755008.db2.gz PSHJYVHPLOCANV-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccsc1 ZINC000960630639 1318755792 /nfs/dbraw/zinc/75/57/92/1318755792.db2.gz XKGFUGNXQATEEX-QZTJIDSGSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccsc1 ZINC000960630639 1318755798 /nfs/dbraw/zinc/75/57/98/1318755798.db2.gz XKGFUGNXQATEEX-QZTJIDSGSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccsc1 ZINC000960630639 1318755800 /nfs/dbraw/zinc/75/58/00/1318755800.db2.gz XKGFUGNXQATEEX-QZTJIDSGSA-N 2 1 349.544 3.044 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001022165035 1318825273 /nfs/dbraw/zinc/82/52/73/1318825273.db2.gz STMINAKGVXDRIW-FFGOWVMKSA-N 2 1 343.515 3.167 20 0 EGADMP CCc1ccccc1C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC000960717960 1318828096 /nfs/dbraw/zinc/82/80/96/1318828096.db2.gz NCVVUJRTJUQZSL-WOJBJXKFSA-N 2 1 345.531 3.012 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC[C@H]2C[N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC000960942534 1319080374 /nfs/dbraw/zinc/08/03/74/1319080374.db2.gz YSWLEPIDFOPIKN-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001022838470 1319133470 /nfs/dbraw/zinc/13/34/70/1319133470.db2.gz PEWJCOVMZPRDHW-ZGXWSNOMSA-N 2 1 345.531 3.131 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)Cc1ccsc1 ZINC000961030817 1319153721 /nfs/dbraw/zinc/15/37/21/1319153721.db2.gz FXBLDIZQUCGDOM-ZWKOTPCHSA-N 2 1 349.544 3.045 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccsc1 ZINC000961030817 1319153723 /nfs/dbraw/zinc/15/37/23/1319153723.db2.gz FXBLDIZQUCGDOM-ZWKOTPCHSA-N 2 1 349.544 3.045 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccsc1 ZINC000961030817 1319153727 /nfs/dbraw/zinc/15/37/27/1319153727.db2.gz FXBLDIZQUCGDOM-ZWKOTPCHSA-N 2 1 349.544 3.045 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)Cc1ccsc1 ZINC000961030812 1319154062 /nfs/dbraw/zinc/15/40/62/1319154062.db2.gz FXBLDIZQUCGDOM-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccsc1 ZINC000961030812 1319154067 /nfs/dbraw/zinc/15/40/67/1319154067.db2.gz FXBLDIZQUCGDOM-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccsc1 ZINC000961030812 1319154071 /nfs/dbraw/zinc/15/40/71/1319154071.db2.gz FXBLDIZQUCGDOM-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CC2)o1 ZINC000961051929 1319174545 /nfs/dbraw/zinc/17/45/45/1319174545.db2.gz XZSITMSXZCXDGX-QGZVFWFLSA-N 2 1 347.503 3.068 20 0 EGADMP C[N@H+]1CC=C(C[NH2+][C@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817581412 1319404576 /nfs/dbraw/zinc/40/45/76/1319404576.db2.gz RZXAHGQFWFONLX-ZDUSSCGKSA-N 2 1 342.306 3.208 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817581412 1319404582 /nfs/dbraw/zinc/40/45/82/1319404582.db2.gz RZXAHGQFWFONLX-ZDUSSCGKSA-N 2 1 342.306 3.208 20 0 EGADMP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000817895348 1319453941 /nfs/dbraw/zinc/45/39/41/1319453941.db2.gz UBUMLXIXPZQQAS-VAMGGRTRSA-N 2 1 326.440 3.242 20 0 EGADMP C[C@](O)(C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000817918882 1319460426 /nfs/dbraw/zinc/46/04/26/1319460426.db2.gz YTRUJLIUVOQFSA-AQNXPRMDSA-N 2 1 328.431 3.116 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cc(Br)ncc1F ZINC000817946846 1319471802 /nfs/dbraw/zinc/47/18/02/1319471802.db2.gz GKKPXRZBEDWSIK-DCAQKATOSA-N 2 1 330.245 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001023365125 1319476151 /nfs/dbraw/zinc/47/61/51/1319476151.db2.gz XOSHJQNUUUQCSU-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023365125 1319476156 /nfs/dbraw/zinc/47/61/56/1319476156.db2.gz XOSHJQNUUUQCSU-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001023365125 1319476161 /nfs/dbraw/zinc/47/61/61/1319476161.db2.gz XOSHJQNUUUQCSU-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000817960518 1319478457 /nfs/dbraw/zinc/47/84/57/1319478457.db2.gz MKFYRWNPOBHJEI-HNNXBMFYSA-N 2 1 330.476 3.108 20 0 EGADMP CC[NH+](CC)Cc1cc([C@H](C)N[C@@H]2CC[NH2+][C@H](C)C2)ccc1OC ZINC000817972066 1319481387 /nfs/dbraw/zinc/48/13/87/1319481387.db2.gz SVPNASZJWAZUCW-JTDSTZFVSA-N 2 1 333.520 3.328 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023402158 1319509987 /nfs/dbraw/zinc/50/99/87/1319509987.db2.gz HDSPEJWPUFCOBZ-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001023402158 1319509998 /nfs/dbraw/zinc/50/99/98/1319509998.db2.gz HDSPEJWPUFCOBZ-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001023402158 1319510005 /nfs/dbraw/zinc/51/00/05/1319510005.db2.gz HDSPEJWPUFCOBZ-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000818180111 1319510992 /nfs/dbraw/zinc/51/09/92/1319510992.db2.gz SHXKLEDVPKMOAM-HNNXBMFYSA-N 2 1 338.467 3.329 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+](CCC)C2)CC1 ZINC000961368115 1319524530 /nfs/dbraw/zinc/52/45/30/1319524530.db2.gz QRTLIIIPYALFJK-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000961368115 1319524537 /nfs/dbraw/zinc/52/45/37/1319524537.db2.gz QRTLIIIPYALFJK-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000961368115 1319524541 /nfs/dbraw/zinc/52/45/41/1319524541.db2.gz QRTLIIIPYALFJK-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000818962715 1319594215 /nfs/dbraw/zinc/59/42/15/1319594215.db2.gz WIZIGPHLWLMAMA-HXUWFJFHSA-N 2 1 330.447 3.489 20 0 EGADMP O[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)(F)F ZINC000819326263 1319699017 /nfs/dbraw/zinc/69/90/17/1319699017.db2.gz MMRBLYKAEIYLNF-HMQMGEFJSA-N 2 1 342.405 3.085 20 0 EGADMP O[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)(F)F ZINC000819326263 1319699030 /nfs/dbraw/zinc/69/90/30/1319699030.db2.gz MMRBLYKAEIYLNF-HMQMGEFJSA-N 2 1 342.405 3.085 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC(C[NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC000962308502 1319910202 /nfs/dbraw/zinc/91/02/02/1319910202.db2.gz GKQSIWATPCIMCC-IPJUCJBFSA-N 2 1 349.563 3.029 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023763588 1319910415 /nfs/dbraw/zinc/91/04/15/1319910415.db2.gz UREXTHOSFGCESL-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001023763588 1319910421 /nfs/dbraw/zinc/91/04/21/1319910421.db2.gz UREXTHOSFGCESL-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001023763588 1319910426 /nfs/dbraw/zinc/91/04/26/1319910426.db2.gz UREXTHOSFGCESL-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763211 1319910552 /nfs/dbraw/zinc/91/05/52/1319910552.db2.gz FENYTWNDQPKLPN-MSOLQXFVSA-N 2 1 345.531 3.236 20 0 EGADMP C[C@H](O)C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000820814108 1319959743 /nfs/dbraw/zinc/95/97/43/1319959743.db2.gz FSVLESCWIKFIQH-BCOAZMJDSA-N 2 1 328.500 3.289 20 0 EGADMP Fc1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c(F)cn1 ZINC000823866947 1320212674 /nfs/dbraw/zinc/21/26/74/1320212674.db2.gz VFOTYTAOYMEHKZ-UHFFFAOYSA-N 2 1 347.409 3.124 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000826653689 1320393884 /nfs/dbraw/zinc/39/38/84/1320393884.db2.gz HYUQDHWEARJXTO-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839680213 1320959101 /nfs/dbraw/zinc/95/91/01/1320959101.db2.gz SBXAOOJCJHUTTA-IBGZPJMESA-N 2 1 339.524 3.194 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839680213 1320959104 /nfs/dbraw/zinc/95/91/04/1320959104.db2.gz SBXAOOJCJHUTTA-IBGZPJMESA-N 2 1 339.524 3.194 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)ccc1OC(=O)CC ZINC000840903010 1321173357 /nfs/dbraw/zinc/17/33/57/1321173357.db2.gz KGGQGVFOTPSBNP-IRXDYDNUSA-N 2 1 348.487 3.363 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000841032124 1321204654 /nfs/dbraw/zinc/20/46/54/1321204654.db2.gz MEFNNQVNZKOSAY-PGRDOPGGSA-N 3 1 337.511 3.331 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000841032124 1321204658 /nfs/dbraw/zinc/20/46/58/1321204658.db2.gz MEFNNQVNZKOSAY-PGRDOPGGSA-N 3 1 337.511 3.331 20 0 EGADMP CCc1oc(C(=O)OC)cc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214181 1328948018 /nfs/dbraw/zinc/94/80/18/1328948018.db2.gz FNYYLVMQBXKTCU-UHFFFAOYSA-N 2 1 344.455 3.322 20 0 EGADMP CCc1oc(C(=O)OC)cc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214181 1328948022 /nfs/dbraw/zinc/94/80/22/1328948022.db2.gz FNYYLVMQBXKTCU-UHFFFAOYSA-N 2 1 344.455 3.322 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215406 1328949211 /nfs/dbraw/zinc/94/92/11/1328949211.db2.gz GFOHKAJGHYGVLN-HLIPFELVSA-N 2 1 345.531 3.263 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215406 1328949212 /nfs/dbraw/zinc/94/92/12/1328949212.db2.gz GFOHKAJGHYGVLN-HLIPFELVSA-N 2 1 345.531 3.263 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)NCCC2=CCCCC2)cc1 ZINC000859216110 1328949225 /nfs/dbraw/zinc/94/92/25/1328949225.db2.gz XGSNNOXRHCFNKV-UHFFFAOYSA-N 2 1 343.515 3.187 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)NCCC2=CCCCC2)cc1 ZINC000859216110 1328949230 /nfs/dbraw/zinc/94/92/30/1328949230.db2.gz XGSNNOXRHCFNKV-UHFFFAOYSA-N 2 1 343.515 3.187 20 0 EGADMP NC(=[NH+]OCc1ccc(C[NH+]2CCCCC2)cc1)C1CCOCC1 ZINC000842030269 1321337083 /nfs/dbraw/zinc/33/70/83/1321337083.db2.gz WASMCUFZORYJLT-UHFFFAOYSA-N 2 1 331.460 3.098 20 0 EGADMP CC(C)(C)c1ccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000842473136 1321393352 /nfs/dbraw/zinc/39/33/52/1321393352.db2.gz QFCLVZNBAWCRDF-LJQANCHMSA-N 2 1 343.515 3.387 20 0 EGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000842477976 1321394482 /nfs/dbraw/zinc/39/44/82/1321394482.db2.gz CZIIYJJBWYOAPF-BBRMVZONSA-N 2 1 344.286 3.107 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Br)cnc1Cl ZINC000842672575 1321416918 /nfs/dbraw/zinc/41/69/18/1321416918.db2.gz WBFMGSPOSZWCCZ-UHFFFAOYSA-N 2 1 343.656 3.182 20 0 EGADMP C[N@@H+](Cc1ccccc1OCc1ccccn1)C1CCC([NH3+])CC1 ZINC000843055679 1321463021 /nfs/dbraw/zinc/46/30/21/1321463021.db2.gz KJVOGHSJJJWEPD-UHFFFAOYSA-N 2 1 325.456 3.362 20 0 EGADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000843126786 1321474408 /nfs/dbraw/zinc/47/44/08/1321474408.db2.gz AFGMRUHJCBDQCB-RYUDHWBXSA-N 2 1 338.858 3.248 20 0 EGADMP [NH3+]CCCCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000843342408 1321502857 /nfs/dbraw/zinc/50/28/57/1321502857.db2.gz QGNCFQYVTNUULG-PCCBWWKXSA-N 3 1 329.532 3.396 20 0 EGADMP C[N@@H+](CC(=O)Nc1ccc(SC(F)F)cc1)C1CCC([NH3+])CC1 ZINC000843353283 1321503883 /nfs/dbraw/zinc/50/38/83/1321503883.db2.gz WRHMBEAJUOZULE-UHFFFAOYSA-N 2 1 343.443 3.142 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843378284 1321508764 /nfs/dbraw/zinc/50/87/64/1321508764.db2.gz ZGQUBHCDMXQBFR-CVEARBPZSA-N 2 1 325.456 3.228 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843378289 1321508869 /nfs/dbraw/zinc/50/88/69/1321508869.db2.gz ZGQUBHCDMXQBFR-HZPDHXFCSA-N 2 1 325.456 3.228 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2cc3ccccc3nc2Cl)CC12CCOCC2 ZINC000843387898 1321509468 /nfs/dbraw/zinc/50/94/68/1321509468.db2.gz JPOAAWBMYCWJIJ-INIZCTEOSA-N 2 1 345.874 3.076 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3ccccc3nc2Cl)CC12CCOCC2 ZINC000843387898 1321509471 /nfs/dbraw/zinc/50/94/71/1321509471.db2.gz JPOAAWBMYCWJIJ-INIZCTEOSA-N 2 1 345.874 3.076 20 0 EGADMP Cc1ccc2c(C[N@@H+](CCC[NH3+])CC3CCCC3)cc(=O)oc2c1 ZINC000843384837 1321509665 /nfs/dbraw/zinc/50/96/65/1321509665.db2.gz BSOFSKRVYRIIEL-UHFFFAOYSA-N 2 1 328.456 3.442 20 0 EGADMP CCCN(C(=O)C[C@@H]([NH3+])C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000844173865 1321576081 /nfs/dbraw/zinc/57/60/81/1321576081.db2.gz BAHXXXQBVKQHCJ-VQTJNVASSA-N 2 1 343.515 3.017 20 0 EGADMP [NH3+]CCC1CC[NH+](CC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000846225616 1321778317 /nfs/dbraw/zinc/77/83/17/1321778317.db2.gz PXSBFNWYIDNVAF-UHFFFAOYSA-N 2 1 343.443 3.001 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](Cc2ccccc2C(C)C)CC1 ZINC000848911421 1322043003 /nfs/dbraw/zinc/04/30/03/1322043003.db2.gz UHBSWWLWTPCTKA-UHFFFAOYSA-N 2 1 348.531 3.369 20 0 EGADMP COC(=O)/C=C/c1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000848910705 1322043225 /nfs/dbraw/zinc/04/32/25/1322043225.db2.gz NDAUJWYNTKTRFN-VAWYXSNFSA-N 2 1 342.439 3.159 20 0 EGADMP C[C@H]1C[C@@H](CCNC(=[NH2+])N2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000848989288 1322056399 /nfs/dbraw/zinc/05/63/99/1322056399.db2.gz LIIWUAWQXOMWTQ-PKOBYXMFSA-N 2 1 328.504 3.297 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cc(OCC)ccc1OCC ZINC000849050864 1322058568 /nfs/dbraw/zinc/05/85/68/1322058568.db2.gz MAFZABILMWXSJP-HNNXBMFYSA-N 2 1 348.491 3.295 20 0 EGADMP CC[C@H](CNC(=[NH2+])N1CCC[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000849063101 1322062954 /nfs/dbraw/zinc/06/29/54/1322062954.db2.gz WPFRRNUKYRZFQD-QFBILLFUSA-N 2 1 328.504 3.080 20 0 EGADMP CC[C@H](CNC(=[NH2+])N1CCC[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000849063101 1322062959 /nfs/dbraw/zinc/06/29/59/1322062959.db2.gz WPFRRNUKYRZFQD-QFBILLFUSA-N 2 1 328.504 3.080 20 0 EGADMP Cc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000849106135 1322079823 /nfs/dbraw/zinc/07/98/23/1322079823.db2.gz WJNKDVAKPXTKJA-LJQANCHMSA-N 2 1 328.504 3.406 20 0 EGADMP CCOc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)c1 ZINC000850134563 1322196872 /nfs/dbraw/zinc/19/68/72/1322196872.db2.gz ALWHQYDBGFGOPH-FQEVSTJZSA-N 2 1 332.488 3.127 20 0 EGADMP CCOC(=O)NC1CCC([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000850427457 1322246794 /nfs/dbraw/zinc/24/67/94/1322246794.db2.gz UDBSLDJWGXSNKB-KLAILNCOSA-N 2 1 339.524 3.144 20 0 EGADMP CCOC(=O)NC1CCC([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000850427457 1322246802 /nfs/dbraw/zinc/24/68/02/1322246802.db2.gz UDBSLDJWGXSNKB-KLAILNCOSA-N 2 1 339.524 3.144 20 0 EGADMP CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000921982032 1322434442 /nfs/dbraw/zinc/43/44/42/1322434442.db2.gz ZVRFKRXEULTWJK-CEXWTWQISA-N 2 1 334.529 3.017 20 0 EGADMP CC(C)Oc1cccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000922388508 1322516183 /nfs/dbraw/zinc/51/61/83/1322516183.db2.gz QUELUAQIHGCVSP-NCYKPQTJSA-N 2 1 346.515 3.043 20 0 EGADMP FC(F)(F)c1ccccc1[C@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923312757 1322731636 /nfs/dbraw/zinc/73/16/36/1322731636.db2.gz PWTGOKKIFUBLMM-CZUORRHYSA-N 2 1 340.389 3.221 20 0 EGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923368568 1322741654 /nfs/dbraw/zinc/74/16/54/1322741654.db2.gz RMTIDDOPCIZNET-QRWLVFNGSA-N 2 1 339.483 3.118 20 0 EGADMP [NH3+]C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)C1CCCCC1 ZINC000923375204 1322742450 /nfs/dbraw/zinc/74/24/50/1322742450.db2.gz ZNXIWUHAUKCUHJ-NVXWUHKLSA-N 2 1 344.421 3.106 20 0 EGADMP FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923400723 1322745641 /nfs/dbraw/zinc/74/56/41/1322745641.db2.gz XYYMKZMQJKJMCX-NUEKZKHPSA-N 2 1 340.389 3.043 20 0 EGADMP C[C@H](Cn1ccnc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924648380 1323092717 /nfs/dbraw/zinc/09/27/17/1323092717.db2.gz JXPWNJYCLYAVKG-LBFURVHYSA-N 2 1 338.499 3.447 20 0 EGADMP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000924667200 1323102695 /nfs/dbraw/zinc/10/26/95/1323102695.db2.gz HYALRNLVXROCSI-UWVAXJGDSA-N 2 1 343.515 3.065 20 0 EGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000924696507 1323117671 /nfs/dbraw/zinc/11/76/71/1323117671.db2.gz DLJWQNYSROQXBC-INIZCTEOSA-N 2 1 325.456 3.411 20 0 EGADMP CN(C)C(=O)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924831894 1323181369 /nfs/dbraw/zinc/18/13/69/1323181369.db2.gz OHOKTEYIDAVOIM-IHWFROFDSA-N 2 1 343.515 3.030 20 0 EGADMP OCCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000924940010 1323221308 /nfs/dbraw/zinc/22/13/08/1323221308.db2.gz IDRKEHWDLXTMOA-BHIFYINESA-N 2 1 344.543 3.472 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1cnnn1C ZINC000925052584 1323257700 /nfs/dbraw/zinc/25/77/00/1323257700.db2.gz UXAAEFVKNDFEBX-MRXNPFEDSA-N 2 1 327.476 3.042 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc2ccccc2[nH]1 ZINC000925057956 1323259886 /nfs/dbraw/zinc/25/98/86/1323259886.db2.gz WCASIXOFPVHHTE-MAUKXSAKSA-N 2 1 327.472 3.462 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024436437 1323395266 /nfs/dbraw/zinc/39/52/66/1323395266.db2.gz DCEYSOYWWKEORF-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001024436437 1323395269 /nfs/dbraw/zinc/39/52/69/1323395269.db2.gz DCEYSOYWWKEORF-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001024436437 1323395273 /nfs/dbraw/zinc/39/52/73/1323395273.db2.gz DCEYSOYWWKEORF-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024437666 1323397333 /nfs/dbraw/zinc/39/73/33/1323397333.db2.gz UWICMLCKCLKDLI-ROUUACIJSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC001024437666 1323397338 /nfs/dbraw/zinc/39/73/38/1323397338.db2.gz UWICMLCKCLKDLI-ROUUACIJSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccsc1 ZINC001024437666 1323397346 /nfs/dbraw/zinc/39/73/46/1323397346.db2.gz UWICMLCKCLKDLI-ROUUACIJSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024437830 1323397878 /nfs/dbraw/zinc/39/78/78/1323397878.db2.gz WXZDWNPSKMXHIB-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001024437830 1323397882 /nfs/dbraw/zinc/39/78/82/1323397882.db2.gz WXZDWNPSKMXHIB-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001024437830 1323397889 /nfs/dbraw/zinc/39/78/89/1323397889.db2.gz WXZDWNPSKMXHIB-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440287 1323401566 /nfs/dbraw/zinc/40/15/66/1323401566.db2.gz MLKFLZISPQUUNE-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440287 1323401570 /nfs/dbraw/zinc/40/15/70/1323401570.db2.gz MLKFLZISPQUUNE-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440287 1323401575 /nfs/dbraw/zinc/40/15/75/1323401575.db2.gz MLKFLZISPQUUNE-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024469572 1323425625 /nfs/dbraw/zinc/42/56/25/1323425625.db2.gz TUPZPCLUVPDSEO-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC001024469572 1323425630 /nfs/dbraw/zinc/42/56/30/1323425630.db2.gz TUPZPCLUVPDSEO-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCC1CCC1 ZINC001024469572 1323425633 /nfs/dbraw/zinc/42/56/33/1323425633.db2.gz TUPZPCLUVPDSEO-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479676 1323433610 /nfs/dbraw/zinc/43/36/10/1323433610.db2.gz MWCSHDNFVPCJCT-ZWKOTPCHSA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479676 1323433614 /nfs/dbraw/zinc/43/36/14/1323433614.db2.gz MWCSHDNFVPCJCT-ZWKOTPCHSA-N 2 1 346.519 3.167 20 0 EGADMP CC1(C)CC(C[N@H+]2CCCC[C@@H]2CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001024530607 1323475766 /nfs/dbraw/zinc/47/57/66/1323475766.db2.gz HDXWUGKZIMOBRP-GOSISDBHSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001024812997 1323715161 /nfs/dbraw/zinc/71/51/61/1323715161.db2.gz VALQUXYDWUESLO-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001024812997 1323715166 /nfs/dbraw/zinc/71/51/66/1323715166.db2.gz VALQUXYDWUESLO-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001024812997 1323715174 /nfs/dbraw/zinc/71/51/74/1323715174.db2.gz VALQUXYDWUESLO-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001024902720 1323772068 /nfs/dbraw/zinc/77/20/68/1323772068.db2.gz YUABMCGFUHLNCY-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001024979893 1323812433 /nfs/dbraw/zinc/81/24/33/1323812433.db2.gz ZMFFLGBDNPMISJ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001024989321 1323814955 /nfs/dbraw/zinc/81/49/55/1323814955.db2.gz GWBMOQIUYXTAJX-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001024989644 1323816031 /nfs/dbraw/zinc/81/60/31/1323816031.db2.gz VGUZLPWCXZAPGB-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCCC[C@H]1C[NH2+]CC1CC1 ZINC001025004839 1323822667 /nfs/dbraw/zinc/82/26/67/1323822667.db2.gz CIXJWELBHXAXAU-SFHVURJKSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)c1ccc(-c2noc(CN3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)n2)cc1 ZINC000931430923 1329115711 /nfs/dbraw/zinc/11/57/11/1329115711.db2.gz SGOZSIULUQMROU-ZWKOTPCHSA-N 2 1 340.471 3.244 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(Cc3csc(-c4ccccc4F)n3)C[C@@H]2C1 ZINC000931434750 1329116785 /nfs/dbraw/zinc/11/67/85/1329116785.db2.gz ZSONCZLTWQMDMB-KGLIPLIRSA-N 2 1 331.460 3.333 20 0 EGADMP CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001025056628 1323861424 /nfs/dbraw/zinc/86/14/24/1323861424.db2.gz QFINVLWBQWJFDT-OALUTQOASA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025239183 1324030833 /nfs/dbraw/zinc/03/08/33/1324030833.db2.gz CJOOBCVKUPTEAQ-ZWKOTPCHSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025287064 1324109212 /nfs/dbraw/zinc/10/92/12/1324109212.db2.gz BTEKMHTUPIFIEL-RBUKOAKNSA-N 2 1 344.503 3.017 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025287064 1324109222 /nfs/dbraw/zinc/10/92/22/1324109222.db2.gz BTEKMHTUPIFIEL-RBUKOAKNSA-N 2 1 344.503 3.017 20 0 EGADMP O=C(NC1CCC([NH2+]CC2CC2)CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001026494609 1324847921 /nfs/dbraw/zinc/84/79/21/1324847921.db2.gz WOZOZOXVNZVZSY-VIQWUECVSA-N 2 1 347.547 3.068 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001026504173 1324853556 /nfs/dbraw/zinc/85/35/56/1324853556.db2.gz XHILLLOFBCUXRJ-CTWPCTMYSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(Br)n1 ZINC000925219449 1325084322 /nfs/dbraw/zinc/08/43/22/1325084322.db2.gz DHVFDHQZESUHIA-RWMBFGLXSA-N 2 1 326.282 3.368 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963329226 1325113398 /nfs/dbraw/zinc/11/33/98/1325113398.db2.gz XCUKRQXJEBCKEV-PKOBYXMFSA-N 2 1 340.471 3.061 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963371256 1325175775 /nfs/dbraw/zinc/17/57/75/1325175775.db2.gz CYEOUUWJLFFQKM-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963371256 1325175788 /nfs/dbraw/zinc/17/57/88/1325175788.db2.gz CYEOUUWJLFFQKM-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP N[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C12CCC2 ZINC000925560029 1325209766 /nfs/dbraw/zinc/20/97/66/1325209766.db2.gz VYPMQWOALLEQJO-RTBURBONSA-N 2 1 347.934 3.412 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001027103904 1325228687 /nfs/dbraw/zinc/22/86/87/1325228687.db2.gz IFPYNWYWXLPGSO-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000963420089 1325229231 /nfs/dbraw/zinc/22/92/31/1325229231.db2.gz HLXGAZTXEVNHPX-AFMYVXGZSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]1[NH2+]CCC[C@H]1NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000925621544 1325235429 /nfs/dbraw/zinc/23/54/29/1325235429.db2.gz FBYYGMRKVVJHQH-OXJNMPFZSA-N 2 1 327.472 3.142 20 0 EGADMP OC[C@H](CC1CC1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925624857 1325236937 /nfs/dbraw/zinc/23/69/37/1325236937.db2.gz DNECKHNXAACPDG-ASJDWODUSA-N 2 1 328.500 3.323 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccnc(Oc3ccccc3F)c2)C12CCC2 ZINC000925658781 1325251218 /nfs/dbraw/zinc/25/12/18/1325251218.db2.gz UWIIFIBRZZDXTB-SJORKVTESA-N 2 1 327.403 3.373 20 0 EGADMP CC(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000964015552 1325475817 /nfs/dbraw/zinc/47/58/17/1325475817.db2.gz URFRDKOIQNMFJZ-ACBHZAAOSA-N 2 1 337.552 3.265 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1(Br)CC1 ZINC000926325051 1325516807 /nfs/dbraw/zinc/51/68/07/1325516807.db2.gz JBLGGAVPCWAVMB-HOCLYGCPSA-N 2 1 337.305 3.414 20 0 EGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)c1cccc(-n2cnnc2)c1 ZINC000926504527 1325579789 /nfs/dbraw/zinc/57/97/89/1325579789.db2.gz UVNJORCMZIWOLH-HKUYNNGSSA-N 2 1 341.503 3.428 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(Br)n1 ZINC000926572218 1327619951 /nfs/dbraw/zinc/61/99/51/1327619951.db2.gz CVQIYRDBLYBRHS-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1 ZINC001027416157 1327644577 /nfs/dbraw/zinc/64/45/77/1327644577.db2.gz AAZQYTVQXTVCMI-AEFFLSMTSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC001027416157 1327644582 /nfs/dbraw/zinc/64/45/82/1327644582.db2.gz AAZQYTVQXTVCMI-AEFFLSMTSA-N 2 1 346.519 3.120 20 0 EGADMP C[N@H+]1C[C@@H](C[NH2+]C2CC3(C2)COC(C)(C)C3)[C@H](c2ccccc2)C1 ZINC000926637111 1327646971 /nfs/dbraw/zinc/64/69/71/1327646971.db2.gz ZHGWWFRHVWHLPD-GUFYVYCGSA-N 2 1 328.500 3.269 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH+](C)CC2CCCC2)C1 ZINC001027442150 1327681282 /nfs/dbraw/zinc/68/12/82/1327681282.db2.gz BQJUZBAGOHJFTL-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC001027442150 1327681289 /nfs/dbraw/zinc/68/12/89/1327681289.db2.gz BQJUZBAGOHJFTL-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027442150 1327681304 /nfs/dbraw/zinc/68/13/04/1327681304.db2.gz BQJUZBAGOHJFTL-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@H]([N@@H+](C)CCC3=CCCCC3)C2)CCC1 ZINC001027441929 1327682708 /nfs/dbraw/zinc/68/27/08/1327682708.db2.gz YZKNSZMADWTZCD-IBGZPJMESA-N 2 1 347.547 3.284 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3cccnc32)[C@@H](C)C1 ZINC000927060633 1327834985 /nfs/dbraw/zinc/83/49/85/1327834985.db2.gz ZKYBISCUAAUMFU-QXAKKESOSA-N 2 1 331.504 3.186 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3cccnc32)[C@@H](C)C1 ZINC000927060633 1327834995 /nfs/dbraw/zinc/83/49/95/1327834995.db2.gz ZKYBISCUAAUMFU-QXAKKESOSA-N 2 1 331.504 3.186 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027682854 1328080805 /nfs/dbraw/zinc/08/08/05/1328080805.db2.gz YESINBQORMBRCH-WOJBJXKFSA-N 2 1 343.515 3.156 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@@H]2CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cs1 ZINC001027879487 1328344304 /nfs/dbraw/zinc/34/43/04/1328344304.db2.gz SVHPVWZGGMUMLX-QZTJIDSGSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCC[NH+]2C(C)C)cs1 ZINC001027879487 1328344310 /nfs/dbraw/zinc/34/43/10/1328344310.db2.gz SVHPVWZGGMUMLX-QZTJIDSGSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCC[NH+]2C(C)C)cs1 ZINC001027879487 1328344317 /nfs/dbraw/zinc/34/43/17/1328344317.db2.gz SVHPVWZGGMUMLX-QZTJIDSGSA-N 2 1 349.544 3.010 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCC2CCCCC2)CC[N@H+]1C ZINC001027893142 1328358707 /nfs/dbraw/zinc/35/87/07/1328358707.db2.gz NVTPDWVBMBPMRE-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCC2CCCCC2)CC[NH+]1C ZINC001027893142 1328358717 /nfs/dbraw/zinc/35/87/17/1328358717.db2.gz NVTPDWVBMBPMRE-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCC2CCCCC2)CC[NH+]1C ZINC001027893142 1328358723 /nfs/dbraw/zinc/35/87/23/1328358723.db2.gz NVTPDWVBMBPMRE-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC2CCC(C)(C)CC2)CC[N@H+]1C ZINC001027895388 1328361310 /nfs/dbraw/zinc/36/13/10/1328361310.db2.gz WPTAIUONOXDVEG-NZSAHSFTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCC(C)(C)CC2)CC[NH+]1C ZINC001027895388 1328361313 /nfs/dbraw/zinc/36/13/13/1328361313.db2.gz WPTAIUONOXDVEG-NZSAHSFTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC2CCC(C)(C)CC2)CC[NH+]1C ZINC001027895388 1328361321 /nfs/dbraw/zinc/36/13/21/1328361321.db2.gz WPTAIUONOXDVEG-NZSAHSFTSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1csc(C)c1 ZINC001027919646 1328398670 /nfs/dbraw/zinc/39/86/70/1328398670.db2.gz ZDQFDQOPQSDULD-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1csc(C)c1 ZINC001027919646 1328398674 /nfs/dbraw/zinc/39/86/74/1328398674.db2.gz ZDQFDQOPQSDULD-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1csc(C)c1 ZINC001027919646 1328398683 /nfs/dbraw/zinc/39/86/83/1328398683.db2.gz ZDQFDQOPQSDULD-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CC1=CCCCC1)c1ccc2c[nH+]cn2c1 ZINC001028027658 1328491407 /nfs/dbraw/zinc/49/14/07/1328491407.db2.gz AGRGMEYREXXGNF-SFHVURJKSA-N 2 1 338.455 3.029 20 0 EGADMP c1coc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[NH+]2CCCC2)c1 ZINC000863983408 1329592476 /nfs/dbraw/zinc/59/24/76/1329592476.db2.gz GZLMDIBESKBERI-DQXYTYHJSA-N 2 1 329.488 3.164 20 0 EGADMP CC(C)[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2cc(F)ccc2F)CC1 ZINC000865404467 1329692344 /nfs/dbraw/zinc/69/23/44/1329692344.db2.gz LYGIECJSLOXMDE-UHFFFAOYSA-N 2 1 348.441 3.328 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC000865427210 1329695838 /nfs/dbraw/zinc/69/58/38/1329695838.db2.gz ABZWTTOTJZGPER-AWEZNQCLSA-N 2 1 348.441 3.187 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000865438537 1329697549 /nfs/dbraw/zinc/69/75/49/1329697549.db2.gz CEKAVZSONLVDSZ-UHFFFAOYSA-N 2 1 344.459 3.006 20 0 EGADMP O[C@H](CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCCC1 ZINC000865876919 1329748188 /nfs/dbraw/zinc/74/81/88/1329748188.db2.gz ZACVZQFOMVHMRZ-OAQYLSRUSA-N 2 1 330.516 3.224 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)c1 ZINC000932481680 1329817588 /nfs/dbraw/zinc/81/75/88/1329817588.db2.gz ZIEWFWRNJKNAHL-IBGZPJMESA-N 2 1 331.504 3.016 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC000932481680 1329817590 /nfs/dbraw/zinc/81/75/90/1329817590.db2.gz ZIEWFWRNJKNAHL-IBGZPJMESA-N 2 1 331.504 3.016 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC000932481680 1329817591 /nfs/dbraw/zinc/81/75/91/1329817591.db2.gz ZIEWFWRNJKNAHL-IBGZPJMESA-N 2 1 331.504 3.016 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1C ZINC000934072477 1329944035 /nfs/dbraw/zinc/94/40/35/1329944035.db2.gz GOCFIAQFQCYIAF-WBVHZDCISA-N 2 1 345.491 3.018 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1C ZINC000934072477 1329944036 /nfs/dbraw/zinc/94/40/36/1329944036.db2.gz GOCFIAQFQCYIAF-WBVHZDCISA-N 2 1 345.491 3.018 20 0 EGADMP C[C@H]1C[N@@H+](CCCC2CCC2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942257105 1331889840 /nfs/dbraw/zinc/88/98/40/1331889840.db2.gz JDCKHWFRZGCTQM-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1C[N@@H+](CCCC2CCCC2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597030 1331995977 /nfs/dbraw/zinc/99/59/77/1331995977.db2.gz IAAAGXHOYNNWJX-FXAWDEMLSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942720399 1332024604 /nfs/dbraw/zinc/02/46/04/1332024604.db2.gz IQHJBPOFEMDUNX-XLIONFOSSA-N 2 1 345.531 3.031 20 0 EGADMP C[C@@H]1C[N@H+](CCC2CCCCCC2)CC[C@@H]1NC(=O)Cc1cnc[nH]1 ZINC000943175826 1332114101 /nfs/dbraw/zinc/11/41/01/1332114101.db2.gz IQTGVJWMLOZIAK-APWZRJJASA-N 2 1 346.519 3.139 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)CC[C@@H]1NC(=O)Cc1cnc[nH]1 ZINC000943175826 1332114103 /nfs/dbraw/zinc/11/41/03/1332114103.db2.gz IQTGVJWMLOZIAK-APWZRJJASA-N 2 1 346.519 3.139 20 0 EGADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943331994 1332150834 /nfs/dbraw/zinc/15/08/34/1332150834.db2.gz BEIFMBZMSUJRCY-YLJYHZDGSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943516773 1332191965 /nfs/dbraw/zinc/19/19/65/1332191965.db2.gz MTGNDOPRVDESJQ-PXNSSMCTSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945028565 1332480816 /nfs/dbraw/zinc/48/08/16/1332480816.db2.gz JQFOZHFEOWEQNE-PXNSSMCTSA-N 2 1 345.531 3.235 20 0 EGADMP CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]2C1 ZINC000946653776 1332871910 /nfs/dbraw/zinc/87/19/10/1332871910.db2.gz GCZBCCMLHREUHH-HDICACEKSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1C[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@@H]2C1 ZINC000946653776 1332871911 /nfs/dbraw/zinc/87/19/11/1332871911.db2.gz GCZBCCMLHREUHH-HDICACEKSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1C[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@@H]2C1 ZINC000946653776 1332871913 /nfs/dbraw/zinc/87/19/13/1332871913.db2.gz GCZBCCMLHREUHH-HDICACEKSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779292 1332897881 /nfs/dbraw/zinc/89/78/81/1332897881.db2.gz MUAGKUOPZBRXDB-RLLQIKCJSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779292 1332897883 /nfs/dbraw/zinc/89/78/83/1332897883.db2.gz MUAGKUOPZBRXDB-RLLQIKCJSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779292 1332897887 /nfs/dbraw/zinc/89/78/87/1332897887.db2.gz MUAGKUOPZBRXDB-RLLQIKCJSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947361225 1333102965 /nfs/dbraw/zinc/10/29/65/1333102965.db2.gz MRWFNOKKEJETHW-GOEBONIOSA-N 2 1 337.533 3.048 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1CC1CCCC1 ZINC000947437807 1333127585 /nfs/dbraw/zinc/12/75/85/1333127585.db2.gz SWZYYCYPVYTQAX-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CC1=CCCCC1 ZINC000947493214 1333146242 /nfs/dbraw/zinc/14/62/42/1333146242.db2.gz QNAOVXSSFZLMLE-IEBWSBKVSA-N 2 1 345.531 3.084 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)[C@H](C)C1 ZINC000947546362 1333167087 /nfs/dbraw/zinc/16/70/87/1333167087.db2.gz GLLQYLQNSYMTNF-VQIMIIECSA-N 2 1 344.503 3.051 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)[C@H](C)C1 ZINC000947546362 1333167089 /nfs/dbraw/zinc/16/70/89/1333167089.db2.gz GLLQYLQNSYMTNF-VQIMIIECSA-N 2 1 344.503 3.051 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC1CCCCCC1 ZINC000947933959 1333311241 /nfs/dbraw/zinc/31/12/41/1333311241.db2.gz ILXJKXNNJRDQNQ-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC000948365536 1333496081 /nfs/dbraw/zinc/49/60/81/1333496081.db2.gz QEUBIDGZHBUANC-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948365536 1333496082 /nfs/dbraw/zinc/49/60/82/1333496082.db2.gz QEUBIDGZHBUANC-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948365536 1333496084 /nfs/dbraw/zinc/49/60/84/1333496084.db2.gz QEUBIDGZHBUANC-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC000948365537 1333496189 /nfs/dbraw/zinc/49/61/89/1333496189.db2.gz QEUBIDGZHBUANC-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948365537 1333496191 /nfs/dbraw/zinc/49/61/91/1333496191.db2.gz QEUBIDGZHBUANC-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948365537 1333496193 /nfs/dbraw/zinc/49/61/93/1333496193.db2.gz QEUBIDGZHBUANC-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2ccsc2)CC1 ZINC000948553910 1333572205 /nfs/dbraw/zinc/57/22/05/1333572205.db2.gz OGDNUUCSIBAONY-QZTJIDSGSA-N 2 1 349.544 3.045 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC000948553910 1333572207 /nfs/dbraw/zinc/57/22/07/1333572207.db2.gz OGDNUUCSIBAONY-QZTJIDSGSA-N 2 1 349.544 3.045 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC000948553910 1333572213 /nfs/dbraw/zinc/57/22/13/1333572213.db2.gz OGDNUUCSIBAONY-QZTJIDSGSA-N 2 1 349.544 3.045 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948643180 1333609115 /nfs/dbraw/zinc/60/91/15/1333609115.db2.gz RLZJMPMFXWHHJQ-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948674449 1333623628 /nfs/dbraw/zinc/62/36/28/1333623628.db2.gz XULYRIGRPPBFGJ-SFHVURJKSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726085 1333648564 /nfs/dbraw/zinc/64/85/64/1333648564.db2.gz MZDFTMDVPBWMGU-QGZVFWFLSA-N 2 1 335.492 3.068 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CCC[NH+](CCC(C)(C)C)CC2)C1 ZINC000948765665 1333668362 /nfs/dbraw/zinc/66/83/62/1333668362.db2.gz AZDYNQSAYBOAMI-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@H+](CCC(C)(C)C)CC2)C1 ZINC000948765665 1333668367 /nfs/dbraw/zinc/66/83/67/1333668367.db2.gz AZDYNQSAYBOAMI-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@@H+](CCC(C)(C)C)CC2)C1 ZINC000948765665 1333668371 /nfs/dbraw/zinc/66/83/71/1333668371.db2.gz AZDYNQSAYBOAMI-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775382 1333673677 /nfs/dbraw/zinc/67/36/77/1333673677.db2.gz HGNTUNYNSYNDTD-IEBWSBKVSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000948775382 1333673678 /nfs/dbraw/zinc/67/36/78/1333673678.db2.gz HGNTUNYNSYNDTD-IEBWSBKVSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000948775382 1333673681 /nfs/dbraw/zinc/67/36/81/1333673681.db2.gz HGNTUNYNSYNDTD-IEBWSBKVSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC000948775481 1333674838 /nfs/dbraw/zinc/67/48/38/1333674838.db2.gz JOFPUYMYSFJXQU-MJGOQNOKSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC000948775481 1333674839 /nfs/dbraw/zinc/67/48/39/1333674839.db2.gz JOFPUYMYSFJXQU-MJGOQNOKSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000948775481 1333674842 /nfs/dbraw/zinc/67/48/42/1333674842.db2.gz JOFPUYMYSFJXQU-MJGOQNOKSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820141 1333697145 /nfs/dbraw/zinc/69/71/45/1333697145.db2.gz ALASWZVKLVQICR-SFHVURJKSA-N 2 1 346.519 3.286 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820141 1333697147 /nfs/dbraw/zinc/69/71/47/1333697147.db2.gz ALASWZVKLVQICR-SFHVURJKSA-N 2 1 346.519 3.286 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948829445 1333701338 /nfs/dbraw/zinc/70/13/38/1333701338.db2.gz NBPLSUWRPCOVLC-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948829445 1333701339 /nfs/dbraw/zinc/70/13/39/1333701339.db2.gz NBPLSUWRPCOVLC-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948829445 1333701341 /nfs/dbraw/zinc/70/13/41/1333701341.db2.gz NBPLSUWRPCOVLC-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)c1 ZINC000949627781 1333885675 /nfs/dbraw/zinc/88/56/75/1333885675.db2.gz LZSGWADGTCVJTN-SFHVURJKSA-N 2 1 343.515 3.075 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[NH+](CCC3CCCCCC3)CC2)CC[N@H+]1C ZINC000949863114 1333947711 /nfs/dbraw/zinc/94/77/11/1333947711.db2.gz WEYDLDGGQYRMBT-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000951628645 1334281340 /nfs/dbraw/zinc/28/13/40/1334281340.db2.gz YEPKHJKMVGBLPP-PMACEKPBSA-N 2 1 347.547 3.118 20 0 EGADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000951749674 1334311105 /nfs/dbraw/zinc/31/11/05/1334311105.db2.gz CMXCRTOLUAIGEB-PXNSSMCTSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc3ncc(Br)cc3c2)C[C@H]1C[NH3+] ZINC001205150833 1370664236 /nfs/dbraw/zinc/66/42/36/1370664236.db2.gz LIJIXOWWBDWUGK-SMDDNHRTSA-N 2 1 334.261 3.024 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCCCC1 ZINC000968782268 1336048718 /nfs/dbraw/zinc/04/87/18/1336048718.db2.gz UWJSSETVBNQPQG-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCCCCC1 ZINC000968782268 1336048720 /nfs/dbraw/zinc/04/87/20/1336048720.db2.gz UWJSSETVBNQPQG-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCCCCC1 ZINC000968782268 1336048722 /nfs/dbraw/zinc/04/87/22/1336048722.db2.gz UWJSSETVBNQPQG-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC=C(C)C)CC[N@H+]1C ZINC000968866169 1336072266 /nfs/dbraw/zinc/07/22/66/1336072266.db2.gz CKHJHVQQBMEMEH-GBESFXJTSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC=C(C)C)CC[NH+]1C ZINC000968866169 1336072268 /nfs/dbraw/zinc/07/22/68/1336072268.db2.gz CKHJHVQQBMEMEH-GBESFXJTSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC=C(C)C)CC[NH+]1C ZINC000968866169 1336072273 /nfs/dbraw/zinc/07/22/73/1336072273.db2.gz CKHJHVQQBMEMEH-GBESFXJTSA-N 2 1 335.536 3.044 20 0 EGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968990512 1336112577 /nfs/dbraw/zinc/11/25/77/1336112577.db2.gz FWQZTCQYFWHVHX-OALUTQOASA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000968990512 1336112580 /nfs/dbraw/zinc/11/25/80/1336112580.db2.gz FWQZTCQYFWHVHX-OALUTQOASA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000968990512 1336112583 /nfs/dbraw/zinc/11/25/83/1336112583.db2.gz FWQZTCQYFWHVHX-OALUTQOASA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000969002665 1336115503 /nfs/dbraw/zinc/11/55/03/1336115503.db2.gz ZMKMMVQWPDIKGM-GBESFXJTSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969002665 1336115504 /nfs/dbraw/zinc/11/55/04/1336115504.db2.gz ZMKMMVQWPDIKGM-GBESFXJTSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969002665 1336115507 /nfs/dbraw/zinc/11/55/07/1336115507.db2.gz ZMKMMVQWPDIKGM-GBESFXJTSA-N 2 1 335.536 3.044 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CCC(C)(C)C)CC1 ZINC000969013964 1336118638 /nfs/dbraw/zinc/11/86/38/1336118638.db2.gz LKBDYZFSDWLJMH-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCCC2CCCC2)C1 ZINC000969144826 1336161010 /nfs/dbraw/zinc/16/10/10/1336161010.db2.gz UUQUSHZRFQTVDF-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CCCC2CCCC2)C1 ZINC000969144826 1336161013 /nfs/dbraw/zinc/16/10/13/1336161013.db2.gz UUQUSHZRFQTVDF-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CCCC2CCCC2)C1 ZINC000969144826 1336161016 /nfs/dbraw/zinc/16/10/16/1336161016.db2.gz UUQUSHZRFQTVDF-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CCC2=CCCCC2)C1 ZINC000969144608 1336161195 /nfs/dbraw/zinc/16/11/95/1336161195.db2.gz PNWAXGJGZNUQNS-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CCC2=CCCCC2)C1 ZINC000969144608 1336161197 /nfs/dbraw/zinc/16/11/97/1336161197.db2.gz PNWAXGJGZNUQNS-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CCC2=CCCCC2)C1 ZINC000969144608 1336161198 /nfs/dbraw/zinc/16/11/98/1336161198.db2.gz PNWAXGJGZNUQNS-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1 ZINC000969156383 1336166058 /nfs/dbraw/zinc/16/60/58/1336166058.db2.gz RKCBZCZQCJJUJV-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CC1 ZINC000969156383 1336166060 /nfs/dbraw/zinc/16/60/60/1336166060.db2.gz RKCBZCZQCJJUJV-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCC1CC1 ZINC000969156383 1336166061 /nfs/dbraw/zinc/16/60/61/1336166061.db2.gz RKCBZCZQCJJUJV-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCCC2)C1 ZINC000969794716 1336248144 /nfs/dbraw/zinc/24/81/44/1336248144.db2.gz ZKRJOKHLWGIOJP-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326285 1336294748 /nfs/dbraw/zinc/29/47/48/1336294748.db2.gz PNGIUSJYSSJMDP-FXAWDEMLSA-N 2 1 347.547 3.186 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001005474243 1336357721 /nfs/dbraw/zinc/35/77/21/1336357721.db2.gz AQPMNXVRCVGDHZ-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001006001432 1336436245 /nfs/dbraw/zinc/43/62/45/1336436245.db2.gz NUCYYWYLTZWEFM-FXAWDEMLSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1CC[NH+](CC2CCCC2)CC1 ZINC001006120386 1336454819 /nfs/dbraw/zinc/45/48/19/1336454819.db2.gz QNHFUMZDFWRLTQ-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001006121045 1336455131 /nfs/dbraw/zinc/45/51/31/1336455131.db2.gz UWCLKIXSCPLTGC-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCc1ccc(Br)cc1 ZINC001205902818 1370904689 /nfs/dbraw/zinc/90/46/89/1370904689.db2.gz LWKKRJGRWMIKOW-DZGCQCFKSA-N 2 1 325.294 3.441 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007458167 1336651037 /nfs/dbraw/zinc/65/10/37/1336651037.db2.gz VLPXXXXTEAUBTB-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001007458167 1336651039 /nfs/dbraw/zinc/65/10/39/1336651039.db2.gz VLPXXXXTEAUBTB-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CC3CCCCC3)C2)C1 ZINC001007495478 1336657512 /nfs/dbraw/zinc/65/75/12/1336657512.db2.gz JURMWEVMCOHUIP-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)C1 ZINC001007495478 1336657515 /nfs/dbraw/zinc/65/75/15/1336657515.db2.gz JURMWEVMCOHUIP-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)C1 ZINC001007495478 1336657518 /nfs/dbraw/zinc/65/75/18/1336657518.db2.gz JURMWEVMCOHUIP-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[NH+](Cc2ccsc2)C1 ZINC001007500320 1336658386 /nfs/dbraw/zinc/65/83/86/1336658386.db2.gz RXZCXBVWPQWUQS-ZWKOTPCHSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001007500320 1336658389 /nfs/dbraw/zinc/65/83/89/1336658389.db2.gz RXZCXBVWPQWUQS-ZWKOTPCHSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC001007500320 1336658391 /nfs/dbraw/zinc/65/83/91/1336658391.db2.gz RXZCXBVWPQWUQS-ZWKOTPCHSA-N 2 1 349.544 3.092 20 0 EGADMP Cc1c(C(=O)N[C@H]2CCC[N@@H+](CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001007721971 1336690874 /nfs/dbraw/zinc/69/08/74/1336690874.db2.gz DCZBTMWJIDULTC-INIZCTEOSA-N 2 1 342.487 3.273 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007746680 1336693620 /nfs/dbraw/zinc/69/36/20/1336693620.db2.gz NZXIYTNNHVQTKQ-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001007746680 1336693624 /nfs/dbraw/zinc/69/36/24/1336693624.db2.gz NZXIYTNNHVQTKQ-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001007746680 1336693625 /nfs/dbraw/zinc/69/36/25/1336693625.db2.gz NZXIYTNNHVQTKQ-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](CCC(C)(C)C)C2)C1 ZINC001008267634 1336810454 /nfs/dbraw/zinc/81/04/54/1336810454.db2.gz BUKKPZFOLWKCMI-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@H+](CCC(C)(C)C)C2)C1 ZINC001008267634 1336810455 /nfs/dbraw/zinc/81/04/55/1336810455.db2.gz BUKKPZFOLWKCMI-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001008267634 1336810456 /nfs/dbraw/zinc/81/04/56/1336810456.db2.gz BUKKPZFOLWKCMI-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008274817 1336811610 /nfs/dbraw/zinc/81/16/10/1336811610.db2.gz GMMFSUBYBJIMJW-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008274817 1336811614 /nfs/dbraw/zinc/81/16/14/1336811614.db2.gz GMMFSUBYBJIMJW-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008274817 1336811617 /nfs/dbraw/zinc/81/16/17/1336811617.db2.gz GMMFSUBYBJIMJW-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001008277206 1336812829 /nfs/dbraw/zinc/81/28/29/1336812829.db2.gz MWTHRVZBORRCBA-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001008277206 1336812832 /nfs/dbraw/zinc/81/28/32/1336812832.db2.gz MWTHRVZBORRCBA-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001008277206 1336812835 /nfs/dbraw/zinc/81/28/35/1336812835.db2.gz MWTHRVZBORRCBA-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008297159 1336817505 /nfs/dbraw/zinc/81/75/05/1336817505.db2.gz BVKZZZONDZJVRL-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008297159 1336817509 /nfs/dbraw/zinc/81/75/09/1336817509.db2.gz BVKZZZONDZJVRL-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008297159 1336817511 /nfs/dbraw/zinc/81/75/11/1336817511.db2.gz BVKZZZONDZJVRL-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC001205996108 1370932955 /nfs/dbraw/zinc/93/29/55/1370932955.db2.gz UURPDAHKVCRVMK-JSGCOSHPSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001008531863 1336876377 /nfs/dbraw/zinc/87/63/77/1336876377.db2.gz MPOKEIQGMZLDCX-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001008531863 1336876379 /nfs/dbraw/zinc/87/63/79/1336876379.db2.gz MPOKEIQGMZLDCX-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001008531863 1336876381 /nfs/dbraw/zinc/87/63/81/1336876381.db2.gz MPOKEIQGMZLDCX-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001008534235 1336877353 /nfs/dbraw/zinc/87/73/53/1336877353.db2.gz WFDCQYDGZAMZKV-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001008534235 1336877356 /nfs/dbraw/zinc/87/73/56/1336877356.db2.gz WFDCQYDGZAMZKV-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001008534235 1336877360 /nfs/dbraw/zinc/87/73/60/1336877360.db2.gz WFDCQYDGZAMZKV-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001008763764 1336922663 /nfs/dbraw/zinc/92/26/63/1336922663.db2.gz ANXRLFKQTCSWSN-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001008763764 1336922667 /nfs/dbraw/zinc/92/26/67/1336922667.db2.gz ANXRLFKQTCSWSN-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001008763764 1336922668 /nfs/dbraw/zinc/92/26/68/1336922668.db2.gz ANXRLFKQTCSWSN-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001009631355 1337049239 /nfs/dbraw/zinc/04/92/39/1337049239.db2.gz AZRXDDMSSQPRNO-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001009631355 1337049243 /nfs/dbraw/zinc/04/92/43/1337049243.db2.gz AZRXDDMSSQPRNO-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001009631355 1337049246 /nfs/dbraw/zinc/04/92/46/1337049246.db2.gz AZRXDDMSSQPRNO-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP COc1cccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1Br ZINC001206640435 1371116125 /nfs/dbraw/zinc/11/61/25/1371116125.db2.gz JRYZRRWTDXUJLN-LBPRGKRZSA-N 2 1 327.266 3.019 20 0 EGADMP COc1cccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1Br ZINC001206640435 1371116129 /nfs/dbraw/zinc/11/61/29/1371116129.db2.gz JRYZRRWTDXUJLN-LBPRGKRZSA-N 2 1 327.266 3.019 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014434469 1337777073 /nfs/dbraw/zinc/77/70/73/1337777073.db2.gz MJRMGJFTPKLFMK-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014434469 1337777076 /nfs/dbraw/zinc/77/70/76/1337777076.db2.gz MJRMGJFTPKLFMK-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014434469 1337777079 /nfs/dbraw/zinc/77/70/79/1337777079.db2.gz MJRMGJFTPKLFMK-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001015053818 1338003362 /nfs/dbraw/zinc/00/33/62/1338003362.db2.gz STYISNAXEQCSPX-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001015053818 1338003365 /nfs/dbraw/zinc/00/33/65/1338003365.db2.gz STYISNAXEQCSPX-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001015053818 1338003369 /nfs/dbraw/zinc/00/33/69/1338003369.db2.gz STYISNAXEQCSPX-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001015056103 1338004296 /nfs/dbraw/zinc/00/42/96/1338004296.db2.gz GOURKUSYQLKSHS-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001015056103 1338004299 /nfs/dbraw/zinc/00/42/99/1338004299.db2.gz GOURKUSYQLKSHS-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001015056103 1338004302 /nfs/dbraw/zinc/00/43/02/1338004302.db2.gz GOURKUSYQLKSHS-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015110539 1338022949 /nfs/dbraw/zinc/02/29/49/1338022949.db2.gz UXHFEBBLJFVQPF-AZUAARDMSA-N 2 1 348.450 3.290 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001015291385 1338086799 /nfs/dbraw/zinc/08/67/99/1338086799.db2.gz QZXBFCHMVRHTLW-LPHOPBHVSA-N 2 1 348.450 3.208 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001015704576 1338269252 /nfs/dbraw/zinc/26/92/52/1338269252.db2.gz CZBXFBZGZBUYGC-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001015704576 1338269257 /nfs/dbraw/zinc/26/92/57/1338269257.db2.gz CZBXFBZGZBUYGC-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001015704576 1338269259 /nfs/dbraw/zinc/26/92/59/1338269259.db2.gz CZBXFBZGZBUYGC-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001015795420 1338314673 /nfs/dbraw/zinc/31/46/73/1338314673.db2.gz OYLLIOJCAXURRA-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001016339911 1338555958 /nfs/dbraw/zinc/55/59/58/1338555958.db2.gz SFXFAZQTTUYLJE-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001016339911 1338555961 /nfs/dbraw/zinc/55/59/61/1338555961.db2.gz SFXFAZQTTUYLJE-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001016339911 1338555964 /nfs/dbraw/zinc/55/59/64/1338555964.db2.gz SFXFAZQTTUYLJE-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016662558 1338683183 /nfs/dbraw/zinc/68/31/83/1338683183.db2.gz KRHMAYVYSYZDMT-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001016689248 1338691482 /nfs/dbraw/zinc/69/14/82/1338691482.db2.gz XKPOYLVAEIWSDK-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001016788525 1338727625 /nfs/dbraw/zinc/72/76/25/1338727625.db2.gz ZPPTZAYYRVKTRU-MOPGFXCFSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001017129110 1338884925 /nfs/dbraw/zinc/88/49/25/1338884925.db2.gz XVQMKPOVMWYCMY-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001017129110 1338884932 /nfs/dbraw/zinc/88/49/32/1338884932.db2.gz XVQMKPOVMWYCMY-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001017129110 1338884938 /nfs/dbraw/zinc/88/49/38/1338884938.db2.gz XVQMKPOVMWYCMY-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001017181177 1338925369 /nfs/dbraw/zinc/92/53/69/1338925369.db2.gz YHVBOWJOZIYCAE-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001017194196 1338939446 /nfs/dbraw/zinc/93/94/46/1338939446.db2.gz QYCQMAHDHVNYIJ-AZUAARDMSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001017194196 1338939450 /nfs/dbraw/zinc/93/94/50/1338939450.db2.gz QYCQMAHDHVNYIJ-AZUAARDMSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001017194196 1338939453 /nfs/dbraw/zinc/93/94/53/1338939453.db2.gz QYCQMAHDHVNYIJ-AZUAARDMSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1)[NH+](C)C ZINC001017202473 1338947686 /nfs/dbraw/zinc/94/76/86/1338947686.db2.gz XTCHGMUALLQFNI-VQTJNVASSA-N 2 1 349.563 3.243 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2cccc(C)c2)C1)[NH+](C)C ZINC001017213421 1338957936 /nfs/dbraw/zinc/95/79/36/1338957936.db2.gz SKRXGXDWHGUGAJ-PMACEKPBSA-N 2 1 345.531 3.006 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CCC2)C1 ZINC001017228932 1338967312 /nfs/dbraw/zinc/96/73/12/1338967312.db2.gz UDBRAOVHRHHUDS-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001017228932 1338967316 /nfs/dbraw/zinc/96/73/16/1338967316.db2.gz UDBRAOVHRHHUDS-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017228932 1338967320 /nfs/dbraw/zinc/96/73/20/1338967320.db2.gz UDBRAOVHRHHUDS-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[N@H+](CCCC)C2 ZINC001018166096 1339520047 /nfs/dbraw/zinc/52/00/47/1339520047.db2.gz PQCBFWVBZMMRKG-CEXWTWQISA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001018166096 1339520050 /nfs/dbraw/zinc/52/00/50/1339520050.db2.gz PQCBFWVBZMMRKG-CEXWTWQISA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001018166096 1339520055 /nfs/dbraw/zinc/52/00/55/1339520055.db2.gz PQCBFWVBZMMRKG-CEXWTWQISA-N 2 1 335.536 3.116 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001018873908 1339741061 /nfs/dbraw/zinc/74/10/61/1339741061.db2.gz ZHNZUZDFVGOTEN-WMZOPIPTSA-N 2 1 346.519 3.167 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCCCC3)C2)CC[N@H+]1C ZINC001018873203 1339741083 /nfs/dbraw/zinc/74/10/83/1339741083.db2.gz OJUMBWZVSPZDEE-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCC2=CCCCC2)CC[N@H+]1C ZINC001028098842 1340425008 /nfs/dbraw/zinc/42/50/08/1340425008.db2.gz WGAVTNDZUUBFFC-IHPCNDPISA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCC2=CCCCC2)CC[NH+]1C ZINC001028098842 1340425009 /nfs/dbraw/zinc/42/50/09/1340425009.db2.gz WGAVTNDZUUBFFC-IHPCNDPISA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCC2=CCCCC2)CC[NH+]1C ZINC001028098842 1340425011 /nfs/dbraw/zinc/42/50/11/1340425011.db2.gz WGAVTNDZUUBFFC-IHPCNDPISA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137307 1340450120 /nfs/dbraw/zinc/45/01/20/1340450120.db2.gz ISADMYKYJYWUJJ-FXAWDEMLSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC(C)(C)C ZINC001028180754 1340471176 /nfs/dbraw/zinc/47/11/76/1340471176.db2.gz FJULJMSYPKZYCK-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001028180754 1340471177 /nfs/dbraw/zinc/47/11/77/1340471177.db2.gz FJULJMSYPKZYCK-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC(C)(C)C ZINC001028180754 1340471179 /nfs/dbraw/zinc/47/11/79/1340471179.db2.gz FJULJMSYPKZYCK-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCC(C)(C)C)CC1 ZINC001028235248 1340497534 /nfs/dbraw/zinc/49/75/34/1340497534.db2.gz SPUSKGXVSUTAEI-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCC2CC2)o1 ZINC001028343521 1340583400 /nfs/dbraw/zinc/58/34/00/1340583400.db2.gz ONOUEHWQCBMEKK-QGZVFWFLSA-N 2 1 347.503 3.116 20 0 EGADMP O=C(NC[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001028594640 1340719739 /nfs/dbraw/zinc/71/97/39/1340719739.db2.gz JKPWZLBHLQQMDU-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001028594640 1340719741 /nfs/dbraw/zinc/71/97/41/1340719741.db2.gz JKPWZLBHLQQMDU-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001028594640 1340719745 /nfs/dbraw/zinc/71/97/45/1340719745.db2.gz JKPWZLBHLQQMDU-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CC[N@@H+](CC2CCC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028756059 1340791259 /nfs/dbraw/zinc/79/12/59/1340791259.db2.gz ZTDYNBQMGVHABO-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CC[NH+](CC2CCC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028756059 1340791260 /nfs/dbraw/zinc/79/12/60/1340791260.db2.gz ZTDYNBQMGVHABO-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CC[NH+](CC2CCC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028756059 1340791263 /nfs/dbraw/zinc/79/12/63/1340791263.db2.gz ZTDYNBQMGVHABO-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001028755563 1340791606 /nfs/dbraw/zinc/79/16/06/1340791606.db2.gz RZWDPELUZFCIGJ-PMACEKPBSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@H+](CCC3CCCC3)C2)C1 ZINC001028755563 1340791611 /nfs/dbraw/zinc/79/16/11/1340791611.db2.gz RZWDPELUZFCIGJ-PMACEKPBSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001028755563 1340791614 /nfs/dbraw/zinc/79/16/14/1340791614.db2.gz RZWDPELUZFCIGJ-PMACEKPBSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755241 1340791996 /nfs/dbraw/zinc/79/19/96/1340791996.db2.gz JTENJLQYQKFKNI-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755241 1340791997 /nfs/dbraw/zinc/79/19/97/1340791997.db2.gz JTENJLQYQKFKNI-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755241 1340791998 /nfs/dbraw/zinc/79/19/98/1340791998.db2.gz JTENJLQYQKFKNI-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+](CC3=CCCCC3)C2)C1 ZINC001028757963 1340793341 /nfs/dbraw/zinc/79/33/41/1340793341.db2.gz CIOVSEZKPVMPMP-UXHICEINSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001028757963 1340793344 /nfs/dbraw/zinc/79/33/44/1340793344.db2.gz CIOVSEZKPVMPMP-UXHICEINSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001028757963 1340793347 /nfs/dbraw/zinc/79/33/47/1340793347.db2.gz CIOVSEZKPVMPMP-UXHICEINSA-N 2 1 347.547 3.047 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC([C@H](C)[NH2+]CC2CC2)CC1 ZINC001029100485 1340929969 /nfs/dbraw/zinc/92/99/69/1340929969.db2.gz ACNLHBNSOUHDOS-CVEARBPZSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001029111540 1340932375 /nfs/dbraw/zinc/93/23/75/1340932375.db2.gz JVLVNMUGYVKRJS-VQIMIIECSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1 ZINC001029154794 1340944743 /nfs/dbraw/zinc/94/47/43/1340944743.db2.gz PRZKTMKOZNKLFK-PXNSSMCTSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001029169178 1340947554 /nfs/dbraw/zinc/94/75/54/1340947554.db2.gz BZBQQJBBLPHUPE-XLIONFOSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001029306041 1340969706 /nfs/dbraw/zinc/96/97/06/1340969706.db2.gz FFLMWPLKGYKHJG-ZCNNSNEGSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001029306041 1340969707 /nfs/dbraw/zinc/96/97/07/1340969707.db2.gz FFLMWPLKGYKHJG-ZCNNSNEGSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001029306041 1340969708 /nfs/dbraw/zinc/96/97/08/1340969708.db2.gz FFLMWPLKGYKHJG-ZCNNSNEGSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001029339182 1340974022 /nfs/dbraw/zinc/97/40/22/1340974022.db2.gz TUWVMFHDOXBWAQ-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001029339182 1340974024 /nfs/dbraw/zinc/97/40/24/1340974024.db2.gz TUWVMFHDOXBWAQ-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001029339182 1340974026 /nfs/dbraw/zinc/97/40/26/1340974026.db2.gz TUWVMFHDOXBWAQ-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001029595597 1341018590 /nfs/dbraw/zinc/01/85/90/1341018590.db2.gz NFQUVUHHOJFSKU-LFGUQSLTSA-N 2 1 347.547 3.115 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001029759067 1341064500 /nfs/dbraw/zinc/06/45/00/1341064500.db2.gz KPLWBSQEBZNFEU-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001029759067 1341064503 /nfs/dbraw/zinc/06/45/03/1341064503.db2.gz KPLWBSQEBZNFEU-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001029759067 1341064504 /nfs/dbraw/zinc/06/45/04/1341064504.db2.gz KPLWBSQEBZNFEU-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)CC3CCCC3)C2)CC1 ZINC001029880785 1341102572 /nfs/dbraw/zinc/10/25/72/1341102572.db2.gz MBQGQLRPFDQBOW-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C(=O)N1CCC(C[N@@H+](C)[C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001029972623 1341139606 /nfs/dbraw/zinc/13/96/06/1341139606.db2.gz KYJNCBKHQGSQTA-FXAWDEMLSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@H]1CCC[C@@H](CC[NH+]2CC(NC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001030313196 1341177977 /nfs/dbraw/zinc/17/79/77/1341177977.db2.gz RNOPBWYTKNUBFW-ROUUACIJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NC1C[NH+](CC2CCC(C(C)(C)C)CC2)C1 ZINC001030956091 1341255605 /nfs/dbraw/zinc/25/56/05/1341255605.db2.gz SACPFOHDGRLXFN-AOCRQIFASA-N 2 1 349.563 3.124 20 0 EGADMP O=C(NCC1C[NH+](CCCC2CCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001031730546 1341394586 /nfs/dbraw/zinc/39/45/86/1341394586.db2.gz QODJAAUEJMHZHE-HXUWFJFHSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](CCC3CCCCC3)C2)C1 ZINC001031917105 1341421631 /nfs/dbraw/zinc/42/16/31/1341421631.db2.gz NSELXACQTOZYSW-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCC1)[NH+]1CCCCCC1 ZINC001032664546 1341576051 /nfs/dbraw/zinc/57/60/51/1341576051.db2.gz HJOPLDCJVGSOKB-IHPCNDPISA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033070970 1341715529 /nfs/dbraw/zinc/71/55/29/1341715529.db2.gz UVJJJTAMCTXZJH-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033070970 1341715531 /nfs/dbraw/zinc/71/55/31/1341715531.db2.gz UVJJJTAMCTXZJH-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033070970 1341715532 /nfs/dbraw/zinc/71/55/32/1341715532.db2.gz UVJJJTAMCTXZJH-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033074494 1341716250 /nfs/dbraw/zinc/71/62/50/1341716250.db2.gz ANZKAMULRIKZFM-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001033075239 1341716913 /nfs/dbraw/zinc/71/69/13/1341716913.db2.gz DOFCMUUWOKHCGY-KRWDZBQOSA-N 2 1 349.544 3.045 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001033075239 1341716914 /nfs/dbraw/zinc/71/69/14/1341716914.db2.gz DOFCMUUWOKHCGY-KRWDZBQOSA-N 2 1 349.544 3.045 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001033350362 1341791548 /nfs/dbraw/zinc/79/15/48/1341791548.db2.gz AGOPPUQMPHIRJR-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCC3CCCC3)C2)C1 ZINC001033350362 1341791549 /nfs/dbraw/zinc/79/15/49/1341791549.db2.gz AGOPPUQMPHIRJR-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001033350362 1341791550 /nfs/dbraw/zinc/79/15/50/1341791550.db2.gz AGOPPUQMPHIRJR-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365136 1341797197 /nfs/dbraw/zinc/79/71/97/1341797197.db2.gz LIFFCENVDVSCPD-RTBURBONSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365136 1341797199 /nfs/dbraw/zinc/79/71/99/1341797199.db2.gz LIFFCENVDVSCPD-RTBURBONSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365136 1341797201 /nfs/dbraw/zinc/79/72/01/1341797201.db2.gz LIFFCENVDVSCPD-RTBURBONSA-N 2 1 335.536 3.116 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033686694 1341951957 /nfs/dbraw/zinc/95/19/57/1341951957.db2.gz RLYPZLQAMRTORH-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033686694 1341951963 /nfs/dbraw/zinc/95/19/63/1341951963.db2.gz RLYPZLQAMRTORH-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033686694 1341951965 /nfs/dbraw/zinc/95/19/65/1341951965.db2.gz RLYPZLQAMRTORH-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033699746 1341966453 /nfs/dbraw/zinc/96/64/53/1341966453.db2.gz PQXDBONNXDIMGS-IAGOWNOFSA-N 2 1 349.519 3.314 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033826369 1342027764 /nfs/dbraw/zinc/02/77/64/1342027764.db2.gz OXQUXPNRLGXGSC-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033826369 1342027767 /nfs/dbraw/zinc/02/77/67/1342027767.db2.gz OXQUXPNRLGXGSC-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033826369 1342027770 /nfs/dbraw/zinc/02/77/70/1342027770.db2.gz OXQUXPNRLGXGSC-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CC3CC(C)(C)C3)C2)CC[N@H+]1C ZINC001033834293 1342033963 /nfs/dbraw/zinc/03/39/63/1342033963.db2.gz FLGMVQSPGAZRJH-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@H+](CC3CC(C)(C)C3)C2)CC[NH+]1C ZINC001033834293 1342033965 /nfs/dbraw/zinc/03/39/65/1342033965.db2.gz FLGMVQSPGAZRJH-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)CC[NH+]1C ZINC001033834293 1342033968 /nfs/dbraw/zinc/03/39/68/1342033968.db2.gz FLGMVQSPGAZRJH-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033836093 1342034899 /nfs/dbraw/zinc/03/48/99/1342034899.db2.gz LFIQQYFQJBBCER-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033836093 1342034902 /nfs/dbraw/zinc/03/49/02/1342034902.db2.gz LFIQQYFQJBBCER-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033836093 1342034906 /nfs/dbraw/zinc/03/49/06/1342034906.db2.gz LFIQQYFQJBBCER-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033836095 1342035006 /nfs/dbraw/zinc/03/50/06/1342035006.db2.gz LFIQQYFQJBBCER-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033836095 1342035010 /nfs/dbraw/zinc/03/50/10/1342035010.db2.gz LFIQQYFQJBBCER-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033836095 1342035013 /nfs/dbraw/zinc/03/50/13/1342035013.db2.gz LFIQQYFQJBBCER-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033880662 1342057357 /nfs/dbraw/zinc/05/73/57/1342057357.db2.gz YUBGYOOCAVFONL-CRAIPNDOSA-N 2 1 342.487 3.225 20 0 EGADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033897897 1342069338 /nfs/dbraw/zinc/06/93/38/1342069338.db2.gz NIHBJSGDPZHGKN-IBGZPJMESA-N 2 1 340.471 3.061 20 0 EGADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033941884 1342103306 /nfs/dbraw/zinc/10/33/06/1342103306.db2.gz UIDWMYBVXUCDIJ-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](CC2CCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001034248432 1342346185 /nfs/dbraw/zinc/34/61/85/1342346185.db2.gz CAACQJCWVOKECY-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCCC[NH+](CC2CCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001034248432 1342346189 /nfs/dbraw/zinc/34/61/89/1342346189.db2.gz CAACQJCWVOKECY-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCCC[NH+](CC2CCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001034248432 1342346194 /nfs/dbraw/zinc/34/61/94/1342346194.db2.gz CAACQJCWVOKECY-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCCCC3)C2)CC[N@H+]1C ZINC001034370003 1342439530 /nfs/dbraw/zinc/43/95/30/1342439530.db2.gz ITRSRDYKYPORCD-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CC3CCCCC3)C2)CC[NH+]1C ZINC001034370003 1342439533 /nfs/dbraw/zinc/43/95/33/1342439533.db2.gz ITRSRDYKYPORCD-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CC3CCCCC3)C2)CC[NH+]1C ZINC001034370003 1342439535 /nfs/dbraw/zinc/43/95/35/1342439535.db2.gz ITRSRDYKYPORCD-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC001034426310 1342488878 /nfs/dbraw/zinc/48/88/78/1342488878.db2.gz KVRGZLBDGRGPAB-KRWDZBQOSA-N 2 1 348.535 3.413 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](CCC(C)(C)C)C1 ZINC001034426310 1342488879 /nfs/dbraw/zinc/48/88/79/1342488879.db2.gz KVRGZLBDGRGPAB-KRWDZBQOSA-N 2 1 348.535 3.413 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001034430414 1342492161 /nfs/dbraw/zinc/49/21/61/1342492161.db2.gz DXRAIUMAORNQMT-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CCCC[N@@H+](CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001034437034 1342498771 /nfs/dbraw/zinc/49/87/71/1342498771.db2.gz CUNKFBDUOXWBMS-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](CC3CCC3)C2)cc1 ZINC001034443880 1342504008 /nfs/dbraw/zinc/50/40/08/1342504008.db2.gz ASFKHVJZBIBZPR-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@@H+](CC2CCCCCC2)C1 ZINC001034528752 1342586067 /nfs/dbraw/zinc/58/60/67/1342586067.db2.gz QECWYYIIZIVZHV-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001034663210 1342677422 /nfs/dbraw/zinc/67/74/22/1342677422.db2.gz PSMJMLFGZUDLNY-BJLQDIEVSA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1 ZINC001034662377 1342677485 /nfs/dbraw/zinc/67/74/85/1342677485.db2.gz GJHLVGPLJXKONS-GUDVDZBRSA-N 2 1 335.536 3.066 20 0 EGADMP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001034714383 1342710401 /nfs/dbraw/zinc/71/04/01/1342710401.db2.gz ATPVKGWNORHXAE-QWFCFKBJSA-N 2 1 349.563 3.457 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1 ZINC001034736774 1342729313 /nfs/dbraw/zinc/72/93/13/1342729313.db2.gz BVCUCQKKXDSIDS-VBSBHUPXSA-N 2 1 347.547 3.092 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001034795826 1342762358 /nfs/dbraw/zinc/76/23/58/1342762358.db2.gz UQLKSHBVKUJTSB-BZSNNMDCSA-N 2 1 349.544 3.140 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCC2)C1 ZINC001035022651 1342882203 /nfs/dbraw/zinc/88/22/03/1342882203.db2.gz IIPCWMIKVBRQKL-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)CC2 ZINC001035193997 1343007319 /nfs/dbraw/zinc/00/73/19/1343007319.db2.gz RYKIQKZLSSRXQG-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CC2 ZINC001035193997 1343007321 /nfs/dbraw/zinc/00/73/21/1343007321.db2.gz RYKIQKZLSSRXQG-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)CC2 ZINC001035193997 1343007323 /nfs/dbraw/zinc/00/73/23/1343007323.db2.gz RYKIQKZLSSRXQG-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)CC2 ZINC001035193523 1343007606 /nfs/dbraw/zinc/00/76/06/1343007606.db2.gz FJDADPXURVPGEL-LJQANCHMSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CC2 ZINC001035193523 1343007611 /nfs/dbraw/zinc/00/76/11/1343007611.db2.gz FJDADPXURVPGEL-LJQANCHMSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)CC2 ZINC001035193523 1343007615 /nfs/dbraw/zinc/00/76/15/1343007615.db2.gz FJDADPXURVPGEL-LJQANCHMSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035196830 1343009182 /nfs/dbraw/zinc/00/91/82/1343009182.db2.gz DPNAGRLRIHDUAS-RTBURBONSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC001035196830 1343009184 /nfs/dbraw/zinc/00/91/84/1343009184.db2.gz DPNAGRLRIHDUAS-RTBURBONSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035196830 1343009192 /nfs/dbraw/zinc/00/91/92/1343009192.db2.gz DPNAGRLRIHDUAS-RTBURBONSA-N 2 1 347.547 3.118 20 0 EGADMP CC[C@H](C(=O)N1CCC2(CC[N@@H+](CCC(C)(C)C)C2)CC1)[NH+](C)C ZINC001035196933 1343010890 /nfs/dbraw/zinc/01/08/90/1343010890.db2.gz HGHTUQQCOYRIRW-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)CC2 ZINC001035259682 1343086731 /nfs/dbraw/zinc/08/67/31/1343086731.db2.gz CMNTZJIMRZYKMH-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)CC2 ZINC001035772460 1343184772 /nfs/dbraw/zinc/18/47/72/1343184772.db2.gz BZDNHSJRZZDDSF-IBGZPJMESA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035858740 1343234854 /nfs/dbraw/zinc/23/48/54/1343234854.db2.gz YPKQDSOHKYYMCQ-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001036097009 1343311915 /nfs/dbraw/zinc/31/19/15/1343311915.db2.gz QXBYLQIYSFPLJR-LPHOPBHVSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CC1CC1 ZINC001036581654 1343564479 /nfs/dbraw/zinc/56/44/79/1343564479.db2.gz VLQZFAWWOOOSJY-WMZOPIPTSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001037087080 1343971870 /nfs/dbraw/zinc/97/18/70/1343971870.db2.gz POVXGGHSPSHYAP-QZTJIDSGSA-N 2 1 346.519 3.071 20 0 EGADMP CC[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001037861356 1344146487 /nfs/dbraw/zinc/14/64/87/1344146487.db2.gz QXZIMVCYFTXOQI-PKOBYXMFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCC1 ZINC001038777804 1344581442 /nfs/dbraw/zinc/58/14/42/1344581442.db2.gz CFMGRYQZJBATGM-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001038777804 1344581446 /nfs/dbraw/zinc/58/14/46/1344581446.db2.gz CFMGRYQZJBATGM-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001038777804 1344581449 /nfs/dbraw/zinc/58/14/49/1344581449.db2.gz CFMGRYQZJBATGM-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039136967 1344815834 /nfs/dbraw/zinc/81/58/34/1344815834.db2.gz LEVHQOVWEZTBQA-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039166855 1344852778 /nfs/dbraw/zinc/85/27/78/1344852778.db2.gz GOESQJNDKFSDLQ-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039226309 1344944244 /nfs/dbraw/zinc/94/42/44/1344944244.db2.gz WEDBGZFEMFPTPO-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241781 1344967916 /nfs/dbraw/zinc/96/79/16/1344967916.db2.gz IIWPGSWOIOZVCT-WOJBJXKFSA-N 2 1 349.563 3.366 20 0 EGADMP CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001039492395 1345112273 /nfs/dbraw/zinc/11/22/73/1345112273.db2.gz KXGDKVQVACYMHR-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040282988 1345410387 /nfs/dbraw/zinc/41/03/87/1345410387.db2.gz YSEZCLBYXKDIJG-FQEVSTJZSA-N 2 1 340.471 3.063 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CC=C(C)C)C2 ZINC001040545820 1345540144 /nfs/dbraw/zinc/54/01/44/1345540144.db2.gz VDPNZMSPYICEHF-CTNGQTDRSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC=C(C)C)C2 ZINC001040545820 1345540148 /nfs/dbraw/zinc/54/01/48/1345540148.db2.gz VDPNZMSPYICEHF-CTNGQTDRSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC=C(C)C)C2 ZINC001040545820 1345540150 /nfs/dbraw/zinc/54/01/50/1345540150.db2.gz VDPNZMSPYICEHF-CTNGQTDRSA-N 2 1 347.547 3.142 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040726109 1345571341 /nfs/dbraw/zinc/57/13/41/1345571341.db2.gz IUUVSONDWYMCQH-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)=CC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040733280 1345572386 /nfs/dbraw/zinc/57/23/86/1345572386.db2.gz RFIJMCPOHWAXGH-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CCC3CCCC3)C2)C1)[NH+](C)C ZINC001041378089 1345712795 /nfs/dbraw/zinc/71/27/95/1345712795.db2.gz GZTUKALBZIRVMC-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041726514 1345833585 /nfs/dbraw/zinc/83/35/85/1345833585.db2.gz ZNWXXCTVWLXZJQ-TZIWHRDSSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041769409 1345844018 /nfs/dbraw/zinc/84/40/18/1345844018.db2.gz OMCOTIXGZWRAJZ-NQIIRXRSSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782022 1345847948 /nfs/dbraw/zinc/84/79/48/1345847948.db2.gz OSRZWEJIDXTYFI-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782022 1345847949 /nfs/dbraw/zinc/84/79/49/1345847949.db2.gz OSRZWEJIDXTYFI-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782022 1345847950 /nfs/dbraw/zinc/84/79/50/1345847950.db2.gz OSRZWEJIDXTYFI-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782021 1345847979 /nfs/dbraw/zinc/84/79/79/1345847979.db2.gz OSRZWEJIDXTYFI-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782021 1345847980 /nfs/dbraw/zinc/84/79/80/1345847980.db2.gz OSRZWEJIDXTYFI-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782021 1345847981 /nfs/dbraw/zinc/84/79/81/1345847981.db2.gz OSRZWEJIDXTYFI-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845930 1345871622 /nfs/dbraw/zinc/87/16/22/1345871622.db2.gz SJVNWCNKUOKIJT-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042254251 1346007061 /nfs/dbraw/zinc/00/70/61/1346007061.db2.gz JOOODYQSCWDYJO-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042268259 1346013439 /nfs/dbraw/zinc/01/34/39/1346013439.db2.gz BMEBVPGWQUIADO-UYAOXDASSA-N 2 1 343.515 3.085 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001044005702 1346232488 /nfs/dbraw/zinc/23/24/88/1346232488.db2.gz ZBVXDHPFKVZUHD-FQEVSTJZSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001044745778 1346418966 /nfs/dbraw/zinc/41/89/66/1346418966.db2.gz ZQZVRRPHELHEII-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)C[C@H]1C ZINC001044759922 1346422627 /nfs/dbraw/zinc/42/26/27/1346422627.db2.gz MWXJXUXCKMHCAM-AEFFLSMTSA-N 2 1 346.519 3.166 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1csc(C)c1 ZINC001045061140 1346488249 /nfs/dbraw/zinc/48/82/49/1346488249.db2.gz UDLVARYFZDQDAT-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CC[C@H]2CCC[N@@H+]2C)cs1 ZINC001045076296 1346490414 /nfs/dbraw/zinc/49/04/14/1346490414.db2.gz RBBRQRWKPLXOHM-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001045390145 1346580572 /nfs/dbraw/zinc/58/05/72/1346580572.db2.gz ORVNDXCNNRCYBH-RTBURBONSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001045390143 1346580671 /nfs/dbraw/zinc/58/06/71/1346580671.db2.gz ORVNDXCNNRCYBH-RBUKOAKNSA-N 2 1 343.515 3.203 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001045732157 1346681754 /nfs/dbraw/zinc/68/17/54/1346681754.db2.gz PWIMFIVTEQCZIA-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC001045732157 1346681755 /nfs/dbraw/zinc/68/17/55/1346681755.db2.gz PWIMFIVTEQCZIA-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001045732157 1346681759 /nfs/dbraw/zinc/68/17/59/1346681759.db2.gz PWIMFIVTEQCZIA-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)[NH+]1CCCCCC1 ZINC001045858253 1346723261 /nfs/dbraw/zinc/72/32/61/1346723261.db2.gz GMYWPRVYHUZROJ-SXLOBPIMSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943494 1346779192 /nfs/dbraw/zinc/77/91/92/1346779192.db2.gz JIWDLAUUAWEQBF-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@]2(CC[NH+](C(C)C)C2)C1 ZINC001045949747 1346785079 /nfs/dbraw/zinc/78/50/79/1346785079.db2.gz ONMZFDVRQADTEC-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001045949747 1346785081 /nfs/dbraw/zinc/78/50/81/1346785081.db2.gz ONMZFDVRQADTEC-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001045949747 1346785082 /nfs/dbraw/zinc/78/50/82/1346785082.db2.gz ONMZFDVRQADTEC-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001045985579 1346826371 /nfs/dbraw/zinc/82/63/71/1346826371.db2.gz XBLNKGOPLQLYOJ-NRFANRHFSA-N 2 1 343.515 3.086 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](CCC3CCCC3)C2)C1 ZINC001046368449 1346952159 /nfs/dbraw/zinc/95/21/59/1346952159.db2.gz CHGLKZGSSSEBIB-TZIWHRDSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCC3CCCC3)C2)C1 ZINC001046368449 1346952160 /nfs/dbraw/zinc/95/21/60/1346952160.db2.gz CHGLKZGSSSEBIB-TZIWHRDSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001046368449 1346952161 /nfs/dbraw/zinc/95/21/61/1346952161.db2.gz CHGLKZGSSSEBIB-TZIWHRDSSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@](C)(NC(=O)c3ccn4c[nH+]cc4c3)C2)cc1 ZINC001046453712 1346980182 /nfs/dbraw/zinc/98/01/82/1346980182.db2.gz IZADBMXFCDUDQC-OAQYLSRUSA-N 2 1 348.450 3.037 20 0 EGADMP CC(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001047225663 1347256830 /nfs/dbraw/zinc/25/68/30/1347256830.db2.gz GYLCCQZNBYKUHB-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001047243283 1347269415 /nfs/dbraw/zinc/26/94/15/1347269415.db2.gz JINRVEWBVUSDFQ-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001047244093 1347270122 /nfs/dbraw/zinc/27/01/22/1347270122.db2.gz PLSNZCKFSVPRJW-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001047255426 1347279074 /nfs/dbraw/zinc/27/90/74/1347279074.db2.gz ZPFIGLNEYBFYBQ-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001079698378 1357350893 /nfs/dbraw/zinc/35/08/93/1357350893.db2.gz ZGJZSSOASPRDJY-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CC1CCCCCC1 ZINC001048282327 1347509245 /nfs/dbraw/zinc/50/92/45/1347509245.db2.gz ZXKGNOSPVISHLE-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)C)CC[N@H+]1C ZINC001048529430 1347579072 /nfs/dbraw/zinc/57/90/72/1347579072.db2.gz POPOYBXZAPDYRH-LJDSDSDDSA-N 2 1 349.563 3.122 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)C)CC[NH+]1C ZINC001048529430 1347579074 /nfs/dbraw/zinc/57/90/74/1347579074.db2.gz POPOYBXZAPDYRH-LJDSDSDDSA-N 2 1 349.563 3.122 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)C)CC[NH+]1C ZINC001048529430 1347579075 /nfs/dbraw/zinc/57/90/75/1347579075.db2.gz POPOYBXZAPDYRH-LJDSDSDDSA-N 2 1 349.563 3.122 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001048538471 1347583527 /nfs/dbraw/zinc/58/35/27/1347583527.db2.gz WFGMACOXCXVAAC-FCGDIQPGSA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001048538471 1347583530 /nfs/dbraw/zinc/58/35/30/1347583530.db2.gz WFGMACOXCXVAAC-FCGDIQPGSA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001048538471 1347583533 /nfs/dbraw/zinc/58/35/33/1347583533.db2.gz WFGMACOXCXVAAC-FCGDIQPGSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001048607545 1347617180 /nfs/dbraw/zinc/61/71/80/1347617180.db2.gz WBYPRPBKFKUJQX-GUDVDZBRSA-N 2 1 349.563 3.173 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H](C)CC)C[C@@H]2C1 ZINC001049165297 1347737662 /nfs/dbraw/zinc/73/76/62/1347737662.db2.gz LWNPFTQDXQYRRL-VNTMZGSJSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)CC)C[C@@H]2C1 ZINC001049165297 1347737663 /nfs/dbraw/zinc/73/76/63/1347737663.db2.gz LWNPFTQDXQYRRL-VNTMZGSJSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)CC)C[C@@H]2C1 ZINC001049165297 1347737664 /nfs/dbraw/zinc/73/76/64/1347737664.db2.gz LWNPFTQDXQYRRL-VNTMZGSJSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCC1)[NH+]1CCCCC1 ZINC001049476181 1347867340 /nfs/dbraw/zinc/86/73/40/1347867340.db2.gz CSAHPJBURPPMBK-MOPGFXCFSA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049533032 1347895022 /nfs/dbraw/zinc/89/50/22/1347895022.db2.gz LXFODVMGRSRKIJ-FHWLQOOXSA-N 2 1 337.552 3.074 20 0 EGADMP CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCC1)[NH+]1CCCC1 ZINC001049630616 1347943981 /nfs/dbraw/zinc/94/39/81/1347943981.db2.gz RPZTZXHBNKGCQJ-OALUTQOASA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1=CCCCC1 ZINC001049656096 1347958333 /nfs/dbraw/zinc/95/83/33/1347958333.db2.gz VKBXWNUTGJXCQM-AQNXPRMDSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1=CCCCC1 ZINC001049656096 1347958334 /nfs/dbraw/zinc/95/83/34/1347958334.db2.gz VKBXWNUTGJXCQM-AQNXPRMDSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1=CCCCC1 ZINC001049656096 1347958338 /nfs/dbraw/zinc/95/83/38/1347958338.db2.gz VKBXWNUTGJXCQM-AQNXPRMDSA-N 2 1 345.531 3.036 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCCCC1)[NH+](C)C ZINC001049727563 1347991350 /nfs/dbraw/zinc/99/13/50/1347991350.db2.gz KEUHZGLOSNRYPS-XUVXKRRUSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806979 1348028912 /nfs/dbraw/zinc/02/89/12/1348028912.db2.gz QIQFBDXDTBQXTD-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820648 1348037495 /nfs/dbraw/zinc/03/74/95/1348037495.db2.gz LPTJMHHISLIPEY-IHPCNDPISA-N 2 1 349.563 3.218 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC001049922144 1348114087 /nfs/dbraw/zinc/11/40/87/1348114087.db2.gz YEIICCXGGUOYJS-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCC1 ZINC001049922144 1348114089 /nfs/dbraw/zinc/11/40/89/1348114089.db2.gz YEIICCXGGUOYJS-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCC1 ZINC001049922144 1348114092 /nfs/dbraw/zinc/11/40/92/1348114092.db2.gz YEIICCXGGUOYJS-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CC(C)C2)CC1 ZINC001050325445 1348228186 /nfs/dbraw/zinc/22/81/86/1348228186.db2.gz DTAZRNYCPIWDRK-TZCBXBLLSA-N 2 1 349.563 3.170 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCCC3)CC2)CC[N@H+]1C ZINC001050329289 1348228659 /nfs/dbraw/zinc/22/86/59/1348228659.db2.gz RGYTZOBPUHDSOX-VBSBHUPXSA-N 2 1 349.563 3.172 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001050550265 1348287874 /nfs/dbraw/zinc/28/78/74/1348287874.db2.gz JFXHVQVXUGMKKB-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001050577467 1348292819 /nfs/dbraw/zinc/29/28/19/1348292819.db2.gz QUZBEJXUYHOLFW-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCC2CC2)CC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001052447375 1348543887 /nfs/dbraw/zinc/54/38/87/1348543887.db2.gz CUEKYQKOUXTPLM-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CCC2CC2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001052447375 1348543888 /nfs/dbraw/zinc/54/38/88/1348543888.db2.gz CUEKYQKOUXTPLM-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CCC2CC2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001052447375 1348543890 /nfs/dbraw/zinc/54/38/90/1348543890.db2.gz CUEKYQKOUXTPLM-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001052498671 1348559635 /nfs/dbraw/zinc/55/96/35/1348559635.db2.gz JFFHMTUUEXANDW-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001052498671 1348559637 /nfs/dbraw/zinc/55/96/37/1348559637.db2.gz JFFHMTUUEXANDW-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001052498671 1348559639 /nfs/dbraw/zinc/55/96/39/1348559639.db2.gz JFFHMTUUEXANDW-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC001052563241 1348580371 /nfs/dbraw/zinc/58/03/71/1348580371.db2.gz LKXGOJFWJSGTFB-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001052563241 1348580372 /nfs/dbraw/zinc/58/03/72/1348580372.db2.gz LKXGOJFWJSGTFB-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001052711896 1348644748 /nfs/dbraw/zinc/64/47/48/1348644748.db2.gz ATNZUSPKBYAWRO-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001052711896 1348644750 /nfs/dbraw/zinc/64/47/50/1348644750.db2.gz ATNZUSPKBYAWRO-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001052711896 1348644752 /nfs/dbraw/zinc/64/47/52/1348644752.db2.gz ATNZUSPKBYAWRO-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001052713543 1348645951 /nfs/dbraw/zinc/64/59/51/1348645951.db2.gz ZQJJYDKWYNCXCQ-QUCCMNQESA-N 2 1 347.547 3.189 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCC3=CCCCC3)CC2)C1 ZINC001052713543 1348645953 /nfs/dbraw/zinc/64/59/53/1348645953.db2.gz ZQJJYDKWYNCXCQ-QUCCMNQESA-N 2 1 347.547 3.189 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCC3=CCCCC3)CC2)C1 ZINC001052713543 1348645955 /nfs/dbraw/zinc/64/59/55/1348645955.db2.gz ZQJJYDKWYNCXCQ-QUCCMNQESA-N 2 1 347.547 3.189 20 0 EGADMP CC1(C)CC(C[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001052717763 1348647035 /nfs/dbraw/zinc/64/70/35/1348647035.db2.gz ZDZJXJAOKDKPEP-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC(C[NH+]2CCC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001052717763 1348647038 /nfs/dbraw/zinc/64/70/38/1348647038.db2.gz ZDZJXJAOKDKPEP-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC(C[NH+]2CCC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001052717763 1348647040 /nfs/dbraw/zinc/64/70/40/1348647040.db2.gz ZDZJXJAOKDKPEP-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052757012 1348666262 /nfs/dbraw/zinc/66/62/62/1348666262.db2.gz KMGUNDZOGPCSDQ-SJORKVTESA-N 2 1 334.508 3.023 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052757012 1348666266 /nfs/dbraw/zinc/66/62/66/1348666266.db2.gz KMGUNDZOGPCSDQ-SJORKVTESA-N 2 1 334.508 3.023 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@@H+](CCC3CCCC3)CC2)CC1 ZINC001052767166 1348671096 /nfs/dbraw/zinc/67/10/96/1348671096.db2.gz SYDBPPVERYSWFR-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052837772 1348695728 /nfs/dbraw/zinc/69/57/28/1348695728.db2.gz VUIUKUCOQCILRX-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052953713 1348768722 /nfs/dbraw/zinc/76/87/22/1348768722.db2.gz GQRFZYWVWQKVAE-LJQANCHMSA-N 2 1 331.504 3.133 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052955579 1348769565 /nfs/dbraw/zinc/76/95/65/1348769565.db2.gz HPLMZCNCXQHXPE-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC001052955579 1348769569 /nfs/dbraw/zinc/76/95/69/1348769569.db2.gz HPLMZCNCXQHXPE-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001052955579 1348769573 /nfs/dbraw/zinc/76/95/73/1348769573.db2.gz HPLMZCNCXQHXPE-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@H](F)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052959882 1348772829 /nfs/dbraw/zinc/77/28/29/1348772829.db2.gz ZNMSWKRTUPGAHX-ZWKOTPCHSA-N 2 1 349.494 3.081 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC3CC3)CC2)o1 ZINC001052967394 1348778620 /nfs/dbraw/zinc/77/86/20/1348778620.db2.gz HGMICIKHNHUGPV-QGZVFWFLSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C)=CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCC(C)C)CC1 ZINC001052983778 1348788871 /nfs/dbraw/zinc/78/88/71/1348788871.db2.gz FCFAGOJRNIQLJY-BGYRXZFFSA-N 2 1 347.547 3.138 20 0 EGADMP CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001053029104 1348828257 /nfs/dbraw/zinc/82/82/57/1348828257.db2.gz YNQGTNNCPTXINN-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053046358 1348848583 /nfs/dbraw/zinc/84/85/83/1348848583.db2.gz JMWMHTDLLIDSHC-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053105590 1348943545 /nfs/dbraw/zinc/94/35/45/1348943545.db2.gz PYDMZEMHILSREH-PMACEKPBSA-N 2 1 349.563 3.366 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001054153479 1349157275 /nfs/dbraw/zinc/15/72/75/1349157275.db2.gz RMZHKRCBEUTBNA-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001054153479 1349157277 /nfs/dbraw/zinc/15/72/77/1349157277.db2.gz RMZHKRCBEUTBNA-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001054153479 1349157279 /nfs/dbraw/zinc/15/72/79/1349157279.db2.gz RMZHKRCBEUTBNA-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC3=CCCCC3)C2)C1)[NH+](C)C ZINC001054154991 1349157973 /nfs/dbraw/zinc/15/79/73/1349157973.db2.gz ZNRJFMFEKZDGAQ-CTNGQTDRSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209050 1349210301 /nfs/dbraw/zinc/21/03/01/1349210301.db2.gz HHWAKQMHFCMHHA-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209050 1349210306 /nfs/dbraw/zinc/21/03/06/1349210306.db2.gz HHWAKQMHFCMHHA-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001054209050 1349210309 /nfs/dbraw/zinc/21/03/09/1349210309.db2.gz HHWAKQMHFCMHHA-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219129 1349216181 /nfs/dbraw/zinc/21/61/81/1349216181.db2.gz HRLZICCNDASHTL-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245204 1349238299 /nfs/dbraw/zinc/23/82/99/1349238299.db2.gz PSYANUNTUDZUDY-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1Cc2ccc(CNC(=O)c3ccccc3C[NH+](C)C)cc2C1 ZINC001054292481 1349298677 /nfs/dbraw/zinc/29/86/77/1349298677.db2.gz HJYRKQVMKQTNGZ-UHFFFAOYSA-N 2 1 337.467 3.014 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(Br)[nH]2)CC1 ZINC001232689896 1376503743 /nfs/dbraw/zinc/50/37/43/1376503743.db2.gz UPICVONMSQPXII-UHFFFAOYSA-N 2 1 328.298 3.329 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001080329515 1357574860 /nfs/dbraw/zinc/57/48/60/1357574860.db2.gz AYXDIIOFWAGQPK-LCLWPZTBSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001080329515 1357574862 /nfs/dbraw/zinc/57/48/62/1357574862.db2.gz AYXDIIOFWAGQPK-LCLWPZTBSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001080329515 1357574868 /nfs/dbraw/zinc/57/48/68/1357574868.db2.gz AYXDIIOFWAGQPK-LCLWPZTBSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554601 1357676879 /nfs/dbraw/zinc/67/68/79/1357676879.db2.gz XKNQSIBIZNEKJY-ZIFCJYIRSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CC1=CCCCC1 ZINC001071646052 1354824210 /nfs/dbraw/zinc/82/42/10/1354824210.db2.gz RKLQYLOHNGOKQV-IEBWSBKVSA-N 2 1 345.531 3.084 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CCCC1CCCC1 ZINC001071796671 1354941535 /nfs/dbraw/zinc/94/15/35/1354941535.db2.gz VNWUDWQRLFTNNI-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071897849 1355013048 /nfs/dbraw/zinc/01/30/48/1355013048.db2.gz QDQYRDOYQBNIKE-XLIONFOSSA-N 2 1 345.531 3.377 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CCC1CCCCCC1 ZINC001072082380 1355119225 /nfs/dbraw/zinc/11/92/25/1355119225.db2.gz ZCPPPUSFZNWZPN-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CC)C2 ZINC001073116345 1355605698 /nfs/dbraw/zinc/60/56/98/1355605698.db2.gz LYLVQRDJPPMBPN-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)CC)C2 ZINC001073116345 1355605700 /nfs/dbraw/zinc/60/57/00/1355605700.db2.gz LYLVQRDJPPMBPN-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)CC)C2 ZINC001073116345 1355605704 /nfs/dbraw/zinc/60/57/04/1355605704.db2.gz LYLVQRDJPPMBPN-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001074060846 1356060906 /nfs/dbraw/zinc/06/09/06/1356060906.db2.gz XPFFUQIJDLDEDR-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)[C@@H]1C ZINC001074685987 1356224509 /nfs/dbraw/zinc/22/45/09/1356224509.db2.gz DQIYWXNINTVRGS-WDSOQIARSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C)c1ccccc1Cl ZINC001074803659 1356248043 /nfs/dbraw/zinc/24/80/43/1356248043.db2.gz JJKWNZGJPCUOFE-DFEHZGFQSA-N 2 1 349.906 3.074 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCC3)[C@@H]2C)C1 ZINC001074826006 1356256690 /nfs/dbraw/zinc/25/66/90/1356256690.db2.gz QMZYEKWCWUDZBP-SXLOBPIMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C)c1ccccc1 ZINC001074831873 1356260009 /nfs/dbraw/zinc/26/00/09/1356260009.db2.gz FLOBILHJBFVZAC-VYMYIBDJSA-N 2 1 343.515 3.057 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001082612280 1358066199 /nfs/dbraw/zinc/06/61/99/1358066199.db2.gz FKVQUFOOIUHJKU-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001183517291 1387316051 /nfs/dbraw/zinc/31/60/51/1387316051.db2.gz YWTOAWSLSYZYMD-QLUPPNIVSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2CCCCC2)C1 ZINC001085639948 1358654028 /nfs/dbraw/zinc/65/40/28/1358654028.db2.gz ZDUPPXXBYSINJV-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC2CCCCC2)C1 ZINC001085639948 1358654029 /nfs/dbraw/zinc/65/40/29/1358654029.db2.gz ZDUPPXXBYSINJV-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC2CCCCC2)C1 ZINC001085639948 1358654030 /nfs/dbraw/zinc/65/40/30/1358654030.db2.gz ZDUPPXXBYSINJV-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCCC1CCC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085724221 1358713394 /nfs/dbraw/zinc/71/33/94/1358713394.db2.gz QLEMTWULBSTPAF-IBGZPJMESA-N 2 1 340.471 3.061 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCC1 ZINC001085855781 1358822895 /nfs/dbraw/zinc/82/28/95/1358822895.db2.gz JCIJMIOLANKSOW-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC1CCC1 ZINC001085855781 1358822899 /nfs/dbraw/zinc/82/28/99/1358822899.db2.gz JCIJMIOLANKSOW-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCC1 ZINC001085855781 1358822906 /nfs/dbraw/zinc/82/29/06/1358822906.db2.gz JCIJMIOLANKSOW-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086084802 1358991782 /nfs/dbraw/zinc/99/17/82/1358991782.db2.gz GSGXMBDJKHNYJN-JYBIWHBTSA-N 2 1 343.515 3.105 20 0 EGADMP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001086107191 1358999035 /nfs/dbraw/zinc/99/90/35/1358999035.db2.gz NPRFEDJDHWQZON-WSTZPKSXSA-N 2 1 347.547 3.068 20 0 EGADMP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001086118449 1359001626 /nfs/dbraw/zinc/00/16/26/1359001626.db2.gz AGLVOUGKYLIKEH-WCIQWLHISA-N 2 1 347.547 3.068 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001086175356 1359015090 /nfs/dbraw/zinc/01/50/90/1359015090.db2.gz SMKGIDZKYFMUHZ-AQNXPRMDSA-N 2 1 347.547 3.093 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC001086403161 1359088474 /nfs/dbraw/zinc/08/84/74/1359088474.db2.gz YFHLATGNBKQEMJ-QGZVKYPTSA-N 2 1 343.515 3.025 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001086402174 1359088794 /nfs/dbraw/zinc/08/87/94/1359088794.db2.gz KXYAILXAQHAKQJ-FHWLQOOXSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086454343 1359101560 /nfs/dbraw/zinc/10/15/60/1359101560.db2.gz GDEKEFBEQMKAEW-UFYCRDLUSA-N 2 1 349.563 3.173 20 0 EGADMP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001086456107 1359102639 /nfs/dbraw/zinc/10/26/39/1359102639.db2.gz QYCSBMCYVCFCOC-BJLQDIEVSA-N 2 1 347.547 3.068 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC001086850015 1359213679 /nfs/dbraw/zinc/21/36/79/1359213679.db2.gz MCTGEZHLZVSYEC-ZCNNSNEGSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086882786 1359220541 /nfs/dbraw/zinc/22/05/41/1359220541.db2.gz MKJVHLFJMJNNPM-QXAKKESOSA-N 2 1 349.563 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086883134 1359220612 /nfs/dbraw/zinc/22/06/12/1359220612.db2.gz QCHCVONACUWFDU-ZCNNSNEGSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)CCCC[NH+](C)C ZINC001184059005 1387385100 /nfs/dbraw/zinc/38/51/00/1387385100.db2.gz PYEVNXCSFZJJAV-ICSRJNTNSA-N 2 1 345.531 3.087 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C[C@H]2C)CC[NH+](CC(C)C)CC3)CC[N@H+]1C ZINC001086924757 1359250343 /nfs/dbraw/zinc/25/03/43/1359250343.db2.gz BCFAJFRXUDOZSX-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086942724 1359264180 /nfs/dbraw/zinc/26/41/80/1359264180.db2.gz YYDXXESQKRDKAO-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@@H]21 ZINC001087306513 1359392727 /nfs/dbraw/zinc/39/27/27/1359392727.db2.gz JWRUFRSMBOCTBQ-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C(C)(C)[C@H]21 ZINC001087312072 1359399705 /nfs/dbraw/zinc/39/97/05/1359399705.db2.gz YVSNRRXJWPWOSQ-QRVBRYPASA-N 2 1 349.563 3.122 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[N@H+]1CC(C)C ZINC001087671988 1359582793 /nfs/dbraw/zinc/58/27/93/1359582793.db2.gz YURYKSSBKDUVSI-VQTJNVASSA-N 2 1 345.531 3.029 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001087839786 1359674220 /nfs/dbraw/zinc/67/42/20/1359674220.db2.gz UHUUFKDHDZUXJY-RBUKOAKNSA-N 2 1 331.504 3.131 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@H+]1CCC1CCCC1 ZINC001087840777 1359674855 /nfs/dbraw/zinc/67/48/55/1359674855.db2.gz NJFHGFVASJYTEV-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC[NH+]1CCC1CCCC1 ZINC001087840777 1359674858 /nfs/dbraw/zinc/67/48/58/1359674858.db2.gz NJFHGFVASJYTEV-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC[NH+]1CCC1CCCC1 ZINC001087840777 1359674860 /nfs/dbraw/zinc/67/48/60/1359674860.db2.gz NJFHGFVASJYTEV-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@H+]1CC1CC(C)(C)C1 ZINC001087841020 1359674950 /nfs/dbraw/zinc/67/49/50/1359674950.db2.gz ZITPKBBRZOWNEV-IPMKNSEASA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC[NH+]1CC1CC(C)(C)C1 ZINC001087841020 1359674952 /nfs/dbraw/zinc/67/49/52/1359674952.db2.gz ZITPKBBRZOWNEV-IPMKNSEASA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC[NH+]1CC1CC(C)(C)C1 ZINC001087841020 1359674954 /nfs/dbraw/zinc/67/49/54/1359674954.db2.gz ZITPKBBRZOWNEV-IPMKNSEASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001323639042 1387414521 /nfs/dbraw/zinc/41/45/21/1387414521.db2.gz WRXQUCXXKQCABE-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCCC[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001088381634 1359864787 /nfs/dbraw/zinc/86/47/87/1359864787.db2.gz JEODMZPGRCCHDO-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1 ZINC001088411745 1359882812 /nfs/dbraw/zinc/88/28/12/1359882812.db2.gz PADCZWZVPPVAJU-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CCC1CCCCCC1 ZINC001088493507 1359941440 /nfs/dbraw/zinc/94/14/40/1359941440.db2.gz NMYXNPBJKOKABQ-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCC1CCCCCC1 ZINC001088493507 1359941444 /nfs/dbraw/zinc/94/14/44/1359941444.db2.gz NMYXNPBJKOKABQ-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CCC1CCCCCC1 ZINC001088493507 1359941446 /nfs/dbraw/zinc/94/14/46/1359941446.db2.gz NMYXNPBJKOKABQ-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CC2CCCC2)[C@@H]1C ZINC001088621514 1359993373 /nfs/dbraw/zinc/99/33/73/1359993373.db2.gz HJRJYEDBCNDMAJ-NEWSRXKRSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@@H]1C ZINC001088621514 1359993378 /nfs/dbraw/zinc/99/33/78/1359993378.db2.gz HJRJYEDBCNDMAJ-NEWSRXKRSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H]1C ZINC001088621514 1359993382 /nfs/dbraw/zinc/99/33/82/1359993382.db2.gz HJRJYEDBCNDMAJ-NEWSRXKRSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC3=CCCCC3)[C@@H]2C)C1 ZINC001088620383 1359994423 /nfs/dbraw/zinc/99/44/23/1359994423.db2.gz HRPWKRHRKAAAAA-RLLQIKCJSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC3=CCCCC3)[C@@H]2C)C1 ZINC001088620383 1359994427 /nfs/dbraw/zinc/99/44/27/1359994427.db2.gz HRPWKRHRKAAAAA-RLLQIKCJSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3=CCCCC3)[C@@H]2C)C1 ZINC001088620383 1359994432 /nfs/dbraw/zinc/99/44/32/1359994432.db2.gz HRPWKRHRKAAAAA-RLLQIKCJSA-N 2 1 347.547 3.044 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001088688380 1360013504 /nfs/dbraw/zinc/01/35/04/1360013504.db2.gz IHRLAQHOZSOIFR-BEFAXECRSA-N 2 1 342.487 3.272 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)[C@@H]1C ZINC001088891719 1360095337 /nfs/dbraw/zinc/09/53/37/1360095337.db2.gz LKFWFFUGINSWCK-CVEARBPZSA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H]1C ZINC001088891719 1360095345 /nfs/dbraw/zinc/09/53/45/1360095345.db2.gz LKFWFFUGINSWCK-CVEARBPZSA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088898558 1360097231 /nfs/dbraw/zinc/09/72/31/1360097231.db2.gz KPGXGZCIRZRNOU-NEWSRXKRSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088898558 1360097233 /nfs/dbraw/zinc/09/72/33/1360097233.db2.gz KPGXGZCIRZRNOU-NEWSRXKRSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088898558 1360097237 /nfs/dbraw/zinc/09/72/37/1360097237.db2.gz KPGXGZCIRZRNOU-NEWSRXKRSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)[C@@H]1C ZINC001088898366 1360097594 /nfs/dbraw/zinc/09/75/94/1360097594.db2.gz BTWTZXKJTIPSAN-NEWSRXKRSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@@H]1C ZINC001088898366 1360097597 /nfs/dbraw/zinc/09/75/97/1360097597.db2.gz BTWTZXKJTIPSAN-NEWSRXKRSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H]1C ZINC001088898366 1360097600 /nfs/dbraw/zinc/09/76/00/1360097600.db2.gz BTWTZXKJTIPSAN-NEWSRXKRSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001089181269 1360230781 /nfs/dbraw/zinc/23/07/81/1360230781.db2.gz LBKPGMICPHGZQZ-ICSRJNTNSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001089181269 1360230785 /nfs/dbraw/zinc/23/07/85/1360230785.db2.gz LBKPGMICPHGZQZ-ICSRJNTNSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001089181269 1360230787 /nfs/dbraw/zinc/23/07/87/1360230787.db2.gz LBKPGMICPHGZQZ-ICSRJNTNSA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2C[N@H+](C)CC)o1 ZINC001089263263 1360291282 /nfs/dbraw/zinc/29/12/82/1360291282.db2.gz SHEONGPMDMEPFK-INIZCTEOSA-N 2 1 335.492 3.068 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334515 1360348067 /nfs/dbraw/zinc/34/80/67/1360348067.db2.gz IJNOFRIONIBDEU-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089334515 1360348072 /nfs/dbraw/zinc/34/80/72/1360348072.db2.gz IJNOFRIONIBDEU-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089334515 1360348075 /nfs/dbraw/zinc/34/80/75/1360348075.db2.gz IJNOFRIONIBDEU-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089407084 1360405393 /nfs/dbraw/zinc/40/53/93/1360405393.db2.gz VUDPTZUVYYMBNT-PKOBYXMFSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089407084 1360405397 /nfs/dbraw/zinc/40/53/97/1360405397.db2.gz VUDPTZUVYYMBNT-PKOBYXMFSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089407084 1360405399 /nfs/dbraw/zinc/40/53/99/1360405399.db2.gz VUDPTZUVYYMBNT-PKOBYXMFSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089420866 1360414964 /nfs/dbraw/zinc/41/49/64/1360414964.db2.gz QETYJHWNWMNWEC-QZTJIDSGSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089420866 1360414965 /nfs/dbraw/zinc/41/49/65/1360414965.db2.gz QETYJHWNWMNWEC-QZTJIDSGSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089420866 1360414967 /nfs/dbraw/zinc/41/49/67/1360414967.db2.gz QETYJHWNWMNWEC-QZTJIDSGSA-N 2 1 335.536 3.044 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089431009 1360422937 /nfs/dbraw/zinc/42/29/37/1360422937.db2.gz WXOXVDFPUUTWKS-KRWDZBQOSA-N 2 1 342.487 3.355 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089565418 1360511961 /nfs/dbraw/zinc/51/19/61/1360511961.db2.gz RMXODRKCDKQBDE-GOSISDBHSA-N 2 1 345.531 3.377 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC(C)C)CC(C)(C)C1 ZINC001089565389 1360512401 /nfs/dbraw/zinc/51/24/01/1360512401.db2.gz QNZUUQQMNNXSCM-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(C)C)CC(C)(C)C1 ZINC001089565389 1360512402 /nfs/dbraw/zinc/51/24/02/1360512402.db2.gz QNZUUQQMNNXSCM-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(C)C)CC(C)(C)C1 ZINC001089565389 1360512405 /nfs/dbraw/zinc/51/24/05/1360512405.db2.gz QNZUUQQMNNXSCM-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001089649463 1360562935 /nfs/dbraw/zinc/56/29/35/1360562935.db2.gz JIFSYKWJUPZLHD-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001089649463 1360562939 /nfs/dbraw/zinc/56/29/39/1360562939.db2.gz JIFSYKWJUPZLHD-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001089649463 1360562943 /nfs/dbraw/zinc/56/29/43/1360562943.db2.gz JIFSYKWJUPZLHD-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089688732 1360594913 /nfs/dbraw/zinc/59/49/13/1360594913.db2.gz YNTCSKPDMFEDOZ-KRWDZBQOSA-N 2 1 349.519 3.218 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089688732 1360594916 /nfs/dbraw/zinc/59/49/16/1360594916.db2.gz YNTCSKPDMFEDOZ-KRWDZBQOSA-N 2 1 349.519 3.218 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CCCC3CCCC3)C2)C1 ZINC001323873531 1387485466 /nfs/dbraw/zinc/48/54/66/1387485466.db2.gz PGGBGTFCPXQYQG-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@]2(CC[N@H+](CCCC3CCCC3)C2)C1 ZINC001323873531 1387485470 /nfs/dbraw/zinc/48/54/70/1387485470.db2.gz PGGBGTFCPXQYQG-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@]2(CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001323873531 1387485475 /nfs/dbraw/zinc/48/54/75/1387485475.db2.gz PGGBGTFCPXQYQG-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001091026276 1360982169 /nfs/dbraw/zinc/98/21/69/1360982169.db2.gz LHCKXSQNHZZUQX-MHJFOBGBSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CCC3CCCC3)C2)C1 ZINC001091064652 1360988206 /nfs/dbraw/zinc/98/82/06/1360988206.db2.gz LSRJNHBMKDEUSA-IOJLRTSASA-N 2 1 349.563 3.029 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091666902 1361176140 /nfs/dbraw/zinc/17/61/40/1361176140.db2.gz KHXNEDYGIUIIGH-LQWHRVPQSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091666902 1361176142 /nfs/dbraw/zinc/17/61/42/1361176142.db2.gz KHXNEDYGIUIIGH-LQWHRVPQSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091666902 1361176145 /nfs/dbraw/zinc/17/61/45/1361176145.db2.gz KHXNEDYGIUIIGH-LQWHRVPQSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCC1)CC2 ZINC001094430206 1361799190 /nfs/dbraw/zinc/79/91/90/1361799190.db2.gz HLIWAUMZTKOZAU-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2 ZINC001094430206 1361799193 /nfs/dbraw/zinc/79/91/93/1361799193.db2.gz HLIWAUMZTKOZAU-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2 ZINC001094430206 1361799196 /nfs/dbraw/zinc/79/91/96/1361799196.db2.gz HLIWAUMZTKOZAU-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC=C(C)C)CC2 ZINC001094430262 1361799487 /nfs/dbraw/zinc/79/94/87/1361799487.db2.gz JCICGGCMJFQMQA-QKNQBKEWSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC=C(C)C)CC2 ZINC001094430262 1361799490 /nfs/dbraw/zinc/79/94/90/1361799490.db2.gz JCICGGCMJFQMQA-QKNQBKEWSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC=C(C)C)CC2 ZINC001094430262 1361799491 /nfs/dbraw/zinc/79/94/91/1361799491.db2.gz JCICGGCMJFQMQA-QKNQBKEWSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CC1 ZINC001096313443 1362460673 /nfs/dbraw/zinc/46/06/73/1362460673.db2.gz GSZDOYSRXXTLEM-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1 ZINC001096313443 1362460676 /nfs/dbraw/zinc/46/06/76/1362460676.db2.gz GSZDOYSRXXTLEM-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001096313443 1362460680 /nfs/dbraw/zinc/46/06/80/1362460680.db2.gz GSZDOYSRXXTLEM-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001096597466 1362591564 /nfs/dbraw/zinc/59/15/64/1362591564.db2.gz IBLADNTVRSDNKG-AABGKKOBSA-N 2 1 341.499 3.050 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCCC1 ZINC001096887153 1362767771 /nfs/dbraw/zinc/76/77/71/1362767771.db2.gz AYMKGWBAUBNEOV-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCCC1 ZINC001096887153 1362767773 /nfs/dbraw/zinc/76/77/73/1362767773.db2.gz AYMKGWBAUBNEOV-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCCC1 ZINC001096887153 1362767782 /nfs/dbraw/zinc/76/77/82/1362767782.db2.gz AYMKGWBAUBNEOV-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001097075430 1362834249 /nfs/dbraw/zinc/83/42/49/1362834249.db2.gz UJRGEWYAZNOPPE-MLHJIOFPSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001097405621 1362975031 /nfs/dbraw/zinc/97/50/31/1362975031.db2.gz OMGIWFMXAJJIHU-ZRNYENFQSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1 ZINC001097405621 1362975036 /nfs/dbraw/zinc/97/50/36/1362975036.db2.gz OMGIWFMXAJJIHU-ZRNYENFQSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001097405621 1362975038 /nfs/dbraw/zinc/97/50/38/1362975038.db2.gz OMGIWFMXAJJIHU-ZRNYENFQSA-N 2 1 347.547 3.019 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(CC)CC)C1 ZINC001097694950 1363102939 /nfs/dbraw/zinc/10/29/39/1363102939.db2.gz LWZYZEVXKYRCBW-NMLBUPMWSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(CC)CC)C1 ZINC001097694950 1363102940 /nfs/dbraw/zinc/10/29/40/1363102940.db2.gz LWZYZEVXKYRCBW-NMLBUPMWSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(CC)CC)C1 ZINC001097694950 1363102942 /nfs/dbraw/zinc/10/29/42/1363102942.db2.gz LWZYZEVXKYRCBW-NMLBUPMWSA-N 2 1 349.563 3.266 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCC2)C1 ZINC001098219671 1363258820 /nfs/dbraw/zinc/25/88/20/1363258820.db2.gz OQWHNKADJMJCKY-NMLBUPMWSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCCC2)C1 ZINC001098219671 1363258823 /nfs/dbraw/zinc/25/88/23/1363258823.db2.gz OQWHNKADJMJCKY-NMLBUPMWSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCCC2)C1 ZINC001098219671 1363258826 /nfs/dbraw/zinc/25/88/26/1363258826.db2.gz OQWHNKADJMJCKY-NMLBUPMWSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[C@H]([NH2+]CC)C2CCCC2)C1 ZINC001098822205 1363482667 /nfs/dbraw/zinc/48/26/67/1363482667.db2.gz XFFFNDYSGWQIEW-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185168600 1387631938 /nfs/dbraw/zinc/63/19/38/1387631938.db2.gz HTOZSXCJPDJZNH-QZTJIDSGSA-N 2 1 339.568 3.085 20 0 EGADMP CC(C)(C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC1)[NH+]1CCCCC1 ZINC001099069608 1363606022 /nfs/dbraw/zinc/60/60/22/1363606022.db2.gz JOZJEPMDUUPXIE-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099166713 1363666894 /nfs/dbraw/zinc/66/68/94/1363666894.db2.gz ZDYQWUBUYXVPLA-SFHVURJKSA-N 2 1 349.563 3.434 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCC1CCC1 ZINC001099215478 1363696316 /nfs/dbraw/zinc/69/63/16/1363696316.db2.gz VCJQWKZDXFPDSN-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001099234532 1363705971 /nfs/dbraw/zinc/70/59/71/1363705971.db2.gz JUNHSJMREQBNBI-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1 ZINC001099234532 1363705976 /nfs/dbraw/zinc/70/59/76/1363705976.db2.gz JUNHSJMREQBNBI-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCCC1 ZINC001099234532 1363705978 /nfs/dbraw/zinc/70/59/78/1363705978.db2.gz JUNHSJMREQBNBI-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC(CC(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CCC2CC2)CC1 ZINC001099258926 1363720573 /nfs/dbraw/zinc/72/05/73/1363720573.db2.gz VXVKBYWOADSLIU-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001099269581 1363724556 /nfs/dbraw/zinc/72/45/56/1363724556.db2.gz AURXWPUEFQUUMQ-ZWKOTPCHSA-N 2 1 339.568 3.370 20 0 EGADMP CCCCCC[N@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCF ZINC001099270269 1363725731 /nfs/dbraw/zinc/72/57/31/1363725731.db2.gz KFTXJIUKMDRLBZ-QGZVFWFLSA-N 2 1 343.531 3.075 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCF ZINC001099270269 1363725734 /nfs/dbraw/zinc/72/57/34/1363725734.db2.gz KFTXJIUKMDRLBZ-QGZVFWFLSA-N 2 1 343.531 3.075 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCF ZINC001099270269 1363725738 /nfs/dbraw/zinc/72/57/38/1363725738.db2.gz KFTXJIUKMDRLBZ-QGZVFWFLSA-N 2 1 343.531 3.075 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCF ZINC001099270269 1363725741 /nfs/dbraw/zinc/72/57/41/1363725741.db2.gz KFTXJIUKMDRLBZ-QGZVFWFLSA-N 2 1 343.531 3.075 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC2CCC2)CC1 ZINC001099280347 1363729486 /nfs/dbraw/zinc/72/94/86/1363729486.db2.gz FUMVBPHXWVXOBQ-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001099310401 1363742774 /nfs/dbraw/zinc/74/27/74/1363742774.db2.gz LCGQCCCLZSDXIF-OOFWQKGWSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001099311282 1363744964 /nfs/dbraw/zinc/74/49/64/1363744964.db2.gz ZNSGCZFUDJMMIM-SFHVURJKSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]cnc1C ZINC001099324359 1363751002 /nfs/dbraw/zinc/75/10/02/1363751002.db2.gz KWDUVXZANUELNX-KRWDZBQOSA-N 2 1 348.535 3.448 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339044 1363759040 /nfs/dbraw/zinc/75/90/40/1363759040.db2.gz CUPFOVBLUPKZPB-QWNKOJSDSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[NH2+]C1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001100346191 1364086699 /nfs/dbraw/zinc/08/66/99/1364086699.db2.gz VVJRTVMPTOXINV-MBKKVWCESA-N 2 1 346.519 3.237 20 0 EGADMP C[N@@H+](CC(=O)NCC1CC([NH2+]CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001100410794 1364105128 /nfs/dbraw/zinc/10/51/28/1364105128.db2.gz NMICQTXMTXSUQU-UHFFFAOYSA-N 2 1 349.563 3.172 20 0 EGADMP CCCCC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001100535946 1364150724 /nfs/dbraw/zinc/15/07/24/1364150724.db2.gz CNWGUDABHCJJIJ-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001100729724 1364238494 /nfs/dbraw/zinc/23/84/94/1364238494.db2.gz LIEABWRZTWTKMM-JVSUKQCGSA-N 2 1 335.536 3.090 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]Cc2c(C)cccc2C)C1 ZINC001100897021 1364320076 /nfs/dbraw/zinc/32/00/76/1364320076.db2.gz YDWQXABDHIRMKT-UHFFFAOYSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)CCC[NH2+]C1CC(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001101065317 1364398354 /nfs/dbraw/zinc/39/83/54/1364398354.db2.gz LPXPGNPGMSXJGN-UHFFFAOYSA-N 2 1 345.531 3.039 20 0 EGADMP CC(C)CCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001101065317 1364398356 /nfs/dbraw/zinc/39/83/56/1364398356.db2.gz LPXPGNPGMSXJGN-UHFFFAOYSA-N 2 1 345.531 3.039 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C(C)(C)C[NH2+]CCC(C)C)CC1 ZINC001101588270 1364638693 /nfs/dbraw/zinc/63/86/93/1364638693.db2.gz CUVAAINOXDKRPK-UHFFFAOYSA-N 2 1 339.568 3.229 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001102189967 1364924046 /nfs/dbraw/zinc/92/40/46/1364924046.db2.gz LIYQRAVVFOKKFN-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CC2)C[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001102189967 1364924049 /nfs/dbraw/zinc/92/40/49/1364924049.db2.gz LIYQRAVVFOKKFN-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CC2)C[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001102189967 1364924052 /nfs/dbraw/zinc/92/40/52/1364924052.db2.gz LIYQRAVVFOKKFN-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001102524540 1365097598 /nfs/dbraw/zinc/09/75/98/1365097598.db2.gz KPFRAHWVRIUVDL-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C ZINC001102524540 1365097606 /nfs/dbraw/zinc/09/76/06/1365097606.db2.gz KPFRAHWVRIUVDL-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C ZINC001102524540 1365097609 /nfs/dbraw/zinc/09/76/09/1365097609.db2.gz KPFRAHWVRIUVDL-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001185546832 1387745167 /nfs/dbraw/zinc/74/51/67/1387745167.db2.gz DSHUDWUTNSAKDV-MOPGFXCFSA-N 2 1 339.568 3.373 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103483592 1365590062 /nfs/dbraw/zinc/59/00/62/1365590062.db2.gz IVQYJCHPWOEJNG-QZTJIDSGSA-N 2 1 348.535 3.271 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103483592 1365590066 /nfs/dbraw/zinc/59/00/66/1365590066.db2.gz IVQYJCHPWOEJNG-QZTJIDSGSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001103495428 1365597281 /nfs/dbraw/zinc/59/72/81/1365597281.db2.gz CALSPXBVUQXHCG-HSALFYBXSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001104676449 1366127493 /nfs/dbraw/zinc/12/74/93/1366127493.db2.gz KQHORQIQOWCYCQ-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001104676743 1366127571 /nfs/dbraw/zinc/12/75/71/1366127571.db2.gz WAHMOKPEWFYTQP-QWFCFKBJSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104909083 1366219818 /nfs/dbraw/zinc/21/98/18/1366219818.db2.gz WOCWKOGFXJJQCC-PFRNKHFKSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC2CC(C)C2)CC1 ZINC001324864678 1387796010 /nfs/dbraw/zinc/79/60/10/1387796010.db2.gz RAYQWIJOESCMSR-CTWPCTMYSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001105393568 1366441795 /nfs/dbraw/zinc/44/17/95/1366441795.db2.gz BDTYOJSJVNGKHV-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001105393568 1366441798 /nfs/dbraw/zinc/44/17/98/1366441798.db2.gz BDTYOJSJVNGKHV-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001105393568 1366441800 /nfs/dbraw/zinc/44/18/00/1366441800.db2.gz BDTYOJSJVNGKHV-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001105536628 1366516465 /nfs/dbraw/zinc/51/64/65/1366516465.db2.gz FOIOAQDVVHSXKB-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)CCC1 ZINC001105572320 1366538799 /nfs/dbraw/zinc/53/87/99/1366538799.db2.gz OGDMUGUCSRDRQO-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105574968 1366539943 /nfs/dbraw/zinc/53/99/43/1366539943.db2.gz NVXGQGLMMGVKFI-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001106339799 1366660774 /nfs/dbraw/zinc/66/07/74/1366660774.db2.gz AQUOSFXUIYVYGO-IAGOWNOFSA-N 2 1 339.568 3.227 20 0 EGADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C[NH2+]CCCC2CCCC2)[C@H](C)C1 ZINC001106665169 1366768676 /nfs/dbraw/zinc/76/86/76/1366768676.db2.gz KIBUZNWSICUVEX-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106673050 1366770140 /nfs/dbraw/zinc/77/01/40/1366770140.db2.gz QDOYNVBBBZKXBG-SJLPKXTDSA-N 2 1 339.568 3.085 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107410443 1366955746 /nfs/dbraw/zinc/95/57/46/1366955746.db2.gz CLCLDAVMVDBXGU-DLSAWSQDSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107410443 1366955748 /nfs/dbraw/zinc/95/57/48/1366955748.db2.gz CLCLDAVMVDBXGU-DLSAWSQDSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107410443 1366955749 /nfs/dbraw/zinc/95/57/49/1366955749.db2.gz CLCLDAVMVDBXGU-DLSAWSQDSA-N 2 1 347.547 3.044 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001107412194 1366956600 /nfs/dbraw/zinc/95/66/00/1366956600.db2.gz NEFGIVNVPJBNJW-QEUVDIPISA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001107412194 1366956603 /nfs/dbraw/zinc/95/66/03/1366956603.db2.gz NEFGIVNVPJBNJW-QEUVDIPISA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001107412194 1366956605 /nfs/dbraw/zinc/95/66/05/1366956605.db2.gz NEFGIVNVPJBNJW-QEUVDIPISA-N 2 1 349.563 3.268 20 0 EGADMP C[N@@H+](CC(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2)C1CCC1 ZINC001107439410 1366963738 /nfs/dbraw/zinc/96/37/38/1366963738.db2.gz ZXENJOVPBLRJJD-WIYYLYMNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)(C)C)CC2)C1CCC1 ZINC001107439410 1366963741 /nfs/dbraw/zinc/96/37/41/1366963741.db2.gz ZXENJOVPBLRJJD-WIYYLYMNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)(C)C)CC2)C1CCC1 ZINC001107439410 1366963745 /nfs/dbraw/zinc/96/37/45/1366963745.db2.gz ZXENJOVPBLRJJD-WIYYLYMNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)C1(CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CC2CC2)CC3)CCCC1 ZINC001107486774 1366987452 /nfs/dbraw/zinc/98/74/52/1366987452.db2.gz KFIIFXKLZMIVMT-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@@H+](CCCC(C)(C)C)C[C@H]32)CC1 ZINC001189317198 1366987507 /nfs/dbraw/zinc/98/75/07/1366987507.db2.gz JRUCYHOZBDQONQ-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107494878 1366993766 /nfs/dbraw/zinc/99/37/66/1366993766.db2.gz DQVPVOFLSDFHMB-WAOWUJCRSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC3CC(C)C3)C[C@H]21 ZINC001189454564 1367026257 /nfs/dbraw/zinc/02/62/57/1367026257.db2.gz WHVHIXPFGQAKTG-GHBBCFCZSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC3CC(C)C3)C[C@H]21 ZINC001189454564 1367026261 /nfs/dbraw/zinc/02/62/61/1367026261.db2.gz WHVHIXPFGQAKTG-GHBBCFCZSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC3CC(C)C3)C[C@H]21 ZINC001189454564 1367026266 /nfs/dbraw/zinc/02/62/66/1367026266.db2.gz WHVHIXPFGQAKTG-GHBBCFCZSA-N 2 1 349.563 3.077 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109263718 1367033203 /nfs/dbraw/zinc/03/32/03/1367033203.db2.gz HGKBEZSLIUBUOL-CARIKJKMSA-N 2 1 347.547 3.327 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109263718 1367033210 /nfs/dbraw/zinc/03/32/10/1367033210.db2.gz HGKBEZSLIUBUOL-CARIKJKMSA-N 2 1 347.547 3.327 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001109263718 1367033215 /nfs/dbraw/zinc/03/32/15/1367033215.db2.gz HGKBEZSLIUBUOL-CARIKJKMSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107554030 1367039823 /nfs/dbraw/zinc/03/98/23/1367039823.db2.gz VMNWGXGJQBIVHI-OYCQEXPWSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001109290020 1367040318 /nfs/dbraw/zinc/04/03/18/1367040318.db2.gz VCWRHQZFGLTXRB-QYZOEREBSA-N 2 1 349.563 3.409 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CCCC1CCC1)CC2 ZINC001107598674 1367064808 /nfs/dbraw/zinc/06/48/08/1367064808.db2.gz QGSAGMZEAVOIGM-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCC1CCC1)CC2 ZINC001107598674 1367064813 /nfs/dbraw/zinc/06/48/13/1367064813.db2.gz QGSAGMZEAVOIGM-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC1CCC1)CC2 ZINC001107598674 1367064817 /nfs/dbraw/zinc/06/48/17/1367064817.db2.gz QGSAGMZEAVOIGM-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107598610 1367065008 /nfs/dbraw/zinc/06/50/08/1367065008.db2.gz MUGFWFBXYFENAR-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001107598610 1367065011 /nfs/dbraw/zinc/06/50/11/1367065011.db2.gz MUGFWFBXYFENAR-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001107598610 1367065016 /nfs/dbraw/zinc/06/50/16/1367065016.db2.gz MUGFWFBXYFENAR-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107632927 1367083891 /nfs/dbraw/zinc/08/38/91/1367083891.db2.gz FWNUUAFOENLASY-YDWSFWPNSA-N 2 1 347.547 3.189 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCCC(C)(C)C)CC3)C1 ZINC001107632207 1367084830 /nfs/dbraw/zinc/08/48/30/1367084830.db2.gz WHAWLJJTFYTQNM-DBXWQHBBSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCCC(C)(C)C)CC3)C1 ZINC001107632207 1367084838 /nfs/dbraw/zinc/08/48/38/1367084838.db2.gz WHAWLJJTFYTQNM-DBXWQHBBSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCCC(C)(C)C)CC3)C1 ZINC001107632207 1367084842 /nfs/dbraw/zinc/08/48/42/1367084842.db2.gz WHAWLJJTFYTQNM-DBXWQHBBSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646710 1367092458 /nfs/dbraw/zinc/09/24/58/1367092458.db2.gz RMIACBRQOLRQSX-KFHCLJRTSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646710 1367092462 /nfs/dbraw/zinc/09/24/62/1367092462.db2.gz RMIACBRQOLRQSX-KFHCLJRTSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646710 1367092468 /nfs/dbraw/zinc/09/24/68/1367092468.db2.gz RMIACBRQOLRQSX-KFHCLJRTSA-N 2 1 349.563 3.434 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001109417615 1367112159 /nfs/dbraw/zinc/11/21/59/1367112159.db2.gz HVICFXZEPHZQFZ-YRPNKDGESA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001109417615 1367112161 /nfs/dbraw/zinc/11/21/61/1367112161.db2.gz HVICFXZEPHZQFZ-YRPNKDGESA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001109417615 1367112165 /nfs/dbraw/zinc/11/21/65/1367112165.db2.gz HVICFXZEPHZQFZ-YRPNKDGESA-N 2 1 347.547 3.163 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001109464074 1367137856 /nfs/dbraw/zinc/13/78/56/1367137856.db2.gz KIMRXHBTWWNNRJ-QYZOEREBSA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001109464074 1367137861 /nfs/dbraw/zinc/13/78/61/1367137861.db2.gz KIMRXHBTWWNNRJ-QYZOEREBSA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001109464074 1367137866 /nfs/dbraw/zinc/13/78/66/1367137866.db2.gz KIMRXHBTWWNNRJ-QYZOEREBSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485184 1367152481 /nfs/dbraw/zinc/15/24/81/1367152481.db2.gz OKEOPFJBPLBJOR-YRXWBPOGSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001190084473 1367169005 /nfs/dbraw/zinc/16/90/05/1367169005.db2.gz NWDBJGXQSKTQRS-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001190084473 1367169011 /nfs/dbraw/zinc/16/90/11/1367169011.db2.gz NWDBJGXQSKTQRS-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001190084473 1367169016 /nfs/dbraw/zinc/16/90/16/1367169016.db2.gz NWDBJGXQSKTQRS-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190178137 1367192504 /nfs/dbraw/zinc/19/25/04/1367192504.db2.gz TXOKFQSUZHUSDT-ICSRJNTNSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190178137 1367192514 /nfs/dbraw/zinc/19/25/14/1367192514.db2.gz TXOKFQSUZHUSDT-ICSRJNTNSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190178137 1367192518 /nfs/dbraw/zinc/19/25/18/1367192518.db2.gz TXOKFQSUZHUSDT-ICSRJNTNSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109560824 1367198300 /nfs/dbraw/zinc/19/83/00/1367198300.db2.gz SWGKTUCBJZNCTC-AABGKKOBSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001109560824 1367198303 /nfs/dbraw/zinc/19/83/03/1367198303.db2.gz SWGKTUCBJZNCTC-AABGKKOBSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001109560824 1367198307 /nfs/dbraw/zinc/19/83/07/1367198307.db2.gz SWGKTUCBJZNCTC-AABGKKOBSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109589853 1367215255 /nfs/dbraw/zinc/21/52/55/1367215255.db2.gz GVCJDYPOUCPJHP-YRXWBPOGSA-N 2 1 349.563 3.265 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001186081833 1387862393 /nfs/dbraw/zinc/86/23/93/1387862393.db2.gz BHDUVIILAAMHTI-LXORQPIJSA-N 2 1 335.536 3.186 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C)[NH+](CC)CC ZINC001109714633 1367289657 /nfs/dbraw/zinc/28/96/57/1367289657.db2.gz QVOXUVVJRQRNAF-OWSLCNJRSA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1)[NH+](C)C ZINC001109733522 1367295176 /nfs/dbraw/zinc/29/51/76/1367295176.db2.gz SOJKMZYORRGFDM-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001109856470 1367361023 /nfs/dbraw/zinc/36/10/23/1367361023.db2.gz NMYIMPNEGXCPLZ-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1 ZINC001109856470 1367361029 /nfs/dbraw/zinc/36/10/29/1367361029.db2.gz NMYIMPNEGXCPLZ-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001109856470 1367361036 /nfs/dbraw/zinc/36/10/36/1367361036.db2.gz NMYIMPNEGXCPLZ-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)C(C)C ZINC001109859975 1367363972 /nfs/dbraw/zinc/36/39/72/1367363972.db2.gz CYGJLNSFPSWVCM-FUMNGEBKSA-N 2 1 349.563 3.265 20 0 EGADMP CCCC[N@H+]1CCC[C@@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001324979942 1387870085 /nfs/dbraw/zinc/87/00/85/1387870085.db2.gz ZKOLMROHURQFQG-NRFANRHFSA-N 2 1 345.531 3.380 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001109865412 1367371023 /nfs/dbraw/zinc/37/10/23/1367371023.db2.gz OJLRABUCYFMSOW-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC001325022557 1387875804 /nfs/dbraw/zinc/87/58/04/1387875804.db2.gz GNFMGHWMTDLBRA-IBGZPJMESA-N 2 1 348.560 3.360 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC001325022557 1387875807 /nfs/dbraw/zinc/87/58/07/1387875807.db2.gz GNFMGHWMTDLBRA-IBGZPJMESA-N 2 1 348.560 3.360 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC001325022557 1387875809 /nfs/dbraw/zinc/87/58/09/1387875809.db2.gz GNFMGHWMTDLBRA-IBGZPJMESA-N 2 1 348.560 3.360 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110007061 1367455910 /nfs/dbraw/zinc/45/59/10/1367455910.db2.gz HFSKLVZQNHPMPM-CXLYAGSJSA-N 2 1 335.536 3.186 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC001325022557 1387875813 /nfs/dbraw/zinc/87/58/13/1387875813.db2.gz GNFMGHWMTDLBRA-IBGZPJMESA-N 2 1 348.560 3.360 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110015109 1367458874 /nfs/dbraw/zinc/45/88/74/1367458874.db2.gz ZHGICIXTNHYHIG-WYBNUAJGSA-N 2 1 335.536 3.186 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001110015109 1367458876 /nfs/dbraw/zinc/45/88/76/1367458876.db2.gz ZHGICIXTNHYHIG-WYBNUAJGSA-N 2 1 335.536 3.186 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001110015109 1367458880 /nfs/dbraw/zinc/45/88/80/1367458880.db2.gz ZHGICIXTNHYHIG-WYBNUAJGSA-N 2 1 335.536 3.186 20 0 EGADMP C[N@@H+](CCCC1CCC1)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191350772 1367481972 /nfs/dbraw/zinc/48/19/72/1367481972.db2.gz BTWOKXBCBAXFIS-LJQANCHMSA-N 2 1 340.471 3.061 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191351867 1367482461 /nfs/dbraw/zinc/48/24/61/1367482461.db2.gz NJUJJYOHIBWFHW-GOSISDBHSA-N 2 1 342.487 3.307 20 0 EGADMP C[NH+](CCC(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1)C1CCCCC1 ZINC001191551517 1367526240 /nfs/dbraw/zinc/52/62/40/1367526240.db2.gz NHPKFHVBIKKWPX-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCC1)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001191551517 1367526247 /nfs/dbraw/zinc/52/62/47/1367526247.db2.gz NHPKFHVBIKKWPX-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCC1)[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001191551517 1367526254 /nfs/dbraw/zinc/52/62/54/1367526254.db2.gz NHPKFHVBIKKWPX-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110159602 1367531563 /nfs/dbraw/zinc/53/15/63/1367531563.db2.gz SODAOIOUDSKFMJ-HNJRGHQBSA-N 2 1 343.515 3.118 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159602 1367531567 /nfs/dbraw/zinc/53/15/67/1367531567.db2.gz SODAOIOUDSKFMJ-HNJRGHQBSA-N 2 1 343.515 3.118 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159602 1367531569 /nfs/dbraw/zinc/53/15/69/1367531569.db2.gz SODAOIOUDSKFMJ-HNJRGHQBSA-N 2 1 343.515 3.118 20 0 EGADMP CC(C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001108733945 1367565711 /nfs/dbraw/zinc/56/57/11/1367565711.db2.gz LTQAAFXCIMMTKE-SCTDSRPQSA-N 2 1 335.536 3.019 20 0 EGADMP CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001108772586 1367588308 /nfs/dbraw/zinc/58/83/08/1367588308.db2.gz VZQSTOHBYLGQNK-KSZLIROESA-N 2 1 346.519 3.166 20 0 EGADMP CCCc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001192047048 1367673652 /nfs/dbraw/zinc/67/36/52/1367673652.db2.gz QPDUZRBMLXUUGI-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C1)[NH+](C)C ZINC001192191268 1367711538 /nfs/dbraw/zinc/71/15/38/1367711538.db2.gz XGAGMFRTCHFBEY-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192324511 1367752848 /nfs/dbraw/zinc/75/28/48/1367752848.db2.gz GSVJCQABTUDGDM-JQDPHBCOSA-N 2 1 337.552 3.386 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192406066 1367774531 /nfs/dbraw/zinc/77/45/31/1367774531.db2.gz AAFQIHOYGQNENN-HKUYNNGSSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192406066 1367774536 /nfs/dbraw/zinc/77/45/36/1367774536.db2.gz AAFQIHOYGQNENN-HKUYNNGSSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192406066 1367774541 /nfs/dbraw/zinc/77/45/41/1367774541.db2.gz AAFQIHOYGQNENN-HKUYNNGSSA-N 2 1 345.531 3.258 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192844938 1367886915 /nfs/dbraw/zinc/88/69/15/1367886915.db2.gz COUCAVXJMSEBIN-HXUWFJFHSA-N 2 1 345.531 3.331 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([N@@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001192859400 1367889942 /nfs/dbraw/zinc/88/99/42/1367889942.db2.gz XDEDQADJBRWCOV-HKUYNNGSSA-N 2 1 348.535 3.187 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([N@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001192859400 1367889945 /nfs/dbraw/zinc/88/99/45/1367889945.db2.gz XDEDQADJBRWCOV-HKUYNNGSSA-N 2 1 348.535 3.187 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110657897 1367901577 /nfs/dbraw/zinc/90/15/77/1367901577.db2.gz DIVXOTLZOHXPRJ-BWGAQWGUSA-N 2 1 347.547 3.042 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001110657897 1367901582 /nfs/dbraw/zinc/90/15/82/1367901582.db2.gz DIVXOTLZOHXPRJ-BWGAQWGUSA-N 2 1 347.547 3.042 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001110657897 1367901585 /nfs/dbraw/zinc/90/15/85/1367901585.db2.gz DIVXOTLZOHXPRJ-BWGAQWGUSA-N 2 1 347.547 3.042 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917017 1367903920 /nfs/dbraw/zinc/90/39/20/1367903920.db2.gz HRFYPOPQYNQBBM-QZTJIDSGSA-N 2 1 325.541 3.076 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916603 1367903769 /nfs/dbraw/zinc/90/37/69/1367903769.db2.gz ABDFNGFUKHMQNE-DYCGFVMMSA-N 2 1 337.552 3.242 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C1)C(C)C ZINC001192923931 1367905711 /nfs/dbraw/zinc/90/57/11/1367905711.db2.gz QKTFWVHNCNTUGT-UXHICEINSA-N 2 1 349.563 3.386 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948645 1367910320 /nfs/dbraw/zinc/91/03/20/1367910320.db2.gz UUWUUVZOQRBUBA-RBUKOAKNSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110748683 1367958909 /nfs/dbraw/zinc/95/89/09/1367958909.db2.gz OEWRGJOXTOCCSD-AITUJVMLSA-N 2 1 349.563 3.407 20 0 EGADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001110748683 1367958912 /nfs/dbraw/zinc/95/89/12/1367958912.db2.gz OEWRGJOXTOCCSD-AITUJVMLSA-N 2 1 349.563 3.407 20 0 EGADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001110748683 1367958915 /nfs/dbraw/zinc/95/89/15/1367958915.db2.gz OEWRGJOXTOCCSD-AITUJVMLSA-N 2 1 349.563 3.407 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@@H+](C)C[C@@H](C)CC)C1 ZINC001193423929 1368027673 /nfs/dbraw/zinc/02/76/73/1368027673.db2.gz HVSAIDKHSYZQQN-OALUTQOASA-N 2 1 339.568 3.467 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001193571538 1368064150 /nfs/dbraw/zinc/06/41/50/1368064150.db2.gz TVZHHUZVTCDSBY-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CC1CCC(C[N@@H+](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001193569301 1368063607 /nfs/dbraw/zinc/06/36/07/1368063607.db2.gz AJFCUZFKBJCQBC-CTWPCTMYSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C)CC(C)(C)C ZINC001111028584 1368145835 /nfs/dbraw/zinc/14/58/35/1368145835.db2.gz HPPAHLOKPDMDDW-ZACQAIPSSA-N 2 1 337.552 3.122 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C)CC(C)(C)C ZINC001111028584 1368145839 /nfs/dbraw/zinc/14/58/39/1368145839.db2.gz HPPAHLOKPDMDDW-ZACQAIPSSA-N 2 1 337.552 3.122 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C)CC(C)(C)C ZINC001111028584 1368145843 /nfs/dbraw/zinc/14/58/43/1368145843.db2.gz HPPAHLOKPDMDDW-ZACQAIPSSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111025237 1368145890 /nfs/dbraw/zinc/14/58/90/1368145890.db2.gz SMEDIRIYDUKVJY-KURKYZTESA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001111025237 1368145893 /nfs/dbraw/zinc/14/58/93/1368145893.db2.gz SMEDIRIYDUKVJY-KURKYZTESA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001111025237 1368145899 /nfs/dbraw/zinc/14/58/99/1368145899.db2.gz SMEDIRIYDUKVJY-KURKYZTESA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCCC1)[NH+](C)C ZINC001111037125 1368146824 /nfs/dbraw/zinc/14/68/24/1368146824.db2.gz LPLLLHYPUWQJLG-ZRNYENFQSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228038 1368212536 /nfs/dbraw/zinc/21/25/36/1368212536.db2.gz PIWOYIYWLIPABG-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228042 1368213158 /nfs/dbraw/zinc/21/31/58/1368213158.db2.gz PIWOYIYWLIPABG-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194296253 1368225277 /nfs/dbraw/zinc/22/52/77/1368225277.db2.gz YRACARQBAZDBCJ-RBUKOAKNSA-N 2 1 331.504 3.011 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194296253 1368225290 /nfs/dbraw/zinc/22/52/90/1368225290.db2.gz YRACARQBAZDBCJ-RBUKOAKNSA-N 2 1 331.504 3.011 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194296253 1368225292 /nfs/dbraw/zinc/22/52/92/1368225292.db2.gz YRACARQBAZDBCJ-RBUKOAKNSA-N 2 1 331.504 3.011 20 0 EGADMP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449140 1368264579 /nfs/dbraw/zinc/26/45/79/1368264579.db2.gz PVTRUTYCEALTAT-RRFGBZISSA-N 2 1 343.515 3.007 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449140 1368264582 /nfs/dbraw/zinc/26/45/82/1368264582.db2.gz PVTRUTYCEALTAT-RRFGBZISSA-N 2 1 343.515 3.007 20 0 EGADMP CC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194449140 1368264589 /nfs/dbraw/zinc/26/45/89/1368264589.db2.gz PVTRUTYCEALTAT-RRFGBZISSA-N 2 1 343.515 3.007 20 0 EGADMP CC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194449140 1368264591 /nfs/dbraw/zinc/26/45/91/1368264591.db2.gz PVTRUTYCEALTAT-RRFGBZISSA-N 2 1 343.515 3.007 20 0 EGADMP C[NH+](CCC(C)(C)C)[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194448349 1368264674 /nfs/dbraw/zinc/26/46/74/1368264674.db2.gz CFZAEMCVHCWPKO-IBGZPJMESA-N 2 1 345.531 3.087 20 0 EGADMP C[NH+](CCC(C)(C)C)[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194448349 1368264679 /nfs/dbraw/zinc/26/46/79/1368264679.db2.gz CFZAEMCVHCWPKO-IBGZPJMESA-N 2 1 345.531 3.087 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1)Cc1ccccc1 ZINC001194448349 1368264686 /nfs/dbraw/zinc/26/46/86/1368264686.db2.gz CFZAEMCVHCWPKO-IBGZPJMESA-N 2 1 345.531 3.087 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1)Cc1ccccc1 ZINC001194448349 1368264688 /nfs/dbraw/zinc/26/46/88/1368264688.db2.gz CFZAEMCVHCWPKO-IBGZPJMESA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111416313 1368303785 /nfs/dbraw/zinc/30/37/85/1368303785.db2.gz LVTQGFRNESGQFA-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467289 1368311339 /nfs/dbraw/zinc/31/13/39/1368311339.db2.gz DJBSZMXBFCDJGD-ZRNYENFQSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[C@@H](C)C1 ZINC001195179722 1368394845 /nfs/dbraw/zinc/39/48/45/1368394845.db2.gz PFKLDWDYOVNDSD-JYRKZWEQSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[C@@H](C)C1 ZINC001195179722 1368394849 /nfs/dbraw/zinc/39/48/49/1368394849.db2.gz PFKLDWDYOVNDSD-JYRKZWEQSA-N 2 1 330.516 3.428 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001111846976 1368501101 /nfs/dbraw/zinc/50/11/01/1368501101.db2.gz GIDXQWKOJCERQV-ZJOUEHCJSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001111846976 1368501105 /nfs/dbraw/zinc/50/11/05/1368501105.db2.gz GIDXQWKOJCERQV-ZJOUEHCJSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001111846976 1368501111 /nfs/dbraw/zinc/50/11/11/1368501111.db2.gz GIDXQWKOJCERQV-ZJOUEHCJSA-N 2 1 349.563 3.269 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855771 1368508670 /nfs/dbraw/zinc/50/86/70/1368508670.db2.gz LVLVIWIKQDXBDF-ZETQTWJXSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)C[C@@H](C)n2ccnc2CC)CC1 ZINC001195899984 1368513173 /nfs/dbraw/zinc/51/31/73/1368513173.db2.gz FYIPZHUKWQGOCK-HPFMTEOYSA-N 2 1 346.519 3.287 20 0 EGADMP CC/C=C\CC[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001195899984 1368513181 /nfs/dbraw/zinc/51/31/81/1368513181.db2.gz FYIPZHUKWQGOCK-HPFMTEOYSA-N 2 1 346.519 3.287 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001195899984 1368513182 /nfs/dbraw/zinc/51/31/82/1368513182.db2.gz FYIPZHUKWQGOCK-HPFMTEOYSA-N 2 1 346.519 3.287 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001111869822 1368517234 /nfs/dbraw/zinc/51/72/34/1368517234.db2.gz LTPYLMXGLWRIKL-NSHGMRRFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001111873334 1368519827 /nfs/dbraw/zinc/51/98/27/1368519827.db2.gz VUMLAZQLGCEFAV-RXVVDRJESA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001111873334 1368519831 /nfs/dbraw/zinc/51/98/31/1368519831.db2.gz VUMLAZQLGCEFAV-RXVVDRJESA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001111873334 1368519834 /nfs/dbraw/zinc/51/98/34/1368519834.db2.gz VUMLAZQLGCEFAV-RXVVDRJESA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001196060214 1368541524 /nfs/dbraw/zinc/54/15/24/1368541524.db2.gz OVLQZVLLFVUXKG-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](C[C@@H](C)CC(C)C)CC1 ZINC001196060214 1368541526 /nfs/dbraw/zinc/54/15/26/1368541526.db2.gz OVLQZVLLFVUXKG-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](C[C@@H](C)CC(C)C)CC1 ZINC001196060214 1368541529 /nfs/dbraw/zinc/54/15/29/1368541529.db2.gz OVLQZVLLFVUXKG-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCC1)C2 ZINC001112002419 1368607138 /nfs/dbraw/zinc/60/71/38/1368607138.db2.gz GDPNNMOTZLYRGC-FPOVZHCZSA-N 2 1 347.547 3.023 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112006044 1368608463 /nfs/dbraw/zinc/60/84/63/1368608463.db2.gz DXOCHXJUWIFLFD-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112020671 1368623280 /nfs/dbraw/zinc/62/32/80/1368623280.db2.gz SVCSSXPVAUPLBK-FPOVZHCZSA-N 2 1 347.547 3.189 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112020523 1368623314 /nfs/dbraw/zinc/62/33/14/1368623314.db2.gz LXLQCERCHBFWJE-ICSRJNTNSA-N 2 1 335.536 3.023 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[NH+](CCCC(C)(C)C)CC2)CC[N@H+]1C ZINC001196919065 1368713928 /nfs/dbraw/zinc/71/39/28/1368713928.db2.gz XNJKVFCLYNGKBJ-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[N@H+](CCCC(C)(C)C)CC2)CC[NH+]1C ZINC001196919065 1368713934 /nfs/dbraw/zinc/71/39/34/1368713934.db2.gz XNJKVFCLYNGKBJ-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[N@@H+](CCCC(C)(C)C)CC2)CC[NH+]1C ZINC001196919065 1368713936 /nfs/dbraw/zinc/71/39/36/1368713936.db2.gz XNJKVFCLYNGKBJ-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CCC[N@@H+](CC2=CCCCC2)CC1)[NH+](CC)CC ZINC001197134680 1368751637 /nfs/dbraw/zinc/75/16/37/1368751637.db2.gz VDZIHAAMBALNMA-IBGZPJMESA-N 2 1 335.536 3.142 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)C(C)C ZINC001197484768 1368823966 /nfs/dbraw/zinc/82/39/66/1368823966.db2.gz JEFLOQUTJFPKNJ-HXUWFJFHSA-N 2 1 345.531 3.087 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)C(C)C ZINC001197484766 1368824533 /nfs/dbraw/zinc/82/45/33/1368824533.db2.gz JEFLOQUTJFPKNJ-FQEVSTJZSA-N 2 1 345.531 3.087 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCCN(C(=O)CC[NH+](C)CC)CC1 ZINC001197692362 1368874652 /nfs/dbraw/zinc/87/46/52/1368874652.db2.gz UYBOVBVKNAMBRJ-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001197692362 1368874656 /nfs/dbraw/zinc/87/46/56/1368874656.db2.gz UYBOVBVKNAMBRJ-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001197692362 1368874660 /nfs/dbraw/zinc/87/46/60/1368874660.db2.gz UYBOVBVKNAMBRJ-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP CCc1cccc(C[N@H+]2CCCN(C(=O)CCCC[NH+](C)C)CC2)c1 ZINC001197886704 1368919817 /nfs/dbraw/zinc/91/98/17/1368919817.db2.gz ZAAVFIZHJQJSPU-UHFFFAOYSA-N 2 1 345.531 3.015 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001197899191 1368922132 /nfs/dbraw/zinc/92/21/32/1368922132.db2.gz PTHWPAOEBGXHKZ-KRWDZBQOSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001197899191 1368922136 /nfs/dbraw/zinc/92/21/36/1368922136.db2.gz PTHWPAOEBGXHKZ-KRWDZBQOSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@H+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001197899191 1368922139 /nfs/dbraw/zinc/92/21/39/1368922139.db2.gz PTHWPAOEBGXHKZ-KRWDZBQOSA-N 2 1 349.494 3.153 20 0 EGADMP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001112567331 1368931003 /nfs/dbraw/zinc/93/10/03/1368931003.db2.gz JCCKMGGFOTXQPG-ICSRJNTNSA-N 2 1 337.552 3.127 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001198259868 1368992096 /nfs/dbraw/zinc/99/20/96/1368992096.db2.gz SHLKCLBGFMQVCG-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001198259868 1368992100 /nfs/dbraw/zinc/99/21/00/1368992100.db2.gz SHLKCLBGFMQVCG-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001198259868 1368992105 /nfs/dbraw/zinc/99/21/05/1368992105.db2.gz SHLKCLBGFMQVCG-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001112864800 1369055608 /nfs/dbraw/zinc/05/56/08/1369055608.db2.gz DAPIBOPJMQVRQU-QZTJIDSGSA-N 2 1 348.535 3.223 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC([NH2+]CCC(C)C)CC1 ZINC001200644492 1369404835 /nfs/dbraw/zinc/40/48/35/1369404835.db2.gz NIPPMFTXCZBRJV-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001113438946 1369429096 /nfs/dbraw/zinc/42/90/96/1369429096.db2.gz QIJSWCYRHBEACV-IBGZPJMESA-N 2 1 345.531 3.404 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001113438946 1369429100 /nfs/dbraw/zinc/42/91/00/1369429100.db2.gz QIJSWCYRHBEACV-IBGZPJMESA-N 2 1 345.531 3.404 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001113571549 1369497284 /nfs/dbraw/zinc/49/72/84/1369497284.db2.gz UFQCLLQUONWUIH-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[NH+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001113571286 1369497315 /nfs/dbraw/zinc/49/73/15/1369497315.db2.gz GFFQSVILLFXHAV-MOPGFXCFSA-N 2 1 337.552 3.079 20 0 EGADMP CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001201230944 1369501118 /nfs/dbraw/zinc/50/11/18/1369501118.db2.gz YOCGFJQDKZQBQN-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001201378024 1369530786 /nfs/dbraw/zinc/53/07/86/1369530786.db2.gz AGZOYMXERHCGBA-MRXNPFEDSA-N 2 1 337.552 3.266 20 0 EGADMP Cn1cc(C[N@H+]2CCCC23CC[NH+](C[C@H]2CC=CCC2)CC3)cn1 ZINC001201412799 1369539402 /nfs/dbraw/zinc/53/94/02/1369539402.db2.gz YPBDKRCALBULLR-SFHVURJKSA-N 2 1 328.504 3.207 20 0 EGADMP COc1nccc(N)c1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201474315 1369552807 /nfs/dbraw/zinc/55/28/07/1369552807.db2.gz DZOLAJJAXUGSSD-SJORKVTESA-N 2 1 336.439 3.405 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001201502339 1369558313 /nfs/dbraw/zinc/55/83/13/1369558313.db2.gz HPOHVZHVZRCKHA-AZUAARDMSA-N 2 1 345.531 3.431 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001201618454 1369591508 /nfs/dbraw/zinc/59/15/08/1369591508.db2.gz XYJKLUZNBQNOCH-VAMGGRTRSA-N 2 1 338.536 3.013 20 0 EGADMP CSCCC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001201680154 1369604436 /nfs/dbraw/zinc/60/44/36/1369604436.db2.gz BKEJBCGPNWWSOW-LJQANCHMSA-N 2 1 348.556 3.495 20 0 EGADMP CCCC[NH+]1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001201723071 1369610393 /nfs/dbraw/zinc/61/03/93/1369610393.db2.gz QBDHEPFYOQFPGF-UHFFFAOYSA-N 2 1 339.524 3.240 20 0 EGADMP COc1cc2c(cc1CN[C@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)OCO2 ZINC001201947037 1369649253 /nfs/dbraw/zinc/64/92/53/1369649253.db2.gz QJAGLRWATMQSMX-HUUCEWRRSA-N 2 1 346.471 3.167 20 0 EGADMP COc1cc2c(cc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C3CCC3)C1)OCO2 ZINC001201947037 1369649260 /nfs/dbraw/zinc/64/92/60/1369649260.db2.gz QJAGLRWATMQSMX-HUUCEWRRSA-N 2 1 346.471 3.167 20 0 EGADMP COc1cc2c(cc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)OCO2 ZINC001201947037 1369649265 /nfs/dbraw/zinc/64/92/65/1369649265.db2.gz QJAGLRWATMQSMX-HUUCEWRRSA-N 2 1 346.471 3.167 20 0 EGADMP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001202144798 1369700656 /nfs/dbraw/zinc/70/06/56/1369700656.db2.gz JLNPFNXQQQZIEE-XFHJGTJQSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001202496489 1369789967 /nfs/dbraw/zinc/78/99/67/1369789967.db2.gz SSUWBYOTDVRWME-KRWDZBQOSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+](CC(=O)N1CCC([NH2+]CC2=CCCCC2)CC1)CC(C)(C)C ZINC001202527156 1369799821 /nfs/dbraw/zinc/79/98/21/1369799821.db2.gz YYDAFSGKVPJWBX-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001202872596 1369914305 /nfs/dbraw/zinc/91/43/05/1369914305.db2.gz IUPDAKUOFZFRHO-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001114502366 1369977320 /nfs/dbraw/zinc/97/73/20/1369977320.db2.gz SRWOULZVEQMWSE-ZKXHPHHLSA-N 2 1 347.547 3.042 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2C(NC(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1 ZINC001114502366 1369977322 /nfs/dbraw/zinc/97/73/22/1369977322.db2.gz SRWOULZVEQMWSE-ZKXHPHHLSA-N 2 1 347.547 3.042 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2C(NC(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001114502366 1369977326 /nfs/dbraw/zinc/97/73/26/1369977326.db2.gz SRWOULZVEQMWSE-ZKXHPHHLSA-N 2 1 347.547 3.042 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C12CCC2 ZINC001203100932 1369983185 /nfs/dbraw/zinc/98/31/85/1369983185.db2.gz BVUODTUCTPNMRC-MSOLQXFVSA-N 2 1 347.547 3.066 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203102240 1369983463 /nfs/dbraw/zinc/98/34/63/1369983463.db2.gz HDSVVNXOWCIJEP-HOTGVXAUSA-N 2 1 337.552 3.170 20 0 EGADMP Cn1cccc1C[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001203259885 1370047018 /nfs/dbraw/zinc/04/70/18/1370047018.db2.gz LYMYOIBFGXOJII-IBGZPJMESA-N 2 1 327.472 3.495 20 0 EGADMP CCCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428239 1370121737 /nfs/dbraw/zinc/12/17/37/1370121737.db2.gz XFJXBUVXXACDHY-IRXDYDNUSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]CC2CCC(C)CC2)CC1 ZINC001203442656 1370128691 /nfs/dbraw/zinc/12/86/91/1370128691.db2.gz KVIHBVUMADBWTC-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC)C12CCC2 ZINC001203506499 1370148507 /nfs/dbraw/zinc/14/85/07/1370148507.db2.gz JLMXARPXKZPCIQ-ZWKOTPCHSA-N 2 1 337.552 3.316 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203652690 1370202419 /nfs/dbraw/zinc/20/24/19/1370202419.db2.gz WPPHHLDQTJEFIV-DLBZAZTESA-N 2 1 337.552 3.172 20 0 EGADMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)ccc3C)CC2)C1 ZINC001203752068 1370249220 /nfs/dbraw/zinc/24/92/20/1370249220.db2.gz QAALDHGJEQRFRL-SFHVURJKSA-N 2 1 344.499 3.153 20 0 EGADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)ccc3C)CC2)C1 ZINC001203752068 1370249221 /nfs/dbraw/zinc/24/92/21/1370249221.db2.gz QAALDHGJEQRFRL-SFHVURJKSA-N 2 1 344.499 3.153 20 0 EGADMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001203784434 1370263107 /nfs/dbraw/zinc/26/31/07/1370263107.db2.gz BJOHTEDPWVQILA-UYAOXDASSA-N 2 1 332.463 3.006 20 0 EGADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001203784434 1370263109 /nfs/dbraw/zinc/26/31/09/1370263109.db2.gz BJOHTEDPWVQILA-UYAOXDASSA-N 2 1 332.463 3.006 20 0 EGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC001203784434 1370263113 /nfs/dbraw/zinc/26/31/13/1370263113.db2.gz BJOHTEDPWVQILA-UYAOXDASSA-N 2 1 332.463 3.006 20 0 EGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC001203784434 1370263119 /nfs/dbraw/zinc/26/31/19/1370263119.db2.gz BJOHTEDPWVQILA-UYAOXDASSA-N 2 1 332.463 3.006 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203791184 1370266403 /nfs/dbraw/zinc/26/64/03/1370266403.db2.gz DUWBOGYQQUBHTK-OALUTQOASA-N 2 1 349.563 3.314 20 0 EGADMP CCOc1cc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)ccc1O ZINC001204130428 1370385010 /nfs/dbraw/zinc/38/50/10/1370385010.db2.gz DNCVNHYREHTZKA-UHFFFAOYSA-N 2 1 341.455 3.233 20 0 EGADMP CC(C)(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCCC1 ZINC001115338949 1370394989 /nfs/dbraw/zinc/39/49/89/1370394989.db2.gz XESHIPZOFUKHPS-RUYXUALKSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001115338587 1370395156 /nfs/dbraw/zinc/39/51/56/1370395156.db2.gz ODPMSQMNPOVWSU-GJPWGKPRSA-N 2 1 347.547 3.045 20 0 EGADMP CNc1ccc(C)cc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001204422913 1370473374 /nfs/dbraw/zinc/47/33/74/1370473374.db2.gz USGNIWPNIVFLBV-KDURUIRLSA-N 2 1 344.547 3.027 20 0 EGADMP CNc1ccc(C)cc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001204422913 1370473378 /nfs/dbraw/zinc/47/33/78/1370473378.db2.gz USGNIWPNIVFLBV-KDURUIRLSA-N 2 1 344.547 3.027 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735076 1370558342 /nfs/dbraw/zinc/55/83/42/1370558342.db2.gz KWQOJJNOMGHLAF-UHFFFAOYSA-N 2 1 325.456 3.209 20 0 EGADMP COc1ccc(Cl)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1F ZINC001204735229 1370559252 /nfs/dbraw/zinc/55/92/52/1370559252.db2.gz PAVXMTUBFZSGSO-UHFFFAOYSA-N 2 1 326.843 3.453 20 0 EGADMP Cc1cc(C[N@@H+]2CCO[C@H](CC[NH3+])C2)ccc1Oc1ccccc1 ZINC001204757278 1370568819 /nfs/dbraw/zinc/56/88/19/1370568819.db2.gz XTNNEHWJWKJSHU-LJQANCHMSA-N 2 1 326.440 3.337 20 0 EGADMP Cc1cc(C[N@H+]2CCO[C@H](CC[NH3+])C2)ccc1Oc1ccccc1 ZINC001204757278 1370568822 /nfs/dbraw/zinc/56/88/22/1370568822.db2.gz XTNNEHWJWKJSHU-LJQANCHMSA-N 2 1 326.440 3.337 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001115571784 1370573814 /nfs/dbraw/zinc/57/38/14/1370573814.db2.gz OQJCPEDPTUYJIE-GOSISDBHSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)CCC[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCCCC1 ZINC001115574534 1370577723 /nfs/dbraw/zinc/57/77/23/1370577723.db2.gz AUGSZYOXTLCKOI-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP CC[C@H]([NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC001204798797 1370578220 /nfs/dbraw/zinc/57/82/20/1370578220.db2.gz OGOJYCSPCQOATF-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)Cc1ccccc1Br ZINC001204877766 1370595192 /nfs/dbraw/zinc/59/51/92/1370595192.db2.gz PFFXGWMJELVMMQ-AAEUAGOBSA-N 2 1 347.247 3.372 20 0 EGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)Cc1ccccc1Br ZINC001204877766 1370595194 /nfs/dbraw/zinc/59/51/94/1370595194.db2.gz PFFXGWMJELVMMQ-AAEUAGOBSA-N 2 1 347.247 3.372 20 0 EGADMP COc1ccc(CC[N@@H+](CCC[NH2+]C2CCCCC2)C[C@H](C)O)cc1 ZINC001204896867 1370599948 /nfs/dbraw/zinc/59/99/48/1370599948.db2.gz QRDWMFLVCSIXDU-SFHVURJKSA-N 2 1 348.531 3.233 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115601722 1370601069 /nfs/dbraw/zinc/60/10/69/1370601069.db2.gz OQQQBJJSPAEWKX-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(C)c3C)CC2)C1 ZINC001205096178 1370648362 /nfs/dbraw/zinc/64/83/62/1370648362.db2.gz VKSWVLZOZRDIFM-IBGZPJMESA-N 2 1 344.499 3.153 20 0 EGADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(C)c3C)CC2)C1 ZINC001205096178 1370648365 /nfs/dbraw/zinc/64/83/65/1370648365.db2.gz VKSWVLZOZRDIFM-IBGZPJMESA-N 2 1 344.499 3.153 20 0 EGADMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(C)c3C)CC2)C1 ZINC001205096179 1370648998 /nfs/dbraw/zinc/64/89/98/1370648998.db2.gz VKSWVLZOZRDIFM-LJQANCHMSA-N 2 1 344.499 3.153 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(C)c3C)CC2)C1 ZINC001205096179 1370649002 /nfs/dbraw/zinc/64/90/02/1370649002.db2.gz VKSWVLZOZRDIFM-LJQANCHMSA-N 2 1 344.499 3.153 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3C[C@H](C)[C@H](C[NH3+])C3)cc2)cc1 ZINC001205151435 1370664276 /nfs/dbraw/zinc/66/42/76/1370664276.db2.gz UMFHWQZAPFRGNW-MGPUTAFESA-N 2 1 338.451 3.167 20 0 EGADMP C[NH+](C)CCCOc1ccc(-c2ccc3c(c2)CC[N@H+](C)C3)cn1 ZINC001205240244 1370692275 /nfs/dbraw/zinc/69/22/75/1370692275.db2.gz WONVYJHGDQGZBM-UHFFFAOYSA-N 2 1 325.456 3.067 20 0 EGADMP CC(C)CCC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115729929 1370711880 /nfs/dbraw/zinc/71/18/80/1370711880.db2.gz YHUVIMWNAQBVFM-GOSISDBHSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115730453 1370713328 /nfs/dbraw/zinc/71/33/28/1370713328.db2.gz JVCAPYDIOXUAPA-HKUYNNGSSA-N 2 1 349.563 3.173 20 0 EGADMP CCCCCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115730431 1370713372 /nfs/dbraw/zinc/71/33/72/1370713372.db2.gz JPMLGIZHZBSEPI-QZTJIDSGSA-N 2 1 337.552 3.173 20 0 EGADMP CCCCC[NH2+]C1(CNC(=O)C[N@H+]2CCC(C)(C)C2)CCCCC1 ZINC001115731079 1370713982 /nfs/dbraw/zinc/71/39/82/1370713982.db2.gz YCDDZEUQXIFBGY-UHFFFAOYSA-N 2 1 337.552 3.317 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc3ccc(Br)cc3[nH]2)C[C@H]1C[NH3+] ZINC001205304709 1370715520 /nfs/dbraw/zinc/71/55/20/1370715520.db2.gz PGIKLWQJVUOKFA-WCQYABFASA-N 2 1 336.277 3.347 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cnc3cc(Br)ccc3c2)C[C@H]1C[NH3+] ZINC001205319478 1370720945 /nfs/dbraw/zinc/72/09/45/1370720945.db2.gz ZXKXGXKYAPUCHL-SWLSCSKDSA-N 2 1 348.288 3.414 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115759767 1370743363 /nfs/dbraw/zinc/74/33/63/1370743363.db2.gz GQVLOTQVRRUZQH-IBGZPJMESA-N 2 1 349.563 3.458 20 0 EGADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1)C1CCC1 ZINC001205469760 1370764991 /nfs/dbraw/zinc/76/49/91/1370764991.db2.gz WTMNOUSEZXUBNK-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205518742 1370778786 /nfs/dbraw/zinc/77/87/86/1370778786.db2.gz JLOUPPQGEDKAHV-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001205526520 1370781917 /nfs/dbraw/zinc/78/19/17/1370781917.db2.gz YODWNQSUZREEMW-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(Cl)c1OC ZINC001205558386 1370791094 /nfs/dbraw/zinc/79/10/94/1370791094.db2.gz DTGACNVYWHMDNL-INIZCTEOSA-N 2 1 330.831 3.010 20 0 EGADMP COc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205570522 1370794985 /nfs/dbraw/zinc/79/49/85/1370794985.db2.gz KXSMMOHPQSUJOO-HNNXBMFYSA-N 2 1 334.357 3.367 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(C(F)(F)F)cnc2Cl)CC1 ZINC001205582170 1370799827 /nfs/dbraw/zinc/79/98/27/1370799827.db2.gz XFIPWDYIVIVHNX-ZDUSSCGKSA-N 2 1 339.764 3.407 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(C(F)(F)F)cnc2Cl)CC1 ZINC001205582170 1370799829 /nfs/dbraw/zinc/79/98/29/1370799829.db2.gz XFIPWDYIVIVHNX-ZDUSSCGKSA-N 2 1 339.764 3.407 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)cs2)cc1 ZINC001205591234 1370802719 /nfs/dbraw/zinc/80/27/19/1370802719.db2.gz ICZWDQUEQGZSBJ-GOSISDBHSA-N 2 1 349.475 3.472 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205618262 1370812387 /nfs/dbraw/zinc/81/23/87/1370812387.db2.gz TYOUOTVRFKYJGB-CHWSQXEVSA-N 2 1 346.393 3.401 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1Br ZINC001205617477 1370812521 /nfs/dbraw/zinc/81/25/21/1370812521.db2.gz KFXGDSMMWARILV-GXTWGEPZSA-N 2 1 341.293 3.265 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205618421 1370812535 /nfs/dbraw/zinc/81/25/35/1370812535.db2.gz VVJITXKONMBNDX-UZLBHIALSA-N 2 1 340.515 3.355 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(OC(F)(F)F)c1 ZINC001205627169 1370816436 /nfs/dbraw/zinc/81/64/36/1370816436.db2.gz NKIKXKIWQRJQSM-CHWSQXEVSA-N 2 1 346.393 3.401 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)cnc2Br)CC[C@@H]1C[NH3+] ZINC001205639495 1370823445 /nfs/dbraw/zinc/82/34/45/1370823445.db2.gz ZNEKZJSFGLGTIP-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cc(Cl)cnc2Br)CC[C@@H]1C[NH3+] ZINC001205639495 1370823442 /nfs/dbraw/zinc/82/34/42/1370823442.db2.gz ZNEKZJSFGLGTIP-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)cc21 ZINC001205651903 1370829184 /nfs/dbraw/zinc/82/91/84/1370829184.db2.gz LNZBQXVKJMDHOL-QFBILLFUSA-N 3 1 327.516 3.495 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2csc(-c3ccc(O)cc3)n2)CC[C@H]1C[NH3+] ZINC001205653727 1370829639 /nfs/dbraw/zinc/82/96/39/1370829639.db2.gz UUALZABEMNQWFN-ZFWWWQNUSA-N 2 1 331.485 3.323 20 0 EGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205662655 1370833661 /nfs/dbraw/zinc/83/36/61/1370833661.db2.gz CWZXLBJSSCFZJQ-UWJYYQICSA-N 2 1 332.532 3.338 20 0 EGADMP COc1ccc(-c2ccc(C[N@H+]3CCCC[C@@](O)(C[NH3+])C3)cc2)cc1 ZINC001205672339 1370837583 /nfs/dbraw/zinc/83/75/83/1370837583.db2.gz IZVAJNUALIJYPZ-OAQYLSRUSA-N 2 1 340.467 3.038 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001205717036 1370850830 /nfs/dbraw/zinc/85/08/30/1370850830.db2.gz OEYBYKZULYUATD-HRCADAONSA-N 2 1 339.524 3.142 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001205717036 1370850838 /nfs/dbraw/zinc/85/08/38/1370850838.db2.gz OEYBYKZULYUATD-HRCADAONSA-N 2 1 339.524 3.142 20 0 EGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001325966639 1388098732 /nfs/dbraw/zinc/09/87/32/1388098732.db2.gz ZSXTXEKBWKICPY-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3F)nc2)CCC[C@@H]1C[NH3+] ZINC001206003287 1370935690 /nfs/dbraw/zinc/93/56/90/1370935690.db2.gz GJGATBOCVAHXHX-GDBMZVCRSA-N 2 1 328.435 3.090 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(Oc3ncccn3)cc2)CCC[C@@H]1C[NH3+] ZINC001206005877 1370936522 /nfs/dbraw/zinc/93/65/22/1370936522.db2.gz ZDOKBKVDZIQKTF-DOTOQJQBSA-N 2 1 326.444 3.076 20 0 EGADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(Cl)c1 ZINC001206013053 1370937774 /nfs/dbraw/zinc/93/77/74/1370937774.db2.gz PBVCDGSTRNIOFG-HIFRSBDPSA-N 2 1 338.879 3.324 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CCC[C@@H]1C[NH3+] ZINC001206028773 1370943357 /nfs/dbraw/zinc/94/33/57/1370943357.db2.gz ZALPYBZBGZCQIA-QWHCGFSZSA-N 2 1 334.414 3.162 20 0 EGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C ZINC001206056944 1370950044 /nfs/dbraw/zinc/95/00/44/1370950044.db2.gz WVOOGVJRBRPTLU-OAHLLOKOSA-N 2 1 329.529 3.247 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C ZINC001206056944 1370950046 /nfs/dbraw/zinc/95/00/46/1370950046.db2.gz WVOOGVJRBRPTLU-OAHLLOKOSA-N 2 1 329.529 3.247 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)CC[C@H]1F ZINC001206174850 1370980365 /nfs/dbraw/zinc/98/03/65/1370980365.db2.gz PVRDINOWMSIFEV-HUUCEWRRSA-N 2 1 334.826 3.058 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(O)c(OCc3ccccc3)c2)CC[C@@H]1F ZINC001206209039 1370993568 /nfs/dbraw/zinc/99/35/68/1370993568.db2.gz AGBASJIWODVRFH-ZWKOTPCHSA-N 2 1 344.430 3.232 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(O)c(OCc3ccccc3)c2)CC[C@@H]1F ZINC001206209039 1370993569 /nfs/dbraw/zinc/99/35/69/1370993569.db2.gz AGBASJIWODVRFH-ZWKOTPCHSA-N 2 1 344.430 3.232 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001206274579 1371009676 /nfs/dbraw/zinc/00/96/76/1371009676.db2.gz JVBGDYACDQGVOL-SFHVURJKSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]CCC3=CCCCC3)CC2)C1 ZINC001206274252 1371009994 /nfs/dbraw/zinc/00/99/94/1371009994.db2.gz GDOXZQTUNVOGFS-SFHVURJKSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cnc(-c3ccccc3F)nc2)C1 ZINC001206556217 1371092417 /nfs/dbraw/zinc/09/24/17/1371092417.db2.gz ORCASOXFUDTCMI-LJQANCHMSA-N 2 1 328.435 3.234 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@H+](C)C(C)C)CC2)c1 ZINC001206954465 1371244660 /nfs/dbraw/zinc/24/46/60/1371244660.db2.gz KARWMBFPLICZDD-SFHVURJKSA-N 2 1 345.531 3.224 20 0 EGADMP COc1ccccc1N1CCC([NH2+][C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001119238029 1371287833 /nfs/dbraw/zinc/28/78/33/1371287833.db2.gz VUQQIYMQFWHPLH-ZWKOTPCHSA-N 2 1 331.504 3.126 20 0 EGADMP CC1(C)C[C@@H](C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CCO1 ZINC001207353287 1371369798 /nfs/dbraw/zinc/36/97/98/1371369798.db2.gz FJRLXXKGBKASEB-YESZJQIVSA-N 2 1 334.529 3.317 20 0 EGADMP CC1(C)C[C@@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CCO1 ZINC001207353287 1371369800 /nfs/dbraw/zinc/36/98/00/1371369800.db2.gz FJRLXXKGBKASEB-YESZJQIVSA-N 2 1 334.529 3.317 20 0 EGADMP CC1(C)C[C@@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)CCO1 ZINC001207353287 1371369811 /nfs/dbraw/zinc/36/98/11/1371369811.db2.gz FJRLXXKGBKASEB-YESZJQIVSA-N 2 1 334.529 3.317 20 0 EGADMP CC1(C)C[C@@H](C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)CCO1 ZINC001207353287 1371369818 /nfs/dbraw/zinc/36/98/18/1371369818.db2.gz FJRLXXKGBKASEB-YESZJQIVSA-N 2 1 334.529 3.317 20 0 EGADMP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](CC2CC[NH2+]CC2)CC3)c1 ZINC001207435354 1371395837 /nfs/dbraw/zinc/39/58/37/1371395837.db2.gz MEANEIHVAVFWMU-UHFFFAOYSA-N 3 1 333.545 3.036 20 0 EGADMP Fc1ccc(C[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)CC2(F)F)cc1 ZINC001207442241 1371396794 /nfs/dbraw/zinc/39/67/94/1371396794.db2.gz VGFIDDFFKJZFOW-INIZCTEOSA-N 2 1 326.406 3.325 20 0 EGADMP Fc1ccc(C[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)CC2(F)F)cc1 ZINC001207442241 1371396795 /nfs/dbraw/zinc/39/67/95/1371396795.db2.gz VGFIDDFFKJZFOW-INIZCTEOSA-N 2 1 326.406 3.325 20 0 EGADMP CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207440877 1371396906 /nfs/dbraw/zinc/39/69/06/1371396906.db2.gz IUZRPSQMYQZPSP-UHFFFAOYSA-N 2 1 345.487 3.391 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001207480138 1371408772 /nfs/dbraw/zinc/40/87/72/1371408772.db2.gz UTAJPUGFPTUPSV-QGZVFWFLSA-N 2 1 339.524 3.098 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207486898 1371411275 /nfs/dbraw/zinc/41/12/75/1371411275.db2.gz OSYMWJUHCYFJHZ-WBVHZDCISA-N 2 1 339.524 3.096 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001207541201 1371430114 /nfs/dbraw/zinc/43/01/14/1371430114.db2.gz YBWFCDRIPATWIL-ODWICZQRSA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001207541201 1371430116 /nfs/dbraw/zinc/43/01/16/1371430116.db2.gz YBWFCDRIPATWIL-ODWICZQRSA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001207541201 1371430118 /nfs/dbraw/zinc/43/01/18/1371430118.db2.gz YBWFCDRIPATWIL-ODWICZQRSA-N 2 1 349.563 3.432 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC3CCCCC3)CCCCC2)C1 ZINC001120009584 1371453635 /nfs/dbraw/zinc/45/36/35/1371453635.db2.gz AMYATEHTMVJDJJ-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](C[C@@H]2C[C@H]4C=C[C@@H]2C4)CC3)n1 ZINC001207626736 1371457076 /nfs/dbraw/zinc/45/70/76/1371457076.db2.gz KRQLFCWIZQVNIY-OTWHNJEPSA-N 2 1 340.515 3.063 20 0 EGADMP Cn1ccc(C[N@H+]2CCCC23CC[NH+](C[C@@H]2C[C@H]4C=C[C@@H]2C4)CC3)n1 ZINC001207626736 1371457078 /nfs/dbraw/zinc/45/70/78/1371457078.db2.gz KRQLFCWIZQVNIY-OTWHNJEPSA-N 2 1 340.515 3.063 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]CCCC(C)C)CCCCC1 ZINC001120141055 1371494148 /nfs/dbraw/zinc/49/41/48/1371494148.db2.gz QYAUXMRRQJGRGB-UHFFFAOYSA-N 2 1 334.508 3.036 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001120207754 1371504124 /nfs/dbraw/zinc/50/41/24/1371504124.db2.gz DLQOEKWAQOCYFA-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP CCC/C=C\CC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCCC1 ZINC001120207957 1371505324 /nfs/dbraw/zinc/50/53/24/1371505324.db2.gz NZITWTBAGJDHQA-FPLPWBNLSA-N 2 1 337.552 3.482 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C[C@@H](C)c1ccccc1)C2 ZINC001207904321 1371533114 /nfs/dbraw/zinc/53/31/14/1371533114.db2.gz CPKCATFLABDOFA-COPCDDAFSA-N 2 1 342.527 3.470 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C[C@@H](C)c1ccccc1)C2 ZINC001207904321 1371533118 /nfs/dbraw/zinc/53/31/18/1371533118.db2.gz CPKCATFLABDOFA-COPCDDAFSA-N 2 1 342.527 3.470 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C[C@@H](C)c1ccccc1)C2 ZINC001207904321 1371533121 /nfs/dbraw/zinc/53/31/21/1371533121.db2.gz CPKCATFLABDOFA-COPCDDAFSA-N 2 1 342.527 3.470 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CCC2CC2)C1 ZINC001120450588 1371580961 /nfs/dbraw/zinc/58/09/61/1371580961.db2.gz WUEPSAAYHSUVOL-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CCC2CC2)C1 ZINC001120450588 1371580966 /nfs/dbraw/zinc/58/09/66/1371580966.db2.gz WUEPSAAYHSUVOL-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CCC2CC2)C1 ZINC001120450588 1371580977 /nfs/dbraw/zinc/58/09/77/1371580977.db2.gz WUEPSAAYHSUVOL-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120459544 1371583361 /nfs/dbraw/zinc/58/33/61/1371583361.db2.gz NDACKADVZKAQGR-YIYNPQHWSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCCC3CCCC3)C2)CC[N@H+]1C ZINC001208073381 1371588606 /nfs/dbraw/zinc/58/86/06/1371588606.db2.gz JBBYZAFGCDMMBI-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001120503193 1371593881 /nfs/dbraw/zinc/59/38/81/1371593881.db2.gz KNALZXYREPCGRM-KRWDZBQOSA-N 2 1 347.478 3.174 20 0 EGADMP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208113530 1371600402 /nfs/dbraw/zinc/60/04/02/1371600402.db2.gz LCLXXGVJWYXLQK-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208164042 1371614719 /nfs/dbraw/zinc/61/47/19/1371614719.db2.gz PRXUTXFMWMNXBJ-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1cccc(O[C@H]2CCC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)n1 ZINC001208189622 1371630413 /nfs/dbraw/zinc/63/04/13/1371630413.db2.gz WJUCKUHMVMUSOQ-SFHVURJKSA-N 2 1 331.504 3.355 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001208448088 1371769962 /nfs/dbraw/zinc/76/99/62/1371769962.db2.gz VBTZWMXYCRXKHW-PKOBYXMFSA-N 2 1 345.531 3.367 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208475178 1371782262 /nfs/dbraw/zinc/78/22/62/1371782262.db2.gz SFDNCVBFKXLSQY-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCC(N(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208588598 1371829906 /nfs/dbraw/zinc/82/99/06/1371829906.db2.gz JEMQANFQYVLRIR-OAQYLSRUSA-N 2 1 329.532 3.457 20 0 EGADMP CC[NH+](CC)[C@@H]1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208592360 1371831238 /nfs/dbraw/zinc/83/12/38/1371831238.db2.gz TWWBQQZBXRYNIN-NHCUHLMSSA-N 2 1 329.532 3.457 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC001208600723 1371836653 /nfs/dbraw/zinc/83/66/53/1371836653.db2.gz UNJRRSRQQVXXEH-UHFFFAOYSA-N 3 1 329.532 3.315 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CCC(N(C)Cc3ccccc3)CC2)CC1 ZINC001208600723 1371836659 /nfs/dbraw/zinc/83/66/59/1371836659.db2.gz UNJRRSRQQVXXEH-UHFFFAOYSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+]1CCC(CN2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC001208600723 1371836667 /nfs/dbraw/zinc/83/66/67/1371836667.db2.gz UNJRRSRQQVXXEH-UHFFFAOYSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+]1CCC(CN2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC001208600723 1371836671 /nfs/dbraw/zinc/83/66/71/1371836671.db2.gz UNJRRSRQQVXXEH-UHFFFAOYSA-N 2 1 329.532 3.315 20 0 EGADMP c1cc(C[NH+]2CCO[C@@H]3C[N@@H+](CCC4CCCC4)CC[C@@H]3C2)ccn1 ZINC001208693279 1371863506 /nfs/dbraw/zinc/86/35/06/1371863506.db2.gz HQFVUBLGKBUFAQ-NHCUHLMSSA-N 2 1 343.515 3.185 20 0 EGADMP c1cc(C[N@@H+]2CCO[C@@H]3C[NH+](CCC4CCCC4)CC[C@@H]3C2)ccn1 ZINC001208693279 1371863508 /nfs/dbraw/zinc/86/35/08/1371863508.db2.gz HQFVUBLGKBUFAQ-NHCUHLMSSA-N 2 1 343.515 3.185 20 0 EGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CCCc1cccc(Br)c1)C2 ZINC001208824307 1371907107 /nfs/dbraw/zinc/90/71/07/1371907107.db2.gz DHZIXFCEYGHYPU-NVXWUHKLSA-N 2 1 337.305 3.265 20 0 EGADMP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)C1 ZINC001121289582 1371923029 /nfs/dbraw/zinc/92/30/29/1371923029.db2.gz YQBPKQJIBKWWOA-GRFHQPFKSA-N 2 1 347.547 3.066 20 0 EGADMP COC(=O)[C@@]1(C)CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939974 1371954785 /nfs/dbraw/zinc/95/47/85/1371954785.db2.gz MUJYCCOFZXEDCG-CTNGQTDRSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)[C@@]1(C)CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208939974 1371954789 /nfs/dbraw/zinc/95/47/89/1371954789.db2.gz MUJYCCOFZXEDCG-CTNGQTDRSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)[C@@]1(C)CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939974 1371954805 /nfs/dbraw/zinc/95/48/05/1371954805.db2.gz MUJYCCOFZXEDCG-CTNGQTDRSA-N 2 1 344.499 3.174 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001208940674 1371955063 /nfs/dbraw/zinc/95/50/63/1371955063.db2.gz VEYIDFQXTHRUHP-OAQYLSRUSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC2(CC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208940674 1371955066 /nfs/dbraw/zinc/95/50/66/1371955066.db2.gz VEYIDFQXTHRUHP-OAQYLSRUSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC2(CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208940674 1371955069 /nfs/dbraw/zinc/95/50/69/1371955069.db2.gz VEYIDFQXTHRUHP-OAQYLSRUSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC2(CC[N@H+](C[C@@H]3CCCN(Cc4ccccc4)C3)C2)CC1 ZINC001208940674 1371955072 /nfs/dbraw/zinc/95/50/72/1371955072.db2.gz VEYIDFQXTHRUHP-OAQYLSRUSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H]3CCCN(Cc4ccccc4)C3)C2)CC1 ZINC001208940674 1371955073 /nfs/dbraw/zinc/95/50/73/1371955073.db2.gz VEYIDFQXTHRUHP-OAQYLSRUSA-N 2 1 341.543 3.316 20 0 EGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CCOC(=O)c1ccccc1 ZINC001209046952 1371982461 /nfs/dbraw/zinc/98/24/61/1371982461.db2.gz VGCQADAJIQHRAD-RBUKOAKNSA-N 2 1 330.472 3.182 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CCOC(=O)c1ccccc1 ZINC001209046952 1371982464 /nfs/dbraw/zinc/98/24/64/1371982464.db2.gz VGCQADAJIQHRAD-RBUKOAKNSA-N 2 1 330.472 3.182 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCOC(=O)c1ccccc1 ZINC001209046952 1371982466 /nfs/dbraw/zinc/98/24/66/1371982466.db2.gz VGCQADAJIQHRAD-RBUKOAKNSA-N 2 1 330.472 3.182 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCOC(=O)c1ccccc1 ZINC001209046952 1371982469 /nfs/dbraw/zinc/98/24/69/1371982469.db2.gz VGCQADAJIQHRAD-RBUKOAKNSA-N 2 1 330.472 3.182 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC3(C2)CC([NH2+]C[C@H](C)CC)C3)C1 ZINC001121616689 1372026982 /nfs/dbraw/zinc/02/69/82/1372026982.db2.gz OGKLLADMUAXPEG-IPHBXJNRSA-N 2 1 349.563 3.172 20 0 EGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](C[C@H]1C[C@H]1C)CC2 ZINC001209414869 1372099038 /nfs/dbraw/zinc/09/90/38/1372099038.db2.gz MYHOHVPVMNZFDC-GGPKGHCWSA-N 2 1 343.515 3.041 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2CCC12CC3CC(CC(C3)C1)C2 ZINC001209447948 1372108579 /nfs/dbraw/zinc/10/85/79/1372108579.db2.gz STBSCHPGLGFQDR-VEQMMRKXSA-N 2 1 345.575 3.303 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209489060 1372119586 /nfs/dbraw/zinc/11/95/86/1372119586.db2.gz WARUFIXKWLOZOL-LJJUJYJISA-N 2 1 346.519 3.155 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209489060 1372119587 /nfs/dbraw/zinc/11/95/87/1372119587.db2.gz WARUFIXKWLOZOL-LJJUJYJISA-N 2 1 346.519 3.155 20 0 EGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cncs3)C[C@@H]21 ZINC001209549457 1372134108 /nfs/dbraw/zinc/13/41/08/1372134108.db2.gz USICJKNUXTWPJM-AYOQOUSVSA-N 2 1 342.512 3.271 20 0 EGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cncs3)C[C@@H]21 ZINC001209549457 1372134110 /nfs/dbraw/zinc/13/41/10/1372134110.db2.gz USICJKNUXTWPJM-AYOQOUSVSA-N 2 1 342.512 3.271 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001210482507 1372364096 /nfs/dbraw/zinc/36/40/96/1372364096.db2.gz OPHPUBATSXQUHN-LJQANCHMSA-N 2 1 345.531 3.034 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCC2CC2)C1)c1ccccc1 ZINC001210645396 1372398875 /nfs/dbraw/zinc/39/88/75/1372398875.db2.gz QZJHXWSMZUMNPO-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001210796395 1372427909 /nfs/dbraw/zinc/42/79/09/1372427909.db2.gz FTQJYZXRRLFUSV-DLBZAZTESA-N 2 1 349.494 3.199 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094533 1372484713 /nfs/dbraw/zinc/48/47/13/1372484713.db2.gz DXNBZPLWODQNOT-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211267781 1372516754 /nfs/dbraw/zinc/51/67/54/1372516754.db2.gz CMLYDCMKMWHQOI-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211443563 1372559468 /nfs/dbraw/zinc/55/94/68/1372559468.db2.gz DAEXUHVHBLQXJX-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444331 1372559793 /nfs/dbraw/zinc/55/97/93/1372559793.db2.gz VNUOCAFOWGHLKF-NYQZOWANSA-N 2 1 335.536 3.045 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444319 1372560202 /nfs/dbraw/zinc/56/02/02/1372560202.db2.gz UTBAYKNARSCNHR-RTBURBONSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC)C1 ZINC001211691035 1372602967 /nfs/dbraw/zinc/60/29/67/1372602967.db2.gz RGPCGAUHXPUIDP-VQTJNVASSA-N 2 1 345.531 3.103 20 0 EGADMP C[NH+]1CCC(COc2cccc(F)c2Nc2ccc[nH+]c2N)CC1 ZINC001212409011 1372702035 /nfs/dbraw/zinc/70/20/35/1372702035.db2.gz YVZZGXYZSQAGLV-UHFFFAOYSA-N 2 1 330.407 3.267 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855697 1373130520 /nfs/dbraw/zinc/13/05/20/1373130520.db2.gz LFEZCDYCJJCERA-FJLVLMHFSA-N 2 1 347.547 3.186 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+]CC1CCC2(CC2)CC1 ZINC001127680352 1373159388 /nfs/dbraw/zinc/15/93/88/1373159388.db2.gz WAPZOYOWIHASEU-MRXNPFEDSA-N 2 1 346.519 3.073 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001215778555 1373237190 /nfs/dbraw/zinc/23/71/90/1373237190.db2.gz RMMQJOBQNCLBEH-QRQLOZEOSA-N 2 1 337.552 3.122 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001216506467 1373312247 /nfs/dbraw/zinc/31/22/47/1373312247.db2.gz JJQDGURXSGVDNP-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216849916 1373351129 /nfs/dbraw/zinc/35/11/29/1373351129.db2.gz BNIJUTGNXSJLAS-RLLQIKCJSA-N 2 1 345.531 3.162 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001129855968 1373429120 /nfs/dbraw/zinc/42/91/20/1373429120.db2.gz KTZLUDJTMJHPND-LJQANCHMSA-N 2 1 345.531 3.064 20 0 EGADMP C[NH2+][C@H](CC(C)C)c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217715027 1373493754 /nfs/dbraw/zinc/49/37/54/1373493754.db2.gz QYLINXPPMZPOHT-IAGOWNOFSA-N 2 1 328.460 3.366 20 0 EGADMP Cc1ccc([C@@H]2C[C@@H]2c2nnc([C@H]([NH3+])CC3CC[NH2+]CC3)o2)cc1 ZINC001217723553 1373495058 /nfs/dbraw/zinc/49/50/58/1373495058.db2.gz CJANWLOANOTPHG-YESZJQIVSA-N 2 1 326.444 3.039 20 0 EGADMP [NH3+][C@H](CC1CC[NH2+]CC1)c1nnc([C@H]2C[C@@H]2c2ccc(Cl)cc2)o1 ZINC001217724564 1373495669 /nfs/dbraw/zinc/49/56/69/1373495669.db2.gz LNUHJGAGYVRBGX-OWCLPIDISA-N 2 1 346.862 3.384 20 0 EGADMP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC001218783904 1373654591 /nfs/dbraw/zinc/65/45/91/1373654591.db2.gz WUOSDJBMRPDYRL-UHFFFAOYSA-N 2 1 345.491 3.474 20 0 EGADMP O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)[C@]12CC[C@H]1C[NH2+]C2 ZINC001218848619 1373660583 /nfs/dbraw/zinc/66/05/83/1373660583.db2.gz PAPRPZAETWJBGZ-UGKGYDQZSA-N 2 1 347.462 3.141 20 0 EGADMP O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)[C@]12CC[C@H]1C[NH2+]C2 ZINC001218848619 1373660587 /nfs/dbraw/zinc/66/05/87/1373660587.db2.gz PAPRPZAETWJBGZ-UGKGYDQZSA-N 2 1 347.462 3.141 20 0 EGADMP C[C@]1(C(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)CC[NH2+]C1 ZINC001218848809 1373660803 /nfs/dbraw/zinc/66/08/03/1373660803.db2.gz WYYYAUPKAAJZMX-NRFANRHFSA-N 2 1 335.451 3.141 20 0 EGADMP C[C@]1(C(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)CC[NH2+]C1 ZINC001218848809 1373660805 /nfs/dbraw/zinc/66/08/05/1373660805.db2.gz WYYYAUPKAAJZMX-NRFANRHFSA-N 2 1 335.451 3.141 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001221933712 1373806748 /nfs/dbraw/zinc/80/67/48/1373806748.db2.gz LOAKINMMUAPKFU-HSALFYBXSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC001221933712 1373806752 /nfs/dbraw/zinc/80/67/52/1373806752.db2.gz LOAKINMMUAPKFU-HSALFYBXSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)[C@@H]2C1 ZINC001221933712 1373806757 /nfs/dbraw/zinc/80/67/57/1373806757.db2.gz LOAKINMMUAPKFU-HSALFYBXSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H]([NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC001131821748 1373822441 /nfs/dbraw/zinc/82/24/41/1373822441.db2.gz FBXUZHHBCNPUIF-HXUWFJFHSA-N 2 1 345.531 3.498 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224170179 1375059200 /nfs/dbraw/zinc/05/92/00/1375059200.db2.gz RTRIUMUZSHZMMU-ZCNNSNEGSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132150168 1375170659 /nfs/dbraw/zinc/17/06/59/1375170659.db2.gz OSIKBAFLTNUSMQ-ROUUACIJSA-N 2 1 335.536 3.164 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001132214232 1375213567 /nfs/dbraw/zinc/21/35/67/1375213567.db2.gz DVSXUNCXIGUWSU-QZTJIDSGSA-N 2 1 337.552 3.410 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CC1CCCCCC1 ZINC001132270991 1375258739 /nfs/dbraw/zinc/25/87/39/1375258739.db2.gz YKWQJHFMUFYKOQ-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309660 1375286375 /nfs/dbraw/zinc/28/63/75/1375286375.db2.gz AWHVMHKEQBWGHU-CWDJHMJFSA-N 2 1 337.552 3.290 20 0 EGADMP CC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309660 1375286381 /nfs/dbraw/zinc/28/63/81/1375286381.db2.gz AWHVMHKEQBWGHU-CWDJHMJFSA-N 2 1 337.552 3.290 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001226773501 1375330228 /nfs/dbraw/zinc/33/02/28/1375330228.db2.gz DYRNRBDQFSYHGU-KZNAEPCWSA-N 2 1 346.519 3.358 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001132376388 1375339599 /nfs/dbraw/zinc/33/95/99/1375339599.db2.gz MJVGISDMEHFHLL-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001132388495 1375346060 /nfs/dbraw/zinc/34/60/60/1375346060.db2.gz MZZQLNRMGXYWSS-DDRDIHNTSA-N 2 1 349.563 3.432 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001132388496 1375346147 /nfs/dbraw/zinc/34/61/47/1375346147.db2.gz MZZQLNRMGXYWSS-KQPGTDLCSA-N 2 1 349.563 3.432 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001226889993 1375353042 /nfs/dbraw/zinc/35/30/42/1375353042.db2.gz FARVVHAXZIUKGD-BLUNUBTQSA-N 2 1 335.536 3.234 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CC1CCCCC1 ZINC001132433816 1375378141 /nfs/dbraw/zinc/37/81/41/1375378141.db2.gz QMOJCKLYLBXSJM-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CC(C)(C)C2)C1 ZINC001132435782 1375379207 /nfs/dbraw/zinc/37/92/07/1375379207.db2.gz GTKVANBBMYCVPZ-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CC(C)(C)C2)C1 ZINC001132435782 1375379209 /nfs/dbraw/zinc/37/92/09/1375379209.db2.gz GTKVANBBMYCVPZ-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CC(C)(C)C2)C1 ZINC001132435782 1375379212 /nfs/dbraw/zinc/37/92/12/1375379212.db2.gz GTKVANBBMYCVPZ-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccccc2F)C1 ZINC001132435335 1375379835 /nfs/dbraw/zinc/37/98/35/1375379835.db2.gz BUHJTYCIBSRMAJ-WMZOPIPTSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2F)C1 ZINC001132435335 1375379837 /nfs/dbraw/zinc/37/98/37/1375379837.db2.gz BUHJTYCIBSRMAJ-WMZOPIPTSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2F)C1 ZINC001132435335 1375379841 /nfs/dbraw/zinc/37/98/41/1375379841.db2.gz BUHJTYCIBSRMAJ-WMZOPIPTSA-N 2 1 349.494 3.027 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CC1CC(C)(C)C1 ZINC001132434562 1375380110 /nfs/dbraw/zinc/38/01/10/1375380110.db2.gz YJUXQEGTWKDLKK-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1Cc1ccsc1 ZINC001132517403 1375436348 /nfs/dbraw/zinc/43/63/48/1375436348.db2.gz BXNHLDJGTHUTJN-FUHWJXTLSA-N 2 1 349.544 3.093 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132518751 1375437399 /nfs/dbraw/zinc/43/73/99/1375437399.db2.gz NSIOZAYNONHHNP-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001132518751 1375437403 /nfs/dbraw/zinc/43/74/03/1375437403.db2.gz NSIOZAYNONHHNP-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001132518751 1375437407 /nfs/dbraw/zinc/43/74/07/1375437407.db2.gz NSIOZAYNONHHNP-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1)C1CCCCC1 ZINC001227728225 1375466457 /nfs/dbraw/zinc/46/64/57/1375466457.db2.gz MNDPRXAAHVXCDG-WOJBJXKFSA-N 2 1 349.563 3.458 20 0 EGADMP CCCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001227792038 1375474642 /nfs/dbraw/zinc/47/46/42/1375474642.db2.gz JSYIVQWDRWUUDH-LJQANCHMSA-N 2 1 335.536 3.164 20 0 EGADMP CCC/C=C/CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001227792257 1375475135 /nfs/dbraw/zinc/47/51/35/1375475135.db2.gz MNMYLZBBAPPGMD-GHOSXJJBSA-N 2 1 349.563 3.291 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+](CCC2CCCCC2)CC1 ZINC001228053206 1375512289 /nfs/dbraw/zinc/51/22/89/1375512289.db2.gz AADFSPJDAALBHT-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001228112776 1375518780 /nfs/dbraw/zinc/51/87/80/1375518780.db2.gz JZYTYFXVXRIBIS-HCZHMGAMSA-N 2 1 349.563 3.434 20 0 EGADMP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132938622 1375657809 /nfs/dbraw/zinc/65/78/09/1375657809.db2.gz WODKGNKVJQGUIB-SJLPKXTDSA-N 2 1 339.568 3.227 20 0 EGADMP CCC/C=C/CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001228852533 1375694809 /nfs/dbraw/zinc/69/48/09/1375694809.db2.gz IVKRSHVUAJIHKN-VDZMMWBESA-N 2 1 335.536 3.044 20 0 EGADMP C[N@@H+](CC(=O)NC1CC[NH+](CCCC(C)(C)C)CC1)CC(C)(C)C ZINC001229214104 1375789004 /nfs/dbraw/zinc/78/90/04/1375789004.db2.gz ANPPLZNQFPBWHN-UHFFFAOYSA-N 2 1 339.568 3.371 20 0 EGADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ccc(F)cc2C[NH+](C)C)C1 ZINC001229858891 1375906055 /nfs/dbraw/zinc/90/60/55/1375906055.db2.gz UATQNIIDGJFTBO-MAUKXSAKSA-N 2 1 343.446 3.497 20 0 EGADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1)c1ccccc1 ZINC001230287200 1375985917 /nfs/dbraw/zinc/98/59/17/1375985917.db2.gz ZQJAPRRUJOZMPL-AQNXPRMDSA-N 2 1 343.515 3.106 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230516776 1376049327 /nfs/dbraw/zinc/04/93/27/1376049327.db2.gz UJGKJLNRNRHXLM-KUHUBIRLSA-N 2 1 336.439 3.435 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230516776 1376049332 /nfs/dbraw/zinc/04/93/32/1376049332.db2.gz UJGKJLNRNRHXLM-KUHUBIRLSA-N 2 1 336.439 3.435 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230516776 1376049340 /nfs/dbraw/zinc/04/93/40/1376049340.db2.gz UJGKJLNRNRHXLM-KUHUBIRLSA-N 2 1 336.439 3.435 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610474 1376099809 /nfs/dbraw/zinc/09/98/09/1376099809.db2.gz BZEBFSDTGWJYPK-AQKVLALTSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001230617563 1376104189 /nfs/dbraw/zinc/10/41/89/1376104189.db2.gz CQYHWVAWDOKQQF-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001230617563 1376104194 /nfs/dbraw/zinc/10/41/94/1376104194.db2.gz CQYHWVAWDOKQQF-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230617563 1376104198 /nfs/dbraw/zinc/10/41/98/1376104198.db2.gz CQYHWVAWDOKQQF-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628470 1376106780 /nfs/dbraw/zinc/10/67/80/1376106780.db2.gz ICHWQZDVZXRWEO-PKOBYXMFSA-N 2 1 337.552 3.076 20 0 EGADMP C[N@@H+](CC(=O)NCC[NH2+]CCC1CCCCCC1)CC(C)(C)C ZINC001133905611 1376258514 /nfs/dbraw/zinc/25/85/14/1376258514.db2.gz DXRSLLRGUMAELL-UHFFFAOYSA-N 2 1 325.541 3.031 20 0 EGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc2c1OCCO2 ZINC001231886343 1376335534 /nfs/dbraw/zinc/33/55/34/1376335534.db2.gz KJGHQDLOSZWZIY-ROUUACIJSA-N 2 1 330.472 3.297 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc2c1OCCO2 ZINC001231886343 1376335537 /nfs/dbraw/zinc/33/55/37/1376335537.db2.gz KJGHQDLOSZWZIY-ROUUACIJSA-N 2 1 330.472 3.297 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc2c1OCCO2 ZINC001231886343 1376335540 /nfs/dbraw/zinc/33/55/40/1376335540.db2.gz KJGHQDLOSZWZIY-ROUUACIJSA-N 2 1 330.472 3.297 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc2c1OCCO2 ZINC001231886343 1376335549 /nfs/dbraw/zinc/33/55/49/1376335549.db2.gz KJGHQDLOSZWZIY-ROUUACIJSA-N 2 1 330.472 3.297 20 0 EGADMP C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232016576 1376386000 /nfs/dbraw/zinc/38/60/00/1376386000.db2.gz ZZRJUAUFBGESRJ-ZFWWWQNUSA-N 2 1 344.459 3.298 20 0 EGADMP C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232016576 1376386003 /nfs/dbraw/zinc/38/60/03/1376386003.db2.gz ZZRJUAUFBGESRJ-ZFWWWQNUSA-N 2 1 344.459 3.298 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001134564282 1376597626 /nfs/dbraw/zinc/59/76/26/1376597626.db2.gz YMZDOXLYEJKSBJ-AWEZNQCLSA-N 2 1 348.878 3.127 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001134564307 1376597934 /nfs/dbraw/zinc/59/79/34/1376597934.db2.gz ZKXBURHPQQPHBE-AWEZNQCLSA-N 2 1 348.878 3.127 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]C/C=C/c1ccccc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134607735 1376622209 /nfs/dbraw/zinc/62/22/09/1376622209.db2.gz KUDHBXXHRVVLLO-BBUPJTBGSA-N 2 1 343.515 3.057 20 0 EGADMP CCc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134773349 1376713627 /nfs/dbraw/zinc/71/36/27/1376713627.db2.gz NXTLMXYKRMIARZ-DLBZAZTESA-N 2 1 347.547 3.352 20 0 EGADMP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134791377 1376723711 /nfs/dbraw/zinc/72/37/11/1376723711.db2.gz RALOFJBNLFMPOJ-SJORKVTESA-N 2 1 337.552 3.479 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCC(C)(C)C2)cc1 ZINC001135000381 1376835496 /nfs/dbraw/zinc/83/54/96/1376835496.db2.gz DFAVBRFATJYBNK-UHFFFAOYSA-N 2 1 345.531 3.380 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCC(C)(C)C2)cc1 ZINC001135000381 1376835501 /nfs/dbraw/zinc/83/55/01/1376835501.db2.gz DFAVBRFATJYBNK-UHFFFAOYSA-N 2 1 345.531 3.380 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CCC(C)(C)C2)cc1 ZINC001135000381 1376835504 /nfs/dbraw/zinc/83/55/04/1376835504.db2.gz DFAVBRFATJYBNK-UHFFFAOYSA-N 2 1 345.531 3.380 20 0 EGADMP COc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc2c1OCC=C2 ZINC001235037243 1376837752 /nfs/dbraw/zinc/83/77/52/1376837752.db2.gz DPNALUKNGZJTDJ-FQEVSTJZSA-N 2 1 328.456 3.209 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc2c1OCC=C2 ZINC001235037243 1376837759 /nfs/dbraw/zinc/83/77/59/1376837759.db2.gz DPNALUKNGZJTDJ-FQEVSTJZSA-N 2 1 328.456 3.209 20 0 EGADMP Oc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1OCC1CC1 ZINC001235427796 1376869914 /nfs/dbraw/zinc/86/99/14/1376869914.db2.gz OHCZTHYYCVGOIP-RBUKOAKNSA-N 2 1 344.499 3.393 20 0 EGADMP FC1(F)Oc2cccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2O1 ZINC001235429766 1376870007 /nfs/dbraw/zinc/87/00/07/1376870007.db2.gz ZMDNCCJXXLECTE-UONOGXRCSA-N 2 1 338.398 3.220 20 0 EGADMP Fc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c(F)c1F ZINC001235428566 1376870990 /nfs/dbraw/zinc/87/09/90/1376870990.db2.gz QQHCDAKDWFDFCN-VXGBXAGGSA-N 2 1 330.369 3.455 20 0 EGADMP Fc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c(F)c1F ZINC001235428566 1376870996 /nfs/dbraw/zinc/87/09/96/1376870996.db2.gz QQHCDAKDWFDFCN-VXGBXAGGSA-N 2 1 330.369 3.455 20 0 EGADMP CCOc1nccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235430565 1376872340 /nfs/dbraw/zinc/87/23/40/1376872340.db2.gz IGTDYRUFNJILHN-HUUCEWRRSA-N 2 1 337.895 3.345 20 0 EGADMP CCOc1nccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235430566 1376872502 /nfs/dbraw/zinc/87/25/02/1376872502.db2.gz IGTDYRUFNJILHN-LSDHHAIUSA-N 2 1 337.895 3.345 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CC1CCC1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135078009 1376882466 /nfs/dbraw/zinc/88/24/66/1376882466.db2.gz XMSZIMGZGAZJSD-IAGOWNOFSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)C[C@H]1CN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001235878932 1376908536 /nfs/dbraw/zinc/90/85/36/1376908536.db2.gz UPYKLAQLWIYUPS-LEWJYISDSA-N 2 1 329.532 3.361 20 0 EGADMP COc1cccc(CCC[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236006093 1376925121 /nfs/dbraw/zinc/92/51/21/1376925121.db2.gz NEOYIKKWDDWYOA-IRLDBZIGSA-N 2 1 336.479 3.101 20 0 EGADMP [NH3+]C1CN([C@H]2CCC[N@@H+](Cc3ccc(-c4cccs4)cc3)C2)C1 ZINC001236077632 1376932047 /nfs/dbraw/zinc/93/20/47/1376932047.db2.gz JMKPASYBRGGLNN-SFHVURJKSA-N 2 1 327.497 3.022 20 0 EGADMP CCC[N@H+](Cc1[nH]nc2cc(C(F)(F)F)ccc21)C[C@H]1CC[NH2+]C1 ZINC001236843967 1376966882 /nfs/dbraw/zinc/96/68/82/1376966882.db2.gz ODNMKRWAKLDTTC-LBPRGKRZSA-N 2 1 340.393 3.403 20 0 EGADMP COc1ccc(C)c(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001237709099 1376985048 /nfs/dbraw/zinc/98/50/48/1376985048.db2.gz WTCBVAHOVCHGLV-NRFANRHFSA-N 2 1 346.515 3.326 20 0 EGADMP COc1ccc(C)c(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001237709099 1376985055 /nfs/dbraw/zinc/98/50/55/1376985055.db2.gz WTCBVAHOVCHGLV-NRFANRHFSA-N 2 1 346.515 3.326 20 0 EGADMP COc1ccc(C)c(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001237709099 1376985058 /nfs/dbraw/zinc/98/50/58/1376985058.db2.gz WTCBVAHOVCHGLV-NRFANRHFSA-N 2 1 346.515 3.326 20 0 EGADMP COc1ccc(C)c(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001237709099 1376985060 /nfs/dbraw/zinc/98/50/60/1376985060.db2.gz WTCBVAHOVCHGLV-NRFANRHFSA-N 2 1 346.515 3.326 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001246543292 1377052009 /nfs/dbraw/zinc/05/20/09/1377052009.db2.gz MLCFWSIMUOPSJS-WMLDXEAASA-N 2 1 343.298 3.026 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001246545206 1377052040 /nfs/dbraw/zinc/05/20/40/1377052040.db2.gz UWCAICCCSASITM-PBHICJAKSA-N 2 1 343.298 3.026 20 0 EGADMP c1ccc(OC[C@@]23CCC[C@@H]2C[N@H+]([C@@H]2CC[NH2+]C4(CCC4)C2)C3)nc1 ZINC001246721901 1377053201 /nfs/dbraw/zinc/05/32/01/1377053201.db2.gz GKHYNOSSEZFART-GGPKGHCWSA-N 2 1 341.499 3.237 20 0 EGADMP c1cc(CN2C[C@H]3C[C@@H](C2)[N@H+]([C@H]2CC[NH2+]C4(CCCCC4)C2)C3)co1 ZINC001246750268 1377054114 /nfs/dbraw/zinc/05/41/14/1377054114.db2.gz UBZXHAXQZKDXQD-AABGKKOBSA-N 2 1 343.515 3.241 20 0 EGADMP Clc1cccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c1 ZINC001247909182 1377065326 /nfs/dbraw/zinc/06/53/26/1377065326.db2.gz IKLVSQFDMRYARM-UHFFFAOYSA-N 2 1 346.862 3.321 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC1CCC(C)CC1 ZINC001135437126 1377097092 /nfs/dbraw/zinc/09/70/92/1377097092.db2.gz OJSXMBBWGHDHQF-UHFFFAOYSA-N 2 1 325.541 3.031 20 0 EGADMP CC[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001253409419 1377098271 /nfs/dbraw/zinc/09/82/71/1377098271.db2.gz RYXISYDRKBWFJW-LSDHHAIUSA-N 2 1 332.410 3.495 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+]CCc2ccc(OCc3ccccn3)cc2)CC1 ZINC001254508450 1377105224 /nfs/dbraw/zinc/10/52/24/1377105224.db2.gz JCIZACRNUTYHJB-IBGZPJMESA-N 2 1 339.483 3.277 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135475465 1377110238 /nfs/dbraw/zinc/11/02/38/1377110238.db2.gz AVFXLUUOYTYYBK-IAGOWNOFSA-N 2 1 333.520 3.037 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477188 1377110882 /nfs/dbraw/zinc/11/08/82/1377110882.db2.gz SDJBUPMZSJAUFB-HOTGVXAUSA-N 2 1 325.541 3.027 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1=CCCCC1 ZINC001135583790 1377155187 /nfs/dbraw/zinc/15/51/87/1377155187.db2.gz FNJJRKMKRDYHNH-IRXDYDNUSA-N 2 1 346.519 3.380 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001135861953 1377238759 /nfs/dbraw/zinc/23/87/59/1377238759.db2.gz ZNGCZKSKOSEDPO-SJORKVTESA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1sccc1Cl ZINC001135976995 1377284723 /nfs/dbraw/zinc/28/47/23/1377284723.db2.gz PHTAIXOPYVNAJF-OLZOCXBDSA-N 2 1 345.940 3.116 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001135995627 1377292133 /nfs/dbraw/zinc/29/21/33/1377292133.db2.gz IRYWLPTYNLOBAZ-HOTGVXAUSA-N 2 1 325.541 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1csc(C)c1 ZINC001135996448 1377292183 /nfs/dbraw/zinc/29/21/83/1377292183.db2.gz SWTOBXAUGQSOKW-LSDHHAIUSA-N 2 1 339.549 3.161 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135997087 1377293163 /nfs/dbraw/zinc/29/31/63/1377293163.db2.gz YCWWRQJKNRKVAR-RTBURBONSA-N 2 1 347.547 3.408 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CCCC(C)(C)C)CC1 ZINC001266853910 1377395334 /nfs/dbraw/zinc/39/53/34/1377395334.db2.gz WGSHVMRSTKEPMJ-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C2CC2)cc1 ZINC001136541557 1377403439 /nfs/dbraw/zinc/40/34/39/1377403439.db2.gz FWXYRSKCXDMISI-FQEVSTJZSA-N 2 1 343.515 3.052 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC001136759337 1377420697 /nfs/dbraw/zinc/42/06/97/1377420697.db2.gz CMAYZWXJIHPNCZ-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001136759337 1377420699 /nfs/dbraw/zinc/42/06/99/1377420699.db2.gz CMAYZWXJIHPNCZ-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC001136759337 1377420701 /nfs/dbraw/zinc/42/07/01/1377420701.db2.gz CMAYZWXJIHPNCZ-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+]2C2CCCC2)C1 ZINC001136759339 1377420798 /nfs/dbraw/zinc/42/07/98/1377420798.db2.gz CMAYZWXJIHPNCZ-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001136759339 1377420801 /nfs/dbraw/zinc/42/08/01/1377420801.db2.gz CMAYZWXJIHPNCZ-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC001136759339 1377420802 /nfs/dbraw/zinc/42/08/02/1377420802.db2.gz CMAYZWXJIHPNCZ-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP c1csc(C[NH+]2CCC3(CC[NH+](Cc4cnc[nH]4)CC3)CC2)c1 ZINC001136868397 1377433281 /nfs/dbraw/zinc/43/32/81/1377433281.db2.gz FDQQBUOHRRIMQE-UHFFFAOYSA-N 2 1 330.501 3.349 20 0 EGADMP Cc1ccn2c(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@H+]3C)cnc2c1 ZINC001136891487 1377436844 /nfs/dbraw/zinc/43/68/44/1377436844.db2.gz SLYIJCLNUBMLHR-ZWKOTPCHSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1ccn2c(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@@H+]3C)cnc2c1 ZINC001136891487 1377436845 /nfs/dbraw/zinc/43/68/45/1377436845.db2.gz SLYIJCLNUBMLHR-ZWKOTPCHSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1ccn2c(C[N@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)cnc2c1 ZINC001136891487 1377436848 /nfs/dbraw/zinc/43/68/48/1377436848.db2.gz SLYIJCLNUBMLHR-ZWKOTPCHSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1ccn2c(C[N@@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)cnc2c1 ZINC001136891487 1377436850 /nfs/dbraw/zinc/43/68/50/1377436850.db2.gz SLYIJCLNUBMLHR-ZWKOTPCHSA-N 2 1 326.488 3.482 20 0 EGADMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cc2ccccc2s1 ZINC001137684483 1377590997 /nfs/dbraw/zinc/59/09/97/1377590997.db2.gz QYARYRYWUBCGOX-UHFFFAOYSA-N 2 1 334.485 3.218 20 0 EGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cc2ccccc2s1 ZINC001137684483 1377591004 /nfs/dbraw/zinc/59/10/04/1377591004.db2.gz QYARYRYWUBCGOX-UHFFFAOYSA-N 2 1 334.485 3.218 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC001137756627 1377610195 /nfs/dbraw/zinc/61/01/95/1377610195.db2.gz CHPWDYQIVYNWEK-UHFFFAOYSA-N 2 1 347.466 3.315 20 0 EGADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001138052073 1377671408 /nfs/dbraw/zinc/67/14/08/1377671408.db2.gz SOTBLJMHVPZJSJ-UHFFFAOYSA-N 2 1 349.828 3.038 20 0 EGADMP Cc1nccn1-c1ccc(C[N@H+]2CC[C@H](COCC3CC3)C2)cc1 ZINC001138548497 1377739548 /nfs/dbraw/zinc/73/95/48/1377739548.db2.gz FTUHSPITHASDIK-IBGZPJMESA-N 2 1 325.456 3.429 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H](COCC3CC3)C2)cc1 ZINC001138548497 1377739551 /nfs/dbraw/zinc/73/95/51/1377739551.db2.gz FTUHSPITHASDIK-IBGZPJMESA-N 2 1 325.456 3.429 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H](COCC3CC3)C2)cc1 ZINC001138548497 1377739555 /nfs/dbraw/zinc/73/95/55/1377739555.db2.gz FTUHSPITHASDIK-IBGZPJMESA-N 2 1 325.456 3.429 20 0 EGADMP CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001138770910 1377782457 /nfs/dbraw/zinc/78/24/57/1377782457.db2.gz WMSJQRSVDXVWDY-CTNGQTDRSA-N 2 1 346.515 3.266 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4cc(Br)ccc4[nH]3)C[C@@H]2C1 ZINC001139182050 1377845538 /nfs/dbraw/zinc/84/55/38/1377845538.db2.gz JSNIRXLSZNTYRH-OCCSQVGLSA-N 2 1 348.288 3.314 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4cc(Br)ccc4[nH]3)C[C@@H]2C1 ZINC001139182050 1377845541 /nfs/dbraw/zinc/84/55/41/1377845541.db2.gz JSNIRXLSZNTYRH-OCCSQVGLSA-N 2 1 348.288 3.314 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4cc(Br)ccc4[nH]3)C[C@@H]2C1 ZINC001139182050 1377845545 /nfs/dbraw/zinc/84/55/45/1377845545.db2.gz JSNIRXLSZNTYRH-OCCSQVGLSA-N 2 1 348.288 3.314 20 0 EGADMP O=c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c[nH]1 ZINC001139469418 1377890157 /nfs/dbraw/zinc/89/01/57/1377890157.db2.gz UJFAOBJVFXGPBQ-OAQYLSRUSA-N 2 1 337.467 3.275 20 0 EGADMP O=c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c[nH]1 ZINC001139469418 1377890162 /nfs/dbraw/zinc/89/01/62/1377890162.db2.gz UJFAOBJVFXGPBQ-OAQYLSRUSA-N 2 1 337.467 3.275 20 0 EGADMP O=c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c[nH]1 ZINC001139469418 1377890164 /nfs/dbraw/zinc/89/01/64/1377890164.db2.gz UJFAOBJVFXGPBQ-OAQYLSRUSA-N 2 1 337.467 3.275 20 0 EGADMP O=c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c[nH]1 ZINC001139469418 1377890172 /nfs/dbraw/zinc/89/01/72/1377890172.db2.gz UJFAOBJVFXGPBQ-OAQYLSRUSA-N 2 1 337.467 3.275 20 0 EGADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@H+]3C[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC001139512967 1377895359 /nfs/dbraw/zinc/89/53/59/1377895359.db2.gz AMYGTGONIZMYAQ-SZPZYZBQSA-N 2 1 347.506 3.461 20 0 EGADMP CC[N@@H+](Cc1c[nH]c2ncc(C(F)(F)F)cc12)C1CCN(C)CC1 ZINC001139537691 1377900367 /nfs/dbraw/zinc/90/03/67/1377900367.db2.gz CSIYHUIACJEJID-UHFFFAOYSA-N 2 1 340.393 3.498 20 0 EGADMP C[N@H+]1CC[C@@]2(CCN(Cc3c[nH]c4ncc(C(F)(F)F)cc34)C2)C1 ZINC001139540096 1377900504 /nfs/dbraw/zinc/90/05/04/1377900504.db2.gz CTQXQDOHUQNXJX-MRXNPFEDSA-N 2 1 338.377 3.109 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c[nH]c4ncc(C(F)(F)F)cc34)C2)C1 ZINC001139540096 1377900507 /nfs/dbraw/zinc/90/05/07/1377900507.db2.gz CTQXQDOHUQNXJX-MRXNPFEDSA-N 2 1 338.377 3.109 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c[nH]c4ncc(C(F)(F)F)cc34)C2)C1 ZINC001139540096 1377900508 /nfs/dbraw/zinc/90/05/08/1377900508.db2.gz CTQXQDOHUQNXJX-MRXNPFEDSA-N 2 1 338.377 3.109 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001139670714 1377930883 /nfs/dbraw/zinc/93/08/83/1377930883.db2.gz IIWMARIDCIRQKE-KRWDZBQOSA-N 2 1 337.895 3.461 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001139670714 1377930884 /nfs/dbraw/zinc/93/08/84/1377930884.db2.gz IIWMARIDCIRQKE-KRWDZBQOSA-N 2 1 337.895 3.461 20 0 EGADMP CC[N@H+]1CCO[C@@H]2CN(Cc3ccc(F)c4ccccc34)C[C@@H]2C1 ZINC001139891080 1377972939 /nfs/dbraw/zinc/97/29/39/1377972939.db2.gz OQZWNELSGUWIEW-OXJNMPFZSA-N 2 1 328.431 3.131 20 0 EGADMP Cn1ncc2ccc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cc21 ZINC001139909553 1377976612 /nfs/dbraw/zinc/97/66/12/1377976612.db2.gz WUEYKDMILLEVAY-LJQANCHMSA-N 2 1 326.488 3.414 20 0 EGADMP Cn1ncc2ccc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cc21 ZINC001139909553 1377976613 /nfs/dbraw/zinc/97/66/13/1377976613.db2.gz WUEYKDMILLEVAY-LJQANCHMSA-N 2 1 326.488 3.414 20 0 EGADMP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC001140143551 1378019280 /nfs/dbraw/zinc/01/92/80/1378019280.db2.gz NXBKRKYNOBYQMY-UHFFFAOYSA-N 2 1 339.483 3.310 20 0 EGADMP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC001140143551 1378019286 /nfs/dbraw/zinc/01/92/86/1378019286.db2.gz NXBKRKYNOBYQMY-UHFFFAOYSA-N 2 1 339.483 3.310 20 0 EGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(Br)cc1N ZINC001140224729 1378033593 /nfs/dbraw/zinc/03/35/93/1378033593.db2.gz DAEOHZWANQIWSE-UHFFFAOYSA-N 2 1 328.298 3.195 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(Br)cc1N ZINC001140224729 1378033594 /nfs/dbraw/zinc/03/35/94/1378033594.db2.gz DAEOHZWANQIWSE-UHFFFAOYSA-N 2 1 328.298 3.195 20 0 EGADMP CCOc1ccc2[nH]cc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)c2c1 ZINC001140271969 1378038048 /nfs/dbraw/zinc/03/80/48/1378038048.db2.gz KYUHIZYXOWWPCH-UHFFFAOYSA-N 2 1 327.472 3.484 20 0 EGADMP OCc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001140684195 1378113524 /nfs/dbraw/zinc/11/35/24/1378113524.db2.gz GYTNPSNNDDPORA-RBUKOAKNSA-N 2 1 340.467 3.116 20 0 EGADMP OCc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001140684195 1378113526 /nfs/dbraw/zinc/11/35/26/1378113526.db2.gz GYTNPSNNDDPORA-RBUKOAKNSA-N 2 1 340.467 3.116 20 0 EGADMP OCc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001140684195 1378113531 /nfs/dbraw/zinc/11/35/31/1378113531.db2.gz GYTNPSNNDDPORA-RBUKOAKNSA-N 2 1 340.467 3.116 20 0 EGADMP Cn1cnc2ccc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cc21 ZINC001140746704 1378128990 /nfs/dbraw/zinc/12/89/90/1378128990.db2.gz MDKFARWJHOGUHR-GOSISDBHSA-N 2 1 326.488 3.414 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140802240 1378140444 /nfs/dbraw/zinc/14/04/44/1378140444.db2.gz RROJVOYZLOXBJT-IRXDYDNUSA-N 2 1 342.443 3.147 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140802240 1378140447 /nfs/dbraw/zinc/14/04/47/1378140447.db2.gz RROJVOYZLOXBJT-IRXDYDNUSA-N 2 1 342.443 3.147 20 0 EGADMP CC(C)c1noc([C@@H]2CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)n1 ZINC001140804761 1378144134 /nfs/dbraw/zinc/14/41/34/1378144134.db2.gz DGLOMMWAZRKDEU-CYBMUJFWSA-N 2 1 325.416 3.449 20 0 EGADMP CC(C)c1noc([C@@H]2CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)n1 ZINC001140804761 1378144140 /nfs/dbraw/zinc/14/41/40/1378144140.db2.gz DGLOMMWAZRKDEU-CYBMUJFWSA-N 2 1 325.416 3.449 20 0 EGADMP CC[N@H+](Cc1c[nH]c2cc[nH+]cc12)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140805046 1378144281 /nfs/dbraw/zinc/14/42/81/1378144281.db2.gz PRNZCBHWBNXORS-OAHLLOKOSA-N 2 1 344.459 3.394 20 0 EGADMP CC[N@@H+](Cc1c[nH]c2cc[nH+]cc12)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140805046 1378144284 /nfs/dbraw/zinc/14/42/84/1378144284.db2.gz PRNZCBHWBNXORS-OAHLLOKOSA-N 2 1 344.459 3.394 20 0 EGADMP CCCc1noc([C@@H]2CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)n1 ZINC001140805191 1378144391 /nfs/dbraw/zinc/14/43/91/1378144391.db2.gz VUVXWEYTIYJIEY-CYBMUJFWSA-N 2 1 325.416 3.278 20 0 EGADMP CCCc1noc([C@@H]2CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)n1 ZINC001140805191 1378144398 /nfs/dbraw/zinc/14/43/98/1378144398.db2.gz VUVXWEYTIYJIEY-CYBMUJFWSA-N 2 1 325.416 3.278 20 0 EGADMP Cc1nccnc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001140939471 1378186059 /nfs/dbraw/zinc/18/60/59/1378186059.db2.gz MWAYPKSZBFBIQU-UXHICEINSA-N 2 1 336.483 3.129 20 0 EGADMP CCCC[C@H](CC)C[N@@H+]1CCC2(C1)CC[NH+](Cc1nncn1C)CC2 ZINC001277623898 1378240574 /nfs/dbraw/zinc/24/05/74/1378240574.db2.gz OOVRPEZWQGPVDZ-SFHVURJKSA-N 2 1 347.551 3.319 20 0 EGADMP CCCC[C@H](CC)C[N@H+]1CCC2(C1)CC[NH+](Cc1nncn1C)CC2 ZINC001277623898 1378240576 /nfs/dbraw/zinc/24/05/76/1378240576.db2.gz OOVRPEZWQGPVDZ-SFHVURJKSA-N 2 1 347.551 3.319 20 0 EGADMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cccc(C(C)(C)C)c1 ZINC001141103985 1378240802 /nfs/dbraw/zinc/24/08/02/1378240802.db2.gz ORGXYJSRRQXGHA-UHFFFAOYSA-N 2 1 334.504 3.301 20 0 EGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cccc(C(C)(C)C)c1 ZINC001141103985 1378240811 /nfs/dbraw/zinc/24/08/11/1378240811.db2.gz ORGXYJSRRQXGHA-UHFFFAOYSA-N 2 1 334.504 3.301 20 0 EGADMP c1c[nH]c(C[N@H+]2CCC3(C2)CC[NH+](Cc2cccc4c[nH]nc42)CC3)c1 ZINC001279449470 1378308942 /nfs/dbraw/zinc/30/89/42/1378308942.db2.gz HAOBUCXBGDRYPE-UHFFFAOYSA-N 2 1 349.482 3.379 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1c[nH]c2cc(Cl)ccc12 ZINC001141583396 1378346102 /nfs/dbraw/zinc/34/61/02/1378346102.db2.gz DWMBTYIECPMXCU-RBUKOAKNSA-N 2 1 346.906 3.032 20 0 EGADMP CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[NH+](C)C)cc1 ZINC001141779425 1378374945 /nfs/dbraw/zinc/37/49/45/1378374945.db2.gz DGBLLUYHLLVYBC-VQTJNVASSA-N 2 1 345.531 3.088 20 0 EGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1c(C)ccc2ccccc21 ZINC001142380562 1378437789 /nfs/dbraw/zinc/43/77/89/1378437789.db2.gz VODUQDINSHFOQT-UHFFFAOYSA-N 2 1 342.483 3.465 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001146334591 1378819892 /nfs/dbraw/zinc/81/98/92/1378819892.db2.gz YBFIUCZZAFGRSC-CVEARBPZSA-N 2 1 334.508 3.035 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001146334128 1378820008 /nfs/dbraw/zinc/82/00/08/1378820008.db2.gz VAJCFWSTLZFOQS-CVEARBPZSA-N 2 1 334.508 3.035 20 0 EGADMP Cc1cc(C)cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001146590771 1378872073 /nfs/dbraw/zinc/87/20/73/1378872073.db2.gz AFZDOBZOYRNJSM-MSOLQXFVSA-N 2 1 333.520 3.017 20 0 EGADMP Cc1cc(C)c(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001146591034 1378873859 /nfs/dbraw/zinc/87/38/59/1378873859.db2.gz FOPSWNWNQCOLHA-RBUKOAKNSA-N 2 1 347.547 3.325 20 0 EGADMP CCc1ccc(CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001146599604 1378874415 /nfs/dbraw/zinc/87/44/15/1378874415.db2.gz CGDCCQNXMRZBCS-QZTJIDSGSA-N 2 1 347.547 3.005 20 0 EGADMP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001146594868 1378874778 /nfs/dbraw/zinc/87/47/78/1378874778.db2.gz VSVQRLZDUAOYLZ-QZTJIDSGSA-N 2 1 333.520 3.017 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001146933305 1378945035 /nfs/dbraw/zinc/94/50/35/1378945035.db2.gz GXYLVCPXYKKTDH-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001147841066 1379089309 /nfs/dbraw/zinc/08/93/09/1379089309.db2.gz JHYWFGLZDFHEIF-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001147841066 1379089311 /nfs/dbraw/zinc/08/93/11/1379089311.db2.gz JHYWFGLZDFHEIF-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001147841066 1379089313 /nfs/dbraw/zinc/08/93/13/1379089313.db2.gz JHYWFGLZDFHEIF-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148386680 1379161908 /nfs/dbraw/zinc/16/19/08/1379161908.db2.gz YMORYJYOOUHWLF-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001148386680 1379161910 /nfs/dbraw/zinc/16/19/10/1379161910.db2.gz YMORYJYOOUHWLF-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001148386680 1379161912 /nfs/dbraw/zinc/16/19/12/1379161912.db2.gz YMORYJYOOUHWLF-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001148524950 1379203004 /nfs/dbraw/zinc/20/30/04/1379203004.db2.gz XXNIOOWTNKCXKI-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001148833605 1379278733 /nfs/dbraw/zinc/27/87/33/1379278733.db2.gz CYIQHOCITJLBFQ-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@H+]1CCCC1CCC1 ZINC001284128598 1379506819 /nfs/dbraw/zinc/50/68/19/1379506819.db2.gz NEVZDZQIAHSMKK-LPHOPBHVSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCC[NH+]1CCCC1CCC1 ZINC001284128598 1379506832 /nfs/dbraw/zinc/50/68/32/1379506832.db2.gz NEVZDZQIAHSMKK-LPHOPBHVSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCC[NH+]1CCCC1CCC1 ZINC001284128598 1379506837 /nfs/dbraw/zinc/50/68/37/1379506837.db2.gz NEVZDZQIAHSMKK-LPHOPBHVSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153388254 1380068479 /nfs/dbraw/zinc/06/84/79/1380068479.db2.gz YGCGILYILVFCIC-XLIONFOSSA-N 2 1 349.563 3.125 20 0 EGADMP CCc1nccn1[C@H](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCC1 ZINC001153433141 1380075602 /nfs/dbraw/zinc/07/56/02/1380075602.db2.gz SLYOYEMXBKWIQX-IAGOWNOFSA-N 2 1 348.535 3.413 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC1CCCC1 ZINC001153433141 1380075607 /nfs/dbraw/zinc/07/56/07/1380075607.db2.gz SLYOYEMXBKWIQX-IAGOWNOFSA-N 2 1 348.535 3.413 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCC1 ZINC001153433141 1380075610 /nfs/dbraw/zinc/07/56/10/1380075610.db2.gz SLYOYEMXBKWIQX-IAGOWNOFSA-N 2 1 348.535 3.413 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001153802305 1380132642 /nfs/dbraw/zinc/13/26/42/1380132642.db2.gz IUBBTHLBWBQHGU-FAPWYTRCSA-N 2 1 337.552 3.147 20 0 EGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001153802305 1380132644 /nfs/dbraw/zinc/13/26/44/1380132644.db2.gz IUBBTHLBWBQHGU-FAPWYTRCSA-N 2 1 337.552 3.147 20 0 EGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001153802305 1380132646 /nfs/dbraw/zinc/13/26/46/1380132646.db2.gz IUBBTHLBWBQHGU-FAPWYTRCSA-N 2 1 337.552 3.147 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153819107 1380136168 /nfs/dbraw/zinc/13/61/68/1380136168.db2.gz NRCXHDDWFADKON-QZTJIDSGSA-N 2 1 325.541 3.266 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001153819107 1380136169 /nfs/dbraw/zinc/13/61/69/1380136169.db2.gz NRCXHDDWFADKON-QZTJIDSGSA-N 2 1 325.541 3.266 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001153819107 1380136170 /nfs/dbraw/zinc/13/61/70/1380136170.db2.gz NRCXHDDWFADKON-QZTJIDSGSA-N 2 1 325.541 3.266 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCCc2nccn21 ZINC001153818934 1380136217 /nfs/dbraw/zinc/13/62/17/1380136217.db2.gz GSRGTAFMJGHTFS-IAGOWNOFSA-N 2 1 348.535 3.413 20 0 EGADMP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153818934 1380136218 /nfs/dbraw/zinc/13/62/18/1380136218.db2.gz GSRGTAFMJGHTFS-IAGOWNOFSA-N 2 1 348.535 3.413 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153818934 1380136219 /nfs/dbraw/zinc/13/62/19/1380136219.db2.gz GSRGTAFMJGHTFS-IAGOWNOFSA-N 2 1 348.535 3.413 20 0 EGADMP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153819273 1380136811 /nfs/dbraw/zinc/13/68/11/1380136811.db2.gz VBCNUDYRJYOZSZ-WBVHZDCISA-N 2 1 346.519 3.023 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153819273 1380136813 /nfs/dbraw/zinc/13/68/13/1380136813.db2.gz VBCNUDYRJYOZSZ-WBVHZDCISA-N 2 1 346.519 3.023 20 0 EGADMP CC[N@@H+](CC1CCC(C)CC1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153929883 1380156866 /nfs/dbraw/zinc/15/68/66/1380156866.db2.gz AXJFUAQYMUDSNE-CHPDAQJUSA-N 2 1 339.568 3.226 20 0 EGADMP CC[N@@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033709 1380187485 /nfs/dbraw/zinc/18/74/85/1380187485.db2.gz KHRCFMLKMWOGLG-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154033709 1380187486 /nfs/dbraw/zinc/18/74/86/1380187486.db2.gz KHRCFMLKMWOGLG-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154033709 1380187487 /nfs/dbraw/zinc/18/74/87/1380187487.db2.gz KHRCFMLKMWOGLG-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001154344352 1380261131 /nfs/dbraw/zinc/26/11/31/1380261131.db2.gz AZFVKHOIOJFQDQ-MRXNPFEDSA-N 2 1 348.535 3.025 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001154344352 1380261132 /nfs/dbraw/zinc/26/11/32/1380261132.db2.gz AZFVKHOIOJFQDQ-MRXNPFEDSA-N 2 1 348.535 3.025 20 0 EGADMP CC[C@@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154463979 1380282477 /nfs/dbraw/zinc/28/24/77/1380282477.db2.gz AIHCRHYMZKYYGH-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC001154465938 1380283144 /nfs/dbraw/zinc/28/31/44/1380283144.db2.gz PAENNZJDSJNEFA-CMKODMSKSA-N 2 1 345.531 3.224 20 0 EGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001154785031 1380350815 /nfs/dbraw/zinc/35/08/15/1380350815.db2.gz WRWJRYRRIJCYRM-HKVOBHHDSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001154785031 1380350817 /nfs/dbraw/zinc/35/08/17/1380350817.db2.gz WRWJRYRRIJCYRM-HKVOBHHDSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001154785031 1380350818 /nfs/dbraw/zinc/35/08/18/1380350818.db2.gz WRWJRYRRIJCYRM-HKVOBHHDSA-N 2 1 337.552 3.291 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)C1 ZINC001154825547 1380359189 /nfs/dbraw/zinc/35/91/89/1380359189.db2.gz RMOJCSVHQJUEIJ-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCc1ccc(C)cc1)[NH+](C)C ZINC001155288827 1380433664 /nfs/dbraw/zinc/43/36/64/1380433664.db2.gz AYJIIDLREAVJHL-QUCCMNQESA-N 2 1 347.547 3.094 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(Cl)cc1)[NH+](C)C ZINC001155289765 1380433920 /nfs/dbraw/zinc/43/39/20/1380433920.db2.gz XTANHDICFJWFKL-PBHICJAKSA-N 2 1 339.911 3.007 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)C[C@@H](C)n1ccnc1 ZINC001155521104 1380463626 /nfs/dbraw/zinc/46/36/26/1380463626.db2.gz FGGCUTHNCXHTKN-HZPDHXFCSA-N 2 1 334.508 3.097 20 0 EGADMP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155607416 1380473012 /nfs/dbraw/zinc/47/30/12/1380473012.db2.gz PVZWLIGTDSXNQG-QGZVFWFLSA-N 2 1 334.508 3.189 20 0 EGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155607416 1380473013 /nfs/dbraw/zinc/47/30/13/1380473013.db2.gz PVZWLIGTDSXNQG-QGZVFWFLSA-N 2 1 334.508 3.189 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631288 1380476857 /nfs/dbraw/zinc/47/68/57/1380476857.db2.gz LIDSKDSIXMKRFO-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825687 1380495715 /nfs/dbraw/zinc/49/57/15/1380495715.db2.gz POILMKOQERMIBR-ZPUOCTKUSA-N 2 1 334.508 3.155 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825687 1380495716 /nfs/dbraw/zinc/49/57/16/1380495716.db2.gz POILMKOQERMIBR-ZPUOCTKUSA-N 2 1 334.508 3.155 20 0 EGADMP CN(C)c1cccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC001156315199 1380556917 /nfs/dbraw/zinc/55/69/17/1380556917.db2.gz LENLVMBBEAEFAC-GBESFXJTSA-N 2 1 336.483 3.470 20 0 EGADMP COc1cc2cc[nH+]c(NCC[C@@H]3CCC[N@@H+](C)C3)c2cc1OC ZINC001156389429 1380570133 /nfs/dbraw/zinc/57/01/33/1380570133.db2.gz PYWRBUZYPIOMGU-AWEZNQCLSA-N 2 1 329.444 3.396 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1c(C)cc(C)cc1C ZINC001156525511 1380587996 /nfs/dbraw/zinc/58/79/96/1380587996.db2.gz RXUPZTBFHDRIAR-LJQANCHMSA-N 2 1 347.547 3.280 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1c(C)cc(C)cc1C ZINC001156525511 1380587997 /nfs/dbraw/zinc/58/79/97/1380587997.db2.gz RXUPZTBFHDRIAR-LJQANCHMSA-N 2 1 347.547 3.280 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1c(C)cc(C)cc1C ZINC001156525511 1380587998 /nfs/dbraw/zinc/58/79/98/1380587998.db2.gz RXUPZTBFHDRIAR-LJQANCHMSA-N 2 1 347.547 3.280 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001328103318 1388674109 /nfs/dbraw/zinc/67/41/09/1388674109.db2.gz SOXUQGSUZUMJSP-IEBWSBKVSA-N 2 1 345.531 3.306 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098657 1380774847 /nfs/dbraw/zinc/77/48/47/1380774847.db2.gz RIVLTPFIKZCFML-IHHMQQGQSA-N 2 1 337.552 3.435 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098658 1380775198 /nfs/dbraw/zinc/77/51/98/1380775198.db2.gz RIVLTPFIKZCFML-QULHZPMSSA-N 2 1 337.552 3.435 20 0 EGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109043 1380777300 /nfs/dbraw/zinc/77/73/00/1380777300.db2.gz HIVWDRKUXHXNBH-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001157109043 1380777306 /nfs/dbraw/zinc/77/73/06/1380777306.db2.gz HIVWDRKUXHXNBH-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109042 1380777417 /nfs/dbraw/zinc/77/74/17/1380777417.db2.gz HIVWDRKUXHXNBH-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001157109042 1380777418 /nfs/dbraw/zinc/77/74/18/1380777418.db2.gz HIVWDRKUXHXNBH-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157137870 1380784061 /nfs/dbraw/zinc/78/40/61/1380784061.db2.gz GJPPVKCNTYZCGC-QGZVFWFLSA-N 2 1 333.520 3.379 20 0 EGADMP C[N@@H+](CCC1CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157701877 1381008395 /nfs/dbraw/zinc/00/83/95/1381008395.db2.gz KQRYNBFVPDRYEJ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001157701877 1381008401 /nfs/dbraw/zinc/00/84/01/1381008401.db2.gz KQRYNBFVPDRYEJ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001157701877 1381008408 /nfs/dbraw/zinc/00/84/08/1381008408.db2.gz KQRYNBFVPDRYEJ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001157893814 1381064001 /nfs/dbraw/zinc/06/40/01/1381064001.db2.gz NNGVYOCOTDFKSB-UXHICEINSA-N 2 1 343.515 3.033 20 0 EGADMP [NH3+]C1CCN(c2cc[nH+]c(NCCc3ccc4ccccc4c3)n2)CC1 ZINC001157910578 1381068620 /nfs/dbraw/zinc/06/86/20/1381068620.db2.gz LRUFOEJNXXLGBP-UHFFFAOYSA-N 2 1 347.466 3.212 20 0 EGADMP Cc1cccc2cc(Cl)nc(N3CCC([N@@H+]4CC[C@@H]([NH3+])C4)CC3)c12 ZINC001158269874 1381179590 /nfs/dbraw/zinc/17/95/90/1381179590.db2.gz RZWLCYNXWYWGGT-OAHLLOKOSA-N 2 1 344.890 3.198 20 0 EGADMP Cc1cccc2cc(Cl)nc(N3CCC([N@H+]4CC[C@@H]([NH3+])C4)CC3)c12 ZINC001158269874 1381179597 /nfs/dbraw/zinc/17/95/97/1381179597.db2.gz RZWLCYNXWYWGGT-OAHLLOKOSA-N 2 1 344.890 3.198 20 0 EGADMP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158329519 1381202522 /nfs/dbraw/zinc/20/25/22/1381202522.db2.gz PGSZUHPIOWELBX-YSKLNCTFSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001158329519 1381202526 /nfs/dbraw/zinc/20/25/26/1381202526.db2.gz PGSZUHPIOWELBX-YSKLNCTFSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001158329519 1381202532 /nfs/dbraw/zinc/20/25/32/1381202532.db2.gz PGSZUHPIOWELBX-YSKLNCTFSA-N 2 1 335.536 3.140 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH2+]C[C@@H](C)CC(C)C ZINC001158355065 1381214859 /nfs/dbraw/zinc/21/48/59/1381214859.db2.gz NCYPISQUFBFGRO-IRXDYDNUSA-N 2 1 336.524 3.175 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158411278 1381237738 /nfs/dbraw/zinc/23/77/38/1381237738.db2.gz DHXIURXJBYBJLP-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP Cc1ccc(C[N@H+](C)C[C@H]2CCCCN2C(=O)CC[NH+](C)C)c(C)c1 ZINC001158450205 1381249112 /nfs/dbraw/zinc/24/91/12/1381249112.db2.gz NZPNSWNJKFAKSL-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001158474387 1381258076 /nfs/dbraw/zinc/25/80/76/1381258076.db2.gz YESSTEPMNANTJA-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001158474387 1381258078 /nfs/dbraw/zinc/25/80/78/1381258078.db2.gz YESSTEPMNANTJA-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001158474387 1381258085 /nfs/dbraw/zinc/25/80/85/1381258085.db2.gz YESSTEPMNANTJA-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480834 1381261438 /nfs/dbraw/zinc/26/14/38/1381261438.db2.gz RISQCZXRFGHDCQ-QZTJIDSGSA-N 2 1 339.568 3.323 20 0 EGADMP CC[C@@H](C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001158480834 1381261440 /nfs/dbraw/zinc/26/14/40/1381261440.db2.gz RISQCZXRFGHDCQ-QZTJIDSGSA-N 2 1 339.568 3.323 20 0 EGADMP CC[C@@H](C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001158480834 1381261449 /nfs/dbraw/zinc/26/14/49/1381261449.db2.gz RISQCZXRFGHDCQ-QZTJIDSGSA-N 2 1 339.568 3.323 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480239 1381261949 /nfs/dbraw/zinc/26/19/49/1381261949.db2.gz JTJXSYGDCSFFAT-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001158480239 1381261950 /nfs/dbraw/zinc/26/19/50/1381261950.db2.gz JTJXSYGDCSFFAT-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001158480239 1381261951 /nfs/dbraw/zinc/26/19/51/1381261951.db2.gz JTJXSYGDCSFFAT-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CC[N@@H+]1CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C(C)(C)C1 ZINC001158561637 1381300092 /nfs/dbraw/zinc/30/00/92/1381300092.db2.gz JDYKILLVBWCAAO-UHFFFAOYSA-N 2 1 336.911 3.251 20 0 EGADMP CC[N@H+]1CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C(C)(C)C1 ZINC001158561637 1381300097 /nfs/dbraw/zinc/30/00/97/1381300097.db2.gz JDYKILLVBWCAAO-UHFFFAOYSA-N 2 1 336.911 3.251 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC2(CCC2)C1 ZINC001158624986 1381328769 /nfs/dbraw/zinc/32/87/69/1381328769.db2.gz IYZKCUNJOZXINM-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001158646221 1381335956 /nfs/dbraw/zinc/33/59/56/1381335956.db2.gz IGZBQDBNCHWAMB-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158751116 1381383377 /nfs/dbraw/zinc/38/33/77/1381383377.db2.gz UCHHORALDNAICE-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001158751116 1381383381 /nfs/dbraw/zinc/38/33/81/1381383381.db2.gz UCHHORALDNAICE-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001158751116 1381383388 /nfs/dbraw/zinc/38/33/88/1381383388.db2.gz UCHHORALDNAICE-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](CCCC1CCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158866559 1381441204 /nfs/dbraw/zinc/44/12/04/1381441204.db2.gz RGNHHGCXPMOJRH-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001158866559 1381441210 /nfs/dbraw/zinc/44/12/10/1381441210.db2.gz RGNHHGCXPMOJRH-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001158866559 1381441216 /nfs/dbraw/zinc/44/12/16/1381441216.db2.gz RGNHHGCXPMOJRH-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001158909889 1381459639 /nfs/dbraw/zinc/45/96/39/1381459639.db2.gz ZEFQIHGFLZTFCG-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001158913776 1381461906 /nfs/dbraw/zinc/46/19/06/1381461906.db2.gz CGCASMQYHPIKHZ-SOAGJPPSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CCC1CCCC1 ZINC001158923351 1381464977 /nfs/dbraw/zinc/46/49/77/1381464977.db2.gz XGCSWKMOJQUPQU-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CCCC1 ZINC001158923351 1381464982 /nfs/dbraw/zinc/46/49/82/1381464982.db2.gz XGCSWKMOJQUPQU-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CCCC1 ZINC001158923351 1381464985 /nfs/dbraw/zinc/46/49/85/1381464985.db2.gz XGCSWKMOJQUPQU-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC001158923116 1381465270 /nfs/dbraw/zinc/46/52/70/1381465270.db2.gz OOXCVJRFVKHRDK-LJQANCHMSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC001158923116 1381465278 /nfs/dbraw/zinc/46/52/78/1381465278.db2.gz OOXCVJRFVKHRDK-LJQANCHMSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC001158923116 1381465282 /nfs/dbraw/zinc/46/52/82/1381465282.db2.gz OOXCVJRFVKHRDK-LJQANCHMSA-N 2 1 335.536 3.140 20 0 EGADMP c1ccc2c(c1)C[NH2+]C21CCN(c2nc(N3CCCCC3)cc[nH+]2)CC1 ZINC001159030893 1381522466 /nfs/dbraw/zinc/52/24/66/1381522466.db2.gz AGIFCYJPRWLSAI-UHFFFAOYSA-N 2 1 349.482 3.066 20 0 EGADMP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cc(N)[nH+]cn3)[C@H](C)C2)CC[C@H]1[NH3+] ZINC001159887649 1381928938 /nfs/dbraw/zinc/92/89/38/1381928938.db2.gz UDCMLUFMEWAVQQ-KWRZAIAESA-N 2 1 331.508 3.429 20 0 EGADMP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cc(N)nc[nH+]3)[C@H](C)C2)CC[C@H]1[NH3+] ZINC001159887649 1381928940 /nfs/dbraw/zinc/92/89/40/1381928940.db2.gz UDCMLUFMEWAVQQ-KWRZAIAESA-N 2 1 331.508 3.429 20 0 EGADMP CC1CCC(C[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001159908247 1381934046 /nfs/dbraw/zinc/93/40/46/1381934046.db2.gz HSMHDVZVIMLQIC-AFMYVXGZSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001159909785 1381934279 /nfs/dbraw/zinc/93/42/79/1381934279.db2.gz NFYOOBPPZHNZGI-APWZRJJASA-N 2 1 349.494 3.246 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1c(F)cccc1O[C@@H]1CC[NH2+]C1 ZINC001160130542 1382007476 /nfs/dbraw/zinc/00/74/76/1382007476.db2.gz YYUFNGXMOKLBGJ-CYBMUJFWSA-N 2 1 330.407 3.079 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131956 1382009746 /nfs/dbraw/zinc/00/97/46/1382009746.db2.gz YCWDKJBKAZZKPM-UXHICEINSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131956 1382009748 /nfs/dbraw/zinc/00/97/48/1382009748.db2.gz YCWDKJBKAZZKPM-UXHICEINSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001160131956 1382009749 /nfs/dbraw/zinc/00/97/49/1382009749.db2.gz YCWDKJBKAZZKPM-UXHICEINSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](CCC3CCCC3)CC2)CC[N@H+]1C ZINC001160175538 1382025305 /nfs/dbraw/zinc/02/53/05/1382025305.db2.gz XKVULKBBGFMCDV-YLJYHZDGSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@H+](CCC3CCCC3)CC2)CC[NH+]1C ZINC001160175538 1382025308 /nfs/dbraw/zinc/02/53/08/1382025308.db2.gz XKVULKBBGFMCDV-YLJYHZDGSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@@H+](CCC3CCCC3)CC2)CC[NH+]1C ZINC001160175538 1382025310 /nfs/dbraw/zinc/02/53/10/1382025310.db2.gz XKVULKBBGFMCDV-YLJYHZDGSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001160274226 1382058082 /nfs/dbraw/zinc/05/80/82/1382058082.db2.gz RIMZRDBIDGZZKH-UYAOXDASSA-N 2 1 343.515 3.034 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C)c1ccc(F)cc1 ZINC001160273201 1382058414 /nfs/dbraw/zinc/05/84/14/1382058414.db2.gz JJUXPDPLLLJJKU-MOPGFXCFSA-N 2 1 349.494 3.247 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160359890 1382082609 /nfs/dbraw/zinc/08/26/09/1382082609.db2.gz FDQLGBIQMSQERQ-HXUWFJFHSA-N 2 1 347.547 3.354 20 0 EGADMP CC(C)=CC[N@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160359890 1382082613 /nfs/dbraw/zinc/08/26/13/1382082613.db2.gz FDQLGBIQMSQERQ-HXUWFJFHSA-N 2 1 347.547 3.354 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160359890 1382082616 /nfs/dbraw/zinc/08/26/16/1382082616.db2.gz FDQLGBIQMSQERQ-HXUWFJFHSA-N 2 1 347.547 3.354 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160379833 1382087705 /nfs/dbraw/zinc/08/77/05/1382087705.db2.gz NWPXCTJGBUOJDZ-SFHVURJKSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC=C(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001160379833 1382087711 /nfs/dbraw/zinc/08/77/11/1382087711.db2.gz NWPXCTJGBUOJDZ-SFHVURJKSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001160379833 1382087715 /nfs/dbraw/zinc/08/77/15/1382087715.db2.gz NWPXCTJGBUOJDZ-SFHVURJKSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160399997 1382094159 /nfs/dbraw/zinc/09/41/59/1382094159.db2.gz IXIDVXCEHKSIPD-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001160399997 1382094165 /nfs/dbraw/zinc/09/41/65/1382094165.db2.gz IXIDVXCEHKSIPD-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001160399997 1382094170 /nfs/dbraw/zinc/09/41/70/1382094170.db2.gz IXIDVXCEHKSIPD-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160400445 1382094700 /nfs/dbraw/zinc/09/47/00/1382094700.db2.gz QTGBRSKBPWEKRX-SGSXCFNPSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001160400445 1382094705 /nfs/dbraw/zinc/09/47/05/1382094705.db2.gz QTGBRSKBPWEKRX-SGSXCFNPSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001160400445 1382094709 /nfs/dbraw/zinc/09/47/09/1382094709.db2.gz QTGBRSKBPWEKRX-SGSXCFNPSA-N 2 1 347.547 3.356 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160407126 1382096121 /nfs/dbraw/zinc/09/61/21/1382096121.db2.gz XCEGHBLDLRPKBC-IBGZPJMESA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160406533 1382096295 /nfs/dbraw/zinc/09/62/95/1382096295.db2.gz PMHWJJBTAFURPG-UCFODXPJSA-N 2 1 335.536 3.067 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C(=O)N1CCC(C[NH2+]C)CC1)c1ccccc1 ZINC001160458690 1382109558 /nfs/dbraw/zinc/10/95/58/1382109558.db2.gz ATXQJDIKWGYGGF-HXUWFJFHSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001160559384 1382141958 /nfs/dbraw/zinc/14/19/58/1382141958.db2.gz IBHBGNJYTDRULZ-UHFFFAOYSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001160559384 1382141959 /nfs/dbraw/zinc/14/19/59/1382141959.db2.gz IBHBGNJYTDRULZ-UHFFFAOYSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001160559384 1382141963 /nfs/dbraw/zinc/14/19/63/1382141963.db2.gz IBHBGNJYTDRULZ-UHFFFAOYSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCC2CC2)CC1 ZINC001160567652 1382144738 /nfs/dbraw/zinc/14/47/38/1382144738.db2.gz IDFHDKAGOPJALP-FQEVSTJZSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCC2CC2)CC1 ZINC001160567652 1382144741 /nfs/dbraw/zinc/14/47/41/1382144741.db2.gz IDFHDKAGOPJALP-FQEVSTJZSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001160567652 1382144746 /nfs/dbraw/zinc/14/47/46/1382144746.db2.gz IDFHDKAGOPJALP-FQEVSTJZSA-N 2 1 347.547 3.045 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C(=O)N(C)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001160696067 1382173190 /nfs/dbraw/zinc/17/31/90/1382173190.db2.gz UDJAANVFRDYSCU-AZUAARDMSA-N 2 1 345.531 3.308 20 0 EGADMP [NH3+]CCc1cn(C(F)(F)Oc2cccnc2Cl)c2cc[nH+]cc12 ZINC001160945739 1382247176 /nfs/dbraw/zinc/24/71/76/1382247176.db2.gz JHZIPSNBXFYPDA-UHFFFAOYSA-N 2 1 338.745 3.172 20 0 EGADMP CC[C@H](C)[C@@H]([NH3+])CC(=O)N(C)[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001160957317 1382250893 /nfs/dbraw/zinc/25/08/93/1382250893.db2.gz QPBOJODPTFJDKR-ZULIPRJHSA-N 2 1 345.531 3.119 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161219939 1382346318 /nfs/dbraw/zinc/34/63/18/1382346318.db2.gz RHYKWURRPDMOLU-KRWDZBQOSA-N 2 1 337.552 3.149 20 0 EGADMP CC(C)CC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001161356583 1382382400 /nfs/dbraw/zinc/38/24/00/1382382400.db2.gz VYKGZTMZRPTHMG-UHFFFAOYSA-N 2 1 346.519 3.191 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001161356583 1382382403 /nfs/dbraw/zinc/38/24/03/1382382403.db2.gz VYKGZTMZRPTHMG-UHFFFAOYSA-N 2 1 346.519 3.191 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001294428701 1382456453 /nfs/dbraw/zinc/45/64/53/1382456453.db2.gz TXYQARSMYJQCCJ-UYAOXDASSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001294428701 1382456458 /nfs/dbraw/zinc/45/64/58/1382456458.db2.gz TXYQARSMYJQCCJ-UYAOXDASSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001294428701 1382456462 /nfs/dbraw/zinc/45/64/62/1382456462.db2.gz TXYQARSMYJQCCJ-UYAOXDASSA-N 2 1 345.531 3.134 20 0 EGADMP Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c(C)c1 ZINC001161644108 1382468641 /nfs/dbraw/zinc/46/86/41/1382468641.db2.gz IALCXVMKIWTLBO-HXUWFJFHSA-N 2 1 345.531 3.020 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001161649490 1382470593 /nfs/dbraw/zinc/47/05/93/1382470593.db2.gz JUEWTLXIJNDUBC-UYAOXDASSA-N 2 1 345.531 3.272 20 0 EGADMP C[NH+](C)CCCCNc1cc(NC(=O)Nc2ccccc2)cc[nH+]1 ZINC001161724721 1382489328 /nfs/dbraw/zinc/48/93/28/1382489328.db2.gz MUOCORYRAUJZQD-UHFFFAOYSA-N 2 1 327.432 3.479 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001161753209 1382494938 /nfs/dbraw/zinc/49/49/38/1382494938.db2.gz IISNORXXTQNOQQ-IBGZPJMESA-N 2 1 329.488 3.485 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NCCC2=CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001161856778 1382532577 /nfs/dbraw/zinc/53/25/77/1382532577.db2.gz FJOXNBJDJLKWID-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NCCC2=CC[N@H+](CCCC3CCCC3)CC2)C1 ZINC001161856778 1382532580 /nfs/dbraw/zinc/53/25/80/1382532580.db2.gz FJOXNBJDJLKWID-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NCCC2=CC[N@@H+](CCCC3CCCC3)CC2)C1 ZINC001161856778 1382532583 /nfs/dbraw/zinc/53/25/83/1382532583.db2.gz FJOXNBJDJLKWID-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161925077 1382556178 /nfs/dbraw/zinc/55/61/78/1382556178.db2.gz WBZYVKWWVQDSSA-RTBURBONSA-N 2 1 349.563 3.434 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161932930 1382558875 /nfs/dbraw/zinc/55/88/75/1382558875.db2.gz XXHKJDSESPIWMX-UHFFFAOYSA-N 2 1 335.536 3.191 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952131 1382567334 /nfs/dbraw/zinc/56/73/34/1382567334.db2.gz DKGAVPMZSHTOIP-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP COCC[N@@H+](C)Cc1ccnc(-n2ccc3cc([C@H](C)[NH3+])ccc32)c1 ZINC001162902584 1382910300 /nfs/dbraw/zinc/91/03/00/1382910300.db2.gz JMLJUVSTVUVFID-HNNXBMFYSA-N 2 1 338.455 3.123 20 0 EGADMP C[NH+](C)Cc1c(F)cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)cc1F ZINC001163066925 1382959819 /nfs/dbraw/zinc/95/98/19/1382959819.db2.gz YQFQNKMBHVYGTO-AWEZNQCLSA-N 2 1 348.441 3.050 20 0 EGADMP Cc1[nH+]c2ccc(NCC[C@H]3CCOC34C[NH2+]C4)cc2n1C(C)C ZINC001163095620 1382963827 /nfs/dbraw/zinc/96/38/27/1382963827.db2.gz UXPQFWGOJMLHJJ-HNNXBMFYSA-N 2 1 328.460 3.106 20 0 EGADMP CC(C)CCC[NH2+]CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001163274986 1383010483 /nfs/dbraw/zinc/01/04/83/1383010483.db2.gz MHKIXJAZCKVWFV-UHFFFAOYSA-N 2 1 325.541 3.173 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001163274616 1383011009 /nfs/dbraw/zinc/01/10/09/1383011009.db2.gz ACEDCYHEXCBKFI-GOSISDBHSA-N 2 1 339.568 3.419 20 0 EGADMP CCOC(=O)c1c[nH]c2cc(N[C@H]3CC[N@H+](C(C)C)C[C@@H]3C)[nH+]cc21 ZINC001163366649 1383032825 /nfs/dbraw/zinc/03/28/25/1383032825.db2.gz WAAVFGGLPHZILL-BBRMVZONSA-N 2 1 344.459 3.270 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001164455590 1383188431 /nfs/dbraw/zinc/18/84/31/1383188431.db2.gz DKUMSFXVAQAJOR-WMZOPIPTSA-N 2 1 349.494 3.105 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001164577874 1383201374 /nfs/dbraw/zinc/20/13/74/1383201374.db2.gz VXPDAFORTVIHKT-OTWHNJEPSA-N 2 1 345.531 3.191 20 0 EGADMP CC[NH+]1CCC(N(C)c2nc(Cl)ccc2C[NH+]2CCCC2)CC1 ZINC001165067249 1383221098 /nfs/dbraw/zinc/22/10/98/1383221098.db2.gz FAPWGYDFUSKHRM-UHFFFAOYSA-N 2 1 336.911 3.251 20 0 EGADMP C[N@H+]1CCC[C@@H](CCNc2c[nH+]c3cccc(Br)n23)C1 ZINC001165289611 1383267167 /nfs/dbraw/zinc/26/71/67/1383267167.db2.gz GTJNWZMUIMGFAC-LBPRGKRZSA-N 2 1 337.265 3.241 20 0 EGADMP [NH3+]C1([C@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)C[C@@H]2CF)CC1 ZINC001165434224 1383296011 /nfs/dbraw/zinc/29/60/11/1383296011.db2.gz PWSSQPMXWKDOFB-BBRMVZONSA-N 2 1 343.450 3.060 20 0 EGADMP C[C@@H]([NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1)c1ccccc1 ZINC001167224456 1383569856 /nfs/dbraw/zinc/56/98/56/1383569856.db2.gz KPTJKOGLQMQNED-QZTJIDSGSA-N 2 1 343.515 3.108 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001167224260 1383570254 /nfs/dbraw/zinc/57/02/54/1383570254.db2.gz IETZTPUZDDLTHW-SFHVURJKSA-N 2 1 347.547 3.237 20 0 EGADMP C[N@@H+](CC(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1)CC(C)(C)C ZINC001167240555 1383573095 /nfs/dbraw/zinc/57/30/95/1383573095.db2.gz NOEOJAGDJLZZLI-UHFFFAOYSA-N 2 1 339.568 3.277 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC001167581319 1383678447 /nfs/dbraw/zinc/67/84/47/1383678447.db2.gz XRLNAFHQSNYSTB-QGZVFWFLSA-N 2 1 342.487 3.254 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC=C(C)C)CC1 ZINC001167694895 1383713634 /nfs/dbraw/zinc/71/36/34/1383713634.db2.gz ZJSBUBGUOBLNPR-LJQANCHMSA-N 2 1 349.563 3.483 20 0 EGADMP CCCC[NH+](CCCC)CCNc1nc(Cl)nc2c1C[NH2+]C2 ZINC001167731901 1383724528 /nfs/dbraw/zinc/72/45/28/1383724528.db2.gz BZDJNVGXEAWDSQ-UHFFFAOYSA-N 2 1 325.888 3.047 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCCC2(C[NH2+]CCC3CCCCC3)CC2)C1 ZINC001167737222 1383725935 /nfs/dbraw/zinc/72/59/35/1383725935.db2.gz OVRZOYNMILGWEL-IBGZPJMESA-N 2 1 349.563 3.175 20 0 EGADMP OCC1(Nc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)CCCC1 ZINC001167805466 1383744434 /nfs/dbraw/zinc/74/44/34/1383744434.db2.gz YNEYKTARHPAMSD-MRXNPFEDSA-N 2 1 328.460 3.068 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](Oc2ncncc2C)C1 ZINC001167833896 1383753017 /nfs/dbraw/zinc/75/30/17/1383753017.db2.gz FLLFQAHLWJTNRK-ZWKOTPCHSA-N 2 1 334.508 3.139 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)N(c1[nH+]cccc1C)C1CC[NH2+]CC1 ZINC001167836386 1383754791 /nfs/dbraw/zinc/75/47/91/1383754791.db2.gz ZDHPTULVWHTSFW-SFHVURJKSA-N 3 1 332.536 3.459 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](Oc2cc(C)ncn2)C1 ZINC001167836254 1383754932 /nfs/dbraw/zinc/75/49/32/1383754932.db2.gz YKGMGZJBCBNWKR-ROUUACIJSA-N 2 1 334.508 3.139 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCN(c2cccc(C)n2)CC1 ZINC001167838749 1383755675 /nfs/dbraw/zinc/75/56/75/1383755675.db2.gz WKDSNWBBKFYHJF-LJQANCHMSA-N 2 1 332.536 3.413 20 0 EGADMP COC(=O)C12CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)(CC1)CC2 ZINC001167958993 1383779103 /nfs/dbraw/zinc/77/91/03/1383779103.db2.gz MANAECDJLDWZKX-CIZJQDALSA-N 2 1 346.515 3.247 20 0 EGADMP OCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(F)cc1 ZINC001167964012 1383780071 /nfs/dbraw/zinc/78/00/71/1383780071.db2.gz KBOUKQXCMAKAQF-NXEWRWPSSA-N 2 1 332.463 3.244 20 0 EGADMP OCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(F)cc1 ZINC001167964012 1383780075 /nfs/dbraw/zinc/78/00/75/1383780075.db2.gz KBOUKQXCMAKAQF-NXEWRWPSSA-N 2 1 332.463 3.244 20 0 EGADMP CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167963814 1383780861 /nfs/dbraw/zinc/78/08/61/1383780861.db2.gz FJKWBLLZBXHBIO-DYDDAFRHSA-N 2 1 349.519 3.037 20 0 EGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[NH+](CC3CCCC3)C1)C2 ZINC001167974852 1383783974 /nfs/dbraw/zinc/78/39/74/1383783974.db2.gz CBQSKLJKXWXPER-UDEWTMQYSA-N 2 1 331.548 3.246 20 0 EGADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC001167974852 1383783976 /nfs/dbraw/zinc/78/39/76/1383783976.db2.gz CBQSKLJKXWXPER-UDEWTMQYSA-N 2 1 331.548 3.246 20 0 EGADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC001167974852 1383783980 /nfs/dbraw/zinc/78/39/80/1383783980.db2.gz CBQSKLJKXWXPER-UDEWTMQYSA-N 2 1 331.548 3.246 20 0 EGADMP CC(C)(C)OC(=O)[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167995832 1383791469 /nfs/dbraw/zinc/79/14/69/1383791469.db2.gz RIGSZGILZNTIMJ-XNHLSEOASA-N 2 1 334.504 3.055 20 0 EGADMP CC(C)(C)OC(=O)[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167995832 1383791472 /nfs/dbraw/zinc/79/14/72/1383791472.db2.gz RIGSZGILZNTIMJ-XNHLSEOASA-N 2 1 334.504 3.055 20 0 EGADMP CC(C)(C)OC(=O)[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995832 1383791475 /nfs/dbraw/zinc/79/14/75/1383791475.db2.gz RIGSZGILZNTIMJ-XNHLSEOASA-N 2 1 334.504 3.055 20 0 EGADMP C[N@H+]1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]1c1ccccc1 ZINC001167995337 1383792200 /nfs/dbraw/zinc/79/22/00/1383792200.db2.gz BBEQKJNULQXFPF-PJEZACDQSA-N 2 1 339.527 3.381 20 0 EGADMP C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@H]1c1ccccc1 ZINC001167995337 1383792202 /nfs/dbraw/zinc/79/22/02/1383792202.db2.gz BBEQKJNULQXFPF-PJEZACDQSA-N 2 1 339.527 3.381 20 0 EGADMP C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H]1c1ccccc1 ZINC001167995337 1383792204 /nfs/dbraw/zinc/79/22/04/1383792204.db2.gz BBEQKJNULQXFPF-PJEZACDQSA-N 2 1 339.527 3.381 20 0 EGADMP CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167995498 1383792260 /nfs/dbraw/zinc/79/22/60/1383792260.db2.gz HRQHQKOYXFUZLV-KAKFPZCNSA-N 2 1 348.531 3.446 20 0 EGADMP CC(C)(C)OC(=O)[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167995498 1383792263 /nfs/dbraw/zinc/79/22/63/1383792263.db2.gz HRQHQKOYXFUZLV-KAKFPZCNSA-N 2 1 348.531 3.446 20 0 EGADMP CC(C)(C)OC(=O)[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995498 1383792264 /nfs/dbraw/zinc/79/22/64/1383792264.db2.gz HRQHQKOYXFUZLV-KAKFPZCNSA-N 2 1 348.531 3.446 20 0 EGADMP Cc1ccc(O[C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)nc1 ZINC001168002816 1383792950 /nfs/dbraw/zinc/79/29/50/1383792950.db2.gz ZIRPGWKSMKRUMY-XNMUZJSGSA-N 2 1 341.499 3.249 20 0 EGADMP Cc1ccc(O[C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)nc1 ZINC001168002816 1383792953 /nfs/dbraw/zinc/79/29/53/1383792953.db2.gz ZIRPGWKSMKRUMY-XNMUZJSGSA-N 2 1 341.499 3.249 20 0 EGADMP Cc1ccc(O[C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)nc1 ZINC001168002816 1383792955 /nfs/dbraw/zinc/79/29/55/1383792955.db2.gz ZIRPGWKSMKRUMY-XNMUZJSGSA-N 2 1 341.499 3.249 20 0 EGADMP O=C(NCCC[NH2+]CC1CCCCCC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168030578 1383799848 /nfs/dbraw/zinc/79/98/48/1383799848.db2.gz QGJQCICWMLNKJF-OALUTQOASA-N 2 1 335.536 3.070 20 0 EGADMP O=C(NCCC[NH2+]CC1CCC2(CC2)CC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168030364 1383800206 /nfs/dbraw/zinc/80/02/06/1383800206.db2.gz NQDGTZRTKJYKIW-MOPGFXCFSA-N 2 1 347.547 3.070 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039264 1383802025 /nfs/dbraw/zinc/80/20/25/1383802025.db2.gz CORSHCHCLZEEPI-WKRCXCSHSA-N 2 1 329.532 3.358 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039261 1383802073 /nfs/dbraw/zinc/80/20/73/1383802073.db2.gz CORSHCHCLZEEPI-IAVZTARUSA-N 2 1 329.532 3.358 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039261 1383802075 /nfs/dbraw/zinc/80/20/75/1383802075.db2.gz CORSHCHCLZEEPI-IAVZTARUSA-N 2 1 329.532 3.358 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039261 1383802077 /nfs/dbraw/zinc/80/20/77/1383802077.db2.gz CORSHCHCLZEEPI-IAVZTARUSA-N 2 1 329.532 3.358 20 0 EGADMP Cc1[nH+]cc2n1CCN(C1C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001168047905 1383804822 /nfs/dbraw/zinc/80/48/22/1383804822.db2.gz SVOVRGPLHDCSFA-IAGOWNOFSA-N 2 1 338.499 3.449 20 0 EGADMP C[C@@H]1C[C@@H](N2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168055846 1383805878 /nfs/dbraw/zinc/80/58/78/1383805878.db2.gz YCJXRRJFDCELOT-KOUHRCEDSA-N 2 1 329.532 3.454 20 0 EGADMP CCOC(=O)CC[N@@H+](C)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168064714 1383808108 /nfs/dbraw/zinc/80/81/08/1383808108.db2.gz RLQOZKVXLPGESE-IAGOWNOFSA-N 2 1 332.488 3.313 20 0 EGADMP C[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)[C@@H](C)CN1Cc1ccccc1 ZINC001168315759 1383871204 /nfs/dbraw/zinc/87/12/04/1383871204.db2.gz NOICXJYYXIJHSW-BDWAOYLISA-N 2 1 329.532 3.454 20 0 EGADMP CCOC(=O)[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)C[C@H]2CCCC[C@@H]12 ZINC001168319039 1383871565 /nfs/dbraw/zinc/87/15/65/1383871565.db2.gz MJCVHFBGVCWNAG-VVUWUOFOSA-N 2 1 336.520 3.161 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001168335834 1383876636 /nfs/dbraw/zinc/87/66/36/1383876636.db2.gz VVWZWKIUOLJVEN-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001168369342 1383886389 /nfs/dbraw/zinc/88/63/89/1383886389.db2.gz PMSAVTYTKJWPPE-UHFFFAOYSA-N 2 1 346.519 3.038 20 0 EGADMP COc1ccc(CC[N@@H+](C)C2CC[NH+](CC3CC3)CC2)cc1OC ZINC001168373860 1383888449 /nfs/dbraw/zinc/88/84/49/1383888449.db2.gz WAGQJDUVWIFBDX-UHFFFAOYSA-N 2 1 332.488 3.053 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1C1CC[NH+](CC2CC2)CC1 ZINC001168389569 1383892535 /nfs/dbraw/zinc/89/25/35/1383892535.db2.gz RXGBHJLCIYPVJH-NRFANRHFSA-N 2 1 341.543 3.457 20 0 EGADMP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168395188 1383894768 /nfs/dbraw/zinc/89/47/68/1383894768.db2.gz PLUNJHCEIOGVOS-LJQANCHMSA-N 2 1 348.531 3.306 20 0 EGADMP Fc1ccc(N2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168395179 1383894953 /nfs/dbraw/zinc/89/49/53/1383894953.db2.gz PDAUQOWUDMSTIX-UHFFFAOYSA-N 2 1 331.479 3.212 20 0 EGADMP COc1ccc([C@H]2C[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)CCO2)cc1 ZINC001168597447 1383944989 /nfs/dbraw/zinc/94/49/89/1383944989.db2.gz AXVMNHKXSQYQLR-FXAWDEMLSA-N 2 1 330.472 3.132 20 0 EGADMP COc1ccc([C@@H]2C[C@H]([N@@H+](C)CC3CC[NH+](C)CC3)CCO2)cc1 ZINC001168653029 1383959124 /nfs/dbraw/zinc/95/91/24/1383959124.db2.gz LENIVMYLPYYCEN-QUCCMNQESA-N 2 1 332.488 3.189 20 0 EGADMP Cc1sc2nc(C[NH+](C)C)nc(NCC(C)(C)C[NH+](C)C)c2c1C ZINC001168766489 1383996037 /nfs/dbraw/zinc/99/60/37/1383996037.db2.gz LWJFGMACVYBVCF-UHFFFAOYSA-N 2 1 349.548 3.369 20 0 EGADMP CCc1cc(-n2cc(C[C@@](C)([NH3+])C(=O)OC)c3ccccc32)cc[nH+]1 ZINC001169113235 1384108776 /nfs/dbraw/zinc/10/87/76/1384108776.db2.gz NWIQCLFVVRGFKT-HXUWFJFHSA-N 2 1 337.423 3.021 20 0 EGADMP CCc1cc(-n2cc(C[C@](C)([NH3+])C(=O)OC)c3ccccc32)cc[nH+]1 ZINC001169113234 1384108823 /nfs/dbraw/zinc/10/88/23/1384108823.db2.gz NWIQCLFVVRGFKT-FQEVSTJZSA-N 2 1 337.423 3.021 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccc(F)cc3)CCOCC1)C2 ZINC001169116979 1384109200 /nfs/dbraw/zinc/10/92/00/1384109200.db2.gz VJSMUVMHCGZENI-ACDBMABISA-N 2 1 346.490 3.380 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(OCC3CCOCC3)cc1)C2 ZINC001169115748 1384109309 /nfs/dbraw/zinc/10/93/09/1384109309.db2.gz OBGIRIMXTPPZMY-ACDBMABISA-N 2 1 344.499 3.207 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH3+])(c3ccccc3Cl)CC1)C2 ZINC001169118753 1384109560 /nfs/dbraw/zinc/10/95/60/1384109560.db2.gz MXYVGDHNTOVGGT-MUJYYYPQSA-N 2 1 333.907 3.215 20 0 EGADMP CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123017 1384110487 /nfs/dbraw/zinc/11/04/87/1384110487.db2.gz HJAXLDCLTDVGNX-NXOAAHMSSA-N 2 1 339.524 3.141 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124820 1384110574 /nfs/dbraw/zinc/11/05/74/1384110574.db2.gz UIMCXLVBKFQGGG-BLCKVISQSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124820 1384110576 /nfs/dbraw/zinc/11/05/76/1384110576.db2.gz UIMCXLVBKFQGGG-BLCKVISQSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124820 1384110577 /nfs/dbraw/zinc/11/05/77/1384110577.db2.gz UIMCXLVBKFQGGG-BLCKVISQSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124820 1384110581 /nfs/dbraw/zinc/11/05/81/1384110581.db2.gz UIMCXLVBKFQGGG-BLCKVISQSA-N 3 1 341.543 3.359 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124820 1384110583 /nfs/dbraw/zinc/11/05/83/1384110583.db2.gz UIMCXLVBKFQGGG-BLCKVISQSA-N 3 1 341.543 3.359 20 0 EGADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124820 1384110585 /nfs/dbraw/zinc/11/05/85/1384110585.db2.gz UIMCXLVBKFQGGG-BLCKVISQSA-N 3 1 341.543 3.359 20 0 EGADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124820 1384110586 /nfs/dbraw/zinc/11/05/86/1384110586.db2.gz UIMCXLVBKFQGGG-BLCKVISQSA-N 3 1 341.543 3.359 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129936 1384110850 /nfs/dbraw/zinc/11/08/50/1384110850.db2.gz MGMWMQWUGJWBJV-CLWJZODNSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129936 1384110852 /nfs/dbraw/zinc/11/08/52/1384110852.db2.gz MGMWMQWUGJWBJV-CLWJZODNSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129936 1384110854 /nfs/dbraw/zinc/11/08/54/1384110854.db2.gz MGMWMQWUGJWBJV-CLWJZODNSA-N 2 1 349.519 3.087 20 0 EGADMP COc1ccc([C@H]2CSCC[N@@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169142728 1384113326 /nfs/dbraw/zinc/11/33/26/1384113326.db2.gz UWMDIKWLKBFAIF-VUHPKUFZSA-N 2 1 332.513 3.410 20 0 EGADMP COc1ccc([C@H]2CSCC[N@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169142728 1384113329 /nfs/dbraw/zinc/11/33/29/1384113329.db2.gz UWMDIKWLKBFAIF-VUHPKUFZSA-N 2 1 332.513 3.410 20 0 EGADMP COc1ccc([C@H]2CSCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169142728 1384113335 /nfs/dbraw/zinc/11/33/35/1384113335.db2.gz UWMDIKWLKBFAIF-VUHPKUFZSA-N 2 1 332.513 3.410 20 0 EGADMP COc1ccc([C@H]2CSCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169142728 1384113337 /nfs/dbraw/zinc/11/33/37/1384113337.db2.gz UWMDIKWLKBFAIF-VUHPKUFZSA-N 2 1 332.513 3.410 20 0 EGADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169152973 1384115827 /nfs/dbraw/zinc/11/58/27/1384115827.db2.gz GVKWWRSRPLWDBG-WKCHPHFGSA-N 2 1 345.506 3.347 20 0 EGADMP C[NH+](Cc1ccc(F)cc1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169152973 1384115829 /nfs/dbraw/zinc/11/58/29/1384115829.db2.gz GVKWWRSRPLWDBG-WKCHPHFGSA-N 2 1 345.506 3.347 20 0 EGADMP C[NH+](Cc1ccc(F)cc1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169152973 1384115831 /nfs/dbraw/zinc/11/58/31/1384115831.db2.gz GVKWWRSRPLWDBG-WKCHPHFGSA-N 2 1 345.506 3.347 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169160015 1384117124 /nfs/dbraw/zinc/11/71/24/1384117124.db2.gz AEXGEMIEMAQCGE-KCUHQSDYSA-N 2 1 331.479 3.130 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169160015 1384117127 /nfs/dbraw/zinc/11/71/27/1384117127.db2.gz AEXGEMIEMAQCGE-KCUHQSDYSA-N 2 1 331.479 3.130 20 0 EGADMP CCc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC001308344368 1384120638 /nfs/dbraw/zinc/12/06/38/1384120638.db2.gz GYTNQMADNNTNAB-QFIPXVFZSA-N 2 1 338.495 3.496 20 0 EGADMP CC[NH+]1CCC(N2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169268125 1384130379 /nfs/dbraw/zinc/13/03/79/1384130379.db2.gz GXORQVDUSYFIMC-SFTDATJTSA-N 2 1 341.543 3.315 20 0 EGADMP CCN1CCC([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169268125 1384130381 /nfs/dbraw/zinc/13/03/81/1384130381.db2.gz GXORQVDUSYFIMC-SFTDATJTSA-N 2 1 341.543 3.315 20 0 EGADMP CCN1CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169268125 1384130383 /nfs/dbraw/zinc/13/03/83/1384130383.db2.gz GXORQVDUSYFIMC-SFTDATJTSA-N 2 1 341.543 3.315 20 0 EGADMP CCN1CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169268125 1384130385 /nfs/dbraw/zinc/13/03/85/1384130385.db2.gz GXORQVDUSYFIMC-SFTDATJTSA-N 2 1 341.543 3.315 20 0 EGADMP CCN1CCC([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169268125 1384130387 /nfs/dbraw/zinc/13/03/87/1384130387.db2.gz GXORQVDUSYFIMC-SFTDATJTSA-N 2 1 341.543 3.315 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H]1C[C@H]1c1ccccc1 ZINC001308740818 1384146144 /nfs/dbraw/zinc/14/61/44/1384146144.db2.gz OMRQWTNVWPWEDR-NJYVYQBISA-N 2 1 329.532 3.138 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001169483533 1384153116 /nfs/dbraw/zinc/15/31/16/1384153116.db2.gz DRSVMGNTTAZOGC-ICSRJNTNSA-N 2 1 345.531 3.087 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001169483533 1384153117 /nfs/dbraw/zinc/15/31/17/1384153117.db2.gz DRSVMGNTTAZOGC-ICSRJNTNSA-N 2 1 345.531 3.087 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001169483533 1384153119 /nfs/dbraw/zinc/15/31/19/1384153119.db2.gz DRSVMGNTTAZOGC-ICSRJNTNSA-N 2 1 345.531 3.087 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001169483531 1384153160 /nfs/dbraw/zinc/15/31/60/1384153160.db2.gz DRSVMGNTTAZOGC-AZUAARDMSA-N 2 1 345.531 3.087 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001169483531 1384153162 /nfs/dbraw/zinc/15/31/62/1384153162.db2.gz DRSVMGNTTAZOGC-AZUAARDMSA-N 2 1 345.531 3.087 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001169483531 1384153164 /nfs/dbraw/zinc/15/31/64/1384153164.db2.gz DRSVMGNTTAZOGC-AZUAARDMSA-N 2 1 345.531 3.087 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001169542433 1384157707 /nfs/dbraw/zinc/15/77/07/1384157707.db2.gz VTXWNSQLKHHJAU-YQVWRLOYSA-N 2 1 345.531 3.180 20 0 EGADMP CC[C@@H]1C[C@@H]([NH2+]C2(C[NH3+])CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170478606 1384327378 /nfs/dbraw/zinc/32/73/78/1384327378.db2.gz NPJBWGHYIDUWQL-QKDCVEJESA-N 2 1 325.497 3.024 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)C1 ZINC001170746427 1384377026 /nfs/dbraw/zinc/37/70/26/1384377026.db2.gz MMKXEQYFYJLKSF-OWYHZJEWSA-N 2 1 348.531 3.161 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)C1 ZINC001170746427 1384377028 /nfs/dbraw/zinc/37/70/28/1384377028.db2.gz MMKXEQYFYJLKSF-OWYHZJEWSA-N 2 1 348.531 3.161 20 0 EGADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170847715 1384397759 /nfs/dbraw/zinc/39/77/59/1384397759.db2.gz FNABCKQKAMOPEK-MRXNPFEDSA-N 2 1 325.294 3.367 20 0 EGADMP COc1cc2[nH+]ccn2cc1-n1cc(C[C@H](C)[NH3+])c2ccc(C)cc21 ZINC001171169587 1384459291 /nfs/dbraw/zinc/45/92/91/1384459291.db2.gz PXERCPIXQHANAQ-AWEZNQCLSA-N 2 1 334.423 3.485 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001171248494 1384478249 /nfs/dbraw/zinc/47/82/49/1384478249.db2.gz VWHBEAARXRDBCJ-RBUKOAKNSA-N 2 1 337.552 3.480 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001171248355 1384478292 /nfs/dbraw/zinc/47/82/92/1384478292.db2.gz TULRUSGHGXPWSR-HKUYNNGSSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171254461 1384479876 /nfs/dbraw/zinc/47/98/76/1384479876.db2.gz RMBZJJJVKJQUGG-ROUUACIJSA-N 2 1 339.568 3.418 20 0 EGADMP COc1ccc(Cl)c2c1C[C@@H]([N@@H+](C)CC1CC[NH+](C)CC1)CC2 ZINC001171324458 1384495077 /nfs/dbraw/zinc/49/50/77/1384495077.db2.gz YVWYVPGHRKJKAZ-HNNXBMFYSA-N 2 1 336.907 3.480 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171330816 1384496210 /nfs/dbraw/zinc/49/62/10/1384496210.db2.gz VIOFDZFBLFRSQU-IEBWSBKVSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171538914 1384556364 /nfs/dbraw/zinc/55/63/64/1384556364.db2.gz PPWGQYAYDORALD-ZWKOTPCHSA-N 2 1 325.541 3.172 20 0 EGADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCc4cc(F)c(F)c(F)c4C3)C2)CC1 ZINC001171544749 1384558824 /nfs/dbraw/zinc/55/88/24/1384558824.db2.gz ZGSVXTZUIIUTJT-CQSZACIVSA-N 2 1 338.417 3.379 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171545694 1384558999 /nfs/dbraw/zinc/55/89/99/1384558999.db2.gz FWCPBUKWPIVKDT-PKOBYXMFSA-N 2 1 337.552 3.316 20 0 EGADMP Cc1cccc2c1CC[C@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C2 ZINC001171559825 1384562331 /nfs/dbraw/zinc/56/23/31/1384562331.db2.gz ODHWEAGLSDTOBR-SFHVURJKSA-N 3 1 331.548 3.328 20 0 EGADMP COc1cccc([C@@H](CCO)[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171620209 1384582296 /nfs/dbraw/zinc/58/22/96/1384582296.db2.gz ZCNFVQMYJYLJHF-GOSISDBHSA-N 2 1 334.504 3.360 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)CC1(C)C ZINC001171631605 1384586376 /nfs/dbraw/zinc/58/63/76/1384586376.db2.gz KWLVHFTUFFLGHY-ZIAGYGMSSA-N 2 1 336.442 3.273 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CCCN(c3ccccn3)CC2)CC1(C)C ZINC001171631962 1384586451 /nfs/dbraw/zinc/58/64/51/1384586451.db2.gz REHBSISEZFPHOF-UHFFFAOYSA-N 2 1 330.520 3.245 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001171646021 1384591073 /nfs/dbraw/zinc/59/10/73/1384591073.db2.gz HBJDTXVUWRBYLP-MJGOQNOKSA-N 2 1 337.552 3.172 20 0 EGADMP Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)cc1 ZINC001171666707 1384595646 /nfs/dbraw/zinc/59/56/46/1384595646.db2.gz PHZRTRLVGZSIPK-WIYYLYMNSA-N 2 1 330.516 3.407 20 0 EGADMP Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)cc1 ZINC001171666707 1384595650 /nfs/dbraw/zinc/59/56/50/1384595650.db2.gz PHZRTRLVGZSIPK-WIYYLYMNSA-N 2 1 330.516 3.407 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001171732124 1384618340 /nfs/dbraw/zinc/61/83/40/1384618340.db2.gz WKELONZUSLNTQD-UHFFFAOYSA-N 2 1 325.541 3.175 20 0 EGADMP Fc1cccc2c1C[C@H]([N@@H+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001171804970 1384643064 /nfs/dbraw/zinc/64/30/64/1384643064.db2.gz IVQFJWROXFXERI-HSALFYBXSA-N 2 1 336.454 3.357 20 0 EGADMP Fc1cccc2c1C[C@H]([NH+]1C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001171804970 1384643071 /nfs/dbraw/zinc/64/30/71/1384643071.db2.gz IVQFJWROXFXERI-HSALFYBXSA-N 2 1 336.454 3.357 20 0 EGADMP Fc1cccc2c1C[C@H]([NH+]1C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001171804970 1384643077 /nfs/dbraw/zinc/64/30/77/1384643077.db2.gz IVQFJWROXFXERI-HSALFYBXSA-N 2 1 336.454 3.357 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001171820852 1384650885 /nfs/dbraw/zinc/65/08/85/1384650885.db2.gz HTNADIZIRILAKZ-INIZCTEOSA-N 2 1 334.508 3.036 20 0 EGADMP CCCC[N@H+](CC)CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171866785 1384666029 /nfs/dbraw/zinc/66/60/29/1384666029.db2.gz OIRFKLLEIPSBMY-FQEVSTJZSA-N 2 1 345.531 3.393 20 0 EGADMP CCCC[N@@H+](CC)CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171866785 1384666030 /nfs/dbraw/zinc/66/60/30/1384666030.db2.gz OIRFKLLEIPSBMY-FQEVSTJZSA-N 2 1 345.531 3.393 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001171918216 1384681579 /nfs/dbraw/zinc/68/15/79/1384681579.db2.gz MTQYUDXBXFBPDU-QGZVFWFLSA-N 2 1 337.552 3.316 20 0 EGADMP CC1(C)C[C@H](NCC(=O)N2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171964609 1384697568 /nfs/dbraw/zinc/69/75/68/1384697568.db2.gz GVFOIVKPLFNJRZ-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP CC1(C)C[C@H]([NH2+]CC(=O)N2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171964609 1384697569 /nfs/dbraw/zinc/69/75/69/1384697569.db2.gz GVFOIVKPLFNJRZ-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP CC1(C)C[C@H]([NH2+]CC(=O)N2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171964609 1384697570 /nfs/dbraw/zinc/69/75/70/1384697570.db2.gz GVFOIVKPLFNJRZ-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977283 1384700912 /nfs/dbraw/zinc/70/09/12/1384700912.db2.gz ATIRWUAOBZPMOQ-GUDVDZBRSA-N 2 1 344.499 3.361 20 0 EGADMP COC(=O)CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171979641 1384702763 /nfs/dbraw/zinc/70/27/63/1384702763.db2.gz MSIFNUOCWPGDSM-GOSISDBHSA-N 2 1 332.488 3.363 20 0 EGADMP Cc1nc2c(n1[C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C[NH2+]CC2 ZINC001171987803 1384705003 /nfs/dbraw/zinc/70/50/03/1384705003.db2.gz KASBRJFHRDCVLK-GOSISDBHSA-N 2 1 338.499 3.453 20 0 EGADMP C[N@H+]1CC[C@@]2(CCN([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987317 1384705674 /nfs/dbraw/zinc/70/56/74/1384705674.db2.gz UFQLTCSOTJXBND-RBBKRZOGSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+]1CC[C@@]2(CCN([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987317 1384705687 /nfs/dbraw/zinc/70/56/87/1384705687.db2.gz UFQLTCSOTJXBND-RBBKRZOGSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+]1CC[C@@]2(CCN([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987317 1384705693 /nfs/dbraw/zinc/70/56/93/1384705693.db2.gz UFQLTCSOTJXBND-RBBKRZOGSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+]1CC2(C1)CCN([C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171987390 1384706286 /nfs/dbraw/zinc/70/62/86/1384706286.db2.gz UOKWPAZIMPIUDY-FQEVSTJZSA-N 2 1 341.543 3.457 20 0 EGADMP CC[N@H+](CCC(=O)OC)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171986695 1384706975 /nfs/dbraw/zinc/70/69/75/1384706975.db2.gz KTIPGLOILRZUKV-GOSISDBHSA-N 2 1 332.488 3.315 20 0 EGADMP CC[N@@H+](CCC(=O)OC)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171986695 1384706976 /nfs/dbraw/zinc/70/69/76/1384706976.db2.gz KTIPGLOILRZUKV-GOSISDBHSA-N 2 1 332.488 3.315 20 0 EGADMP CC[NH+](CCC(=O)OC)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986695 1384706978 /nfs/dbraw/zinc/70/69/78/1384706978.db2.gz KTIPGLOILRZUKV-GOSISDBHSA-N 2 1 332.488 3.315 20 0 EGADMP CC[NH+](CCC(=O)OC)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986695 1384706984 /nfs/dbraw/zinc/70/69/84/1384706984.db2.gz KTIPGLOILRZUKV-GOSISDBHSA-N 2 1 332.488 3.315 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172004927 1384708417 /nfs/dbraw/zinc/70/84/17/1384708417.db2.gz LJCWUBPHMBXEEU-SNRMKQJTSA-N 2 1 333.520 3.044 20 0 EGADMP Cc1nn(C)cc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062972 1384714951 /nfs/dbraw/zinc/71/49/51/1384714951.db2.gz UPHSCWATSHVBQK-MZADTFQBSA-N 2 1 338.499 3.404 20 0 EGADMP Cc1nn(C)cc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062972 1384714967 /nfs/dbraw/zinc/71/49/67/1384714967.db2.gz UPHSCWATSHVBQK-MZADTFQBSA-N 2 1 338.499 3.404 20 0 EGADMP CCOC(=O)[C@H](C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065000 1384716422 /nfs/dbraw/zinc/71/64/22/1384716422.db2.gz GYZAWOYPEQZPKO-AFYVEPGGSA-N 2 1 344.499 3.361 20 0 EGADMP COC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065411 1384716452 /nfs/dbraw/zinc/71/64/52/1384716452.db2.gz MMJICSWAEGLMMS-YCKXBTPASA-N 2 1 342.483 3.113 20 0 EGADMP C[C@H]1CC[C@@H](CO)[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172067110 1384716750 /nfs/dbraw/zinc/71/67/50/1384716750.db2.gz AQHMGVBKNQPPEK-RQUKQETFSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@H]1CC[C@@H](CO)[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172067110 1384716751 /nfs/dbraw/zinc/71/67/51/1384716751.db2.gz AQHMGVBKNQPPEK-RQUKQETFSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@H]1CC[C@@H](CO)[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067110 1384716752 /nfs/dbraw/zinc/71/67/52/1384716752.db2.gz AQHMGVBKNQPPEK-RQUKQETFSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@H]1CC[C@@H](CO)[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067110 1384716753 /nfs/dbraw/zinc/71/67/53/1384716753.db2.gz AQHMGVBKNQPPEK-RQUKQETFSA-N 2 1 328.500 3.417 20 0 EGADMP CCCC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(N)=O ZINC001172068305 1384716951 /nfs/dbraw/zinc/71/69/51/1384716951.db2.gz JTMDQBHRWCZAMT-YRPNKDGESA-N 2 1 343.515 3.206 20 0 EGADMP CCCC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(N)=O ZINC001172068305 1384716955 /nfs/dbraw/zinc/71/69/55/1384716955.db2.gz JTMDQBHRWCZAMT-YRPNKDGESA-N 2 1 343.515 3.206 20 0 EGADMP CC[C@H](C)[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(N)=O ZINC001172071972 1384717941 /nfs/dbraw/zinc/71/79/41/1384717941.db2.gz JWEMVAFVNZKJNQ-UVBQOVKKSA-N 2 1 343.515 3.062 20 0 EGADMP O[C@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)(F)F ZINC001172072434 1384720934 /nfs/dbraw/zinc/72/09/34/1384720934.db2.gz MMRBLYKAEIYLNF-WCXIOVBPSA-N 2 1 342.405 3.085 20 0 EGADMP O[C@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)(F)F ZINC001172072434 1384720937 /nfs/dbraw/zinc/72/09/37/1384720937.db2.gz MMRBLYKAEIYLNF-WCXIOVBPSA-N 2 1 342.405 3.085 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CC[NH+](C4CC4)CC2)C3)cc1 ZINC001172080052 1384721106 /nfs/dbraw/zinc/72/11/06/1384721106.db2.gz SLCMBISTOYGUJS-KOUNCHBCSA-N 2 1 339.527 3.352 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC001172100231 1384727311 /nfs/dbraw/zinc/72/73/11/1384727311.db2.gz BOUDGGDYKJLJGT-WOZUAGRISA-N 2 1 327.516 3.428 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)C2 ZINC001172109081 1384727854 /nfs/dbraw/zinc/72/78/54/1384727854.db2.gz ARUKSEQHKYMRIK-PHZGNYQRSA-N 2 1 337.508 3.039 20 0 EGADMP CCOC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001172111518 1384729534 /nfs/dbraw/zinc/72/95/34/1384729534.db2.gz RWOKCCMYBVPCIH-RDGPPVDQSA-N 2 1 330.472 3.286 20 0 EGADMP CCOC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172111518 1384729535 /nfs/dbraw/zinc/72/95/35/1384729535.db2.gz RWOKCCMYBVPCIH-RDGPPVDQSA-N 2 1 330.472 3.286 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H]1CCC[NH+]1Cc1ccccc1)C2 ZINC001172110987 1384730243 /nfs/dbraw/zinc/73/02/43/1384730243.db2.gz NKHYTZYXXVBFPS-WOZUAGRISA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC001172110987 1384730246 /nfs/dbraw/zinc/73/02/46/1384730246.db2.gz NKHYTZYXXVBFPS-WOZUAGRISA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC001172110987 1384730248 /nfs/dbraw/zinc/73/02/48/1384730248.db2.gz NKHYTZYXXVBFPS-WOZUAGRISA-N 2 1 327.516 3.256 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)C2 ZINC001172110987 1384730251 /nfs/dbraw/zinc/73/02/51/1384730251.db2.gz NKHYTZYXXVBFPS-WOZUAGRISA-N 2 1 327.516 3.256 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)C2 ZINC001172110987 1384730253 /nfs/dbraw/zinc/73/02/53/1384730253.db2.gz NKHYTZYXXVBFPS-WOZUAGRISA-N 2 1 327.516 3.256 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)C2 ZINC001172116280 1384733203 /nfs/dbraw/zinc/73/32/03/1384733203.db2.gz ZUKPBSDBUDBSPY-NNZMDNLPSA-N 2 1 335.536 3.019 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)C2 ZINC001172116280 1384733207 /nfs/dbraw/zinc/73/32/07/1384733207.db2.gz ZUKPBSDBUDBSPY-NNZMDNLPSA-N 2 1 335.536 3.019 20 0 EGADMP CCOC(=O)CC[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172116821 1384733607 /nfs/dbraw/zinc/73/36/07/1384733607.db2.gz GVMGAOUKWGQIIF-ACDBMABISA-N 2 1 344.499 3.457 20 0 EGADMP CCOC(=O)CC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172116821 1384733608 /nfs/dbraw/zinc/73/36/08/1384733608.db2.gz GVMGAOUKWGQIIF-ACDBMABISA-N 2 1 344.499 3.457 20 0 EGADMP CCOC(=O)CC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172116821 1384733611 /nfs/dbraw/zinc/73/36/11/1384733611.db2.gz GVMGAOUKWGQIIF-ACDBMABISA-N 2 1 344.499 3.457 20 0 EGADMP CCOC(=O)CC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172116821 1384733612 /nfs/dbraw/zinc/73/36/12/1384733612.db2.gz GVMGAOUKWGQIIF-ACDBMABISA-N 2 1 344.499 3.457 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C(=O)N3CCCCCC3)CC1)C2 ZINC001172123131 1384733919 /nfs/dbraw/zinc/73/39/19/1384733919.db2.gz YKSRFMUTFUSHHL-ACDBMABISA-N 2 1 347.547 3.116 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C(=O)N3CCCCCC3)CC1)C2 ZINC001172123131 1384733922 /nfs/dbraw/zinc/73/39/22/1384733922.db2.gz YKSRFMUTFUSHHL-ACDBMABISA-N 2 1 347.547 3.116 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172235470 1384753694 /nfs/dbraw/zinc/75/36/94/1384753694.db2.gz GZQYWXUIVLTEHE-LJRDSGNISA-N 2 1 330.447 3.384 20 0 EGADMP COCCC[NH+]1CCC([NH2+]C2(Cc3ccc(OC)cc3)CCC2)CC1 ZINC001172248916 1384755469 /nfs/dbraw/zinc/75/54/69/1384755469.db2.gz SOGONPYTRCEXTC-UHFFFAOYSA-N 2 1 346.515 3.251 20 0 EGADMP COCCC[NH+]1CCC([NH2+]C2(c3ccc(OC)cc3)CCC2)CC1 ZINC001172250137 1384756107 /nfs/dbraw/zinc/75/61/07/1384756107.db2.gz QLCZAVISZNROTP-UHFFFAOYSA-N 2 1 332.488 3.165 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3COC(C)(C)C3)C[C@@H]21 ZINC001172288749 1384760746 /nfs/dbraw/zinc/76/07/46/1384760746.db2.gz ZDDAAKTXFCCQSO-BTHPGYMESA-N 2 1 343.515 3.181 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3COC(C)(C)C3)C[C@@H]21 ZINC001172288749 1384760749 /nfs/dbraw/zinc/76/07/49/1384760749.db2.gz ZDDAAKTXFCCQSO-BTHPGYMESA-N 2 1 343.515 3.181 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3COC(C)(C)C3)C[C@@H]21 ZINC001172288749 1384760752 /nfs/dbraw/zinc/76/07/52/1384760752.db2.gz ZDDAAKTXFCCQSO-BTHPGYMESA-N 2 1 343.515 3.181 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3COC(C)(C)C3)C[C@@H]21 ZINC001172288749 1384760756 /nfs/dbraw/zinc/76/07/56/1384760756.db2.gz ZDDAAKTXFCCQSO-BTHPGYMESA-N 2 1 343.515 3.181 20 0 EGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)C[C@H]1C ZINC001172374925 1384780122 /nfs/dbraw/zinc/78/01/22/1384780122.db2.gz QFBZLEHNQIBLJC-YCXYWVQESA-N 2 1 334.548 3.491 20 0 EGADMP C[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)C[C@H]1C ZINC001172374925 1384780125 /nfs/dbraw/zinc/78/01/25/1384780125.db2.gz QFBZLEHNQIBLJC-YCXYWVQESA-N 2 1 334.548 3.491 20 0 EGADMP C[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)C[C@H]1C ZINC001172374925 1384780128 /nfs/dbraw/zinc/78/01/28/1384780128.db2.gz QFBZLEHNQIBLJC-YCXYWVQESA-N 2 1 334.548 3.491 20 0 EGADMP CC[C@@H](CC(C)C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001172401287 1384785103 /nfs/dbraw/zinc/78/51/03/1384785103.db2.gz LSWUVGDPOWBLQA-XUVXKRRUSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)COCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001172456714 1384797051 /nfs/dbraw/zinc/79/70/51/1384797051.db2.gz HOSJHERWJWUPEW-SFHVURJKSA-N 2 1 334.504 3.060 20 0 EGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H](C)CCOCC(C)C)CC1 ZINC001172475186 1384801593 /nfs/dbraw/zinc/80/15/93/1384801593.db2.gz GEYIMJFLKFSGOH-IEBWSBKVSA-N 2 1 326.525 3.013 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H](C)CCOCC(C)C)CC1 ZINC001172475186 1384801597 /nfs/dbraw/zinc/80/15/97/1384801597.db2.gz GEYIMJFLKFSGOH-IEBWSBKVSA-N 2 1 326.525 3.013 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[C@@H](C[N@@H+](C)CCCC3CCC3)C2)CC1 ZINC001317040078 1384812653 /nfs/dbraw/zinc/81/26/53/1384812653.db2.gz WHZWUKTXAMHNCZ-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001317040829 1384813507 /nfs/dbraw/zinc/81/35/07/1384813507.db2.gz AFNHJOYHGKXSQC-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172665803 1384829757 /nfs/dbraw/zinc/82/97/57/1384829757.db2.gz NXBLWAAKADYTFY-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP [NH3+]CCC[C@H]1CCCC[N@H+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172667289 1384830383 /nfs/dbraw/zinc/83/03/83/1384830383.db2.gz DSDSSFHYVKRINQ-UXHICEINSA-N 2 1 343.515 3.019 20 0 EGADMP CC(C)OC(=O)CC[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001172752404 1384843820 /nfs/dbraw/zinc/84/38/20/1384843820.db2.gz RCTPWODNZWMWPP-QGZVFWFLSA-N 2 1 336.520 3.447 20 0 EGADMP CC(C)OC(=O)CC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001172752404 1384843824 /nfs/dbraw/zinc/84/38/24/1384843824.db2.gz RCTPWODNZWMWPP-QGZVFWFLSA-N 2 1 336.520 3.447 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001172792959 1384852841 /nfs/dbraw/zinc/85/28/41/1384852841.db2.gz VMBHZUSMEXKRPL-QYZOEREBSA-N 2 1 336.520 3.449 20 0 EGADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172847890 1384865632 /nfs/dbraw/zinc/86/56/32/1384865632.db2.gz OFFZPRCZDFDOHV-IHRRRGAJSA-N 2 1 340.870 3.381 20 0 EGADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001172952564 1384888431 /nfs/dbraw/zinc/88/84/31/1384888431.db2.gz GQPBODOBTBPTAP-IRXDYDNUSA-N 2 1 341.540 3.486 20 0 EGADMP CCCOC1CCC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC001173089897 1384912526 /nfs/dbraw/zinc/91/25/26/1384912526.db2.gz BIHDWTZYWXBUPG-UHFFFAOYSA-N 2 1 346.515 3.346 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1)[NH+](C)C ZINC001317145073 1384913229 /nfs/dbraw/zinc/91/32/29/1384913229.db2.gz WVDWIWAUKNUXBZ-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@](O)(C(F)(F)F)CC2)CC1 ZINC001173108338 1384916227 /nfs/dbraw/zinc/91/62/27/1384916227.db2.gz CDRJRCMOPFOXRT-UYSNPLJNSA-N 2 1 336.442 3.419 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](Oc3ncc(C)cn3)C2)CC1 ZINC001173114077 1384917468 /nfs/dbraw/zinc/91/74/68/1384917468.db2.gz VENMUWJKMVPIMD-ACBHZAAOSA-N 2 1 346.519 3.281 20 0 EGADMP c1csc(C[NH+]2C[C@@H]3C[NH+]([C@H]4CCc5ncsc5C4)C[C@H]3C2)c1 ZINC001173133274 1384920599 /nfs/dbraw/zinc/92/05/99/1384920599.db2.gz NFBIMJWAZNMOHN-KFWWJZLASA-N 2 1 345.537 3.126 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001317178588 1384952764 /nfs/dbraw/zinc/95/27/64/1384952764.db2.gz CCBOHNACQGCUIA-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001317178588 1384952766 /nfs/dbraw/zinc/95/27/66/1384952766.db2.gz CCBOHNACQGCUIA-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001317178588 1384952768 /nfs/dbraw/zinc/95/27/68/1384952768.db2.gz CCBOHNACQGCUIA-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP CCOC(=O)[C@H]1CC12CCC([NH+]1CCC([N@@H+](C)C3CC3)CC1)CC2 ZINC001173618351 1384989507 /nfs/dbraw/zinc/98/95/07/1384989507.db2.gz FZHUQHDQSVSGSP-QPIRBTGLSA-N 2 1 334.504 3.057 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001173635177 1384993343 /nfs/dbraw/zinc/99/33/43/1384993343.db2.gz UMRRKUYIPAJDMQ-OTWHNJEPSA-N 2 1 336.520 3.353 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001173635177 1384993349 /nfs/dbraw/zinc/99/33/49/1384993349.db2.gz UMRRKUYIPAJDMQ-OTWHNJEPSA-N 2 1 336.520 3.353 20 0 EGADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173686861 1385004096 /nfs/dbraw/zinc/00/40/96/1385004096.db2.gz FKGOFWGJNXCOMX-BIXGBWIQSA-N 2 1 344.499 3.073 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001317269358 1385039298 /nfs/dbraw/zinc/03/92/98/1385039298.db2.gz CLJXMSHPXTZAKT-LSDHHAIUSA-N 2 1 346.450 3.001 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174905903 1385168368 /nfs/dbraw/zinc/16/83/68/1385168368.db2.gz PLEBLFAKRTWDFE-BJLQDIEVSA-N 2 1 349.563 3.482 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001317482740 1385179616 /nfs/dbraw/zinc/17/96/16/1385179616.db2.gz WTMXVSHFDDADJO-RBUKOAKNSA-N 2 1 349.494 3.199 20 0 EGADMP C[C@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175255886 1385231075 /nfs/dbraw/zinc/23/10/75/1385231075.db2.gz IMXLZFUULIENLQ-SJORKVTESA-N 2 1 349.494 3.075 20 0 EGADMP C[C@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175257336 1385231453 /nfs/dbraw/zinc/23/14/53/1385231453.db2.gz ZOKCEKJHQQRSJE-IAGOWNOFSA-N 2 1 349.494 3.075 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175262403 1385233612 /nfs/dbraw/zinc/23/36/12/1385233612.db2.gz GFRGISPVBUQRAV-MSOLQXFVSA-N 2 1 339.568 3.419 20 0 EGADMP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175264761 1385234400 /nfs/dbraw/zinc/23/44/00/1385234400.db2.gz VVZIACXBVXMYFY-HKUYNNGSSA-N 2 1 345.531 3.101 20 0 EGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175265510 1385235335 /nfs/dbraw/zinc/23/53/35/1385235335.db2.gz YZHCTVNKPCSCMH-APWZRJJASA-N 2 1 343.531 3.264 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175273798 1385237566 /nfs/dbraw/zinc/23/75/66/1385237566.db2.gz WOPRCKZYXVTMEJ-IAGOWNOFSA-N 2 1 325.541 3.029 20 0 EGADMP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175274008 1385238135 /nfs/dbraw/zinc/23/81/35/1385238135.db2.gz ZXIABFXLEDIPOQ-GOSISDBHSA-N 2 1 349.563 3.483 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175297319 1385242764 /nfs/dbraw/zinc/24/27/64/1385242764.db2.gz UMBUUDHVOPQCDB-MRXNPFEDSA-N 2 1 325.541 3.029 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175298115 1385243255 /nfs/dbraw/zinc/24/32/55/1385243255.db2.gz ZXEKUDRYHSRSOV-KRWDZBQOSA-N 2 1 325.541 3.195 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001317536398 1385266890 /nfs/dbraw/zinc/26/68/90/1385266890.db2.gz NVFOGDUVJJHCMM-RBUKOAKNSA-N 2 1 343.515 3.062 20 0 EGADMP Cc1cc[nH+]c(C)c1Nc1ccc(C(=O)NCCC[NH+](C)C)cc1 ZINC001175820842 1385413723 /nfs/dbraw/zinc/41/37/23/1385413723.db2.gz ZAKNMRAKCOLJCH-UHFFFAOYSA-N 2 1 326.444 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]C/C=C/c1ccccc1 ZINC001176024501 1385464016 /nfs/dbraw/zinc/46/40/16/1385464016.db2.gz PBTAUCBBSGZBKU-NRJHKNTJSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)cc1C ZINC001176024647 1385464031 /nfs/dbraw/zinc/46/40/31/1385464031.db2.gz QFUGCABQKTWYEX-LJQANCHMSA-N 2 1 347.547 3.410 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176164341 1385500099 /nfs/dbraw/zinc/50/00/99/1385500099.db2.gz ARXNNZDLXXGMOO-SJORKVTESA-N 2 1 337.552 3.029 20 0 EGADMP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176165214 1385500730 /nfs/dbraw/zinc/50/07/30/1385500730.db2.gz JKQNHZFPDNHIFD-QZTJIDSGSA-N 2 1 325.541 3.173 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317973424 1385593568 /nfs/dbraw/zinc/59/35/68/1385593568.db2.gz XWIKHJOZLJUYNQ-UFYCRDLUSA-N 2 1 345.531 3.305 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH2+]CCCC1CCCC1 ZINC001176591566 1385635153 /nfs/dbraw/zinc/63/51/53/1385635153.db2.gz MKIPVOWQRGFSHJ-QGZVFWFLSA-N 2 1 348.535 3.427 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCCCCC1 ZINC001176591640 1385635215 /nfs/dbraw/zinc/63/52/15/1385635215.db2.gz NJZKCDGFWPLKPL-KRWDZBQOSA-N 2 1 348.535 3.427 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176753206 1385684025 /nfs/dbraw/zinc/68/40/25/1385684025.db2.gz CWDUKZNRVXLVBB-ZWKOTPCHSA-N 2 1 327.557 3.273 20 0 EGADMP CCCc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C2)cc1 ZINC001318428709 1385684712 /nfs/dbraw/zinc/68/47/12/1385684712.db2.gz MKRQJMNCZZLXRP-UXHICEINSA-N 2 1 345.531 3.012 20 0 EGADMP Cc1ccc(CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001176754616 1385685206 /nfs/dbraw/zinc/68/52/06/1385685206.db2.gz WUWRYMRLTCBXPH-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176760303 1385686909 /nfs/dbraw/zinc/68/69/09/1385686909.db2.gz UKUWKMVVUIPZIZ-FNYRVFDFSA-N 2 1 337.552 3.482 20 0 EGADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001176759904 1385686957 /nfs/dbraw/zinc/68/69/57/1385686957.db2.gz OATFQSOTZOQACD-MJGOQNOKSA-N 2 1 333.520 3.210 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001176759583 1385687195 /nfs/dbraw/zinc/68/71/95/1385687195.db2.gz KSQGICANJSBANN-PKOBYXMFSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176820511 1385713191 /nfs/dbraw/zinc/71/31/91/1385713191.db2.gz OONYUZNTHSOYRY-SFHVURJKSA-N 2 1 345.531 3.183 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176820511 1385713194 /nfs/dbraw/zinc/71/31/94/1385713194.db2.gz OONYUZNTHSOYRY-SFHVURJKSA-N 2 1 345.531 3.183 20 0 EGADMP CC[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001318554472 1385752937 /nfs/dbraw/zinc/75/29/37/1385752937.db2.gz IFGBLEVVNPWDAG-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001176992478 1385767107 /nfs/dbraw/zinc/76/71/07/1385767107.db2.gz RACVFKYDEKMHJI-FRECNVADSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001177267633 1385890590 /nfs/dbraw/zinc/89/05/90/1385890590.db2.gz UQIVSIQOWASGCN-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N(CCC[NH2+]CCC1CC1)CC1CCCC1 ZINC001177348235 1385923159 /nfs/dbraw/zinc/92/31/59/1385923159.db2.gz FBAUOKUXEMONFW-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N(CCC[NH2+]CCC1CC1)CC1CCCC1 ZINC001177348234 1385923563 /nfs/dbraw/zinc/92/35/63/1385923563.db2.gz FBAUOKUXEMONFW-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1c[nH+]cc1C ZINC001177368612 1385931534 /nfs/dbraw/zinc/93/15/34/1385931534.db2.gz OGGSWUYDHRFZDJ-UHFFFAOYSA-N 2 1 346.519 3.156 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(CCC[NH2+]CC1CCC1)CC1CCCC1 ZINC001177415658 1385948718 /nfs/dbraw/zinc/94/87/18/1385948718.db2.gz HMZWWBUGYOWIPN-GOSISDBHSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001177416227 1385949779 /nfs/dbraw/zinc/94/97/79/1385949779.db2.gz WPUUUPCFBNHHQM-QUCCMNQESA-N 2 1 349.563 3.149 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC001319090618 1385957435 /nfs/dbraw/zinc/95/74/35/1385957435.db2.gz RYBYFOVBSYJIIG-YZGWKJHDSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001319090618 1385957439 /nfs/dbraw/zinc/95/74/39/1385957439.db2.gz RYBYFOVBSYJIIG-YZGWKJHDSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001319090618 1385957444 /nfs/dbraw/zinc/95/74/44/1385957444.db2.gz RYBYFOVBSYJIIG-YZGWKJHDSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC001319090615 1385957680 /nfs/dbraw/zinc/95/76/80/1385957680.db2.gz RYBYFOVBSYJIIG-DFQSSKMNSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001319090615 1385957684 /nfs/dbraw/zinc/95/76/84/1385957684.db2.gz RYBYFOVBSYJIIG-DFQSSKMNSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001319090615 1385957687 /nfs/dbraw/zinc/95/76/87/1385957687.db2.gz RYBYFOVBSYJIIG-DFQSSKMNSA-N 2 1 343.515 3.030 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(CCC[NH2+]C(C)C)CC1CCCC1 ZINC001177488707 1385975874 /nfs/dbraw/zinc/97/58/74/1385975874.db2.gz IJDOVKVTWJAHNZ-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP c1[nH]nc2c1cccc2C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001177668867 1386018991 /nfs/dbraw/zinc/01/89/91/1386018991.db2.gz HOPDSZGCVIOAFW-SFHVURJKSA-N 2 1 334.467 3.217 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCCCCCNC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001178045918 1386115974 /nfs/dbraw/zinc/11/59/74/1386115974.db2.gz ZJAJCFRAHKJJBB-AZUAARDMSA-N 2 1 345.531 3.416 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCC2CCC2)[C@@H]1C ZINC001178688420 1386277709 /nfs/dbraw/zinc/27/77/09/1386277709.db2.gz CHTAEJTWGGUUNY-YTQUADARSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]CC2CCC2)C1 ZINC001178688859 1386279068 /nfs/dbraw/zinc/27/90/68/1386279068.db2.gz QTWCDJCECWEESZ-IBGZPJMESA-N 2 1 337.552 3.031 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001178693625 1386280647 /nfs/dbraw/zinc/28/06/47/1386280647.db2.gz YCUVRFDADMKQIE-IBGZPJMESA-N 2 1 337.552 3.482 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCCCCC[NH2+][C@@H](C)c1ccccc1 ZINC001179026282 1386380749 /nfs/dbraw/zinc/38/07/49/1386380749.db2.gz UYQJJVPKVSDUDB-SFHVURJKSA-N 2 1 342.487 3.219 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001179233886 1386427835 /nfs/dbraw/zinc/42/78/35/1386427835.db2.gz DZHZAYNJQWJEDW-LPHOPBHVSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001179549705 1386512039 /nfs/dbraw/zinc/51/20/39/1386512039.db2.gz GTYKNCMJZMTEIM-HKUYNNGSSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179580899 1386522720 /nfs/dbraw/zinc/52/27/20/1386522720.db2.gz VBQCFLFCIJSBGE-SFHVURJKSA-N 2 1 337.552 3.317 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCCCCCC[NH2+]CC2CC(C)(C)C2)C1 ZINC001179585299 1386523548 /nfs/dbraw/zinc/52/35/48/1386523548.db2.gz GTSTUOCNVNDHMW-QGZVFWFLSA-N 2 1 337.552 3.031 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001179591514 1386526671 /nfs/dbraw/zinc/52/66/71/1386526671.db2.gz VYRKFLIRVAACII-HKUYNNGSSA-N 2 1 349.563 3.031 20 0 EGADMP Cc1c(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)ccc2c[nH+]cn21 ZINC001320146090 1386535064 /nfs/dbraw/zinc/53/50/64/1386535064.db2.gz VGIBWWODQADFEK-SFHVURJKSA-N 2 1 346.434 3.268 20 0 EGADMP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179652088 1386540894 /nfs/dbraw/zinc/54/08/94/1386540894.db2.gz OOFVWVHDVRWCBT-IKGGRYGDSA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]1C ZINC001179652032 1386540962 /nfs/dbraw/zinc/54/09/62/1386540962.db2.gz LEVLWDDINZODST-IRXDYDNUSA-N 2 1 348.535 3.412 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001179776871 1386581976 /nfs/dbraw/zinc/58/19/76/1386581976.db2.gz LJFDIAJOROWSOJ-KRWDZBQOSA-N 2 1 342.487 3.055 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CCc1ccccc1 ZINC001180118121 1386702471 /nfs/dbraw/zinc/70/24/71/1386702471.db2.gz WEEYAKFIPYLUMX-UHFFFAOYSA-N 2 1 347.547 3.227 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)[C@@H]1C ZINC001180226684 1386738783 /nfs/dbraw/zinc/73/87/83/1386738783.db2.gz GOUORMJOJMVQOO-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001320864467 1386742256 /nfs/dbraw/zinc/74/22/56/1386742256.db2.gz WMHKWBLXOJTZOD-ICSRJNTNSA-N 2 1 345.531 3.449 20 0 EGADMP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1cccc(F)c1 ZINC001180264423 1386750264 /nfs/dbraw/zinc/75/02/64/1386750264.db2.gz DUEDWMABIXBFJR-SJLPKXTDSA-N 2 1 349.494 3.105 20 0 EGADMP C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)C1)c1cccc(F)c1 ZINC001180264424 1386750381 /nfs/dbraw/zinc/75/03/81/1386750381.db2.gz DUEDWMABIXBFJR-WMZOPIPTSA-N 2 1 349.494 3.105 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3cnn(C)c3)cc2)C1 ZINC001321196421 1386837662 /nfs/dbraw/zinc/83/76/62/1386837662.db2.gz NYRMLVHNHRKTRK-GOSISDBHSA-N 2 1 326.488 3.251 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)cc2)C1 ZINC001321196421 1386837663 /nfs/dbraw/zinc/83/76/63/1386837663.db2.gz NYRMLVHNHRKTRK-GOSISDBHSA-N 2 1 326.488 3.251 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)cc2)C1 ZINC001321196421 1386837666 /nfs/dbraw/zinc/83/76/66/1386837666.db2.gz NYRMLVHNHRKTRK-GOSISDBHSA-N 2 1 326.488 3.251 20 0 EGADMP COc1cc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)ccn1 ZINC001181276598 1386970751 /nfs/dbraw/zinc/97/07/51/1386970751.db2.gz OTKAKVJNDHGFEU-APWZRJJASA-N 2 1 331.504 3.408 20 0 EGADMP CC(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001181728247 1387046509 /nfs/dbraw/zinc/04/65/09/1387046509.db2.gz ITFCYYJWAQNQFU-SLYNCCJLSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001182814508 1387228873 /nfs/dbraw/zinc/22/88/73/1387228873.db2.gz ZQTMUYZWVBNJFR-YFVAEKQCSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)C[C@@H]2C1 ZINC001336888618 1389197001 /nfs/dbraw/zinc/19/70/01/1389197001.db2.gz KNFDDVOJLUAUOX-IJEWVQPXSA-N 2 1 330.501 3.300 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC001330090791 1389306973 /nfs/dbraw/zinc/30/69/73/1389306973.db2.gz DMLSKACJFCLJPV-GOSISDBHSA-N 2 1 342.487 3.009 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC001330090791 1389306978 /nfs/dbraw/zinc/30/69/78/1389306978.db2.gz DMLSKACJFCLJPV-GOSISDBHSA-N 2 1 342.487 3.009 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001698726398 1406376758 /nfs/dbraw/zinc/37/67/58/1406376758.db2.gz PRSMVZLTFWKOKE-SFHVURJKSA-N 2 1 345.531 3.308 20 0 EGADMP Nc1ccc(-c2cccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)n2)cc1 ZINC001330794536 1389529464 /nfs/dbraw/zinc/52/94/64/1389529464.db2.gz PNOCFWKOBYHPMR-UHFFFAOYSA-N 2 1 336.483 3.296 20 0 EGADMP C[NH2+][C@H](C)CC[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC001331420315 1389741351 /nfs/dbraw/zinc/74/13/51/1389741351.db2.gz VPUSECZRRXUJST-CQSZACIVSA-N 2 1 333.863 3.402 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)cc(C)c1 ZINC001698749548 1406400518 /nfs/dbraw/zinc/40/05/18/1406400518.db2.gz WCSLRTPJUQXWSN-ICSRJNTNSA-N 2 1 345.531 3.020 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccccc2C)[C@H]1C ZINC001332220459 1390052739 /nfs/dbraw/zinc/05/27/39/1390052739.db2.gz UDEKPFDDGPUVJD-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C)[C@H]1C ZINC001332220459 1390052741 /nfs/dbraw/zinc/05/27/41/1390052741.db2.gz UDEKPFDDGPUVJD-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C)[C@H]1C ZINC001332220459 1390052743 /nfs/dbraw/zinc/05/27/43/1390052743.db2.gz UDEKPFDDGPUVJD-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP COc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1OC ZINC001332358806 1390095934 /nfs/dbraw/zinc/09/59/34/1390095934.db2.gz LQJREWMYCCPFJG-UHFFFAOYSA-N 2 1 338.879 3.323 20 0 EGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@H]([NH3+])C(C)(C)C)cc2)C1 ZINC001340107493 1390228082 /nfs/dbraw/zinc/22/80/82/1390228082.db2.gz YOOWTTJMJMGWEO-QAPCUYQASA-N 2 1 347.503 3.109 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CCCC[C@H]1C(=O)OC ZINC001334200452 1390497385 /nfs/dbraw/zinc/49/73/85/1390497385.db2.gz FXIVJVMRULOYKB-DLBZAZTESA-N 2 1 335.492 3.137 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CCCC[C@H]1C(=O)OC ZINC001334200452 1390497386 /nfs/dbraw/zinc/49/73/86/1390497386.db2.gz FXIVJVMRULOYKB-DLBZAZTESA-N 2 1 335.492 3.137 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cn3nc(Cl)c4ccccc43)C[C@H]2C1 ZINC001334747260 1390578872 /nfs/dbraw/zinc/57/88/72/1390578872.db2.gz HFUQHQDSADKXNQ-RBSFLKMASA-N 2 1 332.879 3.309 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]C2CCC2)CC1)c1cccc(Cl)c1 ZINC001342660098 1390637845 /nfs/dbraw/zinc/63/78/45/1390637845.db2.gz KWVVLQXHRACBSQ-GOSISDBHSA-N 2 1 349.906 3.076 20 0 EGADMP c1cc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc2c1CCC2 ZINC001335255953 1390660627 /nfs/dbraw/zinc/66/06/27/1390660627.db2.gz PMTZOKWLYLHCPI-CTXDPNEZSA-N 2 1 326.484 3.302 20 0 EGADMP C[C@@H](CC[NH2+]Cc1cnn(C)c1C1CC1)[N@H+](C)Cc1ccccc1 ZINC001342978585 1390679980 /nfs/dbraw/zinc/67/99/80/1390679980.db2.gz HZYWRNOHHJOZHA-INIZCTEOSA-N 2 1 326.488 3.298 20 0 EGADMP C[C@@H](CC[NH2+]Cc1cnn(C)c1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001342978585 1390679983 /nfs/dbraw/zinc/67/99/83/1390679983.db2.gz HZYWRNOHHJOZHA-INIZCTEOSA-N 2 1 326.488 3.298 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c2c(n1)CCCC2 ZINC001335583156 1390705986 /nfs/dbraw/zinc/70/59/86/1390705986.db2.gz PTRWGLAEBJGDFV-LNLFQRSKSA-N 2 1 327.516 3.431 20 0 EGADMP CC(C)c1cn(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(=S)n1C ZINC001345107532 1390837851 /nfs/dbraw/zinc/83/78/51/1390837851.db2.gz BBZGPXPBOOUXBE-JYJNAYRXSA-N 2 1 336.549 3.299 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001346018616 1390901094 /nfs/dbraw/zinc/90/10/94/1390901094.db2.gz WKJQQIUBORINKT-AWEZNQCLSA-N 2 1 335.879 3.133 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001346018616 1390901096 /nfs/dbraw/zinc/90/10/96/1390901096.db2.gz WKJQQIUBORINKT-AWEZNQCLSA-N 2 1 335.879 3.133 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001347927756 1391147689 /nfs/dbraw/zinc/14/76/89/1391147689.db2.gz YNCBAMOBYWFHBW-ULQDDVLXSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)C[NH2+]CC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001349473661 1391333818 /nfs/dbraw/zinc/33/38/18/1391333818.db2.gz OENGDKHMDDWUOQ-UHFFFAOYSA-N 2 1 345.531 3.313 20 0 EGADMP CCCc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)s1 ZINC001351221264 1391612507 /nfs/dbraw/zinc/61/25/07/1391612507.db2.gz RMVJNNLFDFRSFN-UHFFFAOYSA-N 2 1 344.484 3.100 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001698862971 1406574206 /nfs/dbraw/zinc/57/42/06/1406574206.db2.gz XTSUACVWKMYKSX-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CCC(CC)C[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001480299383 1392665431 /nfs/dbraw/zinc/66/54/31/1392665431.db2.gz ZYTQSCVMHLVVQQ-GOSISDBHSA-N 2 1 348.535 3.271 20 0 EGADMP C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001480510129 1392774509 /nfs/dbraw/zinc/77/45/09/1392774509.db2.gz SSXQHSDEUOZKPP-MRXNPFEDSA-N 2 1 349.494 3.075 20 0 EGADMP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CC1CCCCC1 ZINC001480905013 1393009618 /nfs/dbraw/zinc/00/96/18/1393009618.db2.gz PGJHJGDSRFWXGQ-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)CC1CCCCC1 ZINC001480905013 1393009623 /nfs/dbraw/zinc/00/96/23/1393009623.db2.gz PGJHJGDSRFWXGQ-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)CC1CCCCC1 ZINC001480905013 1393009627 /nfs/dbraw/zinc/00/96/27/1393009627.db2.gz PGJHJGDSRFWXGQ-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)Cc1cc(C)cc(C)c1 ZINC001481019399 1393096110 /nfs/dbraw/zinc/09/61/10/1393096110.db2.gz RAMSPTHHFZUHNV-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)Cc1cc(C)cc(C)c1 ZINC001481019399 1393096115 /nfs/dbraw/zinc/09/61/15/1393096115.db2.gz RAMSPTHHFZUHNV-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)Cc1cc(C)cc(C)c1 ZINC001481019399 1393096119 /nfs/dbraw/zinc/09/61/19/1393096119.db2.gz RAMSPTHHFZUHNV-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC([C@H](C)[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001481344591 1393169356 /nfs/dbraw/zinc/16/93/56/1393169356.db2.gz ZIWMEDYSUAKQOJ-IRXDYDNUSA-N 2 1 348.535 3.090 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N(C)C1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC001490421447 1394222911 /nfs/dbraw/zinc/22/29/11/1394222911.db2.gz IPFVDSHDADATKI-HXUWFJFHSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)c1ccc(Cl)cc1 ZINC001490897506 1394369533 /nfs/dbraw/zinc/36/95/33/1394369533.db2.gz LALIOSORDOWJIF-JQFCIGGWSA-N 2 1 349.906 3.122 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC001481537747 1394398171 /nfs/dbraw/zinc/39/81/71/1394398171.db2.gz VNLFEFLRZGTCBF-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CC(NC(=O)CCC[NH+]3CCCCC3)C2)c1 ZINC001481603940 1394418192 /nfs/dbraw/zinc/41/81/92/1394418192.db2.gz ZDXAQBUFJYZQHL-SFHVURJKSA-N 2 1 343.515 3.123 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001481779646 1394524606 /nfs/dbraw/zinc/52/46/06/1394524606.db2.gz VGTWNOCPFARNHL-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001481779644 1394524647 /nfs/dbraw/zinc/52/46/47/1394524647.db2.gz VGTWNOCPFARNHL-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)c1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001482291290 1394869799 /nfs/dbraw/zinc/86/97/99/1394869799.db2.gz DOCDIBYBNKJWTK-QGZVFWFLSA-N 2 1 345.531 3.231 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCCCCC1 ZINC001482457598 1395015941 /nfs/dbraw/zinc/01/59/41/1395015941.db2.gz UVBBQLFFFMWBMF-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](CCCC3CCC3)C2)C1 ZINC001483847693 1395114173 /nfs/dbraw/zinc/11/41/73/1395114173.db2.gz NXPNIMWYEFURNG-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@H+](CCCC3CCC3)C2)C1 ZINC001483847693 1395114175 /nfs/dbraw/zinc/11/41/75/1395114175.db2.gz NXPNIMWYEFURNG-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001483847693 1395114182 /nfs/dbraw/zinc/11/41/82/1395114182.db2.gz NXPNIMWYEFURNG-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@@]2(CC[NH+](C(C)C)C2)C1)c1ccccc1 ZINC001483848471 1395115743 /nfs/dbraw/zinc/11/57/43/1395115743.db2.gz UUXKLBZFKXIJMV-TZIWHRDSSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](C(C)C)C2)C1)c1ccccc1 ZINC001483848471 1395115744 /nfs/dbraw/zinc/11/57/44/1395115744.db2.gz UUXKLBZFKXIJMV-TZIWHRDSSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](C(C)C)C2)C1)c1ccccc1 ZINC001483848471 1395115745 /nfs/dbraw/zinc/11/57/45/1395115745.db2.gz UUXKLBZFKXIJMV-TZIWHRDSSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@H+]1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001484164757 1395301319 /nfs/dbraw/zinc/30/13/19/1395301319.db2.gz DUSYHBMRBOVZQG-IBGZPJMESA-N 2 1 337.552 3.127 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@]1(C)CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001484176865 1395322305 /nfs/dbraw/zinc/32/23/05/1395322305.db2.gz ZJOAWYNPRUDGCJ-NRFANRHFSA-N 2 1 345.531 3.055 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC001484176865 1395322309 /nfs/dbraw/zinc/32/23/09/1395322309.db2.gz ZJOAWYNPRUDGCJ-NRFANRHFSA-N 2 1 345.531 3.055 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001484176865 1395322313 /nfs/dbraw/zinc/32/23/13/1395322313.db2.gz ZJOAWYNPRUDGCJ-NRFANRHFSA-N 2 1 345.531 3.055 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)(C)C ZINC001484387176 1395352301 /nfs/dbraw/zinc/35/23/01/1395352301.db2.gz WANIBYOHPJSGFK-FCGDIQPGSA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C ZINC001484387176 1395352307 /nfs/dbraw/zinc/35/23/07/1395352307.db2.gz WANIBYOHPJSGFK-FCGDIQPGSA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)(C)C ZINC001484387176 1395352312 /nfs/dbraw/zinc/35/23/12/1395352312.db2.gz WANIBYOHPJSGFK-FCGDIQPGSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+](CC3CCC3)C2)C1 ZINC001484770586 1395529719 /nfs/dbraw/zinc/52/97/19/1395529719.db2.gz GZZAUYGEOMZYKP-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](CC3CCC3)C2)C1 ZINC001484770586 1395529722 /nfs/dbraw/zinc/52/97/22/1395529722.db2.gz GZZAUYGEOMZYKP-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC001484770586 1395529725 /nfs/dbraw/zinc/52/97/25/1395529725.db2.gz GZZAUYGEOMZYKP-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CCc1ccccc1C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001484981456 1395621772 /nfs/dbraw/zinc/62/17/72/1395621772.db2.gz OBFACZAWNHSYIX-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001484981456 1395621787 /nfs/dbraw/zinc/62/17/87/1395621787.db2.gz OBFACZAWNHSYIX-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001484981456 1395621800 /nfs/dbraw/zinc/62/18/00/1395621800.db2.gz OBFACZAWNHSYIX-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC(CC)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001485483515 1395969831 /nfs/dbraw/zinc/96/98/31/1395969831.db2.gz ZRNNCQVVPKKBFH-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001486207715 1396182307 /nfs/dbraw/zinc/18/23/07/1396182307.db2.gz MJIZFXRDTDURNI-ROUUACIJSA-N 2 1 337.552 3.172 20 0 EGADMP CC[N@@H+](CCNC(=O)C1CC[NH+](C(C)C)CC1)CC1CCCCC1 ZINC001493034705 1396333417 /nfs/dbraw/zinc/33/34/17/1396333417.db2.gz DCRQRCFTEVZIOH-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H](CC)c1ccccc1 ZINC001493280697 1396339052 /nfs/dbraw/zinc/33/90/52/1396339052.db2.gz OEDQLNRPTFDQDM-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](CC)c1ccccc1 ZINC001493280697 1396339053 /nfs/dbraw/zinc/33/90/53/1396339053.db2.gz OEDQLNRPTFDQDM-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@@H](CC)c1ccccc1 ZINC001493280697 1396339054 /nfs/dbraw/zinc/33/90/54/1396339054.db2.gz OEDQLNRPTFDQDM-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001493696630 1396342240 /nfs/dbraw/zinc/34/22/40/1396342240.db2.gz YEGYTSCKMKGKQI-KRWDZBQOSA-N 2 1 333.520 3.082 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)CCc2cnc[nH]2)CC1 ZINC001690023231 1404261351 /nfs/dbraw/zinc/26/13/51/1404261351.db2.gz JJQNUWHFRCFADN-MRXNPFEDSA-N 2 1 340.471 3.026 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccc(C)cc1 ZINC001690458015 1404587869 /nfs/dbraw/zinc/58/78/69/1404587869.db2.gz XIEPQYPGWQUTIT-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)cc1 ZINC001690458015 1404587871 /nfs/dbraw/zinc/58/78/71/1404587871.db2.gz XIEPQYPGWQUTIT-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C)cc1 ZINC001690458015 1404587874 /nfs/dbraw/zinc/58/78/74/1404587874.db2.gz XIEPQYPGWQUTIT-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001725186963 1425720427 /nfs/dbraw/zinc/72/04/27/1425720427.db2.gz FYLATRKTONILQY-SJORKVTESA-N 2 1 345.531 3.015 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001725186963 1425720428 /nfs/dbraw/zinc/72/04/28/1425720428.db2.gz FYLATRKTONILQY-SJORKVTESA-N 2 1 345.531 3.015 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001725186963 1425720432 /nfs/dbraw/zinc/72/04/32/1425720432.db2.gz FYLATRKTONILQY-SJORKVTESA-N 2 1 345.531 3.015 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001725186956 1425721137 /nfs/dbraw/zinc/72/11/37/1425721137.db2.gz FYLATRKTONILQY-DLBZAZTESA-N 2 1 345.531 3.015 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001725186956 1425721140 /nfs/dbraw/zinc/72/11/40/1425721140.db2.gz FYLATRKTONILQY-DLBZAZTESA-N 2 1 345.531 3.015 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001725186956 1425721146 /nfs/dbraw/zinc/72/11/46/1425721146.db2.gz FYLATRKTONILQY-DLBZAZTESA-N 2 1 345.531 3.015 20 0 EGADMP CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[NH+]1CCCCC1 ZINC001691079360 1405014596 /nfs/dbraw/zinc/01/45/96/1405014596.db2.gz KFZCGFGAKCZBOC-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001691083308 1405017446 /nfs/dbraw/zinc/01/74/46/1405017446.db2.gz TUAQIUHTOKQAHB-MSOLQXFVSA-N 2 1 343.515 3.121 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](CCC1CCCC1)C1CC1 ZINC001691228159 1405167877 /nfs/dbraw/zinc/16/78/77/1405167877.db2.gz PNYPUXVNDIGKNJ-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](CCC1CCCC1)C1CC1 ZINC001691228159 1405167878 /nfs/dbraw/zinc/16/78/78/1405167878.db2.gz PNYPUXVNDIGKNJ-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](CCC1CCCC1)C1CC1 ZINC001691228159 1405167883 /nfs/dbraw/zinc/16/78/83/1405167883.db2.gz PNYPUXVNDIGKNJ-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1cccc(C[N@@H+]2CC[C@H]2CN(C)C(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001691403262 1405241408 /nfs/dbraw/zinc/24/14/08/1405241408.db2.gz ZAFAEZXAVPZSLA-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP Cc1cccc(C[NH+]2CC[C@H]2CN(C)C(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001691403262 1405241410 /nfs/dbraw/zinc/24/14/10/1405241410.db2.gz ZAFAEZXAVPZSLA-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP Cc1cccc(C[NH+]2CC[C@H]2CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001691403262 1405241415 /nfs/dbraw/zinc/24/14/15/1405241415.db2.gz ZAFAEZXAVPZSLA-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1F ZINC001691500508 1405305562 /nfs/dbraw/zinc/30/55/62/1405305562.db2.gz PQTVFPOSRHMMRY-LPHOPBHVSA-N 2 1 349.494 3.198 20 0 EGADMP CCCN(C(=O)CC[NH+](C)C1CCCCC1)[C@H]1CC[N@H+](C(C)C)C1 ZINC001691855828 1405572330 /nfs/dbraw/zinc/57/23/30/1405572330.db2.gz BBEHBXROOMOKSV-IBGZPJMESA-N 2 1 337.552 3.362 20 0 EGADMP CCCN(C(=O)CC[N@H+](C)C1CCCCC1)[C@H]1CC[NH+](C(C)C)C1 ZINC001691855828 1405572332 /nfs/dbraw/zinc/57/23/32/1405572332.db2.gz BBEHBXROOMOKSV-IBGZPJMESA-N 2 1 337.552 3.362 20 0 EGADMP CCCN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@H]1CC[NH+](C(C)C)C1 ZINC001691855828 1405572335 /nfs/dbraw/zinc/57/23/35/1405572335.db2.gz BBEHBXROOMOKSV-IBGZPJMESA-N 2 1 337.552 3.362 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)CC2CCCCCC2)C1 ZINC001691989560 1405702489 /nfs/dbraw/zinc/70/24/89/1405702489.db2.gz JMZBMENMUWSBEU-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)CC2CCCCCC2)C1 ZINC001691989560 1405702492 /nfs/dbraw/zinc/70/24/92/1405702492.db2.gz JMZBMENMUWSBEU-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCCC2)C1 ZINC001691989560 1405702493 /nfs/dbraw/zinc/70/24/93/1405702493.db2.gz JMZBMENMUWSBEU-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001692086644 1405766741 /nfs/dbraw/zinc/76/67/41/1405766741.db2.gz HZDNOCJONDVRSF-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001698547367 1406144346 /nfs/dbraw/zinc/14/43/46/1406144346.db2.gz AFTOMTIDTHKATD-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001698568306 1406172210 /nfs/dbraw/zinc/17/22/10/1406172210.db2.gz ZLFKJZQOMQMCFG-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CC(=O)NCC[C@H]1CC[NH+](CC2CCCCCC2)C1)C1CCC1 ZINC001732049658 1428287815 /nfs/dbraw/zinc/28/78/15/1428287815.db2.gz SQORLFHNCVHWCU-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NCC[C@H]1CC[N@H+](CC2CCCCCC2)C1)C1CCC1 ZINC001732049658 1428287818 /nfs/dbraw/zinc/28/78/18/1428287818.db2.gz SQORLFHNCVHWCU-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NCC[C@H]1CC[N@@H+](CC2CCCCCC2)C1)C1CCC1 ZINC001732049658 1428287821 /nfs/dbraw/zinc/28/78/21/1428287821.db2.gz SQORLFHNCVHWCU-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1)[NH+](CC)CC ZINC001732154615 1428398572 /nfs/dbraw/zinc/39/85/72/1428398572.db2.gz YRCHSTCLFPBBER-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)cc1C ZINC001732360013 1428547892 /nfs/dbraw/zinc/54/78/92/1428547892.db2.gz HKTDOEQEEQWHER-INIZCTEOSA-N 2 1 347.547 3.123 20 0 EGADMP Cc1cc(C)cc(C[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001732360749 1428548009 /nfs/dbraw/zinc/54/80/09/1428548009.db2.gz MIQSZIUHLORMCA-GOSISDBHSA-N 2 1 347.547 3.123 20 0 EGADMP Cc1ccccc1C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001732365223 1428549629 /nfs/dbraw/zinc/54/96/29/1428549629.db2.gz KBIXHEBRILFPHU-YLJYHZDGSA-N 2 1 345.531 3.100 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001699190833 1412563151 /nfs/dbraw/zinc/56/31/51/1412563151.db2.gz WPBPHMLRTKBMLI-QUCCMNQESA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H]([NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001699220461 1412584983 /nfs/dbraw/zinc/58/49/83/1412584983.db2.gz UJNRJLSVPPLCKO-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP C[C@H](C[N@@H+](C)[C@H](C)c1cccc(F)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001699474547 1412865795 /nfs/dbraw/zinc/86/57/95/1412865795.db2.gz QGBFXXOAKGAQBI-IAGOWNOFSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC2(C1)CC[NH+](CC)CC2)c1ccccc1 ZINC001699700109 1413112462 /nfs/dbraw/zinc/11/24/62/1413112462.db2.gz MEYNIHZHOSDEEE-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@]2(CC[NH+](CC(CC)CC)C2)C1 ZINC001699705465 1413121164 /nfs/dbraw/zinc/12/11/64/1413121164.db2.gz JAKYBHYVUFYDCZ-FQEVSTJZSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@]2(CC[N@H+](CC(CC)CC)C2)C1 ZINC001699705465 1413121166 /nfs/dbraw/zinc/12/11/66/1413121166.db2.gz JAKYBHYVUFYDCZ-FQEVSTJZSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@]2(CC[N@@H+](CC(CC)CC)C2)C1 ZINC001699705465 1413121169 /nfs/dbraw/zinc/12/11/69/1413121169.db2.gz JAKYBHYVUFYDCZ-FQEVSTJZSA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@]1(C)CC[N@H+](CCC2CCCC2)C1 ZINC001699822379 1413245298 /nfs/dbraw/zinc/24/52/98/1413245298.db2.gz XUVQHYPGYKKUHE-FQEVSTJZSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@]1(C)CC[N@@H+](CCC2CCCC2)C1 ZINC001699822379 1413245300 /nfs/dbraw/zinc/24/53/00/1413245300.db2.gz XUVQHYPGYKKUHE-FQEVSTJZSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)[N@@H+](C)CCC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001732550677 1428732061 /nfs/dbraw/zinc/73/20/61/1428732061.db2.gz BRIKKJDPILFBEW-UHFFFAOYSA-N 2 1 345.531 3.331 20 0 EGADMP CCCCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001700329376 1413804849 /nfs/dbraw/zinc/80/48/49/1413804849.db2.gz NKSKALKXPVBCBX-UXHICEINSA-N 2 1 345.531 3.232 20 0 EGADMP CC1CC(C[N@H+]2CCCCC[C@H]2CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001700525596 1414185942 /nfs/dbraw/zinc/18/59/42/1414185942.db2.gz FQWQQUZJOZIZES-MHJFOBGBSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001700556045 1414225788 /nfs/dbraw/zinc/22/57/88/1414225788.db2.gz VTXOJZNTYMYNOL-HOTGVXAUSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001700998370 1414648849 /nfs/dbraw/zinc/64/88/49/1414648849.db2.gz NWXFXONNUAPIEC-KRWDZBQOSA-N 2 1 325.541 3.029 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001732744870 1428942735 /nfs/dbraw/zinc/94/27/35/1428942735.db2.gz GRNGFNLAFGBVHX-BEFAXECRSA-N 2 1 349.494 3.029 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1ccccc1C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001732774462 1428962136 /nfs/dbraw/zinc/96/21/36/1428962136.db2.gz DSZBRRUDFPUBFQ-AZUAARDMSA-N 2 1 345.531 3.367 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)c1ccccc1 ZINC001713180638 1417754739 /nfs/dbraw/zinc/75/47/39/1417754739.db2.gz RNVLKUKCKJJTTO-VOBGVNJCSA-N 2 1 343.515 3.201 20 0 EGADMP CC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1ccccc1 ZINC001713180638 1417754742 /nfs/dbraw/zinc/75/47/42/1417754742.db2.gz RNVLKUKCKJJTTO-VOBGVNJCSA-N 2 1 343.515 3.201 20 0 EGADMP CC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1ccccc1 ZINC001713180638 1417754753 /nfs/dbraw/zinc/75/47/53/1417754753.db2.gz RNVLKUKCKJJTTO-VOBGVNJCSA-N 2 1 343.515 3.201 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CC1CC2(CCC2)C1)[NH+](C)C ZINC001713257000 1417857765 /nfs/dbraw/zinc/85/77/65/1417857765.db2.gz SQKALEFXBBPVQM-RTBURBONSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H](C[N@@H+](C)[C@H](C)c1cccc(F)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001733065088 1429217965 /nfs/dbraw/zinc/21/79/65/1429217965.db2.gz FRGXDZQAPNRPQO-IAGOWNOFSA-N 2 1 349.494 3.199 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001713452736 1418099602 /nfs/dbraw/zinc/09/96/02/1418099602.db2.gz ARBDTHCBSIROBN-SFHVURJKSA-N 2 1 345.531 3.369 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001713469547 1418135705 /nfs/dbraw/zinc/13/57/05/1418135705.db2.gz PRHYOULHEKJIPN-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001713682452 1418434556 /nfs/dbraw/zinc/43/45/56/1418434556.db2.gz BKNQXDIBMCLCIQ-MSOLQXFVSA-N 2 1 345.531 3.306 20 0 EGADMP CCCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001713719686 1418489977 /nfs/dbraw/zinc/48/99/77/1418489977.db2.gz FYEOODYIMKOBSI-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP C[N@@H+](CCC1=CCCCC1)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001713754159 1418557172 /nfs/dbraw/zinc/55/71/72/1418557172.db2.gz BMAAKWNYEKTBHV-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CCC1=CCCCC1)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001713754159 1418557176 /nfs/dbraw/zinc/55/71/76/1418557176.db2.gz BMAAKWNYEKTBHV-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CCC1=CCCCC1)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001713754159 1418557180 /nfs/dbraw/zinc/55/71/80/1418557180.db2.gz BMAAKWNYEKTBHV-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001713759290 1418565870 /nfs/dbraw/zinc/56/58/70/1418565870.db2.gz JUFDOVROXSXXON-RTBURBONSA-N 2 1 345.531 3.178 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001713759290 1418565873 /nfs/dbraw/zinc/56/58/73/1418565873.db2.gz JUFDOVROXSXXON-RTBURBONSA-N 2 1 345.531 3.178 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001713759290 1418565876 /nfs/dbraw/zinc/56/58/76/1418565876.db2.gz JUFDOVROXSXXON-RTBURBONSA-N 2 1 345.531 3.178 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001713784864 1418601110 /nfs/dbraw/zinc/60/11/10/1418601110.db2.gz PNSKNDQUHUABNZ-MDZRGWNJSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001713784864 1418601113 /nfs/dbraw/zinc/60/11/13/1418601113.db2.gz PNSKNDQUHUABNZ-MDZRGWNJSA-N 2 1 349.494 3.054 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001713835403 1418633720 /nfs/dbraw/zinc/63/37/20/1418633720.db2.gz VOCOJWVZHQOUNX-XLIONFOSSA-N 2 1 345.531 3.403 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001713835403 1418633721 /nfs/dbraw/zinc/63/37/21/1418633721.db2.gz VOCOJWVZHQOUNX-XLIONFOSSA-N 2 1 345.531 3.403 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001713835403 1418633724 /nfs/dbraw/zinc/63/37/24/1418633724.db2.gz VOCOJWVZHQOUNX-XLIONFOSSA-N 2 1 345.531 3.403 20 0 EGADMP C[NH+](CCC(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1)C1CCCCC1 ZINC001713893711 1418690231 /nfs/dbraw/zinc/69/02/31/1418690231.db2.gz AAPBTFOVPOXUQN-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001713893711 1418690233 /nfs/dbraw/zinc/69/02/33/1418690233.db2.gz AAPBTFOVPOXUQN-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001713893711 1418690235 /nfs/dbraw/zinc/69/02/35/1418690235.db2.gz AAPBTFOVPOXUQN-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001714139621 1418942155 /nfs/dbraw/zinc/94/21/55/1418942155.db2.gz GAGUFIXQRVAGLI-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001714859139 1419578987 /nfs/dbraw/zinc/57/89/87/1419578987.db2.gz GKLUURVUQOPFMF-FQEVSTJZSA-N 2 1 345.531 3.331 20 0 EGADMP CC[C@@H](C(=O)NC1C[NH+]([C@H](C)c2cccc3ccccc32)C1)[NH+](C)C ZINC001714946668 1419689760 /nfs/dbraw/zinc/68/97/60/1419689760.db2.gz LPMDINIMLLXYJR-QRWLVFNGSA-N 2 1 339.483 3.041 20 0 EGADMP CCC(CC)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001715394610 1420092022 /nfs/dbraw/zinc/09/20/22/1420092022.db2.gz ZMNGVNSGQJFNEK-QFBILLFUSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716478279 1420693586 /nfs/dbraw/zinc/69/35/86/1420693586.db2.gz PXFFLAOJFDQMOJ-ROUUACIJSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)[N@H+]1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001716725041 1420883259 /nfs/dbraw/zinc/88/32/59/1420883259.db2.gz RCLJLZOKQRYTSN-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2CC)C[C@@H]1C ZINC001716771067 1420914892 /nfs/dbraw/zinc/91/48/92/1420914892.db2.gz QXOLFJNFNZZPAS-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001716877646 1421002903 /nfs/dbraw/zinc/00/29/03/1421002903.db2.gz FEAUGNGAEXNTEM-OXJNMPFZSA-N 2 1 349.494 3.057 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1(C)CC[NH+](CCCC2CCC2)CC1 ZINC001716886939 1421010595 /nfs/dbraw/zinc/01/05/95/1421010595.db2.gz UJIKCRFNWRNQDL-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H](Cc1c[nH]cn1)C(=O)N(C)CCC[N@@H+](C)CC1CCCCCC1 ZINC001717212929 1421187857 /nfs/dbraw/zinc/18/78/57/1421187857.db2.gz SFRNCRVGMHVZLR-KRWDZBQOSA-N 2 1 348.535 3.339 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N(C)CCC[N@H+](C)CC1CCCCCC1 ZINC001717212929 1421187858 /nfs/dbraw/zinc/18/78/58/1421187858.db2.gz SFRNCRVGMHVZLR-KRWDZBQOSA-N 2 1 348.535 3.339 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N(C)CCC[N@@H+](C)CC1CCCCCC1 ZINC001717212929 1421187859 /nfs/dbraw/zinc/18/78/59/1421187859.db2.gz SFRNCRVGMHVZLR-KRWDZBQOSA-N 2 1 348.535 3.339 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)CC1(C)C ZINC001717311702 1421256001 /nfs/dbraw/zinc/25/60/01/1421256001.db2.gz GEPVCNJKRITYOK-QGZVFWFLSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCCC(C)(C)C)CC1(C)C ZINC001717311702 1421256003 /nfs/dbraw/zinc/25/60/03/1421256003.db2.gz GEPVCNJKRITYOK-QGZVFWFLSA-N 2 1 348.535 3.235 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1)CC(C)(C)C ZINC001733348597 1429530153 /nfs/dbraw/zinc/53/01/53/1429530153.db2.gz OAUDIAGFDGKJJN-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1(C)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001733363269 1429549036 /nfs/dbraw/zinc/54/90/36/1429549036.db2.gz OZCGPIJYYJRQDA-UHFFFAOYSA-N 2 1 349.494 3.028 20 0 EGADMP CC(C)CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001733379473 1429563702 /nfs/dbraw/zinc/56/37/02/1429563702.db2.gz GFFLFXUEQQXXFJ-MOPGFXCFSA-N 2 1 337.552 3.172 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001733768778 1429995218 /nfs/dbraw/zinc/99/52/18/1429995218.db2.gz JYZPSAOKKWFUJB-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001733768778 1429995221 /nfs/dbraw/zinc/99/52/21/1429995221.db2.gz JYZPSAOKKWFUJB-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001733768778 1429995223 /nfs/dbraw/zinc/99/52/23/1429995223.db2.gz JYZPSAOKKWFUJB-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001724329031 1424817362 /nfs/dbraw/zinc/81/73/62/1424817362.db2.gz CJZLYKCBKNUJSU-GHTZIAJQSA-N 2 1 345.531 3.308 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001724329034 1424818333 /nfs/dbraw/zinc/81/83/33/1424818333.db2.gz CJZLYKCBKNUJSU-WIYYLYMNSA-N 2 1 345.531 3.308 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CCCC1CCCC1 ZINC001725004133 1425416422 /nfs/dbraw/zinc/41/64/22/1425416422.db2.gz UOZQRODXLWYEGG-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccccc1C ZINC001725053858 1425487730 /nfs/dbraw/zinc/48/77/30/1425487730.db2.gz PDZHZJSFDKIERC-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1C ZINC001725053858 1425487736 /nfs/dbraw/zinc/48/77/36/1425487736.db2.gz PDZHZJSFDKIERC-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1C ZINC001725053858 1425487737 /nfs/dbraw/zinc/48/77/37/1425487737.db2.gz PDZHZJSFDKIERC-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCC[NH+](CCCC(C)(C)C)C3)C1 ZINC001725344345 1425994699 /nfs/dbraw/zinc/99/46/99/1425994699.db2.gz FVLWNRCGNBVDAL-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CC3(C2)CCC[N@H+](CCCC(C)(C)C)C3)C1 ZINC001725344345 1425994702 /nfs/dbraw/zinc/99/47/02/1425994702.db2.gz FVLWNRCGNBVDAL-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CC3(C2)CCC[N@@H+](CCCC(C)(C)C)C3)C1 ZINC001725344345 1425994705 /nfs/dbraw/zinc/99/47/05/1425994705.db2.gz FVLWNRCGNBVDAL-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](C)CCCC2CCC2)CC1 ZINC001725421401 1426070620 /nfs/dbraw/zinc/07/06/20/1426070620.db2.gz URLVPUGVOSXNPN-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CCCC2CCC2)CC1 ZINC001725421401 1426070627 /nfs/dbraw/zinc/07/06/27/1426070627.db2.gz URLVPUGVOSXNPN-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CCCC2CCC2)CC1 ZINC001725421401 1426070632 /nfs/dbraw/zinc/07/06/32/1426070632.db2.gz URLVPUGVOSXNPN-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001731719464 1427786428 /nfs/dbraw/zinc/78/64/28/1427786428.db2.gz GVZNFHCNGFLVDV-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001731719464 1427786430 /nfs/dbraw/zinc/78/64/30/1427786430.db2.gz GVZNFHCNGFLVDV-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001731719464 1427786433 /nfs/dbraw/zinc/78/64/33/1427786433.db2.gz GVZNFHCNGFLVDV-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CCc1ccccc1C[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001731803933 1427971484 /nfs/dbraw/zinc/97/14/84/1427971484.db2.gz XAEYGGQDIPTXHS-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001731803933 1427971495 /nfs/dbraw/zinc/97/14/95/1427971495.db2.gz XAEYGGQDIPTXHS-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001731803933 1427971497 /nfs/dbraw/zinc/97/14/97/1427971497.db2.gz XAEYGGQDIPTXHS-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](CC[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001733670570 1429864018 /nfs/dbraw/zinc/86/40/18/1429864018.db2.gz LWFIFIZFHRWONY-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001733773349 1430009621 /nfs/dbraw/zinc/00/96/21/1430009621.db2.gz DDBMUENRPDDVPM-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001733773349 1430009634 /nfs/dbraw/zinc/00/96/34/1430009634.db2.gz DDBMUENRPDDVPM-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001733773349 1430009637 /nfs/dbraw/zinc/00/96/37/1430009637.db2.gz DDBMUENRPDDVPM-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@H](c1ccccc1F)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001733773235 1430009990 /nfs/dbraw/zinc/00/99/90/1430009990.db2.gz ZSAAQLRTOPUSBB-JFIYKMOQSA-N 2 1 349.494 3.007 20 0 EGADMP C[C@H](c1ccccc1F)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001733773235 1430009998 /nfs/dbraw/zinc/00/99/98/1430009998.db2.gz ZSAAQLRTOPUSBB-JFIYKMOQSA-N 2 1 349.494 3.007 20 0 EGADMP C[C@H](c1ccccc1F)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001733773235 1430010006 /nfs/dbraw/zinc/01/00/06/1430010006.db2.gz ZSAAQLRTOPUSBB-JFIYKMOQSA-N 2 1 349.494 3.007 20 0 EGADMP CC[C@@H](C(=O)N1CCC(C[N@@H+](CC)C(C)C)CC1)[NH+](CC)CC ZINC001733919770 1437733280 /nfs/dbraw/zinc/73/32/80/1437733280.db2.gz JPAMNVUTLXYLDH-SFHVURJKSA-N 2 1 325.541 3.076 20 0 EGADMP CN(CC(C)(C)C[NH2+]CC1CC2(CCC2)C1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001734021211 1437810171 /nfs/dbraw/zinc/81/01/71/1437810171.db2.gz BDIGYHYZBCWASD-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC12CC[NH+](CC1CCCCCC1)CC2 ZINC001752432054 1440178655 /nfs/dbraw/zinc/17/86/55/1440178655.db2.gz RTFOJJRVVDYPJC-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001752512130 1440190433 /nfs/dbraw/zinc/19/04/33/1440190433.db2.gz AYGAMURBQSTUOG-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001752517977 1440191958 /nfs/dbraw/zinc/19/19/58/1440191958.db2.gz KYMMTYOZRYZKRZ-FHWLQOOXSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001752517977 1440191959 /nfs/dbraw/zinc/19/19/59/1440191959.db2.gz KYMMTYOZRYZKRZ-FHWLQOOXSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001752517977 1440191960 /nfs/dbraw/zinc/19/19/60/1440191960.db2.gz KYMMTYOZRYZKRZ-FHWLQOOXSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001752538592 1440194543 /nfs/dbraw/zinc/19/45/43/1440194543.db2.gz NCUADYJGMHYKRS-KDURUIRLSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001752544547 1440194980 /nfs/dbraw/zinc/19/49/80/1440194980.db2.gz BKRVSTYYMRBJKA-BGYRXZFFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001752545689 1440195171 /nfs/dbraw/zinc/19/51/71/1440195171.db2.gz ZKNDAKGCYAGZDQ-ZCNNSNEGSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](C)CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC(C)(C)C)CC1 ZINC001752697504 1440200990 /nfs/dbraw/zinc/20/09/90/1440200990.db2.gz GMHCZLBDXFUPLW-AYHJJNSGSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001752784583 1440210763 /nfs/dbraw/zinc/21/07/63/1440210763.db2.gz FPCSMVHYXGBJSS-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001752828066 1440224365 /nfs/dbraw/zinc/22/43/65/1440224365.db2.gz YTPGPKCFLQXHHT-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001752840123 1440230058 /nfs/dbraw/zinc/23/00/58/1440230058.db2.gz GWBOWQXYHWGLJT-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001752840123 1440230059 /nfs/dbraw/zinc/23/00/59/1440230059.db2.gz GWBOWQXYHWGLJT-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001752840123 1440230060 /nfs/dbraw/zinc/23/00/60/1440230060.db2.gz GWBOWQXYHWGLJT-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H]1CCC[NH+](Cc2cccc(C)c2)C1 ZINC001752842353 1440231208 /nfs/dbraw/zinc/23/12/08/1440231208.db2.gz YSUGAXDZTWDUHJ-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC001752842353 1440231209 /nfs/dbraw/zinc/23/12/09/1440231209.db2.gz YSUGAXDZTWDUHJ-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC001752842353 1440231210 /nfs/dbraw/zinc/23/12/10/1440231210.db2.gz YSUGAXDZTWDUHJ-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH2+]CC1=CCCCC1 ZINC001752873121 1440237430 /nfs/dbraw/zinc/23/74/30/1440237430.db2.gz OYBRNHNTJWHOLM-IEBWSBKVSA-N 2 1 347.547 3.236 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001752875668 1440237991 /nfs/dbraw/zinc/23/79/91/1440237991.db2.gz LRUBFUXIQCKKGH-HOTGVXAUSA-N 2 1 346.519 3.071 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001752907361 1440244575 /nfs/dbraw/zinc/24/45/75/1440244575.db2.gz BMCIANKBWXTRHX-MRXNPFEDSA-N 2 1 348.535 3.282 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC001752907677 1440244753 /nfs/dbraw/zinc/24/47/53/1440244753.db2.gz IRMFRUFBBHGEFY-IAGOWNOFSA-N 2 1 342.487 3.136 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001752990600 1440259475 /nfs/dbraw/zinc/25/94/75/1440259475.db2.gz HPNKDHLXSULNMH-LSWULPBNSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001752990600 1440259476 /nfs/dbraw/zinc/25/94/76/1440259476.db2.gz HPNKDHLXSULNMH-LSWULPBNSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001752990600 1440259477 /nfs/dbraw/zinc/25/94/77/1440259477.db2.gz HPNKDHLXSULNMH-LSWULPBNSA-N 2 1 349.563 3.386 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2ccccc2CC)C1 ZINC001752996737 1440262208 /nfs/dbraw/zinc/26/22/08/1440262208.db2.gz HRGMWKDFGRUDBL-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2CC)C1 ZINC001752996737 1440262209 /nfs/dbraw/zinc/26/22/09/1440262209.db2.gz HRGMWKDFGRUDBL-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2CC)C1 ZINC001752996737 1440262210 /nfs/dbraw/zinc/26/22/10/1440262210.db2.gz HRGMWKDFGRUDBL-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001753035212 1440274278 /nfs/dbraw/zinc/27/42/78/1440274278.db2.gz ASZXXPWUJBRQKD-SFHVURJKSA-N 2 1 346.519 3.334 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001753035212 1440274279 /nfs/dbraw/zinc/27/42/79/1440274279.db2.gz ASZXXPWUJBRQKD-SFHVURJKSA-N 2 1 346.519 3.334 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001753040260 1440275906 /nfs/dbraw/zinc/27/59/06/1440275906.db2.gz UNTFBFDZBPTGFO-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001753040260 1440275907 /nfs/dbraw/zinc/27/59/07/1440275907.db2.gz UNTFBFDZBPTGFO-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001753040260 1440275908 /nfs/dbraw/zinc/27/59/08/1440275908.db2.gz UNTFBFDZBPTGFO-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CCC1CCCCC1 ZINC001753085302 1440295865 /nfs/dbraw/zinc/29/58/65/1440295865.db2.gz VOTTVYGPJQXLAJ-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)CCC1CCCCC1 ZINC001753085302 1440295866 /nfs/dbraw/zinc/29/58/66/1440295866.db2.gz VOTTVYGPJQXLAJ-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)CCC1CCCCC1 ZINC001753085302 1440295867 /nfs/dbraw/zinc/29/58/67/1440295867.db2.gz VOTTVYGPJQXLAJ-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001753094804 1440301901 /nfs/dbraw/zinc/30/19/01/1440301901.db2.gz JAJWYMIORNBIFV-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001753094804 1440301902 /nfs/dbraw/zinc/30/19/02/1440301902.db2.gz JAJWYMIORNBIFV-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001753094804 1440301903 /nfs/dbraw/zinc/30/19/03/1440301903.db2.gz JAJWYMIORNBIFV-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001753112345 1440308986 /nfs/dbraw/zinc/30/89/86/1440308986.db2.gz AVQAKVUNHVKUEX-NYQZOWANSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CC1CCCCCC1 ZINC001753117286 1440312147 /nfs/dbraw/zinc/31/21/47/1440312147.db2.gz ZUKCEPNRSCPNKS-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001753117286 1440312148 /nfs/dbraw/zinc/31/21/48/1440312148.db2.gz ZUKCEPNRSCPNKS-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001753117286 1440312149 /nfs/dbraw/zinc/31/21/49/1440312149.db2.gz ZUKCEPNRSCPNKS-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1)c1ccccc1 ZINC001753119117 1440312729 /nfs/dbraw/zinc/31/27/29/1440312729.db2.gz LYWSTJUPVRFSPH-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1)c1ccccc1 ZINC001753119117 1440312730 /nfs/dbraw/zinc/31/27/30/1440312730.db2.gz LYWSTJUPVRFSPH-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001753137280 1440319379 /nfs/dbraw/zinc/31/93/79/1440319379.db2.gz HPSVRNQJWCLFHU-QFBILLFUSA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001753137280 1440319380 /nfs/dbraw/zinc/31/93/80/1440319380.db2.gz HPSVRNQJWCLFHU-QFBILLFUSA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001753137280 1440319381 /nfs/dbraw/zinc/31/93/81/1440319381.db2.gz HPSVRNQJWCLFHU-QFBILLFUSA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)c1ccc(C[NH+]2CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001753140187 1440320675 /nfs/dbraw/zinc/32/06/75/1440320675.db2.gz LAAVAGCQKVUXJJ-LJQANCHMSA-N 2 1 345.531 3.088 20 0 EGADMP CC(C)c1ccc(C[N@H+]2CC[C@H](CNC(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001753140187 1440320676 /nfs/dbraw/zinc/32/06/76/1440320676.db2.gz LAAVAGCQKVUXJJ-LJQANCHMSA-N 2 1 345.531 3.088 20 0 EGADMP CC(C)c1ccc(C[N@@H+]2CC[C@H](CNC(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001753140187 1440320677 /nfs/dbraw/zinc/32/06/77/1440320677.db2.gz LAAVAGCQKVUXJJ-LJQANCHMSA-N 2 1 345.531 3.088 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCC(C)(C)C)C1)c1ccccc1 ZINC001753140635 1440321003 /nfs/dbraw/zinc/32/10/03/1440321003.db2.gz PIMUWOMBCFBASS-PKOBYXMFSA-N 2 1 345.531 3.164 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCC(C)(C)C)C1)c1ccccc1 ZINC001753140635 1440321004 /nfs/dbraw/zinc/32/10/04/1440321004.db2.gz PIMUWOMBCFBASS-PKOBYXMFSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[N@@H+](CCNC(=O)Cn1cncc1C)[C@H](C)c1ccccc1C ZINC001753146296 1440324763 /nfs/dbraw/zinc/32/47/63/1440324763.db2.gz PPOQPSBMTCZDLB-GOSISDBHSA-N 2 1 342.487 3.089 20 0 EGADMP CCC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@H](C)c1ccccc1C ZINC001753146296 1440324764 /nfs/dbraw/zinc/32/47/64/1440324764.db2.gz PPOQPSBMTCZDLB-GOSISDBHSA-N 2 1 342.487 3.089 20 0 EGADMP CCC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@H](C)c1ccccc1C ZINC001753146296 1440324765 /nfs/dbraw/zinc/32/47/65/1440324765.db2.gz PPOQPSBMTCZDLB-GOSISDBHSA-N 2 1 342.487 3.089 20 0 EGADMP CCC[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC1CC2(CCC2)C1 ZINC001753149656 1440326966 /nfs/dbraw/zinc/32/69/66/1440326966.db2.gz KDJPSEKSNJVRHY-HDICACEKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CC1CC2(CCC2)C1 ZINC001753149656 1440326967 /nfs/dbraw/zinc/32/69/67/1440326967.db2.gz KDJPSEKSNJVRHY-HDICACEKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC1CC2(CCC2)C1 ZINC001753149656 1440326968 /nfs/dbraw/zinc/32/69/68/1440326968.db2.gz KDJPSEKSNJVRHY-HDICACEKSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@@H+](CCC1=CCCCC1)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001753350960 1440377822 /nfs/dbraw/zinc/37/78/22/1440377822.db2.gz BMAAKWNYEKTBHV-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CCC1=CCCCC1)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001753350960 1440377823 /nfs/dbraw/zinc/37/78/23/1440377823.db2.gz BMAAKWNYEKTBHV-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CCC1=CCCCC1)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001753350960 1440377824 /nfs/dbraw/zinc/37/78/24/1440377824.db2.gz BMAAKWNYEKTBHV-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP C[N@@H+](CCC1CCCCCC1)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001753359714 1440382160 /nfs/dbraw/zinc/38/21/60/1440382160.db2.gz JNICHYZSDNBJHB-FQEVSTJZSA-N 2 1 349.563 3.223 20 0 EGADMP C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCC1)CC(C)(C)C ZINC001753425029 1440396504 /nfs/dbraw/zinc/39/65/04/1440396504.db2.gz MPIIFVFIIAMAPM-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCC1)CC(C)(C)C ZINC001753425029 1440396505 /nfs/dbraw/zinc/39/65/05/1440396505.db2.gz MPIIFVFIIAMAPM-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCCC1)CC(C)(C)C ZINC001753425029 1440396506 /nfs/dbraw/zinc/39/65/06/1440396506.db2.gz MPIIFVFIIAMAPM-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001753448207 1440404974 /nfs/dbraw/zinc/40/49/74/1440404974.db2.gz PBDRLVIQDDQLCV-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001753448207 1440404975 /nfs/dbraw/zinc/40/49/75/1440404975.db2.gz PBDRLVIQDDQLCV-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001753448207 1440404976 /nfs/dbraw/zinc/40/49/76/1440404976.db2.gz PBDRLVIQDDQLCV-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C)cc1C ZINC001753477955 1440415696 /nfs/dbraw/zinc/41/56/96/1440415696.db2.gz RGTMSVRSDAKIPV-UXHICEINSA-N 2 1 345.531 3.162 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](CC)[NH2+]Cc2ccc(C)cc2)C1 ZINC001753485434 1440417734 /nfs/dbraw/zinc/41/77/34/1440417734.db2.gz XSTMSCSWBBXGLQ-UXHICEINSA-N 2 1 345.531 3.101 20 0 EGADMP C[C@@H]([NH2+]CC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC001753510269 1440425759 /nfs/dbraw/zinc/42/57/59/1440425759.db2.gz NUCCDSACJDWNDE-QZTJIDSGSA-N 2 1 343.515 3.108 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@](C)(C[NH2+]CCC2CCCC2)C2CC2)CC[N@H+]1C ZINC001753523855 1440429050 /nfs/dbraw/zinc/42/90/50/1440429050.db2.gz RNQFKODZQJHXRH-MDKPJZGXSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001753547870 1440434558 /nfs/dbraw/zinc/43/45/58/1440434558.db2.gz FZOWRPUZSGXYKM-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001753586529 1440441485 /nfs/dbraw/zinc/44/14/85/1440441485.db2.gz RPFGXEJPHUCZPN-WTGUMLROSA-N 2 1 349.563 3.457 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001753587632 1440441774 /nfs/dbraw/zinc/44/17/74/1440441774.db2.gz XQMPWIHRABCJBP-MXVIHJGJSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCCC2CCC2)CC1 ZINC001753587943 1440441943 /nfs/dbraw/zinc/44/19/43/1440441943.db2.gz TURNPDUYRWCDFN-BMOGMMAESA-N 2 1 349.563 3.457 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001753595428 1440444501 /nfs/dbraw/zinc/44/45/01/1440444501.db2.gz XUMOWMZWCKFTHL-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC1CC[NH+](CCC(C)C)CC1 ZINC001753599509 1440445991 /nfs/dbraw/zinc/44/59/91/1440445991.db2.gz DGFSDFPZWOZQMD-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC(C)(C)C ZINC001753632113 1440452322 /nfs/dbraw/zinc/45/23/22/1440452322.db2.gz HLUPBVGGNZTAII-SJORKVTESA-N 2 1 325.541 3.027 20 0 EGADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]CCC1CCCCCC1 ZINC001753637820 1440453602 /nfs/dbraw/zinc/45/36/02/1440453602.db2.gz ONNGCDXBZUJJKO-IEBWSBKVSA-N 2 1 337.552 3.031 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C1CCC1)c1ccc(F)cc1 ZINC001753695900 1440467492 /nfs/dbraw/zinc/46/74/92/1440467492.db2.gz AKDNEGOKUDZPAA-DNVCBOLYSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001753695835 1440467599 /nfs/dbraw/zinc/46/75/99/1440467599.db2.gz ZBWHIHYUMIQXKP-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H](C[NH2+]CC1CCC(C)(C)CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001753698732 1440467930 /nfs/dbraw/zinc/46/79/30/1440467930.db2.gz JONNGISECMSNRW-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[C@H](C[NH2+]CC1CCCC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001753738485 1440478426 /nfs/dbraw/zinc/47/84/26/1440478426.db2.gz JXAXVFPEBRYRAO-YTQUADARSA-N 2 1 337.552 3.027 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CCC2CC2)C2CCCCC2)CC[N@H+]1C ZINC001753746186 1440481025 /nfs/dbraw/zinc/48/10/25/1440481025.db2.gz PSMOLYZKFIYBLP-SLFFLAALSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)Cc1ccc2ccccc2c1 ZINC001753867503 1440515571 /nfs/dbraw/zinc/51/55/71/1440515571.db2.gz UUIQBILDHASXTB-UHFFFAOYSA-N 2 1 341.499 3.072 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)Cc1ccc2ccccc2c1 ZINC001753867503 1440515572 /nfs/dbraw/zinc/51/55/72/1440515572.db2.gz UUIQBILDHASXTB-UHFFFAOYSA-N 2 1 341.499 3.072 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)Cc1ccc2ccccc2c1 ZINC001753867503 1440515573 /nfs/dbraw/zinc/51/55/73/1440515573.db2.gz UUIQBILDHASXTB-UHFFFAOYSA-N 2 1 341.499 3.072 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CCCC2CCCC2)C1 ZINC001753877780 1440520018 /nfs/dbraw/zinc/52/00/18/1440520018.db2.gz JOFPMYNYJYGLDN-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCC2CCCC2)C1 ZINC001753877780 1440520019 /nfs/dbraw/zinc/52/00/19/1440520019.db2.gz JOFPMYNYJYGLDN-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCCC2CCCC2)C1 ZINC001753877780 1440520020 /nfs/dbraw/zinc/52/00/20/1440520020.db2.gz JOFPMYNYJYGLDN-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001753971283 1440527180 /nfs/dbraw/zinc/52/71/80/1440527180.db2.gz WBNOXPVIONFRRH-FXAWDEMLSA-N 2 1 343.515 3.078 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C1CC1 ZINC001754228493 1440553737 /nfs/dbraw/zinc/55/37/37/1440553737.db2.gz KCGOGSVAWIEMND-OXQOHEQNSA-N 2 1 343.515 3.033 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001754285879 1440564232 /nfs/dbraw/zinc/56/42/32/1440564232.db2.gz PLVDASMOOAUSAY-PKOBYXMFSA-N 2 1 335.536 3.234 20 0 EGADMP C[C@H](C[N@@H+](C)Cc1cc2ccccc2s1)NC(=O)CCC[NH+](C)C ZINC001754324274 1440579709 /nfs/dbraw/zinc/57/97/09/1440579709.db2.gz RFSMZZFFPQFKDP-OAHLLOKOSA-N 2 1 347.528 3.180 20 0 EGADMP C[C@H](C[N@@H+](C)CC1CCCCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001754331406 1440584140 /nfs/dbraw/zinc/58/41/40/1440584140.db2.gz SLOVFGDKBIOBQX-QGZVFWFLSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H](C[N@@H+](C)CC1CC(C)(C)C1)NC(=O)CCC[NH+]1CCCCC1 ZINC001754332948 1440585191 /nfs/dbraw/zinc/58/51/91/1440585191.db2.gz IYEPUEPCEJXDGQ-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP O=C(N[C@@H](C[NH2+]CCC1CC1)C1CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001754449257 1440600568 /nfs/dbraw/zinc/60/05/68/1440600568.db2.gz NUFSDOQMGCPREI-VQTJNVASSA-N 2 1 347.547 3.068 20 0 EGADMP O=C(N[C@H](C[NH2+]CCC1CC1)C1CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001754449258 1440600594 /nfs/dbraw/zinc/60/05/94/1440600594.db2.gz NUFSDOQMGCPREI-WOJBJXKFSA-N 2 1 347.547 3.068 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001754660428 1440654693 /nfs/dbraw/zinc/65/46/93/1440654693.db2.gz WSSBQBLUQKQULQ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001754660428 1440654694 /nfs/dbraw/zinc/65/46/94/1440654694.db2.gz WSSBQBLUQKQULQ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001754660428 1440654695 /nfs/dbraw/zinc/65/46/95/1440654695.db2.gz WSSBQBLUQKQULQ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001754661253 1440654988 /nfs/dbraw/zinc/65/49/88/1440654988.db2.gz ANXZZOLEPLGLHF-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CCC)C2 ZINC001754662400 1440655384 /nfs/dbraw/zinc/65/53/84/1440655384.db2.gz YKSHODNQVZBCBF-HXUWFJFHSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)CCC)C2 ZINC001754662400 1440655385 /nfs/dbraw/zinc/65/53/85/1440655385.db2.gz YKSHODNQVZBCBF-HXUWFJFHSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)CCC)C2 ZINC001754662400 1440655386 /nfs/dbraw/zinc/65/53/86/1440655386.db2.gz YKSHODNQVZBCBF-HXUWFJFHSA-N 2 1 337.552 3.223 20 0 EGADMP CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001754703176 1440668392 /nfs/dbraw/zinc/66/83/92/1440668392.db2.gz JVNGRAIKPGUBPC-TZIWHRDSSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1(C)CC[NH+](Cc2cccc(C)c2)CC1 ZINC001754721658 1440673488 /nfs/dbraw/zinc/67/34/88/1440673488.db2.gz WIRRQNZFQGGTHL-UHFFFAOYSA-N 2 1 345.531 3.055 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001754734410 1440681597 /nfs/dbraw/zinc/68/15/97/1440681597.db2.gz VJHPCSNPTYRHSF-WIYYLYMNSA-N 2 1 343.515 3.062 20 0 EGADMP CC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001754961696 1440717824 /nfs/dbraw/zinc/71/78/24/1440717824.db2.gz CRJMQGDXCYDWCO-ZMBJWTFHSA-N 2 1 347.547 3.142 20 0 EGADMP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC001754980538 1440721092 /nfs/dbraw/zinc/72/10/92/1440721092.db2.gz HKLSBWWYDXFDPQ-GOSISDBHSA-N 2 1 349.563 3.460 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001754980480 1440721215 /nfs/dbraw/zinc/72/12/15/1440721215.db2.gz DWKMERYDXUIEOO-MSOLQXFVSA-N 2 1 337.552 3.170 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001755026777 1440729052 /nfs/dbraw/zinc/72/90/52/1440729052.db2.gz WUBHRAKGGIJLEI-SFHVURJKSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001755038073 1440735542 /nfs/dbraw/zinc/73/55/42/1440735542.db2.gz LXXYFDJXARTWJD-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)CCCN(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001755042961 1440738665 /nfs/dbraw/zinc/73/86/65/1440738665.db2.gz YBCGBKKNJBKKJR-GOSISDBHSA-N 2 1 345.531 3.178 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001755048035 1440742306 /nfs/dbraw/zinc/74/23/06/1440742306.db2.gz SVTDRGNGEGXMDJ-UXHICEINSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001755048035 1440742307 /nfs/dbraw/zinc/74/23/07/1440742307.db2.gz SVTDRGNGEGXMDJ-UXHICEINSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001755048035 1440742308 /nfs/dbraw/zinc/74/23/08/1440742308.db2.gz SVTDRGNGEGXMDJ-UXHICEINSA-N 2 1 349.563 3.243 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC(CC)([NH2+]CCC3CC3)CC2)C1 ZINC001755070926 1440746560 /nfs/dbraw/zinc/74/65/60/1440746560.db2.gz BPZNQGMBAWLCJS-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCC1([NH2+]CC2CCC(C)CC2)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001755073083 1440747411 /nfs/dbraw/zinc/74/74/11/1440747411.db2.gz FYUGXEYLXVWFGJ-ACBHZAAOSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001755142703 1440761540 /nfs/dbraw/zinc/76/15/40/1440761540.db2.gz DQNQXLHOYRXYAO-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C)cs1 ZINC001755162666 1440765394 /nfs/dbraw/zinc/76/53/94/1440765394.db2.gz YBMKYJRRHKPPKT-PBHICJAKSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)C1CCC([NH2+]CCCC2CCC2)CC1 ZINC001755275606 1440798870 /nfs/dbraw/zinc/79/88/70/1440798870.db2.gz YLBHOSIRBGTFAH-UHFFFAOYSA-N 2 1 346.519 3.131 20 0 EGADMP CC(C)c1ccc(C[NH+](C)[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001755300518 1440808248 /nfs/dbraw/zinc/80/82/48/1440808248.db2.gz RFFSNYRJSMFCCU-SQGPQFPESA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)c1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1 ZINC001755300518 1440808249 /nfs/dbraw/zinc/80/82/49/1440808249.db2.gz RFFSNYRJSMFCCU-SQGPQFPESA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)c1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1 ZINC001755300518 1440808250 /nfs/dbraw/zinc/80/82/50/1440808250.db2.gz RFFSNYRJSMFCCU-SQGPQFPESA-N 2 1 345.531 3.087 20 0 EGADMP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001755318948 1440817276 /nfs/dbraw/zinc/81/72/76/1440817276.db2.gz DUTDSLPHURKMKK-QGZVFWFLSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(NC1(C[NH2+]CC2CCC2)CCCCC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001755352846 1440828296 /nfs/dbraw/zinc/82/82/96/1440828296.db2.gz PBLYTLIMRVDPSJ-OALUTQOASA-N 2 1 347.547 3.212 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001755376552 1440838347 /nfs/dbraw/zinc/83/83/47/1440838347.db2.gz FQXSWCFNTACHBN-SJLPKXTDSA-N 2 1 337.552 3.122 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)CC1(C)C ZINC001755414051 1440847769 /nfs/dbraw/zinc/84/77/69/1440847769.db2.gz OMOQQSOOKVFRGW-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755415449 1440848344 /nfs/dbraw/zinc/84/83/44/1440848344.db2.gz INVKRWYQNWZJOL-MAUKXSAKSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755415449 1440848345 /nfs/dbraw/zinc/84/83/45/1440848345.db2.gz INVKRWYQNWZJOL-MAUKXSAKSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755415449 1440848346 /nfs/dbraw/zinc/84/83/46/1440848346.db2.gz INVKRWYQNWZJOL-MAUKXSAKSA-N 2 1 349.494 3.054 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H](C[NH2+]CCCC2CCC2)C2CC2)CC[N@H+]1C ZINC001755566282 1440875856 /nfs/dbraw/zinc/87/58/56/1440875856.db2.gz QCDIMXCXZRZDPC-FFZOFVMBSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H](C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001755566917 1440876032 /nfs/dbraw/zinc/87/60/32/1440876032.db2.gz DFUGDLWGHHZHGI-YLJYHZDGSA-N 2 1 347.547 3.045 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C[C@H](C2CC2)N(C)C(=O)C[N@H+](C)C(C)C)c1 ZINC001755573749 1440877635 /nfs/dbraw/zinc/87/76/35/1440877635.db2.gz TXYLNZWDQJXICP-FXAWDEMLSA-N 2 1 345.531 3.223 20 0 EGADMP CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@H]2C)cc1 ZINC001755665479 1440893346 /nfs/dbraw/zinc/89/33/46/1440893346.db2.gz WZALGBQFGSJORV-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001755686197 1440895914 /nfs/dbraw/zinc/89/59/14/1440895914.db2.gz HTIFMJUXNKMMPP-SJLPKXTDSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCC2CCCC2)CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001755685932 1440895930 /nfs/dbraw/zinc/89/59/30/1440895930.db2.gz CWWWTLZRIJVCCA-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CC1CC3(CCC3)C1)CC2 ZINC001755704391 1440901892 /nfs/dbraw/zinc/90/18/92/1440901892.db2.gz LCBWVTQLGJOXBP-GHTZIAJQSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@]12CCC[C@@H]1[N@H+](CC1CC3(CCC3)C1)CC2 ZINC001755704391 1440901893 /nfs/dbraw/zinc/90/18/93/1440901893.db2.gz LCBWVTQLGJOXBP-GHTZIAJQSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC1CC3(CCC3)C1)CC2 ZINC001755704391 1440901894 /nfs/dbraw/zinc/90/18/94/1440901894.db2.gz LCBWVTQLGJOXBP-GHTZIAJQSA-N 2 1 347.547 3.022 20 0 EGADMP CC1CC(C[N@H+]2CC[C@]3(NC(=O)CCC[NH+]4CCCC4)CCC[C@@H]23)C1 ZINC001755704793 1440902095 /nfs/dbraw/zinc/90/20/95/1440902095.db2.gz QHDGPKFQVQETBU-SDVBZNEUSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cc(C)ccc2C)C1 ZINC001755746343 1440912511 /nfs/dbraw/zinc/91/25/11/1440912511.db2.gz HDXBSFPYAVOCQQ-AZUAARDMSA-N 2 1 345.531 3.020 20 0 EGADMP CCCCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC1(C)C ZINC001755764573 1440915885 /nfs/dbraw/zinc/91/58/85/1440915885.db2.gz VLBOXMZBWHHZJX-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001755765112 1440915984 /nfs/dbraw/zinc/91/59/84/1440915984.db2.gz IUZAUMNPRQTBGH-MAUKXSAKSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)N(CC[N@@H+](C)CC1CCCCC1)C(=O)C[NH+](C)C(C)C ZINC001755815623 1440923480 /nfs/dbraw/zinc/92/34/80/1440923480.db2.gz QCLUJIGYZVQUBP-UHFFFAOYSA-N 2 1 325.541 3.076 20 0 EGADMP CC(C)N(CC[NH+](C)CC1CCCCC1)C(=O)C[N@H+](C)C(C)C ZINC001755815623 1440923481 /nfs/dbraw/zinc/92/34/81/1440923481.db2.gz QCLUJIGYZVQUBP-UHFFFAOYSA-N 2 1 325.541 3.076 20 0 EGADMP CC(C)N(CC[NH+](C)CC1CCCCC1)C(=O)C[N@@H+](C)C(C)C ZINC001755815623 1440923482 /nfs/dbraw/zinc/92/34/82/1440923482.db2.gz QCLUJIGYZVQUBP-UHFFFAOYSA-N 2 1 325.541 3.076 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H](C[NH2+]CCCC2CCC2)C(C)(C)C)C1 ZINC001755832582 1440929140 /nfs/dbraw/zinc/92/91/40/1440929140.db2.gz PZJKCWIRPKAYCD-WMZOPIPTSA-N 2 1 337.552 3.029 20 0 EGADMP CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001755846688 1440933541 /nfs/dbraw/zinc/93/35/41/1440933541.db2.gz KCPAUSPQASYQTF-GGVAOPBYSA-N 2 1 349.563 3.432 20 0 EGADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3c([nH+]1)CCC3)[C@@H]2C ZINC001164859824 720951388 /nfs/dbraw/zinc/95/13/88/720951388.db2.gz NRVHQRANMCBFRW-OAHLLOKOSA-N 2 1 339.487 3.188 20 0 EGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3c([nH+]1)CCC3)[C@@H]2C ZINC001164859824 720951391 /nfs/dbraw/zinc/95/13/91/720951391.db2.gz NRVHQRANMCBFRW-OAHLLOKOSA-N 2 1 339.487 3.188 20 0 EGADMP COc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)ccc1OC(F)F ZINC000368950302 168383777 /nfs/dbraw/zinc/38/37/77/168383777.db2.gz LVUMYWRZDIDYFP-UHFFFAOYSA-N 2 1 340.414 3.357 20 0 EGADMP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000178105170 232084038 /nfs/dbraw/zinc/08/40/38/232084038.db2.gz XBRCVPQDLMZPMB-IBGZPJMESA-N 2 1 343.515 3.019 20 0 EGADMP C[N@@H+](Cc1ncc(Cl)cc1Br)CC1CC[NH+](C)CC1 ZINC000529528001 313344586 /nfs/dbraw/zinc/34/45/86/313344586.db2.gz FBCVROOERIGMSI-UHFFFAOYSA-N 2 1 346.700 3.271 20 0 EGADMP C[N@H+](Cc1ncc(Cl)cc1Br)CC1CC[NH+](C)CC1 ZINC000529528001 313344592 /nfs/dbraw/zinc/34/45/92/313344592.db2.gz FBCVROOERIGMSI-UHFFFAOYSA-N 2 1 346.700 3.271 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]CCSCc2ccccc2)CC1 ZINC000193911295 240359269 /nfs/dbraw/zinc/35/92/69/240359269.db2.gz XZRQILUFVHSADB-UHFFFAOYSA-N 2 1 336.545 3.399 20 0 EGADMP COc1cc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cc(OC)c1O ZINC000263872886 201208951 /nfs/dbraw/zinc/20/89/51/201208951.db2.gz XZUIWQQITDBVKG-UHFFFAOYSA-N 2 1 344.455 3.021 20 0 EGADMP COc1cc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc(OC)c1O ZINC000263872886 201208954 /nfs/dbraw/zinc/20/89/54/201208954.db2.gz XZUIWQQITDBVKG-UHFFFAOYSA-N 2 1 344.455 3.021 20 0 EGADMP C[C@H]([NH2+]CCC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272880092 201252253 /nfs/dbraw/zinc/25/22/53/201252253.db2.gz XQZZYPRNQXOZEP-FUHWJXTLSA-N 2 1 332.488 3.218 20 0 EGADMP COc1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000275566797 201285359 /nfs/dbraw/zinc/28/53/59/201285359.db2.gz GBVWMQTYWRLZAV-IBGZPJMESA-N 2 1 325.456 3.235 20 0 EGADMP COc1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000275566797 201285362 /nfs/dbraw/zinc/28/53/62/201285362.db2.gz GBVWMQTYWRLZAV-IBGZPJMESA-N 2 1 325.456 3.235 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749780 549326258 /nfs/dbraw/zinc/32/62/58/549326258.db2.gz SOEZKMMMSSVRTQ-WOJBJXKFSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749780 549326252 /nfs/dbraw/zinc/32/62/52/549326252.db2.gz SOEZKMMMSSVRTQ-WOJBJXKFSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749780 549326253 /nfs/dbraw/zinc/32/62/53/549326253.db2.gz SOEZKMMMSSVRTQ-WOJBJXKFSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749780 549326254 /nfs/dbraw/zinc/32/62/54/549326254.db2.gz SOEZKMMMSSVRTQ-WOJBJXKFSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749780 549326256 /nfs/dbraw/zinc/32/62/56/549326256.db2.gz SOEZKMMMSSVRTQ-WOJBJXKFSA-N 2 1 329.532 3.359 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000193970021 240381881 /nfs/dbraw/zinc/38/18/81/240381881.db2.gz DSTBYTDLJGTIQZ-QHAWAJNXSA-N 2 1 340.511 3.241 20 0 EGADMP CN(CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104098117 204097584 /nfs/dbraw/zinc/09/75/84/204097584.db2.gz XWOHPRXWJSDOTI-GFCCVEGCSA-N 2 1 344.286 3.206 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3csc4ccccc34)C2)CC1 ZINC000107372110 204235472 /nfs/dbraw/zinc/23/54/72/204235472.db2.gz ZVNKHFRYYMBYIP-KRWDZBQOSA-N 2 1 329.513 3.113 20 0 EGADMP CSc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1F ZINC000128337723 205142986 /nfs/dbraw/zinc/14/29/86/205142986.db2.gz UNGLTZHVQMZKDK-OAHLLOKOSA-N 2 1 339.524 3.226 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000129315398 205188989 /nfs/dbraw/zinc/18/89/89/205188989.db2.gz JXCTWWTVZWXLRE-IPYPFGDCSA-N 2 1 330.394 3.446 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000129315398 205188994 /nfs/dbraw/zinc/18/89/94/205188994.db2.gz JXCTWWTVZWXLRE-IPYPFGDCSA-N 2 1 330.394 3.446 20 0 EGADMP Cc1nccn1CCC[N@H+](C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000130519997 205243158 /nfs/dbraw/zinc/24/31/58/205243158.db2.gz BPANHJCBAMAIEB-UHFFFAOYSA-N 2 1 339.439 3.437 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000130519997 205243165 /nfs/dbraw/zinc/24/31/65/205243165.db2.gz BPANHJCBAMAIEB-UHFFFAOYSA-N 2 1 339.439 3.437 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)cc(Cl)c1 ZINC000131169351 205276031 /nfs/dbraw/zinc/27/60/31/205276031.db2.gz AFXMOYLWNUHCPP-UHFFFAOYSA-N 2 1 330.303 3.063 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)c1ccccc1 ZINC000343801430 284371263 /nfs/dbraw/zinc/37/12/63/284371263.db2.gz IWQLOWUBBPLQBB-HFSMHLIXSA-N 2 1 345.531 3.306 20 0 EGADMP Fc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1Cl ZINC000134087141 205392448 /nfs/dbraw/zinc/39/24/48/205392448.db2.gz CGAHHNJHFMEXQY-UHFFFAOYSA-N 2 1 326.843 3.023 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc3cc[nH]c32)[C@H](C)C1 ZINC000265209583 247299879 /nfs/dbraw/zinc/29/98/79/247299879.db2.gz UEOVNYNOCQHVPL-APWZRJJASA-N 2 1 329.488 3.395 20 0 EGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000265353250 247431392 /nfs/dbraw/zinc/43/13/92/247431392.db2.gz XXDMTDDOZUPACR-LJQANCHMSA-N 2 1 343.515 3.086 20 0 EGADMP Cc1noc(C)c1CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377335106 169010971 /nfs/dbraw/zinc/01/09/71/169010971.db2.gz FRZUEHOYCBZLAH-MOPGFXCFSA-N 2 1 325.456 3.245 20 0 EGADMP Cc1noc(C)c1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377335106 169010972 /nfs/dbraw/zinc/01/09/72/169010972.db2.gz FRZUEHOYCBZLAH-MOPGFXCFSA-N 2 1 325.456 3.245 20 0 EGADMP Cc1noc(C)c1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377335106 169010974 /nfs/dbraw/zinc/01/09/74/169010974.db2.gz FRZUEHOYCBZLAH-MOPGFXCFSA-N 2 1 325.456 3.245 20 0 EGADMP CN(c1ccccc1C[N@H+]1CCCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000378348589 169104974 /nfs/dbraw/zinc/10/49/74/169104974.db2.gz ZAORMAYWDIXBHG-UHFFFAOYSA-N 2 1 345.531 3.218 20 0 EGADMP c1ccc2sc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)nc2c1 ZINC000174238032 207003035 /nfs/dbraw/zinc/00/30/35/207003035.db2.gz YPOIQBJQEOVJQT-UHFFFAOYSA-N 2 1 345.512 3.373 20 0 EGADMP CC(C)COC[C@@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915244 207274233 /nfs/dbraw/zinc/27/42/33/207274233.db2.gz NHJFHSQOBHIQIU-JBACZVJFSA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915244 207274235 /nfs/dbraw/zinc/27/42/35/207274235.db2.gz NHJFHSQOBHIQIU-JBACZVJFSA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915244 207274237 /nfs/dbraw/zinc/27/42/37/207274237.db2.gz NHJFHSQOBHIQIU-JBACZVJFSA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915244 207274241 /nfs/dbraw/zinc/27/42/41/207274241.db2.gz NHJFHSQOBHIQIU-JBACZVJFSA-N 2 1 348.531 3.005 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(N2CCOCC2)c1 ZINC000268705059 252156484 /nfs/dbraw/zinc/15/64/84/252156484.db2.gz BLXSBJTUYXIWLK-RBUKOAKNSA-N 2 1 345.531 3.438 20 0 EGADMP CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000268793186 252244162 /nfs/dbraw/zinc/24/41/62/252244162.db2.gz DWRRLWTUOVRDSI-SFHVURJKSA-N 2 1 343.515 3.299 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000268838725 252287765 /nfs/dbraw/zinc/28/77/65/252287765.db2.gz BVWFPIMIFINUIA-QIJUGHKUSA-N 2 1 338.495 3.233 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000268838725 252287770 /nfs/dbraw/zinc/28/77/70/252287770.db2.gz BVWFPIMIFINUIA-QIJUGHKUSA-N 2 1 338.495 3.233 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)[C@@H](C)C1 ZINC000268861262 252310796 /nfs/dbraw/zinc/31/07/96/252310796.db2.gz ZBZOXLIURKENGI-DZGCQCFKSA-N 2 1 344.425 3.222 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)cc1)C(C)C ZINC000361080434 285098574 /nfs/dbraw/zinc/09/85/74/285098574.db2.gz NYOIEWDXEGXXPG-PMACEKPBSA-N 2 1 343.515 3.035 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc2c(cccc2F)[nH]1 ZINC000349081801 285281809 /nfs/dbraw/zinc/28/18/09/285281809.db2.gz WETCFHHMTBLJLX-KRWDZBQOSA-N 2 1 346.494 3.155 20 0 EGADMP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181630388 533287004 /nfs/dbraw/zinc/28/70/04/533287004.db2.gz JYHBWHPRFPVYEP-APWZRJJASA-N 2 1 343.515 3.131 20 0 EGADMP C[C@@H](CC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000237442832 141002517 /nfs/dbraw/zinc/00/25/17/141002517.db2.gz UHSWOKBPYSUVAI-ROUUACIJSA-N 2 1 345.531 3.039 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000237575412 141008752 /nfs/dbraw/zinc/00/87/52/141008752.db2.gz YAZYIQNDWAFBCD-UZLBHIALSA-N 2 1 343.471 3.175 20 0 EGADMP C[C@@H](C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000338047348 141081081 /nfs/dbraw/zinc/08/10/81/141081081.db2.gz HEIXFVZMZIZRSC-NQSUBMFWSA-N 2 1 335.536 3.112 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[NH+](CC)C2)cc1 ZINC000338069180 141087324 /nfs/dbraw/zinc/08/73/24/141087324.db2.gz LASFBOVMXDVJEE-IBGZPJMESA-N 2 1 345.531 3.380 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000338069180 141087325 /nfs/dbraw/zinc/08/73/25/141087325.db2.gz LASFBOVMXDVJEE-IBGZPJMESA-N 2 1 345.531 3.380 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)cc1 ZINC000338069180 141087326 /nfs/dbraw/zinc/08/73/26/141087326.db2.gz LASFBOVMXDVJEE-IBGZPJMESA-N 2 1 345.531 3.380 20 0 EGADMP C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347971599 141226401 /nfs/dbraw/zinc/22/64/01/141226401.db2.gz XYUFCUMNRNHOHF-SXLOBPIMSA-N 2 1 341.499 3.383 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@@H](C)[C@H]2C)cc1)C(C)C ZINC000356848065 141353905 /nfs/dbraw/zinc/35/39/05/141353905.db2.gz KNBHSJDBJZPLFK-DLBZAZTESA-N 2 1 331.504 3.082 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1)C(C)C ZINC000356848065 141353907 /nfs/dbraw/zinc/35/39/07/141353907.db2.gz KNBHSJDBJZPLFK-DLBZAZTESA-N 2 1 331.504 3.082 20 0 EGADMP CCOc1ccc(OCC[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000171502774 144005476 /nfs/dbraw/zinc/00/54/76/144005476.db2.gz JWGKYHMDWRQZBW-UHFFFAOYSA-N 2 1 343.471 3.152 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)CC[N@H+]1C ZINC000344686442 144209992 /nfs/dbraw/zinc/20/99/92/144209992.db2.gz RRHNEGWHFVEPJI-WMZOPIPTSA-N 2 1 325.456 3.233 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCOc3cccc(C(F)(F)F)c3)C[C@H]12 ZINC000351495023 144269499 /nfs/dbraw/zinc/26/94/99/144269499.db2.gz OTAPXTSCQFRSEI-UHOFOFEASA-N 2 1 328.378 3.143 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(c1ccccc1)c1ccccc1 ZINC000351578442 144283274 /nfs/dbraw/zinc/28/32/74/144283274.db2.gz HKSFTESCINORMW-LAUBAEHRSA-N 2 1 338.495 3.252 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(c1ccccc1)c1ccccc1 ZINC000351578442 144283275 /nfs/dbraw/zinc/28/32/75/144283275.db2.gz HKSFTESCINORMW-LAUBAEHRSA-N 2 1 338.495 3.252 20 0 EGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363925558 144376644 /nfs/dbraw/zinc/37/66/44/144376644.db2.gz UGLFORZXBBHECO-XOKHGSTOSA-N 2 1 335.879 3.274 20 0 EGADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)NC1CCC(C)CC1 ZINC000116395887 152058532 /nfs/dbraw/zinc/05/85/32/152058532.db2.gz MNONECKEQZIAKO-MNAZLIDISA-N 2 1 325.541 3.026 20 0 EGADMP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000121431198 152350937 /nfs/dbraw/zinc/35/09/37/152350937.db2.gz SRWZEIJXSZGEHK-DNVCBOLYSA-N 2 1 333.451 3.204 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCSCC1 ZINC000191831797 153223484 /nfs/dbraw/zinc/22/34/84/153223484.db2.gz WTLRVJLMMGJCKW-YLJYHZDGSA-N 2 1 348.556 3.399 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCSCC1 ZINC000191831797 153223490 /nfs/dbraw/zinc/22/34/90/153223490.db2.gz WTLRVJLMMGJCKW-YLJYHZDGSA-N 2 1 348.556 3.399 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCSCC1 ZINC000191831819 153223611 /nfs/dbraw/zinc/22/36/11/153223611.db2.gz WTLRVJLMMGJCKW-XLIONFOSSA-N 2 1 348.556 3.399 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCSCC1 ZINC000191831819 153223618 /nfs/dbraw/zinc/22/36/18/153223618.db2.gz WTLRVJLMMGJCKW-XLIONFOSSA-N 2 1 348.556 3.399 20 0 EGADMP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C(C)(C)C)n1 ZINC000192918551 153265944 /nfs/dbraw/zinc/26/59/44/153265944.db2.gz WBWRBCAWFPPMRH-SFHVURJKSA-N 2 1 340.515 3.329 20 0 EGADMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C(C)(C)C)n1 ZINC000192918551 153265946 /nfs/dbraw/zinc/26/59/46/153265946.db2.gz WBWRBCAWFPPMRH-SFHVURJKSA-N 2 1 340.515 3.329 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCOC(F)F)CC2)cc1 ZINC000194034367 153318547 /nfs/dbraw/zinc/31/85/47/153318547.db2.gz PNAZLKPNQYLIKT-UHFFFAOYSA-N 2 1 330.394 3.052 20 0 EGADMP CCc1noc(C)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336785619 154211076 /nfs/dbraw/zinc/21/10/76/154211076.db2.gz ABWUKEWOEZMHJT-OALUTQOASA-N 2 1 339.483 3.499 20 0 EGADMP CCc1noc(C)c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336785619 154211081 /nfs/dbraw/zinc/21/10/81/154211081.db2.gz ABWUKEWOEZMHJT-OALUTQOASA-N 2 1 339.483 3.499 20 0 EGADMP CCc1noc(C)c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336785619 154211085 /nfs/dbraw/zinc/21/10/85/154211085.db2.gz ABWUKEWOEZMHJT-OALUTQOASA-N 2 1 339.483 3.499 20 0 EGADMP CCc1noc(C)c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336785619 154211089 /nfs/dbraw/zinc/21/10/89/154211089.db2.gz ABWUKEWOEZMHJT-OALUTQOASA-N 2 1 339.483 3.499 20 0 EGADMP CCc1noc(C)c1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336785618 154211439 /nfs/dbraw/zinc/21/14/39/154211439.db2.gz ABWUKEWOEZMHJT-MOPGFXCFSA-N 2 1 339.483 3.499 20 0 EGADMP CCc1noc(C)c1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336785618 154211444 /nfs/dbraw/zinc/21/14/44/154211444.db2.gz ABWUKEWOEZMHJT-MOPGFXCFSA-N 2 1 339.483 3.499 20 0 EGADMP CCc1noc(C)c1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336785618 154211450 /nfs/dbraw/zinc/21/14/50/154211450.db2.gz ABWUKEWOEZMHJT-MOPGFXCFSA-N 2 1 339.483 3.499 20 0 EGADMP CCc1noc(C)c1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336785618 154211453 /nfs/dbraw/zinc/21/14/53/154211453.db2.gz ABWUKEWOEZMHJT-MOPGFXCFSA-N 2 1 339.483 3.499 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000336878126 154227560 /nfs/dbraw/zinc/22/75/60/154227560.db2.gz BLMDYYYLSJZGLR-UHFFFAOYSA-N 2 1 327.472 3.305 20 0 EGADMP COc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346820480 156150308 /nfs/dbraw/zinc/15/03/08/156150308.db2.gz HUYDEOYAEGQKPA-GLQYFDAESA-N 2 1 339.277 3.017 20 0 EGADMP COc1cc(Br)ccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346820480 156150313 /nfs/dbraw/zinc/15/03/13/156150313.db2.gz HUYDEOYAEGQKPA-GLQYFDAESA-N 2 1 339.277 3.017 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C[C@H]12 ZINC000346828917 156155558 /nfs/dbraw/zinc/15/55/58/156155558.db2.gz NQUGMRQRMIUMHF-NZSAHSFTSA-N 2 1 332.451 3.195 20 0 EGADMP CSc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346847502 156162081 /nfs/dbraw/zinc/16/20/81/156162081.db2.gz PCPMBTZCFIFCOR-LEWSCRJBSA-N 2 1 341.318 3.340 20 0 EGADMP CSc1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346847502 156162085 /nfs/dbraw/zinc/16/20/85/156162085.db2.gz PCPMBTZCFIFCOR-LEWSCRJBSA-N 2 1 341.318 3.340 20 0 EGADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000346967417 156220078 /nfs/dbraw/zinc/22/00/78/156220078.db2.gz DSCBBUQVUGONTL-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000346967417 156220081 /nfs/dbraw/zinc/22/00/81/156220081.db2.gz DSCBBUQVUGONTL-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000346967417 156220086 /nfs/dbraw/zinc/22/00/86/156220086.db2.gz DSCBBUQVUGONTL-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000346967417 156220088 /nfs/dbraw/zinc/22/00/88/156220088.db2.gz DSCBBUQVUGONTL-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C12CCCC2 ZINC000181851597 286537745 /nfs/dbraw/zinc/53/77/45/286537745.db2.gz KGKHDVUWTMCWRF-OALUTQOASA-N 2 1 338.536 3.203 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347036780 156259297 /nfs/dbraw/zinc/25/92/97/156259297.db2.gz HFNRCWGANFYIDS-QRWLVFNGSA-N 2 1 326.488 3.026 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347036780 156259303 /nfs/dbraw/zinc/25/93/03/156259303.db2.gz HFNRCWGANFYIDS-QRWLVFNGSA-N 2 1 326.488 3.026 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(Br)cn3)C2)CC1 ZINC000349135244 156363244 /nfs/dbraw/zinc/36/32/44/156363244.db2.gz YCCNKTKTKADBNN-AWEZNQCLSA-N 2 1 338.293 3.008 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(Br)cn3)C2)CC1 ZINC000349135244 156363248 /nfs/dbraw/zinc/36/32/48/156363248.db2.gz YCCNKTKTKADBNN-AWEZNQCLSA-N 2 1 338.293 3.008 20 0 EGADMP CCCCCC[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365500683 157147660 /nfs/dbraw/zinc/14/76/60/157147660.db2.gz DEAIUMGBGAMLSS-IEBWSBKVSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[C@@H](C)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365500683 157147661 /nfs/dbraw/zinc/14/76/61/157147661.db2.gz DEAIUMGBGAMLSS-IEBWSBKVSA-N 2 1 337.552 3.220 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(C)nc1-c1cccs1 ZINC000093963546 162033617 /nfs/dbraw/zinc/03/36/17/162033617.db2.gz DDUDXCBJLNRUHJ-ZDUSSCGKSA-N 2 1 329.473 3.079 20 0 EGADMP CC[C@@H](CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1)[NH+]1CCCC1 ZINC000151657637 162597361 /nfs/dbraw/zinc/59/73/61/162597361.db2.gz SUAMFNPAGWLJDM-MJGOQNOKSA-N 2 1 333.520 3.152 20 0 EGADMP OC[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000248416702 163003029 /nfs/dbraw/zinc/00/30/29/163003029.db2.gz PYJITEAZPIEGKJ-UQVNRYHBSA-N 2 1 328.500 3.038 20 0 EGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338582883 163282710 /nfs/dbraw/zinc/28/27/10/163282710.db2.gz UJHSNDOBZDUONM-MSOLQXFVSA-N 2 1 343.515 3.133 20 0 EGADMP CCc1cc(NC[C@H](c2ccc(SC)cc2)[NH+](C)C)nc(C)[nH+]1 ZINC000338835363 163359372 /nfs/dbraw/zinc/35/93/72/163359372.db2.gz VWVPCKDIOSBPDG-QGZVFWFLSA-N 2 1 330.501 3.206 20 0 EGADMP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(-c2ccnn2C)c1 ZINC000338945040 163397757 /nfs/dbraw/zinc/39/77/57/163397757.db2.gz KQAIJGAQPCZKLP-UHFFFAOYSA-N 2 1 326.488 3.169 20 0 EGADMP CCOc1ccccc1[C@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343945640 164071586 /nfs/dbraw/zinc/07/15/86/164071586.db2.gz WKSDOIRPUBINPG-INIZCTEOSA-N 2 1 343.471 3.272 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C3(CCO)CCCCC3)sc2C1 ZINC000344105433 164104337 /nfs/dbraw/zinc/10/43/37/164104337.db2.gz PMHWLQBKBXSCFT-UHFFFAOYSA-N 2 1 337.533 3.085 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C3(CCO)CCCCC3)sc2C1 ZINC000344105433 164104339 /nfs/dbraw/zinc/10/43/39/164104339.db2.gz PMHWLQBKBXSCFT-UHFFFAOYSA-N 2 1 337.533 3.085 20 0 EGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H](CC2CCC2)c2ccccc2)C1 ZINC000344173923 164119577 /nfs/dbraw/zinc/11/95/77/164119577.db2.gz PTUXMVGDHSUIDF-WOJBJXKFSA-N 2 1 343.515 3.095 20 0 EGADMP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000344250244 164137830 /nfs/dbraw/zinc/13/78/30/164137830.db2.gz HWBRQRAGDTWDSO-WMZOPIPTSA-N 2 1 334.508 3.147 20 0 EGADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000344274419 164143260 /nfs/dbraw/zinc/14/32/60/164143260.db2.gz BJFLLTJFBVWXKV-SXLOBPIMSA-N 2 1 330.516 3.426 20 0 EGADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000344274419 164143262 /nfs/dbraw/zinc/14/32/62/164143262.db2.gz BJFLLTJFBVWXKV-SXLOBPIMSA-N 2 1 330.516 3.426 20 0 EGADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCO[C@H](C(C)C)C3)CCCC2)CC1 ZINC000346127135 164344221 /nfs/dbraw/zinc/34/42/21/164344221.db2.gz CCPZOPHWOATXPN-HKUYNNGSSA-N 2 1 338.536 3.203 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000350200895 165018435 /nfs/dbraw/zinc/01/84/35/165018435.db2.gz CPJBBVYWVOYLIL-GOSISDBHSA-N 2 1 343.471 3.274 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000352189097 165274346 /nfs/dbraw/zinc/27/43/46/165274346.db2.gz BYQBLBVZZRRGQO-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000352189097 165274348 /nfs/dbraw/zinc/27/43/48/165274348.db2.gz BYQBLBVZZRRGQO-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CC(C)Oc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000355203930 166132621 /nfs/dbraw/zinc/13/26/21/166132621.db2.gz GDDLRSYIZHLAHW-MISYRCLQSA-N 2 1 332.488 3.157 20 0 EGADMP CC(C)Oc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000355203930 166132623 /nfs/dbraw/zinc/13/26/23/166132623.db2.gz GDDLRSYIZHLAHW-MISYRCLQSA-N 2 1 332.488 3.157 20 0 EGADMP COc1ccccc1C[N@@H+](CCC1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000359195396 167092563 /nfs/dbraw/zinc/09/25/63/167092563.db2.gz SKBCKMXLWGBLLY-LJQANCHMSA-N 2 1 332.488 3.066 20 0 EGADMP C[N@@H+](CCC1CC[NH2+]CC1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000359197900 167093105 /nfs/dbraw/zinc/09/31/05/167093105.db2.gz VSOLZCGPEAESCO-UHFFFAOYSA-N 2 1 344.286 3.253 20 0 EGADMP CC[C@H](C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)[NH+](CC)CC ZINC000359681326 167207854 /nfs/dbraw/zinc/20/78/54/167207854.db2.gz TWMJYHDRIHPFPX-GOSISDBHSA-N 2 1 333.520 3.134 20 0 EGADMP CCCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363136449 167889120 /nfs/dbraw/zinc/88/91/20/167889120.db2.gz IRQBENNNQMYAGP-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1c[nH+]ccc1N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000366829626 168146344 /nfs/dbraw/zinc/14/63/44/168146344.db2.gz QXFVXLIQACLOSZ-UHFFFAOYSA-N 3 1 330.520 3.023 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(F)c1 ZINC000366873420 168151292 /nfs/dbraw/zinc/15/12/92/168151292.db2.gz ZDBLLDKXNNGIIF-INIZCTEOSA-N 2 1 347.478 3.269 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(F)c1 ZINC000366873420 168151293 /nfs/dbraw/zinc/15/12/93/168151293.db2.gz ZDBLLDKXNNGIIF-INIZCTEOSA-N 2 1 347.478 3.269 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000366909667 168154944 /nfs/dbraw/zinc/15/49/44/168154944.db2.gz REJKRUFLZMEVEV-OZOXKJRCSA-N 2 1 342.458 3.359 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3c(Cl)nc4ccccn43)C2)CC1 ZINC000366956435 168161389 /nfs/dbraw/zinc/16/13/89/168161389.db2.gz TYMJGKUBBYOTDD-UHFFFAOYSA-N 2 1 332.879 3.296 20 0 EGADMP COc1c(C)cc([C@H](C)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000367589672 168245286 /nfs/dbraw/zinc/24/52/86/168245286.db2.gz QFQIFZRKRNSBPF-NUEKZKHPSA-N 2 1 338.879 3.171 20 0 EGADMP COc1c(C)cc([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)cc1Cl ZINC000367589672 168245287 /nfs/dbraw/zinc/24/52/87/168245287.db2.gz QFQIFZRKRNSBPF-NUEKZKHPSA-N 2 1 338.879 3.171 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000367765422 168267457 /nfs/dbraw/zinc/26/74/57/168267457.db2.gz MXCYPWATJNAVTM-RDJZCZTQSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC[N@H+]1C ZINC000123406919 222272601 /nfs/dbraw/zinc/27/26/01/222272601.db2.gz LNKPSNUFJLEIOI-NXHRZFHOSA-N 2 1 347.503 3.325 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000177354563 265249113 /nfs/dbraw/zinc/24/91/13/265249113.db2.gz KBRGWBJALUQWQW-MAUKXSAKSA-N 2 1 349.906 3.109 20 0 EGADMP OC1CC[NH+](Cc2ccccc2CNc2cc[nH+]cc2Cl)CC1 ZINC000269395819 266286585 /nfs/dbraw/zinc/28/65/85/266286585.db2.gz YEAXZTFHYSLOBM-UHFFFAOYSA-N 2 1 331.847 3.304 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000269680683 266339040 /nfs/dbraw/zinc/33/90/40/266339040.db2.gz DRTIEGJFBCPSRB-FQEVSTJZSA-N 2 1 327.472 3.344 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000269680683 266339044 /nfs/dbraw/zinc/33/90/44/266339044.db2.gz DRTIEGJFBCPSRB-FQEVSTJZSA-N 2 1 327.472 3.344 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000273258159 267007925 /nfs/dbraw/zinc/00/79/25/267007925.db2.gz SOYUUIAXHRNVAF-ZDUSSCGKSA-N 2 1 346.450 3.103 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc2nsnc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273302691 267017214 /nfs/dbraw/zinc/01/72/14/267017214.db2.gz RPIAWQLRAPMZDJ-UKRRQHHQSA-N 2 1 330.501 3.434 20 0 EGADMP Cc1noc(CCC[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000274070548 267174713 /nfs/dbraw/zinc/17/47/13/267174713.db2.gz REYHQZBXQQCLMQ-IGOJGBNBSA-N 2 1 342.487 3.057 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274919815 267306694 /nfs/dbraw/zinc/30/66/94/267306694.db2.gz LCZGOXBSLBJECS-ZHALLVOQSA-N 2 1 345.531 3.180 20 0 EGADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1cc[nH+]cc1Cl ZINC000278410083 268007209 /nfs/dbraw/zinc/00/72/09/268007209.db2.gz NSNMBHFEANEECD-INIZCTEOSA-N 2 1 331.847 3.304 20 0 EGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNc1cc[nH+]cc1Cl ZINC000278410083 268007211 /nfs/dbraw/zinc/00/72/11/268007211.db2.gz NSNMBHFEANEECD-INIZCTEOSA-N 2 1 331.847 3.304 20 0 EGADMP CC[NH+]1CCC([N@H+](C)CCOc2cccc(Br)c2)CC1 ZINC000042681375 275126860 /nfs/dbraw/zinc/12/68/60/275126860.db2.gz WTPWHQCIZMEYRX-UHFFFAOYSA-N 2 1 341.293 3.244 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)CCOc2cccc(Br)c2)CC1 ZINC000042681375 275126861 /nfs/dbraw/zinc/12/68/61/275126861.db2.gz WTPWHQCIZMEYRX-UHFFFAOYSA-N 2 1 341.293 3.244 20 0 EGADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183141139 275210508 /nfs/dbraw/zinc/21/05/08/275210508.db2.gz IOIZHIZSTWXCDS-UWHLTILDSA-N 2 1 330.516 3.284 20 0 EGADMP CC[C@@H](C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)[NH+](CC)CC ZINC000265577180 275234366 /nfs/dbraw/zinc/23/43/66/275234366.db2.gz UNRORZDIXCUIOG-APWZRJJASA-N 2 1 347.503 3.139 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1Cl ZINC000271889199 275238812 /nfs/dbraw/zinc/23/88/12/275238812.db2.gz RNGJDNDWPKPDEW-AWEZNQCLSA-N 2 1 335.879 3.217 20 0 EGADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278734739 275270030 /nfs/dbraw/zinc/27/00/30/275270030.db2.gz WLCKQUSAWBCTNF-IEBWSBKVSA-N 2 1 332.488 3.299 20 0 EGADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000284400338 275797833 /nfs/dbraw/zinc/79/78/33/275797833.db2.gz PPUZOBCCQAKTEX-ILRDRHFLSA-N 2 1 325.456 3.236 20 0 EGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000285447824 275877048 /nfs/dbraw/zinc/87/70/48/275877048.db2.gz ZJBLHKAYHKCWJL-MSOLQXFVSA-N 2 1 347.503 3.360 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000349087338 276006867 /nfs/dbraw/zinc/00/68/67/276006867.db2.gz GRXBKOISZPPMFZ-LJQANCHMSA-N 2 1 331.504 3.019 20 0 EGADMP CC[NH+](CC)CC(=O)Nc1cccc(N[C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000286954838 276062479 /nfs/dbraw/zinc/06/24/79/276062479.db2.gz HPINYDPGHUAFBX-APWZRJJASA-N 2 1 346.519 3.109 20 0 EGADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000287259728 276101984 /nfs/dbraw/zinc/10/19/84/276101984.db2.gz CAFCRKDNNGIAKG-LELZANKISA-N 2 1 328.500 3.159 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nc1C(F)F ZINC000348300749 276105649 /nfs/dbraw/zinc/10/56/49/276105649.db2.gz CKKONSZQVULJJD-DZGCQCFKSA-N 2 1 328.451 3.348 20 0 EGADMP COc1cc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c(F)cn1 ZINC000287902435 276168143 /nfs/dbraw/zinc/16/81/43/276168143.db2.gz ZRWHGBGYTXSBEX-AWEZNQCLSA-N 2 1 347.434 3.021 20 0 EGADMP COc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1O ZINC000288473140 276217804 /nfs/dbraw/zinc/21/78/04/276217804.db2.gz PDNJDTFNWYCKNZ-MAUKXSAKSA-N 2 1 326.440 3.153 20 0 EGADMP CC[N@H+]1C[C@H](NCc2ccc(C[NH+]3CCC(C)CC3)cc2)[C@@H](C)C1 ZINC000343256734 276253212 /nfs/dbraw/zinc/25/32/12/276253212.db2.gz PXAYVWRVNNNWGM-RXVVDRJESA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@@H+]1C[C@H](NCc2ccc(C[NH+]3CCC(C)CC3)cc2)[C@@H](C)C1 ZINC000343256734 276253214 /nfs/dbraw/zinc/25/32/14/276253214.db2.gz PXAYVWRVNNNWGM-RXVVDRJESA-N 2 1 329.532 3.348 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCCCO1 ZINC000291203573 276606343 /nfs/dbraw/zinc/60/63/43/276606343.db2.gz QKFCCBJSZOBRNS-OXJNMPFZSA-N 2 1 334.479 3.380 20 0 EGADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000344003109 276792956 /nfs/dbraw/zinc/79/29/56/276792956.db2.gz XTRLTSRYBSMERK-QGZVFWFLSA-N 2 1 343.471 3.418 20 0 EGADMP CC(C)(C)[C@@H](NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1cccs1 ZINC000358503850 277225039 /nfs/dbraw/zinc/22/50/39/277225039.db2.gz HBFJPJXKXVNWNJ-KRWDZBQOSA-N 2 1 349.544 3.027 20 0 EGADMP CCC(CC)[C@H](CNCc1ncc(C[NH+](C)C)s1)[NH+]1CCCC1 ZINC000352778103 278609652 /nfs/dbraw/zinc/60/96/52/278609652.db2.gz FPTNDGGNWJWQRM-KRWDZBQOSA-N 2 1 338.565 3.195 20 0 EGADMP C[C@H](C(=O)N[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000343775031 279234549 /nfs/dbraw/zinc/23/45/49/279234549.db2.gz TZGYFJKHVOGKGD-LYYGHALDSA-N 2 1 343.515 3.027 20 0 EGADMP C[C@H](C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000343775031 279234551 /nfs/dbraw/zinc/23/45/51/279234551.db2.gz TZGYFJKHVOGKGD-LYYGHALDSA-N 2 1 343.515 3.027 20 0 EGADMP C[C@H](C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000343775031 279234552 /nfs/dbraw/zinc/23/45/52/279234552.db2.gz TZGYFJKHVOGKGD-LYYGHALDSA-N 2 1 343.515 3.027 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000354266104 279278126 /nfs/dbraw/zinc/27/81/26/279278126.db2.gz MPNIIGATFJBCLP-VQTJNVASSA-N 2 1 343.515 3.123 20 0 EGADMP Cc1ccc2[nH+]ccc(N3CC[N@H+](C4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000354575361 281169792 /nfs/dbraw/zinc/16/97/92/281169792.db2.gz MBYVDKXUVAEHRU-QGZVFWFLSA-N 2 1 338.499 3.148 20 0 EGADMP Cc1ccc2[nH+]ccc(N3CC[N@@H+](C4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000354575361 281169794 /nfs/dbraw/zinc/16/97/94/281169794.db2.gz MBYVDKXUVAEHRU-QGZVFWFLSA-N 2 1 338.499 3.148 20 0 EGADMP CN(CCC[N@@H+](C)CC1CCC(C(F)(F)F)CC1)CC[NH+](C)C ZINC000344047060 289132300 /nfs/dbraw/zinc/13/23/00/289132300.db2.gz YFDBKWNSRPYOGP-UHFFFAOYSA-N 2 1 337.474 3.170 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261679377 290393076 /nfs/dbraw/zinc/39/30/76/290393076.db2.gz GQTATEGDXKNVEL-SQGPQFPESA-N 2 1 343.515 3.052 20 0 EGADMP Cc1[nH+]c2ccccc2c(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1C ZINC000343247250 293475275 /nfs/dbraw/zinc/47/52/75/293475275.db2.gz GRCQUYALKNKNFZ-YOEHRIQHSA-N 2 1 325.456 3.151 20 0 EGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@H](C)O1 ZINC000414271690 309069843 /nfs/dbraw/zinc/06/98/43/309069843.db2.gz XEFJCGYZJRTYFB-UYPUKZBLSA-N 2 1 328.500 3.300 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1ccncc1 ZINC000414259982 309069195 /nfs/dbraw/zinc/06/91/95/309069195.db2.gz HAKAQUPMJKNTRE-DUXKGJEZSA-N 2 1 339.483 3.269 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1ccncc1 ZINC000414259982 309069196 /nfs/dbraw/zinc/06/91/96/309069196.db2.gz HAKAQUPMJKNTRE-DUXKGJEZSA-N 2 1 339.483 3.269 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccnc2)[C@@H](C)C1 ZINC000414329818 309073350 /nfs/dbraw/zinc/07/33/50/309073350.db2.gz IQQUMUIXUPYRPV-PKOBYXMFSA-N 2 1 333.520 3.086 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000414373799 309076232 /nfs/dbraw/zinc/07/62/32/309076232.db2.gz ZXGZJOFGDIWRGT-ZWKOTPCHSA-N 2 1 330.451 3.282 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000248510516 308004676 /nfs/dbraw/zinc/00/46/76/308004676.db2.gz ZYIICLLUULLJLW-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000248896603 308014582 /nfs/dbraw/zinc/01/45/82/308014582.db2.gz LSUNMEBIRRUANY-IEBWSBKVSA-N 2 1 346.515 3.276 20 0 EGADMP COC(=O)[C@@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000248896603 308014583 /nfs/dbraw/zinc/01/45/83/308014583.db2.gz LSUNMEBIRRUANY-IEBWSBKVSA-N 2 1 346.515 3.276 20 0 EGADMP COC(=O)[C@@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000248896603 308014584 /nfs/dbraw/zinc/01/45/84/308014584.db2.gz LSUNMEBIRRUANY-IEBWSBKVSA-N 2 1 346.515 3.276 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)c1 ZINC000292897047 308077448 /nfs/dbraw/zinc/07/74/48/308077448.db2.gz GFZAONNFTQNZHV-YLJYHZDGSA-N 2 1 329.488 3.048 20 0 EGADMP COC1(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCC1 ZINC000293133361 308102186 /nfs/dbraw/zinc/10/21/86/308102186.db2.gz ZYANZEQWNPIHAB-UHFFFAOYSA-N 2 1 334.479 3.381 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)C1 ZINC000293799047 308162725 /nfs/dbraw/zinc/16/27/25/308162725.db2.gz RCWLUBSAZQDTOU-IAGOWNOFSA-N 2 1 345.487 3.416 20 0 EGADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294690085 308246132 /nfs/dbraw/zinc/24/61/32/308246132.db2.gz AMJONOWPTLZEOS-OOKSDGMUSA-N 2 1 332.488 3.240 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1OC ZINC000294910147 308270456 /nfs/dbraw/zinc/27/04/56/308270456.db2.gz DXEAUIQHBLPAJJ-DXJOGWAWSA-N 2 1 332.488 3.158 20 0 EGADMP C[N@@H+](CCN1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Cc1ccccc1 ZINC000295009643 308281287 /nfs/dbraw/zinc/28/12/87/308281287.db2.gz SJCBHLUPXWVEMY-FPOVZHCZSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+](CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Cc1ccccc1 ZINC000295009643 308281289 /nfs/dbraw/zinc/28/12/89/308281289.db2.gz SJCBHLUPXWVEMY-FPOVZHCZSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+](CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Cc1ccccc1 ZINC000295009643 308281291 /nfs/dbraw/zinc/28/12/91/308281291.db2.gz SJCBHLUPXWVEMY-FPOVZHCZSA-N 2 1 327.516 3.067 20 0 EGADMP CC(C)C[C@H](C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000295356914 308318136 /nfs/dbraw/zinc/31/81/36/308318136.db2.gz RETZUJNVZFCMER-FPOVZHCZSA-N 2 1 329.532 3.313 20 0 EGADMP COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000296012295 308384323 /nfs/dbraw/zinc/38/43/23/308384323.db2.gz OWVPXEPQTQROFB-KRWDZBQOSA-N 2 1 343.471 3.493 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414656843 309093967 /nfs/dbraw/zinc/09/39/67/309093967.db2.gz GHGXFZLFJYELIA-JKSUJKDBSA-N 2 1 339.487 3.229 20 0 EGADMP CC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)c1cc2ccccc2o1 ZINC000414695404 309095840 /nfs/dbraw/zinc/09/58/40/309095840.db2.gz UPYAZCWUTYIOBN-JKSUJKDBSA-N 2 1 343.471 3.013 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)CC[NH2+]1 ZINC000414709380 309096667 /nfs/dbraw/zinc/09/66/67/309096667.db2.gz JWBYFZONYRSEIC-KEYYUXOJSA-N 2 1 342.405 3.467 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1OCc1ccccc1 ZINC000414664382 309094330 /nfs/dbraw/zinc/09/43/30/309094330.db2.gz SSOJTYZOQPSFIJ-QFBILLFUSA-N 2 1 340.467 3.443 20 0 EGADMP Clc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414772984 309099996 /nfs/dbraw/zinc/09/99/96/309099996.db2.gz WASQVXKFQVLFAF-GASCZTMLSA-N 2 1 330.863 3.162 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc(F)cc2Br)CC[NH2+]1 ZINC000414756004 309098928 /nfs/dbraw/zinc/09/89/28/309098928.db2.gz IPNQISMUOMZLSU-VXGBXAGGSA-N 2 1 329.257 3.408 20 0 EGADMP c1nc2ccccc2n1-c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414770879 309099798 /nfs/dbraw/zinc/09/97/98/309099798.db2.gz PRQRRRFXUVYKRC-KDURUIRLSA-N 2 1 346.478 3.457 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(Cl)c2Cl)CC12CCOCC2 ZINC000414774364 309100099 /nfs/dbraw/zinc/10/00/99/309100099.db2.gz AZYQOAURPMAPRG-ZDUSSCGKSA-N 2 1 329.271 3.181 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)CC12CCOCC2 ZINC000414774364 309100100 /nfs/dbraw/zinc/10/01/00/309100100.db2.gz AZYQOAURPMAPRG-ZDUSSCGKSA-N 2 1 329.271 3.181 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c2ccccc12 ZINC000414777567 309100303 /nfs/dbraw/zinc/10/03/03/309100303.db2.gz FXQBLZASOUTHHY-KRWDZBQOSA-N 2 1 340.467 3.036 20 0 EGADMP c1c(C[NH2+]C2CC[NH2+]CC2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000414784342 309101025 /nfs/dbraw/zinc/10/10/25/309101025.db2.gz HIPLRRFXJWBDAM-UHFFFAOYSA-N 2 1 332.451 3.381 20 0 EGADMP Brc1csc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414785262 309101229 /nfs/dbraw/zinc/10/12/29/309101229.db2.gz SGBLJZGYPKACRI-NWDGAFQWSA-N 2 1 329.307 3.332 20 0 EGADMP Cc1ccc(-n2cc(C[NH2+]C3CC[NH2+]CC3)c(C(C)(C)C)n2)cc1 ZINC000414789080 309101436 /nfs/dbraw/zinc/10/14/36/309101436.db2.gz NSJRNFLPDKWCSY-UHFFFAOYSA-N 2 1 326.488 3.320 20 0 EGADMP CCOCc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414789209 309101541 /nfs/dbraw/zinc/10/15/41/309101541.db2.gz XZLMQOSKSWMKFZ-ZWKOTPCHSA-N 2 1 332.488 3.053 20 0 EGADMP CC(C)([NH3+])C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414800807 309102325 /nfs/dbraw/zinc/10/23/25/309102325.db2.gz ISFPTHPNRMUBAH-UHFFFAOYSA-N 2 1 341.171 3.175 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)[C@@H]1SC ZINC000298475428 308617727 /nfs/dbraw/zinc/61/77/27/308617727.db2.gz PCNJYLDWZZESNE-ZCNNSNEGSA-N 2 1 348.556 3.458 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000414814873 309103334 /nfs/dbraw/zinc/10/33/34/309103334.db2.gz OLBVDHJPMCFWJD-TZMCWYRMSA-N 2 1 341.883 3.173 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414814539 309103399 /nfs/dbraw/zinc/10/33/99/309103399.db2.gz NYRWDTVCLFUZEH-YOEHRIQHSA-N 2 1 339.911 3.184 20 0 EGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1Cl ZINC000414832969 309104410 /nfs/dbraw/zinc/10/44/10/309104410.db2.gz FKVBRFWSZHWKPX-HIFRSBDPSA-N 2 1 325.884 3.329 20 0 EGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414834660 309104622 /nfs/dbraw/zinc/10/46/22/309104622.db2.gz GUGHPVZVDZBWMN-ZBFHGGJFSA-N 2 1 339.911 3.040 20 0 EGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)C1CCCCC1 ZINC000414838348 309104762 /nfs/dbraw/zinc/10/47/62/309104762.db2.gz KKXGYUNUZPDSOI-WOJBJXKFSA-N 2 1 332.488 3.242 20 0 EGADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414838320 309104776 /nfs/dbraw/zinc/10/47/76/309104776.db2.gz KHCCQIDTCHHJKL-TZMCWYRMSA-N 2 1 341.883 3.029 20 0 EGADMP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000305132715 308758558 /nfs/dbraw/zinc/75/85/58/308758558.db2.gz KPVBZVWMCSIAKH-HOTGVXAUSA-N 2 1 337.508 3.039 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@@]3(C)CCCO3)CC2)oc1C ZINC000331579977 308811081 /nfs/dbraw/zinc/81/10/81/308811081.db2.gz RZXOHOLZRQBAAW-QFBILLFUSA-N 2 1 335.492 3.051 20 0 EGADMP Cc1nc(COc2ccc(C[NH2+][C@H](C[NH3+])CC(C)C)cc2)cs1 ZINC000414856402 309106064 /nfs/dbraw/zinc/10/60/64/309106064.db2.gz YWHLPUDOBRHUOI-INIZCTEOSA-N 2 1 333.501 3.494 20 0 EGADMP CCOc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1OCc1ccccc1 ZINC000414889192 309107483 /nfs/dbraw/zinc/10/74/83/309107483.db2.gz LAWMXEDZPODGSN-IBGZPJMESA-N 2 1 340.467 3.491 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414959066 309111485 /nfs/dbraw/zinc/11/14/85/309111485.db2.gz WZTQDXHLEKEJQU-CXAGYDPISA-N 2 1 346.906 3.432 20 0 EGADMP CC(C)n1cc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000415001839 309113612 /nfs/dbraw/zinc/11/36/12/309113612.db2.gz LRJOOPKKTPWJQU-PKOBYXMFSA-N 2 1 330.451 3.086 20 0 EGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415002357 309113641 /nfs/dbraw/zinc/11/36/41/309113641.db2.gz MDCLKCICOOVTSZ-BVPXEZJJSA-N 3 1 347.522 3.419 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1OC(F)F ZINC000415057072 309117048 /nfs/dbraw/zinc/11/70/48/309117048.db2.gz TVDUWULUPLJHRJ-HUUCEWRRSA-N 2 1 340.414 3.261 20 0 EGADMP c1cc(OC[C@@H]2CCCO2)ccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415057064 309117119 /nfs/dbraw/zinc/11/71/19/309117119.db2.gz TTZHQLOCMMUJHA-GIVPXCGWSA-N 2 1 344.499 3.208 20 0 EGADMP [NH3+]C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C1CCCC1 ZINC000415063957 309117710 /nfs/dbraw/zinc/11/77/10/309117710.db2.gz JJSNHCRYSGRLIW-GOSISDBHSA-N 2 1 349.906 3.052 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c(Cl)c1 ZINC000415065043 309117886 /nfs/dbraw/zinc/11/78/86/309117886.db2.gz MBWGENUBHDHEIX-SUMWQHHRSA-N 2 1 337.895 3.473 20 0 EGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415072607 309118338 /nfs/dbraw/zinc/11/83/38/309118338.db2.gz YEDLMVQNZMFJBC-BLLLJJGKSA-N 2 1 325.294 3.487 20 0 EGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000415075130 309118454 /nfs/dbraw/zinc/11/84/54/309118454.db2.gz BBWGAPOYQRKWQR-PKOBYXMFSA-N 3 1 333.520 3.027 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000415094455 309119876 /nfs/dbraw/zinc/11/98/76/309119876.db2.gz XNODNDSMRUWMPZ-APWZRJJASA-N 2 1 349.494 3.063 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C[C@@H]1C[NH3+] ZINC000415119264 309121566 /nfs/dbraw/zinc/12/15/66/309121566.db2.gz FETAXTNQJKIFLI-WMZOPIPTSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C[C@@H]1C[NH3+] ZINC000415126840 309122304 /nfs/dbraw/zinc/12/23/04/309122304.db2.gz MLOGIUKKJCJGGX-APWZRJJASA-N 2 1 325.456 3.077 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000419337870 309264874 /nfs/dbraw/zinc/26/48/74/309264874.db2.gz YMYHHMDNTZWRAJ-ROUUACIJSA-N 2 1 337.552 3.122 20 0 EGADMP Cn1nc(CCC[N@@H+](C)CC[C@H]2CC[NH2+]C2)cc1-c1ccc(F)cc1 ZINC000420300985 309280537 /nfs/dbraw/zinc/28/05/37/309280537.db2.gz IGAYHYXUPHLGGR-MRXNPFEDSA-N 2 1 344.478 3.090 20 0 EGADMP c1csc(C[N@H+](CC[C@@H]2CCCCO2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000420303294 309280603 /nfs/dbraw/zinc/28/06/03/309280603.db2.gz CRBGSKMKLDAISR-JKSUJKDBSA-N 2 1 335.517 3.046 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420307800 309280758 /nfs/dbraw/zinc/28/07/58/309280758.db2.gz MNVKHMSOOQBFPE-LJQANCHMSA-N 2 1 342.874 3.291 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420307800 309280759 /nfs/dbraw/zinc/28/07/59/309280759.db2.gz MNVKHMSOOQBFPE-LJQANCHMSA-N 2 1 342.874 3.291 20 0 EGADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000420306856 309280829 /nfs/dbraw/zinc/28/08/29/309280829.db2.gz BCIXKCRSFMLIFW-KDOFPFPSSA-N 2 1 330.863 3.151 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420309708 309280866 /nfs/dbraw/zinc/28/08/66/309280866.db2.gz FGFHHMFZFLVDID-HOTGVXAUSA-N 2 1 342.874 3.147 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420309708 309280867 /nfs/dbraw/zinc/28/08/67/309280867.db2.gz FGFHHMFZFLVDID-HOTGVXAUSA-N 2 1 342.874 3.147 20 0 EGADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cc(Br)ccc1F ZINC000420310510 309280930 /nfs/dbraw/zinc/28/09/30/309280930.db2.gz VCPVJVVURMVBLP-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP CC(C)OC(=O)CC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420309564 309281024 /nfs/dbraw/zinc/28/10/24/309281024.db2.gz LQMNBRQEBSPOCM-INIZCTEOSA-N 2 1 336.501 3.034 20 0 EGADMP CC[NH+](CC)CCC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420321261 309282031 /nfs/dbraw/zinc/28/20/31/309282031.db2.gz ZUUQIBCGYQJPKX-SFHVURJKSA-N 3 1 335.561 3.424 20 0 EGADMP CC[NH+](CC)CCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420321261 309282032 /nfs/dbraw/zinc/28/20/32/309282032.db2.gz ZUUQIBCGYQJPKX-SFHVURJKSA-N 3 1 335.561 3.424 20 0 EGADMP c1sc(Nc2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420322744 309282157 /nfs/dbraw/zinc/28/21/57/309282157.db2.gz FFJMLFAKJOLBFN-JKSUJKDBSA-N 2 1 342.512 3.130 20 0 EGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330555 309282638 /nfs/dbraw/zinc/28/26/38/309282638.db2.gz AUSRNHVGWBZSGS-MSOLQXFVSA-N 2 1 325.456 3.472 20 0 EGADMP Clc1ccc(-n2ccc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420337776 309282951 /nfs/dbraw/zinc/28/29/51/309282951.db2.gz XAUSOSMDAQGROE-HOTGVXAUSA-N 2 1 344.890 3.347 20 0 EGADMP Fc1ccc(-c2cc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000420338395 309283172 /nfs/dbraw/zinc/28/31/72/309283172.db2.gz XXRIUGMJGIHDMY-HOTGVXAUSA-N 2 1 329.419 3.302 20 0 EGADMP C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C1(C[NH3+])CCC1 ZINC000420338889 309283270 /nfs/dbraw/zinc/28/32/70/309283270.db2.gz YGLYFHNUTQTBRH-UHFFFAOYSA-N 2 1 337.467 3.495 20 0 EGADMP C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C1(C[NH3+])CCC1 ZINC000420338889 309283271 /nfs/dbraw/zinc/28/32/71/309283271.db2.gz YGLYFHNUTQTBRH-UHFFFAOYSA-N 2 1 337.467 3.495 20 0 EGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420339451 309283311 /nfs/dbraw/zinc/28/33/11/309283311.db2.gz YZNSPUWZGGBLEZ-BBRMVZONSA-N 2 1 342.405 3.454 20 0 EGADMP [NH3+]C[C@H]([NH2+]CCCc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000420358033 309283832 /nfs/dbraw/zinc/28/38/32/309283832.db2.gz IUNYWOVQBQKXEK-KRWDZBQOSA-N 2 1 328.460 3.166 20 0 EGADMP [NH3+]C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)C1CCCCC1 ZINC000420360046 309284065 /nfs/dbraw/zinc/28/40/65/309284065.db2.gz GTIMOSOFOOBFGR-MRXNPFEDSA-N 2 1 348.878 3.430 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420373871 309285047 /nfs/dbraw/zinc/28/50/47/309285047.db2.gz GZWCEUFBLMBWMT-HLLBOEOZSA-N 2 1 325.456 3.084 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420373871 309285048 /nfs/dbraw/zinc/28/50/48/309285048.db2.gz GZWCEUFBLMBWMT-HLLBOEOZSA-N 2 1 325.456 3.084 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C[C@@H]1C[NH3+] ZINC000420397367 309286314 /nfs/dbraw/zinc/28/63/14/309286314.db2.gz FZSOBAATQZGLIL-WBVHZDCISA-N 2 1 325.456 3.085 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420400174 309286509 /nfs/dbraw/zinc/28/65/09/309286509.db2.gz IJKQCZWHCWLCPZ-QWHCGFSZSA-N 2 1 332.469 3.105 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420400174 309286510 /nfs/dbraw/zinc/28/65/10/309286510.db2.gz IJKQCZWHCWLCPZ-QWHCGFSZSA-N 2 1 332.469 3.105 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H]3CCc4ccc(F)cc43)CC2)CC1 ZINC000420975327 309305229 /nfs/dbraw/zinc/30/52/29/309305229.db2.gz FQIINDFGGDEKGC-NRFANRHFSA-N 2 1 345.506 3.305 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000420986761 309306055 /nfs/dbraw/zinc/30/60/55/309306055.db2.gz YUZRNYNIVWGMBU-KRWDZBQOSA-N 2 1 343.506 3.304 20 0 EGADMP C[NH+](C)C1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000422004850 309350613 /nfs/dbraw/zinc/35/06/13/309350613.db2.gz HKHJGRRJTBAWIB-SOAGJPPSSA-N 2 1 343.515 3.030 20 0 EGADMP C[NH+](C)CCCOc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422708890 309364015 /nfs/dbraw/zinc/36/40/15/309364015.db2.gz CHTJLPUCOSBJQC-QHAWAJNXSA-N 2 1 345.531 3.027 20 0 EGADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000422737714 309366149 /nfs/dbraw/zinc/36/61/49/309366149.db2.gz XTJVNWVZDYPHSL-MTQWCTHYSA-N 2 1 333.495 3.329 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](c1c(F)cccc1F)N(C)C ZINC000422745343 309366261 /nfs/dbraw/zinc/36/62/61/309366261.db2.gz MDJFWIIBRRUQSX-KYNGSXCRSA-N 2 1 347.453 3.116 20 0 EGADMP Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cnn1-c1ccc(F)cc1 ZINC000422778042 309367945 /nfs/dbraw/zinc/36/79/45/309367945.db2.gz GZHJXVYQFOVESX-QIXHYMPYSA-N 2 1 328.435 3.253 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422814096 309370037 /nfs/dbraw/zinc/37/00/37/309370037.db2.gz ZMVFTOGCQANODJ-PGRDOPGGSA-N 3 1 337.511 3.331 20 0 EGADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422814096 309370038 /nfs/dbraw/zinc/37/00/38/309370038.db2.gz ZMVFTOGCQANODJ-PGRDOPGGSA-N 2 1 337.511 3.331 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c(OC[C@@H]2CCCO2)c1 ZINC000422870765 309372921 /nfs/dbraw/zinc/37/29/21/309372921.db2.gz CFDJHHPORMOTPL-IPMKNSEASA-N 2 1 332.488 3.302 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1cccc(OCC[NH+](C)C)c1 ZINC000422898121 309374950 /nfs/dbraw/zinc/37/49/50/309374950.db2.gz LFKDDBMLMFCUHZ-MJGOQNOKSA-N 2 1 333.520 3.027 20 0 EGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000422903912 309375453 /nfs/dbraw/zinc/37/54/53/309375453.db2.gz PLIDGNQSHMBQRH-BEFAXECRSA-N 2 1 338.430 3.060 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000422965124 309378689 /nfs/dbraw/zinc/37/86/89/309378689.db2.gz NUFKNEKDAQYRLT-HRAATJIYSA-N 2 1 334.467 3.135 20 0 EGADMP c1cc(-c2ccccc2)oc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000422974449 309379077 /nfs/dbraw/zinc/37/90/77/309379077.db2.gz QZVRFVWTDLWEII-IPMKNSEASA-N 2 1 326.440 3.193 20 0 EGADMP C[C@@H](Cc1cc(Br)ccc1F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423009494 309380690 /nfs/dbraw/zinc/38/06/90/309380690.db2.gz CYTHPLSZMDPUSO-ZIBATOQPSA-N 2 1 329.257 3.249 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccnc1OCC(F)F ZINC000423023490 309381623 /nfs/dbraw/zinc/38/16/23/309381623.db2.gz JTQKPCAEQNEXKH-HIFRSBDPSA-N 2 1 327.419 3.126 20 0 EGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CCO2 ZINC000423053431 309383116 /nfs/dbraw/zinc/38/31/16/309383116.db2.gz SGFXIKBQKXCKND-LULLPPNCSA-N 2 1 330.472 3.419 20 0 EGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423064015 309383902 /nfs/dbraw/zinc/38/39/02/309383902.db2.gz XWLDKMIKOPINKY-BBWFWOEESA-N 2 1 342.405 3.261 20 0 EGADMP C[C@H]([NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)[C@H]1CCCC[NH2+]1 ZINC000423078720 309384737 /nfs/dbraw/zinc/38/47/37/309384737.db2.gz WNQMKBIEGTUSJL-YGWPLHOASA-N 2 1 334.479 3.020 20 0 EGADMP FC(F)(F)COc1cnccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423096136 309385730 /nfs/dbraw/zinc/38/57/30/309385730.db2.gz GXNMQDBFMZVCPL-SOUVJXGZSA-N 2 1 343.393 3.033 20 0 EGADMP COCCCOc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423098498 309385912 /nfs/dbraw/zinc/38/59/12/309385912.db2.gz CXJMVZIQFSJNSM-WOJBJXKFSA-N 2 1 326.440 3.336 20 0 EGADMP Clc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)C2)c1 ZINC000423101564 309385964 /nfs/dbraw/zinc/38/59/64/309385964.db2.gz WACCCCRLDZUHLS-SJQORLFUSA-N 2 1 334.891 3.333 20 0 EGADMP Clc1ccc(CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)s1 ZINC000423110176 309386391 /nfs/dbraw/zinc/38/63/91/309386391.db2.gz USGHXBUCUSSQRG-OAGGEKHMSA-N 2 1 342.936 3.471 20 0 EGADMP Cc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CC2)c(C)c1 ZINC000423146957 309388344 /nfs/dbraw/zinc/38/83/44/309388344.db2.gz QTDADNUCLMNEOT-RLLQIKCJSA-N 2 1 328.500 3.082 20 0 EGADMP c1ccc([C@@H]2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423159103 309388672 /nfs/dbraw/zinc/38/86/72/309388672.db2.gz OTCXVTQXRVPUDH-XDWAVFMPSA-N 2 1 328.500 3.317 20 0 EGADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423175894 309389177 /nfs/dbraw/zinc/38/91/77/309389177.db2.gz FMTOMAAMLNZGJA-AWEZNQCLSA-N 2 1 330.476 3.283 20 0 EGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423175895 309389202 /nfs/dbraw/zinc/38/92/02/309389202.db2.gz FMTOMAAMLNZGJA-CQSZACIVSA-N 2 1 330.476 3.283 20 0 EGADMP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000423182446 309389390 /nfs/dbraw/zinc/38/93/90/309389390.db2.gz KJKUNMSVJQXXCR-CQSZACIVSA-N 2 1 325.250 3.004 20 0 EGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423262854 309392953 /nfs/dbraw/zinc/39/29/53/309392953.db2.gz NMNIPMBMKZIFDB-JKSUJKDBSA-N 2 1 325.294 3.269 20 0 EGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423268945 309393301 /nfs/dbraw/zinc/39/33/01/309393301.db2.gz VJIYXHSRTZZNCU-JXFKEZNVSA-N 3 1 333.520 3.185 20 0 EGADMP C[C@H](N[C@@H](C[NH3+])C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423268945 309393302 /nfs/dbraw/zinc/39/33/02/309393302.db2.gz VJIYXHSRTZZNCU-JXFKEZNVSA-N 2 1 333.520 3.185 20 0 EGADMP CC(C)[C@H]([NH3+])CN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423284083 309394020 /nfs/dbraw/zinc/39/40/20/309394020.db2.gz XPVKZYHOBSPNPJ-UWHLTILDSA-N 3 1 329.532 3.250 20 0 EGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423289558 309394165 /nfs/dbraw/zinc/39/41/65/309394165.db2.gz XNRPXPHEWKIJFV-OAHLLOKOSA-N 2 1 330.476 3.167 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000423300000 309394505 /nfs/dbraw/zinc/39/45/05/309394505.db2.gz QTOPYSBXIIOFKY-QUCCMNQESA-N 2 1 327.472 3.481 20 0 EGADMP [NH3+]C1(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CCC1 ZINC000423339114 309395890 /nfs/dbraw/zinc/39/58/90/309395890.db2.gz WLVLPCJEGVTJQA-CYBMUJFWSA-N 2 1 325.250 3.134 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000423377069 309397774 /nfs/dbraw/zinc/39/77/74/309397774.db2.gz VRFCAVOXKNBRGB-XNTOXWQXSA-N 3 1 327.516 3.289 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000423377069 309397775 /nfs/dbraw/zinc/39/77/75/309397775.db2.gz VRFCAVOXKNBRGB-XNTOXWQXSA-N 3 1 327.516 3.289 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000423377069 309397776 /nfs/dbraw/zinc/39/77/76/309397776.db2.gz VRFCAVOXKNBRGB-XNTOXWQXSA-N 3 1 327.516 3.289 20 0 EGADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424159949 309431549 /nfs/dbraw/zinc/43/15/49/309431549.db2.gz WJCHVJIERNRVLY-RTBURBONSA-N 2 1 346.519 3.260 20 0 EGADMP Cc1ccc(-c2noc(CCC[NH2+][C@](C)(C[NH3+])C(C)C)n2)cc1F ZINC000430574126 309611482 /nfs/dbraw/zinc/61/14/82/309611482.db2.gz IKBMLAALGHSLMM-GOSISDBHSA-N 2 1 334.439 3.080 20 0 EGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc(C)sc2C)CC1 ZINC000443606148 309904446 /nfs/dbraw/zinc/90/44/46/309904446.db2.gz RUDAYUFLJXRTOD-UHFFFAOYSA-N 2 1 325.522 3.083 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)CCC2 ZINC000447547880 309981897 /nfs/dbraw/zinc/98/18/97/309981897.db2.gz DZZXLVZMJIPOCP-GDBMZVCRSA-N 2 1 348.487 3.464 20 0 EGADMP CC(C)[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449068137 310034405 /nfs/dbraw/zinc/03/44/05/310034405.db2.gz RHNPZFZRHRSCIO-UHFFFAOYSA-N 2 1 330.451 3.189 20 0 EGADMP CC(C)CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000449121393 310038564 /nfs/dbraw/zinc/03/85/64/310038564.db2.gz HQFDDYSQXDMVKN-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](Cc1coc2ccccc12)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000449148242 310040348 /nfs/dbraw/zinc/04/03/48/310040348.db2.gz JHMPKWFAQJACPA-AEFFLSMTSA-N 2 1 330.472 3.190 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc3ccoc32)C1 ZINC000449236721 310046808 /nfs/dbraw/zinc/04/68/08/310046808.db2.gz ZDLPPAZJRSZJPF-HXUWFJFHSA-N 2 1 336.435 3.289 20 0 EGADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000449514100 310068545 /nfs/dbraw/zinc/06/85/45/310068545.db2.gz VFGXLWQTKXMYFE-UXHICEINSA-N 2 1 344.499 3.363 20 0 EGADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449582153 310073759 /nfs/dbraw/zinc/07/37/59/310073759.db2.gz DVVFCRSLNMLJPM-MDNKFWRPSA-N 2 1 344.499 3.361 20 0 EGADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449582153 310073760 /nfs/dbraw/zinc/07/37/60/310073760.db2.gz DVVFCRSLNMLJPM-MDNKFWRPSA-N 2 1 344.499 3.361 20 0 EGADMP CCc1ccc2[nH+]ccc(N3CCC([N@H+]4CCO[C@H](C)C4)CC3)c2c1 ZINC000450259106 310111503 /nfs/dbraw/zinc/11/15/03/310111503.db2.gz DLCUXAGELDEVOQ-MRXNPFEDSA-N 2 1 339.483 3.487 20 0 EGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC3CC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000450472781 310124599 /nfs/dbraw/zinc/12/45/99/310124599.db2.gz GCNGPIYLOXQCAI-GASCZTMLSA-N 2 1 330.463 3.243 20 0 EGADMP C[C@H]1C[N@@H+](CC23CC4CC(CC(C4)C2)C3)CCN1C1CC[NH+](C)CC1 ZINC000450653406 310135298 /nfs/dbraw/zinc/13/52/98/310135298.db2.gz OUVFSJZHJUIJIM-WEWRAIFCSA-N 2 1 345.575 3.303 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](NCC[NH+]3CCCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453074405 310256226 /nfs/dbraw/zinc/25/62/26/310256226.db2.gz GHJMKKPMCFWYSI-HKBOAZHASA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCN3CCCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453074405 310256227 /nfs/dbraw/zinc/25/62/27/310256227.db2.gz GHJMKKPMCFWYSI-HKBOAZHASA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCN3CCCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453074405 310256228 /nfs/dbraw/zinc/25/62/28/310256228.db2.gz GHJMKKPMCFWYSI-HKBOAZHASA-N 2 1 327.516 3.115 20 0 EGADMP CCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000453150553 310261014 /nfs/dbraw/zinc/26/10/14/310261014.db2.gz USZHDRGJCVDMNC-PWRODBHTSA-N 2 1 338.499 3.436 20 0 EGADMP CCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000453150553 310261015 /nfs/dbraw/zinc/26/10/15/310261015.db2.gz USZHDRGJCVDMNC-PWRODBHTSA-N 2 1 338.499 3.436 20 0 EGADMP Cc1c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cnn1C ZINC000453172670 310262398 /nfs/dbraw/zinc/26/23/98/310262398.db2.gz IKTKQFVIUANXEM-HBMCJLEFSA-N 2 1 338.499 3.261 20 0 EGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453200044 310263673 /nfs/dbraw/zinc/26/36/73/310263673.db2.gz UMLVSXFXZHISQE-NHCUHLMSSA-N 2 1 328.500 3.312 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC3=CCCOC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453225467 310265169 /nfs/dbraw/zinc/26/51/69/310265169.db2.gz MTJSQXRSLBXUOZ-NJYVYQBISA-N 2 1 326.484 3.366 20 0 EGADMP OC1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453228914 310265453 /nfs/dbraw/zinc/26/54/53/310265453.db2.gz ZRLITXXZDHOGAQ-DPVAKWRKSA-N 2 1 328.500 3.180 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000453256700 310267209 /nfs/dbraw/zinc/26/72/09/310267209.db2.gz QZBHMJVTKGHNIC-QUCCMNQESA-N 2 1 338.499 3.300 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1cccc(OCC[NH+](C)C)c1 ZINC000453376571 310273692 /nfs/dbraw/zinc/27/36/92/310273692.db2.gz YEHSBHKCBDIOJK-VKJFTORMSA-N 2 1 328.460 3.180 20 0 EGADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000453391496 310274404 /nfs/dbraw/zinc/27/44/04/310274404.db2.gz DOGIBEKMYQRUCG-KSEOMHKRSA-N 3 1 341.543 3.361 20 0 EGADMP C[NH+](CCCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000453391496 310274405 /nfs/dbraw/zinc/27/44/05/310274405.db2.gz DOGIBEKMYQRUCG-KSEOMHKRSA-N 3 1 341.543 3.361 20 0 EGADMP C[NH+](CCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000453391496 310274406 /nfs/dbraw/zinc/27/44/06/310274406.db2.gz DOGIBEKMYQRUCG-KSEOMHKRSA-N 3 1 341.543 3.361 20 0 EGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1C ZINC000453393822 310274744 /nfs/dbraw/zinc/27/47/44/310274744.db2.gz GLVJEDCUZBPJHN-MRXNPFEDSA-N 2 1 331.504 3.485 20 0 EGADMP CSc1cc2c(cc1C[NH2+]CCCC[N@@H+](C)C1CC1)OCCO2 ZINC000453595018 310283609 /nfs/dbraw/zinc/28/36/09/310283609.db2.gz JQWZRXCRFYTTCZ-UHFFFAOYSA-N 2 1 336.501 3.144 20 0 EGADMP Cc1cc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cn2cc[nH+]c12 ZINC000455665561 310371857 /nfs/dbraw/zinc/37/18/57/310371857.db2.gz UJEZKEWWIULLLC-KRWDZBQOSA-N 2 1 337.427 3.067 20 0 EGADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455843964 310379213 /nfs/dbraw/zinc/37/92/13/310379213.db2.gz GUVFTHYDCNJTMI-IEBWSBKVSA-N 2 1 344.503 3.184 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](C2CCC2)CC1)c1cccc(Cl)c1 ZINC000456687829 310417977 /nfs/dbraw/zinc/41/79/77/310417977.db2.gz XKRAOBNFXBIULF-SFHVURJKSA-N 2 1 349.906 3.076 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)NC1CCCCC1 ZINC000482135490 310926801 /nfs/dbraw/zinc/92/68/01/310926801.db2.gz ISNPQOCKTYFDSN-AOIWGVFYSA-N 2 1 337.552 3.314 20 0 EGADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000487190832 311014626 /nfs/dbraw/zinc/01/46/26/311014626.db2.gz BOMNBHRDQVCIOB-DBVUQKKJSA-N 2 1 343.515 3.201 20 0 EGADMP CCC[N@H+](CCn1cc[nH+]c1C)[C@H](C)C(=O)Nc1ccccc1C ZINC000490032942 311130665 /nfs/dbraw/zinc/13/06/65/311130665.db2.gz MAPNDTCUVDIYDW-MRXNPFEDSA-N 2 1 328.460 3.239 20 0 EGADMP CCC[N@@H+](CCn1cc[nH+]c1C)[C@H](C)C(=O)Nc1ccccc1C ZINC000490032942 311130666 /nfs/dbraw/zinc/13/06/66/311130666.db2.gz MAPNDTCUVDIYDW-MRXNPFEDSA-N 2 1 328.460 3.239 20 0 EGADMP C[C@H](NCCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700772 312100131 /nfs/dbraw/zinc/10/01/31/312100131.db2.gz UZWCGCSTTOIYMZ-PZJWPPBQSA-N 2 1 329.532 3.363 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508700772 312100132 /nfs/dbraw/zinc/10/01/32/312100132.db2.gz UZWCGCSTTOIYMZ-PZJWPPBQSA-N 3 1 329.532 3.363 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700772 312100133 /nfs/dbraw/zinc/10/01/33/312100133.db2.gz UZWCGCSTTOIYMZ-PZJWPPBQSA-N 3 1 329.532 3.363 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1C ZINC000510930041 312151147 /nfs/dbraw/zinc/15/11/47/312151147.db2.gz ODXMLYCFJKQZOZ-OAHLLOKOSA-N 2 1 328.460 3.205 20 0 EGADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000511633760 312165241 /nfs/dbraw/zinc/16/52/41/312165241.db2.gz HXZNDNHUFDVNKH-INIZCTEOSA-N 2 1 349.494 3.198 20 0 EGADMP Cc1ccc([C@@H](C)[N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000511657000 312166072 /nfs/dbraw/zinc/16/60/72/312166072.db2.gz DOHNSALJUSOPMI-GOSISDBHSA-N 2 1 345.531 3.285 20 0 EGADMP Cc1ccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1C ZINC000512685179 312192737 /nfs/dbraw/zinc/19/27/37/312192737.db2.gz ACMBEEVMXHDQEI-WOJBJXKFSA-N 2 1 329.532 3.294 20 0 EGADMP c1cnn(CC[NH2+][C@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000513677875 312215290 /nfs/dbraw/zinc/21/52/90/312215290.db2.gz DHEWRGHYAUEBGP-ACRUOGEOSA-N 2 1 338.499 3.164 20 0 EGADMP Cc1ccccc1C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CC1 ZINC000514875461 312251225 /nfs/dbraw/zinc/25/12/25/312251225.db2.gz QTUFMPIAYHXUKC-GHTZIAJQSA-N 2 1 330.516 3.407 20 0 EGADMP Cc1ccccc1C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CC1 ZINC000514875461 312251227 /nfs/dbraw/zinc/25/12/27/312251227.db2.gz QTUFMPIAYHXUKC-GHTZIAJQSA-N 2 1 330.516 3.407 20 0 EGADMP CC[NH+]1CCC(C[NH2+][C@@H](c2nccn2C)c2ccc(Cl)cc2)CC1 ZINC000516248262 312316830 /nfs/dbraw/zinc/31/68/30/312316830.db2.gz YVJCZPUCOYBFNU-GOSISDBHSA-N 2 1 346.906 3.484 20 0 EGADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCc1c[nH+]cn1C ZINC000518828801 312431240 /nfs/dbraw/zinc/43/12/40/312431240.db2.gz RIAORLXCVYIGAP-LLVKDONJSA-N 2 1 340.240 3.085 20 0 EGADMP CCN(C(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC000522546186 312592202 /nfs/dbraw/zinc/59/22/02/312592202.db2.gz AFIVAPCFHARTQZ-FUHWJXTLSA-N 2 1 333.520 3.384 20 0 EGADMP COc1ccc(Br)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000087798466 454089658 /nfs/dbraw/zinc/08/96/58/454089658.db2.gz LEBVLIAXONEDJJ-UHFFFAOYSA-N 2 1 341.293 3.231 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000528388922 313081375 /nfs/dbraw/zinc/08/13/75/313081375.db2.gz RSZJIBNHILXKTN-WOJBJXKFSA-N 2 1 334.479 3.334 20 0 EGADMP Cc1ncc(CN2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)n1C ZINC000529643357 313377237 /nfs/dbraw/zinc/37/72/37/313377237.db2.gz ZBCHDSKQABAORM-FQEVSTJZSA-N 2 1 326.488 3.071 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2)[C@H](C)C1 ZINC000536874267 314151073 /nfs/dbraw/zinc/15/10/73/314151073.db2.gz CPNOXOPXBPOLSY-GGPKGHCWSA-N 2 1 334.504 3.181 20 0 EGADMP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2)CC1 ZINC000539646390 314326098 /nfs/dbraw/zinc/32/60/98/314326098.db2.gz OBMKZBWJIQAGCM-PKOBYXMFSA-N 2 1 330.520 3.112 20 0 EGADMP C[NH+](C)Cc1cccc(C[NH2+][C@H](c2ccccc2)c2cncnc2)c1 ZINC000544581568 314705123 /nfs/dbraw/zinc/70/51/23/314705123.db2.gz LKJDOKJQOJIMMW-OAQYLSRUSA-N 2 1 332.451 3.417 20 0 EGADMP CCC(CC)[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000548442096 315009952 /nfs/dbraw/zinc/00/99/52/315009952.db2.gz GORIZTOGBDYZGE-IBGZPJMESA-N 2 1 331.504 3.059 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000552973323 315239205 /nfs/dbraw/zinc/23/92/05/315239205.db2.gz RNUVZQSESLXNBG-UHFFFAOYSA-N 2 1 329.488 3.343 20 0 EGADMP COc1ccc2nc(CN3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)sc2c1 ZINC000554886446 315354600 /nfs/dbraw/zinc/35/46/00/315354600.db2.gz KUZFECNSXKCKRW-BBRMVZONSA-N 2 1 331.485 3.221 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H]3CCC(C)(C)C3)CC2)CC1 ZINC000563392945 316013384 /nfs/dbraw/zinc/01/33/84/316013384.db2.gz RNSRJLWMRUDHBQ-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3C[C@@H]4OCCC[C@H]34)CC23CC3)cc1 ZINC000563810838 316072577 /nfs/dbraw/zinc/07/25/77/316072577.db2.gz VYSMZFONOZFINE-NMLBUPMWSA-N 2 1 326.484 3.341 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3C[C@@H]4OCCC[C@H]34)CC23CC3)cc1 ZINC000563810838 316072579 /nfs/dbraw/zinc/07/25/79/316072579.db2.gz VYSMZFONOZFINE-NMLBUPMWSA-N 2 1 326.484 3.341 20 0 EGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000568083328 316721565 /nfs/dbraw/zinc/72/15/65/316721565.db2.gz DBBGDMJFXNJAKE-QAPCUYQASA-N 2 1 347.503 3.043 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000569758052 316959527 /nfs/dbraw/zinc/95/95/27/316959527.db2.gz XQXOZIOIPGGNDY-OAHLLOKOSA-N 2 1 338.224 3.141 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](SCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)C2)cc1 ZINC000570213086 317023067 /nfs/dbraw/zinc/02/30/67/317023067.db2.gz ZFRYZTHNMDNDTF-HSALFYBXSA-N 2 1 346.540 3.247 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](SCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)C2)cc1 ZINC000570213086 317023070 /nfs/dbraw/zinc/02/30/70/317023070.db2.gz ZFRYZTHNMDNDTF-HSALFYBXSA-N 2 1 346.540 3.247 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H](SCC[NH+]3C[C@H]4CC[C@@H](C3)O4)C2)cc1 ZINC000570213086 317023073 /nfs/dbraw/zinc/02/30/73/317023073.db2.gz ZFRYZTHNMDNDTF-HSALFYBXSA-N 2 1 346.540 3.247 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](SCC[NH+]3C[C@H]4CC[C@@H](C3)O4)C2)cc1 ZINC000570213086 317023076 /nfs/dbraw/zinc/02/30/76/317023076.db2.gz ZFRYZTHNMDNDTF-HSALFYBXSA-N 2 1 346.540 3.247 20 0 EGADMP FC(F)(F)c1ccccc1OCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000570964270 317133674 /nfs/dbraw/zinc/13/36/74/317133674.db2.gz HFSDHLOPHYFVJM-HUUCEWRRSA-N 2 1 342.405 3.406 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000571175378 317162112 /nfs/dbraw/zinc/16/21/12/317162112.db2.gz GKANBNUHKADKDO-IKGGRYGDSA-N 2 1 344.421 3.244 20 0 EGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Br)cn1 ZINC000571468368 317203521 /nfs/dbraw/zinc/20/35/21/317203521.db2.gz DPLONEDDLKTWEC-UBHSHLNASA-N 2 1 326.282 3.368 20 0 EGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000572635746 317368140 /nfs/dbraw/zinc/36/81/40/317368140.db2.gz FMAFNVVDYZPXNX-SJLPKXTDSA-N 2 1 331.504 3.093 20 0 EGADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261619935 455914590 /nfs/dbraw/zinc/91/45/90/455914590.db2.gz GGYRMEHXHFRZJP-TZMCWYRMSA-N 2 1 328.287 3.034 20 0 EGADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261619935 455914594 /nfs/dbraw/zinc/91/45/94/455914594.db2.gz GGYRMEHXHFRZJP-TZMCWYRMSA-N 2 1 328.287 3.034 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)CC1 ZINC000337421534 456351682 /nfs/dbraw/zinc/35/16/82/456351682.db2.gz QDZNUJXKXIWFAP-HNNXBMFYSA-N 2 1 335.458 3.065 20 0 EGADMP CCC1CCC([N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C2CC2)CC1 ZINC000172246479 323274089 /nfs/dbraw/zinc/27/40/89/323274089.db2.gz BSNYRWKPFLBDNQ-UHFFFAOYSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc(Cl)c2F)C[C@H](C)O1 ZINC000177568187 323341599 /nfs/dbraw/zinc/34/15/99/323341599.db2.gz JAQRVUFNLFIXSH-OKILXGFUSA-N 2 1 328.859 3.458 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000177902940 323347851 /nfs/dbraw/zinc/34/78/51/323347851.db2.gz KVNMSQFZPDPWPK-XJKCOSOUSA-N 2 1 330.394 3.403 20 0 EGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000183052168 323592298 /nfs/dbraw/zinc/59/22/98/323592298.db2.gz YXNLTVJVEXMDMX-QUCCMNQESA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379665086 324240196 /nfs/dbraw/zinc/24/01/96/324240196.db2.gz RHRSWWJRAAAAJZ-AFYVEPGGSA-N 2 1 343.515 3.063 20 0 EGADMP CC(C)CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C(C)(C)C ZINC000578672475 325002540 /nfs/dbraw/zinc/00/25/40/325002540.db2.gz HLLKYXDXTSVJNN-DLBZAZTESA-N 2 1 325.541 3.014 20 0 EGADMP Cc1cccc(CC[N@H+](C)C2CCN(CCC(F)(F)F)CC2)n1 ZINC000578862721 325029610 /nfs/dbraw/zinc/02/96/10/325029610.db2.gz HBSUMVQSQDRTCJ-UHFFFAOYSA-N 2 1 329.410 3.281 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000580301905 325231015 /nfs/dbraw/zinc/23/10/15/325231015.db2.gz AQGVFALRZHXIGJ-WBVHZDCISA-N 2 1 347.528 3.344 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000580301905 325231019 /nfs/dbraw/zinc/23/10/19/325231019.db2.gz AQGVFALRZHXIGJ-WBVHZDCISA-N 2 1 347.528 3.344 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000580332163 325236677 /nfs/dbraw/zinc/23/66/77/325236677.db2.gz HCIBYKHVSNICEM-YLJYHZDGSA-N 2 1 343.515 3.190 20 0 EGADMP Cc1ccc([C@H](CC(=O)OC(C)C)[NH2+]CCCc2c[nH+]cn2C)cc1 ZINC000582309272 325431210 /nfs/dbraw/zinc/43/12/10/325431210.db2.gz XBIGKZVGIQPLFU-IBGZPJMESA-N 2 1 343.471 3.334 20 0 EGADMP CCC[C@@H](C)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000349411886 456964267 /nfs/dbraw/zinc/96/42/67/456964267.db2.gz BMGYKYOVSBDEIQ-KURKYZTESA-N 2 1 326.525 3.013 20 0 EGADMP CCC[C@@H](C)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000349411886 456964271 /nfs/dbraw/zinc/96/42/71/456964271.db2.gz BMGYKYOVSBDEIQ-KURKYZTESA-N 2 1 326.525 3.013 20 0 EGADMP COc1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c(SC)cc1OC ZINC000346693925 457115009 /nfs/dbraw/zinc/11/50/09/457115009.db2.gz QOQDPEVPQWDTPM-CQSZACIVSA-N 2 1 326.506 3.231 20 0 EGADMP COc1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c(SC)cc1OC ZINC000346693925 457115019 /nfs/dbraw/zinc/11/50/19/457115019.db2.gz QOQDPEVPQWDTPM-CQSZACIVSA-N 2 1 326.506 3.231 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)CCn2cccn2)CC1 ZINC000157830630 455236983 /nfs/dbraw/zinc/23/69/83/455236983.db2.gz ZXEWYPGHPNGOCX-ZWKOTPCHSA-N 2 1 326.488 3.477 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183138917 455237255 /nfs/dbraw/zinc/23/72/55/455237255.db2.gz ZBOSYAZLIOXJAW-BHIFYINESA-N 3 1 341.543 3.219 20 0 EGADMP CC[C@H](CCO)C[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183148184 455238591 /nfs/dbraw/zinc/23/85/91/455238591.db2.gz IFAXQHDGVUWBHR-HZEGPAAWSA-N 2 1 330.516 3.285 20 0 EGADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000158233167 455282822 /nfs/dbraw/zinc/28/28/22/455282822.db2.gz AZTVGBZPRAEXEO-STQMWFEESA-N 2 1 326.868 3.350 20 0 EGADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000158233167 455282826 /nfs/dbraw/zinc/28/28/26/455282826.db2.gz AZTVGBZPRAEXEO-STQMWFEESA-N 2 1 326.868 3.350 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[NH+](CC)CC2)cc1 ZINC000264810073 455286142 /nfs/dbraw/zinc/28/61/42/455286142.db2.gz VPPJAUYLXFMTTE-UHFFFAOYSA-N 2 1 331.504 3.086 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](CC)CC2)cc1 ZINC000264810073 455286146 /nfs/dbraw/zinc/28/61/46/455286146.db2.gz VPPJAUYLXFMTTE-UHFFFAOYSA-N 2 1 331.504 3.086 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](CC)CC2)cc1 ZINC000264810073 455286152 /nfs/dbraw/zinc/28/61/52/455286152.db2.gz VPPJAUYLXFMTTE-UHFFFAOYSA-N 2 1 331.504 3.086 20 0 EGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183402763 455287999 /nfs/dbraw/zinc/28/79/99/455287999.db2.gz LPAYWTXXDDKHCD-CVEARBPZSA-N 2 1 327.513 3.096 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)[C@H](C)C1 ZINC000245571809 455333017 /nfs/dbraw/zinc/33/30/17/455333017.db2.gz BXTQKENODYITMZ-GLJUWKHASA-N 2 1 339.886 3.378 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)[C@H](C)C1 ZINC000159280937 455366578 /nfs/dbraw/zinc/36/65/78/455366578.db2.gz QXUSBGBOZMGWKV-QAPCUYQASA-N 2 1 341.455 3.352 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000081362668 453865540 /nfs/dbraw/zinc/86/55/40/453865540.db2.gz XYBUPNMNYQTABR-LJQANCHMSA-N 2 1 343.515 3.086 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000081568771 453888446 /nfs/dbraw/zinc/88/84/46/453888446.db2.gz NRVSTOUQZITUSF-KRWDZBQOSA-N 2 1 342.487 3.333 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000081568771 453888447 /nfs/dbraw/zinc/88/84/47/453888447.db2.gz NRVSTOUQZITUSF-KRWDZBQOSA-N 2 1 342.487 3.333 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000081568771 453888449 /nfs/dbraw/zinc/88/84/49/453888449.db2.gz NRVSTOUQZITUSF-KRWDZBQOSA-N 2 1 342.487 3.333 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000081568771 453888451 /nfs/dbraw/zinc/88/84/51/453888451.db2.gz NRVSTOUQZITUSF-KRWDZBQOSA-N 2 1 342.487 3.333 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000081578830 453890466 /nfs/dbraw/zinc/89/04/66/453890466.db2.gz ZEQKBPMLGOKWKL-HNNXBMFYSA-N 2 1 337.895 3.332 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000081578830 453890471 /nfs/dbraw/zinc/89/04/71/453890471.db2.gz ZEQKBPMLGOKWKL-HNNXBMFYSA-N 2 1 337.895 3.332 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000081578830 453890473 /nfs/dbraw/zinc/89/04/73/453890473.db2.gz ZEQKBPMLGOKWKL-HNNXBMFYSA-N 2 1 337.895 3.332 20 0 EGADMP COc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1Br ZINC000035015363 453921965 /nfs/dbraw/zinc/92/19/65/453921965.db2.gz DJGOTMIEQHHRJY-UHFFFAOYSA-N 2 1 341.293 3.423 20 0 EGADMP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000076115552 453966182 /nfs/dbraw/zinc/96/61/82/453966182.db2.gz UXDGXZHPUYIJEG-QAPCUYQASA-N 2 1 349.906 3.077 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000076115552 453966186 /nfs/dbraw/zinc/96/61/86/453966186.db2.gz UXDGXZHPUYIJEG-QAPCUYQASA-N 2 1 349.906 3.077 20 0 EGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(F)cc3F)CC2)C[C@@H](C)O1 ZINC000084862064 454012715 /nfs/dbraw/zinc/01/27/15/454012715.db2.gz DHSFWVWTLSKGGN-HUUCEWRRSA-N 2 1 338.442 3.286 20 0 EGADMP CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000068442151 454027531 /nfs/dbraw/zinc/02/75/31/454027531.db2.gz OZIQLBUVQPFMPC-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000069754138 454140985 /nfs/dbraw/zinc/14/09/85/454140985.db2.gz AIHPAALCXAMDEY-UHFFFAOYSA-N 2 1 326.213 3.273 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@H](C)C1 ZINC000089510303 454157245 /nfs/dbraw/zinc/15/72/45/454157245.db2.gz MYLCUMNDVRONSB-XLIONFOSSA-N 2 1 343.515 3.133 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@H](C)C1 ZINC000089510303 454157248 /nfs/dbraw/zinc/15/72/48/454157248.db2.gz MYLCUMNDVRONSB-XLIONFOSSA-N 2 1 343.515 3.133 20 0 EGADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000047257456 454347286 /nfs/dbraw/zinc/34/72/86/454347286.db2.gz QIRHATORUHZCGT-WOJBJXKFSA-N 2 1 341.499 3.029 20 0 EGADMP CCCC[NH+]1CCC([NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000079000200 454352240 /nfs/dbraw/zinc/35/22/40/454352240.db2.gz NHVHOMRZHNTJLU-UHFFFAOYSA-N 2 1 326.488 3.286 20 0 EGADMP COc1ccc(Br)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063121427 454394441 /nfs/dbraw/zinc/39/44/41/454394441.db2.gz MWPKCCUCXQOICJ-UHFFFAOYSA-N 2 1 341.293 3.231 20 0 EGADMP CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000073125485 454398098 /nfs/dbraw/zinc/39/80/98/454398098.db2.gz SFVOPRHLJSJRJB-INIZCTEOSA-N 2 1 338.455 3.287 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCc3ccc(C(C)C)cc3)C2)CC1 ZINC000121371395 454427217 /nfs/dbraw/zinc/42/72/17/454427217.db2.gz SODOJYRQJMWEBF-OAQYLSRUSA-N 2 1 329.532 3.064 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000121466918 454439002 /nfs/dbraw/zinc/43/90/02/454439002.db2.gz UNOKVTVIZXBFDN-CABCVRRESA-N 2 1 342.443 3.135 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133678736 454454493 /nfs/dbraw/zinc/45/44/93/454454493.db2.gz QTAUXPXDPKUUAF-GOSISDBHSA-N 2 1 346.563 3.037 20 0 EGADMP CC[C@@H](C)N(C)CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133678736 454454496 /nfs/dbraw/zinc/45/44/96/454454496.db2.gz QTAUXPXDPKUUAF-GOSISDBHSA-N 2 1 346.563 3.037 20 0 EGADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCCCC1 ZINC000079799193 454481397 /nfs/dbraw/zinc/48/13/97/454481397.db2.gz ZFLSNFBGXUTCIC-UHFFFAOYSA-N 2 1 343.515 3.163 20 0 EGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000104136972 454575046 /nfs/dbraw/zinc/57/50/46/454575046.db2.gz BUGFAFWMYHGNCY-LJQANCHMSA-N 2 1 331.504 3.019 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000122878021 454577411 /nfs/dbraw/zinc/57/74/11/454577411.db2.gz POTIHIUJZONHNA-BFYDXBDKSA-N 2 1 332.488 3.054 20 0 EGADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000122962198 454586479 /nfs/dbraw/zinc/58/64/79/454586479.db2.gz CWODCKCUSXYGDN-OAHLLOKOSA-N 2 1 329.492 3.261 20 0 EGADMP COc1cc[nH+]c(N2CCN([C@@H](C)c3cc(F)ccc3F)CC2)c1 ZINC000104720167 454598033 /nfs/dbraw/zinc/59/80/33/454598033.db2.gz IHJVMRXKRXSLSB-ZDUSSCGKSA-N 2 1 333.382 3.252 20 0 EGADMP COc1cc[nH+]c(N2CCN([C@@H](C)c3c(F)cccc3F)CC2)c1 ZINC000104719957 454598071 /nfs/dbraw/zinc/59/80/71/454598071.db2.gz ZPYHQBMUUDJUBM-ZDUSSCGKSA-N 2 1 333.382 3.252 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)CC3 ZINC000123086803 454601175 /nfs/dbraw/zinc/60/11/75/454601175.db2.gz PLWQAASBOGRAQS-GJZGRUSLSA-N 2 1 339.483 3.108 20 0 EGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000123101361 454602000 /nfs/dbraw/zinc/60/20/00/454602000.db2.gz FJDYRWMWCRPBGM-IOMROCGXSA-N 2 1 329.532 3.143 20 0 EGADMP CC[C@H](CN[C@@H]1CC[N@H+](CC)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000123101361 454602005 /nfs/dbraw/zinc/60/20/05/454602005.db2.gz FJDYRWMWCRPBGM-IOMROCGXSA-N 2 1 329.532 3.143 20 0 EGADMP CC[C@H](CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000123101361 454602009 /nfs/dbraw/zinc/60/20/09/454602009.db2.gz FJDYRWMWCRPBGM-IOMROCGXSA-N 2 1 329.532 3.143 20 0 EGADMP CC[C@H](CN[C@@H]1CC[NH+](CC)C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000123101361 454602014 /nfs/dbraw/zinc/60/20/14/454602014.db2.gz FJDYRWMWCRPBGM-IOMROCGXSA-N 2 1 329.532 3.143 20 0 EGADMP CC[C@H](CN[C@@H]1CC[NH+](CC)C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000123101361 454602022 /nfs/dbraw/zinc/60/20/22/454602022.db2.gz FJDYRWMWCRPBGM-IOMROCGXSA-N 2 1 329.532 3.143 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000092666286 454605565 /nfs/dbraw/zinc/60/55/65/454605565.db2.gz VYEWURHKLNTIRS-HDICACEKSA-N 2 1 340.515 3.158 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1cccc(-c3ccc(N)cc3)n1)CC[NH2+]CC2 ZINC000634996484 460644471 /nfs/dbraw/zinc/64/44/71/460644471.db2.gz LHPDEBMXWNVACF-INIZCTEOSA-N 2 1 336.483 3.295 20 0 EGADMP C[N@@H+](CCN1CC[NH+](C[C@H]2CC=CCC2)CC1)Cc1ccccc1 ZINC000093104890 454683395 /nfs/dbraw/zinc/68/33/95/454683395.db2.gz LRKBAGYVLYQTKB-NRFANRHFSA-N 2 1 327.516 3.092 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000124302869 454715774 /nfs/dbraw/zinc/71/57/74/454715774.db2.gz PDWCCQDIKYQSAK-LJQANCHMSA-N 2 1 331.504 3.017 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000124302869 454715778 /nfs/dbraw/zinc/71/57/78/454715778.db2.gz PDWCCQDIKYQSAK-LJQANCHMSA-N 2 1 331.504 3.017 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2sccc2OC)CC1 ZINC000093769409 454734844 /nfs/dbraw/zinc/73/48/44/454734844.db2.gz ZGWITZHQJXPXSY-UHFFFAOYSA-N 2 1 340.533 3.327 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CCN(CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000093770441 454735102 /nfs/dbraw/zinc/73/51/02/454735102.db2.gz DTQPRXVENOCMBD-FQEVSTJZSA-N 2 1 331.548 3.418 20 0 EGADMP CC[NH+](C)C[C@@H]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000093770441 454735104 /nfs/dbraw/zinc/73/51/04/454735104.db2.gz DTQPRXVENOCMBD-FQEVSTJZSA-N 2 1 331.548 3.418 20 0 EGADMP CC[NH+](C)C[C@@H]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000093770441 454735106 /nfs/dbraw/zinc/73/51/06/454735106.db2.gz DTQPRXVENOCMBD-FQEVSTJZSA-N 2 1 331.548 3.418 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@@]4(CCSC4)C3)CC2)cc1 ZINC000176387064 454737466 /nfs/dbraw/zinc/73/74/66/454737466.db2.gz NRLISOLXQMCSLJ-UXHICEINSA-N 2 1 346.540 3.295 20 0 EGADMP CCOC[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093839100 454739243 /nfs/dbraw/zinc/73/92/43/454739243.db2.gz QPOWOJRBYXJEJU-GOSISDBHSA-N 2 1 345.531 3.075 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009439 460652436 /nfs/dbraw/zinc/65/24/36/460652436.db2.gz GZIGEFSVTXNXPZ-MISYRCLQSA-N 2 1 329.532 3.265 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009439 460652442 /nfs/dbraw/zinc/65/24/42/460652442.db2.gz GZIGEFSVTXNXPZ-MISYRCLQSA-N 2 1 329.532 3.265 20 0 EGADMP FC(F)(F)c1ccn(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)n1 ZINC000162506216 454779354 /nfs/dbraw/zinc/77/93/54/454779354.db2.gz SPVQHESYRMJZDB-UHFFFAOYSA-N 2 1 344.425 3.415 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)cc1)C(C)C ZINC000108304231 454791591 /nfs/dbraw/zinc/79/15/91/454791591.db2.gz ZMZGQNVHBMOZPG-HXUWFJFHSA-N 2 1 343.515 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1)C(C)C ZINC000108304231 454791596 /nfs/dbraw/zinc/79/15/96/454791596.db2.gz ZMZGQNVHBMOZPG-HXUWFJFHSA-N 2 1 343.515 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1)C(C)C ZINC000108304231 454791601 /nfs/dbraw/zinc/79/16/01/454791601.db2.gz ZMZGQNVHBMOZPG-HXUWFJFHSA-N 2 1 343.515 3.131 20 0 EGADMP Cc1ccc(C(=O)NC2CC[NH+](CCC[NH+]3CCCCC3)CC2)s1 ZINC000125054870 454793530 /nfs/dbraw/zinc/79/35/30/454793530.db2.gz NPLLCVFPUOJMGB-UHFFFAOYSA-N 2 1 349.544 3.127 20 0 EGADMP CSc1ccccc1NC(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139810983 454812168 /nfs/dbraw/zinc/81/21/68/454812168.db2.gz UXFFNSKHFAKTJC-ZMSDIMECSA-N 2 1 347.528 3.152 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000125419243 454820751 /nfs/dbraw/zinc/82/07/51/454820751.db2.gz GIGSPRJDBGDXLZ-UHFFFAOYSA-N 2 1 346.906 3.443 20 0 EGADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000163119175 454824328 /nfs/dbraw/zinc/82/43/28/454824328.db2.gz PLYYINIBHXODTM-OAQYLSRUSA-N 2 1 348.506 3.363 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000163247352 454833687 /nfs/dbraw/zinc/83/36/87/454833687.db2.gz JUCPEWPNGJOLTN-HXUWFJFHSA-N 2 1 327.472 3.305 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000163247352 454833690 /nfs/dbraw/zinc/83/36/90/454833690.db2.gz JUCPEWPNGJOLTN-HXUWFJFHSA-N 2 1 327.472 3.305 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000163583459 454856608 /nfs/dbraw/zinc/85/66/08/454856608.db2.gz NHUAZXLZJRGYOA-HNAYVOBHSA-N 2 1 335.923 3.377 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC000163583459 454856610 /nfs/dbraw/zinc/85/66/10/454856610.db2.gz NHUAZXLZJRGYOA-HNAYVOBHSA-N 3 1 335.923 3.377 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@H]1CCOC1 ZINC000164494256 454883572 /nfs/dbraw/zinc/88/35/72/454883572.db2.gz SOGUKHRWHSKDFA-QFBILLFUSA-N 2 1 328.456 3.426 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc(=O)oc2c1C ZINC000150812031 454896823 /nfs/dbraw/zinc/89/68/23/454896823.db2.gz UYSNRSYBFDWDJW-KRWDZBQOSA-N 2 1 340.467 3.328 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc(=O)oc2c1C ZINC000150812031 454896826 /nfs/dbraw/zinc/89/68/26/454896826.db2.gz UYSNRSYBFDWDJW-KRWDZBQOSA-N 2 1 340.467 3.328 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000165367163 454900082 /nfs/dbraw/zinc/90/00/82/454900082.db2.gz PTIFBHUMJVOSKT-GUXCAODWSA-N 2 1 333.495 3.108 20 0 EGADMP C[C@H](c1ccccn1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246410859 455484968 /nfs/dbraw/zinc/48/49/68/455484968.db2.gz RHDRDZUHUHXUDI-FGTMMUONSA-N 2 1 331.504 3.354 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CC2)[C@H](C)C1 ZINC000127218418 454945881 /nfs/dbraw/zinc/94/58/81/454945881.db2.gz MHNCNSJXNCNDPV-UYAOXDASSA-N 2 1 330.516 3.445 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(N)c3ccccc3n2)CC1 ZINC000114475642 454956634 /nfs/dbraw/zinc/95/66/34/454956634.db2.gz FGEBFUVDFJSJHI-UHFFFAOYSA-N 2 1 341.503 3.156 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(N)c3ccccc3n2)CC1 ZINC000114475642 454956637 /nfs/dbraw/zinc/95/66/37/454956637.db2.gz FGEBFUVDFJSJHI-UHFFFAOYSA-N 2 1 341.503 3.156 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2c2ccc[nH]2)CC1 ZINC000127373260 454958919 /nfs/dbraw/zinc/95/89/19/454958919.db2.gz LUINDNGLIBOIFW-OAQYLSRUSA-N 2 1 338.499 3.494 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(-c2ccncc2)c1 ZINC000178523144 454959594 /nfs/dbraw/zinc/95/95/94/454959594.db2.gz VUDKQHQEFUVICR-QGZVFWFLSA-N 2 1 339.483 3.246 20 0 EGADMP CC[C@@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[NH+]1CCCC1 ZINC000151673056 455015204 /nfs/dbraw/zinc/01/52/04/455015204.db2.gz VSUYPOUTOIEHEE-HKUYNNGSSA-N 2 1 333.520 3.152 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000179224868 455022244 /nfs/dbraw/zinc/02/22/44/455022244.db2.gz RYPHLSQDNGRXHQ-UWVGGRQHSA-N 2 1 343.294 3.397 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000179446247 455048638 /nfs/dbraw/zinc/04/86/38/455048638.db2.gz IVPMZWRSNSVFIQ-WNSKOXEYSA-N 2 1 333.501 3.402 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000179446247 455048639 /nfs/dbraw/zinc/04/86/39/455048639.db2.gz IVPMZWRSNSVFIQ-WNSKOXEYSA-N 2 1 333.501 3.402 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000179525047 455054987 /nfs/dbraw/zinc/05/49/87/455054987.db2.gz UGSIAESPZLVESR-MMQJMDILSA-N 2 1 339.886 3.376 20 0 EGADMP CCc1nc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000171305154 455060028 /nfs/dbraw/zinc/06/00/28/455060028.db2.gz VBTNIEVMNMCLTE-GASCZTMLSA-N 2 1 337.533 3.027 20 0 EGADMP Cn1cccc1C(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000171384664 455066751 /nfs/dbraw/zinc/06/67/51/455066751.db2.gz PSGHABFAGXFPGL-UHFFFAOYSA-N 2 1 339.483 3.052 20 0 EGADMP Cn1cccc1C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000171384664 455066753 /nfs/dbraw/zinc/06/67/53/455066753.db2.gz PSGHABFAGXFPGL-UHFFFAOYSA-N 2 1 339.483 3.052 20 0 EGADMP C[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)[C@@H]1CCOC1 ZINC000179955731 455105652 /nfs/dbraw/zinc/10/56/52/455105652.db2.gz IBZDWKVSCYONEX-SJLPKXTDSA-N 2 1 331.504 3.302 20 0 EGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000623655523 460662268 /nfs/dbraw/zinc/66/22/68/460662268.db2.gz YWKQUMRYZCKCHF-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000623655523 460662277 /nfs/dbraw/zinc/66/22/77/460662277.db2.gz YWKQUMRYZCKCHF-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc1OC(F)F ZINC000152405050 455114220 /nfs/dbraw/zinc/11/42/20/455114220.db2.gz GRKVRFOZCKCVII-QWHCGFSZSA-N 2 1 340.414 3.432 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccncc1 ZINC000156497748 455125513 /nfs/dbraw/zinc/12/55/13/455125513.db2.gz CRQPEBZGWMFMSP-SJORKVTESA-N 2 1 325.456 3.153 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccncc1 ZINC000156497748 455125518 /nfs/dbraw/zinc/12/55/18/455125518.db2.gz CRQPEBZGWMFMSP-SJORKVTESA-N 2 1 325.456 3.153 20 0 EGADMP FC(F)CN1CCC([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000156691574 455144511 /nfs/dbraw/zinc/14/45/11/455144511.db2.gz JTCQMJUCKSLOCW-UHFFFAOYSA-N 2 1 343.506 3.494 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000264013178 455182756 /nfs/dbraw/zinc/18/27/56/455182756.db2.gz GQEPUIPSYMXUBV-MJGOQNOKSA-N 2 1 333.520 3.306 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000237518818 455191575 /nfs/dbraw/zinc/19/15/75/455191575.db2.gz HNSPBILOEPZQNU-MAUKXSAKSA-N 2 1 331.504 3.051 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000245413890 455292161 /nfs/dbraw/zinc/29/21/61/455292161.db2.gz BWEUVVDSXJMGCH-MOPGFXCFSA-N 2 1 345.531 3.006 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@@H](C)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000158583358 455314035 /nfs/dbraw/zinc/31/40/35/455314035.db2.gz RXQWTIFNIBBQBR-GUDVDZBRSA-N 2 1 343.515 3.355 20 0 EGADMP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158938513 455338290 /nfs/dbraw/zinc/33/82/90/455338290.db2.gz AFADYRSMETZLMI-ROUUACIJSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000174560453 455403515 /nfs/dbraw/zinc/40/35/15/455403515.db2.gz WPXWXMKJFHCPHG-UYAOXDASSA-N 2 1 343.515 3.014 20 0 EGADMP C[C@@H](NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(F)c1F ZINC000181958078 455405046 /nfs/dbraw/zinc/40/50/46/455405046.db2.gz ITXANKGPIFSSQL-PBHICJAKSA-N 2 1 346.421 3.035 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1cccc(F)c1F ZINC000181958078 455405051 /nfs/dbraw/zinc/40/50/51/455405051.db2.gz ITXANKGPIFSSQL-PBHICJAKSA-N 2 1 346.421 3.035 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC[N@@H+]1C ZINC000246040526 455416961 /nfs/dbraw/zinc/41/69/61/455416961.db2.gz XABASHUGIPSPTK-RDBSUJKOSA-N 2 1 325.859 3.130 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC[N@H+]1C ZINC000246040526 455416966 /nfs/dbraw/zinc/41/69/66/455416966.db2.gz XABASHUGIPSPTK-RDBSUJKOSA-N 2 1 325.859 3.130 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182049731 455424406 /nfs/dbraw/zinc/42/44/06/455424406.db2.gz MHPHKYPKSIMOGU-SFHVURJKSA-N 2 1 336.451 3.130 20 0 EGADMP COC(=O)c1oc([C@H](C)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000246100778 455426505 /nfs/dbraw/zinc/42/65/05/455426505.db2.gz OQSCZLBNMPCVQG-UXLLHSPISA-N 2 1 346.471 3.384 20 0 EGADMP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1C ZINC000246100778 455426510 /nfs/dbraw/zinc/42/65/10/455426510.db2.gz OQSCZLBNMPCVQG-UXLLHSPISA-N 2 1 346.471 3.384 20 0 EGADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000182087876 455432479 /nfs/dbraw/zinc/43/24/79/455432479.db2.gz HXQRZDNKXARFCY-DNVCBOLYSA-N 2 1 348.462 3.130 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000246149532 455437070 /nfs/dbraw/zinc/43/70/70/455437070.db2.gz BWIYZXTYWKCMNP-MBOZVWFJSA-N 2 1 326.488 3.253 20 0 EGADMP Cc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)s1 ZINC000182269391 455477026 /nfs/dbraw/zinc/47/70/26/455477026.db2.gz PQAPJHJRUVXHKT-UGSOOPFHSA-N 2 1 345.512 3.177 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000191522932 455494343 /nfs/dbraw/zinc/49/43/43/455494343.db2.gz ZTXLEHLJPKMMJI-ROUUACIJSA-N 2 1 348.535 3.195 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000191522932 455494344 /nfs/dbraw/zinc/49/43/44/455494344.db2.gz ZTXLEHLJPKMMJI-ROUUACIJSA-N 2 1 348.535 3.195 20 0 EGADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(F)cc3Cl)CC[C@H]21 ZINC000246764087 455523438 /nfs/dbraw/zinc/52/34/38/455523438.db2.gz PQJIXJBAGLMACZ-CZUORRHYSA-N 2 1 326.843 3.274 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(F)cc3Cl)CC[C@H]21 ZINC000246764087 455523443 /nfs/dbraw/zinc/52/34/43/455523443.db2.gz PQJIXJBAGLMACZ-CZUORRHYSA-N 2 1 326.843 3.274 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccc(F)cc3Cl)CC[C@H]21 ZINC000246764087 455523445 /nfs/dbraw/zinc/52/34/45/455523445.db2.gz PQJIXJBAGLMACZ-CZUORRHYSA-N 2 1 326.843 3.274 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccc(F)cc3Cl)CC[C@H]21 ZINC000246764087 455523448 /nfs/dbraw/zinc/52/34/48/455523448.db2.gz PQJIXJBAGLMACZ-CZUORRHYSA-N 2 1 326.843 3.274 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000246928142 455536618 /nfs/dbraw/zinc/53/66/18/455536618.db2.gz GZBYRQSVSMNDKB-GHTZIAJQSA-N 3 1 347.547 3.227 20 0 EGADMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000246928142 455536622 /nfs/dbraw/zinc/53/66/22/455536622.db2.gz GZBYRQSVSMNDKB-GHTZIAJQSA-N 2 1 347.547 3.227 20 0 EGADMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000246928142 455536623 /nfs/dbraw/zinc/53/66/23/455536623.db2.gz GZBYRQSVSMNDKB-GHTZIAJQSA-N 2 1 347.547 3.227 20 0 EGADMP CCN1CC[C@@H]([NH2+]Cc2ccc(OCC[NH+](CC)CC)cc2)[C@@H](C)C1 ZINC000246928142 455536626 /nfs/dbraw/zinc/53/66/26/455536626.db2.gz GZBYRQSVSMNDKB-GHTZIAJQSA-N 2 1 347.547 3.227 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2cccc(C)c2)[C@@H](C)C1 ZINC000247018837 455544257 /nfs/dbraw/zinc/54/42/57/455544257.db2.gz LRSAFFAMMSSSHL-ICSRJNTNSA-N 2 1 334.504 3.100 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000247022379 455545374 /nfs/dbraw/zinc/54/53/74/455545374.db2.gz MZCGIXCOLKPICF-RDJZCZTQSA-N 2 1 332.488 3.055 20 0 EGADMP COc1ccc(CC[C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000247026688 455546629 /nfs/dbraw/zinc/54/66/29/455546629.db2.gz NGPBWGLDMHPCGD-QRVBRYPASA-N 2 1 348.531 3.495 20 0 EGADMP CC[N@H+]1CC[C@@H](NCc2cc(OC)ccc2OC(F)F)[C@@H](C)C1 ZINC000247214497 455574304 /nfs/dbraw/zinc/57/43/04/455574304.db2.gz WAFWHEJAUVMQLN-SWLSCSKDSA-N 2 1 328.403 3.117 20 0 EGADMP CC(C)CO[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@@H](OCC(C)C)C2)C1 ZINC000247315325 455587633 /nfs/dbraw/zinc/58/76/33/455587633.db2.gz FWMYYBYNFJGQAI-BGEOSOQGSA-N 2 1 338.536 3.036 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185687994 455596807 /nfs/dbraw/zinc/59/68/07/455596807.db2.gz UYQSOCBRYBRFAF-YFVAEKQCSA-N 2 1 330.516 3.223 20 0 EGADMP C[C@@H](NCC(=O)N(C)C1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185702326 455600512 /nfs/dbraw/zinc/60/05/12/455600512.db2.gz HWHDBESCSSRRMK-IAGOWNOFSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185702326 455600517 /nfs/dbraw/zinc/60/05/17/455600517.db2.gz HWHDBESCSSRRMK-IAGOWNOFSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185702326 455600522 /nfs/dbraw/zinc/60/05/22/455600522.db2.gz HWHDBESCSSRRMK-IAGOWNOFSA-N 2 1 335.536 3.020 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000185740067 455611172 /nfs/dbraw/zinc/61/11/72/455611172.db2.gz ZUQKTKCXXYAXHF-UONOGXRCSA-N 2 1 336.501 3.277 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000185740067 455611175 /nfs/dbraw/zinc/61/11/75/455611175.db2.gz ZUQKTKCXXYAXHF-UONOGXRCSA-N 2 1 336.501 3.277 20 0 EGADMP C[C@@H]([NH2+]Cc1cc(F)cc2c1OCOC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185746197 455613597 /nfs/dbraw/zinc/61/35/97/455613597.db2.gz JMBNYXPKWRQXNM-CABCVRRESA-N 2 1 348.462 3.435 20 0 EGADMP C[C@@H]([NH2+]Cc1cc(F)cc2c1OCOC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185746197 455613603 /nfs/dbraw/zinc/61/36/03/455613603.db2.gz JMBNYXPKWRQXNM-CABCVRRESA-N 2 1 348.462 3.435 20 0 EGADMP COC(=O)C1CCC([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000192439494 455616148 /nfs/dbraw/zinc/61/61/48/455616148.db2.gz FOGKXOXGAPQKGU-UHFFFAOYSA-N 2 1 344.499 3.281 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NCC1CCCCC1 ZINC000185758437 455616139 /nfs/dbraw/zinc/61/61/39/455616139.db2.gz ZFTPYOAAKFROEC-LNLFQRSKSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)NCC1CCCCC1 ZINC000185758437 455616143 /nfs/dbraw/zinc/61/61/43/455616143.db2.gz ZFTPYOAAKFROEC-LNLFQRSKSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000277627630 455618566 /nfs/dbraw/zinc/61/85/66/455618566.db2.gz BXEFSZDCASPPDY-CQSZACIVSA-N 2 1 330.394 3.296 20 0 EGADMP COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)ccc1SC ZINC000277654877 455626170 /nfs/dbraw/zinc/62/61/70/455626170.db2.gz DXLCABSJSGSWMM-OAHLLOKOSA-N 2 1 338.517 3.008 20 0 EGADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCC2(C)C)c1)C1CCOCC1 ZINC000284102451 455636897 /nfs/dbraw/zinc/63/68/97/455636897.db2.gz BUTKQISRUHKMPY-HXUWFJFHSA-N 2 1 346.515 3.454 20 0 EGADMP FCCCCC[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000284172454 455646118 /nfs/dbraw/zinc/64/61/18/455646118.db2.gz QUONTWKRSNHYLB-LJQANCHMSA-N 2 1 348.510 3.055 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCCC1 ZINC000247942637 455657834 /nfs/dbraw/zinc/65/78/34/455657834.db2.gz DEGUYTDEWZHXBX-OXJNMPFZSA-N 2 1 343.515 3.052 20 0 EGADMP C[C@H](c1nc(Cc2ccccc2)no1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247973581 455662823 /nfs/dbraw/zinc/66/28/23/455662823.db2.gz HNYGBNGLKWSOFF-BPQIPLTHSA-N 2 1 340.471 3.138 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000247970965 455663498 /nfs/dbraw/zinc/66/34/98/455663498.db2.gz JIBMHFKJXOKODE-VQIMIIECSA-N 2 1 329.532 3.406 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc(Br)c(F)c1)C2 ZINC000192779760 455691559 /nfs/dbraw/zinc/69/15/59/455691559.db2.gz ZTWNLKVQKCDRKM-YHWZYXNKSA-N 2 1 327.241 3.303 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc(Br)c(F)c1)C2 ZINC000192779760 455691564 /nfs/dbraw/zinc/69/15/64/455691564.db2.gz ZTWNLKVQKCDRKM-YHWZYXNKSA-N 2 1 327.241 3.303 20 0 EGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Br ZINC000192802176 455695888 /nfs/dbraw/zinc/69/58/88/455695888.db2.gz XNNHVKQZAZGMQV-AGUYFDCRSA-N 2 1 339.277 3.173 20 0 EGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000192802176 455695892 /nfs/dbraw/zinc/69/58/92/455695892.db2.gz XNNHVKQZAZGMQV-AGUYFDCRSA-N 2 1 339.277 3.173 20 0 EGADMP CC[C@@H]1CCCC[N@@H+]1CCN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000248202196 455698382 /nfs/dbraw/zinc/69/83/82/455698382.db2.gz ZBIZNBVZKXYVJD-NRSPTQNISA-N 2 1 344.547 3.146 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000248202196 455698387 /nfs/dbraw/zinc/69/83/87/455698387.db2.gz ZBIZNBVZKXYVJD-NRSPTQNISA-N 2 1 344.547 3.146 20 0 EGADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248202196 455698391 /nfs/dbraw/zinc/69/83/91/455698391.db2.gz ZBIZNBVZKXYVJD-NRSPTQNISA-N 2 1 344.547 3.146 20 0 EGADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248202196 455698396 /nfs/dbraw/zinc/69/83/96/455698396.db2.gz ZBIZNBVZKXYVJD-NRSPTQNISA-N 2 1 344.547 3.146 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000268867976 455715608 /nfs/dbraw/zinc/71/56/08/455715608.db2.gz AIZCMVXQSJJKFM-PMACEKPBSA-N 2 1 343.515 3.085 20 0 EGADMP CC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(OC)cc1 ZINC000268885350 455718528 /nfs/dbraw/zinc/71/85/28/455718528.db2.gz NTDMROPPXFYCBG-LJQANCHMSA-N 2 1 332.488 3.381 20 0 EGADMP C[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000248532036 455719200 /nfs/dbraw/zinc/71/92/00/455719200.db2.gz QEVQXANDZBTQRH-JKSUJKDBSA-N 2 1 338.517 3.005 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000248532036 455719205 /nfs/dbraw/zinc/71/92/05/455719205.db2.gz QEVQXANDZBTQRH-JKSUJKDBSA-N 2 1 338.517 3.005 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000248532036 455719211 /nfs/dbraw/zinc/71/92/11/455719211.db2.gz QEVQXANDZBTQRH-JKSUJKDBSA-N 2 1 338.517 3.005 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)cc1 ZINC000268919432 455730529 /nfs/dbraw/zinc/73/05/29/455730529.db2.gz JRHCVBKQMKJFQN-KXBFYZLASA-N 2 1 344.528 3.269 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC=C(c3ccccc3)C2)CC1 ZINC000284754428 455736928 /nfs/dbraw/zinc/73/69/28/455736928.db2.gz LTAPMRMBMZHCLR-UHFFFAOYSA-N 2 1 327.516 3.192 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@]2([NH+](C)C)CCSC2)CC[N@H+]1Cc1ccccc1 ZINC000268983914 455752301 /nfs/dbraw/zinc/75/23/01/455752301.db2.gz PRZANEUUQHZIKS-RLLQIKCJSA-N 2 1 347.572 3.066 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(N(C)C)CCSC2)CC[N@H+]1Cc1ccccc1 ZINC000268983914 455752313 /nfs/dbraw/zinc/75/23/13/455752313.db2.gz PRZANEUUQHZIKS-RLLQIKCJSA-N 2 1 347.572 3.066 20 0 EGADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H](C)C(C)C ZINC000194406797 455838249 /nfs/dbraw/zinc/83/82/49/455838249.db2.gz CJPUFBJEDFDAQS-SFHVURJKSA-N 2 1 345.531 3.265 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000186875601 455846951 /nfs/dbraw/zinc/84/69/51/455846951.db2.gz SYQWOZWHGTYIPU-DGQTTZFYSA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186875601 455846955 /nfs/dbraw/zinc/84/69/55/455846955.db2.gz SYQWOZWHGTYIPU-DGQTTZFYSA-N 3 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186875601 455846959 /nfs/dbraw/zinc/84/69/59/455846959.db2.gz SYQWOZWHGTYIPU-DGQTTZFYSA-N 3 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000186875601 455846963 /nfs/dbraw/zinc/84/69/63/455846963.db2.gz SYQWOZWHGTYIPU-DGQTTZFYSA-N 3 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000186875601 455846964 /nfs/dbraw/zinc/84/69/64/455846964.db2.gz SYQWOZWHGTYIPU-DGQTTZFYSA-N 3 1 329.532 3.215 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@]3(CCN(CC[NH+]4CCCCC4)C3)C2)cc1 ZINC000285480222 455854550 /nfs/dbraw/zinc/85/45/50/455854550.db2.gz IBTFXIIJODXWJS-NRFANRHFSA-N 2 1 327.516 3.070 20 0 EGADMP C[C@H]([NH2+]Cc1cnc(N(C)C)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272194161 455873315 /nfs/dbraw/zinc/87/33/15/455873315.db2.gz NDXHEQIQWBCHFU-RDJZCZTQSA-N 2 1 344.528 3.209 20 0 EGADMP C[C@H]([NH2+]Cc1cnc(N(C)C)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272194161 455873317 /nfs/dbraw/zinc/87/33/17/455873317.db2.gz NDXHEQIQWBCHFU-RDJZCZTQSA-N 2 1 344.528 3.209 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000285604798 455880554 /nfs/dbraw/zinc/88/05/54/455880554.db2.gz WWGPVAGRNIGUOA-GOSISDBHSA-N 2 1 334.504 3.115 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C)c1OC ZINC000285604267 455880872 /nfs/dbraw/zinc/88/08/72/455880872.db2.gz JWQQSJCEMBCMMU-GOEBONIOSA-N 2 1 332.488 3.017 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272332334 455916448 /nfs/dbraw/zinc/91/64/48/455916448.db2.gz NEORSPMJMRHIHI-GJYPPUQNSA-N 2 1 326.488 3.290 20 0 EGADMP FC(F)(F)COc1cccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000280320056 455946312 /nfs/dbraw/zinc/94/63/12/455946312.db2.gz QGJMGHRXWPQLSL-HZPDHXFCSA-N 2 1 342.405 3.387 20 0 EGADMP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000296506280 455958751 /nfs/dbraw/zinc/95/87/51/455958751.db2.gz PHLBJEHNKPGDRT-CDJZJNNCSA-N 2 1 342.527 3.428 20 0 EGADMP Clc1ccc(O[C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000261914728 455970372 /nfs/dbraw/zinc/97/03/72/455970372.db2.gz JTNBOHYETIZIHL-JSGCOSHPSA-N 2 1 329.271 3.446 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CCC[C@@H](C[NH3+])C3)CCC2)c1 ZINC000262094927 455997319 /nfs/dbraw/zinc/99/73/19/455997319.db2.gz HSJGQAZUUOAQDT-SFHVURJKSA-N 2 1 332.488 3.053 20 0 EGADMP COC(=O)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1Cl ZINC000296744623 456026621 /nfs/dbraw/zinc/02/66/21/456026621.db2.gz JZLILWIQOSLUAP-WMLDXEAASA-N 2 1 336.863 3.043 20 0 EGADMP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272677534 456035875 /nfs/dbraw/zinc/03/58/75/456035875.db2.gz MFZKMMUCMDWRJZ-KXJGTOPRSA-N 2 1 348.556 3.034 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C[NH3+] ZINC000262449846 456036982 /nfs/dbraw/zinc/03/69/82/456036982.db2.gz HSFPDOUXNXQPSX-VXGBXAGGSA-N 2 1 344.286 3.239 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000270842229 456051782 /nfs/dbraw/zinc/05/17/82/456051782.db2.gz VTUIYPCHGYGMOJ-SEONNTABSA-N 2 1 328.500 3.231 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000270842229 456051785 /nfs/dbraw/zinc/05/17/85/456051785.db2.gz VTUIYPCHGYGMOJ-SEONNTABSA-N 2 1 328.500 3.231 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000270842229 456051788 /nfs/dbraw/zinc/05/17/88/456051788.db2.gz VTUIYPCHGYGMOJ-SEONNTABSA-N 2 1 328.500 3.231 20 0 EGADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])c2ccc(C)cc2)C1 ZINC000262680533 456052743 /nfs/dbraw/zinc/05/27/43/456052743.db2.gz VWERFFTVPITBHI-FUHWJXTLSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])c2ccc(C)cc2)C1 ZINC000262680533 456052746 /nfs/dbraw/zinc/05/27/46/456052746.db2.gz VWERFFTVPITBHI-FUHWJXTLSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000262710834 456054711 /nfs/dbraw/zinc/05/47/11/456054711.db2.gz QHCPRYITSRONFC-OXJNMPFZSA-N 2 1 331.504 3.195 20 0 EGADMP NC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000332512109 456085563 /nfs/dbraw/zinc/08/55/63/456085563.db2.gz DXORGCFMASRVSV-IEBWSBKVSA-N 2 1 329.488 3.377 20 0 EGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cscn1 ZINC000271064102 456116642 /nfs/dbraw/zinc/11/66/42/456116642.db2.gz CRNHGYWYYDFPPW-LPHOPBHVSA-N 2 1 344.528 3.173 20 0 EGADMP c1ccc(CSCC[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000281078340 456127577 /nfs/dbraw/zinc/12/75/77/456127577.db2.gz JAZMAWVFGJZIBU-UHFFFAOYSA-N 2 1 334.529 3.154 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCCCOC)c2)C1 ZINC000271167916 456151078 /nfs/dbraw/zinc/15/10/78/456151078.db2.gz CJUDFDQRVBXNRG-LJQANCHMSA-N 2 1 334.504 3.266 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCCCOC)c2)C1 ZINC000271167916 456151083 /nfs/dbraw/zinc/15/10/83/456151083.db2.gz CJUDFDQRVBXNRG-LJQANCHMSA-N 2 1 334.504 3.266 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000271167916 456151088 /nfs/dbraw/zinc/15/10/88/456151088.db2.gz CJUDFDQRVBXNRG-LJQANCHMSA-N 2 1 334.504 3.266 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000271167916 456151090 /nfs/dbraw/zinc/15/10/90/456151090.db2.gz CJUDFDQRVBXNRG-LJQANCHMSA-N 2 1 334.504 3.266 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000236687057 456169349 /nfs/dbraw/zinc/16/93/49/456169349.db2.gz PPNUZZUELYOKIC-KRWDZBQOSA-N 2 1 345.531 3.442 20 0 EGADMP C[C@@H](NCc1ncccc1N(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289966751 456198938 /nfs/dbraw/zinc/19/89/38/456198938.db2.gz XEQFXEKMJMDEPC-MJGOQNOKSA-N 2 1 338.499 3.148 20 0 EGADMP CN(C(=O)OC(C)(C)C)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000189018609 456202391 /nfs/dbraw/zinc/20/23/91/456202391.db2.gz BBDIKOOWEIMEGN-UHFFFAOYSA-N 2 1 339.524 3.194 20 0 EGADMP CCOc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OCC ZINC000236946554 456207303 /nfs/dbraw/zinc/20/73/03/456207303.db2.gz JPZUYSBBYAFNNU-OAHLLOKOSA-N 2 1 331.460 3.415 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000290099354 456240038 /nfs/dbraw/zinc/24/00/38/456240038.db2.gz HWZRFKPYCLLQND-GIVPXCGWSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000290099354 456240043 /nfs/dbraw/zinc/24/00/43/456240043.db2.gz HWZRFKPYCLLQND-GIVPXCGWSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000290099354 456240046 /nfs/dbraw/zinc/24/00/46/456240046.db2.gz HWZRFKPYCLLQND-GIVPXCGWSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000290099354 456240053 /nfs/dbraw/zinc/24/00/53/456240053.db2.gz HWZRFKPYCLLQND-GIVPXCGWSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000290099354 456240056 /nfs/dbraw/zinc/24/00/56/456240056.db2.gz HWZRFKPYCLLQND-GIVPXCGWSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000290099354 456240061 /nfs/dbraw/zinc/24/00/61/456240061.db2.gz HWZRFKPYCLLQND-GIVPXCGWSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000290099354 456240065 /nfs/dbraw/zinc/24/00/65/456240065.db2.gz HWZRFKPYCLLQND-GIVPXCGWSA-N 3 1 329.532 3.361 20 0 EGADMP Cc1cc(C[NH2+]C2CC[NH+](C)CC2)cc(C)c1OCc1ccccn1 ZINC000237168086 456241507 /nfs/dbraw/zinc/24/15/07/456241507.db2.gz HPYBBBPJCPDIDX-UHFFFAOYSA-N 2 1 339.483 3.461 20 0 EGADMP CC(C)c1nc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(N(C)C)n1 ZINC000302061873 456277653 /nfs/dbraw/zinc/27/76/53/456277653.db2.gz UDINRCUCSRUKIT-HUUCEWRRSA-N 2 1 346.523 3.126 20 0 EGADMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340171434 456287003 /nfs/dbraw/zinc/28/70/03/456287003.db2.gz DTTDWEVGGBAWSG-QUCCMNQESA-N 2 1 326.488 3.005 20 0 EGADMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340171434 456287005 /nfs/dbraw/zinc/28/70/05/456287005.db2.gz DTTDWEVGGBAWSG-QUCCMNQESA-N 2 1 326.488 3.005 20 0 EGADMP C[C@@H]([NH2+]C(C)(C)CNCc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352765060 456287336 /nfs/dbraw/zinc/28/73/36/456287336.db2.gz IQRXUNYJVMHNDF-OAHLLOKOSA-N 2 1 346.544 3.424 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCc1ncc(C[NH+](C)C)s1 ZINC000352765428 456287600 /nfs/dbraw/zinc/28/76/00/456287600.db2.gz KKJPTPWQRNCFSF-DOTOQJQBSA-N 2 1 338.565 3.195 20 0 EGADMP CCC(CC)[C@@H](CNCc1ncc(C[NH+](C)C)s1)[NH+]1CCCC1 ZINC000352778104 456298085 /nfs/dbraw/zinc/29/80/85/456298085.db2.gz FPTNDGGNWJWQRM-QGZVFWFLSA-N 2 1 338.565 3.195 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352783310 456303239 /nfs/dbraw/zinc/30/32/39/456303239.db2.gz XQJWYFCKRANIKW-HUUCEWRRSA-N 2 1 338.565 3.051 20 0 EGADMP COC1CCC([NH+](C)C/C=C/C[N@H+](C)C2CCC(OC)CC2)CC1 ZINC000340194534 456305957 /nfs/dbraw/zinc/30/59/57/456305957.db2.gz LQAZZLPOAXBWEN-AATRIKPKSA-N 2 1 338.536 3.321 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000297860942 456311300 /nfs/dbraw/zinc/31/13/00/456311300.db2.gz PCORYGMUKAQZAW-UHFFFAOYSA-N 2 1 332.517 3.355 20 0 EGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000297967933 456333793 /nfs/dbraw/zinc/33/37/93/456333793.db2.gz ZRABLEAYVXMPAK-IEBWSBKVSA-N 2 1 346.544 3.471 20 0 EGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000297967933 456333798 /nfs/dbraw/zinc/33/37/98/456333798.db2.gz ZRABLEAYVXMPAK-IEBWSBKVSA-N 2 1 346.544 3.471 20 0 EGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000297967946 456334572 /nfs/dbraw/zinc/33/45/72/456334572.db2.gz ZRABLEAYVXMPAK-PKOBYXMFSA-N 2 1 346.544 3.471 20 0 EGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000297967946 456334577 /nfs/dbraw/zinc/33/45/77/456334577.db2.gz ZRABLEAYVXMPAK-PKOBYXMFSA-N 2 1 346.544 3.471 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000340244452 456337893 /nfs/dbraw/zinc/33/78/93/456337893.db2.gz AMJWOCWQYIZFDS-WOJBJXKFSA-N 2 1 326.488 3.397 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000297994814 456339347 /nfs/dbraw/zinc/33/93/47/456339347.db2.gz YZKPFIRONYEMPH-RBUKOAKNSA-N 2 1 345.531 3.075 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000297994814 456339351 /nfs/dbraw/zinc/33/93/51/456339351.db2.gz YZKPFIRONYEMPH-RBUKOAKNSA-N 2 1 345.531 3.075 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c(C4CC4)nc4sccn34)C2)CC1 ZINC000290484537 456340654 /nfs/dbraw/zinc/34/06/54/456340654.db2.gz OEBNQVILGIOKEU-MRXNPFEDSA-N 2 1 344.528 3.437 20 0 EGADMP CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000347749141 456348173 /nfs/dbraw/zinc/34/81/73/456348173.db2.gz ABBMNZALYGPYJI-WOJBJXKFSA-N 2 1 345.531 3.087 20 0 EGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000347776817 456362757 /nfs/dbraw/zinc/36/27/57/456362757.db2.gz LXLPPYHOSJRUCE-FQEVSTJZSA-N 2 1 343.515 3.277 20 0 EGADMP c1csc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000352891695 456394481 /nfs/dbraw/zinc/39/44/81/456394481.db2.gz DUKHMKCCKLZRDF-IBGZPJMESA-N 2 1 341.524 3.140 20 0 EGADMP c1csc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000352891695 456394486 /nfs/dbraw/zinc/39/44/86/456394486.db2.gz DUKHMKCCKLZRDF-IBGZPJMESA-N 2 1 341.524 3.140 20 0 EGADMP COc1cccc(C2(C[NH2+]Cc3ncc(C[NH+](C)C)s3)CC2)c1 ZINC000352910750 456407768 /nfs/dbraw/zinc/40/77/68/456407768.db2.gz ZNKVVXIBKFTBNR-UHFFFAOYSA-N 2 1 331.485 3.035 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H]1SC ZINC000298269736 456410811 /nfs/dbraw/zinc/41/08/11/456410811.db2.gz GFLSOZNYDYVMPW-WCIQWLHISA-N 2 1 348.556 3.050 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000276222832 456417460 /nfs/dbraw/zinc/41/74/60/456417460.db2.gz MFNOVDJHMLPEPJ-QUCCMNQESA-N 2 1 346.515 3.294 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000276222832 456417467 /nfs/dbraw/zinc/41/74/67/456417467.db2.gz MFNOVDJHMLPEPJ-QUCCMNQESA-N 2 1 346.515 3.294 20 0 EGADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000276323980 456445710 /nfs/dbraw/zinc/44/57/10/456445710.db2.gz PIABCXBQMFYWKJ-UHFFFAOYSA-N 2 1 335.467 3.208 20 0 EGADMP COC[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000290847800 456445795 /nfs/dbraw/zinc/44/57/95/456445795.db2.gz ZGFVKQXVHMMVSQ-YJBOKZPZSA-N 2 1 340.895 3.118 20 0 EGADMP COC[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000290847800 456445800 /nfs/dbraw/zinc/44/58/00/456445800.db2.gz ZGFVKQXVHMMVSQ-YJBOKZPZSA-N 2 1 340.895 3.118 20 0 EGADMP C[C@@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccncc1F ZINC000340511043 456500747 /nfs/dbraw/zinc/50/07/47/456500747.db2.gz YGXXZQIGWLGUSD-AEFFLSMTSA-N 2 1 343.446 3.162 20 0 EGADMP C[C@H]1C[C@@H](N(C)c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000348228414 456551237 /nfs/dbraw/zinc/55/12/37/456551237.db2.gz QLQGYKSJYNKSAN-RDJZCZTQSA-N 2 1 335.455 3.447 20 0 EGADMP C[C@H]1C[C@@H](N(C)c2[nH+]cnc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000348228414 456551243 /nfs/dbraw/zinc/55/12/43/456551243.db2.gz QLQGYKSJYNKSAN-RDJZCZTQSA-N 2 1 335.455 3.447 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCCC[NH+]1CCCC[C@H]1C)c1ccccc1 ZINC000340599589 456559774 /nfs/dbraw/zinc/55/97/74/456559774.db2.gz SNJHANJZZVDURK-QUCCMNQESA-N 2 1 345.531 3.450 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000340599589 456559782 /nfs/dbraw/zinc/55/97/82/456559782.db2.gz SNJHANJZZVDURK-QUCCMNQESA-N 2 1 345.531 3.450 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000340599589 456559788 /nfs/dbraw/zinc/55/97/88/456559788.db2.gz SNJHANJZZVDURK-QUCCMNQESA-N 2 1 345.531 3.450 20 0 EGADMP COCc1ccccc1/C=C(/C)C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000353208472 456560661 /nfs/dbraw/zinc/56/06/61/456560661.db2.gz XCQYSOMTNDOJTB-BSKAQADGSA-N 2 1 346.515 3.327 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC(F)F ZINC000282612853 456568230 /nfs/dbraw/zinc/56/82/30/456568230.db2.gz ZBHKANANGPRIAI-INIZCTEOSA-N 2 1 326.431 3.158 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC(F)F ZINC000282612853 456568234 /nfs/dbraw/zinc/56/82/34/456568234.db2.gz ZBHKANANGPRIAI-INIZCTEOSA-N 2 1 326.431 3.158 20 0 EGADMP Cc1cc(N2CCC([NH2+]C[C@H]3C[C@@H]3c3ccccc3)CC2)nc(C)[nH+]1 ZINC000348250551 456569806 /nfs/dbraw/zinc/56/98/06/456569806.db2.gz WYQNTIPUEMOGKH-UYAOXDASSA-N 2 1 336.483 3.456 20 0 EGADMP C[N@@H+](CCCC1CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000310529335 456583139 /nfs/dbraw/zinc/58/31/39/456583139.db2.gz PNJWRPRXURBOOS-UHFFFAOYSA-N 2 1 329.532 3.363 20 0 EGADMP C[N@H+](CCCC1CC[NH2+]CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000310529335 456583143 /nfs/dbraw/zinc/58/31/43/456583143.db2.gz PNJWRPRXURBOOS-UHFFFAOYSA-N 3 1 329.532 3.363 20 0 EGADMP C[N@@H+](CCCC1CC[NH2+]CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000310529335 456583146 /nfs/dbraw/zinc/58/31/46/456583146.db2.gz PNJWRPRXURBOOS-UHFFFAOYSA-N 3 1 329.532 3.363 20 0 EGADMP COC1(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCCC1 ZINC000319744771 456623056 /nfs/dbraw/zinc/62/30/56/456623056.db2.gz WOPTVOAJBGUBNA-FQEVSTJZSA-N 2 1 346.515 3.216 20 0 EGADMP COC1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCCC1 ZINC000319744771 456623062 /nfs/dbraw/zinc/62/30/62/456623062.db2.gz WOPTVOAJBGUBNA-FQEVSTJZSA-N 2 1 346.515 3.216 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)[NH+](C)C)cc1 ZINC000348328795 456626739 /nfs/dbraw/zinc/62/67/39/456626739.db2.gz QDGLKHYNVDDPFH-ZJOUEHCJSA-N 2 1 345.531 3.293 20 0 EGADMP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000348328795 456626742 /nfs/dbraw/zinc/62/67/42/456626742.db2.gz QDGLKHYNVDDPFH-ZJOUEHCJSA-N 2 1 345.531 3.293 20 0 EGADMP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000348328795 456626746 /nfs/dbraw/zinc/62/67/46/456626746.db2.gz QDGLKHYNVDDPFH-ZJOUEHCJSA-N 2 1 345.531 3.293 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cnn(Cc2ccccc2)c1 ZINC000348351346 456642692 /nfs/dbraw/zinc/64/26/92/456642692.db2.gz XWEHVWLTMBYWRN-XLIONFOSSA-N 2 1 326.488 3.456 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cnn(Cc2ccccc2)c1 ZINC000348351346 456642694 /nfs/dbraw/zinc/64/26/94/456642694.db2.gz XWEHVWLTMBYWRN-XLIONFOSSA-N 2 1 326.488 3.456 20 0 EGADMP C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@]1(C)CC[NH2+]C1 ZINC000340712509 456643663 /nfs/dbraw/zinc/64/36/63/456643663.db2.gz OVQSXZOTZCKRBH-LJQANCHMSA-N 2 1 330.451 3.080 20 0 EGADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccccc2Cl)n1 ZINC000343488254 456653726 /nfs/dbraw/zinc/65/37/26/456653726.db2.gz OALDPDXJCYQKTF-CVEARBPZSA-N 2 1 344.890 3.457 20 0 EGADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2ccccc2Cl)n1 ZINC000343488254 456653728 /nfs/dbraw/zinc/65/37/28/456653728.db2.gz OALDPDXJCYQKTF-CVEARBPZSA-N 2 1 344.890 3.457 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277129353 456691766 /nfs/dbraw/zinc/69/17/66/456691766.db2.gz GJUWOSFXHOYOKP-HXUWFJFHSA-N 2 1 345.531 3.475 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000326284940 456692221 /nfs/dbraw/zinc/69/22/21/456692221.db2.gz YVIIKAVCICXDLJ-LJQANCHMSA-N 2 1 337.552 3.255 20 0 EGADMP Cc1noc(C[C@H]([NH2+]CCC[NH+]2CCCCC2)c2ccccc2)n1 ZINC000277142704 456696017 /nfs/dbraw/zinc/69/60/17/456696017.db2.gz JCKKSYKDMUEMBM-SFHVURJKSA-N 2 1 328.460 3.127 20 0 EGADMP C[N@H+](Cc1ccccc1)C1CN(c2cc[nH+]cc2Br)C1 ZINC000343603143 456736156 /nfs/dbraw/zinc/73/61/56/456736156.db2.gz HOBGUJRLDVZHQU-UHFFFAOYSA-N 2 1 332.245 3.165 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CN(c2cc[nH+]cc2Br)C1 ZINC000343603143 456736158 /nfs/dbraw/zinc/73/61/58/456736158.db2.gz HOBGUJRLDVZHQU-UHFFFAOYSA-N 2 1 332.245 3.165 20 0 EGADMP CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000340878294 456736179 /nfs/dbraw/zinc/73/61/79/456736179.db2.gz KKBDMZBPWGUMPX-SFHVURJKSA-N 2 1 348.535 3.103 20 0 EGADMP CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000340878294 456736185 /nfs/dbraw/zinc/73/61/85/456736185.db2.gz KKBDMZBPWGUMPX-SFHVURJKSA-N 2 1 348.535 3.103 20 0 EGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000338417752 456805775 /nfs/dbraw/zinc/80/57/75/456805775.db2.gz FGOLRKVMXRFZEJ-UHFFFAOYSA-N 2 1 341.503 3.094 20 0 EGADMP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000338434432 456816920 /nfs/dbraw/zinc/81/69/20/456816920.db2.gz BMFRTFAFXQCDEW-ROUUACIJSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H](C)C[NH+](C)C)c1 ZINC000348797263 456860051 /nfs/dbraw/zinc/86/00/51/456860051.db2.gz GNLWSVCDKCSDCO-OAHLLOKOSA-N 2 1 343.475 3.126 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn(-c3ccccc3)nc2C)C[C@@H]1C ZINC000353765977 456896690 /nfs/dbraw/zinc/89/66/90/456896690.db2.gz FRLVNKRXXOPFPA-OXJNMPFZSA-N 2 1 326.488 3.485 20 0 EGADMP COc1ccc2nc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3C)sc2c1 ZINC000353777102 456902433 /nfs/dbraw/zinc/90/24/33/456902433.db2.gz LKEXGFSDPKXQIV-LBPRGKRZSA-N 2 1 330.457 3.236 20 0 EGADMP Cc1cccc(N2CCC([NH2+][C@@H](C)Cc3ccn(C(C)C)n3)CC2)[nH+]1 ZINC000345050697 456909760 /nfs/dbraw/zinc/90/97/60/456909760.db2.gz OEULHLHGBZCUBL-KRWDZBQOSA-N 2 1 341.503 3.357 20 0 EGADMP C[C@H]1CCc2nc(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)sc2C1 ZINC000349199078 456911826 /nfs/dbraw/zinc/91/18/26/456911826.db2.gz XYWBMGVCGAIWLY-GOEBONIOSA-N 2 1 333.545 3.432 20 0 EGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000339069748 456925936 /nfs/dbraw/zinc/92/59/36/456925936.db2.gz VIBIGKPVYAEQRK-VQTJNVASSA-N 2 1 327.516 3.040 20 0 EGADMP CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000339069748 456925939 /nfs/dbraw/zinc/92/59/39/456925939.db2.gz VIBIGKPVYAEQRK-VQTJNVASSA-N 2 1 327.516 3.040 20 0 EGADMP CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000339069748 456925944 /nfs/dbraw/zinc/92/59/44/456925944.db2.gz VIBIGKPVYAEQRK-VQTJNVASSA-N 2 1 327.516 3.040 20 0 EGADMP CC(C)(CN[C@H]1CC[NH+]2CCC[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000339069748 456925947 /nfs/dbraw/zinc/92/59/47/456925947.db2.gz VIBIGKPVYAEQRK-VQTJNVASSA-N 2 1 327.516 3.040 20 0 EGADMP CC(C)(CN[C@H]1CC[NH+]2CCC[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000339069748 456925951 /nfs/dbraw/zinc/92/59/51/456925951.db2.gz VIBIGKPVYAEQRK-VQTJNVASSA-N 2 1 327.516 3.040 20 0 EGADMP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccsc1 ZINC000349384803 456959739 /nfs/dbraw/zinc/95/97/39/456959739.db2.gz XVVDJPJXVSDZLC-NBYUQASBSA-N 2 1 342.508 3.282 20 0 EGADMP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccsc1 ZINC000349384803 456959742 /nfs/dbraw/zinc/95/97/42/456959742.db2.gz XVVDJPJXVSDZLC-NBYUQASBSA-N 2 1 342.508 3.282 20 0 EGADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)cc2)n1 ZINC000341907382 456995478 /nfs/dbraw/zinc/99/54/78/456995478.db2.gz ZYDUNVWEYXWIGK-QLVMHMETSA-N 2 1 340.515 3.350 20 0 EGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000341910061 456996021 /nfs/dbraw/zinc/99/60/21/456996021.db2.gz QOLOSKNFYQZEBT-IAGOWNOFSA-N 2 1 326.525 3.013 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000345801606 456996564 /nfs/dbraw/zinc/99/65/64/456996564.db2.gz MVHSOLDTYDATMC-UHFFFAOYSA-N 2 1 348.535 3.367 20 0 EGADMP Cc1ccoc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000354010049 457005499 /nfs/dbraw/zinc/00/54/99/457005499.db2.gz MDFIFPZURZTFEB-UHFFFAOYSA-N 2 1 333.520 3.216 20 0 EGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000339233444 457007161 /nfs/dbraw/zinc/00/71/61/457007161.db2.gz CFGWOGWEQGISNF-BPQIPLTHSA-N 2 1 335.492 3.319 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359288804 457071695 /nfs/dbraw/zinc/07/16/95/457071695.db2.gz NHSBWEGOSYJICP-FZKQIMNGSA-N 2 1 329.444 3.304 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc(N3CCCCC3)ncn2)C1 ZINC000359468363 457087012 /nfs/dbraw/zinc/08/70/12/457087012.db2.gz VNVOYUMWXNYULN-FGTMMUONSA-N 2 1 343.519 3.309 20 0 EGADMP CC(C)OCC[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000349885337 457093517 /nfs/dbraw/zinc/09/35/17/457093517.db2.gz SHMULHSBZINPOQ-NRFANRHFSA-N 2 1 348.531 3.006 20 0 EGADMP OCCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCC[NH2+]C1 ZINC000339414590 457100595 /nfs/dbraw/zinc/10/05/95/457100595.db2.gz FVLREKUKSBKFEJ-AWEZNQCLSA-N 2 1 331.287 3.177 20 0 EGADMP OCCC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCC[NH2+]C1 ZINC000339414590 457100600 /nfs/dbraw/zinc/10/06/00/457100600.db2.gz FVLREKUKSBKFEJ-AWEZNQCLSA-N 2 1 331.287 3.177 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OCc4cccnc4)cc3)C[C@H]21 ZINC000342091849 457103291 /nfs/dbraw/zinc/10/32/91/457103291.db2.gz CXRKVVKJGAACOX-CEWLAPEOSA-N 2 1 337.467 3.220 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3coc(-c4ccc(F)c(F)c4)n3)C[C@H]21 ZINC000342115597 457116672 /nfs/dbraw/zinc/11/66/72/457116672.db2.gz XUYSDJQDEQNRDB-SUYBPPKGSA-N 2 1 333.382 3.179 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4ccc(F)c(F)c4)n3)C[C@H]21 ZINC000342115597 457116678 /nfs/dbraw/zinc/11/66/78/457116678.db2.gz XUYSDJQDEQNRDB-SUYBPPKGSA-N 2 1 333.382 3.179 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@@H]1C ZINC000354219776 457137724 /nfs/dbraw/zinc/13/77/24/457137724.db2.gz DICVXNTWQPQUMK-ZWKOTPCHSA-N 2 1 331.504 3.355 20 0 EGADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000354383740 457190707 /nfs/dbraw/zinc/19/07/07/457190707.db2.gz GCVRMSYIKMSDRR-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000354383740 457190712 /nfs/dbraw/zinc/19/07/12/457190712.db2.gz GCVRMSYIKMSDRR-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000354383740 457190713 /nfs/dbraw/zinc/19/07/13/457190713.db2.gz GCVRMSYIKMSDRR-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000354383740 457190719 /nfs/dbraw/zinc/19/07/19/457190719.db2.gz GCVRMSYIKMSDRR-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000331639336 457222333 /nfs/dbraw/zinc/22/23/33/457222333.db2.gz IDSCSQYFDSWRDE-YJBOKZPZSA-N 2 1 333.451 3.430 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H](C)C2 ZINC000331728642 457241263 /nfs/dbraw/zinc/24/12/63/457241263.db2.gz ZPUBRVUPGDMKJM-KVSKMBFKSA-N 2 1 329.488 3.455 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)N2CCCCC2)CC1)CC1CC1 ZINC000357087434 457315462 /nfs/dbraw/zinc/31/54/62/457315462.db2.gz PWZBCJXEENYTHT-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000351853939 457321406 /nfs/dbraw/zinc/32/14/06/457321406.db2.gz PSILTWKXJVARNK-IRXDYDNUSA-N 2 1 335.536 3.150 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000351853939 457321409 /nfs/dbraw/zinc/32/14/09/457321409.db2.gz PSILTWKXJVARNK-IRXDYDNUSA-N 2 1 335.536 3.150 20 0 EGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000352512370 457429691 /nfs/dbraw/zinc/42/96/91/457429691.db2.gz XDDHOIWFLBWXDW-HNNXBMFYSA-N 2 1 334.851 3.136 20 0 EGADMP C[C@](O)(C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000393886141 457470168 /nfs/dbraw/zinc/47/01/68/457470168.db2.gz RXDTVSVVZPHQSA-IRXDYDNUSA-N 2 1 344.421 3.192 20 0 EGADMP CC(C)(C)OC(=O)NC1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000393906088 457470175 /nfs/dbraw/zinc/47/01/75/457470175.db2.gz NLDIVPXROVWZIS-GQGLESIBSA-N 2 1 337.508 3.039 20 0 EGADMP CC(C)(C)OC(=O)NC1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000393906088 457470176 /nfs/dbraw/zinc/47/01/76/457470176.db2.gz NLDIVPXROVWZIS-GQGLESIBSA-N 2 1 337.508 3.039 20 0 EGADMP Cc1cc(C)cc(NC(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000374075653 457470708 /nfs/dbraw/zinc/47/07/08/457470708.db2.gz VVSYKTXRDMLHJU-UHFFFAOYSA-N 2 1 329.488 3.050 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)cc1)C(C)C ZINC000357384572 457484708 /nfs/dbraw/zinc/48/47/08/457484708.db2.gz FKXJMEFYQZSBBW-LPHOPBHVSA-N 2 1 331.504 3.129 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1OC(F)F ZINC000397295136 457486652 /nfs/dbraw/zinc/48/66/52/457486652.db2.gz ZGVRJRJCIRIDEW-SCRDCRAPSA-N 2 1 328.403 3.102 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400385222 457513912 /nfs/dbraw/zinc/51/39/12/457513912.db2.gz YBEGALRZTKCYGJ-VYDXJSESSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400385222 457513915 /nfs/dbraw/zinc/51/39/15/457513915.db2.gz YBEGALRZTKCYGJ-VYDXJSESSA-N 2 1 339.524 3.094 20 0 EGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccs1 ZINC000364189300 457518624 /nfs/dbraw/zinc/51/86/24/457518624.db2.gz ZLAGPESKVRESMR-UHFFFAOYSA-N 2 1 349.544 3.016 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000401022419 457521785 /nfs/dbraw/zinc/52/17/85/457521785.db2.gz YIBOWAVWNDYZEA-CIAFKFPVSA-N 3 1 341.543 3.266 20 0 EGADMP CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000347598008 457538745 /nfs/dbraw/zinc/53/87/45/457538745.db2.gz XFZASMBYMDGFDW-IEBWSBKVSA-N 2 1 345.531 3.054 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c2ccccc2C1 ZINC000361049063 457542991 /nfs/dbraw/zinc/54/29/91/457542991.db2.gz BEFXRICFOXZHSI-UWJYYQICSA-N 2 1 343.515 3.334 20 0 EGADMP COC(=O)[C@@H](CC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000425423051 457548644 /nfs/dbraw/zinc/54/86/44/457548644.db2.gz NUCWVUFTLHJWSS-MOPGFXCFSA-N 2 1 341.455 3.003 20 0 EGADMP COC(=O)[C@@H](CC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000425423051 457548647 /nfs/dbraw/zinc/54/86/47/457548647.db2.gz NUCWVUFTLHJWSS-MOPGFXCFSA-N 2 1 341.455 3.003 20 0 EGADMP CC[C@H](NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1OC(F)F ZINC000370632486 457687091 /nfs/dbraw/zinc/68/70/91/457687091.db2.gz BDQSWZLLFPLMKD-FMKPAKJESA-N 2 1 340.414 3.192 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1OC(F)F ZINC000370632486 457687093 /nfs/dbraw/zinc/68/70/93/457687093.db2.gz BDQSWZLLFPLMKD-FMKPAKJESA-N 2 1 340.414 3.192 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)CC[N@@H+]1C ZINC000370654877 457692185 /nfs/dbraw/zinc/69/21/85/457692185.db2.gz YIOWAFUDZUUBST-GOEBONIOSA-N 2 1 344.528 3.337 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)CC[N@H+]1C ZINC000370654877 457692187 /nfs/dbraw/zinc/69/21/87/457692187.db2.gz YIOWAFUDZUUBST-GOEBONIOSA-N 2 1 344.528 3.337 20 0 EGADMP FC(F)(F)c1ccc(OCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000357844601 457709542 /nfs/dbraw/zinc/70/95/42/457709542.db2.gz GDMYVCQRIJSPSF-HUUCEWRRSA-N 2 1 343.393 3.086 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358011651 457738893 /nfs/dbraw/zinc/73/88/93/457738893.db2.gz GQPQIXKINPBXCB-WDYCEAGBSA-N 2 1 329.488 3.388 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358011651 457738895 /nfs/dbraw/zinc/73/88/95/457738895.db2.gz GQPQIXKINPBXCB-WDYCEAGBSA-N 2 1 329.488 3.388 20 0 EGADMP C[C@@H]1C[C@H](N[C@H](C(=O)Nc2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000358021334 457741826 /nfs/dbraw/zinc/74/18/26/457741826.db2.gz NKHTUCJRNOWLAH-AHRSYUTCSA-N 2 1 337.467 3.439 20 0 EGADMP C[N@H+](CCCc1ccsc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425973181 457750160 /nfs/dbraw/zinc/75/01/60/457750160.db2.gz GRWGHSGJLPMMKE-FQEVSTJZSA-N 2 1 344.524 3.250 20 0 EGADMP C[N@@H+](CCCc1ccsc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425973181 457750168 /nfs/dbraw/zinc/75/01/68/457750168.db2.gz GRWGHSGJLPMMKE-FQEVSTJZSA-N 2 1 344.524 3.250 20 0 EGADMP C[NH+](CCCc1ccsc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425973181 457750173 /nfs/dbraw/zinc/75/01/73/457750173.db2.gz GRWGHSGJLPMMKE-FQEVSTJZSA-N 2 1 344.524 3.250 20 0 EGADMP C[NH+](CCCc1ccsc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425973181 457750181 /nfs/dbraw/zinc/75/01/81/457750181.db2.gz GRWGHSGJLPMMKE-FQEVSTJZSA-N 2 1 344.524 3.250 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](SC)C2)[C@H](C)C1 ZINC000361523871 457769996 /nfs/dbraw/zinc/76/99/96/457769996.db2.gz HBIRCTAJMJCFQW-TVFCKZIOSA-N 2 1 328.566 3.387 20 0 EGADMP NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411220762 457832550 /nfs/dbraw/zinc/83/25/50/457832550.db2.gz SVEKILUFIPQZRJ-GOSISDBHSA-N 2 1 343.515 3.150 20 0 EGADMP COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411314932 457856322 /nfs/dbraw/zinc/85/63/22/457856322.db2.gz GFFNIWYCSNMQGQ-FQEVSTJZSA-N 2 1 330.472 3.058 20 0 EGADMP OC1(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCC1 ZINC000411334799 457858978 /nfs/dbraw/zinc/85/89/78/457858978.db2.gz ZHIANYCGVVQREU-UXHICEINSA-N 2 1 328.500 3.278 20 0 EGADMP OC1(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000411334799 457858987 /nfs/dbraw/zinc/85/89/87/457858987.db2.gz ZHIANYCGVVQREU-UXHICEINSA-N 2 1 328.500 3.278 20 0 EGADMP OC1(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000411334799 457858997 /nfs/dbraw/zinc/85/89/97/457858997.db2.gz ZHIANYCGVVQREU-UXHICEINSA-N 2 1 328.500 3.278 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000444177229 457864177 /nfs/dbraw/zinc/86/41/77/457864177.db2.gz TXMJCSYANMFKDG-INIZCTEOSA-N 2 1 335.467 3.269 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000444177229 457864184 /nfs/dbraw/zinc/86/41/84/457864184.db2.gz TXMJCSYANMFKDG-INIZCTEOSA-N 2 1 335.467 3.269 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000444177229 457864189 /nfs/dbraw/zinc/86/41/89/457864189.db2.gz TXMJCSYANMFKDG-INIZCTEOSA-N 2 1 335.467 3.269 20 0 EGADMP C[C@H]1CCC[N@@H+](CCNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411409416 457879229 /nfs/dbraw/zinc/87/92/29/457879229.db2.gz BDTAOPYKUAEMQQ-SFHVURJKSA-N 2 1 343.515 3.134 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000358248809 457886245 /nfs/dbraw/zinc/88/62/45/457886245.db2.gz IBIRECPCGKXGBI-JXFKEZNVSA-N 2 1 337.467 3.369 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000358248809 457886250 /nfs/dbraw/zinc/88/62/50/457886250.db2.gz IBIRECPCGKXGBI-JXFKEZNVSA-N 2 1 337.467 3.369 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000358257625 457892630 /nfs/dbraw/zinc/89/26/30/457892630.db2.gz SFSWIGIMHOYXBM-JXFKEZNVSA-N 2 1 326.440 3.196 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000358257625 457892634 /nfs/dbraw/zinc/89/26/34/457892634.db2.gz SFSWIGIMHOYXBM-JXFKEZNVSA-N 2 1 326.440 3.196 20 0 EGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000361885106 457929687 /nfs/dbraw/zinc/92/96/87/457929687.db2.gz HYCXBWXBXNDRNP-APWZRJJASA-N 2 1 330.497 3.344 20 0 EGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000361885106 457929691 /nfs/dbraw/zinc/92/96/91/457929691.db2.gz HYCXBWXBXNDRNP-APWZRJJASA-N 2 1 330.497 3.344 20 0 EGADMP CC(C)COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371472061 457949761 /nfs/dbraw/zinc/94/97/61/457949761.db2.gz XZBXOUSYQPXJEG-CEWLAPEOSA-N 2 1 346.515 3.405 20 0 EGADMP CC(C)COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371472061 457949768 /nfs/dbraw/zinc/94/97/68/457949768.db2.gz XZBXOUSYQPXJEG-CEWLAPEOSA-N 2 1 346.515 3.405 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc2c(c1)CC(C)(C)O2 ZINC000371471850 457950000 /nfs/dbraw/zinc/95/00/00/457950000.db2.gz XBJZIVFECYNMAO-WSTZPKSXSA-N 2 1 344.499 3.084 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc2c(c1)CC(C)(C)O2 ZINC000371471850 457950004 /nfs/dbraw/zinc/95/00/04/457950004.db2.gz XBJZIVFECYNMAO-WSTZPKSXSA-N 2 1 344.499 3.084 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2nc(C)c(C)s2)[C@@H](C)C1 ZINC000361944196 457971008 /nfs/dbraw/zinc/97/10/08/457971008.db2.gz GJUKNKYSTWPQEV-YOEHRIQHSA-N 2 1 339.549 3.029 20 0 EGADMP C[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000368935529 458067768 /nfs/dbraw/zinc/06/77/68/458067768.db2.gz ZXDZNMXILNETAV-UWVAXJGDSA-N 2 1 349.950 3.401 20 0 EGADMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000428047782 458072516 /nfs/dbraw/zinc/07/25/16/458072516.db2.gz ZUBHUUFPLWDLBB-QUCCMNQESA-N 2 1 349.478 3.366 20 0 EGADMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000428047782 458072526 /nfs/dbraw/zinc/07/25/26/458072526.db2.gz ZUBHUUFPLWDLBB-QUCCMNQESA-N 2 1 349.478 3.366 20 0 EGADMP C[C@H]1C[C@@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC[N@H+]1C ZINC000412133719 458102461 /nfs/dbraw/zinc/10/24/61/458102461.db2.gz RFILUYWTNBLABY-PXNSSMCTSA-N 2 1 343.515 3.227 20 0 EGADMP CCCc1nc(C)c(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000428249227 458107079 /nfs/dbraw/zinc/10/70/79/458107079.db2.gz XELMQBSNFDWNPE-IYBDPMFKSA-N 2 1 349.519 3.257 20 0 EGADMP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(Br)o3)C2)CC1 ZINC000369197004 458121213 /nfs/dbraw/zinc/12/12/13/458121213.db2.gz HHSIHZJKOAFADM-UHFFFAOYSA-N 2 1 327.266 3.350 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(Br)o3)C2)CC1 ZINC000369197004 458121221 /nfs/dbraw/zinc/12/12/21/458121221.db2.gz HHSIHZJKOAFADM-UHFFFAOYSA-N 2 1 327.266 3.350 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000435371396 458122753 /nfs/dbraw/zinc/12/27/53/458122753.db2.gz MRIIVZCCEUNAEG-CRAIPNDOSA-N 2 1 325.456 3.316 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000435379870 458129056 /nfs/dbraw/zinc/12/90/56/458129056.db2.gz KWQZBFRXPMHMRD-FXAWDEMLSA-N 2 1 339.483 3.447 20 0 EGADMP Cc1nc(COc2ccc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc2)cs1 ZINC000435391782 458135601 /nfs/dbraw/zinc/13/56/01/458135601.db2.gz UGBXKYHTKQBDDO-ZYSHUDEJSA-N 2 1 343.496 3.200 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000435395117 458135868 /nfs/dbraw/zinc/13/58/68/458135868.db2.gz RFQPQWWRYKCJOH-MRXNPFEDSA-N 2 1 325.456 3.189 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000435395117 458135875 /nfs/dbraw/zinc/13/58/75/458135875.db2.gz RFQPQWWRYKCJOH-MRXNPFEDSA-N 2 1 325.456 3.189 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000362389564 458145919 /nfs/dbraw/zinc/14/59/19/458145919.db2.gz AATWKXOKOANKBE-INIZCTEOSA-N 2 1 335.467 3.126 20 0 EGADMP C[N@@H+](Cc1ccc(OCc2cccnc2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435438617 458147868 /nfs/dbraw/zinc/14/78/68/458147868.db2.gz QREYGJNYQNDYLY-LJQANCHMSA-N 2 1 325.456 3.235 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000412307421 458162274 /nfs/dbraw/zinc/16/22/74/458162274.db2.gz HMVPVJPCPMPDSM-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP Fc1ccccc1OCC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435615671 458171605 /nfs/dbraw/zinc/17/16/05/458171605.db2.gz JTPMCCKGZIBWDC-GOSISDBHSA-N 2 1 343.446 3.244 20 0 EGADMP Fc1ccccc1OCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435615671 458171612 /nfs/dbraw/zinc/17/16/12/458171612.db2.gz JTPMCCKGZIBWDC-GOSISDBHSA-N 2 1 343.446 3.244 20 0 EGADMP CC[N@H+](CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000435630790 458178341 /nfs/dbraw/zinc/17/83/41/458178341.db2.gz YLWQEJDRGKTENE-PZJWPPBQSA-N 2 1 343.515 3.026 20 0 EGADMP CC[N@@H+](CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000435630790 458178350 /nfs/dbraw/zinc/17/83/50/458178350.db2.gz YLWQEJDRGKTENE-PZJWPPBQSA-N 2 1 343.515 3.026 20 0 EGADMP COC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C1CCCC1 ZINC000446755744 458225463 /nfs/dbraw/zinc/22/54/63/458225463.db2.gz YOWZSUBSKQHOSU-DYESRHJHSA-N 2 1 346.515 3.202 20 0 EGADMP COC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C1CCCC1 ZINC000446755744 458225470 /nfs/dbraw/zinc/22/54/70/458225470.db2.gz YOWZSUBSKQHOSU-DYESRHJHSA-N 2 1 346.515 3.202 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000436274998 458281465 /nfs/dbraw/zinc/28/14/65/458281465.db2.gz MUEJAUHBXWQTBJ-MRXNPFEDSA-N 2 1 331.485 3.154 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000436274998 458281472 /nfs/dbraw/zinc/28/14/72/458281472.db2.gz MUEJAUHBXWQTBJ-MRXNPFEDSA-N 2 1 331.485 3.154 20 0 EGADMP C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000447387845 458290981 /nfs/dbraw/zinc/29/09/81/458290981.db2.gz UYGORQNRDFYUFZ-PKOBYXMFSA-N 2 1 338.499 3.230 20 0 EGADMP C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000447387845 458290986 /nfs/dbraw/zinc/29/09/86/458290986.db2.gz UYGORQNRDFYUFZ-PKOBYXMFSA-N 2 1 338.499 3.230 20 0 EGADMP C[C@H]1CN(c2cccc3cnccc32)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000447387845 458290990 /nfs/dbraw/zinc/29/09/90/458290990.db2.gz UYGORQNRDFYUFZ-PKOBYXMFSA-N 2 1 338.499 3.230 20 0 EGADMP C[C@H]1CN(c2cccc3cnccc32)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000447387845 458290993 /nfs/dbraw/zinc/29/09/93/458290993.db2.gz UYGORQNRDFYUFZ-PKOBYXMFSA-N 2 1 338.499 3.230 20 0 EGADMP C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000447387844 458291059 /nfs/dbraw/zinc/29/10/59/458291059.db2.gz UYGORQNRDFYUFZ-MJGOQNOKSA-N 2 1 338.499 3.230 20 0 EGADMP C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000447387844 458291066 /nfs/dbraw/zinc/29/10/66/458291066.db2.gz UYGORQNRDFYUFZ-MJGOQNOKSA-N 2 1 338.499 3.230 20 0 EGADMP C[C@@H]1CN(c2cccc3cnccc32)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000447387844 458291070 /nfs/dbraw/zinc/29/10/70/458291070.db2.gz UYGORQNRDFYUFZ-MJGOQNOKSA-N 2 1 338.499 3.230 20 0 EGADMP C[C@@H]1CN(c2cccc3cnccc32)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000447387844 458291075 /nfs/dbraw/zinc/29/10/75/458291075.db2.gz UYGORQNRDFYUFZ-MJGOQNOKSA-N 2 1 338.499 3.230 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000429224655 458292352 /nfs/dbraw/zinc/29/23/52/458292352.db2.gz BJUHIUPTGGHQML-UHFFFAOYSA-N 2 1 342.487 3.413 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000429224655 458292356 /nfs/dbraw/zinc/29/23/56/458292356.db2.gz BJUHIUPTGGHQML-UHFFFAOYSA-N 2 1 342.487 3.413 20 0 EGADMP CC(C)[C@@H]1C[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2ccccc21 ZINC000447561282 458311842 /nfs/dbraw/zinc/31/18/42/458311842.db2.gz HHUSSULXCXMOKE-SFTDATJTSA-N 2 1 329.532 3.488 20 0 EGADMP C[NH+](C)[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1cccc(Cl)c1 ZINC000429323985 458317499 /nfs/dbraw/zinc/31/74/99/458317499.db2.gz YRZGXFTVIXKQCD-SFHVURJKSA-N 2 1 343.858 3.227 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2N2CCO[C@H](C)C2)C[C@@H]1C ZINC000459380789 458351162 /nfs/dbraw/zinc/35/11/62/458351162.db2.gz TYKIQXJXNDIUFG-NSHGMRRFSA-N 2 1 345.531 3.216 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2N2CCO[C@H](C)C2)C[C@@H]1C ZINC000459380789 458351166 /nfs/dbraw/zinc/35/11/66/458351166.db2.gz TYKIQXJXNDIUFG-NSHGMRRFSA-N 2 1 345.531 3.216 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2N2CCO[C@H](C)C2)C[C@@H]1C ZINC000459380789 458351173 /nfs/dbraw/zinc/35/11/73/458351173.db2.gz TYKIQXJXNDIUFG-NSHGMRRFSA-N 2 1 345.531 3.216 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2N2CCO[C@H](C)C2)C[C@@H]1C ZINC000459380789 458351175 /nfs/dbraw/zinc/35/11/75/458351175.db2.gz TYKIQXJXNDIUFG-NSHGMRRFSA-N 2 1 345.531 3.216 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@@H](CNCc3cnc(C4CC4)nc3)C2)cc1 ZINC000459403076 458359450 /nfs/dbraw/zinc/35/94/50/458359450.db2.gz KNIYILWFYFAREP-SFHVURJKSA-N 2 1 336.483 3.008 20 0 EGADMP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]Cc3cnc(C4CC4)nc3)C2)cc1 ZINC000459403076 458359455 /nfs/dbraw/zinc/35/94/55/458359455.db2.gz KNIYILWFYFAREP-SFHVURJKSA-N 2 1 336.483 3.008 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]Cc3cnc(C4CC4)nc3)C2)cc1 ZINC000459403076 458359460 /nfs/dbraw/zinc/35/94/60/458359460.db2.gz KNIYILWFYFAREP-SFHVURJKSA-N 2 1 336.483 3.008 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc2c(c1)CCCC2 ZINC000430235975 458426834 /nfs/dbraw/zinc/42/68/34/458426834.db2.gz GBKOXVLQRLPXEU-QHAWAJNXSA-N 2 1 328.500 3.249 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423436747 458432220 /nfs/dbraw/zinc/43/22/20/458432220.db2.gz UAZMGLPAXDITTI-QZTJIDSGSA-N 2 1 331.504 3.093 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](NCCC[NH2+]C3CC3)[C@H]3CCC[C@H]32)cc1 ZINC000423556098 458457168 /nfs/dbraw/zinc/45/71/68/458457168.db2.gz MKLHEHNYBKEYKJ-QHAWAJNXSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCC[NH2+]C3CC3)[C@H]3CCC[C@H]32)cc1 ZINC000423556098 458457173 /nfs/dbraw/zinc/45/71/73/458457173.db2.gz MKLHEHNYBKEYKJ-QHAWAJNXSA-N 3 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC[NH2+]C3CC3)[C@H]3CCC[C@H]32)cc1 ZINC000423556098 458457175 /nfs/dbraw/zinc/45/71/75/458457175.db2.gz MKLHEHNYBKEYKJ-QHAWAJNXSA-N 3 1 327.516 3.161 20 0 EGADMP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(OC(F)F)c1 ZINC000459723119 458457283 /nfs/dbraw/zinc/45/72/83/458457283.db2.gz CPCBZVBHPUDEBE-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000459721841 458457387 /nfs/dbraw/zinc/45/73/87/458457387.db2.gz BDYDBPFUSWSTFQ-ROUUACIJSA-N 2 1 331.504 3.342 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000459725045 458458233 /nfs/dbraw/zinc/45/82/33/458458233.db2.gz FNVHQJIRIIZNQJ-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000459729364 458459330 /nfs/dbraw/zinc/45/93/30/458459330.db2.gz JDOXAOHRRTYUGQ-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000430581257 458464815 /nfs/dbraw/zinc/46/48/15/458464815.db2.gz GTFBCSUWKGQYRS-TWOQFEAHSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000430581257 458464819 /nfs/dbraw/zinc/46/48/19/458464819.db2.gz GTFBCSUWKGQYRS-TWOQFEAHSA-N 2 1 339.483 3.076 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000459744985 458466138 /nfs/dbraw/zinc/46/61/38/458466138.db2.gz YIQDVOWUSQYGFJ-GOSISDBHSA-N 2 1 339.483 3.482 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430651768 458475848 /nfs/dbraw/zinc/47/58/48/458475848.db2.gz MCTVVNOHLLHDKM-AWEZNQCLSA-N 2 1 330.394 3.406 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000459800221 458482385 /nfs/dbraw/zinc/48/23/85/458482385.db2.gz ZIHIJZUGCAGNQW-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431075718 458524226 /nfs/dbraw/zinc/52/42/26/458524226.db2.gz GLGNORBWJWWIGY-HOTGVXAUSA-N 2 1 328.460 3.422 20 0 EGADMP CCC[C@H](NC(=O)C[N@H+](CCC)C1CC[NH2+]CC1)c1ccccc1 ZINC000431073036 458524483 /nfs/dbraw/zinc/52/44/83/458524483.db2.gz VLJOAERMTPXCNB-IBGZPJMESA-N 2 1 331.504 3.108 20 0 EGADMP CCC[C@H](NC(=O)C[N@@H+](CCC)C1CC[NH2+]CC1)c1ccccc1 ZINC000431073036 458524488 /nfs/dbraw/zinc/52/44/88/458524488.db2.gz VLJOAERMTPXCNB-IBGZPJMESA-N 2 1 331.504 3.108 20 0 EGADMP CCC[C@@H](NC(=O)C[N@H+](CCC)C1CC[NH2+]CC1)c1ccccc1 ZINC000431073037 458524688 /nfs/dbraw/zinc/52/46/88/458524688.db2.gz VLJOAERMTPXCNB-LJQANCHMSA-N 2 1 331.504 3.108 20 0 EGADMP CCC[C@@H](NC(=O)C[N@@H+](CCC)C1CC[NH2+]CC1)c1ccccc1 ZINC000431073037 458524693 /nfs/dbraw/zinc/52/46/93/458524693.db2.gz VLJOAERMTPXCNB-LJQANCHMSA-N 2 1 331.504 3.108 20 0 EGADMP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000438212103 458548361 /nfs/dbraw/zinc/54/83/61/458548361.db2.gz RQBIZKXQVZKMAT-LSDHHAIUSA-N 2 1 334.426 3.342 20 0 EGADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000431326599 458558437 /nfs/dbraw/zinc/55/84/37/458558437.db2.gz CYOMSLINUZXERT-QGZVFWFLSA-N 2 1 340.895 3.420 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000431326599 458558439 /nfs/dbraw/zinc/55/84/39/458558439.db2.gz CYOMSLINUZXERT-QGZVFWFLSA-N 2 1 340.895 3.420 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000424239904 458591050 /nfs/dbraw/zinc/59/10/50/458591050.db2.gz MOYWNTYNVSVUII-FQEVSTJZSA-N 2 1 337.467 3.447 20 0 EGADMP COCC[NH+]1CCC([NH2+]CC(C)(C)c2cccc(Cl)c2F)CC1 ZINC000469776219 458591171 /nfs/dbraw/zinc/59/11/71/458591171.db2.gz QHIFOISWIJPUOS-UHFFFAOYSA-N 2 1 342.886 3.457 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000438544443 458594793 /nfs/dbraw/zinc/59/47/93/458594793.db2.gz IMYVKKJDGDKSHJ-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438544443 458594800 /nfs/dbraw/zinc/59/48/00/458594800.db2.gz IMYVKKJDGDKSHJ-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438544443 458594805 /nfs/dbraw/zinc/59/48/05/458594805.db2.gz IMYVKKJDGDKSHJ-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438546582 458595514 /nfs/dbraw/zinc/59/55/14/458595514.db2.gz PVYRVCCLEUVSIY-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000438546582 458595517 /nfs/dbraw/zinc/59/55/17/458595517.db2.gz PVYRVCCLEUVSIY-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000438546582 458595522 /nfs/dbraw/zinc/59/55/22/458595522.db2.gz PVYRVCCLEUVSIY-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1Cl ZINC000424286073 458603969 /nfs/dbraw/zinc/60/39/69/458603969.db2.gz GWUGIWYFVZYDAF-AWEZNQCLSA-N 2 1 335.879 3.051 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1ccn(-c3ccc(F)cc3F)n1)CC[NH2+]CC2 ZINC000424291270 458605375 /nfs/dbraw/zinc/60/53/75/458605375.db2.gz NIPKUVBABWVLSU-AWEZNQCLSA-N 2 1 346.425 3.115 20 0 EGADMP COc1ccc(OC(F)F)c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424386465 458631699 /nfs/dbraw/zinc/63/16/99/458631699.db2.gz XCJNWUNBAAIXAQ-ZDUSSCGKSA-N 2 1 340.414 3.261 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000424429117 458641156 /nfs/dbraw/zinc/64/11/56/458641156.db2.gz WACYMSMNKHMOSI-GOSISDBHSA-N 2 1 332.492 3.086 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000424440302 458644899 /nfs/dbraw/zinc/64/48/99/458644899.db2.gz UHASWGGMKUVBLB-MRXNPFEDSA-N 2 1 340.471 3.096 20 0 EGADMP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000470772426 458648757 /nfs/dbraw/zinc/64/87/57/458648757.db2.gz JYMADYNCEZISTG-NRFANRHFSA-N 2 1 326.484 3.206 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470773395 458649326 /nfs/dbraw/zinc/64/93/26/458649326.db2.gz NVRJVQUCIKDERH-UGKGYDQZSA-N 2 1 340.511 3.407 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(C(F)(F)F)s2)CCCO1 ZINC000432359502 458723238 /nfs/dbraw/zinc/72/32/38/458723238.db2.gz QUTPRBCDBSOISE-LBPRGKRZSA-N 2 1 336.423 3.357 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C(F)(F)F)s2)CCCO1 ZINC000432359502 458723245 /nfs/dbraw/zinc/72/32/45/458723245.db2.gz QUTPRBCDBSOISE-LBPRGKRZSA-N 2 1 336.423 3.357 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cnn1C(C)(C)C ZINC000432415006 458735735 /nfs/dbraw/zinc/73/57/35/458735735.db2.gz BDZVBWIRKMALDM-HZPDHXFCSA-N 2 1 336.524 3.098 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cnn1C(C)(C)C ZINC000432415006 458735738 /nfs/dbraw/zinc/73/57/38/458735738.db2.gz BDZVBWIRKMALDM-HZPDHXFCSA-N 2 1 336.524 3.098 20 0 EGADMP C[C@@H]1C[N@H+](CCCNc2cc[nH+]c3ccc(Cl)cc23)CCCO1 ZINC000432862510 458801998 /nfs/dbraw/zinc/80/19/98/458801998.db2.gz FJMPWZRBCBSXKU-CQSZACIVSA-N 2 1 333.863 3.223 20 0 EGADMP C[C@@H]1C[N@@H+](CCCNc2cc[nH+]c3ccc(Cl)cc23)CCCO1 ZINC000432862510 458802003 /nfs/dbraw/zinc/80/20/03/458802003.db2.gz FJMPWZRBCBSXKU-CQSZACIVSA-N 2 1 333.863 3.223 20 0 EGADMP Cc1ccc2c(C)cc(NCCC[N@@H+]3CCCO[C@@H](C)C3)[nH+]c2c1 ZINC000432875569 458805306 /nfs/dbraw/zinc/80/53/06/458805306.db2.gz GTZODAJNGOBPSA-KRWDZBQOSA-N 2 1 327.472 3.186 20 0 EGADMP Cc1ccc2c(C)cc(NCCC[N@H+]3CCCO[C@@H](C)C3)[nH+]c2c1 ZINC000432875569 458805308 /nfs/dbraw/zinc/80/53/08/458805308.db2.gz GTZODAJNGOBPSA-KRWDZBQOSA-N 2 1 327.472 3.186 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000530714374 458816989 /nfs/dbraw/zinc/81/69/89/458816989.db2.gz RKLYQTYWSQSPIO-RBUKOAKNSA-N 2 1 345.535 3.067 20 0 EGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@@H]2C)C1 ZINC000474710064 458897952 /nfs/dbraw/zinc/89/79/52/458897952.db2.gz OYDQWZZNXQNIPQ-XWTMOSNGSA-N 2 1 338.536 3.454 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@@H]2C)C1 ZINC000474710064 458897954 /nfs/dbraw/zinc/89/79/54/458897954.db2.gz OYDQWZZNXQNIPQ-XWTMOSNGSA-N 2 1 338.536 3.454 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCSc1ccc(F)cc1 ZINC000441258047 458907385 /nfs/dbraw/zinc/90/73/85/458907385.db2.gz SNOKXVANQXIBFQ-BPQIPLTHSA-N 2 1 338.492 3.101 20 0 EGADMP Cc1cc(C)cc(OCCC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000441268423 458908400 /nfs/dbraw/zinc/90/84/00/458908400.db2.gz XQIVOHIIYMIUJV-SESVDKBCSA-N 2 1 346.515 3.256 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CCC(C)CC3)cc2)CC1 ZINC000519250379 458928607 /nfs/dbraw/zinc/92/86/07/458928607.db2.gz UUVMVXKPJHAIJU-UHFFFAOYSA-N 2 1 329.532 3.492 20 0 EGADMP C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000495734451 458934815 /nfs/dbraw/zinc/93/48/15/458934815.db2.gz NKYRYTLSFRLQIC-NJAFHUGGSA-N 2 1 347.503 3.325 20 0 EGADMP C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000495734451 458934818 /nfs/dbraw/zinc/93/48/18/458934818.db2.gz NKYRYTLSFRLQIC-NJAFHUGGSA-N 2 1 347.503 3.325 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000476128178 458981710 /nfs/dbraw/zinc/98/17/10/458981710.db2.gz BSZWGEJXOXBXNS-RCCFBDPRSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[C@H](C)NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476975110 459023906 /nfs/dbraw/zinc/02/39/06/459023906.db2.gz QVBBMOHOJRRDOM-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000556916227 459032839 /nfs/dbraw/zinc/03/28/39/459032839.db2.gz QIIPHKJDKLYCBO-QFIPXVFZSA-N 2 1 343.559 3.485 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000532236603 459052289 /nfs/dbraw/zinc/05/22/89/459052289.db2.gz IVQAWHNGYKILKW-OFQRWUPVSA-N 2 1 337.895 3.438 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000532236603 459052291 /nfs/dbraw/zinc/05/22/91/459052291.db2.gz IVQAWHNGYKILKW-OFQRWUPVSA-N 2 1 337.895 3.438 20 0 EGADMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccc(N2CCOC2=O)c1 ZINC000496074608 459056679 /nfs/dbraw/zinc/05/66/79/459056679.db2.gz ZNIIHUOZETWIDL-HNNXBMFYSA-N 2 1 331.460 3.346 20 0 EGADMP CCSc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442890918 459057021 /nfs/dbraw/zinc/05/70/21/459057021.db2.gz PNOFAKUVIXGDMN-INIZCTEOSA-N 2 1 335.561 3.475 20 0 EGADMP C[C@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000477931105 459067575 /nfs/dbraw/zinc/06/75/75/459067575.db2.gz YIBZZWRMZOITNH-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000477931105 459067579 /nfs/dbraw/zinc/06/75/79/459067579.db2.gz YIBZZWRMZOITNH-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000567221384 459068817 /nfs/dbraw/zinc/06/88/17/459068817.db2.gz JMMGISBWFLIAJB-HOCLYGCPSA-N 2 1 342.487 3.064 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000443055264 459079880 /nfs/dbraw/zinc/07/98/80/459079880.db2.gz BADNQFBPBMPYJS-UWJYYQICSA-N 2 1 343.515 3.095 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000443065678 459083356 /nfs/dbraw/zinc/08/33/56/459083356.db2.gz CLKCCNYTVGCOIW-YLJYHZDGSA-N 2 1 337.467 3.427 20 0 EGADMP CC(C)[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C1CC1 ZINC000532449808 459090574 /nfs/dbraw/zinc/09/05/74/459090574.db2.gz KXFIBBWDEUOROX-LEWJYISDSA-N 2 1 329.532 3.389 20 0 EGADMP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000532507274 459101845 /nfs/dbraw/zinc/10/18/45/459101845.db2.gz KOSRFDUXQNSQMV-UYAOXDASSA-N 2 1 348.531 3.465 20 0 EGADMP C[NH+](Cc1ccccc1NC[C@@H](O)C[N@H+](C)C1CC1)C1CCCCC1 ZINC000577842058 459105601 /nfs/dbraw/zinc/10/56/01/459105601.db2.gz HDHIUJXKBUVRPI-HXUWFJFHSA-N 2 1 345.531 3.318 20 0 EGADMP C[NH+](C[C@H](O)CNc1ccccc1C[N@H+](C)C1CCCCC1)C1CC1 ZINC000577842058 459105609 /nfs/dbraw/zinc/10/56/09/459105609.db2.gz HDHIUJXKBUVRPI-HXUWFJFHSA-N 2 1 345.531 3.318 20 0 EGADMP C[NH+](C[C@H](O)CNc1ccccc1C[N@@H+](C)C1CCCCC1)C1CC1 ZINC000577842058 459105615 /nfs/dbraw/zinc/10/56/15/459105615.db2.gz HDHIUJXKBUVRPI-HXUWFJFHSA-N 2 1 345.531 3.318 20 0 EGADMP CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2C)CC1 ZINC000577947528 459121104 /nfs/dbraw/zinc/12/11/04/459121104.db2.gz JVFBLMNAXGTELO-IBGZPJMESA-N 2 1 348.531 3.106 20 0 EGADMP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000496261960 459129020 /nfs/dbraw/zinc/12/90/20/459129020.db2.gz HRNXXGYEOMHHHT-HNNXBMFYSA-N 2 1 327.513 3.144 20 0 EGADMP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000496261960 459129024 /nfs/dbraw/zinc/12/90/24/459129024.db2.gz HRNXXGYEOMHHHT-HNNXBMFYSA-N 2 1 327.513 3.144 20 0 EGADMP CC(C)[NH2+]CCC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000558167978 459136111 /nfs/dbraw/zinc/13/61/11/459136111.db2.gz ZRKUCPZHFCOVCA-KRWDZBQOSA-N 2 1 331.504 3.065 20 0 EGADMP C[N@@H+](CCCC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000496288938 459136750 /nfs/dbraw/zinc/13/67/50/459136750.db2.gz CAJGLIBQNYUVBI-IBGZPJMESA-N 2 1 339.524 3.098 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ncccc2C)[C@@H](C)C1 ZINC000578102388 459145259 /nfs/dbraw/zinc/14/52/59/459145259.db2.gz HRJYKBRDYODPBB-OALUTQOASA-N 2 1 347.547 3.394 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000567700435 459149387 /nfs/dbraw/zinc/14/93/87/459149387.db2.gz LYQHZEYGGURDKP-MRXNPFEDSA-N 2 1 344.421 3.028 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000567700435 459149392 /nfs/dbraw/zinc/14/93/92/459149392.db2.gz LYQHZEYGGURDKP-MRXNPFEDSA-N 2 1 344.421 3.028 20 0 EGADMP CCOC(=O)CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000558397045 459152300 /nfs/dbraw/zinc/15/23/00/459152300.db2.gz LKIRWJAPKUXZTI-INIZCTEOSA-N 2 1 338.517 3.154 20 0 EGADMP CCOC(=O)CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000558397045 459152304 /nfs/dbraw/zinc/15/23/04/459152304.db2.gz LKIRWJAPKUXZTI-INIZCTEOSA-N 2 1 338.517 3.154 20 0 EGADMP CCOC(=O)CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000558397045 459152310 /nfs/dbraw/zinc/15/23/10/459152310.db2.gz LKIRWJAPKUXZTI-INIZCTEOSA-N 2 1 338.517 3.154 20 0 EGADMP CCc1cnc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000578196462 459160315 /nfs/dbraw/zinc/16/03/15/459160315.db2.gz JDUXLWACJQHAQH-HKUYNNGSSA-N 2 1 327.472 3.409 20 0 EGADMP CCc1cnc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000578196462 459160320 /nfs/dbraw/zinc/16/03/20/459160320.db2.gz JDUXLWACJQHAQH-HKUYNNGSSA-N 2 1 327.472 3.409 20 0 EGADMP Brc1cccc2c1C[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000578249871 459169869 /nfs/dbraw/zinc/16/98/69/459169869.db2.gz DNZCLVCIHLVXIV-DZGCQCFKSA-N 2 1 349.316 3.380 20 0 EGADMP C[C@H]([NH2+][C@H]1CCC12CCOCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000558619483 459181204 /nfs/dbraw/zinc/18/12/04/459181204.db2.gz UEDHGZYBGDTDQV-SXLOBPIMSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2ccc(Br)o2)C1 ZINC000480650422 459210845 /nfs/dbraw/zinc/21/08/45/459210845.db2.gz YMLFPFOLZLTGFN-BETUJISGSA-N 2 1 329.282 3.500 20 0 EGADMP COCC[N@@H+](C)CC[C@H](N[C@@H](C)c1cncnc1C)c1ccccc1 ZINC000578522366 459215646 /nfs/dbraw/zinc/21/56/46/459215646.db2.gz JLVMALPTVGLNLK-PXNSSMCTSA-N 2 1 342.487 3.145 20 0 EGADMP CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000533431966 459234381 /nfs/dbraw/zinc/23/43/81/459234381.db2.gz SRCHIJADALTYQP-GFCCVEGCSA-N 2 1 344.286 3.206 20 0 EGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000481153637 459236372 /nfs/dbraw/zinc/23/63/72/459236372.db2.gz JOCKFZAWVBIYEE-GUDVDZBRSA-N 2 1 347.547 3.398 20 0 EGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000481153637 459236378 /nfs/dbraw/zinc/23/63/78/459236378.db2.gz JOCKFZAWVBIYEE-GUDVDZBRSA-N 2 1 347.547 3.398 20 0 EGADMP CCCC[NH+]1CCC(NC(=O)[C@H](CC)[N@@H+](C)Cc2ccccc2)CC1 ZINC000559280166 459249603 /nfs/dbraw/zinc/24/96/03/459249603.db2.gz CVRNLQQSPNLRPF-FQEVSTJZSA-N 2 1 345.531 3.278 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496677885 459283890 /nfs/dbraw/zinc/28/38/90/459283890.db2.gz NPTPNVXOEHTHIT-IKGGRYGDSA-N 2 1 341.540 3.390 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000482166311 459294320 /nfs/dbraw/zinc/29/43/20/459294320.db2.gz TUWBPPNXYAKNER-YJBOKZPZSA-N 2 1 335.467 3.254 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496719213 459300062 /nfs/dbraw/zinc/30/00/62/459300062.db2.gz UDPHLCYZIULVMS-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP Cc1ccc(OC[C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000582117298 459310570 /nfs/dbraw/zinc/31/05/70/459310570.db2.gz LCULNXAZGULDJE-ICSRJNTNSA-N 2 1 348.531 3.145 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000482481334 459311052 /nfs/dbraw/zinc/31/10/52/459311052.db2.gz OVFYTZNRMUPBDE-QFBILLFUSA-N 2 1 345.531 3.180 20 0 EGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000482749035 459323189 /nfs/dbraw/zinc/32/31/89/459323189.db2.gz YVNFLIGQQIZTGO-YRNRMSPPSA-N 2 1 334.479 3.132 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000483157436 459346418 /nfs/dbraw/zinc/34/64/18/459346418.db2.gz RUGTZASFBFMPOT-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483157436 459346421 /nfs/dbraw/zinc/34/64/21/459346421.db2.gz RUGTZASFBFMPOT-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483157436 459346422 /nfs/dbraw/zinc/34/64/22/459346422.db2.gz RUGTZASFBFMPOT-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+](C)CC[C@@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC000483174783 459348568 /nfs/dbraw/zinc/34/85/68/459348568.db2.gz KROHNJBYQKSVFP-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](Nc1cc[nH+]c2ccccc12)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000524945210 459406032 /nfs/dbraw/zinc/40/60/32/459406032.db2.gz PMTUGVAJKWELHP-HTAPYJJXSA-N 2 1 347.462 3.358 20 0 EGADMP C[C@H](Nc1cc[nH+]c2ccccc12)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000524945210 459406035 /nfs/dbraw/zinc/40/60/35/459406035.db2.gz PMTUGVAJKWELHP-HTAPYJJXSA-N 2 1 347.462 3.358 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC000497025953 459410770 /nfs/dbraw/zinc/41/07/70/459410770.db2.gz MPVDBZCIFZWKTE-KRWDZBQOSA-N 2 1 339.524 3.098 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(C)c2C)CC1 ZINC000525121178 459416918 /nfs/dbraw/zinc/41/69/18/459416918.db2.gz XJVPKEFAWYMICL-HXUWFJFHSA-N 2 1 343.515 3.041 20 0 EGADMP CC(C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000484875168 459432871 /nfs/dbraw/zinc/43/28/71/459432871.db2.gz GNPNZCCRPZYEIU-AQNXPRMDSA-N 2 1 346.515 3.358 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000541348894 459448357 /nfs/dbraw/zinc/44/83/57/459448357.db2.gz JHFWTIWBCOATBW-ICSRJNTNSA-N 2 1 347.934 3.428 20 0 EGADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000561532088 459462722 /nfs/dbraw/zinc/46/27/22/459462722.db2.gz MVUAZBJUILIHFU-FQEVSTJZSA-N 2 1 345.531 3.475 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000569592378 459478770 /nfs/dbraw/zinc/47/87/70/459478770.db2.gz IXRSPLCEEADWCI-YQQAZPJKSA-N 3 1 330.520 3.152 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000569592378 459478771 /nfs/dbraw/zinc/47/87/71/459478771.db2.gz IXRSPLCEEADWCI-YQQAZPJKSA-N 2 1 330.520 3.152 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000569592378 459478773 /nfs/dbraw/zinc/47/87/73/459478773.db2.gz IXRSPLCEEADWCI-YQQAZPJKSA-N 2 1 330.520 3.152 20 0 EGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000561783352 459483647 /nfs/dbraw/zinc/48/36/47/459483647.db2.gz UIJLOJCDCJFGOU-INIZCTEOSA-N 2 1 325.541 3.124 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000561783352 459483652 /nfs/dbraw/zinc/48/36/52/459483652.db2.gz UIJLOJCDCJFGOU-INIZCTEOSA-N 2 1 325.541 3.124 20 0 EGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCCc4ccncc4)C[C@H]3C2)cc1 ZINC000583230840 459504943 /nfs/dbraw/zinc/50/49/43/459504943.db2.gz CPOGUXHKRSYHBI-VXKWHMMOSA-N 2 1 335.495 3.468 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCCc4ccncc4)C[C@H]3C2)cc1 ZINC000583230840 459504950 /nfs/dbraw/zinc/50/49/50/459504950.db2.gz CPOGUXHKRSYHBI-VXKWHMMOSA-N 2 1 335.495 3.468 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCCc4ccncc4)C[C@H]3C2)cc1 ZINC000583230840 459504958 /nfs/dbraw/zinc/50/49/58/459504958.db2.gz CPOGUXHKRSYHBI-VXKWHMMOSA-N 2 1 335.495 3.468 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000562039370 459506415 /nfs/dbraw/zinc/50/64/15/459506415.db2.gz GTJIKUCWWLDKAO-BARDWOONSA-N 2 1 336.442 3.442 20 0 EGADMP Oc1cccnc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000583348294 459523858 /nfs/dbraw/zinc/52/38/58/459523858.db2.gz ILJUDQAGBNMYRB-UHFFFAOYSA-N 2 1 337.467 3.275 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1)C(C)C ZINC000583373056 459527229 /nfs/dbraw/zinc/52/72/29/459527229.db2.gz WMQFVCMHOACFOU-VQTJNVASSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1)C(C)C ZINC000583373056 459527233 /nfs/dbraw/zinc/52/72/33/459527233.db2.gz WMQFVCMHOACFOU-VQTJNVASSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1)C(C)C ZINC000583373056 459527234 /nfs/dbraw/zinc/52/72/34/459527234.db2.gz WMQFVCMHOACFOU-VQTJNVASSA-N 2 1 343.515 3.226 20 0 EGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2ccccc2C)C1 ZINC000583869637 459609538 /nfs/dbraw/zinc/60/95/38/459609538.db2.gz BTTSDZFCAIRTNU-AEFFLSMTSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2ccccc2C)C1 ZINC000583869637 459609543 /nfs/dbraw/zinc/60/95/43/459609543.db2.gz BTTSDZFCAIRTNU-AEFFLSMTSA-N 2 1 331.504 3.012 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000543416818 459656103 /nfs/dbraw/zinc/65/61/03/459656103.db2.gz SPBVGGUNICPNJM-ANULTFPQSA-N 2 1 328.500 3.303 20 0 EGADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(I)cc1 ZINC000596647774 459714029 /nfs/dbraw/zinc/71/40/29/459714029.db2.gz BHDYDXQZYGRWGC-NSHDSACASA-N 2 1 344.240 3.213 20 0 EGADMP c1ccc(C[NH+]2CCC(NC[C@@H]3CC[N@H+]3C3CCCC3)CC2)cc1 ZINC000527810070 459745808 /nfs/dbraw/zinc/74/58/08/459745808.db2.gz UJWRIWDIYVTLBS-NRFANRHFSA-N 2 1 327.516 3.258 20 0 EGADMP CCCNC(=O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000573860104 459747182 /nfs/dbraw/zinc/74/71/82/459747182.db2.gz MRBNPVZAYNKVAU-IBGZPJMESA-N 2 1 345.531 3.183 20 0 EGADMP CCCNC(=O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000573860104 459747191 /nfs/dbraw/zinc/74/71/91/459747191.db2.gz MRBNPVZAYNKVAU-IBGZPJMESA-N 2 1 345.531 3.183 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000566118998 459809764 /nfs/dbraw/zinc/80/97/64/459809764.db2.gz MXODKUOYEVMGEQ-PKOBYXMFSA-N 2 1 348.531 3.045 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])ccc2o1 ZINC000593729025 459965979 /nfs/dbraw/zinc/96/59/79/459965979.db2.gz CRXHNKJXZBCRRO-CZUORRHYSA-N 2 1 330.428 3.169 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(COC)CCCCC2)[C@H](C)C1 ZINC000575624331 459988950 /nfs/dbraw/zinc/98/89/50/459988950.db2.gz AJXNAURQEXJLBT-RTBURBONSA-N 2 1 340.552 3.310 20 0 EGADMP CSC[C@H](CCO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602556768 459995700 /nfs/dbraw/zinc/99/57/00/459995700.db2.gz MPWBJSUQADIWAK-JENIJYKNSA-N 2 1 334.529 3.058 20 0 EGADMP CSC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602556768 459995705 /nfs/dbraw/zinc/99/57/05/459995705.db2.gz MPWBJSUQADIWAK-JENIJYKNSA-N 2 1 334.529 3.058 20 0 EGADMP C[C@H](C[S@](C)=O)[N@@H+](C)[C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000602616593 460023931 /nfs/dbraw/zinc/02/39/31/460023931.db2.gz WDFPFEFIJOBBTK-ZMHGRXQUSA-N 2 1 334.529 3.053 20 0 EGADMP C[C@H](C[S@](C)=O)N(C)[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602616593 460023936 /nfs/dbraw/zinc/02/39/36/460023936.db2.gz WDFPFEFIJOBBTK-ZMHGRXQUSA-N 2 1 334.529 3.053 20 0 EGADMP C[C@H](C[S@](C)=O)N(C)[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602616593 460023941 /nfs/dbraw/zinc/02/39/41/460023941.db2.gz WDFPFEFIJOBBTK-ZMHGRXQUSA-N 2 1 334.529 3.053 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)c2ccccc21 ZINC000621760579 460053862 /nfs/dbraw/zinc/05/38/62/460053862.db2.gz NWIRVRIVYJMELZ-SFHVURJKSA-N 2 1 329.488 3.196 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602683013 460063371 /nfs/dbraw/zinc/06/33/71/460063371.db2.gz ZZNRBOTVIQLUQA-OJAHFUOMSA-N 2 1 342.483 3.286 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602683013 460063374 /nfs/dbraw/zinc/06/33/74/460063374.db2.gz ZZNRBOTVIQLUQA-OJAHFUOMSA-N 2 1 342.483 3.286 20 0 EGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000576507145 460154765 /nfs/dbraw/zinc/15/47/65/460154765.db2.gz MYILADSQWMBIJD-RBUKOAKNSA-N 2 1 338.455 3.084 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+]C1(CC(=O)OC(C)(C)C)CCCCC1 ZINC000602878723 460167284 /nfs/dbraw/zinc/16/72/84/460167284.db2.gz VJROZRRCDOYLFD-UHFFFAOYSA-N 2 1 335.492 3.377 20 0 EGADMP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)c2cccs2)CC1 ZINC000599291622 460218036 /nfs/dbraw/zinc/21/80/36/460218036.db2.gz NGWUIOJUFJKAKQ-SJORKVTESA-N 2 1 349.544 3.122 20 0 EGADMP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)c2cccs2)CC1 ZINC000599291622 460218043 /nfs/dbraw/zinc/21/80/43/460218043.db2.gz NGWUIOJUFJKAKQ-SJORKVTESA-N 2 1 349.544 3.122 20 0 EGADMP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000599308372 460224853 /nfs/dbraw/zinc/22/48/53/460224853.db2.gz HNVCGDSKYIIOOI-HXUWFJFHSA-N 2 1 343.515 3.019 20 0 EGADMP COC(=O)CCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000599317577 460228311 /nfs/dbraw/zinc/22/83/11/460228311.db2.gz CMIXSSPFHOAJOQ-UXHICEINSA-N 2 1 344.499 3.316 20 0 EGADMP COC(=O)CCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000599317577 460228314 /nfs/dbraw/zinc/22/83/14/460228314.db2.gz CMIXSSPFHOAJOQ-UXHICEINSA-N 2 1 344.499 3.316 20 0 EGADMP COC(=O)CCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000599317577 460228319 /nfs/dbraw/zinc/22/83/19/460228319.db2.gz CMIXSSPFHOAJOQ-UXHICEINSA-N 2 1 344.499 3.316 20 0 EGADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000622753217 460305091 /nfs/dbraw/zinc/30/50/91/460305091.db2.gz TZWGVIQUIHLZJC-XLIONFOSSA-N 2 1 347.547 3.307 20 0 EGADMP O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622753217 460305096 /nfs/dbraw/zinc/30/50/96/460305096.db2.gz TZWGVIQUIHLZJC-XLIONFOSSA-N 2 1 347.547 3.307 20 0 EGADMP O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000622753217 460305100 /nfs/dbraw/zinc/30/51/00/460305100.db2.gz TZWGVIQUIHLZJC-XLIONFOSSA-N 2 1 347.547 3.307 20 0 EGADMP Cc1ccccc1C[N@H+]1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000619231195 460306722 /nfs/dbraw/zinc/30/67/22/460306722.db2.gz BLGDXTZENVOHLZ-UHFFFAOYSA-N 2 1 329.532 3.379 20 0 EGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCc2cccc(C(F)(F)F)c2)CCO1 ZINC000628352650 460378784 /nfs/dbraw/zinc/37/87/84/460378784.db2.gz POHFSKZNNGNLIN-QGZVFWFLSA-N 2 1 344.421 3.291 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)c1C ZINC000600124582 460393525 /nfs/dbraw/zinc/39/35/25/460393525.db2.gz NUDLAHVSTJVCFG-BBRMVZONSA-N 2 1 335.492 3.113 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)c1C ZINC000600124582 460393529 /nfs/dbraw/zinc/39/35/29/460393529.db2.gz NUDLAHVSTJVCFG-BBRMVZONSA-N 2 1 335.492 3.113 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c1C ZINC000600124582 460393535 /nfs/dbraw/zinc/39/35/35/460393535.db2.gz NUDLAHVSTJVCFG-BBRMVZONSA-N 2 1 335.492 3.113 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)c1C ZINC000600124582 460393539 /nfs/dbraw/zinc/39/35/39/460393539.db2.gz NUDLAHVSTJVCFG-BBRMVZONSA-N 2 1 335.492 3.113 20 0 EGADMP Cc1cc(C)c([C@@H](C)[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(C)c1 ZINC000604389367 460418331 /nfs/dbraw/zinc/41/83/31/460418331.db2.gz ZKEDRZZDTZRQOV-UXHICEINSA-N 2 1 329.532 3.385 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000631576854 460452089 /nfs/dbraw/zinc/45/20/89/460452089.db2.gz ZWVKHCAQHBOWME-ANULTFPQSA-N 2 1 340.511 3.098 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc3ncccc23)C1 ZINC000634688452 460477993 /nfs/dbraw/zinc/47/79/93/460477993.db2.gz SSNLOVUGYSQKHO-NSISKUIASA-N 2 1 325.456 3.096 20 0 EGADMP CC[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000634717512 460489932 /nfs/dbraw/zinc/48/99/32/460489932.db2.gz MSEJLSRMJUNLPQ-NVXWUHKLSA-N 2 1 344.421 3.192 20 0 EGADMP CC[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000634717512 460489939 /nfs/dbraw/zinc/48/99/39/460489939.db2.gz MSEJLSRMJUNLPQ-NVXWUHKLSA-N 2 1 344.421 3.192 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000634733656 460497731 /nfs/dbraw/zinc/49/77/31/460497731.db2.gz KRVIYJRWJUESQX-HXUWFJFHSA-N 2 1 329.532 3.061 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000634733656 460497737 /nfs/dbraw/zinc/49/77/37/460497737.db2.gz KRVIYJRWJUESQX-HXUWFJFHSA-N 3 1 329.532 3.061 20 0 EGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000629539982 460801224 /nfs/dbraw/zinc/80/12/24/460801224.db2.gz SVRWGMKEFVQQBN-BJLQDIEVSA-N 2 1 331.504 3.232 20 0 EGADMP CC(C)c1ccsc1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601472530 460817615 /nfs/dbraw/zinc/81/76/15/460817615.db2.gz NTHNXLLLOXLEEH-INIZCTEOSA-N 2 1 349.544 3.112 20 0 EGADMP CC(C)c1ccsc1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000601472530 460817622 /nfs/dbraw/zinc/81/76/22/460817622.db2.gz NTHNXLLLOXLEEH-INIZCTEOSA-N 2 1 349.544 3.112 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000635637603 460866019 /nfs/dbraw/zinc/86/60/19/460866019.db2.gz LCRNIQLNIQSADM-MRXNPFEDSA-N 2 1 348.878 3.079 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC000624225191 460919338 /nfs/dbraw/zinc/91/93/38/460919338.db2.gz MVUAPDCDURTEEO-OAHLLOKOSA-N 2 1 325.859 3.132 20 0 EGADMP C[NH+](C)Cc1cc(NC(=O)C23CCC[NH+](CCC2)C3)ccc1Cl ZINC000635892871 460966810 /nfs/dbraw/zinc/96/68/10/460966810.db2.gz DRBFAVSPGNDSQH-UHFFFAOYSA-N 2 1 335.879 3.216 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000652351474 461147968 /nfs/dbraw/zinc/14/79/68/461147968.db2.gz YVHYVLVMLBRJER-WBKMXMRLSA-N 2 1 343.515 3.093 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000652351474 461147977 /nfs/dbraw/zinc/14/79/77/461147977.db2.gz YVHYVLVMLBRJER-WBKMXMRLSA-N 2 1 343.515 3.093 20 0 EGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)CC1 ZINC000662260518 461148673 /nfs/dbraw/zinc/14/86/73/461148673.db2.gz OGMGKZQFMGLTCW-LJQANCHMSA-N 3 1 341.543 3.276 20 0 EGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)CC1 ZINC000662260518 461148679 /nfs/dbraw/zinc/14/86/79/461148679.db2.gz OGMGKZQFMGLTCW-LJQANCHMSA-N 3 1 341.543 3.276 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)[C@H]1CC[NH3+] ZINC000652354016 461149073 /nfs/dbraw/zinc/14/90/73/461149073.db2.gz KMGLHBMHXGFBOI-AHRSYUTCSA-N 2 1 343.515 3.020 20 0 EGADMP COc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363465 461158027 /nfs/dbraw/zinc/15/80/27/461158027.db2.gz FMCRCAZMRHPOEI-NUJGCVRESA-N 2 1 338.879 3.209 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCSc2cccc(Cl)c2)CC12CCOCC2 ZINC000662272741 461161131 /nfs/dbraw/zinc/16/11/31/461161131.db2.gz IBZMQHJUDJCOSG-AWEZNQCLSA-N 2 1 340.920 3.119 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCc3nsc4ccccc43)C2)C1 ZINC000662283647 461165047 /nfs/dbraw/zinc/16/50/47/461165047.db2.gz CIFWRAKTSXQCGC-HDMKZQKVSA-N 2 1 345.512 3.057 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290406 461168469 /nfs/dbraw/zinc/16/84/69/461168469.db2.gz UGDMBAPYERHQBW-MRXNPFEDSA-N 2 1 349.906 3.299 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(F)c1 ZINC000662294652 461172906 /nfs/dbraw/zinc/17/29/06/461172906.db2.gz DIJKBLQKZKPHQO-NVXWUHKLSA-N 2 1 347.478 3.173 20 0 EGADMP Fc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662295120 461173261 /nfs/dbraw/zinc/17/32/61/461173261.db2.gz FJMWVKLHKFKWRZ-MRXNPFEDSA-N 2 1 344.434 3.087 20 0 EGADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662297497 461175498 /nfs/dbraw/zinc/17/54/98/461175498.db2.gz QVBBKFMHRNATQM-MJGOQNOKSA-N 2 1 343.515 3.342 20 0 EGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@H](c3nccn3C)C3CC3)C2)c1 ZINC000638008047 461192814 /nfs/dbraw/zinc/19/28/14/461192814.db2.gz WDWONSSTQGGBCQ-QAPCUYQASA-N 2 1 325.460 3.009 20 0 EGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@@H](c3nccn3C)C3CC3)C2)c1 ZINC000638008043 461192890 /nfs/dbraw/zinc/19/28/90/461192890.db2.gz WDWONSSTQGGBCQ-CRAIPNDOSA-N 2 1 325.460 3.009 20 0 EGADMP CC(C)CC[C@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638101087 461239477 /nfs/dbraw/zinc/23/94/77/461239477.db2.gz SQPGFHJBFLSQLG-FQEVSTJZSA-N 2 1 345.531 3.121 20 0 EGADMP CCCN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000646421051 461249956 /nfs/dbraw/zinc/24/99/56/461249956.db2.gz QCDQIFQSQMJFNN-MJGOQNOKSA-N 2 1 344.503 3.184 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000662593756 461310340 /nfs/dbraw/zinc/31/03/40/461310340.db2.gz QFSMUOICTDLZOK-ROUUACIJSA-N 2 1 337.552 3.301 20 0 EGADMP Cc1ccc(CCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C)c1 ZINC000655682661 461360360 /nfs/dbraw/zinc/36/03/60/461360360.db2.gz IHSXZWPKICQPAM-OAQYLSRUSA-N 2 1 330.516 3.469 20 0 EGADMP c1ccc(SCCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655690276 461364414 /nfs/dbraw/zinc/36/44/14/461364414.db2.gz KKLDCPBMYTUXDJ-SFHVURJKSA-N 2 1 334.529 3.402 20 0 EGADMP Fc1ccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCCC2)cc1 ZINC000655691523 461365031 /nfs/dbraw/zinc/36/50/31/461365031.db2.gz CPHHHWVXHKLKMM-FQEVSTJZSA-N 2 1 346.490 3.480 20 0 EGADMP CCN(CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1C ZINC000655691541 461365593 /nfs/dbraw/zinc/36/55/93/461365593.db2.gz UNKUIQZXBWRABK-HXUWFJFHSA-N 2 1 345.531 3.054 20 0 EGADMP CCCCOc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655693974 461368233 /nfs/dbraw/zinc/36/82/33/461368233.db2.gz BPTNJWLRGGDRTD-FQEVSTJZSA-N 2 1 346.515 3.251 20 0 EGADMP CC(C)c1nc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cs1 ZINC000655705032 461375411 /nfs/dbraw/zinc/37/54/11/461375411.db2.gz ULRHBTQTKWAHMW-QGZVFWFLSA-N 2 1 337.533 3.042 20 0 EGADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000655705078 461376645 /nfs/dbraw/zinc/37/66/45/461376645.db2.gz VRHAFKPKVOMDIW-UHFFFAOYSA-N 2 1 332.879 3.410 20 0 EGADMP Cc1csc(CCCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000655708458 461377821 /nfs/dbraw/zinc/37/78/21/461377821.db2.gz PWIRJMRNFJFGBI-KRWDZBQOSA-N 2 1 337.533 3.007 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccccc2OCCCCO)CC1 ZINC000638348819 461378270 /nfs/dbraw/zinc/37/82/70/461378270.db2.gz UAFBJSBCFKRGOM-UHFFFAOYSA-N 2 1 334.504 3.048 20 0 EGADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655708933 461379991 /nfs/dbraw/zinc/37/99/91/461379991.db2.gz PUXPCUAUXWEBQN-INIZCTEOSA-N 2 1 336.907 3.461 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662825462 461383684 /nfs/dbraw/zinc/38/36/84/461383684.db2.gz HXXOSDHLQPAGBT-QGZVFWFLSA-N 2 1 347.547 3.151 20 0 EGADMP CO[C@H](C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@H]1CCOC1 ZINC000638362984 461388283 /nfs/dbraw/zinc/38/82/83/461388283.db2.gz HSHMGVCZWRSLCN-JRGCBEDISA-N 2 1 346.515 3.202 20 0 EGADMP CCOCCC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCCC1 ZINC000655723891 461392724 /nfs/dbraw/zinc/39/27/24/461392724.db2.gz VKOAHBNAQVNMLI-LJQANCHMSA-N 2 1 338.536 3.206 20 0 EGADMP CC[C@H](C)NC(=O)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638383390 461400084 /nfs/dbraw/zinc/40/00/84/461400084.db2.gz FQRVSFZIVBTEJR-XKGZKEIXSA-N 2 1 343.515 3.249 20 0 EGADMP CC[C@H](C)NC(=O)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638383390 461400090 /nfs/dbraw/zinc/40/00/90/461400090.db2.gz FQRVSFZIVBTEJR-XKGZKEIXSA-N 2 1 343.515 3.249 20 0 EGADMP [NH3+][C@@H](CCC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)CC1CCCCC1 ZINC000663005550 461425155 /nfs/dbraw/zinc/42/51/55/461425155.db2.gz WFDGGYZQSJZGHE-UXHICEINSA-N 2 1 349.563 3.303 20 0 EGADMP Fc1cccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)c1 ZINC000655765158 461431529 /nfs/dbraw/zinc/43/15/29/461431529.db2.gz ZPHCBIQEPQRNEA-VDGAXYAQSA-N 2 1 332.463 3.305 20 0 EGADMP Cc1cc2cc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)ccc2[nH]1 ZINC000655769487 461436168 /nfs/dbraw/zinc/43/61/68/461436168.db2.gz ZMKBBYKZNQMWCI-LJQANCHMSA-N 2 1 327.472 3.209 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)cc1 ZINC000647010565 461481477 /nfs/dbraw/zinc/48/14/77/461481477.db2.gz SUNYKRBPFQAUTI-MJGOQNOKSA-N 2 1 331.504 3.118 20 0 EGADMP CC(C)O[C@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC000638558257 461484209 /nfs/dbraw/zinc/48/42/09/461484209.db2.gz WKGKNRPQZORWDN-HXUWFJFHSA-N 2 1 346.515 3.387 20 0 EGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC1 ZINC000655839999 461490082 /nfs/dbraw/zinc/49/00/82/461490082.db2.gz BTUPMGZXJWNJNL-IDCXYZFESA-N 2 1 328.500 3.277 20 0 EGADMP COc1nc2ccccc2cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345623 461573678 /nfs/dbraw/zinc/57/36/78/461573678.db2.gz LZSFJZVDNCUPSO-QGZVFWFLSA-N 2 1 339.483 3.455 20 0 EGADMP COc1nc2ccccc2cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345623 461573690 /nfs/dbraw/zinc/57/36/90/461573690.db2.gz LZSFJZVDNCUPSO-QGZVFWFLSA-N 2 1 339.483 3.455 20 0 EGADMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663345660 461574455 /nfs/dbraw/zinc/57/44/55/461574455.db2.gz MYRJVKWQDWQLQF-IBGZPJMESA-N 2 1 330.520 3.138 20 0 EGADMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663345660 461574462 /nfs/dbraw/zinc/57/44/62/461574462.db2.gz MYRJVKWQDWQLQF-IBGZPJMESA-N 2 1 330.520 3.138 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C12CCC2 ZINC000647344660 461648665 /nfs/dbraw/zinc/64/86/65/461648665.db2.gz WKKGPYJLRJFOCD-FUMNGEBKSA-N 2 1 328.500 3.269 20 0 EGADMP C[N@@H+](Cc1cccc(C2CC2)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643293546 461671367 /nfs/dbraw/zinc/67/13/67/461671367.db2.gz RPOZBWBVGOSOKS-OAQYLSRUSA-N 2 1 327.516 3.164 20 0 EGADMP COc1cc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)sn1 ZINC000660270328 461677057 /nfs/dbraw/zinc/67/70/57/461677057.db2.gz TVFWTHGMISNTMS-GJZGRUSLSA-N 2 1 345.512 3.398 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000637809467 461726731 /nfs/dbraw/zinc/72/67/31/461726731.db2.gz YZDXDLLDJVESJW-IBGZPJMESA-N 2 1 337.467 3.257 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643455468 461733290 /nfs/dbraw/zinc/73/32/90/461733290.db2.gz JUXSDBPEUZUJIW-INWMFGNUSA-N 2 1 327.394 3.014 20 0 EGADMP CC[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(OC)c2)CC[C@H]1[NH3+] ZINC000647497590 461735878 /nfs/dbraw/zinc/73/58/78/461735878.db2.gz NFMLXWGMDGEOFK-UONOGXRCSA-N 2 1 346.393 3.196 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(OC)c2)CC[C@H]1[NH3+] ZINC000647497590 461735885 /nfs/dbraw/zinc/73/58/85/461735885.db2.gz NFMLXWGMDGEOFK-UONOGXRCSA-N 2 1 346.393 3.196 20 0 EGADMP CC[C@H]1C[N@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)CC[C@H]1[NH3+] ZINC000647497473 461737722 /nfs/dbraw/zinc/73/77/22/461737722.db2.gz JGLFYMXCNDCVEW-KBXCAEBGSA-N 2 1 348.441 3.327 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)CC[C@H]1[NH3+] ZINC000647497473 461737730 /nfs/dbraw/zinc/73/77/30/461737730.db2.gz JGLFYMXCNDCVEW-KBXCAEBGSA-N 2 1 348.441 3.327 20 0 EGADMP [NH3+]CCCOC1CC[NH+](Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000647506642 461739241 /nfs/dbraw/zinc/73/92/41/461739241.db2.gz ZWCIUFMWUBJMBT-UHFFFAOYSA-N 2 1 348.821 3.271 20 0 EGADMP CC[C@H](C)Oc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1OC ZINC000647511768 461742174 /nfs/dbraw/zinc/74/21/74/461742174.db2.gz AYIUHBISYGHLNR-LEUOFYLZSA-N 2 1 332.488 3.432 20 0 EGADMP Brc1ccc([C@@H]([NH2+]C2CC[NH2+]CC2)[C@@H]2CCCO2)cc1 ZINC000643496179 461744819 /nfs/dbraw/zinc/74/48/19/461744819.db2.gz KEDUUCCNMSJTDH-JKSUJKDBSA-N 2 1 339.277 3.011 20 0 EGADMP Cc1c([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)nnn1-c1ccccc1 ZINC000643523436 461751899 /nfs/dbraw/zinc/75/18/99/461751899.db2.gz DZLANQCOZPJAEC-CQSZACIVSA-N 2 1 333.439 3.030 20 0 EGADMP Cc1ncc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1-c1ccccc1 ZINC000647543173 461757267 /nfs/dbraw/zinc/75/72/67/461757267.db2.gz IPSGUDOMTBFIJK-MOPGFXCFSA-N 2 1 338.499 3.392 20 0 EGADMP CCOCc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OC ZINC000647544361 461759234 /nfs/dbraw/zinc/75/92/34/461759234.db2.gz ZLHMLHZBXRBCSQ-RTBURBONSA-N 2 1 346.515 3.443 20 0 EGADMP COc1cc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543566 461759703 /nfs/dbraw/zinc/75/97/03/461759703.db2.gz PNRRBLKWXDGKAL-IAGOWNOFSA-N 2 1 332.488 3.224 20 0 EGADMP COc1cc2c(c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c1)O[C@H](C)C2 ZINC000647543678 461760311 /nfs/dbraw/zinc/76/03/11/461760311.db2.gz RBFBKBCUGMWSQA-IKGGRYGDSA-N 2 1 344.499 3.230 20 0 EGADMP Cn1ccnc1C[C@@H](NCc1ccc2c(n1)CCC2)c1ccccc1 ZINC000656503605 461769326 /nfs/dbraw/zinc/76/93/26/461769326.db2.gz PQKKSMWCBKYJND-HXUWFJFHSA-N 2 1 332.451 3.377 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@@H+](C)C1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC000639162370 461775754 /nfs/dbraw/zinc/77/57/54/461775754.db2.gz NVAUOHXEDDAFPM-ONYGOOLBSA-N 2 1 330.472 3.248 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH+](C)C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC000639162370 461775759 /nfs/dbraw/zinc/77/57/59/461775759.db2.gz NVAUOHXEDDAFPM-ONYGOOLBSA-N 2 1 330.472 3.248 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH+](C)C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000639162370 461775764 /nfs/dbraw/zinc/77/57/64/461775764.db2.gz NVAUOHXEDDAFPM-ONYGOOLBSA-N 2 1 330.472 3.248 20 0 EGADMP OC[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000639194858 461795678 /nfs/dbraw/zinc/79/56/78/461795678.db2.gz NNSBKRQXSDYONK-HLAWJBBLSA-N 2 1 328.500 3.495 20 0 EGADMP OC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000639194858 461795685 /nfs/dbraw/zinc/79/56/85/461795685.db2.gz NNSBKRQXSDYONK-HLAWJBBLSA-N 2 1 328.500 3.495 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H](O)C(F)(F)F ZINC000643883125 461826264 /nfs/dbraw/zinc/82/62/64/461826264.db2.gz JJHKQVHAEFNDCA-HOTGVXAUSA-N 2 1 336.442 3.321 20 0 EGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000656689981 461843463 /nfs/dbraw/zinc/84/34/63/461843463.db2.gz DMUCBKRXJSXWHM-NHCUHLMSSA-N 2 1 326.484 3.261 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000656689981 461843468 /nfs/dbraw/zinc/84/34/68/461843468.db2.gz DMUCBKRXJSXWHM-NHCUHLMSSA-N 2 1 326.484 3.261 20 0 EGADMP Cc1cc(CO)cc(NCc2ccc(C[NH+]3CCC(C)CC3)cc2)[nH+]1 ZINC000647854134 461859085 /nfs/dbraw/zinc/85/90/85/461859085.db2.gz ATCYYHPAQBTTCO-UHFFFAOYSA-N 2 1 339.483 3.148 20 0 EGADMP CN(CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)CC(F)F ZINC000639356039 461880263 /nfs/dbraw/zinc/88/02/63/461880263.db2.gz FLEUROHWHHQHLW-FUHWJXTLSA-N 2 1 337.458 3.141 20 0 EGADMP CN(CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)CC(F)F ZINC000639356039 461880267 /nfs/dbraw/zinc/88/02/67/461880267.db2.gz FLEUROHWHHQHLW-FUHWJXTLSA-N 2 1 337.458 3.141 20 0 EGADMP CO[C@@](C)(C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1)C1CC1 ZINC000647912362 461881364 /nfs/dbraw/zinc/88/13/64/461881364.db2.gz FXNOPMSLIJODRK-UXHICEINSA-N 2 1 331.504 3.183 20 0 EGADMP CO[C@@](C)(C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1)C1CC1 ZINC000647912362 461881373 /nfs/dbraw/zinc/88/13/73/461881373.db2.gz FXNOPMSLIJODRK-UXHICEINSA-N 2 1 331.504 3.183 20 0 EGADMP CO[C@@](C)(C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1)C1CC1 ZINC000647912362 461881382 /nfs/dbraw/zinc/88/13/82/461881382.db2.gz FXNOPMSLIJODRK-UXHICEINSA-N 2 1 331.504 3.183 20 0 EGADMP CO[C@@](C)(C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1)C1CC1 ZINC000647912362 461881388 /nfs/dbraw/zinc/88/13/88/461881388.db2.gz FXNOPMSLIJODRK-UXHICEINSA-N 2 1 331.504 3.183 20 0 EGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)o1 ZINC000656781949 461892884 /nfs/dbraw/zinc/89/28/84/461892884.db2.gz APRUBDIJBIQAID-MRXNPFEDSA-N 2 1 328.460 3.190 20 0 EGADMP Nc1cccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000656786077 461895373 /nfs/dbraw/zinc/89/53/73/461895373.db2.gz VCCSLYDVOJSXRS-UHFFFAOYSA-N 2 1 327.447 3.205 20 0 EGADMP Brc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000656786754 461897396 /nfs/dbraw/zinc/89/73/96/461897396.db2.gz XJFOVYMIQVTELJ-CQSZACIVSA-N 2 1 338.293 3.056 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705705 461898311 /nfs/dbraw/zinc/89/83/11/461898311.db2.gz RUVPLCRLOSBMNF-CMKODMSKSA-N 2 1 332.488 3.194 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3nc4ccc(F)cc4s3)C2)C1 ZINC000650707443 461901689 /nfs/dbraw/zinc/90/16/89/461901689.db2.gz GKWGUFFICJNBLK-XNRPHZJLSA-N 2 1 349.475 3.154 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997129 461904058 /nfs/dbraw/zinc/90/40/58/461904058.db2.gz YCAQETBGOONRBB-LJQANCHMSA-N 2 1 329.532 3.409 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997129 461904063 /nfs/dbraw/zinc/90/40/63/461904063.db2.gz YCAQETBGOONRBB-LJQANCHMSA-N 3 1 329.532 3.409 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997129 461904071 /nfs/dbraw/zinc/90/40/71/461904071.db2.gz YCAQETBGOONRBB-LJQANCHMSA-N 3 1 329.532 3.409 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000650711738 461904939 /nfs/dbraw/zinc/90/49/39/461904939.db2.gz BWOPQQBNARMBRD-AUUYWEPGSA-N 2 1 330.451 3.269 20 0 EGADMP c1ccc(COc2ccccc2C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)nc1 ZINC000666998513 461905896 /nfs/dbraw/zinc/90/58/96/461905896.db2.gz XXXCAISXKSYEFL-GOSISDBHSA-N 2 1 337.467 3.425 20 0 EGADMP C[N@H+]1CC[C@@]2(C1)CCCN(CCSc1ccc(F)cc1F)C2 ZINC000660664658 461912310 /nfs/dbraw/zinc/91/23/10/461912310.db2.gz RISYUQUBWAWQHA-QGZVFWFLSA-N 2 1 326.456 3.475 20 0 EGADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1F ZINC000650723091 461913761 /nfs/dbraw/zinc/91/37/61/461913761.db2.gz HKJCKOKLGUYZBP-SUMDDJOVSA-N 2 1 336.451 3.085 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722639 461914032 /nfs/dbraw/zinc/91/40/32/461914032.db2.gz YMIQPWOUKMKZRJ-RLLQIKCJSA-N 2 1 332.488 3.336 20 0 EGADMP c1ccc(C(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2)cc1 ZINC000647971871 461914273 /nfs/dbraw/zinc/91/42/73/461914273.db2.gz WTFOMESCMZVETL-RTWAWAEBSA-N 2 1 336.479 3.334 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1Cl ZINC000650722758 461915181 /nfs/dbraw/zinc/91/51/81/461915181.db2.gz AOLQWCPVMHQNEI-KYJSFNMBSA-N 2 1 338.879 3.209 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2F)C1 ZINC000650723713 461915683 /nfs/dbraw/zinc/91/56/83/461915683.db2.gz SGDXEZUDPTVSGP-DJIMGWMZSA-N 2 1 326.843 3.340 20 0 EGADMP Cc1ccccc1-c1noc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647975742 461916969 /nfs/dbraw/zinc/91/69/69/461916969.db2.gz FKCQFHMLOSCOSN-IAGOWNOFSA-N 2 1 340.471 3.257 20 0 EGADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000647975917 461917170 /nfs/dbraw/zinc/91/71/70/461917170.db2.gz HOVTVRFSWXYFSP-CVEARBPZSA-N 2 1 349.906 3.380 20 0 EGADMP CC(C)(C)c1cnc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650725397 461917686 /nfs/dbraw/zinc/91/76/86/461917686.db2.gz ZUCJLNSOILBYIY-RRFJBIMHSA-N 2 1 337.533 3.301 20 0 EGADMP CC(C)(C)c1cnc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650725397 461917691 /nfs/dbraw/zinc/91/76/91/461917691.db2.gz ZUCJLNSOILBYIY-RRFJBIMHSA-N 2 1 337.533 3.301 20 0 EGADMP c1cc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)cs1 ZINC000647976958 461918394 /nfs/dbraw/zinc/91/83/94/461918394.db2.gz WJHXPMHLIVCCTK-KBPBESRZSA-N 2 1 332.473 3.010 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000648047955 461958756 /nfs/dbraw/zinc/95/87/56/461958756.db2.gz VJWRVCCLEWNVPW-ICSRJNTNSA-N 2 1 332.488 3.018 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(-c3ccccn3)c1)CCO2 ZINC000648071651 461967842 /nfs/dbraw/zinc/96/78/42/461967842.db2.gz NEHRAYGADRZJRO-UHFFFAOYSA-N 2 1 337.467 3.045 20 0 EGADMP C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)Cc1cccs1 ZINC000644575546 461992420 /nfs/dbraw/zinc/99/24/20/461992420.db2.gz GOEDAWBLNZINDD-WMZOPIPTSA-N 2 1 332.513 3.009 20 0 EGADMP C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)Cc1cccs1 ZINC000644575546 461992427 /nfs/dbraw/zinc/99/24/27/461992427.db2.gz GOEDAWBLNZINDD-WMZOPIPTSA-N 2 1 332.513 3.009 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000639592873 462009138 /nfs/dbraw/zinc/00/91/38/462009138.db2.gz QFAYHKQMPVKKAX-QGZVFWFLSA-N 2 1 337.471 3.115 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000639592873 462009142 /nfs/dbraw/zinc/00/91/42/462009142.db2.gz QFAYHKQMPVKKAX-QGZVFWFLSA-N 2 1 337.471 3.115 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000644638602 462017787 /nfs/dbraw/zinc/01/77/87/462017787.db2.gz XMNLUZGDTQLLFI-JBACZVJFSA-N 2 1 342.458 3.154 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000644638602 462017795 /nfs/dbraw/zinc/01/77/95/462017795.db2.gz XMNLUZGDTQLLFI-JBACZVJFSA-N 2 1 342.458 3.154 20 0 EGADMP Cc1c(Br)cncc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000657296033 462025351 /nfs/dbraw/zinc/02/53/51/462025351.db2.gz OHJNNJTWAJXQMQ-UHFFFAOYSA-N 2 1 326.282 3.118 20 0 EGADMP Clc1ccc2nc(C[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)cn2c1 ZINC000639682099 462055346 /nfs/dbraw/zinc/05/53/46/462055346.db2.gz KOLJECYNLHIFRQ-UHFFFAOYSA-N 2 1 341.846 3.095 20 0 EGADMP Clc1ccc2nc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)cn2c1 ZINC000639682099 462055351 /nfs/dbraw/zinc/05/53/51/462055351.db2.gz KOLJECYNLHIFRQ-UHFFFAOYSA-N 2 1 341.846 3.095 20 0 EGADMP c1cn(C2CCCC2)nc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683012 462055619 /nfs/dbraw/zinc/05/56/19/462055619.db2.gz QSGCVHXZSJKDKF-UHFFFAOYSA-N 2 1 325.460 3.106 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2cc(Cl)cnc2o1 ZINC000648384619 462092904 /nfs/dbraw/zinc/09/29/04/462092904.db2.gz HZXAWXMCPOHTHS-OIISXLGYSA-N 2 1 349.862 3.165 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc2cc(Cl)cnc2o1 ZINC000648384619 462092910 /nfs/dbraw/zinc/09/29/10/462092910.db2.gz HZXAWXMCPOHTHS-OIISXLGYSA-N 2 1 349.862 3.165 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000657537992 462171594 /nfs/dbraw/zinc/17/15/94/462171594.db2.gz KCNXEJCFMNOFDR-HNNXBMFYSA-N 2 1 344.890 3.417 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccncn1 ZINC000651324303 462179732 /nfs/dbraw/zinc/17/97/32/462179732.db2.gz ZBRRKLHQLSZEKQ-MCNSAMFCSA-N 2 1 336.483 3.428 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccncn1 ZINC000651324303 462179736 /nfs/dbraw/zinc/17/97/36/462179736.db2.gz ZBRRKLHQLSZEKQ-MCNSAMFCSA-N 2 1 336.483 3.428 20 0 EGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000667668224 462201463 /nfs/dbraw/zinc/20/14/63/462201463.db2.gz GNJCAXAXBQFVNV-AZUAARDMSA-N 2 1 332.488 3.161 20 0 EGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000667668224 462201468 /nfs/dbraw/zinc/20/14/68/462201468.db2.gz GNJCAXAXBQFVNV-AZUAARDMSA-N 2 1 332.488 3.161 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000667668224 462201473 /nfs/dbraw/zinc/20/14/73/462201473.db2.gz GNJCAXAXBQFVNV-AZUAARDMSA-N 2 1 332.488 3.161 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000667668224 462201475 /nfs/dbraw/zinc/20/14/75/462201475.db2.gz GNJCAXAXBQFVNV-AZUAARDMSA-N 2 1 332.488 3.161 20 0 EGADMP CCC1([NH+]2CCCC2)CC[NH+](CCc2nc3ccccc3n2C)CC1 ZINC000639986436 462206532 /nfs/dbraw/zinc/20/65/32/462206532.db2.gz NAUZZJLFMWHRKQ-UHFFFAOYSA-N 2 1 340.515 3.456 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000667705534 462224166 /nfs/dbraw/zinc/22/41/66/462224166.db2.gz FXSOXHGSCSHNHV-QRFRQXIXSA-N 2 1 332.488 3.016 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000667705534 462224173 /nfs/dbraw/zinc/22/41/73/462224173.db2.gz FXSOXHGSCSHNHV-QRFRQXIXSA-N 2 1 332.488 3.016 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000667705534 462224179 /nfs/dbraw/zinc/22/41/79/462224179.db2.gz FXSOXHGSCSHNHV-QRFRQXIXSA-N 2 1 332.488 3.016 20 0 EGADMP Cc1[nH+]cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1C ZINC000667705747 462224268 /nfs/dbraw/zinc/22/42/68/462224268.db2.gz JXBARSJPKVLLEQ-FPOVZHCZSA-N 2 1 338.499 3.215 20 0 EGADMP Cc1[nH+]cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1C ZINC000667705747 462224276 /nfs/dbraw/zinc/22/42/76/462224276.db2.gz JXBARSJPKVLLEQ-FPOVZHCZSA-N 2 1 338.499 3.215 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@H+]1C ZINC000648754573 462262895 /nfs/dbraw/zinc/26/28/95/462262895.db2.gz PXATXFZYENCSCD-YLJYHZDGSA-N 2 1 343.515 3.019 20 0 EGADMP CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000651613440 462278285 /nfs/dbraw/zinc/27/82/85/462278285.db2.gz YRMIRCSTTYRRHH-UHFFFAOYSA-N 2 1 344.503 3.019 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+]CC3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000657812097 462280257 /nfs/dbraw/zinc/28/02/57/462280257.db2.gz KABYVZKNYIJYBS-UHFFFAOYSA-N 3 1 341.543 3.363 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCn3nccc32)[C@H]1c1cccs1 ZINC000657886310 462307858 /nfs/dbraw/zinc/30/78/58/462307858.db2.gz DSPYZVYGBAOIHK-RKVPGOIHSA-N 2 1 330.501 3.452 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCn3nccc32)[C@H]1c1cccs1 ZINC000657886310 462307861 /nfs/dbraw/zinc/30/78/61/462307861.db2.gz DSPYZVYGBAOIHK-RKVPGOIHSA-N 2 1 330.501 3.452 20 0 EGADMP CC1(C)[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000657891506 462309630 /nfs/dbraw/zinc/30/96/30/462309630.db2.gz ZWFBMXVUQPPHKC-HDAAZOAOSA-N 2 1 328.500 3.038 20 0 EGADMP CC1(C)[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000657891506 462309637 /nfs/dbraw/zinc/30/96/37/462309637.db2.gz ZWFBMXVUQPPHKC-HDAAZOAOSA-N 2 1 328.500 3.038 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(C(F)F)nc1 ZINC000657926166 462320052 /nfs/dbraw/zinc/32/00/52/462320052.db2.gz QXTBAVQUSOOTQQ-ZLIFDBKOSA-N 2 1 339.430 3.048 20 0 EGADMP c1nnn(-c2ccccc2)c1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000651749733 462324538 /nfs/dbraw/zinc/32/45/38/462324538.db2.gz HEFCJBMXUJFQNE-UHFFFAOYSA-N 2 1 347.466 3.153 20 0 EGADMP COc1cc(OC)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000651810333 462344190 /nfs/dbraw/zinc/34/41/90/462344190.db2.gz SXIPTLRWMVOENP-OAHLLOKOSA-N 2 1 336.451 3.007 20 0 EGADMP c1ccc([C@@H]2C[C@@H](N[C@@H]3CC[N@H+](C4CCCCC4)C3)CC[NH2+]2)cc1 ZINC000665268314 462377152 /nfs/dbraw/zinc/37/71/52/462377152.db2.gz MDZSZUUCUBJEPX-ZVDOUQERSA-N 2 1 327.516 3.476 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000668027996 462381434 /nfs/dbraw/zinc/38/14/34/462381434.db2.gz VTLHTYJNJUKKIU-QGZVFWFLSA-N 2 1 332.488 3.161 20 0 EGADMP C([NH+]1CC[C@@H](C2CCC2)C1)C1(C[N@H+]2CC[C@H](C3CCC3)C2)COC1 ZINC000665288231 462385891 /nfs/dbraw/zinc/38/58/91/462385891.db2.gz HUKNJZKUSQIGGV-BGYRXZFFSA-N 2 1 332.532 3.247 20 0 EGADMP C([NH+]1CC[C@H](C2CCC2)C1)C1(C[N@@H+]2CC[C@@H](C3CCC3)C2)COC1 ZINC000665288231 462385897 /nfs/dbraw/zinc/38/58/97/462385897.db2.gz HUKNJZKUSQIGGV-BGYRXZFFSA-N 2 1 332.532 3.247 20 0 EGADMP C([NH+]1CC[C@H](C2CCC2)C1)C1(C[N@H+]2CC[C@@H](C3CCC3)C2)COC1 ZINC000665288231 462385901 /nfs/dbraw/zinc/38/59/01/462385901.db2.gz HUKNJZKUSQIGGV-BGYRXZFFSA-N 2 1 332.532 3.247 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000654980843 462438018 /nfs/dbraw/zinc/43/80/18/462438018.db2.gz VSRVGDLOCCGELM-KRWDZBQOSA-N 2 1 349.906 3.030 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC2(CCC[N@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000654980843 462438024 /nfs/dbraw/zinc/43/80/24/462438024.db2.gz VSRVGDLOCCGELM-KRWDZBQOSA-N 2 1 349.906 3.030 20 0 EGADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cc(OC)c(OC)c(OC)c1 ZINC000652141411 462448623 /nfs/dbraw/zinc/44/86/23/462448623.db2.gz OOUKMEHPQIHIQW-MRXNPFEDSA-N 2 1 347.459 3.348 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCc3c2cnn3C)cc1F ZINC000153733135 518193308 /nfs/dbraw/zinc/19/33/08/518193308.db2.gz LODJSGOQGBXIIJ-QGZVFWFLSA-N 2 1 339.418 3.221 20 0 EGADMP CC[NH+](CC)CCC[NH+]1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000191813837 528103609 /nfs/dbraw/zinc/10/36/09/528103609.db2.gz XRSWOOLSRUZSBD-UHFFFAOYSA-N 2 1 349.519 3.312 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C(=O)OC)cc1 ZINC000191490339 528866205 /nfs/dbraw/zinc/86/62/05/528866205.db2.gz RSJMQJFNXCFQMO-UHFFFAOYSA-N 2 1 329.444 3.144 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C(=O)OC)cc1 ZINC000191490339 528866208 /nfs/dbraw/zinc/86/62/08/528866208.db2.gz RSJMQJFNXCFQMO-UHFFFAOYSA-N 2 1 329.444 3.144 20 0 EGADMP CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000344475040 535776654 /nfs/dbraw/zinc/77/66/54/535776654.db2.gz XXRYAWWGISTUDQ-HDICACEKSA-N 2 1 343.515 3.227 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CCN1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000351692168 536353551 /nfs/dbraw/zinc/35/35/51/536353551.db2.gz LEUAYQCBOGISED-HXUWFJFHSA-N 2 1 333.495 3.208 20 0 EGADMP C[NH+]1CCCC[C@@H]1CCN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000351692168 536353553 /nfs/dbraw/zinc/35/35/53/536353553.db2.gz LEUAYQCBOGISED-HXUWFJFHSA-N 2 1 333.495 3.208 20 0 EGADMP C[NH+]1CCCC[C@@H]1CCN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000351692168 536353557 /nfs/dbraw/zinc/35/35/57/536353557.db2.gz LEUAYQCBOGISED-HXUWFJFHSA-N 2 1 333.495 3.208 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000351692168 536353560 /nfs/dbraw/zinc/35/35/60/536353560.db2.gz LEUAYQCBOGISED-HXUWFJFHSA-N 2 1 333.495 3.208 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000351692168 536353562 /nfs/dbraw/zinc/35/35/62/536353562.db2.gz LEUAYQCBOGISED-HXUWFJFHSA-N 2 1 333.495 3.208 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000351692168 536353564 /nfs/dbraw/zinc/35/35/64/536353564.db2.gz LEUAYQCBOGISED-HXUWFJFHSA-N 2 1 333.495 3.208 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000351692168 536353566 /nfs/dbraw/zinc/35/35/66/536353566.db2.gz LEUAYQCBOGISED-HXUWFJFHSA-N 2 1 333.495 3.208 20 0 EGADMP Cc1noc([C@@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092821655 546679121 /nfs/dbraw/zinc/67/91/21/546679121.db2.gz YEBSLFSGNISHOD-CQSZACIVSA-N 2 1 329.448 3.073 20 0 EGADMP Cc1noc([C@@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092821655 546679126 /nfs/dbraw/zinc/67/91/26/546679126.db2.gz YEBSLFSGNISHOD-CQSZACIVSA-N 2 1 329.448 3.073 20 0 EGADMP Cc1ccc(-c2cc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)on2)cc1 ZINC000151314639 546853380 /nfs/dbraw/zinc/85/33/80/546853380.db2.gz HFCXDCXTZPPRQI-UHFFFAOYSA-N 2 1 334.423 3.367 20 0 EGADMP CC(=O)Nc1cccc(CN[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000155436936 546902864 /nfs/dbraw/zinc/90/28/64/546902864.db2.gz FTFAQTADSKCWOV-IERDGZPVSA-N 2 1 337.467 3.398 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(N2CCCC2=O)c1 ZINC000161620358 546958412 /nfs/dbraw/zinc/95/84/12/546958412.db2.gz UKLOOZDXJHOYPM-CGTJXYLNSA-N 2 1 327.472 3.091 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(N2CCCC2=O)c1 ZINC000161620358 546958415 /nfs/dbraw/zinc/95/84/15/546958415.db2.gz UKLOOZDXJHOYPM-CGTJXYLNSA-N 2 1 327.472 3.091 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCc4ccc(F)cc43)CC2)nc(C)[nH+]1 ZINC000178695553 547038740 /nfs/dbraw/zinc/03/87/40/547038740.db2.gz XMDIUIAXHQAVRP-LJQANCHMSA-N 2 1 340.446 3.478 20 0 EGADMP CC[NH+]1CCN(c2ccc(N[C@H]3CC[N@@H+](C)[C@H](C)C3)c(C)c2)CC1 ZINC000182566465 547081828 /nfs/dbraw/zinc/08/18/28/547081828.db2.gz ABNOPERELKBEIO-MSOLQXFVSA-N 2 1 330.520 3.032 20 0 EGADMP CC[NH+]1CCN(c2ccc(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c(C)c2)CC1 ZINC000245591621 547265554 /nfs/dbraw/zinc/26/55/54/547265554.db2.gz ABNOPERELKBEIO-ZWKOTPCHSA-N 2 1 330.520 3.032 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)CC2 ZINC000279975918 547369209 /nfs/dbraw/zinc/36/92/09/547369209.db2.gz DIBGRHNHHSDPOP-GOSISDBHSA-N 2 1 332.488 3.401 20 0 EGADMP CCc1cc(NCc2ccc(OC3CC[NH+](C)CC3)cc2)nc(C)[nH+]1 ZINC000286469737 547394814 /nfs/dbraw/zinc/39/48/14/547394814.db2.gz OJKYUBVFVIICPA-UHFFFAOYSA-N 2 1 340.471 3.433 20 0 EGADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCOCC1 ZINC000339075617 547568587 /nfs/dbraw/zinc/56/85/87/547568587.db2.gz QOWCPWLPAZFRQM-MOPGFXCFSA-N 2 1 328.500 3.260 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000339229359 547571474 /nfs/dbraw/zinc/57/14/74/547571474.db2.gz GZSIJOMAUGUCHW-QUCCMNQESA-N 2 1 343.515 3.204 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000339239536 547571585 /nfs/dbraw/zinc/57/15/85/547571585.db2.gz ZNVGWJBOSUVBEC-IRXDYDNUSA-N 2 1 349.544 3.266 20 0 EGADMP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@H](C)[C@@H](C)O1 ZINC000446072588 547924340 /nfs/dbraw/zinc/92/43/40/547924340.db2.gz VBJOKPGRLWMMOB-JWXAEQQXSA-N 2 1 326.525 3.152 20 0 EGADMP C[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@H](C)[C@@H](C)O1 ZINC000446072588 547924344 /nfs/dbraw/zinc/92/43/44/547924344.db2.gz VBJOKPGRLWMMOB-JWXAEQQXSA-N 2 1 326.525 3.152 20 0 EGADMP C[C@@H]1C[N@H+](CCCCC[NH+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@H](C)[C@@H](C)O1 ZINC000446072588 547924348 /nfs/dbraw/zinc/92/43/48/547924348.db2.gz VBJOKPGRLWMMOB-JWXAEQQXSA-N 2 1 326.525 3.152 20 0 EGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000671309258 548276470 /nfs/dbraw/zinc/27/64/70/548276470.db2.gz QTHRGMNBGKYRRC-RTWAWAEBSA-N 2 1 344.499 3.305 20 0 EGADMP C([NH+]1CCC[C@@H](C2CC2)C1)C1(C[N@H+]2CCC[C@H](C3CC3)C2)COC1 ZINC000677040851 549197060 /nfs/dbraw/zinc/19/70/60/549197060.db2.gz ZJKHVDHEFCSTHB-BGYRXZFFSA-N 2 1 332.532 3.247 20 0 EGADMP C([NH+]1CCC[C@H](C2CC2)C1)C1(C[N@@H+]2CCC[C@@H](C3CC3)C2)COC1 ZINC000677040851 549197064 /nfs/dbraw/zinc/19/70/64/549197064.db2.gz ZJKHVDHEFCSTHB-BGYRXZFFSA-N 2 1 332.532 3.247 20 0 EGADMP C([NH+]1CCC[C@H](C2CC2)C1)C1(C[N@H+]2CCC[C@@H](C3CC3)C2)COC1 ZINC000677040851 549197065 /nfs/dbraw/zinc/19/70/65/549197065.db2.gz ZJKHVDHEFCSTHB-BGYRXZFFSA-N 2 1 332.532 3.247 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000677194221 549226812 /nfs/dbraw/zinc/22/68/12/549226812.db2.gz RKFXLLRBZPGRHW-KRWDZBQOSA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000677194221 549226814 /nfs/dbraw/zinc/22/68/14/549226814.db2.gz RKFXLLRBZPGRHW-KRWDZBQOSA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000677194221 549226818 /nfs/dbraw/zinc/22/68/18/549226818.db2.gz RKFXLLRBZPGRHW-KRWDZBQOSA-N 2 1 331.504 3.085 20 0 EGADMP Clc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000677237974 549235282 /nfs/dbraw/zinc/23/52/82/549235282.db2.gz SPORKHUWCBIOHI-AYBZRNKSSA-N 2 1 333.907 3.383 20 0 EGADMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(C)n1 ZINC000678412052 549486372 /nfs/dbraw/zinc/48/63/72/549486372.db2.gz OOQWHUUMZHNBFR-KRWDZBQOSA-N 2 1 339.483 3.381 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000679673886 549755748 /nfs/dbraw/zinc/75/57/48/549755748.db2.gz OCNYKJJWPCXMOU-INIZCTEOSA-N 2 1 341.377 3.007 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000679673886 549755751 /nfs/dbraw/zinc/75/57/51/549755751.db2.gz OCNYKJJWPCXMOU-INIZCTEOSA-N 2 1 341.377 3.007 20 0 EGADMP OCc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000680144309 549827120 /nfs/dbraw/zinc/82/71/20/549827120.db2.gz MWTPLXXRGIFNHW-DZFGPLHGSA-N 2 1 340.467 3.162 20 0 EGADMP OCc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000680144309 549827122 /nfs/dbraw/zinc/82/71/22/549827122.db2.gz MWTPLXXRGIFNHW-DZFGPLHGSA-N 2 1 340.467 3.162 20 0 EGADMP c1nc2c(s1)C[N@H+](Cc1ccc(OCC[NH+]3CCCC3)cc1)CC2 ZINC000682169652 550081343 /nfs/dbraw/zinc/08/13/43/550081343.db2.gz IRRWKDZJNNLIAF-UHFFFAOYSA-N 2 1 343.496 3.176 20 0 EGADMP c1nc2c(s1)C[N@@H+](Cc1ccc(OCC[NH+]3CCCC3)cc1)CC2 ZINC000682169652 550081345 /nfs/dbraw/zinc/08/13/45/550081345.db2.gz IRRWKDZJNNLIAF-UHFFFAOYSA-N 2 1 343.496 3.176 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000684023295 550283267 /nfs/dbraw/zinc/28/32/67/550283267.db2.gz YXUVPORUALDJSF-UHFFFAOYSA-N 2 1 340.515 3.158 20 0 EGADMP C[C@@H](CO)[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)CC1CCC1 ZINC000685431557 550415833 /nfs/dbraw/zinc/41/58/33/550415833.db2.gz OMVURXPYDXDDDP-SFHVURJKSA-N 2 1 346.515 3.144 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000685451854 550417824 /nfs/dbraw/zinc/41/78/24/550417824.db2.gz ZOEQABDLWWZPKK-HXUWFJFHSA-N 2 1 325.456 3.359 20 0 EGADMP CCC[N@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000685462548 550419758 /nfs/dbraw/zinc/41/97/58/550419758.db2.gz LLZVUDCULBDSEG-UHFFFAOYSA-N 2 1 330.476 3.249 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000685462548 550419759 /nfs/dbraw/zinc/41/97/59/550419759.db2.gz LLZVUDCULBDSEG-UHFFFAOYSA-N 2 1 330.476 3.249 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CCCC[NH+]2CCCC2)c1 ZINC000729334614 574843341 /nfs/dbraw/zinc/84/33/41/574843341.db2.gz PQVAZCIJZDNDBC-UHFFFAOYSA-N 2 1 331.504 3.021 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC000733778751 575392499 /nfs/dbraw/zinc/39/24/99/575392499.db2.gz GLBSOFQXHLPFEH-VQTJNVASSA-N 2 1 349.563 3.366 20 0 EGADMP Fc1cc(F)cc(Oc2ccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc2)c1 ZINC000678343736 576168112 /nfs/dbraw/zinc/16/81/12/576168112.db2.gz ZNDPHLHITODJRW-HUUCEWRRSA-N 2 1 330.378 3.408 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3cc(OC)ccc23)C[C@@H]1C ZINC000740886104 576633899 /nfs/dbraw/zinc/63/38/99/576633899.db2.gz GNFHJFLPOYDVNQ-HOCLYGCPSA-N 2 1 344.455 3.106 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3cc(OC)ccc23)C[C@@H]1C ZINC000740886104 576633902 /nfs/dbraw/zinc/63/39/02/576633902.db2.gz GNFHJFLPOYDVNQ-HOCLYGCPSA-N 2 1 344.455 3.106 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(=O)oc3cc(OC)ccc23)C[C@@H]1C ZINC000740886104 576633904 /nfs/dbraw/zinc/63/39/04/576633904.db2.gz GNFHJFLPOYDVNQ-HOCLYGCPSA-N 2 1 344.455 3.106 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(=O)oc3cc(OC)ccc23)C[C@@H]1C ZINC000740886104 576633907 /nfs/dbraw/zinc/63/39/07/576633907.db2.gz GNFHJFLPOYDVNQ-HOCLYGCPSA-N 2 1 344.455 3.106 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC[NH2+]1 ZINC000691736563 1298137991 /nfs/dbraw/zinc/13/79/91/1298137991.db2.gz WWMSBSZDJSKPLW-QUCCMNQESA-N 3 1 327.516 3.115 20 0 EGADMP COc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1Br ZINC000034991697 1291391057 /nfs/dbraw/zinc/39/10/57/1291391057.db2.gz OSSUQXQIZJWOBV-UHFFFAOYSA-N 2 1 329.282 3.135 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000061012163 1291957361 /nfs/dbraw/zinc/95/73/61/1291957361.db2.gz SOPVVBFUFRTTGX-UHFFFAOYSA-N 2 1 332.467 3.306 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000065750128 1292090972 /nfs/dbraw/zinc/09/09/72/1292090972.db2.gz OJVUWYYHENMJCD-UHFFFAOYSA-N 2 1 342.487 3.128 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000065750128 1292090981 /nfs/dbraw/zinc/09/09/81/1292090981.db2.gz OJVUWYYHENMJCD-UHFFFAOYSA-N 2 1 342.487 3.128 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000067222685 1292154045 /nfs/dbraw/zinc/15/40/45/1292154045.db2.gz VLXJZJSYHSTWLH-HXUWFJFHSA-N 2 1 339.483 3.482 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000067700957 1292169068 /nfs/dbraw/zinc/16/90/68/1292169068.db2.gz ITXSGYSWKXRUOB-UHFFFAOYSA-N 2 1 340.471 3.249 20 0 EGADMP CCCOc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000076763290 1292441039 /nfs/dbraw/zinc/44/10/39/1292441039.db2.gz KOUNZBYLXBHEIF-GOSISDBHSA-N 2 1 332.488 3.066 20 0 EGADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1c(F)cccc1F ZINC000077221228 1292457435 /nfs/dbraw/zinc/45/74/35/1292457435.db2.gz WVGIQAOQRQUOJJ-IBGZPJMESA-N 2 1 346.421 3.252 20 0 EGADMP C[C@H](C[NH2+]Cc1cnn(-c2ccc(F)cc2)c1)C[NH+]1CCCCC1 ZINC000077401924 1292462552 /nfs/dbraw/zinc/46/25/52/1292462552.db2.gz PCFLSVRPKOONBO-MRXNPFEDSA-N 2 1 330.451 3.223 20 0 EGADMP CO[C@@H]1CC[N@@H+](CCCCCC[NH+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000831534026 1292879622 /nfs/dbraw/zinc/87/96/22/1292879622.db2.gz MLNYNUDUNQYYRL-WTGUMLROSA-N 2 1 340.552 3.260 20 0 EGADMP CO[C@@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000831534026 1292879635 /nfs/dbraw/zinc/87/96/35/1292879635.db2.gz MLNYNUDUNQYYRL-WTGUMLROSA-N 2 1 340.552 3.260 20 0 EGADMP CO[C@@H]1CC[NH+](CCCCCC[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000831534026 1292879649 /nfs/dbraw/zinc/87/96/49/1292879649.db2.gz MLNYNUDUNQYYRL-WTGUMLROSA-N 2 1 340.552 3.260 20 0 EGADMP CCc1oc2ccccc2c1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000105451309 1293037668 /nfs/dbraw/zinc/03/76/68/1293037668.db2.gz KZKVNOWUUMAXCK-UHFFFAOYSA-N 2 1 343.515 3.358 20 0 EGADMP CC(=O)N1CCC([NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000109068223 1293086812 /nfs/dbraw/zinc/08/68/12/1293086812.db2.gz BTOGTVZTQMOMNL-QGZVFWFLSA-N 2 1 343.515 3.019 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)c1ccco1 ZINC000834501518 1293107094 /nfs/dbraw/zinc/10/70/94/1293107094.db2.gz BVCYPRBGUJZBKC-UAFMIMERSA-N 2 1 340.467 3.346 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834530049 1293111599 /nfs/dbraw/zinc/11/15/99/1293111599.db2.gz AAWNIIDUKTURCJ-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP Cc1nn(C)c(C)c1C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000116368687 1293204268 /nfs/dbraw/zinc/20/42/68/1293204268.db2.gz RRMHDXMRQWYSAS-MRXNPFEDSA-N 2 1 326.488 3.352 20 0 EGADMP Cc1noc(C)c1C[NH+](C)CCCC[N@H+](C)Cc1c(C)noc1C ZINC000118401541 1293236436 /nfs/dbraw/zinc/23/64/36/1293236436.db2.gz LJAPIWHGPJWLOK-UHFFFAOYSA-N 2 1 334.464 3.240 20 0 EGADMP Cc1cn2c(C[NH2+]C[C@H]3CCC[N@@H+](CC(C)C)C3)c(C)nc2s1 ZINC000120761579 1293337890 /nfs/dbraw/zinc/33/78/90/1293337890.db2.gz WFPOSLVPZVAHKP-MRXNPFEDSA-N 2 1 334.533 3.470 20 0 EGADMP Cc1cn2c(C[NH2+]C[C@H]3CCC[N@H+](CC(C)C)C3)c(C)nc2s1 ZINC000120761579 1293337900 /nfs/dbraw/zinc/33/79/00/1293337900.db2.gz WFPOSLVPZVAHKP-MRXNPFEDSA-N 2 1 334.533 3.470 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000130726533 1293666541 /nfs/dbraw/zinc/66/65/41/1293666541.db2.gz XWPMVRUIVVUAFG-DLBZAZTESA-N 2 1 339.524 3.098 20 0 EGADMP CC[N@H+]1CC[C@@H](CNCc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000130770100 1293667997 /nfs/dbraw/zinc/66/79/97/1293667997.db2.gz FKYPGSQPDDUYKP-LBPRGKRZSA-N 2 1 340.393 3.024 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000164604763 1294351462 /nfs/dbraw/zinc/35/14/62/1294351462.db2.gz KVCBYFVFQGIRMP-AHRSYUTCSA-N 2 1 343.515 3.052 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])CC3)cc2)C1 ZINC000870866443 1296121441 /nfs/dbraw/zinc/12/14/41/1296121441.db2.gz WHEMDKYOAUHKPL-KBAYOESNSA-N 2 1 329.488 3.375 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CC[C@@H]([NH3+])CC3)cc2)C1 ZINC000870866090 1296121478 /nfs/dbraw/zinc/12/14/78/1296121478.db2.gz MZPYCHCEMLCLBZ-AHRSYUTCSA-N 2 1 343.515 3.052 20 0 EGADMP CN(C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000248043255 1296403941 /nfs/dbraw/zinc/40/39/41/1296403941.db2.gz MLLCYQDUGATIDF-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP CN(C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000248043255 1296403947 /nfs/dbraw/zinc/40/39/47/1296403947.db2.gz MLLCYQDUGATIDF-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP CN(C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000248043255 1296403957 /nfs/dbraw/zinc/40/39/57/1296403957.db2.gz MLLCYQDUGATIDF-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2OC(F)F)C[C@H]1c1ccccc1 ZINC000261788389 1296603005 /nfs/dbraw/zinc/60/30/05/1296603005.db2.gz PZVFMBWXZQTOGH-SJORKVTESA-N 2 1 332.394 3.462 20 0 EGADMP CCOc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc(Cl)c1OC ZINC000262013466 1296614904 /nfs/dbraw/zinc/61/49/04/1296614904.db2.gz MKQMSSAOAPBBIJ-UHFFFAOYSA-N 2 1 338.879 3.323 20 0 EGADMP CCOc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OC(F)F ZINC000262028264 1296616592 /nfs/dbraw/zinc/61/65/92/1296616592.db2.gz NSFRTAQBAWVYFY-UHFFFAOYSA-N 2 1 340.414 3.262 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccc(O)c1F ZINC000872026030 1296672151 /nfs/dbraw/zinc/67/21/51/1296672151.db2.gz XVYVNRLCGWGXMP-CQSZACIVSA-N 2 1 332.419 3.323 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)[C@@H](n2cncn2)C1 ZINC000283887806 1296733793 /nfs/dbraw/zinc/73/37/93/1296733793.db2.gz CKBAJHUMGIRZOO-RLLQIKCJSA-N 2 1 341.503 3.120 20 0 EGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000872145225 1296766518 /nfs/dbraw/zinc/76/65/18/1296766518.db2.gz QAPIPQCXFNSDNT-CABCVRRESA-N 2 1 332.366 3.017 20 0 EGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000300366720 1296781321 /nfs/dbraw/zinc/78/13/21/1296781321.db2.gz FSQYJKSIFXXWOW-CVEARBPZSA-N 2 1 327.513 3.144 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000300366720 1296781328 /nfs/dbraw/zinc/78/13/28/1296781328.db2.gz FSQYJKSIFXXWOW-CVEARBPZSA-N 2 1 327.513 3.144 20 0 EGADMP OC1(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCCCC1 ZINC000310199104 1297092599 /nfs/dbraw/zinc/09/25/99/1297092599.db2.gz BNHNVJAZZGNGII-UXHICEINSA-N 2 1 328.500 3.136 20 0 EGADMP OC1(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCCCC1 ZINC000310199104 1297092611 /nfs/dbraw/zinc/09/26/11/1297092611.db2.gz BNHNVJAZZGNGII-UXHICEINSA-N 2 1 328.500 3.136 20 0 EGADMP OC1(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCCCC1 ZINC000310199104 1297092625 /nfs/dbraw/zinc/09/26/25/1297092625.db2.gz BNHNVJAZZGNGII-UXHICEINSA-N 2 1 328.500 3.136 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204383 1297349801 /nfs/dbraw/zinc/34/98/01/1297349801.db2.gz COWYCMOWRYFRGI-SJORKVTESA-N 3 1 347.572 3.480 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204383 1297349817 /nfs/dbraw/zinc/34/98/17/1297349817.db2.gz COWYCMOWRYFRGI-SJORKVTESA-N 3 1 347.572 3.480 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204383 1297349829 /nfs/dbraw/zinc/34/98/29/1297349829.db2.gz COWYCMOWRYFRGI-SJORKVTESA-N 3 1 347.572 3.480 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204383 1297349844 /nfs/dbraw/zinc/34/98/44/1297349844.db2.gz COWYCMOWRYFRGI-SJORKVTESA-N 3 1 347.572 3.480 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204383 1297349862 /nfs/dbraw/zinc/34/98/62/1297349862.db2.gz COWYCMOWRYFRGI-SJORKVTESA-N 3 1 347.572 3.480 20 0 EGADMP c1c(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000873209571 1297352299 /nfs/dbraw/zinc/35/22/99/1297352299.db2.gz OYAGRNCHLNCZAD-GOSISDBHSA-N 2 1 342.508 3.227 20 0 EGADMP c1c(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000873209571 1297352314 /nfs/dbraw/zinc/35/23/14/1297352314.db2.gz OYAGRNCHLNCZAD-GOSISDBHSA-N 2 1 342.508 3.227 20 0 EGADMP c1c(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000873206976 1297352703 /nfs/dbraw/zinc/35/27/03/1297352703.db2.gz HFAOJBXZAFBUFM-QGZVFWFLSA-N 2 1 327.497 3.470 20 0 EGADMP Brc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000873261521 1297394598 /nfs/dbraw/zinc/39/45/98/1297394598.db2.gz DUYDLQDJXPLBFW-BZUAXINKSA-N 2 1 338.293 3.245 20 0 EGADMP C[C@H](CC[NH2+]C[C@H](O)c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1 ZINC000379616591 1297534716 /nfs/dbraw/zinc/53/47/16/1297534716.db2.gz CPKPLIQMBQKDSY-UZLBHIALSA-N 2 1 330.447 3.359 20 0 EGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000379878581 1297542706 /nfs/dbraw/zinc/54/27/06/1297542706.db2.gz TVRULGBXICOCAE-OXQOHEQNSA-N 2 1 326.488 3.291 20 0 EGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000379878581 1297542712 /nfs/dbraw/zinc/54/27/12/1297542712.db2.gz TVRULGBXICOCAE-OXQOHEQNSA-N 2 1 326.488 3.291 20 0 EGADMP CC(C)n1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000398040657 1297711013 /nfs/dbraw/zinc/71/10/13/1297711013.db2.gz RTUIQSMXAPFDJH-PXNSSMCTSA-N 2 1 326.488 3.464 20 0 EGADMP CC(C)n1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000398040657 1297711021 /nfs/dbraw/zinc/71/10/21/1297711021.db2.gz RTUIQSMXAPFDJH-PXNSSMCTSA-N 2 1 326.488 3.464 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000693860827 1298153267 /nfs/dbraw/zinc/15/32/67/1298153267.db2.gz GPSSXXNMHKZLRQ-JKSUJKDBSA-N 2 1 339.524 3.238 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000700803855 1298179677 /nfs/dbraw/zinc/17/96/77/1298179677.db2.gz NFXUEEWHJOJEOM-BRWVUGGUSA-N 2 1 339.524 3.001 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000700799542 1298180460 /nfs/dbraw/zinc/18/04/60/1298180460.db2.gz ITCAGAQIHUPHFD-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702621011 1298194673 /nfs/dbraw/zinc/19/46/73/1298194673.db2.gz BNIMTOBVQWVQQL-QFUCXCTJSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702621011 1298194680 /nfs/dbraw/zinc/19/46/80/1298194680.db2.gz BNIMTOBVQWVQQL-QFUCXCTJSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000702628431 1298195425 /nfs/dbraw/zinc/19/54/25/1298195425.db2.gz LKKDPFRYWZDDFV-HKBOAZHASA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000702628431 1298195431 /nfs/dbraw/zinc/19/54/31/1298195431.db2.gz LKKDPFRYWZDDFV-HKBOAZHASA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(O)c(F)c1 ZINC000708552620 1298244478 /nfs/dbraw/zinc/24/44/78/1298244478.db2.gz WIWTZKCGICRUDK-QAPCUYQASA-N 2 1 328.431 3.389 20 0 EGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(Br)n1 ZINC000925219447 1325084426 /nfs/dbraw/zinc/08/44/26/1325084426.db2.gz DHVFDHQZESUHIA-AVGNSLFASA-N 2 1 326.282 3.368 20 0 EGADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711105449 1298259414 /nfs/dbraw/zinc/25/94/14/1298259414.db2.gz HNNVRHDLMOFVKO-NIMBFUQJSA-N 2 1 343.515 3.014 20 0 EGADMP C[N@H+](CCSC(C)(C)C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711805889 1298261669 /nfs/dbraw/zinc/26/16/69/1298261669.db2.gz XNZXREMYZNUHGX-IBGZPJMESA-N 2 1 336.545 3.087 20 0 EGADMP C[N@@H+](CCSC(C)(C)C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711805889 1298261673 /nfs/dbraw/zinc/26/16/73/1298261673.db2.gz XNZXREMYZNUHGX-IBGZPJMESA-N 2 1 336.545 3.087 20 0 EGADMP C[NH+](CCSC(C)(C)C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711805889 1298261684 /nfs/dbraw/zinc/26/16/84/1298261684.db2.gz XNZXREMYZNUHGX-IBGZPJMESA-N 2 1 336.545 3.087 20 0 EGADMP C[NH+](CCSC(C)(C)C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000711805889 1298261696 /nfs/dbraw/zinc/26/16/96/1298261696.db2.gz XNZXREMYZNUHGX-IBGZPJMESA-N 2 1 336.545 3.087 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H](C3CC3)[C@H]3CCCOC3)CC2)cc1 ZINC000723947655 1298343321 /nfs/dbraw/zinc/34/33/21/1298343321.db2.gz MAHMGKOTSZNDBY-FPOVZHCZSA-N 2 1 328.500 3.446 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000746639044 1298631743 /nfs/dbraw/zinc/63/17/43/1298631743.db2.gz ZMKAIQZAFOWEBZ-QGZVFWFLSA-N 2 1 348.878 3.044 20 0 EGADMP CSC(C)(C)CC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000876651707 1298898182 /nfs/dbraw/zinc/89/81/82/1298898182.db2.gz BYFFNXMAEGARIM-CALCHBBNSA-N 2 1 327.582 3.009 20 0 EGADMP C[C@](O)(C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccco1 ZINC000877072803 1299144528 /nfs/dbraw/zinc/14/45/28/1299144528.db2.gz VXOAMKRRZPDLNT-QFUCXCTJSA-N 2 1 340.467 3.445 20 0 EGADMP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccco1 ZINC000877072803 1299144531 /nfs/dbraw/zinc/14/45/31/1299144531.db2.gz VXOAMKRRZPDLNT-QFUCXCTJSA-N 2 1 340.467 3.445 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C(=O)[C@H]3CCCCC[C@@H]32)CC1 ZINC000749955605 1299312702 /nfs/dbraw/zinc/31/27/02/1299312702.db2.gz SMTLQJSVPMLFEH-OALUTQOASA-N 2 1 335.536 3.179 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CCN(CCc2ccccc2Br)C1 ZINC000878166700 1299791153 /nfs/dbraw/zinc/79/11/53/1299791153.db2.gz CLDXMUQYSKMJPE-AWEZNQCLSA-N 2 1 325.294 3.265 20 0 EGADMP Cc1nonc1C[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000878815759 1300207777 /nfs/dbraw/zinc/20/77/77/1300207777.db2.gz OVUUNFBRPXOELM-UHFFFAOYSA-N 2 1 340.471 3.256 20 0 EGADMP CC(C)=C(C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000755206772 1300298737 /nfs/dbraw/zinc/29/87/37/1300298737.db2.gz MTBIMSGDQNMNMA-OALUTQOASA-N 2 1 335.536 3.138 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000762925169 1301785408 /nfs/dbraw/zinc/78/54/08/1301785408.db2.gz DBWVEDAGUCJDGM-SFHVURJKSA-N 2 1 326.488 3.409 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000762925169 1301785416 /nfs/dbraw/zinc/78/54/16/1301785416.db2.gz DBWVEDAGUCJDGM-SFHVURJKSA-N 2 1 326.488 3.409 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C(=O)CC23CCC3)CC1 ZINC000763217377 1301849669 /nfs/dbraw/zinc/84/96/69/1301849669.db2.gz SWLJSZBGGSIJOA-QGZVFWFLSA-N 2 1 333.520 3.075 20 0 EGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000765354320 1302251500 /nfs/dbraw/zinc/25/15/00/1302251500.db2.gz NFRAVNGSAUNWNP-OAHLLOKOSA-N 2 1 331.460 3.167 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)C1 ZINC000765472950 1302270357 /nfs/dbraw/zinc/27/03/57/1302270357.db2.gz UMLFGWMEVFOFOH-SFHVURJKSA-N 2 1 344.547 3.043 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCOc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000766000880 1302364419 /nfs/dbraw/zinc/36/44/19/1302364419.db2.gz YTNFRLRWEIYXJZ-HKUYNNGSSA-N 2 1 325.456 3.103 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCOc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000766000880 1302364433 /nfs/dbraw/zinc/36/44/33/1302364433.db2.gz YTNFRLRWEIYXJZ-HKUYNNGSSA-N 2 1 325.456 3.103 20 0 EGADMP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000767369466 1302653767 /nfs/dbraw/zinc/65/37/67/1302653767.db2.gz FIUFIBHVJGXFRH-IAGOWNOFSA-N 2 1 339.524 3.192 20 0 EGADMP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000767369466 1302653774 /nfs/dbraw/zinc/65/37/74/1302653774.db2.gz FIUFIBHVJGXFRH-IAGOWNOFSA-N 2 1 339.524 3.192 20 0 EGADMP CCC[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000767369466 1302653780 /nfs/dbraw/zinc/65/37/80/1302653780.db2.gz FIUFIBHVJGXFRH-IAGOWNOFSA-N 2 1 339.524 3.192 20 0 EGADMP C[NH2+][C@@H](CC(C)C)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000884329060 1302817076 /nfs/dbraw/zinc/81/70/76/1302817076.db2.gz FPOSNJGMCMDOFH-IHPCNDPISA-N 2 1 345.531 3.037 20 0 EGADMP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)CC(C)C ZINC000885921317 1303277031 /nfs/dbraw/zinc/27/70/31/1303277031.db2.gz YXQOLNXRBZMRRZ-ZWKOTPCHSA-N 2 1 326.525 3.061 20 0 EGADMP CCC[C@@H]1CC(=O)N(C[NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)C1 ZINC000770686126 1303306741 /nfs/dbraw/zinc/30/67/41/1303306741.db2.gz SINKOMAZMZGXBF-HXUWFJFHSA-N 2 1 349.563 3.427 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000886869689 1303621169 /nfs/dbraw/zinc/62/11/69/1303621169.db2.gz FOONPBQNQPTAER-GOSISDBHSA-N 2 1 335.879 3.134 20 0 EGADMP CCc1ccc2c(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000886874490 1303622125 /nfs/dbraw/zinc/62/21/25/1303622125.db2.gz PAIXOGXAXJBNSF-NRFANRHFSA-N 2 1 340.467 3.321 20 0 EGADMP CCc1ccc2c(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000886874490 1303622129 /nfs/dbraw/zinc/62/21/29/1303622129.db2.gz PAIXOGXAXJBNSF-NRFANRHFSA-N 2 1 340.467 3.321 20 0 EGADMP CC[N@H+](C)Cc1cccc(CNc2nc(N3CCCC3)cc[nH+]2)c1 ZINC000774515697 1303819041 /nfs/dbraw/zinc/81/90/41/1303819041.db2.gz CTDXFIPWPOJMHQ-UHFFFAOYSA-N 2 1 325.460 3.141 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNc2nc(N3CCCC3)cc[nH+]2)c1 ZINC000774515697 1303819048 /nfs/dbraw/zinc/81/90/48/1303819048.db2.gz CTDXFIPWPOJMHQ-UHFFFAOYSA-N 2 1 325.460 3.141 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cn1 ZINC000775376119 1303948233 /nfs/dbraw/zinc/94/82/33/1303948233.db2.gz ONSHPYQCKBCFRD-BFYDXBDKSA-N 2 1 346.525 3.045 20 0 EGADMP CCCCCCNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000775686709 1304015760 /nfs/dbraw/zinc/01/57/60/1304015760.db2.gz JBGNZPOPBLUKLA-UYAOXDASSA-N 2 1 345.531 3.183 20 0 EGADMP CCCCCCNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000775686709 1304015764 /nfs/dbraw/zinc/01/57/64/1304015764.db2.gz JBGNZPOPBLUKLA-UYAOXDASSA-N 2 1 345.531 3.183 20 0 EGADMP Cc1cc(C)[nH+]c(N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000777255906 1304276379 /nfs/dbraw/zinc/27/63/79/1304276379.db2.gz JPTYRYZFMWLCBC-MJGOQNOKSA-N 2 1 325.456 3.400 20 0 EGADMP Cc1cc(C)[nH+]c(N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000777255906 1304276384 /nfs/dbraw/zinc/27/63/84/1304276384.db2.gz JPTYRYZFMWLCBC-MJGOQNOKSA-N 2 1 325.456 3.400 20 0 EGADMP C[C@@H]1C[C@@H](Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC[N@H+]1C ZINC000777697662 1304336310 /nfs/dbraw/zinc/33/63/10/1304336310.db2.gz YNPFKBFULLVSOC-XLIONFOSSA-N 2 1 344.547 3.359 20 0 EGADMP C[C@@H]1C[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CC[N@@H+]1C ZINC000777697662 1304336316 /nfs/dbraw/zinc/33/63/16/1304336316.db2.gz YNPFKBFULLVSOC-XLIONFOSSA-N 3 1 344.547 3.359 20 0 EGADMP C[C@@H]1C[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CC[N@H+]1C ZINC000777697662 1304336319 /nfs/dbraw/zinc/33/63/19/1304336319.db2.gz YNPFKBFULLVSOC-XLIONFOSSA-N 3 1 344.547 3.359 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C[C@@](C)(C3CCCC3)CC2=O)CC1 ZINC000780442428 1304693538 /nfs/dbraw/zinc/69/35/38/1304693538.db2.gz JLRSYNOKMXQCAH-NRFANRHFSA-N 2 1 349.563 3.425 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc(F)cc2C)CC1 ZINC000892146906 1305267510 /nfs/dbraw/zinc/26/75/10/1305267510.db2.gz ZKLHLKVMRQEXCD-UHFFFAOYSA-N 2 1 337.483 3.100 20 0 EGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000892179992 1305275608 /nfs/dbraw/zinc/27/56/08/1305275608.db2.gz MYPLPXYWFWXCOU-SFHVURJKSA-N 2 1 326.488 3.151 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccccc1N1CCCCC1 ZINC000892951456 1305623736 /nfs/dbraw/zinc/62/37/36/1305623736.db2.gz OABHCINKPZBBGN-HXUWFJFHSA-N 2 1 345.531 3.003 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](O)c1c(F)cccc1Cl ZINC000893087947 1305700387 /nfs/dbraw/zinc/70/03/87/1305700387.db2.gz HODBORHHZSPZQA-JJLGPXMZSA-N 2 1 326.843 3.116 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](O)c1c(F)cccc1Cl ZINC000893087947 1305700398 /nfs/dbraw/zinc/70/03/98/1305700398.db2.gz HODBORHHZSPZQA-JJLGPXMZSA-N 2 1 326.843 3.116 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893103730 1305708998 /nfs/dbraw/zinc/70/89/98/1305708998.db2.gz SPXAUMONXPAATC-LVNQGSGBSA-N 2 1 341.543 3.358 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893103730 1305709007 /nfs/dbraw/zinc/70/90/07/1305709007.db2.gz SPXAUMONXPAATC-LVNQGSGBSA-N 3 1 341.543 3.358 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893103730 1305709013 /nfs/dbraw/zinc/70/90/13/1305709013.db2.gz SPXAUMONXPAATC-LVNQGSGBSA-N 3 1 341.543 3.358 20 0 EGADMP C[C@H]1C[C@H](CC[NH2+]CC2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000893226997 1305773184 /nfs/dbraw/zinc/77/31/84/1305773184.db2.gz VOMRONUMFCCSSW-RXVVDRJESA-N 3 1 329.532 3.219 20 0 EGADMP COc1cccc(-c2csc(CNCC3=CC[N@@H+](C)CC3)n2)c1 ZINC000893305820 1305817109 /nfs/dbraw/zinc/81/71/09/1305817109.db2.gz XCLOSTYYBGZMLH-UHFFFAOYSA-N 2 1 329.469 3.170 20 0 EGADMP COc1cccc(-c2csc(C[NH2+]CC3=CC[N@H+](C)CC3)n2)c1 ZINC000893305820 1305817132 /nfs/dbraw/zinc/81/71/32/1305817132.db2.gz XCLOSTYYBGZMLH-UHFFFAOYSA-N 2 1 329.469 3.170 20 0 EGADMP COc1cccc(-c2csc(C[NH2+]CC3=CC[N@@H+](C)CC3)n2)c1 ZINC000893305820 1305817146 /nfs/dbraw/zinc/81/71/46/1305817146.db2.gz XCLOSTYYBGZMLH-UHFFFAOYSA-N 2 1 329.469 3.170 20 0 EGADMP CCn1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000893412267 1305882040 /nfs/dbraw/zinc/88/20/40/1305882040.db2.gz LQZGQRUOSCWLNV-LPHOPBHVSA-N 2 1 326.488 3.212 20 0 EGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788575950 1305973341 /nfs/dbraw/zinc/97/33/41/1305973341.db2.gz DVEWELARHZCZPU-YYFQZIEXSA-N 2 1 340.920 3.346 20 0 EGADMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788575950 1305973346 /nfs/dbraw/zinc/97/33/46/1305973346.db2.gz DVEWELARHZCZPU-YYFQZIEXSA-N 2 1 340.920 3.346 20 0 EGADMP CCn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2ccccc2)n1 ZINC000894042593 1306188459 /nfs/dbraw/zinc/18/84/59/1306188459.db2.gz NQJPOMPSIPMHDJ-GOSISDBHSA-N 2 1 338.499 3.488 20 0 EGADMP CCn1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2ccccc2)n1 ZINC000894042593 1306188464 /nfs/dbraw/zinc/18/84/64/1306188464.db2.gz NQJPOMPSIPMHDJ-GOSISDBHSA-N 2 1 338.499 3.488 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000790080941 1306260319 /nfs/dbraw/zinc/26/03/19/1306260319.db2.gz QOPBJKKGIHGJDD-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP Cc1ncoc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000894445130 1308892308 /nfs/dbraw/zinc/89/23/08/1308892308.db2.gz NCAOJKZBIKTNSN-IPMKNSEASA-N 2 1 325.456 3.373 20 0 EGADMP Cc1ncoc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000894445130 1308892321 /nfs/dbraw/zinc/89/23/21/1308892321.db2.gz NCAOJKZBIKTNSN-IPMKNSEASA-N 2 1 325.456 3.373 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCO[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000894801679 1309080430 /nfs/dbraw/zinc/08/04/30/1309080430.db2.gz YDVGQAMPIIFEGD-MISYRCLQSA-N 2 1 332.488 3.172 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCO[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000894801679 1309080440 /nfs/dbraw/zinc/08/04/40/1309080440.db2.gz YDVGQAMPIIFEGD-MISYRCLQSA-N 2 1 332.488 3.172 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCO[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000894801681 1309080875 /nfs/dbraw/zinc/08/08/75/1309080875.db2.gz YDVGQAMPIIFEGD-YZGWKJHDSA-N 2 1 332.488 3.172 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCO[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000894801681 1309080892 /nfs/dbraw/zinc/08/08/92/1309080892.db2.gz YDVGQAMPIIFEGD-YZGWKJHDSA-N 2 1 332.488 3.172 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1)CC1CC1 ZINC000792267763 1309152375 /nfs/dbraw/zinc/15/23/75/1309152375.db2.gz JEFDOTISMDDKPA-LJQANCHMSA-N 2 1 348.531 3.306 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C/C=C\c3cccc(F)c3)CC2)CC1 ZINC000895034895 1309166313 /nfs/dbraw/zinc/16/63/13/1309166313.db2.gz YVNHDNOZTZSCMS-DAXSKMNVSA-N 2 1 345.506 3.331 20 0 EGADMP COCc1c(C)cc(C)c(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1C ZINC000895084091 1309185675 /nfs/dbraw/zinc/18/56/75/1309185675.db2.gz NULDHJJBZXKCJG-UHFFFAOYSA-N 2 1 346.515 3.055 20 0 EGADMP CC1=Nc2ccccc2C12CCN(Cc1cnc(N(C)C)n1C)CC2 ZINC000895129591 1309201693 /nfs/dbraw/zinc/20/16/93/1309201693.db2.gz XNQLJNAZRWOZPD-UHFFFAOYSA-N 2 1 337.471 3.126 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795098725 1309667451 /nfs/dbraw/zinc/66/74/51/1309667451.db2.gz GHQAIOGOLDFCIG-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795098725 1309667459 /nfs/dbraw/zinc/66/74/59/1309667459.db2.gz GHQAIOGOLDFCIG-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795898827 1309856547 /nfs/dbraw/zinc/85/65/47/1309856547.db2.gz JAXYGQXEDMXVER-HDICACEKSA-N 2 1 338.536 3.267 20 0 EGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000796653646 1310058190 /nfs/dbraw/zinc/05/81/90/1310058190.db2.gz PFCUWGKYHQYQPF-VQHPVUNQSA-N 2 1 339.524 3.094 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000796696856 1310065206 /nfs/dbraw/zinc/06/52/06/1310065206.db2.gz WCCGBJYRYJQYGG-AWEZNQCLSA-N 2 1 328.884 3.276 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000797115139 1310143069 /nfs/dbraw/zinc/14/30/69/1310143069.db2.gz MTZFYJDXGXVMBV-JYJNAYRXSA-N 2 1 327.513 3.142 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000797115139 1310143073 /nfs/dbraw/zinc/14/30/73/1310143073.db2.gz MTZFYJDXGXVMBV-JYJNAYRXSA-N 2 1 327.513 3.142 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cnc(Cl)cn1 ZINC000799148626 1310492711 /nfs/dbraw/zinc/49/27/11/1310492711.db2.gz DQIBNLWTFKDXSJ-UHFFFAOYSA-N 2 1 345.878 3.264 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000799173229 1310498647 /nfs/dbraw/zinc/49/86/47/1310498647.db2.gz CKSQTINIGFMFRX-QGZVFWFLSA-N 2 1 344.421 3.027 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824416765 1320256139 /nfs/dbraw/zinc/25/61/39/1320256139.db2.gz NQMKPTPRBSFGEE-BBWFWOEESA-N 2 1 341.540 3.340 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824416765 1320256143 /nfs/dbraw/zinc/25/61/43/1320256143.db2.gz NQMKPTPRBSFGEE-BBWFWOEESA-N 2 1 341.540 3.340 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001018938715 1316980859 /nfs/dbraw/zinc/98/08/59/1316980859.db2.gz ZJJXTHNNIAIABL-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1Cl ZINC001018971882 1316991376 /nfs/dbraw/zinc/99/13/76/1316991376.db2.gz YNRPLNGWIRYJQI-CABCVRRESA-N 2 1 349.906 3.076 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001019068736 1317032178 /nfs/dbraw/zinc/03/21/78/1317032178.db2.gz JXVLPRMJBJIFDC-SFHVURJKSA-N 2 1 347.547 3.330 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC001019241727 1317119301 /nfs/dbraw/zinc/11/93/01/1317119301.db2.gz YAZIUMXDJOPPFJ-WZOJCFFYSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC2(CC[N@H+]2CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000899910442 1317199905 /nfs/dbraw/zinc/19/99/05/1317199905.db2.gz KYAYLVKMDPZJEP-UHFFFAOYSA-N 2 1 328.500 3.245 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)C1 ZINC000900713344 1317326972 /nfs/dbraw/zinc/32/69/72/1317326972.db2.gz YZDFLICUVVVFHG-FUMNGEBKSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC000900713344 1317326975 /nfs/dbraw/zinc/32/69/75/1317326975.db2.gz YZDFLICUVVVFHG-FUMNGEBKSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC000900713344 1317326986 /nfs/dbraw/zinc/32/69/86/1317326986.db2.gz YZDFLICUVVVFHG-FUMNGEBKSA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)C1C[NH+](CC2CCC2)C1 ZINC000957445804 1317367777 /nfs/dbraw/zinc/36/77/77/1317367777.db2.gz WLFSWRNVRNPKCY-UHFFFAOYSA-N 2 1 347.503 3.068 20 0 EGADMP CCOCCOCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000929772781 1328695652 /nfs/dbraw/zinc/69/56/52/1328695652.db2.gz NYNOCLXNMJBXJE-NRFANRHFSA-N 2 1 346.515 3.028 20 0 EGADMP CCOCCOCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000929772781 1328695657 /nfs/dbraw/zinc/69/56/57/1328695657.db2.gz NYNOCLXNMJBXJE-NRFANRHFSA-N 2 1 346.515 3.028 20 0 EGADMP CCOCCOCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000929772781 1328695659 /nfs/dbraw/zinc/69/56/59/1328695659.db2.gz NYNOCLXNMJBXJE-NRFANRHFSA-N 2 1 346.515 3.028 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCc3nc(Cl)ccc32)C[C@H](C)O1 ZINC000806134291 1317463145 /nfs/dbraw/zinc/46/31/45/1317463145.db2.gz IOXHLQRXYYUOPF-LZWOXQAQSA-N 2 1 337.895 3.201 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957635720 1317510047 /nfs/dbraw/zinc/51/00/47/1317510047.db2.gz HWELCVLVQNGFAU-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001020151014 1317565362 /nfs/dbraw/zinc/56/53/62/1317565362.db2.gz HSKFJPXMEQBNMV-MUGJNUQGSA-N 2 1 347.547 3.068 20 0 EGADMP COc1ccc(-c2cc(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)on2)cc1 ZINC000902400875 1317573512 /nfs/dbraw/zinc/57/35/12/1317573512.db2.gz WTIOMBNFJGGWNJ-HNNXBMFYSA-N 2 1 329.444 3.218 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cn(C)nn1 ZINC000902747841 1317612201 /nfs/dbraw/zinc/61/22/01/1317612201.db2.gz XZRGSXCRVMTSHD-HOTGVXAUSA-N 2 1 327.476 3.040 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cn(C)nn1 ZINC000902747841 1317612205 /nfs/dbraw/zinc/61/22/05/1317612205.db2.gz XZRGSXCRVMTSHD-HOTGVXAUSA-N 2 1 327.476 3.040 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cn(C)nn1 ZINC000902747842 1317612439 /nfs/dbraw/zinc/61/24/39/1317612439.db2.gz XZRGSXCRVMTSHD-HZPDHXFCSA-N 2 1 327.476 3.040 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cn(C)nn1 ZINC000902747842 1317612444 /nfs/dbraw/zinc/61/24/44/1317612444.db2.gz XZRGSXCRVMTSHD-HZPDHXFCSA-N 2 1 327.476 3.040 20 0 EGADMP CC[C@@]1(C)CC(=O)N(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000808140549 1317630381 /nfs/dbraw/zinc/63/03/81/1317630381.db2.gz LZFMZUUSRQANER-FQEVSTJZSA-N 2 1 335.536 3.181 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)c1ccccc1Cl ZINC001020297763 1317634114 /nfs/dbraw/zinc/63/41/14/1317634114.db2.gz YKHRHIYYNQAUFJ-ATNYBXOESA-N 2 1 349.906 3.122 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC000957779646 1317643156 /nfs/dbraw/zinc/64/31/56/1317643156.db2.gz SCJOJPIGBGIKOQ-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)c1 ZINC000903090585 1317649995 /nfs/dbraw/zinc/64/99/95/1317649995.db2.gz DHZGEPYPQAPUNJ-VCSGRIEYSA-N 3 1 327.516 3.386 20 0 EGADMP CC[NH+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903090585 1317650003 /nfs/dbraw/zinc/65/00/03/1317650003.db2.gz DHZGEPYPQAPUNJ-VCSGRIEYSA-N 3 1 327.516 3.386 20 0 EGADMP CC[NH+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903090585 1317650009 /nfs/dbraw/zinc/65/00/09/1317650009.db2.gz DHZGEPYPQAPUNJ-VCSGRIEYSA-N 3 1 327.516 3.386 20 0 EGADMP CC[N@H+](C)Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)c1 ZINC000903090585 1317650016 /nfs/dbraw/zinc/65/00/16/1317650016.db2.gz DHZGEPYPQAPUNJ-VCSGRIEYSA-N 2 1 327.516 3.386 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)c1 ZINC000903090585 1317650023 /nfs/dbraw/zinc/65/00/23/1317650023.db2.gz DHZGEPYPQAPUNJ-VCSGRIEYSA-N 2 1 327.516 3.386 20 0 EGADMP CC[NH+](C)Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903090585 1317650030 /nfs/dbraw/zinc/65/00/30/1317650030.db2.gz DHZGEPYPQAPUNJ-VCSGRIEYSA-N 2 1 327.516 3.386 20 0 EGADMP CC[NH+](C)Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903090585 1317650034 /nfs/dbraw/zinc/65/00/34/1317650034.db2.gz DHZGEPYPQAPUNJ-VCSGRIEYSA-N 2 1 327.516 3.386 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001020339524 1317652201 /nfs/dbraw/zinc/65/22/01/1317652201.db2.gz SKBRZSISVGHQNK-FRYIKTPZSA-N 2 1 343.515 3.105 20 0 EGADMP COc1ccc(O[C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903104572 1317653250 /nfs/dbraw/zinc/65/32/50/1317653250.db2.gz WCERHEAPZMGGJK-UNPWZGGWSA-N 2 1 330.472 3.210 20 0 EGADMP Cc1ccccc1C1CC([NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)C1 ZINC000903115163 1317656264 /nfs/dbraw/zinc/65/62/64/1317656264.db2.gz MAYQCQGMYQBFGL-OSOWUDKRSA-N 2 1 342.527 3.310 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)C2 ZINC000903114849 1317656376 /nfs/dbraw/zinc/65/63/76/1317656376.db2.gz IAUZEDSYKBCKMT-ZODGMFRMSA-N 2 1 338.442 3.095 20 0 EGADMP COc1ccccc1OC[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903130328 1317660584 /nfs/dbraw/zinc/66/05/84/1317660584.db2.gz LVZDOFXXVGNXGK-VBZNHOPUSA-N 2 1 344.499 3.458 20 0 EGADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000903147269 1317662492 /nfs/dbraw/zinc/66/24/92/1317662492.db2.gz GMKHLQCNOYZRLW-VLNCIODFSA-N 2 1 331.548 3.387 20 0 EGADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000903147269 1317662496 /nfs/dbraw/zinc/66/24/96/1317662496.db2.gz GMKHLQCNOYZRLW-VLNCIODFSA-N 2 1 331.548 3.387 20 0 EGADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000903147269 1317662501 /nfs/dbraw/zinc/66/25/01/1317662501.db2.gz GMKHLQCNOYZRLW-VLNCIODFSA-N 2 1 331.548 3.387 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000903147269 1317662507 /nfs/dbraw/zinc/66/25/07/1317662507.db2.gz GMKHLQCNOYZRLW-VLNCIODFSA-N 3 1 331.548 3.387 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000903147269 1317662511 /nfs/dbraw/zinc/66/25/11/1317662511.db2.gz GMKHLQCNOYZRLW-VLNCIODFSA-N 3 1 331.548 3.387 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000903147269 1317662514 /nfs/dbraw/zinc/66/25/14/1317662514.db2.gz GMKHLQCNOYZRLW-VLNCIODFSA-N 3 1 331.548 3.387 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000903147269 1317662519 /nfs/dbraw/zinc/66/25/19/1317662519.db2.gz GMKHLQCNOYZRLW-VLNCIODFSA-N 3 1 331.548 3.387 20 0 EGADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000903147271 1317662807 /nfs/dbraw/zinc/66/28/07/1317662807.db2.gz GMKHLQCNOYZRLW-WLALMCHYSA-N 2 1 331.548 3.387 20 0 EGADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000903147271 1317662814 /nfs/dbraw/zinc/66/28/14/1317662814.db2.gz GMKHLQCNOYZRLW-WLALMCHYSA-N 2 1 331.548 3.387 20 0 EGADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000903147271 1317662817 /nfs/dbraw/zinc/66/28/17/1317662817.db2.gz GMKHLQCNOYZRLW-WLALMCHYSA-N 2 1 331.548 3.387 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000903147271 1317662820 /nfs/dbraw/zinc/66/28/20/1317662820.db2.gz GMKHLQCNOYZRLW-WLALMCHYSA-N 3 1 331.548 3.387 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000903147271 1317662825 /nfs/dbraw/zinc/66/28/25/1317662825.db2.gz GMKHLQCNOYZRLW-WLALMCHYSA-N 3 1 331.548 3.387 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000903147271 1317662830 /nfs/dbraw/zinc/66/28/30/1317662830.db2.gz GMKHLQCNOYZRLW-WLALMCHYSA-N 3 1 331.548 3.387 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000903147271 1317662833 /nfs/dbraw/zinc/66/28/33/1317662833.db2.gz GMKHLQCNOYZRLW-WLALMCHYSA-N 3 1 331.548 3.387 20 0 EGADMP C[C@@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1Cl ZINC000903151708 1317663568 /nfs/dbraw/zinc/66/35/68/1317663568.db2.gz ISZXCDROSKWXDI-QGGWKKEGSA-N 2 1 334.891 3.295 20 0 EGADMP OC[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@@H]1c1ccc(F)cc1 ZINC000903159709 1317665670 /nfs/dbraw/zinc/66/56/70/1317665670.db2.gz HNEJZLZHDOSDKJ-KEAPPQJHSA-N 2 1 344.474 3.039 20 0 EGADMP C[C@H](NCc1cc(N(C)C)cc[nH+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000903198274 1317672228 /nfs/dbraw/zinc/67/22/28/1317672228.db2.gz IEVKZJWZYHNFIN-PKOBYXMFSA-N 2 1 338.499 3.148 20 0 EGADMP O[C@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000903440640 1317700088 /nfs/dbraw/zinc/70/00/88/1317700088.db2.gz RTRZOXDOWSLEOI-QWCYLASJSA-N 2 1 348.490 3.430 20 0 EGADMP c1ccc(C[C@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903728998 1317725730 /nfs/dbraw/zinc/72/57/30/1317725730.db2.gz JBABEAHVMYFHPQ-UXHICEINSA-N 2 1 328.500 3.100 20 0 EGADMP C[C@H](c1nc2ccccc2s1)[N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733897 1317727040 /nfs/dbraw/zinc/72/70/40/1317727040.db2.gz SDOYEEHOWBKYSM-HUUCEWRRSA-N 2 1 345.512 3.448 20 0 EGADMP C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733897 1317727047 /nfs/dbraw/zinc/72/70/47/1317727047.db2.gz SDOYEEHOWBKYSM-HUUCEWRRSA-N 2 1 345.512 3.448 20 0 EGADMP c1ccc(SC[C@H]2CC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903733948 1317727290 /nfs/dbraw/zinc/72/72/90/1317727290.db2.gz NCAYHGFWDHJGDX-ZWKOTPCHSA-N 2 1 346.540 3.259 20 0 EGADMP CCc1csc([C@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903738174 1317728029 /nfs/dbraw/zinc/72/80/29/1317728029.db2.gz YWVIEJKALOBHBP-RDJZCZTQSA-N 2 1 349.544 3.044 20 0 EGADMP Cc1nc([C@@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)sc1C ZINC000903735493 1317728494 /nfs/dbraw/zinc/72/84/94/1317728494.db2.gz AQNIIFJUAHTGOV-SJORKVTESA-N 2 1 349.544 3.098 20 0 EGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1F ZINC000903767068 1317731424 /nfs/dbraw/zinc/73/14/24/1317731424.db2.gz SWGJTGBHRGJKCC-WMZOPIPTSA-N 2 1 348.462 3.130 20 0 EGADMP C(=C\[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2)\c1ccccc1 ZINC000903788456 1317733838 /nfs/dbraw/zinc/73/38/38/1317733838.db2.gz LJFQPZBPEBVYAB-IQHLRMOPSA-N 2 1 326.484 3.323 20 0 EGADMP CC(C)(C)c1nc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)co1 ZINC000903792722 1317735239 /nfs/dbraw/zinc/73/52/39/1317735239.db2.gz HLBPWMLVTRXKQQ-UHFFFAOYSA-N 2 1 327.472 3.465 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)c1ccccc1 ZINC001020511810 1317735420 /nfs/dbraw/zinc/73/54/20/1317735420.db2.gz FIFWKHAEXMVENK-JBDAPHQKSA-N 2 1 343.515 3.105 20 0 EGADMP c1cc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c2c(c1)C[NH2+]CC2 ZINC000903826262 1317737848 /nfs/dbraw/zinc/73/78/48/1317737848.db2.gz GWHXUIWKBKYIMN-UXHICEINSA-N 2 1 326.484 3.113 20 0 EGADMP COc1ccccc1N1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903830237 1317739270 /nfs/dbraw/zinc/73/92/70/1317739270.db2.gz WXHYSSOOELIEFF-YQQQUEKLSA-N 2 1 343.515 3.128 20 0 EGADMP Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903892881 1317743345 /nfs/dbraw/zinc/74/33/45/1317743345.db2.gz ODWROGKZFIRIJP-QUCCMNQESA-N 2 1 339.487 3.238 20 0 EGADMP Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903892881 1317743349 /nfs/dbraw/zinc/74/33/49/1317743349.db2.gz ODWROGKZFIRIJP-QUCCMNQESA-N 2 1 339.487 3.238 20 0 EGADMP [NH3+][C@H](C[NH2+]C1(c2cccc(Br)c2)CCC1)CC(F)F ZINC000903898127 1317745199 /nfs/dbraw/zinc/74/51/99/1317745199.db2.gz JJIYMAXWMFUOPH-LBPRGKRZSA-N 2 1 333.220 3.400 20 0 EGADMP O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903908600 1317746404 /nfs/dbraw/zinc/74/64/04/1317746404.db2.gz LWCZHOIQJGWNAQ-YBIHNIGNSA-N 2 1 330.447 3.251 20 0 EGADMP CCCCn1nc(C)c(CNC[C@@H]2CCCC[N@@H+](C)C2)c1Cl ZINC000858245939 1328721168 /nfs/dbraw/zinc/72/11/68/1328721168.db2.gz ZADPGACAONNSTL-HNNXBMFYSA-N 2 1 326.916 3.467 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)c1ccc(Cl)cc1 ZINC001020586038 1317790567 /nfs/dbraw/zinc/79/05/67/1317790567.db2.gz COTSYQCZGCOOQI-LTCOOKNTSA-N 2 1 349.906 3.122 20 0 EGADMP C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001020591484 1317792029 /nfs/dbraw/zinc/79/20/29/1317792029.db2.gz OVGUIRJORUBQCE-RDGPPVDQSA-N 2 1 349.563 3.172 20 0 EGADMP COc1cccc(C[N@H+](C[C@@H]2CCCO2)C[C@]2(C)CCC[NH2+]C2)c1 ZINC000904313657 1317829040 /nfs/dbraw/zinc/82/90/40/1317829040.db2.gz JFYBHTJDHBFKPM-VQTJNVASSA-N 2 1 332.488 3.066 20 0 EGADMP COc1cccc(C[N@@H+](C[C@@H]2CCCO2)C[C@]2(C)CCC[NH2+]C2)c1 ZINC000904313657 1317829050 /nfs/dbraw/zinc/82/90/50/1317829050.db2.gz JFYBHTJDHBFKPM-VQTJNVASSA-N 2 1 332.488 3.066 20 0 EGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904342695 1317834139 /nfs/dbraw/zinc/83/41/39/1317834139.db2.gz NQSDKSBAAJJBMA-XLIONFOSSA-N 2 1 326.488 3.199 20 0 EGADMP COc1cccc(Oc2ncccc2C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000904363145 1317836412 /nfs/dbraw/zinc/83/64/12/1317836412.db2.gz CJJAIBXDMOLLAY-HXUWFJFHSA-N 2 1 341.455 3.362 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000809611460 1317844621 /nfs/dbraw/zinc/84/46/21/1317844621.db2.gz CXIHEZCSTWQCHG-MRXNPFEDSA-N 2 1 341.540 3.344 20 0 EGADMP C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000904472400 1317851397 /nfs/dbraw/zinc/85/13/97/1317851397.db2.gz FWGAEEUMARZPKU-UHFFFAOYSA-N 2 1 338.480 3.416 20 0 EGADMP C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000904472400 1317851405 /nfs/dbraw/zinc/85/14/05/1317851405.db2.gz FWGAEEUMARZPKU-UHFFFAOYSA-N 2 1 338.480 3.416 20 0 EGADMP CC[C@H](C)C[C@@H]([NH3+])c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000904601022 1317867493 /nfs/dbraw/zinc/86/74/93/1317867493.db2.gz ABSUDIZDTDPXAR-XJKSGUPXSA-N 2 1 332.448 3.113 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(-n2ccnc2)nc1 ZINC000809738893 1317885040 /nfs/dbraw/zinc/88/50/40/1317885040.db2.gz NZPFGMFAWXLWMT-UHFFFAOYSA-N 2 1 349.482 3.351 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCCC1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000809749872 1317890768 /nfs/dbraw/zinc/89/07/68/1317890768.db2.gz LJOTZRPTCBVIRT-UHFFFAOYSA-N 2 1 327.513 3.098 20 0 EGADMP CSCC[C@@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000905305326 1317946333 /nfs/dbraw/zinc/94/63/33/1317946333.db2.gz UOTZREMNFVEFQZ-MRXNPFEDSA-N 2 1 346.500 3.475 20 0 EGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(Br)nc1 ZINC000810210860 1317976170 /nfs/dbraw/zinc/97/61/70/1317976170.db2.gz GBRSPVAJYQCUSA-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001021211284 1318142176 /nfs/dbraw/zinc/14/21/76/1318142176.db2.gz UNDZZRIUOWNNEO-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCC2CCCC2)CC[N@H+]1C ZINC001021263428 1318162535 /nfs/dbraw/zinc/16/25/35/1318162535.db2.gz VQDCKEKYTNRBPY-MNIJEXPFSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2CCCC2)CC[NH+]1C ZINC001021263428 1318162541 /nfs/dbraw/zinc/16/25/41/1318162541.db2.gz VQDCKEKYTNRBPY-MNIJEXPFSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CCCC2)CC[NH+]1C ZINC001021263428 1318162544 /nfs/dbraw/zinc/16/25/44/1318162544.db2.gz VQDCKEKYTNRBPY-MNIJEXPFSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1)[NH+]1CCCC1 ZINC001021343673 1318198862 /nfs/dbraw/zinc/19/88/62/1318198862.db2.gz QJPWCQLBOXPZLQ-YQQQUEKLSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC000959928379 1318269089 /nfs/dbraw/zinc/26/90/89/1318269089.db2.gz YUABMCGFUHLNCY-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC000960007764 1318309716 /nfs/dbraw/zinc/30/97/16/1318309716.db2.gz HIBYJJXDNBBMIR-AEFFLSMTSA-N 2 1 346.519 3.167 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1)C1CCC1 ZINC000960022960 1318316740 /nfs/dbraw/zinc/31/67/40/1318316740.db2.gz QEMADVXOWDRPPU-IBGZPJMESA-N 2 1 347.547 3.022 20 0 EGADMP Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@H]2C)cs1 ZINC000960130980 1318372627 /nfs/dbraw/zinc/37/26/27/1318372627.db2.gz KURMXEFCUJRBGW-QAPCUYQASA-N 2 1 349.544 3.012 20 0 EGADMP C[N@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000812826910 1318464754 /nfs/dbraw/zinc/46/47/54/1318464754.db2.gz TYALZZHVMGDBQS-XJKSGUPXSA-N 2 1 330.394 3.012 20 0 EGADMP C[N@@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000812826910 1318464762 /nfs/dbraw/zinc/46/47/62/1318464762.db2.gz TYALZZHVMGDBQS-XJKSGUPXSA-N 2 1 330.394 3.012 20 0 EGADMP C[NH+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000812826910 1318464767 /nfs/dbraw/zinc/46/47/67/1318464767.db2.gz TYALZZHVMGDBQS-XJKSGUPXSA-N 2 1 330.394 3.012 20 0 EGADMP C[NH+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000812826910 1318464772 /nfs/dbraw/zinc/46/47/72/1318464772.db2.gz TYALZZHVMGDBQS-XJKSGUPXSA-N 2 1 330.394 3.012 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021637262 1318493973 /nfs/dbraw/zinc/49/39/73/1318493973.db2.gz ZUNMUYMAIYMASB-APWZRJJASA-N 2 1 340.471 3.061 20 0 EGADMP CCC[C@@H]1CN(c2cc[nH+]c(CO)c2)CC[N@H+]1Cc1ccccc1 ZINC000858469521 1328770210 /nfs/dbraw/zinc/77/02/10/1328770210.db2.gz VRRBLCPMEKWEDL-HXUWFJFHSA-N 2 1 325.456 3.065 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000813325783 1318533262 /nfs/dbraw/zinc/53/32/62/1318533262.db2.gz KQPNVFGLZMLDIZ-PXNSSMCTSA-N 2 1 326.488 3.224 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000858491131 1328778390 /nfs/dbraw/zinc/77/83/90/1328778390.db2.gz YSPYKVCYNWJNMZ-XHSDSOJGSA-N 2 1 346.462 3.065 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001021906215 1318727245 /nfs/dbraw/zinc/72/72/45/1318727245.db2.gz JIPDDNVXYCAXOF-XDNAFOTISA-N 2 1 349.906 3.122 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1=CCCCC1 ZINC000960630016 1318755992 /nfs/dbraw/zinc/75/59/92/1318755992.db2.gz VCPKRZVJTDUSMK-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1=CCCCC1 ZINC000960630016 1318755999 /nfs/dbraw/zinc/75/59/99/1318755999.db2.gz VCPKRZVJTDUSMK-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000960630016 1318756002 /nfs/dbraw/zinc/75/60/02/1318756002.db2.gz VCPKRZVJTDUSMK-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000960631026 1318756365 /nfs/dbraw/zinc/75/63/65/1318756365.db2.gz ZLDICYNDAMAKFD-RTBURBONSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC000960631026 1318756371 /nfs/dbraw/zinc/75/63/71/1318756371.db2.gz ZLDICYNDAMAKFD-RTBURBONSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC000960631026 1318756377 /nfs/dbraw/zinc/75/63/77/1318756377.db2.gz ZLDICYNDAMAKFD-RTBURBONSA-N 2 1 349.563 3.218 20 0 EGADMP C[N@H+](Cc1ccsc1)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC000960679790 1318789059 /nfs/dbraw/zinc/78/90/59/1318789059.db2.gz FZBORUMNNDIWQF-ZWKOTPCHSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC000960679790 1318789063 /nfs/dbraw/zinc/78/90/63/1318789063.db2.gz FZBORUMNNDIWQF-ZWKOTPCHSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC000960679790 1318789067 /nfs/dbraw/zinc/78/90/67/1318789067.db2.gz FZBORUMNNDIWQF-ZWKOTPCHSA-N 2 1 349.544 3.045 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001022164793 1318825509 /nfs/dbraw/zinc/82/55/09/1318825509.db2.gz PVACDQSJCZYXPP-WCIQWLHISA-N 2 1 343.515 3.249 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000815055427 1318874589 /nfs/dbraw/zinc/87/45/89/1318874589.db2.gz ABKHACURIYYBCH-SJLPKXTDSA-N 2 1 328.456 3.130 20 0 EGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000815055427 1318874595 /nfs/dbraw/zinc/87/45/95/1318874595.db2.gz ABKHACURIYYBCH-SJLPKXTDSA-N 2 1 328.456 3.130 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000815055427 1318874603 /nfs/dbraw/zinc/87/46/03/1318874603.db2.gz ABKHACURIYYBCH-SJLPKXTDSA-N 2 1 328.456 3.130 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000815055427 1318874612 /nfs/dbraw/zinc/87/46/12/1318874612.db2.gz ABKHACURIYYBCH-SJLPKXTDSA-N 2 1 328.456 3.130 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000815055427 1318874622 /nfs/dbraw/zinc/87/46/22/1318874622.db2.gz ABKHACURIYYBCH-SJLPKXTDSA-N 2 1 328.456 3.130 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001022293712 1318881367 /nfs/dbraw/zinc/88/13/67/1318881367.db2.gz WHEPBKGVUORXKD-CEXWTWQISA-N 2 1 335.536 3.068 20 0 EGADMP CC1CC(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001022588377 1319006121 /nfs/dbraw/zinc/00/61/21/1319006121.db2.gz GQKJJGGTBSNNDX-NXSFLFKLSA-N 2 1 347.547 3.066 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001022838398 1319132266 /nfs/dbraw/zinc/13/22/66/1319132266.db2.gz MUAOQQUTKOJGDC-YRPNKDGESA-N 2 1 347.547 3.211 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000961031133 1319153680 /nfs/dbraw/zinc/15/36/80/1319153680.db2.gz IYMNMGMNYIJLPY-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC000961031133 1319153683 /nfs/dbraw/zinc/15/36/83/1319153683.db2.gz IYMNMGMNYIJLPY-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC000961031133 1319153688 /nfs/dbraw/zinc/15/36/88/1319153688.db2.gz IYMNMGMNYIJLPY-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001023084496 1319256601 /nfs/dbraw/zinc/25/66/01/1319256601.db2.gz QQBPTJGRGVVWAS-JOCLIGHLSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961157795 1319279542 /nfs/dbraw/zinc/27/95/42/1319279542.db2.gz OEZJLTLSGRZUHZ-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961231093 1319361734 /nfs/dbraw/zinc/36/17/34/1319361734.db2.gz PLRNOEAFNZWLHD-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253639 1319399604 /nfs/dbraw/zinc/39/96/04/1319399604.db2.gz RFLGWBONFPCNMG-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP c1cc2c(s1)CCO[C@H]2C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000817900762 1319455047 /nfs/dbraw/zinc/45/50/47/1319455047.db2.gz RRWCXPUPSZAEHO-NJAFHUGGSA-N 2 1 328.481 3.445 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023364350 1319475854 /nfs/dbraw/zinc/47/58/54/1319475854.db2.gz JKGXHOCKFSFBSV-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001023364350 1319475861 /nfs/dbraw/zinc/47/58/61/1319475861.db2.gz JKGXHOCKFSFBSV-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001023364350 1319475865 /nfs/dbraw/zinc/47/58/65/1319475865.db2.gz JKGXHOCKFSFBSV-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023364621 1319476603 /nfs/dbraw/zinc/47/66/03/1319476603.db2.gz NBGHBSUIAXODLV-MJGOQNOKSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001023364621 1319476606 /nfs/dbraw/zinc/47/66/06/1319476606.db2.gz NBGHBSUIAXODLV-MJGOQNOKSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001023364621 1319476615 /nfs/dbraw/zinc/47/66/15/1319476615.db2.gz NBGHBSUIAXODLV-MJGOQNOKSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023364883 1319476884 /nfs/dbraw/zinc/47/68/84/1319476884.db2.gz RXUXKYYRHTZEQJ-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001023364883 1319476891 /nfs/dbraw/zinc/47/68/91/1319476891.db2.gz RXUXKYYRHTZEQJ-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001023364883 1319476895 /nfs/dbraw/zinc/47/68/95/1319476895.db2.gz RXUXKYYRHTZEQJ-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817959833 1319478003 /nfs/dbraw/zinc/47/80/03/1319478003.db2.gz VWJUFXYOLARAED-ARFHVFGLSA-N 2 1 327.513 3.128 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023402839 1319508995 /nfs/dbraw/zinc/50/89/95/1319508995.db2.gz UPQVXLZYMUPYKZ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001023402839 1319508999 /nfs/dbraw/zinc/50/89/99/1319508999.db2.gz UPQVXLZYMUPYKZ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001023402839 1319509009 /nfs/dbraw/zinc/50/90/09/1319509009.db2.gz UPQVXLZYMUPYKZ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000818233258 1319524223 /nfs/dbraw/zinc/52/42/23/1319524223.db2.gz FKCXNJVAPOENSZ-YYIAUSFCSA-N 2 1 337.508 3.039 20 0 EGADMP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC000961375765 1319531179 /nfs/dbraw/zinc/53/11/79/1319531179.db2.gz XGBIYWPMYAHJRP-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001023446480 1319545367 /nfs/dbraw/zinc/54/53/67/1319545367.db2.gz QJLVKZXHUKBISO-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001023446480 1319545375 /nfs/dbraw/zinc/54/53/75/1319545375.db2.gz QJLVKZXHUKBISO-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001023446480 1319545383 /nfs/dbraw/zinc/54/53/83/1319545383.db2.gz QJLVKZXHUKBISO-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001023446568 1319545594 /nfs/dbraw/zinc/54/55/94/1319545594.db2.gz RXPOOUATZUBHKU-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001023446568 1319545602 /nfs/dbraw/zinc/54/56/02/1319545602.db2.gz RXPOOUATZUBHKU-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001023446568 1319545609 /nfs/dbraw/zinc/54/56/09/1319545609.db2.gz RXPOOUATZUBHKU-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+](CC=C(C)C)C2)CC1)[NH+](C)C ZINC000961410766 1319566512 /nfs/dbraw/zinc/56/65/12/1319566512.db2.gz IMZGIEBPCRYSSV-PMACEKPBSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000818962714 1319593819 /nfs/dbraw/zinc/59/38/19/1319593819.db2.gz WIZIGPHLWLMAMA-FQEVSTJZSA-N 2 1 330.447 3.489 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000818984888 1319604646 /nfs/dbraw/zinc/60/46/46/1319604646.db2.gz MJYJSSGKFURXDO-RHSMWYFYSA-N 2 1 344.421 3.449 20 0 EGADMP CCCC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023508183 1319617990 /nfs/dbraw/zinc/61/79/90/1319617990.db2.gz KNEUFYQZOGKGAV-GOSISDBHSA-N 2 1 345.531 3.033 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000819366005 1319710223 /nfs/dbraw/zinc/71/02/23/1319710223.db2.gz GMQCIODVXKDUAR-MLGOLLRUSA-N 2 1 331.287 3.348 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC000961829051 1319743238 /nfs/dbraw/zinc/74/32/38/1319743238.db2.gz NBLFTOHEVMABOY-SOAGJPPSSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632256 1319752415 /nfs/dbraw/zinc/75/24/15/1319752415.db2.gz IDTKPZURVXEGAS-RBUKOAKNSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632256 1319752424 /nfs/dbraw/zinc/75/24/24/1319752424.db2.gz IDTKPZURVXEGAS-RBUKOAKNSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632256 1319752429 /nfs/dbraw/zinc/75/24/29/1319752429.db2.gz IDTKPZURVXEGAS-RBUKOAKNSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC(C[NH2+]CC3CC(C)(C)C3)C2)C1 ZINC000962215866 1319861725 /nfs/dbraw/zinc/86/17/25/1319861725.db2.gz DZSMZQSBALFLOY-AVAKVYKDSA-N 2 1 349.563 3.029 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000917998396 1319901978 /nfs/dbraw/zinc/90/19/78/1319901978.db2.gz KJOPXILWCBMBSZ-HNNXBMFYSA-N 2 1 340.496 3.494 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023762179 1319907224 /nfs/dbraw/zinc/90/72/24/1319907224.db2.gz SNEKGPDZPQJQRY-IBGZPJMESA-N 2 1 343.515 3.156 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023762551 1319908768 /nfs/dbraw/zinc/90/87/68/1319908768.db2.gz ZSHYNJRQSBTEDM-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001023762551 1319908775 /nfs/dbraw/zinc/90/87/75/1319908775.db2.gz ZSHYNJRQSBTEDM-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001023762551 1319908780 /nfs/dbraw/zinc/90/87/80/1319908780.db2.gz ZSHYNJRQSBTEDM-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CC(C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC000962304633 1319909298 /nfs/dbraw/zinc/90/92/98/1319909298.db2.gz AECCPDPBUOBWJC-IPJUCJBFSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC000962385561 1319945194 /nfs/dbraw/zinc/94/51/94/1319945194.db2.gz QNAMUHJUFMIOQS-KVZIAJEVSA-N 2 1 349.563 3.170 20 0 EGADMP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000839179895 1320886538 /nfs/dbraw/zinc/88/65/38/1320886538.db2.gz ANNMXWJMMPFGOG-OAHLLOKOSA-N 2 1 347.894 3.051 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000841032123 1321204349 /nfs/dbraw/zinc/20/43/49/1321204349.db2.gz MEFNNQVNZKOSAY-GCJKJVERSA-N 3 1 337.511 3.331 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000841032123 1321204354 /nfs/dbraw/zinc/20/43/54/1321204354.db2.gz MEFNNQVNZKOSAY-GCJKJVERSA-N 3 1 337.511 3.331 20 0 EGADMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@@H]3COC(C)(C)C3)cc2)CC1 ZINC000841857135 1321324083 /nfs/dbraw/zinc/32/40/83/1321324083.db2.gz QVRMBZQMZSFHFB-SFHVURJKSA-N 2 1 331.504 3.444 20 0 EGADMP CCC[N@@H+](Cc1cc(=O)oc2cc(C)c(C)cc12)C1CC[NH2+]CC1 ZINC000843360696 1321505989 /nfs/dbraw/zinc/50/59/89/1321505989.db2.gz JMVDTJXHFNDFQQ-UHFFFAOYSA-N 2 1 328.456 3.374 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)c2cc1C(C)C ZINC000843364894 1321506623 /nfs/dbraw/zinc/50/66/23/1321506623.db2.gz UHKJVHNQLIADDE-CABCVRRESA-N 2 1 328.456 3.394 20 0 EGADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1SC(F)(F)F ZINC000843362892 1321507082 /nfs/dbraw/zinc/50/70/82/1321507082.db2.gz UIBOTWRBGIHHAK-JQWIXIFHSA-N 2 1 334.407 3.476 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1SC(F)(F)F ZINC000843362892 1321507084 /nfs/dbraw/zinc/50/70/84/1321507084.db2.gz UIBOTWRBGIHHAK-JQWIXIFHSA-N 2 1 334.407 3.476 20 0 EGADMP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843378291 1321508393 /nfs/dbraw/zinc/50/83/93/1321508393.db2.gz ZGQUBHCDMXQBFR-JKSUJKDBSA-N 2 1 325.456 3.228 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])ccc1OC(=O)CC ZINC000844902350 1321656519 /nfs/dbraw/zinc/65/65/19/1321656519.db2.gz PXSVMALLSCZWDA-NVXWUHKLSA-N 2 1 348.487 3.350 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000846220551 1321777264 /nfs/dbraw/zinc/77/72/64/1321777264.db2.gz KPFVHJJMTIIYNY-MRXNPFEDSA-N 2 1 328.403 3.180 20 0 EGADMP c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc2nonc12 ZINC000846797712 1321809475 /nfs/dbraw/zinc/80/94/75/1321809475.db2.gz VGEIJHJUXRZBQC-KRWDZBQOSA-N 2 1 328.460 3.311 20 0 EGADMP c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc2nonc12 ZINC000846797712 1321809480 /nfs/dbraw/zinc/80/94/80/1321809480.db2.gz VGEIJHJUXRZBQC-KRWDZBQOSA-N 2 1 328.460 3.311 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(/C=C\C(=O)OC)o2)c1 ZINC000848894340 1322033374 /nfs/dbraw/zinc/03/33/74/1322033374.db2.gz CWVSNPIRUARUAU-KHPPLWFESA-N 2 1 342.439 3.207 20 0 EGADMP CC(C)c1ccccc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000848910292 1322042813 /nfs/dbraw/zinc/04/28/13/1322042813.db2.gz HUUVRXQEDGHWHM-FQEVSTJZSA-N 2 1 329.532 3.410 20 0 EGADMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849083963 1322072066 /nfs/dbraw/zinc/07/20/66/1322072066.db2.gz REWHGLWPBSYBOH-ZDUSSCGKSA-N 2 1 344.381 3.396 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)c2ccccc2F)cc1F ZINC000920425638 1322176489 /nfs/dbraw/zinc/17/64/89/1322176489.db2.gz OIUDLEVBYUXSPB-LJQANCHMSA-N 2 1 343.377 3.282 20 0 EGADMP CCOC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000850447155 1322251622 /nfs/dbraw/zinc/25/16/22/1322251622.db2.gz HQNAQQYHNAURRJ-AOCRQIFASA-N 2 1 339.524 3.001 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)[C@H](C)C1 ZINC000921748646 1322391363 /nfs/dbraw/zinc/39/13/63/1322391363.db2.gz ZAVONHSMQOFKAS-HLIPFELVSA-N 2 1 346.515 3.237 20 0 EGADMP Cc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922389828 1322515955 /nfs/dbraw/zinc/51/59/55/1322515955.db2.gz XHWZRTKTLVSFKX-YRXWBPOGSA-N 2 1 336.907 3.218 20 0 EGADMP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000922389392 1322516174 /nfs/dbraw/zinc/51/61/74/1322516174.db2.gz UDLJTNWJTVNVHQ-CGXNFDGLSA-N 2 1 346.515 3.043 20 0 EGADMP Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923322144 1322734002 /nfs/dbraw/zinc/73/40/02/1322734002.db2.gz JWHBSIKUXLBGRN-RAFMOHDBSA-N 2 1 330.520 3.275 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000923486137 1322760939 /nfs/dbraw/zinc/76/09/39/1322760939.db2.gz NOIZKYGQLACJFK-YESZJQIVSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@@]1(Cc2ccc(Cl)s2)CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000923525992 1322769788 /nfs/dbraw/zinc/76/97/88/1322769788.db2.gz MKOGSIIRFQHMDM-CJNGLKHVSA-N 2 1 340.920 3.320 20 0 EGADMP C[NH+](C)Cc1ccc(-c2noc([C@H]3CC[N@H+]3C3CCCC3)n2)cc1 ZINC000923780420 1322808127 /nfs/dbraw/zinc/80/81/27/1322808127.db2.gz KOEFLNNIBPHQMM-QGZVFWFLSA-N 2 1 326.444 3.488 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1 ZINC001024018475 1323081136 /nfs/dbraw/zinc/08/11/36/1323081136.db2.gz ORHLITFKSCCZDU-MSOLQXFVSA-N 2 1 343.515 3.060 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024024396 1323081607 /nfs/dbraw/zinc/08/16/07/1323081607.db2.gz ZVOYNLRTLVYKNM-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)C2)CC1 ZINC000852008199 1323130761 /nfs/dbraw/zinc/13/07/61/1323130761.db2.gz URZUVJAWFMFOBA-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(Br)n2)C1 ZINC000924753449 1323145708 /nfs/dbraw/zinc/14/57/08/1323145708.db2.gz PPULUGHYLWKEPG-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(Br)n2)C1 ZINC000924753449 1323145712 /nfs/dbraw/zinc/14/57/12/1323145712.db2.gz PPULUGHYLWKEPG-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP CC(C)[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001024118748 1323148138 /nfs/dbraw/zinc/14/81/38/1323148138.db2.gz KAPWSZZUTSDPBS-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001024118747 1323148407 /nfs/dbraw/zinc/14/84/07/1323148407.db2.gz KAPWSZZUTSDPBS-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001024157317 1323179914 /nfs/dbraw/zinc/17/99/14/1323179914.db2.gz ZBNHLBZCHVVUIN-AZUAARDMSA-N 2 1 349.563 3.127 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001024232376 1323221187 /nfs/dbraw/zinc/22/11/87/1323221187.db2.gz PYGQNJVVBFUEAQ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001024236251 1323222638 /nfs/dbraw/zinc/22/26/38/1323222638.db2.gz IGRDUXRASHJBFC-UXHICEINSA-N 2 1 349.563 3.127 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024278723 1323256881 /nfs/dbraw/zinc/25/68/81/1323256881.db2.gz SGWLWIBJLRXPPY-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc3c2OCO3)[C@H](C)C1 ZINC000925077390 1323267720 /nfs/dbraw/zinc/26/77/20/1323267720.db2.gz GZBDCHFXBVRKRI-RYRKJORJSA-N 2 1 348.487 3.203 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc3c2OCO3)[C@H](C)C1 ZINC000925077390 1323267728 /nfs/dbraw/zinc/26/77/28/1323267728.db2.gz GZBDCHFXBVRKRI-RYRKJORJSA-N 2 1 348.487 3.203 20 0 EGADMP O[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000853106127 1323284851 /nfs/dbraw/zinc/28/48/51/1323284851.db2.gz QUIOWSQUAUKWJJ-PZJWPPBQSA-N 2 1 339.483 3.007 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCC2(CC2)CC1 ZINC001024366699 1323339727 /nfs/dbraw/zinc/33/97/27/1323339727.db2.gz UTHUIZWOATYUQX-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001024366699 1323339732 /nfs/dbraw/zinc/33/97/32/1323339732.db2.gz UTHUIZWOATYUQX-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCC2(CC2)CC1 ZINC001024366699 1323339737 /nfs/dbraw/zinc/33/97/37/1323339737.db2.gz UTHUIZWOATYUQX-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCCC1 ZINC001024366610 1323340594 /nfs/dbraw/zinc/34/05/94/1323340594.db2.gz UBVGGHIXANJUFY-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCC1CCCC1 ZINC001024366610 1323340603 /nfs/dbraw/zinc/34/06/03/1323340603.db2.gz UBVGGHIXANJUFY-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCC1CCCC1 ZINC001024366610 1323340609 /nfs/dbraw/zinc/34/06/09/1323340609.db2.gz UBVGGHIXANJUFY-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024437642 1323398656 /nfs/dbraw/zinc/39/86/56/1323398656.db2.gz UKFJWWYOMWKSRX-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001024437642 1323398660 /nfs/dbraw/zinc/39/86/60/1323398660.db2.gz UKFJWWYOMWKSRX-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC(C)(C)C ZINC001024437642 1323398667 /nfs/dbraw/zinc/39/86/67/1323398667.db2.gz UKFJWWYOMWKSRX-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479275 1323433291 /nfs/dbraw/zinc/43/32/91/1323433291.db2.gz DJNGZOUOFUZXIC-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479275 1323433292 /nfs/dbraw/zinc/43/32/92/1323433292.db2.gz DJNGZOUOFUZXIC-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479275 1323433295 /nfs/dbraw/zinc/43/32/95/1323433295.db2.gz DJNGZOUOFUZXIC-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1CC1CCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479732 1323433685 /nfs/dbraw/zinc/43/36/85/1323433685.db2.gz OHMIDTDROYUEEA-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCCC[NH+]1CC1CCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479732 1323433688 /nfs/dbraw/zinc/43/36/88/1323433688.db2.gz OHMIDTDROYUEEA-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCCC[NH+]1CC1CCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479732 1323433691 /nfs/dbraw/zinc/43/36/91/1323433691.db2.gz OHMIDTDROYUEEA-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024514127 1323463106 /nfs/dbraw/zinc/46/31/06/1323463106.db2.gz VXALTXUFGUHNNB-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC001024514127 1323463110 /nfs/dbraw/zinc/46/31/10/1323463110.db2.gz VXALTXUFGUHNNB-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCC1CCC1 ZINC001024514127 1323463113 /nfs/dbraw/zinc/46/31/13/1323463113.db2.gz VXALTXUFGUHNNB-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1cc(C[NH+]2CCCC[C@@H]2CNC(=O)[C@H]2CCCC[N@@H+]2C)cs1 ZINC001024513440 1323464086 /nfs/dbraw/zinc/46/40/86/1323464086.db2.gz QAWYCISGWHNLKC-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)[C@H]2CCCC[NH+]2C)cs1 ZINC001024513440 1323464087 /nfs/dbraw/zinc/46/40/87/1323464087.db2.gz QAWYCISGWHNLKC-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)[C@H]2CCCC[NH+]2C)cs1 ZINC001024513440 1323464090 /nfs/dbraw/zinc/46/40/90/1323464090.db2.gz QAWYCISGWHNLKC-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCCC1 ZINC001024514136 1323465386 /nfs/dbraw/zinc/46/53/86/1323465386.db2.gz VZDHYAXRVKKPQV-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCCC1 ZINC001024514136 1323465395 /nfs/dbraw/zinc/46/53/95/1323465395.db2.gz VZDHYAXRVKKPQV-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCCC1 ZINC001024514136 1323465400 /nfs/dbraw/zinc/46/54/00/1323465400.db2.gz VZDHYAXRVKKPQV-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC2CCCCC2)CC[N@H+]1C ZINC001024620073 1323546950 /nfs/dbraw/zinc/54/69/50/1323546950.db2.gz MWQHPHHJGDTRGJ-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC2CCCCC2)CC[NH+]1C ZINC001024620073 1323546956 /nfs/dbraw/zinc/54/69/56/1323546956.db2.gz MWQHPHHJGDTRGJ-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CC2CCCCC2)CC[NH+]1C ZINC001024620073 1323546962 /nfs/dbraw/zinc/54/69/62/1323546962.db2.gz MWQHPHHJGDTRGJ-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024737629 1323638175 /nfs/dbraw/zinc/63/81/75/1323638175.db2.gz KPNPOCLDWSLCAQ-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCC2CCCCCC2)C1 ZINC001024803278 1323705854 /nfs/dbraw/zinc/70/58/54/1323705854.db2.gz GQZAPERIPOKGFC-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCC2CCCCCC2)C1 ZINC001024803278 1323705863 /nfs/dbraw/zinc/70/58/63/1323705863.db2.gz GQZAPERIPOKGFC-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCC2CCCCCC2)C1 ZINC001024803278 1323705866 /nfs/dbraw/zinc/70/58/66/1323705866.db2.gz GQZAPERIPOKGFC-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024814020 1323714987 /nfs/dbraw/zinc/71/49/87/1323714987.db2.gz MATKNWORTLQKCS-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001024814020 1323714993 /nfs/dbraw/zinc/71/49/93/1323714993.db2.gz MATKNWORTLQKCS-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001024814020 1323714997 /nfs/dbraw/zinc/71/49/97/1323714997.db2.gz MATKNWORTLQKCS-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(-c4ccc(Cl)cc4)no3)C[C@@H]2C1 ZINC000931433359 1329116912 /nfs/dbraw/zinc/11/69/12/1329116912.db2.gz ZFAITTGLRHKENS-CABCVRRESA-N 2 1 331.847 3.379 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C[C@@H]2C1 ZINC000931433359 1329116916 /nfs/dbraw/zinc/11/69/16/1329116916.db2.gz ZFAITTGLRHKENS-CABCVRRESA-N 2 1 331.847 3.379 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C[C@@H]2C1 ZINC000931433359 1329116917 /nfs/dbraw/zinc/11/69/17/1329116917.db2.gz ZFAITTGLRHKENS-CABCVRRESA-N 2 1 331.847 3.379 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001025168399 1323936822 /nfs/dbraw/zinc/93/68/22/1323936822.db2.gz BXKLHYANEPDHCR-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025257814 1324064085 /nfs/dbraw/zinc/06/40/85/1324064085.db2.gz ACVQMFZCIDXFFY-PMACEKPBSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275072 1324094425 /nfs/dbraw/zinc/09/44/25/1324094425.db2.gz RYZNRSAAJGYDNI-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300968 1324134517 /nfs/dbraw/zinc/13/45/17/1324134517.db2.gz GQDVGKQXSMNKHV-MOPGFXCFSA-N 2 1 335.536 3.118 20 0 EGADMP Cc1c(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CC(C)C)C2)ccc2c[nH+]cn21 ZINC001025465943 1324310539 /nfs/dbraw/zinc/31/05/39/1324310539.db2.gz XCBSFHLYMLGKQR-RDJZCZTQSA-N 2 1 342.487 3.129 20 0 EGADMP O=C(NC1CCC([NH2+]CC2CC2)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001026548408 1324885148 /nfs/dbraw/zinc/88/51/48/1324885148.db2.gz YSOHPAGAABYVPT-QLOJAFMTSA-N 2 1 347.547 3.211 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccc(Br)n1 ZINC000925135211 1325058430 /nfs/dbraw/zinc/05/84/30/1325058430.db2.gz VKHYYAJERPNGIY-LBPRGKRZSA-N 2 1 337.265 3.480 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCN(OCc2ccccc2)CC1 ZINC000925135851 1325060883 /nfs/dbraw/zinc/06/08/83/1325060883.db2.gz ZPHJVBCUFBPHSG-UHFFFAOYSA-N 2 1 342.487 3.158 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001026887674 1325063072 /nfs/dbraw/zinc/06/30/72/1325063072.db2.gz SZHLOOYWSVLGOQ-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2CC[C@H](C3CCCCC3)C2=O)CC1 ZINC000853496735 1325105791 /nfs/dbraw/zinc/10/57/91/1325105791.db2.gz JUWBJIAWQJJTBK-HXUWFJFHSA-N 2 1 349.563 3.425 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963359017 1325155267 /nfs/dbraw/zinc/15/52/67/1325155267.db2.gz ZWKCCMJOWWPADW-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000963371842 1325176190 /nfs/dbraw/zinc/17/61/90/1325176190.db2.gz KFRFGNSHXDSMOA-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000963371842 1325176198 /nfs/dbraw/zinc/17/61/98/1325176198.db2.gz KFRFGNSHXDSMOA-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP c1ccc(CN2CCC([NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)CC2)cc1 ZINC000925495289 1325176978 /nfs/dbraw/zinc/17/69/78/1325176978.db2.gz TWYCLIJLRYKVEG-FCHUYYIVSA-N 2 1 341.543 3.409 20 0 EGADMP C[C@@H](c1ccccc1)N1CCC([NH2+][C@@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC1 ZINC000925506094 1325181868 /nfs/dbraw/zinc/18/18/68/1325181868.db2.gz XMGQDKJIHXVWQH-QFIDOLFYSA-N 2 1 327.516 3.331 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c(O[C@@H]2CCOC2)c1 ZINC000925553914 1325206130 /nfs/dbraw/zinc/20/61/30/1325206130.db2.gz WCVWQIPUCCQODH-IZBJGVDFSA-N 2 1 344.499 3.029 20 0 EGADMP COc1cccc(Oc2ccc(C[NH2+][C@H]3C[C@H]([NH3+])C34CCC4)cn2)c1 ZINC000925564613 1325212291 /nfs/dbraw/zinc/21/22/91/1325212291.db2.gz URZCYBOGLLWSDW-ROUUACIJSA-N 2 1 339.439 3.242 20 0 EGADMP Cc1nonc1[C@H](C)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000925617571 1325232938 /nfs/dbraw/zinc/23/29/38/1325232938.db2.gz XJSGNUGHVKKKBW-RLFYNMQTSA-N 2 1 328.460 3.329 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963426407 1325233915 /nfs/dbraw/zinc/23/39/15/1325233915.db2.gz AHQLDONPQMVHTN-PMACEKPBSA-N 2 1 349.563 3.366 20 0 EGADMP C[N@H+]1CC[C@H](CN[C@@H]2CC[NH2+]C2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925631101 1325239539 /nfs/dbraw/zinc/23/95/39/1325239539.db2.gz UQPNCRKRJALJHQ-KBRIMQKVSA-N 2 1 339.886 3.202 20 0 EGADMP Fc1cccc(-n2cccn2)c1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925687665 1325261926 /nfs/dbraw/zinc/26/19/26/1325261926.db2.gz LROUVGLRSOZOBM-APWZRJJASA-N 2 1 342.462 3.269 20 0 EGADMP Fc1cccc(-n2cccn2)c1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925687672 1325261941 /nfs/dbraw/zinc/26/19/41/1325261941.db2.gz LROUVGLRSOZOBM-VQIMIIECSA-N 2 1 342.462 3.269 20 0 EGADMP C1CCC(OC2CCC([NH2+][C@H]3C[NH2+]CC4(CCOCC4)C3)CC2)C1 ZINC000925795476 1325305137 /nfs/dbraw/zinc/30/51/37/1325305137.db2.gz YDDKYHCPGAERRQ-TVRKMHQQSA-N 2 1 336.520 3.005 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000963564047 1325321885 /nfs/dbraw/zinc/32/18/85/1325321885.db2.gz MJWFSNCWHZWGQA-MHJFOBGBSA-N 2 1 347.547 3.330 20 0 EGADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC000964184451 1325485001 /nfs/dbraw/zinc/48/50/01/1325485001.db2.gz FDYGYUZJTHWKLQ-HDYDNRTBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2ccnc(OC(F)F)c2)CC1 ZINC000926384529 1325535994 /nfs/dbraw/zinc/53/59/94/1325535994.db2.gz KOVMVLMGLNDDIG-UHFFFAOYSA-N 2 1 327.419 3.283 20 0 EGADMP CC(C)[C@H](CO)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926420477 1325547455 /nfs/dbraw/zinc/54/74/55/1325547455.db2.gz JBHADCIJBDDXAK-UDEWTMQYSA-N 2 1 330.516 3.426 20 0 EGADMP CON1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000926468020 1325564991 /nfs/dbraw/zinc/56/49/91/1325564991.db2.gz DNDFCKZGRHNBQC-SEJPIABJSA-N 2 1 343.515 3.188 20 0 EGADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857147070 1325582443 /nfs/dbraw/zinc/58/24/43/1325582443.db2.gz XYTYYBPHCHNGGZ-UFYCRDLUSA-N 2 1 343.515 3.098 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCCC2)C1 ZINC001027408247 1327634091 /nfs/dbraw/zinc/63/40/91/1327634091.db2.gz LVKDLNONVNWRJQ-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027408247 1327634097 /nfs/dbraw/zinc/63/40/97/1327634097.db2.gz LVKDLNONVNWRJQ-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027408247 1327634105 /nfs/dbraw/zinc/63/41/05/1327634105.db2.gz LVKDLNONVNWRJQ-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCCC2)C1 ZINC001027408246 1327634246 /nfs/dbraw/zinc/63/42/46/1327634246.db2.gz LVKDLNONVNWRJQ-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027408246 1327634252 /nfs/dbraw/zinc/63/42/52/1327634252.db2.gz LVKDLNONVNWRJQ-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027408246 1327634265 /nfs/dbraw/zinc/63/42/65/1327634265.db2.gz LVKDLNONVNWRJQ-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1 ZINC001027416159 1327644092 /nfs/dbraw/zinc/64/40/92/1327644092.db2.gz AAZQYTVQXTVCMI-SJLPKXTDSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC001027416159 1327644100 /nfs/dbraw/zinc/64/41/00/1327644100.db2.gz AAZQYTVQXTVCMI-SJLPKXTDSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CC3CCCC3)C2)C1 ZINC001027438861 1327679108 /nfs/dbraw/zinc/67/91/08/1327679108.db2.gz VVRGRGDAJFHUQD-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)CC3CCCC3)C2)C1 ZINC001027438861 1327679116 /nfs/dbraw/zinc/67/91/16/1327679116.db2.gz VVRGRGDAJFHUQD-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)CC3CCCC3)C2)C1 ZINC001027438861 1327679127 /nfs/dbraw/zinc/67/91/27/1327679127.db2.gz VVRGRGDAJFHUQD-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027449051 1327690335 /nfs/dbraw/zinc/69/03/35/1327690335.db2.gz PXOVKTGPBKQGOI-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001027449051 1327690342 /nfs/dbraw/zinc/69/03/42/1327690342.db2.gz PXOVKTGPBKQGOI-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001027449051 1327690351 /nfs/dbraw/zinc/69/03/51/1327690351.db2.gz PXOVKTGPBKQGOI-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(-n2cnnc2)c1 ZINC000926739512 1327692823 /nfs/dbraw/zinc/69/28/23/1327692823.db2.gz UECFETPGMLMTKA-WMZOPIPTSA-N 2 1 339.487 3.040 20 0 EGADMP C[N@@H+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027464429 1327713420 /nfs/dbraw/zinc/71/34/20/1327713420.db2.gz GFYYRZAMSOEWHD-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001027464429 1327713424 /nfs/dbraw/zinc/71/34/24/1327713424.db2.gz GFYYRZAMSOEWHD-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001027464429 1327713427 /nfs/dbraw/zinc/71/34/27/1327713427.db2.gz GFYYRZAMSOEWHD-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1 ZINC001027602242 1327955337 /nfs/dbraw/zinc/95/53/37/1327955337.db2.gz OIFLTGSUIRAXKH-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC001027602242 1327955343 /nfs/dbraw/zinc/95/53/43/1327955343.db2.gz OIFLTGSUIRAXKH-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC[C@@H]([N@@H+](C)CC3CC(C)(C)C3)C2)CC1 ZINC001027628452 1327992549 /nfs/dbraw/zinc/99/25/49/1327992549.db2.gz BNHPAELESHNZOP-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CCC1CCCCC1)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027650928 1328032422 /nfs/dbraw/zinc/03/24/22/1328032422.db2.gz KGTWUOLLXPFUCO-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCCC1)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001027650928 1328032428 /nfs/dbraw/zinc/03/24/28/1328032428.db2.gz KGTWUOLLXPFUCO-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCCC1)[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001027650928 1328032441 /nfs/dbraw/zinc/03/24/41/1328032441.db2.gz KGTWUOLLXPFUCO-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027680695 1328078125 /nfs/dbraw/zinc/07/81/25/1328078125.db2.gz JCKCVQBLAALVOS-RBUKOAKNSA-N 2 1 343.515 3.075 20 0 EGADMP C[N@@H+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681233 1328078194 /nfs/dbraw/zinc/07/81/94/1328078194.db2.gz RZIKYYAYOFXRGL-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1)[NH+]1CCCCC1 ZINC001027694549 1328100591 /nfs/dbraw/zinc/10/05/91/1328100591.db2.gz CHHGNGHYCGTNDR-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001027918813 1328398392 /nfs/dbraw/zinc/39/83/92/1328398392.db2.gz QIHHNYDVUIMIJJ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001027918813 1328398399 /nfs/dbraw/zinc/39/83/99/1328398399.db2.gz QIHHNYDVUIMIJJ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC001027918813 1328398409 /nfs/dbraw/zinc/39/84/09/1328398409.db2.gz QIHHNYDVUIMIJJ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001027986311 1328457691 /nfs/dbraw/zinc/45/76/91/1328457691.db2.gz URMYUPRPIUFIAZ-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001027986311 1328457695 /nfs/dbraw/zinc/45/76/95/1328457695.db2.gz URMYUPRPIUFIAZ-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCC1 ZINC001027986311 1328457703 /nfs/dbraw/zinc/45/77/03/1328457703.db2.gz URMYUPRPIUFIAZ-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCCC1)C12CCC[NH+]1CCC2 ZINC001027991594 1328460055 /nfs/dbraw/zinc/46/00/55/1328460055.db2.gz HBQWLASUHVTYRA-IBGZPJMESA-N 2 1 347.547 3.166 20 0 EGADMP CSc1ccc2cc(C[N@H+](C)CCOCC[NH3+])c(Cl)nc2c1 ZINC000863555035 1329562412 /nfs/dbraw/zinc/56/24/12/1329562412.db2.gz MAKXWICGQHURST-UHFFFAOYSA-N 2 1 339.892 3.017 20 0 EGADMP CSc1ccc2cc(C[N@@H+](C)CCOCC[NH3+])c(Cl)nc2c1 ZINC000863555035 1329562414 /nfs/dbraw/zinc/56/24/14/1329562414.db2.gz MAKXWICGQHURST-UHFFFAOYSA-N 2 1 339.892 3.017 20 0 EGADMP CC(C)CC[C@@H]([NH3+])c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000863661048 1329571821 /nfs/dbraw/zinc/57/18/21/1329571821.db2.gz IDOYXTGNMGVWKW-MRXNPFEDSA-N 2 1 332.448 3.113 20 0 EGADMP CC[NH+](CC)CCC[NH2+]Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000865397609 1329691463 /nfs/dbraw/zinc/69/14/63/1329691463.db2.gz JHRKBYNHVKVCEA-UHFFFAOYSA-N 2 1 336.430 3.187 20 0 EGADMP FC1(C2CC2)CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000932625097 1329828579 /nfs/dbraw/zinc/82/85/79/1329828579.db2.gz VOZNTUVHVIOSQT-UHFFFAOYSA-N 2 1 332.463 3.233 20 0 EGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)c2C1 ZINC000935000215 1330022408 /nfs/dbraw/zinc/02/24/08/1330022408.db2.gz RFCVKSILHCRPQI-IBGZPJMESA-N 2 1 329.488 3.470 20 0 EGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n(C)n1 ZINC000866412191 1330108266 /nfs/dbraw/zinc/10/82/66/1330108266.db2.gz BEOQSBLVLMCJLJ-AYBZRNKSSA-N 2 1 326.488 3.147 20 0 EGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n(C)n1 ZINC000866412191 1330108268 /nfs/dbraw/zinc/10/82/68/1330108268.db2.gz BEOQSBLVLMCJLJ-AYBZRNKSSA-N 2 1 326.488 3.147 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)CC1(C)C ZINC000940625867 1331131014 /nfs/dbraw/zinc/13/10/14/1331131014.db2.gz WBIFHQCIWMGTBZ-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941068081 1331318048 /nfs/dbraw/zinc/31/80/48/1331318048.db2.gz MDZYSIRORZWIPO-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941068081 1331318052 /nfs/dbraw/zinc/31/80/52/1331318052.db2.gz MDZYSIRORZWIPO-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CC2)CC[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942101712 1331830338 /nfs/dbraw/zinc/83/03/38/1331830338.db2.gz SPVSKFBGGWRSFQ-PBHICJAKSA-N 2 1 349.544 3.050 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942102369 1331831000 /nfs/dbraw/zinc/83/10/00/1331831000.db2.gz XVPBETRSECRWBB-DOTOQJQBSA-N 2 1 349.544 3.216 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCC2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557862 1331972673 /nfs/dbraw/zinc/97/26/73/1331972673.db2.gz OABNJLKAHQQQKZ-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C[C@H]1C ZINC000943287370 1332138818 /nfs/dbraw/zinc/13/88/18/1332138818.db2.gz IWARJWGYDCHKTK-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C[C@H]1C ZINC000943287370 1332138820 /nfs/dbraw/zinc/13/88/20/1332138820.db2.gz IWARJWGYDCHKTK-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)C[C@@H]2C)CC1 ZINC000943755715 1332254578 /nfs/dbraw/zinc/25/45/78/1332254578.db2.gz HOPJUCOUXLBYHM-ICSRJNTNSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945089049 1332496839 /nfs/dbraw/zinc/49/68/39/1332496839.db2.gz DSXBNMBUUIJQRJ-FXAWDEMLSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCC3CCCC3)C[C@H]2CC1)[NH+](C)C ZINC000946642339 1332868842 /nfs/dbraw/zinc/86/88/42/1332868842.db2.gz FRKKMAMIBJRAOD-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@H+]1CC1CCC1 ZINC000947361601 1333103500 /nfs/dbraw/zinc/10/35/00/1333103500.db2.gz PXCCMBOQOUKMNB-RHSMWYFYSA-N 2 1 349.544 3.193 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CCCC1CCC1 ZINC000947493059 1333146210 /nfs/dbraw/zinc/14/62/10/1333146210.db2.gz PSTSPMKHZXLNIB-MJGOQNOKSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1CC1CCCC1 ZINC000947506044 1333149666 /nfs/dbraw/zinc/14/96/66/1333149666.db2.gz JEMCWYLQCXCCFQ-MAUKXSAKSA-N 2 1 340.471 3.107 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1CCCCC1 ZINC000947614859 1333193272 /nfs/dbraw/zinc/19/32/72/1333193272.db2.gz AZEWFQVELMHATN-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1Cc1ccsc1 ZINC000947616658 1333193887 /nfs/dbraw/zinc/19/38/87/1333193887.db2.gz RATPHOYRZQYTRE-WBVHZDCISA-N 2 1 349.544 3.092 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1CCC1CC1 ZINC000947801355 1333265707 /nfs/dbraw/zinc/26/57/07/1333265707.db2.gz MSNKQAQAXXQGSI-UZLBHIALSA-N 2 1 343.515 3.131 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947907364 1333301229 /nfs/dbraw/zinc/30/12/29/1333301229.db2.gz GZFJUGBWRBLIOL-FXAWDEMLSA-N 2 1 347.547 3.044 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947940874 1333313860 /nfs/dbraw/zinc/31/38/60/1333313860.db2.gz UNFINHPXWLTFIZ-WBVHZDCISA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947940874 1333313862 /nfs/dbraw/zinc/31/38/62/1333313862.db2.gz UNFINHPXWLTFIZ-WBVHZDCISA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948064290 1333360313 /nfs/dbraw/zinc/36/03/13/1333360313.db2.gz AKCANKFOHJXPLZ-HKUYNNGSSA-N 2 1 345.531 3.377 20 0 EGADMP CN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)[C@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000948439304 1333525655 /nfs/dbraw/zinc/52/56/55/1333525655.db2.gz MHHXEWPYIFIVAI-ICSRJNTNSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[C@H]1CCC[NH+](CC2CC2)CC1 ZINC000948439304 1333525659 /nfs/dbraw/zinc/52/56/59/1333525659.db2.gz MHHXEWPYIFIVAI-ICSRJNTNSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[C@H]1CCC[NH+](CC2CC2)CC1 ZINC000948439304 1333525661 /nfs/dbraw/zinc/52/56/61/1333525661.db2.gz MHHXEWPYIFIVAI-ICSRJNTNSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H](F)CC[N@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948593430 1333588202 /nfs/dbraw/zinc/58/82/02/1333588202.db2.gz DUMNXSJKBSGHOI-RDJZCZTQSA-N 2 1 346.450 3.009 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](CCC3CC3)CC2)C1 ZINC000948711368 1333642984 /nfs/dbraw/zinc/64/29/84/1333642984.db2.gz OVNHKZHXGONURH-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](CCC3CC3)CC2)C1 ZINC000948711368 1333642986 /nfs/dbraw/zinc/64/29/86/1333642986.db2.gz OVNHKZHXGONURH-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CCC3CC3)CC2)C1 ZINC000948711368 1333642988 /nfs/dbraw/zinc/64/29/88/1333642988.db2.gz OVNHKZHXGONURH-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC000948775373 1333673477 /nfs/dbraw/zinc/67/34/77/1333673477.db2.gz HALVTHHEBGENES-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC000948775373 1333673479 /nfs/dbraw/zinc/67/34/79/1333673479.db2.gz HALVTHHEBGENES-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000948775373 1333673482 /nfs/dbraw/zinc/67/34/82/1333673482.db2.gz HALVTHHEBGENES-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829163 1333701057 /nfs/dbraw/zinc/70/10/57/1333701057.db2.gz FWMYSDBUTCLYBG-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829163 1333701059 /nfs/dbraw/zinc/70/10/59/1333701059.db2.gz FWMYSDBUTCLYBG-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000948829163 1333701064 /nfs/dbraw/zinc/70/10/64/1333701064.db2.gz FWMYSDBUTCLYBG-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CCCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829515 1333701548 /nfs/dbraw/zinc/70/15/48/1333701548.db2.gz PBWSKWPAHZTOQX-OALUTQOASA-N 2 1 337.552 3.362 20 0 EGADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829515 1333701552 /nfs/dbraw/zinc/70/15/52/1333701552.db2.gz PBWSKWPAHZTOQX-OALUTQOASA-N 2 1 337.552 3.362 20 0 EGADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000948829515 1333701555 /nfs/dbraw/zinc/70/15/55/1333701555.db2.gz PBWSKWPAHZTOQX-OALUTQOASA-N 2 1 337.552 3.362 20 0 EGADMP CC1CC(C[N@H+]2CCC[C@@H](N(C)C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000948833425 1333703617 /nfs/dbraw/zinc/70/36/17/1333703617.db2.gz SGTRWCXUTQTICL-LYBXBRPPSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)Cc1ncc[nH]1)[C@@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC000948886565 1333719360 /nfs/dbraw/zinc/71/93/60/1333719360.db2.gz OQYIGQRHEUFFJL-GOSISDBHSA-N 2 1 344.503 3.156 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)C1C[NH+](CC2CCC(C)CC2)C1 ZINC000950470232 1334076643 /nfs/dbraw/zinc/07/66/43/1334076643.db2.gz XWSITQZODOXTAP-AFMYVXGZSA-N 2 1 349.563 3.220 20 0 EGADMP O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000951628155 1334281521 /nfs/dbraw/zinc/28/15/21/1334281521.db2.gz JLLKDXYMMLDHHN-PMACEKPBSA-N 2 1 347.547 3.118 20 0 EGADMP O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000951628155 1334281523 /nfs/dbraw/zinc/28/15/23/1334281523.db2.gz JLLKDXYMMLDHHN-PMACEKPBSA-N 2 1 347.547 3.118 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC3=CCCCC3)CC[C@@H]2C)CC1 ZINC000968460244 1335932131 /nfs/dbraw/zinc/93/21/31/1335932131.db2.gz RKUMNVGZHGEDKE-AZUAARDMSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968683168 1336009489 /nfs/dbraw/zinc/00/94/89/1336009489.db2.gz ZCVGHUWBXHNVCN-PXNSSMCTSA-N 2 1 345.531 3.235 20 0 EGADMP C[C@H]1CC[N@H+](Cc2c[nH]c3cccc(Br)c23)C[C@H]1C[NH3+] ZINC001205303277 1370714324 /nfs/dbraw/zinc/71/43/24/1370714324.db2.gz BWPMIRMXYYPKIV-NWDGAFQWSA-N 2 1 336.277 3.347 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3cccc(Br)c23)C[C@H]1C[NH3+] ZINC001205303277 1370714328 /nfs/dbraw/zinc/71/43/28/1370714328.db2.gz BWPMIRMXYYPKIV-NWDGAFQWSA-N 2 1 336.277 3.347 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC2CCC2)C1 ZINC000968888728 1336080360 /nfs/dbraw/zinc/08/03/60/1336080360.db2.gz YMKQDXCHGVRMEH-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC2CCC2)C1 ZINC000968888728 1336080361 /nfs/dbraw/zinc/08/03/61/1336080361.db2.gz YMKQDXCHGVRMEH-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC2CCC2)C1 ZINC000968888728 1336080363 /nfs/dbraw/zinc/08/03/63/1336080363.db2.gz YMKQDXCHGVRMEH-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968933947 1336094986 /nfs/dbraw/zinc/09/49/86/1336094986.db2.gz IJUUWROOWYQBLO-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(NC[C@@H]1CCCCC[N@H+]1CC1CCC1)c1ccn2c[nH+]cc2c1 ZINC000968936512 1336095908 /nfs/dbraw/zinc/09/59/08/1336095908.db2.gz KDKQHZPWDQGEBP-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCC2=CCCCC2)C1 ZINC000969144607 1336161283 /nfs/dbraw/zinc/16/12/83/1336161283.db2.gz PNWAXGJGZNUQNS-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC2=CCCCC2)C1 ZINC000969144607 1336161287 /nfs/dbraw/zinc/16/12/87/1336161287.db2.gz PNWAXGJGZNUQNS-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CCC2=CCCCC2)C1 ZINC000969144607 1336161289 /nfs/dbraw/zinc/16/12/89/1336161289.db2.gz PNWAXGJGZNUQNS-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1)c1ccccc1 ZINC000969954508 1336265375 /nfs/dbraw/zinc/26/53/75/1336265375.db2.gz FLRKRZUJKJPGGP-RTBURBONSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC(CC)CC)CC1 ZINC001005475959 1336357983 /nfs/dbraw/zinc/35/79/83/1336357983.db2.gz LUXIUPVHXXOWAG-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001006084111 1336449817 /nfs/dbraw/zinc/44/98/17/1336449817.db2.gz MUUUQNFEKVGQFJ-IEBWSBKVSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001006121050 1336454962 /nfs/dbraw/zinc/45/49/62/1336454962.db2.gz UWCLKIXSCPLTGC-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001006294652 1336484918 /nfs/dbraw/zinc/48/49/18/1336484918.db2.gz NZCCRVCDABBYSD-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007497324 1336657931 /nfs/dbraw/zinc/65/79/31/1336657931.db2.gz COJCVJITIYAWSR-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001007497324 1336657934 /nfs/dbraw/zinc/65/79/34/1336657934.db2.gz COJCVJITIYAWSR-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001007497324 1336657936 /nfs/dbraw/zinc/65/79/36/1336657936.db2.gz COJCVJITIYAWSR-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2CCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001007499810 1336658537 /nfs/dbraw/zinc/65/85/37/1336658537.db2.gz QNNDJGGMTGDHNN-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CC2CCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001007499810 1336658538 /nfs/dbraw/zinc/65/85/38/1336658538.db2.gz QNNDJGGMTGDHNN-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CC2CCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001007499810 1336658539 /nfs/dbraw/zinc/65/85/39/1336658539.db2.gz QNNDJGGMTGDHNN-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007500194 1336658929 /nfs/dbraw/zinc/65/89/29/1336658929.db2.gz RGEJJSDUOINJKJ-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007500194 1336658932 /nfs/dbraw/zinc/65/89/32/1336658932.db2.gz RGEJJSDUOINJKJ-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007500194 1336658934 /nfs/dbraw/zinc/65/89/34/1336658934.db2.gz RGEJJSDUOINJKJ-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007744343 1336693819 /nfs/dbraw/zinc/69/38/19/1336693819.db2.gz JABAFVWJBQEZAT-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001007744343 1336693821 /nfs/dbraw/zinc/69/38/21/1336693821.db2.gz JABAFVWJBQEZAT-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001007744343 1336693824 /nfs/dbraw/zinc/69/38/24/1336693824.db2.gz JABAFVWJBQEZAT-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001007751556 1336694933 /nfs/dbraw/zinc/69/49/33/1336694933.db2.gz ZYWKZSXVTLEXIL-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001007751556 1336694935 /nfs/dbraw/zinc/69/49/35/1336694935.db2.gz ZYWKZSXVTLEXIL-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001007751556 1336694938 /nfs/dbraw/zinc/69/49/38/1336694938.db2.gz ZYWKZSXVTLEXIL-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCC2CC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001008277662 1336812760 /nfs/dbraw/zinc/81/27/60/1336812760.db2.gz UMCXPIQZUYKUDL-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CCC2CC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001008277662 1336812763 /nfs/dbraw/zinc/81/27/63/1336812763.db2.gz UMCXPIQZUYKUDL-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CCC2CC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001008277662 1336812766 /nfs/dbraw/zinc/81/27/66/1336812766.db2.gz UMCXPIQZUYKUDL-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](CC3CCCCC3)C2)C1 ZINC001008281850 1336814690 /nfs/dbraw/zinc/81/46/90/1336814690.db2.gz WXPOBSWHXANLTA-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)C1 ZINC001008281850 1336814692 /nfs/dbraw/zinc/81/46/92/1336814692.db2.gz WXPOBSWHXANLTA-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)C1 ZINC001008281850 1336814693 /nfs/dbraw/zinc/81/46/93/1336814693.db2.gz WXPOBSWHXANLTA-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001008534227 1336877426 /nfs/dbraw/zinc/87/74/26/1336877426.db2.gz WFDCQYDGZAMZKV-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001008534227 1336877428 /nfs/dbraw/zinc/87/74/28/1336877428.db2.gz WFDCQYDGZAMZKV-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001008534227 1336877431 /nfs/dbraw/zinc/87/74/31/1336877431.db2.gz WFDCQYDGZAMZKV-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001008747602 1336919871 /nfs/dbraw/zinc/91/98/71/1336919871.db2.gz MGSMFFZUHNZJKB-FUHWJXTLSA-N 2 1 349.544 3.093 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001008747602 1336919874 /nfs/dbraw/zinc/91/98/74/1336919874.db2.gz MGSMFFZUHNZJKB-FUHWJXTLSA-N 2 1 349.544 3.093 20 0 EGADMP CC1CCC(C[N@H+]2CCC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001008762603 1336922766 /nfs/dbraw/zinc/92/27/66/1336922766.db2.gz VAVWRNAZIZALGZ-LYBXBRPPSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001008974560 1336951478 /nfs/dbraw/zinc/95/14/78/1336951478.db2.gz MWNOVSBRAXIKCF-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001014706755 1337877074 /nfs/dbraw/zinc/87/70/74/1337877074.db2.gz ROMQQMRWDNMOJV-WOJBJXKFSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001014706755 1337877078 /nfs/dbraw/zinc/87/70/78/1337877078.db2.gz ROMQQMRWDNMOJV-WOJBJXKFSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001014706755 1337877082 /nfs/dbraw/zinc/87/70/82/1337877082.db2.gz ROMQQMRWDNMOJV-WOJBJXKFSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001015053819 1338003544 /nfs/dbraw/zinc/00/35/44/1338003544.db2.gz STYISNAXEQCSPX-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001015053819 1338003549 /nfs/dbraw/zinc/00/35/49/1338003549.db2.gz STYISNAXEQCSPX-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001015053819 1338003550 /nfs/dbraw/zinc/00/35/50/1338003550.db2.gz STYISNAXEQCSPX-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CC2CCCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001015114473 1338023730 /nfs/dbraw/zinc/02/37/30/1338023730.db2.gz PKUCSQVFFYURGM-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015291868 1338087340 /nfs/dbraw/zinc/08/73/40/1338087340.db2.gz WNSKBUPEGZFDCI-AEFFLSMTSA-N 2 1 348.450 3.208 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001015781743 1338307480 /nfs/dbraw/zinc/30/74/80/1338307480.db2.gz NQNVMPCIOVMBMH-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001015781743 1338307484 /nfs/dbraw/zinc/30/74/84/1338307484.db2.gz NQNVMPCIOVMBMH-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)cs1 ZINC001015791871 1338312075 /nfs/dbraw/zinc/31/20/75/1338312075.db2.gz OJFVABVSEQFXTA-QZTJIDSGSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCCC[NH+]3C(C)C)C2)cs1 ZINC001015791871 1338312077 /nfs/dbraw/zinc/31/20/77/1338312077.db2.gz OJFVABVSEQFXTA-QZTJIDSGSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCC[NH+]3C(C)C)C2)cs1 ZINC001015791871 1338312080 /nfs/dbraw/zinc/31/20/80/1338312080.db2.gz OJFVABVSEQFXTA-QZTJIDSGSA-N 2 1 349.544 3.010 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795813 1338315877 /nfs/dbraw/zinc/31/58/77/1338315877.db2.gz SRQQLLWHCGRKSO-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC3CCCCC3)C2)CC1 ZINC001015930165 1338363553 /nfs/dbraw/zinc/36/35/53/1338363553.db2.gz IVKXHGSAFUVYFY-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001015974108 1338387396 /nfs/dbraw/zinc/38/73/96/1338387396.db2.gz YYSQATKUWDUOPW-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001015974108 1338387398 /nfs/dbraw/zinc/38/73/98/1338387398.db2.gz YYSQATKUWDUOPW-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001015974108 1338387402 /nfs/dbraw/zinc/38/74/02/1338387402.db2.gz YYSQATKUWDUOPW-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](C(C)C)CC2 ZINC001016922450 1338770809 /nfs/dbraw/zinc/77/08/09/1338770809.db2.gz CVVGZMHLKRYULV-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1)CC1CCCCCC1 ZINC001017070473 1338847074 /nfs/dbraw/zinc/84/70/74/1338847074.db2.gz FYGGTIXYHLKSEI-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)CC1CCCCCC1 ZINC001017070473 1338847078 /nfs/dbraw/zinc/84/70/78/1338847078.db2.gz FYGGTIXYHLKSEI-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)CC1CCCCCC1 ZINC001017070473 1338847080 /nfs/dbraw/zinc/84/70/80/1338847080.db2.gz FYGGTIXYHLKSEI-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(C)cc2)C1)[NH+](C)C ZINC001017152229 1338902962 /nfs/dbraw/zinc/90/29/62/1338902962.db2.gz LUBWFFNXDJPNDJ-VQTJNVASSA-N 2 1 345.531 3.006 20 0 EGADMP C[N@@H+](C[C@H]1CCCN(C(=O)Cn2ccnc2)C1)CC1CCCCCC1 ZINC001017263337 1338989345 /nfs/dbraw/zinc/98/93/45/1338989345.db2.gz KQIUUADUCOIZAE-LJQANCHMSA-N 2 1 346.519 3.024 20 0 EGADMP CC(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001018312505 1339572511 /nfs/dbraw/zinc/57/25/11/1339572511.db2.gz FEYGMLAAWORGPV-ZCNNSNEGSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001018838310 1339736424 /nfs/dbraw/zinc/73/64/24/1339736424.db2.gz XOHCURYXBHWSOE-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001028181130 1340471189 /nfs/dbraw/zinc/47/11/89/1340471189.db2.gz OONHVBJMEBCFPZ-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001028181130 1340471190 /nfs/dbraw/zinc/47/11/90/1340471190.db2.gz OONHVBJMEBCFPZ-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCC1 ZINC001028181130 1340471191 /nfs/dbraw/zinc/47/11/91/1340471191.db2.gz OONHVBJMEBCFPZ-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCC1 ZINC001028252565 1340512611 /nfs/dbraw/zinc/51/26/11/1340512611.db2.gz YCIBSCZNNRPOSA-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC001028252565 1340512622 /nfs/dbraw/zinc/51/26/22/1340512622.db2.gz YCIBSCZNNRPOSA-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC001028252565 1340512627 /nfs/dbraw/zinc/51/26/27/1340512627.db2.gz YCIBSCZNNRPOSA-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001028579545 1340712358 /nfs/dbraw/zinc/71/23/58/1340712358.db2.gz GVJXYJVDILSPQK-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001028579545 1340712359 /nfs/dbraw/zinc/71/23/59/1340712359.db2.gz GVJXYJVDILSPQK-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001028579545 1340712363 /nfs/dbraw/zinc/71/23/63/1340712363.db2.gz GVJXYJVDILSPQK-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP Cc1c(C(=O)NC[C@H]2CC[N@@H+](CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001028647412 1340742023 /nfs/dbraw/zinc/74/20/23/1340742023.db2.gz GTASOXVXYHBZIE-MRXNPFEDSA-N 2 1 342.487 3.131 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+](CC3=CCCCC3)C2)C1 ZINC001028757959 1340793803 /nfs/dbraw/zinc/79/38/03/1340793803.db2.gz CIOVSEZKPVMPMP-PMACEKPBSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001028757959 1340793804 /nfs/dbraw/zinc/79/38/04/1340793804.db2.gz CIOVSEZKPVMPMP-PMACEKPBSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001028757959 1340793807 /nfs/dbraw/zinc/79/38/07/1340793807.db2.gz CIOVSEZKPVMPMP-PMACEKPBSA-N 2 1 347.547 3.047 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001028918638 1340884145 /nfs/dbraw/zinc/88/41/45/1340884145.db2.gz KFBYIIBOGAIVCJ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001028918638 1340884146 /nfs/dbraw/zinc/88/41/46/1340884146.db2.gz KFBYIIBOGAIVCJ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001028918638 1340884147 /nfs/dbraw/zinc/88/41/47/1340884147.db2.gz KFBYIIBOGAIVCJ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([C@@H](C)[NH2+]CC3CCC3)CC2)C1 ZINC001029133607 1340939210 /nfs/dbraw/zinc/93/92/10/1340939210.db2.gz VNUOLRFATGPKEM-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001029550415 1341010747 /nfs/dbraw/zinc/01/07/47/1341010747.db2.gz LQEHRWJQZJAMRT-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001029550415 1341010748 /nfs/dbraw/zinc/01/07/48/1341010748.db2.gz LQEHRWJQZJAMRT-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001029550415 1341010749 /nfs/dbraw/zinc/01/07/49/1341010749.db2.gz LQEHRWJQZJAMRT-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](CC)c1ccccc1)[NH+](C)C ZINC001029555643 1341011680 /nfs/dbraw/zinc/01/16/80/1341011680.db2.gz DOAGMWSWCDDXRC-YRPNKDGESA-N 2 1 343.515 3.153 20 0 EGADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C)[NH+]1CCCC1 ZINC001029597857 1341018961 /nfs/dbraw/zinc/01/89/61/1341018961.db2.gz MOEXJBLFTGUBBY-CEXWTWQISA-N 2 1 349.563 3.218 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029910346 1341113774 /nfs/dbraw/zinc/11/37/74/1341113774.db2.gz HKNMURFBQIDOHG-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001029910346 1341113775 /nfs/dbraw/zinc/11/37/75/1341113775.db2.gz HKNMURFBQIDOHG-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001029910346 1341113776 /nfs/dbraw/zinc/11/37/76/1341113776.db2.gz HKNMURFBQIDOHG-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCCCC2)C1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001030306088 1341177562 /nfs/dbraw/zinc/17/75/62/1341177562.db2.gz KATPQWZHURSHIY-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001031050849 1341270122 /nfs/dbraw/zinc/27/01/22/1341270122.db2.gz ZGYPKCHRENHQPY-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001031050849 1341270124 /nfs/dbraw/zinc/27/01/24/1341270124.db2.gz ZGYPKCHRENHQPY-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CC1(C)CCC(C[NH+]2CC(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)CC1 ZINC001031082585 1341275537 /nfs/dbraw/zinc/27/55/37/1341275537.db2.gz QMYJRMZZRYYYGE-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CCC(C[NH+]2CC(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)CC1 ZINC001031082585 1341275540 /nfs/dbraw/zinc/27/55/40/1341275540.db2.gz QMYJRMZZRYYYGE-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001031660276 1341383978 /nfs/dbraw/zinc/38/39/78/1341383978.db2.gz GRKZRRLPSRUDPL-PMACEKPBSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)(C)CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031673613 1341386412 /nfs/dbraw/zinc/38/64/12/1341386412.db2.gz QBWXJMCEDWGNJX-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2CCCCCC2)C1 ZINC001032027116 1341441698 /nfs/dbraw/zinc/44/16/98/1341441698.db2.gz ODQQTDXNZNONIJ-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC1CCC1 ZINC001032664160 1341576125 /nfs/dbraw/zinc/57/61/25/1341576125.db2.gz SZUAPWFDMUWRAV-UFYCRDLUSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCC1 ZINC001032664160 1341576126 /nfs/dbraw/zinc/57/61/26/1341576126.db2.gz SZUAPWFDMUWRAV-UFYCRDLUSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCC1 ZINC001032664160 1341576127 /nfs/dbraw/zinc/57/61/27/1341576127.db2.gz SZUAPWFDMUWRAV-UFYCRDLUSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C)[NH+]1CCCCC1 ZINC001032803669 1341619618 /nfs/dbraw/zinc/61/96/18/1341619618.db2.gz ICMQZZQNEMIPEC-GBESFXJTSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365533 1341797800 /nfs/dbraw/zinc/79/78/00/1341797800.db2.gz OQSBCLQAYSDSNL-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365533 1341797802 /nfs/dbraw/zinc/79/78/02/1341797802.db2.gz OQSBCLQAYSDSNL-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365533 1341797805 /nfs/dbraw/zinc/79/78/05/1341797805.db2.gz OQSBCLQAYSDSNL-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033684482 1341950059 /nfs/dbraw/zinc/95/00/59/1341950059.db2.gz GGKIDSUXUYAWAM-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033684482 1341950061 /nfs/dbraw/zinc/95/00/61/1341950061.db2.gz GGKIDSUXUYAWAM-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033684482 1341950065 /nfs/dbraw/zinc/95/00/65/1341950065.db2.gz GGKIDSUXUYAWAM-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033827031 1342028261 /nfs/dbraw/zinc/02/82/61/1342028261.db2.gz YSOZTXBGUAYJJN-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033827031 1342028264 /nfs/dbraw/zinc/02/82/64/1342028264.db2.gz YSOZTXBGUAYJJN-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033827031 1342028266 /nfs/dbraw/zinc/02/82/66/1342028266.db2.gz YSOZTXBGUAYJJN-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033836091 1342034666 /nfs/dbraw/zinc/03/46/66/1342034666.db2.gz LFIQQYFQJBBCER-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033836091 1342034670 /nfs/dbraw/zinc/03/46/70/1342034670.db2.gz LFIQQYFQJBBCER-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033836091 1342034673 /nfs/dbraw/zinc/03/46/73/1342034673.db2.gz LFIQQYFQJBBCER-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033878511 1342055573 /nfs/dbraw/zinc/05/55/73/1342055573.db2.gz LAEJMOPLBMBUGB-SFHVURJKSA-N 2 1 342.487 3.225 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001033932348 1342096444 /nfs/dbraw/zinc/09/64/44/1342096444.db2.gz LRGPKCFOJFZEAI-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(CC)[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001033932348 1342096449 /nfs/dbraw/zinc/09/64/49/1342096449.db2.gz LRGPKCFOJFZEAI-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(CC)[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001033932348 1342096456 /nfs/dbraw/zinc/09/64/56/1342096456.db2.gz LRGPKCFOJFZEAI-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001034132966 1342261918 /nfs/dbraw/zinc/26/19/18/1342261918.db2.gz VPNPHAFRZZMPET-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001034132966 1342261922 /nfs/dbraw/zinc/26/19/22/1342261922.db2.gz VPNPHAFRZZMPET-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001034132966 1342261926 /nfs/dbraw/zinc/26/19/26/1342261926.db2.gz VPNPHAFRZZMPET-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034203868 1342314121 /nfs/dbraw/zinc/31/41/21/1342314121.db2.gz HCHATNHDZBLNDF-QZTJIDSGSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccsc2)C1 ZINC001034203868 1342314124 /nfs/dbraw/zinc/31/41/24/1342314124.db2.gz HCHATNHDZBLNDF-QZTJIDSGSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccsc2)C1 ZINC001034203868 1342314130 /nfs/dbraw/zinc/31/41/30/1342314130.db2.gz HCHATNHDZBLNDF-QZTJIDSGSA-N 2 1 349.544 3.092 20 0 EGADMP O=C(N[C@H]1CCCC[N@@H+](CC2CC2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001034210774 1342319832 /nfs/dbraw/zinc/31/98/32/1342319832.db2.gz JNVAQZLTPJYWQX-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@H]1CCCC[NH+](CC2CC2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001034210774 1342319834 /nfs/dbraw/zinc/31/98/34/1342319834.db2.gz JNVAQZLTPJYWQX-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@H]1CCCC[NH+](CC2CC2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001034210774 1342319837 /nfs/dbraw/zinc/31/98/37/1342319837.db2.gz JNVAQZLTPJYWQX-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](CC2CC2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001034210781 1342320562 /nfs/dbraw/zinc/32/05/62/1342320562.db2.gz JNVAQZLTPJYWQX-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@@H]1CCCC[NH+](CC2CC2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001034210781 1342320565 /nfs/dbraw/zinc/32/05/65/1342320565.db2.gz JNVAQZLTPJYWQX-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@@H]1CCCC[NH+](CC2CC2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001034210781 1342320571 /nfs/dbraw/zinc/32/05/71/1342320571.db2.gz JNVAQZLTPJYWQX-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034228889 1342333084 /nfs/dbraw/zinc/33/30/84/1342333084.db2.gz JQPRAWXPUWYGCY-KRWDZBQOSA-N 2 1 349.544 3.360 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034228889 1342333090 /nfs/dbraw/zinc/33/30/90/1342333090.db2.gz JQPRAWXPUWYGCY-KRWDZBQOSA-N 2 1 349.544 3.360 20 0 EGADMP CC(C)C[N@@H+]1CCCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034229979 1342334486 /nfs/dbraw/zinc/33/44/86/1342334486.db2.gz ZKDGUVQMSHYTSZ-INIZCTEOSA-N 2 1 337.533 3.050 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034229979 1342334491 /nfs/dbraw/zinc/33/44/91/1342334491.db2.gz ZKDGUVQMSHYTSZ-INIZCTEOSA-N 2 1 337.533 3.050 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034248562 1342346772 /nfs/dbraw/zinc/34/67/72/1342346772.db2.gz DKXNVCVNKCGKHC-RTBURBONSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034248562 1342346774 /nfs/dbraw/zinc/34/67/74/1342346774.db2.gz DKXNVCVNKCGKHC-RTBURBONSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034248562 1342346777 /nfs/dbraw/zinc/34/67/77/1342346777.db2.gz DKXNVCVNKCGKHC-RTBURBONSA-N 2 1 335.536 3.186 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001034272578 1342363464 /nfs/dbraw/zinc/36/34/64/1342363464.db2.gz VVZMPPOMZPFMCW-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001034272578 1342363467 /nfs/dbraw/zinc/36/34/67/1342363467.db2.gz VVZMPPOMZPFMCW-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001034272578 1342363470 /nfs/dbraw/zinc/36/34/70/1342363470.db2.gz VVZMPPOMZPFMCW-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001034272578 1342363471 /nfs/dbraw/zinc/36/34/71/1342363471.db2.gz VVZMPPOMZPFMCW-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001034272576 1342364105 /nfs/dbraw/zinc/36/41/05/1342364105.db2.gz VVZMPPOMZPFMCW-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001034272576 1342364108 /nfs/dbraw/zinc/36/41/08/1342364108.db2.gz VVZMPPOMZPFMCW-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001034272576 1342364112 /nfs/dbraw/zinc/36/41/12/1342364112.db2.gz VVZMPPOMZPFMCW-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001034272576 1342364115 /nfs/dbraw/zinc/36/41/15/1342364115.db2.gz VVZMPPOMZPFMCW-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cs1 ZINC001034272887 1342364396 /nfs/dbraw/zinc/36/43/96/1342364396.db2.gz XXUFXCJBWHTANU-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)cs1 ZINC001034272887 1342364401 /nfs/dbraw/zinc/36/44/01/1342364401.db2.gz XXUFXCJBWHTANU-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)cs1 ZINC001034272887 1342364404 /nfs/dbraw/zinc/36/44/04/1342364404.db2.gz XXUFXCJBWHTANU-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](CC2CCCCCC2)C1 ZINC001034309576 1342391433 /nfs/dbraw/zinc/39/14/33/1342391433.db2.gz MTLLGIQINPBNTH-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](CC2CCCCCC2)C1 ZINC001034309576 1342391435 /nfs/dbraw/zinc/39/14/35/1342391435.db2.gz MTLLGIQINPBNTH-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034460148 1342515714 /nfs/dbraw/zinc/51/57/14/1342515714.db2.gz CKLASTVWMRSXMO-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034479229 1342536461 /nfs/dbraw/zinc/53/64/61/1342536461.db2.gz UZVGDMASFHDYEF-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(N[C@H]1CCCC[N@@H+](CCC2CCCCC2)C1)C12CC[NH+](CC1)C2 ZINC001034486761 1342544632 /nfs/dbraw/zinc/54/46/32/1342544632.db2.gz LTDATIBMRPLRHA-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034538252 1342595313 /nfs/dbraw/zinc/59/53/13/1342595313.db2.gz KHDRVTIOXZLPDX-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034538252 1342595316 /nfs/dbraw/zinc/59/53/16/1342595316.db2.gz KHDRVTIOXZLPDX-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034538252 1342595319 /nfs/dbraw/zinc/59/53/19/1342595319.db2.gz KHDRVTIOXZLPDX-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1)c1ccccc1 ZINC001034733468 1342728566 /nfs/dbraw/zinc/72/85/66/1342728566.db2.gz CPKRLOJMJGUYNX-HNBVOPMISA-N 2 1 343.515 3.106 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1 ZINC001034736771 1342728944 /nfs/dbraw/zinc/72/89/44/1342728944.db2.gz BVCUCQKKXDSIDS-AFYVEPGGSA-N 2 1 347.547 3.092 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1 ZINC001034749579 1342737448 /nfs/dbraw/zinc/73/74/48/1342737448.db2.gz NEFVGQLHBPCZMY-FHWLQOOXSA-N 2 1 335.536 3.066 20 0 EGADMP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001034753962 1342739664 /nfs/dbraw/zinc/73/96/64/1342739664.db2.gz NMUGWJLUKPEMQU-UAFMIMERSA-N 2 1 347.547 3.211 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034795636 1342762253 /nfs/dbraw/zinc/76/22/53/1342762253.db2.gz NDXZJSIDJKOITE-GUDVDZBRSA-N 2 1 335.536 3.068 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001034795852 1342762706 /nfs/dbraw/zinc/76/27/06/1342762706.db2.gz VJIAFWYAKLZOEA-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001035133990 1342949277 /nfs/dbraw/zinc/94/92/77/1342949277.db2.gz QHSHNLOYUBTHGM-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185664 1343000040 /nfs/dbraw/zinc/00/00/40/1343000040.db2.gz YRERIRXQHLWTDU-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035185664 1343000044 /nfs/dbraw/zinc/00/00/44/1343000044.db2.gz YRERIRXQHLWTDU-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035185664 1343000050 /nfs/dbraw/zinc/00/00/50/1343000050.db2.gz YRERIRXQHLWTDU-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC2 ZINC001035193522 1343007939 /nfs/dbraw/zinc/00/79/39/1343007939.db2.gz FJDADPXURVPGEL-IBGZPJMESA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CC2 ZINC001035193522 1343007941 /nfs/dbraw/zinc/00/79/41/1343007941.db2.gz FJDADPXURVPGEL-IBGZPJMESA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CC2 ZINC001035193522 1343007946 /nfs/dbraw/zinc/00/79/46/1343007946.db2.gz FJDADPXURVPGEL-IBGZPJMESA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233678 1343055197 /nfs/dbraw/zinc/05/51/97/1343055197.db2.gz JSTXJLOKBNSQQR-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035233678 1343055201 /nfs/dbraw/zinc/05/52/01/1343055201.db2.gz JSTXJLOKBNSQQR-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035233678 1343055205 /nfs/dbraw/zinc/05/52/05/1343055205.db2.gz JSTXJLOKBNSQQR-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC2(CC[NH+](CCC)C2)CC1 ZINC001035244891 1343066853 /nfs/dbraw/zinc/06/68/53/1343066853.db2.gz WFYUDAHHMZCTEG-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC2(CC[N@H+](CCC)C2)CC1 ZINC001035244891 1343066856 /nfs/dbraw/zinc/06/68/56/1343066856.db2.gz WFYUDAHHMZCTEG-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CCC)C2)CC1 ZINC001035244891 1343066861 /nfs/dbraw/zinc/06/68/61/1343066861.db2.gz WFYUDAHHMZCTEG-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[NH+](C)C1)CC2 ZINC001035247233 1343070319 /nfs/dbraw/zinc/07/03/19/1343070319.db2.gz UGHBQSBMDPUWLL-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)CC2 ZINC001035247233 1343070323 /nfs/dbraw/zinc/07/03/23/1343070323.db2.gz UGHBQSBMDPUWLL-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035247233 1343070329 /nfs/dbraw/zinc/07/03/29/1343070329.db2.gz UGHBQSBMDPUWLL-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1CCCC)CC2 ZINC001035838222 1343221333 /nfs/dbraw/zinc/22/13/33/1343221333.db2.gz VIOVPNRMRCREJP-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036904506 1343851423 /nfs/dbraw/zinc/85/14/23/1343851423.db2.gz SQZNGLFGGSFDAD-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CC1CCCC1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038247121 1344342514 /nfs/dbraw/zinc/34/25/14/1344342514.db2.gz GNKSIFRLRFWVQH-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CC1CCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038247121 1344342518 /nfs/dbraw/zinc/34/25/18/1344342518.db2.gz GNKSIFRLRFWVQH-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CC1CCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038247121 1344342524 /nfs/dbraw/zinc/34/25/24/1344342524.db2.gz GNKSIFRLRFWVQH-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CCC2=CCCCC2)C1 ZINC001038340388 1344386783 /nfs/dbraw/zinc/38/67/83/1344386783.db2.gz NCLNVZOANMLFHI-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCC2=CCCCC2)C1 ZINC001038340388 1344386787 /nfs/dbraw/zinc/38/67/87/1344386787.db2.gz NCLNVZOANMLFHI-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2CCC2=CCCCC2)C1 ZINC001038340388 1344386790 /nfs/dbraw/zinc/38/67/90/1344386790.db2.gz NCLNVZOANMLFHI-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038556129 1344481338 /nfs/dbraw/zinc/48/13/38/1344481338.db2.gz PREHYZKUZIAVBT-IBGZPJMESA-N 2 1 345.531 3.031 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CC1CCCC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038620904 1344507899 /nfs/dbraw/zinc/50/78/99/1344507899.db2.gz FVGPJZRSHGAQBU-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CC1CCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038620904 1344507902 /nfs/dbraw/zinc/50/79/02/1344507902.db2.gz FVGPJZRSHGAQBU-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CC1CCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001038620904 1344507904 /nfs/dbraw/zinc/50/79/04/1344507904.db2.gz FVGPJZRSHGAQBU-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[NH+]2CC2CCCCCC2)C1 ZINC001038621668 1344508855 /nfs/dbraw/zinc/50/88/55/1344508855.db2.gz GHOBFTMPYXNUIF-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CC2CCCCCC2)C1 ZINC001038621668 1344508857 /nfs/dbraw/zinc/50/88/57/1344508857.db2.gz GHOBFTMPYXNUIF-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CC[N@H+]2CC2CCCCCC2)C1 ZINC001038621668 1344508860 /nfs/dbraw/zinc/50/88/60/1344508860.db2.gz GHOBFTMPYXNUIF-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCCC1 ZINC001039051417 1344736482 /nfs/dbraw/zinc/73/64/82/1344736482.db2.gz VSSNAEGAQLCRQU-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCCC1 ZINC001039051417 1344736483 /nfs/dbraw/zinc/73/64/83/1344736483.db2.gz VSSNAEGAQLCRQU-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001039051417 1344736489 /nfs/dbraw/zinc/73/64/89/1344736489.db2.gz VSSNAEGAQLCRQU-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCCC1 ZINC001039051419 1344736776 /nfs/dbraw/zinc/73/67/76/1344736776.db2.gz VSSNAEGAQLCRQU-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCCC1 ZINC001039051419 1344736779 /nfs/dbraw/zinc/73/67/79/1344736779.db2.gz VSSNAEGAQLCRQU-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001039051419 1344736783 /nfs/dbraw/zinc/73/67/83/1344736783.db2.gz VSSNAEGAQLCRQU-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039227348 1344946214 /nfs/dbraw/zinc/94/62/14/1344946214.db2.gz CNDKOZKHKAFRLS-APWZRJJASA-N 2 1 340.471 3.059 20 0 EGADMP CC(C)[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039227353 1344946314 /nfs/dbraw/zinc/94/63/14/1344946314.db2.gz CNDKOZKHKAFRLS-VQIMIIECSA-N 2 1 340.471 3.059 20 0 EGADMP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001039301484 1345003643 /nfs/dbraw/zinc/00/36/43/1345003643.db2.gz KMEUWXVYABEVFZ-AYHJJNSGSA-N 2 1 346.519 3.307 20 0 EGADMP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001039313859 1345009732 /nfs/dbraw/zinc/00/97/32/1345009732.db2.gz UEYMRNAHMWGNGG-RAFMOHDBSA-N 2 1 343.515 3.199 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001039387172 1345039821 /nfs/dbraw/zinc/03/98/21/1345039821.db2.gz WGMQSASVLZRYAE-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001039387172 1345039823 /nfs/dbraw/zinc/03/98/23/1345039823.db2.gz WGMQSASVLZRYAE-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001039387172 1345039827 /nfs/dbraw/zinc/03/98/27/1345039827.db2.gz WGMQSASVLZRYAE-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001039425329 1345062154 /nfs/dbraw/zinc/06/21/54/1345062154.db2.gz XYTPLPINDSNHEG-MSOLQXFVSA-N 2 1 347.503 3.066 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001039425329 1345062156 /nfs/dbraw/zinc/06/21/56/1345062156.db2.gz XYTPLPINDSNHEG-MSOLQXFVSA-N 2 1 347.503 3.066 20 0 EGADMP CC[C@H](C(=O)N1CCC([N@@H+](CC2CC2)CC2CCCC2)CC1)[NH+](C)C ZINC001039486221 1345104934 /nfs/dbraw/zinc/10/49/34/1345104934.db2.gz GOJIQDAISHXVOH-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC(C)(C)C)C2)C1CC1 ZINC001040239909 1345390130 /nfs/dbraw/zinc/39/01/30/1345390130.db2.gz ASAICOQHRUPEBY-RXVVDRJESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040243781 1345393662 /nfs/dbraw/zinc/39/36/62/1345393662.db2.gz AXGKITLOFLSSAB-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040243781 1345393665 /nfs/dbraw/zinc/39/36/65/1345393665.db2.gz AXGKITLOFLSSAB-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001040243781 1345393668 /nfs/dbraw/zinc/39/36/68/1345393668.db2.gz AXGKITLOFLSSAB-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC(C)(C)C)C3)CC1 ZINC001040369533 1345459634 /nfs/dbraw/zinc/45/96/34/1345459634.db2.gz QFZJFZGMHGBENP-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040390576 1345472145 /nfs/dbraw/zinc/47/21/45/1345472145.db2.gz KKNLZHQNCGAKLI-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001040390576 1345472150 /nfs/dbraw/zinc/47/21/50/1345472150.db2.gz KKNLZHQNCGAKLI-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001040390576 1345472154 /nfs/dbraw/zinc/47/21/54/1345472154.db2.gz KKNLZHQNCGAKLI-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433183 1345496462 /nfs/dbraw/zinc/49/64/62/1345496462.db2.gz UIDIBSZPGVPQJC-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CC[NH+](CCC(C)C)CC3)CC[N@H+]1C ZINC001040708699 1345568503 /nfs/dbraw/zinc/56/85/03/1345568503.db2.gz YPIUPNRYDFLQGR-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC3(C2)CC[NH+](CC(C)C)CC3)C1 ZINC001040817135 1345581815 /nfs/dbraw/zinc/58/18/15/1345581815.db2.gz KXNUZHVWISOGGW-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041340061 1345705520 /nfs/dbraw/zinc/70/55/20/1345705520.db2.gz SDEIQRQVXYVGLK-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001041340061 1345705522 /nfs/dbraw/zinc/70/55/22/1345705522.db2.gz SDEIQRQVXYVGLK-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001041340061 1345705526 /nfs/dbraw/zinc/70/55/26/1345705526.db2.gz SDEIQRQVXYVGLK-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC(CC)CC)C2)C1 ZINC001041342728 1345706507 /nfs/dbraw/zinc/70/65/07/1345706507.db2.gz GBYSTLBQTHCNBA-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC(CC)CC)C2)C1 ZINC001041342728 1345706511 /nfs/dbraw/zinc/70/65/11/1345706511.db2.gz GBYSTLBQTHCNBA-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC(CC)CC)C2)C1 ZINC001041342728 1345706513 /nfs/dbraw/zinc/70/65/13/1345706513.db2.gz GBYSTLBQTHCNBA-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357160 1345708787 /nfs/dbraw/zinc/70/87/87/1345708787.db2.gz FGFCHSZYYKHUMD-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041357160 1345708790 /nfs/dbraw/zinc/70/87/90/1345708790.db2.gz FGFCHSZYYKHUMD-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041357160 1345708793 /nfs/dbraw/zinc/70/87/93/1345708793.db2.gz FGFCHSZYYKHUMD-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782023 1345847998 /nfs/dbraw/zinc/84/79/98/1345847998.db2.gz OSRZWEJIDXTYFI-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782023 1345847999 /nfs/dbraw/zinc/84/79/99/1345847999.db2.gz OSRZWEJIDXTYFI-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782023 1345848000 /nfs/dbraw/zinc/84/80/00/1345848000.db2.gz OSRZWEJIDXTYFI-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845496 1345871572 /nfs/dbraw/zinc/87/15/72/1345871572.db2.gz FSBUJQJZVIOOJX-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001044741613 1346418007 /nfs/dbraw/zinc/41/80/07/1346418007.db2.gz CBWYIJZCUWYVBC-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045104229 1346495382 /nfs/dbraw/zinc/49/53/82/1346495382.db2.gz VJUCVSRFRQHSNJ-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045229925 1346536920 /nfs/dbraw/zinc/53/69/20/1346536920.db2.gz ZMBWQNQGDVFQPN-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CCC2CCCC2)CC1 ZINC001045437991 1346594095 /nfs/dbraw/zinc/59/40/95/1346594095.db2.gz IFYVTTVLFKLQOT-LJQANCHMSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(CC)CC ZINC001045789811 1346698911 /nfs/dbraw/zinc/69/89/11/1346698911.db2.gz SZHXDTJIAAMKKP-AABGKKOBSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(CC)CC ZINC001045789811 1346698914 /nfs/dbraw/zinc/69/89/14/1346698914.db2.gz SZHXDTJIAAMKKP-AABGKKOBSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(CC)CC ZINC001045789811 1346698915 /nfs/dbraw/zinc/69/89/15/1346698915.db2.gz SZHXDTJIAAMKKP-AABGKKOBSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001045876292 1346728799 /nfs/dbraw/zinc/72/87/99/1346728799.db2.gz FDRXSGJLVBKBKT-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001045876292 1346728800 /nfs/dbraw/zinc/72/88/00/1346728800.db2.gz FDRXSGJLVBKBKT-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001045876292 1346728804 /nfs/dbraw/zinc/72/88/04/1346728804.db2.gz FDRXSGJLVBKBKT-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001045876293 1346729010 /nfs/dbraw/zinc/72/90/10/1346729010.db2.gz FDRXSGJLVBKBKT-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001045876293 1346729012 /nfs/dbraw/zinc/72/90/12/1346729012.db2.gz FDRXSGJLVBKBKT-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001045876293 1346729015 /nfs/dbraw/zinc/72/90/15/1346729015.db2.gz FDRXSGJLVBKBKT-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@]3(CC[NH+](CC(C)C)C3)C2)CC[N@H+]1C ZINC001045938999 1346774811 /nfs/dbraw/zinc/77/48/11/1346774811.db2.gz RIXJHRSXFLHUGG-ZVDOUQERSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@]3(CC[N@H+](CC(C)C)C3)C2)CC[NH+]1C ZINC001045938999 1346774812 /nfs/dbraw/zinc/77/48/12/1346774812.db2.gz RIXJHRSXFLHUGG-ZVDOUQERSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@]3(CC[N@@H+](CC(C)C)C3)C2)CC[NH+]1C ZINC001045938999 1346774815 /nfs/dbraw/zinc/77/48/15/1346774815.db2.gz RIXJHRSXFLHUGG-ZVDOUQERSA-N 2 1 349.563 3.077 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@]2(CC[N@@H+](CC)C2)C1 ZINC001045938970 1346775136 /nfs/dbraw/zinc/77/51/36/1346775136.db2.gz QPCGRVZIPXXTDA-FXAWDEMLSA-N 2 1 346.519 3.121 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@]2(CC[N@H+](CC)C2)C1 ZINC001045938970 1346775137 /nfs/dbraw/zinc/77/51/37/1346775137.db2.gz QPCGRVZIPXXTDA-FXAWDEMLSA-N 2 1 346.519 3.121 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045951009 1346786359 /nfs/dbraw/zinc/78/63/59/1346786359.db2.gz RJXPJCMNETZJOE-FQEVSTJZSA-N 2 1 347.547 3.120 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001045960560 1346795326 /nfs/dbraw/zinc/79/53/26/1346795326.db2.gz MPGZJMRJTJVZPH-FQEVSTJZSA-N 2 1 347.503 3.069 20 0 EGADMP CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045970038 1346805824 /nfs/dbraw/zinc/80/58/24/1346805824.db2.gz AGGKNXUQJAFRCC-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CC(C)C)C2)C1 ZINC001045986258 1346827995 /nfs/dbraw/zinc/82/79/95/1346827995.db2.gz MGIRODAHLAVHQK-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001045986258 1346827998 /nfs/dbraw/zinc/82/79/98/1346827998.db2.gz MGIRODAHLAVHQK-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001045986258 1346827999 /nfs/dbraw/zinc/82/79/99/1346827999.db2.gz MGIRODAHLAVHQK-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CC3CCC(C)(C)CC3)C2)CC[N@H+]1C ZINC001046330102 1346936194 /nfs/dbraw/zinc/93/61/94/1346936194.db2.gz WNSOJIYPQUQYOF-BLIXFSHQSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@H+](CC3CCC(C)(C)CC3)C2)CC[NH+]1C ZINC001046330102 1346936197 /nfs/dbraw/zinc/93/61/97/1346936197.db2.gz WNSOJIYPQUQYOF-BLIXFSHQSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CC3CCC(C)(C)CC3)C2)CC[NH+]1C ZINC001046330102 1346936199 /nfs/dbraw/zinc/93/61/99/1346936199.db2.gz WNSOJIYPQUQYOF-BLIXFSHQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](CC3CCCCC3)C2)C1 ZINC001046368918 1346952297 /nfs/dbraw/zinc/95/22/97/1346952297.db2.gz KFMLNGGVJRJRHC-TZIWHRDSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@H+](CC3CCCCC3)C2)C1 ZINC001046368918 1346952299 /nfs/dbraw/zinc/95/22/99/1346952299.db2.gz KFMLNGGVJRJRHC-TZIWHRDSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001046368918 1346952300 /nfs/dbraw/zinc/95/23/00/1346952300.db2.gz KFMLNGGVJRJRHC-TZIWHRDSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@]1(NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+](CCC2CCCC2)C1 ZINC001046450083 1346977691 /nfs/dbraw/zinc/97/76/91/1346977691.db2.gz OXRQDKZFRGMLBX-HXUWFJFHSA-N 2 1 340.471 3.109 20 0 EGADMP Cc1cccc(C[N@H+]2CC[C@](C)(NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001046449292 1346977924 /nfs/dbraw/zinc/97/79/24/1346977924.db2.gz BOFWHSSITRHFJX-NRFANRHFSA-N 2 1 348.450 3.037 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@]2(C)CC[NH+](CC3CCCCC3)C2)C1 ZINC001046561442 1347017667 /nfs/dbraw/zinc/01/76/67/1347017667.db2.gz GURSDQPLFZLHGF-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@]2(C)CC[N@H+](CC3CCCCC3)C2)C1 ZINC001046561442 1347017668 /nfs/dbraw/zinc/01/76/68/1347017668.db2.gz GURSDQPLFZLHGF-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001046561442 1347017670 /nfs/dbraw/zinc/01/76/70/1347017670.db2.gz GURSDQPLFZLHGF-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046760455 1347087849 /nfs/dbraw/zinc/08/78/49/1347087849.db2.gz GMJVYZNNGKPBDA-OAQYLSRUSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@]2(C)CC[N@@H+](CC3CCCC3)C2)c1 ZINC001046852905 1347130205 /nfs/dbraw/zinc/13/02/05/1347130205.db2.gz QXIRYPFFJDZCCS-OAQYLSRUSA-N 2 1 343.515 3.133 20 0 EGADMP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001047245138 1347270678 /nfs/dbraw/zinc/27/06/78/1347270678.db2.gz XRRXXEUGMRTFMY-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001047257175 1347280019 /nfs/dbraw/zinc/28/00/19/1347280019.db2.gz PFZQDCFRHVJQNQ-QUCCMNQESA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001048556404 1347591747 /nfs/dbraw/zinc/59/17/47/1347591747.db2.gz FYGGESJNRYOXHZ-FSGKZVOOSA-N 2 1 347.547 3.042 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001048556404 1347591750 /nfs/dbraw/zinc/59/17/50/1347591750.db2.gz FYGGESJNRYOXHZ-FSGKZVOOSA-N 2 1 347.547 3.042 20 0 EGADMP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001048556404 1347591752 /nfs/dbraw/zinc/59/17/52/1347591752.db2.gz FYGGESJNRYOXHZ-FSGKZVOOSA-N 2 1 347.547 3.042 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[NH+](CCC(C)(C)C)C[C@@H]2C1 ZINC001048862101 1347672307 /nfs/dbraw/zinc/67/23/07/1347672307.db2.gz PLRBFVPZSBOZFF-OTWHNJEPSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001048862101 1347672308 /nfs/dbraw/zinc/67/23/08/1347672308.db2.gz PLRBFVPZSBOZFF-OTWHNJEPSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001048862101 1347672313 /nfs/dbraw/zinc/67/23/13/1347672313.db2.gz PLRBFVPZSBOZFF-OTWHNJEPSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477440 1347868943 /nfs/dbraw/zinc/86/89/43/1347868943.db2.gz GQSSWRNVOVRHTH-RTBURBONSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001049566191 1347913397 /nfs/dbraw/zinc/91/33/97/1347913397.db2.gz HGNRREUZFUJPGV-VAMGGRTRSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049566191 1347913399 /nfs/dbraw/zinc/91/33/99/1347913399.db2.gz HGNRREUZFUJPGV-VAMGGRTRSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049566191 1347913400 /nfs/dbraw/zinc/91/34/00/1347913400.db2.gz HGNRREUZFUJPGV-VAMGGRTRSA-N 2 1 347.547 3.138 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572670 1347915980 /nfs/dbraw/zinc/91/59/80/1347915980.db2.gz MRTMSIGXOBEAEW-ZYSHUDEJSA-N 2 1 340.471 3.059 20 0 EGADMP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677109 1347968134 /nfs/dbraw/zinc/96/81/34/1347968134.db2.gz RRHCAYXGFOSTGI-ZWKOTPCHSA-N 2 1 347.503 3.066 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677109 1347968136 /nfs/dbraw/zinc/96/81/36/1347968136.db2.gz RRHCAYXGFOSTGI-ZWKOTPCHSA-N 2 1 347.503 3.066 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC1CCCC1)[NH+](C)C ZINC001049727882 1347991044 /nfs/dbraw/zinc/99/10/44/1347991044.db2.gz MGZCHXLQQPOFGR-UFYCRDLUSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001049726133 1347991612 /nfs/dbraw/zinc/99/16/12/1347991612.db2.gz CPIBONFWKGIVEC-XUVXKRRUSA-N 2 1 347.547 3.282 20 0 EGADMP CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763141 1348007658 /nfs/dbraw/zinc/00/76/58/1348007658.db2.gz UMULPCOOXSVTIX-ROUUACIJSA-N 2 1 346.519 3.262 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763141 1348007660 /nfs/dbraw/zinc/00/76/60/1348007660.db2.gz UMULPCOOXSVTIX-ROUUACIJSA-N 2 1 346.519 3.262 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049768684 1348010991 /nfs/dbraw/zinc/01/09/91/1348010991.db2.gz YPJUFGMKXBAOBK-ZCNNSNEGSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001049768684 1348010995 /nfs/dbraw/zinc/01/09/95/1348010995.db2.gz YPJUFGMKXBAOBK-ZCNNSNEGSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001049768684 1348010997 /nfs/dbraw/zinc/01/09/97/1348010997.db2.gz YPJUFGMKXBAOBK-ZCNNSNEGSA-N 2 1 349.563 3.361 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001079806421 1357387559 /nfs/dbraw/zinc/38/75/59/1357387559.db2.gz GDHXXBYNKGHZEU-RLLQIKCJSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C ZINC001079806421 1357387563 /nfs/dbraw/zinc/38/75/63/1357387563.db2.gz GDHXXBYNKGHZEU-RLLQIKCJSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C ZINC001079806421 1357387566 /nfs/dbraw/zinc/38/75/66/1357387566.db2.gz GDHXXBYNKGHZEU-RLLQIKCJSA-N 2 1 347.547 3.188 20 0 EGADMP CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001050247622 1348217605 /nfs/dbraw/zinc/21/76/05/1348217605.db2.gz JXSXFEVUUWCADT-FQEVSTJZSA-N 2 1 343.515 3.162 20 0 EGADMP CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001050247622 1348217607 /nfs/dbraw/zinc/21/76/07/1348217607.db2.gz JXSXFEVUUWCADT-FQEVSTJZSA-N 2 1 343.515 3.162 20 0 EGADMP CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001050247622 1348217610 /nfs/dbraw/zinc/21/76/10/1348217610.db2.gz JXSXFEVUUWCADT-FQEVSTJZSA-N 2 1 343.515 3.162 20 0 EGADMP CC1CC(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001050366751 1348240126 /nfs/dbraw/zinc/24/01/26/1348240126.db2.gz XLFBAKLULDDIRZ-ASUHFHQRSA-N 2 1 349.563 3.029 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)CC1 ZINC001050367673 1348240523 /nfs/dbraw/zinc/24/05/23/1348240523.db2.gz OCNRPHRBKUQKRG-MISYRCLQSA-N 2 1 347.547 3.236 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052369443 1348534014 /nfs/dbraw/zinc/53/40/14/1348534014.db2.gz RCTAUJUXVLELEG-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC001052369443 1348534015 /nfs/dbraw/zinc/53/40/15/1348534015.db2.gz RCTAUJUXVLELEG-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001052369443 1348534017 /nfs/dbraw/zinc/53/40/17/1348534017.db2.gz RCTAUJUXVLELEG-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CC3=CCCCC3)CC2)CC[N@H+]1C ZINC001052395184 1348539522 /nfs/dbraw/zinc/53/95/22/1348539522.db2.gz MCGGBYHCRFQEQE-SLFFLAALSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](CC3=CCCCC3)CC2)CC[NH+]1C ZINC001052395184 1348539525 /nfs/dbraw/zinc/53/95/25/1348539525.db2.gz MCGGBYHCRFQEQE-SLFFLAALSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC3=CCCCC3)CC2)CC[NH+]1C ZINC001052395184 1348539528 /nfs/dbraw/zinc/53/95/28/1348539528.db2.gz MCGGBYHCRFQEQE-SLFFLAALSA-N 2 1 347.547 3.188 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)CC1 ZINC001052499483 1348560107 /nfs/dbraw/zinc/56/01/07/1348560107.db2.gz WDBJTSMVKXGAAI-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC001052499483 1348560109 /nfs/dbraw/zinc/56/01/09/1348560109.db2.gz WDBJTSMVKXGAAI-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC001052499483 1348560110 /nfs/dbraw/zinc/56/01/10/1348560110.db2.gz WDBJTSMVKXGAAI-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CCC[N@@H+](CCC3CC3)CC2)ccc2c[nH+]cn21 ZINC001052515015 1348564012 /nfs/dbraw/zinc/56/40/12/1348564012.db2.gz XWHMVLKPEZKSOH-QGZVFWFLSA-N 2 1 340.471 3.027 20 0 EGADMP CC1(C)CC(C[N@H+]2CCC[C@H](NC(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001052528906 1348567139 /nfs/dbraw/zinc/56/71/39/1348567139.db2.gz NYJCBKDAFIRFBM-SFHVURJKSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052621111 1348598329 /nfs/dbraw/zinc/59/83/29/1348598329.db2.gz WTBNWLMSQAUDMO-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](CC=C(C)C)CC2)C1 ZINC001052652133 1348614740 /nfs/dbraw/zinc/61/47/40/1348614740.db2.gz UBMQSVRUHDFCOK-OALUTQOASA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@H+](CC=C(C)C)CC2)C1 ZINC001052652133 1348614742 /nfs/dbraw/zinc/61/47/42/1348614742.db2.gz UBMQSVRUHDFCOK-OALUTQOASA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@@H+](CC=C(C)C)CC2)C1 ZINC001052652133 1348614745 /nfs/dbraw/zinc/61/47/45/1348614745.db2.gz UBMQSVRUHDFCOK-OALUTQOASA-N 2 1 335.536 3.045 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)CC1 ZINC001052712687 1348644736 /nfs/dbraw/zinc/64/47/36/1348644736.db2.gz NLMRQUZFHDJUAF-ICSRJNTNSA-N 2 1 347.547 3.332 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC001052712687 1348644738 /nfs/dbraw/zinc/64/47/38/1348644738.db2.gz NLMRQUZFHDJUAF-ICSRJNTNSA-N 2 1 347.547 3.332 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC001052712687 1348644740 /nfs/dbraw/zinc/64/47/40/1348644740.db2.gz NLMRQUZFHDJUAF-ICSRJNTNSA-N 2 1 347.547 3.332 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC001052712956 1348644769 /nfs/dbraw/zinc/64/47/69/1348644769.db2.gz QGOXRMHUCGREDU-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001052712956 1348644771 /nfs/dbraw/zinc/64/47/71/1348644771.db2.gz QGOXRMHUCGREDU-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001052712956 1348644775 /nfs/dbraw/zinc/64/47/75/1348644775.db2.gz QGOXRMHUCGREDU-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001052715273 1348645980 /nfs/dbraw/zinc/64/59/80/1348645980.db2.gz BTVVCFHYLBSYGB-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001052715273 1348645981 /nfs/dbraw/zinc/64/59/81/1348645981.db2.gz BTVVCFHYLBSYGB-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001052715273 1348645984 /nfs/dbraw/zinc/64/59/84/1348645984.db2.gz BTVVCFHYLBSYGB-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052757007 1348666367 /nfs/dbraw/zinc/66/63/67/1348666367.db2.gz KMGUNDZOGPCSDQ-IAGOWNOFSA-N 2 1 334.508 3.023 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052757007 1348666370 /nfs/dbraw/zinc/66/63/70/1348666370.db2.gz KMGUNDZOGPCSDQ-IAGOWNOFSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052765049 1348669925 /nfs/dbraw/zinc/66/99/25/1348669925.db2.gz VLOQZYLUZJURRM-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052765049 1348669926 /nfs/dbraw/zinc/66/99/26/1348669926.db2.gz VLOQZYLUZJURRM-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052765049 1348669930 /nfs/dbraw/zinc/66/99/30/1348669930.db2.gz VLOQZYLUZJURRM-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@@H+](CCCC3CCC3)CC2)CC1 ZINC001052766397 1348671020 /nfs/dbraw/zinc/67/10/20/1348671020.db2.gz BUYLXUYIABGNJC-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001052936418 1348755766 /nfs/dbraw/zinc/75/57/66/1348755766.db2.gz AKMPNJUODSITLE-IBGZPJMESA-N 2 1 335.536 3.023 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CCC3CCCCCC3)CC2)C1 ZINC001052936224 1348755908 /nfs/dbraw/zinc/75/59/08/1348755908.db2.gz YXCUIEFVBOIXPN-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](CCC3CCCCCC3)CC2)C1 ZINC001052936224 1348755910 /nfs/dbraw/zinc/75/59/10/1348755910.db2.gz YXCUIEFVBOIXPN-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCC3CCCCCC3)CC2)C1 ZINC001052936224 1348755915 /nfs/dbraw/zinc/75/59/15/1348755915.db2.gz YXCUIEFVBOIXPN-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052956653 1348770550 /nfs/dbraw/zinc/77/05/50/1348770550.db2.gz WIOXDBUYHHAYCR-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001052956653 1348770554 /nfs/dbraw/zinc/77/05/54/1348770554.db2.gz WIOXDBUYHHAYCR-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001052956653 1348770559 /nfs/dbraw/zinc/77/05/59/1348770559.db2.gz WIOXDBUYHHAYCR-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC001052956586 1348770588 /nfs/dbraw/zinc/77/05/88/1348770588.db2.gz VKCQFOGWZKVHJG-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001052956586 1348770594 /nfs/dbraw/zinc/77/05/94/1348770594.db2.gz VKCQFOGWZKVHJG-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001052956586 1348770597 /nfs/dbraw/zinc/77/05/97/1348770597.db2.gz VKCQFOGWZKVHJG-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001054140634 1349152061 /nfs/dbraw/zinc/15/20/61/1349152061.db2.gz RHOLMJSTFXQLOR-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001054140634 1349152062 /nfs/dbraw/zinc/15/20/62/1349152062.db2.gz RHOLMJSTFXQLOR-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCC(C)C)C2)C1 ZINC001054140634 1349152065 /nfs/dbraw/zinc/15/20/65/1349152065.db2.gz RHOLMJSTFXQLOR-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001054153478 1349157233 /nfs/dbraw/zinc/15/72/33/1349157233.db2.gz RMZHKRCBEUTBNA-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001054153478 1349157236 /nfs/dbraw/zinc/15/72/36/1349157236.db2.gz RMZHKRCBEUTBNA-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001054153478 1349157237 /nfs/dbraw/zinc/15/72/37/1349157237.db2.gz RMZHKRCBEUTBNA-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054195724 1349198378 /nfs/dbraw/zinc/19/83/78/1349198378.db2.gz BUQYOTICGXXLHA-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001054195724 1349198381 /nfs/dbraw/zinc/19/83/81/1349198381.db2.gz BUQYOTICGXXLHA-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001054195724 1349198385 /nfs/dbraw/zinc/19/83/85/1349198385.db2.gz BUQYOTICGXXLHA-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](C(C)C)C2)C1)[NH+]1CCCCC1 ZINC001054244820 1349238277 /nfs/dbraw/zinc/23/82/77/1349238277.db2.gz IWVSEWCQRIKGHI-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001071651022 1354827347 /nfs/dbraw/zinc/82/73/47/1354827347.db2.gz FUEOCDHIGVGSOY-MAUKXSAKSA-N 2 1 342.487 3.353 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CCC1=CCCCC1 ZINC001071796009 1354941150 /nfs/dbraw/zinc/94/11/50/1354941150.db2.gz PERCVSRLTFMVOT-FXAWDEMLSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CCCC1CCCC1 ZINC001071796674 1354941789 /nfs/dbraw/zinc/94/17/89/1354941789.db2.gz VNWUDWQRLFTNNI-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CC1CC(C)(C)C1 ZINC001071871992 1354997451 /nfs/dbraw/zinc/99/74/51/1354997451.db2.gz KPSDSEPKPQBXMR-LPHOPBHVSA-N 2 1 349.563 3.124 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001071919871 1355024925 /nfs/dbraw/zinc/02/49/25/1355024925.db2.gz JLPVINQVDQBDQM-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[N@H+]1CC1CCCCCC1 ZINC001071996262 1355065891 /nfs/dbraw/zinc/06/58/91/1355065891.db2.gz PRHKOZXPQVLDEL-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CC1CCC2(CC2)CC1 ZINC001072081453 1355118826 /nfs/dbraw/zinc/11/88/26/1355118826.db2.gz MAHONLKMUMLRIY-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CCC(C)(C)CC1)C2)[NH+](C)C ZINC001072990673 1355536301 /nfs/dbraw/zinc/53/63/01/1355536301.db2.gz CKRZQVVUIQDGTA-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCCC1)[NH+](C)C ZINC001074066576 1356064014 /nfs/dbraw/zinc/06/40/14/1356064014.db2.gz IJJUQGCAYXWGHF-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@@H]1C ZINC001074877692 1356277003 /nfs/dbraw/zinc/27/70/03/1356277003.db2.gz HMIFFVGIQIFJLS-AOIWGVFYSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448312 1356381066 /nfs/dbraw/zinc/38/10/66/1356381066.db2.gz SXMSSSZVPJLRQY-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075448312 1356381070 /nfs/dbraw/zinc/38/10/70/1356381070.db2.gz SXMSSSZVPJLRQY-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075448312 1356381072 /nfs/dbraw/zinc/38/10/72/1356381072.db2.gz SXMSSSZVPJLRQY-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001183256437 1387286437 /nfs/dbraw/zinc/28/64/37/1387286437.db2.gz WSLIIIDJKIVMLJ-DYIICSRESA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099257594 1363717786 /nfs/dbraw/zinc/71/77/86/1363717786.db2.gz IIBLEHWMCWTLBV-IBGZPJMESA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001080998624 1357777461 /nfs/dbraw/zinc/77/74/61/1357777461.db2.gz GVPRMDRYJCHRRO-VQIMIIECSA-N 2 1 345.531 3.235 20 0 EGADMP CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1[NH2+]Cc1ccc(C)cc1 ZINC001323158371 1387304202 /nfs/dbraw/zinc/30/42/02/1387304202.db2.gz ICHTYENILHVTTK-WOJBJXKFSA-N 2 1 345.531 3.054 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001082783198 1358092503 /nfs/dbraw/zinc/09/25/03/1358092503.db2.gz GYKZFBSYULJDNG-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084469743 1358221087 /nfs/dbraw/zinc/22/10/87/1358221087.db2.gz LQWAAZRDYUXLBD-IEBWSBKVSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084469743 1358221088 /nfs/dbraw/zinc/22/10/88/1358221088.db2.gz LQWAAZRDYUXLBD-IEBWSBKVSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084469743 1358221092 /nfs/dbraw/zinc/22/10/92/1358221092.db2.gz LQWAAZRDYUXLBD-IEBWSBKVSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978316 1358358263 /nfs/dbraw/zinc/35/82/63/1358358263.db2.gz JMSIRSVZPREHMI-AABGKKOBSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001084978316 1358358264 /nfs/dbraw/zinc/35/82/64/1358358264.db2.gz JMSIRSVZPREHMI-AABGKKOBSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@@H]21 ZINC001084978316 1358358265 /nfs/dbraw/zinc/35/82/65/1358358265.db2.gz JMSIRSVZPREHMI-AABGKKOBSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCC3=CCCCC3)[C@H]2C1)[NH+](C)C ZINC001085035717 1358372727 /nfs/dbraw/zinc/37/27/27/1358372727.db2.gz NGVQFKZZAIVIOL-AABGKKOBSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085217938 1358436488 /nfs/dbraw/zinc/43/64/88/1358436488.db2.gz YOCRZASUVCJPQB-GUDVDZBRSA-N 2 1 335.536 3.068 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC001085389310 1358485831 /nfs/dbraw/zinc/48/58/31/1358485831.db2.gz CTWBDTXHLPWHSU-AQNXPRMDSA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCCC1)[NH+](C)C ZINC001323339780 1387344514 /nfs/dbraw/zinc/34/45/14/1387344514.db2.gz JHYSTWBNALYJTK-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC2CCCCCC2)CC[N@H+]1C ZINC001085604085 1358627164 /nfs/dbraw/zinc/62/71/64/1358627164.db2.gz WVFYTRNNLLRXPI-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CCCCCC2)CC[NH+]1C ZINC001085604085 1358627168 /nfs/dbraw/zinc/62/71/68/1358627168.db2.gz WVFYTRNNLLRXPI-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CCCCCC2)CC[NH+]1C ZINC001085604085 1358627171 /nfs/dbraw/zinc/62/71/71/1358627171.db2.gz WVFYTRNNLLRXPI-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085622681 1358642141 /nfs/dbraw/zinc/64/21/41/1358642141.db2.gz BEYBKIHNQGAFHW-ZBFHGGJFSA-N 2 1 337.533 3.002 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085622681 1358642142 /nfs/dbraw/zinc/64/21/42/1358642142.db2.gz BEYBKIHNQGAFHW-ZBFHGGJFSA-N 2 1 337.533 3.002 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782623 1358757942 /nfs/dbraw/zinc/75/79/42/1358757942.db2.gz ZDQMUZSUGHULBO-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782623 1358757945 /nfs/dbraw/zinc/75/79/45/1358757945.db2.gz ZDQMUZSUGHULBO-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782623 1358757949 /nfs/dbraw/zinc/75/79/49/1358757949.db2.gz ZDQMUZSUGHULBO-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782623 1358757954 /nfs/dbraw/zinc/75/79/54/1358757954.db2.gz ZDQMUZSUGHULBO-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCC2CCCCC2)CC[N@H+]1C ZINC001085782792 1358758628 /nfs/dbraw/zinc/75/86/28/1358758628.db2.gz DRPFBHGFTKHKRF-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC2CCCCC2)CC[NH+]1C ZINC001085782792 1358758633 /nfs/dbraw/zinc/75/86/33/1358758633.db2.gz DRPFBHGFTKHKRF-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCC2CCCCC2)CC[NH+]1C ZINC001085782792 1358758640 /nfs/dbraw/zinc/75/86/40/1358758640.db2.gz DRPFBHGFTKHKRF-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCCC1 ZINC001085855731 1358823214 /nfs/dbraw/zinc/82/32/14/1358823214.db2.gz IBRFXMRLWMYCJR-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001085855731 1358823215 /nfs/dbraw/zinc/82/32/15/1358823215.db2.gz IBRFXMRLWMYCJR-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001085855731 1358823216 /nfs/dbraw/zinc/82/32/16/1358823216.db2.gz IBRFXMRLWMYCJR-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCCC1 ZINC001085855733 1358823236 /nfs/dbraw/zinc/82/32/36/1358823236.db2.gz IBRFXMRLWMYCJR-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001085855733 1358823237 /nfs/dbraw/zinc/82/32/37/1358823237.db2.gz IBRFXMRLWMYCJR-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001085855733 1358823238 /nfs/dbraw/zinc/82/32/38/1358823238.db2.gz IBRFXMRLWMYCJR-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC=C(C)C ZINC001085919186 1358878191 /nfs/dbraw/zinc/87/81/91/1358878191.db2.gz VLUBMRVSYBVLNK-OALUTQOASA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC=C(C)C ZINC001085919186 1358878192 /nfs/dbraw/zinc/87/81/92/1358878192.db2.gz VLUBMRVSYBVLNK-OALUTQOASA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC=C(C)C ZINC001085919186 1358878194 /nfs/dbraw/zinc/87/81/94/1358878194.db2.gz VLUBMRVSYBVLNK-OALUTQOASA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC=C(C)C ZINC001085919186 1358878198 /nfs/dbraw/zinc/87/81/98/1358878198.db2.gz VLUBMRVSYBVLNK-OALUTQOASA-N 2 1 335.536 3.140 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCCCC3)C2)CC[N@H+]1C ZINC001086177269 1359016106 /nfs/dbraw/zinc/01/61/06/1359016106.db2.gz MYKCRHMGIHYXQG-FRYIKTPZSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086217073 1359031004 /nfs/dbraw/zinc/03/10/04/1359031004.db2.gz MKYPIDAXQDDJBY-ZCNNSNEGSA-N 2 1 349.563 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086382396 1359083547 /nfs/dbraw/zinc/08/35/47/1359083547.db2.gz FQISUIWKNHPFTE-UFYCRDLUSA-N 2 1 347.547 3.236 20 0 EGADMP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001086503038 1359122316 /nfs/dbraw/zinc/12/23/16/1359122316.db2.gz ZSUJKPIZVFKBMQ-LWYYNNOASA-N 2 1 347.547 3.068 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086558650 1359145360 /nfs/dbraw/zinc/14/53/60/1359145360.db2.gz GUSCUJYSEOQHTB-LFGUQSLTSA-N 2 1 343.515 3.106 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086712276 1359190358 /nfs/dbraw/zinc/19/03/58/1359190358.db2.gz YCYALINCWOIVPW-ZCNNSNEGSA-N 2 1 347.547 3.236 20 0 EGADMP CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001086937937 1359260631 /nfs/dbraw/zinc/26/06/31/1359260631.db2.gz DHRQIOWFHLZYDA-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942100 1359263687 /nfs/dbraw/zinc/26/36/87/1359263687.db2.gz IWXPVYMILKULLD-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001087166467 1359312445 /nfs/dbraw/zinc/31/24/45/1359312445.db2.gz PVQUMZUHTOUETG-GGPKGHCWSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001087212834 1359322954 /nfs/dbraw/zinc/32/29/54/1359322954.db2.gz RRXADOCDBJTGRK-GGPKGHCWSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC001323595721 1387400263 /nfs/dbraw/zinc/40/02/63/1387400263.db2.gz CUFKKECFJHGRKA-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CCC1CCCCC1 ZINC001087523220 1359509357 /nfs/dbraw/zinc/50/93/57/1359509357.db2.gz NSHNIRBPIDQELP-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CCC1CCCCC1 ZINC001087523220 1359509359 /nfs/dbraw/zinc/50/93/59/1359509359.db2.gz NSHNIRBPIDQELP-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CCC1CCCCC1 ZINC001087523220 1359509362 /nfs/dbraw/zinc/50/93/62/1359509362.db2.gz NSHNIRBPIDQELP-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CC1CCCCCC1 ZINC001087523083 1359509676 /nfs/dbraw/zinc/50/96/76/1359509676.db2.gz ITPWQXXNXPAPKH-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CC1CCCCCC1 ZINC001087523083 1359509680 /nfs/dbraw/zinc/50/96/80/1359509680.db2.gz ITPWQXXNXPAPKH-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CC1CCCCCC1 ZINC001087523083 1359509682 /nfs/dbraw/zinc/50/96/82/1359509682.db2.gz ITPWQXXNXPAPKH-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CCCC1CCC1 ZINC001087626107 1359562458 /nfs/dbraw/zinc/56/24/58/1359562458.db2.gz KIYQWAQKHQAUSP-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CCCC1CCC1 ZINC001087626107 1359562461 /nfs/dbraw/zinc/56/24/61/1359562461.db2.gz KIYQWAQKHQAUSP-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CCCC1CCC1 ZINC001087626107 1359562464 /nfs/dbraw/zinc/56/24/64/1359562464.db2.gz KIYQWAQKHQAUSP-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CCCC1CCC1 ZINC001087626107 1359562471 /nfs/dbraw/zinc/56/24/71/1359562471.db2.gz KIYQWAQKHQAUSP-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CC1=CCCCC1 ZINC001087699762 1359598917 /nfs/dbraw/zinc/59/89/17/1359598917.db2.gz KHBUVFTZZQLMKO-FRYIKTPZSA-N 2 1 347.547 3.186 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CC1=CCCCC1 ZINC001087699762 1359598919 /nfs/dbraw/zinc/59/89/19/1359598919.db2.gz KHBUVFTZZQLMKO-FRYIKTPZSA-N 2 1 347.547 3.186 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CC1=CCCCC1 ZINC001087699762 1359598923 /nfs/dbraw/zinc/59/89/23/1359598923.db2.gz KHBUVFTZZQLMKO-FRYIKTPZSA-N 2 1 347.547 3.186 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@H+]1CC1CCCCC1 ZINC001087726126 1359614039 /nfs/dbraw/zinc/61/40/39/1359614039.db2.gz RZHKLGANKDXMSJ-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC[NH+]1CC1CCCCC1 ZINC001087726126 1359614042 /nfs/dbraw/zinc/61/40/42/1359614042.db2.gz RZHKLGANKDXMSJ-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC[NH+]1CC1CCCCC1 ZINC001087726126 1359614044 /nfs/dbraw/zinc/61/40/44/1359614044.db2.gz RZHKLGANKDXMSJ-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[N@H+]1CC1CCCC1 ZINC001087780827 1359641349 /nfs/dbraw/zinc/64/13/49/1359641349.db2.gz BJAUYYBVNODGPH-VQTJNVASSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792278 1359647991 /nfs/dbraw/zinc/64/79/91/1359647991.db2.gz WSZCZAZCIFXJGQ-OTWHNJEPSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H]1CC ZINC001087792278 1359647993 /nfs/dbraw/zinc/64/79/93/1359647993.db2.gz WSZCZAZCIFXJGQ-OTWHNJEPSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@H]1CC ZINC001087792278 1359647994 /nfs/dbraw/zinc/64/79/94/1359647994.db2.gz WSZCZAZCIFXJGQ-OTWHNJEPSA-N 2 1 337.552 3.410 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129768 1359768649 /nfs/dbraw/zinc/76/86/49/1359768649.db2.gz DZLLAIILAFEVLB-AABGKKOBSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001088129768 1359768652 /nfs/dbraw/zinc/76/86/52/1359768652.db2.gz DZLLAIILAFEVLB-AABGKKOBSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001088129768 1359768660 /nfs/dbraw/zinc/76/86/60/1359768660.db2.gz DZLLAIILAFEVLB-AABGKKOBSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCCCC[C@H]([NH2+]CC(C)C)C2)C1 ZINC001088367434 1359851774 /nfs/dbraw/zinc/85/17/74/1359851774.db2.gz JXNMUOSVUAGOLR-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CC3CCCC3)C2)CC[N@H+]1C ZINC001088369727 1359853043 /nfs/dbraw/zinc/85/30/43/1359853043.db2.gz QPMRCDHPECVPEP-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)[C@@H]1C ZINC001088970680 1360119268 /nfs/dbraw/zinc/11/92/68/1360119268.db2.gz KQHIHELUCOSATI-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC2)[C@@H]1C ZINC001088970680 1360119269 /nfs/dbraw/zinc/11/92/69/1360119269.db2.gz KQHIHELUCOSATI-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@@H]1C ZINC001088970680 1360119273 /nfs/dbraw/zinc/11/92/73/1360119273.db2.gz KQHIHELUCOSATI-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CC1 ZINC001089181370 1360230995 /nfs/dbraw/zinc/23/09/95/1360230995.db2.gz PMCJGTMNGYSNPA-WMZOPIPTSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CC1 ZINC001089181370 1360230996 /nfs/dbraw/zinc/23/09/96/1360230996.db2.gz PMCJGTMNGYSNPA-WMZOPIPTSA-N 2 1 346.519 3.120 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CC1=CCCCC1)[NH+](C)C ZINC001089228658 1360269680 /nfs/dbraw/zinc/26/96/80/1360269680.db2.gz JAGUTQMHRGUIRR-OALUTQOASA-N 2 1 335.536 3.140 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC=C(C)C)CC(C)(C)C2)CC[N@H+]1C ZINC001089391824 1360392481 /nfs/dbraw/zinc/39/24/81/1360392481.db2.gz PKSPKJQBJIHPPP-GBESFXJTSA-N 2 1 349.563 3.290 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC=C(C)C)CC(C)(C)C2)CC[NH+]1C ZINC001089391824 1360392482 /nfs/dbraw/zinc/39/24/82/1360392482.db2.gz PKSPKJQBJIHPPP-GBESFXJTSA-N 2 1 349.563 3.290 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC=C(C)C)CC(C)(C)C2)CC[NH+]1C ZINC001089391824 1360392483 /nfs/dbraw/zinc/39/24/83/1360392483.db2.gz PKSPKJQBJIHPPP-GBESFXJTSA-N 2 1 349.563 3.290 20 0 EGADMP CC1(C)C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+](CC2CCC2)C1 ZINC001089429587 1360421062 /nfs/dbraw/zinc/42/10/62/1360421062.db2.gz CZMNWVYRKVUSNV-SFHVURJKSA-N 2 1 347.547 3.022 20 0 EGADMP CC1(C)C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+](CCC2CC2)C1 ZINC001089430571 1360422513 /nfs/dbraw/zinc/42/25/13/1360422513.db2.gz OYQZCJQICOOIQY-GOSISDBHSA-N 2 1 347.547 3.022 20 0 EGADMP CC1(C)CC(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC(C)(C)C2)C1 ZINC001089563816 1360510948 /nfs/dbraw/zinc/51/09/48/1360510948.db2.gz UKNYQSVVXCYETH-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1=CCCCC1 ZINC001089617490 1360537802 /nfs/dbraw/zinc/53/78/02/1360537802.db2.gz AFRSGUWOVONVQQ-RBUKOAKNSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1=CCCCC1 ZINC001089617490 1360537804 /nfs/dbraw/zinc/53/78/04/1360537804.db2.gz AFRSGUWOVONVQQ-RBUKOAKNSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1=CCCCC1 ZINC001089617490 1360537805 /nfs/dbraw/zinc/53/78/05/1360537805.db2.gz AFRSGUWOVONVQQ-RBUKOAKNSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001089645854 1360558040 /nfs/dbraw/zinc/55/80/40/1360558040.db2.gz BQYLGONYWPCZGS-MOPGFXCFSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC=C(C)C ZINC001089645854 1360558043 /nfs/dbraw/zinc/55/80/43/1360558043.db2.gz BQYLGONYWPCZGS-MOPGFXCFSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC=C(C)C ZINC001089645854 1360558045 /nfs/dbraw/zinc/55/80/45/1360558045.db2.gz BQYLGONYWPCZGS-MOPGFXCFSA-N 2 1 349.563 3.434 20 0 EGADMP CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001089648906 1360562241 /nfs/dbraw/zinc/56/22/41/1360562241.db2.gz VJVQBUQQASMSLZ-HNNXBMFYSA-N 2 1 337.533 3.050 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001089648906 1360562243 /nfs/dbraw/zinc/56/22/43/1360562243.db2.gz VJVQBUQQASMSLZ-HNNXBMFYSA-N 2 1 337.533 3.050 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2=CCCCC2)C1 ZINC001089731950 1360635626 /nfs/dbraw/zinc/63/56/26/1360635626.db2.gz ITQRRAHRYKKZRR-MOPGFXCFSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC2=CCCCC2)C1 ZINC001089731950 1360635627 /nfs/dbraw/zinc/63/56/27/1360635627.db2.gz ITQRRAHRYKKZRR-MOPGFXCFSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC2=CCCCC2)C1 ZINC001089731950 1360635629 /nfs/dbraw/zinc/63/56/29/1360635629.db2.gz ITQRRAHRYKKZRR-MOPGFXCFSA-N 2 1 347.547 3.045 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](CCCC(C)(C)C)C2)C1 ZINC001323872846 1387485386 /nfs/dbraw/zinc/48/53/86/1387485386.db2.gz LEUUVNDTBRWVPI-HXUWFJFHSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@H+](CCCC(C)(C)C)C2)C1 ZINC001323872846 1387485389 /nfs/dbraw/zinc/48/53/89/1387485389.db2.gz LEUUVNDTBRWVPI-HXUWFJFHSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@@H+](CCCC(C)(C)C)C2)C1 ZINC001323872846 1387485390 /nfs/dbraw/zinc/48/53/90/1387485390.db2.gz LEUUVNDTBRWVPI-HXUWFJFHSA-N 2 1 337.552 3.079 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091666851 1361176221 /nfs/dbraw/zinc/17/62/21/1361176221.db2.gz INZPWWPXCZNUDH-DYXWJJEUSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091666851 1361176224 /nfs/dbraw/zinc/17/62/24/1361176224.db2.gz INZPWWPXCZNUDH-DYXWJJEUSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091666851 1361176226 /nfs/dbraw/zinc/17/62/26/1361176226.db2.gz INZPWWPXCZNUDH-DYXWJJEUSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CC1)CC2 ZINC001094430375 1361799439 /nfs/dbraw/zinc/79/94/39/1361799439.db2.gz NIDGFJUQZUSQEA-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2 ZINC001094430375 1361799440 /nfs/dbraw/zinc/79/94/40/1361799440.db2.gz NIDGFJUQZUSQEA-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2 ZINC001094430375 1361799442 /nfs/dbraw/zinc/79/94/42/1361799442.db2.gz NIDGFJUQZUSQEA-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094528910 1361846209 /nfs/dbraw/zinc/84/62/09/1361846209.db2.gz BKMSRZURNKMTEM-QKNQBKEWSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094528910 1361846212 /nfs/dbraw/zinc/84/62/12/1361846212.db2.gz BKMSRZURNKMTEM-QKNQBKEWSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094528910 1361846214 /nfs/dbraw/zinc/84/62/14/1361846214.db2.gz BKMSRZURNKMTEM-QKNQBKEWSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCC2)CC[N@H+]1C ZINC001095438673 1362140738 /nfs/dbraw/zinc/14/07/38/1362140738.db2.gz BWMPLAZVTGUAFG-XLSIIYIISA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCCC2)CC[NH+]1C ZINC001095438673 1362140741 /nfs/dbraw/zinc/14/07/41/1362140741.db2.gz BWMPLAZVTGUAFG-XLSIIYIISA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCCC2)CC[NH+]1C ZINC001095438673 1362140743 /nfs/dbraw/zinc/14/07/43/1362140743.db2.gz BWMPLAZVTGUAFG-XLSIIYIISA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCCC2)CC1 ZINC001095962701 1362311553 /nfs/dbraw/zinc/31/15/53/1362311553.db2.gz APPHYHDZHQMEOR-AABGKKOBSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCCC2)C1 ZINC001096015858 1362335308 /nfs/dbraw/zinc/33/53/08/1362335308.db2.gz SWBUQJPEWXLBCQ-LMCOJAPRSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCCC2)C1 ZINC001096015858 1362335312 /nfs/dbraw/zinc/33/53/12/1362335312.db2.gz SWBUQJPEWXLBCQ-LMCOJAPRSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCCC2)C1 ZINC001096015858 1362335314 /nfs/dbraw/zinc/33/53/14/1362335314.db2.gz SWBUQJPEWXLBCQ-LMCOJAPRSA-N 2 1 347.547 3.020 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001096104014 1362384654 /nfs/dbraw/zinc/38/46/54/1362384654.db2.gz BXTQHCJNASLONP-FUMNGEBKSA-N 2 1 349.563 3.407 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001096104014 1362384657 /nfs/dbraw/zinc/38/46/57/1362384657.db2.gz BXTQHCJNASLONP-FUMNGEBKSA-N 2 1 349.563 3.407 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001096104014 1362384664 /nfs/dbraw/zinc/38/46/64/1362384664.db2.gz BXTQHCJNASLONP-FUMNGEBKSA-N 2 1 349.563 3.407 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC=C(C)C ZINC001096313601 1362460785 /nfs/dbraw/zinc/46/07/85/1362460785.db2.gz KWXXRJHIJZUYFU-FUMNGEBKSA-N 2 1 347.547 3.329 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(C)C ZINC001096313601 1362460786 /nfs/dbraw/zinc/46/07/86/1362460786.db2.gz KWXXRJHIJZUYFU-FUMNGEBKSA-N 2 1 347.547 3.329 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001096313601 1362460787 /nfs/dbraw/zinc/46/07/87/1362460787.db2.gz KWXXRJHIJZUYFU-FUMNGEBKSA-N 2 1 347.547 3.329 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCCC2)C1 ZINC001096538867 1362564482 /nfs/dbraw/zinc/56/44/82/1362564482.db2.gz PHAZCNFOZABHLM-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCCCC2)C1 ZINC001096538867 1362564486 /nfs/dbraw/zinc/56/44/86/1362564486.db2.gz PHAZCNFOZABHLM-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCCCC2)C1 ZINC001096538867 1362564489 /nfs/dbraw/zinc/56/44/89/1362564489.db2.gz PHAZCNFOZABHLM-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001097064126 1362830228 /nfs/dbraw/zinc/83/02/28/1362830228.db2.gz ZJOWZESELGWZBY-AKHDSKFASA-N 2 1 347.547 3.017 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1 ZINC001097064126 1362830231 /nfs/dbraw/zinc/83/02/31/1362830231.db2.gz ZJOWZESELGWZBY-AKHDSKFASA-N 2 1 347.547 3.017 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1 ZINC001097064126 1362830236 /nfs/dbraw/zinc/83/02/36/1362830236.db2.gz ZJOWZESELGWZBY-AKHDSKFASA-N 2 1 347.547 3.017 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001097219216 1362890315 /nfs/dbraw/zinc/89/03/15/1362890315.db2.gz XABATMRWKGEJLH-MANSERQUSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097219216 1362890319 /nfs/dbraw/zinc/89/03/19/1362890319.db2.gz XABATMRWKGEJLH-MANSERQUSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001097219216 1362890323 /nfs/dbraw/zinc/89/03/23/1362890323.db2.gz XABATMRWKGEJLH-MANSERQUSA-N 2 1 335.536 3.017 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCC2)C1 ZINC001097860768 1363143348 /nfs/dbraw/zinc/14/33/48/1363143348.db2.gz SOWPQPMOTLCRTA-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCC2)C1 ZINC001097860768 1363143351 /nfs/dbraw/zinc/14/33/51/1363143351.db2.gz SOWPQPMOTLCRTA-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCC2)C1 ZINC001097860768 1363143356 /nfs/dbraw/zinc/14/33/56/1363143356.db2.gz SOWPQPMOTLCRTA-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001097958450 1363180323 /nfs/dbraw/zinc/18/03/23/1363180323.db2.gz PXVTWOMMIIBGPS-KURKYZTESA-N 2 1 346.519 3.164 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001097958450 1363180326 /nfs/dbraw/zinc/18/03/26/1363180326.db2.gz PXVTWOMMIIBGPS-KURKYZTESA-N 2 1 346.519 3.164 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001097974901 1363186071 /nfs/dbraw/zinc/18/60/71/1363186071.db2.gz YOLGYICBCWXNIR-YSTOQKLRSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1 ZINC001097974901 1363186073 /nfs/dbraw/zinc/18/60/73/1363186073.db2.gz YOLGYICBCWXNIR-YSTOQKLRSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001097974901 1363186075 /nfs/dbraw/zinc/18/60/75/1363186075.db2.gz YOLGYICBCWXNIR-YSTOQKLRSA-N 2 1 347.547 3.161 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001099075155 1363609506 /nfs/dbraw/zinc/60/95/06/1363609506.db2.gz VINQZFUNNMYEAU-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC ZINC001099080159 1363612159 /nfs/dbraw/zinc/61/21/59/1363612159.db2.gz NFHPZZRHNFZRFH-HZPDHXFCSA-N 2 1 334.508 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099080159 1363612162 /nfs/dbraw/zinc/61/21/62/1363612162.db2.gz NFHPZZRHNFZRFH-HZPDHXFCSA-N 2 1 334.508 3.023 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001099101010 1363622478 /nfs/dbraw/zinc/62/24/78/1363622478.db2.gz DDLSZVJDQGGCGG-LMNJBCLMSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCCC1)C1CC1 ZINC001099106364 1363624642 /nfs/dbraw/zinc/62/46/42/1363624642.db2.gz DVJDXNMJPWLVMH-MOPGFXCFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115767 1363631841 /nfs/dbraw/zinc/63/18/41/1363631841.db2.gz JRFHHWURWGJTMB-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001099115767 1363631844 /nfs/dbraw/zinc/63/18/44/1363631844.db2.gz JRFHHWURWGJTMB-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001099115767 1363631846 /nfs/dbraw/zinc/63/18/46/1363631846.db2.gz JRFHHWURWGJTMB-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099144152 1363653102 /nfs/dbraw/zinc/65/31/02/1363653102.db2.gz ABNPEXBMSMQLOE-GOSISDBHSA-N 2 1 348.535 3.379 20 0 EGADMP CCCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099144152 1363653106 /nfs/dbraw/zinc/65/31/06/1363653106.db2.gz ABNPEXBMSMQLOE-GOSISDBHSA-N 2 1 348.535 3.379 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001099230049 1363703073 /nfs/dbraw/zinc/70/30/73/1363703073.db2.gz PWUNYZXZHFJBCE-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CCC2)C1 ZINC001099240625 1363709256 /nfs/dbraw/zinc/70/92/56/1363709256.db2.gz UDQZKGSLSIGZKZ-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC[NH+](CC(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC2CCC2)C1 ZINC001099240625 1363709260 /nfs/dbraw/zinc/70/92/60/1363709260.db2.gz UDQZKGSLSIGZKZ-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC[NH+](CC(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC2CCC2)C1 ZINC001099240625 1363709263 /nfs/dbraw/zinc/70/92/63/1363709263.db2.gz UDQZKGSLSIGZKZ-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CCC2CC2)CC1 ZINC001099280781 1363729673 /nfs/dbraw/zinc/72/96/73/1363729673.db2.gz LCAVUDMMRYZNQL-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099495762 1363820327 /nfs/dbraw/zinc/82/03/27/1363820327.db2.gz CKBQBUQVTHWSKQ-OKYOBFRVSA-N 2 1 349.563 3.076 20 0 EGADMP CCCCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@H+](C)CC ZINC001099495762 1363820332 /nfs/dbraw/zinc/82/03/32/1363820332.db2.gz CKBQBUQVTHWSKQ-OKYOBFRVSA-N 2 1 349.563 3.076 20 0 EGADMP CCCCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@@H+](C)CC ZINC001099495762 1363820336 /nfs/dbraw/zinc/82/03/36/1363820336.db2.gz CKBQBUQVTHWSKQ-OKYOBFRVSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2CC([NH2+]CC(CC)CC)C2)C1 ZINC001100599332 1364183330 /nfs/dbraw/zinc/18/33/30/1364183330.db2.gz SIANVOSATKVLKL-XBMUEBEBSA-N 2 1 337.552 3.029 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)c1ccccc1 ZINC001324545617 1387665979 /nfs/dbraw/zinc/66/59/79/1387665979.db2.gz RKFVSXPRHPFCSN-RLLQIKCJSA-N 2 1 343.515 3.155 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1ccccc1 ZINC001324545617 1387665981 /nfs/dbraw/zinc/66/59/81/1387665981.db2.gz RKFVSXPRHPFCSN-RLLQIKCJSA-N 2 1 343.515 3.155 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1ccccc1 ZINC001324545617 1387665984 /nfs/dbraw/zinc/66/59/84/1387665984.db2.gz RKFVSXPRHPFCSN-RLLQIKCJSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC001100676938 1364214335 /nfs/dbraw/zinc/21/43/35/1364214335.db2.gz VJILJWCDXRUPFH-KKXNLOMOSA-N 2 1 349.563 3.316 20 0 EGADMP CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001100729725 1364238322 /nfs/dbraw/zinc/23/83/22/1364238322.db2.gz LIEABWRZTWTKMM-LKFCSYKXSA-N 2 1 335.536 3.090 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC([NH2+]C[C@H](C)CC)C1 ZINC001100765165 1364251869 /nfs/dbraw/zinc/25/18/69/1364251869.db2.gz WPSXEEDTYABUHU-WWDZGPRUSA-N 2 1 325.541 3.029 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC=C(C)C)C1 ZINC001100848173 1364289619 /nfs/dbraw/zinc/28/96/19/1364289619.db2.gz AGJDCYKYYHRILJ-CTWPCTMYSA-N 2 1 335.536 3.092 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001100900047 1364321745 /nfs/dbraw/zinc/32/17/45/1364321745.db2.gz NMMJPUXRNKIYNQ-MDCZIUGASA-N 2 1 349.494 3.103 20 0 EGADMP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001101034751 1364383053 /nfs/dbraw/zinc/38/30/53/1364383053.db2.gz IDQNUWATQHQMIE-UUKMXZOPSA-N 2 1 345.531 3.210 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001185306736 1387676837 /nfs/dbraw/zinc/67/68/37/1387676837.db2.gz MQYZFFFEEQMQEB-HKUYNNGSSA-N 2 1 348.535 3.236 20 0 EGADMP CCCCCC[NH2+]C1CC(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001101065122 1364398134 /nfs/dbraw/zinc/39/81/34/1364398134.db2.gz DAFFUSPDJJHIKF-UHFFFAOYSA-N 2 1 345.531 3.183 20 0 EGADMP CCCCCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001101065122 1364398136 /nfs/dbraw/zinc/39/81/36/1364398136.db2.gz DAFFUSPDJJHIKF-UHFFFAOYSA-N 2 1 345.531 3.183 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC(C(C)(C)C[NH2+]CC(C)C)CC1 ZINC001101551721 1364614380 /nfs/dbraw/zinc/61/43/80/1364614380.db2.gz YWNGBKYHNSJUIL-UHFFFAOYSA-N 2 1 339.568 3.227 20 0 EGADMP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001101574178 1364629219 /nfs/dbraw/zinc/62/92/19/1364629219.db2.gz VGXJNYZDOFXFPL-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@@](C)(NC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001324618585 1387701657 /nfs/dbraw/zinc/70/16/57/1387701657.db2.gz BJJWAWOVXHTDLR-DYESRHJHSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CC[C@@](C)(NC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001324618585 1387701661 /nfs/dbraw/zinc/70/16/61/1387701661.db2.gz BJJWAWOVXHTDLR-DYESRHJHSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CC[C@@](C)(NC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001324618585 1387701665 /nfs/dbraw/zinc/70/16/65/1387701665.db2.gz BJJWAWOVXHTDLR-DYESRHJHSA-N 2 1 343.515 3.121 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001102044916 1364821652 /nfs/dbraw/zinc/82/16/52/1364821652.db2.gz KHVNFKONCJRYHD-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001102044916 1364821657 /nfs/dbraw/zinc/82/16/57/1364821657.db2.gz KHVNFKONCJRYHD-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001102044916 1364821661 /nfs/dbraw/zinc/82/16/61/1364821661.db2.gz KHVNFKONCJRYHD-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001102111101 1364863647 /nfs/dbraw/zinc/86/36/47/1364863647.db2.gz VAJHQHDGFDKFDI-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CCC2CC2)C[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001102111101 1364863651 /nfs/dbraw/zinc/86/36/51/1364863651.db2.gz VAJHQHDGFDKFDI-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CCC2CC2)C[C@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001102111101 1364863659 /nfs/dbraw/zinc/86/36/59/1364863659.db2.gz VAJHQHDGFDKFDI-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357737 1365020920 /nfs/dbraw/zinc/02/09/20/1365020920.db2.gz HOVVUILJBRRMFV-QRQLOZEOSA-N 2 1 339.568 3.227 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102434080 1365052466 /nfs/dbraw/zinc/05/24/66/1365052466.db2.gz NNMXNRVNEJXXJP-YKMDAGRBSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520497 1365096659 /nfs/dbraw/zinc/09/66/59/1365096659.db2.gz MWQBQESJJKONIG-IPMKNSEASA-N 2 1 339.568 3.085 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185649 1365425159 /nfs/dbraw/zinc/42/51/59/1365425159.db2.gz JAGLHVRAWSFYCH-NYQZOWANSA-N 2 1 347.547 3.045 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCC[C@@H]1C[NH+](C(C)C)C[C@H]1C)c1ccccc1 ZINC001103634335 1365691915 /nfs/dbraw/zinc/69/19/15/1365691915.db2.gz UARKKHZQQANAKQ-MISYRCLQSA-N 2 1 345.531 3.162 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccccc1 ZINC001103634335 1365691919 /nfs/dbraw/zinc/69/19/19/1365691919.db2.gz UARKKHZQQANAKQ-MISYRCLQSA-N 2 1 345.531 3.162 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](C(C)C)C[C@H]1C)c1ccccc1 ZINC001103634335 1365691924 /nfs/dbraw/zinc/69/19/24/1365691924.db2.gz UARKKHZQQANAKQ-MISYRCLQSA-N 2 1 345.531 3.162 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@@](C)(C[NH2+]CC2CCCCCC2)C1)C1CCC1 ZINC001324740565 1387758691 /nfs/dbraw/zinc/75/86/91/1387758691.db2.gz HTEPVANCWHPWHV-NRFANRHFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724894 1365749753 /nfs/dbraw/zinc/74/97/53/1365749753.db2.gz YNEXKGQUQGUXNI-WAQVGJNASA-N 2 1 346.519 3.012 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724894 1365749756 /nfs/dbraw/zinc/74/97/56/1365749756.db2.gz YNEXKGQUQGUXNI-WAQVGJNASA-N 2 1 346.519 3.012 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CCC1=CCCCC1 ZINC001104000180 1365867545 /nfs/dbraw/zinc/86/75/45/1365867545.db2.gz YBVTYZNUBBAVJI-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1CC[NH2+]CC1CC1 ZINC001104370296 1365991323 /nfs/dbraw/zinc/99/13/23/1365991323.db2.gz UEIVABREMFAGHF-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1)CC(C)(C)C ZINC001185724266 1387785124 /nfs/dbraw/zinc/78/51/24/1387785124.db2.gz WSVHAADZRSZVIP-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP CCCCC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001104742631 1366153257 /nfs/dbraw/zinc/15/32/57/1366153257.db2.gz DOCMVUMIKNVLDA-QZTJIDSGSA-N 2 1 348.535 3.271 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@@H]2[NH+](CCC)CC23CCC3)CC1 ZINC001105396906 1366446067 /nfs/dbraw/zinc/44/60/67/1366446067.db2.gz YRSNTDOCIBLHFF-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@@H]2[N@H+](CCC)CC23CCC3)CC1 ZINC001105396906 1366446069 /nfs/dbraw/zinc/44/60/69/1366446069.db2.gz YRSNTDOCIBLHFF-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@@H]2[N@@H+](CCC)CC23CCC3)CC1 ZINC001105396906 1366446071 /nfs/dbraw/zinc/44/60/71/1366446071.db2.gz YRSNTDOCIBLHFF-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105517931 1366505390 /nfs/dbraw/zinc/50/53/90/1366505390.db2.gz NATVPONFZWIPKU-RTBURBONSA-N 2 1 347.547 3.188 20 0 EGADMP CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001105536630 1366516493 /nfs/dbraw/zinc/51/64/93/1366516493.db2.gz FOIOAQDVVHSXKB-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC(C)C)CCC1 ZINC001105574987 1366539913 /nfs/dbraw/zinc/53/99/13/1366539913.db2.gz OGXTYCINZZWQST-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105575093 1366540168 /nfs/dbraw/zinc/54/01/68/1366540168.db2.gz QSRISOUWJVBYRS-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105578547 1366542084 /nfs/dbraw/zinc/54/20/84/1366542084.db2.gz CONKKOPZNFNKJT-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249416 1366633621 /nfs/dbraw/zinc/63/36/21/1366633621.db2.gz GSECAAZEVYTGPY-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001106340238 1366660594 /nfs/dbraw/zinc/66/05/94/1366660594.db2.gz POVPZRTYOMBTBF-NDZBKKTDSA-N 2 1 337.552 3.147 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001106340239 1366660738 /nfs/dbraw/zinc/66/07/38/1366660738.db2.gz POVPZRTYOMBTBF-QAZIKRLUSA-N 2 1 337.552 3.147 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106716013 1366779621 /nfs/dbraw/zinc/77/96/21/1366779621.db2.gz UGYGDJNGJXFOLZ-QZTJIDSGSA-N 2 1 348.535 3.271 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107435791 1366962919 /nfs/dbraw/zinc/96/29/19/1366962919.db2.gz AFRNOSWNIWZZOM-SFHLNBCPSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107435791 1366962920 /nfs/dbraw/zinc/96/29/20/1366962920.db2.gz AFRNOSWNIWZZOM-SFHLNBCPSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001107435791 1366962923 /nfs/dbraw/zinc/96/29/23/1366962923.db2.gz AFRNOSWNIWZZOM-SFHLNBCPSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107494877 1366994252 /nfs/dbraw/zinc/99/42/52/1366994252.db2.gz DQVPVOFLSDFHMB-DBXWQHBBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001109264198 1367032924 /nfs/dbraw/zinc/03/29/24/1367032924.db2.gz OZYRVYPNMSWUOD-YDZRNGNQSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109264198 1367032916 /nfs/dbraw/zinc/03/29/16/1367032916.db2.gz OZYRVYPNMSWUOD-YDZRNGNQSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109264198 1367032919 /nfs/dbraw/zinc/03/29/19/1367032919.db2.gz OZYRVYPNMSWUOD-YDZRNGNQSA-N 2 1 335.536 3.017 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107554941 1367040778 /nfs/dbraw/zinc/04/07/78/1367040778.db2.gz OPCMVQWKEGCEIH-NLWGTHIKSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632043 1367084316 /nfs/dbraw/zinc/08/43/16/1367084316.db2.gz NJLANNDGWNZHEJ-SKCPSPIOSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107632043 1367084321 /nfs/dbraw/zinc/08/43/21/1367084321.db2.gz NJLANNDGWNZHEJ-SKCPSPIOSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107632043 1367084325 /nfs/dbraw/zinc/08/43/25/1367084325.db2.gz NJLANNDGWNZHEJ-SKCPSPIOSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107632926 1367085131 /nfs/dbraw/zinc/08/51/31/1367085131.db2.gz FWNUUAFOENLASY-JPKVPHHRSA-N 2 1 347.547 3.189 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646597 1367092486 /nfs/dbraw/zinc/09/24/86/1367092486.db2.gz MIWKHVKLOWFHPK-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109399288 1367103961 /nfs/dbraw/zinc/10/39/61/1367103961.db2.gz FIOQIDROPZNHST-RDGPPVDQSA-N 2 1 335.536 3.161 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109399288 1367103965 /nfs/dbraw/zinc/10/39/65/1367103965.db2.gz FIOQIDROPZNHST-RDGPPVDQSA-N 2 1 335.536 3.161 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001109399288 1367103971 /nfs/dbraw/zinc/10/39/71/1367103971.db2.gz FIOQIDROPZNHST-RDGPPVDQSA-N 2 1 335.536 3.161 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2C[N@@H+](CC=C(C)C)C[C@H]21 ZINC001189770713 1367106059 /nfs/dbraw/zinc/10/60/59/1367106059.db2.gz AYCQCPOXJSPEKZ-VQTJNVASSA-N 2 1 349.563 3.388 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C)C1CCC1 ZINC001109410551 1367108886 /nfs/dbraw/zinc/10/88/86/1367108886.db2.gz JCMLCHNEHZEZKW-SQNIBIBYSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C)C1CCC1 ZINC001109410551 1367108890 /nfs/dbraw/zinc/10/88/90/1367108890.db2.gz JCMLCHNEHZEZKW-SQNIBIBYSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C)C1CCC1 ZINC001109410551 1367108896 /nfs/dbraw/zinc/10/88/96/1367108896.db2.gz JCMLCHNEHZEZKW-SQNIBIBYSA-N 2 1 335.536 3.019 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001109464178 1367138034 /nfs/dbraw/zinc/13/80/34/1367138034.db2.gz PEQZUHGXVPYNFF-QYZOEREBSA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001109464178 1367138037 /nfs/dbraw/zinc/13/80/37/1367138037.db2.gz PEQZUHGXVPYNFF-QYZOEREBSA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001109464178 1367138044 /nfs/dbraw/zinc/13/80/44/1367138044.db2.gz PEQZUHGXVPYNFF-QYZOEREBSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565645 1367202083 /nfs/dbraw/zinc/20/20/83/1367202083.db2.gz WXIUAKOBBGXBGX-MHORFTMASA-N 2 1 335.536 3.019 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)Cc2cc(C)ccc2C)C1 ZINC001191020591 1367404362 /nfs/dbraw/zinc/40/43/62/1367404362.db2.gz YLCSFAHSFKWJPP-IBGZPJMESA-N 2 1 345.531 3.066 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)ccc2C)C1 ZINC001191020591 1367404363 /nfs/dbraw/zinc/40/43/63/1367404363.db2.gz YLCSFAHSFKWJPP-IBGZPJMESA-N 2 1 345.531 3.066 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2C)C1 ZINC001191020591 1367404366 /nfs/dbraw/zinc/40/43/66/1367404366.db2.gz YLCSFAHSFKWJPP-IBGZPJMESA-N 2 1 345.531 3.066 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCC(C)(C)C)C1 ZINC001191082358 1367420576 /nfs/dbraw/zinc/42/05/76/1367420576.db2.gz XITPIBMJZGXLPK-MSOLQXFVSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001191082358 1367420580 /nfs/dbraw/zinc/42/05/80/1367420580.db2.gz XITPIBMJZGXLPK-MSOLQXFVSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001191082358 1367420587 /nfs/dbraw/zinc/42/05/87/1367420587.db2.gz XITPIBMJZGXLPK-MSOLQXFVSA-N 2 1 337.552 3.076 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109968002 1367433404 /nfs/dbraw/zinc/43/34/04/1367433404.db2.gz VGOXZDSAECMHPQ-FYQPLNBISA-N 2 1 343.515 3.201 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109968002 1367433407 /nfs/dbraw/zinc/43/34/07/1367433407.db2.gz VGOXZDSAECMHPQ-FYQPLNBISA-N 2 1 343.515 3.201 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001109968002 1367433411 /nfs/dbraw/zinc/43/34/11/1367433411.db2.gz VGOXZDSAECMHPQ-FYQPLNBISA-N 2 1 343.515 3.201 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001109968002 1367433419 /nfs/dbraw/zinc/43/34/19/1367433419.db2.gz VGOXZDSAECMHPQ-FYQPLNBISA-N 2 1 343.515 3.201 20 0 EGADMP Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C3)cs1 ZINC001110007169 1367455641 /nfs/dbraw/zinc/45/56/41/1367455641.db2.gz LDILIFURVNSAKS-SQNIBIBYSA-N 2 1 349.544 3.010 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CC(C)C ZINC001110017554 1367460343 /nfs/dbraw/zinc/46/03/43/1367460343.db2.gz BTDDESISKHJWNP-RDGPPVDQSA-N 2 1 337.552 3.122 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)CC(C)C ZINC001110017554 1367460347 /nfs/dbraw/zinc/46/03/47/1367460347.db2.gz BTDDESISKHJWNP-RDGPPVDQSA-N 2 1 337.552 3.122 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CC(C)C ZINC001110017554 1367460351 /nfs/dbraw/zinc/46/03/51/1367460351.db2.gz BTDDESISKHJWNP-RDGPPVDQSA-N 2 1 337.552 3.122 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191352061 1367482565 /nfs/dbraw/zinc/48/25/65/1367482565.db2.gz PMZLSMVLIKRCRL-VOFKWLDRSA-N 2 1 340.471 3.227 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161551 1367534887 /nfs/dbraw/zinc/53/48/87/1367534887.db2.gz JDDUXVJCOBUNQP-CTKDGEJNSA-N 2 1 347.547 3.185 20 0 EGADMP CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001108733097 1367564562 /nfs/dbraw/zinc/56/45/62/1367564562.db2.gz GEEDNHSIBZKLMS-LNLFQRSKSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(CC)CC)C2)C1 ZINC001191921787 1367639264 /nfs/dbraw/zinc/63/92/64/1367639264.db2.gz FSOWKCNXAGCNBJ-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(CC)CC)C2)C1 ZINC001191921787 1367639273 /nfs/dbraw/zinc/63/92/73/1367639273.db2.gz FSOWKCNXAGCNBJ-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(CC)CC)C2)C1 ZINC001191921787 1367639276 /nfs/dbraw/zinc/63/92/76/1367639276.db2.gz FSOWKCNXAGCNBJ-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH+](C)CCCC3CCC3)C2)C1 ZINC001191922823 1367639421 /nfs/dbraw/zinc/63/94/21/1367639421.db2.gz OPQACRJPRZEZMG-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]([N@H+](C)CCCC3CCC3)C2)C1 ZINC001191922823 1367639424 /nfs/dbraw/zinc/63/94/24/1367639424.db2.gz OPQACRJPRZEZMG-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCCC3CCC3)C2)C1 ZINC001191922823 1367639428 /nfs/dbraw/zinc/63/94/28/1367639428.db2.gz OPQACRJPRZEZMG-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001192171845 1367707705 /nfs/dbraw/zinc/70/77/05/1367707705.db2.gz WZJNPLXLRCFXPE-PXNSSMCTSA-N 2 1 345.531 3.355 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1)[NH+](CC)CC ZINC001192325083 1367752474 /nfs/dbraw/zinc/75/24/74/1367752474.db2.gz JSCKPKMPNYARPU-IAGOWNOFSA-N 2 1 325.541 3.076 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192327020 1367753906 /nfs/dbraw/zinc/75/39/06/1367753906.db2.gz WBXFOBZBPZGGOY-QZTJIDSGSA-N 2 1 325.541 3.220 20 0 EGADMP C[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001192654259 1367844077 /nfs/dbraw/zinc/84/40/77/1367844077.db2.gz DYFTVUJQJFPHTC-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110808407 1368003194 /nfs/dbraw/zinc/00/31/94/1368003194.db2.gz DWJCFBXFBKRJKA-QOPWDLMFSA-N 2 1 338.455 3.026 20 0 EGADMP CC(C)(C)C1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001193438462 1368030301 /nfs/dbraw/zinc/03/03/01/1368030301.db2.gz VLPSSYITADMOTB-NRFANRHFSA-N 2 1 330.516 3.382 20 0 EGADMP CC(C)(C)C1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001193438462 1368030304 /nfs/dbraw/zinc/03/03/04/1368030304.db2.gz VLPSSYITADMOTB-NRFANRHFSA-N 2 1 330.516 3.382 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC001193516933 1368051506 /nfs/dbraw/zinc/05/15/06/1368051506.db2.gz KIPIOASBQVYHOD-GOSISDBHSA-N 2 1 328.504 3.480 20 0 EGADMP CC(C)(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110886324 1368059637 /nfs/dbraw/zinc/05/96/37/1368059637.db2.gz WINPYOIOQFRCPI-KURKYZTESA-N 2 1 349.563 3.409 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193572040 1368065032 /nfs/dbraw/zinc/06/50/32/1368065032.db2.gz ZZGPBRNOWKLVAE-LJQANCHMSA-N 2 1 345.531 3.068 20 0 EGADMP COC(=O)[C@@H]1CCCC[C@H]1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC001193872443 1368136078 /nfs/dbraw/zinc/13/60/78/1368136078.db2.gz NPUVOHCAQZRFSX-FUHWJXTLSA-N 2 1 346.471 3.213 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194080180 1368179078 /nfs/dbraw/zinc/17/90/78/1368179078.db2.gz HNHANOPHUHJISH-LJQANCHMSA-N 2 1 337.552 3.366 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1cccc(C)c1 ZINC001111171586 1368179989 /nfs/dbraw/zinc/17/99/89/1368179989.db2.gz KCKULJPMJCZMGB-NBYUQASBSA-N 2 1 343.515 3.119 20 0 EGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC001325267559 1387925151 /nfs/dbraw/zinc/92/51/51/1387925151.db2.gz LWAKSFALAPJZOF-INIZCTEOSA-N 2 1 326.488 3.313 20 0 EGADMP C[NH2+][C@H](C)CC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC001325267561 1387925263 /nfs/dbraw/zinc/92/52/63/1387925263.db2.gz LWAKSFALAPJZOF-MRXNPFEDSA-N 2 1 326.488 3.313 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226905 1368211961 /nfs/dbraw/zinc/21/19/61/1368211961.db2.gz HURWGMPQZOVQPA-VOFKWLDRSA-N 2 1 335.536 3.142 20 0 EGADMP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274500 1368221967 /nfs/dbraw/zinc/22/19/67/1368221967.db2.gz IROZYGUKDNRMGB-VQTJNVASSA-N 2 1 345.531 3.258 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274500 1368221972 /nfs/dbraw/zinc/22/19/72/1368221972.db2.gz IROZYGUKDNRMGB-VQTJNVASSA-N 2 1 345.531 3.258 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111453941 1368310478 /nfs/dbraw/zinc/31/04/78/1368310478.db2.gz CWKNZPASWVKXAX-QRVBRYPASA-N 2 1 335.536 3.164 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001111454080 1368310555 /nfs/dbraw/zinc/31/05/55/1368310555.db2.gz KIGFZJSQXIRWPT-AQNXPRMDSA-N 2 1 347.547 3.164 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H](CC(C)(C)C)C1)c1ccccc1 ZINC001195214464 1368402235 /nfs/dbraw/zinc/40/22/35/1368402235.db2.gz WVWDZRPISAJWFZ-IEBWSBKVSA-N 2 1 345.531 3.164 20 0 EGADMP Cc1ccc(CC(C)(C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC001195277889 1368413094 /nfs/dbraw/zinc/41/30/94/1368413094.db2.gz GZOBZZPJBJTEOO-NRFANRHFSA-N 2 1 340.511 3.399 20 0 EGADMP Cc1ccc(CC(C)(C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC001195277889 1368413095 /nfs/dbraw/zinc/41/30/95/1368413095.db2.gz GZOBZZPJBJTEOO-NRFANRHFSA-N 2 1 340.511 3.399 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001111740845 1368438176 /nfs/dbraw/zinc/43/81/76/1368438176.db2.gz QOMVXLCFCQHQQJ-ZJOUEHCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001111740845 1368438179 /nfs/dbraw/zinc/43/81/79/1368438179.db2.gz QOMVXLCFCQHQQJ-ZJOUEHCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001111740845 1368438182 /nfs/dbraw/zinc/43/81/82/1368438182.db2.gz QOMVXLCFCQHQQJ-ZJOUEHCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCCC(C)C)C3)CC[N@H+]1C ZINC001111754187 1368444797 /nfs/dbraw/zinc/44/47/97/1368444797.db2.gz QPBRHZAEMGIPIP-HUUJSLGLSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCCC(C)C)C3)CC[NH+]1C ZINC001111754187 1368444800 /nfs/dbraw/zinc/44/48/00/1368444800.db2.gz QPBRHZAEMGIPIP-HUUJSLGLSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCC(C)C)C3)CC[NH+]1C ZINC001111754187 1368444801 /nfs/dbraw/zinc/44/48/01/1368444801.db2.gz QPBRHZAEMGIPIP-HUUJSLGLSA-N 2 1 349.563 3.124 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782541 1368460081 /nfs/dbraw/zinc/46/00/81/1368460081.db2.gz NBVURBDQDWOCPO-NSHGMRRFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001111782541 1368460085 /nfs/dbraw/zinc/46/00/85/1368460085.db2.gz NBVURBDQDWOCPO-NSHGMRRFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001111782541 1368460088 /nfs/dbraw/zinc/46/00/88/1368460088.db2.gz NBVURBDQDWOCPO-NSHGMRRFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821611 1368482447 /nfs/dbraw/zinc/48/24/47/1368482447.db2.gz YZZWNBHWOCWIKN-RXVVDRJESA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785836 1368490183 /nfs/dbraw/zinc/49/01/83/1368490183.db2.gz XNEOLQVVKLHDJV-OVKVCFKUSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001195785836 1368490187 /nfs/dbraw/zinc/49/01/87/1368490187.db2.gz XNEOLQVVKLHDJV-OVKVCFKUSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001195785836 1368490188 /nfs/dbraw/zinc/49/01/88/1368490188.db2.gz XNEOLQVVKLHDJV-OVKVCFKUSA-N 2 1 335.536 3.140 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001196060213 1368541729 /nfs/dbraw/zinc/54/17/29/1368541729.db2.gz OVLQZVLLFVUXKG-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](C[C@@H](C)CC(C)C)CC1 ZINC001196060213 1368541735 /nfs/dbraw/zinc/54/17/35/1368541735.db2.gz OVLQZVLLFVUXKG-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](C[C@@H](C)CC(C)C)CC1 ZINC001196060213 1368541738 /nfs/dbraw/zinc/54/17/38/1368541738.db2.gz OVLQZVLLFVUXKG-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001196060507 1368542440 /nfs/dbraw/zinc/54/24/40/1368542440.db2.gz YMCGQJGJLHDILI-GHOSXJJBSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001196060507 1368542443 /nfs/dbraw/zinc/54/24/43/1368542443.db2.gz YMCGQJGJLHDILI-GHOSXJJBSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001196060507 1368542447 /nfs/dbraw/zinc/54/24/47/1368542447.db2.gz YMCGQJGJLHDILI-GHOSXJJBSA-N 2 1 335.536 3.142 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC001196242176 1368574787 /nfs/dbraw/zinc/57/47/87/1368574787.db2.gz FPNNOAUTHHARDS-ZWKOTPCHSA-N 2 1 334.508 3.051 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC(C)(C)C)C2 ZINC001112009843 1368613284 /nfs/dbraw/zinc/61/32/84/1368613284.db2.gz WNWGPYXWIFSWKH-PXNSSMCTSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC(C)(C)C)C2 ZINC001112009843 1368613290 /nfs/dbraw/zinc/61/32/90/1368613290.db2.gz WNWGPYXWIFSWKH-PXNSSMCTSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC(C)(C)C)C2 ZINC001112009843 1368613292 /nfs/dbraw/zinc/61/32/92/1368613292.db2.gz WNWGPYXWIFSWKH-PXNSSMCTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)c1ccc(C(F)(F)F)cc1 ZINC001197005104 1368729950 /nfs/dbraw/zinc/72/99/50/1368729950.db2.gz YEVRZNBPTCHPQP-DLBZAZTESA-N 2 1 344.421 3.329 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)c1ccc(C(F)(F)F)cc1 ZINC001197005104 1368729953 /nfs/dbraw/zinc/72/99/53/1368729953.db2.gz YEVRZNBPTCHPQP-DLBZAZTESA-N 2 1 344.421 3.329 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]1(C)c1ccc(C(F)(F)F)cc1 ZINC001197005104 1368729955 /nfs/dbraw/zinc/72/99/55/1368729955.db2.gz YEVRZNBPTCHPQP-DLBZAZTESA-N 2 1 344.421 3.329 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]1(C)c1ccc(C(F)(F)F)cc1 ZINC001197005104 1368729960 /nfs/dbraw/zinc/72/99/60/1368729960.db2.gz YEVRZNBPTCHPQP-DLBZAZTESA-N 2 1 344.421 3.329 20 0 EGADMP CC[C@H](C(=O)N1CCC[N@@H+](CC2CC3(CCC3)C2)CC1)[NH+](CC)CC ZINC001197141715 1368753776 /nfs/dbraw/zinc/75/37/76/1368753776.db2.gz NHWMMIAPXJZQIF-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001197188219 1368761624 /nfs/dbraw/zinc/76/16/24/1368761624.db2.gz WGDAUKSTXXFQGQ-GOSISDBHSA-N 2 1 339.568 3.181 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001197396738 1368805418 /nfs/dbraw/zinc/80/54/18/1368805418.db2.gz MFGWQKPLYFIYLZ-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001197396738 1368805422 /nfs/dbraw/zinc/80/54/22/1368805422.db2.gz MFGWQKPLYFIYLZ-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001197396738 1368805428 /nfs/dbraw/zinc/80/54/28/1368805428.db2.gz MFGWQKPLYFIYLZ-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001112440918 1368855518 /nfs/dbraw/zinc/85/55/18/1368855518.db2.gz IRDVZGGTQUVFFZ-UWJYYQICSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC001197793753 1368898209 /nfs/dbraw/zinc/89/82/09/1368898209.db2.gz AHUJVOCKMFNGDF-UHFFFAOYSA-N 2 1 325.541 3.079 20 0 EGADMP CC(C)=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001112531846 1368916914 /nfs/dbraw/zinc/91/69/14/1368916914.db2.gz TWJYJENUQAADNN-RXVVDRJESA-N 2 1 349.563 3.149 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001197899418 1368921398 /nfs/dbraw/zinc/92/13/98/1368921398.db2.gz XZOOXWTYFIBUHE-SFHVURJKSA-N 2 1 331.504 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@@H](C)c2ccccc2)CC1 ZINC001197899418 1368921401 /nfs/dbraw/zinc/92/14/01/1368921401.db2.gz XZOOXWTYFIBUHE-SFHVURJKSA-N 2 1 331.504 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@H+]([C@@H](C)c2ccccc2)CC1 ZINC001197899418 1368921405 /nfs/dbraw/zinc/92/14/05/1368921405.db2.gz XZOOXWTYFIBUHE-SFHVURJKSA-N 2 1 331.504 3.014 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[NH+](CCC2CCCCCC2)CC1 ZINC001197922744 1368924239 /nfs/dbraw/zinc/92/42/39/1368924239.db2.gz SHEPHEQBBPVCEF-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[N@H+](CCC2CCCCCC2)CC1 ZINC001197922744 1368924245 /nfs/dbraw/zinc/92/42/45/1368924245.db2.gz SHEPHEQBBPVCEF-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001198230230 1368985377 /nfs/dbraw/zinc/98/53/77/1368985377.db2.gz YWAPJYSHPZDSHL-UHFFFAOYSA-N 2 1 345.531 3.476 20 0 EGADMP CC(C)(C)CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001112964923 1369112595 /nfs/dbraw/zinc/11/25/95/1369112595.db2.gz CKDJJNSLJWMBCW-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001198968467 1369161216 /nfs/dbraw/zinc/16/12/16/1369161216.db2.gz IXUDOKWRGYFFMV-IKGGRYGDSA-N 2 1 335.561 3.451 20 0 EGADMP CCCCCC[NH+]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001113156779 1369233619 /nfs/dbraw/zinc/23/36/19/1369233619.db2.gz YGPXKYQKLSBXIR-UHFFFAOYSA-N 2 1 337.552 3.366 20 0 EGADMP CC[C@H](C(=O)N1CC[NH+]([C@H](C)c2cccc(C)c2)CC1)[NH+](CC)CC ZINC001113341073 1369359590 /nfs/dbraw/zinc/35/95/90/1369359590.db2.gz JIOGUKZCQOQTQR-UYAOXDASSA-N 2 1 345.531 3.321 20 0 EGADMP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001200577997 1369393863 /nfs/dbraw/zinc/39/38/63/1369393863.db2.gz JNELMWDLDRIYNJ-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C\CC[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001200645046 1369404811 /nfs/dbraw/zinc/40/48/11/1369404811.db2.gz YMVUNWMKDUTGOX-JTGQJZMRSA-N 2 1 346.519 3.334 20 0 EGADMP CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201052385 1369472555 /nfs/dbraw/zinc/47/25/55/1369472555.db2.gz DVDRPEZIRUPNJK-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CC/C=C/CC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001113520009 1369474517 /nfs/dbraw/zinc/47/45/17/1369474517.db2.gz HLXNOLTXQINSFI-XZXOBPBMSA-N 2 1 335.536 3.142 20 0 EGADMP CC/C=C/CC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001113520009 1369474521 /nfs/dbraw/zinc/47/45/21/1369474521.db2.gz HLXNOLTXQINSFI-XZXOBPBMSA-N 2 1 335.536 3.142 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](CC(C)(C)C)CC2 ZINC001201434104 1369544978 /nfs/dbraw/zinc/54/49/78/1369544978.db2.gz BSDQSGPSILHHCY-GOSISDBHSA-N 2 1 331.504 3.183 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](CC(C)(C)C)CC2 ZINC001201434104 1369544980 /nfs/dbraw/zinc/54/49/80/1369544980.db2.gz BSDQSGPSILHHCY-GOSISDBHSA-N 2 1 331.504 3.183 20 0 EGADMP COCC[N@H+]1CCO[C@@H]2C[NH+](C[C@@H](C)CCC=C(C)C)CC[C@@H]2C1 ZINC001201487134 1369555190 /nfs/dbraw/zinc/55/51/90/1369555190.db2.gz OOFOIGRPQYMNQA-XUVXKRRUSA-N 2 1 338.536 3.038 20 0 EGADMP COCC[NH+]1CCO[C@@H]2C[N@H+](C[C@@H](C)CCC=C(C)C)CC[C@@H]2C1 ZINC001201487134 1369555198 /nfs/dbraw/zinc/55/51/98/1369555198.db2.gz OOFOIGRPQYMNQA-XUVXKRRUSA-N 2 1 338.536 3.038 20 0 EGADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](C[C@@H](C)CCC=C(C)C)CC[C@@H]2C1 ZINC001201487134 1369555201 /nfs/dbraw/zinc/55/52/01/1369555201.db2.gz OOFOIGRPQYMNQA-XUVXKRRUSA-N 2 1 338.536 3.038 20 0 EGADMP CCC[C@H](C)C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001201549772 1369573399 /nfs/dbraw/zinc/57/33/99/1369573399.db2.gz CIKCMVUZJXCTBU-IBGZPJMESA-N 2 1 345.531 3.432 20 0 EGADMP C[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1nc(-c2ccccc2)no1 ZINC001201770829 1369621300 /nfs/dbraw/zinc/62/13/00/1369621300.db2.gz YGYCDIUQRWOZQJ-AWEZNQCLSA-N 2 1 337.427 3.091 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([NH2+]CC(CC)CC)CC2)C1 ZINC001202144808 1369700281 /nfs/dbraw/zinc/70/02/81/1369700281.db2.gz JZDOBPSWQYXDNE-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP c1cnn(C[C@@H]2C[C@@H]3C[N@@H+](CC4CCCC4)CC[C@@H]3[NH+]2CC2CC2)c1 ZINC001202159526 1369703490 /nfs/dbraw/zinc/70/34/90/1369703490.db2.gz DPEDRRVLMVIGPT-HKBOAZHASA-N 2 1 342.531 3.248 20 0 EGADMP c1cnn(C[C@@H]2C[C@@H]3C[NH+](CC4CCCC4)CC[C@@H]3[N@@H+]2CC2CC2)c1 ZINC001202159526 1369703492 /nfs/dbraw/zinc/70/34/92/1369703492.db2.gz DPEDRRVLMVIGPT-HKBOAZHASA-N 2 1 342.531 3.248 20 0 EGADMP c1cnn(C[C@@H]2C[C@@H]3C[NH+](CC4CCCC4)CC[C@@H]3[N@H+]2CC2CC2)c1 ZINC001202159526 1369703494 /nfs/dbraw/zinc/70/34/94/1369703494.db2.gz DPEDRRVLMVIGPT-HKBOAZHASA-N 2 1 342.531 3.248 20 0 EGADMP CC(C)(C)CCC[NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001202527087 1369799415 /nfs/dbraw/zinc/79/94/15/1369799415.db2.gz WVYNBOQIIQGPJW-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCOCC2)C3)cc1 ZINC001202598333 1369818337 /nfs/dbraw/zinc/81/83/37/1369818337.db2.gz KOPXPLRKMKZPEQ-NRFANRHFSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCOCC2)C3)cc1 ZINC001202598333 1369818341 /nfs/dbraw/zinc/81/83/41/1369818341.db2.gz KOPXPLRKMKZPEQ-NRFANRHFSA-N 2 1 328.500 3.401 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001186982119 1388035138 /nfs/dbraw/zinc/03/51/38/1388035138.db2.gz XSLYZUGAXHZBKT-MFDDNUIFSA-N 2 1 335.536 3.188 20 0 EGADMP Cc1ccccc1C(=O)N1CCC([NH2+]CC[N@@H+]2CCCC2(C)C)CC1 ZINC001202789356 1369893832 /nfs/dbraw/zinc/89/38/32/1369893832.db2.gz CXEMAXZYNKNKKO-UHFFFAOYSA-N 2 1 343.515 3.064 20 0 EGADMP Cc1ccccc1C(=O)N1CCC([NH2+]CC[N@H+]2CCCC2(C)C)CC1 ZINC001202789356 1369893837 /nfs/dbraw/zinc/89/38/37/1369893837.db2.gz CXEMAXZYNKNKKO-UHFFFAOYSA-N 2 1 343.515 3.064 20 0 EGADMP FC(F)(F)COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC001325742768 1388038402 /nfs/dbraw/zinc/03/84/02/1388038402.db2.gz HEHRSTPBCZGZPC-RRFJBIMHSA-N 2 1 343.393 3.033 20 0 EGADMP CC(C)N1CCOC[C@@]2(CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001203027292 1369959184 /nfs/dbraw/zinc/95/91/84/1369959184.db2.gz YXHVJJPYRUWBLB-JOCHJYFZSA-N 2 1 342.527 3.498 20 0 EGADMP CC(C)N1CCOC[C@@]2(CCC[N@@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001203027292 1369959187 /nfs/dbraw/zinc/95/91/87/1369959187.db2.gz YXHVJJPYRUWBLB-JOCHJYFZSA-N 2 1 342.527 3.498 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001203027292 1369959189 /nfs/dbraw/zinc/95/91/89/1369959189.db2.gz YXHVJJPYRUWBLB-JOCHJYFZSA-N 2 1 342.527 3.498 20 0 EGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001203027292 1369959193 /nfs/dbraw/zinc/95/91/93/1369959193.db2.gz YXHVJJPYRUWBLB-JOCHJYFZSA-N 2 1 342.527 3.498 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001203027292 1369959195 /nfs/dbraw/zinc/95/91/95/1369959195.db2.gz YXHVJJPYRUWBLB-JOCHJYFZSA-N 2 1 342.527 3.498 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001203027292 1369959197 /nfs/dbraw/zinc/95/91/97/1369959197.db2.gz YXHVJJPYRUWBLB-JOCHJYFZSA-N 2 1 342.527 3.498 20 0 EGADMP CCCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203104036 1369984508 /nfs/dbraw/zinc/98/45/08/1369984508.db2.gz PRSWGJQUPQNMGM-ZWKOTPCHSA-N 2 1 349.563 3.457 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001114626692 1369999209 /nfs/dbraw/zinc/99/92/09/1369999209.db2.gz KARHRXUQFJRGCA-RKLDMOOISA-N 2 1 347.547 3.044 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001203313488 1370078061 /nfs/dbraw/zinc/07/80/61/1370078061.db2.gz RMXWWIWFAVMCGD-YLJYHZDGSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](F)C[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001203313833 1370078583 /nfs/dbraw/zinc/07/85/83/1370078583.db2.gz UJLLYGPHWICQLS-HKUYNNGSSA-N 2 1 349.494 3.008 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203425632 1370119892 /nfs/dbraw/zinc/11/98/92/1370119892.db2.gz DBHQIZDQBNSHPM-YQJUVHNHSA-N 2 1 349.563 3.338 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001203443778 1370129184 /nfs/dbraw/zinc/12/91/84/1370129184.db2.gz YYADGZBOYWFICM-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203576490 1370176505 /nfs/dbraw/zinc/17/65/05/1370176505.db2.gz DWVKBJWMZPTTRN-RBUKOAKNSA-N 2 1 349.563 3.316 20 0 EGADMP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203910333 1370310918 /nfs/dbraw/zinc/31/09/18/1370310918.db2.gz GGLNHAAUCITVMI-RRFGBZISSA-N 2 1 343.515 3.226 20 0 EGADMP COc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203955421 1370328842 /nfs/dbraw/zinc/32/88/42/1370328842.db2.gz NVFHIBUNDSAURN-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203955421 1370328845 /nfs/dbraw/zinc/32/88/45/1370328845.db2.gz NVFHIBUNDSAURN-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP COc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203955421 1370328848 /nfs/dbraw/zinc/32/88/48/1370328848.db2.gz NVFHIBUNDSAURN-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203955421 1370328851 /nfs/dbraw/zinc/32/88/51/1370328851.db2.gz NVFHIBUNDSAURN-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@](C)(CO)CC2)cc1 ZINC001204264377 1370426139 /nfs/dbraw/zinc/42/61/39/1370426139.db2.gz UXQBCEZIFCQEDO-FQEVSTJZSA-N 2 1 334.504 3.002 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCc3c(F)cc(Br)cc3C2)CC1 ZINC001204633743 1370533902 /nfs/dbraw/zinc/53/39/02/1370533902.db2.gz YNYYUIFMCQKOEQ-UHFFFAOYSA-N 2 1 341.268 3.288 20 0 EGADMP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001115536699 1370533516 /nfs/dbraw/zinc/53/35/16/1370533516.db2.gz DLDQIJXGRBXMCG-MOPGFXCFSA-N 2 1 347.547 3.070 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536738 1370533684 /nfs/dbraw/zinc/53/36/84/1370533684.db2.gz FXJNEYGACUZTJI-MSOLQXFVSA-N 2 1 335.536 3.070 20 0 EGADMP C[NH+]1CCC(C[N@@H+]2CCc3c(F)cc(Br)cc3C2)CC1 ZINC001204633743 1370533899 /nfs/dbraw/zinc/53/38/99/1370533899.db2.gz YNYYUIFMCQKOEQ-UHFFFAOYSA-N 2 1 341.268 3.288 20 0 EGADMP CCCCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115537140 1370534164 /nfs/dbraw/zinc/53/41/64/1370534164.db2.gz YAJGYAGCEIFNQF-RTBURBONSA-N 2 1 349.563 3.460 20 0 EGADMP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001115543449 1370540211 /nfs/dbraw/zinc/54/02/11/1370540211.db2.gz ISYWIDLNZYRMEI-OSFIAYCASA-N 2 1 335.536 3.092 20 0 EGADMP Oc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1C(F)(F)F ZINC001204742436 1370561957 /nfs/dbraw/zinc/56/19/57/1370561957.db2.gz NYQVJIMSCXONQX-UHFFFAOYSA-N 2 1 328.378 3.377 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](F)CC)CCCCC1 ZINC001115563419 1370563093 /nfs/dbraw/zinc/56/30/93/1370563093.db2.gz UDZKJOQUPHOWSH-IRXDYDNUSA-N 2 1 341.515 3.018 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001115571785 1370574010 /nfs/dbraw/zinc/57/40/10/1370574010.db2.gz OQJCPEDPTUYJIE-SFHVURJKSA-N 2 1 335.536 3.068 20 0 EGADMP CC1CC(C[NH2+]C2(CNC(=O)CC[C@@H]3CCC[N@H+]3C)CCCCC2)C1 ZINC001115579570 1370583132 /nfs/dbraw/zinc/58/31/32/1370583132.db2.gz UVIICVQGWQYNQM-ACBHZAAOSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCCC1 ZINC001115592156 1370592976 /nfs/dbraw/zinc/59/29/76/1370592976.db2.gz WPDHYXHFHHLWJT-OALUTQOASA-N 2 1 349.563 3.458 20 0 EGADMP CC[N@@H+](C[C@@H]1[C@@H](C)CNCC1(F)F)[C@H](C)Cc1ccc(OC)cc1 ZINC001204870652 1370593974 /nfs/dbraw/zinc/59/39/74/1370593974.db2.gz ZGEKHLPDGXSMFD-HDMKZQKVSA-N 2 1 340.458 3.439 20 0 EGADMP CC[N@H+](C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F)[C@H](C)Cc1ccc(OC)cc1 ZINC001204870652 1370593977 /nfs/dbraw/zinc/59/39/77/1370593977.db2.gz ZGEKHLPDGXSMFD-HDMKZQKVSA-N 2 1 340.458 3.439 20 0 EGADMP CC[N@@H+](C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F)[C@H](C)Cc1ccc(OC)cc1 ZINC001204870652 1370593983 /nfs/dbraw/zinc/59/39/83/1370593983.db2.gz ZGEKHLPDGXSMFD-HDMKZQKVSA-N 2 1 340.458 3.439 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115596427 1370597216 /nfs/dbraw/zinc/59/72/16/1370597216.db2.gz GQMZSZLIMZWMNE-IBGZPJMESA-N 2 1 349.563 3.460 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCc2cccc(Br)c2)C1 ZINC001205002052 1370625027 /nfs/dbraw/zinc/62/50/27/1370625027.db2.gz YHIQUFYBGFRFND-OAHLLOKOSA-N 2 1 325.294 3.313 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(-c3ccc(OC)cc3)n2)C1 ZINC001205009604 1370627552 /nfs/dbraw/zinc/62/75/52/1370627552.db2.gz YUBOMTJARJQRFY-INIZCTEOSA-N 2 1 325.456 3.189 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccc(OC)cc3)n2)C1 ZINC001205009604 1370627554 /nfs/dbraw/zinc/62/75/54/1370627554.db2.gz YUBOMTJARJQRFY-INIZCTEOSA-N 2 1 325.456 3.189 20 0 EGADMP CCCCCCOc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205209475 1370681102 /nfs/dbraw/zinc/68/11/02/1370681102.db2.gz JRDPGMHRBIHDRE-HXUWFJFHSA-N 2 1 334.504 3.321 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC001205221173 1370685953 /nfs/dbraw/zinc/68/59/53/1370685953.db2.gz QKDIGQGMTDDQJU-FQEVSTJZSA-N 2 1 328.431 3.168 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2c(Cl)cccc2C(F)(F)F)CC1 ZINC001205230687 1370688565 /nfs/dbraw/zinc/68/85/65/1370688565.db2.gz TYDOYQLOSZXILJ-AWEZNQCLSA-N 2 1 336.785 3.035 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205242591 1370693219 /nfs/dbraw/zinc/69/32/19/1370693219.db2.gz RYYAUUDSEIWWRW-UEKDZROGSA-N 2 1 335.536 3.044 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC001205247180 1370694413 /nfs/dbraw/zinc/69/44/13/1370694413.db2.gz CKYOFNDOZZCXTH-NRFANRHFSA-N 2 1 346.515 3.321 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)CC1 ZINC001205248159 1370694880 /nfs/dbraw/zinc/69/48/80/1370694880.db2.gz NIHLCJGUOLEFIF-IBGZPJMESA-N 2 1 345.874 3.078 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)ccc1OC(=O)C(C)C ZINC001205281865 1370704784 /nfs/dbraw/zinc/70/47/84/1370704784.db2.gz ZAUXZBZYXOTYGE-HXUWFJFHSA-N 2 1 348.487 3.350 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205283743 1370706049 /nfs/dbraw/zinc/70/60/49/1370706049.db2.gz FGSBIHLIRYFKFF-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(OCc3ccccc3)cn2)CC1 ZINC001205296132 1370709997 /nfs/dbraw/zinc/70/99/97/1370709997.db2.gz HPSLYCWKKUHEDK-FQEVSTJZSA-N 2 1 325.456 3.364 20 0 EGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(OCc3ccccc3)cn2)CC1 ZINC001205296132 1370710001 /nfs/dbraw/zinc/71/00/01/1370710001.db2.gz HPSLYCWKKUHEDK-FQEVSTJZSA-N 2 1 325.456 3.364 20 0 EGADMP C[C@H]1CC[N@@H+](CCCc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC001205295648 1370710082 /nfs/dbraw/zinc/71/00/82/1370710082.db2.gz AXGHOHVVFHDRFS-ZFWWWQNUSA-N 2 1 325.294 3.298 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205296303 1370711606 /nfs/dbraw/zinc/71/16/06/1370711606.db2.gz LKQYYXJWRJYZIG-HXUWFJFHSA-N 2 1 325.456 3.461 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC1CCCC1 ZINC001205303445 1370713984 /nfs/dbraw/zinc/71/39/84/1370713984.db2.gz FSKXOBMBYQZFEG-NVXWUHKLSA-N 2 1 332.488 3.433 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205304691 1370714898 /nfs/dbraw/zinc/71/48/98/1370714898.db2.gz OZKHOIFRSKSPEA-WCQYABFASA-N 2 1 332.366 3.011 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205304691 1370714903 /nfs/dbraw/zinc/71/49/03/1370714903.db2.gz OZKHOIFRSKSPEA-WCQYABFASA-N 2 1 332.366 3.011 20 0 EGADMP C[NH2+]CCC[NH+]1CCC(Oc2ccccc2OC(F)(F)F)CC1 ZINC001205340618 1370726482 /nfs/dbraw/zinc/72/64/82/1370726482.db2.gz XKVKTTRQIOCQEF-UHFFFAOYSA-N 2 1 332.366 3.038 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(C[NH2+]CC=C(C)C)CC1 ZINC001205340446 1370727056 /nfs/dbraw/zinc/72/70/56/1370727056.db2.gz ZYLKKTXUABUJCH-QGZVFWFLSA-N 2 1 346.519 3.191 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115760593 1370744746 /nfs/dbraw/zinc/74/47/46/1370744746.db2.gz OFKCESFXFHJKGJ-LJQANCHMSA-N 2 1 349.563 3.458 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCCC1 ZINC001115769031 1370753145 /nfs/dbraw/zinc/75/31/45/1370753145.db2.gz SLJMISLMBZSHCI-MSOLQXFVSA-N 2 1 335.536 3.212 20 0 EGADMP CC(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205462130 1370763266 /nfs/dbraw/zinc/76/32/66/1370763266.db2.gz SQWVKGIAWOTJAI-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001205518743 1370778276 /nfs/dbraw/zinc/77/82/76/1370778276.db2.gz JLOUPPQGEDKAHV-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001205526138 1370781343 /nfs/dbraw/zinc/78/13/43/1370781343.db2.gz GPDFEWQDVPQFNB-SFFCAUCYSA-N 2 1 335.536 3.045 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(Br)cc2F)CC1 ZINC001205545362 1370786472 /nfs/dbraw/zinc/78/64/72/1370786472.db2.gz FCLIEILNGBCVHA-CQSZACIVSA-N 2 1 333.220 3.241 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(Br)cc2F)CC1 ZINC001205545362 1370786476 /nfs/dbraw/zinc/78/64/76/1370786476.db2.gz FCLIEILNGBCVHA-CQSZACIVSA-N 2 1 333.220 3.241 20 0 EGADMP CCn1cc(CN2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC001205557518 1370790418 /nfs/dbraw/zinc/79/04/18/1370790418.db2.gz TUXZBADJHJZRCB-OAQYLSRUSA-N 2 1 338.499 3.391 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]CC2=CCCCC2)CC1 ZINC001205562051 1370791998 /nfs/dbraw/zinc/79/19/98/1370791998.db2.gz OGNJGHCAWWXLKE-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001205570004 1370794565 /nfs/dbraw/zinc/79/45/65/1370794565.db2.gz CIIMEKJORUOBGS-AWEZNQCLSA-N 2 1 338.320 3.377 20 0 EGADMP C[C@@H]1CC[N@@H+](CCc2cccc(Br)c2)CC[C@H]1C[NH3+] ZINC001205601636 1370806782 /nfs/dbraw/zinc/80/67/82/1370806782.db2.gz FMFRUGFSEFNTDB-HIFRSBDPSA-N 2 1 325.294 3.298 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2sc(N3CCCC3)nc2Cl)CC[C@@H]1C[NH3+] ZINC001205627571 1370817404 /nfs/dbraw/zinc/81/74/04/1370817404.db2.gz QVYYELORUHDDBV-QWHCGFSZSA-N 2 1 342.940 3.204 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2sc(N3CCCC3)nc2Cl)CC[C@@H]1C[NH3+] ZINC001205627562 1370817837 /nfs/dbraw/zinc/81/78/37/1370817837.db2.gz QVYYELORUHDDBV-CHWSQXEVSA-N 2 1 342.940 3.204 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(OC)cc1Cl ZINC001205638626 1370822841 /nfs/dbraw/zinc/82/28/41/1370822841.db2.gz QDIDOCULARNJFC-QWHCGFSZSA-N 2 1 326.868 3.164 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CC[C@H]1C[NH3+] ZINC001205651915 1370829294 /nfs/dbraw/zinc/82/92/94/1370829294.db2.gz LQWVJQMBTKWTAG-HOCLYGCPSA-N 2 1 332.879 3.333 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccnc(OCc3ccccc3)c2)CC[C@@H]1C[NH3+] ZINC001205665657 1370835292 /nfs/dbraw/zinc/83/52/92/1370835292.db2.gz SZFIHANXMZRZCC-FXAWDEMLSA-N 2 1 339.483 3.467 20 0 EGADMP COc1ccc(-c2ccccc2)c(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205726214 1370853363 /nfs/dbraw/zinc/85/33/63/1370853363.db2.gz RAKROVQPQMETTE-NRFANRHFSA-N 2 1 340.467 3.038 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccc(F)cc1 ZINC001116289278 1370879388 /nfs/dbraw/zinc/87/93/88/1370879388.db2.gz PDXZGJZSGPTRDK-KRWDZBQOSA-N 2 1 341.474 3.424 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001205913197 1370908348 /nfs/dbraw/zinc/90/83/48/1370908348.db2.gz HMIWYNBVJNEEGZ-RYUDHWBXSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1c(Br)[nH]c2ccccc21 ZINC001205913106 1370908574 /nfs/dbraw/zinc/90/85/74/1370908574.db2.gz HABQAMVFRLOPDN-RYUDHWBXSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c(Br)[nH]c2ccccc21 ZINC001205913106 1370908577 /nfs/dbraw/zinc/90/85/77/1370908577.db2.gz HABQAMVFRLOPDN-RYUDHWBXSA-N 2 1 336.277 3.490 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCCC[C@@H]([NH3+])C3)cc2)cc1 ZINC001205939290 1370918235 /nfs/dbraw/zinc/91/82/35/1370918235.db2.gz PHCBBXJVOFWHIQ-HXUWFJFHSA-N 2 1 338.451 3.453 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]([NH3+])C3)cc2)cc1 ZINC001205939290 1370918238 /nfs/dbraw/zinc/91/82/38/1370918238.db2.gz PHCBBXJVOFWHIQ-HXUWFJFHSA-N 2 1 338.451 3.453 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@]2(CC)CC[NH2+]C2)c1 ZINC001326027118 1388102373 /nfs/dbraw/zinc/10/23/73/1388102373.db2.gz NDKUHUUCWHNDRD-OAQYLSRUSA-N 2 1 345.531 3.315 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n(C)n1 ZINC001205940982 1370919180 /nfs/dbraw/zinc/91/91/80/1370919180.db2.gz GVCZHCKWPRIHNW-VQTJNVASSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n(C)n1 ZINC001205940982 1370919182 /nfs/dbraw/zinc/91/91/82/1370919182.db2.gz GVCZHCKWPRIHNW-VQTJNVASSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n(C)n1 ZINC001205940982 1370919186 /nfs/dbraw/zinc/91/91/86/1370919186.db2.gz GVCZHCKWPRIHNW-VQTJNVASSA-N 2 1 338.499 3.073 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1OCC1CC1 ZINC001206003554 1370935623 /nfs/dbraw/zinc/93/56/23/1370935623.db2.gz JRKIFXFNGPZFJG-CRAIPNDOSA-N 2 1 332.488 3.291 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(Oc3ncccn3)cc2)CCC[C@@H]1C[NH3+] ZINC001206005880 1370936291 /nfs/dbraw/zinc/93/62/91/1370936291.db2.gz ZDOKBKVDZIQKTF-NVXWUHKLSA-N 2 1 326.444 3.076 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206012824 1370937888 /nfs/dbraw/zinc/93/78/88/1370937888.db2.gz ODGLXNSLSJKGAX-LSDHHAIUSA-N 2 1 332.879 3.333 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c(C(F)(F)F)nc3sccn23)CCC[C@@H]1C[NH3+] ZINC001206013510 1370938447 /nfs/dbraw/zinc/93/84/47/1370938447.db2.gz RTQGSVKOBZXJOJ-WDEREUQCSA-N 2 1 346.422 3.221 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(O)cc2OC(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001206025075 1370942175 /nfs/dbraw/zinc/94/21/75/1370942175.db2.gz MBSVAZJUZBXZMU-NWDGAFQWSA-N 2 1 332.366 3.098 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CCC[C@H]1C[NH3+] ZINC001206026246 1370942547 /nfs/dbraw/zinc/94/25/47/1370942547.db2.gz RCAVIFBHFIKSQJ-HOCLYGCPSA-N 2 1 332.879 3.333 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc2c1NC(C)(C)C=C2 ZINC001206211429 1370993927 /nfs/dbraw/zinc/99/39/27/1370993927.db2.gz OLAWQLMSNIGDKR-HOTGVXAUSA-N 2 1 333.451 3.174 20 0 EGADMP COC(=O)c1cccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001116881640 1370994649 /nfs/dbraw/zinc/99/46/49/1370994649.db2.gz WGUMMFYFWCAXMT-LJQANCHMSA-N 2 1 338.451 3.085 20 0 EGADMP CCOC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206311481 1371018194 /nfs/dbraw/zinc/01/81/94/1371018194.db2.gz PSNSBNRADJIDNV-HXUWFJFHSA-N 2 1 343.471 3.296 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Br)nc2)C1 ZINC001117632813 1371056675 /nfs/dbraw/zinc/05/66/75/1371056675.db2.gz IJMXPNFBTYWNFL-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Br)nc2)C1 ZINC001117632813 1371056680 /nfs/dbraw/zinc/05/66/80/1371056680.db2.gz IJMXPNFBTYWNFL-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP CC(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206487893 1371070344 /nfs/dbraw/zinc/07/03/44/1371070344.db2.gz MIKNMKMBZYZSGY-LJQANCHMSA-N 2 1 337.552 3.124 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc1OC(=O)C(C)C ZINC001206566351 1371095201 /nfs/dbraw/zinc/09/52/01/1371095201.db2.gz ZZWZZYAOBGLVSQ-FQEVSTJZSA-N 2 1 348.487 3.208 20 0 EGADMP COc1ccc(-c2c(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)cnn2C)cc1 ZINC001206565419 1371095356 /nfs/dbraw/zinc/09/53/56/1371095356.db2.gz SSHAMTXTHKWXTJ-FQEVSTJZSA-N 2 1 342.487 3.047 20 0 EGADMP COc1ccc2cc(C[N@@H+]3CCCC[C@H](C[NH3+])C3)c(Cl)nc2c1 ZINC001206622856 1371111507 /nfs/dbraw/zinc/11/15/07/1371111507.db2.gz HWINFHOQLMIFSR-CYBMUJFWSA-N 2 1 333.863 3.458 20 0 EGADMP COc1ccc2cc(C[N@H+]3CCCC[C@H](C[NH3+])C3)c(Cl)nc2c1 ZINC001206622856 1371111508 /nfs/dbraw/zinc/11/15/08/1371111508.db2.gz HWINFHOQLMIFSR-CYBMUJFWSA-N 2 1 333.863 3.458 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3OCC[NH+]2CCCCC2)cc1 ZINC001206709375 1371141777 /nfs/dbraw/zinc/14/17/77/1371141777.db2.gz IQXCVNSMXZPCND-AERCQKQUSA-N 2 1 328.500 3.400 20 0 EGADMP CC1(C[NH3+])C[NH+](Cc2ccccc2-c2cccc(Br)n2)C1 ZINC001206723740 1371145474 /nfs/dbraw/zinc/14/54/74/1371145474.db2.gz VGAHAYFVPZOZDC-UHFFFAOYSA-N 2 1 346.272 3.292 20 0 EGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+](C1CCC1)C1CCOCC1 ZINC001206735552 1371148839 /nfs/dbraw/zinc/14/88/39/1371148839.db2.gz VIDSWHNYUMOYBJ-UHFFFAOYSA-N 2 1 344.499 3.052 20 0 EGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001206735552 1371148844 /nfs/dbraw/zinc/14/88/44/1371148844.db2.gz VIDSWHNYUMOYBJ-UHFFFAOYSA-N 2 1 344.499 3.052 20 0 EGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)ccc1OC(F)(F)F ZINC001206810812 1371176578 /nfs/dbraw/zinc/17/65/78/1371176578.db2.gz PSTWDNDPGAHGIK-AAEUAGOBSA-N 2 1 332.366 3.153 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001206857408 1371190843 /nfs/dbraw/zinc/19/08/43/1371190843.db2.gz LXKNQVKVNWRWFW-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001206857084 1371191260 /nfs/dbraw/zinc/19/12/60/1371191260.db2.gz HPYPGGZOJARIJH-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001206857082 1371191467 /nfs/dbraw/zinc/19/14/67/1371191467.db2.gz HPYPGGZOJARIJH-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001206857407 1371191493 /nfs/dbraw/zinc/19/14/93/1371191493.db2.gz LXKNQVKVNWRWFW-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001206952463 1371243873 /nfs/dbraw/zinc/24/38/73/1371243873.db2.gz PSZYHGMJSYRKKC-PXDRNWIDSA-N 2 1 349.563 3.435 20 0 EGADMP C[N@@H+](Cc1ccccc1F)C1CCN(Cc2ccc[nH]c2=O)CC1 ZINC001207008042 1371264267 /nfs/dbraw/zinc/26/42/67/1371264267.db2.gz AQGWNLSAUJWARZ-UHFFFAOYSA-N 2 1 329.419 3.023 20 0 EGADMP C[N@H+](Cc1ccc[nH]c1=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207008933 1371266183 /nfs/dbraw/zinc/26/61/83/1371266183.db2.gz NZRIWRVJGNQPFS-UHFFFAOYSA-N 2 1 325.456 3.131 20 0 EGADMP CN(C)c1ncc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)s1 ZINC001119031300 1371266507 /nfs/dbraw/zinc/26/65/07/1371266507.db2.gz LAIWCLHUOFDAMS-PBHICJAKSA-N 2 1 336.549 3.329 20 0 EGADMP CN(C)c1ncc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)s1 ZINC001119031302 1371266609 /nfs/dbraw/zinc/26/66/09/1371266609.db2.gz LAIWCLHUOFDAMS-WMLDXEAASA-N 2 1 336.549 3.329 20 0 EGADMP COC(C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(C)cc3)C2)CC1)OC ZINC001207253722 1371341727 /nfs/dbraw/zinc/34/17/27/1371341727.db2.gz SVICBOUMZDPQAI-UHFFFAOYSA-N 2 1 346.515 3.292 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC[C@@]1(C)O ZINC001207287645 1371351029 /nfs/dbraw/zinc/35/10/29/1371351029.db2.gz VJWKWYBOBKNBCV-WIYYLYMNSA-N 2 1 330.516 3.382 20 0 EGADMP c1ccc(C[NH+]2CCC(CN3CCC([NH+]4CCCC4)CC3)CC2)cc1 ZINC001207286732 1371351109 /nfs/dbraw/zinc/35/11/09/1371351109.db2.gz LAGCFNYAIMVHIK-UHFFFAOYSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+](C)CC(C)(C)CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001207288204 1371351785 /nfs/dbraw/zinc/35/17/85/1371351785.db2.gz JIXFKIXRCRBXNO-WOJBJXKFSA-N 3 1 329.532 3.028 20 0 EGADMP FC1(F)CC[N@@H+](CC2CC[NH2+]CC2)C[C@@]12CCN(c1ccccc1)C2 ZINC001207435873 1371395193 /nfs/dbraw/zinc/39/51/93/1371395193.db2.gz ZAGVZWWBURICFN-LJQANCHMSA-N 2 1 349.469 3.224 20 0 EGADMP COc1ccccc1CC[N@@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001207454391 1371399978 /nfs/dbraw/zinc/39/99/78/1371399978.db2.gz JUELZZZAPVLLFL-HDICACEKSA-N 2 1 342.508 3.363 20 0 EGADMP COc1ccccc1CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001207454391 1371399986 /nfs/dbraw/zinc/39/99/86/1371399986.db2.gz JUELZZZAPVLLFL-HDICACEKSA-N 2 1 342.508 3.363 20 0 EGADMP COc1ccccc1CC[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001207454391 1371399987 /nfs/dbraw/zinc/39/99/87/1371399987.db2.gz JUELZZZAPVLLFL-HDICACEKSA-N 2 1 342.508 3.363 20 0 EGADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C[C@H]2CCCOC2)C3)cc1 ZINC001207469374 1371404270 /nfs/dbraw/zinc/40/42/70/1371404270.db2.gz KBQURZXRJJHUBE-NHCUHLMSSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C[C@H]2CCCOC2)C3)cc1 ZINC001207469374 1371404273 /nfs/dbraw/zinc/40/42/73/1371404273.db2.gz KBQURZXRJJHUBE-NHCUHLMSSA-N 2 1 328.500 3.401 20 0 EGADMP COC[C@H](C)[N@@H+](CCC1CC[NH+](C)CC1)Cc1cccc(OC)c1 ZINC001207486926 1371410558 /nfs/dbraw/zinc/41/05/58/1371410558.db2.gz OXWFXUHFDJRXKU-KRWDZBQOSA-N 2 1 334.504 3.264 20 0 EGADMP COC(=O)C[C@H](C)[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC001207487945 1371412049 /nfs/dbraw/zinc/41/20/49/1371412049.db2.gz ZLCLXNRDSRRRFO-KRWDZBQOSA-N 2 1 332.488 3.172 20 0 EGADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccccc1F)C2 ZINC001207497666 1371415435 /nfs/dbraw/zinc/41/54/35/1371415435.db2.gz CKHCAOYLCBCELR-CTNGQTDRSA-N 2 1 346.490 3.049 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccccc1F)C2 ZINC001207497666 1371415436 /nfs/dbraw/zinc/41/54/36/1371415436.db2.gz CKHCAOYLCBCELR-CTNGQTDRSA-N 2 1 346.490 3.049 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCc1ccccc1F)C2 ZINC001207497666 1371415437 /nfs/dbraw/zinc/41/54/37/1371415437.db2.gz CKHCAOYLCBCELR-CTNGQTDRSA-N 2 1 346.490 3.049 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCc1ccccc1F)C2 ZINC001207497666 1371415439 /nfs/dbraw/zinc/41/54/39/1371415439.db2.gz CKHCAOYLCBCELR-CTNGQTDRSA-N 2 1 346.490 3.049 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)C[C@H]2C1 ZINC001119990948 1371444930 /nfs/dbraw/zinc/44/49/30/1371444930.db2.gz ZZNUZMJLCRXHHL-LZLYRXPVSA-N 2 1 325.456 3.103 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207616816 1371453197 /nfs/dbraw/zinc/45/31/97/1371453197.db2.gz FXUXDQPMMUMDAZ-QRTFGMIHSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001207616816 1371453198 /nfs/dbraw/zinc/45/31/98/1371453198.db2.gz FXUXDQPMMUMDAZ-QRTFGMIHSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001207616816 1371453199 /nfs/dbraw/zinc/45/31/99/1371453199.db2.gz FXUXDQPMMUMDAZ-QRTFGMIHSA-N 2 1 335.536 3.044 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)c2ccccc2C)C[C@H]1C ZINC001207758033 1371495542 /nfs/dbraw/zinc/49/55/42/1371495542.db2.gz SCDRQRPJRFGVRG-ZIFCJYIRSA-N 2 1 345.531 3.223 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001120189649 1371503148 /nfs/dbraw/zinc/50/31/48/1371503148.db2.gz MXUCQMBZBKLVCZ-HDICACEKSA-N 2 1 349.563 3.458 20 0 EGADMP CC1CC(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001207789651 1371505504 /nfs/dbraw/zinc/50/55/04/1371505504.db2.gz CRMVVPZKUDHXER-MPLMCADHSA-N 2 1 349.563 3.122 20 0 EGADMP CC1CC(C[NH+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001207789651 1371505508 /nfs/dbraw/zinc/50/55/08/1371505508.db2.gz CRMVVPZKUDHXER-MPLMCADHSA-N 2 1 349.563 3.122 20 0 EGADMP CC1CC(C[NH+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001207789651 1371505512 /nfs/dbraw/zinc/50/55/12/1371505512.db2.gz CRMVVPZKUDHXER-MPLMCADHSA-N 2 1 349.563 3.122 20 0 EGADMP CC1(C)OC[C@H](C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)O1 ZINC001207932862 1371542156 /nfs/dbraw/zinc/54/21/56/1371542156.db2.gz QDPARASSHKXKGQ-PZJWPPBQSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@H](C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)O1 ZINC001207932862 1371542159 /nfs/dbraw/zinc/54/21/59/1371542159.db2.gz QDPARASSHKXKGQ-PZJWPPBQSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@H](C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)O1 ZINC001207932862 1371542160 /nfs/dbraw/zinc/54/21/60/1371542160.db2.gz QDPARASSHKXKGQ-PZJWPPBQSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@H](C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)O1 ZINC001207932862 1371542164 /nfs/dbraw/zinc/54/21/64/1371542164.db2.gz QDPARASSHKXKGQ-PZJWPPBQSA-N 2 1 344.499 3.126 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H]4CCCCO4)CC[C@@H]3C2)cc1 ZINC001207963315 1371552256 /nfs/dbraw/zinc/55/22/56/1371552256.db2.gz FVCLGXMKDAOHPN-NJDAHSKKSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCCO4)CC[C@@H]3C2)cc1 ZINC001207963315 1371552260 /nfs/dbraw/zinc/55/22/60/1371552260.db2.gz FVCLGXMKDAOHPN-NJDAHSKKSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCCO4)CC[C@@H]3C2)cc1 ZINC001207963315 1371552265 /nfs/dbraw/zinc/55/22/65/1371552265.db2.gz FVCLGXMKDAOHPN-NJDAHSKKSA-N 2 1 328.500 3.400 20 0 EGADMP CC1(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)CCOCC1 ZINC001207968034 1371554016 /nfs/dbraw/zinc/55/40/16/1371554016.db2.gz AUVCUBPLNVQVAN-UHFFFAOYSA-N 2 1 343.515 3.186 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120449446 1371581306 /nfs/dbraw/zinc/58/13/06/1371581306.db2.gz MGNUBZIPHHQIPE-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001120449446 1371581311 /nfs/dbraw/zinc/58/13/11/1371581311.db2.gz MGNUBZIPHHQIPE-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001120449446 1371581312 /nfs/dbraw/zinc/58/13/12/1371581312.db2.gz MGNUBZIPHHQIPE-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120468713 1371587152 /nfs/dbraw/zinc/58/71/52/1371587152.db2.gz FYRPBKVLZBNYMQ-NHQAVIFJSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120468713 1371587157 /nfs/dbraw/zinc/58/71/57/1371587157.db2.gz FYRPBKVLZBNYMQ-NHQAVIFJSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001208073203 1371588398 /nfs/dbraw/zinc/58/83/98/1371588398.db2.gz FEOWXRTWPWVGSE-HOHRJFBBSA-N 2 1 335.536 3.044 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](CCCn1cccn1)CC2 ZINC001208077337 1371589271 /nfs/dbraw/zinc/58/92/71/1371589271.db2.gz ZGAKAXJPQKXKCE-LJQANCHMSA-N 2 1 342.487 3.243 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208091902 1371593775 /nfs/dbraw/zinc/59/37/75/1371593775.db2.gz GOENCWYHSUNQDZ-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCOC(=O)[C@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)C[C@H]2CCCC[C@@H]12 ZINC001208108944 1371596746 /nfs/dbraw/zinc/59/67/46/1371596746.db2.gz HDNRUPJNCOZNLU-KURKYZTESA-N 2 1 336.520 3.020 20 0 EGADMP CS[C@@H](C)CC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001208142267 1371607722 /nfs/dbraw/zinc/60/77/22/1371607722.db2.gz DVZMVYFNDOIBSU-SFHVURJKSA-N 2 1 348.556 3.495 20 0 EGADMP C[NH+](C)CC1(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)CCCC1 ZINC001208188268 1371625475 /nfs/dbraw/zinc/62/54/75/1371625475.db2.gz UZOYBQUYYGZGHS-HNNXBMFYSA-N 2 1 336.442 3.134 20 0 EGADMP COc1ccc(CC[N@@H+](C[C@H](C)O)CC2(C[NH+](C)C)CCCC2)cc1 ZINC001208185256 1371625779 /nfs/dbraw/zinc/62/57/79/1371625779.db2.gz ZCAWWPQXEMOLAS-SFHVURJKSA-N 2 1 348.531 3.043 20 0 EGADMP Cc1cccnc1O[C@H]1CCC[N@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208187796 1371627876 /nfs/dbraw/zinc/62/78/76/1371627876.db2.gz AEBXKIOMVQOLQF-SFHVURJKSA-N 2 1 331.504 3.355 20 0 EGADMP CCC[NH+](CCC)CCN1CC[NH+](CCc2cccc(F)c2)CC1 ZINC001208199619 1371639141 /nfs/dbraw/zinc/63/91/41/1371639141.db2.gz UWSXCNMIMUMYSI-UHFFFAOYSA-N 2 1 335.511 3.108 20 0 EGADMP C[N@H+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001208231950 1371668255 /nfs/dbraw/zinc/66/82/55/1371668255.db2.gz BOMFOUCNHDILJU-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001208231950 1371668256 /nfs/dbraw/zinc/66/82/56/1371668256.db2.gz BOMFOUCNHDILJU-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208330625 1371719149 /nfs/dbraw/zinc/71/91/49/1371719149.db2.gz AUDKSNCLOZHWJK-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208330955 1371720667 /nfs/dbraw/zinc/72/06/67/1371720667.db2.gz IDZKILKMQOKXPJ-QUOWSDGJSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208585304 1371827823 /nfs/dbraw/zinc/82/78/23/1371827823.db2.gz KIIUUZKSCHOXSZ-OAQYLSRUSA-N 2 1 329.532 3.315 20 0 EGADMP CC[N@@H+](C)C1CCN(C[C@@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC001208594314 1371832604 /nfs/dbraw/zinc/83/26/04/1371832604.db2.gz MSCHJUPMRUKUSN-NRFANRHFSA-N 2 1 329.532 3.457 20 0 EGADMP CC[NH+](C)C1CCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208594314 1371832608 /nfs/dbraw/zinc/83/26/08/1371832608.db2.gz MSCHJUPMRUKUSN-NRFANRHFSA-N 2 1 329.532 3.457 20 0 EGADMP CC[NH+](C)C1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208594314 1371832612 /nfs/dbraw/zinc/83/26/12/1371832612.db2.gz MSCHJUPMRUKUSN-NRFANRHFSA-N 2 1 329.532 3.457 20 0 EGADMP Cn1c2ccccc2nc1C1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208609375 1371839703 /nfs/dbraw/zinc/83/97/03/1371839703.db2.gz JIOIFYLQKRJMAO-MRXNPFEDSA-N 2 1 326.488 3.095 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCc3ccc(OC(F)(F)F)cc3C2)C1 ZINC001208613865 1371840695 /nfs/dbraw/zinc/84/06/95/1371840695.db2.gz ADPHZQJXIYYWKL-ZDUSSCGKSA-N 2 1 328.378 3.285 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2CCc3ccc(OC(F)(F)F)cc3C2)C1 ZINC001208613865 1371840696 /nfs/dbraw/zinc/84/06/96/1371840696.db2.gz ADPHZQJXIYYWKL-ZDUSSCGKSA-N 2 1 328.378 3.285 20 0 EGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCc3ccc(OC(F)(F)F)cc3C2)C1 ZINC001208613865 1371840699 /nfs/dbraw/zinc/84/06/99/1371840699.db2.gz ADPHZQJXIYYWKL-ZDUSSCGKSA-N 2 1 328.378 3.285 20 0 EGADMP C[NH+]1CCC[C@H](C[N@H+]2CCc3ccc(OC(F)(F)F)cc3C2)C1 ZINC001208613865 1371840700 /nfs/dbraw/zinc/84/07/00/1371840700.db2.gz ADPHZQJXIYYWKL-ZDUSSCGKSA-N 2 1 328.378 3.285 20 0 EGADMP C[N@H+]1CCC[C@H](CN2CCC[C@H]([NH+](Cc3ccccc3)C3CC3)C2)C1 ZINC001208615210 1371841311 /nfs/dbraw/zinc/84/13/11/1371841311.db2.gz HELNKZCVTBKODZ-UNMCSNQZSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+]1CCC[C@H](CN2CCC[C@H]([N@H+](Cc3ccccc3)C3CC3)C2)C1 ZINC001208615210 1371841318 /nfs/dbraw/zinc/84/13/18/1371841318.db2.gz HELNKZCVTBKODZ-UNMCSNQZSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+]1CCC[C@H](CN2CCC[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2)C1 ZINC001208615210 1371841323 /nfs/dbraw/zinc/84/13/23/1371841323.db2.gz HELNKZCVTBKODZ-UNMCSNQZSA-N 2 1 341.543 3.457 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208615661 1371842189 /nfs/dbraw/zinc/84/21/89/1371842189.db2.gz IMCMIYQCNVHINT-YZGWKJHDSA-N 2 1 344.499 3.140 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208615661 1371842193 /nfs/dbraw/zinc/84/21/93/1371842193.db2.gz IMCMIYQCNVHINT-YZGWKJHDSA-N 2 1 344.499 3.140 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208615661 1371842200 /nfs/dbraw/zinc/84/22/00/1371842200.db2.gz IMCMIYQCNVHINT-YZGWKJHDSA-N 2 1 344.499 3.140 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@H](C[N@H+](CC)C[C@@H]2CCC[NH+](C)C2)CC1 ZINC001208615947 1371843540 /nfs/dbraw/zinc/84/35/40/1371843540.db2.gz JBHHJGLZBHZHCB-GUDVDZBRSA-N 2 1 338.536 3.410 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)C[C@@H]2CCC[NH+](C)C2)CC1 ZINC001208615947 1371843561 /nfs/dbraw/zinc/84/35/61/1371843561.db2.gz JBHHJGLZBHZHCB-GUDVDZBRSA-N 2 1 338.536 3.410 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@H](C[NH+](CC)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208615947 1371843565 /nfs/dbraw/zinc/84/35/65/1371843565.db2.gz JBHHJGLZBHZHCB-GUDVDZBRSA-N 2 1 338.536 3.410 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@H](C[NH+](CC)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208615947 1371843569 /nfs/dbraw/zinc/84/35/69/1371843569.db2.gz JBHHJGLZBHZHCB-GUDVDZBRSA-N 2 1 338.536 3.410 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208647239 1371850827 /nfs/dbraw/zinc/85/08/27/1371850827.db2.gz ZHTFPRSAIMYZEU-IAGOWNOFSA-N 2 1 339.568 3.227 20 0 EGADMP C[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001208647239 1371850832 /nfs/dbraw/zinc/85/08/32/1371850832.db2.gz ZHTFPRSAIMYZEU-IAGOWNOFSA-N 2 1 339.568 3.227 20 0 EGADMP C[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001208647239 1371850838 /nfs/dbraw/zinc/85/08/38/1371850838.db2.gz ZHTFPRSAIMYZEU-IAGOWNOFSA-N 2 1 339.568 3.227 20 0 EGADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](CCC1CC1)CC2 ZINC001208680856 1371859242 /nfs/dbraw/zinc/85/92/42/1371859242.db2.gz ITLZSVMPOQRDFY-QGZVFWFLSA-N 2 1 349.544 3.246 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121234332 1371902981 /nfs/dbraw/zinc/90/29/81/1371902981.db2.gz YHYJORSOOARWBN-MBEFBZSESA-N 2 1 349.563 3.457 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CCC([NH+]4CCCC4)CC3)C2)cc1 ZINC001208928793 1371948960 /nfs/dbraw/zinc/94/89/60/1371948960.db2.gz LFNZZJMNWDAUEC-OAQYLSRUSA-N 2 1 341.543 3.459 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209007361 1371973378 /nfs/dbraw/zinc/97/33/78/1371973378.db2.gz RZORWNNJMWCTEI-HNGSOEQISA-N 2 1 346.519 3.189 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209007361 1371973382 /nfs/dbraw/zinc/97/33/82/1371973382.db2.gz RZORWNNJMWCTEI-HNGSOEQISA-N 2 1 346.519 3.189 20 0 EGADMP COCOCCC[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001209027198 1371977012 /nfs/dbraw/zinc/97/70/12/1371977012.db2.gz STGOWASYSARBPC-UFYCRDLUSA-N 2 1 332.488 3.108 20 0 EGADMP COCOCCC[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001209027198 1371977018 /nfs/dbraw/zinc/97/70/18/1371977018.db2.gz STGOWASYSARBPC-UFYCRDLUSA-N 2 1 332.488 3.108 20 0 EGADMP COCOCCC[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001209027198 1371977020 /nfs/dbraw/zinc/97/70/20/1371977020.db2.gz STGOWASYSARBPC-UFYCRDLUSA-N 2 1 332.488 3.108 20 0 EGADMP CC(C)C[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001121462469 1371982753 /nfs/dbraw/zinc/98/27/53/1371982753.db2.gz IMYWVTODKQGWLN-UHFFFAOYSA-N 2 1 349.563 3.314 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209134700 1372009727 /nfs/dbraw/zinc/00/97/27/1372009727.db2.gz QZQDRUIHBCHUPB-DRDDEIGGSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001209137678 1372010531 /nfs/dbraw/zinc/01/05/31/1372010531.db2.gz HUCANQBAFLQRJY-UHFFFAOYSA-N 2 1 341.540 3.296 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[N@H+](CCCc4ccncc4)C[C@H]3C2)c1 ZINC001209184236 1372029642 /nfs/dbraw/zinc/02/96/42/1372029642.db2.gz JKGGEUJSIWQHJN-HDICACEKSA-N 2 1 327.497 3.140 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](CCCc4ccncc4)C[C@H]3C2)c1 ZINC001209184236 1372029646 /nfs/dbraw/zinc/02/96/46/1372029646.db2.gz JKGGEUJSIWQHJN-HDICACEKSA-N 2 1 327.497 3.140 20 0 EGADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](CCCc4ccncc4)C[C@H]3C2)c1 ZINC001209184236 1372029654 /nfs/dbraw/zinc/02/96/54/1372029654.db2.gz JKGGEUJSIWQHJN-HDICACEKSA-N 2 1 327.497 3.140 20 0 EGADMP c1csc(C[N@H+]2C[C@H]3C[NH+](CCCc4ccncc4)C[C@H]3C2)c1 ZINC001209184236 1372029659 /nfs/dbraw/zinc/02/96/59/1372029659.db2.gz JKGGEUJSIWQHJN-HDICACEKSA-N 2 1 327.497 3.140 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001209206086 1372037719 /nfs/dbraw/zinc/03/77/19/1372037719.db2.gz XDYQDSQLWQTBOH-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001121772446 1372076330 /nfs/dbraw/zinc/07/63/30/1372076330.db2.gz AKILOONORUQCJJ-FSCGBILYSA-N 2 1 347.547 3.092 20 0 EGADMP C[N@@H+](CC(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2)CC(C)(C)C ZINC001121791376 1372081901 /nfs/dbraw/zinc/08/19/01/1372081901.db2.gz OJIFPHRCXHBPEW-UHFFFAOYSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@@H]1C[C@@H]1C[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001209414559 1372099251 /nfs/dbraw/zinc/09/92/51/1372099251.db2.gz NPLMADNHIBFXEK-JFIYKMOQSA-N 2 1 335.442 3.271 20 0 EGADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001209414559 1372099256 /nfs/dbraw/zinc/09/92/56/1372099256.db2.gz NPLMADNHIBFXEK-JFIYKMOQSA-N 2 1 335.442 3.271 20 0 EGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001209414559 1372099263 /nfs/dbraw/zinc/09/92/63/1372099263.db2.gz NPLMADNHIBFXEK-JFIYKMOQSA-N 2 1 335.442 3.271 20 0 EGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001209414559 1372099272 /nfs/dbraw/zinc/09/92/72/1372099272.db2.gz NPLMADNHIBFXEK-JFIYKMOQSA-N 2 1 335.442 3.271 20 0 EGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001209417696 1372100291 /nfs/dbraw/zinc/10/02/91/1372100291.db2.gz XDHJOOORQGRECS-RLLQIKCJSA-N 2 1 328.500 3.398 20 0 EGADMP C[C@@H]1C[C@H]1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001209417694 1372100579 /nfs/dbraw/zinc/10/05/79/1372100579.db2.gz XDHJOOORQGRECS-HOJAQTOUSA-N 2 1 328.500 3.398 20 0 EGADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](C[C@H]1C[C@H]1C)CC2 ZINC001209417316 1372100744 /nfs/dbraw/zinc/10/07/44/1372100744.db2.gz VVMBCWSRHJDVPG-ZACQAIPSSA-N 2 1 349.544 3.102 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC001209448991 1372108923 /nfs/dbraw/zinc/10/89/23/1372108923.db2.gz OOIGPXCBFNSFIN-UHFFFAOYSA-N 2 1 329.532 3.459 20 0 EGADMP Cn1nc2ccccc2c1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001209535462 1372130005 /nfs/dbraw/zinc/13/00/05/1372130005.db2.gz CTDXMPOLKCMLDG-KRWDZBQOSA-N 2 1 326.488 3.414 20 0 EGADMP Cn1nc2ccccc2c1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001209535462 1372130008 /nfs/dbraw/zinc/13/00/08/1372130008.db2.gz CTDXMPOLKCMLDG-KRWDZBQOSA-N 2 1 326.488 3.414 20 0 EGADMP Cn1nc2ccccc2c1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001209535463 1372130190 /nfs/dbraw/zinc/13/01/90/1372130190.db2.gz CTDXMPOLKCMLDG-QGZVFWFLSA-N 2 1 326.488 3.414 20 0 EGADMP Cn1nc2ccccc2c1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001209535463 1372130194 /nfs/dbraw/zinc/13/01/94/1372130194.db2.gz CTDXMPOLKCMLDG-QGZVFWFLSA-N 2 1 326.488 3.414 20 0 EGADMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)[nH]1 ZINC001209573187 1372140622 /nfs/dbraw/zinc/14/06/22/1372140622.db2.gz ZWRDUYHUNGWVOJ-UHFFFAOYSA-N 2 1 345.512 3.252 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CCCC1CCCC1)C2 ZINC001122024163 1372155381 /nfs/dbraw/zinc/15/53/81/1372155381.db2.gz ZCTSOBCJAIRSGM-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001209659906 1372163684 /nfs/dbraw/zinc/16/36/84/1372163684.db2.gz KBZVVTPJCPMSSN-HPFMTEOYSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@H]([NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001209688527 1372170415 /nfs/dbraw/zinc/17/04/15/1372170415.db2.gz CYBSGKBUGBJULD-HKUYNNGSSA-N 2 1 345.531 3.306 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1)CC(C)(C)C ZINC001209691456 1372171683 /nfs/dbraw/zinc/17/16/83/1372171683.db2.gz VYWHCKPEADOZIB-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001122243075 1372210542 /nfs/dbraw/zinc/21/05/42/1372210542.db2.gz ZNMJRKHMWPKAHB-QAELIBMJSA-N 2 1 335.536 3.068 20 0 EGADMP CC[C@H](C)C[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209930667 1372233871 /nfs/dbraw/zinc/23/38/71/1372233871.db2.gz DBAGQWDENGRSJJ-IRXDYDNUSA-N 2 1 334.508 3.023 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209952350 1372240003 /nfs/dbraw/zinc/24/00/03/1372240003.db2.gz PRJNBVMBGNICHZ-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1cc(C[NH+]2CCN(CC[NH3+])CC2)ccc1Oc1ccc(F)cc1 ZINC001210028053 1372259475 /nfs/dbraw/zinc/25/94/75/1372259475.db2.gz IFGJIEIHEDEWCH-UHFFFAOYSA-N 2 1 343.446 3.003 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001210132796 1372277754 /nfs/dbraw/zinc/27/77/54/1372277754.db2.gz ISTRZTDSUOTDMF-IEBWSBKVSA-N 2 1 348.535 3.235 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCCCC)C1 ZINC001210182998 1372289703 /nfs/dbraw/zinc/28/97/03/1372289703.db2.gz JXXIPTSKNBRUGD-GOSISDBHSA-N 2 1 325.541 3.269 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001210183324 1372290050 /nfs/dbraw/zinc/29/00/50/1372290050.db2.gz OEZDEAACDJAXTB-ACBHZAAOSA-N 2 1 337.552 3.125 20 0 EGADMP Clc1cccc2nc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)sc21 ZINC001210262069 1372308604 /nfs/dbraw/zinc/30/86/04/1372308604.db2.gz PZLUUCIPLATZAK-UHFFFAOYSA-N 2 1 345.859 3.498 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001210782289 1372425506 /nfs/dbraw/zinc/42/55/06/1372425506.db2.gz KIFLUKBSFHNDOV-RBUKOAKNSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC001210811131 1372430676 /nfs/dbraw/zinc/43/06/76/1372430676.db2.gz JRNSBOXBGGWQBV-MOPGFXCFSA-N 2 1 349.494 3.199 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374137 1372542893 /nfs/dbraw/zinc/54/28/93/1372542893.db2.gz APLDKGFEIFEYSM-AHRSYUTCSA-N 2 1 345.531 3.162 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374137 1372542894 /nfs/dbraw/zinc/54/28/94/1372542894.db2.gz APLDKGFEIFEYSM-AHRSYUTCSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444042 1372559948 /nfs/dbraw/zinc/55/99/48/1372559948.db2.gz LMAWPBZYLLCYIN-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214855907 1373130426 /nfs/dbraw/zinc/13/04/26/1373130426.db2.gz RGMCVBLWJYLENP-ODWICZQRSA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214890267 1373136687 /nfs/dbraw/zinc/13/66/87/1373136687.db2.gz UVRZGWVDJIYTCT-IOIJZZRGSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001216510849 1373313403 /nfs/dbraw/zinc/31/34/03/1373313403.db2.gz ARLCZFJQMCQXHP-WSTZPKSXSA-N 2 1 345.531 3.143 20 0 EGADMP CC(C)c1ccccc1C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216852219 1373351460 /nfs/dbraw/zinc/35/14/60/1373351460.db2.gz SBVPWILDIBXPKH-YLJYHZDGSA-N 2 1 345.531 3.087 20 0 EGADMP CC[C@H]([NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001129422426 1373382224 /nfs/dbraw/zinc/38/22/24/1373382224.db2.gz IKKOMFVRUIMGOZ-MOPGFXCFSA-N 2 1 331.504 3.106 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccc(C(C)(C)C)cc1 ZINC001130303573 1373488595 /nfs/dbraw/zinc/48/85/95/1373488595.db2.gz DKKASSUWKTVKHL-APWZRJJASA-N 2 1 345.531 3.235 20 0 EGADMP Clc1ccc(C[N@@H+]2CC[C@@H](OC[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC001217907746 1373511731 /nfs/dbraw/zinc/51/17/31/1373511731.db2.gz HMJDFHMHBQQHBL-ZIAGYGMSSA-N 2 1 329.271 3.336 20 0 EGADMP Clc1ccc(C[N@H+]2CC[C@@H](OC[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC001217907746 1373511738 /nfs/dbraw/zinc/51/17/38/1373511738.db2.gz HMJDFHMHBQQHBL-ZIAGYGMSSA-N 2 1 329.271 3.336 20 0 EGADMP C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001217990423 1373528102 /nfs/dbraw/zinc/52/81/02/1373528102.db2.gz TZSATDXGMDTDFB-MLGOLLRUSA-N 2 1 341.293 3.278 20 0 EGADMP C[C@@H](Oc1ccc([C@H](C)[NH3+])cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001218296798 1373590060 /nfs/dbraw/zinc/59/00/60/1373590060.db2.gz MMVHQOHJIUQGQF-FVJLSDCUSA-N 2 1 340.467 3.375 20 0 EGADMP C[C@@H](Oc1ccc([C@H](C)[NH3+])cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001218296798 1373590063 /nfs/dbraw/zinc/59/00/63/1373590063.db2.gz MMVHQOHJIUQGQF-FVJLSDCUSA-N 2 1 340.467 3.375 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@H]1C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001218847294 1373660024 /nfs/dbraw/zinc/66/00/24/1373660024.db2.gz GTGSOWRMZPOSQH-IIBYNOLFSA-N 2 1 349.478 3.387 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@H]1C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001218847294 1373660027 /nfs/dbraw/zinc/66/00/27/1373660027.db2.gz GTGSOWRMZPOSQH-IIBYNOLFSA-N 2 1 349.478 3.387 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1C[C@@H](F)CC[NH2+]1)C1CCCCC1 ZINC001219023599 1373680888 /nfs/dbraw/zinc/68/08/88/1373680888.db2.gz GPDUUAGQVAYJQW-LPHOPBHVSA-N 2 1 347.478 3.480 20 0 EGADMP FC(F)(F)c1ccc2c(c1)n[nH]c2C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222153807 1373817505 /nfs/dbraw/zinc/81/75/05/1373817505.db2.gz ANDRNSAYLSKRHB-INIZCTEOSA-N 2 1 338.377 3.157 20 0 EGADMP FC(F)(F)c1ccc2c(c1)n[nH]c2C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222153807 1373817508 /nfs/dbraw/zinc/81/75/08/1373817508.db2.gz ANDRNSAYLSKRHB-INIZCTEOSA-N 2 1 338.377 3.157 20 0 EGADMP C[N@@H+](CCC(=O)NCC[NH2+][C@H]1CCc2ccccc21)C1CCCCC1 ZINC001131815893 1373820017 /nfs/dbraw/zinc/82/00/17/1373820017.db2.gz YLLAWFPKNRBOPR-FQEVSTJZSA-N 2 1 343.515 3.034 20 0 EGADMP Oc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1OCC1CC1 ZINC001222272067 1373822793 /nfs/dbraw/zinc/82/27/93/1373822793.db2.gz MQVBKRXGYBZGBE-FQEVSTJZSA-N 2 1 330.472 3.147 20 0 EGADMP Oc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1OCC1CC1 ZINC001222272067 1373822799 /nfs/dbraw/zinc/82/27/99/1373822799.db2.gz MQVBKRXGYBZGBE-FQEVSTJZSA-N 2 1 330.472 3.147 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc1 ZINC001222384951 1373831847 /nfs/dbraw/zinc/83/18/47/1373831847.db2.gz CCUQIQPWQFSQEE-NRFANRHFSA-N 2 1 344.499 3.404 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc1 ZINC001222384951 1373831853 /nfs/dbraw/zinc/83/18/53/1373831853.db2.gz CCUQIQPWQFSQEE-NRFANRHFSA-N 2 1 344.499 3.404 20 0 EGADMP CC(C)CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001224796184 1375077315 /nfs/dbraw/zinc/07/73/15/1375077315.db2.gz NKTDSCYEODAOIR-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CC[C@@H](OC[C@]2(C)C[NH+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152547 1375095896 /nfs/dbraw/zinc/09/58/96/1375095896.db2.gz VJZVEVKCFGDCNV-CTNGQTDRSA-N 2 1 346.515 3.167 20 0 EGADMP CC[NH+]1CC[C@@H](OC[C@]2(C)C[N@H+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152547 1375095900 /nfs/dbraw/zinc/09/59/00/1375095900.db2.gz VJZVEVKCFGDCNV-CTNGQTDRSA-N 2 1 346.515 3.167 20 0 EGADMP CC[NH+]1CC[C@@H](OC[C@]2(C)C[N@@H+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152547 1375095904 /nfs/dbraw/zinc/09/59/04/1375095904.db2.gz VJZVEVKCFGDCNV-CTNGQTDRSA-N 2 1 346.515 3.167 20 0 EGADMP CC[N@H+]1CC[C@@H](OC[C@@]2(C)C[NH+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152550 1375096916 /nfs/dbraw/zinc/09/69/16/1375096916.db2.gz VJZVEVKCFGDCNV-TZIWHRDSSA-N 2 1 346.515 3.167 20 0 EGADMP CC[NH+]1CC[C@@H](OC[C@@]2(C)C[N@H+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152550 1375096920 /nfs/dbraw/zinc/09/69/20/1375096920.db2.gz VJZVEVKCFGDCNV-TZIWHRDSSA-N 2 1 346.515 3.167 20 0 EGADMP CC[NH+]1CC[C@@H](OC[C@@]2(C)C[N@@H+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152550 1375096923 /nfs/dbraw/zinc/09/69/23/1375096923.db2.gz VJZVEVKCFGDCNV-TZIWHRDSSA-N 2 1 346.515 3.167 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCC1=CCCCC1 ZINC001132106455 1375151266 /nfs/dbraw/zinc/15/12/66/1375151266.db2.gz UOQYTPYXMOOLQW-PKOBYXMFSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCC1=CCCCC1 ZINC001132106455 1375151269 /nfs/dbraw/zinc/15/12/69/1375151269.db2.gz UOQYTPYXMOOLQW-PKOBYXMFSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCC1=CCCCC1 ZINC001132106455 1375151270 /nfs/dbraw/zinc/15/12/70/1375151270.db2.gz UOQYTPYXMOOLQW-PKOBYXMFSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCC1CCCC1 ZINC001132111391 1375153279 /nfs/dbraw/zinc/15/32/79/1375153279.db2.gz QPBSGCSPENIDBR-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCC1CCCC1 ZINC001132111391 1375153283 /nfs/dbraw/zinc/15/32/83/1375153283.db2.gz QPBSGCSPENIDBR-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCC1CCCC1 ZINC001132111391 1375153287 /nfs/dbraw/zinc/15/32/87/1375153287.db2.gz QPBSGCSPENIDBR-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CC1CCCCC1 ZINC001132110666 1375153490 /nfs/dbraw/zinc/15/34/90/1375153490.db2.gz KUZPXCGMMYITPI-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CC1CCCCC1 ZINC001132110666 1375153492 /nfs/dbraw/zinc/15/34/92/1375153492.db2.gz KUZPXCGMMYITPI-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CC1CCCCC1 ZINC001132110666 1375153495 /nfs/dbraw/zinc/15/34/95/1375153495.db2.gz KUZPXCGMMYITPI-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132141958 1375167421 /nfs/dbraw/zinc/16/74/21/1375167421.db2.gz WBDCLSCUHCCUIF-MSOLQXFVSA-N 2 1 346.519 3.067 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2=CCCCC2)C1 ZINC001132152514 1375172412 /nfs/dbraw/zinc/17/24/12/1375172412.db2.gz DICBRGQKYLAUBE-SJLPKXTDSA-N 2 1 335.536 3.186 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2=CCCCC2)C1 ZINC001132152514 1375172414 /nfs/dbraw/zinc/17/24/14/1375172414.db2.gz DICBRGQKYLAUBE-SJLPKXTDSA-N 2 1 335.536 3.186 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2=CCCCC2)C1 ZINC001132152514 1375172416 /nfs/dbraw/zinc/17/24/16/1375172416.db2.gz DICBRGQKYLAUBE-SJLPKXTDSA-N 2 1 335.536 3.186 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@H+]1CCCCCF ZINC001132153918 1375173988 /nfs/dbraw/zinc/17/39/88/1375173988.db2.gz VBBGHBVQMWLPLL-RDJZCZTQSA-N 2 1 346.450 3.057 20 0 EGADMP CCc1ccc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)cc1 ZINC001132248877 1375244994 /nfs/dbraw/zinc/24/49/94/1375244994.db2.gz JWBJEQMDRUDHSO-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)cc1C ZINC001132269195 1375257945 /nfs/dbraw/zinc/25/79/45/1375257945.db2.gz GPZKDCCQCLWEFY-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309769 1375288521 /nfs/dbraw/zinc/28/85/21/1375288521.db2.gz DDJFLPLXRZQBIX-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309769 1375288526 /nfs/dbraw/zinc/28/85/26/1375288526.db2.gz DDJFLPLXRZQBIX-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309769 1375288529 /nfs/dbraw/zinc/28/85/29/1375288529.db2.gz DDJFLPLXRZQBIX-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCCC)C1 ZINC001132364631 1375328650 /nfs/dbraw/zinc/32/86/50/1375328650.db2.gz CZYBLGZNUMYSSW-QZTJIDSGSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCC)C1 ZINC001132364631 1375328651 /nfs/dbraw/zinc/32/86/51/1375328651.db2.gz CZYBLGZNUMYSSW-QZTJIDSGSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC)C1 ZINC001132364631 1375328653 /nfs/dbraw/zinc/32/86/53/1375328653.db2.gz CZYBLGZNUMYSSW-QZTJIDSGSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC2CC2)C1 ZINC001132365635 1375329916 /nfs/dbraw/zinc/32/99/16/1375329916.db2.gz NGXJNFCTBUFVSZ-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2CC2)C1 ZINC001132365635 1375329927 /nfs/dbraw/zinc/32/99/27/1375329927.db2.gz NGXJNFCTBUFVSZ-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC2CC2)C1 ZINC001132365635 1375329937 /nfs/dbraw/zinc/32/99/37/1375329937.db2.gz NGXJNFCTBUFVSZ-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCC(C)C)C1 ZINC001132366278 1375332206 /nfs/dbraw/zinc/33/22/06/1375332206.db2.gz ZPYVTSPCFJWEMU-HKUYNNGSSA-N 2 1 348.535 3.377 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC(C)C)C1 ZINC001132366278 1375332213 /nfs/dbraw/zinc/33/22/13/1375332213.db2.gz ZPYVTSPCFJWEMU-HKUYNNGSSA-N 2 1 348.535 3.377 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001132367762 1375332379 /nfs/dbraw/zinc/33/23/79/1375332379.db2.gz FUNAURNHIYDCBI-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC(C)(C)C)C1 ZINC001132376397 1375339381 /nfs/dbraw/zinc/33/93/81/1375339381.db2.gz MPPJSBHCVFPPGQ-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001132392699 1375347920 /nfs/dbraw/zinc/34/79/20/1375347920.db2.gz OSFNJNWSUJXSDG-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001132411359 1375359659 /nfs/dbraw/zinc/35/96/59/1375359659.db2.gz YKIFHAYLUQYGMF-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132411359 1375359663 /nfs/dbraw/zinc/35/96/63/1375359663.db2.gz YKIFHAYLUQYGMF-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132411359 1375359670 /nfs/dbraw/zinc/35/96/70/1375359670.db2.gz YKIFHAYLUQYGMF-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C)cc2)C1 ZINC001132435019 1375379891 /nfs/dbraw/zinc/37/98/91/1375379891.db2.gz AHKNKECNPQXTHH-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2)C1 ZINC001132435019 1375379893 /nfs/dbraw/zinc/37/98/93/1375379893.db2.gz AHKNKECNPQXTHH-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)cc2)C1 ZINC001132435019 1375379894 /nfs/dbraw/zinc/37/98/94/1375379894.db2.gz AHKNKECNPQXTHH-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132441416 1375385054 /nfs/dbraw/zinc/38/50/54/1375385054.db2.gz OOCDYGKIEFPLQH-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001132441416 1375385061 /nfs/dbraw/zinc/38/50/61/1375385061.db2.gz OOCDYGKIEFPLQH-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001132441416 1375385071 /nfs/dbraw/zinc/38/50/71/1375385071.db2.gz OOCDYGKIEFPLQH-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132441270 1375385192 /nfs/dbraw/zinc/38/51/92/1375385192.db2.gz MSMOSLKWXBPJJW-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001132441270 1375385196 /nfs/dbraw/zinc/38/51/96/1375385196.db2.gz MSMOSLKWXBPJJW-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001132441270 1375385200 /nfs/dbraw/zinc/38/52/00/1375385200.db2.gz MSMOSLKWXBPJJW-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132442037 1375386466 /nfs/dbraw/zinc/38/64/66/1375386466.db2.gz VWPHVFJFRZVWDA-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001132442037 1375386473 /nfs/dbraw/zinc/38/64/73/1375386473.db2.gz VWPHVFJFRZVWDA-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001132442037 1375386477 /nfs/dbraw/zinc/38/64/77/1375386477.db2.gz VWPHVFJFRZVWDA-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)CC ZINC001227149990 1375397498 /nfs/dbraw/zinc/39/74/98/1375397498.db2.gz JBXNUIYUKIGPJF-ZWHYWQQASA-N 2 1 337.552 3.480 20 0 EGADMP CCCCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001227798222 1375477420 /nfs/dbraw/zinc/47/74/20/1375477420.db2.gz UHSDZYQKFBAEGA-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001227867217 1375484428 /nfs/dbraw/zinc/48/44/28/1375484428.db2.gz CCYVIYLXGJQARK-XLIONFOSSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC=C(C)C)C1 ZINC001228137760 1375520223 /nfs/dbraw/zinc/52/02/23/1375520223.db2.gz LFLGXYIPLSHITF-IPMKNSEASA-N 2 1 335.536 3.092 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001228619054 1375618566 /nfs/dbraw/zinc/61/85/66/1375618566.db2.gz RXDQGMUQYNLHHE-PWBPZBFBSA-N 2 1 349.563 3.482 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF)CC(C)(C)C ZINC001228646179 1375626293 /nfs/dbraw/zinc/62/62/93/1375626293.db2.gz ANENUDKNRHRLTC-IAGOWNOFSA-N 2 1 343.531 3.121 20 0 EGADMP CC[N@H+]1CC[C@H](Oc2ccc3[nH]cc(C4CC[NH+](C)CC4)c3c2)C1 ZINC001228823873 1375688066 /nfs/dbraw/zinc/68/80/66/1375688066.db2.gz SABWWGJZQOHVSG-KRWDZBQOSA-N 2 1 327.472 3.450 20 0 EGADMP CC(C)[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133012275 1375710319 /nfs/dbraw/zinc/71/03/19/1375710319.db2.gz QMNKJHCTRFZSTO-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(C(=N)NO)c(F)c1 ZINC001229081143 1375758752 /nfs/dbraw/zinc/75/87/52/1375758752.db2.gz OKMMHOQPTMKZTG-UGSOOPFHSA-N 2 1 343.402 3.029 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(C(=[NH2+])NO)c(F)c1 ZINC001229081143 1375758757 /nfs/dbraw/zinc/75/87/57/1375758757.db2.gz OKMMHOQPTMKZTG-UGSOOPFHSA-N 2 1 343.402 3.029 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(C(=[NH2+])NO)c(F)c1 ZINC001229081143 1375758765 /nfs/dbraw/zinc/75/87/65/1375758765.db2.gz OKMMHOQPTMKZTG-UGSOOPFHSA-N 2 1 343.402 3.029 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001229852757 1375903794 /nfs/dbraw/zinc/90/37/94/1375903794.db2.gz KTTFIOMZFVEWIS-RTBURBONSA-N 2 1 337.552 3.316 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC001229859928 1375906099 /nfs/dbraw/zinc/90/60/99/1375906099.db2.gz HZOMZZOLVWKHSV-RTBURBONSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133345457 1375934126 /nfs/dbraw/zinc/93/41/26/1375934126.db2.gz CJZIODNXPMIOFS-UYAOXDASSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+](CC2CCC(C)CC2)CC1 ZINC001230107648 1375944456 /nfs/dbraw/zinc/94/44/56/1375944456.db2.gz QNHIJBUETMZRGC-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001230284730 1375983719 /nfs/dbraw/zinc/98/37/19/1375983719.db2.gz SDKNCEWTQDPTBJ-GUDVDZBRSA-N 2 1 337.552 3.458 20 0 EGADMP C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230518947 1376051369 /nfs/dbraw/zinc/05/13/69/1376051369.db2.gz WHEYXBNLBQMPHO-DZGCQCFKSA-N 2 1 337.427 3.145 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230591953 1376089614 /nfs/dbraw/zinc/08/96/14/1376089614.db2.gz NRIQNZBNBZDNAT-HCZHMGAMSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230592189 1376089763 /nfs/dbraw/zinc/08/97/63/1376089763.db2.gz UNUMUNPLKQELNW-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001230598439 1376094602 /nfs/dbraw/zinc/09/46/02/1376094602.db2.gz OOHOJNISDDNKMC-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001230598439 1376094605 /nfs/dbraw/zinc/09/46/05/1376094605.db2.gz OOHOJNISDDNKMC-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001230598439 1376094613 /nfs/dbraw/zinc/09/46/13/1376094613.db2.gz OOHOJNISDDNKMC-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+]2CCC(C)C)CC1 ZINC001230617503 1376104308 /nfs/dbraw/zinc/10/43/08/1376104308.db2.gz BJULVFSTDNOPOT-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC(C)C)CC1 ZINC001230617503 1376104311 /nfs/dbraw/zinc/10/43/11/1376104311.db2.gz BJULVFSTDNOPOT-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCC(C)C)CC1 ZINC001230617503 1376104314 /nfs/dbraw/zinc/10/43/14/1376104314.db2.gz BJULVFSTDNOPOT-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628468 1376106496 /nfs/dbraw/zinc/10/64/96/1376106496.db2.gz ICHWQZDVZXRWEO-IEBWSBKVSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001230628047 1376106923 /nfs/dbraw/zinc/10/69/23/1376106923.db2.gz GJDWEKMMPSZGAY-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)c1ccc(C(C)(C)C)cc1 ZINC001133823599 1376219445 /nfs/dbraw/zinc/21/94/45/1376219445.db2.gz KIMZPQBBRXPPCM-IRXDYDNUSA-N 2 1 345.531 3.235 20 0 EGADMP c1c2c[nH+]ccc2[nH]c1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001232014106 1376382585 /nfs/dbraw/zinc/38/25/85/1376382585.db2.gz KFIGMFINCPCGAD-UTKZUKDTSA-N 2 1 332.451 3.269 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232019180 1376385925 /nfs/dbraw/zinc/38/59/25/1376385925.db2.gz XMNMFTBYLIZHJE-CJNGLKHVSA-N 2 1 344.459 3.441 20 0 EGADMP C[N@H+](Cc1ccc(OCc2ccccc2)nc1)CC1CC[NH+](C)CC1 ZINC001232358025 1376448640 /nfs/dbraw/zinc/44/86/40/1376448640.db2.gz XHQDJAPAEDNRCG-UHFFFAOYSA-N 2 1 339.483 3.434 20 0 EGADMP CCC[NH+](CCC)CCN1CC[NH+](Cc2ccc3ncoc3c2)CC1 ZINC001232944870 1376544876 /nfs/dbraw/zinc/54/48/76/1376544876.db2.gz HJDQWJSHZQIETF-UHFFFAOYSA-N 2 1 344.503 3.067 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(CF)cc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608636 1376623334 /nfs/dbraw/zinc/62/33/34/1376623334.db2.gz YEHCMWRZHXEJPP-HOTGVXAUSA-N 2 1 349.494 3.013 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001134765928 1376709211 /nfs/dbraw/zinc/70/92/11/1376709211.db2.gz AOHJALPSGAIYDU-HKUYNNGSSA-N 2 1 331.504 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001134774529 1376713255 /nfs/dbraw/zinc/71/32/55/1376713255.db2.gz ZAFYDDZULGEKLB-YSZIPOCTSA-N 2 1 345.531 3.303 20 0 EGADMP c1cc(-c2cccc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c2)cs1 ZINC001235035231 1376832881 /nfs/dbraw/zinc/83/28/81/1376832881.db2.gz DPQRUODBMAVWIZ-IEBWSBKVSA-N 2 1 328.481 3.225 20 0 EGADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235035781 1376834288 /nfs/dbraw/zinc/83/42/88/1376834288.db2.gz IIJIFUHZIFBTCT-DENIHFKCSA-N 2 1 336.479 3.472 20 0 EGADMP c1ccc2c(c1)oc1c2cccc1C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235036870 1376836002 /nfs/dbraw/zinc/83/60/02/1376836002.db2.gz OKCSAHNULKVKLT-FOIQADDNSA-N 2 1 336.435 3.396 20 0 EGADMP FC(F)(F)Sc1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235039386 1376838926 /nfs/dbraw/zinc/83/89/26/1376838926.db2.gz ZMQWIWFYJNFASW-UKRRQHHQSA-N 2 1 346.418 3.109 20 0 EGADMP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020642 1376851115 /nfs/dbraw/zinc/85/11/15/1376851115.db2.gz IONGVCLTJOVYLY-DLBZAZTESA-N 2 1 348.535 3.215 20 0 EGADMP COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235190640 1376856994 /nfs/dbraw/zinc/85/69/94/1376856994.db2.gz YLGSCDBLESTRKU-UHFFFAOYSA-N 2 1 341.455 3.063 20 0 EGADMP COC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235190640 1376857001 /nfs/dbraw/zinc/85/70/01/1376857001.db2.gz YLGSCDBLESTRKU-UHFFFAOYSA-N 2 1 341.455 3.063 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccsc1 ZINC001235338191 1376867822 /nfs/dbraw/zinc/86/78/22/1376867822.db2.gz VKDSEXRKWQDILT-MSOLQXFVSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccsc1 ZINC001235338191 1376867826 /nfs/dbraw/zinc/86/78/26/1376867826.db2.gz VKDSEXRKWQDILT-MSOLQXFVSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccsc1 ZINC001235338191 1376867832 /nfs/dbraw/zinc/86/78/32/1376867832.db2.gz VKDSEXRKWQDILT-MSOLQXFVSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccsc1 ZINC001235338191 1376867834 /nfs/dbraw/zinc/86/78/34/1376867834.db2.gz VKDSEXRKWQDILT-MSOLQXFVSA-N 2 1 349.544 3.044 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CC1CCC(C)(C)CC1)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235338202 1376868609 /nfs/dbraw/zinc/86/86/09/1376868609.db2.gz VQRLBDQTRMLJHN-OALUTQOASA-N 2 1 349.563 3.076 20 0 EGADMP CCOc1cc(OC)ccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430153 1376872214 /nfs/dbraw/zinc/87/22/14/1376872214.db2.gz FZXQVTNSNBQDJW-IRXDYDNUSA-N 2 1 332.488 3.306 20 0 EGADMP CC[NH+]1C[C@H]2C[NH+](Cc3cc(OC)ccc3-c3ccncc3)C[C@@H]2C1 ZINC001238658744 1377000286 /nfs/dbraw/zinc/00/02/86/1377000286.db2.gz QUBVBHVEOVVSLX-OALUTQOASA-N 2 1 337.467 3.141 20 0 EGADMP COc1ccc(-c2ccncc2)c(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC001238655829 1377000504 /nfs/dbraw/zinc/00/05/04/1377000504.db2.gz JGRIGECNBQWCBX-UHFFFAOYSA-N 2 1 325.456 3.283 20 0 EGADMP COc1ccc(-c2ccncc2)c(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC001238655829 1377000507 /nfs/dbraw/zinc/00/05/07/1377000507.db2.gz JGRIGECNBQWCBX-UHFFFAOYSA-N 2 1 325.456 3.283 20 0 EGADMP Clc1cccc2c1C[C@@H]([NH2+][C@H]1CCCC[C@@]13C[NH2+]CCO3)CC2 ZINC001246160607 1377050406 /nfs/dbraw/zinc/05/04/06/1377050406.db2.gz NTFIXNIVILSIBM-ZYSHUDEJSA-N 2 1 334.891 3.088 20 0 EGADMP [NH3+]C[C@H]1CCCCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246546258 1377052104 /nfs/dbraw/zinc/05/21/04/1377052104.db2.gz ZVDFOAVXOQOWNJ-MHTWAQMVSA-N 2 1 327.516 3.385 20 0 EGADMP Cc1nc([C@H]2C[C@@H]3CC[N@@H+](C4C[C@H]5CC[C@@H](C4)[NH2+]5)C[C@H]3O2)sc1C ZINC001246719566 1377053545 /nfs/dbraw/zinc/05/35/45/1377053545.db2.gz YTYGLCFHBURNPN-LWDSIFNZSA-N 2 1 347.528 3.195 20 0 EGADMP Cc1nc([C@H]2C[C@@H]3CC[N@H+](C4C[C@H]5CC[C@@H](C4)[NH2+]5)C[C@H]3O2)sc1C ZINC001246719566 1377053547 /nfs/dbraw/zinc/05/35/47/1377053547.db2.gz YTYGLCFHBURNPN-LWDSIFNZSA-N 2 1 347.528 3.195 20 0 EGADMP COC(=O)CC1CCC([N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)CC1 ZINC001246938350 1377056169 /nfs/dbraw/zinc/05/61/69/1377056169.db2.gz PDLDHYBSSWWPET-HFCFLWKCSA-N 2 1 336.520 3.353 20 0 EGADMP O[C@@]1(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)CCN(Cc2ccccc2)C1 ZINC001252933588 1377093463 /nfs/dbraw/zinc/09/34/63/1377093463.db2.gz LKXUTWFZXARPPK-HKBOAZHASA-N 2 1 328.500 3.278 20 0 EGADMP O[C@@]1(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)CC[NH+](Cc2ccccc2)C1 ZINC001252933588 1377093464 /nfs/dbraw/zinc/09/34/64/1377093464.db2.gz LKXUTWFZXARPPK-HKBOAZHASA-N 2 1 328.500 3.278 20 0 EGADMP O[C@@]1(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)CC[NH+](Cc2ccccc2)C1 ZINC001252933588 1377093468 /nfs/dbraw/zinc/09/34/68/1377093468.db2.gz LKXUTWFZXARPPK-HKBOAZHASA-N 2 1 328.500 3.278 20 0 EGADMP O[C@@]1(C[NH+]2CCC[C@H]3CCCC[C@@H]32)CC[N@H+](Cc2ccccc2)C1 ZINC001252933588 1377093471 /nfs/dbraw/zinc/09/34/71/1377093471.db2.gz LKXUTWFZXARPPK-HKBOAZHASA-N 2 1 328.500 3.278 20 0 EGADMP O[C@@]1(C[NH+]2CCC[C@H]3CCCC[C@@H]32)CC[N@@H+](Cc2ccccc2)C1 ZINC001252933588 1377093473 /nfs/dbraw/zinc/09/34/73/1377093473.db2.gz LKXUTWFZXARPPK-HKBOAZHASA-N 2 1 328.500 3.278 20 0 EGADMP COC(=O)c1ccc(C2CC[NH+]([C@@H]3CCC[N@@H+](C)CC3)CC2)cc1 ZINC001254526780 1377106980 /nfs/dbraw/zinc/10/69/80/1377106980.db2.gz UOIVLCSBTXRAHI-LJQANCHMSA-N 2 1 330.472 3.137 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135475464 1377110161 /nfs/dbraw/zinc/11/01/61/1377110161.db2.gz AVFXLUUOYTYYBK-DLBZAZTESA-N 2 1 333.520 3.037 20 0 EGADMP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135480332 1377112102 /nfs/dbraw/zinc/11/21/02/1377112102.db2.gz ASZOQDGABKNEPR-IRXDYDNUSA-N 2 1 327.557 3.418 20 0 EGADMP C[C@@H]1CC([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)C[C@@H](C)O1 ZINC001257100048 1377113189 /nfs/dbraw/zinc/11/31/89/1377113189.db2.gz VYYVWKCCQZDHHS-IAGOWNOFSA-N 2 1 328.500 3.465 20 0 EGADMP C[C@@H]1CC([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)C[C@@H](C)O1 ZINC001257100048 1377113192 /nfs/dbraw/zinc/11/31/92/1377113192.db2.gz VYYVWKCCQZDHHS-IAGOWNOFSA-N 2 1 328.500 3.465 20 0 EGADMP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C(CC(C)C)CC(C)C)CC2 ZINC001258835099 1377119518 /nfs/dbraw/zinc/11/95/18/1377119518.db2.gz RMMCRTGPOUZCTJ-UHFFFAOYSA-N 2 1 337.552 3.124 20 0 EGADMP CNC(=O)C[N@H+]1CCCC12CC[NH+](C(CC(C)C)CC(C)C)CC2 ZINC001258835099 1377119520 /nfs/dbraw/zinc/11/95/20/1377119520.db2.gz RMMCRTGPOUZCTJ-UHFFFAOYSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCC(C)(C)[NH3+])c1 ZINC001262043274 1377128006 /nfs/dbraw/zinc/12/80/06/1377128006.db2.gz MSWRUKFXBXVTJH-UHFFFAOYSA-N 2 1 339.483 3.176 20 0 EGADMP CC(C)CCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135584159 1377155285 /nfs/dbraw/zinc/15/52/85/1377155285.db2.gz LBBICZLUTLXOKW-SJORKVTESA-N 2 1 336.524 3.316 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCCC1 ZINC001135600220 1377158975 /nfs/dbraw/zinc/15/89/75/1377158975.db2.gz IYGXORVJASCSCZ-IAGOWNOFSA-N 2 1 348.535 3.460 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C\Cl ZINC001135600760 1377159231 /nfs/dbraw/zinc/15/92/31/1377159231.db2.gz MPZGTLUFQZYUHL-JFOCPDPESA-N 2 1 340.899 3.022 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC1 ZINC001135601439 1377159291 /nfs/dbraw/zinc/15/92/91/1377159291.db2.gz UKCLJUPIWXWEEG-HZPDHXFCSA-N 2 1 334.508 3.070 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]C/C=C/Cl ZINC001135691518 1377185005 /nfs/dbraw/zinc/18/50/05/1377185005.db2.gz VTQFEMHGFCZJRX-DMGQIGSTSA-N 2 1 331.932 3.124 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001135718936 1377193233 /nfs/dbraw/zinc/19/32/33/1377193233.db2.gz VXPRBLFEYSIYKK-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1C ZINC001135861053 1377238341 /nfs/dbraw/zinc/23/83/41/1377238341.db2.gz LTEGFGJGSXAVQS-RTBURBONSA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135861657 1377238578 /nfs/dbraw/zinc/23/85/78/1377238578.db2.gz VCPXUNMGQLVXKB-ZWKOTPCHSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001135974609 1377283825 /nfs/dbraw/zinc/28/38/25/1377283825.db2.gz RWOPSVBCRSQZIH-IWZNPOATSA-N 2 1 345.531 3.305 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCc1ccccc1 ZINC001135979555 1377284989 /nfs/dbraw/zinc/28/49/89/1377284989.db2.gz HIFWQZLCZSEKJD-RBUKOAKNSA-N 2 1 347.547 3.224 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135980496 1377285725 /nfs/dbraw/zinc/28/57/25/1377285725.db2.gz PCAVEQJFNWGPFG-SJORKVTESA-N 2 1 339.568 3.418 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC/C=C\c1ccccc1 ZINC001135980477 1377286361 /nfs/dbraw/zinc/28/63/61/1377286361.db2.gz OSUXOVBGURDKHG-CLARTRLESA-N 2 1 345.531 3.305 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001135995160 1377291677 /nfs/dbraw/zinc/29/16/77/1377291677.db2.gz AEIKYSGTXXHJRY-IRXDYDNUSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC(C)(C)C ZINC001135995162 1377291817 /nfs/dbraw/zinc/29/18/17/1377291817.db2.gz AEPRCFIMTMIZGW-DLBZAZTESA-N 2 1 327.557 3.418 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)cs1)C2 ZINC001137154609 1377487610 /nfs/dbraw/zinc/48/76/10/1377487610.db2.gz NBDCBZALPFMKIC-HKUYNNGSSA-N 2 1 334.529 3.237 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(C)cs1)C2 ZINC001137154609 1377487611 /nfs/dbraw/zinc/48/76/11/1377487611.db2.gz NBDCBZALPFMKIC-HKUYNNGSSA-N 2 1 334.529 3.237 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(C)cs1)C2 ZINC001137154609 1377487612 /nfs/dbraw/zinc/48/76/12/1377487612.db2.gz NBDCBZALPFMKIC-HKUYNNGSSA-N 2 1 334.529 3.237 20 0 EGADMP Clc1ccncc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001137231706 1377500645 /nfs/dbraw/zinc/50/06/45/1377500645.db2.gz SDPXMAHTJKTCNE-UHFFFAOYSA-N 2 1 337.895 3.059 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4c[nH]c5ncccc45)C[C@@H]3C2)c1 ZINC001137398995 1377540959 /nfs/dbraw/zinc/54/09/59/1377540959.db2.gz HCFNOYWVYSQOJK-HZPDHXFCSA-N 2 1 338.480 3.188 20 0 EGADMP CC[NH+](CC)C1CCN(Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138547018 1377740090 /nfs/dbraw/zinc/74/00/90/1377740090.db2.gz BEUBDWMADWGNNZ-UHFFFAOYSA-N 2 1 326.488 3.487 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCC1(F)F ZINC001138770238 1377782441 /nfs/dbraw/zinc/78/24/41/1377782441.db2.gz UUATTZVSGPWZHR-HNNXBMFYSA-N 2 1 326.431 3.494 20 0 EGADMP CCC(=O)Oc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc1 ZINC001138967277 1377810904 /nfs/dbraw/zinc/81/09/04/1377810904.db2.gz FKCUYIJEJPXQEU-UHFFFAOYSA-N 2 1 339.439 3.028 20 0 EGADMP CCCn1cc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139041579 1377821476 /nfs/dbraw/zinc/82/14/76/1377821476.db2.gz LKLNNWWDUSNEDD-SFTDATJTSA-N 2 1 338.499 3.247 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2ccc3cccnc3c2)CC1 ZINC001139168836 1377842870 /nfs/dbraw/zinc/84/28/70/1377842870.db2.gz ZLHUQIJZCMBOPL-FQEVSTJZSA-N 2 1 339.483 3.310 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc3nsnc3c2)CC1 ZINC001139211587 1377852126 /nfs/dbraw/zinc/85/21/26/1377852126.db2.gz OFDDICUDABFRJI-UHFFFAOYSA-N 2 1 339.468 3.134 20 0 EGADMP O=C1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)C[C@H]12 ZINC001139355812 1377872663 /nfs/dbraw/zinc/87/26/63/1377872663.db2.gz BPHCMBWPIBFLHA-PMACEKPBSA-N 2 1 329.403 3.284 20 0 EGADMP c1ccc(-c2ccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cn2)cc1 ZINC001139515139 1377895196 /nfs/dbraw/zinc/89/51/96/1377895196.db2.gz FTRHCMUFUSNUDJ-UHFFFAOYSA-N 2 1 330.435 3.466 20 0 EGADMP Cn1ncc2ccc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)cc21 ZINC001139908159 1377975897 /nfs/dbraw/zinc/97/58/97/1377975897.db2.gz GEFFBJMYUPWMIK-NHCUHLMSSA-N 2 1 346.478 3.137 20 0 EGADMP c1ccc2cc(C[N@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)ncc2c1 ZINC001139996538 1377989227 /nfs/dbraw/zinc/98/92/27/1377989227.db2.gz JLJZZWSMRYAIEN-OYRHEFFESA-N 2 1 344.462 3.194 20 0 EGADMP c1ccc2cc(CN3C[C@@H]4C[N@@H+](Cc5cccnc5)C[C@@H]4C3)ncc2c1 ZINC001139996538 1377989229 /nfs/dbraw/zinc/98/92/29/1377989229.db2.gz JLJZZWSMRYAIEN-OYRHEFFESA-N 2 1 344.462 3.194 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[NH+](CC2CCCC2)CC1 ZINC001140028242 1377992908 /nfs/dbraw/zinc/99/29/08/1377992908.db2.gz PCFGVSXWROTAEP-UHFFFAOYSA-N 2 1 338.499 3.489 20 0 EGADMP FC(F)(F)CCCN1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275166329 1378137406 /nfs/dbraw/zinc/13/74/06/1378137406.db2.gz SEXKGYCLIHMEHY-MRXNPFEDSA-N 2 1 334.426 3.438 20 0 EGADMP FC(F)(F)CCC[N@@H+]1CCC[C@]2(CN(C3CCCC3)CCO2)C1 ZINC001275166329 1378137409 /nfs/dbraw/zinc/13/74/09/1378137409.db2.gz SEXKGYCLIHMEHY-MRXNPFEDSA-N 2 1 334.426 3.438 20 0 EGADMP NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140804746 1378143554 /nfs/dbraw/zinc/14/35/54/1378143554.db2.gz CNFCDLACXLIUJI-WOJBJXKFSA-N 2 1 348.450 3.187 20 0 EGADMP NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140804746 1378143559 /nfs/dbraw/zinc/14/35/59/1378143559.db2.gz CNFCDLACXLIUJI-WOJBJXKFSA-N 2 1 348.450 3.187 20 0 EGADMP COc1ccc(O[C@H]2CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)nc1 ZINC001140806662 1378145686 /nfs/dbraw/zinc/14/56/86/1378145686.db2.gz NILTVQATPDRDPJ-INIZCTEOSA-N 2 1 338.411 3.010 20 0 EGADMP COc1ccc(O[C@H]2CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)nc1 ZINC001140806662 1378145694 /nfs/dbraw/zinc/14/56/94/1378145694.db2.gz NILTVQATPDRDPJ-INIZCTEOSA-N 2 1 338.411 3.010 20 0 EGADMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)s1)CC2 ZINC001276161764 1378168631 /nfs/dbraw/zinc/16/86/31/1378168631.db2.gz RBTMOWGFWJTQHZ-UHFFFAOYSA-N 2 1 341.952 3.251 20 0 EGADMP CCCCc1ccc(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)cc1 ZINC001276336195 1378172449 /nfs/dbraw/zinc/17/24/49/1378172449.db2.gz FXKPLKJMNZZWOO-LEWJYISDSA-N 2 1 329.532 3.097 20 0 EGADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](C[C@@H]1CCCOC1)CC2 ZINC001276717609 1378184787 /nfs/dbraw/zinc/18/47/87/1378184787.db2.gz AFMUSRKHJUPJOE-KRWDZBQOSA-N 2 1 349.544 3.166 20 0 EGADMP Cc1nccnc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140939473 1378186094 /nfs/dbraw/zinc/18/60/94/1378186094.db2.gz MWAYPKSZBFBIQU-WOJBJXKFSA-N 2 1 336.483 3.129 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc3cccc(O)c3n2)CC1 ZINC001141023790 1378210907 /nfs/dbraw/zinc/21/09/07/1378210907.db2.gz XJASWLNGQJXSFC-UHFFFAOYSA-N 2 1 327.472 3.493 20 0 EGADMP CCn1ccnc1C[N@@H+]1CCCC2(CC[NH+](CC(C)(C)OC)CC2)C1 ZINC001277585017 1378235038 /nfs/dbraw/zinc/23/50/38/1378235038.db2.gz ZQRDIXROOPTMDY-UHFFFAOYSA-N 2 1 348.535 3.006 20 0 EGADMP CCn1ccnc1C[N@H+]1CCCC2(CC[NH+](CC(C)(C)OC)CC2)C1 ZINC001277585017 1378235046 /nfs/dbraw/zinc/23/50/46/1378235046.db2.gz ZQRDIXROOPTMDY-UHFFFAOYSA-N 2 1 348.535 3.006 20 0 EGADMP COc1ccc2nccc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)c2c1 ZINC001141151665 1378250983 /nfs/dbraw/zinc/25/09/83/1378250983.db2.gz USFZQEABEZWMFT-UHFFFAOYSA-N 2 1 325.456 3.161 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[C@@]12CC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2)C(C)C ZINC001278148777 1378259493 /nfs/dbraw/zinc/25/94/93/1378259493.db2.gz PWWAHSPMYDRDIQ-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[C@@]12CC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2)C(C)C ZINC001278148777 1378259499 /nfs/dbraw/zinc/25/94/99/1378259499.db2.gz PWWAHSPMYDRDIQ-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[C@@]12CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2)C(C)C ZINC001278148777 1378259500 /nfs/dbraw/zinc/25/95/00/1378259500.db2.gz PWWAHSPMYDRDIQ-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP FC(F)(F)CCC[NH+]1CC2(C1)CC[NH+](CCN1CCCCC1)CC2 ZINC001278147519 1378259523 /nfs/dbraw/zinc/25/95/23/1378259523.db2.gz XTXFSAKXPQMJRQ-UHFFFAOYSA-N 2 1 347.469 3.213 20 0 EGADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](CCCCF)CC2 ZINC001278205502 1378262641 /nfs/dbraw/zinc/26/26/41/1378262641.db2.gz OTZOGKIXPZQERX-UHFFFAOYSA-N 2 1 325.497 3.489 20 0 EGADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCCC[C@H]2C)c1C ZINC001141563667 1378345286 /nfs/dbraw/zinc/34/52/86/1378345286.db2.gz OOVZYAJITORZAD-OAHLLOKOSA-N 2 1 348.535 3.078 20 0 EGADMP COc1cc(C)cc(OC)c1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001143147702 1378548052 /nfs/dbraw/zinc/54/80/52/1378548052.db2.gz PYTUUPMBLZIYTG-UHFFFAOYSA-N 2 1 341.455 3.038 20 0 EGADMP CN(CC[N@@H+](C)CCCC(C)(C)C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001753855429 1440508441 /nfs/dbraw/zinc/50/84/41/1440508441.db2.gz XTQNUDMDLYGVLQ-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CN(CC[NH+](C)CCCC(C)(C)C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001753855429 1440508442 /nfs/dbraw/zinc/50/84/42/1440508442.db2.gz XTQNUDMDLYGVLQ-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CN(CC[NH+](C)CCCC(C)(C)C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001753855429 1440508443 /nfs/dbraw/zinc/50/84/43/1440508443.db2.gz XTQNUDMDLYGVLQ-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC001146595072 1378874616 /nfs/dbraw/zinc/87/46/16/1378874616.db2.gz WTNARBJGXGGBNJ-CABCVRRESA-N 2 1 339.911 3.053 20 0 EGADMP Cc1cccc(CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001146594257 1378874801 /nfs/dbraw/zinc/87/48/01/1378874801.db2.gz SDFPLXSTXRIDIK-RTBURBONSA-N 2 1 347.547 3.141 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001146601111 1378875957 /nfs/dbraw/zinc/87/59/57/1378875957.db2.gz KBHQGQLVQYLDJM-IAGOWNOFSA-N 2 1 345.531 3.277 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001147359138 1379008232 /nfs/dbraw/zinc/00/82/32/1379008232.db2.gz LYBNJSDNJNBZGK-LPHOPBHVSA-N 2 1 349.494 3.247 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001147359964 1379009152 /nfs/dbraw/zinc/00/91/52/1379009152.db2.gz XZWXARYMUAMTAX-ICSRJNTNSA-N 2 1 345.531 3.416 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001147658382 1379056830 /nfs/dbraw/zinc/05/68/30/1379056830.db2.gz RTHGNLXCVZRLSW-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2 ZINC001147658382 1379056834 /nfs/dbraw/zinc/05/68/34/1379056834.db2.gz RTHGNLXCVZRLSW-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCC(C)(C)C)C2 ZINC001147658382 1379056838 /nfs/dbraw/zinc/05/68/38/1379056838.db2.gz RTHGNLXCVZRLSW-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001147716301 1379064791 /nfs/dbraw/zinc/06/47/91/1379064791.db2.gz DNEPUKYGQULGRF-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001147716301 1379064797 /nfs/dbraw/zinc/06/47/97/1379064797.db2.gz DNEPUKYGQULGRF-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001147716301 1379064800 /nfs/dbraw/zinc/06/48/00/1379064800.db2.gz DNEPUKYGQULGRF-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCCCC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147986616 1379103260 /nfs/dbraw/zinc/10/32/60/1379103260.db2.gz SUNQHEVBLOBIFH-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001147986616 1379103261 /nfs/dbraw/zinc/10/32/61/1379103261.db2.gz SUNQHEVBLOBIFH-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001147986616 1379103263 /nfs/dbraw/zinc/10/32/63/1379103263.db2.gz SUNQHEVBLOBIFH-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC2(C1)CC[N@@H+](CC(C)C)C2 ZINC001148611767 1379225873 /nfs/dbraw/zinc/22/58/73/1379225873.db2.gz MQISQRIPDYVDEY-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC001148638945 1379232564 /nfs/dbraw/zinc/23/25/64/1379232564.db2.gz UTANMIGXWGNLPP-LBPRGKRZSA-N 2 1 346.302 3.102 20 0 EGADMP CC[N@@H+](CC/C=C/c1ccccc1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392807 1379925713 /nfs/dbraw/zinc/92/57/13/1379925713.db2.gz UVVXBEJYCBUYEZ-XEFROOKYSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](CC/C=C/c1ccccc1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152392807 1379925718 /nfs/dbraw/zinc/92/57/18/1379925718.db2.gz UVVXBEJYCBUYEZ-XEFROOKYSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](CC/C=C/c1ccccc1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152392807 1379925721 /nfs/dbraw/zinc/92/57/21/1379925721.db2.gz UVVXBEJYCBUYEZ-XEFROOKYSA-N 2 1 343.515 3.011 20 0 EGADMP CC[N@@H+](Cc1ccccc1C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153312251 1380053981 /nfs/dbraw/zinc/05/39/81/1380053981.db2.gz BVLHJJDVPFXDEA-UYAOXDASSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](Cc1ccccc1C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153312251 1380053982 /nfs/dbraw/zinc/05/39/82/1380053982.db2.gz BVLHJJDVPFXDEA-UYAOXDASSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](Cc1ccccc1C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153312251 1380053986 /nfs/dbraw/zinc/05/39/86/1380053986.db2.gz BVLHJJDVPFXDEA-UYAOXDASSA-N 2 1 345.531 3.194 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCCC2CCC2)CC[N@H+]1C ZINC001153507606 1380086521 /nfs/dbraw/zinc/08/65/21/1380086521.db2.gz XIMDNZFAANYZJQ-NZSAHSFTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCC2CCC2)CC[NH+]1C ZINC001153507606 1380086522 /nfs/dbraw/zinc/08/65/22/1380086522.db2.gz XIMDNZFAANYZJQ-NZSAHSFTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCC2CCC2)CC[NH+]1C ZINC001153507606 1380086524 /nfs/dbraw/zinc/08/65/24/1380086524.db2.gz XIMDNZFAANYZJQ-NZSAHSFTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCCC1 ZINC001153677456 1380113904 /nfs/dbraw/zinc/11/39/04/1380113904.db2.gz FEHCKHPPDRFJRA-SJLPKXTDSA-N 2 1 343.531 3.073 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001153802307 1380132458 /nfs/dbraw/zinc/13/24/58/1380132458.db2.gz IUBBTHLBWBQHGU-JCMVTEASSA-N 2 1 337.552 3.147 20 0 EGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001153802307 1380132460 /nfs/dbraw/zinc/13/24/60/1380132460.db2.gz IUBBTHLBWBQHGU-JCMVTEASSA-N 2 1 337.552 3.147 20 0 EGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001153802307 1380132462 /nfs/dbraw/zinc/13/24/62/1380132462.db2.gz IUBBTHLBWBQHGU-JCMVTEASSA-N 2 1 337.552 3.147 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCCc2nccn21 ZINC001153818935 1380136285 /nfs/dbraw/zinc/13/62/85/1380136285.db2.gz GSRGTAFMJGHTFS-SJORKVTESA-N 2 1 348.535 3.413 20 0 EGADMP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153818935 1380136287 /nfs/dbraw/zinc/13/62/87/1380136287.db2.gz GSRGTAFMJGHTFS-SJORKVTESA-N 2 1 348.535 3.413 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153818935 1380136289 /nfs/dbraw/zinc/13/62/89/1380136289.db2.gz GSRGTAFMJGHTFS-SJORKVTESA-N 2 1 348.535 3.413 20 0 EGADMP CCc1cccc(C[N@H+](CC)[C@H](C)CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001153828905 1380138966 /nfs/dbraw/zinc/13/89/66/1380138966.db2.gz QZWQYQSLAAGCPL-QGZVFWFLSA-N 2 1 345.531 3.060 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990373 1380171168 /nfs/dbraw/zinc/17/11/68/1380171168.db2.gz BVNFPSVTHYSUPP-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C2CC2)cc1)[NH+](C)C ZINC001154001252 1380174970 /nfs/dbraw/zinc/17/49/70/1380174970.db2.gz QJAWVVIXOIZXNF-OXQOHEQNSA-N 2 1 345.531 3.231 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C)cc1C ZINC001154070244 1380198301 /nfs/dbraw/zinc/19/83/01/1380198301.db2.gz VGYXFHDHZJAWOO-GOSISDBHSA-N 2 1 347.547 3.360 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154070244 1380198303 /nfs/dbraw/zinc/19/83/03/1380198303.db2.gz VGYXFHDHZJAWOO-GOSISDBHSA-N 2 1 347.547 3.360 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154070244 1380198304 /nfs/dbraw/zinc/19/83/04/1380198304.db2.gz VGYXFHDHZJAWOO-GOSISDBHSA-N 2 1 347.547 3.360 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC(C)CC1 ZINC001154069368 1380198400 /nfs/dbraw/zinc/19/84/00/1380198400.db2.gz AZWYUIHAJZQJLY-LXPRWKDFSA-N 2 1 339.568 3.370 20 0 EGADMP CC[NH+](CC1CCC(C)CC1)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154069368 1380198405 /nfs/dbraw/zinc/19/84/05/1380198405.db2.gz AZWYUIHAJZQJLY-LXPRWKDFSA-N 2 1 339.568 3.370 20 0 EGADMP CC[NH+](CC1CCC(C)CC1)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154069368 1380198406 /nfs/dbraw/zinc/19/84/06/1380198406.db2.gz AZWYUIHAJZQJLY-LXPRWKDFSA-N 2 1 339.568 3.370 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154122755 1380213205 /nfs/dbraw/zinc/21/32/05/1380213205.db2.gz JKECQANNHWIJEI-TYFAACHXSA-N 2 1 337.552 3.290 20 0 EGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001154122755 1380213207 /nfs/dbraw/zinc/21/32/07/1380213207.db2.gz JKECQANNHWIJEI-TYFAACHXSA-N 2 1 337.552 3.290 20 0 EGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001154122755 1380213208 /nfs/dbraw/zinc/21/32/08/1380213208.db2.gz JKECQANNHWIJEI-TYFAACHXSA-N 2 1 337.552 3.290 20 0 EGADMP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167627 1380219945 /nfs/dbraw/zinc/21/99/45/1380219945.db2.gz MOXUDTPJSAJQBO-GOSISDBHSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167958 1380220034 /nfs/dbraw/zinc/22/00/34/1380220034.db2.gz WUIXXJGWUUDLHV-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178709 1380222224 /nfs/dbraw/zinc/22/22/24/1380222224.db2.gz MMEAUEMKQMANTB-FYCOFBDGSA-N 2 1 328.460 3.131 20 0 EGADMP CC[N@@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154348185 1380261316 /nfs/dbraw/zinc/26/13/16/1380261316.db2.gz UDANARFFNSWALZ-IAGOWNOFSA-N 2 1 344.503 3.457 20 0 EGADMP CC[NH+](C/C=C\Cl)[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001154464446 1380282455 /nfs/dbraw/zinc/28/24/55/1380282455.db2.gz LHXJWVLQCFYJKX-IYCSXQJISA-N 2 1 343.943 3.220 20 0 EGADMP CC[NH+](C/C=C\Cl)[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001154464446 1380282457 /nfs/dbraw/zinc/28/24/57/1380282457.db2.gz LHXJWVLQCFYJKX-IYCSXQJISA-N 2 1 343.943 3.220 20 0 EGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001154785030 1380350714 /nfs/dbraw/zinc/35/07/14/1380350714.db2.gz WRWJRYRRIJCYRM-FAPWYTRCSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001154785030 1380350716 /nfs/dbraw/zinc/35/07/16/1380350716.db2.gz WRWJRYRRIJCYRM-FAPWYTRCSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001154785030 1380350718 /nfs/dbraw/zinc/35/07/18/1380350718.db2.gz WRWJRYRRIJCYRM-FAPWYTRCSA-N 2 1 337.552 3.291 20 0 EGADMP CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001154844627 1380363453 /nfs/dbraw/zinc/36/34/53/1380363453.db2.gz QSJAXRCLKZIFGK-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](CC1CCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001154844627 1380363455 /nfs/dbraw/zinc/36/34/55/1380363455.db2.gz QSJAXRCLKZIFGK-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](CC1CCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001154844627 1380363457 /nfs/dbraw/zinc/36/34/57/1380363457.db2.gz QSJAXRCLKZIFGK-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154909679 1380374996 /nfs/dbraw/zinc/37/49/96/1380374996.db2.gz SQXFEQZMVNGFAP-GOSISDBHSA-N 2 1 347.547 3.478 20 0 EGADMP CC[N@@H+](Cc1ccc(C2CCC2)cc1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005407 1380389167 /nfs/dbraw/zinc/38/91/67/1380389167.db2.gz LYRDRPVVRYSDQQ-QGZVFWFLSA-N 2 1 345.531 3.232 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001155180708 1380420304 /nfs/dbraw/zinc/42/03/04/1380420304.db2.gz MPGSROAGKPVCCM-CONOYDDESA-N 2 1 325.541 3.290 20 0 EGADMP CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155249511 1380429066 /nfs/dbraw/zinc/42/90/66/1380429066.db2.gz NBPPXGKBYWWFOQ-QGZVFWFLSA-N 2 1 345.531 3.031 20 0 EGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155283100 1380433276 /nfs/dbraw/zinc/43/32/76/1380433276.db2.gz HNDQEGQQHQFTBD-GOSISDBHSA-N 2 1 349.563 3.435 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001155283100 1380433277 /nfs/dbraw/zinc/43/32/77/1380433277.db2.gz HNDQEGQQHQFTBD-GOSISDBHSA-N 2 1 349.563 3.435 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001155283100 1380433278 /nfs/dbraw/zinc/43/32/78/1380433278.db2.gz HNDQEGQQHQFTBD-GOSISDBHSA-N 2 1 349.563 3.435 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(N[C@@]45CCC[C@@H]4[NH2+]CC5)ccc3C2)cc1 ZINC001155402840 1380446772 /nfs/dbraw/zinc/44/67/72/1380446772.db2.gz VWNITRAKGFSBIA-RBBKRZOGSA-N 2 1 348.494 3.336 20 0 EGADMP COc1ccc2cc[nH+]c(NCC[C@@H]3C[NH2+]Cc4cccn4C3)c2c1 ZINC001155459940 1380456355 /nfs/dbraw/zinc/45/63/55/1380456355.db2.gz ZPPOTHCMUFLHFW-OAHLLOKOSA-N 2 1 336.439 3.267 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155994521 1380511639 /nfs/dbraw/zinc/51/16/39/1380511639.db2.gz XYGTYQGMZOHKGC-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)c2cccc(N)[nH+]2)cc1 ZINC001156295248 1380553897 /nfs/dbraw/zinc/55/38/97/1380553897.db2.gz XHBVFIGKLUQMDY-QGZVFWFLSA-N 2 1 340.471 3.163 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)c2cccc(N)[nH+]2)cc1 ZINC001156295248 1380553898 /nfs/dbraw/zinc/55/38/98/1380553898.db2.gz XHBVFIGKLUQMDY-QGZVFWFLSA-N 2 1 340.471 3.163 20 0 EGADMP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374131 1380566988 /nfs/dbraw/zinc/56/69/88/1380566988.db2.gz JXHVFZNOLJOURN-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156374131 1380566990 /nfs/dbraw/zinc/56/69/90/1380566990.db2.gz JXHVFZNOLJOURN-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156374131 1380566995 /nfs/dbraw/zinc/56/69/95/1380566995.db2.gz JXHVFZNOLJOURN-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CCCc1ccccc1C ZINC001156531157 1380589339 /nfs/dbraw/zinc/58/93/39/1380589339.db2.gz ZBUZGAHZBATWMP-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CCCc1ccccc1C ZINC001156531157 1380589341 /nfs/dbraw/zinc/58/93/41/1380589341.db2.gz ZBUZGAHZBATWMP-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CCCc1ccccc1C ZINC001156531157 1380589342 /nfs/dbraw/zinc/58/93/42/1380589342.db2.gz ZBUZGAHZBATWMP-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP CC1(C)C[N@@H+](CC2CCCC2)CC[C@@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001328099417 1388671454 /nfs/dbraw/zinc/67/14/54/1388671454.db2.gz VMYRVVHKPNCYGE-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156961419 1380738429 /nfs/dbraw/zinc/73/84/29/1380738429.db2.gz QSDDOOUEMISULB-OVKVCFKUSA-N 2 1 337.552 3.435 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092232 1380774414 /nfs/dbraw/zinc/77/44/14/1380774414.db2.gz NXEKADVIAWSYMU-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001157118341 1380779528 /nfs/dbraw/zinc/77/95/28/1380779528.db2.gz CREZPRXYKVMWQC-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP C[C@@H]1CN(C(=O)c2ccc3c(c2)C[NH2+]C3)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001157615231 1380982899 /nfs/dbraw/zinc/98/28/99/1380982899.db2.gz DLLQZGNPHLHIHC-SJORKVTESA-N 2 1 349.478 3.025 20 0 EGADMP C[C@@H]1CN(C(=O)c2ccc3c(c2)C[NH2+]C3)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001157615231 1380982906 /nfs/dbraw/zinc/98/29/06/1380982906.db2.gz DLLQZGNPHLHIHC-SJORKVTESA-N 2 1 349.478 3.025 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001157886980 1381061181 /nfs/dbraw/zinc/06/11/81/1381061181.db2.gz NUNXIQXAYKJRRP-HXUWFJFHSA-N 2 1 345.531 3.279 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001157893395 1381062533 /nfs/dbraw/zinc/06/25/33/1381062533.db2.gz FFDFAHRDBWFKQJ-FQEVSTJZSA-N 2 1 343.515 3.033 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001157899065 1381065011 /nfs/dbraw/zinc/06/50/11/1381065011.db2.gz IVUVQZVTDQTDMM-IEBWSBKVSA-N 2 1 331.504 3.025 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCC(C)(C)C)CC[N@H+]1C ZINC001157978155 1381091498 /nfs/dbraw/zinc/09/14/98/1381091498.db2.gz NWFVLPCMZWIEKA-KZNAEPCWSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CCC(C)(C)C)CC[NH+]1C ZINC001157978155 1381091502 /nfs/dbraw/zinc/09/15/02/1381091502.db2.gz NWFVLPCMZWIEKA-KZNAEPCWSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCC(C)(C)C)CC[NH+]1C ZINC001157978155 1381091505 /nfs/dbraw/zinc/09/15/05/1381091505.db2.gz NWFVLPCMZWIEKA-KZNAEPCWSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC(C)C)[NH+](C)C ZINC001158117860 1381133932 /nfs/dbraw/zinc/13/39/32/1381133932.db2.gz LSNPUZFRIPRBGT-QZTJIDSGSA-N 2 1 325.541 3.076 20 0 EGADMP CC[C@H](F)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158228110 1381167219 /nfs/dbraw/zinc/16/72/19/1381167219.db2.gz TUDPHMWINJXTRJ-FUHWJXTLSA-N 2 1 346.450 3.009 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001158353934 1381213350 /nfs/dbraw/zinc/21/33/50/1381213350.db2.gz AZBOEGFLDQBCCU-KRWDZBQOSA-N 2 1 346.519 3.383 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH2+]C[C@@H](C)CC(C)C ZINC001158355063 1381214693 /nfs/dbraw/zinc/21/46/93/1381214693.db2.gz NCYPISQUFBFGRO-DLBZAZTESA-N 2 1 336.524 3.175 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480448 1381261272 /nfs/dbraw/zinc/26/12/72/1381261272.db2.gz MIFXGDFNVYWJSP-GOSISDBHSA-N 2 1 337.552 3.243 20 0 EGADMP CC(C)=CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001158480448 1381261276 /nfs/dbraw/zinc/26/12/76/1381261276.db2.gz MIFXGDFNVYWJSP-GOSISDBHSA-N 2 1 337.552 3.243 20 0 EGADMP CC(C)=CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001158480448 1381261281 /nfs/dbraw/zinc/26/12/81/1381261281.db2.gz MIFXGDFNVYWJSP-GOSISDBHSA-N 2 1 337.552 3.243 20 0 EGADMP CC[C@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001158539770 1381287009 /nfs/dbraw/zinc/28/70/09/1381287009.db2.gz BYYWYEYHAMRAEC-ZWKOTPCHSA-N 2 1 348.535 3.366 20 0 EGADMP CC[C@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001158539770 1381287015 /nfs/dbraw/zinc/28/70/15/1381287015.db2.gz BYYWYEYHAMRAEC-ZWKOTPCHSA-N 2 1 348.535 3.366 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001328281957 1388712866 /nfs/dbraw/zinc/71/28/66/1388712866.db2.gz FEIPJQKKVDEHIL-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001328281957 1388712867 /nfs/dbraw/zinc/71/28/67/1388712867.db2.gz FEIPJQKKVDEHIL-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001328281957 1388712871 /nfs/dbraw/zinc/71/28/71/1388712871.db2.gz FEIPJQKKVDEHIL-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC001158704471 1381360151 /nfs/dbraw/zinc/36/01/51/1381360151.db2.gz LBFHLJPAJMPESO-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC001158704471 1381360155 /nfs/dbraw/zinc/36/01/55/1381360155.db2.gz LBFHLJPAJMPESO-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC001158704471 1381360160 /nfs/dbraw/zinc/36/01/60/1381360160.db2.gz LBFHLJPAJMPESO-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)(C)C ZINC001158767988 1381389412 /nfs/dbraw/zinc/38/94/12/1381389412.db2.gz BWJLCDCEUQUPLM-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CCCCCF ZINC001158781091 1381395772 /nfs/dbraw/zinc/39/57/72/1381395772.db2.gz LELPXVIEOZOVJR-GOSISDBHSA-N 2 1 343.531 3.171 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCCCF ZINC001158781091 1381395773 /nfs/dbraw/zinc/39/57/73/1381395773.db2.gz LELPXVIEOZOVJR-GOSISDBHSA-N 2 1 343.531 3.171 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCCCF ZINC001158781091 1381395780 /nfs/dbraw/zinc/39/57/80/1381395780.db2.gz LELPXVIEOZOVJR-GOSISDBHSA-N 2 1 343.531 3.171 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC1CCC1 ZINC001158872578 1381444967 /nfs/dbraw/zinc/44/49/67/1381444967.db2.gz QHHPRSOMOZCBSW-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC1CCC1 ZINC001158872578 1381444970 /nfs/dbraw/zinc/44/49/70/1381444970.db2.gz QHHPRSOMOZCBSW-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1ccccc1C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001328362049 1388730356 /nfs/dbraw/zinc/73/03/56/1388730356.db2.gz XAFNFHARJJBJNG-ICSRJNTNSA-N 2 1 345.531 3.100 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001159335174 1381768072 /nfs/dbraw/zinc/76/80/72/1381768072.db2.gz UHKUKUXVQHOINJ-UXHICEINSA-N 2 1 343.515 3.034 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001159335042 1381768081 /nfs/dbraw/zinc/76/80/81/1381768081.db2.gz PSCCKRGSLHLNKC-HXUWFJFHSA-N 2 1 343.515 3.034 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1-c1nnc(CN(C)C)o1 ZINC001328433782 1388744887 /nfs/dbraw/zinc/74/48/87/1388744887.db2.gz PFXHKUQMVISVMS-OAHLLOKOSA-N 2 1 344.459 3.051 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1-c1nnc(C[NH+](C)C)o1 ZINC001328433782 1388744891 /nfs/dbraw/zinc/74/48/91/1388744891.db2.gz PFXHKUQMVISVMS-OAHLLOKOSA-N 2 1 344.459 3.051 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1-c1nnc(C[NH+](C)C)o1 ZINC001328433782 1388744893 /nfs/dbraw/zinc/74/48/93/1388744893.db2.gz PFXHKUQMVISVMS-OAHLLOKOSA-N 2 1 344.459 3.051 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001159908749 1381934288 /nfs/dbraw/zinc/93/42/88/1381934288.db2.gz JVELLMUQWHRZQN-APWZRJJASA-N 2 1 349.494 3.246 20 0 EGADMP CCc1ccc(C[NH2+]CCCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001159909789 1381934309 /nfs/dbraw/zinc/93/43/09/1381934309.db2.gz NINKJLPLJRXTEC-FQEVSTJZSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC001159908740 1381934761 /nfs/dbraw/zinc/93/47/61/1381934761.db2.gz JLFSYGIXUSKZOP-PKOBYXMFSA-N 2 1 331.504 3.106 20 0 EGADMP O=C(NCCC[NH2+]CCCC1CCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159915781 1381936446 /nfs/dbraw/zinc/93/64/46/1381936446.db2.gz NUTWSDVJYPLJMO-IBGZPJMESA-N 2 1 335.536 3.070 20 0 EGADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC001159916721 1381936733 /nfs/dbraw/zinc/93/67/33/1381936733.db2.gz RFCBCUPOGBONHU-FXAWDEMLSA-N 2 1 343.515 3.251 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131027 1382008240 /nfs/dbraw/zinc/00/82/40/1382008240.db2.gz DCMOINIUCHKRCG-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131027 1382008241 /nfs/dbraw/zinc/00/82/41/1382008241.db2.gz DCMOINIUCHKRCG-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001160131027 1382008247 /nfs/dbraw/zinc/00/82/47/1382008247.db2.gz DCMOINIUCHKRCG-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175160 1382024892 /nfs/dbraw/zinc/02/48/92/1382024892.db2.gz CGIWBYXKWJXQNI-YKMDAGRBSA-N 2 1 347.547 3.211 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175160 1382024897 /nfs/dbraw/zinc/02/48/97/1382024897.db2.gz CGIWBYXKWJXQNI-YKMDAGRBSA-N 2 1 347.547 3.211 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175160 1382024901 /nfs/dbraw/zinc/02/49/01/1382024901.db2.gz CGIWBYXKWJXQNI-YKMDAGRBSA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160273099 1382057976 /nfs/dbraw/zinc/05/79/76/1382057976.db2.gz HOANEWBKAJPNSW-IBGZPJMESA-N 2 1 345.531 3.280 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)CC[C@@H]2CCC[N@H+]2C)c1 ZINC001160273350 1382058371 /nfs/dbraw/zinc/05/83/71/1382058371.db2.gz KSMFPGPRSSCOHT-MJGOQNOKSA-N 2 1 331.504 3.026 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001160273034 1382058497 /nfs/dbraw/zinc/05/84/97/1382058497.db2.gz GLFLWUOSGUNEPX-IBGZPJMESA-N 2 1 337.552 3.317 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160501055 1382125294 /nfs/dbraw/zinc/12/52/94/1382125294.db2.gz VPSUUXMGUPJONS-RRFGBZISSA-N 2 1 347.547 3.356 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001160501055 1382125297 /nfs/dbraw/zinc/12/52/97/1382125297.db2.gz VPSUUXMGUPJONS-RRFGBZISSA-N 2 1 347.547 3.356 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001160501055 1382125298 /nfs/dbraw/zinc/12/52/98/1382125298.db2.gz VPSUUXMGUPJONS-RRFGBZISSA-N 2 1 347.547 3.356 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001160501066 1382125807 /nfs/dbraw/zinc/12/58/07/1382125807.db2.gz VTAFJPDVJPDQFJ-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001160501066 1382125811 /nfs/dbraw/zinc/12/58/11/1382125811.db2.gz VTAFJPDVJPDQFJ-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001160501066 1382125814 /nfs/dbraw/zinc/12/58/14/1382125814.db2.gz VTAFJPDVJPDQFJ-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP O=C(NCCC[NH2+]CC1CCCCCC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160869764 1382219870 /nfs/dbraw/zinc/21/98/70/1382219870.db2.gz SMFHNQWYHXTIBO-MOPGFXCFSA-N 2 1 335.536 3.070 20 0 EGADMP Cc1cc(C[N@@H+]2CC=C(CCNC(=O)CCC[NH+](C)C)CC2)cs1 ZINC001161029606 1382277595 /nfs/dbraw/zinc/27/75/95/1382277595.db2.gz OVKRTFOPVRPJDA-UHFFFAOYSA-N 2 1 349.544 3.037 20 0 EGADMP C[NH+](C)CCCC(=O)NCCC1=CC[N@@H+](CCCC2CCCC2)CC1 ZINC001161029673 1382277603 /nfs/dbraw/zinc/27/76/03/1382277603.db2.gz QYDWCEYHSCQJPV-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001161219954 1382346279 /nfs/dbraw/zinc/34/62/79/1382346279.db2.gz RWLOEUCPOOBLPN-SFFCAUCYSA-N 2 1 347.547 3.213 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161219715 1382346990 /nfs/dbraw/zinc/34/69/90/1382346990.db2.gz MJQKBXBQWRTSRJ-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001161219715 1382346993 /nfs/dbraw/zinc/34/69/93/1382346993.db2.gz MJQKBXBQWRTSRJ-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001161219715 1382346998 /nfs/dbraw/zinc/34/69/98/1382346998.db2.gz MJQKBXBQWRTSRJ-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CC(C)([NH2+]C1(Cc2ccccn2)CC[NH2+]CC1)c1ccnc(Cl)c1 ZINC001161497726 1382423451 /nfs/dbraw/zinc/42/34/51/1382423451.db2.gz ZHNLVDCWJUWFDA-UHFFFAOYSA-N 2 1 344.890 3.320 20 0 EGADMP Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cc1C ZINC001161643734 1382468661 /nfs/dbraw/zinc/46/86/61/1382468661.db2.gz ALIWSQIUMGKVRF-FQEVSTJZSA-N 2 1 345.531 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](C(C)C)CC1 ZINC001161678938 1382478567 /nfs/dbraw/zinc/47/85/67/1382478567.db2.gz PFKOCNFAHFBHBJ-LJQANCHMSA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](C(C)C)CC1 ZINC001161678938 1382478568 /nfs/dbraw/zinc/47/85/68/1382478568.db2.gz PFKOCNFAHFBHBJ-LJQANCHMSA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](C(C)C)CC1 ZINC001161678938 1382478570 /nfs/dbraw/zinc/47/85/70/1382478570.db2.gz PFKOCNFAHFBHBJ-LJQANCHMSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)NCCC1=CC[N@H+](C(C)C)CC1 ZINC001161682847 1382479161 /nfs/dbraw/zinc/47/91/61/1382479161.db2.gz AWKXFTCBNSCLMG-UHFFFAOYSA-N 2 1 337.552 3.435 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161705499 1382485693 /nfs/dbraw/zinc/48/56/93/1382485693.db2.gz ULVDJBZJQLHKTE-AZUAARDMSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001161705499 1382485695 /nfs/dbraw/zinc/48/56/95/1382485695.db2.gz ULVDJBZJQLHKTE-AZUAARDMSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161705499 1382485697 /nfs/dbraw/zinc/48/56/97/1382485697.db2.gz ULVDJBZJQLHKTE-AZUAARDMSA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)CC[N@H+](C)CCC)CC1 ZINC001161749806 1382494926 /nfs/dbraw/zinc/49/49/26/1382494926.db2.gz NNNVPUGZCMQRHJ-VOTSOKGWSA-N 2 1 335.536 3.213 20 0 EGADMP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)CCC)CC1 ZINC001161749806 1382494927 /nfs/dbraw/zinc/49/49/27/1382494927.db2.gz NNNVPUGZCMQRHJ-VOTSOKGWSA-N 2 1 335.536 3.213 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)CCC)CC1 ZINC001161749806 1382494932 /nfs/dbraw/zinc/49/49/32/1382494932.db2.gz NNNVPUGZCMQRHJ-VOTSOKGWSA-N 2 1 335.536 3.213 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1=CC[NH+](CC2CCC(C)CC2)CC1 ZINC001161755391 1382496086 /nfs/dbraw/zinc/49/60/86/1382496086.db2.gz VPZOISVZSNWJGG-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP c1cn(-c2cc[nH+]c(NC[C@@H]3CCC[N@H+]3Cc3ccccc3)c2)cn1 ZINC001161885989 1382540707 /nfs/dbraw/zinc/54/07/07/1382540707.db2.gz KUDGWCUWZBEILD-IBGZPJMESA-N 2 1 333.439 3.344 20 0 EGADMP Nc1ccc(NCC2(Cc3ccc(Cl)cc3)CC[NH2+]CC2)[nH+]c1 ZINC001161992135 1382592034 /nfs/dbraw/zinc/59/20/34/1382592034.db2.gz GSKWIKMFQWFRPH-UHFFFAOYSA-N 2 1 330.863 3.342 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)nc1 ZINC001162803698 1382877634 /nfs/dbraw/zinc/87/76/34/1382877634.db2.gz UMUAPWGVCYAHCN-QXCFHYIPSA-N 2 1 326.488 3.205 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)nc1 ZINC001162803696 1382877691 /nfs/dbraw/zinc/87/76/91/1382877691.db2.gz UMUAPWGVCYAHCN-JCHJZTRSSA-N 2 1 326.488 3.205 20 0 EGADMP C[C@@H](Nc1nc(N2CCC([NH3+])CC2)cc[nH+]1)c1cccc(F)c1Cl ZINC001162891065 1382905909 /nfs/dbraw/zinc/90/59/09/1382905909.db2.gz BFJFEXOKWBPYPP-LLVKDONJSA-N 2 1 349.841 3.370 20 0 EGADMP CC[C@@H](C)C[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@@H+](C)CC ZINC001162977334 1382934957 /nfs/dbraw/zinc/93/49/57/1382934957.db2.gz LMKZTUHDCXRCGJ-LJQANCHMSA-N 2 1 347.547 3.035 20 0 EGADMP Cc1cc([NH+]2CCCCC2)ccc1NCc1noc2c1C[NH2+]CC2 ZINC001163134712 1382973939 /nfs/dbraw/zinc/97/39/39/1382973939.db2.gz CBUMFXUKPIOGPG-UHFFFAOYSA-N 2 1 326.444 3.231 20 0 EGADMP COCC[N@@H+](C)[C@H](CNc1cc(N)c(C)c[nH+]1)c1ccc(Cl)cc1 ZINC001163384612 1383038162 /nfs/dbraw/zinc/03/81/62/1383038162.db2.gz LDSRBDAIFHIJNU-QGZVFWFLSA-N 2 1 348.878 3.357 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]Cc2c(C)cccc2C)C1 ZINC001164449963 1383188218 /nfs/dbraw/zinc/18/82/18/1383188218.db2.gz VTJASNXJPYVBMU-IBGZPJMESA-N 2 1 345.531 3.021 20 0 EGADMP CC(C)CCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164500835 1383193677 /nfs/dbraw/zinc/19/36/77/1383193677.db2.gz HTFBQNSAXSLRKW-LJQANCHMSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531583 1383196801 /nfs/dbraw/zinc/19/68/01/1383196801.db2.gz NUQWGVCTEPEDKX-RBUKOAKNSA-N 2 1 349.563 3.173 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CC3CCCCC3)CC2)CC[N@H+]1C ZINC001164582698 1383202140 /nfs/dbraw/zinc/20/21/40/1383202140.db2.gz NLSWTTZKZATNLP-RBUKOAKNSA-N 2 1 349.563 3.173 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)C[C@@H]32)cc1 ZINC001165082897 1383224479 /nfs/dbraw/zinc/22/44/79/1383224479.db2.gz FFKFLYCWYNFIET-CTNGQTDRSA-N 2 1 348.494 3.393 20 0 EGADMP CC[N@H+]([C@@H]1CCOC1)C1CCN(c2ccc3c([nH+]2)CCCC3)CC1 ZINC001165107033 1383229421 /nfs/dbraw/zinc/22/94/21/1383229421.db2.gz DCBBVZKBTWCEOE-GOSISDBHSA-N 2 1 329.488 3.040 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2ccc3c([nH+]2)CCCC3)CC1 ZINC001165107033 1383229423 /nfs/dbraw/zinc/22/94/23/1383229423.db2.gz DCBBVZKBTWCEOE-GOSISDBHSA-N 2 1 329.488 3.040 20 0 EGADMP [NH3+]C1CC2(C1)CCN(c1[nH+]cnc3c1ccn3C1CCCC1)CC2 ZINC001165243290 1383256492 /nfs/dbraw/zinc/25/64/92/1383256492.db2.gz JFCOKZCFUFRNSC-UHFFFAOYSA-N 2 1 325.460 3.254 20 0 EGADMP C[N@H+]1CCC[C@@H](CCNc2nc3cc(Br)ccc3[nH]2)C1 ZINC001165279577 1383264680 /nfs/dbraw/zinc/26/46/80/1383264680.db2.gz WEYRQTOEZGAWHB-NSHDSACASA-N 2 1 337.265 3.469 20 0 EGADMP C[N@@H+]1CCC[C@@H](CCNc2nc3ccc(Br)cc3[nH]2)C1 ZINC001165279577 1383264681 /nfs/dbraw/zinc/26/46/81/1383264681.db2.gz WEYRQTOEZGAWHB-NSHDSACASA-N 2 1 337.265 3.469 20 0 EGADMP C[N@H+]1CCC[C@@H](CCNc2nc3ccc(Br)cc3[nH]2)C1 ZINC001165279577 1383264684 /nfs/dbraw/zinc/26/46/84/1383264684.db2.gz WEYRQTOEZGAWHB-NSHDSACASA-N 2 1 337.265 3.469 20 0 EGADMP CC(C)C[NH2+]CC1(CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001165895504 1383360044 /nfs/dbraw/zinc/36/00/44/1383360044.db2.gz ZYIWOICPTBEXIZ-UHFFFAOYSA-N 2 1 337.552 3.172 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001166751390 1383471564 /nfs/dbraw/zinc/47/15/64/1383471564.db2.gz QCXSIFMIBPUSLF-QGZVFWFLSA-N 2 1 333.520 3.130 20 0 EGADMP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001166842037 1383486532 /nfs/dbraw/zinc/48/65/32/1383486532.db2.gz IHZDOTJYJCZREC-ROUUACIJSA-N 2 1 337.552 3.029 20 0 EGADMP Cc1[nH]c2nc[nH+]c(N3Cc4ccccc4C4(CC[NH2+]CC4)C3)c2c1C ZINC001167161168 1383556221 /nfs/dbraw/zinc/55/62/21/1383556221.db2.gz ZKANZKQBYSHTFH-UHFFFAOYSA-N 2 1 347.466 3.216 20 0 EGADMP c1cn2c([nH+]1)CCN(c1[nH+]c(N3CCCC3)cc3ccccc31)CC2 ZINC001167181297 1383560535 /nfs/dbraw/zinc/56/05/35/1383560535.db2.gz YEEGQDAOTDQDIB-UHFFFAOYSA-N 2 1 333.439 3.094 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001167225398 1383570380 /nfs/dbraw/zinc/57/03/80/1383570380.db2.gz UEEIRHWRQHMOJO-ZWKOTPCHSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCCC2(C[NH2+]CCCC3CCCC3)CC2)C1 ZINC001167232780 1383570894 /nfs/dbraw/zinc/57/08/94/1383570894.db2.gz PMNQJMPCXBYRIX-SFHVURJKSA-N 2 1 349.563 3.175 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167426005 1383631248 /nfs/dbraw/zinc/63/12/48/1383631248.db2.gz NMDVHDGNCFGHBY-QVOQXLMASA-N 2 1 347.547 3.236 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[NH2+]CC1CC2(CCC2)C1 ZINC001167581098 1383677835 /nfs/dbraw/zinc/67/78/35/1383677835.db2.gz SHVPGNVHBMJSBQ-UHFFFAOYSA-N 2 1 346.519 3.073 20 0 EGADMP Cc1cc(C)cc(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001167627923 1383693519 /nfs/dbraw/zinc/69/35/19/1383693519.db2.gz UYNUWMQCVGBIMF-FQEVSTJZSA-N 2 1 345.531 3.162 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCC1(C[NH2+]CC(C)C)CC1)c1ccccc1 ZINC001167711436 1383719522 /nfs/dbraw/zinc/71/95/22/1383719522.db2.gz XYOCVUSGCQQDNI-IBGZPJMESA-N 2 1 345.531 3.212 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCn2cnc(COCC3CC3)c2C1 ZINC001167821574 1383748834 /nfs/dbraw/zinc/74/88/34/1383748834.db2.gz DTINPLZJKZSDLI-QGZVFWFLSA-N 2 1 348.535 3.136 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCn2cnc(COCC3CC3)c2C1 ZINC001167821574 1383748840 /nfs/dbraw/zinc/74/88/40/1383748840.db2.gz DTINPLZJKZSDLI-QGZVFWFLSA-N 2 1 348.535 3.136 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](Oc2cccc(OC)n2)C1 ZINC001167834123 1383753156 /nfs/dbraw/zinc/75/31/56/1383753156.db2.gz HOQGOSNEXZREHN-ZWKOTPCHSA-N 2 1 349.519 3.444 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001167836006 1383754252 /nfs/dbraw/zinc/75/42/52/1383754252.db2.gz NMOIWSZKDNHJQJ-UHFFFAOYSA-N 2 1 349.563 3.175 20 0 EGADMP c1cnc(N2CCCC2)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167967579 1383781282 /nfs/dbraw/zinc/78/12/82/1383781282.db2.gz HOJWBTVNPKVBIM-IHWFROFDSA-N 2 1 340.515 3.177 20 0 EGADMP c1cnc(N2CCCC2)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167967579 1383781287 /nfs/dbraw/zinc/78/12/87/1383781287.db2.gz HOJWBTVNPKVBIM-IHWFROFDSA-N 2 1 340.515 3.177 20 0 EGADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167968910 1383781963 /nfs/dbraw/zinc/78/19/63/1383781963.db2.gz WRFOPVHEDVMTQQ-ZCHBJMIBSA-N 2 1 334.504 3.103 20 0 EGADMP Cc1cnccc1O[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168001348 1383792585 /nfs/dbraw/zinc/79/25/85/1383792585.db2.gz ATHRGXOEISENLO-JIRNRHONSA-N 2 1 341.499 3.249 20 0 EGADMP Cc1cnccc1O[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168001348 1383792590 /nfs/dbraw/zinc/79/25/90/1383792590.db2.gz ATHRGXOEISENLO-JIRNRHONSA-N 2 1 341.499 3.249 20 0 EGADMP Cc1cnccc1O[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168001348 1383792593 /nfs/dbraw/zinc/79/25/93/1383792593.db2.gz ATHRGXOEISENLO-JIRNRHONSA-N 2 1 341.499 3.249 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168044631 1383804419 /nfs/dbraw/zinc/80/44/19/1383804419.db2.gz GILTWZSYOWBMAY-XQPJFTJZSA-N 2 1 329.532 3.452 20 0 EGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168044631 1383804421 /nfs/dbraw/zinc/80/44/21/1383804421.db2.gz GILTWZSYOWBMAY-XQPJFTJZSA-N 2 1 329.532 3.452 20 0 EGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168044631 1383804423 /nfs/dbraw/zinc/80/44/23/1383804423.db2.gz GILTWZSYOWBMAY-XQPJFTJZSA-N 2 1 329.532 3.452 20 0 EGADMP CC(C)CCC[NH2+]CC1(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168290486 1383864223 /nfs/dbraw/zinc/86/42/23/1383864223.db2.gz GBTGBAXJCBSGBM-HDICACEKSA-N 2 1 337.552 3.172 20 0 EGADMP CCC/C=C/CC[NH2+]CC1(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168290904 1383865307 /nfs/dbraw/zinc/86/53/07/1383865307.db2.gz NNJITCQOSLLCLJ-SMJNTDKHSA-N 2 1 349.563 3.482 20 0 EGADMP CC(C)[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)OCc1ccccc1 ZINC001168297797 1383866511 /nfs/dbraw/zinc/86/65/11/1383866511.db2.gz MADVKBWBOXZLFK-ACBHZAAOSA-N 2 1 332.488 3.217 20 0 EGADMP CC(C)[NH+]1CC(Nc2nccc3c2CC[N@H+](Cc2ccccc2)C3)C1 ZINC001168313240 1383870897 /nfs/dbraw/zinc/87/08/97/1383870897.db2.gz OQHSBZZHRKPZGH-UHFFFAOYSA-N 2 1 336.483 3.144 20 0 EGADMP CC(C)[NH+]1CC(Nc2nccc3c2CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001168313240 1383870899 /nfs/dbraw/zinc/87/08/99/1383870899.db2.gz OQHSBZZHRKPZGH-UHFFFAOYSA-N 2 1 336.483 3.144 20 0 EGADMP C[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)[C@H](C)CN1Cc1ccccc1 ZINC001168330232 1383875112 /nfs/dbraw/zinc/87/51/12/1383875112.db2.gz NOICXJYYXIJHSW-IGBVOLGGSA-N 2 1 329.532 3.454 20 0 EGADMP Cc1ccc(C[NH2+]CC2(CCNC(=O)C[N@H+](C)C(C)C)CC2)cc1C ZINC001168344980 1383878979 /nfs/dbraw/zinc/87/89/79/1383878979.db2.gz INXRBIAARLMBEF-UHFFFAOYSA-N 2 1 345.531 3.020 20 0 EGADMP CC(=O)OC[C@H]1CCC2(C1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168395187 1383895312 /nfs/dbraw/zinc/89/53/12/1383895312.db2.gz PLUNJHCEIOGVOS-IBGZPJMESA-N 2 1 348.531 3.306 20 0 EGADMP COc1ccc([C@@H]2C[C@@H]([N@H+]3CCC4(C3)CC[NH+](C)CC4)CCO2)cc1 ZINC001168666898 1383964584 /nfs/dbraw/zinc/96/45/84/1383964584.db2.gz YMLUWPYBKXLZIC-ICSRJNTNSA-N 2 1 344.499 3.333 20 0 EGADMP [NH3+][C@H]1CCc2nn(-c3cc[nH+]c4ccc(C(F)(F)F)cc43)cc2C1 ZINC001168819396 1384017396 /nfs/dbraw/zinc/01/73/96/1384017396.db2.gz FVUWRENJNDTCMD-LBPRGKRZSA-N 2 1 332.329 3.255 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H]2COC3(CCCCC3)O2)cc1 ZINC001168839786 1384028221 /nfs/dbraw/zinc/02/82/21/1384028221.db2.gz WXJJXWKTSASPLC-IBGZPJMESA-N 2 1 332.488 3.256 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)C2 ZINC001169100289 1384107602 /nfs/dbraw/zinc/10/76/02/1384107602.db2.gz IIYNNDRBHLSCME-MCYUEQNJSA-N 2 1 329.271 3.242 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)C2 ZINC001169100289 1384107603 /nfs/dbraw/zinc/10/76/03/1384107603.db2.gz IIYNNDRBHLSCME-MCYUEQNJSA-N 2 1 329.271 3.242 20 0 EGADMP COc1ccc(CC2([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCOCC2)cc1 ZINC001169115299 1384109009 /nfs/dbraw/zinc/10/90/09/1384109009.db2.gz IHYQJWNKDOVIHN-REPLKXPHSA-N 2 1 344.499 3.002 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CC(C)(C)C)CC1)C2 ZINC001169115353 1384109328 /nfs/dbraw/zinc/10/93/28/1384109328.db2.gz JELDUUCCAJIDNE-JQALIZKVSA-N 2 1 335.536 3.065 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cnn3ccccc23)cc1F ZINC001308220384 1384109823 /nfs/dbraw/zinc/10/98/23/1384109823.db2.gz VDYDTIJAAQXIIG-UHFFFAOYSA-N 2 1 335.386 3.257 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCCCC1)C2 ZINC001169124997 1384110242 /nfs/dbraw/zinc/11/02/42/1384110242.db2.gz VZVSRLZKSWZPDN-BJWYYQGGSA-N 2 1 336.520 3.493 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129865 1384111324 /nfs/dbraw/zinc/11/13/24/1384111324.db2.gz LDAJMWWWSMYRGW-NHAYFPRASA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129865 1384111327 /nfs/dbraw/zinc/11/13/27/1384111327.db2.gz LDAJMWWWSMYRGW-NHAYFPRASA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129865 1384111330 /nfs/dbraw/zinc/11/13/30/1384111330.db2.gz LDAJMWWWSMYRGW-NHAYFPRASA-N 2 1 349.519 3.087 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169139348 1384112392 /nfs/dbraw/zinc/11/23/92/1384112392.db2.gz BGVMFSBODMRJQC-AERCQKQUSA-N 2 1 327.516 3.208 20 0 EGADMP C[NH+](Cc1ccccc1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169139348 1384112394 /nfs/dbraw/zinc/11/23/94/1384112394.db2.gz BGVMFSBODMRJQC-AERCQKQUSA-N 2 1 327.516 3.208 20 0 EGADMP C[NH+](Cc1ccccc1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169139348 1384112396 /nfs/dbraw/zinc/11/23/96/1384112396.db2.gz BGVMFSBODMRJQC-AERCQKQUSA-N 2 1 327.516 3.208 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001308259696 1384113590 /nfs/dbraw/zinc/11/35/90/1384113590.db2.gz AIHJTIUILKSSBQ-HNNXBMFYSA-N 2 1 332.879 3.266 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001308259696 1384113593 /nfs/dbraw/zinc/11/35/93/1384113593.db2.gz AIHJTIUILKSSBQ-HNNXBMFYSA-N 2 1 332.879 3.266 20 0 EGADMP CCN1CCC([N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169240476 1384126576 /nfs/dbraw/zinc/12/65/76/1384126576.db2.gz JEKIQPHSVMAYAU-WGSAOQKQSA-N 2 1 345.531 3.251 20 0 EGADMP CC[NH+]1CCC([N@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169240476 1384126579 /nfs/dbraw/zinc/12/65/79/1384126579.db2.gz JEKIQPHSVMAYAU-WGSAOQKQSA-N 3 1 345.531 3.251 20 0 EGADMP CC[NH+]1CCC([N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169240476 1384126581 /nfs/dbraw/zinc/12/65/81/1384126581.db2.gz JEKIQPHSVMAYAU-WGSAOQKQSA-N 3 1 345.531 3.251 20 0 EGADMP CC[C@H]1[N@@H+](C2CC[NH+](CC)CC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001169253859 1384127776 /nfs/dbraw/zinc/12/77/76/1384127776.db2.gz LWYJTIAEGNVJSR-CTNGQTDRSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@H]1[N@H+](C2CC[NH+](CC)CC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001169253859 1384127778 /nfs/dbraw/zinc/12/77/78/1384127778.db2.gz LWYJTIAEGNVJSR-CTNGQTDRSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCC([N@H+](C)C2(C)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001169262364 1384128930 /nfs/dbraw/zinc/12/89/30/1384128930.db2.gz ZLXSMJIMSPTQQL-UHFFFAOYSA-N 2 1 339.524 3.192 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)C2(C)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001169262364 1384128932 /nfs/dbraw/zinc/12/89/32/1384128932.db2.gz ZLXSMJIMSPTQQL-UHFFFAOYSA-N 2 1 339.524 3.192 20 0 EGADMP CC[NH+]1CCC([N@@H+]2CCCC[C@H]2[C@@H](C(=O)OC)c2ccccc2)CC1 ZINC001169261161 1384129033 /nfs/dbraw/zinc/12/90/33/1384129033.db2.gz BGCPVWOMWXJIFT-PMACEKPBSA-N 2 1 344.499 3.282 20 0 EGADMP CC[NH+]1CCC([N@H+]2CCCC[C@H]2[C@@H](C(=O)OC)c2ccccc2)CC1 ZINC001169261161 1384129035 /nfs/dbraw/zinc/12/90/35/1384129035.db2.gz BGCPVWOMWXJIFT-PMACEKPBSA-N 2 1 344.499 3.282 20 0 EGADMP CC[NH+]1CCC(N2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169262375 1384129099 /nfs/dbraw/zinc/12/90/99/1384129099.db2.gz ZUUNDVPVLWMHKJ-JOCHJYFZSA-N 2 1 341.543 3.459 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169291246 1384132881 /nfs/dbraw/zinc/13/28/81/1384132881.db2.gz WKKPXQQTTOSHGJ-HJZRJOMTSA-N 2 1 330.472 3.084 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169291246 1384132883 /nfs/dbraw/zinc/13/28/83/1384132883.db2.gz WKKPXQQTTOSHGJ-HJZRJOMTSA-N 2 1 330.472 3.084 20 0 EGADMP C[C@H](CCCC[NH2+]C/C=C\c1ccccc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169797913 1384186955 /nfs/dbraw/zinc/18/69/55/1384186955.db2.gz KWRWYGLNMRWAMZ-OJECNVDMSA-N 2 1 343.515 3.059 20 0 EGADMP c1ncc(CCNc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)s1 ZINC001169866729 1384193163 /nfs/dbraw/zinc/19/31/63/1384193163.db2.gz KGRKYFYQZOAHIG-HNNXBMFYSA-N 2 1 341.484 3.462 20 0 EGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169954463 1384203871 /nfs/dbraw/zinc/20/38/71/1384203871.db2.gz ATHSEHIHDZFEGU-VQTJNVASSA-N 2 1 344.499 3.126 20 0 EGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169954463 1384203875 /nfs/dbraw/zinc/20/38/75/1384203875.db2.gz ATHSEHIHDZFEGU-VQTJNVASSA-N 2 1 344.499 3.126 20 0 EGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169954463 1384203879 /nfs/dbraw/zinc/20/38/79/1384203879.db2.gz ATHSEHIHDZFEGU-VQTJNVASSA-N 2 1 344.499 3.126 20 0 EGADMP CC(C)[C@@H](Nc1cc[nH+]c(N2CCC([NH3+])CC2)n1)c1ccc(F)cc1 ZINC001170063203 1384227420 /nfs/dbraw/zinc/22/74/20/1384227420.db2.gz NTOLLWYHXPEGBM-GOSISDBHSA-N 2 1 343.450 3.352 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170529321 1384336173 /nfs/dbraw/zinc/33/61/73/1384336173.db2.gz KGZNBQKEMYNCQS-WTGUMLROSA-N 2 1 344.499 3.409 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170527523 1384336221 /nfs/dbraw/zinc/33/62/21/1384336221.db2.gz ZFYRYJWVDQJBMN-VDHUWJSZSA-N 2 1 348.462 3.239 20 0 EGADMP [NH3+]C1(c2cccnc2)CC[NH+]([C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170677370 1384363555 /nfs/dbraw/zinc/36/35/55/1384363555.db2.gz OKQYIDWRTYUPRQ-KRWDZBQOSA-N 2 1 343.421 3.167 20 0 EGADMP CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OCc3ccccc3)C[C@@H]21 ZINC001170724761 1384373875 /nfs/dbraw/zinc/37/38/75/1384373875.db2.gz PYKQFWSUXOTNDW-OKYOBFRVSA-N 2 1 344.499 3.252 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001170749890 1384377452 /nfs/dbraw/zinc/37/74/52/1384377452.db2.gz DHDADQJLWYBZHE-ROUUACIJSA-N 2 1 325.541 3.170 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCCCF ZINC001170749626 1384377671 /nfs/dbraw/zinc/37/76/71/1384377671.db2.gz AEWWXPSXYMEWFB-MSOLQXFVSA-N 2 1 343.531 3.264 20 0 EGADMP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170795295 1384387051 /nfs/dbraw/zinc/38/70/51/1384387051.db2.gz JWKNKBSRUORANQ-ROUUACIJSA-N 2 1 337.552 3.316 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3CCCOCC3)C[C@H]21 ZINC001170823467 1384391832 /nfs/dbraw/zinc/39/18/32/1384391832.db2.gz UUKBACQQSWTSPK-GFOJFJKKSA-N 2 1 343.515 3.183 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3CCCOCC3)C[C@H]21 ZINC001170823467 1384391835 /nfs/dbraw/zinc/39/18/35/1384391835.db2.gz UUKBACQQSWTSPK-GFOJFJKKSA-N 2 1 343.515 3.183 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCCOCC3)C[C@H]21 ZINC001170823467 1384391840 /nfs/dbraw/zinc/39/18/40/1384391840.db2.gz UUKBACQQSWTSPK-GFOJFJKKSA-N 2 1 343.515 3.183 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCCOCC3)C[C@H]21 ZINC001170823467 1384391843 /nfs/dbraw/zinc/39/18/43/1384391843.db2.gz UUKBACQQSWTSPK-GFOJFJKKSA-N 2 1 343.515 3.183 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170848881 1384397682 /nfs/dbraw/zinc/39/76/82/1384397682.db2.gz JJFXYUYYDWKEBJ-MRXNPFEDSA-N 2 1 334.261 3.101 20 0 EGADMP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170862184 1384400841 /nfs/dbraw/zinc/40/08/41/1384400841.db2.gz JQZHWNFYNPBJAJ-QWFCFKBJSA-N 2 1 345.531 3.100 20 0 EGADMP CCCCCC[NH2+]CCCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001170867533 1384401237 /nfs/dbraw/zinc/40/12/37/1384401237.db2.gz JUNXDXWHHSWYGW-IBGZPJMESA-N 2 1 333.520 3.356 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH2+]Cc1ccsc1)c1ccccc1 ZINC001170869008 1384401940 /nfs/dbraw/zinc/40/19/40/1384401940.db2.gz YREOOCGOHVRMMU-SFHVURJKSA-N 2 1 345.512 3.037 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C ZINC001171119906 1384449397 /nfs/dbraw/zinc/44/93/97/1384449397.db2.gz KOVDKPQKFXILSQ-QZTJIDSGSA-N 2 1 325.541 3.172 20 0 EGADMP Cc1[nH+]ccn1-c1cc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)ncn1 ZINC001171167463 1384458915 /nfs/dbraw/zinc/45/89/15/1384458915.db2.gz ZJUGJWUXEQYHMW-CQSZACIVSA-N 2 1 346.438 3.113 20 0 EGADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001171247706 1384477532 /nfs/dbraw/zinc/47/75/32/1384477532.db2.gz NLTVMIDQMPNYCG-MSOLQXFVSA-N 2 1 325.541 3.170 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171248233 1384478145 /nfs/dbraw/zinc/47/81/45/1384478145.db2.gz RAUDWGJYMJRSKU-AEFFLSMTSA-N 2 1 348.535 3.461 20 0 EGADMP C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171317021 1384493542 /nfs/dbraw/zinc/49/35/42/1384493542.db2.gz CTIGKWGGHIYHTC-AZUAARDMSA-N 2 1 345.531 3.326 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CCN([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171439079 1384523967 /nfs/dbraw/zinc/52/39/67/1384523967.db2.gz WBSPYIRXABMEJC-OALUTQOASA-N 2 1 346.490 3.258 20 0 EGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171439079 1384523968 /nfs/dbraw/zinc/52/39/68/1384523968.db2.gz WBSPYIRXABMEJC-OALUTQOASA-N 2 1 346.490 3.258 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171439079 1384523970 /nfs/dbraw/zinc/52/39/70/1384523970.db2.gz WBSPYIRXABMEJC-OALUTQOASA-N 2 1 346.490 3.258 20 0 EGADMP Fc1cc2c(c(F)c1F)C[C@H]([NH+]1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001171531373 1384553086 /nfs/dbraw/zinc/55/30/86/1384553086.db2.gz YDKFPIAQBLWNQF-OAHLLOKOSA-N 2 1 347.384 3.178 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171537425 1384555288 /nfs/dbraw/zinc/55/52/88/1384555288.db2.gz CFHBETSSSVHWSC-FNYRVFDFSA-N 2 1 337.552 3.482 20 0 EGADMP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171548003 1384559713 /nfs/dbraw/zinc/55/97/13/1384559713.db2.gz ZKANIUUBVCGYNC-ZWKOTPCHSA-N 2 1 325.541 3.316 20 0 EGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)cc1 ZINC001171666704 1384595331 /nfs/dbraw/zinc/59/53/31/1384595331.db2.gz PHZRTRLVGZSIPK-GHTZIAJQSA-N 2 1 330.516 3.407 20 0 EGADMP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)cc1 ZINC001171666704 1384595334 /nfs/dbraw/zinc/59/53/34/1384595334.db2.gz PHZRTRLVGZSIPK-GHTZIAJQSA-N 2 1 330.516 3.407 20 0 EGADMP Cc1ncn([C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1CSCC[NH3+] ZINC001171728936 1384615609 /nfs/dbraw/zinc/61/56/09/1384615609.db2.gz SFMCMCJARIYNTG-QAPCUYQASA-N 2 1 344.528 3.219 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001171732092 1384617726 /nfs/dbraw/zinc/61/77/26/1384617726.db2.gz UTMMAKUWQITKCE-KRWDZBQOSA-N 2 1 345.531 3.064 20 0 EGADMP C[C@H]1C[C@H](N2CCC([NH+]3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171746931 1384624369 /nfs/dbraw/zinc/62/43/69/1384624369.db2.gz UVTQROYTMXWQSX-RXVVDRJESA-N 2 1 327.516 3.210 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)[C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171787246 1384636633 /nfs/dbraw/zinc/63/66/33/1384636633.db2.gz IGRIVEOGDJGJJG-WDSOQIARSA-N 2 1 339.458 3.460 20 0 EGADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171829207 1384652914 /nfs/dbraw/zinc/65/29/14/1384652914.db2.gz VEYKZPNLGRABMR-INIZCTEOSA-N 2 1 339.524 3.368 20 0 EGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171872075 1384666737 /nfs/dbraw/zinc/66/67/37/1384666737.db2.gz WAUDXPLUNHEHAC-AABGKKOBSA-N 2 1 343.515 3.144 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001171965367 1384697493 /nfs/dbraw/zinc/69/74/93/1384697493.db2.gz QUMYFAIEAFENEV-AWEZNQCLSA-N 2 1 344.421 3.337 20 0 EGADMP CC1(C)C[C@H]([NH2+]C[C@@H](O)c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC001171984466 1384703473 /nfs/dbraw/zinc/70/34/73/1384703473.db2.gz VYQQPBZDHQDQGH-WOJBJXKFSA-N 2 1 339.483 3.148 20 0 EGADMP C[NH+]1CC2(C1)CCN([C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171987391 1384705581 /nfs/dbraw/zinc/70/55/81/1384705581.db2.gz UOKWPAZIMPIUDY-HXUWFJFHSA-N 2 1 341.543 3.457 20 0 EGADMP CCN1CC[C@@H]([N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001172040497 1384712552 /nfs/dbraw/zinc/71/25/52/1384712552.db2.gz XRSWAHKGZNVQTP-VAMGGRTRSA-N 2 1 343.515 3.078 20 0 EGADMP O[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172064523 1384714479 /nfs/dbraw/zinc/71/44/79/1384714479.db2.gz GSFJRJIDWAGHSP-GZYGRNMYSA-N 2 1 328.500 3.465 20 0 EGADMP O[C@@H](C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccco1 ZINC001172063744 1384714886 /nfs/dbraw/zinc/71/48/86/1384714886.db2.gz CDYRTHSMQPLVIH-YRPNKDGESA-N 2 1 340.467 3.488 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](NCC[NH+]2CCCC2)C3)cc1 ZINC001172064014 1384715001 /nfs/dbraw/zinc/71/50/01/1384715001.db2.gz DEABKOZONPZLDI-WKCHPHFGSA-N 2 1 327.516 3.258 20 0 EGADMP COC(=O)CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067841 1384716882 /nfs/dbraw/zinc/71/68/82/1384716882.db2.gz OETNDNGTLVOIGD-LDLYASANSA-N 2 1 330.472 3.115 20 0 EGADMP c1nnc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC001172070647 1384718257 /nfs/dbraw/zinc/71/82/57/1384718257.db2.gz QVMREOLOWVRLFU-NNZMDNLPSA-N 2 1 342.512 3.256 20 0 EGADMP Cn1cnc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172069990 1384718989 /nfs/dbraw/zinc/71/89/89/1384718989.db2.gz ZICVAOYTQJTRQT-WKCHPHFGSA-N 2 1 338.499 3.138 20 0 EGADMP OC[C@@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172078982 1384721903 /nfs/dbraw/zinc/72/19/03/1384721903.db2.gz KPHAOTCWHXKEFT-JSXRDJHFSA-N 2 1 328.500 3.419 20 0 EGADMP OC[C@@H]1CCCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172078982 1384721904 /nfs/dbraw/zinc/72/19/04/1384721904.db2.gz KPHAOTCWHXKEFT-JSXRDJHFSA-N 2 1 328.500 3.419 20 0 EGADMP OC[C@@H]1CCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172078982 1384721905 /nfs/dbraw/zinc/72/19/05/1384721905.db2.gz KPHAOTCWHXKEFT-JSXRDJHFSA-N 2 1 328.500 3.419 20 0 EGADMP OC[C@@H]1CCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172078982 1384721906 /nfs/dbraw/zinc/72/19/06/1384721906.db2.gz KPHAOTCWHXKEFT-JSXRDJHFSA-N 2 1 328.500 3.419 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1c(Br)cccc1C[NH3+])C2 ZINC001172110522 1384730123 /nfs/dbraw/zinc/73/01/23/1384730123.db2.gz OCAAJBGAOUCUFZ-ZSOGYDGISA-N 2 1 338.293 3.335 20 0 EGADMP Cc1cccc(C2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCOCC2)n1 ZINC001172112065 1384730136 /nfs/dbraw/zinc/73/01/36/1384730136.db2.gz RBPABHVAAUPWEE-REPLKXPHSA-N 2 1 343.515 3.043 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@@](C)(NC(=O)OC(C)(C)C)C1)C2 ZINC001172110508 1384730312 /nfs/dbraw/zinc/73/03/12/1384730312.db2.gz NUEPMLWXIHNINZ-JZTJBUJKSA-N 2 1 337.508 3.037 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@@](C)(NC(=O)OC(C)(C)C)C1)C2 ZINC001172110508 1384730315 /nfs/dbraw/zinc/73/03/15/1384730315.db2.gz NUEPMLWXIHNINZ-JZTJBUJKSA-N 2 1 337.508 3.037 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H](N[C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001172113697 1384730454 /nfs/dbraw/zinc/73/04/54/1384730454.db2.gz JBAGHDCQAHPABF-BURNTYAHSA-N 2 1 327.516 3.174 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172113697 1384730456 /nfs/dbraw/zinc/73/04/56/1384730456.db2.gz JBAGHDCQAHPABF-BURNTYAHSA-N 2 1 327.516 3.174 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172113697 1384730460 /nfs/dbraw/zinc/73/04/60/1384730460.db2.gz JBAGHDCQAHPABF-BURNTYAHSA-N 2 1 327.516 3.174 20 0 EGADMP COc1ccc2c(c1)SC[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172114761 1384731623 /nfs/dbraw/zinc/73/16/23/1384731623.db2.gz SVQAEWRPFRCCKP-NXOAAHMSSA-N 2 1 332.513 3.317 20 0 EGADMP COc1ccc2c(c1)SC[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172114761 1384731626 /nfs/dbraw/zinc/73/16/26/1384731626.db2.gz SVQAEWRPFRCCKP-NXOAAHMSSA-N 2 1 332.513 3.317 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172121647 1384734180 /nfs/dbraw/zinc/73/41/80/1384734180.db2.gz RQOQNOVQYRYNPN-NHAYFPRASA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172121647 1384734186 /nfs/dbraw/zinc/73/41/86/1384734186.db2.gz RQOQNOVQYRYNPN-NHAYFPRASA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172121647 1384734189 /nfs/dbraw/zinc/73/41/89/1384734189.db2.gz RQOQNOVQYRYNPN-NHAYFPRASA-N 2 1 349.519 3.087 20 0 EGADMP CC(C)OCC[NH+](CCOC(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123081 1384734622 /nfs/dbraw/zinc/73/46/22/1384734622.db2.gz XLYDLRCTFHGNHP-REPLKXPHSA-N 2 1 326.525 3.154 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(NC(=O)C3CCCCC3)CC1)C2 ZINC001172130511 1384738199 /nfs/dbraw/zinc/73/81/99/1384738199.db2.gz PEOYGEXNFICZOF-PMOLBWCYSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(NC(=O)C3CCCCC3)CC1)C2 ZINC001172130511 1384738200 /nfs/dbraw/zinc/73/82/00/1384738200.db2.gz PEOYGEXNFICZOF-PMOLBWCYSA-N 2 1 347.547 3.163 20 0 EGADMP Cc1ccnc(OC2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001172133990 1384738661 /nfs/dbraw/zinc/73/86/61/1384738661.db2.gz VNZYOXALBHOGKG-PIIMJCKOSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1ccnc(OC2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172133990 1384738665 /nfs/dbraw/zinc/73/86/65/1384738665.db2.gz VNZYOXALBHOGKG-PIIMJCKOSA-N 2 1 329.488 3.249 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H](Oc3ccc(C)cc3)C2)CC1 ZINC001172253695 1384756826 /nfs/dbraw/zinc/75/68/26/1384756826.db2.gz AUZCZIITWXASMD-NRFANRHFSA-N 2 1 346.515 3.339 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H](Oc3ccc(C)cc3)C2)CC1 ZINC001172253695 1384756842 /nfs/dbraw/zinc/75/68/42/1384756842.db2.gz AUZCZIITWXASMD-NRFANRHFSA-N 2 1 346.515 3.339 20 0 EGADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001172356101 1384776246 /nfs/dbraw/zinc/77/62/46/1384776246.db2.gz XMISKCIOSABONZ-LNLFQRSKSA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001172356101 1384776248 /nfs/dbraw/zinc/77/62/48/1384776248.db2.gz XMISKCIOSABONZ-LNLFQRSKSA-N 2 1 326.525 3.155 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@H](C[N@@H+](C)CCC3CCCC3)C2)CCC1 ZINC001317036288 1384806757 /nfs/dbraw/zinc/80/67/57/1384806757.db2.gz CGEWFIODXFWBEU-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[C@H]1C[C@H]([NH2+]C(C)(C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172622850 1384820977 /nfs/dbraw/zinc/82/09/77/1384820977.db2.gz OLBBJXBIAFPVQS-CABCVRRESA-N 2 1 327.513 3.272 20 0 EGADMP CCCC[C@@H]1C[C@H]([NH2+]C(C)(C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172622853 1384821197 /nfs/dbraw/zinc/82/11/97/1384821197.db2.gz OLBBJXBIAFPVQS-HUUCEWRRSA-N 2 1 327.513 3.272 20 0 EGADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001172778455 1384849540 /nfs/dbraw/zinc/84/95/40/1384849540.db2.gz MJODJRZSJIQNGT-MAUKXSAKSA-N 2 1 348.462 3.197 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001172792956 1384853243 /nfs/dbraw/zinc/85/32/43/1384853243.db2.gz VMBHZUSMEXKRPL-GUDVDZBRSA-N 2 1 336.520 3.449 20 0 EGADMP C[NH+](C)C1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CCCC2)CCC1 ZINC001317093893 1384855381 /nfs/dbraw/zinc/85/53/81/1384855381.db2.gz GSLQOMTUUBHHDC-YQQQUEKLSA-N 2 1 347.547 3.163 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H](N(c2cccc(C)[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001172804256 1384856082 /nfs/dbraw/zinc/85/60/82/1384856082.db2.gz UCWOIMKQEASUIJ-IAGOWNOFSA-N 2 1 345.487 3.070 20 0 EGADMP CC[NH+]1CCC([N@H+](C)C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172818988 1384858245 /nfs/dbraw/zinc/85/82/45/1384858245.db2.gz YPPJCOOYMNBCRK-JWTNVVGKSA-N 2 1 349.519 3.109 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172818988 1384858252 /nfs/dbraw/zinc/85/82/52/1384858252.db2.gz YPPJCOOYMNBCRK-JWTNVVGKSA-N 2 1 349.519 3.109 20 0 EGADMP [NH3+]C1(c2cccnc2)CC[NH+](C2CCC3(CCOCC3)CC2)CC1 ZINC001173044763 1384899193 /nfs/dbraw/zinc/89/91/93/1384899193.db2.gz JGGGMAYMZCFPLM-UHFFFAOYSA-N 2 1 329.488 3.071 20 0 EGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001173081969 1384910340 /nfs/dbraw/zinc/91/03/40/1384910340.db2.gz HZSOAFGNJZTYHC-ZFWWWQNUSA-N 2 1 330.394 3.448 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)CC1 ZINC001173108316 1384916058 /nfs/dbraw/zinc/91/60/58/1384916058.db2.gz BGPSPGJYXZBEQL-LMPOIIKSSA-N 2 1 336.442 3.275 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)CC1 ZINC001173108337 1384916256 /nfs/dbraw/zinc/91/62/56/1384916256.db2.gz CDRJRCMOPFOXRT-GPANFISMSA-N 2 1 336.442 3.419 20 0 EGADMP c1csc(C[NH+]2C[C@@H]3C[NH+]([C@@H]4CCc5ncsc5C4)C[C@H]3C2)c1 ZINC001173133285 1384920508 /nfs/dbraw/zinc/92/05/08/1384920508.db2.gz NFBIMJWAZNMOHN-RBSFLKMASA-N 2 1 345.537 3.126 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@H+]2CCCC2CCCC2)CCC1 ZINC001317174946 1384945066 /nfs/dbraw/zinc/94/50/66/1384945066.db2.gz WVDXMSQEDSBCOZ-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H]1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OCc2ccccc2)C1 ZINC001173264216 1384947277 /nfs/dbraw/zinc/94/72/77/1384947277.db2.gz RLPNDEAQYFJSDC-NEWSRXKRSA-N 2 1 332.488 3.396 20 0 EGADMP CCC[N@@H+](CCC[NH3+])C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173410739 1384967565 /nfs/dbraw/zinc/96/75/65/1384967565.db2.gz PRNFZZRRLTWQAY-UHFFFAOYSA-N 2 1 337.895 3.005 20 0 EGADMP COC(=O)CCCC[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001173440507 1384970566 /nfs/dbraw/zinc/97/05/66/1384970566.db2.gz IGKCWJUPFJLBMG-SFHVURJKSA-N 2 1 346.515 3.405 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001173654714 1384996888 /nfs/dbraw/zinc/99/68/88/1384996888.db2.gz SSTLGYPHVBVVRN-CEXWTWQISA-N 2 1 336.520 3.449 20 0 EGADMP C[C@@H](c1cccc2ccccc21)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317443197 1385144725 /nfs/dbraw/zinc/14/47/25/1385144725.db2.gz NASGUYNYBATUOA-OXJNMPFZSA-N 2 1 339.483 3.043 20 0 EGADMP C[C@@H](c1cccc2ccccc21)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001317443197 1385144727 /nfs/dbraw/zinc/14/47/27/1385144727.db2.gz NASGUYNYBATUOA-OXJNMPFZSA-N 2 1 339.483 3.043 20 0 EGADMP C[C@@H](c1cccc2ccccc21)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001317443197 1385144729 /nfs/dbraw/zinc/14/47/29/1385144729.db2.gz NASGUYNYBATUOA-OXJNMPFZSA-N 2 1 339.483 3.043 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCC2CC2)C1 ZINC001174882604 1385164776 /nfs/dbraw/zinc/16/47/76/1385164776.db2.gz UPMGDIQVZVJGRI-MJGOQNOKSA-N 2 1 337.552 3.173 20 0 EGADMP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174906724 1385168660 /nfs/dbraw/zinc/16/86/60/1385168660.db2.gz WWMBDNJCDBKXIL-CNGCZUSVSA-N 2 1 337.552 3.338 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175263788 1385234345 /nfs/dbraw/zinc/23/43/45/1385234345.db2.gz RINFPEMZFSKPNO-MSOLQXFVSA-N 2 1 349.563 3.173 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175295524 1385242326 /nfs/dbraw/zinc/24/23/26/1385242326.db2.gz GLRORZVRHWMMRO-INIZCTEOSA-N 2 1 325.541 3.029 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001175574528 1385336508 /nfs/dbraw/zinc/33/65/08/1385336508.db2.gz XOFZPBUKCMJZHA-HKUYNNGSSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC001335970470 1388979578 /nfs/dbraw/zinc/97/95/78/1388979578.db2.gz JHGJWUSQFCEOJH-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CCCN(C(=O)C[NH+](C)CCC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001317769724 1385460110 /nfs/dbraw/zinc/46/01/10/1385460110.db2.gz JCEZTNDCFYQMHD-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP CCCN(C(=O)C[N@H+](C)CCC)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001317769724 1385460114 /nfs/dbraw/zinc/46/01/14/1385460114.db2.gz JCEZTNDCFYQMHD-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CCC)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001317769724 1385460116 /nfs/dbraw/zinc/46/01/16/1385460116.db2.gz JCEZTNDCFYQMHD-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+][C@H]1CCc2ccccc21 ZINC001176022669 1385463420 /nfs/dbraw/zinc/46/34/20/1385463420.db2.gz CKBXAGUTGHZATL-XLIONFOSSA-N 2 1 345.531 3.280 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCC1=CCCCC1 ZINC001176023012 1385463686 /nfs/dbraw/zinc/46/36/86/1385463686.db2.gz FOCMFRKZIKIOKS-GOSISDBHSA-N 2 1 337.552 3.483 20 0 EGADMP CCc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)CC)cc1 ZINC001176023895 1385464115 /nfs/dbraw/zinc/46/41/15/1385464115.db2.gz LIIGIBUWVUSIQU-SFHVURJKSA-N 2 1 347.547 3.355 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176164340 1385499883 /nfs/dbraw/zinc/49/98/83/1385499883.db2.gz ARXNNZDLXXGMOO-IRXDYDNUSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176164679 1385500241 /nfs/dbraw/zinc/50/02/41/1385500241.db2.gz DCSPLGQKNUMWKE-ZWKOTPCHSA-N 2 1 339.568 3.419 20 0 EGADMP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176165787 1385501288 /nfs/dbraw/zinc/50/12/88/1385501288.db2.gz OSABHXDQEIBIBJ-IEBWSBKVSA-N 2 1 335.536 3.093 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC1=CCCCC1 ZINC001176269240 1385532543 /nfs/dbraw/zinc/53/25/43/1385532543.db2.gz SLEGKGQBACKSGZ-GOSISDBHSA-N 2 1 337.552 3.483 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCCCCF ZINC001176269759 1385533589 /nfs/dbraw/zinc/53/35/89/1385533589.db2.gz XVEVLOISTMSWQZ-KRWDZBQOSA-N 2 1 331.520 3.123 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cc(C)ccc1C ZINC001176280365 1385537817 /nfs/dbraw/zinc/53/78/17/1385537817.db2.gz ZFUXSURMMLKRKN-IBGZPJMESA-N 2 1 347.547 3.410 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+][C@H](C)c1ccccc1 ZINC001176285771 1385539442 /nfs/dbraw/zinc/53/94/42/1385539442.db2.gz RBYLWQYRRJZGEF-QZTJIDSGSA-N 2 1 333.520 3.354 20 0 EGADMP C[NH+](C)Cc1ccc(Nc2cccc(F)c2N2CC[NH+](C)CC2)cc1 ZINC001176295886 1385543183 /nfs/dbraw/zinc/54/31/83/1385543183.db2.gz PIXFLBFGERKXRX-UHFFFAOYSA-N 2 1 342.462 3.383 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1CCC[NH+](CC2CCCC2)C1)C1CCCCC1 ZINC001317935981 1385575716 /nfs/dbraw/zinc/57/57/16/1385575716.db2.gz DNOJOSGJWZPDET-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)C1)C1CCCCC1 ZINC001317935981 1385575719 /nfs/dbraw/zinc/57/57/19/1385575719.db2.gz DNOJOSGJWZPDET-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)C1)C1CCCCC1 ZINC001317935981 1385575724 /nfs/dbraw/zinc/57/57/24/1385575724.db2.gz DNOJOSGJWZPDET-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001317973486 1385594115 /nfs/dbraw/zinc/59/41/15/1385594115.db2.gz XXFOWJVVMVIXBZ-HKUYNNGSSA-N 2 1 343.515 3.121 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001318300970 1385644872 /nfs/dbraw/zinc/64/48/72/1385644872.db2.gz IJBSZAGMALDQBF-WLMAVBAVSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176754389 1385684876 /nfs/dbraw/zinc/68/48/76/1385684876.db2.gz UHUPXAHULWBDKG-CNZFZVQHSA-N 2 1 325.541 3.338 20 0 EGADMP CC[C@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@@H](C)c1ccccc1Cl ZINC001318603593 1385788564 /nfs/dbraw/zinc/78/85/64/1385788564.db2.gz QAVANQGKYVOIDI-DZGCQCFKSA-N 2 1 348.878 3.091 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N(CCC[NH2+]CC1CCCC1)CC1CCCC1 ZINC001177267522 1385890307 /nfs/dbraw/zinc/89/03/07/1385890307.db2.gz RFNCIZPWECGLPA-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001177342382 1385921606 /nfs/dbraw/zinc/92/16/06/1385921606.db2.gz LXPXXAPMPTWKMV-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001177466943 1385967617 /nfs/dbraw/zinc/96/76/17/1385967617.db2.gz LYJXIPDMWQBFIV-FQEVSTJZSA-N 2 1 349.563 3.293 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC2(C[NH+](CC3CCCCCC3)C2)CC1 ZINC001319407249 1386107263 /nfs/dbraw/zinc/10/72/63/1386107263.db2.gz DKZHJDVXKXFEJQ-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CCCC1CCCC1 ZINC001178045948 1386115811 /nfs/dbraw/zinc/11/58/11/1386115811.db2.gz ZTTCTHSDIQRHJT-LJQANCHMSA-N 2 1 337.552 3.317 20 0 EGADMP Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)Cn2cc[nH+]c2C(C)C)cs1 ZINC001319542167 1386170958 /nfs/dbraw/zinc/17/09/58/1386170958.db2.gz YZYUBHIDILTSGY-AWEZNQCLSA-N 2 1 348.516 3.013 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccccc2)C1 ZINC001178248592 1386171650 /nfs/dbraw/zinc/17/16/50/1386171650.db2.gz DGKIFEWUBHQDIF-MSOLQXFVSA-N 2 1 331.504 3.361 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001319575685 1386187432 /nfs/dbraw/zinc/18/74/32/1386187432.db2.gz ZOOHCLSKYHXNJO-UONOGXRCSA-N 2 1 348.878 3.043 20 0 EGADMP Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001178518711 1386239993 /nfs/dbraw/zinc/23/99/93/1386239993.db2.gz WZEXYIBQXZIRFK-UYAOXDASSA-N 2 1 345.531 3.101 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001178689496 1386278578 /nfs/dbraw/zinc/27/85/78/1386278578.db2.gz ZKJFLANDLYODHS-LJQANCHMSA-N 2 1 339.568 3.421 20 0 EGADMP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001178698671 1386281543 /nfs/dbraw/zinc/28/15/43/1386281543.db2.gz QIQHKUQFBOVTQA-GOSISDBHSA-N 2 1 348.535 3.463 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)[nH]n1 ZINC001319813922 1386311337 /nfs/dbraw/zinc/31/13/37/1386311337.db2.gz MFDNSSOBVFMSFH-HZPDHXFCSA-N 2 1 326.488 3.486 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001178833418 1386322348 /nfs/dbraw/zinc/32/23/48/1386322348.db2.gz VHLBFCAHAPUKEJ-IBGZPJMESA-N 2 1 337.552 3.317 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]CC2CCC2)C1 ZINC001179358097 1386462254 /nfs/dbraw/zinc/46/22/54/1386462254.db2.gz VGOCONVREFMXCC-IBGZPJMESA-N 2 1 337.552 3.175 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179383075 1386468422 /nfs/dbraw/zinc/46/84/22/1386468422.db2.gz JQLVTIXAXUHEPD-ROUUACIJSA-N 2 1 325.541 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CCCC(C)C)[C@@H]2C)C1 ZINC001179388960 1386472430 /nfs/dbraw/zinc/47/24/30/1386472430.db2.gz VDFQERPBKOGEPV-FHWLQOOXSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@@H+](CC(=O)N[C@](C)(C[NH2+]Cc1ccccc1)C1CC1)CC(C)(C)C ZINC001698648961 1406298226 /nfs/dbraw/zinc/29/82/26/1406298226.db2.gz JUBWMAXBNZHGFD-OAQYLSRUSA-N 2 1 345.531 3.039 20 0 EGADMP CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001320072333 1386491792 /nfs/dbraw/zinc/49/17/92/1386491792.db2.gz HZVACPCTJSVQOS-RHSMWYFYSA-N 2 1 339.911 3.131 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001179549482 1386512229 /nfs/dbraw/zinc/51/22/29/1386512229.db2.gz AJZPUBCBNNKRAH-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001179580876 1386522298 /nfs/dbraw/zinc/52/22/98/1386522298.db2.gz UHKOTRDBYWYGRO-RBUKOAKNSA-N 2 1 339.568 3.419 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCCCCCC[NH2+]CC2=CCCCC2)C1 ZINC001179585088 1386523196 /nfs/dbraw/zinc/52/31/96/1386523196.db2.gz CFJGHYYUWXWJAS-SFHVURJKSA-N 2 1 335.536 3.095 20 0 EGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001320138098 1386532266 /nfs/dbraw/zinc/53/22/66/1386532266.db2.gz WVOGJYYMQRLXCC-BRWVUGGUSA-N 2 1 339.524 3.238 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([NH2+]CCC2CCCC2)[C@@H]1C ZINC001179720105 1386564288 /nfs/dbraw/zinc/56/42/88/1386564288.db2.gz YCZUJYVMSKPNGD-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP CCCC[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001179742241 1386568700 /nfs/dbraw/zinc/56/87/00/1386568700.db2.gz USEYSHRQBZTURG-UHFFFAOYSA-N 2 1 336.524 3.463 20 0 EGADMP CCCCCC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001179776765 1386581500 /nfs/dbraw/zinc/58/15/00/1386581500.db2.gz IKQQIUSHLZXMOM-KRWDZBQOSA-N 2 1 336.524 3.435 20 0 EGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2N2CCCC2)C1 ZINC001320508819 1386633071 /nfs/dbraw/zinc/63/30/71/1386633071.db2.gz ISQCSTAXBWJZSW-IBGZPJMESA-N 2 1 327.516 3.451 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2N2CCCC2)C1 ZINC001320508819 1386633074 /nfs/dbraw/zinc/63/30/74/1386633074.db2.gz ISQCSTAXBWJZSW-IBGZPJMESA-N 2 1 327.516 3.451 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2N2CCCC2)C1 ZINC001320508819 1386633078 /nfs/dbraw/zinc/63/30/78/1386633078.db2.gz ISQCSTAXBWJZSW-IBGZPJMESA-N 2 1 327.516 3.451 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001320508819 1386633084 /nfs/dbraw/zinc/63/30/84/1386633084.db2.gz ISQCSTAXBWJZSW-IBGZPJMESA-N 2 1 327.516 3.451 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2C)[C@@H]1C ZINC001179976217 1386655191 /nfs/dbraw/zinc/65/51/91/1386655191.db2.gz KAJLLCIWFLWATO-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)[C@@H]1C ZINC001179983242 1386658407 /nfs/dbraw/zinc/65/84/07/1386658407.db2.gz QMONABDJEOMRSI-HBFSDRIKSA-N 2 1 345.531 3.285 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC/C=C\c2ccccc2)[C@@H]1C ZINC001179987468 1386658853 /nfs/dbraw/zinc/65/88/53/1386658853.db2.gz YCKKXACXFOPLTP-KPHVFVAGSA-N 2 1 343.515 3.011 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1csc(C)c1 ZINC001179989208 1386660097 /nfs/dbraw/zinc/66/00/97/1386660097.db2.gz URBLJVLJABJXPO-UHFFFAOYSA-N 2 1 339.549 3.165 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]Cc1ccc(CC)cc1 ZINC001180123836 1386704901 /nfs/dbraw/zinc/70/49/01/1386704901.db2.gz LFBKVURDSIJVNO-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C ZINC001180369737 1386777174 /nfs/dbraw/zinc/77/71/74/1386777174.db2.gz UXNJWJWFWWPUDU-SFHVURJKSA-N 2 1 327.557 3.275 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](CCCc2ccccc2)CCN(C)C)CC1 ZINC001181489146 1387003625 /nfs/dbraw/zinc/00/36/25/1387003625.db2.gz XLXGNQZRHWLBGM-UHFFFAOYSA-N 2 1 331.548 3.215 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001181727688 1387046284 /nfs/dbraw/zinc/04/62/84/1387046284.db2.gz BQRHNIKZSDJSQG-YFVAEKQCSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@]1(C)C[NH2+]CC1CCCCC1 ZINC001181903960 1387073417 /nfs/dbraw/zinc/07/34/17/1387073417.db2.gz NBDBDQRSOYTZTH-YFVAEKQCSA-N 2 1 349.563 3.125 20 0 EGADMP CCc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001322306283 1387151111 /nfs/dbraw/zinc/15/11/11/1387151111.db2.gz JABKXHDGQZNVOD-GOSISDBHSA-N 2 1 345.531 3.062 20 0 EGADMP Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)NC(C)(C)CC[NH+](C)C)C1 ZINC001182342821 1387153442 /nfs/dbraw/zinc/15/34/42/1387153442.db2.gz FUPMEYIMUJUZHK-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CCCCC1)C1CCC1 ZINC001322338957 1387163344 /nfs/dbraw/zinc/16/33/44/1387163344.db2.gz PKQVUAXEGDTLJC-ICSRJNTNSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001322393450 1387178097 /nfs/dbraw/zinc/17/80/97/1387178097.db2.gz XJLZVXGRQINJLJ-CADBVGFASA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182589526 1387192684 /nfs/dbraw/zinc/19/26/84/1387192684.db2.gz HEQHMOJTPDIIBJ-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001182629873 1387198793 /nfs/dbraw/zinc/19/87/93/1387198793.db2.gz MWISGXSGYGJYAW-IAWJQODMSA-N 2 1 349.563 3.149 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc2ccccc2c1)[NH+](C)C ZINC001329591580 1389170901 /nfs/dbraw/zinc/17/09/01/1389170901.db2.gz CKCKINPJUIUQHE-UZLBHIALSA-N 2 1 341.499 3.117 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCC2CC2)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001332015447 1389946595 /nfs/dbraw/zinc/94/65/95/1389946595.db2.gz NHGBTEXWUDKRQE-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C)c(C)c2)[C@H]1C ZINC001332220139 1390051969 /nfs/dbraw/zinc/05/19/69/1390051969.db2.gz SSTWPABJJPQYBT-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)[C@H]1C ZINC001332220139 1390051976 /nfs/dbraw/zinc/05/19/76/1390051976.db2.gz SSTWPABJJPQYBT-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C)c(C)c2)[C@H]1C ZINC001332220139 1390051981 /nfs/dbraw/zinc/05/19/81/1390051981.db2.gz SSTWPABJJPQYBT-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001332220344 1390052132 /nfs/dbraw/zinc/05/21/32/1390052132.db2.gz SSTWPABJJPQYBT-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001332220344 1390052136 /nfs/dbraw/zinc/05/21/36/1390052136.db2.gz SSTWPABJJPQYBT-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001332220344 1390052146 /nfs/dbraw/zinc/05/21/46/1390052146.db2.gz SSTWPABJJPQYBT-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC001332555233 1390134198 /nfs/dbraw/zinc/13/41/98/1390134198.db2.gz HAUPWSXRAJMBTH-HOCLYGCPSA-N 2 1 336.549 3.391 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001333118801 1390251534 /nfs/dbraw/zinc/25/15/34/1390251534.db2.gz BEBOOQRKXBVKFK-AOCRQIFASA-N 2 1 348.535 3.268 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1Cl ZINC001333747821 1390390980 /nfs/dbraw/zinc/39/09/80/1390390980.db2.gz BIGIXVLFMMFOOT-KRWDZBQOSA-N 2 1 343.858 3.227 20 0 EGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001341341058 1390474058 /nfs/dbraw/zinc/47/40/58/1390474058.db2.gz FMOMKUWFEAQNBO-KURKYZTESA-N 2 1 334.504 3.487 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cn3ccc(-c4ccc(F)cc4)n3)C[C@@H]2C1 ZINC001334723476 1390574852 /nfs/dbraw/zinc/57/48/52/1390574852.db2.gz DYDJNFLTJHMZFU-ZIFCJYIRSA-N 2 1 342.462 3.309 20 0 EGADMP c1ccc(C2CCC(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC001343259933 1390703076 /nfs/dbraw/zinc/70/30/76/1390703076.db2.gz AHVIFCRFQPGDSO-HXJFWZBSSA-N 2 1 328.500 3.413 20 0 EGADMP c1ccc(C2CCC(C[NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC001343259933 1390703079 /nfs/dbraw/zinc/70/30/79/1390703079.db2.gz AHVIFCRFQPGDSO-HXJFWZBSSA-N 2 1 328.500 3.413 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001346018617 1390901238 /nfs/dbraw/zinc/90/12/38/1390901238.db2.gz WKJQQIUBORINKT-CQSZACIVSA-N 2 1 335.879 3.133 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001346018617 1390901240 /nfs/dbraw/zinc/90/12/40/1390901240.db2.gz WKJQQIUBORINKT-CQSZACIVSA-N 2 1 335.879 3.133 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccccc2F)c1 ZINC001346204490 1390915150 /nfs/dbraw/zinc/91/51/50/1390915150.db2.gz UCSADLLJKNZRSK-FQEVSTJZSA-N 2 1 330.447 3.489 20 0 EGADMP C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)CC2)CC1 ZINC001348765798 1391264229 /nfs/dbraw/zinc/26/42/29/1391264229.db2.gz KTEGGNLCIZETOL-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CC2(C1)CCN(C(=O)CC[N@@H+](C)C1CCCCC1)CC2 ZINC001698808453 1406493190 /nfs/dbraw/zinc/49/31/90/1406493190.db2.gz JUCFMEPZILTNMD-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3ncc(C(F)(F)F)s3)C[C@@H]2C1 ZINC001352113157 1391760965 /nfs/dbraw/zinc/76/09/65/1391760965.db2.gz QAOGMNMSKOFNBU-GRYCIOLGSA-N 2 1 333.423 3.324 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ncc(C(F)(F)F)s3)C[C@@H]2C1 ZINC001352113157 1391760967 /nfs/dbraw/zinc/76/09/67/1391760967.db2.gz QAOGMNMSKOFNBU-GRYCIOLGSA-N 2 1 333.423 3.324 20 0 EGADMP Cn1c2ccccc2n(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001352759876 1391843542 /nfs/dbraw/zinc/84/35/42/1391843542.db2.gz HJCLLSWIGAYHIK-ARFHVFGLSA-N 2 1 344.528 3.329 20 0 EGADMP Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001480325658 1392686140 /nfs/dbraw/zinc/68/61/40/1392686140.db2.gz XYSXZSKVRXMLKL-VQTJNVASSA-N 2 1 345.531 3.052 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)NC[C@@H]1CCCC[N@H+]1CC1CCC1 ZINC001480330833 1392689855 /nfs/dbraw/zinc/68/98/55/1392689855.db2.gz JNASZIZHKYZVNH-IBGZPJMESA-N 2 1 335.536 3.023 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(CC)c1 ZINC001480333690 1392692495 /nfs/dbraw/zinc/69/24/95/1392692495.db2.gz VEARWWCERQPOBG-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(CC)c1 ZINC001480333690 1392692498 /nfs/dbraw/zinc/69/24/98/1392692498.db2.gz VEARWWCERQPOBG-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(CC)c1 ZINC001480333690 1392692503 /nfs/dbraw/zinc/69/25/03/1392692503.db2.gz VEARWWCERQPOBG-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001480740237 1392905774 /nfs/dbraw/zinc/90/57/74/1392905774.db2.gz XARGVAAVNJNCPU-QUCCMNQESA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001480740237 1392905778 /nfs/dbraw/zinc/90/57/78/1392905778.db2.gz XARGVAAVNJNCPU-QUCCMNQESA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001480740237 1392905780 /nfs/dbraw/zinc/90/57/80/1392905780.db2.gz XARGVAAVNJNCPU-QUCCMNQESA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C/C=C/c1ccccc1)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001481143935 1393132190 /nfs/dbraw/zinc/13/21/90/1393132190.db2.gz ABPAGVXQQFWYJT-JTPHSUOKSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C/C=C/c1ccccc1)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001481143935 1393132191 /nfs/dbraw/zinc/13/21/91/1393132191.db2.gz ABPAGVXQQFWYJT-JTPHSUOKSA-N 2 1 343.515 3.012 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001481181633 1393143287 /nfs/dbraw/zinc/14/32/87/1393143287.db2.gz CKTMDCHOYKJFLP-XLIONFOSSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001481181633 1393143288 /nfs/dbraw/zinc/14/32/88/1393143288.db2.gz CKTMDCHOYKJFLP-XLIONFOSSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001481181633 1393143289 /nfs/dbraw/zinc/14/32/89/1393143289.db2.gz CKTMDCHOYKJFLP-XLIONFOSSA-N 2 1 343.515 3.121 20 0 EGADMP CC(C)(C)CCC[N@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001481438215 1394293166 /nfs/dbraw/zinc/29/31/66/1394293166.db2.gz BZIILJOPHOKYAB-GOSISDBHSA-N 2 1 349.563 3.269 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@H]2CCCC[N@H+]2CC2CCCCC2)CC1 ZINC001491231479 1394486020 /nfs/dbraw/zinc/48/60/20/1394486020.db2.gz ZNAXGPMXDINVEK-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001481748661 1394493128 /nfs/dbraw/zinc/49/31/28/1394493128.db2.gz JRJXTCZQEODUFI-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](CC)c2ccccc2)C1 ZINC001481748661 1394493130 /nfs/dbraw/zinc/49/31/30/1394493130.db2.gz JRJXTCZQEODUFI-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC001481748661 1394493132 /nfs/dbraw/zinc/49/31/32/1394493132.db2.gz JRJXTCZQEODUFI-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1ccccc1 ZINC001491269969 1394498506 /nfs/dbraw/zinc/49/85/06/1394498506.db2.gz TVPGSHNCIFEXNE-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP C[N@@H+](CCC1CC1)CCC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001698956179 1406704846 /nfs/dbraw/zinc/70/48/46/1406704846.db2.gz OLBWRGNAWXEKEU-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCCC1)CC2 ZINC001482071701 1394734298 /nfs/dbraw/zinc/73/42/98/1394734298.db2.gz JXQGVCGSLOXGRI-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP Cc1cccc(C)c1C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001482381587 1394941576 /nfs/dbraw/zinc/94/15/76/1394941576.db2.gz XRRKPAQARNSACB-UYAOXDASSA-N 2 1 345.531 3.018 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](CC[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001484549369 1395430847 /nfs/dbraw/zinc/43/08/47/1395430847.db2.gz JXXMZBPVWOLYFP-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH+](C)CC1CC(C)C1 ZINC001484760997 1395513407 /nfs/dbraw/zinc/51/34/07/1395513407.db2.gz ORNVMAVPQRGSGO-CTWPCTMYSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)CCC[N@H+](C)CC1CC(C)C1 ZINC001484760997 1395513410 /nfs/dbraw/zinc/51/34/10/1395513410.db2.gz ORNVMAVPQRGSGO-CTWPCTMYSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)CC1CC(C)C1 ZINC001484760997 1395513415 /nfs/dbraw/zinc/51/34/15/1395513415.db2.gz ORNVMAVPQRGSGO-CTWPCTMYSA-N 2 1 337.552 3.076 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001485040599 1395647308 /nfs/dbraw/zinc/64/73/08/1395647308.db2.gz PEFGSWCRDNIFOG-ICSRJNTNSA-N 2 1 345.531 3.369 20 0 EGADMP CCC(CC)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001485480786 1395961889 /nfs/dbraw/zinc/96/18/89/1395961889.db2.gz XYOJSYAIIKMVEP-OALUTQOASA-N 2 1 339.568 3.370 20 0 EGADMP C[NH+]1CCC(CC(=O)NC[C@H]2CCC[N@H+]2CCCC(C)(C)C)CC1 ZINC001493139767 1396338171 /nfs/dbraw/zinc/33/81/71/1396338171.db2.gz LIVSCNSPGVEHCQ-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001494156048 1396388023 /nfs/dbraw/zinc/38/80/23/1396388023.db2.gz FCLWOCPLLMEALX-IRXDYDNUSA-N 2 1 349.494 3.009 20 0 EGADMP Cc1cc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C2CCC2)c(C)c1 ZINC001496083696 1396598306 /nfs/dbraw/zinc/59/83/06/1396598306.db2.gz WGBQEQZGONCWTD-SFHVURJKSA-N 2 1 345.531 3.033 20 0 EGADMP CC(C)[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001498488803 1397033231 /nfs/dbraw/zinc/03/32/31/1397033231.db2.gz JJAGSQSNQBORCA-MJGOQNOKSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001498488805 1397033695 /nfs/dbraw/zinc/03/36/95/1397033695.db2.gz JJAGSQSNQBORCA-PKOBYXMFSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]([NH2+]CC1CCCCC1)C1CC1 ZINC001690171895 1404370294 /nfs/dbraw/zinc/37/02/94/1404370294.db2.gz SPCBIGMWYBCKAQ-GOSISDBHSA-N 2 1 346.519 3.071 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001690292370 1404452458 /nfs/dbraw/zinc/45/24/58/1404452458.db2.gz USLPKSDIYKGAKK-DJIMGWMZSA-N 2 1 346.519 3.042 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1)CC(C)(C)C ZINC001690455309 1404583045 /nfs/dbraw/zinc/58/30/45/1404583045.db2.gz RZPQCXABNONLLK-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1)CC(C)(C)C ZINC001690455309 1404583047 /nfs/dbraw/zinc/58/30/47/1404583047.db2.gz RZPQCXABNONLLK-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCC[N@H+]1CC1CCCC1)CC(C)(C)C ZINC001690455309 1404583050 /nfs/dbraw/zinc/58/30/50/1404583050.db2.gz RZPQCXABNONLLK-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001690490812 1404604239 /nfs/dbraw/zinc/60/42/39/1404604239.db2.gz FKCDEFDFKAZCSM-RTBURBONSA-N 2 1 335.536 3.118 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+]Cc2ccccc2CC)CC1 ZINC001690544139 1404628294 /nfs/dbraw/zinc/62/82/94/1404628294.db2.gz AOTRIJHRMBCCRO-UHFFFAOYSA-N 2 1 345.531 3.108 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2cccc(CC)c2)C1 ZINC001690824281 1404760860 /nfs/dbraw/zinc/76/08/60/1404760860.db2.gz AAEOIKZBCNFEOO-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(CC)c2)C1 ZINC001690824281 1404760863 /nfs/dbraw/zinc/76/08/63/1404760863.db2.gz AAEOIKZBCNFEOO-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(CC)c2)C1 ZINC001690824281 1404760864 /nfs/dbraw/zinc/76/08/64/1404760864.db2.gz AAEOIKZBCNFEOO-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2cc(C)cc(C)c2)C1 ZINC001690825223 1404763521 /nfs/dbraw/zinc/76/35/21/1404763521.db2.gz UQFAWWSXMQYPNR-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001690825223 1404763526 /nfs/dbraw/zinc/76/35/26/1404763526.db2.gz UQFAWWSXMQYPNR-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001690825223 1404763528 /nfs/dbraw/zinc/76/35/28/1404763528.db2.gz UQFAWWSXMQYPNR-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001690942006 1404848116 /nfs/dbraw/zinc/84/81/16/1404848116.db2.gz PTJWJDXRYQIMBB-RTBURBONSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001690942006 1404848121 /nfs/dbraw/zinc/84/81/21/1404848121.db2.gz PTJWJDXRYQIMBB-RTBURBONSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001690942006 1404848129 /nfs/dbraw/zinc/84/81/29/1404848129.db2.gz PTJWJDXRYQIMBB-RTBURBONSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001691102888 1405042758 /nfs/dbraw/zinc/04/27/58/1405042758.db2.gz QTFXDGDPPZFVEP-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001691102888 1405042762 /nfs/dbraw/zinc/04/27/62/1405042762.db2.gz QTFXDGDPPZFVEP-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001691102888 1405042766 /nfs/dbraw/zinc/04/27/66/1405042766.db2.gz QTFXDGDPPZFVEP-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001691146134 1405079799 /nfs/dbraw/zinc/07/97/99/1405079799.db2.gz OAONKZZQFHKGKH-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001691146134 1405079801 /nfs/dbraw/zinc/07/98/01/1405079801.db2.gz OAONKZZQFHKGKH-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001691146134 1405079809 /nfs/dbraw/zinc/07/98/09/1405079809.db2.gz OAONKZZQFHKGKH-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001691236892 1405177047 /nfs/dbraw/zinc/17/70/47/1405177047.db2.gz OCHJTSSUCCKXHI-SFHVURJKSA-N 2 1 343.515 3.204 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001692384522 1405989643 /nfs/dbraw/zinc/98/96/43/1405989643.db2.gz QBZQIIZXAHCZMO-UFYCRDLUSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)CC[NH+]1CCCCC1)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001698577589 1406187450 /nfs/dbraw/zinc/18/74/50/1406187450.db2.gz QMUYHIUSVPFQAV-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1)[NH+](C)C ZINC001698585946 1406201599 /nfs/dbraw/zinc/20/15/99/1406201599.db2.gz NTSZVSAMXCCGND-UXHICEINSA-N 2 1 345.531 3.066 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH+](C)Cc2ccccc2C)CC1 ZINC001732087434 1428348874 /nfs/dbraw/zinc/34/88/74/1428348874.db2.gz ZBOLRMFVCFPXPX-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2C)CC1 ZINC001732087434 1428348877 /nfs/dbraw/zinc/34/88/77/1428348877.db2.gz ZBOLRMFVCFPXPX-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2C)CC1 ZINC001732087434 1428348880 /nfs/dbraw/zinc/34/88/80/1428348880.db2.gz ZBOLRMFVCFPXPX-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001732224061 1428472839 /nfs/dbraw/zinc/47/28/39/1428472839.db2.gz QNZZLEZVVCWDGK-GUYCJALGSA-N 2 1 348.878 3.091 20 0 EGADMP CC(C)C[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCC[C@H]1C ZINC001732261416 1428501901 /nfs/dbraw/zinc/50/19/01/1428501901.db2.gz ZCEFVVLRANODEA-XLIONFOSSA-N 2 1 348.535 3.317 20 0 EGADMP CC[C@H]([NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001699220458 1412584944 /nfs/dbraw/zinc/58/49/44/1412584944.db2.gz UJNRJLSVPPLCKO-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001699684690 1413081340 /nfs/dbraw/zinc/08/13/40/1413081340.db2.gz YSYRTDMWCGLBKY-RLLQIKCJSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001699684690 1413081343 /nfs/dbraw/zinc/08/13/43/1413081343.db2.gz YSYRTDMWCGLBKY-RLLQIKCJSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C1CCC1 ZINC001699684690 1413081347 /nfs/dbraw/zinc/08/13/47/1413081347.db2.gz YSYRTDMWCGLBKY-RLLQIKCJSA-N 2 1 349.563 3.218 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001699946831 1413391041 /nfs/dbraw/zinc/39/10/41/1413391041.db2.gz APLCOGCVGYKOTL-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)(C)CCC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001699994532 1413441052 /nfs/dbraw/zinc/44/10/52/1413441052.db2.gz YZMFUGUKPZDNAE-KDURUIRLSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1CCCC1CCC1 ZINC001700323788 1413792091 /nfs/dbraw/zinc/79/20/91/1413792091.db2.gz MJURHXYLSFFWJS-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)Cc1ccc2ccccc2c1 ZINC001700481229 1414118385 /nfs/dbraw/zinc/11/83/85/1414118385.db2.gz PHNHIYFXXOLPAV-QGZVFWFLSA-N 2 1 341.499 3.118 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)Cc1ccc2ccccc2c1 ZINC001700481229 1414118386 /nfs/dbraw/zinc/11/83/86/1414118386.db2.gz PHNHIYFXXOLPAV-QGZVFWFLSA-N 2 1 341.499 3.118 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC001700481229 1414118389 /nfs/dbraw/zinc/11/83/89/1414118389.db2.gz PHNHIYFXXOLPAV-QGZVFWFLSA-N 2 1 341.499 3.118 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CCCCC[NH+]1C/C=C\Cl)CC(C)(C)C ZINC001700524892 1414185239 /nfs/dbraw/zinc/18/52/39/1414185239.db2.gz AOHUBIIIAPNNFB-SIJIIQCFSA-N 2 1 343.943 3.078 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCCC[N@@H+]1C/C=C\Cl)CC(C)(C)C ZINC001700524892 1414185241 /nfs/dbraw/zinc/18/52/41/1414185241.db2.gz AOHUBIIIAPNNFB-SIJIIQCFSA-N 2 1 343.943 3.078 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCCC[N@H+]1C/C=C\Cl)CC(C)(C)C ZINC001700524892 1414185244 /nfs/dbraw/zinc/18/52/44/1414185244.db2.gz AOHUBIIIAPNNFB-SIJIIQCFSA-N 2 1 343.943 3.078 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC([C@@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001700556132 1414226623 /nfs/dbraw/zinc/22/66/23/1414226623.db2.gz XSDWQUUDUXYHSX-BEFAXECRSA-N 2 1 349.494 3.055 20 0 EGADMP Cc1ccc(C[N@H+](C)CCN(C)C(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001732594556 1428825394 /nfs/dbraw/zinc/82/53/94/1428825394.db2.gz KREPXYIONFNAHC-UHFFFAOYSA-N 2 1 345.531 3.006 20 0 EGADMP Cc1ccccc1C[N@H+](C)CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732594868 1428826730 /nfs/dbraw/zinc/82/67/30/1428826730.db2.gz LMQQZHXKDHIZAU-IBGZPJMESA-N 2 1 345.531 3.150 20 0 EGADMP C[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001733013301 1429132470 /nfs/dbraw/zinc/13/24/70/1429132470.db2.gz BBXIPISPAIUWSG-QFBILLFUSA-N 2 1 345.531 3.136 20 0 EGADMP CCC(CC)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001707088171 1417194668 /nfs/dbraw/zinc/19/46/68/1417194668.db2.gz FCBFQSWVQCGDBO-GUDVDZBRSA-N 2 1 337.552 3.170 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1CCCCC1 ZINC001707450148 1417354546 /nfs/dbraw/zinc/35/45/46/1417354546.db2.gz ZMJABCKWNHVWFX-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCC1CCCC1 ZINC001713003422 1417557326 /nfs/dbraw/zinc/55/73/26/1417557326.db2.gz HIEHIKHHMVJROY-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@H](C[N@@H+](C)CCCC1CCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001733058528 1429203320 /nfs/dbraw/zinc/20/33/20/1429203320.db2.gz LJGQNLDWPWZBFF-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@H+]2CCCC2CCC2)CCC1 ZINC001713253105 1417846778 /nfs/dbraw/zinc/84/67/78/1417846778.db2.gz MZIKMYQBKYPBQE-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(C)c1 ZINC001713257305 1417859590 /nfs/dbraw/zinc/85/95/90/1417859590.db2.gz ZPSHLWYYKAKYAT-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001713257305 1417859592 /nfs/dbraw/zinc/85/95/92/1417859592.db2.gz ZPSHLWYYKAKYAT-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001713257305 1417859595 /nfs/dbraw/zinc/85/95/95/1417859595.db2.gz ZPSHLWYYKAKYAT-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001713271394 1417884181 /nfs/dbraw/zinc/88/41/81/1417884181.db2.gz IRMFCBUQUXSNIZ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001713361852 1417976468 /nfs/dbraw/zinc/97/64/68/1417976468.db2.gz MIFXPZNBXYNCSG-LJQANCHMSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001713399535 1418019943 /nfs/dbraw/zinc/01/99/43/1418019943.db2.gz OQOALAGDTCSZFF-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001713399535 1418019948 /nfs/dbraw/zinc/01/99/48/1418019948.db2.gz OQOALAGDTCSZFF-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001713399535 1418019951 /nfs/dbraw/zinc/01/99/51/1418019951.db2.gz OQOALAGDTCSZFF-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@@H](C)c1cccc(Cl)c1 ZINC001713497744 1418210922 /nfs/dbraw/zinc/21/09/22/1418210922.db2.gz YACWFQJPIUNOLX-AWEZNQCLSA-N 2 1 348.878 3.044 20 0 EGADMP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@@H](C)c1cccc(Cl)c1 ZINC001713497744 1418210926 /nfs/dbraw/zinc/21/09/26/1418210926.db2.gz YACWFQJPIUNOLX-AWEZNQCLSA-N 2 1 348.878 3.044 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)CC1CCC1 ZINC001713546466 1418316333 /nfs/dbraw/zinc/31/63/33/1418316333.db2.gz MTSUTDNQBYUGOQ-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)CC1CCC1 ZINC001713546466 1418316337 /nfs/dbraw/zinc/31/63/37/1418316337.db2.gz MTSUTDNQBYUGOQ-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)CC1CCC1 ZINC001713546466 1418316342 /nfs/dbraw/zinc/31/63/42/1418316342.db2.gz MTSUTDNQBYUGOQ-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H]1CCC[C@H](C)C1 ZINC001713711227 1418470805 /nfs/dbraw/zinc/47/08/05/1418470805.db2.gz DVAVVLARVKLIHJ-LWYYNNOASA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H]1CCC[C@H](C)C1 ZINC001713711227 1418470807 /nfs/dbraw/zinc/47/08/07/1418470807.db2.gz DVAVVLARVKLIHJ-LWYYNNOASA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H]1CCC[C@H](C)C1 ZINC001713711227 1418470812 /nfs/dbraw/zinc/47/08/12/1418470812.db2.gz DVAVVLARVKLIHJ-LWYYNNOASA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccc(F)cc1 ZINC001713959951 1418741060 /nfs/dbraw/zinc/74/10/60/1418741060.db2.gz ZQQGQDUVNLQWGF-WBAXXEDZSA-N 2 1 349.494 3.101 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001714041636 1418831307 /nfs/dbraw/zinc/83/13/07/1418831307.db2.gz LJGKNUVBXOTOTG-LJQANCHMSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001714556507 1419283845 /nfs/dbraw/zinc/28/38/45/1419283845.db2.gz QJPTWPIKDSIWLX-AZUAARDMSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001714556507 1419283847 /nfs/dbraw/zinc/28/38/47/1419283847.db2.gz QJPTWPIKDSIWLX-AZUAARDMSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001714556507 1419283849 /nfs/dbraw/zinc/28/38/49/1419283849.db2.gz QJPTWPIKDSIWLX-AZUAARDMSA-N 2 1 345.531 3.226 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001714564870 1419292871 /nfs/dbraw/zinc/29/28/71/1419292871.db2.gz MZEAWQARHVOCOM-MOPGFXCFSA-N 2 1 345.531 3.369 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1)CC(C)(C)C ZINC001715005237 1419735172 /nfs/dbraw/zinc/73/51/72/1419735172.db2.gz ZHZAKWTXEMQCAZ-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)C1)CC(C)(C)C ZINC001715005237 1419735175 /nfs/dbraw/zinc/73/51/75/1419735175.db2.gz ZHZAKWTXEMQCAZ-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1)CC(C)(C)C ZINC001715005237 1419735177 /nfs/dbraw/zinc/73/51/77/1419735177.db2.gz ZHZAKWTXEMQCAZ-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(CC)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001715045816 1419786256 /nfs/dbraw/zinc/78/62/56/1419786256.db2.gz LDQODWDFFVLDCK-ICSRJNTNSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001715045816 1419786258 /nfs/dbraw/zinc/78/62/58/1419786258.db2.gz LDQODWDFFVLDCK-ICSRJNTNSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001715045816 1419786260 /nfs/dbraw/zinc/78/62/60/1419786260.db2.gz LDQODWDFFVLDCK-ICSRJNTNSA-N 2 1 345.531 3.402 20 0 EGADMP CC[NH2+]C[C@@]1(NC(=O)CC[N@@H+](C)C2CCCCC2)CCCC[C@H]1C ZINC001715127116 1419873735 /nfs/dbraw/zinc/87/37/35/1419873735.db2.gz IGBFHSJTPLJPSK-XLIONFOSSA-N 2 1 337.552 3.316 20 0 EGADMP CC[C@H](C(=O)N1CCC2(CC[N@@H+](CC(C)C)C2)CC1)[NH+](CC)CC ZINC001715218528 1419952035 /nfs/dbraw/zinc/95/20/35/1419952035.db2.gz WSNLLGQOWNEPQM-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1ccc(C)c(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001715391103 1420087727 /nfs/dbraw/zinc/08/77/27/1420087727.db2.gz UGAUSUYRJRZKOS-VQTJNVASSA-N 2 1 345.531 3.018 20 0 EGADMP CC1CC[NH+](CC(=O)N(C)CC[N@@H+](C)CC2CCCCCC2)CC1 ZINC001715978888 1420438309 /nfs/dbraw/zinc/43/83/09/1420438309.db2.gz XHXBUZYCHVFZSB-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001717004703 1421073382 /nfs/dbraw/zinc/07/33/82/1421073382.db2.gz XIELBAJIQYJPPY-QWFCFKBJSA-N 2 1 345.531 3.210 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@@H+](CC3CCC3)CC2)CCCCC1 ZINC001717198756 1421165787 /nfs/dbraw/zinc/16/57/87/1421165787.db2.gz XSQYRUNFDVZEGW-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)C[C@@H]1C ZINC001733336230 1429521170 /nfs/dbraw/zinc/52/11/70/1429521170.db2.gz RRFANMORXBIKAJ-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C[C@H]1C ZINC001733336374 1429521709 /nfs/dbraw/zinc/52/17/09/1429521709.db2.gz TYCFQPBWXJSEEO-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@]2(C)CC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC001733416498 1429620770 /nfs/dbraw/zinc/62/07/70/1429620770.db2.gz FLXXKYNLGYJPIW-HXUWFJFHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+][C@H](C)c2ccccc2C)C1 ZINC001733444053 1429652791 /nfs/dbraw/zinc/65/27/91/1429652791.db2.gz VZJJSLIXRAPFGH-WIYYLYMNSA-N 2 1 345.531 3.226 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001723483891 1424435990 /nfs/dbraw/zinc/43/59/90/1424435990.db2.gz KZDMLWPMWQUKPX-OALUTQOASA-N 2 1 343.515 3.123 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1c(C)cc(C)cc1C ZINC001723967261 1424614113 /nfs/dbraw/zinc/61/41/13/1424614113.db2.gz ORLKBVGURWOFSC-IBGZPJMESA-N 2 1 345.531 3.034 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001724841392 1425190835 /nfs/dbraw/zinc/19/08/35/1425190835.db2.gz DUNIGHKPZSEKDV-FQEVSTJZSA-N 2 1 349.563 3.413 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001725047321 1425477900 /nfs/dbraw/zinc/47/79/00/1425477900.db2.gz MGPIUGSSONGJRN-MOPGFXCFSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccc(C)cc1C ZINC001725054659 1425489610 /nfs/dbraw/zinc/48/96/10/1425489610.db2.gz YEENLTUMUFVBFI-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C)cc1C ZINC001725054659 1425489612 /nfs/dbraw/zinc/48/96/12/1425489612.db2.gz YEENLTUMUFVBFI-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C)cc1C ZINC001725054659 1425489617 /nfs/dbraw/zinc/48/96/17/1425489617.db2.gz YEENLTUMUFVBFI-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)c1ccccc1 ZINC001725182182 1425708826 /nfs/dbraw/zinc/70/88/26/1425708826.db2.gz BEOFLOSYVBSPCQ-SJORKVTESA-N 2 1 342.487 3.169 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001725182182 1425708832 /nfs/dbraw/zinc/70/88/32/1425708832.db2.gz BEOFLOSYVBSPCQ-SJORKVTESA-N 2 1 342.487 3.169 20 0 EGADMP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001725196797 1425751273 /nfs/dbraw/zinc/75/12/73/1425751273.db2.gz SGAGUSSJCFALJT-MSOLQXFVSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001731880075 1428150202 /nfs/dbraw/zinc/15/02/02/1428150202.db2.gz ATNNNOXDHYMDDU-YLJYHZDGSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001731880075 1428150203 /nfs/dbraw/zinc/15/02/03/1428150203.db2.gz ATNNNOXDHYMDDU-YLJYHZDGSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001731880075 1428150204 /nfs/dbraw/zinc/15/02/04/1428150204.db2.gz ATNNNOXDHYMDDU-YLJYHZDGSA-N 2 1 343.515 3.060 20 0 EGADMP C[NH+]1CCC(CC(=O)NCC[N@@H+](CCCC(C)(C)C)C2CC2)CC1 ZINC001731882424 1428154038 /nfs/dbraw/zinc/15/40/38/1428154038.db2.gz LEZGEGUPVDINGM-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC001731988022 1428198778 /nfs/dbraw/zinc/19/87/78/1428198778.db2.gz RIIKPEFZCWQTNE-FXAWDEMLSA-N 2 1 339.483 3.099 20 0 EGADMP C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1CCC1CCCC1 ZINC001733899305 1437717258 /nfs/dbraw/zinc/71/72/58/1437717258.db2.gz GWPBSJSPQCOOMD-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCCC(C)(C)C)[C@@H](C)C1 ZINC001733901019 1437719072 /nfs/dbraw/zinc/71/90/72/1437719072.db2.gz MJMUFUVGESPTDL-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)[C@@H](C)C1 ZINC001733901019 1437719068 /nfs/dbraw/zinc/71/90/68/1437719068.db2.gz MJMUFUVGESPTDL-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)[C@@H](C)C1 ZINC001733901019 1437719070 /nfs/dbraw/zinc/71/90/70/1437719070.db2.gz MJMUFUVGESPTDL-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001734351877 1438069535 /nfs/dbraw/zinc/06/95/35/1438069535.db2.gz IBTHECMUAXQGMU-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001734425084 1438091460 /nfs/dbraw/zinc/09/14/60/1438091460.db2.gz PXKSRDRVDKGUKA-PKOBYXMFSA-N 2 1 345.531 3.052 20 0 EGADMP C[C@@H](C(=O)NCCC[N@@H+](C)Cc1cccc(F)c1)[NH+]1CCCCCC1 ZINC001752072598 1440138073 /nfs/dbraw/zinc/13/80/73/1440138073.db2.gz GBSQYWUCSDUPLV-KRWDZBQOSA-N 2 1 349.494 3.028 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[N@H+](C)CC1CCCCC1 ZINC001752072523 1440138085 /nfs/dbraw/zinc/13/80/85/1440138085.db2.gz DMBKHPXWGKPNFO-UHFFFAOYSA-N 2 1 334.508 3.025 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[N@@H+](C)CC1CCCCC1 ZINC001752072523 1440138087 /nfs/dbraw/zinc/13/80/87/1440138087.db2.gz DMBKHPXWGKPNFO-UHFFFAOYSA-N 2 1 334.508 3.025 20 0 EGADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CCCC(C)(C)C ZINC001752077397 1440138655 /nfs/dbraw/zinc/13/86/55/1440138655.db2.gz XELDKDBESOQKNG-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)CCCC(C)(C)C ZINC001752077397 1440138656 /nfs/dbraw/zinc/13/86/56/1440138656.db2.gz XELDKDBESOQKNG-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)CCCC(C)(C)C ZINC001752077397 1440138657 /nfs/dbraw/zinc/13/86/57/1440138657.db2.gz XELDKDBESOQKNG-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001752409865 1440174403 /nfs/dbraw/zinc/17/44/03/1440174403.db2.gz ARUWKFIWDSIQJQ-HXUWFJFHSA-N 2 1 349.563 3.413 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC[C@@H]2C[N@@H+](CCC3CCCC3)CC[C@@H]21 ZINC001752709153 1440203257 /nfs/dbraw/zinc/20/32/57/1440203257.db2.gz ZDECMHWDZDLTIZ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001752789267 1440212986 /nfs/dbraw/zinc/21/29/86/1440212986.db2.gz BDUKLSNCYWRPEZ-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001752789262 1440213155 /nfs/dbraw/zinc/21/31/55/1440213155.db2.gz BDUKLSNCYWRPEZ-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CCC2)C1)[NH+]1CCCCC1 ZINC001752790122 1440213636 /nfs/dbraw/zinc/21/36/36/1440213636.db2.gz SFKOORVXXFJJHK-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001752819572 1440219760 /nfs/dbraw/zinc/21/97/60/1440219760.db2.gz YREODOLQMGAMAV-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCCC[N@H+]2CCCC(C)(C)C)CC1 ZINC001752819851 1440219794 /nfs/dbraw/zinc/21/97/94/1440219794.db2.gz DLGVLUONLLGGHU-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001752828909 1440224754 /nfs/dbraw/zinc/22/47/54/1440224754.db2.gz KJZQICVOVAVLDB-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001752835199 1440227368 /nfs/dbraw/zinc/22/73/68/1440227368.db2.gz CEUJHBNNWXHKTG-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001752840427 1440230204 /nfs/dbraw/zinc/23/02/04/1440230204.db2.gz JWWHMPLHSPOUPN-ROUUACIJSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001752840427 1440230205 /nfs/dbraw/zinc/23/02/05/1440230205.db2.gz JWWHMPLHSPOUPN-ROUUACIJSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001752840427 1440230206 /nfs/dbraw/zinc/23/02/06/1440230206.db2.gz JWWHMPLHSPOUPN-ROUUACIJSA-N 2 1 339.568 3.371 20 0 EGADMP CCCCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001752852598 1440234035 /nfs/dbraw/zinc/23/40/35/1440234035.db2.gz LYASIYCWOMLIAB-CTWPCTMYSA-N 2 1 337.552 3.457 20 0 EGADMP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1C ZINC001752902392 1440243254 /nfs/dbraw/zinc/24/32/54/1440243254.db2.gz ALGNWUXVEKUAFJ-AZUAARDMSA-N 2 1 345.531 3.161 20 0 EGADMP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001752940533 1440250876 /nfs/dbraw/zinc/25/08/76/1440250876.db2.gz PYJALTMILYDCKO-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001752962384 1440253514 /nfs/dbraw/zinc/25/35/14/1440253514.db2.gz DJWDBONRKOCAOA-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CC/C=C\CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001752991988 1440259699 /nfs/dbraw/zinc/25/96/99/1440259699.db2.gz BXLJTNUDULHTHB-MGBKSAOESA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001752991988 1440259700 /nfs/dbraw/zinc/25/97/00/1440259700.db2.gz BXLJTNUDULHTHB-MGBKSAOESA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001752991988 1440259701 /nfs/dbraw/zinc/25/97/01/1440259701.db2.gz BXLJTNUDULHTHB-MGBKSAOESA-N 2 1 335.536 3.140 20 0 EGADMP C[C@@H](C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCC1)[NH+]1CCCCCC1 ZINC001753036351 1440274910 /nfs/dbraw/zinc/27/49/10/1440274910.db2.gz WXNAVOWSUBZABW-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001753038692 1440275577 /nfs/dbraw/zinc/27/55/77/1440275577.db2.gz WMOLJFCPVXADGU-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001753039956 1440275942 /nfs/dbraw/zinc/27/59/42/1440275942.db2.gz NVVGDLKAMZMEOC-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001753039956 1440275943 /nfs/dbraw/zinc/27/59/43/1440275943.db2.gz NVVGDLKAMZMEOC-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001753055226 1440281111 /nfs/dbraw/zinc/28/11/11/1440281111.db2.gz LTBLDZBWSPABFW-WOJBJXKFSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001753055226 1440281112 /nfs/dbraw/zinc/28/11/12/1440281112.db2.gz LTBLDZBWSPABFW-WOJBJXKFSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001753055226 1440281113 /nfs/dbraw/zinc/28/11/13/1440281113.db2.gz LTBLDZBWSPABFW-WOJBJXKFSA-N 2 1 345.531 3.306 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC001753066822 1440285660 /nfs/dbraw/zinc/28/56/60/1440285660.db2.gz BXLKHVCAIKPJLF-QGZVFWFLSA-N 2 1 342.487 3.089 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC[N@H+](C)[C@H](C)c1cccc(C)c1 ZINC001753066822 1440285661 /nfs/dbraw/zinc/28/56/61/1440285661.db2.gz BXLKHVCAIKPJLF-QGZVFWFLSA-N 2 1 342.487 3.089 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)CC1CCCC1 ZINC001753083067 1440295019 /nfs/dbraw/zinc/29/50/19/1440295019.db2.gz UFLFDCZXBDAURH-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)CC1CCCC1 ZINC001753083067 1440295020 /nfs/dbraw/zinc/29/50/20/1440295020.db2.gz UFLFDCZXBDAURH-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)CC1CCCC1 ZINC001753083067 1440295021 /nfs/dbraw/zinc/29/50/21/1440295021.db2.gz UFLFDCZXBDAURH-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[NH+](CC)CC ZINC001753112270 1440309006 /nfs/dbraw/zinc/30/90/06/1440309006.db2.gz ZLTSFEYJMYCAKN-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1cc(C)ccc1C ZINC001753115586 1440311154 /nfs/dbraw/zinc/31/11/54/1440311154.db2.gz FJRIEACZFMBTGI-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1C ZINC001753115586 1440311155 /nfs/dbraw/zinc/31/11/55/1440311155.db2.gz FJRIEACZFMBTGI-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1C ZINC001753115586 1440311156 /nfs/dbraw/zinc/31/11/56/1440311156.db2.gz FJRIEACZFMBTGI-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH+](CC1CCC1)C1CC1 ZINC001753155405 1440330688 /nfs/dbraw/zinc/33/06/88/1440330688.db2.gz LILHJSAJELYVPC-UHFFFAOYSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)NCC[N@H+](CC1CCC1)C1CC1 ZINC001753155405 1440330689 /nfs/dbraw/zinc/33/06/89/1440330689.db2.gz LILHJSAJELYVPC-UHFFFAOYSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)NCC[N@@H+](CC1CCC1)C1CC1 ZINC001753155405 1440330690 /nfs/dbraw/zinc/33/06/90/1440330690.db2.gz LILHJSAJELYVPC-UHFFFAOYSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001753213106 1440339291 /nfs/dbraw/zinc/33/92/91/1440339291.db2.gz VNZTZYFOGYMZPN-KRWDZBQOSA-N 2 1 342.487 3.124 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001753273417 1440345833 /nfs/dbraw/zinc/34/58/33/1440345833.db2.gz BOTYDRWWBBYOST-OYCQEXPWSA-N 2 1 349.563 3.290 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+]CCC(C)(C)C)CC1 ZINC001753279885 1440347109 /nfs/dbraw/zinc/34/71/09/1440347109.db2.gz AIPIGIXDCDPBQT-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001753280013 1440347188 /nfs/dbraw/zinc/34/71/88/1440347188.db2.gz BRKDOCARXZJWGD-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1ccccc1 ZINC001753295543 1440352245 /nfs/dbraw/zinc/35/22/45/1440352245.db2.gz VYCBPZKHDJECHB-RTBURBONSA-N 2 1 345.531 3.276 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)c2ccccc2)CC[N@H+]1C ZINC001753298463 1440353231 /nfs/dbraw/zinc/35/32/31/1440353231.db2.gz IDHPPOBKXSOJGD-BHIYHBOVSA-N 2 1 345.531 3.210 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]([NH2+]CCC(C)(C)C)c1ccccc1 ZINC001753302967 1440354722 /nfs/dbraw/zinc/35/47/22/1440354722.db2.gz MQGLDASDYBAZGD-GOSISDBHSA-N 2 1 342.487 3.075 20 0 EGADMP CC1CC[NH+](CC(=O)NCC[C@@H]2CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001753340053 1440374701 /nfs/dbraw/zinc/37/47/01/1440374701.db2.gz XLBICWARYYWEIL-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001753368577 1440386714 /nfs/dbraw/zinc/38/67/14/1440386714.db2.gz XWIKHJOZLJUYNQ-HSALFYBXSA-N 2 1 345.531 3.305 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001753428815 1440397612 /nfs/dbraw/zinc/39/76/12/1440397612.db2.gz WITIEIXXGAQVFC-IFEVLTCRSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001753428815 1440397613 /nfs/dbraw/zinc/39/76/13/1440397613.db2.gz WITIEIXXGAQVFC-IFEVLTCRSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001753428815 1440397614 /nfs/dbraw/zinc/39/76/14/1440397614.db2.gz WITIEIXXGAQVFC-IFEVLTCRSA-N 2 1 347.547 3.188 20 0 EGADMP CCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001753445415 1440403541 /nfs/dbraw/zinc/40/35/41/1440403541.db2.gz LLUBHARBADTFQZ-OALUTQOASA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001753445415 1440403542 /nfs/dbraw/zinc/40/35/42/1440403542.db2.gz LLUBHARBADTFQZ-OALUTQOASA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001753445415 1440403543 /nfs/dbraw/zinc/40/35/43/1440403543.db2.gz LLUBHARBADTFQZ-OALUTQOASA-N 2 1 337.552 3.362 20 0 EGADMP CCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001753457276 1440408843 /nfs/dbraw/zinc/40/88/43/1440408843.db2.gz MXAAOPNOKZBOFI-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CCN(C(=O)C[N@H+](C)C1CCC1)[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001753457276 1440408844 /nfs/dbraw/zinc/40/88/44/1440408844.db2.gz MXAAOPNOKZBOFI-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CCN(C(=O)C[N@@H+](C)C1CCC1)[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001753457276 1440408845 /nfs/dbraw/zinc/40/88/45/1440408845.db2.gz MXAAOPNOKZBOFI-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001753461102 1440410731 /nfs/dbraw/zinc/41/07/31/1440410731.db2.gz DLRDSDJJMWYXJQ-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001753461102 1440410732 /nfs/dbraw/zinc/41/07/32/1440410732.db2.gz DLRDSDJJMWYXJQ-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001753461102 1440410733 /nfs/dbraw/zinc/41/07/33/1440410733.db2.gz DLRDSDJJMWYXJQ-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP CCc1ccccc1C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001753471497 1440414073 /nfs/dbraw/zinc/41/40/73/1440414073.db2.gz NWWKPZRMOBXODP-WOJBJXKFSA-N 2 1 345.531 3.106 20 0 EGADMP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)[NH2+]CC1CCCCC1 ZINC001753488725 1440418699 /nfs/dbraw/zinc/41/86/99/1440418699.db2.gz SDVNLUYHNHVSLJ-OALUTQOASA-N 2 1 337.552 3.314 20 0 EGADMP CCC/C=C\CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001753503472 1440424043 /nfs/dbraw/zinc/42/40/43/1440424043.db2.gz HGHSOMDLHDWBAR-XXCOWLKOSA-N 2 1 335.536 3.092 20 0 EGADMP CC(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001753547926 1440434511 /nfs/dbraw/zinc/43/45/11/1440434511.db2.gz JQYHJXSDVPMWBZ-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP O=C([C@@H]1CCC[C@@H]2CCC[N@H+]21)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001753575472 1440439215 /nfs/dbraw/zinc/43/92/15/1440439215.db2.gz IXWXCYRDBQATCF-UXHICEINSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(CC[NH2+]CC3CCCCC3)CC2)C1 ZINC001753576727 1440439428 /nfs/dbraw/zinc/43/94/28/1440439428.db2.gz FRCWFLCBBDOGPA-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001753587359 1440441786 /nfs/dbraw/zinc/44/17/86/1440441786.db2.gz SVXZOIIIOGWOEI-VJANTYMQSA-N 2 1 337.552 3.027 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCC(C)C)CC1 ZINC001753588008 1440441946 /nfs/dbraw/zinc/44/19/46/1440441946.db2.gz WRCMROSKCRFMKR-FHWLQOOXSA-N 2 1 337.552 3.314 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)C(C)C)c1 ZINC001753645425 1440455663 /nfs/dbraw/zinc/45/56/63/1440455663.db2.gz ZEYMRKHDKBPIPO-WMZOPIPTSA-N 2 1 333.520 3.047 20 0 EGADMP CC[C@H](C)C[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCCC1 ZINC001753668447 1440461064 /nfs/dbraw/zinc/46/10/64/1440461064.db2.gz GZWAQBVDJAYKIH-INIZCTEOSA-N 2 1 325.541 3.029 20 0 EGADMP C[C@@H](C[NH2+]CC1CCCCC1)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001753729223 1440475331 /nfs/dbraw/zinc/47/53/31/1440475331.db2.gz IPQGJHRBQSKERW-PXNSSMCTSA-N 2 1 345.531 3.306 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCCCC1)C1CCC1 ZINC001753780383 1440487229 /nfs/dbraw/zinc/48/72/29/1440487229.db2.gz VQGQMHCUSVBMMW-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CCC(CC[N@@H+](C)CC3CC3)CC2)CC1 ZINC001753823635 1440497469 /nfs/dbraw/zinc/49/74/69/1440497469.db2.gz MAMGIZXAQPOAOQ-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H](C(=O)N(C)CC[N@@H+](C)CCCC1CCC1)[NH+]1CCCCCC1 ZINC001753864767 1440513704 /nfs/dbraw/zinc/51/37/04/1440513704.db2.gz VPXUGDMJMRNFSR-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP C[C@@H](CC[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001753992346 1440529203 /nfs/dbraw/zinc/52/92/03/1440529203.db2.gz FOTSOTICEOHQQV-ULQDDVLXSA-N 2 1 325.541 3.027 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1ccccc1Cl)C(=O)C[N@@H+](C)C(C)C ZINC001754084298 1440539913 /nfs/dbraw/zinc/53/99/13/1440539913.db2.gz DZNAOLSKQYRTFP-HNNXBMFYSA-N 2 1 339.911 3.179 20 0 EGADMP C[C@@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1cccc(Cl)c1 ZINC001754122268 1440542844 /nfs/dbraw/zinc/54/28/44/1440542844.db2.gz ZBUKRMXKGRMJTR-NYZDRWPISA-N 2 1 349.906 3.003 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C(C)C ZINC001754296584 1440566400 /nfs/dbraw/zinc/56/64/00/1440566400.db2.gz RDYQRTNZWFDALF-FXAWDEMLSA-N 2 1 345.531 3.279 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001754330755 1440583686 /nfs/dbraw/zinc/58/36/86/1440583686.db2.gz NTQMPKJWRGCLDF-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001754330755 1440583687 /nfs/dbraw/zinc/58/36/87/1440583687.db2.gz NTQMPKJWRGCLDF-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001754330755 1440583688 /nfs/dbraw/zinc/58/36/88/1440583688.db2.gz NTQMPKJWRGCLDF-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001754407953 1440595954 /nfs/dbraw/zinc/59/59/54/1440595954.db2.gz RPUISOULPBAUII-LJQANCHMSA-N 2 1 345.531 3.090 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001754482732 1440607834 /nfs/dbraw/zinc/60/78/34/1440607834.db2.gz RHHQJCCITVTLOE-WMZOPIPTSA-N 2 1 346.519 3.167 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001754482732 1440607835 /nfs/dbraw/zinc/60/78/35/1440607835.db2.gz RHHQJCCITVTLOE-WMZOPIPTSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001754505072 1440616002 /nfs/dbraw/zinc/61/60/02/1440616002.db2.gz PZMCRPGUSMCDKQ-ICSRJNTNSA-N 2 1 343.515 3.204 20 0 EGADMP CC(C)C[N@@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)C1CCCCCC1 ZINC001754547881 1440628453 /nfs/dbraw/zinc/62/84/53/1440628453.db2.gz UWGMYSSKXARGFW-NRFANRHFSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[NH+](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CCCCCC1 ZINC001754547881 1440628454 /nfs/dbraw/zinc/62/84/54/1440628454.db2.gz UWGMYSSKXARGFW-NRFANRHFSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[NH+](CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CCCCCC1 ZINC001754547881 1440628455 /nfs/dbraw/zinc/62/84/55/1440628455.db2.gz UWGMYSSKXARGFW-NRFANRHFSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001754557984 1440632642 /nfs/dbraw/zinc/63/26/42/1440632642.db2.gz USFURCXHUJDGJY-OLEQZPESSA-N 2 1 347.547 3.142 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001754557984 1440632643 /nfs/dbraw/zinc/63/26/43/1440632643.db2.gz USFURCXHUJDGJY-OLEQZPESSA-N 2 1 347.547 3.142 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001754557984 1440632644 /nfs/dbraw/zinc/63/26/44/1440632644.db2.gz USFURCXHUJDGJY-OLEQZPESSA-N 2 1 347.547 3.142 20 0 EGADMP CCc1cccc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C2)c1 ZINC001754602937 1440642839 /nfs/dbraw/zinc/64/28/39/1440642839.db2.gz FFPIXZQSTXTOEB-PXNSSMCTSA-N 2 1 345.531 3.058 20 0 EGADMP CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001754649305 1440651536 /nfs/dbraw/zinc/65/15/36/1440651536.db2.gz IQZIVOUUCLEGTR-UXHICEINSA-N 2 1 349.563 3.458 20 0 EGADMP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCC1 ZINC001754650037 1440651577 /nfs/dbraw/zinc/65/15/77/1440651577.db2.gz MTSGSZCPTYYHSJ-ATZDWAIDSA-N 2 1 337.552 3.027 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCC1 ZINC001754650403 1440651783 /nfs/dbraw/zinc/65/17/83/1440651783.db2.gz LDNUXYUXQJHEPU-QZTJIDSGSA-N 2 1 337.552 3.172 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001754679316 1440661350 /nfs/dbraw/zinc/66/13/50/1440661350.db2.gz PHMFKPWGNULOJD-UYAOXDASSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001754682795 1440663363 /nfs/dbraw/zinc/66/33/63/1440663363.db2.gz FHNVSFVNSYCLOZ-JXFKEZNVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001754682795 1440663364 /nfs/dbraw/zinc/66/33/64/1440663364.db2.gz FHNVSFVNSYCLOZ-JXFKEZNVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC001754682795 1440663365 /nfs/dbraw/zinc/66/33/65/1440663365.db2.gz FHNVSFVNSYCLOZ-JXFKEZNVSA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001754685054 1440664610 /nfs/dbraw/zinc/66/46/10/1440664610.db2.gz CSVCMEVBKTYNFC-HXUWFJFHSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001754718617 1440672423 /nfs/dbraw/zinc/67/24/23/1440672423.db2.gz HOTDWCCNRNYMQQ-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001754732422 1440680492 /nfs/dbraw/zinc/68/04/92/1440680492.db2.gz UJBZCFHLKHNQDS-HXUWFJFHSA-N 2 1 337.552 3.127 20 0 EGADMP CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001754834740 1440696608 /nfs/dbraw/zinc/69/66/08/1440696608.db2.gz XJRPDNXYMIFAIO-VJANTYMQSA-N 2 1 337.552 3.029 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001754871824 1440705406 /nfs/dbraw/zinc/70/54/06/1440705406.db2.gz MTQVWDLHGIYTIQ-MOPGFXCFSA-N 2 1 335.536 3.118 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001754919723 1440709168 /nfs/dbraw/zinc/70/91/68/1440709168.db2.gz VZISHMNREJWGKC-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCC1 ZINC001754982644 1440721669 /nfs/dbraw/zinc/72/16/69/1440721669.db2.gz LURNJLQUUMAHOZ-ZWKOTPCHSA-N 2 1 335.536 3.212 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCC3CCCCCC3)CCC2)C1 ZINC001754991405 1440724535 /nfs/dbraw/zinc/72/45/35/1440724535.db2.gz KULSMHUUPRGPAX-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001755033729 1440733143 /nfs/dbraw/zinc/73/31/43/1440733143.db2.gz DEWCWECQFYHCBA-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CCC/C=C\CC[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001755134973 1440757953 /nfs/dbraw/zinc/75/79/53/1440757953.db2.gz BGNBNFXJBQYGOV-HPFMTEOYSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CCC1CCCC1 ZINC001755162447 1440765228 /nfs/dbraw/zinc/76/52/28/1440765228.db2.gz VFNHGHHIFGMZNB-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001755183975 1440772320 /nfs/dbraw/zinc/77/23/20/1440772320.db2.gz VFPCMYNSTYLNIW-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001755183975 1440772321 /nfs/dbraw/zinc/77/23/21/1440772321.db2.gz VFPCMYNSTYLNIW-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001755183975 1440772322 /nfs/dbraw/zinc/77/23/22/1440772322.db2.gz VFPCMYNSTYLNIW-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001755199326 1440778606 /nfs/dbraw/zinc/77/86/06/1440778606.db2.gz UXEFLHWEYUSQKU-GOSISDBHSA-N 2 1 339.568 3.323 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001755199326 1440778607 /nfs/dbraw/zinc/77/86/07/1440778607.db2.gz UXEFLHWEYUSQKU-GOSISDBHSA-N 2 1 339.568 3.323 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001755199326 1440778608 /nfs/dbraw/zinc/77/86/08/1440778608.db2.gz UXEFLHWEYUSQKU-GOSISDBHSA-N 2 1 339.568 3.323 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H]2C[N@H+](C)CCCC2CCCC2)C1 ZINC001755199446 1440778821 /nfs/dbraw/zinc/77/88/21/1440778821.db2.gz WTMDYLCLTIKOME-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H]2C[N@@H+](C)CCCC2CCCC2)C1 ZINC001755199446 1440778822 /nfs/dbraw/zinc/77/88/22/1440778822.db2.gz WTMDYLCLTIKOME-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001755313218 1440814270 /nfs/dbraw/zinc/81/42/70/1440814270.db2.gz KNIJQJJEYZLLSI-SJORKVTESA-N 2 1 347.547 3.433 20 0 EGADMP O=C(NC1(C[NH2+]CC2CCC2)CCCCC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001755352848 1440828386 /nfs/dbraw/zinc/82/83/86/1440828386.db2.gz PBLYTLIMRVDPSJ-RTBURBONSA-N 2 1 347.547 3.212 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CCCC1)c1ccccc1 ZINC001755610537 1440886822 /nfs/dbraw/zinc/88/68/22/1440886822.db2.gz ONAFLWJSBAZLRX-FXAWDEMLSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)[C@@H]1C ZINC001755666614 1440893471 /nfs/dbraw/zinc/89/34/71/1440893471.db2.gz GOUORMJOJMVQOO-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)[C@H]1C ZINC001755666613 1440893522 /nfs/dbraw/zinc/89/35/22/1440893522.db2.gz GOUORMJOJMVQOO-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001755703518 1440901322 /nfs/dbraw/zinc/90/13/22/1440901322.db2.gz YKERFBGOFPKUCG-UYAOXDASSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001755703518 1440901323 /nfs/dbraw/zinc/90/13/23/1440901323.db2.gz YKERFBGOFPKUCG-UYAOXDASSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001755703518 1440901324 /nfs/dbraw/zinc/90/13/24/1440901324.db2.gz YKERFBGOFPKUCG-UYAOXDASSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CC1CCCCC1)CC2 ZINC001755704926 1440902136 /nfs/dbraw/zinc/90/21/36/1440902136.db2.gz RWMDPECDRFDBNY-UYAOXDASSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@]12CCC[C@H]1[N@H+](CC1CCCCC1)CC2 ZINC001755704926 1440902137 /nfs/dbraw/zinc/90/21/37/1440902137.db2.gz RWMDPECDRFDBNY-UYAOXDASSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC1CCCCC1)CC2 ZINC001755704926 1440902138 /nfs/dbraw/zinc/90/21/38/1440902138.db2.gz RWMDPECDRFDBNY-UYAOXDASSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)[C@H](C[NH2+]CC1CC1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755822119 1440926024 /nfs/dbraw/zinc/92/60/24/1440926024.db2.gz NMPWSIBGENTOPN-HKUYNNGSSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)(C)[C@@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755822120 1440926092 /nfs/dbraw/zinc/92/60/92/1440926092.db2.gz NMPWSIBGENTOPN-IEBWSBKVSA-N 2 1 349.563 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(C3C[NH2+]C3)CC2)nc1 ZINC001164615128 719038010 /nfs/dbraw/zinc/03/80/10/719038010.db2.gz JWZGQPVJOPMAEN-LJQANCHMSA-N 2 1 328.504 3.064 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]c3nccnc23)[C@@H]1c1cccs1 ZINC000368217257 168326274 /nfs/dbraw/zinc/32/62/74/168326274.db2.gz XDDYQQQNTBBOAV-SUMWQHHRSA-N 2 1 341.484 3.144 20 0 EGADMP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000181721378 529501433 /nfs/dbraw/zinc/50/14/33/529501433.db2.gz IFNVMZZWJPUIET-CVEARBPZSA-N 2 1 329.488 3.282 20 0 EGADMP COc1cc2c(c(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)c1)O[C@H](C)C2 ZINC000103341060 219292686 /nfs/dbraw/zinc/29/26/86/219292686.db2.gz LYALFAHACDRFON-CYBMUJFWSA-N 2 1 332.488 3.417 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC[NH2+]1 ZINC000414950949 309110839 /nfs/dbraw/zinc/11/08/39/309110839.db2.gz PGBGNGUYXOSBBZ-ONGXEEELSA-N 2 1 349.219 3.281 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000359470999 283184241 /nfs/dbraw/zinc/18/42/41/283184241.db2.gz KXDAWVGKSBVFOC-SCTDSRPQSA-N 2 1 348.535 3.097 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749778 549325982 /nfs/dbraw/zinc/32/59/82/549325982.db2.gz SOEZKMMMSSVRTQ-UXHICEINSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749778 549325986 /nfs/dbraw/zinc/32/59/86/549325986.db2.gz SOEZKMMMSSVRTQ-UXHICEINSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000188118715 201044969 /nfs/dbraw/zinc/04/49/69/201044969.db2.gz MXNGXGJUTZEKOU-UKRRQHHQSA-N 2 1 337.305 3.454 20 0 EGADMP COc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1Br ZINC000276524330 201295876 /nfs/dbraw/zinc/29/58/76/201295876.db2.gz CNUKLLJODMXECY-NSHDSACASA-N 2 1 338.249 3.085 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749778 549325990 /nfs/dbraw/zinc/32/59/90/549325990.db2.gz SOEZKMMMSSVRTQ-UXHICEINSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749778 549325992 /nfs/dbraw/zinc/32/59/92/549325992.db2.gz SOEZKMMMSSVRTQ-UXHICEINSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749778 549325995 /nfs/dbraw/zinc/32/59/95/549325995.db2.gz SOEZKMMMSSVRTQ-UXHICEINSA-N 2 1 329.532 3.359 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1F ZINC000193993629 240392364 /nfs/dbraw/zinc/39/23/64/240392364.db2.gz JJFRXIAJNKOEDG-ATZDWAIDSA-N 2 1 341.430 3.367 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000181536505 299386297 /nfs/dbraw/zinc/38/62/97/299386297.db2.gz PSHDMTSDYCNUKR-FKPGQJDZSA-N 2 1 346.515 3.384 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000181536505 299386301 /nfs/dbraw/zinc/38/63/01/299386301.db2.gz PSHDMTSDYCNUKR-FKPGQJDZSA-N 2 1 346.515 3.384 20 0 EGADMP C[NH2+]CCC1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000093996647 203500227 /nfs/dbraw/zinc/50/02/27/203500227.db2.gz CUFSSOIFAUPMCC-UHFFFAOYSA-N 2 1 329.257 3.410 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000105443242 204145644 /nfs/dbraw/zinc/14/56/44/204145644.db2.gz HZVWPBDPHNLTCG-HNNXBMFYSA-N 2 1 337.471 3.420 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000109786018 204292492 /nfs/dbraw/zinc/29/24/92/204292492.db2.gz BHDCMSFLAIHDIF-UHFFFAOYSA-N 2 1 328.456 3.408 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000109786018 204292496 /nfs/dbraw/zinc/29/24/96/204292496.db2.gz BHDCMSFLAIHDIF-UHFFFAOYSA-N 2 1 328.456 3.408 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccccc2Cl)CC1 ZINC000109788744 204293980 /nfs/dbraw/zinc/29/39/80/204293980.db2.gz NUWAYDDVYHSDSM-UHFFFAOYSA-N 2 1 337.895 3.475 20 0 EGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)cc1Cl ZINC000128303482 205143776 /nfs/dbraw/zinc/14/37/76/205143776.db2.gz MDYQJRFHBFWXGM-AWEZNQCLSA-N 2 1 327.875 3.157 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2)cc1 ZINC000130382775 205237640 /nfs/dbraw/zinc/23/76/40/205237640.db2.gz UTOXCPGULZNGSV-UZLBHIALSA-N 2 1 335.451 3.435 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)c(F)c(F)c1 ZINC000132941522 205347736 /nfs/dbraw/zinc/34/77/36/205347736.db2.gz XLIJTZAGHPOSFL-CHWSQXEVSA-N 2 1 342.405 3.255 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000157954800 206165618 /nfs/dbraw/zinc/16/56/18/206165618.db2.gz VFFITHJCVYABET-MSOLQXFVSA-N 2 1 341.503 3.430 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000266192347 248162103 /nfs/dbraw/zinc/16/21/03/248162103.db2.gz XGECKIUDBVQZAZ-INIZCTEOSA-N 2 1 329.488 3.341 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000266192350 248162385 /nfs/dbraw/zinc/16/23/85/248162385.db2.gz XGECKIUDBVQZAZ-MRXNPFEDSA-N 2 1 329.488 3.341 20 0 EGADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000378632933 169150433 /nfs/dbraw/zinc/15/04/33/169150433.db2.gz NKOVIQJGGPPAJC-HUYLIWGRSA-N 2 1 334.479 3.330 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)CC[NH+](C)C)c1 ZINC000177529986 207349250 /nfs/dbraw/zinc/34/92/50/207349250.db2.gz GRAVDFUHNZTZII-UHFFFAOYSA-N 2 1 343.475 3.080 20 0 EGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000268724651 252173453 /nfs/dbraw/zinc/17/34/53/252173453.db2.gz JDNBZKOSAGQXNX-KRWDZBQOSA-N 2 1 344.503 3.382 20 0 EGADMP COCCOc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1OC ZINC000268736385 252185657 /nfs/dbraw/zinc/18/56/57/252185657.db2.gz BUKZRZVFEWSCRZ-MRXNPFEDSA-N 2 1 338.492 3.101 20 0 EGADMP COCCOc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1OC ZINC000268736385 252185659 /nfs/dbraw/zinc/18/56/59/252185659.db2.gz BUKZRZVFEWSCRZ-MRXNPFEDSA-N 2 1 338.492 3.101 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000268833795 252283226 /nfs/dbraw/zinc/28/32/26/252283226.db2.gz ARHYHVDERYEFPE-SFTDATJTSA-N 2 1 329.532 3.330 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)c1 ZINC000119331074 221297010 /nfs/dbraw/zinc/29/70/10/221297010.db2.gz BMESHYGRIKXJOD-GOSISDBHSA-N 2 1 333.520 3.298 20 0 EGADMP C[C@@H](CC[NH2+]Cc1cncc(Br)c1)[NH+]1CCCCC1 ZINC000183766759 533608321 /nfs/dbraw/zinc/60/83/21/533608321.db2.gz ZZZBLJWOALKMIQ-ZDUSSCGKSA-N 2 1 326.282 3.198 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@]3(C)CCCC[NH2+]3)cc2)C1 ZINC000237476148 141004111 /nfs/dbraw/zinc/00/41/11/141004111.db2.gz JPUYHWLZOYQFAT-DYESRHJHSA-N 2 1 343.515 3.067 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000246532237 141014034 /nfs/dbraw/zinc/01/40/34/141014034.db2.gz VLJHIBBRXPZRSU-UXLLHSPISA-N 2 1 328.460 3.160 20 0 EGADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc2cccnc12 ZINC000346222579 141184315 /nfs/dbraw/zinc/18/43/15/141184315.db2.gz PELTVBDYYRQTGA-SLFFLAALSA-N 2 1 339.483 3.227 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000346264229 141188086 /nfs/dbraw/zinc/18/80/86/141188086.db2.gz GTEZJHACOWOFFL-CQSZACIVSA-N 2 1 328.391 3.351 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000346264229 141188088 /nfs/dbraw/zinc/18/80/88/141188088.db2.gz GTEZJHACOWOFFL-CQSZACIVSA-N 2 1 328.391 3.351 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000346286627 141191895 /nfs/dbraw/zinc/19/18/95/141191895.db2.gz RFEVYMNDUZIJBC-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000346286627 141191898 /nfs/dbraw/zinc/19/18/98/141191898.db2.gz RFEVYMNDUZIJBC-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000346286627 141191900 /nfs/dbraw/zinc/19/19/00/141191900.db2.gz RFEVYMNDUZIJBC-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cc([C@H]([NH2+]CC2=CC[N@H+](C)CC2)c2cccnc2)ccc1F ZINC000346619087 141205602 /nfs/dbraw/zinc/20/56/02/141205602.db2.gz GOAYJHFNHDHKBY-FQEVSTJZSA-N 2 1 325.431 3.470 20 0 EGADMP Cc1cc([C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2cccnc2)ccc1F ZINC000346619087 141205603 /nfs/dbraw/zinc/20/56/03/141205603.db2.gz GOAYJHFNHDHKBY-FQEVSTJZSA-N 2 1 325.431 3.470 20 0 EGADMP COc1cc[nH+]c(N2CCN([C@H](C)c3ccc(F)c(F)c3)CC2)c1 ZINC000171613271 144007562 /nfs/dbraw/zinc/00/75/62/144007562.db2.gz UPPKGVNCROISBW-CYBMUJFWSA-N 2 1 333.382 3.252 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000178698964 144075207 /nfs/dbraw/zinc/07/52/07/144075207.db2.gz SZSUAMHBNUIQAF-FXAWDEMLSA-N 3 1 326.488 3.082 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)s1 ZINC000183949669 144082407 /nfs/dbraw/zinc/08/24/07/144082407.db2.gz ZYUVBWSVCAFDQT-CQSZACIVSA-N 2 1 339.549 3.413 20 0 EGADMP CC(C)CCn1cccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000344795946 144226092 /nfs/dbraw/zinc/22/60/92/144226092.db2.gz PYLUEOSZPZFXRZ-WOJBJXKFSA-N 2 1 333.520 3.002 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351480523 144266906 /nfs/dbraw/zinc/26/69/06/144266906.db2.gz VNYRNOARLZLTAT-ONIAQPFYSA-N 2 1 329.488 3.115 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351480523 144266908 /nfs/dbraw/zinc/26/69/08/144266908.db2.gz VNYRNOARLZLTAT-ONIAQPFYSA-N 2 1 329.488 3.115 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)N(c3ccccc3)C3CCCCC3)C[C@@H]12 ZINC000351490131 144268658 /nfs/dbraw/zinc/26/86/58/144268658.db2.gz IFGWURLPWHRAGT-PWIZWCRZSA-N 2 1 341.499 3.021 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)N(c3ccccc3)C3CCCCC3)C[C@@H]12 ZINC000351490131 144268659 /nfs/dbraw/zinc/26/86/59/144268659.db2.gz IFGWURLPWHRAGT-PWIZWCRZSA-N 2 1 341.499 3.021 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCOc3cccc(C(F)(F)F)c3)C[C@H]12 ZINC000351495025 144269532 /nfs/dbraw/zinc/26/95/32/144269532.db2.gz OTAPXTSCQFRSEI-VBNZEHGJSA-N 2 1 328.378 3.143 20 0 EGADMP C[NH+](C)CCCC1CC[NH+](Cc2nc(-c3ccccc3F)no2)CC1 ZINC000189145945 153053441 /nfs/dbraw/zinc/05/34/41/153053441.db2.gz YXNFWHVTOONOBQ-UHFFFAOYSA-N 2 1 346.450 3.430 20 0 EGADMP CCS[C@H]1CCCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191491476 153199679 /nfs/dbraw/zinc/19/96/79/153199679.db2.gz KORTWJRMMVDEBQ-SFHVURJKSA-N 2 1 327.582 3.010 20 0 EGADMP CCOc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OCC ZINC000192601080 153251298 /nfs/dbraw/zinc/25/12/98/153251298.db2.gz YKGRTDVQSHMIOV-AYHJJNSGSA-N 2 1 332.488 3.241 20 0 EGADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1 ZINC000192925931 153268668 /nfs/dbraw/zinc/26/86/68/153268668.db2.gz NTYQBOULXNKTJV-GOSISDBHSA-N 2 1 340.467 3.316 20 0 EGADMP c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192926215 153269219 /nfs/dbraw/zinc/26/92/19/153269219.db2.gz RAJAUYYQPOWYPP-GOSISDBHSA-N 2 1 347.466 3.083 20 0 EGADMP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000311151748 154147905 /nfs/dbraw/zinc/14/79/05/154147905.db2.gz NIWGQPPFKXFFDF-ICSRJNTNSA-N 2 1 338.499 3.299 20 0 EGADMP COC1(CC[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000336663038 154209458 /nfs/dbraw/zinc/20/94/58/154209458.db2.gz WKOGOVLDENZAEC-WOJBJXKFSA-N 2 1 328.500 3.400 20 0 EGADMP COC1(CC[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000336663038 154209462 /nfs/dbraw/zinc/20/94/62/154209462.db2.gz WKOGOVLDENZAEC-WOJBJXKFSA-N 2 1 328.500 3.400 20 0 EGADMP COC1(CC[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000336663038 154209465 /nfs/dbraw/zinc/20/94/65/154209465.db2.gz WKOGOVLDENZAEC-WOJBJXKFSA-N 2 1 328.500 3.400 20 0 EGADMP CC[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000337568513 154420554 /nfs/dbraw/zinc/42/05/54/154420554.db2.gz BJYZBEYTEYYKNK-VQTJNVASSA-N 2 1 345.531 3.055 20 0 EGADMP Cc1cnc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)n1C ZINC000341039220 155127645 /nfs/dbraw/zinc/12/76/45/155127645.db2.gz NILSPUXQTOFNGF-UHFFFAOYSA-N 2 1 326.488 3.394 20 0 EGADMP CCCOc1c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cccc1OCC ZINC000346830147 156155366 /nfs/dbraw/zinc/15/53/66/156155366.db2.gz KABFHGJLLNJBGR-SZMVWBNQSA-N 2 1 332.488 3.433 20 0 EGADMP COc1cc(C)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000093683695 162023149 /nfs/dbraw/zinc/02/31/49/162023149.db2.gz STXLWCAMTNBDGO-KRWDZBQOSA-N 2 1 332.488 3.320 20 0 EGADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000093683695 162023161 /nfs/dbraw/zinc/02/31/61/162023161.db2.gz STXLWCAMTNBDGO-KRWDZBQOSA-N 2 1 332.488 3.320 20 0 EGADMP C[N@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)CC1CC[NH+](C)CC1 ZINC000093791100 162028230 /nfs/dbraw/zinc/02/82/30/162028230.db2.gz ZAPHAYIYDZDVAR-FQEVSTJZSA-N 2 1 332.488 3.018 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000113512424 162212614 /nfs/dbraw/zinc/21/26/14/162212614.db2.gz GBRKQOWBGWDWPB-GOSISDBHSA-N 2 1 337.467 3.322 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000113512424 162212617 /nfs/dbraw/zinc/21/26/17/162212617.db2.gz GBRKQOWBGWDWPB-GOSISDBHSA-N 2 1 337.467 3.322 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccn(C)c3)CC2)cs1 ZINC000125350812 162269594 /nfs/dbraw/zinc/26/95/94/162269594.db2.gz PAYKVHJLSDOHFE-UHFFFAOYSA-N 2 1 332.517 3.046 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000125460339 162273481 /nfs/dbraw/zinc/27/34/81/162273481.db2.gz MQPKUZOKBMQSNM-UHFFFAOYSA-N 2 1 326.488 3.411 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000249089728 163055488 /nfs/dbraw/zinc/05/54/88/163055488.db2.gz KDENHHGLPDEEFY-NCYKPQTJSA-N 2 1 340.511 3.446 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccc(C)nc2)[C@H](C)C1 ZINC000354334350 166005151 /nfs/dbraw/zinc/00/51/51/166005151.db2.gz MULZMEXSWVBVAG-YLJYHZDGSA-N 2 1 333.520 3.049 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CCCO1 ZINC000337267919 163187924 /nfs/dbraw/zinc/18/79/24/163187924.db2.gz WYHVIGXMXHYVIN-GGPKGHCWSA-N 2 1 331.504 3.198 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CCCO1 ZINC000337267919 163187925 /nfs/dbraw/zinc/18/79/25/163187925.db2.gz WYHVIGXMXHYVIN-GGPKGHCWSA-N 2 1 331.504 3.198 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccc(C)nc2)[C@@H](C)C1 ZINC000354334344 166005176 /nfs/dbraw/zinc/00/51/76/166005176.db2.gz MULZMEXSWVBVAG-FXAWDEMLSA-N 2 1 333.520 3.049 20 0 EGADMP CCc1oc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1C(=O)OC ZINC000338943225 163395494 /nfs/dbraw/zinc/39/54/94/163395494.db2.gz WDNPHKPRXLLNPU-HNNXBMFYSA-N 2 1 336.476 3.230 20 0 EGADMP CCn1ccnc1CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000343732663 164022001 /nfs/dbraw/zinc/02/20/01/164022001.db2.gz IMCBBSJMRYWFHE-UHFFFAOYSA-N 2 1 326.488 3.247 20 0 EGADMP CCn1ccnc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000343732663 164022002 /nfs/dbraw/zinc/02/20/02/164022002.db2.gz IMCBBSJMRYWFHE-UHFFFAOYSA-N 2 1 326.488 3.247 20 0 EGADMP CCn1ccnc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000343732663 164022003 /nfs/dbraw/zinc/02/20/03/164022003.db2.gz IMCBBSJMRYWFHE-UHFFFAOYSA-N 2 1 326.488 3.247 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)cc1 ZINC000343808525 164039674 /nfs/dbraw/zinc/03/96/74/164039674.db2.gz BMTRLTUILOQVLA-UZLBHIALSA-N 2 1 343.515 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000343808525 164039676 /nfs/dbraw/zinc/03/96/76/164039676.db2.gz BMTRLTUILOQVLA-UZLBHIALSA-N 2 1 343.515 3.131 20 0 EGADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc2ncccc2c1 ZINC000344149780 164114512 /nfs/dbraw/zinc/11/45/12/164114512.db2.gz RRMABUWJTZUEER-UHFFFAOYSA-N 2 1 340.515 3.084 20 0 EGADMP O[C@@]1(CNCc2cccc(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344533152 164187838 /nfs/dbraw/zinc/18/78/38/164187838.db2.gz OCGNZJSVJYRJRA-LJQANCHMSA-N 2 1 330.859 3.067 20 0 EGADMP O[C@@]1(C[NH2+]Cc2cccc(Cl)c2)CCN(Cc2ccccc2)C1 ZINC000344533152 164187839 /nfs/dbraw/zinc/18/78/39/164187839.db2.gz OCGNZJSVJYRJRA-LJQANCHMSA-N 2 1 330.859 3.067 20 0 EGADMP O[C@]1(CNCc2ccc(Cl)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344541585 164188430 /nfs/dbraw/zinc/18/84/30/164188430.db2.gz VMCUHUXZCHTTOZ-IBGZPJMESA-N 2 1 330.859 3.067 20 0 EGADMP O[C@]1(C[NH2+]Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)C1 ZINC000344541585 164188433 /nfs/dbraw/zinc/18/84/33/164188433.db2.gz VMCUHUXZCHTTOZ-IBGZPJMESA-N 2 1 330.859 3.067 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000345806434 164268872 /nfs/dbraw/zinc/26/88/72/164268872.db2.gz YITXHSUJXZFRDF-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)cc1)C1CC1 ZINC000345891875 164288135 /nfs/dbraw/zinc/28/81/35/164288135.db2.gz SUIOCBKLZGNMNK-VQTJNVASSA-N 2 1 341.499 3.028 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1)C1CC1 ZINC000345891875 164288136 /nfs/dbraw/zinc/28/81/36/164288136.db2.gz SUIOCBKLZGNMNK-VQTJNVASSA-N 2 1 341.499 3.028 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1)C1CC1 ZINC000345891875 164288138 /nfs/dbraw/zinc/28/81/38/164288138.db2.gz SUIOCBKLZGNMNK-VQTJNVASSA-N 2 1 341.499 3.028 20 0 EGADMP CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C ZINC000345936666 164299470 /nfs/dbraw/zinc/29/94/70/164299470.db2.gz ZBUWWENBPOPVAU-QZTJIDSGSA-N 2 1 343.515 3.227 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000350287259 165025320 /nfs/dbraw/zinc/02/53/20/165025320.db2.gz PEEHACHLKYXRSW-SFHVURJKSA-N 2 1 343.471 3.274 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000350287259 165025322 /nfs/dbraw/zinc/02/53/22/165025322.db2.gz PEEHACHLKYXRSW-SFHVURJKSA-N 2 1 343.471 3.274 20 0 EGADMP C[N@H+](Cc1ccn(C(F)F)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000350317697 165029774 /nfs/dbraw/zinc/02/97/74/165029774.db2.gz MTVLUPLRGVGDRP-UHFFFAOYSA-N 2 1 335.402 3.022 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C[C@@H]2CCC[NH+]2CC)cc1)C1CC1 ZINC000352336384 165351250 /nfs/dbraw/zinc/35/12/50/165351250.db2.gz RGYMHGNUONUSTQ-FQEVSTJZSA-N 2 1 343.515 3.227 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)cc1)C1CC1 ZINC000352336384 165351254 /nfs/dbraw/zinc/35/12/54/165351254.db2.gz RGYMHGNUONUSTQ-FQEVSTJZSA-N 2 1 343.515 3.227 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2CC)cc1)C1CC1 ZINC000352336384 165351255 /nfs/dbraw/zinc/35/12/55/165351255.db2.gz RGYMHGNUONUSTQ-FQEVSTJZSA-N 2 1 343.515 3.227 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(F)c2cccnc12 ZINC000355218657 166136914 /nfs/dbraw/zinc/13/69/14/166136914.db2.gz XZXYYFQEFKVYNV-MNEFBYGVSA-N 2 1 343.446 3.057 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(F)c2cccnc12 ZINC000355218657 166136915 /nfs/dbraw/zinc/13/69/15/166136915.db2.gz XZXYYFQEFKVYNV-MNEFBYGVSA-N 2 1 343.446 3.057 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2cc(F)ccc2o1 ZINC000355216231 166137158 /nfs/dbraw/zinc/13/71/58/166137158.db2.gz UPGWLHBWLLLSAF-HHXXYDBFSA-N 2 1 332.419 3.255 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2cc(F)ccc2o1 ZINC000355216231 166137160 /nfs/dbraw/zinc/13/71/60/166137160.db2.gz UPGWLHBWLLLSAF-HHXXYDBFSA-N 2 1 332.419 3.255 20 0 EGADMP CC(C)Oc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000355218415 166137915 /nfs/dbraw/zinc/13/79/15/166137915.db2.gz IMNGMDXHDZUJES-CMKODMSKSA-N 2 1 332.488 3.157 20 0 EGADMP CC(C)Oc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000355218415 166137916 /nfs/dbraw/zinc/13/79/16/166137916.db2.gz IMNGMDXHDZUJES-CMKODMSKSA-N 2 1 332.488 3.157 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2cnccc2C)CC1 ZINC000355596800 166256289 /nfs/dbraw/zinc/25/62/89/166256289.db2.gz ITCZJACVTXMEFQ-UHFFFAOYSA-N 2 1 338.499 3.164 20 0 EGADMP CCC[NH+]1CCC(C[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)CC1 ZINC000357022413 166565578 /nfs/dbraw/zinc/56/55/78/166565578.db2.gz GZNFZNHRNGYQIG-LJQANCHMSA-N 2 1 344.478 3.360 20 0 EGADMP [NH3+]CCC[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccccc1 ZINC000359288098 167115773 /nfs/dbraw/zinc/11/57/73/167115773.db2.gz OPJRRDDBJUWFBG-UHFFFAOYSA-N 2 1 347.409 3.144 20 0 EGADMP COC1(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)CCCCC1 ZINC000359744453 167221195 /nfs/dbraw/zinc/22/11/95/167221195.db2.gz BLCPDVMOLGSDJZ-UHFFFAOYSA-N 2 1 332.492 3.001 20 0 EGADMP OCC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000360237847 167279288 /nfs/dbraw/zinc/27/92/88/167279288.db2.gz KRVXGLGREKIQJV-QFIPXVFZSA-N 2 1 338.495 3.407 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCc3nn(C)cc32)cc1F ZINC000366415612 168118839 /nfs/dbraw/zinc/11/88/39/168118839.db2.gz BBLJSLLQTXJAHQ-QGZVFWFLSA-N 2 1 339.418 3.221 20 0 EGADMP C[C@H]1C[N@@H+](Cc2csc3ccccc23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367029286 168170358 /nfs/dbraw/zinc/17/03/58/168170358.db2.gz LMVFKBVVQPEUNG-QFBILLFUSA-N 2 1 343.540 3.359 20 0 EGADMP CC(C)(C)c1ncc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000367040213 168171282 /nfs/dbraw/zinc/17/12/82/168171282.db2.gz GRHKKVMVIWBCNV-SFHVURJKSA-N 2 1 338.499 3.386 20 0 EGADMP CC(C)(C)c1ncc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000367040213 168171283 /nfs/dbraw/zinc/17/12/83/168171283.db2.gz GRHKKVMVIWBCNV-SFHVURJKSA-N 2 1 338.499 3.386 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC000367199399 168192218 /nfs/dbraw/zinc/19/22/18/168192218.db2.gz JQKUQYIHQKSEBU-UHFFFAOYSA-N 2 1 329.488 3.050 20 0 EGADMP CCN(CC)c1ncc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000367690624 168259966 /nfs/dbraw/zinc/25/99/66/168259966.db2.gz USJIGEXHPYGNTB-MRXNPFEDSA-N 2 1 336.549 3.153 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000236709396 266212385 /nfs/dbraw/zinc/21/23/85/266212385.db2.gz QBGDDTVMPHQNTG-MOPGFXCFSA-N 2 1 337.552 3.255 20 0 EGADMP C[C@H]1C[C@H](N(C)C(=O)C2(C[NH3+])CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000237560123 266238741 /nfs/dbraw/zinc/23/87/41/266238741.db2.gz OOCSOBCLZPINEQ-PKOBYXMFSA-N 2 1 343.515 3.017 20 0 EGADMP c1cc2nsnc2c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000269667270 266338086 /nfs/dbraw/zinc/33/80/86/266338086.db2.gz QLOANOUDYKEHQG-DYVFJYSZSA-N 2 1 328.485 3.140 20 0 EGADMP c1cc2nsnc2c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000269667270 266338089 /nfs/dbraw/zinc/33/80/89/266338089.db2.gz QLOANOUDYKEHQG-DYVFJYSZSA-N 2 1 328.485 3.140 20 0 EGADMP c1cc2nsnc2c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000269667270 266338093 /nfs/dbraw/zinc/33/80/93/266338093.db2.gz QLOANOUDYKEHQG-DYVFJYSZSA-N 2 1 328.485 3.140 20 0 EGADMP c1cc2nsnc2c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000269667270 266338095 /nfs/dbraw/zinc/33/80/95/266338095.db2.gz QLOANOUDYKEHQG-DYVFJYSZSA-N 2 1 328.485 3.140 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000274900637 267304876 /nfs/dbraw/zinc/30/48/76/267304876.db2.gz LDSWFPSGEAUCBA-QLFBSQMISA-N 2 1 325.884 3.275 20 0 EGADMP C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274965982 267312837 /nfs/dbraw/zinc/31/28/37/267312837.db2.gz XGRDQEYUWIZGAP-CEXJFXJFSA-N 2 1 336.545 3.034 20 0 EGADMP C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274965982 267312838 /nfs/dbraw/zinc/31/28/38/267312838.db2.gz XGRDQEYUWIZGAP-CEXJFXJFSA-N 2 1 336.545 3.034 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278489792 268024929 /nfs/dbraw/zinc/02/49/29/268024929.db2.gz KXXYZQFMGVCEIB-ROUUACIJSA-N 2 1 334.504 3.107 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278489792 268024932 /nfs/dbraw/zinc/02/49/32/268024932.db2.gz KXXYZQFMGVCEIB-ROUUACIJSA-N 2 1 334.504 3.107 20 0 EGADMP COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000355225006 274147006 /nfs/dbraw/zinc/14/70/06/274147006.db2.gz RDNIBDMQLDTFAQ-MJGOQNOKSA-N 2 1 339.483 3.133 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC000044533215 275131729 /nfs/dbraw/zinc/13/17/29/275131729.db2.gz RWSBXSFRIVIDNA-STQMWFEESA-N 2 1 341.293 3.450 20 0 EGADMP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000092587883 275154601 /nfs/dbraw/zinc/15/46/01/275154601.db2.gz YLWASHDCIJFRHB-GOSISDBHSA-N 2 1 346.563 3.489 20 0 EGADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000092587883 275154602 /nfs/dbraw/zinc/15/46/02/275154602.db2.gz YLWASHDCIJFRHB-GOSISDBHSA-N 2 1 346.563 3.489 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271901592 275239917 /nfs/dbraw/zinc/23/99/17/275239917.db2.gz VQEZWTITNWDNCZ-INIZCTEOSA-N 2 1 329.488 3.379 20 0 EGADMP COC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[C@H]1CCCO1 ZINC000278647391 275262098 /nfs/dbraw/zinc/26/20/98/275262098.db2.gz DSAQZHPJVNQMND-ZOCIIQOWSA-N 2 1 329.444 3.025 20 0 EGADMP CCn1nc(C)c(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000279695966 275350612 /nfs/dbraw/zinc/35/06/12/275350612.db2.gz QKOKABLPUJTRIH-BGYRXZFFSA-N 2 1 338.499 3.084 20 0 EGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000279789808 275359630 /nfs/dbraw/zinc/35/96/30/275359630.db2.gz UXAXFFRRCWUGNT-RMJJICAUSA-N 2 1 334.504 3.242 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000280046720 275396715 /nfs/dbraw/zinc/39/67/15/275396715.db2.gz XGFWAEJHNQKOGZ-PMPSAXMXSA-N 2 1 343.471 3.245 20 0 EGADMP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000281504904 275554349 /nfs/dbraw/zinc/55/43/49/275554349.db2.gz GZCNULPFGNQAIV-ROUUACIJSA-N 2 1 331.504 3.117 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)C[NH+]1CCCCCC1)c1ccccc1 ZINC000359314884 276078046 /nfs/dbraw/zinc/07/80/46/276078046.db2.gz DFZQBHHTXWTXPF-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)C[NH+]1CCCCCC1)c1ccccc1 ZINC000359314884 276078048 /nfs/dbraw/zinc/07/80/48/276078048.db2.gz DFZQBHHTXWTXPF-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP COc1ccncc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000287674871 276146100 /nfs/dbraw/zinc/14/61/00/276146100.db2.gz HVSHSCPXNUGEQO-UHFFFAOYSA-N 2 1 340.471 3.224 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000358455259 276195118 /nfs/dbraw/zinc/19/51/18/276195118.db2.gz YCKZSQDAEMDJHF-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1cn(C)nc1-c1ccncc1 ZINC000289415893 276335612 /nfs/dbraw/zinc/33/56/12/276335612.db2.gz ILRBFQQDGLMSPU-UHFFFAOYSA-N 2 1 329.492 3.036 20 0 EGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cn(C)nc1-c1ccncc1 ZINC000289415893 276335615 /nfs/dbraw/zinc/33/56/15/276335615.db2.gz ILRBFQQDGLMSPU-UHFFFAOYSA-N 2 1 329.492 3.036 20 0 EGADMP CCOC(=O)CCCCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289457750 276342036 /nfs/dbraw/zinc/34/20/36/276342036.db2.gz VOICNEIQEFMNFM-UHFFFAOYSA-N 2 1 334.460 3.357 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000289556703 276357667 /nfs/dbraw/zinc/35/76/67/276357667.db2.gz YEKCNEPDYISELY-SFTDATJTSA-N 2 1 329.532 3.066 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000289742736 276386713 /nfs/dbraw/zinc/38/67/13/276386713.db2.gz MEAXQSXQJMVRMN-NEPJUHHUSA-N 2 1 337.265 3.336 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)nc2)C1 ZINC000289757941 276389317 /nfs/dbraw/zinc/38/93/17/276389317.db2.gz MWUZQDRFBMXOMF-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)nc2)C1 ZINC000289757941 276389318 /nfs/dbraw/zinc/38/93/18/276389318.db2.gz MWUZQDRFBMXOMF-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC000353933570 277326210 /nfs/dbraw/zinc/32/62/10/277326210.db2.gz QACOABUBHTUKMU-NEWSRXKRSA-N 2 1 332.488 3.076 20 0 EGADMP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352511040 278339455 /nfs/dbraw/zinc/33/94/55/278339455.db2.gz QCMXOEVWJFEKOG-SFHVURJKSA-N 2 1 349.494 3.156 20 0 EGADMP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352511040 278339457 /nfs/dbraw/zinc/33/94/57/278339457.db2.gz QCMXOEVWJFEKOG-SFHVURJKSA-N 2 1 349.494 3.156 20 0 EGADMP C[C@H]1CCC[C@@](C[NH2+]C2CCN(CC(F)(F)F)CC2)([NH+](C)C)C1 ZINC000237529252 278349227 /nfs/dbraw/zinc/34/92/27/278349227.db2.gz UVMNUIBZLJPXAV-GOEBONIOSA-N 2 1 335.458 3.113 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000269175734 279136421 /nfs/dbraw/zinc/13/64/21/279136421.db2.gz ILIUHMIGFBHVSE-PMACEKPBSA-N 2 1 343.515 3.085 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000356301451 279153573 /nfs/dbraw/zinc/15/35/73/279153573.db2.gz QGJUPEJLBWFCFB-FPOVZHCZSA-N 2 1 343.515 3.014 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000338004573 279235406 /nfs/dbraw/zinc/23/54/06/279235406.db2.gz VGSGREFDPANADI-KRWDZBQOSA-N 2 1 343.515 3.133 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000338004573 279235408 /nfs/dbraw/zinc/23/54/08/279235408.db2.gz VGSGREFDPANADI-KRWDZBQOSA-N 2 1 343.515 3.133 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000338004573 279235410 /nfs/dbraw/zinc/23/54/10/279235410.db2.gz VGSGREFDPANADI-KRWDZBQOSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000378429894 280333135 /nfs/dbraw/zinc/33/31/35/280333135.db2.gz LPUIAFHVAFOJNZ-RKVPGOIHSA-N 2 1 329.444 3.447 20 0 EGADMP CC[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[NH+](CC)CC ZINC000344211439 280679408 /nfs/dbraw/zinc/67/94/08/280679408.db2.gz BKIJSMCCBARTEE-IAGOWNOFSA-N 2 1 339.911 3.179 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000356846865 290387498 /nfs/dbraw/zinc/38/74/98/290387498.db2.gz JESSLOQILLJQRN-HNNXBMFYSA-N 2 1 335.458 3.257 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356846865 290387499 /nfs/dbraw/zinc/38/74/99/290387499.db2.gz JESSLOQILLJQRN-HNNXBMFYSA-N 2 1 335.458 3.257 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356846865 290387500 /nfs/dbraw/zinc/38/75/00/290387500.db2.gz JESSLOQILLJQRN-HNNXBMFYSA-N 2 1 335.458 3.257 20 0 EGADMP COc1cc(OC)c(OC)cc1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352545884 295006987 /nfs/dbraw/zinc/00/69/87/295006987.db2.gz MUGLIOHRJINSKE-UHFFFAOYSA-N 2 1 336.476 3.053 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000074319738 307392547 /nfs/dbraw/zinc/39/25/47/307392547.db2.gz ZWYZOVGMMAHOTH-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000081256210 307438421 /nfs/dbraw/zinc/43/84/21/307438421.db2.gz NEIRRZJLQMSGHI-KRWDZBQOSA-N 2 1 334.508 3.023 20 0 EGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000090525430 307459930 /nfs/dbraw/zinc/45/99/30/307459930.db2.gz PGUHGWCJLSEQCK-VDGAXYAQSA-N 2 1 346.515 3.422 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000414046742 309057637 /nfs/dbraw/zinc/05/76/37/309057637.db2.gz AYPSAFKKQVRZJI-KRWDZBQOSA-N 2 1 339.483 3.275 20 0 EGADMP COC(=O)c1cnc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)s1 ZINC000414073332 309059330 /nfs/dbraw/zinc/05/93/30/309059330.db2.gz NGGWJVOUSXFFIG-KBPBESRZSA-N 2 1 339.505 3.092 20 0 EGADMP COC(=O)c1cnc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)s1 ZINC000414073332 309059331 /nfs/dbraw/zinc/05/93/31/309059331.db2.gz NGGWJVOUSXFFIG-KBPBESRZSA-N 2 1 339.505 3.092 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ncc(Br)s1 ZINC000414179052 309065194 /nfs/dbraw/zinc/06/51/94/309065194.db2.gz KZWPQZWCMNTBOZ-QWRGUYRKSA-N 2 1 332.311 3.288 20 0 EGADMP COC1([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000414308465 309072056 /nfs/dbraw/zinc/07/20/56/309072056.db2.gz QHTIIYICFRUHGV-IJXRJRJASA-N 2 1 328.500 3.444 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccnc2)[C@H](C)C1 ZINC000414329815 309073367 /nfs/dbraw/zinc/07/33/67/309073367.db2.gz IQQUMUIXUPYRPV-IEBWSBKVSA-N 2 1 333.520 3.086 20 0 EGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CCN4CCCCC4)C3)CC2)cc1 ZINC000293322492 308120168 /nfs/dbraw/zinc/12/01/68/308120168.db2.gz MDFGZWKGXZYUHH-UHFFFAOYSA-N 2 1 341.543 3.460 20 0 EGADMP c1ccc(C[NH+]2CCC3(CCN(CC[NH+]4CCCCC4)C3)CC2)cc1 ZINC000293322492 308120169 /nfs/dbraw/zinc/12/01/69/308120169.db2.gz MDFGZWKGXZYUHH-UHFFFAOYSA-N 2 1 341.543 3.460 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)c(OC)c2Cl)[C@H](C)C1 ZINC000293858161 308168248 /nfs/dbraw/zinc/16/82/48/308168248.db2.gz YUPMKKWNPGVJOY-UKRRQHHQSA-N 2 1 340.895 3.220 20 0 EGADMP COCC1CCC([NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000414515167 309085818 /nfs/dbraw/zinc/08/58/18/309085818.db2.gz TYRVIPBXTFAZKP-UHFFFAOYSA-N 2 1 337.533 3.204 20 0 EGADMP COCC1CCC([NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000414515167 309085819 /nfs/dbraw/zinc/08/58/19/309085819.db2.gz TYRVIPBXTFAZKP-UHFFFAOYSA-N 2 1 337.533 3.204 20 0 EGADMP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414697861 309096020 /nfs/dbraw/zinc/09/60/20/309096020.db2.gz CLCYVDCEMQZJNK-TYPHKJRUSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414697861 309096021 /nfs/dbraw/zinc/09/60/21/309096021.db2.gz CLCYVDCEMQZJNK-TYPHKJRUSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414697861 309096022 /nfs/dbraw/zinc/09/60/22/309096022.db2.gz CLCYVDCEMQZJNK-TYPHKJRUSA-N 3 1 329.532 3.219 20 0 EGADMP CC[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414697861 309096023 /nfs/dbraw/zinc/09/60/23/309096023.db2.gz CLCYVDCEMQZJNK-TYPHKJRUSA-N 2 1 329.532 3.219 20 0 EGADMP CC[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414697861 309096024 /nfs/dbraw/zinc/09/60/24/309096024.db2.gz CLCYVDCEMQZJNK-TYPHKJRUSA-N 2 1 329.532 3.219 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414664323 309094421 /nfs/dbraw/zinc/09/44/21/309094421.db2.gz CDIPUQMVJXSTDJ-INIZCTEOSA-N 2 1 339.487 3.102 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414664323 309094422 /nfs/dbraw/zinc/09/44/22/309094422.db2.gz CDIPUQMVJXSTDJ-INIZCTEOSA-N 2 1 339.487 3.102 20 0 EGADMP COc1ccc(Br)cc1C[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414675227 309095028 /nfs/dbraw/zinc/09/50/28/309095028.db2.gz FLRTXSSQNCDYRM-CHWSQXEVSA-N 2 1 341.293 3.278 20 0 EGADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414771659 309099972 /nfs/dbraw/zinc/09/99/72/309099972.db2.gz AFAVZNUCKBBYKV-HZPDHXFCSA-N 2 1 328.435 3.037 20 0 EGADMP Cc1cc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cn2cc[nH+]c12 ZINC000297007755 308489245 /nfs/dbraw/zinc/48/92/45/308489245.db2.gz PPCFXEMPBYZPLE-UHFFFAOYSA-N 2 1 329.448 3.027 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC000414738090 309098240 /nfs/dbraw/zinc/09/82/40/309098240.db2.gz OGISERHNRRNHCU-WLRLJWMZSA-N 3 1 329.532 3.047 20 0 EGADMP FC(F)(F)Oc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414772079 309099895 /nfs/dbraw/zinc/09/98/95/309099895.db2.gz BGADOOIEZQWQOG-HUUCEWRRSA-N 2 1 328.378 3.407 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414788945 309101396 /nfs/dbraw/zinc/10/13/96/309101396.db2.gz XNGQDJROQQWDRW-RTBURBONSA-N 2 1 338.499 3.311 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1OCc1cccs1 ZINC000414881208 309107069 /nfs/dbraw/zinc/10/70/69/309107069.db2.gz ACIGVKVYMXWLCT-MRXNPFEDSA-N 2 1 332.469 3.163 20 0 EGADMP [NH3+][C@@H](C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000414894873 309107965 /nfs/dbraw/zinc/10/79/65/309107965.db2.gz UUUITNKPKMEBKE-LBPRGKRZSA-N 2 1 337.183 3.295 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC[NH2+]1 ZINC000414948247 309110729 /nfs/dbraw/zinc/11/07/29/309110729.db2.gz LXUKJHKZRYOBAL-LPHOPBHVSA-N 2 1 338.499 3.455 20 0 EGADMP CSc1cc(Br)ccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415065426 309117957 /nfs/dbraw/zinc/11/79/57/309117957.db2.gz GHHYFXNIMXDYOI-UHFFFAOYSA-N 2 1 329.307 3.403 20 0 EGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000415109057 309120863 /nfs/dbraw/zinc/12/08/63/309120863.db2.gz NICUYWFEJOSIGD-SJORKVTESA-N 2 1 326.843 3.197 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1OC ZINC000415121666 309121699 /nfs/dbraw/zinc/12/16/99/309121699.db2.gz ZDKYVGADOMUMNV-ROUUACIJSA-N 2 1 326.440 3.287 20 0 EGADMP C[NH2+]CCC[N@H+](C)Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000415124330 309122070 /nfs/dbraw/zinc/12/20/70/309122070.db2.gz BZLWOROXDWMARM-UHFFFAOYSA-N 2 1 344.503 3.355 20 0 EGADMP C[NH2+]CCC[N@@H+](C)Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000415124330 309122071 /nfs/dbraw/zinc/12/20/71/309122071.db2.gz BZLWOROXDWMARM-UHFFFAOYSA-N 2 1 344.503 3.355 20 0 EGADMP CCC[C@H](C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000415133442 309122915 /nfs/dbraw/zinc/12/29/15/309122915.db2.gz CHEVCIFBBNVANB-AQNXPRMDSA-N 2 1 328.500 3.271 20 0 EGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000415139468 309123398 /nfs/dbraw/zinc/12/33/98/309123398.db2.gz ZSQVMEGMUXQTCX-IRXDYDNUSA-N 2 1 326.843 3.197 20 0 EGADMP C[C@H](C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1cccc(Cl)c1 ZINC000415145337 309123633 /nfs/dbraw/zinc/12/36/33/309123633.db2.gz WWGUFLCSVAUNLY-OLMNPRSZSA-N 2 1 334.891 3.144 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415970638 309152028 /nfs/dbraw/zinc/15/20/28/309152028.db2.gz FMBWEHIQMFYQPM-WMZOPIPTSA-N 2 1 344.503 3.264 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000415972576 309152226 /nfs/dbraw/zinc/15/22/26/309152226.db2.gz NBJGLSIJRMCNIK-IYBDPMFKSA-N 2 1 346.519 3.284 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415988493 309153305 /nfs/dbraw/zinc/15/33/05/309153305.db2.gz CXCGVRSBQCKLDG-GOSISDBHSA-N 2 1 330.476 3.066 20 0 EGADMP Clc1ccc([C@@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1Cl ZINC000420294203 309279764 /nfs/dbraw/zinc/27/97/64/309279764.db2.gz AWPGDMFMQBPPJO-WBMJQRKESA-N 2 1 329.271 3.366 20 0 EGADMP Clc1ccc([C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1Cl ZINC000420294203 309279765 /nfs/dbraw/zinc/27/97/65/309279765.db2.gz AWPGDMFMQBPPJO-WBMJQRKESA-N 2 1 329.271 3.366 20 0 EGADMP COc1cc(C[N@@H+](CC[C@H]2CC[NH2+]C2)C2CC2)ccc1OC(F)F ZINC000420301771 309280493 /nfs/dbraw/zinc/28/04/93/309280493.db2.gz JCNPPJFSXKOCKE-CYBMUJFWSA-N 2 1 340.414 3.261 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccn(-c4ccc(Cl)cc4)n3)C[C@@H]21 ZINC000420307419 309280623 /nfs/dbraw/zinc/28/06/23/309280623.db2.gz MGEDWVYIDKUZGN-JEBQAFNWSA-N 2 1 330.863 3.085 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccn(-c4ccc(Cl)cc4)n3)C[C@@H]21 ZINC000420307419 309280624 /nfs/dbraw/zinc/28/06/24/309280624.db2.gz MGEDWVYIDKUZGN-JEBQAFNWSA-N 2 1 330.863 3.085 20 0 EGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000420319946 309281831 /nfs/dbraw/zinc/28/18/31/309281831.db2.gz PQMIQLHXZSIOJT-YMRXKLBXSA-N 2 1 343.298 3.273 20 0 EGADMP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420326642 309282451 /nfs/dbraw/zinc/28/24/51/309282451.db2.gz COFNFDIAYCZTDM-BGYRXZFFSA-N 2 1 349.478 3.370 20 0 EGADMP Cc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000420327961 309282495 /nfs/dbraw/zinc/28/24/95/309282495.db2.gz LXILKVUNLGVQQM-QZTJIDSGSA-N 2 1 325.456 3.472 20 0 EGADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cccc2ccccc21 ZINC000420333103 309282925 /nfs/dbraw/zinc/28/29/25/309282925.db2.gz JXDBSQKEEAJSTR-HDICACEKSA-N 2 1 337.467 3.100 20 0 EGADMP CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420337797 309283118 /nfs/dbraw/zinc/28/31/18/309283118.db2.gz KDIJHTNACDBNSR-GDBMZVCRSA-N 2 1 347.528 3.200 20 0 EGADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420343819 309283413 /nfs/dbraw/zinc/28/34/13/309283413.db2.gz RMRGNCSBPVUBKU-HYVNUMGLSA-N 2 1 326.444 3.119 20 0 EGADMP Fc1ccc2c(c1)CC[N@H+](Cc1cccc(CN3CCOCC3)c1)C2 ZINC000420933766 309302180 /nfs/dbraw/zinc/30/21/80/309302180.db2.gz IHQBMTRVVBRYSI-UHFFFAOYSA-N 2 1 340.442 3.216 20 0 EGADMP Fc1ccc2c(c1)CCN(Cc1cccc(CN3CCOCC3)c1)C2 ZINC000420933766 309302181 /nfs/dbraw/zinc/30/21/81/309302181.db2.gz IHQBMTRVVBRYSI-UHFFFAOYSA-N 2 1 340.442 3.216 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCc3cccc(F)c3)CC2)CC1 ZINC000420974023 309305301 /nfs/dbraw/zinc/30/53/01/309305301.db2.gz DCDIOMHTHXTAHW-UHFFFAOYSA-N 2 1 347.522 3.250 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H]3C[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000420973728 309305440 /nfs/dbraw/zinc/30/54/40/309305440.db2.gz CRONTJCOWFXGQP-LEWJYISDSA-N 2 1 345.506 3.174 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000421381487 309321852 /nfs/dbraw/zinc/32/18/52/309321852.db2.gz WTUYEDFWDFGDSR-IFMALSPDSA-N 2 1 341.543 3.282 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@@H]1C[NH3+] ZINC000422563644 309361845 /nfs/dbraw/zinc/36/18/45/309361845.db2.gz UAQXMHQLQLPTAP-HLIPFELVSA-N 2 1 339.483 3.466 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@H]1C[NH3+] ZINC000422635655 309363073 /nfs/dbraw/zinc/36/30/73/309363073.db2.gz LUPCROPSJJCFTP-YRGRVCCFSA-N 2 1 335.398 3.425 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@H]1C[NH3+] ZINC000422635655 309363074 /nfs/dbraw/zinc/36/30/74/309363074.db2.gz LUPCROPSJJCFTP-YRGRVCCFSA-N 2 1 335.398 3.425 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422712539 309364491 /nfs/dbraw/zinc/36/44/91/309364491.db2.gz IMIVFLDQIRYWLA-RTWAWAEBSA-N 3 1 339.483 3.252 20 0 EGADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)C[C@@H]2CCCCC[NH2+]2)[C@H](C)C1 ZINC000422746374 309366168 /nfs/dbraw/zinc/36/61/68/309366168.db2.gz NTSRSXDQFNSSIK-ZRNYENFQSA-N 2 1 339.568 3.024 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)[C@H](C)C1 ZINC000422746374 309366169 /nfs/dbraw/zinc/36/61/69/309366169.db2.gz NTSRSXDQFNSSIK-ZRNYENFQSA-N 3 1 339.568 3.024 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)[C@H](C)C1 ZINC000422746374 309366170 /nfs/dbraw/zinc/36/61/70/309366170.db2.gz NTSRSXDQFNSSIK-ZRNYENFQSA-N 3 1 339.568 3.024 20 0 EGADMP COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422761350 309367043 /nfs/dbraw/zinc/36/70/43/309367043.db2.gz HNQFQALFCBTRDL-GVDBMIGSSA-N 2 1 348.487 3.113 20 0 EGADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)[nH+]1 ZINC000422770056 309367496 /nfs/dbraw/zinc/36/74/96/309367496.db2.gz WHHWGLPPKNFRKT-VAMGGRTRSA-N 3 1 342.531 3.259 20 0 EGADMP CC[C@@H](C(=O)N1CC[NH2+]Cc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000422798531 309369047 /nfs/dbraw/zinc/36/90/47/309369047.db2.gz RNHUGRZBWKEGQL-IBGZPJMESA-N 2 1 337.467 3.033 20 0 EGADMP CC[C@@H](C(=O)N1CC[NH2+]Cc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000422798531 309369048 /nfs/dbraw/zinc/36/90/48/309369048.db2.gz RNHUGRZBWKEGQL-IBGZPJMESA-N 2 1 337.467 3.033 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](CCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000422805184 309369500 /nfs/dbraw/zinc/36/95/00/309369500.db2.gz IREVOFCQRPNANA-BHDDXSALSA-N 2 1 341.543 3.335 20 0 EGADMP c1ccc2c(c1)CC[N@H+](CCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000422805184 309369501 /nfs/dbraw/zinc/36/95/01/309369501.db2.gz IREVOFCQRPNANA-BHDDXSALSA-N 2 1 341.543 3.335 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(COCC(F)(F)F)cc1)c1c[nH+]ccc1N ZINC000422825502 309370460 /nfs/dbraw/zinc/37/04/60/309370460.db2.gz PUTSGSOZNPVJKN-LBPRGKRZSA-N 2 1 339.361 3.424 20 0 EGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)CC1 ZINC000422841879 309371269 /nfs/dbraw/zinc/37/12/69/309371269.db2.gz XARKDQAGEKJLNL-GHTZIAJQSA-N 2 1 331.548 3.293 20 0 EGADMP FC(F)(F)CN1CCC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422854554 309372291 /nfs/dbraw/zinc/37/22/91/309372291.db2.gz BBYQBYFDAUGPJU-IAGOWNOFSA-N 2 1 341.421 3.096 20 0 EGADMP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422880952 309373641 /nfs/dbraw/zinc/37/36/41/309373641.db2.gz XZPYUAVOOGZPLS-ARFHVFGLSA-N 2 1 340.414 3.307 20 0 EGADMP C[C@H](C[C@H]1COCC[NH2+]1)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422917031 309376115 /nfs/dbraw/zinc/37/61/15/309376115.db2.gz FHTOMIIYDGBDQG-HLIPFELVSA-N 2 1 331.504 3.240 20 0 EGADMP C[NH+](C)[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423047239 309382900 /nfs/dbraw/zinc/38/29/00/309382900.db2.gz GVRRHCFHUJLZKW-USXIJHARSA-N 2 1 343.437 3.415 20 0 EGADMP C[C@](CO)(C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000423068071 309384114 /nfs/dbraw/zinc/38/41/14/309384114.db2.gz ATRVAOCMIOHCEZ-BHIFYINESA-N 2 1 338.495 3.311 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000423066882 309384120 /nfs/dbraw/zinc/38/41/20/309384120.db2.gz FQLARQCVSANEQV-NJZAAPMLSA-N 2 1 328.287 3.302 20 0 EGADMP CC[C@H]([NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@@H]1CCC[NH2+]1 ZINC000423077936 309384824 /nfs/dbraw/zinc/38/48/24/309384824.db2.gz UTTUREALHJHBOP-MUGJNUQGSA-N 2 1 334.479 3.020 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000423092482 309385529 /nfs/dbraw/zinc/38/55/29/309385529.db2.gz CAMMFNMDHJCBNK-DZFGPLHGSA-N 2 1 329.532 3.332 20 0 EGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423109181 309386383 /nfs/dbraw/zinc/38/63/83/309386383.db2.gz UHPNFNYTBFTSMR-ZFWWWQNUSA-N 2 1 345.409 3.423 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000423113833 309386655 /nfs/dbraw/zinc/38/66/55/309386655.db2.gz ZHRKNIQJBXQCJZ-IFXJQAMLSA-N 2 1 346.906 3.456 20 0 EGADMP CC(C)Oc1ccc([C@@H](C[NH2+][C@H](C)c2c[nH+]ccc2N)N(C)C)cc1 ZINC000423124522 309387055 /nfs/dbraw/zinc/38/70/55/309387055.db2.gz MQQBPQFIZYERCV-FOIQADDNSA-N 2 1 342.487 3.235 20 0 EGADMP c1c2ccccc2sc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423138278 309387943 /nfs/dbraw/zinc/38/79/43/309387943.db2.gz SPYPCVIMTDAEKS-KZNAEPCWSA-N 2 1 330.497 3.191 20 0 EGADMP Cc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CC2)c(C)c1 ZINC000423146956 309388397 /nfs/dbraw/zinc/38/83/97/309388397.db2.gz QTDADNUCLMNEOT-MISYRCLQSA-N 2 1 328.500 3.082 20 0 EGADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423217568 309390780 /nfs/dbraw/zinc/39/07/80/309390780.db2.gz QHOFLGNIWWIRFT-GUSVMJMASA-N 3 1 329.532 3.407 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c(C)c1OC ZINC000423258798 309392871 /nfs/dbraw/zinc/39/28/71/309392871.db2.gz CKVXNGCBLYQFPI-KDOFPFPSSA-N 2 1 334.504 3.440 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])nnn1-c1ccc(C)cc1 ZINC000423263887 309392951 /nfs/dbraw/zinc/39/29/51/309392951.db2.gz BILMIWTVIOYAQO-YXJHDRRASA-N 2 1 327.476 3.052 20 0 EGADMP C[C@@H](N[C@H](C[NH3+])C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423272181 309393304 /nfs/dbraw/zinc/39/33/04/309393304.db2.gz YWXIAZWEYBDXFR-OXQOHEQNSA-N 2 1 333.520 3.185 20 0 EGADMP COc1ccc(C[C@H]([NH2+]CC(C)(C)[NH3+])c2ccc(OC)cc2)cc1 ZINC000423290132 309394172 /nfs/dbraw/zinc/39/41/72/309394172.db2.gz ZCPNBKWEJRIXJU-IBGZPJMESA-N 2 1 328.456 3.315 20 0 EGADMP [NH3+][C@H](CN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000423330162 309395644 /nfs/dbraw/zinc/39/56/44/309395644.db2.gz TYWYXRARCLBHQJ-PLACYPQZSA-N 2 1 327.516 3.004 20 0 EGADMP [NH3+]C1(CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000423340553 309396135 /nfs/dbraw/zinc/39/61/35/309396135.db2.gz XJTBBXAPYHNMQN-XUVXKRRUSA-N 2 1 327.516 3.148 20 0 EGADMP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H](C)[NH3+] ZINC000423389206 309398182 /nfs/dbraw/zinc/39/81/82/309398182.db2.gz LGXCANLAHCERBQ-CUDHKJQZSA-N 2 1 345.531 3.117 20 0 EGADMP Fc1cc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)ccc1Cl ZINC000424284174 309436311 /nfs/dbraw/zinc/43/63/11/309436311.db2.gz CYBSRTDAHLZIKA-UHFFFAOYSA-N 2 1 334.826 3.116 20 0 EGADMP CCn1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c1=O ZINC000433098302 309678729 /nfs/dbraw/zinc/67/87/29/309678729.db2.gz TWWJDEAZIKWUSI-QFBILLFUSA-N 2 1 331.504 3.001 20 0 EGADMP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000438212099 309809223 /nfs/dbraw/zinc/80/92/23/309809223.db2.gz RQBIZKXQVZKMAT-GJZGRUSLSA-N 2 1 334.426 3.342 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449072860 310034677 /nfs/dbraw/zinc/03/46/77/310034677.db2.gz LVSYDASXLWQZJY-UHFFFAOYSA-N 2 1 332.488 3.448 20 0 EGADMP CCn1nnc(C)c1C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000449131363 310039288 /nfs/dbraw/zinc/03/92/88/310039288.db2.gz MBUPYNPWUIRUAX-UHFFFAOYSA-N 2 1 341.503 3.128 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449162592 310041433 /nfs/dbraw/zinc/04/14/33/310041433.db2.gz JQJUQRGNQMUXAD-UHFFFAOYSA-N 2 1 341.434 3.301 20 0 EGADMP CC1(C)CC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC(C)(C)[NH2+]1 ZINC000449187913 310043263 /nfs/dbraw/zinc/04/32/63/310043263.db2.gz JRZBMLGFTPODNG-KRWDZBQOSA-N 2 1 335.536 3.209 20 0 EGADMP CC(C)COc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000449194623 310043665 /nfs/dbraw/zinc/04/36/65/310043665.db2.gz UXNVQVFZIIJYDG-WOJBJXKFSA-N 2 1 346.515 3.189 20 0 EGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCC12CCC2 ZINC000449233764 310046616 /nfs/dbraw/zinc/04/66/16/310046616.db2.gz MXXDITHDOPKDCN-UXHICEINSA-N 2 1 328.500 3.456 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc4c(c3)OCCCCO4)C2)CC1 ZINC000449325832 310053465 /nfs/dbraw/zinc/05/34/65/310053465.db2.gz PXCQHXMWMCNCCJ-LJQANCHMSA-N 2 1 344.499 3.402 20 0 EGADMP OC[C@H]([C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1)C1CC1 ZINC000449510263 310067960 /nfs/dbraw/zinc/06/79/60/310067960.db2.gz PYENACQFNCGREB-LEWJYISDSA-N 2 1 328.500 3.038 20 0 EGADMP O[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000449588512 310074112 /nfs/dbraw/zinc/07/41/12/310074112.db2.gz KYQDZHFEGQRDFH-ALGQRKQJSA-N 2 1 328.500 3.038 20 0 EGADMP COc1cc(F)cc(C[C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000449784882 310087329 /nfs/dbraw/zinc/08/73/29/310087329.db2.gz ZABLRGZRTDLJKI-LBPRGKRZSA-N 2 1 337.464 3.073 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000450190671 310107932 /nfs/dbraw/zinc/10/79/32/310107932.db2.gz VIVVSMUOKNLLDE-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000450190671 310107933 /nfs/dbraw/zinc/10/79/33/310107933.db2.gz VIVVSMUOKNLLDE-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[N@@H+](CC/C=C/c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000450651819 310135263 /nfs/dbraw/zinc/13/52/63/310135263.db2.gz LZCWYOQVJDWWLU-IUYMFKLXSA-N 2 1 327.516 3.190 20 0 EGADMP c1nc(CC[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000451044968 310157395 /nfs/dbraw/zinc/15/73/95/310157395.db2.gz CHUDNQDZZRLMAA-QZTJIDSGSA-N 2 1 327.497 3.140 20 0 EGADMP c1nc(CC[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000451044968 310157396 /nfs/dbraw/zinc/15/73/96/310157396.db2.gz CHUDNQDZZRLMAA-QZTJIDSGSA-N 2 1 327.497 3.140 20 0 EGADMP c1nc(CC[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000451044968 310157397 /nfs/dbraw/zinc/15/73/97/310157397.db2.gz CHUDNQDZZRLMAA-QZTJIDSGSA-N 2 1 327.497 3.140 20 0 EGADMP c1nc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000451044966 310157469 /nfs/dbraw/zinc/15/74/69/310157469.db2.gz CHUDNQDZZRLMAA-MSOLQXFVSA-N 2 1 327.497 3.140 20 0 EGADMP c1nc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000451044966 310157470 /nfs/dbraw/zinc/15/74/70/310157470.db2.gz CHUDNQDZZRLMAA-MSOLQXFVSA-N 2 1 327.497 3.140 20 0 EGADMP c1nc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000451044966 310157471 /nfs/dbraw/zinc/15/74/71/310157471.db2.gz CHUDNQDZZRLMAA-MSOLQXFVSA-N 2 1 327.497 3.140 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)CC1 ZINC000451411075 310176698 /nfs/dbraw/zinc/17/66/98/310176698.db2.gz UMUXVAMKDRUOLZ-CVEARBPZSA-N 2 1 335.458 3.065 20 0 EGADMP CCO[C@@H]1CC[N@@H+](C/C=C/C[NH+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000451522008 310182604 /nfs/dbraw/zinc/18/26/04/310182604.db2.gz ALLZICXHAXKQMF-UHAVEOKRSA-N 2 1 338.536 3.036 20 0 EGADMP CCO[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000451522008 310182605 /nfs/dbraw/zinc/18/26/05/310182605.db2.gz ALLZICXHAXKQMF-UHAVEOKRSA-N 2 1 338.536 3.036 20 0 EGADMP CCO[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000451522008 310182606 /nfs/dbraw/zinc/18/26/06/310182606.db2.gz ALLZICXHAXKQMF-UHAVEOKRSA-N 2 1 338.536 3.036 20 0 EGADMP O[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453173280 310262282 /nfs/dbraw/zinc/26/22/82/310262282.db2.gz OEAAPYFYJGSRCL-FCMAGTKHSA-N 2 1 328.500 3.323 20 0 EGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453200045 310263756 /nfs/dbraw/zinc/26/37/56/310263756.db2.gz UMLVSXFXZHISQE-RTWAWAEBSA-N 2 1 328.500 3.312 20 0 EGADMP CC(C)(CO)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453274015 310268523 /nfs/dbraw/zinc/26/85/23/310268523.db2.gz JYVNLYFKTISIEN-XUVXKRRUSA-N 2 1 330.516 3.428 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)[C@H](C)C1 ZINC000453310623 310270359 /nfs/dbraw/zinc/27/03/59/310270359.db2.gz FTESBLQJGQXSKT-QRVBRYPASA-N 2 1 338.536 3.062 20 0 EGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)COC1 ZINC000453389748 310274264 /nfs/dbraw/zinc/27/42/64/310274264.db2.gz XOBKCAJVWPBNGF-ZCNNSNEGSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@H]1C[C@H](CC[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C[C@@H](C)C1 ZINC000490696996 311149610 /nfs/dbraw/zinc/14/96/10/311149610.db2.gz KLYGAIRGQMGVFU-VIYGXFRKSA-N 2 1 335.580 3.407 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000491589332 311185975 /nfs/dbraw/zinc/18/59/75/311185975.db2.gz PVIOHATXDHVTEW-ZDUSSCGKSA-N 2 1 334.895 3.430 20 0 EGADMP Cc1cnn(C)c1C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512046032 312174150 /nfs/dbraw/zinc/17/41/50/312174150.db2.gz PUMAUMPPLSVNCB-IEBWSBKVSA-N 2 1 326.488 3.119 20 0 EGADMP C/C(=C/c1ccccc1)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000514233733 312228625 /nfs/dbraw/zinc/22/86/25/312228625.db2.gz DPDCCZDWJTVPQA-ZAVKOYKVSA-N 2 1 336.479 3.446 20 0 EGADMP Cc1ccccc1C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000514875462 312251892 /nfs/dbraw/zinc/25/18/92/312251892.db2.gz QTUFMPIAYHXUKC-NQIIRXRSSA-N 2 1 330.516 3.407 20 0 EGADMP Cc1ccccc1C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000514875462 312251895 /nfs/dbraw/zinc/25/18/95/312251895.db2.gz QTUFMPIAYHXUKC-NQIIRXRSSA-N 2 1 330.516 3.407 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1cncnc1C ZINC000516313575 312319933 /nfs/dbraw/zinc/31/99/33/312319933.db2.gz SBSWTQALFHKCSI-MRXNPFEDSA-N 2 1 342.487 3.356 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(-c4cccs4)on3)CC2)C1 ZINC000516556900 312329346 /nfs/dbraw/zinc/32/93/46/312329346.db2.gz WRGGFXOUSGZNCG-GDBMZVCRSA-N 2 1 347.484 3.121 20 0 EGADMP CCc1sc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1C ZINC000516625969 312333945 /nfs/dbraw/zinc/33/39/45/312333945.db2.gz HZVPSYGDDFSNPQ-UHFFFAOYSA-N 2 1 344.484 3.018 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)CCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000517444934 312379546 /nfs/dbraw/zinc/37/95/46/312379546.db2.gz DRNILKWSHMLLOE-QUCCMNQESA-N 2 1 345.531 3.230 20 0 EGADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000528392581 313081938 /nfs/dbraw/zinc/08/19/38/313081938.db2.gz ULKOZKHIFXQSGY-ICSRJNTNSA-N 2 1 334.479 3.191 20 0 EGADMP COc1cccc2cc([C@@H](C)[NH2+]CCCCN3CC[NH+](C)CC3)oc21 ZINC000538398088 314244641 /nfs/dbraw/zinc/24/46/41/314244641.db2.gz JSQSFDNBRABNRI-MRXNPFEDSA-N 2 1 345.487 3.120 20 0 EGADMP COCC[NH+]1CCC([NH2+]CC(C)(C)c2c(F)cccc2Cl)CC1 ZINC000539087193 314295077 /nfs/dbraw/zinc/29/50/77/314295077.db2.gz QHLNELDRGJYAFU-UHFFFAOYSA-N 2 1 342.886 3.457 20 0 EGADMP Cc1ccncc1[C@H](C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000540083635 314361319 /nfs/dbraw/zinc/36/13/19/314361319.db2.gz AIHIRDBMKWAEFB-GHTZIAJQSA-N 2 1 338.499 3.029 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000549688161 315101104 /nfs/dbraw/zinc/10/11/04/315101104.db2.gz ODVMNDCGAFNPTJ-OAHLLOKOSA-N 2 1 337.305 3.380 20 0 EGADMP CCCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000550380005 315126347 /nfs/dbraw/zinc/12/63/47/315126347.db2.gz MBXFGOQUNGALRR-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)(O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552065122 315194983 /nfs/dbraw/zinc/19/49/83/315194983.db2.gz FYSSUZQQWZUPFU-SLFFLAALSA-N 2 1 330.516 3.428 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000552337378 315214357 /nfs/dbraw/zinc/21/43/57/315214357.db2.gz RVOSMEATUSJTGE-MYGLTJDJSA-N 2 1 341.543 3.361 20 0 EGADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552337378 315214360 /nfs/dbraw/zinc/21/43/60/315214360.db2.gz RVOSMEATUSJTGE-MYGLTJDJSA-N 2 1 341.543 3.361 20 0 EGADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552337378 315214362 /nfs/dbraw/zinc/21/43/62/315214362.db2.gz RVOSMEATUSJTGE-MYGLTJDJSA-N 2 1 341.543 3.361 20 0 EGADMP CCCN1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552337378 315214365 /nfs/dbraw/zinc/21/43/65/315214365.db2.gz RVOSMEATUSJTGE-MYGLTJDJSA-N 2 1 341.543 3.361 20 0 EGADMP CCCN1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552337378 315214368 /nfs/dbraw/zinc/21/43/68/315214368.db2.gz RVOSMEATUSJTGE-MYGLTJDJSA-N 2 1 341.543 3.361 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C(C)(C)C)C[C@@H]2C)CC1 ZINC000553987565 315292108 /nfs/dbraw/zinc/29/21/08/315292108.db2.gz QSTQJJODFPTMEU-DLBZAZTESA-N 2 1 337.552 3.122 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCC23CCOCC3)cc1F ZINC000554561242 315332876 /nfs/dbraw/zinc/33/28/76/315332876.db2.gz PRKCVNJZPCUGTC-SFHVURJKSA-N 2 1 329.419 3.369 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000554882101 315353811 /nfs/dbraw/zinc/35/38/11/315353811.db2.gz GEGOLMBMACXQGL-OAHLLOKOSA-N 2 1 337.458 3.254 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)Nc2ccn3ccnc3c2)CC[N@H+]1Cc1ccccc1 ZINC000563786151 316068032 /nfs/dbraw/zinc/06/80/32/316068032.db2.gz GKVXQRQDUVAESG-QAPCUYQASA-N 2 1 349.438 3.119 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C[C@H]1C ZINC000564459657 316155753 /nfs/dbraw/zinc/15/57/53/316155753.db2.gz LVBSBGUUTNKGSX-GGPKGHCWSA-N 2 1 345.531 3.285 20 0 EGADMP CC(C)C1CCC([NH+]2CCN(CCCc3c[nH+]cn3C)CC2)CC1 ZINC000564465750 316156391 /nfs/dbraw/zinc/15/63/91/316156391.db2.gz SQDIBMYEGUAQCW-UHFFFAOYSA-N 2 1 332.536 3.185 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000564847526 316217190 /nfs/dbraw/zinc/21/71/90/316217190.db2.gz DHAURFXZJVQJBK-AWEZNQCLSA-N 2 1 345.314 3.316 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000564847526 316217196 /nfs/dbraw/zinc/21/71/96/316217196.db2.gz DHAURFXZJVQJBK-AWEZNQCLSA-N 2 1 345.314 3.316 20 0 EGADMP CSc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)CCC2 ZINC000565303497 316306677 /nfs/dbraw/zinc/30/66/77/316306677.db2.gz KCEJLBIFGWPWHF-LJQANCHMSA-N 2 1 334.529 3.222 20 0 EGADMP CN(CCC[N@@H+](C)Cc1cc(C(F)(F)F)ccc1F)CC[NH+](C)C ZINC000565590718 316343785 /nfs/dbraw/zinc/34/37/85/316343785.db2.gz JEKBEIWHBTYCHS-UHFFFAOYSA-N 2 1 349.416 3.160 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000565652203 316352291 /nfs/dbraw/zinc/35/22/91/316352291.db2.gz AOKZWBKISMVGIB-KNQAVFIVSA-N 2 1 340.511 3.311 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](SCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)C2)cc1 ZINC000570213087 317022836 /nfs/dbraw/zinc/02/28/36/317022836.db2.gz ZFRYZTHNMDNDTF-ZCNNSNEGSA-N 2 1 346.540 3.247 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](SCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)C2)cc1 ZINC000570213087 317022838 /nfs/dbraw/zinc/02/28/38/317022838.db2.gz ZFRYZTHNMDNDTF-ZCNNSNEGSA-N 2 1 346.540 3.247 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](SCC[NH+]3C[C@H]4CC[C@@H](C3)O4)C2)cc1 ZINC000570213087 317022843 /nfs/dbraw/zinc/02/28/43/317022843.db2.gz ZFRYZTHNMDNDTF-ZCNNSNEGSA-N 2 1 346.540 3.247 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](SCC[NH+]3C[C@H]4CC[C@@H](C3)O4)C2)cc1 ZINC000570213087 317022847 /nfs/dbraw/zinc/02/28/47/317022847.db2.gz ZFRYZTHNMDNDTF-ZCNNSNEGSA-N 2 1 346.540 3.247 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Br)cn1 ZINC000571468365 317203537 /nfs/dbraw/zinc/20/35/37/317203537.db2.gz DPLONEDDLKTWEC-IACUBPJLSA-N 2 1 326.282 3.368 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000261858229 455960502 /nfs/dbraw/zinc/96/05/02/455960502.db2.gz FOMYEEDXNNCKNJ-NEPJUHHUSA-N 2 1 344.286 3.381 20 0 EGADMP CC[C@H](C)C[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000171948946 323263862 /nfs/dbraw/zinc/26/38/62/323263862.db2.gz YWWCTTCULBTNCV-INIZCTEOSA-N 2 1 349.544 3.152 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000178184390 323352320 /nfs/dbraw/zinc/35/23/20/323352320.db2.gz AKYXQIVVRIDCSP-JRPNMDOOSA-N 2 1 329.257 3.407 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000178184390 323352321 /nfs/dbraw/zinc/35/23/21/323352321.db2.gz AKYXQIVVRIDCSP-JRPNMDOOSA-N 2 1 329.257 3.407 20 0 EGADMP C[C@H](CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000379643151 324240447 /nfs/dbraw/zinc/24/04/47/324240447.db2.gz FLYOXXUSSQTRBV-GFOJFJKKSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000379643151 324240450 /nfs/dbraw/zinc/24/04/50/324240450.db2.gz FLYOXXUSSQTRBV-GFOJFJKKSA-N 3 1 329.532 3.407 20 0 EGADMP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000379643151 324240452 /nfs/dbraw/zinc/24/04/52/324240452.db2.gz FLYOXXUSSQTRBV-GFOJFJKKSA-N 3 1 329.532 3.407 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000386626673 324268820 /nfs/dbraw/zinc/26/88/20/324268820.db2.gz OTNRUKUNYXURBE-PWSUYJOCSA-N 2 1 329.307 3.429 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000386626673 324268823 /nfs/dbraw/zinc/26/88/23/324268823.db2.gz OTNRUKUNYXURBE-PWSUYJOCSA-N 2 1 329.307 3.429 20 0 EGADMP C[C@H]1CCC[C@@](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)([NH+](C)C)C1 ZINC000396317740 324292883 /nfs/dbraw/zinc/29/28/83/324292883.db2.gz GNKGKQIDNOMJRC-JWMHWRSXSA-N 2 1 336.442 3.323 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC000518833431 324390416 /nfs/dbraw/zinc/39/04/16/324390416.db2.gz SREOOWQEDIJNLU-UXHICEINSA-N 2 1 345.531 3.306 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)CC3 ZINC000580545613 325264984 /nfs/dbraw/zinc/26/49/84/325264984.db2.gz KRXHIEFXKFZNEJ-HOTGVXAUSA-N 2 1 341.499 3.354 20 0 EGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000580827863 325299630 /nfs/dbraw/zinc/29/96/30/325299630.db2.gz XCAPOSQTKXSVLH-RTBURBONSA-N 2 1 338.455 3.084 20 0 EGADMP FC(F)n1c2ccccc2nc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000580895686 325306703 /nfs/dbraw/zinc/30/67/03/325306703.db2.gz MLQPIAMBHYXUMJ-KGLIPLIRSA-N 2 1 334.414 3.253 20 0 EGADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCCc3occc32)c2cccs2)CC1 ZINC000581409369 325358431 /nfs/dbraw/zinc/35/84/31/325358431.db2.gz YMQHKOWNKIURML-IAGOWNOFSA-N 2 1 345.512 3.297 20 0 EGADMP Cc1cc(C)n(CC[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)n1 ZINC000581669780 325381334 /nfs/dbraw/zinc/38/13/34/325381334.db2.gz GWVBOLKEZWUVDI-SFHVURJKSA-N 2 1 346.544 3.324 20 0 EGADMP Cc1cc(C)n(CC[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)n1 ZINC000581669780 325381335 /nfs/dbraw/zinc/38/13/35/325381335.db2.gz GWVBOLKEZWUVDI-SFHVURJKSA-N 2 1 346.544 3.324 20 0 EGADMP Cc1cc(C)n(CC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)n1 ZINC000581669780 325381337 /nfs/dbraw/zinc/38/13/37/325381337.db2.gz GWVBOLKEZWUVDI-SFHVURJKSA-N 2 1 346.544 3.324 20 0 EGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000582235480 325424858 /nfs/dbraw/zinc/42/48/58/325424858.db2.gz QKTBSOBJOUGNNW-MSOLQXFVSA-N 2 1 338.455 3.084 20 0 EGADMP COc1c(Br)cccc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459734430 458461738 /nfs/dbraw/zinc/46/17/38/458461738.db2.gz HDJUITGXXGNJBG-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000180759726 455241060 /nfs/dbraw/zinc/24/10/60/455241060.db2.gz MZVBUIGTKFPGEK-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP C[C@H]1C[C@@H]([NH+](C)CCCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000183184982 455246708 /nfs/dbraw/zinc/24/67/08/455246708.db2.gz MBNDSAQRRRFOBJ-ICSRJNTNSA-N 2 1 326.488 3.258 20 0 EGADMP C[C@H]1C[C@@H]([NH+](C)CCCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000183184982 455246711 /nfs/dbraw/zinc/24/67/11/455246711.db2.gz MBNDSAQRRRFOBJ-ICSRJNTNSA-N 2 1 326.488 3.258 20 0 EGADMP C[C@H]1C[C@@H]([N@H+](C)CCCn2ccnc2)CC[NH+]1Cc1ccccc1 ZINC000183184982 455246712 /nfs/dbraw/zinc/24/67/12/455246712.db2.gz MBNDSAQRRRFOBJ-ICSRJNTNSA-N 2 1 326.488 3.258 20 0 EGADMP C[C@H]1C[C@@H]([N@@H+](C)CCCn2ccnc2)CC[NH+]1Cc1ccccc1 ZINC000183184982 455246714 /nfs/dbraw/zinc/24/67/14/455246714.db2.gz MBNDSAQRRRFOBJ-ICSRJNTNSA-N 2 1 326.488 3.258 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)[C@@H](C)C1 ZINC000245571805 455333215 /nfs/dbraw/zinc/33/32/15/455333215.db2.gz BXTQKENODYITMZ-DEYYWGMASA-N 2 1 339.886 3.378 20 0 EGADMP CC(C)Oc1ccc2ccccc2c1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863914 460583409 /nfs/dbraw/zinc/58/34/09/460583409.db2.gz FWHUXWSZEDOFRP-UHFFFAOYSA-N 2 1 342.483 3.173 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccccn3)CC2)oc1C ZINC000159111604 455352801 /nfs/dbraw/zinc/35/28/01/455352801.db2.gz SPTVHMXQXBZWLT-HNNXBMFYSA-N 2 1 328.460 3.249 20 0 EGADMP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181687393 455372351 /nfs/dbraw/zinc/37/23/51/455372351.db2.gz FMENDGNLYWUOOC-KURKYZTESA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000066960825 453890198 /nfs/dbraw/zinc/89/01/98/453890198.db2.gz JVMITMIKVZZZBJ-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP COc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1Br ZINC000035015711 453921838 /nfs/dbraw/zinc/92/18/38/453921838.db2.gz DJCIQGKXPMYSEB-UHFFFAOYSA-N 2 1 327.266 3.033 20 0 EGADMP COc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1O ZINC000075799832 453926886 /nfs/dbraw/zinc/92/68/86/453926886.db2.gz PFFGRRQOCVPKNC-UHFFFAOYSA-N 2 1 340.467 3.198 20 0 EGADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1cccc(Cl)c1 ZINC000075834346 453929838 /nfs/dbraw/zinc/92/98/38/453929838.db2.gz ISJMWJYDFJJTHX-INIZCTEOSA-N 2 1 349.906 3.476 20 0 EGADMP CN(C)C(=O)Sc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000084076432 453967871 /nfs/dbraw/zinc/96/78/71/453967871.db2.gz MSIZTKZAGQUFSF-MRXNPFEDSA-N 2 1 335.517 3.234 20 0 EGADMP CN(C)C(=O)Sc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000084076432 453967873 /nfs/dbraw/zinc/96/78/73/453967873.db2.gz MSIZTKZAGQUFSF-MRXNPFEDSA-N 2 1 335.517 3.234 20 0 EGADMP CN(C)C(=O)Sc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000084076432 453967876 /nfs/dbraw/zinc/96/78/76/453967876.db2.gz MSIZTKZAGQUFSF-MRXNPFEDSA-N 2 1 335.517 3.234 20 0 EGADMP CN(C)C(=O)Sc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000084076432 453967880 /nfs/dbraw/zinc/96/78/80/453967880.db2.gz MSIZTKZAGQUFSF-MRXNPFEDSA-N 2 1 335.517 3.234 20 0 EGADMP CCc1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000076330917 453989410 /nfs/dbraw/zinc/98/94/10/453989410.db2.gz PNFKJLGLFHALLC-IBGZPJMESA-N 2 1 346.519 3.129 20 0 EGADMP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000057169958 454108524 /nfs/dbraw/zinc/10/85/24/454108524.db2.gz ONZDTKXXRZUWLC-FQEVSTJZSA-N 2 1 337.467 3.351 20 0 EGADMP C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000088699584 454117110 /nfs/dbraw/zinc/11/71/10/454117110.db2.gz WIVFCZVNKBJPKA-DYESRHJHSA-N 2 1 346.515 3.454 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000057893738 454155164 /nfs/dbraw/zinc/15/51/64/454155164.db2.gz JZSOSRRAIDJIBF-VQTJNVASSA-N 2 1 339.483 3.099 20 0 EGADMP FC(F)(F)c1ccccc1OCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089552072 454162043 /nfs/dbraw/zinc/16/20/43/454162043.db2.gz ZQZINUYHKGCGTQ-UONOGXRCSA-N 2 1 328.378 3.301 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)C(C)(C)C)CC1 ZINC000130452931 454199581 /nfs/dbraw/zinc/19/95/81/454199581.db2.gz XQOFARYNCKZKFT-UHFFFAOYSA-N 2 1 345.531 3.276 20 0 EGADMP CC[N@H+](Cc1ccc(C(=O)NCCCn2cc[nH+]c2C)cc1)C(C)C ZINC000058417968 454201725 /nfs/dbraw/zinc/20/17/25/454201725.db2.gz OEDGYNLKCMOKST-UHFFFAOYSA-N 2 1 342.487 3.242 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCCCn2cc[nH+]c2C)cc1)C(C)C ZINC000058417968 454201729 /nfs/dbraw/zinc/20/17/29/454201729.db2.gz OEDGYNLKCMOKST-UHFFFAOYSA-N 2 1 342.487 3.242 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000119652850 454210725 /nfs/dbraw/zinc/21/07/25/454210725.db2.gz HSPDEYUCGIXICS-AWEZNQCLSA-N 2 1 342.487 3.248 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1C[NH+]1CCCCC1 ZINC000095984903 454252185 /nfs/dbraw/zinc/25/21/85/454252185.db2.gz FJVTXJMZDIYXIH-QGZVFWFLSA-N 3 1 345.531 3.426 20 0 EGADMP O[C@@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(Cl)cccc1Cl ZINC000090079082 454274712 /nfs/dbraw/zinc/27/47/12/454274712.db2.gz UAXQYFFAFXYYBN-ZOWXZIJZSA-N 2 1 329.271 3.243 20 0 EGADMP O[C@@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1c(Cl)cccc1Cl ZINC000090079082 454274715 /nfs/dbraw/zinc/27/47/15/454274715.db2.gz UAXQYFFAFXYYBN-ZOWXZIJZSA-N 2 1 329.271 3.243 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC000078637958 454289735 /nfs/dbraw/zinc/28/97/35/454289735.db2.gz MIMNFPDMLAKHMH-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC000073215347 454409192 /nfs/dbraw/zinc/40/91/92/454409192.db2.gz FRMJHRGNJQWJMJ-KRWDZBQOSA-N 2 1 334.508 3.167 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC000073215347 454409196 /nfs/dbraw/zinc/40/91/96/454409196.db2.gz FRMJHRGNJQWJMJ-KRWDZBQOSA-N 2 1 334.508 3.167 20 0 EGADMP Cc1ccc([C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C2CC2)cc1 ZINC000091333137 454427497 /nfs/dbraw/zinc/42/74/97/454427497.db2.gz MQKSNINZQXOFPZ-OAQYLSRUSA-N 2 1 329.532 3.309 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000121432504 454434111 /nfs/dbraw/zinc/43/41/11/454434111.db2.gz ZCXZYVITXSXLIX-KGLIPLIRSA-N 2 1 340.471 3.408 20 0 EGADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc2c(c1)OCCO2 ZINC000121444293 454436444 /nfs/dbraw/zinc/43/64/44/454436444.db2.gz YUYKLSJSALAUHJ-WMLDXEAASA-N 2 1 329.444 3.340 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCS[C@H]2COCC[C@@H]21 ZINC000091856318 454482334 /nfs/dbraw/zinc/48/23/34/454482334.db2.gz HJAPJWBWUJWWCB-OALUTQOASA-N 2 1 348.556 3.351 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCS[C@H]2COCC[C@@H]21 ZINC000091856318 454482340 /nfs/dbraw/zinc/48/23/40/454482340.db2.gz HJAPJWBWUJWWCB-OALUTQOASA-N 2 1 348.556 3.351 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000091856318 454482343 /nfs/dbraw/zinc/48/23/43/454482343.db2.gz HJAPJWBWUJWWCB-OALUTQOASA-N 2 1 348.556 3.351 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000091856318 454482349 /nfs/dbraw/zinc/48/23/49/454482349.db2.gz HJAPJWBWUJWWCB-OALUTQOASA-N 2 1 348.556 3.351 20 0 EGADMP CCC[C@H](C)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000079863780 454491835 /nfs/dbraw/zinc/49/18/35/454491835.db2.gz KUJDGCLPTNPFQC-KRWDZBQOSA-N 2 1 331.504 3.019 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000121941000 454496777 /nfs/dbraw/zinc/49/67/77/454496777.db2.gz GNFLKRCLCAZUKR-LBPRGKRZSA-N 2 1 331.851 3.158 20 0 EGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(F)cccc3N3CCCC3)CC[C@@H]21 ZINC000092043659 454508326 /nfs/dbraw/zinc/50/83/26/454508326.db2.gz RGGJCMSTIUDYLW-LPHOPBHVSA-N 2 1 331.479 3.342 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(F)cccc3N3CCCC3)CC[C@@H]21 ZINC000092043659 454508328 /nfs/dbraw/zinc/50/83/28/454508328.db2.gz RGGJCMSTIUDYLW-LPHOPBHVSA-N 2 1 331.479 3.342 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(F)cccc3N3CCCC3)CC[C@@H]21 ZINC000092043659 454508331 /nfs/dbraw/zinc/50/83/31/454508331.db2.gz RGGJCMSTIUDYLW-LPHOPBHVSA-N 2 1 331.479 3.342 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(F)cccc3N3CCCC3)CC[C@@H]21 ZINC000092043659 454508334 /nfs/dbraw/zinc/50/83/34/454508334.db2.gz RGGJCMSTIUDYLW-LPHOPBHVSA-N 2 1 331.479 3.342 20 0 EGADMP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cc1O ZINC000048716591 454510422 /nfs/dbraw/zinc/51/04/22/454510422.db2.gz KBMUEVRWGGXFIQ-UHFFFAOYSA-N 2 1 340.467 3.463 20 0 EGADMP CC[C@@]1(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000134564113 454560685 /nfs/dbraw/zinc/56/06/85/454560685.db2.gz SZTBZQQOSYLOGX-UWJYYQICSA-N 2 1 343.515 3.067 20 0 EGADMP COc1ccccc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587445 454591065 /nfs/dbraw/zinc/59/10/65/454591065.db2.gz CPIUZADUMIRWCU-CALCHBBNSA-N 2 1 332.488 3.016 20 0 EGADMP COc1ccnc(N2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)c1 ZINC000104720177 454598740 /nfs/dbraw/zinc/59/87/40/454598740.db2.gz VZBVMCXSUYERIN-UHFFFAOYSA-N 2 1 349.381 3.014 20 0 EGADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134926165 454610909 /nfs/dbraw/zinc/61/09/09/454610909.db2.gz PYBLWRLUHKJTJM-YLJYHZDGSA-N 2 1 327.472 3.094 20 0 EGADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134926165 454610914 /nfs/dbraw/zinc/61/09/14/454610914.db2.gz PYBLWRLUHKJTJM-YLJYHZDGSA-N 2 1 327.472 3.094 20 0 EGADMP CC(=O)Nc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134926165 454610918 /nfs/dbraw/zinc/61/09/18/454610918.db2.gz PYBLWRLUHKJTJM-YLJYHZDGSA-N 2 1 327.472 3.094 20 0 EGADMP CC(=O)Nc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134926165 454610922 /nfs/dbraw/zinc/61/09/22/454610922.db2.gz PYBLWRLUHKJTJM-YLJYHZDGSA-N 2 1 327.472 3.094 20 0 EGADMP CCc1ccccc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134931210 454611295 /nfs/dbraw/zinc/61/12/95/454611295.db2.gz IKJWDMWFYVWEDP-YLJYHZDGSA-N 2 1 341.499 3.136 20 0 EGADMP CC(=O)NCCc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000092720626 454616698 /nfs/dbraw/zinc/61/66/98/454616698.db2.gz JMBVPKHOJPQVAE-MSOLQXFVSA-N 2 1 345.531 3.280 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000123234031 454619181 /nfs/dbraw/zinc/61/91/81/454619181.db2.gz UXPDEJKZGPPKHG-IXDOHACOSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000123234031 454619185 /nfs/dbraw/zinc/61/91/85/454619185.db2.gz UXPDEJKZGPPKHG-IXDOHACOSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000123234031 454619188 /nfs/dbraw/zinc/61/91/88/454619188.db2.gz UXPDEJKZGPPKHG-IXDOHACOSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000123234031 454619192 /nfs/dbraw/zinc/61/91/92/454619192.db2.gz UXPDEJKZGPPKHG-IXDOHACOSA-N 2 1 339.524 3.048 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000092766654 454629393 /nfs/dbraw/zinc/62/93/93/454629393.db2.gz WBNKLMFWBDROLT-YUELXQCFSA-N 2 1 325.522 3.164 20 0 EGADMP Cc1cc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)nc(C)[nH+]1 ZINC000080984160 454665665 /nfs/dbraw/zinc/66/56/65/454665665.db2.gz OHOIACQZISMAIP-INIZCTEOSA-N 2 1 340.471 3.405 20 0 EGADMP C[N@H+](Cc1ccc(Oc2cnccn2)cc1)CC1CC[NH+](C)CC1 ZINC000093089268 454680348 /nfs/dbraw/zinc/68/03/48/454680348.db2.gz ZYGARZXFTMQPJA-UHFFFAOYSA-N 2 1 326.444 3.043 20 0 EGADMP CCc1oc2ccccc2c1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000093394941 454711135 /nfs/dbraw/zinc/71/11/35/454711135.db2.gz GADZYBVCCIXRIF-UHFFFAOYSA-N 2 1 330.472 3.274 20 0 EGADMP CCc1oc2ccccc2c1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000093394941 454711137 /nfs/dbraw/zinc/71/11/37/454711137.db2.gz GADZYBVCCIXRIF-UHFFFAOYSA-N 2 1 330.472 3.274 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000124664192 454758368 /nfs/dbraw/zinc/75/83/68/454758368.db2.gz SRTRLEXARBJGQS-UHFFFAOYSA-N 2 1 332.879 3.366 20 0 EGADMP C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000138078287 454788424 /nfs/dbraw/zinc/78/84/24/454788424.db2.gz VYPAYAJNRVLOPI-ROUUACIJSA-N 2 1 326.488 3.436 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000125071369 454795111 /nfs/dbraw/zinc/79/51/11/454795111.db2.gz DIUKIYVJNLTPLJ-NQIIRXRSSA-N 3 1 329.532 3.492 20 0 EGADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000125071369 454795115 /nfs/dbraw/zinc/79/51/15/454795115.db2.gz DIUKIYVJNLTPLJ-NQIIRXRSSA-N 2 1 329.532 3.492 20 0 EGADMP C[N@H+]1CCC[C@H](CNCc2ccccc2OCc2cccnc2)C1 ZINC000108427873 454797605 /nfs/dbraw/zinc/79/76/05/454797605.db2.gz GFHNUJRFPHMWPS-QGZVFWFLSA-N 2 1 325.456 3.092 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000108427873 454797613 /nfs/dbraw/zinc/79/76/13/454797613.db2.gz GFHNUJRFPHMWPS-QGZVFWFLSA-N 2 1 325.456 3.092 20 0 EGADMP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)c1cnn(C)c1 ZINC000153688185 454821117 /nfs/dbraw/zinc/82/11/17/454821117.db2.gz DMPJUANMEIIVMO-KRWDZBQOSA-N 2 1 327.407 3.294 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000266861965 455464755 /nfs/dbraw/zinc/46/47/55/455464755.db2.gz VAMXGHYYKVMANW-ROUUACIJSA-N 2 1 333.520 3.134 20 0 EGADMP CC(C)COCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000163292624 454836446 /nfs/dbraw/zinc/83/64/46/454836446.db2.gz BVCYTOQNBCOVRT-UHFFFAOYSA-N 2 1 336.495 3.485 20 0 EGADMP C[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000111563526 454869348 /nfs/dbraw/zinc/86/93/48/454869348.db2.gz DCBNUUFJHMIRAQ-INIZCTEOSA-N 2 1 337.467 3.134 20 0 EGADMP C[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000111563526 454869353 /nfs/dbraw/zinc/86/93/53/454869353.db2.gz DCBNUUFJHMIRAQ-INIZCTEOSA-N 2 1 337.467 3.134 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Br)s2)[C@H](C)C1 ZINC000154187682 454872313 /nfs/dbraw/zinc/87/23/13/454872313.db2.gz CBFMXLIUIHETSC-YPMHNXCESA-N 2 1 331.323 3.373 20 0 EGADMP COc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1OC(F)F ZINC000112131598 454880727 /nfs/dbraw/zinc/88/07/27/454880727.db2.gz FLMBPTFFNIEHIM-UHFFFAOYSA-N 2 1 349.381 3.014 20 0 EGADMP CC[C@H](C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC000126465165 454895499 /nfs/dbraw/zinc/89/54/99/454895499.db2.gz AXIXWDJOVWVCAL-HXUWFJFHSA-N 2 1 345.531 3.408 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cnn(C)c1 ZINC000165292004 454897631 /nfs/dbraw/zinc/89/76/31/454897631.db2.gz WTRORUDDXDWVNW-ICSRJNTNSA-N 2 1 326.488 3.025 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000154502300 454902152 /nfs/dbraw/zinc/90/21/52/454902152.db2.gz OQJOZVSBSMIVDA-HNNXBMFYSA-N 2 1 325.447 3.033 20 0 EGADMP CCOc1ccccc1[C@@H](C)[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000154531230 454904752 /nfs/dbraw/zinc/90/47/52/454904752.db2.gz OUASQYQHPATGQN-GOSISDBHSA-N 2 1 333.520 3.154 20 0 EGADMP CC(C)C[C@@H](CCO)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000154626542 454913437 /nfs/dbraw/zinc/91/34/37/454913437.db2.gz PWMBJGJTRVEAHJ-HXUWFJFHSA-N 2 1 332.532 3.328 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000151045816 454929859 /nfs/dbraw/zinc/92/98/59/454929859.db2.gz PAPVDMAWGVSKPY-GPMSIDNRSA-N 2 1 329.488 3.022 20 0 EGADMP COc1cccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)[NH+]2CCCC2)c1 ZINC000154849041 454936099 /nfs/dbraw/zinc/93/60/99/454936099.db2.gz NWFMYUJINMRXHU-DGQTTZFYSA-N 2 1 345.531 3.150 20 0 EGADMP COc1cccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)N2CCCC2)c1 ZINC000154849041 454936102 /nfs/dbraw/zinc/93/61/02/454936102.db2.gz NWFMYUJINMRXHU-DGQTTZFYSA-N 2 1 345.531 3.150 20 0 EGADMP COc1cccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)N2CCCC2)c1 ZINC000154849041 454936106 /nfs/dbraw/zinc/93/61/06/454936106.db2.gz NWFMYUJINMRXHU-DGQTTZFYSA-N 2 1 345.531 3.150 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000127396044 454960623 /nfs/dbraw/zinc/96/06/23/454960623.db2.gz LXYHZALRHFDYAJ-HXUWFJFHSA-N 2 1 327.472 3.305 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000127396044 454960627 /nfs/dbraw/zinc/96/06/27/454960627.db2.gz LXYHZALRHFDYAJ-HXUWFJFHSA-N 2 1 327.472 3.305 20 0 EGADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000155112667 454964936 /nfs/dbraw/zinc/96/49/36/454964936.db2.gz ZEFLPZLZJCJWSA-IRXDYDNUSA-N 2 1 327.472 3.233 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1)C(C)C ZINC000178833731 454982585 /nfs/dbraw/zinc/98/25/85/454982585.db2.gz RJDVUCRSGKPFDJ-MRXNPFEDSA-N 2 1 331.504 3.116 20 0 EGADMP CC[C@@H](CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[NH+]1CCCC1 ZINC000151657491 455013925 /nfs/dbraw/zinc/01/39/25/455013925.db2.gz SUAMFNPAGWLJDM-HKUYNNGSSA-N 2 1 333.520 3.152 20 0 EGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000128585286 455069671 /nfs/dbraw/zinc/06/96/71/455069671.db2.gz GRBWEGMUBKQMRG-SFHVURJKSA-N 2 1 329.532 3.244 20 0 EGADMP C[C@@H](NCC[NH+]1CCC(C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000155991902 455070012 /nfs/dbraw/zinc/07/00/12/455070012.db2.gz MBMCQZDRFAPLEF-GOSISDBHSA-N 2 1 333.520 3.010 20 0 EGADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000623655927 460663259 /nfs/dbraw/zinc/66/32/59/460663259.db2.gz IULPBJDXOSUKIV-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000623655927 460663264 /nfs/dbraw/zinc/66/32/64/460663264.db2.gz IULPBJDXOSUKIV-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000623655778 460663980 /nfs/dbraw/zinc/66/39/80/460663980.db2.gz FCWJMCOUGCKWTM-MRXNPFEDSA-N 2 1 346.906 3.406 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000623655778 460663986 /nfs/dbraw/zinc/66/39/86/460663986.db2.gz FCWJMCOUGCKWTM-MRXNPFEDSA-N 2 1 346.906 3.406 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)N1CCC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000172417750 455152457 /nfs/dbraw/zinc/15/24/57/455152457.db2.gz JNQZCOZLMZBFQJ-HXUWFJFHSA-N 2 1 343.515 3.156 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000172417750 455152459 /nfs/dbraw/zinc/15/24/59/455152459.db2.gz JNQZCOZLMZBFQJ-HXUWFJFHSA-N 2 1 343.515 3.156 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1 ZINC000172417750 455152462 /nfs/dbraw/zinc/15/24/62/455152462.db2.gz JNQZCOZLMZBFQJ-HXUWFJFHSA-N 2 1 343.515 3.156 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000172417750 455152465 /nfs/dbraw/zinc/15/24/65/455152465.db2.gz JNQZCOZLMZBFQJ-HXUWFJFHSA-N 2 1 343.515 3.156 20 0 EGADMP C[N@H+]1CCCC[C@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657174 460665014 /nfs/dbraw/zinc/66/50/14/460665014.db2.gz KUTFAXOZLOFRDX-UXHICEINSA-N 2 1 329.532 3.361 20 0 EGADMP C[NH+]1CCCC[C@H](CN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657174 460665020 /nfs/dbraw/zinc/66/50/20/460665020.db2.gz KUTFAXOZLOFRDX-UXHICEINSA-N 2 1 329.532 3.361 20 0 EGADMP C[NH+]1CCCC[C@H](CN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657174 460665025 /nfs/dbraw/zinc/66/50/25/460665025.db2.gz KUTFAXOZLOFRDX-UXHICEINSA-N 2 1 329.532 3.361 20 0 EGADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657174 460665027 /nfs/dbraw/zinc/66/50/27/460665027.db2.gz KUTFAXOZLOFRDX-UXHICEINSA-N 2 1 329.532 3.361 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657174 460665030 /nfs/dbraw/zinc/66/50/30/460665030.db2.gz KUTFAXOZLOFRDX-UXHICEINSA-N 2 1 329.532 3.361 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180406868 455164844 /nfs/dbraw/zinc/16/48/44/455164844.db2.gz IYFBKYFEEQJUPH-FHERZECASA-N 2 1 327.513 3.142 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180406868 455164846 /nfs/dbraw/zinc/16/48/46/455164846.db2.gz IYFBKYFEEQJUPH-FHERZECASA-N 2 1 327.513 3.142 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000237478940 455188085 /nfs/dbraw/zinc/18/80/85/455188085.db2.gz QUFCQZJSJOAQOL-KBAYOESNSA-N 2 1 329.488 3.375 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000245436540 455299460 /nfs/dbraw/zinc/29/94/60/455299460.db2.gz RBYLJNWTJGIPPI-VQTJNVASSA-N 2 1 348.531 3.015 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000245436540 455299462 /nfs/dbraw/zinc/29/94/62/455299462.db2.gz RBYLJNWTJGIPPI-VQTJNVASSA-N 2 1 348.531 3.015 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000245436540 455299464 /nfs/dbraw/zinc/29/94/64/455299464.db2.gz RBYLJNWTJGIPPI-VQTJNVASSA-N 2 1 348.531 3.015 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000245436540 455299467 /nfs/dbraw/zinc/29/94/67/455299467.db2.gz RBYLJNWTJGIPPI-VQTJNVASSA-N 2 1 348.531 3.015 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ncc(Cl)cc2Cl)[C@@H](C)C1 ZINC000246282898 455464234 /nfs/dbraw/zinc/46/42/34/455464234.db2.gz BRBCMIHMXRDZET-SMDDNHRTSA-N 2 1 332.275 3.087 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000246291618 455464776 /nfs/dbraw/zinc/46/47/76/455464776.db2.gz NIQUNMAKDQWDRP-FUMNGEBKSA-N 2 1 349.563 3.397 20 0 EGADMP c1cnc2c(c1)cccc2OCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246314399 455470108 /nfs/dbraw/zinc/47/01/08/455470108.db2.gz DYAXTVJQCYIVNO-MSOLQXFVSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCC(=O)OCc1ccccc1 ZINC000182277548 455478526 /nfs/dbraw/zinc/47/85/26/455478526.db2.gz DXLFFQMSBZEIKV-AOIWGVFYSA-N 2 1 332.488 3.218 20 0 EGADMP Cc1ccccc1OCCC[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000191456872 455486507 /nfs/dbraw/zinc/48/65/07/455486507.db2.gz HOQVZTBCMOMBQY-UHFFFAOYSA-N 2 1 347.547 3.112 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000191483560 455488635 /nfs/dbraw/zinc/48/86/35/455488635.db2.gz ATAOPHHHPBUDBN-RCCFBDPRSA-N 2 1 348.535 3.241 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000191483560 455488640 /nfs/dbraw/zinc/48/86/40/455488640.db2.gz ATAOPHHHPBUDBN-RCCFBDPRSA-N 2 1 348.535 3.241 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000191520534 455493224 /nfs/dbraw/zinc/49/32/24/455493224.db2.gz HUDSTJCFGZTBPW-ROUUACIJSA-N 2 1 348.535 3.337 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000191520534 455493229 /nfs/dbraw/zinc/49/32/29/455493229.db2.gz HUDSTJCFGZTBPW-ROUUACIJSA-N 2 1 348.535 3.337 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Br)s2)[C@@H](C)C1 ZINC000246839141 455529575 /nfs/dbraw/zinc/52/95/75/455529575.db2.gz CBFMXLIUIHETSC-AAEUAGOBSA-N 2 1 331.323 3.373 20 0 EGADMP COc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc(OC)c1OC ZINC000247007200 455542722 /nfs/dbraw/zinc/54/27/22/455542722.db2.gz KCYODNDBKQANMJ-CWRNSKLLSA-N 2 1 336.476 3.236 20 0 EGADMP CCC(CC)(CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000601019077 460677281 /nfs/dbraw/zinc/67/72/81/460677281.db2.gz GRAZZTPWHGAIDT-PKOBYXMFSA-N 2 1 345.531 3.497 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000247073789 455555719 /nfs/dbraw/zinc/55/57/19/455555719.db2.gz OKNBJKRPSIORKH-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)C1 ZINC000247073789 455555721 /nfs/dbraw/zinc/55/57/21/455555721.db2.gz OKNBJKRPSIORKH-LVCYWYKZSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)C1 ZINC000247073789 455555725 /nfs/dbraw/zinc/55/57/25/455555725.db2.gz OKNBJKRPSIORKH-LVCYWYKZSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@@H](C)C3)cc2)C1 ZINC000247073789 455555727 /nfs/dbraw/zinc/55/57/27/455555727.db2.gz OKNBJKRPSIORKH-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@@H](C)C3)cc2)C1 ZINC000247073789 455555730 /nfs/dbraw/zinc/55/57/30/455555730.db2.gz OKNBJKRPSIORKH-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000247073789 455555735 /nfs/dbraw/zinc/55/57/35/455555735.db2.gz OKNBJKRPSIORKH-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000247073789 455555737 /nfs/dbraw/zinc/55/57/37/455555737.db2.gz OKNBJKRPSIORKH-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)C1 ZINC000247073789 455555740 /nfs/dbraw/zinc/55/57/40/455555740.db2.gz OKNBJKRPSIORKH-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)C1 ZINC000247073789 455555743 /nfs/dbraw/zinc/55/57/43/455555743.db2.gz OKNBJKRPSIORKH-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000247082805 455556319 /nfs/dbraw/zinc/55/63/19/455556319.db2.gz NPEZKDBALGIONO-VQHPVUNQSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000247082805 455556323 /nfs/dbraw/zinc/55/63/23/455556323.db2.gz NPEZKDBALGIONO-VQHPVUNQSA-N 2 1 339.524 3.142 20 0 EGADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000247145204 455565641 /nfs/dbraw/zinc/56/56/41/455565641.db2.gz WMNVCSLVSMSJRC-FUHIMQAGSA-N 2 1 334.504 3.056 20 0 EGADMP CCc1ccccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185659516 455591189 /nfs/dbraw/zinc/59/11/89/455591189.db2.gz XTPPVIJFFBOVMV-AEFFLSMTSA-N 2 1 343.515 3.430 20 0 EGADMP CCc1ccccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185659516 455591190 /nfs/dbraw/zinc/59/11/90/455591190.db2.gz XTPPVIJFFBOVMV-AEFFLSMTSA-N 2 1 343.515 3.430 20 0 EGADMP Cc1ccccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185679144 455594247 /nfs/dbraw/zinc/59/42/47/455594247.db2.gz NOYOJODYPRNYDN-IAGOWNOFSA-N 2 1 329.488 3.176 20 0 EGADMP Cc1ccccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185679144 455594253 /nfs/dbraw/zinc/59/42/53/455594253.db2.gz NOYOJODYPRNYDN-IAGOWNOFSA-N 2 1 329.488 3.176 20 0 EGADMP C[C@H]([NH2+]CC(=O)N(C)C1CCC(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185688720 455597622 /nfs/dbraw/zinc/59/76/22/455597622.db2.gz IGEZZHFPZWDGQN-CXUOOODFSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]([NH2+]CC(=O)N(C)C1CCC(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185688720 455597625 /nfs/dbraw/zinc/59/76/25/455597625.db2.gz IGEZZHFPZWDGQN-CXUOOODFSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185702365 455600451 /nfs/dbraw/zinc/60/04/51/455600451.db2.gz HWHDBESCSSRRMK-SJORKVTESA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](NCC(=O)N(C)C1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185702365 455600443 /nfs/dbraw/zinc/60/04/43/455600443.db2.gz HWHDBESCSSRRMK-SJORKVTESA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185702365 455600457 /nfs/dbraw/zinc/60/04/57/455600457.db2.gz HWHDBESCSSRRMK-SJORKVTESA-N 2 1 335.536 3.020 20 0 EGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1sccc1C[NH+](C)C ZINC000268195517 455615395 /nfs/dbraw/zinc/61/53/95/455615395.db2.gz YAMIPNFGENUWHK-UHFFFAOYSA-N 2 1 331.485 3.432 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2cccs2)cc1 ZINC000277728299 455648470 /nfs/dbraw/zinc/64/84/70/455648470.db2.gz NWMISIVQWARBTH-UHFFFAOYSA-N 2 1 343.540 3.484 20 0 EGADMP CC(C)[N@@H+](C)CCCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000268314412 455648595 /nfs/dbraw/zinc/64/85/95/455648595.db2.gz CRLRDOMMSBUUHJ-UHFFFAOYSA-N 3 1 346.563 3.037 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Cl)s1 ZINC000271488464 455656917 /nfs/dbraw/zinc/65/69/17/455656917.db2.gz JYCYOEAPVFCQDD-FPMFFAJLSA-N 2 1 328.909 3.430 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1OC(F)F ZINC000247999939 455667868 /nfs/dbraw/zinc/66/78/68/455667868.db2.gz KHRHYHQXCAFKGA-GJZGRUSLSA-N 2 1 342.430 3.176 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000271532264 455674671 /nfs/dbraw/zinc/67/46/71/455674671.db2.gz RIKNXMLFGGEEIU-KDOFPFPSSA-N 2 1 328.460 3.078 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cnc2ccsc2c1 ZINC000271546473 455679863 /nfs/dbraw/zinc/67/98/63/455679863.db2.gz UHXRPYZPEWRNES-MORSLUCNSA-N 2 1 345.512 3.325 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cncc(Br)c2)C2CC2)CC[N@@H+]1C ZINC000284464289 455690448 /nfs/dbraw/zinc/69/04/48/455690448.db2.gz VIFBBJUTYFANLN-XFBWCDHKSA-N 2 1 338.293 3.368 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cncc(Br)c2)C2CC2)CC[N@H+]1C ZINC000284464289 455690450 /nfs/dbraw/zinc/69/04/50/455690450.db2.gz VIFBBJUTYFANLN-XFBWCDHKSA-N 2 1 338.293 3.368 20 0 EGADMP Cc1ccccc1C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000284472675 455692163 /nfs/dbraw/zinc/69/21/63/455692163.db2.gz UMDKMHHFDZUAKO-LEWJYISDSA-N 2 1 330.516 3.143 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Cl)c3cccnc23)CCCO1 ZINC000277884949 455696759 /nfs/dbraw/zinc/69/67/59/455696759.db2.gz OEBWMGOVMRUWAO-HNNXBMFYSA-N 2 1 347.890 3.479 20 0 EGADMP Cc1nn(C)cc1[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268835238 455715830 /nfs/dbraw/zinc/71/58/30/455715830.db2.gz DDGHEJMEPYSMGJ-GUXCAODWSA-N 2 1 326.488 3.290 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268835238 455715837 /nfs/dbraw/zinc/71/58/37/455715837.db2.gz DDGHEJMEPYSMGJ-GUXCAODWSA-N 2 1 326.488 3.290 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268835238 455715840 /nfs/dbraw/zinc/71/58/40/455715840.db2.gz DDGHEJMEPYSMGJ-GUXCAODWSA-N 2 1 326.488 3.290 20 0 EGADMP COc1ccc2oc(C[NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)cc2c1 ZINC000277968830 455723444 /nfs/dbraw/zinc/72/34/44/455723444.db2.gz SLXPMZCKWSTEDC-OAHLLOKOSA-N 2 1 332.444 3.032 20 0 EGADMP COc1ccc2oc(C[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)cc2c1 ZINC000277968830 455723446 /nfs/dbraw/zinc/72/34/46/455723446.db2.gz SLXPMZCKWSTEDC-OAHLLOKOSA-N 2 1 332.444 3.032 20 0 EGADMP C[C@H]([NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccnn1C ZINC000192961175 455726601 /nfs/dbraw/zinc/72/66/01/455726601.db2.gz KLXNMOCHKYLKDP-XKMFVZKXSA-N 2 1 326.488 3.227 20 0 EGADMP C[C@H]([NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccnn1C ZINC000192961175 455726608 /nfs/dbraw/zinc/72/66/08/455726608.db2.gz KLXNMOCHKYLKDP-XKMFVZKXSA-N 2 1 326.488 3.227 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(N2CCOC2=O)cc1 ZINC000271829332 455778636 /nfs/dbraw/zinc/77/86/36/455778636.db2.gz RLBSPPUYHCIWOR-RDJZCZTQSA-N 2 1 331.460 3.168 20 0 EGADMP COc1ccc(C(=O)CCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000285283159 455817402 /nfs/dbraw/zinc/81/74/02/455817402.db2.gz AQNGGVDMEVFTPD-PXNSSMCTSA-N 2 1 342.483 3.217 20 0 EGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000280064854 455882513 /nfs/dbraw/zinc/88/25/13/455882513.db2.gz XEKBDRVPBANYJD-HUUCEWRRSA-N 2 1 331.460 3.381 20 0 EGADMP c1c[nH]c([C@H]([NH2+]CCCCC[NH+]2CCCCC2)c2cccnc2)n1 ZINC000195034550 455915156 /nfs/dbraw/zinc/91/51/56/455915156.db2.gz SVQOYXWDDAQNET-GOSISDBHSA-N 2 1 327.476 3.140 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)CO2 ZINC000296444841 455939908 /nfs/dbraw/zinc/93/99/08/455939908.db2.gz MWCCPMCVFSQAPS-NUJGCVRESA-N 2 1 344.499 3.241 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)c1ccccc1 ZINC000635189088 460703044 /nfs/dbraw/zinc/70/30/44/460703044.db2.gz OWEGSOGTEAVRGS-SFHVURJKSA-N 2 1 342.487 3.206 20 0 EGADMP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000296506284 455958310 /nfs/dbraw/zinc/95/83/10/455958310.db2.gz PHLBJEHNKPGDRT-LLVBAIKDSA-N 2 1 342.527 3.428 20 0 EGADMP [NH3+]CC1(CC(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)CCCCC1 ZINC000261956237 455977556 /nfs/dbraw/zinc/97/75/56/455977556.db2.gz LYTDMJWAZKYBOA-KRWDZBQOSA-N 2 1 349.906 3.112 20 0 EGADMP CCn1nc(C)c(CNCc2ccccc2C[N@H+]2CCCC[C@@H]2C)n1 ZINC000296574183 455977927 /nfs/dbraw/zinc/97/79/27/455977927.db2.gz WJEKHDIUGAZMET-INIZCTEOSA-N 2 1 341.503 3.271 20 0 EGADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270545521 455979866 /nfs/dbraw/zinc/97/98/66/455979866.db2.gz YCYCDGGIJSUNKD-HNNXBMFYSA-N 2 1 346.906 3.390 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000262013937 455986582 /nfs/dbraw/zinc/98/65/82/455986582.db2.gz WSGIGWVRCIMRBG-VXGBXAGGSA-N 2 1 344.286 3.381 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3coc(C[NH3+])c3)cc2)C1 ZINC000188060227 455988322 /nfs/dbraw/zinc/98/83/22/455988322.db2.gz AEKRKAVZNQPFAN-AWEZNQCLSA-N 2 1 327.428 3.223 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@@H]([NH3+])[C@H](C)C3)CCC2)c1 ZINC000262132563 456001577 /nfs/dbraw/zinc/00/15/77/456001577.db2.gz OCDZYNWPLPOUCW-VQIMIIECSA-N 2 1 332.488 3.051 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262199595 456011273 /nfs/dbraw/zinc/01/12/73/456011273.db2.gz UVHZRNRBTCELFA-DBVUQKKJSA-N 2 1 343.515 3.064 20 0 EGADMP COc1c(O)cccc1CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272612931 456013890 /nfs/dbraw/zinc/01/38/90/456013890.db2.gz KSYSOSBDPIMHFC-VQIMIIECSA-N 2 1 340.467 3.401 20 0 EGADMP COc1c(O)cccc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272612931 456013897 /nfs/dbraw/zinc/01/38/97/456013897.db2.gz KSYSOSBDPIMHFC-VQIMIIECSA-N 2 1 340.467 3.401 20 0 EGADMP COc1c(O)cccc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272612931 456013900 /nfs/dbraw/zinc/01/39/00/456013900.db2.gz KSYSOSBDPIMHFC-VQIMIIECSA-N 2 1 340.467 3.401 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000286299352 456019190 /nfs/dbraw/zinc/01/91/90/456019190.db2.gz WOZLGXGQHYGNLS-MHTWAQMVSA-N 2 1 328.500 3.303 20 0 EGADMP COc1c(C)cnc(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000209989647 456020353 /nfs/dbraw/zinc/02/03/53/456020353.db2.gz RTMCVRCWFXUUSL-KRWDZBQOSA-N 2 1 339.483 3.413 20 0 EGADMP COC(=O)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1Cl ZINC000296744609 456026887 /nfs/dbraw/zinc/02/68/87/456026887.db2.gz JZLILWIQOSLUAP-RHSMWYFYSA-N 2 1 336.863 3.043 20 0 EGADMP Cc1nccn1CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272653803 456027425 /nfs/dbraw/zinc/02/74/25/456027425.db2.gz GHUYVYPEYQIHCD-PCCBWWKXSA-N 2 1 338.499 3.082 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272653803 456027427 /nfs/dbraw/zinc/02/74/27/456027427.db2.gz GHUYVYPEYQIHCD-PCCBWWKXSA-N 3 1 338.499 3.082 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272653803 456027429 /nfs/dbraw/zinc/02/74/29/456027429.db2.gz GHUYVYPEYQIHCD-PCCBWWKXSA-N 3 1 338.499 3.082 20 0 EGADMP Cc1ccnc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000286361840 456033069 /nfs/dbraw/zinc/03/30/69/456033069.db2.gz ZTIQQVLDFREFRQ-YLJYHZDGSA-N 2 1 339.483 3.198 20 0 EGADMP Cc1ccnc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000286361840 456033071 /nfs/dbraw/zinc/03/30/71/456033071.db2.gz ZTIQQVLDFREFRQ-YLJYHZDGSA-N 2 1 339.483 3.198 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000270888480 456060190 /nfs/dbraw/zinc/06/01/90/456060190.db2.gz XFKQDYJUJRAATB-HOTGVXAUSA-N 2 1 340.254 3.088 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000270888480 456060196 /nfs/dbraw/zinc/06/01/96/456060196.db2.gz XFKQDYJUJRAATB-HOTGVXAUSA-N 2 1 340.254 3.088 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1c(Cl)cccc1-n1ccnc1 ZINC000297280125 456170191 /nfs/dbraw/zinc/17/01/91/456170191.db2.gz LHEUBMSPXSENEC-JKIFEVAISA-N 3 1 332.879 3.344 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000297280125 456170198 /nfs/dbraw/zinc/17/01/98/456170198.db2.gz LHEUBMSPXSENEC-JKIFEVAISA-N 2 1 332.879 3.344 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000297280125 456170205 /nfs/dbraw/zinc/17/02/05/456170205.db2.gz LHEUBMSPXSENEC-JKIFEVAISA-N 2 1 332.879 3.344 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000189004228 456195571 /nfs/dbraw/zinc/19/55/71/456195571.db2.gz VJQBARPVSNQEHD-QGZVFWFLSA-N 2 1 344.478 3.425 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189004228 456195579 /nfs/dbraw/zinc/19/55/79/456195579.db2.gz VJQBARPVSNQEHD-QGZVFWFLSA-N 2 1 344.478 3.425 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189004228 456195587 /nfs/dbraw/zinc/19/55/87/456195587.db2.gz VJQBARPVSNQEHD-QGZVFWFLSA-N 2 1 344.478 3.425 20 0 EGADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000236891831 456198364 /nfs/dbraw/zinc/19/83/64/456198364.db2.gz DPCILXPREVTPHM-FCEWJHQRSA-N 2 1 331.504 3.051 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000301762332 456207949 /nfs/dbraw/zinc/20/79/49/456207949.db2.gz NESUWFXNJLJNAJ-DLBZAZTESA-N 2 1 339.524 3.096 20 0 EGADMP C[N@@H+](CCCNC(=O)CC[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000237066945 456225916 /nfs/dbraw/zinc/22/59/16/456225916.db2.gz LLOHQTHKINQPSD-IBGZPJMESA-N 2 1 331.504 3.237 20 0 EGADMP CCC(CC)(CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@H](C)c1ccccc1 ZINC000297652848 456270690 /nfs/dbraw/zinc/27/06/90/456270690.db2.gz UKOAUSCMXUOVBM-MRXNPFEDSA-N 2 1 342.487 3.217 20 0 EGADMP CCc1c(C)[nH+]c2ccccc2c1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000302035081 456273180 /nfs/dbraw/zinc/27/31/80/456273180.db2.gz LPPAPOJLPJMESA-MRXNPFEDSA-N 2 1 325.456 3.381 20 0 EGADMP CCc1c(C)[nH+]c2ccccc2c1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000302035081 456273182 /nfs/dbraw/zinc/27/31/82/456273182.db2.gz LPPAPOJLPJMESA-MRXNPFEDSA-N 2 1 325.456 3.381 20 0 EGADMP CC(C)[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Nc1ccccc1 ZINC000352766162 456287466 /nfs/dbraw/zinc/28/74/66/456287466.db2.gz LNKSTBRXECMZQX-QGZVFWFLSA-N 2 1 332.517 3.431 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(-c2cccs2)n1 ZINC000342902707 456304313 /nfs/dbraw/zinc/30/43/13/456304313.db2.gz PFHQMGHTULIHKI-MRXNPFEDSA-N 2 1 344.528 3.312 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(-c2cccs2)n1 ZINC000342902707 456304321 /nfs/dbraw/zinc/30/43/21/456304321.db2.gz PFHQMGHTULIHKI-MRXNPFEDSA-N 2 1 344.528 3.312 20 0 EGADMP Cn1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(-c2cccs2)n1 ZINC000342902707 456304325 /nfs/dbraw/zinc/30/43/25/456304325.db2.gz PFHQMGHTULIHKI-MRXNPFEDSA-N 2 1 344.528 3.312 20 0 EGADMP Cn1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(-c2cccs2)n1 ZINC000342902707 456304331 /nfs/dbraw/zinc/30/43/31/456304331.db2.gz PFHQMGHTULIHKI-MRXNPFEDSA-N 2 1 344.528 3.312 20 0 EGADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340247948 456340229 /nfs/dbraw/zinc/34/02/29/456340229.db2.gz SDWGPTLSWWKAHJ-PAXLWEDBSA-N 2 1 340.515 3.393 20 0 EGADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340247948 456340236 /nfs/dbraw/zinc/34/02/36/456340236.db2.gz SDWGPTLSWWKAHJ-PAXLWEDBSA-N 2 1 340.515 3.393 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(Br)o3)C2)CC1 ZINC000290492856 456343505 /nfs/dbraw/zinc/34/35/05/456343505.db2.gz OSHISEKKLBAWAO-CYBMUJFWSA-N 2 1 327.266 3.206 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000340318193 456384541 /nfs/dbraw/zinc/38/45/41/456384541.db2.gz OFOFQXRWFSAXHN-HBMCJLEFSA-N 2 1 342.458 3.154 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000340318193 456384550 /nfs/dbraw/zinc/38/45/50/456384550.db2.gz OFOFQXRWFSAXHN-HBMCJLEFSA-N 2 1 342.458 3.154 20 0 EGADMP FC(F)(F)c1ccc(NCCC[NH2+]C2CC[NH+](C3CC3)CC2)nc1 ZINC000298220353 456395733 /nfs/dbraw/zinc/39/57/33/456395733.db2.gz AJROBWBZDHZFKE-UHFFFAOYSA-N 2 1 342.409 3.119 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000290663607 456399746 /nfs/dbraw/zinc/39/97/46/456399746.db2.gz ZVHHVOLUHKTGDN-UTKZUKDTSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000290663607 456399748 /nfs/dbraw/zinc/39/97/48/456399748.db2.gz ZVHHVOLUHKTGDN-UTKZUKDTSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000290663607 456399754 /nfs/dbraw/zinc/39/97/54/456399754.db2.gz ZVHHVOLUHKTGDN-UTKZUKDTSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000290663607 456399759 /nfs/dbraw/zinc/39/97/59/456399759.db2.gz ZVHHVOLUHKTGDN-UTKZUKDTSA-N 2 1 339.483 3.433 20 0 EGADMP C[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+]2C2CC2)C[C@H]1c1ccccc1 ZINC000340372205 456420032 /nfs/dbraw/zinc/42/00/32/456420032.db2.gz NPBKYGWBQLRGJM-JBACZVJFSA-N 2 1 327.516 3.428 20 0 EGADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)C[C@H]1c1ccccc1 ZINC000340372205 456420040 /nfs/dbraw/zinc/42/00/40/456420040.db2.gz NPBKYGWBQLRGJM-JBACZVJFSA-N 2 1 327.516 3.428 20 0 EGADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+]2C2CC2)C[C@H]1c1ccccc1 ZINC000340372205 456420048 /nfs/dbraw/zinc/42/00/48/456420048.db2.gz NPBKYGWBQLRGJM-JBACZVJFSA-N 2 1 327.516 3.428 20 0 EGADMP CCN(CCC[NH+](C)C)C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000276250435 456424849 /nfs/dbraw/zinc/42/48/49/456424849.db2.gz QMFFUIVTWASMMV-UHFFFAOYSA-N 2 1 333.520 3.331 20 0 EGADMP Cc1ccc(CC[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000303766405 456485188 /nfs/dbraw/zinc/48/51/88/456485188.db2.gz MAOLZUWEPJOSKW-KDURUIRLSA-N 2 1 330.516 3.359 20 0 EGADMP CCn1cc(CC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000276340160 456449590 /nfs/dbraw/zinc/44/95/90/456449590.db2.gz TXKARXFMUKKSIQ-NQIIRXRSSA-N 2 1 340.515 3.430 20 0 EGADMP CCn1cc(CC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000276340160 456449595 /nfs/dbraw/zinc/44/95/95/456449595.db2.gz TXKARXFMUKKSIQ-NQIIRXRSSA-N 2 1 340.515 3.430 20 0 EGADMP CCn1cc(CC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000276340160 456449597 /nfs/dbraw/zinc/44/95/97/456449597.db2.gz TXKARXFMUKKSIQ-NQIIRXRSSA-N 2 1 340.515 3.430 20 0 EGADMP CCn1cc(CC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000276340160 456449603 /nfs/dbraw/zinc/44/96/03/456449603.db2.gz TXKARXFMUKKSIQ-NQIIRXRSSA-N 2 1 340.515 3.430 20 0 EGADMP CN(CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000298569641 456492427 /nfs/dbraw/zinc/49/24/27/456492427.db2.gz WWDLHGONMUAPKR-UHFFFAOYSA-N 2 1 338.499 3.162 20 0 EGADMP c1ccc2c(c1)CC[NH+](CCOCC[N@H+]1CCc3ccccc3C1)C2 ZINC000343286501 456509529 /nfs/dbraw/zinc/50/95/29/456509529.db2.gz MSUORUDHFGJNTP-UHFFFAOYSA-N 2 1 336.479 3.120 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000298676387 456513337 /nfs/dbraw/zinc/51/33/37/456513337.db2.gz CEPSMESBPQHNPO-ZDUSSCGKSA-N 2 1 334.851 3.242 20 0 EGADMP Cc1nnc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000282442846 456516497 /nfs/dbraw/zinc/51/64/97/456516497.db2.gz IELHYHBFWGZXMB-JKIFEVAISA-N 2 1 330.501 3.408 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]C2c3ccccc3-c3ccccc32)CC1(C)C ZINC000282498888 456533611 /nfs/dbraw/zinc/53/36/11/456533611.db2.gz XYNTXUGJPBSSBZ-UHFFFAOYSA-N 2 1 335.495 3.372 20 0 EGADMP Cc1c(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cnn1C ZINC000337797906 456553221 /nfs/dbraw/zinc/55/32/21/456553221.db2.gz GUWRKODQQZJWFM-LJQANCHMSA-N 2 1 326.488 3.119 20 0 EGADMP Cc1c(C[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)cnn1C ZINC000337797906 456553231 /nfs/dbraw/zinc/55/32/31/456553231.db2.gz GUWRKODQQZJWFM-LJQANCHMSA-N 2 1 326.488 3.119 20 0 EGADMP CCCCCOc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000340691556 456629574 /nfs/dbraw/zinc/62/95/74/456629574.db2.gz QFBLEDPZPFHGQY-HXUWFJFHSA-N 2 1 332.488 3.450 20 0 EGADMP CCCCCOc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000340691556 456629577 /nfs/dbraw/zinc/62/95/77/456629577.db2.gz QFBLEDPZPFHGQY-HXUWFJFHSA-N 2 1 332.488 3.450 20 0 EGADMP O[C@@H]1CCCC[C@H]1[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000340690929 456629685 /nfs/dbraw/zinc/62/96/85/456629685.db2.gz KTXYPZRXVWADIE-NJYVYQBISA-N 2 1 328.500 3.278 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000340690929 456629692 /nfs/dbraw/zinc/62/96/92/456629692.db2.gz KTXYPZRXVWADIE-NJYVYQBISA-N 2 1 328.500 3.278 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000340690929 456629698 /nfs/dbraw/zinc/62/96/98/456629698.db2.gz KTXYPZRXVWADIE-NJYVYQBISA-N 2 1 328.500 3.278 20 0 EGADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000353312570 456629706 /nfs/dbraw/zinc/62/97/06/456629706.db2.gz IZMKNVNUHJZVDS-UZLBHIALSA-N 2 1 346.515 3.100 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)ccc1OC(F)F ZINC000322428447 456647368 /nfs/dbraw/zinc/64/73/68/456647368.db2.gz NWJWMNRLHHLFBD-ZIAGYGMSSA-N 2 1 328.403 3.246 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)ccc1OC(F)F ZINC000322428447 456647376 /nfs/dbraw/zinc/64/73/76/456647376.db2.gz NWJWMNRLHHLFBD-ZIAGYGMSSA-N 2 1 328.403 3.246 20 0 EGADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000338112304 456664396 /nfs/dbraw/zinc/66/43/96/456664396.db2.gz LBBCFWCLYVOYOY-FGTMMUONSA-N 2 1 345.531 3.406 20 0 EGADMP COc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1OC(F)F ZINC000299350058 456664661 /nfs/dbraw/zinc/66/46/61/456664661.db2.gz RIMBNARLUXPQBF-UHFFFAOYSA-N 2 1 340.414 3.403 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)cc1 ZINC000338179719 456687043 /nfs/dbraw/zinc/68/70/43/456687043.db2.gz DHSQRUVBOWQYTO-IRXDYDNUSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000343530676 456688054 /nfs/dbraw/zinc/68/80/54/456688054.db2.gz CPSVWJIWONQAKR-UHFFFAOYSA-N 2 1 337.533 3.343 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000343563183 456708526 /nfs/dbraw/zinc/70/85/26/456708526.db2.gz GIHMSFBIKKXMSH-OAHLLOKOSA-N 2 1 343.471 3.099 20 0 EGADMP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000353535149 456740334 /nfs/dbraw/zinc/74/03/34/456740334.db2.gz VHZNRWYGONXJRY-SCWSEQNSSA-N 2 1 339.483 3.446 20 0 EGADMP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000353535149 456740335 /nfs/dbraw/zinc/74/03/35/456740335.db2.gz VHZNRWYGONXJRY-SCWSEQNSSA-N 2 1 339.483 3.446 20 0 EGADMP c1cc2c(nc[nH+]c2N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)[nH]1 ZINC000353540478 456744875 /nfs/dbraw/zinc/74/48/75/456744875.db2.gz KBADOGKWRVLZCK-NRFANRHFSA-N 2 1 347.466 3.450 20 0 EGADMP c1cc2c(nc[nH+]c2N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)[nH]1 ZINC000353540478 456744879 /nfs/dbraw/zinc/74/48/79/456744879.db2.gz KBADOGKWRVLZCK-NRFANRHFSA-N 2 1 347.466 3.450 20 0 EGADMP CCc1oc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C(=O)OC ZINC000338948136 456868116 /nfs/dbraw/zinc/86/81/16/456868116.db2.gz MCMNBUZHKFCQFU-KBXCAEBGSA-N 2 1 346.471 3.077 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CC[C@H]3CCC[NH2+]3)cc2)C1 ZINC000292192581 456881185 /nfs/dbraw/zinc/88/11/85/456881185.db2.gz XPIIRKKCJLSOHQ-YLJYHZDGSA-N 2 1 343.515 3.067 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000345142775 456940629 /nfs/dbraw/zinc/94/06/29/456940629.db2.gz ONHPOYQQEHPLGY-UHFFFAOYSA-N 2 1 332.451 3.377 20 0 EGADMP COc1cc2c(c(C[N@H+](C)CCCn3cc[nH+]c3C)c1)O[C@H](C)C2 ZINC000349384488 456959822 /nfs/dbraw/zinc/95/98/22/456959822.db2.gz PFKZBACMOWXGOQ-CQSZACIVSA-N 2 1 329.444 3.046 20 0 EGADMP COc1cc2c(c(C[N@@H+](C)CCCn3cc[nH+]c3C)c1)O[C@H](C)C2 ZINC000349384488 456959824 /nfs/dbraw/zinc/95/98/24/456959824.db2.gz PFKZBACMOWXGOQ-CQSZACIVSA-N 2 1 329.444 3.046 20 0 EGADMP Cc1nn(C)cc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000354044224 457029487 /nfs/dbraw/zinc/02/94/87/457029487.db2.gz HBSZVYHZLAFGQU-UHFFFAOYSA-N 2 1 338.499 3.217 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000358918033 457034780 /nfs/dbraw/zinc/03/47/80/457034780.db2.gz VUIJGRYBRDMENB-LJQANCHMSA-N 2 1 326.488 3.428 20 0 EGADMP c1nn2ccccc2c1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000356529873 457039549 /nfs/dbraw/zinc/03/95/49/457039549.db2.gz QEVABOVMPCGWGO-CTNGQTDRSA-N 2 1 346.478 3.288 20 0 EGADMP c1nn2ccccc2c1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000356529873 457039555 /nfs/dbraw/zinc/03/95/55/457039555.db2.gz QEVABOVMPCGWGO-CTNGQTDRSA-N 2 1 346.478 3.288 20 0 EGADMP c1nn2ccccc2c1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000356529873 457039560 /nfs/dbraw/zinc/03/95/60/457039560.db2.gz QEVABOVMPCGWGO-CTNGQTDRSA-N 2 1 346.478 3.288 20 0 EGADMP c1nn2ccccc2c1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000356529873 457039565 /nfs/dbraw/zinc/03/95/65/457039565.db2.gz QEVABOVMPCGWGO-CTNGQTDRSA-N 2 1 346.478 3.288 20 0 EGADMP [NH3+][C@@H](CC(F)F)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000339354612 457064394 /nfs/dbraw/zinc/06/43/94/457064394.db2.gz ARYDTRUNDYLOPA-AWEZNQCLSA-N 2 1 336.386 3.378 20 0 EGADMP COc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000342094329 457104238 /nfs/dbraw/zinc/10/42/38/457104238.db2.gz FQMJPISMJRJQAY-WBAXXEDZSA-N 2 1 343.496 3.378 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000342094329 457104245 /nfs/dbraw/zinc/10/42/45/457104245.db2.gz FQMJPISMJRJQAY-WBAXXEDZSA-N 2 1 343.496 3.378 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000339425358 457108620 /nfs/dbraw/zinc/10/86/20/457108620.db2.gz UCSZKISRNVIHKZ-AWEZNQCLSA-N 2 1 327.407 3.257 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342112324 457113891 /nfs/dbraw/zinc/11/38/91/457113891.db2.gz VPHYIQTUXTVTMA-UOVPBQLFSA-N 2 1 329.488 3.196 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342112324 457113896 /nfs/dbraw/zinc/11/38/96/457113896.db2.gz VPHYIQTUXTVTMA-UOVPBQLFSA-N 2 1 329.488 3.196 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2nc(-c3ccccc3)no2)C[C@H]1C ZINC000354224085 457140477 /nfs/dbraw/zinc/14/04/77/457140477.db2.gz PYECDBHGZXBPCW-NVXWUHKLSA-N 2 1 328.460 3.084 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2nc(-c3ccccc3)no2)C[C@H]1C ZINC000354224085 457140482 /nfs/dbraw/zinc/14/04/82/457140482.db2.gz PYECDBHGZXBPCW-NVXWUHKLSA-N 2 1 328.460 3.084 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2nc(-c3ccccc3)no2)C[C@H]1C ZINC000354224085 457140486 /nfs/dbraw/zinc/14/04/86/457140486.db2.gz PYECDBHGZXBPCW-NVXWUHKLSA-N 2 1 328.460 3.084 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2nc(-c3ccccc3)no2)C[C@H]1C ZINC000354224085 457140490 /nfs/dbraw/zinc/14/04/90/457140490.db2.gz PYECDBHGZXBPCW-NVXWUHKLSA-N 2 1 328.460 3.084 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)C[NH+](C)C(C)C)cc1 ZINC000356747765 457148133 /nfs/dbraw/zinc/14/81/33/457148133.db2.gz UJRJQTTTWXIMBS-KRWDZBQOSA-N 2 1 333.520 3.377 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000356747765 457148136 /nfs/dbraw/zinc/14/81/36/457148136.db2.gz UJRJQTTTWXIMBS-KRWDZBQOSA-N 2 1 333.520 3.377 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000356747765 457148139 /nfs/dbraw/zinc/14/81/39/457148139.db2.gz UJRJQTTTWXIMBS-KRWDZBQOSA-N 2 1 333.520 3.377 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000356773467 457160819 /nfs/dbraw/zinc/16/08/19/457160819.db2.gz LSLLTOMYBKKPRG-APWZRJJASA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000356773467 457160822 /nfs/dbraw/zinc/16/08/22/457160822.db2.gz LSLLTOMYBKKPRG-APWZRJJASA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000356773467 457160825 /nfs/dbraw/zinc/16/08/25/457160825.db2.gz LSLLTOMYBKKPRG-APWZRJJASA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000356773467 457160828 /nfs/dbraw/zinc/16/08/28/457160828.db2.gz LSLLTOMYBKKPRG-APWZRJJASA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000356773467 457160831 /nfs/dbraw/zinc/16/08/31/457160831.db2.gz LSLLTOMYBKKPRG-APWZRJJASA-N 2 1 349.494 3.025 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000354362491 457186736 /nfs/dbraw/zinc/18/67/36/457186736.db2.gz WTBJRZCMKVSHEB-UXHICEINSA-N 2 1 345.531 3.276 20 0 EGADMP C[C@@H]1C[C@H](N(C)CC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000354400519 457199804 /nfs/dbraw/zinc/19/98/04/457199804.db2.gz PDXRNIUNPRGLOA-TZIWHRDSSA-N 2 1 329.532 3.457 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000347051845 457204568 /nfs/dbraw/zinc/20/45/68/457204568.db2.gz RLWNQJVZPLFNPO-VQIMIIECSA-N 2 1 325.456 3.220 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000360023632 457209358 /nfs/dbraw/zinc/20/93/58/457209358.db2.gz LANBPXAWVSNVTN-RVKKMQEKSA-N 2 1 332.492 3.350 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000360023632 457209361 /nfs/dbraw/zinc/20/93/61/457209361.db2.gz LANBPXAWVSNVTN-RVKKMQEKSA-N 2 1 332.492 3.350 20 0 EGADMP Cn1c2cc(Cl)ccc2nc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347082501 457221236 /nfs/dbraw/zinc/22/12/36/457221236.db2.gz ZHCPVOJIPWOOGB-OAHLLOKOSA-N 2 1 332.879 3.191 20 0 EGADMP CC(C)[N@H+]1CCc2nc(CN3CC[NH2+]CC34CCCCC4)sc2C1 ZINC000347113849 457236903 /nfs/dbraw/zinc/23/69/03/457236903.db2.gz SCXAJDRVMHABLI-UHFFFAOYSA-N 2 1 348.560 3.018 20 0 EGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc3ccc(F)cc3o2)CC1 ZINC000342377655 457267171 /nfs/dbraw/zinc/26/71/71/457267171.db2.gz QSSMELRAVQPBFA-UHFFFAOYSA-N 2 1 349.450 3.290 20 0 EGADMP c1coc([C@@H]2CC[NH+](CCOCC[N@H+]3CC[C@H](c4ccco4)C3)C2)c1 ZINC000363314412 457289680 /nfs/dbraw/zinc/28/96/80/457289680.db2.gz XEQGCIKVNFAPOJ-HDICACEKSA-N 2 1 344.455 3.168 20 0 EGADMP c1coc([C@@H]2CC[N@@H+](CCOCC[NH+]3CC[C@H](c4ccco4)C3)C2)c1 ZINC000363314412 457289687 /nfs/dbraw/zinc/28/96/87/457289687.db2.gz XEQGCIKVNFAPOJ-HDICACEKSA-N 2 1 344.455 3.168 20 0 EGADMP c1coc([C@@H]2CC[N@H+](CCOCC[NH+]3CC[C@H](c4ccco4)C3)C2)c1 ZINC000363314412 457289693 /nfs/dbraw/zinc/28/96/93/457289693.db2.gz XEQGCIKVNFAPOJ-HDICACEKSA-N 2 1 344.455 3.168 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1 ZINC000354717562 457314905 /nfs/dbraw/zinc/31/49/05/457314905.db2.gz MDSRDIBBFXHIJR-FQEVSTJZSA-N 2 1 345.531 3.265 20 0 EGADMP Cc1ncsc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352432758 457362565 /nfs/dbraw/zinc/36/25/65/457362565.db2.gz SMKXOIVAFYDIQB-ZWKOTPCHSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncsc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352432758 457362569 /nfs/dbraw/zinc/36/25/69/457362569.db2.gz SMKXOIVAFYDIQB-ZWKOTPCHSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncsc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352432758 457362575 /nfs/dbraw/zinc/36/25/75/457362575.db2.gz SMKXOIVAFYDIQB-ZWKOTPCHSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncsc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352432758 457362579 /nfs/dbraw/zinc/36/25/79/457362579.db2.gz SMKXOIVAFYDIQB-ZWKOTPCHSA-N 2 1 327.497 3.405 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000342586641 457381902 /nfs/dbraw/zinc/38/19/02/457381902.db2.gz MZBGVDWCDNRBSF-AQNXPRMDSA-N 2 1 343.515 3.030 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363616819 457384030 /nfs/dbraw/zinc/38/40/30/457384030.db2.gz RYFZNCPUJGCEAC-MJGOQNOKSA-N 2 1 342.462 3.345 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363616819 457384034 /nfs/dbraw/zinc/38/40/34/457384034.db2.gz RYFZNCPUJGCEAC-MJGOQNOKSA-N 2 1 342.462 3.345 20 0 EGADMP FC(F)(F)CN1CCC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000373904092 457393268 /nfs/dbraw/zinc/39/32/68/457393268.db2.gz LXLQHELQGZKWRU-QGZVFWFLSA-N 2 1 347.469 3.400 20 0 EGADMP FC(F)(F)CN1CCC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000373904092 457393276 /nfs/dbraw/zinc/39/32/76/457393276.db2.gz LXLQHELQGZKWRU-QGZVFWFLSA-N 2 1 347.469 3.400 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)cc1 ZINC000425059131 457423911 /nfs/dbraw/zinc/42/39/11/457423911.db2.gz QMEWUQLHEYRLIO-VQTJNVASSA-N 2 1 343.515 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000425059131 457423913 /nfs/dbraw/zinc/42/39/13/457423913.db2.gz QMEWUQLHEYRLIO-VQTJNVASSA-N 2 1 343.515 3.085 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccn(-c4ccccc4F)n3)C2)CC1 ZINC000374074517 457471015 /nfs/dbraw/zinc/47/10/15/457471015.db2.gz LDSWKXDAADGAFM-UHFFFAOYSA-N 2 1 342.462 3.319 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347516905 457479110 /nfs/dbraw/zinc/47/91/10/457479110.db2.gz HERGSMXIEWEBGV-BBWFWOEESA-N 2 1 325.541 3.027 20 0 EGADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc2c(c1)C[NH2+]C2 ZINC000347524593 457485416 /nfs/dbraw/zinc/48/54/16/457485416.db2.gz KTKCQSAYOVXAMW-NRFANRHFSA-N 2 1 349.478 3.074 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](CC3CCN(C(=O)C(C)(C)C)CC3)C2)CC1 ZINC000370010215 457501649 /nfs/dbraw/zinc/50/16/49/457501649.db2.gz SGQVXTPCNANUDA-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000401130668 457523773 /nfs/dbraw/zinc/52/37/73/457523773.db2.gz NQDBLWSSNBFNJB-RSRIQPTJSA-N 3 1 327.516 3.017 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000401130668 457523777 /nfs/dbraw/zinc/52/37/77/457523777.db2.gz NQDBLWSSNBFNJB-RSRIQPTJSA-N 3 1 327.516 3.017 20 0 EGADMP Cc1cncc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000402704454 457533582 /nfs/dbraw/zinc/53/35/82/457533582.db2.gz PNXJWQCZWGBXFQ-FQEVSTJZSA-N 2 1 338.499 3.218 20 0 EGADMP Cc1cncc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000402704454 457533588 /nfs/dbraw/zinc/53/35/88/457533588.db2.gz PNXJWQCZWGBXFQ-FQEVSTJZSA-N 2 1 338.499 3.218 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]C2CC(c3cccc(Cl)c3)C2)CC1(C)C ZINC000374232813 457535716 /nfs/dbraw/zinc/53/57/16/457535716.db2.gz XOMOGOWKOGVTIX-UHFFFAOYSA-N 2 1 335.923 3.202 20 0 EGADMP Cc1cc(C)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000374255468 457547251 /nfs/dbraw/zinc/54/72/51/457547251.db2.gz RDCUUFADIQBZMU-CTNGQTDRSA-N 2 1 329.532 3.070 20 0 EGADMP Cc1cc(C)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000374255480 457547962 /nfs/dbraw/zinc/54/79/62/457547962.db2.gz RDCUUFADIQBZMU-FPOVZHCZSA-N 2 1 329.532 3.070 20 0 EGADMP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000356236555 457550145 /nfs/dbraw/zinc/55/01/45/457550145.db2.gz VGPWSTOVIYXIAW-PWIZWCRZSA-N 2 1 339.483 3.097 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)s1 ZINC000352740382 457573154 /nfs/dbraw/zinc/57/31/54/457573154.db2.gz WMALUEVYQXNOJE-RDJZCZTQSA-N 2 1 331.485 3.215 20 0 EGADMP Cc1ccc([C@H](CC(=O)OC(C)C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000361094558 457578844 /nfs/dbraw/zinc/57/88/44/457578844.db2.gz CVPMYCIHYIOJRN-OALUTQOASA-N 2 1 332.488 3.452 20 0 EGADMP Cc1ccc([C@H](CC(=O)OC(C)C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000361094558 457578850 /nfs/dbraw/zinc/57/88/50/457578850.db2.gz CVPMYCIHYIOJRN-OALUTQOASA-N 2 1 332.488 3.452 20 0 EGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3oc(C(=O)OC)cc3c2)CC1 ZINC000357608827 457619427 /nfs/dbraw/zinc/61/94/27/457619427.db2.gz OEFBBRZTHJEDEV-UHFFFAOYSA-N 2 1 330.428 3.136 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3oc(C(=O)OC)cc3c2)CC1 ZINC000357608827 457619431 /nfs/dbraw/zinc/61/94/31/457619431.db2.gz OEFBBRZTHJEDEV-UHFFFAOYSA-N 2 1 330.428 3.136 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000361173384 457629523 /nfs/dbraw/zinc/62/95/23/457629523.db2.gz GRVVUXSMDITDJV-QFBILLFUSA-N 2 1 331.504 3.048 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000374528128 457649867 /nfs/dbraw/zinc/64/98/67/457649867.db2.gz SVPZYJRETMMHLZ-CVAIRZPRSA-N 2 1 341.455 3.169 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](n2cccn2)C1 ZINC000361239740 457663327 /nfs/dbraw/zinc/66/33/27/457663327.db2.gz XPQWIKQXTCUKJJ-IBGZPJMESA-N 2 1 326.488 3.288 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](n2cccn2)C1 ZINC000361239740 457663330 /nfs/dbraw/zinc/66/33/30/457663330.db2.gz XPQWIKQXTCUKJJ-IBGZPJMESA-N 2 1 326.488 3.288 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000361239740 457663332 /nfs/dbraw/zinc/66/33/32/457663332.db2.gz XPQWIKQXTCUKJJ-IBGZPJMESA-N 2 1 326.488 3.288 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000361239740 457663334 /nfs/dbraw/zinc/66/33/34/457663334.db2.gz XPQWIKQXTCUKJJ-IBGZPJMESA-N 2 1 326.488 3.288 20 0 EGADMP COc1sc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000361279286 457677224 /nfs/dbraw/zinc/67/72/24/457677224.db2.gz WCDXQXZLAXFXGB-WDEREUQCSA-N 2 1 345.306 3.236 20 0 EGADMP COc1sc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000361279286 457677226 /nfs/dbraw/zinc/67/72/26/457677226.db2.gz WCDXQXZLAXFXGB-WDEREUQCSA-N 2 1 345.306 3.236 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000370653444 457692029 /nfs/dbraw/zinc/69/20/29/457692029.db2.gz LZIFVBNBSTZBBA-AZUAARDMSA-N 2 1 326.488 3.373 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000358013924 457739815 /nfs/dbraw/zinc/73/98/15/457739815.db2.gz LYNINGOUFQGMGP-UHFFFAOYSA-N 2 1 345.531 3.332 20 0 EGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(OCc4ccccc4F)c3)C[C@@H]2C1 ZINC000425962718 457748837 /nfs/dbraw/zinc/74/88/37/457748837.db2.gz ZGAYSZHAMRLFTB-KDURUIRLSA-N 2 1 340.442 3.398 20 0 EGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(OCc4ccccc4F)c3)C[C@@H]2C1 ZINC000425962718 457748845 /nfs/dbraw/zinc/74/88/45/457748845.db2.gz ZGAYSZHAMRLFTB-KDURUIRLSA-N 2 1 340.442 3.398 20 0 EGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(OCc4ccccc4F)c3)C[C@@H]2C1 ZINC000425962718 457748850 /nfs/dbraw/zinc/74/88/50/457748850.db2.gz ZGAYSZHAMRLFTB-KDURUIRLSA-N 2 1 340.442 3.398 20 0 EGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(OCc4ccccc4F)c3)C[C@@H]2C1 ZINC000425962718 457748855 /nfs/dbraw/zinc/74/88/55/457748855.db2.gz ZGAYSZHAMRLFTB-KDURUIRLSA-N 2 1 340.442 3.398 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccnc(C[NH3+])c2)cc1 ZINC000361611389 457804573 /nfs/dbraw/zinc/80/45/73/457804573.db2.gz RQNNPOSHAMTJDO-OAHLLOKOSA-N 2 1 338.455 3.167 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000361611551 457804930 /nfs/dbraw/zinc/80/49/30/457804930.db2.gz SOODPTZAVDRXEF-HKUYNNGSSA-N 2 1 343.515 3.237 20 0 EGADMP Cc1nnc([C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000411223750 457834356 /nfs/dbraw/zinc/83/43/56/457834356.db2.gz YVMOEFJAKNOSOS-OAHLLOKOSA-N 2 1 327.476 3.018 20 0 EGADMP Cc1nnc([C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000411223750 457834361 /nfs/dbraw/zinc/83/43/61/457834361.db2.gz YVMOEFJAKNOSOS-OAHLLOKOSA-N 2 1 327.476 3.018 20 0 EGADMP CCOc1cc2c(cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)O[C@H](C)C2 ZINC000358232628 457875267 /nfs/dbraw/zinc/87/52/67/457875267.db2.gz MKDCSPVKDJHPNC-OIPACUDHSA-N 2 1 332.488 3.227 20 0 EGADMP CCOc1cc2c(cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)O[C@H](C)C2 ZINC000358232628 457875270 /nfs/dbraw/zinc/87/52/70/457875270.db2.gz MKDCSPVKDJHPNC-OIPACUDHSA-N 2 1 332.488 3.227 20 0 EGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(SC2CCCC2)cc1 ZINC000358259038 457894349 /nfs/dbraw/zinc/89/43/49/457894349.db2.gz UDDBIZQOQGRLQW-BEFAXECRSA-N 2 1 334.529 3.439 20 0 EGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(SC2CCCC2)cc1 ZINC000358259038 457894354 /nfs/dbraw/zinc/89/43/54/457894354.db2.gz UDDBIZQOQGRLQW-BEFAXECRSA-N 2 1 334.529 3.439 20 0 EGADMP CCN(CC)c1ncc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000366950875 457913987 /nfs/dbraw/zinc/91/39/87/457913987.db2.gz HMPCDIYDFFFNQN-UHFFFAOYSA-N 2 1 336.549 3.297 20 0 EGADMP Cc1ccsc1[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361888056 457932371 /nfs/dbraw/zinc/93/23/71/457932371.db2.gz HMAGZWOBRHAWHS-QFBILLFUSA-N 2 1 330.497 3.344 20 0 EGADMP Cc1ccsc1[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361888056 457932380 /nfs/dbraw/zinc/93/23/80/457932380.db2.gz HMAGZWOBRHAWHS-QFBILLFUSA-N 2 1 330.497 3.344 20 0 EGADMP Cc1cccc2ncc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)n21 ZINC000375674216 458016054 /nfs/dbraw/zinc/01/60/54/458016054.db2.gz AHVVPMPOFVJCRI-LJQANCHMSA-N 2 1 334.467 3.254 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000375701211 458028191 /nfs/dbraw/zinc/02/81/91/458028191.db2.gz BGECTSCFJFIYCO-UHFFFAOYSA-N 2 1 339.524 3.194 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000375701211 458028195 /nfs/dbraw/zinc/02/81/95/458028195.db2.gz BGECTSCFJFIYCO-UHFFFAOYSA-N 2 1 339.524 3.194 20 0 EGADMP CCC[C@@H](NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358503865 458042975 /nfs/dbraw/zinc/04/29/75/458042975.db2.gz HDUZJLQHPVDJNI-IEBWSBKVSA-N 2 1 343.515 3.108 20 0 EGADMP Cc1ccc(-c2noc([C@H](C)[N@H+]3CCC4(C3)CC[NH2+]CC4)n2)cc1F ZINC000358505592 458044224 /nfs/dbraw/zinc/04/42/24/458044224.db2.gz KITBUJRQRNKSQA-AWEZNQCLSA-N 2 1 344.434 3.321 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1)C1CC1 ZINC000428148493 458086743 /nfs/dbraw/zinc/08/67/43/458086743.db2.gz XULRZZFTEDAFKI-BEFAXECRSA-N 2 1 329.488 3.013 20 0 EGADMP CCCC[N@@H+](C)CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412109537 458094383 /nfs/dbraw/zinc/09/43/83/458094383.db2.gz PBUXFYGCTZLPRL-UHFFFAOYSA-N 2 1 331.504 3.134 20 0 EGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000375908518 458119003 /nfs/dbraw/zinc/11/90/03/458119003.db2.gz XAAKSAAHTDJEFJ-FQEVSTJZSA-N 2 1 345.531 3.074 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000435371398 458121824 /nfs/dbraw/zinc/12/18/24/458121824.db2.gz MRIIVZCCEUNAEG-QAPCUYQASA-N 2 1 325.456 3.316 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435375733 458124101 /nfs/dbraw/zinc/12/41/01/458124101.db2.gz OEPXPOSCYZOGIY-KRWDZBQOSA-N 2 1 325.456 3.092 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435375733 458124107 /nfs/dbraw/zinc/12/41/07/458124107.db2.gz OEPXPOSCYZOGIY-KRWDZBQOSA-N 2 1 325.456 3.092 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000435373866 458124128 /nfs/dbraw/zinc/12/41/28/458124128.db2.gz VVZMTUKFIBHUPY-SGTLLEGYSA-N 2 1 332.879 3.312 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000435373866 458124133 /nfs/dbraw/zinc/12/41/33/458124133.db2.gz VVZMTUKFIBHUPY-SGTLLEGYSA-N 2 1 332.879 3.312 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435373771 458125079 /nfs/dbraw/zinc/12/50/79/458125079.db2.gz FTYHTXMTJQFEFQ-TZMCWYRMSA-N 2 1 338.377 3.060 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000435377141 458125991 /nfs/dbraw/zinc/12/59/91/458125991.db2.gz YJTFVKZOHZZINK-SJLPKXTDSA-N 2 1 347.466 3.103 20 0 EGADMP c1coc(-c2ncc(CNCc3ccc(-n4ccnc4)nc3)s2)c1 ZINC000369326908 458173332 /nfs/dbraw/zinc/17/33/32/458173332.db2.gz MGGIGOKAHGHSHL-UHFFFAOYSA-N 2 1 337.408 3.274 20 0 EGADMP C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCCCC1 ZINC000358733685 458178486 /nfs/dbraw/zinc/17/84/86/458178486.db2.gz IBVXCABSTUWNCR-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)ccc21 ZINC000412378345 458186041 /nfs/dbraw/zinc/18/60/41/458186041.db2.gz LXSCXSYCRPETBH-HKUYNNGSSA-N 2 1 329.488 3.439 20 0 EGADMP C[NH2+]CCC[N@@H+]1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 ZINC000435873330 458216407 /nfs/dbraw/zinc/21/64/07/458216407.db2.gz UOZDRYPHEYJCED-OAHLLOKOSA-N 2 1 330.472 3.256 20 0 EGADMP C[NH2+]CCC[N@H+]1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 ZINC000435873330 458216414 /nfs/dbraw/zinc/21/64/14/458216414.db2.gz UOZDRYPHEYJCED-OAHLLOKOSA-N 2 1 330.472 3.256 20 0 EGADMP FC(F)(F)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000428886856 458228292 /nfs/dbraw/zinc/22/82/92/458228292.db2.gz JDXPLDRXTMBXEA-GFCCVEGCSA-N 2 1 348.434 3.357 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccccc1C[NH+](C)C ZINC000362526086 458245938 /nfs/dbraw/zinc/24/59/38/458245938.db2.gz PRFWSTSBGALDFT-KRWDZBQOSA-N 2 1 331.504 3.133 20 0 EGADMP C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2cncn2Cc2ccccc2)C[C@@H](C)C1 ZINC000429027444 458261146 /nfs/dbraw/zinc/26/11/46/458261146.db2.gz ZRMMAUPSUJPKOT-DBXWQHBBSA-N 2 1 338.499 3.094 20 0 EGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000372333689 458279989 /nfs/dbraw/zinc/27/99/89/458279989.db2.gz RXCPUMIKQMCDDW-UGKGYDQZSA-N 2 1 343.559 3.343 20 0 EGADMP C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000447387843 458290691 /nfs/dbraw/zinc/29/06/91/458290691.db2.gz UYGORQNRDFYUFZ-IEBWSBKVSA-N 2 1 338.499 3.230 20 0 EGADMP C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000447387843 458290697 /nfs/dbraw/zinc/29/06/97/458290697.db2.gz UYGORQNRDFYUFZ-IEBWSBKVSA-N 2 1 338.499 3.230 20 0 EGADMP C[C@@H]1CN(c2cccc3cnccc32)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000447387843 458290702 /nfs/dbraw/zinc/29/07/02/458290702.db2.gz UYGORQNRDFYUFZ-IEBWSBKVSA-N 2 1 338.499 3.230 20 0 EGADMP C[C@@H]1CN(c2cccc3cnccc32)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000447387843 458290706 /nfs/dbraw/zinc/29/07/06/458290706.db2.gz UYGORQNRDFYUFZ-IEBWSBKVSA-N 2 1 338.499 3.230 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000429247252 458298506 /nfs/dbraw/zinc/29/85/06/458298506.db2.gz QSQLNOKFQXPXCH-KRWDZBQOSA-N 2 1 336.524 3.191 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000429247252 458298508 /nfs/dbraw/zinc/29/85/08/458298508.db2.gz QSQLNOKFQXPXCH-KRWDZBQOSA-N 2 1 336.524 3.191 20 0 EGADMP C[C@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1cccc(Cl)c1 ZINC000372677085 458315413 /nfs/dbraw/zinc/31/54/13/458315413.db2.gz SNBUTHZZNQOXHB-VQIMIIECSA-N 2 1 335.923 3.155 20 0 EGADMP C[C@H](C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1cccc(Cl)c1 ZINC000372677085 458315418 /nfs/dbraw/zinc/31/54/18/458315418.db2.gz SNBUTHZZNQOXHB-VQIMIIECSA-N 2 1 335.923 3.155 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000429392147 458327973 /nfs/dbraw/zinc/32/79/73/458327973.db2.gz DPCIKXOMQJXXAC-QGZVFWFLSA-N 2 1 331.504 3.038 20 0 EGADMP CCOc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc(Cl)c1O ZINC000459354665 458340882 /nfs/dbraw/zinc/34/08/82/458340882.db2.gz JLMKCCWNOMFJHD-GDBMZVCRSA-N 2 1 338.879 3.360 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](CNCc3cnc(C4CC4)nc3)C2)cc1 ZINC000459403075 458359371 /nfs/dbraw/zinc/35/93/71/458359371.db2.gz KNIYILWFYFAREP-GOSISDBHSA-N 2 1 336.483 3.008 20 0 EGADMP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]Cc3cnc(C4CC4)nc3)C2)cc1 ZINC000459403075 458359375 /nfs/dbraw/zinc/35/93/75/458359375.db2.gz KNIYILWFYFAREP-GOSISDBHSA-N 2 1 336.483 3.008 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]Cc3cnc(C4CC4)nc3)C2)cc1 ZINC000459403075 458359380 /nfs/dbraw/zinc/35/93/80/458359380.db2.gz KNIYILWFYFAREP-GOSISDBHSA-N 2 1 336.483 3.008 20 0 EGADMP COc1ccc(C[C@H](C)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000459469174 458382988 /nfs/dbraw/zinc/38/29/88/458382988.db2.gz SHXPQPOJLAOQFR-HNNXBMFYSA-N 2 1 332.488 3.099 20 0 EGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+]C2CC3(CCC3)C2)c1 ZINC000448073122 458387161 /nfs/dbraw/zinc/38/71/61/458387161.db2.gz BJYAOPPGJKGEGL-UHFFFAOYSA-N 2 1 332.488 3.066 20 0 EGADMP COc1ccccc1-n1nccc1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000430030268 458391980 /nfs/dbraw/zinc/39/19/80/458391980.db2.gz ZYQWYBXXYWOGPX-QGZVFWFLSA-N 2 1 342.487 3.093 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[C@H]1CCOC1 ZINC000376835610 458401931 /nfs/dbraw/zinc/40/19/31/458401931.db2.gz DZEYOBQCTSTVFN-DARKYYSBSA-N 2 1 328.500 3.302 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CNCCN1C)c1ccc(Oc2ccccc2)cc1 ZINC000423485126 458441318 /nfs/dbraw/zinc/44/13/18/458441318.db2.gz VEAUNCOPSZISAU-FUHWJXTLSA-N 2 1 325.456 3.033 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CNCCN1C)c1ccc(SC2CCCC2)cc1 ZINC000423485433 458441410 /nfs/dbraw/zinc/44/14/10/458441410.db2.gz ARDQDSWIMDPFHC-RDJZCZTQSA-N 2 1 333.545 3.276 20 0 EGADMP OC1(Cc2ccccc2F)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000373287503 458452216 /nfs/dbraw/zinc/45/22/16/458452216.db2.gz VLPWQNSSUVXCEB-UHFFFAOYSA-N 2 1 334.479 3.071 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCCC[NH2+]C4CC4)[C@H]3C2)cc1 ZINC000423541796 458455343 /nfs/dbraw/zinc/45/53/43/458455343.db2.gz ACADIFOQHCGGST-SESVDKBCSA-N 2 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCC[NH2+]C4CC4)[C@H]3C2)cc1 ZINC000423541796 458455348 /nfs/dbraw/zinc/45/53/48/458455348.db2.gz ACADIFOQHCGGST-SESVDKBCSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCC[NH2+]C4CC4)[C@H]3C2)cc1 ZINC000423541796 458455351 /nfs/dbraw/zinc/45/53/51/458455351.db2.gz ACADIFOQHCGGST-SESVDKBCSA-N 3 1 327.516 3.019 20 0 EGADMP COc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC(F)F ZINC000459722831 458457299 /nfs/dbraw/zinc/45/72/99/458457299.db2.gz CBNSBKMWICYYOF-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP CCc1ccc([C@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000423564058 458457777 /nfs/dbraw/zinc/45/77/77/458457777.db2.gz KXQABEMFHOYEDW-KRWDZBQOSA-N 2 1 341.499 3.486 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459727987 458458994 /nfs/dbraw/zinc/45/89/94/458458994.db2.gz CIHAXRDVMRGMEW-CQSZACIVSA-N 2 1 332.517 3.403 20 0 EGADMP COc1ccc(OC(F)F)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459739431 458464940 /nfs/dbraw/zinc/46/49/40/458464940.db2.gz SORKQELWQLZIFH-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000430578784 458465304 /nfs/dbraw/zinc/46/53/04/458465304.db2.gz XPJMDYKHHPWLHS-APWZRJJASA-N 2 1 325.456 3.220 20 0 EGADMP COc1cc(CNCc2cnc3n2CCCC3)ccc1OC(C)C ZINC000377118273 458467184 /nfs/dbraw/zinc/46/71/84/458467184.db2.gz ZNJAKWYFLVGBPC-UHFFFAOYSA-N 2 1 329.444 3.305 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000430597634 458469712 /nfs/dbraw/zinc/46/97/12/458469712.db2.gz MCWNZCLXUMIZSY-SFHVURJKSA-N 2 1 327.472 3.474 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430602656 458470688 /nfs/dbraw/zinc/47/06/88/458470688.db2.gz HNWIZAQRRLSOBH-MRXNPFEDSA-N 2 1 325.456 3.100 20 0 EGADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459798434 458481672 /nfs/dbraw/zinc/48/16/72/458481672.db2.gz XUOFEYMZAHEIPX-LSDHHAIUSA-N 2 1 337.895 3.379 20 0 EGADMP CCN(C(=O)[C@H]1CC[NH2+][C@@H](C)C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000373507909 458513353 /nfs/dbraw/zinc/51/33/53/458513353.db2.gz CUXRDNGOCCSQFU-ZULIPRJHSA-N 2 1 343.515 3.059 20 0 EGADMP CC[N@H+](C)Cc1cccc(CNc2[nH+]c3ccc(F)cc3n2C)c1 ZINC000431024261 458518639 /nfs/dbraw/zinc/51/86/39/458518639.db2.gz VDVDMGITGGTMAG-UHFFFAOYSA-N 2 1 326.419 3.198 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNc2[nH+]c3ccc(F)cc3n2C)c1 ZINC000431024261 458518643 /nfs/dbraw/zinc/51/86/43/458518643.db2.gz VDVDMGITGGTMAG-UHFFFAOYSA-N 2 1 326.419 3.198 20 0 EGADMP CC(C)([NH3+])c1noc(C[N@@H+](CCc2ccccc2)C2CCCC2)n1 ZINC000431074183 458524758 /nfs/dbraw/zinc/52/47/58/458524758.db2.gz QUQBUOJZGQKRQN-UHFFFAOYSA-N 2 1 328.460 3.251 20 0 EGADMP Cc1ccccc1C[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468551148 458526880 /nfs/dbraw/zinc/52/68/80/458526880.db2.gz BZYXQEBSLIIGBI-SIKLNZKXSA-N 2 1 338.495 3.153 20 0 EGADMP Cc1ccccc1C[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468551148 458526882 /nfs/dbraw/zinc/52/68/82/458526882.db2.gz BZYXQEBSLIIGBI-SIKLNZKXSA-N 2 1 338.495 3.153 20 0 EGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)N1CCc2ccccc2C1 ZINC000468848260 458539173 /nfs/dbraw/zinc/53/91/73/458539173.db2.gz FJDYRWMWCRPBGM-DUXKGJEZSA-N 2 1 329.532 3.143 20 0 EGADMP CC[C@H](CN[C@@H]1CC[N@H+](CC)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000468848260 458539177 /nfs/dbraw/zinc/53/91/77/458539177.db2.gz FJDYRWMWCRPBGM-DUXKGJEZSA-N 2 1 329.532 3.143 20 0 EGADMP CC[C@H](CN[C@@H]1CC[N@@H+](CC)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000468848260 458539182 /nfs/dbraw/zinc/53/91/82/458539182.db2.gz FJDYRWMWCRPBGM-DUXKGJEZSA-N 2 1 329.532 3.143 20 0 EGADMP CC[C@H](CN[C@@H]1CC[NH+](CC)C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000468848260 458539186 /nfs/dbraw/zinc/53/91/86/458539186.db2.gz FJDYRWMWCRPBGM-DUXKGJEZSA-N 2 1 329.532 3.143 20 0 EGADMP CC[C@H](CN[C@@H]1CC[NH+](CC)C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000468848260 458539188 /nfs/dbraw/zinc/53/91/88/458539188.db2.gz FJDYRWMWCRPBGM-DUXKGJEZSA-N 2 1 329.532 3.143 20 0 EGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC(C)(C)CC[NH3+])c1 ZINC000424048325 458544666 /nfs/dbraw/zinc/54/46/66/458544666.db2.gz QSVYKCGPNQOUCV-UHFFFAOYSA-N 2 1 339.483 3.176 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc1)C1CC1 ZINC000424082723 458554638 /nfs/dbraw/zinc/55/46/38/458554638.db2.gz WQMNSQPDTWJJBR-LJQANCHMSA-N 2 1 349.478 3.201 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc4ccccc43)C2)CC1 ZINC000377906204 458570115 /nfs/dbraw/zinc/57/01/15/458570115.db2.gz JEEFQOFSJCXRHX-NRFANRHFSA-N 2 1 337.511 3.440 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424149259 458571317 /nfs/dbraw/zinc/57/13/17/458571317.db2.gz WCOUWJNSVLUUBX-UXHICEINSA-N 2 1 349.563 3.255 20 0 EGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438561344 458598062 /nfs/dbraw/zinc/59/80/62/458598062.db2.gz KQIVQMQQFWLJCA-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CCc3ccccc3OC1)C2 ZINC000493924310 458600977 /nfs/dbraw/zinc/60/09/77/458600977.db2.gz HMQJSXQETIKHJH-NRFANRHFSA-N 2 1 336.479 3.418 20 0 EGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CCc3ccccc3OC1)C2 ZINC000493924310 458600984 /nfs/dbraw/zinc/60/09/84/458600984.db2.gz HMQJSXQETIKHJH-NRFANRHFSA-N 2 1 336.479 3.418 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000469979802 458604644 /nfs/dbraw/zinc/60/46/44/458604644.db2.gz ABCKIQVMSZMCKS-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(F)cc(F)c2)C[C@@H]1C ZINC000438821460 458616683 /nfs/dbraw/zinc/61/66/83/458616683.db2.gz SCFPTOPQZUCECF-GUYCJALGSA-N 2 1 339.430 3.098 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cc(F)cc(F)c2)C[C@@H]1C ZINC000438821460 458616690 /nfs/dbraw/zinc/61/66/90/458616690.db2.gz SCFPTOPQZUCECF-GUYCJALGSA-N 2 1 339.430 3.098 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc(F)cc(F)c2)C[C@@H]1C ZINC000438821460 458616694 /nfs/dbraw/zinc/61/66/94/458616694.db2.gz SCFPTOPQZUCECF-GUYCJALGSA-N 2 1 339.430 3.098 20 0 EGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CCN(c4cccc(C)[nH+]4)CC3)C[C@H]2C1 ZINC000424325615 458616696 /nfs/dbraw/zinc/61/66/96/458616696.db2.gz XTHHNSKZAHGMNI-AYMGRPCJSA-N 2 1 329.488 3.152 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[NH+]1CCCCCC1 ZINC000494068104 458624253 /nfs/dbraw/zinc/62/42/53/458624253.db2.gz DZEXETICKANAQR-GGPKGHCWSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470790161 458653150 /nfs/dbraw/zinc/65/31/50/458653150.db2.gz QEUAUOOOACHWDT-SIKLNZKXSA-N 2 1 340.511 3.407 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470790161 458653156 /nfs/dbraw/zinc/65/31/56/458653156.db2.gz QEUAUOOOACHWDT-SIKLNZKXSA-N 2 1 340.511 3.407 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470790161 458653160 /nfs/dbraw/zinc/65/31/60/458653160.db2.gz QEUAUOOOACHWDT-SIKLNZKXSA-N 2 1 340.511 3.407 20 0 EGADMP OCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000471576643 458699513 /nfs/dbraw/zinc/69/95/13/458699513.db2.gz DIUGTQPXNFOFKO-QHAWAJNXSA-N 2 1 342.527 3.429 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cncc(F)c3)CC2)cs1 ZINC000494603231 458709482 /nfs/dbraw/zinc/70/94/82/458709482.db2.gz LXYMUDRZYYKTEP-UHFFFAOYSA-N 2 1 348.491 3.241 20 0 EGADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3cccc(Cl)c3)s2)C1 ZINC000547273406 458714502 /nfs/dbraw/zinc/71/45/02/458714502.db2.gz WJOTYCZWBVVRGM-KRWDZBQOSA-N 2 1 336.888 3.225 20 0 EGADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3cccc(Cl)c3)s2)C1 ZINC000547273406 458714509 /nfs/dbraw/zinc/71/45/09/458714509.db2.gz WJOTYCZWBVVRGM-KRWDZBQOSA-N 2 1 336.888 3.225 20 0 EGADMP c1sc(C2CCCC2)nc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239735 458727774 /nfs/dbraw/zinc/72/77/74/458727774.db2.gz HMHBXFOCOBVOLC-GOSISDBHSA-N 2 1 349.544 3.391 20 0 EGADMP CC(C)(C)c1nc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000530243331 458729070 /nfs/dbraw/zinc/72/90/70/458729070.db2.gz WYLDLSKTWZIHQS-INIZCTEOSA-N 2 1 337.533 3.031 20 0 EGADMP CCc1nc2c(s1)[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)CCC2 ZINC000432423087 458737818 /nfs/dbraw/zinc/73/78/18/458737818.db2.gz WSVVSLLMDJIIDK-GJZGRUSLSA-N 2 1 337.533 3.173 20 0 EGADMP CCc1nc2c(s1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CCC2 ZINC000432423087 458737822 /nfs/dbraw/zinc/73/78/22/458737822.db2.gz WSVVSLLMDJIIDK-GJZGRUSLSA-N 2 1 337.533 3.173 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000530460199 458773289 /nfs/dbraw/zinc/77/32/89/458773289.db2.gz UPSNVEFLJTYUNZ-HNNXBMFYSA-N 2 1 325.334 3.138 20 0 EGADMP C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)([NH+](C)C)C1 ZINC000440114707 458782625 /nfs/dbraw/zinc/78/26/25/458782625.db2.gz YYLNYLYZCVBXIY-KPFFTGBYSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000548064676 458831842 /nfs/dbraw/zinc/83/18/42/458831842.db2.gz XNPSTNSVOSSABI-ROUUACIJSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000548064676 458831848 /nfs/dbraw/zinc/83/18/48/458831848.db2.gz XNPSTNSVOSSABI-ROUUACIJSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000548064676 458831856 /nfs/dbraw/zinc/83/18/56/458831856.db2.gz XNPSTNSVOSSABI-ROUUACIJSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2nc(-c3ccccc3)no2)C[C@@H]1C ZINC000530901692 458842350 /nfs/dbraw/zinc/84/23/50/458842350.db2.gz QJHHTBUXHGNKMV-FUHWJXTLSA-N 2 1 342.487 3.474 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2nc(-c3ccccc3)no2)C[C@@H]1C ZINC000530901692 458842356 /nfs/dbraw/zinc/84/23/56/458842356.db2.gz QJHHTBUXHGNKMV-FUHWJXTLSA-N 2 1 342.487 3.474 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2nc(-c3ccccc3)no2)C[C@@H]1C ZINC000530901692 458842363 /nfs/dbraw/zinc/84/23/63/458842363.db2.gz QJHHTBUXHGNKMV-FUHWJXTLSA-N 2 1 342.487 3.474 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)cc1 ZINC000457104772 458868334 /nfs/dbraw/zinc/86/83/34/458868334.db2.gz BTUSNCCHRWAPGC-FQEVSTJZSA-N 2 1 345.531 3.473 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000457104772 458868338 /nfs/dbraw/zinc/86/83/38/458868338.db2.gz BTUSNCCHRWAPGC-FQEVSTJZSA-N 2 1 345.531 3.473 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000457104772 458868341 /nfs/dbraw/zinc/86/83/41/458868341.db2.gz BTUSNCCHRWAPGC-FQEVSTJZSA-N 2 1 345.531 3.473 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474483629 458888728 /nfs/dbraw/zinc/88/87/28/458888728.db2.gz XWAOEFZOFGUZTP-HZSPNIEDSA-N 2 1 330.925 3.451 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000518792725 458894421 /nfs/dbraw/zinc/89/44/21/458894421.db2.gz QTBBTBACEUVRNY-UHFFFAOYSA-N 2 1 343.515 3.021 20 0 EGADMP C[N@@H+](CCOc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000466716032 458915469 /nfs/dbraw/zinc/91/54/69/458915469.db2.gz KGRZGDDXTXLTBH-CQSZACIVSA-N 2 1 346.393 3.238 20 0 EGADMP C[NH+](CCOc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000466716032 458915472 /nfs/dbraw/zinc/91/54/72/458915472.db2.gz KGRZGDDXTXLTBH-CQSZACIVSA-N 2 1 346.393 3.238 20 0 EGADMP C[NH+](CCOc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000466716032 458915476 /nfs/dbraw/zinc/91/54/76/458915476.db2.gz KGRZGDDXTXLTBH-CQSZACIVSA-N 2 1 346.393 3.238 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1(C)C ZINC000441339857 458923831 /nfs/dbraw/zinc/92/38/31/458923831.db2.gz WKNMPHLICBYYOZ-WOJBJXKFSA-N 2 1 329.532 3.013 20 0 EGADMP FC(F)(F)c1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC000441377347 458930854 /nfs/dbraw/zinc/93/08/54/458930854.db2.gz GHWZCGHVUILQRS-AWEZNQCLSA-N 2 1 338.377 3.040 20 0 EGADMP FC(F)(F)c1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]n1 ZINC000441377347 458930859 /nfs/dbraw/zinc/93/08/59/458930859.db2.gz GHWZCGHVUILQRS-AWEZNQCLSA-N 2 1 338.377 3.040 20 0 EGADMP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000531612375 458945240 /nfs/dbraw/zinc/94/52/40/458945240.db2.gz CMVPEDCDUPIBFA-IBGZPJMESA-N 2 1 330.497 3.092 20 0 EGADMP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000531612375 458945243 /nfs/dbraw/zinc/94/52/43/458945243.db2.gz CMVPEDCDUPIBFA-IBGZPJMESA-N 2 1 330.497 3.092 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000495879755 458990119 /nfs/dbraw/zinc/99/01/19/458990119.db2.gz WJMDGWMZICUPKC-BBWFWOEESA-N 2 1 339.524 3.096 20 0 EGADMP CC[N@H+]1CC[C@H](NCc2ccc(OC(F)F)c(OC)c2)[C@@H](C)C1 ZINC000531945281 459004606 /nfs/dbraw/zinc/00/46/06/459004606.db2.gz USQKBSLGPRFXCG-JSGCOSHPSA-N 2 1 328.403 3.117 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(OC)c2)[C@@H](C)C1 ZINC000531945281 459004611 /nfs/dbraw/zinc/00/46/11/459004611.db2.gz USQKBSLGPRFXCG-JSGCOSHPSA-N 2 1 328.403 3.117 20 0 EGADMP OC1CC(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000556876615 459026151 /nfs/dbraw/zinc/02/61/51/459026151.db2.gz CTYNAVUBSYGLLS-RYTOZCKSSA-N 2 1 342.527 3.428 20 0 EGADMP CN(CCC[N@@H+](C)Cc1cccc(-c2ccccn2)c1)CC[NH+](C)C ZINC000577426376 459030681 /nfs/dbraw/zinc/03/06/81/459030681.db2.gz YBTNAOUHARGXSU-UHFFFAOYSA-N 2 1 340.515 3.064 20 0 EGADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442870963 459048302 /nfs/dbraw/zinc/04/83/02/459048302.db2.gz AOMAIRXJOPSEOC-CQSZACIVSA-N 2 1 338.565 3.252 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000567113945 459048808 /nfs/dbraw/zinc/04/88/08/459048808.db2.gz ZAYPERUCZXUFRZ-YZGWKJHDSA-N 2 1 343.515 3.030 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CC1(C)C ZINC000442878709 459050542 /nfs/dbraw/zinc/05/05/42/459050542.db2.gz ULUJKNJPUXRQQT-WOJBJXKFSA-N 2 1 329.532 3.328 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000496064306 459052410 /nfs/dbraw/zinc/05/24/10/459052410.db2.gz JVSSUUDFZHOSRZ-BRWVUGGUSA-N 2 1 339.524 3.144 20 0 EGADMP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C(C)(C)O ZINC000477868765 459063944 /nfs/dbraw/zinc/06/39/44/459063944.db2.gz VZHDVPNAUKKNLP-WTGUMLROSA-N 2 1 330.516 3.282 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000577638611 459067322 /nfs/dbraw/zinc/06/73/22/459067322.db2.gz VWILQEOXAQCHNZ-KRWDZBQOSA-N 2 1 337.458 3.398 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000577638611 459067327 /nfs/dbraw/zinc/06/73/27/459067327.db2.gz VWILQEOXAQCHNZ-KRWDZBQOSA-N 2 1 337.458 3.398 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C)cc3)CC2)CC1 ZINC000557433159 459072057 /nfs/dbraw/zinc/07/20/57/459072057.db2.gz CMBGZUJUDIJYSL-UHFFFAOYSA-N 2 1 329.488 3.130 20 0 EGADMP Cc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@H](CC[NH3+])C3)n2)cc1F ZINC000443057381 459079057 /nfs/dbraw/zinc/07/90/57/459079057.db2.gz GNMNCKLMIHGMKM-ZIAGYGMSSA-N 2 1 332.423 3.306 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000443056796 459079332 /nfs/dbraw/zinc/07/93/32/459079332.db2.gz DDIIHNJPDQBCQM-INIZCTEOSA-N 2 1 325.456 3.229 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CCCCC[NH2+]2)cc1 ZINC000567390509 459099427 /nfs/dbraw/zinc/09/94/27/459099427.db2.gz CADVFIHDJWPLBI-FXAWDEMLSA-N 2 1 343.515 3.209 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496213870 459111000 /nfs/dbraw/zinc/11/10/00/459111000.db2.gz QNPIHLBIRZJPER-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000496217430 459112474 /nfs/dbraw/zinc/11/24/74/459112474.db2.gz PSAUMABUXZBHOF-BBWFWOEESA-N 2 1 339.524 3.238 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000496217430 459112480 /nfs/dbraw/zinc/11/24/80/459112480.db2.gz PSAUMABUXZBHOF-BBWFWOEESA-N 2 1 339.524 3.238 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000496217430 459112485 /nfs/dbraw/zinc/11/24/85/459112485.db2.gz PSAUMABUXZBHOF-BBWFWOEESA-N 2 1 339.524 3.238 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000577948025 459121872 /nfs/dbraw/zinc/12/18/72/459121872.db2.gz LKTCUEORHWJRKC-GHTZIAJQSA-N 2 1 326.484 3.065 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)Cc3ccsc3)CC2)CC1 ZINC000567604160 459132242 /nfs/dbraw/zinc/13/22/42/459132242.db2.gz OBSZNUHRNSOTJI-QGZVFWFLSA-N 2 1 335.561 3.171 20 0 EGADMP C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000496290730 459138113 /nfs/dbraw/zinc/13/81/13/459138113.db2.gz DQINMFVHZWMHDS-HZPDHXFCSA-N 2 1 339.524 3.144 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000521305600 459139363 /nfs/dbraw/zinc/13/93/63/459139363.db2.gz WRAOZLXLERCSKW-HXUWFJFHSA-N 2 1 337.511 3.497 20 0 EGADMP Cc1cc(C)cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000521332016 459140786 /nfs/dbraw/zinc/14/07/86/459140786.db2.gz WPEJWUNQJAWOBB-LJQANCHMSA-N 2 1 343.540 3.443 20 0 EGADMP O[C@@H](CCc1ccccc1)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567700926 459149558 /nfs/dbraw/zinc/14/95/58/459149558.db2.gz VBNQDUKFHVVPBU-YADHBBJMSA-N 2 1 338.495 3.092 20 0 EGADMP CSCC1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000590645320 459170954 /nfs/dbraw/zinc/17/09/54/459170954.db2.gz QFYTYNZTACCYEW-HTWSVDAQSA-N 2 1 326.550 3.141 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CC2)[C@@H](C)C1 ZINC000480196808 459188462 /nfs/dbraw/zinc/18/84/62/459188462.db2.gz MHNCNSJXNCNDPV-AZUAARDMSA-N 2 1 330.516 3.445 20 0 EGADMP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)N1CCCC1 ZINC000480539569 459203382 /nfs/dbraw/zinc/20/33/82/459203382.db2.gz VRXKTIBTAPIQKL-GHTZIAJQSA-N 2 1 347.547 3.398 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000522646680 459253756 /nfs/dbraw/zinc/25/37/56/459253756.db2.gz MSGCQVXEURJGSH-UHFFFAOYSA-N 2 1 325.541 3.221 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@@H](O)Cc1ccccc1 ZINC000559789025 459277782 /nfs/dbraw/zinc/27/77/82/459277782.db2.gz MSCOKVCSBGMURY-XGARDCMYSA-N 2 1 338.495 3.404 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@@H](O)Cc1ccccc1 ZINC000559789025 459277790 /nfs/dbraw/zinc/27/77/90/459277790.db2.gz MSCOKVCSBGMURY-XGARDCMYSA-N 2 1 338.495 3.404 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2ccccc21 ZINC000482135939 459291623 /nfs/dbraw/zinc/29/16/23/459291623.db2.gz PCHNJGLVHOXYDV-RBUKOAKNSA-N 2 1 343.515 3.066 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)N1CCCCCC1 ZINC000482155437 459294969 /nfs/dbraw/zinc/29/49/69/459294969.db2.gz ZHNQEDVQNICLFV-CEXWTWQISA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1C(C)(C)C ZINC000534351881 459320241 /nfs/dbraw/zinc/32/02/41/459320241.db2.gz HKQLUSYCKBBMMI-DLBZAZTESA-N 2 1 345.531 3.222 20 0 EGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000496792241 459325484 /nfs/dbraw/zinc/32/54/84/459325484.db2.gz POEFAQHGYRQMMC-OAHLLOKOSA-N 2 1 339.524 3.096 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000496792241 459325487 /nfs/dbraw/zinc/32/54/87/459325487.db2.gz POEFAQHGYRQMMC-OAHLLOKOSA-N 2 1 339.524 3.096 20 0 EGADMP COc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c1OC ZINC000582323599 459345182 /nfs/dbraw/zinc/34/51/82/459345182.db2.gz HVWPWQWDLSPCOT-HOTGVXAUSA-N 2 1 334.504 3.470 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000483179171 459348096 /nfs/dbraw/zinc/34/80/96/459348096.db2.gz HWYJTWCPRQUWST-MLGOLLRUSA-N 2 1 343.284 3.451 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000524156194 459349280 /nfs/dbraw/zinc/34/92/80/459349280.db2.gz SZBQEBXGHYXJQG-LMMKCTJWSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)OCC[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000568991131 459378458 /nfs/dbraw/zinc/37/84/58/459378458.db2.gz KOTMXDMRFBNIOZ-WIYYLYMNSA-N 2 1 348.531 3.327 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000497025377 459409771 /nfs/dbraw/zinc/40/97/71/459409771.db2.gz KLTSZGCSOLNWFC-UHFFFAOYSA-N 2 1 341.540 3.390 20 0 EGADMP COCC[NH2+]C1CC[NH+]([C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000569369796 459440654 /nfs/dbraw/zinc/44/06/54/459440654.db2.gz GRVWXCCHEWYDPJ-CYBMUJFWSA-N 2 1 328.403 3.049 20 0 EGADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H](CC(N)=O)c2ccccc2)CC1 ZINC000569516571 459464523 /nfs/dbraw/zinc/46/45/23/459464523.db2.gz KLKHGMPAYAIKIJ-FFZOFVMBSA-N 2 1 343.515 3.236 20 0 EGADMP CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(C[NH+](CC)C(C)C)cc1 ZINC000561614720 459468854 /nfs/dbraw/zinc/46/88/54/459468854.db2.gz IIIDQPONCKBBJS-IBGZPJMESA-N 2 1 331.504 3.083 20 0 EGADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C[NH+](CC)C(C)C)cc1 ZINC000561614720 459468859 /nfs/dbraw/zinc/46/88/59/459468859.db2.gz IIIDQPONCKBBJS-IBGZPJMESA-N 2 1 331.504 3.083 20 0 EGADMP CC[C@H]1C[NH+](C)CCN1C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000561614720 459468864 /nfs/dbraw/zinc/46/88/64/459468864.db2.gz IIIDQPONCKBBJS-IBGZPJMESA-N 2 1 331.504 3.083 20 0 EGADMP CC[C@H]1C[NH+](C)CCN1C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000561614720 459468869 /nfs/dbraw/zinc/46/88/69/459468869.db2.gz IIIDQPONCKBBJS-IBGZPJMESA-N 2 1 331.504 3.083 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497203333 459483514 /nfs/dbraw/zinc/48/35/14/459483514.db2.gz RDDQOXGJCGZNSP-HOTGVXAUSA-N 2 1 339.524 3.096 20 0 EGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000561976700 459499028 /nfs/dbraw/zinc/49/90/28/459499028.db2.gz QBDZOVWPTOFETK-QZTJIDSGSA-N 2 1 334.504 3.345 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](C[C@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000583408265 459532745 /nfs/dbraw/zinc/53/27/45/459532745.db2.gz OVBXGPMCXVCUQM-ICSRJNTNSA-N 2 1 338.536 3.038 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C/C=C/c3ccc(Cl)cc3)C2)CC1 ZINC000526055930 459540543 /nfs/dbraw/zinc/54/05/43/459540543.db2.gz MSKLDCHWAYBDSO-WUUFJKRQSA-N 2 1 347.934 3.454 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CCN(c2[nH+]ccc3ccc(C)cc32)C1 ZINC000583561232 459559615 /nfs/dbraw/zinc/55/96/15/459559615.db2.gz JNGUDZHWPPOAGS-GOSISDBHSA-N 2 1 327.472 3.480 20 0 EGADMP CCC[C@H]1CCCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000583574273 459561354 /nfs/dbraw/zinc/56/13/54/459561354.db2.gz SXXWMKIWFXUTIW-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2ccccc2C)C1 ZINC000583869640 459609569 /nfs/dbraw/zinc/60/95/69/459609569.db2.gz BTTSDZFCAIRTNU-WMZOPIPTSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2ccccc2C)C1 ZINC000583869640 459609573 /nfs/dbraw/zinc/60/95/73/459609573.db2.gz BTTSDZFCAIRTNU-WMZOPIPTSA-N 2 1 331.504 3.012 20 0 EGADMP c1cc2ccc(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)cc2[nH]1 ZINC000527632668 459677195 /nfs/dbraw/zinc/67/71/95/459677195.db2.gz TZHPFSNLRUITQB-UHFFFAOYSA-N 2 1 335.451 3.290 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000501784202 459744021 /nfs/dbraw/zinc/74/40/21/459744021.db2.gz CXESEBBYKSSNAG-RBUKOAKNSA-N 2 1 336.907 3.194 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000501784202 459744029 /nfs/dbraw/zinc/74/40/29/459744029.db2.gz CXESEBBYKSSNAG-RBUKOAKNSA-N 2 1 336.907 3.194 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000501784202 459744034 /nfs/dbraw/zinc/74/40/34/459744034.db2.gz CXESEBBYKSSNAG-RBUKOAKNSA-N 2 1 336.907 3.194 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000566174829 459818621 /nfs/dbraw/zinc/81/86/21/459818621.db2.gz BDFDCVCTUDTKKJ-FCGDIQPGSA-N 2 1 335.536 3.007 20 0 EGADMP CC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000574792268 459873108 /nfs/dbraw/zinc/87/31/08/459873108.db2.gz XZBMHKRCTNIFNN-NCYKPQTJSA-N 2 1 330.516 3.428 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C/C=C/c3c(C)cc(C)cc3C)C2)CC1 ZINC000602467723 459952791 /nfs/dbraw/zinc/95/27/91/459952791.db2.gz YUMRNIHEIQJTOJ-IRUYWQDXSA-N 2 1 341.543 3.337 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C/C=C\c3c(C)cc(C)cc3C)C2)CC1 ZINC000602467724 459953816 /nfs/dbraw/zinc/95/38/16/459953816.db2.gz YUMRNIHEIQJTOJ-IZRJCCQOSA-N 2 1 341.543 3.337 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](C)CC(C)(C)C3)CC2)CC1 ZINC000575760192 459999269 /nfs/dbraw/zinc/99/92/69/459999269.db2.gz HWCSSYZXHGMFAZ-KRWDZBQOSA-N 2 1 349.563 3.077 20 0 EGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000576002451 460050715 /nfs/dbraw/zinc/05/07/15/460050715.db2.gz XRAQYNUQUAEHKX-OAQYLSRUSA-N 2 1 349.478 3.414 20 0 EGADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000576615885 460179408 /nfs/dbraw/zinc/17/94/08/460179408.db2.gz KYBGJICAQWBRQD-HOTGVXAUSA-N 2 1 340.458 3.376 20 0 EGADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000576615885 460179419 /nfs/dbraw/zinc/17/94/19/460179419.db2.gz KYBGJICAQWBRQD-HOTGVXAUSA-N 2 1 340.458 3.376 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC000599310324 460224592 /nfs/dbraw/zinc/22/45/92/460224592.db2.gz QANKFSGZNZOGBX-YLJYHZDGSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC000599310324 460224597 /nfs/dbraw/zinc/22/45/97/460224597.db2.gz QANKFSGZNZOGBX-YLJYHZDGSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC000599310324 460224603 /nfs/dbraw/zinc/22/46/03/460224603.db2.gz QANKFSGZNZOGBX-YLJYHZDGSA-N 2 1 343.515 3.162 20 0 EGADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000599314028 460226621 /nfs/dbraw/zinc/22/66/21/460226621.db2.gz JVFOABUDBLCBIZ-IBGZPJMESA-N 2 1 329.488 3.341 20 0 EGADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000599314028 460226624 /nfs/dbraw/zinc/22/66/24/460226624.db2.gz JVFOABUDBLCBIZ-IBGZPJMESA-N 2 1 329.488 3.341 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)c1C ZINC000600124583 460392703 /nfs/dbraw/zinc/39/27/03/460392703.db2.gz NUDLAHVSTJVCFG-CJNGLKHVSA-N 2 1 335.492 3.113 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)c1C ZINC000600124583 460392707 /nfs/dbraw/zinc/39/27/07/460392707.db2.gz NUDLAHVSTJVCFG-CJNGLKHVSA-N 2 1 335.492 3.113 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c1C ZINC000600124583 460392710 /nfs/dbraw/zinc/39/27/10/460392710.db2.gz NUDLAHVSTJVCFG-CJNGLKHVSA-N 2 1 335.492 3.113 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)c1C ZINC000600124583 460392718 /nfs/dbraw/zinc/39/27/18/460392718.db2.gz NUDLAHVSTJVCFG-CJNGLKHVSA-N 2 1 335.492 3.113 20 0 EGADMP Cc1nn2c(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)c(C(C)C)nc2s1 ZINC000634732972 460497711 /nfs/dbraw/zinc/49/77/11/460497711.db2.gz SRQOJKODAKIPFA-CYBMUJFWSA-N 2 1 335.521 3.090 20 0 EGADMP COc1cccc(SCC[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629561965 460808724 /nfs/dbraw/zinc/80/87/24/460808724.db2.gz KSMHJHNIXGIAMK-DOMZBBRYSA-N 2 1 348.434 3.246 20 0 EGADMP COc1cccc(SCC[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629561965 460808727 /nfs/dbraw/zinc/80/87/27/460808727.db2.gz KSMHJHNIXGIAMK-DOMZBBRYSA-N 2 1 348.434 3.246 20 0 EGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)c1 ZINC000624120190 460868940 /nfs/dbraw/zinc/86/89/40/460868940.db2.gz UGDKPXPLLCQXHA-MSOLQXFVSA-N 2 1 331.504 3.342 20 0 EGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000635651112 460870701 /nfs/dbraw/zinc/87/07/01/460870701.db2.gz HKEMGYUCVVZHJI-UHFFFAOYSA-N 2 1 339.483 3.170 20 0 EGADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000632893296 460872794 /nfs/dbraw/zinc/87/27/94/460872794.db2.gz SQAZMEHTILTWLF-NVXWUHKLSA-N 2 1 344.503 3.405 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cncc(Br)c1 ZINC000624122962 460873315 /nfs/dbraw/zinc/87/33/15/460873315.db2.gz BUUUSYKGVDEINT-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cncc(Br)c1 ZINC000624122962 460873320 /nfs/dbraw/zinc/87/33/20/460873320.db2.gz BUUUSYKGVDEINT-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc[nH]c2=O)CC1 ZINC000624259591 460934319 /nfs/dbraw/zinc/93/43/19/460934319.db2.gz QPOBQQVXRTWFJD-UHFFFAOYSA-N 2 1 325.456 3.320 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[NH+](C)C1CCC1 ZINC000629949316 460971299 /nfs/dbraw/zinc/97/12/99/460971299.db2.gz PRARSLMEAYVPHE-QGZVFWFLSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)C[N@H+](C)C1CCC1 ZINC000629949316 460971306 /nfs/dbraw/zinc/97/13/06/460971306.db2.gz PRARSLMEAYVPHE-QGZVFWFLSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)C[N@@H+](C)C1CCC1 ZINC000629949316 460971309 /nfs/dbraw/zinc/97/13/09/460971309.db2.gz PRARSLMEAYVPHE-QGZVFWFLSA-N 2 1 343.515 3.162 20 0 EGADMP CCC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC(C)C ZINC000621293571 460976789 /nfs/dbraw/zinc/97/67/89/460976789.db2.gz FHNOKEWHYANVCG-UHFFFAOYSA-N 2 1 345.531 3.267 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000608357484 461044432 /nfs/dbraw/zinc/04/44/32/461044432.db2.gz NNDHCRVQFDKSJF-INIZCTEOSA-N 2 1 340.471 3.061 20 0 EGADMP COc1cc(C[NH+](C)C)ccc1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000633375912 461064384 /nfs/dbraw/zinc/06/43/84/461064384.db2.gz JLUSTQMTXXFUBF-UHFFFAOYSA-N 2 1 347.503 3.350 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(-c4cccs4)on3)C2)C1 ZINC000652346583 461143229 /nfs/dbraw/zinc/14/32/29/461143229.db2.gz ASUOLZBMBCJNBH-FMKPAKJESA-N 2 1 347.484 3.121 20 0 EGADMP Cc1ccc(OCCC[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1C ZINC000652348131 461143304 /nfs/dbraw/zinc/14/33/04/461143304.db2.gz VKWQONPWOQKXMA-QKNQBKEWSA-N 2 1 346.515 3.291 20 0 EGADMP Cc1[nH+]ccn1CCCCn1cc(C[N@@H+](C)C2CCCCC2)nn1 ZINC000641150856 461151909 /nfs/dbraw/zinc/15/19/09/461151909.db2.gz YYJZQHIFVMGULJ-UHFFFAOYSA-N 2 1 330.480 3.028 20 0 EGADMP Cc1[nH+]ccn1CCCCn1cc(C[N@H+](C)C2CCCCC2)nn1 ZINC000641150856 461151917 /nfs/dbraw/zinc/15/19/17/461151917.db2.gz YYJZQHIFVMGULJ-UHFFFAOYSA-N 2 1 330.480 3.028 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(-c3cccs3)on2)C1 ZINC000652361713 461154312 /nfs/dbraw/zinc/15/43/12/461154312.db2.gz NCZZHABUBZZORO-BMFZPTHFSA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(-c3cccs3)on2)C1 ZINC000652361713 461154317 /nfs/dbraw/zinc/15/43/17/461154317.db2.gz NCZZHABUBZZORO-BMFZPTHFSA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(-c3cccs3)on2)C1 ZINC000652361715 461155379 /nfs/dbraw/zinc/15/53/79/461155379.db2.gz NCZZHABUBZZORO-KBMXLJTQSA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(-c3cccs3)on2)C1 ZINC000652361715 461155389 /nfs/dbraw/zinc/15/53/89/461155389.db2.gz NCZZHABUBZZORO-KBMXLJTQSA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(-c3ccccc3)on2)C1 ZINC000652363947 461158237 /nfs/dbraw/zinc/15/82/37/461158237.db2.gz SQIOCXLWYIZIHH-KPFFTGBYSA-N 2 1 341.455 3.202 20 0 EGADMP Cc1nnsc1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000662270346 461158764 /nfs/dbraw/zinc/15/87/64/461158764.db2.gz JTIYCFLUXIIANE-IRXDYDNUSA-N 2 1 330.501 3.019 20 0 EGADMP Cc1nnsc1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000662270346 461158772 /nfs/dbraw/zinc/15/87/72/461158772.db2.gz JTIYCFLUXIIANE-IRXDYDNUSA-N 2 1 330.501 3.019 20 0 EGADMP OCC1([NH2+]Cc2cccc(Oc3ccc(Cl)cc3)c2)CC[NH2+]CC1 ZINC000662286542 461165915 /nfs/dbraw/zinc/16/59/15/461165915.db2.gz JYWAQAVZUWDFIF-UHFFFAOYSA-N 2 1 346.858 3.336 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCc3nsc4ccccc43)C2)C1 ZINC000662283649 461166354 /nfs/dbraw/zinc/16/63/54/461166354.db2.gz CIFWRAKTSXQCGC-RKVPGOIHSA-N 2 1 345.512 3.057 20 0 EGADMP CCn1c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)nc2c1cccc2F ZINC000662293755 461173110 /nfs/dbraw/zinc/17/31/10/461173110.db2.gz SXIIHBQNQFYPGT-INIZCTEOSA-N 2 1 344.478 3.407 20 0 EGADMP CC(C)CO[C@@H](C)c1noc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000662312985 461183851 /nfs/dbraw/zinc/18/38/51/461183851.db2.gz IXEHWARIAPOFNO-OWCLPIDISA-N 2 1 338.496 3.143 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3ccnc(C)n3)C2)s1 ZINC000649603455 461211000 /nfs/dbraw/zinc/21/10/00/461211000.db2.gz NOXIVOKHDHCMBD-MRXNPFEDSA-N 2 1 330.501 3.109 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3cc4n(n3)CCC4)C2)s1 ZINC000649603271 461212040 /nfs/dbraw/zinc/21/20/40/461212040.db2.gz DIMHHNFHCGIKSL-MRXNPFEDSA-N 2 1 344.528 3.153 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(=O)[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000638064673 461224372 /nfs/dbraw/zinc/22/43/72/461224372.db2.gz NWIJAMAOXORKKT-APWZRJJASA-N 2 1 325.456 3.272 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(=O)[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000638064673 461224382 /nfs/dbraw/zinc/22/43/82/461224382.db2.gz NWIJAMAOXORKKT-APWZRJJASA-N 2 1 325.456 3.272 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(=O)[nH]c2)CC[NH+]1Cc1ccccc1 ZINC000638064673 461224388 /nfs/dbraw/zinc/22/43/88/461224388.db2.gz NWIJAMAOXORKKT-APWZRJJASA-N 2 1 325.456 3.272 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(=O)[nH]c2)CC[NH+]1Cc1ccccc1 ZINC000638064673 461224395 /nfs/dbraw/zinc/22/43/95/461224395.db2.gz NWIJAMAOXORKKT-APWZRJJASA-N 2 1 325.456 3.272 20 0 EGADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662415418 461235887 /nfs/dbraw/zinc/23/58/87/461235887.db2.gz FRMMJMYFFHGUCZ-XHDPSFHLSA-N 2 1 346.302 3.100 20 0 EGADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662415416 461236293 /nfs/dbraw/zinc/23/62/93/461236293.db2.gz FRMMJMYFFHGUCZ-IAQYHMDHSA-N 2 1 346.302 3.100 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662458946 461251324 /nfs/dbraw/zinc/25/13/24/461251324.db2.gz AOCXGDYUGJRCEJ-SJORKVTESA-N 2 1 341.499 3.016 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638128476 461260228 /nfs/dbraw/zinc/26/02/28/461260228.db2.gz UJZZTDPTNXURKN-YJBOKZPZSA-N 2 1 332.488 3.355 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638128476 461260238 /nfs/dbraw/zinc/26/02/38/461260238.db2.gz UJZZTDPTNXURKN-YJBOKZPZSA-N 2 1 332.488 3.355 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638128476 461260246 /nfs/dbraw/zinc/26/02/46/461260246.db2.gz UJZZTDPTNXURKN-YJBOKZPZSA-N 2 1 332.488 3.355 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638128476 461260255 /nfs/dbraw/zinc/26/02/55/461260255.db2.gz UJZZTDPTNXURKN-YJBOKZPZSA-N 2 1 332.488 3.355 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CC[C@H](C[NH+](C)CC3CC3)C1)CC2 ZINC000638134251 461262461 /nfs/dbraw/zinc/26/24/61/461262461.db2.gz NLDJNTKPJWVSMI-APWZRJJASA-N 2 1 344.499 3.355 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@H+]1CC[C@H](C[NH+](C)CC3CC3)C1)CC2 ZINC000638134251 461262466 /nfs/dbraw/zinc/26/24/66/461262466.db2.gz NLDJNTKPJWVSMI-APWZRJJASA-N 2 1 344.499 3.355 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH+]1CC[C@H](C[N@H+](C)CC3CC3)C1)CC2 ZINC000638134251 461262474 /nfs/dbraw/zinc/26/24/74/461262474.db2.gz NLDJNTKPJWVSMI-APWZRJJASA-N 2 1 344.499 3.355 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH+]1CC[C@H](C[N@@H+](C)CC3CC3)C1)CC2 ZINC000638134251 461262481 /nfs/dbraw/zinc/26/24/81/461262481.db2.gz NLDJNTKPJWVSMI-APWZRJJASA-N 2 1 344.499 3.355 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@@H](C[NH+](C)CC3CC3)C1)CC2 ZINC000638134253 461262948 /nfs/dbraw/zinc/26/29/48/461262948.db2.gz NLDJNTKPJWVSMI-QFBILLFUSA-N 2 1 344.499 3.355 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@@H](C[NH+](C)CC3CC3)C1)CC2 ZINC000638134253 461262953 /nfs/dbraw/zinc/26/29/53/461262953.db2.gz NLDJNTKPJWVSMI-QFBILLFUSA-N 2 1 344.499 3.355 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@@H](C[N@H+](C)CC3CC3)C1)CC2 ZINC000638134253 461262959 /nfs/dbraw/zinc/26/29/59/461262959.db2.gz NLDJNTKPJWVSMI-QFBILLFUSA-N 2 1 344.499 3.355 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@@H](C[N@@H+](C)CC3CC3)C1)CC2 ZINC000638134253 461262963 /nfs/dbraw/zinc/26/29/63/461262963.db2.gz NLDJNTKPJWVSMI-QFBILLFUSA-N 2 1 344.499 3.355 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[C@H]2[NH2+]Cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000662497253 461269998 /nfs/dbraw/zinc/26/99/98/461269998.db2.gz HABRPPVOUCVXQR-LKUPVBHCSA-N 2 1 349.478 3.000 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@H]3[C@@H](CCC[NH+]3C)C1)CC2 ZINC000638178589 461290117 /nfs/dbraw/zinc/29/01/17/461290117.db2.gz ORFAABHEPLWGJV-RYQLBKOJSA-N 2 1 330.472 3.107 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@H]3[C@@H](CCC[N@@H+]3C)C1)CC2 ZINC000638178589 461290124 /nfs/dbraw/zinc/29/01/24/461290124.db2.gz ORFAABHEPLWGJV-RYQLBKOJSA-N 2 1 330.472 3.107 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@H]3[C@@H](CCC[N@H+]3C)C1)CC2 ZINC000638178589 461290131 /nfs/dbraw/zinc/29/01/31/461290131.db2.gz ORFAABHEPLWGJV-RYQLBKOJSA-N 2 1 330.472 3.107 20 0 EGADMP CN(CC(C)(C)[NH3+])C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000662604313 461316190 /nfs/dbraw/zinc/31/61/90/461316190.db2.gz BFTVVVKWZYLLHS-UHFFFAOYSA-N 2 1 339.483 3.128 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000662669471 461342092 /nfs/dbraw/zinc/34/20/92/461342092.db2.gz ZQABAGLUXHOUDM-MJGOQNOKSA-N 2 1 343.515 3.236 20 0 EGADMP c1ccc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H]2CCCO2)cc1 ZINC000655703074 461374534 /nfs/dbraw/zinc/37/45/34/461374534.db2.gz LIPOJXJXSLRWAE-ACRUOGEOSA-N 2 1 344.499 3.140 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CS1 ZINC000638335621 461375264 /nfs/dbraw/zinc/37/52/64/461375264.db2.gz QECGENRIGWMILH-RCJHGTSTSA-N 2 1 334.529 3.279 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1cccc(Cl)c1Cl ZINC000641804022 461380607 /nfs/dbraw/zinc/38/06/07/461380607.db2.gz HEQFQUNDGJIABA-UWJYBYFXSA-N 2 1 330.259 3.036 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000655712576 461381911 /nfs/dbraw/zinc/38/19/11/461381911.db2.gz UTRIVOSCEYLIBT-IAGOWNOFSA-N 2 1 328.435 3.036 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000655712576 461381916 /nfs/dbraw/zinc/38/19/16/461381916.db2.gz UTRIVOSCEYLIBT-IAGOWNOFSA-N 2 1 328.435 3.036 20 0 EGADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccnc1 ZINC000655721167 461389872 /nfs/dbraw/zinc/38/98/72/461389872.db2.gz MGHPHONKXTZTHP-PMACEKPBSA-N 2 1 331.504 3.054 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3nsc4ccccc43)C2)C1 ZINC000641818413 461389889 /nfs/dbraw/zinc/38/98/89/461389889.db2.gz DQJFJUWCGWHNEK-JJRVBVJISA-N 2 1 331.485 3.015 20 0 EGADMP c1cc(OC2CCCC2)ccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655725225 461392616 /nfs/dbraw/zinc/39/26/16/461392616.db2.gz OPQKSHOIXILJPY-IBGZPJMESA-N 2 1 344.499 3.351 20 0 EGADMP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655724961 461393137 /nfs/dbraw/zinc/39/31/37/461393137.db2.gz MGNFWYQGKIDSGA-BHIYHBOVSA-N 2 1 338.536 3.061 20 0 EGADMP CCc1oc2ccccc2c1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668741708 461410099 /nfs/dbraw/zinc/41/00/99/461410099.db2.gz YTIVZPCXKARLNJ-INIZCTEOSA-N 2 1 328.456 3.026 20 0 EGADMP CCc1oc2ccccc2c1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668741708 461410110 /nfs/dbraw/zinc/41/01/10/461410110.db2.gz YTIVZPCXKARLNJ-INIZCTEOSA-N 2 1 328.456 3.026 20 0 EGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)c1 ZINC000638434292 461427523 /nfs/dbraw/zinc/42/75/23/461427523.db2.gz JXDXEUBIHDOTFJ-VQIMIIECSA-N 2 1 331.504 3.064 20 0 EGADMP CC[C@@H](C)[C@H](C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)OC ZINC000638524799 461466895 /nfs/dbraw/zinc/46/68/95/461466895.db2.gz RQLSFZJZBSVGTL-KDOFPFPSSA-N 2 1 337.508 3.154 20 0 EGADMP CO[C@H](C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C1CCCC1 ZINC000638524225 461467327 /nfs/dbraw/zinc/46/73/27/461467327.db2.gz NDSSTNMVPAMNPM-LJQANCHMSA-N 2 1 349.519 3.298 20 0 EGADMP CC(=O)Nc1cccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)c1 ZINC000631035440 461486731 /nfs/dbraw/zinc/48/67/31/461486731.db2.gz JCKJUIJHEXQESZ-UHFFFAOYSA-N 2 1 325.456 3.257 20 0 EGADMP CC(=O)Nc1cccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)c1 ZINC000631035440 461486739 /nfs/dbraw/zinc/48/67/39/461486739.db2.gz JCKJUIJHEXQESZ-UHFFFAOYSA-N 2 1 325.456 3.257 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccncc2Br)C1 ZINC000631042124 461494417 /nfs/dbraw/zinc/49/44/17/461494417.db2.gz GJZIJEAXRPLWCD-CQSZACIVSA-N 2 1 340.309 3.446 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(F)cc1F ZINC000638657681 461519350 /nfs/dbraw/zinc/51/93/50/461519350.db2.gz ORTYGVNAXXGZKB-QGZVFWFLSA-N 2 1 326.431 3.241 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(CO)cc2)[C@H]1c1cccs1 ZINC000638670785 461526182 /nfs/dbraw/zinc/52/61/82/461526182.db2.gz KNBNKSVQCNALPY-MJGOQNOKSA-N 2 1 330.497 3.413 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(CO)cc2)[C@H]1c1cccs1 ZINC000638670785 461526190 /nfs/dbraw/zinc/52/61/90/461526190.db2.gz KNBNKSVQCNALPY-MJGOQNOKSA-N 2 1 330.497 3.413 20 0 EGADMP Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663347692 461578879 /nfs/dbraw/zinc/57/88/79/461578879.db2.gz SLULFNXTNIOHDC-INIZCTEOSA-N 2 1 342.462 3.427 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CCC(=O)N(C)c2ccccc2)C1 ZINC000663357208 461586542 /nfs/dbraw/zinc/58/65/42/461586542.db2.gz FFVWHQXNQDGTHD-GOSISDBHSA-N 2 1 331.504 3.141 20 0 EGADMP C[C@@H]([NH3+])CNc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000643036161 461594771 /nfs/dbraw/zinc/59/47/71/461594771.db2.gz QRHRUBUDOQDMSA-GFCCVEGCSA-N 2 1 341.484 3.179 20 0 EGADMP COc1ccccc1N1CCC([NH2+]CC[N@@H+]2CCCC2(C)C)CC1 ZINC000631156230 461597384 /nfs/dbraw/zinc/59/73/84/461597384.db2.gz YBRHQFPRLFWZGQ-UHFFFAOYSA-N 2 1 331.504 3.128 20 0 EGADMP COc1ccccc1N1CCC([NH2+]CC[N@H+]2CCCC2(C)C)CC1 ZINC000631156230 461597389 /nfs/dbraw/zinc/59/73/89/461597389.db2.gz YBRHQFPRLFWZGQ-UHFFFAOYSA-N 2 1 331.504 3.128 20 0 EGADMP CC(C)n1nccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195669 461636091 /nfs/dbraw/zinc/63/60/91/461636091.db2.gz IVVBQXCWIYBDME-PKOBYXMFSA-N 2 1 326.488 3.322 20 0 EGADMP CC(C)n1nccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195669 461636099 /nfs/dbraw/zinc/63/60/99/461636099.db2.gz IVVBQXCWIYBDME-PKOBYXMFSA-N 2 1 326.488 3.322 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000631197053 461637324 /nfs/dbraw/zinc/63/73/24/461637324.db2.gz WNDOUBFJOJMQKJ-QAPCUYQASA-N 2 1 348.441 3.006 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000631197053 461637330 /nfs/dbraw/zinc/63/73/30/461637330.db2.gz WNDOUBFJOJMQKJ-QAPCUYQASA-N 2 1 348.441 3.006 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000663465385 461654842 /nfs/dbraw/zinc/65/48/42/461654842.db2.gz JQQHWEZZCOHUEJ-LPHOPBHVSA-N 2 1 344.499 3.403 20 0 EGADMP COc1cc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccn1 ZINC000638969810 461662096 /nfs/dbraw/zinc/66/20/96/461662096.db2.gz IUTMFDIXPQEFOO-BQFCYCMXSA-N 2 1 331.504 3.264 20 0 EGADMP c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000643285848 461666327 /nfs/dbraw/zinc/66/63/27/461666327.db2.gz DCGNSFCWDPXFPU-QZTJIDSGSA-N 2 1 336.483 3.316 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000660256355 461669842 /nfs/dbraw/zinc/66/98/42/461669842.db2.gz KSBNRWKBXBYWEA-ILXRZTDVSA-N 2 1 346.437 3.488 20 0 EGADMP C[NH+](C)C1(CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000639085234 461719143 /nfs/dbraw/zinc/71/91/43/461719143.db2.gz DQMJTFJGDRMSNW-AZUAARDMSA-N 2 1 327.516 3.428 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])N1CCCC1 ZINC000643455776 461733657 /nfs/dbraw/zinc/73/36/57/461733657.db2.gz XMMICIOZEKOQLP-FHWLQOOXSA-N 2 1 331.504 3.082 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000647496811 461733913 /nfs/dbraw/zinc/73/39/13/461733913.db2.gz UXZQBOPKLSAUGY-GOEBONIOSA-N 2 1 338.455 3.393 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c(Br)c1 ZINC000643522188 461751738 /nfs/dbraw/zinc/75/17/38/461751738.db2.gz JGVIUZQRCZPQFQ-NWDGAFQWSA-N 2 1 327.266 3.250 20 0 EGADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543094 461756868 /nfs/dbraw/zinc/75/68/68/461756868.db2.gz HNDZCLMHLMXQJQ-IAGOWNOFSA-N 2 1 342.462 3.427 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546151 461758723 /nfs/dbraw/zinc/75/87/23/461758723.db2.gz JQPAKSMPXGQJNY-MISYRCLQSA-N 2 1 327.516 3.161 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546151 461758734 /nfs/dbraw/zinc/75/87/34/461758734.db2.gz JQPAKSMPXGQJNY-MISYRCLQSA-N 2 1 327.516 3.161 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OC ZINC000647544293 461758703 /nfs/dbraw/zinc/75/87/03/461758703.db2.gz ZAQXSSLJXYROIY-QZTJIDSGSA-N 2 1 332.488 3.306 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)CC1 ZINC000669692209 461768503 /nfs/dbraw/zinc/76/85/03/461768503.db2.gz GYMDLUZWMLMGEX-HZPDHXFCSA-N 2 1 335.458 3.065 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](c1nccn1C)C1CC1 ZINC000639172887 461781434 /nfs/dbraw/zinc/78/14/34/461781434.db2.gz QULWAHTYOLRPQZ-IBGZPJMESA-N 2 1 326.488 3.455 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](c1nccn1C)C1CC1 ZINC000639172887 461781442 /nfs/dbraw/zinc/78/14/42/461781442.db2.gz QULWAHTYOLRPQZ-IBGZPJMESA-N 2 1 326.488 3.455 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@]3(C1)CCC[NH+](C)C3)CC2 ZINC000639208617 461803836 /nfs/dbraw/zinc/80/38/36/461803836.db2.gz ZFCGWLYEZRBGFO-YLJYHZDGSA-N 2 1 330.472 3.109 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@]3(C1)CCC[NH+](C)C3)CC2 ZINC000639208617 461803840 /nfs/dbraw/zinc/80/38/40/461803840.db2.gz ZFCGWLYEZRBGFO-YLJYHZDGSA-N 2 1 330.472 3.109 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@]3(C1)CCC[N@H+](C)C3)CC2 ZINC000639208617 461803848 /nfs/dbraw/zinc/80/38/48/461803848.db2.gz ZFCGWLYEZRBGFO-YLJYHZDGSA-N 2 1 330.472 3.109 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@]3(C1)CCC[N@@H+](C)C3)CC2 ZINC000639208617 461803855 /nfs/dbraw/zinc/80/38/55/461803855.db2.gz ZFCGWLYEZRBGFO-YLJYHZDGSA-N 2 1 330.472 3.109 20 0 EGADMP C(=C\C[N@H+]1CC[C@H](c2ccncc2)C1)\C[NH+]1CC[C@H](c2ccncc2)C1 ZINC000653681282 461804131 /nfs/dbraw/zinc/80/41/31/461804131.db2.gz LCYZHJDXGVUJNL-AUSJAXNVSA-N 2 1 348.494 3.312 20 0 EGADMP C[C@@H]1CCC[C@]1(O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639209847 461806068 /nfs/dbraw/zinc/80/60/68/461806068.db2.gz FJCKCPDHBRJKDI-PLWAMTLXSA-N 2 1 328.500 3.495 20 0 EGADMP C[C@@H]1CCC[C@]1(O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639209847 461806074 /nfs/dbraw/zinc/80/60/74/461806074.db2.gz FJCKCPDHBRJKDI-PLWAMTLXSA-N 2 1 328.500 3.495 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)C1 ZINC000647788980 461835311 /nfs/dbraw/zinc/83/53/11/461835311.db2.gz WIAGPFYFIIKBSB-KDXIVRHGSA-N 3 1 341.543 3.396 20 0 EGADMP COc1ccc(C[C@@H]2CCCC[N@@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000653779046 461854439 /nfs/dbraw/zinc/85/44/39/461854439.db2.gz MEJMMMHSHVNOAS-SFHVURJKSA-N 2 1 327.472 3.459 20 0 EGADMP COc1ccc(C[C@@H]2CCCC[N@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000653779046 461854445 /nfs/dbraw/zinc/85/44/45/461854445.db2.gz MEJMMMHSHVNOAS-SFHVURJKSA-N 2 1 327.472 3.459 20 0 EGADMP CSc1ccccc1NC(=O)C[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647872223 461865525 /nfs/dbraw/zinc/86/55/25/461865525.db2.gz IQWYTDAXJCYXOJ-UHFFFAOYSA-N 2 1 335.517 3.059 20 0 EGADMP CC[N@@H+](CCCC1CC[NH2+]CC1)CC(=O)Nc1c(C)cccc1C ZINC000647889407 461871463 /nfs/dbraw/zinc/87/14/63/461871463.db2.gz NKDXBDVDZJTUPA-UHFFFAOYSA-N 2 1 331.504 3.344 20 0 EGADMP CC(C)(C)[C@]1(C[NH2+][C@H]2C[C@@H](CO)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639362688 461885961 /nfs/dbraw/zinc/88/59/61/461885961.db2.gz IOFOBUPFUMJYQL-ZVDOUQERSA-N 2 1 330.516 3.285 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1)c1ccccc1 ZINC000647938465 461896212 /nfs/dbraw/zinc/89/62/12/461896212.db2.gz NVOLAVSFTUHYLX-DKKFBQAASA-N 2 1 331.504 3.092 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1)c1ccccc1 ZINC000647938465 461896215 /nfs/dbraw/zinc/89/62/15/461896215.db2.gz NVOLAVSFTUHYLX-DKKFBQAASA-N 2 1 331.504 3.092 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993759 461902762 /nfs/dbraw/zinc/90/27/62/461902762.db2.gz HIPPQNGFRNRUCG-QGZVFWFLSA-N 2 1 328.435 3.084 20 0 EGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723213 461914719 /nfs/dbraw/zinc/91/47/19/461914719.db2.gz JGWILRXXJJGBPT-QRQLOZEOSA-N 2 1 348.535 3.116 20 0 EGADMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000647975919 461916955 /nfs/dbraw/zinc/91/69/55/461916955.db2.gz HOVTVRFSWXYFSP-HZPDHXFCSA-N 2 1 349.906 3.380 20 0 EGADMP CSc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976621 461918056 /nfs/dbraw/zinc/91/80/56/461918056.db2.gz RDZHNEWGJMXIHJ-HZPDHXFCSA-N 2 1 347.528 3.059 20 0 EGADMP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000647978891 461920354 /nfs/dbraw/zinc/92/03/54/461920354.db2.gz ZWWPOLOTVKQVBW-ZIAGYGMSSA-N 2 1 327.394 3.312 20 0 EGADMP Cc1cc(C)cc(OCCC[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)c1 ZINC000660691359 461926243 /nfs/dbraw/zinc/92/62/43/461926243.db2.gz CTGXABGBCQIFMM-UHFFFAOYSA-N 2 1 348.531 3.145 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCC2CC[NH2+]CC2)C3)cc1 ZINC000650763223 461941446 /nfs/dbraw/zinc/94/14/46/461941446.db2.gz UYEOEXPEDJRWRD-WKCHPHFGSA-N 3 1 327.516 3.161 20 0 EGADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCC2CC[NH2+]CC2)C3)cc1 ZINC000650763223 461941449 /nfs/dbraw/zinc/94/14/49/461941449.db2.gz UYEOEXPEDJRWRD-WKCHPHFGSA-N 2 1 327.516 3.161 20 0 EGADMP Cc1nc(C)c(Br)c(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000664137917 461953736 /nfs/dbraw/zinc/95/37/36/461953736.db2.gz ZIMGEQLZKNFEQO-LBPRGKRZSA-N 2 1 341.297 3.388 20 0 EGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071917 461968264 /nfs/dbraw/zinc/96/82/64/461968264.db2.gz AQMUECUTDDREED-UHFFFAOYSA-N 2 1 342.405 3.310 20 0 EGADMP C[C@H]1OCC[C@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639553588 461985505 /nfs/dbraw/zinc/98/55/05/461985505.db2.gz OQKAWBCSOVQYDS-QUCCMNQESA-N 2 1 328.500 3.400 20 0 EGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657315902 462039729 /nfs/dbraw/zinc/03/97/29/462039729.db2.gz SUUVWMHHMBVDAD-MRXNPFEDSA-N 2 1 329.419 3.444 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657315902 462039732 /nfs/dbraw/zinc/03/97/32/462039732.db2.gz SUUVWMHHMBVDAD-MRXNPFEDSA-N 2 1 329.419 3.444 20 0 EGADMP c1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)n(CC2CC2)n1 ZINC000657334510 462052749 /nfs/dbraw/zinc/05/27/49/462052749.db2.gz CAAHBTVTRVUWRC-HXUWFJFHSA-N 2 1 338.499 3.295 20 0 EGADMP c1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n(CC2CC2)n1 ZINC000657334510 462052752 /nfs/dbraw/zinc/05/27/52/462052752.db2.gz CAAHBTVTRVUWRC-HXUWFJFHSA-N 2 1 338.499 3.295 20 0 EGADMP CCCn1nccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000657337825 462056498 /nfs/dbraw/zinc/05/64/98/462056498.db2.gz CACSJGSOVAOOCC-MRXNPFEDSA-N 2 1 332.517 3.356 20 0 EGADMP CCCn1nccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000657337825 462056500 /nfs/dbraw/zinc/05/65/00/462056500.db2.gz CACSJGSOVAOOCC-MRXNPFEDSA-N 2 1 332.517 3.356 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnn1CC1CC1 ZINC000657386523 462089852 /nfs/dbraw/zinc/08/98/52/462089852.db2.gz HOCNFSHEFFALHJ-DYESRHJHSA-N 2 1 338.499 3.293 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnn1CC1CC1 ZINC000657386523 462089858 /nfs/dbraw/zinc/08/98/58/462089858.db2.gz HOCNFSHEFFALHJ-DYESRHJHSA-N 2 1 338.499 3.293 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)Cc2ccccc2O1 ZINC000644843206 462101975 /nfs/dbraw/zinc/10/19/75/462101975.db2.gz BEGYXJSULGMHSX-QGZVFWFLSA-N 2 1 340.467 3.410 20 0 EGADMP C[C@@H]([NH2+]Cc1ccnn1CC1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657431377 462118632 /nfs/dbraw/zinc/11/86/32/462118632.db2.gz VZPKVYIQZOARQA-YLJYHZDGSA-N 2 1 338.499 3.293 20 0 EGADMP C[C@@H]([NH2+]Cc1ccnn1CC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657431377 462118641 /nfs/dbraw/zinc/11/86/41/462118641.db2.gz VZPKVYIQZOARQA-YLJYHZDGSA-N 2 1 338.499 3.293 20 0 EGADMP CCCc1ccc2[nH+]ccc(N3CCC([N@H+]4CC[C@@H](O)C4)CC3)c2c1 ZINC000664596583 462119266 /nfs/dbraw/zinc/11/92/66/462119266.db2.gz ITZBSBLAQUHXCY-GOSISDBHSA-N 2 1 339.483 3.223 20 0 EGADMP OC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCCC1 ZINC000651228808 462146718 /nfs/dbraw/zinc/14/67/18/462146718.db2.gz DIQDHCMDVXHRRE-VAMGGRTRSA-N 2 1 328.500 3.324 20 0 EGADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(C[NH+]2CCCC2)cc1 ZINC000654307267 462148243 /nfs/dbraw/zinc/14/82/43/462148243.db2.gz QUSGVGXJBACZGV-VQTJNVASSA-N 2 1 341.499 3.029 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000667663402 462197076 /nfs/dbraw/zinc/19/70/76/462197076.db2.gz MQIVCPQJGMYPHR-PKOBYXMFSA-N 2 1 332.488 3.018 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000667663402 462197080 /nfs/dbraw/zinc/19/70/80/462197080.db2.gz MQIVCPQJGMYPHR-PKOBYXMFSA-N 2 1 332.488 3.018 20 0 EGADMP c1ccc(C[NH+]2CCC(N[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)nc1 ZINC000657678509 462227070 /nfs/dbraw/zinc/22/70/70/462227070.db2.gz RWUIMFDBIXEJPC-FQEVSTJZSA-N 2 1 342.531 3.043 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC000648837777 462300545 /nfs/dbraw/zinc/30/05/45/462300545.db2.gz SUPVSMBYJRKDMD-IBGZPJMESA-N 2 1 334.529 3.346 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCCn2nccc21 ZINC000657907748 462314556 /nfs/dbraw/zinc/31/45/56/462314556.db2.gz QYPXQANEHQGAFA-FKPGQJDZSA-N 2 1 338.499 3.464 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCCn2nccc21 ZINC000657907748 462314560 /nfs/dbraw/zinc/31/45/60/462314560.db2.gz QYPXQANEHQGAFA-FKPGQJDZSA-N 2 1 338.499 3.464 20 0 EGADMP COc1ccc(-c2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)on2)cc1 ZINC000665262203 462376169 /nfs/dbraw/zinc/37/61/69/462376169.db2.gz WBUJNFDKIRSYLU-CEXWTWQISA-N 2 1 341.455 3.361 20 0 EGADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000665273044 462378723 /nfs/dbraw/zinc/37/87/23/462378723.db2.gz PHQDXUKFENUGNR-WOZUAGRISA-N 2 1 338.499 3.214 20 0 EGADMP CCCCCOc1ccc([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000665290854 462387758 /nfs/dbraw/zinc/38/77/58/462387758.db2.gz MVJTZCKESSALEC-AWEZNQCLSA-N 2 1 344.459 3.061 20 0 EGADMP COc1ccccc1-c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)on1 ZINC000665299938 462391617 /nfs/dbraw/zinc/39/16/17/462391617.db2.gz VNULKGMFKGJHTB-CGTJXYLNSA-N 2 1 341.455 3.361 20 0 EGADMP CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(OC)c(OC)c(OC)c1 ZINC000652132638 462444922 /nfs/dbraw/zinc/44/49/22/462444922.db2.gz QXBZDAYKWHKINC-OAHLLOKOSA-N 2 1 338.492 3.341 20 0 EGADMP CN(C)c1cc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc[nH+]1 ZINC000640603904 462452881 /nfs/dbraw/zinc/45/28/81/462452881.db2.gz HPDKIQGULDVEEL-UHFFFAOYSA-N 2 1 345.491 3.066 20 0 EGADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000649413600 462503529 /nfs/dbraw/zinc/50/35/29/462503529.db2.gz PLFZVJYNWCLTRB-IAGOWNOFSA-N 2 1 326.488 3.406 20 0 EGADMP CCn1c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc2c1cccc2F ZINC000649417830 462504187 /nfs/dbraw/zinc/50/41/87/462504187.db2.gz KBLRSIKTCCRLCQ-HZPDHXFCSA-N 2 1 344.478 3.407 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000662053214 462513412 /nfs/dbraw/zinc/51/34/12/462513412.db2.gz XSGZYOOPLWIYNJ-AWEZNQCLSA-N 2 1 328.243 3.212 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc1 ZINC000646105864 462518848 /nfs/dbraw/zinc/51/88/48/462518848.db2.gz KCRJWMXKRMEHRG-OXQOHEQNSA-N 2 1 337.467 3.053 20 0 EGADMP C[C@H](CC[NH2+]Cc1cncc(Br)c1)[NH+]1CCCCC1 ZINC000183766773 533941370 /nfs/dbraw/zinc/94/13/70/533941370.db2.gz ZZZBLJWOALKMIQ-CYBMUJFWSA-N 2 1 326.282 3.198 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000173694460 528999910 /nfs/dbraw/zinc/99/99/10/528999910.db2.gz NQVZXKSSKWZGFO-HXUWFJFHSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@H]1Oc2cc([C@@H](C)[NH2+]CCC[NH+](CC)CC)ccc2NC1=O ZINC000191608739 529334750 /nfs/dbraw/zinc/33/47/50/529334750.db2.gz DDCKGOKPCORNRU-RHSMWYFYSA-N 2 1 333.476 3.179 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2C1 ZINC000236817511 535001267 /nfs/dbraw/zinc/00/12/67/535001267.db2.gz NDUPFFIEPDWHIV-ZXFUBFMLSA-N 2 1 327.472 3.271 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2C1 ZINC000236817511 535001270 /nfs/dbraw/zinc/00/12/70/535001270.db2.gz NDUPFFIEPDWHIV-ZXFUBFMLSA-N 2 1 327.472 3.271 20 0 EGADMP CCn1cc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350513371 536052789 /nfs/dbraw/zinc/05/27/89/536052789.db2.gz PFJIZCMIKSKGPX-PMACEKPBSA-N 2 1 326.488 3.075 20 0 EGADMP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1C1CCCCC1 ZINC000090465235 546656846 /nfs/dbraw/zinc/65/68/46/546656846.db2.gz OMOVRSDDHJANBU-FQEVSTJZSA-N 2 1 347.547 3.307 20 0 EGADMP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H]1CCCCO1 ZINC000092428862 546674088 /nfs/dbraw/zinc/67/40/88/546674088.db2.gz GRQQIXXBLXYOHT-HXUWFJFHSA-N 2 1 332.488 3.162 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@@H](c2c(F)cccc2F)N(C)C)CC1 ZINC000120669885 546716375 /nfs/dbraw/zinc/71/63/75/546716375.db2.gz ANMUUHTYIAURLQ-KRWDZBQOSA-N 2 1 325.447 3.032 20 0 EGADMP C[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000157015526 546916592 /nfs/dbraw/zinc/91/65/92/546916592.db2.gz HUVBIHYPBWETEN-CQSZACIVSA-N 2 1 348.516 3.000 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000163270401 546970594 /nfs/dbraw/zinc/97/05/94/546970594.db2.gz VWJMKVORCSLKTL-LVCYWYKZSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000163270401 546970598 /nfs/dbraw/zinc/97/05/98/546970598.db2.gz VWJMKVORCSLKTL-LVCYWYKZSA-N 3 1 329.532 3.359 20 0 EGADMP COc1ccccc1[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCCC1 ZINC000165963013 546985777 /nfs/dbraw/zinc/98/57/77/546985777.db2.gz JMBYSRPTJQBOLI-GGPKGHCWSA-N 2 1 343.515 3.049 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCCC1 ZINC000165963013 546985783 /nfs/dbraw/zinc/98/57/83/546985783.db2.gz JMBYSRPTJQBOLI-GGPKGHCWSA-N 2 1 343.515 3.049 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCCC1 ZINC000165963013 546985787 /nfs/dbraw/zinc/98/57/87/546985787.db2.gz JMBYSRPTJQBOLI-GGPKGHCWSA-N 2 1 343.515 3.049 20 0 EGADMP Fc1ccc(Br)cc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166327652 546987098 /nfs/dbraw/zinc/98/70/98/546987098.db2.gz VTXOZRQWMDEXHQ-LSDHHAIUSA-N 2 1 341.268 3.347 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000178071005 547033294 /nfs/dbraw/zinc/03/32/94/547033294.db2.gz SZTPRZXVLIYSJT-PBHICJAKSA-N 2 1 338.492 3.189 20 0 EGADMP COc1cccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)c1F ZINC000192675470 547203467 /nfs/dbraw/zinc/20/34/67/547203467.db2.gz MKWJAQAZVOWYTC-UHFFFAOYSA-N 2 1 332.419 3.065 20 0 EGADMP CCC[NH+]1CCC(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000310096741 547461893 /nfs/dbraw/zinc/46/18/93/547461893.db2.gz VQPBGWPGZRFRQI-HXUWFJFHSA-N 2 1 329.532 3.363 20 0 EGADMP CCC[NH+]1CCC(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000310096736 547462130 /nfs/dbraw/zinc/46/21/30/547462130.db2.gz VQPBGWPGZRFRQI-FQEVSTJZSA-N 2 1 329.532 3.363 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000339347002 547575271 /nfs/dbraw/zinc/57/52/71/547575271.db2.gz SRQGQYXLNIBFCB-GOSISDBHSA-N 2 1 345.531 3.278 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000339347002 547575275 /nfs/dbraw/zinc/57/52/75/547575275.db2.gz SRQGQYXLNIBFCB-GOSISDBHSA-N 2 1 345.531 3.278 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000339347002 547575279 /nfs/dbraw/zinc/57/52/79/547575279.db2.gz SRQGQYXLNIBFCB-GOSISDBHSA-N 2 1 345.531 3.278 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000398063578 547835907 /nfs/dbraw/zinc/83/59/07/547835907.db2.gz WZFADLRLDDQNLG-AOIWGVFYSA-N 2 1 346.515 3.464 20 0 EGADMP c1ccc(N2CC[NH+](CCC[NH+]3CCC4(CCC4)CC3)CC2)cc1 ZINC000671729857 548346227 /nfs/dbraw/zinc/34/62/27/548346227.db2.gz BHTARIHCQBEIDV-UHFFFAOYSA-N 2 1 327.516 3.465 20 0 EGADMP Cc1ccccc1C[NH+]1CCCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000675489444 548928350 /nfs/dbraw/zinc/92/83/50/548928350.db2.gz XISMMMSLQIKDJU-OAQYLSRUSA-N 2 1 329.532 3.377 20 0 EGADMP Cc1ccccc1C[N@H+]1CCCN(CC[C@H]2CCCC[NH+]2C)CC1 ZINC000675489444 548928352 /nfs/dbraw/zinc/92/83/52/548928352.db2.gz XISMMMSLQIKDJU-OAQYLSRUSA-N 2 1 329.532 3.377 20 0 EGADMP Cc1ccccc1C[N@@H+]1CCCN(CC[C@H]2CCCC[NH+]2C)CC1 ZINC000675489444 548928354 /nfs/dbraw/zinc/92/83/54/548928354.db2.gz XISMMMSLQIKDJU-OAQYLSRUSA-N 2 1 329.532 3.377 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnnn2-c2ccccc2)CC1 ZINC000675889519 548997995 /nfs/dbraw/zinc/99/79/95/548997995.db2.gz JRGOSYAFHBTYDR-UHFFFAOYSA-N 2 1 341.503 3.211 20 0 EGADMP Cc1ccc2ccccc2c1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000675965196 549012415 /nfs/dbraw/zinc/01/24/15/549012415.db2.gz QDPUQJZNWFDGSK-FQEVSTJZSA-N 2 1 337.511 3.360 20 0 EGADMP CC1(C)C[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000677748087 549325191 /nfs/dbraw/zinc/32/51/91/549325191.db2.gz DTWYQXJEBZYXSZ-SLFFLAALSA-N 2 1 327.516 3.256 20 0 EGADMP CC1(C)C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000677748087 549325194 /nfs/dbraw/zinc/32/51/94/549325194.db2.gz DTWYQXJEBZYXSZ-SLFFLAALSA-N 2 1 327.516 3.256 20 0 EGADMP CC1(C)C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000677748087 549325197 /nfs/dbraw/zinc/32/51/97/549325197.db2.gz DTWYQXJEBZYXSZ-SLFFLAALSA-N 2 1 327.516 3.256 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1COc2ccccc2O1 ZINC000678123492 549401605 /nfs/dbraw/zinc/40/16/05/549401605.db2.gz YSIBAYYZBCMOQI-IBGZPJMESA-N 2 1 340.467 3.410 20 0 EGADMP Cc1cccc(C[N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000678314572 549468064 /nfs/dbraw/zinc/46/80/64/549468064.db2.gz JQWAKNVTCVTPHP-UHFFFAOYSA-N 2 1 339.483 3.497 20 0 EGADMP CCCCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1(C)C ZINC000678926391 549595945 /nfs/dbraw/zinc/59/59/45/549595945.db2.gz BBBDQHINHFOLGB-GUDVDZBRSA-N 2 1 338.536 3.203 20 0 EGADMP Cc1ccc(C[NH+]2CCSCC2)cc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000679100000 549635154 /nfs/dbraw/zinc/63/51/54/549635154.db2.gz YDDZIPZNQHKCMT-FUHWJXTLSA-N 2 1 333.545 3.438 20 0 EGADMP C[C@H]1C[C@H](Nc2ccc(CC[NH+]3CCSCC3)cc2)CC[N@H+]1C ZINC000679143687 549643714 /nfs/dbraw/zinc/64/37/14/549643714.db2.gz YPAPBNVTEXOUGC-QFBILLFUSA-N 2 1 333.545 3.173 20 0 EGADMP C[C@H]([NH2+]CC1(O)CCC(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679326569 549688934 /nfs/dbraw/zinc/68/89/34/549688934.db2.gz YEDXQAFVJVMBPN-YWDUDDICSA-N 2 1 330.516 3.428 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(O)cc3)CC2)cs1 ZINC000679393439 549703678 /nfs/dbraw/zinc/70/36/78/549703678.db2.gz AANLUKUYNAZDSF-UHFFFAOYSA-N 2 1 345.512 3.413 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[C@@H]1CCCO1 ZINC000680352970 549854438 /nfs/dbraw/zinc/85/44/38/549854438.db2.gz WKCVQYFDZDXCLV-OSTWSGHESA-N 2 1 328.500 3.444 20 0 EGADMP CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000681755892 550033097 /nfs/dbraw/zinc/03/30/97/550033097.db2.gz ZRCRKDNOKQPJQE-OAQYLSRUSA-N 2 1 346.515 3.146 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc4ccccc4[nH]3)cc2)CC1 ZINC000683926939 550274282 /nfs/dbraw/zinc/27/42/82/550274282.db2.gz BTQSQHJNVKQPET-UHFFFAOYSA-N 2 1 348.494 3.205 20 0 EGADMP Cc1cc(N2CCC([NH2+]Cc3cc4ccccc4[nH]3)CC2)nc(C)[nH+]1 ZINC000683928618 550274955 /nfs/dbraw/zinc/27/49/55/550274955.db2.gz HDBYIOOGBCGZOA-UHFFFAOYSA-N 2 1 335.455 3.333 20 0 EGADMP C[N@H+](Cc1cnc(C2CCC2)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685458033 550419084 /nfs/dbraw/zinc/41/90/84/550419084.db2.gz YJUZMWDIPGUCPR-KRWDZBQOSA-N 2 1 348.560 3.011 20 0 EGADMP C[N@@H+](Cc1cnc(C2CCC2)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685458033 550419086 /nfs/dbraw/zinc/41/90/86/550419086.db2.gz YJUZMWDIPGUCPR-KRWDZBQOSA-N 2 1 348.560 3.011 20 0 EGADMP Cc1cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1Cl ZINC000685457344 550419136 /nfs/dbraw/zinc/41/91/36/550419136.db2.gz BCFRLLPVWVJZBJ-SFHVURJKSA-N 2 1 335.923 3.249 20 0 EGADMP CC1(C)CCc2cc(C[NH2+]CCCC[N@H+]3CCC[C@H]3CO)ccc2O1 ZINC000732229653 575247267 /nfs/dbraw/zinc/24/72/67/575247267.db2.gz TWRLPOUJFCQOFO-IBGZPJMESA-N 2 1 346.515 3.117 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC000733778749 575392385 /nfs/dbraw/zinc/39/23/85/575392385.db2.gz GLBSOFQXHLPFEH-PMACEKPBSA-N 2 1 349.563 3.366 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000741796698 575438737 /nfs/dbraw/zinc/43/87/37/575438737.db2.gz WSCPPIKUCZEUKA-ZACQAIPSSA-N 2 1 339.524 3.048 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000741796698 575438739 /nfs/dbraw/zinc/43/87/39/575438739.db2.gz WSCPPIKUCZEUKA-ZACQAIPSSA-N 2 1 339.524 3.048 20 0 EGADMP Cc1cc2ncn(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c2cc1C ZINC000742169523 576754768 /nfs/dbraw/zinc/75/47/68/576754768.db2.gz RXXLKNLOFSJFTM-SFHVURJKSA-N 2 1 326.488 3.418 20 0 EGADMP Cc1cc2ncn(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c2cc1C ZINC000742169523 576754770 /nfs/dbraw/zinc/75/47/70/576754770.db2.gz RXXLKNLOFSJFTM-SFHVURJKSA-N 2 1 326.488 3.418 20 0 EGADMP CC[N@@H+]1CCC[C@@H]1C[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695193941 1298157665 /nfs/dbraw/zinc/15/76/65/1298157665.db2.gz UJYFJZJYBTZZHR-QGZVFWFLSA-N 2 1 339.524 3.098 20 0 EGADMP CC[N@H+]1CCC[C@@H]1C[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695193941 1298157672 /nfs/dbraw/zinc/15/76/72/1298157672.db2.gz UJYFJZJYBTZZHR-QGZVFWFLSA-N 2 1 339.524 3.098 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000063917695 1292030565 /nfs/dbraw/zinc/03/05/65/1292030565.db2.gz FJJDRBMSAHUYED-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000063917695 1292030576 /nfs/dbraw/zinc/03/05/76/1292030576.db2.gz FJJDRBMSAHUYED-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3-c3ccccc3)CC2)C1 ZINC000827698884 1292357102 /nfs/dbraw/zinc/35/71/02/1292357102.db2.gz CGUIRHXURWEQCF-OAQYLSRUSA-N 2 1 336.479 3.385 20 0 EGADMP Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)s1 ZINC000076400184 1292428144 /nfs/dbraw/zinc/42/81/44/1292428144.db2.gz IXINFAIRRVHBRY-UHFFFAOYSA-N 2 1 329.513 3.094 20 0 EGADMP CC(C)c1noc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000089578588 1292772216 /nfs/dbraw/zinc/77/22/16/1292772216.db2.gz GDVAPQLNPKOFQJ-WMZOPIPTSA-N 2 1 342.487 3.378 20 0 EGADMP CC(C)c1noc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000089578588 1292772222 /nfs/dbraw/zinc/77/22/22/1292772222.db2.gz GDVAPQLNPKOFQJ-WMZOPIPTSA-N 2 1 342.487 3.378 20 0 EGADMP [NH3+]Cc1cccc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)c1 ZINC000831797887 1292919166 /nfs/dbraw/zinc/91/91/66/1292919166.db2.gz AVEXSMMJRSGYNV-UHFFFAOYSA-N 2 1 344.484 3.230 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000105457209 1293036042 /nfs/dbraw/zinc/03/60/42/1293036042.db2.gz GEGPICUDAOCYPA-FPOVZHCZSA-N 2 1 346.515 3.454 20 0 EGADMP CC(=O)N1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000109068625 1293086791 /nfs/dbraw/zinc/08/67/91/1293086791.db2.gz WFFKJEMMOPIWMX-QGZVFWFLSA-N 2 1 343.515 3.019 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)cc2OC(F)F)C1 ZINC000114764705 1293176862 /nfs/dbraw/zinc/17/68/62/1293176862.db2.gz YXDMECFSAATPAY-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)cc2OC(F)F)C1 ZINC000114764705 1293176863 /nfs/dbraw/zinc/17/68/63/1293176863.db2.gz YXDMECFSAATPAY-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C[C@H](C3CC3)CC2=O)CC1 ZINC000134801899 1293781442 /nfs/dbraw/zinc/78/14/42/1293781442.db2.gz RWKCJTVZLURKLA-YLJYHZDGSA-N 2 1 347.547 3.179 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C[C@H](C3CC3)CC2=O)CC1 ZINC000134801899 1293781446 /nfs/dbraw/zinc/78/14/46/1293781446.db2.gz RWKCJTVZLURKLA-YLJYHZDGSA-N 2 1 347.547 3.179 20 0 EGADMP COc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1C[NH+]1CCCCC1 ZINC000182191541 1295026685 /nfs/dbraw/zinc/02/66/85/1295026685.db2.gz QWBKPTXFCNOYNB-KRWDZBQOSA-N 3 1 333.520 3.283 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC[NH2+]CC2CC2)cc1 ZINC000870866037 1296121324 /nfs/dbraw/zinc/12/13/24/1296121324.db2.gz KAJBQIGJJDRDSG-QGZVFWFLSA-N 2 1 343.515 3.067 20 0 EGADMP C[C@H]1C[C@@H](N(C)C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000870891681 1296131659 /nfs/dbraw/zinc/13/16/59/1296131659.db2.gz HPHFZXNGLADZOK-LEAZDLGRSA-N 2 1 343.515 3.015 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(F)c3Br)C[C@@H]21 ZINC000230132042 1296161432 /nfs/dbraw/zinc/16/14/32/1296161432.db2.gz FZCCBDLLRTZYAZ-VHRBIJSZSA-N 2 1 327.241 3.147 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(F)c3Br)C[C@@H]21 ZINC000230132042 1296161435 /nfs/dbraw/zinc/16/14/35/1296161435.db2.gz FZCCBDLLRTZYAZ-VHRBIJSZSA-N 2 1 327.241 3.147 20 0 EGADMP CCOc1cc(C[NH2+]C2CC[NH+](CC)CC2)cc(Cl)c1OC ZINC000236915909 1296211880 /nfs/dbraw/zinc/21/18/80/1296211880.db2.gz NOICNYNAENRPRC-UHFFFAOYSA-N 2 1 326.868 3.321 20 0 EGADMP COc1cc2c(c(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1)O[C@@H](C)C2 ZINC000237179301 1296225315 /nfs/dbraw/zinc/22/53/15/1296225315.db2.gz NEXWUQWEDLPZSI-KSSFIOAISA-N 2 1 334.504 3.475 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000250024402 1296453858 /nfs/dbraw/zinc/45/38/58/1296453858.db2.gz RMNMYDIEPZBVTJ-YSIASYRMSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000250024402 1296453863 /nfs/dbraw/zinc/45/38/63/1296453863.db2.gz RMNMYDIEPZBVTJ-YSIASYRMSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000250024402 1296453865 /nfs/dbraw/zinc/45/38/65/1296453865.db2.gz RMNMYDIEPZBVTJ-YSIASYRMSA-N 2 1 343.515 3.203 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261547217 1296594691 /nfs/dbraw/zinc/59/46/91/1296594691.db2.gz HRTUXZSMUWXCBV-NRSPTQNISA-N 2 1 329.532 3.409 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261547217 1296594699 /nfs/dbraw/zinc/59/46/99/1296594699.db2.gz HRTUXZSMUWXCBV-NRSPTQNISA-N 3 1 329.532 3.409 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261547217 1296594703 /nfs/dbraw/zinc/59/47/03/1296594703.db2.gz HRTUXZSMUWXCBV-NRSPTQNISA-N 3 1 329.532 3.409 20 0 EGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261687960 1296598722 /nfs/dbraw/zinc/59/87/22/1296598722.db2.gz KNLCFWKLLWIVPQ-QUCCMNQESA-N 2 1 340.515 3.429 20 0 EGADMP C[NH2+]CCC1CC[NH+]([C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000262002901 1296614284 /nfs/dbraw/zinc/61/42/84/1296614284.db2.gz QLEZWICJFPDRAU-OAHLLOKOSA-N 2 1 328.460 3.043 20 0 EGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)s2)cc1 ZINC000262075730 1296617144 /nfs/dbraw/zinc/61/71/44/1296617144.db2.gz DFKLPUBPZBKSEY-GOSISDBHSA-N 2 1 341.524 3.203 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1C[NH3+] ZINC000262508632 1296636514 /nfs/dbraw/zinc/63/65/14/1296636514.db2.gz MTQPOQYPUXUQBW-VXGBXAGGSA-N 2 1 344.286 3.239 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccc(O)c1F ZINC000872026029 1296671276 /nfs/dbraw/zinc/67/12/76/1296671276.db2.gz XVYVNRLCGWGXMP-AWEZNQCLSA-N 2 1 332.419 3.323 20 0 EGADMP C[C@H](CC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000263282754 1296673761 /nfs/dbraw/zinc/67/37/61/1296673761.db2.gz SLBMYXCBMZAJFA-HBFSDRIKSA-N 2 1 345.531 3.039 20 0 EGADMP Cc1cc(N2CCC([NH2+]Cc3cccc4ncccc34)CC2)nc(C)[nH+]1 ZINC000873071774 1297260689 /nfs/dbraw/zinc/26/06/89/1297260689.db2.gz LPNNLJAMDVAWOM-UHFFFAOYSA-N 2 1 347.466 3.400 20 0 EGADMP CC(C)(C)[NH2+]CCC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000381179001 1297551579 /nfs/dbraw/zinc/55/15/79/1297551579.db2.gz PVNGHDLDBDSQLX-IBGZPJMESA-N 2 1 345.531 3.183 20 0 EGADMP C[N@H+](CCC[NH3+])Cc1ccc(Br)cc1C(F)(F)F ZINC000382056990 1297557622 /nfs/dbraw/zinc/55/76/22/1297557622.db2.gz AVIZSRGMGVWLMP-UHFFFAOYSA-N 2 1 325.172 3.249 20 0 EGADMP C[N@@H+](CCC[NH3+])Cc1ccc(Br)cc1C(F)(F)F ZINC000382056990 1297557631 /nfs/dbraw/zinc/55/76/31/1297557631.db2.gz AVIZSRGMGVWLMP-UHFFFAOYSA-N 2 1 325.172 3.249 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)CC[N@H+]1C ZINC000401330602 1297739607 /nfs/dbraw/zinc/73/96/07/1297739607.db2.gz POIVXHNNLZLXII-MAUKXSAKSA-N 2 1 347.503 3.284 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405248646 1297764557 /nfs/dbraw/zinc/76/45/57/1297764557.db2.gz IQDUIYOFVVJYRX-CEXWTWQISA-N 2 1 327.516 3.147 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cccnc3CC2)[C@@H](C)C1 ZINC000421829263 1297792945 /nfs/dbraw/zinc/79/29/45/1297792945.db2.gz HHRSJCGXZJRSRZ-SXLOBPIMSA-N 2 1 345.531 3.056 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000693861134 1298153120 /nfs/dbraw/zinc/15/31/20/1298153120.db2.gz HSOQHVSNTCHSFL-BRWVUGGUSA-N 2 1 339.524 3.144 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695206989 1298159259 /nfs/dbraw/zinc/15/92/59/1298159259.db2.gz VJOSTWCZQUEVJB-MRXNPFEDSA-N 2 1 341.540 3.342 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695206989 1298159264 /nfs/dbraw/zinc/15/92/64/1298159264.db2.gz VJOSTWCZQUEVJB-MRXNPFEDSA-N 2 1 341.540 3.342 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000704372614 1298206910 /nfs/dbraw/zinc/20/69/10/1298206910.db2.gz GHVKAGCBZICMHD-ULQDDVLXSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc2c1OCC2 ZINC000708539962 1298242106 /nfs/dbraw/zinc/24/21/06/1298242106.db2.gz FARFQAVZIKOVQE-UWJYYQICSA-N 2 1 336.479 3.479 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc2c1OCC2 ZINC000708539962 1298242118 /nfs/dbraw/zinc/24/21/18/1298242118.db2.gz FARFQAVZIKOVQE-UWJYYQICSA-N 2 1 336.479 3.479 20 0 EGADMP CC1(C)[C@H]([NH2+]C[C@@H]([NH3+])CC(F)(F)F)C[C@H]1OCc1ccccc1 ZINC000717985415 1298305345 /nfs/dbraw/zinc/30/53/45/1298305345.db2.gz CFWDWHKSQVMZHP-RRFJBIMHSA-N 2 1 330.394 3.240 20 0 EGADMP O[C@@H](C[N@H+](CCc1ccccc1F)C1CCCC1)C[NH+]1CCCC1 ZINC000746656819 1298633209 /nfs/dbraw/zinc/63/32/09/1298633209.db2.gz ALLLZKYCFHUGJX-LJQANCHMSA-N 2 1 334.479 3.070 20 0 EGADMP O[C@@H](C[N@@H+](CCc1ccccc1F)C1CCCC1)C[NH+]1CCCC1 ZINC000746656819 1298633218 /nfs/dbraw/zinc/63/32/18/1298633218.db2.gz ALLLZKYCFHUGJX-LJQANCHMSA-N 2 1 334.479 3.070 20 0 EGADMP C[C@@H](CCNc1nc(N2CCCC2)cc[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000747226041 1298745878 /nfs/dbraw/zinc/74/58/78/1298745878.db2.gz LOBZBARVAYGUTH-KRWDZBQOSA-N 2 1 339.487 3.399 20 0 EGADMP C[C@@H](CCNc1nc(N2CCCC2)cc[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000747226041 1298745885 /nfs/dbraw/zinc/74/58/85/1298745885.db2.gz LOBZBARVAYGUTH-KRWDZBQOSA-N 2 1 339.487 3.399 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000876771137 1298974957 /nfs/dbraw/zinc/97/49/57/1298974957.db2.gz NCUGYBRLMAHRNM-MRXNPFEDSA-N 2 1 341.540 3.201 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H]3CC3(Cl)Cl)c2)CCO1 ZINC000876970805 1299095523 /nfs/dbraw/zinc/09/55/23/1299095523.db2.gz ZAOSWKBUBVNFBX-CZUORRHYSA-N 2 1 343.298 3.191 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H]3CC3(Cl)Cl)c2)CCO1 ZINC000876970805 1299095532 /nfs/dbraw/zinc/09/55/32/1299095532.db2.gz ZAOSWKBUBVNFBX-CZUORRHYSA-N 2 1 343.298 3.191 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000749948725 1299307599 /nfs/dbraw/zinc/30/75/99/1299307599.db2.gz AFCIJVDIUQRYML-PMACEKPBSA-N 2 1 343.515 3.319 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000749948725 1299307606 /nfs/dbraw/zinc/30/76/06/1299307606.db2.gz AFCIJVDIUQRYML-PMACEKPBSA-N 2 1 343.515 3.319 20 0 EGADMP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3cccc(CC4CCC4)c3)CC2)C1 ZINC000877640200 1299447725 /nfs/dbraw/zinc/44/77/25/1299447725.db2.gz KPFTWSLJFAPJNX-NRFANRHFSA-N 2 1 328.500 3.060 20 0 EGADMP O[C@H]1CC[N@H+](C2CC[NH+](Cc3cccc(CC4CCC4)c3)CC2)C1 ZINC000877640200 1299447729 /nfs/dbraw/zinc/44/77/29/1299447729.db2.gz KPFTWSLJFAPJNX-NRFANRHFSA-N 2 1 328.500 3.060 20 0 EGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000878126190 1299764227 /nfs/dbraw/zinc/76/42/27/1299764227.db2.gz UKUOWFIBVVSTET-PKOBYXMFSA-N 2 1 331.504 3.010 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000756117451 1300442402 /nfs/dbraw/zinc/44/24/02/1300442402.db2.gz CSCWZXLOOXTQPA-HZPDHXFCSA-N 2 1 348.491 3.391 20 0 EGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1nc(-c3cccs3)no1)CC2 ZINC000879247112 1300451795 /nfs/dbraw/zinc/45/17/95/1300451795.db2.gz NLTMVNUIOBEEDM-UHFFFAOYSA-N 2 1 332.473 3.106 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CCN1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879550716 1300592657 /nfs/dbraw/zinc/59/26/57/1300592657.db2.gz HPUJWKQLKHFZJA-QGZVFWFLSA-N 2 1 332.492 3.391 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879550716 1300592662 /nfs/dbraw/zinc/59/26/62/1300592662.db2.gz HPUJWKQLKHFZJA-QGZVFWFLSA-N 2 1 332.492 3.391 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879550716 1300592667 /nfs/dbraw/zinc/59/26/67/1300592667.db2.gz HPUJWKQLKHFZJA-QGZVFWFLSA-N 2 1 332.492 3.391 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000759046024 1301004305 /nfs/dbraw/zinc/00/43/05/1301004305.db2.gz DNKKQQOIXNYWTR-HACGYAERSA-N 2 1 328.859 3.317 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000759046024 1301004318 /nfs/dbraw/zinc/00/43/18/1301004318.db2.gz DNKKQQOIXNYWTR-HACGYAERSA-N 2 1 328.859 3.317 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000759046024 1301004329 /nfs/dbraw/zinc/00/43/29/1301004329.db2.gz DNKKQQOIXNYWTR-HACGYAERSA-N 2 1 328.859 3.317 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000759046024 1301004343 /nfs/dbraw/zinc/00/43/43/1301004343.db2.gz DNKKQQOIXNYWTR-HACGYAERSA-N 2 1 328.859 3.317 20 0 EGADMP C[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000759154000 1301027509 /nfs/dbraw/zinc/02/75/09/1301027509.db2.gz RDDCECKIFWTURY-WBMJQRKESA-N 2 1 331.287 3.300 20 0 EGADMP C[NH+](C[C@H](O)c1ccc(Cl)cc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000759154000 1301027521 /nfs/dbraw/zinc/02/75/21/1301027521.db2.gz RDDCECKIFWTURY-WBMJQRKESA-N 2 1 331.287 3.300 20 0 EGADMP C[NH+](C[C@H](O)c1ccc(Cl)cc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000759154000 1301027533 /nfs/dbraw/zinc/02/75/33/1301027533.db2.gz RDDCECKIFWTURY-WBMJQRKESA-N 2 1 331.287 3.300 20 0 EGADMP C[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000759154000 1301027498 /nfs/dbraw/zinc/02/74/98/1301027498.db2.gz RDDCECKIFWTURY-WBMJQRKESA-N 2 1 331.287 3.300 20 0 EGADMP CC1([NH+]2CCC2)CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000880474881 1301137837 /nfs/dbraw/zinc/13/78/37/1301137837.db2.gz PLQULANORFAROQ-UHFFFAOYSA-N 2 1 335.879 3.229 20 0 EGADMP COc1cc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC000762652193 1301722908 /nfs/dbraw/zinc/72/29/08/1301722908.db2.gz WQRXZSXTYLIYFQ-ZWKOTPCHSA-N 2 1 334.504 3.464 20 0 EGADMP c1ccc(C[N@@H+]2CCC3(C2)CCN(CC[NH+]2CCCC2)CC3)cc1 ZINC000762928021 1301786962 /nfs/dbraw/zinc/78/69/62/1301786962.db2.gz ZDGFKTYMLRDLLZ-UHFFFAOYSA-N 2 1 327.516 3.070 20 0 EGADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](CCN2CCCC2)CC3)cc1 ZINC000762928021 1301786971 /nfs/dbraw/zinc/78/69/71/1301786971.db2.gz ZDGFKTYMLRDLLZ-UHFFFAOYSA-N 2 1 327.516 3.070 20 0 EGADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CCN2CCCC2)CC3)cc1 ZINC000762928021 1301786977 /nfs/dbraw/zinc/78/69/77/1301786977.db2.gz ZDGFKTYMLRDLLZ-UHFFFAOYSA-N 2 1 327.516 3.070 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000765357485 1302253332 /nfs/dbraw/zinc/25/33/32/1302253332.db2.gz DIHJMLDMVZSLIG-BBWFWOEESA-N 2 1 339.524 3.096 20 0 EGADMP COc1ccc2c(NC[C@H]3C[N@@H+](CC(C)C)CCO3)cc[nH+]c2c1 ZINC000765457008 1302267451 /nfs/dbraw/zinc/26/74/51/1302267451.db2.gz WLRHGICSUFXPNK-INIZCTEOSA-N 2 1 329.444 3.012 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc2c(c1)COC2 ZINC000765973104 1302359753 /nfs/dbraw/zinc/35/97/53/1302359753.db2.gz CMUKQFOPFOGKMJ-FOIQADDNSA-N 2 1 330.472 3.011 20 0 EGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000767925878 1302786658 /nfs/dbraw/zinc/78/66/58/1302786658.db2.gz GJWFLZZOSDWBNZ-LEWJYISDSA-N 2 1 339.483 3.092 20 0 EGADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCc3c4cc(F)ccc4[nH]c32)CC1 ZINC000886511498 1303481399 /nfs/dbraw/zinc/48/13/99/1303481399.db2.gz VLCPDJUKBGKJQK-IBGZPJMESA-N 2 1 345.462 3.121 20 0 EGADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)[C@@H](C)c3ccccc3)CC2)[nH+]c1C ZINC000886661636 1303542985 /nfs/dbraw/zinc/54/29/85/1303542985.db2.gz ZGYLQWIVFOIGBL-IFXJQAMLSA-N 2 1 327.472 3.371 20 0 EGADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)[nH+]c1C ZINC000886662437 1303543738 /nfs/dbraw/zinc/54/37/38/1303543738.db2.gz DMNNLATVBQKAHG-LJQANCHMSA-N 2 1 327.472 3.200 20 0 EGADMP Cc1[nH]c(C2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)[nH+]c1C ZINC000886665707 1303545046 /nfs/dbraw/zinc/54/50/46/1303545046.db2.gz DXGKYQRXTREHIO-UHFFFAOYSA-N 2 1 325.456 3.384 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)N3C[C@H](C)C[C@H](C)C3)CC2)[nH+]c1C ZINC000886670201 1303549301 /nfs/dbraw/zinc/54/93/01/1303549301.db2.gz KVTNHQNXVPMHNK-VBQJREDUSA-N 2 1 346.519 3.099 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)N3[C@H](C)CCC[C@@H]3C)CC2)[nH+]c1C ZINC000886670824 1303550372 /nfs/dbraw/zinc/55/03/72/1303550372.db2.gz WVRYLYSQNLXBGR-VBQJREDUSA-N 2 1 346.519 3.384 20 0 EGADMP COC(=O)c1oc([C@H](C)[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1C ZINC000887132324 1303686283 /nfs/dbraw/zinc/68/62/83/1303686283.db2.gz CUELCHJQMANGHV-GJZGRUSLSA-N 2 1 343.427 3.041 20 0 EGADMP COC(=O)c1oc([C@H](C)[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1C ZINC000887132324 1303686289 /nfs/dbraw/zinc/68/62/89/1303686289.db2.gz CUELCHJQMANGHV-GJZGRUSLSA-N 2 1 343.427 3.041 20 0 EGADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H](C)c2nncn2C)ccc1OC ZINC000775378822 1303949763 /nfs/dbraw/zinc/94/97/63/1303949763.db2.gz CBSJDMHQVSPUPR-HUUCEWRRSA-N 2 1 345.491 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000775414993 1303960443 /nfs/dbraw/zinc/96/04/43/1303960443.db2.gz POCNMCVMJZHYLF-VQHPVUNQSA-N 2 1 328.591 3.324 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCC[C@@H]2C)cc1 ZINC000783921406 1305162718 /nfs/dbraw/zinc/16/27/18/1305162718.db2.gz RUESMZXNZRWDDA-KRWDZBQOSA-N 2 1 331.504 3.133 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000783921406 1305162720 /nfs/dbraw/zinc/16/27/20/1305162720.db2.gz RUESMZXNZRWDDA-KRWDZBQOSA-N 2 1 331.504 3.133 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CCC[C@@H]2C)cc1 ZINC000783921406 1305162726 /nfs/dbraw/zinc/16/27/26/1305162726.db2.gz RUESMZXNZRWDDA-KRWDZBQOSA-N 2 1 331.504 3.133 20 0 EGADMP C[NH+]1CCC(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000892185268 1305275983 /nfs/dbraw/zinc/27/59/83/1305275983.db2.gz FIEABLQLRXROHR-UHFFFAOYSA-N 3 1 341.543 3.316 20 0 EGADMP FC(F)(F)Oc1cccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000892493020 1305404208 /nfs/dbraw/zinc/40/42/08/1305404208.db2.gz YXJOUWFNCXCKHB-UHFFFAOYSA-N 2 1 328.378 3.344 20 0 EGADMP C[N@@H+](CCOC(=O)[C@@H]1CCC[NH+]1C1CCCC1)Cc1ccc(F)cc1 ZINC000786893837 1305650652 /nfs/dbraw/zinc/65/06/52/1305650652.db2.gz XOCPDESXWKYUNB-IBGZPJMESA-N 2 1 348.462 3.208 20 0 EGADMP C[NH+](CCOC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)Cc1ccc(F)cc1 ZINC000786893837 1305650656 /nfs/dbraw/zinc/65/06/56/1305650656.db2.gz XOCPDESXWKYUNB-IBGZPJMESA-N 2 1 348.462 3.208 20 0 EGADMP C[NH+](CCOC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)Cc1ccc(F)cc1 ZINC000786893837 1305650665 /nfs/dbraw/zinc/65/06/65/1305650665.db2.gz XOCPDESXWKYUNB-IBGZPJMESA-N 2 1 348.462 3.208 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnn(CC2CCC2)c1 ZINC000894480269 1308914415 /nfs/dbraw/zinc/91/44/15/1308914415.db2.gz XTDMUHKUIBUMDI-UHFFFAOYSA-N 2 1 329.492 3.354 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnn(CC2CCC2)c1 ZINC000894480269 1308914422 /nfs/dbraw/zinc/91/44/22/1308914422.db2.gz XTDMUHKUIBUMDI-UHFFFAOYSA-N 2 1 329.492 3.354 20 0 EGADMP ClC1(Cl)C[C@H]1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000791625782 1309035714 /nfs/dbraw/zinc/03/57/14/1309035714.db2.gz VOTZFCJGRPFOCQ-XHSDSOJGSA-N 2 1 325.283 3.244 20 0 EGADMP ClC1(Cl)C[C@H]1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000791625782 1309035726 /nfs/dbraw/zinc/03/57/26/1309035726.db2.gz VOTZFCJGRPFOCQ-XHSDSOJGSA-N 2 1 325.283 3.244 20 0 EGADMP ClC1(Cl)C[C@H]1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791625782 1309035737 /nfs/dbraw/zinc/03/57/37/1309035737.db2.gz VOTZFCJGRPFOCQ-XHSDSOJGSA-N 2 1 325.283 3.244 20 0 EGADMP ClC1(Cl)C[C@H]1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791625782 1309035746 /nfs/dbraw/zinc/03/57/46/1309035746.db2.gz VOTZFCJGRPFOCQ-XHSDSOJGSA-N 2 1 325.283 3.244 20 0 EGADMP CCOC(=O)C1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000792196957 1309142862 /nfs/dbraw/zinc/14/28/62/1309142862.db2.gz NLXZIBLQHXETQV-UHFFFAOYSA-N 2 1 344.499 3.364 20 0 EGADMP CCn1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC000895693445 1309469665 /nfs/dbraw/zinc/46/96/65/1309469665.db2.gz CQKBJIQMIPBIEF-QFBILLFUSA-N 2 1 326.488 3.069 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795098724 1309667406 /nfs/dbraw/zinc/66/74/06/1309667406.db2.gz GHQAIOGOLDFCIG-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795098724 1309667419 /nfs/dbraw/zinc/66/74/19/1309667419.db2.gz GHQAIOGOLDFCIG-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP CC[N@@H+](CCC1CCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)CC1)CC1CC1 ZINC000897299566 1310277853 /nfs/dbraw/zinc/27/78/53/1310277853.db2.gz JYIWAYGMCOSRIA-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1)CC1CC1 ZINC000897299566 1310277861 /nfs/dbraw/zinc/27/78/61/1310277861.db2.gz JYIWAYGMCOSRIA-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP O[C@@H]1CCCC[C@@H]1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000897536332 1310368104 /nfs/dbraw/zinc/36/81/04/1310368104.db2.gz JNULLLUMICTUJH-TZIWHRDSSA-N 2 1 330.516 3.224 20 0 EGADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177792 1310499753 /nfs/dbraw/zinc/49/97/53/1310499753.db2.gz VNZRRXNZYGRISK-GOSISDBHSA-N 2 1 343.515 3.014 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)c3ccc(F)cc3Cl)C2)CC1 ZINC000799176817 1310500023 /nfs/dbraw/zinc/50/00/23/1310500023.db2.gz FZDSJIUDRWVDMT-KRWDZBQOSA-N 2 1 340.870 3.320 20 0 EGADMP Cc1ncccc1CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000898255537 1310648632 /nfs/dbraw/zinc/64/86/32/1310648632.db2.gz LMKNFWQRUSJVTE-UHFFFAOYSA-N 2 1 341.474 3.368 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000839180456 1320887030 /nfs/dbraw/zinc/88/70/30/1320887030.db2.gz DEWUZVSQJUQNBI-IRXDYDNUSA-N 2 1 329.488 3.196 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(CC)C1C[NH+](CC2CCCC2)C1 ZINC000957113499 1317195544 /nfs/dbraw/zinc/19/55/44/1317195544.db2.gz NDYMWFJLNFIEBX-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000900512807 1317298409 /nfs/dbraw/zinc/29/84/09/1317298409.db2.gz OPXPTTRCRIRVDT-SFHVURJKSA-N 2 1 344.503 3.004 20 0 EGADMP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000900512807 1317298414 /nfs/dbraw/zinc/29/84/14/1317298414.db2.gz OPXPTTRCRIRVDT-SFHVURJKSA-N 2 1 344.503 3.004 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC000957544887 1317439861 /nfs/dbraw/zinc/43/98/61/1317439861.db2.gz ANUTUKYOKGMUGX-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000957602660 1317491937 /nfs/dbraw/zinc/49/19/37/1317491937.db2.gz DJFXOGOWORQGGH-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](CC1CCCC1)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000957726008 1317591791 /nfs/dbraw/zinc/59/17/91/1317591791.db2.gz JGEKPNNVQNTGOX-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC1CCCC1)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000957726008 1317591795 /nfs/dbraw/zinc/59/17/95/1317591795.db2.gz JGEKPNNVQNTGOX-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC1CCCC1)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000957726008 1317591799 /nfs/dbraw/zinc/59/17/99/1317591799.db2.gz JGEKPNNVQNTGOX-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020213979 1317596314 /nfs/dbraw/zinc/59/63/14/1317596314.db2.gz CHWZVLPXVHSVLZ-FHWLQOOXSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001020239279 1317605267 /nfs/dbraw/zinc/60/52/67/1317605267.db2.gz VKZJECGBVZOKPD-AFYVEPGGSA-N 2 1 343.515 3.247 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cn(C)nn1 ZINC000902747510 1317611560 /nfs/dbraw/zinc/61/15/60/1317611560.db2.gz GCAGHXBBNIKALZ-BBWFWOEESA-N 2 1 341.503 3.144 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cn(C)nn1 ZINC000902747510 1317611565 /nfs/dbraw/zinc/61/15/65/1317611565.db2.gz GCAGHXBBNIKALZ-BBWFWOEESA-N 2 1 341.503 3.144 20 0 EGADMP CCO[C@H]1CCC[C@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000902796135 1317617378 /nfs/dbraw/zinc/61/73/78/1317617378.db2.gz JVQSJFQGHXWGST-HKUYNNGSSA-N 2 1 338.536 3.347 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N2CC[NH+](CC3=CCCCC3)CC2)c1 ZINC000957754983 1317622618 /nfs/dbraw/zinc/62/26/18/1317622618.db2.gz XYEVBHSXXSWLAP-UHFFFAOYSA-N 2 1 341.499 3.006 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902968898 1317634150 /nfs/dbraw/zinc/63/41/50/1317634150.db2.gz YKXQMGOSQFGPHH-FBEWHJACSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902968898 1317634153 /nfs/dbraw/zinc/63/41/53/1317634153.db2.gz YKXQMGOSQFGPHH-FBEWHJACSA-N 2 1 336.479 3.145 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[NH+](CCCC2CCCC2)CC1)[NH+]1CCCC1 ZINC000957782922 1317644595 /nfs/dbraw/zinc/64/45/95/1317644595.db2.gz ZGKSKMXKEXJOMI-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000957782853 1317644867 /nfs/dbraw/zinc/64/48/67/1317644867.db2.gz WLKOVJMLVQWPMN-WOJBJXKFSA-N 2 1 343.515 3.156 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000957782853 1317644872 /nfs/dbraw/zinc/64/48/72/1317644872.db2.gz WLKOVJMLVQWPMN-WOJBJXKFSA-N 2 1 343.515 3.156 20 0 EGADMP Cc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[NH+](C)C)cc1 ZINC000903084032 1317648749 /nfs/dbraw/zinc/64/87/49/1317648749.db2.gz TWXKBQSIKFUIJN-VCYXJBJXSA-N 2 1 327.516 3.345 20 0 EGADMP Cc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)N(C)C)cc1 ZINC000903084032 1317648754 /nfs/dbraw/zinc/64/87/54/1317648754.db2.gz TWXKBQSIKFUIJN-VCYXJBJXSA-N 2 1 327.516 3.345 20 0 EGADMP Cc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)N(C)C)cc1 ZINC000903084032 1317648757 /nfs/dbraw/zinc/64/87/57/1317648757.db2.gz TWXKBQSIKFUIJN-VCYXJBJXSA-N 2 1 327.516 3.345 20 0 EGADMP CC(=O)OCc1cccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000903091310 1317650307 /nfs/dbraw/zinc/65/03/07/1317650307.db2.gz RDMMVXRVLGKQPI-LSDHHAIUSA-N 2 1 329.444 3.242 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903091446 1317650452 /nfs/dbraw/zinc/65/04/52/1317650452.db2.gz UHEUVHCWWIEOHG-CVEARBPZSA-N 2 1 339.524 3.142 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]1O)CC2 ZINC000903118352 1317656949 /nfs/dbraw/zinc/65/69/49/1317656949.db2.gz OAVQUSVAQBQSAH-XKRYSZRTSA-N 2 1 328.500 3.052 20 0 EGADMP C[C@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1Cl ZINC000903151709 1317663438 /nfs/dbraw/zinc/66/34/38/1317663438.db2.gz ISZXCDROSKWXDI-RFXRPKLXSA-N 2 1 334.891 3.295 20 0 EGADMP C[C@H](O)[C@@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccccc1 ZINC000903160411 1317664619 /nfs/dbraw/zinc/66/46/19/1317664619.db2.gz LRBPYIYCOIRPFM-NGMPGZOMSA-N 2 1 342.527 3.364 20 0 EGADMP c1ccc([C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CCO2)nc1 ZINC000903185881 1317669708 /nfs/dbraw/zinc/66/97/08/1317669708.db2.gz GZOAWHNISRYLIU-YLKUBASNSA-N 2 1 327.472 3.049 20 0 EGADMP CCc1ccc2ccccc2c1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000903459688 1317702887 /nfs/dbraw/zinc/70/28/87/1317702887.db2.gz WVJHMMCBUPJLMN-IBGZPJMESA-N 2 1 349.482 3.290 20 0 EGADMP c1ccc(CC[C@H]2CCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903723570 1317724939 /nfs/dbraw/zinc/72/49/39/1317724939.db2.gz IOXPFQMVYJGECJ-WOJBJXKFSA-N 2 1 328.500 3.242 20 0 EGADMP c1ccc(C[C@@H]2CCCC[N@@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903727633 1317725577 /nfs/dbraw/zinc/72/55/77/1317725577.db2.gz WIRFHOCMAWMYSO-VQTJNVASSA-N 2 1 328.500 3.242 20 0 EGADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729070 1317725715 /nfs/dbraw/zinc/72/57/15/1317725715.db2.gz JKFWFLFODOGECS-PMACEKPBSA-N 2 1 328.500 3.161 20 0 EGADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903731775 1317726656 /nfs/dbraw/zinc/72/66/56/1317726656.db2.gz CQUOXDDSDYGXKP-QRVBRYPASA-N 2 1 328.500 3.332 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903756817 1317730649 /nfs/dbraw/zinc/73/06/49/1317730649.db2.gz WEUIJQZJEZQRAJ-VKRLORBYSA-N 2 1 344.499 3.237 20 0 EGADMP C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903786204 1317734158 /nfs/dbraw/zinc/73/41/58/1317734158.db2.gz GFSMSRLTOXWFEB-MISYRCLQSA-N 2 1 328.500 3.413 20 0 EGADMP CC1(C)C[C@H](c2ccccc2)C[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903788723 1317734583 /nfs/dbraw/zinc/73/45/83/1317734583.db2.gz PEXKRZBRYUMBCH-OALUTQOASA-N 2 1 328.500 3.413 20 0 EGADMP Cc1ccc([C@@H](C)[N@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000903880276 1317740634 /nfs/dbraw/zinc/74/06/34/1317740634.db2.gz OZUAYFZNWOCETG-SJORKVTESA-N 2 1 327.476 3.012 20 0 EGADMP Cc1ccc([C@@H](C)[N@@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000903880276 1317740637 /nfs/dbraw/zinc/74/06/37/1317740637.db2.gz OZUAYFZNWOCETG-SJORKVTESA-N 2 1 327.476 3.012 20 0 EGADMP Fc1ccc([C@@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)c(Cl)c1 ZINC000903915075 1317747396 /nfs/dbraw/zinc/74/73/96/1317747396.db2.gz XYRFALJGBGDRGW-BDCDKBNASA-N 2 1 338.854 3.383 20 0 EGADMP Fc1ccc([C@@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)c(Cl)c1 ZINC000903915075 1317747402 /nfs/dbraw/zinc/74/74/02/1317747402.db2.gz XYRFALJGBGDRGW-BDCDKBNASA-N 2 1 338.854 3.383 20 0 EGADMP C[N@H+]1CCCC[C@@H](CNCc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000858245069 1328721096 /nfs/dbraw/zinc/72/10/96/1328721096.db2.gz BURJFRZITPDTDV-INIZCTEOSA-N 2 1 348.491 3.250 20 0 EGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000858245069 1328721103 /nfs/dbraw/zinc/72/11/03/1328721103.db2.gz BURJFRZITPDTDV-INIZCTEOSA-N 2 1 348.491 3.250 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000858245069 1328721106 /nfs/dbraw/zinc/72/11/06/1328721106.db2.gz BURJFRZITPDTDV-INIZCTEOSA-N 2 1 348.491 3.250 20 0 EGADMP CC(C)(C)CC[C@H]([NH3+])C[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000904363718 1317836225 /nfs/dbraw/zinc/83/62/25/1317836225.db2.gz BKEOJSGRGMDDGV-SFHVURJKSA-N 2 1 331.504 3.052 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904405800 1317843084 /nfs/dbraw/zinc/84/30/84/1317843084.db2.gz PTLNHSGAKVVTRH-QGZVFWFLSA-N 2 1 346.906 3.372 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)ccc1OCC(F)(F)F ZINC000904405496 1317843409 /nfs/dbraw/zinc/84/34/09/1317843409.db2.gz MCOVQKZAAMJQBW-CYBMUJFWSA-N 2 1 346.393 3.197 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccccc2C[NH3+])C1 ZINC000904661385 1317878955 /nfs/dbraw/zinc/87/89/55/1317878955.db2.gz SYEJFKYBDDDKLR-IAGOWNOFSA-N 2 1 344.503 3.264 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCCCC2=O)cc1 ZINC000810262334 1317988744 /nfs/dbraw/zinc/98/87/44/1317988744.db2.gz PBYMVBUNLGFGHW-XYJFISCASA-N 2 1 329.488 3.337 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCCCC2=O)cc1 ZINC000810262334 1317988750 /nfs/dbraw/zinc/98/87/50/1317988750.db2.gz PBYMVBUNLGFGHW-XYJFISCASA-N 2 1 329.488 3.337 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001021306322 1318180384 /nfs/dbraw/zinc/18/03/84/1318180384.db2.gz DJZLPCYVAJKALB-RAFMOHDBSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001021306322 1318180388 /nfs/dbraw/zinc/18/03/88/1318180388.db2.gz DJZLPCYVAJKALB-RAFMOHDBSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001021306322 1318180394 /nfs/dbraw/zinc/18/03/94/1318180394.db2.gz DJZLPCYVAJKALB-RAFMOHDBSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001021380586 1318223042 /nfs/dbraw/zinc/22/30/42/1318223042.db2.gz MAKFXYAUQXWMFE-OHSMVPPVSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001021380586 1318223044 /nfs/dbraw/zinc/22/30/44/1318223044.db2.gz MAKFXYAUQXWMFE-OHSMVPPVSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001021380586 1318223046 /nfs/dbraw/zinc/22/30/46/1318223046.db2.gz MAKFXYAUQXWMFE-OHSMVPPVSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)[NH+]1CCCCCC1 ZINC001021400496 1318233667 /nfs/dbraw/zinc/23/36/67/1318233667.db2.gz XEAKZEDRRGAMKK-OHSMVPPVSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCCCC2)C1 ZINC001021437622 1318250627 /nfs/dbraw/zinc/25/06/27/1318250627.db2.gz FZSKVVQJUFQRFF-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCCCC2)C1 ZINC001021437622 1318250637 /nfs/dbraw/zinc/25/06/37/1318250637.db2.gz FZSKVVQJUFQRFF-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCCC2)C1 ZINC001021437622 1318250644 /nfs/dbraw/zinc/25/06/44/1318250644.db2.gz FZSKVVQJUFQRFF-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP CCSc1ccccc1CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000929981777 1328756444 /nfs/dbraw/zinc/75/64/44/1328756444.db2.gz PXDMPDHRVCEQJT-SFHVURJKSA-N 2 1 333.545 3.010 20 0 EGADMP CCSc1ccccc1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000929981777 1328756450 /nfs/dbraw/zinc/75/64/50/1328756450.db2.gz PXDMPDHRVCEQJT-SFHVURJKSA-N 2 1 333.545 3.010 20 0 EGADMP CCSc1ccccc1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000929981777 1328756454 /nfs/dbraw/zinc/75/64/54/1328756454.db2.gz PXDMPDHRVCEQJT-SFHVURJKSA-N 2 1 333.545 3.010 20 0 EGADMP O=C(C[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1=CCCCC1 ZINC001021461683 1318265266 /nfs/dbraw/zinc/26/52/66/1318265266.db2.gz NOCJZXPOUIQJDC-IHWFROFDSA-N 2 1 345.531 3.084 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(N(C)C)c3ccccc23)[C@@H](C)C1 ZINC000930001781 1328761766 /nfs/dbraw/zinc/76/17/66/1328761766.db2.gz WFHANCGDNFSCKR-JXFKEZNVSA-N 2 1 340.515 3.463 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(N(C)C)c3ccccc23)[C@@H](C)C1 ZINC000930001781 1328761768 /nfs/dbraw/zinc/76/17/68/1328761768.db2.gz WFHANCGDNFSCKR-JXFKEZNVSA-N 2 1 340.515 3.463 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(N(C)C)c3ccccc23)[C@@H](C)C1 ZINC000930001781 1328761774 /nfs/dbraw/zinc/76/17/74/1328761774.db2.gz WFHANCGDNFSCKR-JXFKEZNVSA-N 2 1 340.515 3.463 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000960130418 1318371695 /nfs/dbraw/zinc/37/16/95/1318371695.db2.gz GWCJDMGOEDQJGM-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021705967 1318577670 /nfs/dbraw/zinc/57/76/70/1318577670.db2.gz HQQQIGAYNULPIJ-WOJBJXKFSA-N 2 1 349.563 3.076 20 0 EGADMP C[NH+](C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C)CC1CCC(C)(C)CC1 ZINC000960485720 1318596982 /nfs/dbraw/zinc/59/69/82/1318596982.db2.gz FGCNDPXLRUPKNZ-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)CC1CCC(C)(C)CC1 ZINC000960485720 1318596989 /nfs/dbraw/zinc/59/69/89/1318596989.db2.gz FGCNDPXLRUPKNZ-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739745 1318647575 /nfs/dbraw/zinc/64/75/75/1318647575.db2.gz MWCGOTHSCDPRLH-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@H]2CCCN2C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000960644926 1318763414 /nfs/dbraw/zinc/76/34/14/1318763414.db2.gz WWVZEWJQQFHRHD-CTWPCTMYSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)Cc1ccsc1 ZINC000960666477 1318782944 /nfs/dbraw/zinc/78/29/44/1318782944.db2.gz RJESQBFNTQJNJZ-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccsc1 ZINC000960666477 1318782950 /nfs/dbraw/zinc/78/29/50/1318782950.db2.gz RJESQBFNTQJNJZ-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccsc1 ZINC000960666477 1318782956 /nfs/dbraw/zinc/78/29/56/1318782956.db2.gz RJESQBFNTQJNJZ-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP C[N@@H+](CC1CCC1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000960685801 1318791890 /nfs/dbraw/zinc/79/18/90/1318791890.db2.gz WFYXYYQEHNJJQQ-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CCC1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000960685801 1318791896 /nfs/dbraw/zinc/79/18/96/1318791896.db2.gz WFYXYYQEHNJJQQ-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CCC1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000960685801 1318791901 /nfs/dbraw/zinc/79/19/01/1318791901.db2.gz WFYXYYQEHNJJQQ-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCCC1)C1CC1 ZINC000960685102 1318793168 /nfs/dbraw/zinc/79/31/68/1318793168.db2.gz UASDRBZPDWDWRZ-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001022164795 1318825769 /nfs/dbraw/zinc/82/57/69/1318825769.db2.gz PVACDQSJCZYXPP-ZGXWSNOMSA-N 2 1 343.515 3.249 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001022164792 1318825830 /nfs/dbraw/zinc/82/58/30/1318825830.db2.gz PVACDQSJCZYXPP-IYWMVGAKSA-N 2 1 343.515 3.249 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022165871 1318825905 /nfs/dbraw/zinc/82/59/05/1318825905.db2.gz FTMNFUIMUMXHLJ-OTWHNJEPSA-N 2 1 335.536 3.068 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001022293097 1318881189 /nfs/dbraw/zinc/88/11/89/1318881189.db2.gz QSPYOKIMTBKVPB-XSYGEPLQSA-N 2 1 343.515 3.086 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCCC1 ZINC000960865322 1319010486 /nfs/dbraw/zinc/01/04/86/1319010486.db2.gz PUMIBBMILMWMPY-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCCC1 ZINC000960865322 1319010492 /nfs/dbraw/zinc/01/04/92/1319010492.db2.gz PUMIBBMILMWMPY-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC2(CC2)CC1)[NH+](C)C ZINC000960870869 1319014150 /nfs/dbraw/zinc/01/41/50/1319014150.db2.gz UIQZJZSDUDHFKD-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H](c1ncccn1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000930169643 1328803225 /nfs/dbraw/zinc/80/32/25/1328803225.db2.gz DQDKFYSEWAKGIQ-INIZCTEOSA-N 2 1 325.460 3.171 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC000960900295 1319038228 /nfs/dbraw/zinc/03/82/28/1319038228.db2.gz OEFZOQJPGFAJNG-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC000960900295 1319038235 /nfs/dbraw/zinc/03/82/35/1319038235.db2.gz OEFZOQJPGFAJNG-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001022717458 1319080453 /nfs/dbraw/zinc/08/04/53/1319080453.db2.gz XJNKYZIUTJVJKL-KURKYZTESA-N 2 1 343.515 3.025 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001022795008 1319113947 /nfs/dbraw/zinc/11/39/47/1319113947.db2.gz HTJKYTKIXICFDT-NXHRZFHOSA-N 2 1 340.471 3.005 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001022958301 1319187372 /nfs/dbraw/zinc/18/73/72/1319187372.db2.gz IQVLGDPTHVSALZ-OTWHNJEPSA-N 2 1 335.536 3.068 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001023030296 1319228358 /nfs/dbraw/zinc/22/83/58/1319228358.db2.gz XVILWHBFJRZLEK-ZVDOUQERSA-N 2 1 347.547 3.070 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961281781 1319438794 /nfs/dbraw/zinc/43/87/94/1319438794.db2.gz IDKJCWWENKKCBA-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000817891297 1319453459 /nfs/dbraw/zinc/45/34/59/1319453459.db2.gz JQCNUGNHETXYKN-DJIMGWMZSA-N 2 1 344.421 3.337 20 0 EGADMP COc1ccc([C@@H](C)N[C@H]2CCC[NH2+]CC2)cc1C[NH+]1CCCCC1 ZINC000817969696 1319481249 /nfs/dbraw/zinc/48/12/49/1319481249.db2.gz YBOMEWCXJHROOX-XLIONFOSSA-N 2 1 345.531 3.474 20 0 EGADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000818187099 1319513419 /nfs/dbraw/zinc/51/34/19/1319513419.db2.gz RVBFSMPMOAPWAL-ZDUSSCGKSA-N 2 1 335.423 3.048 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961363882 1319521153 /nfs/dbraw/zinc/52/11/53/1319521153.db2.gz CDJIEYGXHOHBJS-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000961363882 1319521163 /nfs/dbraw/zinc/52/11/63/1319521163.db2.gz CDJIEYGXHOHBJS-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000961363882 1319521171 /nfs/dbraw/zinc/52/11/71/1319521171.db2.gz CDJIEYGXHOHBJS-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cc(=O)oc2c1 ZINC000818340399 1319528741 /nfs/dbraw/zinc/52/87/41/1319528741.db2.gz LVUPWSWQTCURLR-HNNXBMFYSA-N 2 1 326.440 3.065 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023450524 1319552522 /nfs/dbraw/zinc/55/25/22/1319552522.db2.gz GYLWDYKYPGDWHT-GOSISDBHSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000961415064 1319571048 /nfs/dbraw/zinc/57/10/48/1319571048.db2.gz LMXOXJLVOFGZAF-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000818989170 1319606978 /nfs/dbraw/zinc/60/69/78/1319606978.db2.gz ZYFLWLIRDGQFAA-HNAYVOBHSA-N 2 1 348.487 3.422 20 0 EGADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000818989170 1319606989 /nfs/dbraw/zinc/60/69/89/1319606989.db2.gz ZYFLWLIRDGQFAA-HNAYVOBHSA-N 2 1 348.487 3.422 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000819151999 1319649053 /nfs/dbraw/zinc/64/90/53/1319649053.db2.gz JTYQALCJQIRVNH-SUMWQHHRSA-N 2 1 328.859 3.080 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000819152103 1319649596 /nfs/dbraw/zinc/64/95/96/1319649596.db2.gz LLKJOXLGBJWKHK-YOEHRIQHSA-N 2 1 344.421 3.306 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001023560693 1319672390 /nfs/dbraw/zinc/67/23/90/1319672390.db2.gz ULBQNGKDRVDYLC-QGZVFWFLSA-N 2 1 349.519 3.219 20 0 EGADMP Cn1nccc1CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000820841439 1319966922 /nfs/dbraw/zinc/96/69/22/1319966922.db2.gz LAIASHPIEMDKGP-VCSGRIEYSA-N 2 1 338.499 3.138 20 0 EGADMP O=C(c1cc2c[nH]ccc-2n1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000930468845 1328864560 /nfs/dbraw/zinc/86/45/60/1328864560.db2.gz BVMGVWIVJWTUHW-UHFFFAOYSA-N 2 1 340.471 3.291 20 0 EGADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc(F)cnc2Cl)cc1 ZINC000824537607 1320264122 /nfs/dbraw/zinc/26/41/22/1320264122.db2.gz FNZCNHSBRBKWHS-UHFFFAOYSA-N 2 1 337.826 3.104 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](O)c1c(F)cccc1Cl ZINC000838966825 1320844502 /nfs/dbraw/zinc/84/45/02/1320844502.db2.gz HRDBTFFRPPWEMN-DIFFPNOSSA-N 2 1 326.843 3.117 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCCC3(C2)OCCO3)c1 ZINC000839525682 1320932304 /nfs/dbraw/zinc/93/23/04/1320932304.db2.gz XCTNKPGSLLKYRT-UHFFFAOYSA-N 2 1 330.472 3.011 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCCC3(C2)OCCO3)c1 ZINC000839525682 1320932308 /nfs/dbraw/zinc/93/23/08/1320932308.db2.gz XCTNKPGSLLKYRT-UHFFFAOYSA-N 2 1 330.472 3.011 20 0 EGADMP [NH3+]CCc1ccc(C[NH2+]Cc2c(F)cccc2Br)cc1 ZINC000841033253 1321204301 /nfs/dbraw/zinc/20/43/01/1321204301.db2.gz MBRQGSWZHRZFAW-UHFFFAOYSA-N 2 1 337.236 3.379 20 0 EGADMP C[C@H](C(=O)NCC1CCCCC1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212858 1328947249 /nfs/dbraw/zinc/94/72/49/1328947249.db2.gz CKKUCBWHXQFZKH-QGZVFWFLSA-N 2 1 345.531 3.265 20 0 EGADMP C[C@H](C(=O)NCC1CCCCC1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212858 1328947253 /nfs/dbraw/zinc/94/72/53/1328947253.db2.gz CKKUCBWHXQFZKH-QGZVFWFLSA-N 2 1 345.531 3.265 20 0 EGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000842471948 1321392463 /nfs/dbraw/zinc/39/24/63/1321392463.db2.gz IQGXUWQVGGBGPL-GOSISDBHSA-N 2 1 331.504 3.038 20 0 EGADMP C[N@@H+](CCCCCCC[NH3+])C1CCN(C(=O)c2ccccc2)CC1 ZINC000842472093 1321392611 /nfs/dbraw/zinc/39/26/11/1321392611.db2.gz QFCNYWUDEFDCPR-UHFFFAOYSA-N 2 1 331.504 3.132 20 0 EGADMP CC(C)(C)c1ccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000842473135 1321392942 /nfs/dbraw/zinc/39/29/42/1321392942.db2.gz QFCLVZNBAWCRDF-IBGZPJMESA-N 2 1 343.515 3.387 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Cl)nc(Cl)c3)CC2)C1 ZINC000842478657 1321393860 /nfs/dbraw/zinc/39/38/60/1321393860.db2.gz JEEFYXYMKQDLNX-ZIAGYGMSSA-N 2 1 344.286 3.107 20 0 EGADMP CCOc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)ccc1OC(=O)CC ZINC000843054773 1321462833 /nfs/dbraw/zinc/46/28/33/1321462833.db2.gz GXBWAMNDFPXWDN-UHFFFAOYSA-N 2 1 334.460 3.102 20 0 EGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000843058592 1321464041 /nfs/dbraw/zinc/46/40/41/1321464041.db2.gz WFEXOYGBYRUIGE-JCGIZDLHSA-N 2 1 344.890 3.393 20 0 EGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000843058592 1321464042 /nfs/dbraw/zinc/46/40/42/1321464042.db2.gz WFEXOYGBYRUIGE-JCGIZDLHSA-N 2 1 344.890 3.393 20 0 EGADMP C[N@H+](Cc1noc(-c2c(F)cccc2Cl)n1)C1CCC([NH3+])CC1 ZINC000843354647 1321505355 /nfs/dbraw/zinc/50/53/55/1321505355.db2.gz HADRUQRTGJUWMQ-UHFFFAOYSA-N 2 1 338.814 3.231 20 0 EGADMP C[N@@H+](Cc1noc(-c2c(F)cccc2Cl)n1)C1CCC([NH3+])CC1 ZINC000843354647 1321505358 /nfs/dbraw/zinc/50/53/58/1321505358.db2.gz HADRUQRTGJUWMQ-UHFFFAOYSA-N 2 1 338.814 3.231 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000844280907 1321585038 /nfs/dbraw/zinc/58/50/38/1321585038.db2.gz XTGOFXMFODVADH-JKSUJKDBSA-N 2 1 345.314 3.043 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000844280907 1321585039 /nfs/dbraw/zinc/58/50/39/1321585039.db2.gz XTGOFXMFODVADH-JKSUJKDBSA-N 2 1 345.314 3.043 20 0 EGADMP CC[N@@H+](CCCNC(=O)C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000844776820 1321645775 /nfs/dbraw/zinc/64/57/75/1321645775.db2.gz JPUKKVBOPHYPRQ-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(Br)nc1 ZINC000844924310 1321658917 /nfs/dbraw/zinc/65/89/17/1321658917.db2.gz OJNZGONORGTMPX-SNVBAGLBSA-N 2 1 338.224 3.293 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845929519 1321755100 /nfs/dbraw/zinc/75/51/00/1321755100.db2.gz VHMLZYRUVLYWRE-CGZBRXJRSA-N 2 1 339.524 3.001 20 0 EGADMP CC[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000849063102 1322062730 /nfs/dbraw/zinc/06/27/30/1322062730.db2.gz WPFRRNUKYRZFQD-VQIMIIECSA-N 2 1 328.504 3.080 20 0 EGADMP CC[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000849063102 1322062737 /nfs/dbraw/zinc/06/27/37/1322062737.db2.gz WPFRRNUKYRZFQD-VQIMIIECSA-N 2 1 328.504 3.080 20 0 EGADMP C[N@H+]1CCC[C@@H](CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000849116357 1322084733 /nfs/dbraw/zinc/08/47/33/1322084733.db2.gz NIJURSGFOAUYLE-LBPRGKRZSA-N 2 1 344.381 3.253 20 0 EGADMP Cc1c(Br)cncc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000850175375 1322202187 /nfs/dbraw/zinc/20/21/87/1322202187.db2.gz XARZLXPUVLHVCH-ZIAGYGMSSA-N 2 1 326.282 3.115 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc2c(c1)CCCO2 ZINC000850432940 1322248898 /nfs/dbraw/zinc/24/88/98/1322248898.db2.gz DNGSRVZYLWCWGU-OXJNMPFZSA-N 2 1 344.499 3.306 20 0 EGADMP Cn1ccnc1C[C@H](NCc1cccc2c1OCC2)c1ccccc1 ZINC000921797509 1322399389 /nfs/dbraw/zinc/39/93/89/1322399389.db2.gz DPRLGQYTOPWVBU-IBGZPJMESA-N 2 1 333.435 3.429 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+]CCc3nc4c(s3)CCC4)CC2)cc1 ZINC000922718528 1322602809 /nfs/dbraw/zinc/60/28/09/1322602809.db2.gz WWAKISWAUCOEAX-UHFFFAOYSA-N 2 1 341.524 3.429 20 0 EGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000923368110 1322741188 /nfs/dbraw/zinc/74/11/88/1322741188.db2.gz LGVCBWCCXCZQSI-UYAOXDASSA-N 2 1 342.483 3.056 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@@H](CC[NH3+])C3)c2cc1C(C)C ZINC000923483500 1322759731 /nfs/dbraw/zinc/75/97/31/1322759731.db2.gz AZUSPROQZIRBJK-OAHLLOKOSA-N 2 1 328.456 3.396 20 0 EGADMP C[C@]1(Cc2ccc(Cl)s2)CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923524952 1322769677 /nfs/dbraw/zinc/76/96/77/1322769677.db2.gz BANZDYWERLLRBJ-XJKSGUPXSA-N 2 1 340.920 3.177 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024040383 1323091474 /nfs/dbraw/zinc/09/14/74/1323091474.db2.gz HEVQWFMOUPNNGT-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024040387 1323091577 /nfs/dbraw/zinc/09/15/77/1323091577.db2.gz HEVQWFMOUPNNGT-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)OC[C@H](C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)O1 ZINC000852087414 1323143967 /nfs/dbraw/zinc/14/39/67/1323143967.db2.gz ZSWWZBCGMLYZGR-IBGZPJMESA-N 2 1 344.499 3.126 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024156402 1323178875 /nfs/dbraw/zinc/17/88/75/1323178875.db2.gz MWNFOTBRGYSTHZ-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cc[nH]c(=O)c1 ZINC000924874372 1323195701 /nfs/dbraw/zinc/19/57/01/1323195701.db2.gz PSZVUOAGQWXCDK-HUUCEWRRSA-N 2 1 331.485 3.412 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc[nH]c(=O)c1 ZINC000924874372 1323195711 /nfs/dbraw/zinc/19/57/11/1323195711.db2.gz PSZVUOAGQWXCDK-HUUCEWRRSA-N 2 1 331.485 3.412 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001024187550 1323199417 /nfs/dbraw/zinc/19/94/17/1323199417.db2.gz ZOGKASBMRNQBHY-SFHVURJKSA-N 2 1 346.519 3.025 20 0 EGADMP CON1CCC([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCCC2)CC1 ZINC000925110800 1323287428 /nfs/dbraw/zinc/28/74/28/1323287428.db2.gz ITBJLQXTXZVJCH-QGZVFWFLSA-N 2 1 331.504 3.265 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024436880 1323396305 /nfs/dbraw/zinc/39/63/05/1323396305.db2.gz JIXNFMAETFKUSO-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001024436880 1323396310 /nfs/dbraw/zinc/39/63/10/1323396310.db2.gz JIXNFMAETFKUSO-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001024436880 1323396315 /nfs/dbraw/zinc/39/63/15/1323396315.db2.gz JIXNFMAETFKUSO-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001024436501 1323396600 /nfs/dbraw/zinc/39/66/00/1323396600.db2.gz FFIWNOVQFXZHHW-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001024436501 1323396601 /nfs/dbraw/zinc/39/66/01/1323396601.db2.gz FFIWNOVQFXZHHW-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001024436501 1323396607 /nfs/dbraw/zinc/39/66/07/1323396607.db2.gz FFIWNOVQFXZHHW-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024439532 1323403056 /nfs/dbraw/zinc/40/30/56/1323403056.db2.gz BIWFJZSYWFADCA-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024439532 1323403062 /nfs/dbraw/zinc/40/30/62/1323403062.db2.gz BIWFJZSYWFADCA-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024439532 1323403065 /nfs/dbraw/zinc/40/30/65/1323403065.db2.gz BIWFJZSYWFADCA-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024480000 1323433202 /nfs/dbraw/zinc/43/32/02/1323433202.db2.gz WHBNYSMUFJWQPS-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024480000 1323433205 /nfs/dbraw/zinc/43/32/05/1323433205.db2.gz WHBNYSMUFJWQPS-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024480000 1323433211 /nfs/dbraw/zinc/43/32/11/1323433211.db2.gz WHBNYSMUFJWQPS-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1=CCCCC1 ZINC001024514329 1323466001 /nfs/dbraw/zinc/46/60/01/1323466001.db2.gz XTRHWNKFFYLXHZ-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1=CCCCC1 ZINC001024514329 1323466013 /nfs/dbraw/zinc/46/60/13/1323466013.db2.gz XTRHWNKFFYLXHZ-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1=CCCCC1 ZINC001024514329 1323466026 /nfs/dbraw/zinc/46/60/26/1323466026.db2.gz XTRHWNKFFYLXHZ-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CC2(CCC2)C1 ZINC001024514423 1323466169 /nfs/dbraw/zinc/46/61/69/1323466169.db2.gz ZEXOWCCEUJNGAW-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001024514423 1323466173 /nfs/dbraw/zinc/46/61/73/1323466173.db2.gz ZEXOWCCEUJNGAW-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC2(CCC2)C1 ZINC001024514423 1323466179 /nfs/dbraw/zinc/46/61/79/1323466179.db2.gz ZEXOWCCEUJNGAW-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024712262 1323618736 /nfs/dbraw/zinc/61/87/36/1323618736.db2.gz RXCVJKVRLFHXLI-FQEVSTJZSA-N 2 1 343.515 3.299 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024737626 1323636901 /nfs/dbraw/zinc/63/69/01/1323636901.db2.gz KPNPOCLDWSLCAQ-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024737628 1323637403 /nfs/dbraw/zinc/63/74/03/1323637403.db2.gz KPNPOCLDWSLCAQ-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP O=C(NC[C@@H]1CCCC[N@H+]1CCCC1CCCC1)C12CC[NH+](CC1)C2 ZINC001024760483 1323661389 /nfs/dbraw/zinc/66/13/89/1323661389.db2.gz UCXQXIIVUBDPDO-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024812193 1323716423 /nfs/dbraw/zinc/71/64/23/1323716423.db2.gz KCHBLGYAJPCIJE-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1=CCCCC1 ZINC001024812193 1323716430 /nfs/dbraw/zinc/71/64/30/1323716430.db2.gz KCHBLGYAJPCIJE-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1=CCCCC1 ZINC001024812193 1323716435 /nfs/dbraw/zinc/71/64/35/1323716435.db2.gz KCHBLGYAJPCIJE-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024812249 1323716780 /nfs/dbraw/zinc/71/67/80/1323716780.db2.gz MRPMWSVAMQCEFA-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001024812249 1323716783 /nfs/dbraw/zinc/71/67/83/1323716783.db2.gz MRPMWSVAMQCEFA-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC(C)(C)C ZINC001024812249 1323716789 /nfs/dbraw/zinc/71/67/89/1323716789.db2.gz MRPMWSVAMQCEFA-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024814146 1323718412 /nfs/dbraw/zinc/71/84/12/1323718412.db2.gz ORKLSYDZKXEAJK-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001024814146 1323718417 /nfs/dbraw/zinc/71/84/17/1323718417.db2.gz ORKLSYDZKXEAJK-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001024814146 1323718423 /nfs/dbraw/zinc/71/84/23/1323718423.db2.gz ORKLSYDZKXEAJK-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001024961968 1323802221 /nfs/dbraw/zinc/80/22/21/1323802221.db2.gz GAGBDYWCMVGCFH-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001024979152 1323811269 /nfs/dbraw/zinc/81/12/69/1323811269.db2.gz MOXWZCLMCKXQEH-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001024989634 1323815853 /nfs/dbraw/zinc/81/58/53/1323815853.db2.gz URAZYWCRKPVENJ-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CCCC[N@@H+]2C)cs1 ZINC001025003661 1323822383 /nfs/dbraw/zinc/82/23/83/1323822383.db2.gz XCIWOJQOBKTTCK-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001025004750 1323822610 /nfs/dbraw/zinc/82/26/10/1323822610.db2.gz AZURWDOGSWCWJH-IBGZPJMESA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCCC2)C1 ZINC001025137948 1323916234 /nfs/dbraw/zinc/91/62/34/1323916234.db2.gz BXPCGQBSAWMHFM-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001025168596 1323937516 /nfs/dbraw/zinc/93/75/16/1323937516.db2.gz NXKAXPLZMJECEJ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025239181 1324031341 /nfs/dbraw/zinc/03/13/41/1324031341.db2.gz CJOOBCVKUPTEAQ-QZTJIDSGSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025245916 1324044749 /nfs/dbraw/zinc/04/47/49/1324044749.db2.gz AEFCZBHUEKXAMU-OALUTQOASA-N 2 1 340.471 3.203 20 0 EGADMP CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC001025274882 1324094323 /nfs/dbraw/zinc/09/43/23/1324094323.db2.gz PLRMMBBAATWWCP-MSOLQXFVSA-N 2 1 346.519 3.262 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC001025274882 1324094331 /nfs/dbraw/zinc/09/43/31/1324094331.db2.gz PLRMMBBAATWWCP-MSOLQXFVSA-N 2 1 346.519 3.262 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300059 1324132781 /nfs/dbraw/zinc/13/27/81/1324132781.db2.gz AYXSGQKDNRPYQK-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccccc1C[NH+](C)C ZINC001025300841 1324133803 /nfs/dbraw/zinc/13/38/03/1324133803.db2.gz GIJDESBGGQURPI-UXHICEINSA-N 2 1 343.515 3.227 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450896 1324293730 /nfs/dbraw/zinc/29/37/30/1324293730.db2.gz CDYDTBQFXJKRTF-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001025521661 1324365611 /nfs/dbraw/zinc/36/56/11/1324365611.db2.gz DWXWUQGKOGYFFQ-XLIONFOSSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557232 1324406162 /nfs/dbraw/zinc/40/61/62/1324406162.db2.gz FPRSSOKNVFQAKK-FXAWDEMLSA-N 2 1 345.531 3.379 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001026502869 1324852754 /nfs/dbraw/zinc/85/27/54/1324852754.db2.gz DPKDFBGVCGNKAV-SOAGJPPSSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NC2CCC([NH2+]CCC3CCCCC3)CC2)C1 ZINC001026561106 1324896600 /nfs/dbraw/zinc/89/66/00/1324896600.db2.gz ONVRZHGBDSTYRQ-KKXNLOMOSA-N 2 1 349.563 3.316 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001026605899 1324927774 /nfs/dbraw/zinc/92/77/74/1324927774.db2.gz ITEQORWPTIHZGD-UHFFFAOYSA-N 2 1 346.519 3.179 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026610583 1324931318 /nfs/dbraw/zinc/93/13/18/1324931318.db2.gz NDXZJSIDJKOITE-CTWPCTMYSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026839693 1325041875 /nfs/dbraw/zinc/04/18/75/1325041875.db2.gz DXQMRYPQZXRFSM-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cc[nH]c(=O)c1 ZINC000925219373 1325084580 /nfs/dbraw/zinc/08/45/80/1325084580.db2.gz DHBKECKSGYDQMD-BXWFABGCSA-N 2 1 325.456 3.348 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cc[nH]c(=O)c1 ZINC000925219373 1325084586 /nfs/dbraw/zinc/08/45/86/1325084586.db2.gz DHBKECKSGYDQMD-BXWFABGCSA-N 2 1 325.456 3.348 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963310268 1325094591 /nfs/dbraw/zinc/09/45/91/1325094591.db2.gz CWQAUNVLIMUYHJ-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963310268 1325094597 /nfs/dbraw/zinc/09/45/97/1325094597.db2.gz CWQAUNVLIMUYHJ-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000963310268 1325094603 /nfs/dbraw/zinc/09/46/03/1325094603.db2.gz CWQAUNVLIMUYHJ-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)C2CCC([NH2+]CC3=CCCCC3)CC2)CC[N@H+]1C ZINC000963337780 1325128657 /nfs/dbraw/zinc/12/86/57/1325128657.db2.gz IHRGLTFBBPASQV-SGZDXZSOSA-N 2 1 347.547 3.186 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)C2CCC([NH2+]CCC3CCCC3)CC2)CC[N@H+]1C ZINC000963344608 1325135420 /nfs/dbraw/zinc/13/54/20/1325135420.db2.gz QKJMQRKUFCMRFV-SGZDXZSOSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963347064 1325137385 /nfs/dbraw/zinc/13/73/85/1325137385.db2.gz NOUYAGKYSFUBMX-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(-n3cnnc3)c2)C1 ZINC000925589590 1325222871 /nfs/dbraw/zinc/22/28/71/1325222871.db2.gz ZJQXDGDHOGUKDZ-ZWKOTPCHSA-N 2 1 341.503 3.286 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000963417576 1325226396 /nfs/dbraw/zinc/22/63/96/1325226396.db2.gz NWFNOMBHOOHDOS-VQTJNVASSA-N 2 1 343.515 3.085 20 0 EGADMP CCON1CCC([NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000925613165 1325232006 /nfs/dbraw/zinc/23/20/06/1325232006.db2.gz AQPHQGZAHLUGHI-ICSRJNTNSA-N 2 1 345.531 3.293 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CCC4(CCOCC4)CO3)CC[NH2+]2)cc1 ZINC000925738797 1325277587 /nfs/dbraw/zinc/27/75/87/1325277587.db2.gz ZJXNOFMUSIKORU-ZCNNSNEGSA-N 2 1 344.499 3.045 20 0 EGADMP CC1(C)[C@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H]1c1ccccc1 ZINC000925794678 1325303884 /nfs/dbraw/zinc/30/38/84/1325303884.db2.gz VTSCOVLNEXQCAN-CEXWTWQISA-N 2 1 328.500 3.317 20 0 EGADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000856930480 1325542630 /nfs/dbraw/zinc/54/26/30/1325542630.db2.gz WNIIOAGNOVQGCS-FXAWDEMLSA-N 2 1 343.515 3.100 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(-n2cnnc2)c1 ZINC000926739510 1327693828 /nfs/dbraw/zinc/69/38/28/1327693828.db2.gz UECFETPGMLMTKA-FUHWJXTLSA-N 2 1 339.487 3.040 20 0 EGADMP CCc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)cc1 ZINC001027460039 1327704071 /nfs/dbraw/zinc/70/40/71/1327704071.db2.gz FVLGJQCOAIRETB-WOJBJXKFSA-N 2 1 345.531 3.012 20 0 EGADMP C[N@@H+](CCC1CCCCC1)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027464870 1327716806 /nfs/dbraw/zinc/71/68/06/1327716806.db2.gz IMWVAPDOZHOTOX-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCCC1)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001027464870 1327716812 /nfs/dbraw/zinc/71/68/12/1327716812.db2.gz IMWVAPDOZHOTOX-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCCC1)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001027464870 1327716819 /nfs/dbraw/zinc/71/68/19/1327716819.db2.gz IMWVAPDOZHOTOX-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCCC2)C1 ZINC001027493446 1327754498 /nfs/dbraw/zinc/75/44/98/1327754498.db2.gz GLQDSFUOYSAEOW-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC001027493446 1327754508 /nfs/dbraw/zinc/75/45/08/1327754508.db2.gz GLQDSFUOYSAEOW-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001027579026 1327914830 /nfs/dbraw/zinc/91/48/30/1327914830.db2.gz AFEVXGRZTDTOQY-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CCC1CCCC1)C12CCC[NH+](CCC1)C2 ZINC001027963605 1328435068 /nfs/dbraw/zinc/43/50/68/1328435068.db2.gz BOUVLPJMOXKLAI-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CCCC1CCC1)c1ccn2c[nH+]cc2c1 ZINC001028002764 1328465173 /nfs/dbraw/zinc/46/51/73/1328465173.db2.gz HZUFLQOPGMKLMY-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028004256 1328466768 /nfs/dbraw/zinc/46/67/68/1328466768.db2.gz WQRSUNKQQNWFDR-QFBILLFUSA-N 2 1 348.450 3.290 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028048219 1328513365 /nfs/dbraw/zinc/51/33/65/1328513365.db2.gz AOIPYQLVAZSMGR-IBGZPJMESA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)CC[C@@H]([NH3+])c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000863661227 1329571796 /nfs/dbraw/zinc/57/17/96/1329571796.db2.gz KKTPJPFRFXDBMO-OAHLLOKOSA-N 2 1 332.448 3.113 20 0 EGADMP Cc1[nH+]ccn1CC[NH+]1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC000932627016 1329828921 /nfs/dbraw/zinc/82/89/21/1329828921.db2.gz WRDNPABHYRNARJ-UHFFFAOYSA-N 2 1 330.501 3.091 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932700794 1329835003 /nfs/dbraw/zinc/83/50/03/1329835003.db2.gz BAPQJFMPGRJLKB-IRXDYDNUSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932700794 1329835005 /nfs/dbraw/zinc/83/50/05/1329835005.db2.gz BAPQJFMPGRJLKB-IRXDYDNUSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932700794 1329835006 /nfs/dbraw/zinc/83/50/06/1329835006.db2.gz BAPQJFMPGRJLKB-IRXDYDNUSA-N 2 1 339.524 3.098 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000935050923 1330025564 /nfs/dbraw/zinc/02/55/64/1330025564.db2.gz KXFLWYIJGNIYGH-ACBHZAAOSA-N 2 1 335.536 3.019 20 0 EGADMP COc1ccccc1-c1nc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)co1 ZINC000866667264 1330139447 /nfs/dbraw/zinc/13/94/47/1330139447.db2.gz HEOUPSBQCKQRHA-KKUMJFAQSA-N 2 1 329.444 3.155 20 0 EGADMP COc1ccccc1-c1nc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)co1 ZINC000866667264 1330139450 /nfs/dbraw/zinc/13/94/50/1330139450.db2.gz HEOUPSBQCKQRHA-KKUMJFAQSA-N 2 1 329.444 3.155 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000941029613 1331300579 /nfs/dbraw/zinc/30/05/79/1331300579.db2.gz XVMBFFHYSFXNEY-IBGZPJMESA-N 2 1 345.531 3.031 20 0 EGADMP CCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941068082 1331318227 /nfs/dbraw/zinc/31/82/27/1331318227.db2.gz MDZYSIRORZWIPO-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941068082 1331318229 /nfs/dbraw/zinc/31/82/29/1331318229.db2.gz MDZYSIRORZWIPO-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941237091 1331401480 /nfs/dbraw/zinc/40/14/80/1331401480.db2.gz HLORQFOROXPGOD-IBGZPJMESA-N 2 1 345.531 3.235 20 0 EGADMP C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000942172695 1331859857 /nfs/dbraw/zinc/85/98/57/1331859857.db2.gz MBHOJSPFNCHITD-ZWKOTPCHSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[N@@H+](CCC2CCCC2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942558551 1331972968 /nfs/dbraw/zinc/97/29/68/1331972968.db2.gz YFYTXWIEQZADGF-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[N@H+](CCC2CCCCCC2)CC[C@H]1NC(=O)Cc1cnc[nH]1 ZINC000943175828 1332113839 /nfs/dbraw/zinc/11/38/39/1332113839.db2.gz IQTGVJWMLOZIAK-QFBILLFUSA-N 2 1 346.519 3.139 20 0 EGADMP C[C@H]1C[N@@H+](CCC2CCCCCC2)CC[C@H]1NC(=O)Cc1cnc[nH]1 ZINC000943175828 1332113841 /nfs/dbraw/zinc/11/38/41/1332113841.db2.gz IQTGVJWMLOZIAK-QFBILLFUSA-N 2 1 346.519 3.139 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCC3CCCC3)C[C@H]2C)CC1 ZINC000943756363 1332254510 /nfs/dbraw/zinc/25/45/10/1332254510.db2.gz OWTYLMQJMALXIR-QUCCMNQESA-N 2 1 349.563 3.125 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC3=CCCCC3)C[C@@H]2C)CC1 ZINC000943756178 1332254780 /nfs/dbraw/zinc/25/47/80/1332254780.db2.gz MDHRVBOXVVPMSU-ICSRJNTNSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944943308 1332459149 /nfs/dbraw/zinc/45/91/49/1332459149.db2.gz GPYATVKYUIGXPK-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)C1(C(=O)N2CC[C@H]3C[N@H+](CCC(C)(C)C)C[C@H]3CC2)CCC1 ZINC000946621357 1332864553 /nfs/dbraw/zinc/86/45/53/1332864553.db2.gz VVLZFEUGHRBHSA-HDICACEKSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808099 1332904678 /nfs/dbraw/zinc/90/46/78/1332904678.db2.gz IWRIGXDLXXSLEM-SLFFLAALSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@H+]1CC1CCC1 ZINC000947361603 1333103105 /nfs/dbraw/zinc/10/31/05/1333103105.db2.gz PXCCMBOQOUKMNB-YOEHRIQHSA-N 2 1 349.544 3.193 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@H+]1CCC1CC1 ZINC000947361805 1333103238 /nfs/dbraw/zinc/10/32/38/1333103238.db2.gz RLCSGFPENVLMTB-YOEHRIQHSA-N 2 1 349.544 3.193 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CC[N@@H+](CC3CCC3)[C@@H](C)C2)ccc2c[nH+]cn21 ZINC000947474331 1333142197 /nfs/dbraw/zinc/14/21/97/1333142197.db2.gz RFIFEWXSJMEFTB-WMLDXEAASA-N 2 1 340.471 3.026 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[N@@H+](CC3CCC3)[C@@H](C)C2)ccc2c[nH+]cn21 ZINC000947474332 1333142244 /nfs/dbraw/zinc/14/22/44/1333142244.db2.gz RFIFEWXSJMEFTB-YOEHRIQHSA-N 2 1 340.471 3.026 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947505722 1333149497 /nfs/dbraw/zinc/14/94/97/1333149497.db2.gz CZPBVRGSFPACAS-YJBOKZPZSA-N 2 1 342.487 3.353 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)[C@@H](C)C1 ZINC000947546344 1333167245 /nfs/dbraw/zinc/16/72/45/1333167245.db2.gz GHUSBNDJWHAWMN-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)[C@@H](C)C1 ZINC000947546344 1333167249 /nfs/dbraw/zinc/16/72/49/1333167249.db2.gz GHUSBNDJWHAWMN-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947569062 1333174938 /nfs/dbraw/zinc/17/49/38/1333174938.db2.gz RHVNOPVWWBSFEH-HKUYNNGSSA-N 2 1 345.531 3.029 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CC1CCCCC1 ZINC000947725702 1333241502 /nfs/dbraw/zinc/24/15/02/1333241502.db2.gz BXBDVIDCZNEQMJ-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC1CCCCC1 ZINC000947725702 1333241506 /nfs/dbraw/zinc/24/15/06/1333241506.db2.gz BXBDVIDCZNEQMJ-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CC1CCCCC1 ZINC000947725702 1333241507 /nfs/dbraw/zinc/24/15/07/1333241507.db2.gz BXBDVIDCZNEQMJ-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948055447 1333357172 /nfs/dbraw/zinc/35/71/72/1333357172.db2.gz CEJZLTAGJCYIQJ-PXNSSMCTSA-N 2 1 345.531 3.377 20 0 EGADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC000948245400 1333439679 /nfs/dbraw/zinc/43/96/79/1333439679.db2.gz QAWUHEVRSBKFLL-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](CCC2=CCCCC2)CC1 ZINC000948245400 1333439681 /nfs/dbraw/zinc/43/96/81/1333439681.db2.gz QAWUHEVRSBKFLL-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](CCC2=CCCCC2)CC1 ZINC000948245400 1333439683 /nfs/dbraw/zinc/43/96/83/1333439683.db2.gz QAWUHEVRSBKFLL-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC000948246641 1333440228 /nfs/dbraw/zinc/44/02/28/1333440228.db2.gz ZGRZIKIISJGYHJ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC000948246641 1333440231 /nfs/dbraw/zinc/44/02/31/1333440231.db2.gz ZGRZIKIISJGYHJ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC000948246641 1333440235 /nfs/dbraw/zinc/44/02/35/1333440235.db2.gz ZGRZIKIISJGYHJ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948374318 1333500348 /nfs/dbraw/zinc/50/03/48/1333500348.db2.gz UYBGLIUIRVUTSH-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000948374781 1333501219 /nfs/dbraw/zinc/50/12/19/1333501219.db2.gz YNUCBUUUDPDSJZ-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948435691 1333524000 /nfs/dbraw/zinc/52/40/00/1333524000.db2.gz NVMSQGJSLVDTEG-VQTJNVASSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435691 1333524002 /nfs/dbraw/zinc/52/40/02/1333524002.db2.gz NVMSQGJSLVDTEG-VQTJNVASSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435691 1333524005 /nfs/dbraw/zinc/52/40/05/1333524005.db2.gz NVMSQGJSLVDTEG-VQTJNVASSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948439017 1333525428 /nfs/dbraw/zinc/52/54/28/1333525428.db2.gz FUWPRYUXGGRXDG-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948439017 1333525433 /nfs/dbraw/zinc/52/54/33/1333525433.db2.gz FUWPRYUXGGRXDG-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948439017 1333525436 /nfs/dbraw/zinc/52/54/36/1333525436.db2.gz FUWPRYUXGGRXDG-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948439016 1333525570 /nfs/dbraw/zinc/52/55/70/1333525570.db2.gz FUWPRYUXGGRXDG-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948439016 1333525575 /nfs/dbraw/zinc/52/55/75/1333525575.db2.gz FUWPRYUXGGRXDG-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948439016 1333525577 /nfs/dbraw/zinc/52/55/77/1333525577.db2.gz FUWPRYUXGGRXDG-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473792 1333539542 /nfs/dbraw/zinc/53/95/42/1333539542.db2.gz LELRYXIOXOYFCP-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000948553920 1333572579 /nfs/dbraw/zinc/57/25/79/1333572579.db2.gz OGRNYZLLUJNJTC-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC000948553920 1333572580 /nfs/dbraw/zinc/57/25/80/1333572580.db2.gz OGRNYZLLUJNJTC-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC000948553920 1333572581 /nfs/dbraw/zinc/57/25/81/1333572581.db2.gz OGRNYZLLUJNJTC-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000948553824 1333572724 /nfs/dbraw/zinc/57/27/24/1333572724.db2.gz LWLMYVYEYQLPPD-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC000948553824 1333572725 /nfs/dbraw/zinc/57/27/25/1333572725.db2.gz LWLMYVYEYQLPPD-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC000948553824 1333572726 /nfs/dbraw/zinc/57/27/26/1333572726.db2.gz LWLMYVYEYQLPPD-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948594436 1333589317 /nfs/dbraw/zinc/58/93/17/1333589317.db2.gz MENNHKLHFNDQCV-IAGOWNOFSA-N 2 1 346.450 3.009 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620879 1333599680 /nfs/dbraw/zinc/59/96/80/1333599680.db2.gz KABXACCKPPVFSL-NVXWUHKLSA-N 2 1 346.450 3.009 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC000948775515 1333674552 /nfs/dbraw/zinc/67/45/52/1333674552.db2.gz KIOFNDJSODASOV-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC000948775515 1333674555 /nfs/dbraw/zinc/67/45/55/1333674555.db2.gz KIOFNDJSODASOV-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000948775515 1333674560 /nfs/dbraw/zinc/67/45/60/1333674560.db2.gz KIOFNDJSODASOV-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)Cc1ncc[nH]1)[C@@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC000948886897 1333719418 /nfs/dbraw/zinc/71/94/18/1333719418.db2.gz SGTIFZOKBHTQFP-GOSISDBHSA-N 2 1 346.519 3.236 20 0 EGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3cc(Br)cnc32)CC1 ZINC001205124553 1370658242 /nfs/dbraw/zinc/65/82/42/1370658242.db2.gz VDXVETMHXXJRLJ-OAHLLOKOSA-N 2 1 334.261 3.311 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000968733187 1336030298 /nfs/dbraw/zinc/03/02/98/1336030298.db2.gz ZHNZUZDFVGOTEN-FUHWJXTLSA-N 2 1 346.519 3.167 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000968851772 1336067396 /nfs/dbraw/zinc/06/73/96/1336067396.db2.gz ZCRBVMGDEVHRTG-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCC1 ZINC000968882012 1336078118 /nfs/dbraw/zinc/07/81/18/1336078118.db2.gz DZHPHNACAHSDGE-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCCC1 ZINC000968882012 1336078120 /nfs/dbraw/zinc/07/81/20/1336078120.db2.gz DZHPHNACAHSDGE-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCCC1 ZINC000968882012 1336078122 /nfs/dbraw/zinc/07/81/22/1336078122.db2.gz DZHPHNACAHSDGE-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCCC1 ZINC000968882013 1336078399 /nfs/dbraw/zinc/07/83/99/1336078399.db2.gz DZHPHNACAHSDGE-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCCC1 ZINC000968882013 1336078402 /nfs/dbraw/zinc/07/84/02/1336078402.db2.gz DZHPHNACAHSDGE-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCCC1 ZINC000968882013 1336078405 /nfs/dbraw/zinc/07/84/05/1336078405.db2.gz DZHPHNACAHSDGE-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[N@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968936940 1336096329 /nfs/dbraw/zinc/09/63/29/1336096329.db2.gz VLZHSOVHNXNSNN-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000969170712 1336170626 /nfs/dbraw/zinc/17/06/26/1336170626.db2.gz UVXPDDTVLBFNPS-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005503253 1336363079 /nfs/dbraw/zinc/36/30/79/1336363079.db2.gz JKDWVNMGWDMEGC-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001005874220 1336414274 /nfs/dbraw/zinc/41/42/74/1336414274.db2.gz WASUVFPEKXSEKO-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCC2CCCCCC2)CC1 ZINC001006397964 1336499254 /nfs/dbraw/zinc/49/92/54/1336499254.db2.gz BZLDXYWAJGICIP-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001006443388 1336507119 /nfs/dbraw/zinc/50/71/19/1336507119.db2.gz CJAXJSUVJBGJHW-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001006444012 1336507103 /nfs/dbraw/zinc/50/71/03/1336507103.db2.gz PDGMULVUMMURKM-HDICACEKSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007500150 1336658861 /nfs/dbraw/zinc/65/88/61/1336658861.db2.gz QYXIUDFYJJJUKO-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001007500150 1336658863 /nfs/dbraw/zinc/65/88/63/1336658863.db2.gz QYXIUDFYJJJUKO-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001007500150 1336658864 /nfs/dbraw/zinc/65/88/64/1336658864.db2.gz QYXIUDFYJJJUKO-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001007748996 1336694412 /nfs/dbraw/zinc/69/44/12/1336694412.db2.gz TVYOQUCECLGWQL-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001007748996 1336694414 /nfs/dbraw/zinc/69/44/14/1336694414.db2.gz TVYOQUCECLGWQL-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001007748996 1336694417 /nfs/dbraw/zinc/69/44/17/1336694417.db2.gz TVYOQUCECLGWQL-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCCC2CCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001008053098 1336759422 /nfs/dbraw/zinc/75/94/22/1336759422.db2.gz RFNWNJYNUFVFPG-VQTJNVASSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001008162942 1336782918 /nfs/dbraw/zinc/78/29/18/1336782918.db2.gz NORIMXFUCRGWMV-LJQANCHMSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](CCC(C)(C)C)C2)C1 ZINC001008267642 1336810450 /nfs/dbraw/zinc/81/04/50/1336810450.db2.gz BUKKPZFOLWKCMI-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@H+](CCC(C)(C)C)C2)C1 ZINC001008267642 1336810451 /nfs/dbraw/zinc/81/04/51/1336810451.db2.gz BUKKPZFOLWKCMI-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001008267642 1336810452 /nfs/dbraw/zinc/81/04/52/1336810452.db2.gz BUKKPZFOLWKCMI-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC3CCCCCC3)C2)CC1 ZINC001008403227 1336843461 /nfs/dbraw/zinc/84/34/61/1336843461.db2.gz FFKWQEWXYJDQHT-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001008531861 1336876868 /nfs/dbraw/zinc/87/68/68/1336876868.db2.gz MPOKEIQGMZLDCX-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001008531861 1336876871 /nfs/dbraw/zinc/87/68/71/1336876871.db2.gz MPOKEIQGMZLDCX-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001008531861 1336876875 /nfs/dbraw/zinc/87/68/75/1336876875.db2.gz MPOKEIQGMZLDCX-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001008530312 1336876891 /nfs/dbraw/zinc/87/68/91/1336876891.db2.gz IXGVDAOIKWTWQT-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001008530312 1336876895 /nfs/dbraw/zinc/87/68/95/1336876895.db2.gz IXGVDAOIKWTWQT-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001008530312 1336876897 /nfs/dbraw/zinc/87/68/97/1336876897.db2.gz IXGVDAOIKWTWQT-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CCC3CCCCC3)C2)C1 ZINC001008551355 1336879866 /nfs/dbraw/zinc/87/98/66/1336879866.db2.gz OYINZDSLGDDLEW-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCC3CCCCC3)C2)C1 ZINC001008551355 1336879869 /nfs/dbraw/zinc/87/98/69/1336879869.db2.gz OYINZDSLGDDLEW-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001008551355 1336879872 /nfs/dbraw/zinc/87/98/72/1336879872.db2.gz OYINZDSLGDDLEW-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001008553597 1336880258 /nfs/dbraw/zinc/88/02/58/1336880258.db2.gz VMMHPRHUDGJJFE-HKUYNNGSSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001008553597 1336880260 /nfs/dbraw/zinc/88/02/60/1336880260.db2.gz VMMHPRHUDGJJFE-HKUYNNGSSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001008553597 1336880261 /nfs/dbraw/zinc/88/02/61/1336880261.db2.gz VMMHPRHUDGJJFE-HKUYNNGSSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001008763758 1336922682 /nfs/dbraw/zinc/92/26/82/1336922682.db2.gz ANXRLFKQTCSWSN-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001008763758 1336922685 /nfs/dbraw/zinc/92/26/85/1336922685.db2.gz ANXRLFKQTCSWSN-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001008763758 1336922686 /nfs/dbraw/zinc/92/26/86/1336922686.db2.gz ANXRLFKQTCSWSN-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001009512093 1337033234 /nfs/dbraw/zinc/03/32/34/1337033234.db2.gz AJFAQWRJQUZWBD-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP CC1CCC(C[N@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001014423568 1337773395 /nfs/dbraw/zinc/77/33/95/1337773395.db2.gz KAVXRTOFJXRPGE-CTWPCTMYSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001014705362 1337876499 /nfs/dbraw/zinc/87/64/99/1337876499.db2.gz OWAOVDFHYCOCAA-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CCCC3CCCC3)C2)C1 ZINC001014705362 1337876505 /nfs/dbraw/zinc/87/65/05/1337876505.db2.gz OWAOVDFHYCOCAA-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001014705362 1337876507 /nfs/dbraw/zinc/87/65/07/1337876507.db2.gz OWAOVDFHYCOCAA-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015291558 1338086472 /nfs/dbraw/zinc/08/64/72/1338086472.db2.gz SVLUDXSVYJNIKH-ICSRJNTNSA-N 2 1 348.450 3.290 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CCCC2CCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001015387994 1338120950 /nfs/dbraw/zinc/12/09/50/1338120950.db2.gz OHNCMHBNVIRKGC-PMACEKPBSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1)[NH+]1CCCC1 ZINC001015506876 1338161871 /nfs/dbraw/zinc/16/18/71/1338161871.db2.gz ZSHDRUUDCQQMCL-GOSISDBHSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001015793963 1338313276 /nfs/dbraw/zinc/31/32/76/1338313276.db2.gz DIXNVXCRZBXMEN-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001015793963 1338313279 /nfs/dbraw/zinc/31/32/79/1338313279.db2.gz DIXNVXCRZBXMEN-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001015793963 1338313280 /nfs/dbraw/zinc/31/32/80/1338313280.db2.gz DIXNVXCRZBXMEN-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015796221 1338315506 /nfs/dbraw/zinc/31/55/06/1338315506.db2.gz WCTCWYIXBQYSIT-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016611693 1338663764 /nfs/dbraw/zinc/66/37/64/1338663764.db2.gz FEDGANMCTRONSL-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(CC)CC)CC2 ZINC001016652018 1338679051 /nfs/dbraw/zinc/67/90/51/1338679051.db2.gz NIHGZEKRHJWQNC-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016652999 1338679709 /nfs/dbraw/zinc/67/97/09/1338679709.db2.gz YEKDJRCZZHBTHV-MSOLQXFVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016661194 1338682517 /nfs/dbraw/zinc/68/25/17/1338682517.db2.gz DHHFQWZTMRSAAA-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001016830766 1338740368 /nfs/dbraw/zinc/74/03/68/1338740368.db2.gz VIVZCCIMTZWRTM-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCCC2)C1)C1CCC1 ZINC001017143033 1338895106 /nfs/dbraw/zinc/89/51/06/1338895106.db2.gz RBAOQCSKDMBBNP-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001017143033 1338895112 /nfs/dbraw/zinc/89/51/12/1338895112.db2.gz RBAOQCSKDMBBNP-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001017143033 1338895118 /nfs/dbraw/zinc/89/51/18/1338895118.db2.gz RBAOQCSKDMBBNP-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001017194201 1338939507 /nfs/dbraw/zinc/93/95/07/1338939507.db2.gz QYCQMAHDHVNYIJ-UYAOXDASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001017194201 1338939510 /nfs/dbraw/zinc/93/95/10/1338939510.db2.gz QYCQMAHDHVNYIJ-UYAOXDASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001017194201 1338939513 /nfs/dbraw/zinc/93/95/13/1338939513.db2.gz QYCQMAHDHVNYIJ-UYAOXDASSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001017696306 1339393437 /nfs/dbraw/zinc/39/34/37/1339393437.db2.gz QQYUQCRXFBPELQ-ZCNNSNEGSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001017696306 1339393440 /nfs/dbraw/zinc/39/34/40/1339393440.db2.gz QQYUQCRXFBPELQ-ZCNNSNEGSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001017696306 1339393444 /nfs/dbraw/zinc/39/34/44/1339393444.db2.gz QQYUQCRXFBPELQ-ZCNNSNEGSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001018837790 1339735721 /nfs/dbraw/zinc/73/57/21/1339735721.db2.gz RCMJYRMGWZQHDI-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093305 1340421749 /nfs/dbraw/zinc/42/17/49/1340421749.db2.gz JTUYOMBFGSVUMH-RBUKOAKNSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093305 1340421752 /nfs/dbraw/zinc/42/17/52/1340421752.db2.gz JTUYOMBFGSVUMH-RBUKOAKNSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093305 1340421755 /nfs/dbraw/zinc/42/17/55/1340421755.db2.gz JTUYOMBFGSVUMH-RBUKOAKNSA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CC(C)(C)C1 ZINC001028181493 1340472155 /nfs/dbraw/zinc/47/21/55/1340472155.db2.gz UGZSXBUQTWRHJZ-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001028181493 1340472157 /nfs/dbraw/zinc/47/21/57/1340472157.db2.gz UGZSXBUQTWRHJZ-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC001028181493 1340472158 /nfs/dbraw/zinc/47/21/58/1340472158.db2.gz UGZSXBUQTWRHJZ-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028235486 1340497163 /nfs/dbraw/zinc/49/71/63/1340497163.db2.gz YXUJRFZEKLNMBT-IBGZPJMESA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001028635811 1340737799 /nfs/dbraw/zinc/73/77/99/1340737799.db2.gz GUGOVUJLHSHIJX-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001028635811 1340737801 /nfs/dbraw/zinc/73/78/01/1340737801.db2.gz GUGOVUJLHSHIJX-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001028635811 1340737804 /nfs/dbraw/zinc/73/78/04/1340737804.db2.gz GUGOVUJLHSHIJX-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(NC[C@@H]1CC[N@@H+](CCC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001028658637 1340744284 /nfs/dbraw/zinc/74/42/84/1340744284.db2.gz BMTKKBNYCHFKPH-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001028692923 1340760920 /nfs/dbraw/zinc/76/09/20/1340760920.db2.gz DRCQSLJOTBEASQ-IRXDYDNUSA-N 2 1 348.450 3.147 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+](CCC3CCCCC3)C2)CC[N@H+]1C ZINC001028761942 1340797306 /nfs/dbraw/zinc/79/73/06/1340797306.db2.gz CRMPGLYYZOIBOO-IHPCNDPISA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001028761942 1340797310 /nfs/dbraw/zinc/79/73/10/1340797310.db2.gz CRMPGLYYZOIBOO-IHPCNDPISA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001028761942 1340797312 /nfs/dbraw/zinc/79/73/12/1340797312.db2.gz CRMPGLYYZOIBOO-IHPCNDPISA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001028844772 1340856410 /nfs/dbraw/zinc/85/64/10/1340856410.db2.gz CECSEUJKNYLNMC-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001028844772 1340856413 /nfs/dbraw/zinc/85/64/13/1340856413.db2.gz CECSEUJKNYLNMC-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001028844772 1340856416 /nfs/dbraw/zinc/85/64/16/1340856416.db2.gz CECSEUJKNYLNMC-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001029065555 1340922165 /nfs/dbraw/zinc/92/21/65/1340922165.db2.gz HSJUFOOPCAQSPG-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029099892 1340930008 /nfs/dbraw/zinc/93/00/08/1340930008.db2.gz XWXJVXWJVNWLBH-YLJYHZDGSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001029154796 1340944787 /nfs/dbraw/zinc/94/47/87/1340944787.db2.gz PRZKTMKOZNKLFK-YLJYHZDGSA-N 2 1 349.563 3.266 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001029359685 1340977235 /nfs/dbraw/zinc/97/72/35/1340977235.db2.gz HDOURUWBNPYVMV-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001029359685 1340977236 /nfs/dbraw/zinc/97/72/36/1340977236.db2.gz HDOURUWBNPYVMV-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001029359685 1340977237 /nfs/dbraw/zinc/97/72/37/1340977237.db2.gz HDOURUWBNPYVMV-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)C1 ZINC001029553629 1341011333 /nfs/dbraw/zinc/01/13/33/1341011333.db2.gz XCPANTXBGQBIAD-HCXYKTFWSA-N 2 1 349.563 3.218 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001029596272 1341018625 /nfs/dbraw/zinc/01/86/25/1341018625.db2.gz HOIMKHOHVBZNHW-HSALFYBXSA-N 2 1 345.531 3.036 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001029596272 1341018626 /nfs/dbraw/zinc/01/86/26/1341018626.db2.gz HOIMKHOHVBZNHW-HSALFYBXSA-N 2 1 345.531 3.036 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001029596272 1341018627 /nfs/dbraw/zinc/01/86/27/1341018627.db2.gz HOIMKHOHVBZNHW-HSALFYBXSA-N 2 1 345.531 3.036 20 0 EGADMP C[N@@H+](C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1)CC1CCCCC1 ZINC001029759017 1341064529 /nfs/dbraw/zinc/06/45/29/1341064529.db2.gz JNYDWPUIVSTWJV-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1)CC1CCCCC1 ZINC001029759017 1341064531 /nfs/dbraw/zinc/06/45/31/1341064531.db2.gz JNYDWPUIVSTWJV-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1)CC1CCCCC1 ZINC001029759017 1341064533 /nfs/dbraw/zinc/06/45/33/1341064533.db2.gz JNYDWPUIVSTWJV-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001029758843 1341064725 /nfs/dbraw/zinc/06/47/25/1341064725.db2.gz GRGANAUYWUFZOS-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001029758843 1341064726 /nfs/dbraw/zinc/06/47/26/1341064726.db2.gz GRGANAUYWUFZOS-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001029758843 1341064727 /nfs/dbraw/zinc/06/47/27/1341064727.db2.gz GRGANAUYWUFZOS-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001029973864 1341140533 /nfs/dbraw/zinc/14/05/33/1341140533.db2.gz QUFZSZKGXOVDBT-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001029973864 1341140534 /nfs/dbraw/zinc/14/05/34/1341140534.db2.gz QUFZSZKGXOVDBT-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001029973864 1341140536 /nfs/dbraw/zinc/14/05/36/1341140536.db2.gz QUFZSZKGXOVDBT-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030033215 1341162349 /nfs/dbraw/zinc/16/23/49/1341162349.db2.gz OOZQPBNYCROQSR-UFYCRDLUSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030033215 1341162350 /nfs/dbraw/zinc/16/23/50/1341162350.db2.gz OOZQPBNYCROQSR-UFYCRDLUSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030033215 1341162351 /nfs/dbraw/zinc/16/23/51/1341162351.db2.gz OOZQPBNYCROQSR-UFYCRDLUSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030033215 1341162352 /nfs/dbraw/zinc/16/23/52/1341162352.db2.gz OOZQPBNYCROQSR-UFYCRDLUSA-N 2 1 343.515 3.203 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCCCC2)C1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001030306089 1341177721 /nfs/dbraw/zinc/17/77/21/1341177721.db2.gz KATPQWZHURSHIY-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)(C(=O)NC1C[NH+](CCC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001030313074 1341178077 /nfs/dbraw/zinc/17/80/77/1341178077.db2.gz PGXRUEIDZPYTMC-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1C[NH+](CC2CCCCCC2)C1 ZINC001030441808 1341187699 /nfs/dbraw/zinc/18/76/99/1341187699.db2.gz GSTBKFFWGYBJOS-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CC(NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001030445456 1341188095 /nfs/dbraw/zinc/18/80/95/1341188095.db2.gz ZYNQQEASYVBGFH-YLJYHZDGSA-N 2 1 343.515 3.119 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CC(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001030445456 1341188096 /nfs/dbraw/zinc/18/80/96/1341188096.db2.gz ZYNQQEASYVBGFH-YLJYHZDGSA-N 2 1 343.515 3.119 20 0 EGADMP C[C@@H](C(=O)NC1C[NH+](CCC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001031045313 1341269191 /nfs/dbraw/zinc/26/91/91/1341269191.db2.gz LAYLNAOVTCRCLH-KRWDZBQOSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H](C(=O)NC1C[NH+](CCCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001031045378 1341269247 /nfs/dbraw/zinc/26/92/47/1341269247.db2.gz MHUIKFAYZBPHAT-KRWDZBQOSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC2C[NH+](CCCC3CCCC3)C2)cc1 ZINC001031104559 1341278068 /nfs/dbraw/zinc/27/80/68/1341278068.db2.gz VWZMRWSMEFYQLW-UHFFFAOYSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001031667160 1341385613 /nfs/dbraw/zinc/38/56/13/1341385613.db2.gz ZYAVPGHLSUZLEU-IBGZPJMESA-N 2 1 349.563 3.124 20 0 EGADMP O=C(NCC1C[NH+](CCC2CCCCC2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001031766346 1341398790 /nfs/dbraw/zinc/39/87/90/1341398790.db2.gz GHWGIOXXFTXDPQ-WOJBJXKFSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCC2CCCCC2)C1 ZINC001032026281 1341441762 /nfs/dbraw/zinc/44/17/62/1341441762.db2.gz BRKGGZCKCDWTLO-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCC2CCCC2)C1 ZINC001032119003 1341458728 /nfs/dbraw/zinc/45/87/28/1341458728.db2.gz DZZQBUKNMQSOST-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032609740 1341558052 /nfs/dbraw/zinc/55/80/52/1341558052.db2.gz ICBLNOXIYQBYHK-VNTMZGSJSA-N 2 1 343.515 3.009 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1=CCCCC1 ZINC001032801339 1341618253 /nfs/dbraw/zinc/61/82/53/1341618253.db2.gz QYJBDEKIDYYHDG-PMACEKPBSA-N 2 1 345.531 3.038 20 0 EGADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001033467704 1341837778 /nfs/dbraw/zinc/83/77/78/1341837778.db2.gz QNZGQRJKMFYLAZ-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CC1CCC(C[N@H+]2CC[C@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001033473515 1341840815 /nfs/dbraw/zinc/84/08/15/1341840815.db2.gz ALKVWOAGVJSJRN-UUKMXZOPSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001033549596 1341867309 /nfs/dbraw/zinc/86/73/09/1341867309.db2.gz CKUTZEJXKJWRPD-GOSISDBHSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001034046889 1342185793 /nfs/dbraw/zinc/18/57/93/1342185793.db2.gz VVASSCKNHNFYDU-HXUWFJFHSA-N 2 1 343.515 3.085 20 0 EGADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC001034046736 1342185821 /nfs/dbraw/zinc/18/58/21/1342185821.db2.gz VABCTIMGQLHLDF-LPHOPBHVSA-N 2 1 349.494 3.033 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034203612 1342314530 /nfs/dbraw/zinc/31/45/30/1342314530.db2.gz FUUPVPOYTQXQHC-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034203612 1342314532 /nfs/dbraw/zinc/31/45/32/1342314532.db2.gz FUUPVPOYTQXQHC-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034203612 1342314536 /nfs/dbraw/zinc/31/45/36/1342314536.db2.gz FUUPVPOYTQXQHC-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCCC[N@H+](CCC2CC2)C1 ZINC001034229419 1342334179 /nfs/dbraw/zinc/33/41/79/1342334179.db2.gz QHQNPHMFRSQGIF-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCCC[N@@H+](CCC2CC2)C1 ZINC001034229419 1342334183 /nfs/dbraw/zinc/33/41/83/1342334183.db2.gz QHQNPHMFRSQGIF-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034238479 1342339640 /nfs/dbraw/zinc/33/96/40/1342339640.db2.gz CQMKEOMYQIFZID-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCCCC2)C1 ZINC001034238479 1342339643 /nfs/dbraw/zinc/33/96/43/1342339643.db2.gz CQMKEOMYQIFZID-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCCC2)C1 ZINC001034238479 1342339646 /nfs/dbraw/zinc/33/96/46/1342339646.db2.gz CQMKEOMYQIFZID-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034240506 1342341020 /nfs/dbraw/zinc/34/10/20/1342341020.db2.gz QMVSHQJAQJIWDZ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034240506 1342341023 /nfs/dbraw/zinc/34/10/23/1342341023.db2.gz QMVSHQJAQJIWDZ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034240506 1342341028 /nfs/dbraw/zinc/34/10/28/1342341028.db2.gz QMVSHQJAQJIWDZ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034273032 1342363584 /nfs/dbraw/zinc/36/35/84/1342363584.db2.gz YYQIATLFBCPYGZ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034273032 1342363587 /nfs/dbraw/zinc/36/35/87/1342363587.db2.gz YYQIATLFBCPYGZ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034273032 1342363590 /nfs/dbraw/zinc/36/35/90/1342363590.db2.gz YYQIATLFBCPYGZ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034273032 1342363594 /nfs/dbraw/zinc/36/35/94/1342363594.db2.gz YYQIATLFBCPYGZ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034308583 1342391672 /nfs/dbraw/zinc/39/16/72/1342391672.db2.gz CUPITYXNLCZLSL-KRWDZBQOSA-N 2 1 342.487 3.355 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](CCC(C)(C)C)C2)CC[N@H+]1C ZINC001034364104 1342434477 /nfs/dbraw/zinc/43/44/77/1342434477.db2.gz QTNZTRQXRYGYDD-BZSNNMDCSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCC(C)(C)C)C2)CC[NH+]1C ZINC001034364104 1342434478 /nfs/dbraw/zinc/43/44/78/1342434478.db2.gz QTNZTRQXRYGYDD-BZSNNMDCSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCC(C)(C)C)C2)CC[NH+]1C ZINC001034364104 1342434480 /nfs/dbraw/zinc/43/44/80/1342434480.db2.gz QTNZTRQXRYGYDD-BZSNNMDCSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCCC3)C2)C1 ZINC001034367109 1342437566 /nfs/dbraw/zinc/43/75/66/1342437566.db2.gz DACHGEDESXIDKU-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CC3CCCC3)C2)C1 ZINC001034367109 1342437569 /nfs/dbraw/zinc/43/75/69/1342437569.db2.gz DACHGEDESXIDKU-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CC3CCCC3)C2)C1 ZINC001034367109 1342437572 /nfs/dbraw/zinc/43/75/72/1342437572.db2.gz DACHGEDESXIDKU-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCCC3)C2)C1 ZINC001034367107 1342437783 /nfs/dbraw/zinc/43/77/83/1342437783.db2.gz DACHGEDESXIDKU-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCCC[N@H+](CC3CCCC3)C2)C1 ZINC001034367107 1342437786 /nfs/dbraw/zinc/43/77/86/1342437786.db2.gz DACHGEDESXIDKU-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CC3CCCC3)C2)C1 ZINC001034367107 1342437787 /nfs/dbraw/zinc/43/77/87/1342437787.db2.gz DACHGEDESXIDKU-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034436775 1342499271 /nfs/dbraw/zinc/49/92/71/1342499271.db2.gz CGNVVJVLSVVVNH-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CC2)C1 ZINC001034436775 1342499274 /nfs/dbraw/zinc/49/92/74/1342499274.db2.gz CGNVVJVLSVVVNH-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CC2)C1 ZINC001034436775 1342499277 /nfs/dbraw/zinc/49/92/77/1342499277.db2.gz CGNVVJVLSVVVNH-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034440008 1342501879 /nfs/dbraw/zinc/50/18/79/1342501879.db2.gz YIFVQYCBBXIQLL-OALUTQOASA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445031 1342505220 /nfs/dbraw/zinc/50/52/20/1342505220.db2.gz PGDHTBVOCDIBTI-HXUWFJFHSA-N 2 1 345.531 3.379 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCCC)C1 ZINC001034481134 1342538526 /nfs/dbraw/zinc/53/85/26/1342538526.db2.gz QURGPKNVEDEQOW-RBUKOAKNSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCCC)C1 ZINC001034481134 1342538528 /nfs/dbraw/zinc/53/85/28/1342538528.db2.gz QURGPKNVEDEQOW-RBUKOAKNSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCC)C1 ZINC001034481134 1342538530 /nfs/dbraw/zinc/53/85/30/1342538530.db2.gz QURGPKNVEDEQOW-RBUKOAKNSA-N 2 1 337.552 3.412 20 0 EGADMP CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001034715497 1342710872 /nfs/dbraw/zinc/71/08/72/1342710872.db2.gz MMBABIPWICXBTH-ZHALLVOQSA-N 2 1 335.536 3.211 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001035071590 1342911710 /nfs/dbraw/zinc/91/17/10/1342911710.db2.gz YXHHJMKDYGWENJ-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001035102155 1342927356 /nfs/dbraw/zinc/92/73/56/1342927356.db2.gz KLMPGHXIIZICBX-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C(C)C)CC2 ZINC001035232616 1343054246 /nfs/dbraw/zinc/05/42/46/1343054246.db2.gz DFNSTLNKGPKUDA-UHFFFAOYSA-N 2 1 346.519 3.121 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C(C)C)CC2 ZINC001035232616 1343054253 /nfs/dbraw/zinc/05/42/53/1343054253.db2.gz DFNSTLNKGPKUDA-UHFFFAOYSA-N 2 1 346.519 3.121 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](CC=C(C)C)C2)CC1 ZINC001035260164 1343087023 /nfs/dbraw/zinc/08/70/23/1343087023.db2.gz QIIVYMHPDJYFKL-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CC=C(C)C)C2)CC1 ZINC001035260164 1343087027 /nfs/dbraw/zinc/08/70/27/1343087027.db2.gz QIIVYMHPDJYFKL-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035721633 1343152148 /nfs/dbraw/zinc/15/21/48/1343152148.db2.gz XOCXJQXVZUAVDG-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035810514 1343210174 /nfs/dbraw/zinc/21/01/74/1343210174.db2.gz NKVZTXKMXKRPCH-LJQANCHMSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CC1CC1 ZINC001036581652 1343564455 /nfs/dbraw/zinc/56/44/55/1343564455.db2.gz VLQZFAWWOOOSJY-FUHWJXTLSA-N 2 1 346.519 3.023 20 0 EGADMP CC[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001037861347 1344146403 /nfs/dbraw/zinc/14/64/03/1344146403.db2.gz QXZIMVCYFTXOQI-HKUYNNGSSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@H]2CNC(=O)c2ccn3c[nH+]cc3c2)c1 ZINC001038464249 1344434998 /nfs/dbraw/zinc/43/49/98/1344434998.db2.gz CEJURCFANKLAIE-APWZRJJASA-N 2 1 348.450 3.208 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140092 1344820114 /nfs/dbraw/zinc/82/01/14/1344820114.db2.gz QLTGOTYIGVCTED-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039140092 1344820118 /nfs/dbraw/zinc/82/01/18/1344820118.db2.gz QLTGOTYIGVCTED-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039140092 1344820123 /nfs/dbraw/zinc/82/01/23/1344820123.db2.gz QLTGOTYIGVCTED-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039150598 1344834170 /nfs/dbraw/zinc/83/41/70/1344834170.db2.gz ACHGWSIXFIPLNS-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC001039150598 1344834175 /nfs/dbraw/zinc/83/41/75/1344834175.db2.gz ACHGWSIXFIPLNS-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC001039150598 1344834179 /nfs/dbraw/zinc/83/41/79/1344834179.db2.gz ACHGWSIXFIPLNS-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241780 1344967848 /nfs/dbraw/zinc/96/78/48/1344967848.db2.gz IIWPGSWOIOZVCT-VQTJNVASSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001039282990 1344995724 /nfs/dbraw/zinc/99/57/24/1344995724.db2.gz YMPUNQBDXYTACB-IPQPSQTFSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001039288960 1344998031 /nfs/dbraw/zinc/99/80/31/1344998031.db2.gz LFJHXZUIPUJFDV-QZNYNHHHSA-N 2 1 347.547 3.304 20 0 EGADMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001039289649 1344998554 /nfs/dbraw/zinc/99/85/54/1344998554.db2.gz WNEDHWJZVQQOEQ-HRVKUGKESA-N 2 1 335.536 3.161 20 0 EGADMP CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001039447431 1345071760 /nfs/dbraw/zinc/07/17/60/1345071760.db2.gz MJLRLKODGPSQBO-MSOLQXFVSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001039447431 1345071762 /nfs/dbraw/zinc/07/17/62/1345071762.db2.gz MJLRLKODGPSQBO-MSOLQXFVSA-N 2 1 346.519 3.118 20 0 EGADMP CCc1nccn1[C@@H](C)CC(=O)N1CCC([N@@H+](CC)CC2CC2)CC1 ZINC001039486015 1345104047 /nfs/dbraw/zinc/10/40/47/1345104047.db2.gz XKFDCJZMHZZQSB-INIZCTEOSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC([N@H+](CC)CC2CC2)CC1 ZINC001039486015 1345104052 /nfs/dbraw/zinc/10/40/52/1345104052.db2.gz XKFDCJZMHZZQSB-INIZCTEOSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC([N@@H+](CC)CC2CC2)CC1 ZINC001039486015 1345104055 /nfs/dbraw/zinc/10/40/55/1345104055.db2.gz XKFDCJZMHZZQSB-INIZCTEOSA-N 2 1 346.519 3.120 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001039528971 1345131572 /nfs/dbraw/zinc/13/15/72/1345131572.db2.gz VIUKQSAYDJKRGB-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001039528971 1345131576 /nfs/dbraw/zinc/13/15/76/1345131576.db2.gz VIUKQSAYDJKRGB-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCCCC1 ZINC001039528971 1345131578 /nfs/dbraw/zinc/13/15/78/1345131578.db2.gz VIUKQSAYDJKRGB-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001039652648 1345153245 /nfs/dbraw/zinc/15/32/45/1345153245.db2.gz ITTJGCAMWIYINB-GBESFXJTSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001039652648 1345153247 /nfs/dbraw/zinc/15/32/47/1345153247.db2.gz ITTJGCAMWIYINB-GBESFXJTSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001039652648 1345153251 /nfs/dbraw/zinc/15/32/51/1345153251.db2.gz ITTJGCAMWIYINB-GBESFXJTSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCCC1)[NH+](C)C ZINC001039658267 1345153787 /nfs/dbraw/zinc/15/37/87/1345153787.db2.gz CNIIZSHQXWNYLS-ZCNNSNEGSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040240046 1345390058 /nfs/dbraw/zinc/39/00/58/1345390058.db2.gz CFCZCCVTNSXJSX-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040240046 1345390060 /nfs/dbraw/zinc/39/00/60/1345390060.db2.gz CFCZCCVTNSXJSX-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040240046 1345390064 /nfs/dbraw/zinc/39/00/64/1345390064.db2.gz CFCZCCVTNSXJSX-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040242221 1345393114 /nfs/dbraw/zinc/39/31/14/1345393114.db2.gz XGZGWJBKNDETOL-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001040242221 1345393119 /nfs/dbraw/zinc/39/31/19/1345393119.db2.gz XGZGWJBKNDETOL-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001040242221 1345393121 /nfs/dbraw/zinc/39/31/21/1345393121.db2.gz XGZGWJBKNDETOL-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275159 1345407591 /nfs/dbraw/zinc/40/75/91/1345407591.db2.gz JADCASWQXQFYJC-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040275159 1345407596 /nfs/dbraw/zinc/40/75/96/1345407596.db2.gz JADCASWQXQFYJC-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040275159 1345407601 /nfs/dbraw/zinc/40/76/01/1345407601.db2.gz JADCASWQXQFYJC-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040327612 1345434000 /nfs/dbraw/zinc/43/40/00/1345434000.db2.gz GGYNKMNVGPIWHY-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040355292 1345450899 /nfs/dbraw/zinc/45/08/99/1345450899.db2.gz ALSGHBYIFSRUEP-HXUWFJFHSA-N 2 1 347.503 3.069 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](C(C)C)C2 ZINC001040487733 1345516946 /nfs/dbraw/zinc/51/69/46/1345516946.db2.gz GQKFSFXHSRNGRG-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C(C)C)C2 ZINC001040487733 1345516947 /nfs/dbraw/zinc/51/69/47/1345516947.db2.gz GQKFSFXHSRNGRG-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040487733 1345516949 /nfs/dbraw/zinc/51/69/49/1345516949.db2.gz GQKFSFXHSRNGRG-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040543623 1345539484 /nfs/dbraw/zinc/53/94/84/1345539484.db2.gz PVZBRZRNKXTYNB-OAQYLSRUSA-N 2 1 347.547 3.143 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](C(C)C)C2)[NH+]1CCCCC1 ZINC001040545069 1345539927 /nfs/dbraw/zinc/53/99/27/1345539927.db2.gz MKSCYJMFEPCHJN-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040701729 1345567830 /nfs/dbraw/zinc/56/78/30/1345567830.db2.gz OLNJWVSESIGIBS-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)CC1 ZINC001040755528 1345575351 /nfs/dbraw/zinc/57/53/51/1345575351.db2.gz UIDVGCAQTHGZRN-UHFFFAOYSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041373871 1345711618 /nfs/dbraw/zinc/71/16/18/1345711618.db2.gz YPJXNPMYWDREKD-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001041373871 1345711619 /nfs/dbraw/zinc/71/16/19/1345711619.db2.gz YPJXNPMYWDREKD-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001041373871 1345711624 /nfs/dbraw/zinc/71/16/24/1345711624.db2.gz YPJXNPMYWDREKD-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041373399 1345711873 /nfs/dbraw/zinc/71/18/73/1345711873.db2.gz UQWXLEQHKMBIQH-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041373399 1345711876 /nfs/dbraw/zinc/71/18/76/1345711876.db2.gz UQWXLEQHKMBIQH-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041373399 1345711879 /nfs/dbraw/zinc/71/18/79/1345711879.db2.gz UQWXLEQHKMBIQH-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041724488 1345832576 /nfs/dbraw/zinc/83/25/76/1345832576.db2.gz YYXGQGQSZIDAOU-CTNGQTDRSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041724488 1345832578 /nfs/dbraw/zinc/83/25/78/1345832578.db2.gz YYXGQGQSZIDAOU-CTNGQTDRSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041724488 1345832580 /nfs/dbraw/zinc/83/25/80/1345832580.db2.gz YYXGQGQSZIDAOU-CTNGQTDRSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042368580 1346059165 /nfs/dbraw/zinc/05/91/65/1346059165.db2.gz RXQCXIUPGNBCME-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001042849830 1346121134 /nfs/dbraw/zinc/12/11/34/1346121134.db2.gz XWXJHWAEGKLLGF-VQTJNVASSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001042849830 1346121136 /nfs/dbraw/zinc/12/11/36/1346121136.db2.gz XWXJHWAEGKLLGF-VQTJNVASSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCCCCC2)C1 ZINC001044005916 1346232633 /nfs/dbraw/zinc/23/26/33/1346232633.db2.gz ITDNIGGZLJJYMW-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1C[NH+](CCC2CCCCC2)C1 ZINC001044034107 1346237326 /nfs/dbraw/zinc/23/73/26/1346237326.db2.gz DOVFZLBUOSZEQM-QUCCMNQESA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1C[NH+](CCC2CCCCC2)C1 ZINC001044034107 1346237330 /nfs/dbraw/zinc/23/73/30/1346237330.db2.gz DOVFZLBUOSZEQM-QUCCMNQESA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCCCC2)C1 ZINC001044170921 1346265425 /nfs/dbraw/zinc/26/54/25/1346265425.db2.gz XVAUMUHTUUNOPR-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044630353 1346387452 /nfs/dbraw/zinc/38/74/52/1346387452.db2.gz VURIZRPUFLZGAV-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045104314 1346495465 /nfs/dbraw/zinc/49/54/65/1346495465.db2.gz YLCUZFKDDSZNMW-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CC2CCCC2)CC1 ZINC001045438129 1346593898 /nfs/dbraw/zinc/59/38/98/1346593898.db2.gz JZLMDRDMVLVUPF-GOSISDBHSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CCCC2CCC2)CC1 ZINC001045437999 1346594170 /nfs/dbraw/zinc/59/41/70/1346594170.db2.gz IKGWXULJQZSYGC-IBGZPJMESA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1(C)CC[NH+](CCC2=CCCCC2)CC1 ZINC001045557780 1346628796 /nfs/dbraw/zinc/62/87/96/1346628796.db2.gz VKRWKAYBTKSWNC-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC2(C)CC[NH+](CCC3CCCCCC3)CC2)C1 ZINC001045639774 1346655778 /nfs/dbraw/zinc/65/57/78/1346655778.db2.gz RDSDXTOATITSMF-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)[NH+]1CCCCCC1 ZINC001045858252 1346723226 /nfs/dbraw/zinc/72/32/26/1346723226.db2.gz GMYWPRVYHUZROJ-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045944219 1346780215 /nfs/dbraw/zinc/78/02/15/1346780215.db2.gz ZZCTWXOBPHPSOK-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045944219 1346780217 /nfs/dbraw/zinc/78/02/17/1346780217.db2.gz ZZCTWXOBPHPSOK-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001045944219 1346780220 /nfs/dbraw/zinc/78/02/20/1346780220.db2.gz ZZCTWXOBPHPSOK-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001045961096 1346796364 /nfs/dbraw/zinc/79/63/64/1346796364.db2.gz GHTIGJKZXTXMST-PZJWPPBQSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001045961096 1346796365 /nfs/dbraw/zinc/79/63/65/1346796365.db2.gz GHTIGJKZXTXMST-PZJWPPBQSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001045961096 1346796366 /nfs/dbraw/zinc/79/63/66/1346796366.db2.gz GHTIGJKZXTXMST-PZJWPPBQSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001045961097 1346796417 /nfs/dbraw/zinc/79/64/17/1346796417.db2.gz GHTIGJKZXTXMST-TZIWHRDSSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001045961097 1346796420 /nfs/dbraw/zinc/79/64/20/1346796420.db2.gz GHTIGJKZXTXMST-TZIWHRDSSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001045961097 1346796422 /nfs/dbraw/zinc/79/64/22/1346796422.db2.gz GHTIGJKZXTXMST-TZIWHRDSSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045965146 1346800664 /nfs/dbraw/zinc/80/06/64/1346800664.db2.gz FGRWNYIIPFDRKW-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001045965146 1346800667 /nfs/dbraw/zinc/80/06/67/1346800667.db2.gz FGRWNYIIPFDRKW-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001045965146 1346800670 /nfs/dbraw/zinc/80/06/70/1346800670.db2.gz FGRWNYIIPFDRKW-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045966829 1346802357 /nfs/dbraw/zinc/80/23/57/1346802357.db2.gz HFYMHUXYZJOFBF-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001045966829 1346802359 /nfs/dbraw/zinc/80/23/59/1346802359.db2.gz HFYMHUXYZJOFBF-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001045966829 1346802362 /nfs/dbraw/zinc/80/23/62/1346802362.db2.gz HFYMHUXYZJOFBF-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045972251 1346807642 /nfs/dbraw/zinc/80/76/42/1346807642.db2.gz XGOWXERSSJPFBZ-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@]3(CC[NH+](CCC(C)(C)C)C3)C2)C1 ZINC001045984678 1346825577 /nfs/dbraw/zinc/82/55/77/1346825577.db2.gz GLBVMWGQMWGCPE-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N2CCCC[C@@]3(CC[N@H+](CCC(C)(C)C)C3)C2)C1 ZINC001045984678 1346825580 /nfs/dbraw/zinc/82/55/80/1346825580.db2.gz GLBVMWGQMWGCPE-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N2CCCC[C@@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)C1 ZINC001045984678 1346825583 /nfs/dbraw/zinc/82/55/83/1346825583.db2.gz GLBVMWGQMWGCPE-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132152970 1375173268 /nfs/dbraw/zinc/17/32/68/1375173268.db2.gz LSIQLIGIKMPCSJ-IRXDYDNUSA-N 2 1 325.541 3.266 20 0 EGADMP Cc1cc(C[NH+]2CC[C@](C)(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)cs1 ZINC001046316276 1346931851 /nfs/dbraw/zinc/93/18/51/1346931851.db2.gz NKGLKXIXTOZRKV-MJGOQNOKSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@](C)(NC(=O)[C@H]3CCC[NH+]3C(C)C)C2)cs1 ZINC001046316276 1346931854 /nfs/dbraw/zinc/93/18/54/1346931854.db2.gz NKGLKXIXTOZRKV-MJGOQNOKSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@](C)(NC(=O)[C@H]3CCC[NH+]3C(C)C)C2)cs1 ZINC001046316276 1346931855 /nfs/dbraw/zinc/93/18/55/1346931855.db2.gz NKGLKXIXTOZRKV-MJGOQNOKSA-N 2 1 349.544 3.010 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](CC3CCCCC3)C2)C1 ZINC001046368916 1346951902 /nfs/dbraw/zinc/95/19/02/1346951902.db2.gz KFMLNGGVJRJRHC-FPOVZHCZSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@H+](CC3CCCCC3)C2)C1 ZINC001046368916 1346951907 /nfs/dbraw/zinc/95/19/07/1346951907.db2.gz KFMLNGGVJRJRHC-FPOVZHCZSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001046368916 1346951911 /nfs/dbraw/zinc/95/19/11/1346951911.db2.gz KFMLNGGVJRJRHC-FPOVZHCZSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046437955 1346975562 /nfs/dbraw/zinc/97/55/62/1346975562.db2.gz YCJKHJZAIACCAX-FQEVSTJZSA-N 2 1 342.487 3.273 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCC2CCCCC2)C1 ZINC001046558658 1347016231 /nfs/dbraw/zinc/01/62/31/1347016231.db2.gz UPAFXGJGAVHXOS-AZUAARDMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCC2CCCCC2)C1 ZINC001046558658 1347016233 /nfs/dbraw/zinc/01/62/33/1347016233.db2.gz UPAFXGJGAVHXOS-AZUAARDMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCC2CCCCC2)C1 ZINC001046558658 1347016236 /nfs/dbraw/zinc/01/62/36/1347016236.db2.gz UPAFXGJGAVHXOS-AZUAARDMSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH+](CCC)CC2)C1 ZINC001047241283 1347267729 /nfs/dbraw/zinc/26/77/29/1347267729.db2.gz PGZDNTAEBAQCEG-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049462690 1347861354 /nfs/dbraw/zinc/86/13/54/1347861354.db2.gz ABKDJLVQFTTYHU-XUVXKRRUSA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001049462690 1347861355 /nfs/dbraw/zinc/86/13/55/1347861355.db2.gz ABKDJLVQFTTYHU-XUVXKRRUSA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001049462690 1347861357 /nfs/dbraw/zinc/86/13/57/1347861357.db2.gz ABKDJLVQFTTYHU-XUVXKRRUSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001049526701 1347892992 /nfs/dbraw/zinc/89/29/92/1347892992.db2.gz WJWJSLJAUPEDNN-HSALFYBXSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049526701 1347892993 /nfs/dbraw/zinc/89/29/93/1347892993.db2.gz WJWJSLJAUPEDNN-HSALFYBXSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049526701 1347892996 /nfs/dbraw/zinc/89/29/96/1347892996.db2.gz WJWJSLJAUPEDNN-HSALFYBXSA-N 2 1 347.547 3.281 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCC1CCCC1)[NH+](C)C ZINC001049550480 1347903299 /nfs/dbraw/zinc/90/32/99/1347903299.db2.gz MGZCHXLQQPOFGR-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049595029 1347928168 /nfs/dbraw/zinc/92/81/68/1347928168.db2.gz RHASPETWKPIBAM-SNRMKQJTSA-N 2 1 340.471 3.059 20 0 EGADMP CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001049663760 1347962864 /nfs/dbraw/zinc/96/28/64/1347962864.db2.gz NDDDFJJDSHRNBX-VAMGGRTRSA-N 2 1 347.547 3.259 20 0 EGADMP CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001049663760 1347962867 /nfs/dbraw/zinc/96/28/67/1347962867.db2.gz NDDDFJJDSHRNBX-VAMGGRTRSA-N 2 1 347.547 3.259 20 0 EGADMP CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001049663760 1347962869 /nfs/dbraw/zinc/96/28/69/1347962869.db2.gz NDDDFJJDSHRNBX-VAMGGRTRSA-N 2 1 347.547 3.259 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716668 1347988961 /nfs/dbraw/zinc/98/89/61/1347988961.db2.gz GDRIROBDHWURPA-MSOLQXFVSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049716668 1347988962 /nfs/dbraw/zinc/98/89/62/1347988962.db2.gz GDRIROBDHWURPA-MSOLQXFVSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049716668 1347988964 /nfs/dbraw/zinc/98/89/64/1347988964.db2.gz GDRIROBDHWURPA-MSOLQXFVSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049719676 1347989855 /nfs/dbraw/zinc/98/98/55/1347989855.db2.gz RYUQRRRNEFHJSK-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049719676 1347989857 /nfs/dbraw/zinc/98/98/57/1347989857.db2.gz RYUQRRRNEFHJSK-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049719676 1347989858 /nfs/dbraw/zinc/98/98/58/1347989858.db2.gz RYUQRRRNEFHJSK-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1=CCCCC1 ZINC001049725173 1347991507 /nfs/dbraw/zinc/99/15/07/1347991507.db2.gz VRAMZOGZPXIVNN-HOJAQTOUSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1=CCCCC1 ZINC001049725173 1347991509 /nfs/dbraw/zinc/99/15/09/1347991509.db2.gz VRAMZOGZPXIVNN-HOJAQTOUSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1=CCCCC1 ZINC001049725173 1347991511 /nfs/dbraw/zinc/99/15/11/1347991511.db2.gz VRAMZOGZPXIVNN-HOJAQTOUSA-N 2 1 345.531 3.036 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763143 1348008022 /nfs/dbraw/zinc/00/80/22/1348008022.db2.gz UMULPCOOXSVTIX-ZWKOTPCHSA-N 2 1 346.519 3.262 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763143 1348008024 /nfs/dbraw/zinc/00/80/24/1348008024.db2.gz UMULPCOOXSVTIX-ZWKOTPCHSA-N 2 1 346.519 3.262 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC001049918896 1348112026 /nfs/dbraw/zinc/11/20/26/1348112026.db2.gz NHXJRPLYDLVICG-IPMKNSEASA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049918896 1348112028 /nfs/dbraw/zinc/11/20/28/1348112028.db2.gz NHXJRPLYDLVICG-IPMKNSEASA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC(C)(C)C ZINC001049918896 1348112030 /nfs/dbraw/zinc/11/20/30/1348112030.db2.gz NHXJRPLYDLVICG-IPMKNSEASA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049922518 1348114635 /nfs/dbraw/zinc/11/46/35/1348114635.db2.gz ZLNVPIPEEWFSMU-UXHICEINSA-N 2 1 343.515 3.083 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001050252430 1348219020 /nfs/dbraw/zinc/21/90/20/1348219020.db2.gz KDBXNGCEOZTNSX-VQTJNVASSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001050252430 1348219022 /nfs/dbraw/zinc/21/90/22/1348219022.db2.gz KDBXNGCEOZTNSX-VQTJNVASSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001050252430 1348219027 /nfs/dbraw/zinc/21/90/27/1348219027.db2.gz KDBXNGCEOZTNSX-VQTJNVASSA-N 2 1 343.515 3.160 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC001050302078 1348227803 /nfs/dbraw/zinc/22/78/03/1348227803.db2.gz AUVUXDKAKSSFJW-ZULIPRJHSA-N 2 1 343.515 3.106 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C(C)C)CC1 ZINC001050386366 1348246587 /nfs/dbraw/zinc/24/65/87/1348246587.db2.gz OLQJQXGYEPZZSX-GUDVDZBRSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001079848532 1357400624 /nfs/dbraw/zinc/40/06/24/1357400624.db2.gz APDDAIASTBISPI-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C ZINC001079848532 1357400625 /nfs/dbraw/zinc/40/06/25/1357400625.db2.gz APDDAIASTBISPI-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C ZINC001079848532 1357400626 /nfs/dbraw/zinc/40/06/26/1357400626.db2.gz APDDAIASTBISPI-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001050688278 1348327803 /nfs/dbraw/zinc/32/78/03/1348327803.db2.gz ZQVIUFXHWASYLN-IBGZPJMESA-N 2 1 347.547 3.140 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052448127 1348544180 /nfs/dbraw/zinc/54/41/80/1348544180.db2.gz VBSFUQWGIFZIOZ-ZWKOTPCHSA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052448127 1348544182 /nfs/dbraw/zinc/54/41/82/1348544182.db2.gz VBSFUQWGIFZIOZ-ZWKOTPCHSA-N 2 1 346.519 3.167 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2CCCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC001052486351 1348553786 /nfs/dbraw/zinc/55/37/86/1348553786.db2.gz LFVJCQNRNINZBO-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccn2c[nH+]cc2c1 ZINC001052531663 1348567663 /nfs/dbraw/zinc/56/76/63/1348567663.db2.gz MJIMKYPENUGEKG-LJQANCHMSA-N 2 1 348.450 3.119 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3=CCCCC3)CC2)CC[N@H+]1C ZINC001052658596 1348617247 /nfs/dbraw/zinc/61/72/47/1348617247.db2.gz SPIUPNFRXKOQAH-YSIASYRMSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC3=CCCCC3)CC2)CC[NH+]1C ZINC001052658596 1348617249 /nfs/dbraw/zinc/61/72/49/1348617249.db2.gz SPIUPNFRXKOQAH-YSIASYRMSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC3=CCCCC3)CC2)CC[NH+]1C ZINC001052658596 1348617251 /nfs/dbraw/zinc/61/72/51/1348617251.db2.gz SPIUPNFRXKOQAH-YSIASYRMSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001052715274 1348645675 /nfs/dbraw/zinc/64/56/75/1348645675.db2.gz BTVVCFHYLBSYGB-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001052715274 1348645678 /nfs/dbraw/zinc/64/56/78/1348645678.db2.gz BTVVCFHYLBSYGB-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001052715274 1348645681 /nfs/dbraw/zinc/64/56/81/1348645681.db2.gz BTVVCFHYLBSYGB-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001052764717 1348669469 /nfs/dbraw/zinc/66/94/69/1348669469.db2.gz RJXUAROYFGSULW-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC001052764720 1348669535 /nfs/dbraw/zinc/66/95/35/1348669535.db2.gz RMTVKANRCIVJPO-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052766663 1348670769 /nfs/dbraw/zinc/67/07/69/1348670769.db2.gz KCJKLUDMWRBNSY-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001052868893 1348710585 /nfs/dbraw/zinc/71/05/85/1348710585.db2.gz YLYGDXKFVWXWFT-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@H+](CCC3=CCCCC3)CC2)C1 ZINC001052868893 1348710588 /nfs/dbraw/zinc/71/05/88/1348710588.db2.gz YLYGDXKFVWXWFT-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@@H+](CCC3=CCCCC3)CC2)C1 ZINC001052868893 1348710589 /nfs/dbraw/zinc/71/05/89/1348710589.db2.gz YLYGDXKFVWXWFT-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CC3CCC(C)(C)CC3)CC2)C1 ZINC001052933769 1348754460 /nfs/dbraw/zinc/75/44/60/1348754460.db2.gz FNCCHNROFPHJQQ-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](CC3CCC(C)(C)CC3)CC2)C1 ZINC001052933769 1348754463 /nfs/dbraw/zinc/75/44/63/1348754463.db2.gz FNCCHNROFPHJQQ-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC3CCC(C)(C)CC3)CC2)C1 ZINC001052933769 1348754465 /nfs/dbraw/zinc/75/44/65/1348754465.db2.gz FNCCHNROFPHJQQ-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052955271 1348769386 /nfs/dbraw/zinc/76/93/86/1348769386.db2.gz BTNCCLACBZZSPK-HKUYNNGSSA-N 2 1 345.531 3.379 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC001052955185 1348769654 /nfs/dbraw/zinc/76/96/54/1348769654.db2.gz AIDOQFFMHDNNCS-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC001052955185 1348769658 /nfs/dbraw/zinc/76/96/58/1348769658.db2.gz AIDOQFFMHDNNCS-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccsc2)CC1 ZINC001052955185 1348769661 /nfs/dbraw/zinc/76/96/61/1348769661.db2.gz AIDOQFFMHDNNCS-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC001052955908 1348769879 /nfs/dbraw/zinc/76/98/79/1348769879.db2.gz LGNXZSMGANOBRH-LJQANCHMSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029899 1348829125 /nfs/dbraw/zinc/82/91/25/1348829125.db2.gz XZXRLQHWGRHHRU-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053029899 1348829126 /nfs/dbraw/zinc/82/91/26/1348829126.db2.gz XZXRLQHWGRHHRU-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053029899 1348829127 /nfs/dbraw/zinc/82/91/27/1348829127.db2.gz XZXRLQHWGRHHRU-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053100202 1348933775 /nfs/dbraw/zinc/93/37/75/1348933775.db2.gz FERYQIJPRNDKTK-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053102870 1348936410 /nfs/dbraw/zinc/93/64/10/1348936410.db2.gz WPBGDTCQEWLBEL-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)CCC1 ZINC001054143730 1349153978 /nfs/dbraw/zinc/15/39/78/1349153978.db2.gz IYGBZDSMTXLQOG-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209052 1349210917 /nfs/dbraw/zinc/21/09/17/1349210917.db2.gz HHWAKQMHFCMHHA-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209052 1349210920 /nfs/dbraw/zinc/21/09/20/1349210920.db2.gz HHWAKQMHFCMHHA-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001054209052 1349210922 /nfs/dbraw/zinc/21/09/22/1349210922.db2.gz HHWAKQMHFCMHHA-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1Cc2ccc(CNC(=O)C3CC[NH+](C(C)C)CC3)cc2C1 ZINC001054288118 1349291317 /nfs/dbraw/zinc/29/13/17/1349291317.db2.gz LDTRFXXIVRTBTA-UHFFFAOYSA-N 2 1 343.515 3.147 20 0 EGADMP COc1cc(Br)cc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC001233215767 1376588477 /nfs/dbraw/zinc/58/84/77/1376588477.db2.gz VKGRNLLEJYSMBF-UHFFFAOYSA-N 2 1 341.293 3.375 20 0 EGADMP COc1cc(Br)cc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC001233215767 1376588481 /nfs/dbraw/zinc/58/84/81/1376588481.db2.gz VKGRNLLEJYSMBF-UHFFFAOYSA-N 2 1 341.293 3.375 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001080557167 1357677759 /nfs/dbraw/zinc/67/77/59/1357677759.db2.gz IRIJYKKKPUMPQZ-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C ZINC001080557167 1357677762 /nfs/dbraw/zinc/67/77/62/1357677762.db2.gz IRIJYKKKPUMPQZ-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C ZINC001080557167 1357677767 /nfs/dbraw/zinc/67/77/67/1357677767.db2.gz IRIJYKKKPUMPQZ-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[N@H+]1CCC(C)(C)C ZINC001071606019 1354792418 /nfs/dbraw/zinc/79/24/18/1354792418.db2.gz FJMNTGQGRWSJHG-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CCCC1CCC1 ZINC001071645252 1354824237 /nfs/dbraw/zinc/82/42/37/1354824237.db2.gz IFXINJYZFZOCGQ-IEBWSBKVSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CC1CC(C)(C)C1 ZINC001071645579 1354824248 /nfs/dbraw/zinc/82/42/48/1354824248.db2.gz KZTRZXAPKOVNHA-FUHWJXTLSA-N 2 1 347.547 3.020 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001071689980 1354853498 /nfs/dbraw/zinc/85/34/98/1354853498.db2.gz SPDBOUAXMGJSNK-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001071689980 1354853502 /nfs/dbraw/zinc/85/35/02/1354853502.db2.gz SPDBOUAXMGJSNK-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CC1CC(C)(C)C1 ZINC001071819240 1354959249 /nfs/dbraw/zinc/95/92/49/1354959249.db2.gz STWMTKMHVOKKMD-FUHWJXTLSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CC1CC(C)(C)C1 ZINC001071819240 1354959253 /nfs/dbraw/zinc/95/92/53/1354959253.db2.gz STWMTKMHVOKKMD-FUHWJXTLSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CC1CC(C)(C)C1 ZINC001071819240 1354959256 /nfs/dbraw/zinc/95/92/56/1354959256.db2.gz STWMTKMHVOKKMD-FUHWJXTLSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071821593 1354960964 /nfs/dbraw/zinc/96/09/64/1354960964.db2.gz QNELPZWCOKWHPX-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071821593 1354960966 /nfs/dbraw/zinc/96/09/66/1354960966.db2.gz QNELPZWCOKWHPX-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071821593 1354960967 /nfs/dbraw/zinc/96/09/67/1354960967.db2.gz QNELPZWCOKWHPX-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001072085148 1355120010 /nfs/dbraw/zinc/12/00/10/1355120010.db2.gz NUQZHESTOZHMRC-LPHOPBHVSA-N 2 1 344.503 3.051 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001072085148 1355120013 /nfs/dbraw/zinc/12/00/13/1355120013.db2.gz NUQZHESTOZHMRC-LPHOPBHVSA-N 2 1 344.503 3.051 20 0 EGADMP CCCC[N@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072096042 1355127797 /nfs/dbraw/zinc/12/77/97/1355127797.db2.gz SELLBVVRYKVODB-VQIMIIECSA-N 2 1 331.504 3.131 20 0 EGADMP CCCC[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072096039 1355127815 /nfs/dbraw/zinc/12/78/15/1355127815.db2.gz SELLBVVRYKVODB-APWZRJJASA-N 2 1 331.504 3.131 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072098657 1355128025 /nfs/dbraw/zinc/12/80/25/1355128025.db2.gz DLHIITXRSHRQRT-MJGOQNOKSA-N 2 1 343.515 3.297 20 0 EGADMP C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C[NH2+]CC1CC1 ZINC001072309251 1355231847 /nfs/dbraw/zinc/23/18/47/1355231847.db2.gz GBLFLHZVJFEXPP-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC3(C2)CC[NH+](CCC(C)(C)C)C3)C1 ZINC001072907379 1355491262 /nfs/dbraw/zinc/49/12/62/1355491262.db2.gz GZFFVFFWWQPTQA-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC3(C2)CC[N@H+](CCC(C)(C)C)C3)C1 ZINC001072907379 1355491263 /nfs/dbraw/zinc/49/12/63/1355491263.db2.gz GZFFVFFWWQPTQA-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CCC(C)(C)C)C3)C1 ZINC001072907379 1355491264 /nfs/dbraw/zinc/49/12/64/1355491264.db2.gz GZFFVFFWWQPTQA-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CC2CCCCC2)C1 ZINC001074064767 1356062337 /nfs/dbraw/zinc/06/23/37/1356062337.db2.gz MNMVKWVJHUWXMS-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CCCCC2)C1 ZINC001074064767 1356062339 /nfs/dbraw/zinc/06/23/39/1356062339.db2.gz MNMVKWVJHUWXMS-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CCCCC2)C1 ZINC001074064767 1356062344 /nfs/dbraw/zinc/06/23/44/1356062344.db2.gz MNMVKWVJHUWXMS-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)[C@@H]1C ZINC001074685986 1356224583 /nfs/dbraw/zinc/22/45/83/1356224583.db2.gz DQIYWXNINTVRGS-UHOSZYNNSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)[C@@H]1C ZINC001074877911 1356276857 /nfs/dbraw/zinc/27/68/57/1356276857.db2.gz RRVSTXREXKLADI-AOIWGVFYSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1C ZINC001080998959 1357776945 /nfs/dbraw/zinc/77/69/45/1357776945.db2.gz VORWVRQXMLNRGT-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1C ZINC001080998959 1357776948 /nfs/dbraw/zinc/77/69/48/1357776948.db2.gz VORWVRQXMLNRGT-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1C ZINC001080998959 1357776951 /nfs/dbraw/zinc/77/69/51/1357776951.db2.gz VORWVRQXMLNRGT-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001082783241 1358092345 /nfs/dbraw/zinc/09/23/45/1358092345.db2.gz JZHMEUHZSPMCSS-QRQLOZEOSA-N 2 1 349.563 3.122 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[NH+](CCC(C)(C)C)C[C@H]32)C1 ZINC001084599283 1358253121 /nfs/dbraw/zinc/25/31/21/1358253121.db2.gz XNQOINPAKXGKBF-CEXWTWQISA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[N@H+](CCC(C)(C)C)C[C@H]32)C1 ZINC001084599283 1358253125 /nfs/dbraw/zinc/25/31/25/1358253125.db2.gz XNQOINPAKXGKBF-CEXWTWQISA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCC(C)(C)C)C[C@H]32)C1 ZINC001084599283 1358253127 /nfs/dbraw/zinc/25/31/27/1358253127.db2.gz XNQOINPAKXGKBF-CEXWTWQISA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101351 1358391572 /nfs/dbraw/zinc/39/15/72/1358391572.db2.gz GIOKDLUJOPGCOJ-AABGKKOBSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC001085196654 1358431504 /nfs/dbraw/zinc/43/15/04/1358431504.db2.gz JDDDQEQXRFOSRT-AQNXPRMDSA-N 2 1 343.515 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001085217768 1358436389 /nfs/dbraw/zinc/43/63/89/1358436389.db2.gz PNHPJFROKYAXDH-AQNXPRMDSA-N 2 1 347.547 3.378 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1 ZINC001085225220 1358437648 /nfs/dbraw/zinc/43/76/48/1358437648.db2.gz NHUCBIJOQIMVEP-IPMKNSEASA-N 2 1 335.536 3.066 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001085244887 1358443304 /nfs/dbraw/zinc/44/33/04/1358443304.db2.gz CGRCNDNAKJSQMQ-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2=CCCCC2)C1 ZINC001085333131 1358470067 /nfs/dbraw/zinc/47/00/67/1358470067.db2.gz AUXSXNSTTBOGJS-RTBURBONSA-N 2 1 347.547 3.236 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCC2CCCCC2)CC[N@H+]1C ZINC001085603924 1358626770 /nfs/dbraw/zinc/62/67/70/1358626770.db2.gz RMISOGFTFWLMSJ-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCC2CCCCC2)CC[NH+]1C ZINC001085603924 1358626774 /nfs/dbraw/zinc/62/67/74/1358626774.db2.gz RMISOGFTFWLMSJ-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCC2CCCCC2)CC[NH+]1C ZINC001085603924 1358626778 /nfs/dbraw/zinc/62/67/78/1358626778.db2.gz RMISOGFTFWLMSJ-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001085629313 1358647058 /nfs/dbraw/zinc/64/70/58/1358647058.db2.gz QYEFCWCCXTUDPW-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001085629313 1358647060 /nfs/dbraw/zinc/64/70/60/1358647060.db2.gz QYEFCWCCXTUDPW-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001085629313 1358647062 /nfs/dbraw/zinc/64/70/62/1358647062.db2.gz QYEFCWCCXTUDPW-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)NC[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001323356548 1387349892 /nfs/dbraw/zinc/34/98/92/1387349892.db2.gz KDSUKFHNMUMLSV-FQEVSTJZSA-N 2 1 349.563 3.413 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCC1 ZINC001085687561 1358687314 /nfs/dbraw/zinc/68/73/14/1358687314.db2.gz QQDHTKYBNAJXIH-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC1CCC1 ZINC001085687561 1358687318 /nfs/dbraw/zinc/68/73/18/1358687318.db2.gz QQDHTKYBNAJXIH-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCC1 ZINC001085687561 1358687322 /nfs/dbraw/zinc/68/73/22/1358687322.db2.gz QQDHTKYBNAJXIH-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CC1CCC(C)(C)CC1)C(=O)C1CC[NH+](C)CC1 ZINC001085798884 1358775067 /nfs/dbraw/zinc/77/50/67/1358775067.db2.gz CUSPZTQQSAJOLM-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCC(C)(C)C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875574 1358839547 /nfs/dbraw/zinc/83/95/47/1358839547.db2.gz FFIFJLANHRBCOC-IBGZPJMESA-N 2 1 345.531 3.331 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2CCC2CC2)o1 ZINC001085994856 1358950687 /nfs/dbraw/zinc/95/06/87/1358950687.db2.gz WVDALRAUQKXHKI-KRWDZBQOSA-N 2 1 347.503 3.068 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001086454257 1359101541 /nfs/dbraw/zinc/10/15/41/1359101541.db2.gz ZBQJHJSZDBOFJS-BHIYHBOVSA-N 2 1 349.563 3.029 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001086530769 1359134131 /nfs/dbraw/zinc/13/41/31/1359134131.db2.gz QJGHIKDBGMCRBR-PWKSQPCKSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086784815 1359201239 /nfs/dbraw/zinc/20/12/39/1359201239.db2.gz VJACXMAIJBMBPX-SCTDSRPQSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001086926939 1359252039 /nfs/dbraw/zinc/25/20/39/1359252039.db2.gz ODKRQXFTLZDUHQ-SFHVURJKSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@H+]1Cc1ccccc1 ZINC001087569781 1359536000 /nfs/dbraw/zinc/53/60/00/1359536000.db2.gz MYKHHLRNVNHGNY-XUVXKRRUSA-N 2 1 343.515 3.029 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC[NH+]1Cc1ccccc1 ZINC001087569781 1359536004 /nfs/dbraw/zinc/53/60/04/1359536004.db2.gz MYKHHLRNVNHGNY-XUVXKRRUSA-N 2 1 343.515 3.029 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC[NH+]1Cc1ccccc1 ZINC001087569781 1359536011 /nfs/dbraw/zinc/53/60/11/1359536011.db2.gz MYKHHLRNVNHGNY-XUVXKRRUSA-N 2 1 343.515 3.029 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CCC1CC1 ZINC001087572429 1359537265 /nfs/dbraw/zinc/53/72/65/1359537265.db2.gz QBBDYRVPOYZLFA-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1CCC1=CCCCC1 ZINC001087578295 1359539089 /nfs/dbraw/zinc/53/90/89/1359539089.db2.gz MLWPYZPIACLFFC-RSPOEFSDSA-N 2 1 347.547 3.186 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1CCC1=CCCCC1 ZINC001087578295 1359539091 /nfs/dbraw/zinc/53/90/91/1359539091.db2.gz MLWPYZPIACLFFC-RSPOEFSDSA-N 2 1 347.547 3.186 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1CCC1=CCCCC1 ZINC001087578295 1359539093 /nfs/dbraw/zinc/53/90/93/1359539093.db2.gz MLWPYZPIACLFFC-RSPOEFSDSA-N 2 1 347.547 3.186 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1CC ZINC001087593817 1359547812 /nfs/dbraw/zinc/54/78/12/1359547812.db2.gz XFCYMPXAIJMULT-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1CC ZINC001087593817 1359547814 /nfs/dbraw/zinc/54/78/14/1359547814.db2.gz XFCYMPXAIJMULT-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1CC ZINC001087593817 1359547817 /nfs/dbraw/zinc/54/78/17/1359547817.db2.gz XFCYMPXAIJMULT-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087699426 1359598972 /nfs/dbraw/zinc/59/89/72/1359598972.db2.gz SWANJKQWIWGPOK-IPMKNSEASA-N 2 1 335.536 3.163 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087699426 1359598975 /nfs/dbraw/zinc/59/89/75/1359598975.db2.gz SWANJKQWIWGPOK-IPMKNSEASA-N 2 1 335.536 3.163 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087699426 1359598977 /nfs/dbraw/zinc/59/89/77/1359598977.db2.gz SWANJKQWIWGPOK-IPMKNSEASA-N 2 1 335.536 3.163 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CCC1CCCCC1 ZINC001087726767 1359614137 /nfs/dbraw/zinc/61/41/37/1359614137.db2.gz RNCZUQDTFZISSK-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CCC1CCCCC1 ZINC001087726767 1359614138 /nfs/dbraw/zinc/61/41/38/1359614138.db2.gz RNCZUQDTFZISSK-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CCC1CCCCC1 ZINC001087726767 1359614144 /nfs/dbraw/zinc/61/41/44/1359614144.db2.gz RNCZUQDTFZISSK-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1CC ZINC001087746094 1359625690 /nfs/dbraw/zinc/62/56/90/1359625690.db2.gz FPRCWJSXJRLUFU-ZWKOTPCHSA-N 2 1 348.535 3.412 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1CC ZINC001087746094 1359625692 /nfs/dbraw/zinc/62/56/92/1359625692.db2.gz FPRCWJSXJRLUFU-ZWKOTPCHSA-N 2 1 348.535 3.412 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840542 1359674268 /nfs/dbraw/zinc/67/42/68/1359674268.db2.gz BWVBATHRCXDVAQ-IPMKNSEASA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H]1CC ZINC001087840542 1359674270 /nfs/dbraw/zinc/67/42/70/1359674270.db2.gz BWVBATHRCXDVAQ-IPMKNSEASA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H]1CC ZINC001087840542 1359674271 /nfs/dbraw/zinc/67/42/71/1359674271.db2.gz BWVBATHRCXDVAQ-IPMKNSEASA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@H+]1CCC(C)(C)C ZINC001087840945 1359675217 /nfs/dbraw/zinc/67/52/17/1359675217.db2.gz VYGNITPCZXIFHD-RCCFBDPRSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC[NH+]1CCC(C)(C)C ZINC001087840945 1359675221 /nfs/dbraw/zinc/67/52/21/1359675221.db2.gz VYGNITPCZXIFHD-RCCFBDPRSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC[NH+]1CCC(C)(C)C ZINC001087840945 1359675223 /nfs/dbraw/zinc/67/52/23/1359675223.db2.gz VYGNITPCZXIFHD-RCCFBDPRSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001088381605 1359865226 /nfs/dbraw/zinc/86/52/26/1359865226.db2.gz IUAHFFCIYFSNOT-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001088667192 1360007293 /nfs/dbraw/zinc/00/72/93/1360007293.db2.gz YNYUJXLRTLOZGG-NEWSRXKRSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CC1CCC2(CC2)CC1 ZINC001088667192 1360007297 /nfs/dbraw/zinc/00/72/97/1360007297.db2.gz YNYUJXLRTLOZGG-NEWSRXKRSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CC1CCC2(CC2)CC1 ZINC001088667192 1360007299 /nfs/dbraw/zinc/00/72/99/1360007299.db2.gz YNYUJXLRTLOZGG-NEWSRXKRSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CC1CCC2(CC2)CC1 ZINC001088667192 1360007302 /nfs/dbraw/zinc/00/73/02/1360007302.db2.gz YNYUJXLRTLOZGG-NEWSRXKRSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1CC1CCC1 ZINC001088812102 1360060821 /nfs/dbraw/zinc/06/08/21/1360060821.db2.gz MFZGPRJNTIXSFZ-UXPWSPDFSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1CC1CCC1 ZINC001088812102 1360060824 /nfs/dbraw/zinc/06/08/24/1360060824.db2.gz MFZGPRJNTIXSFZ-UXPWSPDFSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1CC1CCC1 ZINC001088812102 1360060827 /nfs/dbraw/zinc/06/08/27/1360060827.db2.gz MFZGPRJNTIXSFZ-UXPWSPDFSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812226 1360060886 /nfs/dbraw/zinc/06/08/86/1360060886.db2.gz SAHIXIJKOMCZFU-NZSAHSFTSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088812226 1360060888 /nfs/dbraw/zinc/06/08/88/1360060888.db2.gz SAHIXIJKOMCZFU-NZSAHSFTSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088812226 1360060891 /nfs/dbraw/zinc/06/08/91/1360060891.db2.gz SAHIXIJKOMCZFU-NZSAHSFTSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCC1CCCCCC1 ZINC001088980395 1360123149 /nfs/dbraw/zinc/12/31/49/1360123149.db2.gz GVSHBCUVMPRCFB-HOJAQTOUSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCC1CCCCCC1 ZINC001088980395 1360123153 /nfs/dbraw/zinc/12/31/53/1360123153.db2.gz GVSHBCUVMPRCFB-HOJAQTOUSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCC1CCCCCC1 ZINC001088980395 1360123158 /nfs/dbraw/zinc/12/31/58/1360123158.db2.gz GVSHBCUVMPRCFB-HOJAQTOUSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)[C@@H]1C ZINC001089061116 1360152383 /nfs/dbraw/zinc/15/23/83/1360152383.db2.gz YIEJXYOGXZKQIX-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)[C@@H]1C ZINC001089061116 1360152385 /nfs/dbraw/zinc/15/23/85/1360152385.db2.gz YIEJXYOGXZKQIX-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)[C@@H]1C ZINC001089061116 1360152387 /nfs/dbraw/zinc/15/23/87/1360152387.db2.gz YIEJXYOGXZKQIX-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001089058971 1360152814 /nfs/dbraw/zinc/15/28/14/1360152814.db2.gz SRJHAJZUGGYJMZ-UZLBHIALSA-N 2 1 345.531 3.377 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@H]1C[N@H+](C)C(C)C ZINC001089181219 1360231013 /nfs/dbraw/zinc/23/10/13/1360231013.db2.gz IFNKTJGEJQYYKD-IRXDYDNUSA-N 2 1 334.508 3.118 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)C(C)C ZINC001089181219 1360231014 /nfs/dbraw/zinc/23/10/14/1360231014.db2.gz IFNKTJGEJQYYKD-IRXDYDNUSA-N 2 1 334.508 3.118 20 0 EGADMP C[N@@H+](C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1)CC1CCCCCC1 ZINC001089257664 1360287664 /nfs/dbraw/zinc/28/76/64/1360287664.db2.gz RXXFZPLZZAZXNS-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1)CC1CCCCCC1 ZINC001089257664 1360287666 /nfs/dbraw/zinc/28/76/66/1360287666.db2.gz RXXFZPLZZAZXNS-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)CC1CCCCCC1 ZINC001089257664 1360287669 /nfs/dbraw/zinc/28/76/69/1360287669.db2.gz RXXFZPLZZAZXNS-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405434 1360404036 /nfs/dbraw/zinc/40/40/36/1360404036.db2.gz CAAHKGHEJVXTKK-IRXDYDNUSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405434 1360404037 /nfs/dbraw/zinc/40/40/37/1360404037.db2.gz CAAHKGHEJVXTKK-IRXDYDNUSA-N 2 1 346.519 3.023 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCC3CC3)CC(C)(C)C2)CC1 ZINC001089526340 1360490534 /nfs/dbraw/zinc/49/05/34/1360490534.db2.gz ATOTVDPMACUULX-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089559132 1360507688 /nfs/dbraw/zinc/50/76/88/1360507688.db2.gz MZFVQGFFUSKZIM-GOSISDBHSA-N 2 1 348.535 3.235 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089559132 1360507694 /nfs/dbraw/zinc/50/76/94/1360507694.db2.gz MZFVQGFFUSKZIM-GOSISDBHSA-N 2 1 348.535 3.235 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001089616427 1360536682 /nfs/dbraw/zinc/53/66/82/1360536682.db2.gz GVAPRMBVMMPNJT-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001089616427 1360536685 /nfs/dbraw/zinc/53/66/85/1360536685.db2.gz GVAPRMBVMMPNJT-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001089616427 1360536687 /nfs/dbraw/zinc/53/66/87/1360536687.db2.gz GVAPRMBVMMPNJT-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089638417 1360551891 /nfs/dbraw/zinc/55/18/91/1360551891.db2.gz BQYWOXBECFICDQ-ROUUACIJSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001089638417 1360551892 /nfs/dbraw/zinc/55/18/92/1360551892.db2.gz BQYWOXBECFICDQ-ROUUACIJSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001089638417 1360551897 /nfs/dbraw/zinc/55/18/97/1360551897.db2.gz BQYWOXBECFICDQ-ROUUACIJSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656567 1360568694 /nfs/dbraw/zinc/56/86/94/1360568694.db2.gz JZNOATZSDYDMCC-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001089685501 1360591308 /nfs/dbraw/zinc/59/13/08/1360591308.db2.gz DFLPBKBFJXVDOR-MOPGFXCFSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001089685501 1360591311 /nfs/dbraw/zinc/59/13/11/1360591311.db2.gz DFLPBKBFJXVDOR-MOPGFXCFSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001089685501 1360591315 /nfs/dbraw/zinc/59/13/15/1360591315.db2.gz DFLPBKBFJXVDOR-MOPGFXCFSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089723158 1360626486 /nfs/dbraw/zinc/62/64/86/1360626486.db2.gz HJYDCRSEPCIKJO-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(CC)CC)C[C@@]2(C)C1 ZINC001091721277 1361191762 /nfs/dbraw/zinc/19/17/62/1361191762.db2.gz YSNVUWXDCWXIGH-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(CC)CC)C[C@@]2(C)C1 ZINC001091721277 1361191763 /nfs/dbraw/zinc/19/17/63/1361191763.db2.gz YSNVUWXDCWXIGH-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(CC)CC)C[C@@]2(C)C1 ZINC001091721277 1361191764 /nfs/dbraw/zinc/19/17/64/1361191764.db2.gz YSNVUWXDCWXIGH-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001184694831 1387512040 /nfs/dbraw/zinc/51/20/40/1387512040.db2.gz ZQUBGBVOWCRZJW-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1C ZINC001324262495 1387573996 /nfs/dbraw/zinc/57/39/96/1387573996.db2.gz GEERSVOLJUBYSN-MOPGFXCFSA-N 2 1 345.531 3.369 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCCC1 ZINC001096545661 1362570515 /nfs/dbraw/zinc/57/05/15/1362570515.db2.gz JXROOWHNHYCRJR-AABGKKOBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCCC1 ZINC001096545661 1362570522 /nfs/dbraw/zinc/57/05/22/1362570522.db2.gz JXROOWHNHYCRJR-AABGKKOBSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097079942 1362835428 /nfs/dbraw/zinc/83/54/28/1362835428.db2.gz QHRVGVXFKQHNFJ-NBYUQASBSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001097079942 1362835429 /nfs/dbraw/zinc/83/54/29/1362835429.db2.gz QHRVGVXFKQHNFJ-NBYUQASBSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001097079942 1362835433 /nfs/dbraw/zinc/83/54/33/1362835433.db2.gz QHRVGVXFKQHNFJ-NBYUQASBSA-N 2 1 347.547 3.019 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097705558 1363105815 /nfs/dbraw/zinc/10/58/15/1363105815.db2.gz QTPRIEUISHZEDQ-YSTOQKLRSA-N 2 1 347.547 3.305 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001097705558 1363105816 /nfs/dbraw/zinc/10/58/16/1363105816.db2.gz QTPRIEUISHZEDQ-YSTOQKLRSA-N 2 1 347.547 3.305 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001097705558 1363105818 /nfs/dbraw/zinc/10/58/18/1363105818.db2.gz QTPRIEUISHZEDQ-YSTOQKLRSA-N 2 1 347.547 3.305 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001097734261 1363110439 /nfs/dbraw/zinc/11/04/39/1363110439.db2.gz KYLMTCASDPJDAJ-ZACQAIPSSA-N 2 1 347.503 3.113 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001097734261 1363110440 /nfs/dbraw/zinc/11/04/40/1363110440.db2.gz KYLMTCASDPJDAJ-ZACQAIPSSA-N 2 1 347.503 3.113 20 0 EGADMP CC(C)(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001185120500 1387622918 /nfs/dbraw/zinc/62/29/18/1387622918.db2.gz RDAYWQNMMMVDHW-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCC(C)C)C3)C1 ZINC001098990805 1363560057 /nfs/dbraw/zinc/56/00/57/1363560057.db2.gz GESGDIODXKJBCF-DYXWJJEUSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCC(C)C)C3)C1 ZINC001098990805 1363560060 /nfs/dbraw/zinc/56/00/60/1363560060.db2.gz GESGDIODXKJBCF-DYXWJJEUSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCC(C)C)C3)C1 ZINC001098990805 1363560064 /nfs/dbraw/zinc/56/00/64/1363560064.db2.gz GESGDIODXKJBCF-DYXWJJEUSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001098996147 1363562462 /nfs/dbraw/zinc/56/24/62/1363562462.db2.gz AEHWNXZIEMBGEP-WBKMXMRLSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001098996147 1363562463 /nfs/dbraw/zinc/56/24/63/1363562463.db2.gz AEHWNXZIEMBGEP-WBKMXMRLSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001098996147 1363562466 /nfs/dbraw/zinc/56/24/66/1363562466.db2.gz AEHWNXZIEMBGEP-WBKMXMRLSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001099058664 1363599910 /nfs/dbraw/zinc/59/99/10/1363599910.db2.gz ICQQNJYJBOYJJC-UWVAXJGDSA-N 2 1 346.519 3.023 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001099058664 1363599915 /nfs/dbraw/zinc/59/99/15/1363599915.db2.gz ICQQNJYJBOYJJC-UWVAXJGDSA-N 2 1 346.519 3.023 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001099079186 1363610884 /nfs/dbraw/zinc/61/08/84/1363610884.db2.gz AWAKMPRUZYYCDY-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001099079186 1363610886 /nfs/dbraw/zinc/61/08/86/1363610886.db2.gz AWAKMPRUZYYCDY-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001099079186 1363610888 /nfs/dbraw/zinc/61/08/88/1363610888.db2.gz AWAKMPRUZYYCDY-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CC1 ZINC001099106600 1363624831 /nfs/dbraw/zinc/62/48/31/1363624831.db2.gz JWSGMKHZNWVBCY-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001099106600 1363624834 /nfs/dbraw/zinc/62/48/34/1363624834.db2.gz JWSGMKHZNWVBCY-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001099106600 1363624839 /nfs/dbraw/zinc/62/48/39/1363624839.db2.gz JWSGMKHZNWVBCY-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001099115652 1363632276 /nfs/dbraw/zinc/63/22/76/1363632276.db2.gz IZQKSFWPOYCHAT-OALUTQOASA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115652 1363632280 /nfs/dbraw/zinc/63/22/80/1363632280.db2.gz IZQKSFWPOYCHAT-OALUTQOASA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115652 1363632282 /nfs/dbraw/zinc/63/22/82/1363632282.db2.gz IZQKSFWPOYCHAT-OALUTQOASA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099116475 1363633005 /nfs/dbraw/zinc/63/30/05/1363633005.db2.gz RHZVOZIMLRLSMB-ROUUACIJSA-N 2 1 337.552 3.146 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001099153567 1363659196 /nfs/dbraw/zinc/65/91/96/1363659196.db2.gz MVXGLVYXHIGJMZ-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CCC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099215256 1363696544 /nfs/dbraw/zinc/69/65/44/1363696544.db2.gz RBGBIHVZCJSWRR-CNZFZVQHSA-N 2 1 337.552 3.291 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC1=CCCCC1 ZINC001099215511 1363696550 /nfs/dbraw/zinc/69/65/50/1363696550.db2.gz WIECGVDJABNEEE-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001099235148 1363706531 /nfs/dbraw/zinc/70/65/31/1363706531.db2.gz PPLWIJWMCMDWGK-QZTJIDSGSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccccc1)[NH+](C)C ZINC001099239412 1363708210 /nfs/dbraw/zinc/70/82/10/1363708210.db2.gz DFNBKMDHNNZMQQ-OALUTQOASA-N 2 1 345.531 3.134 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](CC)CC ZINC001099275453 1363726729 /nfs/dbraw/zinc/72/67/29/1363726729.db2.gz DWGFXOLJXQROFI-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001099302551 1363738678 /nfs/dbraw/zinc/73/86/78/1363738678.db2.gz BOARPZOVJUGNSB-GHTZIAJQSA-N 2 1 345.531 3.090 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001099302551 1363738680 /nfs/dbraw/zinc/73/86/80/1363738680.db2.gz BOARPZOVJUGNSB-GHTZIAJQSA-N 2 1 345.531 3.090 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001099316269 1363746591 /nfs/dbraw/zinc/74/65/91/1363746591.db2.gz PRBOOZPEOYEGNA-CNZFZVQHSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001099316269 1363746592 /nfs/dbraw/zinc/74/65/92/1363746592.db2.gz PRBOOZPEOYEGNA-CNZFZVQHSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001099316269 1363746593 /nfs/dbraw/zinc/74/65/93/1363746593.db2.gz PRBOOZPEOYEGNA-CNZFZVQHSA-N 2 1 337.552 3.291 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C ZINC001099340538 1363760668 /nfs/dbraw/zinc/76/06/68/1363760668.db2.gz UMOZHFRRMXQOLL-QGZVFWFLSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C ZINC001099340538 1363760673 /nfs/dbraw/zinc/76/06/73/1363760673.db2.gz UMOZHFRRMXQOLL-QGZVFWFLSA-N 2 1 348.535 3.235 20 0 EGADMP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185235512 1387657523 /nfs/dbraw/zinc/65/75/23/1387657523.db2.gz PKKDJOSGCKTPIR-ROUUACIJSA-N 2 1 348.535 3.127 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001100383299 1364097434 /nfs/dbraw/zinc/09/74/34/1364097434.db2.gz UREKSUOSIMWAAQ-RFEKHPBVSA-N 2 1 335.536 3.092 20 0 EGADMP CCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001100602211 1364184545 /nfs/dbraw/zinc/18/45/45/1364184545.db2.gz YNKFLDRWHCDKTG-QLOJAFMTSA-N 2 1 349.563 3.458 20 0 EGADMP CCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001100602210 1364184642 /nfs/dbraw/zinc/18/46/42/1364184642.db2.gz YNKFLDRWHCDKTG-AFMYVXGZSA-N 2 1 349.563 3.458 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001100729331 1364238170 /nfs/dbraw/zinc/23/81/70/1364238170.db2.gz AWLOVXGLCVDMMP-KFYHWWINSA-N 2 1 349.563 3.480 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCC(C)C)C1 ZINC001100848368 1364289849 /nfs/dbraw/zinc/28/98/49/1364289849.db2.gz JDAAWTGRFVYFCG-ACBHZAAOSA-N 2 1 337.552 3.172 20 0 EGADMP CCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001100848264 1364289863 /nfs/dbraw/zinc/28/98/63/1364289863.db2.gz FCRQEAUAVUTBFA-CTWPCTMYSA-N 2 1 337.552 3.316 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCC2CC([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001100872833 1364305472 /nfs/dbraw/zinc/30/54/72/1364305472.db2.gz LIGIIRCEEGTGJA-VIQWUECVSA-N 2 1 349.563 3.029 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101272605 1364494149 /nfs/dbraw/zinc/49/41/49/1364494149.db2.gz UDPAJDLTVKJOIU-YOZGGUIQSA-N 2 1 349.563 3.099 20 0 EGADMP CC/C=C\CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001101522056 1364597073 /nfs/dbraw/zinc/59/70/73/1364597073.db2.gz LCLWOCKHPGDRKO-LIXSYLKWSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001101541801 1364607602 /nfs/dbraw/zinc/60/76/02/1364607602.db2.gz WBPRYKVWYZWNED-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001101547453 1364611627 /nfs/dbraw/zinc/61/16/27/1364611627.db2.gz BJBWQQZVBWMQLL-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001101582295 1364634988 /nfs/dbraw/zinc/63/49/88/1364634988.db2.gz JGYAABZLKFLUKO-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001324648872 1387717356 /nfs/dbraw/zinc/71/73/56/1387717356.db2.gz XEKMZXQRJFZJMF-PXNSSMCTSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001324648872 1387717359 /nfs/dbraw/zinc/71/73/59/1387717359.db2.gz XEKMZXQRJFZJMF-PXNSSMCTSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001324648872 1387717360 /nfs/dbraw/zinc/71/73/60/1387717360.db2.gz XEKMZXQRJFZJMF-PXNSSMCTSA-N 2 1 339.568 3.227 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001185448655 1387719439 /nfs/dbraw/zinc/71/94/39/1387719439.db2.gz ZBBVMPUGSUZYBQ-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001103174478 1365421027 /nfs/dbraw/zinc/42/10/27/1365421027.db2.gz OVPHJUOKGVSZEY-VAMGGRTRSA-N 2 1 349.563 3.147 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174478 1365421029 /nfs/dbraw/zinc/42/10/29/1365421029.db2.gz OVPHJUOKGVSZEY-VAMGGRTRSA-N 2 1 349.563 3.147 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174478 1365421031 /nfs/dbraw/zinc/42/10/31/1365421031.db2.gz OVPHJUOKGVSZEY-VAMGGRTRSA-N 2 1 349.563 3.147 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(CC)CC)[C@@H](C)C1 ZINC001185547458 1387744821 /nfs/dbraw/zinc/74/48/21/1387744821.db2.gz HKJSKLXJXIDIQZ-PKOBYXMFSA-N 2 1 339.568 3.229 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103435916 1365558971 /nfs/dbraw/zinc/55/89/71/1365558971.db2.gz DIPBPQIFAJVALX-PFRNKHFKSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001103435916 1365558972 /nfs/dbraw/zinc/55/89/72/1365558972.db2.gz DIPBPQIFAJVALX-PFRNKHFKSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001103435916 1365558973 /nfs/dbraw/zinc/55/89/73/1365558973.db2.gz DIPBPQIFAJVALX-PFRNKHFKSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550577 1365629630 /nfs/dbraw/zinc/62/96/30/1365629630.db2.gz XMTSADTUFZTMME-PSUNPMBVSA-N 2 1 337.552 3.149 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722215 1365749226 /nfs/dbraw/zinc/74/92/26/1365749226.db2.gz BESNATVXRHGCCY-UYAOXDASSA-N 2 1 349.563 3.127 20 0 EGADMP CCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104185487 1365941431 /nfs/dbraw/zinc/94/14/31/1365941431.db2.gz FSFJDGNREIAVDK-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC1CCCCC1 ZINC001104676630 1366127199 /nfs/dbraw/zinc/12/71/99/1366127199.db2.gz RXDMXPFBSSCQCD-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001185764342 1387793312 /nfs/dbraw/zinc/79/33/12/1387793312.db2.gz YHEHGKJHVIRBCV-JCMVTEASSA-N 2 1 337.552 3.147 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1(C)CC[NH+](CCC2CC2)CC1 ZINC001324893524 1387808357 /nfs/dbraw/zinc/80/83/57/1387808357.db2.gz SXQSURPACBRVSU-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C(=O)N1CCC([C@@H]2[N@@H+](CC)CC23CCC3)CC1)[NH+](CC)CC ZINC001105396893 1366445887 /nfs/dbraw/zinc/44/58/87/1366445887.db2.gz YLIROPUBWAZLSP-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001105536963 1366516670 /nfs/dbraw/zinc/51/66/70/1366516670.db2.gz LKJGLIHWKVVVBQ-MOPGFXCFSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)CCC1 ZINC001105563338 1366532792 /nfs/dbraw/zinc/53/27/92/1366532792.db2.gz KGHSWUAWCPINBZ-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106249405 1366633793 /nfs/dbraw/zinc/63/37/93/1366633793.db2.gz GMVQWQSOUJFWMD-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001106673257 1366770269 /nfs/dbraw/zinc/77/02/69/1366770269.db2.gz TUNFULCITZFOFT-IAGOWNOFSA-N 2 1 339.568 3.085 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107494893 1366993878 /nfs/dbraw/zinc/99/38/78/1366993878.db2.gz FDMHBBZAUYRWHD-WIYYLYMNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521175 1367016124 /nfs/dbraw/zinc/01/61/24/1367016124.db2.gz QBONDULBYFOKPQ-UYAOXDASSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@@H](C)CC)C[C@H]21 ZINC001189454164 1367025708 /nfs/dbraw/zinc/02/57/08/1367025708.db2.gz SBJPYOLNUBTDDO-GBESFXJTSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)CC)C[C@H]21 ZINC001189454164 1367025712 /nfs/dbraw/zinc/02/57/12/1367025712.db2.gz SBJPYOLNUBTDDO-GBESFXJTSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)CC)C[C@H]21 ZINC001189454164 1367025718 /nfs/dbraw/zinc/02/57/18/1367025718.db2.gz SBJPYOLNUBTDDO-GBESFXJTSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107568291 1367048891 /nfs/dbraw/zinc/04/88/91/1367048891.db2.gz XYCNYMPQCUMDAJ-YLJYHZDGSA-N 2 1 346.519 3.167 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107568291 1367048895 /nfs/dbraw/zinc/04/88/95/1367048895.db2.gz XYCNYMPQCUMDAJ-YLJYHZDGSA-N 2 1 346.519 3.167 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[NH+](CC)CC2)c1ccccc1 ZINC001107606591 1367068080 /nfs/dbraw/zinc/06/80/80/1367068080.db2.gz DUZYWMVAKYWZSK-SFHLNBCPSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC)CC2)c1ccccc1 ZINC001107606591 1367068085 /nfs/dbraw/zinc/06/80/85/1367068085.db2.gz DUZYWMVAKYWZSK-SFHLNBCPSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC)CC2)c1ccccc1 ZINC001107606591 1367068091 /nfs/dbraw/zinc/06/80/91/1367068091.db2.gz DUZYWMVAKYWZSK-SFHLNBCPSA-N 2 1 343.515 3.060 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609644 1367070539 /nfs/dbraw/zinc/07/05/39/1367070539.db2.gz ZYSXXZJKBIRMQC-SFHLNBCPSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609644 1367070545 /nfs/dbraw/zinc/07/05/45/1367070545.db2.gz ZYSXXZJKBIRMQC-SFHLNBCPSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609644 1367070550 /nfs/dbraw/zinc/07/05/50/1367070550.db2.gz ZYSXXZJKBIRMQC-SFHLNBCPSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107613940 1367073310 /nfs/dbraw/zinc/07/33/10/1367073310.db2.gz GXCFNKYUVYYVCI-QWFCFKBJSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632042 1367083950 /nfs/dbraw/zinc/08/39/50/1367083950.db2.gz NJLANNDGWNZHEJ-IAOFLLFISA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107632042 1367083954 /nfs/dbraw/zinc/08/39/54/1367083954.db2.gz NJLANNDGWNZHEJ-IAOFLLFISA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107632042 1367083961 /nfs/dbraw/zinc/08/39/61/1367083961.db2.gz NJLANNDGWNZHEJ-IAOFLLFISA-N 2 1 347.547 3.045 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001186067506 1387858053 /nfs/dbraw/zinc/85/80/53/1387858053.db2.gz JJDKPJMUVIBGKB-QGZVFWFLSA-N 2 1 334.508 3.023 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)[NH+](CC)CC ZINC001109714559 1367289944 /nfs/dbraw/zinc/28/99/44/1367289944.db2.gz OOQMGPSCDOHQDI-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001109773096 1367314858 /nfs/dbraw/zinc/31/48/58/1367314858.db2.gz FKULQGFYIDYTSC-OYGDTKMKSA-N 2 1 344.503 3.084 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001109773096 1367314860 /nfs/dbraw/zinc/31/48/60/1367314860.db2.gz FKULQGFYIDYTSC-OYGDTKMKSA-N 2 1 344.503 3.084 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190654291 1367318352 /nfs/dbraw/zinc/31/83/52/1367318352.db2.gz JKOZSUVEMKIBIT-OXUXSNCKSA-N 2 1 335.536 3.138 20 0 EGADMP CC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190654291 1367318357 /nfs/dbraw/zinc/31/83/57/1367318357.db2.gz JKOZSUVEMKIBIT-OXUXSNCKSA-N 2 1 335.536 3.138 20 0 EGADMP CC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190654291 1367318364 /nfs/dbraw/zinc/31/83/64/1367318364.db2.gz JKOZSUVEMKIBIT-OXUXSNCKSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH+](C)CCCC3CCC3)C2)C1 ZINC001190655517 1367318921 /nfs/dbraw/zinc/31/89/21/1367318921.db2.gz POJNAUFOSIVRMZ-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]([N@H+](C)CCCC3CCC3)C2)C1 ZINC001190655517 1367318925 /nfs/dbraw/zinc/31/89/25/1367318925.db2.gz POJNAUFOSIVRMZ-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCCC3CCC3)C2)C1 ZINC001190655517 1367318929 /nfs/dbraw/zinc/31/89/29/1367318929.db2.gz POJNAUFOSIVRMZ-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001190996225 1367397319 /nfs/dbraw/zinc/39/73/19/1367397319.db2.gz BBCCYYMUFMQUPH-HKUYNNGSSA-N 2 1 345.531 3.319 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001109928417 1367408828 /nfs/dbraw/zinc/40/88/28/1367408828.db2.gz VEJQIMXVOIADAT-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001109928417 1367408830 /nfs/dbraw/zinc/40/88/30/1367408830.db2.gz VEJQIMXVOIADAT-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001109928417 1367408831 /nfs/dbraw/zinc/40/88/31/1367408831.db2.gz VEJQIMXVOIADAT-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCC2)C1 ZINC001191079605 1367419428 /nfs/dbraw/zinc/41/94/28/1367419428.db2.gz BOZFQILHXHFXGU-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1 ZINC001191079605 1367419429 /nfs/dbraw/zinc/41/94/29/1367419429.db2.gz BOZFQILHXHFXGU-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001191079605 1367419432 /nfs/dbraw/zinc/41/94/32/1367419432.db2.gz BOZFQILHXHFXGU-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191163701 1367436545 /nfs/dbraw/zinc/43/65/45/1367436545.db2.gz ZTLKNTWYJGEQPK-AEFFLSMTSA-N 2 1 342.487 3.163 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1ccccc1 ZINC001110019112 1367461297 /nfs/dbraw/zinc/46/12/97/1367461297.db2.gz FTNSAQUDDVBBPQ-LMCOJAPRSA-N 2 1 343.515 3.201 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ccccc1 ZINC001110019112 1367461298 /nfs/dbraw/zinc/46/12/98/1367461298.db2.gz FTNSAQUDDVBBPQ-LMCOJAPRSA-N 2 1 343.515 3.201 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ccccc1 ZINC001110019112 1367461299 /nfs/dbraw/zinc/46/12/99/1367461299.db2.gz FTNSAQUDDVBBPQ-LMCOJAPRSA-N 2 1 343.515 3.201 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115178 1367507628 /nfs/dbraw/zinc/50/76/28/1367507628.db2.gz RCWROUYEGPQIII-KCYZDWFNSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191551417 1367526162 /nfs/dbraw/zinc/52/61/62/1367526162.db2.gz LUGYHUMISTUWNQ-LJQANCHMSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)=CC[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001191551417 1367526169 /nfs/dbraw/zinc/52/61/69/1367526169.db2.gz LUGYHUMISTUWNQ-LJQANCHMSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)=CC[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001191551417 1367526172 /nfs/dbraw/zinc/52/61/72/1367526172.db2.gz LUGYHUMISTUWNQ-LJQANCHMSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001110158694 1367530558 /nfs/dbraw/zinc/53/05/58/1367530558.db2.gz UKQVQUPLQXIACA-CARIKJKMSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001110158694 1367530560 /nfs/dbraw/zinc/53/05/60/1367530560.db2.gz UKQVQUPLQXIACA-CARIKJKMSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001110158694 1367530572 /nfs/dbraw/zinc/53/05/72/1367530572.db2.gz UKQVQUPLQXIACA-CARIKJKMSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161780 1367534592 /nfs/dbraw/zinc/53/45/92/1367534592.db2.gz SRJSFJJWLMULSU-FUMNGEBKSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684106 1367560724 /nfs/dbraw/zinc/56/07/24/1367560724.db2.gz NUFGFKWLJNYEJM-ZWKOTPCHSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001108733098 1367564693 /nfs/dbraw/zinc/56/46/93/1367564693.db2.gz GEEDNHSIBZKLMS-SCTDSRPQSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH+](C)CCCC(C)(C)C)C2)CC[N@H+]1C ZINC001191967459 1367652056 /nfs/dbraw/zinc/65/20/56/1367652056.db2.gz IHOSSNHTEWMHJB-BZSNNMDCSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCCC(C)(C)C)C2)CC[NH+]1C ZINC001191967459 1367652061 /nfs/dbraw/zinc/65/20/61/1367652061.db2.gz IHOSSNHTEWMHJB-BZSNNMDCSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCCC(C)(C)C)C2)CC[NH+]1C ZINC001191967459 1367652065 /nfs/dbraw/zinc/65/20/65/1367652065.db2.gz IHOSSNHTEWMHJB-BZSNNMDCSA-N 2 1 337.552 3.076 20 0 EGADMP C[NH+](CC1CC2(CCC2)C1)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192407291 1367775214 /nfs/dbraw/zinc/77/52/14/1367775214.db2.gz TZZBWFBWIFBLMX-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1)CC(C)(C)C ZINC001192407291 1367775218 /nfs/dbraw/zinc/77/52/18/1367775218.db2.gz TZZBWFBWIFBLMX-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)CC(C)(C)C ZINC001192407291 1367775220 /nfs/dbraw/zinc/77/52/20/1367775220.db2.gz TZZBWFBWIFBLMX-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110626835 1367875161 /nfs/dbraw/zinc/87/51/61/1367875161.db2.gz SYGHRURLDVZEKJ-YRXWBPOGSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001110626835 1367875163 /nfs/dbraw/zinc/87/51/63/1367875163.db2.gz SYGHRURLDVZEKJ-YRXWBPOGSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001110626835 1367875167 /nfs/dbraw/zinc/87/51/67/1367875167.db2.gz SYGHRURLDVZEKJ-YRXWBPOGSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@H]1CC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@H]1O ZINC001192850322 1367887343 /nfs/dbraw/zinc/88/73/43/1367887343.db2.gz WCDLQIJGEMUWPL-GHTZIAJQSA-N 2 1 330.516 3.034 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC2CCCC2)C1 ZINC001192906113 1367901516 /nfs/dbraw/zinc/90/15/16/1367901516.db2.gz ILTCYBRAQDNATK-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC001192906113 1367901517 /nfs/dbraw/zinc/90/15/17/1367901517.db2.gz ILTCYBRAQDNATK-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001192906113 1367901521 /nfs/dbraw/zinc/90/15/21/1367901521.db2.gz ILTCYBRAQDNATK-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)C(C)C ZINC001192916669 1367903728 /nfs/dbraw/zinc/90/37/28/1367903728.db2.gz BLGPQEBYDJTTSI-PMACEKPBSA-N 2 1 345.531 3.086 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916598 1367904280 /nfs/dbraw/zinc/90/42/80/1367904280.db2.gz ABDFNGFUKHMQNE-CLUNNQHJSA-N 2 1 337.552 3.242 20 0 EGADMP CC1CC[NH+](CC(=O)N2CC[C@H]([N@@H+](C)CCCC(C)(C)C)C2)CC1 ZINC001193026551 1367926513 /nfs/dbraw/zinc/92/65/13/1367926513.db2.gz LASQYVYVNHSINJ-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC1CC[NH+](CC(=O)N2CC[C@@H]([N@@H+](C)CCCC3CCCC3)C2)CC1 ZINC001193025829 1367927006 /nfs/dbraw/zinc/92/70/06/1367927006.db2.gz GVGLCXHVQNFEEW-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754446 1367961738 /nfs/dbraw/zinc/96/17/38/1367961738.db2.gz NDYPZJDLQQAAOW-ZRNYENFQSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001110754446 1367961740 /nfs/dbraw/zinc/96/17/40/1367961740.db2.gz NDYPZJDLQQAAOW-ZRNYENFQSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001110754446 1367961743 /nfs/dbraw/zinc/96/17/43/1367961743.db2.gz NDYPZJDLQQAAOW-ZRNYENFQSA-N 2 1 349.563 3.265 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193206260 1367965455 /nfs/dbraw/zinc/96/54/55/1367965455.db2.gz YWIKAKKBMMSEFW-AQWUKCDYSA-N 2 1 349.563 3.386 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383080 1368016409 /nfs/dbraw/zinc/01/64/09/1368016409.db2.gz PJWRLDNEQOMCSH-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@H]([NH+](C)CC=C(C)C)C1)c1ccccc1 ZINC001193423864 1368025949 /nfs/dbraw/zinc/02/59/49/1368025949.db2.gz HDUVBRNMBWSPRU-PMACEKPBSA-N 2 1 343.515 3.178 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CC=C(C)C)C1)c1ccccc1 ZINC001193423864 1368025955 /nfs/dbraw/zinc/02/59/55/1368025955.db2.gz HDUVBRNMBWSPRU-PMACEKPBSA-N 2 1 343.515 3.178 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC=C(C)C)C1)c1ccccc1 ZINC001193423864 1368025961 /nfs/dbraw/zinc/02/59/61/1368025961.db2.gz HDUVBRNMBWSPRU-PMACEKPBSA-N 2 1 343.515 3.178 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001193612171 1368074635 /nfs/dbraw/zinc/07/46/35/1368074635.db2.gz ZZUNMRPXUQSVHZ-QUCCMNQESA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001193612171 1368074642 /nfs/dbraw/zinc/07/46/42/1368074642.db2.gz ZZUNMRPXUQSVHZ-QUCCMNQESA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001193612171 1368074646 /nfs/dbraw/zinc/07/46/46/1368074646.db2.gz ZZUNMRPXUQSVHZ-QUCCMNQESA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C(C)C)cc2)C1 ZINC001193631509 1368079497 /nfs/dbraw/zinc/07/94/97/1368079497.db2.gz YEXASHIAYICCQR-FQEVSTJZSA-N 2 1 345.531 3.185 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C(C)C)cc2)C1 ZINC001193631509 1368079501 /nfs/dbraw/zinc/07/95/01/1368079501.db2.gz YEXASHIAYICCQR-FQEVSTJZSA-N 2 1 345.531 3.185 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C(C)C)cc2)C1 ZINC001193631509 1368079505 /nfs/dbraw/zinc/07/95/05/1368079505.db2.gz YEXASHIAYICCQR-FQEVSTJZSA-N 2 1 345.531 3.185 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+](C)C)C3)c1 ZINC001110962200 1368126755 /nfs/dbraw/zinc/12/67/55/1368126755.db2.gz NMRXJYKNVVCCNV-NBYUQASBSA-N 2 1 343.515 3.119 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081533 1368179138 /nfs/dbraw/zinc/17/91/38/1368179138.db2.gz RDPDYOWLIQWCLU-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194273988 1368221386 /nfs/dbraw/zinc/22/13/86/1368221386.db2.gz CQGFNLAMDYKFGE-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274814 1368221429 /nfs/dbraw/zinc/22/14/29/1368221429.db2.gz LXXCSBUKWVIMDT-UXHICEINSA-N 2 1 345.531 3.258 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274814 1368221435 /nfs/dbraw/zinc/22/14/35/1368221435.db2.gz LXXCSBUKWVIMDT-UXHICEINSA-N 2 1 345.531 3.258 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429608 1368259563 /nfs/dbraw/zinc/25/95/63/1368259563.db2.gz KIGTWGRRTWYAGS-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001111306060 1368261715 /nfs/dbraw/zinc/26/17/15/1368261715.db2.gz ZHGICIXTNHYHIG-JMKDSLFWSA-N 2 1 335.536 3.186 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001111306060 1368261719 /nfs/dbraw/zinc/26/17/19/1368261719.db2.gz ZHGICIXTNHYHIG-JMKDSLFWSA-N 2 1 335.536 3.186 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001111306060 1368261724 /nfs/dbraw/zinc/26/17/24/1368261724.db2.gz ZHGICIXTNHYHIG-JMKDSLFWSA-N 2 1 335.536 3.186 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1ccccc1C ZINC001111309053 1368262991 /nfs/dbraw/zinc/26/29/91/1368262991.db2.gz JCBGDALEOFTXOZ-CUDHKJQZSA-N 2 1 343.515 3.119 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ccccc1C ZINC001111309053 1368262996 /nfs/dbraw/zinc/26/29/96/1368262996.db2.gz JCBGDALEOFTXOZ-CUDHKJQZSA-N 2 1 343.515 3.119 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ccccc1C ZINC001111309053 1368262999 /nfs/dbraw/zinc/26/29/99/1368262999.db2.gz JCBGDALEOFTXOZ-CUDHKJQZSA-N 2 1 343.515 3.119 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467508 1368312350 /nfs/dbraw/zinc/31/23/50/1368312350.db2.gz LTTFFBVZTYAXOH-YSTOQKLRSA-N 2 1 349.563 3.265 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001111740776 1368437386 /nfs/dbraw/zinc/43/73/86/1368437386.db2.gz NNCQICLFPSTHQE-NNXSCSCUSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001111740776 1368437388 /nfs/dbraw/zinc/43/73/88/1368437388.db2.gz NNCQICLFPSTHQE-NNXSCSCUSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001111740776 1368437390 /nfs/dbraw/zinc/43/73/90/1368437390.db2.gz NNCQICLFPSTHQE-NNXSCSCUSA-N 2 1 347.547 3.186 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001111753290 1368443963 /nfs/dbraw/zinc/44/39/63/1368443963.db2.gz QSAJMFDOTSDJGJ-JWDLVDIFSA-N 2 1 347.547 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001111753290 1368443966 /nfs/dbraw/zinc/44/39/66/1368443966.db2.gz QSAJMFDOTSDJGJ-JWDLVDIFSA-N 2 1 347.547 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001111753290 1368443968 /nfs/dbraw/zinc/44/39/68/1368443968.db2.gz QSAJMFDOTSDJGJ-JWDLVDIFSA-N 2 1 347.547 3.044 20 0 EGADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC(C)(C)C)C2)C1CCC1 ZINC001111778592 1368457635 /nfs/dbraw/zinc/45/76/35/1368457635.db2.gz GIEUJUUIRUFKBE-UWJYYQICSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC(C)(C)C)C2)C1CCC1 ZINC001111778592 1368457637 /nfs/dbraw/zinc/45/76/37/1368457637.db2.gz GIEUJUUIRUFKBE-UWJYYQICSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001111789051 1368462350 /nfs/dbraw/zinc/46/23/50/1368462350.db2.gz VHCIAQPRMJPXQZ-ZIKMKABXSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CCCC(C)(C)C)CC2)CC[N@H+]1C ZINC001195900645 1368513138 /nfs/dbraw/zinc/51/31/38/1368513138.db2.gz OJQGCRDAXWULMS-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](CCCC(C)(C)C)CC2)CC[NH+]1C ZINC001195900645 1368513141 /nfs/dbraw/zinc/51/31/41/1368513141.db2.gz OJQGCRDAXWULMS-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](CCCC(C)(C)C)CC2)CC[NH+]1C ZINC001195900645 1368513142 /nfs/dbraw/zinc/51/31/42/1368513142.db2.gz OJQGCRDAXWULMS-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001196275900 1368582636 /nfs/dbraw/zinc/58/26/36/1368582636.db2.gz OSAAZSWLSKTVQI-OALUTQOASA-N 2 1 335.536 3.118 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001196275900 1368582639 /nfs/dbraw/zinc/58/26/39/1368582639.db2.gz OSAAZSWLSKTVQI-OALUTQOASA-N 2 1 335.536 3.118 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001196275900 1368582642 /nfs/dbraw/zinc/58/26/42/1368582642.db2.gz OSAAZSWLSKTVQI-OALUTQOASA-N 2 1 335.536 3.118 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001196641701 1368654762 /nfs/dbraw/zinc/65/47/62/1368654762.db2.gz MGOGRPCUKWHURS-UHFFFAOYSA-N 2 1 337.552 3.366 20 0 EGADMP CCCCC[NH+]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001196641701 1368654765 /nfs/dbraw/zinc/65/47/65/1368654765.db2.gz MGOGRPCUKWHURS-UHFFFAOYSA-N 2 1 337.552 3.366 20 0 EGADMP CCCCC[NH+]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001196641701 1368654769 /nfs/dbraw/zinc/65/47/69/1368654769.db2.gz MGOGRPCUKWHURS-UHFFFAOYSA-N 2 1 337.552 3.366 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196655567 1368656514 /nfs/dbraw/zinc/65/65/14/1368656514.db2.gz HCGGIZSYBBFCQR-UHFFFAOYSA-N 2 1 337.552 3.366 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CCC[N@@H+](CC3CC(C)(C)C3)CC2)CCCC1 ZINC001196656981 1368657546 /nfs/dbraw/zinc/65/75/46/1368657546.db2.gz XPMLHWYVDDNOBS-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[NH+](CCC2CCCCCC2)CC1 ZINC001197707251 1368877435 /nfs/dbraw/zinc/87/74/35/1368877435.db2.gz NSFVXPWSELCWCT-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[N@H+](CCC2CCCCCC2)CC1 ZINC001197707251 1368877441 /nfs/dbraw/zinc/87/74/41/1368877441.db2.gz NSFVXPWSELCWCT-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[N@@H+](CCC2CCCCCC2)CC1 ZINC001197707251 1368877446 /nfs/dbraw/zinc/87/74/46/1368877446.db2.gz NSFVXPWSELCWCT-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP Cc1cccc(C)c1C[N@@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197885337 1368919525 /nfs/dbraw/zinc/91/95/25/1368919525.db2.gz CGQZVATUDBOFAF-UHFFFAOYSA-N 2 1 345.531 3.070 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001197885441 1368919840 /nfs/dbraw/zinc/91/98/40/1368919840.db2.gz HEJHLPRMOHTCFU-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001325437823 1387972097 /nfs/dbraw/zinc/97/20/97/1387972097.db2.gz LYDMRNFCFFTOGF-SJLPKXTDSA-N 2 1 339.568 3.227 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@@H]2CCC[NH+](CC)CC2)CC1 ZINC001186605733 1387984849 /nfs/dbraw/zinc/98/48/49/1387984849.db2.gz SMWVFEPUOMBFLR-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@H+](CC)CC2)CC1 ZINC001186605733 1387984853 /nfs/dbraw/zinc/98/48/53/1387984853.db2.gz SMWVFEPUOMBFLR-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@@H+](CC)CC2)CC1 ZINC001186605733 1387984857 /nfs/dbraw/zinc/98/48/57/1387984857.db2.gz SMWVFEPUOMBFLR-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)CN(C(=O)c1c[nH+]ccc1N1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001199370322 1369215919 /nfs/dbraw/zinc/21/59/19/1369215919.db2.gz AOGFZMPEPCJDTK-QAQDUYKDSA-N 2 1 344.503 3.050 20 0 EGADMP CC/C=C\CC[NH+]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001113156404 1369233212 /nfs/dbraw/zinc/23/32/12/1369233212.db2.gz CWNSVZABXWZUMQ-PLNGDYQASA-N 2 1 335.536 3.142 20 0 EGADMP CCOc1cccc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC001199865105 1369282507 /nfs/dbraw/zinc/28/25/07/1369282507.db2.gz OZQAYYMLCGWZGY-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP CC/C=C/CC[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001200645045 1369404814 /nfs/dbraw/zinc/40/48/14/1369404814.db2.gz YMVUNWMKDUTGOX-DKRLNXSXSA-N 2 1 346.519 3.334 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001200893537 1369444986 /nfs/dbraw/zinc/44/49/86/1369444986.db2.gz DUYDCQVHRGNIBB-GHOSXJJBSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001200894063 1369445175 /nfs/dbraw/zinc/44/51/75/1369445175.db2.gz KSUMICMUULEHCK-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001201043793 1369470847 /nfs/dbraw/zinc/47/08/47/1369470847.db2.gz JMHTWWYHKFCLQX-IBGZPJMESA-N 2 1 337.552 3.410 20 0 EGADMP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201053433 1369472859 /nfs/dbraw/zinc/47/28/59/1369472859.db2.gz OYJURCVIXMYXLH-XQQSMPNESA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](C[C@H]3CC=CCC3)CC[C@@H]21 ZINC001201410044 1369538722 /nfs/dbraw/zinc/53/87/22/1369538722.db2.gz HATRPBDGZGLCAK-WOZUAGRISA-N 2 1 342.531 3.413 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](C[C@H]3CC=CCC3)CC[C@@H]21 ZINC001201410044 1369538728 /nfs/dbraw/zinc/53/87/28/1369538728.db2.gz HATRPBDGZGLCAK-WOZUAGRISA-N 2 1 342.531 3.413 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](C[C@H]3CC=CCC3)CC[C@@H]21 ZINC001201410044 1369538735 /nfs/dbraw/zinc/53/87/35/1369538735.db2.gz HATRPBDGZGLCAK-WOZUAGRISA-N 2 1 342.531 3.413 20 0 EGADMP c1nc2n(c1C[NH+]1CCCCC1)CC[N@H+](C[C@@H]1CC=CCC1)CC2 ZINC001201417314 1369541462 /nfs/dbraw/zinc/54/14/62/1369541462.db2.gz RYHHXIANAAQAKH-GOSISDBHSA-N 2 1 328.504 3.083 20 0 EGADMP CNC(=O)C[N@H+]1CCCC12CC[NH+](C[C@@H](C)CCC=C(C)C)CC2 ZINC001201486177 1369555319 /nfs/dbraw/zinc/55/53/19/1369555319.db2.gz NASMPAPKRLKBHK-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001113674664 1369559783 /nfs/dbraw/zinc/55/97/83/1369559783.db2.gz DQRCTWFUTMHTPT-VOTSOKGWSA-N 2 1 343.515 3.252 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H](COC)[N@@H+](Cc3nccs3)C2)CC1 ZINC001201706694 1369609213 /nfs/dbraw/zinc/60/92/13/1369609213.db2.gz PPMIJDYFVITMBY-INIZCTEOSA-N 2 1 337.533 3.246 20 0 EGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CCC(C)(C)C)CC[C@@H]21 ZINC001202073188 1369680928 /nfs/dbraw/zinc/68/09/28/1369680928.db2.gz KFEYMMZBUSHMBD-QYZOEREBSA-N 2 1 332.536 3.493 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]21 ZINC001202073188 1369680930 /nfs/dbraw/zinc/68/09/30/1369680930.db2.gz KFEYMMZBUSHMBD-QYZOEREBSA-N 2 1 332.536 3.493 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]21 ZINC001202073188 1369680933 /nfs/dbraw/zinc/68/09/33/1369680933.db2.gz KFEYMMZBUSHMBD-QYZOEREBSA-N 2 1 332.536 3.493 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001202156977 1369703371 /nfs/dbraw/zinc/70/33/71/1369703371.db2.gz RHWWWCNOXHSNQL-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]CCCC(C)(C)C)CC2)CC[N@H+]1C ZINC001202178691 1369708294 /nfs/dbraw/zinc/70/82/94/1369708294.db2.gz MTMFALHGKHOYJU-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC([NH2+]C[C@@H](C)CC)CC1 ZINC001202974242 1369942887 /nfs/dbraw/zinc/94/28/87/1369942887.db2.gz SVOCSMZOUWERFC-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP Cc1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001203124880 1369990693 /nfs/dbraw/zinc/99/06/93/1369990693.db2.gz ZEFDIMHHBOEHBP-SFTDATJTSA-N 2 1 336.483 3.129 20 0 EGADMP CC[C@@H](F)C[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001203313845 1370078176 /nfs/dbraw/zinc/07/81/76/1370078176.db2.gz UJLLYGPHWICQLS-MJGOQNOKSA-N 2 1 349.494 3.008 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203420934 1370118869 /nfs/dbraw/zinc/11/88/69/1370118869.db2.gz XZOLUBJKAUDUKH-WIJVFFIESA-N 2 1 347.547 3.092 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccc(C)cc2C)CC1 ZINC001203443284 1370128615 /nfs/dbraw/zinc/12/86/15/1370128615.db2.gz RJDYAYUPOLINHA-UHFFFAOYSA-N 2 1 345.531 3.116 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(C)C)C12CCC2 ZINC001203506313 1370148369 /nfs/dbraw/zinc/14/83/69/1370148369.db2.gz IPSRJVGPUZLCRT-ROUUACIJSA-N 2 1 337.552 3.172 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203577001 1370176490 /nfs/dbraw/zinc/17/64/90/1370176490.db2.gz MNLKDJRPKFEYHF-HNGSOEQISA-N 2 1 335.536 3.092 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203577007 1370176575 /nfs/dbraw/zinc/17/65/75/1370176575.db2.gz MNVZKHUNIWCJIH-RTBURBONSA-N 2 1 347.547 3.236 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2C(NC(=O)C[N@H+](C)CCCCCC)[C@@H]2C1 ZINC001114984236 1370191128 /nfs/dbraw/zinc/19/11/28/1370191128.db2.gz AVLUCOVTKQEDEL-MXQFDGHBSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001114984236 1370191129 /nfs/dbraw/zinc/19/11/29/1370191129.db2.gz AVLUCOVTKQEDEL-MXQFDGHBSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001114984236 1370191131 /nfs/dbraw/zinc/19/11/31/1370191131.db2.gz AVLUCOVTKQEDEL-MXQFDGHBSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203652692 1370203043 /nfs/dbraw/zinc/20/30/43/1370203043.db2.gz WPPHHLDQTJEFIV-IRXDYDNUSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203791185 1370266214 /nfs/dbraw/zinc/26/62/14/1370266214.db2.gz DUWBOGYQQUBHTK-RBUKOAKNSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203791548 1370266585 /nfs/dbraw/zinc/26/65/85/1370266585.db2.gz JRUMMWPBGOQNEW-RBUKOAKNSA-N 2 1 349.563 3.314 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001203853736 1370289737 /nfs/dbraw/zinc/28/97/37/1370289737.db2.gz XNODKWXJYPGWER-QCUYKYDPSA-N 2 1 335.536 3.186 20 0 EGADMP COc1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc(OC)c1O ZINC001204125150 1370384369 /nfs/dbraw/zinc/38/43/69/1370384369.db2.gz JXDNBUMPTHXGIY-DLBZAZTESA-N 2 1 348.487 3.248 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc(OC)c1O ZINC001204125150 1370384371 /nfs/dbraw/zinc/38/43/71/1370384371.db2.gz JXDNBUMPTHXGIY-DLBZAZTESA-N 2 1 348.487 3.248 20 0 EGADMP COc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cc(OC)c1O ZINC001204125150 1370384375 /nfs/dbraw/zinc/38/43/75/1370384375.db2.gz JXDNBUMPTHXGIY-DLBZAZTESA-N 2 1 348.487 3.248 20 0 EGADMP COc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cc(OC)c1O ZINC001204125150 1370384378 /nfs/dbraw/zinc/38/43/78/1370384378.db2.gz JXDNBUMPTHXGIY-DLBZAZTESA-N 2 1 348.487 3.248 20 0 EGADMP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001204148814 1370389667 /nfs/dbraw/zinc/38/96/67/1370389667.db2.gz LCHDVKIKXJPVKN-LJQANCHMSA-N 2 1 330.472 3.314 20 0 EGADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001204148814 1370389674 /nfs/dbraw/zinc/38/96/74/1370389674.db2.gz LCHDVKIKXJPVKN-LJQANCHMSA-N 2 1 330.472 3.314 20 0 EGADMP CC(C)[N@@H+](Cc1ccc(OCCC[NH+](C)C)cc1)C1CCOCC1 ZINC001204272770 1370428367 /nfs/dbraw/zinc/42/83/67/1370428367.db2.gz RKNPOPPMENOZRR-UHFFFAOYSA-N 2 1 334.504 3.407 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CCCCC1 ZINC001115450647 1370459496 /nfs/dbraw/zinc/45/94/96/1370459496.db2.gz IWSZJFVGZDPOST-KRWDZBQOSA-N 2 1 337.552 3.316 20 0 EGADMP COCC[N@H+](Cc1ccccc1OC(F)(F)F)C1CCN(C)CC1 ZINC001204424911 1370473626 /nfs/dbraw/zinc/47/36/26/1370473626.db2.gz HJQAFVNQQGSIJR-UHFFFAOYSA-N 2 1 346.393 3.128 20 0 EGADMP COCC[N@@H+](Cc1ccccc1OC(F)(F)F)C1CCN(C)CC1 ZINC001204424911 1370473630 /nfs/dbraw/zinc/47/36/30/1370473630.db2.gz HJQAFVNQQGSIJR-UHFFFAOYSA-N 2 1 346.393 3.128 20 0 EGADMP CC(C)(C)[N@@H+](Cc1ccccc1)Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001204604819 1370529059 /nfs/dbraw/zinc/52/90/59/1370529059.db2.gz YLCMXMMQGHYADM-UHFFFAOYSA-N 2 1 338.499 3.292 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536739 1370533440 /nfs/dbraw/zinc/53/34/40/1370533440.db2.gz FXJNEYGACUZTJI-QZTJIDSGSA-N 2 1 335.536 3.070 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCCC3CCC3)CCCCC2)CC[N@H+]1C ZINC001115543475 1370540632 /nfs/dbraw/zinc/54/06/32/1370540632.db2.gz KEWAZASFOVOMCC-IEBWSBKVSA-N 2 1 349.563 3.316 20 0 EGADMP Fc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1N1CCCC1 ZINC001204742500 1370561533 /nfs/dbraw/zinc/56/15/33/1370561533.db2.gz PQNAWCMLVLVFPK-UHFFFAOYSA-N 2 1 331.479 3.392 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115579495 1370582659 /nfs/dbraw/zinc/58/26/59/1370582659.db2.gz REPZZWBRNFSYDV-SFHVURJKSA-N 2 1 335.536 3.070 20 0 EGADMP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001115591716 1370592457 /nfs/dbraw/zinc/59/24/57/1370592457.db2.gz AZTRXHHIRVZYOU-OALUTQOASA-N 2 1 347.547 3.212 20 0 EGADMP CCc1cc(Nc2ccc(C3(N4CC[NH+](C)CC4)CC3)cc2)cc[nH+]1 ZINC001205102018 1370651326 /nfs/dbraw/zinc/65/13/26/1370651326.db2.gz DEFUUZJGMFHEHZ-UHFFFAOYSA-N 2 1 336.483 3.046 20 0 EGADMP COc1cccc2c1C[N@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)CC2 ZINC001205164203 1370666998 /nfs/dbraw/zinc/66/69/98/1370666998.db2.gz AEVLJUOCYKGPRY-UHFFFAOYSA-N 2 1 347.462 3.311 20 0 EGADMP COc1cccc2c1C[N@@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)CC2 ZINC001205164203 1370667000 /nfs/dbraw/zinc/66/70/00/1370667000.db2.gz AEVLJUOCYKGPRY-UHFFFAOYSA-N 2 1 347.462 3.311 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC001205210650 1370681964 /nfs/dbraw/zinc/68/19/64/1370681964.db2.gz QGTOKALCIGMMDM-FQEVSTJZSA-N 2 1 326.440 3.155 20 0 EGADMP C[C@H]1CC[N@@H+](CCCc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC001205296295 1370711140 /nfs/dbraw/zinc/71/11/40/1370711140.db2.gz KVYBVBYFVDFRKG-ZFWWWQNUSA-N 2 1 325.294 3.298 20 0 EGADMP C[C@@H]1CC[N@@H+](CCCc2ccccc2Br)C[C@@H]1C[NH3+] ZINC001205296377 1370711236 /nfs/dbraw/zinc/71/12/36/1370711236.db2.gz NUUPXMZAVYXHIM-HIFRSBDPSA-N 2 1 325.294 3.298 20 0 EGADMP CC/C=C\CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115729459 1370711250 /nfs/dbraw/zinc/71/12/50/1370711250.db2.gz GSHDGXFTYKEOQA-PYTPGESOSA-N 2 1 335.536 3.093 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)C[N@H+]2CCC(C)(C)C2)CCCCC1 ZINC001115730233 1370713082 /nfs/dbraw/zinc/71/30/82/1370713082.db2.gz GNNLJKYXNJPXET-UHFFFAOYSA-N 2 1 335.536 3.093 20 0 EGADMP CCc1cc(Br)ccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205316733 1370718495 /nfs/dbraw/zinc/71/84/95/1370718495.db2.gz KVTNOGNTZOCWOT-SWLSCSKDSA-N 2 1 325.294 3.428 20 0 EGADMP CCc1cc(Br)ccc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205316733 1370718504 /nfs/dbraw/zinc/71/85/04/1370718504.db2.gz KVTNOGNTZOCWOT-SWLSCSKDSA-N 2 1 325.294 3.428 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc2c1NC(C)(C)C=C2 ZINC001205317719 1370719699 /nfs/dbraw/zinc/71/96/99/1370719699.db2.gz PPYUFQJOFHTQEP-RHSMWYFYSA-N 2 1 329.488 3.329 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115753923 1370735109 /nfs/dbraw/zinc/73/51/09/1370735109.db2.gz HOPCVFGEQULKCI-UHFFFAOYSA-N 2 1 346.519 3.215 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCCF)CCCCC1 ZINC001115760280 1370744285 /nfs/dbraw/zinc/74/42/85/1370744285.db2.gz KPDLLDSAWIJDSB-QGZVFWFLSA-N 2 1 341.515 3.018 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001187307163 1388091776 /nfs/dbraw/zinc/09/17/76/1388091776.db2.gz XHRAXNNTJACCCQ-RTBURBONSA-N 2 1 345.531 3.287 20 0 EGADMP CC(C)=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205461853 1370762467 /nfs/dbraw/zinc/76/24/67/1370762467.db2.gz PWHKJYXLQMJIOO-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001205464286 1370763327 /nfs/dbraw/zinc/76/33/27/1370763327.db2.gz NANIOQDDZCLGMD-PRPIBZDOSA-N 2 1 349.563 3.149 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001205483403 1370768815 /nfs/dbraw/zinc/76/88/15/1370768815.db2.gz BXFOOWOPWJRUED-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]CC2CCCCC2)CC1 ZINC001205548719 1370787668 /nfs/dbraw/zinc/78/76/68/1370787668.db2.gz JLGIBTTZMOPEFO-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@H]1SC ZINC001205554369 1370789431 /nfs/dbraw/zinc/78/94/31/1370789431.db2.gz DBKHQCBUVIBQDE-WNRNVDISSA-N 2 1 326.550 3.282 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)[C@H]1SC ZINC001205554369 1370789434 /nfs/dbraw/zinc/78/94/34/1370789434.db2.gz DBKHQCBUVIBQDE-WNRNVDISSA-N 2 1 326.550 3.282 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2ccccc2C)CCCCC1 ZINC001115806229 1370790109 /nfs/dbraw/zinc/79/01/09/1370790109.db2.gz SBJTYLBNVMZWBH-UHFFFAOYSA-N 2 1 345.531 3.246 20 0 EGADMP COc1c(Br)cccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205560105 1370790879 /nfs/dbraw/zinc/79/08/79/1370790879.db2.gz ZZIIWQKRLKYPAB-OAHLLOKOSA-N 2 1 345.256 3.111 20 0 EGADMP COc1cc(Cl)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(OC)c1 ZINC001205571631 1370795294 /nfs/dbraw/zinc/79/52/94/1370795294.db2.gz WKNFOLDKEYDXSU-MRXNPFEDSA-N 2 1 330.831 3.010 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2F)CC1 ZINC001205570756 1370795359 /nfs/dbraw/zinc/79/53/59/1370795359.db2.gz ODEFJMRPYMPMQI-AWEZNQCLSA-N 2 1 338.320 3.377 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CC1 ZINC001205578609 1370798661 /nfs/dbraw/zinc/79/86/61/1370798661.db2.gz GVCSIOVOKPMBEO-QGZVFWFLSA-N 2 1 336.842 3.179 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccnc(OCc3ccccc3)c2)CC1 ZINC001205592572 1370803341 /nfs/dbraw/zinc/80/33/41/1370803341.db2.gz WOJHBKBUODXSAU-FQEVSTJZSA-N 2 1 343.446 3.314 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c(Br)c2)CC[C@H]1C[NH3+] ZINC001205615806 1370811583 /nfs/dbraw/zinc/81/15/83/1370811583.db2.gz BEWRIPVXNSTIQC-AAEUAGOBSA-N 2 1 329.257 3.395 20 0 EGADMP COc1cc(Br)ccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205626914 1370816564 /nfs/dbraw/zinc/81/65/64/1370816564.db2.gz KPQRIIUSFGONHD-OLZOCXBDSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)no2)CC[C@@H]1C[NH3+] ZINC001205635479 1370820882 /nfs/dbraw/zinc/82/08/82/1370820882.db2.gz AZAFSQYGQXEZOG-NVXWUHKLSA-N 2 1 329.444 3.060 20 0 EGADMP CCOC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(Cl)c1 ZINC001205637810 1370821462 /nfs/dbraw/zinc/82/14/62/1370821462.db2.gz IXGLKSNPZVHBFE-ZFWWWQNUSA-N 2 1 338.879 3.324 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CC[C@@H]1C[NH3+] ZINC001205638730 1370822728 /nfs/dbraw/zinc/82/27/28/1370822728.db2.gz RJIOKMYAZANBQL-QWHCGFSZSA-N 2 1 334.414 3.162 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CC[C@H]1C[NH3+] ZINC001205652305 1370828256 /nfs/dbraw/zinc/82/82/56/1370828256.db2.gz PEEVLJJWVKNCJL-STQMWFEESA-N 2 1 333.863 3.401 20 0 EGADMP CCOC(=O)c1c(Cl)cccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205652035 1370828596 /nfs/dbraw/zinc/82/85/96/1370828596.db2.gz NQCWNZRNGRYTPP-ZIAGYGMSSA-N 2 1 338.879 3.324 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cncc(Br)c2Cl)CC[C@@H]1C[NH3+] ZINC001205663264 1370833678 /nfs/dbraw/zinc/83/36/78/1370833678.db2.gz GUZGRDBVBZRNLH-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cncc(Br)c2Cl)CC[C@@H]1C[NH3+] ZINC001205663264 1370833680 /nfs/dbraw/zinc/83/36/80/1370833680.db2.gz GUZGRDBVBZRNLH-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP COc1ccc(-c2ccc(C[N@H+]3CCCC[C@@](O)(C[NH3+])C3)s2)cc1 ZINC001205682306 1370841099 /nfs/dbraw/zinc/84/10/99/1370841099.db2.gz RSMUUYGAYOKBQD-LJQANCHMSA-N 2 1 346.496 3.099 20 0 EGADMP CC(C)C[C@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[NH+](C)C ZINC001116125339 1370842447 /nfs/dbraw/zinc/84/24/47/1370842447.db2.gz IXNBKQXMXGDNEX-SJORKVTESA-N 2 1 339.911 3.035 20 0 EGADMP Cc1ccc(Oc2cccc(C[N@H+]3CCCC[C@](O)(C[NH3+])C3)c2)cc1 ZINC001205689704 1370843090 /nfs/dbraw/zinc/84/30/90/1370843090.db2.gz QQLFQJYHMUBYLD-NRFANRHFSA-N 2 1 340.467 3.463 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccccc2-c2ccc(F)cc2F)C1 ZINC001205734692 1370854513 /nfs/dbraw/zinc/85/45/13/1370854513.db2.gz GWESZDPVSYJOJG-FQEVSTJZSA-N 2 1 346.421 3.308 20 0 EGADMP COc1ccc(-c2ccncc2)c(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205795167 1370873450 /nfs/dbraw/zinc/87/34/50/1370873450.db2.gz CZZNORHYQBUTBZ-MRXNPFEDSA-N 2 1 347.409 3.173 20 0 EGADMP COc1ccc(-c2ccncc2)c(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205795167 1370873455 /nfs/dbraw/zinc/87/34/55/1370873455.db2.gz CZZNORHYQBUTBZ-MRXNPFEDSA-N 2 1 347.409 3.173 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001205985313 1370930061 /nfs/dbraw/zinc/93/00/61/1370930061.db2.gz XBAXOVPOHCJRSH-QFBILLFUSA-N 2 1 332.488 3.103 20 0 EGADMP CCOC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206003832 1370935274 /nfs/dbraw/zinc/93/52/74/1370935274.db2.gz MXXPKMMYPRSATM-HUUCEWRRSA-N 2 1 343.471 3.151 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc(Cl)ncc2Br)CCC[C@H]1C[NH3+] ZINC001206003616 1370935363 /nfs/dbraw/zinc/93/53/63/1370935363.db2.gz KGSZMVVMHSIFOO-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)c(F)c2)CCC[C@H]1C[NH3+] ZINC001206004397 1370935630 /nfs/dbraw/zinc/93/56/30/1370935630.db2.gz SAQFUASXUZSNSE-YPMHNXCESA-N 2 1 329.257 3.395 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206005913 1370936466 /nfs/dbraw/zinc/93/64/66/1370936466.db2.gz DUDFNDJDKGEIBJ-RRFGBZISSA-N 2 1 349.563 3.293 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(OC)cc1Cl ZINC001206013550 1370938639 /nfs/dbraw/zinc/93/86/39/1370938639.db2.gz SBPNWOGFEUZNSX-OLZOCXBDSA-N 2 1 326.868 3.164 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(C)(C)C)CCC[C@H]1C[NH3+] ZINC001206026287 1370942333 /nfs/dbraw/zinc/94/23/33/1370942333.db2.gz RHVWLWOMNXTATO-CVEARBPZSA-N 2 1 331.504 3.478 20 0 EGADMP [NH3+][C@H]1CC[N@H+](CCCc2ccc(Br)cc2)CC[C@@H]1F ZINC001206156333 1370974735 /nfs/dbraw/zinc/97/47/35/1370974735.db2.gz QDDZTOAWTPLLJP-GJZGRUSLSA-N 2 1 329.257 3.143 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](CCCc2ccc(Br)cc2)CC[C@@H]1F ZINC001206156333 1370974738 /nfs/dbraw/zinc/97/47/38/1370974738.db2.gz QDDZTOAWTPLLJP-GJZGRUSLSA-N 2 1 329.257 3.143 20 0 EGADMP Cc1cc(Br)cc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206197217 1370989992 /nfs/dbraw/zinc/98/99/92/1370989992.db2.gz GWZUFBYXOUJCMW-GJZGRUSLSA-N 2 1 329.257 3.327 20 0 EGADMP Cc1cc(Br)cc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206197217 1370989996 /nfs/dbraw/zinc/98/99/96/1370989996.db2.gz GWZUFBYXOUJCMW-GJZGRUSLSA-N 2 1 329.257 3.327 20 0 EGADMP COC(=O)c1cccc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC001116881001 1370994567 /nfs/dbraw/zinc/99/45/67/1370994567.db2.gz PPKRYNVQEWLVRQ-KRWDZBQOSA-N 2 1 340.467 3.473 20 0 EGADMP COC(=O)c1cccc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC001116881001 1370994575 /nfs/dbraw/zinc/99/45/75/1370994575.db2.gz PPKRYNVQEWLVRQ-KRWDZBQOSA-N 2 1 340.467 3.473 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)CC1 ZINC001206304555 1371016736 /nfs/dbraw/zinc/01/67/36/1371016736.db2.gz MLZCYAJKQCIIDF-LJQANCHMSA-N 2 1 326.444 3.220 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(OC(F)(F)F)ccc2N)CC1 ZINC001206311795 1371017763 /nfs/dbraw/zinc/01/77/63/1371017763.db2.gz VHGOHPUMRKJNNT-OAHLLOKOSA-N 2 1 331.382 3.118 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2nc(Cl)ccc2Br)CC1 ZINC001206317252 1371020133 /nfs/dbraw/zinc/02/01/33/1371020133.db2.gz DNTFYYVCZVAECG-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2nc(Cl)ccc2Br)CC1 ZINC001206317252 1371020138 /nfs/dbraw/zinc/02/01/38/1371020138.db2.gz DNTFYYVCZVAECG-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(Br)ccc(O)c2F)CC1 ZINC001206326866 1371023451 /nfs/dbraw/zinc/02/34/51/1371023451.db2.gz PXKHVHIOFFVTQC-HNNXBMFYSA-N 2 1 345.256 3.245 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001206474314 1371065514 /nfs/dbraw/zinc/06/55/14/1371065514.db2.gz HMKOLNAADJUTAJ-UHFFFAOYSA-N 2 1 348.535 3.415 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc2c1NC(C)(C)C=C2 ZINC001206646407 1371118309 /nfs/dbraw/zinc/11/83/09/1371118309.db2.gz BIAZUEFJGNEAAS-HNNXBMFYSA-N 2 1 329.488 3.473 20 0 EGADMP O=C(C[N@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1ccc2ccccc2c1 ZINC001118198125 1371144431 /nfs/dbraw/zinc/14/44/31/1371144431.db2.gz HTFJIUIUDXCKID-UHFFFAOYSA-N 2 1 337.467 3.244 20 0 EGADMP CC[C@]1(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC[NH2+]C1 ZINC001118216340 1371148036 /nfs/dbraw/zinc/14/80/36/1371148036.db2.gz GHYWTOJRKMDTDS-UZLBHIALSA-N 2 1 329.488 3.247 20 0 EGADMP CC[NH+]1CCN(c2ccc(Nc3c[nH+]c(N(C)C)cc3C)cc2)CC1 ZINC001206736583 1371149490 /nfs/dbraw/zinc/14/94/90/1371149490.db2.gz JVGFBBGIKUPKIT-UHFFFAOYSA-N 2 1 339.487 3.342 20 0 EGADMP Cc1ccc(-c2noc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)n2)cc1 ZINC001118264189 1371154190 /nfs/dbraw/zinc/15/41/90/1371154190.db2.gz WOUCNTFETCYWST-UHFFFAOYSA-N 2 1 326.444 3.011 20 0 EGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CCCc1ccc(Br)cc1 ZINC001206761277 1371155909 /nfs/dbraw/zinc/15/59/09/1371155909.db2.gz VXDLEMBQNOUFGO-HIFRSBDPSA-N 2 1 325.294 3.441 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1c[nH]c2cccc(Br)c12 ZINC001206769311 1371158580 /nfs/dbraw/zinc/15/85/80/1371158580.db2.gz OJQHHEHSIARIDK-RYUDHWBXSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]c2cccc(Br)c12 ZINC001206769311 1371158583 /nfs/dbraw/zinc/15/85/83/1371158583.db2.gz OJQHHEHSIARIDK-RYUDHWBXSA-N 2 1 336.277 3.490 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001206794719 1371169569 /nfs/dbraw/zinc/16/95/69/1371169569.db2.gz QPNGQHNPXPLJPI-UHFFFAOYSA-N 2 1 349.563 3.127 20 0 EGADMP Cc1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1C ZINC001206797120 1371170724 /nfs/dbraw/zinc/17/07/24/1371170724.db2.gz UPXRNXIYRRMICD-PMACEKPBSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1ncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n1C ZINC001206797120 1371170728 /nfs/dbraw/zinc/17/07/28/1371170728.db2.gz UPXRNXIYRRMICD-PMACEKPBSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1ncc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n1C ZINC001206797120 1371170741 /nfs/dbraw/zinc/17/07/41/1371170741.db2.gz UPXRNXIYRRMICD-PMACEKPBSA-N 3 1 338.499 3.073 20 0 EGADMP Cc1ccnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1 ZINC001206852388 1371189259 /nfs/dbraw/zinc/18/92/59/1371189259.db2.gz NVNSYESPQWWWFP-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP [NH3+][C@@H](c1noc(-c2ccc(C[NH+]3CCCC3)cc2)n1)c1ccccc1 ZINC001326172715 1388122791 /nfs/dbraw/zinc/12/27/91/1388122791.db2.gz MNPPYRGVPQSTAI-GOSISDBHSA-N 2 1 334.423 3.381 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206973752 1371253620 /nfs/dbraw/zinc/25/36/20/1371253620.db2.gz UUBUZQGTBODEJJ-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206974976 1371255257 /nfs/dbraw/zinc/25/52/57/1371255257.db2.gz YTRYWPMGQVYWPY-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCc1nccn1[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001207007756 1371264451 /nfs/dbraw/zinc/26/44/51/1371264451.db2.gz QAVZGYNQSASAGO-SOLBZPMBSA-N 2 1 348.535 3.269 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC(CC)CC)C[C@H]1C ZINC001207007756 1371264454 /nfs/dbraw/zinc/26/44/54/1371264454.db2.gz QAVZGYNQSASAGO-SOLBZPMBSA-N 2 1 348.535 3.269 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001207007756 1371264458 /nfs/dbraw/zinc/26/44/58/1371264458.db2.gz QAVZGYNQSASAGO-SOLBZPMBSA-N 2 1 348.535 3.269 20 0 EGADMP CCc1nccn1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001207007755 1371265005 /nfs/dbraw/zinc/26/50/05/1371265005.db2.gz QAVZGYNQSASAGO-JFIYKMOQSA-N 2 1 348.535 3.269 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC(CC)CC)C[C@H]1C ZINC001207007755 1371265008 /nfs/dbraw/zinc/26/50/08/1371265008.db2.gz QAVZGYNQSASAGO-JFIYKMOQSA-N 2 1 348.535 3.269 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001207007755 1371265014 /nfs/dbraw/zinc/26/50/14/1371265014.db2.gz QAVZGYNQSASAGO-JFIYKMOQSA-N 2 1 348.535 3.269 20 0 EGADMP Fc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)nc1 ZINC001207038650 1371274948 /nfs/dbraw/zinc/27/49/48/1371274948.db2.gz JJUQFUNZUMCVNH-UHFFFAOYSA-N 2 1 329.419 3.302 20 0 EGADMP C[NH2+][C@H](C)Cc1noc([C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2)n1 ZINC001326209330 1388127755 /nfs/dbraw/zinc/12/77/55/1388127755.db2.gz SROUGPHROFXFCA-WBVHZDCISA-N 2 1 328.460 3.256 20 0 EGADMP C[NH2+][C@H](C)Cc1noc([C@@H]2CCCC[N@H+]2Cc2cccc(C)c2)n1 ZINC001326209330 1388127757 /nfs/dbraw/zinc/12/77/57/1388127757.db2.gz SROUGPHROFXFCA-WBVHZDCISA-N 2 1 328.460 3.256 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001207232718 1371336665 /nfs/dbraw/zinc/33/66/65/1371336665.db2.gz YDHWJYMHZOXIGN-GDBMZVCRSA-N 2 1 337.533 3.050 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001207232718 1371336667 /nfs/dbraw/zinc/33/66/67/1371336667.db2.gz YDHWJYMHZOXIGN-GDBMZVCRSA-N 2 1 337.533 3.050 20 0 EGADMP C[C@@]1(CO)CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207286088 1371350202 /nfs/dbraw/zinc/35/02/02/1371350202.db2.gz DWCGJPKNBPMIFB-OAQYLSRUSA-N 2 1 330.516 3.383 20 0 EGADMP C[NH+](C)CC(C)(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)C1 ZINC001207289018 1371353115 /nfs/dbraw/zinc/35/31/15/1371353115.db2.gz YLPJXPZZGXIDHO-NRFANRHFSA-N 2 1 329.532 3.315 20 0 EGADMP CC[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC001119633052 1371380260 /nfs/dbraw/zinc/38/02/60/1371380260.db2.gz GBGKHPAHLJGPCX-RAFMOHDBSA-N 2 1 343.515 3.029 20 0 EGADMP C[NH+]1CCC(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001207399142 1371383711 /nfs/dbraw/zinc/38/37/11/1371383711.db2.gz CTISZEHUSBCOQR-IBGZPJMESA-N 2 1 344.499 3.097 20 0 EGADMP C[NH+]1CCC(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001207399142 1371383716 /nfs/dbraw/zinc/38/37/16/1371383716.db2.gz CTISZEHUSBCOQR-IBGZPJMESA-N 2 1 344.499 3.097 20 0 EGADMP COc1cccc(CC[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001207427307 1371393156 /nfs/dbraw/zinc/39/31/56/1371393156.db2.gz UXGJUSYSXKRPPU-OAQYLSRUSA-N 2 1 346.515 3.061 20 0 EGADMP COc1cccc(CC[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001207427307 1371393162 /nfs/dbraw/zinc/39/31/62/1371393162.db2.gz UXGJUSYSXKRPPU-OAQYLSRUSA-N 2 1 346.515 3.061 20 0 EGADMP COc1cccc(CC[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001207427307 1371393165 /nfs/dbraw/zinc/39/31/65/1371393165.db2.gz UXGJUSYSXKRPPU-OAQYLSRUSA-N 2 1 346.515 3.061 20 0 EGADMP COc1cccc(CC[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001207427307 1371393167 /nfs/dbraw/zinc/39/31/67/1371393167.db2.gz UXGJUSYSXKRPPU-OAQYLSRUSA-N 2 1 346.515 3.061 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001207682418 1371474082 /nfs/dbraw/zinc/47/40/82/1371474082.db2.gz MBPMJLSFSIKNPI-QZTJIDSGSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)c2cccc(F)c2)C[C@H]1C ZINC001207750482 1371493140 /nfs/dbraw/zinc/49/31/40/1371493140.db2.gz RXKJRTKTDNTGAG-IIDMSEBBSA-N 2 1 349.494 3.054 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cccc(F)c2)C[C@H]1C ZINC001207750482 1371493143 /nfs/dbraw/zinc/49/31/43/1371493143.db2.gz RXKJRTKTDNTGAG-IIDMSEBBSA-N 2 1 349.494 3.054 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2cccc(F)c2)C[C@H]1C ZINC001207750482 1371493144 /nfs/dbraw/zinc/49/31/44/1371493144.db2.gz RXKJRTKTDNTGAG-IIDMSEBBSA-N 2 1 349.494 3.054 20 0 EGADMP C[C@@H](C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1)c1ccccc1 ZINC001207906286 1371534903 /nfs/dbraw/zinc/53/49/03/1371534903.db2.gz MUHUHTZKLSDPCJ-SFHVURJKSA-N 2 1 338.499 3.141 20 0 EGADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C[C@@H](C)c3ccccc3)CC2)C1 ZINC001207912962 1371536476 /nfs/dbraw/zinc/53/64/76/1371536476.db2.gz AAKXGHZIJXCIDV-MJGOQNOKSA-N 2 1 344.499 3.140 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 ZINC001120365615 1371550193 /nfs/dbraw/zinc/55/01/93/1371550193.db2.gz UKWLQRUBVHQPHK-ROUUACIJSA-N 2 1 346.519 3.236 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001120414093 1371565801 /nfs/dbraw/zinc/56/58/01/1371565801.db2.gz SGZAQTBHCZZNFY-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120449729 1371581860 /nfs/dbraw/zinc/58/18/60/1371581860.db2.gz PKHLJRKBHIHARL-VQTJNVASSA-N 2 1 349.563 3.388 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@H]([NH2+]CCCC(C)C)C1 ZINC001208074141 1371588560 /nfs/dbraw/zinc/58/85/60/1371588560.db2.gz SQWPAZLUUPLZNJ-MSOLQXFVSA-N 2 1 348.535 3.413 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)CC1 ZINC001208105701 1371597075 /nfs/dbraw/zinc/59/70/75/1371597075.db2.gz AWGOXIWRDHWOFY-LJQANCHMSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001208111071 1371597898 /nfs/dbraw/zinc/59/78/98/1371597898.db2.gz BBGVZLLPYKFYDV-JOCHJYFZSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C)(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208111071 1371597901 /nfs/dbraw/zinc/59/79/01/1371597901.db2.gz BBGVZLLPYKFYDV-JOCHJYFZSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C)(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208111071 1371597907 /nfs/dbraw/zinc/59/79/07/1371597907.db2.gz BBGVZLLPYKFYDV-JOCHJYFZSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001208111071 1371597912 /nfs/dbraw/zinc/59/79/12/1371597912.db2.gz BBGVZLLPYKFYDV-JOCHJYFZSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001208111071 1371597914 /nfs/dbraw/zinc/59/79/14/1371597914.db2.gz BBGVZLLPYKFYDV-JOCHJYFZSA-N 2 1 341.543 3.316 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)[C@H](c2ccccc2)C1 ZINC001208110726 1371597996 /nfs/dbraw/zinc/59/79/96/1371597996.db2.gz FSDWURNUMHRACE-MOPGFXCFSA-N 2 1 344.499 3.345 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@]3(c4ccccc4OC3=O)C2(C)C)CC1 ZINC001208111991 1371598966 /nfs/dbraw/zinc/59/89/66/1371598966.db2.gz QFNVBIQOYJDRSY-OAQYLSRUSA-N 2 1 342.483 3.060 20 0 EGADMP CC/C=C\CCC[NH+]1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001208133329 1371605534 /nfs/dbraw/zinc/60/55/34/1371605534.db2.gz BQGOHGPADVEKOU-WAYWQWQTSA-N 2 1 336.520 3.472 20 0 EGADMP CS[C@H](C)CC[N@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001208145339 1371608937 /nfs/dbraw/zinc/60/89/37/1371608937.db2.gz UWEBQKZPTKBRNT-KFWWJZLASA-N 2 1 325.547 3.181 20 0 EGADMP C[NH+](C)CC1(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCCC1 ZINC001208185833 1371625610 /nfs/dbraw/zinc/62/56/10/1371625610.db2.gz IVTCNELBVRKMAH-OYRHEFFESA-N 2 1 341.543 3.172 20 0 EGADMP CC/C=C\CCCCC[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001208190614 1371630580 /nfs/dbraw/zinc/63/05/80/1371630580.db2.gz LEQWUOUCEJMMED-WAYWQWQTSA-N 2 1 346.519 3.037 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208236655 1371673776 /nfs/dbraw/zinc/67/37/76/1371673776.db2.gz YYQDRLCRKHERFQ-QGZVFWFLSA-N 2 1 341.540 3.297 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208454586 1371772764 /nfs/dbraw/zinc/77/27/64/1371772764.db2.gz YOYXLOXFVORFQX-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001208453350 1371771475 /nfs/dbraw/zinc/77/14/75/1371771475.db2.gz FJXLTAAKAUBLTE-PMTSLALWSA-N 2 1 343.515 3.011 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001208575784 1371824667 /nfs/dbraw/zinc/82/46/67/1371824667.db2.gz VEPQUXBKFZQZOV-XKAJCMQQSA-N 2 1 337.552 3.290 20 0 EGADMP CCC[N@@H+]1C[C@H]2CN(C[C@H]3CCCC[NH+]3Cc3ccccc3)C[C@H]2C1 ZINC001208592934 1371832637 /nfs/dbraw/zinc/83/26/37/1371832637.db2.gz ZLJPSEHADYRBPZ-BHIFYINESA-N 2 1 341.543 3.315 20 0 EGADMP CCC[NH+]1C[C@H]2CN(C[C@H]3CCCC[N@@H+]3Cc3ccccc3)C[C@H]2C1 ZINC001208592934 1371832640 /nfs/dbraw/zinc/83/26/40/1371832640.db2.gz ZLJPSEHADYRBPZ-BHIFYINESA-N 2 1 341.543 3.315 20 0 EGADMP CCC[NH+]1C[C@H]2CN(C[C@H]3CCCC[N@H+]3Cc3ccccc3)C[C@H]2C1 ZINC001208592934 1371832642 /nfs/dbraw/zinc/83/26/42/1371832642.db2.gz ZLJPSEHADYRBPZ-BHIFYINESA-N 2 1 341.543 3.315 20 0 EGADMP CC[C@H]1C[N@@H+](CC2CC[NH+](CC)CC2)CCN1C(=O)OC(C)(C)C ZINC001208597539 1371834804 /nfs/dbraw/zinc/83/48/04/1371834804.db2.gz IZYQKKRHLIVSMW-KRWDZBQOSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C(=O)OC)C[C@@H]2c2ccccc2)CC1 ZINC001208602845 1371836158 /nfs/dbraw/zinc/83/61/58/1371836158.db2.gz OYZGDMCCOXJTHL-WOJBJXKFSA-N 2 1 344.499 3.345 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)CC1 ZINC001208603035 1371837384 /nfs/dbraw/zinc/83/73/84/1371837384.db2.gz SKGRABGXGQFLGY-UHFFFAOYSA-N 2 1 341.543 3.316 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)C1 ZINC001208605592 1371838303 /nfs/dbraw/zinc/83/83/03/1371838303.db2.gz CEIATXWFBLXJME-BHIFYINESA-N 2 1 342.527 3.440 20 0 EGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)C1 ZINC001208605592 1371838306 /nfs/dbraw/zinc/83/83/06/1371838306.db2.gz CEIATXWFBLXJME-BHIFYINESA-N 2 1 342.527 3.440 20 0 EGADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)C1 ZINC001208605592 1371838309 /nfs/dbraw/zinc/83/83/09/1371838309.db2.gz CEIATXWFBLXJME-BHIFYINESA-N 2 1 342.527 3.440 20 0 EGADMP CCOC(=O)CCC[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC001208612833 1371840392 /nfs/dbraw/zinc/84/03/92/1371840392.db2.gz FBQKWJHLJWJBOG-IBGZPJMESA-N 2 1 332.488 3.174 20 0 EGADMP CCOC(=O)CCC[N@H+](Cc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC001208612833 1371840397 /nfs/dbraw/zinc/84/03/97/1371840397.db2.gz FBQKWJHLJWJBOG-IBGZPJMESA-N 2 1 332.488 3.174 20 0 EGADMP CCOC(=O)CCC[NH+](Cc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC001208612833 1371840400 /nfs/dbraw/zinc/84/04/00/1371840400.db2.gz FBQKWJHLJWJBOG-IBGZPJMESA-N 2 1 332.488 3.174 20 0 EGADMP CCOC(=O)CCC[NH+](Cc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208612833 1371840404 /nfs/dbraw/zinc/84/04/04/1371840404.db2.gz FBQKWJHLJWJBOG-IBGZPJMESA-N 2 1 332.488 3.174 20 0 EGADMP C[NH+]1CCC(N(Cc2ccc(F)cc2)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208615662 1371841592 /nfs/dbraw/zinc/84/15/92/1371841592.db2.gz WOKURDWMNQSCMZ-GOSISDBHSA-N 2 1 333.495 3.064 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(C)C)cc2)C[C@H]1C)[NH+](C)C ZINC001208699836 1371867034 /nfs/dbraw/zinc/86/70/34/1371867034.db2.gz VWICKYUATUTQTE-AHRSYUTCSA-N 2 1 345.531 3.087 20 0 EGADMP C[C@H](C[N@@H+](C)CCN1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC001208709452 1371870778 /nfs/dbraw/zinc/87/07/78/1371870778.db2.gz MBSKUGXRCNLLQL-GOSISDBHSA-N 2 1 325.500 3.123 20 0 EGADMP COC1CC[NH+](C2CC[NH+](CCc3ccc(Cl)cc3)CC2)CC1 ZINC001208743434 1371881476 /nfs/dbraw/zinc/88/14/76/1371881476.db2.gz UYCYDEJPKIMCPA-UHFFFAOYSA-N 2 1 336.907 3.458 20 0 EGADMP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001121194206 1371885401 /nfs/dbraw/zinc/88/54/01/1371885401.db2.gz OSIACALRUQZOQH-HXLZZXBHSA-N 2 1 347.547 3.234 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@H+](CCCc3cccc(Br)c3)C[C@@H]2C1 ZINC001208824678 1371907076 /nfs/dbraw/zinc/90/70/76/1371907076.db2.gz MWTPZCWIKVRCAB-IYBDPMFKSA-N 2 1 337.305 3.265 20 0 EGADMP CCCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001121341139 1371943493 /nfs/dbraw/zinc/94/34/93/1371943493.db2.gz SRLCMCCXYLKATK-UHFFFAOYSA-N 2 1 349.563 3.457 20 0 EGADMP O[C@]1(CF)CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208930403 1371949541 /nfs/dbraw/zinc/94/95/41/1371949541.db2.gz AXYBNWGPMXCUDB-VQTJNVASSA-N 2 1 334.479 3.085 20 0 EGADMP O[C@]1(CF)CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208930403 1371949544 /nfs/dbraw/zinc/94/95/44/1371949544.db2.gz AXYBNWGPMXCUDB-VQTJNVASSA-N 2 1 334.479 3.085 20 0 EGADMP O[C@]1(CF)CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208930403 1371949546 /nfs/dbraw/zinc/94/95/46/1371949546.db2.gz AXYBNWGPMXCUDB-VQTJNVASSA-N 2 1 334.479 3.085 20 0 EGADMP C[NH+]1CCC(COc2cccc(F)c2NC2=CC[N@@H+](C)CC2)CC1 ZINC001208930249 1371949795 /nfs/dbraw/zinc/94/97/95/1371949795.db2.gz KSGABLBFZNUIKB-UHFFFAOYSA-N 2 1 333.451 3.178 20 0 EGADMP CC(C)(C)[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208936327 1371951911 /nfs/dbraw/zinc/95/19/11/1371951911.db2.gz OHDHEGAJTJFWBR-FQEVSTJZSA-N 2 1 329.532 3.315 20 0 EGADMP CCCC[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208938439 1371954497 /nfs/dbraw/zinc/95/44/97/1371954497.db2.gz ZIEHYSNIPWHECJ-NRFANRHFSA-N 2 1 329.532 3.316 20 0 EGADMP F[C@@H]1CSC2(C[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208939758 1371954517 /nfs/dbraw/zinc/95/45/17/1371954517.db2.gz IFPOMPPYFKMQHO-ROUUACIJSA-N 2 1 334.504 3.428 20 0 EGADMP F[C@@H]1CSC2(C[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208939758 1371954520 /nfs/dbraw/zinc/95/45/20/1371954520.db2.gz IFPOMPPYFKMQHO-ROUUACIJSA-N 2 1 334.504 3.428 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CCC[C@@H]3C[NH+]3CCCC3)C2)cc1 ZINC001208936624 1371955083 /nfs/dbraw/zinc/95/50/83/1371955083.db2.gz ONMFALZQWKOTIY-FGZHOGPDSA-N 2 1 341.543 3.459 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CC([NH+]4CCCCC4)C3)C2)cc1 ZINC001208940318 1371955342 /nfs/dbraw/zinc/95/53/42/1371955342.db2.gz RJKRZJXGRPPTIL-FQEVSTJZSA-N 2 1 327.516 3.069 20 0 EGADMP C[N@@H+](C1CC1)[C@@H]1CCN(C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208942903 1371957056 /nfs/dbraw/zinc/95/70/56/1371957056.db2.gz JXMWGCLBYVHEIJ-PZJWPPBQSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+](C1CC1)[C@@H]1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208942903 1371957059 /nfs/dbraw/zinc/95/70/59/1371957059.db2.gz JXMWGCLBYVHEIJ-PZJWPPBQSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+](C1CC1)[C@@H]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208942903 1371957066 /nfs/dbraw/zinc/95/70/66/1371957066.db2.gz JXMWGCLBYVHEIJ-PZJWPPBQSA-N 2 1 327.516 3.067 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](CN3CC[NH+](CC4CCCC4)CC3)C2)cc1 ZINC001208948769 1371961332 /nfs/dbraw/zinc/96/13/32/1371961332.db2.gz IECAFTNRTREZMX-QFIPXVFZSA-N 2 1 341.543 3.316 20 0 EGADMP CCOC(C)(C)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209075873 1371990822 /nfs/dbraw/zinc/99/08/22/1371990822.db2.gz XUEIDBARLSZDTG-DFQSSKMNSA-N 2 1 345.531 3.429 20 0 EGADMP CCOC(C)(C)C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209075873 1371990828 /nfs/dbraw/zinc/99/08/28/1371990828.db2.gz XUEIDBARLSZDTG-DFQSSKMNSA-N 2 1 345.531 3.429 20 0 EGADMP CCOC(C)(C)C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209075873 1371990833 /nfs/dbraw/zinc/99/08/33/1371990833.db2.gz XUEIDBARLSZDTG-DFQSSKMNSA-N 2 1 345.531 3.429 20 0 EGADMP CCOC(C)(C)C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209075873 1371990837 /nfs/dbraw/zinc/99/08/37/1371990837.db2.gz XUEIDBARLSZDTG-DFQSSKMNSA-N 2 1 345.531 3.429 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[NH+](CCCc4cccnc4)C[C@@H]3C2)c1 ZINC001209175041 1372024607 /nfs/dbraw/zinc/02/46/07/1372024607.db2.gz YPECIZRVBFCXQB-QZTJIDSGSA-N 2 1 327.497 3.140 20 0 EGADMP COC(C)(C)CC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001209402020 1372093466 /nfs/dbraw/zinc/09/34/66/1372093466.db2.gz ASVAYBIDFPEGSI-UHFFFAOYSA-N 2 1 346.515 3.169 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](CC[NH2+][C@H](C)c2ccccc2C)C1 ZINC001326404135 1388178905 /nfs/dbraw/zinc/17/89/05/1388178905.db2.gz PBVKHBJMTDDTKV-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001121859358 1372105697 /nfs/dbraw/zinc/10/56/97/1372105697.db2.gz DMJABPMOMBTVQU-RBUNFDSBSA-N 2 1 349.563 3.312 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC001209453050 1372110208 /nfs/dbraw/zinc/11/02/08/1372110208.db2.gz DXWYVGIXVSZWFL-SFHVURJKSA-N 2 1 333.495 3.380 20 0 EGADMP Clc1ncc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)s1 ZINC001209462158 1372112222 /nfs/dbraw/zinc/11/22/22/1372112222.db2.gz ZCQQITPNZZKQAX-UHFFFAOYSA-N 2 1 343.924 3.121 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)cc1 ZINC001209660127 1372164365 /nfs/dbraw/zinc/16/43/65/1372164365.db2.gz MFMVXIWUCZMSFY-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC1CC(C)(C)C1)C2 ZINC001122101575 1372174461 /nfs/dbraw/zinc/17/44/61/1372174461.db2.gz POASAIJNBRAOQE-UHFFFAOYSA-N 2 1 349.563 3.172 20 0 EGADMP Nc1ccncc1C[N@@H+]1C[C@H]2c3ccccc3[C@@H](OCC3CC3)[C@H]2C1 ZINC001209730239 1372178072 /nfs/dbraw/zinc/17/80/72/1372178072.db2.gz IIENIVQTDJQMHS-IRFCIJBXSA-N 2 1 335.451 3.191 20 0 EGADMP Nc1cc[nH+]cc1C[N@H+]1C[C@H]2c3ccccc3[C@@H](OCC3CC3)[C@H]2C1 ZINC001209730239 1372178075 /nfs/dbraw/zinc/17/80/75/1372178075.db2.gz IIENIVQTDJQMHS-IRFCIJBXSA-N 2 1 335.451 3.191 20 0 EGADMP Nc1cc[nH+]cc1C[N@@H+]1C[C@H]2c3ccccc3[C@@H](OCC3CC3)[C@H]2C1 ZINC001209730239 1372178078 /nfs/dbraw/zinc/17/80/78/1372178078.db2.gz IIENIVQTDJQMHS-IRFCIJBXSA-N 2 1 335.451 3.191 20 0 EGADMP Nc1cc[nH+]cc1C[NH+]1CCC(Cc2cnc3ccccc3c2)CC1 ZINC001209733130 1372179434 /nfs/dbraw/zinc/17/94/34/1372179434.db2.gz IHQKCQSIBCCZQS-UHFFFAOYSA-N 2 1 332.451 3.497 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209952347 1372240302 /nfs/dbraw/zinc/24/03/02/1372240302.db2.gz PRJNBVMBGNICHZ-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)c2ccc(F)cc2)C[C@H]1C ZINC001210497806 1372367535 /nfs/dbraw/zinc/36/75/35/1372367535.db2.gz JFFOFSGEDPGNSZ-JTDSTZFVSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)cc2)C[C@H]1C ZINC001210497806 1372367540 /nfs/dbraw/zinc/36/75/40/1372367540.db2.gz JFFOFSGEDPGNSZ-JTDSTZFVSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)cc2)C[C@H]1C ZINC001210497806 1372367544 /nfs/dbraw/zinc/36/75/44/1372367544.db2.gz JFFOFSGEDPGNSZ-JTDSTZFVSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)c2cc(C)ccc2C)C[C@H]1C ZINC001210528855 1372372309 /nfs/dbraw/zinc/37/23/09/1372372309.db2.gz JXRKNEGHFVFJOM-WSTZPKSXSA-N 2 1 345.531 3.143 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cc(C)ccc2C)C[C@H]1C ZINC001210528855 1372372312 /nfs/dbraw/zinc/37/23/12/1372372312.db2.gz JXRKNEGHFVFJOM-WSTZPKSXSA-N 2 1 345.531 3.143 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cc(C)ccc2C)C[C@H]1C ZINC001210528855 1372372316 /nfs/dbraw/zinc/37/23/16/1372372316.db2.gz JXRKNEGHFVFJOM-WSTZPKSXSA-N 2 1 345.531 3.143 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC2CCC2)C1)c1ccccc1 ZINC001210642030 1372398062 /nfs/dbraw/zinc/39/80/62/1372398062.db2.gz ADIAVHZTOYLKHB-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP c1cc(C[NH+]2CCOCC2)cc(NC2=CC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001210714447 1372412167 /nfs/dbraw/zinc/41/21/67/1372412167.db2.gz OZVSKESRMGQKCS-NRFANRHFSA-N 2 1 341.499 3.463 20 0 EGADMP C[C@@H]1CCc2nc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)sc2C1 ZINC001326463632 1388200425 /nfs/dbraw/zinc/20/04/25/1388200425.db2.gz FRKYRSZBWZZKSE-YALNPMBYSA-N 2 1 349.544 3.129 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCCC(C)(C)C)C[C@H]32)CC[N@H+]1C ZINC001187971471 1388202026 /nfs/dbraw/zinc/20/20/26/1388202026.db2.gz LZRFYYJHEUOVDU-INDMIFKZSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCCC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001187971471 1388202032 /nfs/dbraw/zinc/20/20/32/1388202032.db2.gz LZRFYYJHEUOVDU-INDMIFKZSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCCC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001187971471 1388202038 /nfs/dbraw/zinc/20/20/38/1388202038.db2.gz LZRFYYJHEUOVDU-INDMIFKZSA-N 2 1 349.563 3.076 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001211257935 1372514466 /nfs/dbraw/zinc/51/44/66/1372514466.db2.gz XLCDCFVCRDKZBY-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211309688 1372526008 /nfs/dbraw/zinc/52/60/08/1372526008.db2.gz KUMWPGRMAHSJAN-UYAOXDASSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc3c(ccn3C)c2)no1 ZINC001212142737 1372664244 /nfs/dbraw/zinc/66/42/44/1372664244.db2.gz RJPWEHMXPHLWGX-INIZCTEOSA-N 2 1 341.459 3.396 20 0 EGADMP COc1cc(N2CC[NH2+]CC2)ccc1Nc1ccc2c[nH+]ccc2c1 ZINC001213893770 1372975212 /nfs/dbraw/zinc/97/52/12/1372975212.db2.gz UPMZVXPFPIVPSH-UHFFFAOYSA-N 2 1 334.423 3.397 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)C)C1 ZINC001214662088 1373098613 /nfs/dbraw/zinc/09/86/13/1373098613.db2.gz TVNHESONBVONMM-KZNAEPCWSA-N 2 1 348.535 3.269 20 0 EGADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCCC(C)(C)C ZINC001214889546 1373136556 /nfs/dbraw/zinc/13/65/56/1373136556.db2.gz MHZZHKXLEPEUQT-KZNAEPCWSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)c2ccc(C(C)C)cc2)CC[N@H+]1C ZINC001127701475 1373164524 /nfs/dbraw/zinc/16/45/24/1373164524.db2.gz PUSQWQDRDDUPGR-FFZOFVMBSA-N 2 1 345.531 3.307 20 0 EGADMP CC(C)C[C@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215567671 1373213414 /nfs/dbraw/zinc/21/34/14/1373213414.db2.gz DBQKKHYJSWHAKD-RCCFBDPRSA-N 2 1 339.568 3.083 20 0 EGADMP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001215778734 1373237236 /nfs/dbraw/zinc/23/72/36/1373237236.db2.gz ZLGWCFZNNGXXFB-QRVBRYPASA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001216490793 1373311594 /nfs/dbraw/zinc/31/15/94/1373311594.db2.gz PDBHLCMAUNFWGM-GPMSIDNRSA-N 2 1 349.494 3.055 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001216844443 1373349928 /nfs/dbraw/zinc/34/99/28/1373349928.db2.gz BYFICKGLSRARTA-JMKDSLFWSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001129418951 1373381564 /nfs/dbraw/zinc/38/15/64/1373381564.db2.gz YVTOHVXHPZPYKC-HXUWFJFHSA-N 2 1 345.531 3.279 20 0 EGADMP O=C(NCC[NH2+]CCC1CCCCCC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130190409 1373471942 /nfs/dbraw/zinc/47/19/42/1373471942.db2.gz YRDCJTUATIQWAD-MOPGFXCFSA-N 2 1 335.536 3.070 20 0 EGADMP CC(C)C[C@@H](C[NH3+])c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217730450 1373496650 /nfs/dbraw/zinc/49/66/50/1373496650.db2.gz NMMJNOVMKNXMKE-IRXDYDNUSA-N 2 1 328.460 3.148 20 0 EGADMP [NH3+][C@@H](CC(F)(F)F)c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217741973 1373498145 /nfs/dbraw/zinc/49/81/45/1373498145.db2.gz FYKVMMQVLQESJC-OLZOCXBDSA-N 2 1 340.349 3.011 20 0 EGADMP [NH3+][C@@H](CC(F)(F)F)c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217741973 1373498147 /nfs/dbraw/zinc/49/81/47/1373498147.db2.gz FYKVMMQVLQESJC-OLZOCXBDSA-N 2 1 340.349 3.011 20 0 EGADMP CCOc1ccc(-c2nnc([C@@H]([NH3+])CCCC[NH2+]C(C)C)o2)cc1 ZINC001217751361 1373498418 /nfs/dbraw/zinc/49/84/18/1373498418.db2.gz FISGDXIXCFFWME-INIZCTEOSA-N 2 1 332.448 3.303 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001130713688 1373584088 /nfs/dbraw/zinc/58/40/88/1373584088.db2.gz XQLVKOMGZITCGG-LJQANCHMSA-N 2 1 337.552 3.173 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2ccccc2C[NH3+])O1 ZINC001218392349 1373605541 /nfs/dbraw/zinc/60/55/41/1373605541.db2.gz IYGDSIKSBFVZIN-LJQANCHMSA-N 2 1 340.467 3.204 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2ccccc2C[NH3+])O1 ZINC001218392349 1373605545 /nfs/dbraw/zinc/60/55/45/1373605545.db2.gz IYGDSIKSBFVZIN-LJQANCHMSA-N 2 1 340.467 3.204 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CCCC(C)(C)C)C[C@H]32)CC[N@H+]1C ZINC001221560793 1373782100 /nfs/dbraw/zinc/78/21/00/1373782100.db2.gz IEXYLHGVQVBQMT-FCGDIQPGSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCCC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001221560793 1373782104 /nfs/dbraw/zinc/78/21/04/1373782104.db2.gz IEXYLHGVQVBQMT-FCGDIQPGSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCCC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001221560793 1373782107 /nfs/dbraw/zinc/78/21/07/1373782107.db2.gz IEXYLHGVQVBQMT-FCGDIQPGSA-N 2 1 349.563 3.076 20 0 EGADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@@H+](CCC3CCCCC3)C[C@H]21 ZINC001221962616 1373809159 /nfs/dbraw/zinc/80/91/59/1373809159.db2.gz MSNQHEAHYNAIOK-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1)c1cccc(F)c1 ZINC001131821473 1373821652 /nfs/dbraw/zinc/82/16/52/1373821652.db2.gz AFPFOMPIQAKFBP-INIZCTEOSA-N 2 1 349.494 3.247 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCCC3CCC3)[C@H]2C1 ZINC001223972189 1375050587 /nfs/dbraw/zinc/05/05/87/1375050587.db2.gz URESTGAUKOHGON-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CCCC3CCC3)[C@H]2C1 ZINC001223972189 1375050591 /nfs/dbraw/zinc/05/05/91/1375050591.db2.gz URESTGAUKOHGON-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CCCC3CCC3)[C@H]2C1 ZINC001223972189 1375050597 /nfs/dbraw/zinc/05/05/97/1375050597.db2.gz URESTGAUKOHGON-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC[NH+](CCCC2CCC2)CC1 ZINC001225244097 1375099488 /nfs/dbraw/zinc/09/94/88/1375099488.db2.gz GXZKLNLKUSUTIF-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188673249 1388358258 /nfs/dbraw/zinc/35/82/58/1388358258.db2.gz GQNLEVURFQNTDX-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188673249 1388358261 /nfs/dbraw/zinc/35/82/61/1388358261.db2.gz GQNLEVURFQNTDX-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188673249 1388358268 /nfs/dbraw/zinc/35/82/68/1388358268.db2.gz GQNLEVURFQNTDX-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1c(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)ccc2c[nH+]cn21 ZINC001326961761 1388358820 /nfs/dbraw/zinc/35/88/20/1388358820.db2.gz IGAZNVWDJIDLJN-KRWDZBQOSA-N 2 1 340.471 3.170 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCC1=CCCCC1 ZINC001132106452 1375151719 /nfs/dbraw/zinc/15/17/19/1375151719.db2.gz UOQYTPYXMOOLQW-IEBWSBKVSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCC1=CCCCC1 ZINC001132106452 1375151725 /nfs/dbraw/zinc/15/17/25/1375151725.db2.gz UOQYTPYXMOOLQW-IEBWSBKVSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCC1=CCCCC1 ZINC001132106452 1375151729 /nfs/dbraw/zinc/15/17/29/1375151729.db2.gz UOQYTPYXMOOLQW-IEBWSBKVSA-N 2 1 347.547 3.330 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132149131 1375170914 /nfs/dbraw/zinc/17/09/14/1375170914.db2.gz GHYZQLGXRZNMAH-CQQBRXBZSA-N 2 1 347.547 3.330 20 0 EGADMP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(F)cc2)C1 ZINC001132152375 1375171967 /nfs/dbraw/zinc/17/19/67/1375171967.db2.gz AYLWZTZRYKJYHG-YJBOKZPZSA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(F)cc2)C1 ZINC001132152375 1375171976 /nfs/dbraw/zinc/17/19/76/1375171976.db2.gz AYLWZTZRYKJYHG-YJBOKZPZSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cc2)C1 ZINC001132152375 1375171980 /nfs/dbraw/zinc/17/19/80/1375171980.db2.gz AYLWZTZRYKJYHG-YJBOKZPZSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cc2)C1 ZINC001132152375 1375171986 /nfs/dbraw/zinc/17/19/86/1375171986.db2.gz AYLWZTZRYKJYHG-YJBOKZPZSA-N 2 1 349.494 3.025 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132152970 1375173263 /nfs/dbraw/zinc/17/32/63/1375173263.db2.gz LSIQLIGIKMPCSJ-IRXDYDNUSA-N 2 1 325.541 3.266 20 0 EGADMP CCCCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132152970 1375173265 /nfs/dbraw/zinc/17/32/65/1375173265.db2.gz LSIQLIGIKMPCSJ-IRXDYDNUSA-N 2 1 325.541 3.266 20 0 EGADMP Oc1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1Br ZINC001327002994 1388363200 /nfs/dbraw/zinc/36/32/00/1388363200.db2.gz BARLWWKTDGCFHB-UHFFFAOYSA-N 2 1 339.277 3.120 20 0 EGADMP Cn1c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)nc2ccc(Cl)cc21 ZINC001327003085 1388363454 /nfs/dbraw/zinc/36/34/54/1388363454.db2.gz CVAYJXRGHITQRE-UHFFFAOYSA-N 2 1 332.879 3.192 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)cc1C ZINC001132269192 1375257568 /nfs/dbraw/zinc/25/75/68/1375257568.db2.gz GPZKDCCQCLWEFY-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC1CCC(C)(C)CC1 ZINC001132273842 1375259702 /nfs/dbraw/zinc/25/97/02/1375259702.db2.gz KVCRBWMZSBBRLM-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@H+]1CC1CCCC1 ZINC001132311844 1375289890 /nfs/dbraw/zinc/28/98/90/1375289890.db2.gz YZXGMRXMQZKEEK-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[NH+]1CC1CCCC1 ZINC001132311844 1375289893 /nfs/dbraw/zinc/28/98/93/1375289893.db2.gz YZXGMRXMQZKEEK-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[NH+]1CC1CCCC1 ZINC001132311844 1375289899 /nfs/dbraw/zinc/28/98/99/1375289899.db2.gz YZXGMRXMQZKEEK-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132340273 1375320265 /nfs/dbraw/zinc/32/02/65/1375320265.db2.gz PLEJRQRZOGMZFE-DDRDIHNTSA-N 2 1 349.563 3.434 20 0 EGADMP CC[N@@H+]1CC[C@@H](Oc2ccc3c(n2)CC[NH+](Cc2ccccc2)C3)C1 ZINC001226743563 1375323595 /nfs/dbraw/zinc/32/35/95/1375323595.db2.gz VCSJDINLHIPTQP-LJQANCHMSA-N 2 1 337.467 3.113 20 0 EGADMP CC[N@H+]1CC[C@@H](Oc2ccc3c(n2)CC[NH+](Cc2ccccc2)C3)C1 ZINC001226743563 1375323602 /nfs/dbraw/zinc/32/36/02/1375323602.db2.gz VCSJDINLHIPTQP-LJQANCHMSA-N 2 1 337.467 3.113 20 0 EGADMP CC[NH+]1CC[C@@H](Oc2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001226743563 1375323611 /nfs/dbraw/zinc/32/36/11/1375323611.db2.gz VCSJDINLHIPTQP-LJQANCHMSA-N 2 1 337.467 3.113 20 0 EGADMP CC[NH+]1CC[C@@H](Oc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C1 ZINC001226743563 1375323619 /nfs/dbraw/zinc/32/36/19/1375323619.db2.gz VCSJDINLHIPTQP-LJQANCHMSA-N 2 1 337.467 3.113 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132354189 1375325686 /nfs/dbraw/zinc/32/56/86/1375325686.db2.gz JYYATFODYZNADW-IIMPKJCBSA-N 2 1 346.519 3.297 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132354189 1375325691 /nfs/dbraw/zinc/32/56/91/1375325691.db2.gz JYYATFODYZNADW-IIMPKJCBSA-N 2 1 346.519 3.297 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132365655 1375330553 /nfs/dbraw/zinc/33/05/53/1375330553.db2.gz NMGGPVLHXNWPQZ-LPHOPBHVSA-N 2 1 348.535 3.377 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132365655 1375330561 /nfs/dbraw/zinc/33/05/61/1375330561.db2.gz NMGGPVLHXNWPQZ-LPHOPBHVSA-N 2 1 348.535 3.377 20 0 EGADMP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001226775610 1375331326 /nfs/dbraw/zinc/33/13/26/1375331326.db2.gz UCTJCYFZMZBTMC-QRVBRYPASA-N 2 1 335.536 3.211 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001226889841 1375353110 /nfs/dbraw/zinc/35/31/10/1375353110.db2.gz CWXAFJRPYKAYDD-XUVXKRRUSA-N 2 1 349.563 3.458 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001226891861 1375353635 /nfs/dbraw/zinc/35/36/35/1375353635.db2.gz VNCVDFKZQVHBIF-GUDVDZBRSA-N 2 1 337.552 3.458 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](C/C=C\c2ccccc2)C1 ZINC001132410943 1375360574 /nfs/dbraw/zinc/36/05/74/1375360574.db2.gz QAZBOSKRLHPFHV-QQXWZLKESA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](C/C=C\c2ccccc2)C1 ZINC001132410943 1375360577 /nfs/dbraw/zinc/36/05/77/1375360577.db2.gz QAZBOSKRLHPFHV-QQXWZLKESA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](C/C=C\c2ccccc2)C1 ZINC001132410943 1375360583 /nfs/dbraw/zinc/36/05/83/1375360583.db2.gz QAZBOSKRLHPFHV-QQXWZLKESA-N 2 1 343.515 3.011 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1Cc1cccc(F)c1 ZINC001132434482 1375378515 /nfs/dbraw/zinc/37/85/15/1375378515.db2.gz XJJJJRMPMNSVGP-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C)cc2)C1 ZINC001132435018 1375379683 /nfs/dbraw/zinc/37/96/83/1375379683.db2.gz AHKNKECNPQXTHH-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2)C1 ZINC001132435018 1375379685 /nfs/dbraw/zinc/37/96/85/1375379685.db2.gz AHKNKECNPQXTHH-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)cc2)C1 ZINC001132435018 1375379690 /nfs/dbraw/zinc/37/96/90/1375379690.db2.gz AHKNKECNPQXTHH-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CCCC2CCC2)C1 ZINC001132437044 1375381158 /nfs/dbraw/zinc/38/11/58/1375381158.db2.gz PMDSXTFEOQGZOK-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCC2CCC2)C1 ZINC001132437044 1375381165 /nfs/dbraw/zinc/38/11/65/1375381165.db2.gz PMDSXTFEOQGZOK-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC2CCC2)C1 ZINC001132437044 1375381168 /nfs/dbraw/zinc/38/11/68/1375381168.db2.gz PMDSXTFEOQGZOK-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)CC ZINC001227149988 1375397476 /nfs/dbraw/zinc/39/74/76/1375397476.db2.gz JBXNUIYUKIGPJF-AQRBRUGDSA-N 2 1 337.552 3.480 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001227150413 1375397768 /nfs/dbraw/zinc/39/77/68/1375397768.db2.gz QLRGXESHKWARPC-QZTJIDSGSA-N 2 1 337.552 3.314 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1F ZINC001227158361 1375400348 /nfs/dbraw/zinc/40/03/48/1375400348.db2.gz GPMCUVGFPWCKAB-QZTJIDSGSA-N 2 1 349.494 3.073 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132518668 1375436896 /nfs/dbraw/zinc/43/68/96/1375436896.db2.gz MNZQNUDABBYEPG-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001132518668 1375436907 /nfs/dbraw/zinc/43/69/07/1375436907.db2.gz MNZQNUDABBYEPG-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001132518668 1375436916 /nfs/dbraw/zinc/43/69/16/1375436916.db2.gz MNZQNUDABBYEPG-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132525902 1375441655 /nfs/dbraw/zinc/44/16/55/1375441655.db2.gz WPYRVWMJQGAESY-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001227791336 1375474952 /nfs/dbraw/zinc/47/49/52/1375474952.db2.gz CDRUJCGQOHSYFC-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001227876039 1375486152 /nfs/dbraw/zinc/48/61/52/1375486152.db2.gz DRYBWVDCEVDSKO-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC/C=C/CC[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001227876776 1375486197 /nfs/dbraw/zinc/48/61/97/1375486197.db2.gz KOHSTBFLDTVNOO-ZMBJWTFHSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001228617901 1375619050 /nfs/dbraw/zinc/61/90/50/1375619050.db2.gz FKNJLQVNOWPEBD-IAGOWNOFSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001228647021 1375626448 /nfs/dbraw/zinc/62/64/48/1375626448.db2.gz NECLYYQJGIELMB-IAGOWNOFSA-N 2 1 325.541 3.027 20 0 EGADMP CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133012698 1375711385 /nfs/dbraw/zinc/71/13/85/1375711385.db2.gz UNGSBXVUKGOEAA-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+]1CC[C@H](Oc2ccc3c(n2)C[NH+](Cc2ccccc2)CC3)C1 ZINC001229058094 1375753424 /nfs/dbraw/zinc/75/34/24/1375753424.db2.gz UOTGKQLHFASSCS-IBGZPJMESA-N 2 1 337.467 3.113 20 0 EGADMP CC[N@H+]1CC[C@H](Oc2ccc3c(n2)C[NH+](Cc2ccccc2)CC3)C1 ZINC001229058094 1375753428 /nfs/dbraw/zinc/75/34/28/1375753428.db2.gz UOTGKQLHFASSCS-IBGZPJMESA-N 2 1 337.467 3.113 20 0 EGADMP CC[NH+]1CC[C@H](Oc2ccc3c(n2)C[N@@H+](Cc2ccccc2)CC3)C1 ZINC001229058094 1375753432 /nfs/dbraw/zinc/75/34/32/1375753432.db2.gz UOTGKQLHFASSCS-IBGZPJMESA-N 2 1 337.467 3.113 20 0 EGADMP CC[NH+]1CC[C@H](Oc2ccc3c(n2)C[N@H+](Cc2ccccc2)CC3)C1 ZINC001229058094 1375753435 /nfs/dbraw/zinc/75/34/35/1375753435.db2.gz UOTGKQLHFASSCS-IBGZPJMESA-N 2 1 337.467 3.113 20 0 EGADMP [NH2+]=C(NO)c1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1F ZINC001229078757 1375759229 /nfs/dbraw/zinc/75/92/29/1375759229.db2.gz MAWJIWZWTUCOGD-MRXNPFEDSA-N 2 1 343.402 3.173 20 0 EGADMP [NH2+]=C(NO)c1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC001229078757 1375759233 /nfs/dbraw/zinc/75/92/33/1375759233.db2.gz MAWJIWZWTUCOGD-MRXNPFEDSA-N 2 1 343.402 3.173 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001229215893 1375789397 /nfs/dbraw/zinc/78/93/97/1375789397.db2.gz WOVFPVZHDCVWOQ-QGZVFWFLSA-N 2 1 339.568 3.227 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133274356 1375888376 /nfs/dbraw/zinc/88/83/76/1375888376.db2.gz HACIIGAHODIGTN-AZUAARDMSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC001229860494 1375906740 /nfs/dbraw/zinc/90/67/40/1375906740.db2.gz UZJKZWYSHRJGRA-KBAGWLGSSA-N 2 1 343.515 3.059 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001229868745 1375908631 /nfs/dbraw/zinc/90/86/31/1375908631.db2.gz MIJWFSDSOBCWHI-RTBURBONSA-N 2 1 337.552 3.316 20 0 EGADMP CC[C@H](F)C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001230017471 1375931394 /nfs/dbraw/zinc/93/13/94/1375931394.db2.gz WVFQODXRYLNBGW-HKUYNNGSSA-N 2 1 349.494 3.008 20 0 EGADMP CCC/C=C\CC[NH+]1CCC(NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001230052902 1375936708 /nfs/dbraw/zinc/93/67/08/1375936708.db2.gz PURZAVXQQHGBGT-SREVYHEPSA-N 2 1 344.503 3.088 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230516774 1376048176 /nfs/dbraw/zinc/04/81/76/1376048176.db2.gz UJGKJLNRNRHXLM-AUUYWEPGSA-N 2 1 336.439 3.435 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230516774 1376048187 /nfs/dbraw/zinc/04/81/87/1376048187.db2.gz UJGKJLNRNRHXLM-AUUYWEPGSA-N 2 1 336.439 3.435 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230516774 1376048202 /nfs/dbraw/zinc/04/82/02/1376048202.db2.gz UJGKJLNRNRHXLM-AUUYWEPGSA-N 2 1 336.439 3.435 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001133845806 1376229136 /nfs/dbraw/zinc/22/91/36/1376229136.db2.gz NOARCNPKKORAML-IRXDYDNUSA-N 2 1 345.531 3.093 20 0 EGADMP Nc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001232369921 1376451491 /nfs/dbraw/zinc/45/14/91/1376451491.db2.gz GDHCQIAMDMTASF-WOJBJXKFSA-N 2 1 336.483 3.008 20 0 EGADMP C[NH+](Cc1ccc(CCO)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001232779920 1376511595 /nfs/dbraw/zinc/51/15/95/1376511595.db2.gz XXYXLTCKJYMNPC-QFIPXVFZSA-N 2 1 338.495 3.175 20 0 EGADMP Cc1ccc(CN2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)cc1O ZINC001233228630 1376592978 /nfs/dbraw/zinc/59/29/78/1376592978.db2.gz FIGJNBBXCYCSFU-FQEVSTJZSA-N 2 1 332.488 3.023 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612017 1376624605 /nfs/dbraw/zinc/62/46/05/1376624605.db2.gz GKXXAHZVRGLURV-JKSUJKDBSA-N 2 1 325.541 3.170 20 0 EGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(C(=O)OC)c(OC)c2)CC1 ZINC001233541269 1376666483 /nfs/dbraw/zinc/66/64/83/1376666483.db2.gz FJKLPDBBECTWPB-UHFFFAOYSA-N 2 1 348.487 3.178 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C(=O)OC)c(OC)c2)CC1 ZINC001233541269 1376666486 /nfs/dbraw/zinc/66/64/86/1376666486.db2.gz FJKLPDBBECTWPB-UHFFFAOYSA-N 2 1 348.487 3.178 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001134726391 1376679406 /nfs/dbraw/zinc/67/94/06/1376679406.db2.gz VGAWAPXVSVIQNC-HNNXBMFYSA-N 2 1 346.450 3.003 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001134765987 1376710102 /nfs/dbraw/zinc/71/01/02/1376710102.db2.gz BWYFMRYHZKGVTM-HXUWFJFHSA-N 2 1 343.515 3.033 20 0 EGADMP CC[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001134767311 1376710297 /nfs/dbraw/zinc/71/02/97/1376710297.db2.gz VOMAJRVNHPYVTR-RBUKOAKNSA-N 2 1 331.504 3.106 20 0 EGADMP CCC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134774158 1376713875 /nfs/dbraw/zinc/71/38/75/1376713875.db2.gz VYMDNKLVXVKBQC-XMNQGQKYSA-N 2 1 325.541 3.336 20 0 EGADMP Cc1cccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cc2)c1 ZINC001235037033 1376837694 /nfs/dbraw/zinc/83/76/94/1376837694.db2.gz BKIQUBRWOIHZOJ-FGZHOGPDSA-N 2 1 336.479 3.472 20 0 EGADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235039382 1376838581 /nfs/dbraw/zinc/83/85/81/1376838581.db2.gz ZKMVHXZXLBRULO-IOMROCGXSA-N 2 1 330.516 3.299 20 0 EGADMP Fc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c(F)c1F ZINC001235428561 1376869889 /nfs/dbraw/zinc/86/98/89/1376869889.db2.gz QQHCDAKDWFDFCN-NWDGAFQWSA-N 2 1 330.369 3.455 20 0 EGADMP Fc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c(F)c1F ZINC001235428561 1376869894 /nfs/dbraw/zinc/86/98/94/1376869894.db2.gz QQHCDAKDWFDFCN-NWDGAFQWSA-N 2 1 330.369 3.455 20 0 EGADMP Oc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1OCC1CC1 ZINC001235427793 1376870026 /nfs/dbraw/zinc/87/00/26/1376870026.db2.gz OHCZTHYYCVGOIP-OALUTQOASA-N 2 1 344.499 3.393 20 0 EGADMP Clc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc2c1OCO2 ZINC001235430439 1376872071 /nfs/dbraw/zinc/87/20/71/1376872071.db2.gz SYVXDTPKHYCBIK-GJZGRUSLSA-N 2 1 336.863 3.280 20 0 EGADMP FC(F)(F)c1ccccc1OC1C[NH+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001235704830 1376884474 /nfs/dbraw/zinc/88/44/74/1376884474.db2.gz BUBYEKYSTHHZIQ-ZDUSSCGKSA-N 2 1 328.378 3.158 20 0 EGADMP Clc1cccc([C@H]2CC[N@@H+](CC[C@H]3C[NH2+]CCO3)C2)c1Cl ZINC001235885229 1376911495 /nfs/dbraw/zinc/91/14/95/1376911495.db2.gz TWYLNECEKZDKPQ-STQMWFEESA-N 2 1 329.271 3.161 20 0 EGADMP Cc1cc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c(Br)cc1F ZINC001236007235 1376925280 /nfs/dbraw/zinc/92/52/80/1376925280.db2.gz UTQZCJILTALZEZ-UHFFFAOYSA-N 2 1 341.268 3.472 20 0 EGADMP c1csc([C@H]2C[NH2+]CCN2C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001236113780 1376933838 /nfs/dbraw/zinc/93/38/38/1376933838.db2.gz IUHDVKCXANUKMH-RTBURBONSA-N 2 1 341.524 3.217 20 0 EGADMP c1csc([C@H]2C[NH2+]CCN2C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001236113779 1376933865 /nfs/dbraw/zinc/93/38/65/1376933865.db2.gz IUHDVKCXANUKMH-RBUKOAKNSA-N 2 1 341.524 3.217 20 0 EGADMP CCC[N@@H+](Cc1cncc(OCc2ccccc2)c1)C[C@H]1CC[NH2+]C1 ZINC001236844660 1376966861 /nfs/dbraw/zinc/96/68/61/1376966861.db2.gz XMBUKTQZJMMDSO-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP CCC[N@H+](Cc1cncc(OCc2ccccc2)c1)C[C@H]1CC[NH2+]C1 ZINC001236844660 1376966864 /nfs/dbraw/zinc/96/68/64/1376966864.db2.gz XMBUKTQZJMMDSO-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP Clc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCCC[C@@]13C[NH2+]CCO3)C2 ZINC001246160488 1377050340 /nfs/dbraw/zinc/05/03/40/1377050340.db2.gz NGKQAXKUCXCCKS-CEXWTWQISA-N 2 1 334.891 3.088 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])N1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246546871 1377051979 /nfs/dbraw/zinc/05/19/79/1377051979.db2.gz NLELCFHLGLZAOF-JBINPLMMSA-N 2 1 327.516 3.384 20 0 EGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC001246546505 1377052191 /nfs/dbraw/zinc/05/21/91/1377052191.db2.gz GODQDLWYRZIWMM-RLLQIKCJSA-N 3 1 333.495 3.192 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@](F)(C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001246546505 1377052194 /nfs/dbraw/zinc/05/21/94/1377052194.db2.gz GODQDLWYRZIWMM-RLLQIKCJSA-N 3 1 333.495 3.192 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@](F)(C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001246546505 1377052196 /nfs/dbraw/zinc/05/21/96/1377052196.db2.gz GODQDLWYRZIWMM-RLLQIKCJSA-N 3 1 333.495 3.192 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246546505 1377052199 /nfs/dbraw/zinc/05/21/99/1377052199.db2.gz GODQDLWYRZIWMM-RLLQIKCJSA-N 3 1 333.495 3.192 20 0 EGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246546505 1377052201 /nfs/dbraw/zinc/05/22/01/1377052201.db2.gz GODQDLWYRZIWMM-RLLQIKCJSA-N 3 1 333.495 3.192 20 0 EGADMP CC[C@@H]1C[C@H]([N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246722085 1377053516 /nfs/dbraw/zinc/05/35/16/1377053516.db2.gz GXVFWTHEHVXXQF-MLYOOKFZSA-N 2 1 329.488 3.093 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1)C2 ZINC001246938178 1377055765 /nfs/dbraw/zinc/05/57/65/1377055765.db2.gz RQOZHPIPTSYJJB-MHTWAQMVSA-N 2 1 345.506 3.395 20 0 EGADMP C[NH2+]C[C@H]1CCCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246939213 1377056088 /nfs/dbraw/zinc/05/60/88/1377056088.db2.gz QZNPZCROSXGSFG-MHTWAQMVSA-N 2 1 327.516 3.256 20 0 EGADMP C[N@H+]1CCC[C@@H](N2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526680 1377106684 /nfs/dbraw/zinc/10/66/84/1377106684.db2.gz STROCVWABRHPKW-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@@H](N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001254526680 1377106688 /nfs/dbraw/zinc/10/66/88/1377106688.db2.gz STROCVWABRHPKW-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@@H](N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001254526680 1377106690 /nfs/dbraw/zinc/10/66/90/1377106690.db2.gz STROCVWABRHPKW-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP Cc1cc2ccccc2nc1N1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254529763 1377106713 /nfs/dbraw/zinc/10/67/13/1377106713.db2.gz PVPXPLFVQYHKGF-LJQANCHMSA-N 2 1 338.499 3.150 20 0 EGADMP Cc1cc2ccccc2nc1N1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254529763 1377106714 /nfs/dbraw/zinc/10/67/14/1377106714.db2.gz PVPXPLFVQYHKGF-LJQANCHMSA-N 2 1 338.499 3.150 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135475466 1377110223 /nfs/dbraw/zinc/11/02/23/1377110223.db2.gz AVFXLUUOYTYYBK-IRXDYDNUSA-N 2 1 333.520 3.037 20 0 EGADMP CCOC(=O)C1CCC(N(c2[nH+]cccc2C)C2CC[NH2+]CC2)CC1 ZINC001255266404 1377110360 /nfs/dbraw/zinc/11/03/60/1377110360.db2.gz LUQOOJZFQOTHJN-UHFFFAOYSA-N 2 1 345.487 3.070 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1)[NH2+]CCCC1CCC1 ZINC001135477186 1377110618 /nfs/dbraw/zinc/11/06/18/1377110618.db2.gz SBYDQLXQKYSEAF-SJORKVTESA-N 2 1 337.552 3.172 20 0 EGADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+]([C@H](C)CCC(C)C)CCC2 ZINC001256365774 1377111721 /nfs/dbraw/zinc/11/17/21/1377111721.db2.gz SUGYEMSUSQPZON-QGZVFWFLSA-N 2 1 348.535 3.116 20 0 EGADMP CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001265619631 1377155255 /nfs/dbraw/zinc/15/52/55/1377155255.db2.gz QIMAYXMYTJPSJJ-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135601738 1377159677 /nfs/dbraw/zinc/15/96/77/1377159677.db2.gz XFVNMOWUDVRJPI-DLBZAZTESA-N 2 1 336.524 3.316 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CC1 ZINC001135690178 1377184348 /nfs/dbraw/zinc/18/43/48/1377184348.db2.gz FMEDCQQUBNSJHH-SJORKVTESA-N 2 1 325.541 3.172 20 0 EGADMP CCc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[NH+](C)C)cc1 ZINC001135717628 1377193494 /nfs/dbraw/zinc/19/34/94/1377193494.db2.gz XNTWAPGRONMKKX-PMACEKPBSA-N 2 1 345.531 3.088 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1cccc(C)c1 ZINC001327290912 1388485989 /nfs/dbraw/zinc/48/59/89/1388485989.db2.gz JUNKIVBDAFNYON-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CCC[N@H+](C)Cc1cccc(C)c1 ZINC001327290912 1388485992 /nfs/dbraw/zinc/48/59/92/1388485992.db2.gz JUNKIVBDAFNYON-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CCC[N@@H+](C)Cc1cccc(C)c1 ZINC001327290912 1388485994 /nfs/dbraw/zinc/48/59/94/1388485994.db2.gz JUNKIVBDAFNYON-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135860709 1377238005 /nfs/dbraw/zinc/23/80/05/1377238005.db2.gz GOERGKNEHVDNFO-SJORKVTESA-N 2 1 339.568 3.418 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135861956 1377238730 /nfs/dbraw/zinc/23/87/30/1377238730.db2.gz ZNICTYSUGMNPRD-IRXDYDNUSA-N 2 1 337.552 3.172 20 0 EGADMP CC[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)c1ccc2ccccc2c1)[NH+](C)C ZINC001266326606 1377273785 /nfs/dbraw/zinc/27/37/85/1377273785.db2.gz FVXNMJXYQXRDCP-UZLBHIALSA-N 2 1 341.499 3.289 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135974473 1377283623 /nfs/dbraw/zinc/28/36/23/1377283623.db2.gz PTYKKYWOEDNLHE-RBUKOAKNSA-N 2 1 347.547 3.408 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001135979972 1377286064 /nfs/dbraw/zinc/28/60/64/1377286064.db2.gz KRDUXSRZNFPQHN-RTBURBONSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCCn2ccnc2)C1 ZINC001266364507 1377296814 /nfs/dbraw/zinc/29/68/14/1377296814.db2.gz WZFBFRXQHQONSV-RTBURBONSA-N 2 1 340.471 3.005 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001266546868 1377331031 /nfs/dbraw/zinc/33/10/31/1377331031.db2.gz YLOAGFIVEUFFQL-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC001266546868 1377331034 /nfs/dbraw/zinc/33/10/34/1377331034.db2.gz YLOAGFIVEUFFQL-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001266546868 1377331038 /nfs/dbraw/zinc/33/10/38/1377331038.db2.gz YLOAGFIVEUFFQL-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC[N@H+]1C1CCCC1)c1ccsc1 ZINC001136215243 1377365010 /nfs/dbraw/zinc/36/50/10/1377365010.db2.gz CFQYBUBMOBUCJE-ROUUACIJSA-N 2 1 349.544 3.264 20 0 EGADMP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001136536108 1377403498 /nfs/dbraw/zinc/40/34/98/1377403498.db2.gz RHWMKNSZFQLUHY-VQTJNVASSA-N 2 1 345.531 3.230 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)CCC1CCCC1 ZINC001267250500 1377431737 /nfs/dbraw/zinc/43/17/37/1377431737.db2.gz KUGUCKMWMWBFGN-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001267563688 1377457909 /nfs/dbraw/zinc/45/79/09/1377457909.db2.gz CYYZSQXFABESCA-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5c(c4)COC5)C[C@H]3C2)cc1 ZINC001137027347 1377460586 /nfs/dbraw/zinc/46/05/86/1377460586.db2.gz UYIBGDGJEZCFNF-FGZHOGPDSA-N 2 1 334.463 3.281 20 0 EGADMP CCCc1ccc(C[NH+]2CCC[C@@H](NC(=O)C[N@H+](C)CCC)C2)cc1 ZINC001268114452 1377487455 /nfs/dbraw/zinc/48/74/55/1377487455.db2.gz QHEXVFFTLDSSLX-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCCc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)CCC)C2)cc1 ZINC001268114452 1377487456 /nfs/dbraw/zinc/48/74/56/1377487456.db2.gz QHEXVFFTLDSSLX-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCCc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)CCC)C2)cc1 ZINC001268114452 1377487457 /nfs/dbraw/zinc/48/74/57/1377487457.db2.gz QHEXVFFTLDSSLX-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP Cc1csc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001137155738 1377487463 /nfs/dbraw/zinc/48/74/63/1377487463.db2.gz GXGWFDQRUMVENV-UHFFFAOYSA-N 2 1 344.528 3.297 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001137206926 1377496648 /nfs/dbraw/zinc/49/66/48/1377496648.db2.gz RGBUSGDGWLXFPE-UHFFFAOYSA-N 2 1 325.456 3.161 20 0 EGADMP COC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c(OC)c1 ZINC001137453109 1377549310 /nfs/dbraw/zinc/54/93/10/1377549310.db2.gz LHPNBOBDLAUMNO-UHFFFAOYSA-N 2 1 348.487 3.034 20 0 EGADMP CCc1ccccc1C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001269345465 1377552190 /nfs/dbraw/zinc/55/21/90/1377552190.db2.gz RIQGNIVORFJNAG-UXHICEINSA-N 2 1 345.531 3.012 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3N3CCCCC3)C[C@@H]2C1 ZINC001138606887 1377751621 /nfs/dbraw/zinc/75/16/21/1377751621.db2.gz AXLOQEQPDLMWMW-BGYRXZFFSA-N 2 1 327.516 3.451 20 0 EGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3N3CCCCC3)C[C@@H]2C1 ZINC001138606887 1377751619 /nfs/dbraw/zinc/75/16/19/1377751619.db2.gz AXLOQEQPDLMWMW-BGYRXZFFSA-N 2 1 327.516 3.451 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3N3CCCCC3)C[C@@H]2C1 ZINC001138606887 1377751620 /nfs/dbraw/zinc/75/16/20/1377751620.db2.gz AXLOQEQPDLMWMW-BGYRXZFFSA-N 2 1 327.516 3.451 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3N3CCCCC3)C[C@@H]2C1 ZINC001138606887 1377751622 /nfs/dbraw/zinc/75/16/22/1377751622.db2.gz AXLOQEQPDLMWMW-BGYRXZFFSA-N 2 1 327.516 3.451 20 0 EGADMP c1ncn(-c2ccc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cc2)n1 ZINC001139332809 1377868950 /nfs/dbraw/zinc/86/89/50/1377868950.db2.gz NKGBLIQRIOCVCV-LJQANCHMSA-N 2 1 339.487 3.108 20 0 EGADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001139418776 1377880801 /nfs/dbraw/zinc/88/08/01/1377880801.db2.gz WLJWGQXQJYDTTN-UHFFFAOYSA-N 2 1 347.890 3.279 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cnc3cccnc3c2)CC1 ZINC001139738820 1377944632 /nfs/dbraw/zinc/94/46/32/1377944632.db2.gz JUIPIEMUPKVXIP-UHFFFAOYSA-N 2 1 333.439 3.072 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2nccc(Br)c12 ZINC001139945190 1377981124 /nfs/dbraw/zinc/98/11/24/1377981124.db2.gz CQQFRNDAGKYHFB-UHFFFAOYSA-N 2 1 339.281 3.099 20 0 EGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(-c3ccc(Cl)nn3)cc1)C2 ZINC001140412754 1378059322 /nfs/dbraw/zinc/05/93/22/1378059322.db2.gz FTAORGAHJRJPNB-VQIMIIECSA-N 2 1 342.874 3.181 20 0 EGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(-c3ccc(Cl)nn3)cc1)C2 ZINC001140412754 1378059324 /nfs/dbraw/zinc/05/93/24/1378059324.db2.gz FTAORGAHJRJPNB-VQIMIIECSA-N 2 1 342.874 3.181 20 0 EGADMP CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCC[NH+]1CCCCC1 ZINC001272716355 1378079711 /nfs/dbraw/zinc/07/97/11/1378079711.db2.gz DROAAHKKVUBZDZ-HXUWFJFHSA-N 2 1 335.536 3.120 20 0 EGADMP CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2CCC[NH+]1CCCCC1 ZINC001272716355 1378079715 /nfs/dbraw/zinc/07/97/15/1378079715.db2.gz DROAAHKKVUBZDZ-HXUWFJFHSA-N 2 1 335.536 3.120 20 0 EGADMP CCCC[C@H](CC)C[NH2+][C@@]12CC[C@@](NC(=O)C[NH+]3CCC3)(C1)CCC2 ZINC001273362468 1378098877 /nfs/dbraw/zinc/09/88/77/1378098877.db2.gz BKPWUGRIGXVWKG-SESVDKBCSA-N 2 1 349.563 3.460 20 0 EGADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC(F)(F)F)n(C)n1 ZINC001275166113 1378136934 /nfs/dbraw/zinc/13/69/34/1378136934.db2.gz OBYATQAVHPNMDJ-GOOCMWNKSA-N 2 1 344.425 3.156 20 0 EGADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC(F)(F)F)n(C)n1 ZINC001275166113 1378136936 /nfs/dbraw/zinc/13/69/36/1378136936.db2.gz OBYATQAVHPNMDJ-GOOCMWNKSA-N 2 1 344.425 3.156 20 0 EGADMP CCOC(=O)[C@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H]2CCCC[C@@H]12 ZINC001140801155 1378139350 /nfs/dbraw/zinc/13/93/50/1378139350.db2.gz HYQKMKTYRVNIMY-KYJSFNMBSA-N 2 1 341.455 3.364 20 0 EGADMP CCOC(=O)[C@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H]2CCCC[C@@H]12 ZINC001140801155 1378139353 /nfs/dbraw/zinc/13/93/53/1378139353.db2.gz HYQKMKTYRVNIMY-KYJSFNMBSA-N 2 1 341.455 3.364 20 0 EGADMP O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)N1c1ccsc1 ZINC001140803251 1378140521 /nfs/dbraw/zinc/14/05/21/1378140521.db2.gz NKRPNGHUKWTAFR-DLBZAZTESA-N 2 1 338.436 3.004 20 0 EGADMP O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)N1c1ccsc1 ZINC001140803251 1378140523 /nfs/dbraw/zinc/14/05/23/1378140523.db2.gz NKRPNGHUKWTAFR-DLBZAZTESA-N 2 1 338.436 3.004 20 0 EGADMP COc1cc(CN2CCC[C@]3(CCC[N@@H+](C)C3)C2)c(OC)cc1C ZINC001275582330 1378144588 /nfs/dbraw/zinc/14/45/88/1378144588.db2.gz NBBWENYUBYFGRP-FQEVSTJZSA-N 2 1 332.488 3.320 20 0 EGADMP CCCc1ccc(C[NH+]2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)cc1 ZINC001275768336 1378156351 /nfs/dbraw/zinc/15/63/51/1378156351.db2.gz SMMWZWBJAJDFLT-UHFFFAOYSA-N 2 1 343.559 3.489 20 0 EGADMP CCCc1ccc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3)CC2)cc1 ZINC001275768336 1378156355 /nfs/dbraw/zinc/15/63/55/1378156355.db2.gz SMMWZWBJAJDFLT-UHFFFAOYSA-N 2 1 343.559 3.489 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC001327499809 1388536998 /nfs/dbraw/zinc/53/69/98/1388536998.db2.gz VMCJKSVCHKMZHV-UHFFFAOYSA-N 2 1 336.549 3.406 20 0 EGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccnc(-c4ccc(F)cc4)c3)C[C@@H]2C1 ZINC001141122251 1378244809 /nfs/dbraw/zinc/24/48/09/1378244809.db2.gz SZSAMBIHKSNXHM-HDICACEKSA-N 2 1 325.431 3.271 20 0 EGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccnc(-c4ccc(F)cc4)c3)C[C@@H]2C1 ZINC001141122251 1378244811 /nfs/dbraw/zinc/24/48/11/1378244811.db2.gz SZSAMBIHKSNXHM-HDICACEKSA-N 2 1 325.431 3.271 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccnc(-c4ccc(F)cc4)c3)C[C@@H]2C1 ZINC001141122251 1378244816 /nfs/dbraw/zinc/24/48/16/1378244816.db2.gz SZSAMBIHKSNXHM-HDICACEKSA-N 2 1 325.431 3.271 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccnc(-c4ccc(F)cc4)c3)C[C@@H]2C1 ZINC001141122251 1378244821 /nfs/dbraw/zinc/24/48/21/1378244821.db2.gz SZSAMBIHKSNXHM-HDICACEKSA-N 2 1 325.431 3.271 20 0 EGADMP C[NH+](C)CCN1CCC2(CC1)C[N@@H+](CCCCF)Cc1ccccc12 ZINC001278205403 1378262551 /nfs/dbraw/zinc/26/25/51/1378262551.db2.gz KPCDMYPQBPGKKF-UHFFFAOYSA-N 2 1 347.522 3.147 20 0 EGADMP CN(C)CC[NH+]1CCC2(CC1)C[N@H+](CCCCF)Cc1ccccc12 ZINC001278205403 1378262553 /nfs/dbraw/zinc/26/25/53/1378262553.db2.gz KPCDMYPQBPGKKF-UHFFFAOYSA-N 2 1 347.522 3.147 20 0 EGADMP CN(C)CC[NH+]1CCC2(CC1)C[N@@H+](CCCCF)Cc1ccccc12 ZINC001278205403 1378262560 /nfs/dbraw/zinc/26/25/60/1378262560.db2.gz KPCDMYPQBPGKKF-UHFFFAOYSA-N 2 1 347.522 3.147 20 0 EGADMP CC[NH+](CC)CCN(C)C(=O)[C@H]1CCC[C@]12CC[N@@H+](CCC1CC1)C2 ZINC001278210969 1378263498 /nfs/dbraw/zinc/26/34/98/1378263498.db2.gz FMECJGIAMJSLKV-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cccc(-n2ccnc2)c1 ZINC001141243865 1378281324 /nfs/dbraw/zinc/28/13/24/1378281324.db2.gz AINCQAQVSBSLOC-WDSOQIARSA-N 2 1 339.439 3.036 20 0 EGADMP Cc1nc(C(F)(F)F)ccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001141421664 1378323144 /nfs/dbraw/zinc/32/31/44/1378323144.db2.gz SZPBWOCVPYRAJF-UHFFFAOYSA-N 2 1 336.361 3.126 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCCC[NH+]1CCC1CCCC1 ZINC001282678694 1378551650 /nfs/dbraw/zinc/55/16/50/1378551650.db2.gz YTYIYOAHANUDAP-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CCCC1 ZINC001282678694 1378551653 /nfs/dbraw/zinc/55/16/53/1378551653.db2.gz YTYIYOAHANUDAP-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CCCC1 ZINC001282678694 1378551658 /nfs/dbraw/zinc/55/16/58/1378551658.db2.gz YTYIYOAHANUDAP-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)cc(C)c1F ZINC001143380733 1378589901 /nfs/dbraw/zinc/58/99/01/1378589901.db2.gz SIOTUWITHMSSLR-KDURUIRLSA-N 2 1 339.458 3.401 20 0 EGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(C(F)(F)F)c1 ZINC001143478707 1378602092 /nfs/dbraw/zinc/60/20/92/1378602092.db2.gz KYYSLTHEJICGAN-UHFFFAOYSA-N 2 1 330.394 3.488 20 0 EGADMP COc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccc1Br ZINC001144230053 1378702522 /nfs/dbraw/zinc/70/25/22/1378702522.db2.gz FZHKKVLCONZGQY-UHFFFAOYSA-N 2 1 341.293 3.375 20 0 EGADMP COc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccc1Br ZINC001144230053 1378702524 /nfs/dbraw/zinc/70/25/24/1378702524.db2.gz FZHKKVLCONZGQY-UHFFFAOYSA-N 2 1 341.293 3.375 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001146333936 1378818567 /nfs/dbraw/zinc/81/85/67/1378818567.db2.gz SJPPDSQDUDYDDN-HOTGVXAUSA-N 2 1 334.508 3.035 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001146595448 1378874448 /nfs/dbraw/zinc/87/44/48/1378874448.db2.gz ZQYCWISDDGBXSZ-DLBZAZTESA-N 2 1 325.541 3.170 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC001146746957 1378912622 /nfs/dbraw/zinc/91/26/22/1378912622.db2.gz PDHJSVHGDUMVCT-LBPRGKRZSA-N 2 1 346.302 3.102 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541187 1379039190 /nfs/dbraw/zinc/03/91/90/1379039190.db2.gz LKWNTAXEEDQWQQ-RURPWVQCSA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147541187 1379039197 /nfs/dbraw/zinc/03/91/97/1379039197.db2.gz LKWNTAXEEDQWQQ-RURPWVQCSA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147541187 1379039206 /nfs/dbraw/zinc/03/92/06/1379039206.db2.gz LKWNTAXEEDQWQQ-RURPWVQCSA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001147741996 1379070682 /nfs/dbraw/zinc/07/06/82/1379070682.db2.gz CRDUWJOFKXZLAY-ZMBJWTFHSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001147741996 1379070687 /nfs/dbraw/zinc/07/06/87/1379070687.db2.gz CRDUWJOFKXZLAY-ZMBJWTFHSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001147741996 1379070690 /nfs/dbraw/zinc/07/06/90/1379070690.db2.gz CRDUWJOFKXZLAY-ZMBJWTFHSA-N 2 1 347.547 3.142 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001147774159 1379076579 /nfs/dbraw/zinc/07/65/79/1379076579.db2.gz RPYMPTXDKUTDBE-MOPGFXCFSA-N 2 1 347.547 3.118 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001147774159 1379076582 /nfs/dbraw/zinc/07/65/82/1379076582.db2.gz RPYMPTXDKUTDBE-MOPGFXCFSA-N 2 1 347.547 3.118 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001147774159 1379076586 /nfs/dbraw/zinc/07/65/86/1379076586.db2.gz RPYMPTXDKUTDBE-MOPGFXCFSA-N 2 1 347.547 3.118 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CCC3(CN(C(=O)CCC[NH+](C)C)C3)C2)C1 ZINC001148174838 1379128491 /nfs/dbraw/zinc/12/84/91/1379128491.db2.gz YCQOMNAYBYBWFA-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001283704596 1379129913 /nfs/dbraw/zinc/12/99/13/1379129913.db2.gz NVEDOEBKDPYNMI-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC2(C1)CC[N@@H+](CCCC(C)(C)C)C2 ZINC001148819991 1379275662 /nfs/dbraw/zinc/27/56/62/1379275662.db2.gz SFZHFYKKEDHZOC-QZTJIDSGSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001148833606 1379278594 /nfs/dbraw/zinc/27/85/94/1379278594.db2.gz CYIQHOCITJLBFQ-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)C1CCC(C[NH2+]CCNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001149252910 1379354457 /nfs/dbraw/zinc/35/44/57/1379354457.db2.gz BZGLTUVGQQONLT-NGICGMGXSA-N 2 1 349.563 3.031 20 0 EGADMP CC[N@@H+](Cc1ccccc1C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153312250 1380054367 /nfs/dbraw/zinc/05/43/67/1380054367.db2.gz BVLHJJDVPFXDEA-QUCCMNQESA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](Cc1ccccc1C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153312250 1380054370 /nfs/dbraw/zinc/05/43/70/1380054370.db2.gz BVLHJJDVPFXDEA-QUCCMNQESA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](Cc1ccccc1C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153312250 1380054372 /nfs/dbraw/zinc/05/43/72/1380054372.db2.gz BVLHJJDVPFXDEA-QUCCMNQESA-N 2 1 345.531 3.194 20 0 EGADMP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153451835 1380079053 /nfs/dbraw/zinc/07/90/53/1380079053.db2.gz KPDDTZUPHZMEAG-ZHALLVOQSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153451835 1380079056 /nfs/dbraw/zinc/07/90/56/1380079056.db2.gz KPDDTZUPHZMEAG-ZHALLVOQSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153451835 1380079060 /nfs/dbraw/zinc/07/90/60/1380079060.db2.gz KPDDTZUPHZMEAG-ZHALLVOQSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001153814753 1380135465 /nfs/dbraw/zinc/13/54/65/1380135465.db2.gz WQRLCUBTNOBNII-RTBURBONSA-N 2 1 339.568 3.371 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001153814753 1380135469 /nfs/dbraw/zinc/13/54/69/1380135469.db2.gz WQRLCUBTNOBNII-RTBURBONSA-N 2 1 339.568 3.371 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001153814753 1380135470 /nfs/dbraw/zinc/13/54/70/1380135470.db2.gz WQRLCUBTNOBNII-RTBURBONSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001153818858 1380136201 /nfs/dbraw/zinc/13/62/01/1380136201.db2.gz CYYBRRIUNBONFG-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](CC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001153818858 1380136202 /nfs/dbraw/zinc/13/62/02/1380136202.db2.gz CYYBRRIUNBONFG-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](CC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001153818858 1380136203 /nfs/dbraw/zinc/13/62/03/1380136203.db2.gz CYYBRRIUNBONFG-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001153818788 1380136274 /nfs/dbraw/zinc/13/62/74/1380136274.db2.gz APDKFMIBGVNSNL-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001153818788 1380136275 /nfs/dbraw/zinc/13/62/75/1380136275.db2.gz APDKFMIBGVNSNL-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001153818788 1380136277 /nfs/dbraw/zinc/13/62/77/1380136277.db2.gz APDKFMIBGVNSNL-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153879252 1380148360 /nfs/dbraw/zinc/14/83/60/1380148360.db2.gz BYISTWMTEMDFSB-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](Cc1cccc(C)c1)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153879252 1380148362 /nfs/dbraw/zinc/14/83/62/1380148362.db2.gz BYISTWMTEMDFSB-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](Cc1cccc(C)c1)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153879252 1380148364 /nfs/dbraw/zinc/14/83/64/1380148364.db2.gz BYISTWMTEMDFSB-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990991 1380172806 /nfs/dbraw/zinc/17/28/06/1380172806.db2.gz ZSUTYFUXDWVDPV-GOSISDBHSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033708 1380187101 /nfs/dbraw/zinc/18/71/01/1380187101.db2.gz KHRCFMLKMWOGLG-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154033708 1380187104 /nfs/dbraw/zinc/18/71/04/1380187104.db2.gz KHRCFMLKMWOGLG-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154033708 1380187105 /nfs/dbraw/zinc/18/71/05/1380187105.db2.gz KHRCFMLKMWOGLG-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154034350 1380188240 /nfs/dbraw/zinc/18/82/40/1380188240.db2.gz ZBZILBFHQAYEIQ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154034350 1380188246 /nfs/dbraw/zinc/18/82/46/1380188246.db2.gz ZBZILBFHQAYEIQ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154034350 1380188248 /nfs/dbraw/zinc/18/82/48/1380188248.db2.gz ZBZILBFHQAYEIQ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCCC1 ZINC001154070164 1380198501 /nfs/dbraw/zinc/19/85/01/1380198501.db2.gz RHADKTCDEYUJFX-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CC1CCCCC1)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154070164 1380198503 /nfs/dbraw/zinc/19/85/03/1380198503.db2.gz RHADKTCDEYUJFX-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CC1CCCCC1)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154070164 1380198507 /nfs/dbraw/zinc/19/85/07/1380198507.db2.gz RHADKTCDEYUJFX-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154123370 1380213287 /nfs/dbraw/zinc/21/32/87/1380213287.db2.gz WQZYVHVTOLARJZ-QZTJIDSGSA-N 2 1 339.568 3.370 20 0 EGADMP CC[NH+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001154123370 1380213289 /nfs/dbraw/zinc/21/32/89/1380213289.db2.gz WQZYVHVTOLARJZ-QZTJIDSGSA-N 2 1 339.568 3.370 20 0 EGADMP CC[NH+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001154123370 1380213291 /nfs/dbraw/zinc/21/32/91/1380213291.db2.gz WQZYVHVTOLARJZ-QZTJIDSGSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167657 1380219857 /nfs/dbraw/zinc/21/98/57/1380219857.db2.gz NYYSPSMAAGFBGP-GOSISDBHSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263632 1380430094 /nfs/dbraw/zinc/43/00/94/1380430094.db2.gz UDGDCHUWDMHLND-QGZVFWFLSA-N 2 1 327.557 3.371 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001155263632 1380430095 /nfs/dbraw/zinc/43/00/95/1380430095.db2.gz UDGDCHUWDMHLND-QGZVFWFLSA-N 2 1 327.557 3.371 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001155263632 1380430096 /nfs/dbraw/zinc/43/00/96/1380430096.db2.gz UDGDCHUWDMHLND-QGZVFWFLSA-N 2 1 327.557 3.371 20 0 EGADMP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559043 1380468649 /nfs/dbraw/zinc/46/86/49/1380468649.db2.gz KHWFJEBZQFOQFA-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559043 1380468650 /nfs/dbraw/zinc/46/86/50/1380468650.db2.gz KHWFJEBZQFOQFA-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP Cc1ccc2c(C)cc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)[nH+]c2c1C ZINC001155625884 1380475346 /nfs/dbraw/zinc/47/53/46/1380475346.db2.gz NYSBFMVZYFIYEL-OXQOHEQNSA-N 2 1 325.456 3.483 20 0 EGADMP CC[N@@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631733 1380476619 /nfs/dbraw/zinc/47/66/19/1380476619.db2.gz YWZDZYOMMKYKRM-GOSISDBHSA-N 2 1 345.531 3.054 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631523 1380476742 /nfs/dbraw/zinc/47/67/42/1380476742.db2.gz RSKOCLZNZDLGIT-CNZFZVQHSA-N 2 1 337.552 3.291 20 0 EGADMP Cc1cnc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c(C[NH3+])c1 ZINC001156317739 1380557467 /nfs/dbraw/zinc/55/74/67/1380557467.db2.gz NEWXXAJVIJTGFG-YZGWKJHDSA-N 2 1 336.483 3.171 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001156319159 1380557906 /nfs/dbraw/zinc/55/79/06/1380557906.db2.gz OMUQUMAFMYOUMM-IEBWSBKVSA-N 2 1 333.520 3.306 20 0 EGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001156319159 1380557907 /nfs/dbraw/zinc/55/79/07/1380557907.db2.gz OMUQUMAFMYOUMM-IEBWSBKVSA-N 2 1 333.520 3.306 20 0 EGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001156319159 1380557908 /nfs/dbraw/zinc/55/79/08/1380557908.db2.gz OMUQUMAFMYOUMM-IEBWSBKVSA-N 2 1 333.520 3.306 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098492 1380775415 /nfs/dbraw/zinc/77/54/15/1380775415.db2.gz IBWHGEPSKKOSHS-GOSISDBHSA-N 2 1 325.541 3.269 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157108674 1380777690 /nfs/dbraw/zinc/77/76/90/1380777690.db2.gz ABTTWYDQXDEUDI-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC1CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001157108674 1380777696 /nfs/dbraw/zinc/77/76/96/1380777696.db2.gz ABTTWYDQXDEUDI-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C/C=C\Cl)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001157119301 1380781477 /nfs/dbraw/zinc/78/14/77/1380781477.db2.gz UGEYABTUNMMVHY-CZDHMLMNSA-N 2 1 343.943 3.076 20 0 EGADMP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157132779 1380782759 /nfs/dbraw/zinc/78/27/59/1380782759.db2.gz PNBJCAHMXQJMJO-MJGOQNOKSA-N 2 1 333.520 3.162 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157132779 1380782763 /nfs/dbraw/zinc/78/27/63/1380782763.db2.gz PNBJCAHMXQJMJO-MJGOQNOKSA-N 2 1 333.520 3.162 20 0 EGADMP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157132203 1380783235 /nfs/dbraw/zinc/78/32/35/1380783235.db2.gz FLKSACFDAOYNCN-VUNJVDIESA-N 2 1 345.531 3.472 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157132203 1380783241 /nfs/dbraw/zinc/78/32/41/1380783241.db2.gz FLKSACFDAOYNCN-VUNJVDIESA-N 2 1 345.531 3.472 20 0 EGADMP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287298 1380834749 /nfs/dbraw/zinc/83/47/49/1380834749.db2.gz OIGLIGNISRCQFL-GOSISDBHSA-N 2 1 347.547 3.381 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287298 1380834758 /nfs/dbraw/zinc/83/47/58/1380834758.db2.gz OIGLIGNISRCQFL-GOSISDBHSA-N 2 1 347.547 3.381 20 0 EGADMP CC[NH+](CCC(C)(C)C)[C@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001157287298 1380834762 /nfs/dbraw/zinc/83/47/62/1380834762.db2.gz OIGLIGNISRCQFL-GOSISDBHSA-N 2 1 347.547 3.381 20 0 EGADMP CC[NH+](CCC(C)(C)C)[C@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001157287298 1380834764 /nfs/dbraw/zinc/83/47/64/1380834764.db2.gz OIGLIGNISRCQFL-GOSISDBHSA-N 2 1 347.547 3.381 20 0 EGADMP CN(CC[N@H+](C)Cc1ccccc1)c1cc[nH+]c(N2CCCCC2)n1 ZINC001157556643 1380965537 /nfs/dbraw/zinc/96/55/37/1380965537.db2.gz MATHAGOTQSXESF-UHFFFAOYSA-N 2 1 339.487 3.035 20 0 EGADMP CN(CC[N@@H+](C)Cc1ccccc1)c1cc[nH+]c(N2CCCCC2)n1 ZINC001157556643 1380965539 /nfs/dbraw/zinc/96/55/39/1380965539.db2.gz MATHAGOTQSXESF-UHFFFAOYSA-N 2 1 339.487 3.035 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccc(F)cc1 ZINC001157893391 1381062594 /nfs/dbraw/zinc/06/25/94/1381062594.db2.gz FEHYVBFRJPYYIU-OALUTQOASA-N 2 1 349.494 3.246 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001157899263 1381065472 /nfs/dbraw/zinc/06/54/72/1381065472.db2.gz LWMWJZDTPQDUNH-MOPGFXCFSA-N 2 1 331.504 3.106 20 0 EGADMP CC(C)CCC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158100263 1381127298 /nfs/dbraw/zinc/12/72/98/1381127298.db2.gz ZLVDXWAJYWDGQU-SFHVURJKSA-N 2 1 337.552 3.173 20 0 EGADMP CC1(C)CC(C[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001158099962 1381127714 /nfs/dbraw/zinc/12/77/14/1381127714.db2.gz UGOGIZHSSSNJJC-GOSISDBHSA-N 2 1 349.563 3.173 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC1CCC1)[NH+](C)C ZINC001158124924 1381135473 /nfs/dbraw/zinc/13/54/73/1381135473.db2.gz XZEROAZGHGGURI-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP C[N@@H+](CCC1CC1)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186138 1381152424 /nfs/dbraw/zinc/15/24/24/1381152424.db2.gz OMRJLXOWTITIJA-GOSISDBHSA-N 2 1 340.471 3.061 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH2+]Cc1cccc(C)c1 ZINC001158354612 1381214200 /nfs/dbraw/zinc/21/42/00/1381214200.db2.gz HXFZBRUZXZODJM-QGZVFWFLSA-N 2 1 342.487 3.001 20 0 EGADMP CC(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001158605039 1381316596 /nfs/dbraw/zinc/31/65/96/1381316596.db2.gz LAOVAFOVCVKUFL-HXUWFJFHSA-N 2 1 345.531 3.331 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC ZINC001158739699 1381376726 /nfs/dbraw/zinc/37/67/26/1381376726.db2.gz PONFJVNYNHOFCX-GOSISDBHSA-N 2 1 325.541 3.221 20 0 EGADMP C[N@@H+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158751534 1381382571 /nfs/dbraw/zinc/38/25/71/1381382571.db2.gz WLVQKWVYVZIPES-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001158751534 1381382573 /nfs/dbraw/zinc/38/25/73/1381382573.db2.gz WLVQKWVYVZIPES-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001158751534 1381382581 /nfs/dbraw/zinc/38/25/81/1381382581.db2.gz WLVQKWVYVZIPES-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001158923149 1381465463 /nfs/dbraw/zinc/46/54/63/1381465463.db2.gz QFCJLLAZENDYME-GOSISDBHSA-N 2 1 325.541 3.076 20 0 EGADMP CC(C)CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001158923149 1381465466 /nfs/dbraw/zinc/46/54/66/1381465466.db2.gz QFCJLLAZENDYME-GOSISDBHSA-N 2 1 325.541 3.076 20 0 EGADMP CC(C)CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001158923149 1381465472 /nfs/dbraw/zinc/46/54/72/1381465472.db2.gz QFCJLLAZENDYME-GOSISDBHSA-N 2 1 325.541 3.076 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC001328401202 1388737383 /nfs/dbraw/zinc/73/73/83/1388737383.db2.gz UQPMRFRYBSFDMN-JYJNAYRXSA-N 2 1 334.533 3.001 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001159911524 1381935332 /nfs/dbraw/zinc/93/53/32/1381935332.db2.gz ZVDAOOSVQHYZLD-AZUAARDMSA-N 2 1 343.515 3.033 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(NC[C@@H]4CCCC[NH2+]4)ccc3C2)cc1 ZINC001160145881 1382015838 /nfs/dbraw/zinc/01/58/38/1382015838.db2.gz XAOCDGFCWNODRF-IBGZPJMESA-N 2 1 336.483 3.194 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](CCCC(C)(C)C)CC2)CC[N@H+]1C ZINC001160175373 1382025049 /nfs/dbraw/zinc/02/50/49/1382025049.db2.gz OIPBJYACCLGMLQ-IEBWSBKVSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@H+](CCCC(C)(C)C)CC2)CC[NH+]1C ZINC001160175373 1382025054 /nfs/dbraw/zinc/02/50/54/1382025054.db2.gz OIPBJYACCLGMLQ-IEBWSBKVSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@@H+](CCCC(C)(C)C)CC2)CC[NH+]1C ZINC001160175373 1382025058 /nfs/dbraw/zinc/02/50/58/1382025058.db2.gz OIPBJYACCLGMLQ-IEBWSBKVSA-N 2 1 349.563 3.291 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)CC[C@@H]2CCC[N@H+]2C)c1 ZINC001160273348 1382058343 /nfs/dbraw/zinc/05/83/43/1382058343.db2.gz KSMFPGPRSSCOHT-HKUYNNGSSA-N 2 1 331.504 3.026 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160352462 1382080819 /nfs/dbraw/zinc/08/08/19/1382080819.db2.gz IJRUKVWLXLHQPA-HXUWFJFHSA-N 2 1 347.547 3.069 20 0 EGADMP CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352462 1382080824 /nfs/dbraw/zinc/08/08/24/1382080824.db2.gz IJRUKVWLXLHQPA-HXUWFJFHSA-N 2 1 347.547 3.069 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352462 1382080826 /nfs/dbraw/zinc/08/08/26/1382080826.db2.gz IJRUKVWLXLHQPA-HXUWFJFHSA-N 2 1 347.547 3.069 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160368001 1382085285 /nfs/dbraw/zinc/08/52/85/1382085285.db2.gz YFQJMEKWCAOCAB-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160379096 1382087636 /nfs/dbraw/zinc/08/76/36/1382087636.db2.gz BCSFPKWZZPIDCH-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001160379096 1382087647 /nfs/dbraw/zinc/08/76/47/1382087647.db2.gz BCSFPKWZZPIDCH-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001160379096 1382087651 /nfs/dbraw/zinc/08/76/51/1382087651.db2.gz BCSFPKWZZPIDCH-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160405881 1382095690 /nfs/dbraw/zinc/09/56/90/1382095690.db2.gz CQKNFCZJLLBDLA-IBGZPJMESA-N 2 1 337.552 3.147 20 0 EGADMP COc1cc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)[nH+]c2ccccc21 ZINC001160741975 1382184422 /nfs/dbraw/zinc/18/44/22/1382184422.db2.gz ULYAPDGFOASMCQ-YPMHNXCESA-N 2 1 325.334 3.196 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001161020678 1382275934 /nfs/dbraw/zinc/27/59/34/1382275934.db2.gz HUSHPKJMYLKRDY-INIZCTEOSA-N 2 1 347.503 3.139 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161028558 1382276960 /nfs/dbraw/zinc/27/69/60/1382276960.db2.gz GLYBRUMWRGKPQW-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001161042378 1382281173 /nfs/dbraw/zinc/28/11/73/1382281173.db2.gz PLZMQHCZXJGVKI-LJQANCHMSA-N 2 1 345.531 3.064 20 0 EGADMP C[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CCCC2CCCC2)CC1 ZINC001161089732 1382295316 /nfs/dbraw/zinc/29/53/16/1382295316.db2.gz MYWRYGXANFUDLX-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP COc1cc[nH+]c(NC2CC[NH+](Cc3cc(F)ccc3OC)CC2)c1 ZINC001161151747 1382317586 /nfs/dbraw/zinc/31/75/86/1382317586.db2.gz DTPHTFJJGLAAPB-UHFFFAOYSA-N 2 1 345.418 3.314 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001161208054 1382342037 /nfs/dbraw/zinc/34/20/37/1382342037.db2.gz YXHCHXXBQYYNSM-OALUTQOASA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001161208054 1382342042 /nfs/dbraw/zinc/34/20/42/1382342042.db2.gz YXHCHXXBQYYNSM-OALUTQOASA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001161208054 1382342045 /nfs/dbraw/zinc/34/20/45/1382342045.db2.gz YXHCHXXBQYYNSM-OALUTQOASA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001161214288 1382344831 /nfs/dbraw/zinc/34/48/31/1382344831.db2.gz XSIOSQGHZPJKDV-IEBWSBKVSA-N 2 1 337.552 3.291 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)CC)c1ccc(F)cc1 ZINC001161227006 1382348514 /nfs/dbraw/zinc/34/85/14/1382348514.db2.gz SSIZMOVMIIYFPF-QGZVFWFLSA-N 2 1 337.483 3.103 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC001161226356 1382349094 /nfs/dbraw/zinc/34/90/94/1382349094.db2.gz FEGQXEJHPCLONZ-SJORKVTESA-N 2 1 325.541 3.029 20 0 EGADMP c1cc(N2CCCC2)nc(NCC2CC[NH+](CC3CCC3)CC2)[nH+]1 ZINC001161229390 1382350092 /nfs/dbraw/zinc/35/00/92/1382350092.db2.gz SZXBLWCMZYDLFM-UHFFFAOYSA-N 2 1 329.492 3.001 20 0 EGADMP CC[C@@H](C(=O)NCCC1=CC[N@@H+](CCC2CCCC2)CC1)[NH+](C)C ZINC001161238888 1382351074 /nfs/dbraw/zinc/35/10/74/1382351074.db2.gz BYDIACHIFIYMJA-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+]1CCC(CC(=O)NCCC2=CC[N@@H+](CCC(C)(C)C)CC2)CC1 ZINC001161390838 1382395676 /nfs/dbraw/zinc/39/56/76/1382395676.db2.gz LFEBEOIRQSYFAD-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP Cc1ccccc1C[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001161518718 1382428865 /nfs/dbraw/zinc/42/88/65/1382428865.db2.gz OQOBADUKKWQQSC-UHFFFAOYSA-N 2 1 345.531 3.244 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001161519111 1382429504 /nfs/dbraw/zinc/42/95/04/1382429504.db2.gz YOCJABBSMAGQNT-QGZVFWFLSA-N 2 1 339.568 3.418 20 0 EGADMP c1cn(CCCNc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)cn1 ZINC001161684661 1382480141 /nfs/dbraw/zinc/48/01/41/1382480141.db2.gz IHKFYWQZEZOXHB-KRWDZBQOSA-N 2 1 338.459 3.050 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)NCCC1=CC[N@@H+](CCC)CC1 ZINC001161683222 1382480280 /nfs/dbraw/zinc/48/02/80/1382480280.db2.gz RVSXHSOUSMRMRF-UHFFFAOYSA-N 2 1 337.552 3.437 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161699222 1382483704 /nfs/dbraw/zinc/48/37/04/1382483704.db2.gz OKDJWKFCURRHJQ-KKHYBRAUSA-N 2 1 347.547 3.213 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001161699222 1382483708 /nfs/dbraw/zinc/48/37/08/1382483708.db2.gz OKDJWKFCURRHJQ-KKHYBRAUSA-N 2 1 347.547 3.213 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161699222 1382483710 /nfs/dbraw/zinc/48/37/10/1382483710.db2.gz OKDJWKFCURRHJQ-KKHYBRAUSA-N 2 1 347.547 3.213 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704534 1382485131 /nfs/dbraw/zinc/48/51/31/1382485131.db2.gz CDMXIQOHMRPICB-UXHICEINSA-N 2 1 347.547 3.211 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCCC2=CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001161704505 1382485168 /nfs/dbraw/zinc/48/51/68/1382485168.db2.gz BKOFUSFVPKEFTN-IBGZPJMESA-N 2 1 349.563 3.293 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NCCC2=CC[N@H+](CCCC(C)(C)C)CC2)C1 ZINC001161704505 1382485175 /nfs/dbraw/zinc/48/51/75/1382485175.db2.gz BKOFUSFVPKEFTN-IBGZPJMESA-N 2 1 349.563 3.293 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NCCC2=CC[N@@H+](CCCC(C)(C)C)CC2)C1 ZINC001161704505 1382485178 /nfs/dbraw/zinc/48/51/78/1382485178.db2.gz BKOFUSFVPKEFTN-IBGZPJMESA-N 2 1 349.563 3.293 20 0 EGADMP C[NH+](C)CCCCC(=O)NCCC1=CC[N@@H+](CCC2CCCC2)CC1 ZINC001161733444 1382491736 /nfs/dbraw/zinc/49/17/36/1382491736.db2.gz CIKKZDOKLSKCHU-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001161750135 1382495266 /nfs/dbraw/zinc/49/52/66/1382495266.db2.gz XEKMINVSHLQEMW-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCC[NH+](C)CCC(=O)NCCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001161750135 1382495268 /nfs/dbraw/zinc/49/52/68/1382495268.db2.gz XEKMINVSHLQEMW-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CC2CCCCC2)CC1 ZINC001161750135 1382495272 /nfs/dbraw/zinc/49/52/72/1382495272.db2.gz XEKMINVSHLQEMW-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161893280 1382542185 /nfs/dbraw/zinc/54/21/85/1382542185.db2.gz AVABOIPYGGJGOF-IBGZPJMESA-N 2 1 349.563 3.437 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161932550 1382558867 /nfs/dbraw/zinc/55/88/67/1382558867.db2.gz UOFLFFDRGRBNPP-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP Cc1[nH+]ccn1-c1cncc(N(CC[NH3+])c2cccc3ccccc32)n1 ZINC001162004990 1382596675 /nfs/dbraw/zinc/59/66/75/1382596675.db2.gz PEWSKFLODUVXNY-UHFFFAOYSA-N 2 1 344.422 3.221 20 0 EGADMP [NH3+][C@H]1CCC[C@H](Nc2[nH+]cnc3c2ccn3Cc2ccccc2F)C1 ZINC001162391461 1382745875 /nfs/dbraw/zinc/74/58/75/1382745875.db2.gz MPNXXNWIFOSEQK-GJZGRUSLSA-N 2 1 339.418 3.301 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001162610949 1382808459 /nfs/dbraw/zinc/80/84/59/1382808459.db2.gz AOKMEPFJNKTUSS-UHFFFAOYSA-N 2 1 348.535 3.140 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N(CC[NH2+]CC(C)C)CCc1ccccc1 ZINC001162848989 1382894312 /nfs/dbraw/zinc/89/43/12/1382894312.db2.gz LRPDHNVDQVQNKU-UHFFFAOYSA-N 2 1 347.547 3.034 20 0 EGADMP CC(C)[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001162935452 1382920718 /nfs/dbraw/zinc/92/07/18/1382920718.db2.gz XCUBWEBIQCPFKB-UHFFFAOYSA-N 2 1 347.547 3.034 20 0 EGADMP CC(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)C(C)C ZINC001163006624 1382945613 /nfs/dbraw/zinc/94/56/13/1382945613.db2.gz GVUXUESAEJELGC-UHFFFAOYSA-N 2 1 347.547 3.034 20 0 EGADMP CCCCc1nc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)cc(C)[nH+]1 ZINC001163056498 1382956896 /nfs/dbraw/zinc/95/68/96/1382956896.db2.gz FVIJBEFWIFEAMM-MRXNPFEDSA-N 2 1 327.476 3.151 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CC2(CCNC(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC001163820511 1383125338 /nfs/dbraw/zinc/12/53/38/1383125338.db2.gz FWJFSNOLLGWKNA-IEBWSBKVSA-N 2 1 343.515 3.026 20 0 EGADMP CC(C)(C)C(=O)CNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001164005136 1383145690 /nfs/dbraw/zinc/14/56/90/1383145690.db2.gz KKQUITHKODVTNX-OAHLLOKOSA-N 2 1 328.460 3.378 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001164455588 1383188553 /nfs/dbraw/zinc/18/85/53/1383188553.db2.gz DKUMSFXVAQAJOR-SJLPKXTDSA-N 2 1 349.494 3.105 20 0 EGADMP Cc1[nH+]ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1F ZINC001164499546 1383193861 /nfs/dbraw/zinc/19/38/61/1383193861.db2.gz RRXIBBZDNFNWGS-KZNAEPCWSA-N 2 1 325.431 3.274 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC1(C[NH2+]CCC2CC2)CC1 ZINC001164578465 1383201261 /nfs/dbraw/zinc/20/12/61/1383201261.db2.gz BJEGGUJLVAKRBU-INIZCTEOSA-N 2 1 346.519 3.073 20 0 EGADMP C[C@@H]1CN(c2cc(-n3ccnc3)cc[nH+]2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001165203625 1383248861 /nfs/dbraw/zinc/24/88/61/1383248861.db2.gz ZOEZATPOKRWDTM-MSOLQXFVSA-N 2 1 347.466 3.367 20 0 EGADMP C[N@@H+]1CCC[C@H](CCNc2nc(N3CCCC(C)(C)C3)cc[nH+]2)C1 ZINC001165273523 1383263830 /nfs/dbraw/zinc/26/38/30/1383263830.db2.gz SCNNAANYAFIJAD-MRXNPFEDSA-N 2 1 331.508 3.247 20 0 EGADMP C[N@H+]1CCC[C@H](CCNc2nc(N3CCCC(C)(C)C3)cc[nH+]2)C1 ZINC001165273523 1383263833 /nfs/dbraw/zinc/26/38/33/1383263833.db2.gz SCNNAANYAFIJAD-MRXNPFEDSA-N 2 1 331.508 3.247 20 0 EGADMP C[N@@H+](CC(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1)C1CCC1 ZINC001165492322 1383302925 /nfs/dbraw/zinc/30/29/25/1383302925.db2.gz QHOKVGCUEPBBRY-UHFFFAOYSA-N 2 1 349.563 3.317 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001166677407 1383458549 /nfs/dbraw/zinc/45/85/49/1383458549.db2.gz IZZYAXUUCQGTHL-ROUUACIJSA-N 2 1 345.531 3.309 20 0 EGADMP C[C@H]([NH2+]CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC001166686693 1383460591 /nfs/dbraw/zinc/46/05/91/1383460591.db2.gz DITJKBBJCQNAJA-JXFKEZNVSA-N 2 1 349.494 3.056 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001166744360 1383469800 /nfs/dbraw/zinc/46/98/00/1383469800.db2.gz SGONZOAFXRGPPS-KRWDZBQOSA-N 2 1 333.520 3.130 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001166751389 1383471500 /nfs/dbraw/zinc/47/15/00/1383471500.db2.gz QCXSIFMIBPUSLF-KRWDZBQOSA-N 2 1 333.520 3.130 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCCC2(C[NH2+]CC3CC(C)(C)C3)CC2)CC[N@H+]1C ZINC001166843103 1383486277 /nfs/dbraw/zinc/48/62/77/1383486277.db2.gz QRINJFGJRFHMSC-WMZOPIPTSA-N 2 1 349.563 3.029 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385870 1383618862 /nfs/dbraw/zinc/61/88/62/1383618862.db2.gz WNCMJMQOBCSRSU-SFFCAUCYSA-N 2 1 349.563 3.482 20 0 EGADMP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167425057 1383629777 /nfs/dbraw/zinc/62/97/77/1383629777.db2.gz AAWXFPSRQDZEAI-MOPGFXCFSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167425756 1383630227 /nfs/dbraw/zinc/63/02/27/1383630227.db2.gz JODDEGIBZNWVFC-MSOLQXFVSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167425060 1383630396 /nfs/dbraw/zinc/63/03/96/1383630396.db2.gz AAWXFPSRQDZEAI-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCC2CC2)CC1 ZINC001167694256 1383712370 /nfs/dbraw/zinc/71/23/70/1383712370.db2.gz HVXOCISBLSIVNH-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001167812828 1383746209 /nfs/dbraw/zinc/74/62/09/1383746209.db2.gz WVWNPYMBNIIGBC-UHFFFAOYSA-N 2 1 335.536 3.095 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2OCCC[C@]2(COC)C1 ZINC001167821054 1383748714 /nfs/dbraw/zinc/74/87/14/1383748714.db2.gz AEZYGCYXCQQQID-IPMKNSEASA-N 2 1 326.525 3.014 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC001167827444 1383750824 /nfs/dbraw/zinc/75/08/24/1383750824.db2.gz WCWDDDLBUARIGH-SJORKVTESA-N 2 1 341.540 3.486 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(CCCN2C(=O)C(C)C)C1 ZINC001167827062 1383750923 /nfs/dbraw/zinc/75/09/23/1383750923.db2.gz RZNHCTMTTPCBBZ-ICSRJNTNSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)N1CC[NH+](CCc2cccs2)CC1 ZINC001167827153 1383751101 /nfs/dbraw/zinc/75/11/01/1383751101.db2.gz UBCAVUOSYSRHML-GOSISDBHSA-N 2 1 337.577 3.419 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2cccc(C(=O)OC)c2C1 ZINC001167842783 1383756371 /nfs/dbraw/zinc/75/63/71/1383756371.db2.gz YRDGCTLCQJSNLR-INIZCTEOSA-N 2 1 332.488 3.342 20 0 EGADMP c1cnn(-c2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)c2)c1 ZINC001167964611 1383780090 /nfs/dbraw/zinc/78/00/90/1383780090.db2.gz UWZWXXYBHMIXQV-IHWFROFDSA-N 2 1 336.483 3.367 20 0 EGADMP C[N@@H+](CCNC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)Cc1ccccc1 ZINC001167964762 1383780641 /nfs/dbraw/zinc/78/06/41/1383780641.db2.gz XOUXENHSLPIXIU-SEJPIABJSA-N 2 1 327.516 3.113 20 0 EGADMP CN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)Cc1ccccc1 ZINC001167964762 1383780650 /nfs/dbraw/zinc/78/06/50/1383780650.db2.gz XOUXENHSLPIXIU-SEJPIABJSA-N 2 1 327.516 3.113 20 0 EGADMP CN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)Cc1ccccc1 ZINC001167964762 1383780653 /nfs/dbraw/zinc/78/06/53/1383780653.db2.gz XOUXENHSLPIXIU-SEJPIABJSA-N 2 1 327.516 3.113 20 0 EGADMP c1cnn(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)cc2)c1 ZINC001167964026 1383780723 /nfs/dbraw/zinc/78/07/23/1383780723.db2.gz LACVHRAZQRUFIY-VCSGRIEYSA-N 2 1 336.483 3.367 20 0 EGADMP Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c2c(c1)COCO2 ZINC001167967115 1383781704 /nfs/dbraw/zinc/78/17/04/1383781704.db2.gz CDKYYACUUKQUQK-YQQQUEKLSA-N 2 1 346.446 3.187 20 0 EGADMP Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2c(c1)COCO2 ZINC001167967115 1383781707 /nfs/dbraw/zinc/78/17/07/1383781707.db2.gz CDKYYACUUKQUQK-YQQQUEKLSA-N 2 1 346.446 3.187 20 0 EGADMP CC(C)(O)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167974846 1383784603 /nfs/dbraw/zinc/78/46/03/1383784603.db2.gz BUSDUYVMWBGRJD-NXEWRWPSSA-N 2 1 328.500 3.494 20 0 EGADMP c1ccc(C[C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)nc1 ZINC001167996118 1383792156 /nfs/dbraw/zinc/79/21/56/1383792156.db2.gz WVHVKMSYUZBQAM-MQEZQYLSSA-N 2 1 325.500 3.494 20 0 EGADMP c1ccc(C[C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)nc1 ZINC001167996118 1383792157 /nfs/dbraw/zinc/79/21/57/1383792157.db2.gz WVHVKMSYUZBQAM-MQEZQYLSSA-N 2 1 325.500 3.494 20 0 EGADMP c1ccc(C[C@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)nc1 ZINC001167996118 1383792159 /nfs/dbraw/zinc/79/21/59/1383792159.db2.gz WVHVKMSYUZBQAM-MQEZQYLSSA-N 2 1 325.500 3.494 20 0 EGADMP Cc1nccn1CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009177 1383795822 /nfs/dbraw/zinc/79/58/22/1383795822.db2.gz HHOKUGKCPFNHEU-XEMDLRDOSA-N 2 1 326.488 3.223 20 0 EGADMP C[C@@H]1CC([NH2+]C2COC(C)(C)OC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168018816 1383798598 /nfs/dbraw/zinc/79/85/98/1383798598.db2.gz FEDXCHLTCDETSN-HZPDHXFCSA-N 2 1 332.488 3.169 20 0 EGADMP C[C@@H]1CN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)[N@H+]1C ZINC001168059272 1383807051 /nfs/dbraw/zinc/80/70/51/1383807051.db2.gz DCSZNCPGSKGDSJ-CADBVGFASA-N 2 1 329.532 3.452 20 0 EGADMP COC(=O)CC[N@H+](C1CC1)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168058596 1383807175 /nfs/dbraw/zinc/80/71/75/1383807175.db2.gz QJAPFEMOZBNWHJ-IAGOWNOFSA-N 2 1 344.499 3.456 20 0 EGADMP COC(=O)CC[N@@H+](C1CC1)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168058596 1383807182 /nfs/dbraw/zinc/80/71/82/1383807182.db2.gz QJAPFEMOZBNWHJ-IAGOWNOFSA-N 2 1 344.499 3.456 20 0 EGADMP C[C@H]1CC([NH+]2CC3(C2)CC[NH+](C)CC3)C[C@H](C)N1Cc1ccccc1 ZINC001168059486 1383807632 /nfs/dbraw/zinc/80/76/32/1383807632.db2.gz UEFPMTJTSFJYCA-OALUTQOASA-N 2 1 341.543 3.456 20 0 EGADMP C[C@H]1CC(N2CC3(C2)CC[NH+](C)CC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059486 1383807638 /nfs/dbraw/zinc/80/76/38/1383807638.db2.gz UEFPMTJTSFJYCA-OALUTQOASA-N 2 1 341.543 3.456 20 0 EGADMP COC(=O)c1cccc(-c2ccc(NC3(C)CC[NH2+]CC3)[nH+]c2C)c1 ZINC001168184089 1383837297 /nfs/dbraw/zinc/83/72/97/1383837297.db2.gz RKBFMMYARZZGCB-UHFFFAOYSA-N 2 1 339.439 3.398 20 0 EGADMP CC1CCC([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC001168203220 1383842789 /nfs/dbraw/zinc/84/27/89/1383842789.db2.gz IYCJFFNOIHOPRT-URYRSFGFSA-N 2 1 333.564 3.494 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC001168324221 1383873496 /nfs/dbraw/zinc/87/34/96/1383873496.db2.gz KQGWCGUWHBAPBM-UHFFFAOYSA-N 2 1 333.495 3.206 20 0 EGADMP CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)C1CCC([NH+](C)C)CC1 ZINC001168327908 1383874293 /nfs/dbraw/zinc/87/42/93/1383874293.db2.gz STTQIJAMUAMAGG-UHFFFAOYSA-N 2 1 327.513 3.094 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)[C@H](c2ccccc2)C1 ZINC001168328248 1383874617 /nfs/dbraw/zinc/87/46/17/1383874617.db2.gz BOZZWFGLSKOCAP-FVELJTHGSA-N 2 1 344.499 3.486 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001168335665 1383876271 /nfs/dbraw/zinc/87/62/71/1383876271.db2.gz OVLDOOFJVYEIHG-SFHVURJKSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001168344538 1383879501 /nfs/dbraw/zinc/87/95/01/1383879501.db2.gz DPZLFBZUEMBWPQ-UHFFFAOYSA-N 2 1 335.536 3.093 20 0 EGADMP COC(=O)CC(C)(C)[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001168351805 1383880420 /nfs/dbraw/zinc/88/04/20/1383880420.db2.gz XUVMPOLGIRHIQR-UHFFFAOYSA-N 2 1 332.488 3.446 20 0 EGADMP Fc1cccc(C2([NH2+]C3CC[NH+](CC4CC4)CC3)CCOCC2)c1 ZINC001168364514 1383884753 /nfs/dbraw/zinc/88/47/53/1383884753.db2.gz FEPMTKOQHAWTMO-UHFFFAOYSA-N 2 1 332.463 3.295 20 0 EGADMP CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001168373383 1383888477 /nfs/dbraw/zinc/88/84/77/1383888477.db2.gz QBSQNXPEGWFCSS-OAQYLSRUSA-N 2 1 327.516 3.067 20 0 EGADMP Cc1cccnc1O[C@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168394540 1383894907 /nfs/dbraw/zinc/89/49/07/1383894907.db2.gz BHPGJZSHSMIAFB-IBGZPJMESA-N 2 1 329.488 3.108 20 0 EGADMP Cc1cccnc1O[C@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168394540 1383894912 /nfs/dbraw/zinc/89/49/12/1383894912.db2.gz BHPGJZSHSMIAFB-IBGZPJMESA-N 2 1 329.488 3.108 20 0 EGADMP C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001168454851 1383910841 /nfs/dbraw/zinc/91/08/41/1383910841.db2.gz BGHWEDXYKMEQJI-KRWDZBQOSA-N 2 1 342.458 3.379 20 0 EGADMP c1[nH+]c2cc(NC3(c4cccnn4)CC3)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001168514609 1383928521 /nfs/dbraw/zinc/92/85/21/1383928521.db2.gz QXAMWCBUISEEMI-MRXNPFEDSA-N 2 1 348.454 3.242 20 0 EGADMP CC[C@H](C)[C@H]1CCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001307485099 1383997386 /nfs/dbraw/zinc/99/73/86/1383997386.db2.gz CPRSNLHBDMJPQL-DFQSSKMNSA-N 2 1 345.531 3.306 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCc1cncc(C(F)(F)F)c1)C2 ZINC001169077920 1384103689 /nfs/dbraw/zinc/10/36/89/1384103689.db2.gz BQQFLHODWBPNAI-PHZGNYQRSA-N 2 1 327.394 3.248 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]31)C2 ZINC001169090268 1384105017 /nfs/dbraw/zinc/10/50/17/1384105017.db2.gz JFMDVECBTJYIQY-KINXCBNHSA-N 2 1 339.527 3.112 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC001169090268 1384105018 /nfs/dbraw/zinc/10/50/18/1384105018.db2.gz JFMDVECBTJYIQY-KINXCBNHSA-N 2 1 339.527 3.112 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC001169090268 1384105020 /nfs/dbraw/zinc/10/50/20/1384105020.db2.gz JFMDVECBTJYIQY-KINXCBNHSA-N 2 1 339.527 3.112 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]31)C2 ZINC001169090268 1384105022 /nfs/dbraw/zinc/10/50/22/1384105022.db2.gz JFMDVECBTJYIQY-KINXCBNHSA-N 3 1 339.527 3.112 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]31)C2 ZINC001169090268 1384105023 /nfs/dbraw/zinc/10/50/23/1384105023.db2.gz JFMDVECBTJYIQY-KINXCBNHSA-N 3 1 339.527 3.112 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC001169090268 1384105025 /nfs/dbraw/zinc/10/50/25/1384105025.db2.gz JFMDVECBTJYIQY-KINXCBNHSA-N 3 1 339.527 3.112 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC001169090268 1384105026 /nfs/dbraw/zinc/10/50/26/1384105026.db2.gz JFMDVECBTJYIQY-KINXCBNHSA-N 3 1 339.527 3.112 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc(OCC(F)(F)F)cc1)C2 ZINC001169107435 1384107817 /nfs/dbraw/zinc/10/78/17/1384107817.db2.gz GQQNRGNQXZKEPV-PHZGNYQRSA-N 2 1 342.405 3.385 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(Cc3ccc(F)cc3)CCOCC1)C2 ZINC001169109384 1384108166 /nfs/dbraw/zinc/10/81/66/1384108166.db2.gz BOHKHKDELHKRPP-REPLKXPHSA-N 2 1 332.463 3.132 20 0 EGADMP C[C@H]1CCC[N@H+](CCN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308198751 1384108205 /nfs/dbraw/zinc/10/82/05/1384108205.db2.gz BJXAEJSYXBEMQX-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H]1CCC[N@@H+](CCN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308198751 1384108208 /nfs/dbraw/zinc/10/82/08/1384108208.db2.gz BJXAEJSYXBEMQX-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H]1CCC[NH+](CCN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308198751 1384108210 /nfs/dbraw/zinc/10/82/10/1384108210.db2.gz BJXAEJSYXBEMQX-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H]1CCC[NH+](CCN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308198751 1384108212 /nfs/dbraw/zinc/10/82/12/1384108212.db2.gz BJXAEJSYXBEMQX-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP COC(=O)[C@@](C)([NH3+])Cc1cn(-c2cc[nH+]c(C3CC3)c2)c2ccccc12 ZINC001169117227 1384108979 /nfs/dbraw/zinc/10/89/79/1384108979.db2.gz SIZZTJZYMQNSBY-NRFANRHFSA-N 2 1 349.434 3.336 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH3+])(Cc3ccc(Cl)cc3)CC1)C2 ZINC001169117879 1384109191 /nfs/dbraw/zinc/10/91/91/1384109191.db2.gz BEOIHXSLNNJNFJ-BWTSREIZSA-N 2 1 347.934 3.301 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169126557 1384110837 /nfs/dbraw/zinc/11/08/37/1384110837.db2.gz WIWOLRADRQNVRL-CLWJZODNSA-N 2 1 349.519 3.087 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169126557 1384110839 /nfs/dbraw/zinc/11/08/39/1384110839.db2.gz WIWOLRADRQNVRL-CLWJZODNSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169126557 1384110841 /nfs/dbraw/zinc/11/08/41/1384110841.db2.gz WIWOLRADRQNVRL-CLWJZODNSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169126557 1384110843 /nfs/dbraw/zinc/11/08/43/1384110843.db2.gz WIWOLRADRQNVRL-CLWJZODNSA-N 2 1 349.519 3.087 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(n3c4ccccc4[nH]c3=O)CC1)C2 ZINC001169131815 1384111159 /nfs/dbraw/zinc/11/11/59/1384111159.db2.gz ZUKMAIWNOUUHIR-FVQHAEBGSA-N 2 1 340.471 3.004 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(n3c4ccccc4[nH]c3=O)CC1)C2 ZINC001169131815 1384111161 /nfs/dbraw/zinc/11/11/61/1384111161.db2.gz ZUKMAIWNOUUHIR-FVQHAEBGSA-N 2 1 340.471 3.004 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@]13CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169130360 1384111272 /nfs/dbraw/zinc/11/12/72/1384111272.db2.gz MWHAHOBDCSHJCO-CLWJZODNSA-N 2 1 349.519 3.087 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@]13CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169130360 1384111274 /nfs/dbraw/zinc/11/12/74/1384111274.db2.gz MWHAHOBDCSHJCO-CLWJZODNSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@]13CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169130360 1384111276 /nfs/dbraw/zinc/11/12/76/1384111276.db2.gz MWHAHOBDCSHJCO-CLWJZODNSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@]13CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169130360 1384111278 /nfs/dbraw/zinc/11/12/78/1384111278.db2.gz MWHAHOBDCSHJCO-CLWJZODNSA-N 2 1 349.519 3.087 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001308293334 1384117216 /nfs/dbraw/zinc/11/72/16/1384117216.db2.gz SNTCVXZRIRWEIN-CVEARBPZSA-N 2 1 336.549 3.404 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N(Cc1ccc(F)cc1)C1CC[NH+](C)CC1)C2 ZINC001169162497 1384117483 /nfs/dbraw/zinc/11/74/83/1384117483.db2.gz UCZWBGUJELTHEV-AERCQKQUSA-N 2 1 345.506 3.347 20 0 EGADMP COc1cc2[nH+]ccc(-n3ncc4c3cccc4C[NH3+])c2cc1OC ZINC001169191879 1384121196 /nfs/dbraw/zinc/12/11/96/1384121196.db2.gz IJBGPYPWZXDCCQ-UHFFFAOYSA-N 2 1 334.379 3.050 20 0 EGADMP C[C@H]([NH2+]Cc1ccc2c(c1)ncn2C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001308368292 1384122625 /nfs/dbraw/zinc/12/26/25/1384122625.db2.gz RDRRGXLDFIGSFT-RDJZCZTQSA-N 2 1 326.488 3.316 20 0 EGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC001169246049 1384126804 /nfs/dbraw/zinc/12/68/04/1384126804.db2.gz NMJXAINZXHCXNV-HOTGVXAUSA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC001169246049 1384126807 /nfs/dbraw/zinc/12/68/07/1384126807.db2.gz NMJXAINZXHCXNV-HOTGVXAUSA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+]1CCC(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)CC1 ZINC001169256178 1384127893 /nfs/dbraw/zinc/12/78/93/1384127893.db2.gz YDFVZXPTKONHQT-OAQYLSRUSA-N 2 1 345.506 3.350 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc2[nH]ccc2c1 ZINC001308739775 1384146221 /nfs/dbraw/zinc/14/62/21/1384146221.db2.gz FDDLZEIKARZEOG-IBGZPJMESA-N 2 1 328.504 3.016 20 0 EGADMP CCC(CC)[N@@H+]([C@@H](C)CC(=O)N(CC)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169452706 1384149552 /nfs/dbraw/zinc/14/95/52/1384149552.db2.gz QFCUXEVVECUYPE-BQFCYCMXSA-N 2 1 325.541 3.394 20 0 EGADMP [NH3+]CCC[N@@H+](C1CCCCC1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169719916 1384178000 /nfs/dbraw/zinc/17/80/00/1384178000.db2.gz DRZRSFHDEQAEOV-FQEVSTJZSA-N 2 1 343.515 3.275 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001169798929 1384187479 /nfs/dbraw/zinc/18/74/79/1384187479.db2.gz SYCKYMGYACBRRH-UYAOXDASSA-N 2 1 345.531 3.162 20 0 EGADMP CCC(CC)[N@H+](C1CCC(S(C)(=O)=O)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169868669 1384193301 /nfs/dbraw/zinc/19/33/01/1384193301.db2.gz UXABKAMACOHZOD-SVOYEFRLSA-N 2 1 344.565 3.103 20 0 EGADMP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(OC)cc3)CC2)CCO1 ZINC001170182626 1384257312 /nfs/dbraw/zinc/25/73/12/1384257312.db2.gz NTSLBUSPNWWKSS-WOJBJXKFSA-N 2 1 346.515 3.249 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001170235126 1384273110 /nfs/dbraw/zinc/27/31/10/1384273110.db2.gz YSMVQTGBWQKJQU-KRWDZBQOSA-N 2 1 341.499 3.339 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCCCF ZINC001170749636 1384377542 /nfs/dbraw/zinc/37/75/42/1384377542.db2.gz AEWWXPSXYMEWFB-ZWKOTPCHSA-N 2 1 343.531 3.264 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C)cc1 ZINC001170783888 1384384352 /nfs/dbraw/zinc/38/43/52/1384384352.db2.gz AQYCMCKVULMOPE-FQEVSTJZSA-N 2 1 345.531 3.246 20 0 EGADMP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170794270 1384386835 /nfs/dbraw/zinc/38/68/35/1384386835.db2.gz CGKIDBPJDVRDIG-MSOLQXFVSA-N 2 1 337.552 3.314 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170851946 1384398427 /nfs/dbraw/zinc/39/84/27/1384398427.db2.gz VTEZZWFJHMIOJW-SUMWQHHRSA-N 2 1 337.305 3.238 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)(C)C)CC[N@H+]1C ZINC001170872708 1384402626 /nfs/dbraw/zinc/40/26/26/1384402626.db2.gz YWJSLOKVKHWQDR-OKZBNKHCSA-N 2 1 339.568 3.418 20 0 EGADMP Clc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC3CCOCC3)C1)C2 ZINC001171024132 1384432094 /nfs/dbraw/zinc/43/20/94/1384432094.db2.gz AOVRKDLWGFGYSF-QZTJIDSGSA-N 2 1 348.918 3.288 20 0 EGADMP Clc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC3CCOCC3)C1)C2 ZINC001171024132 1384432095 /nfs/dbraw/zinc/43/20/95/1384432095.db2.gz AOVRKDLWGFGYSF-QZTJIDSGSA-N 2 1 348.918 3.288 20 0 EGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@H]1CCc3c(Cl)cccc3C1)CC2 ZINC001171043870 1384435739 /nfs/dbraw/zinc/43/57/39/1384435739.db2.gz HPWKIXCYSAOKPC-HNNXBMFYSA-N 2 1 347.890 3.327 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCF)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171248060 1384478428 /nfs/dbraw/zinc/47/84/28/1384478428.db2.gz QIOKEDFLSDTTHF-WMZOPIPTSA-N 2 1 341.515 3.018 20 0 EGADMP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171254563 1384480014 /nfs/dbraw/zinc/48/00/14/1384480014.db2.gz UNYGDMKBYMPHPC-HPFMTEOYSA-N 2 1 337.552 3.482 20 0 EGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001171287194 1384485960 /nfs/dbraw/zinc/48/59/60/1384485960.db2.gz CVLMKHGWTJNZCX-APIJFGDWSA-N 2 1 334.891 3.421 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171330812 1384496152 /nfs/dbraw/zinc/49/61/52/1384496152.db2.gz VIOFDZFBLFRSQU-HKUYNNGSSA-N 2 1 337.552 3.316 20 0 EGADMP C[N@H+]1CCCC[C@H]1c1ccc(N2c3ccccc3OC[C@@H]2C[NH3+])nc1 ZINC001171399241 1384512978 /nfs/dbraw/zinc/51/29/78/1384512978.db2.gz GTRVMHCWTQPIIL-IRXDYDNUSA-N 2 1 338.455 3.096 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001171537424 1384555437 /nfs/dbraw/zinc/55/54/37/1384555437.db2.gz CEUCDYQAJYIZNZ-UYAOXDASSA-N 2 1 345.531 3.244 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171538188 1384556249 /nfs/dbraw/zinc/55/62/49/1384556249.db2.gz KRAZJIOCDYHGGM-DLBZAZTESA-N 2 1 325.541 3.172 20 0 EGADMP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171539143 1384556490 /nfs/dbraw/zinc/55/64/90/1384556490.db2.gz QWKBMLLKRJLXNV-MJGOQNOKSA-N 2 1 335.536 3.236 20 0 EGADMP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001171618652 1384581489 /nfs/dbraw/zinc/58/14/89/1384581489.db2.gz LUCHJNYKGSEYJQ-MRXNPFEDSA-N 2 1 325.541 3.312 20 0 EGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2cccc(OC3COC3)c2)CC1(C)C ZINC001171621762 1384583111 /nfs/dbraw/zinc/58/31/11/1384583111.db2.gz POZDIWFSYJNDJR-UHFFFAOYSA-N 2 1 332.488 3.205 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H]([C@H](N)C(F)(F)F)C2)CC1(C)C ZINC001171631103 1384586331 /nfs/dbraw/zinc/58/63/31/1384586331.db2.gz WEVCJMHQKFEPTO-OCCSQVGLSA-N 2 1 335.458 3.239 20 0 EGADMP C[C@@H]1C[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC[C@@]1(O)C(F)(F)F ZINC001171632072 1384586565 /nfs/dbraw/zinc/58/65/65/1384586565.db2.gz UUHMRTFFANWCBI-WBMJQRKESA-N 2 1 336.442 3.273 20 0 EGADMP C[C@@H]1C[C@@H](NC(=[NH2+])c2ccc(Cl)nc2)C[N@@H+]1Cc1ccccc1 ZINC001171724782 1384613825 /nfs/dbraw/zinc/61/38/25/1384613825.db2.gz ARVFHMQFOWOFMQ-CZUORRHYSA-N 2 1 328.847 3.313 20 0 EGADMP C[C@@H]1C[C@@H](NC(=[NH2+])c2ccc(Cl)nc2)C[N@H+]1Cc1ccccc1 ZINC001171724782 1384613828 /nfs/dbraw/zinc/61/38/28/1384613828.db2.gz ARVFHMQFOWOFMQ-CZUORRHYSA-N 2 1 328.847 3.313 20 0 EGADMP C[C@H]1C[C@@H](n2c3ccccc3nc2CC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171724928 1384613909 /nfs/dbraw/zinc/61/39/09/1384613909.db2.gz FHRLQGFVTOWNKW-FUHWJXTLSA-N 2 1 334.467 3.373 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001171731287 1384617105 /nfs/dbraw/zinc/61/71/05/1384617105.db2.gz ARYHPQOYKUUEHF-OAHLLOKOSA-N 2 1 339.911 3.229 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)[C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171785974 1384636369 /nfs/dbraw/zinc/63/63/69/1384636369.db2.gz VJOIZKMHKICIHN-FHWLQOOXSA-N 2 1 339.458 3.460 20 0 EGADMP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@H]([NH3+])C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171814015 1384648272 /nfs/dbraw/zinc/64/82/72/1384648272.db2.gz IDTYYPXHDAXSIY-MWDXBVQZSA-N 2 1 339.524 3.366 20 0 EGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H]([NH3+])C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171814015 1384648275 /nfs/dbraw/zinc/64/82/75/1384648275.db2.gz IDTYYPXHDAXSIY-MWDXBVQZSA-N 2 1 339.524 3.366 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171816373 1384649104 /nfs/dbraw/zinc/64/91/04/1384649104.db2.gz HHPLREPIFKNAMT-LXXRFIIISA-N 2 1 334.508 3.203 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCCC[NH2+]C[C@@H](C)CC(C)C ZINC001171821918 1384650813 /nfs/dbraw/zinc/65/08/13/1384650813.db2.gz PSBCYYTUQGPCED-IRXDYDNUSA-N 2 1 336.524 3.138 20 0 EGADMP CCC[NH+](CCC)CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171867075 1384666155 /nfs/dbraw/zinc/66/61/55/1384666155.db2.gz SRZMKGHZFNCOHM-FQEVSTJZSA-N 2 1 345.531 3.393 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+](C3CCC(C(=O)OC(C)(C)C)CC3)C[C@@H]2C1 ZINC001171933155 1384687347 /nfs/dbraw/zinc/68/73/47/1384687347.db2.gz QAFQJYLBXQTTRY-ZTOOSOLZSA-N 2 1 336.520 3.161 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@H+](C3CCC(C(=O)OC(C)(C)C)CC3)C[C@@H]2C1 ZINC001171933155 1384687349 /nfs/dbraw/zinc/68/73/49/1384687349.db2.gz QAFQJYLBXQTTRY-ZTOOSOLZSA-N 2 1 336.520 3.161 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@@H+](C3CCC(C(=O)OC(C)(C)C)CC3)C[C@@H]2C1 ZINC001171933155 1384687350 /nfs/dbraw/zinc/68/73/50/1384687350.db2.gz QAFQJYLBXQTTRY-ZTOOSOLZSA-N 2 1 336.520 3.161 20 0 EGADMP COC(=O)C1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171981117 1384701678 /nfs/dbraw/zinc/70/16/78/1384701678.db2.gz KNJCRVDEVCLURC-IBGZPJMESA-N 2 1 344.499 3.315 20 0 EGADMP Cc1c(CC[NH3+])c(=O)[nH]n1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984223 1384703431 /nfs/dbraw/zinc/70/34/31/1384703431.db2.gz TZDYKUXAXHHAHK-KRWDZBQOSA-N 2 1 342.487 3.014 20 0 EGADMP CC1(C)C[C@@H]([NH+]2CCCC3(C2)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC001171985819 1384704712 /nfs/dbraw/zinc/70/47/12/1384704712.db2.gz CNWZLAPTMUTFSY-IBGZPJMESA-N 2 1 344.499 3.269 20 0 EGADMP CC1(C)C[C@@H]([NH+]2CCCC3(C2)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC001171985819 1384704725 /nfs/dbraw/zinc/70/47/25/1384704725.db2.gz CNWZLAPTMUTFSY-IBGZPJMESA-N 2 1 344.499 3.269 20 0 EGADMP CC1(C)C[C@@H]([N@@H+]2CCCC3(C2)OCCO3)CC[NH+]1Cc1ccccc1 ZINC001171985819 1384704733 /nfs/dbraw/zinc/70/47/33/1384704733.db2.gz CNWZLAPTMUTFSY-IBGZPJMESA-N 2 1 344.499 3.269 20 0 EGADMP CC1(C)C[C@@H]([N@H+]2CCCC3(C2)OCCO3)CC[NH+]1Cc1ccccc1 ZINC001171985819 1384704736 /nfs/dbraw/zinc/70/47/36/1384704736.db2.gz CNWZLAPTMUTFSY-IBGZPJMESA-N 2 1 344.499 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC001316935652 1384707071 /nfs/dbraw/zinc/70/70/71/1384707071.db2.gz NKBTZIFRHYXGQR-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@H+]1CC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172064570 1384715112 /nfs/dbraw/zinc/71/51/12/1384715112.db2.gz COHTYDVQCZSXFF-NCYKPQTJSA-N 2 1 327.516 3.256 20 0 EGADMP CC[NH+]1CC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172064570 1384715114 /nfs/dbraw/zinc/71/51/14/1384715114.db2.gz COHTYDVQCZSXFF-NCYKPQTJSA-N 2 1 327.516 3.256 20 0 EGADMP CC[NH+]1CC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172064570 1384715119 /nfs/dbraw/zinc/71/51/19/1384715119.db2.gz COHTYDVQCZSXFF-NCYKPQTJSA-N 2 1 327.516 3.256 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)C1)C1CCC1 ZINC001316943688 1384715573 /nfs/dbraw/zinc/71/55/73/1384715573.db2.gz JXKPVSFQLNFPRD-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)C1)C1CCC1 ZINC001316943688 1384715578 /nfs/dbraw/zinc/71/55/78/1384715578.db2.gz JXKPVSFQLNFPRD-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1)C1CCC1 ZINC001316943688 1384715580 /nfs/dbraw/zinc/71/55/80/1384715580.db2.gz JXKPVSFQLNFPRD-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[C@@](C)([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(N)=O ZINC001172066286 1384716744 /nfs/dbraw/zinc/71/67/44/1384716744.db2.gz UUSJJUWYYGJIJG-WERVVEIQSA-N 2 1 343.515 3.062 20 0 EGADMP CC(C)C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(N)=O ZINC001172072387 1384718617 /nfs/dbraw/zinc/71/86/17/1384718617.db2.gz LYPCJCJGHFOELI-YSTOQKLRSA-N 2 1 343.515 3.062 20 0 EGADMP CC(C)C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(N)=O ZINC001172072387 1384718620 /nfs/dbraw/zinc/71/86/20/1384718620.db2.gz LYPCJCJGHFOELI-YSTOQKLRSA-N 2 1 343.515 3.062 20 0 EGADMP COC(=O)CC1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172076180 1384719182 /nfs/dbraw/zinc/71/91/82/1384719182.db2.gz WKLTXNZLVWWBIN-ACDBMABISA-N 2 1 342.483 3.067 20 0 EGADMP COC(=O)CC1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172076180 1384719195 /nfs/dbraw/zinc/71/91/95/1384719195.db2.gz WKLTXNZLVWWBIN-ACDBMABISA-N 2 1 342.483 3.067 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316948491 1384721509 /nfs/dbraw/zinc/72/15/09/1384721509.db2.gz GJMMKXHPFJYTNS-OALUTQOASA-N 2 1 343.515 3.060 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CS2 ZINC001172108461 1384728058 /nfs/dbraw/zinc/72/80/58/1384728058.db2.gz ALBBJRVYTCRDBP-NXOAAHMSSA-N 2 1 332.513 3.317 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CS2 ZINC001172108461 1384728061 /nfs/dbraw/zinc/72/80/61/1384728061.db2.gz ALBBJRVYTCRDBP-NXOAAHMSSA-N 2 1 332.513 3.317 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCOc1cccc3cccnc31)C2 ZINC001172105774 1384728299 /nfs/dbraw/zinc/72/82/99/1384728299.db2.gz KJXVTGUDEYGCFQ-BCDXTJNWSA-N 2 1 325.456 3.219 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CS2 ZINC001172108463 1384728459 /nfs/dbraw/zinc/72/84/59/1384728459.db2.gz ALBBJRVYTCRDBP-VQHPVUNQSA-N 2 1 332.513 3.317 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CS2 ZINC001172108463 1384728461 /nfs/dbraw/zinc/72/84/61/1384728461.db2.gz ALBBJRVYTCRDBP-VQHPVUNQSA-N 2 1 332.513 3.317 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001172112441 1384729575 /nfs/dbraw/zinc/72/95/75/1384729575.db2.gz WWSPDSCMKXGGLU-KOUNCHBCSA-N 2 1 341.543 3.298 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccc(F)cc3)CCOCC1)C2 ZINC001172110609 1384730273 /nfs/dbraw/zinc/73/02/73/1384730273.db2.gz KWLFNLFRBRJBSN-REPLKXPHSA-N 2 1 332.463 3.436 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccc(F)cc3)CCOCC1)C2 ZINC001172110609 1384730275 /nfs/dbraw/zinc/73/02/75/1384730275.db2.gz KWLFNLFRBRJBSN-REPLKXPHSA-N 2 1 332.463 3.436 20 0 EGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]([C@@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119047 1384732277 /nfs/dbraw/zinc/73/22/77/1384732277.db2.gz RSYAAWYYUSYUAA-MANSERQUSA-N 2 1 349.563 3.013 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccc(C(F)(F)F)cn1)C2 ZINC001172119384 1384733270 /nfs/dbraw/zinc/73/32/70/1384733270.db2.gz ZGFFXTWSZSLHBI-PHZGNYQRSA-N 2 1 327.394 3.248 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](Oc3cc(F)ccc3F)C1)C2 ZINC001172122740 1384734275 /nfs/dbraw/zinc/73/42/75/1384734275.db2.gz UAILMEHCEXHWRC-LTIDMASMSA-N 2 1 336.426 3.433 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](Oc3cc(F)ccc3F)C1)C2 ZINC001172122740 1384734277 /nfs/dbraw/zinc/73/42/77/1384734277.db2.gz UAILMEHCEXHWRC-LTIDMASMSA-N 2 1 336.426 3.433 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H](Oc3cc(F)ccc3F)C1)C2 ZINC001172122740 1384734280 /nfs/dbraw/zinc/73/42/80/1384734280.db2.gz UAILMEHCEXHWRC-LTIDMASMSA-N 2 1 336.426 3.433 20 0 EGADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+](C2C[C@H]4CC[C@@H](C2)O4)CC3)co1 ZINC001172226551 1384751889 /nfs/dbraw/zinc/75/18/89/1384751889.db2.gz AAISWFVZJAMNKD-YQQQUEKLSA-N 2 1 330.472 3.278 20 0 EGADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172245987 1384755130 /nfs/dbraw/zinc/75/51/30/1384755130.db2.gz SYAZDRJBZLHHPH-IHWFROFDSA-N 2 1 330.447 3.208 20 0 EGADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172245987 1384755134 /nfs/dbraw/zinc/75/51/34/1384755134.db2.gz SYAZDRJBZLHHPH-IHWFROFDSA-N 2 1 330.447 3.208 20 0 EGADMP COCCC[NH+]1CCC([N@H+](C)[C@@H](C)Cc2ccccc2OC)CC1 ZINC001172254438 1384757307 /nfs/dbraw/zinc/75/73/07/1384757307.db2.gz MCXYODQOKSLCGZ-KRWDZBQOSA-N 2 1 334.504 3.059 20 0 EGADMP COCCC[NH+]1CCC([N@@H+](C)[C@@H](C)Cc2ccccc2OC)CC1 ZINC001172254438 1384757310 /nfs/dbraw/zinc/75/73/10/1384757310.db2.gz MCXYODQOKSLCGZ-KRWDZBQOSA-N 2 1 334.504 3.059 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C[C@H]1C ZINC001172358215 1384777364 /nfs/dbraw/zinc/77/73/64/1384777364.db2.gz GLNBNBQQKCEPDA-DBXWQHBBSA-N 2 1 329.532 3.348 20 0 EGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)C[C@@H](C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172638127 1384824454 /nfs/dbraw/zinc/82/44/54/1384824454.db2.gz UOPNPPGOAASJPQ-GVDBMIGSSA-N 2 1 341.540 3.471 20 0 EGADMP CC(C)OC(=O)CC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172758664 1384844768 /nfs/dbraw/zinc/84/47/68/1384844768.db2.gz JCHTXIJOKUHBMU-RLLQIKCJSA-N 2 1 344.499 3.171 20 0 EGADMP CC(C)OC(=O)CC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172758664 1384844769 /nfs/dbraw/zinc/84/47/69/1384844769.db2.gz JCHTXIJOKUHBMU-RLLQIKCJSA-N 2 1 344.499 3.171 20 0 EGADMP CC(C)OC(=O)CC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172758664 1384844770 /nfs/dbraw/zinc/84/47/70/1384844770.db2.gz JCHTXIJOKUHBMU-RLLQIKCJSA-N 2 1 344.499 3.171 20 0 EGADMP Cc1cccc(N([C@@H](C)CCC(=O)OC(C)C)C2CC[NH2+]CC2)[nH+]1 ZINC001172760869 1384845727 /nfs/dbraw/zinc/84/57/27/1384845727.db2.gz BFGXETOJBXVSKG-INIZCTEOSA-N 2 1 333.476 3.069 20 0 EGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](C3CCC(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001172822520 1384858806 /nfs/dbraw/zinc/85/88/06/1384858806.db2.gz OXCXECIRASOWQO-OEXSPLCWSA-N 2 1 342.527 3.440 20 0 EGADMP CC[N@H+]1CCO[C@@H]2C[NH+](C3CCC(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001172822520 1384858810 /nfs/dbraw/zinc/85/88/10/1384858810.db2.gz OXCXECIRASOWQO-OEXSPLCWSA-N 2 1 342.527 3.440 20 0 EGADMP CC[NH+]1CCO[C@@H]2C[N@@H+](C3CCC(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001172822520 1384858813 /nfs/dbraw/zinc/85/88/13/1384858813.db2.gz OXCXECIRASOWQO-OEXSPLCWSA-N 2 1 342.527 3.440 20 0 EGADMP CC[NH+]1CCO[C@@H]2C[N@H+](C3CCC(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001172822520 1384858816 /nfs/dbraw/zinc/85/88/16/1384858816.db2.gz OXCXECIRASOWQO-OEXSPLCWSA-N 2 1 342.527 3.440 20 0 EGADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172847891 1384865553 /nfs/dbraw/zinc/86/55/53/1384865553.db2.gz OFFZPRCZDFDOHV-MGPQQGTHSA-N 2 1 340.870 3.381 20 0 EGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C)C1 ZINC001172957159 1384889352 /nfs/dbraw/zinc/88/93/52/1384889352.db2.gz FIZLBNUJQUBGBW-HOTGVXAUSA-N 2 1 341.540 3.484 20 0 EGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C)C1 ZINC001172957159 1384889354 /nfs/dbraw/zinc/88/93/54/1384889354.db2.gz FIZLBNUJQUBGBW-HOTGVXAUSA-N 2 1 341.540 3.484 20 0 EGADMP C[C@H]1CC[C@H]([N@H+](C)CCC[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001173068332 1384906634 /nfs/dbraw/zinc/90/66/34/1384906634.db2.gz GDUVNKGXSITZDH-IRXDYDNUSA-N 2 1 339.524 3.192 20 0 EGADMP C[C@H]1CC[C@H]([N@@H+](C)CCC[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001173068332 1384906637 /nfs/dbraw/zinc/90/66/37/1384906637.db2.gz GDUVNKGXSITZDH-IRXDYDNUSA-N 2 1 339.524 3.192 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1)[NH+](C)C ZINC001317145074 1384913348 /nfs/dbraw/zinc/91/33/48/1384913348.db2.gz WVDWIWAUKNUXBZ-ROUUACIJSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](CC)C1CCC([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001173105015 1384915395 /nfs/dbraw/zinc/91/53/95/1384915395.db2.gz YNHFKMZWPGYMDV-NGCWXFERSA-N 3 1 341.543 3.359 20 0 EGADMP CC[NH+](CC)C1CCC([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001173105015 1384915399 /nfs/dbraw/zinc/91/53/99/1384915399.db2.gz YNHFKMZWPGYMDV-NGCWXFERSA-N 3 1 341.543 3.359 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)CC1 ZINC001173108277 1384916435 /nfs/dbraw/zinc/91/64/35/1384916435.db2.gz ACGRMZBBMLOSCK-GPANFISMSA-N 2 1 336.442 3.419 20 0 EGADMP CCc1noc([C@@H]2CCC[N@H+](C3CCC([NH+](CC)CC)CC3)C2)n1 ZINC001173113351 1384917656 /nfs/dbraw/zinc/91/76/56/1384917656.db2.gz NNAZEDSXVVEBRG-KLAILNCOSA-N 2 1 334.508 3.464 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)[C@@H]2CCc3ncsc3C2)CC1 ZINC001173126804 1384919290 /nfs/dbraw/zinc/91/92/90/1384919290.db2.gz REWDYYDMJWMLEC-BRWVUGGUSA-N 2 1 342.512 3.168 20 0 EGADMP CC[C@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)C1 ZINC001173276556 1384948683 /nfs/dbraw/zinc/94/86/83/1384948683.db2.gz IWRUSIMZVUTQPZ-HKUYNNGSSA-N 2 1 330.520 3.429 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H]3CC[C@H](CC)C3)CC2)C1 ZINC001173282759 1384951183 /nfs/dbraw/zinc/95/11/83/1384951183.db2.gz QMKLIWGJJCTOSJ-SCTDSRPQSA-N 2 1 336.520 3.305 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H]3CC[C@H](CC)C3)CC2)C1 ZINC001173282759 1384951186 /nfs/dbraw/zinc/95/11/86/1384951186.db2.gz QMKLIWGJJCTOSJ-SCTDSRPQSA-N 2 1 336.520 3.305 20 0 EGADMP CC[N@H+]1CC[C@H](N([C@H](C)c2ccccc2)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001173368700 1384965192 /nfs/dbraw/zinc/96/51/92/1384965192.db2.gz QQXMZVWAKJKQQX-JRGCBEDISA-N 2 1 327.516 3.238 20 0 EGADMP COC(=O)CCCC[C@@H](C)N(c1[nH+]cccc1C)C1CC[NH2+]CC1 ZINC001173460351 1384975244 /nfs/dbraw/zinc/97/52/44/1384975244.db2.gz WCKNRCAZTGUEGO-MRXNPFEDSA-N 2 1 333.476 3.070 20 0 EGADMP CCOC(=O)[C@H]1CC12CCC([N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001173606511 1384986917 /nfs/dbraw/zinc/98/69/17/1384986917.db2.gz LJIHCCKAYNGRHC-JLNOLZKDSA-N 2 1 336.520 3.479 20 0 EGADMP FC(F)(F)CN1CCC([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001173669145 1385000678 /nfs/dbraw/zinc/00/06/78/1385000678.db2.gz KTJYVYWOKIIYIZ-MRXNPFEDSA-N 2 1 347.469 3.354 20 0 EGADMP Cc1c[nH+]c(CC[NH3+])n1C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173673657 1385000784 /nfs/dbraw/zinc/00/07/84/1385000784.db2.gz QGQPXVYSZXDAEC-CHWSQXEVSA-N 2 1 336.480 3.042 20 0 EGADMP COC(=O)c1ccc(C[C@@H](C)[N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173715332 1385007731 /nfs/dbraw/zinc/00/77/31/1385007731.db2.gz VCZKJAUGFBYYHU-ATZDWAIDSA-N 2 1 332.488 3.385 20 0 EGADMP c1cc(NC2=CCC[N@H+](Cc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC001174394346 1385104875 /nfs/dbraw/zinc/10/48/75/1385104875.db2.gz GTYMSFFVSHWOMN-UHFFFAOYSA-N 2 1 331.423 3.469 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCC[N@H+](C)CC1CCCCC1)c1ccccc1 ZINC001317466796 1385159655 /nfs/dbraw/zinc/15/96/55/1385159655.db2.gz HKFPJHDJRRJGSB-FQEVSTJZSA-N 2 1 345.531 3.308 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCC[N@@H+](C)CC1CCCCC1)c1ccccc1 ZINC001317466796 1385159657 /nfs/dbraw/zinc/15/96/57/1385159657.db2.gz HKFPJHDJRRJGSB-FQEVSTJZSA-N 2 1 345.531 3.308 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001317469149 1385163447 /nfs/dbraw/zinc/16/34/47/1385163447.db2.gz AUXXUSVZELNFEM-KRWDZBQOSA-N 2 1 349.494 3.201 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175255831 1385231242 /nfs/dbraw/zinc/23/12/42/1385231242.db2.gz HKXAUGDWTAQQEN-DLBZAZTESA-N 2 1 337.552 3.172 20 0 EGADMP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175263727 1385234410 /nfs/dbraw/zinc/23/44/10/1385234410.db2.gz QUSQMLLKNVCKNY-IAGOWNOFSA-N 2 1 325.541 3.029 20 0 EGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001175272756 1385236924 /nfs/dbraw/zinc/23/69/24/1385236924.db2.gz LYOZYEVPBZYXSW-SJLPKXTDSA-N 2 1 348.535 3.209 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001175528371 1385321467 /nfs/dbraw/zinc/32/14/67/1385321467.db2.gz FIRBHYGLWFTJDN-INIZCTEOSA-N 2 1 334.508 3.071 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001317556081 1385325118 /nfs/dbraw/zinc/32/51/18/1385325118.db2.gz AWSHXNIPUSOQMK-HXUWFJFHSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001317682719 1385392128 /nfs/dbraw/zinc/39/21/28/1385392128.db2.gz QTMGEBHONCQKOE-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCCN(C(=O)CCCn1cc[nH+]c1C)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001317767019 1385456069 /nfs/dbraw/zinc/45/60/69/1385456069.db2.gz KSDJWWVVFQOXFI-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CCCN(C(=O)CCCn1cc[nH+]c1C)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001317767019 1385456071 /nfs/dbraw/zinc/45/60/71/1385456071.db2.gz KSDJWWVVFQOXFI-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1c(C)cccc1C ZINC001176023856 1385463932 /nfs/dbraw/zinc/46/39/32/1385463932.db2.gz KFRVMCPQVKXYJW-IBGZPJMESA-N 2 1 347.547 3.410 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]C/C=C\c1ccccc1 ZINC001176024498 1385464022 /nfs/dbraw/zinc/46/40/22/1385464022.db2.gz PBTAUCBBSGZBKU-CPPNXCSESA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001176057710 1385474020 /nfs/dbraw/zinc/47/40/20/1385474020.db2.gz RRTLWNULGOCEGD-AEFFLSMTSA-N 2 1 345.531 3.093 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]C(C)C ZINC001176111409 1385486959 /nfs/dbraw/zinc/48/69/59/1385486959.db2.gz HQSTXLOKLJCQTR-MSOLQXFVSA-N 2 1 325.541 3.314 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176166521 1385501115 /nfs/dbraw/zinc/50/11/15/1385501115.db2.gz RVWRMVLDPFZABT-QZTJIDSGSA-N 2 1 349.563 3.173 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1CC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001317809588 1385506777 /nfs/dbraw/zinc/50/67/77/1385506777.db2.gz QBWQFHPNGZTPHK-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC001317809588 1385506782 /nfs/dbraw/zinc/50/67/82/1385506782.db2.gz QBWQFHPNGZTPHK-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001317809588 1385506784 /nfs/dbraw/zinc/50/67/84/1385506784.db2.gz QBWQFHPNGZTPHK-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001176267854 1385532495 /nfs/dbraw/zinc/53/24/95/1385532495.db2.gz GIQKNJRUJQQHSF-ZEVQVBBLSA-N 2 1 325.541 3.339 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCc1ccccc1 ZINC001176269762 1385533211 /nfs/dbraw/zinc/53/32/11/1385533211.db2.gz XVKSXZAYYGXFGK-LJQANCHMSA-N 2 1 347.547 3.226 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001176286039 1385539923 /nfs/dbraw/zinc/53/99/23/1385539923.db2.gz SMFSYWIPPSZVSI-YLJYHZDGSA-N 2 1 345.531 3.280 20 0 EGADMP Cn1c2ccccc2[nH+]c1Nc1ccc(OCCC[NH+](C)C)nc1 ZINC001176352402 1385560944 /nfs/dbraw/zinc/56/09/44/1385560944.db2.gz PZBLRAFRVMAPCN-UHFFFAOYSA-N 2 1 325.416 3.042 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cc1C ZINC001176564848 1385626607 /nfs/dbraw/zinc/62/66/07/1385626607.db2.gz RXVPNTYBYPXQDK-QUCCMNQESA-N 2 1 345.531 3.020 20 0 EGADMP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176754392 1385685113 /nfs/dbraw/zinc/68/51/13/1385685113.db2.gz UHUPXAHULWBDKG-GIFJBRJJSA-N 2 1 325.541 3.338 20 0 EGADMP Cc1c(C)c(C)c(C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C)c(C)c1C ZINC001176972369 1385759805 /nfs/dbraw/zinc/75/98/05/1385759805.db2.gz YHSZGXFCYJSZJG-UHFFFAOYSA-N 2 1 347.547 3.165 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001176987036 1385764306 /nfs/dbraw/zinc/76/43/06/1385764306.db2.gz ZZOCUEJIAGEYPE-QGZVFWFLSA-N 2 1 341.499 3.337 20 0 EGADMP Cc1c[nH+]c2ccccc2c1NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001318867648 1385866031 /nfs/dbraw/zinc/86/60/31/1385866031.db2.gz ZNYXWGFRMGZBMZ-IYBDPMFKSA-N 2 1 327.472 3.265 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(CCC[NH2+]CCC2CC2)CC2CCCC2)CC[N@H+]1C ZINC001177328687 1385916150 /nfs/dbraw/zinc/91/61/50/1385916150.db2.gz RJGIPFNSSKQWHB-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001177339267 1385919105 /nfs/dbraw/zinc/91/91/05/1385919105.db2.gz ASFFORWHQGGGCX-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N(CCC[NH2+]CC1CCC1)CC1CCCC1 ZINC001177348873 1385924056 /nfs/dbraw/zinc/92/40/56/1385924056.db2.gz PESWQZSLOGQWOL-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001177349109 1385924452 /nfs/dbraw/zinc/92/44/52/1385924452.db2.gz YIAYQQNQVAILPQ-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC2CC[NH+](CC3CCC3)CC2)C1 ZINC001319032102 1385937761 /nfs/dbraw/zinc/93/77/61/1385937761.db2.gz UXYGFZPNFAGVOE-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001177395011 1385942098 /nfs/dbraw/zinc/94/20/98/1385942098.db2.gz YGTUFUBWYLTCMU-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(CCC[NH2+]CC[C@H](C)F)CC1CCCC1 ZINC001177456008 1385962742 /nfs/dbraw/zinc/96/27/42/1385962742.db2.gz LZRPDWMLDBPKIW-KRWDZBQOSA-N 2 1 343.531 3.075 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CCC[NH2+]C/C=C/Cl)CC1CCCC1 ZINC001177469126 1385968610 /nfs/dbraw/zinc/96/86/10/1385968610.db2.gz WIVGLFYJYPVSRR-UXBLZVDNSA-N 2 1 343.943 3.079 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001177492513 1385977978 /nfs/dbraw/zinc/97/79/78/1385977978.db2.gz LKNWFIQZADOAQC-UHFFFAOYSA-N 2 1 345.531 3.137 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001177492513 1385977988 /nfs/dbraw/zinc/97/79/88/1385977988.db2.gz LKNWFIQZADOAQC-UHFFFAOYSA-N 2 1 345.531 3.137 20 0 EGADMP CC(C)c1ccccc1C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001319209188 1386006578 /nfs/dbraw/zinc/00/65/78/1386006578.db2.gz NJHHIOXIPNRNEY-YLJYHZDGSA-N 2 1 345.531 3.136 20 0 EGADMP CC[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCC1)c1ccccc1 ZINC001319368836 1386084801 /nfs/dbraw/zinc/08/48/01/1386084801.db2.gz JQUUCVUCCURJII-RTBURBONSA-N 2 1 343.515 3.251 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)c(C)c1 ZINC001319395835 1386102168 /nfs/dbraw/zinc/10/21/68/1386102168.db2.gz ZJCWUOOFZCQLIP-UHOSZYNNSA-N 2 1 331.504 3.483 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@H]2[NH+](C)C)c(C)c1 ZINC001319395839 1386102382 /nfs/dbraw/zinc/10/23/82/1386102382.db2.gz ZJCWUOOFZCQLIP-YTQUADARSA-N 2 1 331.504 3.483 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001319575684 1386187499 /nfs/dbraw/zinc/18/74/99/1386187499.db2.gz ZOOHCLSKYHXNJO-KGLIPLIRSA-N 2 1 348.878 3.043 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178523417 1386241230 /nfs/dbraw/zinc/24/12/30/1386241230.db2.gz YREZGJREQCUHMZ-GUDVDZBRSA-N 2 1 339.568 3.275 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001319827636 1386321002 /nfs/dbraw/zinc/32/10/02/1386321002.db2.gz RGRWGXRBENPXBQ-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178833068 1386322270 /nfs/dbraw/zinc/32/22/70/1386322270.db2.gz OUVHYWYIHQHQMA-OALUTQOASA-N 2 1 339.568 3.419 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001178891753 1386340360 /nfs/dbraw/zinc/34/03/60/1386340360.db2.gz YZZABURQXMNNFH-YESZJQIVSA-N 2 1 346.519 3.166 20 0 EGADMP CC[C@H](F)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001178920673 1386349470 /nfs/dbraw/zinc/34/94/70/1386349470.db2.gz DMMVUIZIMICRHE-ZWKOTPCHSA-N 2 1 343.531 3.121 20 0 EGADMP CN(CC[N@@H+](C)CCCC(C)(C)C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001320000895 1386445455 /nfs/dbraw/zinc/44/54/55/1386445455.db2.gz ZDGSGECAKQENDC-UHFFFAOYSA-N 2 1 339.568 3.467 20 0 EGADMP Cc1c(C(=O)NCCC[N@H+](C)C2CCCCC2)ccc2c[nH+]cn21 ZINC001320102644 1386513528 /nfs/dbraw/zinc/51/35/28/1386513528.db2.gz YIRHKKRCZVKAIA-UHFFFAOYSA-N 2 1 328.460 3.027 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001179585459 1386524221 /nfs/dbraw/zinc/52/42/21/1386524221.db2.gz IFTAMWUGUFTUIY-ZWKOTPCHSA-N 2 1 339.568 3.277 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001179591517 1386526966 /nfs/dbraw/zinc/52/69/66/1386526966.db2.gz VYRKFLIRVAACII-PKOBYXMFSA-N 2 1 349.563 3.031 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179633227 1386536574 /nfs/dbraw/zinc/53/65/74/1386536574.db2.gz LNSIVLFYZKRBFG-IRXDYDNUSA-N 2 1 334.508 3.022 20 0 EGADMP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179652988 1386540729 /nfs/dbraw/zinc/54/07/29/1386540729.db2.gz VWLRSOYDGMXJDA-LUNNPTDRSA-N 2 1 346.519 3.332 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)CCCn1cc[nH+]c1C ZINC001179824251 1386597231 /nfs/dbraw/zinc/59/72/31/1386597231.db2.gz YXSITPUAIWBCKP-UHFFFAOYSA-N 2 1 334.508 3.204 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001320510261 1386632987 /nfs/dbraw/zinc/63/29/87/1386632987.db2.gz UKRWKGWKZZHPTD-HXUWFJFHSA-N 2 1 345.531 3.220 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)[C@@H]1C ZINC001179987173 1386658751 /nfs/dbraw/zinc/65/87/51/1386658751.db2.gz NIUSKZCQYAEPLZ-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccccc1C[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001180060597 1386683795 /nfs/dbraw/zinc/68/37/95/1386683795.db2.gz IWRHUBADDNMECH-IBGZPJMESA-N 2 1 345.531 3.103 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccc(C)cc1 ZINC001180118141 1386702689 /nfs/dbraw/zinc/70/26/89/1386702689.db2.gz XWSMGUTWWAPTAK-UHFFFAOYSA-N 2 1 347.547 3.493 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001180120938 1386703210 /nfs/dbraw/zinc/70/32/10/1386703210.db2.gz CMWBOUJFMUHXIS-UHFFFAOYSA-N 2 1 347.547 3.411 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001180123237 1386704169 /nfs/dbraw/zinc/70/41/69/1386704169.db2.gz CALXLAKAYCYPMV-QRVBRYPASA-N 2 1 337.552 3.031 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1ccccc1F)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001320928695 1386760935 /nfs/dbraw/zinc/76/09/35/1386760935.db2.gz MOYIQDIXYBOQIG-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP C[N@@H+](CCC(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1)Cc1ccccc1 ZINC001181141801 1386945052 /nfs/dbraw/zinc/94/50/52/1386945052.db2.gz CISHHUUWAXOYQY-UHFFFAOYSA-N 2 1 345.531 3.276 20 0 EGADMP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001181793668 1387056122 /nfs/dbraw/zinc/05/61/22/1387056122.db2.gz YYRWGTZYDSQLJK-WBKVYKICSA-N 2 1 349.563 3.291 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)(C)C)C1 ZINC001181941494 1387080265 /nfs/dbraw/zinc/08/02/65/1387080265.db2.gz JTMCLDMCWXQZLW-OXQOHEQNSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001181959048 1387082623 /nfs/dbraw/zinc/08/26/23/1387082623.db2.gz LVMXUFQDRVWESE-OXQOHEQNSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)c1ccccc1C[N@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001322175320 1387088751 /nfs/dbraw/zinc/08/87/51/1387088751.db2.gz JQXJHYPXGKYCEI-KRWDZBQOSA-N 2 1 345.531 3.231 20 0 EGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001182152953 1387113296 /nfs/dbraw/zinc/11/32/96/1387113296.db2.gz UMVZXGQLFAEDBH-YESZJQIVSA-N 2 1 341.540 3.484 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001182152953 1387113300 /nfs/dbraw/zinc/11/33/00/1387113300.db2.gz UMVZXGQLFAEDBH-YESZJQIVSA-N 2 1 341.540 3.484 20 0 EGADMP CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001182346726 1387153910 /nfs/dbraw/zinc/15/39/10/1387153910.db2.gz UVKLRDVUGOABHJ-YFVAEKQCSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001329570166 1389160093 /nfs/dbraw/zinc/16/00/93/1389160093.db2.gz CJEGAPPLKSPINQ-ROUUACIJSA-N 2 1 345.531 3.224 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CCCC1)[NH+](C)C ZINC001329938984 1389268073 /nfs/dbraw/zinc/26/80/73/1389268073.db2.gz SHYWDSLUIUYVJB-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCCC[NH+]1Cc1ccccc1C ZINC001329952497 1389272037 /nfs/dbraw/zinc/27/20/37/1389272037.db2.gz KOHGDFRQICJWOP-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccccc1C ZINC001329952497 1389272043 /nfs/dbraw/zinc/27/20/43/1389272043.db2.gz KOHGDFRQICJWOP-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCCC[N@H+]1Cc1ccccc1C ZINC001329952497 1389272045 /nfs/dbraw/zinc/27/20/45/1389272045.db2.gz KOHGDFRQICJWOP-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CN3C[C@H](C4CCCCC4)CC3=O)C[C@@H]2C1 ZINC001337805528 1389448342 /nfs/dbraw/zinc/44/83/42/1389448342.db2.gz MSBAJRIZWDEHDS-IYWMVGAKSA-N 2 1 347.547 3.035 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC001330935562 1389570495 /nfs/dbraw/zinc/57/04/95/1389570495.db2.gz QBLJZKGAEQURGL-UWJYYQICSA-N 2 1 349.478 3.126 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC001338419411 1389680661 /nfs/dbraw/zinc/68/06/61/1389680661.db2.gz RRBOHTMGJCEDMR-IERDGZPVSA-N 2 1 335.451 3.435 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC001331291403 1389688414 /nfs/dbraw/zinc/68/84/14/1389688414.db2.gz WRYNXOZBKYEDNW-UZLBHIALSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC001338464017 1389688946 /nfs/dbraw/zinc/68/89/46/1389688946.db2.gz YNBOMKQAHAOQTR-PELRDEGISA-N 2 1 330.516 3.395 20 0 EGADMP CC(C)n1ncc2c1[C@@H]([NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])CCC2 ZINC001331819085 1389878204 /nfs/dbraw/zinc/87/82/04/1389878204.db2.gz BHKNAFZHLLKSAJ-SNRMKQJTSA-N 2 1 326.488 3.390 20 0 EGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])CCC2 ZINC001331819083 1389878829 /nfs/dbraw/zinc/87/88/29/1389878829.db2.gz BHKNAFZHLLKSAJ-KFKAGJAMSA-N 2 1 326.488 3.390 20 0 EGADMP CCc1cccc(C[N@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)c1 ZINC001332201203 1390037965 /nfs/dbraw/zinc/03/79/65/1390037965.db2.gz VXEVNLRHMIWYDI-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)ccc2C)[C@H]1C ZINC001332219373 1390050511 /nfs/dbraw/zinc/05/05/11/1390050511.db2.gz NUWTYXLKMWBMJK-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)ccc2C)[C@H]1C ZINC001332219373 1390050518 /nfs/dbraw/zinc/05/05/18/1390050518.db2.gz NUWTYXLKMWBMJK-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2C)[C@H]1C ZINC001332219373 1390050521 /nfs/dbraw/zinc/05/05/21/1390050521.db2.gz NUWTYXLKMWBMJK-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1ccc(C[NH2+]C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C)c(C)c1 ZINC001332838070 1390197447 /nfs/dbraw/zinc/19/74/47/1390197447.db2.gz OKCKDMDMTBOIMU-MOPGFXCFSA-N 2 1 345.531 3.018 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)c2ccc3c(c2)C[NH2+]CC3)cc1Cl ZINC001333279411 1390275339 /nfs/dbraw/zinc/27/53/39/1390275339.db2.gz SJUAVLIEAZLHKY-UHFFFAOYSA-N 2 1 343.858 3.300 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(O[C@@H]4CCOC4)cc3)C[C@@H]2C1 ZINC001333891394 1390431572 /nfs/dbraw/zinc/43/15/72/1390431572.db2.gz LRVURQFIGSUEFY-RCLSDMTESA-N 2 1 344.499 3.016 20 0 EGADMP C[C@@H](CC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)C1CC[NH2+]CC1 ZINC001341497938 1390494695 /nfs/dbraw/zinc/49/46/95/1390494695.db2.gz SQOMKXRSXWGHQY-HNNXBMFYSA-N 2 1 330.476 3.036 20 0 EGADMP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cn3c(cccc3C)n2)n1 ZINC001335058815 1390636750 /nfs/dbraw/zinc/63/67/50/1390636750.db2.gz COVWALYZUHHRLY-SFHVURJKSA-N 2 1 335.455 3.423 20 0 EGADMP Cc1cccc(NC[C@@H]2CCCN2Cc2cn3c(cccc3C)n2)n1 ZINC001335058815 1390636751 /nfs/dbraw/zinc/63/67/51/1390636751.db2.gz COVWALYZUHHRLY-SFHVURJKSA-N 2 1 335.455 3.423 20 0 EGADMP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1C[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]2C1 ZINC001335582544 1390705934 /nfs/dbraw/zinc/70/59/34/1390705934.db2.gz MAUAGWJFRZQCQX-IJEWVQPXSA-N 2 1 346.906 3.389 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](CC)c1ccccc1 ZINC001488686372 1391701947 /nfs/dbraw/zinc/70/19/47/1391701947.db2.gz QBYPRDHEHHEBOL-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](CC)c1ccccc1 ZINC001488686372 1391701950 /nfs/dbraw/zinc/70/19/50/1391701950.db2.gz QBYPRDHEHHEBOL-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](CC)c1ccccc1 ZINC001488686372 1391701952 /nfs/dbraw/zinc/70/19/52/1391701952.db2.gz QBYPRDHEHHEBOL-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@@H](C)c1ccccc1C ZINC001488685515 1391702095 /nfs/dbraw/zinc/70/20/95/1391702095.db2.gz KTLAYRLNJNQNEE-RBUKOAKNSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)c1ccccc1C ZINC001488685515 1391702101 /nfs/dbraw/zinc/70/21/01/1391702101.db2.gz KTLAYRLNJNQNEE-RBUKOAKNSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)c1ccccc1C ZINC001488685515 1391702105 /nfs/dbraw/zinc/70/21/05/1391702105.db2.gz KTLAYRLNJNQNEE-RBUKOAKNSA-N 2 1 345.531 3.321 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(F)c1OC ZINC001352113400 1391760885 /nfs/dbraw/zinc/76/08/85/1391760885.db2.gz RVKRNYFYODCGIB-CWRNSKLLSA-N 2 1 336.451 3.005 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC001479908681 1392476320 /nfs/dbraw/zinc/47/63/20/1392476320.db2.gz QFTNKOKRIPVEJZ-VLUHHTHFSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001480084014 1392574036 /nfs/dbraw/zinc/57/40/36/1392574036.db2.gz FIMFVGSCFVOFNB-IBGZPJMESA-N 2 1 345.531 3.188 20 0 EGADMP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001480183244 1392614971 /nfs/dbraw/zinc/61/49/71/1392614971.db2.gz ZNOJQQORYPCYSP-NXEWRWPSSA-N 2 1 347.547 3.329 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001480263417 1392648037 /nfs/dbraw/zinc/64/80/37/1392648037.db2.gz OAANVIKKTXNIGV-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCC1)[NH+](C)C ZINC001480320567 1392680699 /nfs/dbraw/zinc/68/06/99/1392680699.db2.gz ZTVIXDLRJOIQRI-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001480615951 1392821593 /nfs/dbraw/zinc/82/15/93/1392821593.db2.gz QIWMXNHVVJEXCC-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001480709982 1392871848 /nfs/dbraw/zinc/87/18/48/1392871848.db2.gz UGOPXRFUDHPZJP-RTBURBONSA-N 2 1 349.494 3.015 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+](Cc2ccccc2C(C)C)C1 ZINC001481117638 1393124194 /nfs/dbraw/zinc/12/41/94/1393124194.db2.gz BGVRZNNRYHFQII-GOSISDBHSA-N 2 1 345.531 3.090 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C(C)C)C1 ZINC001481117638 1393124196 /nfs/dbraw/zinc/12/41/96/1393124196.db2.gz BGVRZNNRYHFQII-GOSISDBHSA-N 2 1 345.531 3.090 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2C(C)C)C1 ZINC001481117638 1393124200 /nfs/dbraw/zinc/12/42/00/1393124200.db2.gz BGVRZNNRYHFQII-GOSISDBHSA-N 2 1 345.531 3.090 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001481629709 1394425124 /nfs/dbraw/zinc/42/51/24/1394425124.db2.gz TVAHLGCWQKDDOW-FXAWDEMLSA-N 2 1 349.563 3.124 20 0 EGADMP CCc1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)[C@H](CC)[NH+](C)C)c1 ZINC001491230862 1394485984 /nfs/dbraw/zinc/48/59/84/1394485984.db2.gz QMNQBSOFLHBRKO-PMACEKPBSA-N 2 1 345.531 3.060 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001482035344 1394696002 /nfs/dbraw/zinc/69/60/02/1394696002.db2.gz XJKYVHYAYSFTNY-FXAWDEMLSA-N 2 1 345.531 3.026 20 0 EGADMP Cc1cc(C)cc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001482100344 1394747081 /nfs/dbraw/zinc/74/70/81/1394747081.db2.gz DDJSBIUMAARQOH-QUCCMNQESA-N 2 1 345.531 3.018 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)c1 ZINC001484977060 1395616969 /nfs/dbraw/zinc/61/69/69/1395616969.db2.gz PNRMMYWQSQUUAV-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001485040443 1395647012 /nfs/dbraw/zinc/64/70/12/1395647012.db2.gz CAXGDYCZFDVIBW-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP Cc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001485367668 1395845523 /nfs/dbraw/zinc/84/55/23/1395845523.db2.gz DHOWFWXXWWELGN-SFHVURJKSA-N 2 1 345.531 3.052 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H](C[NH2+]CCC1=CCCCC1)C1CC1 ZINC001485815068 1396157726 /nfs/dbraw/zinc/15/77/26/1396157726.db2.gz GBDMRWQSFDQCLQ-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1ccccc1C ZINC001505410633 1396294500 /nfs/dbraw/zinc/29/45/00/1396294500.db2.gz JIILQJAABIXBTA-OALUTQOASA-N 2 1 345.531 3.369 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@H]21 ZINC001699008410 1406833677 /nfs/dbraw/zinc/83/36/77/1406833677.db2.gz IVOZULYAMQBNQA-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)CC[C@H]21 ZINC001699008410 1406833702 /nfs/dbraw/zinc/83/37/02/1406833702.db2.gz IVOZULYAMQBNQA-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)CC[C@H]21 ZINC001699008410 1406833711 /nfs/dbraw/zinc/83/37/11/1406833711.db2.gz IVOZULYAMQBNQA-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)C1)c1ccccc1 ZINC001690112642 1404308005 /nfs/dbraw/zinc/30/80/05/1404308005.db2.gz DZALQQCITLYVBR-MOPGFXCFSA-N 2 1 345.531 3.306 20 0 EGADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1)c1ccccc1 ZINC001690112642 1404308010 /nfs/dbraw/zinc/30/80/10/1404308010.db2.gz DZALQQCITLYVBR-MOPGFXCFSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]([NH2+]CC1CCCCC1)C1CC1 ZINC001690171896 1404370815 /nfs/dbraw/zinc/37/08/15/1404370815.db2.gz SPCBIGMWYBCKAQ-SFHVURJKSA-N 2 1 346.519 3.071 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)c1cccc(Cl)c1 ZINC001690279273 1404443612 /nfs/dbraw/zinc/44/36/12/1404443612.db2.gz YZIYJHBTRNAJEJ-KBRIMQKVSA-N 2 1 349.906 3.122 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+]1CCC1CC1 ZINC001690492738 1404606360 /nfs/dbraw/zinc/60/63/60/1404606360.db2.gz UJHNTZUPJCQGLZ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCC1CC1 ZINC001690492738 1404606363 /nfs/dbraw/zinc/60/63/63/1404606363.db2.gz UJHNTZUPJCQGLZ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+]1CCC1CC1 ZINC001690492738 1404606367 /nfs/dbraw/zinc/60/63/67/1404606367.db2.gz UJHNTZUPJCQGLZ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001690498427 1404610985 /nfs/dbraw/zinc/61/09/85/1404610985.db2.gz HZHLTHYEUXPQEW-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001690627417 1404662426 /nfs/dbraw/zinc/66/24/26/1404662426.db2.gz XPGSHBLSWZSHHU-MRXNPFEDSA-N 2 1 334.508 3.071 20 0 EGADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001690989603 1404906184 /nfs/dbraw/zinc/90/61/84/1404906184.db2.gz CJPNIVKTAQAUBY-YOEHRIQHSA-N 2 1 339.911 3.035 20 0 EGADMP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1ccccc1F ZINC001691019791 1404934424 /nfs/dbraw/zinc/93/44/24/1404934424.db2.gz IFMIHBZFQUUARA-UHFFFAOYSA-N 2 1 349.494 3.028 20 0 EGADMP CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1ccccc1F ZINC001691019791 1404934426 /nfs/dbraw/zinc/93/44/26/1404934426.db2.gz IFMIHBZFQUUARA-UHFFFAOYSA-N 2 1 349.494 3.028 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)[C@H](C)c1ccccc1 ZINC001691043613 1404954720 /nfs/dbraw/zinc/95/47/20/1404954720.db2.gz SFKVPNQSXMVTCM-UYAOXDASSA-N 2 1 345.531 3.449 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[C@H](C)c1ccccc1 ZINC001691043613 1404954721 /nfs/dbraw/zinc/95/47/21/1404954721.db2.gz SFKVPNQSXMVTCM-UYAOXDASSA-N 2 1 345.531 3.449 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)[C@H](C)c1ccccc1 ZINC001691043613 1404954724 /nfs/dbraw/zinc/95/47/24/1404954724.db2.gz SFKVPNQSXMVTCM-UYAOXDASSA-N 2 1 345.531 3.449 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC3CCCCCC3)CC[C@@H]2C1 ZINC001692080621 1405763377 /nfs/dbraw/zinc/76/33/77/1405763377.db2.gz JUIYGZRFRLNXAH-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC3CCCCCC3)CC[C@@H]2C1 ZINC001692080621 1405763379 /nfs/dbraw/zinc/76/33/79/1405763379.db2.gz JUIYGZRFRLNXAH-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC3CCCCCC3)CC[C@@H]2C1 ZINC001692080621 1405763383 /nfs/dbraw/zinc/76/33/83/1405763383.db2.gz JUIYGZRFRLNXAH-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001731803296 1427970019 /nfs/dbraw/zinc/97/00/19/1427970019.db2.gz JVTONOWBKRKYOQ-VQTJNVASSA-N 2 1 345.531 3.449 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001731803296 1427970024 /nfs/dbraw/zinc/97/00/24/1427970024.db2.gz JVTONOWBKRKYOQ-VQTJNVASSA-N 2 1 345.531 3.449 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001731803296 1427970027 /nfs/dbraw/zinc/97/00/27/1427970027.db2.gz JVTONOWBKRKYOQ-VQTJNVASSA-N 2 1 345.531 3.449 20 0 EGADMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@H+](CCCC3CCCC3)CC[C@@H]2C1 ZINC001692277198 1405909658 /nfs/dbraw/zinc/90/96/58/1405909658.db2.gz DHGBPYAJDMTEIS-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001732224053 1428472878 /nfs/dbraw/zinc/47/28/78/1428472878.db2.gz QNZZLEZVVCWDGK-CXAGYDPISA-N 2 1 348.878 3.091 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC2(C[NH+](CCCC3CCC3)C2)CC1 ZINC001732405555 1428568871 /nfs/dbraw/zinc/56/88/71/1428568871.db2.gz PYOAQHSALVIWII-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+]2CCCC2)c(C)c1 ZINC001699473877 1412860853 /nfs/dbraw/zinc/86/08/53/1412860853.db2.gz DRSDJXQRYGLIEP-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@H+](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001699474546 1412864848 /nfs/dbraw/zinc/86/48/48/1412864848.db2.gz QGBFXXOAKGAQBI-DLBZAZTESA-N 2 1 349.494 3.199 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)NC[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001699648116 1413029705 /nfs/dbraw/zinc/02/97/05/1413029705.db2.gz WLBQSUPBMCHNSS-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](CC1CC1)C1CCCCCC1 ZINC001699683914 1413079561 /nfs/dbraw/zinc/07/95/61/1413079561.db2.gz UPYCVMUQJYGYSS-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](CC1CC1)C1CCCCCC1 ZINC001699683914 1413079569 /nfs/dbraw/zinc/07/95/69/1413079569.db2.gz UPYCVMUQJYGYSS-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](CC1CC1)C1CCCCCC1 ZINC001699683914 1413079570 /nfs/dbraw/zinc/07/95/70/1413079570.db2.gz UPYCVMUQJYGYSS-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCC(CC)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001699689677 1413093961 /nfs/dbraw/zinc/09/39/61/1413093961.db2.gz SYRIGPVKJRNIKS-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001699689677 1413093964 /nfs/dbraw/zinc/09/39/64/1413093964.db2.gz SYRIGPVKJRNIKS-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001699689677 1413093966 /nfs/dbraw/zinc/09/39/66/1413093966.db2.gz SYRIGPVKJRNIKS-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001699853019 1413283046 /nfs/dbraw/zinc/28/30/46/1413283046.db2.gz GQTPCYITBJBIDR-JXFKEZNVSA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001699974593 1413413931 /nfs/dbraw/zinc/41/39/31/1413413931.db2.gz VIWQMRNEYBVPCV-OUUBHVDSSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001699974593 1413413934 /nfs/dbraw/zinc/41/39/34/1413413934.db2.gz VIWQMRNEYBVPCV-OUUBHVDSSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001732550161 1428730604 /nfs/dbraw/zinc/73/06/04/1428730604.db2.gz HIRQWBVZCJAWFR-LJQANCHMSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001732550161 1428730610 /nfs/dbraw/zinc/73/06/10/1428730610.db2.gz HIRQWBVZCJAWFR-LJQANCHMSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001732550161 1428730614 /nfs/dbraw/zinc/73/06/14/1428730614.db2.gz HIRQWBVZCJAWFR-LJQANCHMSA-N 2 1 337.552 3.218 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001700190881 1413619236 /nfs/dbraw/zinc/61/92/36/1413619236.db2.gz LTCYFOCBUWYWHX-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001700190881 1413619237 /nfs/dbraw/zinc/61/92/37/1413619237.db2.gz LTCYFOCBUWYWHX-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001700190881 1413619241 /nfs/dbraw/zinc/61/92/41/1413619241.db2.gz LTCYFOCBUWYWHX-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+](CCC)C1 ZINC001700199113 1413641094 /nfs/dbraw/zinc/64/10/94/1413641094.db2.gz SYZHEWUKGUMODF-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+](CCC)C1 ZINC001700199113 1413641097 /nfs/dbraw/zinc/64/10/97/1413641097.db2.gz SYZHEWUKGUMODF-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+](CCC)C1 ZINC001700199113 1413641099 /nfs/dbraw/zinc/64/10/99/1413641099.db2.gz SYZHEWUKGUMODF-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP C[N@@H+](CCC1CCCC1)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001700359971 1413870930 /nfs/dbraw/zinc/87/09/30/1413870930.db2.gz YSNRHIMNVOIBHO-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1c(C(=O)NC[C@H](C)[N@@H+](C)CC2CCCCC2)ccc2c[nH+]cn21 ZINC001700465457 1414071015 /nfs/dbraw/zinc/07/10/15/1414071015.db2.gz DZUVTBHAHVYKBH-HNNXBMFYSA-N 2 1 342.487 3.273 20 0 EGADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+](C)CCCC(C)(C)C ZINC001700473619 1414096691 /nfs/dbraw/zinc/09/66/91/1414096691.db2.gz GRQKUWSOMVLZDN-MRXNPFEDSA-N 2 1 327.557 3.227 20 0 EGADMP C[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@H+](C)CCCC(C)(C)C ZINC001700473619 1414096697 /nfs/dbraw/zinc/09/66/97/1414096697.db2.gz GRQKUWSOMVLZDN-MRXNPFEDSA-N 2 1 327.557 3.227 20 0 EGADMP C[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@@H+](C)CCCC(C)(C)C ZINC001700473619 1414096700 /nfs/dbraw/zinc/09/67/00/1414096700.db2.gz GRQKUWSOMVLZDN-MRXNPFEDSA-N 2 1 327.557 3.227 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001700527727 1414191719 /nfs/dbraw/zinc/19/17/19/1414191719.db2.gz ZEGIBUFROXVNGV-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001700878076 1414533621 /nfs/dbraw/zinc/53/36/21/1414533621.db2.gz GKAHXWMDNRPZAG-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@H+]1CCC1CCCC1 ZINC001700889003 1414548405 /nfs/dbraw/zinc/54/84/05/1414548405.db2.gz SBXCLNOPEGEWHB-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001700903658 1414558796 /nfs/dbraw/zinc/55/87/96/1414558796.db2.gz IWXHWABYLJQVJX-MOPGFXCFSA-N 2 1 345.531 3.039 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001733055195 1429197776 /nfs/dbraw/zinc/19/77/76/1429197776.db2.gz UITGOCOQVSUCTB-QZTJIDSGSA-N 2 1 345.531 3.224 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001713269118 1417878082 /nfs/dbraw/zinc/87/80/82/1417878082.db2.gz VDVDAXLKIQJIOO-APWZRJJASA-N 2 1 349.494 3.198 20 0 EGADMP CC[N@@H+](CCNC(=O)C1CC[NH+](C(C)C)CC1)CCC1CCCC1 ZINC001713494575 1418198825 /nfs/dbraw/zinc/19/88/25/1418198825.db2.gz ASQIKPZVRPIFSO-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@H](CC)c1ccc(F)cc1 ZINC001713517135 1418254411 /nfs/dbraw/zinc/25/44/11/1418254411.db2.gz CZSGCYNOZRRJNH-RBUKOAKNSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1[C@H](CC)c1ccc(F)cc1 ZINC001713517135 1418254416 /nfs/dbraw/zinc/25/44/16/1418254416.db2.gz CZSGCYNOZRRJNH-RBUKOAKNSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1[C@H](CC)c1ccc(F)cc1 ZINC001713517135 1418254418 /nfs/dbraw/zinc/25/44/18/1418254418.db2.gz CZSGCYNOZRRJNH-RBUKOAKNSA-N 2 1 349.494 3.199 20 0 EGADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C)c1cccc2ccccc21 ZINC001713623129 1418398033 /nfs/dbraw/zinc/39/80/33/1418398033.db2.gz SIBUCZHXBCYRHV-OXQOHEQNSA-N 2 1 339.483 3.043 20 0 EGADMP CCCN(C(=O)CC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001713721929 1418496142 /nfs/dbraw/zinc/49/61/42/1418496142.db2.gz BDPDWNILOATFEB-SOAGJPPSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[C@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001713737843 1418534979 /nfs/dbraw/zinc/53/49/79/1418534979.db2.gz NSQXDSJYBWXCQA-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001713737843 1418534982 /nfs/dbraw/zinc/53/49/82/1418534982.db2.gz NSQXDSJYBWXCQA-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001713737843 1418534985 /nfs/dbraw/zinc/53/49/85/1418534985.db2.gz NSQXDSJYBWXCQA-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001713791229 1418609008 /nfs/dbraw/zinc/60/90/08/1418609008.db2.gz SGTNQNRGRINOBQ-RBUKOAKNSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC001713791229 1418609011 /nfs/dbraw/zinc/60/90/11/1418609011.db2.gz SGTNQNRGRINOBQ-RBUKOAKNSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001713791229 1418609014 /nfs/dbraw/zinc/60/90/14/1418609014.db2.gz SGTNQNRGRINOBQ-RBUKOAKNSA-N 2 1 345.531 3.369 20 0 EGADMP C[NH+](C)CCc1ccccc1C(=O)NC1C[NH+](CCCC(C)(C)C)C1 ZINC001713832829 1418632236 /nfs/dbraw/zinc/63/22/36/1418632236.db2.gz LWONRGJKCFCMHD-UHFFFAOYSA-N 2 1 345.531 3.031 20 0 EGADMP CN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001714012023 1418790584 /nfs/dbraw/zinc/79/05/84/1418790584.db2.gz BDMDBVYCZDLZDH-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001714036011 1418824372 /nfs/dbraw/zinc/82/43/72/1418824372.db2.gz PKXSWWGEACUGKR-ZWKOTPCHSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001714036011 1418824374 /nfs/dbraw/zinc/82/43/74/1418824374.db2.gz PKXSWWGEACUGKR-ZWKOTPCHSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001714036011 1418824379 /nfs/dbraw/zinc/82/43/79/1418824379.db2.gz PKXSWWGEACUGKR-ZWKOTPCHSA-N 2 1 343.515 3.060 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001714054581 1418853021 /nfs/dbraw/zinc/85/30/21/1418853021.db2.gz XUHMOUBMODQOAC-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCCC[N@H+]2CCC2CC2)CCCCC1 ZINC001714109137 1418910337 /nfs/dbraw/zinc/91/03/37/1418910337.db2.gz GKHZXUJIJYOUNM-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C[NH2+]CC1CCCCCC1 ZINC001714426909 1419161097 /nfs/dbraw/zinc/16/10/97/1419161097.db2.gz PDSAHMYXWBQFCN-QGZVFWFLSA-N 2 1 339.568 3.277 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CC/C=C\c1ccccc1 ZINC001714572671 1419305849 /nfs/dbraw/zinc/30/58/49/1419305849.db2.gz QOFRGOQKORKFMO-HEFNWKINSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)CC/C=C\c1ccccc1 ZINC001714572671 1419305852 /nfs/dbraw/zinc/30/58/52/1419305852.db2.gz QOFRGOQKORKFMO-HEFNWKINSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)[C@H](C)c1ccc(F)cc1 ZINC001714584918 1419326445 /nfs/dbraw/zinc/32/64/45/1419326445.db2.gz SAASWIBNQRCIIH-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC001714584918 1419326449 /nfs/dbraw/zinc/32/64/49/1419326449.db2.gz SAASWIBNQRCIIH-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC001714584918 1419326450 /nfs/dbraw/zinc/32/64/50/1419326450.db2.gz SAASWIBNQRCIIH-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC/C=C/c1ccccc1)[NH+](C)C ZINC001714622569 1419390380 /nfs/dbraw/zinc/39/03/80/1419390380.db2.gz RCZOBWXRZVMODE-SUFKLLJCSA-N 2 1 343.515 3.011 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001714913771 1419662745 /nfs/dbraw/zinc/66/27/45/1419662745.db2.gz WTLWHUSXMATUEA-SFHVURJKSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001715000831 1419731655 /nfs/dbraw/zinc/73/16/55/1419731655.db2.gz FTRPXMNXMXHCNL-GBESFXJTSA-N 2 1 349.494 3.054 20 0 EGADMP CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001715066832 1419803515 /nfs/dbraw/zinc/80/35/15/1419803515.db2.gz YFSVGRKISBWENW-KRWDZBQOSA-N 2 1 337.552 3.172 20 0 EGADMP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001715249795 1419975304 /nfs/dbraw/zinc/97/53/04/1419975304.db2.gz AXPYPLVIJZORDM-QUCCMNQESA-N 2 1 345.531 3.100 20 0 EGADMP C[C@@H](c1ccccc1F)[N@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001715533104 1420224955 /nfs/dbraw/zinc/22/49/55/1420224955.db2.gz DHXKVLYJSXGYEA-KRWDZBQOSA-N 2 1 349.494 3.009 20 0 EGADMP C[C@@H](c1ccccc1F)[N@@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001715533104 1420224958 /nfs/dbraw/zinc/22/49/58/1420224958.db2.gz DHXKVLYJSXGYEA-KRWDZBQOSA-N 2 1 349.494 3.009 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CC1CCCCC1 ZINC001715875097 1420378520 /nfs/dbraw/zinc/37/85/20/1420378520.db2.gz VLFFZFYTXRAIAP-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)CC1CCCCC1 ZINC001715875097 1420378522 /nfs/dbraw/zinc/37/85/22/1420378522.db2.gz VLFFZFYTXRAIAP-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CC1CCCCC1 ZINC001715875097 1420378525 /nfs/dbraw/zinc/37/85/25/1420378525.db2.gz VLFFZFYTXRAIAP-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H](C[N@@H+](C)[C@@H](C)c1ccccc1F)NC(=O)CCC[NH+]1CCCC1 ZINC001716508847 1420740549 /nfs/dbraw/zinc/74/05/49/1420740549.db2.gz RCNMVDKKXKDMKS-IRXDYDNUSA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001716664030 1420818401 /nfs/dbraw/zinc/81/84/01/1420818401.db2.gz JZQLOWJOHUAMED-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001716664030 1420818405 /nfs/dbraw/zinc/81/84/05/1420818405.db2.gz JZQLOWJOHUAMED-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)CCCN(C)C(=O)C[NH+]2CC[C@@H](C)C2)c1 ZINC001717212556 1421186873 /nfs/dbraw/zinc/18/68/73/1421186873.db2.gz YKLOXOZKUOLDTC-MOPGFXCFSA-N 2 1 345.531 3.178 20 0 EGADMP Cc1cccc([C@H](C)[NH+](C)CCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001717212556 1421186877 /nfs/dbraw/zinc/18/68/77/1421186877.db2.gz YKLOXOZKUOLDTC-MOPGFXCFSA-N 2 1 345.531 3.178 20 0 EGADMP Cc1cccc([C@H](C)[NH+](C)CCCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001717212556 1421186879 /nfs/dbraw/zinc/18/68/79/1421186879.db2.gz YKLOXOZKUOLDTC-MOPGFXCFSA-N 2 1 345.531 3.178 20 0 EGADMP CC[C@@H](C)C[N@H+]1Cc2ccc(CNC(=O)C[NH+](C)C3CCC3)cc2C1 ZINC001717270394 1421226956 /nfs/dbraw/zinc/22/69/56/1421226956.db2.gz WDHQXBSTEOOMPM-MRXNPFEDSA-N 2 1 343.515 3.149 20 0 EGADMP CC[C@@H](C)C[NH+]1Cc2ccc(CNC(=O)C[N@H+](C)C3CCC3)cc2C1 ZINC001717270394 1421226958 /nfs/dbraw/zinc/22/69/58/1421226958.db2.gz WDHQXBSTEOOMPM-MRXNPFEDSA-N 2 1 343.515 3.149 20 0 EGADMP CC[C@@H](C)C[NH+]1Cc2ccc(CNC(=O)C[N@@H+](C)C3CCC3)cc2C1 ZINC001717270394 1421226960 /nfs/dbraw/zinc/22/69/60/1421226960.db2.gz WDHQXBSTEOOMPM-MRXNPFEDSA-N 2 1 343.515 3.149 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CC3CCCCCC3)C2)C1 ZINC001733296007 1429477827 /nfs/dbraw/zinc/47/78/27/1429477827.db2.gz CHQJEENJDXRLRI-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@]2(CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001733296007 1429477830 /nfs/dbraw/zinc/47/78/30/1429477830.db2.gz CHQJEENJDXRLRI-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001733296007 1429477832 /nfs/dbraw/zinc/47/78/32/1429477832.db2.gz CHQJEENJDXRLRI-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001717561255 1421497148 /nfs/dbraw/zinc/49/71/48/1421497148.db2.gz HWCUWANLFBBVCB-INIZCTEOSA-N 2 1 348.535 3.235 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)C[C@H]1C ZINC001733335398 1429520444 /nfs/dbraw/zinc/52/04/44/1429520444.db2.gz IWKGHLQXKWPFAR-POQYLXETSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001733413455 1429615545 /nfs/dbraw/zinc/61/55/45/1429615545.db2.gz RWDWJXOGNKDOQH-OAQYLSRUSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001733413455 1429615550 /nfs/dbraw/zinc/61/55/50/1429615550.db2.gz RWDWJXOGNKDOQH-OAQYLSRUSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001733413455 1429615563 /nfs/dbraw/zinc/61/55/63/1429615563.db2.gz RWDWJXOGNKDOQH-OAQYLSRUSA-N 2 1 345.531 3.116 20 0 EGADMP CCCC[N@H+]1CCC[C@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001724339478 1424831501 /nfs/dbraw/zinc/83/15/01/1424831501.db2.gz CEBHZWDWZJMMDK-OAQYLSRUSA-N 2 1 345.531 3.380 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001725003068 1425412831 /nfs/dbraw/zinc/41/28/31/1425412831.db2.gz NFORVTMBAWZDEI-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001725030926 1425450365 /nfs/dbraw/zinc/45/03/65/1425450365.db2.gz NXMSSBNPBYHDGJ-LSLCWXNRSA-N 2 1 335.536 3.188 20 0 EGADMP Cc1c(C(=O)NC[C@@H](C)[N@@H+](C)CCC2CCCC2)ccc2c[nH+]cn21 ZINC001725170304 1425677406 /nfs/dbraw/zinc/67/74/06/1425677406.db2.gz DOZXVFCGGDFYSR-OAHLLOKOSA-N 2 1 342.487 3.273 20 0 EGADMP CC(C)C[N@@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001725422807 1426076081 /nfs/dbraw/zinc/07/60/81/1426076081.db2.gz BSSQTMHVLVRICW-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001731811946 1427996513 /nfs/dbraw/zinc/99/65/13/1427996513.db2.gz ZFJVHPOASPFLCD-LPHOPBHVSA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](CC)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001731811946 1427996515 /nfs/dbraw/zinc/99/65/15/1427996515.db2.gz ZFJVHPOASPFLCD-LPHOPBHVSA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](CC)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001731811946 1427996517 /nfs/dbraw/zinc/99/65/17/1427996517.db2.gz ZFJVHPOASPFLCD-LPHOPBHVSA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)(C)CCC[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001733581347 1429784797 /nfs/dbraw/zinc/78/47/97/1429784797.db2.gz VMXAXRBVEALUEQ-KDURUIRLSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cccc(C)c2)[C@H](C)C1 ZINC001733901188 1437718881 /nfs/dbraw/zinc/71/88/81/1437718881.db2.gz MZGWXNGBXQFLQO-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C)c2)[C@H](C)C1 ZINC001733901188 1437718885 /nfs/dbraw/zinc/71/88/85/1437718885.db2.gz MZGWXNGBXQFLQO-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C)c2)[C@H](C)C1 ZINC001733901188 1437718888 /nfs/dbraw/zinc/71/88/88/1437718888.db2.gz MZGWXNGBXQFLQO-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001734060090 1437853567 /nfs/dbraw/zinc/85/35/67/1437853567.db2.gz SMLMHADJXUFSMH-QZTJIDSGSA-N 2 1 345.531 3.224 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)[C@H](C)c2ccccc2)CC1 ZINC001734271137 1438000589 /nfs/dbraw/zinc/00/05/89/1438000589.db2.gz DNEXKOGUGOZOGY-QGZVFWFLSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001734271137 1438000590 /nfs/dbraw/zinc/00/05/90/1438000590.db2.gz DNEXKOGUGOZOGY-QGZVFWFLSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001734271137 1438000591 /nfs/dbraw/zinc/00/05/91/1438000591.db2.gz DNEXKOGUGOZOGY-QGZVFWFLSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CC2CCC3(CC3)CC2)CC[N@H+]1C ZINC001751978981 1440130367 /nfs/dbraw/zinc/13/03/67/1440130367.db2.gz JUAXXPFWJYCIMH-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](C)CC2CCC3(CC3)CC2)CC[NH+]1C ZINC001751978981 1440130368 /nfs/dbraw/zinc/13/03/68/1440130368.db2.gz JUAXXPFWJYCIMH-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](C)CC2CCC3(CC3)CC2)CC[NH+]1C ZINC001751978981 1440130370 /nfs/dbraw/zinc/13/03/70/1440130370.db2.gz JUAXXPFWJYCIMH-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CCC1CCCC1 ZINC001751989451 1440131421 /nfs/dbraw/zinc/13/14/21/1440131421.db2.gz NQARXZDJAFATFU-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CCC1CCCC1 ZINC001751989451 1440131423 /nfs/dbraw/zinc/13/14/23/1440131423.db2.gz NQARXZDJAFATFU-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)CCC1CCCC1 ZINC001751989451 1440131425 /nfs/dbraw/zinc/13/14/25/1440131425.db2.gz NQARXZDJAFATFU-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CCCC1CCCC1 ZINC001751997498 1440131625 /nfs/dbraw/zinc/13/16/25/1440131625.db2.gz JNKDEZSBWIXNOE-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)CCCC1CCCC1 ZINC001751997498 1440131627 /nfs/dbraw/zinc/13/16/27/1440131627.db2.gz JNKDEZSBWIXNOE-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)CCCC1CCCC1 ZINC001751997498 1440131628 /nfs/dbraw/zinc/13/16/28/1440131628.db2.gz JNKDEZSBWIXNOE-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CCCC(C)(C)C ZINC001752077398 1440138806 /nfs/dbraw/zinc/13/88/06/1440138806.db2.gz XELDKDBESOQKNG-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)CCCC(C)(C)C ZINC001752077398 1440138808 /nfs/dbraw/zinc/13/88/08/1440138808.db2.gz XELDKDBESOQKNG-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)CCCC(C)(C)C ZINC001752077398 1440138809 /nfs/dbraw/zinc/13/88/09/1440138809.db2.gz XELDKDBESOQKNG-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001752121971 1440142574 /nfs/dbraw/zinc/14/25/74/1440142574.db2.gz PGEQQPUWLZHQFI-KRWDZBQOSA-N 2 1 349.494 3.201 20 0 EGADMP CC[N@@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)CC1CC(C)C1 ZINC001752193390 1440152844 /nfs/dbraw/zinc/15/28/44/1440152844.db2.gz QFWQZQIRLZHERU-UHFFFAOYSA-N 2 1 342.487 3.131 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001752293368 1440166424 /nfs/dbraw/zinc/16/64/24/1440166424.db2.gz JPGPQCJGHMSEPG-AZUAARDMSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001752293368 1440166430 /nfs/dbraw/zinc/16/64/30/1440166430.db2.gz JPGPQCJGHMSEPG-AZUAARDMSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001752293368 1440166438 /nfs/dbraw/zinc/16/64/38/1440166438.db2.gz JPGPQCJGHMSEPG-AZUAARDMSA-N 2 1 343.515 3.060 20 0 EGADMP CN(C(=O)CC[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001752301971 1440167760 /nfs/dbraw/zinc/16/77/60/1440167760.db2.gz WAOHCUKOSYZJRK-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001752518593 1440191721 /nfs/dbraw/zinc/19/17/21/1440191721.db2.gz WCHLPDGRUUHBSN-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001752518593 1440191722 /nfs/dbraw/zinc/19/17/22/1440191722.db2.gz WCHLPDGRUUHBSN-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001752518593 1440191723 /nfs/dbraw/zinc/19/17/23/1440191723.db2.gz WCHLPDGRUUHBSN-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001752517992 1440191805 /nfs/dbraw/zinc/19/18/05/1440191805.db2.gz LCSCKGGUVRIWDW-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H](C[N@H+](C)[C@H](C)c2ccccc2)C1 ZINC001752525763 1440192719 /nfs/dbraw/zinc/19/27/19/1440192719.db2.gz ODAOPTXKHVEOIW-RTBURBONSA-N 2 1 345.531 3.258 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H](C[N@@H+](C)[C@H](C)c2ccccc2)C1 ZINC001752525763 1440192720 /nfs/dbraw/zinc/19/27/20/1440192720.db2.gz ODAOPTXKHVEOIW-RTBURBONSA-N 2 1 345.531 3.258 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001752639109 1440197530 /nfs/dbraw/zinc/19/75/30/1440197530.db2.gz HRQDWKCHUZDNDR-IYARVYRRSA-N 2 1 347.547 3.377 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001752836789 1440228178 /nfs/dbraw/zinc/22/81/78/1440228178.db2.gz PVDHZKDYKQIPKY-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001752842010 1440231186 /nfs/dbraw/zinc/23/11/86/1440231186.db2.gz UGXLLOCVWOMJGX-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001752907679 1440244714 /nfs/dbraw/zinc/24/47/14/1440244714.db2.gz IRMFRUFBBHGEFY-SJORKVTESA-N 2 1 342.487 3.136 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CCCC2CCCC2)C1 ZINC001752997316 1440262700 /nfs/dbraw/zinc/26/27/00/1440262700.db2.gz OLDMDVNBNDMXPM-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001752997316 1440262701 /nfs/dbraw/zinc/26/27/01/1440262701.db2.gz OLDMDVNBNDMXPM-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001752997316 1440262702 /nfs/dbraw/zinc/26/27/02/1440262702.db2.gz OLDMDVNBNDMXPM-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP Cc1cccc([C@@H](C)[NH+](C)[C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001752999441 1440263669 /nfs/dbraw/zinc/26/36/69/1440263669.db2.gz ADMHXPQMVNTNED-UYAOXDASSA-N 2 1 345.531 3.319 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001752999441 1440263670 /nfs/dbraw/zinc/26/36/70/1440263670.db2.gz ADMHXPQMVNTNED-UYAOXDASSA-N 2 1 345.531 3.319 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001752999441 1440263671 /nfs/dbraw/zinc/26/36/71/1440263671.db2.gz ADMHXPQMVNTNED-UYAOXDASSA-N 2 1 345.531 3.319 20 0 EGADMP Cc1cc(C)c(C[NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)C2CCC2)c(C)c1 ZINC001753007565 1440266172 /nfs/dbraw/zinc/26/61/72/1440266172.db2.gz SVJBVSGXSPINRB-SFHVURJKSA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001753020307 1440269764 /nfs/dbraw/zinc/26/97/64/1440269764.db2.gz JHTCNRNLCPGONE-SJORKVTESA-N 2 1 345.531 3.061 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001753027308 1440271750 /nfs/dbraw/zinc/27/17/50/1440271750.db2.gz IEGZPPQXYFJOOL-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001753027308 1440271751 /nfs/dbraw/zinc/27/17/51/1440271751.db2.gz IEGZPPQXYFJOOL-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001753027308 1440271752 /nfs/dbraw/zinc/27/17/52/1440271752.db2.gz IEGZPPQXYFJOOL-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001753039955 1440276111 /nfs/dbraw/zinc/27/61/11/1440276111.db2.gz NVVGDLKAMZMEOC-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001753039955 1440276112 /nfs/dbraw/zinc/27/61/12/1440276112.db2.gz NVVGDLKAMZMEOC-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)CCNC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC001753068229 1440286839 /nfs/dbraw/zinc/28/68/39/1440286839.db2.gz VVTMKBHDEUMJGP-KRWDZBQOSA-N 2 1 342.487 3.124 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)CCNC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC001753068229 1440286840 /nfs/dbraw/zinc/28/68/40/1440286840.db2.gz VVTMKBHDEUMJGP-KRWDZBQOSA-N 2 1 342.487 3.124 20 0 EGADMP C[C@H]1CCC[C@@H](CC[N@@H+](CCNC(=O)C2CC[NH+](C)CC2)C2CC2)C1 ZINC001753159627 1440332856 /nfs/dbraw/zinc/33/28/56/1440332856.db2.gz VSDSGSMGLJHMKC-ROUUACIJSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)(C)CC[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001753160814 1440333784 /nfs/dbraw/zinc/33/37/84/1440333784.db2.gz BWKZEOONNJXJPV-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC1 ZINC001753160814 1440333785 /nfs/dbraw/zinc/33/37/85/1440333785.db2.gz BWKZEOONNJXJPV-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1CC1 ZINC001753160814 1440333786 /nfs/dbraw/zinc/33/37/86/1440333786.db2.gz BWKZEOONNJXJPV-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cc(C[N@H+](CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C2CC2)cs1 ZINC001753165167 1440335631 /nfs/dbraw/zinc/33/56/31/1440335631.db2.gz PJPPNEPURQHRNR-GJZGRUSLSA-N 2 1 349.544 3.010 20 0 EGADMP CN(CC[NH2+]CCC1CCCC1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001753222727 1440340310 /nfs/dbraw/zinc/34/03/10/1440340310.db2.gz KZRZNWSBFIJOAH-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CC/C=C\CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001753359873 1440382097 /nfs/dbraw/zinc/38/20/97/1440382097.db2.gz MVNCQUVYYUWCIK-XOUUWWQPSA-N 2 1 349.563 3.243 20 0 EGADMP C[N@@H+](CCC(=O)NCC1C[NH+](CCC(C)(C)C)C1)C1CCCCC1 ZINC001753406611 1440392104 /nfs/dbraw/zinc/39/21/04/1440392104.db2.gz CIYHGOOWFMMMMT-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CCN(C(=O)Cn1cc[nH+]c1C(C)C)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001753459910 1440409893 /nfs/dbraw/zinc/40/98/93/1440409893.db2.gz VBSUEGMKUQSCIN-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CCN(C(=O)Cn1cc[nH+]c1C(C)C)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001753459910 1440409894 /nfs/dbraw/zinc/40/98/94/1440409894.db2.gz VBSUEGMKUQSCIN-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc2ccc(C)cc2)C1 ZINC001753485433 1440417604 /nfs/dbraw/zinc/41/76/04/1440417604.db2.gz XSTMSCSWBBXGLQ-PMACEKPBSA-N 2 1 345.531 3.101 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@]1(C[NH2+]CC2CCCC2)CCCC[C@H]1C ZINC001753534908 1440432299 /nfs/dbraw/zinc/43/22/99/1440432299.db2.gz ABYARSJFYCWBJJ-XLIONFOSSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001753587358 1440441666 /nfs/dbraw/zinc/44/16/66/1440441666.db2.gz SVXZOIIIOGWOEI-RDGPPVDQSA-N 2 1 337.552 3.027 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC3(C[NH+](CCCC(C)(C)C)C3)CC2)C1 ZINC001753674844 1440462981 /nfs/dbraw/zinc/46/29/81/1440462981.db2.gz ICCUQZLPPZCNDS-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001753708834 1440470072 /nfs/dbraw/zinc/47/00/72/1440470072.db2.gz MNOJQAKURJQJSY-SCTDSRPQSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH2+]C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C1CCCCC1 ZINC001753746047 1440481048 /nfs/dbraw/zinc/48/10/48/1440481048.db2.gz MUJMBDKUGMSKOD-WBVHZDCISA-N 2 1 334.508 3.071 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCCC2CCCC2)C1 ZINC001753788403 1440488536 /nfs/dbraw/zinc/48/85/36/1440488536.db2.gz NWXVYKLTZZFJTQ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C(C)C ZINC001753829963 1440499349 /nfs/dbraw/zinc/49/93/49/1440499349.db2.gz DYODAXLYXSJWKK-ROUUACIJSA-N 2 1 337.552 3.027 20 0 EGADMP Cc1ccccc1C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001753830351 1440499507 /nfs/dbraw/zinc/49/95/07/1440499507.db2.gz VCERZFVZPZGYKL-UXHICEINSA-N 2 1 345.531 3.098 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1cccc(C)c1)C(C)C ZINC001753831669 1440499849 /nfs/dbraw/zinc/49/98/49/1440499849.db2.gz YJNZIJOZWXPWMZ-UXHICEINSA-N 2 1 345.531 3.100 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCN(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001753862698 1440512538 /nfs/dbraw/zinc/51/25/38/1440512538.db2.gz QSNKZONHQIOTKB-GOSISDBHSA-N 2 1 345.531 3.096 20 0 EGADMP C[C@H](C(=O)N(C)CC[N@@H+](C)CCCC1CCC1)[NH+]1CCCCCC1 ZINC001753864766 1440513804 /nfs/dbraw/zinc/51/38/04/1440513804.db2.gz VPXUGDMJMRNFSR-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CC[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001753971156 1440527113 /nfs/dbraw/zinc/52/71/13/1440527113.db2.gz SLPYZUJIJGTPJF-ZWKOTPCHSA-N 2 1 345.531 3.333 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCC(C)CC1 ZINC001754139857 1440544205 /nfs/dbraw/zinc/54/42/05/1440544205.db2.gz JHUOIXUDYRQOIK-DPGPQQRUSA-N 2 1 349.563 3.195 20 0 EGADMP Cc1cc(C)c(C[NH2+]C[C@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)c(C)c1 ZINC001754270637 1440561426 /nfs/dbraw/zinc/56/14/26/1440561426.db2.gz JRTPQVBOVQBHJV-RBUKOAKNSA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001754324245 1440579645 /nfs/dbraw/zinc/57/96/45/1440579645.db2.gz QWTPASSPPIHROV-MJGOQNOKSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001754324245 1440579646 /nfs/dbraw/zinc/57/96/46/1440579646.db2.gz QWTPASSPPIHROV-MJGOQNOKSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001754324245 1440579647 /nfs/dbraw/zinc/57/96/47/1440579647.db2.gz QWTPASSPPIHROV-MJGOQNOKSA-N 2 1 335.536 3.186 20 0 EGADMP C[C@@H](C[N@@H+](C)CC1CC(C)(C)C1)NC(=O)CCC[NH+]1CCCCC1 ZINC001754332947 1440585069 /nfs/dbraw/zinc/58/50/69/1440585069.db2.gz IYEPUEPCEJXDGQ-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1ccc(C)c(C[N@H+](C)C[C@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001754337535 1440587166 /nfs/dbraw/zinc/58/71/66/1440587166.db2.gz VYUGONBCXATWHH-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CN(CCC[NH2+]CCCC(C)(C)C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001754380598 1440593350 /nfs/dbraw/zinc/59/33/50/1440593350.db2.gz XUEWZPHFOKVSCJ-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001754542282 1440626370 /nfs/dbraw/zinc/62/63/70/1440626370.db2.gz LMKHNEZNMMOVID-UEIMZRGPSA-N 2 1 347.547 3.281 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001754542282 1440626371 /nfs/dbraw/zinc/62/63/71/1440626371.db2.gz LMKHNEZNMMOVID-UEIMZRGPSA-N 2 1 347.547 3.281 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001754542282 1440626372 /nfs/dbraw/zinc/62/63/72/1440626372.db2.gz LMKHNEZNMMOVID-UEIMZRGPSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CCC3CCCCC3)C2)C1 ZINC001754570417 1440636916 /nfs/dbraw/zinc/63/69/16/1440636916.db2.gz WACSAMACEFEIJR-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@]2(CC[N@H+](CCC3CCCCC3)C2)C1 ZINC001754570417 1440636917 /nfs/dbraw/zinc/63/69/17/1440636917.db2.gz WACSAMACEFEIJR-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@]2(CC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001754570417 1440636918 /nfs/dbraw/zinc/63/69/18/1440636918.db2.gz WACSAMACEFEIJR-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001754578516 1440638318 /nfs/dbraw/zinc/63/83/18/1440638318.db2.gz KHLMMHYRYXSHFA-UYAOXDASSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001754578516 1440638319 /nfs/dbraw/zinc/63/83/19/1440638319.db2.gz KHLMMHYRYXSHFA-UYAOXDASSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C1C[NH+](CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC001754586764 1440639998 /nfs/dbraw/zinc/63/99/98/1440639998.db2.gz ZCQNDPPEACGDFO-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CCC/C=C\CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001754628568 1440647013 /nfs/dbraw/zinc/64/70/13/1440647013.db2.gz YCWONAPTLUQXNS-XSAZBNQGSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+](Cc2c(C)cc(C)cc2C)C1 ZINC001754682204 1440663095 /nfs/dbraw/zinc/66/30/95/1440663095.db2.gz AGFBJKFRIIBJQQ-OAQYLSRUSA-N 2 1 345.531 3.034 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@H+](Cc2c(C)cc(C)cc2C)C1 ZINC001754682204 1440663096 /nfs/dbraw/zinc/66/30/96/1440663096.db2.gz AGFBJKFRIIBJQQ-OAQYLSRUSA-N 2 1 345.531 3.034 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](Cc2c(C)cc(C)cc2C)C1 ZINC001754682204 1440663097 /nfs/dbraw/zinc/66/30/97/1440663097.db2.gz AGFBJKFRIIBJQQ-OAQYLSRUSA-N 2 1 345.531 3.034 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+](Cc2c(C)cc(C)cc2C)C1 ZINC001754682203 1440663266 /nfs/dbraw/zinc/66/32/66/1440663266.db2.gz AGFBJKFRIIBJQQ-NRFANRHFSA-N 2 1 345.531 3.034 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+](Cc2c(C)cc(C)cc2C)C1 ZINC001754682203 1440663267 /nfs/dbraw/zinc/66/32/67/1440663267.db2.gz AGFBJKFRIIBJQQ-NRFANRHFSA-N 2 1 345.531 3.034 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](Cc2c(C)cc(C)cc2C)C1 ZINC001754682203 1440663268 /nfs/dbraw/zinc/66/32/68/1440663268.db2.gz AGFBJKFRIIBJQQ-NRFANRHFSA-N 2 1 345.531 3.034 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@]1(C)CC[N@H+](CC2=CCCCC2)C1 ZINC001754683028 1440663487 /nfs/dbraw/zinc/66/34/87/1440663487.db2.gz QQDSPTGLOHBMQE-HXUWFJFHSA-N 2 1 344.503 3.053 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@]1(C)CC[N@@H+](CC2=CCCCC2)C1 ZINC001754683028 1440663488 /nfs/dbraw/zinc/66/34/88/1440663488.db2.gz QQDSPTGLOHBMQE-HXUWFJFHSA-N 2 1 344.503 3.053 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC2CCCC2)CC1 ZINC001754716786 1440671822 /nfs/dbraw/zinc/67/18/22/1440671822.db2.gz ZRHGWOPFWHXQDE-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2(C)CC[NH+](CCC3CCCC3)CC2)C1 ZINC001754720586 1440673076 /nfs/dbraw/zinc/67/30/76/1440673076.db2.gz QYOVIYWVFVRZOS-GOSISDBHSA-N 2 1 349.563 3.127 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001754727848 1440677341 /nfs/dbraw/zinc/67/73/41/1440677341.db2.gz OOFQMDAJZZOCEL-HFYBBEMZSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@](C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001754727848 1440677342 /nfs/dbraw/zinc/67/73/42/1440677342.db2.gz OOFQMDAJZZOCEL-HFYBBEMZSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@](C)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001754727848 1440677343 /nfs/dbraw/zinc/67/73/43/1440677343.db2.gz OOFQMDAJZZOCEL-HFYBBEMZSA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001754729641 1440678381 /nfs/dbraw/zinc/67/83/81/1440678381.db2.gz OFLNREOEZYWHLA-NRFANRHFSA-N 2 1 347.547 3.047 20 0 EGADMP CCc1ccccc1[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]C(C)C ZINC001754789262 1440688427 /nfs/dbraw/zinc/68/84/27/1440688427.db2.gz KLCHFOKWBQIYET-IBGZPJMESA-N 2 1 347.547 3.382 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001754869843 1440704598 /nfs/dbraw/zinc/70/45/98/1440704598.db2.gz QPTQOXQBRKWDGD-CEXWTWQISA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CC=C(C)C)C[C@H]21 ZINC001754873710 1440706099 /nfs/dbraw/zinc/70/60/99/1440706099.db2.gz UDDSXRHBRCNRCB-VQTJNVASSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[C@H]2C[N@H+](CC=C(C)C)C[C@H]21 ZINC001754873710 1440706100 /nfs/dbraw/zinc/70/61/00/1440706100.db2.gz UDDSXRHBRCNRCB-VQTJNVASSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[C@H]2C[N@@H+](CC=C(C)C)C[C@H]21 ZINC001754873710 1440706101 /nfs/dbraw/zinc/70/61/01/1440706101.db2.gz UDDSXRHBRCNRCB-VQTJNVASSA-N 2 1 349.563 3.388 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001754919112 1440709072 /nfs/dbraw/zinc/70/90/72/1440709072.db2.gz MHUSJRGKMDNEQZ-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001754945017 1440712457 /nfs/dbraw/zinc/71/24/57/1440712457.db2.gz PKQLTRDHPLGWQZ-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001755034434 1440733656 /nfs/dbraw/zinc/73/36/56/1440733656.db2.gz RAKWKKLTVWCDDJ-MOPGFXCFSA-N 2 1 345.531 3.367 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001755034434 1440733657 /nfs/dbraw/zinc/73/36/57/1440733657.db2.gz RAKWKKLTVWCDDJ-MOPGFXCFSA-N 2 1 345.531 3.367 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001755034434 1440733658 /nfs/dbraw/zinc/73/36/58/1440733658.db2.gz RAKWKKLTVWCDDJ-MOPGFXCFSA-N 2 1 345.531 3.367 20 0 EGADMP CC(C)C[N@H+]1Cc2ccc(CNC(=O)CC3CC[NH+](C)CC3)cc2C1 ZINC001755101368 1440752639 /nfs/dbraw/zinc/75/26/39/1440752639.db2.gz AXAMRIWCTDUDJT-UHFFFAOYSA-N 2 1 343.515 3.006 20 0 EGADMP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001755128228 1440756585 /nfs/dbraw/zinc/75/65/85/1440756585.db2.gz XLKVFUKIJUTANO-MZIIKBMYSA-N 2 1 335.536 3.044 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1CC[NH+](CC2CC2)CC1(C)C)C1CCCCC1 ZINC001755142231 1440761037 /nfs/dbraw/zinc/76/10/37/1440761037.db2.gz UYEJKDUBHDFCAK-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CCC(=O)N[C@H]1CC[N@H+](CC2CC2)CC1(C)C)C1CCCCC1 ZINC001755142231 1440761038 /nfs/dbraw/zinc/76/10/38/1440761038.db2.gz UYEJKDUBHDFCAK-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CCC(=O)N[C@H]1CC[N@@H+](CC2CC2)CC1(C)C)C1CCCCC1 ZINC001755142231 1440761039 /nfs/dbraw/zinc/76/10/39/1440761039.db2.gz UYEJKDUBHDFCAK-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC001755170500 1440768478 /nfs/dbraw/zinc/76/84/78/1440768478.db2.gz FBLWVJCXANRRJU-LNLFQRSKSA-N 2 1 331.504 3.025 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC([C@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC001755204591 1440781828 /nfs/dbraw/zinc/78/18/28/1440781828.db2.gz LRPOBZWDTYZWFC-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP O=C(NC1CC(C[NH2+]CCC2CC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001755216092 1440784058 /nfs/dbraw/zinc/78/40/58/1440784058.db2.gz MXZAKNNNEFDZNR-QLOJAFMTSA-N 2 1 347.547 3.068 20 0 EGADMP Cc1ccc(C[NH2+]C2CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC2)cc1 ZINC001755278817 1440800073 /nfs/dbraw/zinc/80/00/73/1440800073.db2.gz SAVPYXYGBGCWLK-UHFFFAOYSA-N 2 1 345.531 3.194 20 0 EGADMP Cc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001755281631 1440800824 /nfs/dbraw/zinc/80/08/24/1440800824.db2.gz PMPXLXGWKUNAQK-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001755313215 1440814277 /nfs/dbraw/zinc/81/42/77/1440814277.db2.gz KNIJQJJEYZLLSI-DLBZAZTESA-N 2 1 347.547 3.433 20 0 EGADMP CCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001755363370 1440833029 /nfs/dbraw/zinc/83/30/29/1440833029.db2.gz IILVHVPECRVHNR-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001755363370 1440833030 /nfs/dbraw/zinc/83/30/30/1440833030.db2.gz IILVHVPECRVHNR-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001755363370 1440833031 /nfs/dbraw/zinc/83/30/31/1440833031.db2.gz IILVHVPECRVHNR-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCCC[NH+]2CCC(C)(C)C)C1 ZINC001755367380 1440835366 /nfs/dbraw/zinc/83/53/66/1440835366.db2.gz GPUIHOFDBPXQEE-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CCCCC[N@@H+]2CCC(C)(C)C)C1 ZINC001755367380 1440835367 /nfs/dbraw/zinc/83/53/67/1440835367.db2.gz GPUIHOFDBPXQEE-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CCCCC[N@H+]2CCC(C)(C)C)C1 ZINC001755367380 1440835368 /nfs/dbraw/zinc/83/53/68/1440835368.db2.gz GPUIHOFDBPXQEE-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1C[NH+](CCC2CCCCCC2)C1 ZINC001755389392 1440841619 /nfs/dbraw/zinc/84/16/19/1440841619.db2.gz VSQYVYCHNGDDJI-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001755414019 1440847940 /nfs/dbraw/zinc/84/79/40/1440847940.db2.gz NYCCXIOFFPABDX-QZTJIDSGSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)Cc2cccc(CC)c2)CC1 ZINC001755535515 1440869251 /nfs/dbraw/zinc/86/92/51/1440869251.db2.gz KRZFIYADSASQOT-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@H+](C)Cc2cccc(CC)c2)CC1 ZINC001755535515 1440869252 /nfs/dbraw/zinc/86/92/52/1440869252.db2.gz KRZFIYADSASQOT-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](C)Cc2cccc(CC)c2)CC1 ZINC001755535515 1440869253 /nfs/dbraw/zinc/86/92/53/1440869253.db2.gz KRZFIYADSASQOT-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH2+]Cc1ccsc1 ZINC001755591249 1440881664 /nfs/dbraw/zinc/88/16/64/1440881664.db2.gz WMKAIQKLQPKDIJ-CRAIPNDOSA-N 2 1 349.544 3.092 20 0 EGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC001755661324 1440892718 /nfs/dbraw/zinc/89/27/18/1440892718.db2.gz KLVOUHAUNBJIMG-SJORKVTESA-N 2 1 334.508 3.166 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)[C@H]1C ZINC001755663679 1440893165 /nfs/dbraw/zinc/89/31/65/1440893165.db2.gz NIUSKZCQYAEPLZ-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1cc(C)c(C[NH2+][C@H]2C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)c(C)c1 ZINC001755692308 1440897037 /nfs/dbraw/zinc/89/70/37/1440897037.db2.gz JKKBPEHORVVTCU-OALUTQOASA-N 2 1 345.531 3.031 20 0 EGADMP CCCC[N@@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3CC)CCC[C@H]12 ZINC001755701243 1440900277 /nfs/dbraw/zinc/90/02/77/1440900277.db2.gz JTBJXWHVTQIZCL-ABSDTBQOSA-N 2 1 346.519 3.310 20 0 EGADMP CCCC[N@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3CC)CCC[C@H]12 ZINC001755701243 1440900278 /nfs/dbraw/zinc/90/02/78/1440900278.db2.gz JTBJXWHVTQIZCL-ABSDTBQOSA-N 2 1 346.519 3.310 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CC1CCCCC1)CC2 ZINC001755704925 1440902212 /nfs/dbraw/zinc/90/22/12/1440902212.db2.gz RWMDPECDRFDBNY-QUCCMNQESA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1[N@H+](CC1CCCCC1)CC2 ZINC001755704925 1440902213 /nfs/dbraw/zinc/90/22/13/1440902213.db2.gz RWMDPECDRFDBNY-QUCCMNQESA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1[N@@H+](CC1CCCCC1)CC2 ZINC001755704925 1440902214 /nfs/dbraw/zinc/90/22/14/1440902214.db2.gz RWMDPECDRFDBNY-QUCCMNQESA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cc(C)ccc2C)C1 ZINC001755746346 1440912486 /nfs/dbraw/zinc/91/24/86/1440912486.db2.gz HDXBSFPYAVOCQQ-UYAOXDASSA-N 2 1 345.531 3.020 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001755890340 1440941415 /nfs/dbraw/zinc/94/14/15/1440941415.db2.gz DRWNRZLNWRXAGF-GOSISDBHSA-N 2 1 349.563 3.293 20 0 EGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CCCCC23CC[NH2+]CC3)n1 ZINC001164419511 718910941 /nfs/dbraw/zinc/91/09/41/718910941.db2.gz BNNROCBYUGSWKX-UHFFFAOYSA-N 2 1 348.922 3.443 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)nc1 ZINC001164619557 719124785 /nfs/dbraw/zinc/12/47/85/719124785.db2.gz FERNKCYRKSYTNA-KZNAEPCWSA-N 2 1 346.494 3.142 20 0 EGADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(C(C)(C)C)cn2)c2c1CC[NH2+]C2 ZINC001164680751 719651629 /nfs/dbraw/zinc/65/16/29/719651629.db2.gz IQNAHZJIUBYAJN-UHFFFAOYSA-N 2 1 341.503 3.051 20 0 EGADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(C(C)(C)C)cn2)c2c1CC[NH2+]C2 ZINC001164680751 719651633 /nfs/dbraw/zinc/65/16/33/719651633.db2.gz IQNAHZJIUBYAJN-UHFFFAOYSA-N 2 1 341.503 3.051 20 0 EGADMP Cc1[nH+]c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc2[nH]ccc21 ZINC001164727629 720423689 /nfs/dbraw/zinc/42/36/89/720423689.db2.gz DTHZDVMKXBQQKD-OALUTQOASA-N 2 1 333.439 3.120 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(C)CC2CC[NH+](C)CC2)nc1 ZINC001165045129 721938823 /nfs/dbraw/zinc/93/88/23/721938823.db2.gz URNGTOVYOQDKKV-LJQANCHMSA-N 2 1 330.520 3.407 20 0 EGADMP Cc1noc(C2CCC([NH2+]C[C@H]3CCC[N@H+](CC(C)C)C3)CC2)n1 ZINC000368187044 168321401 /nfs/dbraw/zinc/32/14/01/168321401.db2.gz VPQQMSMHSITOLX-WWDZGPRUSA-N 2 1 334.508 3.362 20 0 EGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000054241508 214225604 /nfs/dbraw/zinc/22/56/04/214225604.db2.gz AXQFBSJPAQKLSM-DZGCQCFKSA-N 2 1 325.294 3.312 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC000348830513 282231113 /nfs/dbraw/zinc/23/11/13/282231113.db2.gz FGNKPKGTYQJEOU-SFHVURJKSA-N 2 1 349.906 3.030 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347141291 282239709 /nfs/dbraw/zinc/23/97/09/282239709.db2.gz WEFBDNZJBLNQAK-HIFRSBDPSA-N 2 1 332.879 3.393 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000375621406 282256424 /nfs/dbraw/zinc/25/64/24/282256424.db2.gz SHKLPNYMVRSECS-LPHOPBHVSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187967937 530053812 /nfs/dbraw/zinc/05/38/12/530053812.db2.gz TWCIINJSQODBBT-NHCUHLMSSA-N 2 1 329.532 3.114 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1C ZINC000178700250 232389973 /nfs/dbraw/zinc/38/99/73/232389973.db2.gz FOGQCHNARKYABR-GDBMZVCRSA-N 2 1 342.487 3.451 20 0 EGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)CCS2 ZINC000187168235 236135856 /nfs/dbraw/zinc/13/58/56/236135856.db2.gz DLCPSJPYPODOSB-IBGZPJMESA-N 2 1 347.572 3.458 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1nc2ccccc2n1C ZINC000091311208 299290379 /nfs/dbraw/zinc/29/03/79/299290379.db2.gz VVPRFWDZPDGOTM-BBWFWOEESA-N 2 1 344.503 3.113 20 0 EGADMP Fc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Br ZINC000250732717 201180671 /nfs/dbraw/zinc/18/06/71/201180671.db2.gz AEROFFWDZBXALS-STQMWFEESA-N 2 1 327.241 3.305 20 0 EGADMP Fc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Br ZINC000250732717 201180674 /nfs/dbraw/zinc/18/06/74/201180674.db2.gz AEROFFWDZBXALS-STQMWFEESA-N 2 1 327.241 3.305 20 0 EGADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272279956 201249002 /nfs/dbraw/zinc/24/90/02/201249002.db2.gz CWEYKJRBNRDVHR-KCLUMXDGSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H](N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272279956 201249004 /nfs/dbraw/zinc/24/90/04/201249004.db2.gz CWEYKJRBNRDVHR-KCLUMXDGSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H](N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272279956 201249006 /nfs/dbraw/zinc/24/90/06/201249006.db2.gz CWEYKJRBNRDVHR-KCLUMXDGSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272279956 201249007 /nfs/dbraw/zinc/24/90/07/201249007.db2.gz CWEYKJRBNRDVHR-KCLUMXDGSA-N 3 1 327.516 3.113 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272279956 201249009 /nfs/dbraw/zinc/24/90/09/201249009.db2.gz CWEYKJRBNRDVHR-KCLUMXDGSA-N 3 1 327.516 3.113 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272279956 201249010 /nfs/dbraw/zinc/24/90/10/201249010.db2.gz CWEYKJRBNRDVHR-KCLUMXDGSA-N 3 1 327.516 3.113 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272279956 201249011 /nfs/dbraw/zinc/24/90/11/201249011.db2.gz CWEYKJRBNRDVHR-KCLUMXDGSA-N 3 1 327.516 3.113 20 0 EGADMP C[C@H](N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272665215 201251994 /nfs/dbraw/zinc/25/19/94/201251994.db2.gz SDAZVAITEQODCP-RAUXBKROSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H](N[C@@H]1C[C@H](C)[NH+](C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272665215 201251997 /nfs/dbraw/zinc/25/19/97/201251997.db2.gz SDAZVAITEQODCP-RAUXBKROSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H](N[C@@H]1C[C@H](C)[NH+](C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272665215 201251999 /nfs/dbraw/zinc/25/19/99/201251999.db2.gz SDAZVAITEQODCP-RAUXBKROSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272665215 201252002 /nfs/dbraw/zinc/25/20/02/201252002.db2.gz SDAZVAITEQODCP-RAUXBKROSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272665215 201252005 /nfs/dbraw/zinc/25/20/05/201252005.db2.gz SDAZVAITEQODCP-RAUXBKROSA-N 2 1 327.516 3.112 20 0 EGADMP c1[nH]nc2cc(C[N@H+](Cc3ccccn3)[C@H]3CCC[NH2+]CC3)ccc12 ZINC000275865375 201287633 /nfs/dbraw/zinc/28/76/33/201287633.db2.gz ZMCUNGSTZOYHAE-IBGZPJMESA-N 2 1 335.455 3.102 20 0 EGADMP c1[nH]nc2cc(C[N@@H+](Cc3ccccn3)[C@H]3CCC[NH2+]CC3)ccc12 ZINC000275865375 201287636 /nfs/dbraw/zinc/28/76/36/201287636.db2.gz ZMCUNGSTZOYHAE-IBGZPJMESA-N 2 1 335.455 3.102 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000290284429 201341889 /nfs/dbraw/zinc/34/18/89/201341889.db2.gz XNCMBOBULCHZNY-PKOBYXMFSA-N 2 1 326.488 3.373 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000290284429 201341896 /nfs/dbraw/zinc/34/18/96/201341896.db2.gz XNCMBOBULCHZNY-PKOBYXMFSA-N 2 1 326.488 3.373 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193155336 240043032 /nfs/dbraw/zinc/04/30/32/240043032.db2.gz OMMYUGHCQOYLFZ-HZPDHXFCSA-N 2 1 328.909 3.259 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@@H](C)C1 ZINC000246819619 243321447 /nfs/dbraw/zinc/32/14/47/243321447.db2.gz BCFAEWLIFNFRQN-HNAYVOBHSA-N 2 1 329.488 3.245 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@@H](C)C1 ZINC000246819619 243321454 /nfs/dbraw/zinc/32/14/54/243321454.db2.gz BCFAEWLIFNFRQN-HNAYVOBHSA-N 2 1 329.488 3.245 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000072858422 203249590 /nfs/dbraw/zinc/24/95/90/203249590.db2.gz MKROMCDKEDFFAQ-QGZVFWFLSA-N 2 1 339.483 3.442 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000072858422 203249593 /nfs/dbraw/zinc/24/95/93/203249593.db2.gz MKROMCDKEDFFAQ-QGZVFWFLSA-N 2 1 339.483 3.442 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000072858422 203249596 /nfs/dbraw/zinc/24/95/96/203249596.db2.gz MKROMCDKEDFFAQ-QGZVFWFLSA-N 2 1 339.483 3.442 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000103188492 204066523 /nfs/dbraw/zinc/06/65/23/204066523.db2.gz AHSKYRNZTMFVLV-LJQANCHMSA-N 2 1 325.456 3.380 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000103188492 204066528 /nfs/dbraw/zinc/06/65/28/204066528.db2.gz AHSKYRNZTMFVLV-LJQANCHMSA-N 2 1 325.456 3.380 20 0 EGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000108873228 204272628 /nfs/dbraw/zinc/27/26/28/204272628.db2.gz JGYBCAWAEFBOGN-SFHVURJKSA-N 2 1 343.515 3.014 20 0 EGADMP COc1cccc(C[N@H+](CCCn2cc[nH+]c2C)C[C@H]2CCCO2)c1 ZINC000127317368 205094518 /nfs/dbraw/zinc/09/45/18/205094518.db2.gz RIDVWWCURSMCON-HXUWFJFHSA-N 2 1 343.471 3.271 20 0 EGADMP COc1cccc(C[N@@H+](CCCn2cc[nH+]c2C)C[C@H]2CCCO2)c1 ZINC000127317368 205094523 /nfs/dbraw/zinc/09/45/23/205094523.db2.gz RIDVWWCURSMCON-HXUWFJFHSA-N 2 1 343.471 3.271 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000126773777 205071030 /nfs/dbraw/zinc/07/10/30/205071030.db2.gz XEPWYMHGZVBHDW-YJBOKZPZSA-N 2 1 332.517 3.435 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000126773777 205071033 /nfs/dbraw/zinc/07/10/33/205071033.db2.gz XEPWYMHGZVBHDW-YJBOKZPZSA-N 2 1 332.517 3.435 20 0 EGADMP CSc1cccc(NC(=O)[C@@H](C)[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000130632939 205249227 /nfs/dbraw/zinc/24/92/27/205249227.db2.gz BJSFXZIXKSSVDT-CQSZACIVSA-N 2 1 346.500 3.263 20 0 EGADMP CSc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000130632939 205249232 /nfs/dbraw/zinc/24/92/32/205249232.db2.gz BJSFXZIXKSSVDT-CQSZACIVSA-N 2 1 346.500 3.263 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH+](CC2CC2)CC1 ZINC000130668861 205250004 /nfs/dbraw/zinc/25/00/04/205250004.db2.gz WEHRERMGAYZAET-UHFFFAOYSA-N 2 1 329.532 3.172 20 0 EGADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000351781868 284367929 /nfs/dbraw/zinc/36/79/29/284367929.db2.gz HXAYPYRYFBKYCK-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP CN(C)C(=O)Sc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000158622424 206201417 /nfs/dbraw/zinc/20/14/17/206201417.db2.gz UVSLGECEPFUZDM-WMZOPIPTSA-N 2 1 347.528 3.376 20 0 EGADMP CN(C)C(=O)Sc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000158622424 206201422 /nfs/dbraw/zinc/20/14/22/206201422.db2.gz UVSLGECEPFUZDM-WMZOPIPTSA-N 2 1 347.528 3.376 20 0 EGADMP CN(C)C(=O)Sc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000158622424 206201425 /nfs/dbraw/zinc/20/14/25/206201425.db2.gz UVSLGECEPFUZDM-WMZOPIPTSA-N 2 1 347.528 3.376 20 0 EGADMP CN(C)C(=O)Sc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000158622424 206201428 /nfs/dbraw/zinc/20/14/28/206201428.db2.gz UVSLGECEPFUZDM-WMZOPIPTSA-N 2 1 347.528 3.376 20 0 EGADMP CCC(C)(C)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000265166112 247263962 /nfs/dbraw/zinc/26/39/62/247263962.db2.gz CTDOELLKDOZPMN-UHFFFAOYSA-N 2 1 349.544 3.294 20 0 EGADMP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000266143560 248127061 /nfs/dbraw/zinc/12/70/61/248127061.db2.gz HUJKQUOWFUSMDW-LJQANCHMSA-N 2 1 330.497 3.210 20 0 EGADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000378632934 169150008 /nfs/dbraw/zinc/15/00/08/169150008.db2.gz NKOVIQJGGPPAJC-XFWGSAIBSA-N 2 1 334.479 3.330 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000268775751 252226124 /nfs/dbraw/zinc/22/61/24/252226124.db2.gz AJCZWVRMGZLTAT-ZDUSSCGKSA-N 2 1 327.407 3.176 20 0 EGADMP CCC[N@H+]1CC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268804432 252257409 /nfs/dbraw/zinc/25/74/09/252257409.db2.gz CEHPOYVQQGNWPY-TYPHKJRUSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268804432 252257413 /nfs/dbraw/zinc/25/74/13/252257413.db2.gz CEHPOYVQQGNWPY-TYPHKJRUSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268804432 252257415 /nfs/dbraw/zinc/25/74/15/252257415.db2.gz CEHPOYVQQGNWPY-TYPHKJRUSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268804432 252257418 /nfs/dbraw/zinc/25/74/18/252257418.db2.gz CEHPOYVQQGNWPY-TYPHKJRUSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268804432 252257421 /nfs/dbraw/zinc/25/74/21/252257421.db2.gz CEHPOYVQQGNWPY-TYPHKJRUSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268804432 252257423 /nfs/dbraw/zinc/25/74/23/252257423.db2.gz CEHPOYVQQGNWPY-TYPHKJRUSA-N 3 1 329.532 3.361 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268804432 252257426 /nfs/dbraw/zinc/25/74/26/252257426.db2.gz CEHPOYVQQGNWPY-TYPHKJRUSA-N 3 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268804432 252257428 /nfs/dbraw/zinc/25/74/28/252257428.db2.gz CEHPOYVQQGNWPY-TYPHKJRUSA-N 3 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268804432 252257430 /nfs/dbraw/zinc/25/74/30/252257430.db2.gz CEHPOYVQQGNWPY-TYPHKJRUSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(SCC(F)F)cc1 ZINC000268810096 252262852 /nfs/dbraw/zinc/26/28/52/252262852.db2.gz DRRMEZKZXIJVFU-DZGCQCFKSA-N 2 1 344.471 3.151 20 0 EGADMP COc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)[NH+]2CCCCC2)cc1 ZINC000154201224 533184515 /nfs/dbraw/zinc/18/45/15/533184515.db2.gz HAQUEIXPUHVVKD-CUWPLCDZSA-N 2 1 345.531 3.295 20 0 EGADMP C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371336010 533410839 /nfs/dbraw/zinc/41/08/39/533410839.db2.gz NDVKAFHRJMYFPF-DQYQWZCESA-N 2 1 327.516 3.190 20 0 EGADMP C[C@@H](CCSc1ccccc1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000153503961 533648329 /nfs/dbraw/zinc/64/83/29/533648329.db2.gz NCLOXDAVLGIZIQ-KRWDZBQOSA-N 2 1 336.545 3.336 20 0 EGADMP C[C@@H](CCSc1ccccc1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000153503961 533648340 /nfs/dbraw/zinc/64/83/40/533648340.db2.gz NCLOXDAVLGIZIQ-KRWDZBQOSA-N 2 1 336.545 3.336 20 0 EGADMP C[C@H](CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000246907156 141042813 /nfs/dbraw/zinc/04/28/13/141042813.db2.gz GDBNUUKTIYPFCG-HDAAZOAOSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000246907156 141042814 /nfs/dbraw/zinc/04/28/14/141042814.db2.gz GDBNUUKTIYPFCG-HDAAZOAOSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@H](CN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000246907156 141042815 /nfs/dbraw/zinc/04/28/15/141042815.db2.gz GDBNUUKTIYPFCG-HDAAZOAOSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@H](CN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000246907156 141042816 /nfs/dbraw/zinc/04/28/16/141042816.db2.gz GDBNUUKTIYPFCG-HDAAZOAOSA-N 2 1 344.547 3.002 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000246959862 141045648 /nfs/dbraw/zinc/04/56/48/141045648.db2.gz IOIZYPXEJMNHHY-OXJNMPFZSA-N 2 1 333.495 3.110 20 0 EGADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338012485 141072767 /nfs/dbraw/zinc/07/27/67/141072767.db2.gz BBCHPHXAASBFBC-MJGOQNOKSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338012485 141072769 /nfs/dbraw/zinc/07/27/69/141072769.db2.gz BBCHPHXAASBFBC-MJGOQNOKSA-N 2 1 326.488 3.162 20 0 EGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000346223935 141184534 /nfs/dbraw/zinc/18/45/34/141184534.db2.gz VFYWCGKOZMXWFE-UHFFFAOYSA-N 2 1 341.484 3.122 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000352966579 141279242 /nfs/dbraw/zinc/27/92/42/141279242.db2.gz JQVQEIKXHNSGDN-GLQYFDAESA-N 2 1 344.425 3.340 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000352966579 141279245 /nfs/dbraw/zinc/27/92/45/141279245.db2.gz JQVQEIKXHNSGDN-GLQYFDAESA-N 2 1 344.425 3.340 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@@H](C)[C@@H]2C)cc1)C(C)C ZINC000356848069 141353772 /nfs/dbraw/zinc/35/37/72/141353772.db2.gz KNBHSJDBJZPLFK-IRXDYDNUSA-N 2 1 331.504 3.082 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1)C(C)C ZINC000356848069 141353773 /nfs/dbraw/zinc/35/37/73/141353773.db2.gz KNBHSJDBJZPLFK-IRXDYDNUSA-N 2 1 331.504 3.082 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000178410389 144070861 /nfs/dbraw/zinc/07/08/61/144070861.db2.gz UYPZXSIXBXETBJ-KRWDZBQOSA-N 2 1 329.488 3.340 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCCCC2)cc1 ZINC000178464734 144072371 /nfs/dbraw/zinc/07/23/71/144072371.db2.gz NKONLUKIPXYZAU-JKSUJKDBSA-N 2 1 340.471 3.232 20 0 EGADMP Cc1ccccc1C1CC([N@@H+](C[C@@H](O)CN(C)C2CC2)C2CC2)C1 ZINC000351514335 144272320 /nfs/dbraw/zinc/27/23/20/144272320.db2.gz OMAZFHRJCPXWTP-GQOXECLESA-N 2 1 328.500 3.161 20 0 EGADMP Cc1ccccc1C1CC([NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C2CC2)C1 ZINC000351514335 144272322 /nfs/dbraw/zinc/27/23/22/144272322.db2.gz OMAZFHRJCPXWTP-GQOXECLESA-N 2 1 328.500 3.161 20 0 EGADMP Cc1ccccc1C1CC([N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C2CC2)C1 ZINC000351514335 144272328 /nfs/dbraw/zinc/27/23/28/144272328.db2.gz OMAZFHRJCPXWTP-GQOXECLESA-N 2 1 328.500 3.161 20 0 EGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363925554 144376681 /nfs/dbraw/zinc/37/66/81/144376681.db2.gz UGLFORZXBBHECO-COXVUDFISA-N 2 1 335.879 3.274 20 0 EGADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)NC1CCC(C)CC1 ZINC000116395883 152058556 /nfs/dbraw/zinc/05/85/56/152058556.db2.gz MNONECKEQZIAKO-MYBQVCMBSA-N 2 1 325.541 3.026 20 0 EGADMP C[N@@H+](CCc1cccc(NC(=O)c2ccc3nccn3c2)c1)C1CC1 ZINC000341533391 155338600 /nfs/dbraw/zinc/33/86/00/155338600.db2.gz PFIUEDLSKFBTLG-UHFFFAOYSA-N 2 1 334.423 3.223 20 0 EGADMP C[NH+](C)CCC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000119272241 152188629 /nfs/dbraw/zinc/18/86/29/152188629.db2.gz GHJGUMIOSSKGBX-UHFFFAOYSA-N 2 1 347.894 3.084 20 0 EGADMP CC(C)N(C)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000191449038 153198583 /nfs/dbraw/zinc/19/85/83/153198583.db2.gz UZGZQISRSCVGIT-UYAOXDASSA-N 2 1 342.531 3.375 20 0 EGADMP CC(=O)Nc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192917672 153265895 /nfs/dbraw/zinc/26/58/95/153265895.db2.gz KMVKEKNGUYOKBX-FQEVSTJZSA-N 2 1 337.467 3.257 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000305145564 154086517 /nfs/dbraw/zinc/08/65/17/154086517.db2.gz RQPGDAPRHVIITR-NVXWUHKLSA-N 2 1 338.492 3.189 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(CO)c1 ZINC000305676050 154101823 /nfs/dbraw/zinc/10/18/23/154101823.db2.gz ZWYRRZASWURRCA-WIYYLYMNSA-N 2 1 338.495 3.394 20 0 EGADMP CCOC(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)OCC ZINC000310930731 154145416 /nfs/dbraw/zinc/14/54/16/154145416.db2.gz FCOAUIHBIFREAY-UHFFFAOYSA-N 2 1 346.515 3.374 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000337382134 154322341 /nfs/dbraw/zinc/32/23/41/154322341.db2.gz JQEAFFDOXHVLMO-JKSUJKDBSA-N 2 1 332.488 3.017 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000341058504 155130877 /nfs/dbraw/zinc/13/08/77/155130877.db2.gz VRUQWKPQJZPDGY-GOSISDBHSA-N 2 1 345.531 3.007 20 0 EGADMP CC[C@@H](C)C[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000341058504 155130879 /nfs/dbraw/zinc/13/08/79/155130879.db2.gz VRUQWKPQJZPDGY-GOSISDBHSA-N 2 1 345.531 3.007 20 0 EGADMP CC[C@@H](C)C[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000341058504 155130880 /nfs/dbraw/zinc/13/08/80/155130880.db2.gz VRUQWKPQJZPDGY-GOSISDBHSA-N 2 1 345.531 3.007 20 0 EGADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(-c2ccccc2Cl)n1 ZINC000346823009 156152657 /nfs/dbraw/zinc/15/26/57/156152657.db2.gz JTGXXJFQEMWRMO-FDQGKXFDSA-N 2 1 344.890 3.300 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OCC(C)C ZINC000346859409 156166397 /nfs/dbraw/zinc/16/63/97/156166397.db2.gz YKZRFEPANFTNBQ-RCCFBDPRSA-N 2 1 332.488 3.289 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(OC)cc(C)n1 ZINC000349008435 156316751 /nfs/dbraw/zinc/31/67/51/156316751.db2.gz OQKMLQLQXUFSJC-UHFFFAOYSA-N 2 1 327.472 3.482 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000349091585 156352450 /nfs/dbraw/zinc/35/24/50/156352450.db2.gz YNLRMNZVPXXDTA-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@H](c3nccn3C)C2)c1 ZINC000365627944 157196298 /nfs/dbraw/zinc/19/62/98/157196298.db2.gz KWENEGJUNREOLT-AWEZNQCLSA-N 2 1 347.846 3.240 20 0 EGADMP COC(=O)c1ccc(Cl)c(CN2CCC[C@H](c3nccn3C)C2)c1 ZINC000365627944 157196301 /nfs/dbraw/zinc/19/63/01/157196301.db2.gz KWENEGJUNREOLT-AWEZNQCLSA-N 2 1 347.846 3.240 20 0 EGADMP Cc1ncsc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000093844430 162029503 /nfs/dbraw/zinc/02/95/03/162029503.db2.gz XGXCTFAWASEXHQ-GASCZTMLSA-N 2 1 337.533 3.163 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](SC)C2)[C@H](C)C1 ZINC000129293486 162352663 /nfs/dbraw/zinc/35/26/63/162352663.db2.gz HBIRCTAJMJCFQW-BDXSIMOUSA-N 2 1 328.566 3.387 20 0 EGADMP CCOC(=O)CCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248397443 163000571 /nfs/dbraw/zinc/00/05/71/163000571.db2.gz LRPMZUDNLSMKPM-YRWFTTLQSA-N 2 1 332.488 3.076 20 0 EGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000248430300 163004171 /nfs/dbraw/zinc/00/41/71/163004171.db2.gz BPECLKVHGCYJAN-IXDOHACOSA-N 2 1 347.503 3.185 20 0 EGADMP Cc1cncc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000248700859 163029152 /nfs/dbraw/zinc/02/91/52/163029152.db2.gz GARDEFKBVJJMGF-ZWKOTPCHSA-N 2 1 339.483 3.462 20 0 EGADMP Cc1cncc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000248700859 163029155 /nfs/dbraw/zinc/02/91/55/163029155.db2.gz GARDEFKBVJJMGF-ZWKOTPCHSA-N 2 1 339.483 3.462 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2C[C@H]4OCCC[C@@H]24)C3)cc1 ZINC000248763267 163032946 /nfs/dbraw/zinc/03/29/46/163032946.db2.gz DYDOFXQXTQPGHK-NXMWLWCLSA-N 2 1 326.484 3.339 20 0 EGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000248919916 163046886 /nfs/dbraw/zinc/04/68/86/163046886.db2.gz DYLLAMQNOFIDDX-HBMCJLEFSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000248919916 163046892 /nfs/dbraw/zinc/04/68/92/163046892.db2.gz DYLLAMQNOFIDDX-HBMCJLEFSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000248919916 163046895 /nfs/dbraw/zinc/04/68/95/163046895.db2.gz DYLLAMQNOFIDDX-HBMCJLEFSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000178410400 287024418 /nfs/dbraw/zinc/02/44/18/287024418.db2.gz UYPZXSIXBXETBJ-QGZVFWFLSA-N 2 1 329.488 3.340 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c(F)c1 ZINC000343975841 164076116 /nfs/dbraw/zinc/07/61/16/164076116.db2.gz HIAWQANBGBZCAN-CQSZACIVSA-N 2 1 347.434 3.021 20 0 EGADMP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1sccc1Cl ZINC000344115746 164106484 /nfs/dbraw/zinc/10/64/84/164106484.db2.gz ADKFQCPRZCAEFK-UHFFFAOYSA-N 2 1 329.941 3.251 20 0 EGADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1sccc1Cl ZINC000344115746 164106486 /nfs/dbraw/zinc/10/64/86/164106486.db2.gz ADKFQCPRZCAEFK-UHFFFAOYSA-N 2 1 329.941 3.251 20 0 EGADMP O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000345849488 164278988 /nfs/dbraw/zinc/27/89/88/164278988.db2.gz MNPDYKQNJISBFH-FQEVSTJZSA-N 2 1 343.515 3.080 20 0 EGADMP CC[NH+](CC)CCCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000346121167 164342017 /nfs/dbraw/zinc/34/20/17/164342017.db2.gz FCAPRWCAWXVMOX-HXUWFJFHSA-N 2 1 345.531 3.279 20 0 EGADMP Cc1nccn1CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000346169645 164355788 /nfs/dbraw/zinc/35/57/88/164355788.db2.gz DIOIYSQYDLBAHB-UHFFFAOYSA-N 2 1 338.499 3.180 20 0 EGADMP Cc1[nH+]ccn1CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000346169645 164355789 /nfs/dbraw/zinc/35/57/89/164355789.db2.gz DIOIYSQYDLBAHB-UHFFFAOYSA-N 3 1 338.499 3.180 20 0 EGADMP Cc1[nH+]ccn1CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000346169645 164355790 /nfs/dbraw/zinc/35/57/90/164355790.db2.gz DIOIYSQYDLBAHB-UHFFFAOYSA-N 3 1 338.499 3.180 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000350180522 165016763 /nfs/dbraw/zinc/01/67/63/165016763.db2.gz GBGHEPWCWPQJOU-GDBMZVCRSA-N 2 1 326.431 3.459 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C)[NH+](C)C[C@@H]2C)cc1)C(C)C ZINC000352012474 165191905 /nfs/dbraw/zinc/19/19/05/165191905.db2.gz FOAUAUDTSBQIMU-IRXDYDNUSA-N 2 1 331.504 3.082 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1)C(C)C ZINC000352012474 165191908 /nfs/dbraw/zinc/19/19/08/165191908.db2.gz FOAUAUDTSBQIMU-IRXDYDNUSA-N 2 1 331.504 3.082 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1)C(C)C ZINC000352012474 165191911 /nfs/dbraw/zinc/19/19/11/165191911.db2.gz FOAUAUDTSBQIMU-IRXDYDNUSA-N 2 1 331.504 3.082 20 0 EGADMP COc1c(O)cccc1CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355212237 166135173 /nfs/dbraw/zinc/13/51/73/166135173.db2.gz IETMYZBISWYHTP-KRWDZBQOSA-N 2 1 326.440 3.013 20 0 EGADMP COc1c(O)cccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355212237 166135174 /nfs/dbraw/zinc/13/51/74/166135174.db2.gz IETMYZBISWYHTP-KRWDZBQOSA-N 2 1 326.440 3.013 20 0 EGADMP COc1c(O)cccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355212237 166135177 /nfs/dbraw/zinc/13/51/77/166135177.db2.gz IETMYZBISWYHTP-KRWDZBQOSA-N 2 1 326.440 3.013 20 0 EGADMP C[S@@](=O)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000355228346 166141804 /nfs/dbraw/zinc/14/18/04/166141804.db2.gz UZXHICUBYJLTIH-NTKDMRAZSA-N 2 1 342.508 3.036 20 0 EGADMP C[S@@](=O)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000355228349 166141978 /nfs/dbraw/zinc/14/19/78/166141978.db2.gz UZXHICUBYJLTIH-YADARESESA-N 2 1 342.508 3.036 20 0 EGADMP CC(C)[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(C)C ZINC000355366146 166175724 /nfs/dbraw/zinc/17/57/24/166175724.db2.gz GUCPDEFLHVDROT-FQEVSTJZSA-N 2 1 345.531 3.276 20 0 EGADMP Cc1[nH+]ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1Cl ZINC000355684011 166282681 /nfs/dbraw/zinc/28/26/81/166282681.db2.gz OLLVHWLAVFAAFV-QGZVFWFLSA-N 2 1 345.874 3.168 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000359120656 167073245 /nfs/dbraw/zinc/07/32/45/167073245.db2.gz YYNGYXQBJMWGQB-VQIMIIECSA-N 2 1 325.456 3.233 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000359120656 167073246 /nfs/dbraw/zinc/07/32/46/167073246.db2.gz YYNGYXQBJMWGQB-VQIMIIECSA-N 2 1 325.456 3.233 20 0 EGADMP CC[C@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C ZINC000359176577 167088565 /nfs/dbraw/zinc/08/85/65/167088565.db2.gz OKKZWSKUTMGBEZ-QFBILLFUSA-N 2 1 331.504 3.017 20 0 EGADMP CC[C@@H](C)[N@@H+](CCC1CC[NH2+]CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000359199707 167093525 /nfs/dbraw/zinc/09/35/25/167093525.db2.gz DXRCUKJLULGJFZ-OAHLLOKOSA-N 2 1 342.487 3.326 20 0 EGADMP COC(=O)c1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)[nH]1 ZINC000359221719 167099523 /nfs/dbraw/zinc/09/95/23/167099523.db2.gz HYZGSLFAFQWJGC-INIZCTEOSA-N 2 1 347.503 3.278 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(F)cn1 ZINC000359224528 167101112 /nfs/dbraw/zinc/10/11/12/167101112.db2.gz FAYMTGYWIJKIDC-KXBFYZLASA-N 2 1 343.446 3.028 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(F)cn1 ZINC000359224528 167101114 /nfs/dbraw/zinc/10/11/14/167101114.db2.gz FAYMTGYWIJKIDC-KXBFYZLASA-N 2 1 343.446 3.028 20 0 EGADMP C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000360501582 167343777 /nfs/dbraw/zinc/34/37/77/167343777.db2.gz UPQORWKABPTJLZ-QGZVFWFLSA-N 2 1 345.531 3.295 20 0 EGADMP C[C@@H](NC1CC[NH+](C2CCC2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000360501582 167343779 /nfs/dbraw/zinc/34/37/79/167343779.db2.gz UPQORWKABPTJLZ-QGZVFWFLSA-N 2 1 345.531 3.295 20 0 EGADMP Clc1ccc(-n2cc(C[N@H+]3CCC[C@H](c4ncc[nH]4)C3)nn2)cc1 ZINC000365964298 168065507 /nfs/dbraw/zinc/06/55/07/168065507.db2.gz BRAZKNNAUAVEDV-ZDUSSCGKSA-N 2 1 342.834 3.023 20 0 EGADMP Clc1ccc(-n2cc(CN3CCC[C@H](c4[nH]cc[nH+]4)C3)nn2)cc1 ZINC000365964298 168065508 /nfs/dbraw/zinc/06/55/08/168065508.db2.gz BRAZKNNAUAVEDV-ZDUSSCGKSA-N 2 1 342.834 3.023 20 0 EGADMP FC(F)Cn1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000366422914 168119875 /nfs/dbraw/zinc/11/98/75/168119875.db2.gz OQBPYHRKJKOYIG-UHFFFAOYSA-N 2 1 326.435 3.035 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)Nc3ccc(Cl)cc3)C2)CC1 ZINC000366878499 168152070 /nfs/dbraw/zinc/15/20/70/168152070.db2.gz FKPDXSLLEXQFCD-UHFFFAOYSA-N 2 1 335.879 3.086 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000367058496 168174385 /nfs/dbraw/zinc/17/43/85/168174385.db2.gz ULBXMEXIIUFJMI-CTNGQTDRSA-N 2 1 344.547 3.115 20 0 EGADMP CC1CCC(N(C(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)CC1 ZINC000367588539 168245530 /nfs/dbraw/zinc/24/55/30/168245530.db2.gz WXRHHTSGQNWRGZ-XJFWBRLCSA-N 2 1 347.547 3.113 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(-c2cccs2)n1 ZINC000367681499 168258391 /nfs/dbraw/zinc/25/83/91/168258391.db2.gz CJYJZPGOAAMPKL-INIZCTEOSA-N 2 1 344.528 3.312 20 0 EGADMP C[C@H]1C[C@H]([N@@H+](C)CCOc2ccc(OC(F)(F)F)cc2)CCN1C ZINC000174173399 265029103 /nfs/dbraw/zinc/02/91/03/265029103.db2.gz JUSXRUKGYZQUSM-UONOGXRCSA-N 2 1 346.393 3.379 20 0 EGADMP C[C@H]1C[C@H]([NH+](C)CCOc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000174173399 265029106 /nfs/dbraw/zinc/02/91/06/265029106.db2.gz JUSXRUKGYZQUSM-UONOGXRCSA-N 2 1 346.393 3.379 20 0 EGADMP C[C@H]1C[C@H]([NH+](C)CCOc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000174173399 265029111 /nfs/dbraw/zinc/02/91/11/265029111.db2.gz JUSXRUKGYZQUSM-UONOGXRCSA-N 2 1 346.393 3.379 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3occc32)C1 ZINC000193277655 266021164 /nfs/dbraw/zinc/02/11/64/266021164.db2.gz DJUKNPPZUFIKOL-HKUYNNGSSA-N 2 1 326.440 3.013 20 0 EGADMP COc1ncccc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000193466331 266034810 /nfs/dbraw/zinc/03/48/10/266034810.db2.gz PPHILHZCYIPNAN-UHFFFAOYSA-N 2 1 340.471 3.224 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000269680685 266340189 /nfs/dbraw/zinc/34/01/89/266340189.db2.gz DRTIEGJFBCPSRB-HXUWFJFHSA-N 2 1 327.472 3.344 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000269680685 266340192 /nfs/dbraw/zinc/34/01/92/266340192.db2.gz DRTIEGJFBCPSRB-HXUWFJFHSA-N 2 1 327.472 3.344 20 0 EGADMP C[C@H](CO)CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272633986 266886231 /nfs/dbraw/zinc/88/62/31/266886231.db2.gz BJYXKMCRMNAHLK-MJUUVYJYSA-N 2 1 330.516 3.285 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000274128108 267186115 /nfs/dbraw/zinc/18/61/15/267186115.db2.gz XZFGQTSWZKNZRN-QZTJIDSGSA-N 3 1 340.515 3.328 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274726673 267277687 /nfs/dbraw/zinc/27/76/87/267277687.db2.gz ARZQADIGNORHDD-LLUDDFSJSA-N 2 1 328.500 3.444 20 0 EGADMP Cc1cc(C)n(CCC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000274967434 267312690 /nfs/dbraw/zinc/31/26/90/267312690.db2.gz XPUNOALJBCXEOT-PZJWPPBQSA-N 2 1 340.515 3.390 20 0 EGADMP C[C@@H]([NH2+]CCCNc1ccccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274974823 267314024 /nfs/dbraw/zinc/31/40/24/267314024.db2.gz YLMHNZOONYRMJL-UYAOXDASSA-N 2 1 338.499 3.384 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278508216 268028888 /nfs/dbraw/zinc/02/88/88/268028888.db2.gz REJKRUFLZMEVEV-PBEJRMEISA-N 2 1 342.458 3.359 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000181358387 275206398 /nfs/dbraw/zinc/20/63/98/275206398.db2.gz RFZNMQLXMFNLDS-XJKCOSOUSA-N 2 1 340.309 3.179 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccccc2SC)CC1 ZINC000194849237 275228029 /nfs/dbraw/zinc/22/80/29/275228029.db2.gz NKILYEKBOCRCJW-KRWDZBQOSA-N 2 1 335.561 3.477 20 0 EGADMP C[C@H](C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000262670738 275233029 /nfs/dbraw/zinc/23/30/29/275233029.db2.gz RLIXJPPIPBIJLG-LNLFQRSKSA-N 2 1 331.504 3.093 20 0 EGADMP Cc1ccc([C@H](O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278926998 275288368 /nfs/dbraw/zinc/28/83/68/275288368.db2.gz SGCARSCOLNTCQK-HXUWFJFHSA-N 2 1 339.483 3.441 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000279674690 275348908 /nfs/dbraw/zinc/34/89/08/275348908.db2.gz FWYDAKVXVQKGIQ-NRFANRHFSA-N 2 1 337.467 3.270 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000279674690 275348910 /nfs/dbraw/zinc/34/89/10/275348910.db2.gz FWYDAKVXVQKGIQ-NRFANRHFSA-N 2 1 337.467 3.270 20 0 EGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000280046711 275396763 /nfs/dbraw/zinc/39/67/63/275396763.db2.gz XGFWAEJHNQKOGZ-OAGGEKHMSA-N 2 1 343.471 3.245 20 0 EGADMP FC(F)C1CCC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000281623554 275563659 /nfs/dbraw/zinc/56/36/59/275563659.db2.gz CLEWOPVCTMKVRU-UHFFFAOYSA-N 2 1 338.442 3.432 20 0 EGADMP CC[NH+](CC)CC(=O)Nc1cccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000287100364 276083571 /nfs/dbraw/zinc/08/35/71/276083571.db2.gz QALQSXUIMSPWRL-OALUTQOASA-N 2 1 344.503 3.006 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287287931 276104671 /nfs/dbraw/zinc/10/46/71/276104671.db2.gz BVAJYEALCJGTKY-QZTJIDSGSA-N 2 1 341.503 3.286 20 0 EGADMP Cc1ccnc(C)c1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000287492749 276124761 /nfs/dbraw/zinc/12/47/61/276124761.db2.gz KYEVOQVGGUNOTL-RDJZCZTQSA-N 2 1 328.460 3.179 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(COCCOC)cc1 ZINC000289475251 276344577 /nfs/dbraw/zinc/34/45/77/276344577.db2.gz PWBMNBJULSKANX-UHFFFAOYSA-N 2 1 334.504 3.157 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2nccc3ccccc32)CC1 ZINC000289538305 276354736 /nfs/dbraw/zinc/35/47/36/276354736.db2.gz BMWLAXBSINQBHD-SFHVURJKSA-N 2 1 340.515 3.303 20 0 EGADMP COC(=O)COc1ccc(C[N@@H+](C)CCCc2cnccc2C)cc1 ZINC000289620583 276367326 /nfs/dbraw/zinc/36/73/26/276367326.db2.gz JWBOSQWROAGMJO-UHFFFAOYSA-N 2 1 342.439 3.006 20 0 EGADMP COC1(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000289748981 276387656 /nfs/dbraw/zinc/38/76/56/276387656.db2.gz IATGAJZFEXEOEC-FQEVSTJZSA-N 2 1 346.515 3.074 20 0 EGADMP COCCOCc1ccc(C[NH2+]CCC[NH+](C(C)C)C(C)C)cc1 ZINC000289826740 276401511 /nfs/dbraw/zinc/40/15/11/276401511.db2.gz SXMRAAATCAXRSI-UHFFFAOYSA-N 2 1 336.520 3.448 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000374325432 277038429 /nfs/dbraw/zinc/03/84/29/277038429.db2.gz PHBJVEDUQLWCBW-UHFFFAOYSA-N 2 1 336.863 3.171 20 0 EGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000374325432 277038430 /nfs/dbraw/zinc/03/84/30/277038430.db2.gz PHBJVEDUQLWCBW-UHFFFAOYSA-N 2 1 336.863 3.171 20 0 EGADMP C[C@H](C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000359118306 278151435 /nfs/dbraw/zinc/15/14/35/278151435.db2.gz VFPRHYUBDKLTIS-RMJJICAUSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000359118306 278151437 /nfs/dbraw/zinc/15/14/37/278151437.db2.gz VFPRHYUBDKLTIS-RMJJICAUSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000359118306 278151441 /nfs/dbraw/zinc/15/14/41/278151441.db2.gz VFPRHYUBDKLTIS-RMJJICAUSA-N 2 1 343.515 3.029 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[NH2+][C@@H]1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000342693740 279006672 /nfs/dbraw/zinc/00/66/72/279006672.db2.gz MVNGMTLIGJDDKC-LCLWPZTBSA-N 2 1 343.515 3.059 20 0 EGADMP CC[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1)C1CC1 ZINC000051688379 279055620 /nfs/dbraw/zinc/05/56/20/279055620.db2.gz JRJBJVZMSCRFOL-KRWDZBQOSA-N 2 1 343.515 3.019 20 0 EGADMP CC[NH+](CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000051688379 279055621 /nfs/dbraw/zinc/05/56/21/279055621.db2.gz JRJBJVZMSCRFOL-KRWDZBQOSA-N 2 1 343.515 3.019 20 0 EGADMP CC[NH+](CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000051688379 279055622 /nfs/dbraw/zinc/05/56/22/279055622.db2.gz JRJBJVZMSCRFOL-KRWDZBQOSA-N 2 1 343.515 3.019 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000303240876 279153476 /nfs/dbraw/zinc/15/34/76/279153476.db2.gz JOGBCOHQMNIEQH-ICSRJNTNSA-N 2 1 345.531 3.450 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccsc1 ZINC000355410745 279162294 /nfs/dbraw/zinc/16/22/94/279162294.db2.gz RLPLAZUQZIJEKB-HLLBOEOZSA-N 2 1 337.533 3.120 20 0 EGADMP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000263219953 279168263 /nfs/dbraw/zinc/16/82/63/279168263.db2.gz LSEHSKLVRNLBOJ-UYAOXDASSA-N 2 1 335.536 3.009 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000236680499 282071572 /nfs/dbraw/zinc/07/15/72/282071572.db2.gz KXQIAWRMMPWUMJ-ZBFHGGJFSA-N 2 1 337.533 3.012 20 0 EGADMP CN(CC[NH+](C)C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000078462280 289129418 /nfs/dbraw/zinc/12/94/18/289129418.db2.gz BFGDHXSPLIYDBK-UHFFFAOYSA-N 2 1 346.519 3.476 20 0 EGADMP COc1ccc2oc([C@H](C)[NH2+][C@@H](C)CN3CC[NH+](C)CC3)c(C)c2c1 ZINC000361219867 295280639 /nfs/dbraw/zinc/28/06/39/295280639.db2.gz HHGRPPZGVRYQBV-HOCLYGCPSA-N 2 1 345.487 3.036 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000414112290 309061472 /nfs/dbraw/zinc/06/14/72/309061472.db2.gz XTAPXSDSBMNUCB-AOIWGVFYSA-N 2 1 326.488 3.371 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248611328 308007110 /nfs/dbraw/zinc/00/71/10/308007110.db2.gz XSWVNMNUYMVVPG-LFDJNIOPSA-N 2 1 349.563 3.407 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248611328 308007112 /nfs/dbraw/zinc/00/71/12/308007112.db2.gz XSWVNMNUYMVVPG-LFDJNIOPSA-N 2 1 349.563 3.407 20 0 EGADMP COc1ccsc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000248638266 308008002 /nfs/dbraw/zinc/00/80/02/308008002.db2.gz METHFWYVLLTFRA-CWRNSKLLSA-N 2 1 338.517 3.175 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000292854666 308072972 /nfs/dbraw/zinc/07/29/72/308072972.db2.gz AEFDKNBOLFDHQD-UHFFFAOYSA-N 2 1 331.435 3.102 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000293670361 308151659 /nfs/dbraw/zinc/15/16/59/308151659.db2.gz JSYSGRMKLZBCGM-LJQANCHMSA-N 2 1 336.907 3.362 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295136422 308295497 /nfs/dbraw/zinc/29/54/97/308295497.db2.gz ZBWHVVFTWJKNIQ-MIGBEJBISA-N 2 1 329.488 3.181 20 0 EGADMP CCOc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])ccc1OCC(F)(F)F ZINC000414657895 309093931 /nfs/dbraw/zinc/09/39/31/309093931.db2.gz IIWBMSMGTXWKTN-UHFFFAOYSA-N 2 1 348.409 3.443 20 0 EGADMP C[C@H]1C[C@@H](C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000414695577 309095814 /nfs/dbraw/zinc/09/58/14/309095814.db2.gz PCZSSELIUOBRPX-RXVVDRJESA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)CC[NH2+]1 ZINC000414694919 309095869 /nfs/dbraw/zinc/09/58/69/309095869.db2.gz TYDVUUUBPLKMMJ-CVEARBPZSA-N 2 1 344.478 3.468 20 0 EGADMP C[NH2+][C@H]1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000414714945 309096957 /nfs/dbraw/zinc/09/69/57/309096957.db2.gz QTKJXZZEPQOTLC-KRWDZBQOSA-N 2 1 344.503 3.277 20 0 EGADMP CC(C)c1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414716326 309097049 /nfs/dbraw/zinc/09/70/49/309097049.db2.gz ZUVHXVSNZSYLMU-PXNSSMCTSA-N 2 1 343.515 3.144 20 0 EGADMP COc1ccc(Br)cc1C[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414675228 309094989 /nfs/dbraw/zinc/09/49/89/309094989.db2.gz FLRTXSSQNCDYRM-OLZOCXBDSA-N 2 1 341.293 3.278 20 0 EGADMP CCCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000414677536 309095064 /nfs/dbraw/zinc/09/50/64/309095064.db2.gz WPCCCTBJHJNEAW-KSZLIROESA-N 2 1 332.488 3.433 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)N1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000414718114 309097218 /nfs/dbraw/zinc/09/72/18/309097218.db2.gz VHVLCIOMSVMBJA-QGZVFWFLSA-N 2 1 344.503 3.406 20 0 EGADMP COc1ccc(Br)c(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414752462 309098858 /nfs/dbraw/zinc/09/88/58/309098858.db2.gz KSZJHGHPOVDGMD-OLZOCXBDSA-N 2 1 341.293 3.278 20 0 EGADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772003 309100054 /nfs/dbraw/zinc/10/00/54/309100054.db2.gz BBMCACYQOBHPCD-KGLIPLIRSA-N 2 1 332.879 3.048 20 0 EGADMP FC(F)(F)COc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414769705 309099811 /nfs/dbraw/zinc/09/98/11/309099811.db2.gz NODULXPKJRPLFL-GASCZTMLSA-N 2 1 328.378 3.059 20 0 EGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414775133 309100102 /nfs/dbraw/zinc/10/01/02/309100102.db2.gz GFXGMFVAIWGKCN-MRXNPFEDSA-N 2 1 342.405 3.201 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414773257 309100187 /nfs/dbraw/zinc/10/01/87/309100187.db2.gz WXSIKURHXYKAOE-IYBDPMFKSA-N 2 1 344.890 3.266 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2csc(Cl)c2Cl)CC1 ZINC000414778500 309100503 /nfs/dbraw/zinc/10/05/03/309100503.db2.gz QFBFFKRIGDEFRV-YPMHNXCESA-N 2 1 335.300 3.383 20 0 EGADMP c1sc(-c2ccccn2)nc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784229 309101017 /nfs/dbraw/zinc/10/10/17/309101017.db2.gz QZADKGXRIBGSDG-HUUCEWRRSA-N 2 1 328.485 3.027 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000414797635 309102068 /nfs/dbraw/zinc/10/20/68/309102068.db2.gz YQMOAPQRHGJRFR-CVEARBPZSA-N 2 1 329.271 3.322 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414832429 309104459 /nfs/dbraw/zinc/10/44/59/309104459.db2.gz QLWHJSJSGOKPBG-OAHLLOKOSA-N 2 1 332.879 3.232 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412003874 308961800 /nfs/dbraw/zinc/96/18/00/308961800.db2.gz BGNPWHMIWFFRTD-LJQANCHMSA-N 2 1 327.472 3.465 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+]CC2([NH3+])CCCCC2)cc1OC ZINC000414849447 309105466 /nfs/dbraw/zinc/10/54/66/309105466.db2.gz XNEUGWVNEQNQHI-UHFFFAOYSA-N 2 1 326.868 3.499 20 0 EGADMP CCOc1c(OC)cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1OC ZINC000414856798 309106046 /nfs/dbraw/zinc/10/60/46/309106046.db2.gz ZQBVAZASKBQNRW-INIZCTEOSA-N 2 1 336.476 3.100 20 0 EGADMP [NH3+]C1(C[NH2+]Cc2ccc(Br)c(Br)c2)CCC1 ZINC000414876084 309106745 /nfs/dbraw/zinc/10/67/45/309106745.db2.gz CWXQBGIQOGFLAR-UHFFFAOYSA-N 2 1 348.082 3.183 20 0 EGADMP Cc1ccc(-c2ncc(C[NH2+]CCC[NH2+]Cc3cccnc3)s2)o1 ZINC000414879529 309107039 /nfs/dbraw/zinc/10/70/39/309107039.db2.gz OYGFJJBMDWTLAX-UHFFFAOYSA-N 2 1 342.468 3.376 20 0 EGADMP [NH3+][C@H](C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000414894872 309107935 /nfs/dbraw/zinc/10/79/35/309107935.db2.gz UUUITNKPKMEBKE-GFCCVEGCSA-N 2 1 337.183 3.295 20 0 EGADMP [NH3+][C@H](C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1)C1CC1 ZINC000414896599 309108122 /nfs/dbraw/zinc/10/81/22/309108122.db2.gz POGCXXUTMJVEMB-GFCCVEGCSA-N 2 1 337.183 3.295 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC[NH2+]1 ZINC000414950946 309110971 /nfs/dbraw/zinc/11/09/71/309110971.db2.gz PGBGNGUYXOSBBZ-KOLCDFICSA-N 2 1 349.219 3.281 20 0 EGADMP CSc1cc2c(cc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)OCCO2 ZINC000415057422 309117284 /nfs/dbraw/zinc/11/72/84/309117284.db2.gz UDLYCAPFIBCEBQ-HOCLYGCPSA-N 2 1 348.512 3.144 20 0 EGADMP CSc1cc2c(cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)OCCO2 ZINC000415057422 309117285 /nfs/dbraw/zinc/11/72/85/309117285.db2.gz UDLYCAPFIBCEBQ-HOCLYGCPSA-N 2 1 348.512 3.144 20 0 EGADMP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415104470 309120552 /nfs/dbraw/zinc/12/05/52/309120552.db2.gz GZDMCTDVEYEWMQ-LJQANCHMSA-N 2 1 340.467 3.220 20 0 EGADMP COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415104470 309120553 /nfs/dbraw/zinc/12/05/53/309120553.db2.gz GZDMCTDVEYEWMQ-LJQANCHMSA-N 2 1 340.467 3.220 20 0 EGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3c(F)cccc3Cl)CC2)C1 ZINC000415118470 309121543 /nfs/dbraw/zinc/12/15/43/309121543.db2.gz DHIVJWMWIKVXQY-GUYCJALGSA-N 2 1 326.843 3.197 20 0 EGADMP Cc1cc(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)cn2cc[nH+]c12 ZINC000415756145 309143270 /nfs/dbraw/zinc/14/32/70/309143270.db2.gz LDJICXRYIUSJHQ-QGZVFWFLSA-N 2 1 337.427 3.244 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416181803 309162627 /nfs/dbraw/zinc/16/26/27/309162627.db2.gz TULUNGVIVJAZAJ-UYAOXDASSA-N 2 1 345.531 3.164 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)n(C)n1 ZINC000417868548 309225967 /nfs/dbraw/zinc/22/59/67/309225967.db2.gz KFXDSBGDBKKGQC-MRXNPFEDSA-N 2 1 326.488 3.250 20 0 EGADMP C[NH2+]C[C@@H](C)CNc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000420216083 309277396 /nfs/dbraw/zinc/27/73/96/309277396.db2.gz WRJUYUOUEATJRE-GFCCVEGCSA-N 2 1 347.532 3.171 20 0 EGADMP COc1cc(C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)c(SC)cc1OC ZINC000420298849 309280104 /nfs/dbraw/zinc/28/01/04/309280104.db2.gz IANQYZKRSIPDLH-CQSZACIVSA-N 2 1 338.517 3.247 20 0 EGADMP C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@@H]1CCC[NH2+]C1 ZINC000420317158 309281512 /nfs/dbraw/zinc/28/15/12/309281512.db2.gz NLNMALVUVWVBJF-INIZCTEOSA-N 2 1 344.478 3.470 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420316820 309281646 /nfs/dbraw/zinc/28/16/46/309281646.db2.gz YNXSJTSWIBBWOQ-DUVNUKRYSA-N 2 1 344.480 3.247 20 0 EGADMP CC[C@H](C)[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000420318287 309281791 /nfs/dbraw/zinc/28/17/91/309281791.db2.gz OILINXJOFLKCOH-JKSUJKDBSA-N 2 1 342.487 3.326 20 0 EGADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000420331116 309282478 /nfs/dbraw/zinc/28/24/78/309282478.db2.gz BOAZGKKXQRSGPU-ZWKOTPCHSA-N 2 1 337.467 3.100 20 0 EGADMP Fc1cc(Br)cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420329796 309282661 /nfs/dbraw/zinc/28/26/61/309282661.db2.gz OZEXTNAGLONHSI-UONOGXRCSA-N 2 1 341.268 3.410 20 0 EGADMP Cc1ccc(SCC[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1C ZINC000420328915 309282693 /nfs/dbraw/zinc/28/26/93/309282693.db2.gz NLQNILNXYURTPN-KRWDZBQOSA-N 2 1 334.529 3.083 20 0 EGADMP C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)[C@H](C[NH3+])C1 ZINC000420331671 309282765 /nfs/dbraw/zinc/28/27/65/309282765.db2.gz IRKVWZGIRVSKSA-WBVHZDCISA-N 2 1 325.456 3.228 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)[C@H](C[NH3+])C1 ZINC000420331671 309282766 /nfs/dbraw/zinc/28/27/66/309282766.db2.gz IRKVWZGIRVSKSA-WBVHZDCISA-N 2 1 325.456 3.228 20 0 EGADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332713 309282878 /nfs/dbraw/zinc/28/28/78/309282878.db2.gz SEHZPHKJLNSVCF-RDBSUJKOSA-N 2 1 332.473 3.181 20 0 EGADMP Fc1cccc(F)c1-n1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000420337500 309283098 /nfs/dbraw/zinc/28/30/98/309283098.db2.gz NPFMLFMBYHKEII-SFHVURJKSA-N 2 1 346.425 3.115 20 0 EGADMP Fc1ccc(-c2cc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000420338400 309283185 /nfs/dbraw/zinc/28/31/85/309283185.db2.gz XXRIUGMJGIHDMY-JKSUJKDBSA-N 2 1 329.419 3.302 20 0 EGADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420343821 309283377 /nfs/dbraw/zinc/28/33/77/309283377.db2.gz RMRGNCSBPVUBKU-OIISXLGYSA-N 2 1 326.444 3.119 20 0 EGADMP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345030 309283512 /nfs/dbraw/zinc/28/35/12/309283512.db2.gz UVWLTTXAMDXFPW-ZVDOUQERSA-N 2 1 349.478 3.298 20 0 EGADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420346850 309283606 /nfs/dbraw/zinc/28/36/06/309283606.db2.gz ZGTXZTQFGJUIPM-BBWFWOEESA-N 2 1 340.471 3.428 20 0 EGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000420358691 309283983 /nfs/dbraw/zinc/28/39/83/309283983.db2.gz IYHLUSAVCZMXGO-LBPRGKRZSA-N 2 1 332.275 3.285 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000420361953 309284119 /nfs/dbraw/zinc/28/41/19/309284119.db2.gz NUJJRBCBEIGDLM-QUCCMNQESA-N 2 1 339.483 3.314 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CC[C@@H]4CCC[NH2+]C4)CC[C@@H]32)cc1 ZINC000420367682 309284624 /nfs/dbraw/zinc/28/46/24/309284624.db2.gz HIQRHSUSFBJAGX-NNWRFLSQSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CC[C@@H]4CCC[NH2+]C4)CC[C@@H]32)cc1 ZINC000420367682 309284625 /nfs/dbraw/zinc/28/46/25/309284625.db2.gz HIQRHSUSFBJAGX-NNWRFLSQSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CC[C@@H]4CCC[NH2+]C4)CC[C@@H]32)cc1 ZINC000420367682 309284626 /nfs/dbraw/zinc/28/46/26/309284626.db2.gz HIQRHSUSFBJAGX-NNWRFLSQSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3CN(CC[C@@H]4CCC[NH2+]C4)CC[C@@H]32)cc1 ZINC000420367682 309284627 /nfs/dbraw/zinc/28/46/27/309284627.db2.gz HIQRHSUSFBJAGX-NNWRFLSQSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(CC[C@@H]4CCC[NH2+]C4)CC[C@@H]32)cc1 ZINC000420367682 309284628 /nfs/dbraw/zinc/28/46/28/309284628.db2.gz HIQRHSUSFBJAGX-NNWRFLSQSA-N 2 1 341.543 3.363 20 0 EGADMP CCn1ccnc1[C@@H]1CCCC[N@@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420372739 309284755 /nfs/dbraw/zinc/28/47/55/309284755.db2.gz LXOJKMGWACAXQN-HKUYNNGSSA-N 2 1 342.487 3.181 20 0 EGADMP CCn1ccnc1[C@@H]1CCCC[N@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420372739 309284756 /nfs/dbraw/zinc/28/47/56/309284756.db2.gz LXOJKMGWACAXQN-HKUYNNGSSA-N 2 1 342.487 3.181 20 0 EGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000420375220 309285067 /nfs/dbraw/zinc/28/50/67/309285067.db2.gz IOLNYKRQCQPMAD-DOTOQJQBSA-N 2 1 347.484 3.121 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CCC4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000420374168 309285069 /nfs/dbraw/zinc/28/50/69/309285069.db2.gz NONRJNIAKYWLIN-FCHUYYIVSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CCC4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000420374168 309285070 /nfs/dbraw/zinc/28/50/70/309285070.db2.gz NONRJNIAKYWLIN-FCHUYYIVSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CCC4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000420374168 309285071 /nfs/dbraw/zinc/28/50/71/309285071.db2.gz NONRJNIAKYWLIN-FCHUYYIVSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H]3CN(CCC4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000420374168 309285072 /nfs/dbraw/zinc/28/50/72/309285072.db2.gz NONRJNIAKYWLIN-FCHUYYIVSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H]3CN(CCC4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000420374168 309285073 /nfs/dbraw/zinc/28/50/73/309285073.db2.gz NONRJNIAKYWLIN-FCHUYYIVSA-N 2 1 341.543 3.363 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1cccc(Cl)c1 ZINC000420380494 309285420 /nfs/dbraw/zinc/28/54/20/309285420.db2.gz BYJAMBZFMXDRFI-PBHICJAKSA-N 2 1 335.879 3.133 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C[NH3+] ZINC000420396966 309286301 /nfs/dbraw/zinc/28/63/01/309286301.db2.gz FNZKVHNPVVVFAI-APWZRJJASA-N 2 1 337.467 3.356 20 0 EGADMP Fc1ccc(-c2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)on2)cc1 ZINC000420404354 309286780 /nfs/dbraw/zinc/28/67/80/309286780.db2.gz RYACWIFUVZSMRS-DNVCBOLYSA-N 2 1 329.419 3.445 20 0 EGADMP Fc1ccc(-c2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)on2)cc1 ZINC000420404354 309286781 /nfs/dbraw/zinc/28/67/81/309286781.db2.gz RYACWIFUVZSMRS-DNVCBOLYSA-N 2 1 329.419 3.445 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1Cl ZINC000420411110 309286866 /nfs/dbraw/zinc/28/68/66/309286866.db2.gz YFPFLHINXMHTOF-PBHICJAKSA-N 2 1 335.879 3.133 20 0 EGADMP CC(C)[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCS1 ZINC000420904158 309300305 /nfs/dbraw/zinc/30/03/05/309300305.db2.gz BPQQQMILILQVCH-IBGZPJMESA-N 2 1 334.529 3.092 20 0 EGADMP CC(C)[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCS1 ZINC000420904158 309300306 /nfs/dbraw/zinc/30/03/06/309300306.db2.gz BPQQQMILILQVCH-IBGZPJMESA-N 2 1 334.529 3.092 20 0 EGADMP c1cc(C[N@@H+]2CCSC[C@H]2C2CCC2)ccc1C[NH+]1CCOCC1 ZINC000420982370 309305590 /nfs/dbraw/zinc/30/55/90/309305590.db2.gz ZZLSOMGJRNYURR-FQEVSTJZSA-N 2 1 346.540 3.236 20 0 EGADMP c1cc(C[N@H+]2CCSC[C@H]2C2CCC2)ccc1C[NH+]1CCOCC1 ZINC000420982370 309305591 /nfs/dbraw/zinc/30/55/91/309305591.db2.gz ZZLSOMGJRNYURR-FQEVSTJZSA-N 2 1 346.540 3.236 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C3CC3)c2)CCN1C1CC[NH+](C)CC1 ZINC000421357048 309319978 /nfs/dbraw/zinc/31/99/78/309319978.db2.gz MVGZWKFDPBUGFY-QGZVFWFLSA-N 2 1 327.516 3.164 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H]3C(C)=CCC[C@H]3C)CC2)CC1 ZINC000421372690 309321296 /nfs/dbraw/zinc/32/12/96/309321296.db2.gz LIJSMJNSCWPSPZ-CTNGQTDRSA-N 2 1 333.564 3.471 20 0 EGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000421827842 309342048 /nfs/dbraw/zinc/34/20/48/309342048.db2.gz ZUCGYQMLTXVFQA-OAHLLOKOSA-N 2 1 341.902 3.027 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@H]1C[NH3+] ZINC000422563681 309361830 /nfs/dbraw/zinc/36/18/30/309361830.db2.gz UGVSVCPYCBWWJA-YNVMFWSZSA-N 2 1 332.488 3.050 20 0 EGADMP c1csc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422735786 309365822 /nfs/dbraw/zinc/36/58/22/309365822.db2.gz WPRBDRYBPQJOCA-TVFCKZIOSA-N 2 1 333.545 3.395 20 0 EGADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422734745 309365937 /nfs/dbraw/zinc/36/59/37/309365937.db2.gz TWYOPNUDYVPMPC-JKWVGCSGSA-N 2 1 341.543 3.332 20 0 EGADMP CC(C)(C)[C@H](CN1CCc2ccccc2C1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422734745 309365938 /nfs/dbraw/zinc/36/59/38/309365938.db2.gz TWYOPNUDYVPMPC-JKWVGCSGSA-N 2 1 341.543 3.332 20 0 EGADMP CCOc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1OC ZINC000422846549 309371859 /nfs/dbraw/zinc/37/18/59/309371859.db2.gz QBHOSYXTLQYWTI-MAUKXSAKSA-N 2 1 328.456 3.142 20 0 EGADMP CCCOc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422872286 309373015 /nfs/dbraw/zinc/37/30/15/309373015.db2.gz GMTYGZNJJOMRAU-GBESFXJTSA-N 2 1 332.488 3.031 20 0 EGADMP CC[C@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)[N@@H+](C)Cc1ccccc1 ZINC000422888496 309374254 /nfs/dbraw/zinc/37/42/54/309374254.db2.gz NBAUWFAPNMJHHV-OXJNMPFZSA-N 2 1 339.483 3.233 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000422895394 309374901 /nfs/dbraw/zinc/37/49/01/309374901.db2.gz VWDSSMOHXLVQMZ-FCGDIQPGSA-N 3 1 329.532 3.252 20 0 EGADMP C[C@@H](NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000422895394 309374902 /nfs/dbraw/zinc/37/49/02/309374902.db2.gz VWDSSMOHXLVQMZ-FCGDIQPGSA-N 2 1 329.532 3.252 20 0 EGADMP C[C@@H](NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000422895394 309374903 /nfs/dbraw/zinc/37/49/03/309374903.db2.gz VWDSSMOHXLVQMZ-FCGDIQPGSA-N 2 1 329.532 3.252 20 0 EGADMP COc1cc(OC)cc(OCCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422929386 309376663 /nfs/dbraw/zinc/37/66/63/309376663.db2.gz PSRZQSQQANHKAN-VQTJNVASSA-N 2 1 342.439 3.207 20 0 EGADMP Clc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000423021871 309381444 /nfs/dbraw/zinc/38/14/44/309381444.db2.gz GJXPPYNBJHALQV-ZTFGCOKTSA-N 2 1 334.891 3.118 20 0 EGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccnc1OCC(F)F ZINC000423023489 309381582 /nfs/dbraw/zinc/38/15/82/309381582.db2.gz JTQKPCAEQNEXKH-DZGCQCFKSA-N 2 1 327.419 3.126 20 0 EGADMP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000423027892 309381733 /nfs/dbraw/zinc/38/17/33/309381733.db2.gz FKEIPTFYIBSELG-LHBDJYESSA-N 3 1 327.516 3.147 20 0 EGADMP C[C@H](CN1CCCCCC1)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423049669 309383003 /nfs/dbraw/zinc/38/30/03/309383003.db2.gz KELYIDBKAHRKOV-SLYNCCJLSA-N 2 1 343.515 3.096 20 0 EGADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423112609 309386610 /nfs/dbraw/zinc/38/66/10/309386610.db2.gz SFDGVLRSYHYHIO-YPMHNXCESA-N 2 1 332.366 3.201 20 0 EGADMP C[C@@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)[C@H]1CCCC[NH2+]1 ZINC000423126572 309387312 /nfs/dbraw/zinc/38/73/12/309387312.db2.gz BAAPIHDGHJTVSI-RHSMWYFYSA-N 2 1 334.533 3.174 20 0 EGADMP Fc1cc(F)c2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)CCC2 ZINC000423146187 309388284 /nfs/dbraw/zinc/38/82/84/309388284.db2.gz OLGLOZSMMBWWLV-OAOYMFHYSA-N 2 1 336.426 3.089 20 0 EGADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423187084 309389681 /nfs/dbraw/zinc/38/96/81/309389681.db2.gz LSKWQZYDCUMKIO-HNNXBMFYSA-N 2 1 333.426 3.450 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](N[C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423188645 309389714 /nfs/dbraw/zinc/38/97/14/309389714.db2.gz LYAGSXOMFZMMHI-BURNTYAHSA-N 3 1 327.516 3.019 20 0 EGADMP [NH3+]C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000423223993 309391122 /nfs/dbraw/zinc/39/11/22/309391122.db2.gz BFSXPVVETVOXOS-BFIYSBSQSA-N 3 1 327.516 3.289 20 0 EGADMP [NH3+]C1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000423223993 309391123 /nfs/dbraw/zinc/39/11/23/309391123.db2.gz BFSXPVVETVOXOS-BFIYSBSQSA-N 2 1 327.516 3.289 20 0 EGADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000423255491 309392463 /nfs/dbraw/zinc/39/24/63/309392463.db2.gz AFUDWMHSOATSHI-UYAOXDASSA-N 2 1 329.532 3.061 20 0 EGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423262818 309393048 /nfs/dbraw/zinc/39/30/48/309393048.db2.gz NMNIPMBMKZIFDB-HOTGVXAUSA-N 2 1 325.294 3.269 20 0 EGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423268951 309393351 /nfs/dbraw/zinc/39/33/51/309393351.db2.gz VJIYXHSRTZZNCU-UZLBHIALSA-N 3 1 333.520 3.185 20 0 EGADMP C[C@@H](N[C@@H](C[NH3+])C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423268951 309393352 /nfs/dbraw/zinc/39/33/52/309393352.db2.gz VJIYXHSRTZZNCU-UZLBHIALSA-N 2 1 333.520 3.185 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCC[NH2+]C1CCCCCC1 ZINC000423275639 309393679 /nfs/dbraw/zinc/39/36/79/309393679.db2.gz MBQQSAUGENGRNJ-GHTZIAJQSA-N 2 1 344.547 3.194 20 0 EGADMP [NH3+][C@@H](C[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl)C1CC1 ZINC000423313812 309394811 /nfs/dbraw/zinc/39/48/11/309394811.db2.gz GBWABPSBCBALEK-UONOGXRCSA-N 2 1 329.669 3.417 20 0 EGADMP [NH3+][C@@H](C[NH2+][C@H]1CCc2c1cc(Br)cc2Cl)C1CC1 ZINC000423313724 309394859 /nfs/dbraw/zinc/39/48/59/309394859.db2.gz GBWABPSBCBALEK-KBPBESRZSA-N 2 1 329.669 3.417 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2(C)CC[NH2+]CC2)CC1 ZINC000423333457 309395681 /nfs/dbraw/zinc/39/56/81/309395681.db2.gz PWPUJBFHHFDAIN-UHFFFAOYSA-N 3 1 329.532 3.409 20 0 EGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)CCC(F)(F)F)cc1 ZINC000423335985 309395730 /nfs/dbraw/zinc/39/57/30/309395730.db2.gz QGAGACWYNCPLCW-VBNZEHGJSA-N 2 1 330.394 3.461 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccc([C@H](C)[NH3+])cc2)c1 ZINC000423357554 309396740 /nfs/dbraw/zinc/39/67/40/309396740.db2.gz IIMXDJFIWYBFSA-INIZCTEOSA-N 2 1 339.483 3.477 20 0 EGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423359835 309396950 /nfs/dbraw/zinc/39/69/50/309396950.db2.gz KZDLSTNMDDATLJ-SFNKJDCFSA-N 2 1 345.531 3.195 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3c(Br)cccc32)CC[NH2+]1 ZINC000423366339 309397125 /nfs/dbraw/zinc/39/71/25/309397125.db2.gz CLJLPDWAYFAYNC-XUJVJEKNSA-N 2 1 339.277 3.393 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(Br)c1 ZINC000423370161 309397568 /nfs/dbraw/zinc/39/75/68/309397568.db2.gz FFPCALGUYOXEMP-TUAOUCFPSA-N 2 1 327.266 3.378 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000423377066 309397679 /nfs/dbraw/zinc/39/76/79/309397679.db2.gz VRFCAVOXKNBRGB-FDKIHUSFSA-N 3 1 327.516 3.289 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000423377066 309397680 /nfs/dbraw/zinc/39/76/80/309397680.db2.gz VRFCAVOXKNBRGB-FDKIHUSFSA-N 3 1 327.516 3.289 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000423377066 309397681 /nfs/dbraw/zinc/39/76/81/309397681.db2.gz VRFCAVOXKNBRGB-FDKIHUSFSA-N 3 1 327.516 3.289 20 0 EGADMP C[C@H](NC[C@@H]1[NH2+]CCCC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423384178 309397991 /nfs/dbraw/zinc/39/79/91/309397991.db2.gz JYIHJWCYIVGVRC-IHPCNDPISA-N 2 1 329.532 3.265 20 0 EGADMP C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000423442064 309400612 /nfs/dbraw/zinc/40/06/12/309400612.db2.gz UTLALLOLNPDJTJ-VOQZNFBZSA-N 2 1 341.543 3.060 20 0 EGADMP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424295853 309437068 /nfs/dbraw/zinc/43/70/68/309437068.db2.gz RKDKWLNTAUYPBH-LBPRGKRZSA-N 2 1 332.398 3.163 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000439083395 309825915 /nfs/dbraw/zinc/82/59/15/309825915.db2.gz CLQOKKFSALWLRF-HZPDHXFCSA-N 2 1 347.503 3.426 20 0 EGADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCC1 ZINC000449139276 310039679 /nfs/dbraw/zinc/03/96/79/310039679.db2.gz AIQLYRMTTIQOOR-UXHICEINSA-N 2 1 343.515 3.052 20 0 EGADMP C[C@H](Cc1coc2ccccc12)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000449287911 310050523 /nfs/dbraw/zinc/05/05/23/310050523.db2.gz XOVJVAUZIDRKIV-SJORKVTESA-N 2 1 330.472 3.454 20 0 EGADMP C[C@H](Cc1coc2ccccc12)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000449287911 310050524 /nfs/dbraw/zinc/05/05/24/310050524.db2.gz XOVJVAUZIDRKIV-SJORKVTESA-N 2 1 330.472 3.454 20 0 EGADMP CC(C)(CO)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000449409460 310059492 /nfs/dbraw/zinc/05/94/92/310059492.db2.gz UASMZDJDADBOCU-HSALFYBXSA-N 2 1 330.516 3.285 20 0 EGADMP CO[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000449499862 310067260 /nfs/dbraw/zinc/06/72/60/310067260.db2.gz MKVCAKPSTGMTAN-DYESRHJHSA-N 2 1 345.531 3.074 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000449506048 310067712 /nfs/dbraw/zinc/06/77/12/310067712.db2.gz KJOADWGVSGYKRF-XUFNMVPLSA-N 2 1 342.527 3.426 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000449506048 310067713 /nfs/dbraw/zinc/06/77/13/310067713.db2.gz KJOADWGVSGYKRF-XUFNMVPLSA-N 2 1 342.527 3.426 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000449508984 310067947 /nfs/dbraw/zinc/06/79/47/310067947.db2.gz VTDZSYXUUFMPTP-GIVPXCGWSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000449508984 310067948 /nfs/dbraw/zinc/06/79/48/310067948.db2.gz VTDZSYXUUFMPTP-GIVPXCGWSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000449508984 310067949 /nfs/dbraw/zinc/06/79/49/310067949.db2.gz VTDZSYXUUFMPTP-GIVPXCGWSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000449508984 310067950 /nfs/dbraw/zinc/06/79/50/310067950.db2.gz VTDZSYXUUFMPTP-GIVPXCGWSA-N 2 1 349.563 3.079 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCC[C@H]3CCOC3)CC2)cc1 ZINC000449681786 310080603 /nfs/dbraw/zinc/08/06/03/310080603.db2.gz KOAGXFCQIUOPNR-SFHVURJKSA-N 2 1 334.479 3.239 20 0 EGADMP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000449714817 310082202 /nfs/dbraw/zinc/08/22/02/310082202.db2.gz AEMLWOVEJCYMOM-CEXWTWQISA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC[NH+](C)Cc2ccccc2)C1 ZINC000450549522 310129515 /nfs/dbraw/zinc/12/95/15/310129515.db2.gz BWHKFQDNJXRETG-ZVDOUQERSA-N 2 1 329.532 3.456 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(CC[N@H+](C)Cc2ccccc2)C1 ZINC000450549522 310129516 /nfs/dbraw/zinc/12/95/16/310129516.db2.gz BWHKFQDNJXRETG-ZVDOUQERSA-N 2 1 329.532 3.456 20 0 EGADMP CC(=O)Nc1ccc(C[NH+]2CCC(Nc3cc(C)cc[nH+]3)CC2)cc1 ZINC000450783893 310142432 /nfs/dbraw/zinc/14/24/32/310142432.db2.gz FZWHQRATDXFGKF-UHFFFAOYSA-N 2 1 338.455 3.425 20 0 EGADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450862769 310146636 /nfs/dbraw/zinc/14/66/36/310146636.db2.gz AJURILUCEYHWJP-PXNSSMCTSA-N 2 1 340.467 3.398 20 0 EGADMP CCC(C)(C)CC[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451539452 310184029 /nfs/dbraw/zinc/18/40/29/310184029.db2.gz VKXSUAKSCQLOKI-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC(C)(C)CC[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451539452 310184030 /nfs/dbraw/zinc/18/40/30/310184030.db2.gz VKXSUAKSCQLOKI-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC(C)(C)CC[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451539452 310184031 /nfs/dbraw/zinc/18/40/31/310184031.db2.gz VKXSUAKSCQLOKI-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC(C)(C)CC[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451539452 310184032 /nfs/dbraw/zinc/18/40/32/310184032.db2.gz VKXSUAKSCQLOKI-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCO[C@@H]1CC[N@@H+](C[C@@H](C)C[NH+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000451551487 310185477 /nfs/dbraw/zinc/18/54/77/310185477.db2.gz XYHREWHEYLRTFD-WAPOTWQKSA-N 2 1 340.552 3.116 20 0 EGADMP CCO[C@@H]1CC[NH+](C[C@@H](C)C[N@@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000451551487 310185478 /nfs/dbraw/zinc/18/54/78/310185478.db2.gz XYHREWHEYLRTFD-WAPOTWQKSA-N 2 1 340.552 3.116 20 0 EGADMP CCO[C@@H]1CC[NH+](C[C@@H](C)C[N@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000451551487 310185479 /nfs/dbraw/zinc/18/54/79/310185479.db2.gz XYHREWHEYLRTFD-WAPOTWQKSA-N 2 1 340.552 3.116 20 0 EGADMP C[N@@H+](C[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H](CO)CC(C)(C)C ZINC000451776553 310196728 /nfs/dbraw/zinc/19/67/28/310196728.db2.gz AOPWWNYMRDHHOY-UXHICEINSA-N 2 1 348.531 3.006 20 0 EGADMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453112432 310258779 /nfs/dbraw/zinc/25/87/79/310258779.db2.gz CYFXZYRHYQCUCY-MTQWCTHYSA-N 2 1 348.556 3.133 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3cnccn3)[C@H]3CCC[C@@H]32)cc1 ZINC000453172463 310262147 /nfs/dbraw/zinc/26/21/47/310262147.db2.gz XWHWPTKGOHERNT-HKBOAZHASA-N 2 1 336.483 3.052 20 0 EGADMP OC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C1CC1 ZINC000453208079 310264046 /nfs/dbraw/zinc/26/40/46/310264046.db2.gz AJWTZLVOHGDOTO-BURNTYAHSA-N 2 1 328.500 3.038 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC3=CCCOC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453225469 310265066 /nfs/dbraw/zinc/26/50/66/310265066.db2.gz MTJSQXRSLBXUOZ-PWRODBHTSA-N 2 1 326.484 3.366 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000453338950 310271876 /nfs/dbraw/zinc/27/18/76/310271876.db2.gz GCXGPTUPJXLZIA-VKJFTORMSA-N 2 1 328.460 3.180 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455852016 310379484 /nfs/dbraw/zinc/37/94/84/310379484.db2.gz LSUYSYQJLCDJTN-HKUYNNGSSA-N 2 1 344.503 3.231 20 0 EGADMP CCCC[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455902903 310381755 /nfs/dbraw/zinc/38/17/55/310381755.db2.gz GNXRIKFSINNLIH-SFHVURJKSA-N 2 1 332.492 3.089 20 0 EGADMP COc1ccc(C[C@@H](C)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000459469177 310554742 /nfs/dbraw/zinc/55/47/42/310554742.db2.gz SHXPQPOJLAOQFR-OAHLLOKOSA-N 2 1 332.488 3.099 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCC(C)CC2)[C@@H]1C ZINC000474461635 310794124 /nfs/dbraw/zinc/79/41/24/310794124.db2.gz PWWGYXJVCPBARY-YDZRNGNQSA-N 2 1 338.536 3.310 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(C)cc1 ZINC000482147547 310927245 /nfs/dbraw/zinc/92/72/45/310927245.db2.gz XJNTYBZYGVTPJR-PMACEKPBSA-N 2 1 345.531 3.101 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C/C=C\c3ccncc3)c2)CCO1 ZINC000486948697 311003485 /nfs/dbraw/zinc/00/34/85/311003485.db2.gz VDNGDSJGTNKKHW-VDNIUXDYSA-N 2 1 337.467 3.105 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C/C=C\c3ccncc3)c2)CCO1 ZINC000486948697 311003486 /nfs/dbraw/zinc/00/34/86/311003486.db2.gz VDNGDSJGTNKKHW-VDNIUXDYSA-N 2 1 337.467 3.105 20 0 EGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)CC[N@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000487430374 311023259 /nfs/dbraw/zinc/02/32/59/311023259.db2.gz LOOCLOFVYIBWKQ-WFXMLNOXSA-N 2 1 345.531 3.367 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cccnc2OC)CC1)CC1CC1 ZINC000488096099 311051080 /nfs/dbraw/zinc/05/10/80/311051080.db2.gz DESCIXCPSVIYEV-UHFFFAOYSA-N 2 1 331.504 3.424 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+][C@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000489936829 311126062 /nfs/dbraw/zinc/12/60/62/311126062.db2.gz SHTOCPXCAFKTAL-UWHLTILDSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714077 312100776 /nfs/dbraw/zinc/10/07/76/312100776.db2.gz GWDNDPFSPRVICJ-WJMWBRGCSA-N 2 1 330.516 3.428 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@@H](C)CC(C)C)CC1 ZINC000512266414 312181203 /nfs/dbraw/zinc/18/12/03/312181203.db2.gz SYIWOQFJORXJQO-SFHVURJKSA-N 2 1 339.568 3.323 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCOCC4CC4)[C@H]3C2)cc1 ZINC000512643731 312191135 /nfs/dbraw/zinc/19/11/35/312191135.db2.gz XYZYBEKFMRNBRD-ACRUOGEOSA-N 2 1 328.500 3.303 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCN(C5CC5)C4)[C@H]3C2)cc1 ZINC000512660015 312191450 /nfs/dbraw/zinc/19/14/50/312191450.db2.gz LDCOSHBKNHJLDW-MXNKGDRCSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CC[NH+](C5CC5)C4)[C@H]3C2)cc1 ZINC000512660015 312191452 /nfs/dbraw/zinc/19/14/52/312191452.db2.gz LDCOSHBKNHJLDW-MXNKGDRCSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CC[NH+](C5CC5)C4)[C@H]3C2)cc1 ZINC000512660015 312191456 /nfs/dbraw/zinc/19/14/56/312191456.db2.gz LDCOSHBKNHJLDW-MXNKGDRCSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H](N[C@@H]4CC[N@@H+](C5CC5)C4)[C@H]3C2)cc1 ZINC000512660015 312191459 /nfs/dbraw/zinc/19/14/59/312191459.db2.gz LDCOSHBKNHJLDW-MXNKGDRCSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H](N[C@@H]4CC[N@H+](C5CC5)C4)[C@H]3C2)cc1 ZINC000512660015 312191461 /nfs/dbraw/zinc/19/14/61/312191461.db2.gz LDCOSHBKNHJLDW-MXNKGDRCSA-N 2 1 339.527 3.113 20 0 EGADMP C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000515048712 312262665 /nfs/dbraw/zinc/26/26/65/312262665.db2.gz QVZRJHVJQOMIAH-YJBOKZPZSA-N 2 1 340.471 3.185 20 0 EGADMP C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000515777194 312297370 /nfs/dbraw/zinc/29/73/70/312297370.db2.gz YZQOEKNNMXCWJK-CIAFKFPVSA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000515777194 312297373 /nfs/dbraw/zinc/29/73/73/312297373.db2.gz YZQOEKNNMXCWJK-CIAFKFPVSA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000515777194 312297376 /nfs/dbraw/zinc/29/73/76/312297376.db2.gz YZQOEKNNMXCWJK-CIAFKFPVSA-N 2 1 341.543 3.361 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000515777194 312297378 /nfs/dbraw/zinc/29/73/78/312297378.db2.gz YZQOEKNNMXCWJK-CIAFKFPVSA-N 3 1 341.543 3.361 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000515777194 312297380 /nfs/dbraw/zinc/29/73/80/312297380.db2.gz YZQOEKNNMXCWJK-CIAFKFPVSA-N 3 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000515777194 312297383 /nfs/dbraw/zinc/29/73/83/312297383.db2.gz YZQOEKNNMXCWJK-CIAFKFPVSA-N 3 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000515777194 312297384 /nfs/dbraw/zinc/29/73/84/312297384.db2.gz YZQOEKNNMXCWJK-CIAFKFPVSA-N 3 1 341.543 3.361 20 0 EGADMP Cc1cc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cn2cc[nH+]c12 ZINC000515997419 312305181 /nfs/dbraw/zinc/30/51/81/312305181.db2.gz LQBRMEFRGCHVSN-HUUCEWRRSA-N 2 1 329.448 3.027 20 0 EGADMP Cc1cc(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cn2cc[nH+]c12 ZINC000515997419 312305183 /nfs/dbraw/zinc/30/51/83/312305183.db2.gz LQBRMEFRGCHVSN-HUUCEWRRSA-N 2 1 329.448 3.027 20 0 EGADMP CN1CC[NH+](CCCS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000516063091 312307100 /nfs/dbraw/zinc/30/71/00/312307100.db2.gz LWBNJNSZEPDSOW-FQEVSTJZSA-N 2 1 347.572 3.022 20 0 EGADMP C[NH+]1CCN(CCCS[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000516063091 312307102 /nfs/dbraw/zinc/30/71/02/312307102.db2.gz LWBNJNSZEPDSOW-FQEVSTJZSA-N 2 1 347.572 3.022 20 0 EGADMP C[NH+]1CCN(CCCS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000516063091 312307104 /nfs/dbraw/zinc/30/71/04/312307104.db2.gz LWBNJNSZEPDSOW-FQEVSTJZSA-N 2 1 347.572 3.022 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3C(C)(C)C)CC2)CC1 ZINC000517169601 312366511 /nfs/dbraw/zinc/36/65/11/312366511.db2.gz AFILQRSDGUVEBV-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000528392457 313082039 /nfs/dbraw/zinc/08/20/39/313082039.db2.gz CZIBTKVNMMGDIX-QUCCMNQESA-N 2 1 334.479 3.047 20 0 EGADMP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000528392457 313082041 /nfs/dbraw/zinc/08/20/41/313082041.db2.gz CZIBTKVNMMGDIX-QUCCMNQESA-N 2 1 334.479 3.047 20 0 EGADMP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000528392457 313082044 /nfs/dbraw/zinc/08/20/44/313082044.db2.gz CZIBTKVNMMGDIX-QUCCMNQESA-N 2 1 334.479 3.047 20 0 EGADMP C[NH+](C)CCOC1CC[NH+](Cc2ccsc2C(F)(F)F)CC1 ZINC000529528773 313344312 /nfs/dbraw/zinc/34/43/12/313344312.db2.gz VQMHNNJWCSSCHU-UHFFFAOYSA-N 2 1 336.423 3.310 20 0 EGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000532465069 313803210 /nfs/dbraw/zinc/80/32/10/313803210.db2.gz HGXGMWPWRMZYJJ-OXLPJUHDSA-N 2 1 336.442 3.178 20 0 EGADMP CCc1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)s1 ZINC000535817573 314077417 /nfs/dbraw/zinc/07/74/17/314077417.db2.gz ICMPYZKDDJHXFY-IRXDYDNUSA-N 2 1 335.561 3.301 20 0 EGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000537959738 314220040 /nfs/dbraw/zinc/22/00/40/314220040.db2.gz RQORFEYVOZIJET-SNRMKQJTSA-N 2 1 332.488 3.032 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1 ZINC000537965937 314220145 /nfs/dbraw/zinc/22/01/45/314220145.db2.gz MKXVAZONEKJYEG-JKSUJKDBSA-N 2 1 328.460 3.143 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccn2)cc1 ZINC000538613604 314258111 /nfs/dbraw/zinc/25/81/11/314258111.db2.gz BRHOQCZDGJCCTK-HNNXBMFYSA-N 2 1 349.438 3.255 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2Cc3ccccc3C2)[C@@H](C)C1 ZINC000539070499 314293955 /nfs/dbraw/zinc/29/39/55/314293955.db2.gz LZWXOIAIEKCCOD-UWJYYQICSA-N 2 1 330.516 3.128 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2Cc2ccccc2)[C@H](C)C1 ZINC000539088513 314296096 /nfs/dbraw/zinc/29/60/96/314296096.db2.gz VLNSSKMEQLOSRA-AYWYSENESA-N 2 1 330.516 3.344 20 0 EGADMP CO[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000543074841 314602047 /nfs/dbraw/zinc/60/20/47/314602047.db2.gz YRZLFGHWLAOKQV-FXAWDEMLSA-N 2 1 334.479 3.237 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3cccc(F)c3[C@H]2C)CC1 ZINC000548844643 315054573 /nfs/dbraw/zinc/05/45/73/315054573.db2.gz UXRAANGXDQDNTI-QGZVFWFLSA-N 2 1 333.495 3.161 20 0 EGADMP OC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000550274947 315122790 /nfs/dbraw/zinc/12/27/90/315122790.db2.gz IRAPBELBWXCBSL-HXUWFJFHSA-N 2 1 330.516 3.429 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000551210933 315145147 /nfs/dbraw/zinc/14/51/47/315145147.db2.gz CSCBRZRVVOAHMJ-UYAOXDASSA-N 2 1 332.488 3.064 20 0 EGADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CC[C@@H]2C2CC2)[C@@H](c2ccccc2)C1 ZINC000554049423 315295502 /nfs/dbraw/zinc/29/55/02/315295502.db2.gz QYVCRNRHVVTBEN-NJDAHSKKSA-N 2 1 327.516 3.143 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC34CCOCC4)CC2)oc1C ZINC000554561135 315332756 /nfs/dbraw/zinc/33/27/56/315332756.db2.gz XZFFIOBJHWJHGV-SFHVURJKSA-N 2 1 347.503 3.052 20 0 EGADMP CC(C)CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000555235158 315374516 /nfs/dbraw/zinc/37/45/16/315374516.db2.gz GNLJDIXSYKXFCN-SFTDATJTSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000555235158 315374519 /nfs/dbraw/zinc/37/45/19/315374519.db2.gz GNLJDIXSYKXFCN-SFTDATJTSA-N 2 1 330.516 3.428 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)sc1Br ZINC000560550804 315706926 /nfs/dbraw/zinc/70/69/26/315706926.db2.gz QVGVNKSCMCCNMI-SNVBAGLBSA-N 2 1 328.279 3.446 20 0 EGADMP CCc1nc(C[NH+]2CCC(OCC[NH+](CC)CC)CC2)cs1 ZINC000075007420 454672915 /nfs/dbraw/zinc/67/29/15/454672915.db2.gz IQKQPHBEZQMWIX-UHFFFAOYSA-N 2 1 325.522 3.028 20 0 EGADMP C[C@@H]([NH2+]C(C)(C)CNC[C@@H](O)Cc1ccccc1)c1ccccc1 ZINC000563707401 316058985 /nfs/dbraw/zinc/05/89/85/316058985.db2.gz KEXZOAIXCGORGA-XLIONFOSSA-N 2 1 326.484 3.309 20 0 EGADMP c1nn([C@H]2CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)c2ccccc12 ZINC000565095825 316263956 /nfs/dbraw/zinc/26/39/56/316263956.db2.gz UBZRZLILVHMQLU-FQEVSTJZSA-N 2 1 332.451 3.129 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000565315064 316308894 /nfs/dbraw/zinc/30/88/94/316308894.db2.gz LIBULCGCKCMNGF-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000565488622 316331054 /nfs/dbraw/zinc/33/10/54/316331054.db2.gz CHXMNJHASXTQTL-INIZCTEOSA-N 2 1 342.270 3.373 20 0 EGADMP COc1sc(C[NH+]2CCC(CC[NH3+])CC2)cc1Br ZINC000567506596 316628407 /nfs/dbraw/zinc/62/84/07/316628407.db2.gz VYQPWWRMIFFZKE-UHFFFAOYSA-N 2 1 333.295 3.080 20 0 EGADMP Cn1ncc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)cc21 ZINC000570065281 317003723 /nfs/dbraw/zinc/00/37/23/317003723.db2.gz SHGGISUFULJGOA-WOJBJXKFSA-N 2 1 334.467 3.498 20 0 EGADMP Cn1ncc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)cc21 ZINC000570065281 317003727 /nfs/dbraw/zinc/00/37/27/317003727.db2.gz SHGGISUFULJGOA-WOJBJXKFSA-N 2 1 334.467 3.498 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000571175377 317162345 /nfs/dbraw/zinc/16/23/45/317162345.db2.gz GKANBNUHKADKDO-BRWVUGGUSA-N 2 1 344.421 3.244 20 0 EGADMP Fc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000252674116 455827901 /nfs/dbraw/zinc/82/79/01/455827901.db2.gz OZQKAOCPVYUVEA-OLZOCXBDSA-N 2 1 327.241 3.305 20 0 EGADMP CC[C@H](C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000172242824 323273949 /nfs/dbraw/zinc/27/39/49/323273949.db2.gz XSKRDGYGCQDFNW-SFHVURJKSA-N 2 1 345.531 3.276 20 0 EGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccoc1 ZINC000177924689 323347899 /nfs/dbraw/zinc/34/78/99/323347899.db2.gz SXWNCXWAHWGZSW-FXAWDEMLSA-N 2 1 327.472 3.309 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000386626675 324268934 /nfs/dbraw/zinc/26/89/34/324268934.db2.gz OTNRUKUNYXURBE-ZYHUDNBSSA-N 2 1 329.307 3.429 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000386626675 324268939 /nfs/dbraw/zinc/26/89/39/324268939.db2.gz OTNRUKUNYXURBE-ZYHUDNBSSA-N 2 1 329.307 3.429 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1(CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)CCC1 ZINC000387371627 324271477 /nfs/dbraw/zinc/27/14/77/324271477.db2.gz IHJIAVSCDSDTEL-WOJBJXKFSA-N 2 1 327.516 3.258 20 0 EGADMP C[NH+](Cc1ccccc1)C1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000387371627 324271480 /nfs/dbraw/zinc/27/14/80/324271480.db2.gz IHJIAVSCDSDTEL-WOJBJXKFSA-N 2 1 327.516 3.258 20 0 EGADMP C[NH+](Cc1ccccc1)C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000387371627 324271481 /nfs/dbraw/zinc/27/14/81/324271481.db2.gz IHJIAVSCDSDTEL-WOJBJXKFSA-N 2 1 327.516 3.258 20 0 EGADMP CN(Cc1ccccc1)C1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000387371627 324271485 /nfs/dbraw/zinc/27/14/85/324271485.db2.gz IHJIAVSCDSDTEL-WOJBJXKFSA-N 2 1 327.516 3.258 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC[C@@H]1CCCC[NH+]1C ZINC000397985282 324294537 /nfs/dbraw/zinc/29/45/37/324294537.db2.gz ODTYVCMIDANMRG-GIVPXCGWSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCC[C@@H]1CCCC[N@@H+]1C ZINC000397985282 324294544 /nfs/dbraw/zinc/29/45/44/324294544.db2.gz ODTYVCMIDANMRG-GIVPXCGWSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCC[C@@H]1CCCC[N@H+]1C ZINC000397985282 324294550 /nfs/dbraw/zinc/29/45/50/324294550.db2.gz ODTYVCMIDANMRG-GIVPXCGWSA-N 2 1 329.532 3.361 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000578761985 325015151 /nfs/dbraw/zinc/01/51/51/325015151.db2.gz WAIJXHNCMAMPMO-BRWVUGGUSA-N 2 1 344.421 3.244 20 0 EGADMP CC[NH2+]CCCNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000580049385 325195674 /nfs/dbraw/zinc/19/56/74/325195674.db2.gz OPHRAWXENGJTCL-UHFFFAOYSA-N 2 1 343.475 3.176 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000580567666 325268828 /nfs/dbraw/zinc/26/88/28/325268828.db2.gz HOKUTWDAZBDPPX-OALUTQOASA-N 2 1 331.504 3.051 20 0 EGADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000581543346 325370120 /nfs/dbraw/zinc/37/01/20/325370120.db2.gz CMENEVHSFUUQEJ-UXHICEINSA-N 2 1 348.531 3.001 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000582905481 325479502 /nfs/dbraw/zinc/47/95/02/325479502.db2.gz QQKCJZVOPPAEBF-QGZVFWFLSA-N 2 1 329.488 3.070 20 0 EGADMP CC[N@@H+](Cc1cc(Br)ccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000345184869 456958216 /nfs/dbraw/zinc/95/82/16/456958216.db2.gz YJFVGUQNXSDJRE-HNNXBMFYSA-N 2 1 341.293 3.422 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CC[N@H+]1C ZINC000180707416 455230884 /nfs/dbraw/zinc/23/08/84/455230884.db2.gz BFOVVUUFIPVNES-IUODEOHRSA-N 2 1 334.851 3.005 20 0 EGADMP CC[N@@H+]1CCC[C@H]1CNc1cc[nH+]c2ccc(Br)cc12 ZINC000503536066 458713603 /nfs/dbraw/zinc/71/36/03/458713603.db2.gz AFWMGUMQIFZZLW-ZDUSSCGKSA-N 2 1 334.261 3.315 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNc1cc[nH+]c2ccc(Br)cc12 ZINC000503536066 458713611 /nfs/dbraw/zinc/71/36/11/458713611.db2.gz AFWMGUMQIFZZLW-ZDUSSCGKSA-N 2 1 334.261 3.315 20 0 EGADMP [NH3+]CCCCCCC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000238001684 455243253 /nfs/dbraw/zinc/24/32/53/455243253.db2.gz IINYFYWPNDRFQN-UHFFFAOYSA-N 2 1 335.517 3.083 20 0 EGADMP Brc1cccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000157936468 455250498 /nfs/dbraw/zinc/25/04/98/455250498.db2.gz ZDNMXYXVBBIIKN-HUUCEWRRSA-N 2 1 339.277 3.044 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@]2(C)CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000181006359 455275337 /nfs/dbraw/zinc/27/53/37/455275337.db2.gz LXGUEJDYJWISKE-LMNJBCLMSA-N 2 1 343.515 3.030 20 0 EGADMP COC(=O)c1oc([C@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000181052647 455281580 /nfs/dbraw/zinc/28/15/80/455281580.db2.gz GAYDMQNGMLLBLC-LSDHHAIUSA-N 2 1 345.443 3.124 20 0 EGADMP COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000181052647 455281582 /nfs/dbraw/zinc/28/15/82/455281582.db2.gz GAYDMQNGMLLBLC-LSDHHAIUSA-N 2 1 345.443 3.124 20 0 EGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000183377739 455285342 /nfs/dbraw/zinc/28/53/42/455285342.db2.gz CKJZUZBRRJMGCT-IAGOWNOFSA-N 2 1 348.487 3.011 20 0 EGADMP c1ccc(-c2noc(CC[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000173881769 455337871 /nfs/dbraw/zinc/33/78/71/455337871.db2.gz GSLGWXYXTUMJEG-KRWDZBQOSA-N 2 1 340.471 3.087 20 0 EGADMP c1ccc(-c2noc(CC[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000173881769 455337876 /nfs/dbraw/zinc/33/78/76/455337876.db2.gz GSLGWXYXTUMJEG-KRWDZBQOSA-N 2 1 340.471 3.087 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000015300389 453566706 /nfs/dbraw/zinc/56/67/06/453566706.db2.gz AHRDUCJJMALRNS-UHFFFAOYSA-N 2 1 345.531 3.016 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000015300389 453566710 /nfs/dbraw/zinc/56/67/10/453566710.db2.gz AHRDUCJJMALRNS-UHFFFAOYSA-N 2 1 345.531 3.016 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@H](C)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000245717515 455363323 /nfs/dbraw/zinc/36/33/23/455363323.db2.gz UGTXIZRSHYNQMF-AOIWGVFYSA-N 2 1 340.471 3.410 20 0 EGADMP CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000075022710 453853911 /nfs/dbraw/zinc/85/39/11/453853911.db2.gz VRGPGNLUTNSLJQ-PXNSSMCTSA-N 2 1 343.515 3.019 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2SC)C1 ZINC000081572900 453889973 /nfs/dbraw/zinc/88/99/73/453889973.db2.gz WBXNXFJGHDLEFO-MRXNPFEDSA-N 2 1 349.544 3.401 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2SC)C1 ZINC000081572900 453889976 /nfs/dbraw/zinc/88/99/76/453889976.db2.gz WBXNXFJGHDLEFO-MRXNPFEDSA-N 2 1 349.544 3.401 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2SC)C1 ZINC000081572900 453889979 /nfs/dbraw/zinc/88/99/79/453889979.db2.gz WBXNXFJGHDLEFO-MRXNPFEDSA-N 2 1 349.544 3.401 20 0 EGADMP Cc1ccc2c(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cc(=O)oc2c1C ZINC000075572122 453906748 /nfs/dbraw/zinc/90/67/48/453906748.db2.gz HCISSFVFSPTJNO-UHFFFAOYSA-N 2 1 349.434 3.127 20 0 EGADMP c1ccc(OCc2cccnc2)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000075780419 453925628 /nfs/dbraw/zinc/92/56/28/453925628.db2.gz RTCQDSIHGFAOHY-QGZVFWFLSA-N 2 1 337.467 3.235 20 0 EGADMP c1ccc(OCc2cccnc2)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000075780419 453925630 /nfs/dbraw/zinc/92/56/30/453925630.db2.gz RTCQDSIHGFAOHY-QGZVFWFLSA-N 2 1 337.467 3.235 20 0 EGADMP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000068118747 453998831 /nfs/dbraw/zinc/99/88/31/453998831.db2.gz JBWALWPAGABSLB-MSOLQXFVSA-N 2 1 343.515 3.133 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(Nc2cc[nH+]c(N(C)C)n2)CC1 ZINC000077225130 454078572 /nfs/dbraw/zinc/07/85/72/454078572.db2.gz TVMKUXYUTCPGIU-HNNXBMFYSA-N 2 1 325.460 3.180 20 0 EGADMP CCc1noc(-c2ccc(CC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)cc2)n1 ZINC000089551300 454161937 /nfs/dbraw/zinc/16/19/37/454161937.db2.gz CXLRCLWGGHUCPZ-HDMKZQKVSA-N 2 1 342.487 3.160 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000089555984 454162315 /nfs/dbraw/zinc/16/23/15/454162315.db2.gz FVNKEJNMRBTLAD-DVOMOZLQSA-N 2 1 348.878 3.251 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000119716256 454215354 /nfs/dbraw/zinc/21/53/54/454215354.db2.gz GEYFGADNUCKXBS-HNNXBMFYSA-N 2 1 327.472 3.091 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000090586744 454324269 /nfs/dbraw/zinc/32/42/69/454324269.db2.gz WXOXMPJTBXPOQO-LJQANCHMSA-N 2 1 344.547 3.004 20 0 EGADMP CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000072966022 454372739 /nfs/dbraw/zinc/37/27/39/454372739.db2.gz UWYKBJFGVANZFD-IEBWSBKVSA-N 2 1 343.515 3.133 20 0 EGADMP CNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000072966022 454372743 /nfs/dbraw/zinc/37/27/43/454372743.db2.gz UWYKBJFGVANZFD-IEBWSBKVSA-N 2 1 343.515 3.133 20 0 EGADMP CNC(=O)c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000072966022 454372748 /nfs/dbraw/zinc/37/27/48/454372748.db2.gz UWYKBJFGVANZFD-IEBWSBKVSA-N 2 1 343.515 3.133 20 0 EGADMP CNC(=O)c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000072966022 454372751 /nfs/dbraw/zinc/37/27/51/454372751.db2.gz UWYKBJFGVANZFD-IEBWSBKVSA-N 2 1 343.515 3.133 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000097115673 454412540 /nfs/dbraw/zinc/41/25/40/454412540.db2.gz RZSLMSIZBGLBMO-CQSZACIVSA-N 2 1 346.425 3.042 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000121416661 454433154 /nfs/dbraw/zinc/43/31/54/454433154.db2.gz DNCOKJSXBHMPMG-IAGOWNOFSA-N 3 1 344.503 3.119 20 0 EGADMP O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000063654644 454434315 /nfs/dbraw/zinc/43/43/15/454434315.db2.gz NTVMRWGCTLFLLC-HXUWFJFHSA-N 2 1 343.515 3.033 20 0 EGADMP Cc1cc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC000091453624 454436718 /nfs/dbraw/zinc/43/67/18/454436718.db2.gz CJVZHZCGIJFUIN-INIZCTEOSA-N 2 1 325.456 3.233 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccco1 ZINC000101660467 454480242 /nfs/dbraw/zinc/48/02/42/454480242.db2.gz PVBBXYFKJLZLNO-YYIAUSFCSA-N 2 1 335.492 3.040 20 0 EGADMP CC[C@@]1(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CCC[NH2+]1 ZINC000134563678 454561170 /nfs/dbraw/zinc/56/11/70/454561170.db2.gz JMPVINRBURNLNK-JXFKEZNVSA-N 2 1 329.488 3.389 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000104346200 454583077 /nfs/dbraw/zinc/58/30/77/454583077.db2.gz JBYUGRNUASTPRZ-INIZCTEOSA-N 2 1 332.835 3.339 20 0 EGADMP CCN1CCCC[C@H]1C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000104346200 454583078 /nfs/dbraw/zinc/58/30/78/454583078.db2.gz JBYUGRNUASTPRZ-INIZCTEOSA-N 2 1 332.835 3.339 20 0 EGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000080647245 454611443 /nfs/dbraw/zinc/61/14/43/454611443.db2.gz RDGKKVXZXYVXLO-UHFFFAOYSA-N 2 1 326.431 3.288 20 0 EGADMP C[NH+](C)CCCC1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000123188950 454613401 /nfs/dbraw/zinc/61/34/01/454613401.db2.gz KYYSGJIWGDZYCS-UHFFFAOYSA-N 2 1 334.489 3.352 20 0 EGADMP Cc1ccn2c(C[N@@H+]3CC[C@H](CNc4cccc(C)[nH+]4)C3)cnc2c1 ZINC000092813163 454639221 /nfs/dbraw/zinc/63/92/21/454639221.db2.gz QGVFQNAVLQBJNE-QGZVFWFLSA-N 2 1 335.455 3.280 20 0 EGADMP Cc1ccn2c(C[N@H+]3CC[C@H](CNc4cccc(C)[nH+]4)C3)cnc2c1 ZINC000092813163 454639223 /nfs/dbraw/zinc/63/92/23/454639223.db2.gz QGVFQNAVLQBJNE-QGZVFWFLSA-N 2 1 335.455 3.280 20 0 EGADMP Cn1c(Cl)cnc1C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820892 454639815 /nfs/dbraw/zinc/63/98/15/454639815.db2.gz LBQWZEMXBVIPSX-UHFFFAOYSA-N 2 1 347.894 3.207 20 0 EGADMP Cn1c(Cl)cnc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820892 454639820 /nfs/dbraw/zinc/63/98/20/454639820.db2.gz LBQWZEMXBVIPSX-UHFFFAOYSA-N 2 1 347.894 3.207 20 0 EGADMP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1cccc(F)c1 ZINC000052005475 454646669 /nfs/dbraw/zinc/64/66/69/454646669.db2.gz RCFOMEXFXSPZJJ-UHFFFAOYSA-N 2 1 333.451 3.105 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000066139506 454659423 /nfs/dbraw/zinc/65/94/23/454659423.db2.gz KTTIAXYICDVECO-MRXNPFEDSA-N 2 1 331.504 3.131 20 0 EGADMP CC[C@@H](C)[NH+](C)CCNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000066139506 454659430 /nfs/dbraw/zinc/65/94/30/454659430.db2.gz KTTIAXYICDVECO-MRXNPFEDSA-N 2 1 331.504 3.131 20 0 EGADMP CC[C@@H](C)[NH+](C)CCNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000066139506 454659434 /nfs/dbraw/zinc/65/94/34/454659434.db2.gz KTTIAXYICDVECO-MRXNPFEDSA-N 2 1 331.504 3.131 20 0 EGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000152675970 454710716 /nfs/dbraw/zinc/71/07/16/454710716.db2.gz HKHUYFGUXNNGFQ-YYWHXJBOSA-N 2 1 328.500 3.335 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cnccn3)CC2)cs1 ZINC000161780868 454723222 /nfs/dbraw/zinc/72/32/22/454723222.db2.gz DKMYFXMVRXQKLK-AWEZNQCLSA-N 2 1 345.516 3.058 20 0 EGADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(F)ccc1F ZINC000124378594 454725868 /nfs/dbraw/zinc/72/58/68/454725868.db2.gz LCGBHGFVYUMFMA-LJQANCHMSA-N 2 1 339.474 3.279 20 0 EGADMP COCCCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683893 454728501 /nfs/dbraw/zinc/72/85/01/454728501.db2.gz YEHAZXZVMWDSIB-FQEVSTJZSA-N 2 1 346.515 3.410 20 0 EGADMP COCCCOc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683893 454728503 /nfs/dbraw/zinc/72/85/03/454728503.db2.gz YEHAZXZVMWDSIB-FQEVSTJZSA-N 2 1 346.515 3.410 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000093693400 454730712 /nfs/dbraw/zinc/73/07/12/454730712.db2.gz LNNKQABSVYBXOS-OAHLLOKOSA-N 2 1 330.451 3.380 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000093693400 454730713 /nfs/dbraw/zinc/73/07/13/454730713.db2.gz LNNKQABSVYBXOS-OAHLLOKOSA-N 2 1 330.451 3.380 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093770196 454735505 /nfs/dbraw/zinc/73/55/05/454735505.db2.gz IUECEMWPQCAENF-GOSISDBHSA-N 2 1 326.488 3.263 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093770196 454735519 /nfs/dbraw/zinc/73/55/19/454735519.db2.gz IUECEMWPQCAENF-GOSISDBHSA-N 2 1 326.488 3.263 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093770196 454735524 /nfs/dbraw/zinc/73/55/24/454735524.db2.gz IUECEMWPQCAENF-GOSISDBHSA-N 2 1 326.488 3.263 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093770196 454735530 /nfs/dbraw/zinc/73/55/30/454735530.db2.gz IUECEMWPQCAENF-GOSISDBHSA-N 2 1 326.488 3.263 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000136323519 454735982 /nfs/dbraw/zinc/73/59/82/454735982.db2.gz BKDOSNVGOQGTDN-UEXGIBASSA-N 3 1 340.515 3.328 20 0 EGADMP CC[N@@H+](Cc1ccc(CO)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818788 454738212 /nfs/dbraw/zinc/73/82/12/454738212.db2.gz RUMAWBAZPUHAPP-SFHVURJKSA-N 2 1 328.456 3.116 20 0 EGADMP CC[N@H+](Cc1ccc(CO)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818788 454738215 /nfs/dbraw/zinc/73/82/15/454738215.db2.gz RUMAWBAZPUHAPP-SFHVURJKSA-N 2 1 328.456 3.116 20 0 EGADMP CC[NH+](Cc1ccc(CO)o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818788 454738221 /nfs/dbraw/zinc/73/82/21/454738221.db2.gz RUMAWBAZPUHAPP-SFHVURJKSA-N 2 1 328.456 3.116 20 0 EGADMP CC[NH+](Cc1ccc(CO)o1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818788 454738225 /nfs/dbraw/zinc/73/82/25/454738225.db2.gz RUMAWBAZPUHAPP-SFHVURJKSA-N 2 1 328.456 3.116 20 0 EGADMP Cc1cccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1C ZINC000620437293 460652738 /nfs/dbraw/zinc/65/27/38/460652738.db2.gz COKLVZCCLUIBOT-LJQANCHMSA-N 2 1 343.540 3.443 20 0 EGADMP C[C@H]([NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cnn(C)c1 ZINC000124705139 454762245 /nfs/dbraw/zinc/76/22/45/454762245.db2.gz JYXDSGAXWAPGDL-XKMFVZKXSA-N 2 1 326.488 3.227 20 0 EGADMP COCCC[NH+]1CCC([NH2+]Cc2cc3cc(OC)ccc3o2)CC1 ZINC000124809112 454772299 /nfs/dbraw/zinc/77/22/99/454772299.db2.gz HTHPVROFRUTSHJ-UHFFFAOYSA-N 2 1 332.444 3.032 20 0 EGADMP C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000138078207 454788403 /nfs/dbraw/zinc/78/84/03/454788403.db2.gz VYPAYAJNRVLOPI-ZWKOTPCHSA-N 2 1 326.488 3.436 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCCCC1)CC1CCN(c2ccccn2)CC1 ZINC000125304858 454812339 /nfs/dbraw/zinc/81/23/39/454812339.db2.gz SGFBJFFNBCHBCF-UHFFFAOYSA-N 2 1 344.547 3.496 20 0 EGADMP CC(C)(CO)CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000163214627 454831528 /nfs/dbraw/zinc/83/15/28/454831528.db2.gz XVOASEKMFWUJAN-UHFFFAOYSA-N 2 1 336.495 3.221 20 0 EGADMP C[C@H]1C[N@@H+](C)[C@@H](C)C[C@H]1N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000163239693 454832722 /nfs/dbraw/zinc/83/27/22/454832722.db2.gz FAPXZPGYVLJTOU-OAGDOXAWSA-N 3 1 329.532 3.358 20 0 EGADMP C[C@H]1C[NH+](C)[C@@H](C)C[C@H]1N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000163239693 454832728 /nfs/dbraw/zinc/83/27/28/454832728.db2.gz FAPXZPGYVLJTOU-OAGDOXAWSA-N 3 1 329.532 3.358 20 0 EGADMP C[C@H]1C[NH+](C)[C@@H](C)C[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000163239693 454832732 /nfs/dbraw/zinc/83/27/32/454832732.db2.gz FAPXZPGYVLJTOU-OAGDOXAWSA-N 3 1 329.532 3.358 20 0 EGADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc(Oc2ccncc2)c1 ZINC000153858511 454840721 /nfs/dbraw/zinc/84/07/21/454840721.db2.gz WTEJWDCWHZBICS-LJQANCHMSA-N 2 1 339.439 3.286 20 0 EGADMP CC(C)[C@H]1CN(C)CCN1C(=O)c1cccc(Oc2ccncc2)c1 ZINC000153858511 454840724 /nfs/dbraw/zinc/84/07/24/454840724.db2.gz WTEJWDCWHZBICS-LJQANCHMSA-N 2 1 339.439 3.286 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000163929919 454869762 /nfs/dbraw/zinc/86/97/62/454869762.db2.gz HVJYAKLHDQNPAD-NQIIRXRSSA-N 3 1 329.532 3.492 20 0 EGADMP CC[N@@H+]1CC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000163929919 454869766 /nfs/dbraw/zinc/86/97/66/454869766.db2.gz HVJYAKLHDQNPAD-NQIIRXRSSA-N 2 1 329.532 3.492 20 0 EGADMP CC[N@H+]1CC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000163929919 454869768 /nfs/dbraw/zinc/86/97/68/454869768.db2.gz HVJYAKLHDQNPAD-NQIIRXRSSA-N 2 1 329.532 3.492 20 0 EGADMP CCN1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000163929919 454869772 /nfs/dbraw/zinc/86/97/72/454869772.db2.gz HVJYAKLHDQNPAD-NQIIRXRSSA-N 2 1 329.532 3.492 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cnn(C(C)C)c2)[C@H](C)C1 ZINC000164126199 454874813 /nfs/dbraw/zinc/87/48/13/454874813.db2.gz AIVXUICPFOVGCC-AOIWGVFYSA-N 2 1 336.524 3.252 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cnn(C(C)C)c2)[C@H](C)C1 ZINC000164126199 454874816 /nfs/dbraw/zinc/87/48/16/454874816.db2.gz AIVXUICPFOVGCC-AOIWGVFYSA-N 2 1 336.524 3.252 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccs1 ZINC000177602531 454882444 /nfs/dbraw/zinc/88/24/44/454882444.db2.gz MBDKUPXHQMKDEB-WBVHZDCISA-N 2 1 349.544 3.122 20 0 EGADMP CCCC[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000164482247 454883514 /nfs/dbraw/zinc/88/35/14/454883514.db2.gz JEBDHTDTLFRGHW-GHTZIAJQSA-N 2 1 329.532 3.361 20 0 EGADMP CCCC[NH+]1CCC([NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000164482247 454883517 /nfs/dbraw/zinc/88/35/17/454883517.db2.gz JEBDHTDTLFRGHW-GHTZIAJQSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](Cc2cccc(C)c2)C2CC2)CC1 ZINC000154538701 454906016 /nfs/dbraw/zinc/90/60/16/454906016.db2.gz BGWZKUKBXZUKDM-JOCHJYFZSA-N 2 1 343.559 3.323 20 0 EGADMP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000165998157 454906339 /nfs/dbraw/zinc/90/63/39/454906339.db2.gz WULYBKUZSWBNJV-UZLBHIALSA-N 3 1 344.503 3.188 20 0 EGADMP C[C@@H]1C[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000166275423 454909982 /nfs/dbraw/zinc/90/99/82/454909982.db2.gz KXEZRBIIHMNXMG-UZLBHIALSA-N 2 1 345.506 3.047 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCc3c2cnn3C)c1 ZINC000177980265 454924830 /nfs/dbraw/zinc/92/48/30/454924830.db2.gz ZLBGCPPGFCPUCQ-IBGZPJMESA-N 2 1 326.488 3.428 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000151097381 454936718 /nfs/dbraw/zinc/93/67/18/454936718.db2.gz RNEWWALFUONOAF-ZWKOTPCHSA-N 3 1 333.520 3.010 20 0 EGADMP CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000151097381 454936721 /nfs/dbraw/zinc/93/67/21/454936721.db2.gz RNEWWALFUONOAF-ZWKOTPCHSA-N 2 1 333.520 3.010 20 0 EGADMP CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000151097381 454936725 /nfs/dbraw/zinc/93/67/25/454936725.db2.gz RNEWWALFUONOAF-ZWKOTPCHSA-N 2 1 333.520 3.010 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000114199299 454946854 /nfs/dbraw/zinc/94/68/54/454946854.db2.gz JUAABRCETXIGSR-QGZVFWFLSA-N 2 1 334.467 3.385 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000114199299 454946855 /nfs/dbraw/zinc/94/68/55/454946855.db2.gz JUAABRCETXIGSR-QGZVFWFLSA-N 2 1 334.467 3.385 20 0 EGADMP CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114455229 454955384 /nfs/dbraw/zinc/95/53/84/454955384.db2.gz ZJDDGXDHXGBINQ-QGZVFWFLSA-N 2 1 349.544 3.046 20 0 EGADMP CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114455229 454955389 /nfs/dbraw/zinc/95/53/89/454955389.db2.gz ZJDDGXDHXGBINQ-QGZVFWFLSA-N 2 1 349.544 3.046 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]2c2ccc[nH]2)CC1 ZINC000127373502 454959045 /nfs/dbraw/zinc/95/90/45/454959045.db2.gz LUINDNGLIBOIFW-NRFANRHFSA-N 2 1 338.499 3.494 20 0 EGADMP c1sc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1-c1ccncc1 ZINC000246474826 455496392 /nfs/dbraw/zinc/49/63/92/455496392.db2.gz QVOLFPDIGBJKLE-SJORKVTESA-N 2 1 342.512 3.354 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178700934 454967928 /nfs/dbraw/zinc/96/79/28/454967928.db2.gz KJDLBVDOKONFSE-CVEARBPZSA-N 2 1 342.487 3.397 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000179224879 455022207 /nfs/dbraw/zinc/02/22/07/455022207.db2.gz RYPHLSQDNGRXHQ-ZJUUUORDSA-N 2 1 343.294 3.397 20 0 EGADMP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]2CCCO[C@@H]21 ZINC000151783676 455030353 /nfs/dbraw/zinc/03/03/53/455030353.db2.gz QEYFKPFDLVQENM-AQNXPRMDSA-N 2 1 328.500 3.444 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000600974634 460662591 /nfs/dbraw/zinc/66/25/91/460662591.db2.gz QIBPIEMIACJCIK-LJQANCHMSA-N 2 1 329.488 3.485 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000600974634 460662598 /nfs/dbraw/zinc/66/25/98/460662598.db2.gz QIBPIEMIACJCIK-LJQANCHMSA-N 2 1 329.488 3.485 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000152390288 455111793 /nfs/dbraw/zinc/11/17/93/455111793.db2.gz FHQNWQUPGSFQOR-LSDHHAIUSA-N 2 1 342.487 3.105 20 0 EGADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc1OC(F)F ZINC000152404871 455113973 /nfs/dbraw/zinc/11/39/73/455113973.db2.gz GRKVRFOZCKCVII-STQMWFEESA-N 2 1 340.414 3.432 20 0 EGADMP Cc1ccccc1C1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CCOCC1 ZINC000152411604 455115464 /nfs/dbraw/zinc/11/54/64/455115464.db2.gz SCEYMCGAWXCYLM-CMKODMSKSA-N 2 1 330.516 3.362 20 0 EGADMP C[N@H+]1CCCC[C@@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657173 460665964 /nfs/dbraw/zinc/66/59/64/460665964.db2.gz KUTFAXOZLOFRDX-PMACEKPBSA-N 2 1 329.532 3.361 20 0 EGADMP C[NH+]1CCCC[C@@H](CN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657173 460665968 /nfs/dbraw/zinc/66/59/68/460665968.db2.gz KUTFAXOZLOFRDX-PMACEKPBSA-N 2 1 329.532 3.361 20 0 EGADMP C[NH+]1CCCC[C@@H](CN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657173 460665975 /nfs/dbraw/zinc/66/59/75/460665975.db2.gz KUTFAXOZLOFRDX-PMACEKPBSA-N 2 1 329.532 3.361 20 0 EGADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657173 460665979 /nfs/dbraw/zinc/66/59/79/460665979.db2.gz KUTFAXOZLOFRDX-PMACEKPBSA-N 2 1 329.532 3.361 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657173 460665984 /nfs/dbraw/zinc/66/59/84/460665984.db2.gz KUTFAXOZLOFRDX-PMACEKPBSA-N 2 1 329.532 3.361 20 0 EGADMP CCCC[C@H](CC)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156955027 455158533 /nfs/dbraw/zinc/15/85/33/455158533.db2.gz DDBVYIOECOXSGF-PMACEKPBSA-N 2 1 345.531 3.442 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000182805907 455168531 /nfs/dbraw/zinc/16/85/31/455168531.db2.gz ZMCGOAOGXBRJNE-JTDSTZFVSA-N 2 1 333.545 3.376 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000180524382 455189983 /nfs/dbraw/zinc/18/99/83/455189983.db2.gz PNNPRYJCJJWPKZ-HNNXBMFYSA-N 2 1 332.517 3.312 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000180524382 455189986 /nfs/dbraw/zinc/18/99/86/455189986.db2.gz PNNPRYJCJJWPKZ-HNNXBMFYSA-N 2 1 332.517 3.312 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000180524382 455189988 /nfs/dbraw/zinc/18/99/88/455189988.db2.gz PNNPRYJCJJWPKZ-HNNXBMFYSA-N 2 1 332.517 3.312 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000180524382 455189991 /nfs/dbraw/zinc/18/99/91/455189991.db2.gz PNNPRYJCJJWPKZ-HNNXBMFYSA-N 2 1 332.517 3.312 20 0 EGADMP COCCCOc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000264380606 455202087 /nfs/dbraw/zinc/20/20/87/455202087.db2.gz OFHXLDITXDTTGJ-INIZCTEOSA-N 2 1 331.460 3.033 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237668568 455205341 /nfs/dbraw/zinc/20/53/41/455205341.db2.gz QSYBZGNBCZVABW-IEBWSBKVSA-N 2 1 331.504 3.237 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@]3(C)CCCC[NH2+]3)cc2)C1 ZINC000237676157 455206740 /nfs/dbraw/zinc/20/67/40/455206740.db2.gz AOEKUMVNKFQYOF-OXJNMPFZSA-N 2 1 329.488 3.389 20 0 EGADMP COC(=O)c1ccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)o1 ZINC000181033097 455278625 /nfs/dbraw/zinc/27/86/25/455278625.db2.gz VUUOPKLBURHXIE-UHFFFAOYSA-N 2 1 330.428 3.196 20 0 EGADMP COC(=O)c1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)o1 ZINC000181033097 455278628 /nfs/dbraw/zinc/27/86/28/455278628.db2.gz VUUOPKLBURHXIE-UHFFFAOYSA-N 2 1 330.428 3.196 20 0 EGADMP CC(C)OC(=O)CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000173628392 455319097 /nfs/dbraw/zinc/31/90/97/455319097.db2.gz KOWKDWLBZDRISL-UHFFFAOYSA-N 2 1 332.488 3.172 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000183699964 455322345 /nfs/dbraw/zinc/32/23/45/455322345.db2.gz KQLQYNIOSGXSRR-UHFFFAOYSA-N 2 1 349.485 3.218 20 0 EGADMP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)n(-c2ccccc2)n1 ZINC000181531136 455350227 /nfs/dbraw/zinc/35/02/27/455350227.db2.gz BRMIUKCQXUZTBC-JQHSSLGASA-N 2 1 326.488 3.184 20 0 EGADMP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)n(-c2ccccc2)n1 ZINC000181531136 455350232 /nfs/dbraw/zinc/35/02/32/455350232.db2.gz BRMIUKCQXUZTBC-JQHSSLGASA-N 2 1 326.488 3.184 20 0 EGADMP CCN(C)c1ccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cn1 ZINC000190703301 455370246 /nfs/dbraw/zinc/37/02/46/455370246.db2.gz RHWFCUUSFABJBB-UHFFFAOYSA-N 2 1 326.488 3.149 20 0 EGADMP CCN(C)c1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cn1 ZINC000190703301 455370251 /nfs/dbraw/zinc/37/02/51/455370251.db2.gz RHWFCUUSFABJBB-UHFFFAOYSA-N 2 1 326.488 3.149 20 0 EGADMP O=C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCC1CCCCC1 ZINC000246276599 455462668 /nfs/dbraw/zinc/46/26/68/455462668.db2.gz AQTZNYDECWBXCW-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCC1CCCCC1 ZINC000246276599 455462674 /nfs/dbraw/zinc/46/26/74/455462674.db2.gz AQTZNYDECWBXCW-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCC1CCCCC1 ZINC000246276599 455462679 /nfs/dbraw/zinc/46/26/79/455462679.db2.gz AQTZNYDECWBXCW-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCC1CCCCC1 ZINC000246276599 455462683 /nfs/dbraw/zinc/46/26/83/455462683.db2.gz AQTZNYDECWBXCW-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000182248623 455471716 /nfs/dbraw/zinc/47/17/16/455471716.db2.gz KZYPREAMJCCPJH-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP CC[C@@H]1c2ccsc2CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000191445095 455485494 /nfs/dbraw/zinc/48/54/94/455485494.db2.gz YXQXJOIUWJBHKT-GOSISDBHSA-N 2 1 335.561 3.473 20 0 EGADMP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCC1)c1ccccc1 ZINC000601007945 460673899 /nfs/dbraw/zinc/67/38/99/460673899.db2.gz SNMKWTMQOCRZAY-MJGOQNOKSA-N 2 1 343.515 3.251 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182646577 455559964 /nfs/dbraw/zinc/55/99/64/455559964.db2.gz QNPIHLBIRZJPER-YESZJQIVSA-N 2 1 339.524 3.096 20 0 EGADMP Cc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000247138894 455564738 /nfs/dbraw/zinc/56/47/38/455564738.db2.gz WBGGPKDBIBWELF-UKAVVXHISA-N 2 1 329.532 3.450 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000185494562 455568148 /nfs/dbraw/zinc/56/81/48/455568148.db2.gz UFJUMZMZTQUVRO-INIZCTEOSA-N 2 1 332.517 3.412 20 0 EGADMP CC[N@H+]1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)C1 ZINC000247231400 455576295 /nfs/dbraw/zinc/57/62/95/455576295.db2.gz YHYVEJUPXMVAEM-RXVVDRJESA-N 2 1 329.532 3.013 20 0 EGADMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000182758665 455582026 /nfs/dbraw/zinc/58/20/26/455582026.db2.gz VMHPHYVRPNJYQN-LJQANCHMSA-N 2 1 349.494 3.186 20 0 EGADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000247361601 455591970 /nfs/dbraw/zinc/59/19/70/455591970.db2.gz QOJSJFDDERFDNG-HOTGVXAUSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000247361601 455591973 /nfs/dbraw/zinc/59/19/73/455591973.db2.gz QOJSJFDDERFDNG-HOTGVXAUSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000268110150 455593047 /nfs/dbraw/zinc/59/30/47/455593047.db2.gz MAFDZERYLWTGID-LJQANCHMSA-N 2 1 347.478 3.351 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000277561313 455598236 /nfs/dbraw/zinc/59/82/36/455598236.db2.gz PKXFXOYFCFFQFU-HXUWFJFHSA-N 2 1 341.499 3.029 20 0 EGADMP C[C@H](NCC(=O)N(C)C1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185702307 455601167 /nfs/dbraw/zinc/60/11/67/455601167.db2.gz HWHDBESCSSRRMK-DLBZAZTESA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185702307 455601170 /nfs/dbraw/zinc/60/11/70/455601170.db2.gz HWHDBESCSSRRMK-DLBZAZTESA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185702307 455601174 /nfs/dbraw/zinc/60/11/74/455601174.db2.gz HWHDBESCSSRRMK-DLBZAZTESA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCCCCC1 ZINC000247466346 455605661 /nfs/dbraw/zinc/60/56/61/455605661.db2.gz RKHVQIZFDANHGM-AABGKKOBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000271471538 455649590 /nfs/dbraw/zinc/64/95/90/455649590.db2.gz IJBBDOQZWIQVDH-RSPOEFSDSA-N 2 1 341.503 3.027 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000271471538 455649594 /nfs/dbraw/zinc/64/95/94/455649594.db2.gz IJBBDOQZWIQVDH-RSPOEFSDSA-N 2 1 341.503 3.027 20 0 EGADMP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1cccc(OC)c1 ZINC000247892864 455653927 /nfs/dbraw/zinc/65/39/27/455653927.db2.gz FVRCKKKUKPTYRT-YYWHXJBOSA-N 2 1 347.547 3.398 20 0 EGADMP Cc1ccc(C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C2CC2)cc1 ZINC000247990309 455665722 /nfs/dbraw/zinc/66/57/22/455665722.db2.gz JHBSXUVUZIFRTG-LEWJYISDSA-N 2 1 330.516 3.143 20 0 EGADMP CCOc1cc(CCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1OC ZINC000247989506 455666531 /nfs/dbraw/zinc/66/65/31/455666531.db2.gz JEQCJUONHGWZOG-JFIYKMOQSA-N 2 1 334.504 3.345 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000277818752 455676487 /nfs/dbraw/zinc/67/64/87/455676487.db2.gz QQMNYNFSSOJARZ-HXUWFJFHSA-N 2 1 330.516 3.178 20 0 EGADMP CC[C@H](Cc1ccccc1Br)[NH2+]C1CC[NH+](C)CC1 ZINC000271563575 455685313 /nfs/dbraw/zinc/68/53/13/455685313.db2.gz XYSKDFRHVXNZPC-CQSZACIVSA-N 2 1 325.294 3.454 20 0 EGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1F ZINC000248200501 455698331 /nfs/dbraw/zinc/69/83/31/455698331.db2.gz YNJHYJAIPULZOI-YJBOKZPZSA-N 2 1 326.431 3.242 20 0 EGADMP O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000268751097 455713053 /nfs/dbraw/zinc/71/30/53/455713053.db2.gz CJMMVYGSYPIJOF-NSQQOSNVSA-N 2 1 339.483 3.036 20 0 EGADMP O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000268751097 455713057 /nfs/dbraw/zinc/71/30/57/455713057.db2.gz CJMMVYGSYPIJOF-NSQQOSNVSA-N 2 1 339.483 3.036 20 0 EGADMP CC(C)(C)OC(=O)CCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248462796 455716571 /nfs/dbraw/zinc/71/65/71/455716571.db2.gz QEMLVPMHQPRABV-FUHWJXTLSA-N 2 1 336.520 3.447 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(C)ccc4ccccc43)C2)CC1 ZINC000268888377 455719852 /nfs/dbraw/zinc/71/98/52/455719852.db2.gz JGFDOJSRHKSAEY-FQEVSTJZSA-N 2 1 337.511 3.360 20 0 EGADMP COC(=O)c1cc([C@@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)oc1C ZINC000292780791 455755243 /nfs/dbraw/zinc/75/52/43/455755243.db2.gz ZBHXXRGEGIPCTM-DOMZBBRYSA-N 2 1 331.416 3.105 20 0 EGADMP COC(=O)c1cc([C@@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)oc1C ZINC000292780791 455755247 /nfs/dbraw/zinc/75/52/47/455755247.db2.gz ZBHXXRGEGIPCTM-DOMZBBRYSA-N 2 1 331.416 3.105 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cccc(N2CCCC2=O)c1 ZINC000271789513 455760485 /nfs/dbraw/zinc/76/04/85/455760485.db2.gz JUBPGOACLFOUKF-WMZOPIPTSA-N 2 1 329.488 3.338 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cccc(N2CCCC2=O)c1 ZINC000271789513 455760489 /nfs/dbraw/zinc/76/04/89/455760489.db2.gz JUBPGOACLFOUKF-WMZOPIPTSA-N 2 1 329.488 3.338 20 0 EGADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000249744139 455771885 /nfs/dbraw/zinc/77/18/85/455771885.db2.gz BKDSTCHPAKNSSV-SQNIBIBYSA-N 2 1 345.531 3.311 20 0 EGADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000249740835 455772149 /nfs/dbraw/zinc/77/21/49/455772149.db2.gz XUJSTOYVIMFJCZ-QGZVFWFLSA-N 2 1 343.515 3.019 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000186491274 455780801 /nfs/dbraw/zinc/78/08/01/455780801.db2.gz WPYRKSHLQNXXKL-VQIMIIECSA-N 2 1 342.487 3.204 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000249935775 455783864 /nfs/dbraw/zinc/78/38/64/455783864.db2.gz SBXRRGGRMJAEBJ-LPHOPBHVSA-N 2 1 335.923 3.155 20 0 EGADMP COc1cc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)ccc1OC(F)F ZINC000271878969 455797136 /nfs/dbraw/zinc/79/71/36/455797136.db2.gz OXBNXDUVKCPMRG-LBPRGKRZSA-N 2 1 326.387 3.209 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000616992321 460691779 /nfs/dbraw/zinc/69/17/79/460691779.db2.gz ROZJKGLOKSTZCE-SFHVURJKSA-N 2 1 345.531 3.379 20 0 EGADMP Fc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000252674116 455827895 /nfs/dbraw/zinc/82/78/95/455827895.db2.gz OZQKAOCPVYUVEA-OLZOCXBDSA-N 2 1 327.241 3.305 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000252696222 455828524 /nfs/dbraw/zinc/82/85/24/455828524.db2.gz XOLVEYXOTWUOQE-JENIJYKNSA-N 2 1 329.488 3.047 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)c2cc1C ZINC000285365381 455831199 /nfs/dbraw/zinc/83/11/99/455831199.db2.gz BTFRZRSBAMQOKJ-JWTNVVGKSA-N 2 1 340.467 3.467 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)c2cc1C ZINC000285365381 455831204 /nfs/dbraw/zinc/83/12/04/455831204.db2.gz BTFRZRSBAMQOKJ-JWTNVVGKSA-N 2 1 340.467 3.467 20 0 EGADMP Cc1cc2oc(=O)cc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2cc1C ZINC000285365381 455831205 /nfs/dbraw/zinc/83/12/05/455831205.db2.gz BTFRZRSBAMQOKJ-JWTNVVGKSA-N 2 1 340.467 3.467 20 0 EGADMP Cc1cc2oc(=O)cc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2cc1C ZINC000285365381 455831208 /nfs/dbraw/zinc/83/12/08/455831208.db2.gz BTFRZRSBAMQOKJ-JWTNVVGKSA-N 2 1 340.467 3.467 20 0 EGADMP Cc1cnn(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000285445108 455847642 /nfs/dbraw/zinc/84/76/42/455847642.db2.gz LRCGCXHBPHIORP-QGZVFWFLSA-N 2 1 326.488 3.393 20 0 EGADMP C[C@H](C[S@](C)=O)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000285490281 455857050 /nfs/dbraw/zinc/85/70/50/455857050.db2.gz AHBMSKPEKOERHG-KXJGTOPRSA-N 2 1 348.556 3.034 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000187009329 455862160 /nfs/dbraw/zinc/86/21/60/455862160.db2.gz ACDUKMCFUIIPOU-DNVCBOLYSA-N 2 1 340.458 3.234 20 0 EGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)C3CC[NH+](C4CC4)CC3)c2C1 ZINC000194787299 455884042 /nfs/dbraw/zinc/88/40/42/455884042.db2.gz KCZXAAHKNOITOF-UHFFFAOYSA-N 2 1 341.499 3.471 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000285638718 455887126 /nfs/dbraw/zinc/88/71/26/455887126.db2.gz ZEVRZJINXKLBSF-NRFANRHFSA-N 2 1 346.515 3.123 20 0 EGADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC000261468576 455905667 /nfs/dbraw/zinc/90/56/67/455905667.db2.gz WPPBIAHVBHTMCZ-HXUWFJFHSA-N 2 1 329.532 3.196 20 0 EGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC000261468576 455905672 /nfs/dbraw/zinc/90/56/72/455905672.db2.gz WPPBIAHVBHTMCZ-HXUWFJFHSA-N 2 1 329.532 3.196 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272307520 455909737 /nfs/dbraw/zinc/90/97/37/455909737.db2.gz IDFXZKZSRCJZRL-BJLQDIEVSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261619928 455915326 /nfs/dbraw/zinc/91/53/26/455915326.db2.gz GGYRMEHXHFRZJP-GXTWGEPZSA-N 2 1 328.287 3.034 20 0 EGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261619928 455915332 /nfs/dbraw/zinc/91/53/32/455915332.db2.gz GGYRMEHXHFRZJP-GXTWGEPZSA-N 2 1 328.287 3.034 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000285786671 455915899 /nfs/dbraw/zinc/91/58/99/455915899.db2.gz UKLQZSJLPKXSTO-ZWKOTPCHSA-N 2 1 341.503 3.430 20 0 EGADMP CC[NH2+]CC1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000261676562 455926885 /nfs/dbraw/zinc/92/68/85/455926885.db2.gz HOKKYRSSKHILMJ-UHFFFAOYSA-N 2 1 334.851 3.212 20 0 EGADMP Clc1cccc(Cl)c1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261910004 455969485 /nfs/dbraw/zinc/96/94/85/455969485.db2.gz IVBBIKMTOBKBDK-KBRIMQKVSA-N 2 1 343.298 3.283 20 0 EGADMP C[NH2+]CCC1CC[NH+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000261992260 455983248 /nfs/dbraw/zinc/98/32/48/455983248.db2.gz MHPVROWYPHAJBV-GOSISDBHSA-N 2 1 349.906 3.157 20 0 EGADMP COc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)[C@@H](C)C2CC2)c(OC)c1 ZINC000262039432 455989137 /nfs/dbraw/zinc/98/91/37/455989137.db2.gz YEKOHLRQFRXSLN-HOTGVXAUSA-N 2 1 332.488 3.304 20 0 EGADMP CCC[NH2+][C@@H](C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000296612721 455989298 /nfs/dbraw/zinc/98/92/98/455989298.db2.gz ZJBINJDYMBWDBN-HNNXBMFYSA-N 2 1 328.460 3.381 20 0 EGADMP Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272552996 455991755 /nfs/dbraw/zinc/99/17/55/455991755.db2.gz SUTYRUGQTMHDEG-LQWHRVPQSA-N 2 1 340.515 3.328 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272552996 455991760 /nfs/dbraw/zinc/99/17/60/455991760.db2.gz SUTYRUGQTMHDEG-LQWHRVPQSA-N 3 1 340.515 3.328 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272552996 455991766 /nfs/dbraw/zinc/99/17/66/455991766.db2.gz SUTYRUGQTMHDEG-LQWHRVPQSA-N 3 1 340.515 3.328 20 0 EGADMP C[C@@H](CO[C@@H]1CCOC1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286188343 455996424 /nfs/dbraw/zinc/99/64/24/455996424.db2.gz RDIWCWCRVMYLSC-VWEINGBSSA-N 2 1 346.515 3.213 20 0 EGADMP COCc1cccc(OCC2(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)CCC2)c1 ZINC000262196497 456010587 /nfs/dbraw/zinc/01/05/87/456010587.db2.gz ZOZFWYFLEIEQJL-IBGZPJMESA-N 2 1 346.515 3.456 20 0 EGADMP OCCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCCC1 ZINC000272608839 456013216 /nfs/dbraw/zinc/01/32/16/456013216.db2.gz VSVRRUZENPWLBV-NJDAHSKKSA-N 2 1 342.527 3.429 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000286299345 456019104 /nfs/dbraw/zinc/01/91/04/456019104.db2.gz WOZLGXGQHYGNLS-ANULTFPQSA-N 2 1 328.500 3.303 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@@H](O)c1c(F)cccc1F ZINC000272814595 456078880 /nfs/dbraw/zinc/07/88/80/456078880.db2.gz BGGBIQBTNZOAFB-FUHWJXTLSA-N 2 1 326.431 3.239 20 0 EGADMP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1=CC[N@@H+](C)CC1 ZINC000272988844 456136847 /nfs/dbraw/zinc/13/68/47/456136847.db2.gz PTQZIFHORLDSRJ-QGZVFWFLSA-N 2 1 341.499 3.053 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000273024481 456149197 /nfs/dbraw/zinc/14/91/97/456149197.db2.gz XGNVHYSSAVGFOS-UWJYYQICSA-N 2 1 340.442 3.169 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)c2C1 ZINC000236812086 456187527 /nfs/dbraw/zinc/18/75/27/456187527.db2.gz UILIVOVWVOGMMQ-JKSUJKDBSA-N 2 1 329.488 3.377 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)c2C1 ZINC000236812086 456187530 /nfs/dbraw/zinc/18/75/30/456187530.db2.gz UILIVOVWVOGMMQ-JKSUJKDBSA-N 2 1 329.488 3.377 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2nccc(N(C)C)n2)C1 ZINC000301715576 456195554 /nfs/dbraw/zinc/19/55/54/456195554.db2.gz GQYQKYJFKPFXOZ-INIZCTEOSA-N 2 1 339.487 3.387 20 0 EGADMP C[C@H]1CCC[N@H+](Cc2ccccc2CNc2nc(N(C)C)cc[nH+]2)C1 ZINC000301715576 456195559 /nfs/dbraw/zinc/19/55/59/456195559.db2.gz GQYQKYJFKPFXOZ-INIZCTEOSA-N 2 1 339.487 3.387 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2nc(N(C)C)cc[nH+]2)C1 ZINC000301715576 456195567 /nfs/dbraw/zinc/19/55/67/456195567.db2.gz GQYQKYJFKPFXOZ-INIZCTEOSA-N 2 1 339.487 3.387 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC2CC[NH+](CC)CC2)cc1)C(C)C ZINC000263699097 456195691 /nfs/dbraw/zinc/19/56/91/456195691.db2.gz RUCRHGJNSRVRII-UHFFFAOYSA-N 2 1 331.504 3.131 20 0 EGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297369932 456201931 /nfs/dbraw/zinc/20/19/31/456201931.db2.gz HNZFENDDLXDXFG-IBGZPJMESA-N 3 1 330.520 3.151 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000273181733 456203768 /nfs/dbraw/zinc/20/37/68/456203768.db2.gz OLHVMJQSSXLLFZ-LJQANCHMSA-N 2 1 347.547 3.380 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000273189368 456208084 /nfs/dbraw/zinc/20/80/84/456208084.db2.gz HUUAVXUZTKGJJQ-INIZCTEOSA-N 2 1 333.520 3.310 20 0 EGADMP CCc1oc2ccccc2c1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000237090093 456230002 /nfs/dbraw/zinc/23/00/02/456230002.db2.gz SGGRCOOFOVEUOG-UHFFFAOYSA-N 2 1 329.488 3.112 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1nc(-c3ccc(Cl)cc3)no1)CC[NH2+]CC2 ZINC000333579160 456236854 /nfs/dbraw/zinc/23/68/54/456236854.db2.gz NQAIPUREYCOJRN-ZDUSSCGKSA-N 2 1 346.862 3.354 20 0 EGADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000635253887 460721886 /nfs/dbraw/zinc/72/18/86/460721886.db2.gz OACNRNRYNYURSK-LJQANCHMSA-N 2 1 329.488 3.484 20 0 EGADMP CC(C)c1nc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(N(C)C)n1 ZINC000302061872 456277960 /nfs/dbraw/zinc/27/79/60/456277960.db2.gz UDINRCUCSRUKIT-GJZGRUSLSA-N 2 1 346.523 3.126 20 0 EGADMP C[C@H](CCNCc1ncc(C[NH+](C)C)s1)[N@H+](C)Cc1ccccc1 ZINC000352761559 456284129 /nfs/dbraw/zinc/28/41/29/456284129.db2.gz YEQTUNZALBTACU-MRXNPFEDSA-N 2 1 346.544 3.205 20 0 EGADMP C[C@H](CCNCc1ncc(C[NH+](C)C)s1)[N@@H+](C)Cc1ccccc1 ZINC000352761559 456284131 /nfs/dbraw/zinc/28/41/31/456284131.db2.gz YEQTUNZALBTACU-MRXNPFEDSA-N 2 1 346.544 3.205 20 0 EGADMP C[C@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000275760607 456306378 /nfs/dbraw/zinc/30/63/78/456306378.db2.gz SUUJOKQMAXMTCY-NYVOZVTQSA-N 2 1 338.495 3.233 20 0 EGADMP C[C@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000275760607 456306381 /nfs/dbraw/zinc/30/63/81/456306381.db2.gz SUUJOKQMAXMTCY-NYVOZVTQSA-N 2 1 338.495 3.233 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CCN1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824809 456339095 /nfs/dbraw/zinc/33/90/95/456339095.db2.gz NGOBKBJSLYUARB-FGZHOGPDSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352824809 456339099 /nfs/dbraw/zinc/33/90/99/456339099.db2.gz NGOBKBJSLYUARB-FGZHOGPDSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352824809 456339101 /nfs/dbraw/zinc/33/91/01/456339101.db2.gz NGOBKBJSLYUARB-FGZHOGPDSA-N 2 1 341.543 3.459 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc2c(c1)ncn2C ZINC000290492765 456343123 /nfs/dbraw/zinc/34/31/23/456343123.db2.gz OQZBXOIZJPQKEN-UHFFFAOYSA-N 2 1 325.460 3.244 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc2c(c1)ncn2C ZINC000290492765 456343130 /nfs/dbraw/zinc/34/31/30/456343130.db2.gz OQZBXOIZJPQKEN-UHFFFAOYSA-N 2 1 325.460 3.244 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000290544543 456359201 /nfs/dbraw/zinc/35/92/01/456359201.db2.gz RLJDGSMIUZEFKA-MAUKXSAKSA-N 2 1 326.444 3.041 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000290544543 456359207 /nfs/dbraw/zinc/35/92/07/456359207.db2.gz RLJDGSMIUZEFKA-MAUKXSAKSA-N 2 1 326.444 3.041 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000290544543 456359213 /nfs/dbraw/zinc/35/92/13/456359213.db2.gz RLJDGSMIUZEFKA-MAUKXSAKSA-N 2 1 326.444 3.041 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000290544543 456359217 /nfs/dbraw/zinc/35/92/17/456359217.db2.gz RLJDGSMIUZEFKA-MAUKXSAKSA-N 2 1 326.444 3.041 20 0 EGADMP C[C@H]1CN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+](C2CCC2)C1 ZINC000298144482 456374124 /nfs/dbraw/zinc/37/41/24/456374124.db2.gz QZXXGPCDMVDYOE-WIYYLYMNSA-N 2 1 327.516 3.067 20 0 EGADMP C[C@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+](C2CCC2)C1 ZINC000298144482 456374132 /nfs/dbraw/zinc/37/41/32/456374132.db2.gz QZXXGPCDMVDYOE-WIYYLYMNSA-N 2 1 327.516 3.067 20 0 EGADMP CC[C@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000337568510 456387952 /nfs/dbraw/zinc/38/79/52/456387952.db2.gz BJYZBEYTEYYKNK-UXHICEINSA-N 2 1 345.531 3.055 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343093231 456401778 /nfs/dbraw/zinc/40/17/78/456401778.db2.gz GVJXGUOHQPKOLP-IBGZPJMESA-N 2 1 335.923 3.335 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CCCC13CCOCC3)C2 ZINC000282091200 456410477 /nfs/dbraw/zinc/41/04/77/456410477.db2.gz IEMOQNMXWDLBMU-FQEVSTJZSA-N 2 1 328.500 3.374 20 0 EGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CCCC13CCOCC3)C2 ZINC000282091200 456410483 /nfs/dbraw/zinc/41/04/83/456410483.db2.gz IEMOQNMXWDLBMU-FQEVSTJZSA-N 2 1 328.500 3.374 20 0 EGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1C(F)(F)F ZINC000282203719 456443530 /nfs/dbraw/zinc/44/35/30/456443530.db2.gz GZOYEZLNEZBOIO-CQSZACIVSA-N 2 1 343.437 3.382 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1(C)C ZINC000282222737 456447868 /nfs/dbraw/zinc/44/78/68/456447868.db2.gz IBYZCZLVJNEIHA-RBUKOAKNSA-N 2 1 329.532 3.184 20 0 EGADMP Clc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000340419845 456449272 /nfs/dbraw/zinc/44/92/72/456449272.db2.gz YMFAHMZHABUWAS-IAGOWNOFSA-N 2 1 330.863 3.447 20 0 EGADMP Clc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000340419845 456449279 /nfs/dbraw/zinc/44/92/79/456449279.db2.gz YMFAHMZHABUWAS-IAGOWNOFSA-N 2 1 330.863 3.447 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)C[C@H](C)O1 ZINC000353059497 456466765 /nfs/dbraw/zinc/46/67/65/456466765.db2.gz WNVXPLKHHFBRHZ-HRQSHJORSA-N 2 1 328.500 3.364 20 0 EGADMP CCCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000340490687 456488965 /nfs/dbraw/zinc/48/89/65/456488965.db2.gz OSYODIIBJOIFOG-QZTJIDSGSA-N 2 1 345.531 3.455 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)nc1 ZINC000282376560 456493595 /nfs/dbraw/zinc/49/35/95/456493595.db2.gz CODLFVOYTYBCQM-HXUWFJFHSA-N 2 1 339.483 3.481 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCO[C@@H]1CCCCO1 ZINC000282371829 456494323 /nfs/dbraw/zinc/49/43/23/456494323.db2.gz CEDKDTUVVZHNIZ-WOJBJXKFSA-N 2 1 346.515 3.420 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCO[C@@H]1CCCCO1 ZINC000282371829 456494328 /nfs/dbraw/zinc/49/43/28/456494328.db2.gz CEDKDTUVVZHNIZ-WOJBJXKFSA-N 2 1 346.515 3.420 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000340508019 456498946 /nfs/dbraw/zinc/49/89/46/456498946.db2.gz NWPFIBGWELDUNI-KVPLUYHFSA-N 2 1 343.515 3.153 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000340508019 456498953 /nfs/dbraw/zinc/49/89/53/456498953.db2.gz NWPFIBGWELDUNI-KVPLUYHFSA-N 2 1 343.515 3.153 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000340508015 456499802 /nfs/dbraw/zinc/49/98/02/456499802.db2.gz NWPFIBGWELDUNI-BWPNAZKDSA-N 2 1 343.515 3.153 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000340508015 456499810 /nfs/dbraw/zinc/49/98/10/456499810.db2.gz NWPFIBGWELDUNI-BWPNAZKDSA-N 2 1 343.515 3.153 20 0 EGADMP CC(C)[C@H](Cn1cccn1)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000340523437 456509137 /nfs/dbraw/zinc/50/91/37/456509137.db2.gz DEHHOONHSPMSPJ-QUCCMNQESA-N 2 1 328.504 3.408 20 0 EGADMP COc1ncccc1CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000353142938 456519647 /nfs/dbraw/zinc/51/96/47/456519647.db2.gz AVPDODHWKMWPMP-UHFFFAOYSA-N 2 1 341.499 3.381 20 0 EGADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(F)ccc1F ZINC000282516786 456538905 /nfs/dbraw/zinc/53/89/05/456538905.db2.gz ZJTBKXDQBWKCPS-KRWDZBQOSA-N 2 1 325.447 3.032 20 0 EGADMP Cn1cc(CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(C(F)F)n1 ZINC000291185352 456556830 /nfs/dbraw/zinc/55/68/30/456556830.db2.gz LIKDYIZCSBPBRB-MRXNPFEDSA-N 2 1 348.441 3.012 20 0 EGADMP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c(C(F)F)n1 ZINC000291185352 456556835 /nfs/dbraw/zinc/55/68/35/456556835.db2.gz LIKDYIZCSBPBRB-MRXNPFEDSA-N 2 1 348.441 3.012 20 0 EGADMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(C(F)F)n1 ZINC000291185352 456556840 /nfs/dbraw/zinc/55/68/40/456556840.db2.gz LIKDYIZCSBPBRB-MRXNPFEDSA-N 2 1 348.441 3.012 20 0 EGADMP Cn1cc(CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(C(F)F)n1 ZINC000291185348 456557908 /nfs/dbraw/zinc/55/79/08/456557908.db2.gz LIKDYIZCSBPBRB-INIZCTEOSA-N 2 1 348.441 3.012 20 0 EGADMP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(C(F)F)n1 ZINC000291185348 456557912 /nfs/dbraw/zinc/55/79/12/456557912.db2.gz LIKDYIZCSBPBRB-INIZCTEOSA-N 2 1 348.441 3.012 20 0 EGADMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(C(F)F)n1 ZINC000291185348 456557914 /nfs/dbraw/zinc/55/79/14/456557914.db2.gz LIKDYIZCSBPBRB-INIZCTEOSA-N 2 1 348.441 3.012 20 0 EGADMP CCc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC000307770140 456570443 /nfs/dbraw/zinc/57/04/43/456570443.db2.gz LUCJTNCYFPGWHX-FQEVSTJZSA-N 2 1 325.456 3.347 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000282632370 456576038 /nfs/dbraw/zinc/57/60/38/456576038.db2.gz JTSSISOTXZFNAB-HXUWFJFHSA-N 2 1 333.495 3.379 20 0 EGADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000310139110 456580367 /nfs/dbraw/zinc/58/03/67/456580367.db2.gz MRIGONYSZPOZEI-SSSFQFABSA-N 2 1 328.500 3.444 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282744544 456611059 /nfs/dbraw/zinc/61/10/59/456611059.db2.gz NIKGAFDSOPNEDH-SFHVURJKSA-N 2 1 333.863 3.226 20 0 EGADMP O=C(CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1 ZINC000348324269 456623438 /nfs/dbraw/zinc/62/34/38/456623438.db2.gz PFHJLPNEEJVKIP-BGYRXZFFSA-N 2 1 349.478 3.079 20 0 EGADMP O=C(CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1 ZINC000348324269 456623446 /nfs/dbraw/zinc/62/34/46/456623446.db2.gz PFHJLPNEEJVKIP-BGYRXZFFSA-N 2 1 349.478 3.079 20 0 EGADMP O=C(CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1 ZINC000348324269 456623453 /nfs/dbraw/zinc/62/34/53/456623453.db2.gz PFHJLPNEEJVKIP-BGYRXZFFSA-N 2 1 349.478 3.079 20 0 EGADMP COC1(C[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCCC2)CCOCC1 ZINC000276937828 456625788 /nfs/dbraw/zinc/62/57/88/456625788.db2.gz ACXSRZWDSKCZNH-GOSISDBHSA-N 2 1 346.515 3.435 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(Cl)oc4ccccc43)C2)CC1 ZINC000353328123 456641114 /nfs/dbraw/zinc/64/11/14/456641114.db2.gz GTSKNIOZOPRJFW-OAHLLOKOSA-N 2 1 347.890 3.298 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000337997451 456644096 /nfs/dbraw/zinc/64/40/96/456644096.db2.gz DZBYYWNNWGEUMI-UHFFFAOYSA-N 2 1 331.504 3.134 20 0 EGADMP COC1(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CCOCC1 ZINC000277055411 456665155 /nfs/dbraw/zinc/66/51/55/456665155.db2.gz QTGNWJQANDXYDG-GOSISDBHSA-N 2 1 346.515 3.204 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353389346 456668029 /nfs/dbraw/zinc/66/80/29/456668029.db2.gz VFFFCMJGEXNUSX-AQNXPRMDSA-N 2 1 342.462 3.282 20 0 EGADMP CCNC(=O)C1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCC1 ZINC000277083402 456675775 /nfs/dbraw/zinc/67/57/75/456675775.db2.gz FWOWMRZZISALLL-HNNXBMFYSA-N 2 1 340.471 3.138 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1ccc2c(c1)CCO2 ZINC000277110160 456683767 /nfs/dbraw/zinc/68/37/67/456683767.db2.gz HCUHKMDOVVGINR-UHFFFAOYSA-N 2 1 327.472 3.335 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1ccc2c(c1)CCO2 ZINC000277110160 456683776 /nfs/dbraw/zinc/68/37/76/456683776.db2.gz HCUHKMDOVVGINR-UHFFFAOYSA-N 2 1 327.472 3.335 20 0 EGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCO[C@@H]3CCCCO3)C2)CC1 ZINC000338238620 456725102 /nfs/dbraw/zinc/72/51/02/456725102.db2.gz UBNRENRRSJZTOO-VQTJNVASSA-N 2 1 338.536 3.364 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(F)cc2C(F)(F)F)CCCO1 ZINC000277250256 456744034 /nfs/dbraw/zinc/74/40/34/456744034.db2.gz ABAGEFFQEQZUGR-ZDUSSCGKSA-N 2 1 348.384 3.435 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(F)cc2C(F)(F)F)CCCO1 ZINC000277250256 456744038 /nfs/dbraw/zinc/74/40/38/456744038.db2.gz ABAGEFFQEQZUGR-ZDUSSCGKSA-N 2 1 348.384 3.435 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@H+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000283270561 456748200 /nfs/dbraw/zinc/74/82/00/456748200.db2.gz WQBOVQISFRBHMO-QFIPXVFZSA-N 2 1 349.522 3.488 20 0 EGADMP Cc1cccc([C@H]2CC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)c1 ZINC000283470660 456786659 /nfs/dbraw/zinc/78/66/59/456786659.db2.gz ZNDSXWNXLNWELY-NRFANRHFSA-N 2 1 329.532 3.200 20 0 EGADMP Cc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc(N2CCCC2)n1 ZINC000353624359 456811273 /nfs/dbraw/zinc/81/12/73/456811273.db2.gz POWRBLRSUZVKBO-UHFFFAOYSA-N 2 1 330.520 3.343 20 0 EGADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000353676335 456848725 /nfs/dbraw/zinc/84/87/25/456848725.db2.gz XIEQUVNVLMTISX-OAADDMNDSA-N 3 1 341.543 3.359 20 0 EGADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000349208346 456913362 /nfs/dbraw/zinc/91/33/62/456913362.db2.gz LSQMJZITUCVLGF-VQIMIIECSA-N 2 1 343.515 3.076 20 0 EGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000339069749 456926168 /nfs/dbraw/zinc/92/61/68/456926168.db2.gz VIBIGKPVYAEQRK-WOJBJXKFSA-N 2 1 327.516 3.040 20 0 EGADMP CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000339069749 456926172 /nfs/dbraw/zinc/92/61/72/456926172.db2.gz VIBIGKPVYAEQRK-WOJBJXKFSA-N 2 1 327.516 3.040 20 0 EGADMP CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000339069749 456926177 /nfs/dbraw/zinc/92/61/77/456926177.db2.gz VIBIGKPVYAEQRK-WOJBJXKFSA-N 2 1 327.516 3.040 20 0 EGADMP CC(C)(CN[C@@H]1CC[NH+]2CCC[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000339069749 456926180 /nfs/dbraw/zinc/92/61/80/456926180.db2.gz VIBIGKPVYAEQRK-WOJBJXKFSA-N 2 1 327.516 3.040 20 0 EGADMP CC(C)(CN[C@@H]1CC[NH+]2CCC[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000339069749 456926186 /nfs/dbraw/zinc/92/61/86/456926186.db2.gz VIBIGKPVYAEQRK-WOJBJXKFSA-N 2 1 327.516 3.040 20 0 EGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cnn4ccccc34)CC2)C1 ZINC000353891871 456953776 /nfs/dbraw/zinc/95/37/76/456953776.db2.gz YNJKNRUJBYEIKK-VQIMIIECSA-N 2 1 326.488 3.467 20 0 EGADMP CC[N@H+](Cc1cc(Br)ccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000345184869 456958214 /nfs/dbraw/zinc/95/82/14/456958214.db2.gz YJFVGUQNXSDJRE-HNNXBMFYSA-N 2 1 341.293 3.422 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000341856683 456973645 /nfs/dbraw/zinc/97/36/45/456973645.db2.gz ZFRXDFULEFNEBX-APWZRJJASA-N 2 1 329.488 3.055 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2CCC(OC)CC2)[C@H](C)C1 ZINC000349686859 457017469 /nfs/dbraw/zinc/01/74/69/457017469.db2.gz YBDVJOICEPBMRC-YNIZLOQISA-N 2 1 340.552 3.308 20 0 EGADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)CC(C)(C)C ZINC000339252567 457019244 /nfs/dbraw/zinc/01/92/44/457019244.db2.gz GIABKHYDUBABKQ-UHFFFAOYSA-N 2 1 349.544 3.152 20 0 EGADMP CC[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000339265908 457029436 /nfs/dbraw/zinc/02/94/36/457029436.db2.gz QIBPMFJAFUFDLC-LJQANCHMSA-N 2 1 345.531 3.276 20 0 EGADMP CCCn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000356536045 457042933 /nfs/dbraw/zinc/04/29/33/457042933.db2.gz YBHSOKLSPPHNTE-NHCUHLMSSA-N 2 1 338.499 3.247 20 0 EGADMP CCCn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000356536045 457042938 /nfs/dbraw/zinc/04/29/38/457042938.db2.gz YBHSOKLSPPHNTE-NHCUHLMSSA-N 2 1 338.499 3.247 20 0 EGADMP CCCn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000356536045 457042942 /nfs/dbraw/zinc/04/29/42/457042942.db2.gz YBHSOKLSPPHNTE-NHCUHLMSSA-N 2 1 338.499 3.247 20 0 EGADMP CCCn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000356536045 457042947 /nfs/dbraw/zinc/04/29/47/457042947.db2.gz YBHSOKLSPPHNTE-NHCUHLMSSA-N 2 1 338.499 3.247 20 0 EGADMP CC[C@H](C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000359169469 457061752 /nfs/dbraw/zinc/06/17/52/457061752.db2.gz CFZDJJTWQLYSPB-FUHIMQAGSA-N 2 1 345.531 3.121 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCc2ccncc2)C1 ZINC000354099203 457062249 /nfs/dbraw/zinc/06/22/49/457062249.db2.gz BXXHLRIOOXGKJH-IBGZPJMESA-N 2 1 339.483 3.434 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCc2ccncc2)C1 ZINC000354099203 457062255 /nfs/dbraw/zinc/06/22/55/457062255.db2.gz BXXHLRIOOXGKJH-IBGZPJMESA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OCc2ccncc2)C1 ZINC000354099203 457062258 /nfs/dbraw/zinc/06/22/58/457062258.db2.gz BXXHLRIOOXGKJH-IBGZPJMESA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccncc2)C1 ZINC000354099203 457062262 /nfs/dbraw/zinc/06/22/62/457062262.db2.gz BXXHLRIOOXGKJH-IBGZPJMESA-N 2 1 339.483 3.434 20 0 EGADMP [NH3+]CCCOC1CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000346692985 457114486 /nfs/dbraw/zinc/11/44/86/457114486.db2.gz KEKRNACZVVQOCU-UHFFFAOYSA-N 2 1 349.475 3.279 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cc[nH]c(=O)c1 ZINC000339457222 457124131 /nfs/dbraw/zinc/12/41/31/457124131.db2.gz UZKJQSNWARBQRR-INIZCTEOSA-N 2 1 325.456 3.145 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)c1cccc(OC)c1 ZINC000359773040 457128285 /nfs/dbraw/zinc/12/82/85/457128285.db2.gz ZJHNLIWLACXTGX-NSISKUIASA-N 2 1 333.520 3.008 20 0 EGADMP C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347168313 457267362 /nfs/dbraw/zinc/26/73/62/457267362.db2.gz MKQRDBGTWFBQOR-YIONKMFJSA-N 2 1 328.378 3.343 20 0 EGADMP CC[NH+]1CCC(CC[NH2+][C@H](c2nccn2C)c2cccc(F)c2)CC1 ZINC000357027349 457284058 /nfs/dbraw/zinc/28/40/58/457284058.db2.gz OSQSIETXFNBXAW-IBGZPJMESA-N 2 1 344.478 3.360 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)cs1 ZINC000357039888 457293104 /nfs/dbraw/zinc/29/31/04/457293104.db2.gz BCBBLUBBPVJWIL-IRXDYDNUSA-N 2 1 343.496 3.072 20 0 EGADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)cs1 ZINC000357039888 457293105 /nfs/dbraw/zinc/29/31/05/457293105.db2.gz BCBBLUBBPVJWIL-IRXDYDNUSA-N 2 1 343.496 3.072 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC1)CC1CC1 ZINC000357071841 457307977 /nfs/dbraw/zinc/30/79/77/457307977.db2.gz BVTANWJGTVMERF-MRXNPFEDSA-N 2 1 337.552 3.124 20 0 EGADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000363391320 457309611 /nfs/dbraw/zinc/30/96/11/457309611.db2.gz QOAXWIJMSFBAFE-IBGZPJMESA-N 2 1 341.499 3.029 20 0 EGADMP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357079688 457311643 /nfs/dbraw/zinc/31/16/43/457311643.db2.gz LHHIVTSBZWPUBP-GOEBONIOSA-N 2 1 347.528 3.057 20 0 EGADMP CCc1nc(NCc2nccn2CCCc2ccccc2)cc(C)[nH+]1 ZINC000340019820 457321354 /nfs/dbraw/zinc/32/13/54/457321354.db2.gz UOURLFROFOLIQY-UHFFFAOYSA-N 2 1 335.455 3.211 20 0 EGADMP C[C@@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000357106609 457326350 /nfs/dbraw/zinc/32/63/50/457326350.db2.gz DBIXDSNHWIAKIB-APAFKAMOSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000357106609 457326355 /nfs/dbraw/zinc/32/63/55/457326355.db2.gz DBIXDSNHWIAKIB-APAFKAMOSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000357106609 457326363 /nfs/dbraw/zinc/32/63/63/457326363.db2.gz DBIXDSNHWIAKIB-APAFKAMOSA-N 2 1 337.552 3.122 20 0 EGADMP COc1c(Br)cccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000360823013 457370483 /nfs/dbraw/zinc/37/04/83/457370483.db2.gz UAUJMHWUIZCJPH-UHFFFAOYSA-N 2 1 341.293 3.231 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000378104370 457374471 /nfs/dbraw/zinc/37/44/71/457374471.db2.gz RLWKHDMKSLGUQM-SFHVURJKSA-N 2 1 326.488 3.015 20 0 EGADMP CCCCOc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000352534810 457446646 /nfs/dbraw/zinc/44/66/46/457446646.db2.gz JKFFIUIOLSFRMD-HXUWFJFHSA-N 2 1 332.488 3.450 20 0 EGADMP CCCCOc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000352534810 457446648 /nfs/dbraw/zinc/44/66/48/457446648.db2.gz JKFFIUIOLSFRMD-HXUWFJFHSA-N 2 1 332.488 3.450 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000397889657 457491468 /nfs/dbraw/zinc/49/14/68/457491468.db2.gz PCHBZBRGDVXFPY-IEBWSBKVSA-N 2 1 347.503 3.013 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000342753059 457499550 /nfs/dbraw/zinc/49/95/50/457499550.db2.gz OXZHPXZJDUUMOY-PXNSSMCTSA-N 2 1 345.531 3.313 20 0 EGADMP C[NH+](C)CCCC1CC[NH+](Cc2csc(-c3ncccn3)n2)CC1 ZINC000347570002 457516178 /nfs/dbraw/zinc/51/61/78/457516178.db2.gz PPBSMLGFFKHOJS-UHFFFAOYSA-N 2 1 345.516 3.154 20 0 EGADMP Cc1ccc([C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C2CCCC2)o1 ZINC000342803458 457535193 /nfs/dbraw/zinc/53/51/93/457535193.db2.gz YXKOGKYFXAGBTE-FQEVSTJZSA-N 2 1 333.520 3.437 20 0 EGADMP COC(=O)[C@@H](CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000425421987 457546821 /nfs/dbraw/zinc/54/68/21/457546821.db2.gz RZBYGHMWLIEMQY-OALUTQOASA-N 2 1 332.488 3.140 20 0 EGADMP COC(=O)[C@@H](CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000425421987 457546825 /nfs/dbraw/zinc/54/68/25/457546825.db2.gz RZBYGHMWLIEMQY-OALUTQOASA-N 2 1 332.488 3.140 20 0 EGADMP COC(=O)[C@@H](CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000425421987 457546827 /nfs/dbraw/zinc/54/68/27/457546827.db2.gz RZBYGHMWLIEMQY-OALUTQOASA-N 2 1 332.488 3.140 20 0 EGADMP COC(=O)[C@@H](CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000425421987 457546836 /nfs/dbraw/zinc/54/68/36/457546836.db2.gz RZBYGHMWLIEMQY-OALUTQOASA-N 2 1 332.488 3.140 20 0 EGADMP COC(=O)[C@@H](CC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000425423052 457548611 /nfs/dbraw/zinc/54/86/11/457548611.db2.gz NUCWVUFTLHJWSS-OALUTQOASA-N 2 1 341.455 3.003 20 0 EGADMP COC(=O)[C@@H](CC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000425423052 457548615 /nfs/dbraw/zinc/54/86/15/457548615.db2.gz NUCWVUFTLHJWSS-OALUTQOASA-N 2 1 341.455 3.003 20 0 EGADMP COc1ccc2c(c1)CCC[C@@H]2C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352725028 457562330 /nfs/dbraw/zinc/56/23/30/457562330.db2.gz OSQHEYABMFOVPH-OAHLLOKOSA-N 2 1 345.512 3.423 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000408506232 457572879 /nfs/dbraw/zinc/57/28/79/457572879.db2.gz FGRRYUWUEIDIEI-JTDSTZFVSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccs1 ZINC000361184485 457634972 /nfs/dbraw/zinc/63/49/72/457634972.db2.gz QXFVGLWYQXWBKN-CVEARBPZSA-N 2 1 337.533 3.012 20 0 EGADMP CC[C@H](NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1OC(F)F ZINC000370632485 457687193 /nfs/dbraw/zinc/68/71/93/457687193.db2.gz BDQSWZLLFPLMKD-DZKIICNBSA-N 2 1 340.414 3.192 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccccc1OC(F)F ZINC000370632485 457687196 /nfs/dbraw/zinc/68/71/96/457687196.db2.gz BDQSWZLLFPLMKD-DZKIICNBSA-N 2 1 340.414 3.192 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)[C@@H](C)C1 ZINC000370654285 457692140 /nfs/dbraw/zinc/69/21/40/457692140.db2.gz XXOLHRPQAZDCIZ-BXWFABGCSA-N 2 1 335.923 3.486 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCCOC[C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000361338482 457699150 /nfs/dbraw/zinc/69/91/50/457699150.db2.gz FORIWIKPLCICKR-GIVPXCGWSA-N 2 1 346.515 3.072 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCCOC[C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000361338482 457699153 /nfs/dbraw/zinc/69/91/53/457699153.db2.gz FORIWIKPLCICKR-GIVPXCGWSA-N 2 1 346.515 3.072 20 0 EGADMP C[N@@H+](Cc1ccc(F)cn1)[C@H]1CCCN(Cc2ccc(F)cn2)CC1 ZINC000364896223 457714072 /nfs/dbraw/zinc/71/40/72/457714072.db2.gz PAEXUFKUKHTKKS-IBGZPJMESA-N 2 1 346.425 3.241 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H](C(=O)Nc2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000358021341 457741894 /nfs/dbraw/zinc/74/18/94/457741894.db2.gz NKHTUCJRNOWLAH-UXPWSPDFSA-N 2 1 337.467 3.439 20 0 EGADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358111821 457791606 /nfs/dbraw/zinc/79/16/06/457791606.db2.gz NCWSTWYHLQVGLA-QKLQHJQFSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358111821 457791610 /nfs/dbraw/zinc/79/16/10/457791610.db2.gz NCWSTWYHLQVGLA-QKLQHJQFSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358111821 457791614 /nfs/dbraw/zinc/79/16/14/457791614.db2.gz NCWSTWYHLQVGLA-QKLQHJQFSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358155842 457822400 /nfs/dbraw/zinc/82/24/00/457822400.db2.gz PEPMHAWFWRXNBO-IPYPFGDCSA-N 2 1 336.430 3.292 20 0 EGADMP CC(CC[NH+](C)C[C@H]1CCCOC1)CC[N@@H+](C)C[C@H]1CCCOC1 ZINC000411268446 457845554 /nfs/dbraw/zinc/84/55/54/457845554.db2.gz DELSBNIGDDLDBM-WOJBJXKFSA-N 2 1 340.552 3.120 20 0 EGADMP COc1ccccc1-c1ccc([C@@H](C)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358254461 457890991 /nfs/dbraw/zinc/89/09/91/457890991.db2.gz PRGLARGTVCUQMJ-IERDGZPVSA-N 2 1 340.467 3.079 20 0 EGADMP COc1ccccc1-c1ccc([C@@H](C)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358254461 457890992 /nfs/dbraw/zinc/89/09/92/457890992.db2.gz PRGLARGTVCUQMJ-IERDGZPVSA-N 2 1 340.467 3.079 20 0 EGADMP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358254461 457890993 /nfs/dbraw/zinc/89/09/93/457890993.db2.gz PRGLARGTVCUQMJ-IERDGZPVSA-N 2 1 340.467 3.079 20 0 EGADMP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358254461 457890995 /nfs/dbraw/zinc/89/09/95/457890995.db2.gz PRGLARGTVCUQMJ-IERDGZPVSA-N 2 1 340.467 3.079 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCCCOc1ccccc1 ZINC000375355621 457895127 /nfs/dbraw/zinc/89/51/27/457895127.db2.gz KNTNSMGZLAFNNG-HLAWJBBLSA-N 2 1 346.515 3.419 20 0 EGADMP COC(=O)c1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000411520507 457908352 /nfs/dbraw/zinc/90/83/52/457908352.db2.gz WCFCYIWRMVTTOH-ZFWWWQNUSA-N 2 1 336.501 3.277 20 0 EGADMP COC(=O)c1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC000411520507 457908361 /nfs/dbraw/zinc/90/83/61/457908361.db2.gz WCFCYIWRMVTTOH-ZFWWWQNUSA-N 2 1 336.501 3.277 20 0 EGADMP O[C@]1(C[NH2+][C@@H]2CCCc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000361877806 457924857 /nfs/dbraw/zinc/92/48/57/457924857.db2.gz SQTOCIOEDLBDPO-YADHBBJMSA-N 2 1 336.479 3.291 20 0 EGADMP O[C@]1(C[NH2+][C@@H]2CCCc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000361877806 457924863 /nfs/dbraw/zinc/92/48/63/457924863.db2.gz SQTOCIOEDLBDPO-YADHBBJMSA-N 2 1 336.479 3.291 20 0 EGADMP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000361885107 457929838 /nfs/dbraw/zinc/92/98/38/457929838.db2.gz HYCXBWXBXNDRNP-LPHOPBHVSA-N 2 1 330.497 3.344 20 0 EGADMP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000361885107 457929842 /nfs/dbraw/zinc/92/98/42/457929842.db2.gz HYCXBWXBXNDRNP-LPHOPBHVSA-N 2 1 330.497 3.344 20 0 EGADMP O[C@@]1(CN[C@@H]2CCc3c2cccc3F)CC[N@H+](Cc2ccccc2)C1 ZINC000361891503 457935000 /nfs/dbraw/zinc/93/50/00/457935000.db2.gz HZVDLXABAKBFEH-NHCUHLMSSA-N 2 1 340.442 3.040 20 0 EGADMP CC(C)COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371472065 457949712 /nfs/dbraw/zinc/94/97/12/457949712.db2.gz XZBXOUSYQPXJEG-HMXCVIKNSA-N 2 1 346.515 3.405 20 0 EGADMP CC(C)COc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371472065 457949716 /nfs/dbraw/zinc/94/97/16/457949716.db2.gz XZBXOUSYQPXJEG-HMXCVIKNSA-N 2 1 346.515 3.405 20 0 EGADMP CO[C@@H]1CC[NH+](CC[C@@H](C)CC[N@@H+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000411689628 457951585 /nfs/dbraw/zinc/95/15/85/457951585.db2.gz DSXFTJYQHVCFDX-VYJAJWGXSA-N 2 1 340.552 3.401 20 0 EGADMP CO[C@@H]1CC[N@@H+](CC[C@@H](C)CC[NH+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000411689628 457951591 /nfs/dbraw/zinc/95/15/91/457951591.db2.gz DSXFTJYQHVCFDX-VYJAJWGXSA-N 2 1 340.552 3.401 20 0 EGADMP CO[C@@H]1CC[N@H+](CC[C@@H](C)CC[NH+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000411689628 457951593 /nfs/dbraw/zinc/95/15/93/457951593.db2.gz DSXFTJYQHVCFDX-VYJAJWGXSA-N 2 1 340.552 3.401 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCC1(F)F ZINC000411739766 457967313 /nfs/dbraw/zinc/96/73/13/457967313.db2.gz AWGOXTKNKAITBQ-SFHVURJKSA-N 2 1 338.442 3.122 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)[C@H]1c1cccs1 ZINC000427265280 457968990 /nfs/dbraw/zinc/96/89/90/457968990.db2.gz MQJAHEGJYYQOCX-MDZRGWNJSA-N 2 1 349.544 3.027 20 0 EGADMP CO[C@@H]1CC[N@@H+](CC[C@@H](C)CC[NH+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000411808356 457984234 /nfs/dbraw/zinc/98/42/34/457984234.db2.gz SFAKPMNEOHMWIK-WAPOTWQKSA-N 2 1 340.552 3.116 20 0 EGADMP CO[C@@H]1CC[NH+](CC[C@@H](C)CC[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000411808356 457984238 /nfs/dbraw/zinc/98/42/38/457984238.db2.gz SFAKPMNEOHMWIK-WAPOTWQKSA-N 2 1 340.552 3.116 20 0 EGADMP CO[C@@H]1CC[NH+](CC[C@@H](C)CC[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000411808356 457984245 /nfs/dbraw/zinc/98/42/45/457984245.db2.gz SFAKPMNEOHMWIK-WAPOTWQKSA-N 2 1 340.552 3.116 20 0 EGADMP Cc1noc(C)c1CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434681930 458035234 /nfs/dbraw/zinc/03/52/34/458035234.db2.gz UBSWBBYAUAWLNU-UHFFFAOYSA-N 2 1 328.460 3.246 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3nn(C)cc32)CC[N@@H+]1Cc1ccccc1 ZINC000368444718 458038084 /nfs/dbraw/zinc/03/80/84/458038084.db2.gz DDNAWGOVPPECMU-YVWKXTFCSA-N 2 1 338.499 3.440 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3nn(C)cc32)CC[N@H+]1Cc1ccccc1 ZINC000368444718 458038092 /nfs/dbraw/zinc/03/80/92/458038092.db2.gz DDNAWGOVPPECMU-YVWKXTFCSA-N 2 1 338.499 3.440 20 0 EGADMP C[C@@H]1C[N@@H+](CCCc2ccccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371697419 458038585 /nfs/dbraw/zinc/03/85/85/458038585.db2.gz WAZNDKABMCIXIL-XLIONFOSSA-N 2 1 349.950 3.230 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412131655 458103270 /nfs/dbraw/zinc/10/32/70/458103270.db2.gz PBERFQWJNAFWGM-FXAWDEMLSA-N 2 1 343.515 3.085 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000435372859 458123212 /nfs/dbraw/zinc/12/32/12/458123212.db2.gz SUFUVKBZHZYLRO-GXTWGEPZSA-N 2 1 346.393 3.196 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435374147 458124286 /nfs/dbraw/zinc/12/42/86/458124286.db2.gz HLJQDNDUDVURTL-WMZOPIPTSA-N 2 1 338.499 3.394 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OCc1ccccc1 ZINC000435375847 458127014 /nfs/dbraw/zinc/12/70/14/458127014.db2.gz XCWXXLHEHQJGME-APWZRJJASA-N 2 1 340.467 3.443 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OCc1ccccc1 ZINC000435375847 458127019 /nfs/dbraw/zinc/12/70/19/458127019.db2.gz XCWXXLHEHQJGME-APWZRJJASA-N 2 1 340.467 3.443 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000435380502 458128772 /nfs/dbraw/zinc/12/87/72/458128772.db2.gz OGYNUIAHNXVVJL-IUODEOHRSA-N 2 1 332.879 3.312 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC000435382445 458129750 /nfs/dbraw/zinc/12/97/50/458129750.db2.gz ZYKXSUSICVDWIS-SFHVURJKSA-N 2 1 326.440 3.055 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC000435382445 458129760 /nfs/dbraw/zinc/12/97/60/458129760.db2.gz ZYKXSUSICVDWIS-SFHVURJKSA-N 2 1 326.440 3.055 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000435384446 458132025 /nfs/dbraw/zinc/13/20/25/458132025.db2.gz MLNDFCQTWZASBC-SFHVURJKSA-N 2 1 340.515 3.270 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000435384446 458132032 /nfs/dbraw/zinc/13/20/32/458132032.db2.gz MLNDFCQTWZASBC-SFHVURJKSA-N 2 1 340.515 3.270 20 0 EGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000435387999 458132181 /nfs/dbraw/zinc/13/21/81/458132181.db2.gz DFDLVPJXBGEWDP-HNNXBMFYSA-N 2 1 338.480 3.381 20 0 EGADMP Cc1ccc(OCc2nc(C[NH+]3CCC(C[NH3+])CC3)cs2)cc1 ZINC000435390849 458134600 /nfs/dbraw/zinc/13/46/00/458134600.db2.gz QMSOGBAJWYSLLB-UHFFFAOYSA-N 2 1 331.485 3.201 20 0 EGADMP CCn1ccnc1C[N@H+](Cc1ccccc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435420630 458140828 /nfs/dbraw/zinc/14/08/28/458140828.db2.gz DIXHWIJLMOEGIB-LJQANCHMSA-N 2 1 338.499 3.356 20 0 EGADMP CCn1ccnc1C[N@@H+](Cc1ccccc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435420630 458140835 /nfs/dbraw/zinc/14/08/35/458140835.db2.gz DIXHWIJLMOEGIB-LJQANCHMSA-N 2 1 338.499 3.356 20 0 EGADMP CCOc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc(Cl)c1OC ZINC000435446086 458149236 /nfs/dbraw/zinc/14/92/36/458149236.db2.gz JGRAWVZUJSCUDV-CQSZACIVSA-N 2 1 326.868 3.321 20 0 EGADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000375988953 458152733 /nfs/dbraw/zinc/15/27/33/458152733.db2.gz OXKJJQJYWFUZEW-TZIWHRDSSA-N 2 1 338.499 3.299 20 0 EGADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(F)ccc1F ZINC000358755434 458195948 /nfs/dbraw/zinc/19/59/48/458195948.db2.gz SNWJLIPGLAUCLP-QFBILLFUSA-N 2 1 340.458 3.488 20 0 EGADMP C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000447387842 458291181 /nfs/dbraw/zinc/29/11/81/458291181.db2.gz UYGORQNRDFYUFZ-HKUYNNGSSA-N 2 1 338.499 3.230 20 0 EGADMP C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000447387842 458291183 /nfs/dbraw/zinc/29/11/83/458291183.db2.gz UYGORQNRDFYUFZ-HKUYNNGSSA-N 2 1 338.499 3.230 20 0 EGADMP C[C@H]1CN(c2cccc3cnccc32)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000447387842 458291187 /nfs/dbraw/zinc/29/11/87/458291187.db2.gz UYGORQNRDFYUFZ-HKUYNNGSSA-N 2 1 338.499 3.230 20 0 EGADMP C[C@H]1CN(c2cccc3cnccc32)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000447387842 458291191 /nfs/dbraw/zinc/29/11/91/458291191.db2.gz UYGORQNRDFYUFZ-HKUYNNGSSA-N 2 1 338.499 3.230 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000429249290 458299071 /nfs/dbraw/zinc/29/90/71/458299071.db2.gz AIMQAWZTZMMUKY-UHFFFAOYSA-N 2 1 346.450 3.244 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000429249290 458299072 /nfs/dbraw/zinc/29/90/72/458299072.db2.gz AIMQAWZTZMMUKY-UHFFFAOYSA-N 2 1 346.450 3.244 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000429288936 458308708 /nfs/dbraw/zinc/30/87/08/458308708.db2.gz BCAGMLPNYQDKTN-RTBURBONSA-N 2 1 331.504 3.166 20 0 EGADMP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c2ccccc21 ZINC000447564500 458312983 /nfs/dbraw/zinc/31/29/83/458312983.db2.gz XGIHLAYSNBKYHE-VDGAXYAQSA-N 2 1 343.515 3.048 20 0 EGADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000429341862 458318350 /nfs/dbraw/zinc/31/83/50/458318350.db2.gz SGHAOKIZHBGZRK-OAQYLSRUSA-N 2 1 349.478 3.326 20 0 EGADMP CCOc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc(Cl)c1O ZINC000459354668 458340916 /nfs/dbraw/zinc/34/09/16/458340916.db2.gz JLMKCCWNOMFJHD-ZBFHGGJFSA-N 2 1 338.879 3.360 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2C)[C@H]1Sc1ccccc1 ZINC000459389931 458355567 /nfs/dbraw/zinc/35/55/67/458355567.db2.gz OFYLYPXVTCHFMU-RCCFBDPRSA-N 2 1 331.485 3.119 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc(O)c2n1 ZINC000429681861 458357722 /nfs/dbraw/zinc/35/77/22/458357722.db2.gz DMWQXSPOGXCCOS-MRXNPFEDSA-N 2 1 325.456 3.167 20 0 EGADMP Fc1ccc(N2CC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1Cl ZINC000459455563 458377549 /nfs/dbraw/zinc/37/75/49/458377549.db2.gz GJAUIFNSTXMMMD-AWEZNQCLSA-N 2 1 337.870 3.274 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000459474388 458383519 /nfs/dbraw/zinc/38/35/19/458383519.db2.gz XSULJLDZPMCCTI-HXUWFJFHSA-N 2 1 344.886 3.239 20 0 EGADMP CCC[C@](C)([NH3+])C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000376828980 458398717 /nfs/dbraw/zinc/39/87/17/458398717.db2.gz ROGKRYQXLZWGMG-FQEVSTJZSA-N 2 1 343.515 3.019 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cnc(C5CC5)nc4)C3)C2)cc1 ZINC000459540341 458404429 /nfs/dbraw/zinc/40/44/29/458404429.db2.gz DKBIUZWWEMGJOQ-JOCHJYFZSA-N 2 1 348.494 3.452 20 0 EGADMP CC[N@H+](CCC1CC[NH+](Cc2cc(COC)on2)CC1)CC(C)C ZINC000459555946 458409201 /nfs/dbraw/zinc/40/92/01/458409201.db2.gz HBYGVGMAHMJMNT-UHFFFAOYSA-N 2 1 337.508 3.401 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(COC)on2)CC1)CC(C)C ZINC000459555946 458409206 /nfs/dbraw/zinc/40/92/06/458409206.db2.gz HBYGVGMAHMJMNT-UHFFFAOYSA-N 2 1 337.508 3.401 20 0 EGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCC[C@@H]3CCC[N@@H+](C)C3)ccc21 ZINC000459627898 458430662 /nfs/dbraw/zinc/43/06/62/458430662.db2.gz YCDANVJGBDPCME-HNAYVOBHSA-N 2 1 344.503 3.089 20 0 EGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423436749 458432964 /nfs/dbraw/zinc/43/29/64/458432964.db2.gz UAZMGLPAXDITTI-ZWKOTPCHSA-N 2 1 331.504 3.093 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459652531 458436409 /nfs/dbraw/zinc/43/64/09/458436409.db2.gz CHKPORQJGNKMBK-HNNXBMFYSA-N 2 1 345.409 3.263 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459652531 458436411 /nfs/dbraw/zinc/43/64/11/458436411.db2.gz CHKPORQJGNKMBK-HNNXBMFYSA-N 2 1 345.409 3.263 20 0 EGADMP COc1cccc2c1C[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000459695952 458449845 /nfs/dbraw/zinc/44/98/45/458449845.db2.gz JPLGWKMEOPARTR-HXUWFJFHSA-N 2 1 336.479 3.417 20 0 EGADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423526683 458451818 /nfs/dbraw/zinc/45/18/18/458451818.db2.gz LIYAKEBDFRKCRM-AYOQOUSVSA-N 2 1 338.451 3.082 20 0 EGADMP C[C@@H](NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+])c1cccc2ccccc21 ZINC000430539032 458458021 /nfs/dbraw/zinc/45/80/21/458458021.db2.gz DFZGAGSUHCXRAM-CVEARBPZSA-N 2 1 341.499 3.322 20 0 EGADMP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+])c1cccc2ccccc21 ZINC000430539032 458458024 /nfs/dbraw/zinc/45/80/24/458458024.db2.gz DFZGAGSUHCXRAM-CVEARBPZSA-N 2 1 341.499 3.322 20 0 EGADMP C[C@@](C[NH3+])([NH2+]Cc1cc(Br)cc2cccnc21)C1CC1 ZINC000430560391 458460999 /nfs/dbraw/zinc/46/09/99/458460999.db2.gz ZWCNPPOSYMGFHX-INIZCTEOSA-N 2 1 334.261 3.214 20 0 EGADMP Cc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(-c2ccnn2C)c1 ZINC000459784751 458477544 /nfs/dbraw/zinc/47/75/44/458477544.db2.gz OMGMCYNMYABJSQ-KRWDZBQOSA-N 2 1 326.488 3.217 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(F)c2Br)C1 ZINC000459799778 458482708 /nfs/dbraw/zinc/48/27/08/458482708.db2.gz ZEQKMWBQLVKZSC-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000437845161 458502075 /nfs/dbraw/zinc/50/20/75/458502075.db2.gz WCVVONUKFIXVLU-HXUWFJFHSA-N 2 1 343.515 3.275 20 0 EGADMP CCN(C(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)c1cccc2ccccc21 ZINC000430967072 458511499 /nfs/dbraw/zinc/51/14/99/458511499.db2.gz QMBGNVXJNYBMJB-AEFFLSMTSA-N 2 1 339.483 3.252 20 0 EGADMP CCN(C(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)c1cccc2ccccc21 ZINC000430967072 458511503 /nfs/dbraw/zinc/51/15/03/458511503.db2.gz QMBGNVXJNYBMJB-AEFFLSMTSA-N 2 1 339.483 3.252 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CC[C@H]4CCOC4)C3)C2)cc1 ZINC000438092637 458530304 /nfs/dbraw/zinc/53/03/04/458530304.db2.gz AADDZCQVTVVNRO-SFTDATJTSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CC[C@H]4CCOC4)C3)C2)cc1 ZINC000438092637 458530309 /nfs/dbraw/zinc/53/03/09/458530309.db2.gz AADDZCQVTVVNRO-SFTDATJTSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CC[C@H]4CCOC4)C3)C2)cc1 ZINC000438092637 458530312 /nfs/dbraw/zinc/53/03/12/458530312.db2.gz AADDZCQVTVVNRO-SFTDATJTSA-N 2 1 328.500 3.401 20 0 EGADMP COc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000373748375 458591033 /nfs/dbraw/zinc/59/10/33/458591033.db2.gz QNJRBIPEEGUJSS-KRWDZBQOSA-N 2 1 330.476 3.429 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccco1 ZINC000438551733 458597069 /nfs/dbraw/zinc/59/70/69/458597069.db2.gz GEEVKOVECOIZTB-QZTJIDSGSA-N 2 1 347.503 3.186 20 0 EGADMP C[NH+](C)C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCCCCC1 ZINC000438567966 458599138 /nfs/dbraw/zinc/59/91/38/458599138.db2.gz HLWNVNHVGQVSGA-GOSISDBHSA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)c1ccc(CC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000469954460 458603317 /nfs/dbraw/zinc/60/33/17/458603317.db2.gz VFZBUZMJTNOYQE-KNQAVFIVSA-N 2 1 343.559 3.310 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccn(-c3ccc(Cl)cc3)n1)CC[NH2+]CC2 ZINC000424288121 458604808 /nfs/dbraw/zinc/60/48/08/458604808.db2.gz KHHIANXBHKXMFK-OAHLLOKOSA-N 2 1 344.890 3.490 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1CCC(=O)Nc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000424295174 458608158 /nfs/dbraw/zinc/60/81/58/458608158.db2.gz QVDWCWQVFNETGW-CQSZACIVSA-N 2 1 335.879 3.133 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[NH+]1CCCCCC1 ZINC000494068105 458623650 /nfs/dbraw/zinc/62/36/50/458623650.db2.gz DZEXETICKANAQR-NLWGTHIKSA-N 2 1 343.515 3.030 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000494125061 458630288 /nfs/dbraw/zinc/63/02/88/458630288.db2.gz SCYYDGUPCDRYRU-KRWDZBQOSA-N 2 1 348.491 3.055 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000494125061 458630295 /nfs/dbraw/zinc/63/02/95/458630295.db2.gz SCYYDGUPCDRYRU-KRWDZBQOSA-N 2 1 348.491 3.055 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1cn(C)nc1C1CCCCC1)CC[NH2+]CC2 ZINC000424382781 458630483 /nfs/dbraw/zinc/63/04/83/458630483.db2.gz SPJPGDPDTVQXNO-INIZCTEOSA-N 2 1 330.520 3.432 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)c1 ZINC000424424045 458639942 /nfs/dbraw/zinc/63/99/42/458639942.db2.gz HMSOHPGTXJWYRQ-UHFFFAOYSA-N 2 1 344.459 3.033 20 0 EGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccccc2F)s1 ZINC000547280311 458713604 /nfs/dbraw/zinc/71/36/04/458713604.db2.gz WYLOYRLRTCGYSL-ACJLOTCBSA-N 2 1 334.460 3.271 20 0 EGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccccc2F)s1 ZINC000547280311 458713613 /nfs/dbraw/zinc/71/36/13/458713613.db2.gz WYLOYRLRTCGYSL-ACJLOTCBSA-N 2 1 334.460 3.271 20 0 EGADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000547361120 458727292 /nfs/dbraw/zinc/72/72/92/458727292.db2.gz DIXLBYUURLIYCK-IBGZPJMESA-N 2 1 335.923 3.249 20 0 EGADMP OC1CC(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000432419114 458737037 /nfs/dbraw/zinc/73/70/37/458737037.db2.gz ZCYBTOMJHNLPHB-SSXNTNPLSA-N 2 1 328.500 3.038 20 0 EGADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000439691965 458739785 /nfs/dbraw/zinc/73/97/85/458739785.db2.gz HNVRBPPRKZHBFE-INIZCTEOSA-N 2 1 337.533 3.050 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000439691965 458739788 /nfs/dbraw/zinc/73/97/88/458739788.db2.gz HNVRBPPRKZHBFE-INIZCTEOSA-N 2 1 337.533 3.050 20 0 EGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCOCC(F)(F)F ZINC000471842004 458740883 /nfs/dbraw/zinc/74/08/83/458740883.db2.gz BYHDFAFRUNPZJF-SJORKVTESA-N 2 1 344.421 3.237 20 0 EGADMP C[C@H](NCC[NH+]1CCCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511519 458754186 /nfs/dbraw/zinc/75/41/86/458754186.db2.gz HLRUNRVUUHNMIW-FPOVZHCZSA-N 2 1 329.532 3.363 20 0 EGADMP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439954837 458768083 /nfs/dbraw/zinc/76/80/83/458768083.db2.gz ADQFXMZHMQBQEA-LJQANCHMSA-N 2 1 335.536 3.166 20 0 EGADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCC23CCCC3)c2cccs2)CC1 ZINC000530545664 458787814 /nfs/dbraw/zinc/78/78/14/458787814.db2.gz CNHLXDYWPAOZMR-WMZOPIPTSA-N 2 1 333.545 3.349 20 0 EGADMP CCc1ccccc1NC(=O)[C@H](C)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472452301 458796756 /nfs/dbraw/zinc/79/67/56/458796756.db2.gz XJWIBYRGQUFWDX-WMZOPIPTSA-N 2 1 343.515 3.240 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CCN1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000472761577 458807839 /nfs/dbraw/zinc/80/78/39/458807839.db2.gz FXBFRLCAHLZNHD-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495301795 458829149 /nfs/dbraw/zinc/82/91/49/458829149.db2.gz ISCFESUSCHEESY-YESZJQIVSA-N 2 1 339.524 3.096 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)cc1 ZINC000440937434 458868350 /nfs/dbraw/zinc/86/83/50/458868350.db2.gz PIMDESLBUGRMHM-LPHOPBHVSA-N 2 1 343.515 3.274 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000440937434 458868354 /nfs/dbraw/zinc/86/83/54/458868354.db2.gz PIMDESLBUGRMHM-LPHOPBHVSA-N 2 1 343.515 3.274 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000440937434 458868356 /nfs/dbraw/zinc/86/83/56/458868356.db2.gz PIMDESLBUGRMHM-LPHOPBHVSA-N 2 1 343.515 3.274 20 0 EGADMP C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000495508639 458870792 /nfs/dbraw/zinc/87/07/92/458870792.db2.gz IKAJIAIZQVNUAN-DLBZAZTESA-N 2 1 339.524 3.098 20 0 EGADMP CCOC(=O)C1(C)CCC([NH2+][C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000474613605 458894220 /nfs/dbraw/zinc/89/42/20/458894220.db2.gz DRCKGGUQRQMHRA-LRVNENBYSA-N 2 1 338.536 3.454 20 0 EGADMP CCOC(=O)C1(C)CCC([NH2+][C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000474613605 458894225 /nfs/dbraw/zinc/89/42/25/458894225.db2.gz DRCKGGUQRQMHRA-LRVNENBYSA-N 2 1 338.536 3.454 20 0 EGADMP COc1cc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)ccc1OC(C)C ZINC000518791152 458894619 /nfs/dbraw/zinc/89/46/19/458894619.db2.gz YRLHASDFPNUOGD-OAHLLOKOSA-N 2 1 331.460 3.499 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000474726362 458898672 /nfs/dbraw/zinc/89/86/72/458898672.db2.gz HCMVJZZVYPMAMR-INIZCTEOSA-N 2 1 332.488 3.391 20 0 EGADMP CCCCN(C(=O)C[N@@H+](C)C(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000518945061 458901489 /nfs/dbraw/zinc/90/14/89/458901489.db2.gz FOKZXEXMJHSRKQ-UHFFFAOYSA-N 2 1 325.541 3.265 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000556173480 458934574 /nfs/dbraw/zinc/93/45/74/458934574.db2.gz VGWKOUVNMBYCDM-BHDDXSALSA-N 2 1 338.495 3.405 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)CCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000556173480 458934577 /nfs/dbraw/zinc/93/45/77/458934577.db2.gz VGWKOUVNMBYCDM-BHDDXSALSA-N 2 1 338.495 3.405 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000531683405 458961503 /nfs/dbraw/zinc/96/15/03/458961503.db2.gz JKCYNFAFJNZALF-UZLBHIALSA-N 2 1 328.456 3.426 20 0 EGADMP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccs1 ZINC000531710686 458966308 /nfs/dbraw/zinc/96/63/08/458966308.db2.gz SHTUXXNBKLYCOW-AEFFLSMTSA-N 2 1 329.513 3.387 20 0 EGADMP Cc1cc(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc(C)n1 ZINC000519592906 458969395 /nfs/dbraw/zinc/96/93/95/458969395.db2.gz BTEIVTVLIIXDJW-LJQANCHMSA-N 2 1 344.503 3.295 20 0 EGADMP COC1(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCCC1 ZINC000566650350 458975252 /nfs/dbraw/zinc/97/52/52/458975252.db2.gz UIDQKZOCLSTASP-UXHICEINSA-N 2 1 328.500 3.400 20 0 EGADMP C[C@@H](C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000556730373 458997620 /nfs/dbraw/zinc/99/76/20/458997620.db2.gz GRTVQHAUBHSTMO-HKUYNNGSSA-N 2 1 343.540 3.430 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000566792202 459001209 /nfs/dbraw/zinc/00/12/09/459001209.db2.gz NLOREPYLWQKLRQ-NRFANRHFSA-N 2 1 344.474 3.359 20 0 EGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000531971032 459009363 /nfs/dbraw/zinc/00/93/63/459009363.db2.gz QTXZGIJAWBSJLN-FQEVSTJZSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[C@H](C)NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476975107 459024126 /nfs/dbraw/zinc/02/41/26/459024126.db2.gz QVBBMOHOJRRDOM-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@]1(C)C[NH+](CCCCC[N@H+]2CCO[C@@](C)(CC)C2)CCO1 ZINC000442886114 459053280 /nfs/dbraw/zinc/05/32/80/459053280.db2.gz PZQZUPPHUFFCIP-OALUTQOASA-N 2 1 326.525 3.159 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CC1(C)C ZINC000442889302 459054521 /nfs/dbraw/zinc/05/45/21/459054521.db2.gz JYAIZGXYFSICND-UXHICEINSA-N 2 1 329.532 3.013 20 0 EGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@H](C)c1ccc(Cl)cc1 ZINC000442893310 459057295 /nfs/dbraw/zinc/05/72/95/459057295.db2.gz XTTZTDICSDYRTK-JKSUJKDBSA-N 2 1 337.939 3.448 20 0 EGADMP COc1sc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1Br ZINC000442929074 459063508 /nfs/dbraw/zinc/06/35/08/459063508.db2.gz QUUTWADQTIXEEW-JTQLQIEISA-N 2 1 333.295 3.080 20 0 EGADMP CCN(C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000443063103 459080916 /nfs/dbraw/zinc/08/09/16/459080916.db2.gz VVSKBFYGYJWBBR-KRWDZBQOSA-N 2 1 339.483 3.254 20 0 EGADMP CC(C)[C@H]1C[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c2ccccc21 ZINC000567673678 459141929 /nfs/dbraw/zinc/14/19/29/459141929.db2.gz ADEFGMXEQUZJNR-QZTJIDSGSA-N 2 1 339.487 3.246 20 0 EGADMP Cc1cc2[nH]c(C[NH2+]CC3CCN(CC[NH+](C)C)CC3)cc2c(C)c1 ZINC000479554297 459147490 /nfs/dbraw/zinc/14/74/90/459147490.db2.gz LVBHHKIFXPRPID-UHFFFAOYSA-N 2 1 342.531 3.148 20 0 EGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000567870696 459181936 /nfs/dbraw/zinc/18/19/36/459181936.db2.gz JMMRAYFRSUMRCO-GHMZBOCLSA-N 2 1 337.265 3.055 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CN1C(=O)OC(C)(C)C ZINC000496478027 459207463 /nfs/dbraw/zinc/20/74/63/459207463.db2.gz XOWZGSBUEUWGFD-CVEARBPZSA-N 2 1 339.524 3.238 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590787104 459218532 /nfs/dbraw/zinc/21/85/32/459218532.db2.gz XBZZRQWUKJYSFP-PKOBYXMFSA-N 2 1 337.552 3.218 20 0 EGADMP c1nc2cc(C[NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)ccc2[nH]1 ZINC000590798756 459224151 /nfs/dbraw/zinc/22/41/51/459224151.db2.gz YTDWGOUSURDNLT-LJQANCHMSA-N 2 1 334.467 3.217 20 0 EGADMP c1nc2ccc(C[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)cc2[nH]1 ZINC000590798756 459224157 /nfs/dbraw/zinc/22/41/57/459224157.db2.gz YTDWGOUSURDNLT-LJQANCHMSA-N 2 1 334.467 3.217 20 0 EGADMP c1nc2ccc(C[NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)cc2[nH]1 ZINC000590798756 459224163 /nfs/dbraw/zinc/22/41/63/459224163.db2.gz YTDWGOUSURDNLT-LJQANCHMSA-N 2 1 334.467 3.217 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000481050085 459230971 /nfs/dbraw/zinc/23/09/71/459230971.db2.gz MVNDBAPBVONSFK-CRAIPNDOSA-N 2 1 336.907 3.318 20 0 EGADMP CCCN(CCC)C(=O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481183287 459237588 /nfs/dbraw/zinc/23/75/88/459237588.db2.gz AWJKGMVRRJWIGE-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCCN(CCC)C(=O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000481183287 459237595 /nfs/dbraw/zinc/23/75/95/459237595.db2.gz AWJKGMVRRJWIGE-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCCN(CCC)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481183287 459237604 /nfs/dbraw/zinc/23/76/04/459237604.db2.gz AWJKGMVRRJWIGE-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCCN(CCC)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481183287 459237608 /nfs/dbraw/zinc/23/76/08/459237608.db2.gz AWJKGMVRRJWIGE-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1F ZINC000522546669 459248802 /nfs/dbraw/zinc/24/88/02/459248802.db2.gz YPUOPKLGEZITCE-RHSMWYFYSA-N 2 1 337.483 3.417 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000496625360 459264361 /nfs/dbraw/zinc/26/43/61/459264361.db2.gz SZOWAMZPBKAAJZ-BRWVUGGUSA-N 2 1 339.524 3.144 20 0 EGADMP C[C@@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[NH+]1CCC(C)CC1 ZINC000481975706 459282679 /nfs/dbraw/zinc/28/26/79/459282679.db2.gz WZKCWAKHWNBCHI-OALUTQOASA-N 2 1 347.547 3.398 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1cccc(C)c1 ZINC000482137216 459291875 /nfs/dbraw/zinc/29/18/75/459291875.db2.gz IPOBHTPIYQEBNK-WOJBJXKFSA-N 2 1 345.531 3.101 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000482153333 459292613 /nfs/dbraw/zinc/29/26/13/459292613.db2.gz AUWMQWIQFYHGMN-UKRRQHHQSA-N 2 1 346.441 3.429 20 0 EGADMP CCCCc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000482546199 459314264 /nfs/dbraw/zinc/31/42/64/459314264.db2.gz DCDXDXQPRUJRHY-FXAWDEMLSA-N 2 1 345.531 3.267 20 0 EGADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000496781692 459323112 /nfs/dbraw/zinc/32/31/12/459323112.db2.gz OGRYVXPNPLTPLP-HZPDHXFCSA-N 2 1 327.513 3.001 20 0 EGADMP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000482896751 459329810 /nfs/dbraw/zinc/32/98/10/459329810.db2.gz ULFMHJFHDWCTJM-IEBWSBKVSA-N 2 1 334.504 3.219 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1 ZINC000591202410 459331927 /nfs/dbraw/zinc/33/19/27/459331927.db2.gz OOAVBWZJXOQZDZ-HXUWFJFHSA-N 2 1 345.531 3.475 20 0 EGADMP O=C(NCCC[NH+]1CCCCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000482986420 459334336 /nfs/dbraw/zinc/33/43/36/459334336.db2.gz SHGDLOKZVXZJME-SFHVURJKSA-N 2 1 335.536 3.023 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C1CCCCC1 ZINC000484142780 459407073 /nfs/dbraw/zinc/40/70/73/459407073.db2.gz SWBJNRVMIOEGRQ-WMQCIHAUSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C1CCCCC1 ZINC000484142780 459407079 /nfs/dbraw/zinc/40/70/79/459407079.db2.gz SWBJNRVMIOEGRQ-WMQCIHAUSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C1CCCCC1 ZINC000484142768 459407671 /nfs/dbraw/zinc/40/76/71/459407671.db2.gz SWBJNRVMIOEGRQ-DZFGPLHGSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)C1CCCCC1 ZINC000484142768 459407676 /nfs/dbraw/zinc/40/76/76/459407676.db2.gz SWBJNRVMIOEGRQ-DZFGPLHGSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000561291848 459439965 /nfs/dbraw/zinc/43/99/65/459439965.db2.gz HENQTXVFYQJHRX-SJBKTWHCSA-N 2 1 343.559 3.213 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000497126598 459450635 /nfs/dbraw/zinc/45/06/35/459450635.db2.gz GOAYNWVNNOAGBJ-ZACQAIPSSA-N 2 1 339.524 3.238 20 0 EGADMP CC[C@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000569500614 459463123 /nfs/dbraw/zinc/46/31/23/459463123.db2.gz FEUULBHMDMYJEI-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000497159417 459466237 /nfs/dbraw/zinc/46/62/37/459466237.db2.gz GIHLGUFYRPMPQY-SJORKVTESA-N 2 1 337.508 3.016 20 0 EGADMP CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000562010102 459502272 /nfs/dbraw/zinc/50/22/72/459502272.db2.gz FLOREQCFNYWOBH-LJQANCHMSA-N 2 1 332.488 3.343 20 0 EGADMP CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000562010102 459502276 /nfs/dbraw/zinc/50/22/76/459502276.db2.gz FLOREQCFNYWOBH-LJQANCHMSA-N 2 1 332.488 3.343 20 0 EGADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000596094887 459518708 /nfs/dbraw/zinc/51/87/08/459518708.db2.gz ONTKXULLAGPQEN-DZGCQCFKSA-N 2 1 336.501 3.307 20 0 EGADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000596094887 459518714 /nfs/dbraw/zinc/51/87/14/459518714.db2.gz ONTKXULLAGPQEN-DZGCQCFKSA-N 2 1 336.501 3.307 20 0 EGADMP CCCC[N@@H+](C)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000497433611 459536849 /nfs/dbraw/zinc/53/68/49/459536849.db2.gz GSQZWMVELABPCD-PKOBYXMFSA-N 2 1 348.535 3.017 20 0 EGADMP CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1(C(=O)OC)CCC1 ZINC000497856988 459560069 /nfs/dbraw/zinc/56/00/69/459560069.db2.gz LNVXXHHSXSWKHW-FGTMMUONSA-N 2 1 338.536 3.456 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000542701802 459583921 /nfs/dbraw/zinc/58/39/21/459583921.db2.gz LCQXFOMUEZARAJ-DUMMIQTOSA-N 2 1 338.442 3.411 20 0 EGADMP c1ccc(-c2noc([C@H]3CCCC[N@@H+]3CC[C@H]3CC[NH2+]C3)n2)cc1 ZINC000583922372 459619140 /nfs/dbraw/zinc/61/91/40/459619140.db2.gz OAHZSJHNUYQZRZ-NVXWUHKLSA-N 2 1 326.444 3.263 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000543416819 459655569 /nfs/dbraw/zinc/65/55/69/459655569.db2.gz SPBVGGUNICPNJM-BURNTYAHSA-N 2 1 328.500 3.303 20 0 EGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H](N)c3cscn3)c2C1 ZINC000573850547 459745494 /nfs/dbraw/zinc/74/54/94/459745494.db2.gz SMABFOITIMFWQD-QGZVFWFLSA-N 2 1 344.484 3.143 20 0 EGADMP CC(C)CCN1Cc2cccc(NC(=O)[C@H](N)c3cscn3)c2C1 ZINC000573850547 459745500 /nfs/dbraw/zinc/74/55/00/459745500.db2.gz SMABFOITIMFWQD-QGZVFWFLSA-N 2 1 344.484 3.143 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)[C@H]3CC34CC4)cc2)CC1 ZINC000527846623 459756602 /nfs/dbraw/zinc/75/66/02/459756602.db2.gz FUZXTWXACZBWCP-FXAWDEMLSA-N 2 1 327.516 3.102 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527859131 459761001 /nfs/dbraw/zinc/76/10/01/459761001.db2.gz CUJFOBFDKCQODT-KDOFPFPSSA-N 2 1 340.870 3.293 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cc(F)c(Br)cc1F ZINC000527977195 459787135 /nfs/dbraw/zinc/78/71/35/459787135.db2.gz CONRRHBFEBOHQY-YMTOWFKASA-N 2 1 333.220 3.157 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@](C)(O)C(F)(F)F)C1 ZINC000566063381 459799897 /nfs/dbraw/zinc/79/98/97/459799897.db2.gz RQLBPKXAGNSEGY-PBHICJAKSA-N 2 1 344.421 3.321 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000566108635 459806131 /nfs/dbraw/zinc/80/61/31/459806131.db2.gz HEUMTSWHXHREGL-HNNXBMFYSA-N 2 1 337.895 3.379 20 0 EGADMP CC[NH2+]CCCNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000566203412 459822788 /nfs/dbraw/zinc/82/27/88/459822788.db2.gz SUJBPSUXUWMWFP-UHFFFAOYSA-N 2 1 339.483 3.048 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CC[NH+](C)C2CCCCC2)c1 ZINC000545309903 459822969 /nfs/dbraw/zinc/82/29/69/459822969.db2.gz PWCPOUYYCIRTHO-UHFFFAOYSA-N 2 1 345.531 3.409 20 0 EGADMP CC[NH+](C)Cc1cccc(CNC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC000545309903 459822972 /nfs/dbraw/zinc/82/29/72/459822972.db2.gz PWCPOUYYCIRTHO-UHFFFAOYSA-N 2 1 345.531 3.409 20 0 EGADMP CC[NH+](C)Cc1cccc(CNC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC000545309903 459822974 /nfs/dbraw/zinc/82/29/74/459822974.db2.gz PWCPOUYYCIRTHO-UHFFFAOYSA-N 2 1 345.531 3.409 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000566213108 459823799 /nfs/dbraw/zinc/82/37/99/459823799.db2.gz YGVVHLMZZWMBQZ-IEBWSBKVSA-N 2 1 331.504 3.166 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCSCc3ccccc3)C2)C1 ZINC000593315407 459838749 /nfs/dbraw/zinc/83/87/49/459838749.db2.gz JNLPGDITVQWBNR-GUDVDZBRSA-N 2 1 334.529 3.138 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000586755767 459863440 /nfs/dbraw/zinc/86/34/40/459863440.db2.gz ZQXBOHKFIDLOTN-JYJNAYRXSA-N 2 1 340.471 3.058 20 0 EGADMP CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000597237892 459890079 /nfs/dbraw/zinc/89/00/79/459890079.db2.gz DZNYULWKQBVQPU-TZIWHRDSSA-N 2 1 344.499 3.363 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C(C)C)ccc3OC)C2)CC1 ZINC000593958955 460027373 /nfs/dbraw/zinc/02/73/73/460027373.db2.gz NENWERKJOSWVCG-FQEVSTJZSA-N 2 1 345.531 3.030 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]CC[C@@H](C)[NH+]2CCCCC2)c2ccccc21 ZINC000621759210 460052692 /nfs/dbraw/zinc/05/26/92/460052692.db2.gz RMJIMASRUSOTKL-VQIMIIECSA-N 2 1 329.488 3.338 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]CC[C@@H](C)[NH+]2CCCCC2)c2ccccc21 ZINC000621759207 460053263 /nfs/dbraw/zinc/05/32/63/460053263.db2.gz RMJIMASRUSOTKL-APWZRJJASA-N 2 1 329.488 3.338 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)cs3)C2)CC1 ZINC000618810681 460185578 /nfs/dbraw/zinc/18/55/78/460185578.db2.gz KSYRQNKBOQGRHF-OAHLLOKOSA-N 2 1 327.925 3.002 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)cs3)C2)CC1 ZINC000618810681 460185583 /nfs/dbraw/zinc/18/55/83/460185583.db2.gz KSYRQNKBOQGRHF-OAHLLOKOSA-N 2 1 327.925 3.002 20 0 EGADMP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)c2cccs2)CC1 ZINC000599291620 460218486 /nfs/dbraw/zinc/21/84/86/460218486.db2.gz NGWUIOJUFJKAKQ-IAGOWNOFSA-N 2 1 349.544 3.122 20 0 EGADMP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)c2cccs2)CC1 ZINC000599291620 460218494 /nfs/dbraw/zinc/21/84/94/460218494.db2.gz NGWUIOJUFJKAKQ-IAGOWNOFSA-N 2 1 349.544 3.122 20 0 EGADMP COC(=O)CCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000599306418 460223828 /nfs/dbraw/zinc/22/38/28/460223828.db2.gz IAXVMQNPBWXKLL-MJGOQNOKSA-N 2 1 332.488 3.315 20 0 EGADMP COC(=O)CCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000599306418 460223832 /nfs/dbraw/zinc/22/38/32/460223832.db2.gz IAXVMQNPBWXKLL-MJGOQNOKSA-N 2 1 332.488 3.315 20 0 EGADMP COC(=O)CCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000599306418 460223837 /nfs/dbraw/zinc/22/38/37/460223837.db2.gz IAXVMQNPBWXKLL-MJGOQNOKSA-N 2 1 332.488 3.315 20 0 EGADMP COC(=O)CCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000599306418 460223841 /nfs/dbraw/zinc/22/38/41/460223841.db2.gz IAXVMQNPBWXKLL-MJGOQNOKSA-N 2 1 332.488 3.315 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000599311322 460224254 /nfs/dbraw/zinc/22/42/54/460224254.db2.gz OHFDRLVAHJTEGP-FXAWDEMLSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000599311322 460224261 /nfs/dbraw/zinc/22/42/61/460224261.db2.gz OHFDRLVAHJTEGP-FXAWDEMLSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000599311322 460224266 /nfs/dbraw/zinc/22/42/66/460224266.db2.gz OHFDRLVAHJTEGP-FXAWDEMLSA-N 2 1 343.515 3.162 20 0 EGADMP COC(=O)CCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000599317580 460228056 /nfs/dbraw/zinc/22/80/56/460228056.db2.gz CMIXSSPFHOAJOQ-WOJBJXKFSA-N 2 1 344.499 3.316 20 0 EGADMP COC(=O)CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000599317580 460228061 /nfs/dbraw/zinc/22/80/61/460228061.db2.gz CMIXSSPFHOAJOQ-WOJBJXKFSA-N 2 1 344.499 3.316 20 0 EGADMP COC(=O)CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000599317580 460228066 /nfs/dbraw/zinc/22/80/66/460228066.db2.gz CMIXSSPFHOAJOQ-WOJBJXKFSA-N 2 1 344.499 3.316 20 0 EGADMP COC(=O)CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000599402362 460247205 /nfs/dbraw/zinc/24/72/05/460247205.db2.gz ONJJRRXBNAXBRJ-GOSISDBHSA-N 2 1 332.488 3.220 20 0 EGADMP COC(=O)CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000599402362 460247209 /nfs/dbraw/zinc/24/72/09/460247209.db2.gz ONJJRRXBNAXBRJ-GOSISDBHSA-N 2 1 332.488 3.220 20 0 EGADMP C[C@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)CC(C)(C)C ZINC000619176584 460290751 /nfs/dbraw/zinc/29/07/51/460290751.db2.gz DRICCDFKXPLNEA-OAHLLOKOSA-N 2 1 332.492 3.234 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@H](C)C2CCCCC2)CC1 ZINC000625987331 460328411 /nfs/dbraw/zinc/32/84/11/460328411.db2.gz LYDVCTLTILYOEP-KRWDZBQOSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)NC(C)(C)CC ZINC000626062055 460357902 /nfs/dbraw/zinc/35/79/02/460357902.db2.gz DTSDHGDKIUSQKL-MRXNPFEDSA-N 2 1 333.520 3.263 20 0 EGADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062493 460358596 /nfs/dbraw/zinc/35/85/96/460358596.db2.gz UPFJLGQEDDJKLJ-DLBZAZTESA-N 2 1 333.520 3.263 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000623086456 460407080 /nfs/dbraw/zinc/40/70/80/460407080.db2.gz RZZSPXKPEPIWRY-UHFFFAOYSA-N 2 1 338.238 3.335 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCOC(C)(C)C3)CC2)oc1C ZINC000634680737 460473041 /nfs/dbraw/zinc/47/30/41/460473041.db2.gz ZTAJRVKPAGLBHA-KRWDZBQOSA-N 2 1 335.492 3.051 20 0 EGADMP Fc1ccc([C@@H]2OCC[C@H]2[NH2+]C2CC[NH+](CC3CC3)CC2)cc1F ZINC000631654572 460491583 /nfs/dbraw/zinc/49/15/83/460491583.db2.gz CNRZYJBINAYHQU-MOPGFXCFSA-N 2 1 336.426 3.259 20 0 EGADMP C[N@H+]1CCCC[C@@H](CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000628751905 460527491 /nfs/dbraw/zinc/52/74/91/460527491.db2.gz VKFWMVLFFLHOES-IBGZPJMESA-N 2 1 343.515 3.134 20 0 EGADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000635356615 460754011 /nfs/dbraw/zinc/75/40/11/460754011.db2.gz ZJAPREMPEULLNJ-HXUWFJFHSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@H](C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC000635405321 460771392 /nfs/dbraw/zinc/77/13/92/460771392.db2.gz BEXMBGQPNOVYRM-MRXNPFEDSA-N 2 1 331.504 3.017 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000629543817 460802738 /nfs/dbraw/zinc/80/27/38/460802738.db2.gz FHCBKWQSASGYMO-IMJJTQAJSA-N 2 1 325.859 3.178 20 0 EGADMP Cc1ccc2ncc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)cc2c1 ZINC000629546959 460804249 /nfs/dbraw/zinc/80/42/49/460804249.db2.gz IWHGXSHMFREUOI-CEWLAPEOSA-N 2 1 339.483 3.404 20 0 EGADMP Cc1ccc2ncc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)cc2c1 ZINC000629546962 460804642 /nfs/dbraw/zinc/80/46/42/460804642.db2.gz IWHGXSHMFREUOI-NRSPTQNISA-N 2 1 339.483 3.404 20 0 EGADMP Cc1nc([C@H](C)[N@H+](C)CCOCC[NH3+])oc1-c1ccc(Cl)cc1 ZINC000629581354 460812360 /nfs/dbraw/zinc/81/23/60/460812360.db2.gz XJNCQFIVFCKFPM-ZDUSSCGKSA-N 2 1 337.851 3.272 20 0 EGADMP Cc1nc([C@H](C)[N@@H+](C)CCOCC[NH3+])oc1-c1ccc(Cl)cc1 ZINC000629581354 460812369 /nfs/dbraw/zinc/81/23/69/460812369.db2.gz XJNCQFIVFCKFPM-ZDUSSCGKSA-N 2 1 337.851 3.272 20 0 EGADMP CCc1cccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629567732 460812528 /nfs/dbraw/zinc/81/25/28/460812528.db2.gz QNHKCQSEELMBQK-GOEBONIOSA-N 2 1 330.394 3.087 20 0 EGADMP CCc1cccc(OCC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629567732 460812531 /nfs/dbraw/zinc/81/25/31/460812531.db2.gz QNHKCQSEELMBQK-GOEBONIOSA-N 2 1 330.394 3.087 20 0 EGADMP COCc1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)o1 ZINC000629648707 460846037 /nfs/dbraw/zinc/84/60/37/460846037.db2.gz AOXVYSDKALCSFL-HNAYVOBHSA-N 2 1 332.419 3.048 20 0 EGADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000621109270 460895657 /nfs/dbraw/zinc/89/56/57/460895657.db2.gz SEVBVKQZPUJDIL-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[NH+](CC2CC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000621109270 460895667 /nfs/dbraw/zinc/89/56/67/460895667.db2.gz SEVBVKQZPUJDIL-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[NH+](CC2CC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000621109270 460895675 /nfs/dbraw/zinc/89/56/75/460895675.db2.gz SEVBVKQZPUJDIL-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)o1 ZINC000607939971 460942124 /nfs/dbraw/zinc/94/21/24/460942124.db2.gz GUQOSFCGBLAHNW-INIZCTEOSA-N 2 1 335.492 3.068 20 0 EGADMP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@H]3CC[N@@H+]3C3CCCC3)cccc21 ZINC000635873011 460957843 /nfs/dbraw/zinc/95/78/43/460957843.db2.gz SEOPVFFQOKZLBP-ZWKOTPCHSA-N 2 1 343.471 3.027 20 0 EGADMP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@H]3CC[N@H+]3C3CCCC3)cccc21 ZINC000635873011 460957847 /nfs/dbraw/zinc/95/78/47/460957847.db2.gz SEOPVFFQOKZLBP-ZWKOTPCHSA-N 2 1 343.471 3.027 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)CC[N@H+]1C ZINC000608061649 460974605 /nfs/dbraw/zinc/97/46/05/460974605.db2.gz WWZCQBSAIUHYDB-RHSMWYFYSA-N 2 1 338.455 3.406 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000621333953 460992505 /nfs/dbraw/zinc/99/25/05/460992505.db2.gz YYHPIRGODAYOIO-LJQANCHMSA-N 2 1 339.483 3.135 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000621333953 460992508 /nfs/dbraw/zinc/99/25/08/460992508.db2.gz YYHPIRGODAYOIO-LJQANCHMSA-N 2 1 339.483 3.135 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000628158471 461024475 /nfs/dbraw/zinc/02/44/75/461024475.db2.gz PFQQKPJOABVAJB-ROUUACIJSA-N 2 1 340.515 3.158 20 0 EGADMP Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000646196921 461128696 /nfs/dbraw/zinc/12/86/96/461128696.db2.gz CZIQNZJJHZMVPV-LJQANCHMSA-N 2 1 335.923 3.249 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)no3)C2)C1 ZINC000652348249 461142490 /nfs/dbraw/zinc/14/24/90/461142490.db2.gz YQVIOHJYPCFXLP-SQGPQFPESA-N 2 1 341.455 3.060 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000652349289 461142820 /nfs/dbraw/zinc/14/28/20/461142820.db2.gz JHYYIXCQGNZYFX-MJEQTWJJSA-N 2 1 326.843 3.197 20 0 EGADMP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])co2)cc1 ZINC000652353806 461149632 /nfs/dbraw/zinc/14/96/32/461149632.db2.gz DJWLYAYAVMRSRZ-RDTXWAMCSA-N 2 1 329.444 3.300 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])co2)cc1 ZINC000652353806 461149639 /nfs/dbraw/zinc/14/96/39/461149639.db2.gz DJWLYAYAVMRSRZ-RDTXWAMCSA-N 2 1 329.444 3.300 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)[C@H]1CC[NH3+] ZINC000652354019 461151033 /nfs/dbraw/zinc/15/10/33/461151033.db2.gz KMGLHBMHXGFBOI-UXPWSPDFSA-N 2 1 343.515 3.020 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(O[C@H]4CCOC4)cc3)C2)CC1 ZINC000668169670 461154362 /nfs/dbraw/zinc/15/43/62/461154362.db2.gz XDFJJZUZDZNLOM-FPOVZHCZSA-N 2 1 344.499 3.018 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2nc3ccccc3s2)C1 ZINC000652363990 461157741 /nfs/dbraw/zinc/15/77/41/461157741.db2.gz UFESOUOHYLGHEL-KBMXLJTQSA-N 2 1 331.485 3.157 20 0 EGADMP Cc1ccc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000662291109 461168206 /nfs/dbraw/zinc/16/82/06/461168206.db2.gz PGBJWOPLFKYIHF-SFHVURJKSA-N 2 1 340.471 3.257 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291471 461170563 /nfs/dbraw/zinc/17/05/63/461170563.db2.gz UDJWQXXIOQYCAC-GDBMZVCRSA-N 2 1 349.906 3.379 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000662293257 461170808 /nfs/dbraw/zinc/17/08/08/461170808.db2.gz FFIFRTOLFZFYGJ-INIZCTEOSA-N 2 1 349.906 3.299 20 0 EGADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000662293257 461170812 /nfs/dbraw/zinc/17/08/12/461170812.db2.gz FFIFRTOLFZFYGJ-INIZCTEOSA-N 2 1 349.906 3.299 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000668194627 461172138 /nfs/dbraw/zinc/17/21/38/461172138.db2.gz LBUVNQOCQSJGGE-YLJYHZDGSA-N 2 1 332.488 3.018 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000668194627 461172146 /nfs/dbraw/zinc/17/21/46/461172146.db2.gz LBUVNQOCQSJGGE-YLJYHZDGSA-N 2 1 332.488 3.018 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000668194627 461172153 /nfs/dbraw/zinc/17/21/53/461172153.db2.gz LBUVNQOCQSJGGE-YLJYHZDGSA-N 2 1 332.488 3.018 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000668194627 461172161 /nfs/dbraw/zinc/17/21/61/461172161.db2.gz LBUVNQOCQSJGGE-YLJYHZDGSA-N 2 1 332.488 3.018 20 0 EGADMP C[N@H+]1CCC[C@H]1CN1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000649571220 461185042 /nfs/dbraw/zinc/18/50/42/461185042.db2.gz COWOTNQKZTWQIF-FQEVSTJZSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@H]1CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000649571220 461185050 /nfs/dbraw/zinc/18/50/50/461185050.db2.gz COWOTNQKZTWQIF-FQEVSTJZSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@H]1CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000649571220 461185058 /nfs/dbraw/zinc/18/50/58/461185058.db2.gz COWOTNQKZTWQIF-FQEVSTJZSA-N 2 1 327.516 3.069 20 0 EGADMP CN1CCC[C@H]1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000649571220 461185062 /nfs/dbraw/zinc/18/50/62/461185062.db2.gz COWOTNQKZTWQIF-FQEVSTJZSA-N 2 1 327.516 3.069 20 0 EGADMP CN1CCC[C@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000649571220 461185068 /nfs/dbraw/zinc/18/50/68/461185068.db2.gz COWOTNQKZTWQIF-FQEVSTJZSA-N 2 1 327.516 3.069 20 0 EGADMP Cc1cncc(CC[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000649585202 461196379 /nfs/dbraw/zinc/19/63/79/461196379.db2.gz ONRSNZWASSEXSE-LFUKPOHLSA-N 2 1 338.499 3.074 20 0 EGADMP OCCCCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000638120517 461252863 /nfs/dbraw/zinc/25/28/63/461252863.db2.gz FDCOHIBHJBTSQA-LJQANCHMSA-N 2 1 346.515 3.146 20 0 EGADMP OCCCCOc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000638120517 461252873 /nfs/dbraw/zinc/25/28/73/461252873.db2.gz FDCOHIBHJBTSQA-LJQANCHMSA-N 2 1 346.515 3.146 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)CC2 ZINC000638119724 461253834 /nfs/dbraw/zinc/25/38/34/461253834.db2.gz ABMPVFVFSAUDNV-LPHOPBHVSA-N 2 1 344.499 3.499 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)CC2 ZINC000638119724 461253842 /nfs/dbraw/zinc/25/38/42/461253842.db2.gz ABMPVFVFSAUDNV-LPHOPBHVSA-N 2 1 344.499 3.499 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)cc2)C1 ZINC000655444021 461254241 /nfs/dbraw/zinc/25/42/41/461254241.db2.gz HCPHNCHZLFDLEV-PBEJRMEISA-N 2 1 341.499 3.247 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CC[C@@H](C[NH+](C)CC3CC3)C1)CC2 ZINC000638134252 461261996 /nfs/dbraw/zinc/26/19/96/461261996.db2.gz NLDJNTKPJWVSMI-LPHOPBHVSA-N 2 1 344.499 3.355 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@H+]1CC[C@@H](C[NH+](C)CC3CC3)C1)CC2 ZINC000638134252 461262010 /nfs/dbraw/zinc/26/20/10/461262010.db2.gz NLDJNTKPJWVSMI-LPHOPBHVSA-N 2 1 344.499 3.355 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH+]1CC[C@@H](C[N@H+](C)CC3CC3)C1)CC2 ZINC000638134252 461262019 /nfs/dbraw/zinc/26/20/19/461262019.db2.gz NLDJNTKPJWVSMI-LPHOPBHVSA-N 2 1 344.499 3.355 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH+]1CC[C@@H](C[N@@H+](C)CC3CC3)C1)CC2 ZINC000638134252 461262028 /nfs/dbraw/zinc/26/20/28/461262028.db2.gz NLDJNTKPJWVSMI-LPHOPBHVSA-N 2 1 344.499 3.355 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000638135009 461266030 /nfs/dbraw/zinc/26/60/30/461266030.db2.gz RBJPCLDJPAZIJP-SFHVURJKSA-N 2 1 327.472 3.168 20 0 EGADMP CCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)c(-c2ccccc2)n1 ZINC000641713912 461334336 /nfs/dbraw/zinc/33/43/36/461334336.db2.gz VLBZHNWOQFCEAF-QGZVFWFLSA-N 2 1 326.488 3.392 20 0 EGADMP FC(F)(F)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655689899 461363979 /nfs/dbraw/zinc/36/39/79/461363979.db2.gz FKGPGEPWVCQSLO-INIZCTEOSA-N 2 1 328.378 3.048 20 0 EGADMP CC(C)COc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655711157 461380816 /nfs/dbraw/zinc/38/08/16/461380816.db2.gz FUENPLQKYNUYET-HXUWFJFHSA-N 2 1 346.515 3.107 20 0 EGADMP COc1ccc([C@H](C)CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655715456 461385478 /nfs/dbraw/zinc/38/54/78/461385478.db2.gz KLJKADGFIIAYRZ-VQIMIIECSA-N 2 1 332.488 3.032 20 0 EGADMP c1ccc([C@@H]2C[C@@H](NC[C@H]3CC[NH+](C4CC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000638360637 461385550 /nfs/dbraw/zinc/38/55/50/461385550.db2.gz XQMQOVCSRINWDI-LZNRXBQRSA-N 2 1 339.527 3.428 20 0 EGADMP c1ccc([C@@H]2C[C@@H](NC[C@H]3CC[N@@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638360637 461385563 /nfs/dbraw/zinc/38/55/63/461385563.db2.gz XQMQOVCSRINWDI-LZNRXBQRSA-N 2 1 339.527 3.428 20 0 EGADMP c1ccc([C@@H]2C[C@@H](NC[C@H]3CC[N@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638360637 461385567 /nfs/dbraw/zinc/38/55/67/461385567.db2.gz XQMQOVCSRINWDI-LZNRXBQRSA-N 2 1 339.527 3.428 20 0 EGADMP CCC(CC)[C@@H](CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)OC ZINC000655734450 461403198 /nfs/dbraw/zinc/40/31/98/461403198.db2.gz INCJKVQBMMRWBX-RBUKOAKNSA-N 2 1 326.525 3.061 20 0 EGADMP CC(C)(C)Oc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655742735 461409640 /nfs/dbraw/zinc/40/96/40/461409640.db2.gz WYHDGGDUIPTWKO-GOSISDBHSA-N 2 1 332.488 3.207 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]CC3CCSCC3)c2)CCO1 ZINC000638419321 461419419 /nfs/dbraw/zinc/41/94/19/461419419.db2.gz GXGLCIXUKDUFLZ-MRXNPFEDSA-N 2 1 334.529 3.140 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]CC3CCSCC3)c2)CCO1 ZINC000638419321 461419431 /nfs/dbraw/zinc/41/94/31/461419431.db2.gz GXGLCIXUKDUFLZ-MRXNPFEDSA-N 2 1 334.529 3.140 20 0 EGADMP CC(C)[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC000655757108 461422429 /nfs/dbraw/zinc/42/24/29/461422429.db2.gz BOPZIRQOJQRABH-TZIWHRDSSA-N 2 1 330.516 3.344 20 0 EGADMP FC(F)(F)[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655755700 461422599 /nfs/dbraw/zinc/42/25/99/461422599.db2.gz IPWKMEZYNKNTLE-IRXDYDNUSA-N 2 1 342.405 3.175 20 0 EGADMP Fc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000655770764 461435777 /nfs/dbraw/zinc/43/57/77/461435777.db2.gz OVCBDCROSMRSCP-VDGAXYAQSA-N 2 1 332.463 3.305 20 0 EGADMP CC(=O)c1[nH]c(CC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nc1C ZINC000659838626 461446514 /nfs/dbraw/zinc/44/65/14/461446514.db2.gz NLORPRGCYQTJDJ-UHFFFAOYSA-N 2 1 346.519 3.051 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC000666088737 461450619 /nfs/dbraw/zinc/45/06/19/461450619.db2.gz QAIVXZIGSVCBQO-DLBZAZTESA-N 2 1 336.907 3.024 20 0 EGADMP CC1CC[NH+](C[C@H]2CCCN(CC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)CC1 ZINC000659863144 461464913 /nfs/dbraw/zinc/46/49/13/461464913.db2.gz GPSQAPXCXPTHCK-HBMCJLEFSA-N 2 1 335.580 3.408 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000659869338 461471437 /nfs/dbraw/zinc/47/14/37/461471437.db2.gz UGHXUORBHHPWEB-GOSISDBHSA-N 2 1 347.528 3.294 20 0 EGADMP CC(C)(C)C(=O)NCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638574082 461490968 /nfs/dbraw/zinc/49/09/68/461490968.db2.gz OXZLELOPSBCVPL-IEBWSBKVSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)(C)C(=O)NCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638574082 461490974 /nfs/dbraw/zinc/49/09/74/461490974.db2.gz OXZLELOPSBCVPL-IEBWSBKVSA-N 2 1 343.515 3.106 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(=O)[nH]c3)cc2)C1 ZINC000631042942 461496206 /nfs/dbraw/zinc/49/62/06/461496206.db2.gz YLHPHJXXRMQAOC-MRXNPFEDSA-N 2 1 325.456 3.309 20 0 EGADMP c1ccc(CC[NH+]2CCC(N[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000655850300 461498596 /nfs/dbraw/zinc/49/85/96/461498596.db2.gz UIDNJOOBWNJXSO-FGZHOGPDSA-N 2 1 341.543 3.300 20 0 EGADMP CC(C)CNC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000659927708 461501678 /nfs/dbraw/zinc/50/16/78/461501678.db2.gz HVINRUDSDAOIRG-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CNC(=O)CCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000659927708 461501685 /nfs/dbraw/zinc/50/16/85/461501685.db2.gz HVINRUDSDAOIRG-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CNC(=O)CCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000659927708 461501696 /nfs/dbraw/zinc/50/16/96/461501696.db2.gz HVINRUDSDAOIRG-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[NH2+]CC2)c1 ZINC000653122660 461511332 /nfs/dbraw/zinc/51/13/32/461511332.db2.gz ADTAAPQVFVSWHB-HXUWFJFHSA-N 2 1 345.531 3.315 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659974325 461524580 /nfs/dbraw/zinc/52/45/80/461524580.db2.gz HMHAJKMMUVKHJK-YJBOKZPZSA-N 2 1 347.528 3.153 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(F)c1N ZINC000638716875 461545884 /nfs/dbraw/zinc/54/58/84/461545884.db2.gz DDLOCEMLJMPUQD-BEFAXECRSA-N 2 1 327.447 3.408 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(F)c1N ZINC000638716875 461545892 /nfs/dbraw/zinc/54/58/92/461545892.db2.gz DDLOCEMLJMPUQD-BEFAXECRSA-N 2 1 327.447 3.408 20 0 EGADMP CC[N@@H+](CCCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000653200383 461554158 /nfs/dbraw/zinc/55/41/58/461554158.db2.gz CRQPIDULVVRJAB-AYHJJNSGSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663346252 461576968 /nfs/dbraw/zinc/57/69/68/461576968.db2.gz RPSALUFRWBZMQT-QIJUGHKUSA-N 2 1 341.543 3.219 20 0 EGADMP COC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCOCC1 ZINC000638781681 461576950 /nfs/dbraw/zinc/57/69/50/461576950.db2.gz HWWSOIQTEZORIS-ICSRJNTNSA-N 2 1 344.499 3.140 20 0 EGADMP COC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCOCC1 ZINC000638781681 461576957 /nfs/dbraw/zinc/57/69/57/461576957.db2.gz HWWSOIQTEZORIS-ICSRJNTNSA-N 2 1 344.499 3.140 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346252 461576976 /nfs/dbraw/zinc/57/69/76/461576976.db2.gz RPSALUFRWBZMQT-QIJUGHKUSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346252 461576985 /nfs/dbraw/zinc/57/69/85/461576985.db2.gz RPSALUFRWBZMQT-QIJUGHKUSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346252 461576994 /nfs/dbraw/zinc/57/69/94/461576994.db2.gz RPSALUFRWBZMQT-QIJUGHKUSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346252 461577002 /nfs/dbraw/zinc/57/70/02/461577002.db2.gz RPSALUFRWBZMQT-QIJUGHKUSA-N 2 1 341.543 3.219 20 0 EGADMP O=c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000631139707 461584290 /nfs/dbraw/zinc/58/42/90/461584290.db2.gz IGJQOKWFXRLJFF-LJQANCHMSA-N 2 1 325.456 3.179 20 0 EGADMP C[C@@H]1C[N@H+](CC[C@H]2CCc3ccccc32)CC[C@H]1N1CCN(C)CC1 ZINC000660158988 461611255 /nfs/dbraw/zinc/61/12/55/461611255.db2.gz YQOXBQOLZQQUJY-SYYKKAFVSA-N 2 1 341.543 3.064 20 0 EGADMP C[C@@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)CC[C@H]1N1CCN(C)CC1 ZINC000660158988 461611268 /nfs/dbraw/zinc/61/12/68/461611268.db2.gz YQOXBQOLZQQUJY-SYYKKAFVSA-N 2 1 341.543 3.064 20 0 EGADMP Cc1cc(C)c(/C=C/C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1C ZINC000631176560 461616342 /nfs/dbraw/zinc/61/63/42/461616342.db2.gz AXEGUWLQTJTSGH-KTBYTZPXSA-N 2 1 328.500 3.468 20 0 EGADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000638860533 461623821 /nfs/dbraw/zinc/62/38/21/461623821.db2.gz ZBDQHTQNGRKQJN-JSFADZTLSA-N 2 1 343.515 3.247 20 0 EGADMP c1ccc([C@H]2C[C@H]([NH2+]CCNc3ccccn3)CC[N@@H+]2C2CC2)cc1 ZINC000638870465 461629544 /nfs/dbraw/zinc/62/95/44/461629544.db2.gz QQRNSSUDEAJWJB-UYAOXDASSA-N 2 1 336.483 3.451 20 0 EGADMP c1ccc([C@H]2C[C@H]([NH2+]CCNc3ccccn3)CC[N@H+]2C2CC2)cc1 ZINC000638870465 461629553 /nfs/dbraw/zinc/62/95/53/461629553.db2.gz QQRNSSUDEAJWJB-UYAOXDASSA-N 2 1 336.483 3.451 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000631193810 461632069 /nfs/dbraw/zinc/63/20/69/461632069.db2.gz GEFOVVGAASVUJN-JXFKEZNVSA-N 2 1 336.483 3.212 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000631193810 461632075 /nfs/dbraw/zinc/63/20/75/461632075.db2.gz GEFOVVGAASVUJN-JXFKEZNVSA-N 2 1 336.483 3.212 20 0 EGADMP CCc1noc(C2CCC([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)n1 ZINC000663469132 461656445 /nfs/dbraw/zinc/65/64/45/461656445.db2.gz OUIQBLBCVOHLAW-AOCRQIFASA-N 2 1 346.519 3.370 20 0 EGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663467853 461656701 /nfs/dbraw/zinc/65/67/01/461656701.db2.gz IHOKDDQKSPBKKG-YJBOKZPZSA-N 2 1 329.488 3.418 20 0 EGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663467853 461656708 /nfs/dbraw/zinc/65/67/08/461656708.db2.gz IHOKDDQKSPBKKG-YJBOKZPZSA-N 2 1 329.488 3.418 20 0 EGADMP Cc1noc(C2CCC([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)CC2)n1 ZINC000663467277 461657064 /nfs/dbraw/zinc/65/70/64/461657064.db2.gz ZUPAOHNZKNACNR-WWDZGPRUSA-N 2 1 332.492 3.116 20 0 EGADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663467097 461658032 /nfs/dbraw/zinc/65/80/32/461658032.db2.gz ZNFLTCXTWJPTFO-QRVBRYPASA-N 2 1 330.520 3.158 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000643295896 461670857 /nfs/dbraw/zinc/67/08/57/461670857.db2.gz OVHXULOVYNGATM-UHFFFAOYSA-N 2 1 340.515 3.160 20 0 EGADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C(F)F)n1 ZINC000643327825 461687947 /nfs/dbraw/zinc/68/79/47/461687947.db2.gz JLDXLQXJQYJKPM-INIZCTEOSA-N 2 1 348.441 3.360 20 0 EGADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C(F)F)n1 ZINC000643327825 461687955 /nfs/dbraw/zinc/68/79/55/461687955.db2.gz JLDXLQXJQYJKPM-INIZCTEOSA-N 2 1 348.441 3.360 20 0 EGADMP Cc1nc2c(n1[C@H]1CC[N@H+]([C@@H](C)c3cnc(C)nc3C)C1)CCCC2 ZINC000639076830 461711070 /nfs/dbraw/zinc/71/10/70/461711070.db2.gz RHSVBOCQAJTBPM-YOEHRIQHSA-N 2 1 339.487 3.485 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC[N@H+]1C ZINC000631338903 461718974 /nfs/dbraw/zinc/71/89/74/461718974.db2.gz OJRURXWUMWWSEH-LSTHTHJFSA-N 2 1 343.515 3.059 20 0 EGADMP COc1ccc2[nH]cc(CC[NH2+][C@H](Cc3ccccc3)[C@@H](C)[NH3+])c2c1 ZINC000643453626 461730166 /nfs/dbraw/zinc/73/01/66/461730166.db2.gz MEYSTYXWOLAOOE-QVKFZJNVSA-N 2 1 337.467 3.267 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000647485677 461732344 /nfs/dbraw/zinc/73/23/44/461732344.db2.gz OQRYEWKBFAUHTA-HNNXBMFYSA-N 2 1 338.455 3.265 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000647485677 461732355 /nfs/dbraw/zinc/73/23/55/461732355.db2.gz OQRYEWKBFAUHTA-HNNXBMFYSA-N 2 1 338.455 3.265 20 0 EGADMP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000643457248 461732469 /nfs/dbraw/zinc/73/24/69/461732469.db2.gz MWGMLABXLAIJNO-HNAYVOBHSA-N 2 1 341.455 3.360 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000643455470 461732596 /nfs/dbraw/zinc/73/25/96/461732596.db2.gz JUXSDBPEUZUJIW-JGGQBBKZSA-N 2 1 327.394 3.014 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)cc(Cl)c2N)CCCO1 ZINC000639123000 461742868 /nfs/dbraw/zinc/74/28/68/461742868.db2.gz VZCMAVJFQCIALZ-LBPRGKRZSA-N 2 1 346.302 3.166 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)cc(Cl)c2N)CCCO1 ZINC000639123000 461742876 /nfs/dbraw/zinc/74/28/76/461742876.db2.gz VZCMAVJFQCIALZ-LBPRGKRZSA-N 2 1 346.302 3.166 20 0 EGADMP [NH3+]CC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000643480294 461742941 /nfs/dbraw/zinc/74/29/41/461742941.db2.gz SMYUUNAQQRBJNS-HODLZWQNSA-N 3 1 341.543 3.394 20 0 EGADMP CCCCN(CC)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637874482 461749636 /nfs/dbraw/zinc/74/96/36/461749636.db2.gz HOANWYILWTZOCY-UHFFFAOYSA-N 2 1 331.504 3.019 20 0 EGADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543093 461756646 /nfs/dbraw/zinc/75/66/46/461756646.db2.gz HNDZCLMHLMXQJQ-DLBZAZTESA-N 2 1 342.462 3.427 20 0 EGADMP CCn1nc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c2ccccc21 ZINC000647543347 461757350 /nfs/dbraw/zinc/75/73/50/461757350.db2.gz LOUYNGGRTDQLMV-IRXDYDNUSA-N 2 1 326.488 3.268 20 0 EGADMP c1sc(-c2ccccn2)nc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542874 461757701 /nfs/dbraw/zinc/75/77/01/461757701.db2.gz DHAVTLBAQNMMPX-HOTGVXAUSA-N 2 1 342.512 3.417 20 0 EGADMP c1cc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543681 461760113 /nfs/dbraw/zinc/76/01/13/461760113.db2.gz RCSMOGAHYKIAFH-CABCVRRESA-N 2 1 330.501 3.350 20 0 EGADMP C[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643549064 461761452 /nfs/dbraw/zinc/76/14/52/461761452.db2.gz ZSLWGAUDZXKPDQ-IHPCNDPISA-N 2 1 327.516 3.161 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643549064 461761454 /nfs/dbraw/zinc/76/14/54/461761454.db2.gz ZSLWGAUDZXKPDQ-IHPCNDPISA-N 3 1 327.516 3.161 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643549064 461761464 /nfs/dbraw/zinc/76/14/64/461761464.db2.gz ZSLWGAUDZXKPDQ-IHPCNDPISA-N 3 1 327.516 3.161 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3C[N@H+](CCc4noc5ccccc45)C[C@H]3C2)cc1 ZINC000653650833 461785544 /nfs/dbraw/zinc/78/55/44/461785544.db2.gz QAMAXGSEDARUPA-KDURUIRLSA-N 2 1 347.462 3.434 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCc4noc5ccccc45)C[C@H]3C2)cc1 ZINC000653650833 461785552 /nfs/dbraw/zinc/78/55/52/461785552.db2.gz QAMAXGSEDARUPA-KDURUIRLSA-N 2 1 347.462 3.434 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CCc4noc5ccccc45)C[C@H]3C2)cc1 ZINC000653650833 461785555 /nfs/dbraw/zinc/78/55/55/461785555.db2.gz QAMAXGSEDARUPA-KDURUIRLSA-N 2 1 347.462 3.434 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CCc4noc5ccccc45)C[C@H]3C2)cc1 ZINC000653650833 461785564 /nfs/dbraw/zinc/78/55/64/461785564.db2.gz QAMAXGSEDARUPA-KDURUIRLSA-N 2 1 347.462 3.434 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1nc(-c3cccc(Cl)c3)no1)CC[NH2+]CC2 ZINC000643895254 461832638 /nfs/dbraw/zinc/83/26/38/461832638.db2.gz LAKYVSTVZUFGQV-ZDUSSCGKSA-N 2 1 346.862 3.354 20 0 EGADMP C[N@@H+](CC[C@H]1Sc2ccccc2NC1=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660542396 461843594 /nfs/dbraw/zinc/84/35/94/461843594.db2.gz PMIBAIHHKPMAKO-JCHQDKQGSA-N 2 1 345.512 3.047 20 0 EGADMP O[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2NCc2cc(Cl)cc(Cl)c2)C1 ZINC000643959601 461845371 /nfs/dbraw/zinc/84/53/71/461845371.db2.gz ABSZSIQBKBFSBU-OAGGEKHMSA-N 2 1 329.271 3.071 20 0 EGADMP O[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NCc2cc(Cl)cc(Cl)c2)C1 ZINC000643959601 461845364 /nfs/dbraw/zinc/84/53/64/461845364.db2.gz ABSZSIQBKBFSBU-OAGGEKHMSA-N 2 1 329.271 3.071 20 0 EGADMP COc1ccc(C[N@H+]2CCCN(c3[nH+]ccc4[nH]ccc43)CC2)cc1 ZINC000647851941 461859862 /nfs/dbraw/zinc/85/98/62/461859862.db2.gz SOYWRBYDNSWONU-UHFFFAOYSA-N 2 1 336.439 3.284 20 0 EGADMP C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@@H]1CC[NH2+]C1 ZINC000647881559 461868534 /nfs/dbraw/zinc/86/85/34/461868534.db2.gz JQSFQBPKHYECJV-MRXNPFEDSA-N 2 1 344.478 3.470 20 0 EGADMP C[N@@H+](CCCC1CC[NH2+]CC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000647884919 461870978 /nfs/dbraw/zinc/87/09/78/461870978.db2.gz KLTCIQZNKKQFGV-GOSISDBHSA-N 2 1 349.906 3.157 20 0 EGADMP COc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)sn1 ZINC000639358735 461882560 /nfs/dbraw/zinc/88/25/60/461882560.db2.gz ARXFZPYJLNBOIB-HOCLYGCPSA-N 2 1 331.485 3.009 20 0 EGADMP COc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)sn1 ZINC000639358735 461882569 /nfs/dbraw/zinc/88/25/69/461882569.db2.gz ARXFZPYJLNBOIB-HOCLYGCPSA-N 2 1 331.485 3.009 20 0 EGADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647938359 461896249 /nfs/dbraw/zinc/89/62/49/461896249.db2.gz KQLBOQKYBZUVAO-YJBOKZPZSA-N 2 1 325.456 3.228 20 0 EGADMP Cn1c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)nc2ccc(Cl)cc21 ZINC000656787501 461896963 /nfs/dbraw/zinc/89/69/63/461896963.db2.gz ZQBMNEOXTVPESD-HNNXBMFYSA-N 2 1 346.906 3.438 20 0 EGADMP c1cn(Cc2ccccc2)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000656786274 461897505 /nfs/dbraw/zinc/89/75/05/461897505.db2.gz RIJKVNDEBKVACZ-FQEVSTJZSA-N 2 1 338.499 3.143 20 0 EGADMP Cn1c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)nc2ccc(Cl)cc21 ZINC000656787502 461898628 /nfs/dbraw/zinc/89/86/28/461898628.db2.gz ZQBMNEOXTVPESD-OAHLLOKOSA-N 2 1 346.906 3.438 20 0 EGADMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707336 461900742 /nfs/dbraw/zinc/90/07/42/461900742.db2.gz CXKTZLUFFKGJCQ-TWOQFEAHSA-N 2 1 328.456 3.460 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000650707535 461901193 /nfs/dbraw/zinc/90/11/93/461901193.db2.gz HZTIMBCDWZDXHG-SBHAEUEKSA-N 2 1 344.499 3.194 20 0 EGADMP CC1(C)Cc2cccc(C[N@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)c2O1 ZINC000650708279 461901377 /nfs/dbraw/zinc/90/13/77/461901377.db2.gz WXSAISBMZRVQGH-WDSOQIARSA-N 2 1 344.499 3.118 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000650707636 461901905 /nfs/dbraw/zinc/90/19/05/461901905.db2.gz JZQOMZQNYANUPK-XYPHTWIQSA-N 2 1 326.843 3.197 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000650707547 461902067 /nfs/dbraw/zinc/90/20/67/461902067.db2.gz IJLGDGVOOZNDSS-CPUCHLNUSA-N 2 1 326.843 3.197 20 0 EGADMP Clc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc2c1OCCCO2 ZINC000666998468 461905958 /nfs/dbraw/zinc/90/59/58/461905958.db2.gz VNVWICSNICSLQB-CQSZACIVSA-N 2 1 336.863 3.266 20 0 EGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1cccc(Cl)c1)C2 ZINC000660655467 461908243 /nfs/dbraw/zinc/90/82/43/461908243.db2.gz NMLMFNSHDSWPIE-SFHVURJKSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)Nc1cccc(Cl)c1)C2 ZINC000660655467 461908246 /nfs/dbraw/zinc/90/82/46/461908246.db2.gz NMLMFNSHDSWPIE-SFHVURJKSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(=O)Nc1cccc(Cl)c1)C2 ZINC000660655467 461908251 /nfs/dbraw/zinc/90/82/51/461908251.db2.gz NMLMFNSHDSWPIE-SFHVURJKSA-N 2 1 335.879 3.086 20 0 EGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)Cc1ccc3ccccc3c1)C2 ZINC000660660913 461911143 /nfs/dbraw/zinc/91/11/43/461911143.db2.gz BEDAUKHZTSHRAP-FGZHOGPDSA-N 2 1 338.495 3.161 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)Cc1ccc3ccccc3c1)C2 ZINC000660660913 461911148 /nfs/dbraw/zinc/91/11/48/461911148.db2.gz BEDAUKHZTSHRAP-FGZHOGPDSA-N 2 1 338.495 3.161 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)Cc1ccc3ccccc3c1)C2 ZINC000660660913 461911152 /nfs/dbraw/zinc/91/11/52/461911152.db2.gz BEDAUKHZTSHRAP-FGZHOGPDSA-N 2 1 338.495 3.161 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1Cl ZINC000650722761 461914465 /nfs/dbraw/zinc/91/44/65/461914465.db2.gz AOLQWCPVMHQNEI-YXJHDRRASA-N 2 1 338.879 3.209 20 0 EGADMP CSc1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647975265 461916412 /nfs/dbraw/zinc/91/64/12/461916412.db2.gz SZQVYNPEKOEXHF-HOTGVXAUSA-N 2 1 347.528 3.059 20 0 EGADMP CSc1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647975266 461916608 /nfs/dbraw/zinc/91/66/08/461916608.db2.gz SZQVYNPEKOEXHF-HZPDHXFCSA-N 2 1 347.528 3.059 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)CN[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000660672198 461918409 /nfs/dbraw/zinc/91/84/09/461918409.db2.gz AEXYTQGZVGJFSC-PBHICJAKSA-N 2 1 328.859 3.221 20 0 EGADMP Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C)c1C ZINC000647978330 461920580 /nfs/dbraw/zinc/92/05/80/461920580.db2.gz PZKOVXZSZGFEOH-DLBZAZTESA-N 2 1 349.544 3.323 20 0 EGADMP Cc1ccccc1C1(C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644539509 461976668 /nfs/dbraw/zinc/97/66/68/461976668.db2.gz VDDFIEAQGQPBRK-FQEVSTJZSA-N 2 1 338.495 3.109 20 0 EGADMP Cc1ccccc1C1(C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644539509 461976673 /nfs/dbraw/zinc/97/66/73/461976673.db2.gz VDDFIEAQGQPBRK-FQEVSTJZSA-N 2 1 338.495 3.109 20 0 EGADMP C[C@@H]1OCC[C@@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639553585 461985682 /nfs/dbraw/zinc/98/56/82/461985682.db2.gz OQKAWBCSOVQYDS-AZUAARDMSA-N 2 1 328.500 3.400 20 0 EGADMP CCN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC000667196042 461991546 /nfs/dbraw/zinc/99/15/46/461991546.db2.gz NSKMFNVVFAAJFU-IEBWSBKVSA-N 2 1 344.503 3.184 20 0 EGADMP C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)Sc1ccccc1 ZINC000644579147 461994892 /nfs/dbraw/zinc/99/48/92/461994892.db2.gz OTCLPKJUPDPFLN-IEBWSBKVSA-N 2 1 344.524 3.250 20 0 EGADMP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)Sc1ccccc1 ZINC000644579147 461994896 /nfs/dbraw/zinc/99/48/96/461994896.db2.gz OTCLPKJUPDPFLN-IEBWSBKVSA-N 2 1 344.524 3.250 20 0 EGADMP COCc1csc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000657297563 462026808 /nfs/dbraw/zinc/02/68/08/462026808.db2.gz KCZZWMJYDIVGJG-UHFFFAOYSA-N 2 1 330.497 3.433 20 0 EGADMP COCc1csc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000657297563 462026815 /nfs/dbraw/zinc/02/68/15/462026815.db2.gz KCZZWMJYDIVGJG-UHFFFAOYSA-N 2 1 330.497 3.433 20 0 EGADMP Cc1cccc2[nH]c(C[N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cc21 ZINC000667608531 462171505 /nfs/dbraw/zinc/17/15/05/462171505.db2.gz JGAUDIAWSPHZMC-MRXNPFEDSA-N 2 1 329.488 3.001 20 0 EGADMP CCC1([NH+]2CCCC2)CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000639988485 462207445 /nfs/dbraw/zinc/20/74/45/462207445.db2.gz SWNCKDQOKRTJNC-UHFFFAOYSA-N 2 1 347.478 3.495 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H](Nc2ncnc3[nH]c(C)c(C)c32)[C@H](C)C1 ZINC000645174317 462216414 /nfs/dbraw/zinc/21/64/14/462216414.db2.gz STEUSXSOBWIIAO-CZUORRHYSA-N 2 1 345.491 3.124 20 0 EGADMP FC(F)(F)CC[NH+]1CCC(N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000657677980 462225705 /nfs/dbraw/zinc/22/57/05/462225705.db2.gz KPIMCQVQONLZFJ-MRXNPFEDSA-N 2 1 347.469 3.400 20 0 EGADMP CCCCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000657750479 462251607 /nfs/dbraw/zinc/25/16/07/462251607.db2.gz CMSRTGWLDUJOMZ-IBGZPJMESA-N 2 1 332.488 3.208 20 0 EGADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000657872727 462304589 /nfs/dbraw/zinc/30/45/89/462304589.db2.gz PEUWTGASIUTANZ-IBGZPJMESA-N 2 1 337.939 3.278 20 0 EGADMP OCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2c2ccccc2Cl)CC1 ZINC000657942944 462324627 /nfs/dbraw/zinc/32/46/27/462324627.db2.gz GHYUXILKBWIBDT-PKOBYXMFSA-N 2 1 336.907 3.413 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000665277143 462380020 /nfs/dbraw/zinc/38/00/20/462380020.db2.gz UVJXYABXAHCMPR-AQNXPRMDSA-N 2 1 327.516 3.148 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000665277143 462380025 /nfs/dbraw/zinc/38/00/25/462380025.db2.gz UVJXYABXAHCMPR-AQNXPRMDSA-N 3 1 327.516 3.148 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000665277143 462380031 /nfs/dbraw/zinc/38/00/31/462380031.db2.gz UVJXYABXAHCMPR-AQNXPRMDSA-N 3 1 327.516 3.148 20 0 EGADMP C[C@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000658091087 462380493 /nfs/dbraw/zinc/38/04/93/462380493.db2.gz KXSPKZHNVCTROC-IHPCNDPISA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H](N[C@H]1CC[NH+](C(C)(C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658091087 462380497 /nfs/dbraw/zinc/38/04/97/462380497.db2.gz KXSPKZHNVCTROC-IHPCNDPISA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H](N[C@H]1CC[NH+](C(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658091087 462380504 /nfs/dbraw/zinc/38/05/04/462380504.db2.gz KXSPKZHNVCTROC-IHPCNDPISA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)CCC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1 ZINC000665291571 462389300 /nfs/dbraw/zinc/38/93/00/462389300.db2.gz FXRDZSNXUQRHOS-QGZVFWFLSA-N 2 1 328.460 3.298 20 0 EGADMP c1ccc([C@@H]2C[C@H](NC[C@@H]3CCC[N@@H+](CC4CC4)C3)CC[NH2+]2)cc1 ZINC000665299673 462391420 /nfs/dbraw/zinc/39/14/20/462391420.db2.gz RBEKVVXIJUTFAH-TYPHKJRUSA-N 3 1 327.516 3.191 20 0 EGADMP CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(OC)c(OC)c(OC)c1 ZINC000652132637 462445262 /nfs/dbraw/zinc/44/52/62/462445262.db2.gz QXBZDAYKWHKINC-HNNXBMFYSA-N 2 1 338.492 3.341 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652150996 462452465 /nfs/dbraw/zinc/45/24/65/462452465.db2.gz GFBRHCHQXMHZOG-GOEBONIOSA-N 2 1 336.476 3.095 20 0 EGADMP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294809 462461330 /nfs/dbraw/zinc/46/13/30/462461330.db2.gz JUTMOLJDHUDHTN-JXFKEZNVSA-N 2 1 339.483 3.388 20 0 EGADMP CCc1ccc2[nH+]ccc(N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)c2c1 ZINC000649278350 462465378 /nfs/dbraw/zinc/46/53/78/462465378.db2.gz NLKSRIQBDDMGOC-GOSISDBHSA-N 2 1 338.499 3.013 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000184222526 528834939 /nfs/dbraw/zinc/83/49/39/528834939.db2.gz YTAJQJWLZWJOKC-UHFFFAOYSA-N 2 1 345.531 3.442 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2nc3ccccc3s2)CC1 ZINC000191411087 529040343 /nfs/dbraw/zinc/04/03/43/529040343.db2.gz LIYHGCMNJLCWLL-UHFFFAOYSA-N 2 1 346.544 3.144 20 0 EGADMP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000347912198 535330193 /nfs/dbraw/zinc/33/01/93/535330193.db2.gz TVPCOXCJIZCDAI-HXUWFJFHSA-N 2 1 345.531 3.089 20 0 EGADMP COC(=O)c1cc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc2o1 ZINC000172832480 536591442 /nfs/dbraw/zinc/59/14/42/536591442.db2.gz WDPGLOZOWMPYMY-MRXNPFEDSA-N 2 1 342.439 3.137 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc2o1 ZINC000172832480 536591445 /nfs/dbraw/zinc/59/14/45/536591445.db2.gz WDPGLOZOWMPYMY-MRXNPFEDSA-N 2 1 342.439 3.137 20 0 EGADMP c1cc(COC2CCOCC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090723341 546660274 /nfs/dbraw/zinc/66/02/74/546660274.db2.gz BVDOPUNJQVKXOZ-WOJBJXKFSA-N 2 1 344.499 3.099 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(N(C)C)nc2)C1 ZINC000120634993 546716480 /nfs/dbraw/zinc/71/64/80/546716480.db2.gz TXGGASWUGNDGNW-IEBWSBKVSA-N 2 1 330.520 3.234 20 0 EGADMP FC(F)(F)Oc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166197936 546986825 /nfs/dbraw/zinc/98/68/25/546986825.db2.gz KHRHDFADQJRUPJ-HUUCEWRRSA-N 2 1 328.378 3.344 20 0 EGADMP Fc1ccc(CN2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1F ZINC000166229139 546986936 /nfs/dbraw/zinc/98/69/36/546986936.db2.gz YCLOPBQBKKIVPO-QZTJIDSGSA-N 2 1 349.469 3.146 20 0 EGADMP COc1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)[NH+]2CCCC2)cc1 ZINC000339068915 547568323 /nfs/dbraw/zinc/56/83/23/547568323.db2.gz RYKKWGIZDZWRRB-ZJOUEHCJSA-N 2 1 343.515 3.049 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)N2CCCC2)cc1 ZINC000339068915 547568326 /nfs/dbraw/zinc/56/83/26/547568326.db2.gz RYKKWGIZDZWRRB-ZJOUEHCJSA-N 2 1 343.515 3.049 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)N2CCCC2)cc1 ZINC000339068915 547568331 /nfs/dbraw/zinc/56/83/31/547568331.db2.gz RYKKWGIZDZWRRB-ZJOUEHCJSA-N 2 1 343.515 3.049 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339072815 547568605 /nfs/dbraw/zinc/56/86/05/547568605.db2.gz XZBHJQIAXCMBEK-UXHICEINSA-N 2 1 345.531 3.124 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339072815 547568608 /nfs/dbraw/zinc/56/86/08/547568608.db2.gz XZBHJQIAXCMBEK-UXHICEINSA-N 3 1 345.531 3.124 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339072815 547568612 /nfs/dbraw/zinc/56/86/12/547568612.db2.gz XZBHJQIAXCMBEK-UXHICEINSA-N 3 1 345.531 3.124 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+]3CCC[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000339068714 547569114 /nfs/dbraw/zinc/56/91/14/547569114.db2.gz SVXRVTPEXGSAGL-PBASOCQRSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000339068714 547569117 /nfs/dbraw/zinc/56/91/17/547569117.db2.gz SVXRVTPEXGSAGL-PBASOCQRSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000339068714 547569121 /nfs/dbraw/zinc/56/91/21/547569121.db2.gz SVXRVTPEXGSAGL-PBASOCQRSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000339068714 547569123 /nfs/dbraw/zinc/56/91/23/547569123.db2.gz SVXRVTPEXGSAGL-PBASOCQRSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000339068714 547569127 /nfs/dbraw/zinc/56/91/27/547569127.db2.gz SVXRVTPEXGSAGL-PBASOCQRSA-N 2 1 327.516 3.256 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000348100155 547627097 /nfs/dbraw/zinc/62/70/97/547627097.db2.gz FBJKPTSLZAIIML-RTWAWAEBSA-N 2 1 327.516 3.102 20 0 EGADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000354293456 547704246 /nfs/dbraw/zinc/70/42/46/547704246.db2.gz KICZEYJSJWRIRO-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000354293456 547704250 /nfs/dbraw/zinc/70/42/50/547704250.db2.gz KICZEYJSJWRIRO-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414852785 547860347 /nfs/dbraw/zinc/86/03/47/547860347.db2.gz RRCJDWDYEQCSRR-CYBMUJFWSA-N 2 1 336.277 3.460 20 0 EGADMP C[C@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C(C)(C)C ZINC000670267181 548194320 /nfs/dbraw/zinc/19/43/20/548194320.db2.gz UXCPONJQFCJZKZ-APWZRJJASA-N 2 1 345.531 3.156 20 0 EGADMP CC[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[NH+](CC)CC ZINC000673637544 548585759 /nfs/dbraw/zinc/58/57/59/548585759.db2.gz MZJWNGZGRUKKRV-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000674391654 548745373 /nfs/dbraw/zinc/74/53/73/548745373.db2.gz VLOLRRZAWKZWNT-STZQEDGTSA-N 2 1 338.495 3.357 20 0 EGADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000674391654 548745377 /nfs/dbraw/zinc/74/53/77/548745377.db2.gz VLOLRRZAWKZWNT-STZQEDGTSA-N 2 1 338.495 3.357 20 0 EGADMP C[C@@H]1[C@H](c2ccccc2)CC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000674391654 548745383 /nfs/dbraw/zinc/74/53/83/548745383.db2.gz VLOLRRZAWKZWNT-STZQEDGTSA-N 2 1 338.495 3.357 20 0 EGADMP C[C@@H]1[C@H](c2ccccc2)CC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000674391654 548745388 /nfs/dbraw/zinc/74/53/88/548745388.db2.gz VLOLRRZAWKZWNT-STZQEDGTSA-N 2 1 338.495 3.357 20 0 EGADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000675809565 548986322 /nfs/dbraw/zinc/98/63/22/548986322.db2.gz KVUVGNOFAYHYSL-JRGCBEDISA-N 2 1 327.516 3.286 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000675809565 548986324 /nfs/dbraw/zinc/98/63/24/548986324.db2.gz KVUVGNOFAYHYSL-JRGCBEDISA-N 2 1 327.516 3.286 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](CC)[C@H](C)C2)cc1)C(C)C ZINC000677183041 549224680 /nfs/dbraw/zinc/22/46/80/549224680.db2.gz OKNDBQQISUSKKA-QGZVFWFLSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](CC)[C@H](C)C2)cc1)C(C)C ZINC000677183041 549224682 /nfs/dbraw/zinc/22/46/82/549224682.db2.gz OKNDBQQISUSKKA-QGZVFWFLSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](CC)[C@H](C)C2)cc1)C(C)C ZINC000677183041 549224684 /nfs/dbraw/zinc/22/46/84/549224684.db2.gz OKNDBQQISUSKKA-QGZVFWFLSA-N 2 1 331.504 3.083 20 0 EGADMP CC[N@@H+](CCCC1CC[NH+]([C@H]2CCCOC2)CC1)[C@@H]1CCCOC1 ZINC000677992658 549371894 /nfs/dbraw/zinc/37/18/94/549371894.db2.gz NYQFWPWZAQDZSR-UXHICEINSA-N 2 1 338.536 3.159 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000678195011 549422250 /nfs/dbraw/zinc/42/22/50/549422250.db2.gz CBFCBEAOBSTBJB-UHFFFAOYSA-N 2 1 343.515 3.131 20 0 EGADMP Cc1cc(C)c(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000678718716 549547266 /nfs/dbraw/zinc/54/72/66/549547266.db2.gz APQPODSWQGWBPW-HXUWFJFHSA-N 2 1 329.532 3.212 20 0 EGADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000682086024 550071374 /nfs/dbraw/zinc/07/13/74/550071374.db2.gz BKNJTCGVTWLCJB-BMFZPTHFSA-N 2 1 334.426 3.341 20 0 EGADMP CC(C)C[C@]1(CO)CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682789556 550144050 /nfs/dbraw/zinc/14/40/50/550144050.db2.gz RELNTPUYPAVGLV-FQEVSTJZSA-N 2 1 334.504 3.000 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H](C2CC2)O1 ZINC000684411150 550326701 /nfs/dbraw/zinc/32/67/01/550326701.db2.gz BBLSVHFXPXWYMC-UTKZUKDTSA-N 2 1 344.499 3.161 20 0 EGADMP CO[C@]1(C)CCC[NH+](C/C=C\C[N@@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000684622747 550349823 /nfs/dbraw/zinc/34/98/23/550349823.db2.gz AHAKANWSVSDGQI-SBUVDCAVSA-N 2 1 338.536 3.325 20 0 EGADMP C[N@@H+](C/C=C/c1ccc(F)cc1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457197 550419070 /nfs/dbraw/zinc/41/90/70/550419070.db2.gz JNXOVAASSYORHQ-RTLBZRNLSA-N 2 1 349.469 3.078 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000685462181 550419675 /nfs/dbraw/zinc/41/96/75/550419675.db2.gz VFFMLPLYGPADQW-UHFFFAOYSA-N 2 1 339.443 3.112 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000685462181 550419676 /nfs/dbraw/zinc/41/96/76/550419676.db2.gz VFFMLPLYGPADQW-UHFFFAOYSA-N 2 1 339.443 3.112 20 0 EGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OCC ZINC000685470762 550421167 /nfs/dbraw/zinc/42/11/67/550421167.db2.gz QAFHBFSFBUBAON-QZTJIDSGSA-N 2 1 332.488 3.400 20 0 EGADMP CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1OCC ZINC000685470762 550421169 /nfs/dbraw/zinc/42/11/69/550421169.db2.gz QAFHBFSFBUBAON-QZTJIDSGSA-N 2 1 332.488 3.400 20 0 EGADMP CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1OCC ZINC000685470762 550421170 /nfs/dbraw/zinc/42/11/70/550421170.db2.gz QAFHBFSFBUBAON-QZTJIDSGSA-N 2 1 332.488 3.400 20 0 EGADMP COCCC[NH+]1CCC([NH2+]Cc2cc3cccc(OC)c3o2)CC1 ZINC000726977574 574626536 /nfs/dbraw/zinc/62/65/36/574626536.db2.gz YFUFBEYDNZPSFB-UHFFFAOYSA-N 2 1 332.444 3.032 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NC2CCCCCCC2)CC1 ZINC000728571664 574759141 /nfs/dbraw/zinc/75/91/41/574759141.db2.gz JPVQZNMNKMUSGC-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000729690368 574880377 /nfs/dbraw/zinc/88/03/77/574880377.db2.gz FZTBETIHIQCXKZ-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000732273851 575252477 /nfs/dbraw/zinc/25/24/77/575252477.db2.gz DRPLUONLBMZRQW-FHWLQOOXSA-N 2 1 337.552 3.362 20 0 EGADMP CC1(C)Cc2cc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)ccc2O1 ZINC000733329092 575328432 /nfs/dbraw/zinc/32/84/32/575328432.db2.gz MIBRVSPQDVVJFP-LJQANCHMSA-N 2 1 344.499 3.133 20 0 EGADMP Cn1c(-c2ccccc2)cn(C[NH+]2CCC(C[NH+](C)C)CC2)c1=S ZINC000738076995 576285171 /nfs/dbraw/zinc/28/51/71/576285171.db2.gz PZEVBDKPZDLLRF-UHFFFAOYSA-N 2 1 344.528 3.454 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3cc(C)ccc23)C[C@@H]1C ZINC000740883035 576633469 /nfs/dbraw/zinc/63/34/69/576633469.db2.gz MCHJOFJDCIXYOD-DOTOQJQBSA-N 2 1 328.456 3.406 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3cc(C)ccc23)C[C@@H]1C ZINC000740883035 576633473 /nfs/dbraw/zinc/63/34/73/576633473.db2.gz MCHJOFJDCIXYOD-DOTOQJQBSA-N 2 1 328.456 3.406 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)oc3cc(C)ccc23)C[C@@H]1C ZINC000740883035 576633476 /nfs/dbraw/zinc/63/34/76/576633476.db2.gz MCHJOFJDCIXYOD-DOTOQJQBSA-N 2 1 328.456 3.406 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)oc3cc(C)ccc23)C[C@@H]1C ZINC000740883035 576633479 /nfs/dbraw/zinc/63/34/79/576633479.db2.gz MCHJOFJDCIXYOD-DOTOQJQBSA-N 2 1 328.456 3.406 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)N3CCCC3)cc2)C[C@H]1C ZINC000740886100 576633779 /nfs/dbraw/zinc/63/37/79/576633779.db2.gz GGWTZYCTRPGNFX-YLJYHZDGSA-N 2 1 343.515 3.227 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)N3CCCC3)cc2)C[C@H]1C ZINC000740886100 576633783 /nfs/dbraw/zinc/63/37/83/576633783.db2.gz GGWTZYCTRPGNFX-YLJYHZDGSA-N 2 1 343.515 3.227 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)N3CCCC3)cc2)C[C@H]1C ZINC000740886100 576633786 /nfs/dbraw/zinc/63/37/86/576633786.db2.gz GGWTZYCTRPGNFX-YLJYHZDGSA-N 2 1 343.515 3.227 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)N3CCCC3)cc2)C[C@H]1C ZINC000740886100 576633788 /nfs/dbraw/zinc/63/37/88/576633788.db2.gz GGWTZYCTRPGNFX-YLJYHZDGSA-N 2 1 343.515 3.227 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@H](CC(C)C)CC1=O ZINC000744434643 576828149 /nfs/dbraw/zinc/82/81/49/576828149.db2.gz UVUQZHKMYAEBSD-HXUWFJFHSA-N 2 1 345.531 3.422 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@H](CC(C)C)CC1=O ZINC000744434643 576828150 /nfs/dbraw/zinc/82/81/50/576828150.db2.gz UVUQZHKMYAEBSD-HXUWFJFHSA-N 2 1 345.531 3.422 20 0 EGADMP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000693665692 1298151260 /nfs/dbraw/zinc/15/12/60/1298151260.db2.gz UIRBJITWMQTKFO-VQTJNVASSA-N 3 1 329.532 3.109 20 0 EGADMP CC(C)[C@@H](C[NH3+])CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000693665692 1298151265 /nfs/dbraw/zinc/15/12/65/1298151265.db2.gz UIRBJITWMQTKFO-VQTJNVASSA-N 2 1 329.532 3.109 20 0 EGADMP CC(C)[C@@H](C[NH3+])CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000693665692 1298151271 /nfs/dbraw/zinc/15/12/71/1298151271.db2.gz UIRBJITWMQTKFO-VQTJNVASSA-N 2 1 329.532 3.109 20 0 EGADMP CC[NH+](CC)C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000068448123 1292202536 /nfs/dbraw/zinc/20/25/36/1292202536.db2.gz NGUHXRKIXXJQDJ-LJQANCHMSA-N 2 1 331.504 3.012 20 0 EGADMP Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)c(C)c1 ZINC000076400318 1292428215 /nfs/dbraw/zinc/42/82/15/1292428215.db2.gz FEUUSENWMOPIJL-UHFFFAOYSA-N 2 1 337.511 3.341 20 0 EGADMP [NH3+]CCCCCCC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000828218094 1292443279 /nfs/dbraw/zinc/44/32/79/1292443279.db2.gz WALLMOHZMDLLPE-UHFFFAOYSA-N 2 1 345.531 3.063 20 0 EGADMP CCc1ncc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000084020451 1292698722 /nfs/dbraw/zinc/69/87/22/1292698722.db2.gz HPYSANXZZXHZCH-QGZVFWFLSA-N 2 1 329.513 3.360 20 0 EGADMP CCc1ncc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000084020451 1292698732 /nfs/dbraw/zinc/69/87/32/1292698732.db2.gz HPYSANXZZXHZCH-QGZVFWFLSA-N 2 1 329.513 3.360 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc([S@](C)=O)cc2)c1 ZINC000085312625 1292719703 /nfs/dbraw/zinc/71/97/03/1292719703.db2.gz NFOHPUGIICFTCO-HSZRJFAPSA-N 2 1 330.497 3.166 20 0 EGADMP CO[C@@H]1CC[N@@H+](CCCCCC[NH+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000831534020 1292880012 /nfs/dbraw/zinc/88/00/12/1292880012.db2.gz MLNYNUDUNQYYRL-FGYAAKKASA-N 2 1 340.552 3.260 20 0 EGADMP CO[C@@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000831534020 1292880022 /nfs/dbraw/zinc/88/00/22/1292880022.db2.gz MLNYNUDUNQYYRL-FGYAAKKASA-N 2 1 340.552 3.260 20 0 EGADMP CO[C@@H]1CC[NH+](CCCCCC[N@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000831534020 1292880035 /nfs/dbraw/zinc/88/00/35/1292880035.db2.gz MLNYNUDUNQYYRL-FGYAAKKASA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000105457163 1293036120 /nfs/dbraw/zinc/03/61/20/1293036120.db2.gz QCFLBYIMZYSJSU-OAHLLOKOSA-N 2 1 330.451 3.426 20 0 EGADMP CC(C)(O)[C@H]1CCC[N@H+]1CCCCCC[NH+]1CCC[C@H]1C(C)(C)O ZINC000119199579 1293259729 /nfs/dbraw/zinc/25/97/29/1293259729.db2.gz ACCDAFQYIQXTCH-HDICACEKSA-N 2 1 340.552 3.017 20 0 EGADMP CC(C)(O)[C@H]1CCC[NH+]1CCCCCC[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000119199579 1293259732 /nfs/dbraw/zinc/25/97/32/1293259732.db2.gz ACCDAFQYIQXTCH-HDICACEKSA-N 2 1 340.552 3.017 20 0 EGADMP CC(C)(O)[C@H]1CCC[NH+]1CCCCCC[N@H+]1CCC[C@H]1C(C)(C)O ZINC000119199579 1293259735 /nfs/dbraw/zinc/25/97/35/1293259735.db2.gz ACCDAFQYIQXTCH-HDICACEKSA-N 2 1 340.552 3.017 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000120788638 1293339196 /nfs/dbraw/zinc/33/91/96/1293339196.db2.gz CRRFHIPHPXPULB-KRWDZBQOSA-N 2 1 332.488 3.306 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000120788638 1293339202 /nfs/dbraw/zinc/33/92/02/1293339202.db2.gz CRRFHIPHPXPULB-KRWDZBQOSA-N 2 1 332.488 3.306 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)cc1 ZINC000127405744 1293562768 /nfs/dbraw/zinc/56/27/68/1293562768.db2.gz DHHVTWDWKUTZLQ-PSLXWICFSA-N 2 1 333.501 3.379 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000161418976 1294292151 /nfs/dbraw/zinc/29/21/51/1294292151.db2.gz LKEPWLVGGNUGJV-MRXNPFEDSA-N 2 1 331.287 3.491 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)cc1 ZINC000870865663 1296121123 /nfs/dbraw/zinc/12/11/23/1296121123.db2.gz BOZOZIDAWBUFBP-FFZOFVMBSA-N 2 1 343.515 3.195 20 0 EGADMP C[NH+]1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000237166952 1296225274 /nfs/dbraw/zinc/22/52/74/1296225274.db2.gz UWEYRARZVIRYAV-UHFFFAOYSA-N 2 1 327.255 3.453 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000246012350 1296334666 /nfs/dbraw/zinc/33/46/66/1296334666.db2.gz TZAZHLLULQESLP-GVDBMIGSSA-N 2 1 339.524 3.096 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000247142672 1296383924 /nfs/dbraw/zinc/38/39/24/1296383924.db2.gz WJISPYOAVHSTSL-HLIPFELVSA-N 2 1 346.515 3.409 20 0 EGADMP CCOc1cc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1OC(F)F ZINC000261772049 1296603868 /nfs/dbraw/zinc/60/38/68/1296603868.db2.gz QZLGGPHTVYHZMG-AWEZNQCLSA-N 2 1 328.403 3.118 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1OC(F)F ZINC000261772049 1296603877 /nfs/dbraw/zinc/60/38/77/1296603877.db2.gz QZLGGPHTVYHZMG-AWEZNQCLSA-N 2 1 328.403 3.118 20 0 EGADMP C[NH2+]CCC1CC[NH+](Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000261815596 1296606520 /nfs/dbraw/zinc/60/65/20/1296606520.db2.gz WCVISKUOSVRGJA-UHFFFAOYSA-N 2 1 334.851 3.212 20 0 EGADMP CCC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000261942939 1296610735 /nfs/dbraw/zinc/61/07/35/1296610735.db2.gz MYNOPTWVMUTDNW-SFHVURJKSA-N 2 1 343.515 3.003 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cc(O)ccc1F ZINC000872025488 1296671044 /nfs/dbraw/zinc/67/10/44/1296671044.db2.gz NOSZWQGKWITNCK-AWEZNQCLSA-N 2 1 332.419 3.323 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(C(F)(F)F)co3)C2)C1 ZINC000872145656 1296767771 /nfs/dbraw/zinc/76/77/71/1296767771.db2.gz VWIOQYDXWWGASW-UXIGCNINSA-N 2 1 332.366 3.017 20 0 EGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CC(=O)N2CCCCCC2)C1)C1CCCC1 ZINC000872156599 1296777266 /nfs/dbraw/zinc/77/72/66/1296777266.db2.gz ACOUJQNKHBYYDX-PKOBYXMFSA-N 2 1 335.536 3.009 20 0 EGADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccccc2F)CC1 ZINC000304687132 1296935517 /nfs/dbraw/zinc/93/55/17/1296935517.db2.gz BFEBREKBFLIZPJ-UHFFFAOYSA-N 2 1 328.431 3.072 20 0 EGADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000305378408 1297012699 /nfs/dbraw/zinc/01/26/99/1297012699.db2.gz VTIOCXPLZYKLMC-MSOLQXFVSA-N 2 1 340.870 3.337 20 0 EGADMP CCN1CCC([N@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000305714481 1297032353 /nfs/dbraw/zinc/03/23/53/1297032353.db2.gz TUDLWCBQZIPCPD-INIZCTEOSA-N 2 1 331.287 3.443 20 0 EGADMP CCN1CCC([N@@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000305714481 1297032363 /nfs/dbraw/zinc/03/23/63/1297032363.db2.gz TUDLWCBQZIPCPD-INIZCTEOSA-N 2 1 331.287 3.443 20 0 EGADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000305714481 1297032375 /nfs/dbraw/zinc/03/23/75/1297032375.db2.gz TUDLWCBQZIPCPD-INIZCTEOSA-N 2 1 331.287 3.443 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000305714481 1297032388 /nfs/dbraw/zinc/03/23/88/1297032388.db2.gz TUDLWCBQZIPCPD-INIZCTEOSA-N 2 1 331.287 3.443 20 0 EGADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000309944921 1297081320 /nfs/dbraw/zinc/08/13/20/1297081320.db2.gz CLSNQFQRYPTKFE-CVEARBPZSA-N 2 1 339.524 3.286 20 0 EGADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000309944921 1297081333 /nfs/dbraw/zinc/08/13/33/1297081333.db2.gz CLSNQFQRYPTKFE-CVEARBPZSA-N 2 1 339.524 3.286 20 0 EGADMP C[C@]1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311229003 1297105391 /nfs/dbraw/zinc/10/53/91/1297105391.db2.gz YXRQHUDEEZLLPV-CIAFKFPVSA-N 2 1 341.543 3.409 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000311229003 1297105396 /nfs/dbraw/zinc/10/53/96/1297105396.db2.gz YXRQHUDEEZLLPV-CIAFKFPVSA-N 3 1 341.543 3.409 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311229003 1297105408 /nfs/dbraw/zinc/10/54/08/1297105408.db2.gz YXRQHUDEEZLLPV-CIAFKFPVSA-N 3 1 341.543 3.409 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)[C@H](n2cncn2)C1 ZINC000340469823 1297313581 /nfs/dbraw/zinc/31/35/81/1297313581.db2.gz MJDBFTWWXJWSCK-NZSAHSFTSA-N 2 1 333.524 3.252 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2n2cncn2)c1 ZINC000340476875 1297314845 /nfs/dbraw/zinc/31/48/45/1297314845.db2.gz IPHTWASUMLPMAW-PWIZWCRZSA-N 2 1 341.503 3.249 20 0 EGADMP C[N@H+](Cc1ccc(Br)o1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873201755 1297346499 /nfs/dbraw/zinc/34/64/99/1297346499.db2.gz HMZVSSDXQBBAMI-UHFFFAOYSA-N 2 1 341.274 3.381 20 0 EGADMP C[N@@H+](Cc1ccc(Br)o1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873201755 1297346514 /nfs/dbraw/zinc/34/65/14/1297346514.db2.gz HMZVSSDXQBBAMI-UHFFFAOYSA-N 2 1 341.274 3.381 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](c2ccccc2)O1 ZINC000873204001 1297350260 /nfs/dbraw/zinc/35/02/60/1297350260.db2.gz VZCKMPDJXKATET-KDOFPFPSSA-N 2 1 328.481 3.356 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](c2ccccc2)O1 ZINC000873204001 1297350271 /nfs/dbraw/zinc/35/02/71/1297350271.db2.gz VZCKMPDJXKATET-KDOFPFPSSA-N 2 1 328.481 3.356 20 0 EGADMP C[C@H](c1ccsc1)N1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873209773 1297352926 /nfs/dbraw/zinc/35/29/26/1297352926.db2.gz QOYZCQBDVYTRCW-CQSZACIVSA-N 2 1 347.553 3.334 20 0 EGADMP COC[C@H]([NH2+][C@@H](C)C[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000873222780 1297364212 /nfs/dbraw/zinc/36/42/12/1297364212.db2.gz FTPSUCKCBXXUNH-MAZHCROVSA-N 2 1 341.293 3.257 20 0 EGADMP COC[C@H]([NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000873222781 1297364834 /nfs/dbraw/zinc/36/48/34/1297364834.db2.gz FTPSUCKCBXXUNH-RCBQFDQVSA-N 2 1 341.293 3.257 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260209 1297394692 /nfs/dbraw/zinc/39/46/92/1297394692.db2.gz VOCIMNQUFLFTNR-RQXATKFSSA-N 3 1 327.516 3.017 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260209 1297394706 /nfs/dbraw/zinc/39/47/06/1297394706.db2.gz VOCIMNQUFLFTNR-RQXATKFSSA-N 2 1 327.516 3.017 20 0 EGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Br)cn1 ZINC000873262307 1297396141 /nfs/dbraw/zinc/39/61/41/1297396141.db2.gz LPNFALSWCWPRTQ-JSGCOSHPSA-N 2 1 326.282 3.245 20 0 EGADMP c1sc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc1-c1ccncc1 ZINC000873282725 1297409480 /nfs/dbraw/zinc/40/94/80/1297409480.db2.gz LRSNUHQFYDSWIB-HRCADAONSA-N 2 1 328.485 3.215 20 0 EGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000382726672 1297563278 /nfs/dbraw/zinc/56/32/78/1297563278.db2.gz UMNSRAYCXFTOAG-SFHVURJKSA-N 2 1 345.531 3.134 20 0 EGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000382726672 1297563284 /nfs/dbraw/zinc/56/32/84/1297563284.db2.gz UMNSRAYCXFTOAG-SFHVURJKSA-N 2 1 345.531 3.134 20 0 EGADMP COc1ccc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000383321204 1297570740 /nfs/dbraw/zinc/57/07/40/1297570740.db2.gz CNIFEFRJNNGZRU-HXUWFJFHSA-N 2 1 325.456 3.092 20 0 EGADMP COc1ccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000383321204 1297570746 /nfs/dbraw/zinc/57/07/46/1297570746.db2.gz CNIFEFRJNNGZRU-HXUWFJFHSA-N 2 1 325.456 3.092 20 0 EGADMP C[NH+](C)C1(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CCCC1 ZINC000393894354 1297673871 /nfs/dbraw/zinc/67/38/71/1297673871.db2.gz CQVJXSSMAPXRRX-INIZCTEOSA-N 2 1 339.524 3.240 20 0 EGADMP CC(C)n1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000398040659 1297710946 /nfs/dbraw/zinc/71/09/46/1297710946.db2.gz RTUIQSMXAPFDJH-YLJYHZDGSA-N 2 1 326.488 3.464 20 0 EGADMP CC(C)n1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000398040659 1297710956 /nfs/dbraw/zinc/71/09/56/1297710956.db2.gz RTUIQSMXAPFDJH-YLJYHZDGSA-N 2 1 326.488 3.464 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400328788 1297728762 /nfs/dbraw/zinc/72/87/62/1297728762.db2.gz CFJCJYQLHMPGTJ-JKSUJKDBSA-N 2 1 341.540 3.342 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400323604 1297729796 /nfs/dbraw/zinc/72/97/96/1297729796.db2.gz AQMAABTYBHMQFX-HOTGVXAUSA-N 2 1 341.540 3.340 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400323604 1297729801 /nfs/dbraw/zinc/72/98/01/1297729801.db2.gz AQMAABTYBHMQFX-HOTGVXAUSA-N 2 1 341.540 3.340 20 0 EGADMP C[C@@H]1CN(C(=O)CCCCCC[NH3+])[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000404381520 1297751946 /nfs/dbraw/zinc/75/19/46/1297751946.db2.gz LHUMLKJTRFHAFP-GUDVDZBRSA-N 2 1 345.531 3.406 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405248647 1297764791 /nfs/dbraw/zinc/76/47/91/1297764791.db2.gz IQDUIYOFVVJYRX-FHWLQOOXSA-N 2 1 327.516 3.147 20 0 EGADMP CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C12CCC2 ZINC000453107594 1297890258 /nfs/dbraw/zinc/89/02/58/1297890258.db2.gz LLKGCDWIBOZSBC-XUVXKRRUSA-N 2 1 328.500 3.098 20 0 EGADMP C[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1)[C@H](C)[NH3+] ZINC000493992931 1297949065 /nfs/dbraw/zinc/94/90/65/1297949065.db2.gz REGPLNTZOIZQHM-MSOLQXFVSA-N 2 1 343.515 3.017 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000522851137 1297986740 /nfs/dbraw/zinc/98/67/40/1297986740.db2.gz LCPNGKZNNXHHEZ-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000522851137 1297986751 /nfs/dbraw/zinc/98/67/51/1297986751.db2.gz LCPNGKZNNXHHEZ-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000522851137 1297986762 /nfs/dbraw/zinc/98/67/62/1297986762.db2.gz LCPNGKZNNXHHEZ-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000701920573 1298191177 /nfs/dbraw/zinc/19/11/77/1298191177.db2.gz SMJIUCPUUHAKNU-INIZCTEOSA-N 2 1 344.480 3.146 20 0 EGADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000701920573 1298191183 /nfs/dbraw/zinc/19/11/83/1298191183.db2.gz SMJIUCPUUHAKNU-INIZCTEOSA-N 2 1 344.480 3.146 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000708566780 1298243511 /nfs/dbraw/zinc/24/35/11/1298243511.db2.gz UBHOEDFPGGRIRR-FXAWDEMLSA-N 2 1 340.515 3.496 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000708566780 1298243521 /nfs/dbraw/zinc/24/35/21/1298243521.db2.gz UBHOEDFPGGRIRR-FXAWDEMLSA-N 2 1 340.515 3.496 20 0 EGADMP [NH3+]CCCCCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715050785 1298277658 /nfs/dbraw/zinc/27/76/58/1298277658.db2.gz LGBUEPAFXHGJEU-WOJBJXKFSA-N 2 1 343.515 3.019 20 0 EGADMP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000717501621 1298302889 /nfs/dbraw/zinc/30/28/89/1298302889.db2.gz FTSIYBOWPZCWSB-PXNSSMCTSA-N 2 1 345.531 3.121 20 0 EGADMP CC(C)[C@H](C(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H](C)[NH3+] ZINC000719928718 1298326067 /nfs/dbraw/zinc/32/60/67/1298326067.db2.gz XIWHYQPQMUVNQF-HOJAQTOUSA-N 2 1 345.531 3.119 20 0 EGADMP C[NH+](C)[C@H]1CCCN(C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000857192222 1328524450 /nfs/dbraw/zinc/52/44/50/1328524450.db2.gz FCVAICOPVSNXOZ-PMACEKPBSA-N 2 1 343.515 3.052 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000876810771 1299006436 /nfs/dbraw/zinc/00/64/36/1299006436.db2.gz DLTPFSIZWGFSOA-IRFCIJBXSA-N 2 1 346.515 3.467 20 0 EGADMP CO[C@H](CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C1CC1 ZINC000876865568 1299040114 /nfs/dbraw/zinc/04/01/14/1299040114.db2.gz CKTGNLJQMJMSRK-HXUWFJFHSA-N 2 1 331.504 3.302 20 0 EGADMP CCC(CC)(CNC(=O)OC(C)(C)C)C[NH2+]C1CC[NH+](C)CC1 ZINC000876897320 1299056029 /nfs/dbraw/zinc/05/60/29/1299056029.db2.gz AYYOJDNFYWYWQV-UHFFFAOYSA-N 2 1 327.513 3.001 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccco1 ZINC000876916445 1299066591 /nfs/dbraw/zinc/06/65/91/1299066591.db2.gz BQHRNQMXGIBYNO-BHIYHBOVSA-N 2 1 326.440 3.271 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccco1 ZINC000876916445 1299066601 /nfs/dbraw/zinc/06/66/01/1299066601.db2.gz BQHRNQMXGIBYNO-BHIYHBOVSA-N 2 1 326.440 3.271 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H]3CC3(Cl)Cl)c2)CCO1 ZINC000876970803 1299094965 /nfs/dbraw/zinc/09/49/65/1299094965.db2.gz ZAOSWKBUBVNFBX-BBRMVZONSA-N 2 1 343.298 3.191 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H]3CC3(Cl)Cl)c2)CCO1 ZINC000876970803 1299094978 /nfs/dbraw/zinc/09/49/78/1299094978.db2.gz ZAOSWKBUBVNFBX-BBRMVZONSA-N 2 1 343.298 3.191 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000876988563 1299101848 /nfs/dbraw/zinc/10/18/48/1299101848.db2.gz GSKCEOBAPUNWCK-MRXNPFEDSA-N 2 1 339.524 3.003 20 0 EGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000878167718 1299792697 /nfs/dbraw/zinc/79/26/97/1299792697.db2.gz YRTZXLNZBDTFIJ-PKOBYXMFSA-N 2 1 331.504 3.010 20 0 EGADMP COC(=O)Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754462305 1300148921 /nfs/dbraw/zinc/14/89/21/1300148921.db2.gz FAHGKDPYTIDTMX-QFBILLFUSA-N 2 1 344.499 3.145 20 0 EGADMP O[C@@H](C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)c(F)c1 ZINC000878746851 1300171369 /nfs/dbraw/zinc/17/13/69/1300171369.db2.gz HIIIAGIZRNEJEV-SFHVURJKSA-N 2 1 349.837 3.120 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000755064275 1300278211 /nfs/dbraw/zinc/27/82/11/1300278211.db2.gz KKUZOBWNFKNNED-IAGOWNOFSA-N 2 1 341.540 3.344 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000755064275 1300278222 /nfs/dbraw/zinc/27/82/22/1300278222.db2.gz KKUZOBWNFKNNED-IAGOWNOFSA-N 2 1 341.540 3.344 20 0 EGADMP FC(F)(F)[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000761056451 1301395014 /nfs/dbraw/zinc/39/50/14/1301395014.db2.gz XMSLSFZHBNBPRH-ZLLARURESA-N 2 1 330.316 3.311 20 0 EGADMP FC(F)(F)[C@@H]1CC[N@@H+](C/C=C\C[NH+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000761056451 1301395023 /nfs/dbraw/zinc/39/50/23/1301395023.db2.gz XMSLSFZHBNBPRH-ZLLARURESA-N 2 1 330.316 3.311 20 0 EGADMP FC(F)(F)[C@@H]1CC[N@H+](C/C=C\C[NH+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000761056451 1301395037 /nfs/dbraw/zinc/39/50/37/1301395037.db2.gz XMSLSFZHBNBPRH-ZLLARURESA-N 2 1 330.316 3.311 20 0 EGADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CCC2OCCCO2)CC3)cc1 ZINC000762925202 1301786082 /nfs/dbraw/zinc/78/60/82/1301786082.db2.gz DLKZQSDQBCRIQT-UHFFFAOYSA-N 2 1 344.499 3.128 20 0 EGADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000767500396 1302694639 /nfs/dbraw/zinc/69/46/39/1302694639.db2.gz HVXOEFJFSGIHSH-IXDOHACOSA-N 2 1 339.524 3.096 20 0 EGADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000767500396 1302694653 /nfs/dbraw/zinc/69/46/53/1302694653.db2.gz HVXOEFJFSGIHSH-IXDOHACOSA-N 2 1 339.524 3.096 20 0 EGADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000767500396 1302694668 /nfs/dbraw/zinc/69/46/68/1302694668.db2.gz HVXOEFJFSGIHSH-IXDOHACOSA-N 2 1 339.524 3.096 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CN2C[C@H](C3CC3)CC2=O)CC1)CC1CC1 ZINC000770687351 1303306444 /nfs/dbraw/zinc/30/64/44/1303306444.db2.gz QKCBQOYJTCEQEO-HXUWFJFHSA-N 2 1 347.547 3.036 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(Cl)cn3)CC2)oc1C ZINC000885979420 1303307000 /nfs/dbraw/zinc/30/70/00/1303307000.db2.gz CINMAWAQPLQRIN-UHFFFAOYSA-N 2 1 348.878 3.342 20 0 EGADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)Cc3cccc(Cl)c3)CC2)[nH+]c1C ZINC000886661628 1303542817 /nfs/dbraw/zinc/54/28/17/1303542817.db2.gz ZEPLMIVZTZAOCO-SFHVURJKSA-N 2 1 347.890 3.463 20 0 EGADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)c3ccc(F)cc3F)CC2)[nH+]c1C ZINC000886668247 1303547482 /nfs/dbraw/zinc/54/74/82/1303547482.db2.gz PLBDBLSNYBATRD-QGZVFWFLSA-N 2 1 335.398 3.218 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000775375997 1303948921 /nfs/dbraw/zinc/94/89/21/1303948921.db2.gz QYQWGPPSPOWLGC-JJTUDDRGSA-N 2 1 328.591 3.324 20 0 EGADMP C[C@@H]1C[C@H](Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC[N@H+]1C ZINC000777697663 1304336593 /nfs/dbraw/zinc/33/65/93/1304336593.db2.gz YNPFKBFULLVSOC-YLJYHZDGSA-N 2 1 344.547 3.359 20 0 EGADMP C[C@@H]1C[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CC[N@@H+]1C ZINC000777697663 1304336597 /nfs/dbraw/zinc/33/65/97/1304336597.db2.gz YNPFKBFULLVSOC-YLJYHZDGSA-N 3 1 344.547 3.359 20 0 EGADMP C[C@@H]1C[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CC[N@H+]1C ZINC000777697663 1304336599 /nfs/dbraw/zinc/33/65/99/1304336599.db2.gz YNPFKBFULLVSOC-YLJYHZDGSA-N 3 1 344.547 3.359 20 0 EGADMP C[C@H](NC(=O)CCCC[NH+]1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781203310 1304790199 /nfs/dbraw/zinc/79/01/99/1304790199.db2.gz DAIVEUDMTKIABK-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(C)(C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000782188796 1304928222 /nfs/dbraw/zinc/92/82/22/1304928222.db2.gz PYRCRIARHIPBED-JKSUJKDBSA-N 2 1 341.540 3.342 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000782188796 1304928224 /nfs/dbraw/zinc/92/82/24/1304928224.db2.gz PYRCRIARHIPBED-JKSUJKDBSA-N 2 1 341.540 3.342 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000782188796 1304928226 /nfs/dbraw/zinc/92/82/26/1304928226.db2.gz PYRCRIARHIPBED-JKSUJKDBSA-N 2 1 341.540 3.342 20 0 EGADMP CC[NH+](CC)CCCC1CCN(c2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000782382168 1304966653 /nfs/dbraw/zinc/96/66/53/1304966653.db2.gz QVDQFMIEAVWHIM-UHFFFAOYSA-N 2 1 345.535 3.415 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](O)c1c(F)cccc1Cl ZINC000893087949 1305700119 /nfs/dbraw/zinc/70/01/19/1305700119.db2.gz HODBORHHZSPZQA-ZAOFQPKFSA-N 2 1 326.843 3.116 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](O)c1c(F)cccc1Cl ZINC000893087949 1305700130 /nfs/dbraw/zinc/70/01/30/1305700130.db2.gz HODBORHHZSPZQA-ZAOFQPKFSA-N 2 1 326.843 3.116 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000787302652 1305729130 /nfs/dbraw/zinc/72/91/30/1305729130.db2.gz JPAAHOHJCNTEIR-SESVDKBCSA-N 2 1 348.531 3.063 20 0 EGADMP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ccc2NC1=O ZINC000893356145 1305846943 /nfs/dbraw/zinc/84/69/43/1305846943.db2.gz KAZKIXXWSZBTOH-WUSVYZNTSA-N 2 1 343.471 3.072 20 0 EGADMP CCn1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000893412266 1305883358 /nfs/dbraw/zinc/88/33/58/1305883358.db2.gz LQZGQRUOSCWLNV-APWZRJJASA-N 2 1 326.488 3.212 20 0 EGADMP O[C@@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cccc(F)c1 ZINC000789358744 1306147286 /nfs/dbraw/zinc/14/72/86/1306147286.db2.gz USQWLOPLWPDYNU-IBGZPJMESA-N 2 1 343.446 3.272 20 0 EGADMP C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894943719 1309131642 /nfs/dbraw/zinc/13/16/42/1309131642.db2.gz GQEXYVJBDVMQDT-DXJOGWAWSA-N 2 1 329.463 3.463 20 0 EGADMP Cc1ccc(C2=NO[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1C ZINC000895496705 1309370603 /nfs/dbraw/zinc/37/06/03/1309370603.db2.gz AHJJKROOTBMPOT-FHWLQOOXSA-N 2 1 327.472 3.013 20 0 EGADMP Cc1ccc(C2=NO[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1C ZINC000895496705 1309370610 /nfs/dbraw/zinc/37/06/10/1309370610.db2.gz AHJJKROOTBMPOT-FHWLQOOXSA-N 2 1 327.472 3.013 20 0 EGADMP COc1ccc(C2=NO[C@H](C[NH2+]C3CC[NH+](C(C)(C)C)CC3)C2)cc1 ZINC000895497220 1309372867 /nfs/dbraw/zinc/37/28/67/1309372867.db2.gz YLRKBLDAKVNKML-SFHVURJKSA-N 2 1 345.487 3.041 20 0 EGADMP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC1)CC1CC1 ZINC000897299565 1310278586 /nfs/dbraw/zinc/27/85/86/1310278586.db2.gz JYIWAYGMCOSRIA-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1)CC1CC1 ZINC000897299565 1310278587 /nfs/dbraw/zinc/27/85/87/1310278587.db2.gz JYIWAYGMCOSRIA-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](CCCc3ccc4c(c3)CCO4)C2)CC1 ZINC000798956880 1310463424 /nfs/dbraw/zinc/46/34/24/1310463424.db2.gz GMKXHGWXEMSYAT-UHFFFAOYSA-N 2 1 328.500 3.362 20 0 EGADMP COc1cc2c(cc1C[N@H+]1CCCC3(CC[NH+](C)CC3)C1)O[C@H](C)C2 ZINC000798957480 1310463720 /nfs/dbraw/zinc/46/37/20/1310463720.db2.gz XZVAICCOOQDPNF-MRXNPFEDSA-N 2 1 344.499 3.326 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](CCCOCCc3ccccc3)C2)CC1 ZINC000799177048 1310500617 /nfs/dbraw/zinc/50/06/17/1310500617.db2.gz IZPWQDIDUJOZPQ-UHFFFAOYSA-N 2 1 330.516 3.444 20 0 EGADMP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898386848 1310702181 /nfs/dbraw/zinc/70/21/81/1310702181.db2.gz JDRNAXWIXLROCM-DGEVVOEJSA-N 2 1 336.479 3.145 20 0 EGADMP CC[NH+](CC)CCOc1cccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000898704494 1310828299 /nfs/dbraw/zinc/82/82/99/1310828299.db2.gz VJEYOBVVHYBTGX-MOPGFXCFSA-N 2 1 331.504 3.446 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000827602499 1320462245 /nfs/dbraw/zinc/46/22/45/1320462245.db2.gz WQYNBJNXNCZYGW-BZUAXINKSA-N 2 1 348.362 3.061 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001018938708 1316980819 /nfs/dbraw/zinc/98/08/19/1316980819.db2.gz ZCRBVMGDEVHRTG-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CN(C)c1ncc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2ccccc21 ZINC000929694313 1328670463 /nfs/dbraw/zinc/67/04/63/1328670463.db2.gz ADEIAXDMPDEWDX-KRWDZBQOSA-N 2 1 338.499 3.219 20 0 EGADMP CN(C)c1ncc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2ccccc21 ZINC000929694313 1328670464 /nfs/dbraw/zinc/67/04/64/1328670464.db2.gz ADEIAXDMPDEWDX-KRWDZBQOSA-N 2 1 338.499 3.219 20 0 EGADMP CCN(C(=O)C1CC[NH+](C(C)C)CC1)C1C[NH+](CC2=CCCCC2)C1 ZINC000957073346 1317171201 /nfs/dbraw/zinc/17/12/01/1317171201.db2.gz PRIBDMJUUJNEJZ-UHFFFAOYSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001019452963 1317251686 /nfs/dbraw/zinc/25/16/86/1317251686.db2.gz UEXRNACHKNFJNQ-SFHVURJKSA-N 2 1 344.503 3.088 20 0 EGADMP O=C(N1CC[C@H]([NH2+]CCC2CCCCCC2)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001019713260 1317362732 /nfs/dbraw/zinc/36/27/32/1317362732.db2.gz UVWGIQMKHWFJSZ-FPOVZHCZSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000901291120 1317401622 /nfs/dbraw/zinc/40/16/22/1317401622.db2.gz FJRUDIBKNHCKKO-PMACEKPBSA-N 2 1 341.499 3.280 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)CC1 ZINC000957552137 1317447708 /nfs/dbraw/zinc/44/77/08/1317447708.db2.gz GFEUWQHTNJNWNR-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC2(CC1)CC[NH+](CC)CC2 ZINC000957552207 1317448738 /nfs/dbraw/zinc/44/87/38/1317448738.db2.gz IWQPUOJAICPZRJ-QGZVFWFLSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC2)CC1 ZINC000957559123 1317456368 /nfs/dbraw/zinc/45/63/68/1317456368.db2.gz BXLQLACSEXIJRS-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)CC1 ZINC000957573343 1317471196 /nfs/dbraw/zinc/47/11/96/1317471196.db2.gz TUOMVDWOITVQFF-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ccccc1CN1CCC([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902349851 1317566290 /nfs/dbraw/zinc/56/62/90/1317566290.db2.gz RYGXGXQJDZFQEK-HXUWFJFHSA-N 2 1 329.532 3.327 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3ccccc3C)C2)CC[N@H+]1C ZINC001020174624 1317574689 /nfs/dbraw/zinc/57/46/89/1317574689.db2.gz JOYXPFPPVLFSSD-VDWQKOAOSA-N 2 1 343.515 3.023 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001020214528 1317596099 /nfs/dbraw/zinc/59/60/99/1317596099.db2.gz VYJMSYVKZPBKSI-JPLJXNOCSA-N 2 1 343.515 3.167 20 0 EGADMP CC[N@@H+](CC1CCC1)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000957760158 1317627687 /nfs/dbraw/zinc/62/76/87/1317627687.db2.gz QWMDNNSSABFGNW-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1)C(C)C ZINC000957762623 1317629223 /nfs/dbraw/zinc/62/92/23/1317629223.db2.gz FUIHCBJPZQPHOF-UHFFFAOYSA-N 2 1 345.531 3.331 20 0 EGADMP c1cnn(Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903060472 1317644096 /nfs/dbraw/zinc/64/40/96/1317644096.db2.gz ZLGDOZJONCXBBA-VCSGRIEYSA-N 2 1 336.483 3.179 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[NH+]1CCCC1 ZINC000957782698 1317644746 /nfs/dbraw/zinc/64/47/46/1317644746.db2.gz PLGIZHCGLSBNAA-AZUAARDMSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000903071961 1317648080 /nfs/dbraw/zinc/64/80/80/1317648080.db2.gz HBEUJNMFRKKAED-ZEIDCXACSA-N 2 1 339.483 3.380 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001020340441 1317652124 /nfs/dbraw/zinc/65/21/24/1317652124.db2.gz PRLXMNTZRXQFNN-PWKSQPCKSA-N 2 1 349.563 3.170 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]2CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903098881 1317652992 /nfs/dbraw/zinc/65/29/92/1317652992.db2.gz UYMUNJMDOGHJQB-ZXJUBJKJSA-N 2 1 339.527 3.398 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]2CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)cc1 ZINC000903098881 1317653003 /nfs/dbraw/zinc/65/30/03/1317653003.db2.gz UYMUNJMDOGHJQB-ZXJUBJKJSA-N 2 1 339.527 3.398 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]2CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)cc1 ZINC000903098881 1317653008 /nfs/dbraw/zinc/65/30/08/1317653008.db2.gz UYMUNJMDOGHJQB-ZXJUBJKJSA-N 2 1 339.527 3.398 20 0 EGADMP c1ccc(CN2CCC[C@@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903098881 1317653016 /nfs/dbraw/zinc/65/30/16/1317653016.db2.gz UYMUNJMDOGHJQB-ZXJUBJKJSA-N 2 1 339.527 3.398 20 0 EGADMP c1ccc(CN2CCC[C@@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903098881 1317653023 /nfs/dbraw/zinc/65/30/23/1317653023.db2.gz UYMUNJMDOGHJQB-ZXJUBJKJSA-N 2 1 339.527 3.398 20 0 EGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc3c(s1)CCC3)C2 ZINC000903115708 1317655600 /nfs/dbraw/zinc/65/56/00/1317655600.db2.gz NZOBCDSHIKQAHM-AVQZXHFCSA-N 2 1 348.556 3.367 20 0 EGADMP CC[C@H]([NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O)c1ccc(OC)cc1 ZINC000903117345 1317656407 /nfs/dbraw/zinc/65/64/07/1317656407.db2.gz LKWYXGHRBSOWEB-ZPAWYTMASA-N 2 1 346.515 3.216 20 0 EGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000903120250 1317657224 /nfs/dbraw/zinc/65/72/24/1317657224.db2.gz VSZKOEXTAILHJX-QSUVIHHLSA-N 2 1 328.500 3.052 20 0 EGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000903118900 1317657347 /nfs/dbraw/zinc/65/73/47/1317657347.db2.gz YEFAGNPNMBERMD-ZNLXNUBKSA-N 2 1 334.479 3.264 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CCO)cc1 ZINC000903396188 1317695664 /nfs/dbraw/zinc/69/56/64/1317695664.db2.gz KJTVVJGJPMLSDN-GCJKJVERSA-N 2 1 338.495 3.222 20 0 EGADMP c1ccc(CC[C@H]2CCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903723568 1317724616 /nfs/dbraw/zinc/72/46/16/1317724616.db2.gz IOXPFQMVYJGECJ-UXHICEINSA-N 2 1 328.500 3.242 20 0 EGADMP Cc1ccc([C@H]2CSCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903730520 1317726934 /nfs/dbraw/zinc/72/69/34/1317726934.db2.gz WYEYYZMLVYJPOV-RTBURBONSA-N 2 1 346.540 3.244 20 0 EGADMP Cc1ccc(C[C@@H]2CCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903730391 1317727375 /nfs/dbraw/zinc/72/73/75/1317727375.db2.gz WBVLBAJUAIOTBT-VQTJNVASSA-N 2 1 328.500 3.161 20 0 EGADMP COc1ccccc1[C@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729400 1317727483 /nfs/dbraw/zinc/72/74/83/1317727483.db2.gz MEGMHWFJGTWZED-IEBWSBKVSA-N 2 1 344.499 3.381 20 0 EGADMP CC(C)c1csc([C@@H]2CCC[N@@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903739682 1317728384 /nfs/dbraw/zinc/72/83/84/1317728384.db2.gz NXXUTDDKRAIXRF-GPMSIDNRSA-N 2 1 349.544 3.215 20 0 EGADMP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818275 1317737729 /nfs/dbraw/zinc/73/77/29/1317737729.db2.gz FDOFOKHZZRQCKJ-UHFFFAOYSA-N 2 1 331.504 3.112 20 0 EGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818275 1317737733 /nfs/dbraw/zinc/73/77/33/1317737733.db2.gz FDOFOKHZZRQCKJ-UHFFFAOYSA-N 2 1 331.504 3.112 20 0 EGADMP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903922642 1317749532 /nfs/dbraw/zinc/74/95/32/1317749532.db2.gz BDDVZWGNNPCIAB-WCBMZHEXSA-N 2 1 339.199 3.091 20 0 EGADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903899096 1317745399 /nfs/dbraw/zinc/74/53/99/1317745399.db2.gz RKWHVORILIZNBZ-PZJWPPBQSA-N 2 1 342.531 3.107 20 0 EGADMP CC[C@H](C[NH2+]C[C@@H]([NH3+])CC(F)F)Oc1ccccc1C(F)(F)F ZINC000903920014 1317748577 /nfs/dbraw/zinc/74/85/77/1317748577.db2.gz GOBRPSFRYORVES-WDEREUQCSA-N 2 1 340.336 3.435 20 0 EGADMP CN(C)c1ccc(N2CCC([NH2+]C[C@@H]3CCCC[N@@H+](C)C3)CC2)cc1 ZINC000858245271 1328720855 /nfs/dbraw/zinc/72/08/55/1328720855.db2.gz FYDGSIMLQZBFDD-SFHVURJKSA-N 3 1 344.547 3.043 20 0 EGADMP C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)c1ccc(Cl)cc1 ZINC001020586036 1317790670 /nfs/dbraw/zinc/79/06/70/1317790670.db2.gz COTSYQCZGCOOQI-DACLVMHWSA-N 2 1 349.906 3.122 20 0 EGADMP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001020591485 1317791856 /nfs/dbraw/zinc/79/18/56/1317791856.db2.gz OVGUIRJORUBQCE-VJANTYMQSA-N 2 1 349.563 3.172 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)c1 ZINC001020587463 1317792501 /nfs/dbraw/zinc/79/25/01/1317792501.db2.gz HBPJCOGPPBVPPL-RDGPPVDQSA-N 2 1 343.515 3.086 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420452 1317844418 /nfs/dbraw/zinc/84/44/18/1317844418.db2.gz OWENBSVSOPEFLA-JKSUJKDBSA-N 2 1 344.890 3.184 20 0 EGADMP CC[C@@H](C)C[C@@H]([NH3+])c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000904603163 1317867636 /nfs/dbraw/zinc/86/76/36/1317867636.db2.gz CRBCGPWDNVBAFZ-UKRRQHHQSA-N 2 1 332.448 3.113 20 0 EGADMP C[C@H](CCNC(=O)Nc1ccccc1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000904653424 1317876523 /nfs/dbraw/zinc/87/65/23/1317876523.db2.gz ZJKMFPYZWLYPNE-MRXNPFEDSA-N 2 1 340.471 3.177 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cnc(C(C)(C)C)nc2)cc1 ZINC000809738828 1317884846 /nfs/dbraw/zinc/88/48/46/1317884846.db2.gz LXZRFBGJZOSVIT-UHFFFAOYSA-N 2 1 326.488 3.468 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cnc(C(C)(C)C)nc2)cc1 ZINC000809738828 1317884851 /nfs/dbraw/zinc/88/48/51/1317884851.db2.gz LXZRFBGJZOSVIT-UHFFFAOYSA-N 2 1 326.488 3.468 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000809757851 1317893709 /nfs/dbraw/zinc/89/37/09/1317893709.db2.gz ZFUYWRAZINYJBA-QGZVFWFLSA-N 2 1 341.540 3.297 20 0 EGADMP [NH3+][C@@H](Cc1cc2ccccc2o1)c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000905310992 1317947357 /nfs/dbraw/zinc/94/73/57/1317947357.db2.gz QPKUYGQOKXVKOW-HUORLRHWSA-N 2 1 338.411 3.056 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000810172990 1317969096 /nfs/dbraw/zinc/96/90/96/1317969096.db2.gz TTXMASRQFFWVLY-KLAILNCOSA-N 2 1 341.540 3.388 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000810172990 1317969100 /nfs/dbraw/zinc/96/91/00/1317969100.db2.gz TTXMASRQFFWVLY-KLAILNCOSA-N 2 1 341.540 3.388 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000810245084 1317985849 /nfs/dbraw/zinc/98/58/49/1317985849.db2.gz QFCFXJXXQSPRLC-RRFJBIMHSA-N 2 1 334.451 3.062 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000810245084 1317985855 /nfs/dbraw/zinc/98/58/55/1317985855.db2.gz QFCFXJXXQSPRLC-RRFJBIMHSA-N 2 1 334.451 3.062 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001021380491 1318222855 /nfs/dbraw/zinc/22/28/55/1318222855.db2.gz IJIYGVUXBHXSTI-VOBGVNJCSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001021380491 1318222861 /nfs/dbraw/zinc/22/28/61/1318222861.db2.gz IJIYGVUXBHXSTI-VOBGVNJCSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC000959925391 1318268644 /nfs/dbraw/zinc/26/86/44/1318268644.db2.gz NJQKFQDVBGIADS-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001021470004 1318269838 /nfs/dbraw/zinc/26/98/38/1318269838.db2.gz QWDDTDNQUJJZOH-XVLXNVKGSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001021470004 1318269846 /nfs/dbraw/zinc/26/98/46/1318269846.db2.gz QWDDTDNQUJJZOH-XVLXNVKGSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001021470004 1318269852 /nfs/dbraw/zinc/26/98/52/1318269852.db2.gz QWDDTDNQUJJZOH-XVLXNVKGSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000960014756 1318312189 /nfs/dbraw/zinc/31/21/89/1318312189.db2.gz YWSXACXQZMZOHK-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP COc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000909020003 1318427379 /nfs/dbraw/zinc/42/73/79/1318427379.db2.gz KNDFJMXVSZQVTD-AZUAARDMSA-N 2 1 332.488 3.069 20 0 EGADMP COc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000909020003 1318427383 /nfs/dbraw/zinc/42/73/83/1318427383.db2.gz KNDFJMXVSZQVTD-AZUAARDMSA-N 2 1 332.488 3.069 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021605791 1318453583 /nfs/dbraw/zinc/45/35/83/1318453583.db2.gz NMNHOHAMBXURKX-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021605791 1318453588 /nfs/dbraw/zinc/45/35/88/1318453588.db2.gz NMNHOHAMBXURKX-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021605791 1318453597 /nfs/dbraw/zinc/45/35/97/1318453597.db2.gz NMNHOHAMBXURKX-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[NH+](CC)C[C@H]2C)cc1 ZINC000910285563 1318597469 /nfs/dbraw/zinc/59/74/69/1318597469.db2.gz RTKNKJQYDOBMSP-GOSISDBHSA-N 2 1 345.531 3.475 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](CC)C[C@H]2C)cc1 ZINC000910285563 1318597477 /nfs/dbraw/zinc/59/74/77/1318597477.db2.gz RTKNKJQYDOBMSP-GOSISDBHSA-N 2 1 345.531 3.475 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](CC)C[C@H]2C)cc1 ZINC000910285563 1318597488 /nfs/dbraw/zinc/59/74/88/1318597488.db2.gz RTKNKJQYDOBMSP-GOSISDBHSA-N 2 1 345.531 3.475 20 0 EGADMP CC(C)[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021742119 1318654596 /nfs/dbraw/zinc/65/45/96/1318654596.db2.gz JWTVBIGZAVHPCM-UXHICEINSA-N 2 1 343.515 3.083 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001021906734 1318727786 /nfs/dbraw/zinc/72/77/86/1318727786.db2.gz XARNKPGMIKZGGV-XCLNPWKQSA-N 2 1 343.515 3.202 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC000960630019 1318755454 /nfs/dbraw/zinc/75/54/54/1318755454.db2.gz VCPKRZVJTDUSMK-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC000960630019 1318755463 /nfs/dbraw/zinc/75/54/63/1318755463.db2.gz VCPKRZVJTDUSMK-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000960630019 1318755472 /nfs/dbraw/zinc/75/54/72/1318755472.db2.gz VCPKRZVJTDUSMK-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccsc1 ZINC000960666476 1318782990 /nfs/dbraw/zinc/78/29/90/1318782990.db2.gz RJESQBFNTQJNJZ-QZTJIDSGSA-N 2 1 349.544 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccsc1 ZINC000960666476 1318783001 /nfs/dbraw/zinc/78/30/01/1318783001.db2.gz RJESQBFNTQJNJZ-QZTJIDSGSA-N 2 1 349.544 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccsc1 ZINC000960666476 1318783007 /nfs/dbraw/zinc/78/30/07/1318783007.db2.gz RJESQBFNTQJNJZ-QZTJIDSGSA-N 2 1 349.544 3.045 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001022279420 1318872867 /nfs/dbraw/zinc/87/28/67/1318872867.db2.gz XYVYBNYESACPTB-IYWMVGAKSA-N 2 1 347.547 3.211 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001022589457 1319005078 /nfs/dbraw/zinc/00/50/78/1319005078.db2.gz XBQLSIODICSMGE-WSTZPKSXSA-N 2 1 347.547 3.211 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(C)cc(C)c1)[NH+](C)C ZINC000960868363 1319013417 /nfs/dbraw/zinc/01/34/17/1319013417.db2.gz IRLIALHOSGOPRW-UXHICEINSA-N 2 1 345.531 3.066 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001022958661 1319188771 /nfs/dbraw/zinc/18/87/71/1319188771.db2.gz RRMOOANFYWXVBQ-HSALFYBXSA-N 2 1 349.563 3.458 20 0 EGADMP CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961256095 1319403227 /nfs/dbraw/zinc/40/32/27/1319403227.db2.gz HJHDNBSWKWTUDR-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961256096 1319403674 /nfs/dbraw/zinc/40/36/74/1319403674.db2.gz HJHDNBSWKWTUDR-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP Fc1cccc(F)c1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817902774 1319456520 /nfs/dbraw/zinc/45/65/20/1319456520.db2.gz XZPPALBXBMKHKN-MJGOQNOKSA-N 2 1 330.378 3.310 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3COC4(CCCCC4)O3)CC[NH2+]2)cc1 ZINC000817919782 1319460085 /nfs/dbraw/zinc/46/00/85/1319460085.db2.gz YDMWCRYXROWIFL-QYZOEREBSA-N 2 1 330.472 3.145 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000817918254 1319460261 /nfs/dbraw/zinc/46/02/61/1319460261.db2.gz XKWZHXOHBDZTNX-UYHISHBKSA-N 2 1 336.838 3.061 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023364357 1319475902 /nfs/dbraw/zinc/47/59/02/1319475902.db2.gz JKGXHOCKFSFBSV-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001023364357 1319475907 /nfs/dbraw/zinc/47/59/07/1319475907.db2.gz JKGXHOCKFSFBSV-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001023364357 1319475910 /nfs/dbraw/zinc/47/59/10/1319475910.db2.gz JKGXHOCKFSFBSV-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000817960519 1319478249 /nfs/dbraw/zinc/47/82/49/1319478249.db2.gz MKFYRWNPOBHJEI-OAHLLOKOSA-N 2 1 330.476 3.108 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2)cc1C[NH+]1CCCCC1 ZINC000817976787 1319484450 /nfs/dbraw/zinc/48/44/50/1319484450.db2.gz UAEYKSOEHMPMOC-MNEFBYGVSA-N 2 1 349.494 3.032 20 0 EGADMP O=C(NC[C@@H]1CCC[N@@H+](CCC2CC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001023414499 1319518962 /nfs/dbraw/zinc/51/89/62/1319518962.db2.gz UWPSSTVQBTXULO-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+](CCC2CC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001023414499 1319518969 /nfs/dbraw/zinc/51/89/69/1319518969.db2.gz UWPSSTVQBTXULO-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+](CCC2CC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001023414499 1319518978 /nfs/dbraw/zinc/51/89/78/1319518978.db2.gz UWPSSTVQBTXULO-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961363888 1319520294 /nfs/dbraw/zinc/52/02/94/1319520294.db2.gz CDJIEYGXHOHBJS-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000961363888 1319520302 /nfs/dbraw/zinc/52/03/02/1319520302.db2.gz CDJIEYGXHOHBJS-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000961363888 1319520308 /nfs/dbraw/zinc/52/03/08/1319520308.db2.gz CDJIEYGXHOHBJS-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961377010 1319532628 /nfs/dbraw/zinc/53/26/28/1319532628.db2.gz VMVRHUZAKZYBTB-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000961377010 1319532635 /nfs/dbraw/zinc/53/26/35/1319532635.db2.gz VMVRHUZAKZYBTB-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000961377010 1319532640 /nfs/dbraw/zinc/53/26/40/1319532640.db2.gz VMVRHUZAKZYBTB-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961377012 1319533097 /nfs/dbraw/zinc/53/30/97/1319533097.db2.gz VMVRHUZAKZYBTB-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000961377012 1319533109 /nfs/dbraw/zinc/53/31/09/1319533109.db2.gz VMVRHUZAKZYBTB-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000961377012 1319533115 /nfs/dbraw/zinc/53/31/15/1319533115.db2.gz VMVRHUZAKZYBTB-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961376342 1319533667 /nfs/dbraw/zinc/53/36/67/1319533667.db2.gz RYSKHOIABJOEDT-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000961376342 1319533675 /nfs/dbraw/zinc/53/36/75/1319533675.db2.gz RYSKHOIABJOEDT-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000961376342 1319533682 /nfs/dbraw/zinc/53/36/82/1319533682.db2.gz RYSKHOIABJOEDT-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([C@H]3CCC[NH+](CC)C3)CC2)C1 ZINC000961397232 1319551523 /nfs/dbraw/zinc/55/15/23/1319551523.db2.gz SKPXSUMTTIECNK-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC([C@H]3CCC[N@H+](CC)C3)CC2)C1 ZINC000961397232 1319551531 /nfs/dbraw/zinc/55/15/31/1319551531.db2.gz SKPXSUMTTIECNK-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC([C@H]3CCC[N@@H+](CC)C3)CC2)C1 ZINC000961397232 1319551540 /nfs/dbraw/zinc/55/15/40/1319551540.db2.gz SKPXSUMTTIECNK-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961411844 1319569246 /nfs/dbraw/zinc/56/92/46/1319569246.db2.gz PEPDAZMRNHYSTC-ICSRJNTNSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961411844 1319569254 /nfs/dbraw/zinc/56/92/54/1319569254.db2.gz PEPDAZMRNHYSTC-ICSRJNTNSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961411844 1319569263 /nfs/dbraw/zinc/56/92/63/1319569263.db2.gz PEPDAZMRNHYSTC-ICSRJNTNSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC000961418567 1319575657 /nfs/dbraw/zinc/57/56/57/1319575657.db2.gz CFEJXEKULMJIIZ-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC000961418567 1319575660 /nfs/dbraw/zinc/57/56/60/1319575660.db2.gz CFEJXEKULMJIIZ-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC000961418567 1319575662 /nfs/dbraw/zinc/57/56/62/1319575662.db2.gz CFEJXEKULMJIIZ-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431759 1319584889 /nfs/dbraw/zinc/58/48/89/1319584889.db2.gz MPZYABONSXHPIA-UYAOXDASSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961431759 1319584900 /nfs/dbraw/zinc/58/49/00/1319584900.db2.gz MPZYABONSXHPIA-UYAOXDASSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961431759 1319584904 /nfs/dbraw/zinc/58/49/04/1319584904.db2.gz MPZYABONSXHPIA-UYAOXDASSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000818960461 1319592151 /nfs/dbraw/zinc/59/21/51/1319592151.db2.gz ZGPYGFSNPYFDQZ-RDTXWAMCSA-N 2 1 326.431 3.242 20 0 EGADMP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000818971658 1319598790 /nfs/dbraw/zinc/59/87/90/1319598790.db2.gz AKLWWOZFLHUHIJ-MEDUHNTESA-N 2 1 329.271 3.101 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000818979893 1319601780 /nfs/dbraw/zinc/60/17/80/1319601780.db2.gz CWKFNAWCDKELBB-CZUORRHYSA-N 2 1 330.394 3.060 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000819151780 1319648708 /nfs/dbraw/zinc/64/87/08/1319648708.db2.gz DZUZEAQSQKBKHH-WMLDXEAASA-N 2 1 344.421 3.306 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000819152102 1319649666 /nfs/dbraw/zinc/64/96/66/1319649666.db2.gz LLKJOXLGBJWKHK-WMLDXEAASA-N 2 1 344.421 3.306 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH+](CC3CCCC3)C2)C1 ZINC001023548128 1319658105 /nfs/dbraw/zinc/65/81/05/1319658105.db2.gz BNMCBZNXSLBWLU-PMACEKPBSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@H+](CC3CCCC3)C2)C1 ZINC001023548128 1319658118 /nfs/dbraw/zinc/65/81/18/1319658118.db2.gz BNMCBZNXSLBWLU-PMACEKPBSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CC3CCCC3)C2)C1 ZINC001023548128 1319658129 /nfs/dbraw/zinc/65/81/29/1319658129.db2.gz BNMCBZNXSLBWLU-PMACEKPBSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000819182904 1319660636 /nfs/dbraw/zinc/66/06/36/1319660636.db2.gz RWQVOYYREUGJKO-KDOFPFPSSA-N 2 1 342.886 3.470 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCCC3CCC3)C2)CC[N@H+]1C ZINC001023554978 1319665688 /nfs/dbraw/zinc/66/56/88/1319665688.db2.gz SECJGYFCPDDRTI-IHPCNDPISA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CCCC3CCC3)C2)CC[NH+]1C ZINC001023554978 1319665697 /nfs/dbraw/zinc/66/56/97/1319665697.db2.gz SECJGYFCPDDRTI-IHPCNDPISA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CCCC3CCC3)C2)CC[NH+]1C ZINC001023554978 1319665703 /nfs/dbraw/zinc/66/57/03/1319665703.db2.gz SECJGYFCPDDRTI-IHPCNDPISA-N 2 1 349.563 3.125 20 0 EGADMP C[C@]1(C[NH2+]C[C@@H](O)Cc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000819283392 1319688824 /nfs/dbraw/zinc/68/88/24/1319688824.db2.gz JXRJRYKQABQGLR-FCHUYYIVSA-N 2 1 338.495 3.092 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1 ZINC000962385833 1319945125 /nfs/dbraw/zinc/94/51/25/1319945125.db2.gz UWXODYGXILMWGR-SOAGJPPSSA-N 2 1 347.547 3.234 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1 ZINC000962385832 1319945445 /nfs/dbraw/zinc/94/54/45/1319945445.db2.gz UWXODYGXILMWGR-MHJFOBGBSA-N 2 1 347.547 3.234 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CC2(Cl)Cl)[C@@H](C)C1 ZINC000822870660 1320131021 /nfs/dbraw/zinc/13/10/21/1320131021.db2.gz VJPQBTIROUDARS-KKUMJFAQSA-N 2 1 337.335 3.297 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000826666645 1320395709 /nfs/dbraw/zinc/39/57/09/1320395709.db2.gz IGFXEURZMQSLPZ-KRWDZBQOSA-N 2 1 349.544 3.337 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000826666645 1320395713 /nfs/dbraw/zinc/39/57/13/1320395713.db2.gz IGFXEURZMQSLPZ-KRWDZBQOSA-N 2 1 349.544 3.337 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C(=O)[C@@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000840001288 1321011351 /nfs/dbraw/zinc/01/13/51/1321011351.db2.gz ZBHICSLHAUMIGB-VQTJNVASSA-N 2 1 347.547 3.035 20 0 EGADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)ccc1OC(=O)C1CC1 ZINC000841039622 1321206441 /nfs/dbraw/zinc/20/64/41/1321206441.db2.gz WOAFLQSUOHSQDH-QGZVFWFLSA-N 2 1 346.471 3.008 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C1 ZINC000841039130 1321206680 /nfs/dbraw/zinc/20/66/80/1321206680.db2.gz BUUNOXIWHCOCID-BZUAXINKSA-N 2 1 346.462 3.241 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C1 ZINC000841039133 1321207168 /nfs/dbraw/zinc/20/71/68/1321207168.db2.gz BUUNOXIWHCOCID-PMPSAXMXSA-N 2 1 346.462 3.241 20 0 EGADMP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213362 1328947018 /nfs/dbraw/zinc/94/70/18/1328947018.db2.gz HGWPZVPMSCREOJ-KRWDZBQOSA-N 2 1 345.531 3.360 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)Cc2cccc(Cl)c2)cc1 ZINC000859213429 1328948027 /nfs/dbraw/zinc/94/80/27/1328948027.db2.gz XBODFOPERHYTQZ-HXUWFJFHSA-N 2 1 346.902 3.437 20 0 EGADMP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214999 1328948301 /nfs/dbraw/zinc/94/83/01/1328948301.db2.gz WTOSURCVKMTUKI-FGTMMUONSA-N 2 1 345.531 3.073 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(C)c1 ZINC000859214983 1328948538 /nfs/dbraw/zinc/94/85/38/1328948538.db2.gz WNQBIDASBGTTPQ-UHFFFAOYSA-N 2 1 339.483 3.436 20 0 EGADMP Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(C)c1 ZINC000859214983 1328948543 /nfs/dbraw/zinc/94/85/43/1328948543.db2.gz WNQBIDASBGTTPQ-UHFFFAOYSA-N 2 1 339.483 3.436 20 0 EGADMP CCN(C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)C1CCCCC1 ZINC000859215463 1328948886 /nfs/dbraw/zinc/94/88/86/1328948886.db2.gz HQNZFHKWOILULA-UHFFFAOYSA-N 2 1 345.531 3.361 20 0 EGADMP CCN(C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)C1CCCCC1 ZINC000859215463 1328948889 /nfs/dbraw/zinc/94/88/89/1328948889.db2.gz HQNZFHKWOILULA-UHFFFAOYSA-N 2 1 345.531 3.361 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc(=O)oc2c1C ZINC000842474129 1321392918 /nfs/dbraw/zinc/39/29/18/1321392918.db2.gz GBRJDTHWXKZNRL-LPHOPBHVSA-N 2 1 340.467 3.374 20 0 EGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOc1ccccc1C(F)(F)F ZINC000843360740 1321506436 /nfs/dbraw/zinc/50/64/36/1321506436.db2.gz HBKDPIVPZABCTD-AGUYFDCRSA-N 2 1 328.378 3.428 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1SC(F)(F)F ZINC000843364961 1321507203 /nfs/dbraw/zinc/50/72/03/1321507203.db2.gz XSSBDGVRJINRIN-JQWIXIFHSA-N 2 1 334.407 3.476 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1SC(F)(F)F ZINC000843364961 1321507208 /nfs/dbraw/zinc/50/72/08/1321507208.db2.gz XSSBDGVRJINRIN-JQWIXIFHSA-N 2 1 334.407 3.476 20 0 EGADMP CCc1cc2oc(=O)cc(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)c2cc1Cl ZINC000843365438 1321507278 /nfs/dbraw/zinc/50/72/78/1321507278.db2.gz IEFKOUQUTIHNMP-YPMHNXCESA-N 2 1 334.847 3.178 20 0 EGADMP CCc1cc2oc(=O)cc(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)c2cc1Cl ZINC000843365438 1321507283 /nfs/dbraw/zinc/50/72/83/1321507283.db2.gz IEFKOUQUTIHNMP-YPMHNXCESA-N 2 1 334.847 3.178 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000843377591 1321508664 /nfs/dbraw/zinc/50/86/64/1321508664.db2.gz DWDTZNOIPVOJDU-GFCCVEGCSA-N 2 1 343.443 3.001 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC(F)F)C1 ZINC000843378171 1321508780 /nfs/dbraw/zinc/50/87/80/1321508780.db2.gz WNSXCEQMUZZPHG-GFCCVEGCSA-N 2 1 343.443 3.001 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC(F)F)C1 ZINC000843378171 1321508783 /nfs/dbraw/zinc/50/87/83/1321508783.db2.gz WNSXCEQMUZZPHG-GFCCVEGCSA-N 2 1 343.443 3.001 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC000844322018 1321589276 /nfs/dbraw/zinc/58/92/76/1321589276.db2.gz XQRLQHIGWAICSS-KRWDZBQOSA-N 2 1 341.540 3.488 20 0 EGADMP COc1cccc2cc(C[N@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)oc21 ZINC000844903109 1321656465 /nfs/dbraw/zinc/65/64/65/1321656465.db2.gz SIQCMJGZIGOVEQ-BXWFABGCSA-N 2 1 344.455 3.160 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cncc3ccccc32)C1 ZINC000844910816 1321657022 /nfs/dbraw/zinc/65/70/22/1321657022.db2.gz JTGINSDLDABVRF-MISYRCLQSA-N 2 1 325.456 3.096 20 0 EGADMP C[N@@H+](CCCCCC[NH3+])CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000846218168 1321777181 /nfs/dbraw/zinc/77/71/81/1321777181.db2.gz STHGGCBWXYZHEJ-UHFFFAOYSA-N 2 1 332.275 3.383 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000846220550 1321777699 /nfs/dbraw/zinc/77/76/99/1321777699.db2.gz KPFVHJJMTIIYNY-INIZCTEOSA-N 2 1 328.403 3.180 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000848541340 1321972627 /nfs/dbraw/zinc/97/26/27/1321972627.db2.gz XKMIHSAKZVFDFU-IAGOWNOFSA-N 2 1 330.451 3.282 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000848888760 1322030658 /nfs/dbraw/zinc/03/06/58/1322030658.db2.gz BJPCEGQEWGFNBU-NQIIRXRSSA-N 2 1 329.532 3.268 20 0 EGADMP C[C@H]1C[C@H](CCNC(=[NH2+])N2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000848989285 1322056844 /nfs/dbraw/zinc/05/68/44/1322056844.db2.gz LIIWUAWQXOMWTQ-HKUYNNGSSA-N 2 1 328.504 3.297 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849083962 1322071665 /nfs/dbraw/zinc/07/16/65/1322071665.db2.gz REWHGLWPBSYBOH-CYBMUJFWSA-N 2 1 344.381 3.396 20 0 EGADMP [NH2+]=C(NCC1CCC1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000849085241 1322072291 /nfs/dbraw/zinc/07/22/91/1322072291.db2.gz IWRQCEPJAZULJX-LJQANCHMSA-N 2 1 328.504 3.203 20 0 EGADMP CCC[N@@H+](CC)CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000849091496 1322075421 /nfs/dbraw/zinc/07/54/21/1322075421.db2.gz JVAHOYJNPUACQA-UHFFFAOYSA-N 2 1 330.398 3.051 20 0 EGADMP C[C@@H](NC(=[NH2+])NCC1([NH+](C)C)CC1)c1ccc(Cl)cc1Cl ZINC000849117366 1322084938 /nfs/dbraw/zinc/08/49/38/1322084938.db2.gz BEYGKNDZKBBZMT-SNVBAGLBSA-N 2 1 329.275 3.263 20 0 EGADMP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(C)c1 ZINC000921496519 1322329603 /nfs/dbraw/zinc/32/96/03/1322329603.db2.gz VWAJYUCSRIUCDR-UHFFFAOYSA-N 2 1 340.467 3.126 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921624610 1322365393 /nfs/dbraw/zinc/36/53/93/1322365393.db2.gz KTAYMYAAMIQOMZ-GVDBMIGSSA-N 2 1 339.524 3.001 20 0 EGADMP CCCC[N@@H+](C[C@H]1CC2(CC2)C(=O)O1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931032916 1329033514 /nfs/dbraw/zinc/03/35/14/1329033514.db2.gz BXNCMBNFLBBHAA-MRXNPFEDSA-N 2 1 336.520 3.493 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000923282309 1322725159 /nfs/dbraw/zinc/72/51/59/1322725159.db2.gz MMCLIKNKQHTCAF-UKPHBRMFSA-N 2 1 342.405 3.100 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000923282309 1322725162 /nfs/dbraw/zinc/72/51/62/1322725162.db2.gz MMCLIKNKQHTCAF-UKPHBRMFSA-N 2 1 342.405 3.100 20 0 EGADMP Cc1[nH]c(C2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC2)[nH+]c1C ZINC000924314519 1322975664 /nfs/dbraw/zinc/97/56/64/1322975664.db2.gz RXOFWXZEGYNBIC-GOSISDBHSA-N 2 1 346.519 3.243 20 0 EGADMP COCCOCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924582479 1323061711 /nfs/dbraw/zinc/06/17/11/1323061711.db2.gz LMVGJAGDIPEYNN-SEJPIABJSA-N 2 1 346.515 3.215 20 0 EGADMP C[C@@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cc(CO)on1 ZINC000924670389 1323104608 /nfs/dbraw/zinc/10/46/08/1323104608.db2.gz ZPGAMIWHCUACQO-HZPDHXFCSA-N 2 1 343.471 3.250 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC[C@@H]1COC(C)(C)O1 ZINC000851933683 1323117424 /nfs/dbraw/zinc/11/74/24/1323117424.db2.gz TWFDVBLIQRPWMI-BWPNAZKDSA-N 2 1 346.515 3.274 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCN(OCc2ccccc2)CC1 ZINC000924948229 1323223692 /nfs/dbraw/zinc/22/36/92/1323223692.db2.gz BNLVFGDVVALJOX-QGZVFWFLSA-N 2 1 342.487 3.013 20 0 EGADMP C[C@@H](NCC1([NH+]2CCCC2)CCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000924970025 1323234062 /nfs/dbraw/zinc/23/40/62/1323234062.db2.gz MSLJFWFKJSLRNX-GOSISDBHSA-N 2 1 345.531 3.044 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001024436503 1323396361 /nfs/dbraw/zinc/39/63/61/1323396361.db2.gz FFIWNOVQFXZHHW-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001024436503 1323396365 /nfs/dbraw/zinc/39/63/65/1323396365.db2.gz FFIWNOVQFXZHHW-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001024436503 1323396370 /nfs/dbraw/zinc/39/63/70/1323396370.db2.gz FFIWNOVQFXZHHW-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479173 1323431063 /nfs/dbraw/zinc/43/10/63/1323431063.db2.gz AZPFFEWGBXONRW-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479173 1323431065 /nfs/dbraw/zinc/43/10/65/1323431065.db2.gz AZPFFEWGBXONRW-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479173 1323431067 /nfs/dbraw/zinc/43/10/67/1323431067.db2.gz AZPFFEWGBXONRW-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024513156 1323463992 /nfs/dbraw/zinc/46/39/92/1323463992.db2.gz NOQYAAKWQMKQTP-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024513156 1323463993 /nfs/dbraw/zinc/46/39/93/1323463993.db2.gz NOQYAAKWQMKQTP-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001024513156 1323463997 /nfs/dbraw/zinc/46/39/97/1323463997.db2.gz NOQYAAKWQMKQTP-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001024513156 1323463998 /nfs/dbraw/zinc/46/39/98/1323463998.db2.gz NOQYAAKWQMKQTP-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCCC[N@@H+]1C/C=C\Cl ZINC001024814407 1323718522 /nfs/dbraw/zinc/71/85/22/1323718522.db2.gz SPUVOXUVYJKFHM-CGICMKJESA-N 2 1 349.906 3.085 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCCC[N@H+]1C/C=C\Cl ZINC001024814407 1323718528 /nfs/dbraw/zinc/71/85/28/1323718528.db2.gz SPUVOXUVYJKFHM-CGICMKJESA-N 2 1 349.906 3.085 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCc4ccccn4)cc3)C[C@@H]2C1 ZINC000931439552 1329118326 /nfs/dbraw/zinc/11/83/26/1329118326.db2.gz OKFMABABPIUPKT-MOPGFXCFSA-N 2 1 337.467 3.044 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@@H]2C1 ZINC000931439552 1329118330 /nfs/dbraw/zinc/11/83/30/1329118330.db2.gz OKFMABABPIUPKT-MOPGFXCFSA-N 2 1 337.467 3.044 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@@H]2C1 ZINC000931439552 1329118333 /nfs/dbraw/zinc/11/83/33/1329118333.db2.gz OKFMABABPIUPKT-MOPGFXCFSA-N 2 1 337.467 3.044 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001025168397 1323937740 /nfs/dbraw/zinc/93/77/40/1323937740.db2.gz BXKLHYANEPDHCR-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)c1ccccc1F ZINC000859995314 1329124732 /nfs/dbraw/zinc/12/47/32/1329124732.db2.gz OOQOCGYXCPFQIP-HXUWFJFHSA-N 2 1 330.447 3.443 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001025301693 1324135199 /nfs/dbraw/zinc/13/51/99/1324135199.db2.gz OKPRKJXYQDHUJX-UXHICEINSA-N 2 1 343.515 3.227 20 0 EGADMP COc1cccc(OC)c1OCCCC[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931719393 1329171063 /nfs/dbraw/zinc/17/10/63/1329171063.db2.gz QQUBTUHBVYAOKB-SJORKVTESA-N 2 1 348.487 3.031 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001026465148 1324824769 /nfs/dbraw/zinc/82/47/69/1324824769.db2.gz KVTMBHISRMYLHL-ACBHZAAOSA-N 2 1 347.547 3.068 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001026856157 1325044827 /nfs/dbraw/zinc/04/48/27/1325044827.db2.gz UCFGDJNIRAZHOK-SJLPKXTDSA-N 2 1 346.519 3.025 20 0 EGADMP CCS[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925225553 1325087997 /nfs/dbraw/zinc/08/79/97/1325087997.db2.gz HCCHBEATQFYGSN-PYWTVGQWSA-N 2 1 326.550 3.282 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000963351378 1325144005 /nfs/dbraw/zinc/14/40/05/1325144005.db2.gz HKOUVDKVAXYVDS-WMZOPIPTSA-N 2 1 347.503 3.068 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC001027015066 1325155026 /nfs/dbraw/zinc/15/50/26/1325155026.db2.gz XOUXRVQEHXJZOY-WOJBJXKFSA-N 2 1 347.547 3.047 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360372 1325156242 /nfs/dbraw/zinc/15/62/42/1325156242.db2.gz MIRRBOXKKHAVEQ-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963360372 1325156248 /nfs/dbraw/zinc/15/62/48/1325156248.db2.gz MIRRBOXKKHAVEQ-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963360372 1325156253 /nfs/dbraw/zinc/15/62/53/1325156253.db2.gz MIRRBOXKKHAVEQ-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000963385291 1325184979 /nfs/dbraw/zinc/18/49/79/1325184979.db2.gz FRVTUZBAMQDVQQ-MHJFOBGBSA-N 2 1 349.563 3.410 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](CN[C@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925522055 1325187800 /nfs/dbraw/zinc/18/78/00/1325187800.db2.gz QMQDWLVOGFMHHD-PMACEKPBSA-N 2 1 327.516 3.163 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C2CCC([NH2+]CCC3CC3)CC2)C1 ZINC000963420060 1325228917 /nfs/dbraw/zinc/22/89/17/1325228917.db2.gz GJEYHVNBEZXPOU-HDYDNRTBSA-N 2 1 349.563 3.124 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]C2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000925708690 1325267794 /nfs/dbraw/zinc/26/77/94/1325267794.db2.gz NDZMQVAEXZYBNM-UHFFFAOYSA-N 2 1 349.519 3.018 20 0 EGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000925794661 1325304358 /nfs/dbraw/zinc/30/43/58/1325304358.db2.gz VQLGLDZEXANFIQ-GUDVDZBRSA-N 2 1 343.515 3.165 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CCC([NH2+]CC3CCCCC3)CC2)C1 ZINC000963902202 1325427294 /nfs/dbraw/zinc/42/72/94/1325427294.db2.gz HFJWYFZAODNKDQ-KKXNLOMOSA-N 2 1 349.563 3.268 20 0 EGADMP COc1ccnc([C@@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000926325383 1325516949 /nfs/dbraw/zinc/51/69/49/1325516949.db2.gz LRQOYLRYKCIESO-AEFFLSMTSA-N 2 1 325.456 3.263 20 0 EGADMP CC(C)[N@H+]1CCCN(C(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)CC1 ZINC000857110303 1325573307 /nfs/dbraw/zinc/57/33/07/1325573307.db2.gz UCJDQLRCCCFUSD-HXUWFJFHSA-N 2 1 343.515 3.052 20 0 EGADMP CC(C)[NH+]1CCCN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857110303 1325573315 /nfs/dbraw/zinc/57/33/15/1325573315.db2.gz UCJDQLRCCCFUSD-HXUWFJFHSA-N 2 1 343.515 3.052 20 0 EGADMP CC(C)[NH+]1CCCN(C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000857110303 1325573320 /nfs/dbraw/zinc/57/33/20/1325573320.db2.gz UCJDQLRCCCFUSD-HXUWFJFHSA-N 2 1 343.515 3.052 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857143997 1325580668 /nfs/dbraw/zinc/58/06/68/1325580668.db2.gz CVAXVNPHOZHAOX-VQTJNVASSA-N 2 1 343.515 3.052 20 0 EGADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857143997 1325580675 /nfs/dbraw/zinc/58/06/75/1325580675.db2.gz CVAXVNPHOZHAOX-VQTJNVASSA-N 2 1 343.515 3.052 20 0 EGADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857143997 1325580684 /nfs/dbraw/zinc/58/06/84/1325580684.db2.gz CVAXVNPHOZHAOX-VQTJNVASSA-N 2 1 343.515 3.052 20 0 EGADMP CC[N@H+]1C[C@H](C)N(C(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)C[C@@H]1C ZINC000857165770 1325586725 /nfs/dbraw/zinc/58/67/25/1325586725.db2.gz AVOWEPNZRHGHJY-ZWOKBUDYSA-N 2 1 343.515 3.051 20 0 EGADMP CC[NH+]1C[C@H](C)N(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C[C@@H]1C ZINC000857165770 1325586731 /nfs/dbraw/zinc/58/67/31/1325586731.db2.gz AVOWEPNZRHGHJY-ZWOKBUDYSA-N 2 1 343.515 3.051 20 0 EGADMP CC[NH+]1C[C@H](C)N(C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C[C@@H]1C ZINC000857165770 1325586735 /nfs/dbraw/zinc/58/67/35/1325586735.db2.gz AVOWEPNZRHGHJY-ZWOKBUDYSA-N 2 1 343.515 3.051 20 0 EGADMP CC(C)NC(=O)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926594813 1327630222 /nfs/dbraw/zinc/63/02/22/1327630222.db2.gz LGZXZIBAPIDJQC-VOBGVNJCSA-N 2 1 343.515 3.075 20 0 EGADMP CC(C)NC(=O)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926594813 1327630226 /nfs/dbraw/zinc/63/02/26/1327630226.db2.gz LGZXZIBAPIDJQC-VOBGVNJCSA-N 2 1 343.515 3.075 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC001027444545 1327685113 /nfs/dbraw/zinc/68/51/13/1327685113.db2.gz SSUYJRGDZGOENP-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2=CCCCC2)C1)C1CC1 ZINC001027445082 1327685969 /nfs/dbraw/zinc/68/59/69/1327685969.db2.gz ZMUGKUAVKBIPMQ-PMACEKPBSA-N 2 1 347.547 3.140 20 0 EGADMP C[N@@H+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027449631 1327690524 /nfs/dbraw/zinc/69/05/24/1327690524.db2.gz DZBSSWUGRGCYKG-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001027449631 1327690534 /nfs/dbraw/zinc/69/05/34/1327690534.db2.gz DZBSSWUGRGCYKG-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001027449631 1327690547 /nfs/dbraw/zinc/69/05/47/1327690547.db2.gz DZBSSWUGRGCYKG-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP C[N@@H+](CC1CCCCCC1)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027466842 1327721516 /nfs/dbraw/zinc/72/15/16/1327721516.db2.gz YHHBGJKXGBXBCE-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCCC1)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001027466842 1327721523 /nfs/dbraw/zinc/72/15/23/1327721523.db2.gz YHHBGJKXGBXBCE-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCCC1)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001027466842 1327721529 /nfs/dbraw/zinc/72/15/29/1327721529.db2.gz YHHBGJKXGBXBCE-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027541846 1327844292 /nfs/dbraw/zinc/84/42/92/1327844292.db2.gz CBKVVJSCGWMIFQ-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027541846 1327844301 /nfs/dbraw/zinc/84/43/01/1327844301.db2.gz CBKVVJSCGWMIFQ-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027541846 1327844312 /nfs/dbraw/zinc/84/43/12/1327844312.db2.gz CBKVVJSCGWMIFQ-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CCOCCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000927086697 1327854293 /nfs/dbraw/zinc/85/42/93/1327854293.db2.gz MPVDAKADCINDLI-NJDAHSKKSA-N 2 1 346.515 3.072 20 0 EGADMP C[N@@H+](CC1=CCCCC1)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694396 1328100987 /nfs/dbraw/zinc/10/09/87/1328100987.db2.gz XJSTZRPHDNNTGN-FQEVSTJZSA-N 2 1 347.547 3.286 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966071923 1328168924 /nfs/dbraw/zinc/16/89/24/1328168924.db2.gz BRYCZUSSTNRVHW-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)OCC[NH+]2CCC2)c1 ZINC000861389149 1329415397 /nfs/dbraw/zinc/41/53/97/1329415397.db2.gz BJDCNAMGTSBBNH-UHFFFAOYSA-N 2 1 338.451 3.181 20 0 EGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)OCC[NH+]2CCC2)c1 ZINC000861389149 1329415399 /nfs/dbraw/zinc/41/53/99/1329415399.db2.gz BJDCNAMGTSBBNH-UHFFFAOYSA-N 2 1 338.451 3.181 20 0 EGADMP CC1CCC(C[N@H+]2CCC[C@@H]2CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001027992882 1328459447 /nfs/dbraw/zinc/45/94/47/1328459447.db2.gz GUVGQDGLUBERAO-CTWPCTMYSA-N 2 1 347.547 3.022 20 0 EGADMP CCN(C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)C1CC[NH+](C)CC1 ZINC000863921462 1329589008 /nfs/dbraw/zinc/58/90/08/1329589008.db2.gz HPXQYKPEKZQASP-IBGZPJMESA-N 2 1 343.515 3.052 20 0 EGADMP Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)no1 ZINC000931934475 1329772494 /nfs/dbraw/zinc/77/24/94/1329772494.db2.gz DQANAXQUUPAYOY-LJQANCHMSA-N 2 1 340.471 3.353 20 0 EGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n(C)n1 ZINC000866412192 1330108199 /nfs/dbraw/zinc/10/81/99/1330108199.db2.gz BEOQSBLVLMCJLJ-HHXXYDBFSA-N 2 1 326.488 3.147 20 0 EGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n(C)n1 ZINC000866412192 1330108201 /nfs/dbraw/zinc/10/82/01/1330108201.db2.gz BEOQSBLVLMCJLJ-HHXXYDBFSA-N 2 1 326.488 3.147 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000866469422 1330116549 /nfs/dbraw/zinc/11/65/49/1330116549.db2.gz ICMKAPDLNPLSOG-GHTZIAJQSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000866469422 1330116552 /nfs/dbraw/zinc/11/65/52/1330116552.db2.gz ICMKAPDLNPLSOG-GHTZIAJQSA-N 2 1 329.532 3.361 20 0 EGADMP CC1(C)CC[NH2+]CC[N@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000866698758 1330142070 /nfs/dbraw/zinc/14/20/70/1330142070.db2.gz DDLLOJUVVPFIEF-UHFFFAOYSA-N 2 1 325.456 3.242 20 0 EGADMP CC1(C)CC[NH2+]CC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000866699716 1330142149 /nfs/dbraw/zinc/14/21/49/1330142149.db2.gz SXMVGMOBMPKADH-UHFFFAOYSA-N 2 1 334.851 3.006 20 0 EGADMP CC1(C)CC[NH2+]CC[N@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000866699716 1330142152 /nfs/dbraw/zinc/14/21/52/1330142152.db2.gz SXMVGMOBMPKADH-UHFFFAOYSA-N 2 1 334.851 3.006 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)CC2(C)C)CC1 ZINC000940994785 1331288760 /nfs/dbraw/zinc/28/87/60/1331288760.db2.gz YXSJKNGITKWFEV-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C(C)C)CC2(C)C)o1 ZINC000941244757 1331409731 /nfs/dbraw/zinc/40/97/31/1331409731.db2.gz NYDWEZDJQAOTEE-GOSISDBHSA-N 2 1 349.519 3.360 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCC2)CC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942098882 1331829310 /nfs/dbraw/zinc/82/93/10/1331829310.db2.gz CHJHBMZQFMTKGM-RHSMWYFYSA-N 2 1 349.544 3.050 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942518506 1331950685 /nfs/dbraw/zinc/95/06/85/1331950685.db2.gz SMEVPVLDIOFPIK-HNAYVOBHSA-N 2 1 342.487 3.211 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C[C@@H]1C ZINC000943287369 1332138628 /nfs/dbraw/zinc/13/86/28/1332138628.db2.gz IWARJWGYDCHKTK-FUHWJXTLSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1C ZINC000943287369 1332138631 /nfs/dbraw/zinc/13/86/31/1332138631.db2.gz IWARJWGYDCHKTK-FUHWJXTLSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)C[C@H]1C ZINC000943290110 1332139523 /nfs/dbraw/zinc/13/95/23/1332139523.db2.gz VENBNTQKVYHANI-SJORKVTESA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC000943290110 1332139526 /nfs/dbraw/zinc/13/95/26/1332139526.db2.gz VENBNTQKVYHANI-SJORKVTESA-N 2 1 348.535 3.269 20 0 EGADMP C[C@H]1C[N@@H+](CCC2CCCCCC2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944943305 1332458966 /nfs/dbraw/zinc/45/89/66/1332458966.db2.gz GPYATVKYUIGXPK-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945028566 1332481069 /nfs/dbraw/zinc/48/10/69/1332481069.db2.gz JQFOZHFEOWEQNE-XLIONFOSSA-N 2 1 345.531 3.235 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945089050 1332496811 /nfs/dbraw/zinc/49/68/11/1332496811.db2.gz DSXBNMBUUIJQRJ-PXNSSMCTSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586279 1332858136 /nfs/dbraw/zinc/85/81/36/1332858136.db2.gz ASKOUKNPLOIFBD-YSTOQKLRSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586279 1332858138 /nfs/dbraw/zinc/85/81/38/1332858138.db2.gz ASKOUKNPLOIFBD-YSTOQKLRSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586279 1332858140 /nfs/dbraw/zinc/85/81/40/1332858140.db2.gz ASKOUKNPLOIFBD-YSTOQKLRSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946902770 1332929117 /nfs/dbraw/zinc/92/91/17/1332929117.db2.gz YGDLMCZBLIGHDV-BGYRXZFFSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CC1CCCC1 ZINC000947309597 1333084055 /nfs/dbraw/zinc/08/40/55/1333084055.db2.gz GJYQXMWODTVOQG-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC000947436441 1333127199 /nfs/dbraw/zinc/12/71/99/1333127199.db2.gz IXBGGTPOKCTKBH-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947615142 1333193012 /nfs/dbraw/zinc/19/30/12/1333193012.db2.gz FLLDDIRFUZGCPN-WMZOPIPTSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000947615364 1333193132 /nfs/dbraw/zinc/19/31/32/1333193132.db2.gz ICWRHJSATVJRGL-IEBWSBKVSA-N 2 1 343.515 3.030 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947776454 1333258403 /nfs/dbraw/zinc/25/84/03/1333258403.db2.gz WFVIRFWEXDGUFI-VQIMIIECSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)[C@@H](C)C2)CC1 ZINC000947882113 1333290106 /nfs/dbraw/zinc/29/01/06/1333290106.db2.gz OEERCOLWLSZEQA-FXAWDEMLSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947907369 1333301210 /nfs/dbraw/zinc/30/12/10/1333301210.db2.gz GZFJUGBWRBLIOL-YLJYHZDGSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948439015 1333525703 /nfs/dbraw/zinc/52/57/03/1333525703.db2.gz FUWPRYUXGGRXDG-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948439015 1333525706 /nfs/dbraw/zinc/52/57/06/1333525706.db2.gz FUWPRYUXGGRXDG-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948439015 1333525709 /nfs/dbraw/zinc/52/57/09/1333525709.db2.gz FUWPRYUXGGRXDG-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2ccsc2)CC1 ZINC000948553913 1333572109 /nfs/dbraw/zinc/57/21/09/1333572109.db2.gz OGDNUUCSIBAONY-ZWKOTPCHSA-N 2 1 349.544 3.045 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC000948553913 1333572111 /nfs/dbraw/zinc/57/21/11/1333572111.db2.gz OGDNUUCSIBAONY-ZWKOTPCHSA-N 2 1 349.544 3.045 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC000948553913 1333572114 /nfs/dbraw/zinc/57/21/14/1333572114.db2.gz OGDNUUCSIBAONY-ZWKOTPCHSA-N 2 1 349.544 3.045 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948574819 1333583421 /nfs/dbraw/zinc/58/34/21/1333583421.db2.gz LMJSKWRQQUVTOM-UXHICEINSA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574819 1333583424 /nfs/dbraw/zinc/58/34/24/1333583424.db2.gz LMJSKWRQQUVTOM-UXHICEINSA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574819 1333583426 /nfs/dbraw/zinc/58/34/26/1333583426.db2.gz LMJSKWRQQUVTOM-UXHICEINSA-N 2 1 349.563 3.386 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC000948620657 1333599573 /nfs/dbraw/zinc/59/95/73/1333599573.db2.gz GYIPKBFNENRSPK-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000948620657 1333599574 /nfs/dbraw/zinc/59/95/74/1333599574.db2.gz GYIPKBFNENRSPK-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000948637600 1333606663 /nfs/dbraw/zinc/60/66/63/1333606663.db2.gz HOANWPUIOJBVGK-QUCCMNQESA-N 2 1 343.515 3.075 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000948637600 1333606664 /nfs/dbraw/zinc/60/66/64/1333606664.db2.gz HOANWPUIOJBVGK-QUCCMNQESA-N 2 1 343.515 3.075 20 0 EGADMP CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000948706048 1333641105 /nfs/dbraw/zinc/64/11/05/1333641105.db2.gz SOPRZIDDITZZMT-IEBWSBKVSA-N 2 1 335.536 3.116 20 0 EGADMP CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000948706048 1333641107 /nfs/dbraw/zinc/64/11/07/1333641107.db2.gz SOPRZIDDITZZMT-IEBWSBKVSA-N 2 1 335.536 3.116 20 0 EGADMP CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000948706048 1333641109 /nfs/dbraw/zinc/64/11/09/1333641109.db2.gz SOPRZIDDITZZMT-IEBWSBKVSA-N 2 1 335.536 3.116 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC000948738978 1333653510 /nfs/dbraw/zinc/65/35/10/1333653510.db2.gz SPYONNGSYUNPJA-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948770669 1333671798 /nfs/dbraw/zinc/67/17/98/1333671798.db2.gz KEUKYQLENLQTHE-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC000948770669 1333671802 /nfs/dbraw/zinc/67/18/02/1333671802.db2.gz KEUKYQLENLQTHE-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC000948770669 1333671804 /nfs/dbraw/zinc/67/18/04/1333671804.db2.gz KEUKYQLENLQTHE-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948821053 1333698514 /nfs/dbraw/zinc/69/85/14/1333698514.db2.gz XPXKJJGCZGYMEV-GOSISDBHSA-N 2 1 348.535 3.366 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948821053 1333698517 /nfs/dbraw/zinc/69/85/17/1333698517.db2.gz XPXKJJGCZGYMEV-GOSISDBHSA-N 2 1 348.535 3.366 20 0 EGADMP CCC(CC)C[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC000949011744 1333765623 /nfs/dbraw/zinc/76/56/23/1333765623.db2.gz GYQHWDSCRDBDIR-UHFFFAOYSA-N 2 1 337.552 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CN(CC=C(C)C)C1 ZINC000950330425 1334042894 /nfs/dbraw/zinc/04/28/94/1334042894.db2.gz FUKYKTFFQMRAKE-SFHVURJKSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000950363932 1334051056 /nfs/dbraw/zinc/05/10/56/1334051056.db2.gz YGHNMFOIOSYLNO-NSISKUIASA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000950363932 1334051058 /nfs/dbraw/zinc/05/10/58/1334051058.db2.gz YGHNMFOIOSYLNO-NSISKUIASA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000950628144 1334098638 /nfs/dbraw/zinc/09/86/38/1334098638.db2.gz SLRDIEXUBZIZBM-PMACEKPBSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000950628144 1334098641 /nfs/dbraw/zinc/09/86/41/1334098641.db2.gz SLRDIEXUBZIZBM-PMACEKPBSA-N 2 1 343.515 3.155 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C1C[NH+](CC2CCCCC2)C1 ZINC000950708005 1334119415 /nfs/dbraw/zinc/11/94/15/1334119415.db2.gz HSCDACFAXINOTG-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1C[NH+](CC2CCCCC2)C1 ZINC000952444588 1334461223 /nfs/dbraw/zinc/46/12/23/1334461223.db2.gz WUQDGGXHSYVPHU-UYAOXDASSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CC[N@@H+](CCCC2CCC2)C[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000967708779 1335805153 /nfs/dbraw/zinc/80/51/53/1335805153.db2.gz VRHMVZDXZOIORJ-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968378071 1335910142 /nfs/dbraw/zinc/91/01/42/1335910142.db2.gz MYDYUCZRGYFZPC-SJLPKXTDSA-N 2 1 348.535 3.269 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968378071 1335910145 /nfs/dbraw/zinc/91/01/45/1335910145.db2.gz MYDYUCZRGYFZPC-SJLPKXTDSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC2CCCC2)CC[C@@H]1C ZINC000968379155 1335910641 /nfs/dbraw/zinc/91/06/41/1335910641.db2.gz VTJLXTOEMOKSCH-FUHWJXTLSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC2CCCC2)CC[C@@H]1C ZINC000968379155 1335910644 /nfs/dbraw/zinc/91/06/44/1335910644.db2.gz VTJLXTOEMOKSCH-FUHWJXTLSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000968645348 1335995443 /nfs/dbraw/zinc/99/54/43/1335995443.db2.gz WXYXDVQGGRMNLR-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)cs1 ZINC000968916178 1336087594 /nfs/dbraw/zinc/08/75/94/1336087594.db2.gz YGOIRMSMOSDADA-QZTJIDSGSA-N 2 1 349.544 3.010 20 0 EGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000968915231 1336087677 /nfs/dbraw/zinc/08/76/77/1336087677.db2.gz DYQQGWIYXMHGJW-QUCCMNQESA-N 2 1 345.531 3.084 20 0 EGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000968915301 1336087769 /nfs/dbraw/zinc/08/77/69/1336087769.db2.gz HRTZRNQDPCZUTP-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCCC1CCC1 ZINC000968920242 1336088721 /nfs/dbraw/zinc/08/87/21/1336088721.db2.gz RWPXELZFEXCKCJ-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCCC1CCC1 ZINC000968920242 1336088722 /nfs/dbraw/zinc/08/87/22/1336088722.db2.gz RWPXELZFEXCKCJ-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCCC1CCC1 ZINC000968920242 1336088727 /nfs/dbraw/zinc/08/87/27/1336088727.db2.gz RWPXELZFEXCKCJ-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936201 1336095925 /nfs/dbraw/zinc/09/59/25/1336095925.db2.gz CYJGBRDSDVMWCQ-WBVHZDCISA-N 2 1 346.450 3.057 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000969170708 1336170617 /nfs/dbraw/zinc/17/06/17/1336170617.db2.gz UQUBDARGCLGDKL-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC000970029153 1336272879 /nfs/dbraw/zinc/27/28/79/1336272879.db2.gz XUNILWIIEYUSNC-FXAWDEMLSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC(C)C)C1 ZINC000970718981 1336335673 /nfs/dbraw/zinc/33/56/73/1336335673.db2.gz NWCOPBDRMRXPLP-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001005996741 1336435555 /nfs/dbraw/zinc/43/55/55/1336435555.db2.gz MOYRIETTWHAOTM-SFHVURJKSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001006001474 1336435941 /nfs/dbraw/zinc/43/59/41/1336435941.db2.gz OBICSGRRJPSREO-XLIONFOSSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001007457408 1336650555 /nfs/dbraw/zinc/65/05/55/1336650555.db2.gz MYASZKLLXDJABX-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001007457408 1336650557 /nfs/dbraw/zinc/65/05/57/1336650557.db2.gz MYASZKLLXDJABX-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001007457408 1336650560 /nfs/dbraw/zinc/65/05/60/1336650560.db2.gz MYASZKLLXDJABX-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007747696 1336694334 /nfs/dbraw/zinc/69/43/34/1336694334.db2.gz RDUVHVDSVIULHO-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001007747696 1336694338 /nfs/dbraw/zinc/69/43/38/1336694338.db2.gz RDUVHVDSVIULHO-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001007747696 1336694339 /nfs/dbraw/zinc/69/43/39/1336694339.db2.gz RDUVHVDSVIULHO-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008759126 1336921403 /nfs/dbraw/zinc/92/14/03/1336921403.db2.gz DEMBRCQYLUBHPJ-FXAWDEMLSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001008767995 1336923052 /nfs/dbraw/zinc/92/30/52/1336923052.db2.gz MHJOOQGVBOXCTE-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001008767995 1336923054 /nfs/dbraw/zinc/92/30/54/1336923054.db2.gz MHJOOQGVBOXCTE-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001008767995 1336923055 /nfs/dbraw/zinc/92/30/55/1336923055.db2.gz MHJOOQGVBOXCTE-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001008772011 1336923901 /nfs/dbraw/zinc/92/39/01/1336923901.db2.gz WSDWRXSYELTTTK-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001008772011 1336923905 /nfs/dbraw/zinc/92/39/05/1336923905.db2.gz WSDWRXSYELTTTK-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001008772011 1336923908 /nfs/dbraw/zinc/92/39/08/1336923908.db2.gz WSDWRXSYELTTTK-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001009049237 1336960239 /nfs/dbraw/zinc/96/02/39/1336960239.db2.gz HYQZHRAOWVLBJK-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)C)C1 ZINC001009167887 1336979623 /nfs/dbraw/zinc/97/96/23/1336979623.db2.gz JYRBUOXZDMFEGP-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC001009167887 1336979625 /nfs/dbraw/zinc/97/96/25/1336979625.db2.gz JYRBUOXZDMFEGP-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001009167887 1336979627 /nfs/dbraw/zinc/97/96/27/1336979627.db2.gz JYRBUOXZDMFEGP-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](CCC(C)(C)C)C2)c1 ZINC001009607725 1337045868 /nfs/dbraw/zinc/04/58/68/1337045868.db2.gz CVJKUTUGARWHRK-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001014425210 1337774176 /nfs/dbraw/zinc/77/41/76/1337774176.db2.gz NZRIIWCUXYOPEW-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCC3CCCCCC3)C2)CC[N@H+]1C ZINC001014508943 1337802242 /nfs/dbraw/zinc/80/22/42/1337802242.db2.gz PFAIYPZPIHGPHE-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CCC3CCCCCC3)C2)CC[NH+]1C ZINC001014508943 1337802244 /nfs/dbraw/zinc/80/22/44/1337802244.db2.gz PFAIYPZPIHGPHE-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCC3CCCCCC3)C2)CC[NH+]1C ZINC001014508943 1337802249 /nfs/dbraw/zinc/80/22/49/1337802249.db2.gz PFAIYPZPIHGPHE-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CCCC2CCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001014911481 1337948307 /nfs/dbraw/zinc/94/83/07/1337948307.db2.gz UPCAFWBIBRAYIG-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001015112922 1338023383 /nfs/dbraw/zinc/02/33/83/1338023383.db2.gz HBPHBEKABPLJLK-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CCC2CCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001015291959 1338087273 /nfs/dbraw/zinc/08/72/73/1338087273.db2.gz XIPIOVJOZUYRHV-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001015291955 1338087375 /nfs/dbraw/zinc/08/73/75/1338087375.db2.gz XIPIOVJOZUYRHV-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016660740 1338681457 /nfs/dbraw/zinc/68/14/57/1338681457.db2.gz AWSYKXBKPGKWRO-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016662717 1338682939 /nfs/dbraw/zinc/68/29/39/1338682939.db2.gz MXFOFKBWMJDCBS-MOPGFXCFSA-N 2 1 347.547 3.186 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001016860875 1338750616 /nfs/dbraw/zinc/75/06/16/1338750616.db2.gz SRSSCSQRHIWFKM-DLBZAZTESA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H](C[NH+](C)CC2CCC2)C1 ZINC001017143738 1338894523 /nfs/dbraw/zinc/89/45/23/1338894523.db2.gz YWRMFLFLSSQBHY-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001017143738 1338894529 /nfs/dbraw/zinc/89/45/29/1338894529.db2.gz YWRMFLFLSSQBHY-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017143738 1338894536 /nfs/dbraw/zinc/89/45/36/1338894536.db2.gz YWRMFLFLSSQBHY-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)CCn2ccnc2)C1 ZINC001017172260 1338917313 /nfs/dbraw/zinc/91/73/13/1338917313.db2.gz KMDCQRQEKZQWOC-LJQANCHMSA-N 2 1 346.519 3.024 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001017208392 1338954592 /nfs/dbraw/zinc/95/45/92/1338954592.db2.gz GDEFGAKFDSVQLJ-QUCCMNQESA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001017208392 1338954593 /nfs/dbraw/zinc/95/45/93/1338954593.db2.gz GDEFGAKFDSVQLJ-QUCCMNQESA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001017208392 1338954598 /nfs/dbraw/zinc/95/45/98/1338954598.db2.gz GDEFGAKFDSVQLJ-QUCCMNQESA-N 2 1 347.547 3.142 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001017617258 1339377832 /nfs/dbraw/zinc/37/78/32/1339377832.db2.gz KUNBPKQLKKEDDV-SLFFLAALSA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001017617258 1339377833 /nfs/dbraw/zinc/37/78/33/1339377833.db2.gz KUNBPKQLKKEDDV-SLFFLAALSA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001017617258 1339377834 /nfs/dbraw/zinc/37/78/34/1339377834.db2.gz KUNBPKQLKKEDDV-SLFFLAALSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001018838344 1339736304 /nfs/dbraw/zinc/73/63/04/1339736304.db2.gz YFCDDIWFXQCSOM-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC2CCCCCC2)CC[N@H+]1C ZINC001028096656 1340423894 /nfs/dbraw/zinc/42/38/94/1340423894.db2.gz BDSYMXWDOLTHPV-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCCC2)CC[NH+]1C ZINC001028096656 1340423897 /nfs/dbraw/zinc/42/38/97/1340423897.db2.gz BDSYMXWDOLTHPV-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCCC2)CC[NH+]1C ZINC001028096656 1340423900 /nfs/dbraw/zinc/42/39/00/1340423900.db2.gz BDSYMXWDOLTHPV-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCC(C)(C)CC2)CC1 ZINC001028118193 1340439285 /nfs/dbraw/zinc/43/92/85/1340439285.db2.gz XFDGVFLNAWFDBN-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC(C)(C)C ZINC001028180756 1340471276 /nfs/dbraw/zinc/47/12/76/1340471276.db2.gz FJULJMSYPKZYCK-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001028180756 1340471277 /nfs/dbraw/zinc/47/12/77/1340471277.db2.gz FJULJMSYPKZYCK-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC(C)(C)C ZINC001028180756 1340471279 /nfs/dbraw/zinc/47/12/79/1340471279.db2.gz FJULJMSYPKZYCK-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC2CC(C)(C)C2)CC1 ZINC001028234786 1340496503 /nfs/dbraw/zinc/49/65/03/1340496503.db2.gz HROVJIKIPBEAQB-LJQANCHMSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028235487 1340497729 /nfs/dbraw/zinc/49/77/29/1340497729.db2.gz YXUJRFZEKLNMBT-LJQANCHMSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001028334612 1340571315 /nfs/dbraw/zinc/57/13/15/1340571315.db2.gz DXPDKMSNUWAZHF-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC001028334612 1340571318 /nfs/dbraw/zinc/57/13/18/1340571318.db2.gz DXPDKMSNUWAZHF-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1=CCCCC1 ZINC001028334612 1340571320 /nfs/dbraw/zinc/57/13/20/1340571320.db2.gz DXPDKMSNUWAZHF-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001028334613 1340571770 /nfs/dbraw/zinc/57/17/70/1340571770.db2.gz DXPDKMSNUWAZHF-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC001028334613 1340571776 /nfs/dbraw/zinc/57/17/76/1340571776.db2.gz DXPDKMSNUWAZHF-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1=CCCCC1 ZINC001028334613 1340571781 /nfs/dbraw/zinc/57/17/81/1340571781.db2.gz DXPDKMSNUWAZHF-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001028636277 1340737651 /nfs/dbraw/zinc/73/76/51/1340737651.db2.gz NQYVLJMNJXSFPZ-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001028636277 1340737656 /nfs/dbraw/zinc/73/76/56/1340737656.db2.gz NQYVLJMNJXSFPZ-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001028636277 1340737660 /nfs/dbraw/zinc/73/76/60/1340737660.db2.gz NQYVLJMNJXSFPZ-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP O=C(NC[C@@H]1CC[N@@H+](CCCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001028658665 1340744303 /nfs/dbraw/zinc/74/43/03/1340744303.db2.gz BXDUACWYVXNUOL-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001028918441 1340883922 /nfs/dbraw/zinc/88/39/22/1340883922.db2.gz IATOUBSCXJJJCL-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001028918441 1340883924 /nfs/dbraw/zinc/88/39/24/1340883924.db2.gz IATOUBSCXJJJCL-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001028918441 1340883926 /nfs/dbraw/zinc/88/39/26/1340883926.db2.gz IATOUBSCXJJJCL-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001028918442 1340884159 /nfs/dbraw/zinc/88/41/59/1340884159.db2.gz IATOUBSCXJJJCL-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001028918442 1340884160 /nfs/dbraw/zinc/88/41/60/1340884160.db2.gz IATOUBSCXJJJCL-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001028918442 1340884161 /nfs/dbraw/zinc/88/41/61/1340884161.db2.gz IATOUBSCXJJJCL-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](CCC(C)(C)C)C2)c1 ZINC001029001406 1340904983 /nfs/dbraw/zinc/90/49/83/1340904983.db2.gz XDNUVJIKLMIDCA-GOSISDBHSA-N 2 1 345.531 3.236 20 0 EGADMP C[C@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001029147095 1340943056 /nfs/dbraw/zinc/94/30/56/1340943056.db2.gz NHHNLGZKRLWBJI-SJORKVTESA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001029152805 1340943995 /nfs/dbraw/zinc/94/39/95/1340943995.db2.gz JUHDKGPKODPFMR-MRXNPFEDSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001029164419 1340946202 /nfs/dbraw/zinc/94/62/02/1340946202.db2.gz JRJOJHUUOIEDTA-HKUYNNGSSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001029165880 1340946531 /nfs/dbraw/zinc/94/65/31/1340946531.db2.gz RHXGFVMWTMXRKG-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029172219 1340948298 /nfs/dbraw/zinc/94/82/98/1340948298.db2.gz AAVBKCRKVWLMMT-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1cccc(C)c1)[NH+](C)C ZINC001029477536 1340998255 /nfs/dbraw/zinc/99/82/55/1340998255.db2.gz HQWVQSQKJJGPTE-LMCOJAPRSA-N 2 1 343.515 3.071 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001029596113 1341018504 /nfs/dbraw/zinc/01/85/04/1341018504.db2.gz ZTQJEBVKIFLSTD-TZRIAGMCSA-N 2 1 345.531 3.035 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001029596113 1341018505 /nfs/dbraw/zinc/01/85/05/1341018505.db2.gz ZTQJEBVKIFLSTD-TZRIAGMCSA-N 2 1 345.531 3.035 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001029596113 1341018506 /nfs/dbraw/zinc/01/85/06/1341018506.db2.gz ZTQJEBVKIFLSTD-TZRIAGMCSA-N 2 1 345.531 3.035 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001029596892 1341018886 /nfs/dbraw/zinc/01/88/86/1341018886.db2.gz DHBJRLYEFVWODJ-BGYRXZFFSA-N 2 1 345.531 3.038 20 0 EGADMP C[N@@H+](C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1)CC1CCC(C)(C)CC1 ZINC001029674134 1341039779 /nfs/dbraw/zinc/03/97/79/1341039779.db2.gz CQMIKLYSSYGGAK-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)CC1CCC(C)(C)CC1 ZINC001029674134 1341039780 /nfs/dbraw/zinc/03/97/80/1341039780.db2.gz CQMIKLYSSYGGAK-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1)CC1CCC(C)(C)CC1 ZINC001029674134 1341039781 /nfs/dbraw/zinc/03/97/81/1341039781.db2.gz CQMIKLYSSYGGAK-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)C1(C(=O)N2CC[C@@H](C[N@H+](C)CC3CCCCCC3)C2)CCC1 ZINC001029756363 1341064073 /nfs/dbraw/zinc/06/40/73/1341064073.db2.gz UTNUAOMQFFTLQV-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001029774213 1341070017 /nfs/dbraw/zinc/07/00/17/1341070017.db2.gz KVCXPDSCLXZSQA-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029774213 1341070018 /nfs/dbraw/zinc/07/00/18/1341070018.db2.gz KVCXPDSCLXZSQA-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029774213 1341070019 /nfs/dbraw/zinc/07/00/19/1341070019.db2.gz KVCXPDSCLXZSQA-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCC2)C1 ZINC001029886676 1341105009 /nfs/dbraw/zinc/10/50/09/1341105009.db2.gz IBUGORARYCENMQ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001029886676 1341105010 /nfs/dbraw/zinc/10/50/10/1341105010.db2.gz IBUGORARYCENMQ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029886676 1341105011 /nfs/dbraw/zinc/10/50/11/1341105011.db2.gz IBUGORARYCENMQ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029910631 1341113739 /nfs/dbraw/zinc/11/37/39/1341113739.db2.gz SYLRPQKXEFQHFC-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001029910631 1341113740 /nfs/dbraw/zinc/11/37/40/1341113740.db2.gz SYLRPQKXEFQHFC-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001029910631 1341113741 /nfs/dbraw/zinc/11/37/41/1341113741.db2.gz SYLRPQKXEFQHFC-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP C[N@@H+](CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1)CC1CCCCCC1 ZINC001030013718 1341158157 /nfs/dbraw/zinc/15/81/57/1341158157.db2.gz QLGNTOIESZQLEY-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)CC1CCCCCC1 ZINC001030013718 1341158159 /nfs/dbraw/zinc/15/81/59/1341158159.db2.gz QLGNTOIESZQLEY-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)CC1CCCCCC1 ZINC001030013718 1341158161 /nfs/dbraw/zinc/15/81/61/1341158161.db2.gz QLGNTOIESZQLEY-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)c1cccc(Cl)c1 ZINC001030020077 1341159701 /nfs/dbraw/zinc/15/97/01/1341159701.db2.gz LHZIEOIPYZVZFD-JCGIZDLHSA-N 2 1 349.906 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001030444357 1341188031 /nfs/dbraw/zinc/18/80/31/1341188031.db2.gz IKDIWZFBVNJRDC-LJQANCHMSA-N 2 1 347.547 3.020 20 0 EGADMP Cc1c(C(=O)NC2C[NH+](CCC3CCCCC3)C2)ccc2c[nH+]cn21 ZINC001030586168 1341199298 /nfs/dbraw/zinc/19/92/98/1341199298.db2.gz FVGHQFLPVZMFES-UHFFFAOYSA-N 2 1 340.471 3.027 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001030595052 1341199634 /nfs/dbraw/zinc/19/96/34/1341199634.db2.gz YICAZDWMOJZFNQ-LJQANCHMSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001030595052 1341199635 /nfs/dbraw/zinc/19/96/35/1341199635.db2.gz YICAZDWMOJZFNQ-LJQANCHMSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC1C[NH+](CCC2CCCCC2)C1 ZINC001031438002 1341341990 /nfs/dbraw/zinc/34/19/90/1341341990.db2.gz PVXSLYIVVPWTGV-UHFFFAOYSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001031667161 1341385588 /nfs/dbraw/zinc/38/55/88/1341385588.db2.gz ZYAVPGHLSUZLEU-LJQANCHMSA-N 2 1 349.563 3.124 20 0 EGADMP O=C(NCC1C[NH+](CC2CCCCCC2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001031767785 1341399285 /nfs/dbraw/zinc/39/92/85/1341399285.db2.gz YESLEGXKHDMFHV-WOJBJXKFSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033125179 1341733292 /nfs/dbraw/zinc/73/32/92/1341733292.db2.gz AHDMHXOXAUKZKK-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033125179 1341733294 /nfs/dbraw/zinc/73/32/94/1341733294.db2.gz AHDMHXOXAUKZKK-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033125179 1341733298 /nfs/dbraw/zinc/73/32/98/1341733298.db2.gz AHDMHXOXAUKZKK-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001033143899 1341738428 /nfs/dbraw/zinc/73/84/28/1341738428.db2.gz NJDJWTCKGFNEIB-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001033143899 1341738431 /nfs/dbraw/zinc/73/84/31/1341738431.db2.gz NJDJWTCKGFNEIB-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001033143899 1341738434 /nfs/dbraw/zinc/73/84/34/1341738434.db2.gz NJDJWTCKGFNEIB-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)[C@H]1CCCC[NH+]1C1CCCC1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033365094 1341797119 /nfs/dbraw/zinc/79/71/19/1341797119.db2.gz KAUVESPNYMKIAH-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001033365094 1341797120 /nfs/dbraw/zinc/79/71/20/1341797120.db2.gz KAUVESPNYMKIAH-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001033365094 1341797121 /nfs/dbraw/zinc/79/71/21/1341797121.db2.gz KAUVESPNYMKIAH-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033466308 1341837202 /nfs/dbraw/zinc/83/72/02/1341837202.db2.gz JRRLXIQWMLOLDM-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033466308 1341837203 /nfs/dbraw/zinc/83/72/03/1341837203.db2.gz JRRLXIQWMLOLDM-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001033548818 1341867286 /nfs/dbraw/zinc/86/72/86/1341867286.db2.gz UPKZMYULKKDSTJ-IBGZPJMESA-N 2 1 349.563 3.076 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033927773 1342092674 /nfs/dbraw/zinc/09/26/74/1342092674.db2.gz PDSLRGBBKLAINW-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033927773 1342092676 /nfs/dbraw/zinc/09/26/76/1342092676.db2.gz PDSLRGBBKLAINW-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033927773 1342092678 /nfs/dbraw/zinc/09/26/78/1342092678.db2.gz PDSLRGBBKLAINW-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001034049597 1342189926 /nfs/dbraw/zinc/18/99/26/1342189926.db2.gz BOHPIVOCOJRZIL-MRXNPFEDSA-N 2 1 335.492 3.066 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001034272582 1342363783 /nfs/dbraw/zinc/36/37/83/1342363783.db2.gz VVZMPPOMZPFMCW-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001034272582 1342363786 /nfs/dbraw/zinc/36/37/86/1342363786.db2.gz VVZMPPOMZPFMCW-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001034272582 1342363787 /nfs/dbraw/zinc/36/37/87/1342363787.db2.gz VVZMPPOMZPFMCW-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001034272582 1342363789 /nfs/dbraw/zinc/36/37/89/1342363789.db2.gz VVZMPPOMZPFMCW-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCCC[N@@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001034437670 1342500012 /nfs/dbraw/zinc/50/00/12/1342500012.db2.gz IBACOWOHCGJHCI-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034440010 1342501410 /nfs/dbraw/zinc/50/14/10/1342501410.db2.gz YIFVQYCBBXIQLL-RBUKOAKNSA-N 2 1 335.536 3.188 20 0 EGADMP O=C(N[C@H]1CCCC[N@@H+](CCCC2CCCC2)C1)C12CC[NH+](CC1)C2 ZINC001034487614 1342545921 /nfs/dbraw/zinc/54/59/21/1342545921.db2.gz PKEIEDAKNJRUFF-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](CCCC3CCCC3)C2)C1 ZINC001034490636 1342547006 /nfs/dbraw/zinc/54/70/06/1342547006.db2.gz MKDIKTAFDUUKDZ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@H+](CCCC3CCCC3)C2)C1 ZINC001034490636 1342547009 /nfs/dbraw/zinc/54/70/09/1342547009.db2.gz MKDIKTAFDUUKDZ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001034490636 1342547011 /nfs/dbraw/zinc/54/70/11/1342547011.db2.gz MKDIKTAFDUUKDZ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCCC[N@@H+](C/C=C/Cl)C1 ZINC001034543202 1342604141 /nfs/dbraw/zinc/60/41/41/1342604141.db2.gz ZLWJRFRKKHPDTF-ZBZNSMLMSA-N 2 1 349.906 3.085 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034658798 1342676003 /nfs/dbraw/zinc/67/60/03/1342676003.db2.gz GUEDSUYTJUUQPT-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)cs1 ZINC001034736265 1342729098 /nfs/dbraw/zinc/72/90/98/1342729098.db2.gz VASQPGMJTPISKK-WBAXXEDZSA-N 2 1 349.544 3.058 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC)cc1 ZINC001034828196 1342789337 /nfs/dbraw/zinc/78/93/37/1342789337.db2.gz NNWMVZNTBGXRFK-IBGZPJMESA-N 2 1 331.504 3.067 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001034942759 1342844867 /nfs/dbraw/zinc/84/48/67/1342844867.db2.gz SLCZHVYLLPIFJU-SJLPKXTDSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001035052478 1342899197 /nfs/dbraw/zinc/89/91/97/1342899197.db2.gz YGIBBPDSERZASR-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001035069668 1342911128 /nfs/dbraw/zinc/91/11/28/1342911128.db2.gz CSXMXUJYACVSFY-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035194024 1343007466 /nfs/dbraw/zinc/00/74/66/1343007466.db2.gz STKZKIANKGGYHX-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035194024 1343007469 /nfs/dbraw/zinc/00/74/69/1343007469.db2.gz STKZKIANKGGYHX-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035194024 1343007473 /nfs/dbraw/zinc/00/74/73/1343007473.db2.gz STKZKIANKGGYHX-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C(=O)N1CCC2(CC[N@@H+](CC3CC(C)(C)C3)C2)CC1)[NH+](C)C ZINC001035228843 1343050564 /nfs/dbraw/zinc/05/05/64/1343050564.db2.gz CNCJGFSBTVCYOM-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001036098975 1343312243 /nfs/dbraw/zinc/31/22/43/1343312243.db2.gz XCAZGPNIPKIGSE-QFBILLFUSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CC1CCC1 ZINC001036580835 1343564308 /nfs/dbraw/zinc/56/43/08/1343564308.db2.gz IKHGWEQJLPTCCT-AEFFLSMTSA-N 2 1 346.519 3.023 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001037045517 1343946988 /nfs/dbraw/zinc/94/69/88/1343946988.db2.gz VOLLWSQAXPSXGZ-RBUKOAKNSA-N 2 1 346.519 3.036 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001037078387 1343970533 /nfs/dbraw/zinc/97/05/33/1343970533.db2.gz IZLJACGOFIUECH-MOPGFXCFSA-N 2 1 347.547 3.093 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001037135413 1343985244 /nfs/dbraw/zinc/98/52/44/1343985244.db2.gz AKNSOVSHGNRBCW-MOPGFXCFSA-N 2 1 346.519 3.036 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038329253 1344381987 /nfs/dbraw/zinc/38/19/87/1344381987.db2.gz PASZNLIEXPJQCX-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCCC1 ZINC001038329253 1344381990 /nfs/dbraw/zinc/38/19/90/1344381990.db2.gz PASZNLIEXPJQCX-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001038329253 1344381994 /nfs/dbraw/zinc/38/19/94/1344381994.db2.gz PASZNLIEXPJQCX-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCC2=CCCCC2)C1 ZINC001038625877 1344509714 /nfs/dbraw/zinc/50/97/14/1344509714.db2.gz SMJHIDOTHOCAKS-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCC2=CCCCC2)C1 ZINC001038625877 1344509719 /nfs/dbraw/zinc/50/97/19/1344509719.db2.gz SMJHIDOTHOCAKS-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCC2=CCCCC2)C1 ZINC001038625877 1344509722 /nfs/dbraw/zinc/50/97/22/1344509722.db2.gz SMJHIDOTHOCAKS-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1=CCCCC1 ZINC001038906600 1344645000 /nfs/dbraw/zinc/64/50/00/1344645000.db2.gz CHSZJXBAFJMSLG-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001038906600 1344645003 /nfs/dbraw/zinc/64/50/03/1344645003.db2.gz CHSZJXBAFJMSLG-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1=CCCCC1 ZINC001038906600 1344645007 /nfs/dbraw/zinc/64/50/07/1344645007.db2.gz CHSZJXBAFJMSLG-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCC1 ZINC001038908080 1344646833 /nfs/dbraw/zinc/64/68/33/1344646833.db2.gz HNHFDTUJIWLOMI-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCC1 ZINC001038908080 1344646836 /nfs/dbraw/zinc/64/68/36/1344646836.db2.gz HNHFDTUJIWLOMI-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCC1 ZINC001038908080 1344646840 /nfs/dbraw/zinc/64/68/40/1344646840.db2.gz HNHFDTUJIWLOMI-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039136971 1344815666 /nfs/dbraw/zinc/81/56/66/1344815666.db2.gz LEVHQOVWEZTBQA-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001039299885 1345002775 /nfs/dbraw/zinc/00/27/75/1345002775.db2.gz MFBRQXCHZPOKQP-AYHJJNSGSA-N 2 1 346.519 3.164 20 0 EGADMP CC(C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001039375334 1345032742 /nfs/dbraw/zinc/03/27/42/1345032742.db2.gz YPQQHEHCSNZGOG-RLLQIKCJSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001039375334 1345032745 /nfs/dbraw/zinc/03/27/45/1345032745.db2.gz YPQQHEHCSNZGOG-RLLQIKCJSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001039375334 1345032749 /nfs/dbraw/zinc/03/27/49/1345032749.db2.gz YPQQHEHCSNZGOG-RLLQIKCJSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001039474562 1345089268 /nfs/dbraw/zinc/08/92/68/1345089268.db2.gz OOOQPELIINANQU-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001039652850 1345153638 /nfs/dbraw/zinc/15/36/38/1345153638.db2.gz RNCDRJGUMLOUCZ-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001039652850 1345153642 /nfs/dbraw/zinc/15/36/42/1345153642.db2.gz RNCDRJGUMLOUCZ-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001039652850 1345153643 /nfs/dbraw/zinc/15/36/43/1345153643.db2.gz RNCDRJGUMLOUCZ-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CCCCC1)[NH+](C)C ZINC001039681618 1345157476 /nfs/dbraw/zinc/15/74/76/1345157476.db2.gz KEMXOKIRQWAMHU-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CC1 ZINC001039937950 1345251910 /nfs/dbraw/zinc/25/19/10/1345251910.db2.gz JBFAOYATSRSAQC-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001039937950 1345251916 /nfs/dbraw/zinc/25/19/16/1345251916.db2.gz JBFAOYATSRSAQC-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001039937950 1345251921 /nfs/dbraw/zinc/25/19/21/1345251921.db2.gz JBFAOYATSRSAQC-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C(C)C)o1 ZINC001040022006 1345290817 /nfs/dbraw/zinc/29/08/17/1345290817.db2.gz QDLQCOFMMIAZNP-CALCHBBNSA-N 2 1 347.503 3.209 20 0 EGADMP CCCC[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040295483 1345417752 /nfs/dbraw/zinc/41/77/52/1345417752.db2.gz GEQARRYXCYIJNX-FQEVSTJZSA-N 2 1 340.471 3.063 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040463528 1345510051 /nfs/dbraw/zinc/51/00/51/1345510051.db2.gz HEDZHDRCAFECFW-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040543936 1345539116 /nfs/dbraw/zinc/53/91/16/1345539116.db2.gz RUBCSADKYLXMPP-FPOVZHCZSA-N 2 1 349.563 3.223 20 0 EGADMP C[NH+](C)Cc1cc(O[C@@H]2C[NH2+]CCC23CC3)ccc1Br ZINC001218407289 1373609289 /nfs/dbraw/zinc/60/92/89/1373609289.db2.gz ZUIXFLKMKOKHHW-OAHLLOKOSA-N 2 1 339.277 3.032 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041336366 1345705675 /nfs/dbraw/zinc/70/56/75/1345705675.db2.gz OKVHYCFOHHTCPL-LJQANCHMSA-N 2 1 349.544 3.004 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041373386 1345711553 /nfs/dbraw/zinc/71/15/53/1345711553.db2.gz UQWXLEQHKMBIQH-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041373386 1345711557 /nfs/dbraw/zinc/71/15/57/1345711557.db2.gz UQWXLEQHKMBIQH-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041373386 1345711558 /nfs/dbraw/zinc/71/15/58/1345711558.db2.gz UQWXLEQHKMBIQH-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041845233 1345871613 /nfs/dbraw/zinc/87/16/13/1345871613.db2.gz VVJKSWBEENUGFR-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C2C[NH+](CCC3CCCCC3)C2)C1 ZINC001042912894 1346124804 /nfs/dbraw/zinc/12/48/04/1346124804.db2.gz WKLSDJJEXOQNLB-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1C[NH+](CCC2CCCCCC2)C1 ZINC001043520967 1346186035 /nfs/dbraw/zinc/18/60/35/1346186035.db2.gz OYAQIWKIDSRIIE-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044630475 1346388154 /nfs/dbraw/zinc/38/81/54/1346388154.db2.gz WSMARCCCOUNZNF-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001045068409 1346489365 /nfs/dbraw/zinc/48/93/65/1346489365.db2.gz KOQRTYJIJPJCOL-ROUUACIJSA-N 2 1 349.544 3.092 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CCC2CCCCC2)CC1 ZINC001045385816 1346579821 /nfs/dbraw/zinc/57/98/21/1346579821.db2.gz YBUCLRBLUXTUEM-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CC3CCC(C)CC3)CC2)CC[N@H+]1C ZINC001045444878 1346595497 /nfs/dbraw/zinc/59/54/97/1346595497.db2.gz IDYVYGLIGKDFOX-JWHDQAAXSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001045584553 1346637038 /nfs/dbraw/zinc/63/70/38/1346637038.db2.gz GRRMGAZAIPIGFY-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001045584551 1346637074 /nfs/dbraw/zinc/63/70/74/1346637074.db2.gz GRRMGAZAIPIGFY-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001045847479 1346720087 /nfs/dbraw/zinc/72/00/87/1346720087.db2.gz HRTDDGCJFLIXFV-SXLOBPIMSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001045847479 1346720090 /nfs/dbraw/zinc/72/00/90/1346720090.db2.gz HRTDDGCJFLIXFV-SXLOBPIMSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001045847479 1346720091 /nfs/dbraw/zinc/72/00/91/1346720091.db2.gz HRTDDGCJFLIXFV-SXLOBPIMSA-N 2 1 345.531 3.036 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@]3(CC[NH+](CC(C)C)C3)C2)CC[N@H+]1C ZINC001045938998 1346775062 /nfs/dbraw/zinc/77/50/62/1346775062.db2.gz RIXJHRSXFLHUGG-QKNQBKEWSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@]3(CC[N@H+](CC(C)C)C3)C2)CC[NH+]1C ZINC001045938998 1346775063 /nfs/dbraw/zinc/77/50/63/1346775063.db2.gz RIXJHRSXFLHUGG-QKNQBKEWSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@]3(CC[N@@H+](CC(C)C)C3)C2)CC[NH+]1C ZINC001045938998 1346775065 /nfs/dbraw/zinc/77/50/65/1346775065.db2.gz RIXJHRSXFLHUGG-QKNQBKEWSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001045951920 1346786749 /nfs/dbraw/zinc/78/67/49/1346786749.db2.gz KJEMWFQLUARHIX-HXUWFJFHSA-N 2 1 340.471 3.061 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960448 1346795259 /nfs/dbraw/zinc/79/52/59/1346795259.db2.gz KBQAWJDDJQTHFY-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046318366 1346933249 /nfs/dbraw/zinc/93/32/49/1346933249.db2.gz KUJDOQKAJAHRAT-NQIIRXRSSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046318366 1346933251 /nfs/dbraw/zinc/93/32/51/1346933251.db2.gz KUJDOQKAJAHRAT-NQIIRXRSSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046318366 1346933254 /nfs/dbraw/zinc/93/32/54/1346933254.db2.gz KUJDOQKAJAHRAT-NQIIRXRSSA-N 2 1 347.547 3.188 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001046554339 1347015035 /nfs/dbraw/zinc/01/50/35/1347015035.db2.gz OMEAZEFOABXQTD-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001046554339 1347015036 /nfs/dbraw/zinc/01/50/36/1347015036.db2.gz OMEAZEFOABXQTD-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001046554339 1347015037 /nfs/dbraw/zinc/01/50/37/1347015037.db2.gz OMEAZEFOABXQTD-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@]2(C)CC[NH+](CCCC3CCC3)C2)C1 ZINC001046562321 1347018322 /nfs/dbraw/zinc/01/83/22/1347018322.db2.gz MJFPXDJRSLLIKL-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCCC3CCC3)C2)C1 ZINC001046562321 1347018323 /nfs/dbraw/zinc/01/83/23/1347018323.db2.gz MJFPXDJRSLLIKL-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001046562321 1347018325 /nfs/dbraw/zinc/01/83/25/1347018325.db2.gz MJFPXDJRSLLIKL-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046863613 1347135997 /nfs/dbraw/zinc/13/59/97/1347135997.db2.gz DZSAGIMOUANOEK-LJQANCHMSA-N 2 1 335.492 3.116 20 0 EGADMP CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001047244409 1347269755 /nfs/dbraw/zinc/26/97/55/1347269755.db2.gz RJLQHJZTHXZBTH-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H](C3CC[NH+](CC)CC3)C2)C1 ZINC001047248598 1347273438 /nfs/dbraw/zinc/27/34/38/1347273438.db2.gz NGGBKSBRQXBBBL-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698241 1357350494 /nfs/dbraw/zinc/35/04/94/1357350494.db2.gz QTSKVFJLSKXWPD-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001048510466 1347572536 /nfs/dbraw/zinc/57/25/36/1347572536.db2.gz MPURPWKAUDPKKE-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001048510466 1347572539 /nfs/dbraw/zinc/57/25/39/1347572539.db2.gz MPURPWKAUDPKKE-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001048510466 1347572541 /nfs/dbraw/zinc/57/25/41/1347572541.db2.gz MPURPWKAUDPKKE-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3CCCC[NH+]3C1)C2 ZINC001048525210 1347577220 /nfs/dbraw/zinc/57/72/20/1347577220.db2.gz OYNBYTHSMLKJBP-SWBPCFCJSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3CCCC[N@@H+]3C1)C2 ZINC001048525210 1347577222 /nfs/dbraw/zinc/57/72/22/1347577222.db2.gz OYNBYTHSMLKJBP-SWBPCFCJSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3CCCC[N@H+]3C1)C2 ZINC001048525210 1347577226 /nfs/dbraw/zinc/57/72/26/1347577226.db2.gz OYNBYTHSMLKJBP-SWBPCFCJSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001048526817 1347578200 /nfs/dbraw/zinc/57/82/00/1347578200.db2.gz MRKBWMHZKZGYLC-YRPNKDGESA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001048526817 1347578202 /nfs/dbraw/zinc/57/82/02/1347578202.db2.gz MRKBWMHZKZGYLC-YRPNKDGESA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001048526817 1347578204 /nfs/dbraw/zinc/57/82/04/1347578204.db2.gz MRKBWMHZKZGYLC-YRPNKDGESA-N 2 1 347.547 3.019 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048538252 1347583684 /nfs/dbraw/zinc/58/36/84/1347583684.db2.gz NNVRPWNKLUSCOU-OUUBHVDSSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[N@@H+]31)C2 ZINC001048538252 1347583686 /nfs/dbraw/zinc/58/36/86/1347583686.db2.gz NNVRPWNKLUSCOU-OUUBHVDSSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)C2 ZINC001048538252 1347583687 /nfs/dbraw/zinc/58/36/87/1347583687.db2.gz NNVRPWNKLUSCOU-OUUBHVDSSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001048611121 1347618215 /nfs/dbraw/zinc/61/82/15/1347618215.db2.gz OUHHPWOOBWQGMB-UFYCRDLUSA-N 2 1 349.563 3.173 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCC(C)C)C[C@@H]2C1 ZINC001049165084 1347737549 /nfs/dbraw/zinc/73/75/49/1347737549.db2.gz GOQPKAZOGXWCGF-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]2C1 ZINC001049165084 1347737550 /nfs/dbraw/zinc/73/75/50/1347737550.db2.gz GOQPKAZOGXWCGF-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCC(C)C)C[C@@H]2C1 ZINC001049165084 1347737551 /nfs/dbraw/zinc/73/75/51/1347737551.db2.gz GOQPKAZOGXWCGF-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510676 1347885162 /nfs/dbraw/zinc/88/51/62/1347885162.db2.gz IKARGRKKJXYDQB-SJORKVTESA-N 2 1 349.544 3.289 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510676 1347885165 /nfs/dbraw/zinc/88/51/65/1347885165.db2.gz IKARGRKKJXYDQB-SJORKVTESA-N 2 1 349.544 3.289 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC2CCCCC2)CCC1 ZINC001049517050 1347888138 /nfs/dbraw/zinc/88/81/38/1347888138.db2.gz GMBPDXALHAPTRZ-OALUTQOASA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CCCCC1)[NH+](C)C ZINC001049548876 1347902983 /nfs/dbraw/zinc/90/29/83/1347902983.db2.gz GGXPOPZCZZXZJC-VAMGGRTRSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049637594 1347947465 /nfs/dbraw/zinc/94/74/65/1347947465.db2.gz HRNYOLNIFNBGOO-ZWKOTPCHSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049672391 1347966191 /nfs/dbraw/zinc/96/61/91/1347966191.db2.gz SJJVMXAGYONRMI-IJXRJRJASA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049672391 1347966193 /nfs/dbraw/zinc/96/61/93/1347966193.db2.gz SJJVMXAGYONRMI-IJXRJRJASA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049672391 1347966194 /nfs/dbraw/zinc/96/61/94/1347966194.db2.gz SJJVMXAGYONRMI-IJXRJRJASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677108 1347967859 /nfs/dbraw/zinc/96/78/59/1347967859.db2.gz RRHCAYXGFOSTGI-ROUUACIJSA-N 2 1 347.503 3.066 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677108 1347967863 /nfs/dbraw/zinc/96/78/63/1347967863.db2.gz RRHCAYXGFOSTGI-ROUUACIJSA-N 2 1 347.503 3.066 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC1CCC1)[NH+](C)C ZINC001049711507 1347986393 /nfs/dbraw/zinc/98/63/93/1347986393.db2.gz MOONIKFQWRGSOL-SLFFLAALSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC1CCC1)[NH+](C)C ZINC001049711508 1347986921 /nfs/dbraw/zinc/98/69/21/1347986921.db2.gz MOONIKFQWRGSOL-VAMGGRTRSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049821178 1348037993 /nfs/dbraw/zinc/03/79/93/1348037993.db2.gz UFBNJMGCUFUALJ-WOJBJXKFSA-N 2 1 347.547 3.138 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001050543689 1348286893 /nfs/dbraw/zinc/28/68/93/1348286893.db2.gz KCKZTTDWKKUNIK-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001050661547 1348320889 /nfs/dbraw/zinc/32/08/89/1348320889.db2.gz XXSYIQCQTZIRCT-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCC2CC2)CC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001052447378 1348543700 /nfs/dbraw/zinc/54/37/00/1348543700.db2.gz CUEKYQKOUXTPLM-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CCC2CC2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001052447378 1348543701 /nfs/dbraw/zinc/54/37/01/1348543701.db2.gz CUEKYQKOUXTPLM-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CCC2CC2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001052447378 1348543704 /nfs/dbraw/zinc/54/37/04/1348543704.db2.gz CUEKYQKOUXTPLM-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448297 1348544629 /nfs/dbraw/zinc/54/46/29/1348544629.db2.gz XBAURIBZSQSNOW-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052448297 1348544632 /nfs/dbraw/zinc/54/46/32/1348544632.db2.gz XBAURIBZSQSNOW-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052448297 1348544633 /nfs/dbraw/zinc/54/46/33/1348544633.db2.gz XBAURIBZSQSNOW-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC001052563240 1348580478 /nfs/dbraw/zinc/58/04/78/1348580478.db2.gz LKXGOJFWJSGTFB-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001052563240 1348580481 /nfs/dbraw/zinc/58/04/81/1348580481.db2.gz LKXGOJFWJSGTFB-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680746 1348627990 /nfs/dbraw/zinc/62/79/90/1348627990.db2.gz SQCGDGKRJQFLOS-FXAWDEMLSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC001052764383 1348669615 /nfs/dbraw/zinc/66/96/15/1348669615.db2.gz NSCHIMJROIMJOR-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC001052764383 1348669617 /nfs/dbraw/zinc/66/96/17/1348669617.db2.gz NSCHIMJROIMJOR-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC001052764383 1348669619 /nfs/dbraw/zinc/66/96/19/1348669619.db2.gz NSCHIMJROIMJOR-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CC(C)C3)CC2)CC1 ZINC001052836628 1348695162 /nfs/dbraw/zinc/69/51/62/1348695162.db2.gz KOTYFFVYKACEPO-AFMYVXGZSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001052955467 1348769824 /nfs/dbraw/zinc/76/98/24/1348769824.db2.gz GPUAGSVZBFQAPW-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001052955467 1348769826 /nfs/dbraw/zinc/76/98/26/1348769826.db2.gz GPUAGSVZBFQAPW-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001052955467 1348769830 /nfs/dbraw/zinc/76/98/30/1348769830.db2.gz GPUAGSVZBFQAPW-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP C/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCC(C)C)CC1 ZINC001052989937 1348790280 /nfs/dbraw/zinc/79/02/80/1348790280.db2.gz DYASPTBXEBVZSB-GESBCVMHSA-N 2 1 347.547 3.138 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053037361 1348837642 /nfs/dbraw/zinc/83/76/42/1348837642.db2.gz ZBHIRUZLKGAKKZ-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053097128 1348927814 /nfs/dbraw/zinc/92/78/14/1348927814.db2.gz CMVSZCDBEZSJMN-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001053097128 1348927817 /nfs/dbraw/zinc/92/78/17/1348927817.db2.gz CMVSZCDBEZSJMN-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001053097128 1348927819 /nfs/dbraw/zinc/92/78/19/1348927819.db2.gz CMVSZCDBEZSJMN-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107571 1348946444 /nfs/dbraw/zinc/94/64/44/1348946444.db2.gz JJPACXDVFLBGSB-RTBURBONSA-N 2 1 346.519 3.085 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107571 1348946449 /nfs/dbraw/zinc/94/64/49/1348946449.db2.gz JJPACXDVFLBGSB-RTBURBONSA-N 2 1 346.519 3.085 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142494 1349152901 /nfs/dbraw/zinc/15/29/01/1349152901.db2.gz CZDZEJALNWVKAX-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054142494 1349152904 /nfs/dbraw/zinc/15/29/04/1349152904.db2.gz CZDZEJALNWVKAX-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054142494 1349152907 /nfs/dbraw/zinc/15/29/07/1349152907.db2.gz CZDZEJALNWVKAX-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001054159470 1349160979 /nfs/dbraw/zinc/16/09/79/1349160979.db2.gz VVCSXDLTBCLBBQ-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159470 1349160981 /nfs/dbraw/zinc/16/09/81/1349160981.db2.gz VVCSXDLTBCLBBQ-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159470 1349160982 /nfs/dbraw/zinc/16/09/82/1349160982.db2.gz VVCSXDLTBCLBBQ-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164277 1349167495 /nfs/dbraw/zinc/16/74/95/1349167495.db2.gz FZXVZLJFRYRWDA-FQEVSTJZSA-N 2 1 340.471 3.063 20 0 EGADMP CCCC[N@H+]1Cc2ccc(CNC(=O)C34CCC[NH+]3CCC4)cc2C1 ZINC001054273170 1349272716 /nfs/dbraw/zinc/27/27/16/1349272716.db2.gz YPADALRKUXQEPB-UHFFFAOYSA-N 2 1 341.499 3.047 20 0 EGADMP CC(C)[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)cc2C1 ZINC001054285311 1349286634 /nfs/dbraw/zinc/28/66/34/1349286634.db2.gz CQNYWBVFZXWKMN-UXHICEINSA-N 2 1 341.499 3.044 20 0 EGADMP CC(C)[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)cc2C1 ZINC001054285311 1349286637 /nfs/dbraw/zinc/28/66/37/1349286637.db2.gz CQNYWBVFZXWKMN-UXHICEINSA-N 2 1 341.499 3.044 20 0 EGADMP CC(C)[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)cc2C1 ZINC001054285311 1349286638 /nfs/dbraw/zinc/28/66/38/1349286638.db2.gz CQNYWBVFZXWKMN-UXHICEINSA-N 2 1 341.499 3.044 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@H]4CCC[NH+]43)cc2C1 ZINC001054285717 1349288339 /nfs/dbraw/zinc/28/83/39/1349288339.db2.gz WIFJHTGNYAFXRW-VQTJNVASSA-N 2 1 341.499 3.045 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)cc2C1 ZINC001054285717 1349288346 /nfs/dbraw/zinc/28/83/46/1349288346.db2.gz WIFJHTGNYAFXRW-VQTJNVASSA-N 2 1 341.499 3.045 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)cc2C1 ZINC001054285717 1349288347 /nfs/dbraw/zinc/28/83/47/1349288347.db2.gz WIFJHTGNYAFXRW-VQTJNVASSA-N 2 1 341.499 3.045 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001080050622 1357468328 /nfs/dbraw/zinc/46/83/28/1357468328.db2.gz CJYKSUSHSGJJEA-JXXFODFXSA-N 2 1 348.450 3.146 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318486 1357572507 /nfs/dbraw/zinc/57/25/07/1357572507.db2.gz UJWZOXZRMDPRSI-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001080318486 1357572508 /nfs/dbraw/zinc/57/25/08/1357572508.db2.gz UJWZOXZRMDPRSI-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001080318486 1357572509 /nfs/dbraw/zinc/57/25/09/1357572509.db2.gz UJWZOXZRMDPRSI-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C ZINC001080541463 1357668526 /nfs/dbraw/zinc/66/85/26/1357668526.db2.gz UYKQMPHQUNIKEW-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C ZINC001080541463 1357668529 /nfs/dbraw/zinc/66/85/29/1357668529.db2.gz UYKQMPHQUNIKEW-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1C ZINC001080557195 1357678439 /nfs/dbraw/zinc/67/84/39/1357678439.db2.gz JVBVDYOOVJTDQU-KZNAEPCWSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001080557195 1357678441 /nfs/dbraw/zinc/67/84/41/1357678441.db2.gz JVBVDYOOVJTDQU-KZNAEPCWSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001080557195 1357678442 /nfs/dbraw/zinc/67/84/42/1357678442.db2.gz JVBVDYOOVJTDQU-KZNAEPCWSA-N 2 1 337.552 3.122 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC=C(C)C)C[C@H]1C ZINC001080756205 1357733756 /nfs/dbraw/zinc/73/37/56/1357733756.db2.gz LXYJORVAKYFKAM-GUDVDZBRSA-N 2 1 335.536 3.044 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001080756205 1357733758 /nfs/dbraw/zinc/73/37/58/1357733758.db2.gz LXYJORVAKYFKAM-GUDVDZBRSA-N 2 1 335.536 3.044 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001080756205 1357733759 /nfs/dbraw/zinc/73/37/59/1357733759.db2.gz LXYJORVAKYFKAM-GUDVDZBRSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080782889 1357738745 /nfs/dbraw/zinc/73/87/45/1357738745.db2.gz GGLHEHDGGKISRW-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080782889 1357738750 /nfs/dbraw/zinc/73/87/50/1357738750.db2.gz GGLHEHDGGKISRW-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080782889 1357738752 /nfs/dbraw/zinc/73/87/52/1357738752.db2.gz GGLHEHDGGKISRW-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071507987 1354732540 /nfs/dbraw/zinc/73/25/40/1354732540.db2.gz FXGOAIKBQKIUHB-MSOLQXFVSA-N 2 1 335.536 3.186 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[N@H+]1CC1CCCC1 ZINC001071600059 1354788008 /nfs/dbraw/zinc/78/80/08/1354788008.db2.gz FMGJMLMVCDUGEU-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001071735205 1354886881 /nfs/dbraw/zinc/88/68/81/1354886881.db2.gz HUQTUQMGQWMTDQ-SJLPKXTDSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CCCC1CCC1 ZINC001071734809 1354887104 /nfs/dbraw/zinc/88/71/04/1354887104.db2.gz AXGHZUVYEPYFMZ-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1Cc1ccsc1 ZINC001071735967 1354888490 /nfs/dbraw/zinc/88/84/90/1354888490.db2.gz VQNQJHGCXVZALC-DOTOQJQBSA-N 2 1 349.544 3.092 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1Cc1ccsc1 ZINC001071735967 1354888491 /nfs/dbraw/zinc/88/84/91/1354888491.db2.gz VQNQJHGCXVZALC-DOTOQJQBSA-N 2 1 349.544 3.092 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CCCC1CCC1 ZINC001071871725 1354997108 /nfs/dbraw/zinc/99/71/08/1354997108.db2.gz JYAYAUNSHJSTFV-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCCC3CCC3)C2)CC1 ZINC001071920875 1355025507 /nfs/dbraw/zinc/02/55/07/1355025507.db2.gz YRFHVYOXNBJKGY-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CC1CCCCCC1 ZINC001072081005 1355118484 /nfs/dbraw/zinc/11/84/84/1355118484.db2.gz FJVLRIARTWDIDL-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccsc1)C1CCC1 ZINC001074023834 1356040094 /nfs/dbraw/zinc/04/00/94/1356040094.db2.gz JLMFBLAFOQKRLO-GOSISDBHSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001074023834 1356040099 /nfs/dbraw/zinc/04/00/99/1356040099.db2.gz JLMFBLAFOQKRLO-GOSISDBHSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001074023834 1356040101 /nfs/dbraw/zinc/04/01/01/1356040101.db2.gz JLMFBLAFOQKRLO-GOSISDBHSA-N 2 1 349.544 3.045 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001074025989 1356040199 /nfs/dbraw/zinc/04/01/99/1356040199.db2.gz BGXGGSBGRBTTCF-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCC1)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001074025989 1356040201 /nfs/dbraw/zinc/04/02/01/1356040201.db2.gz BGXGGSBGRBTTCF-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCC1)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001074025989 1356040204 /nfs/dbraw/zinc/04/02/04/1356040204.db2.gz BGXGGSBGRBTTCF-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001074092126 1356078257 /nfs/dbraw/zinc/07/82/57/1356078257.db2.gz WJERFVBGLPHLHJ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001074092126 1356078259 /nfs/dbraw/zinc/07/82/59/1356078259.db2.gz WJERFVBGLPHLHJ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001074092126 1356078260 /nfs/dbraw/zinc/07/82/60/1356078260.db2.gz WJERFVBGLPHLHJ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448310 1356381012 /nfs/dbraw/zinc/38/10/12/1356381012.db2.gz SXMSSSZVPJLRQY-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075448310 1356381014 /nfs/dbraw/zinc/38/10/14/1356381014.db2.gz SXMSSSZVPJLRQY-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075448310 1356381016 /nfs/dbraw/zinc/38/10/16/1356381016.db2.gz SXMSSSZVPJLRQY-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461520 1356394751 /nfs/dbraw/zinc/39/47/51/1356394751.db2.gz JZQJAWUUQXHZSD-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461520 1356394753 /nfs/dbraw/zinc/39/47/53/1356394753.db2.gz JZQJAWUUQXHZSD-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461520 1356394754 /nfs/dbraw/zinc/39/47/54/1356394754.db2.gz JZQJAWUUQXHZSD-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1CC ZINC001323142418 1387300226 /nfs/dbraw/zinc/30/02/26/1387300226.db2.gz IZTXJKJFUPJWIA-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001082698383 1358077643 /nfs/dbraw/zinc/07/76/43/1358077643.db2.gz FJDWAIOWMHECFZ-YZGWKJHDSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084469596 1358220914 /nfs/dbraw/zinc/22/09/14/1358220914.db2.gz DCKSAILVMDPOEG-IEBWSBKVSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084469596 1358220916 /nfs/dbraw/zinc/22/09/16/1358220916.db2.gz DCKSAILVMDPOEG-IEBWSBKVSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084469596 1358220918 /nfs/dbraw/zinc/22/09/18/1358220918.db2.gz DCKSAILVMDPOEG-IEBWSBKVSA-N 2 1 349.563 3.218 20 0 EGADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085225072 1358437662 /nfs/dbraw/zinc/43/76/62/1358437662.db2.gz HGLMEPTZLPFPLS-AQNXPRMDSA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCC2CCCC2)C1 ZINC001085639488 1358652236 /nfs/dbraw/zinc/65/22/36/1358652236.db2.gz PRVKDBBJHCMSRM-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC2CCCC2)C1 ZINC001085639488 1358652240 /nfs/dbraw/zinc/65/22/40/1358652240.db2.gz PRVKDBBJHCMSRM-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCC2CCCC2)C1 ZINC001085639488 1358652247 /nfs/dbraw/zinc/65/22/47/1358652247.db2.gz PRVKDBBJHCMSRM-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCC1CCCCCC1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085675421 1358679376 /nfs/dbraw/zinc/67/93/76/1358679376.db2.gz RZPNCGJRLVTHCG-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C[C@H]1CC[NH+]1CCC1CCCCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085675421 1358679378 /nfs/dbraw/zinc/67/93/78/1358679378.db2.gz RZPNCGJRLVTHCG-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C[C@H]1CC[NH+]1CCC1CCCCCC1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001085675421 1358679380 /nfs/dbraw/zinc/67/93/80/1358679380.db2.gz RZPNCGJRLVTHCG-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCC1 ZINC001085688145 1358688066 /nfs/dbraw/zinc/68/80/66/1358688066.db2.gz CSHBYIHRQZCQMH-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC001085688145 1358688069 /nfs/dbraw/zinc/68/80/69/1358688069.db2.gz CSHBYIHRQZCQMH-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001085688145 1358688071 /nfs/dbraw/zinc/68/80/71/1358688071.db2.gz CSHBYIHRQZCQMH-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1c(C(=O)N(C)C[C@H]2CC[N@H+]2CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001085686068 1358688527 /nfs/dbraw/zinc/68/85/27/1358688527.db2.gz IOWPBIBAXRGPPQ-QGZVFWFLSA-N 2 1 342.487 3.225 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCCC2CCC2)CC1 ZINC001085901970 1358860018 /nfs/dbraw/zinc/86/00/18/1358860018.db2.gz RGOGNCUMBUDANU-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CCC(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086177049 1359016376 /nfs/dbraw/zinc/01/63/76/1359016376.db2.gz CRNXIFQEROHULK-OMRUQTPYSA-N 2 1 349.563 3.027 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001086250874 1359042370 /nfs/dbraw/zinc/04/23/70/1359042370.db2.gz QJGHIKDBGMCRBR-VWAQSERHSA-N 2 1 349.563 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086278642 1359051871 /nfs/dbraw/zinc/05/18/71/1359051871.db2.gz GUSCUJYSEOQHTB-XEYPJELSSA-N 2 1 343.515 3.106 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086734924 1359193338 /nfs/dbraw/zinc/19/33/38/1359193338.db2.gz YXPQRMVYIXLSLL-ZCNNSNEGSA-N 2 1 347.547 3.236 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942101 1359263585 /nfs/dbraw/zinc/26/35/85/1359263585.db2.gz IWXPVYMILKULLD-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC2(C[C@@H]1C)CC[NH+](C(C)C)CC2 ZINC001086946023 1359266978 /nfs/dbraw/zinc/26/69/78/1359266978.db2.gz ODORAQHTOVALLJ-KRWDZBQOSA-N 2 1 346.519 3.118 20 0 EGADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001087175220 1359313671 /nfs/dbraw/zinc/31/36/71/1359313671.db2.gz BPWZRCRWFURDQB-XLIONFOSSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087573159 1359538628 /nfs/dbraw/zinc/53/86/28/1359538628.db2.gz WGRUIDUKGJQKHV-YSIASYRMSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573159 1359538631 /nfs/dbraw/zinc/53/86/31/1359538631.db2.gz WGRUIDUKGJQKHV-YSIASYRMSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573159 1359538634 /nfs/dbraw/zinc/53/86/34/1359538634.db2.gz WGRUIDUKGJQKHV-YSIASYRMSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@@H+]1CC1CCCCCC1 ZINC001087659690 1359576318 /nfs/dbraw/zinc/57/63/18/1359576318.db2.gz VZWTYYOFATYQBG-RBUKOAKNSA-N 2 1 346.519 3.131 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@H+]1CC1CCCCCC1 ZINC001087659690 1359576322 /nfs/dbraw/zinc/57/63/22/1359576322.db2.gz VZWTYYOFATYQBG-RBUKOAKNSA-N 2 1 346.519 3.131 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CCC1CCCC1 ZINC001087684723 1359587937 /nfs/dbraw/zinc/58/79/37/1359587937.db2.gz KROGHNJYTKGSSU-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCC(C)C)[C@@H]2CC)C1 ZINC001087696807 1359596647 /nfs/dbraw/zinc/59/66/47/1359596647.db2.gz NUMHHMZXGNJBET-CEXWTWQISA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CCC(C)C)[C@@H]2CC)C1 ZINC001087696807 1359596651 /nfs/dbraw/zinc/59/66/51/1359596651.db2.gz NUMHHMZXGNJBET-CEXWTWQISA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC(C)C)[C@@H]2CC)C1 ZINC001087696807 1359596652 /nfs/dbraw/zinc/59/66/52/1359596652.db2.gz NUMHHMZXGNJBET-CEXWTWQISA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1CC1CCCCC1 ZINC001087726127 1359614527 /nfs/dbraw/zinc/61/45/27/1359614527.db2.gz RZHKLGANKDXMSJ-YTQUADARSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1CC1CCCCC1 ZINC001087726127 1359614520 /nfs/dbraw/zinc/61/45/20/1359614520.db2.gz RZHKLGANKDXMSJ-YTQUADARSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1CC1CCCCC1 ZINC001087726127 1359614524 /nfs/dbraw/zinc/61/45/24/1359614524.db2.gz RZHKLGANKDXMSJ-YTQUADARSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001087838883 1359672441 /nfs/dbraw/zinc/67/24/41/1359672441.db2.gz ZNJPYVKNNVIQPZ-LSTHTHJFSA-N 2 1 345.531 3.377 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001087963761 1359720376 /nfs/dbraw/zinc/72/03/76/1359720376.db2.gz GJKZMCTXVNJXLM-QYZOEREBSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001087963761 1359720384 /nfs/dbraw/zinc/72/03/84/1359720384.db2.gz GJKZMCTXVNJXLM-QYZOEREBSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001087963761 1359720387 /nfs/dbraw/zinc/72/03/87/1359720387.db2.gz GJKZMCTXVNJXLM-QYZOEREBSA-N 2 1 349.563 3.076 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001088212830 1359797849 /nfs/dbraw/zinc/79/78/49/1359797849.db2.gz SUCJRQOCIRVBBD-CEXWTWQISA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001088212830 1359797854 /nfs/dbraw/zinc/79/78/54/1359797854.db2.gz SUCJRQOCIRVBBD-CEXWTWQISA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001088212830 1359797856 /nfs/dbraw/zinc/79/78/56/1359797856.db2.gz SUCJRQOCIRVBBD-CEXWTWQISA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001088323515 1359830999 /nfs/dbraw/zinc/83/09/99/1359830999.db2.gz QXHRSOFJSKGVCX-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1 ZINC001088411743 1359883014 /nfs/dbraw/zinc/88/30/14/1359883014.db2.gz PADCZWZVPPVAJU-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCC3=CCCCC3)[C@@H]2C)CC[N@H+]1C ZINC001088579589 1359979182 /nfs/dbraw/zinc/97/91/82/1359979182.db2.gz QVECUNYCOUXEBJ-BTHPGYMESA-N 2 1 347.547 3.186 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCC3=CCCCC3)[C@@H]2C)CC[NH+]1C ZINC001088579589 1359979188 /nfs/dbraw/zinc/97/91/88/1359979188.db2.gz QVECUNYCOUXEBJ-BTHPGYMESA-N 2 1 347.547 3.186 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC3=CCCCC3)[C@@H]2C)CC[NH+]1C ZINC001088579589 1359979191 /nfs/dbraw/zinc/97/91/91/1359979191.db2.gz QVECUNYCOUXEBJ-BTHPGYMESA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCCCC3)[C@@H]2C)C1 ZINC001088616966 1359992241 /nfs/dbraw/zinc/99/22/41/1359992241.db2.gz SRAXVZKBKRUEQY-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CCCCC3)[C@@H]2C)C1 ZINC001088616966 1359992254 /nfs/dbraw/zinc/99/22/54/1359992254.db2.gz SRAXVZKBKRUEQY-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)[C@@H]2C)C1 ZINC001088616966 1359992255 /nfs/dbraw/zinc/99/22/55/1359992255.db2.gz SRAXVZKBKRUEQY-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622275 1359993262 /nfs/dbraw/zinc/99/32/62/1359993262.db2.gz OJHBLYQHXILUEZ-NZSAHSFTSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088622275 1359993264 /nfs/dbraw/zinc/99/32/64/1359993264.db2.gz OJHBLYQHXILUEZ-NZSAHSFTSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088622275 1359993268 /nfs/dbraw/zinc/99/32/68/1359993268.db2.gz OJHBLYQHXILUEZ-NZSAHSFTSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CCC1CCCCCC1 ZINC001088666513 1360007195 /nfs/dbraw/zinc/00/71/95/1360007195.db2.gz JKVQQMLQYPKKCX-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CCC1CCCCCC1 ZINC001088666513 1360007198 /nfs/dbraw/zinc/00/71/98/1360007198.db2.gz JKVQQMLQYPKKCX-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CCC1CCCCCC1 ZINC001088666513 1360007201 /nfs/dbraw/zinc/00/72/01/1360007201.db2.gz JKVQQMLQYPKKCX-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CCC1CCCCCC1 ZINC001088666513 1360007203 /nfs/dbraw/zinc/00/72/03/1360007203.db2.gz JKVQQMLQYPKKCX-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1CCCCC1 ZINC001088792550 1360046012 /nfs/dbraw/zinc/04/60/12/1360046012.db2.gz UGBMZBUDPHXCPB-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001088898819 1360098250 /nfs/dbraw/zinc/09/82/50/1360098250.db2.gz XMRBSWLNUHEKMQ-YZGWKJHDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1C ZINC001088898819 1360098253 /nfs/dbraw/zinc/09/82/53/1360098253.db2.gz XMRBSWLNUHEKMQ-YZGWKJHDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1C ZINC001088898819 1360098257 /nfs/dbraw/zinc/09/82/57/1360098257.db2.gz XMRBSWLNUHEKMQ-YZGWKJHDSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089401818 1360401154 /nfs/dbraw/zinc/40/11/54/1360401154.db2.gz XTAZSBNFTQNBSR-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC(C)(C)C1 ZINC001089401818 1360401156 /nfs/dbraw/zinc/40/11/56/1360401156.db2.gz XTAZSBNFTQNBSR-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1 ZINC001089401818 1360401157 /nfs/dbraw/zinc/40/11/57/1360401157.db2.gz XTAZSBNFTQNBSR-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC(C)(C)C1 ZINC001089426202 1360419199 /nfs/dbraw/zinc/41/91/99/1360419199.db2.gz IINGVZIKBTZKAY-INIZCTEOSA-N 2 1 342.487 3.273 20 0 EGADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1)[NH+]1CCCC1 ZINC001089459399 1360445764 /nfs/dbraw/zinc/44/57/64/1360445764.db2.gz VTJMNQHROUVTLN-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](C(C)C)CC(C)(C)C2)C1 ZINC001089473125 1360456401 /nfs/dbraw/zinc/45/64/01/1360456401.db2.gz SOCCBAPMVUZBCR-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](C(C)C)CC(C)(C)C2)C1 ZINC001089473125 1360456402 /nfs/dbraw/zinc/45/64/02/1360456402.db2.gz SOCCBAPMVUZBCR-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](C(C)C)CC(C)(C)C2)C1 ZINC001089473125 1360456403 /nfs/dbraw/zinc/45/64/03/1360456403.db2.gz SOCCBAPMVUZBCR-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CCC3)CC(C)(C)C2)CC[N@H+]1C ZINC001089477606 1360460132 /nfs/dbraw/zinc/46/01/32/1360460132.db2.gz OGQSCHPBCIULFO-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC3CCC3)CC(C)(C)C2)CC[NH+]1C ZINC001089477606 1360460133 /nfs/dbraw/zinc/46/01/33/1360460133.db2.gz OGQSCHPBCIULFO-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCC3)CC(C)(C)C2)CC[NH+]1C ZINC001089477606 1360460134 /nfs/dbraw/zinc/46/01/34/1360460134.db2.gz OGQSCHPBCIULFO-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C(C)C)CC(C)(C)C1 ZINC001089511165 1360482953 /nfs/dbraw/zinc/48/29/53/1360482953.db2.gz NBUADDVUZUUUGS-ROUUACIJSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](C(C)C)CC(C)(C)C1 ZINC001089511165 1360482955 /nfs/dbraw/zinc/48/29/55/1360482955.db2.gz NBUADDVUZUUUGS-ROUUACIJSA-N 2 1 337.552 3.265 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CC(C)(C)C1 ZINC001089616986 1360536922 /nfs/dbraw/zinc/53/69/22/1360536922.db2.gz QQPQIBLMGAPYRB-QZTJIDSGSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CC(C)(C)C1 ZINC001089616986 1360536926 /nfs/dbraw/zinc/53/69/26/1360536926.db2.gz QQPQIBLMGAPYRB-QZTJIDSGSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC(C)(C)C1 ZINC001089616986 1360536929 /nfs/dbraw/zinc/53/69/29/1360536929.db2.gz QQPQIBLMGAPYRB-QZTJIDSGSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC=C(C)C)CC[N@H+]1C ZINC001089642646 1360555049 /nfs/dbraw/zinc/55/50/49/1360555049.db2.gz OKXBSFUKCOGXLN-CEXWTWQISA-N 2 1 349.563 3.290 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC=C(C)C)CC[NH+]1C ZINC001089642646 1360555052 /nfs/dbraw/zinc/55/50/52/1360555052.db2.gz OKXBSFUKCOGXLN-CEXWTWQISA-N 2 1 349.563 3.290 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC=C(C)C)CC[NH+]1C ZINC001089642646 1360555055 /nfs/dbraw/zinc/55/50/55/1360555055.db2.gz OKXBSFUKCOGXLN-CEXWTWQISA-N 2 1 349.563 3.290 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CCC2CC2)CC[N@H+]1C ZINC001089643541 1360556231 /nfs/dbraw/zinc/55/62/31/1360556231.db2.gz XNJDCYJMZKNAPT-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CCC2CC2)CC[NH+]1C ZINC001089643541 1360556233 /nfs/dbraw/zinc/55/62/33/1360556233.db2.gz XNJDCYJMZKNAPT-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CCC2CC2)CC[NH+]1C ZINC001089643541 1360556236 /nfs/dbraw/zinc/55/62/36/1360556236.db2.gz XNJDCYJMZKNAPT-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089661443 1360572733 /nfs/dbraw/zinc/57/27/33/1360572733.db2.gz XBLNUZJAFAKPAH-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089661443 1360572736 /nfs/dbraw/zinc/57/27/36/1360572736.db2.gz XBLNUZJAFAKPAH-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001089661443 1360572737 /nfs/dbraw/zinc/57/27/37/1360572737.db2.gz XBLNUZJAFAKPAH-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001089661443 1360572738 /nfs/dbraw/zinc/57/27/38/1360572738.db2.gz XBLNUZJAFAKPAH-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001089684182 1360589801 /nfs/dbraw/zinc/58/98/01/1360589801.db2.gz NINKUNUGZFBJTI-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CCC)C1 ZINC001089684182 1360589804 /nfs/dbraw/zinc/58/98/04/1360589804.db2.gz NINKUNUGZFBJTI-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CCC)C1 ZINC001089684182 1360589806 /nfs/dbraw/zinc/58/98/06/1360589806.db2.gz NINKUNUGZFBJTI-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP O=C(NCC1CC([NH2+]CC2CCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001091068435 1360988699 /nfs/dbraw/zinc/98/86/99/1360988699.db2.gz NPRFEDJDHWQZON-QLOJAFMTSA-N 2 1 347.547 3.068 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1)C1CCCCC1 ZINC001184609689 1387500078 /nfs/dbraw/zinc/50/00/78/1387500078.db2.gz UCZPQBWUXRQBDP-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001092658337 1361434272 /nfs/dbraw/zinc/43/42/72/1361434272.db2.gz QANDEGMDYCZKDB-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C ZINC001092658337 1361434274 /nfs/dbraw/zinc/43/42/74/1361434274.db2.gz QANDEGMDYCZKDB-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C ZINC001092658337 1361434277 /nfs/dbraw/zinc/43/42/77/1361434277.db2.gz QANDEGMDYCZKDB-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056849 1361517520 /nfs/dbraw/zinc/51/75/20/1361517520.db2.gz SBXOUOZLXDLZGZ-YLJYHZDGSA-N 2 1 345.531 3.092 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCCC1)CC2 ZINC001094380072 1361779791 /nfs/dbraw/zinc/77/97/91/1361779791.db2.gz LGLYRASIWPOZMD-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCCC1)CC2 ZINC001094380072 1361779795 /nfs/dbraw/zinc/77/97/95/1361779795.db2.gz LGLYRASIWPOZMD-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCCC1)CC2 ZINC001094380072 1361779796 /nfs/dbraw/zinc/77/97/96/1361779796.db2.gz LGLYRASIWPOZMD-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001094503779 1361833320 /nfs/dbraw/zinc/83/33/20/1361833320.db2.gz SMPLXSXSFZINRI-TZIWHRDSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC001324102420 1387542981 /nfs/dbraw/zinc/54/29/81/1387542981.db2.gz WZCDSZQFBBSVFV-BHIYHBOVSA-N 2 1 331.504 3.059 20 0 EGADMP CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184891400 1387555993 /nfs/dbraw/zinc/55/59/93/1387555993.db2.gz FVUBPQXADHGKFN-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001095668407 1362198835 /nfs/dbraw/zinc/19/88/35/1362198835.db2.gz OLYVFUJPLGZARC-YDZRNGNQSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001095668407 1362198837 /nfs/dbraw/zinc/19/88/37/1362198837.db2.gz OLYVFUJPLGZARC-YDZRNGNQSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001095668407 1362198838 /nfs/dbraw/zinc/19/88/38/1362198838.db2.gz OLYVFUJPLGZARC-YDZRNGNQSA-N 2 1 349.563 3.265 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCC2)CC1 ZINC001096237302 1362447619 /nfs/dbraw/zinc/44/76/19/1362447619.db2.gz CDKAAMIXXLVGDP-AABGKKOBSA-N 2 1 347.547 3.020 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001097343050 1362944013 /nfs/dbraw/zinc/94/40/13/1362944013.db2.gz FLXCHXUQZCATQV-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001097343050 1362944017 /nfs/dbraw/zinc/94/40/17/1362944017.db2.gz FLXCHXUQZCATQV-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001097343050 1362944018 /nfs/dbraw/zinc/94/40/18/1362944018.db2.gz FLXCHXUQZCATQV-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001097343050 1362944020 /nfs/dbraw/zinc/94/40/20/1362944020.db2.gz FLXCHXUQZCATQV-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001097971860 1363184284 /nfs/dbraw/zinc/18/42/84/1363184284.db2.gz JVVZCTJQMGUXRQ-NBYUQASBSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(C)(C)C)CC1 ZINC001098137760 1363231036 /nfs/dbraw/zinc/23/10/36/1363231036.db2.gz VVWBWYRJJAXEAE-QRVBRYPASA-N 2 1 349.563 3.265 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001098463655 1363333530 /nfs/dbraw/zinc/33/35/30/1363333530.db2.gz AJFLDDPABSIFKE-BDXSIMOUSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001098463655 1363333534 /nfs/dbraw/zinc/33/35/34/1363333534.db2.gz AJFLDDPABSIFKE-BDXSIMOUSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001098463655 1363333538 /nfs/dbraw/zinc/33/35/38/1363333538.db2.gz AJFLDDPABSIFKE-BDXSIMOUSA-N 2 1 335.536 3.019 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001098976536 1363551717 /nfs/dbraw/zinc/55/17/17/1363551717.db2.gz UZCGEMNRBOSTEE-XXCOWLKOSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001098976536 1363551723 /nfs/dbraw/zinc/55/17/23/1363551723.db2.gz UZCGEMNRBOSTEE-XXCOWLKOSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001098976536 1363551728 /nfs/dbraw/zinc/55/17/28/1363551728.db2.gz UZCGEMNRBOSTEE-XXCOWLKOSA-N 2 1 335.536 3.044 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099111279 1363629707 /nfs/dbraw/zinc/62/97/07/1363629707.db2.gz XCUQIHCFCOSSAV-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099111279 1363629709 /nfs/dbraw/zinc/62/97/09/1363629709.db2.gz XCUQIHCFCOSSAV-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001099111279 1363629713 /nfs/dbraw/zinc/62/97/13/1363629713.db2.gz XCUQIHCFCOSSAV-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099139575 1363648735 /nfs/dbraw/zinc/64/87/35/1363648735.db2.gz CAAOEEAPIKJQDB-DKFQHHCZSA-N 2 1 346.519 3.155 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099139575 1363648739 /nfs/dbraw/zinc/64/87/39/1363648739.db2.gz CAAOEEAPIKJQDB-DKFQHHCZSA-N 2 1 346.519 3.155 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099230046 1363703139 /nfs/dbraw/zinc/70/31/39/1363703139.db2.gz PWUNYZXZHFJBCE-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001099235147 1363706330 /nfs/dbraw/zinc/70/63/30/1363706330.db2.gz PPLWIJWMCMDWGK-MSOLQXFVSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1=CCCCC1 ZINC001099354010 1363768245 /nfs/dbraw/zinc/76/82/45/1363768245.db2.gz LSTRBBWZCGIYEY-IBGZPJMESA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1=CCCCC1 ZINC001099354010 1363768248 /nfs/dbraw/zinc/76/82/48/1363768248.db2.gz LSTRBBWZCGIYEY-IBGZPJMESA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1=CCCCC1 ZINC001099354010 1363768250 /nfs/dbraw/zinc/76/82/50/1363768250.db2.gz LSTRBBWZCGIYEY-IBGZPJMESA-N 2 1 349.563 3.434 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099548177 1363841907 /nfs/dbraw/zinc/84/19/07/1363841907.db2.gz QZBOQGNEWGYLCV-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1CC([NH2+]CC(CC)CC)C1 ZINC001100345943 1364086917 /nfs/dbraw/zinc/08/69/17/1364086917.db2.gz HWCAKWVIVNARRA-ZLPCBKJTSA-N 2 1 348.535 3.317 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001100419615 1364108312 /nfs/dbraw/zinc/10/83/12/1364108312.db2.gz ZRHANSGTJPFQKA-MHJFOBGBSA-N 2 1 349.563 3.316 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001100419533 1364108511 /nfs/dbraw/zinc/10/85/11/1364108511.db2.gz WINVFHHQKZAWLJ-BKBBAENRSA-N 2 1 335.536 3.092 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001100456937 1364120623 /nfs/dbraw/zinc/12/06/23/1364120623.db2.gz JLAIDRCYMHOJIK-UHFFFAOYSA-N 2 1 345.531 3.018 20 0 EGADMP CCCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001324555677 1387670462 /nfs/dbraw/zinc/67/04/62/1387670462.db2.gz BMNFPQJYFPIDAG-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001324555677 1387670466 /nfs/dbraw/zinc/67/04/66/1387670466.db2.gz BMNFPQJYFPIDAG-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001324555677 1387670468 /nfs/dbraw/zinc/67/04/68/1387670468.db2.gz BMNFPQJYFPIDAG-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001100904972 1364324588 /nfs/dbraw/zinc/32/45/88/1364324588.db2.gz PWXNLVCQBLHKGD-LMDPOFIKSA-N 2 1 345.531 3.191 20 0 EGADMP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001101551686 1364614217 /nfs/dbraw/zinc/61/42/17/1364614217.db2.gz WIEYEFRJQOEYSL-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001102104267 1364858841 /nfs/dbraw/zinc/85/88/41/1364858841.db2.gz NJGBJIFIRVHXAM-IEBWSBKVSA-N 2 1 349.563 3.291 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C ZINC001102104267 1364858843 /nfs/dbraw/zinc/85/88/43/1364858843.db2.gz NJGBJIFIRVHXAM-IEBWSBKVSA-N 2 1 349.563 3.291 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C ZINC001102104267 1364858845 /nfs/dbraw/zinc/85/88/45/1364858845.db2.gz NJGBJIFIRVHXAM-IEBWSBKVSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357617 1365021039 /nfs/dbraw/zinc/02/10/39/1365021039.db2.gz CDWGPXTTXZHRJW-QRVBRYPASA-N 2 1 339.568 3.371 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102466472 1365071396 /nfs/dbraw/zinc/07/13/96/1365071396.db2.gz OKWJRJLGLRUPAD-ZMGAVLDPSA-N 2 1 346.519 3.012 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102466472 1365071398 /nfs/dbraw/zinc/07/13/98/1365071398.db2.gz OKWJRJLGLRUPAD-ZMGAVLDPSA-N 2 1 346.519 3.012 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H](C)CC)C[C@H]1C ZINC001102472341 1365074773 /nfs/dbraw/zinc/07/47/73/1365074773.db2.gz WTZOQDFOMAYKKH-IPMKNSEASA-N 2 1 339.568 3.229 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)CC)C[C@H]1C ZINC001102472341 1365074776 /nfs/dbraw/zinc/07/47/76/1365074776.db2.gz WTZOQDFOMAYKKH-IPMKNSEASA-N 2 1 339.568 3.229 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)CC)C[C@H]1C ZINC001102472341 1365074778 /nfs/dbraw/zinc/07/47/78/1365074778.db2.gz WTZOQDFOMAYKKH-IPMKNSEASA-N 2 1 339.568 3.229 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102600047 1365131343 /nfs/dbraw/zinc/13/13/43/1365131343.db2.gz JMGOIUCWVUZUTJ-RLLQIKCJSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102600047 1365131344 /nfs/dbraw/zinc/13/13/44/1365131344.db2.gz JMGOIUCWVUZUTJ-RLLQIKCJSA-N 2 1 345.531 3.020 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103083881 1365371718 /nfs/dbraw/zinc/37/17/18/1365371718.db2.gz NOQQTIRQLXNKLY-YZBXUTEPSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103434947 1365558197 /nfs/dbraw/zinc/55/81/97/1365558197.db2.gz GEORBOGHEOGMEF-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001103434947 1365558202 /nfs/dbraw/zinc/55/82/02/1365558202.db2.gz GEORBOGHEOGMEF-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001103434947 1365558203 /nfs/dbraw/zinc/55/82/03/1365558203.db2.gz GEORBOGHEOGMEF-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103444958 1365564293 /nfs/dbraw/zinc/56/42/93/1365564293.db2.gz RISFRHLXALOYCJ-QHSFFJGXSA-N 2 1 337.552 3.147 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCC2)C1 ZINC001104290869 1365977863 /nfs/dbraw/zinc/97/78/63/1365977863.db2.gz GUMLUQZFMIOTJL-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(C)cc2)C1 ZINC001324817220 1387782582 /nfs/dbraw/zinc/78/25/82/1387782582.db2.gz DTWIDTSZIHORJJ-OAQYLSRUSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104579870 1366085130 /nfs/dbraw/zinc/08/51/30/1366085130.db2.gz RJDRLJRLNZGECW-GGPKGHCWSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001185763525 1387793179 /nfs/dbraw/zinc/79/31/79/1387793179.db2.gz SQAHNGPOMVDMRQ-MSOLQXFVSA-N 2 1 339.568 3.227 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](C)CC(C)C)C1 ZINC001104874245 1366206161 /nfs/dbraw/zinc/20/61/61/1366206161.db2.gz QLLMNPDFLRRDBW-GUDVDZBRSA-N 2 1 339.568 3.085 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001105066895 1366304327 /nfs/dbraw/zinc/30/43/27/1366304327.db2.gz FTQSGTUGQLCODM-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2C2(C[NH2+]CC)CCC2)C1 ZINC001105556949 1366529732 /nfs/dbraw/zinc/52/97/32/1366529732.db2.gz TUTHJWDSHNLIGD-MOPGFXCFSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105562140 1366531584 /nfs/dbraw/zinc/53/15/84/1366531584.db2.gz XGHWWXSWURDZLL-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2C)CCC1 ZINC001105568308 1366536270 /nfs/dbraw/zinc/53/62/70/1366536270.db2.gz LAVDMSHATXMWHJ-SFHVURJKSA-N 2 1 346.519 3.133 20 0 EGADMP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105575265 1366540705 /nfs/dbraw/zinc/54/07/05/1366540705.db2.gz WUDXTMJEGSXFFM-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105577309 1366541290 /nfs/dbraw/zinc/54/12/90/1366541290.db2.gz UFHVLPZLUHRABI-RBUKOAKNSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)CCC1 ZINC001105577723 1366542013 /nfs/dbraw/zinc/54/20/13/1366542013.db2.gz YVYZTYNCCMXUTH-GOSISDBHSA-N 2 1 346.519 3.133 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106274579 1366640638 /nfs/dbraw/zinc/64/06/38/1366640638.db2.gz LPRLKJFRXIKSKJ-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001107036875 1366862659 /nfs/dbraw/zinc/86/26/59/1366862659.db2.gz UMXUFDFDJILULA-ODWICZQRSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCCC1)CC2)[NH+](C)C ZINC001107450103 1366967896 /nfs/dbraw/zinc/96/78/96/1366967896.db2.gz CDTLWQROTAYSPH-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107450854 1366968690 /nfs/dbraw/zinc/96/86/90/1366968690.db2.gz OGVQGLJLVDCOQM-QWFCFKBJSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001107450854 1366968693 /nfs/dbraw/zinc/96/86/93/1366968693.db2.gz OGVQGLJLVDCOQM-QWFCFKBJSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001107450854 1366968694 /nfs/dbraw/zinc/96/86/94/1366968694.db2.gz OGVQGLJLVDCOQM-QWFCFKBJSA-N 2 1 335.536 3.022 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189311831 1366985499 /nfs/dbraw/zinc/98/54/99/1366985499.db2.gz NIKVKGCJGDSJFY-ODNCXDDGSA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107598748 1367064787 /nfs/dbraw/zinc/06/47/87/1367064787.db2.gz VKAOKRKNZJFBBV-WKQNUPFUSA-N 2 1 349.563 3.435 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001107598748 1367064792 /nfs/dbraw/zinc/06/47/92/1367064792.db2.gz VKAOKRKNZJFBBV-WKQNUPFUSA-N 2 1 349.563 3.435 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001107598748 1367064796 /nfs/dbraw/zinc/06/47/96/1367064796.db2.gz VKAOKRKNZJFBBV-WKQNUPFUSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1=CCCCC1)CC2 ZINC001107614450 1367074097 /nfs/dbraw/zinc/07/40/97/1367074097.db2.gz BQFPCHJCOGDZMM-TZIWHRDSSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1=CCCCC1)CC2 ZINC001107614450 1367074102 /nfs/dbraw/zinc/07/41/02/1367074102.db2.gz BQFPCHJCOGDZMM-TZIWHRDSSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1=CCCCC1)CC2 ZINC001107614450 1367074106 /nfs/dbraw/zinc/07/41/06/1367074106.db2.gz BQFPCHJCOGDZMM-TZIWHRDSSA-N 2 1 347.547 3.189 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001109371392 1367091188 /nfs/dbraw/zinc/09/11/88/1367091188.db2.gz BGFZIEBSKOJVBL-ZVFVRTEYSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001109371392 1367091199 /nfs/dbraw/zinc/09/11/99/1367091199.db2.gz BGFZIEBSKOJVBL-ZVFVRTEYSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001109371392 1367091206 /nfs/dbraw/zinc/09/12/06/1367091206.db2.gz BGFZIEBSKOJVBL-ZVFVRTEYSA-N 2 1 347.547 3.329 20 0 EGADMP CC1CCC(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2([NH+](C)C)CCC2)C3)CC1 ZINC001109403428 1367106338 /nfs/dbraw/zinc/10/63/38/1367106338.db2.gz GPUKBOSMDKAHLQ-GXZRBYELSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1)[NH+](C)C ZINC001109428025 1367116288 /nfs/dbraw/zinc/11/62/88/1367116288.db2.gz IVPSCZKIGZCJBU-FYQPLNBISA-N 2 1 349.563 3.265 20 0 EGADMP C[N@@H+](CCC(C)(C)C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190179200 1367193672 /nfs/dbraw/zinc/19/36/72/1367193672.db2.gz ZRTXKMGQTIURHX-QGZVFWFLSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560846 1367198656 /nfs/dbraw/zinc/19/86/56/1367198656.db2.gz URDLVOLPYTZIOC-YRXWBPOGSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001190246934 1367208101 /nfs/dbraw/zinc/20/81/01/1367208101.db2.gz HWFDHUOVAQBDTH-IAGOWNOFSA-N 2 1 334.508 3.120 20 0 EGADMP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190246934 1367208106 /nfs/dbraw/zinc/20/81/06/1367208106.db2.gz HWFDHUOVAQBDTH-IAGOWNOFSA-N 2 1 334.508 3.120 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190246934 1367208110 /nfs/dbraw/zinc/20/81/10/1367208110.db2.gz HWFDHUOVAQBDTH-IAGOWNOFSA-N 2 1 334.508 3.120 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656938 1367320180 /nfs/dbraw/zinc/32/01/80/1367320180.db2.gz YDCILWQWCGIPJT-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190656938 1367320184 /nfs/dbraw/zinc/32/01/84/1367320184.db2.gz YDCILWQWCGIPJT-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190656938 1367320188 /nfs/dbraw/zinc/32/01/88/1367320188.db2.gz YDCILWQWCGIPJT-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109800718 1367329048 /nfs/dbraw/zinc/32/90/48/1367329048.db2.gz NXJVGGLXCOQAHA-SQNIBIBYSA-N 2 1 346.519 3.308 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109800718 1367329050 /nfs/dbraw/zinc/32/90/50/1367329050.db2.gz NXJVGGLXCOQAHA-SQNIBIBYSA-N 2 1 346.519 3.308 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C1)[NH+](C)C ZINC001190777869 1367348607 /nfs/dbraw/zinc/34/86/07/1367348607.db2.gz XGAGMFRTCHFBEY-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109879644 1367379284 /nfs/dbraw/zinc/37/92/84/1367379284.db2.gz FGGDKTJZJLGHCC-ZOYAEOFMSA-N 2 1 347.547 3.186 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001190997177 1367399004 /nfs/dbraw/zinc/39/90/04/1367399004.db2.gz RTNICNDGIWUMOM-YJBOKZPZSA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001190997177 1367399007 /nfs/dbraw/zinc/39/90/07/1367399007.db2.gz RTNICNDGIWUMOM-YJBOKZPZSA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001190997177 1367399010 /nfs/dbraw/zinc/39/90/10/1367399010.db2.gz RTNICNDGIWUMOM-YJBOKZPZSA-N 2 1 349.494 3.150 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162218 1367436851 /nfs/dbraw/zinc/43/68/51/1367436851.db2.gz NAIWUUQHBGPZGM-OOFWQKGWSA-N 2 1 340.471 3.227 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCCC1 ZINC001110020928 1367460929 /nfs/dbraw/zinc/46/09/29/1367460929.db2.gz OYNMVQCRQKMCKW-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCCC1 ZINC001110020928 1367460930 /nfs/dbraw/zinc/46/09/30/1367460930.db2.gz OYNMVQCRQKMCKW-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCCC1 ZINC001110020928 1367460934 /nfs/dbraw/zinc/46/09/34/1367460934.db2.gz OYNMVQCRQKMCKW-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110114796 1367507969 /nfs/dbraw/zinc/50/79/69/1367507969.db2.gz HFUZBGUEXYECFR-QYZOEREBSA-N 2 1 335.536 3.164 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191506602 1367515994 /nfs/dbraw/zinc/51/59/94/1367515994.db2.gz ADJRWOCUYGJWPT-XSXCZSQGSA-N 2 1 347.547 3.140 20 0 EGADMP CC1(C)CC(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCCCC2)C3)C1 ZINC001110153579 1367527735 /nfs/dbraw/zinc/52/77/35/1367527735.db2.gz BDNNVYZKOMRZCO-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110158221 1367530633 /nfs/dbraw/zinc/53/06/33/1367530633.db2.gz IBUMTCVBAOQFMO-WCIQWLHISA-N 2 1 343.515 3.199 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110158221 1367530639 /nfs/dbraw/zinc/53/06/39/1367530639.db2.gz IBUMTCVBAOQFMO-WCIQWLHISA-N 2 1 343.515 3.199 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110158221 1367530641 /nfs/dbraw/zinc/53/06/41/1367530641.db2.gz IBUMTCVBAOQFMO-WCIQWLHISA-N 2 1 343.515 3.199 20 0 EGADMP CC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CCC)C2 ZINC001108804023 1367606299 /nfs/dbraw/zinc/60/62/99/1367606299.db2.gz JBAGBERUWXLRFN-NEPBSLMDSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001192038411 1367671552 /nfs/dbraw/zinc/67/15/52/1367671552.db2.gz PVVLXUUMYBGFTL-HXUWFJFHSA-N 2 1 345.531 3.185 20 0 EGADMP CC(C)c1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192046677 1367674391 /nfs/dbraw/zinc/67/43/91/1367674391.db2.gz OKKKQTSSPPIYBU-LJQANCHMSA-N 2 1 345.531 3.185 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCCC(C)C)C1)[NH+](CC)CC ZINC001192326883 1367753444 /nfs/dbraw/zinc/75/34/44/1367753444.db2.gz UOHZPVQDLWBHLQ-ZWKOTPCHSA-N 2 1 325.541 3.076 20 0 EGADMP C[NH+](CCC1=CCCCC1)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192406133 1367775049 /nfs/dbraw/zinc/77/50/49/1367775049.db2.gz BLWYJDGGWQJHBW-LJQANCHMSA-N 2 1 349.563 3.388 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@H]([N@H+](C)CCC2=CCCCC2)C1)CC(C)(C)C ZINC001192406133 1367775051 /nfs/dbraw/zinc/77/50/51/1367775051.db2.gz BLWYJDGGWQJHBW-LJQANCHMSA-N 2 1 349.563 3.388 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1)CC(C)(C)C ZINC001192406133 1367775056 /nfs/dbraw/zinc/77/50/56/1367775056.db2.gz BLWYJDGGWQJHBW-LJQANCHMSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCC(C)(C)C)C1 ZINC001192672625 1367847353 /nfs/dbraw/zinc/84/73/53/1367847353.db2.gz WDERMLBRJXQNSQ-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001192672625 1367847358 /nfs/dbraw/zinc/84/73/58/1367847358.db2.gz WDERMLBRJXQNSQ-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001192672625 1367847362 /nfs/dbraw/zinc/84/73/62/1367847362.db2.gz WDERMLBRJXQNSQ-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC001192857959 1367890063 /nfs/dbraw/zinc/89/00/63/1367890063.db2.gz MXYWXEUFNNFMCH-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001192857959 1367890068 /nfs/dbraw/zinc/89/00/68/1367890068.db2.gz MXYWXEUFNNFMCH-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)C(C)C ZINC001192916670 1367903735 /nfs/dbraw/zinc/90/37/35/1367903735.db2.gz BLGPQEBYDJTTSI-UXHICEINSA-N 2 1 345.531 3.086 20 0 EGADMP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001110662656 1367904451 /nfs/dbraw/zinc/90/44/51/1367904451.db2.gz PODPNBROKOFYGD-BDXSIMOUSA-N 2 1 344.503 3.062 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001110662656 1367904455 /nfs/dbraw/zinc/90/44/55/1367904455.db2.gz PODPNBROKOFYGD-BDXSIMOUSA-N 2 1 344.503 3.062 20 0 EGADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1csc(C)c1 ZINC001110738777 1367955606 /nfs/dbraw/zinc/95/56/06/1367955606.db2.gz SYWAKLKNTQWLAD-ZACQAIPSSA-N 2 1 349.544 3.008 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1csc(C)c1 ZINC001110738777 1367955608 /nfs/dbraw/zinc/95/56/08/1367955608.db2.gz SYWAKLKNTQWLAD-ZACQAIPSSA-N 2 1 349.544 3.008 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1csc(C)c1 ZINC001110738777 1367955609 /nfs/dbraw/zinc/95/56/09/1367955609.db2.gz SYWAKLKNTQWLAD-ZACQAIPSSA-N 2 1 349.544 3.008 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1csc(C)c1 ZINC001110738777 1367955610 /nfs/dbraw/zinc/95/56/10/1367955610.db2.gz SYWAKLKNTQWLAD-ZACQAIPSSA-N 2 1 349.544 3.008 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193279987 1367987957 /nfs/dbraw/zinc/98/79/57/1367987957.db2.gz SDUURUBPXONGRI-OALUTQOASA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193279987 1367987962 /nfs/dbraw/zinc/98/79/62/1367987962.db2.gz SDUURUBPXONGRI-OALUTQOASA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193279987 1367987966 /nfs/dbraw/zinc/98/79/66/1367987966.db2.gz SDUURUBPXONGRI-OALUTQOASA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@@H]([NH+](C)CCC(C)C)C1)c1ccccc1 ZINC001193424779 1368026577 /nfs/dbraw/zinc/02/65/77/1368026577.db2.gz PANSZXRUITVANR-WOJBJXKFSA-N 2 1 345.531 3.258 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCC(C)C)C1)c1ccccc1 ZINC001193424779 1368026580 /nfs/dbraw/zinc/02/65/80/1368026580.db2.gz PANSZXRUITVANR-WOJBJXKFSA-N 2 1 345.531 3.258 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)C)C1)c1ccccc1 ZINC001193424779 1368026584 /nfs/dbraw/zinc/02/65/84/1368026584.db2.gz PANSZXRUITVANR-WOJBJXKFSA-N 2 1 345.531 3.258 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@@H]([NH+](C)CCC(C)C)C1)c1ccccc1 ZINC001193424777 1368026696 /nfs/dbraw/zinc/02/66/96/1368026696.db2.gz PANSZXRUITVANR-UXHICEINSA-N 2 1 345.531 3.258 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCC(C)C)C1)c1ccccc1 ZINC001193424777 1368026702 /nfs/dbraw/zinc/02/67/02/1368026702.db2.gz PANSZXRUITVANR-UXHICEINSA-N 2 1 345.531 3.258 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)C)C1)c1ccccc1 ZINC001193424777 1368026707 /nfs/dbraw/zinc/02/67/07/1368026707.db2.gz PANSZXRUITVANR-UXHICEINSA-N 2 1 345.531 3.258 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862563 1368041604 /nfs/dbraw/zinc/04/16/04/1368041604.db2.gz WXIUAKOBBGXBGX-MLHJIOFPSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193561495 1368062260 /nfs/dbraw/zinc/06/22/60/1368062260.db2.gz ZODXHFHCYHIHSL-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H](c1ccccc1Cl)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979807 1368131545 /nfs/dbraw/zinc/13/15/45/1368131545.db2.gz DVUZJMRSKZKEMV-DTDBQYNISA-N 2 1 349.906 3.074 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1)[NH+](CC)CC ZINC001111018360 1368143614 /nfs/dbraw/zinc/14/36/14/1368143614.db2.gz RWJLQSSSRKAHNN-WTGUMLROSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH]cn1)C2 ZINC001111125803 1368161938 /nfs/dbraw/zinc/16/19/38/1368161938.db2.gz NDSLUUWPVIJMBK-FGSRJLNGSA-N 2 1 344.503 3.056 20 0 EGADMP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)C2 ZINC001111125803 1368161940 /nfs/dbraw/zinc/16/19/40/1368161940.db2.gz NDSLUUWPVIJMBK-FGSRJLNGSA-N 2 1 344.503 3.056 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)C2 ZINC001111125803 1368161944 /nfs/dbraw/zinc/16/19/44/1368161944.db2.gz NDSLUUWPVIJMBK-FGSRJLNGSA-N 2 1 344.503 3.056 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC(C)(C)CC1 ZINC001111169585 1368179951 /nfs/dbraw/zinc/17/99/51/1368179951.db2.gz ZTBFTYQPOPIREB-QRVBRYPASA-N 2 1 349.563 3.266 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227263 1368213298 /nfs/dbraw/zinc/21/32/98/1368213298.db2.gz IUGMPLWDDDNOJD-HXUWFJFHSA-N 2 1 345.531 3.475 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245531 1368216475 /nfs/dbraw/zinc/21/64/75/1368216475.db2.gz BVNKFMFDJPZSQM-ZMBJWTFHSA-N 2 1 335.536 3.142 20 0 EGADMP CCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274518 1368221285 /nfs/dbraw/zinc/22/12/85/1368221285.db2.gz JANPRMNCSCMDBZ-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274518 1368221289 /nfs/dbraw/zinc/22/12/89/1368221289.db2.gz JANPRMNCSCMDBZ-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194274180 1368221512 /nfs/dbraw/zinc/22/15/12/1368221512.db2.gz DIIXCWIIPKGFMX-KJYWSYJISA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275722 1368223020 /nfs/dbraw/zinc/22/30/20/1368223020.db2.gz XMJAKSMETXHZGS-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194296255 1368225880 /nfs/dbraw/zinc/22/58/80/1368225880.db2.gz YRACARQBAZDBCJ-RTBURBONSA-N 2 1 331.504 3.011 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194296255 1368225881 /nfs/dbraw/zinc/22/58/81/1368225881.db2.gz YRACARQBAZDBCJ-RTBURBONSA-N 2 1 331.504 3.011 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194296255 1368225883 /nfs/dbraw/zinc/22/58/83/1368225883.db2.gz YRACARQBAZDBCJ-RTBURBONSA-N 2 1 331.504 3.011 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CCC[N@H+](C)C2)c1 ZINC001186360449 1387928979 /nfs/dbraw/zinc/92/89/79/1387928979.db2.gz NKUHXKFNFLVMNK-KRWDZBQOSA-N 2 1 340.471 3.335 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](C)C2)c1 ZINC001186360449 1387928982 /nfs/dbraw/zinc/92/89/82/1387928982.db2.gz NKUHXKFNFLVMNK-KRWDZBQOSA-N 2 1 340.471 3.335 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194430061 1368260414 /nfs/dbraw/zinc/26/04/14/1368260414.db2.gz RCVJKWDLBHIJSA-PXPVJAHISA-N 2 1 335.536 3.142 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1cccc(C)c1 ZINC001111312576 1368263306 /nfs/dbraw/zinc/26/33/06/1368263306.db2.gz NYLPFNUJGNYRLL-AFYVEPGGSA-N 2 1 343.515 3.119 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1cccc(C)c1 ZINC001111312576 1368263309 /nfs/dbraw/zinc/26/33/09/1368263309.db2.gz NYLPFNUJGNYRLL-AFYVEPGGSA-N 2 1 343.515 3.119 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1cccc(C)c1 ZINC001111312576 1368263311 /nfs/dbraw/zinc/26/33/11/1368263311.db2.gz NYLPFNUJGNYRLL-AFYVEPGGSA-N 2 1 343.515 3.119 20 0 EGADMP CC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449139 1368264473 /nfs/dbraw/zinc/26/44/73/1368264473.db2.gz PVTRUTYCEALTAT-PRPIBZDOSA-N 2 1 343.515 3.007 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449139 1368264477 /nfs/dbraw/zinc/26/44/77/1368264477.db2.gz PVTRUTYCEALTAT-PRPIBZDOSA-N 2 1 343.515 3.007 20 0 EGADMP CC/C=C\CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194449139 1368264482 /nfs/dbraw/zinc/26/44/82/1368264482.db2.gz PVTRUTYCEALTAT-PRPIBZDOSA-N 2 1 343.515 3.007 20 0 EGADMP CC/C=C\CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194449139 1368264491 /nfs/dbraw/zinc/26/44/91/1368264491.db2.gz PVTRUTYCEALTAT-PRPIBZDOSA-N 2 1 343.515 3.007 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454049 1368310536 /nfs/dbraw/zinc/31/05/36/1368310536.db2.gz ISYBUCGRJFFJCA-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111498468 1368321300 /nfs/dbraw/zinc/32/13/00/1368321300.db2.gz XLRYDYCGSZFRLO-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001186421086 1387939035 /nfs/dbraw/zinc/93/90/35/1387939035.db2.gz XYKVOUPXFIOESU-RTBURBONSA-N 2 1 339.568 3.371 20 0 EGADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC(C)(C)C)C2)[NH+](C)C ZINC001111788604 1368462813 /nfs/dbraw/zinc/46/28/13/1368462813.db2.gz HXPNMKNGNORKFR-QKLQHJQFSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001111835231 1368489998 /nfs/dbraw/zinc/48/99/98/1368489998.db2.gz BVAXQEZVFBDLBJ-BJLQDIEVSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001111835231 1368490000 /nfs/dbraw/zinc/49/00/00/1368490000.db2.gz BVAXQEZVFBDLBJ-BJLQDIEVSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001111835231 1368490003 /nfs/dbraw/zinc/49/00/03/1368490003.db2.gz BVAXQEZVFBDLBJ-BJLQDIEVSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001111835231 1368490004 /nfs/dbraw/zinc/49/00/04/1368490004.db2.gz BVAXQEZVFBDLBJ-BJLQDIEVSA-N 2 1 335.536 3.022 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001195853083 1368504215 /nfs/dbraw/zinc/50/42/15/1368504215.db2.gz GSBPWNRKACDPIH-TZFVZSICSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001195853083 1368504220 /nfs/dbraw/zinc/50/42/20/1368504220.db2.gz GSBPWNRKACDPIH-TZFVZSICSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001195853083 1368504221 /nfs/dbraw/zinc/50/42/21/1368504221.db2.gz GSBPWNRKACDPIH-TZFVZSICSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001195865424 1368506089 /nfs/dbraw/zinc/50/60/89/1368506089.db2.gz KFEOIBMVVKQZTR-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001195865424 1368506090 /nfs/dbraw/zinc/50/60/90/1368506090.db2.gz KFEOIBMVVKQZTR-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001195865424 1368506092 /nfs/dbraw/zinc/50/60/92/1368506092.db2.gz KFEOIBMVVKQZTR-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001111868529 1368516056 /nfs/dbraw/zinc/51/60/56/1368516056.db2.gz BIQMLBBUHPLJHD-RKBUJLEISA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001111891284 1368536820 /nfs/dbraw/zinc/53/68/20/1368536820.db2.gz JQGHJEPASLGIIU-CFQKCQFKSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C/CC[N@@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001196018030 1368537220 /nfs/dbraw/zinc/53/72/20/1368537220.db2.gz HLNMXKQUJYSHAE-AATRIKPKSA-N 2 1 349.544 3.314 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001196018030 1368537227 /nfs/dbraw/zinc/53/72/27/1368537227.db2.gz HLNMXKQUJYSHAE-AATRIKPKSA-N 2 1 349.544 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001196060557 1368542420 /nfs/dbraw/zinc/54/24/20/1368542420.db2.gz ZNQWFOOBJWIHLO-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001196060557 1368542424 /nfs/dbraw/zinc/54/24/24/1368542424.db2.gz ZNQWFOOBJWIHLO-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001196060557 1368542427 /nfs/dbraw/zinc/54/24/27/1368542427.db2.gz ZNQWFOOBJWIHLO-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001111915338 1368555598 /nfs/dbraw/zinc/55/55/98/1368555598.db2.gz ZMHICNNOWYBJTK-FPOVZHCZSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001111939587 1368567786 /nfs/dbraw/zinc/56/77/86/1368567786.db2.gz IKNHLQYFNIISTB-WHGMVNQHSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001111939587 1368567789 /nfs/dbraw/zinc/56/77/89/1368567789.db2.gz IKNHLQYFNIISTB-WHGMVNQHSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001111939587 1368567797 /nfs/dbraw/zinc/56/77/97/1368567797.db2.gz IKNHLQYFNIISTB-WHGMVNQHSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CC(C)(C)C1)C2 ZINC001111951201 1368571260 /nfs/dbraw/zinc/57/12/60/1368571260.db2.gz XOKKXDUDOSESGF-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CC(C)(C)C1)C2 ZINC001111951201 1368571265 /nfs/dbraw/zinc/57/12/65/1368571265.db2.gz XOKKXDUDOSESGF-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CC(C)(C)C1)C2 ZINC001111951201 1368571269 /nfs/dbraw/zinc/57/12/69/1368571269.db2.gz XOKKXDUDOSESGF-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111988399 1368593707 /nfs/dbraw/zinc/59/37/07/1368593707.db2.gz FHXMNILTKVKFIR-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001196349805 1368595151 /nfs/dbraw/zinc/59/51/51/1368595151.db2.gz NOOYUAUSJRQPNY-SFHVURJKSA-N 2 1 345.531 3.321 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+]([C@@H](C)c2ccccc2C)CC1 ZINC001196349805 1368595155 /nfs/dbraw/zinc/59/51/55/1368595155.db2.gz NOOYUAUSJRQPNY-SFHVURJKSA-N 2 1 345.531 3.321 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+]([C@@H](C)c2ccccc2C)CC1 ZINC001196349805 1368595167 /nfs/dbraw/zinc/59/51/67/1368595167.db2.gz NOOYUAUSJRQPNY-SFHVURJKSA-N 2 1 345.531 3.321 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388482 1368604130 /nfs/dbraw/zinc/60/41/30/1368604130.db2.gz MUMGAJFRUFGAQV-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001196388482 1368604135 /nfs/dbraw/zinc/60/41/35/1368604135.db2.gz MUMGAJFRUFGAQV-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001196388482 1368604139 /nfs/dbraw/zinc/60/41/39/1368604139.db2.gz MUMGAJFRUFGAQV-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196641349 1368654487 /nfs/dbraw/zinc/65/44/87/1368654487.db2.gz BPCWIBNWHFKHQT-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)CC[N@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001196642028 1368654698 /nfs/dbraw/zinc/65/46/98/1368654698.db2.gz XLDJRKVFBXFFAQ-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)CC[NH+]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001196642028 1368654703 /nfs/dbraw/zinc/65/47/03/1368654703.db2.gz XLDJRKVFBXFFAQ-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)CC[NH+]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001196642028 1368654704 /nfs/dbraw/zinc/65/47/04/1368654704.db2.gz XLDJRKVFBXFFAQ-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@H](C(=O)N1CCC[N@@H+](Cc2cccc(C)c2)CC1)[NH+](CC)CC ZINC001197133526 1368751474 /nfs/dbraw/zinc/75/14/74/1368751474.db2.gz CBPDIWUSXNYZKD-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)CCn2ccnc2C(C)C)CC1 ZINC001197324068 1368787933 /nfs/dbraw/zinc/78/79/33/1368787933.db2.gz MFFICBWZBOQNPZ-UHFFFAOYSA-N 2 1 348.535 3.367 20 0 EGADMP CC(C)CCC[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001197324068 1368787936 /nfs/dbraw/zinc/78/79/36/1368787936.db2.gz MFFICBWZBOQNPZ-UHFFFAOYSA-N 2 1 348.535 3.367 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001197324068 1368787941 /nfs/dbraw/zinc/78/79/41/1368787941.db2.gz MFFICBWZBOQNPZ-UHFFFAOYSA-N 2 1 348.535 3.367 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N1CCC[NH+](CCC(C)C)CC1)c1ccccc1 ZINC001197809611 1368903854 /nfs/dbraw/zinc/90/38/54/1368903854.db2.gz DEVOXQCHTUEWTL-FQEVSTJZSA-N 2 1 345.531 3.260 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[NH+](CCC(C)C)CC1)c1ccccc1 ZINC001197809611 1368903855 /nfs/dbraw/zinc/90/38/55/1368903855.db2.gz DEVOXQCHTUEWTL-FQEVSTJZSA-N 2 1 345.531 3.260 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@H+](CCC(C)C)CC1)c1ccccc1 ZINC001197809611 1368903857 /nfs/dbraw/zinc/90/38/57/1368903857.db2.gz DEVOXQCHTUEWTL-FQEVSTJZSA-N 2 1 345.531 3.260 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@@H+](CCC(C)C)CC1)c1ccccc1 ZINC001197809611 1368903858 /nfs/dbraw/zinc/90/38/58/1368903858.db2.gz DEVOXQCHTUEWTL-FQEVSTJZSA-N 2 1 345.531 3.260 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2C)CC1 ZINC001197908056 1368922731 /nfs/dbraw/zinc/92/27/31/1368922731.db2.gz RMPXMPMUSPLDII-UHFFFAOYSA-N 2 1 345.531 3.070 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2=CCCCC2)C1 ZINC001112557808 1368926787 /nfs/dbraw/zinc/92/67/87/1368926787.db2.gz ZKSLLRAOQQRSHR-FPOVZHCZSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC2CCC2)C1 ZINC001112567932 1368930522 /nfs/dbraw/zinc/93/05/22/1368930522.db2.gz PBQMABANTYIVJT-FPOVZHCZSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCCCC2)C1 ZINC001112586221 1368938065 /nfs/dbraw/zinc/93/80/65/1368938065.db2.gz NUBWEHBRMLMOMI-FPOVZHCZSA-N 2 1 349.563 3.125 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC001198033174 1368946632 /nfs/dbraw/zinc/94/66/32/1368946632.db2.gz AGBUHHFCHKGOCT-YLJYHZDGSA-N 2 1 344.499 3.446 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001198259821 1368991261 /nfs/dbraw/zinc/99/12/61/1368991261.db2.gz RKXGVIKEDMTQDU-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198259050 1368992297 /nfs/dbraw/zinc/99/22/97/1368992297.db2.gz KEYIXQCRLKMDCZ-LJQANCHMSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001198259050 1368992301 /nfs/dbraw/zinc/99/23/01/1368992301.db2.gz KEYIXQCRLKMDCZ-LJQANCHMSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001198259050 1368992304 /nfs/dbraw/zinc/99/23/04/1368992304.db2.gz KEYIXQCRLKMDCZ-LJQANCHMSA-N 2 1 331.504 3.012 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198364042 1369015662 /nfs/dbraw/zinc/01/56/62/1369015662.db2.gz LKXFXEMAQRAYOW-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CC/C=C/CC[N@@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198364541 1369016681 /nfs/dbraw/zinc/01/66/81/1369016681.db2.gz ZIYKHGLNZMOZCY-SNAWJCMRSA-N 2 1 343.515 3.009 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198364541 1369016682 /nfs/dbraw/zinc/01/66/82/1369016682.db2.gz ZIYKHGLNZMOZCY-SNAWJCMRSA-N 2 1 343.515 3.009 20 0 EGADMP CC/C=C/CC[NH+]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001198364541 1369016684 /nfs/dbraw/zinc/01/66/84/1369016684.db2.gz ZIYKHGLNZMOZCY-SNAWJCMRSA-N 2 1 343.515 3.009 20 0 EGADMP CC/C=C/CC[NH+]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001198364541 1369016685 /nfs/dbraw/zinc/01/66/85/1369016685.db2.gz ZIYKHGLNZMOZCY-SNAWJCMRSA-N 2 1 343.515 3.009 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186596824 1387979062 /nfs/dbraw/zinc/97/90/62/1387979062.db2.gz AUICMBGHYDPDLN-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001325458223 1387979822 /nfs/dbraw/zinc/97/98/22/1387979822.db2.gz VKIRNSAGCQQLSK-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2CCC[NH+](C(C)C)CC2)CC1 ZINC001186605556 1387983884 /nfs/dbraw/zinc/98/38/84/1387983884.db2.gz PQAACHCDNYPXFV-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001186605556 1387983888 /nfs/dbraw/zinc/98/38/88/1387983888.db2.gz PQAACHCDNYPXFV-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC001186605556 1387983891 /nfs/dbraw/zinc/98/38/91/1387983891.db2.gz PQAACHCDNYPXFV-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC001199276865 1369201191 /nfs/dbraw/zinc/20/11/91/1369201191.db2.gz VMTUHCKPSRAQJE-YLJYHZDGSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001200506630 1369382287 /nfs/dbraw/zinc/38/22/87/1369382287.db2.gz FXQTYPVPEIBFMY-IEBWSBKVSA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001201043864 1369470929 /nfs/dbraw/zinc/47/09/29/1369470929.db2.gz KPIAYMIZKRGDAM-IBGZPJMESA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCCC(C)C)CC1 ZINC001113519886 1369474587 /nfs/dbraw/zinc/47/45/87/1369474587.db2.gz BVTLZVSFQVRKHT-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001113529589 1369480090 /nfs/dbraw/zinc/48/00/90/1369480090.db2.gz WPFZVLPBTURUMF-HXUWFJFHSA-N 2 1 345.531 3.260 20 0 EGADMP CCC(CC)C[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001113529589 1369480091 /nfs/dbraw/zinc/48/00/91/1369480091.db2.gz WPFZVLPBTURUMF-HXUWFJFHSA-N 2 1 345.531 3.260 20 0 EGADMP CC(C)(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001201231004 1369500693 /nfs/dbraw/zinc/50/06/93/1369500693.db2.gz YTQNRWJJNGIROJ-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001201326758 1369520967 /nfs/dbraw/zinc/52/09/67/1369520967.db2.gz ATPLQFBKKMKDQM-KRWDZBQOSA-N 2 1 345.531 3.367 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001201399082 1369536616 /nfs/dbraw/zinc/53/66/16/1369536616.db2.gz GQPPDTDNKVISKR-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001201528756 1369566937 /nfs/dbraw/zinc/56/69/37/1369566937.db2.gz ZIUPUIBMXYVVTI-UHFFFAOYSA-N 2 1 345.531 3.432 20 0 EGADMP c1ccc(C[NH+]2CCC3(CCC[N@H+](C[C@H]4CCOC4)C3)CC2)cc1 ZINC001202528761 1369801001 /nfs/dbraw/zinc/80/10/01/1369801001.db2.gz FMAJDVCUQVTKBT-HXUWFJFHSA-N 2 1 328.500 3.401 20 0 EGADMP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001114303888 1369869999 /nfs/dbraw/zinc/86/99/99/1369869999.db2.gz GSSKQVJBGLTSEB-WWNBULGVSA-N 2 1 346.519 3.023 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001114303888 1369870000 /nfs/dbraw/zinc/87/00/00/1369870000.db2.gz GSSKQVJBGLTSEB-WWNBULGVSA-N 2 1 346.519 3.023 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC(C)C)C1 ZINC001186980690 1388034889 /nfs/dbraw/zinc/03/48/89/1388034889.db2.gz CMTSWIFSAYVUSH-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC1(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)COC1 ZINC001202937344 1369930865 /nfs/dbraw/zinc/93/08/65/1369930865.db2.gz XWNXNLWNYLARMA-UHFFFAOYSA-N 2 1 334.529 3.463 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC001202974533 1369943202 /nfs/dbraw/zinc/94/32/02/1369943202.db2.gz WULFKCADDXDCQJ-UHFFFAOYSA-N 2 1 345.531 3.279 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203103250 1369983957 /nfs/dbraw/zinc/98/39/57/1369983957.db2.gz KOKOAPFAIFSXLU-ZWKOTPCHSA-N 2 1 349.563 3.314 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cccc5nonc54)CC[C@@H]3C2)cc1 ZINC001203140789 1369996048 /nfs/dbraw/zinc/99/60/48/1369996048.db2.gz SRTIWFORKAEUSP-IEBWSBKVSA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccc5nonc54)CC[C@@H]3C2)cc1 ZINC001203140789 1369996052 /nfs/dbraw/zinc/99/60/52/1369996052.db2.gz SRTIWFORKAEUSP-IEBWSBKVSA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccc5nonc54)CC[C@@H]3C2)cc1 ZINC001203140789 1369996055 /nfs/dbraw/zinc/99/60/55/1369996055.db2.gz SRTIWFORKAEUSP-IEBWSBKVSA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cccc5nonc54)CC[C@@H]3C2)cc1 ZINC001203140789 1369996057 /nfs/dbraw/zinc/99/60/57/1369996057.db2.gz SRTIWFORKAEUSP-IEBWSBKVSA-N 2 1 348.450 3.177 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203425626 1370120008 /nfs/dbraw/zinc/12/00/08/1370120008.db2.gz DBHQIZDQBNSHPM-HNGSOEQISA-N 2 1 349.563 3.338 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203507071 1370148446 /nfs/dbraw/zinc/14/84/46/1370148446.db2.gz NYXSBNOBIIYHGO-RBUKOAKNSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)C)C12CCC2 ZINC001203641216 1370198035 /nfs/dbraw/zinc/19/80/35/1370198035.db2.gz PMVUQKYQQZNMCO-MSOLQXFVSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(CC)CC)C12CCC2 ZINC001203641772 1370198693 /nfs/dbraw/zinc/19/86/93/1370198693.db2.gz VDDJUUZGCZXEQT-ROUUACIJSA-N 2 1 337.552 3.172 20 0 EGADMP CC[N@@H+](Cc1ccc(OCCC[NH+](C)C)cc1)Cc1cccnc1 ZINC001204268367 1370426919 /nfs/dbraw/zinc/42/69/19/1370426919.db2.gz ISOWMEYJUDNUHW-UHFFFAOYSA-N 2 1 327.472 3.434 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc(OC(C)C)cc2)CC1 ZINC001204455107 1370481342 /nfs/dbraw/zinc/48/13/42/1370481342.db2.gz NGYCEKDVJVCZSI-UHFFFAOYSA-N 2 1 347.547 3.323 20 0 EGADMP Cc1nn(C)cc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001204583810 1370523446 /nfs/dbraw/zinc/52/34/46/1370523446.db2.gz FJYQOULKGREIIF-WOJBJXKFSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1nn(C)cc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001204583810 1370523449 /nfs/dbraw/zinc/52/34/49/1370523449.db2.gz FJYQOULKGREIIF-WOJBJXKFSA-N 2 1 338.499 3.073 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115535257 1370532066 /nfs/dbraw/zinc/53/20/66/1370532066.db2.gz PCARQSZQHWBSLW-SFHVURJKSA-N 2 1 335.536 3.068 20 0 EGADMP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001115537012 1370534436 /nfs/dbraw/zinc/53/44/36/1370534436.db2.gz RVVHCPRBZHKWRK-MOPGFXCFSA-N 2 1 347.547 3.070 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115562564 1370562343 /nfs/dbraw/zinc/56/23/43/1370562343.db2.gz AAMYZQUGJIPUQY-SFHVURJKSA-N 2 1 335.536 3.070 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115563333 1370562661 /nfs/dbraw/zinc/56/26/61/1370562661.db2.gz RPTYGSAIDXEONW-LJQANCHMSA-N 2 1 349.563 3.460 20 0 EGADMP [NH3+]CC[C@@H]1C[N@H+](Cc2cccc(OCC3CCCCC3)c2)CCO1 ZINC001204756983 1370568583 /nfs/dbraw/zinc/56/85/83/1370568583.db2.gz VTIBCMGGCYHKOK-HXUWFJFHSA-N 2 1 332.488 3.195 20 0 EGADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2cccc(OCC3CCCCC3)c2)CCO1 ZINC001204756983 1370568590 /nfs/dbraw/zinc/56/85/90/1370568590.db2.gz VTIBCMGGCYHKOK-HXUWFJFHSA-N 2 1 332.488 3.195 20 0 EGADMP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115598554 1370598661 /nfs/dbraw/zinc/59/86/61/1370598661.db2.gz SJWVAYZJLQWJFO-SHCNBLLESA-N 2 1 335.536 3.236 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1([NH2+]CCC(C)C)CCCCC1 ZINC001115601538 1370601152 /nfs/dbraw/zinc/60/11/52/1370601152.db2.gz GBAKFPMNHDYCRD-UHFFFAOYSA-N 2 1 325.541 3.172 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCCCC1 ZINC001115611530 1370610491 /nfs/dbraw/zinc/61/04/91/1370610491.db2.gz MBNDRGIYMPUTPA-SFHVURJKSA-N 2 1 337.552 3.316 20 0 EGADMP COc1ccc(N(C)c2ccc(C[N@H+]3C[C@H](C)[C@H](C[NH3+])C3)cc2)cc1 ZINC001205135928 1370660646 /nfs/dbraw/zinc/66/06/46/1370660646.db2.gz HKZUUGDGVSQWAX-FUHWJXTLSA-N 2 1 339.483 3.490 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2Cl)CC1 ZINC001205241772 1370692120 /nfs/dbraw/zinc/69/21/20/1370692120.db2.gz VNVDRNJHSKRPSU-CQSZACIVSA-N 2 1 337.678 3.323 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2Cl)CC1 ZINC001205241772 1370692123 /nfs/dbraw/zinc/69/21/23/1370692123.db2.gz VNVDRNJHSKRPSU-CQSZACIVSA-N 2 1 337.678 3.323 20 0 EGADMP CC(C)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001205296480 1370710740 /nfs/dbraw/zinc/71/07/40/1370710740.db2.gz APKOFQMKIILCDU-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc3cc(Br)ccc3[nH]2)C[C@@H]1C[NH3+] ZINC001205303975 1370713706 /nfs/dbraw/zinc/71/37/06/1370713706.db2.gz MAZNXFOTWHLVCH-YPMHNXCESA-N 2 1 336.277 3.347 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115730895 1370713872 /nfs/dbraw/zinc/71/38/72/1370713872.db2.gz UEXXENJCFMMBGH-DLBZAZTESA-N 2 1 337.552 3.029 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)C[C@@H]1C[NH3+] ZINC001205314361 1370718819 /nfs/dbraw/zinc/71/88/19/1370718819.db2.gz BBYFETSPFDITAK-ZFWWWQNUSA-N 2 1 331.410 3.444 20 0 EGADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2ncc(Br)cc2c1 ZINC001205332492 1370723301 /nfs/dbraw/zinc/72/33/01/1370723301.db2.gz QGKOQJLJOOTAKP-LBPRGKRZSA-N 2 1 334.261 3.181 20 0 EGADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc2ncc(Br)cc2c1 ZINC001205332492 1370723304 /nfs/dbraw/zinc/72/33/04/1370723304.db2.gz QGKOQJLJOOTAKP-LBPRGKRZSA-N 2 1 334.261 3.181 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[NH2+]CC[C@H]3C)cc2)cc1 ZINC001205333248 1370724062 /nfs/dbraw/zinc/72/40/62/1370724062.db2.gz YLEKSWCKUDLPRU-MRXNPFEDSA-N 2 1 338.451 3.324 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[NH2+]CC[C@H]3C)cc2)cc1 ZINC001205333248 1370724064 /nfs/dbraw/zinc/72/40/64/1370724064.db2.gz YLEKSWCKUDLPRU-MRXNPFEDSA-N 2 1 338.451 3.324 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CCCCC1 ZINC001115760965 1370745163 /nfs/dbraw/zinc/74/51/63/1370745163.db2.gz ZXDSLAUNDGSDFU-GOSISDBHSA-N 2 1 337.552 3.458 20 0 EGADMP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205462182 1370763601 /nfs/dbraw/zinc/76/36/01/1370763601.db2.gz UURURBZLEYTSDQ-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CCn1cc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)cn1 ZINC001205527889 1370782539 /nfs/dbraw/zinc/78/25/39/1370782539.db2.gz CRJUJBXQONVHBT-IBGZPJMESA-N 2 1 342.487 3.373 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCCCC1 ZINC001115806205 1370789747 /nfs/dbraw/zinc/78/97/47/1370789747.db2.gz PUJSTKDDZQJUIW-UHFFFAOYSA-N 2 1 349.563 3.317 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(Br)c(F)c2)CC1 ZINC001205558435 1370791469 /nfs/dbraw/zinc/79/14/69/1370791469.db2.gz FJOUWHZUDXOYNA-CQSZACIVSA-N 2 1 333.220 3.241 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(Br)c(F)c2)CC1 ZINC001205558435 1370791474 /nfs/dbraw/zinc/79/14/74/1370791474.db2.gz FJOUWHZUDXOYNA-CQSZACIVSA-N 2 1 333.220 3.241 20 0 EGADMP COc1cc(Br)ccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205570371 1370795378 /nfs/dbraw/zinc/79/53/78/1370795378.db2.gz JFMANBXOOJHYPN-HNNXBMFYSA-N 2 1 345.256 3.111 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2nc(Cl)ccc2C(F)(F)F)CC1 ZINC001205578584 1370797535 /nfs/dbraw/zinc/79/75/35/1370797535.db2.gz GGODVOHXYLYLIZ-CYBMUJFWSA-N 2 1 339.764 3.407 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2nc(Cl)ccc2C(F)(F)F)CC1 ZINC001205578584 1370797539 /nfs/dbraw/zinc/79/75/39/1370797539.db2.gz GGODVOHXYLYLIZ-CYBMUJFWSA-N 2 1 339.764 3.407 20 0 EGADMP c1cc(-c2ccc([C@H]3CCC[NH2+]3)cn2)ccc1CC[NH+]1CCOCC1 ZINC001205613588 1370810807 /nfs/dbraw/zinc/81/08/07/1370810807.db2.gz XRUMIWPVFBWOPK-HXUWFJFHSA-N 2 1 337.467 3.048 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CC[C@H]1C[NH3+] ZINC001205638731 1370823227 /nfs/dbraw/zinc/82/32/27/1370823227.db2.gz RJIOKMYAZANBQL-STQMWFEESA-N 2 1 334.414 3.162 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(O)cc2OC(F)(F)F)CC[C@H]1C[NH3+] ZINC001205653357 1370828533 /nfs/dbraw/zinc/82/85/33/1370828533.db2.gz SWFAXTVRVSPZBK-NEPJUHHUSA-N 2 1 332.366 3.098 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ncc(Cl)cc2Br)CC[C@@H]1C[NH3+] ZINC001205651517 1370828784 /nfs/dbraw/zinc/82/87/84/1370828784.db2.gz GDCKMYHZBVMBOS-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ncc(Cl)cc2Br)CC[C@@H]1C[NH3+] ZINC001205651517 1370828792 /nfs/dbraw/zinc/82/87/92/1370828792.db2.gz GDCKMYHZBVMBOS-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP CC(C)C[C@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[NH+](C)C ZINC001116125337 1370842704 /nfs/dbraw/zinc/84/27/04/1370842704.db2.gz IXNBKQXMXGDNEX-IAGOWNOFSA-N 2 1 339.911 3.035 20 0 EGADMP CCOC(=O)N1CCC(C)(C[N@@H+](CC)CCC[NH+]2CCCC2)CC1 ZINC001205693227 1370844096 /nfs/dbraw/zinc/84/40/96/1370844096.db2.gz RPXSLURNOYTBQZ-UHFFFAOYSA-N 2 1 339.524 3.053 20 0 EGADMP COC(=O)CCCCCCCCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205735896 1370855604 /nfs/dbraw/zinc/85/56/04/1370855604.db2.gz RDNBFACSYHJYDM-OAHLLOKOSA-N 2 1 334.451 3.196 20 0 EGADMP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205795666 1370874417 /nfs/dbraw/zinc/87/44/17/1370874417.db2.gz KCFWADQEPAYNDC-KRWDZBQOSA-N 2 1 331.410 3.473 20 0 EGADMP Cc1cnc(-c2ccccc2)c(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205795666 1370874424 /nfs/dbraw/zinc/87/44/24/1370874424.db2.gz KCFWADQEPAYNDC-KRWDZBQOSA-N 2 1 331.410 3.473 20 0 EGADMP CC(C)Oc1c(F)c(F)ccc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001205855502 1370893814 /nfs/dbraw/zinc/89/38/14/1370893814.db2.gz SSXKBDMGXNDZJE-UHFFFAOYSA-N 2 1 333.382 3.224 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205902112 1370905185 /nfs/dbraw/zinc/90/51/85/1370905185.db2.gz IDACFCJHSPMMJF-LPHOPBHVSA-N 2 1 326.488 3.107 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205916165 1370909587 /nfs/dbraw/zinc/90/95/87/1370909587.db2.gz SFTOCAXSEUVAAS-HUUCEWRRSA-N 2 1 343.471 3.212 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205916165 1370909591 /nfs/dbraw/zinc/90/95/91/1370909591.db2.gz SFTOCAXSEUVAAS-HUUCEWRRSA-N 2 1 343.471 3.212 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001205917442 1370910573 /nfs/dbraw/zinc/91/05/73/1370910573.db2.gz YPZDVCRCVKCXHN-WCQYABFASA-N 2 1 334.357 3.483 20 0 EGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC001326035212 1388103186 /nfs/dbraw/zinc/10/31/86/1388103186.db2.gz FRRDUARKZJINTR-SMDDNHRTSA-N 2 1 327.266 3.250 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(OC)cc1Cl ZINC001206013549 1370937650 /nfs/dbraw/zinc/93/76/50/1370937650.db2.gz SBPNWOGFEUZNSX-CHWSQXEVSA-N 2 1 326.868 3.164 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(OC(F)(F)F)c1 ZINC001206013987 1370939453 /nfs/dbraw/zinc/93/94/53/1370939453.db2.gz UQAISESYAAVQMJ-QWHCGFSZSA-N 2 1 346.393 3.401 20 0 EGADMP Cc1cc(Br)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1O ZINC001206021596 1370939721 /nfs/dbraw/zinc/93/97/21/1370939721.db2.gz AJRVUNDXJZVOPB-OLZOCXBDSA-N 2 1 341.293 3.270 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1Br ZINC001206025546 1370942410 /nfs/dbraw/zinc/94/24/10/1370942410.db2.gz OBXBDALFOSLRFF-QWHCGFSZSA-N 2 1 341.293 3.265 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1OC1CCCC1 ZINC001206173003 1370980259 /nfs/dbraw/zinc/98/02/59/1370980259.db2.gz DTPMNQXZZUHJBB-IAGOWNOFSA-N 2 1 336.451 3.278 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1OC1CCCC1 ZINC001206173003 1370980261 /nfs/dbraw/zinc/98/02/61/1370980261.db2.gz DTPMNQXZZUHJBB-IAGOWNOFSA-N 2 1 336.451 3.278 20 0 EGADMP COc1ccc(-c2ccncc2)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206211299 1370994067 /nfs/dbraw/zinc/99/40/67/1370994067.db2.gz NBURDAGLGQNPTR-RTBURBONSA-N 2 1 329.419 3.018 20 0 EGADMP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CC[NH2+]C[C@H](C)C3)c2)cc1 ZINC001206284911 1371011981 /nfs/dbraw/zinc/01/19/81/1371011981.db2.gz JAFCNLFHBBPPRO-INIZCTEOSA-N 2 1 338.451 3.182 20 0 EGADMP COC(=O)c1ccc(-c2cccc(C[N@H+]3CC[NH2+]C[C@H](C)C3)c2)cc1 ZINC001206284911 1371011986 /nfs/dbraw/zinc/01/19/86/1371011986.db2.gz JAFCNLFHBBPPRO-INIZCTEOSA-N 2 1 338.451 3.182 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC001117112677 1371012299 /nfs/dbraw/zinc/01/22/99/1371012299.db2.gz NWNOZLOOBRNIJR-NVXWUHKLSA-N 2 1 334.504 3.265 20 0 EGADMP COc1ccc(Br)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206303757 1371016135 /nfs/dbraw/zinc/01/61/35/1371016135.db2.gz GJOGUJQVZKJYEZ-INIZCTEOSA-N 2 1 341.293 3.409 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206305084 1371016591 /nfs/dbraw/zinc/01/65/91/1371016591.db2.gz SOTGVAJNCLHBII-OAQYLSRUSA-N 2 1 340.515 3.499 20 0 EGADMP CC(C)(C)C(=O)Nc1cnccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304764 1371016670 /nfs/dbraw/zinc/01/66/70/1371016670.db2.gz PLGWZSVGYFRNAI-LJQANCHMSA-N 2 1 332.492 3.017 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)CC1 ZINC001206334931 1371025576 /nfs/dbraw/zinc/02/55/76/1371025576.db2.gz AYIBJPCUSWIBHX-OAHLLOKOSA-N 2 1 342.274 3.167 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)nc2)C1 ZINC001117632817 1371056957 /nfs/dbraw/zinc/05/69/57/1371056957.db2.gz IJMXPNFBTYWNFL-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)nc2)C1 ZINC001117632817 1371056958 /nfs/dbraw/zinc/05/69/58/1371056958.db2.gz IJMXPNFBTYWNFL-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP CCCC[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001206473948 1371065894 /nfs/dbraw/zinc/06/58/94/1371065894.db2.gz CYMDOCTYKKYWLF-UHFFFAOYSA-N 2 1 334.508 3.025 20 0 EGADMP CC[C@H](C)C[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001206476463 1371066383 /nfs/dbraw/zinc/06/63/83/1371066383.db2.gz UVZSUQXAZFRBHR-KRWDZBQOSA-N 2 1 348.535 3.271 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206481373 1371067759 /nfs/dbraw/zinc/06/77/59/1371067759.db2.gz GUBALXZAESFHHY-KKHYBRAUSA-N 2 1 349.563 3.434 20 0 EGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccn1C1CC1 ZINC001117744792 1371073465 /nfs/dbraw/zinc/07/34/65/1371073465.db2.gz XDJAGFNHUZNJRJ-OAQYLSRUSA-N 2 1 339.483 3.070 20 0 EGADMP C[C@]1(C[NH3+])CCCCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001206540137 1371087810 /nfs/dbraw/zinc/08/78/10/1371087810.db2.gz AMCUNDJFUUSYQR-NHCUHLMSSA-N 2 1 329.532 3.492 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001206602021 1371105103 /nfs/dbraw/zinc/10/51/03/1371105103.db2.gz CHLGTVQBPXTOFV-UHFFFAOYSA-N 2 1 348.535 3.236 20 0 EGADMP Cc1ncc(CN2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)n1C ZINC001206795575 1371169286 /nfs/dbraw/zinc/16/92/86/1371169286.db2.gz HJZKCANKNGCZBQ-UYWIDEMCSA-N 2 1 340.515 3.124 20 0 EGADMP Cc1[nH+]cc(CN2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)n1C ZINC001206795575 1371169288 /nfs/dbraw/zinc/16/92/88/1371169288.db2.gz HJZKCANKNGCZBQ-UYWIDEMCSA-N 2 1 340.515 3.124 20 0 EGADMP Cc1[nH+]cc(CN2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)n1C ZINC001206795575 1371169291 /nfs/dbraw/zinc/16/92/91/1371169291.db2.gz HJZKCANKNGCZBQ-UYWIDEMCSA-N 2 1 340.515 3.124 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]CCC3=CCCCC3)CC2)C1 ZINC001206872866 1371198780 /nfs/dbraw/zinc/19/87/80/1371198780.db2.gz WMZJRBICGJMWRO-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC001118759993 1371222416 /nfs/dbraw/zinc/22/24/16/1371222416.db2.gz WPVOLELNYWWNNV-IBGZPJMESA-N 2 1 340.471 3.061 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC001118759993 1371222422 /nfs/dbraw/zinc/22/24/22/1371222422.db2.gz WPVOLELNYWWNNV-IBGZPJMESA-N 2 1 340.471 3.061 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001206969701 1371251933 /nfs/dbraw/zinc/25/19/33/1371251933.db2.gz ISLYXOPHGQPBCL-UHFFFAOYSA-N 2 1 345.531 3.137 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001206969701 1371251936 /nfs/dbraw/zinc/25/19/36/1371251936.db2.gz ISLYXOPHGQPBCL-UHFFFAOYSA-N 2 1 345.531 3.137 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001207006978 1371264661 /nfs/dbraw/zinc/26/46/61/1371264661.db2.gz DMMNKJBMUVZKRS-RCKLCRPTSA-N 2 1 346.519 3.189 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207006978 1371264665 /nfs/dbraw/zinc/26/46/65/1371264665.db2.gz DMMNKJBMUVZKRS-RCKLCRPTSA-N 2 1 346.519 3.189 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207006978 1371264668 /nfs/dbraw/zinc/26/46/68/1371264668.db2.gz DMMNKJBMUVZKRS-RCKLCRPTSA-N 2 1 346.519 3.189 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001207007665 1371264916 /nfs/dbraw/zinc/26/49/16/1371264916.db2.gz PDFLQMMLTCJTLO-FGTMMUONSA-N 2 1 348.535 3.413 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207007665 1371264918 /nfs/dbraw/zinc/26/49/18/1371264918.db2.gz PDFLQMMLTCJTLO-FGTMMUONSA-N 2 1 348.535 3.413 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207007665 1371264922 /nfs/dbraw/zinc/26/49/22/1371264922.db2.gz PDFLQMMLTCJTLO-FGTMMUONSA-N 2 1 348.535 3.413 20 0 EGADMP O=c1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001207072543 1371286092 /nfs/dbraw/zinc/28/60/92/1371286092.db2.gz JFERWLGTHPJKOQ-RBUKOAKNSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1cccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001207072543 1371286094 /nfs/dbraw/zinc/28/60/94/1371286094.db2.gz JFERWLGTHPJKOQ-RBUKOAKNSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1cccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001207072543 1371286095 /nfs/dbraw/zinc/28/60/95/1371286095.db2.gz JFERWLGTHPJKOQ-RBUKOAKNSA-N 2 1 337.467 3.131 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc2)cn1 ZINC001326201908 1388127051 /nfs/dbraw/zinc/12/70/51/1388127051.db2.gz LQTWHLPHPIIPJO-PMACEKPBSA-N 2 1 338.499 3.299 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cc[nH]c(=O)c1)CC2 ZINC001207119506 1371299238 /nfs/dbraw/zinc/29/92/38/1371299238.db2.gz DNHHARZKXCXFKI-GOSISDBHSA-N 2 1 341.455 3.257 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC001119365016 1371322499 /nfs/dbraw/zinc/32/24/99/1371322499.db2.gz WPAHTKPDHQZDJS-DLBZAZTESA-N 2 1 337.467 3.225 20 0 EGADMP C[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207274756 1371347245 /nfs/dbraw/zinc/34/72/45/1371347245.db2.gz GCZDDAXLVJFMJD-CVEARBPZSA-N 2 1 341.540 3.199 20 0 EGADMP c1ccc(C[NH+]2CCC(CN3CC[NH+](C4CCC4)CC3)CC2)cc1 ZINC001207286748 1371351338 /nfs/dbraw/zinc/35/13/38/1371351338.db2.gz LNTGAROQKIJVAI-UHFFFAOYSA-N 2 1 327.516 3.069 20 0 EGADMP CC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)CC(C)(C)C[NH+](C)C ZINC001207288268 1371351432 /nfs/dbraw/zinc/35/14/32/1371351432.db2.gz MBLNHLWZJRWWLJ-MRXNPFEDSA-N 2 1 341.540 3.153 20 0 EGADMP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207293186 1371353091 /nfs/dbraw/zinc/35/30/91/1371353091.db2.gz DWVHBKPBEPGIPW-PXNSSMCTSA-N 2 1 346.515 3.418 20 0 EGADMP CC[N@@H+](CC1CC[NH+](C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207398321 1371383788 /nfs/dbraw/zinc/38/37/88/1371383788.db2.gz HRMYQWJKTCUEFA-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+]1CCC(C[N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CC1 ZINC001207398245 1371383912 /nfs/dbraw/zinc/38/39/12/1371383912.db2.gz BRMSPOOPXBKVTM-OTWHNJEPSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001207399951 1371385232 /nfs/dbraw/zinc/38/52/32/1371385232.db2.gz ZJNFYCCCQPIHQY-KRWDZBQOSA-N 2 1 339.524 3.050 20 0 EGADMP c1ccc2c(c1)[C@@H]1C[N@H+](CC3CC[NH2+]CC3)C[C@@H]1[C@H]2OCC1CC1 ZINC001207437349 1371394977 /nfs/dbraw/zinc/39/49/77/1371394977.db2.gz UZVSUGGTNUDYGL-ACRUOGEOSA-N 2 1 326.484 3.183 20 0 EGADMP Cc1ccc(CN2C[C@H]3C[NH+](CCC4CC[NH+](C)CC4)C[C@@H]3C2)cc1 ZINC001207482520 1371409469 /nfs/dbraw/zinc/40/94/69/1371409469.db2.gz MWQWXPMLJSQYDR-FGZHOGPDSA-N 2 1 341.543 3.091 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001207541071 1371430795 /nfs/dbraw/zinc/43/07/95/1371430795.db2.gz RSXJWUXTFDSMFD-ZRAQOITDSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001207541071 1371430798 /nfs/dbraw/zinc/43/07/98/1371430798.db2.gz RSXJWUXTFDSMFD-ZRAQOITDSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001207541071 1371430802 /nfs/dbraw/zinc/43/08/02/1371430802.db2.gz RSXJWUXTFDSMFD-ZRAQOITDSA-N 2 1 335.536 3.042 20 0 EGADMP CCC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CCCCC1 ZINC001119993619 1371445858 /nfs/dbraw/zinc/44/58/58/1371445858.db2.gz ORUKQBYPBJGGCG-LJQANCHMSA-N 2 1 345.531 3.498 20 0 EGADMP CC/C=C\CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120010676 1371454242 /nfs/dbraw/zinc/45/42/42/1371454242.db2.gz UHTUTIKUWXCXRQ-PYTPGESOSA-N 2 1 335.536 3.093 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)c2ccc(F)cc2)C[C@H]1C ZINC001207750270 1371493372 /nfs/dbraw/zinc/49/33/72/1371493372.db2.gz OAPUFRXIGREYQV-RVKKMQEKSA-N 2 1 349.494 3.054 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)cc2)C[C@H]1C ZINC001207750270 1371493375 /nfs/dbraw/zinc/49/33/75/1371493375.db2.gz OAPUFRXIGREYQV-RVKKMQEKSA-N 2 1 349.494 3.054 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)cc2)C[C@H]1C ZINC001207750270 1371493378 /nfs/dbraw/zinc/49/33/78/1371493378.db2.gz OAPUFRXIGREYQV-RVKKMQEKSA-N 2 1 349.494 3.054 20 0 EGADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)c2ccccc2F)C[C@H]1C ZINC001207750810 1371494562 /nfs/dbraw/zinc/49/45/62/1371494562.db2.gz ZVPPJEAPHJMYJU-RVKKMQEKSA-N 2 1 349.494 3.054 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)c2ccccc2F)C[C@H]1C ZINC001207750810 1371494565 /nfs/dbraw/zinc/49/45/65/1371494565.db2.gz ZVPPJEAPHJMYJU-RVKKMQEKSA-N 2 1 349.494 3.054 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2F)C[C@H]1C ZINC001207750810 1371494567 /nfs/dbraw/zinc/49/45/67/1371494567.db2.gz ZVPPJEAPHJMYJU-RVKKMQEKSA-N 2 1 349.494 3.054 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccccc2F)C[C@H]1C ZINC001207750810 1371494570 /nfs/dbraw/zinc/49/45/70/1371494570.db2.gz ZVPPJEAPHJMYJU-RVKKMQEKSA-N 2 1 349.494 3.054 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1C ZINC001207757597 1371495659 /nfs/dbraw/zinc/49/56/59/1371495659.db2.gz HCIAGRPGGZVGCD-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001207757985 1371495826 /nfs/dbraw/zinc/49/58/26/1371495826.db2.gz QVGHKVCNKOIXCS-SJLPKXTDSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001120208045 1371505027 /nfs/dbraw/zinc/50/50/27/1371505027.db2.gz RVAKIEBGWOHHHD-UHFFFAOYSA-N 2 1 325.541 3.172 20 0 EGADMP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCCCC1 ZINC001120208426 1371505389 /nfs/dbraw/zinc/50/53/89/1371505389.db2.gz ZFMCUVQEPUXHBG-IRXDYDNUSA-N 2 1 341.515 3.018 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]([C@H]2CCC[NH+]2CC2CC2)C1)CC(C)(C)C ZINC001120431611 1371575399 /nfs/dbraw/zinc/57/53/99/1371575399.db2.gz UYMOXEQAOYSXDL-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC2CC2)C1)CC(C)(C)C ZINC001120431611 1371575404 /nfs/dbraw/zinc/57/54/04/1371575404.db2.gz UYMOXEQAOYSXDL-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC2CC2)C1)CC(C)(C)C ZINC001120431611 1371575410 /nfs/dbraw/zinc/57/54/10/1371575410.db2.gz UYMOXEQAOYSXDL-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001120432295 1371575637 /nfs/dbraw/zinc/57/56/37/1371575637.db2.gz ZPQUYPSEKNJZBV-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208073412 1371588009 /nfs/dbraw/zinc/58/80/09/1371588009.db2.gz BGQFRDXQRWYTBU-JJRFVKOUSA-N 2 1 347.547 3.044 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001208074617 1371588632 /nfs/dbraw/zinc/58/86/32/1371588632.db2.gz ZSLFPJBMBIQABG-IAGOWNOFSA-N 2 1 334.508 3.167 20 0 EGADMP C[N@@H+](CCCn1cccn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001208079444 1371590073 /nfs/dbraw/zinc/59/00/73/1371590073.db2.gz TVOXWRUXGZQSHF-UHFFFAOYSA-N 2 1 326.488 3.117 20 0 EGADMP CC[C@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001208114449 1371599251 /nfs/dbraw/zinc/59/92/51/1371599251.db2.gz XKYIILCIIVESFJ-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC001208129477 1371603895 /nfs/dbraw/zinc/60/38/95/1371603895.db2.gz WLESYFMHAOJEBF-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCC2)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001208129477 1371603901 /nfs/dbraw/zinc/60/39/01/1371603901.db2.gz WLESYFMHAOJEBF-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCC2)C[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001208129477 1371603905 /nfs/dbraw/zinc/60/39/05/1371603905.db2.gz WLESYFMHAOJEBF-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001208446926 1371769046 /nfs/dbraw/zinc/76/90/46/1371769046.db2.gz DDXOWLAUVMUQKN-YJBOKZPZSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001208474469 1371781392 /nfs/dbraw/zinc/78/13/92/1371781392.db2.gz LSSDINOXQJDXNQ-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@@H+]1C[C@H]2[C@H](C1)CCCN2C[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001208588918 1371829628 /nfs/dbraw/zinc/82/96/28/1371829628.db2.gz MXYOKCLZDZDZOC-HBMCJLEFSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1C[C@H]2[C@H](C1)CCCN2C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001208588918 1371829632 /nfs/dbraw/zinc/82/96/32/1371829632.db2.gz MXYOKCLZDZDZOC-HBMCJLEFSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1C[C@H]2[C@H](C1)CCCN2C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208588918 1371829635 /nfs/dbraw/zinc/82/96/35/1371829635.db2.gz MXYOKCLZDZDZOC-HBMCJLEFSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1CC2(C1)CCN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)CC2 ZINC001208592346 1371831034 /nfs/dbraw/zinc/83/10/34/1371831034.db2.gz SWNUKOJLTGIRER-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)CC1 ZINC001208593181 1371832791 /nfs/dbraw/zinc/83/27/91/1371832791.db2.gz PKETXRBBOPHURD-UHFFFAOYSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+]1CCC(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001208593181 1371832794 /nfs/dbraw/zinc/83/27/94/1371832794.db2.gz PKETXRBBOPHURD-UHFFFAOYSA-N 3 1 329.532 3.315 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001208593181 1371832798 /nfs/dbraw/zinc/83/27/98/1371832798.db2.gz PKETXRBBOPHURD-UHFFFAOYSA-N 3 1 329.532 3.315 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001208602093 1371836024 /nfs/dbraw/zinc/83/60/24/1371836024.db2.gz YAJZXVFGSCMTFP-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC001208602750 1371836682 /nfs/dbraw/zinc/83/66/82/1371836682.db2.gz MCKTVGJKODHEJO-WBVHZDCISA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)C[C@@H]1CCC[NH+](C)C1 ZINC001208607305 1371838845 /nfs/dbraw/zinc/83/88/45/1371838845.db2.gz LJSPOJFQJXGKOT-CEWLAPEOSA-N 2 1 329.532 3.171 20 0 EGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC001208607305 1371838847 /nfs/dbraw/zinc/83/88/47/1371838847.db2.gz LJSPOJFQJXGKOT-CEWLAPEOSA-N 2 1 329.532 3.171 20 0 EGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208607305 1371838849 /nfs/dbraw/zinc/83/88/49/1371838849.db2.gz LJSPOJFQJXGKOT-CEWLAPEOSA-N 2 1 329.532 3.171 20 0 EGADMP Cc1nc([C@H]2C[C@@H]3CC[NH+](C[C@H]4CCC[N@@H+](C)C4)C[C@H]3O2)sc1C ZINC001208611024 1371839413 /nfs/dbraw/zinc/83/94/13/1371839413.db2.gz TYLXHJZXCCIMJW-WNRNVDISSA-N 2 1 349.544 3.254 20 0 EGADMP Cc1nc([C@H]2C[C@@H]3CC[NH+](C[C@H]4CCC[N@H+](C)C4)C[C@H]3O2)sc1C ZINC001208611024 1371839417 /nfs/dbraw/zinc/83/94/17/1371839417.db2.gz TYLXHJZXCCIMJW-WNRNVDISSA-N 2 1 349.544 3.254 20 0 EGADMP Cc1nc([C@H]2C[C@@H]3CC[N@@H+](C[C@H]4CCC[NH+](C)C4)C[C@H]3O2)sc1C ZINC001208611024 1371839420 /nfs/dbraw/zinc/83/94/20/1371839420.db2.gz TYLXHJZXCCIMJW-WNRNVDISSA-N 2 1 349.544 3.254 20 0 EGADMP Cc1nc([C@H]2C[C@@H]3CC[N@H+](C[C@H]4CCC[NH+](C)C4)C[C@H]3O2)sc1C ZINC001208611024 1371839424 /nfs/dbraw/zinc/83/94/24/1371839424.db2.gz TYLXHJZXCCIMJW-WNRNVDISSA-N 2 1 349.544 3.254 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C1 ZINC001208613074 1371840510 /nfs/dbraw/zinc/84/05/10/1371840510.db2.gz OTQOKGFLBYDIAQ-OKYOBFRVSA-N 2 1 349.563 3.124 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C1 ZINC001208613074 1371840514 /nfs/dbraw/zinc/84/05/14/1371840514.db2.gz OTQOKGFLBYDIAQ-OKYOBFRVSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C1 ZINC001208613074 1371840516 /nfs/dbraw/zinc/84/05/16/1371840516.db2.gz OTQOKGFLBYDIAQ-OKYOBFRVSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C1 ZINC001208613074 1371840519 /nfs/dbraw/zinc/84/05/19/1371840519.db2.gz OTQOKGFLBYDIAQ-OKYOBFRVSA-N 2 1 349.563 3.124 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208615657 1371841628 /nfs/dbraw/zinc/84/16/28/1371841628.db2.gz IMCMIYQCNVHINT-YSIASYRMSA-N 2 1 344.499 3.140 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208615657 1371841630 /nfs/dbraw/zinc/84/16/30/1371841630.db2.gz IMCMIYQCNVHINT-YSIASYRMSA-N 2 1 344.499 3.140 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208615657 1371841635 /nfs/dbraw/zinc/84/16/35/1371841635.db2.gz IMCMIYQCNVHINT-YSIASYRMSA-N 2 1 344.499 3.140 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208615651 1371841891 /nfs/dbraw/zinc/84/18/91/1371841891.db2.gz IMCMIYQCNVHINT-MISYRCLQSA-N 2 1 344.499 3.140 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208615651 1371841895 /nfs/dbraw/zinc/84/18/95/1371841895.db2.gz IMCMIYQCNVHINT-MISYRCLQSA-N 2 1 344.499 3.140 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208615651 1371841900 /nfs/dbraw/zinc/84/19/00/1371841900.db2.gz IMCMIYQCNVHINT-MISYRCLQSA-N 2 1 344.499 3.140 20 0 EGADMP C[N@H+]1CCC[C@H](CN2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616293 1371842810 /nfs/dbraw/zinc/84/28/10/1371842810.db2.gz ZYCHRPKGGDGWBI-BHDDXSALSA-N 2 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC[C@H](CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616293 1371842816 /nfs/dbraw/zinc/84/28/16/1371842816.db2.gz ZYCHRPKGGDGWBI-BHDDXSALSA-N 2 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC[C@H](CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616293 1371842818 /nfs/dbraw/zinc/84/28/18/1371842818.db2.gz ZYCHRPKGGDGWBI-BHDDXSALSA-N 2 1 341.543 3.172 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616293 1371842824 /nfs/dbraw/zinc/84/28/24/1371842824.db2.gz ZYCHRPKGGDGWBI-BHDDXSALSA-N 3 1 341.543 3.172 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616293 1371842827 /nfs/dbraw/zinc/84/28/27/1371842827.db2.gz ZYCHRPKGGDGWBI-BHDDXSALSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616293 1371842832 /nfs/dbraw/zinc/84/28/32/1371842832.db2.gz ZYCHRPKGGDGWBI-BHDDXSALSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616293 1371842838 /nfs/dbraw/zinc/84/28/38/1371842838.db2.gz ZYCHRPKGGDGWBI-BHDDXSALSA-N 3 1 341.543 3.172 20 0 EGADMP CN1CCC[C@H](C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616293 1371842842 /nfs/dbraw/zinc/84/28/42/1371842842.db2.gz ZYCHRPKGGDGWBI-BHDDXSALSA-N 2 1 341.543 3.172 20 0 EGADMP CN1CCC[C@H](C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616293 1371842848 /nfs/dbraw/zinc/84/28/48/1371842848.db2.gz ZYCHRPKGGDGWBI-BHDDXSALSA-N 2 1 341.543 3.172 20 0 EGADMP CN1CCC[C@H](C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616293 1371842851 /nfs/dbraw/zinc/84/28/51/1371842851.db2.gz ZYCHRPKGGDGWBI-BHDDXSALSA-N 2 1 341.543 3.172 20 0 EGADMP CN1CCC[C@H](C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616293 1371842857 /nfs/dbraw/zinc/84/28/57/1371842857.db2.gz ZYCHRPKGGDGWBI-BHDDXSALSA-N 2 1 341.543 3.172 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001121133550 1371862286 /nfs/dbraw/zinc/86/22/86/1371862286.db2.gz CFARULPFFIFDLX-QSEKNOCQSA-N 2 1 349.563 3.026 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001121133666 1371862607 /nfs/dbraw/zinc/86/26/07/1371862607.db2.gz HCHYBQZFHIZZQQ-NDPQDOTCSA-N 2 1 347.547 3.090 20 0 EGADMP C[N@H+](CCCc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC001208821021 1371906032 /nfs/dbraw/zinc/90/60/32/1371906032.db2.gz UNIYIPQLEFJASW-UHFFFAOYSA-N 2 1 325.294 3.408 20 0 EGADMP C[N@@H+](CCCc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC001208821021 1371906036 /nfs/dbraw/zinc/90/60/36/1371906036.db2.gz UNIYIPQLEFJASW-UHFFFAOYSA-N 2 1 325.294 3.408 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001208868376 1371925936 /nfs/dbraw/zinc/92/59/36/1371925936.db2.gz BARIGIYFYPEJRW-UHFFFAOYSA-N 2 1 344.499 3.214 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](C[C@@H]1CCC=CO1)CC2 ZINC001208878459 1371930086 /nfs/dbraw/zinc/93/00/86/1371930086.db2.gz HQAJVYAZJNMFRX-HKUYNNGSSA-N 2 1 346.471 3.028 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+]CC1=CCCCC1)C2 ZINC001121326326 1371937757 /nfs/dbraw/zinc/93/77/57/1371937757.db2.gz YEIJQQBUEWXWFJ-UHFFFAOYSA-N 2 1 347.547 3.234 20 0 EGADMP O[C@@]1(CF)CCCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208931253 1371950629 /nfs/dbraw/zinc/95/06/29/1371950629.db2.gz IPTKQWIKIONRDC-WOJBJXKFSA-N 2 1 334.479 3.085 20 0 EGADMP O[C@@]1(CF)CCCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208931253 1371950631 /nfs/dbraw/zinc/95/06/31/1371950631.db2.gz IPTKQWIKIONRDC-WOJBJXKFSA-N 2 1 334.479 3.085 20 0 EGADMP O[C@@]1(CF)CCCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208931253 1371950637 /nfs/dbraw/zinc/95/06/37/1371950637.db2.gz IPTKQWIKIONRDC-WOJBJXKFSA-N 2 1 334.479 3.085 20 0 EGADMP c1cn(C2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC001208940508 1371953133 /nfs/dbraw/zinc/95/31/33/1371953133.db2.gz SNHJRPUYMJWILW-HXUWFJFHSA-N 2 1 338.499 3.432 20 0 EGADMP Cc1noc([C@@H]2CC[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001208940473 1371953143 /nfs/dbraw/zinc/95/31/43/1371953143.db2.gz RZYBYPXKXQQCOY-RBUKOAKNSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1noc([C@@H]2CC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC001208940473 1371953146 /nfs/dbraw/zinc/95/31/46/1371953146.db2.gz RZYBYPXKXQQCOY-RBUKOAKNSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1noc([C@@H]2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC001208940473 1371953149 /nfs/dbraw/zinc/95/31/49/1371953149.db2.gz RZYBYPXKXQQCOY-RBUKOAKNSA-N 2 1 340.471 3.080 20 0 EGADMP CC[NH+](CC)[C@H]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940491 1371953734 /nfs/dbraw/zinc/95/37/34/1371953734.db2.gz SIGITJFUWSRHDY-RTWAWAEBSA-N 2 1 329.532 3.315 20 0 EGADMP c1cn(C2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC001208940507 1371954564 /nfs/dbraw/zinc/95/45/64/1371954564.db2.gz SNHJRPUYMJWILW-FQEVSTJZSA-N 2 1 338.499 3.432 20 0 EGADMP COC(=O)CC[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208940694 1371956244 /nfs/dbraw/zinc/95/62/44/1371956244.db2.gz VMTJFFXVTZABOW-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)CC[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940694 1371956247 /nfs/dbraw/zinc/95/62/47/1371956247.db2.gz VMTJFFXVTZABOW-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)CC[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940694 1371956250 /nfs/dbraw/zinc/95/62/50/1371956250.db2.gz VMTJFFXVTZABOW-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)C[C@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208943223 1371957289 /nfs/dbraw/zinc/95/72/89/1371957289.db2.gz SCYAFGDSNXAORB-UXHICEINSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)C[C@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208943223 1371957293 /nfs/dbraw/zinc/95/72/93/1371957293.db2.gz SCYAFGDSNXAORB-UXHICEINSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)C[C@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208943223 1371957297 /nfs/dbraw/zinc/95/72/97/1371957297.db2.gz SCYAFGDSNXAORB-UXHICEINSA-N 2 1 344.499 3.174 20 0 EGADMP C[N@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC2(C1)OCCO2 ZINC001208945024 1371958270 /nfs/dbraw/zinc/95/82/70/1371958270.db2.gz QVVZFFMDKVKKHC-VQTJNVASSA-N 2 1 344.499 3.126 20 0 EGADMP C[N@@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC2(C1)OCCO2 ZINC001208945024 1371958275 /nfs/dbraw/zinc/95/82/75/1371958275.db2.gz QVVZFFMDKVKKHC-VQTJNVASSA-N 2 1 344.499 3.126 20 0 EGADMP C[NH+](C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC2(C1)OCCO2 ZINC001208945024 1371958278 /nfs/dbraw/zinc/95/82/78/1371958278.db2.gz QVVZFFMDKVKKHC-VQTJNVASSA-N 2 1 344.499 3.126 20 0 EGADMP C[NH+](C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC2(C1)OCCO2 ZINC001208945024 1371958281 /nfs/dbraw/zinc/95/82/81/1371958281.db2.gz QVVZFFMDKVKKHC-VQTJNVASSA-N 2 1 344.499 3.126 20 0 EGADMP CO[C@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208953298 1371961059 /nfs/dbraw/zinc/96/10/59/1371961059.db2.gz ZWPQPBQULSJTKC-WOZUAGRISA-N 2 1 328.500 3.255 20 0 EGADMP CO[C@H]1CCC[C@@H]2C[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208953298 1371961063 /nfs/dbraw/zinc/96/10/63/1371961063.db2.gz ZWPQPBQULSJTKC-WOZUAGRISA-N 2 1 328.500 3.255 20 0 EGADMP CO[C@H]1CCC[C@@H]2C[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208953298 1371961068 /nfs/dbraw/zinc/96/10/68/1371961068.db2.gz ZWPQPBQULSJTKC-WOZUAGRISA-N 2 1 328.500 3.255 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN3CCCC[C@H]3C[NH+]3CCCC3)C2)cc1 ZINC001208950288 1371961243 /nfs/dbraw/zinc/96/12/43/1371961243.db2.gz RLBKPFFSURCFOV-VXKWHMMOSA-N 2 1 341.543 3.459 20 0 EGADMP CO[C@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208953295 1371961464 /nfs/dbraw/zinc/96/14/64/1371961464.db2.gz ZWPQPBQULSJTKC-CGXNFDGLSA-N 2 1 328.500 3.255 20 0 EGADMP CO[C@H]1CCC[C@@H]2C[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208953295 1371961465 /nfs/dbraw/zinc/96/14/65/1371961465.db2.gz ZWPQPBQULSJTKC-CGXNFDGLSA-N 2 1 328.500 3.255 20 0 EGADMP CO[C@H]1CCC[C@@H]2C[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208953295 1371961466 /nfs/dbraw/zinc/96/14/66/1371961466.db2.gz ZWPQPBQULSJTKC-CGXNFDGLSA-N 2 1 328.500 3.255 20 0 EGADMP Cn1ccc(C2CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208960065 1371963113 /nfs/dbraw/zinc/96/31/13/1371963113.db2.gz TYIGAQGVXSAWGJ-LJQANCHMSA-N 2 1 338.499 3.122 20 0 EGADMP CC[NH+]1CCC([N@H+](C)CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC001209359141 1372077879 /nfs/dbraw/zinc/07/78/79/1372077879.db2.gz UZHYOIHVCFOVQS-UHFFFAOYSA-N 2 1 341.540 3.488 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC001209359141 1372077884 /nfs/dbraw/zinc/07/78/84/1372077884.db2.gz UZHYOIHVCFOVQS-UHFFFAOYSA-N 2 1 341.540 3.488 20 0 EGADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001209414385 1372100053 /nfs/dbraw/zinc/10/00/53/1372100053.db2.gz LVQOJIFOTUWLTQ-RCOXNQKVSA-N 2 1 332.532 3.103 20 0 EGADMP C[C@@H]1C[C@H]1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001209414385 1372100058 /nfs/dbraw/zinc/10/00/58/1372100058.db2.gz LVQOJIFOTUWLTQ-RCOXNQKVSA-N 2 1 332.532 3.103 20 0 EGADMP C[C@@H]1C[C@H]1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001209414385 1372100062 /nfs/dbraw/zinc/10/00/62/1372100062.db2.gz LVQOJIFOTUWLTQ-RCOXNQKVSA-N 2 1 332.532 3.103 20 0 EGADMP COC(=O)c1cccc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC001209454769 1372110482 /nfs/dbraw/zinc/11/04/82/1372110482.db2.gz UBZRGFNJNJTJEQ-IBGZPJMESA-N 2 1 330.472 3.486 20 0 EGADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)c1 ZINC001209454769 1372110484 /nfs/dbraw/zinc/11/04/84/1372110484.db2.gz UBZRGFNJNJTJEQ-IBGZPJMESA-N 2 1 330.472 3.486 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001209691815 1372171434 /nfs/dbraw/zinc/17/14/34/1372171434.db2.gz YVGQVORHRPNIPK-GFOMBABLSA-N 2 1 337.552 3.291 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(Cc3cnccn3)C[C@H]21 ZINC001209780773 1372195423 /nfs/dbraw/zinc/19/54/23/1372195423.db2.gz DLRPNNNQXPWPQN-KFKAGJAMSA-N 2 1 342.512 3.271 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209950662 1372239494 /nfs/dbraw/zinc/23/94/94/1372239494.db2.gz GMRCOOUAISONPP-RTBURBONSA-N 2 1 337.552 3.410 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCC(C)C)C1 ZINC001210183039 1372289758 /nfs/dbraw/zinc/28/97/58/1372289758.db2.gz KGOHXVQNSSZNAG-GOSISDBHSA-N 2 1 325.541 3.125 20 0 EGADMP CCCC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210642709 1372398136 /nfs/dbraw/zinc/39/81/36/1372398136.db2.gz GKPITVAKBLZYLC-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210642708 1372398179 /nfs/dbraw/zinc/39/81/79/1372398179.db2.gz GKPITVAKBLZYLC-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP Nc1cc[nH+]c(-c2cc(NC3=CC[C@H]([NH+]4CCCC4)CC3)ccn2)c1 ZINC001210706347 1372410499 /nfs/dbraw/zinc/41/04/99/1372410499.db2.gz WHQOOMYRJFKFEI-SFHVURJKSA-N 2 1 335.455 3.092 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC001212142332 1372663379 /nfs/dbraw/zinc/66/33/79/1372663379.db2.gz IGVLYRSSJWBZQZ-ZDUSSCGKSA-N 2 1 342.365 3.322 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636259 1373093580 /nfs/dbraw/zinc/09/35/80/1373093580.db2.gz GIYRQHYIWOPQIT-WSTZPKSXSA-N 2 1 347.547 3.044 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001214845338 1373128701 /nfs/dbraw/zinc/12/87/01/1373128701.db2.gz OOQHKOVOLLYAFZ-ODWICZQRSA-N 2 1 349.563 3.147 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855884 1373130313 /nfs/dbraw/zinc/13/03/13/1373130313.db2.gz QLNLQOXGTJTVKP-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001188145943 1388250160 /nfs/dbraw/zinc/25/01/60/1388250160.db2.gz RXZOOWHWSUXZTN-NHQAVIFJSA-N 2 1 343.515 3.226 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1)c1ccccc1 ZINC001188150761 1388250747 /nfs/dbraw/zinc/25/07/47/1388250747.db2.gz IMESJPWFHQUYQU-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP Cc1cc(NC(=O)NCc2ccc(Nc3cc[nH+]cc3)cc2)cc(C)[nH+]1 ZINC001215829918 1373243614 /nfs/dbraw/zinc/24/36/14/1373243614.db2.gz WUMHIFRAUIAXBR-UHFFFAOYSA-N 2 1 347.422 3.003 20 0 EGADMP C[NH2+]Cc1cccc(Nc2ccc(C[NH+]3CCN(C)CC3)cc2)c1F ZINC001216222865 1373284664 /nfs/dbraw/zinc/28/46/64/1373284664.db2.gz YWWCQGIFYROFMC-UHFFFAOYSA-N 2 1 342.462 3.036 20 0 EGADMP CC[C@@H]([NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C)c1ccc(F)cc1 ZINC001129423053 1373382582 /nfs/dbraw/zinc/38/25/82/1373382582.db2.gz OTYJDDNGOFMBHO-RBUKOAKNSA-N 2 1 349.494 3.246 20 0 EGADMP CC1(C)CCC(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001129430744 1373383091 /nfs/dbraw/zinc/38/30/91/1373383091.db2.gz XACIRWVKAGWNQY-LJQANCHMSA-N 2 1 349.563 3.316 20 0 EGADMP Clc1ccc(C[N@@H+]2CC[C@@H](OC[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC001217907742 1373511243 /nfs/dbraw/zinc/51/12/43/1373511243.db2.gz HMJDFHMHBQQHBL-UONOGXRCSA-N 2 1 329.271 3.336 20 0 EGADMP Clc1ccc(C[N@H+]2CC[C@@H](OC[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC001217907742 1373511247 /nfs/dbraw/zinc/51/12/47/1373511247.db2.gz HMJDFHMHBQQHBL-UONOGXRCSA-N 2 1 329.271 3.336 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2cccc(C[NH3+])c2)O1 ZINC001218392721 1373605899 /nfs/dbraw/zinc/60/58/99/1373605899.db2.gz LBHSNBVTVNGIOZ-HXUWFJFHSA-N 2 1 340.467 3.204 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2ccc(C[NH3+])cc2)O1 ZINC001218394667 1373606494 /nfs/dbraw/zinc/60/64/94/1373606494.db2.gz SCKAMQGCOUMABS-HXUWFJFHSA-N 2 1 340.467 3.204 20 0 EGADMP C[C@H]1CC[C@@H](Oc2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[NH2+]1 ZINC001218395115 1373606577 /nfs/dbraw/zinc/60/65/77/1373606577.db2.gz UCRKNQWGUBWMGQ-QFBILLFUSA-N 2 1 337.467 3.159 20 0 EGADMP C[C@H]1CC[C@@H](Oc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[NH2+]1 ZINC001218395115 1373606579 /nfs/dbraw/zinc/60/65/79/1373606579.db2.gz UCRKNQWGUBWMGQ-QFBILLFUSA-N 2 1 337.467 3.159 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188245795 1388274618 /nfs/dbraw/zinc/27/46/18/1388274618.db2.gz AXHCZCXAMRNEQS-PTWHKANQSA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001188245795 1388274623 /nfs/dbraw/zinc/27/46/23/1388274623.db2.gz AXHCZCXAMRNEQS-PTWHKANQSA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001188245795 1388274628 /nfs/dbraw/zinc/27/46/28/1388274628.db2.gz AXHCZCXAMRNEQS-PTWHKANQSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221773731 1373792290 /nfs/dbraw/zinc/79/22/90/1373792290.db2.gz BKJZGHSOZWNCRQ-VAMGGRTRSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001221962400 1373809035 /nfs/dbraw/zinc/80/90/35/1373809035.db2.gz BCWMEYSSYANPLW-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC001131822333 1373823874 /nfs/dbraw/zinc/82/38/74/1373823874.db2.gz NIEOSYNNLJPXLE-KRWDZBQOSA-N 2 1 331.504 3.108 20 0 EGADMP c1ccc(C2(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)CCOCC2)cc1 ZINC001222385142 1373831348 /nfs/dbraw/zinc/83/13/48/1373831348.db2.gz GPKAMPUATIPFGX-OAQYLSRUSA-N 2 1 328.500 3.343 20 0 EGADMP c1ccc(C2(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)CCOCC2)cc1 ZINC001222385142 1373831355 /nfs/dbraw/zinc/83/13/55/1373831355.db2.gz GPKAMPUATIPFGX-OAQYLSRUSA-N 2 1 328.500 3.343 20 0 EGADMP Clc1cccc(C[N@@H+]2CCOCC3(CC[NH2+]CC3)C2)c1Cl ZINC001222400620 1373837192 /nfs/dbraw/zinc/83/71/92/1373837192.db2.gz BKSWMMVUOXUWGD-UHFFFAOYSA-N 2 1 329.271 3.195 20 0 EGADMP Clc1cccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c1Cl ZINC001222400620 1373837195 /nfs/dbraw/zinc/83/71/95/1373837195.db2.gz BKSWMMVUOXUWGD-UHFFFAOYSA-N 2 1 329.271 3.195 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCC1 ZINC001326898268 1388342909 /nfs/dbraw/zinc/34/29/09/1388342909.db2.gz GGFINTBNDDFDAP-LJQANCHMSA-N 2 1 349.563 3.458 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[N@@H+](CCC3CCCC3)[C@H]2C1 ZINC001223954797 1375048776 /nfs/dbraw/zinc/04/87/76/1375048776.db2.gz DDEFCZMLMXTXKV-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001224796187 1375076977 /nfs/dbraw/zinc/07/69/77/1375076977.db2.gz NKTDSCYEODAOIR-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1CC[NH+](CCC2CCCCC2)CC1 ZINC001225087624 1375092429 /nfs/dbraw/zinc/09/24/29/1375092429.db2.gz JWERLSRNGABALY-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1CC[NH+](CCC2CCCCC2)CC1 ZINC001225228118 1375098417 /nfs/dbraw/zinc/09/84/17/1375098417.db2.gz CMKYECWMNHUBDE-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CCCCC[NH+]1CCC(CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001225652711 1375139156 /nfs/dbraw/zinc/13/91/56/1375139156.db2.gz JTPNVHNTVWBLGO-UHFFFAOYSA-N 2 1 345.531 3.137 20 0 EGADMP CCCCC[NH+]1CCC(CNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001225652711 1375139161 /nfs/dbraw/zinc/13/91/61/1375139161.db2.gz JTPNVHNTVWBLGO-UHFFFAOYSA-N 2 1 345.531 3.137 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CC1CCCCC1 ZINC001132105465 1375150031 /nfs/dbraw/zinc/15/00/31/1375150031.db2.gz HLEOUUIHPHNLRO-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCCC1CCCC1 ZINC001132105935 1375151656 /nfs/dbraw/zinc/15/16/56/1375151656.db2.gz OPVKGRFTCVHZCU-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCCC1CCCC1 ZINC001132105935 1375151659 /nfs/dbraw/zinc/15/16/59/1375151659.db2.gz OPVKGRFTCVHZCU-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCCC1CCCC1 ZINC001132105935 1375151663 /nfs/dbraw/zinc/15/16/63/1375151663.db2.gz OPVKGRFTCVHZCU-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCCC1CCC1 ZINC001132107476 1375151842 /nfs/dbraw/zinc/15/18/42/1375151842.db2.gz ZGLKVHPCQMKCRS-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132150169 1375170478 /nfs/dbraw/zinc/17/04/78/1375170478.db2.gz OSIKBAFLTNUSMQ-ZWKOTPCHSA-N 2 1 335.536 3.164 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132157565 1375175846 /nfs/dbraw/zinc/17/58/46/1375175846.db2.gz QUNDDMVMEHHXMU-RDJZCZTQSA-N 2 1 328.460 3.107 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@H+]1CCCCCF ZINC001132173075 1375187469 /nfs/dbraw/zinc/18/74/69/1375187469.db2.gz HADOQNXYROONCF-WBVHZDCISA-N 2 1 346.450 3.057 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132174412 1375188346 /nfs/dbraw/zinc/18/83/46/1375188346.db2.gz UXOKTEJJVYBYOG-HRMTXBTBSA-N 2 1 340.471 3.273 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@H+]1CCC1CC1 ZINC001132203377 1375207292 /nfs/dbraw/zinc/20/72/92/1375207292.db2.gz PHDWPBACOYUPKP-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@H+]1CCC1CC1 ZINC001132207691 1375210108 /nfs/dbraw/zinc/21/01/08/1375210108.db2.gz VWIPGJODHLEYQG-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[NH+]1CCC1CC1 ZINC001132207691 1375210113 /nfs/dbraw/zinc/21/01/13/1375210113.db2.gz VWIPGJODHLEYQG-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[NH+]1CCC1CC1 ZINC001132207691 1375210120 /nfs/dbraw/zinc/21/01/20/1375210120.db2.gz VWIPGJODHLEYQG-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1cc(C)cc(C[N@@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)c1 ZINC001132249455 1375244261 /nfs/dbraw/zinc/24/42/61/1375244261.db2.gz PCBCSMZLYLCMND-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CC1CCC2(CC2)CC1 ZINC001132270954 1375258902 /nfs/dbraw/zinc/25/89/02/1375258902.db2.gz XXCXCBXKQCTLHZ-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309829 1375287827 /nfs/dbraw/zinc/28/78/27/1375287827.db2.gz FDCLTJIEVVTBLW-QZTJIDSGSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309829 1375287830 /nfs/dbraw/zinc/28/78/30/1375287830.db2.gz FDCLTJIEVVTBLW-QZTJIDSGSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309829 1375287837 /nfs/dbraw/zinc/28/78/37/1375287837.db2.gz FDCLTJIEVVTBLW-QZTJIDSGSA-N 2 1 339.568 3.370 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001226773498 1375330292 /nfs/dbraw/zinc/33/02/92/1375330292.db2.gz DYRNRBDQFSYHGU-KURKYZTESA-N 2 1 346.519 3.358 20 0 EGADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](C/C=C\Cl)C1 ZINC001132364901 1375330834 /nfs/dbraw/zinc/33/08/34/1375330834.db2.gz GOZJUYBYIDDDGN-BEBBCNLGSA-N 2 1 343.943 3.220 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](C/C=C\Cl)C1 ZINC001132364901 1375330842 /nfs/dbraw/zinc/33/08/42/1375330842.db2.gz GOZJUYBYIDDDGN-BEBBCNLGSA-N 2 1 343.943 3.220 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](C/C=C\Cl)C1 ZINC001132364901 1375330849 /nfs/dbraw/zinc/33/08/49/1375330849.db2.gz GOZJUYBYIDDDGN-BEBBCNLGSA-N 2 1 343.943 3.220 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](C/C=C\Cl)C1 ZINC001132364901 1375330854 /nfs/dbraw/zinc/33/08/54/1375330854.db2.gz GOZJUYBYIDDDGN-BEBBCNLGSA-N 2 1 343.943 3.220 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001132376951 1375338984 /nfs/dbraw/zinc/33/89/84/1375338984.db2.gz RZPDRKJLTBLLRW-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001132416895 1375364366 /nfs/dbraw/zinc/36/43/66/1375364366.db2.gz ODLQPARSUYQBSB-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001132425661 1375373798 /nfs/dbraw/zinc/37/37/98/1375373798.db2.gz KJZQZEAOTHQQKK-IAGOWNOFSA-N 2 1 346.519 3.311 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001132425661 1375373804 /nfs/dbraw/zinc/37/38/04/1375373804.db2.gz KJZQZEAOTHQQKK-IAGOWNOFSA-N 2 1 346.519 3.311 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(C)cc2)C1 ZINC001132435016 1375379325 /nfs/dbraw/zinc/37/93/25/1375379325.db2.gz AHKNKECNPQXTHH-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C)cc2)C1 ZINC001132435016 1375379330 /nfs/dbraw/zinc/37/93/30/1375379330.db2.gz AHKNKECNPQXTHH-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)cc2)C1 ZINC001132435016 1375379335 /nfs/dbraw/zinc/37/93/35/1375379335.db2.gz AHKNKECNPQXTHH-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C)cc2C)C1 ZINC001132440901 1375384559 /nfs/dbraw/zinc/38/45/59/1375384559.db2.gz HRYJIOUZHZVVNZ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2C)C1 ZINC001132440901 1375384569 /nfs/dbraw/zinc/38/45/69/1375384569.db2.gz HRYJIOUZHZVVNZ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001132440901 1375384573 /nfs/dbraw/zinc/38/45/73/1375384573.db2.gz HRYJIOUZHZVVNZ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccccc2CC)C1 ZINC001132440560 1375385091 /nfs/dbraw/zinc/38/50/91/1375385091.db2.gz CIBUAHHMCZLDEE-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2CC)C1 ZINC001132440560 1375385094 /nfs/dbraw/zinc/38/50/94/1375385094.db2.gz CIBUAHHMCZLDEE-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2CC)C1 ZINC001132440560 1375385097 /nfs/dbraw/zinc/38/50/97/1375385097.db2.gz CIBUAHHMCZLDEE-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001132441200 1375385163 /nfs/dbraw/zinc/38/51/63/1375385163.db2.gz LZTLEHXWYJDRTJ-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132441200 1375385168 /nfs/dbraw/zinc/38/51/68/1375385168.db2.gz LZTLEHXWYJDRTJ-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132441200 1375385169 /nfs/dbraw/zinc/38/51/69/1375385169.db2.gz LZTLEHXWYJDRTJ-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001227150196 1375397735 /nfs/dbraw/zinc/39/77/35/1375397735.db2.gz MGVYINSVIVPVMG-IAGOWNOFSA-N 2 1 337.552 3.170 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132494966 1375424740 /nfs/dbraw/zinc/42/47/40/1375424740.db2.gz ZMNLOHUXGJQGAP-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1Cc1ccsc1 ZINC001132517402 1375436043 /nfs/dbraw/zinc/43/60/43/1375436043.db2.gz BXNHLDJGTHUTJN-AEFFLSMTSA-N 2 1 349.544 3.093 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132525660 1375441902 /nfs/dbraw/zinc/44/19/02/1375441902.db2.gz TVCGAQMTHVXPDL-OALUTQOASA-N 2 1 337.552 3.412 20 0 EGADMP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001227728957 1375467511 /nfs/dbraw/zinc/46/75/11/1375467511.db2.gz RVJJRHDLDLIEMI-RTBURBONSA-N 2 1 337.552 3.314 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001228053918 1375512987 /nfs/dbraw/zinc/51/29/87/1375512987.db2.gz LKPGXBNAFMZCAQ-QGZVFWFLSA-N 2 1 345.531 3.367 20 0 EGADMP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001228112778 1375519515 /nfs/dbraw/zinc/51/95/15/1375519515.db2.gz JZYTYFXVXRIBIS-PXDRNWIDSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC2CCCC2)C1 ZINC001228604038 1375612185 /nfs/dbraw/zinc/61/21/85/1375612185.db2.gz WDOSROOTQBUWBK-MISYRCLQSA-N 2 1 349.563 3.316 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001228618255 1375619264 /nfs/dbraw/zinc/61/92/64/1375619264.db2.gz HNNIKNUFVIRAEX-PJHKVULZSA-N 2 1 335.536 3.092 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001228623628 1375621253 /nfs/dbraw/zinc/62/12/53/1375621253.db2.gz GFQSZOSQIHJOSE-HNGSOEQISA-N 2 1 337.552 3.338 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001132938604 1375658144 /nfs/dbraw/zinc/65/81/44/1375658144.db2.gz WJZUUCRZDFBRDI-DLBZAZTESA-N 2 1 339.568 3.227 20 0 EGADMP CCCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133122722 1375787732 /nfs/dbraw/zinc/78/77/32/1375787732.db2.gz UQQGMDDYYAEYLO-ROUUACIJSA-N 2 1 339.568 3.229 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133142882 1375804354 /nfs/dbraw/zinc/80/43/54/1375804354.db2.gz PWEFLLOROMAVJA-QZTJIDSGSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133147983 1375808039 /nfs/dbraw/zinc/80/80/39/1375808039.db2.gz ZKQQOJOISCAWDM-QZTJIDSGSA-N 2 1 348.535 3.127 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133225846 1375853736 /nfs/dbraw/zinc/85/37/36/1375853736.db2.gz KPHUIUMFBNELAF-ZWKOTPCHSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)C ZINC001229853784 1375904572 /nfs/dbraw/zinc/90/45/72/1375904572.db2.gz VDJDWNIZMXNJMA-QZTJIDSGSA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133347212 1375935967 /nfs/dbraw/zinc/93/59/67/1375935967.db2.gz UVLBTVAUCDZIPY-ZWKOTPCHSA-N 2 1 339.568 3.227 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC001230113154 1375945492 /nfs/dbraw/zinc/94/54/92/1375945492.db2.gz UKWZKIPSIWTHCM-YRNVUSSQSA-N 2 1 343.515 3.012 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001230274638 1375981021 /nfs/dbraw/zinc/98/10/21/1375981021.db2.gz DETJNGXMAPDYNN-RTLRUIJZSA-N 2 1 335.536 3.234 20 0 EGADMP CCCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001230623011 1376105197 /nfs/dbraw/zinc/10/51/97/1376105197.db2.gz UUSJDZJRKNCWIU-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)c1cccc2ccccc21 ZINC001133834479 1376223924 /nfs/dbraw/zinc/22/39/24/1376223924.db2.gz YZIZELWXHDRYOP-IAGOWNOFSA-N 2 1 339.483 3.091 20 0 EGADMP COc1cc(Cl)c(C[N@H+](C)CC2CC[NH+](C)CC2)c(OC)c1 ZINC001231697371 1376302070 /nfs/dbraw/zinc/30/20/70/1376302070.db2.gz SXXJOJXFJKZXCN-UHFFFAOYSA-N 2 1 326.868 3.131 20 0 EGADMP COc1cc(Cl)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c(OC)c1 ZINC001231697371 1376302078 /nfs/dbraw/zinc/30/20/78/1376302078.db2.gz SXXJOJXFJKZXCN-UHFFFAOYSA-N 2 1 326.868 3.131 20 0 EGADMP COc1ccc(CC[N@@H+](C)Cc2cc3c[nH+]ccc3[nH]2)cc1OC ZINC001232011554 1376382259 /nfs/dbraw/zinc/38/22/59/1376382259.db2.gz MABYGPGCEUWGSJ-UHFFFAOYSA-N 2 1 325.412 3.255 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015151 1376383782 /nfs/dbraw/zinc/38/37/82/1376383782.db2.gz BYBLQPQHMYASAH-HIFRSBDPSA-N 2 1 344.459 3.441 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cncc(O)c1)CC2 ZINC001232040717 1376387737 /nfs/dbraw/zinc/38/77/37/1376387737.db2.gz NEBXVGLGGLZHHT-LJQANCHMSA-N 2 1 341.455 3.257 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC001232144655 1376408909 /nfs/dbraw/zinc/40/89/09/1376408909.db2.gz MOTXTIUSEJOSAR-INIZCTEOSA-N 2 1 348.384 3.167 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(F)cc(C[NH+](C)C)c2)CC1 ZINC001232145928 1376409342 /nfs/dbraw/zinc/40/93/42/1376409342.db2.gz DYGGNPVKCANFIX-UHFFFAOYSA-N 3 1 335.511 3.440 20 0 EGADMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccc(N)nc3)C[C@@H]21 ZINC001232367867 1376451839 /nfs/dbraw/zinc/45/18/39/1376451839.db2.gz NHKOFKXFEODRCB-ZJOUEHCJSA-N 2 1 336.483 3.274 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccc(N)nc3)C[C@@H]21 ZINC001232367867 1376451844 /nfs/dbraw/zinc/45/18/44/1376451844.db2.gz NHKOFKXFEODRCB-ZJOUEHCJSA-N 2 1 336.483 3.274 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(N)nc3)C[C@@H]21 ZINC001232367867 1376451850 /nfs/dbraw/zinc/45/18/50/1376451850.db2.gz NHKOFKXFEODRCB-ZJOUEHCJSA-N 2 1 336.483 3.274 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(N)nc3)C[C@@H]21 ZINC001232367867 1376451856 /nfs/dbraw/zinc/45/18/56/1376451856.db2.gz NHKOFKXFEODRCB-ZJOUEHCJSA-N 2 1 336.483 3.274 20 0 EGADMP C[N@H+](Cc1cccnc1NC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001232540400 1376479345 /nfs/dbraw/zinc/47/93/45/1376479345.db2.gz ZIRDOPAHAJZLIO-UHFFFAOYSA-N 2 1 348.491 3.202 20 0 EGADMP Oc1ccc2[nH]cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2c1 ZINC001232865527 1376527108 /nfs/dbraw/zinc/52/71/08/1376527108.db2.gz FKJHPABWRDYHJF-OALUTQOASA-N 2 1 347.462 3.437 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001134564283 1376597373 /nfs/dbraw/zinc/59/73/73/1376597373.db2.gz YMZDOXLYEJKSBJ-CQSZACIVSA-N 2 1 348.878 3.127 20 0 EGADMP CCc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001134608032 1376622596 /nfs/dbraw/zinc/62/25/96/1376622596.db2.gz PRTYWHUNLDZRKD-IAGOWNOFSA-N 2 1 345.531 3.106 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612799 1376624053 /nfs/dbraw/zinc/62/40/53/1376624053.db2.gz QGYRASXZJVZUNR-IAGOWNOFSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCCc2ccccc21 ZINC001134766858 1376709718 /nfs/dbraw/zinc/70/97/18/1376709718.db2.gz OCIYSMJZOONMFK-VQTJNVASSA-N 2 1 343.515 3.033 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001134765934 1376710441 /nfs/dbraw/zinc/71/04/41/1376710441.db2.gz AOHJALPSGAIYDU-PKOBYXMFSA-N 2 1 331.504 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001134773476 1376714050 /nfs/dbraw/zinc/71/40/50/1376714050.db2.gz PLMPMQQAYSJBLV-SJORKVTESA-N 2 1 337.552 3.480 20 0 EGADMP CC(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134790936 1376724317 /nfs/dbraw/zinc/72/43/17/1376724317.db2.gz LHEMUWYAOOECRZ-HZPDHXFCSA-N 2 1 325.541 3.168 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001234216370 1376787678 /nfs/dbraw/zinc/78/76/78/1376787678.db2.gz WMTHWBCSYAOCMB-YZBXUTEPSA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001234216370 1376787685 /nfs/dbraw/zinc/78/76/85/1376787685.db2.gz WMTHWBCSYAOCMB-YZBXUTEPSA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001234216370 1376787688 /nfs/dbraw/zinc/78/76/88/1376787688.db2.gz WMTHWBCSYAOCMB-YZBXUTEPSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)(C)CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189135942 1388464534 /nfs/dbraw/zinc/46/45/34/1388464534.db2.gz SYQRRYIYHZWYEY-ZWKOTPCHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189135942 1388464539 /nfs/dbraw/zinc/46/45/39/1388464539.db2.gz SYQRRYIYHZWYEY-ZWKOTPCHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189135942 1388464543 /nfs/dbraw/zinc/46/45/43/1388464543.db2.gz SYQRRYIYHZWYEY-ZWKOTPCHSA-N 2 1 349.563 3.077 20 0 EGADMP CN(c1ccc(F)cc1)c1ccc(C[N@@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235025925 1376830075 /nfs/dbraw/zinc/83/00/75/1376830075.db2.gz GQIULHYPRWLYIY-UHFFFAOYSA-N 2 1 325.431 3.389 20 0 EGADMP CN(c1ccc(F)cc1)c1ccc(C[N@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235025925 1376830081 /nfs/dbraw/zinc/83/00/81/1376830081.db2.gz GQIULHYPRWLYIY-UHFFFAOYSA-N 2 1 325.431 3.389 20 0 EGADMP Nc1ccc(OC(F)(F)F)cc1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189331 1376855850 /nfs/dbraw/zinc/85/58/50/1376855850.db2.gz HWIOZICDEVLRNM-UHFFFAOYSA-N 2 1 343.393 3.276 20 0 EGADMP Clc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)nc1 ZINC001235191960 1376859112 /nfs/dbraw/zinc/85/91/12/1376859112.db2.gz ZRQYWIMXYBNIGB-SJORKVTESA-N 2 1 327.859 3.443 20 0 EGADMP CN(C)c1ccnc(Cl)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235428596 1376870063 /nfs/dbraw/zinc/87/00/63/1376870063.db2.gz QVFREQWIAGPSPA-CABCVRRESA-N 2 1 336.911 3.013 20 0 EGADMP Fc1cccc(CN2CC[C@]23CCC[N@@H+](CCC2CC[NH2+]CC2)C3)c1 ZINC001235630319 1376879454 /nfs/dbraw/zinc/87/94/54/1376879454.db2.gz YYQPTQWPXVZGFI-NRFANRHFSA-N 2 1 345.506 3.256 20 0 EGADMP CC[N@H+](Cc1cc(OC(F)(F)F)ccc1OC)C1CC[NH2+]CC1 ZINC001235762990 1376889921 /nfs/dbraw/zinc/88/99/21/1376889921.db2.gz ZCYQMZMWHGQZJB-UHFFFAOYSA-N 2 1 332.366 3.168 20 0 EGADMP CC[N@@H+](Cc1cc(OC(F)(F)F)ccc1OC)C1CC[NH2+]CC1 ZINC001235762990 1376889924 /nfs/dbraw/zinc/88/99/24/1376889924.db2.gz ZCYQMZMWHGQZJB-UHFFFAOYSA-N 2 1 332.366 3.168 20 0 EGADMP CC(C)C[C@H]1CN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001235878771 1376908574 /nfs/dbraw/zinc/90/85/74/1376908574.db2.gz OXMYLWVNYNRYKA-SFTDATJTSA-N 2 1 329.532 3.219 20 0 EGADMP C[N@@H+](CC[C@H]1C[NH2+]CCO1)Cc1ccccc1Oc1ccccc1 ZINC001235969664 1376923995 /nfs/dbraw/zinc/92/39/95/1376923995.db2.gz TXPWSYFKXPXQPZ-IBGZPJMESA-N 2 1 326.440 3.289 20 0 EGADMP Cc1nc([C@H]2C[C@@H]3CC[N@@H+]([C@H]4CC[NH2+][C@@H](C)C4)C[C@H]3O2)sc1C ZINC001246714694 1377053561 /nfs/dbraw/zinc/05/35/61/1377053561.db2.gz MEQWVBVUTCZPRF-QICMWSIFSA-N 2 1 335.517 3.052 20 0 EGADMP Cc1nc([C@H]2C[C@@H]3CC[N@H+]([C@H]4CC[NH2+][C@@H](C)C4)C[C@H]3O2)sc1C ZINC001246714694 1377053563 /nfs/dbraw/zinc/05/35/63/1377053563.db2.gz MEQWVBVUTCZPRF-QICMWSIFSA-N 2 1 335.517 3.052 20 0 EGADMP CC(C)CN1c2ccccc2[C@@H]2C[N@@H+]([C@H]3CC[NH2+][C@H](C)C3)CC[C@@H]21 ZINC001246761295 1377053936 /nfs/dbraw/zinc/05/39/36/1377053936.db2.gz AHQMZEYXSPNDTB-IGGJEDBVSA-N 2 1 327.516 3.461 20 0 EGADMP C[C@@H]1CC[C@@H]([NH3+])CN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246819990 1377054988 /nfs/dbraw/zinc/05/49/88/1377054988.db2.gz HIHNUXSCURNAEC-JFHUYLGKSA-N 2 1 327.516 3.384 20 0 EGADMP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246822407 1377055229 /nfs/dbraw/zinc/05/52/29/1377055229.db2.gz APFHJIDQTYHNNR-ARAZSQDJSA-N 2 1 334.504 3.102 20 0 EGADMP COc1cccc(OCC2CC[NH+]([C@@H]3CCC[N@@H+](C)CC3)CC2)c1 ZINC001254529862 1377107020 /nfs/dbraw/zinc/10/70/20/1377107020.db2.gz RYVZBYJVCVPMKK-GOSISDBHSA-N 2 1 332.488 3.270 20 0 EGADMP CC[N@@H+]([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[NH+](C)CC1 ZINC001254530078 1377107205 /nfs/dbraw/zinc/10/72/05/1377107205.db2.gz UPMFWLMHGNUQGE-IRXDYDNUSA-N 2 1 339.524 3.192 20 0 EGADMP CC[NH+]([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C)CC1 ZINC001254530078 1377107208 /nfs/dbraw/zinc/10/72/08/1377107208.db2.gz UPMFWLMHGNUQGE-IRXDYDNUSA-N 2 1 339.524 3.192 20 0 EGADMP CC[NH+]([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254530078 1377107210 /nfs/dbraw/zinc/10/72/10/1377107210.db2.gz UPMFWLMHGNUQGE-IRXDYDNUSA-N 2 1 339.524 3.192 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001135478172 1377111451 /nfs/dbraw/zinc/11/14/51/1377111451.db2.gz ZRVAMCCYGIDPIL-CVEARBPZSA-N 2 1 337.552 3.027 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477416 1377111818 /nfs/dbraw/zinc/11/18/18/1377111818.db2.gz VBQCVQMSYLCMIY-IAGOWNOFSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)CC[C@@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001256366271 1377111893 /nfs/dbraw/zinc/11/18/93/1377111893.db2.gz WCAYNQIFUYSPEV-QGZVFWFLSA-N 2 1 348.535 3.114 20 0 EGADMP CC(C)CC[C@@H](C)[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001256366271 1377111894 /nfs/dbraw/zinc/11/18/94/1377111894.db2.gz WCAYNQIFUYSPEV-QGZVFWFLSA-N 2 1 348.535 3.114 20 0 EGADMP CC(C)CC[C@@H](C)[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001256366271 1377111895 /nfs/dbraw/zinc/11/18/95/1377111895.db2.gz WCAYNQIFUYSPEV-QGZVFWFLSA-N 2 1 348.535 3.114 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C/Cl ZINC001135600759 1377159214 /nfs/dbraw/zinc/15/92/14/1377159214.db2.gz MPZGTLUFQZYUHL-IPKOWEFYSA-N 2 1 340.899 3.022 20 0 EGADMP CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678066 1377181011 /nfs/dbraw/zinc/18/10/11/1377181011.db2.gz BCLFWKACGPTTHH-SEDCNLEPSA-N 2 1 334.508 3.201 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC001135679977 1377181811 /nfs/dbraw/zinc/18/18/11/1377181811.db2.gz PWUNZVRWMWOGHY-SJORKVTESA-N 2 1 348.535 3.425 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001135858485 1377236861 /nfs/dbraw/zinc/23/68/61/1377236861.db2.gz YPJLEEYXXLXMPV-HZPDHXFCSA-N 2 1 345.487 3.148 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001135861917 1377238722 /nfs/dbraw/zinc/23/87/22/1377238722.db2.gz YUHVSNFVEPHWHK-SJORKVTESA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2c(C)cccc2C)C1 ZINC001266246088 1377244493 /nfs/dbraw/zinc/24/44/93/1377244493.db2.gz KTZAHZQHJCXDKC-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2c(C)cccc2C)C1 ZINC001266246088 1377244497 /nfs/dbraw/zinc/24/44/97/1377244497.db2.gz KTZAHZQHJCXDKC-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(C)cccc2C)C1 ZINC001266246088 1377244501 /nfs/dbraw/zinc/24/45/01/1377244501.db2.gz KTZAHZQHJCXDKC-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135882671 1377249140 /nfs/dbraw/zinc/24/91/40/1377249140.db2.gz QVOCGMGHRWWADQ-ZWKOTPCHSA-N 2 1 333.520 3.018 20 0 EGADMP C[NH+](C)CCCC(=O)NCC[N@@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC001266312858 1377269669 /nfs/dbraw/zinc/26/96/69/1377269669.db2.gz AXTDEJBODHJQOM-UHFFFAOYSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(CC)c1 ZINC001135992871 1377291539 /nfs/dbraw/zinc/29/15/39/1377291539.db2.gz WBHJQGGPPPCXMZ-MSOLQXFVSA-N 2 1 347.547 3.354 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1csc(C)c1 ZINC001135996443 1377292244 /nfs/dbraw/zinc/29/22/44/1377292244.db2.gz SWTOBXAUGQSOKW-GJZGRUSLSA-N 2 1 339.549 3.161 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001266470002 1377315901 /nfs/dbraw/zinc/31/59/01/1377315901.db2.gz XQZKTWDPZNIFMV-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001266470002 1377315907 /nfs/dbraw/zinc/31/59/07/1377315907.db2.gz XQZKTWDPZNIFMV-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001266470002 1377315914 /nfs/dbraw/zinc/31/59/14/1377315914.db2.gz XQZKTWDPZNIFMV-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001267547103 1377455474 /nfs/dbraw/zinc/45/54/74/1377455474.db2.gz UQFUDCFWOSXEGR-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP CCCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001267547103 1377455475 /nfs/dbraw/zinc/45/54/75/1377455475.db2.gz UQFUDCFWOSXEGR-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP CCCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001267547103 1377455476 /nfs/dbraw/zinc/45/54/76/1377455476.db2.gz UQFUDCFWOSXEGR-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2-n2cccn2)CC1 ZINC001137098063 1377477590 /nfs/dbraw/zinc/47/75/90/1377477590.db2.gz LMHFXPMXRWNBAB-UHFFFAOYSA-N 2 1 326.488 3.425 20 0 EGADMP c1nc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC001137599497 1377570496 /nfs/dbraw/zinc/57/04/96/1377570496.db2.gz XBBPDFMGINLYRW-ZWKOTPCHSA-N 2 1 327.497 3.487 20 0 EGADMP c1nc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC001137599497 1377570498 /nfs/dbraw/zinc/57/04/98/1377570498.db2.gz XBBPDFMGINLYRW-ZWKOTPCHSA-N 2 1 327.497 3.487 20 0 EGADMP c1nc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC001137599497 1377570501 /nfs/dbraw/zinc/57/05/01/1377570501.db2.gz XBBPDFMGINLYRW-ZWKOTPCHSA-N 2 1 327.497 3.487 20 0 EGADMP c1nc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC001137599497 1377570504 /nfs/dbraw/zinc/57/05/04/1377570504.db2.gz XBBPDFMGINLYRW-ZWKOTPCHSA-N 2 1 327.497 3.487 20 0 EGADMP CCOC(=O)C1(C)CC[NH+](Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138547561 1377739255 /nfs/dbraw/zinc/73/92/55/1377739255.db2.gz PJJOYFQSWGMXEW-UHFFFAOYSA-N 2 1 341.455 3.346 20 0 EGADMP CO[C@H]1CCC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C[C@@H]21 ZINC001138549457 1377740923 /nfs/dbraw/zinc/74/09/23/1377740923.db2.gz PYPDTBOSJIARMS-HOJAQTOUSA-N 2 1 325.456 3.428 20 0 EGADMP CO[C@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C[C@@H]21 ZINC001138549457 1377740924 /nfs/dbraw/zinc/74/09/24/1377740924.db2.gz PYPDTBOSJIARMS-HOJAQTOUSA-N 2 1 325.456 3.428 20 0 EGADMP Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)o1 ZINC001138550616 1377741012 /nfs/dbraw/zinc/74/10/12/1377741012.db2.gz ZSIQODXPICHKLK-QGZVFWFLSA-N 2 1 337.427 3.252 20 0 EGADMP Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)o1 ZINC001138550616 1377741013 /nfs/dbraw/zinc/74/10/13/1377741013.db2.gz ZSIQODXPICHKLK-QGZVFWFLSA-N 2 1 337.427 3.252 20 0 EGADMP C[NH2+][C@H](C)CC[NH2+]Cc1cccc(Br)c1OC(F)F ZINC001327416356 1388515190 /nfs/dbraw/zinc/51/51/90/1388515190.db2.gz RFOFKEZLMRHDLX-SECBINFHSA-N 2 1 337.208 3.138 20 0 EGADMP Cn1ccc2ccc(C[N@@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)cc21 ZINC001139204590 1377851234 /nfs/dbraw/zinc/85/12/34/1377851234.db2.gz IKZYKAJZNWPHLE-OYRHEFFESA-N 2 1 346.478 3.137 20 0 EGADMP CN1CCN(c2ncc(C[N@@H+](C)[C@H]3CCc4ccccc43)s2)CC1 ZINC001139326268 1377868891 /nfs/dbraw/zinc/86/88/91/1377868891.db2.gz OHSGQXFOUJDZDM-SFHVURJKSA-N 2 1 342.512 3.014 20 0 EGADMP C[N@H+](CCF)Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139516025 1377895417 /nfs/dbraw/zinc/89/54/17/1377895417.db2.gz QUPZQLAXWIVGBV-UHFFFAOYSA-N 2 1 341.474 3.410 20 0 EGADMP C[N@@H+](CCF)Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139516025 1377895419 /nfs/dbraw/zinc/89/54/19/1377895419.db2.gz QUPZQLAXWIVGBV-UHFFFAOYSA-N 2 1 341.474 3.410 20 0 EGADMP Fc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ccn1 ZINC001139832486 1377959427 /nfs/dbraw/zinc/95/94/27/1377959427.db2.gz DUVRUKYZDKEZLT-UHFFFAOYSA-N 2 1 340.446 3.104 20 0 EGADMP CC[C@@H](C)N1CC[C@@]2(CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272716522 1378079760 /nfs/dbraw/zinc/07/97/60/1378079760.db2.gz GSGTUAGPAXMADB-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP Cc1c(F)cc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1Br ZINC001140557540 1378085252 /nfs/dbraw/zinc/08/52/52/1378085252.db2.gz OBOKAXULXAFXBA-KGLIPLIRSA-N 2 1 341.268 3.280 20 0 EGADMP CCCC[C@@H](CC)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC1)C2 ZINC001273363849 1378099909 /nfs/dbraw/zinc/09/99/09/1378099909.db2.gz QLVKDIZQNLOAPG-CTNGQTDRSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[C@@H](CC)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC1)C2 ZINC001273363849 1378099911 /nfs/dbraw/zinc/09/99/11/1378099911.db2.gz QLVKDIZQNLOAPG-CTNGQTDRSA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH+](C)Cc1ccc(C)cc1 ZINC001273591599 1378105154 /nfs/dbraw/zinc/10/51/54/1378105154.db2.gz XQKPDCXAHBJSJA-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CCC[N@H+](C)Cc1ccc(C)cc1 ZINC001273591599 1378105158 /nfs/dbraw/zinc/10/51/58/1378105158.db2.gz XQKPDCXAHBJSJA-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)Cc1ccc(C)cc1 ZINC001273591599 1378105162 /nfs/dbraw/zinc/10/51/62/1378105162.db2.gz XQKPDCXAHBJSJA-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CS[C@@H](C)CC[NH+]1CCC2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001276470932 1378174038 /nfs/dbraw/zinc/17/40/38/1378174038.db2.gz UPHFGXOYLSLPIU-INIZCTEOSA-N 2 1 349.544 3.217 20 0 EGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc(N4CCCCC4)nc3)CC2)C1 ZINC001276873288 1378190510 /nfs/dbraw/zinc/19/05/10/1378190510.db2.gz UCBHTYXDIXFVMJ-UHFFFAOYSA-N 2 1 342.531 3.380 20 0 EGADMP Cc1cc(OC(F)(F)F)ccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001140965871 1378196457 /nfs/dbraw/zinc/19/64/57/1378196457.db2.gz MBMPETDOVGLDDV-INIZCTEOSA-N 2 1 328.378 3.421 20 0 EGADMP Cc1cc(OC(F)(F)F)ccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001140965871 1378196460 /nfs/dbraw/zinc/19/64/60/1378196460.db2.gz MBMPETDOVGLDDV-INIZCTEOSA-N 2 1 328.378 3.421 20 0 EGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001140965871 1378196465 /nfs/dbraw/zinc/19/64/65/1378196465.db2.gz MBMPETDOVGLDDV-INIZCTEOSA-N 2 1 328.378 3.421 20 0 EGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001140965871 1378196467 /nfs/dbraw/zinc/19/64/67/1378196467.db2.gz MBMPETDOVGLDDV-INIZCTEOSA-N 2 1 328.378 3.421 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](F)C(F)(F)CC2)CC1 ZINC001140968089 1378196541 /nfs/dbraw/zinc/19/65/41/1378196541.db2.gz GOTMMCJDXAAEKJ-KRWDZBQOSA-N 2 1 341.421 3.008 20 0 EGADMP Cc1ncoc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001141056772 1378223568 /nfs/dbraw/zinc/22/35/68/1378223568.db2.gz DMWXHPUJTFRTCD-OALUTQOASA-N 2 1 325.456 3.327 20 0 EGADMP Cc1ncoc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001141056772 1378223570 /nfs/dbraw/zinc/22/35/70/1378223570.db2.gz DMWXHPUJTFRTCD-OALUTQOASA-N 2 1 325.456 3.327 20 0 EGADMP Cc1ncoc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001141056772 1378223572 /nfs/dbraw/zinc/22/35/72/1378223572.db2.gz DMWXHPUJTFRTCD-OALUTQOASA-N 2 1 325.456 3.327 20 0 EGADMP CCCCc1nc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c[nH]1 ZINC001141067645 1378226365 /nfs/dbraw/zinc/22/63/65/1378226365.db2.gz JVVUZTLBHFBDAI-UHFFFAOYSA-N 2 1 348.535 3.077 20 0 EGADMP CCC[C@H](C)C[N@H+]1CC[C@]2(CCC[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001278148278 1378259948 /nfs/dbraw/zinc/25/99/48/1378259948.db2.gz MULMQMHTNUCSRT-HFSMHLIXSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[C@H](C)C[N@H+]1CC[C@]2(CCC[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001278148277 1378260155 /nfs/dbraw/zinc/26/01/55/1378260155.db2.gz MULMQMHTNUCSRT-FBBABVLZSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C)c(C)c2)[C@H]1C ZINC001278526823 1378280636 /nfs/dbraw/zinc/28/06/36/1378280636.db2.gz NCESLVMRKAVMKM-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)[C@H]1C ZINC001278526823 1378280638 /nfs/dbraw/zinc/28/06/38/1378280638.db2.gz NCESLVMRKAVMKM-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C)c(C)c2)[C@H]1C ZINC001278526823 1378280641 /nfs/dbraw/zinc/28/06/41/1378280641.db2.gz NCESLVMRKAVMKM-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccn3ccnc3c1)Cc1ccccc12 ZINC001279356615 1378306432 /nfs/dbraw/zinc/30/64/32/1378306432.db2.gz AUXWTSUXTTVWLF-UHFFFAOYSA-N 2 1 346.478 3.314 20 0 EGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001141607146 1378349747 /nfs/dbraw/zinc/34/97/47/1378349747.db2.gz DZDLDMNQGQOHIU-OCCSQVGLSA-N 2 1 328.378 3.098 20 0 EGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3c(C)onc3-c3ccccc3)C[C@@H]2C1 ZINC001141992154 1378402427 /nfs/dbraw/zinc/40/24/27/1378402427.db2.gz DGDSUTCSXPDMKP-ROUUACIJSA-N 2 1 325.456 3.424 20 0 EGADMP Cn1cc(-c2ccc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cc2)cn1 ZINC001327604847 1388566420 /nfs/dbraw/zinc/56/64/20/1388566420.db2.gz RXZBDVWFWQZRRF-LJQANCHMSA-N 2 1 338.499 3.299 20 0 EGADMP c1[nH+]c(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c2ccccn12 ZINC001144625790 1378752413 /nfs/dbraw/zinc/75/24/13/1378752413.db2.gz TZXYGQMUNNSUIC-UXHICEINSA-N 2 1 346.478 3.288 20 0 EGADMP c1[nH+]c(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c2ccccn12 ZINC001144625790 1378752416 /nfs/dbraw/zinc/75/24/16/1378752416.db2.gz TZXYGQMUNNSUIC-UXHICEINSA-N 2 1 346.478 3.288 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001146601110 1378875374 /nfs/dbraw/zinc/87/53/74/1378875374.db2.gz KBHQGQLVQYLDJM-DLBZAZTESA-N 2 1 345.531 3.277 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707701 1378904085 /nfs/dbraw/zinc/90/40/85/1378904085.db2.gz XXXGTBPOURXALS-ZWKOTPCHSA-N 2 1 347.547 3.428 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707701 1378904090 /nfs/dbraw/zinc/90/40/90/1378904090.db2.gz XXXGTBPOURXALS-ZWKOTPCHSA-N 2 1 347.547 3.428 20 0 EGADMP CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707035 1378904404 /nfs/dbraw/zinc/90/44/04/1378904404.db2.gz MPXCXBRKVZKCDP-ROUUACIJSA-N 2 1 333.520 3.037 20 0 EGADMP CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707035 1378904407 /nfs/dbraw/zinc/90/44/07/1378904407.db2.gz MPXCXBRKVZKCDP-ROUUACIJSA-N 2 1 333.520 3.037 20 0 EGADMP Cc1cccc(C[NH2+][C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C(C)C)c1 ZINC001283450255 1378946418 /nfs/dbraw/zinc/94/64/18/1378946418.db2.gz YZLXEZWQMQZECA-UXHICEINSA-N 2 1 345.531 3.100 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001147359966 1379008971 /nfs/dbraw/zinc/00/89/71/1379008971.db2.gz XZWXARYMUAMTAX-UYAOXDASSA-N 2 1 345.531 3.416 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541184 1379039860 /nfs/dbraw/zinc/03/98/60/1379039860.db2.gz LKWNTAXEEDQWQQ-GHOSXJJBSA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147541184 1379039865 /nfs/dbraw/zinc/03/98/65/1379039865.db2.gz LKWNTAXEEDQWQQ-GHOSXJJBSA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147541184 1379039869 /nfs/dbraw/zinc/03/98/69/1379039869.db2.gz LKWNTAXEEDQWQQ-GHOSXJJBSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C/CC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001147552619 1379041288 /nfs/dbraw/zinc/04/12/88/1379041288.db2.gz MSYKWXCTHQNESU-AATRIKPKSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2)[NH+](CC)CC ZINC001148284756 1379145334 /nfs/dbraw/zinc/14/53/34/1379145334.db2.gz CLZMZHGZPIZHPW-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC1CC(C)C1)C2 ZINC001148457950 1379175951 /nfs/dbraw/zinc/17/59/51/1379175951.db2.gz GMRPQWVBHDDPBE-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CC1CC(C)C1)C2 ZINC001148457950 1379175954 /nfs/dbraw/zinc/17/59/54/1379175954.db2.gz GMRPQWVBHDDPBE-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CC1CC(C)C1)C2 ZINC001148457950 1379175955 /nfs/dbraw/zinc/17/59/55/1379175955.db2.gz GMRPQWVBHDDPBE-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001148833614 1379279246 /nfs/dbraw/zinc/27/92/46/1379279246.db2.gz DQVVNLVEMKSLNC-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2 ZINC001148833614 1379279249 /nfs/dbraw/zinc/27/92/49/1379279249.db2.gz DQVVNLVEMKSLNC-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCC(C)(C)C)C2 ZINC001148833614 1379279251 /nfs/dbraw/zinc/27/92/51/1379279251.db2.gz DQVVNLVEMKSLNC-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1cccc(C)c1C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001284614637 1380013708 /nfs/dbraw/zinc/01/37/08/1380013708.db2.gz VPAXEKICDXPXKX-MOPGFXCFSA-N 2 1 345.531 3.018 20 0 EGADMP CC[N@@H+](CC1CC(C)C1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153368480 1380066282 /nfs/dbraw/zinc/06/62/82/1380066282.db2.gz QJSKEEUVHOAMHU-LXPRWKDFSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153387969 1380068376 /nfs/dbraw/zinc/06/83/76/1380068376.db2.gz PMTCCPBGRFMSHE-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)Cc2cccc(C)c2)CC[N@H+]1C ZINC001153501142 1380085953 /nfs/dbraw/zinc/08/59/53/1380085953.db2.gz GXISTLIFODJXTB-YZGWKJHDSA-N 2 1 345.531 3.052 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc2cccc(C)c2)CC[NH+]1C ZINC001153501142 1380085954 /nfs/dbraw/zinc/08/59/54/1380085954.db2.gz GXISTLIFODJXTB-YZGWKJHDSA-N 2 1 345.531 3.052 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc2cccc(C)c2)CC[NH+]1C ZINC001153501142 1380085956 /nfs/dbraw/zinc/08/59/56/1380085956.db2.gz GXISTLIFODJXTB-YZGWKJHDSA-N 2 1 345.531 3.052 20 0 EGADMP CC[N@@H+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930808 1380157037 /nfs/dbraw/zinc/15/70/37/1380157037.db2.gz YKDZSFGARUXOLH-FZTFRBCYSA-N 2 1 345.531 3.113 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCc1cccc(C)c1)[NH+](C)C ZINC001154001241 1380175074 /nfs/dbraw/zinc/17/50/74/1380175074.db2.gz QBTBVQDORRJVIC-UYAOXDASSA-N 2 1 347.547 3.094 20 0 EGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033745 1380187230 /nfs/dbraw/zinc/18/72/30/1380187230.db2.gz LKCMQJZVPPTABY-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154033745 1380187234 /nfs/dbraw/zinc/18/72/34/1380187234.db2.gz LKCMQJZVPPTABY-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154033745 1380187236 /nfs/dbraw/zinc/18/72/36/1380187236.db2.gz LKCMQJZVPPTABY-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455087 1380280475 /nfs/dbraw/zinc/28/04/75/1380280475.db2.gz DZTUVWCCFOETFN-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC2=CCCCC2)C1 ZINC001154784211 1380350727 /nfs/dbraw/zinc/35/07/27/1380350727.db2.gz AWIPVGVOTAQFNW-UYAOXDASSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC2=CCCCC2)C1 ZINC001154784211 1380350729 /nfs/dbraw/zinc/35/07/29/1380350729.db2.gz AWIPVGVOTAQFNW-UYAOXDASSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC2=CCCCC2)C1 ZINC001154784211 1380350732 /nfs/dbraw/zinc/35/07/32/1380350732.db2.gz AWIPVGVOTAQFNW-UYAOXDASSA-N 2 1 349.563 3.435 20 0 EGADMP CC[N@@H+](CC(C)C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001154844483 1380363419 /nfs/dbraw/zinc/36/34/19/1380363419.db2.gz JOLBYMKYGIFBAY-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CC(C)C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001154844483 1380363421 /nfs/dbraw/zinc/36/34/21/1380363421.db2.gz JOLBYMKYGIFBAY-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CC(C)C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001154844483 1380363423 /nfs/dbraw/zinc/36/34/23/1380363423.db2.gz JOLBYMKYGIFBAY-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844576 1380364115 /nfs/dbraw/zinc/36/41/15/1380364115.db2.gz OCCSHMBDQXKIGK-SCTDSRPQSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CCCC1CCC1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001154844576 1380364121 /nfs/dbraw/zinc/36/41/21/1380364121.db2.gz OCCSHMBDQXKIGK-SCTDSRPQSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CCCC1CCC1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001154844576 1380364125 /nfs/dbraw/zinc/36/41/25/1380364125.db2.gz OCCSHMBDQXKIGK-SCTDSRPQSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904509 1380374630 /nfs/dbraw/zinc/37/46/30/1380374630.db2.gz VNRATHPADYFYGC-OAHLLOKOSA-N 2 1 339.911 3.008 20 0 EGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155024132 1380393420 /nfs/dbraw/zinc/39/34/20/1380393420.db2.gz RKUZSOUBVSGMJC-QGZVFWFLSA-N 2 1 335.536 3.045 20 0 EGADMP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066877 1380402394 /nfs/dbraw/zinc/40/23/94/1380402394.db2.gz POCBDTBFVDERML-IEBWSBKVSA-N 2 1 339.568 3.370 20 0 EGADMP CCc1cccc(C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]2CCC[C@@H]2C)c1 ZINC001155227284 1380426746 /nfs/dbraw/zinc/42/67/46/1380426746.db2.gz XMHLSLQEJYOKNB-ZWKOTPCHSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]2CCC[C@@H]2C)c1 ZINC001155227284 1380426747 /nfs/dbraw/zinc/42/67/47/1380426747.db2.gz XMHLSLQEJYOKNB-ZWKOTPCHSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[NH+](CC)[C@H](C)CNC(=O)C[N@H+]2CCC[C@@H]2C)c1 ZINC001155227284 1380426748 /nfs/dbraw/zinc/42/67/48/1380426748.db2.gz XMHLSLQEJYOKNB-ZWKOTPCHSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155254837 1380429412 /nfs/dbraw/zinc/42/94/12/1380429412.db2.gz GIABJDDUGRWWKE-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001155254837 1380429415 /nfs/dbraw/zinc/42/94/15/1380429415.db2.gz GIABJDDUGRWWKE-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001155254837 1380429416 /nfs/dbraw/zinc/42/94/16/1380429416.db2.gz GIABJDDUGRWWKE-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263936 1380430300 /nfs/dbraw/zinc/43/03/00/1380430300.db2.gz YXLIEEKQVSBAOZ-MRXNPFEDSA-N 2 1 327.557 3.227 20 0 EGADMP CC[NH+](CCC(C)(C)C)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001155263936 1380430302 /nfs/dbraw/zinc/43/03/02/1380430302.db2.gz YXLIEEKQVSBAOZ-MRXNPFEDSA-N 2 1 327.557 3.227 20 0 EGADMP CC[NH+](CCC(C)(C)C)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001155263936 1380430305 /nfs/dbraw/zinc/43/03/05/1380430305.db2.gz YXLIEEKQVSBAOZ-MRXNPFEDSA-N 2 1 327.557 3.227 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C)sc1C)[NH+](C)C ZINC001155289137 1380433564 /nfs/dbraw/zinc/43/35/64/1380433564.db2.gz LJFGFWVOKJAIJD-DYVFJYSZSA-N 2 1 339.549 3.032 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1sccc1Cl)[NH+](C)C ZINC001155289044 1380433615 /nfs/dbraw/zinc/43/36/15/1380433615.db2.gz HPUQAKLNNLMNBQ-OCCSQVGLSA-N 2 1 345.940 3.068 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1sccc1Cl)[NH+](C)C ZINC001155289044 1380433616 /nfs/dbraw/zinc/43/36/16/1380433616.db2.gz HPUQAKLNNLMNBQ-OCCSQVGLSA-N 2 1 345.940 3.068 20 0 EGADMP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559490 1380468452 /nfs/dbraw/zinc/46/84/52/1380468452.db2.gz RCPWBAYXUULSCD-QGZVFWFLSA-N 2 1 336.524 3.413 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559490 1380468454 /nfs/dbraw/zinc/46/84/54/1380468454.db2.gz RCPWBAYXUULSCD-QGZVFWFLSA-N 2 1 336.524 3.413 20 0 EGADMP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155558985 1380468617 /nfs/dbraw/zinc/46/86/17/1380468617.db2.gz HVFCBRCTPRICRV-QGZVFWFLSA-N 2 1 336.524 3.269 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155558985 1380468618 /nfs/dbraw/zinc/46/86/18/1380468618.db2.gz HVFCBRCTPRICRV-QGZVFWFLSA-N 2 1 336.524 3.269 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001155612457 1380473869 /nfs/dbraw/zinc/47/38/69/1380473869.db2.gz WJHUWHPDNTVNJY-MSOLQXFVSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)C[C@@H](F)CC ZINC001155877848 1380502046 /nfs/dbraw/zinc/50/20/46/1380502046.db2.gz LNCWHEVYWBQQJX-SJORKVTESA-N 2 1 331.520 3.073 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](F)CC ZINC001155877848 1380502048 /nfs/dbraw/zinc/50/20/48/1380502048.db2.gz LNCWHEVYWBQQJX-SJORKVTESA-N 2 1 331.520 3.073 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](F)CC ZINC001155877848 1380502050 /nfs/dbraw/zinc/50/20/50/1380502050.db2.gz LNCWHEVYWBQQJX-SJORKVTESA-N 2 1 331.520 3.073 20 0 EGADMP Cc1nc(-n2c(C[NH3+])cc3cc(Cl)ccc32)cc(N2CCCC2)[nH+]1 ZINC001155989435 1380510802 /nfs/dbraw/zinc/51/08/02/1380510802.db2.gz HUPBKBCOOULGNI-UHFFFAOYSA-N 2 1 341.846 3.441 20 0 EGADMP CN(C)c1cccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[nH+]1 ZINC001156315201 1380557000 /nfs/dbraw/zinc/55/70/00/1380557000.db2.gz LENLVMBBEAEFAC-GUDVDZBRSA-N 2 1 336.483 3.470 20 0 EGADMP Cn1ccc2c1nc[nH+]c2N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001156314294 1380557015 /nfs/dbraw/zinc/55/70/15/1380557015.db2.gz FGBPHOJXIDZMFH-QXAKKESOSA-N 2 1 347.466 3.291 20 0 EGADMP Cn1ccc2c1nc[nH+]c2N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001156314294 1380557016 /nfs/dbraw/zinc/55/70/16/1380557016.db2.gz FGBPHOJXIDZMFH-QXAKKESOSA-N 2 1 347.466 3.291 20 0 EGADMP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374332 1380566945 /nfs/dbraw/zinc/56/69/45/1380566945.db2.gz OOOODIHDLYEFGK-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156374332 1380566947 /nfs/dbraw/zinc/56/69/47/1380566947.db2.gz OOOODIHDLYEFGK-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156374332 1380566949 /nfs/dbraw/zinc/56/69/49/1380566949.db2.gz OOOODIHDLYEFGK-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(Cl)s1 ZINC001156525734 1380588162 /nfs/dbraw/zinc/58/81/62/1380588162.db2.gz WTBHWTCMKPEKFG-CYBMUJFWSA-N 2 1 345.940 3.070 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(Cl)s1 ZINC001156525734 1380588164 /nfs/dbraw/zinc/58/81/64/1380588164.db2.gz WTBHWTCMKPEKFG-CYBMUJFWSA-N 2 1 345.940 3.070 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(Cl)s1 ZINC001156525734 1380588166 /nfs/dbraw/zinc/58/81/66/1380588166.db2.gz WTBHWTCMKPEKFG-CYBMUJFWSA-N 2 1 345.940 3.070 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098802 1380774801 /nfs/dbraw/zinc/77/48/01/1380774801.db2.gz ZOVYGNMNVKZWDD-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109478 1380777026 /nfs/dbraw/zinc/77/70/26/1380777026.db2.gz OZBHRCYQHNQMDF-SJLPKXTDSA-N 2 1 325.541 3.124 20 0 EGADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001157109478 1380777029 /nfs/dbraw/zinc/77/70/29/1380777029.db2.gz OZBHRCYQHNQMDF-SJLPKXTDSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113340 1380778714 /nfs/dbraw/zinc/77/87/14/1380778714.db2.gz HTKFMGNIGAOVCC-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157113340 1380778718 /nfs/dbraw/zinc/77/87/18/1380778718.db2.gz HTKFMGNIGAOVCC-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157113340 1380778719 /nfs/dbraw/zinc/77/87/19/1380778719.db2.gz HTKFMGNIGAOVCC-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001157439183 1380893661 /nfs/dbraw/zinc/89/36/61/1380893661.db2.gz YWWPRWATVOVJTN-MRXNPFEDSA-N 2 1 330.476 3.131 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001157439183 1380893670 /nfs/dbraw/zinc/89/36/70/1380893670.db2.gz YWWPRWATVOVJTN-MRXNPFEDSA-N 2 1 330.476 3.131 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001157886979 1381061094 /nfs/dbraw/zinc/06/10/94/1381061094.db2.gz NUNXIQXAYKJRRP-FQEVSTJZSA-N 2 1 345.531 3.279 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccc(F)cc1 ZINC001157893390 1381063392 /nfs/dbraw/zinc/06/33/92/1381063392.db2.gz FEHYVBFRJPYYIU-MOPGFXCFSA-N 2 1 349.494 3.246 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCC2CC2)C1 ZINC001158065075 1381118321 /nfs/dbraw/zinc/11/83/21/1381118321.db2.gz DETASXBJAKWAQS-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CCC2CC2)C1 ZINC001158065075 1381118325 /nfs/dbraw/zinc/11/83/25/1381118325.db2.gz DETASXBJAKWAQS-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCC2CC2)C1 ZINC001158065075 1381118330 /nfs/dbraw/zinc/11/83/30/1381118330.db2.gz DETASXBJAKWAQS-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158227745 1381167566 /nfs/dbraw/zinc/16/75/66/1381167566.db2.gz NHYUQJZLPPFGCD-OVKVCFKUSA-N 2 1 346.519 3.251 20 0 EGADMP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158227745 1381167568 /nfs/dbraw/zinc/16/75/68/1381167568.db2.gz NHYUQJZLPPFGCD-OVKVCFKUSA-N 2 1 346.519 3.251 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001158354302 1381213922 /nfs/dbraw/zinc/21/39/22/1381213922.db2.gz HNEDWEWWIRADPZ-QGZVFWFLSA-N 2 1 348.535 3.463 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC001158355025 1381214643 /nfs/dbraw/zinc/21/46/43/1381214643.db2.gz LXJMRNNUXUQPIB-IAGOWNOFSA-N 2 1 342.487 3.254 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccc(F)cc1 ZINC001158412590 1381236992 /nfs/dbraw/zinc/23/69/92/1381236992.db2.gz QEACVHLPIINVRZ-IPMKNSEASA-N 2 1 349.494 3.103 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2=CCCCC2)CC1 ZINC001158418971 1381239821 /nfs/dbraw/zinc/23/98/21/1381239821.db2.gz DZTAQLSFKKWENS-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001158450423 1381249052 /nfs/dbraw/zinc/24/90/52/1381249052.db2.gz QIWAPSCQQWZZTI-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158450255 1381249756 /nfs/dbraw/zinc/24/97/56/1381249756.db2.gz PHKCREQQDBTGKT-RBUKOAKNSA-N 2 1 345.531 3.321 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CCC(C)(C)C)C1 ZINC001158474414 1381258890 /nfs/dbraw/zinc/25/88/90/1381258890.db2.gz YVAXLUZCBFUOPB-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@H+](C)CCC(C)(C)C)C1 ZINC001158474414 1381258895 /nfs/dbraw/zinc/25/88/95/1381258895.db2.gz YVAXLUZCBFUOPB-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CCC(C)(C)C)C1 ZINC001158474414 1381258897 /nfs/dbraw/zinc/25/88/97/1381258897.db2.gz YVAXLUZCBFUOPB-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1cc(N2CCCC2)nc(N(C2CCCC2)C2CC[NH+](C)CC2)[nH+]1 ZINC001158485102 1381264283 /nfs/dbraw/zinc/26/42/83/1381264283.db2.gz GRYNVIHYEJUCGE-UHFFFAOYSA-N 2 1 343.519 3.228 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)C[C@@H](C)CC(C)C ZINC001158704682 1381361233 /nfs/dbraw/zinc/36/12/33/1381361233.db2.gz QPDIJZVZOBJDJV-RBUKOAKNSA-N 2 1 339.568 3.323 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@@H](C)CC(C)C ZINC001158704682 1381361240 /nfs/dbraw/zinc/36/12/40/1381361240.db2.gz QPDIJZVZOBJDJV-RBUKOAKNSA-N 2 1 339.568 3.323 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)C[C@@H](C)CC(C)C ZINC001158704682 1381361245 /nfs/dbraw/zinc/36/12/45/1381361245.db2.gz QPDIJZVZOBJDJV-RBUKOAKNSA-N 2 1 339.568 3.323 20 0 EGADMP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001158786822 1381399575 /nfs/dbraw/zinc/39/95/75/1381399575.db2.gz HPJIZMBQFACKDO-OLHLWXQYSA-N 2 1 337.552 3.388 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001158786822 1381399580 /nfs/dbraw/zinc/39/95/80/1381399580.db2.gz HPJIZMBQFACKDO-OLHLWXQYSA-N 2 1 337.552 3.388 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001158786822 1381399584 /nfs/dbraw/zinc/39/95/84/1381399584.db2.gz HPJIZMBQFACKDO-OLHLWXQYSA-N 2 1 337.552 3.388 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001158806572 1381408591 /nfs/dbraw/zinc/40/85/91/1381408591.db2.gz LBPBRQQIDSFNBF-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001158806572 1381408601 /nfs/dbraw/zinc/40/86/01/1381408601.db2.gz LBPBRQQIDSFNBF-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001158806572 1381408607 /nfs/dbraw/zinc/40/86/07/1381408607.db2.gz LBPBRQQIDSFNBF-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC001328401203 1388737483 /nfs/dbraw/zinc/73/74/83/1388737483.db2.gz UQPMRFRYBSFDMN-XHSDSOJGSA-N 2 1 334.533 3.001 20 0 EGADMP Nc1cc[nH+]c(-c2cc(Nc3ccc([C@@H]4CCC[NH2+]4)cc3)ccn2)c1 ZINC001159225416 1381736387 /nfs/dbraw/zinc/73/63/87/1381736387.db2.gz ZWMDFNAKKXPYBN-SFHVURJKSA-N 2 1 331.423 3.316 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(Nc2cnc(N3CC[NH2+]CC3)c(C)c2)cc1 ZINC001159509630 1381813019 /nfs/dbraw/zinc/81/30/19/1381813019.db2.gz NULLCCLHYKFDAD-UHFFFAOYSA-N 2 1 348.454 3.037 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001159839322 1381917135 /nfs/dbraw/zinc/91/71/35/1381917135.db2.gz YEOYHYLCYSTCRE-RBUKOAKNSA-N 2 1 345.531 3.130 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1cc(F)ccc1O[C@@H]1CC[NH2+]C1 ZINC001160141976 1382013932 /nfs/dbraw/zinc/01/39/32/1382013932.db2.gz YGHANMQVNABPGA-CQSZACIVSA-N 2 1 330.407 3.079 20 0 EGADMP [NH3+]C1CCN(c2cc[nH+]c(NCc3cccc4sccc43)n2)CC1 ZINC001160186300 1382028322 /nfs/dbraw/zinc/02/83/22/1382028322.db2.gz AHQSBNRUTCMTDK-UHFFFAOYSA-N 2 1 339.468 3.231 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001160467889 1382114493 /nfs/dbraw/zinc/11/44/93/1382114493.db2.gz YPMUQGWWMDQLSK-PMACEKPBSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001160467889 1382114495 /nfs/dbraw/zinc/11/44/95/1382114495.db2.gz YPMUQGWWMDQLSK-PMACEKPBSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001160467889 1382114499 /nfs/dbraw/zinc/11/44/99/1382114499.db2.gz YPMUQGWWMDQLSK-PMACEKPBSA-N 2 1 345.531 3.108 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001160985807 1382261920 /nfs/dbraw/zinc/26/19/20/1382261920.db2.gz JTQPFMMWFKPFLE-LJQANCHMSA-N 2 1 335.536 3.047 20 0 EGADMP CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001160985807 1382261924 /nfs/dbraw/zinc/26/19/24/1382261924.db2.gz JTQPFMMWFKPFLE-LJQANCHMSA-N 2 1 335.536 3.047 20 0 EGADMP CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001160985807 1382261931 /nfs/dbraw/zinc/26/19/31/1382261931.db2.gz JTQPFMMWFKPFLE-LJQANCHMSA-N 2 1 335.536 3.047 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC2=CC[NH+](CCC(C)C)CC2)C1 ZINC001160985818 1382262043 /nfs/dbraw/zinc/26/20/43/1382262043.db2.gz KHJWCPIKTYYEFT-HXUWFJFHSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC2=CC[N@H+](CCC(C)C)CC2)C1 ZINC001160985818 1382262046 /nfs/dbraw/zinc/26/20/46/1382262046.db2.gz KHJWCPIKTYYEFT-HXUWFJFHSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC2=CC[N@@H+](CCC(C)C)CC2)C1 ZINC001160985818 1382262049 /nfs/dbraw/zinc/26/20/49/1382262049.db2.gz KHJWCPIKTYYEFT-HXUWFJFHSA-N 2 1 349.563 3.293 20 0 EGADMP C[NH+](C)CCCC(=O)NCCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001161028047 1382277280 /nfs/dbraw/zinc/27/72/80/1382277280.db2.gz FBQCNLJQZGGGBL-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP Clc1ccc(C[NH+]2CCCC2)c(N[C@H]2CC[N@@H+](C3CCC3)C2)n1 ZINC001161177431 1382326085 /nfs/dbraw/zinc/32/60/85/1382326085.db2.gz OPXJCTWIPLUECN-HNNXBMFYSA-N 2 1 334.895 3.370 20 0 EGADMP Clc1ccc(C[NH+]2CCCC2)c(N[C@H]2CC[N@H+](C3CCC3)C2)n1 ZINC001161177431 1382326089 /nfs/dbraw/zinc/32/60/89/1382326089.db2.gz OPXJCTWIPLUECN-HNNXBMFYSA-N 2 1 334.895 3.370 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001161205792 1382340702 /nfs/dbraw/zinc/34/07/02/1382340702.db2.gz GYHOZTIUVWXDNN-MJGOQNOKSA-N 2 1 349.563 3.149 20 0 EGADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001161205792 1382340705 /nfs/dbraw/zinc/34/07/05/1382340705.db2.gz GYHOZTIUVWXDNN-MJGOQNOKSA-N 2 1 349.563 3.149 20 0 EGADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001161205792 1382340710 /nfs/dbraw/zinc/34/07/10/1382340710.db2.gz GYHOZTIUVWXDNN-MJGOQNOKSA-N 2 1 349.563 3.149 20 0 EGADMP CC[C@@H](C(=O)NCCC1=CC[N@@H+](CC2CC(C)C2)CC1)[NH+](CC)CC ZINC001161213087 1382343765 /nfs/dbraw/zinc/34/37/65/1382343765.db2.gz GAPPJICMBZUUNM-UUKMXZOPSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001161219956 1382347265 /nfs/dbraw/zinc/34/72/65/1382347265.db2.gz RWLOEUCPOOBLPN-VOFKWLDRSA-N 2 1 347.547 3.213 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383274 1382391690 /nfs/dbraw/zinc/39/16/90/1382391690.db2.gz OSSDGVSCCKXRFF-RTBURBONSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383370 1382391700 /nfs/dbraw/zinc/39/17/00/1382391700.db2.gz UXKSGIKEDIHCII-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCC1=CC[N@H+](CCC(C)C)CC1 ZINC001161465430 1382416838 /nfs/dbraw/zinc/41/68/38/1382416838.db2.gz NQISDDPBVZZDIF-UHFFFAOYSA-N 2 1 346.519 3.156 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCC1=CC[N@@H+](CCC(C)C)CC1 ZINC001161465430 1382416839 /nfs/dbraw/zinc/41/68/39/1382416839.db2.gz NQISDDPBVZZDIF-UHFFFAOYSA-N 2 1 346.519 3.156 20 0 EGADMP CC1CC[NH+](CC(=O)NCCC2=CC[N@@H+](CC3CCCC3)CC2)CC1 ZINC001161554860 1382438456 /nfs/dbraw/zinc/43/84/56/1382438456.db2.gz VCBFMHIOTLGXPC-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161699224 1382483797 /nfs/dbraw/zinc/48/37/97/1382483797.db2.gz OKDJWKFCURRHJQ-RRFGBZISSA-N 2 1 347.547 3.213 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001161699224 1382483800 /nfs/dbraw/zinc/48/38/00/1382483800.db2.gz OKDJWKFCURRHJQ-RRFGBZISSA-N 2 1 347.547 3.213 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161699224 1382483805 /nfs/dbraw/zinc/48/38/05/1382483805.db2.gz OKDJWKFCURRHJQ-RRFGBZISSA-N 2 1 347.547 3.213 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161705732 1382485664 /nfs/dbraw/zinc/48/56/64/1382485664.db2.gz XGKLETAQPYDGKD-PMACEKPBSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161932569 1382558935 /nfs/dbraw/zinc/55/89/35/1382558935.db2.gz VJCSMKBXNYCOKO-ARJAWSKDSA-N 2 1 347.547 3.357 20 0 EGADMP CC(C)[C@H](C(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1)[NH+]1CCCC1 ZINC001161952072 1382567172 /nfs/dbraw/zinc/56/71/72/1382567172.db2.gz CNKIINHRCUQJRF-HXUWFJFHSA-N 2 1 347.547 3.045 20 0 EGADMP Cc1ccnc(CNc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)n1 ZINC001162192969 1382652980 /nfs/dbraw/zinc/65/29/80/1382652980.db2.gz FBCFJBQZITXTEZ-INIZCTEOSA-N 2 1 336.443 3.061 20 0 EGADMP C[C@@]1(O)CC[C@@H](Nc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)CC1 ZINC001162359864 1382739796 /nfs/dbraw/zinc/73/97/96/1382739796.db2.gz OSYLVQIRPCQFBD-KNBMTAEXSA-N 2 1 342.487 3.456 20 0 EGADMP [NH3+][C@H]1CCC[C@@H](Nc2[nH+]cnc3c2ccn3Cc2ccccc2F)C1 ZINC001162391463 1382746036 /nfs/dbraw/zinc/74/60/36/1382746036.db2.gz MPNXXNWIFOSEQK-LSDHHAIUSA-N 2 1 339.418 3.301 20 0 EGADMP C[C@H]1C[NH2+]CCC[C@H]1CNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC001162459403 1382762524 /nfs/dbraw/zinc/76/25/24/1382762524.db2.gz DOYTUIBJZXABBU-HOTGVXAUSA-N 2 1 337.471 3.044 20 0 EGADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1c[nH+]c2c(Br)cccn12 ZINC001162465029 1382765376 /nfs/dbraw/zinc/76/53/76/1382765376.db2.gz BFDAERLTONLSKQ-VXGBXAGGSA-N 2 1 337.265 3.144 20 0 EGADMP CC(C)(Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1)C(=O)c1ccccc1 ZINC001162636671 1382817810 /nfs/dbraw/zinc/81/78/10/1382817810.db2.gz CZRNIANYYWUVDD-UHFFFAOYSA-N 2 1 334.423 3.095 20 0 EGADMP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3cccc4c3CCC4)c2)CC1 ZINC001328694253 1388810978 /nfs/dbraw/zinc/81/09/78/1388810978.db2.gz SCEPODMVHYZJFI-UHFFFAOYSA-N 2 1 349.522 3.213 20 0 EGADMP C[N@H+]1CC[C@@H](c2ccc(NCC[C@@H]3C[NH2+]Cc4cccn4C3)cc2)C1 ZINC001163065309 1382959526 /nfs/dbraw/zinc/95/95/26/1382959526.db2.gz MACFLQJPXZKUEN-IEBWSBKVSA-N 2 1 338.499 3.129 20 0 EGADMP C[N@H+]1CC[C@H](c2ccc(NCC[C@@H]3C[NH2+]Cc4cccn4C3)cc2)C1 ZINC001163065311 1382959568 /nfs/dbraw/zinc/95/95/68/1382959568.db2.gz MACFLQJPXZKUEN-MJGOQNOKSA-N 2 1 338.499 3.129 20 0 EGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(C)CC[NH+](C)C)n1 ZINC001163590986 1383084340 /nfs/dbraw/zinc/08/43/40/1383084340.db2.gz NLQPCPUDCASKKC-UHFFFAOYSA-N 2 1 349.548 3.148 20 0 EGADMP C[NH+](C)C1(CNc2cncc(Oc3ccccc3)c2)CC[NH+](C)CC1 ZINC001164213316 1383166660 /nfs/dbraw/zinc/16/66/60/1383166660.db2.gz SFBAYYJEQXRTOZ-UHFFFAOYSA-N 2 1 340.471 3.312 20 0 EGADMP Nc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[nH+]cc1F ZINC001164486144 1383191991 /nfs/dbraw/zinc/19/19/91/1383191991.db2.gz LCWCRLAYSDDSSF-IIDMSEBBSA-N 2 1 326.419 3.125 20 0 EGADMP O=C(NCCC[NH2+]CCCC1CCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164500706 1383193934 /nfs/dbraw/zinc/19/39/34/1383193934.db2.gz BVPAGIQXBSFOCE-HXUWFJFHSA-N 2 1 349.563 3.460 20 0 EGADMP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531584 1383196961 /nfs/dbraw/zinc/19/69/61/1383196961.db2.gz NUQWGVCTEPEDKX-RTBURBONSA-N 2 1 349.563 3.173 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1cc(-n2ccnc2)cc[nH+]1 ZINC001165203627 1383248506 /nfs/dbraw/zinc/24/85/06/1383248506.db2.gz ZOEZATPOKRWDTM-ZWKOTPCHSA-N 2 1 347.466 3.367 20 0 EGADMP C[N@H+]1CCC[C@@H](CCNc2cccc3c2C2(C=C3)CC[NH2+]CC2)C1 ZINC001165278210 1383265053 /nfs/dbraw/zinc/26/50/53/1383265053.db2.gz DVFKIVZDYNHAHG-KRWDZBQOSA-N 2 1 325.500 3.478 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001165331795 1383274797 /nfs/dbraw/zinc/27/47/97/1383274797.db2.gz CMMWHRGKLMNJBY-GOSISDBHSA-N 2 1 337.552 3.317 20 0 EGADMP CC(C)CC[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165485513 1383301956 /nfs/dbraw/zinc/30/19/56/1383301956.db2.gz YDZIUUXCZJRRKE-GOSISDBHSA-N 2 1 337.552 3.172 20 0 EGADMP C[C@@H]([NH2+]CC1(CCNC(=O)C[N@@H+](C)C2CCC2)CC1)c1ccccc1 ZINC001165501229 1383303634 /nfs/dbraw/zinc/30/36/34/1383303634.db2.gz COZIFQKGWZCBET-QGZVFWFLSA-N 2 1 343.515 3.108 20 0 EGADMP CC(C)CCC[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001165569096 1383311521 /nfs/dbraw/zinc/31/15/21/1383311521.db2.gz RSPKERWBNGWSDI-GOSISDBHSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001165763760 1383341332 /nfs/dbraw/zinc/34/13/32/1383341332.db2.gz FQMWAUSKYIPPSX-QZTJIDSGSA-N 2 1 337.552 3.029 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)C[N@H+]2CCC(C)(C)C2)c1 ZINC001166736225 1383468488 /nfs/dbraw/zinc/46/84/88/1383468488.db2.gz FFOUUMWVKTUALE-SFHVURJKSA-N 2 1 345.531 3.192 20 0 EGADMP C[N@@H+](CC(=O)NCCC[NH2+]CCC1CCCCCC1)CC(C)(C)C ZINC001166743975 1383469954 /nfs/dbraw/zinc/46/99/54/1383469954.db2.gz BJWUHWNUSXJCGR-UHFFFAOYSA-N 2 1 339.568 3.421 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCCNC(=O)C[N@H+]2CCC(C)(C)C2)cc1 ZINC001166764657 1383474098 /nfs/dbraw/zinc/47/40/98/1383474098.db2.gz KBAHEMLZGWOECQ-UHFFFAOYSA-N 2 1 345.531 3.138 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC2(C[NH2+]CCC(C)C)CC2)C1 ZINC001166787274 1383477504 /nfs/dbraw/zinc/47/75/04/1383477504.db2.gz KDJARTIEXJXYPQ-SFHVURJKSA-N 2 1 337.552 3.031 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccccc1CC ZINC001328785824 1388863033 /nfs/dbraw/zinc/86/30/33/1388863033.db2.gz KNMHBTBWEBWQIQ-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1CC ZINC001328785824 1388863036 /nfs/dbraw/zinc/86/30/36/1388863036.db2.gz KNMHBTBWEBWQIQ-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1CC ZINC001328785824 1388863039 /nfs/dbraw/zinc/86/30/39/1388863039.db2.gz KNMHBTBWEBWQIQ-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC/C=C\CC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001167224930 1383570162 /nfs/dbraw/zinc/57/01/62/1383570162.db2.gz OAYRLZVZOQPWPE-OOFWQKGWSA-N 2 1 335.536 3.093 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001167237227 1383572638 /nfs/dbraw/zinc/57/26/38/1383572638.db2.gz XKPZMFCXLWQRKX-IEBWSBKVSA-N 2 1 349.563 3.031 20 0 EGADMP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001328790172 1388865994 /nfs/dbraw/zinc/86/59/94/1388865994.db2.gz LCXFJHAAOHJWTM-GOSISDBHSA-N 2 1 346.519 3.305 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001328790172 1388865998 /nfs/dbraw/zinc/86/59/98/1388865998.db2.gz LCXFJHAAOHJWTM-GOSISDBHSA-N 2 1 346.519 3.305 20 0 EGADMP CC(C)CCC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001167351519 1383606603 /nfs/dbraw/zinc/60/66/03/1383606603.db2.gz DLTIMUDATHBBNP-UHFFFAOYSA-N 2 1 348.535 3.319 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[NH2+]CC1CCCCC1 ZINC001167580513 1383678009 /nfs/dbraw/zinc/67/80/09/1383678009.db2.gz CMJDIAWZXVABGC-UHFFFAOYSA-N 2 1 334.508 3.073 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(CF)cc1 ZINC001167627075 1383692606 /nfs/dbraw/zinc/69/26/06/1383692606.db2.gz KALSVCGLORAKCD-LJQANCHMSA-N 2 1 349.494 3.015 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001167640665 1383695919 /nfs/dbraw/zinc/69/59/19/1383695919.db2.gz ORLUXAXIPWGFMY-UHFFFAOYSA-N 2 1 345.531 3.021 20 0 EGADMP CC(C)(C)OC(=O)C1(Nc2cc3[nH+]c[nH]c3cc2F)CCC([NH3+])CC1 ZINC001167643522 1383696657 /nfs/dbraw/zinc/69/66/57/1383696657.db2.gz HOARAKJLEVYQQR-UHFFFAOYSA-N 2 1 348.422 3.096 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001167685708 1383710338 /nfs/dbraw/zinc/71/03/38/1383710338.db2.gz JXXYNYZACIOHEC-BRWVUGGUSA-N 2 1 339.524 3.048 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001167685708 1383710340 /nfs/dbraw/zinc/71/03/40/1383710340.db2.gz JXXYNYZACIOHEC-BRWVUGGUSA-N 2 1 339.524 3.048 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001167685708 1383710344 /nfs/dbraw/zinc/71/03/44/1383710344.db2.gz JXXYNYZACIOHEC-BRWVUGGUSA-N 2 1 339.524 3.048 20 0 EGADMP C[NH2+]CCNc1nc(C[NH+]2CCC(C)CC2)nc2sc(C)c(C)c21 ZINC001167722984 1383722152 /nfs/dbraw/zinc/72/21/52/1383722152.db2.gz GNLJMFSAFCVIRH-UHFFFAOYSA-N 2 1 347.532 3.171 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC001167823302 1383749314 /nfs/dbraw/zinc/74/93/14/1383749314.db2.gz KHKMXADYVIFNCV-OXQOHEQNSA-N 2 1 329.488 3.093 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+][C@@H](CC)c2ccccc2)CC1 ZINC001167836448 1383755274 /nfs/dbraw/zinc/75/52/74/1383755274.db2.gz WAHLKTIRBRJFMH-IBGZPJMESA-N 2 1 345.531 3.356 20 0 EGADMP CC1(C)CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC(C)(C)N1O ZINC001167963999 1383780004 /nfs/dbraw/zinc/78/00/04/1383780004.db2.gz JJQLKSNYNHVPRN-ZNXRZULTSA-N 2 1 335.536 3.392 20 0 EGADMP [NH3+]CCc1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccc(O)cc12 ZINC001167965663 1383780318 /nfs/dbraw/zinc/78/03/18/1383780318.db2.gz JPZIFKMOQCLEMJ-JWTNVVGKSA-N 2 1 339.483 3.426 20 0 EGADMP COc1cccc([C@H](CCO)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167964369 1383780743 /nfs/dbraw/zinc/78/07/43/1383780743.db2.gz PSKQGPOSEJNCIJ-QYYYHEGRSA-N 2 1 344.499 3.114 20 0 EGADMP COc1cccc([C@H](CCO)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167964369 1383780748 /nfs/dbraw/zinc/78/07/48/1383780748.db2.gz PSKQGPOSEJNCIJ-QYYYHEGRSA-N 2 1 344.499 3.114 20 0 EGADMP [NH3+]CC[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccccc21 ZINC001167966160 1383781072 /nfs/dbraw/zinc/78/10/72/1383781072.db2.gz QYWDIOWYHRVKCT-KAKFPZCNSA-N 2 1 325.500 3.344 20 0 EGADMP CCCC[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167973774 1383783509 /nfs/dbraw/zinc/78/35/09/1383783509.db2.gz NFSVUXZNLKVELQ-SEJPIABJSA-N 3 1 333.564 3.494 20 0 EGADMP c1cc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc[nH+]1 ZINC001167974405 1383783705 /nfs/dbraw/zinc/78/37/05/1383783705.db2.gz ZOHLNLHIZUJPBX-VCSGRIEYSA-N 3 1 340.515 3.045 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC001328811793 1388878832 /nfs/dbraw/zinc/87/88/32/1388878832.db2.gz FXGSAJUFGDVOTD-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001328811793 1388878848 /nfs/dbraw/zinc/87/88/48/1388878848.db2.gz FXGSAJUFGDVOTD-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001328811793 1388878853 /nfs/dbraw/zinc/87/88/53/1388878853.db2.gz FXGSAJUFGDVOTD-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CCOC(=O)[C@@]1(C)CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167985778 1383787783 /nfs/dbraw/zinc/78/77/83/1383787783.db2.gz ZMTGVADIYMMVEH-VHRCFOOQSA-N 2 1 348.531 3.447 20 0 EGADMP CCOC(=O)[C@@]1(C)CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167985778 1383787785 /nfs/dbraw/zinc/78/77/85/1383787785.db2.gz ZMTGVADIYMMVEH-VHRCFOOQSA-N 2 1 348.531 3.447 20 0 EGADMP CCOC(=O)[C@@]1(C)CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167985778 1383787788 /nfs/dbraw/zinc/78/77/88/1383787788.db2.gz ZMTGVADIYMMVEH-VHRCFOOQSA-N 2 1 348.531 3.447 20 0 EGADMP COC(=O)c1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)c1 ZINC001168002058 1383792761 /nfs/dbraw/zinc/79/27/61/1383792761.db2.gz CPBQMPMZZVGADU-YOFSQIOKSA-N 2 1 342.483 3.310 20 0 EGADMP COC(=O)c1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)c1 ZINC001168002058 1383792765 /nfs/dbraw/zinc/79/27/65/1383792765.db2.gz CPBQMPMZZVGADU-YOFSQIOKSA-N 2 1 342.483 3.310 20 0 EGADMP COC(=O)c1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001168002058 1383792769 /nfs/dbraw/zinc/79/27/69/1383792769.db2.gz CPBQMPMZZVGADU-YOFSQIOKSA-N 2 1 342.483 3.310 20 0 EGADMP COC(=O)c1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001168002058 1383792773 /nfs/dbraw/zinc/79/27/73/1383792773.db2.gz CPBQMPMZZVGADU-YOFSQIOKSA-N 2 1 342.483 3.310 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N(C)C2CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009242 1383795903 /nfs/dbraw/zinc/79/59/03/1383795903.db2.gz ZLUMKDUCZSDWSU-IZZQQSIFSA-N 2 1 343.515 3.029 20 0 EGADMP O=C(NCCC[NH2+]CC1CCCCCC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168030580 1383800220 /nfs/dbraw/zinc/80/02/20/1383800220.db2.gz QGJQCICWMLNKJF-RTBURBONSA-N 2 1 335.536 3.070 20 0 EGADMP CC(=O)N[C@@H]1CCC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168050638 1383804240 /nfs/dbraw/zinc/80/42/40/1383804240.db2.gz BZNUBWGOJCQFOG-ABSDTBQOSA-N 2 1 343.515 3.029 20 0 EGADMP CC(=O)N[C@@H]1CCC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168050638 1383804256 /nfs/dbraw/zinc/80/42/56/1383804256.db2.gz BZNUBWGOJCQFOG-ABSDTBQOSA-N 2 1 343.515 3.029 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001168315362 1383871791 /nfs/dbraw/zinc/87/17/91/1383871791.db2.gz VHGVMZZVRUBZMR-OFLPRAFFSA-N 2 1 339.524 3.238 20 0 EGADMP C[NH+](C)C1CCC([N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001168319302 1383871796 /nfs/dbraw/zinc/87/17/96/1383871796.db2.gz RKSDHVSZFJLROP-UHFFFAOYSA-N 2 1 339.524 3.191 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)CC1 ZINC001168324655 1383873345 /nfs/dbraw/zinc/87/33/45/1383873345.db2.gz SVVZEWOUXWVUFJ-PNESKVBLSA-N 2 1 346.397 3.141 20 0 EGADMP C[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001168327963 1383873886 /nfs/dbraw/zinc/87/38/86/1383873886.db2.gz VNXAIDYVFAUZKF-JUVOFCAFSA-N 2 1 339.524 3.189 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)[C@@H](c2ccccc2)C1 ZINC001168328247 1383874388 /nfs/dbraw/zinc/87/43/88/1383874388.db2.gz BOZZWFGLSKOCAP-DCCYDQLOSA-N 2 1 344.499 3.486 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001168335252 1383876238 /nfs/dbraw/zinc/87/62/38/1383876238.db2.gz DUDYPBZSLBVYRV-DUMMIQTOSA-N 2 1 335.536 3.093 20 0 EGADMP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001168335913 1383877038 /nfs/dbraw/zinc/87/70/38/1383877038.db2.gz ZLLQRQGNWWZOEP-OVKVCFKUSA-N 2 1 349.563 3.483 20 0 EGADMP O=C1CCCCN1c1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168368827 1383885288 /nfs/dbraw/zinc/88/52/88/1383885288.db2.gz QAYRYSZWVLOTLA-UHFFFAOYSA-N 2 1 341.499 3.168 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168368378 1383885451 /nfs/dbraw/zinc/88/54/51/1383885451.db2.gz JCHUDHBXZHGDLL-MXVIHJGJSA-N 3 1 342.531 3.028 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccncc2)C2CCN(CC3CC3)CC2)CC1 ZINC001168368378 1383885454 /nfs/dbraw/zinc/88/54/54/1383885454.db2.gz JCHUDHBXZHGDLL-MXVIHJGJSA-N 2 1 342.531 3.028 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)C2CCN(CC3CC3)CC2)CC1 ZINC001168368378 1383885458 /nfs/dbraw/zinc/88/54/58/1383885458.db2.gz JCHUDHBXZHGDLL-MXVIHJGJSA-N 2 1 342.531 3.028 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccccc1CC ZINC001168595597 1383944297 /nfs/dbraw/zinc/94/42/97/1383944297.db2.gz LRVNPGWRMAHAIZ-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP CSc1nc(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc(N2CCCC2)[nH+]1 ZINC001168596821 1383945129 /nfs/dbraw/zinc/94/51/29/1383945129.db2.gz OSHLLVSTZVFQHG-KBPBESRZSA-N 2 1 335.521 3.083 20 0 EGADMP Cc1ccc2c(c1)[nH+]ccc2-n1nc(-c2ccccc2)nc1CC[NH3+] ZINC001168716547 1383978752 /nfs/dbraw/zinc/97/87/52/1383978752.db2.gz BBIQEKVDUSGSOQ-UHFFFAOYSA-N 2 1 329.407 3.292 20 0 EGADMP COC(=O)C1(C)CCC([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001168789929 1384005247 /nfs/dbraw/zinc/00/52/47/1384005247.db2.gz ROASGJDXGHGETC-NRGCRIOASA-N 2 1 336.520 3.447 20 0 EGADMP COC(=O)C1(C)CCC([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001168789929 1384005251 /nfs/dbraw/zinc/00/52/51/1384005251.db2.gz ROASGJDXGHGETC-NRGCRIOASA-N 2 1 336.520 3.447 20 0 EGADMP COC(=O)C1(C)CCC([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001168789929 1384005258 /nfs/dbraw/zinc/00/52/58/1384005258.db2.gz ROASGJDXGHGETC-NRGCRIOASA-N 2 1 336.520 3.447 20 0 EGADMP Cc1ncn(-c2ccc3c(c2)[nH]c2cc[nH+]cc23)c1CSCC[NH3+] ZINC001168798028 1384009485 /nfs/dbraw/zinc/00/94/85/1384009485.db2.gz STLWYRWUAKNHKW-UHFFFAOYSA-N 2 1 337.452 3.402 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)C2 ZINC001169091251 1384105008 /nfs/dbraw/zinc/10/50/08/1384105008.db2.gz PZGMOSSMTBLYHM-NQNKBUKLSA-N 2 1 337.508 3.037 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC001169091179 1384105038 /nfs/dbraw/zinc/10/50/38/1384105038.db2.gz OXUBBIYHNBLJFJ-LELZANKISA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001169091179 1384105039 /nfs/dbraw/zinc/10/50/39/1384105039.db2.gz OXUBBIYHNBLJFJ-LELZANKISA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001169091179 1384105041 /nfs/dbraw/zinc/10/50/41/1384105041.db2.gz OXUBBIYHNBLJFJ-LELZANKISA-N 2 1 327.516 3.254 20 0 EGADMP Cc1cc(F)ccc1CN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169109055 1384108401 /nfs/dbraw/zinc/10/84/01/1384108401.db2.gz HFJLWCVSFHXKKV-WKCHPHFGSA-N 2 1 345.506 3.313 20 0 EGADMP COCC[N@@H+](C)Cc1ccnc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1 ZINC001169141501 1384113043 /nfs/dbraw/zinc/11/30/43/1384113043.db2.gz JWKWNKMVRQDLAC-XLIONFOSSA-N 2 1 348.535 3.115 20 0 EGADMP CC(C)OC1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCCCC1 ZINC001308306425 1384118093 /nfs/dbraw/zinc/11/80/93/1384118093.db2.gz NHXFSGCAHSSKQZ-UHFFFAOYSA-N 2 1 325.522 3.422 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001308365776 1384122314 /nfs/dbraw/zinc/12/23/14/1384122314.db2.gz GMLZAXFKFIMGJN-QFIPXVFZSA-N 2 1 336.479 3.032 20 0 EGADMP CC[NH+]1CCC([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2C)CC1 ZINC001169225275 1384124685 /nfs/dbraw/zinc/12/46/85/1384124685.db2.gz QCWHRIJXRNZZHK-UHFFFAOYSA-N 2 1 348.491 3.311 20 0 EGADMP CC[NH+]1CCC(N2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)CC1 ZINC001169249360 1384127676 /nfs/dbraw/zinc/12/76/76/1384127676.db2.gz HQXVAOYAWINJSY-FQEVSTJZSA-N 2 1 345.531 3.440 20 0 EGADMP CCN1CCC([NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)CC1 ZINC001169249360 1384127679 /nfs/dbraw/zinc/12/76/79/1384127679.db2.gz HQXVAOYAWINJSY-FQEVSTJZSA-N 2 1 345.531 3.440 20 0 EGADMP CCN1CCC([NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)CC1 ZINC001169249360 1384127680 /nfs/dbraw/zinc/12/76/80/1384127680.db2.gz HQXVAOYAWINJSY-FQEVSTJZSA-N 2 1 345.531 3.440 20 0 EGADMP CC[NH+]1CCC(N2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001169261159 1384128856 /nfs/dbraw/zinc/12/88/56/1384128856.db2.gz BCRYNESOGFJACN-UHFFFAOYSA-N 2 1 333.495 3.206 20 0 EGADMP CCOC(=O)CCC[N@H+](Cc1ccccc1)C1CC[NH+](CC)CC1 ZINC001169264680 1384129443 /nfs/dbraw/zinc/12/94/43/1384129443.db2.gz QLNLUTINTGNDSR-UHFFFAOYSA-N 2 1 332.488 3.316 20 0 EGADMP CCOC(=O)CCC[N@@H+](Cc1ccccc1)C1CC[NH+](CC)CC1 ZINC001169264680 1384129447 /nfs/dbraw/zinc/12/94/47/1384129447.db2.gz QLNLUTINTGNDSR-UHFFFAOYSA-N 2 1 332.488 3.316 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169809600 1384187885 /nfs/dbraw/zinc/18/78/85/1384187885.db2.gz JGVOCLVLXMQMNO-MJGOQNOKSA-N 2 1 335.536 3.236 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)C1 ZINC001170110602 1384237633 /nfs/dbraw/zinc/23/76/33/1384237633.db2.gz ZGRMNXPXTRRBOD-HZPDHXFCSA-N 2 1 327.513 3.001 20 0 EGADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)C1 ZINC001170137808 1384245385 /nfs/dbraw/zinc/24/53/85/1384245385.db2.gz OUMWPOYQCCPGOF-RLLQIKCJSA-N 2 1 343.515 3.326 20 0 EGADMP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(OC)cc3)CC2)CCO1 ZINC001170182624 1384256988 /nfs/dbraw/zinc/25/69/88/1384256988.db2.gz NTSLBUSPNWWKSS-UXHICEINSA-N 2 1 346.515 3.249 20 0 EGADMP CC[C@@H]1C[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)CCO1 ZINC001170221411 1384268604 /nfs/dbraw/zinc/26/86/04/1384268604.db2.gz ORTKGFQVIBGKJU-VQTJNVASSA-N 2 1 343.515 3.327 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170528949 1384335904 /nfs/dbraw/zinc/33/59/04/1384335904.db2.gz DYFMWVIIWLOKNS-NXWXRZEISA-N 2 1 348.462 3.239 20 0 EGADMP CCCCCC[C@@H](CC)[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001170597709 1384347405 /nfs/dbraw/zinc/34/74/05/1384347405.db2.gz DSAITMITWGVSTO-VAMGGRTRSA-N 2 1 340.552 3.405 20 0 EGADMP CCCCCC[C@@H](CC)[NH+]1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001170597709 1384347408 /nfs/dbraw/zinc/34/74/08/1384347408.db2.gz DSAITMITWGVSTO-VAMGGRTRSA-N 2 1 340.552 3.405 20 0 EGADMP CCCCCC[C@@H](CC)[NH+]1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001170597709 1384347411 /nfs/dbraw/zinc/34/74/11/1384347411.db2.gz DSAITMITWGVSTO-VAMGGRTRSA-N 2 1 340.552 3.405 20 0 EGADMP CCCCCC[C@H](CC)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001170599406 1384347847 /nfs/dbraw/zinc/34/78/47/1384347847.db2.gz NTSZSMLDSQKHED-FYQPLNBISA-N 2 1 347.551 3.422 20 0 EGADMP COc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCCOCC2)c1 ZINC001170800506 1384388142 /nfs/dbraw/zinc/38/81/42/1384388142.db2.gz DBCGSNKOTPROFR-GUDVDZBRSA-N 2 1 332.488 3.336 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170863623 1384400854 /nfs/dbraw/zinc/40/08/54/1384400854.db2.gz WPTRQUZMOKTHDM-YQVWRLOYSA-N 2 1 337.552 3.172 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH2+]C[C@@H](C)CC(C)C)c1ccccc1 ZINC001170868212 1384401289 /nfs/dbraw/zinc/40/12/89/1384401289.db2.gz QYOQSSKDAYQFHS-AZUAARDMSA-N 2 1 347.547 3.458 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001170878332 1384403570 /nfs/dbraw/zinc/40/35/70/1384403570.db2.gz NNRZGQNKLAAVTH-DLBZAZTESA-N 2 1 348.535 3.461 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001316602037 1384468807 /nfs/dbraw/zinc/46/88/07/1384468807.db2.gz GFXQHFGLFKZRQT-MSOLQXFVSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001316602037 1384468808 /nfs/dbraw/zinc/46/88/08/1384468808.db2.gz GFXQHFGLFKZRQT-MSOLQXFVSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001316602037 1384468809 /nfs/dbraw/zinc/46/88/09/1384468809.db2.gz GFXQHFGLFKZRQT-MSOLQXFVSA-N 2 1 339.568 3.179 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001316624792 1384490077 /nfs/dbraw/zinc/49/00/77/1384490077.db2.gz OJXVOZGFAXAQRL-YRXWBPOGSA-N 2 1 337.552 3.027 20 0 EGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1C[C@H]3CC[NH+](C)C[C@H]3C1)CC2 ZINC001171310385 1384491755 /nfs/dbraw/zinc/49/17/55/1384491755.db2.gz JPEQGPPMECYUBK-QLFBSQMISA-N 2 1 334.891 3.089 20 0 EGADMP COc1ccc(Cl)c2c1C[C@H]([NH+]1C[C@H]3CC[N@H+](C)C[C@H]3C1)CC2 ZINC001171310385 1384491757 /nfs/dbraw/zinc/49/17/57/1384491757.db2.gz JPEQGPPMECYUBK-QLFBSQMISA-N 2 1 334.891 3.089 20 0 EGADMP COc1ccc(Cl)c2c1C[C@H]([NH+]1C[C@H]3CC[N@@H+](C)C[C@H]3C1)CC2 ZINC001171310385 1384491758 /nfs/dbraw/zinc/49/17/58/1384491758.db2.gz JPEQGPPMECYUBK-QLFBSQMISA-N 2 1 334.891 3.089 20 0 EGADMP c1ccc(C[N@@H+]2CCc3c(ccnc3NC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001171326973 1384495540 /nfs/dbraw/zinc/49/55/40/1384495540.db2.gz BARXNLXWIGAHDN-IBGZPJMESA-N 2 1 336.483 3.194 20 0 EGADMP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171547169 1384558647 /nfs/dbraw/zinc/55/86/47/1384558647.db2.gz RWJNHWOWVSXQNB-IEBWSBKVSA-N 2 1 337.552 3.316 20 0 EGADMP C[N@@H+](CC(=O)N1C[C@@H]2C[NH+](CCCC(C)(C)C)CC[C@@H]2C1)C1CCC1 ZINC001316754569 1384561182 /nfs/dbraw/zinc/56/11/82/1384561182.db2.gz NYRJDJAEDHOJKY-MSOLQXFVSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1C[C@@H]2C[N@@H+](CCCC(C)(C)C)CC[C@@H]2C1)C1CCC1 ZINC001316754569 1384561183 /nfs/dbraw/zinc/56/11/83/1384561183.db2.gz NYRJDJAEDHOJKY-MSOLQXFVSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1C[C@@H]2C[N@H+](CCCC(C)(C)C)CC[C@@H]2C1)C1CCC1 ZINC001316754569 1384561186 /nfs/dbraw/zinc/56/11/86/1384561186.db2.gz NYRJDJAEDHOJKY-MSOLQXFVSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@H]([NH3+])C2)C[C@H]1C(C)(C)C ZINC001171583147 1384571717 /nfs/dbraw/zinc/57/17/17/1384571717.db2.gz WTLDSZLCROQABE-JYJNAYRXSA-N 2 1 339.524 3.224 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCC[C@H]([NH3+])C2)C[C@H]1C(C)(C)C ZINC001171583147 1384571718 /nfs/dbraw/zinc/57/17/18/1384571718.db2.gz WTLDSZLCROQABE-JYJNAYRXSA-N 2 1 339.524 3.224 20 0 EGADMP C[C@@H]1C[C@H](N(C(N)=[NH2+])c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC001171727465 1384615207 /nfs/dbraw/zinc/61/52/07/1384615207.db2.gz CTPRQFRSNYLLMI-KDOFPFPSSA-N 2 1 326.419 3.189 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CC[C@H]1CCC[C@H](C)C1 ZINC001171731889 1384618594 /nfs/dbraw/zinc/61/85/94/1384618594.db2.gz PMNFPHSRSYQQIU-ZWKOTPCHSA-N 2 1 325.541 3.031 20 0 EGADMP C[C@@H]1C[C@H](N2CC[C@H]([NH+]3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171762343 1384628244 /nfs/dbraw/zinc/62/82/44/1384628244.db2.gz JIXOWKZWUNZRLK-GIVPXCGWSA-N 2 1 327.516 3.210 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCCC[NH2+]CCC1CCCC1 ZINC001171822205 1384651317 /nfs/dbraw/zinc/65/13/17/1384651317.db2.gz UYOLTTYSGADFEH-MRXNPFEDSA-N 2 1 334.508 3.036 20 0 EGADMP CC1(C)C[C@@H]([NH2+]CCCN2CCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC001171963157 1384697537 /nfs/dbraw/zinc/69/75/37/1384697537.db2.gz GYECYQXJGYEVCO-IBGZPJMESA-N 2 1 343.515 3.032 20 0 EGADMP CC1(C)C[C@H]([NH2+]CCN2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC001171971373 1384699867 /nfs/dbraw/zinc/69/98/67/1384699867.db2.gz HIBHKNZMDBVLEE-LJQANCHMSA-N 2 1 347.572 3.068 20 0 EGADMP CC1(C)C[C@@H]([NH2+]CCOc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC001171983544 1384703329 /nfs/dbraw/zinc/70/33/29/1384703329.db2.gz PCNCTSJNMOYAHW-IBGZPJMESA-N 2 1 339.483 3.493 20 0 EGADMP C[N@H+]1C[C@@H]2CCCN([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)[C@@H]2C1 ZINC001171985981 1384703567 /nfs/dbraw/zinc/70/35/67/1384703567.db2.gz DWKMLODEDUQBTD-PCCBWWKXSA-N 2 1 341.543 3.456 20 0 EGADMP C[NH+]1C[C@@H]2CCCN([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)[C@@H]2C1 ZINC001171985981 1384703570 /nfs/dbraw/zinc/70/35/70/1384703570.db2.gz DWKMLODEDUQBTD-PCCBWWKXSA-N 2 1 341.543 3.456 20 0 EGADMP C[NH+]1C[C@@H]2CCCN([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)[C@@H]2C1 ZINC001171985981 1384703573 /nfs/dbraw/zinc/70/35/73/1384703573.db2.gz DWKMLODEDUQBTD-PCCBWWKXSA-N 2 1 341.543 3.456 20 0 EGADMP CC(=O)N[C@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984340 1384703820 /nfs/dbraw/zinc/70/38/20/1384703820.db2.gz KIYFSHASPJRMAY-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP CC(=O)N[C@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984340 1384703825 /nfs/dbraw/zinc/70/38/25/1384703825.db2.gz KIYFSHASPJRMAY-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP CC(=O)N[C@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984340 1384703829 /nfs/dbraw/zinc/70/38/29/1384703829.db2.gz KIYFSHASPJRMAY-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP CC(=O)N[C@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984340 1384703832 /nfs/dbraw/zinc/70/38/32/1384703832.db2.gz KIYFSHASPJRMAY-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP CC1(C)C[C@H]([NH2+]C[C@H](O)c2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC001171983805 1384704326 /nfs/dbraw/zinc/70/43/26/1384704326.db2.gz QCGRHQOGRIOEJL-QUCCMNQESA-N 2 1 339.483 3.148 20 0 EGADMP CC1(C)C[C@H]([NH2+]C[C@H](O)c2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC001171983805 1384704331 /nfs/dbraw/zinc/70/43/31/1384704331.db2.gz QCGRHQOGRIOEJL-QUCCMNQESA-N 2 1 339.483 3.148 20 0 EGADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988268 1384705037 /nfs/dbraw/zinc/70/50/37/1384705037.db2.gz QOAXPLFTLGXFMO-SLFFLAALSA-N 2 1 327.516 3.208 20 0 EGADMP C[NH+]1C[C@H]2CC[C@@H](C1)N2[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988268 1384705040 /nfs/dbraw/zinc/70/50/40/1384705040.db2.gz QOAXPLFTLGXFMO-SLFFLAALSA-N 2 1 327.516 3.208 20 0 EGADMP C[NH+]1C[C@H]2CC[C@@H](C1)N2[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988268 1384705043 /nfs/dbraw/zinc/70/50/43/1384705043.db2.gz QOAXPLFTLGXFMO-SLFFLAALSA-N 2 1 327.516 3.208 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001316935651 1384706979 /nfs/dbraw/zinc/70/69/79/1384706979.db2.gz NKBTZIFRHYXGQR-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3F)CCOCC1)C2 ZINC001172107775 1384728211 /nfs/dbraw/zinc/72/82/11/1384728211.db2.gz CCRGBWNUIAPOLZ-BJWYYQGGSA-N 2 1 332.463 3.436 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)C2 ZINC001172112102 1384729326 /nfs/dbraw/zinc/72/93/26/1384729326.db2.gz TTYJOFAPGHHHQI-ZHCJQAHYSA-N 2 1 337.508 3.037 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)C2 ZINC001172112102 1384729331 /nfs/dbraw/zinc/72/93/31/1384729331.db2.gz TTYJOFAPGHHHQI-ZHCJQAHYSA-N 2 1 337.508 3.037 20 0 EGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]([C@@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119048 1384732262 /nfs/dbraw/zinc/73/22/62/1384732262.db2.gz RSYAAWYYUSYUAA-RDGPPVDQSA-N 2 1 349.563 3.013 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(C[C@H](OCC4CC4)CO3)CC1)C2 ZINC001172119381 1384732473 /nfs/dbraw/zinc/73/24/73/1384732473.db2.gz UTZGQOLEXUKJED-NMLBUPMWSA-N 2 1 348.531 3.052 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(C[C@H](OCC4CC4)CO3)CC1)C2 ZINC001172119381 1384732478 /nfs/dbraw/zinc/73/24/78/1384732478.db2.gz UTZGQOLEXUKJED-NMLBUPMWSA-N 2 1 348.531 3.052 20 0 EGADMP Cc1ccc(C[NH+]2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001172121137 1384734556 /nfs/dbraw/zinc/73/45/56/1384734556.db2.gz IAFPVKUZLSGIJV-AERCQKQUSA-N 2 1 327.516 3.128 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124950 1384734781 /nfs/dbraw/zinc/73/47/81/1384734781.db2.gz NCTIWWPYVROBMY-WJMWBRGCSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccc2)CCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124950 1384734782 /nfs/dbraw/zinc/73/47/82/1384734782.db2.gz NCTIWWPYVROBMY-WJMWBRGCSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccc2)CCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124950 1384734785 /nfs/dbraw/zinc/73/47/85/1384734785.db2.gz NCTIWWPYVROBMY-WJMWBRGCSA-N 2 1 327.516 3.208 20 0 EGADMP CC(C)OCC[NH+](CCOC(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123078 1384735000 /nfs/dbraw/zinc/73/50/00/1384735000.db2.gz XLYDLRCTFHGNHP-BWTSREIZSA-N 2 1 326.525 3.154 20 0 EGADMP Cc1cccc(OC2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC001172129545 1384738169 /nfs/dbraw/zinc/73/81/69/1384738169.db2.gz CIQWZFTZNQIYLG-BCDXTJNWSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1cccc(OC2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC001172129545 1384738173 /nfs/dbraw/zinc/73/81/73/1384738173.db2.gz CIQWZFTZNQIYLG-BCDXTJNWSA-N 2 1 329.488 3.249 20 0 EGADMP COCCC[NH+]1CCC([NH+]2CCC3(CC2)OCc2ccccc23)CC1 ZINC001172256273 1384756713 /nfs/dbraw/zinc/75/67/13/1384756713.db2.gz VJGZFFPPXYSMIK-UHFFFAOYSA-N 2 1 344.499 3.009 20 0 EGADMP CC[C@@H](C)OCC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001172315185 1384767732 /nfs/dbraw/zinc/76/77/32/1384767732.db2.gz FZQXFBHSYQGVBL-RBUKOAKNSA-N 2 1 347.547 3.117 20 0 EGADMP C[C@@H]1CC[C@@H]([N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)C[C@@H]1C ZINC001172376249 1384779926 /nfs/dbraw/zinc/77/99/26/1384779926.db2.gz UFLQMEFNPJUELO-FGTMMUONSA-N 2 1 330.520 3.162 20 0 EGADMP CC(C)COCC[C@@H](C)[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172465942 1384798840 /nfs/dbraw/zinc/79/88/40/1384798840.db2.gz JHWZSDXHKNCQKW-UXHICEINSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)COCC[C@@H](C)[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172465942 1384798843 /nfs/dbraw/zinc/79/88/43/1384798843.db2.gz JHWZSDXHKNCQKW-UXHICEINSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)COCC[C@@H](C)[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001172465942 1384798845 /nfs/dbraw/zinc/79/88/45/1384798845.db2.gz JHWZSDXHKNCQKW-UXHICEINSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)COCC[C@@H](C)[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001172465942 1384798847 /nfs/dbraw/zinc/79/88/47/1384798847.db2.gz JHWZSDXHKNCQKW-UXHICEINSA-N 2 1 340.552 3.260 20 0 EGADMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172543090 1384810133 /nfs/dbraw/zinc/81/01/33/1384810133.db2.gz KRAXLOHCXIKVCS-PLACYPQZSA-N 2 1 328.500 3.365 20 0 EGADMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172543090 1384810135 /nfs/dbraw/zinc/81/01/35/1384810135.db2.gz KRAXLOHCXIKVCS-PLACYPQZSA-N 2 1 328.500 3.365 20 0 EGADMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172543090 1384810136 /nfs/dbraw/zinc/81/01/36/1384810136.db2.gz KRAXLOHCXIKVCS-PLACYPQZSA-N 2 1 328.500 3.365 20 0 EGADMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172543090 1384810138 /nfs/dbraw/zinc/81/01/38/1384810138.db2.gz KRAXLOHCXIKVCS-PLACYPQZSA-N 2 1 328.500 3.365 20 0 EGADMP [NH3+]C1(Cc2cccnc2)CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172711173 1384834395 /nfs/dbraw/zinc/83/43/95/1384834395.db2.gz AKJXKSILBZPUHY-LJQANCHMSA-N 2 1 341.886 3.238 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001317065021 1384835141 /nfs/dbraw/zinc/83/51/41/1384835141.db2.gz OEZSUZTWKCPMEC-MSOLQXFVSA-N 2 1 345.531 3.224 20 0 EGADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172818182 1384858024 /nfs/dbraw/zinc/85/80/24/1384858024.db2.gz IGULNNWLWJVTRS-ACBHZAAOSA-N 2 1 332.488 3.048 20 0 EGADMP CC[NH+](CC)C1CC[NH+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172965712 1384891809 /nfs/dbraw/zinc/89/18/09/1384891809.db2.gz VRBQMZQGJBXWGM-MRXNPFEDSA-N 2 1 341.540 3.438 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](Oc3cccc(OC)n3)C2)CC1 ZINC001173113987 1384917822 /nfs/dbraw/zinc/91/78/22/1384917822.db2.gz RAPBPWZARQGLMM-ABHNRTSZSA-N 2 1 347.503 3.196 20 0 EGADMP CC[N@H+]1CC[C@H](N2CCC([NH3+])(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001173355041 1384963616 /nfs/dbraw/zinc/96/36/16/1384963616.db2.gz WGLRVSMDKZQUEK-INIZCTEOSA-N 2 1 341.421 3.049 20 0 EGADMP CC[N@H+]1CC[C@H](N2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)C1 ZINC001173354828 1384963769 /nfs/dbraw/zinc/96/37/69/1384963769.db2.gz STTYIADCBXVQGI-AWEZNQCLSA-N 2 1 341.421 3.049 20 0 EGADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001173360160 1384964373 /nfs/dbraw/zinc/96/43/73/1384964373.db2.gz HVZOMDUPTDOIMC-QGZVKYPTSA-N 2 1 347.572 3.375 20 0 EGADMP CCN1CC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001173360160 1384964374 /nfs/dbraw/zinc/96/43/74/1384964374.db2.gz HVZOMDUPTDOIMC-QGZVKYPTSA-N 2 1 347.572 3.375 20 0 EGADMP CCN1CC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001173360160 1384964377 /nfs/dbraw/zinc/96/43/77/1384964377.db2.gz HVZOMDUPTDOIMC-QGZVKYPTSA-N 2 1 347.572 3.375 20 0 EGADMP CC[N@@H+]1CC[C@H](N2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001173360160 1384964379 /nfs/dbraw/zinc/96/43/79/1384964379.db2.gz HVZOMDUPTDOIMC-QGZVKYPTSA-N 2 1 347.572 3.375 20 0 EGADMP CC[N@H+]1CC[C@H](N2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001173360160 1384964380 /nfs/dbraw/zinc/96/43/80/1384964380.db2.gz HVZOMDUPTDOIMC-QGZVKYPTSA-N 2 1 347.572 3.375 20 0 EGADMP CC[NH+]1CC[C@H](N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001173360160 1384964382 /nfs/dbraw/zinc/96/43/82/1384964382.db2.gz HVZOMDUPTDOIMC-QGZVKYPTSA-N 2 1 347.572 3.375 20 0 EGADMP CC[NH+]1CC[C@H](N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001173360160 1384964384 /nfs/dbraw/zinc/96/43/84/1384964384.db2.gz HVZOMDUPTDOIMC-QGZVKYPTSA-N 2 1 347.572 3.375 20 0 EGADMP CCOC(=O)[C@@H]1CC12CCC([NH2+]CCC[N@H+]1CCCC[C@@H]1C)CC2 ZINC001173605677 1384986735 /nfs/dbraw/zinc/98/67/35/1384986735.db2.gz XRVOJBFGVCWNDX-FFEBTUMSSA-N 2 1 336.520 3.353 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])C1 ZINC001173647344 1384995528 /nfs/dbraw/zinc/99/55/28/1384995528.db2.gz BIOQBGCYZGTCSU-QXAKKESOSA-N 2 1 332.488 3.205 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)C1 ZINC001173654716 1384996611 /nfs/dbraw/zinc/99/66/11/1384996611.db2.gz SSTLGYPHVBVVRN-QRVBRYPASA-N 2 1 336.520 3.449 20 0 EGADMP CC(=O)Oc1ccc(C2CCC([NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)CC2)cc1 ZINC001173792801 1385017358 /nfs/dbraw/zinc/01/73/58/1385017358.db2.gz CMIHJDFCOKAORA-JUNHRQJPSA-N 2 1 342.483 3.132 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC2CCC2)C1 ZINC001174880855 1385164051 /nfs/dbraw/zinc/16/40/51/1385164051.db2.gz IHJPOSULIRMILN-PKOBYXMFSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC2CCC2)C1 ZINC001174880850 1385164183 /nfs/dbraw/zinc/16/41/83/1385164183.db2.gz IHJPOSULIRMILN-HKUYNNGSSA-N 2 1 337.552 3.173 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1ccc(C)c(C)c1 ZINC001317478388 1385174353 /nfs/dbraw/zinc/17/43/53/1385174353.db2.gz IRJMGLBSODMFCE-HXUWFJFHSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)Cc1ccc(C)c(C)c1 ZINC001317478388 1385174354 /nfs/dbraw/zinc/17/43/54/1385174354.db2.gz IRJMGLBSODMFCE-HXUWFJFHSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)Cc1ccc(C)c(C)c1 ZINC001317478388 1385174356 /nfs/dbraw/zinc/17/43/56/1385174356.db2.gz IRJMGLBSODMFCE-HXUWFJFHSA-N 2 1 345.531 3.114 20 0 EGADMP CC1CC(C[N@H+]2CCC[C@@H]2CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317501154 1385202611 /nfs/dbraw/zinc/20/26/11/1385202611.db2.gz KDWXLORUNKDBTE-AFMYVXGZSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CC(C[NH+]2CCC[C@@H]2CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317501154 1385202619 /nfs/dbraw/zinc/20/26/19/1385202619.db2.gz KDWXLORUNKDBTE-AFMYVXGZSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CC(C[NH+]2CCC[C@@H]2CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317501154 1385202623 /nfs/dbraw/zinc/20/26/23/1385202623.db2.gz KDWXLORUNKDBTE-AFMYVXGZSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175264767 1385234319 /nfs/dbraw/zinc/23/43/19/1385234319.db2.gz VVZIACXBVXMYFY-PKOBYXMFSA-N 2 1 345.531 3.101 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317520619 1385239193 /nfs/dbraw/zinc/23/91/93/1385239193.db2.gz PEFDUSXEBSCKMQ-HKUYNNGSSA-N 2 1 343.515 3.060 20 0 EGADMP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C[C@H](O)c2cccc(F)c2)CC1 ZINC001175353189 1385263767 /nfs/dbraw/zinc/26/37/67/1385263767.db2.gz VAXHGUSLOYSPRS-PMACEKPBSA-N 2 1 334.479 3.446 20 0 EGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@H](O)c2cccc(F)c2)CC1 ZINC001175353189 1385263770 /nfs/dbraw/zinc/26/37/70/1385263770.db2.gz VAXHGUSLOYSPRS-PMACEKPBSA-N 2 1 334.479 3.446 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@H](C)c1ccccc1 ZINC001317541729 1385281458 /nfs/dbraw/zinc/28/14/58/1385281458.db2.gz ZWJJXLIDXKEAMI-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[C@H](C)c1ccccc1 ZINC001317541729 1385281461 /nfs/dbraw/zinc/28/14/61/1385281461.db2.gz ZWJJXLIDXKEAMI-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)[C@H](C)c1ccccc1 ZINC001317541729 1385281464 /nfs/dbraw/zinc/28/14/64/1385281464.db2.gz ZWJJXLIDXKEAMI-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH2+]C/C=C\Cl ZINC001175529447 1385322804 /nfs/dbraw/zinc/32/28/04/1385322804.db2.gz WMRPQNHQMSNNBD-LYASGUKUSA-N 2 1 340.899 3.024 20 0 EGADMP CCCN(C(=O)CCCn1cc[nH+]c1C)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001317767020 1385456799 /nfs/dbraw/zinc/45/67/99/1385456799.db2.gz KSDJWWVVFQOXFI-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CCCN(C(=O)CCCn1cc[nH+]c1C)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001317767020 1385456800 /nfs/dbraw/zinc/45/68/00/1385456800.db2.gz KSDJWWVVFQOXFI-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001176022664 1385463712 /nfs/dbraw/zinc/46/37/12/1385463712.db2.gz CKBXAGUTGHZATL-FXAWDEMLSA-N 2 1 345.531 3.280 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176164646 1385500370 /nfs/dbraw/zinc/50/03/70/1385500370.db2.gz CTXVNVQQFVJXPM-PKOBYXMFSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176165467 1385501040 /nfs/dbraw/zinc/50/10/40/1385501040.db2.gz MPNXPDLGJNIYLR-PKOBYXMFSA-N 2 1 337.552 3.173 20 0 EGADMP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001176267848 1385532310 /nfs/dbraw/zinc/53/23/10/1385532310.db2.gz GIQKNJRUJQQHSF-JTHGQSKGSA-N 2 1 325.541 3.339 20 0 EGADMP Cc1ccc(CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001176754617 1385685304 /nfs/dbraw/zinc/68/53/04/1385685304.db2.gz WUWRYMRLTCBXPH-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001318429729 1385685510 /nfs/dbraw/zinc/68/55/10/1385685510.db2.gz SMRVEVBNKQEAOL-MSOLQXFVSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001318429729 1385685513 /nfs/dbraw/zinc/68/55/13/1385685513.db2.gz SMRVEVBNKQEAOL-MSOLQXFVSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001318429729 1385685519 /nfs/dbraw/zinc/68/55/19/1385685519.db2.gz SMRVEVBNKQEAOL-MSOLQXFVSA-N 2 1 339.568 3.179 20 0 EGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001176760153 1385687019 /nfs/dbraw/zinc/68/70/19/1385687019.db2.gz QJNGLWXLODHCDR-MJGOQNOKSA-N 2 1 333.520 3.354 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001176986014 1385764511 /nfs/dbraw/zinc/76/45/11/1385764511.db2.gz AZXKKLXDDASCOX-SFHVURJKSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+]([C@H]2CCc3c2cccc3F)CC1 ZINC001318954480 1385895944 /nfs/dbraw/zinc/89/59/44/1385895944.db2.gz UWBYOKDBCJQFRK-LZJOCLMNSA-N 2 1 345.506 3.303 20 0 EGADMP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001177339943 1385920477 /nfs/dbraw/zinc/92/04/77/1385920477.db2.gz WCEZNJZHJNWUQA-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CCC[C@H]1C ZINC001177415685 1385948561 /nfs/dbraw/zinc/94/85/61/1385948561.db2.gz IGSXIFMRNMBQGD-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001177415732 1385948898 /nfs/dbraw/zinc/94/88/98/1385948898.db2.gz JUZFFHVJIMXRJF-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001177467254 1385967296 /nfs/dbraw/zinc/96/72/96/1385967296.db2.gz YIRGJBWTJWIXNH-IBGZPJMESA-N 2 1 337.552 3.127 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)c(C)c1 ZINC001319395837 1386102474 /nfs/dbraw/zinc/10/24/74/1386102474.db2.gz ZJCWUOOFZCQLIP-WDSOQIARSA-N 2 1 331.504 3.483 20 0 EGADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(F)cc1F ZINC001178291046 1386180841 /nfs/dbraw/zinc/18/08/41/1386180841.db2.gz REUBJEYYLXOJAP-LJQANCHMSA-N 2 1 346.421 3.211 20 0 EGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(F)cc1F ZINC001178291046 1386180845 /nfs/dbraw/zinc/18/08/45/1386180845.db2.gz REUBJEYYLXOJAP-LJQANCHMSA-N 2 1 346.421 3.211 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001178471639 1386227367 /nfs/dbraw/zinc/22/73/67/1386227367.db2.gz GTVLQIGDNJFNOL-SFHVURJKSA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001178634070 1386265146 /nfs/dbraw/zinc/26/51/46/1386265146.db2.gz NHTMXYHKKWQKAU-HXUWFJFHSA-N 2 1 345.531 3.327 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)[C@H](C)C1 ZINC001319714906 1386265980 /nfs/dbraw/zinc/26/59/80/1386265980.db2.gz PZAHXSVAEDTMHG-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2sc(N3CCCCC3)nc2C)C1 ZINC001319718931 1386267059 /nfs/dbraw/zinc/26/70/59/1386267059.db2.gz SOMLKIMXXYHBIH-MRXNPFEDSA-N 2 1 336.549 3.215 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2sc(N3CCCCC3)nc2C)C1 ZINC001319718931 1386267062 /nfs/dbraw/zinc/26/70/62/1386267062.db2.gz SOMLKIMXXYHBIH-MRXNPFEDSA-N 2 1 336.549 3.215 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2sc(N3CCCCC3)nc2C)C1 ZINC001319718931 1386267065 /nfs/dbraw/zinc/26/70/65/1386267065.db2.gz SOMLKIMXXYHBIH-MRXNPFEDSA-N 2 1 336.549 3.215 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2sc(N3CCCCC3)nc2C)C1 ZINC001319718931 1386267069 /nfs/dbraw/zinc/26/70/69/1386267069.db2.gz SOMLKIMXXYHBIH-MRXNPFEDSA-N 2 1 336.549 3.215 20 0 EGADMP O=C(NCCCCCC[NH2+]CCCF)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001178692991 1386279978 /nfs/dbraw/zinc/27/99/78/1386279978.db2.gz GECXOBXMFCKJAH-SFHVURJKSA-N 2 1 341.515 3.019 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001178729365 1386291672 /nfs/dbraw/zinc/29/16/72/1386291672.db2.gz VMXYFUJWGZQZMS-FQEVSTJZSA-N 2 1 345.531 3.327 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001178810350 1386314473 /nfs/dbraw/zinc/31/44/73/1386314473.db2.gz CUQPKDBKVKQLAR-RBUKOAKNSA-N 2 1 335.536 3.236 20 0 EGADMP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001178832790 1386322431 /nfs/dbraw/zinc/32/24/31/1386322431.db2.gz KZXFVQLQAZNLLG-ICSRJNTNSA-N 2 1 345.531 3.498 20 0 EGADMP C[N@@H+](CC(=O)N[C@@](C)(C[NH2+]Cc1ccccc1)C1CC1)CC(C)(C)C ZINC001698648960 1406298256 /nfs/dbraw/zinc/29/82/56/1406298256.db2.gz JUBWMAXBNZHGFD-NRFANRHFSA-N 2 1 345.531 3.039 20 0 EGADMP CCc1ccc(C[N@@H+](C)CCN(C)C(=O)CC[NH+]2CCCCC2)cc1 ZINC001320090399 1386504924 /nfs/dbraw/zinc/50/49/24/1386504924.db2.gz LGDIXAKWSMEVFA-UHFFFAOYSA-N 2 1 345.531 3.015 20 0 EGADMP CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001179746819 1386571076 /nfs/dbraw/zinc/57/10/76/1386571076.db2.gz YSQUDYUNDKPIHS-GOSISDBHSA-N 2 1 325.541 3.316 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)NCCCCCC[NH2+]Cc1ccsc1 ZINC001179777360 1386581322 /nfs/dbraw/zinc/58/13/22/1386581322.db2.gz VFFOGWIZBWUZPG-OAHLLOKOSA-N 2 1 348.516 3.116 20 0 EGADMP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001179777374 1386581991 /nfs/dbraw/zinc/58/19/91/1386581991.db2.gz VQLXNQCBNRKXTQ-QGZVFWFLSA-N 2 1 336.524 3.291 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179788307 1386586812 /nfs/dbraw/zinc/58/68/12/1386586812.db2.gz VHGSCWZAQASJFO-RBUKOAKNSA-N 2 1 335.536 3.236 20 0 EGADMP CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)CCC)[C@H]2C)cc1 ZINC001179987307 1386658714 /nfs/dbraw/zinc/65/87/14/1386658714.db2.gz PMNNMXPJGFBIRU-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001179988242 1386659656 /nfs/dbraw/zinc/65/96/56/1386659656.db2.gz DOZAGRWDVNHXNG-UHFFFAOYSA-N 2 1 337.552 3.175 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001180299256 1386758793 /nfs/dbraw/zinc/75/87/93/1386758793.db2.gz OHFSVGDSICXJFO-ICSRJNTNSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001180299256 1386758797 /nfs/dbraw/zinc/75/87/97/1386758797.db2.gz OHFSVGDSICXJFO-ICSRJNTNSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CCc1ccccc1 ZINC001321201648 1386840104 /nfs/dbraw/zinc/84/01/04/1386840104.db2.gz VHLZOIVXJORBTF-UHFFFAOYSA-N 2 1 331.548 3.356 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001698674685 1406323163 /nfs/dbraw/zinc/32/31/63/1406323163.db2.gz ROULXFDNEJLXAM-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)(C)OC(=O)C1CC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001181276066 1386970801 /nfs/dbraw/zinc/97/08/01/1386970801.db2.gz IRKXEWKPIZILLO-LEOMRAHMSA-N 2 1 336.520 3.493 20 0 EGADMP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001181672684 1387036329 /nfs/dbraw/zinc/03/63/29/1387036329.db2.gz YWWDABYVIFEXGM-QLUPPNIVSA-N 2 1 349.563 3.291 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001181994946 1387090161 /nfs/dbraw/zinc/09/01/61/1387090161.db2.gz CESATMGMGZIZFM-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001322267941 1387128613 /nfs/dbraw/zinc/12/86/13/1387128613.db2.gz AGYCUPHZQZPEEL-QUCCMNQESA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001182345502 1387153280 /nfs/dbraw/zinc/15/32/80/1387153280.db2.gz BDNGEOIYJZXEFI-SLYNCCJLSA-N 2 1 349.563 3.266 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccccc3N3CCCC3)C2)C1 ZINC001329612548 1389184305 /nfs/dbraw/zinc/18/43/05/1389184305.db2.gz NDFZJYBZCTULDN-SBHAEUEKSA-N 2 1 343.515 3.005 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(Cl)c(F)c1 ZINC001330608574 1389468449 /nfs/dbraw/zinc/46/84/49/1389468449.db2.gz QJDWABMWUAXPBK-GFCCVEGCSA-N 2 1 328.859 3.365 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)[C@H](C)c2cccc(F)c2)CC1 ZINC001331069554 1389619023 /nfs/dbraw/zinc/61/90/23/1389619023.db2.gz YXVYLZVJAWJBTQ-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2cc(C)ccc2C)[C@@H]1C ZINC001332219375 1390050358 /nfs/dbraw/zinc/05/03/58/1390050358.db2.gz NUWTYXLKMWBMJK-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)ccc2C)[C@@H]1C ZINC001332219375 1390050362 /nfs/dbraw/zinc/05/03/62/1390050362.db2.gz NUWTYXLKMWBMJK-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)ccc2C)[C@@H]1C ZINC001332219375 1390050365 /nfs/dbraw/zinc/05/03/65/1390050365.db2.gz NUWTYXLKMWBMJK-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCc1onc(C)c1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001333669101 1390369602 /nfs/dbraw/zinc/36/96/02/1390369602.db2.gz VHNTUYZENRHEDL-SFHVURJKSA-N 2 1 327.472 3.200 20 0 EGADMP CCc1onc(C)c1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001333669101 1390369607 /nfs/dbraw/zinc/36/96/07/1390369607.db2.gz VHNTUYZENRHEDL-SFHVURJKSA-N 2 1 327.472 3.200 20 0 EGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)o1 ZINC001334358043 1390524560 /nfs/dbraw/zinc/52/45/60/1390524560.db2.gz WJSBUBBCKPPMBG-ZOBUZTSGSA-N 2 1 328.460 3.140 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC001342063170 1390566911 /nfs/dbraw/zinc/56/69/11/1390566911.db2.gz MBFKESAJRGLIJP-ZIFCJYIRSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001342063170 1390566913 /nfs/dbraw/zinc/56/69/13/1390566913.db2.gz MBFKESAJRGLIJP-ZIFCJYIRSA-N 2 1 335.536 3.020 20 0 EGADMP Cn1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(-c2cccs2)n1 ZINC001335132980 1390646649 /nfs/dbraw/zinc/64/66/49/1390646649.db2.gz AEVVSDUZOCUJPY-YQQAZPJKSA-N 2 1 344.528 3.311 20 0 EGADMP C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)CC2)CC1 ZINC001348765797 1391264139 /nfs/dbraw/zinc/26/41/39/1391264139.db2.gz KTEGGNLCIZETOL-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001480267414 1392651926 /nfs/dbraw/zinc/65/19/26/1392651926.db2.gz MQPRZCMEOLKIGJ-FQEVSTJZSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC001480267414 1392651927 /nfs/dbraw/zinc/65/19/27/1392651927.db2.gz MQPRZCMEOLKIGJ-FQEVSTJZSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001480267414 1392651928 /nfs/dbraw/zinc/65/19/28/1392651928.db2.gz MQPRZCMEOLKIGJ-FQEVSTJZSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001480740238 1392905820 /nfs/dbraw/zinc/90/58/20/1392905820.db2.gz XARGVAAVNJNCPU-UYAOXDASSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001480740238 1392905825 /nfs/dbraw/zinc/90/58/25/1392905825.db2.gz XARGVAAVNJNCPU-UYAOXDASSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001480740238 1392905827 /nfs/dbraw/zinc/90/58/27/1392905827.db2.gz XARGVAAVNJNCPU-UYAOXDASSA-N 2 1 345.531 3.321 20 0 EGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480849346 1392981703 /nfs/dbraw/zinc/98/17/03/1392981703.db2.gz WPLLEVPKVCXTQZ-LPHOPBHVSA-N 2 1 345.531 3.187 20 0 EGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480849346 1392981707 /nfs/dbraw/zinc/98/17/07/1392981707.db2.gz WPLLEVPKVCXTQZ-LPHOPBHVSA-N 2 1 345.531 3.187 20 0 EGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001480849346 1392981712 /nfs/dbraw/zinc/98/17/12/1392981712.db2.gz WPLLEVPKVCXTQZ-LPHOPBHVSA-N 2 1 345.531 3.187 20 0 EGADMP C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CC1CCCCC1 ZINC001480905014 1393009524 /nfs/dbraw/zinc/00/95/24/1393009524.db2.gz PGJHJGDSRFWXGQ-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)CC1CCCCC1 ZINC001480905014 1393009530 /nfs/dbraw/zinc/00/95/30/1393009530.db2.gz PGJHJGDSRFWXGQ-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)CC1CCCCC1 ZINC001480905014 1393009536 /nfs/dbraw/zinc/00/95/36/1393009536.db2.gz PGJHJGDSRFWXGQ-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](CCNC(=O)c1sccc1C[NH+](C)C)Cc1ccccc1 ZINC001480977732 1393063199 /nfs/dbraw/zinc/06/31/99/1393063199.db2.gz SLAVKAQTCUBAIZ-UHFFFAOYSA-N 2 1 345.512 3.062 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001481340149 1393167657 /nfs/dbraw/zinc/16/76/57/1393167657.db2.gz OTWUEAQTCGHZHA-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1CC[NH+](CCC2CCCC2)C1)C1CCCCC1 ZINC001490553682 1394254918 /nfs/dbraw/zinc/25/49/18/1394254918.db2.gz ZODCWRFCVWKIPP-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1)C1CCCCC1 ZINC001490553682 1394254922 /nfs/dbraw/zinc/25/49/22/1394254922.db2.gz ZODCWRFCVWKIPP-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1)C1CCCCC1 ZINC001490553682 1394254927 /nfs/dbraw/zinc/25/49/27/1394254927.db2.gz ZODCWRFCVWKIPP-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491109840 1394431093 /nfs/dbraw/zinc/43/10/93/1394431093.db2.gz NHBBGOITUQMOPL-MSOLQXFVSA-N 2 1 343.515 3.060 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001491120636 1394439608 /nfs/dbraw/zinc/43/96/08/1394439608.db2.gz PIPFKMJPAZMXPN-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CC[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1)c1ccccc1 ZINC001491181091 1394461231 /nfs/dbraw/zinc/46/12/31/1394461231.db2.gz ZGBWZTBYAMPDLF-UYAOXDASSA-N 2 1 345.531 3.308 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](CC3CCCCC3)C2)CCCCC1 ZINC001481704653 1394462570 /nfs/dbraw/zinc/46/25/70/1394462570.db2.gz FTOXBURQGZBTTJ-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481708194 1394465922 /nfs/dbraw/zinc/46/59/22/1394465922.db2.gz MJUSMOBXOAERKL-UXHICEINSA-N 2 1 345.531 3.306 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481708194 1394465924 /nfs/dbraw/zinc/46/59/24/1394465924.db2.gz MJUSMOBXOAERKL-UXHICEINSA-N 2 1 345.531 3.306 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001481708194 1394465928 /nfs/dbraw/zinc/46/59/28/1394465928.db2.gz MJUSMOBXOAERKL-UXHICEINSA-N 2 1 345.531 3.306 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001481708194 1394465931 /nfs/dbraw/zinc/46/59/31/1394465931.db2.gz MJUSMOBXOAERKL-UXHICEINSA-N 2 1 345.531 3.306 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001482055869 1394717920 /nfs/dbraw/zinc/71/79/20/1394717920.db2.gz KWXVDUUPGXBPGV-HOHRJFBBSA-N 2 1 335.536 3.044 20 0 EGADMP Cc1cc(C)cc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001482100342 1394747020 /nfs/dbraw/zinc/74/70/20/1394747020.db2.gz DDJSBIUMAARQOH-AZUAARDMSA-N 2 1 345.531 3.018 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCCc2ccccc21 ZINC001482356448 1394919609 /nfs/dbraw/zinc/91/96/09/1394919609.db2.gz NSOMWAWGQADLEU-PXNSSMCTSA-N 2 1 345.531 3.232 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@H](C)C1 ZINC001482433137 1394994149 /nfs/dbraw/zinc/99/41/49/1394994149.db2.gz JDESKHIKYMNGHO-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1nccn1CCCC(=O)N1CCC(CC[N@H+](C)CC(C)C)CC1 ZINC001482508209 1395061561 /nfs/dbraw/zinc/06/15/61/1395061561.db2.gz ZJFNQUOFXQRLQB-UHFFFAOYSA-N 2 1 348.535 3.188 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC(CC[N@@H+](C)CC(C)C)CC1 ZINC001482508209 1395061567 /nfs/dbraw/zinc/06/15/67/1395061567.db2.gz ZJFNQUOFXQRLQB-UHFFFAOYSA-N 2 1 348.535 3.188 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC(CC[N@H+](C)CC(C)C)CC1 ZINC001482508209 1395061571 /nfs/dbraw/zinc/06/15/71/1395061571.db2.gz ZJFNQUOFXQRLQB-UHFFFAOYSA-N 2 1 348.535 3.188 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C)CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001483974365 1395170701 /nfs/dbraw/zinc/17/07/01/1395170701.db2.gz AHGMSZQXSISXPR-UHFFFAOYSA-N 2 1 345.531 3.116 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1)[NH+](C)C ZINC001484390539 1395359401 /nfs/dbraw/zinc/35/94/01/1395359401.db2.gz GPFPCBGPQDOUGX-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)c1 ZINC001484977061 1395617047 /nfs/dbraw/zinc/61/70/47/1395617047.db2.gz PNRMMYWQSQUUAV-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1ccc(C)c(C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001485389769 1395879969 /nfs/dbraw/zinc/87/99/69/1395879969.db2.gz VJRAINTZFBXIMS-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)[C@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC1CCCCC1 ZINC001485427206 1395892438 /nfs/dbraw/zinc/89/24/38/1395892438.db2.gz ADEHBJJNQRVXJT-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CCCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001485483516 1395969019 /nfs/dbraw/zinc/96/90/19/1395969019.db2.gz ZRNNCQVVPKKBFH-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001485531895 1396002774 /nfs/dbraw/zinc/00/27/74/1396002774.db2.gz BGHVVLLAMCXNOK-HOTGVXAUSA-N 2 1 349.494 3.055 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1)CC(C)(C)C ZINC001501170479 1396188933 /nfs/dbraw/zinc/18/89/33/1396188933.db2.gz WKIJWVIXGGNSCT-REPLKXPHSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)CC(C)(C)C ZINC001501170479 1396188934 /nfs/dbraw/zinc/18/89/34/1396188934.db2.gz WKIJWVIXGGNSCT-REPLKXPHSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)CC(C)(C)C ZINC001501170479 1396188936 /nfs/dbraw/zinc/18/89/36/1396188936.db2.gz WKIJWVIXGGNSCT-REPLKXPHSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1cccc(F)c1 ZINC001505410355 1396293996 /nfs/dbraw/zinc/29/39/96/1396293996.db2.gz IATDIZNABCUQGB-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H](CC)c2ccc(F)cc2)C1 ZINC001494294049 1396421728 /nfs/dbraw/zinc/42/17/28/1396421728.db2.gz OQQQEUMTIOTKLI-MOPGFXCFSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](CC)c2ccc(F)cc2)C1 ZINC001494294049 1396421729 /nfs/dbraw/zinc/42/17/29/1396421729.db2.gz OQQQEUMTIOTKLI-MOPGFXCFSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H](CC)c2ccc(F)cc2)C1 ZINC001494294049 1396421731 /nfs/dbraw/zinc/42/17/31/1396421731.db2.gz OQQQEUMTIOTKLI-MOPGFXCFSA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)c1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)CCn1ccnc1 ZINC001498350793 1396971795 /nfs/dbraw/zinc/97/17/95/1396971795.db2.gz TUDAZGGZOKNVPU-QGZVFWFLSA-N 2 1 342.487 3.033 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001690029056 1404267363 /nfs/dbraw/zinc/26/73/63/1404267363.db2.gz RLSAGIHGJXUDMH-KRWDZBQOSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001690388748 1404525567 /nfs/dbraw/zinc/52/55/67/1404525567.db2.gz PCDYNAXPIOTWQH-AZUAARDMSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001690391625 1404531516 /nfs/dbraw/zinc/53/15/16/1404531516.db2.gz FGSLTQDPSVTMPP-UYAOXDASSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]([C@H](CC)c2ccccc2)C1 ZINC001690391625 1404531521 /nfs/dbraw/zinc/53/15/21/1404531521.db2.gz FGSLTQDPSVTMPP-UYAOXDASSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC001690391625 1404531524 /nfs/dbraw/zinc/53/15/24/1404531524.db2.gz FGSLTQDPSVTMPP-UYAOXDASSA-N 2 1 345.531 3.308 20 0 EGADMP CCc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CCC[NH+](C)C)cc1 ZINC001690453184 1404580148 /nfs/dbraw/zinc/58/01/48/1404580148.db2.gz SZMKYYSBHJOBQM-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CC[C@@H]([NH2+]C1CCC(NC(=O)CC[N@@H+](C)CC)CC1)c1ccccc1 ZINC001690542929 1404627537 /nfs/dbraw/zinc/62/75/37/1404627537.db2.gz IGRFQTQMNDMDBZ-SOAGJPPSSA-N 2 1 345.531 3.497 20 0 EGADMP CCc1ccccc1C[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001690981881 1404894743 /nfs/dbraw/zinc/89/47/43/1404894743.db2.gz IOIHDIWHJGGSHT-GOSISDBHSA-N 2 1 345.531 3.062 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@H](C)c1ccccc1 ZINC001690982140 1404896135 /nfs/dbraw/zinc/89/61/35/1404896135.db2.gz QLAFIKLURRTFMF-IEBWSBKVSA-N 2 1 331.504 3.059 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)[C@H](C)c1ccccc1 ZINC001690982140 1404896138 /nfs/dbraw/zinc/89/61/38/1404896138.db2.gz QLAFIKLURRTFMF-IEBWSBKVSA-N 2 1 331.504 3.059 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)[C@H](C)c1ccccc1 ZINC001690982140 1404896140 /nfs/dbraw/zinc/89/61/40/1404896140.db2.gz QLAFIKLURRTFMF-IEBWSBKVSA-N 2 1 331.504 3.059 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)Cc1cccc(C)c1 ZINC001691029582 1404939248 /nfs/dbraw/zinc/93/92/48/1404939248.db2.gz KRHGTLXJSVLGSU-FQEVSTJZSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)Cc1cccc(C)c1 ZINC001691029582 1404939252 /nfs/dbraw/zinc/93/92/52/1404939252.db2.gz KRHGTLXJSVLGSU-FQEVSTJZSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)Cc1cccc(C)c1 ZINC001691029582 1404939256 /nfs/dbraw/zinc/93/92/56/1404939256.db2.gz KRHGTLXJSVLGSU-FQEVSTJZSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001691441364 1405271418 /nfs/dbraw/zinc/27/14/18/1405271418.db2.gz OPSCDYYFAZVQEX-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001691814642 1405529473 /nfs/dbraw/zinc/52/94/73/1405529473.db2.gz DHXSWYBKPBXOLQ-LNLFQRSKSA-N 2 1 345.531 3.210 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H](C[N@@H+](C)CCCC2CCCC2)C1)C1CCC1 ZINC001691966032 1405682798 /nfs/dbraw/zinc/68/27/98/1405682798.db2.gz YOKPZZWPJMWAKG-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001691966032 1405682800 /nfs/dbraw/zinc/68/28/00/1405682800.db2.gz YOKPZZWPJMWAKG-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001691966032 1405682805 /nfs/dbraw/zinc/68/28/05/1405682805.db2.gz YOKPZZWPJMWAKG-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)NC1C[NH+]([C@@H](C)c2cccc3ccccc32)C1)[NH+](C)C ZINC001692206895 1405844375 /nfs/dbraw/zinc/84/43/75/1405844375.db2.gz LPMDINIMLLXYJR-MGPUTAFESA-N 2 1 339.483 3.041 20 0 EGADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)c1cccc2ccccc21 ZINC001731899145 1428164972 /nfs/dbraw/zinc/16/49/72/1428164972.db2.gz SIBUCZHXBCYRHV-JXFKEZNVSA-N 2 1 339.483 3.043 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC001698585094 1406200624 /nfs/dbraw/zinc/20/06/24/1406200624.db2.gz JVTZHYQSFCYNQO-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP O=C(NCC[C@@H]1CC[N@@H+](CCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001732051375 1428290979 /nfs/dbraw/zinc/29/09/79/1428290979.db2.gz SQZOOTBFLWIFFJ-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001732090257 1428355780 /nfs/dbraw/zinc/35/57/80/1428355780.db2.gz GWLSAQLJDNJJIY-QUCCMNQESA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001732090257 1428355784 /nfs/dbraw/zinc/35/57/84/1428355784.db2.gz GWLSAQLJDNJJIY-QUCCMNQESA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001732090257 1428355788 /nfs/dbraw/zinc/35/57/88/1428355788.db2.gz GWLSAQLJDNJJIY-QUCCMNQESA-N 2 1 343.515 3.203 20 0 EGADMP C[N@@H+](CC(=O)N[C@H](C[NH2+]CC1CCC(C)(C)CC1)C1CC1)C1CCC1 ZINC001699579885 1412935785 /nfs/dbraw/zinc/93/57/85/1412935785.db2.gz UHBJPPLEOKWJSY-LJQANCHMSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)C1CCCCCC1 ZINC001699683611 1413078520 /nfs/dbraw/zinc/07/85/20/1413078520.db2.gz OHSXUWJYXLQUEK-UHFFFAOYSA-N 2 1 335.536 3.166 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCn1cc[nH+]c1C)C2 ZINC001699978336 1413422516 /nfs/dbraw/zinc/42/25/16/1413422516.db2.gz ZTSCYCVUWVNLBC-REPLKXPHSA-N 2 1 346.519 3.131 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCn1cc[nH+]c1C)C2 ZINC001699978336 1413422518 /nfs/dbraw/zinc/42/25/18/1413422518.db2.gz ZTSCYCVUWVNLBC-REPLKXPHSA-N 2 1 346.519 3.131 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001700184053 1413601541 /nfs/dbraw/zinc/60/15/41/1413601541.db2.gz IPXGPZMYTNUCSJ-IDPBEMBBSA-N 2 1 337.552 3.290 20 0 EGADMP Cc1cc(C)cc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CCC[NH+](C)C)c1 ZINC001700357471 1413862399 /nfs/dbraw/zinc/86/23/99/1413862399.db2.gz OGKUQDWVPKMQBV-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP C[N@@H+](CCC1CCCC1)C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001700365492 1413888230 /nfs/dbraw/zinc/88/82/30/1413888230.db2.gz POFWKMIXCSZUIG-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP C[C@H](c1ccccc1F)[N@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001700477656 1414108464 /nfs/dbraw/zinc/10/84/64/1414108464.db2.gz SEMKCSSPDXXIQY-JKSUJKDBSA-N 2 1 349.494 3.055 20 0 EGADMP Cc1ccc(C)c(C[N@H+](C)C2CCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001700695686 1414352006 /nfs/dbraw/zinc/35/20/06/1414352006.db2.gz PZTGZBYENQIWDP-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1ccccc1C[N@H+](C)CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001732594871 1428827147 /nfs/dbraw/zinc/82/71/47/1428827147.db2.gz LMQQZHXKDHIZAU-LJQANCHMSA-N 2 1 345.531 3.150 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+](CCCCCF)C2)c1 ZINC001713064337 1417622931 /nfs/dbraw/zinc/62/29/31/1417622931.db2.gz GADWZBRDWCGTFV-LJQANCHMSA-N 2 1 349.494 3.082 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)Cc2ccccc2C)C1 ZINC001713135689 1417716241 /nfs/dbraw/zinc/71/62/41/1417716241.db2.gz OQGRKUSPBDPJJA-LJQANCHMSA-N 2 1 345.531 3.007 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2C)C1 ZINC001713135689 1417716244 /nfs/dbraw/zinc/71/62/44/1417716244.db2.gz OQGRKUSPBDPJJA-LJQANCHMSA-N 2 1 345.531 3.007 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2C)C1 ZINC001713135689 1417716246 /nfs/dbraw/zinc/71/62/46/1417716246.db2.gz OQGRKUSPBDPJJA-LJQANCHMSA-N 2 1 345.531 3.007 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]([C@H](C)c2ccccc2)C1 ZINC001713222126 1417807463 /nfs/dbraw/zinc/80/74/63/1417807463.db2.gz XCELZBSPTWVYMO-RTBURBONSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001713222126 1417807465 /nfs/dbraw/zinc/80/74/65/1417807465.db2.gz XCELZBSPTWVYMO-RTBURBONSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001713222126 1417807470 /nfs/dbraw/zinc/80/74/70/1417807470.db2.gz XCELZBSPTWVYMO-RTBURBONSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001713360955 1417975854 /nfs/dbraw/zinc/97/58/54/1417975854.db2.gz SBLZRZHMBQNUSW-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001713396718 1418013105 /nfs/dbraw/zinc/01/31/05/1418013105.db2.gz CSHGHNCYWPPKLW-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP CC[C@H](C(=O)NCC[N@@H+](CC)[C@@H](C)c1ccc2c(c1)CCC2)[NH+](C)C ZINC001713496322 1418206171 /nfs/dbraw/zinc/20/61/71/1418206171.db2.gz QZRIYYCHHDCEHI-OXJNMPFZSA-N 2 1 345.531 3.015 20 0 EGADMP CC(C)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001713764236 1418575174 /nfs/dbraw/zinc/57/51/74/1418575174.db2.gz VLKHAEDSVMWUIX-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001713764236 1418575176 /nfs/dbraw/zinc/57/51/76/1418575176.db2.gz VLKHAEDSVMWUIX-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001713764236 1418575179 /nfs/dbraw/zinc/57/51/79/1418575179.db2.gz VLKHAEDSVMWUIX-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001713792451 1418611163 /nfs/dbraw/zinc/61/11/63/1418611163.db2.gz UOIAXYPIEQDQAS-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001713793203 1418611614 /nfs/dbraw/zinc/61/16/14/1418611614.db2.gz SCTVRLFVFNJBPM-FQEVSTJZSA-N 2 1 345.531 3.232 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2)C1 ZINC001713793203 1418611616 /nfs/dbraw/zinc/61/16/16/1418611616.db2.gz SCTVRLFVFNJBPM-FQEVSTJZSA-N 2 1 345.531 3.232 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2)C1 ZINC001713793203 1418611621 /nfs/dbraw/zinc/61/16/21/1418611621.db2.gz SCTVRLFVFNJBPM-FQEVSTJZSA-N 2 1 345.531 3.232 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CCCC1CCCC1)CC2 ZINC001713849746 1418645739 /nfs/dbraw/zinc/64/57/39/1418645739.db2.gz KPRAZEHOBKRHGU-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001713890851 1418687008 /nfs/dbraw/zinc/68/70/08/1418687008.db2.gz CEKPSXFPWUMZLH-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001713890851 1418687010 /nfs/dbraw/zinc/68/70/10/1418687010.db2.gz CEKPSXFPWUMZLH-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001713890851 1418687012 /nfs/dbraw/zinc/68/70/12/1418687012.db2.gz CEKPSXFPWUMZLH-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001713913125 1418709288 /nfs/dbraw/zinc/70/92/88/1418709288.db2.gz TWSBMTULCGASRG-ZCNNSNEGSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001713913125 1418709289 /nfs/dbraw/zinc/70/92/89/1418709289.db2.gz TWSBMTULCGASRG-ZCNNSNEGSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001713913125 1418709292 /nfs/dbraw/zinc/70/92/92/1418709292.db2.gz TWSBMTULCGASRG-ZCNNSNEGSA-N 2 1 343.515 3.155 20 0 EGADMP CCc1ccc(C[N@@H+]2CC[C@H](N(CC)C(=O)CC[NH+](C)CC)C2)cc1 ZINC001714049521 1418847611 /nfs/dbraw/zinc/84/76/11/1418847611.db2.gz JKQOVOTWRDVRQA-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccc(C[NH+]2CC[C@H](N(CC)C(=O)CC[N@H+](C)CC)C2)cc1 ZINC001714049521 1418847615 /nfs/dbraw/zinc/84/76/15/1418847615.db2.gz JKQOVOTWRDVRQA-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccc(C[NH+]2CC[C@H](N(CC)C(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001714049521 1418847618 /nfs/dbraw/zinc/84/76/18/1418847618.db2.gz JKQOVOTWRDVRQA-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2C)C1 ZINC001714092497 1418886732 /nfs/dbraw/zinc/88/67/32/1418886732.db2.gz WJFMXSAYGCOYIR-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CC2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCCC2)c1 ZINC001714150741 1418957089 /nfs/dbraw/zinc/95/70/89/1418957089.db2.gz HGCCQAZLBKSDQH-HKUYNNGSSA-N 2 1 343.515 3.026 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001714412264 1419150984 /nfs/dbraw/zinc/15/09/84/1419150984.db2.gz PGPMQNFCVGAYLX-MOPGFXCFSA-N 2 1 337.552 3.316 20 0 EGADMP Cc1cccc(C)c1C[N@@H+](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001714573085 1419307106 /nfs/dbraw/zinc/30/71/06/1419307106.db2.gz HSYRLYZIKPGEJA-UHFFFAOYSA-N 2 1 345.531 3.118 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@H+]2CCCC2CCC2)CCCCC1 ZINC001733219862 1429338844 /nfs/dbraw/zinc/33/88/44/1429338844.db2.gz ABZWSQOTYKLRMH-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](Cc2ccc(C)cc2C)C1 ZINC001715042250 1419781409 /nfs/dbraw/zinc/78/14/09/1419781409.db2.gz BDRJYYXSQAOSMP-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC001715042250 1419781411 /nfs/dbraw/zinc/78/14/11/1419781411.db2.gz BDRJYYXSQAOSMP-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001715042250 1419781413 /nfs/dbraw/zinc/78/14/13/1419781413.db2.gz BDRJYYXSQAOSMP-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1c(C)cc(C)cc1C ZINC001715062739 1419801465 /nfs/dbraw/zinc/80/14/65/1419801465.db2.gz INDUXMMVQWLENS-SFHVURJKSA-N 2 1 345.531 3.081 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H]2CNC(=O)CCC[NH+]2CCCCC2)cs1 ZINC001733238325 1429380309 /nfs/dbraw/zinc/38/03/09/1429380309.db2.gz SPVAWCHLWNCZBL-GOSISDBHSA-N 2 1 349.544 3.013 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H]2CNC(=O)CCC[NH+]2CCCCC2)cs1 ZINC001733238325 1429380315 /nfs/dbraw/zinc/38/03/15/1429380315.db2.gz SPVAWCHLWNCZBL-GOSISDBHSA-N 2 1 349.544 3.013 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC1CC[NH+](CC2CC(C)C2)CC1 ZINC001715203866 1419937383 /nfs/dbraw/zinc/93/73/83/1419937383.db2.gz KNUYPXGBPXSZCX-LYBXBRPPSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCCC1 ZINC001715237994 1419968380 /nfs/dbraw/zinc/96/83/80/1419968380.db2.gz DAGKCMFMKNZLIM-HKUYNNGSSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)c1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001715337741 1420042129 /nfs/dbraw/zinc/04/21/29/1420042129.db2.gz DJKXKQLLLRENNI-XLIONFOSSA-N 2 1 345.531 3.231 20 0 EGADMP CN(CC[N@@H+](C)CC1CCCCCC1)C(=O)CC[NH+]1CCCCC1 ZINC001715539237 1420236564 /nfs/dbraw/zinc/23/65/64/1420236564.db2.gz GZPAMYOZCFCYLS-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C)c(C)c1 ZINC001716074144 1420529203 /nfs/dbraw/zinc/52/92/03/1420529203.db2.gz WEEIVDKIRIBQAW-PMACEKPBSA-N 2 1 345.531 3.020 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001716485002 1420703454 /nfs/dbraw/zinc/70/34/54/1420703454.db2.gz LXYFKYGSRPKWOQ-IEBWSBKVSA-N 2 1 343.515 3.203 20 0 EGADMP C[C@@H](C[N@@H+](C)[C@@H](C)c1ccccc1Cl)NC(=O)CCC[NH+](C)C ZINC001716492791 1420715000 /nfs/dbraw/zinc/71/50/00/1420715000.db2.gz WQONCANOMPEJMK-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCCC2CCC2)CC1 ZINC001716501865 1420729012 /nfs/dbraw/zinc/72/90/12/1420729012.db2.gz JBDQVAUGEHODPQ-KRWDZBQOSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001716703509 1420857117 /nfs/dbraw/zinc/85/71/17/1420857117.db2.gz BAXPPRHNVKCGAT-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001716703509 1420857119 /nfs/dbraw/zinc/85/71/19/1420857119.db2.gz BAXPPRHNVKCGAT-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001716703509 1420857121 /nfs/dbraw/zinc/85/71/21/1420857121.db2.gz BAXPPRHNVKCGAT-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)NCC[N@@H+](CC1CCC1)C1CCCCCC1)[NH+](C)C ZINC001716713436 1420866905 /nfs/dbraw/zinc/86/69/05/1420866905.db2.gz IXKCNZUMOJTNLU-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP C[C@]1(NC(=O)CC[NH+]2CCCCC2)CC[N@@H+](CC2CCCCC2)C1 ZINC001716854693 1420986046 /nfs/dbraw/zinc/98/60/46/1420986046.db2.gz ZVCMCQTXNAGLAD-FQEVSTJZSA-N 2 1 335.536 3.023 20 0 EGADMP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001717203166 1421172185 /nfs/dbraw/zinc/17/21/85/1421172185.db2.gz LRLHEOIKLBBXAT-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001717203166 1421172186 /nfs/dbraw/zinc/17/21/86/1421172186.db2.gz LRLHEOIKLBBXAT-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@H](C)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001717203166 1421172188 /nfs/dbraw/zinc/17/21/88/1421172188.db2.gz LRLHEOIKLBBXAT-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@H](C)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001717203166 1421172191 /nfs/dbraw/zinc/17/21/91/1421172191.db2.gz LRLHEOIKLBBXAT-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001717479149 1421413413 /nfs/dbraw/zinc/41/34/13/1421413413.db2.gz IJZCXKUXIABXRG-ROUUACIJSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)[C@@H](C)c1ccccc1F ZINC001717500821 1421444696 /nfs/dbraw/zinc/44/46/96/1421444696.db2.gz YEWTWQAAXFAJRS-IRXDYDNUSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCC2CCCC2)[C@@H]1C ZINC001717859989 1421672496 /nfs/dbraw/zinc/67/24/96/1421672496.db2.gz HGRYWVBISKFIPO-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)[C@@H]1C ZINC001717859989 1421672497 /nfs/dbraw/zinc/67/24/97/1421672497.db2.gz HGRYWVBISKFIPO-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)[C@@H]1C ZINC001717859989 1421672498 /nfs/dbraw/zinc/67/24/98/1421672498.db2.gz HGRYWVBISKFIPO-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1)C1CCC1 ZINC001717873550 1421681456 /nfs/dbraw/zinc/68/14/56/1421681456.db2.gz RXXAXDQQVUFDIR-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001717886036 1421688289 /nfs/dbraw/zinc/68/82/89/1421688289.db2.gz YMVQCOVGKLMRSZ-OALUTQOASA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC2CCC2)CC1 ZINC001733453262 1429666969 /nfs/dbraw/zinc/66/69/69/1429666969.db2.gz ZGFVHEQIUVQSLP-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001733457681 1429677925 /nfs/dbraw/zinc/67/79/25/1429677925.db2.gz AETSLGPFFGREQL-HXUWFJFHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001733457681 1429677927 /nfs/dbraw/zinc/67/79/27/1429677927.db2.gz AETSLGPFFGREQL-HXUWFJFHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001733457681 1429677928 /nfs/dbraw/zinc/67/79/28/1429677928.db2.gz AETSLGPFFGREQL-HXUWFJFHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCCC2)CC1 ZINC001723531578 1424454284 /nfs/dbraw/zinc/45/42/84/1424454284.db2.gz IHZKIVYSCWBUAO-IBGZPJMESA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC2(C1)CC[NH+](CC(CC)CC)CC2 ZINC001723700137 1424538214 /nfs/dbraw/zinc/53/82/14/1424538214.db2.gz WSMNZTJKKFKDFH-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C(C)C ZINC001723965016 1424613168 /nfs/dbraw/zinc/61/31/68/1424613168.db2.gz XHQVIBBXWSGKJT-IBGZPJMESA-N 2 1 345.531 3.232 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1(C)CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001724022397 1424631678 /nfs/dbraw/zinc/63/16/78/1424631678.db2.gz JRQMQDNHNGASQZ-GOSISDBHSA-N 2 1 345.531 3.369 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001724839072 1425187300 /nfs/dbraw/zinc/18/73/00/1425187300.db2.gz QZAOFWZQWJYSMI-MJGOQNOKSA-N 2 1 343.515 3.203 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001724854772 1425223492 /nfs/dbraw/zinc/22/34/92/1425223492.db2.gz ZNGDEAYRFXNUQZ-AZUAARDMSA-N 2 1 345.531 3.321 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001724854772 1425223494 /nfs/dbraw/zinc/22/34/94/1425223494.db2.gz ZNGDEAYRFXNUQZ-AZUAARDMSA-N 2 1 345.531 3.321 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001724854772 1425223497 /nfs/dbraw/zinc/22/34/97/1425223497.db2.gz ZNGDEAYRFXNUQZ-AZUAARDMSA-N 2 1 345.531 3.321 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCC2CCCCC2)CCCCC1 ZINC001725219137 1425787058 /nfs/dbraw/zinc/78/70/58/1425787058.db2.gz YUSAQWDVJQTJQN-LJQANCHMSA-N 2 1 349.563 3.460 20 0 EGADMP CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC1CCC2(CC2)CC1 ZINC001725444338 1426105971 /nfs/dbraw/zinc/10/59/71/1426105971.db2.gz CMXFKJISDFNDAJ-RTBURBONSA-N 2 1 349.563 3.172 20 0 EGADMP CCCc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001725588942 1426245104 /nfs/dbraw/zinc/24/51/04/1426245104.db2.gz QZDJQGPHMNOSDL-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001731352336 1427291662 /nfs/dbraw/zinc/29/16/62/1427291662.db2.gz MUDFCBLKICWCMY-QGZVFWFLSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC12CC[NH+](CC1CCCCCC1)CC2 ZINC001731385798 1427330147 /nfs/dbraw/zinc/33/01/47/1427330147.db2.gz NVTCPEBKOIEJEV-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001731413671 1427380734 /nfs/dbraw/zinc/38/07/34/1427380734.db2.gz LKWIVPQGGXVUJA-OAHLLOKOSA-N 2 1 337.533 3.004 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001731528169 1427517016 /nfs/dbraw/zinc/51/70/16/1427517016.db2.gz XTSYHPVHHINVBT-LJQANCHMSA-N 2 1 337.552 3.127 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001731558745 1427590278 /nfs/dbraw/zinc/59/02/78/1427590278.db2.gz LSCCRCGBJQJUQP-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2c(C)cccc2C)C1 ZINC001731719543 1427787675 /nfs/dbraw/zinc/78/76/75/1427787675.db2.gz IUVMOGIJXWQBFH-LJQANCHMSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2c(C)cccc2C)C1 ZINC001731719543 1427787685 /nfs/dbraw/zinc/78/76/85/1427787685.db2.gz IUVMOGIJXWQBFH-LJQANCHMSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2c(C)cccc2C)C1 ZINC001731719543 1427787690 /nfs/dbraw/zinc/78/76/90/1427787690.db2.gz IUVMOGIJXWQBFH-LJQANCHMSA-N 2 1 345.531 3.068 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001731720672 1427789248 /nfs/dbraw/zinc/78/92/48/1427789248.db2.gz OPEXWJBEQSXYEJ-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001731720672 1427789270 /nfs/dbraw/zinc/78/92/70/1427789270.db2.gz OPEXWJBEQSXYEJ-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001731720672 1427789274 /nfs/dbraw/zinc/78/92/74/1427789274.db2.gz OPEXWJBEQSXYEJ-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001731832960 1428044830 /nfs/dbraw/zinc/04/48/30/1428044830.db2.gz DYFPFYSCFPTXPL-HKUYNNGSSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001731832960 1428044833 /nfs/dbraw/zinc/04/48/33/1428044833.db2.gz DYFPFYSCFPTXPL-HKUYNNGSSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001731832960 1428044837 /nfs/dbraw/zinc/04/48/37/1428044837.db2.gz DYFPFYSCFPTXPL-HKUYNNGSSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001731842095 1428064068 /nfs/dbraw/zinc/06/40/68/1428064068.db2.gz NYDLVHZEXIRAOS-ICSRJNTNSA-N 2 1 343.515 3.204 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@@H](C)c1ccc(F)cc1 ZINC001731867840 1428118028 /nfs/dbraw/zinc/11/80/28/1428118028.db2.gz XXDUAVBCGBHFLO-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[C@@H](C)c1ccc(F)cc1 ZINC001731867840 1428118029 /nfs/dbraw/zinc/11/80/29/1428118029.db2.gz XXDUAVBCGBHFLO-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)[C@@H](C)c1ccc(F)cc1 ZINC001731867840 1428118031 /nfs/dbraw/zinc/11/80/31/1428118031.db2.gz XXDUAVBCGBHFLO-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC001731988023 1428198363 /nfs/dbraw/zinc/19/83/63/1428198363.db2.gz RIIKPEFZCWQTNE-PXNSSMCTSA-N 2 1 339.483 3.099 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccc1 ZINC001734024957 1437812915 /nfs/dbraw/zinc/81/29/15/1437812915.db2.gz DKGPLDCVJGVEMM-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@H](C)c2ccccc2F)C1 ZINC001734128682 1437906458 /nfs/dbraw/zinc/90/64/58/1437906458.db2.gz NTZRKKPEWMUMAH-HZPDHXFCSA-N 2 1 349.494 3.055 20 0 EGADMP CCc1ccc(C[N@@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C(C)C)cc1 ZINC001751974275 1440129775 /nfs/dbraw/zinc/12/97/75/1440129775.db2.gz DLDIPDFZDAZSTI-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001751974275 1440129776 /nfs/dbraw/zinc/12/97/76/1440129776.db2.gz DLDIPDFZDAZSTI-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001751974275 1440129778 /nfs/dbraw/zinc/12/97/78/1440129778.db2.gz DLDIPDFZDAZSTI-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001752120812 1440142581 /nfs/dbraw/zinc/14/25/81/1440142581.db2.gz CIZHSLBHDHAKCW-SFHVURJKSA-N 2 1 331.504 3.062 20 0 EGADMP CCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001752158334 1440148034 /nfs/dbraw/zinc/14/80/34/1440148034.db2.gz MWTOCZZHOAAATD-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)c1 ZINC001752159061 1440148222 /nfs/dbraw/zinc/14/82/22/1440148222.db2.gz YSIFVNHLRRUYJT-QUCCMNQESA-N 2 1 345.531 3.194 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CC1CCC1 ZINC001752205378 1440154029 /nfs/dbraw/zinc/15/40/29/1440154029.db2.gz FAJDZDBBMBMAOP-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)CC1CCC1 ZINC001752205378 1440154030 /nfs/dbraw/zinc/15/40/30/1440154030.db2.gz FAJDZDBBMBMAOP-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)CC1CCC1 ZINC001752205378 1440154031 /nfs/dbraw/zinc/15/40/31/1440154031.db2.gz FAJDZDBBMBMAOP-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001752428474 1440177771 /nfs/dbraw/zinc/17/77/71/1440177771.db2.gz ZPAIXHZSOKKENH-DLBZAZTESA-N 2 1 346.519 3.167 20 0 EGADMP CC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001752432594 1440178911 /nfs/dbraw/zinc/17/89/11/1440178911.db2.gz VPYKARVFVJXJLI-WLMAVBAVSA-N 2 1 347.547 3.188 20 0 EGADMP CCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001752705747 1440202340 /nfs/dbraw/zinc/20/23/40/1440202340.db2.gz BIKWGFOCJBLNIS-RBUKOAKNSA-N 2 1 346.519 3.085 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001752705747 1440202341 /nfs/dbraw/zinc/20/23/41/1440202341.db2.gz BIKWGFOCJBLNIS-RBUKOAKNSA-N 2 1 346.519 3.085 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001752709187 1440203218 /nfs/dbraw/zinc/20/32/18/1440203218.db2.gz ZRMAEFOFCZCRDG-SBUVDCAVSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)(C(=O)NC[C@H]1CCC[N@@H+](CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001752784584 1440210753 /nfs/dbraw/zinc/21/07/53/1440210753.db2.gz FPCSMVHYXGBJSS-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001752804846 1440215572 /nfs/dbraw/zinc/21/55/72/1440215572.db2.gz UAQICZWVGNKOCM-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001752820451 1440220273 /nfs/dbraw/zinc/22/02/73/1440220273.db2.gz MSKVGSUMZGSYTE-GRMGMVGISA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001752820451 1440220274 /nfs/dbraw/zinc/22/02/74/1440220274.db2.gz MSKVGSUMZGSYTE-GRMGMVGISA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001752820451 1440220275 /nfs/dbraw/zinc/22/02/75/1440220275.db2.gz MSKVGSUMZGSYTE-GRMGMVGISA-N 2 1 349.563 3.434 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCCCC1 ZINC001752822645 1440221568 /nfs/dbraw/zinc/22/15/68/1440221568.db2.gz LOJOSYPIRKDIBK-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC)c1ccccc1 ZINC001752831053 1440225359 /nfs/dbraw/zinc/22/53/59/1440225359.db2.gz YXJZOQXQIWDMIU-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001752832531 1440226113 /nfs/dbraw/zinc/22/61/13/1440226113.db2.gz XSGIEBCJCRMPKD-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001752836069 1440227822 /nfs/dbraw/zinc/22/78/22/1440227822.db2.gz KOFFSSXPALIUIP-AEFFLSMTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H](NC(=O)C[NH+](C)C1CCC1)[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001752836069 1440227823 /nfs/dbraw/zinc/22/78/23/1440227823.db2.gz KOFFSSXPALIUIP-AEFFLSMTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H](NC(=O)C[NH+](C)C1CCC1)[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001752836069 1440227824 /nfs/dbraw/zinc/22/78/24/1440227824.db2.gz KOFFSSXPALIUIP-AEFFLSMTSA-N 2 1 349.563 3.124 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001752837327 1440228623 /nfs/dbraw/zinc/22/86/23/1440228623.db2.gz SCQYAQYRMGCYII-YMHTTXFNSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001752841458 1440230741 /nfs/dbraw/zinc/23/07/41/1440230741.db2.gz QUMARCUQSRWMMR-ZWKOTPCHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001752841458 1440230742 /nfs/dbraw/zinc/23/07/42/1440230742.db2.gz QUMARCUQSRWMMR-ZWKOTPCHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001752841458 1440230743 /nfs/dbraw/zinc/23/07/43/1440230743.db2.gz QUMARCUQSRWMMR-ZWKOTPCHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001752842396 1440231323 /nfs/dbraw/zinc/23/13/23/1440231323.db2.gz ZGDYEWKODXCFBZ-WLMAVBAVSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001752850566 1440233535 /nfs/dbraw/zinc/23/35/35/1440233535.db2.gz VAEYQLGCSDIRSB-DVXKEZEUSA-N 2 1 349.563 3.480 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001752851100 1440233537 /nfs/dbraw/zinc/23/35/37/1440233537.db2.gz ZUKACJZIHVWNOJ-MHJFOBGBSA-N 2 1 349.563 3.458 20 0 EGADMP CCCC[NH2+]C1CCC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001752853389 1440234160 /nfs/dbraw/zinc/23/41/60/1440234160.db2.gz HUROISMMDJCSHF-RJYAGPCLSA-N 2 1 341.515 3.016 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]CCC2CCCCC2)C1 ZINC001752894557 1440241569 /nfs/dbraw/zinc/24/15/69/1440241569.db2.gz JLGIWIWDZFQEIL-PKOBYXMFSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1C1CC1 ZINC001752899635 1440242590 /nfs/dbraw/zinc/24/25/90/1440242590.db2.gz DGRMRLRWABPVMM-INIZCTEOSA-N 2 1 345.531 3.136 20 0 EGADMP CC(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001753120841 1440313672 /nfs/dbraw/zinc/31/36/72/1440313672.db2.gz ZUTRPAFUESBEOY-WOJBJXKFSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001753120841 1440313673 /nfs/dbraw/zinc/31/36/73/1440313673.db2.gz ZUTRPAFUESBEOY-WOJBJXKFSA-N 2 1 345.531 3.306 20 0 EGADMP CN(CC[NH2+]Cc1ccsc1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001753223077 1440340182 /nfs/dbraw/zinc/34/01/82/1440340182.db2.gz XAJIHRSZWCXVGZ-GOSISDBHSA-N 2 1 349.544 3.093 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC)c1ccc(C(C)C)cc1 ZINC001753294502 1440351670 /nfs/dbraw/zinc/35/16/70/1440351670.db2.gz OARQMIZYECLNOM-VQTJNVASSA-N 2 1 345.531 3.451 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C(C)C)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001753320052 1440362776 /nfs/dbraw/zinc/36/27/76/1440362776.db2.gz SHXMCBMHGQSGCU-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C(C)C)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001753320052 1440362777 /nfs/dbraw/zinc/36/27/77/1440362777.db2.gz SHXMCBMHGQSGCU-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001753349969 1440377535 /nfs/dbraw/zinc/37/75/35/1440377535.db2.gz ZTULUPNJVKZICM-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001753349969 1440377536 /nfs/dbraw/zinc/37/75/36/1440377536.db2.gz ZTULUPNJVKZICM-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001753349969 1440377537 /nfs/dbraw/zinc/37/75/37/1440377537.db2.gz ZTULUPNJVKZICM-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(C[N@H+](C)CC(C)C)CC1 ZINC001753363734 1440384025 /nfs/dbraw/zinc/38/40/25/1440384025.db2.gz CBQCNJFCBMVKNK-QGZVFWFLSA-N 2 1 348.535 3.223 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(C[N@@H+](C)CC(C)C)CC1 ZINC001753363734 1440384026 /nfs/dbraw/zinc/38/40/26/1440384026.db2.gz CBQCNJFCBMVKNK-QGZVFWFLSA-N 2 1 348.535 3.223 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001753448206 1440405096 /nfs/dbraw/zinc/40/50/96/1440405096.db2.gz PBDRLVIQDDQLCV-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001753448206 1440405097 /nfs/dbraw/zinc/40/50/97/1440405097.db2.gz PBDRLVIQDDQLCV-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001753448206 1440405098 /nfs/dbraw/zinc/40/50/98/1440405098.db2.gz PBDRLVIQDDQLCV-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001753478485 1440415740 /nfs/dbraw/zinc/41/57/40/1440415740.db2.gz KQNFOIDAXKRIQB-QZTJIDSGSA-N 2 1 337.552 3.172 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC001753514153 1440426923 /nfs/dbraw/zinc/42/69/23/1440426923.db2.gz CLWZJJSZABJQNU-RXVVDRJESA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)[NH+]1CCC(CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001753597974 1440445451 /nfs/dbraw/zinc/44/54/51/1440445451.db2.gz ZTEAYPWIHYUMCB-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](C)C[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCCC1 ZINC001753668448 1440461046 /nfs/dbraw/zinc/46/10/46/1440461046.db2.gz GZWAQBVDJAYKIH-MRXNPFEDSA-N 2 1 325.541 3.029 20 0 EGADMP CC[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001753701840 1440468690 /nfs/dbraw/zinc/46/86/90/1440468690.db2.gz SGJUYEKMVGKJIF-JKSUJKDBSA-N 2 1 325.541 3.122 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC2CCCC2)C1 ZINC001753709322 1440470094 /nfs/dbraw/zinc/47/00/94/1440470094.db2.gz WEAQHCQRPGGPAC-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCC2CCCC2)C1 ZINC001753709321 1440470104 /nfs/dbraw/zinc/47/01/04/1440470104.db2.gz WEAQHCQRPGGPAC-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CCCCC1 ZINC001753745715 1440480990 /nfs/dbraw/zinc/48/09/90/1440480990.db2.gz IMKAWSACNPROOH-OALUTQOASA-N 2 1 337.552 3.314 20 0 EGADMP CCCCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001753785471 1440488103 /nfs/dbraw/zinc/48/81/03/1440488103.db2.gz UKILNNIYPULFJC-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP CC(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001753800096 1440490704 /nfs/dbraw/zinc/49/07/04/1440490704.db2.gz VHJJXFSJPYYSEC-ROUUACIJSA-N 2 1 348.535 3.269 20 0 EGADMP C[N@@H+](CCC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1)CC1CC1 ZINC001753823288 1440496967 /nfs/dbraw/zinc/49/69/67/1440496967.db2.gz CJLGOUXROFBJSJ-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP Cc1ccccc1C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001753830350 1440499523 /nfs/dbraw/zinc/49/95/23/1440499523.db2.gz VCERZFVZPZGYKL-PMACEKPBSA-N 2 1 345.531 3.098 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C(C)C ZINC001753836040 1440501037 /nfs/dbraw/zinc/50/10/37/1440501037.db2.gz WOBUVFVDQBJYFE-ROUUACIJSA-N 2 1 339.568 3.273 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]([NH2+]Cc2ccccc2)C(C)C)C1 ZINC001753837747 1440501670 /nfs/dbraw/zinc/50/16/70/1440501670.db2.gz OSHFTDYEAANFIG-PMACEKPBSA-N 2 1 345.531 3.039 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1=CCCCC1 ZINC001754007381 1440530997 /nfs/dbraw/zinc/53/09/97/1440530997.db2.gz LQPWRQILPBFXRW-MJGOQNOKSA-N 2 1 335.536 3.234 20 0 EGADMP CC[C@@H]([NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001754071278 1440538116 /nfs/dbraw/zinc/53/81/16/1440538116.db2.gz JMXXNTFJZAXUFH-YSIASYRMSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H](C[NH2+]CC1CCCCC1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001754228432 1440553727 /nfs/dbraw/zinc/55/37/27/1440553727.db2.gz HVAFXWLMEXKUOE-VQIMIIECSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001754347319 1440590021 /nfs/dbraw/zinc/59/00/21/1440590021.db2.gz XMIPLIPNANKPKG-AEFFLSMTSA-N 2 1 337.552 3.312 20 0 EGADMP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)cs1 ZINC001754379832 1440593257 /nfs/dbraw/zinc/59/32/57/1440593257.db2.gz GWZUZAVTNYLSKD-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CCC1CCCC1 ZINC001754401037 1440595230 /nfs/dbraw/zinc/59/52/30/1440595230.db2.gz OKKLICJYFDPROV-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCC[NH2+]CCC1=CCCCC1 ZINC001754416938 1440596955 /nfs/dbraw/zinc/59/69/55/1440596955.db2.gz WKVRLDCUTOHPHN-HDICACEKSA-N 2 1 335.536 3.188 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C2CC2)c1 ZINC001754443450 1440599510 /nfs/dbraw/zinc/59/95/10/1440599510.db2.gz XYEFGQVIVLAZHC-OXJNMPFZSA-N 2 1 343.515 3.025 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)[C@H](CC)C1 ZINC001754466134 1440604307 /nfs/dbraw/zinc/60/43/07/1440604307.db2.gz AZWAMCDAHQADBP-WOJBJXKFSA-N 2 1 349.563 3.435 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1)[NH+](CC)CC ZINC001754567985 1440636259 /nfs/dbraw/zinc/63/62/59/1440636259.db2.gz YBRPYSXMZGUXDM-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001754598646 1440642016 /nfs/dbraw/zinc/64/20/16/1440642016.db2.gz KHWPRCSPSXDLEG-IAGOWNOFSA-N 2 1 339.568 3.370 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCC2CCCCC2)CC[N@H+]1C ZINC001754615793 1440644476 /nfs/dbraw/zinc/64/44/76/1440644476.db2.gz CEHQSWFCLVRSBV-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C[NH2+]CC1CCCCC1)C1CCCC1 ZINC001754655576 1440653406 /nfs/dbraw/zinc/65/34/06/1440653406.db2.gz CZCOVUHEKKKFJO-IBGZPJMESA-N 2 1 346.519 3.036 20 0 EGADMP CCCCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001754670255 1440657940 /nfs/dbraw/zinc/65/79/40/1440657940.db2.gz MFQOWIMDSFBDCZ-NQIIRXRSSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001754670255 1440657941 /nfs/dbraw/zinc/65/79/41/1440657941.db2.gz MFQOWIMDSFBDCZ-NQIIRXRSSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001754670255 1440657942 /nfs/dbraw/zinc/65/79/42/1440657942.db2.gz MFQOWIMDSFBDCZ-NQIIRXRSSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@@H+](CC(=O)N[C@]1(C)CC[NH+](CCC2=CCCCC2)C1)CC(C)(C)C ZINC001754679962 1440661776 /nfs/dbraw/zinc/66/17/76/1440661776.db2.gz DKXPGYYVGOCCHH-OAQYLSRUSA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+](CC(=O)N[C@]1(C)CC[N@H+](CCC2=CCCCC2)C1)CC(C)(C)C ZINC001754679962 1440661777 /nfs/dbraw/zinc/66/17/77/1440661777.db2.gz DKXPGYYVGOCCHH-OAQYLSRUSA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+](CC(=O)N[C@]1(C)CC[N@@H+](CCC2=CCCCC2)C1)CC(C)(C)C ZINC001754679962 1440661778 /nfs/dbraw/zinc/66/17/78/1440661778.db2.gz DKXPGYYVGOCCHH-OAQYLSRUSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001754919113 1440709046 /nfs/dbraw/zinc/70/90/46/1440709046.db2.gz MHUSJRGKMDNEQZ-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2([NH2+]CC3=CCCCC3)CCC2)C1 ZINC001754985084 1440722453 /nfs/dbraw/zinc/72/24/53/1440722453.db2.gz HTGQYFZOPCBLQS-IBGZPJMESA-N 2 1 347.547 3.237 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1([NH2+]CC2CCCCC2)CCC1 ZINC001754992564 1440724875 /nfs/dbraw/zinc/72/48/75/1440724875.db2.gz IPEJLDQKTLHATP-CALCHBBNSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001755029376 1440730609 /nfs/dbraw/zinc/73/06/09/1440730609.db2.gz WHBDSWMSOILBMG-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001755030334 1440731234 /nfs/dbraw/zinc/73/12/34/1440731234.db2.gz XZNPWCWQHSFAEU-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001755030334 1440731235 /nfs/dbraw/zinc/73/12/35/1440731235.db2.gz XZNPWCWQHSFAEU-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001755030334 1440731236 /nfs/dbraw/zinc/73/12/36/1440731236.db2.gz XZNPWCWQHSFAEU-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCC)CC1 ZINC001755047876 1440742233 /nfs/dbraw/zinc/74/22/33/1440742233.db2.gz SEZQTALCICUBJO-YSIASYRMSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCC)CC1 ZINC001755047876 1440742234 /nfs/dbraw/zinc/74/22/34/1440742234.db2.gz SEZQTALCICUBJO-YSIASYRMSA-N 2 1 349.563 3.362 20 0 EGADMP CCC1([NH2+]CC2CCC2)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001755070176 1440746280 /nfs/dbraw/zinc/74/62/80/1440746280.db2.gz VZEOXDPOJQKIIJ-RTBURBONSA-N 2 1 347.547 3.164 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(CC)([NH2+]CC2=CCCCC2)CC1 ZINC001755073147 1440747361 /nfs/dbraw/zinc/74/73/61/1440747361.db2.gz IDLHCYWHQWJADW-UHFFFAOYSA-N 2 1 335.536 3.189 20 0 EGADMP CCCCC[N@H+]1Cc2ccc(CNC(=O)C3([NH+](C)C)CCC3)cc2C1 ZINC001755102542 1440753299 /nfs/dbraw/zinc/75/32/99/1440753299.db2.gz XQGUDNKMMXJPLF-UHFFFAOYSA-N 2 1 343.515 3.293 20 0 EGADMP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCC(C)(C)C ZINC001755195325 1440776641 /nfs/dbraw/zinc/77/66/41/1440776641.db2.gz NLZZIGPTKAYDGD-SJORKVTESA-N 2 1 343.531 3.025 20 0 EGADMP CN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C1CCC([NH2+]CC2CC2)CC1 ZINC001755278760 1440800086 /nfs/dbraw/zinc/80/00/86/1440800086.db2.gz PRGWYNOLQHJPKF-MHJFOBGBSA-N 2 1 343.515 3.059 20 0 EGADMP CN(CC(C)(C)C[NH2+]CC1CC2(CCC2)C1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001755281190 1440800680 /nfs/dbraw/zinc/80/06/80/1440800680.db2.gz BDIGYHYZBCWASD-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001755300681 1440808346 /nfs/dbraw/zinc/80/83/46/1440808346.db2.gz VWLMPHMDRBWOBZ-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755300681 1440808347 /nfs/dbraw/zinc/80/83/47/1440808347.db2.gz VWLMPHMDRBWOBZ-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755300681 1440808348 /nfs/dbraw/zinc/80/83/48/1440808348.db2.gz VWLMPHMDRBWOBZ-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@@H+](C)CC1CC(C)(C)C1 ZINC001755327012 1440822382 /nfs/dbraw/zinc/82/23/82/1440822382.db2.gz CTDYYEFHIJJCAQ-MRXNPFEDSA-N 2 1 345.531 3.235 20 0 EGADMP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[N@@H+](C)CC1=CCCCC1 ZINC001755327505 1440822503 /nfs/dbraw/zinc/82/25/03/1440822503.db2.gz IRSNUIMPCJYIEF-GOSISDBHSA-N 2 1 335.536 3.189 20 0 EGADMP CCCC[C@@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001755358122 1440830484 /nfs/dbraw/zinc/83/04/84/1440830484.db2.gz LRJLIZZLNWWRAT-NZSAHSFTSA-N 2 1 337.552 3.172 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCCC1)C1CCC1 ZINC001755363200 1440832780 /nfs/dbraw/zinc/83/27/80/1440832780.db2.gz DLFKHZASCCCXBX-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCCCC1)C1CCC1 ZINC001755363200 1440832781 /nfs/dbraw/zinc/83/27/81/1440832781.db2.gz DLFKHZASCCCXBX-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCCCC1)C1CCC1 ZINC001755363200 1440832782 /nfs/dbraw/zinc/83/27/82/1440832782.db2.gz DLFKHZASCCCXBX-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001755379973 1440839230 /nfs/dbraw/zinc/83/92/30/1440839230.db2.gz WRHCVDPLXHAJLY-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001755414279 1440847838 /nfs/dbraw/zinc/84/78/38/1440847838.db2.gz SXARHOCTCBNWLI-QAZIKRLUSA-N 2 1 337.552 3.146 20 0 EGADMP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@@H]2C1 ZINC001755453591 1440854523 /nfs/dbraw/zinc/85/45/23/1440854523.db2.gz QOAPFQXWGSFSOD-SLFFLAALSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](CC=C(C)C)C[C@]2(C)C1)[NH+](CC)CC ZINC001755460095 1440856962 /nfs/dbraw/zinc/85/69/62/1440856962.db2.gz BTXHJGYLTRDQQJ-SESVDKBCSA-N 2 1 349.563 3.243 20 0 EGADMP C[NH+](C)CCCC(=O)N1C[C@]2(C)C[N@@H+](CC3CCCCC3)C[C@]2(C)C1 ZINC001755461691 1440857539 /nfs/dbraw/zinc/85/75/39/1440857539.db2.gz DDIYNIWIAGVNAJ-OYRHEFFESA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001755475613 1440859382 /nfs/dbraw/zinc/85/93/82/1440859382.db2.gz GHWXALLVIKGVRF-IYARVYRRSA-N 2 1 335.536 3.092 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H](C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001755566915 1440876035 /nfs/dbraw/zinc/87/60/35/1440876035.db2.gz DFUGDLWGHHZHGI-PXNSSMCTSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]CCCC(C)(C)C)C[C@H]1C ZINC001755686536 1440896032 /nfs/dbraw/zinc/89/60/32/1440896032.db2.gz MQJPULJCCBMGMM-IAGOWNOFSA-N 2 1 348.535 3.412 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CCCC(C)C)CC3)CC[N@H+]1C ZINC001755702273 1440900808 /nfs/dbraw/zinc/90/08/08/1440900808.db2.gz PAWSZPLBOYZCMU-YOUFYPILSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCCC(C)C)CC3)CC[NH+]1C ZINC001755702273 1440900809 /nfs/dbraw/zinc/90/08/09/1440900809.db2.gz PAWSZPLBOYZCMU-YOUFYPILSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCCC(C)C)CC3)CC[NH+]1C ZINC001755702273 1440900810 /nfs/dbraw/zinc/90/08/10/1440900810.db2.gz PAWSZPLBOYZCMU-YOUFYPILSA-N 2 1 349.563 3.266 20 0 EGADMP CCc1ccccc1C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H]1C ZINC001755722766 1440908109 /nfs/dbraw/zinc/90/81/09/1440908109.db2.gz SYOZJAUVZCMMDF-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001755722766 1440908110 /nfs/dbraw/zinc/90/81/10/1440908110.db2.gz SYOZJAUVZCMMDF-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001755722766 1440908111 /nfs/dbraw/zinc/90/81/11/1440908111.db2.gz SYOZJAUVZCMMDF-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1(C)C ZINC001755775808 1440917227 /nfs/dbraw/zinc/91/72/27/1440917227.db2.gz RDECSPSLZPKUGS-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)N(CC[N@@H+](C)C(C)C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001755810947 1440920408 /nfs/dbraw/zinc/92/04/08/1440920408.db2.gz RBXVXHKJKPXUAD-GOSISDBHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)N(CC[NH+](C)C(C)C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755810947 1440920409 /nfs/dbraw/zinc/92/04/09/1440920409.db2.gz RBXVXHKJKPXUAD-GOSISDBHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)N(CC[NH+](C)C(C)C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755810947 1440920410 /nfs/dbraw/zinc/92/04/10/1440920410.db2.gz RBXVXHKJKPXUAD-GOSISDBHSA-N 2 1 337.552 3.218 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001755890191 1440941052 /nfs/dbraw/zinc/94/10/52/1440941052.db2.gz BPAXYOYEAVRSEC-SFHVURJKSA-N 2 1 349.563 3.435 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001755890191 1440941053 /nfs/dbraw/zinc/94/10/53/1440941053.db2.gz BPAXYOYEAVRSEC-SFHVURJKSA-N 2 1 349.563 3.435 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001755890191 1440941054 /nfs/dbraw/zinc/94/10/54/1440941054.db2.gz BPAXYOYEAVRSEC-SFHVURJKSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCC[N@@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001755890419 1440941363 /nfs/dbraw/zinc/94/13/63/1440941363.db2.gz GXYCOGWKXKIQPJ-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP C[NH+]1CCC(CC(=O)NCC2=CC[N@@H+](CCCC(C)(C)C)CC2)CC1 ZINC001755894356 1440942345 /nfs/dbraw/zinc/94/23/45/1440942345.db2.gz QKWKVVOUDYVIBR-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP CC(C)Oc1cc[nH+]c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164722931 720393929 /nfs/dbraw/zinc/39/39/29/720393929.db2.gz DUQPEDVYTXJGFF-MOPGFXCFSA-N 2 1 338.455 3.117 20 0 EGADMP CC(C)Oc1cc[nH+]c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164722931 720393938 /nfs/dbraw/zinc/39/39/38/720393938.db2.gz DUQPEDVYTXJGFF-MOPGFXCFSA-N 2 1 338.455 3.117 20 0 EGADMP Cc1cc(C)[nH+]c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164899998 721511970 /nfs/dbraw/zinc/51/19/70/721511970.db2.gz MYEBUSVQRCWNMA-MJGOQNOKSA-N 2 1 341.430 3.179 20 0 EGADMP Cc1cc(C)[nH+]c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164899998 721511973 /nfs/dbraw/zinc/51/19/73/721511973.db2.gz MYEBUSVQRCWNMA-MJGOQNOKSA-N 2 1 341.430 3.179 20 0 EGADMP c1cc2c[nH+]c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)cc2[nH]1 ZINC001164953279 722013799 /nfs/dbraw/zinc/01/37/99/722013799.db2.gz DHHSKAQTRCLOFR-UHFFFAOYSA-N 2 1 347.466 3.450 20 0 EGADMP CCCCCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825272116 947140715 /nfs/dbraw/zinc/14/07/15/947140715.db2.gz VGQVXUBDRANTMA-UHFFFAOYSA-N 2 1 342.491 3.001 20 0 EGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000368131455 168314549 /nfs/dbraw/zinc/31/45/49/168314549.db2.gz AGNFZDFMUVELMJ-INIZCTEOSA-N 2 1 328.460 3.142 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000368531041 168369212 /nfs/dbraw/zinc/36/92/12/168369212.db2.gz SDYKAFBJIQXQGT-HLAWJBBLSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000368531041 168369214 /nfs/dbraw/zinc/36/92/14/168369214.db2.gz SDYKAFBJIQXQGT-HLAWJBBLSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000368531041 168369216 /nfs/dbraw/zinc/36/92/16/168369216.db2.gz SDYKAFBJIQXQGT-HLAWJBBLSA-N 3 1 329.532 3.219 20 0 EGADMP CC[C@H](C)CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000368991736 168388689 /nfs/dbraw/zinc/38/86/89/168388689.db2.gz UWJDYFPHBMWGIZ-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP CN(C)c1cc[nH+]cc1CNC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000221823467 282308652 /nfs/dbraw/zinc/30/86/52/282308652.db2.gz MEZWMNWDJYIFIK-BEFAXECRSA-N 2 1 344.528 3.382 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@H]21 ZINC000367625241 283135054 /nfs/dbraw/zinc/13/50/54/283135054.db2.gz XLHCVMUNXABDJB-FGTMMUONSA-N 2 1 349.519 3.016 20 0 EGADMP C[NH2+]CCC1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000070189038 202317676 /nfs/dbraw/zinc/31/76/76/202317676.db2.gz GEVDWTLNAJMCDY-UHFFFAOYSA-N 2 1 329.257 3.410 20 0 EGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000186574108 201040290 /nfs/dbraw/zinc/04/02/90/201040290.db2.gz DYLLAMQNOFIDDX-NJYVYQBISA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186574108 201040292 /nfs/dbraw/zinc/04/02/92/201040292.db2.gz DYLLAMQNOFIDDX-NJYVYQBISA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000186574108 201040295 /nfs/dbraw/zinc/04/02/95/201040295.db2.gz DYLLAMQNOFIDDX-NJYVYQBISA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186574108 201040297 /nfs/dbraw/zinc/04/02/97/201040297.db2.gz DYLLAMQNOFIDDX-NJYVYQBISA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000186574108 201040299 /nfs/dbraw/zinc/04/02/99/201040299.db2.gz DYLLAMQNOFIDDX-NJYVYQBISA-N 2 1 329.532 3.359 20 0 EGADMP COc1ccc(Br)cc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231460916 201046913 /nfs/dbraw/zinc/04/69/13/201046913.db2.gz VTLIDBOVWJICFR-CQSZACIVSA-N 2 1 327.266 3.032 20 0 EGADMP COc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231460916 201046915 /nfs/dbraw/zinc/04/69/15/201046915.db2.gz VTLIDBOVWJICFR-CQSZACIVSA-N 2 1 327.266 3.032 20 0 EGADMP COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000261772283 291271623 /nfs/dbraw/zinc/27/16/23/291271623.db2.gz DVGSXEILVBRZGJ-OAHLLOKOSA-N 2 1 345.270 3.139 20 0 EGADMP COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000261772283 291271626 /nfs/dbraw/zinc/27/16/26/291271626.db2.gz DVGSXEILVBRZGJ-OAHLLOKOSA-N 2 1 345.270 3.139 20 0 EGADMP [NH3+]CCCCCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000237988901 201151442 /nfs/dbraw/zinc/15/14/42/201151442.db2.gz YEIMAGGDMCGXKD-LJQANCHMSA-N 2 1 331.504 3.067 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCO[C@@H]1CCCCO1 ZINC000193120016 240030568 /nfs/dbraw/zinc/03/05/68/240030568.db2.gz QQYLAYSEEXOHSW-XSONFBQWSA-N 2 1 346.515 3.276 20 0 EGADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193155320 240042518 /nfs/dbraw/zinc/04/25/18/240042518.db2.gz OMMYUGHCQOYLFZ-HOTGVXAUSA-N 2 1 328.909 3.259 20 0 EGADMP COc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1Br ZINC000231464075 242267292 /nfs/dbraw/zinc/26/72/92/242267292.db2.gz VHXJWPXHKMFRNL-ZDUSSCGKSA-N 2 1 327.266 3.032 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000236727409 242337082 /nfs/dbraw/zinc/33/70/82/242337082.db2.gz SCQSNBUVYKBVLA-RTBURBONSA-N 2 1 331.504 3.052 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000236830101 242374390 /nfs/dbraw/zinc/37/43/90/242374390.db2.gz HTDNBZOLJMNYLC-QGZVFWFLSA-N 2 1 326.444 3.135 20 0 EGADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000363391321 284054961 /nfs/dbraw/zinc/05/49/61/284054961.db2.gz QOAXWIJMSFBAFE-LJQANCHMSA-N 2 1 341.499 3.029 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000072858548 203249041 /nfs/dbraw/zinc/24/90/41/203249041.db2.gz YWLNPVHBDWYTGS-CQSZACIVSA-N 2 1 348.878 3.206 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000072858548 203249045 /nfs/dbraw/zinc/24/90/45/203249045.db2.gz YWLNPVHBDWYTGS-CQSZACIVSA-N 2 1 348.878 3.206 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000072858548 203249046 /nfs/dbraw/zinc/24/90/46/203249046.db2.gz YWLNPVHBDWYTGS-CQSZACIVSA-N 2 1 348.878 3.206 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000072858548 203249051 /nfs/dbraw/zinc/24/90/51/203249051.db2.gz YWLNPVHBDWYTGS-CQSZACIVSA-N 2 1 348.878 3.206 20 0 EGADMP CCC[C@](C)([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262680021 245115855 /nfs/dbraw/zinc/11/58/55/245115855.db2.gz WHIHPTXPCJCGKT-KPFFTGBYSA-N 2 1 331.504 3.015 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1)C(C)C ZINC000262651297 245098181 /nfs/dbraw/zinc/09/81/81/245098181.db2.gz XPOYUQLWDUUAIR-OALUTQOASA-N 2 1 331.504 3.164 20 0 EGADMP COc1ccc(CN(C)C[C@H]2CCC[N@@H+](C)C2)cc1OC(F)F ZINC000104098821 204096739 /nfs/dbraw/zinc/09/67/39/204096739.db2.gz NMYPUXFVCKQMGD-AWEZNQCLSA-N 2 1 328.403 3.070 20 0 EGADMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC(F)F ZINC000104098821 204096742 /nfs/dbraw/zinc/09/67/42/204096742.db2.gz NMYPUXFVCKQMGD-AWEZNQCLSA-N 2 1 328.403 3.070 20 0 EGADMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC(F)F ZINC000104098821 204096744 /nfs/dbraw/zinc/09/67/44/204096744.db2.gz NMYPUXFVCKQMGD-AWEZNQCLSA-N 2 1 328.403 3.070 20 0 EGADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)cc1F ZINC000128442384 205147501 /nfs/dbraw/zinc/14/75/01/205147501.db2.gz XSKXXFDVXCLZCC-GOSISDBHSA-N 2 1 325.447 3.033 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)CC[N@H+]1C ZINC000129301372 205189568 /nfs/dbraw/zinc/18/95/68/205189568.db2.gz LKDZVCHBENTKJL-XJKSGUPXSA-N 2 1 330.394 3.338 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccncc3)cc2)CC1 ZINC000156465846 206081379 /nfs/dbraw/zinc/08/13/79/206081379.db2.gz DPRKGKYBFUWGIS-GOSISDBHSA-N 2 1 338.499 3.070 20 0 EGADMP Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000266515107 248340347 /nfs/dbraw/zinc/34/03/47/248340347.db2.gz YQFBWPDSPOMAQP-QFIPXVFZSA-N 2 1 338.495 3.325 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000266615281 248383541 /nfs/dbraw/zinc/38/35/41/248383541.db2.gz JHTGUMOMHYXXCP-HXUWFJFHSA-N 2 1 339.483 3.434 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000266615281 248383545 /nfs/dbraw/zinc/38/35/45/248383545.db2.gz JHTGUMOMHYXXCP-HXUWFJFHSA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000266615281 248383547 /nfs/dbraw/zinc/38/35/47/248383547.db2.gz JHTGUMOMHYXXCP-HXUWFJFHSA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000266615281 248383551 /nfs/dbraw/zinc/38/35/51/248383551.db2.gz JHTGUMOMHYXXCP-HXUWFJFHSA-N 2 1 339.483 3.434 20 0 EGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378337842 169103119 /nfs/dbraw/zinc/10/31/19/169103119.db2.gz BBTLQMKYUOJACB-PXNSSMCTSA-N 2 1 349.950 3.415 20 0 EGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378337842 169103120 /nfs/dbraw/zinc/10/31/20/169103120.db2.gz BBTLQMKYUOJACB-PXNSSMCTSA-N 2 1 349.950 3.415 20 0 EGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000177343289 207323105 /nfs/dbraw/zinc/32/31/05/207323105.db2.gz UIFITJCNHLUKKJ-LJQANCHMSA-N 2 1 325.456 3.298 20 0 EGADMP C[NH+]1CCC([NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000177273176 207314987 /nfs/dbraw/zinc/31/49/87/207314987.db2.gz XJYAAPVTKURKRS-UHFFFAOYSA-N 2 1 341.430 3.262 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCCOC[C@@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000268716840 252167742 /nfs/dbraw/zinc/16/77/42/252167742.db2.gz GVIREWVICGHXHK-GIVPXCGWSA-N 2 1 346.515 3.215 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCCOC[C@@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000268716840 252167744 /nfs/dbraw/zinc/16/77/44/252167744.db2.gz GVIREWVICGHXHK-GIVPXCGWSA-N 2 1 346.515 3.215 20 0 EGADMP Fc1ccc(CC[NH+]2CCC(N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000268764269 252213216 /nfs/dbraw/zinc/21/32/16/252213216.db2.gz IRTLXFISOZAAKM-RTWAWAEBSA-N 2 1 345.506 3.049 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3ccc(OC)cc32)CC1 ZINC000268820831 252270932 /nfs/dbraw/zinc/27/09/32/252270932.db2.gz NZOAVAPYHPYACC-OAQYLSRUSA-N 2 1 345.531 3.080 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)COC2 ZINC000268861121 252310622 /nfs/dbraw/zinc/31/06/22/252310622.db2.gz VOLALZJDXOHWKZ-BBWFWOEESA-N 2 1 332.488 3.257 20 0 EGADMP CC[N@@H+](Cc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCC[NH2+]CC1 ZINC000345210164 285095110 /nfs/dbraw/zinc/09/51/10/285095110.db2.gz QOWWKWAURKVVOM-HNNXBMFYSA-N 2 1 338.879 3.465 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1F ZINC000180644757 258014917 /nfs/dbraw/zinc/01/49/17/258014917.db2.gz PHPVIVWZSIHPRO-YJBOKZPZSA-N 2 1 328.431 3.243 20 0 EGADMP CC1(C)C[C@H](N[C@H]2CC[NH+]3CCCC[C@@H]23)C[N@H+]1Cc1ccccc1 ZINC000677803941 549333918 /nfs/dbraw/zinc/33/39/18/549333918.db2.gz CBJJYZJESZWFME-UFYCRDLUSA-N 2 1 327.516 3.256 20 0 EGADMP CC1(C)C[C@H](N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C[NH+]1Cc1ccccc1 ZINC000677803941 549333922 /nfs/dbraw/zinc/33/39/22/549333922.db2.gz CBJJYZJESZWFME-UFYCRDLUSA-N 2 1 327.516 3.256 20 0 EGADMP CC1(C)C[C@H](N[C@H]2CC[N@H+]3CCCC[C@@H]23)C[NH+]1Cc1ccccc1 ZINC000677803941 549333925 /nfs/dbraw/zinc/33/39/25/549333925.db2.gz CBJJYZJESZWFME-UFYCRDLUSA-N 2 1 327.516 3.256 20 0 EGADMP CCOc1ccccc1OCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000350732766 141264506 /nfs/dbraw/zinc/26/45/06/141264506.db2.gz SJCOEAIZNXTUEP-GOSISDBHSA-N 2 1 332.488 3.128 20 0 EGADMP CCOc1ccccc1OCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000350732766 141264507 /nfs/dbraw/zinc/26/45/07/141264507.db2.gz SJCOEAIZNXTUEP-GOSISDBHSA-N 2 1 332.488 3.128 20 0 EGADMP CCOc1ccccc1OCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000350732766 141264508 /nfs/dbraw/zinc/26/45/08/141264508.db2.gz SJCOEAIZNXTUEP-GOSISDBHSA-N 2 1 332.488 3.128 20 0 EGADMP CCOc1ccccc1OCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000350732766 141264509 /nfs/dbraw/zinc/26/45/09/141264509.db2.gz SJCOEAIZNXTUEP-GOSISDBHSA-N 2 1 332.488 3.128 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000352949654 141275623 /nfs/dbraw/zinc/27/56/23/141275623.db2.gz YGSOQRJYVGNFPU-QZTJIDSGSA-N 2 1 341.499 3.423 20 0 EGADMP CC1(C)C[C@@H](N[C@@H]2CC[NH+](CC3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000677805517 549335235 /nfs/dbraw/zinc/33/52/35/549335235.db2.gz NMDLUVMBYGPPDS-WOJBJXKFSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@@H](N[C@@H]2CC[NH+](CC3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000677805517 549335239 /nfs/dbraw/zinc/33/52/39/549335239.db2.gz NMDLUVMBYGPPDS-WOJBJXKFSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@@H](N[C@@H]2CC[N@H+](CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000677805517 549335244 /nfs/dbraw/zinc/33/52/44/549335244.db2.gz NMDLUVMBYGPPDS-WOJBJXKFSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@@H](N[C@@H]2CC[N@@H+](CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000677805517 549335248 /nfs/dbraw/zinc/33/52/48/549335248.db2.gz NMDLUVMBYGPPDS-WOJBJXKFSA-N 2 1 327.516 3.113 20 0 EGADMP CO[C@]1(C)CCC[N@@H+](C[C@@H](C)C[NH+]2CCC[C@](C)(OC)CC2)CC1 ZINC000361434286 286160241 /nfs/dbraw/zinc/16/02/41/286160241.db2.gz MJAIBSZWLYMLKD-OWZKRDHZSA-N 2 1 340.552 3.405 20 0 EGADMP CO[C@]1(C)CCC[NH+](C[C@@H](C)C[N@@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000361434286 286160243 /nfs/dbraw/zinc/16/02/43/286160243.db2.gz MJAIBSZWLYMLKD-OWZKRDHZSA-N 2 1 340.552 3.405 20 0 EGADMP CO[C@]1(C)CCC[NH+](C[C@@H](C)C[N@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000361434286 286160244 /nfs/dbraw/zinc/16/02/44/286160244.db2.gz MJAIBSZWLYMLKD-OWZKRDHZSA-N 2 1 340.552 3.405 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)cc2)n1 ZINC000118841875 152156131 /nfs/dbraw/zinc/15/61/31/152156131.db2.gz ABCKWYQYDXQNAK-IBGZPJMESA-N 2 1 326.488 3.263 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)cc2)n1 ZINC000118841875 152156133 /nfs/dbraw/zinc/15/61/33/152156133.db2.gz ABCKWYQYDXQNAK-IBGZPJMESA-N 2 1 326.488 3.263 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)cc2)n1 ZINC000118841875 152156135 /nfs/dbraw/zinc/15/61/35/152156135.db2.gz ABCKWYQYDXQNAK-IBGZPJMESA-N 2 1 326.488 3.263 20 0 EGADMP Cc1cc(C)cc(CCNc2ncnc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000119600511 152216573 /nfs/dbraw/zinc/21/65/73/152216573.db2.gz AVSAKHRJLJDTBB-UHFFFAOYSA-N 2 1 344.422 3.482 20 0 EGADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000121050598 152320756 /nfs/dbraw/zinc/32/07/56/152320756.db2.gz DGGHFEFEMKAQQS-GHTZIAJQSA-N 2 1 329.532 3.348 20 0 EGADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCN(C)C[C@@H]3C)cc2)CC1 ZINC000121050598 152320759 /nfs/dbraw/zinc/32/07/59/152320759.db2.gz DGGHFEFEMKAQQS-GHTZIAJQSA-N 2 1 329.532 3.348 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(-n2cc(Cl)cn2)n1 ZINC000191536183 153206471 /nfs/dbraw/zinc/20/64/71/153206471.db2.gz LYJMBJNPKUIANW-DXCKQFNASA-N 2 1 347.894 3.047 20 0 EGADMP COc1cccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1OC ZINC000192922214 153266260 /nfs/dbraw/zinc/26/62/60/153266260.db2.gz QVCCYEBFBOEKII-GOSISDBHSA-N 2 1 340.467 3.316 20 0 EGADMP COc1cccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1OC ZINC000192922214 153266264 /nfs/dbraw/zinc/26/62/64/153266264.db2.gz QVCCYEBFBOEKII-GOSISDBHSA-N 2 1 340.467 3.316 20 0 EGADMP CN(CC[N@@H+](C)CCSC1CCCCC1)C1CC[NH+](C)CC1 ZINC000337303989 154272845 /nfs/dbraw/zinc/27/28/45/154272845.db2.gz RBXLYPQYIDELSU-UHFFFAOYSA-N 2 1 327.582 3.010 20 0 EGADMP C[C@H]1CC[C@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000345313655 156051861 /nfs/dbraw/zinc/05/18/61/156051861.db2.gz RGYMUOJNQMDGQS-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000346816491 156147979 /nfs/dbraw/zinc/14/79/79/156147979.db2.gz TYAXLPDTKKTWDN-MRXNPFEDSA-N 2 1 349.494 3.027 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000346816491 156147982 /nfs/dbraw/zinc/14/79/82/156147982.db2.gz TYAXLPDTKKTWDN-MRXNPFEDSA-N 2 1 349.494 3.027 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)C[C@@H]21 ZINC000346818047 156150013 /nfs/dbraw/zinc/15/00/13/156150013.db2.gz AILZHJNAUOFUKA-KCQAQPDRSA-N 2 1 346.368 3.326 20 0 EGADMP CC[NH2+]CC1CC[NH+](Cc2cc(Br)c(OC)s2)CC1 ZINC000347004563 156240200 /nfs/dbraw/zinc/24/02/00/156240200.db2.gz ACQIQQAQSBUWSR-UHFFFAOYSA-N 2 1 347.322 3.341 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347036774 156259086 /nfs/dbraw/zinc/25/90/86/156259086.db2.gz HFNRCWGANFYIDS-MGPUTAFESA-N 2 1 326.488 3.026 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347036774 156259091 /nfs/dbraw/zinc/25/90/91/156259091.db2.gz HFNRCWGANFYIDS-MGPUTAFESA-N 2 1 326.488 3.026 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(C)nc2ccccn21 ZINC000349123964 156360843 /nfs/dbraw/zinc/36/08/43/156360843.db2.gz ADZUSMPKPXMPOR-UHFFFAOYSA-N 2 1 325.460 3.314 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(C)nc2ccccn21 ZINC000349123964 156360845 /nfs/dbraw/zinc/36/08/45/156360845.db2.gz ADZUSMPKPXMPOR-UHFFFAOYSA-N 2 1 325.460 3.314 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000352651052 156398690 /nfs/dbraw/zinc/39/86/90/156398690.db2.gz DGPOTTWGGSXADY-CVEARBPZSA-N 2 1 328.451 3.138 20 0 EGADMP CC(C)(C[NH2+]Cc1cnn(Cc2ccccc2)c1)C[NH+]1CCCC1 ZINC000360166956 156941191 /nfs/dbraw/zinc/94/11/91/156941191.db2.gz TYUCLMXWLIWKJA-UHFFFAOYSA-N 2 1 326.488 3.143 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H]3CCC[N@@H+](C(C)C)C3)c(C)n2n1 ZINC000093405352 162008740 /nfs/dbraw/zinc/00/87/40/162008740.db2.gz BNKUTTWQZGZOEC-NVXWUHKLSA-N 2 1 329.492 3.117 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H]3CCC[N@H+](C(C)C)C3)c(C)n2n1 ZINC000093405352 162008745 /nfs/dbraw/zinc/00/87/45/162008745.db2.gz BNKUTTWQZGZOEC-NVXWUHKLSA-N 2 1 329.492 3.117 20 0 EGADMP COc1cccc(NC2CC[NH+](CCCn3cc[nH+]c3C)CC2)c1 ZINC000125168232 162265630 /nfs/dbraw/zinc/26/56/30/162265630.db2.gz WUCQEYZJCLCARY-UHFFFAOYSA-N 2 1 328.460 3.167 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000125552400 162277027 /nfs/dbraw/zinc/27/70/27/162277027.db2.gz KKNXRVZYRWRFBI-UHFFFAOYSA-N 2 1 326.488 3.411 20 0 EGADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248969253 163047898 /nfs/dbraw/zinc/04/78/98/163047898.db2.gz CGUJRMAGUZCWFB-SRHPJPHMSA-N 2 1 328.500 3.038 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c(Cl)cccc2OC)C1 ZINC000338314354 163209930 /nfs/dbraw/zinc/20/99/30/163209930.db2.gz IVJXTYGRASUUDE-OAHLLOKOSA-N 2 1 340.895 3.281 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2OC)C1 ZINC000338314354 163209933 /nfs/dbraw/zinc/20/99/33/163209933.db2.gz IVJXTYGRASUUDE-OAHLLOKOSA-N 2 1 340.895 3.281 20 0 EGADMP Cc1cccc([C@@H]2CCCCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000338314359 163209995 /nfs/dbraw/zinc/20/99/95/163209995.db2.gz IXIDFXLLFXLYRN-FQEVSTJZSA-N 2 1 343.515 3.076 20 0 EGADMP Cc1cccc([C@@H]2CCCCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000338314359 163209996 /nfs/dbraw/zinc/20/99/96/163209996.db2.gz IXIDFXLLFXLYRN-FQEVSTJZSA-N 2 1 343.515 3.076 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCN[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338327937 163210964 /nfs/dbraw/zinc/21/09/64/163210964.db2.gz PJEOKHDDNKWWDR-WOJBJXKFSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338327937 163210967 /nfs/dbraw/zinc/21/09/67/163210967.db2.gz PJEOKHDDNKWWDR-WOJBJXKFSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338327937 163210969 /nfs/dbraw/zinc/21/09/69/163210969.db2.gz PJEOKHDDNKWWDR-WOJBJXKFSA-N 3 1 329.532 3.361 20 0 EGADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000338327937 163210971 /nfs/dbraw/zinc/21/09/71/163210971.db2.gz PJEOKHDDNKWWDR-WOJBJXKFSA-N 3 1 329.532 3.361 20 0 EGADMP CC1(C)CCC[N@@H+](CCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000338610028 163291134 /nfs/dbraw/zinc/29/11/34/163291134.db2.gz QCXSEISIXDUSQU-UHFFFAOYSA-N 2 1 343.515 3.134 20 0 EGADMP Cc1ccc(CCC[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000354350630 166007382 /nfs/dbraw/zinc/00/73/82/166007382.db2.gz FZVSGHIGJMSYEU-JOCHJYFZSA-N 2 1 337.511 3.477 20 0 EGADMP Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(-c2ccnn2C)c1 ZINC000338947957 163398834 /nfs/dbraw/zinc/39/88/34/163398834.db2.gz JUOHBQRUXCAXHK-QGZVFWFLSA-N 2 1 326.488 3.169 20 0 EGADMP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(-c2ccnn2C)c1 ZINC000338947957 163398837 /nfs/dbraw/zinc/39/88/37/163398837.db2.gz JUOHBQRUXCAXHK-QGZVFWFLSA-N 2 1 326.488 3.169 20 0 EGADMP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(-c2ccnn2C)c1 ZINC000338947957 163398839 /nfs/dbraw/zinc/39/88/39/163398839.db2.gz JUOHBQRUXCAXHK-QGZVFWFLSA-N 2 1 326.488 3.169 20 0 EGADMP COC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000344305603 164151280 /nfs/dbraw/zinc/15/12/80/164151280.db2.gz VMJPPWZYJRNRRZ-INIZCTEOSA-N 2 1 328.378 3.244 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000344600952 164196812 /nfs/dbraw/zinc/19/68/12/164196812.db2.gz JCZOOXLMYUZFIE-SJLPKXTDSA-N 2 1 331.504 3.106 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000345806436 164268717 /nfs/dbraw/zinc/26/87/17/164268717.db2.gz YITXHSUJXZFRDF-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000345811032 164270261 /nfs/dbraw/zinc/27/02/61/164270261.db2.gz GXNXAZSGKVPPIW-UHFFFAOYSA-N 2 1 334.508 3.167 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C)[NH+](CC)C[C@H]2C)cc1)C(C)C ZINC000345915447 164293841 /nfs/dbraw/zinc/29/38/41/164293841.db2.gz YMXNRKRAUDGXPE-ZWKOTPCHSA-N 2 1 345.531 3.472 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC[C@H]2CCCCO2)[C@H](C)C1 ZINC000354989412 166080623 /nfs/dbraw/zinc/08/06/23/166080623.db2.gz YVHQOECPKRLLTK-QRVBRYPASA-N 2 1 326.525 3.062 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000351620695 165104258 /nfs/dbraw/zinc/10/42/58/165104258.db2.gz QRIYLRCZGVIXGJ-PKOBYXMFSA-N 2 1 329.488 3.212 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000351620695 165104259 /nfs/dbraw/zinc/10/42/59/165104259.db2.gz QRIYLRCZGVIXGJ-PKOBYXMFSA-N 2 1 329.488 3.212 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000351620695 165104261 /nfs/dbraw/zinc/10/42/61/165104261.db2.gz QRIYLRCZGVIXGJ-PKOBYXMFSA-N 2 1 329.488 3.212 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000352148425 165258902 /nfs/dbraw/zinc/25/89/02/165258902.db2.gz LLIHRNHWYAQBCW-QGZVFWFLSA-N 2 1 346.450 3.103 20 0 EGADMP Cc1[nH+]ccc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c1Cl ZINC000355103734 166107239 /nfs/dbraw/zinc/10/72/39/166107239.db2.gz VSKOLNUTALPVGR-UHFFFAOYSA-N 2 1 336.911 3.038 20 0 EGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000355378028 166179983 /nfs/dbraw/zinc/17/99/83/166179983.db2.gz YVARYYDZLKKICR-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000355599877 166256967 /nfs/dbraw/zinc/25/69/67/166256967.db2.gz OSHFDIQZVVOWBX-OAQYLSRUSA-N 2 1 345.531 3.220 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000359737818 167218821 /nfs/dbraw/zinc/21/88/21/167218821.db2.gz URKFBBFFXIHSMH-XJKSGUPXSA-N 2 1 330.394 3.195 20 0 EGADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000359743834 167219985 /nfs/dbraw/zinc/21/99/85/167219985.db2.gz OKJPPOMUJRUUAW-PBHICJAKSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000359743834 167219988 /nfs/dbraw/zinc/21/99/88/167219988.db2.gz OKJPPOMUJRUUAW-PBHICJAKSA-N 2 1 339.911 3.179 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1C ZINC000359867342 167253781 /nfs/dbraw/zinc/25/37/81/167253781.db2.gz BWKMXYFQXITTLV-WMZOPIPTSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1C ZINC000359867342 167253782 /nfs/dbraw/zinc/25/37/82/167253782.db2.gz BWKMXYFQXITTLV-WMZOPIPTSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1C ZINC000359867342 167253787 /nfs/dbraw/zinc/25/37/87/167253787.db2.gz BWKMXYFQXITTLV-WMZOPIPTSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000360239892 167279421 /nfs/dbraw/zinc/27/94/21/167279421.db2.gz COHLGHRAPXFZMA-BBRMVZONSA-N 2 1 331.287 3.491 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(C(F)F)c3)C2)CC1 ZINC000366195280 168092778 /nfs/dbraw/zinc/09/27/78/168092778.db2.gz UYZPKXIZDIEYNV-SFHVURJKSA-N 2 1 337.458 3.225 20 0 EGADMP CC[C@H](NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(OC(F)F)cc1 ZINC000366218719 168095352 /nfs/dbraw/zinc/09/53/52/168095352.db2.gz MJDYMRKYCBVIEL-PVAVHDDUSA-N 2 1 340.414 3.192 20 0 EGADMP CC[C@H](NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(OC(F)F)cc1 ZINC000366218719 168095355 /nfs/dbraw/zinc/09/53/55/168095355.db2.gz MJDYMRKYCBVIEL-PVAVHDDUSA-N 2 1 340.414 3.192 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc(-c4ccccc4F)no3)C2)CC1 ZINC000366878429 168151517 /nfs/dbraw/zinc/15/15/17/168151517.db2.gz DTIFQKVBPBJQPU-UHFFFAOYSA-N 2 1 344.434 3.184 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@H](c4nccn4C)C3)s2)cn1 ZINC000367348356 168212046 /nfs/dbraw/zinc/21/20/46/168212046.db2.gz HXLUZHOMVPESBK-AWEZNQCLSA-N 2 1 341.484 3.262 20 0 EGADMP Clc1c(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cnn1Cc1ccccc1 ZINC000367401502 168220716 /nfs/dbraw/zinc/22/07/16/168220716.db2.gz ZPBVFLQQQQLOAU-MSOLQXFVSA-N 2 1 344.890 3.301 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000367765423 168268089 /nfs/dbraw/zinc/26/80/89/168268089.db2.gz MXCYPWATJNAVTM-WBVHZDCISA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000174411498 265047364 /nfs/dbraw/zinc/04/73/64/265047364.db2.gz GJLNBHKYXYBEFB-SFHVURJKSA-N 2 1 345.531 3.134 20 0 EGADMP CCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236760117 266213152 /nfs/dbraw/zinc/21/31/52/266213152.db2.gz LOZNMJPMSIEZSE-WDSOQIARSA-N 2 1 331.504 3.015 20 0 EGADMP C[N@H+](CCc1ccc(Br)cc1)CCC1CC[NH2+]CC1 ZINC000258959129 266264256 /nfs/dbraw/zinc/26/42/56/266264256.db2.gz JITIMADLLPSOCY-UHFFFAOYSA-N 2 1 325.294 3.313 20 0 EGADMP C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274884339 267302121 /nfs/dbraw/zinc/30/21/21/267302121.db2.gz IBLPTXFZOZWVSS-ILZDJORESA-N 2 1 344.524 3.456 20 0 EGADMP C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274953333 267310714 /nfs/dbraw/zinc/31/07/14/267310714.db2.gz VNHMGPUCMXQCGO-JJJJLYANSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274953333 267310717 /nfs/dbraw/zinc/31/07/17/267310717.db2.gz VNHMGPUCMXQCGO-JJJJLYANSA-N 2 1 336.479 3.145 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]CCCc1c(F)cccc1Cl ZINC000278525755 268032052 /nfs/dbraw/zinc/03/20/52/268032052.db2.gz TWOABFBKYSAXLM-OAHLLOKOSA-N 2 1 342.886 3.238 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000040621903 275123950 /nfs/dbraw/zinc/12/39/50/275123950.db2.gz GQECTGAIFUTLHS-CYBMUJFWSA-N 2 1 329.257 3.408 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000040621903 275123951 /nfs/dbraw/zinc/12/39/51/275123951.db2.gz GQECTGAIFUTLHS-CYBMUJFWSA-N 2 1 329.257 3.408 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000046426957 275137189 /nfs/dbraw/zinc/13/71/89/275137189.db2.gz FDDSDVOMDUIQTG-CALCHBBNSA-N 2 1 346.519 3.238 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271901595 275239981 /nfs/dbraw/zinc/23/99/81/275239981.db2.gz VQEZWTITNWDNCZ-MRXNPFEDSA-N 2 1 329.488 3.379 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000278804940 275276343 /nfs/dbraw/zinc/27/63/43/275276343.db2.gz ZIWSWMUVRVWKIZ-GJZGRUSLSA-N 2 1 342.430 3.440 20 0 EGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@H]1CCCOc3cc4c(cc31)CCC4)C2 ZINC000278952686 275290766 /nfs/dbraw/zinc/29/07/66/275290766.db2.gz LNBQCMSHTSRLIW-KXBFYZLASA-N 2 1 337.467 3.438 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000287318978 276107625 /nfs/dbraw/zinc/10/76/25/276107625.db2.gz DHBDAMRPRGZFBX-HOTGVXAUSA-N 2 1 330.394 3.338 20 0 EGADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc2ccccc2o1 ZINC000288666772 276239841 /nfs/dbraw/zinc/23/98/41/276239841.db2.gz WCYBKFNUNQXQRD-UHFFFAOYSA-N 2 1 339.439 3.448 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)Cc2ccccc2)C1 ZINC000354602808 276247326 /nfs/dbraw/zinc/24/73/26/276247326.db2.gz MCLQRIXXUSBTIZ-PMACEKPBSA-N 2 1 345.531 3.087 20 0 EGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[N@H+](C)Cc2ccccc2)C1 ZINC000354602808 276247327 /nfs/dbraw/zinc/24/73/27/276247327.db2.gz MCLQRIXXUSBTIZ-PMACEKPBSA-N 2 1 345.531 3.087 20 0 EGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[N@@H+](C)Cc2ccccc2)C1 ZINC000354602808 276247331 /nfs/dbraw/zinc/24/73/31/276247331.db2.gz MCLQRIXXUSBTIZ-PMACEKPBSA-N 2 1 345.531 3.087 20 0 EGADMP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OC(F)F ZINC000289591346 276362877 /nfs/dbraw/zinc/36/28/77/276362877.db2.gz KLBZDLDCRITABC-YIONKMFJSA-N 2 1 340.414 3.354 20 0 EGADMP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OC(F)F ZINC000289591346 276362878 /nfs/dbraw/zinc/36/28/78/276362878.db2.gz KLBZDLDCRITABC-YIONKMFJSA-N 2 1 340.414 3.354 20 0 EGADMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC(F)F ZINC000289591346 276362880 /nfs/dbraw/zinc/36/28/80/276362880.db2.gz KLBZDLDCRITABC-YIONKMFJSA-N 2 1 340.414 3.354 20 0 EGADMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC(F)F ZINC000289591346 276362881 /nfs/dbraw/zinc/36/28/81/276362881.db2.gz KLBZDLDCRITABC-YIONKMFJSA-N 2 1 340.414 3.354 20 0 EGADMP COc1ccc([C@@H](C)NCCC[N@@H+]2CCc3ccccc3C2)cc1O ZINC000289594547 276363517 /nfs/dbraw/zinc/36/35/17/276363517.db2.gz FPMCEKNVAURCJS-MRXNPFEDSA-N 2 1 340.467 3.500 20 0 EGADMP CC[C@@]1(C[NH2+]Cc2c[nH+]ccc2N(C)C)OCCc2ccccc21 ZINC000289703088 276380714 /nfs/dbraw/zinc/38/07/14/276380714.db2.gz DPFJFMDZOBXYNV-FQEVSTJZSA-N 2 1 325.456 3.115 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Br)nc2)C1 ZINC000289757930 276389406 /nfs/dbraw/zinc/38/94/06/276389406.db2.gz MWUZQDRFBMXOMF-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Br)nc2)C1 ZINC000289757930 276389407 /nfs/dbraw/zinc/38/94/07/276389407.db2.gz MWUZQDRFBMXOMF-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP COC(=O)[C@H](c1ccccc1C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370004667 277386496 /nfs/dbraw/zinc/38/64/96/277386496.db2.gz FTOQXUOSVIOFQQ-SFHVURJKSA-N 2 1 330.472 3.017 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000372192668 277396839 /nfs/dbraw/zinc/39/68/39/277396839.db2.gz VYRNRBQUNPAWHW-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000372192668 277396840 /nfs/dbraw/zinc/39/68/40/277396840.db2.gz VYRNRBQUNPAWHW-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000372192668 277396841 /nfs/dbraw/zinc/39/68/41/277396841.db2.gz VYRNRBQUNPAWHW-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2[C@@H](C)C[NH+](CC)C[C@@H]2C)cc1)C(C)C ZINC000344419600 279235277 /nfs/dbraw/zinc/23/52/77/279235277.db2.gz GKUBXIXELPUQPJ-ROUUACIJSA-N 2 1 345.531 3.472 20 0 EGADMP COc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H](C)C2CC2)c(OC)c1 ZINC000262039436 295127360 /nfs/dbraw/zinc/12/73/60/295127360.db2.gz YEKOHLRQFRXSLN-JKSUJKDBSA-N 2 1 332.488 3.304 20 0 EGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+](C)C ZINC000357856031 302207266 /nfs/dbraw/zinc/20/72/66/302207266.db2.gz DXAKEKSSUJZISP-STEXWYFWSA-N 2 1 345.531 3.364 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000072488989 307379428 /nfs/dbraw/zinc/37/94/28/307379428.db2.gz LUBBIWLAUMRITN-AWEZNQCLSA-N 2 1 346.393 3.238 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000072488989 307379429 /nfs/dbraw/zinc/37/94/29/307379429.db2.gz LUBBIWLAUMRITN-AWEZNQCLSA-N 2 1 346.393 3.238 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000072488989 307379430 /nfs/dbraw/zinc/37/94/30/307379430.db2.gz LUBBIWLAUMRITN-AWEZNQCLSA-N 2 1 346.393 3.238 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000072488989 307379431 /nfs/dbraw/zinc/37/94/31/307379431.db2.gz LUBBIWLAUMRITN-AWEZNQCLSA-N 2 1 346.393 3.238 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414173611 309064609 /nfs/dbraw/zinc/06/46/09/309064609.db2.gz FYUXOBAJHTTYIP-GDBMZVCRSA-N 2 1 333.476 3.036 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000414172075 309064673 /nfs/dbraw/zinc/06/46/73/309064673.db2.gz DWQXZRZVNDQIIZ-ZGGTZUKQSA-N 2 1 341.499 3.141 20 0 EGADMP CO[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(C)(C)C ZINC000154937331 307804035 /nfs/dbraw/zinc/80/40/35/307804035.db2.gz ZZXQSFDHSMPAGJ-IBGZPJMESA-N 2 1 336.495 3.483 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248391490 308001710 /nfs/dbraw/zinc/00/17/10/308001710.db2.gz CIBKGZQPYHZGSX-FXAWDEMLSA-N 2 1 339.483 3.099 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCCC[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC000248392469 308001835 /nfs/dbraw/zinc/00/18/35/308001835.db2.gz DDTGGCNYURTGLR-BHDDXSALSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCC[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC000248392469 308001836 /nfs/dbraw/zinc/00/18/36/308001836.db2.gz DDTGGCNYURTGLR-BHDDXSALSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCC[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC000248392469 308001837 /nfs/dbraw/zinc/00/18/37/308001837.db2.gz DDTGGCNYURTGLR-BHDDXSALSA-N 3 1 341.543 3.363 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248564192 308005684 /nfs/dbraw/zinc/00/56/84/308005684.db2.gz KIHHRYGCOMLWJQ-KLBVCGFUSA-N 2 1 349.563 3.170 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248564192 308005686 /nfs/dbraw/zinc/00/56/86/308005686.db2.gz KIHHRYGCOMLWJQ-KLBVCGFUSA-N 2 1 349.563 3.170 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1CN1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000414447163 309080588 /nfs/dbraw/zinc/08/05/88/309080588.db2.gz WKSMLUUOYDOPHA-OXJNMPFZSA-N 2 1 342.462 3.236 20 0 EGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3cccc(Cl)c3)C2)C1 ZINC000292823346 308069835 /nfs/dbraw/zinc/06/98/35/308069835.db2.gz AAIQKLJCEQPRNA-GOSISDBHSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(=O)Nc3cccc(Cl)c3)C2)C1 ZINC000292823346 308069837 /nfs/dbraw/zinc/06/98/37/308069837.db2.gz AAIQKLJCEQPRNA-GOSISDBHSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)Nc3cccc(Cl)c3)C2)C1 ZINC000292823346 308069839 /nfs/dbraw/zinc/06/98/39/308069839.db2.gz AAIQKLJCEQPRNA-GOSISDBHSA-N 2 1 335.879 3.086 20 0 EGADMP COc1ccc(CC[NH2+]Cc2c[nH+]ccc2N(C)C)c(Cl)c1OC ZINC000293074154 308096695 /nfs/dbraw/zinc/09/66/95/308096695.db2.gz VRXYWNGFTJJFTA-UHFFFAOYSA-N 2 1 349.862 3.151 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000293167162 308105456 /nfs/dbraw/zinc/10/54/56/308105456.db2.gz GDZVWIYUCWBUTE-UHFFFAOYSA-N 2 1 331.435 3.102 20 0 EGADMP Cc1nnc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000293334429 308121275 /nfs/dbraw/zinc/12/12/75/308121275.db2.gz MUXZWAXPKWAPLF-UHFFFAOYSA-N 2 1 342.512 3.335 20 0 EGADMP Cc1nnc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000293334429 308121277 /nfs/dbraw/zinc/12/12/77/308121277.db2.gz MUXZWAXPKWAPLF-UHFFFAOYSA-N 2 1 342.512 3.335 20 0 EGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000294448523 308221865 /nfs/dbraw/zinc/22/18/65/308221865.db2.gz YBXGORNMMLBOQP-WIYYLYMNSA-N 2 1 338.495 3.477 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)[C@H](C)C1 ZINC000294902534 308269638 /nfs/dbraw/zinc/26/96/38/308269638.db2.gz FPCSTIGSCLRFRE-MNEFBYGVSA-N 2 1 335.561 3.331 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(SC)cc2)N(C)C)[C@H](C)C1 ZINC000294902534 308269639 /nfs/dbraw/zinc/26/96/39/308269639.db2.gz FPCSTIGSCLRFRE-MNEFBYGVSA-N 2 1 335.561 3.331 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(SC)cc2)N(C)C)[C@H](C)C1 ZINC000294902534 308269640 /nfs/dbraw/zinc/26/96/40/308269640.db2.gz FPCSTIGSCLRFRE-MNEFBYGVSA-N 2 1 335.561 3.331 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295141415 308296217 /nfs/dbraw/zinc/29/62/17/308296217.db2.gz ZVJAPPYLGPLTCN-JLYLLQBASA-N 2 1 342.462 3.343 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295141415 308296219 /nfs/dbraw/zinc/29/62/19/308296219.db2.gz ZVJAPPYLGPLTCN-JLYLLQBASA-N 2 1 342.462 3.343 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295141415 308296220 /nfs/dbraw/zinc/29/62/20/308296220.db2.gz ZVJAPPYLGPLTCN-JLYLLQBASA-N 2 1 342.462 3.343 20 0 EGADMP CC(C)C[C@H](C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000295356916 308318073 /nfs/dbraw/zinc/31/80/73/308318073.db2.gz RETZUJNVZFCMER-PZJWPPBQSA-N 2 1 329.532 3.313 20 0 EGADMP C[N@@H+](CCC[NH3+])Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000414656672 309094088 /nfs/dbraw/zinc/09/40/88/309094088.db2.gz IYOZYFLEFSCLBP-UHFFFAOYSA-N 2 1 326.469 3.381 20 0 EGADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414695452 309095881 /nfs/dbraw/zinc/09/58/81/309095881.db2.gz GMCAOLDBMWQMOX-HKUYNNGSSA-N 2 1 330.520 3.008 20 0 EGADMP CC(C)c1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414716330 309097028 /nfs/dbraw/zinc/09/70/28/309097028.db2.gz ZUVHXVSNZSYLMU-XLIONFOSSA-N 2 1 343.515 3.144 20 0 EGADMP C[C@H]([N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)C ZINC000414736346 309098087 /nfs/dbraw/zinc/09/80/87/309098087.db2.gz GOHSJJMNYPAYFP-HKUYNNGSSA-N 2 1 345.531 3.121 20 0 EGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OCC ZINC000414779856 309100687 /nfs/dbraw/zinc/10/06/87/309100687.db2.gz KSFJJURLLFIIHF-MSOLQXFVSA-N 2 1 332.488 3.306 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1OC ZINC000414784949 309100963 /nfs/dbraw/zinc/10/09/63/309100963.db2.gz RVWYVYWFOFTTPJ-KBPBESRZSA-N 2 1 338.879 3.179 20 0 EGADMP CCOc1c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)nn1CC(C)C ZINC000414785397 309101213 /nfs/dbraw/zinc/10/12/13/309101213.db2.gz SOVRJDJCPJNBAE-ROUUACIJSA-N 2 1 348.535 3.068 20 0 EGADMP FC(F)Oc1c(Br)cccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414827915 309104150 /nfs/dbraw/zinc/10/41/50/309104150.db2.gz LAMMYTHZHYTZFP-SNVBAGLBSA-N 2 1 349.219 3.140 20 0 EGADMP CC1CC[NH+](C[C@H](O)CNc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000301522875 308703777 /nfs/dbraw/zinc/70/37/77/308703777.db2.gz GKOPOSTURGSNEI-OAHLLOKOSA-N 2 1 333.863 3.393 20 0 EGADMP CC1CC[NH+](Cc2ccc(CNc3nc(N(C)C)cc[nH+]3)cc2)CC1 ZINC000301714763 308712095 /nfs/dbraw/zinc/71/20/95/308712095.db2.gz ZPYHYVFHZRMAAO-UHFFFAOYSA-N 2 1 339.487 3.387 20 0 EGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc(Br)ccc1F ZINC000401721072 308908428 /nfs/dbraw/zinc/90/84/28/308908428.db2.gz BATKDKCZXXZTPA-JTQLQIEISA-N 2 1 326.213 3.215 20 0 EGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1Br ZINC000401800815 308908442 /nfs/dbraw/zinc/90/84/42/308908442.db2.gz MTHAHMWIWRHSGR-JTQLQIEISA-N 2 1 326.213 3.215 20 0 EGADMP CC(C)[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1nncn1C ZINC000411721037 308950365 /nfs/dbraw/zinc/95/03/65/308950365.db2.gz NXYWBIGUJRDROM-LJQANCHMSA-N 2 1 341.503 3.288 20 0 EGADMP [NH3+][C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)C1CC1 ZINC000414890015 309107573 /nfs/dbraw/zinc/10/75/73/309107573.db2.gz MBKHRTYADFPWDF-FQEVSTJZSA-N 2 1 332.451 3.366 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414959076 309111518 /nfs/dbraw/zinc/11/15/18/309111518.db2.gz WZTQDXHLEKEJQU-GUYCJALGSA-N 2 1 346.906 3.432 20 0 EGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000414998504 309113479 /nfs/dbraw/zinc/11/34/79/309113479.db2.gz QVPDWKVBBNZBEI-PRQLOCANSA-N 3 1 339.527 3.003 20 0 EGADMP Clc1ccccc1COc1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415037207 309115725 /nfs/dbraw/zinc/11/57/25/309115725.db2.gz MNRFKSKCODVQAB-DZFIZOCASA-N 2 1 328.843 3.226 20 0 EGADMP Brc1ccccc1-c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415038620 309115956 /nfs/dbraw/zinc/11/59/56/309115956.db2.gz NZZSPNOTVQCSAD-VQFNDLOPSA-N 2 1 343.268 3.424 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)N2CCCCC2)cc1 ZINC000415074465 309118417 /nfs/dbraw/zinc/11/84/17/309118417.db2.gz ACGBNVFNZLMSCN-CUWPLCDZSA-N 2 1 345.531 3.342 20 0 EGADMP COCCOc1cc(C)ccc1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415086484 309119383 /nfs/dbraw/zinc/11/93/83/309119383.db2.gz RREVTEYCWGDVPC-PKOBYXMFSA-N 2 1 334.504 3.421 20 0 EGADMP COc1ccc(OCC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415088325 309119467 /nfs/dbraw/zinc/11/94/67/309119467.db2.gz LSIGIXYILXFVBJ-PXNSSMCTSA-N 2 1 326.440 3.157 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)CC[NH2+]1 ZINC000415112855 309121111 /nfs/dbraw/zinc/12/11/11/309121111.db2.gz RBDMKIQDPJGIRN-QLFBSQMISA-N 2 1 334.426 3.056 20 0 EGADMP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415114427 309121326 /nfs/dbraw/zinc/12/13/26/309121326.db2.gz SOWLPSUMQWOWNX-KRWDZBQOSA-N 2 1 328.456 3.177 20 0 EGADMP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415114427 309121327 /nfs/dbraw/zinc/12/13/27/309121327.db2.gz SOWLPSUMQWOWNX-KRWDZBQOSA-N 2 1 328.456 3.177 20 0 EGADMP CC(C)Cc1ccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000415133948 309122917 /nfs/dbraw/zinc/12/29/17/309122917.db2.gz CXCPFCFMNWNRJA-UXHICEINSA-N 2 1 328.500 3.086 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000415928936 309149364 /nfs/dbraw/zinc/14/93/64/309149364.db2.gz GJNNILQAYNWADN-INIZCTEOSA-N 2 1 346.519 3.428 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415982419 309152818 /nfs/dbraw/zinc/15/28/18/309152818.db2.gz XQXCROINRFFZBO-BEFAXECRSA-N 2 1 338.455 3.102 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000415984597 309152943 /nfs/dbraw/zinc/15/29/43/309152943.db2.gz QDBBWQITNBJBHF-MRXNPFEDSA-N 2 1 340.471 3.048 20 0 EGADMP C[NH+](C)C1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000417353280 309202752 /nfs/dbraw/zinc/20/27/52/309202752.db2.gz ILHZQKHVKFATGE-AQNXPRMDSA-N 2 1 327.516 3.113 20 0 EGADMP CN(C)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000417353280 309202753 /nfs/dbraw/zinc/20/27/53/309202753.db2.gz ILHZQKHVKFATGE-AQNXPRMDSA-N 2 1 327.516 3.113 20 0 EGADMP CN(C)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000417353280 309202754 /nfs/dbraw/zinc/20/27/54/309202754.db2.gz ILHZQKHVKFATGE-AQNXPRMDSA-N 2 1 327.516 3.113 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)n(C)n1 ZINC000417876923 309226456 /nfs/dbraw/zinc/22/64/56/309226456.db2.gz RETBYOYWKVTACK-IAGOWNOFSA-N 2 1 340.515 3.496 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420290403 309279610 /nfs/dbraw/zinc/27/96/10/309279610.db2.gz LYVFMPXWQTWGRR-YVEFUNNKSA-N 2 1 330.863 3.275 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420290403 309279611 /nfs/dbraw/zinc/27/96/11/309279611.db2.gz LYVFMPXWQTWGRR-YVEFUNNKSA-N 2 1 330.863 3.275 20 0 EGADMP Clc1ccc([C@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1Cl ZINC000420294202 309279684 /nfs/dbraw/zinc/27/96/84/309279684.db2.gz AWPGDMFMQBPPJO-MLGOLLRUSA-N 2 1 329.271 3.366 20 0 EGADMP Clc1ccc([C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1Cl ZINC000420294202 309279685 /nfs/dbraw/zinc/27/96/85/309279685.db2.gz AWPGDMFMQBPPJO-MLGOLLRUSA-N 2 1 329.271 3.366 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420302700 309280353 /nfs/dbraw/zinc/28/03/53/309280353.db2.gz GKTGMRCWXOIPCA-UHFFFAOYSA-N 2 1 344.480 3.263 20 0 EGADMP COC(=O)CC1(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000420301762 309280598 /nfs/dbraw/zinc/28/05/98/309280598.db2.gz AXMQKJKEIHESQP-INIZCTEOSA-N 2 1 348.512 3.036 20 0 EGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC000420316727 309281464 /nfs/dbraw/zinc/28/14/64/309281464.db2.gz NNSVDAIZFJLQFM-IBGZPJMESA-N 2 1 325.456 3.364 20 0 EGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC000420316727 309281465 /nfs/dbraw/zinc/28/14/65/309281465.db2.gz NNSVDAIZFJLQFM-IBGZPJMESA-N 2 1 325.456 3.364 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420319644 309281696 /nfs/dbraw/zinc/28/16/96/309281696.db2.gz RVFCMBZKCMZHPB-CQSZACIVSA-N 2 1 330.428 3.313 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420319644 309281695 /nfs/dbraw/zinc/28/16/95/309281695.db2.gz RVFCMBZKCMZHPB-CQSZACIVSA-N 2 1 330.428 3.313 20 0 EGADMP Fc1cccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)co2)c1 ZINC000420319405 309281764 /nfs/dbraw/zinc/28/17/64/309281764.db2.gz ABMOVTCTIXXPEY-HZPDHXFCSA-N 2 1 329.419 3.302 20 0 EGADMP Clc1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420335362 309282752 /nfs/dbraw/zinc/28/27/52/309282752.db2.gz HFAHYHOCYHWJLE-HUUCEWRRSA-N 2 1 346.862 3.212 20 0 EGADMP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344109 309283516 /nfs/dbraw/zinc/28/35/16/309283516.db2.gz SCUKUYJCTWAGKR-ARFHVFGLSA-N 2 1 347.528 3.057 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000420357908 309283845 /nfs/dbraw/zinc/28/38/45/309283845.db2.gz ICXXXTNGUOZGTP-IBGZPJMESA-N 2 1 337.467 3.417 20 0 EGADMP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420372289 309284738 /nfs/dbraw/zinc/28/47/38/309284738.db2.gz DZBRJFWNVXWVRN-FRFSOERESA-N 2 1 335.492 3.251 20 0 EGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000420375223 309285174 /nfs/dbraw/zinc/28/51/74/309285174.db2.gz IOLNYKRQCQPMAD-WBVHZDCISA-N 2 1 347.484 3.121 20 0 EGADMP c1ccc2cc(CC[N@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)ccc2c1 ZINC000420391682 309285953 /nfs/dbraw/zinc/28/59/53/309285953.db2.gz SZLIDKWHGZMWPY-RTWAWAEBSA-N 2 1 336.479 3.083 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000420419813 309287096 /nfs/dbraw/zinc/28/70/96/309287096.db2.gz XUDMHJALZVKVEJ-VQIMIIECSA-N 2 1 337.467 3.356 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000420419813 309287097 /nfs/dbraw/zinc/28/70/97/309287097.db2.gz XUDMHJALZVKVEJ-VQIMIIECSA-N 2 1 337.467 3.356 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000420985763 309306093 /nfs/dbraw/zinc/30/60/93/309306093.db2.gz WTUYEDFWDFGDSR-UNMCSNQZSA-N 2 1 341.543 3.282 20 0 EGADMP COC1([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCOCC1 ZINC000421399270 309322864 /nfs/dbraw/zinc/32/28/64/309322864.db2.gz HRRFIYZPLAAOJW-JKSUJKDBSA-N 2 1 343.471 3.415 20 0 EGADMP COC1([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CCCC1 ZINC000421827157 309341781 /nfs/dbraw/zinc/34/17/81/309341781.db2.gz WNWDLFCLHHIEFI-MSOLQXFVSA-N 2 1 346.515 3.345 20 0 EGADMP COC1([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CCCC1 ZINC000421827157 309341782 /nfs/dbraw/zinc/34/17/82/309341782.db2.gz WNWDLFCLHHIEFI-MSOLQXFVSA-N 2 1 346.515 3.345 20 0 EGADMP COC1([C@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCCCC1 ZINC000421832286 309342291 /nfs/dbraw/zinc/34/22/91/309342291.db2.gz GBLDXJVILIJWHZ-SFHVURJKSA-N 2 1 338.536 3.349 20 0 EGADMP c1ccc(OC2CCCC2)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422691115 309363350 /nfs/dbraw/zinc/36/33/50/309363350.db2.gz HMEHSYUYNOQQJY-HSALFYBXSA-N 2 1 344.499 3.255 20 0 EGADMP COc1ccccc1[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)[NH+]1CCCCC1 ZINC000422714102 309364488 /nfs/dbraw/zinc/36/44/88/309364488.db2.gz QSRGBIMQSMWMAT-IHPCNDPISA-N 2 1 345.531 3.200 20 0 EGADMP CC1CCN([C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c2ccccc2)CC1 ZINC000422731372 309365769 /nfs/dbraw/zinc/36/57/69/309365769.db2.gz GXXXUBMDWDLTHX-HMXCVIKNSA-N 2 1 329.532 3.437 20 0 EGADMP CCOc1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)O[C@@H](C)C2 ZINC000422775342 309367666 /nfs/dbraw/zinc/36/76/66/309367666.db2.gz BFJYRAXUSAJIAV-JEDBISTDSA-N 2 1 344.499 3.419 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422839605 309371330 /nfs/dbraw/zinc/37/13/30/309371330.db2.gz QVLAXJUKECPMNB-ABSDTBQOSA-N 2 1 332.536 3.400 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(OCC2CC2)c1 ZINC000422870242 309372943 /nfs/dbraw/zinc/37/29/43/309372943.db2.gz XFNRSEVONLPXBA-XUVXKRRUSA-N 2 1 344.499 3.031 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000422888189 309374366 /nfs/dbraw/zinc/37/43/66/309374366.db2.gz BZCAXTWPPANVHP-RLLQIKCJSA-N 2 1 343.515 3.251 20 0 EGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422891666 309374632 /nfs/dbraw/zinc/37/46/32/309374632.db2.gz LGXMWQSDIHBUEU-ROUUACIJSA-N 2 1 327.403 3.047 20 0 EGADMP Cc1ccccc1CN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422905491 309375651 /nfs/dbraw/zinc/37/56/51/309375651.db2.gz ZDVDVOKBOMFOSV-BHIFYINESA-N 2 1 341.543 3.470 20 0 EGADMP N[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422913300 309375728 /nfs/dbraw/zinc/37/57/28/309375728.db2.gz YDUCFVBRERHJIO-RTWAWAEBSA-N 2 1 329.532 3.191 20 0 EGADMP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(Sc2ccccc2)CCCC1 ZINC000422910445 309375895 /nfs/dbraw/zinc/37/58/95/309375895.db2.gz QKYSBAYWLBSMNY-DLBZAZTESA-N 2 1 334.529 3.448 20 0 EGADMP CC(C)[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000422942838 309377351 /nfs/dbraw/zinc/37/73/51/309377351.db2.gz QGNMRBOCGCNYQG-UIFIKXQLSA-N 2 1 329.532 3.047 20 0 EGADMP CC(C)[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000422942838 309377352 /nfs/dbraw/zinc/37/73/52/309377352.db2.gz QGNMRBOCGCNYQG-UIFIKXQLSA-N 2 1 329.532 3.047 20 0 EGADMP CCC(CC)[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N(C)C ZINC000422965681 309378722 /nfs/dbraw/zinc/37/87/22/309378722.db2.gz PJZOCPNQWHAYJN-SVFBPWRDSA-N 2 1 345.531 3.198 20 0 EGADMP COc1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)O[C@@H](C)C2 ZINC000422968226 309378798 /nfs/dbraw/zinc/37/87/98/309378798.db2.gz QSUBEUPCQLFNPQ-JEDBISTDSA-N 2 1 344.499 3.419 20 0 EGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000423049778 309383075 /nfs/dbraw/zinc/38/30/75/309383075.db2.gz KTTSPFPFTNGUEZ-QKLQHJQFSA-N 2 1 340.398 3.105 20 0 EGADMP Cn1c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc2cc(Cl)ccc21 ZINC000423062942 309383923 /nfs/dbraw/zinc/38/39/23/309383923.db2.gz NWOXVARZEVCYGP-SOUVJXGZSA-N 2 1 332.879 3.237 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423065465 309384053 /nfs/dbraw/zinc/38/40/53/309384053.db2.gz UMYHPLUMRLUANL-CIAFKFPVSA-N 2 1 341.543 3.407 20 0 EGADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423065465 309384054 /nfs/dbraw/zinc/38/40/54/309384054.db2.gz UMYHPLUMRLUANL-CIAFKFPVSA-N 2 1 341.543 3.407 20 0 EGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)c(F)cc1Br ZINC000423101857 309385924 /nfs/dbraw/zinc/38/59/24/309385924.db2.gz DICVVGOVXXCMOQ-XPTSAGLGSA-N 2 1 333.220 3.334 20 0 EGADMP Clc1ccc2c(ccn2CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000423108671 309386330 /nfs/dbraw/zinc/38/63/30/309386330.db2.gz RMYXVXZLAASNEY-KURKYZTESA-N 2 1 347.890 3.041 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000423118064 309386774 /nfs/dbraw/zinc/38/67/74/309386774.db2.gz YQKYOYRKRHZNHY-UUKMXZOPSA-N 3 1 329.532 3.394 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000423118064 309386775 /nfs/dbraw/zinc/38/67/75/309386775.db2.gz YQKYOYRKRHZNHY-UUKMXZOPSA-N 3 1 329.532 3.394 20 0 EGADMP C[C@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)[C@H]1CCCC[NH2+]1 ZINC000423126573 309387302 /nfs/dbraw/zinc/38/73/02/309387302.db2.gz BAAPIHDGHJTVSI-WMLDXEAASA-N 2 1 334.533 3.174 20 0 EGADMP c1c2ccccc2sc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423138281 309388052 /nfs/dbraw/zinc/38/80/52/309388052.db2.gz SPYPCVIMTDAEKS-RCCFBDPRSA-N 2 1 330.497 3.191 20 0 EGADMP Clc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423143692 309388232 /nfs/dbraw/zinc/38/82/32/309388232.db2.gz DTWJXMAYICCNPK-LVGQOLGVSA-N 2 1 334.891 3.333 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)s1 ZINC000423267544 309393178 /nfs/dbraw/zinc/39/31/78/309393178.db2.gz TXYNYHCHKSDLHH-WFASDCNBSA-N 2 1 325.522 3.199 20 0 EGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423272529 309393567 /nfs/dbraw/zinc/39/35/67/309393567.db2.gz ZBXCUGACVQEMJH-NVXWUHKLSA-N 2 1 330.476 3.023 20 0 EGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2c1cc(Cl)cc2Br)C1CC1 ZINC000423283040 309393919 /nfs/dbraw/zinc/39/39/19/309393919.db2.gz VSBAAAMWIYJFSC-ZIAGYGMSSA-N 2 1 329.669 3.417 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423318129 309395055 /nfs/dbraw/zinc/39/50/55/309395055.db2.gz CCWHGJKULXYPMX-ZIFCJYIRSA-N 2 1 345.531 3.197 20 0 EGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CCC(F)(F)F)cc1 ZINC000423335981 309395791 /nfs/dbraw/zinc/39/57/91/309395791.db2.gz QGAGACWYNCPLCW-RCBQFDQVSA-N 2 1 330.394 3.461 20 0 EGADMP C[C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000423337836 309395987 /nfs/dbraw/zinc/39/59/87/309395987.db2.gz UFHCMAMTTCPNQH-NUJGCVRESA-N 2 1 331.504 3.092 20 0 EGADMP CC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]CC1 ZINC000423336505 309396033 /nfs/dbraw/zinc/39/60/33/309396033.db2.gz SWRGTIWPMPCEPJ-PWRODBHTSA-N 3 1 341.543 3.266 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000423407009 309398836 /nfs/dbraw/zinc/39/88/36/309398836.db2.gz LMKXLCDXEPGXBZ-CVEARBPZSA-N 2 1 331.504 3.337 20 0 EGADMP C[N@H+]1CC[C@H](NC[C@H]2[NH2+]CCc3ccccc32)C[C@@H]1c1ccccc1 ZINC000423426690 309399981 /nfs/dbraw/zinc/39/99/81/309399981.db2.gz NIHQGQRRAJCNCX-KSEOMHKRSA-N 2 1 335.495 3.299 20 0 EGADMP C[NH2+]C1CC[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000430935354 309621518 /nfs/dbraw/zinc/62/15/18/309621518.db2.gz PQARCRPAUDCQNM-UHFFFAOYSA-N 2 1 337.467 3.366 20 0 EGADMP Cc1ccc(N2CCC([NH2+]Cc3ccnn3C3CCCC3)CC2)[nH+]c1 ZINC000449160236 310041234 /nfs/dbraw/zinc/04/12/34/310041234.db2.gz AQCPATSSBIQTLS-UHFFFAOYSA-N 2 1 339.487 3.460 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C(C)(C)CCC[NH+](C)C)sc2C1 ZINC000449526796 310069264 /nfs/dbraw/zinc/06/92/64/310069264.db2.gz FUKXIHDXSBLXHH-UHFFFAOYSA-N 3 1 338.565 3.120 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C(C)(C)CCC[NH+](C)C)sc2C1 ZINC000449526796 310069265 /nfs/dbraw/zinc/06/92/65/310069265.db2.gz FUKXIHDXSBLXHH-UHFFFAOYSA-N 3 1 338.565 3.120 20 0 EGADMP O[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000449588514 310074095 /nfs/dbraw/zinc/07/40/95/310074095.db2.gz KYQDZHFEGQRDFH-SRHPJPHMSA-N 2 1 328.500 3.038 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000449699880 310081429 /nfs/dbraw/zinc/08/14/29/310081429.db2.gz ALRVKKPGKNIOEQ-GOSISDBHSA-N 2 1 331.504 3.036 20 0 EGADMP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000449832997 310089661 /nfs/dbraw/zinc/08/96/61/310089661.db2.gz FITRVKLOCIUDNG-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP COC(=O)c1ccc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)cc1Cl ZINC000450497422 310126540 /nfs/dbraw/zinc/12/65/40/310126540.db2.gz DAYILFPLVNASOM-HNNXBMFYSA-N 2 1 346.814 3.175 20 0 EGADMP COC(=O)c1ccc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)cc1Cl ZINC000450497422 310126541 /nfs/dbraw/zinc/12/65/41/310126541.db2.gz DAYILFPLVNASOM-HNNXBMFYSA-N 2 1 346.814 3.175 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1CN(C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000450798424 310143029 /nfs/dbraw/zinc/14/30/29/310143029.db2.gz ZBERUZPRNSBNBS-ACRUOGEOSA-N 2 1 344.547 3.269 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1CN(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000450798424 310143030 /nfs/dbraw/zinc/14/30/30/310143030.db2.gz ZBERUZPRNSBNBS-ACRUOGEOSA-N 2 1 344.547 3.269 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1CN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000450798424 310143031 /nfs/dbraw/zinc/14/30/31/310143031.db2.gz ZBERUZPRNSBNBS-ACRUOGEOSA-N 2 1 344.547 3.269 20 0 EGADMP O=C1CCC(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000451044320 310157386 /nfs/dbraw/zinc/15/73/86/310157386.db2.gz BHFMRAZPMUWJIK-PMACEKPBSA-N 2 1 326.484 3.200 20 0 EGADMP O=C1CCC(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000451044320 310157387 /nfs/dbraw/zinc/15/73/87/310157387.db2.gz BHFMRAZPMUWJIK-PMACEKPBSA-N 2 1 326.484 3.200 20 0 EGADMP O=C1CCC(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000451044320 310157388 /nfs/dbraw/zinc/15/73/88/310157388.db2.gz BHFMRAZPMUWJIK-PMACEKPBSA-N 2 1 326.484 3.200 20 0 EGADMP O=C1CCC(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000451044320 310157389 /nfs/dbraw/zinc/15/73/89/310157389.db2.gz BHFMRAZPMUWJIK-PMACEKPBSA-N 2 1 326.484 3.200 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453107520 310258295 /nfs/dbraw/zinc/25/82/95/310258295.db2.gz LICKBTKQDCFJDT-YPAWHYETSA-N 3 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453107520 310258296 /nfs/dbraw/zinc/25/82/96/310258296.db2.gz LICKBTKQDCFJDT-YPAWHYETSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453237356 310265993 /nfs/dbraw/zinc/26/59/93/310265993.db2.gz PUVRQHAAPFJHIM-MJUUVYJYSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H](Cc1cnccn1)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000453256688 310267320 /nfs/dbraw/zinc/26/73/20/310267320.db2.gz QZBHMJVTKGHNIC-AZUAARDMSA-N 2 1 338.499 3.300 20 0 EGADMP C[C@H](c1ccc(OCC[NH+](C)C)cc1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453390979 310274327 /nfs/dbraw/zinc/27/43/27/310274327.db2.gz XSTSANUXZZTRHO-YLJYHZDGSA-N 2 1 332.488 3.191 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455836885 310378841 /nfs/dbraw/zinc/37/88/41/310378841.db2.gz BDTRUPCVLUYGQY-KXBFYZLASA-N 2 1 346.519 3.477 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455872151 310380530 /nfs/dbraw/zinc/38/05/30/310380530.db2.gz YPSIEALRUYBKOU-BEFAXECRSA-N 2 1 346.519 3.477 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@H+]1C ZINC000455945513 310383146 /nfs/dbraw/zinc/38/31/46/310383146.db2.gz WCWADIWORZIBCI-LJHODMEESA-N 2 1 344.503 3.182 20 0 EGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C[N@@H+](C)Cc3ccccc3)ccc21 ZINC000456255534 310395090 /nfs/dbraw/zinc/39/50/90/310395090.db2.gz CEUDSFHMBJCDMX-HXUWFJFHSA-N 2 1 337.467 3.306 20 0 EGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C[N@H+](C)Cc3ccccc3)ccc21 ZINC000456255534 310395091 /nfs/dbraw/zinc/39/50/91/310395091.db2.gz CEUDSFHMBJCDMX-HXUWFJFHSA-N 2 1 337.467 3.306 20 0 EGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)CC[N@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000487430370 311023162 /nfs/dbraw/zinc/02/31/62/311023162.db2.gz LOOCLOFVYIBWKQ-OPYAIIAOSA-N 2 1 345.531 3.367 20 0 EGADMP O=C([C@H]1CCCc2[nH+]ccn21)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000488884298 311083362 /nfs/dbraw/zinc/08/33/62/311083362.db2.gz YECWFVRWHXMMGF-GOSISDBHSA-N 2 1 344.503 3.018 20 0 EGADMP CC(C)[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000489340044 311100865 /nfs/dbraw/zinc/10/08/65/311100865.db2.gz NZYHOURQQBJDAR-HXUWFJFHSA-N 2 1 343.515 3.085 20 0 EGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)/C=C\C(C)(C)C ZINC000492086246 311215145 /nfs/dbraw/zinc/21/51/45/311215145.db2.gz MBHNKIGEJUOZDU-SDQBBNPISA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496936258 311788116 /nfs/dbraw/zinc/78/81/16/311788116.db2.gz DRQODOSDWMMCPL-IRXDYDNUSA-N 2 1 333.476 3.003 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCC(C)(C)C ZINC000505344485 312020136 /nfs/dbraw/zinc/02/01/36/312020136.db2.gz OYKARCWEMKHNKX-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000507474290 312074277 /nfs/dbraw/zinc/07/42/77/312074277.db2.gz XDOIJESQBIBECM-MRXNPFEDSA-N 2 1 327.472 3.435 20 0 EGADMP C[C@H](NCC[N@@H+](C)C1CCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709144 312100111 /nfs/dbraw/zinc/10/01/11/312100111.db2.gz FWFJCBYOJGYCOJ-AZUAARDMSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H](NCC[NH+](C)C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508709144 312100112 /nfs/dbraw/zinc/10/01/12/312100112.db2.gz FWFJCBYOJGYCOJ-AZUAARDMSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H](NCC[NH+](C)C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709144 312100114 /nfs/dbraw/zinc/10/01/14/312100114.db2.gz FWFJCBYOJGYCOJ-AZUAARDMSA-N 3 1 329.532 3.361 20 0 EGADMP CC(C)C[C@H](CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000508718456 312100822 /nfs/dbraw/zinc/10/08/22/312100822.db2.gz NTSUXHICHXKHHJ-HLAWJBBLSA-N 2 1 331.548 3.463 20 0 EGADMP CC(C)C[C@H](C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000508718456 312100824 /nfs/dbraw/zinc/10/08/24/312100824.db2.gz NTSUXHICHXKHHJ-HLAWJBBLSA-N 3 1 331.548 3.463 20 0 EGADMP CC(C)C[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000508718456 312100826 /nfs/dbraw/zinc/10/08/26/312100826.db2.gz NTSUXHICHXKHHJ-HLAWJBBLSA-N 3 1 331.548 3.463 20 0 EGADMP c1ccc(N2CC[NH+](CCC[N@@H+]3CCC[C@H]4CCC[C@@H]43)CC2)cc1 ZINC000509666310 312123040 /nfs/dbraw/zinc/12/30/40/312123040.db2.gz NVFMHTJGKZIPBX-CTNGQTDRSA-N 2 1 327.516 3.463 20 0 EGADMP c1ccc(N2CC[NH+](CCC[N@H+]3CCC[C@H]4CCC[C@@H]43)CC2)cc1 ZINC000509666310 312123043 /nfs/dbraw/zinc/12/30/43/312123043.db2.gz NVFMHTJGKZIPBX-CTNGQTDRSA-N 2 1 327.516 3.463 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000510873130 312150038 /nfs/dbraw/zinc/15/00/38/312150038.db2.gz QYTJWEBIQJEREX-UHFFFAOYSA-N 2 1 349.950 3.449 20 0 EGADMP CCC(O)(CC)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512636685 312191197 /nfs/dbraw/zinc/19/11/97/312191197.db2.gz NFLHYYCYTNVKQC-VAMGGRTRSA-N 2 1 330.516 3.428 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1cncnc1C ZINC000516313573 312320132 /nfs/dbraw/zinc/32/01/32/312320132.db2.gz SBSWTQALFHKCSI-INIZCTEOSA-N 2 1 342.487 3.356 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527649827 312898513 /nfs/dbraw/zinc/89/85/13/312898513.db2.gz KQESKZLUNQMJCO-UHFFFAOYSA-N 2 1 330.176 3.022 20 0 EGADMP CC1([NH+]2CCOCC2)CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000528190245 313036348 /nfs/dbraw/zinc/03/63/48/313036348.db2.gz SLRWDFGHVZXRDK-UHFFFAOYSA-N 2 1 329.419 3.065 20 0 EGADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000528388914 313081191 /nfs/dbraw/zinc/08/11/91/313081191.db2.gz RSZJIBNHILXKTN-PMACEKPBSA-N 2 1 334.479 3.334 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000529526150 313343561 /nfs/dbraw/zinc/34/35/61/313343561.db2.gz SANFGMIGQNKUEF-QZTJIDSGSA-N 2 1 340.515 3.158 20 0 EGADMP CCc1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)s1 ZINC000535817571 314076840 /nfs/dbraw/zinc/07/68/40/314076840.db2.gz ICMPYZKDDJHXFY-CALCHBBNSA-N 2 1 335.561 3.301 20 0 EGADMP CCc1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)s1 ZINC000535817571 314076845 /nfs/dbraw/zinc/07/68/45/314076845.db2.gz ICMPYZKDDJHXFY-CALCHBBNSA-N 2 1 335.561 3.301 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)[C@H](C)C1 ZINC000537478711 314183978 /nfs/dbraw/zinc/18/39/78/314183978.db2.gz ZWHYTSKPDCFCRR-ZRNYENFQSA-N 2 1 340.552 3.307 20 0 EGADMP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000538798233 314276464 /nfs/dbraw/zinc/27/64/64/314276464.db2.gz UGAJYHXXUOBJFO-DFQSSKMNSA-N 2 1 332.488 3.159 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000538798233 314276466 /nfs/dbraw/zinc/27/64/66/314276466.db2.gz UGAJYHXXUOBJFO-DFQSSKMNSA-N 2 1 332.488 3.159 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2C)[C@H](C)C1 ZINC000540191519 314369338 /nfs/dbraw/zinc/36/93/38/314369338.db2.gz UCPQSJABPRBFNG-MOPGFXCFSA-N 2 1 334.504 3.100 20 0 EGADMP Cc1cncc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000545939552 314795066 /nfs/dbraw/zinc/79/50/66/314795066.db2.gz CVVVTOKNCNDLHN-AEFFLSMTSA-N 2 1 344.528 3.091 20 0 EGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000547318795 314887753 /nfs/dbraw/zinc/88/77/53/314887753.db2.gz OVZBYJLFGXQRME-HUUCEWRRSA-N 2 1 329.488 3.354 20 0 EGADMP CC1(C)CCC[C@@]1(O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000549861298 315108145 /nfs/dbraw/zinc/10/81/45/315108145.db2.gz PARWZNZTAOLKKY-OAQYLSRUSA-N 2 1 348.506 3.363 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc(Br)c3C2)CC[N@@H+]1C ZINC000550156380 315118429 /nfs/dbraw/zinc/11/84/29/315118429.db2.gz WEJYAHGBWKGELI-YUELXQCFSA-N 2 1 337.305 3.379 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc(Br)c3C2)CC[N@H+]1C ZINC000550156380 315118432 /nfs/dbraw/zinc/11/84/32/315118432.db2.gz WEJYAHGBWKGELI-YUELXQCFSA-N 2 1 337.305 3.379 20 0 EGADMP CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552247139 315208624 /nfs/dbraw/zinc/20/86/24/315208624.db2.gz CPDWZCCXRUYCSZ-XSDIEEQYSA-N 2 1 330.516 3.428 20 0 EGADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(-c2cnn(C)c2)c1 ZINC000554918088 315356896 /nfs/dbraw/zinc/35/68/96/315356896.db2.gz SDAFUBQZDYHFSZ-QGZVFWFLSA-N 2 1 326.488 3.215 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000555525191 315387607 /nfs/dbraw/zinc/38/76/07/315387607.db2.gz YMKQYEQMQRMKGX-DZGCQCFKSA-N 2 1 337.305 3.238 20 0 EGADMP CCn1ccnc1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000563622321 316047563 /nfs/dbraw/zinc/04/75/63/316047563.db2.gz DCPIUQVHNMEZNA-OALUTQOASA-N 2 1 326.488 3.075 20 0 EGADMP CCn1ccnc1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000563622321 316047566 /nfs/dbraw/zinc/04/75/66/316047566.db2.gz DCPIUQVHNMEZNA-OALUTQOASA-N 2 1 326.488 3.075 20 0 EGADMP CC1CCC(O)(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000564375496 316144585 /nfs/dbraw/zinc/14/45/85/316144585.db2.gz ALMUXBHIFDOQMB-SGCCOESXSA-N 2 1 342.527 3.382 20 0 EGADMP CC1CCC(O)(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000564375496 316144587 /nfs/dbraw/zinc/14/45/87/316144587.db2.gz ALMUXBHIFDOQMB-SGCCOESXSA-N 2 1 342.527 3.382 20 0 EGADMP CC1CCC(O)(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000564375496 316144588 /nfs/dbraw/zinc/14/45/88/316144588.db2.gz ALMUXBHIFDOQMB-SGCCOESXSA-N 2 1 342.527 3.382 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)CN(Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000565432141 316323699 /nfs/dbraw/zinc/32/36/99/316323699.db2.gz YKPNEAICPIHHHM-MRXNPFEDSA-N 2 1 332.410 3.228 20 0 EGADMP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000565432141 316323704 /nfs/dbraw/zinc/32/37/04/316323704.db2.gz YKPNEAICPIHHHM-MRXNPFEDSA-N 2 1 332.410 3.228 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000565432141 316323707 /nfs/dbraw/zinc/32/37/07/316323707.db2.gz YKPNEAICPIHHHM-MRXNPFEDSA-N 2 1 332.410 3.228 20 0 EGADMP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000565432141 316323708 /nfs/dbraw/zinc/32/37/08/316323708.db2.gz YKPNEAICPIHHHM-MRXNPFEDSA-N 2 1 332.410 3.228 20 0 EGADMP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000565432141 316323711 /nfs/dbraw/zinc/32/37/11/316323711.db2.gz YKPNEAICPIHHHM-MRXNPFEDSA-N 2 1 332.410 3.228 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccccc2)[C@@H]1c1cccs1 ZINC000565594127 316344390 /nfs/dbraw/zinc/34/43/90/316344390.db2.gz JJCLKEANPLHGKM-QWFCFKBJSA-N 2 1 344.524 3.324 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccccc2)[C@@H]1c1cccs1 ZINC000565594127 316344392 /nfs/dbraw/zinc/34/43/92/316344392.db2.gz JJCLKEANPLHGKM-QWFCFKBJSA-N 2 1 344.524 3.324 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000565828639 316375372 /nfs/dbraw/zinc/37/53/72/316375372.db2.gz XNETTXPUFXSKPW-PBHICJAKSA-N 2 1 344.421 3.321 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000572254490 317312902 /nfs/dbraw/zinc/31/29/02/317312902.db2.gz QDQHKBQIBKGQHJ-HXUWFJFHSA-N 2 1 325.456 3.323 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000572254490 317312907 /nfs/dbraw/zinc/31/29/07/317312907.db2.gz QDQHKBQIBKGQHJ-HXUWFJFHSA-N 2 1 325.456 3.323 20 0 EGADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H]2CCCc2ccccc2)n1 ZINC000572294969 317317743 /nfs/dbraw/zinc/31/77/43/317317743.db2.gz OQMPUMCKBPFHFV-INIZCTEOSA-N 2 1 328.460 3.251 20 0 EGADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000572703591 317377424 /nfs/dbraw/zinc/37/74/24/317377424.db2.gz SDMWBXWENVJPAR-CQSZACIVSA-N 2 1 341.846 3.249 20 0 EGADMP Cn1ccnc1[C@@H]1CCN(Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000572703591 317377427 /nfs/dbraw/zinc/37/74/27/317377427.db2.gz SDMWBXWENVJPAR-CQSZACIVSA-N 2 1 341.846 3.249 20 0 EGADMP COc1cc2c(cc1C[NH2+]CC(C)(C)C[NH+]1CCCC1)O[C@H](C)C2 ZINC000572784984 317391650 /nfs/dbraw/zinc/39/16/50/317391650.db2.gz SCIYGIFPCKJJRX-OAHLLOKOSA-N 2 1 332.488 3.230 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4COc5ccccc5C4)[C@H]3C2)cc1 ZINC000380816694 324244992 /nfs/dbraw/zinc/24/49/92/324244992.db2.gz DPUFIQWIVIPHCU-LRSLUSHPSA-N 2 1 348.490 3.490 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000381933101 324248060 /nfs/dbraw/zinc/24/80/60/324248060.db2.gz SOCYFNANTYEYLH-BZUAXINKSA-N 2 1 327.513 3.142 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000381933101 324248062 /nfs/dbraw/zinc/24/80/62/324248062.db2.gz SOCYFNANTYEYLH-BZUAXINKSA-N 2 1 327.513 3.142 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC[C@H]1CCCC[NH+]1C ZINC000397985287 324295073 /nfs/dbraw/zinc/29/50/73/324295073.db2.gz ODTYVCMIDANMRG-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCC[C@H]1CCCC[N@@H+]1C ZINC000397985287 324295076 /nfs/dbraw/zinc/29/50/76/324295076.db2.gz ODTYVCMIDANMRG-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCC[C@H]1CCCC[N@H+]1C ZINC000397985287 324295079 /nfs/dbraw/zinc/29/50/79/324295079.db2.gz ODTYVCMIDANMRG-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398010115 324295111 /nfs/dbraw/zinc/29/51/11/324295111.db2.gz RZPODAWBUMBJMZ-QXAKKESOSA-N 2 1 345.531 3.037 20 0 EGADMP C[C@@H](CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000579222257 325079139 /nfs/dbraw/zinc/07/91/39/325079139.db2.gz GFAXRHGIRZABNX-GUYCJALGSA-N 2 1 344.421 3.244 20 0 EGADMP C[C@@H](CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000579222257 325079141 /nfs/dbraw/zinc/07/91/41/325079141.db2.gz GFAXRHGIRZABNX-GUYCJALGSA-N 2 1 344.421 3.244 20 0 EGADMP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000579287597 325088280 /nfs/dbraw/zinc/08/82/80/325088280.db2.gz LYKYFSGNGLGVIU-SJORKVTESA-N 2 1 334.504 3.263 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000581070062 325326560 /nfs/dbraw/zinc/32/65/60/325326560.db2.gz YFLCFRVVFCAPAW-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)C[C@H](O)CN[C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000581556030 325371428 /nfs/dbraw/zinc/37/14/28/325371428.db2.gz KLCARYQPIZLALI-CVEARBPZSA-N 2 1 332.410 3.305 20 0 EGADMP CCN(C)C[C@H](O)C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000581556030 325371431 /nfs/dbraw/zinc/37/14/31/325371431.db2.gz KLCARYQPIZLALI-CVEARBPZSA-N 2 1 332.410 3.305 20 0 EGADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000581556030 325371432 /nfs/dbraw/zinc/37/14/32/325371432.db2.gz KLCARYQPIZLALI-CVEARBPZSA-N 2 1 332.410 3.305 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000581556030 325371434 /nfs/dbraw/zinc/37/14/34/325371434.db2.gz KLCARYQPIZLALI-CVEARBPZSA-N 2 1 332.410 3.305 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CN[C@H]2C[C@@H](C)C[NH+](Cc3ccccc3)C2)C1 ZINC000581694591 325383021 /nfs/dbraw/zinc/38/30/21/325383021.db2.gz YHMYHFQLKCMTQW-NRSPTQNISA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC000581694591 325383023 /nfs/dbraw/zinc/38/30/23/325383023.db2.gz YHMYHFQLKCMTQW-NRSPTQNISA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC000581694591 325383025 /nfs/dbraw/zinc/38/30/25/325383025.db2.gz YHMYHFQLKCMTQW-NRSPTQNISA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](C)CN(Cc3ccccc3)C2)C1 ZINC000581694591 325383026 /nfs/dbraw/zinc/38/30/26/325383026.db2.gz YHMYHFQLKCMTQW-NRSPTQNISA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](C)CN(Cc3ccccc3)C2)C1 ZINC000581694591 325383028 /nfs/dbraw/zinc/38/30/28/325383028.db2.gz YHMYHFQLKCMTQW-NRSPTQNISA-N 2 1 329.532 3.217 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000401761032 457529951 /nfs/dbraw/zinc/52/99/51/457529951.db2.gz ICKURUVEWDBXLD-LLVKDONJSA-N 2 1 326.263 3.064 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495351697 458839934 /nfs/dbraw/zinc/83/99/34/458839934.db2.gz HHMIQEGHRHLKGZ-HUUCEWRRSA-N 2 1 327.513 3.094 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495351697 458839938 /nfs/dbraw/zinc/83/99/38/458839938.db2.gz HHMIQEGHRHLKGZ-HUUCEWRRSA-N 2 1 327.513 3.094 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495351697 458839941 /nfs/dbraw/zinc/83/99/41/458839941.db2.gz HHMIQEGHRHLKGZ-HUUCEWRRSA-N 2 1 327.513 3.094 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NC(C)(C)CC ZINC000482130794 459291477 /nfs/dbraw/zinc/29/14/77/459291477.db2.gz WDNAYGURHKBLAB-ULQDDVLXSA-N 2 1 325.541 3.170 20 0 EGADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cccc(F)c2F)CC1 ZINC000183222804 455254150 /nfs/dbraw/zinc/25/41/50/455254150.db2.gz ZUPWDXUIXYTXED-HNNXBMFYSA-N 2 1 325.447 3.033 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)CC[N@H+]1C ZINC000180848470 455255736 /nfs/dbraw/zinc/25/57/36/455255736.db2.gz HXARJNOFLKFRSR-HOCLYGCPSA-N 2 1 330.501 3.210 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000264707451 455267450 /nfs/dbraw/zinc/26/74/50/455267450.db2.gz ANRQWWQCEPDUPT-ZDUSSCGKSA-N 2 1 348.459 3.062 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nccc(OC)c2OC)CC1 ZINC000190405914 455309825 /nfs/dbraw/zinc/30/98/25/455309825.db2.gz ZPUHDOWNTIIWMR-UHFFFAOYSA-N 2 1 335.492 3.043 20 0 EGADMP CC[N@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H](C)C1 ZINC000245732428 455368193 /nfs/dbraw/zinc/36/81/93/455368193.db2.gz IWVSSZVDIFHGLC-QFBILLFUSA-N 2 1 333.545 3.378 20 0 EGADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000081283283 453856169 /nfs/dbraw/zinc/85/61/69/453856169.db2.gz QIPYYABODWZEMV-PXNSSMCTSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000081578832 453890502 /nfs/dbraw/zinc/89/05/02/453890502.db2.gz ZEQKBPMLGOKWKL-OAHLLOKOSA-N 2 1 337.895 3.332 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000081578832 453890505 /nfs/dbraw/zinc/89/05/05/453890505.db2.gz ZEQKBPMLGOKWKL-OAHLLOKOSA-N 2 1 337.895 3.332 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000081578832 453890507 /nfs/dbraw/zinc/89/05/07/453890507.db2.gz ZEQKBPMLGOKWKL-OAHLLOKOSA-N 2 1 337.895 3.332 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1Br ZINC000040622929 453953518 /nfs/dbraw/zinc/95/35/18/453953518.db2.gz FGMNHYJYBKFLTG-AWEZNQCLSA-N 2 1 341.293 3.278 20 0 EGADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCCC1 ZINC000076677794 454024946 /nfs/dbraw/zinc/02/49/46/454024946.db2.gz VDHXEDYWJACXGU-UHFFFAOYSA-N 2 1 343.515 3.163 20 0 EGADMP COc1ccc([C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C(C)C)cc1 ZINC000245959202 455407671 /nfs/dbraw/zinc/40/76/71/455407671.db2.gz DCHQYZMKJDFYLC-AZUAARDMSA-N 2 1 334.504 3.219 20 0 EGADMP CC(C)CC[N@@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000077211821 454075872 /nfs/dbraw/zinc/07/58/72/454075872.db2.gz FKCNEAPXUOEZAB-GOSISDBHSA-N 2 1 345.531 3.134 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+](C)C2CC2)cc1)C(C)C ZINC000057704210 454142119 /nfs/dbraw/zinc/14/21/19/454142119.db2.gz IXUXLRZLBAIWHZ-MRXNPFEDSA-N 2 1 331.504 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1)C(C)C ZINC000057704210 454142120 /nfs/dbraw/zinc/14/21/20/454142120.db2.gz IXUXLRZLBAIWHZ-MRXNPFEDSA-N 2 1 331.504 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1)C(C)C ZINC000057704210 454142123 /nfs/dbraw/zinc/14/21/23/454142123.db2.gz IXUXLRZLBAIWHZ-MRXNPFEDSA-N 2 1 331.504 3.129 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000119652985 454210388 /nfs/dbraw/zinc/21/03/88/454210388.db2.gz HSPDEYUCGIXICS-CQSZACIVSA-N 2 1 342.487 3.248 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1C[NH+]1CCCCC1 ZINC000095984902 454251654 /nfs/dbraw/zinc/25/16/54/454251654.db2.gz FJVTXJMZDIYXIH-KRWDZBQOSA-N 3 1 345.531 3.426 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]CCC[NH+]3CCC(C)CC3)c(C)n2n1 ZINC000120574882 454320328 /nfs/dbraw/zinc/32/03/28/454320328.db2.gz YQNZWRKIKUSIEU-MRXNPFEDSA-N 2 1 329.492 3.119 20 0 EGADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)n(-c2ccccc2)n1 ZINC000090601390 454326349 /nfs/dbraw/zinc/32/63/49/454326349.db2.gz XOXIVCYCTIXIQL-ILZDJORESA-N 2 1 338.499 3.328 20 0 EGADMP C[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)CC[C@@H]1CCCC[NH+]1C ZINC000072725134 454332538 /nfs/dbraw/zinc/33/25/38/454332538.db2.gz FHVYAEPHVSCNCH-KRWDZBQOSA-N 2 1 339.430 3.100 20 0 EGADMP C[NH+](CCC(=O)Nc1cc(F)cc(F)c1)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725134 454332543 /nfs/dbraw/zinc/33/25/43/454332543.db2.gz FHVYAEPHVSCNCH-KRWDZBQOSA-N 2 1 339.430 3.100 20 0 EGADMP C[NH+](CCC(=O)Nc1cc(F)cc(F)c1)CC[C@@H]1CCCC[N@H+]1C ZINC000072725134 454332549 /nfs/dbraw/zinc/33/25/49/454332549.db2.gz FHVYAEPHVSCNCH-KRWDZBQOSA-N 2 1 339.430 3.100 20 0 EGADMP CCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000132768193 454364616 /nfs/dbraw/zinc/36/46/16/454364616.db2.gz YUYFNUTUHTZHAV-DZGCQCFKSA-N 2 1 337.533 3.165 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000120934281 454366131 /nfs/dbraw/zinc/36/61/31/454366131.db2.gz UBVMWUGKFLKCIV-AQNXPRMDSA-N 2 1 326.484 3.198 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N2CCC(C)CC2)cc1 ZINC000097033723 454391987 /nfs/dbraw/zinc/39/19/87/454391987.db2.gz KOPSIEFZICMGJL-INIZCTEOSA-N 2 1 340.471 3.090 20 0 EGADMP C[C@@H](NCC[N@@H+](C)C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000133228491 454403397 /nfs/dbraw/zinc/40/33/97/454403397.db2.gz YAURBSKPPDLVHB-QGZVFWFLSA-N 2 1 333.520 3.152 20 0 EGADMP C[C@@H]([NH2+]CCN(C)C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000133228491 454403403 /nfs/dbraw/zinc/40/34/03/454403403.db2.gz YAURBSKPPDLVHB-QGZVFWFLSA-N 2 1 333.520 3.152 20 0 EGADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000047973868 454426527 /nfs/dbraw/zinc/42/65/27/454426527.db2.gz YTHLXQWSSFFSMG-UHFFFAOYSA-N 2 1 334.489 3.352 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2cc(C)ccc2C)CC1 ZINC000133621672 454447264 /nfs/dbraw/zinc/44/72/64/454447264.db2.gz HODCWNYXVGVNSJ-HXUWFJFHSA-N 2 1 343.515 3.041 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3nccs3)CC2)oc1C ZINC000091723690 454461952 /nfs/dbraw/zinc/46/19/52/454461952.db2.gz POHUQXHVRMXZRS-CYBMUJFWSA-N 2 1 334.489 3.311 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](OCC(C)C)C2)CC1 ZINC000091964514 454497403 /nfs/dbraw/zinc/49/74/03/454497403.db2.gz ZRTMHRXJFKGLSU-HXUWFJFHSA-N 2 1 345.531 3.075 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000122171159 454511922 /nfs/dbraw/zinc/51/19/22/454511922.db2.gz GNSBNPJKXHYEOX-UHFFFAOYSA-N 2 1 339.911 3.305 20 0 EGADMP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1F ZINC000134860016 454598959 /nfs/dbraw/zinc/59/89/59/454598959.db2.gz GZZBRDLHVAHXQL-BEFAXECRSA-N 2 1 345.462 3.103 20 0 EGADMP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1F ZINC000134860016 454598961 /nfs/dbraw/zinc/59/89/61/454598961.db2.gz GZZBRDLHVAHXQL-BEFAXECRSA-N 2 1 345.462 3.103 20 0 EGADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1F ZINC000134860016 454598963 /nfs/dbraw/zinc/59/89/63/454598963.db2.gz GZZBRDLHVAHXQL-BEFAXECRSA-N 2 1 345.462 3.103 20 0 EGADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1F ZINC000134860016 454598966 /nfs/dbraw/zinc/59/89/66/454598966.db2.gz GZZBRDLHVAHXQL-BEFAXECRSA-N 2 1 345.462 3.103 20 0 EGADMP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000092746332 454623837 /nfs/dbraw/zinc/62/38/37/454623837.db2.gz WZRQGHGNPGTBAH-FXAWDEMLSA-N 2 1 345.531 3.136 20 0 EGADMP Nc1ccc(-c2cccc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000634994368 460644332 /nfs/dbraw/zinc/64/43/32/460644332.db2.gz ALWFOEHZIBDWAH-QZTJIDSGSA-N 2 1 336.483 3.152 20 0 EGADMP C[NH+](C)CCCC1CC[NH+](Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000123387137 454630257 /nfs/dbraw/zinc/63/02/57/454630257.db2.gz ZEOBTMPCYAQWBQ-UHFFFAOYSA-N 2 1 346.450 3.430 20 0 EGADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nnc(C2CC2)o1 ZINC000092821154 454640873 /nfs/dbraw/zinc/64/08/73/454640873.db2.gz ALRULRJDZUEJGJ-UHFFFAOYSA-N 2 1 341.459 3.081 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nnc(C2CC2)o1 ZINC000092821154 454640883 /nfs/dbraw/zinc/64/08/83/454640883.db2.gz ALRULRJDZUEJGJ-UHFFFAOYSA-N 2 1 341.459 3.081 20 0 EGADMP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1ccc(F)cc1 ZINC000052005624 454646443 /nfs/dbraw/zinc/64/64/43/454646443.db2.gz JRTXAMJWTYMMQZ-UHFFFAOYSA-N 2 1 333.451 3.105 20 0 EGADMP COc1ccc(OCCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000052004274 454646711 /nfs/dbraw/zinc/64/67/11/454646711.db2.gz ZWKOPUUQJDJKTC-UHFFFAOYSA-N 2 1 332.488 3.414 20 0 EGADMP CCC(CC)[C@H](CNc1cncc(-n2cc[nH+]c2C)n1)[NH+]1CCCC1 ZINC000092886977 454649469 /nfs/dbraw/zinc/64/94/69/454649469.db2.gz ABVIPMIRLSTHFG-KRWDZBQOSA-N 2 1 342.491 3.283 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093088578 454680736 /nfs/dbraw/zinc/68/07/36/454680736.db2.gz AJGUEKUEQLRXMY-UHFFFAOYSA-N 2 1 340.515 3.322 20 0 EGADMP Cc1ccccc1OCCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106163158 454683089 /nfs/dbraw/zinc/68/30/89/454683089.db2.gz LNFGDRYJCWJCAQ-UHFFFAOYSA-N 2 1 327.472 3.452 20 0 EGADMP CN(c1ccccc1C[N@@H+](C)CCOCC1CC1)C1CC[NH+](C)CC1 ZINC000093818591 454737787 /nfs/dbraw/zinc/73/77/87/454737787.db2.gz SPFGPAZILABCCY-UHFFFAOYSA-N 2 1 345.531 3.075 20 0 EGADMP Fc1cccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1F ZINC000635009989 460652478 /nfs/dbraw/zinc/65/24/78/460652478.db2.gz PNRPNPHPDWKMCE-QFBILLFUSA-N 2 1 330.378 3.310 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000153350842 454784980 /nfs/dbraw/zinc/78/49/80/454784980.db2.gz VFZNRQBGHZVZCW-CALCHBBNSA-N 2 1 348.491 3.055 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000153350842 454784983 /nfs/dbraw/zinc/78/49/83/454784983.db2.gz VFZNRQBGHZVZCW-CALCHBBNSA-N 2 1 348.491 3.055 20 0 EGADMP Cc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000125001204 454790046 /nfs/dbraw/zinc/79/00/46/454790046.db2.gz WBGGPKDBIBWELF-MMKMLUHNSA-N 2 1 329.532 3.450 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000153760363 454829188 /nfs/dbraw/zinc/82/91/88/454829188.db2.gz CQQUSNMUXJARPI-CABCVRRESA-N 2 1 335.517 3.346 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000163262456 454834698 /nfs/dbraw/zinc/83/46/98/454834698.db2.gz YPNBFZGMDIYSLS-GGPKGHCWSA-N 2 1 345.531 3.276 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000163262456 454834702 /nfs/dbraw/zinc/83/47/02/454834702.db2.gz YPNBFZGMDIYSLS-GGPKGHCWSA-N 2 1 345.531 3.276 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000153801903 454835059 /nfs/dbraw/zinc/83/50/59/454835059.db2.gz KBNQSPFWZJTTAC-INIZCTEOSA-N 2 1 346.393 3.130 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000635011839 460656150 /nfs/dbraw/zinc/65/61/50/460656150.db2.gz IAMFJGWPAKNXHB-JSXRDJHFSA-N 2 1 327.516 3.080 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000635011839 460656155 /nfs/dbraw/zinc/65/61/55/460656155.db2.gz IAMFJGWPAKNXHB-JSXRDJHFSA-N 2 1 327.516 3.080 20 0 EGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCOC(C)(C)C)CC2)C[C@H](C)O1 ZINC000177508272 454871798 /nfs/dbraw/zinc/87/17/98/454871798.db2.gz RPKWGHHLOIBIHI-CALCHBBNSA-N 2 1 326.525 3.013 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](c2ccccc2C)C(C)C)CC1 ZINC000112412238 454886611 /nfs/dbraw/zinc/88/66/11/454886611.db2.gz HINKFGHQXCUZRT-NRFANRHFSA-N 2 1 345.531 3.224 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000112673435 454895568 /nfs/dbraw/zinc/89/55/68/454895568.db2.gz XRALISCVZRMYOT-UHFFFAOYSA-N 2 1 331.504 3.019 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cnn(C)c1 ZINC000165292125 454897826 /nfs/dbraw/zinc/89/78/26/454897826.db2.gz WTRORUDDXDWVNW-AZUAARDMSA-N 2 1 326.488 3.025 20 0 EGADMP C[C@@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000165295726 454897839 /nfs/dbraw/zinc/89/78/39/454897839.db2.gz SJAGLPAOXLZZBI-SFHVURJKSA-N 2 1 347.522 3.154 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC000154530006 454904729 /nfs/dbraw/zinc/90/47/29/454904729.db2.gz BICAULUQGTUNFZ-OAQYLSRUSA-N 2 1 345.531 3.080 20 0 EGADMP c1ccc(COc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)nc1 ZINC000126655994 454908899 /nfs/dbraw/zinc/90/88/99/454908899.db2.gz PYAWNVOMTQDVEW-UYAOXDASSA-N 2 1 337.467 3.377 20 0 EGADMP c1ccc(COc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)nc1 ZINC000126655994 454908902 /nfs/dbraw/zinc/90/89/02/454908902.db2.gz PYAWNVOMTQDVEW-UYAOXDASSA-N 2 1 337.467 3.377 20 0 EGADMP C[N@H+](Cc1ccc(OCc2ccncc2)cc1)CC1CC[NH+](C)CC1 ZINC000154688750 454919938 /nfs/dbraw/zinc/91/99/38/454919938.db2.gz KYVWQAHBKIHNOM-UHFFFAOYSA-N 2 1 339.483 3.434 20 0 EGADMP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000178035599 454929002 /nfs/dbraw/zinc/92/90/02/454929002.db2.gz GGBUYIMLULWDJE-XHSDSOJGSA-N 2 1 338.467 3.374 20 0 EGADMP CC[N@H+]1CC[C@H](NCc2cccc(NC(=O)CC(C)C)c2)[C@H](C)C1 ZINC000154785974 454929034 /nfs/dbraw/zinc/92/90/34/454929034.db2.gz MNWFVKYMJFDXRX-APWZRJJASA-N 2 1 331.504 3.491 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)CC(C)C)c2)[C@H](C)C1 ZINC000154785974 454929041 /nfs/dbraw/zinc/92/90/41/454929041.db2.gz MNWFVKYMJFDXRX-APWZRJJASA-N 2 1 331.504 3.491 20 0 EGADMP COCc1ccc(CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)o1 ZINC000126997298 454931057 /nfs/dbraw/zinc/93/10/57/454931057.db2.gz LVIQUQZGPBPZMC-GOSISDBHSA-N 2 1 328.456 3.080 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000151102202 454937550 /nfs/dbraw/zinc/93/75/50/454937550.db2.gz RQKVAZMJFJXLSR-HOTGVXAUSA-N 2 1 331.460 3.026 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCO[C@H](C4CC4)C3)CC2)cc1 ZINC000155113479 454964258 /nfs/dbraw/zinc/96/42/58/454964258.db2.gz ROUBIGXJMAOTGX-RTWAWAEBSA-N 2 1 328.500 3.241 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000155219695 454976733 /nfs/dbraw/zinc/97/67/33/454976733.db2.gz MLJHUCVVUAMHAB-UZLBHIALSA-N 3 1 349.950 3.482 20 0 EGADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000155219695 454976735 /nfs/dbraw/zinc/97/67/35/454976735.db2.gz MLJHUCVVUAMHAB-UZLBHIALSA-N 2 1 349.950 3.482 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000151757066 455026234 /nfs/dbraw/zinc/02/62/34/455026234.db2.gz SFMXGVMPCYJVGB-YLJYHZDGSA-N 2 1 338.499 3.290 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)nc2)CC[N@H+]1Cc1ccccc1 ZINC000151757066 455026240 /nfs/dbraw/zinc/02/62/40/455026240.db2.gz SFMXGVMPCYJVGB-YLJYHZDGSA-N 2 1 338.499 3.290 20 0 EGADMP O[C@H](CN[C@@H]1CCCc2sccc21)C[N@H+]1CCc2ccccc2C1 ZINC000151795857 455031686 /nfs/dbraw/zinc/03/16/86/455031686.db2.gz RQDMMICDYKBDRN-IEBWSBKVSA-N 2 1 342.508 3.134 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000155791850 455045892 /nfs/dbraw/zinc/04/58/92/455045892.db2.gz PIMPCIOVPBPXBK-HDICACEKSA-N 2 1 345.531 3.236 20 0 EGADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000152019847 455062640 /nfs/dbraw/zinc/06/26/40/455062640.db2.gz AITMKHNFQJAKBN-HXUWFJFHSA-N 2 1 339.483 3.058 20 0 EGADMP C[C@@H](CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCC[C@H](C)C1 ZINC000155980610 455068261 /nfs/dbraw/zinc/06/82/61/455068261.db2.gz GDBNUUKTIYPFCG-VNYTWHDVSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCC[C@H](C)C1 ZINC000155980610 455068264 /nfs/dbraw/zinc/06/82/64/455068264.db2.gz GDBNUUKTIYPFCG-VNYTWHDVSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@@H](CN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C)[N@@H+]1CCC[C@H](C)C1 ZINC000155980610 455068270 /nfs/dbraw/zinc/06/82/70/455068270.db2.gz GDBNUUKTIYPFCG-VNYTWHDVSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@@H](CN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C)[N@H+]1CCC[C@H](C)C1 ZINC000155980610 455068274 /nfs/dbraw/zinc/06/82/74/455068274.db2.gz GDBNUUKTIYPFCG-VNYTWHDVSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000156187725 455091233 /nfs/dbraw/zinc/09/12/33/455091233.db2.gz UVOIKXJJYQNXIC-BBTUJRGHSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000156187725 455091236 /nfs/dbraw/zinc/09/12/36/455091236.db2.gz UVOIKXJJYQNXIC-BBTUJRGHSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000156187725 455091239 /nfs/dbraw/zinc/09/12/39/455091239.db2.gz UVOIKXJJYQNXIC-BBTUJRGHSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000156187725 455091242 /nfs/dbraw/zinc/09/12/42/455091242.db2.gz UVOIKXJJYQNXIC-BBTUJRGHSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000156187725 455091244 /nfs/dbraw/zinc/09/12/44/455091244.db2.gz UVOIKXJJYQNXIC-BBTUJRGHSA-N 2 1 329.532 3.491 20 0 EGADMP COC(=O)[C@H](C)[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccccc1 ZINC000129195604 455101639 /nfs/dbraw/zinc/10/16/39/455101639.db2.gz PENDGSXFWLHZPC-QAPCUYQASA-N 2 1 329.444 3.112 20 0 EGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656782 460662215 /nfs/dbraw/zinc/66/22/15/460662215.db2.gz BNQOYLYYXKHHNA-SFHVURJKSA-N 2 1 326.488 3.311 20 0 EGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656782 460662220 /nfs/dbraw/zinc/66/22/20/460662220.db2.gz BNQOYLYYXKHHNA-SFHVURJKSA-N 2 1 326.488 3.311 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000623656086 460663097 /nfs/dbraw/zinc/66/30/97/460663097.db2.gz MPWSUBLTXOGSDD-ICSRJNTNSA-N 2 1 332.488 3.066 20 0 EGADMP CC1CC[NH+](CCN2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000152568908 455137631 /nfs/dbraw/zinc/13/76/31/455137631.db2.gz JDSIUYNNSOPBNK-VMPITWQZSA-N 2 1 327.516 3.049 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000180242490 455151198 /nfs/dbraw/zinc/15/11/98/455151198.db2.gz AZDGUGJJYYDGTC-QGZVFWFLSA-N 2 1 341.499 3.034 20 0 EGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657483 460665833 /nfs/dbraw/zinc/66/58/33/460665833.db2.gz RNMGGTJDENSUKT-GOSISDBHSA-N 2 1 326.488 3.311 20 0 EGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657483 460665840 /nfs/dbraw/zinc/66/58/40/460665840.db2.gz RNMGGTJDENSUKT-GOSISDBHSA-N 2 1 326.488 3.311 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000180486765 455180307 /nfs/dbraw/zinc/18/03/07/455180307.db2.gz SVDPMLOPGMJJFS-OAHLLOKOSA-N 2 1 332.517 3.312 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000180486765 455180311 /nfs/dbraw/zinc/18/03/11/455180311.db2.gz SVDPMLOPGMJJFS-OAHLLOKOSA-N 2 1 332.517 3.312 20 0 EGADMP C[C@H](CC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)[NH+]1CCCCC1 ZINC000189403015 455190408 /nfs/dbraw/zinc/19/04/08/455190408.db2.gz FUOFWJOHXSMRCN-QGZVFWFLSA-N 2 1 344.478 3.425 20 0 EGADMP C[C@H]1C[C@@H]([NH+](C)CCOCC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000189521857 455212858 /nfs/dbraw/zinc/21/28/58/455212858.db2.gz GRCXTIKPVMMEMN-RDJZCZTQSA-N 2 1 326.431 3.253 20 0 EGADMP C[C@H]1C[C@@H]([NH+](C)CCOCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000189521857 455212864 /nfs/dbraw/zinc/21/28/64/455212864.db2.gz GRCXTIKPVMMEMN-RDJZCZTQSA-N 2 1 326.431 3.253 20 0 EGADMP C[C@H]1C[C@@H]([N@H+](C)CCOCC(F)F)CC[NH+]1Cc1ccccc1 ZINC000189521857 455212869 /nfs/dbraw/zinc/21/28/69/455212869.db2.gz GRCXTIKPVMMEMN-RDJZCZTQSA-N 2 1 326.431 3.253 20 0 EGADMP C[C@H]1C[C@@H]([N@@H+](C)CCOCC(F)F)CC[NH+]1Cc1ccccc1 ZINC000189521857 455212873 /nfs/dbraw/zinc/21/28/73/455212873.db2.gz GRCXTIKPVMMEMN-RDJZCZTQSA-N 2 1 326.431 3.253 20 0 EGADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc(CO)o3)c2)CC1 ZINC000174352219 455381235 /nfs/dbraw/zinc/38/12/35/455381235.db2.gz QEFOVIFDDVAOHF-UHFFFAOYSA-N 2 1 328.456 3.294 20 0 EGADMP CCCC1CCC([N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000191424962 455484834 /nfs/dbraw/zinc/48/48/34/455484834.db2.gz ABTLCEVMZBUCAV-UHFFFAOYSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@@H](C)C1 ZINC000246417699 455486153 /nfs/dbraw/zinc/48/61/53/455486153.db2.gz MYLCUMNDVRONSB-PXNSSMCTSA-N 2 1 343.515 3.133 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@@H](C)C1 ZINC000246417699 455486157 /nfs/dbraw/zinc/48/61/57/455486157.db2.gz MYLCUMNDVRONSB-PXNSSMCTSA-N 2 1 343.515 3.133 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246491730 455500160 /nfs/dbraw/zinc/50/01/60/455500160.db2.gz IJGAWIWUGQMYIK-YSIASYRMSA-N 2 1 343.515 3.030 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246491730 455500162 /nfs/dbraw/zinc/50/01/62/455500162.db2.gz IJGAWIWUGQMYIK-YSIASYRMSA-N 2 1 343.515 3.030 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246491730 455500164 /nfs/dbraw/zinc/50/01/64/455500164.db2.gz IJGAWIWUGQMYIK-YSIASYRMSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000247049653 455551240 /nfs/dbraw/zinc/55/12/40/455551240.db2.gz NESDPRRNCBNTMT-TXPKVOOTSA-N 2 1 331.504 3.490 20 0 EGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000247049653 455551241 /nfs/dbraw/zinc/55/12/41/455551241.db2.gz NESDPRRNCBNTMT-TXPKVOOTSA-N 2 1 331.504 3.490 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192165855 455567947 /nfs/dbraw/zinc/56/79/47/455567947.db2.gz VLDQWJLIMHGTMW-UHFFFAOYSA-N 2 1 349.700 3.160 20 0 EGADMP C[C@H](NCC(=O)N(C)CC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682334 455595196 /nfs/dbraw/zinc/59/51/96/455595196.db2.gz KHWQMJZYJJBVEZ-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]([NH2+]CC(=O)N(C)CC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682334 455595202 /nfs/dbraw/zinc/59/52/02/455595202.db2.gz KHWQMJZYJJBVEZ-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]([NH2+]CC(=O)N(C)CC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682334 455595207 /nfs/dbraw/zinc/59/52/07/455595207.db2.gz KHWQMJZYJJBVEZ-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NC1CCC(C)CC1 ZINC000185722293 455606204 /nfs/dbraw/zinc/60/62/04/455606204.db2.gz YJYHICKRKLVNPJ-MWXXRFSMSA-N 2 1 349.563 3.312 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)NC1CCC(C)CC1 ZINC000185722293 455606213 /nfs/dbraw/zinc/60/62/13/455606213.db2.gz YJYHICKRKLVNPJ-MWXXRFSMSA-N 2 1 349.563 3.312 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000185740105 455611466 /nfs/dbraw/zinc/61/14/66/455611466.db2.gz ZUQKTKCXXYAXHF-KBPBESRZSA-N 2 1 336.501 3.277 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000185740105 455611469 /nfs/dbraw/zinc/61/14/69/455611469.db2.gz ZUQKTKCXXYAXHF-KBPBESRZSA-N 2 1 336.501 3.277 20 0 EGADMP C[C@H]([NH2+]Cc1cc(F)cc2c1OCOC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185746141 455613572 /nfs/dbraw/zinc/61/35/72/455613572.db2.gz JMBNYXPKWRQXNM-LSDHHAIUSA-N 2 1 348.462 3.435 20 0 EGADMP C[C@H]([NH2+]Cc1cc(F)cc2c1OCOC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185746141 455613579 /nfs/dbraw/zinc/61/35/79/455613579.db2.gz JMBNYXPKWRQXNM-LSDHHAIUSA-N 2 1 348.462 3.435 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2C(F)(F)F)CCCO1 ZINC000277648357 455623795 /nfs/dbraw/zinc/62/37/95/455623795.db2.gz DMKITMCPLOYSMV-AWEZNQCLSA-N 2 1 330.394 3.296 20 0 EGADMP FCCCCC[N@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000284172450 455645778 /nfs/dbraw/zinc/64/57/78/455645778.db2.gz QUONTWKRSNHYLB-IBGZPJMESA-N 2 1 348.510 3.055 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000247954210 455659567 /nfs/dbraw/zinc/65/95/67/455659567.db2.gz FJBKJEIMYQIQBW-LVXYXVKQSA-N 2 1 333.435 3.490 20 0 EGADMP CCOc1ccc(CC[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OCC ZINC000248030094 455671263 /nfs/dbraw/zinc/67/12/63/455671263.db2.gz QCILPDQFWAWPJC-WMZOPIPTSA-N 2 1 334.504 3.346 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cnc2ccsc2c1 ZINC000271546469 455680052 /nfs/dbraw/zinc/68/00/52/455680052.db2.gz UHXRPYZPEWRNES-DOPJRALCSA-N 2 1 345.512 3.325 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)CC1 ZINC000192754991 455686419 /nfs/dbraw/zinc/68/64/19/455686419.db2.gz WOURDRFXTJYGOX-CTNGQTDRSA-N 2 1 329.532 3.281 20 0 EGADMP COc1ccsc1[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000186085999 455691475 /nfs/dbraw/zinc/69/14/75/455691475.db2.gz IXOORFCFBHNILG-OAHLLOKOSA-N 2 1 346.496 3.440 20 0 EGADMP Cc1ccccc1C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000284472678 455691585 /nfs/dbraw/zinc/69/15/85/455691585.db2.gz UMDKMHHFDZUAKO-NHCUHLMSSA-N 2 1 330.516 3.143 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccnn1C ZINC000192897209 455713844 /nfs/dbraw/zinc/71/38/44/455713844.db2.gz KYMWDENDBNZUNP-INIZCTEOSA-N 2 1 338.455 3.496 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000271692561 455725080 /nfs/dbraw/zinc/72/50/80/455725080.db2.gz QZEAVVKGYWYADZ-IBGZPJMESA-N 2 1 329.444 3.340 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCN(C)CC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000268914726 455728137 /nfs/dbraw/zinc/72/81/37/455728137.db2.gz NMFQZPGFKKQMCQ-DOTOQJQBSA-N 2 1 343.437 3.123 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCN(C)CC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000268914726 455728141 /nfs/dbraw/zinc/72/81/41/455728141.db2.gz NMFQZPGFKKQMCQ-DOTOQJQBSA-N 2 1 343.437 3.123 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186349525 455749790 /nfs/dbraw/zinc/74/97/90/455749790.db2.gz GPVZGDYHFOSDKT-KRWDZBQOSA-N 2 1 332.488 3.495 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186349525 455749795 /nfs/dbraw/zinc/74/97/95/455749795.db2.gz GPVZGDYHFOSDKT-KRWDZBQOSA-N 2 1 332.488 3.495 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186349525 455749798 /nfs/dbraw/zinc/74/97/98/455749798.db2.gz GPVZGDYHFOSDKT-KRWDZBQOSA-N 2 1 332.488 3.495 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186349525 455749801 /nfs/dbraw/zinc/74/98/01/455749801.db2.gz GPVZGDYHFOSDKT-KRWDZBQOSA-N 2 1 332.488 3.495 20 0 EGADMP CCCOc1c(Cl)cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000271835967 455780805 /nfs/dbraw/zinc/78/08/05/455780805.db2.gz PQISANDUZYSCQK-UHFFFAOYSA-N 2 1 338.879 3.489 20 0 EGADMP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252644168 455825117 /nfs/dbraw/zinc/82/51/17/455825117.db2.gz NMLUFYRJVKJCHT-SBHAEUEKSA-N 2 1 344.547 3.146 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCCC[NH+]1CCCC[C@H]1C ZINC000252644168 455825122 /nfs/dbraw/zinc/82/51/22/455825122.db2.gz NMLUFYRJVKJCHT-SBHAEUEKSA-N 2 1 344.547 3.146 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NCCC[NH+]1CCCC[C@H]1C ZINC000252644168 455825128 /nfs/dbraw/zinc/82/51/28/455825128.db2.gz NMLUFYRJVKJCHT-SBHAEUEKSA-N 2 1 344.547 3.146 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NCCC[N@@H+]1CCCC[C@H]1C ZINC000252644168 455825134 /nfs/dbraw/zinc/82/51/34/455825134.db2.gz NMLUFYRJVKJCHT-SBHAEUEKSA-N 3 1 344.547 3.146 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NCCC[N@H+]1CCCC[C@H]1C ZINC000252644168 455825139 /nfs/dbraw/zinc/82/51/39/455825139.db2.gz NMLUFYRJVKJCHT-SBHAEUEKSA-N 3 1 344.547 3.146 20 0 EGADMP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000252644167 455825370 /nfs/dbraw/zinc/82/53/70/455825370.db2.gz NMLUFYRJVKJCHT-DYXWJJEUSA-N 2 1 344.547 3.146 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCCC[NH+]1CCCC[C@@H]1C ZINC000252644167 455825377 /nfs/dbraw/zinc/82/53/77/455825377.db2.gz NMLUFYRJVKJCHT-DYXWJJEUSA-N 2 1 344.547 3.146 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NCCC[NH+]1CCCC[C@@H]1C ZINC000252644167 455825378 /nfs/dbraw/zinc/82/53/78/455825378.db2.gz NMLUFYRJVKJCHT-DYXWJJEUSA-N 2 1 344.547 3.146 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000252644167 455825382 /nfs/dbraw/zinc/82/53/82/455825382.db2.gz NMLUFYRJVKJCHT-DYXWJJEUSA-N 3 1 344.547 3.146 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NCCC[N@H+]1CCCC[C@@H]1C ZINC000252644167 455825386 /nfs/dbraw/zinc/82/53/86/455825386.db2.gz NMLUFYRJVKJCHT-DYXWJJEUSA-N 3 1 344.547 3.146 20 0 EGADMP Cc1ccc([C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C2CCC2)cc1 ZINC000187168300 455876406 /nfs/dbraw/zinc/87/64/06/455876406.db2.gz WRZISLHRMXBUFZ-NRFANRHFSA-N 2 1 329.532 3.453 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1C ZINC000272293555 455904848 /nfs/dbraw/zinc/90/48/48/455904848.db2.gz FOSLOBIRZFMOCH-TXPKVOOTSA-N 2 1 326.488 3.290 20 0 EGADMP Cc1ccc2nc(CSCc3nc(C4(N)CCCC4)no3)cn2c1 ZINC000261731278 455936920 /nfs/dbraw/zinc/93/69/20/455936920.db2.gz KGECRUYADQUYNK-UHFFFAOYSA-N 2 1 343.456 3.187 20 0 EGADMP Nc1ncc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)s1 ZINC000261747979 455938776 /nfs/dbraw/zinc/93/87/76/455938776.db2.gz JKJDGZIKAWSZDS-IBGZPJMESA-N 2 1 342.512 3.213 20 0 EGADMP Nc1ncc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)s1 ZINC000261747982 455939763 /nfs/dbraw/zinc/93/97/63/455939763.db2.gz JKJDGZIKAWSZDS-LJQANCHMSA-N 2 1 342.512 3.213 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272531225 455983825 /nfs/dbraw/zinc/98/38/25/455983825.db2.gz ARBHAAONYZPMEV-MJGOQNOKSA-N 2 1 338.499 3.148 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272531225 455983829 /nfs/dbraw/zinc/98/38/29/455983829.db2.gz ARBHAAONYZPMEV-MJGOQNOKSA-N 2 1 338.499 3.148 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000262017684 455986737 /nfs/dbraw/zinc/98/67/37/455986737.db2.gz XDLUMIRXJLHQMR-GFCCVEGCSA-N 2 1 344.286 3.383 20 0 EGADMP C[C@@H](CO[C@H]1CCOC1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286188340 455996174 /nfs/dbraw/zinc/99/61/74/455996174.db2.gz RDIWCWCRVMYLSC-RLHVNXBHSA-N 2 1 346.515 3.213 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC[C@@H]3CCCCO3)CC2)cc1 ZINC000272585818 456004367 /nfs/dbraw/zinc/00/43/67/456004367.db2.gz RGSUGSWXIAZOMQ-FQEVSTJZSA-N 2 1 334.479 3.381 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000262177570 456007978 /nfs/dbraw/zinc/00/79/78/456007978.db2.gz IHDGKKMXKLUGGM-XLIONFOSSA-N 2 1 345.531 3.293 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000272612272 456014421 /nfs/dbraw/zinc/01/44/21/456014421.db2.gz ZMZHSKOJYZPKMV-QWFCFKBJSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000272612272 456014427 /nfs/dbraw/zinc/01/44/27/456014427.db2.gz ZMZHSKOJYZPKMV-QWFCFKBJSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000262304157 456022481 /nfs/dbraw/zinc/02/24/81/456022481.db2.gz RARVIZCHMQHGHH-FUHIMQAGSA-N 2 1 343.515 3.052 20 0 EGADMP C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000262480629 456039611 /nfs/dbraw/zinc/03/96/11/456039611.db2.gz JXHYAAHFEJFKME-ZDUSSCGKSA-N 2 1 344.286 3.396 20 0 EGADMP Cc1ccc([C@@H]([NH3+])C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000262614826 456046326 /nfs/dbraw/zinc/04/63/26/456046326.db2.gz CMJBEDDAZUCVME-YLJYHZDGSA-N 2 1 339.483 3.022 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1([S@](C)=O)CCC1 ZINC000280758807 456046850 /nfs/dbraw/zinc/04/68/50/456046850.db2.gz YLWPDAUTLRJDIG-QHCPKHFHSA-N 2 1 336.545 3.035 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1([S@](C)=O)CCC1 ZINC000280758807 456046854 /nfs/dbraw/zinc/04/68/54/456046854.db2.gz YLWPDAUTLRJDIG-QHCPKHFHSA-N 2 1 336.545 3.035 20 0 EGADMP C[NH+](C)CCC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000272705609 456047056 /nfs/dbraw/zinc/04/70/56/456047056.db2.gz VXYRTYJPIZVRCU-IAGOWNOFSA-N 2 1 333.476 3.239 20 0 EGADMP COCCOC[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000271177639 456156663 /nfs/dbraw/zinc/15/66/63/456156663.db2.gz IJGLLBKUUWNEDX-HXUWFJFHSA-N 2 1 348.531 3.130 20 0 EGADMP COCCOC[C@@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000271177639 456156671 /nfs/dbraw/zinc/15/66/71/456156671.db2.gz IJGLLBKUUWNEDX-HXUWFJFHSA-N 2 1 348.531 3.130 20 0 EGADMP COCCOC[C@@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000271177639 456156675 /nfs/dbraw/zinc/15/66/75/456156675.db2.gz IJGLLBKUUWNEDX-HXUWFJFHSA-N 2 1 348.531 3.130 20 0 EGADMP CC(C)(C)c1cnc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000333125574 456163927 /nfs/dbraw/zinc/16/39/27/456163927.db2.gz HFHIBKGDWMWHHZ-RHSMWYFYSA-N 2 1 337.533 3.159 20 0 EGADMP COc1ncccc1CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290028968 456219810 /nfs/dbraw/zinc/21/98/10/456219810.db2.gz CSWZEBMUBZUBQQ-XLIONFOSSA-N 2 1 339.483 3.133 20 0 EGADMP Fc1ccc([C@H](C[C@@H]2CCCO2)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000290045974 456225304 /nfs/dbraw/zinc/22/53/04/456225304.db2.gz BTUKZECAIRWILB-MNEFBYGVSA-N 2 1 343.446 3.485 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4ccccc4C3)cc2)CC1 ZINC000237092082 456231825 /nfs/dbraw/zinc/23/18/25/456231825.db2.gz RKYBBJCQOPYDFG-QHCPKHFHSA-N 2 1 349.522 3.081 20 0 EGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281630985 456278520 /nfs/dbraw/zinc/27/85/20/456278520.db2.gz OHCZGLWNPIAKNF-ZCNNSNEGSA-N 2 1 347.478 3.029 20 0 EGADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCCOC2)CC3)cc1 ZINC000342872539 456285929 /nfs/dbraw/zinc/28/59/29/456285929.db2.gz CKBIWOSTHIXVAD-FQEVSTJZSA-N 2 1 328.500 3.401 20 0 EGADMP CSc1cc2c(cc1CN1CCC[C@H]3C[N@@H+](C)CC[C@H]31)OCCO2 ZINC000290313752 456287019 /nfs/dbraw/zinc/28/70/19/456287019.db2.gz CJAUXBNOPHWQLP-GOEBONIOSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[N@@H+]1CCC[C@H]3C[NH+](C)CC[C@H]31)OCCO2 ZINC000290313752 456287024 /nfs/dbraw/zinc/28/70/24/456287024.db2.gz CJAUXBNOPHWQLP-GOEBONIOSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[N@H+]1CCC[C@H]3C[NH+](C)CC[C@H]31)OCCO2 ZINC000290313752 456287030 /nfs/dbraw/zinc/28/70/30/456287030.db2.gz CJAUXBNOPHWQLP-GOEBONIOSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[NH+]1CCC[C@H]3C[N@H+](C)CC[C@H]31)OCCO2 ZINC000290313752 456287034 /nfs/dbraw/zinc/28/70/34/456287034.db2.gz CJAUXBNOPHWQLP-GOEBONIOSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[NH+]1CCC[C@H]3C[N@@H+](C)CC[C@H]31)OCCO2 ZINC000290313752 456287038 /nfs/dbraw/zinc/28/70/38/456287038.db2.gz CJAUXBNOPHWQLP-GOEBONIOSA-N 2 1 348.512 3.096 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2cn3c(n2)CCCC3)C[C@@H]1c1ccccc1 ZINC000340176367 456292860 /nfs/dbraw/zinc/29/28/60/456292860.db2.gz WSPWPFAGQZZYLI-UYAOXDASSA-N 2 1 338.499 3.187 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cn3c(n2)CCCC3)C[C@@H]1c1ccccc1 ZINC000340176367 456292865 /nfs/dbraw/zinc/29/28/65/456292865.db2.gz WSPWPFAGQZZYLI-UYAOXDASSA-N 2 1 338.499 3.187 20 0 EGADMP Clc1ccc2c(n1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000297836669 456305862 /nfs/dbraw/zinc/30/58/62/456305862.db2.gz SCMZITABDCKTAC-WMLDXEAASA-N 2 1 349.906 3.203 20 0 EGADMP COc1cccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000336790295 456308245 /nfs/dbraw/zinc/30/82/45/456308245.db2.gz KYHQYCHSHQTOPQ-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP COc1cccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000336790295 456308253 /nfs/dbraw/zinc/30/82/53/456308253.db2.gz KYHQYCHSHQTOPQ-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1c[nH]c2nccnc12 ZINC000290384559 456311698 /nfs/dbraw/zinc/31/16/98/456311698.db2.gz IWZJSELIYZUMGM-MRXNPFEDSA-N 2 1 346.438 3.281 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2cnccc2C)[C@@H](C)C1 ZINC000290387391 456312984 /nfs/dbraw/zinc/31/29/84/456312984.db2.gz OJRNVDCGRFCBRJ-ICSRJNTNSA-N 2 1 333.520 3.049 20 0 EGADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCCc2occc21 ZINC000290420705 456323998 /nfs/dbraw/zinc/32/39/98/456323998.db2.gz URTGPSVZXZHYBV-QGZVFWFLSA-N 2 1 329.444 3.172 20 0 EGADMP CN(CCCC[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352811566 456330537 /nfs/dbraw/zinc/33/05/37/456330537.db2.gz FBCCILKPRJEIIH-UHFFFAOYSA-N 2 1 332.517 3.211 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@]3(CCN(CCC[NH+]4CCCCC4)C3)C2)cc1 ZINC000352814497 456332035 /nfs/dbraw/zinc/33/20/35/456332035.db2.gz HAKFNVZCDMJDPB-JOCHJYFZSA-N 2 1 341.543 3.460 20 0 EGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]c3nccnc23)C1 ZINC000290505743 456347556 /nfs/dbraw/zinc/34/75/56/456347556.db2.gz SSPANVSSJQZNGR-JKSUJKDBSA-N 2 1 327.476 3.044 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]c3nccnc23)C1 ZINC000290505743 456347563 /nfs/dbraw/zinc/34/75/63/456347563.db2.gz SSPANVSSJQZNGR-JKSUJKDBSA-N 2 1 327.476 3.044 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2c[nH]c3nccnc23)C1 ZINC000290505743 456347567 /nfs/dbraw/zinc/34/75/67/456347567.db2.gz SSPANVSSJQZNGR-JKSUJKDBSA-N 2 1 327.476 3.044 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2c[nH]c3nccnc23)C1 ZINC000290505743 456347572 /nfs/dbraw/zinc/34/75/72/456347572.db2.gz SSPANVSSJQZNGR-JKSUJKDBSA-N 2 1 327.476 3.044 20 0 EGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cc(OC)cc(OC)c1 ZINC000290579134 456371273 /nfs/dbraw/zinc/37/12/73/456371273.db2.gz UKFNLHVZVWIEFN-UHFFFAOYSA-N 2 1 331.460 3.375 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(OC)cc(OC)c1 ZINC000290579134 456371289 /nfs/dbraw/zinc/37/12/89/456371289.db2.gz UKFNLHVZVWIEFN-UHFFFAOYSA-N 2 1 331.460 3.375 20 0 EGADMP CSC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000340303436 456375696 /nfs/dbraw/zinc/37/56/96/456375696.db2.gz PKIFXCJKGMRRJF-QZTJIDSGSA-N 2 1 334.529 3.324 20 0 EGADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000340303436 456375701 /nfs/dbraw/zinc/37/57/01/456375701.db2.gz PKIFXCJKGMRRJF-QZTJIDSGSA-N 2 1 334.529 3.324 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000298234615 456399604 /nfs/dbraw/zinc/39/96/04/456399604.db2.gz BQBLRUXGAJSIIK-UHFFFAOYSA-N 2 1 345.531 3.124 20 0 EGADMP CCCCCC(=O)NC1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000348074285 456457362 /nfs/dbraw/zinc/45/73/62/456457362.db2.gz OKDTVFLUQNONBM-UHFFFAOYSA-N 2 1 334.508 3.133 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000348086401 456468258 /nfs/dbraw/zinc/46/82/58/456468258.db2.gz ZFVFBWPWKHYKPT-UHFFFAOYSA-N 2 1 335.455 3.216 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000348086401 456468263 /nfs/dbraw/zinc/46/82/63/456468263.db2.gz ZFVFBWPWKHYKPT-UHFFFAOYSA-N 2 1 335.455 3.216 20 0 EGADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3c[nH]c4nccnc34)C2)c1 ZINC000290926973 456469860 /nfs/dbraw/zinc/46/98/60/456469860.db2.gz RKJZHSVYAGWSFM-AWEZNQCLSA-N 2 1 341.484 3.021 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3c[nH]c4nccnc34)C2)c1 ZINC000290926973 456469866 /nfs/dbraw/zinc/46/98/66/456469866.db2.gz RKJZHSVYAGWSFM-AWEZNQCLSA-N 2 1 341.484 3.021 20 0 EGADMP C[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccncc1F ZINC000340474006 456481051 /nfs/dbraw/zinc/48/10/51/456481051.db2.gz GBKNXHPAHUONBL-FUHWJXTLSA-N 2 1 327.447 3.436 20 0 EGADMP C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccncc1F ZINC000340511047 456500832 /nfs/dbraw/zinc/50/08/32/456500832.db2.gz YGXXZQIGWLGUSD-FUHWJXTLSA-N 2 1 343.446 3.162 20 0 EGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000340523435 456509323 /nfs/dbraw/zinc/50/93/23/456509323.db2.gz DEHHOONHSPMSPJ-AZUAARDMSA-N 2 1 328.504 3.408 20 0 EGADMP CC(C)CCn1cccc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000305128152 456528477 /nfs/dbraw/zinc/52/84/77/456528477.db2.gz JAKALDYKTRIPTB-SFTDATJTSA-N 2 1 347.547 3.392 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)N2CCCc3ccccc32)C[C@@H]1C ZINC000348254730 456574594 /nfs/dbraw/zinc/57/45/94/456574594.db2.gz FTQJAMGEKCZALA-PKOBYXMFSA-N 2 1 343.515 3.161 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)N2CCCc3ccccc32)C[C@@H]1C ZINC000348254730 456574601 /nfs/dbraw/zinc/57/46/01/456574601.db2.gz FTQJAMGEKCZALA-PKOBYXMFSA-N 2 1 343.515 3.161 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)N2CCCc3ccccc32)C[C@@H]1C ZINC000348254730 456574604 /nfs/dbraw/zinc/57/46/04/456574604.db2.gz FTQJAMGEKCZALA-PKOBYXMFSA-N 2 1 343.515 3.161 20 0 EGADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000353245337 456584564 /nfs/dbraw/zinc/58/45/64/456584564.db2.gz UDDYLMGJYREVAW-JXFKEZNVSA-N 2 1 346.515 3.244 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cn(C)nc1C(F)F ZINC000291300650 456598190 /nfs/dbraw/zinc/59/81/90/456598190.db2.gz WQRDHGYGHURDJC-UHFFFAOYSA-N 2 1 336.430 3.488 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)Cc2cccc(Cl)c2)CC1 ZINC000282771971 456620211 /nfs/dbraw/zinc/62/02/11/456620211.db2.gz WYYWGQHAALATMG-KRWDZBQOSA-N 2 1 337.939 3.278 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000282875173 456652258 /nfs/dbraw/zinc/65/22/58/456652258.db2.gz WCWGSKWTHGADAB-GOSISDBHSA-N 2 1 341.503 3.048 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)[C@@H](C)C1 ZINC000277032500 456659952 /nfs/dbraw/zinc/65/99/52/456659952.db2.gz FJVRGAFBXMPUGQ-LRGNLBRXSA-N 2 1 348.506 3.219 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000338169112 456680938 /nfs/dbraw/zinc/68/09/38/456680938.db2.gz ILCLOTPZEIVNQW-UZLBHIALSA-N 2 1 335.455 3.191 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277129350 456691842 /nfs/dbraw/zinc/69/18/42/456691842.db2.gz GJUWOSFXHOYOKP-FQEVSTJZSA-N 2 1 345.531 3.475 20 0 EGADMP CCOC(=O)CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000343542822 456695701 /nfs/dbraw/zinc/69/57/01/456695701.db2.gz VEOLWCOFMQJCKR-PMACEKPBSA-N 2 1 344.499 3.316 20 0 EGADMP CCOC(=O)CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000343542822 456695709 /nfs/dbraw/zinc/69/57/09/456695709.db2.gz VEOLWCOFMQJCKR-PMACEKPBSA-N 2 1 344.499 3.316 20 0 EGADMP CCOC(=O)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000343542822 456695716 /nfs/dbraw/zinc/69/57/16/456695716.db2.gz VEOLWCOFMQJCKR-PMACEKPBSA-N 2 1 344.499 3.316 20 0 EGADMP CCOC(=O)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000343542822 456695722 /nfs/dbraw/zinc/69/57/22/456695722.db2.gz VEOLWCOFMQJCKR-PMACEKPBSA-N 2 1 344.499 3.316 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000353523564 456735551 /nfs/dbraw/zinc/73/55/51/456735551.db2.gz JZQRZKTZKYGKNO-OXQOHEQNSA-N 2 1 329.488 3.389 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000277258685 456749812 /nfs/dbraw/zinc/74/98/12/456749812.db2.gz QSWUDAAMSXRRKQ-UHFFFAOYSA-N 2 1 333.432 3.046 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000277258685 456749823 /nfs/dbraw/zinc/74/98/23/456749823.db2.gz QSWUDAAMSXRRKQ-UHFFFAOYSA-N 2 1 333.432 3.046 20 0 EGADMP CCc1ccc2c(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)cc(=O)oc2c1 ZINC000277305604 456769650 /nfs/dbraw/zinc/76/96/50/456769650.db2.gz UJRNLZGXWAMJCP-KRWDZBQOSA-N 2 1 328.456 3.272 20 0 EGADMP CCc1ccc2c(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)cc(=O)oc2c1 ZINC000277305604 456769656 /nfs/dbraw/zinc/76/96/56/456769656.db2.gz UJRNLZGXWAMJCP-KRWDZBQOSA-N 2 1 328.456 3.272 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(=O)[nH]n1 ZINC000353621328 456809194 /nfs/dbraw/zinc/80/91/94/456809194.db2.gz LZCZSHLQGXLYEW-BQFCYCMXSA-N 2 1 340.471 3.134 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C)cc1-c1ccnn1C ZINC000338429390 456813487 /nfs/dbraw/zinc/81/34/87/456813487.db2.gz FOXYHKJPUQKXAB-MRXNPFEDSA-N 2 1 337.471 3.326 20 0 EGADMP CO[C@@H](C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000338545318 456838794 /nfs/dbraw/zinc/83/87/94/456838794.db2.gz AFBTYYXXELNCQE-UEXGIBASSA-N 2 1 346.515 3.195 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292076969 456847701 /nfs/dbraw/zinc/84/77/01/456847701.db2.gz LSNTXTGPKJCPIU-PXNSSMCTSA-N 2 1 343.515 3.209 20 0 EGADMP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353681945 456852061 /nfs/dbraw/zinc/85/20/61/456852061.db2.gz NANCEESASCYAAJ-GJHJYOIJSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000353681945 456852064 /nfs/dbraw/zinc/85/20/64/456852064.db2.gz NANCEESASCYAAJ-GJHJYOIJSA-N 2 1 329.532 3.359 20 0 EGADMP C[N@H+]1CC[C@]2(CCN(Cc3csc(-c4ccc(F)cc4)n3)C2)C1 ZINC000292189250 456880436 /nfs/dbraw/zinc/88/04/36/456880436.db2.gz RERYFJSWBLHRHX-SFHVURJKSA-N 2 1 331.460 3.477 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc2c(C)cccn12 ZINC000349192787 456909252 /nfs/dbraw/zinc/90/92/52/456909252.db2.gz PMKZLMAXTWIQMU-UHFFFAOYSA-N 2 1 325.460 3.314 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc2c(C)cccn12 ZINC000349192787 456909257 /nfs/dbraw/zinc/90/92/57/456909257.db2.gz PMKZLMAXTWIQMU-UHFFFAOYSA-N 2 1 325.460 3.314 20 0 EGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000339069745 456925810 /nfs/dbraw/zinc/92/58/10/456925810.db2.gz VIBIGKPVYAEQRK-UXHICEINSA-N 2 1 327.516 3.040 20 0 EGADMP CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000339069745 456925816 /nfs/dbraw/zinc/92/58/16/456925816.db2.gz VIBIGKPVYAEQRK-UXHICEINSA-N 2 1 327.516 3.040 20 0 EGADMP CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000339069745 456925820 /nfs/dbraw/zinc/92/58/20/456925820.db2.gz VIBIGKPVYAEQRK-UXHICEINSA-N 2 1 327.516 3.040 20 0 EGADMP CC(C)(CN[C@@H]1CC[NH+]2CCC[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000339069745 456925823 /nfs/dbraw/zinc/92/58/23/456925823.db2.gz VIBIGKPVYAEQRK-UXHICEINSA-N 2 1 327.516 3.040 20 0 EGADMP CC(C)(CN[C@@H]1CC[NH+]2CCC[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000339069745 456925829 /nfs/dbraw/zinc/92/58/29/456925829.db2.gz VIBIGKPVYAEQRK-UXHICEINSA-N 2 1 327.516 3.040 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC000345162315 456948414 /nfs/dbraw/zinc/94/84/14/456948414.db2.gz SATJAFNUZOOSAL-SFHVURJKSA-N 2 1 345.531 3.408 20 0 EGADMP C[C@H](Cn1cccn1)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000345182400 456956335 /nfs/dbraw/zinc/95/63/35/456956335.db2.gz VYPAYAJNRVLOPI-QZTJIDSGSA-N 2 1 326.488 3.436 20 0 EGADMP COc1cc2c(c(C[N@H+](C)CCCn3cc[nH+]c3C)c1)O[C@@H](C)C2 ZINC000349384487 456959594 /nfs/dbraw/zinc/95/95/94/456959594.db2.gz PFKZBACMOWXGOQ-AWEZNQCLSA-N 2 1 329.444 3.046 20 0 EGADMP COc1cc2c(c(C[N@@H+](C)CCCn3cc[nH+]c3C)c1)O[C@@H](C)C2 ZINC000349384487 456959598 /nfs/dbraw/zinc/95/95/98/456959598.db2.gz PFKZBACMOWXGOQ-AWEZNQCLSA-N 2 1 329.444 3.046 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)CCCn1ccnc1 ZINC000349388591 456961726 /nfs/dbraw/zinc/96/17/26/456961726.db2.gz ZQBUUWLBPMOQJE-UHFFFAOYSA-N 2 1 328.504 3.363 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)CCCn1ccnc1 ZINC000349388591 456961728 /nfs/dbraw/zinc/96/17/28/456961728.db2.gz ZQBUUWLBPMOQJE-UHFFFAOYSA-N 2 1 328.504 3.363 20 0 EGADMP C[NH+](CCCn1ccnc1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000349388591 456961733 /nfs/dbraw/zinc/96/17/33/456961733.db2.gz ZQBUUWLBPMOQJE-UHFFFAOYSA-N 2 1 328.504 3.363 20 0 EGADMP C[NH+](CCCn1ccnc1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000349388591 456961737 /nfs/dbraw/zinc/96/17/37/456961737.db2.gz ZQBUUWLBPMOQJE-UHFFFAOYSA-N 2 1 328.504 3.363 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc3cnccn23)CC1)CC(C)C ZINC000349405076 456963296 /nfs/dbraw/zinc/96/32/96/456963296.db2.gz HOZDQMDMFJUBPT-UHFFFAOYSA-N 2 1 343.519 3.309 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccn3)CCC2)[C@@H](C)C1 ZINC000353988398 456992388 /nfs/dbraw/zinc/99/23/88/456992388.db2.gz VJSDZCTWPWXPHK-OALUTQOASA-N 2 1 345.531 3.230 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)CC[C@H]2C)cc1)C(C)C ZINC000354005235 457001577 /nfs/dbraw/zinc/00/15/77/457001577.db2.gz FTWMNHZZZGVWKJ-QGZVFWFLSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)CC[C@H]2C)cc1)C(C)C ZINC000354005235 457001580 /nfs/dbraw/zinc/00/15/80/457001580.db2.gz FTWMNHZZZGVWKJ-QGZVFWFLSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1)C(C)C ZINC000354005235 457001581 /nfs/dbraw/zinc/00/15/81/457001581.db2.gz FTWMNHZZZGVWKJ-QGZVFWFLSA-N 2 1 331.504 3.083 20 0 EGADMP Cc1ccccc1C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358863493 457011263 /nfs/dbraw/zinc/01/12/63/457011263.db2.gz JKAMGNNPJGNUFL-RTBURBONSA-N 2 1 346.515 3.085 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2CCC(OC)CC2)[C@@H](C)C1 ZINC000349686857 457016736 /nfs/dbraw/zinc/01/67/36/457016736.db2.gz YBDVJOICEPBMRC-FVELJTHGSA-N 2 1 340.552 3.308 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1)c1ccccc1 ZINC000341991011 457045667 /nfs/dbraw/zinc/04/56/67/457045667.db2.gz ZEOAPWQBRYUBLG-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1)c1ccccc1 ZINC000341991011 457045673 /nfs/dbraw/zinc/04/56/73/457045673.db2.gz ZEOAPWQBRYUBLG-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000341991011 457045680 /nfs/dbraw/zinc/04/56/80/457045680.db2.gz ZEOAPWQBRYUBLG-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000341991011 457045685 /nfs/dbraw/zinc/04/56/85/457045685.db2.gz ZEOAPWQBRYUBLG-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(C)CCC(OC)CC2)[C@@H](C)C1 ZINC000359007335 457047282 /nfs/dbraw/zinc/04/72/82/457047282.db2.gz ZTBQBWNYLFRPPP-LHQJTOJGSA-N 2 1 340.552 3.308 20 0 EGADMP CC[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000339364368 457068533 /nfs/dbraw/zinc/06/85/33/457068533.db2.gz VXROXZCRTQRXSX-HXUWFJFHSA-N 2 1 345.531 3.135 20 0 EGADMP [NH3+]CCCOC1CC[NH+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000346646360 457088904 /nfs/dbraw/zinc/08/89/04/457088904.db2.gz ALTKFAWRBBBRMX-UHFFFAOYSA-N 2 1 331.485 3.140 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccccc1OCc1ccccn1 ZINC000346681959 457108824 /nfs/dbraw/zinc/10/88/24/457108824.db2.gz NTBKZMVSMCSRLS-IBGZPJMESA-N 2 1 327.472 3.466 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccccc1OCc1ccccn1 ZINC000346681959 457108825 /nfs/dbraw/zinc/10/88/25/457108825.db2.gz NTBKZMVSMCSRLS-IBGZPJMESA-N 2 1 327.472 3.466 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC000354389069 457193408 /nfs/dbraw/zinc/19/34/08/457193408.db2.gz WBZGKSXMSPTZOG-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP OCC1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000356901836 457208464 /nfs/dbraw/zinc/20/84/64/457208464.db2.gz PYJITEAZPIEGKJ-ZOBFTUDESA-N 2 1 328.500 3.038 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347062635 457211698 /nfs/dbraw/zinc/21/16/98/457211698.db2.gz ZZSJQLSJONHQLP-JXFKEZNVSA-N 2 1 340.515 3.416 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000347067342 457214204 /nfs/dbraw/zinc/21/42/04/457214204.db2.gz MLICNAWXOTYKFP-ZIAGYGMSSA-N 2 1 332.879 3.300 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000347067342 457214207 /nfs/dbraw/zinc/21/42/07/457214207.db2.gz MLICNAWXOTYKFP-ZIAGYGMSSA-N 2 1 332.879 3.300 20 0 EGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000331637819 457222843 /nfs/dbraw/zinc/22/28/43/457222843.db2.gz IDSCSQYFDSWRDE-MAUKXSAKSA-N 2 1 333.451 3.430 20 0 EGADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000331689692 457232177 /nfs/dbraw/zinc/23/21/77/457232177.db2.gz UKHMSYWADIXBEV-GDBMZVCRSA-N 2 1 333.501 3.450 20 0 EGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000331689692 457232185 /nfs/dbraw/zinc/23/21/85/457232185.db2.gz UKHMSYWADIXBEV-GDBMZVCRSA-N 2 1 333.501 3.450 20 0 EGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000355121373 457343137 /nfs/dbraw/zinc/34/31/37/457343137.db2.gz IFGDIEHYCLVWHS-PWRODBHTSA-N 2 1 346.515 3.072 20 0 EGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000355121373 457343143 /nfs/dbraw/zinc/34/31/43/457343143.db2.gz IFGDIEHYCLVWHS-PWRODBHTSA-N 2 1 346.515 3.072 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352488948 457408509 /nfs/dbraw/zinc/40/85/09/457408509.db2.gz WITFKWPOBFXRDA-UHFFFAOYSA-N 2 1 335.467 3.304 20 0 EGADMP [NH3+]CCC[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)CC1CCCC1 ZINC000352503509 457421515 /nfs/dbraw/zinc/42/15/15/457421515.db2.gz HFIOFYOSMNMEPF-UHFFFAOYSA-N 2 1 332.423 3.217 20 0 EGADMP [NH3+]CCC[N@H+](Cc1nc(-c2ccc(F)cc2)no1)CC1CCCC1 ZINC000352503509 457421524 /nfs/dbraw/zinc/42/15/24/457421524.db2.gz HFIOFYOSMNMEPF-UHFFFAOYSA-N 2 1 332.423 3.217 20 0 EGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000387657844 457431399 /nfs/dbraw/zinc/43/13/99/457431399.db2.gz MJCQUAZOHSGBSE-OALUTQOASA-N 2 1 345.531 3.039 20 0 EGADMP c1cncc(COc2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)c1 ZINC000352535017 457446152 /nfs/dbraw/zinc/44/61/52/457446152.db2.gz LHNRWGMZWFYRRP-NRFANRHFSA-N 2 1 337.467 3.236 20 0 EGADMP c1cncc(COc2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)c1 ZINC000352535017 457446155 /nfs/dbraw/zinc/44/61/55/457446155.db2.gz LHNRWGMZWFYRRP-NRFANRHFSA-N 2 1 337.467 3.236 20 0 EGADMP FC(F)(F)COc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352536002 457446320 /nfs/dbraw/zinc/44/63/20/457446320.db2.gz YHAUPNQQWAAZOV-MRXNPFEDSA-N 2 1 328.378 3.203 20 0 EGADMP FC(F)(F)COc1ccccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352536002 457446323 /nfs/dbraw/zinc/44/63/23/457446323.db2.gz YHAUPNQQWAAZOV-MRXNPFEDSA-N 2 1 328.378 3.203 20 0 EGADMP CCCOc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OCC ZINC000352535640 457446683 /nfs/dbraw/zinc/44/66/83/457446683.db2.gz TWDNRCGMZRXMLT-FQEVSTJZSA-N 2 1 332.488 3.450 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OCC ZINC000352535640 457446691 /nfs/dbraw/zinc/44/66/91/457446691.db2.gz TWDNRCGMZRXMLT-FQEVSTJZSA-N 2 1 332.488 3.450 20 0 EGADMP COC1CC[NH+](C2(C[NH2+][C@H](C)Cc3ccc(O)cc3)CCCC2)CC1 ZINC000352575332 457478367 /nfs/dbraw/zinc/47/83/67/457478367.db2.gz AKABKWQPFLQRDP-QGZVFWFLSA-N 2 1 346.515 3.336 20 0 EGADMP OC1(CC[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCC1 ZINC000396782468 457483038 /nfs/dbraw/zinc/48/30/38/457483038.db2.gz KDRHIAHDGYINQJ-UHFFFAOYSA-N 2 1 328.500 3.280 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000398041128 457494066 /nfs/dbraw/zinc/49/40/66/457494066.db2.gz RXWFALASUMRVCW-CRAIPNDOSA-N 2 1 332.879 3.037 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000352653293 457503054 /nfs/dbraw/zinc/50/30/54/457503054.db2.gz WFWVKCZISLTEEI-IAGOWNOFSA-N 2 1 345.487 3.008 20 0 EGADMP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374171194 457508336 /nfs/dbraw/zinc/50/83/36/457508336.db2.gz ISJNNJQUSYAOFU-OAHLLOKOSA-N 2 1 340.471 3.204 20 0 EGADMP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374171194 457508343 /nfs/dbraw/zinc/50/83/43/457508343.db2.gz ISJNNJQUSYAOFU-OAHLLOKOSA-N 2 1 340.471 3.204 20 0 EGADMP Cc1cccc(CC[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000399698969 457509836 /nfs/dbraw/zinc/50/98/36/457509836.db2.gz AYEHGAOTPDUMCQ-NHCUHLMSSA-N 2 1 335.495 3.386 20 0 EGADMP Cc1cccc(CC[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000399698969 457509845 /nfs/dbraw/zinc/50/98/45/457509845.db2.gz AYEHGAOTPDUMCQ-NHCUHLMSSA-N 2 1 335.495 3.386 20 0 EGADMP Cc1cccc(CC[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000399698969 457509851 /nfs/dbraw/zinc/50/98/51/457509851.db2.gz AYEHGAOTPDUMCQ-NHCUHLMSSA-N 2 1 335.495 3.386 20 0 EGADMP C[NH+](C)CCOC1CC[NH+](Cc2cscc2C(F)(F)F)CC1 ZINC000356216963 457542096 /nfs/dbraw/zinc/54/20/96/457542096.db2.gz DFUHIOZYBFNYCM-UHFFFAOYSA-N 2 1 336.423 3.310 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c2ccccc2C1 ZINC000361049061 457542193 /nfs/dbraw/zinc/54/21/93/457542193.db2.gz BEFXRICFOXZHSI-LAUBAEHRSA-N 2 1 343.515 3.334 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1OC(F)F ZINC000404419129 457544409 /nfs/dbraw/zinc/54/44/09/457544409.db2.gz HRFPIOYKTUXWSK-OCCSQVGLSA-N 2 1 328.403 3.246 20 0 EGADMP COC(=O)[C@@H](CC[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000425421986 457546271 /nfs/dbraw/zinc/54/62/71/457546271.db2.gz RZBYGHMWLIEMQY-MOPGFXCFSA-N 2 1 332.488 3.140 20 0 EGADMP COC(=O)[C@@H](CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000425421986 457546279 /nfs/dbraw/zinc/54/62/79/457546279.db2.gz RZBYGHMWLIEMQY-MOPGFXCFSA-N 2 1 332.488 3.140 20 0 EGADMP COC(=O)[C@@H](CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000425421986 457546285 /nfs/dbraw/zinc/54/62/85/457546285.db2.gz RZBYGHMWLIEMQY-MOPGFXCFSA-N 2 1 332.488 3.140 20 0 EGADMP COC(=O)[C@@H](CC[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000425421986 457546293 /nfs/dbraw/zinc/54/62/93/457546293.db2.gz RZBYGHMWLIEMQY-MOPGFXCFSA-N 2 1 332.488 3.140 20 0 EGADMP Cc1cccnc1CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000404970077 457550582 /nfs/dbraw/zinc/55/05/82/457550582.db2.gz KROHYBDPQUMFKI-RZUBCFFCSA-N 2 1 335.495 3.433 20 0 EGADMP Fc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1-c1cccs1 ZINC000352725368 457561635 /nfs/dbraw/zinc/56/16/35/457561635.db2.gz YNYZHLAJVREJIG-MRXNPFEDSA-N 2 1 345.487 3.034 20 0 EGADMP c1cn([C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)nn1 ZINC000425500742 457579007 /nfs/dbraw/zinc/57/90/07/457579007.db2.gz DOEUGLVGXQVAMA-FQEVSTJZSA-N 2 1 339.487 3.101 20 0 EGADMP CCO[C@H]1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1(CC)CC ZINC000352749271 457580690 /nfs/dbraw/zinc/58/06/90/457580690.db2.gz LUTDNLOQVVJIGF-GJZGRUSLSA-N 2 1 325.522 3.278 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)s1 ZINC000352754741 457584177 /nfs/dbraw/zinc/58/41/77/457584177.db2.gz JQCVUMAIFWYJQD-QGZVFWFLSA-N 2 1 347.528 3.097 20 0 EGADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)c2)CC1 ZINC000361183402 457633799 /nfs/dbraw/zinc/63/37/99/457633799.db2.gz UVVZMUNLVPBZJC-WIYYLYMNSA-N 3 1 329.532 3.348 20 0 EGADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCN(C)C[C@H]3C)c2)CC1 ZINC000361183402 457633802 /nfs/dbraw/zinc/63/38/02/457633802.db2.gz UVVZMUNLVPBZJC-WIYYLYMNSA-N 2 1 329.532 3.348 20 0 EGADMP CCOC(CN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)OCC ZINC000374518574 457646916 /nfs/dbraw/zinc/64/69/16/457646916.db2.gz HDHZSQAUJSQFAH-SFHVURJKSA-N 2 1 334.504 3.276 20 0 EGADMP Cc1ccc(CC[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000425928603 457653431 /nfs/dbraw/zinc/65/34/31/457653431.db2.gz SMLQRNMLYMODAU-JOCHJYFZSA-N 2 1 338.495 3.106 20 0 EGADMP Cc1ccc(CC[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000425928603 457653434 /nfs/dbraw/zinc/65/34/34/457653434.db2.gz SMLQRNMLYMODAU-JOCHJYFZSA-N 2 1 338.495 3.106 20 0 EGADMP Cc1ccc(CC[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000425928603 457653438 /nfs/dbraw/zinc/65/34/38/457653438.db2.gz SMLQRNMLYMODAU-JOCHJYFZSA-N 2 1 338.495 3.106 20 0 EGADMP Cc1ccc(CC[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000425928603 457653443 /nfs/dbraw/zinc/65/34/43/457653443.db2.gz SMLQRNMLYMODAU-JOCHJYFZSA-N 2 1 338.495 3.106 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(Cl)cc3)C2)[C@@H](C)C1 ZINC000370654286 457692272 /nfs/dbraw/zinc/69/22/72/457692272.db2.gz XXOLHRPQAZDCIZ-FCEWJHQRSA-N 2 1 335.923 3.486 20 0 EGADMP Fc1ccc(CC[NH+]2CCC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000370671386 457697136 /nfs/dbraw/zinc/69/71/36/457697136.db2.gz QSSVAPSOEYUCAY-NHCUHLMSSA-N 2 1 345.506 3.049 20 0 EGADMP Fc1ccc(CCN2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000370671386 457697139 /nfs/dbraw/zinc/69/71/39/457697139.db2.gz QSSVAPSOEYUCAY-NHCUHLMSSA-N 2 1 345.506 3.049 20 0 EGADMP Fc1ccc(CCN2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000370671386 457697142 /nfs/dbraw/zinc/69/71/42/457697142.db2.gz QSSVAPSOEYUCAY-NHCUHLMSSA-N 2 1 345.506 3.049 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000361346250 457701488 /nfs/dbraw/zinc/70/14/88/457701488.db2.gz NBWWMPIRTDVCFQ-QGZVFWFLSA-N 2 1 345.531 3.403 20 0 EGADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000357834587 457705309 /nfs/dbraw/zinc/70/53/09/457705309.db2.gz MBRIFZFGNLDZGO-WIYYLYMNSA-N 3 1 329.532 3.348 20 0 EGADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)C[C@H]2C)CC1 ZINC000357834587 457705313 /nfs/dbraw/zinc/70/53/13/457705313.db2.gz MBRIFZFGNLDZGO-WIYYLYMNSA-N 2 1 329.532 3.348 20 0 EGADMP CC[NH+](CC)CCC[NH+]1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC000365189664 457729476 /nfs/dbraw/zinc/72/94/76/457729476.db2.gz LGLRJXDLYHSZRU-FQEVSTJZSA-N 2 1 337.552 3.221 20 0 EGADMP Cc1cc(C[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)c(C)s1 ZINC000425956086 457747457 /nfs/dbraw/zinc/74/74/57/457747457.db2.gz VLUYFMRGJCILGZ-HXUWFJFHSA-N 2 1 344.524 3.434 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000358085700 457777721 /nfs/dbraw/zinc/77/77/21/457777721.db2.gz NUNRMYDDOSTYBM-HLIPFELVSA-N 3 1 332.536 3.460 20 0 EGADMP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO[C@H]1C1CC1 ZINC000375118994 457799139 /nfs/dbraw/zinc/79/91/39/457799139.db2.gz BEVSLBKBAMZMFP-SFTDATJTSA-N 2 1 328.500 3.446 20 0 EGADMP CCCc1csc(C[NH+]2CCC(OCC[NH+](CC)CC)CC2)n1 ZINC000426421212 457828143 /nfs/dbraw/zinc/82/81/43/457828143.db2.gz OXIRGMGGISNZOK-UHFFFAOYSA-N 2 1 339.549 3.418 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)c1 ZINC000444000156 457837382 /nfs/dbraw/zinc/83/73/82/457837382.db2.gz DFPCKMWSJQASCF-FGTMMUONSA-N 2 1 345.531 3.404 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000444000156 457837386 /nfs/dbraw/zinc/83/73/86/457837386.db2.gz DFPCKMWSJQASCF-FGTMMUONSA-N 2 1 345.531 3.404 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000444000156 457837392 /nfs/dbraw/zinc/83/73/92/457837392.db2.gz DFPCKMWSJQASCF-FGTMMUONSA-N 2 1 345.531 3.404 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411337885 457859571 /nfs/dbraw/zinc/85/95/71/457859571.db2.gz WBCBDYDVMPARAD-NRFANRHFSA-N 2 1 329.532 3.446 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411337885 457859575 /nfs/dbraw/zinc/85/95/75/457859575.db2.gz WBCBDYDVMPARAD-NRFANRHFSA-N 3 1 329.532 3.446 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411337885 457859580 /nfs/dbraw/zinc/85/95/80/457859580.db2.gz WBCBDYDVMPARAD-NRFANRHFSA-N 3 1 329.532 3.446 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411337885 457859587 /nfs/dbraw/zinc/85/95/87/457859587.db2.gz WBCBDYDVMPARAD-NRFANRHFSA-N 3 1 329.532 3.446 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411337885 457859591 /nfs/dbraw/zinc/85/95/91/457859591.db2.gz WBCBDYDVMPARAD-NRFANRHFSA-N 3 1 329.532 3.446 20 0 EGADMP Cc1ccc2ncc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cc2c1 ZINC000411403428 457876987 /nfs/dbraw/zinc/87/69/87/457876987.db2.gz WMQCQMZFVNMJOQ-HLAWJBBLSA-N 2 1 339.483 3.227 20 0 EGADMP Cc1ccc2ncc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cc2c1 ZINC000411403428 457876994 /nfs/dbraw/zinc/87/69/94/457876994.db2.gz WMQCQMZFVNMJOQ-HLAWJBBLSA-N 2 1 339.483 3.227 20 0 EGADMP CC(=O)N1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C(C)(C)C1 ZINC000411484596 457899003 /nfs/dbraw/zinc/89/90/03/457899003.db2.gz PLCSYWLFWYOZHV-UHFFFAOYSA-N 2 1 343.515 3.115 20 0 EGADMP CCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)s1 ZINC000358318598 457930342 /nfs/dbraw/zinc/93/03/42/457930342.db2.gz MNBKBDRPYWIKNW-RCBQFDQVSA-N 2 1 337.533 3.042 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1C ZINC000411621721 457931344 /nfs/dbraw/zinc/93/13/44/457931344.db2.gz REUTXWOJJSPDHE-APWZRJJASA-N 2 1 330.472 3.056 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1C ZINC000411621728 457932083 /nfs/dbraw/zinc/93/20/83/457932083.db2.gz REUTXWOJJSPDHE-VQIMIIECSA-N 2 1 330.472 3.056 20 0 EGADMP COc1cccc(-c2c[nH]c([C@H]3CCC[N@@H+]3CCn3ccnc3)n2)c1 ZINC000367270177 457939143 /nfs/dbraw/zinc/93/91/43/457939143.db2.gz JVFYKDVZGCYZEW-GOSISDBHSA-N 2 1 337.427 3.119 20 0 EGADMP COc1cccc(-c2c[nH]c([C@H]3CCC[N@H+]3CCn3ccnc3)n2)c1 ZINC000367270177 457939151 /nfs/dbraw/zinc/93/91/51/457939151.db2.gz JVFYKDVZGCYZEW-GOSISDBHSA-N 2 1 337.427 3.119 20 0 EGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427067022 457941016 /nfs/dbraw/zinc/94/10/16/457941016.db2.gz KPFQGDGLCFSTIF-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@@H]1C[NH+](CCC(C)CC[N@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000411674913 457946351 /nfs/dbraw/zinc/94/63/51/457946351.db2.gz NDWXPZKDTCPPPO-WOJBJXKFSA-N 2 1 340.552 3.405 20 0 EGADMP CO[C@@H]1CC[NH+](CC[C@@H](C)CC[N@@H+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000411689622 457951867 /nfs/dbraw/zinc/95/18/67/457951867.db2.gz DSXFTJYQHVCFDX-NCQGUEQISA-N 2 1 340.552 3.401 20 0 EGADMP CO[C@@H]1CC[N@@H+](CC[C@@H](C)CC[NH+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000411689622 457951872 /nfs/dbraw/zinc/95/18/72/457951872.db2.gz DSXFTJYQHVCFDX-NCQGUEQISA-N 2 1 340.552 3.401 20 0 EGADMP CO[C@@H]1CC[N@H+](CC[C@@H](C)CC[NH+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000411689622 457951876 /nfs/dbraw/zinc/95/18/76/457951876.db2.gz DSXFTJYQHVCFDX-NCQGUEQISA-N 2 1 340.552 3.401 20 0 EGADMP Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@H]2C)ccc1OCC[NH+](C)C ZINC000458211122 457971117 /nfs/dbraw/zinc/97/11/17/457971117.db2.gz MIPHUVUYHWLCMB-QGZVFWFLSA-N 2 1 347.503 3.138 20 0 EGADMP CC(C)COC[C@@H](O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000375801369 458070056 /nfs/dbraw/zinc/07/00/56/458070056.db2.gz JMTBVYMHYHUJNG-CBNMVNINSA-N 2 1 348.531 3.053 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH2+][C@@](C)(Cc1ccccc1)c1ccccc1)C1CC1 ZINC000412112494 458094892 /nfs/dbraw/zinc/09/48/92/458094892.db2.gz VRBWSWRNKOOILL-VXKWHMMOSA-N 2 1 338.495 3.189 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@](C)(Cc1ccccc1)c1ccccc1)C1CC1 ZINC000412112494 458094897 /nfs/dbraw/zinc/09/48/97/458094897.db2.gz VRBWSWRNKOOILL-VXKWHMMOSA-N 2 1 338.495 3.189 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000435370954 458122666 /nfs/dbraw/zinc/12/26/66/458122666.db2.gz KNDBFERUFSOWFR-GXTWGEPZSA-N 2 1 346.393 3.196 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@H]1[NH3+] ZINC000435373449 458124001 /nfs/dbraw/zinc/12/40/01/458124001.db2.gz NLHIIAKESLYMJJ-VQIMIIECSA-N 2 1 338.499 3.394 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@H]1[NH3+] ZINC000435373449 458124004 /nfs/dbraw/zinc/12/40/04/458124004.db2.gz NLHIIAKESLYMJJ-VQIMIIECSA-N 2 1 338.499 3.394 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000435373056 458125143 /nfs/dbraw/zinc/12/51/43/458125143.db2.gz LQIMJMPIDUSTSG-SJLPKXTDSA-N 2 1 340.515 3.398 20 0 EGADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n(C)n1 ZINC000362394593 458150500 /nfs/dbraw/zinc/15/05/00/458150500.db2.gz FKHJSIJFDGWDFC-UHFFFAOYSA-N 2 1 338.499 3.217 20 0 EGADMP CN(CC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435625412 458176363 /nfs/dbraw/zinc/17/63/63/458176363.db2.gz IAYHLHWPYRNYIH-OAQYLSRUSA-N 2 1 338.499 3.162 20 0 EGADMP CN(CC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435625412 458176366 /nfs/dbraw/zinc/17/63/66/458176366.db2.gz IAYHLHWPYRNYIH-OAQYLSRUSA-N 2 1 338.499 3.162 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)[C@@H]1C ZINC000435726762 458191268 /nfs/dbraw/zinc/19/12/68/458191268.db2.gz RUMWWKSPCISDTC-JFRXWTBNSA-N 2 1 336.520 3.351 20 0 EGADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000435877043 458216232 /nfs/dbraw/zinc/21/62/32/458216232.db2.gz MVCSQNWXWYJINM-CQSZACIVSA-N 2 1 334.851 3.179 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C ZINC000429062315 458267307 /nfs/dbraw/zinc/26/73/07/458267307.db2.gz QBJGVNWHGMTCGC-WMLDXEAASA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C ZINC000429062315 458267313 /nfs/dbraw/zinc/26/73/13/458267313.db2.gz QBJGVNWHGMTCGC-WMLDXEAASA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C ZINC000429062315 458267321 /nfs/dbraw/zinc/26/73/21/458267321.db2.gz QBJGVNWHGMTCGC-WMLDXEAASA-N 2 1 337.895 3.473 20 0 EGADMP CC(C)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCC(C)CC1 ZINC000459369649 458346402 /nfs/dbraw/zinc/34/64/02/458346402.db2.gz QPZIXAIIVWIYBV-NRFANRHFSA-N 3 1 344.547 3.397 20 0 EGADMP CCN1CC[NH+](CCCC[NH2+]Cc2c(F)cc(C)cc2Cl)CC1 ZINC000459381898 458352611 /nfs/dbraw/zinc/35/26/11/458352611.db2.gz VSZGVWOWGYCZBT-UHFFFAOYSA-N 2 1 341.902 3.295 20 0 EGADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000373022382 458378620 /nfs/dbraw/zinc/37/86/20/458378620.db2.gz UFCKJTOTEXVCME-FQEVSTJZSA-N 2 1 343.515 3.162 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000459474497 458385063 /nfs/dbraw/zinc/38/50/63/458385063.db2.gz XYMODZIHPRPSHV-JOCHJYFZSA-N 2 1 336.479 3.420 20 0 EGADMP CC[NH+](CC)CCSC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000430100585 458401230 /nfs/dbraw/zinc/40/12/30/458401230.db2.gz VMAMPSRYBBYQBG-LJQANCHMSA-N 2 1 336.545 3.353 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](CSC)C2)CC1 ZINC000430194962 458418584 /nfs/dbraw/zinc/41/85/84/458418584.db2.gz LSSPSTKJKJZOSO-GOSISDBHSA-N 2 1 347.572 3.404 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C3)cc1 ZINC000423452913 458435598 /nfs/dbraw/zinc/43/55/98/458435598.db2.gz ZNANNHGJYUHPNJ-LILSUDLASA-N 2 1 339.527 3.160 20 0 EGADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C3)cc1 ZINC000423452913 458435601 /nfs/dbraw/zinc/43/56/01/458435601.db2.gz ZNANNHGJYUHPNJ-LILSUDLASA-N 2 1 339.527 3.160 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccncc1F ZINC000423466693 458437280 /nfs/dbraw/zinc/43/72/80/458437280.db2.gz ITXURISZVJGRKX-QIIPPGSGSA-N 2 1 331.410 3.404 20 0 EGADMP Fc1ccccc1C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000423486762 458440872 /nfs/dbraw/zinc/44/08/72/458440872.db2.gz CDYVQBWNBCZUOX-AZUAARDMSA-N 2 1 328.431 3.078 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(SCC(F)F)cc1 ZINC000423502575 458444736 /nfs/dbraw/zinc/44/47/36/458444736.db2.gz FBXPCTNCXDAPIC-OCCSQVGLSA-N 2 1 330.444 3.073 20 0 EGADMP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423517217 458449326 /nfs/dbraw/zinc/44/93/26/458449326.db2.gz BHEKGQQYRRVVAC-HNNXBMFYSA-N 2 1 327.241 3.307 20 0 EGADMP COc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc(Cl)c1OC ZINC000459730002 458460388 /nfs/dbraw/zinc/46/03/88/458460388.db2.gz JQJMLLFNVJICOX-CYBMUJFWSA-N 2 1 326.868 3.179 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000430581464 458466552 /nfs/dbraw/zinc/46/65/52/458466552.db2.gz ONVNHEYTPQNKFP-QWHCGFSZSA-N 2 1 343.393 3.093 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000430581462 458466663 /nfs/dbraw/zinc/46/66/63/458466663.db2.gz ONVNHEYTPQNKFP-OLZOCXBDSA-N 2 1 343.393 3.093 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000437843707 458501702 /nfs/dbraw/zinc/50/17/02/458501702.db2.gz RJANHCJPUAIVBK-HXUWFJFHSA-N 2 1 343.515 3.275 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC000430928767 458506375 /nfs/dbraw/zinc/50/63/75/458506375.db2.gz MHMNJFHIGULRKN-KRWDZBQOSA-N 2 1 326.440 3.399 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC000430928767 458506380 /nfs/dbraw/zinc/50/63/80/458506380.db2.gz MHMNJFHIGULRKN-KRWDZBQOSA-N 2 1 326.440 3.399 20 0 EGADMP C[NH2+]CC1CC[NH+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000430925687 458506822 /nfs/dbraw/zinc/50/68/22/458506822.db2.gz LZHBXIZYOKQGNZ-ZDUSSCGKSA-N 2 1 348.878 3.306 20 0 EGADMP COc1ccc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000377763306 458516374 /nfs/dbraw/zinc/51/63/74/458516374.db2.gz OZJKEQKSAPBVAF-RTBURBONSA-N 2 1 337.467 3.044 20 0 EGADMP Cc1cc(N2CCC[N@H+]([C@@H](C)CO)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000468744344 458532979 /nfs/dbraw/zinc/53/29/79/458532979.db2.gz QPJHGHPHHVAWGT-HNNXBMFYSA-N 2 1 347.890 3.398 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OC[C@H]2CCCO2)[C@H](C)C1 ZINC000469169985 458558467 /nfs/dbraw/zinc/55/84/67/458558467.db2.gz SFXFBQCBWNIQKV-RLLQIKCJSA-N 2 1 346.515 3.373 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OC[C@H]2CCCO2)[C@H](C)C1 ZINC000469169985 458558469 /nfs/dbraw/zinc/55/84/69/458558469.db2.gz SFXFBQCBWNIQKV-RLLQIKCJSA-N 2 1 346.515 3.373 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[C@H]1C ZINC000424149867 458571851 /nfs/dbraw/zinc/57/18/51/458571851.db2.gz XSCDFAMRDCTBOC-QRQLOZEOSA-N 2 1 337.552 3.396 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000431551262 458587913 /nfs/dbraw/zinc/58/79/13/458587913.db2.gz AWFJCSDBVLEYOM-QZTJIDSGSA-N 2 1 348.535 3.413 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1CCOc1ccc(F)cc1Cl)CC[NH2+]CC2 ZINC000424284207 458604349 /nfs/dbraw/zinc/60/43/49/458604349.db2.gz DCDAUVNMSKIUOL-CYBMUJFWSA-N 2 1 326.843 3.322 20 0 EGADMP C[C@H]1CC2(C[N@H+]1CCC(=O)Nc1ccccc1Cl)CC[NH2+]CC2 ZINC000424290508 458605552 /nfs/dbraw/zinc/60/55/52/458605552.db2.gz MSKDCMGMLRWJFZ-AWEZNQCLSA-N 2 1 335.879 3.133 20 0 EGADMP C[C@H]1CC2(C[N@H+]1CCC(=O)Nc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000424295172 458607565 /nfs/dbraw/zinc/60/75/65/458607565.db2.gz QVDWCWQVFNETGW-AWEZNQCLSA-N 2 1 335.879 3.133 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(OC(F)F)c(F)c1)CC[NH2+]CC2 ZINC000424369854 458625923 /nfs/dbraw/zinc/62/59/23/458625923.db2.gz BQVGCGOTCUPEMI-LBPRGKRZSA-N 2 1 328.378 3.391 20 0 EGADMP C[C@H](Cn1cccn1)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000470261662 458626669 /nfs/dbraw/zinc/62/66/69/458626669.db2.gz UBBLVEWCVYNKRO-WSTZPKSXSA-N 2 1 326.488 3.162 20 0 EGADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1Br ZINC000424371373 458628128 /nfs/dbraw/zinc/62/81/28/458628128.db2.gz FZTBTHATUVUHBU-LERXQTSPSA-N 2 1 327.266 3.378 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000438987738 458637763 /nfs/dbraw/zinc/63/77/63/458637763.db2.gz VCBHEAHOKVCZPB-JLJPHGGASA-N 2 1 333.476 3.177 20 0 EGADMP CC[C@H](C[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C)[NH+]1CCCC1 ZINC000502256808 458642274 /nfs/dbraw/zinc/64/22/74/458642274.db2.gz ZSQXVQNYTZMBPI-SJLPKXTDSA-N 2 1 334.504 3.407 20 0 EGADMP CC(C)C1CCC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000462725686 458648424 /nfs/dbraw/zinc/64/84/24/458648424.db2.gz CTSJOHWCRVUTSP-CBNMVNINSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)C1CCC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000462725686 458648429 /nfs/dbraw/zinc/64/84/29/458648429.db2.gz CTSJOHWCRVUTSP-CBNMVNINSA-N 2 1 330.516 3.428 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)[C@@H]2CCC[C@H]21 ZINC000462810504 458657261 /nfs/dbraw/zinc/65/72/61/458657261.db2.gz CVWPBIOHVFFTAM-PBWTXFEYSA-N 2 1 331.479 3.114 20 0 EGADMP C[N@H+](CCc1cccc(Br)c1)CC[C@H]1CCC[NH+]1C ZINC000463423828 458697598 /nfs/dbraw/zinc/69/75/98/458697598.db2.gz LTTKNPGWPALRPJ-MRXNPFEDSA-N 2 1 325.294 3.408 20 0 EGADMP C[NH+](CCc1cccc(Br)c1)CC[C@H]1CCC[N@@H+]1C ZINC000463423828 458697605 /nfs/dbraw/zinc/69/76/05/458697605.db2.gz LTTKNPGWPALRPJ-MRXNPFEDSA-N 2 1 325.294 3.408 20 0 EGADMP C[NH+](CCc1cccc(Br)c1)CC[C@H]1CCC[N@H+]1C ZINC000463423828 458697610 /nfs/dbraw/zinc/69/76/10/458697610.db2.gz LTTKNPGWPALRPJ-MRXNPFEDSA-N 2 1 325.294 3.408 20 0 EGADMP CC(C)[C@H](COCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432417295 458735956 /nfs/dbraw/zinc/73/59/56/458735956.db2.gz LLGNGEFSDIPDSO-FPOVZHCZSA-N 2 1 348.531 3.318 20 0 EGADMP CC(C)[C@H](COCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432417295 458735961 /nfs/dbraw/zinc/73/59/61/458735961.db2.gz LLGNGEFSDIPDSO-FPOVZHCZSA-N 2 1 348.531 3.318 20 0 EGADMP C[C@H]([NH2+][C@@H](CO)C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547503490 458751705 /nfs/dbraw/zinc/75/17/05/458751705.db2.gz KYQBYUAZMFAOSG-YYWHXJBOSA-N 2 1 330.516 3.428 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000472265563 458779384 /nfs/dbraw/zinc/77/93/84/458779384.db2.gz SIMOCRGVZKBKHT-MRXNPFEDSA-N 2 1 340.895 3.152 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)C1CCCCC1 ZINC000547733458 458781919 /nfs/dbraw/zinc/78/19/19/458781919.db2.gz ZULGSCUMYCHEPJ-LJQANCHMSA-N 2 1 335.536 3.118 20 0 EGADMP COc1cccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000530939923 458848930 /nfs/dbraw/zinc/84/89/30/458848930.db2.gz KBFFUXOOBIPJJD-HDICACEKSA-N 2 1 346.515 3.407 20 0 EGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@@H]2C)C1 ZINC000474710062 458897960 /nfs/dbraw/zinc/89/79/60/458897960.db2.gz OYDQWZZNXQNIPQ-BSDSXHPESA-N 2 1 338.536 3.454 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@@H]2C)C1 ZINC000474710062 458897962 /nfs/dbraw/zinc/89/79/62/458897962.db2.gz OYDQWZZNXQNIPQ-BSDSXHPESA-N 2 1 338.536 3.454 20 0 EGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000531384531 458909873 /nfs/dbraw/zinc/90/98/73/458909873.db2.gz DFFFACFLTOMCFU-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000531384531 458909880 /nfs/dbraw/zinc/90/98/80/458909880.db2.gz DFFFACFLTOMCFU-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000531384531 458909887 /nfs/dbraw/zinc/90/98/87/458909887.db2.gz DFFFACFLTOMCFU-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441397234 458936435 /nfs/dbraw/zinc/93/64/35/458936435.db2.gz TUIDJGZMBVXJPH-QKLQHJQFSA-N 2 1 341.499 3.271 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000519387590 458942774 /nfs/dbraw/zinc/94/27/74/458942774.db2.gz MQQBYLDIQZOARC-DYESRHJHSA-N 2 1 326.484 3.065 20 0 EGADMP COC[C@@H]1CCCC[NH+](C[C@@H](C)C[N@@H+]2CCCC[C@H](COC)C2)C1 ZINC000467123376 458952039 /nfs/dbraw/zinc/95/20/39/458952039.db2.gz YBEIAHJVTAGLQH-OWZKRDHZSA-N 2 1 340.552 3.120 20 0 EGADMP COC[C@@H]1CCCC[N@@H+](C[C@@H](C)C[NH+]2CCCC[C@H](COC)C2)C1 ZINC000467123376 458952046 /nfs/dbraw/zinc/95/20/46/458952046.db2.gz YBEIAHJVTAGLQH-OWZKRDHZSA-N 2 1 340.552 3.120 20 0 EGADMP COC[C@@H]1CCCC[N@H+](C[C@@H](C)C[NH+]2CCCC[C@H](COC)C2)C1 ZINC000467123376 458952050 /nfs/dbraw/zinc/95/20/50/458952050.db2.gz YBEIAHJVTAGLQH-OWZKRDHZSA-N 2 1 340.552 3.120 20 0 EGADMP FC(F)(F)c1cccc(OCCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000576943739 458952342 /nfs/dbraw/zinc/95/23/42/458952342.db2.gz VCHQMKLPYFELRC-ZIAGYGMSSA-N 2 1 328.378 3.016 20 0 EGADMP Cc1ccccc1C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CC1 ZINC000556586341 458974528 /nfs/dbraw/zinc/97/45/28/458974528.db2.gz SDYSTWBUZDJRNR-JOCHJYFZSA-N 2 1 343.559 3.179 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)[C@@H](C)C1 ZINC000495908370 459001471 /nfs/dbraw/zinc/00/14/71/459001471.db2.gz BEABWWPCOLXSAT-NXOAAHMSSA-N 2 1 339.524 3.094 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C)cc2C)[C@@H](C)C1 ZINC000531953946 459006142 /nfs/dbraw/zinc/00/61/42/459006142.db2.gz KZFNFYRSWSFJCW-PMACEKPBSA-N 2 1 348.531 3.409 20 0 EGADMP CCCCCNC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476980502 459025033 /nfs/dbraw/zinc/02/50/33/459025033.db2.gz GRQWPSSGEQEPIH-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccccc23)[C@@H](C)C1 ZINC000532188416 459043973 /nfs/dbraw/zinc/04/39/73/459043973.db2.gz IBJZYJLXFTWBGV-PXNSSMCTSA-N 2 1 343.515 3.437 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CC1(C)C ZINC000442878704 459050671 /nfs/dbraw/zinc/05/06/71/459050671.db2.gz ULUJKNJPUXRQQT-UXHICEINSA-N 2 1 329.532 3.328 20 0 EGADMP COc1sc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1Br ZINC000442929075 459063460 /nfs/dbraw/zinc/06/34/60/459063460.db2.gz QUUTWADQTIXEEW-SNVBAGLBSA-N 2 1 333.295 3.080 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442929573 459063582 /nfs/dbraw/zinc/06/35/82/459063582.db2.gz RVENLSJLCRNYTH-OAHLLOKOSA-N 2 1 348.441 3.328 20 0 EGADMP CC(C)(CN[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000477917618 459066625 /nfs/dbraw/zinc/06/66/25/459066625.db2.gz NTZMPYWOFJXNFD-HXUWFJFHSA-N 2 1 329.532 3.363 20 0 EGADMP CC(C)(CN[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000477917618 459066629 /nfs/dbraw/zinc/06/66/29/459066629.db2.gz NTZMPYWOFJXNFD-HXUWFJFHSA-N 2 1 329.532 3.363 20 0 EGADMP Clc1ccc(-c2ccc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)o2)cc1 ZINC000567235045 459071204 /nfs/dbraw/zinc/07/12/04/459071204.db2.gz YGUYFJWCHKHIAP-KRWDZBQOSA-N 2 1 345.874 3.080 20 0 EGADMP CC(C)(C)[C@@H](NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1cccs1 ZINC000443057670 459078678 /nfs/dbraw/zinc/07/86/78/459078678.db2.gz HRISJFMVMZFHCF-PBHICJAKSA-N 2 1 337.533 3.012 20 0 EGADMP CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443058146 459078775 /nfs/dbraw/zinc/07/87/75/459078775.db2.gz JLTGIHARASODCY-MJGOQNOKSA-N 2 1 345.531 3.123 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443056812 459079772 /nfs/dbraw/zinc/07/97/72/459079772.db2.gz DEKWPYLKXKQUIY-HOTGVXAUSA-N 2 1 325.456 3.228 20 0 EGADMP COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cs1 ZINC000443063555 459080845 /nfs/dbraw/zinc/08/08/45/459080845.db2.gz WVNIUFBODWDFGV-AWEZNQCLSA-N 2 1 331.485 3.380 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000557535163 459082265 /nfs/dbraw/zinc/08/22/65/459082265.db2.gz SDLBNTFORCTMPI-GOSISDBHSA-N 2 1 345.531 3.033 20 0 EGADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567605785 459131969 /nfs/dbraw/zinc/13/19/69/459131969.db2.gz FLNMDWMKOUGVPN-CBQOVEMMSA-N 2 1 338.495 3.263 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cn2)C1 ZINC000567662649 459140857 /nfs/dbraw/zinc/14/08/57/459140857.db2.gz IMIGKNUFMGDZGR-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cn2)C1 ZINC000567662649 459140861 /nfs/dbraw/zinc/14/08/61/459140861.db2.gz IMIGKNUFMGDZGR-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccccc2F)[C@@H](C)C1 ZINC000479518294 459145061 /nfs/dbraw/zinc/14/50/61/459145061.db2.gz QJVMAFMZBZOYKQ-PXNSSMCTSA-N 2 1 336.495 3.485 20 0 EGADMP CCC[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000567730135 459155882 /nfs/dbraw/zinc/15/58/82/459155882.db2.gz RCSLJUHCDLZJKU-FGTMMUONSA-N 2 1 345.531 3.169 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000558501304 459168299 /nfs/dbraw/zinc/16/82/99/459168299.db2.gz KZFYDCKXVGKSEQ-GGPKGHCWSA-N 2 1 332.536 3.002 20 0 EGADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000558501304 459168302 /nfs/dbraw/zinc/16/83/02/459168302.db2.gz KZFYDCKXVGKSEQ-GGPKGHCWSA-N 2 1 332.536 3.002 20 0 EGADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000558501304 459168305 /nfs/dbraw/zinc/16/83/05/459168305.db2.gz KZFYDCKXVGKSEQ-GGPKGHCWSA-N 2 1 332.536 3.002 20 0 EGADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000521643255 459169357 /nfs/dbraw/zinc/16/93/57/459169357.db2.gz AVPWJHGWSHJSLE-SXLOBPIMSA-N 2 1 330.516 3.395 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000479947203 459173645 /nfs/dbraw/zinc/17/36/45/459173645.db2.gz HRGFEPRDXKBFQI-QGZVFWFLSA-N 2 1 332.488 3.463 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000479947203 459173649 /nfs/dbraw/zinc/17/36/49/459173649.db2.gz HRGFEPRDXKBFQI-QGZVFWFLSA-N 2 1 332.488 3.463 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(N2CCOC2=O)c1 ZINC000496402046 459181635 /nfs/dbraw/zinc/18/16/35/459181635.db2.gz ZXCHFNHKYDZZJU-HNNXBMFYSA-N 2 1 331.460 3.168 20 0 EGADMP COCCOCc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000567963538 459199067 /nfs/dbraw/zinc/19/90/67/459199067.db2.gz AFHVORUMVRVWIP-UHFFFAOYSA-N 2 1 348.531 3.402 20 0 EGADMP C[C@@H](NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000480625092 459209288 /nfs/dbraw/zinc/20/92/88/459209288.db2.gz MOHCHGOESDQMMW-CEXWTWQISA-N 2 1 347.547 3.398 20 0 EGADMP C[C@@H](NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000480625092 459209291 /nfs/dbraw/zinc/20/92/91/459209291.db2.gz MOHCHGOESDQMMW-CEXWTWQISA-N 2 1 347.547 3.398 20 0 EGADMP COc1cc2c(cc1C[N@H+]1CC[C@@H](C3CC[NH+](C)CC3)C1)O[C@H](C)C2 ZINC000568140262 459231199 /nfs/dbraw/zinc/23/11/99/459231199.db2.gz CHMYEIQUSNDZMV-NVXWUHKLSA-N 2 1 344.499 3.182 20 0 EGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+](C)CCC[NH3+])c1 ZINC000578626331 459232182 /nfs/dbraw/zinc/23/21/82/459232182.db2.gz JWZXKESXVZYUOP-UHFFFAOYSA-N 2 1 330.476 3.094 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000481420999 459253832 /nfs/dbraw/zinc/25/38/32/459253832.db2.gz ZPCKBFDEMPFGFK-IAQYHMDHSA-N 2 1 329.257 3.061 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000481726486 459271192 /nfs/dbraw/zinc/27/11/92/459271192.db2.gz MYYRUACHGMNEAQ-GHTZIAJQSA-N 3 1 329.532 3.492 20 0 EGADMP C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000481726486 459271199 /nfs/dbraw/zinc/27/11/99/459271199.db2.gz MYYRUACHGMNEAQ-GHTZIAJQSA-N 2 1 329.532 3.492 20 0 EGADMP CC[C@H](C[N@@H+](CC)CC(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000481736150 459272397 /nfs/dbraw/zinc/27/23/97/459272397.db2.gz MUIZCNCFTLDNEU-GOSISDBHSA-N 2 1 345.531 3.103 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)N1CCCCCC1 ZINC000482155439 459294900 /nfs/dbraw/zinc/29/49/00/459294900.db2.gz ZHNQEDVQNICLFV-FHWLQOOXSA-N 2 1 337.552 3.268 20 0 EGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000568499919 459297886 /nfs/dbraw/zinc/29/78/86/459297886.db2.gz ZHKLFJWJUXJVCL-RBUKOAKNSA-N 2 1 325.456 3.410 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000482348617 459304494 /nfs/dbraw/zinc/30/44/94/459304494.db2.gz FZHAMYAWFRVFQK-FQEVSTJZSA-N 2 1 329.532 3.272 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000524156158 459349433 /nfs/dbraw/zinc/34/94/33/459349433.db2.gz NZJNFCVWWDLQMP-UHFFFAOYSA-N 2 1 343.515 3.166 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000524156158 459349437 /nfs/dbraw/zinc/34/94/37/459349437.db2.gz NZJNFCVWWDLQMP-UHFFFAOYSA-N 2 1 343.515 3.166 20 0 EGADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000496957069 459384987 /nfs/dbraw/zinc/38/49/87/459384987.db2.gz PYLIFZWILXSOJM-YYIAUSFCSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)Oc1cccc(Br)c1 ZINC000483817232 459394659 /nfs/dbraw/zinc/39/46/59/459394659.db2.gz KGWBGGLSWJHZBS-IOASZLSFSA-N 2 1 341.293 3.146 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)CCc3ccccc3)C2)CC1 ZINC000525173132 459424016 /nfs/dbraw/zinc/42/40/16/459424016.db2.gz GYKCCVKFNKIKJU-PZJWPPBQSA-N 2 1 329.532 3.108 20 0 EGADMP COc1c(Br)cccc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000569273167 459425397 /nfs/dbraw/zinc/42/53/97/459425397.db2.gz RZEDUDJEBBLCAS-CYBMUJFWSA-N 2 1 341.293 3.278 20 0 EGADMP COc1c(Br)cccc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000569273167 459425400 /nfs/dbraw/zinc/42/54/00/459425400.db2.gz RZEDUDJEBBLCAS-CYBMUJFWSA-N 2 1 341.293 3.278 20 0 EGADMP CCCCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000484725413 459428392 /nfs/dbraw/zinc/42/83/92/459428392.db2.gz CXWZHCIEIAGAET-VAMGGRTRSA-N 2 1 332.488 3.112 20 0 EGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000561291846 459440416 /nfs/dbraw/zinc/44/04/16/459440416.db2.gz HENQTXVFYQJHRX-KCZVDYSFSA-N 2 1 343.559 3.213 20 0 EGADMP Cc1[nH+]cc(CNc2cc(C[NH+]3CCSCC3)ccc2C)n1C ZINC000569500753 459463199 /nfs/dbraw/zinc/46/31/99/459463199.db2.gz APWQIZNFNHQCKG-UHFFFAOYSA-N 2 1 330.501 3.198 20 0 EGADMP Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2cc[nH+]c3ccccc23)cc1 ZINC000486453761 459502392 /nfs/dbraw/zinc/50/23/92/459502392.db2.gz WGBUQCXETLWMBU-QFIPXVFZSA-N 2 1 347.462 3.451 20 0 EGADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](CC2CCOCC2)CC1 ZINC000498907137 459610551 /nfs/dbraw/zinc/61/05/51/459610551.db2.gz ZVOONDHDBICWMD-UHFFFAOYSA-N 2 1 345.874 3.437 20 0 EGADMP CCc1cc(NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)nc(C)[nH+]1 ZINC000542949412 459613139 /nfs/dbraw/zinc/61/31/39/459613139.db2.gz XCZKJAVIHOAXIW-IBGZPJMESA-N 2 1 340.471 3.027 20 0 EGADMP C[N@@H+](CCC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C1CCCCC1 ZINC000573434506 459676518 /nfs/dbraw/zinc/67/65/18/459676518.db2.gz BTAVSKLVDUTKAG-GOSISDBHSA-N 2 1 347.503 3.187 20 0 EGADMP Cc1cccc(C(NC[C@@H](O)C[N@H+](C)C2CC2)c2cccc(C)c2)c1 ZINC000562992113 459688689 /nfs/dbraw/zinc/68/86/89/459688689.db2.gz SCYQNBHYTJQVQE-OAQYLSRUSA-N 2 1 338.495 3.438 20 0 EGADMP CC(C)(C)[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1cccs1 ZINC000563152566 459725352 /nfs/dbraw/zinc/72/53/52/459725352.db2.gz NVGGNWKVPXECCZ-YRBFXIGRSA-N 2 1 349.544 3.011 20 0 EGADMP CC(C)(C)[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1cccs1 ZINC000563152566 459725359 /nfs/dbraw/zinc/72/53/59/459725359.db2.gz NVGGNWKVPXECCZ-YRBFXIGRSA-N 2 1 349.544 3.011 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC3Cc4ccccc4C3)CC2)C[C@H](C)O1 ZINC000573769366 459730264 /nfs/dbraw/zinc/73/02/64/459730264.db2.gz QPISAOCNHBBAQO-HDICACEKSA-N 2 1 342.527 3.223 20 0 EGADMP C[C@H](c1nc(-c2cccs2)no1)N1CC[C@@H](c2nccn2C)C1 ZINC000573931385 459759781 /nfs/dbraw/zinc/75/97/81/459759781.db2.gz TZJROSURCQDGAQ-VXGBXAGGSA-N 2 1 329.429 3.082 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)[C@H]1c1cccs1 ZINC000566116968 459808833 /nfs/dbraw/zinc/80/88/33/459808833.db2.gz RKJYTYMFLUQIRP-BZPMIXESSA-N 2 1 336.423 3.034 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)[C@H]1c1cccs1 ZINC000566116968 459808834 /nfs/dbraw/zinc/80/88/34/459808834.db2.gz RKJYTYMFLUQIRP-BZPMIXESSA-N 2 1 336.423 3.034 20 0 EGADMP Cc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)n1 ZINC000585749083 459840515 /nfs/dbraw/zinc/84/05/15/459840515.db2.gz SHCDXNYDXRTXMJ-GOSISDBHSA-N 2 1 333.439 3.350 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccccc3-c3ccccc3)C[C@H]21 ZINC000575059753 459918583 /nfs/dbraw/zinc/91/85/83/459918583.db2.gz IVMQCDVILOTIDL-DFQSSKMNSA-N 2 1 349.478 3.351 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3-c3ccccc3)C[C@H]21 ZINC000575059753 459918591 /nfs/dbraw/zinc/91/85/91/459918591.db2.gz IVMQCDVILOTIDL-DFQSSKMNSA-N 2 1 349.478 3.351 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000575219143 459951879 /nfs/dbraw/zinc/95/18/79/459951879.db2.gz WHTCBVBYIPIUKJ-NSISKUIASA-N 2 1 332.488 3.016 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000575219143 459951885 /nfs/dbraw/zinc/95/18/85/459951885.db2.gz WHTCBVBYIPIUKJ-NSISKUIASA-N 2 1 332.488 3.016 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000575219143 459951892 /nfs/dbraw/zinc/95/18/92/459951892.db2.gz WHTCBVBYIPIUKJ-NSISKUIASA-N 2 1 332.488 3.016 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000575219143 459951898 /nfs/dbraw/zinc/95/18/98/459951898.db2.gz WHTCBVBYIPIUKJ-NSISKUIASA-N 2 1 332.488 3.016 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCCc3cccc(Cl)c3)C2)CC1 ZINC000598588139 459953855 /nfs/dbraw/zinc/95/38/55/459953855.db2.gz HUWKBSGGTIPANF-HXUWFJFHSA-N 2 1 349.950 3.375 20 0 EGADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(OC)cc1 ZINC000588689929 459971077 /nfs/dbraw/zinc/97/10/77/459971077.db2.gz STHKATZFOXMSQH-CTNGQTDRSA-N 2 1 342.483 3.229 20 0 EGADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(OC)cc1 ZINC000588689929 459971081 /nfs/dbraw/zinc/97/10/81/459971081.db2.gz STHKATZFOXMSQH-CTNGQTDRSA-N 2 1 342.483 3.229 20 0 EGADMP CSC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602550598 459993751 /nfs/dbraw/zinc/99/37/51/459993751.db2.gz JZYHNFADCYPRIK-YTQUADARSA-N 2 1 334.529 3.058 20 0 EGADMP CSC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602550598 459993753 /nfs/dbraw/zinc/99/37/53/459993753.db2.gz JZYHNFADCYPRIK-YTQUADARSA-N 2 1 334.529 3.058 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)c2ccccc21 ZINC000621748509 460046530 /nfs/dbraw/zinc/04/65/30/460046530.db2.gz HRSCSKGOPVZGKD-VQIMIIECSA-N 2 1 329.488 3.338 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)c2ccccc21 ZINC000621748509 460046537 /nfs/dbraw/zinc/04/65/37/460046537.db2.gz HRSCSKGOPVZGKD-VQIMIIECSA-N 2 1 329.488 3.338 20 0 EGADMP C[C@@H](NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000625320070 460125280 /nfs/dbraw/zinc/12/52/80/460125280.db2.gz UYOPORWZIGBLDX-LMMKCTJWSA-N 2 1 343.515 3.106 20 0 EGADMP C[C@@H](NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000625320070 460125287 /nfs/dbraw/zinc/12/52/87/460125287.db2.gz UYOPORWZIGBLDX-LMMKCTJWSA-N 2 1 343.515 3.106 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)CCC2 ZINC000599071661 460151136 /nfs/dbraw/zinc/15/11/36/460151136.db2.gz SBGWTPDHROINOT-CVEARBPZSA-N 2 1 348.487 3.464 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)CCC2 ZINC000599071661 460151142 /nfs/dbraw/zinc/15/11/42/460151142.db2.gz SBGWTPDHROINOT-CVEARBPZSA-N 2 1 348.487 3.464 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)CCC2 ZINC000599071661 460151145 /nfs/dbraw/zinc/15/11/45/460151145.db2.gz SBGWTPDHROINOT-CVEARBPZSA-N 2 1 348.487 3.464 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1 ZINC000615310346 460307625 /nfs/dbraw/zinc/30/76/25/460307625.db2.gz VWNTXUSDKMSTLZ-QFBILLFUSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000615603814 460355384 /nfs/dbraw/zinc/35/53/84/460355384.db2.gz PNSGVNRZDSVRPW-NRFANRHFSA-N 2 1 343.515 3.086 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(C(=O)NC)c1 ZINC000626062167 460358428 /nfs/dbraw/zinc/35/84/28/460358428.db2.gz JYGKFAVXPCXFNB-UHFFFAOYSA-N 2 1 339.483 3.130 20 0 EGADMP COc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1OCCC(C)C ZINC000623086490 460407109 /nfs/dbraw/zinc/40/71/09/460407109.db2.gz UUXIEYTYYMPPOX-UHFFFAOYSA-N 2 1 331.460 3.186 20 0 EGADMP COc1ccc2c(c1)CC[C@H]2[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000631595724 460464987 /nfs/dbraw/zinc/46/49/87/460464987.db2.gz DSDUDSNEXPEWKR-GQIGUUNPSA-N 2 1 332.488 3.162 20 0 EGADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1=O)C(C)(C)C ZINC000604774479 460477475 /nfs/dbraw/zinc/47/74/75/460477475.db2.gz WYEMZBQXOZXXPU-ROUUACIJSA-N 2 1 349.494 3.277 20 0 EGADMP O[C@@]1(C[NH2+]C[C@@H]2CCCC(F)(F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634713350 460490466 /nfs/dbraw/zinc/49/04/66/460490466.db2.gz UNPDRSRVJDZORO-QZTJIDSGSA-N 2 1 338.442 3.039 20 0 EGADMP O[C@@]1(C[NH2+]C[C@@H]2CCCC(F)(F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634713350 460490470 /nfs/dbraw/zinc/49/04/70/460490470.db2.gz UNPDRSRVJDZORO-QZTJIDSGSA-N 2 1 338.442 3.039 20 0 EGADMP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCCc3scnc32)cc1 ZINC000623866533 460750817 /nfs/dbraw/zinc/75/08/17/460750817.db2.gz ZKQAKHKRWKCOLV-INIZCTEOSA-N 2 1 331.485 3.251 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)CC[C@@H]1C(F)(F)F ZINC000629562796 460811404 /nfs/dbraw/zinc/81/14/04/460811404.db2.gz CEBCTWOITMRHGM-RISCZKNCSA-N 2 1 336.785 3.178 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)CC[C@@H]1C(F)(F)F ZINC000629562796 460811406 /nfs/dbraw/zinc/81/14/06/460811406.db2.gz CEBCTWOITMRHGM-RISCZKNCSA-N 2 1 336.785 3.178 20 0 EGADMP COc1ccccc1CCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565931 460813079 /nfs/dbraw/zinc/81/30/79/460813079.db2.gz XHQYITBOJHVRHZ-CABCVRRESA-N 2 1 330.394 3.087 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(C)cn2)[C@H](C)C1 ZINC000624112747 460865082 /nfs/dbraw/zinc/86/50/82/460865082.db2.gz KCEFDTJFSWJUHW-MOPGFXCFSA-N 2 1 347.547 3.394 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)[C@@H](C)C1 ZINC000607957041 460947468 /nfs/dbraw/zinc/94/74/68/460947468.db2.gz TWAUDHQIYGASHZ-UWJYYQICSA-N 2 1 339.483 3.481 20 0 EGADMP CC1CC[NH+]([C@H](CNC(=O)C[N@@H+](C)C2CCC2)c2cccs2)CC1 ZINC000608501139 461075985 /nfs/dbraw/zinc/07/59/85/461075985.db2.gz ZJUBLQXJDKOPIP-QGZVFWFLSA-N 2 1 349.544 3.122 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc4[nH]ccc4c3)CC2)CC1 ZINC000628315923 461084959 /nfs/dbraw/zinc/08/49/59/461084959.db2.gz BLSNRKGSSYDDHU-UHFFFAOYSA-N 2 1 340.515 3.160 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)C1 ZINC000652349315 461143120 /nfs/dbraw/zinc/14/31/20/461143120.db2.gz KLRJBVBKXDERRA-FRFSOERESA-N 2 1 347.484 3.121 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCOc1ccccc1C(F)(F)F)C2 ZINC000652351955 461146570 /nfs/dbraw/zinc/14/65/70/461146570.db2.gz NGRJGBNUBAZCQR-BBRMVZONSA-N 2 1 328.378 3.145 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652354135 461149387 /nfs/dbraw/zinc/14/93/87/461149387.db2.gz NUMFCGCBPCLNGP-GDBMZVCRSA-N 2 1 335.517 3.186 20 0 EGADMP Cc1nnsc1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000662270344 461158864 /nfs/dbraw/zinc/15/88/64/461158864.db2.gz JTIYCFLUXIIANE-DLBZAZTESA-N 2 1 330.501 3.019 20 0 EGADMP Cc1nnsc1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000662270344 461158871 /nfs/dbraw/zinc/15/88/71/461158871.db2.gz JTIYCFLUXIIANE-DLBZAZTESA-N 2 1 330.501 3.019 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290181 461168450 /nfs/dbraw/zinc/16/84/50/461168450.db2.gz MBRNRGDDDHXSNF-GOSISDBHSA-N 2 1 343.515 3.460 20 0 EGADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295541 461172216 /nfs/dbraw/zinc/17/22/16/461172216.db2.gz GPBTVZBYKVUVCB-DOTOQJQBSA-N 2 1 347.478 3.173 20 0 EGADMP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295543 461172774 /nfs/dbraw/zinc/17/27/74/461172774.db2.gz GPBTVZBYKVUVCB-NVXWUHKLSA-N 2 1 347.478 3.173 20 0 EGADMP Cc1cccc(C)c1[C@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000662294447 461173947 /nfs/dbraw/zinc/17/39/47/461173947.db2.gz FAWVQXPHMVQULK-HBMCJLEFSA-N 2 1 338.495 3.371 20 0 EGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@H](c3nccn3C)C3CC3)C2)c1 ZINC000638008049 461193695 /nfs/dbraw/zinc/19/36/95/461193695.db2.gz WDWONSSTQGGBCQ-YJBOKZPZSA-N 2 1 325.460 3.009 20 0 EGADMP COc1cc(C)c([C@H](C)N2CCC([N@@H+](C)C[C@H](C)O)CC2)cc1C ZINC000638048847 461215486 /nfs/dbraw/zinc/21/54/86/461215486.db2.gz UZJVAIBBUAEVDC-IRXDYDNUSA-N 2 1 334.504 3.150 20 0 EGADMP COc1cc(C)c([C@H](C)[NH+]2CCC([N@H+](C)C[C@H](C)O)CC2)cc1C ZINC000638048847 461215491 /nfs/dbraw/zinc/21/54/91/461215491.db2.gz UZJVAIBBUAEVDC-IRXDYDNUSA-N 2 1 334.504 3.150 20 0 EGADMP COc1cc(C)c([C@H](C)[NH+]2CCC([N@@H+](C)C[C@H](C)O)CC2)cc1C ZINC000638048847 461215498 /nfs/dbraw/zinc/21/54/98/461215498.db2.gz UZJVAIBBUAEVDC-IRXDYDNUSA-N 2 1 334.504 3.150 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)[C@@H]2CCc3cc(OC)c(OC)cc32)C[C@H]1C ZINC000638109764 461246094 /nfs/dbraw/zinc/24/60/94/461246094.db2.gz GPPGVSOWZMFAGW-UWWQBHOKSA-N 2 1 332.488 3.496 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)[C@@H]2CCc3cc(OC)c(OC)cc32)C[C@H]1C ZINC000638109764 461246098 /nfs/dbraw/zinc/24/60/98/461246098.db2.gz GPPGVSOWZMFAGW-UWWQBHOKSA-N 2 1 332.488 3.496 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)[C@@H]2CCc3cc(OC)c(OC)cc32)C[C@H]1C ZINC000638109764 461246105 /nfs/dbraw/zinc/24/61/05/461246105.db2.gz GPPGVSOWZMFAGW-UWWQBHOKSA-N 2 1 332.488 3.496 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)[C@@H]2CCc3cc(OC)c(OC)cc32)C[C@H]1C ZINC000638109764 461246110 /nfs/dbraw/zinc/24/61/10/461246110.db2.gz GPPGVSOWZMFAGW-UWWQBHOKSA-N 2 1 332.488 3.496 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)CC2 ZINC000638119725 461253634 /nfs/dbraw/zinc/25/36/34/461253634.db2.gz ABMPVFVFSAUDNV-QFBILLFUSA-N 2 1 344.499 3.499 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)CC2 ZINC000638119725 461253640 /nfs/dbraw/zinc/25/36/40/461253640.db2.gz ABMPVFVFSAUDNV-QFBILLFUSA-N 2 1 344.499 3.499 20 0 EGADMP CC[C@H]1CN(C(=O)c2cccc3c2C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000662537635 461287508 /nfs/dbraw/zinc/28/75/08/461287508.db2.gz NUVCDOUERNXFOQ-IBGZPJMESA-N 2 1 349.478 3.026 20 0 EGADMP CC[C@H]1CN(C(=O)c2cccc3c2C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000662537635 461287517 /nfs/dbraw/zinc/28/75/17/461287517.db2.gz NUVCDOUERNXFOQ-IBGZPJMESA-N 2 1 349.478 3.026 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(CC)nc2-c2ccccc2)C1 ZINC000641709337 461332129 /nfs/dbraw/zinc/33/21/29/461332129.db2.gz BXZGPZWKHGOHEP-KRWDZBQOSA-N 2 1 326.488 3.392 20 0 EGADMP CSc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)o1 ZINC000641733238 461341958 /nfs/dbraw/zinc/34/19/58/461341958.db2.gz NGHUBCUIBYOENO-UHFFFAOYSA-N 2 1 332.473 3.167 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2[NH2+]CCC2(C)C)cc1 ZINC000662675409 461343491 /nfs/dbraw/zinc/34/34/91/461343491.db2.gz MWYYZIVWMZERCM-QAPCUYQASA-N 2 1 329.488 3.388 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655688727 461363873 /nfs/dbraw/zinc/36/38/73/461363873.db2.gz CTGCCNWUCIZAMX-FQEVSTJZSA-N 2 1 329.532 3.298 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1OC(F)F ZINC000638321609 461367070 /nfs/dbraw/zinc/36/70/70/461367070.db2.gz NBVXESNQGBOUPO-CYBMUJFWSA-N 2 1 342.430 3.174 20 0 EGADMP c1c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)sc2c1CCCC2 ZINC000655702361 461374113 /nfs/dbraw/zinc/37/41/13/461374113.db2.gz UVGQWKYOTMUGKC-QGZVFWFLSA-N 2 1 334.529 3.360 20 0 EGADMP CO[C@H](C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[C@@H]1CCOC1 ZINC000638363301 461388500 /nfs/dbraw/zinc/38/85/00/461388500.db2.gz LAYDEXDAFPNHIG-IOMROCGXSA-N 2 1 346.515 3.060 20 0 EGADMP CSc1cc(C)ccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655722568 461391930 /nfs/dbraw/zinc/39/19/30/461391930.db2.gz FHVBHJMLZCEOQJ-GOSISDBHSA-N 2 1 334.529 3.450 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000655724175 461393757 /nfs/dbraw/zinc/39/37/57/461393757.db2.gz XEMWEYOFQWWKBQ-SFHVURJKSA-N 2 1 326.488 3.311 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000655724175 461393760 /nfs/dbraw/zinc/39/37/60/461393760.db2.gz XEMWEYOFQWWKBQ-SFHVURJKSA-N 2 1 326.488 3.311 20 0 EGADMP CO[C@@H](C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)CC(C)C ZINC000638523961 461465854 /nfs/dbraw/zinc/46/58/54/461465854.db2.gz KWSMBUUXQRLALZ-GOSISDBHSA-N 2 1 337.508 3.154 20 0 EGADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccncc2Br)c1 ZINC000631037117 461489650 /nfs/dbraw/zinc/48/96/50/461489650.db2.gz GSPCHGABBWCGHY-UHFFFAOYSA-N 2 1 334.261 3.196 20 0 EGADMP C[C@H](CN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)[NH+](C)C1CC1 ZINC000638574772 461491556 /nfs/dbraw/zinc/49/15/56/461491556.db2.gz HRGQNXRSOFCDKC-HGHGUNKESA-N 2 1 327.516 3.427 20 0 EGADMP C[C@H](CN[C@@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1)[N@H+](C)C1CC1 ZINC000638574772 461491565 /nfs/dbraw/zinc/49/15/65/461491565.db2.gz HRGQNXRSOFCDKC-HGHGUNKESA-N 2 1 327.516 3.427 20 0 EGADMP C[C@H](CN[C@@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000638574772 461491576 /nfs/dbraw/zinc/49/15/76/461491576.db2.gz HRGQNXRSOFCDKC-HGHGUNKESA-N 2 1 327.516 3.427 20 0 EGADMP COCCc1ncc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000631043485 461496018 /nfs/dbraw/zinc/49/60/18/461496018.db2.gz XXSYTCMHSKBHEZ-HNNXBMFYSA-N 2 1 325.522 3.076 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000653108152 461505332 /nfs/dbraw/zinc/50/53/32/461505332.db2.gz KPPXLVLCMHRHLW-FUHWJXTLSA-N 2 1 329.488 3.389 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CS[C@@H](C)C3)CC2)cs1 ZINC000638622916 461508021 /nfs/dbraw/zinc/50/80/21/461508021.db2.gz DUCCOWLAYGTDFI-DZGCQCFKSA-N 2 1 339.574 3.401 20 0 EGADMP CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638743184 461558104 /nfs/dbraw/zinc/55/81/04/461558104.db2.gz BZDQQYHEUAKNSM-QGZVFWFLSA-N 2 1 348.531 3.497 20 0 EGADMP Cc1ccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c(OC(C)(C)C)c1 ZINC000638755535 461562198 /nfs/dbraw/zinc/56/21/98/461562198.db2.gz CMVFWUVFKVAVLO-UHFFFAOYSA-N 2 1 348.531 3.497 20 0 EGADMP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638756503 461562407 /nfs/dbraw/zinc/56/24/07/461562407.db2.gz NQUWIESWTFLDGL-KRZXBLKESA-N 2 1 344.499 3.138 20 0 EGADMP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638756503 461562413 /nfs/dbraw/zinc/56/24/13/461562413.db2.gz NQUWIESWTFLDGL-KRZXBLKESA-N 2 1 344.499 3.138 20 0 EGADMP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638756505 461562513 /nfs/dbraw/zinc/56/25/13/461562513.db2.gz NQUWIESWTFLDGL-XRULBBBTSA-N 2 1 344.499 3.138 20 0 EGADMP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638756505 461562521 /nfs/dbraw/zinc/56/25/21/461562521.db2.gz NQUWIESWTFLDGL-XRULBBBTSA-N 2 1 344.499 3.138 20 0 EGADMP Cc1cc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)nc3C2)cn2ccnc12 ZINC000647221382 461571292 /nfs/dbraw/zinc/57/12/92/461571292.db2.gz WZQNHRYSOYKVEN-ZDUSSCGKSA-N 2 1 337.427 3.233 20 0 EGADMP Brc1ccc2c(c1)[nH+]ccc2N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643031625 461594321 /nfs/dbraw/zinc/59/43/21/461594321.db2.gz TYUIHFRANYCTTE-IAQYHMDHSA-N 2 1 332.245 3.186 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1O ZINC000631196387 461637658 /nfs/dbraw/zinc/63/76/58/461637658.db2.gz QUNXWEXAXFSWRO-QFBILLFUSA-N 2 1 340.467 3.259 20 0 EGADMP c1ccc(CN2CCC[C@@H]([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000663469208 461657477 /nfs/dbraw/zinc/65/74/77/461657477.db2.gz PBKNBLSOITWGSG-FGZHOGPDSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H](NC[C@H]3CCC[NH+](CC4CC4)C3)C2)cc1 ZINC000663469208 461657484 /nfs/dbraw/zinc/65/74/84/461657484.db2.gz PBKNBLSOITWGSG-FGZHOGPDSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](NC[C@H]3CCC[NH+](CC4CC4)C3)C2)cc1 ZINC000663469208 461657492 /nfs/dbraw/zinc/65/74/92/461657492.db2.gz PBKNBLSOITWGSG-FGZHOGPDSA-N 2 1 341.543 3.363 20 0 EGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663467166 461658433 /nfs/dbraw/zinc/65/84/33/461658433.db2.gz DDNZHCBBGDPOKK-CRAIPNDOSA-N 2 1 329.488 3.418 20 0 EGADMP CC(C)n1ccnc1C[N@@H+]1CCCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663560704 461703450 /nfs/dbraw/zinc/70/34/50/461703450.db2.gz ZVEONJNOSUZCBO-UHFFFAOYSA-N 2 1 338.459 3.053 20 0 EGADMP CC(C)n1ccnc1C[N@H+]1CCCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663560704 461703463 /nfs/dbraw/zinc/70/34/63/461703463.db2.gz ZVEONJNOSUZCBO-UHFFFAOYSA-N 2 1 338.459 3.053 20 0 EGADMP OCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639075460 461709142 /nfs/dbraw/zinc/70/91/42/461709142.db2.gz JPYAVUXRNNQXTI-GIUOSPMZSA-N 2 1 328.500 3.495 20 0 EGADMP OCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639075460 461709150 /nfs/dbraw/zinc/70/91/50/461709150.db2.gz JPYAVUXRNNQXTI-GIUOSPMZSA-N 2 1 328.500 3.495 20 0 EGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@@H](c3nccn3C)C3CC3)C1)CCCC2 ZINC000639077428 461714167 /nfs/dbraw/zinc/71/41/67/461714167.db2.gz WWWZGAGTLYOIPM-VQIMIIECSA-N 2 1 339.487 3.202 20 0 EGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@@H](c3nccn3C)C3CC3)C1)CCCC2 ZINC000639077428 461714172 /nfs/dbraw/zinc/71/41/72/461714172.db2.gz WWWZGAGTLYOIPM-VQIMIIECSA-N 2 1 339.487 3.202 20 0 EGADMP CC[C@@H](CC(F)F)C[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000660333699 461715866 /nfs/dbraw/zinc/71/58/66/461715866.db2.gz DHWNYDQAMZFICC-QFBILLFUSA-N 2 1 340.458 3.237 20 0 EGADMP CC[C@@H](CC(F)F)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660333699 461715872 /nfs/dbraw/zinc/71/58/72/461715872.db2.gz DHWNYDQAMZFICC-QFBILLFUSA-N 2 1 340.458 3.237 20 0 EGADMP CC[C@@H](CC(F)F)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660333699 461715878 /nfs/dbraw/zinc/71/58/78/461715878.db2.gz DHWNYDQAMZFICC-QFBILLFUSA-N 2 1 340.458 3.237 20 0 EGADMP CC[C@@H](CC(F)F)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660333699 461715881 /nfs/dbraw/zinc/71/58/81/461715881.db2.gz DHWNYDQAMZFICC-QFBILLFUSA-N 2 1 340.458 3.237 20 0 EGADMP CC[C@@H](CC(F)F)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660333699 461715887 /nfs/dbraw/zinc/71/58/87/461715887.db2.gz DHWNYDQAMZFICC-QFBILLFUSA-N 2 1 340.458 3.237 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@H]1[NH3+] ZINC000647497265 461734669 /nfs/dbraw/zinc/73/46/69/461734669.db2.gz BFSAAHCONYUNTK-FXAWDEMLSA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2c(C)nn(Cc3ccccc3)c2C)CC[C@H]1[NH3+] ZINC000647498251 461735937 /nfs/dbraw/zinc/73/59/37/461735937.db2.gz DEDJTDDBEFDHQP-AZUAARDMSA-N 2 1 326.488 3.107 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc5nccnc5c4)C[C@@H]3C2)cc1 ZINC000639121312 461740223 /nfs/dbraw/zinc/74/02/23/461740223.db2.gz ZAZZRMVYAWEYGP-BGYRXZFFSA-N 2 1 344.462 3.194 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc5nccnc5c4)C[C@@H]3C2)cc1 ZINC000639121312 461740231 /nfs/dbraw/zinc/74/02/31/461740231.db2.gz ZAZZRMVYAWEYGP-BGYRXZFFSA-N 2 1 344.462 3.194 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc5nccnc5c4)C[C@@H]3C2)cc1 ZINC000639121312 461740236 /nfs/dbraw/zinc/74/02/36/461740236.db2.gz ZAZZRMVYAWEYGP-BGYRXZFFSA-N 2 1 344.462 3.194 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc5nccnc5c4)C[C@@H]3C2)cc1 ZINC000639121312 461740241 /nfs/dbraw/zinc/74/02/41/461740241.db2.gz ZAZZRMVYAWEYGP-BGYRXZFFSA-N 2 1 344.462 3.194 20 0 EGADMP CCCN(CC1CC1)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637873896 461749652 /nfs/dbraw/zinc/74/96/52/461749652.db2.gz BSBUTAYPCSEKAZ-UHFFFAOYSA-N 2 1 343.515 3.019 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(-c2cc3ccccc3o2)n1 ZINC000647538733 461753103 /nfs/dbraw/zinc/75/31/03/461753103.db2.gz FKOOTLZCNLQUJN-HXUWFJFHSA-N 2 1 336.439 3.019 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(-c2cc3ccccc3o2)n1 ZINC000647538733 461753111 /nfs/dbraw/zinc/75/31/11/461753111.db2.gz FKOOTLZCNLQUJN-HXUWFJFHSA-N 2 1 336.439 3.019 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)s2)cn1 ZINC000647542669 461754012 /nfs/dbraw/zinc/75/40/12/461754012.db2.gz AAJFYBPPAYNARY-CVEARBPZSA-N 2 1 344.528 3.360 20 0 EGADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543279 461756047 /nfs/dbraw/zinc/75/60/47/461756047.db2.gz KJAUNKCYTUZQAK-RBUKOAKNSA-N 2 1 338.499 3.392 20 0 EGADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cnc21 ZINC000647543953 461758405 /nfs/dbraw/zinc/75/84/05/461758405.db2.gz UUPSJPGMSDHZOP-MSOLQXFVSA-N 2 1 341.503 3.224 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546152 461759148 /nfs/dbraw/zinc/75/91/48/461759148.db2.gz JQPAKSMPXGQJNY-RLLQIKCJSA-N 2 1 327.516 3.161 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546152 461759155 /nfs/dbraw/zinc/75/91/55/461759155.db2.gz JQPAKSMPXGQJNY-RLLQIKCJSA-N 2 1 327.516 3.161 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000647544510 461759444 /nfs/dbraw/zinc/75/94/44/461759444.db2.gz BVUUJZFLZULOLA-IRXDYDNUSA-N 2 1 342.487 3.200 20 0 EGADMP Cn1ccnc1C[C@H](NCc1cnc(C2CC2)nc1)c1ccccc1 ZINC000656503623 461769729 /nfs/dbraw/zinc/76/97/29/461769729.db2.gz VANSWSCZGOARGU-SFHVURJKSA-N 2 1 333.439 3.161 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@H+]1CC[C@H](C3CC[NH+](C)CC3)C1)CC2 ZINC000639177028 461782247 /nfs/dbraw/zinc/78/22/47/461782247.db2.gz OMKXUKMOJOAITR-HKUYNNGSSA-N 2 1 344.499 3.355 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000653664777 461794851 /nfs/dbraw/zinc/79/48/51/461794851.db2.gz YAHIDUPUQGGOSO-MRXNPFEDSA-N 2 1 349.276 3.251 20 0 EGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000653671641 461798115 /nfs/dbraw/zinc/79/81/15/461798115.db2.gz ONNBHLSTTOJKTR-WBVHZDCISA-N 2 1 344.421 3.197 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000653671641 461798123 /nfs/dbraw/zinc/79/81/23/461798123.db2.gz ONNBHLSTTOJKTR-WBVHZDCISA-N 2 1 344.421 3.197 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000653671641 461798132 /nfs/dbraw/zinc/79/81/32/461798132.db2.gz ONNBHLSTTOJKTR-WBVHZDCISA-N 2 1 344.421 3.197 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000653671641 461798141 /nfs/dbraw/zinc/79/81/41/461798141.db2.gz ONNBHLSTTOJKTR-WBVHZDCISA-N 2 1 344.421 3.197 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@@]3(C1)CCC[NH+](C)C3)CC2 ZINC000639208616 461804536 /nfs/dbraw/zinc/80/45/36/461804536.db2.gz ZFCGWLYEZRBGFO-XLIONFOSSA-N 2 1 330.472 3.109 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@@]3(C1)CCC[NH+](C)C3)CC2 ZINC000639208616 461804541 /nfs/dbraw/zinc/80/45/41/461804541.db2.gz ZFCGWLYEZRBGFO-XLIONFOSSA-N 2 1 330.472 3.109 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@@]3(C1)CCC[N@H+](C)C3)CC2 ZINC000639208616 461804545 /nfs/dbraw/zinc/80/45/45/461804545.db2.gz ZFCGWLYEZRBGFO-XLIONFOSSA-N 2 1 330.472 3.109 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@@]3(C1)CCC[N@@H+](C)C3)CC2 ZINC000639208616 461804550 /nfs/dbraw/zinc/80/45/50/461804550.db2.gz ZFCGWLYEZRBGFO-XLIONFOSSA-N 2 1 330.472 3.109 20 0 EGADMP CNC(=O)C[C@@H](C)[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000639248422 461824910 /nfs/dbraw/zinc/82/49/10/461824910.db2.gz YIUGXWLGNYQEIE-UTKZUKDTSA-N 2 1 345.531 3.039 20 0 EGADMP COc1cc(C)c([C@@H](C)[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1C ZINC000639334166 461867001 /nfs/dbraw/zinc/86/70/01/461867001.db2.gz ADNCGGCNFMYTAY-MSOLQXFVSA-N 2 1 334.504 3.416 20 0 EGADMP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc(C)c1OCC(F)(F)F ZINC000647881229 461868423 /nfs/dbraw/zinc/86/84/23/461868423.db2.gz WRPXJYSPQYQCNF-CQSZACIVSA-N 2 1 330.394 3.286 20 0 EGADMP CC(C)(C)[C@]1(C[NH2+]C[C@H]2C[C@@H](O)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639353403 461877309 /nfs/dbraw/zinc/87/73/09/461877309.db2.gz RTOOFXXFZZHQLB-ZVDOUQERSA-N 2 1 330.516 3.285 20 0 EGADMP Cc1nc2ccc(C[N@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)cc2s1 ZINC000650707294 461899287 /nfs/dbraw/zinc/89/92/87/461899287.db2.gz CLDDCNQBUFUOPZ-XYJFISCASA-N 2 1 345.512 3.323 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc2cccnc12 ZINC000650707221 461900170 /nfs/dbraw/zinc/90/01/70/461900170.db2.gz ANIXLCCFDLFHJJ-XUVXKRRUSA-N 2 1 339.483 3.262 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3F)C2)C1 ZINC000650707826 461901500 /nfs/dbraw/zinc/90/15/00/461901500.db2.gz NSDAOHZFCIBOJN-UNEWFSDZSA-N 2 1 326.843 3.197 20 0 EGADMP CC1(C)Cc2cccc(C[N@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)c2O1 ZINC000650708277 461902347 /nfs/dbraw/zinc/90/23/47/461902347.db2.gz WXSAISBMZRVQGH-QXAKKESOSA-N 2 1 344.499 3.118 20 0 EGADMP COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)cc1 ZINC000647956135 461906129 /nfs/dbraw/zinc/90/61/29/461906129.db2.gz DWLBGJZOHFSXIG-ICSRJNTNSA-N 2 1 334.504 3.313 20 0 EGADMP COc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)cc1 ZINC000647956135 461906133 /nfs/dbraw/zinc/90/61/33/461906133.db2.gz DWLBGJZOHFSXIG-ICSRJNTNSA-N 2 1 334.504 3.313 20 0 EGADMP COc1ccc([C@@H]2CCCCC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000647956135 461906139 /nfs/dbraw/zinc/90/61/39/461906139.db2.gz DWLBGJZOHFSXIG-ICSRJNTNSA-N 2 1 334.504 3.313 20 0 EGADMP COc1ccc([C@@H]2CCCCC[NH+]2C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000647956135 461906143 /nfs/dbraw/zinc/90/61/43/461906143.db2.gz DWLBGJZOHFSXIG-ICSRJNTNSA-N 2 1 334.504 3.313 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998548 461906086 /nfs/dbraw/zinc/90/60/86/461906086.db2.gz ZWKCMTOVPDWEBV-LJQANCHMSA-N 2 1 338.499 3.313 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000647960636 461909173 /nfs/dbraw/zinc/90/91/73/461909173.db2.gz AYGDBGGZQUCSFC-IFMALSPDSA-N 2 1 338.495 3.335 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000647960636 461909177 /nfs/dbraw/zinc/90/91/77/461909177.db2.gz AYGDBGGZQUCSFC-IFMALSPDSA-N 2 1 338.495 3.335 20 0 EGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000647960636 461909184 /nfs/dbraw/zinc/90/91/84/461909184.db2.gz AYGDBGGZQUCSFC-IFMALSPDSA-N 2 1 338.495 3.335 20 0 EGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000647960636 461909188 /nfs/dbraw/zinc/90/91/88/461909188.db2.gz AYGDBGGZQUCSFC-IFMALSPDSA-N 2 1 338.495 3.335 20 0 EGADMP COc1ccc2oc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)cc2c1 ZINC000650723880 461915748 /nfs/dbraw/zinc/91/57/48/461915748.db2.gz VHYQIZIWZCWITN-ZTNFWEORSA-N 2 1 344.455 3.302 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2csc(-c3ccco3)n2)C1 ZINC000650723861 461916460 /nfs/dbraw/zinc/91/64/60/461916460.db2.gz VBYSSYBPRVKMFY-UKPHBRMFSA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2csc(-c3ccco3)n2)C1 ZINC000650723861 461916465 /nfs/dbraw/zinc/91/64/65/461916465.db2.gz VBYSSYBPRVKMFY-UKPHBRMFSA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc3cc(F)ccc3o2)C1 ZINC000650723955 461916601 /nfs/dbraw/zinc/91/66/01/461916601.db2.gz WDORLSGWNDZQKV-AYBZRNKSSA-N 2 1 332.419 3.433 20 0 EGADMP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977682 461919496 /nfs/dbraw/zinc/91/94/96/461919496.db2.gz GBCNULLZDLEVFS-IAGOWNOFSA-N 2 1 339.483 3.371 20 0 EGADMP C[N@@H+](CCN1CCC([NH2+]Cc2ccccc2)CC1)Cc1ccccc1 ZINC000660676915 461921785 /nfs/dbraw/zinc/92/17/85/461921785.db2.gz COQCHSZSVOAJMZ-UHFFFAOYSA-N 2 1 337.511 3.373 20 0 EGADMP O[C@]1(C(F)(F)F)CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000644420488 461951901 /nfs/dbraw/zinc/95/19/01/461951901.db2.gz FQMSNIYFCAVIHQ-IAGOWNOFSA-N 2 1 342.405 3.087 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CNc3ccnn3C2)CC1)CC(C)C ZINC000648035795 461952289 /nfs/dbraw/zinc/95/22/89/461952289.db2.gz PPALBYNQRZZNEA-IBGZPJMESA-N 2 1 347.551 3.005 20 0 EGADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000644530500 461972294 /nfs/dbraw/zinc/97/22/94/461972294.db2.gz BQIYHRPTFPYTQZ-FGZHOGPDSA-N 2 1 338.495 3.092 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000648150654 461989715 /nfs/dbraw/zinc/98/97/15/461989715.db2.gz ZAZYYGWKHLPFBT-LTCOOKNTSA-N 2 1 349.906 3.204 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000648150654 461989721 /nfs/dbraw/zinc/98/97/21/461989721.db2.gz ZAZYYGWKHLPFBT-LTCOOKNTSA-N 2 1 349.906 3.204 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660856603 461996515 /nfs/dbraw/zinc/99/65/15/461996515.db2.gz QGLOJBQFXNZKOH-KRWDZBQOSA-N 2 1 326.488 3.302 20 0 EGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660857022 461997729 /nfs/dbraw/zinc/99/77/29/461997729.db2.gz DFVLOWVWOWPGLC-UHFFFAOYSA-N 2 1 337.471 3.184 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(C(F)(F)F)nn2C)C1 ZINC000657311938 462037117 /nfs/dbraw/zinc/03/71/17/462037117.db2.gz ZSFHUPYOTSQFAA-CYBMUJFWSA-N 2 1 332.414 3.041 20 0 EGADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000657334435 462052690 /nfs/dbraw/zinc/05/26/90/462052690.db2.gz AMJSJINNYHQIGQ-GOSISDBHSA-N 2 1 338.499 3.299 20 0 EGADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000657334435 462052696 /nfs/dbraw/zinc/05/26/96/462052696.db2.gz AMJSJINNYHQIGQ-GOSISDBHSA-N 2 1 338.499 3.299 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684384 462056455 /nfs/dbraw/zinc/05/64/55/462056455.db2.gz UMWCVUVFDORBFH-UHFFFAOYSA-N 2 1 347.466 3.288 20 0 EGADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683312 462056636 /nfs/dbraw/zinc/05/66/36/462056636.db2.gz WWTZYLZJKAHMLN-UHFFFAOYSA-N 2 1 334.423 3.048 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cscc3Br)C2)CC1 ZINC000639754723 462092378 /nfs/dbraw/zinc/09/23/78/462092378.db2.gz DWWUEZZTTQDZCC-UHFFFAOYSA-N 2 1 329.307 3.428 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)Cc2ccccc2O1 ZINC000644843205 462102488 /nfs/dbraw/zinc/10/24/88/462102488.db2.gz BEGYXJSULGMHSX-KRWDZBQOSA-N 2 1 340.467 3.410 20 0 EGADMP c1coc(C2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)c1 ZINC000661160711 462127812 /nfs/dbraw/zinc/12/78/12/462127812.db2.gz AYJZLCDYWMRBAE-UHFFFAOYSA-N 2 1 340.467 3.491 20 0 EGADMP OC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCCC1 ZINC000651228810 462146237 /nfs/dbraw/zinc/14/62/37/462146237.db2.gz DIQDHCMDVXHRRE-ZCNNSNEGSA-N 2 1 328.500 3.324 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@@H](C)COC)cc2)C[C@H]1C ZINC000667664556 462197613 /nfs/dbraw/zinc/19/76/13/462197613.db2.gz NUPSWQGSNFIXDA-AOIWGVFYSA-N 2 1 334.504 3.405 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(O[C@@H](C)COC)cc2)C[C@H]1C ZINC000667664556 462197618 /nfs/dbraw/zinc/19/76/18/462197618.db2.gz NUPSWQGSNFIXDA-AOIWGVFYSA-N 2 1 334.504 3.405 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(O[C@@H](C)COC)cc2)C[C@H]1C ZINC000667664556 462197623 /nfs/dbraw/zinc/19/76/23/462197623.db2.gz NUPSWQGSNFIXDA-AOIWGVFYSA-N 2 1 334.504 3.405 20 0 EGADMP CCC1([NH+]2CCCC2)CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000639987939 462207899 /nfs/dbraw/zinc/20/78/99/462207899.db2.gz LENLWGQDRPORQY-UHFFFAOYSA-N 2 1 329.488 3.356 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(C)c1 ZINC000667706804 462224860 /nfs/dbraw/zinc/22/48/60/462224860.db2.gz ITCSEZZERRUEOK-SESVDKBCSA-N 2 1 346.515 3.467 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667731154 462236178 /nfs/dbraw/zinc/23/61/78/462236178.db2.gz MSELFKKNXWTUGI-IYBDPMFKSA-N 2 1 332.492 3.025 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)CC[N@H+]1C ZINC000648735475 462251228 /nfs/dbraw/zinc/25/12/28/462251228.db2.gz SFQCADWTGVFOCC-SQGPQFPESA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[NH+]1C ZINC000648735475 462251233 /nfs/dbraw/zinc/25/12/33/462251233.db2.gz SFQCADWTGVFOCC-SQGPQFPESA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[NH+]1C ZINC000648735475 462251238 /nfs/dbraw/zinc/25/12/38/462251238.db2.gz SFQCADWTGVFOCC-SQGPQFPESA-N 2 1 343.515 3.017 20 0 EGADMP CO[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000648742304 462255000 /nfs/dbraw/zinc/25/50/00/462255000.db2.gz BXPWADSJCMGTBX-PXNSSMCTSA-N 2 1 332.488 3.018 20 0 EGADMP CC(C)c1nc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c2ccccn21 ZINC000651771586 462331912 /nfs/dbraw/zinc/33/19/12/462331912.db2.gz GEUDFZKOAZHWPS-INIZCTEOSA-N 2 1 337.471 3.349 20 0 EGADMP CC(C)c1nc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c2ccccn21 ZINC000651771586 462331916 /nfs/dbraw/zinc/33/19/16/462331916.db2.gz GEUDFZKOAZHWPS-INIZCTEOSA-N 2 1 337.471 3.349 20 0 EGADMP CC1(C)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@@H]2CCC[C@@H]21 ZINC000657969337 462331972 /nfs/dbraw/zinc/33/19/72/462331972.db2.gz NDXXRCXXFASHEA-YSTOQKLRSA-N 2 1 328.500 3.168 20 0 EGADMP CC(C)CCC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1 ZINC000665291570 462388735 /nfs/dbraw/zinc/38/87/35/462388735.db2.gz FXRDZSNXUQRHOS-KRWDZBQOSA-N 2 1 328.460 3.298 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)CC[NH2+]2)cc1 ZINC000665299447 462390131 /nfs/dbraw/zinc/39/01/31/462390131.db2.gz NDQZAHXDDBJEOX-SFTDATJTSA-N 3 1 327.516 3.191 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652150998 462453053 /nfs/dbraw/zinc/45/30/53/462453053.db2.gz GFBRHCHQXMHZOG-ZBFHGGJFSA-N 2 1 336.476 3.095 20 0 EGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649343202 462481963 /nfs/dbraw/zinc/48/19/63/462481963.db2.gz NMNJKTJCMKTJOQ-KRWDZBQOSA-N 2 1 331.847 3.349 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000357918637 534912630 /nfs/dbraw/zinc/91/26/30/534912630.db2.gz USLZJTDCXXQSBG-UHFFFAOYSA-N 2 1 334.508 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000357918637 534912638 /nfs/dbraw/zinc/91/26/38/534912638.db2.gz USLZJTDCXXQSBG-UHFFFAOYSA-N 2 1 334.508 3.120 20 0 EGADMP CCOc1cccc2cc([C@@H](C)[NH2+][C@H](C)CN3CC[NH+](C)CC3)oc21 ZINC000181721026 528699675 /nfs/dbraw/zinc/69/96/75/528699675.db2.gz CJDZOXLLJXAYSG-HZPDHXFCSA-N 2 1 345.487 3.118 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@@H](C)c1cccs1 ZINC000191481344 528862232 /nfs/dbraw/zinc/86/22/32/528862232.db2.gz GCTMHLZLBGAPDT-HNNXBMFYSA-N 2 1 348.516 3.096 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@@H](C)c1cccs1 ZINC000191481344 528862244 /nfs/dbraw/zinc/86/22/44/528862244.db2.gz GCTMHLZLBGAPDT-HNNXBMFYSA-N 2 1 348.516 3.096 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+](C)C(C)C)cc1)C(C)C ZINC000338022725 535782838 /nfs/dbraw/zinc/78/28/38/535782838.db2.gz UCSAIKUWMXNRLR-UHFFFAOYSA-N 2 1 333.520 3.377 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCCC[N@H+](C)C(C)C)cc1)C(C)C ZINC000338022725 535782840 /nfs/dbraw/zinc/78/28/40/535782840.db2.gz UCSAIKUWMXNRLR-UHFFFAOYSA-N 2 1 333.520 3.377 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCCC[N@@H+](C)C(C)C)cc1)C(C)C ZINC000338022725 535782842 /nfs/dbraw/zinc/78/28/42/535782842.db2.gz UCSAIKUWMXNRLR-UHFFFAOYSA-N 2 1 333.520 3.377 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000186251849 536778725 /nfs/dbraw/zinc/77/87/25/536778725.db2.gz ZXHKMDOXVADHLV-UHFFFAOYSA-N 2 1 338.467 3.102 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc12 ZINC000363784011 536898272 /nfs/dbraw/zinc/89/82/72/536898272.db2.gz OMGKMMXVYZBXQU-BBWFWOEESA-N 2 1 340.467 3.362 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccccc12 ZINC000363784011 536898274 /nfs/dbraw/zinc/89/82/74/536898274.db2.gz OMGKMMXVYZBXQU-BBWFWOEESA-N 2 1 340.467 3.362 20 0 EGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000162162777 546963948 /nfs/dbraw/zinc/96/39/48/546963948.db2.gz SSBMHUQZMGARPT-GOSISDBHSA-N 3 1 329.532 3.279 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310894539 547461832 /nfs/dbraw/zinc/46/18/32/547461832.db2.gz ZXHIZEQIWIZAEJ-YZGWKJHDSA-N 2 1 345.531 3.024 20 0 EGADMP CCOc1cc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC ZINC000339077038 547567602 /nfs/dbraw/zinc/56/76/02/547567602.db2.gz YIFRCOMSAITQOM-ROUUACIJSA-N 2 1 332.488 3.243 20 0 EGADMP Fc1ccc(CN2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339074889 547568220 /nfs/dbraw/zinc/56/82/20/547568220.db2.gz MPAKTDGQQADNSE-UXHICEINSA-N 2 1 331.479 3.007 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)CC[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000339248776 547573109 /nfs/dbraw/zinc/57/31/09/547573109.db2.gz BEDYQIIZZIYDGU-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP COC[C@@H]1CCCC[NH+]([C@@H](C)CC[N@@H+]2CCCC[C@@H](COC)C2)C1 ZINC000342573002 547595920 /nfs/dbraw/zinc/59/59/20/547595920.db2.gz UBBBDRDTJUMPEO-XUVXKRRUSA-N 2 1 340.552 3.262 20 0 EGADMP COC[C@@H]1CCCC[NH+](CC[C@H](C)[N@@H+]2CCCC[C@@H](COC)C2)C1 ZINC000342573002 547595925 /nfs/dbraw/zinc/59/59/25/547595925.db2.gz UBBBDRDTJUMPEO-XUVXKRRUSA-N 2 1 340.552 3.262 20 0 EGADMP COC[C@@H]1CCCC[NH+](CC[C@H](C)[N@H+]2CCCC[C@@H](COC)C2)C1 ZINC000342573002 547595928 /nfs/dbraw/zinc/59/59/28/547595928.db2.gz UBBBDRDTJUMPEO-XUVXKRRUSA-N 2 1 340.552 3.262 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000348112209 547627879 /nfs/dbraw/zinc/62/78/79/547627879.db2.gz WFURPTOTNGGDPN-SFTDATJTSA-N 2 1 327.516 3.102 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000390529162 547827915 /nfs/dbraw/zinc/82/79/15/547827915.db2.gz KTWZJOFGZDNOJK-MXEMCNAFSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000390529162 547827918 /nfs/dbraw/zinc/82/79/18/547827918.db2.gz KTWZJOFGZDNOJK-MXEMCNAFSA-N 2 1 327.516 3.161 20 0 EGADMP CCn1ccc(C[N@@H+](C)CCCN2CCN(c3ccccc3)CC2)c1 ZINC000671689503 548334470 /nfs/dbraw/zinc/33/44/70/548334470.db2.gz MDRYUSNCENVYSV-UHFFFAOYSA-N 2 1 340.515 3.152 20 0 EGADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000673438497 548561499 /nfs/dbraw/zinc/56/14/99/548561499.db2.gz UFFSOXOEEOBZAZ-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP COC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccco1 ZINC000673812256 548632901 /nfs/dbraw/zinc/63/29/01/548632901.db2.gz WMNOFQNTVTYCLC-IBGZPJMESA-N 2 1 344.455 3.232 20 0 EGADMP Clc1ccc2[nH+]ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1 ZINC000674062423 548681907 /nfs/dbraw/zinc/68/19/07/548681907.db2.gz QVYYGPAUOATCGK-HNNXBMFYSA-N 2 1 331.847 3.189 20 0 EGADMP CCC[NH+]1CCC(NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000675771952 548977923 /nfs/dbraw/zinc/97/79/23/548977923.db2.gz PHUZYXODKAHPEJ-UHFFFAOYSA-N 2 1 329.532 3.287 20 0 EGADMP CCC[NH+]1CCC(NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000675771952 548977925 /nfs/dbraw/zinc/97/79/25/548977925.db2.gz PHUZYXODKAHPEJ-UHFFFAOYSA-N 2 1 329.532 3.287 20 0 EGADMP Cc1cc(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000676351655 549073549 /nfs/dbraw/zinc/07/35/49/549073549.db2.gz CXWVCKAIMVVVHM-UHFFFAOYSA-N 2 1 344.434 3.188 20 0 EGADMP Cc1nc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)s1 ZINC000676493366 549096704 /nfs/dbraw/zinc/09/67/04/549096704.db2.gz WTYUBTNQFFDUCQ-GFCCVEGCSA-N 2 1 345.516 3.486 20 0 EGADMP CCN1C[C@H](C[N@H+](C)CCCCn2cc[nH+]c2C)Oc2ccccc21 ZINC000678074089 549390723 /nfs/dbraw/zinc/39/07/23/549390723.db2.gz RRIGWNACELGFFB-SFHVURJKSA-N 2 1 342.487 3.191 20 0 EGADMP CCN1C[C@H](C[N@@H+](C)CCCCn2cc[nH+]c2C)Oc2ccccc21 ZINC000678074089 549390727 /nfs/dbraw/zinc/39/07/27/549390727.db2.gz RRIGWNACELGFFB-SFHVURJKSA-N 2 1 342.487 3.191 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000678263778 549449336 /nfs/dbraw/zinc/44/93/36/549449336.db2.gz DSUUNVMPWDHUEJ-UHFFFAOYSA-N 2 1 328.431 3.324 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000678263778 549449341 /nfs/dbraw/zinc/44/93/41/549449341.db2.gz DSUUNVMPWDHUEJ-UHFFFAOYSA-N 2 1 328.431 3.324 20 0 EGADMP CCC[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000678271663 549453545 /nfs/dbraw/zinc/45/35/45/549453545.db2.gz ZRXMTFLTBVBPBI-FQEVSTJZSA-N 2 1 332.488 3.162 20 0 EGADMP CCC[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000678271663 549453548 /nfs/dbraw/zinc/45/35/48/549453548.db2.gz ZRXMTFLTBVBPBI-FQEVSTJZSA-N 2 1 332.488 3.162 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(OC(C)C)CC2)[C@@H](C)C1 ZINC000678604164 549529371 /nfs/dbraw/zinc/52/93/71/549529371.db2.gz DLPUKIVNBZBQCE-DCCYDQLOSA-N 2 1 340.552 3.449 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)c1C ZINC000678780417 549559773 /nfs/dbraw/zinc/55/97/73/549559773.db2.gz LOHVKDOVASXJKQ-UYAOXDASSA-N 2 1 326.484 3.447 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1C ZINC000678780417 549559777 /nfs/dbraw/zinc/55/97/77/549559777.db2.gz LOHVKDOVASXJKQ-UYAOXDASSA-N 2 1 326.484 3.447 20 0 EGADMP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H]1CCCC[C@H]1O ZINC000679360189 549696089 /nfs/dbraw/zinc/69/60/89/549696089.db2.gz HYZWOLOWDSLTII-PZJWPPBQSA-N 2 1 346.515 3.144 20 0 EGADMP COc1cc(C)c([C@@H](C)[NH+]2CCC([N@H+](C)CCCO)CC2)cc1C ZINC000682069152 550067633 /nfs/dbraw/zinc/06/76/33/550067633.db2.gz CKJSPVBUBZLUPS-QGZVFWFLSA-N 2 1 334.504 3.152 20 0 EGADMP COc1cc(C)c([C@@H](C)[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1C ZINC000682069152 550067635 /nfs/dbraw/zinc/06/76/35/550067635.db2.gz CKJSPVBUBZLUPS-QGZVFWFLSA-N 2 1 334.504 3.152 20 0 EGADMP Fc1ccc(COC2CC[NH+]([C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000682075079 550069135 /nfs/dbraw/zinc/06/91/35/550069135.db2.gz GBARTHNVTCAEDC-RBUKOAKNSA-N 2 1 332.463 3.434 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Cl ZINC000685457341 550418756 /nfs/dbraw/zinc/41/87/56/550418756.db2.gz AYBHGFVAMQFXIV-GOSISDBHSA-N 2 1 335.923 3.249 20 0 EGADMP C[N@@H+](Cc1coc2ccccc12)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457592 550419059 /nfs/dbraw/zinc/41/90/59/550419059.db2.gz GBCJAOGPMNDMHU-GOSISDBHSA-N 2 1 327.472 3.033 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470452 550421215 /nfs/dbraw/zinc/42/12/15/550421215.db2.gz QDNWFEIAIFIMOU-CZUORRHYSA-N 2 1 338.879 3.273 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000685849568 550448180 /nfs/dbraw/zinc/44/81/80/550448180.db2.gz NBUFWQXWODNXEM-RTBURBONSA-N 2 1 332.488 3.016 20 0 EGADMP CCCN1Cc2cccc(NC(=S)NC[C@@H]3CCC[N@H+]3CC)c2C1 ZINC000727291699 574658333 /nfs/dbraw/zinc/65/83/33/574658333.db2.gz UIXAXGLEHXGKBW-INIZCTEOSA-N 2 1 346.544 3.183 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=S)NC[C@@H]3CCC[NH+]3CC)c2C1 ZINC000727291699 574658335 /nfs/dbraw/zinc/65/83/35/574658335.db2.gz UIXAXGLEHXGKBW-INIZCTEOSA-N 2 1 346.544 3.183 20 0 EGADMP CCC[NH+]1Cc2cccc(NC(=S)NC[C@@H]3CCC[N@@H+]3CC)c2C1 ZINC000727291699 574658340 /nfs/dbraw/zinc/65/83/40/574658340.db2.gz UIXAXGLEHXGKBW-INIZCTEOSA-N 2 1 346.544 3.183 20 0 EGADMP CCC[NH+]1Cc2cccc(NC(=S)NC[C@@H]3CCC[N@H+]3CC)c2C1 ZINC000727291699 574658342 /nfs/dbraw/zinc/65/83/42/574658342.db2.gz UIXAXGLEHXGKBW-INIZCTEOSA-N 2 1 346.544 3.183 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000729682715 574878482 /nfs/dbraw/zinc/87/84/82/574878482.db2.gz AGAMAKACDSYJJA-IRXDYDNUSA-N 2 1 339.524 3.096 20 0 EGADMP Fc1ccc(COc2cccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC000678343318 576168119 /nfs/dbraw/zinc/16/81/19/576168119.db2.gz QRERHBLICKXVTG-QZTJIDSGSA-N 2 1 326.415 3.056 20 0 EGADMP C[NH+](C)CC1CC[NH+](Cn2ccn(Cc3ccccc3)c2=S)CC1 ZINC000738077810 576285141 /nfs/dbraw/zinc/28/51/41/576285141.db2.gz ZKONRCABVXBIOV-UHFFFAOYSA-N 2 1 344.528 3.298 20 0 EGADMP C[N@H+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000741252584 576669167 /nfs/dbraw/zinc/66/91/67/576669167.db2.gz RBFJPDYQMVVVJL-CJNGLKHVSA-N 2 1 330.394 3.012 20 0 EGADMP C[N@@H+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000741252584 576669168 /nfs/dbraw/zinc/66/91/68/576669168.db2.gz RBFJPDYQMVVVJL-CJNGLKHVSA-N 2 1 330.394 3.012 20 0 EGADMP C[NH+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000741252584 576669170 /nfs/dbraw/zinc/66/91/70/576669170.db2.gz RBFJPDYQMVVVJL-CJNGLKHVSA-N 2 1 330.394 3.012 20 0 EGADMP C[NH+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000741252584 576669172 /nfs/dbraw/zinc/66/91/72/576669172.db2.gz RBFJPDYQMVVVJL-CJNGLKHVSA-N 2 1 330.394 3.012 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+]CCN3CCc4ccccc43)CC2)cc1 ZINC000742369239 576774452 /nfs/dbraw/zinc/77/44/52/576774452.db2.gz PXIQFKJWQJWYRQ-UHFFFAOYSA-N 2 1 335.495 3.303 20 0 EGADMP Cc1ccc(N2CC[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C2=O)cc1 ZINC000742706993 576793746 /nfs/dbraw/zinc/79/37/46/576793746.db2.gz SFIFJOGLQMUMPS-ROUUACIJSA-N 2 1 331.504 3.056 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](CN2C(=O)[C@H](C)[C@H]2c2ccccc2)CC1 ZINC000743366679 576807091 /nfs/dbraw/zinc/80/70/91/576807091.db2.gz ZLYCTKISWRIJGA-XLIONFOSSA-N 2 1 343.515 3.216 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C(=O)[C@H](C)[C@H]2c2ccccc2)CC1 ZINC000743366679 576807092 /nfs/dbraw/zinc/80/70/92/576807092.db2.gz ZLYCTKISWRIJGA-XLIONFOSSA-N 2 1 343.515 3.216 20 0 EGADMP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000693711364 1298151564 /nfs/dbraw/zinc/15/15/64/1298151564.db2.gz DYHSKTIHGWTOEY-MHTWAQMVSA-N 2 1 341.543 3.265 20 0 EGADMP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000693711364 1298151569 /nfs/dbraw/zinc/15/15/69/1298151569.db2.gz DYHSKTIHGWTOEY-MHTWAQMVSA-N 3 1 341.543 3.265 20 0 EGADMP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000693711364 1298151572 /nfs/dbraw/zinc/15/15/72/1298151572.db2.gz DYHSKTIHGWTOEY-MHTWAQMVSA-N 3 1 341.543 3.265 20 0 EGADMP Cc1nn(C)c(C)c1C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000069710361 1292248802 /nfs/dbraw/zinc/24/88/02/1292248802.db2.gz IPDCFMUQOGNAIN-UHFFFAOYSA-N 2 1 326.488 3.100 20 0 EGADMP C[C@@H](C[NH2+]Cc1ccccc1OCc1ccccn1)C[NH+]1CCCC1 ZINC000069752059 1292250929 /nfs/dbraw/zinc/25/09/29/1292250929.db2.gz ZERQFUYRMZQLOS-SFHVURJKSA-N 2 1 339.483 3.482 20 0 EGADMP Cc1noc(C)c1C[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000091812900 1292843467 /nfs/dbraw/zinc/84/34/67/1292843467.db2.gz LWVIIEUXPLYBPC-UHFFFAOYSA-N 2 1 343.471 3.398 20 0 EGADMP Cc1noc(C)c1C[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000091812900 1292843481 /nfs/dbraw/zinc/84/34/81/1292843481.db2.gz LWVIIEUXPLYBPC-UHFFFAOYSA-N 2 1 343.471 3.398 20 0 EGADMP Cn1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c(C(C)(C)C)n1 ZINC000093962227 1292939190 /nfs/dbraw/zinc/93/91/90/1292939190.db2.gz KWPCPPHCGYMVQO-UHFFFAOYSA-N 2 1 332.536 3.462 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000120807864 1293340511 /nfs/dbraw/zinc/34/05/11/1293340511.db2.gz HTKSNLHALAUOEY-IBGZPJMESA-N 2 1 325.456 3.092 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000121824108 1293391316 /nfs/dbraw/zinc/39/13/16/1293391316.db2.gz VABGVPBNZDOGBV-LSDHHAIUSA-N 2 1 336.476 3.095 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C(C)C)[C@H](C)C1 ZINC000131587660 1293694912 /nfs/dbraw/zinc/69/49/12/1293694912.db2.gz OAYWMUFGQVQUIP-IAGOWNOFSA-N 2 1 341.540 3.342 20 0 EGADMP Cc1cc(C[C@H](C)[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)[nH]n1 ZINC000136769652 1293822481 /nfs/dbraw/zinc/82/24/81/1293822481.db2.gz JAVGXSKPRDGMDK-INIZCTEOSA-N 2 1 328.504 3.397 20 0 EGADMP Cc1cc(C[C@H](C)[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)n[nH]1 ZINC000136769652 1293822489 /nfs/dbraw/zinc/82/24/89/1293822489.db2.gz JAVGXSKPRDGMDK-INIZCTEOSA-N 2 1 328.504 3.397 20 0 EGADMP Cc1cc(C[C@H](C)[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)n[nH]1 ZINC000136769652 1293822495 /nfs/dbraw/zinc/82/24/95/1293822495.db2.gz JAVGXSKPRDGMDK-INIZCTEOSA-N 2 1 328.504 3.397 20 0 EGADMP CC(C)COC(=O)N1CCC([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000151914445 1293945051 /nfs/dbraw/zinc/94/50/51/1293945051.db2.gz WMKPKCKCVLBDAC-KRWDZBQOSA-N 2 1 339.524 3.098 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000152314909 1293963084 /nfs/dbraw/zinc/96/30/84/1293963084.db2.gz GJHZUKFTNAJRMK-UHFFFAOYSA-N 2 1 345.531 3.054 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000153087488 1293998892 /nfs/dbraw/zinc/99/88/92/1293998892.db2.gz UWJHFIUCLYDSLM-HXUWFJFHSA-N 2 1 345.531 3.121 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000153087488 1293998895 /nfs/dbraw/zinc/99/88/95/1293998895.db2.gz UWJHFIUCLYDSLM-HXUWFJFHSA-N 2 1 345.531 3.121 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000153087488 1293998898 /nfs/dbraw/zinc/99/88/98/1293998898.db2.gz UWJHFIUCLYDSLM-HXUWFJFHSA-N 2 1 345.531 3.121 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc2c(c1)CCCO2 ZINC000153218936 1294004007 /nfs/dbraw/zinc/00/40/07/1294004007.db2.gz NBABJPFJWNJRDU-LJQANCHMSA-N 2 1 332.488 3.163 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCC1 ZINC000158718131 1294212680 /nfs/dbraw/zinc/21/26/80/1294212680.db2.gz JKQDVVHMARJRPK-KRWDZBQOSA-N 2 1 349.906 3.077 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2nnc3ccccn32)cc1 ZINC000161076784 1294285021 /nfs/dbraw/zinc/28/50/21/1294285021.db2.gz BLJIXJKXNBLMTN-OAHLLOKOSA-N 2 1 346.438 3.117 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000161418847 1294291938 /nfs/dbraw/zinc/29/19/38/1294291938.db2.gz LKEPWLVGGNUGJV-INIZCTEOSA-N 2 1 331.287 3.491 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](C2OCCO2)C1 ZINC000179371992 1294789819 /nfs/dbraw/zinc/78/98/19/1294789819.db2.gz UGAJMPYBNRVVAV-LJQANCHMSA-N 2 1 346.515 3.230 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000179371992 1294789829 /nfs/dbraw/zinc/78/98/29/1294789829.db2.gz UGAJMPYBNRVVAV-LJQANCHMSA-N 2 1 346.515 3.230 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000179371992 1294789840 /nfs/dbraw/zinc/78/98/40/1294789840.db2.gz UGAJMPYBNRVVAV-LJQANCHMSA-N 2 1 346.515 3.230 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccc(F)cc2F)CC1 ZINC000180899558 1294923304 /nfs/dbraw/zinc/92/33/04/1294923304.db2.gz ZSUAJYJRWKGIKL-GOSISDBHSA-N 2 1 326.431 3.025 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000870891683 1296131983 /nfs/dbraw/zinc/13/19/83/1296131983.db2.gz HPHFZXNGLADZOK-RSPOEFSDSA-N 2 1 343.515 3.015 20 0 EGADMP c1ccc(COc2ccccc2C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000236726754 1296198943 /nfs/dbraw/zinc/19/89/43/1296198943.db2.gz UZLBAXSISGEXGD-KRWDZBQOSA-N 2 1 337.467 3.235 20 0 EGADMP c1ccc(COc2ccccc2C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)nc1 ZINC000236726754 1296198946 /nfs/dbraw/zinc/19/89/46/1296198946.db2.gz UZLBAXSISGEXGD-KRWDZBQOSA-N 2 1 337.467 3.235 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C2CCC([NH3+])CC2)cc1)C(C)C ZINC000236992307 1296215535 /nfs/dbraw/zinc/21/55/35/1296215535.db2.gz IJFDGOPRYURSJH-UHFFFAOYSA-N 2 1 331.504 3.259 20 0 EGADMP C[N@@H+](CCC[NH2+]C1CCN(CC(F)(F)F)CC1)C1CCCCC1 ZINC000237077428 1296219748 /nfs/dbraw/zinc/21/97/48/1296219748.db2.gz ZISGNEFCNVJJOI-UHFFFAOYSA-N 2 1 335.458 3.257 20 0 EGADMP Cc1ncc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000237636170 1296253611 /nfs/dbraw/zinc/25/36/11/1296253611.db2.gz JJOLABQCIVMUKW-GASCZTMLSA-N 2 1 345.512 3.351 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)[C@H]1CNC(=O)OC(C)(C)C ZINC000245572218 1296315511 /nfs/dbraw/zinc/31/55/11/1296315511.db2.gz GWSYAKVIPGSCAJ-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)[C@H]1CNC(=O)OC(C)(C)C ZINC000245572218 1296315527 /nfs/dbraw/zinc/31/55/27/1296315527.db2.gz GWSYAKVIPGSCAJ-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)[C@H]1CNC(=O)OC(C)(C)C ZINC000245572218 1296315543 /nfs/dbraw/zinc/31/55/43/1296315543.db2.gz GWSYAKVIPGSCAJ-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000246012353 1296335167 /nfs/dbraw/zinc/33/51/67/1296335167.db2.gz TZAZHLLULQESLP-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000248145594 1296406824 /nfs/dbraw/zinc/40/68/24/1296406824.db2.gz DXHMJNVCKPCCRE-WOJBJXKFSA-N 2 1 343.515 3.204 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])[C@H]1c1cccs1 ZINC000872285657 1296897368 /nfs/dbraw/zinc/89/73/68/1296897368.db2.gz BQAVOSICZPDFAD-CBZIJGRNSA-N 2 1 349.544 3.155 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000310136332 1297093648 /nfs/dbraw/zinc/09/36/48/1297093648.db2.gz ZMAYTSFHQPTEQZ-ZACQAIPSSA-N 2 1 341.540 3.483 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000310136332 1297093665 /nfs/dbraw/zinc/09/36/65/1297093665.db2.gz ZMAYTSFHQPTEQZ-ZACQAIPSSA-N 2 1 341.540 3.483 20 0 EGADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000310877114 1297101121 /nfs/dbraw/zinc/10/11/21/1297101121.db2.gz HGKATPCYRWRQDW-RXVVDRJESA-N 2 1 342.458 3.361 20 0 EGADMP C[C@]1(C[NH2+]C[C@@H](O)c2ccccc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000310925308 1297103895 /nfs/dbraw/zinc/10/38/95/1297103895.db2.gz RZPBVPNXXJZSMN-NHCUHLMSSA-N 2 1 342.458 3.361 20 0 EGADMP C[C@]1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311229010 1297106053 /nfs/dbraw/zinc/10/60/53/1297106053.db2.gz YXRQHUDEEZLLPV-GXRSIYKFSA-N 2 1 341.543 3.409 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000311229010 1297106058 /nfs/dbraw/zinc/10/60/58/1297106058.db2.gz YXRQHUDEEZLLPV-GXRSIYKFSA-N 3 1 341.543 3.409 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311229010 1297106061 /nfs/dbraw/zinc/10/60/61/1297106061.db2.gz YXRQHUDEEZLLPV-GXRSIYKFSA-N 3 1 341.543 3.409 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2n2cncn2)c1 ZINC000340476873 1297314767 /nfs/dbraw/zinc/31/47/67/1297314767.db2.gz IPHTWASUMLPMAW-DBVUQKKJSA-N 2 1 341.503 3.249 20 0 EGADMP Cn1nnc2cc(C[N@H+]3CCC[C@@H](C[C@H]([NH3+])C4CCCC4)C3)ccc21 ZINC000873232005 1297371912 /nfs/dbraw/zinc/37/19/12/1297371912.db2.gz IWAFGSLSQCQKGA-YJBOKZPZSA-N 2 1 341.503 3.088 20 0 EGADMP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379654843 1297536424 /nfs/dbraw/zinc/53/64/24/1297536424.db2.gz KDKFUPBAQYUAGA-HSALFYBXSA-N 2 1 343.515 3.065 20 0 EGADMP COc1ccc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000383321200 1297570375 /nfs/dbraw/zinc/57/03/75/1297570375.db2.gz CNIFEFRJNNGZRU-FQEVSTJZSA-N 2 1 325.456 3.092 20 0 EGADMP COc1ccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000383321200 1297570383 /nfs/dbraw/zinc/57/03/83/1297570383.db2.gz CNIFEFRJNNGZRU-FQEVSTJZSA-N 2 1 325.456 3.092 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cn2ccccc2n1 ZINC000398124797 1297712851 /nfs/dbraw/zinc/71/28/51/1297712851.db2.gz HWMUCSCQBSAHSN-XLIONFOSSA-N 2 1 334.467 3.335 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cn2ccccc2n1 ZINC000398124800 1297713780 /nfs/dbraw/zinc/71/37/80/1297713780.db2.gz HWMUCSCQBSAHSN-YLJYHZDGSA-N 2 1 334.467 3.335 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000398153037 1297716120 /nfs/dbraw/zinc/71/61/20/1297716120.db2.gz PUVIKBFDCNMNDA-APWZRJJASA-N 2 1 338.451 3.416 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000398153037 1297716128 /nfs/dbraw/zinc/71/61/28/1297716128.db2.gz PUVIKBFDCNMNDA-APWZRJJASA-N 2 1 338.451 3.416 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000687673265 1298120000 /nfs/dbraw/zinc/12/00/00/1298120000.db2.gz SBRDPTRUIIDMON-VQHPVUNQSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000687673265 1298120007 /nfs/dbraw/zinc/12/00/07/1298120007.db2.gz SBRDPTRUIIDMON-VQHPVUNQSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000692150749 1298141009 /nfs/dbraw/zinc/14/10/09/1298141009.db2.gz GZGNRMRFUKESPH-OAGGEKHMSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000692150749 1298141013 /nfs/dbraw/zinc/14/10/13/1298141013.db2.gz GZGNRMRFUKESPH-OAGGEKHMSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc2c1OCO2 ZINC000708529800 1298240854 /nfs/dbraw/zinc/24/08/54/1298240854.db2.gz KUPXCEQCHALYSC-LPHOPBHVSA-N 2 1 338.451 3.273 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc2c1OCO2 ZINC000708529800 1298240859 /nfs/dbraw/zinc/24/08/59/1298240859.db2.gz KUPXCEQCHALYSC-LPHOPBHVSA-N 2 1 338.451 3.273 20 0 EGADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711105429 1298260127 /nfs/dbraw/zinc/26/01/27/1298260127.db2.gz HNNVRHDLMOFVKO-GCLMUHHRSA-N 2 1 343.515 3.014 20 0 EGADMP COc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715512790 1298279578 /nfs/dbraw/zinc/27/95/78/1298279578.db2.gz PDCGZRJUFXMBBB-LSDHHAIUSA-N 2 1 341.293 3.420 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000720142229 1298324413 /nfs/dbraw/zinc/32/44/13/1298324413.db2.gz KDIBNBTVQAVFFD-GFOJFJKKSA-N 2 1 328.500 3.446 20 0 EGADMP O[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccco1 ZINC000876916448 1299066701 /nfs/dbraw/zinc/06/67/01/1299066701.db2.gz BQHRNQMXGIBYNO-YTQUADARSA-N 2 1 326.440 3.271 20 0 EGADMP O[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccco1 ZINC000876916448 1299066710 /nfs/dbraw/zinc/06/67/10/1299066710.db2.gz BQHRNQMXGIBYNO-YTQUADARSA-N 2 1 326.440 3.271 20 0 EGADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2nc(Cl)cs2)c1 ZINC000876942531 1299079423 /nfs/dbraw/zinc/07/94/23/1299079423.db2.gz XGSOZAIYHMOCIV-UHFFFAOYSA-N 2 1 325.865 3.027 20 0 EGADMP c1ccc([C@@H]2C[C@@H](NCC[NH+]3CCCCC3)CC[N@H+]2C2CC2)cc1 ZINC000877145583 1299180356 /nfs/dbraw/zinc/18/03/56/1299180356.db2.gz MCYOZVPENMIMSP-FPOVZHCZSA-N 2 1 327.516 3.430 20 0 EGADMP ClC1(Cl)C[C@H]1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000877476865 1299327168 /nfs/dbraw/zinc/32/71/68/1299327168.db2.gz PPOYGYVDFFIABL-HOTGVXAUSA-N 2 1 343.298 3.061 20 0 EGADMP ClC1(Cl)C[C@H]1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000877476865 1299327177 /nfs/dbraw/zinc/32/71/77/1299327177.db2.gz PPOYGYVDFFIABL-HOTGVXAUSA-N 2 1 343.298 3.061 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(OCc4cccnc4)cc3)CC[C@H]21 ZINC000877741750 1299518204 /nfs/dbraw/zinc/51/82/04/1299518204.db2.gz BEPBTFAGSQTCBE-PZJWPPBQSA-N 2 1 337.467 3.187 20 0 EGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(OCc4cccnc4)cc3)CC[C@H]21 ZINC000877741750 1299518211 /nfs/dbraw/zinc/51/82/11/1299518211.db2.gz BEPBTFAGSQTCBE-PZJWPPBQSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(OCc4cccnc4)cc3)CC[C@H]21 ZINC000877741750 1299518216 /nfs/dbraw/zinc/51/82/16/1299518216.db2.gz BEPBTFAGSQTCBE-PZJWPPBQSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(OCc4cccnc4)cc3)CC[C@H]21 ZINC000877741750 1299518222 /nfs/dbraw/zinc/51/82/22/1299518222.db2.gz BEPBTFAGSQTCBE-PZJWPPBQSA-N 2 1 337.467 3.187 20 0 EGADMP Cc1cc(C)c(/C=C/C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000877746703 1299523079 /nfs/dbraw/zinc/52/30/79/1299523079.db2.gz GXKSXROWZHOIBW-AATRIKPKSA-N 2 1 341.543 3.337 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](CCCS(=O)(=O)C(C)(C)C)CC1 ZINC000877977309 1299681445 /nfs/dbraw/zinc/68/14/45/1299681445.db2.gz WKVOEOAEMPRHMX-UHFFFAOYSA-N 2 1 346.581 3.034 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CCCS(=O)(=O)C(C)(C)C)CC1 ZINC000877977309 1299681454 /nfs/dbraw/zinc/68/14/54/1299681454.db2.gz WKVOEOAEMPRHMX-UHFFFAOYSA-N 2 1 346.581 3.034 20 0 EGADMP O[C@H](C[NH2+][C@@H](Cc1ccccc1)c1cccs1)C[NH+]1CCCC1 ZINC000754370165 1300131671 /nfs/dbraw/zinc/13/16/71/1300131671.db2.gz WWYZJGAFBSWAFN-MSOLQXFVSA-N 2 1 330.497 3.078 20 0 EGADMP O[C@@H](C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)c1cccc2ccccc21 ZINC000878747595 1300173319 /nfs/dbraw/zinc/17/33/19/1300173319.db2.gz MKJHJMPRMDSECT-QFIPXVFZSA-N 2 1 347.462 3.481 20 0 EGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CCC4OCCCO4)C3)C2)cc1 ZINC000754659732 1300185649 /nfs/dbraw/zinc/18/56/49/1300185649.db2.gz LPBZORAFQPNZEB-OAQYLSRUSA-N 2 1 344.499 3.128 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CCC4OCCCO4)C3)C2)cc1 ZINC000754659732 1300185652 /nfs/dbraw/zinc/18/56/52/1300185652.db2.gz LPBZORAFQPNZEB-OAQYLSRUSA-N 2 1 344.499 3.128 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CCC4OCCCO4)C3)C2)cc1 ZINC000754659732 1300185658 /nfs/dbraw/zinc/18/56/58/1300185658.db2.gz LPBZORAFQPNZEB-OAQYLSRUSA-N 2 1 344.499 3.128 20 0 EGADMP Cn1c2ccccc2n(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755777635 1300394640 /nfs/dbraw/zinc/39/46/40/1300394640.db2.gz ILUUMFBVCBNCFT-INIZCTEOSA-N 2 1 344.528 3.330 20 0 EGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1noc(-c3ccccc3)n1)CC2 ZINC000879248885 1300453088 /nfs/dbraw/zinc/45/30/88/1300453088.db2.gz XPGVBDBSPWRPFD-UHFFFAOYSA-N 2 1 326.444 3.044 20 0 EGADMP Cc1ccc(NC(=O)C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000879249317 1300453298 /nfs/dbraw/zinc/45/32/98/1300453298.db2.gz MAQMCIGASCXXKN-UHFFFAOYSA-N 2 1 349.906 3.395 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@H]21 ZINC000879568889 1300607031 /nfs/dbraw/zinc/60/70/31/1300607031.db2.gz FICZXNNFGCNVES-TZIWHRDSSA-N 2 1 349.478 3.465 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@H]21 ZINC000879568889 1300607040 /nfs/dbraw/zinc/60/70/40/1300607040.db2.gz FICZXNNFGCNVES-TZIWHRDSSA-N 2 1 349.478 3.465 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@H]21 ZINC000879568889 1300607049 /nfs/dbraw/zinc/60/70/49/1300607049.db2.gz FICZXNNFGCNVES-TZIWHRDSSA-N 2 1 349.478 3.465 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@H]21 ZINC000879568889 1300607059 /nfs/dbraw/zinc/60/70/59/1300607059.db2.gz FICZXNNFGCNVES-TZIWHRDSSA-N 2 1 349.478 3.465 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@H]21 ZINC000879568889 1300607062 /nfs/dbraw/zinc/60/70/62/1300607062.db2.gz FICZXNNFGCNVES-TZIWHRDSSA-N 2 1 349.478 3.465 20 0 EGADMP C[N@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000759153999 1301028001 /nfs/dbraw/zinc/02/80/01/1301028001.db2.gz RDDCECKIFWTURY-MLGOLLRUSA-N 2 1 331.287 3.300 20 0 EGADMP C[N@@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000759153999 1301028011 /nfs/dbraw/zinc/02/80/11/1301028011.db2.gz RDDCECKIFWTURY-MLGOLLRUSA-N 2 1 331.287 3.300 20 0 EGADMP C[NH+](C[C@@H](O)c1ccc(Cl)cc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000759153999 1301028017 /nfs/dbraw/zinc/02/80/17/1301028017.db2.gz RDDCECKIFWTURY-MLGOLLRUSA-N 2 1 331.287 3.300 20 0 EGADMP C[NH+](C[C@@H](O)c1ccc(Cl)cc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000759153999 1301028024 /nfs/dbraw/zinc/02/80/24/1301028024.db2.gz RDDCECKIFWTURY-MLGOLLRUSA-N 2 1 331.287 3.300 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nccc3ccccc32)[C@H](C)C1 ZINC000765404763 1302260313 /nfs/dbraw/zinc/26/03/13/1302260313.db2.gz MSXCCPYPUVTACW-YLJYHZDGSA-N 2 1 341.499 3.461 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nccc3ccccc32)[C@H](C)C1 ZINC000765404763 1302260323 /nfs/dbraw/zinc/26/03/23/1302260323.db2.gz MSXCCPYPUVTACW-YLJYHZDGSA-N 2 1 341.499 3.461 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000883185471 1302293314 /nfs/dbraw/zinc/29/33/14/1302293314.db2.gz XLWHAUWQQMLRIH-UHFFFAOYSA-N 2 1 330.432 3.099 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C(C)C)[C@@H](C)C1 ZINC000765805507 1302332077 /nfs/dbraw/zinc/33/20/77/1302332077.db2.gz OAYWMUFGQVQUIP-DLBZAZTESA-N 2 1 341.540 3.342 20 0 EGADMP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000767369468 1302654283 /nfs/dbraw/zinc/65/42/83/1302654283.db2.gz FIUFIBHVJGXFRH-SJORKVTESA-N 2 1 339.524 3.192 20 0 EGADMP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000767369468 1302654293 /nfs/dbraw/zinc/65/42/93/1302654293.db2.gz FIUFIBHVJGXFRH-SJORKVTESA-N 2 1 339.524 3.192 20 0 EGADMP CCC[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000767369468 1302654301 /nfs/dbraw/zinc/65/43/01/1302654301.db2.gz FIUFIBHVJGXFRH-SJORKVTESA-N 2 1 339.524 3.192 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CCc2ccccc2F)cc1 ZINC000769030504 1303034425 /nfs/dbraw/zinc/03/44/25/1303034425.db2.gz SBORIYOZXLQJHJ-UHFFFAOYSA-N 2 1 330.447 3.441 20 0 EGADMP C[C@H](COCc1ccccc1)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000886081129 1303349589 /nfs/dbraw/zinc/34/95/89/1303349589.db2.gz JHEQMBMXAGXKMC-OYNPSCLESA-N 2 1 346.515 3.023 20 0 EGADMP CC1([NH+]2CCCC2)CCC([NH2+]Cc2nccc(C(F)(F)F)n2)CC1 ZINC000886625657 1303529945 /nfs/dbraw/zinc/52/99/45/1303529945.db2.gz WSOUFVIRTQCCQQ-UHFFFAOYSA-N 2 1 342.409 3.382 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@@H]3CCCN(CC(C)(C)C)C3=O)CC2)[nH+]c1C ZINC000886663412 1303544186 /nfs/dbraw/zinc/54/41/86/1303544186.db2.gz ZYBBYNFCJRUIER-QGZVFWFLSA-N 2 1 346.519 3.243 20 0 EGADMP CCc1ccc2c(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000886874491 1303622375 /nfs/dbraw/zinc/62/23/75/1303622375.db2.gz PAIXOGXAXJBNSF-OAQYLSRUSA-N 2 1 340.467 3.321 20 0 EGADMP CCc1ccc2c(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000886874491 1303622380 /nfs/dbraw/zinc/62/23/80/1303622380.db2.gz PAIXOGXAXJBNSF-OAQYLSRUSA-N 2 1 340.467 3.321 20 0 EGADMP C[C@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)CC[N@H+]1C ZINC000777299074 1304280677 /nfs/dbraw/zinc/28/06/77/1304280677.db2.gz AFPQPTBHIUCEPY-WMZOPIPTSA-N 2 1 330.520 3.112 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000777566642 1304319991 /nfs/dbraw/zinc/31/99/91/1304319991.db2.gz MRRRDEITVRVTBS-ROUUACIJSA-N 2 1 333.495 3.147 20 0 EGADMP CCC1(CC)CN(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)C(=O)O1 ZINC000778572440 1304468985 /nfs/dbraw/zinc/46/89/85/1304468985.db2.gz FAMPPJKDLDFRMR-UHFFFAOYSA-N 2 1 325.497 3.007 20 0 EGADMP CCC1(CC)CN(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)C(=O)O1 ZINC000778572440 1304468990 /nfs/dbraw/zinc/46/89/90/1304468990.db2.gz FAMPPJKDLDFRMR-UHFFFAOYSA-N 2 1 325.497 3.007 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000787022443 1305675346 /nfs/dbraw/zinc/67/53/46/1305675346.db2.gz GQBBLUAJPLEYNK-MRXNPFEDSA-N 2 1 328.859 3.365 20 0 EGADMP c1ccc2c(c1)CC[C@@H]2C[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000893343154 1305841604 /nfs/dbraw/zinc/84/16/04/1305841604.db2.gz FAPLGCHSZGZFQI-LJQANCHMSA-N 2 1 328.500 3.341 20 0 EGADMP Cc1cc(N2CCC([NH2+]Cc3cc(O)cc(Cl)c3)CC2)nc(C)[nH+]1 ZINC000893356075 1305847847 /nfs/dbraw/zinc/84/78/47/1305847847.db2.gz JDJIJDQPYTWBPV-UHFFFAOYSA-N 2 1 346.862 3.211 20 0 EGADMP C[C@@H]([NH2+]Cc1cnn(C)c1C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000893413551 1305881590 /nfs/dbraw/zinc/88/15/90/1305881590.db2.gz WKALUMMRVMKMAG-APWZRJJASA-N 2 1 338.499 3.298 20 0 EGADMP Cc1nc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)sc1C ZINC000893488349 1305921365 /nfs/dbraw/zinc/92/13/65/1305921365.db2.gz SUEQCNBAZGDDBO-SFHVURJKSA-N 2 1 345.512 3.006 20 0 EGADMP Cc1nc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)sc1C ZINC000893488349 1305921372 /nfs/dbraw/zinc/92/13/72/1305921372.db2.gz SUEQCNBAZGDDBO-SFHVURJKSA-N 2 1 345.512 3.006 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cnn(CC3CCC3)c2)cc1 ZINC000894455273 1308899060 /nfs/dbraw/zinc/89/90/60/1308899060.db2.gz BXTSQWBBVWIHEF-UHFFFAOYSA-N 2 1 326.488 3.377 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C)nc1C1CC1 ZINC000895693992 1309469117 /nfs/dbraw/zinc/46/91/17/1309469117.db2.gz OMOOGXYVVMEUMT-QFBILLFUSA-N 2 1 338.499 3.155 20 0 EGADMP CSc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)[NH+](C)C)cc1 ZINC000897863948 1310497993 /nfs/dbraw/zinc/49/79/93/1310497993.db2.gz JESRGUQZJJSXKR-IAGOWNOFSA-N 2 1 349.544 3.000 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000799178495 1310499834 /nfs/dbraw/zinc/49/98/34/1310499834.db2.gz WWKLTIPZZFOSKW-UHFFFAOYSA-N 2 1 327.394 3.408 20 0 EGADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc2c(c1)CCCO2 ZINC000799726893 1310606169 /nfs/dbraw/zinc/60/61/69/1310606169.db2.gz SNJPFOJADPOYPA-IBGZPJMESA-N 2 1 345.531 3.078 20 0 EGADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NCc3ccc4c[nH+]cn4c3)c2)C1 ZINC000857288889 1328526252 /nfs/dbraw/zinc/52/62/52/1328526252.db2.gz ULANIDCGLXTHNB-LJQANCHMSA-N 2 1 348.450 3.074 20 0 EGADMP C(CCCC[N@H+]1CCOCC12CC2)CCC[NH+]1CCOCC12CC2 ZINC000801980990 1316973924 /nfs/dbraw/zinc/97/39/24/1316973924.db2.gz GLKJWXGCPMHNPX-UHFFFAOYSA-N 2 1 336.520 3.057 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001018961764 1316988475 /nfs/dbraw/zinc/98/84/75/1316988475.db2.gz RKVHGWVFESKGRQ-UXHICEINSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1)C1CCC1 ZINC001018972631 1316991852 /nfs/dbraw/zinc/99/18/52/1316991852.db2.gz GTSNGLCTHFYAJG-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001019632505 1317310605 /nfs/dbraw/zinc/31/06/05/1317310605.db2.gz PEEYFLWOKKORIU-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC000957545472 1317440958 /nfs/dbraw/zinc/44/09/58/1317440958.db2.gz OBIOQOVUKJLNSU-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC3(CC2)CC[NH+](C(C)C)CC3)C1 ZINC000957592293 1317482559 /nfs/dbraw/zinc/48/25/59/1317482559.db2.gz WEPZFHWGAHJMPO-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000858167570 1328701913 /nfs/dbraw/zinc/70/19/13/1328701913.db2.gz VALGMKRWEKNFOL-NVXWUHKLSA-N 2 1 344.503 3.130 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](CN2Cc3ccccc3C2=O)CC1 ZINC000902137962 1317529875 /nfs/dbraw/zinc/52/98/75/1317529875.db2.gz HIIQSVWCSADDNM-UHFFFAOYSA-N 2 1 329.488 3.044 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CN2Cc3ccccc3C2=O)CC1 ZINC000902137962 1317529882 /nfs/dbraw/zinc/52/98/82/1317529882.db2.gz HIIQSVWCSADDNM-UHFFFAOYSA-N 2 1 329.488 3.044 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)ccc2NC)[C@@H](C)C1 ZINC000902245363 1317551898 /nfs/dbraw/zinc/55/18/98/1317551898.db2.gz QCKBUKBHOVHULV-PKOBYXMFSA-N 2 1 333.520 3.263 20 0 EGADMP CC[NH+](CC1CCCCC1)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000957691054 1317558615 /nfs/dbraw/zinc/55/86/15/1317558615.db2.gz ZLMHPOUMYAXFON-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC1CCCCC1)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000957691054 1317558620 /nfs/dbraw/zinc/55/86/20/1317558620.db2.gz ZLMHPOUMYAXFON-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001020144186 1317559332 /nfs/dbraw/zinc/55/93/32/1317559332.db2.gz TYVLJORJSXKZGK-CGBFIWBNSA-N 2 1 343.515 3.166 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020144197 1317560106 /nfs/dbraw/zinc/56/01/06/1317560106.db2.gz UMMOVNAWDRHVPN-GUDVDZBRSA-N 2 1 335.536 3.066 20 0 EGADMP C[C@]1(CN[C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000902384678 1317571364 /nfs/dbraw/zinc/57/13/64/1317571364.db2.gz UNTKLSZPKFUZNX-TZIWHRDSSA-N 2 1 329.532 3.266 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000902384678 1317571369 /nfs/dbraw/zinc/57/13/69/1317571369.db2.gz UNTKLSZPKFUZNX-TZIWHRDSSA-N 3 1 329.532 3.266 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000902384678 1317571372 /nfs/dbraw/zinc/57/13/72/1317571372.db2.gz UNTKLSZPKFUZNX-TZIWHRDSSA-N 3 1 329.532 3.266 20 0 EGADMP COc1ccc(C[C@@H]([NH2+]CC2([NH3+])CC2)c2ccc(OC)cc2)cc1 ZINC000902413124 1317576135 /nfs/dbraw/zinc/57/61/35/1317576135.db2.gz IWKCACZKBQWNQS-LJQANCHMSA-N 2 1 326.440 3.069 20 0 EGADMP CCC[N@H+](CN1C[C@@H](C)CC1=O)C1CCN(Cc2ccccc2)CC1 ZINC000902641103 1317601888 /nfs/dbraw/zinc/60/18/88/1317601888.db2.gz WNWHQAUYBRMEDO-SFHVURJKSA-N 2 1 343.515 3.189 20 0 EGADMP CCC[N@@H+](CN1C[C@@H](C)CC1=O)C1CCN(Cc2ccccc2)CC1 ZINC000902641103 1317601891 /nfs/dbraw/zinc/60/18/91/1317601891.db2.gz WNWHQAUYBRMEDO-SFHVURJKSA-N 2 1 343.515 3.189 20 0 EGADMP CC[N@@H+](CC1CC(C)C1)CC1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000957753519 1317621805 /nfs/dbraw/zinc/62/18/05/1317621805.db2.gz UEMYDHUJQHKTCR-FDYSRKEFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC1CC(C)C1)CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000957753519 1317621809 /nfs/dbraw/zinc/62/18/09/1317621809.db2.gz UEMYDHUJQHKTCR-FDYSRKEFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC1CC(C)C1)CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000957753519 1317621816 /nfs/dbraw/zinc/62/18/16/1317621816.db2.gz UEMYDHUJQHKTCR-FDYSRKEFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000957782568 1317644375 /nfs/dbraw/zinc/64/43/75/1317644375.db2.gz IYEYVTWVBDWSGH-QUCCMNQESA-N 2 1 343.515 3.075 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000957782568 1317644381 /nfs/dbraw/zinc/64/43/81/1317644381.db2.gz IYEYVTWVBDWSGH-QUCCMNQESA-N 2 1 343.515 3.075 20 0 EGADMP c1ccc(N2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903067361 1317647135 /nfs/dbraw/zinc/64/71/35/1317647135.db2.gz RYUKSUBIIJEPBY-IZBPLUDHSA-N 2 1 325.500 3.260 20 0 EGADMP c1ccc(CCOCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903071854 1317647482 /nfs/dbraw/zinc/64/74/82/1317647482.db2.gz BOVINUVSBSIFPZ-VCSGRIEYSA-N 2 1 328.500 3.383 20 0 EGADMP c1cn(-c2ccccc2)nc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903086505 1317651051 /nfs/dbraw/zinc/65/10/51/1317651051.db2.gz OEXYYDDTVIKJCF-PRJVBOEPSA-N 2 1 336.483 3.162 20 0 EGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C2 ZINC000903119490 1317656924 /nfs/dbraw/zinc/65/69/24/1317656924.db2.gz SGWACXNNKADCJH-LDFOPSEGSA-N 2 1 336.907 3.470 20 0 EGADMP CCOc1cccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000903118313 1317657372 /nfs/dbraw/zinc/65/73/72/1317657372.db2.gz XGBYOEONVFRPSM-IWUPYOBGSA-N 2 1 346.515 3.216 20 0 EGADMP COc1ccccc1OC[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903130329 1317660520 /nfs/dbraw/zinc/66/05/20/1317660520.db2.gz LVZDOFXXVGNXGK-WELJNPPOSA-N 2 1 344.499 3.458 20 0 EGADMP CC(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(=O)OC(C)(C)C ZINC000903197437 1317672708 /nfs/dbraw/zinc/67/27/08/1317672708.db2.gz YUTXNMGCTVCMIY-ONQFOCNCSA-N 2 1 336.520 3.348 20 0 EGADMP CCc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000903459689 1317702816 /nfs/dbraw/zinc/70/28/16/1317702816.db2.gz WVJHMMCBUPJLMN-LJQANCHMSA-N 2 1 349.482 3.290 20 0 EGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2COc3ccccc3[C@@H]2O)CC1 ZINC000808728801 1317724399 /nfs/dbraw/zinc/72/43/99/1317724399.db2.gz GPKPBFUQOAHSOT-CCMRYFRJSA-N 2 1 344.499 3.114 20 0 EGADMP Fc1ccc(C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)c(F)c1 ZINC000903725097 1317725464 /nfs/dbraw/zinc/72/54/64/1317725464.db2.gz WOQWDOCJCRAHSN-KRWDZBQOSA-N 2 1 336.426 3.088 20 0 EGADMP Fc1ccc(C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)c(F)c1 ZINC000903725097 1317725470 /nfs/dbraw/zinc/72/54/70/1317725470.db2.gz WOQWDOCJCRAHSN-KRWDZBQOSA-N 2 1 336.426 3.088 20 0 EGADMP Cc1ccccc1C[C@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729073 1317725762 /nfs/dbraw/zinc/72/57/62/1317725762.db2.gz JKFWFLFODOGECS-WOJBJXKFSA-N 2 1 328.500 3.161 20 0 EGADMP CC[C@@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC[C@H]1c1ccccc1 ZINC000903734953 1317726912 /nfs/dbraw/zinc/72/69/12/1317726912.db2.gz XVMLWJYZSLVEIM-PMXSJFBMSA-N 2 1 328.500 3.271 20 0 EGADMP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903734610 1317727408 /nfs/dbraw/zinc/72/74/08/1317727408.db2.gz SVMTVDZMSMPETP-ATZDWAIDSA-N 2 1 332.463 3.367 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001020499929 1317730832 /nfs/dbraw/zinc/73/08/32/1317730832.db2.gz INXQJHJYFMCZJX-UFYCRDLUSA-N 2 1 349.563 3.316 20 0 EGADMP CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903770827 1317731594 /nfs/dbraw/zinc/73/15/94/1317731594.db2.gz YYRJMJBATBJKLX-WSTZPKSXSA-N 2 1 332.463 3.162 20 0 EGADMP COc1cc(C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C2CC2)ccc1O ZINC000903903228 1317745938 /nfs/dbraw/zinc/74/59/38/1317745938.db2.gz HDTHICZPZYLJFD-UHFFFAOYSA-N 2 1 338.451 3.211 20 0 EGADMP COc1cc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1OC(F)F ZINC000903959425 1317757233 /nfs/dbraw/zinc/75/72/33/1317757233.db2.gz HWSPNMJZQPUEKB-SFHVURJKSA-N 2 1 340.414 3.262 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1OC(F)F ZINC000903959425 1317757242 /nfs/dbraw/zinc/75/72/42/1317757242.db2.gz HWSPNMJZQPUEKB-SFHVURJKSA-N 2 1 340.414 3.262 20 0 EGADMP C[C@@H](O)c1ncc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000809545110 1317828305 /nfs/dbraw/zinc/82/83/05/1317828305.db2.gz HKHPUZNDLGGDAO-OAHLLOKOSA-N 2 1 337.533 3.284 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904410313 1317843431 /nfs/dbraw/zinc/84/34/31/1317843431.db2.gz OFXAWEDURXQACM-IBGZPJMESA-N 2 1 326.488 3.027 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001020675805 1317852597 /nfs/dbraw/zinc/85/25/97/1317852597.db2.gz GKTGHPHPDFVWIM-AFYVEPGGSA-N 2 1 343.515 3.247 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904625118 1317872409 /nfs/dbraw/zinc/87/24/09/1317872409.db2.gz WQONEEPNGBJTOD-INIZCTEOSA-N 2 1 338.455 3.056 20 0 EGADMP CC(=O)Nc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809738587 1317884581 /nfs/dbraw/zinc/88/45/81/1317884581.db2.gz AHVWQWNNGMDGHS-UHFFFAOYSA-N 2 1 325.456 3.339 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@](C)(O)C(F)F ZINC000905044484 1317916741 /nfs/dbraw/zinc/91/67/41/1317916741.db2.gz COXLPYDXYXSTQN-RDTXWAMCSA-N 2 1 326.431 3.167 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000810254746 1317987746 /nfs/dbraw/zinc/98/77/46/1317987746.db2.gz QFCFXJXXQSPRLC-RBSFLKMASA-N 2 1 334.451 3.062 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000810254746 1317987758 /nfs/dbraw/zinc/98/77/58/1317987758.db2.gz QFCFXJXXQSPRLC-RBSFLKMASA-N 2 1 334.451 3.062 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001021091125 1318078759 /nfs/dbraw/zinc/07/87/59/1318078759.db2.gz RZMLZXAFGSLRBV-YOQCTACHSA-N 2 1 349.563 3.312 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001021096233 1318079823 /nfs/dbraw/zinc/07/98/23/1318079823.db2.gz KAROTXGKBAEPTM-CGBFIWBNSA-N 2 1 343.515 3.167 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000906885295 1318159872 /nfs/dbraw/zinc/15/98/72/1318159872.db2.gz JTTJDZMKBSZDRV-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCCC2)CC1 ZINC001021368455 1318214452 /nfs/dbraw/zinc/21/44/52/1318214452.db2.gz MLDWQODEPPEHFO-IHWFROFDSA-N 2 1 347.547 3.020 20 0 EGADMP CC1CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCC2)CC1 ZINC001021420888 1318242185 /nfs/dbraw/zinc/24/21/85/1318242185.db2.gz ZBLQQTYCNMKVDJ-IHWFROFDSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)C(=O)N(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)[C@@H]1C1CC1 ZINC000811733219 1318243456 /nfs/dbraw/zinc/24/34/56/1318243456.db2.gz KBNNWWVSGACSSB-LJQANCHMSA-N 2 1 347.547 3.179 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2=CCCCC2)CC[N@H+]1C ZINC000960007448 1318310098 /nfs/dbraw/zinc/31/00/98/1318310098.db2.gz GHUVACXQDHJHAR-SLFFLAALSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000960008430 1318310291 /nfs/dbraw/zinc/31/02/91/1318310291.db2.gz UDRUQKBOMKIWRL-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000960022006 1318316586 /nfs/dbraw/zinc/31/65/86/1318316586.db2.gz JRWBFTLPEOWECB-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC000960022969 1318317378 /nfs/dbraw/zinc/31/73/78/1318317378.db2.gz QPSDVFRSHYOIAV-PXNSSMCTSA-N 2 1 343.515 3.203 20 0 EGADMP CC[N@H+]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000910270449 1318590884 /nfs/dbraw/zinc/59/08/84/1318590884.db2.gz MUBYBERSXPZZSB-SFHVURJKSA-N 2 1 343.515 3.229 20 0 EGADMP Cc1cccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC000960686884 1318793070 /nfs/dbraw/zinc/79/30/70/1318793070.db2.gz JBQUQSZYESGFNR-PMACEKPBSA-N 2 1 345.531 3.004 20 0 EGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815143206 1318908826 /nfs/dbraw/zinc/90/88/26/1318908826.db2.gz GXEICZNJGWSACR-DLBZAZTESA-N 2 1 342.405 3.157 20 0 EGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815143206 1318908833 /nfs/dbraw/zinc/90/88/33/1318908833.db2.gz GXEICZNJGWSACR-DLBZAZTESA-N 2 1 342.405 3.157 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815143206 1318908840 /nfs/dbraw/zinc/90/88/40/1318908840.db2.gz GXEICZNJGWSACR-DLBZAZTESA-N 2 1 342.405 3.157 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815143206 1318908847 /nfs/dbraw/zinc/90/88/47/1318908847.db2.gz GXEICZNJGWSACR-DLBZAZTESA-N 2 1 342.405 3.157 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1)[NH+]1CCCCC1 ZINC000961029975 1319153767 /nfs/dbraw/zinc/15/37/67/1319153767.db2.gz ANNAWPDKJUDLLD-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)c1ccc2c[nH+]cn2c1 ZINC000816451947 1319159747 /nfs/dbraw/zinc/15/97/47/1319159747.db2.gz UFEKRERXWOOXFM-OXJNMPFZSA-N 2 1 349.434 3.402 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1)c1ccccc1 ZINC001023128915 1319276458 /nfs/dbraw/zinc/27/64/58/1319276458.db2.gz YPFMMOCRYOURDG-IYWMVGAKSA-N 2 1 343.515 3.249 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001023274427 1319407996 /nfs/dbraw/zinc/40/79/96/1319407996.db2.gz ZJHLCPBPCMVHSR-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001023274427 1319408001 /nfs/dbraw/zinc/40/80/01/1319408001.db2.gz ZJHLCPBPCMVHSR-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001023274427 1319408003 /nfs/dbraw/zinc/40/80/03/1319408003.db2.gz ZJHLCPBPCMVHSR-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)c2ccccc21 ZINC000817890412 1319451245 /nfs/dbraw/zinc/45/12/45/1319451245.db2.gz SZCAFAOJIMGGQL-ZACQAIPSSA-N 2 1 336.357 3.473 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)c2ccccc21 ZINC000817928906 1319463543 /nfs/dbraw/zinc/46/35/43/1319463543.db2.gz HUYJYTZVEFBGCK-BRWVUGGUSA-N 2 1 347.256 3.217 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2Br)c2ccccc21 ZINC000817936283 1319464707 /nfs/dbraw/zinc/46/47/07/1319464707.db2.gz RJPRNUDRSBGQQR-IKGGRYGDSA-N 2 1 347.256 3.217 20 0 EGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(Br)nc1 ZINC000817958455 1319477972 /nfs/dbraw/zinc/47/79/72/1319477972.db2.gz JTVODHHQFDRKJV-SMDDNHRTSA-N 2 1 326.282 3.402 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000817962859 1319479180 /nfs/dbraw/zinc/47/91/80/1319479180.db2.gz MDEMGOZTELATLT-QAPCUYQASA-N 2 1 330.476 3.108 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023402840 1319509722 /nfs/dbraw/zinc/50/97/22/1319509722.db2.gz UPQVXLZYMUPYKZ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001023402840 1319509732 /nfs/dbraw/zinc/50/97/32/1319509732.db2.gz UPQVXLZYMUPYKZ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001023402840 1319509738 /nfs/dbraw/zinc/50/97/38/1319509738.db2.gz UPQVXLZYMUPYKZ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC000961433728 1319587764 /nfs/dbraw/zinc/58/77/64/1319587764.db2.gz BUHBJBGRLWGRAN-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)c2c(F)cccc2F)C1 ZINC000818960399 1319590657 /nfs/dbraw/zinc/59/06/57/1319590657.db2.gz YXZKHNBBQDAJLK-PBHICJAKSA-N 2 1 326.431 3.100 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000818970267 1319596341 /nfs/dbraw/zinc/59/63/41/1319596341.db2.gz VTCOPDHWUIKNJL-INIZCTEOSA-N 2 1 328.859 3.365 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000818981766 1319603257 /nfs/dbraw/zinc/60/32/57/1319603257.db2.gz YOKJCNYMGZNQAH-CZUORRHYSA-N 2 1 330.394 3.060 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCC3CCCC3)C2)CC[N@H+]1C ZINC001023554857 1319665642 /nfs/dbraw/zinc/66/56/42/1319665642.db2.gz RLXDDRRYFWZTBL-IHPCNDPISA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CCC3CCCC3)C2)CC[NH+]1C ZINC001023554857 1319665653 /nfs/dbraw/zinc/66/56/53/1319665653.db2.gz RLXDDRRYFWZTBL-IHPCNDPISA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CCC3CCCC3)C2)CC[NH+]1C ZINC001023554857 1319665659 /nfs/dbraw/zinc/66/56/59/1319665659.db2.gz RLXDDRRYFWZTBL-IHPCNDPISA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001023560692 1319673147 /nfs/dbraw/zinc/67/31/47/1319673147.db2.gz ULBQNGKDRVDYLC-KRWDZBQOSA-N 2 1 349.519 3.219 20 0 EGADMP C[C@@]1(C[NH2+]C[C@@H](O)Cc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000819283395 1319688795 /nfs/dbraw/zinc/68/87/95/1319688795.db2.gz JXRJRYKQABQGLR-VXKWHMMOSA-N 2 1 338.495 3.092 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCC)C1 ZINC001023696982 1319822422 /nfs/dbraw/zinc/82/24/22/1319822422.db2.gz ZSDZRGREVJVZQG-OALUTQOASA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696982 1319822425 /nfs/dbraw/zinc/82/24/25/1319822425.db2.gz ZSDZRGREVJVZQG-OALUTQOASA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001023696982 1319822431 /nfs/dbraw/zinc/82/24/31/1319822431.db2.gz ZSDZRGREVJVZQG-OALUTQOASA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCC)C1 ZINC001023696983 1319823108 /nfs/dbraw/zinc/82/31/08/1319823108.db2.gz ZSDZRGREVJVZQG-RBUKOAKNSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696983 1319823115 /nfs/dbraw/zinc/82/31/15/1319823115.db2.gz ZSDZRGREVJVZQG-RBUKOAKNSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001023696983 1319823123 /nfs/dbraw/zinc/82/31/23/1319823123.db2.gz ZSDZRGREVJVZQG-RBUKOAKNSA-N 2 1 337.552 3.269 20 0 EGADMP OC[C@H]1C=C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000820814181 1319958732 /nfs/dbraw/zinc/95/87/32/1319958732.db2.gz GFLYPWXRAJDPPA-SPYJTGKRSA-N 2 1 326.484 3.099 20 0 EGADMP c1cc(N2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)cc[nH+]1 ZINC000820815291 1319959012 /nfs/dbraw/zinc/95/90/12/1319959012.db2.gz RGTWELJTXAERKY-PRJVBOEPSA-N 3 1 340.515 3.045 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000822455949 1320083916 /nfs/dbraw/zinc/08/39/16/1320083916.db2.gz NGBDAMNVNXKBFS-GVDBMIGSSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@@H+]1CCC[C@H]2C[NH+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000822692341 1320114636 /nfs/dbraw/zinc/11/46/36/1320114636.db2.gz YBFOLVWIZNOLET-JCURWCKSSA-N 2 1 343.298 3.443 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000822692341 1320114639 /nfs/dbraw/zinc/11/46/39/1320114639.db2.gz YBFOLVWIZNOLET-JCURWCKSSA-N 2 1 343.298 3.443 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000822692341 1320114641 /nfs/dbraw/zinc/11/46/41/1320114641.db2.gz YBFOLVWIZNOLET-JCURWCKSSA-N 2 1 343.298 3.443 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000822692341 1320114643 /nfs/dbraw/zinc/11/46/43/1320114643.db2.gz YBFOLVWIZNOLET-JCURWCKSSA-N 2 1 343.298 3.443 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000930574875 1328901368 /nfs/dbraw/zinc/90/13/68/1328901368.db2.gz QHJXEHFKFPSJEG-IBGZPJMESA-N 2 1 329.488 3.136 20 0 EGADMP C[C@@H]1CN(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C(=O)[C@H]1C ZINC000840025435 1321014314 /nfs/dbraw/zinc/01/43/14/1321014314.db2.gz CDTHSEHATSTFOT-SQNIBIBYSA-N 2 1 335.536 3.035 20 0 EGADMP C[C@@H]1CN(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C(=O)[C@H]1C ZINC000840025435 1321014317 /nfs/dbraw/zinc/01/43/17/1321014317.db2.gz CDTHSEHATSTFOT-SQNIBIBYSA-N 2 1 335.536 3.035 20 0 EGADMP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214835 1328948396 /nfs/dbraw/zinc/94/83/96/1328948396.db2.gz PCHZZYMWUVLHFU-PXNSSMCTSA-N 2 1 345.531 3.217 20 0 EGADMP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214835 1328948398 /nfs/dbraw/zinc/94/83/98/1328948398.db2.gz PCHZZYMWUVLHFU-PXNSSMCTSA-N 2 1 345.531 3.217 20 0 EGADMP CSCC[C@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000843173787 1321481687 /nfs/dbraw/zinc/48/16/87/1321481687.db2.gz SJWJICHANZDJKH-HNNXBMFYSA-N 2 1 332.473 3.085 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1SC(F)(F)F ZINC000843353195 1321503947 /nfs/dbraw/zinc/50/39/47/1321503947.db2.gz CWZFKBGYTPKCFY-JQWIXIFHSA-N 2 1 334.407 3.476 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1SC(F)(F)F ZINC000843353195 1321503954 /nfs/dbraw/zinc/50/39/54/1321503954.db2.gz CWZFKBGYTPKCFY-JQWIXIFHSA-N 2 1 334.407 3.476 20 0 EGADMP CCC[N@@H+](Cc1cc(=O)oc2c(C)c(C)ccc12)C1CC[NH2+]CC1 ZINC000843360944 1321506173 /nfs/dbraw/zinc/50/61/73/1321506173.db2.gz ZBBWUOITDFXHQY-UHFFFAOYSA-N 2 1 328.456 3.374 20 0 EGADMP CC(C)(C)c1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000843388698 1321510566 /nfs/dbraw/zinc/51/05/66/1321510566.db2.gz WJAPCULVUIHFCA-SJORKVTESA-N 2 1 343.515 3.244 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000844280904 1321584844 /nfs/dbraw/zinc/58/48/44/1321584844.db2.gz XTGOFXMFODVADH-CVEARBPZSA-N 2 1 345.314 3.043 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000844280904 1321584847 /nfs/dbraw/zinc/58/48/47/1321584847.db2.gz XTGOFXMFODVADH-CVEARBPZSA-N 2 1 345.314 3.043 20 0 EGADMP CC(C)(C)OC(=O)NCCC1CC([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000845979656 1321760683 /nfs/dbraw/zinc/76/06/83/1321760683.db2.gz AMCTVADYGSZVFV-UHFFFAOYSA-N 2 1 339.524 3.144 20 0 EGADMP CC(C)(C)OC(=O)NCCC1CC([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000845979656 1321760686 /nfs/dbraw/zinc/76/06/86/1321760686.db2.gz AMCTVADYGSZVFV-UHFFFAOYSA-N 2 1 339.524 3.144 20 0 EGADMP CCOC(=O)N1CCC([NH2+]CCC[N@@H+](CC)C2CCCCC2)CC1 ZINC000846021546 1321763223 /nfs/dbraw/zinc/76/32/23/1321763223.db2.gz CIQWQNAJYLIZLI-UHFFFAOYSA-N 2 1 339.524 3.242 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(Br)CC1 ZINC000846856738 1321817508 /nfs/dbraw/zinc/81/75/08/1321817508.db2.gz GLAOHKLMKIWYJW-ZBFHGGJFSA-N 2 1 337.305 3.414 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000848541342 1321972472 /nfs/dbraw/zinc/97/24/72/1321972472.db2.gz XKMIHSAKZVFDFU-SJORKVTESA-N 2 1 330.451 3.282 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(/C=C\C(=O)OC)o2)CC1 ZINC000848881731 1322027362 /nfs/dbraw/zinc/02/73/62/1322027362.db2.gz RNNNAYHAOFEQMM-HJWRWDBZSA-N 2 1 348.487 3.410 20 0 EGADMP C[C@H]1C[C@H](CCNC(=[NH2+])NC2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000848989175 1322056761 /nfs/dbraw/zinc/05/67/61/1322056761.db2.gz CSLRHPFBGAQMNW-WMZOPIPTSA-N 2 1 328.504 3.344 20 0 EGADMP CCc1ccc([C@H](CNC(=[NH2+])NCCc2ccccc2)[NH+](C)C)cc1 ZINC000849057689 1322061712 /nfs/dbraw/zinc/06/17/12/1322061712.db2.gz JDCYWQNGKCRKKH-FQEVSTJZSA-N 2 1 338.499 3.208 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(Cl)cc1Cl ZINC000849057857 1322061787 /nfs/dbraw/zinc/06/17/87/1322061787.db2.gz XKKPRWPPNUBEMR-CQSZACIVSA-N 2 1 343.302 3.134 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-c2ccccc2)o1 ZINC000849070122 1322066525 /nfs/dbraw/zinc/06/65/25/1322066525.db2.gz HLTINDXAAIKDNF-MRXNPFEDSA-N 2 1 326.444 3.045 20 0 EGADMP [NH2+]=C(NCCc1ccccc1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000849105854 1322079890 /nfs/dbraw/zinc/07/98/90/1322079890.db2.gz FXQRMLWPPVWSOA-LJQANCHMSA-N 2 1 328.504 3.140 20 0 EGADMP c1c2ccncc2sc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000850135735 1322197823 /nfs/dbraw/zinc/19/78/23/1322197823.db2.gz QBSYNEMMRUAKCF-MRXNPFEDSA-N 2 1 331.485 3.029 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000850400029 1322239695 /nfs/dbraw/zinc/23/96/95/1322239695.db2.gz XTCWBJPIKHCKEI-MRXNPFEDSA-N 2 1 340.254 3.278 20 0 EGADMP CCOC(=O)NC1CCC([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000850424380 1322245310 /nfs/dbraw/zinc/24/53/10/1322245310.db2.gz JKHOMJHSOLAOAF-OQSMONGASA-N 2 1 339.524 3.001 20 0 EGADMP CCCC[N@H+](Cc1cc(=O)c(O)co1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033596 1329034168 /nfs/dbraw/zinc/03/41/68/1329034168.db2.gz ISTSVOMBYDORLJ-UHFFFAOYSA-N 2 1 336.476 3.257 20 0 EGADMP CCCC[N@@H+](Cc1cc(=O)c(O)co1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033596 1329034171 /nfs/dbraw/zinc/03/41/71/1329034171.db2.gz ISTSVOMBYDORLJ-UHFFFAOYSA-N 2 1 336.476 3.257 20 0 EGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000923321628 1322734142 /nfs/dbraw/zinc/73/41/42/1322734142.db2.gz GIUOLQKRRRIQSG-ASJDWODUSA-N 3 1 333.564 3.351 20 0 EGADMP CC1CC[NH+](C[C@H]2CCCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000923321628 1322734144 /nfs/dbraw/zinc/73/41/44/1322734144.db2.gz GIUOLQKRRRIQSG-ASJDWODUSA-N 2 1 333.564 3.351 20 0 EGADMP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000924679573 1323110335 /nfs/dbraw/zinc/11/03/35/1323110335.db2.gz LDDIOLGRHLADKP-FUHIMQAGSA-N 2 1 343.515 3.065 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccccn1 ZINC000852019560 1323133495 /nfs/dbraw/zinc/13/34/95/1323133495.db2.gz ZQVVDGIHJSQVNC-UXHICEINSA-N 2 1 339.483 3.005 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccccn1 ZINC000852019560 1323133497 /nfs/dbraw/zinc/13/34/97/1323133497.db2.gz ZQVVDGIHJSQVNC-UXHICEINSA-N 2 1 339.483 3.005 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCN(OCc2ccccc2)CC1 ZINC000924948228 1323223885 /nfs/dbraw/zinc/22/38/85/1323223885.db2.gz BNLVFGDVVALJOX-KRWDZBQOSA-N 2 1 342.487 3.013 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCC1 ZINC001024460524 1323415906 /nfs/dbraw/zinc/41/59/06/1323415906.db2.gz CJSOWOQBZVLNEJ-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCC1 ZINC001024460524 1323415910 /nfs/dbraw/zinc/41/59/10/1323415910.db2.gz CJSOWOQBZVLNEJ-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1 ZINC001024469567 1323425050 /nfs/dbraw/zinc/42/50/50/1323425050.db2.gz SZGMWHMGWTZBSB-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024469567 1323425052 /nfs/dbraw/zinc/42/50/52/1323425052.db2.gz SZGMWHMGWTZBSB-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024469567 1323425056 /nfs/dbraw/zinc/42/50/56/1323425056.db2.gz SZGMWHMGWTZBSB-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCCC1 ZINC001024513426 1323463898 /nfs/dbraw/zinc/46/38/98/1323463898.db2.gz PTCCGYKDCCDACS-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCC1CCCC1 ZINC001024513426 1323463902 /nfs/dbraw/zinc/46/39/02/1323463902.db2.gz PTCCGYKDCCDACS-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCC1CCCC1 ZINC001024513426 1323463906 /nfs/dbraw/zinc/46/39/06/1323463906.db2.gz PTCCGYKDCCDACS-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP O=C(NC[C@@H]1CCCC[N@H+]1CCCC1CCC1)C12CCC[NH+]1CCC2 ZINC001024529974 1323476054 /nfs/dbraw/zinc/47/60/54/1323476054.db2.gz BCIANQZWWFPKLX-IBGZPJMESA-N 2 1 347.547 3.166 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024530016 1323476156 /nfs/dbraw/zinc/47/61/56/1323476156.db2.gz BLXRYFBRJWSCAW-KRWDZBQOSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCCC2CCC2)CC[N@H+]1C ZINC001024620487 1323548676 /nfs/dbraw/zinc/54/86/76/1323548676.db2.gz WCDDFNAKJVTFGG-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCCC2CCC2)CC[NH+]1C ZINC001024620487 1323548683 /nfs/dbraw/zinc/54/86/83/1323548683.db2.gz WCDDFNAKJVTFGG-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CCCC2CCC2)CC[NH+]1C ZINC001024620487 1323548689 /nfs/dbraw/zinc/54/86/89/1323548689.db2.gz WCDDFNAKJVTFGG-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CCC2CCCCC2)CC1 ZINC001024634758 1323560655 /nfs/dbraw/zinc/56/06/55/1323560655.db2.gz XQGXLSVRIADNIP-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001024961971 1323801792 /nfs/dbraw/zinc/80/17/92/1323801792.db2.gz GAGBDYWCMVGCFH-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432061 1329115607 /nfs/dbraw/zinc/11/56/07/1329115607.db2.gz WHMYIPIKWRRGHF-YESZJQIVSA-N 2 1 343.515 3.195 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432061 1329115611 /nfs/dbraw/zinc/11/56/11/1329115611.db2.gz WHMYIPIKWRRGHF-YESZJQIVSA-N 2 1 343.515 3.195 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432061 1329115616 /nfs/dbraw/zinc/11/56/16/1329115616.db2.gz WHMYIPIKWRRGHF-YESZJQIVSA-N 2 1 343.515 3.195 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432061 1329115617 /nfs/dbraw/zinc/11/56/17/1329115617.db2.gz WHMYIPIKWRRGHF-YESZJQIVSA-N 2 1 343.515 3.195 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432061 1329115621 /nfs/dbraw/zinc/11/56/21/1329115621.db2.gz WHMYIPIKWRRGHF-YESZJQIVSA-N 2 1 343.515 3.195 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2=CCCCC2)CC[N@H+]1C ZINC001025058609 1323861248 /nfs/dbraw/zinc/86/12/48/1323861248.db2.gz SDAVCRPFYYPCEA-YSIASYRMSA-N 2 1 347.547 3.188 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001025168761 1323937530 /nfs/dbraw/zinc/93/75/30/1323937530.db2.gz UQWGBJZJUDYKNZ-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025239861 1324033140 /nfs/dbraw/zinc/03/31/40/1324033140.db2.gz JQEQHJBEIAXMEO-OALUTQOASA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025239861 1324033147 /nfs/dbraw/zinc/03/31/47/1324033147.db2.gz JQEQHJBEIAXMEO-OALUTQOASA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025239861 1324033154 /nfs/dbraw/zinc/03/31/54/1324033154.db2.gz JQEQHJBEIAXMEO-OALUTQOASA-N 2 1 335.536 3.116 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253892 1324059423 /nfs/dbraw/zinc/05/94/23/1324059423.db2.gz XZLVBRUBFWXNKK-RTBURBONSA-N 2 1 344.503 3.003 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253892 1324059428 /nfs/dbraw/zinc/05/94/28/1324059428.db2.gz XZLVBRUBFWXNKK-RTBURBONSA-N 2 1 344.503 3.003 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025273925 1324090159 /nfs/dbraw/zinc/09/01/59/1324090159.db2.gz IEWLJGIQIILSFS-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2Cc1ccc(OCc2ccncc2)cc1 ZINC000931727714 1329172528 /nfs/dbraw/zinc/17/25/28/1329172528.db2.gz XCTUALWXLFGQBY-VQTJNVASSA-N 2 1 337.467 3.329 20 0 EGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2ccccc2[nH]1 ZINC000925133654 1325058989 /nfs/dbraw/zinc/05/89/89/1325058989.db2.gz QAYVFMQVURWPFP-VGOFRKELSA-N 2 1 349.478 3.456 20 0 EGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2ccccc2[nH]1 ZINC000925133654 1325059001 /nfs/dbraw/zinc/05/90/01/1325059001.db2.gz QAYVFMQVURWPFP-VGOFRKELSA-N 2 1 349.478 3.456 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000925285908 1325115090 /nfs/dbraw/zinc/11/50/90/1325115090.db2.gz RTCYZFVNIFXCME-UHFFFAOYSA-N 2 1 332.414 3.046 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000925457290 1325158776 /nfs/dbraw/zinc/15/87/76/1325158776.db2.gz RVBPGHPOGQCPKV-QGZVFWFLSA-N 2 1 326.431 3.098 20 0 EGADMP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)Oc1ccccc1C ZINC000925498485 1325178398 /nfs/dbraw/zinc/17/83/98/1325178398.db2.gz GUKBFRFWJHUMLJ-NXEWRWPSSA-N 2 1 346.515 3.384 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000963380817 1325182626 /nfs/dbraw/zinc/18/26/26/1325182626.db2.gz XFPUDOCUYXRXDZ-PMACEKPBSA-N 2 1 343.515 3.085 20 0 EGADMP CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963386784 1325186123 /nfs/dbraw/zinc/18/61/23/1325186123.db2.gz RDCPLIHWMCJHQR-IRXDYDNUSA-N 2 1 346.519 3.190 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963386784 1325186126 /nfs/dbraw/zinc/18/61/26/1325186126.db2.gz RDCPLIHWMCJHQR-IRXDYDNUSA-N 2 1 346.519 3.190 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963426455 1325234069 /nfs/dbraw/zinc/23/40/69/1325234069.db2.gz AXDHYZPRSBZACP-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925622358 1325235128 /nfs/dbraw/zinc/23/51/28/1325235128.db2.gz KOMBJMTWCZQAJG-LJQANCHMSA-N 2 1 327.472 3.142 20 0 EGADMP [NH3+]Cc1nc2c(s1)CC[N@@H+]([C@@H]1CCC[C@@H](c3cccnc3)C1)C2 ZINC000925752048 1325285138 /nfs/dbraw/zinc/28/51/38/1325285138.db2.gz RVHUVBZUEMHQGX-UKRRQHHQSA-N 2 1 328.485 3.081 20 0 EGADMP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@@H]1CCC[C@@H](c3cccnc3)C1)C2 ZINC000925752048 1325285142 /nfs/dbraw/zinc/28/51/42/1325285142.db2.gz RVHUVBZUEMHQGX-UKRRQHHQSA-N 2 1 328.485 3.081 20 0 EGADMP FC(F)(F)CN1CCC[C@@H]1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925835463 1325323056 /nfs/dbraw/zinc/32/30/56/1325323056.db2.gz PXOITVATYRDEPB-BBWFWOEESA-N 2 1 341.421 3.096 20 0 EGADMP CCC(CC)[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CCO1 ZINC000926110520 1325432486 /nfs/dbraw/zinc/43/24/86/1325432486.db2.gz WVFRZSCBHGYRSZ-DZJYIKFMSA-N 2 1 338.536 3.202 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc(C[S@@](C)=O)cc2)CC1 ZINC000926416432 1325545547 /nfs/dbraw/zinc/54/55/47/1325545547.db2.gz ARQLLUFJWCXJNW-HSZRJFAPSA-N 2 1 336.545 3.165 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857143995 1325580282 /nfs/dbraw/zinc/58/02/82/1325580282.db2.gz CVAXVNPHOZHAOX-UXHICEINSA-N 2 1 343.515 3.052 20 0 EGADMP CC[NH+]1CCC[C@H]1CN(C)C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857143995 1325580286 /nfs/dbraw/zinc/58/02/86/1325580286.db2.gz CVAXVNPHOZHAOX-UXHICEINSA-N 2 1 343.515 3.052 20 0 EGADMP CC[NH+]1CCC[C@H]1CN(C)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857143995 1325580292 /nfs/dbraw/zinc/58/02/92/1325580292.db2.gz CVAXVNPHOZHAOX-UXHICEINSA-N 2 1 343.515 3.052 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)CCC3CCCC3)C2)CC[N@H+]1C ZINC001027417606 1327643661 /nfs/dbraw/zinc/64/36/61/1327643661.db2.gz DDASRRJXHUZIMD-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@H+](C)CCC3CCCC3)C2)CC[NH+]1C ZINC001027417606 1327643667 /nfs/dbraw/zinc/64/36/67/1327643667.db2.gz DDASRRJXHUZIMD-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)CCC3CCCC3)C2)CC[NH+]1C ZINC001027417606 1327643678 /nfs/dbraw/zinc/64/36/78/1327643678.db2.gz DDASRRJXHUZIMD-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH+](C)CC2CCCC2)C1 ZINC001027442151 1327683156 /nfs/dbraw/zinc/68/31/56/1327683156.db2.gz BQJUZBAGOHJFTL-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC001027442151 1327683171 /nfs/dbraw/zinc/68/31/71/1327683171.db2.gz BQJUZBAGOHJFTL-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027442151 1327683176 /nfs/dbraw/zinc/68/31/76/1327683176.db2.gz BQJUZBAGOHJFTL-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027449049 1327689933 /nfs/dbraw/zinc/68/99/33/1327689933.db2.gz PXOVKTGPBKQGOI-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001027449049 1327689941 /nfs/dbraw/zinc/68/99/41/1327689941.db2.gz PXOVKTGPBKQGOI-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001027449049 1327689949 /nfs/dbraw/zinc/68/99/49/1327689949.db2.gz PXOVKTGPBKQGOI-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCCC2)C1)[NH+](C)C ZINC001027459836 1327703272 /nfs/dbraw/zinc/70/32/72/1327703272.db2.gz CUPNIOBJBPXTBK-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP C[N@@H+](CC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027466841 1327719657 /nfs/dbraw/zinc/71/96/57/1327719657.db2.gz YHHBGJKXGBXBCE-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001027466841 1327719665 /nfs/dbraw/zinc/71/96/65/1327719665.db2.gz YHHBGJKXGBXBCE-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001027466841 1327719673 /nfs/dbraw/zinc/71/96/73/1327719673.db2.gz YHHBGJKXGBXBCE-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](Cc1ccsc1)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027518990 1327789619 /nfs/dbraw/zinc/78/96/19/1327789619.db2.gz CJWLFBHORAOAFM-QGZVFWFLSA-N 2 1 349.544 3.045 20 0 EGADMP CC1CCC(C[N@@H+](C)[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001027555053 1327862988 /nfs/dbraw/zinc/86/29/88/1327862988.db2.gz BYUNAGAHQYHMKB-AFMYVXGZSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680547 1328079338 /nfs/dbraw/zinc/07/93/38/1328079338.db2.gz HFZZULYSUZIEKY-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027680547 1328079347 /nfs/dbraw/zinc/07/93/47/1328079347.db2.gz HFZZULYSUZIEKY-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027680547 1328079356 /nfs/dbraw/zinc/07/93/56/1328079356.db2.gz HFZZULYSUZIEKY-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCC1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027884488 1328351309 /nfs/dbraw/zinc/35/13/09/1328351309.db2.gz ADPDNEFXNKWUBJ-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CC1CCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027884488 1328351316 /nfs/dbraw/zinc/35/13/16/1328351316.db2.gz ADPDNEFXNKWUBJ-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CC1CCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027884488 1328351322 /nfs/dbraw/zinc/35/13/22/1328351322.db2.gz ADPDNEFXNKWUBJ-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885219 1328352739 /nfs/dbraw/zinc/35/27/39/1328352739.db2.gz BNMDCHOKDBSDDD-UYAOXDASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885219 1328352746 /nfs/dbraw/zinc/35/27/46/1328352746.db2.gz BNMDCHOKDBSDDD-UYAOXDASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885219 1328352755 /nfs/dbraw/zinc/35/27/55/1328352755.db2.gz BNMDCHOKDBSDDD-UYAOXDASSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885717 1328353284 /nfs/dbraw/zinc/35/32/84/1328353284.db2.gz IQILISKMKJVGIY-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885717 1328353293 /nfs/dbraw/zinc/35/32/93/1328353293.db2.gz IQILISKMKJVGIY-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885717 1328353304 /nfs/dbraw/zinc/35/33/04/1328353304.db2.gz IQILISKMKJVGIY-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCCC1 ZINC001027971832 1328444465 /nfs/dbraw/zinc/44/44/65/1328444465.db2.gz MWTNCVBQYJPKHP-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCCCC1 ZINC001027971832 1328444471 /nfs/dbraw/zinc/44/44/71/1328444471.db2.gz MWTNCVBQYJPKHP-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCCCC1 ZINC001027971832 1328444475 /nfs/dbraw/zinc/44/44/75/1328444475.db2.gz MWTNCVBQYJPKHP-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027982638 1328455372 /nfs/dbraw/zinc/45/53/72/1328455372.db2.gz SRSDOWQXALPSHX-QGZVFWFLSA-N 2 1 342.487 3.273 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001027986567 1328458214 /nfs/dbraw/zinc/45/82/14/1328458214.db2.gz YNQHLQQNCZQKJC-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001027986567 1328458217 /nfs/dbraw/zinc/45/82/17/1328458217.db2.gz YNQHLQQNCZQKJC-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001027986567 1328458221 /nfs/dbraw/zinc/45/82/21/1328458221.db2.gz YNQHLQQNCZQKJC-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)c2ccn3c[nH+]cc3c2)cc1 ZINC001028002776 1328465324 /nfs/dbraw/zinc/46/53/24/1328465324.db2.gz IIUGFMNZXKKVOU-IBGZPJMESA-N 2 1 348.450 3.037 20 0 EGADMP Cc1cccc(C[N@H+]2CCC[C@H]2CNC(=O)c2ccn3c[nH+]cc3c2)c1 ZINC001028003052 1328465552 /nfs/dbraw/zinc/46/55/52/1328465552.db2.gz KTGYKEKXWWVRBD-IBGZPJMESA-N 2 1 348.450 3.037 20 0 EGADMP c1c[nH+]c(CCc2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)[nH]1 ZINC000863950437 1329590949 /nfs/dbraw/zinc/59/09/49/1329590949.db2.gz SZFURLMQXGLHKG-UHFFFAOYSA-N 2 1 337.427 3.231 20 0 EGADMP CCCn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)nn1 ZINC000865436865 1329697131 /nfs/dbraw/zinc/69/71/31/1329697131.db2.gz RZPSMUZHYHFEPH-UHFFFAOYSA-N 2 1 341.503 3.354 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2c(Cl)cncc2Cl)C[C@H](C)O1 ZINC000865470856 1329701854 /nfs/dbraw/zinc/70/18/54/1329701854.db2.gz HVSYDZNGAIGBAZ-BETUJISGSA-N 2 1 346.302 3.367 20 0 EGADMP C[C@H](CC[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)[NH+]1CCCCC1 ZINC000865525896 1329709155 /nfs/dbraw/zinc/70/91/55/1329709155.db2.gz IOPPTNRWNGCHSV-GOSISDBHSA-N 2 1 343.515 3.277 20 0 EGADMP Cn1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(-c2cc(F)ccc2F)n1 ZINC000865600365 1329718318 /nfs/dbraw/zinc/71/83/18/1329718318.db2.gz KYSFFVXTEHELSF-AWEZNQCLSA-N 2 1 348.441 3.187 20 0 EGADMP Cc1[nH+]ccn1CCN1CCC[C@H]1c1cncc(Br)c1 ZINC000932248956 1329799973 /nfs/dbraw/zinc/79/99/73/1329799973.db2.gz AFSQBRIYFWWOSG-HNNXBMFYSA-N 2 1 335.249 3.186 20 0 EGADMP C[N@H+]1CCC[C@@H](CNC(=O)CC[NH2+]C(C)(C)C)[C@H]1c1cccs1 ZINC000933458283 1329890926 /nfs/dbraw/zinc/89/09/26/1329890926.db2.gz ZLOJDMPLKWFUTK-YOEHRIQHSA-N 2 1 337.533 3.025 20 0 EGADMP C[C@H]1C[C@H](N(C)C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1C ZINC000934072469 1329944103 /nfs/dbraw/zinc/94/41/03/1329944103.db2.gz GOCFIAQFQCYIAF-DOTOQJQBSA-N 2 1 345.491 3.018 20 0 EGADMP C[C@H]1C[C@H](N(C)C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1C ZINC000934072469 1329944106 /nfs/dbraw/zinc/94/41/06/1329944106.db2.gz GOCFIAQFQCYIAF-DOTOQJQBSA-N 2 1 345.491 3.018 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)CC1(C)OCCO1 ZINC000866424026 1330109800 /nfs/dbraw/zinc/10/98/00/1330109800.db2.gz FBFKRGJZDSLAHK-NLWGTHIKSA-N 2 1 346.515 3.276 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)CC1(C)OCCO1 ZINC000866424026 1330109801 /nfs/dbraw/zinc/10/98/01/1330109801.db2.gz FBFKRGJZDSLAHK-NLWGTHIKSA-N 2 1 346.515 3.276 20 0 EGADMP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000866666806 1330139803 /nfs/dbraw/zinc/13/98/03/1330139803.db2.gz XKOGIDPAZSCSND-PBHICJAKSA-N 2 1 349.906 3.439 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940747376 1331178237 /nfs/dbraw/zinc/17/82/37/1331178237.db2.gz IVCQFCDVVVXUJF-KRWDZBQOSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC[C@@H]2C1 ZINC000946902443 1332928749 /nfs/dbraw/zinc/92/87/49/1332928749.db2.gz PRWWZOJJRPXXRW-WTGUMLROSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CC1CC(C)(C)C1 ZINC000947492758 1333145764 /nfs/dbraw/zinc/14/57/64/1333145764.db2.gz NGZKIMWBIIZVRK-SJLPKXTDSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CC1=CCCCC1 ZINC000947493213 1333145789 /nfs/dbraw/zinc/14/57/89/1333145789.db2.gz QNAOVXSSFZLMLE-HKUYNNGSSA-N 2 1 345.531 3.084 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1=CCCCC1 ZINC000947615264 1333193202 /nfs/dbraw/zinc/19/32/02/1333193202.db2.gz GZNZSMDEYIUHKO-IEBWSBKVSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947723846 1333241371 /nfs/dbraw/zinc/24/13/71/1333241371.db2.gz YVSKAKPCVSRTPE-XLIONFOSSA-N 2 1 345.531 3.029 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CCC1CCCC1 ZINC000947726603 1333241796 /nfs/dbraw/zinc/24/17/96/1333241796.db2.gz RFHFKBZQBXYMBH-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CCC1CCCC1 ZINC000947726603 1333241797 /nfs/dbraw/zinc/24/17/97/1333241797.db2.gz RFHFKBZQBXYMBH-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CCC1CCCC1 ZINC000947726603 1333241801 /nfs/dbraw/zinc/24/18/01/1333241801.db2.gz RFHFKBZQBXYMBH-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)[C@@H](C)C1 ZINC000947771304 1333256255 /nfs/dbraw/zinc/25/62/55/1333256255.db2.gz JMTKDHYXIGRZIM-DLBZAZTESA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)[C@@H](C)C1 ZINC000947771304 1333256259 /nfs/dbraw/zinc/25/62/59/1333256259.db2.gz JMTKDHYXIGRZIM-DLBZAZTESA-N 2 1 348.535 3.412 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCC1CCCC1 ZINC000947776645 1333258773 /nfs/dbraw/zinc/25/87/73/1333258773.db2.gz XSYGYETYOMVHJN-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1CCC1CC1 ZINC000948056112 1333357460 /nfs/dbraw/zinc/35/74/60/1333357460.db2.gz HHHRRQWCSJNTGA-OXQOHEQNSA-N 2 1 343.515 3.131 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948064293 1333360459 /nfs/dbraw/zinc/36/04/59/1333360459.db2.gz AKCANKFOHJXPLZ-PKOBYXMFSA-N 2 1 345.531 3.377 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC(C)C)CC1 ZINC000948416308 1333516736 /nfs/dbraw/zinc/51/67/36/1333516736.db2.gz CMGOCOWPWXKNSI-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCC(C)C)CC1 ZINC000948416308 1333516740 /nfs/dbraw/zinc/51/67/40/1333516740.db2.gz CMGOCOWPWXKNSI-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCC(C)C)CC1 ZINC000948416308 1333516743 /nfs/dbraw/zinc/51/67/43/1333516743.db2.gz CMGOCOWPWXKNSI-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948434618 1333523298 /nfs/dbraw/zinc/52/32/98/1333523298.db2.gz DFEJMHVCKDKPLQ-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948434618 1333523300 /nfs/dbraw/zinc/52/33/00/1333523300.db2.gz DFEJMHVCKDKPLQ-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2ccsc2)CC1 ZINC000948553912 1333572152 /nfs/dbraw/zinc/57/21/52/1333572152.db2.gz OGDNUUCSIBAONY-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC000948553912 1333572154 /nfs/dbraw/zinc/57/21/54/1333572154.db2.gz OGDNUUCSIBAONY-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC000948553912 1333572155 /nfs/dbraw/zinc/57/21/55/1333572155.db2.gz OGDNUUCSIBAONY-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000948553823 1333572285 /nfs/dbraw/zinc/57/22/85/1333572285.db2.gz LWLMYVYEYQLPPD-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC000948553823 1333572286 /nfs/dbraw/zinc/57/22/86/1333572286.db2.gz LWLMYVYEYQLPPD-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC000948553823 1333572287 /nfs/dbraw/zinc/57/22/87/1333572287.db2.gz LWLMYVYEYQLPPD-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H](F)CC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948593428 1333588007 /nfs/dbraw/zinc/58/80/07/1333588007.db2.gz DUMNXSJKBSGHOI-DOTOQJQBSA-N 2 1 346.450 3.009 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](CC3CCCC3)CC2)CC[N@H+]1C ZINC000948717025 1333644689 /nfs/dbraw/zinc/64/46/89/1333644689.db2.gz KEGMOSASMWAEMN-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](CC3CCCC3)CC2)CC[NH+]1C ZINC000948717025 1333644693 /nfs/dbraw/zinc/64/46/93/1333644693.db2.gz KEGMOSASMWAEMN-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CC3CCCC3)CC2)CC[NH+]1C ZINC000948717025 1333644695 /nfs/dbraw/zinc/64/46/95/1333644695.db2.gz KEGMOSASMWAEMN-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)c1occc1C[NH+](C)C)[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948725620 1333648260 /nfs/dbraw/zinc/64/82/60/1333648260.db2.gz CIHPQZFUKUOTBK-GOSISDBHSA-N 2 1 347.503 3.068 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC000948739081 1333653701 /nfs/dbraw/zinc/65/37/01/1333653701.db2.gz XYCRHQDOYKWNOD-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CCC[NH+](CC3=CCCCC3)CC2)C1 ZINC000948778696 1333675836 /nfs/dbraw/zinc/67/58/36/1333675836.db2.gz BLXVPPVPNXELPL-UYAOXDASSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@H+](CC3=CCCCC3)CC2)C1 ZINC000948778696 1333675840 /nfs/dbraw/zinc/67/58/40/1333675840.db2.gz BLXVPPVPNXELPL-UYAOXDASSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@@H+](CC3=CCCCC3)CC2)C1 ZINC000948778696 1333675843 /nfs/dbraw/zinc/67/58/43/1333675843.db2.gz BLXVPPVPNXELPL-UYAOXDASSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H](C(=O)N(C)[C@@H]1CCC[N@@H+](CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC000948829472 1333701295 /nfs/dbraw/zinc/70/12/95/1333701295.db2.gz NOXZSOAQHXBEPN-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000948828966 1333701369 /nfs/dbraw/zinc/70/13/69/1333701369.db2.gz ALDWKLAYLRZKIS-OALUTQOASA-N 2 1 337.552 3.364 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC000948853759 1333709914 /nfs/dbraw/zinc/70/99/14/1333709914.db2.gz AAUKGRJTHZYOHQ-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000949043420 1333769784 /nfs/dbraw/zinc/76/97/84/1333769784.db2.gz SSVHSHNTGPOHNZ-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000949043420 1333769785 /nfs/dbraw/zinc/76/97/85/1333769785.db2.gz SSVHSHNTGPOHNZ-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000950708062 1334119313 /nfs/dbraw/zinc/11/93/13/1334119313.db2.gz KASGTRFDCQSHLM-LJQANCHMSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H](C(=O)N1CC[NH+](CCC2=CCCCC2)CC1)[NH+]1CCCCCC1 ZINC000951192314 1334203430 /nfs/dbraw/zinc/20/34/30/1334203430.db2.gz HJYZZGYCQVCQFO-IBGZPJMESA-N 2 1 347.547 3.286 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000951195445 1334203803 /nfs/dbraw/zinc/20/38/03/1334203803.db2.gz HHZQVRWYEVSILJ-QUCCMNQESA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000951195445 1334203806 /nfs/dbraw/zinc/20/38/06/1334203806.db2.gz HHZQVRWYEVSILJ-QUCCMNQESA-N 2 1 343.515 3.155 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCC1 ZINC000968882514 1336078943 /nfs/dbraw/zinc/07/89/43/1336078943.db2.gz PFZHEXYQXCTQSV-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCC1 ZINC000968882514 1336078944 /nfs/dbraw/zinc/07/89/44/1336078944.db2.gz PFZHEXYQXCTQSV-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCC1 ZINC000968882514 1336078948 /nfs/dbraw/zinc/07/89/48/1336078948.db2.gz PFZHEXYQXCTQSV-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968888045 1336080809 /nfs/dbraw/zinc/08/08/09/1336080809.db2.gz PYJSAYZSFLREBC-QZTJIDSGSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968888045 1336080812 /nfs/dbraw/zinc/08/08/12/1336080812.db2.gz PYJSAYZSFLREBC-QZTJIDSGSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968887870 1336080933 /nfs/dbraw/zinc/08/09/33/1336080933.db2.gz OBBBDJQKZDGTNE-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000968887870 1336080935 /nfs/dbraw/zinc/08/09/35/1336080935.db2.gz OBBBDJQKZDGTNE-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000968887870 1336080937 /nfs/dbraw/zinc/08/09/37/1336080937.db2.gz OBBBDJQKZDGTNE-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1Cc1ccccc1 ZINC000968920841 1336089843 /nfs/dbraw/zinc/08/98/43/1336089843.db2.gz ZQPJWUGELWWMNB-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1Cc1ccccc1 ZINC000968920841 1336089847 /nfs/dbraw/zinc/08/98/47/1336089847.db2.gz ZQPJWUGELWWMNB-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000968920841 1336089848 /nfs/dbraw/zinc/08/98/48/1336089848.db2.gz ZQPJWUGELWWMNB-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1ccccc1 ZINC000968920841 1336089852 /nfs/dbraw/zinc/08/98/52/1336089852.db2.gz ZQPJWUGELWWMNB-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936197 1336095993 /nfs/dbraw/zinc/09/59/93/1336095993.db2.gz CYJGBRDSDVMWCQ-NVXWUHKLSA-N 2 1 346.450 3.057 20 0 EGADMP O=C(NC[C@@H]1CCCCC[N@@H+]1C/C=C\Cl)c1ccn2c[nH+]cc2c1 ZINC000968936595 1336096626 /nfs/dbraw/zinc/09/66/26/1336096626.db2.gz LWQKPCKNHYWKLA-OUOZUETKSA-N 2 1 346.862 3.061 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CC1 ZINC000969108546 1336146835 /nfs/dbraw/zinc/14/68/35/1336146835.db2.gz FLUCTZNGZSEZEY-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CC1 ZINC000969108546 1336146836 /nfs/dbraw/zinc/14/68/36/1336146836.db2.gz FLUCTZNGZSEZEY-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CC1 ZINC000969108546 1336146838 /nfs/dbraw/zinc/14/68/38/1336146838.db2.gz FLUCTZNGZSEZEY-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC000969152173 1336163930 /nfs/dbraw/zinc/16/39/30/1336163930.db2.gz FJEBYESJVOLALA-QGZVFWFLSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCCCC[N@H+]1CCCF ZINC000969155862 1336165112 /nfs/dbraw/zinc/16/51/12/1336165112.db2.gz DOYKXXRMSNGGDT-SFHVURJKSA-N 2 1 349.494 3.082 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCCC2)C1 ZINC000969657242 1336233762 /nfs/dbraw/zinc/23/37/62/1336233762.db2.gz AQXWSPWTHLCGTQ-XLIONFOSSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326291 1336294696 /nfs/dbraw/zinc/29/46/96/1336294696.db2.gz PNGIUSJYSSJMDP-YLJYHZDGSA-N 2 1 347.547 3.186 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(OC)cc1Cl ZINC001205579225 1370798583 /nfs/dbraw/zinc/79/85/83/1370798583.db2.gz LGJHRWLLTSZMAA-INIZCTEOSA-N 2 1 330.831 3.010 20 0 EGADMP CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005581272 1336375113 /nfs/dbraw/zinc/37/51/13/1336375113.db2.gz KIPIQUPCRTVWKW-RBUKOAKNSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001005991523 1336435628 /nfs/dbraw/zinc/43/56/28/1336435628.db2.gz NWENJPIEDPVQFN-ROUUACIJSA-N 2 1 343.515 3.155 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001006442561 1336507143 /nfs/dbraw/zinc/50/71/43/1336507143.db2.gz JFOLIKAVXFWOIB-HXUWFJFHSA-N 2 1 347.547 3.284 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCCC2CCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001007619471 1336678981 /nfs/dbraw/zinc/67/89/81/1336678981.db2.gz NHJBYHOURWRWOG-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001007649656 1336684024 /nfs/dbraw/zinc/68/40/24/1336684024.db2.gz WMPMHPFBKBRVEY-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001007649656 1336684025 /nfs/dbraw/zinc/68/40/25/1336684025.db2.gz WMPMHPFBKBRVEY-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001007649656 1336684028 /nfs/dbraw/zinc/68/40/28/1336684028.db2.gz WMPMHPFBKBRVEY-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001007749086 1336694363 /nfs/dbraw/zinc/69/43/63/1336694363.db2.gz UPAOFTMOXIVVLT-MOPGFXCFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001007749086 1336694367 /nfs/dbraw/zinc/69/43/67/1336694367.db2.gz UPAOFTMOXIVVLT-MOPGFXCFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001007749086 1336694370 /nfs/dbraw/zinc/69/43/70/1336694370.db2.gz UPAOFTMOXIVVLT-MOPGFXCFSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(Br)c(F)c2)CCC[C@H]1C[NH3+] ZINC001206004394 1370935484 /nfs/dbraw/zinc/93/54/84/1370935484.db2.gz SAQFUASXUZSNSE-AAEUAGOBSA-N 2 1 329.257 3.395 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001008161853 1336782336 /nfs/dbraw/zinc/78/23/36/1336782336.db2.gz IHGWQVGVZFHSKX-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1)[NH+]1CCCC1 ZINC001008166036 1336783175 /nfs/dbraw/zinc/78/31/75/1336783175.db2.gz YBNSNDIZBCJRSR-GOSISDBHSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CCC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001008278262 1336812606 /nfs/dbraw/zinc/81/26/06/1336812606.db2.gz WUQGCAWSGDKCCQ-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CC2CCC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001008278262 1336812607 /nfs/dbraw/zinc/81/26/07/1336812607.db2.gz WUQGCAWSGDKCCQ-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CC2CCC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001008278262 1336812609 /nfs/dbraw/zinc/81/26/09/1336812609.db2.gz WUQGCAWSGDKCCQ-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008299046 1336817905 /nfs/dbraw/zinc/81/79/05/1336817905.db2.gz MDQVYZZVRACFBX-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008299046 1336817907 /nfs/dbraw/zinc/81/79/07/1336817907.db2.gz MDQVYZZVRACFBX-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008299046 1336817909 /nfs/dbraw/zinc/81/79/09/1336817909.db2.gz MDQVYZZVRACFBX-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1Br ZINC001205996109 1370933039 /nfs/dbraw/zinc/93/30/39/1370933039.db2.gz UURPDAHKVCRVMK-OCCSQVGLSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001008553600 1336880246 /nfs/dbraw/zinc/88/02/46/1336880246.db2.gz VMMHPRHUDGJJFE-PKOBYXMFSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001008553600 1336880248 /nfs/dbraw/zinc/88/02/48/1336880248.db2.gz VMMHPRHUDGJJFE-PKOBYXMFSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001008553600 1336880250 /nfs/dbraw/zinc/88/02/50/1336880250.db2.gz VMMHPRHUDGJJFE-PKOBYXMFSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001008771714 1336924040 /nfs/dbraw/zinc/92/40/40/1336924040.db2.gz UZOXAWVJQKMMCK-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001008771714 1336924043 /nfs/dbraw/zinc/92/40/43/1336924043.db2.gz UZOXAWVJQKMMCK-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001008771714 1336924046 /nfs/dbraw/zinc/92/40/46/1336924046.db2.gz UZOXAWVJQKMMCK-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001008974561 1336951500 /nfs/dbraw/zinc/95/15/00/1336951500.db2.gz MWNOVSBRAXIKCF-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)C)C1 ZINC001009167888 1336979934 /nfs/dbraw/zinc/97/99/34/1336979934.db2.gz JYRBUOXZDMFEGP-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC001009167888 1336979936 /nfs/dbraw/zinc/97/99/36/1336979936.db2.gz JYRBUOXZDMFEGP-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001009167888 1336979938 /nfs/dbraw/zinc/97/99/38/1336979938.db2.gz JYRBUOXZDMFEGP-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001009168916 1336980838 /nfs/dbraw/zinc/98/08/38/1336980838.db2.gz NAWWYCWVMQRYBM-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001009168916 1336980840 /nfs/dbraw/zinc/98/08/40/1336980840.db2.gz NAWWYCWVMQRYBM-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001009633999 1337050616 /nfs/dbraw/zinc/05/06/16/1337050616.db2.gz IAUFVXVOMRIVHR-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001009633999 1337050619 /nfs/dbraw/zinc/05/06/19/1337050619.db2.gz IAUFVXVOMRIVHR-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001009633999 1337050622 /nfs/dbraw/zinc/05/06/22/1337050622.db2.gz IAUFVXVOMRIVHR-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC=C(C)C)C2)o1 ZINC001009682407 1337059572 /nfs/dbraw/zinc/05/95/72/1337059572.db2.gz NNOOPMFWNPBBEM-KRWDZBQOSA-N 2 1 347.503 3.282 20 0 EGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1c[nH]c2cccc(Br)c12 ZINC001206769308 1371158931 /nfs/dbraw/zinc/15/89/31/1371158931.db2.gz OJQHHEHSIARIDK-NWDGAFQWSA-N 2 1 336.277 3.490 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014627393 1337852436 /nfs/dbraw/zinc/85/24/36/1337852436.db2.gz HAWXIUZBPXLAJS-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001014627393 1337852438 /nfs/dbraw/zinc/85/24/38/1337852438.db2.gz HAWXIUZBPXLAJS-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001014627393 1337852444 /nfs/dbraw/zinc/85/24/44/1337852444.db2.gz HAWXIUZBPXLAJS-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001015056102 1338004032 /nfs/dbraw/zinc/00/40/32/1338004032.db2.gz GOURKUSYQLKSHS-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001015056102 1338004034 /nfs/dbraw/zinc/00/40/34/1338004034.db2.gz GOURKUSYQLKSHS-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001015056102 1338004035 /nfs/dbraw/zinc/00/40/35/1338004035.db2.gz GOURKUSYQLKSHS-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001015056674 1338004664 /nfs/dbraw/zinc/00/46/64/1338004664.db2.gz HRKKGUGPEPPVNG-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001015056674 1338004669 /nfs/dbraw/zinc/00/46/69/1338004669.db2.gz HRKKGUGPEPPVNG-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001015056674 1338004672 /nfs/dbraw/zinc/00/46/72/1338004672.db2.gz HRKKGUGPEPPVNG-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CC2CCCCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001015386418 1338119617 /nfs/dbraw/zinc/11/96/17/1338119617.db2.gz HJZKFYNJQWKQDB-VQTJNVASSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC001015782022 1338307551 /nfs/dbraw/zinc/30/75/51/1338307551.db2.gz UWSFTNPZGTYEEO-ABHNRTSZSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC001015782022 1338307552 /nfs/dbraw/zinc/30/75/52/1338307552.db2.gz UWSFTNPZGTYEEO-ABHNRTSZSA-N 2 1 346.519 3.023 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCCC3CCC3)C2)cc1 ZINC001015858354 1338335611 /nfs/dbraw/zinc/33/56/11/1338335611.db2.gz ODFGGCULDSHXHT-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001016339913 1338555769 /nfs/dbraw/zinc/55/57/69/1338555769.db2.gz SFXFAZQTTUYLJE-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001016339913 1338555773 /nfs/dbraw/zinc/55/57/73/1338555773.db2.gz SFXFAZQTTUYLJE-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001016339913 1338555776 /nfs/dbraw/zinc/55/57/76/1338555776.db2.gz SFXFAZQTTUYLJE-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC23CC[NH+](CCC(C)C)CC3)C1 ZINC001016788806 1338728099 /nfs/dbraw/zinc/72/80/99/1338728099.db2.gz DOLJBSWZMMENAR-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](C(C)C)CC2 ZINC001016922453 1338770636 /nfs/dbraw/zinc/77/06/36/1338770636.db2.gz CVVGZMHLKRYULV-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001017142646 1338894717 /nfs/dbraw/zinc/89/47/17/1338894717.db2.gz QDVFWEORRJRUGH-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001017142646 1338894720 /nfs/dbraw/zinc/89/47/20/1338894720.db2.gz QDVFWEORRJRUGH-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001017142646 1338894722 /nfs/dbraw/zinc/89/47/22/1338894722.db2.gz QDVFWEORRJRUGH-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)C(C)C)C1 ZINC001017247232 1338977766 /nfs/dbraw/zinc/97/77/66/1338977766.db2.gz VFGDPMZINRFVDO-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)C(C)C)C1 ZINC001017247232 1338977768 /nfs/dbraw/zinc/97/77/68/1338977768.db2.gz VFGDPMZINRFVDO-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)C(C)C)C1 ZINC001017247232 1338977769 /nfs/dbraw/zinc/97/77/69/1338977769.db2.gz VFGDPMZINRFVDO-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP Cc1nc[nH]c1CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001017254313 1338984601 /nfs/dbraw/zinc/98/46/01/1338984601.db2.gz QTUMJIBOIQTXKQ-SFHVURJKSA-N 2 1 346.519 3.011 20 0 EGADMP CC(C)(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018051367 1339490533 /nfs/dbraw/zinc/49/05/33/1339490533.db2.gz GAIQFBNDGNIUGS-YRXWBPOGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001018051367 1339490535 /nfs/dbraw/zinc/49/05/35/1339490535.db2.gz GAIQFBNDGNIUGS-YRXWBPOGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001018051367 1339490536 /nfs/dbraw/zinc/49/05/36/1339490536.db2.gz GAIQFBNDGNIUGS-YRXWBPOGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028092673 1340420308 /nfs/dbraw/zinc/42/03/08/1340420308.db2.gz BMXVGOISHBWQCN-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028092673 1340420310 /nfs/dbraw/zinc/42/03/10/1340420310.db2.gz BMXVGOISHBWQCN-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028092673 1340420312 /nfs/dbraw/zinc/42/03/12/1340420312.db2.gz BMXVGOISHBWQCN-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028092674 1340420346 /nfs/dbraw/zinc/42/03/46/1340420346.db2.gz BMXVGOISHBWQCN-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028092674 1340420348 /nfs/dbraw/zinc/42/03/48/1340420348.db2.gz BMXVGOISHBWQCN-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028092674 1340420351 /nfs/dbraw/zinc/42/03/51/1340420351.db2.gz BMXVGOISHBWQCN-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1=CCCCC1 ZINC001028181016 1340470804 /nfs/dbraw/zinc/47/08/04/1340470804.db2.gz LVUQHUTWTIVAMX-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001028181016 1340470806 /nfs/dbraw/zinc/47/08/06/1340470806.db2.gz LVUQHUTWTIVAMX-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001028181016 1340470810 /nfs/dbraw/zinc/47/08/10/1340470810.db2.gz LVUQHUTWTIVAMX-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CCC3CCCCC3)C2)CC[N@H+]1C ZINC001028552920 1340697969 /nfs/dbraw/zinc/69/79/69/1340697969.db2.gz VXWGULWAJGYPOX-HSALFYBXSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001028552920 1340697972 /nfs/dbraw/zinc/69/79/72/1340697972.db2.gz VXWGULWAJGYPOX-HSALFYBXSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001028552920 1340697975 /nfs/dbraw/zinc/69/79/75/1340697975.db2.gz VXWGULWAJGYPOX-HSALFYBXSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001028579544 1340712763 /nfs/dbraw/zinc/71/27/63/1340712763.db2.gz GVJXYJVDILSPQK-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001028579544 1340712765 /nfs/dbraw/zinc/71/27/65/1340712765.db2.gz GVJXYJVDILSPQK-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001028579544 1340712769 /nfs/dbraw/zinc/71/27/69/1340712769.db2.gz GVJXYJVDILSPQK-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001028635810 1340737955 /nfs/dbraw/zinc/73/79/55/1340737955.db2.gz GUGOVUJLHSHIJX-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001028635810 1340737956 /nfs/dbraw/zinc/73/79/56/1340737956.db2.gz GUGOVUJLHSHIJX-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001028635810 1340737957 /nfs/dbraw/zinc/73/79/57/1340737957.db2.gz GUGOVUJLHSHIJX-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001028647699 1340741817 /nfs/dbraw/zinc/74/18/17/1340741817.db2.gz MBXXZAWKUGPVDJ-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001028647699 1340741820 /nfs/dbraw/zinc/74/18/20/1340741820.db2.gz MBXXZAWKUGPVDJ-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001028647699 1340741823 /nfs/dbraw/zinc/74/18/23/1340741823.db2.gz MBXXZAWKUGPVDJ-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001028646804 1340742316 /nfs/dbraw/zinc/74/23/16/1340742316.db2.gz AUNBHFAGRJKYNG-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001028646804 1340742320 /nfs/dbraw/zinc/74/23/20/1340742320.db2.gz AUNBHFAGRJKYNG-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001028646804 1340742323 /nfs/dbraw/zinc/74/23/23/1340742323.db2.gz AUNBHFAGRJKYNG-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(NC[C@@H]1CC[N@@H+](CC2CCC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028756056 1340791396 /nfs/dbraw/zinc/79/13/96/1340791396.db2.gz ZTDYNBQMGVHABO-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CC[NH+](CC2CCC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028756056 1340791399 /nfs/dbraw/zinc/79/13/99/1340791399.db2.gz ZTDYNBQMGVHABO-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CC[NH+](CC2CCC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028756056 1340791403 /nfs/dbraw/zinc/79/14/03/1340791403.db2.gz ZTDYNBQMGVHABO-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001028755570 1340791776 /nfs/dbraw/zinc/79/17/76/1340791776.db2.gz RZWDPELUZFCIGJ-WOJBJXKFSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CC[N@H+](CCC3CCCC3)C2)C1 ZINC001028755570 1340791779 /nfs/dbraw/zinc/79/17/79/1340791779.db2.gz RZWDPELUZFCIGJ-WOJBJXKFSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001028755570 1340791783 /nfs/dbraw/zinc/79/17/83/1340791783.db2.gz RZWDPELUZFCIGJ-WOJBJXKFSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001029306040 1340969807 /nfs/dbraw/zinc/96/98/07/1340969807.db2.gz FFLMWPLKGYKHJG-HSALFYBXSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001029306040 1340969808 /nfs/dbraw/zinc/96/98/08/1340969808.db2.gz FFLMWPLKGYKHJG-HSALFYBXSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001029306040 1340969809 /nfs/dbraw/zinc/96/98/09/1340969809.db2.gz FFLMWPLKGYKHJG-HSALFYBXSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001029339428 1340974126 /nfs/dbraw/zinc/97/41/26/1340974126.db2.gz XFDIBOFYGQULAK-GBESFXJTSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001029339428 1340974127 /nfs/dbraw/zinc/97/41/27/1340974127.db2.gz XFDIBOFYGQULAK-GBESFXJTSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001029339428 1340974128 /nfs/dbraw/zinc/97/41/28/1340974128.db2.gz XFDIBOFYGQULAK-GBESFXJTSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1)[NH+]1CCCC1 ZINC001029420117 1340986273 /nfs/dbraw/zinc/98/62/73/1340986273.db2.gz WTYKFSDFJQZFMD-KDURUIRLSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCCC2)C1)[NH+](C)C ZINC001029767609 1341066540 /nfs/dbraw/zinc/06/65/40/1341066540.db2.gz VVFNBEQFYUZIGR-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1)[NH+]1CCCC1 ZINC001029910451 1341113585 /nfs/dbraw/zinc/11/35/85/1341113585.db2.gz LUFABTAKDVXSSD-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029910626 1341113806 /nfs/dbraw/zinc/11/38/06/1341113806.db2.gz STHLVVAOQLRHSY-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029910626 1341113807 /nfs/dbraw/zinc/11/38/07/1341113807.db2.gz STHLVVAOQLRHSY-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029910626 1341113808 /nfs/dbraw/zinc/11/38/08/1341113808.db2.gz STHLVVAOQLRHSY-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CC1CCCCC1)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001029973449 1341139979 /nfs/dbraw/zinc/13/99/79/1341139979.db2.gz BWZQXEYONUOUMG-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001029973449 1341139981 /nfs/dbraw/zinc/13/99/81/1341139981.db2.gz BWZQXEYONUOUMG-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001029973449 1341139983 /nfs/dbraw/zinc/13/99/83/1341139983.db2.gz BWZQXEYONUOUMG-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CC(NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001030445453 1341188128 /nfs/dbraw/zinc/18/81/28/1341188128.db2.gz ZYNQQEASYVBGFH-FXAWDEMLSA-N 2 1 343.515 3.119 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CC(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001030445453 1341188129 /nfs/dbraw/zinc/18/81/29/1341188129.db2.gz ZYNQQEASYVBGFH-FXAWDEMLSA-N 2 1 343.515 3.119 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001030512449 1341193221 /nfs/dbraw/zinc/19/32/21/1341193221.db2.gz WRMYNRTYBMYSNI-UHFFFAOYSA-N 2 1 347.547 3.023 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCCC2CCC2)C1 ZINC001031235169 1341301435 /nfs/dbraw/zinc/30/14/35/1341301435.db2.gz PFIGNZQSPYQATQ-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCCC2CCC2)C1 ZINC001031235169 1341301438 /nfs/dbraw/zinc/30/14/38/1341301438.db2.gz PFIGNZQSPYQATQ-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCCC1)[NH+]1CCCC1 ZINC001032557837 1341539493 /nfs/dbraw/zinc/53/94/93/1341539493.db2.gz SWUZYOBXRPCSCN-OALUTQOASA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001032664796 1341576044 /nfs/dbraw/zinc/57/60/44/1341576044.db2.gz SKRMQTYUVRPTJS-ROUUACIJSA-N 2 1 346.519 3.118 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001032664796 1341576046 /nfs/dbraw/zinc/57/60/46/1341576046.db2.gz SKRMQTYUVRPTJS-ROUUACIJSA-N 2 1 346.519 3.118 20 0 EGADMP C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CCCCC1)[NH+]1CCCCCC1 ZINC001032664698 1341576118 /nfs/dbraw/zinc/57/61/18/1341576118.db2.gz OCSCHVZPYKHBIT-IHPCNDPISA-N 2 1 345.531 3.036 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033126394 1341733885 /nfs/dbraw/zinc/73/38/85/1341733885.db2.gz MPFKEOXISOXBJC-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033126394 1341733887 /nfs/dbraw/zinc/73/38/87/1341733887.db2.gz MPFKEOXISOXBJC-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033126394 1341733889 /nfs/dbraw/zinc/73/38/89/1341733889.db2.gz MPFKEOXISOXBJC-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033231056 1341755607 /nfs/dbraw/zinc/75/56/07/1341755607.db2.gz ZVIUWWODQYNZSR-SFHVURJKSA-N 2 1 340.471 3.061 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC3=CCCCC3)C2)C1 ZINC001033354044 1341793967 /nfs/dbraw/zinc/79/39/67/1341793967.db2.gz LXYMZRIRXXODQZ-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001033354044 1341793968 /nfs/dbraw/zinc/79/39/68/1341793968.db2.gz LXYMZRIRXXODQZ-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001033354044 1341793969 /nfs/dbraw/zinc/79/39/69/1341793969.db2.gz LXYMZRIRXXODQZ-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3CCCCC3)C2)CC[N@H+]1C ZINC001033358281 1341795414 /nfs/dbraw/zinc/79/54/14/1341795414.db2.gz KHRTXYSYWHGKFO-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001033358281 1341795416 /nfs/dbraw/zinc/79/54/16/1341795416.db2.gz KHRTXYSYWHGKFO-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001033358281 1341795419 /nfs/dbraw/zinc/79/54/19/1341795419.db2.gz KHRTXYSYWHGKFO-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033416996 1341820815 /nfs/dbraw/zinc/82/08/15/1341820815.db2.gz SYWXBKCTLQKCSN-IEBWSBKVSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001033416996 1341820817 /nfs/dbraw/zinc/82/08/17/1341820817.db2.gz SYWXBKCTLQKCSN-IEBWSBKVSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033416996 1341820820 /nfs/dbraw/zinc/82/08/20/1341820820.db2.gz SYWXBKCTLQKCSN-IEBWSBKVSA-N 2 1 343.515 3.012 20 0 EGADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033427030 1341822178 /nfs/dbraw/zinc/82/21/78/1341822178.db2.gz XDEVHNNUTVNXEW-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033427030 1341822179 /nfs/dbraw/zinc/82/21/79/1341822179.db2.gz XDEVHNNUTVNXEW-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033427030 1341822180 /nfs/dbraw/zinc/82/21/80/1341822180.db2.gz XDEVHNNUTVNXEW-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001033466275 1341837182 /nfs/dbraw/zinc/83/71/82/1341837182.db2.gz CVHNESUQDLBTEO-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC3CCC(C)(C)CC3)[C@@H]2C)CC[N@H+]1C ZINC001074661840 1356221793 /nfs/dbraw/zinc/22/17/93/1356221793.db2.gz NWULNSVZNVDERW-JFRXWTBNSA-N 2 1 349.563 3.122 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001033825144 1342026098 /nfs/dbraw/zinc/02/60/98/1342026098.db2.gz AQOSHLBKFWAMIR-ROUUACIJSA-N 2 1 349.544 3.044 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033825144 1342026100 /nfs/dbraw/zinc/02/61/00/1342026100.db2.gz AQOSHLBKFWAMIR-ROUUACIJSA-N 2 1 349.544 3.044 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033825144 1342026102 /nfs/dbraw/zinc/02/61/02/1342026102.db2.gz AQOSHLBKFWAMIR-ROUUACIJSA-N 2 1 349.544 3.044 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CCC3CCCC3)C2)CC[N@H+]1C ZINC001033834432 1342034178 /nfs/dbraw/zinc/03/41/78/1342034178.db2.gz GGBDKVMUFVMZBG-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@H+](CCC3CCCC3)C2)CC[NH+]1C ZINC001033834432 1342034179 /nfs/dbraw/zinc/03/41/79/1342034179.db2.gz GGBDKVMUFVMZBG-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@@H+](CCC3CCCC3)C2)CC[NH+]1C ZINC001033834432 1342034181 /nfs/dbraw/zinc/03/41/81/1342034181.db2.gz GGBDKVMUFVMZBG-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CCCC3CCC3)C2)CC[N@H+]1C ZINC001033835398 1342034459 /nfs/dbraw/zinc/03/44/59/1342034459.db2.gz PGKPXLOOHRVEAC-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@H+](CCCC3CCC3)C2)CC[NH+]1C ZINC001033835398 1342034463 /nfs/dbraw/zinc/03/44/63/1342034463.db2.gz PGKPXLOOHRVEAC-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@@H+](CCCC3CCC3)C2)CC[NH+]1C ZINC001033835398 1342034466 /nfs/dbraw/zinc/03/44/66/1342034466.db2.gz PGKPXLOOHRVEAC-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033935758 1342098577 /nfs/dbraw/zinc/09/85/77/1342098577.db2.gz ICIFYNJLUMRFSY-BZSNNMDCSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033935758 1342098580 /nfs/dbraw/zinc/09/85/80/1342098580.db2.gz ICIFYNJLUMRFSY-BZSNNMDCSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033935758 1342098585 /nfs/dbraw/zinc/09/85/85/1342098585.db2.gz ICIFYNJLUMRFSY-BZSNNMDCSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)CC1 ZINC001075459152 1356392460 /nfs/dbraw/zinc/39/24/60/1356392460.db2.gz ZUZJZYNLWAZHRP-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC001075459152 1356392464 /nfs/dbraw/zinc/39/24/64/1356392464.db2.gz ZUZJZYNLWAZHRP-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)CC1 ZINC001075459152 1356392468 /nfs/dbraw/zinc/39/24/68/1356392468.db2.gz ZUZJZYNLWAZHRP-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCCCC2)C1 ZINC001034130535 1342259969 /nfs/dbraw/zinc/25/99/69/1342259969.db2.gz IGEHBUXFIGDXFR-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CCCCCC2)C1 ZINC001034130535 1342259972 /nfs/dbraw/zinc/25/99/72/1342259972.db2.gz IGEHBUXFIGDXFR-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCCCC2)C1 ZINC001034130535 1342259975 /nfs/dbraw/zinc/25/99/75/1342259975.db2.gz IGEHBUXFIGDXFR-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034203610 1342313583 /nfs/dbraw/zinc/31/35/83/1342313583.db2.gz FUUPVPOYTQXQHC-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034203610 1342313587 /nfs/dbraw/zinc/31/35/87/1342313587.db2.gz FUUPVPOYTQXQHC-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034203610 1342313591 /nfs/dbraw/zinc/31/35/91/1342313591.db2.gz FUUPVPOYTQXQHC-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034204305 1342314805 /nfs/dbraw/zinc/31/48/05/1342314805.db2.gz LQHGXCYWERFAMU-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001034204305 1342314806 /nfs/dbraw/zinc/31/48/06/1342314806.db2.gz LQHGXCYWERFAMU-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001034204305 1342314808 /nfs/dbraw/zinc/31/48/08/1342314808.db2.gz LQHGXCYWERFAMU-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034229354 1342333830 /nfs/dbraw/zinc/33/38/30/1342333830.db2.gz OQWHAAZEXUIXLK-MRXNPFEDSA-N 2 1 337.533 3.194 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034229354 1342333833 /nfs/dbraw/zinc/33/38/33/1342333833.db2.gz OQWHAAZEXUIXLK-MRXNPFEDSA-N 2 1 337.533 3.194 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034271517 1342361894 /nfs/dbraw/zinc/36/18/94/1342361894.db2.gz OITRPVWWMQBUTP-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CCCCC2)C1 ZINC001034271517 1342361898 /nfs/dbraw/zinc/36/18/98/1342361898.db2.gz OITRPVWWMQBUTP-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001034271517 1342361901 /nfs/dbraw/zinc/36/19/01/1342361901.db2.gz OITRPVWWMQBUTP-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290063 1342376354 /nfs/dbraw/zinc/37/63/54/1342376354.db2.gz DMRBXXVTCRTVJE-SFHVURJKSA-N 2 1 342.487 3.355 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331148 1342406127 /nfs/dbraw/zinc/40/61/27/1342406127.db2.gz RYDRCRYSQKJKMT-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](CCC3CCCCC3)C2)C1 ZINC001034394296 1342462767 /nfs/dbraw/zinc/46/27/67/1342462767.db2.gz KVXRQTUIVWLHTL-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CCC3CCCCC3)C2)C1 ZINC001034394296 1342462769 /nfs/dbraw/zinc/46/27/69/1342462769.db2.gz KVXRQTUIVWLHTL-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001034394296 1342462772 /nfs/dbraw/zinc/46/27/72/1342462772.db2.gz KVXRQTUIVWLHTL-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034397751 1342464459 /nfs/dbraw/zinc/46/44/59/1342464459.db2.gz LEBPRZBGKVVDIC-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034397751 1342464461 /nfs/dbraw/zinc/46/44/61/1342464461.db2.gz LEBPRZBGKVVDIC-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034397751 1342464465 /nfs/dbraw/zinc/46/44/65/1342464465.db2.gz LEBPRZBGKVVDIC-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](CCCC3CCC3)C2)C1 ZINC001034397204 1342464709 /nfs/dbraw/zinc/46/47/09/1342464709.db2.gz JJCJFDHWHMIJHA-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CCCC3CCC3)C2)C1 ZINC001034397204 1342464712 /nfs/dbraw/zinc/46/47/12/1342464712.db2.gz JJCJFDHWHMIJHA-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CCCC3CCC3)C2)C1 ZINC001034397204 1342464714 /nfs/dbraw/zinc/46/47/14/1342464714.db2.gz JJCJFDHWHMIJHA-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034398128 1342465523 /nfs/dbraw/zinc/46/55/23/1342465523.db2.gz MHRLDBJLCCLXDW-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](CCCC2CCCC2)C1 ZINC001034398128 1342465526 /nfs/dbraw/zinc/46/55/26/1342465526.db2.gz MHRLDBJLCCLXDW-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](CCCC2CCCC2)C1 ZINC001034398128 1342465529 /nfs/dbraw/zinc/46/55/29/1342465529.db2.gz MHRLDBJLCCLXDW-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034436717 1342499481 /nfs/dbraw/zinc/49/94/81/1342499481.db2.gz BIDAUIVKDILVGI-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001034612565 1342647881 /nfs/dbraw/zinc/64/78/81/1342647881.db2.gz SXQJYQXSAGXMAX-CGBFIWBNSA-N 2 1 343.515 3.167 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001034738651 1342730139 /nfs/dbraw/zinc/73/01/39/1342730139.db2.gz VIBUBVZTSYIKDW-LEAZDLGRSA-N 2 1 349.563 3.172 20 0 EGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001034958787 1342853313 /nfs/dbraw/zinc/85/33/13/1342853313.db2.gz LZRHODAFDCDKGM-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001034959438 1342853504 /nfs/dbraw/zinc/85/35/04/1342853504.db2.gz YTMXPKNVLMUECL-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001034979451 1342863060 /nfs/dbraw/zinc/86/30/60/1342863060.db2.gz RZBQHVOVYKIWNF-GOSISDBHSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035184556 1342998643 /nfs/dbraw/zinc/99/86/43/1342998643.db2.gz MIILZBXRPPPXQQ-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)CC2 ZINC001035187123 1343001270 /nfs/dbraw/zinc/00/12/70/1343001270.db2.gz QYWLWHQCWWUSRS-KRWDZBQOSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)CC2 ZINC001035187123 1343001275 /nfs/dbraw/zinc/00/12/75/1343001275.db2.gz QYWLWHQCWWUSRS-KRWDZBQOSA-N 2 1 346.519 3.121 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)CC2 ZINC001035192965 1343006837 /nfs/dbraw/zinc/00/68/37/1343006837.db2.gz RURKZDYSKMBRGI-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035192965 1343006839 /nfs/dbraw/zinc/00/68/39/1343006839.db2.gz RURKZDYSKMBRGI-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001035192965 1343006844 /nfs/dbraw/zinc/00/68/44/1343006844.db2.gz RURKZDYSKMBRGI-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035725574 1343154292 /nfs/dbraw/zinc/15/42/92/1343154292.db2.gz ZFPNEANDTZKYOL-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035858741 1343235240 /nfs/dbraw/zinc/23/52/40/1343235240.db2.gz YPKQDSOHKYYMCQ-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036717092 1343649034 /nfs/dbraw/zinc/64/90/34/1343649034.db2.gz PRRIFKYQVLGTJZ-OALUTQOASA-N 2 1 347.547 3.140 20 0 EGADMP C[NH+]1CCC(CC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCC(C)(C)C)C2)CC1 ZINC001036836873 1343776449 /nfs/dbraw/zinc/77/64/49/1343776449.db2.gz YVJAMSARZQXRCJ-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001037250309 1344068898 /nfs/dbraw/zinc/06/88/98/1344068898.db2.gz BIQYGSNJHZPALC-RBUKOAKNSA-N 2 1 346.519 3.036 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038238172 1344338032 /nfs/dbraw/zinc/33/80/32/1344338032.db2.gz GELFNAXEQKLXSB-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCCC1 ZINC001038238172 1344338036 /nfs/dbraw/zinc/33/80/36/1344338036.db2.gz GELFNAXEQKLXSB-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001038238172 1344338041 /nfs/dbraw/zinc/33/80/41/1344338041.db2.gz GELFNAXEQKLXSB-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC001038314127 1344375243 /nfs/dbraw/zinc/37/52/43/1344375243.db2.gz HPCDJPFNXYCJFE-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001038314127 1344375245 /nfs/dbraw/zinc/37/52/45/1344375245.db2.gz HPCDJPFNXYCJFE-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001038320199 1344378993 /nfs/dbraw/zinc/37/89/93/1344378993.db2.gz HGXYLUYJENJQSG-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001038320199 1344378997 /nfs/dbraw/zinc/37/89/97/1344378997.db2.gz HGXYLUYJENJQSG-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001038320199 1344379000 /nfs/dbraw/zinc/37/90/00/1344379000.db2.gz HGXYLUYJENJQSG-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1c(C(=O)NC[C@@H]2CC[N@H+]2CC2CCCCC2)ccc2c[nH+]cn21 ZINC001038431027 1344425315 /nfs/dbraw/zinc/42/53/15/1344425315.db2.gz GLCDAJHMSJEGCB-KRWDZBQOSA-N 2 1 340.471 3.027 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CCCC1CCCC1)c1ccn2c[nH+]cc2c1 ZINC001038462186 1344434724 /nfs/dbraw/zinc/43/47/24/1344434724.db2.gz KPPIMHFIKYTFFD-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001038777853 1344580933 /nfs/dbraw/zinc/58/09/33/1344580933.db2.gz CTDQFCXZEFIOAH-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001038777853 1344580935 /nfs/dbraw/zinc/58/09/35/1344580935.db2.gz CTDQFCXZEFIOAH-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCCC1CCCC1 ZINC001038777853 1344580936 /nfs/dbraw/zinc/58/09/36/1344580936.db2.gz CTDQFCXZEFIOAH-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCC1 ZINC001038783394 1344581973 /nfs/dbraw/zinc/58/19/73/1344581973.db2.gz WYWIGMLYWJMFDM-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCC1 ZINC001038783394 1344581976 /nfs/dbraw/zinc/58/19/76/1344581976.db2.gz WYWIGMLYWJMFDM-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCC1 ZINC001038783394 1344581979 /nfs/dbraw/zinc/58/19/79/1344581979.db2.gz WYWIGMLYWJMFDM-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001039047262 1344733097 /nfs/dbraw/zinc/73/30/97/1344733097.db2.gz CMESKBRBMWUFGE-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001039047262 1344733098 /nfs/dbraw/zinc/73/30/98/1344733098.db2.gz CMESKBRBMWUFGE-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCC1 ZINC001039047262 1344733101 /nfs/dbraw/zinc/73/31/01/1344733101.db2.gz CMESKBRBMWUFGE-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140519 1344820542 /nfs/dbraw/zinc/82/05/42/1344820542.db2.gz GPJQCACLWQJMCM-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039140519 1344820546 /nfs/dbraw/zinc/82/05/46/1344820546.db2.gz GPJQCACLWQJMCM-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039140519 1344820549 /nfs/dbraw/zinc/82/05/49/1344820549.db2.gz GPJQCACLWQJMCM-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039205095 1344916084 /nfs/dbraw/zinc/91/60/84/1344916084.db2.gz KHMBJYTYVOJOHA-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039205095 1344916089 /nfs/dbraw/zinc/91/60/89/1344916089.db2.gz KHMBJYTYVOJOHA-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039205095 1344916093 /nfs/dbraw/zinc/91/60/93/1344916093.db2.gz KHMBJYTYVOJOHA-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001039232126 1344952060 /nfs/dbraw/zinc/95/20/60/1344952060.db2.gz SZSSIOTVZJTPGJ-WOJBJXKFSA-N 2 1 343.515 3.085 20 0 EGADMP CCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039234373 1344955139 /nfs/dbraw/zinc/95/51/39/1344955139.db2.gz IZXSWCLUVOGIRJ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001039473981 1345088553 /nfs/dbraw/zinc/08/85/53/1345088553.db2.gz LJSDOXOOTQVJGJ-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001039473981 1345088554 /nfs/dbraw/zinc/08/85/54/1345088554.db2.gz LJSDOXOOTQVJGJ-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001039473981 1345088555 /nfs/dbraw/zinc/08/85/55/1345088555.db2.gz LJSDOXOOTQVJGJ-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCC1 ZINC001039643778 1345152575 /nfs/dbraw/zinc/15/25/75/1345152575.db2.gz BBZYHHCEHNTXHH-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001039643778 1345152579 /nfs/dbraw/zinc/15/25/79/1345152579.db2.gz BBZYHHCEHNTXHH-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001039643778 1345152583 /nfs/dbraw/zinc/15/25/83/1345152583.db2.gz BBZYHHCEHNTXHH-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCCCC1)[NH+](C)C ZINC001039920433 1345245545 /nfs/dbraw/zinc/24/55/45/1345245545.db2.gz XSDOOWJNUARDKJ-ZCNNSNEGSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](C)c1ccccc1)[NH+](C)C ZINC001039919528 1345245801 /nfs/dbraw/zinc/24/58/01/1345245801.db2.gz CSIPGDLNPAMKNX-FFGOWVMKSA-N 2 1 343.515 3.153 20 0 EGADMP CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccccc1)[NH+](C)C ZINC001039919528 1345245807 /nfs/dbraw/zinc/24/58/07/1345245807.db2.gz CSIPGDLNPAMKNX-FFGOWVMKSA-N 2 1 343.515 3.153 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC(C)C ZINC001039969560 1345271374 /nfs/dbraw/zinc/27/13/74/1345271374.db2.gz MFUHKLKQKKINNO-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(C)C ZINC001039969560 1345271380 /nfs/dbraw/zinc/27/13/80/1345271380.db2.gz MFUHKLKQKKINNO-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)C ZINC001039969560 1345271385 /nfs/dbraw/zinc/27/13/85/1345271385.db2.gz MFUHKLKQKKINNO-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](C(C)C)C2 ZINC001040211707 1345377697 /nfs/dbraw/zinc/37/76/97/1345377697.db2.gz YHLGKOHTTYZEQG-FXAWDEMLSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040211707 1345377701 /nfs/dbraw/zinc/37/77/01/1345377701.db2.gz YHLGKOHTTYZEQG-FXAWDEMLSA-N 2 1 346.519 3.120 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@]2(C1)CCC[NH+](CCC(C)(C)C)C2)C1CCC1 ZINC001040240460 1345390525 /nfs/dbraw/zinc/39/05/25/1345390525.db2.gz GOJQOXXQLPSYHM-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC(C)(C)C)C2)C1CCC1 ZINC001040240460 1345390526 /nfs/dbraw/zinc/39/05/26/1345390526.db2.gz GOJQOXXQLPSYHM-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC(C)(C)C)C2)C1CCC1 ZINC001040240460 1345390530 /nfs/dbraw/zinc/39/05/30/1345390530.db2.gz GOJQOXXQLPSYHM-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430341 1345493216 /nfs/dbraw/zinc/49/32/16/1345493216.db2.gz AWWVHGCVVDTKBA-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040543938 1345539068 /nfs/dbraw/zinc/53/90/68/1345539068.db2.gz RUBCSADKYLXMPP-PZJWPPBQSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)CC1 ZINC001040744956 1345573127 /nfs/dbraw/zinc/57/31/27/1345573127.db2.gz FPBNOABKBDIBTA-RBUKOAKNSA-N 2 1 347.547 3.118 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040914222 1345599102 /nfs/dbraw/zinc/59/91/02/1345599102.db2.gz MGDMMMOCJRDUFA-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CCC3CCCCC3)C2)C1)[NH+](C)C ZINC001041404889 1345719406 /nfs/dbraw/zinc/71/94/06/1345719406.db2.gz XGTDEHRLASEWPW-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041722863 1345831419 /nfs/dbraw/zinc/83/14/19/1345831419.db2.gz BSNBRJVVBYEAKD-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041722863 1345831420 /nfs/dbraw/zinc/83/14/20/1345831420.db2.gz BSNBRJVVBYEAKD-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041722863 1345831421 /nfs/dbraw/zinc/83/14/21/1345831421.db2.gz BSNBRJVVBYEAKD-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041726442 1345833541 /nfs/dbraw/zinc/83/35/41/1345833541.db2.gz YLSHUBNMGJJAFF-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847125 1345871869 /nfs/dbraw/zinc/87/18/69/1345871869.db2.gz JCMFEWOKLOIBGR-FPOVZHCZSA-N 2 1 343.515 3.014 20 0 EGADMP CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847125 1345871870 /nfs/dbraw/zinc/87/18/70/1345871870.db2.gz JCMFEWOKLOIBGR-FPOVZHCZSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]21 ZINC001042373941 1346062413 /nfs/dbraw/zinc/06/24/13/1346062413.db2.gz FKWGRLDYYCDTTJ-WMZOPIPTSA-N 2 1 347.503 3.068 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2C)C1 ZINC001042848483 1346120851 /nfs/dbraw/zinc/12/08/51/1346120851.db2.gz PANSOLNNMHOMNF-YLJYHZDGSA-N 2 1 343.515 3.073 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2C)C1 ZINC001042848483 1346120853 /nfs/dbraw/zinc/12/08/53/1346120853.db2.gz PANSOLNNMHOMNF-YLJYHZDGSA-N 2 1 343.515 3.073 20 0 EGADMP C[C@H]1CCC[C@@H](CC[NH+]2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001043522241 1346186080 /nfs/dbraw/zinc/18/60/80/1346186080.db2.gz YCFJZRTUXQVZAM-ROUUACIJSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)c1cccc(C[NH+](C)C)c1)C1C[NH+](CC2=CCCCC2)C1 ZINC001044330142 1346300842 /nfs/dbraw/zinc/30/08/42/1346300842.db2.gz SSHHOYAVRVUDAB-UHFFFAOYSA-N 2 1 341.499 3.005 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001044741609 1346418269 /nfs/dbraw/zinc/41/82/69/1346418269.db2.gz CBWYIJZCUWYVBC-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001045070615 1346489637 /nfs/dbraw/zinc/48/96/37/1346489637.db2.gz NXEAXDOYSYQFPX-MJGOQNOKSA-N 2 1 343.515 3.121 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CC2CCCCCC2)CC1 ZINC001045388503 1346580253 /nfs/dbraw/zinc/58/02/53/1346580253.db2.gz BCIATKCXRGTNSF-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001045389853 1346580781 /nfs/dbraw/zinc/58/07/81/1346580781.db2.gz MAEXUKZXAHATQU-GOSISDBHSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](CCC3CCCC3)CC2)CC[N@H+]1C ZINC001045444695 1346595016 /nfs/dbraw/zinc/59/50/16/1346595016.db2.gz UCTGDFNAJRGLSR-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001045803151 1346702318 /nfs/dbraw/zinc/70/23/18/1346702318.db2.gz LCCBCFWHLIVYAD-HSALFYBXSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001045803151 1346702320 /nfs/dbraw/zinc/70/23/20/1346702320.db2.gz LCCBCFWHLIVYAD-HSALFYBXSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001045803151 1346702322 /nfs/dbraw/zinc/70/23/22/1346702322.db2.gz LCCBCFWHLIVYAD-HSALFYBXSA-N 2 1 345.531 3.036 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001045803485 1346702833 /nfs/dbraw/zinc/70/28/33/1346702833.db2.gz WFBRGEAMFPJQFP-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001045803485 1346702836 /nfs/dbraw/zinc/70/28/36/1346702836.db2.gz WFBRGEAMFPJQFP-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001045803485 1346702840 /nfs/dbraw/zinc/70/28/40/1346702840.db2.gz WFBRGEAMFPJQFP-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)[NH+]1CCCCCC1 ZINC001045858531 1346723050 /nfs/dbraw/zinc/72/30/50/1346723050.db2.gz MZMVCNIILKFIGT-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045938282 1346774471 /nfs/dbraw/zinc/77/44/71/1346774471.db2.gz WKFRVVOFYOOJPR-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045938282 1346774472 /nfs/dbraw/zinc/77/44/72/1346774472.db2.gz WKFRVVOFYOOJPR-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001045938282 1346774474 /nfs/dbraw/zinc/77/44/74/1346774474.db2.gz WKFRVVOFYOOJPR-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045942971 1346778413 /nfs/dbraw/zinc/77/84/13/1346778413.db2.gz DKZWEOGACCOSAD-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CCC2=CCCCC2)C1 ZINC001046315286 1346931071 /nfs/dbraw/zinc/93/10/71/1346931071.db2.gz JNGRPJYSCJRSRO-TZIWHRDSSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CCC2=CCCCC2)C1 ZINC001046315286 1346931073 /nfs/dbraw/zinc/93/10/73/1346931073.db2.gz JNGRPJYSCJRSRO-TZIWHRDSSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CCC2=CCCCC2)C1 ZINC001046315286 1346931074 /nfs/dbraw/zinc/93/10/74/1346931074.db2.gz JNGRPJYSCJRSRO-TZIWHRDSSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046619000 1347040253 /nfs/dbraw/zinc/04/02/53/1347040253.db2.gz LMOSKCMGPWLXTA-DYESRHJHSA-N 2 1 345.531 3.031 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046619003 1347040724 /nfs/dbraw/zinc/04/07/24/1347040724.db2.gz LMOSKCMGPWLXTA-UWJYYQICSA-N 2 1 345.531 3.031 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC(C)C)C1 ZINC001132366243 1375332829 /nfs/dbraw/zinc/33/28/29/1375332829.db2.gz YYMRJQRTEGHZGE-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(C)C)C1 ZINC001132366243 1375332841 /nfs/dbraw/zinc/33/28/41/1375332841.db2.gz YYMRJQRTEGHZGE-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(C)C)C1 ZINC001132366243 1375332853 /nfs/dbraw/zinc/33/28/53/1375332853.db2.gz YYMRJQRTEGHZGE-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001046738989 1347077611 /nfs/dbraw/zinc/07/76/11/1347077611.db2.gz HBMRJOXPVQGCCK-NRFANRHFSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001048510462 1347572764 /nfs/dbraw/zinc/57/27/64/1347572764.db2.gz MPURPWKAUDPKKE-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001048510462 1347572766 /nfs/dbraw/zinc/57/27/66/1347572766.db2.gz MPURPWKAUDPKKE-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001048510462 1347572768 /nfs/dbraw/zinc/57/27/68/1347572768.db2.gz MPURPWKAUDPKKE-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001048527813 1347578406 /nfs/dbraw/zinc/57/84/06/1347578406.db2.gz WAHQSVPAGFFMHS-YRPNKDGESA-N 2 1 347.547 3.185 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001048527813 1347578407 /nfs/dbraw/zinc/57/84/07/1347578407.db2.gz WAHQSVPAGFFMHS-YRPNKDGESA-N 2 1 347.547 3.185 20 0 EGADMP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001048527813 1347578409 /nfs/dbraw/zinc/57/84/09/1347578409.db2.gz WAHQSVPAGFFMHS-YRPNKDGESA-N 2 1 347.547 3.185 20 0 EGADMP CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001048558727 1347592650 /nfs/dbraw/zinc/59/26/50/1347592650.db2.gz ZEJQCIWNCVAFHT-RNQOJCNYSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001048558727 1347592652 /nfs/dbraw/zinc/59/26/52/1347592652.db2.gz ZEJQCIWNCVAFHT-RNQOJCNYSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001048558727 1347592656 /nfs/dbraw/zinc/59/26/56/1347592656.db2.gz ZEJQCIWNCVAFHT-RNQOJCNYSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001048599838 1347614177 /nfs/dbraw/zinc/61/41/77/1347614177.db2.gz FEDBZHSEYACJMF-ZHALLVOQSA-N 2 1 349.563 3.029 20 0 EGADMP CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510673 1347884878 /nfs/dbraw/zinc/88/48/78/1347884878.db2.gz IKARGRKKJXYDQB-IRXDYDNUSA-N 2 1 349.544 3.289 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510673 1347884880 /nfs/dbraw/zinc/88/48/80/1347884880.db2.gz IKARGRKKJXYDQB-IRXDYDNUSA-N 2 1 349.544 3.289 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC1CC1 ZINC001049526174 1347891920 /nfs/dbraw/zinc/89/19/20/1347891920.db2.gz UAPATHNOBHXKJN-VAMGGRTRSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CC1 ZINC001049526174 1347891922 /nfs/dbraw/zinc/89/19/22/1347891922.db2.gz UAPATHNOBHXKJN-VAMGGRTRSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CC1 ZINC001049526174 1347891925 /nfs/dbraw/zinc/89/19/25/1347891925.db2.gz UAPATHNOBHXKJN-VAMGGRTRSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001049534979 1347895790 /nfs/dbraw/zinc/89/57/90/1347895790.db2.gz XURMQOPRIRGFCA-QYZOEREBSA-N 2 1 349.563 3.074 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC ZINC001049835951 1348049427 /nfs/dbraw/zinc/04/94/27/1348049427.db2.gz MSIBQFPEDQAWNJ-IPMKNSEASA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC ZINC001049835951 1348049428 /nfs/dbraw/zinc/04/94/28/1348049428.db2.gz MSIBQFPEDQAWNJ-IPMKNSEASA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC ZINC001049835951 1348049430 /nfs/dbraw/zinc/04/94/30/1348049430.db2.gz MSIBQFPEDQAWNJ-IPMKNSEASA-N 2 1 335.536 3.116 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049919387 1348112513 /nfs/dbraw/zinc/11/25/13/1348112513.db2.gz OSNPHRQPCMTGGF-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052487532 1348554830 /nfs/dbraw/zinc/55/48/30/1348554830.db2.gz ZSIBNIIGYCNFAO-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)CC1 ZINC001052499485 1348560009 /nfs/dbraw/zinc/56/00/09/1348560009.db2.gz WDBJTSMVKXGAAI-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC001052499485 1348560012 /nfs/dbraw/zinc/56/00/12/1348560012.db2.gz WDBJTSMVKXGAAI-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC001052499485 1348560013 /nfs/dbraw/zinc/56/00/13/1348560013.db2.gz WDBJTSMVKXGAAI-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCCC2CCC2)CC1)C12CCC[NH+]1CCC2 ZINC001052529914 1348567202 /nfs/dbraw/zinc/56/72/02/1348567202.db2.gz UWWHTDNTIWXQFW-IBGZPJMESA-N 2 1 347.547 3.166 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCC3CCCC3)CC2)CC1 ZINC001052678079 1348626476 /nfs/dbraw/zinc/62/64/76/1348626476.db2.gz UAISWQHASPOCBH-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H](F)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052787962 1348679590 /nfs/dbraw/zinc/67/95/90/1348679590.db2.gz OJRWIGDWKIWELM-OALUTQOASA-N 2 1 349.494 3.081 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC001052859585 1348705482 /nfs/dbraw/zinc/70/54/82/1348705482.db2.gz MZNJHIHOFBXVKS-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC001052859585 1348705484 /nfs/dbraw/zinc/70/54/84/1348705484.db2.gz MZNJHIHOFBXVKS-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC001052859585 1348705486 /nfs/dbraw/zinc/70/54/86/1348705486.db2.gz MZNJHIHOFBXVKS-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCCC2CCCC2)CC1)C12CC[NH+](CC1)C2 ZINC001052870975 1348711678 /nfs/dbraw/zinc/71/16/78/1348711678.db2.gz AFIREXIFMDBRNV-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052956858 1348770786 /nfs/dbraw/zinc/77/07/86/1348770786.db2.gz AHZRAWRACYQOJH-SJLPKXTDSA-N 2 1 349.494 3.081 20 0 EGADMP C/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](C[C@H](C)CC)CC1 ZINC001052990034 1348790235 /nfs/dbraw/zinc/79/02/35/1348790235.db2.gz IMZJVQQJOUTVIH-WZOHKFRQSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053053741 1348859162 /nfs/dbraw/zinc/85/91/62/1348859162.db2.gz BUJIIKHMQXGPBD-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCCC3CCC3)C2)C1)[NH+](C)C ZINC001054152950 1349156123 /nfs/dbraw/zinc/15/61/23/1349156123.db2.gz IVYVJWATMPWCKC-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054195723 1349198396 /nfs/dbraw/zinc/19/83/96/1349198396.db2.gz BUQYOTICGXXLHA-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001054195723 1349198398 /nfs/dbraw/zinc/19/83/98/1349198398.db2.gz BUQYOTICGXXLHA-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001054195723 1349198401 /nfs/dbraw/zinc/19/84/01/1349198401.db2.gz BUQYOTICGXXLHA-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054195722 1349198632 /nfs/dbraw/zinc/19/86/32/1349198632.db2.gz BUQYOTICGXXLHA-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001054195722 1349198637 /nfs/dbraw/zinc/19/86/37/1349198637.db2.gz BUQYOTICGXXLHA-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001054195722 1349198640 /nfs/dbraw/zinc/19/86/40/1349198640.db2.gz BUQYOTICGXXLHA-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001054244243 1349237615 /nfs/dbraw/zinc/23/76/15/1349237615.db2.gz UASXJDFSFAKIBW-OAQYLSRUSA-N 2 1 343.515 3.086 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc2c(c1)C[NH+](CCC(C)(C)C)C2 ZINC001054259406 1349255372 /nfs/dbraw/zinc/25/53/72/1349255372.db2.gz YKDFPLMXJKORTL-LJQANCHMSA-N 2 1 343.515 3.149 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](CCC(C)(C)C)C2 ZINC001054259406 1349255375 /nfs/dbraw/zinc/25/53/75/1349255375.db2.gz YKDFPLMXJKORTL-LJQANCHMSA-N 2 1 343.515 3.149 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCc1ccc2c(c1)C[N@H+](CCC(C)(C)C)C2 ZINC001054259406 1349255377 /nfs/dbraw/zinc/25/53/77/1349255377.db2.gz YKDFPLMXJKORTL-LJQANCHMSA-N 2 1 343.515 3.149 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)cc2C1 ZINC001054272003 1349272434 /nfs/dbraw/zinc/27/24/34/1349272434.db2.gz AKICXUXBFUTPSG-FQEVSTJZSA-N 2 1 343.515 3.149 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)cc2C1 ZINC001054272003 1349272437 /nfs/dbraw/zinc/27/24/37/1349272437.db2.gz AKICXUXBFUTPSG-FQEVSTJZSA-N 2 1 343.515 3.149 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3CC(C)C)cc2C1 ZINC001054272003 1349272440 /nfs/dbraw/zinc/27/24/40/1349272440.db2.gz AKICXUXBFUTPSG-FQEVSTJZSA-N 2 1 343.515 3.149 20 0 EGADMP CC[C@H](C)C[N@H+]1Cc2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2C1 ZINC001054279497 1349281482 /nfs/dbraw/zinc/28/14/82/1349281482.db2.gz HYZVBGDHGOCUMB-INIZCTEOSA-N 2 1 343.515 3.006 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)cc2C1 ZINC001054284756 1349287125 /nfs/dbraw/zinc/28/71/25/1349287125.db2.gz GRYRTWDFYCIOTQ-HXUWFJFHSA-N 2 1 343.515 3.291 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)cc2C1 ZINC001054284756 1349287128 /nfs/dbraw/zinc/28/71/28/1349287128.db2.gz GRYRTWDFYCIOTQ-HXUWFJFHSA-N 2 1 343.515 3.291 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@H+]3C(C)C)cc2C1 ZINC001054284756 1349287130 /nfs/dbraw/zinc/28/71/30/1349287130.db2.gz GRYRTWDFYCIOTQ-HXUWFJFHSA-N 2 1 343.515 3.291 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001054297551 1349301674 /nfs/dbraw/zinc/30/16/74/1349301674.db2.gz RDEHJBVOWAGAES-RLLQIKCJSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554606 1357676581 /nfs/dbraw/zinc/67/65/81/1357676581.db2.gz XOUZEBJRFUJWRA-WSTZPKSXSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085625566 1358645436 /nfs/dbraw/zinc/64/54/36/1358645436.db2.gz SQXJKRVUAHCPDE-MRXNPFEDSA-N 2 1 337.533 3.002 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085625566 1358645438 /nfs/dbraw/zinc/64/54/38/1358645438.db2.gz SQXJKRVUAHCPDE-MRXNPFEDSA-N 2 1 337.533 3.002 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C[N@@H+]1CC1CCCC1 ZINC001071769575 1354916723 /nfs/dbraw/zinc/91/67/23/1354916723.db2.gz UDWKDPBMFVIJCP-CRAIPNDOSA-N 2 1 347.503 3.114 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C[N@H+]1CC1CCCC1 ZINC001071769575 1354916728 /nfs/dbraw/zinc/91/67/28/1354916728.db2.gz UDWKDPBMFVIJCP-CRAIPNDOSA-N 2 1 347.503 3.114 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CC1CCCCC1 ZINC001071871670 1354996799 /nfs/dbraw/zinc/99/67/99/1354996799.db2.gz JFWRNCLZCZNQSC-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[N@H+]1CC1CCCCCC1 ZINC001071996261 1355065249 /nfs/dbraw/zinc/06/52/49/1355065249.db2.gz PRHKOZXPQVLDEL-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001072084381 1355120052 /nfs/dbraw/zinc/12/00/52/1355120052.db2.gz BDALJCGDZQKUJZ-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001072084381 1355120053 /nfs/dbraw/zinc/12/00/53/1355120053.db2.gz BDALJCGDZQKUJZ-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@@H+]1C/C=C/Cl ZINC001072099725 1355130014 /nfs/dbraw/zinc/13/00/14/1355130014.db2.gz WQTWRFPQWXFCPA-KSLMAGSDSA-N 2 1 349.906 3.083 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@H+]1C/C=C/Cl ZINC001072099725 1355130017 /nfs/dbraw/zinc/13/00/17/1355130017.db2.gz WQTWRFPQWXFCPA-KSLMAGSDSA-N 2 1 349.906 3.083 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001074064639 1356061988 /nfs/dbraw/zinc/06/19/88/1356061988.db2.gz FTCVUXZGNYENEA-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001074064639 1356061992 /nfs/dbraw/zinc/06/19/92/1356061992.db2.gz FTCVUXZGNYENEA-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001074064639 1356061995 /nfs/dbraw/zinc/06/19/95/1356061995.db2.gz FTCVUXZGNYENEA-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001074693486 1356224155 /nfs/dbraw/zinc/22/41/55/1356224155.db2.gz COPICRTYQZUPGM-WDSOQIARSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448160 1356380839 /nfs/dbraw/zinc/38/08/39/1356380839.db2.gz PKGOUZFUIGUOED-UYAOXDASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075448160 1356380842 /nfs/dbraw/zinc/38/08/42/1356380842.db2.gz PKGOUZFUIGUOED-UYAOXDASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075448160 1356380843 /nfs/dbraw/zinc/38/08/43/1356380843.db2.gz PKGOUZFUIGUOED-UYAOXDASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)CC1 ZINC001075452814 1356387308 /nfs/dbraw/zinc/38/73/08/1356387308.db2.gz QOYXPOBDSSYKKT-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC001075452814 1356387311 /nfs/dbraw/zinc/38/73/11/1356387311.db2.gz QOYXPOBDSSYKKT-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC001075452814 1356387316 /nfs/dbraw/zinc/38/73/16/1356387316.db2.gz QOYXPOBDSSYKKT-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099106878 1363625786 /nfs/dbraw/zinc/62/57/86/1363625786.db2.gz QSSNPPRCCONNIH-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099258283 1363718315 /nfs/dbraw/zinc/71/83/15/1363718315.db2.gz PLTXIFWIOSWCDQ-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001082943719 1358107017 /nfs/dbraw/zinc/10/70/17/1358107017.db2.gz YOILOXPFGMXTPB-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCCC3CCC3)[C@H]2C1)[NH+](C)C ZINC001084964885 1358355484 /nfs/dbraw/zinc/35/54/84/1358355484.db2.gz WMCHCJZZHONXDV-AABGKKOBSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2=CCCCC2)CC[N@H+]1C ZINC001085201855 1358432412 /nfs/dbraw/zinc/43/24/12/1358432412.db2.gz CLHQJEWWLPUIOH-VBSBHUPXSA-N 2 1 347.547 3.234 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1 ZINC001085352534 1358476452 /nfs/dbraw/zinc/47/64/52/1358476452.db2.gz LGASUUZGAPORJD-GUDVDZBRSA-N 2 1 335.536 3.066 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001183764949 1387345741 /nfs/dbraw/zinc/34/57/41/1387345741.db2.gz KLEPDGAFNNHUCW-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCC1CCCCCC1)C(=O)[C@H]1CCCC[NH+]1C ZINC001085675422 1358679213 /nfs/dbraw/zinc/67/92/13/1358679213.db2.gz RZPNCGJRLVTHCG-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CCC1CCCCCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001085675422 1358679215 /nfs/dbraw/zinc/67/92/15/1358679215.db2.gz RZPNCGJRLVTHCG-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CCC1CCCCCC1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001085675422 1358679218 /nfs/dbraw/zinc/67/92/18/1358679218.db2.gz RZPNCGJRLVTHCG-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCC2CCC2)C1 ZINC001085778939 1358753408 /nfs/dbraw/zinc/75/34/08/1358753408.db2.gz KMINZHQYFMRBJR-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCC2CCC2)C1 ZINC001085778939 1358753410 /nfs/dbraw/zinc/75/34/10/1358753410.db2.gz KMINZHQYFMRBJR-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCCC2CCC2)C1 ZINC001085778939 1358753414 /nfs/dbraw/zinc/75/34/14/1358753414.db2.gz KMINZHQYFMRBJR-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCC2CCCC2)CC1 ZINC001085901667 1358859638 /nfs/dbraw/zinc/85/96/38/1358859638.db2.gz KIPUAHIKEFJCSS-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086084804 1358991971 /nfs/dbraw/zinc/99/19/71/1358991971.db2.gz GSGXMBDJKHNYJN-XEYPJELSSA-N 2 1 343.515 3.105 20 0 EGADMP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001086118448 1359001284 /nfs/dbraw/zinc/00/12/84/1359001284.db2.gz AGLVOUGKYLIKEH-IYWMVGAKSA-N 2 1 347.547 3.068 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001086381829 1359083466 /nfs/dbraw/zinc/08/34/66/1359083466.db2.gz JXHZHDBFMZLBQL-UFYCRDLUSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086387045 1359084762 /nfs/dbraw/zinc/08/47/62/1359084762.db2.gz PULQLBPZHBRGRR-VAMGGRTRSA-N 2 1 349.563 3.029 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086402178 1359088616 /nfs/dbraw/zinc/08/86/16/1359088616.db2.gz KZFFUFFZKIWTDI-UFYCRDLUSA-N 2 1 349.563 3.316 20 0 EGADMP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001086502563 1359121928 /nfs/dbraw/zinc/12/19/28/1359121928.db2.gz FMVYAJQJJNDVOM-UAFMIMERSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001086740341 1359193824 /nfs/dbraw/zinc/19/38/24/1359193824.db2.gz UYLSTYGNNCKXTD-XUVXKRRUSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086921157 1359248469 /nfs/dbraw/zinc/24/84/69/1359248469.db2.gz IYQBXNIVULZDJJ-RTBURBONSA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927992 1359252535 /nfs/dbraw/zinc/25/25/35/1359252535.db2.gz RXARRNTXNBOTKQ-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927991 1359252788 /nfs/dbraw/zinc/25/27/88/1359252788.db2.gz RXARRNTXNBOTKQ-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087303492 1359387043 /nfs/dbraw/zinc/38/70/43/1359387043.db2.gz MLXAYAJBMDCHHY-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087303492 1359387046 /nfs/dbraw/zinc/38/70/46/1359387046.db2.gz MLXAYAJBMDCHHY-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087303492 1359387049 /nfs/dbraw/zinc/38/70/49/1359387049.db2.gz MLXAYAJBMDCHHY-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@@H]21 ZINC001087309166 1359396277 /nfs/dbraw/zinc/39/62/77/1359396277.db2.gz BQWVENUYDAPQNY-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001087309168 1359396660 /nfs/dbraw/zinc/39/66/60/1359396660.db2.gz BQWVENUYDAPQNY-YZGWKJHDSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@H+]1CCC(C)(C)C ZINC001087569934 1359535516 /nfs/dbraw/zinc/53/55/16/1359535516.db2.gz TUHZMNTUBJWQCA-KSZLIROESA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CCC(C)(C)C ZINC001087569934 1359535520 /nfs/dbraw/zinc/53/55/20/1359535520.db2.gz TUHZMNTUBJWQCA-KSZLIROESA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC[NH+]1CCC(C)(C)C ZINC001087569934 1359535522 /nfs/dbraw/zinc/53/55/22/1359535522.db2.gz TUHZMNTUBJWQCA-KSZLIROESA-N 2 1 337.552 3.265 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569769 1359535715 /nfs/dbraw/zinc/53/57/15/1359535715.db2.gz MHZSRHLTWYHMOL-IPMKNSEASA-N 2 1 337.552 3.265 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087569769 1359535724 /nfs/dbraw/zinc/53/57/24/1359535724.db2.gz MHZSRHLTWYHMOL-IPMKNSEASA-N 2 1 337.552 3.265 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087569769 1359535727 /nfs/dbraw/zinc/53/57/27/1359535727.db2.gz MHZSRHLTWYHMOL-IPMKNSEASA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CCC1CCCCC1 ZINC001087625851 1359562273 /nfs/dbraw/zinc/56/22/73/1359562273.db2.gz WRQOAHBEPGCTKQ-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CCC1CCCCC1 ZINC001087625851 1359562276 /nfs/dbraw/zinc/56/22/76/1359562276.db2.gz WRQOAHBEPGCTKQ-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CCC1CCCCC1 ZINC001087625851 1359562278 /nfs/dbraw/zinc/56/22/78/1359562278.db2.gz WRQOAHBEPGCTKQ-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CCC1CCCCC1 ZINC001087625851 1359562280 /nfs/dbraw/zinc/56/22/80/1359562280.db2.gz WRQOAHBEPGCTKQ-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1CC ZINC001087699603 1359599244 /nfs/dbraw/zinc/59/92/44/1359599244.db2.gz BZGPVOPULOMZGT-DSLXNQLJSA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1CC ZINC001087699603 1359599246 /nfs/dbraw/zinc/59/92/46/1359599246.db2.gz BZGPVOPULOMZGT-DSLXNQLJSA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1CC ZINC001087699603 1359599248 /nfs/dbraw/zinc/59/92/48/1359599248.db2.gz BZGPVOPULOMZGT-DSLXNQLJSA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1CCCC1CCCC1 ZINC001087725516 1359612839 /nfs/dbraw/zinc/61/28/39/1359612839.db2.gz RYOBBSJVTLMEDE-YSIASYRMSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1CCCC1CCCC1 ZINC001087725516 1359612841 /nfs/dbraw/zinc/61/28/41/1359612841.db2.gz RYOBBSJVTLMEDE-YSIASYRMSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1CCCC1CCCC1 ZINC001087725516 1359612849 /nfs/dbraw/zinc/61/28/49/1359612849.db2.gz RYOBBSJVTLMEDE-YSIASYRMSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@H+]1CC(C)C ZINC001087728184 1359614768 /nfs/dbraw/zinc/61/47/68/1359614768.db2.gz IQPMBEHBDDPXML-VQTJNVASSA-N 2 1 345.531 3.029 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1CCC1CC1 ZINC001087762657 1359632572 /nfs/dbraw/zinc/63/25/72/1359632572.db2.gz GHMQNRNRADATHM-VQTJNVASSA-N 2 1 343.515 3.131 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@H+]1CC1=CCCCC1 ZINC001087840747 1359675264 /nfs/dbraw/zinc/67/52/64/1359675264.db2.gz MHGZCILKOFWOKR-ZCNNSNEGSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC[NH+]1CC1=CCCCC1 ZINC001087840747 1359675268 /nfs/dbraw/zinc/67/52/68/1359675268.db2.gz MHGZCILKOFWOKR-ZCNNSNEGSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC[NH+]1CC1=CCCCC1 ZINC001087840747 1359675273 /nfs/dbraw/zinc/67/52/73/1359675273.db2.gz MHGZCILKOFWOKR-ZCNNSNEGSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[N@H+]1CC(C)C ZINC001087845146 1359677835 /nfs/dbraw/zinc/67/78/35/1359677835.db2.gz JGKJCQHZZUWXTF-ZWKOTPCHSA-N 2 1 349.519 3.360 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001088382509 1359865157 /nfs/dbraw/zinc/86/51/57/1359865157.db2.gz CZCYEDDPZWLWNY-AZUAARDMSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001088394605 1359870837 /nfs/dbraw/zinc/87/08/37/1359870837.db2.gz KMBHNQMBDPBNLC-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CC1CCCCC1 ZINC001088567399 1359976708 /nfs/dbraw/zinc/97/67/08/1359976708.db2.gz LNSOPFXGFQOADT-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569423 1359976913 /nfs/dbraw/zinc/97/69/13/1359976913.db2.gz SPOZHLVESOTDMG-GGPKGHCWSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569423 1359976915 /nfs/dbraw/zinc/97/69/15/1359976915.db2.gz SPOZHLVESOTDMG-GGPKGHCWSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569423 1359976917 /nfs/dbraw/zinc/97/69/17/1359976917.db2.gz SPOZHLVESOTDMG-GGPKGHCWSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001088605453 1359988446 /nfs/dbraw/zinc/98/84/46/1359988446.db2.gz TTZOXSUTMSJTRQ-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)[C@@H]1C ZINC001088605453 1359988449 /nfs/dbraw/zinc/98/84/49/1359988449.db2.gz TTZOXSUTMSJTRQ-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)[C@@H]1C ZINC001088605453 1359988453 /nfs/dbraw/zinc/98/84/53/1359988453.db2.gz TTZOXSUTMSJTRQ-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCCC3CCC3)[C@@H]2C)C1 ZINC001088617138 1359992925 /nfs/dbraw/zinc/99/29/25/1359992925.db2.gz ZYOOWVVRYIHBPE-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CCCC3CCC3)[C@@H]2C)C1 ZINC001088617138 1359992929 /nfs/dbraw/zinc/99/29/29/1359992929.db2.gz ZYOOWVVRYIHBPE-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCC3CCC3)[C@@H]2C)C1 ZINC001088617138 1359992932 /nfs/dbraw/zinc/99/29/32/1359992932.db2.gz ZYOOWVVRYIHBPE-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@H]2C)cc1 ZINC001088709501 1360017471 /nfs/dbraw/zinc/01/74/71/1360017471.db2.gz FXGSANZIFUCSIS-UZLBHIALSA-N 2 1 348.450 3.036 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CC1CCCCCC1 ZINC001088939616 1360108607 /nfs/dbraw/zinc/10/86/07/1360108607.db2.gz ZBQOCLPEDIVAJU-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001088971644 1360120292 /nfs/dbraw/zinc/12/02/92/1360120292.db2.gz XGMFIEMUUCEXBC-UZLBHIALSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCC3)CC(C)(C)C2)CC[N@H+]1C ZINC001089477605 1360460194 /nfs/dbraw/zinc/46/01/94/1360460194.db2.gz OGQSCHPBCIULFO-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CCC3)CC(C)(C)C2)CC[NH+]1C ZINC001089477605 1360460196 /nfs/dbraw/zinc/46/01/96/1360460196.db2.gz OGQSCHPBCIULFO-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CCC3)CC(C)(C)C2)CC[NH+]1C ZINC001089477605 1360460198 /nfs/dbraw/zinc/46/01/98/1360460198.db2.gz OGQSCHPBCIULFO-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC3CCCCC3)CC(C)(C)C2)C1 ZINC001089558581 1360507122 /nfs/dbraw/zinc/50/71/22/1360507122.db2.gz IZKHTWWVFXSZOD-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC3CCCCC3)CC(C)(C)C2)C1 ZINC001089558581 1360507125 /nfs/dbraw/zinc/50/71/25/1360507125.db2.gz IZKHTWWVFXSZOD-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)CC(C)(C)C2)C1 ZINC001089558581 1360507127 /nfs/dbraw/zinc/50/71/27/1360507127.db2.gz IZKHTWWVFXSZOD-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089647298 1360560028 /nfs/dbraw/zinc/56/00/28/1360560028.db2.gz UXRJWZHWYJWUPN-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001089647298 1360560030 /nfs/dbraw/zinc/56/00/30/1360560030.db2.gz UXRJWZHWYJWUPN-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001089647298 1360560031 /nfs/dbraw/zinc/56/00/31/1360560031.db2.gz UXRJWZHWYJWUPN-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001089684183 1360589636 /nfs/dbraw/zinc/58/96/36/1360589636.db2.gz NINKUNUGZFBJTI-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CCC)C1 ZINC001089684183 1360589638 /nfs/dbraw/zinc/58/96/38/1360589638.db2.gz NINKUNUGZFBJTI-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CCC)C1 ZINC001089684183 1360589642 /nfs/dbraw/zinc/58/96/42/1360589642.db2.gz NINKUNUGZFBJTI-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC ZINC001089721714 1360624059 /nfs/dbraw/zinc/62/40/59/1360624059.db2.gz JSPDXVDVIZFBRX-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC ZINC001089721714 1360624062 /nfs/dbraw/zinc/62/40/62/1360624062.db2.gz JSPDXVDVIZFBRX-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC ZINC001089721714 1360624064 /nfs/dbraw/zinc/62/40/64/1360624064.db2.gz JSPDXVDVIZFBRX-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001093225908 1361552213 /nfs/dbraw/zinc/55/22/13/1361552213.db2.gz UHSTTZIRNFLRQI-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001093225908 1361552218 /nfs/dbraw/zinc/55/22/18/1361552218.db2.gz UHSTTZIRNFLRQI-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450451 1361806228 /nfs/dbraw/zinc/80/62/28/1361806228.db2.gz PJVPNXXPMCWMJL-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001094450451 1361806229 /nfs/dbraw/zinc/80/62/29/1361806229.db2.gz PJVPNXXPMCWMJL-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001094450451 1361806230 /nfs/dbraw/zinc/80/62/30/1361806230.db2.gz PJVPNXXPMCWMJL-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001096313347 1362460432 /nfs/dbraw/zinc/46/04/32/1362460432.db2.gz CKSLWOUHRZTRBJ-XWSJACJDSA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001096313347 1362460436 /nfs/dbraw/zinc/46/04/36/1362460436.db2.gz CKSLWOUHRZTRBJ-XWSJACJDSA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CCCC)C2 ZINC001096313347 1362460438 /nfs/dbraw/zinc/46/04/38/1362460438.db2.gz CKSLWOUHRZTRBJ-XWSJACJDSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001096597775 1362592358 /nfs/dbraw/zinc/59/23/58/1362592358.db2.gz LYDARYVKMQBPOA-AABGKKOBSA-N 2 1 343.515 3.129 20 0 EGADMP CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097079936 1362835453 /nfs/dbraw/zinc/83/54/53/1362835453.db2.gz QHRVGVXFKQHNFJ-AFYVEPGGSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001097079936 1362835457 /nfs/dbraw/zinc/83/54/57/1362835457.db2.gz QHRVGVXFKQHNFJ-AFYVEPGGSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001097079936 1362835461 /nfs/dbraw/zinc/83/54/61/1362835461.db2.gz QHRVGVXFKQHNFJ-AFYVEPGGSA-N 2 1 347.547 3.019 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCC2)CC[N@H+]1C ZINC001097104169 1362844579 /nfs/dbraw/zinc/84/45/79/1362844579.db2.gz HQSYDKHJIYZLJV-IVDHNXQLSA-N 2 1 347.547 3.019 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCC2)CC[NH+]1C ZINC001097104169 1362844584 /nfs/dbraw/zinc/84/45/84/1362844584.db2.gz HQSYDKHJIYZLJV-IVDHNXQLSA-N 2 1 347.547 3.019 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCC2)CC[NH+]1C ZINC001097104169 1362844588 /nfs/dbraw/zinc/84/45/88/1362844588.db2.gz HQSYDKHJIYZLJV-IVDHNXQLSA-N 2 1 347.547 3.019 20 0 EGADMP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001097163689 1362871616 /nfs/dbraw/zinc/87/16/16/1362871616.db2.gz IOESDHZRSAIFMR-DZUCGIPZSA-N 2 1 349.544 3.191 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001097163689 1362871620 /nfs/dbraw/zinc/87/16/20/1362871620.db2.gz IOESDHZRSAIFMR-DZUCGIPZSA-N 2 1 349.544 3.191 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(CC)CC ZINC001097177011 1362875293 /nfs/dbraw/zinc/87/52/93/1362875293.db2.gz FMVWPBPAHIXZEU-AKHDSKFASA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(CC)CC ZINC001097177011 1362875296 /nfs/dbraw/zinc/87/52/96/1362875296.db2.gz FMVWPBPAHIXZEU-AKHDSKFASA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(CC)CC ZINC001097177011 1362875297 /nfs/dbraw/zinc/87/52/97/1362875297.db2.gz FMVWPBPAHIXZEU-AKHDSKFASA-N 2 1 335.536 3.019 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[C@@H]([NH2+]CC)C2CCCC2)C1 ZINC001098822206 1363482749 /nfs/dbraw/zinc/48/27/49/1363482749.db2.gz XFFFNDYSGWQIEW-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001098975124 1363548678 /nfs/dbraw/zinc/54/86/78/1363548678.db2.gz DNCQIQMXUIMFHS-YZBXUTEPSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001098975124 1363548687 /nfs/dbraw/zinc/54/86/87/1363548687.db2.gz DNCQIQMXUIMFHS-YZBXUTEPSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001098975124 1363548688 /nfs/dbraw/zinc/54/86/88/1363548688.db2.gz DNCQIQMXUIMFHS-YZBXUTEPSA-N 2 1 349.563 3.434 20 0 EGADMP CCCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001098976246 1363551097 /nfs/dbraw/zinc/55/10/97/1363551097.db2.gz RMEIEXDBWUANDP-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001098976246 1363551099 /nfs/dbraw/zinc/55/10/99/1363551099.db2.gz RMEIEXDBWUANDP-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001098976246 1363551102 /nfs/dbraw/zinc/55/11/02/1363551102.db2.gz RMEIEXDBWUANDP-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001099106459 1363624873 /nfs/dbraw/zinc/62/48/73/1363624873.db2.gz GKROLWRWZVMJQR-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130589 1363643082 /nfs/dbraw/zinc/64/30/82/1363643082.db2.gz PNDODULSECOXCU-SJORKVTESA-N 2 1 339.568 3.370 20 0 EGADMP CC[C@@H](C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@H+](C)CC ZINC001099130589 1363643083 /nfs/dbraw/zinc/64/30/83/1363643083.db2.gz PNDODULSECOXCU-SJORKVTESA-N 2 1 339.568 3.370 20 0 EGADMP CC[C@@H](C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001099130589 1363643087 /nfs/dbraw/zinc/64/30/87/1363643087.db2.gz PNDODULSECOXCU-SJORKVTESA-N 2 1 339.568 3.370 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099165591 1363665979 /nfs/dbraw/zinc/66/59/79/1363665979.db2.gz MXECFTOGRNOQCT-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1cccc(C[N@@H+]2CC(C)(C)CC[C@H]2CNC(=O)CC[NH+](C)C)c1 ZINC001099202639 1363689895 /nfs/dbraw/zinc/68/98/95/1363689895.db2.gz CQGZRTBFJNNTIP-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC1)[NH+](CC)CC ZINC001099228976 1363702360 /nfs/dbraw/zinc/70/23/60/1363702360.db2.gz FGYPXLRMTYMXDY-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC1)[NH+](CC)CC ZINC001099228972 1363702391 /nfs/dbraw/zinc/70/23/91/1363702391.db2.gz FGYPXLRMTYMXDY-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001099258750 1363719134 /nfs/dbraw/zinc/71/91/34/1363719134.db2.gz TXZORXWZSDUFRZ-QGZVFWFLSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001099258750 1363719137 /nfs/dbraw/zinc/71/91/37/1363719137.db2.gz TXZORXWZSDUFRZ-QGZVFWFLSA-N 2 1 346.519 3.023 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC(CC)CC ZINC001099319968 1363747786 /nfs/dbraw/zinc/74/77/86/1363747786.db2.gz GRGLYEOGNKZSAJ-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(CC)CC ZINC001099319968 1363747787 /nfs/dbraw/zinc/74/77/87/1363747787.db2.gz GRGLYEOGNKZSAJ-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(CC)CC ZINC001099319968 1363747792 /nfs/dbraw/zinc/74/77/92/1363747792.db2.gz GRGLYEOGNKZSAJ-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CC1(C)CC[C@@H](CNC(=O)CCC[NH+]2CCCCC2)[N@@H+](CC2CC2)C1 ZINC001099340573 1363760390 /nfs/dbraw/zinc/76/03/90/1363760390.db2.gz VQLYURHABINUJQ-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCCCCF ZINC001099353457 1363767577 /nfs/dbraw/zinc/76/75/77/1363767577.db2.gz BHENIZSLLQGLPB-QGZVFWFLSA-N 2 1 343.531 3.073 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCCCF ZINC001099353457 1363767579 /nfs/dbraw/zinc/76/75/79/1363767579.db2.gz BHENIZSLLQGLPB-QGZVFWFLSA-N 2 1 343.531 3.073 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCCCF ZINC001099353457 1363767580 /nfs/dbraw/zinc/76/75/80/1363767580.db2.gz BHENIZSLLQGLPB-QGZVFWFLSA-N 2 1 343.531 3.073 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099354248 1363768584 /nfs/dbraw/zinc/76/85/84/1363768584.db2.gz PMBPVUXQPWAQIO-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185224775 1387656398 /nfs/dbraw/zinc/65/63/98/1387656398.db2.gz HPRLWSSDLHCMSI-MSOLQXFVSA-N 2 1 348.535 3.127 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001100319181 1364079440 /nfs/dbraw/zinc/07/94/40/1364079440.db2.gz ARHYHBJPGXWBGT-ABHNRTSZSA-N 2 1 337.552 3.170 20 0 EGADMP CC(C)=CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001100332702 1364082258 /nfs/dbraw/zinc/08/22/58/1364082258.db2.gz MVPRITDBZXKDLD-XBMUEBEBSA-N 2 1 347.547 3.092 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001100383337 1364097304 /nfs/dbraw/zinc/09/73/04/1364097304.db2.gz WKPRTFNWBWLVKJ-ABHNRTSZSA-N 2 1 337.552 3.172 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001100418613 1364108261 /nfs/dbraw/zinc/10/82/61/1364108261.db2.gz BXBPACVDJMIUCC-SOAGJPPSSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001100459890 1364122285 /nfs/dbraw/zinc/12/22/85/1364122285.db2.gz CNOHTNRCCSMWCY-UHFFFAOYSA-N 2 1 337.552 3.172 20 0 EGADMP CC/C=C\CC[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001100468717 1364125789 /nfs/dbraw/zinc/12/57/89/1364125789.db2.gz MCAWJHQLFYOIMZ-SREVYHEPSA-N 2 1 349.563 3.480 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001100599445 1364183654 /nfs/dbraw/zinc/18/36/54/1364183654.db2.gz WQWFTQUAUSFKET-OYCKCEAOSA-N 2 1 349.563 3.339 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC1CC([NH2+]CCCC2CCC2)C1 ZINC001100720579 1364234615 /nfs/dbraw/zinc/23/46/15/1364234615.db2.gz YYIYQCXSJPYGQU-UHFFFAOYSA-N 2 1 346.519 3.071 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001100900046 1364321412 /nfs/dbraw/zinc/32/14/12/1364321412.db2.gz NMMJPUXRNKIYNQ-LYGPFTKASA-N 2 1 349.494 3.103 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001100900157 1364321780 /nfs/dbraw/zinc/32/17/80/1364321780.db2.gz SWQRDNJOINZXCD-PGYGNJIDSA-N 2 1 345.531 3.272 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CCC3CCCCC3)C[C@@]2(C)C1 ZINC001101477396 1364576094 /nfs/dbraw/zinc/57/60/94/1364576094.db2.gz RRVHXSJNMZDWGJ-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CCC3CCCCC3)C[C@@]2(C)C1 ZINC001101477396 1364576097 /nfs/dbraw/zinc/57/60/97/1364576097.db2.gz RRVHXSJNMZDWGJ-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CCC3CCCCC3)C[C@@]2(C)C1 ZINC001101477396 1364576100 /nfs/dbraw/zinc/57/61/00/1364576100.db2.gz RRVHXSJNMZDWGJ-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001101597258 1364647757 /nfs/dbraw/zinc/64/77/57/1364647757.db2.gz BUAKBCPUQNNFSC-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H](C)C1 ZINC001102264693 1364976083 /nfs/dbraw/zinc/97/60/83/1364976083.db2.gz WAHKQQADKLCZDU-VMASUYHGSA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001102264693 1364976085 /nfs/dbraw/zinc/97/60/85/1364976085.db2.gz WAHKQQADKLCZDU-VMASUYHGSA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001102264693 1364976089 /nfs/dbraw/zinc/97/60/89/1364976089.db2.gz WAHKQQADKLCZDU-VMASUYHGSA-N 2 1 349.563 3.149 20 0 EGADMP CCCc1ccc(C[N@H+]2CC[C@@](C)(NC(=O)[C@H](CC)[NH+](C)C)C2)cc1 ZINC001324646534 1387717158 /nfs/dbraw/zinc/71/71/58/1387717158.db2.gz IJQPSHWIVJHFPZ-PZJWPPBQSA-N 2 1 345.531 3.060 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C2)c1 ZINC001102601175 1365131780 /nfs/dbraw/zinc/13/17/80/1365131780.db2.gz PHFIQHOSQKLYLU-QWFCFKBJSA-N 2 1 345.531 3.080 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+]2C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C2)c1 ZINC001102601175 1365131785 /nfs/dbraw/zinc/13/17/85/1365131785.db2.gz PHFIQHOSQKLYLU-QWFCFKBJSA-N 2 1 345.531 3.080 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C2)c1 ZINC001102601175 1365131788 /nfs/dbraw/zinc/13/17/88/1365131788.db2.gz PHFIQHOSQKLYLU-QWFCFKBJSA-N 2 1 345.531 3.080 20 0 EGADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103434279 1365557654 /nfs/dbraw/zinc/55/76/54/1365557654.db2.gz XKCJVNMRUJNPOS-WSTZPKSXSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001103434279 1365557658 /nfs/dbraw/zinc/55/76/58/1365557658.db2.gz XKCJVNMRUJNPOS-WSTZPKSXSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001103434279 1365557660 /nfs/dbraw/zinc/55/76/60/1365557660.db2.gz XKCJVNMRUJNPOS-WSTZPKSXSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103483785 1365590408 /nfs/dbraw/zinc/59/04/08/1365590408.db2.gz PRWKVQQTFWMHQK-QZTJIDSGSA-N 2 1 346.519 3.047 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103483785 1365590411 /nfs/dbraw/zinc/59/04/11/1365590411.db2.gz PRWKVQQTFWMHQK-QZTJIDSGSA-N 2 1 346.519 3.047 20 0 EGADMP CC(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001103494185 1365595988 /nfs/dbraw/zinc/59/59/88/1365595988.db2.gz OLQYJSZHVUTMHV-QZTJIDSGSA-N 2 1 348.535 3.127 20 0 EGADMP CC(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001103494185 1365595990 /nfs/dbraw/zinc/59/59/90/1365595990.db2.gz OLQYJSZHVUTMHV-QZTJIDSGSA-N 2 1 348.535 3.127 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495491 1365596977 /nfs/dbraw/zinc/59/69/77/1365596977.db2.gz FEXHITKTKUVTGD-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001103495491 1365596980 /nfs/dbraw/zinc/59/69/80/1365596980.db2.gz FEXHITKTKUVTGD-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001103495491 1365596982 /nfs/dbraw/zinc/59/69/82/1365596982.db2.gz FEXHITKTKUVTGD-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103612737 1365676091 /nfs/dbraw/zinc/67/60/91/1365676091.db2.gz RUXPFOFOFNTSCE-TYFAACHXSA-N 2 1 337.552 3.149 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001103612737 1365676093 /nfs/dbraw/zinc/67/60/93/1365676093.db2.gz RUXPFOFOFNTSCE-TYFAACHXSA-N 2 1 337.552 3.149 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001103612737 1365676094 /nfs/dbraw/zinc/67/60/94/1365676094.db2.gz RUXPFOFOFNTSCE-TYFAACHXSA-N 2 1 337.552 3.149 20 0 EGADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103655244 1365705345 /nfs/dbraw/zinc/70/53/45/1365705345.db2.gz WMNSYIHIOLQYAZ-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001103753706 1365765183 /nfs/dbraw/zinc/76/51/83/1365765183.db2.gz WHQLVMGFLXNBEI-QZTJIDSGSA-N 2 1 345.531 3.236 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755587 1365766179 /nfs/dbraw/zinc/76/61/79/1365766179.db2.gz MKGGCWXPDHTCRF-GUDVDZBRSA-N 2 1 339.568 3.083 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001103755587 1365766180 /nfs/dbraw/zinc/76/61/80/1365766180.db2.gz MKGGCWXPDHTCRF-GUDVDZBRSA-N 2 1 339.568 3.083 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001103755587 1365766183 /nfs/dbraw/zinc/76/61/83/1365766183.db2.gz MKGGCWXPDHTCRF-GUDVDZBRSA-N 2 1 339.568 3.083 20 0 EGADMP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104286926 1365976729 /nfs/dbraw/zinc/97/67/29/1365976729.db2.gz MPKJMKCOTDRPKO-VAMGGRTRSA-N 2 1 349.563 3.005 20 0 EGADMP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104355038 1365983703 /nfs/dbraw/zinc/98/37/03/1365983703.db2.gz KTODIPAOVMEBSR-JCHUFIKGSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC2CCC2)C1 ZINC001104676699 1366127553 /nfs/dbraw/zinc/12/75/53/1366127553.db2.gz UNHNPBQINWCPBT-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001104752425 1366157649 /nfs/dbraw/zinc/15/76/49/1366157649.db2.gz DLOKHFNWKHFXAB-QZTJIDSGSA-N 2 1 348.535 3.127 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c2ccccc2)C1 ZINC001104873775 1366206328 /nfs/dbraw/zinc/20/63/28/1366206328.db2.gz FEHMRQGZQHIDGQ-WSTZPKSXSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC(C)(CNC(=O)CCc2cnc[nH]2)CC1 ZINC001324867745 1387797101 /nfs/dbraw/zinc/79/71/01/1387797101.db2.gz DLFHLGTVPMIXFO-QGZVFWFLSA-N 2 1 348.535 3.243 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001105013167 1366274061 /nfs/dbraw/zinc/27/40/61/1366274061.db2.gz DDZVGUACGQYMIY-SJLPKXTDSA-N 2 1 348.535 3.092 20 0 EGADMP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105064504 1366302607 /nfs/dbraw/zinc/30/26/07/1366302607.db2.gz SAYSHKYPDOMIAZ-TYFAACHXSA-N 2 1 337.552 3.147 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001106210741 1366624469 /nfs/dbraw/zinc/62/44/69/1366624469.db2.gz CDHYTKYDNAWFGO-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CCCC2)[C@H](C)C1 ZINC001106210690 1366624674 /nfs/dbraw/zinc/62/46/74/1366624674.db2.gz AEMXOHFMBBSEAP-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106250240 1366633750 /nfs/dbraw/zinc/63/37/50/1366633750.db2.gz ZEUSFMGAWZZFRU-KZNAEPCWSA-N 2 1 346.519 3.025 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001106729104 1366782603 /nfs/dbraw/zinc/78/26/03/1366782603.db2.gz IDRGEYZUYFRRMP-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1 ZINC001106765655 1366792418 /nfs/dbraw/zinc/79/24/18/1366792418.db2.gz NVEBCUULSSZRAM-SJLPKXTDSA-N 2 1 348.535 3.092 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546505 1367037181 /nfs/dbraw/zinc/03/71/81/1367037181.db2.gz FROOHKIHGBPHGU-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546505 1367037186 /nfs/dbraw/zinc/03/71/86/1367037186.db2.gz FROOHKIHGBPHGU-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546505 1367037190 /nfs/dbraw/zinc/03/71/90/1367037190.db2.gz FROOHKIHGBPHGU-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107547849 1367037621 /nfs/dbraw/zinc/03/76/21/1367037621.db2.gz YZVOGPNKOQNKQN-QKNQBKEWSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107547849 1367037626 /nfs/dbraw/zinc/03/76/26/1367037626.db2.gz YZVOGPNKOQNKQN-QKNQBKEWSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107547849 1367037632 /nfs/dbraw/zinc/03/76/32/1367037632.db2.gz YZVOGPNKOQNKQN-QKNQBKEWSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550847 1367038184 /nfs/dbraw/zinc/03/81/84/1367038184.db2.gz NGJPKQFDIUGWMN-WIYYLYMNSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550847 1367038189 /nfs/dbraw/zinc/03/81/89/1367038189.db2.gz NGJPKQFDIUGWMN-WIYYLYMNSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550847 1367038193 /nfs/dbraw/zinc/03/81/93/1367038193.db2.gz NGJPKQFDIUGWMN-WIYYLYMNSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550009 1367038296 /nfs/dbraw/zinc/03/82/96/1367038296.db2.gz KZSMSQCYVXDWDV-WAOWUJCRSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550009 1367038298 /nfs/dbraw/zinc/03/82/98/1367038298.db2.gz KZSMSQCYVXDWDV-WAOWUJCRSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550009 1367038303 /nfs/dbraw/zinc/03/83/03/1367038303.db2.gz KZSMSQCYVXDWDV-WAOWUJCRSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC1=CCCCC1)CC2 ZINC001107598688 1367065235 /nfs/dbraw/zinc/06/52/35/1367065235.db2.gz QUDKFCMNMVMPQV-TZIWHRDSSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1=CCCCC1)CC2 ZINC001107598688 1367065237 /nfs/dbraw/zinc/06/52/37/1367065237.db2.gz QUDKFCMNMVMPQV-TZIWHRDSSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1=CCCCC1)CC2 ZINC001107598688 1367065242 /nfs/dbraw/zinc/06/52/42/1367065242.db2.gz QUDKFCMNMVMPQV-TZIWHRDSSA-N 2 1 347.547 3.189 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646757 1367091474 /nfs/dbraw/zinc/09/14/74/1367091474.db2.gz UWHNKRKRQJGCGC-CWHLKURSSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646757 1367091481 /nfs/dbraw/zinc/09/14/81/1367091481.db2.gz UWHNKRKRQJGCGC-CWHLKURSSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646757 1367091491 /nfs/dbraw/zinc/09/14/91/1367091491.db2.gz UWHNKRKRQJGCGC-CWHLKURSSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC001189771032 1367106257 /nfs/dbraw/zinc/10/62/57/1367106257.db2.gz GZLDPCHKXIANMC-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21 ZINC001189872329 1367121598 /nfs/dbraw/zinc/12/15/98/1367121598.db2.gz YSRRTPZFASBDHB-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565604 1367201772 /nfs/dbraw/zinc/20/17/72/1367201772.db2.gz VBAAESSCWFBZBB-ITVKQWQRSA-N 2 1 347.547 3.329 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565605 1367201938 /nfs/dbraw/zinc/20/19/38/1367201938.db2.gz VBAAESSCWFBZBB-PEHGNSNYSA-N 2 1 347.547 3.329 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001190491406 1367275911 /nfs/dbraw/zinc/27/59/11/1367275911.db2.gz GWBSQWRHIVGXBR-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001190491406 1367275918 /nfs/dbraw/zinc/27/59/18/1367275918.db2.gz GWBSQWRHIVGXBR-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001190491406 1367275922 /nfs/dbraw/zinc/27/59/22/1367275922.db2.gz GWBSQWRHIVGXBR-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1)[NH+](CC)CC ZINC001109714670 1367289921 /nfs/dbraw/zinc/28/99/21/1367289921.db2.gz RZGDKOJZHRVXDD-FYQPLNBISA-N 2 1 349.563 3.409 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001109714758 1367290856 /nfs/dbraw/zinc/29/08/56/1367290856.db2.gz VJRDJWHQJJKHMR-HCXYKTFWSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109719949 1367292161 /nfs/dbraw/zinc/29/21/61/1367292161.db2.gz SMEDIRIYDUKVJY-SQNIBIBYSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001109719949 1367292165 /nfs/dbraw/zinc/29/21/65/1367292165.db2.gz SMEDIRIYDUKVJY-SQNIBIBYSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001109719949 1367292169 /nfs/dbraw/zinc/29/21/69/1367292169.db2.gz SMEDIRIYDUKVJY-SQNIBIBYSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656328 1367319820 /nfs/dbraw/zinc/31/98/20/1367319820.db2.gz RZSKKJULIYDIMI-RBUKOAKNSA-N 2 1 335.536 3.116 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190656328 1367319824 /nfs/dbraw/zinc/31/98/24/1367319824.db2.gz RZSKKJULIYDIMI-RBUKOAKNSA-N 2 1 335.536 3.116 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190656328 1367319831 /nfs/dbraw/zinc/31/98/31/1367319831.db2.gz RZSKKJULIYDIMI-RBUKOAKNSA-N 2 1 335.536 3.116 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656855 1367319886 /nfs/dbraw/zinc/31/98/86/1367319886.db2.gz WXWBFZNFHLKVPL-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190656855 1367319888 /nfs/dbraw/zinc/31/98/88/1367319888.db2.gz WXWBFZNFHLKVPL-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190656855 1367319892 /nfs/dbraw/zinc/31/98/92/1367319892.db2.gz WXWBFZNFHLKVPL-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860317 1367364561 /nfs/dbraw/zinc/36/45/61/1367364561.db2.gz XMKUYCPUPIKGNW-YDZRNGNQSA-N 2 1 337.552 3.265 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2C)C1 ZINC001191031147 1367406276 /nfs/dbraw/zinc/40/62/76/1367406276.db2.gz XHTJHMIYFKWUJD-LJQANCHMSA-N 2 1 345.531 3.066 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2C)C1 ZINC001191031147 1367406278 /nfs/dbraw/zinc/40/62/78/1367406278.db2.gz XHTJHMIYFKWUJD-LJQANCHMSA-N 2 1 345.531 3.066 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082510 1367420411 /nfs/dbraw/zinc/42/04/11/1367420411.db2.gz ZSAWUCGMVZEZLN-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191082510 1367420416 /nfs/dbraw/zinc/42/04/16/1367420416.db2.gz ZSAWUCGMVZEZLN-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191082510 1367420420 /nfs/dbraw/zinc/42/04/20/1367420420.db2.gz ZSAWUCGMVZEZLN-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](CC)c1ccccc1 ZINC001110022387 1367461942 /nfs/dbraw/zinc/46/19/42/1367461942.db2.gz WBESRURGUWPXCA-FYQPLNBISA-N 2 1 343.515 3.201 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](CC)c1ccccc1 ZINC001110022387 1367461945 /nfs/dbraw/zinc/46/19/45/1367461945.db2.gz WBESRURGUWPXCA-FYQPLNBISA-N 2 1 343.515 3.201 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](CC)c1ccccc1 ZINC001110022387 1367461948 /nfs/dbraw/zinc/46/19/48/1367461948.db2.gz WBESRURGUWPXCA-FYQPLNBISA-N 2 1 343.515 3.201 20 0 EGADMP Cc1ccccc1C1CC([NH+](C[C@H](O)C[N@H+](C)C(C)C)C2CC2)C1 ZINC001191330607 1367477886 /nfs/dbraw/zinc/47/78/86/1367477886.db2.gz SPIVFVMHKWRLLX-LYBXBRPPSA-N 2 1 330.516 3.407 20 0 EGADMP Cc1ccccc1C1CC([N@H+](C[C@H](O)C[NH+](C)C(C)C)C2CC2)C1 ZINC001191330607 1367477890 /nfs/dbraw/zinc/47/78/90/1367477890.db2.gz SPIVFVMHKWRLLX-LYBXBRPPSA-N 2 1 330.516 3.407 20 0 EGADMP Cc1ccccc1C1CC([N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2CC2)C1 ZINC001191330607 1367477895 /nfs/dbraw/zinc/47/78/95/1367477895.db2.gz SPIVFVMHKWRLLX-LYBXBRPPSA-N 2 1 330.516 3.407 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001110142412 1367524626 /nfs/dbraw/zinc/52/46/26/1367524626.db2.gz AYCKGDRLLUFUKX-AABGKKOBSA-N 2 1 343.515 3.274 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191560259 1367527971 /nfs/dbraw/zinc/52/79/71/1367527971.db2.gz CJUZRPPTVJXVMM-HPFMTEOYSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191986806 1367656074 /nfs/dbraw/zinc/65/60/74/1367656074.db2.gz BVNOFUSGCZVBJJ-ZEVQVBBLSA-N 2 1 347.503 3.234 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCC2)C1)[NH+](CC)CC ZINC001192325579 1367752506 /nfs/dbraw/zinc/75/25/06/1367752506.db2.gz LWSADZSFERGBSK-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1)[NH+](CC)CC ZINC001192325587 1367752722 /nfs/dbraw/zinc/75/27/22/1367752722.db2.gz MAYWGDZHOKSSAK-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)C)C1)[NH+](CC)CC ZINC001192326880 1367754218 /nfs/dbraw/zinc/75/42/18/1367754218.db2.gz UOHZPVQDLWBHLQ-MSOLQXFVSA-N 2 1 325.541 3.076 20 0 EGADMP CC(C)C[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192595219 1367829034 /nfs/dbraw/zinc/82/90/34/1367829034.db2.gz INWCIXWVDHSUOD-ROUUACIJSA-N 2 1 348.535 3.221 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192595219 1367829038 /nfs/dbraw/zinc/82/90/38/1367829038.db2.gz INWCIXWVDHSUOD-ROUUACIJSA-N 2 1 348.535 3.221 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192595214 1367829339 /nfs/dbraw/zinc/82/93/39/1367829339.db2.gz INWCIXWVDHSUOD-MSOLQXFVSA-N 2 1 348.535 3.221 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192595214 1367829344 /nfs/dbraw/zinc/82/93/44/1367829344.db2.gz INWCIXWVDHSUOD-MSOLQXFVSA-N 2 1 348.535 3.221 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC(C)(C)C)CC[N@H+]1C ZINC001110576482 1367844014 /nfs/dbraw/zinc/84/40/14/1367844014.db2.gz LDWXNWOGXBALIF-ZRSRNVLSSA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC(C)(C)C)CC[NH+]1C ZINC001110576482 1367844018 /nfs/dbraw/zinc/84/40/18/1367844018.db2.gz LDWXNWOGXBALIF-ZRSRNVLSSA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC(C)(C)C)CC[NH+]1C ZINC001110576482 1367844023 /nfs/dbraw/zinc/84/40/23/1367844023.db2.gz LDWXNWOGXBALIF-ZRSRNVLSSA-N 2 1 349.563 3.265 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192672163 1367845797 /nfs/dbraw/zinc/84/57/97/1367845797.db2.gz ULCYPFJXONVLIK-RBUKOAKNSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192672163 1367845799 /nfs/dbraw/zinc/84/57/99/1367845799.db2.gz ULCYPFJXONVLIK-RBUKOAKNSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192672163 1367845801 /nfs/dbraw/zinc/84/58/01/1367845801.db2.gz ULCYPFJXONVLIK-RBUKOAKNSA-N 2 1 337.552 3.362 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110660574 1367903309 /nfs/dbraw/zinc/90/33/09/1367903309.db2.gz FYNRIXNHKMQRFV-WTGUMLROSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110660574 1367903312 /nfs/dbraw/zinc/90/33/12/1367903312.db2.gz FYNRIXNHKMQRFV-WTGUMLROSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001110660574 1367903315 /nfs/dbraw/zinc/90/33/15/1367903315.db2.gz FYNRIXNHKMQRFV-WTGUMLROSA-N 2 1 349.563 3.407 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)C)C1)C(C)C ZINC001192918167 1367904445 /nfs/dbraw/zinc/90/44/45/1367904445.db2.gz XZSRMAWTBZHCFI-RTBURBONSA-N 2 1 339.568 3.322 20 0 EGADMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C(C)C)cc2)C1 ZINC001192960602 1367911731 /nfs/dbraw/zinc/91/17/31/1367911731.db2.gz RWTGOMOXRUUOMC-HXUWFJFHSA-N 2 1 345.531 3.185 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001110683107 1367925428 /nfs/dbraw/zinc/92/54/28/1367925428.db2.gz QOAWXHKDIXVLAG-NMLBUPMWSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001110683107 1367925434 /nfs/dbraw/zinc/92/54/34/1367925434.db2.gz QOAWXHKDIXVLAG-NMLBUPMWSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001110683107 1367925436 /nfs/dbraw/zinc/92/54/36/1367925436.db2.gz QOAWXHKDIXVLAG-NMLBUPMWSA-N 2 1 347.547 3.163 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC2(CCC2)C1 ZINC001110738897 1367955156 /nfs/dbraw/zinc/95/51/56/1367955156.db2.gz YWMFOOAUDYVCHP-KURKYZTESA-N 2 1 347.547 3.019 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC2(CCC2)C1 ZINC001110738897 1367955160 /nfs/dbraw/zinc/95/51/60/1367955160.db2.gz YWMFOOAUDYVCHP-KURKYZTESA-N 2 1 347.547 3.019 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC2(CCC2)C1 ZINC001110738897 1367955164 /nfs/dbraw/zinc/95/51/64/1367955164.db2.gz YWMFOOAUDYVCHP-KURKYZTESA-N 2 1 347.547 3.019 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001193389892 1368017563 /nfs/dbraw/zinc/01/75/63/1368017563.db2.gz JGDCDHSRLHCWIH-RBUKOAKNSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001193389892 1368017567 /nfs/dbraw/zinc/01/75/67/1368017567.db2.gz JGDCDHSRLHCWIH-RBUKOAKNSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001193389892 1368017571 /nfs/dbraw/zinc/01/75/71/1368017571.db2.gz JGDCDHSRLHCWIH-RBUKOAKNSA-N 2 1 337.552 3.364 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@@H]([NH+](C)CC2CCC2)C1)c1ccccc1 ZINC001193424605 1368027037 /nfs/dbraw/zinc/02/70/37/1368027037.db2.gz NXBDFIBANYWFRP-UXHICEINSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCC2)C1)c1ccccc1 ZINC001193424605 1368027039 /nfs/dbraw/zinc/02/70/39/1368027039.db2.gz NXBDFIBANYWFRP-UXHICEINSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCC2)C1)c1ccccc1 ZINC001193424605 1368027048 /nfs/dbraw/zinc/02/70/48/1368027048.db2.gz NXBDFIBANYWFRP-UXHICEINSA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@H]([NH+](C)CC2CCC2)C1)c1ccccc1 ZINC001193424608 1368027438 /nfs/dbraw/zinc/02/74/38/1368027438.db2.gz NXBDFIBANYWFRP-VQTJNVASSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCC2)C1)c1ccccc1 ZINC001193424608 1368027441 /nfs/dbraw/zinc/02/74/41/1368027441.db2.gz NXBDFIBANYWFRP-VQTJNVASSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCC2)C1)c1ccccc1 ZINC001193424608 1368027445 /nfs/dbraw/zinc/02/74/45/1368027445.db2.gz NXBDFIBANYWFRP-VQTJNVASSA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@@H]([NH+](C)CCC2CC2)C1)c1ccccc1 ZINC001193424563 1368027566 /nfs/dbraw/zinc/02/75/66/1368027566.db2.gz NEOYXNKMDTWWML-WOJBJXKFSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCC2CC2)C1)c1ccccc1 ZINC001193424563 1368027569 /nfs/dbraw/zinc/02/75/69/1368027569.db2.gz NEOYXNKMDTWWML-WOJBJXKFSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC2CC2)C1)c1ccccc1 ZINC001193424563 1368027574 /nfs/dbraw/zinc/02/75/74/1368027574.db2.gz NEOYXNKMDTWWML-WOJBJXKFSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@H](CC)c2ccccc2)C1 ZINC001193643039 1368082117 /nfs/dbraw/zinc/08/21/17/1368082117.db2.gz PTGNPVGGSWXARI-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)[C@H](CC)c2ccccc2)C1 ZINC001193643039 1368082122 /nfs/dbraw/zinc/08/21/22/1368082122.db2.gz PTGNPVGGSWXARI-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](CC)c2ccccc2)C1 ZINC001193643039 1368082132 /nfs/dbraw/zinc/08/21/32/1368082132.db2.gz PTGNPVGGSWXARI-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@H](CC)c2ccccc2)C1 ZINC001193643041 1368082238 /nfs/dbraw/zinc/08/22/38/1368082238.db2.gz PTGNPVGGSWXARI-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)[C@H](CC)c2ccccc2)C1 ZINC001193643041 1368082243 /nfs/dbraw/zinc/08/22/43/1368082243.db2.gz PTGNPVGGSWXARI-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](CC)c2ccccc2)C1 ZINC001193643041 1368082244 /nfs/dbraw/zinc/08/22/44/1368082244.db2.gz PTGNPVGGSWXARI-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001111018276 1368144152 /nfs/dbraw/zinc/14/41/52/1368144152.db2.gz PEBMBCSELYLKGK-KUYNXSNKSA-N 2 1 335.536 3.185 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCCC ZINC001111160269 1368170194 /nfs/dbraw/zinc/17/01/94/1368170194.db2.gz NIVPNSBWLFEWQH-QRVBRYPASA-N 2 1 337.552 3.410 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCC ZINC001111160269 1368170197 /nfs/dbraw/zinc/17/01/97/1368170197.db2.gz NIVPNSBWLFEWQH-QRVBRYPASA-N 2 1 337.552 3.410 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCC ZINC001111160269 1368170200 /nfs/dbraw/zinc/17/02/00/1368170200.db2.gz NIVPNSBWLFEWQH-QRVBRYPASA-N 2 1 337.552 3.410 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194245737 1368216754 /nfs/dbraw/zinc/21/67/54/1368216754.db2.gz DAECTDURVACEIS-LJQANCHMSA-N 2 1 345.531 3.331 20 0 EGADMP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274502 1368221298 /nfs/dbraw/zinc/22/12/98/1368221298.db2.gz IROZYGUKDNRMGB-WOJBJXKFSA-N 2 1 345.531 3.258 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274502 1368221303 /nfs/dbraw/zinc/22/13/03/1368221303.db2.gz IROZYGUKDNRMGB-WOJBJXKFSA-N 2 1 345.531 3.258 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C ZINC001111268926 1368235838 /nfs/dbraw/zinc/23/58/38/1368235838.db2.gz IYJZDUYBVYZLEY-QRVBRYPASA-N 2 1 337.552 3.266 20 0 EGADMP C[N@@H+](Cc1ccsc1)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194430839 1368260009 /nfs/dbraw/zinc/26/00/09/1368260009.db2.gz XWGSSMICIIISMF-SFHVURJKSA-N 2 1 349.544 3.047 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415315 1368302870 /nfs/dbraw/zinc/30/28/70/1368302870.db2.gz MBBBKIRAQVPFIX-MANSERQUSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)C ZINC001111463236 1368310816 /nfs/dbraw/zinc/31/08/16/1368310816.db2.gz GAGZEQFVEFTNPX-AKHDSKFASA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)C ZINC001111463236 1368310819 /nfs/dbraw/zinc/31/08/19/1368310819.db2.gz GAGZEQFVEFTNPX-AKHDSKFASA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C ZINC001111463236 1368310824 /nfs/dbraw/zinc/31/08/24/1368310824.db2.gz GAGZEQFVEFTNPX-AKHDSKFASA-N 2 1 335.536 3.019 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCC(C)(C)C)C2 ZINC001111782261 1368459306 /nfs/dbraw/zinc/45/93/06/1368459306.db2.gz BAONNYDFFOTPNI-UEXGIBASSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC(C)(C)C)C2 ZINC001111782261 1368459307 /nfs/dbraw/zinc/45/93/07/1368459307.db2.gz BAONNYDFFOTPNI-UEXGIBASSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC(C)(C)C)C2 ZINC001111782261 1368459310 /nfs/dbraw/zinc/45/93/10/1368459310.db2.gz BAONNYDFFOTPNI-UEXGIBASSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCCCC1)C2 ZINC001111857870 1368508953 /nfs/dbraw/zinc/50/89/53/1368508953.db2.gz CHNAAFCZDZPPPH-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001111892539 1368537170 /nfs/dbraw/zinc/53/71/70/1368537170.db2.gz UQTYRZRSQCSQAU-PXNSSMCTSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001111892539 1368537177 /nfs/dbraw/zinc/53/71/77/1368537177.db2.gz UQTYRZRSQCSQAU-PXNSSMCTSA-N 2 1 346.519 3.023 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001196201050 1368567003 /nfs/dbraw/zinc/56/70/03/1368567003.db2.gz SWVYUCSGCCVYQB-VOFKWLDRSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001196201050 1368567008 /nfs/dbraw/zinc/56/70/08/1368567008.db2.gz SWVYUCSGCCVYQB-VOFKWLDRSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001196201050 1368567012 /nfs/dbraw/zinc/56/70/12/1368567012.db2.gz SWVYUCSGCCVYQB-VOFKWLDRSA-N 2 1 335.536 3.142 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC1=CCCCC1)C2 ZINC001111951130 1368571485 /nfs/dbraw/zinc/57/14/85/1368571485.db2.gz UGXCIUZTBOKSEP-FPOVZHCZSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1=CCCCC1)C2 ZINC001111951130 1368571486 /nfs/dbraw/zinc/57/14/86/1368571486.db2.gz UGXCIUZTBOKSEP-FPOVZHCZSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1=CCCCC1)C2 ZINC001111951130 1368571490 /nfs/dbraw/zinc/57/14/90/1368571490.db2.gz UGXCIUZTBOKSEP-FPOVZHCZSA-N 2 1 347.547 3.189 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001196275141 1368581544 /nfs/dbraw/zinc/58/15/44/1368581544.db2.gz GRTROXGQJBGRHT-UVEXCMSLSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388481 1368604684 /nfs/dbraw/zinc/60/46/84/1368604684.db2.gz MUMGAJFRUFGAQV-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001196388481 1368604688 /nfs/dbraw/zinc/60/46/88/1368604688.db2.gz MUMGAJFRUFGAQV-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001196388481 1368604692 /nfs/dbraw/zinc/60/46/92/1368604692.db2.gz MUMGAJFRUFGAQV-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CCC[N@@H+](CCCC3CCC3)CC2)CCCC1 ZINC001196656910 1368657005 /nfs/dbraw/zinc/65/70/05/1368657005.db2.gz WGJVTNXFMRUINO-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP COc1cc(C)[nH+]c(CN2CCC[C@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001196935756 1368716434 /nfs/dbraw/zinc/71/64/34/1368716434.db2.gz LOILIGDMWMYVSQ-IBGZPJMESA-N 2 1 331.504 3.485 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001196934974 1368716787 /nfs/dbraw/zinc/71/67/87/1368716787.db2.gz LFJYHNMMSRYYRV-UHFFFAOYSA-N 2 1 349.519 3.315 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001196934974 1368716788 /nfs/dbraw/zinc/71/67/88/1368716788.db2.gz LFJYHNMMSRYYRV-UHFFFAOYSA-N 2 1 349.519 3.315 20 0 EGADMP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001112353406 1368784845 /nfs/dbraw/zinc/78/48/45/1368784845.db2.gz GIJKLTQOBJSLSN-ZJOUEHCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001112353407 1368785092 /nfs/dbraw/zinc/78/50/92/1368785092.db2.gz GIJKLTQOBJSLSN-ZVDOUQERSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197332697 1368790313 /nfs/dbraw/zinc/79/03/13/1368790313.db2.gz YLUMEGKEQWQKLC-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001197332697 1368790317 /nfs/dbraw/zinc/79/03/17/1368790317.db2.gz YLUMEGKEQWQKLC-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001197332697 1368790321 /nfs/dbraw/zinc/79/03/21/1368790321.db2.gz YLUMEGKEQWQKLC-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197332699 1368790340 /nfs/dbraw/zinc/79/03/40/1368790340.db2.gz YLUMEGKEQWQKLC-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001197332699 1368790345 /nfs/dbraw/zinc/79/03/45/1368790345.db2.gz YLUMEGKEQWQKLC-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001197332699 1368790348 /nfs/dbraw/zinc/79/03/48/1368790348.db2.gz YLUMEGKEQWQKLC-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001112529595 1368916324 /nfs/dbraw/zinc/91/63/24/1368916324.db2.gz HAADWLJCXXUAPH-FPJAKCJMSA-N 2 1 347.547 3.045 20 0 EGADMP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001112540027 1368920394 /nfs/dbraw/zinc/92/03/94/1368920394.db2.gz BQVSVMCPEICXFR-ZJOUEHCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CCCC2)C1 ZINC001112567870 1368930855 /nfs/dbraw/zinc/93/08/55/1368930855.db2.gz LXUZPOLOROMNKO-FPOVZHCZSA-N 2 1 349.563 3.127 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)C)C1 ZINC001112585797 1368938385 /nfs/dbraw/zinc/93/83/85/1368938385.db2.gz QUZMQIBMQIMBMB-ZVDOUQERSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198258767 1368991353 /nfs/dbraw/zinc/99/13/53/1368991353.db2.gz DMXGYUFMJKPISN-FQEVSTJZSA-N 2 1 345.531 3.404 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198258767 1368991362 /nfs/dbraw/zinc/99/13/62/1368991362.db2.gz DMXGYUFMJKPISN-FQEVSTJZSA-N 2 1 345.531 3.404 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC001186597113 1387979073 /nfs/dbraw/zinc/97/90/73/1387979073.db2.gz FPIIEUYNRIRQLU-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001113032713 1369153271 /nfs/dbraw/zinc/15/32/71/1369153271.db2.gz CQGHZRVXECMSGZ-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCC(C)(C)C)CC1 ZINC001113057431 1369171268 /nfs/dbraw/zinc/17/12/68/1369171268.db2.gz QNCSOXNEDQIPLS-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCc1ccccc1C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001200046058 1369307240 /nfs/dbraw/zinc/30/72/40/1369307240.db2.gz GJRVXIMPYJVSHQ-UHFFFAOYSA-N 2 1 337.511 3.286 20 0 EGADMP CCCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001200577867 1369393154 /nfs/dbraw/zinc/39/31/54/1369393154.db2.gz IPVXHZCLJODIDI-KRWDZBQOSA-N 2 1 335.536 3.022 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC([NH2+]C[C@H](C)CC)CC1 ZINC001200643338 1369404754 /nfs/dbraw/zinc/40/47/54/1369404754.db2.gz BRLDFRUEKUAHRQ-HZPDHXFCSA-N 2 1 334.508 3.023 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001200893581 1369445398 /nfs/dbraw/zinc/44/53/98/1369445398.db2.gz FJPLWCAZYACWRL-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cccc3cccnc32)CC1 ZINC001200972105 1369459837 /nfs/dbraw/zinc/45/98/37/1369459837.db2.gz VDWZOUAFNYVEOQ-UHFFFAOYSA-N 2 1 327.472 3.214 20 0 EGADMP CC/C=C\CC[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001201044075 1369470566 /nfs/dbraw/zinc/47/05/66/1369470566.db2.gz PBDWKLKYNFYKMB-VOFKWLDRSA-N 2 1 335.536 3.186 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053330 1369472981 /nfs/dbraw/zinc/47/29/81/1369472981.db2.gz OMQPFVHXSUWGCB-SHCNBLLESA-N 2 1 344.503 3.088 20 0 EGADMP CC(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201053421 1369473036 /nfs/dbraw/zinc/47/30/36/1369473036.db2.gz OSOFLTOQTUVQFU-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201399509 1369537185 /nfs/dbraw/zinc/53/71/85/1369537185.db2.gz ILUKPFQMKHNTBO-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001186824993 1388011624 /nfs/dbraw/zinc/01/16/24/1388011624.db2.gz UAUXQGSSVCQBTP-LJQANCHMSA-N 2 1 345.531 3.016 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001201618062 1369590927 /nfs/dbraw/zinc/59/09/27/1369590927.db2.gz QPPSWHHEVDSFEJ-SFTDATJTSA-N 2 1 334.548 3.493 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201618062 1369590931 /nfs/dbraw/zinc/59/09/31/1369590931.db2.gz QPPSWHHEVDSFEJ-SFTDATJTSA-N 2 1 334.548 3.493 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201618062 1369590945 /nfs/dbraw/zinc/59/09/45/1369590945.db2.gz QPPSWHHEVDSFEJ-SFTDATJTSA-N 2 1 334.548 3.493 20 0 EGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CCC(C)C)CC2 ZINC001201618446 1369591466 /nfs/dbraw/zinc/59/14/66/1369591466.db2.gz XXNGWBKUQKRZCD-FQEVSTJZSA-N 2 1 345.531 3.431 20 0 EGADMP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001202156975 1369703482 /nfs/dbraw/zinc/70/34/82/1369703482.db2.gz RHWWWCNOXHSNQL-FXAWDEMLSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001202863795 1369910561 /nfs/dbraw/zinc/91/05/61/1369910561.db2.gz NAPVMCGNUVDVSD-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001202862872 1369910756 /nfs/dbraw/zinc/91/07/56/1369910756.db2.gz HHYHFQJKUANGDD-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP CCC1(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)COC1 ZINC001202964481 1369938424 /nfs/dbraw/zinc/93/84/24/1369938424.db2.gz MORWJFGSHSIQEB-MTQWCTHYSA-N 2 1 330.516 3.308 20 0 EGADMP CCC1(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)COC1 ZINC001202964481 1369938429 /nfs/dbraw/zinc/93/84/29/1369938429.db2.gz MORWJFGSHSIQEB-MTQWCTHYSA-N 2 1 330.516 3.308 20 0 EGADMP CCC1(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)COC1 ZINC001202964481 1369938431 /nfs/dbraw/zinc/93/84/31/1369938431.db2.gz MORWJFGSHSIQEB-MTQWCTHYSA-N 2 1 330.516 3.308 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc5nonc54)C[C@H]3C2)cc1 ZINC001203130124 1369992277 /nfs/dbraw/zinc/99/22/77/1369992277.db2.gz NZXDFSNNNPSAQS-RTBURBONSA-N 2 1 348.450 3.095 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21)[NH+](CC)CC ZINC001114828296 1370101104 /nfs/dbraw/zinc/10/11/04/1370101104.db2.gz ANSNTOHOHZDHRQ-ZGXWSNOMSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001203454965 1370132686 /nfs/dbraw/zinc/13/26/86/1370132686.db2.gz BSHAZWOAVPQQAF-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]Cc2ccc(C(C)C)cc2)CC1 ZINC001203456047 1370133390 /nfs/dbraw/zinc/13/33/90/1370133390.db2.gz PAHJHNPDMSORFU-UHFFFAOYSA-N 2 1 345.531 3.232 20 0 EGADMP CCCCC[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203494047 1370145024 /nfs/dbraw/zinc/14/50/24/1370145024.db2.gz YVJQBOQACIYQRO-ROUUACIJSA-N 2 1 346.519 3.179 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC=C(C)C)C12CCC2 ZINC001203505309 1370147340 /nfs/dbraw/zinc/14/73/40/1370147340.db2.gz CHFJXCGENYHKEV-MOPGFXCFSA-N 2 1 349.563 3.482 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001114921338 1370150302 /nfs/dbraw/zinc/15/03/02/1370150302.db2.gz KXQYEPGIUQQKAV-VIZGMVCOSA-N 2 1 347.547 3.042 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2C(NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001114921338 1370150305 /nfs/dbraw/zinc/15/03/05/1370150305.db2.gz KXQYEPGIUQQKAV-VIZGMVCOSA-N 2 1 347.547 3.042 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2C(NC(=O)[C@@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001114921338 1370150307 /nfs/dbraw/zinc/15/03/07/1370150307.db2.gz KXQYEPGIUQQKAV-VIZGMVCOSA-N 2 1 347.547 3.042 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203640881 1370197400 /nfs/dbraw/zinc/19/74/00/1370197400.db2.gz JVBASCUNGBYILF-QZTJIDSGSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203640951 1370197482 /nfs/dbraw/zinc/19/74/82/1370197482.db2.gz KYKXDAZZBKPCFQ-SJORKVTESA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(CC)CC)C12CCC2 ZINC001203641771 1370199011 /nfs/dbraw/zinc/19/90/11/1370199011.db2.gz VDDJUUZGCZXEQT-QZTJIDSGSA-N 2 1 337.552 3.172 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203731417 1370238917 /nfs/dbraw/zinc/23/89/17/1370238917.db2.gz OMQMUHQYEGSYIZ-IRXDYDNUSA-N 2 1 346.519 3.035 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CCC3CCCCCC3)C[C@H]21 ZINC001115156735 1370317970 /nfs/dbraw/zinc/31/79/70/1370317970.db2.gz UNTKWPDWHFOJBW-KXTWHKPSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21 ZINC001115156735 1370317974 /nfs/dbraw/zinc/31/79/74/1370317974.db2.gz UNTKWPDWHFOJBW-KXTWHKPSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]21 ZINC001115156735 1370317981 /nfs/dbraw/zinc/31/79/81/1370317981.db2.gz UNTKWPDWHFOJBW-KXTWHKPSSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H]([NH2+]C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC001203933114 1370320349 /nfs/dbraw/zinc/32/03/49/1370320349.db2.gz UMTXGFCYNMYKKQ-IBGZPJMESA-N 2 1 331.504 3.059 20 0 EGADMP CC1(C)CC[N@@H+](CCNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001204002353 1370344901 /nfs/dbraw/zinc/34/49/01/1370344901.db2.gz LGIFKLWXFUXNHU-UHFFFAOYSA-N 2 1 329.532 3.015 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC001204142774 1370389050 /nfs/dbraw/zinc/38/90/50/1370389050.db2.gz VMWKATJKKJTSRK-UHFFFAOYSA-N 2 1 335.561 3.258 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)cc1 ZINC001204265398 1370425967 /nfs/dbraw/zinc/42/59/67/1370425967.db2.gz GNISEGOERKXIJQ-VQTJNVASSA-N 2 1 344.499 3.351 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)cc1 ZINC001204265398 1370425969 /nfs/dbraw/zinc/42/59/69/1370425969.db2.gz GNISEGOERKXIJQ-VQTJNVASSA-N 2 1 344.499 3.351 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)CCc2cccnc2)cc1 ZINC001204268120 1370426762 /nfs/dbraw/zinc/42/67/62/1370426762.db2.gz FZRBSXNHCUXRHY-UHFFFAOYSA-N 2 1 327.472 3.087 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC001204266909 1370426873 /nfs/dbraw/zinc/42/68/73/1370426873.db2.gz AZKOBTAOBGDJKN-FQEVSTJZSA-N 2 1 339.483 3.402 20 0 EGADMP C[C@H]1C[C@H]2C[N@@H+](Cc3ccc(OCCC[NH+](C)C)cc3)CC[C@H]2O1 ZINC001204266609 1370427207 /nfs/dbraw/zinc/42/72/07/1370427207.db2.gz YOHVJDUQKGDNAK-XKGZKEIXSA-N 2 1 332.488 3.016 20 0 EGADMP Cc1ccc(C[N@H+](C)Cc2ccc(OCCC[NH+](C)C)cc2)cn1 ZINC001204271554 1370428130 /nfs/dbraw/zinc/42/81/30/1370428130.db2.gz NMDMUXODPIYESW-UHFFFAOYSA-N 2 1 327.472 3.353 20 0 EGADMP COc1cc(Nc2cccc(CC[NH+]3CCOCC3)c2)[nH+]cc1C ZINC001204366306 1370454904 /nfs/dbraw/zinc/45/49/04/1370454904.db2.gz PPJKDGNMQNUOLW-UHFFFAOYSA-N 2 1 327.428 3.017 20 0 EGADMP CCOc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(OCC)c1 ZINC001204734680 1370558086 /nfs/dbraw/zinc/55/80/86/1370558086.db2.gz BIMDKBULNPOPII-UHFFFAOYSA-N 2 1 332.488 3.450 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](C)CC)CCCCC1 ZINC001115563125 1370562626 /nfs/dbraw/zinc/56/26/26/1370562626.db2.gz QULBIMDRZAGVID-MSOLQXFVSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115573207 1370575803 /nfs/dbraw/zinc/57/58/03/1370575803.db2.gz MSCLVMYUYIUIGL-GOSISDBHSA-N 2 1 337.552 3.314 20 0 EGADMP CCOc1c(Cl)cc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)cc1Cl ZINC001205239450 1370691869 /nfs/dbraw/zinc/69/18/69/1370691869.db2.gz BKUUEJZDXKUNML-MRXNPFEDSA-N 2 1 347.286 3.068 20 0 EGADMP CCOc1c(Cl)cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1Cl ZINC001205239450 1370691873 /nfs/dbraw/zinc/69/18/73/1370691873.db2.gz BKUUEJZDXKUNML-MRXNPFEDSA-N 2 1 347.286 3.068 20 0 EGADMP COc1ccc(-c2ccccc2)c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205247188 1370694509 /nfs/dbraw/zinc/69/45/09/1370694509.db2.gz CRHCDLCGFZOAGX-NRFANRHFSA-N 2 1 340.467 3.038 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)nc2)CC1 ZINC001205248603 1370695005 /nfs/dbraw/zinc/69/50/05/1370695005.db2.gz QHVXBKOTVUOXKZ-IBGZPJMESA-N 2 1 345.874 3.078 20 0 EGADMP CC/C=C/CC[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@H]2C)CCCCC1 ZINC001115729716 1370711806 /nfs/dbraw/zinc/71/18/06/1370711806.db2.gz QFVVFABHBHBGPR-SHCNBLLESA-N 2 1 335.536 3.236 20 0 EGADMP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730244 1370712798 /nfs/dbraw/zinc/71/27/98/1370712798.db2.gz GUWVEULWKRFWOH-OXUXSNCKSA-N 2 1 349.563 3.339 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C[C@@H]1C[NH3+] ZINC001205306700 1370715185 /nfs/dbraw/zinc/71/51/85/1370715185.db2.gz YXLASFURLBIRMU-WMZOPIPTSA-N 2 1 334.467 3.442 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001205340060 1370726286 /nfs/dbraw/zinc/72/62/86/1370726286.db2.gz QJFJBBIEQROVRM-KRWDZBQOSA-N 2 1 348.535 3.415 20 0 EGADMP CCCC[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001205340400 1370727139 /nfs/dbraw/zinc/72/71/39/1370727139.db2.gz YNWXTAYGVCKESL-MRXNPFEDSA-N 2 1 334.508 3.025 20 0 EGADMP COc1ccc(C(C)(C)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OC ZINC001205409244 1370747097 /nfs/dbraw/zinc/74/70/97/1370747097.db2.gz KBKBJWDIALIIFI-KRWDZBQOSA-N 2 1 334.504 3.398 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001205420228 1370749488 /nfs/dbraw/zinc/74/94/88/1370749488.db2.gz KNUMCULYSMFXCF-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461445 1370762348 /nfs/dbraw/zinc/76/23/48/1370762348.db2.gz JLBGYOGIGUCORJ-GOSISDBHSA-N 2 1 346.519 3.025 20 0 EGADMP CC(C)=CC[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205461560 1370762615 /nfs/dbraw/zinc/76/26/15/1370762615.db2.gz NMASKJHITQWHRB-IBGZPJMESA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001205483454 1370769351 /nfs/dbraw/zinc/76/93/51/1370769351.db2.gz DVVASTJOAFRHAF-PXPVJAHISA-N 2 1 335.536 3.045 20 0 EGADMP Cc1csc2nc(C)c(C[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)n12 ZINC001205540278 1370785052 /nfs/dbraw/zinc/78/50/52/1370785052.db2.gz FCBSZJQXUGBUKO-UHFFFAOYSA-N 2 1 332.517 3.320 20 0 EGADMP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546030 1370787880 /nfs/dbraw/zinc/78/78/80/1370787880.db2.gz PEKACPJNRFNLAL-SFNKJDCFSA-N 2 1 342.499 3.143 20 0 EGADMP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546030 1370787883 /nfs/dbraw/zinc/78/78/83/1370787883.db2.gz PEKACPJNRFNLAL-SFNKJDCFSA-N 2 1 342.499 3.143 20 0 EGADMP COc1cc(Cl)cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1OC ZINC001205559228 1370791141 /nfs/dbraw/zinc/79/11/41/1370791141.db2.gz PDLIQNCNCJDRFG-MRXNPFEDSA-N 2 1 330.831 3.010 20 0 EGADMP CC(C)[N@H+]1CCOC[C@]2(CCCN(Cc3ccc4[nH]ccc4c3)C2)C1 ZINC001205570430 1370795512 /nfs/dbraw/zinc/79/55/12/1370795512.db2.gz HROYKETZMQMRTD-NRFANRHFSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)N1CCOC[C@]2(CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)C1 ZINC001205570430 1370795516 /nfs/dbraw/zinc/79/55/16/1370795516.db2.gz HROYKETZMQMRTD-NRFANRHFSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc4[nH]ccc4c3)C2)C1 ZINC001205570430 1370795521 /nfs/dbraw/zinc/79/55/21/1370795521.db2.gz HROYKETZMQMRTD-NRFANRHFSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc4[nH]ccc4c3)C2)C1 ZINC001205570430 1370795525 /nfs/dbraw/zinc/79/55/25/1370795525.db2.gz HROYKETZMQMRTD-NRFANRHFSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)C1 ZINC001205570430 1370795529 /nfs/dbraw/zinc/79/55/29/1370795529.db2.gz HROYKETZMQMRTD-NRFANRHFSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)C1 ZINC001205570430 1370795530 /nfs/dbraw/zinc/79/55/30/1370795530.db2.gz HROYKETZMQMRTD-NRFANRHFSA-N 2 1 341.499 3.491 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)ccc1Br ZINC001205571352 1370795620 /nfs/dbraw/zinc/79/56/20/1370795620.db2.gz SYNZAOCNXGXJSK-OAHLLOKOSA-N 2 1 345.256 3.111 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1C(F)(F)F ZINC001205570093 1370795762 /nfs/dbraw/zinc/79/57/62/1370795762.db2.gz FQWQWEIQKRPBHJ-OAHLLOKOSA-N 2 1 334.357 3.367 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(OCc3ccccc3)ccn2)CC1 ZINC001205578436 1370797927 /nfs/dbraw/zinc/79/79/27/1370797927.db2.gz BXKTZOUEPVQFJW-FQEVSTJZSA-N 2 1 343.446 3.314 20 0 EGADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205578582 1370797992 /nfs/dbraw/zinc/79/79/92/1370797992.db2.gz GGENMCJHGOUNIX-HNNXBMFYSA-N 2 1 329.257 3.410 20 0 EGADMP CC(C)(C)C(=O)Nc1ccccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205592317 1370803685 /nfs/dbraw/zinc/80/36/85/1370803685.db2.gz SMVHEAYTAIHQPH-LJQANCHMSA-N 2 1 335.467 3.324 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1 ZINC001205602240 1370806566 /nfs/dbraw/zinc/80/65/66/1370806566.db2.gz HVVMSLPBXNLJCZ-APWZRJJASA-N 2 1 332.488 3.103 20 0 EGADMP COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205638853 1370823465 /nfs/dbraw/zinc/82/34/65/1370823465.db2.gz SPBIGHZZZWHNII-JSGCOSHPSA-N 2 1 341.293 3.265 20 0 EGADMP COc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1OCC1CC1 ZINC001205663341 1370833808 /nfs/dbraw/zinc/83/38/08/1370833808.db2.gz HWEDVGYOWNZZHL-WBVHZDCISA-N 2 1 332.488 3.291 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc(C(F)(F)F)cc2Cl)C1 ZINC001205689416 1370843144 /nfs/dbraw/zinc/84/31/44/1370843144.db2.gz OGMZUMMODPFBOO-CQSZACIVSA-N 2 1 336.785 3.035 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(C(F)(F)F)cc2Cl)C1 ZINC001205689416 1370843148 /nfs/dbraw/zinc/84/31/48/1370843148.db2.gz OGMZUMMODPFBOO-CQSZACIVSA-N 2 1 336.785 3.035 20 0 EGADMP C[N@H+]1CCc2ccc(-c3ccc(CC[NH+]4CCOCC4)cc3)cc2C1 ZINC001205687396 1370842224 /nfs/dbraw/zinc/84/22/24/1370842224.db2.gz UJLHLSMDZMCNRR-UHFFFAOYSA-N 2 1 336.479 3.216 20 0 EGADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC001205705115 1370846912 /nfs/dbraw/zinc/84/69/12/1370846912.db2.gz KCWHSUOZLVFPKR-INIZCTEOSA-N 2 1 329.448 3.029 20 0 EGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC001205705115 1370846918 /nfs/dbraw/zinc/84/69/18/1370846918.db2.gz KCWHSUOZLVFPKR-INIZCTEOSA-N 2 1 329.448 3.029 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001205717035 1370850288 /nfs/dbraw/zinc/85/02/88/1370850288.db2.gz OEYBYKZULYUATD-ARFHVFGLSA-N 2 1 339.524 3.142 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001205717035 1370850296 /nfs/dbraw/zinc/85/02/96/1370850296.db2.gz OEYBYKZULYUATD-ARFHVFGLSA-N 2 1 339.524 3.142 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2ncccc2C)CC1 ZINC001205813672 1370880924 /nfs/dbraw/zinc/88/09/24/1370880924.db2.gz DQQBZVHVBPMFJT-UHFFFAOYSA-N 2 1 332.536 3.020 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1[nH]nc2cc(C(F)(F)F)ccc21 ZINC001205923273 1370911864 /nfs/dbraw/zinc/91/18/64/1370911864.db2.gz MDGIZDYAYCWMMN-MNOVXSKESA-N 2 1 326.366 3.141 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001116449761 1370914967 /nfs/dbraw/zinc/91/49/67/1370914967.db2.gz STGXWKVDMYBMEB-IAGOWNOFSA-N 2 1 348.560 3.358 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC001116449761 1370914971 /nfs/dbraw/zinc/91/49/71/1370914971.db2.gz STGXWKVDMYBMEB-IAGOWNOFSA-N 2 1 348.560 3.358 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC001116449761 1370914973 /nfs/dbraw/zinc/91/49/73/1370914973.db2.gz STGXWKVDMYBMEB-IAGOWNOFSA-N 2 1 348.560 3.358 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2Br)CCC[C@H]1C[NH3+] ZINC001205994410 1370933083 /nfs/dbraw/zinc/93/30/83/1370933083.db2.gz LMIJDURXCWBAJK-NEPJUHHUSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cnc(Br)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206002886 1370934866 /nfs/dbraw/zinc/93/48/66/1370934866.db2.gz CGXYKFXGPUSOQA-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cnc(Br)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206002886 1370934870 /nfs/dbraw/zinc/93/48/70/1370934870.db2.gz CGXYKFXGPUSOQA-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(Br)c2F)CCC[C@@H]1C[NH3+] ZINC001206004740 1370935581 /nfs/dbraw/zinc/93/55/81/1370935581.db2.gz UVXWSCFUDJTTOV-NWDGAFQWSA-N 2 1 329.257 3.395 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206012040 1370938507 /nfs/dbraw/zinc/93/85/07/1370938507.db2.gz IDOQGGNAIYOTRO-STQMWFEESA-N 2 1 346.393 3.401 20 0 EGADMP Cc1nc(C)c(CN2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)s1 ZINC001206151337 1370972931 /nfs/dbraw/zinc/97/29/31/1370972931.db2.gz SUFWZMOJXDGPSI-SFHVURJKSA-N 2 1 337.533 3.083 20 0 EGADMP COc1ccc(-c2ncc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)s2)cc1 ZINC001206172878 1370979672 /nfs/dbraw/zinc/97/96/72/1370979672.db2.gz CIQFPSDMMKUONO-HOTGVXAUSA-N 2 1 335.448 3.080 20 0 EGADMP COc1ccc(-c2ncc(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)s2)cc1 ZINC001206172878 1370979673 /nfs/dbraw/zinc/97/96/73/1370979673.db2.gz CIQFPSDMMKUONO-HOTGVXAUSA-N 2 1 335.448 3.080 20 0 EGADMP COc1cc(OC)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c2ccccc12 ZINC001206210511 1370994139 /nfs/dbraw/zinc/99/41/39/1370994139.db2.gz KNXBJOYUBPYEOJ-IAGOWNOFSA-N 2 1 332.419 3.118 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(Cl)ncc2Br)CC1 ZINC001206310841 1371018128 /nfs/dbraw/zinc/01/81/28/1371018128.db2.gz DDIZZTGFVJFGQL-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(Cl)ncc2Br)CC1 ZINC001206310841 1371018130 /nfs/dbraw/zinc/01/81/30/1371018130.db2.gz DDIZZTGFVJFGQL-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP NC[C@]1(F)CCCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206336297 1371027153 /nfs/dbraw/zinc/02/71/53/1371027153.db2.gz LDPAECBPFMCVFU-HXUWFJFHSA-N 3 1 333.495 3.052 20 0 EGADMP [NH3+]C[C@]1(F)CCCCN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206336297 1371027154 /nfs/dbraw/zinc/02/71/54/1371027154.db2.gz LDPAECBPFMCVFU-HXUWFJFHSA-N 3 1 333.495 3.052 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C[C@H]1O ZINC001206470254 1371064824 /nfs/dbraw/zinc/06/48/24/1371064824.db2.gz VQXXUZOQNXPGTI-ZUZCIYMTSA-N 2 1 341.238 3.005 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C[C@H]1O ZINC001206470254 1371064840 /nfs/dbraw/zinc/06/48/40/1371064840.db2.gz VQXXUZOQNXPGTI-ZUZCIYMTSA-N 2 1 341.238 3.005 20 0 EGADMP C[C@@]1(C[NH3+])CCCCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001206540138 1371087457 /nfs/dbraw/zinc/08/74/57/1371087457.db2.gz AMCUNDJFUUSYQR-RTWAWAEBSA-N 2 1 329.532 3.492 20 0 EGADMP CC(C)[N@H+](C[C@H](C)Cc1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]CC1 ZINC001206581443 1371099431 /nfs/dbraw/zinc/09/94/31/1371099431.db2.gz IWGXAMYRPZABFS-SJLPKXTDSA-N 2 1 332.488 3.446 20 0 EGADMP COC(=O)c1c(Cl)cccc1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206606299 1371107752 /nfs/dbraw/zinc/10/77/52/1371107752.db2.gz KAILPUNQLLJFMU-HNNXBMFYSA-N 2 1 338.879 3.479 20 0 EGADMP COC(=O)c1c(Cl)cccc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206606299 1371107754 /nfs/dbraw/zinc/10/77/54/1371107754.db2.gz KAILPUNQLLJFMU-HNNXBMFYSA-N 2 1 338.879 3.479 20 0 EGADMP CC(C)Oc1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(F)cn1 ZINC001206630937 1371114022 /nfs/dbraw/zinc/11/40/22/1371114022.db2.gz ZOEOLTAOLFKEJP-UHFFFAOYSA-N 2 1 326.375 3.009 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2c(Br)[nH]c3ccccc32)C1 ZINC001206631815 1371114359 /nfs/dbraw/zinc/11/43/59/1371114359.db2.gz ABSBKIHWPGEPBU-LBPRGKRZSA-N 2 1 336.277 3.491 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c(Br)[nH]c3ccccc32)C1 ZINC001206631815 1371114363 /nfs/dbraw/zinc/11/43/63/1371114363.db2.gz ABSBKIHWPGEPBU-LBPRGKRZSA-N 2 1 336.277 3.491 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC001206648062 1371117835 /nfs/dbraw/zinc/11/78/35/1371117835.db2.gz LMCFFLOUKLWVDI-GOSISDBHSA-N 2 1 325.456 3.221 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC001206648062 1371117841 /nfs/dbraw/zinc/11/78/41/1371117841.db2.gz LMCFFLOUKLWVDI-GOSISDBHSA-N 2 1 325.456 3.221 20 0 EGADMP Cc1cc(F)cc(Br)c1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206646463 1371118018 /nfs/dbraw/zinc/11/80/18/1371118018.db2.gz CMIWGHFZABVNNE-LBPRGKRZSA-N 2 1 329.257 3.457 20 0 EGADMP Cc1cc(F)cc(Br)c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206646463 1371118023 /nfs/dbraw/zinc/11/80/23/1371118023.db2.gz CMIWGHFZABVNNE-LBPRGKRZSA-N 2 1 329.257 3.457 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC001206646969 1371118092 /nfs/dbraw/zinc/11/80/92/1371118092.db2.gz FSYLZQXJODOFCK-LLVKDONJSA-N 2 1 338.249 3.151 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC001206646969 1371118094 /nfs/dbraw/zinc/11/80/94/1371118094.db2.gz FSYLZQXJODOFCK-LLVKDONJSA-N 2 1 338.249 3.151 20 0 EGADMP COc1cc(C)ccc1CN1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001206747874 1371152223 /nfs/dbraw/zinc/15/22/23/1371152223.db2.gz BMKPWNUYMZBAJM-NRFANRHFSA-N 2 1 346.515 3.326 20 0 EGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc2cc(Br)ccc2[nH]1 ZINC001206768735 1371158422 /nfs/dbraw/zinc/15/84/22/1371158422.db2.gz LWJXNMQNOJQNMQ-NEPJUHHUSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CCCc1cccc(Br)c1 ZINC001206761334 1371157134 /nfs/dbraw/zinc/15/71/34/1371157134.db2.gz WYRZYCDRJVHVDI-UKRRQHHQSA-N 2 1 325.294 3.441 20 0 EGADMP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1c[nH]c2cccc(Br)c12 ZINC001206769308 1371158925 /nfs/dbraw/zinc/15/89/25/1371158925.db2.gz OJQHHEHSIARIDK-NWDGAFQWSA-N 2 1 336.277 3.490 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cc2)n1 ZINC001118289140 1371159387 /nfs/dbraw/zinc/15/93/87/1371159387.db2.gz VDDIIOFFTLAZRV-UHFFFAOYSA-N 2 1 338.499 3.455 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001206779534 1371163245 /nfs/dbraw/zinc/16/32/45/1371163245.db2.gz ITJAMYLIGJRSBI-INIZCTEOSA-N 2 1 349.494 3.057 20 0 EGADMP Cc1ncc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1C ZINC001118484245 1371188794 /nfs/dbraw/zinc/18/87/94/1371188794.db2.gz DXPODWMJBSKUQP-IHWFROFDSA-N 2 1 338.499 3.404 20 0 EGADMP Cc1ncc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1C ZINC001118484245 1371188796 /nfs/dbraw/zinc/18/87/96/1371188796.db2.gz DXPODWMJBSKUQP-IHWFROFDSA-N 2 1 338.499 3.404 20 0 EGADMP [NH3+][C@@H](C(=O)Nc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1F ZINC001118506819 1371190716 /nfs/dbraw/zinc/19/07/16/1371190716.db2.gz PQSRVXIOESDCQF-GOSISDBHSA-N 2 1 345.393 3.199 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001206890498 1371209410 /nfs/dbraw/zinc/20/94/10/1371209410.db2.gz VCLJKUWCKFOIHR-INIZCTEOSA-N 2 1 349.494 3.057 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001206952302 1371242418 /nfs/dbraw/zinc/24/24/18/1371242418.db2.gz IVZCOPMPJGMQHP-VOFKWLDRSA-N 2 1 335.536 3.045 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001206954921 1371245044 /nfs/dbraw/zinc/24/50/44/1371245044.db2.gz DHTDOXQSPCRHGO-JMKDSLFWSA-N 2 1 335.536 3.042 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001206954921 1371245047 /nfs/dbraw/zinc/24/50/47/1371245047.db2.gz DHTDOXQSPCRHGO-JMKDSLFWSA-N 2 1 335.536 3.042 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001206954921 1371245052 /nfs/dbraw/zinc/24/50/52/1371245052.db2.gz DHTDOXQSPCRHGO-JMKDSLFWSA-N 2 1 335.536 3.042 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1C ZINC001207008228 1371266100 /nfs/dbraw/zinc/26/61/00/1371266100.db2.gz VFEPNJTXOSBLOH-KZNAEPCWSA-N 2 1 348.535 3.269 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001207008228 1371266106 /nfs/dbraw/zinc/26/61/06/1371266106.db2.gz VFEPNJTXOSBLOH-KZNAEPCWSA-N 2 1 348.535 3.269 20 0 EGADMP O=c1cccc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)[nH]1 ZINC001207070086 1371284429 /nfs/dbraw/zinc/28/44/29/1371284429.db2.gz FXNFMCUXBZOUIM-GMLUQMLDSA-N 2 1 339.483 3.182 20 0 EGADMP O=c1cccc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)[nH]1 ZINC001207070086 1371284434 /nfs/dbraw/zinc/28/44/34/1371284434.db2.gz FXNFMCUXBZOUIM-GMLUQMLDSA-N 2 1 339.483 3.182 20 0 EGADMP O=c1cccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)[nH]1 ZINC001207070086 1371284437 /nfs/dbraw/zinc/28/44/37/1371284437.db2.gz FXNFMCUXBZOUIM-GMLUQMLDSA-N 2 1 339.483 3.182 20 0 EGADMP O=c1cccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)[nH]1 ZINC001207070086 1371284442 /nfs/dbraw/zinc/28/44/42/1371284442.db2.gz FXNFMCUXBZOUIM-GMLUQMLDSA-N 2 1 339.483 3.182 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001207278871 1371348524 /nfs/dbraw/zinc/34/85/24/1371348524.db2.gz FLFABJSFJBWUQY-IBGZPJMESA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001207278871 1371348532 /nfs/dbraw/zinc/34/85/32/1371348532.db2.gz FLFABJSFJBWUQY-IBGZPJMESA-N 2 1 339.524 3.050 20 0 EGADMP Cc1ccc(N2C[C@]3(CC[N@H+](CC(C)(C)C[NH+](C)C)C3)CC2=O)cc1 ZINC001207282995 1371350056 /nfs/dbraw/zinc/35/00/56/1371350056.db2.gz ZXPURFQQEYAMAW-OAQYLSRUSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@@H+](CC(C)(C)C[NH+](C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207285178 1371350480 /nfs/dbraw/zinc/35/04/80/1371350480.db2.gz ZZCQCLBNOYKDOF-INIZCTEOSA-N 2 1 341.540 3.294 20 0 EGADMP C[NH+](C)CC(C)(C)CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207288201 1371351372 /nfs/dbraw/zinc/35/13/72/1371351372.db2.gz JIXFKIXRCRBXNO-PMACEKPBSA-N 3 1 329.532 3.028 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@]4(C3)CCCOC4)CC2)cc1 ZINC001207292727 1371352502 /nfs/dbraw/zinc/35/25/02/1371352502.db2.gz XOGAKDULWIIMQC-NRFANRHFSA-N 2 1 328.500 3.401 20 0 EGADMP O=C1CCC[C@@H]2C[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@@H]12 ZINC001207293939 1371353763 /nfs/dbraw/zinc/35/37/63/1371353763.db2.gz CXZZRLSSVOPQEB-WOJBJXKFSA-N 2 1 326.484 3.200 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001207399127 1371383618 /nfs/dbraw/zinc/38/36/18/1371383618.db2.gz BQQPGLGLVLFGRQ-QFIPXVFZSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001207399127 1371383621 /nfs/dbraw/zinc/38/36/21/1371383621.db2.gz BQQPGLGLVLFGRQ-QFIPXVFZSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001207399127 1371383627 /nfs/dbraw/zinc/38/36/27/1371383627.db2.gz BQQPGLGLVLFGRQ-QFIPXVFZSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C[N@@H+]2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001207399127 1371383629 /nfs/dbraw/zinc/38/36/29/1371383629.db2.gz BQQPGLGLVLFGRQ-QFIPXVFZSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001207399127 1371383634 /nfs/dbraw/zinc/38/36/34/1371383634.db2.gz BQQPGLGLVLFGRQ-QFIPXVFZSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCN(C(=O)OC(C)(C)C)C3=CCCC[C@H]32)CC1 ZINC001207402945 1371386120 /nfs/dbraw/zinc/38/61/20/1371386120.db2.gz PFOFFCJSKSMMFK-QGZVFWFLSA-N 2 1 349.519 3.317 20 0 EGADMP CCC[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207402097 1371386145 /nfs/dbraw/zinc/38/61/45/1371386145.db2.gz WKNGFPHXKAZOPC-KRWDZBQOSA-N 2 1 339.524 3.050 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)[C@H](c2ccccc2)C1 ZINC001207486769 1371410711 /nfs/dbraw/zinc/41/07/11/1371410711.db2.gz CPNCHGDORMETOH-PMACEKPBSA-N 2 1 344.499 3.345 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207537675 1371429643 /nfs/dbraw/zinc/42/96/43/1371429643.db2.gz GONHRTUWFGZNQM-FBYXPACISA-N 2 1 349.563 3.147 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001207537675 1371429645 /nfs/dbraw/zinc/42/96/45/1371429645.db2.gz GONHRTUWFGZNQM-FBYXPACISA-N 2 1 349.563 3.147 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001207537675 1371429650 /nfs/dbraw/zinc/42/96/50/1371429650.db2.gz GONHRTUWFGZNQM-FBYXPACISA-N 2 1 349.563 3.147 20 0 EGADMP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001207547077 1371432338 /nfs/dbraw/zinc/43/23/38/1371432338.db2.gz KBQFIUYABTVAEF-BRWVUGGUSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001207547077 1371432344 /nfs/dbraw/zinc/43/23/44/1371432344.db2.gz KBQFIUYABTVAEF-BRWVUGGUSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207617355 1371453226 /nfs/dbraw/zinc/45/32/26/1371453226.db2.gz RNUJAYFSMCANNP-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001207617355 1371453227 /nfs/dbraw/zinc/45/32/27/1371453227.db2.gz RNUJAYFSMCANNP-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001207617355 1371453228 /nfs/dbraw/zinc/45/32/28/1371453228.db2.gz RNUJAYFSMCANNP-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP Fc1cccc(F)c1-n1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)n1 ZINC001326278934 1388140072 /nfs/dbraw/zinc/14/00/72/1388140072.db2.gz ZZZDRVTZPAEMSQ-UHFFFAOYSA-N 2 1 346.425 3.116 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001120207840 1371504026 /nfs/dbraw/zinc/50/40/26/1371504026.db2.gz IOHRQFPVSHERPS-IBGZPJMESA-N 2 1 349.563 3.460 20 0 EGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](CC2(c3ccccc3)CC2)CC1 ZINC001207838665 1371516460 /nfs/dbraw/zinc/51/64/60/1371516460.db2.gz NUAJZFKBPOFBFS-FQEVSTJZSA-N 2 1 328.500 3.293 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](CC2(c3ccccc3)CC2)CC1 ZINC001207838665 1371516462 /nfs/dbraw/zinc/51/64/62/1371516462.db2.gz NUAJZFKBPOFBFS-FQEVSTJZSA-N 2 1 328.500 3.293 20 0 EGADMP CC1(C)OC[C@H](C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)O1 ZINC001207932861 1371542335 /nfs/dbraw/zinc/54/23/35/1371542335.db2.gz QDPARASSHKXKGQ-FPOVZHCZSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@H](C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)O1 ZINC001207932861 1371542336 /nfs/dbraw/zinc/54/23/36/1371542336.db2.gz QDPARASSHKXKGQ-FPOVZHCZSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@H](C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)O1 ZINC001207932861 1371542337 /nfs/dbraw/zinc/54/23/37/1371542337.db2.gz QDPARASSHKXKGQ-FPOVZHCZSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@H](C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)O1 ZINC001207932861 1371542338 /nfs/dbraw/zinc/54/23/38/1371542338.db2.gz QDPARASSHKXKGQ-FPOVZHCZSA-N 2 1 344.499 3.126 20 0 EGADMP Cc1noc(C)c1C[N@H+]1CCCC12CCN(C[C@H]1CCCCO1)CC2 ZINC001207958327 1371551565 /nfs/dbraw/zinc/55/15/65/1371551565.db2.gz FCYXYLMBRYMDHZ-GOSISDBHSA-N 2 1 347.503 3.291 20 0 EGADMP Cc1noc(C)c1CN1CCCC12CC[NH+](C[C@H]1CCCCO1)CC2 ZINC001207958327 1371551569 /nfs/dbraw/zinc/55/15/69/1371551569.db2.gz FCYXYLMBRYMDHZ-GOSISDBHSA-N 2 1 347.503 3.291 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014995 1371569423 /nfs/dbraw/zinc/56/94/23/1371569423.db2.gz VRBMJXRQLTWSTH-PWBPZBFBSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208048161 1371579623 /nfs/dbraw/zinc/57/96/23/1371579623.db2.gz BYBVMQFTMMQLTN-MOPGFXCFSA-N 2 1 347.547 3.188 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@@H]([NH2+]CCCC(C)C)C1 ZINC001208074142 1371588353 /nfs/dbraw/zinc/58/83/53/1371588353.db2.gz SQWPAZLUUPLZNJ-QZTJIDSGSA-N 2 1 348.535 3.413 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001208073765 1371588416 /nfs/dbraw/zinc/58/84/16/1371588416.db2.gz OQMGZMBLQPXQFS-DLBZAZTESA-N 2 1 348.535 3.413 20 0 EGADMP COc1cccc(O[C@H]2CCC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)c1 ZINC001208106123 1371597154 /nfs/dbraw/zinc/59/71/54/1371597154.db2.gz FVBWPLHVDRKAKE-IBGZPJMESA-N 2 1 332.488 3.270 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208114183 1371600309 /nfs/dbraw/zinc/60/03/09/1371600309.db2.gz TVAYGWLJYRNDTM-HOTGVXAUSA-N 2 1 339.524 3.096 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208164007 1371614661 /nfs/dbraw/zinc/61/46/61/1371614661.db2.gz NVYDINYUABRXED-YZBXUTEPSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC1(C[NH+](C)C)CCCC1 ZINC001208189294 1371629952 /nfs/dbraw/zinc/62/99/52/1371629952.db2.gz UDYUZTBLBAARIS-LJQANCHMSA-N 2 1 329.532 3.315 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](CCc3cccc(F)c3)C2)C1 ZINC001208196150 1371636020 /nfs/dbraw/zinc/63/60/20/1371636020.db2.gz WRCUUDMCNPDMTC-HXUWFJFHSA-N 2 1 334.479 3.191 20 0 EGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](CCc3cccc(F)c3)C2)C1 ZINC001208196150 1371636024 /nfs/dbraw/zinc/63/60/24/1371636024.db2.gz WRCUUDMCNPDMTC-HXUWFJFHSA-N 2 1 334.479 3.191 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](CCc3cccc(F)c3)C2)C1 ZINC001208196150 1371636030 /nfs/dbraw/zinc/63/60/30/1371636030.db2.gz WRCUUDMCNPDMTC-HXUWFJFHSA-N 2 1 334.479 3.191 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](CCc3cccc(F)c3)C2)C1 ZINC001208196150 1371636032 /nfs/dbraw/zinc/63/60/32/1371636032.db2.gz WRCUUDMCNPDMTC-HXUWFJFHSA-N 2 1 334.479 3.191 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331874 1371721618 /nfs/dbraw/zinc/72/16/18/1371721618.db2.gz XUOGBEBGNGIURI-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@H]1C)[NH+](CC)CC ZINC001208570949 1371821536 /nfs/dbraw/zinc/82/15/36/1371821536.db2.gz DRKSXXQOCSRHOY-RLLQIKCJSA-N 2 1 345.531 3.052 20 0 EGADMP C[NH+]1CCC2(CN(C[C@H]3CCCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001208590647 1371831230 /nfs/dbraw/zinc/83/12/30/1371831230.db2.gz FEMHSFDBXSPMQD-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC2(C[NH+](C[C@H]3CCCCN3Cc3ccccc3)C2)CC1 ZINC001208590647 1371831233 /nfs/dbraw/zinc/83/12/33/1371831233.db2.gz FEMHSFDBXSPMQD-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CC([NH+]3CCCCC3)C2)cc1 ZINC001208591374 1371831291 /nfs/dbraw/zinc/83/12/91/1371831291.db2.gz JNZNMAUBOLQCQA-HXUWFJFHSA-N 2 1 327.516 3.211 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208592855 1371831625 /nfs/dbraw/zinc/83/16/25/1371831625.db2.gz LLVZZGSGLFXBLJ-QGZVFWFLSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001208595177 1371833827 /nfs/dbraw/zinc/83/38/27/1371833827.db2.gz RFFFWCCCYWRWKN-FQEVSTJZSA-N 2 1 344.499 3.316 20 0 EGADMP C(C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1)C1CC1 ZINC001208681214 1371859028 /nfs/dbraw/zinc/85/90/28/1371859028.db2.gz QJEVYKSHLIKHKA-RTWAWAEBSA-N 2 1 332.532 3.247 20 0 EGADMP C(C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1)C1CC1 ZINC001208681214 1371859032 /nfs/dbraw/zinc/85/90/32/1371859032.db2.gz QJEVYKSHLIKHKA-RTWAWAEBSA-N 2 1 332.532 3.247 20 0 EGADMP C(C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1)C1CC1 ZINC001208681214 1371859036 /nfs/dbraw/zinc/85/90/36/1371859036.db2.gz QJEVYKSHLIKHKA-RTWAWAEBSA-N 2 1 332.532 3.247 20 0 EGADMP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001121134158 1371862757 /nfs/dbraw/zinc/86/27/57/1371862757.db2.gz VQAAARWIIAPCBK-PVRWVVQVSA-N 2 1 347.547 3.090 20 0 EGADMP CC(C)CC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208771220 1371891250 /nfs/dbraw/zinc/89/12/50/1371891250.db2.gz XIHZDILDONHZBD-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP OCC[C@H]1CC12CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208930433 1371949666 /nfs/dbraw/zinc/94/96/66/1371949666.db2.gz BDOAMVITXDWGHB-RTWAWAEBSA-N 2 1 342.527 3.383 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CC[C@@H]4OCCC[C@H]4C3)C2)cc1 ZINC001208932330 1371950974 /nfs/dbraw/zinc/95/09/74/1371950974.db2.gz OTMPYPLJGLLYGE-ACRUOGEOSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC[C@@H]4OCCC[C@H]4C3)C2)cc1 ZINC001208932330 1371950976 /nfs/dbraw/zinc/95/09/76/1371950976.db2.gz OTMPYPLJGLLYGE-ACRUOGEOSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)C2)cc1 ZINC001208932330 1371950980 /nfs/dbraw/zinc/95/09/80/1371950980.db2.gz OTMPYPLJGLLYGE-ACRUOGEOSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CC[C@@H]4OCCC[C@H]4C3)C2)cc1 ZINC001208932330 1371950983 /nfs/dbraw/zinc/95/09/83/1371950983.db2.gz OTMPYPLJGLLYGE-ACRUOGEOSA-N 2 1 328.500 3.400 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@]1(C)O ZINC001208932875 1371952531 /nfs/dbraw/zinc/95/25/31/1371952531.db2.gz RSMGADHWMMCSMU-NRSPTQNISA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@]1(C)O ZINC001208932875 1371952538 /nfs/dbraw/zinc/95/25/38/1371952538.db2.gz RSMGADHWMMCSMU-NRSPTQNISA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@]1(C)O ZINC001208932875 1371952545 /nfs/dbraw/zinc/95/25/45/1371952545.db2.gz RSMGADHWMMCSMU-NRSPTQNISA-N 2 1 330.516 3.382 20 0 EGADMP OCc1ccc2c(c1)CC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208940430 1371953188 /nfs/dbraw/zinc/95/31/88/1371953188.db2.gz DDXUGRVMFUEDMZ-FQEVSTJZSA-N 2 1 336.479 3.059 20 0 EGADMP OCc1ccc2c(c1)CC[N@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208940430 1371953190 /nfs/dbraw/zinc/95/31/90/1371953190.db2.gz DDXUGRVMFUEDMZ-FQEVSTJZSA-N 2 1 336.479 3.059 20 0 EGADMP OCc1ccc2c(c1)CC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208940430 1371953194 /nfs/dbraw/zinc/95/31/94/1371953194.db2.gz DDXUGRVMFUEDMZ-FQEVSTJZSA-N 2 1 336.479 3.059 20 0 EGADMP OCc1ccc2c(c1)CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208940430 1371953196 /nfs/dbraw/zinc/95/31/96/1371953196.db2.gz DDXUGRVMFUEDMZ-FQEVSTJZSA-N 2 1 336.479 3.059 20 0 EGADMP Cc1noc(C2CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208952125 1371959886 /nfs/dbraw/zinc/95/98/86/1371959886.db2.gz HJZSTIYJFHXZMD-SFHVURJKSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1noc(C2CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208952125 1371959890 /nfs/dbraw/zinc/95/98/90/1371959890.db2.gz HJZSTIYJFHXZMD-SFHVURJKSA-N 2 1 340.471 3.080 20 0 EGADMP F[C@H]1CN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@H]1[NH+]1CCCC1 ZINC001208965438 1371965316 /nfs/dbraw/zinc/96/53/16/1371965316.db2.gz ZSGMEZLUDKORCL-QHAWAJNXSA-N 2 1 345.506 3.017 20 0 EGADMP CCOC(C)(C)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001209075072 1371991248 /nfs/dbraw/zinc/99/12/48/1371991248.db2.gz NQTCBHLNGAMKMO-UHFFFAOYSA-N 2 1 346.515 3.169 20 0 EGADMP CC(=O)OC(C)(C)CCC[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001209152255 1372016633 /nfs/dbraw/zinc/01/66/33/1372016633.db2.gz YNURVRFFXJOEII-UHFFFAOYSA-N 2 1 333.476 3.051 20 0 EGADMP c1csc(CN2C[C@@H]3C[N@@H+](CCCc4cccnc4)C[C@@H]3C2)c1 ZINC001209175040 1372025132 /nfs/dbraw/zinc/02/51/32/1372025132.db2.gz YPECIZRVBFCXQB-HDICACEKSA-N 2 1 327.497 3.140 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[N@H+](CCCc4cccnc4)C[C@H]3C2)c1 ZINC001209175040 1372025137 /nfs/dbraw/zinc/02/51/37/1372025137.db2.gz YPECIZRVBFCXQB-HDICACEKSA-N 2 1 327.497 3.140 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](CCCc4cccnc4)C[C@H]3C2)c1 ZINC001209175040 1372025140 /nfs/dbraw/zinc/02/51/40/1372025140.db2.gz YPECIZRVBFCXQB-HDICACEKSA-N 2 1 327.497 3.140 20 0 EGADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](CCCc4cccnc4)C[C@H]3C2)c1 ZINC001209175040 1372025146 /nfs/dbraw/zinc/02/51/46/1372025146.db2.gz YPECIZRVBFCXQB-HDICACEKSA-N 2 1 327.497 3.140 20 0 EGADMP c1csc(C[N@H+]2C[C@H]3C[NH+](CCCc4cccnc4)C[C@H]3C2)c1 ZINC001209175040 1372025151 /nfs/dbraw/zinc/02/51/51/1372025151.db2.gz YPECIZRVBFCXQB-HDICACEKSA-N 2 1 327.497 3.140 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001121616239 1372025727 /nfs/dbraw/zinc/02/57/27/1372025727.db2.gz DXQSKSXJDRXMHV-PMRGXDQWSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001121767389 1372074898 /nfs/dbraw/zinc/07/48/98/1372074898.db2.gz DLXHVKKVFCWOES-GUYFDXGHSA-N 2 1 349.563 3.314 20 0 EGADMP C[N@H+](CCCCCCNC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209353038 1372076118 /nfs/dbraw/zinc/07/61/18/1372076118.db2.gz IXGGTLSQOCBCQJ-UHFFFAOYSA-N 2 1 327.513 3.098 20 0 EGADMP C[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209353038 1372076126 /nfs/dbraw/zinc/07/61/26/1372076126.db2.gz IXGGTLSQOCBCQJ-UHFFFAOYSA-N 2 1 327.513 3.098 20 0 EGADMP C[C@@H]1C[C@@H](C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C[C@H](C)O1 ZINC001209380591 1372083812 /nfs/dbraw/zinc/08/38/12/1372083812.db2.gz MDYOXSVQRAFGHK-CWQOZTLDSA-N 2 1 334.529 3.315 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C[C@@H]3C[C@@H](C)O[C@@H](C)C3)C2)C1 ZINC001209381923 1372084840 /nfs/dbraw/zinc/08/48/40/1372084840.db2.gz PZKRDOAXPACZGJ-YRPNKDGESA-N 2 1 338.536 3.013 20 0 EGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C[C@@H]3C[C@@H](C)O[C@@H](C)C3)C2)C1 ZINC001209381923 1372084842 /nfs/dbraw/zinc/08/48/42/1372084842.db2.gz PZKRDOAXPACZGJ-YRPNKDGESA-N 2 1 338.536 3.013 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C[C@@H]3C[C@@H](C)O[C@@H](C)C3)C2)C1 ZINC001209381923 1372084844 /nfs/dbraw/zinc/08/48/44/1372084844.db2.gz PZKRDOAXPACZGJ-YRPNKDGESA-N 2 1 338.536 3.013 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C[C@@H]3C[C@@H](C)O[C@@H](C)C3)C2)C1 ZINC001209381923 1372084847 /nfs/dbraw/zinc/08/48/47/1372084847.db2.gz PZKRDOAXPACZGJ-YRPNKDGESA-N 2 1 338.536 3.013 20 0 EGADMP COC(C)(C)CC[N@H+]1C[C@@H]2CCC[C@H](N(C)Cc3ccccn3)[C@H]2C1 ZINC001209408123 1372096356 /nfs/dbraw/zinc/09/63/56/1372096356.db2.gz ZDFHZQGCQHLJFE-IHPCNDPISA-N 2 1 345.531 3.429 20 0 EGADMP COC(C)(C)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209408123 1372096363 /nfs/dbraw/zinc/09/63/63/1372096363.db2.gz ZDFHZQGCQHLJFE-IHPCNDPISA-N 2 1 345.531 3.429 20 0 EGADMP COC(C)(C)CC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209408123 1372096368 /nfs/dbraw/zinc/09/63/68/1372096368.db2.gz ZDFHZQGCQHLJFE-IHPCNDPISA-N 2 1 345.531 3.429 20 0 EGADMP COC(C)(C)CC[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209408123 1372096372 /nfs/dbraw/zinc/09/63/72/1372096372.db2.gz ZDFHZQGCQHLJFE-IHPCNDPISA-N 2 1 345.531 3.429 20 0 EGADMP COC(C)(C)CC[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209408123 1372096374 /nfs/dbraw/zinc/09/63/74/1372096374.db2.gz ZDFHZQGCQHLJFE-IHPCNDPISA-N 2 1 345.531 3.429 20 0 EGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](C[C@@H]1C[C@H]1C)CC2 ZINC001209414870 1372099663 /nfs/dbraw/zinc/09/96/63/1372099663.db2.gz MYHOHVPVMNZFDC-HBFSDRIKSA-N 2 1 343.515 3.041 20 0 EGADMP C[C@H]1C[C@@H]1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001209414376 1372099707 /nfs/dbraw/zinc/09/97/07/1372099707.db2.gz LVQOJIFOTUWLTQ-CZGNIMDHSA-N 2 1 332.532 3.103 20 0 EGADMP C[C@H]1C[C@@H]1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001209414376 1372099711 /nfs/dbraw/zinc/09/97/11/1372099711.db2.gz LVQOJIFOTUWLTQ-CZGNIMDHSA-N 2 1 332.532 3.103 20 0 EGADMP C[C@H]1C[C@@H]1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001209414376 1372099715 /nfs/dbraw/zinc/09/97/15/1372099715.db2.gz LVQOJIFOTUWLTQ-CZGNIMDHSA-N 2 1 332.532 3.103 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC001209450388 1372109732 /nfs/dbraw/zinc/10/97/32/1372109732.db2.gz IFJLPCURGGYQQO-QGZVFWFLSA-N 2 1 339.524 3.242 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001209560889 1372136866 /nfs/dbraw/zinc/13/68/66/1372136866.db2.gz ALQZGAZGGIFPHB-UYAOXDASSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001209560889 1372136870 /nfs/dbraw/zinc/13/68/70/1372136870.db2.gz ALQZGAZGGIFPHB-UYAOXDASSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C ZINC001209560889 1372136875 /nfs/dbraw/zinc/13/68/75/1372136875.db2.gz ALQZGAZGGIFPHB-UYAOXDASSA-N 2 1 349.563 3.435 20 0 EGADMP [NH3+]C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CCCCCC1 ZINC001121971821 1372139131 /nfs/dbraw/zinc/13/91/31/1372139131.db2.gz HKSVOQSTXXFDDG-HOJAQTOUSA-N 2 1 347.547 3.007 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001209632927 1372157048 /nfs/dbraw/zinc/15/70/48/1372157048.db2.gz PETJWGUVXUFHNS-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(F)cc1Cl ZINC001209668291 1372166127 /nfs/dbraw/zinc/16/61/27/1372166127.db2.gz YGBHACGSRCDVIC-UHFFFAOYSA-N 2 1 326.843 3.405 20 0 EGADMP CCCCCC[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001122101178 1372174369 /nfs/dbraw/zinc/17/43/69/1372174369.db2.gz HLLXRQJFTKVQNQ-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001210132400 1372277700 /nfs/dbraw/zinc/27/77/00/1372277700.db2.gz ARRRUNHNGRYDSL-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001210133798 1372278153 /nfs/dbraw/zinc/27/81/53/1372278153.db2.gz SDKQRMZJJPWJKP-GOSISDBHSA-N 2 1 334.508 3.133 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(CN2CC[NH2+]C[C@@H]2c2ccccc2)cc1 ZINC001210215748 1372295848 /nfs/dbraw/zinc/29/58/48/1372295848.db2.gz MQNSGDHDJDBGNO-OAQYLSRUSA-N 2 1 332.451 3.327 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001210781761 1372425633 /nfs/dbraw/zinc/42/56/33/1372425633.db2.gz BZEMCBGAQDPREL-LJQANCHMSA-N 2 1 345.531 3.034 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC001210811133 1372430785 /nfs/dbraw/zinc/43/07/85/1372430785.db2.gz JRNSBOXBGGWQBV-RBUKOAKNSA-N 2 1 349.494 3.199 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094881 1372484623 /nfs/dbraw/zinc/48/46/23/1372484623.db2.gz WSTUXMNAFUFEQZ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001211257934 1372514137 /nfs/dbraw/zinc/51/41/37/1372514137.db2.gz XLCDCFVCRDKZBY-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001211367076 1372541038 /nfs/dbraw/zinc/54/10/38/1372541038.db2.gz NMOGYCCKAVGALC-JMKDSLFWSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001211367076 1372541046 /nfs/dbraw/zinc/54/10/46/1372541046.db2.gz NMOGYCCKAVGALC-JMKDSLFWSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001211367076 1372541048 /nfs/dbraw/zinc/54/10/48/1372541048.db2.gz NMOGYCCKAVGALC-JMKDSLFWSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211366850 1372541296 /nfs/dbraw/zinc/54/12/96/1372541296.db2.gz LZQQMSXHZLHYKF-JCHUFIKGSA-N 2 1 349.563 3.290 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211371166 1372542332 /nfs/dbraw/zinc/54/23/32/1372542332.db2.gz LBSINRORLUJDPY-ATZDWAIDSA-N 2 1 349.494 3.054 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211371166 1372542337 /nfs/dbraw/zinc/54/23/37/1372542337.db2.gz LBSINRORLUJDPY-ATZDWAIDSA-N 2 1 349.494 3.054 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211371166 1372542340 /nfs/dbraw/zinc/54/23/40/1372542340.db2.gz LBSINRORLUJDPY-ATZDWAIDSA-N 2 1 349.494 3.054 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211376109 1372544060 /nfs/dbraw/zinc/54/40/60/1372544060.db2.gz GXYWJHIBHBQFCC-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211377229 1372545108 /nfs/dbraw/zinc/54/51/08/1372545108.db2.gz SRPKPKFPUFBJNX-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001214845336 1373128658 /nfs/dbraw/zinc/12/86/58/1373128658.db2.gz OOQHKOVOLLYAFZ-FBYXPACISA-N 2 1 349.563 3.147 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+][C@@H](CC)c1ccccc1 ZINC001127678266 1373158600 /nfs/dbraw/zinc/15/86/00/1373158600.db2.gz ACBACFKUASAZHO-AEFFLSMTSA-N 2 1 342.487 3.254 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001216323592 1373299978 /nfs/dbraw/zinc/29/99/78/1373299978.db2.gz HTIVYOAZRCZTQO-YGUXGDEESA-N 2 1 349.563 3.434 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001216507530 1373312231 /nfs/dbraw/zinc/31/22/31/1373312231.db2.gz ZUYOOFWLSUWUAI-IEBWSBKVSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216851019 1373350688 /nfs/dbraw/zinc/35/06/88/1373350688.db2.gz YCMDFSXSLWCNDU-XBQKGDGXSA-N 2 1 343.515 3.082 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216849915 1373350724 /nfs/dbraw/zinc/35/07/24/1373350724.db2.gz BNIJUTGNXSJLAS-MISYRCLQSA-N 2 1 345.531 3.162 20 0 EGADMP O=C(NCC[NH2+]CC1CCC2(CC2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129430237 1373383153 /nfs/dbraw/zinc/38/31/53/1373383153.db2.gz PQTPGKDDHCKXMR-LJQANCHMSA-N 2 1 347.547 3.070 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205291 1388263595 /nfs/dbraw/zinc/26/35/95/1388263595.db2.gz JNTUKCULWWTQTP-XUVXKRRUSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001188205291 1388263599 /nfs/dbraw/zinc/26/35/99/1388263599.db2.gz JNTUKCULWWTQTP-XUVXKRRUSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001188205291 1388263602 /nfs/dbraw/zinc/26/36/02/1388263602.db2.gz JNTUKCULWWTQTP-XUVXKRRUSA-N 2 1 349.563 3.218 20 0 EGADMP Cc1ccc([C@@H]2C[C@H]2c2nnc([C@@H]([NH3+])CCCC[NH+](C)C)o2)cc1 ZINC001217715601 1373493892 /nfs/dbraw/zinc/49/38/92/1373493892.db2.gz YQGZXMHBCDECIP-BBWFWOEESA-N 2 1 328.460 3.381 20 0 EGADMP CCCOc1ccc(-c2nnc([C@@H]([NH3+])CCCC[NH+](C)C)o2)cc1 ZINC001217715250 1373494026 /nfs/dbraw/zinc/49/40/26/1373494026.db2.gz VTKMSAWOPJCBNG-INIZCTEOSA-N 2 1 332.448 3.257 20 0 EGADMP C[C@@H](Oc1ccc([C@H](C)[NH3+])cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001218296796 1373590293 /nfs/dbraw/zinc/59/02/93/1373590293.db2.gz MMVHQOHJIUQGQF-CSODHUTKSA-N 2 1 340.467 3.375 20 0 EGADMP C[C@@H](Oc1ccc([C@H](C)[NH3+])cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001218296796 1373590295 /nfs/dbraw/zinc/59/02/95/1373590295.db2.gz MMVHQOHJIUQGQF-CSODHUTKSA-N 2 1 340.467 3.375 20 0 EGADMP CC[C@]1(c2cccc(O[C@@H]3C[C@@H]4C[NH2+]C[C@@H]34)c2)CCCC[N@@H+](C)C1 ZINC001218331021 1373598488 /nfs/dbraw/zinc/59/84/88/1373598488.db2.gz PIQXGRBFPITBFM-OTNPHJDUSA-N 2 1 328.500 3.437 20 0 EGADMP c1ccc(C[N@@H+]2CCc3ccc(O[C@@H]4CC[C@H]5C[NH2+]C[C@@H]54)nc3C2)cc1 ZINC001218462447 1373619149 /nfs/dbraw/zinc/61/91/49/1373619149.db2.gz XJFWMWGXLCHMKF-IRFCIJBXSA-N 2 1 349.478 3.017 20 0 EGADMP c1ccc(C[N@H+]2CCc3ccc(O[C@@H]4CC[C@H]5C[NH2+]C[C@@H]54)nc3C2)cc1 ZINC001218462447 1373619151 /nfs/dbraw/zinc/61/91/51/1373619151.db2.gz XJFWMWGXLCHMKF-IRFCIJBXSA-N 2 1 349.478 3.017 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCCC3)C[C@H]21)C(C)C ZINC001221876671 1373800836 /nfs/dbraw/zinc/80/08/36/1373800836.db2.gz NTYWHHAXNVDYTH-AQNXPRMDSA-N 2 1 349.563 3.076 20 0 EGADMP c1cc(Oc2ccccc2)c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)s1 ZINC001222094672 1373816573 /nfs/dbraw/zinc/81/65/73/1373816573.db2.gz IPWVOHVTZZIKCQ-UHFFFAOYSA-N 2 1 343.496 3.068 20 0 EGADMP C[N@@H+](CCC(=O)NCC[NH2+]CCC1=CCCCC1)C1CCCCC1 ZINC001131815655 1373819413 /nfs/dbraw/zinc/81/94/13/1373819413.db2.gz NPRZITNFHPMBTE-UHFFFAOYSA-N 2 1 335.536 3.237 20 0 EGADMP C[N@@H+](CCC(=O)NCC[NH2+]C/C=C\c1ccccc1)C1CCCCC1 ZINC001131815796 1373819964 /nfs/dbraw/zinc/81/99/64/1373819964.db2.gz ULABPPGJNULQOF-FLIBITNWSA-N 2 1 343.515 3.060 20 0 EGADMP c1cc(CN2CC[NH2+]CC2)cc(C[N@H+]2CCCC3(CCCC3)C2)c1 ZINC001222400632 1373836879 /nfs/dbraw/zinc/83/68/79/1373836879.db2.gz BSHVLXQQFKIABS-UHFFFAOYSA-N 2 1 327.516 3.248 20 0 EGADMP C[C@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)CCc3cnc[nH]3)CCC2)C1 ZINC001326835197 1388325703 /nfs/dbraw/zinc/32/57/03/1388325703.db2.gz SAHDQWWGNSBOHZ-IRXDYDNUSA-N 2 1 346.519 3.187 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188664267 1388356830 /nfs/dbraw/zinc/35/68/30/1388356830.db2.gz JHWDCDVPUMRRKL-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188664267 1388356838 /nfs/dbraw/zinc/35/68/38/1388356838.db2.gz JHWDCDVPUMRRKL-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188664267 1388356841 /nfs/dbraw/zinc/35/68/41/1388356841.db2.gz JHWDCDVPUMRRKL-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCc2ncc[nH]2)C[N@H+]1CCC1CCCCC1 ZINC001132024970 1375104747 /nfs/dbraw/zinc/10/47/47/1375104747.db2.gz KWEYYDCXNHOVLS-SJLPKXTDSA-N 2 1 346.519 3.282 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CC1CC2(CCC2)C1 ZINC001132105766 1375150843 /nfs/dbraw/zinc/15/08/43/1375150843.db2.gz MMFBQKVCSHOIPL-WMZOPIPTSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CC1CC2(CCC2)C1 ZINC001132105766 1375150844 /nfs/dbraw/zinc/15/08/44/1375150844.db2.gz MMFBQKVCSHOIPL-WMZOPIPTSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CC1CC2(CCC2)C1 ZINC001132105766 1375150848 /nfs/dbraw/zinc/15/08/48/1375150848.db2.gz MMFBQKVCSHOIPL-WMZOPIPTSA-N 2 1 347.547 3.020 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132107493 1375151186 /nfs/dbraw/zinc/15/11/86/1375151186.db2.gz ZMBNXLOKCJBLBX-KBSZCIAZSA-N 2 1 335.536 3.186 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@H+]1CC1CC1 ZINC001132142142 1375168402 /nfs/dbraw/zinc/16/84/02/1375168402.db2.gz YAKGQLNNURHLGC-DOTOQJQBSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[NH+]1CC1CC1 ZINC001132142142 1375168405 /nfs/dbraw/zinc/16/84/05/1375168405.db2.gz YAKGQLNNURHLGC-DOTOQJQBSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[NH+]1CC1CC1 ZINC001132142142 1375168408 /nfs/dbraw/zinc/16/84/08/1375168408.db2.gz YAKGQLNNURHLGC-DOTOQJQBSA-N 2 1 335.536 3.019 20 0 EGADMP CCCC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132203345 1375207287 /nfs/dbraw/zinc/20/72/87/1375207287.db2.gz ORSAMPFBPSXWJE-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001226162134 1375214000 /nfs/dbraw/zinc/21/40/00/1375214000.db2.gz XABYXMLANWRFSF-UWCDRFHNSA-N 2 1 335.536 3.233 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)cc1C ZINC001132269194 1375257850 /nfs/dbraw/zinc/25/78/50/1375257850.db2.gz GPZKDCCQCLWEFY-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCc1cccc(C[N@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)c1 ZINC001132269484 1375258105 /nfs/dbraw/zinc/25/81/05/1375258105.db2.gz KOEGCZANTSDIOC-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309770 1375288664 /nfs/dbraw/zinc/28/86/64/1375288664.db2.gz DDJFLPLXRZQBIX-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309770 1375288670 /nfs/dbraw/zinc/28/86/70/1375288670.db2.gz DDJFLPLXRZQBIX-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309770 1375288680 /nfs/dbraw/zinc/28/86/80/1375288680.db2.gz DDJFLPLXRZQBIX-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[NH+]1CCCCCF ZINC001132311705 1375289350 /nfs/dbraw/zinc/28/93/50/1375289350.db2.gz WYYUCYWBCLMONO-SJORKVTESA-N 2 1 343.531 3.073 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[NH+]1CCCCCF ZINC001132311705 1375289354 /nfs/dbraw/zinc/28/93/54/1375289354.db2.gz WYYUCYWBCLMONO-SJORKVTESA-N 2 1 343.531 3.073 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@H+]1CCCCCF ZINC001132311705 1375289343 /nfs/dbraw/zinc/28/93/43/1375289343.db2.gz WYYUCYWBCLMONO-SJORKVTESA-N 2 1 343.531 3.073 20 0 EGADMP CCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335279 1375314360 /nfs/dbraw/zinc/31/43/60/1375314360.db2.gz MARMWFCQICPNET-SJORKVTESA-N 2 1 334.508 3.166 20 0 EGADMP CCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335279 1375314366 /nfs/dbraw/zinc/31/43/66/1375314366.db2.gz MARMWFCQICPNET-SJORKVTESA-N 2 1 334.508 3.166 20 0 EGADMP CCCC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335277 1375314917 /nfs/dbraw/zinc/31/49/17/1375314917.db2.gz MARMWFCQICPNET-IAGOWNOFSA-N 2 1 334.508 3.166 20 0 EGADMP CCCC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335277 1375314926 /nfs/dbraw/zinc/31/49/26/1375314926.db2.gz MARMWFCQICPNET-IAGOWNOFSA-N 2 1 334.508 3.166 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132339888 1375317847 /nfs/dbraw/zinc/31/78/47/1375317847.db2.gz KZPNEVLAILHFDR-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132340055 1375319679 /nfs/dbraw/zinc/31/96/79/1375319679.db2.gz MFPUJHMFWFZXIH-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132354190 1375325708 /nfs/dbraw/zinc/32/57/08/1375325708.db2.gz JYYATFODYZNADW-ZMGAVLDPSA-N 2 1 346.519 3.297 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132354190 1375325716 /nfs/dbraw/zinc/32/57/16/1375325716.db2.gz JYYATFODYZNADW-ZMGAVLDPSA-N 2 1 346.519 3.297 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC=C(C)C)C1 ZINC001132365744 1375329492 /nfs/dbraw/zinc/32/94/92/1375329492.db2.gz PQWPFBLNGRXADI-RBUKOAKNSA-N 2 1 337.552 3.434 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC=C(C)C)C1 ZINC001132365744 1375329498 /nfs/dbraw/zinc/32/94/98/1375329498.db2.gz PQWPFBLNGRXADI-RBUKOAKNSA-N 2 1 337.552 3.434 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC=C(C)C)C1 ZINC001132365744 1375329504 /nfs/dbraw/zinc/32/95/04/1375329504.db2.gz PQWPFBLNGRXADI-RBUKOAKNSA-N 2 1 337.552 3.434 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132411029 1375359710 /nfs/dbraw/zinc/35/97/10/1375359710.db2.gz RYBPQUUUVPOCMN-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001132411029 1375359719 /nfs/dbraw/zinc/35/97/19/1375359719.db2.gz RYBPQUUUVPOCMN-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001132411029 1375359723 /nfs/dbraw/zinc/35/97/23/1375359723.db2.gz RYBPQUUUVPOCMN-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cccc(C)c2)C1 ZINC001132436265 1375380990 /nfs/dbraw/zinc/38/09/90/1375380990.db2.gz JRPYDWZHMIVVAT-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(C)c2)C1 ZINC001132436265 1375380991 /nfs/dbraw/zinc/38/09/91/1375380991.db2.gz JRPYDWZHMIVVAT-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(C)c2)C1 ZINC001132436265 1375380995 /nfs/dbraw/zinc/38/09/95/1375380995.db2.gz JRPYDWZHMIVVAT-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[N@H+]1CCC1CC1 ZINC001132494659 1375424151 /nfs/dbraw/zinc/42/41/51/1375424151.db2.gz VSLXUCIUOSIOHB-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CCCC1CCC1 ZINC001132518758 1375437197 /nfs/dbraw/zinc/43/71/97/1375437197.db2.gz NTMDIMLAZMCVLZ-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](C/C=C\c2ccccc2)C1 ZINC001132521853 1375438039 /nfs/dbraw/zinc/43/80/39/1375438039.db2.gz IBABVRWLHFKOAV-QQXWZLKESA-N 2 1 343.515 3.009 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](C/C=C\c2ccccc2)C1 ZINC001132521853 1375438041 /nfs/dbraw/zinc/43/80/41/1375438041.db2.gz IBABVRWLHFKOAV-QQXWZLKESA-N 2 1 343.515 3.009 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](C/C=C\c2ccccc2)C1 ZINC001132521853 1375438043 /nfs/dbraw/zinc/43/80/43/1375438043.db2.gz IBABVRWLHFKOAV-QQXWZLKESA-N 2 1 343.515 3.009 20 0 EGADMP Cc1cccc(C)c1C[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132521300 1375438697 /nfs/dbraw/zinc/43/86/97/1375438697.db2.gz BGMWXZRNYVWZIP-RBUKOAKNSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cccc(C)c1C[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132521300 1375438700 /nfs/dbraw/zinc/43/87/00/1375438700.db2.gz BGMWXZRNYVWZIP-RBUKOAKNSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cccc(C)c1C[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132521300 1375438703 /nfs/dbraw/zinc/43/87/03/1375438703.db2.gz BGMWXZRNYVWZIP-RBUKOAKNSA-N 2 1 345.531 3.113 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001227791333 1375475081 /nfs/dbraw/zinc/47/50/81/1375475081.db2.gz CDRUJCGQOHSYFC-AEFFLSMTSA-N 2 1 346.519 3.023 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NC1CC[NH+](CC2CCCCCC2)CC1 ZINC001227876993 1375485781 /nfs/dbraw/zinc/48/57/81/1375485781.db2.gz MYJYPICRPUGABS-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001227877423 1375485986 /nfs/dbraw/zinc/48/59/86/1375485986.db2.gz ROQJSSABHQAQMC-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC001132739561 1375539353 /nfs/dbraw/zinc/53/93/53/1375539353.db2.gz RVVXSKNLOCZZAG-HKUYNNGSSA-N 2 1 349.494 3.105 20 0 EGADMP CCCCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132887579 1375625726 /nfs/dbraw/zinc/62/57/26/1375625726.db2.gz GHQVZGQCZKWHNL-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001229127228 1375770568 /nfs/dbraw/zinc/77/05/68/1375770568.db2.gz SZUWZKQJWASHQO-RTBURBONSA-N 2 1 346.519 3.179 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc(F)c1 ZINC001229496845 1375846578 /nfs/dbraw/zinc/84/65/78/1375846578.db2.gz WIHRLPWEIPZNDD-KFKAGJAMSA-N 2 1 349.494 3.246 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001133347582 1375935601 /nfs/dbraw/zinc/93/56/01/1375935601.db2.gz XUBCGPRIOGEUKX-TYFAACHXSA-N 2 1 337.552 3.147 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001230274729 1375980978 /nfs/dbraw/zinc/98/09/78/1375980978.db2.gz IDXZGVVCBHBJSV-KFKAGJAMSA-N 2 1 349.494 3.244 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230516777 1376048449 /nfs/dbraw/zinc/04/84/49/1376048449.db2.gz UJGKJLNRNRHXLM-LIRRHRJNSA-N 2 1 336.439 3.435 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230516777 1376048455 /nfs/dbraw/zinc/04/84/55/1376048455.db2.gz UJGKJLNRNRHXLM-LIRRHRJNSA-N 2 1 336.439 3.435 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230516777 1376048459 /nfs/dbraw/zinc/04/84/59/1376048459.db2.gz UJGKJLNRNRHXLM-LIRRHRJNSA-N 2 1 336.439 3.435 20 0 EGADMP Nc1[nH]c2ccc(O[C@@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)cc2[nH+]1 ZINC001230518913 1376051480 /nfs/dbraw/zinc/05/14/80/1376051480.db2.gz WCMIESUEIHZOLP-OAHLLOKOSA-N 2 1 342.830 3.452 20 0 EGADMP CCCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001230537426 1376060579 /nfs/dbraw/zinc/06/05/79/1376060579.db2.gz GKZAMOVHULPOEG-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001230537426 1376060587 /nfs/dbraw/zinc/06/05/87/1376060587.db2.gz GKZAMOVHULPOEG-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001230537426 1376060594 /nfs/dbraw/zinc/06/05/94/1376060594.db2.gz GKZAMOVHULPOEG-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC1CC(C[N@H+]2CCC[C@H](NC(=O)CCC[NH+]3CCCCC3)CC2)C1 ZINC001327171989 1388420455 /nfs/dbraw/zinc/42/04/55/1388420455.db2.gz IQJKTQMKFJHPCD-MHJFOBGBSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc(C)n1 ZINC001231999660 1376378071 /nfs/dbraw/zinc/37/80/71/1376378071.db2.gz XMBQNUODQALZEX-RTWAWAEBSA-N 2 1 336.483 3.047 20 0 EGADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc(C)n1 ZINC001231999660 1376378080 /nfs/dbraw/zinc/37/80/80/1376378080.db2.gz XMBQNUODQALZEX-RTWAWAEBSA-N 2 1 336.483 3.047 20 0 EGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc(C)n1 ZINC001231999660 1376378089 /nfs/dbraw/zinc/37/80/89/1376378089.db2.gz XMBQNUODQALZEX-RTWAWAEBSA-N 2 1 336.483 3.047 20 0 EGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc(C)n1 ZINC001231999660 1376378093 /nfs/dbraw/zinc/37/80/93/1376378093.db2.gz XMBQNUODQALZEX-RTWAWAEBSA-N 2 1 336.483 3.047 20 0 EGADMP c1csc(C[N@H+]2C[C@H]3CN(Cc4cc5c[nH+]ccc5[nH]4)C[C@H]3C2)c1 ZINC001232013091 1376381728 /nfs/dbraw/zinc/38/17/28/1376381728.db2.gz XTARYKCCIPMIMV-IYBDPMFKSA-N 2 1 338.480 3.188 20 0 EGADMP Cc1scnc1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001232201419 1376416482 /nfs/dbraw/zinc/41/64/82/1376416482.db2.gz NQGGYAQKTISBQH-UHFFFAOYSA-N 2 1 342.512 3.335 20 0 EGADMP Cc1scnc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001232201419 1376416487 /nfs/dbraw/zinc/41/64/87/1376416487.db2.gz NQGGYAQKTISBQH-UHFFFAOYSA-N 2 1 342.512 3.335 20 0 EGADMP C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232366650 1376451222 /nfs/dbraw/zinc/45/12/22/1376451222.db2.gz OCWIEWNHZIRCDY-UHFFFAOYSA-N 2 1 344.890 3.119 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(-n4cccn4)cc3Cl)C2)CC1 ZINC001232595674 1376486252 /nfs/dbraw/zinc/48/62/52/1376486252.db2.gz HDWFUVPLUJSTFB-UHFFFAOYSA-N 2 1 344.890 3.443 20 0 EGADMP CNc1ccccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001232669070 1376497100 /nfs/dbraw/zinc/49/71/00/1376497100.db2.gz SWFUAMUKUNOXOG-CALCHBBNSA-N 2 1 327.497 3.354 20 0 EGADMP CNc1ccccc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001232669070 1376497103 /nfs/dbraw/zinc/49/71/03/1376497103.db2.gz SWFUAMUKUNOXOG-CALCHBBNSA-N 2 1 327.497 3.354 20 0 EGADMP CNc1ccccc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001232669070 1376497106 /nfs/dbraw/zinc/49/71/06/1376497106.db2.gz SWFUAMUKUNOXOG-CALCHBBNSA-N 2 1 327.497 3.354 20 0 EGADMP CNc1ccccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001232669070 1376497107 /nfs/dbraw/zinc/49/71/07/1376497107.db2.gz SWFUAMUKUNOXOG-CALCHBBNSA-N 2 1 327.497 3.354 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189109820 1388459805 /nfs/dbraw/zinc/45/98/05/1388459805.db2.gz FUMYKBFTGJEEKT-MXTREEOPSA-N 2 1 349.563 3.386 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001134773474 1376713361 /nfs/dbraw/zinc/71/33/61/1376713361.db2.gz PLMPMQQAYSJBLV-IAGOWNOFSA-N 2 1 337.552 3.480 20 0 EGADMP COc1ccccc1N(C)c1ccc(C[N@@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235026023 1376830378 /nfs/dbraw/zinc/83/03/78/1376830378.db2.gz KFBPHFMFWJIYLE-UHFFFAOYSA-N 2 1 337.467 3.258 20 0 EGADMP COc1ccccc1N(C)c1ccc(C[N@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235026023 1376830382 /nfs/dbraw/zinc/83/03/82/1376830382.db2.gz KFBPHFMFWJIYLE-UHFFFAOYSA-N 2 1 337.467 3.258 20 0 EGADMP CN(C[C@H]1CC[N@@H+]1CCCC(C)(C)C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001235338111 1376868854 /nfs/dbraw/zinc/86/88/54/1376868854.db2.gz UNIMNYNKSWCGEA-IAGOWNOFSA-N 2 1 346.519 3.120 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCCC(C)(C)C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001235338111 1376868856 /nfs/dbraw/zinc/86/88/56/1376868856.db2.gz UNIMNYNKSWCGEA-IAGOWNOFSA-N 2 1 346.519 3.120 20 0 EGADMP Brc1ccoc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427723 1376869696 /nfs/dbraw/zinc/86/96/96/1376869696.db2.gz NAUSVEUGKKBDMH-CHWSQXEVSA-N 2 1 327.266 3.254 20 0 EGADMP [O-]c1cc(F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235428358 1376870141 /nfs/dbraw/zinc/87/01/41/1376870141.db2.gz PORHNILZPFTYEW-QWHCGFSZSA-N 2 1 326.843 3.396 20 0 EGADMP [O-]c1cc(F)c(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235428358 1376870145 /nfs/dbraw/zinc/87/01/45/1376870145.db2.gz PORHNILZPFTYEW-QWHCGFSZSA-N 2 1 326.843 3.396 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001327258629 1388469407 /nfs/dbraw/zinc/46/94/07/1388469407.db2.gz SSBFYBXHYPRVQB-AZUAARDMSA-N 2 1 347.547 3.423 20 0 EGADMP Fc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235942041 1376920722 /nfs/dbraw/zinc/92/07/22/1376920722.db2.gz XUFKPUBUGOXHAX-IEBWSBKVSA-N 2 1 340.442 3.446 20 0 EGADMP Fc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235942041 1376920730 /nfs/dbraw/zinc/92/07/30/1376920730.db2.gz XUFKPUBUGOXHAX-IEBWSBKVSA-N 2 1 340.442 3.446 20 0 EGADMP COc1cc(C)c(Br)cc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236227379 1376943669 /nfs/dbraw/zinc/94/36/69/1376943669.db2.gz DNVDAOQUFHDWFZ-UHFFFAOYSA-N 2 1 341.293 3.340 20 0 EGADMP COc1cc(C)c(Br)cc1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236227379 1376943678 /nfs/dbraw/zinc/94/36/78/1376943678.db2.gz DNVDAOQUFHDWFZ-UHFFFAOYSA-N 2 1 341.293 3.340 20 0 EGADMP Clc1ccccc1C[N@H+](CC[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001236449761 1376953171 /nfs/dbraw/zinc/95/31/71/1376953171.db2.gz AJKPDWMZCIUEFS-INIZCTEOSA-N 3 1 335.923 3.284 20 0 EGADMP Clc1ccccc1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001236449761 1376953186 /nfs/dbraw/zinc/95/31/86/1376953186.db2.gz AJKPDWMZCIUEFS-INIZCTEOSA-N 3 1 335.923 3.284 20 0 EGADMP CCC[N@H+](Cc1c[nH]c2cc(C(=O)OCC)ccc12)C[C@H]1CC[NH2+]C1 ZINC001236843275 1376965655 /nfs/dbraw/zinc/96/56/55/1376965655.db2.gz GQBIHANRWVFBLN-HNNXBMFYSA-N 2 1 343.471 3.166 20 0 EGADMP CCC[N@@H+](Cc1cccnc1OCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001236844358 1376965674 /nfs/dbraw/zinc/96/56/74/1376965674.db2.gz UQEKTHOYMPFBJG-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP CCC[N@H+](Cc1cccnc1OCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001236844358 1376965695 /nfs/dbraw/zinc/96/56/95/1376965695.db2.gz UQEKTHOYMPFBJG-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001135305258 1377028096 /nfs/dbraw/zinc/02/80/96/1377028096.db2.gz OJEIYQMGDOVFJT-UHFFFAOYSA-N 2 1 334.508 3.038 20 0 EGADMP CC(C)(O)c1cc(F)cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001245141690 1377043767 /nfs/dbraw/zinc/04/37/67/1377043767.db2.gz UOBVSWAJKNSUCQ-UHFFFAOYSA-N 2 1 325.387 3.055 20 0 EGADMP COc1ccc([C@@H]2C[C@H]([N@H+]3CCC[C@](F)(C[NH3+])CC3)CCO2)cc1 ZINC001246546385 1377052344 /nfs/dbraw/zinc/05/23/44/1377052344.db2.gz GHMWBKOLBCGKOK-NZSAHSFTSA-N 2 1 336.451 3.068 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN([C@H]3CC[NH2+][C@@H](C)C3)C[C@@H]21 ZINC001246764437 1377054324 /nfs/dbraw/zinc/05/43/24/1377054324.db2.gz GPZDFOJJDCTZHO-NHUSPQTBSA-N 2 1 327.516 3.237 20 0 EGADMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+]([C@H]3CC[NH2+][C@@H](C)C3)C[C@@H]21 ZINC001246764437 1377054327 /nfs/dbraw/zinc/05/43/27/1377054327.db2.gz GPZDFOJJDCTZHO-NHUSPQTBSA-N 3 1 327.516 3.237 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+]([C@H]3CC[NH2+][C@@H](C)C3)C[C@@H]21 ZINC001246764437 1377054331 /nfs/dbraw/zinc/05/43/31/1377054331.db2.gz GPZDFOJJDCTZHO-NHUSPQTBSA-N 3 1 327.516 3.237 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+]([C@H]3CC[NH2+][C@@H](C)C3)C[C@@H]21 ZINC001246764437 1377054334 /nfs/dbraw/zinc/05/43/34/1377054334.db2.gz GPZDFOJJDCTZHO-NHUSPQTBSA-N 3 1 327.516 3.237 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+]([C@H]3CC[NH2+][C@@H](C)C3)C[C@@H]21 ZINC001246764437 1377054340 /nfs/dbraw/zinc/05/43/40/1377054340.db2.gz GPZDFOJJDCTZHO-NHUSPQTBSA-N 3 1 327.516 3.237 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001246937393 1377055746 /nfs/dbraw/zinc/05/57/46/1377055746.db2.gz MBFZQDFDEUVBAY-AOIWGVFYSA-N 2 1 336.520 3.353 20 0 EGADMP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)[C@@H]2CC3CCN(CC3)C2)cc1 ZINC001246938963 1377055896 /nfs/dbraw/zinc/05/58/96/1377055896.db2.gz QMTTZGDTVFLISB-OAQYLSRUSA-N 2 1 345.506 3.112 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)CCC[NH+](C)[C@H]1CCCc2ccccc21 ZINC001327277352 1388478127 /nfs/dbraw/zinc/47/81/27/1388478127.db2.gz PFWAVIXDOGIESG-FQEVSTJZSA-N 2 1 345.531 3.186 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)CCC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001327277352 1388478130 /nfs/dbraw/zinc/47/81/30/1388478130.db2.gz PFWAVIXDOGIESG-FQEVSTJZSA-N 2 1 345.531 3.186 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)CCC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001327277352 1388478133 /nfs/dbraw/zinc/47/81/33/1388478133.db2.gz PFWAVIXDOGIESG-FQEVSTJZSA-N 2 1 345.531 3.186 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cc2ccccc2o1 ZINC001135437030 1377097067 /nfs/dbraw/zinc/09/70/67/1377097067.db2.gz KHYDFMNJKQQEMR-UHFFFAOYSA-N 2 1 345.487 3.151 20 0 EGADMP CC(C)CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135476813 1377110982 /nfs/dbraw/zinc/11/09/82/1377110982.db2.gz MCGXTLBCCHOCGZ-IRXDYDNUSA-N 2 1 325.541 3.027 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135478105 1377111439 /nfs/dbraw/zinc/11/14/39/1377111439.db2.gz ZANTVIUHVPVNQV-IRXDYDNUSA-N 2 1 337.552 3.338 20 0 EGADMP CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135477480 1377111469 /nfs/dbraw/zinc/11/14/69/1377111469.db2.gz VNGFZBHRSHFUCN-VEUZHWNKSA-N 2 1 325.541 3.194 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)C[C@H](C)O1 ZINC001257100050 1377112710 /nfs/dbraw/zinc/11/27/10/1377112710.db2.gz VYYVWKCCQZDHHS-UPHUGPLXSA-N 2 1 328.500 3.465 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)C[C@H](C)O1 ZINC001257100050 1377112717 /nfs/dbraw/zinc/11/27/17/1377112717.db2.gz VYYVWKCCQZDHHS-UPHUGPLXSA-N 2 1 328.500 3.465 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135481763 1377114004 /nfs/dbraw/zinc/11/40/04/1377114004.db2.gz WXMPTOXPNHJHCL-HZPDHXFCSA-N 2 1 339.568 3.273 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001266182443 1377219020 /nfs/dbraw/zinc/21/90/20/1377219020.db2.gz IECMFKINYRGSSW-DNVCBOLYSA-N 2 1 349.494 3.029 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001135861382 1377238675 /nfs/dbraw/zinc/23/86/75/1377238675.db2.gz PZXZREJPKYRZNU-DLBZAZTESA-N 2 1 345.531 3.279 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001135926012 1377265213 /nfs/dbraw/zinc/26/52/13/1377265213.db2.gz AQYMSQURLJTLFX-VQTJNVASSA-N 2 1 345.531 3.090 20 0 EGADMP Cc1cc(C)cc(C[NH+](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001266332061 1377277803 /nfs/dbraw/zinc/27/78/03/1377277803.db2.gz ATVMUWZHDJLXJR-FQEVSTJZSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1cc(C)cc(C[N@@H+](C)CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)c1 ZINC001266332061 1377277806 /nfs/dbraw/zinc/27/78/06/1377277806.db2.gz ATVMUWZHDJLXJR-FQEVSTJZSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1cc(C)cc(C[N@H+](C)CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)c1 ZINC001266332061 1377277808 /nfs/dbraw/zinc/27/78/08/1377277808.db2.gz ATVMUWZHDJLXJR-FQEVSTJZSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001135977791 1377285112 /nfs/dbraw/zinc/28/51/12/1377285112.db2.gz ZFUQWTQHKILWNO-HZPDHXFCSA-N 2 1 345.487 3.148 20 0 EGADMP CCCc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCC)cc1 ZINC001135981000 1377285774 /nfs/dbraw/zinc/28/57/74/1377285774.db2.gz VYUXXEIFJDJTTD-ROUUACIJSA-N 2 1 347.547 3.354 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1ccc(C)cc1 ZINC001135980932 1377286207 /nfs/dbraw/zinc/28/62/07/1377286207.db2.gz VBMYUCSHLRKLTB-RBUKOAKNSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+]2C2CCCC2)C1 ZINC001136759338 1377420755 /nfs/dbraw/zinc/42/07/55/1377420755.db2.gz CMAYZWXJIHPNCZ-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001136759338 1377420758 /nfs/dbraw/zinc/42/07/58/1377420758.db2.gz CMAYZWXJIHPNCZ-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC001136759338 1377420759 /nfs/dbraw/zinc/42/07/59/1377420759.db2.gz CMAYZWXJIHPNCZ-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cccc2ncc(C[N@@H+](C3CCCC3)C3CCN(C)CC3)n21 ZINC001137200281 1377496115 /nfs/dbraw/zinc/49/61/15/1377496115.db2.gz ZMXNMPLNLJVDNM-UHFFFAOYSA-N 2 1 326.488 3.482 20 0 EGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC001137629255 1377575458 /nfs/dbraw/zinc/57/54/58/1377575458.db2.gz CPBFLMFCQZEDFZ-IBGZPJMESA-N 2 1 339.483 3.310 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC001137629255 1377575462 /nfs/dbraw/zinc/57/54/62/1377575462.db2.gz CPBFLMFCQZEDFZ-IBGZPJMESA-N 2 1 339.483 3.310 20 0 EGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)c2ccccc12 ZINC001138015750 1377665977 /nfs/dbraw/zinc/66/59/77/1377665977.db2.gz QCURIQGZJBGKHG-UHFFFAOYSA-N 2 1 342.483 3.465 20 0 EGADMP CN1CCC([N@@H+](C)Cc2c[nH]c3ccc(Br)cc23)CC1 ZINC001138315478 1377700780 /nfs/dbraw/zinc/70/07/80/1377700780.db2.gz IDPGPCOZQGRUPX-UHFFFAOYSA-N 2 1 336.277 3.456 20 0 EGADMP C[N@H+](Cc1c[nH]c2ccc(Br)cc12)C1CC[NH+](C)CC1 ZINC001138315478 1377700783 /nfs/dbraw/zinc/70/07/83/1377700783.db2.gz IDPGPCOZQGRUPX-UHFFFAOYSA-N 2 1 336.277 3.456 20 0 EGADMP C[N@@H+](Cc1c[nH]c2ccc(Br)cc12)C1CC[NH+](C)CC1 ZINC001138315478 1377700787 /nfs/dbraw/zinc/70/07/87/1377700787.db2.gz IDPGPCOZQGRUPX-UHFFFAOYSA-N 2 1 336.277 3.456 20 0 EGADMP Cc1nccn1-c1ccc(C[N@H+]2CC[C@@H](COCC3CC3)C2)cc1 ZINC001138548498 1377739741 /nfs/dbraw/zinc/73/97/41/1377739741.db2.gz FTUHSPITHASDIK-LJQANCHMSA-N 2 1 325.456 3.429 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](COCC3CC3)C2)cc1 ZINC001138548498 1377739742 /nfs/dbraw/zinc/73/97/42/1377739742.db2.gz FTUHSPITHASDIK-LJQANCHMSA-N 2 1 325.456 3.429 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](COCC3CC3)C2)cc1 ZINC001138548498 1377739743 /nfs/dbraw/zinc/73/97/43/1377739743.db2.gz FTUHSPITHASDIK-LJQANCHMSA-N 2 1 325.456 3.429 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)CC1 ZINC001138601347 1377750872 /nfs/dbraw/zinc/75/08/72/1377750872.db2.gz FJPQRXGLOMSPHK-UHFFFAOYSA-N 2 1 326.488 3.425 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)CC1 ZINC001138885520 1377799304 /nfs/dbraw/zinc/79/93/04/1377799304.db2.gz RHEDFDKQMFZHHS-UHFFFAOYSA-N 2 1 328.435 3.134 20 0 EGADMP CCCOc1ccccc1C[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC001139002154 1377816255 /nfs/dbraw/zinc/81/62/55/1377816255.db2.gz VFEIRXGBPBTOHN-UHFFFAOYSA-N 2 1 347.547 3.325 20 0 EGADMP Cn1ccc2c1cccc2CN1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001139159661 1377841809 /nfs/dbraw/zinc/84/18/09/1377841809.db2.gz NAAKPFRKJWJNFN-UHFFFAOYSA-N 2 1 341.499 3.254 20 0 EGADMP Cn1ccc2c1cccc2C[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001139159661 1377841810 /nfs/dbraw/zinc/84/18/10/1377841810.db2.gz NAAKPFRKJWJNFN-UHFFFAOYSA-N 2 1 341.499 3.254 20 0 EGADMP Cn1ccc2c1cccc2C[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001139159661 1377841812 /nfs/dbraw/zinc/84/18/12/1377841812.db2.gz NAAKPFRKJWJNFN-UHFFFAOYSA-N 2 1 341.499 3.254 20 0 EGADMP C[N@H+](Cc1ccc2nonc2c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001139225063 1377856127 /nfs/dbraw/zinc/85/61/27/1377856127.db2.gz PDIDFVDPQNOORB-UHFFFAOYSA-N 2 1 328.460 3.452 20 0 EGADMP C[N@@H+](Cc1ccc2nonc2c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001139225063 1377856129 /nfs/dbraw/zinc/85/61/29/1377856129.db2.gz PDIDFVDPQNOORB-UHFFFAOYSA-N 2 1 328.460 3.452 20 0 EGADMP CCOC(=O)c1[nH]c2ccccc2c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001139463480 1377886717 /nfs/dbraw/zinc/88/67/17/1377886717.db2.gz CFGNBACYXSNTQX-UHFFFAOYSA-N 2 1 343.471 3.118 20 0 EGADMP O=c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c[nH]1 ZINC001139469417 1377889642 /nfs/dbraw/zinc/88/96/42/1377889642.db2.gz UJFAOBJVFXGPBQ-NRFANRHFSA-N 2 1 337.467 3.275 20 0 EGADMP O=c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c[nH]1 ZINC001139469417 1377889649 /nfs/dbraw/zinc/88/96/49/1377889649.db2.gz UJFAOBJVFXGPBQ-NRFANRHFSA-N 2 1 337.467 3.275 20 0 EGADMP O=c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c[nH]1 ZINC001139469417 1377889652 /nfs/dbraw/zinc/88/96/52/1377889652.db2.gz UJFAOBJVFXGPBQ-NRFANRHFSA-N 2 1 337.467 3.275 20 0 EGADMP O=c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c[nH]1 ZINC001139469417 1377889662 /nfs/dbraw/zinc/88/96/62/1377889662.db2.gz UJFAOBJVFXGPBQ-NRFANRHFSA-N 2 1 337.467 3.275 20 0 EGADMP C[N@H+]1CC[C@]2(CCN(Cc3c[nH]c4ncc(C(F)(F)F)cc34)C2)C1 ZINC001139540094 1377900526 /nfs/dbraw/zinc/90/05/26/1377900526.db2.gz CTQXQDOHUQNXJX-INIZCTEOSA-N 2 1 338.377 3.109 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3c[nH]c4ncc(C(F)(F)F)cc34)C2)C1 ZINC001139540094 1377900529 /nfs/dbraw/zinc/90/05/29/1377900529.db2.gz CTQXQDOHUQNXJX-INIZCTEOSA-N 2 1 338.377 3.109 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c[nH]c4ncc(C(F)(F)F)cc34)C2)C1 ZINC001139540094 1377900530 /nfs/dbraw/zinc/90/05/30/1377900530.db2.gz CTQXQDOHUQNXJX-INIZCTEOSA-N 2 1 338.377 3.109 20 0 EGADMP Cc1cc(O)cc(C)c1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001139710629 1377938963 /nfs/dbraw/zinc/93/89/63/1377938963.db2.gz UVHCVRRPEGZMIB-NRFANRHFSA-N 2 1 346.515 3.332 20 0 EGADMP Cc1cc(O)cc(C)c1C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001139710629 1377938965 /nfs/dbraw/zinc/93/89/65/1377938965.db2.gz UVHCVRRPEGZMIB-NRFANRHFSA-N 2 1 346.515 3.332 20 0 EGADMP Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001139710629 1377938966 /nfs/dbraw/zinc/93/89/66/1377938966.db2.gz UVHCVRRPEGZMIB-NRFANRHFSA-N 2 1 346.515 3.332 20 0 EGADMP Cc1cc(O)cc(C)c1C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001139710629 1377938970 /nfs/dbraw/zinc/93/89/70/1377938970.db2.gz UVHCVRRPEGZMIB-NRFANRHFSA-N 2 1 346.515 3.332 20 0 EGADMP Fc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)ccn1 ZINC001139832951 1377959322 /nfs/dbraw/zinc/95/93/22/1377959322.db2.gz VNTXGLXAVNKMTL-UHFFFAOYSA-N 2 1 329.419 3.302 20 0 EGADMP COC(=O)Cc1ccccc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001140653442 1378106470 /nfs/dbraw/zinc/10/64/70/1378106470.db2.gz LCCHAVHIQRISKW-HXUWFJFHSA-N 2 1 344.499 3.243 20 0 EGADMP CCCc1noc(C2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)n1 ZINC001140805113 1378143063 /nfs/dbraw/zinc/14/30/63/1378143063.db2.gz SHMALPWYUDXNFR-UHFFFAOYSA-N 2 1 325.416 3.278 20 0 EGADMP COc1cccnc1O[C@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805880 1378143340 /nfs/dbraw/zinc/14/33/40/1378143340.db2.gz PLCJXKDCRNEKJJ-HNNXBMFYSA-N 2 1 338.411 3.010 20 0 EGADMP COc1cccnc1O[C@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805880 1378143344 /nfs/dbraw/zinc/14/33/44/1378143344.db2.gz PLCJXKDCRNEKJJ-HNNXBMFYSA-N 2 1 338.411 3.010 20 0 EGADMP NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140804743 1378144760 /nfs/dbraw/zinc/14/47/60/1378144760.db2.gz CNFCDLACXLIUJI-PMACEKPBSA-N 2 1 348.450 3.187 20 0 EGADMP NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140804743 1378144763 /nfs/dbraw/zinc/14/47/63/1378144763.db2.gz CNFCDLACXLIUJI-PMACEKPBSA-N 2 1 348.450 3.187 20 0 EGADMP COc1ccc(O[C@@H]2CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)nc1 ZINC001140806663 1378147335 /nfs/dbraw/zinc/14/73/35/1378147335.db2.gz NILTVQATPDRDPJ-MRXNPFEDSA-N 2 1 338.411 3.010 20 0 EGADMP COc1ccc(O[C@@H]2CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)nc1 ZINC001140806663 1378147339 /nfs/dbraw/zinc/14/73/39/1378147339.db2.gz NILTVQATPDRDPJ-MRXNPFEDSA-N 2 1 338.411 3.010 20 0 EGADMP Cc1cccc(Cl)c1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001275634592 1378149199 /nfs/dbraw/zinc/14/91/99/1378149199.db2.gz RPCADFGHOFFEGE-UHFFFAOYSA-N 2 1 344.890 3.470 20 0 EGADMP Cc1nccnc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140939472 1378186033 /nfs/dbraw/zinc/18/60/33/1378186033.db2.gz MWAYPKSZBFBIQU-VQTJNVASSA-N 2 1 336.483 3.129 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](F)C(F)(F)CC2)CC1 ZINC001140968091 1378196243 /nfs/dbraw/zinc/19/62/43/1378196243.db2.gz GOTMMCJDXAAEKJ-QGZVFWFLSA-N 2 1 341.421 3.008 20 0 EGADMP COc1ccc(C[N@@H+](C)Cc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001140969981 1378196567 /nfs/dbraw/zinc/19/65/67/1378196567.db2.gz BECZLPLGPDQZCH-UHFFFAOYSA-N 2 1 339.483 3.079 20 0 EGADMP Cc1c(F)c(F)c(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(F)c1F ZINC001277538046 1378233956 /nfs/dbraw/zinc/23/39/56/1378233956.db2.gz FAVAPGSUEZKUEF-TXEJJXNPSA-N 2 1 330.369 3.325 20 0 EGADMP Cc1c(F)c(F)c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(F)c1F ZINC001277538046 1378233961 /nfs/dbraw/zinc/23/39/61/1378233961.db2.gz FAVAPGSUEZKUEF-TXEJJXNPSA-N 2 1 330.369 3.325 20 0 EGADMP Cc1c(F)c(F)c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(F)c1F ZINC001277538046 1378233967 /nfs/dbraw/zinc/23/39/67/1378233967.db2.gz FAVAPGSUEZKUEF-TXEJJXNPSA-N 2 1 330.369 3.325 20 0 EGADMP Cc1c(F)c(F)c(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(F)c1F ZINC001277538046 1378233972 /nfs/dbraw/zinc/23/39/72/1378233972.db2.gz FAVAPGSUEZKUEF-TXEJJXNPSA-N 2 1 330.369 3.325 20 0 EGADMP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CC[N@H+]2CCCC1CCCC1 ZINC001278020827 1378254781 /nfs/dbraw/zinc/25/47/81/1378254781.db2.gz FFBRTURFUCHLJQ-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)CC1)CC(C)(C)C ZINC001280761372 1378369956 /nfs/dbraw/zinc/36/99/56/1378369956.db2.gz XCVHAMSJFHSEIP-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)CC(C)(C)C ZINC001280761372 1378369960 /nfs/dbraw/zinc/36/99/60/1378369960.db2.gz XCVHAMSJFHSEIP-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)CC(C)(C)C ZINC001280761372 1378369963 /nfs/dbraw/zinc/36/99/63/1378369963.db2.gz XCVHAMSJFHSEIP-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP Cn1cc2c(cccc2C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001142456457 1378444134 /nfs/dbraw/zinc/44/41/34/1378444134.db2.gz LRZZAEKENARWMP-GOSISDBHSA-N 2 1 326.488 3.414 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001142623355 1378465742 /nfs/dbraw/zinc/46/57/42/1378465742.db2.gz ZKNZRGXNKWUWBG-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP CCOc1c(F)cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cc1Cl ZINC001143744938 1378640686 /nfs/dbraw/zinc/64/06/86/1378640686.db2.gz DLNBNTORJPOEQY-UHFFFAOYSA-N 2 1 326.843 3.405 20 0 EGADMP COc1ccc(Cl)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1F ZINC001143897866 1378657797 /nfs/dbraw/zinc/65/77/97/1378657797.db2.gz JKERTHWFZVXZEY-UHFFFAOYSA-N 2 1 326.843 3.405 20 0 EGADMP COc1ccc(C[N@H+](C)C2CCN(C)CC2)c(OC(F)(F)F)c1 ZINC001144047055 1378674863 /nfs/dbraw/zinc/67/48/63/1378674863.db2.gz DWHBADYYFGZABM-UHFFFAOYSA-N 2 1 332.366 3.120 20 0 EGADMP COc1ccc(C[N@@H+](C)C2CCN(C)CC2)c(OC(F)(F)F)c1 ZINC001144047055 1378674864 /nfs/dbraw/zinc/67/48/64/1378674864.db2.gz DWHBADYYFGZABM-UHFFFAOYSA-N 2 1 332.366 3.120 20 0 EGADMP CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001144205400 1378699102 /nfs/dbraw/zinc/69/91/02/1378699102.db2.gz SQOMSNDCQQTTOZ-GOSISDBHSA-N 2 1 335.536 3.116 20 0 EGADMP CCc1ccccc1C[N@@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001283324779 1378809176 /nfs/dbraw/zinc/80/91/76/1378809176.db2.gz DZOGYDCQPYSYQJ-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP CC[C@H](C(=O)N1CCC([N@@H+](C)CCCC(C)(C)C)CC1)[NH+](C)C ZINC001283341169 1378825165 /nfs/dbraw/zinc/82/51/65/1378825165.db2.gz VLVOPGNLSCIBQM-QGZVFWFLSA-N 2 1 325.541 3.076 20 0 EGADMP Cc1ccc(CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001146590803 1378871730 /nfs/dbraw/zinc/87/17/30/1378871730.db2.gz BBOGUEFFQCSVLN-MOPGFXCFSA-N 2 1 347.547 3.141 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001146593200 1378873453 /nfs/dbraw/zinc/87/34/53/1378873453.db2.gz OMUPKKYFQRKQPI-CABCVRRESA-N 2 1 339.911 3.053 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC001146595074 1378874912 /nfs/dbraw/zinc/87/49/12/1378874912.db2.gz WTNARBJGXGGBNJ-HUUCEWRRSA-N 2 1 339.911 3.053 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001146602359 1378875706 /nfs/dbraw/zinc/87/57/06/1378875706.db2.gz SITYRBUWBOMEFF-IRXDYDNUSA-N 2 1 337.552 3.170 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC1CCC(C)CC1 ZINC001147359184 1379008676 /nfs/dbraw/zinc/00/86/76/1379008676.db2.gz NGVSXOBUIJXPMX-CTWPCTMYSA-N 2 1 337.552 3.173 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccccc1F ZINC001147359180 1379008686 /nfs/dbraw/zinc/00/86/86/1379008686.db2.gz NGDDQJYJXDGUDY-LPHOPBHVSA-N 2 1 349.494 3.247 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)CC(C)C)C2 ZINC001147658674 1379056889 /nfs/dbraw/zinc/05/68/89/1379056889.db2.gz WYBALOBCZJEGLU-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@H](C)CC(C)C)C2 ZINC001147658674 1379056897 /nfs/dbraw/zinc/05/68/97/1379056897.db2.gz WYBALOBCZJEGLU-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@H](C)CC(C)C)C2 ZINC001147658674 1379056902 /nfs/dbraw/zinc/05/69/02/1379056902.db2.gz WYBALOBCZJEGLU-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147741995 1379070126 /nfs/dbraw/zinc/07/01/26/1379070126.db2.gz CRDUWJOFKXZLAY-VOFKWLDRSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001147741995 1379070133 /nfs/dbraw/zinc/07/01/33/1379070133.db2.gz CRDUWJOFKXZLAY-VOFKWLDRSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001147741995 1379070136 /nfs/dbraw/zinc/07/01/36/1379070136.db2.gz CRDUWJOFKXZLAY-VOFKWLDRSA-N 2 1 347.547 3.142 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001147852262 1379090020 /nfs/dbraw/zinc/09/00/20/1379090020.db2.gz ZZYDDRCPJNRNBT-UHFFFAOYSA-N 2 1 340.471 3.063 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001148017509 1379106785 /nfs/dbraw/zinc/10/67/85/1379106785.db2.gz QSWPNGGCCXDPQW-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CCCC1)C2)C(C)C ZINC001148477271 1379181006 /nfs/dbraw/zinc/18/10/06/1379181006.db2.gz OYDUKOCTULJYPC-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC001148578970 1379216322 /nfs/dbraw/zinc/21/63/22/1379216322.db2.gz YBPYSLJWBHUMBS-QGZVFWFLSA-N 2 1 339.911 3.229 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001148578481 1379216389 /nfs/dbraw/zinc/21/63/89/1379216389.db2.gz VBSQGOPRZOEION-UHFFFAOYSA-N 2 1 339.568 3.277 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH+](C)Cc1ccccc1 ZINC001149137520 1379331587 /nfs/dbraw/zinc/33/15/87/1379331587.db2.gz CJEPNRHJJQNCEE-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001149137520 1379331592 /nfs/dbraw/zinc/33/15/92/1379331592.db2.gz CJEPNRHJJQNCEE-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001149137520 1379331595 /nfs/dbraw/zinc/33/15/95/1379331595.db2.gz CJEPNRHJJQNCEE-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C[C@H]1C ZINC001284016977 1379365889 /nfs/dbraw/zinc/36/58/89/1379365889.db2.gz LIKCTENANKLYLD-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313725 1380054199 /nfs/dbraw/zinc/05/41/99/1380054199.db2.gz VQZWTPKQQUCOQC-SJLPKXTDSA-N 2 1 325.541 3.122 20 0 EGADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153313725 1380054204 /nfs/dbraw/zinc/05/42/04/1380054204.db2.gz VQZWTPKQQUCOQC-SJLPKXTDSA-N 2 1 325.541 3.122 20 0 EGADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153313725 1380054205 /nfs/dbraw/zinc/05/42/05/1380054205.db2.gz VQZWTPKQQUCOQC-SJLPKXTDSA-N 2 1 325.541 3.122 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC1CCC1 ZINC001153432014 1380075579 /nfs/dbraw/zinc/07/55/79/1380075579.db2.gz DUSTZLKHCIHCKZ-JKSUJKDBSA-N 2 1 334.508 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC1 ZINC001153432014 1380075584 /nfs/dbraw/zinc/07/55/84/1380075584.db2.gz DUSTZLKHCIHCKZ-JKSUJKDBSA-N 2 1 334.508 3.023 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CCCCC1 ZINC001153721029 1380119063 /nfs/dbraw/zinc/11/90/63/1380119063.db2.gz RLEFHBJNPFPNPF-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC1CCCCC1 ZINC001153721029 1380119065 /nfs/dbraw/zinc/11/90/65/1380119065.db2.gz RLEFHBJNPFPNPF-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCCC1 ZINC001153721029 1380119067 /nfs/dbraw/zinc/11/90/67/1380119067.db2.gz RLEFHBJNPFPNPF-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC(C)(C)C ZINC001153727610 1380119459 /nfs/dbraw/zinc/11/94/59/1380119459.db2.gz DSGJFQBWVWWCAF-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCC(C)(C)C ZINC001153727610 1380119460 /nfs/dbraw/zinc/11/94/60/1380119460.db2.gz DSGJFQBWVWWCAF-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)(C)C ZINC001153727610 1380119461 /nfs/dbraw/zinc/11/94/61/1380119461.db2.gz DSGJFQBWVWWCAF-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153880083 1380148854 /nfs/dbraw/zinc/14/88/54/1380148854.db2.gz WZFJETIEIWARNH-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153880083 1380148855 /nfs/dbraw/zinc/14/88/55/1380148855.db2.gz WZFJETIEIWARNH-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153880083 1380148857 /nfs/dbraw/zinc/14/88/57/1380148857.db2.gz WZFJETIEIWARNH-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990770 1380172359 /nfs/dbraw/zinc/17/23/59/1380172359.db2.gz QZIHHZVYPROBKZ-IPLHWJFFSA-N 2 1 335.536 3.045 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154123421 1380212997 /nfs/dbraw/zinc/21/29/97/1380212997.db2.gz ZCAYXTWJYAACFY-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001154123421 1380213000 /nfs/dbraw/zinc/21/30/00/1380213000.db2.gz ZCAYXTWJYAACFY-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001154123421 1380213002 /nfs/dbraw/zinc/21/30/02/1380213002.db2.gz ZCAYXTWJYAACFY-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455687 1380281096 /nfs/dbraw/zinc/28/10/96/1380281096.db2.gz ZWILBCDQRDEUPG-IIFCEKJISA-N 2 1 335.536 3.044 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888838 1380373738 /nfs/dbraw/zinc/37/37/38/1380373738.db2.gz VZCSIIUFNDWGIV-MRXNPFEDSA-N 2 1 349.519 3.362 20 0 EGADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154903781 1380374672 /nfs/dbraw/zinc/37/46/72/1380374672.db2.gz DBGOJWVPIOOSAI-OAHLLOKOSA-N 2 1 339.911 3.008 20 0 EGADMP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155023951 1380393125 /nfs/dbraw/zinc/39/31/25/1380393125.db2.gz PEBNWWPXVUNDFF-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226685 1380426720 /nfs/dbraw/zinc/42/67/20/1380426720.db2.gz NGEJLVGVTYRZPV-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155226685 1380426721 /nfs/dbraw/zinc/42/67/21/1380426721.db2.gz NGEJLVGVTYRZPV-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155226685 1380426722 /nfs/dbraw/zinc/42/67/22/1380426722.db2.gz NGEJLVGVTYRZPV-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP COc1ccc2cc[nH+]c(NCC[C@H]3C[NH2+]Cc4cccn4C3)c2c1 ZINC001155459939 1380456363 /nfs/dbraw/zinc/45/63/63/1380456363.db2.gz ZPPOTHCMUFLHFW-HNNXBMFYSA-N 2 1 336.439 3.267 20 0 EGADMP COc1ccc2[nH+]c(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)cc(C)c2c1 ZINC001155600264 1380471708 /nfs/dbraw/zinc/47/17/08/1380471708.db2.gz WDGMXIGTXHMVDO-MGPUTAFESA-N 2 1 341.455 3.122 20 0 EGADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C)c1ccc(C(C)(C)C)cc1 ZINC001155811893 1380494405 /nfs/dbraw/zinc/49/44/05/1380494405.db2.gz LIAZCVYRYCMJLQ-QFBILLFUSA-N 2 1 345.531 3.235 20 0 EGADMP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825639 1380495944 /nfs/dbraw/zinc/49/59/44/1380495944.db2.gz OMWMZFIGORYMCA-MRXNPFEDSA-N 2 1 336.524 3.235 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825639 1380495946 /nfs/dbraw/zinc/49/59/46/1380495946.db2.gz OMWMZFIGORYMCA-MRXNPFEDSA-N 2 1 336.524 3.235 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC1CC(C)C1 ZINC001155877660 1380501842 /nfs/dbraw/zinc/50/18/42/1380501842.db2.gz DEKLWOJMMHIPGL-JLAWEPINSA-N 2 1 339.568 3.371 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC1CC(C)C1 ZINC001155877660 1380501843 /nfs/dbraw/zinc/50/18/43/1380501843.db2.gz DEKLWOJMMHIPGL-JLAWEPINSA-N 2 1 339.568 3.371 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(C)C1 ZINC001155877660 1380501845 /nfs/dbraw/zinc/50/18/45/1380501845.db2.gz DEKLWOJMMHIPGL-JLAWEPINSA-N 2 1 339.568 3.371 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)C/C=C/Cl ZINC001156306969 1380555237 /nfs/dbraw/zinc/55/52/37/1380555237.db2.gz YIPXUFHXBXEEEJ-YVKRRXEKSA-N 2 1 343.943 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)C/C=C/Cl ZINC001156306969 1380555239 /nfs/dbraw/zinc/55/52/39/1380555239.db2.gz YIPXUFHXBXEEEJ-YVKRRXEKSA-N 2 1 343.943 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C/Cl ZINC001156306969 1380555242 /nfs/dbraw/zinc/55/52/42/1380555242.db2.gz YIPXUFHXBXEEEJ-YVKRRXEKSA-N 2 1 343.943 3.220 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001156341580 1380561503 /nfs/dbraw/zinc/56/15/03/1380561503.db2.gz JSVJGQOPZROXNM-NQIIRXRSSA-N 2 1 347.547 3.336 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098652 1380775228 /nfs/dbraw/zinc/77/52/28/1380775228.db2.gz QZELJCRKNQJAJC-GOSISDBHSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098640 1380775187 /nfs/dbraw/zinc/77/51/87/1380775187.db2.gz PWVFTFGIKTWRAU-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157255802 1380824974 /nfs/dbraw/zinc/82/49/74/1380824974.db2.gz LUSVIHFMUJXZLF-LJQANCHMSA-N 2 1 345.531 3.279 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157702574 1381008621 /nfs/dbraw/zinc/00/86/21/1381008621.db2.gz XXLILQUNNBSHQB-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001157702574 1381008624 /nfs/dbraw/zinc/00/86/24/1381008624.db2.gz XXLILQUNNBSHQB-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001157702574 1381008626 /nfs/dbraw/zinc/00/86/26/1381008626.db2.gz XXLILQUNNBSHQB-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCC(C)C)CC[N@H+]1C ZINC001157973792 1381090003 /nfs/dbraw/zinc/09/00/03/1381090003.db2.gz PLCHWMBCMSQYTR-CEXWTWQISA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CCC(C)C)CC[NH+]1C ZINC001157973792 1381090008 /nfs/dbraw/zinc/09/00/08/1381090008.db2.gz PLCHWMBCMSQYTR-CEXWTWQISA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCC(C)C)CC[NH+]1C ZINC001157973792 1381090013 /nfs/dbraw/zinc/09/00/13/1381090013.db2.gz PLCHWMBCMSQYTR-CEXWTWQISA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@H](F)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186092 1381152027 /nfs/dbraw/zinc/15/20/27/1381152027.db2.gz MMCKEIONFQBFAU-DLBZAZTESA-N 2 1 346.450 3.009 20 0 EGADMP Cc1ccc2nc(Cl)cc(N3CCC([N@@H+]4CC[C@H]([NH3+])C4)CC3)c2c1 ZINC001158259791 1381175222 /nfs/dbraw/zinc/17/52/22/1381175222.db2.gz VHDYIJNAMSANDU-AWEZNQCLSA-N 2 1 344.890 3.198 20 0 EGADMP Cc1ccc2nc(Cl)cc(N3CCC([N@H+]4CC[C@H]([NH3+])C4)CC3)c2c1 ZINC001158259791 1381175224 /nfs/dbraw/zinc/17/52/24/1381175224.db2.gz VHDYIJNAMSANDU-AWEZNQCLSA-N 2 1 344.890 3.198 20 0 EGADMP CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001158282842 1381184358 /nfs/dbraw/zinc/18/43/58/1381184358.db2.gz AXKKPSBPSYXAGT-LJQANCHMSA-N 2 1 337.552 3.362 20 0 EGADMP CC(C)[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001158282842 1381184362 /nfs/dbraw/zinc/18/43/62/1381184362.db2.gz AXKKPSBPSYXAGT-LJQANCHMSA-N 2 1 337.552 3.362 20 0 EGADMP CC(C)[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001158282842 1381184364 /nfs/dbraw/zinc/18/43/64/1381184364.db2.gz AXKKPSBPSYXAGT-LJQANCHMSA-N 2 1 337.552 3.362 20 0 EGADMP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158434399 1381244026 /nfs/dbraw/zinc/24/40/26/1381244026.db2.gz JUFKYTPJNRVYEW-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001158474388 1381257150 /nfs/dbraw/zinc/25/71/50/1381257150.db2.gz YESSTEPMNANTJA-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001158474388 1381257155 /nfs/dbraw/zinc/25/71/55/1381257155.db2.gz YESSTEPMNANTJA-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001158474388 1381257168 /nfs/dbraw/zinc/25/71/68/1381257168.db2.gz YESSTEPMNANTJA-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480845 1381261011 /nfs/dbraw/zinc/26/10/11/1381261011.db2.gz RQARYHSPMHRHJK-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001158480845 1381261016 /nfs/dbraw/zinc/26/10/16/1381261016.db2.gz RQARYHSPMHRHJK-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001158480845 1381261020 /nfs/dbraw/zinc/26/10/20/1381261020.db2.gz RQARYHSPMHRHJK-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)C/C=C\Cl)[NH+](CC)CC ZINC001158491138 1381265812 /nfs/dbraw/zinc/26/58/12/1381265812.db2.gz LCNBRVMQCNTLDY-HJEGTUGWSA-N 2 1 343.943 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)[C@H](C)c1ccccc1 ZINC001158786885 1381399966 /nfs/dbraw/zinc/39/99/66/1381399966.db2.gz JVMFCYBBWSBEQT-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1ccccc1 ZINC001158786885 1381399972 /nfs/dbraw/zinc/39/99/72/1381399972.db2.gz JVMFCYBBWSBEQT-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC001158786885 1381399983 /nfs/dbraw/zinc/39/99/83/1381399983.db2.gz JVMFCYBBWSBEQT-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158852320 1381433371 /nfs/dbraw/zinc/43/33/71/1381433371.db2.gz BCNKBHHZWWXMFH-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1ccccc1C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001158922622 1381465746 /nfs/dbraw/zinc/46/57/46/1381465746.db2.gz GANWULLBEDNPGF-HXUWFJFHSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1ccccc1C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001158922622 1381465765 /nfs/dbraw/zinc/46/57/65/1381465765.db2.gz GANWULLBEDNPGF-HXUWFJFHSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1ccccc1C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001158922622 1381465781 /nfs/dbraw/zinc/46/57/81/1381465781.db2.gz GANWULLBEDNPGF-HXUWFJFHSA-N 2 1 345.531 3.148 20 0 EGADMP CC[C@H](C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)[NH+](CC)CC ZINC001158958621 1381486639 /nfs/dbraw/zinc/48/66/39/1381486639.db2.gz WRFKPSYCFVPNIS-LJQANCHMSA-N 2 1 345.531 3.278 20 0 EGADMP CCCc1cc(N2CCC3(CC2)[NH2+]CCc2ccccc23)nc(C)[nH+]1 ZINC001159019341 1381511134 /nfs/dbraw/zinc/51/11/34/1381511134.db2.gz JUHMYKBCPUMRQW-UHFFFAOYSA-N 2 1 336.483 3.379 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001159335266 1381767797 /nfs/dbraw/zinc/76/77/97/1381767797.db2.gz XEWNOLWNFMCBGH-UYAOXDASSA-N 2 1 345.531 3.335 20 0 EGADMP c1ccc(C[N@H+]2CCC=C(Nc3ccc4c(c3)C[NH2+]CCO4)C2)cc1 ZINC001159791081 1381901394 /nfs/dbraw/zinc/90/13/94/1381901394.db2.gz JDJRKLLPTIBSDL-UHFFFAOYSA-N 2 1 335.451 3.370 20 0 EGADMP CCOC(=O)[C@@H]([NH3+])Cc1ccc(Nc2ccc(C(C)(C)[NH3+])cc2)cc1 ZINC001159846772 1381918287 /nfs/dbraw/zinc/91/82/87/1381918287.db2.gz VMRQJFLWWRNNQI-SFHVURJKSA-N 2 1 341.455 3.057 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001159909810 1381934148 /nfs/dbraw/zinc/93/41/48/1381934148.db2.gz NOSQYLAWKAYJHK-WOJBJXKFSA-N 2 1 345.531 3.497 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001159909787 1381934433 /nfs/dbraw/zinc/93/44/33/1381934433.db2.gz NFYOOBPPZHNZGI-QFBILLFUSA-N 2 1 349.494 3.246 20 0 EGADMP Cc1nc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)cc(N2CCCC2)[nH+]1 ZINC001159948291 1381945999 /nfs/dbraw/zinc/94/59/99/1381945999.db2.gz UEVQMMXOUFLIMA-HNNXBMFYSA-N 2 1 347.466 3.145 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC001159950122 1381947146 /nfs/dbraw/zinc/94/71/46/1381947146.db2.gz VWEQGGVMMNXBEZ-QGZVFWFLSA-N 2 1 326.444 3.330 20 0 EGADMP [NH3+]C1CCN(c2cccc(F)c2Nc2cc[nH+]c3ccccc23)CC1 ZINC001160072052 1381989215 /nfs/dbraw/zinc/98/92/15/1381989215.db2.gz PUTCXNBGJJZDBR-UHFFFAOYSA-N 2 1 336.414 3.467 20 0 EGADMP COc1ccc2c[nH+]c(NCc3ccccc3N3CC[NH2+]CC3)cc2c1 ZINC001160112532 1382000768 /nfs/dbraw/zinc/00/07/68/1382000768.db2.gz OGSMFAJYYAWCMZ-UHFFFAOYSA-N 2 1 348.450 3.265 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120315 1382002996 /nfs/dbraw/zinc/00/29/96/1382002996.db2.gz LLMWZHRIKJZUAO-PKOBYXMFSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160120315 1382003000 /nfs/dbraw/zinc/00/30/00/1382003000.db2.gz LLMWZHRIKJZUAO-PKOBYXMFSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160120315 1382003004 /nfs/dbraw/zinc/00/30/04/1382003004.db2.gz LLMWZHRIKJZUAO-PKOBYXMFSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119751 1382003458 /nfs/dbraw/zinc/00/34/58/1382003458.db2.gz HUPQEFFNCKTJPS-RRFGBZISSA-N 2 1 347.547 3.354 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160119751 1382003464 /nfs/dbraw/zinc/00/34/64/1382003464.db2.gz HUPQEFFNCKTJPS-RRFGBZISSA-N 2 1 347.547 3.354 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160119751 1382003468 /nfs/dbraw/zinc/00/34/68/1382003468.db2.gz HUPQEFFNCKTJPS-RRFGBZISSA-N 2 1 347.547 3.354 20 0 EGADMP CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001160142387 1382014848 /nfs/dbraw/zinc/01/48/48/1382014848.db2.gz IQXUJWQTCCZBGL-IBGZPJMESA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001160142387 1382014852 /nfs/dbraw/zinc/01/48/52/1382014852.db2.gz IQXUJWQTCCZBGL-IBGZPJMESA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001160142387 1382014857 /nfs/dbraw/zinc/01/48/57/1382014857.db2.gz IQXUJWQTCCZBGL-IBGZPJMESA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001160142704 1382014930 /nfs/dbraw/zinc/01/49/30/1382014930.db2.gz TZHLZHMUFMTOQW-IBGZPJMESA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001160142704 1382014935 /nfs/dbraw/zinc/01/49/35/1382014935.db2.gz TZHLZHMUFMTOQW-IBGZPJMESA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001160142704 1382014939 /nfs/dbraw/zinc/01/49/39/1382014939.db2.gz TZHLZHMUFMTOQW-IBGZPJMESA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001160285551 1382060638 /nfs/dbraw/zinc/06/06/38/1382060638.db2.gz HKTJVSPYCGSMBD-PRPIBZDOSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160285551 1382060641 /nfs/dbraw/zinc/06/06/41/1382060641.db2.gz HKTJVSPYCGSMBD-PRPIBZDOSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160285551 1382060645 /nfs/dbraw/zinc/06/06/45/1382060645.db2.gz HKTJVSPYCGSMBD-PRPIBZDOSA-N 2 1 347.547 3.356 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353051 1382081333 /nfs/dbraw/zinc/08/13/33/1382081333.db2.gz OKSKHHLVPLYPSU-QUCCMNQESA-N 2 1 349.563 3.149 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160353051 1382081339 /nfs/dbraw/zinc/08/13/39/1382081339.db2.gz OKSKHHLVPLYPSU-QUCCMNQESA-N 2 1 349.563 3.149 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001160353051 1382081341 /nfs/dbraw/zinc/08/13/41/1382081341.db2.gz OKSKHHLVPLYPSU-QUCCMNQESA-N 2 1 349.563 3.149 20 0 EGADMP C[NH+](C)C1(C(=O)NCCC2=CC[N@@H+](CCC3CCCC3)CC2)CCC1 ZINC001160360844 1382083885 /nfs/dbraw/zinc/08/38/85/1382083885.db2.gz XBBDNNMISMZYFK-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCCC1=CC[N@@H+](CC2CCCCC2)CC1)C1CC1 ZINC001160367648 1382084899 /nfs/dbraw/zinc/08/48/99/1382084899.db2.gz QWIGFZNXXINUHM-HXUWFJFHSA-N 2 1 347.547 3.045 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160501272 1382125182 /nfs/dbraw/zinc/12/51/82/1382125182.db2.gz ZOQYHYRIHZJMTF-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001160501272 1382125183 /nfs/dbraw/zinc/12/51/83/1382125183.db2.gz ZOQYHYRIHZJMTF-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001160501272 1382125185 /nfs/dbraw/zinc/12/51/85/1382125185.db2.gz ZOQYHYRIHZJMTF-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP O=C(NCCC[NH2+]CC1CCC2(CC2)CC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001160870268 1382220102 /nfs/dbraw/zinc/22/01/02/1382220102.db2.gz WVHDZNMQJLEWEX-OALUTQOASA-N 2 1 347.547 3.070 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)N(CC)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001161330354 1382372740 /nfs/dbraw/zinc/37/27/40/1382372740.db2.gz MMHHTVMBIKOTIR-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444606 1382413594 /nfs/dbraw/zinc/41/35/94/1382413594.db2.gz HZQALMYNXFZJTN-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001161444606 1382413596 /nfs/dbraw/zinc/41/35/96/1382413596.db2.gz HZQALMYNXFZJTN-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001161444606 1382413600 /nfs/dbraw/zinc/41/36/00/1382413600.db2.gz HZQALMYNXFZJTN-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C(=O)N1CCC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC001161489904 1382421037 /nfs/dbraw/zinc/42/10/37/1382421037.db2.gz RIZQQEDOKXVIAF-TZIWHRDSSA-N 2 1 345.531 3.437 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161555126 1382438692 /nfs/dbraw/zinc/43/86/92/1382438692.db2.gz XGTQCVYZMFAHTD-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001161643975 1382468132 /nfs/dbraw/zinc/46/81/32/1382468132.db2.gz GEVCJYJDLBDJBD-VQIMIIECSA-N 2 1 349.494 3.103 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC001161644922 1382468415 /nfs/dbraw/zinc/46/84/15/1382468415.db2.gz VGEFNONLXPQPLQ-APWZRJJASA-N 2 1 349.494 3.103 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)CC)CC1 ZINC001161645718 1382469283 /nfs/dbraw/zinc/46/92/83/1382469283.db2.gz PJFJFZXWWMHEKO-FPLPWBNLSA-N 2 1 335.536 3.213 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001161645718 1382469286 /nfs/dbraw/zinc/46/92/86/1382469286.db2.gz PJFJFZXWWMHEKO-FPLPWBNLSA-N 2 1 335.536 3.213 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001161645718 1382469288 /nfs/dbraw/zinc/46/92/88/1382469288.db2.gz PJFJFZXWWMHEKO-FPLPWBNLSA-N 2 1 335.536 3.213 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161705491 1382486128 /nfs/dbraw/zinc/48/61/28/1382486128.db2.gz UJNZRNLXFFQOSL-VQTJNVASSA-N 2 1 349.563 3.435 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161733937 1382491241 /nfs/dbraw/zinc/49/12/41/1382491241.db2.gz PDAJRFKZQPHMIS-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)CC[N@H+](C)CCC)CC1 ZINC001161749805 1382495196 /nfs/dbraw/zinc/49/51/96/1382495196.db2.gz NNNVPUGZCMQRHJ-SREVYHEPSA-N 2 1 335.536 3.213 20 0 EGADMP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)CCC)CC1 ZINC001161749805 1382495202 /nfs/dbraw/zinc/49/52/02/1382495202.db2.gz NNNVPUGZCMQRHJ-SREVYHEPSA-N 2 1 335.536 3.213 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)CCC)CC1 ZINC001161749805 1382495204 /nfs/dbraw/zinc/49/52/04/1382495204.db2.gz NNNVPUGZCMQRHJ-SREVYHEPSA-N 2 1 335.536 3.213 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1=CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001161758609 1382496727 /nfs/dbraw/zinc/49/67/27/1382496727.db2.gz IQRIUZBJVWTXRV-GOSISDBHSA-N 2 1 343.515 3.228 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@@H+]([C@H](C)c2ccccc2)CC1 ZINC001161758609 1382496728 /nfs/dbraw/zinc/49/67/28/1382496728.db2.gz IQRIUZBJVWTXRV-GOSISDBHSA-N 2 1 343.515 3.228 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@H+]([C@H](C)c2ccccc2)CC1 ZINC001161758609 1382496731 /nfs/dbraw/zinc/49/67/31/1382496731.db2.gz IQRIUZBJVWTXRV-GOSISDBHSA-N 2 1 343.515 3.228 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001161924434 1382555137 /nfs/dbraw/zinc/55/51/37/1382555137.db2.gz CHFSCPHGACUQIP-QZTJIDSGSA-N 2 1 349.563 3.434 20 0 EGADMP [NH3+][C@H]1CC[C@H](N(CC2CCCC2)c2nc(N3CCCC3)cc[nH+]2)CC1 ZINC001162183283 1382651148 /nfs/dbraw/zinc/65/11/48/1382651148.db2.gz SWIZZCDYOOWJHM-IYARVYRRSA-N 2 1 343.519 3.343 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)Cn1c[nH+]cc1C)c1ccc(Cl)cc1 ZINC001162611944 1382808190 /nfs/dbraw/zinc/80/81/90/1382808190.db2.gz WCPHJNMDHNIODB-KRWDZBQOSA-N 2 1 348.878 3.092 20 0 EGADMP c1cc2c(cc1CNc1[nH+]cnc3[nH]c4c(c31)CCCC4)CC[NH2+]C2 ZINC001162795879 1382874862 /nfs/dbraw/zinc/87/48/62/1382874862.db2.gz ULBQYJALOATKMR-UHFFFAOYSA-N 2 1 333.439 3.095 20 0 EGADMP CCCCC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@@H+](C)CC ZINC001162977489 1382934916 /nfs/dbraw/zinc/93/49/16/1382934916.db2.gz SZNUNMMTLKNIJK-UHFFFAOYSA-N 2 1 347.547 3.179 20 0 EGADMP CCCNc1nc(NCc2cccnc2C2CC[NH2+]CC2)[nH+]cc1C ZINC001163905387 1383134744 /nfs/dbraw/zinc/13/47/44/1383134744.db2.gz PBRCLGLKNRZZHL-UHFFFAOYSA-N 2 1 340.475 3.081 20 0 EGADMP CC(C)(C)C(=O)CNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001164005135 1383145657 /nfs/dbraw/zinc/14/56/57/1383145657.db2.gz KKQUITHKODVTNX-HNNXBMFYSA-N 2 1 328.460 3.378 20 0 EGADMP Nc1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]cc1F ZINC001164486143 1383191800 /nfs/dbraw/zinc/19/18/00/1383191800.db2.gz LCWCRLAYSDDSSF-HDMKZQKVSA-N 2 1 326.419 3.125 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4[nH+]ccc5c4CCN5)[C@@H]3C2)cc1 ZINC001164487474 1383192330 /nfs/dbraw/zinc/19/23/30/1383192330.db2.gz VJZKLTFEGVNUJX-ILZDJORESA-N 2 1 334.467 3.372 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4cnc5c(c4)C[NH2+]CC5)[C@@H]3C2)cc1 ZINC001164491837 1383192556 /nfs/dbraw/zinc/19/25/56/1383192556.db2.gz HEXKLIQBMNTPDI-WEYGHZABSA-N 2 1 348.494 3.050 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC1(C[NH2+]CC=C(C)C)CC1 ZINC001164578774 1383201488 /nfs/dbraw/zinc/20/14/88/1383201488.db2.gz QRHCONRJRYFAIX-KRWDZBQOSA-N 2 1 346.519 3.239 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2nccc3ccccc32)CC1 ZINC001165108633 1383229934 /nfs/dbraw/zinc/22/99/34/1383229934.db2.gz OGDMTALCPXQSEO-GOSISDBHSA-N 2 1 325.456 3.314 20 0 EGADMP C[N@H+]1CCC[C@H](CCNc2c[nH+]c3cc(Br)ccn23)C1 ZINC001165289684 1383267020 /nfs/dbraw/zinc/26/70/20/1383267020.db2.gz IOPKBVNECDHKSP-GFCCVEGCSA-N 2 1 337.265 3.241 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001165567978 1383311173 /nfs/dbraw/zinc/31/11/73/1383311173.db2.gz CUXASDMBJUGZRW-SHCNBLLESA-N 2 1 335.536 3.093 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001165809465 1383348558 /nfs/dbraw/zinc/34/85/58/1383348558.db2.gz FOVOVIYDARDSPH-KRWDZBQOSA-N 2 1 345.531 3.354 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001166201967 1383401035 /nfs/dbraw/zinc/40/10/35/1383401035.db2.gz BRXVTURXMSNQCM-UHFFFAOYSA-N 2 1 346.519 3.038 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001167240929 1383573412 /nfs/dbraw/zinc/57/34/12/1383573412.db2.gz WEOFRBZCEKCWPR-FPLPWBNLSA-N 2 1 337.552 3.197 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001167351727 1383606462 /nfs/dbraw/zinc/60/64/62/1383606462.db2.gz JOEPANYSDXYWTA-AATRIKPKSA-N 2 1 346.519 3.239 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CCC2CC2)CC1 ZINC001167471147 1383643310 /nfs/dbraw/zinc/64/33/10/1383643310.db2.gz XNZLZRKCKMPHDW-UHFFFAOYSA-N 2 1 337.552 3.175 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001167475428 1383644766 /nfs/dbraw/zinc/64/47/66/1383644766.db2.gz DXGOSCCBYIDQKE-OAHLLOKOSA-N 2 1 346.450 3.003 20 0 EGADMP CCc1ccccc1C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167626724 1383692399 /nfs/dbraw/zinc/69/23/99/1383692399.db2.gz GHFFNNXSMBIWOA-FQEVSTJZSA-N 2 1 345.531 3.108 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001167824396 1383749526 /nfs/dbraw/zinc/74/95/26/1383749526.db2.gz OKSXOZCSWSSLBL-IJXRJRJASA-N 2 1 338.536 3.155 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC001167833545 1383753183 /nfs/dbraw/zinc/75/31/83/1383753183.db2.gz CGGJFHJNTADTJX-ICSRJNTNSA-N 2 1 334.504 3.277 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC001167836367 1383754836 /nfs/dbraw/zinc/75/48/36/1383754836.db2.gz YPTHWQXAKVDKFM-IHPCNDPISA-N 2 1 346.515 3.386 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(N2CCC(F)CC2)CC1 ZINC001167837206 1383755178 /nfs/dbraw/zinc/75/51/78/1383755178.db2.gz JFZAUFNOXDUUEG-QGZVFWFLSA-N 2 1 327.532 3.395 20 0 EGADMP OC[C@H](Cc1ccccc1Cl)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967510 1383781222 /nfs/dbraw/zinc/78/12/22/1383781222.db2.gz GJECULRKYBSZRT-HRVKUGKESA-N 2 1 348.918 3.238 20 0 EGADMP c1ccc(CN2CC[C@@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167969970 1383782064 /nfs/dbraw/zinc/78/20/64/1383782064.db2.gz IIBVMBAFXFCDKN-LQCXBHPOSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]2CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167969970 1383782069 /nfs/dbraw/zinc/78/20/69/1383782069.db2.gz IIBVMBAFXFCDKN-LQCXBHPOSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]2CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167969970 1383782072 /nfs/dbraw/zinc/78/20/72/1383782072.db2.gz IIBVMBAFXFCDKN-LQCXBHPOSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]2CNC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167969970 1383782076 /nfs/dbraw/zinc/78/20/76/1383782076.db2.gz IIBVMBAFXFCDKN-LQCXBHPOSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]2CNC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167969970 1383782077 /nfs/dbraw/zinc/78/20/77/1383782077.db2.gz IIBVMBAFXFCDKN-LQCXBHPOSA-N 2 1 339.527 3.256 20 0 EGADMP CC(C)(C)OC(=O)NC/C=C/C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167972805 1383782597 /nfs/dbraw/zinc/78/25/97/1383782597.db2.gz BZWPYKTZNCMWIV-UWGADRCPSA-N 2 1 349.519 3.062 20 0 EGADMP OC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1Cl ZINC001167975126 1383783903 /nfs/dbraw/zinc/78/39/03/1383783903.db2.gz HZXXTEYQQVTSSR-IHBAFOEMSA-N 2 1 334.891 3.368 20 0 EGADMP c1ccc2c(c1)CC[C@H](C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)O2 ZINC001167977561 1383785098 /nfs/dbraw/zinc/78/50/98/1383785098.db2.gz FDYOJLKAPZSTLM-RAFMOHDBSA-N 2 1 326.484 3.375 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCCCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168009106 1383796051 /nfs/dbraw/zinc/79/60/51/1383796051.db2.gz GWVPUTHKCZKJEV-OPVJXMOQSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009106 1383796054 /nfs/dbraw/zinc/79/60/54/1383796054.db2.gz GWVPUTHKCZKJEV-OPVJXMOQSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H]1CC([NH2+]Cc2ccc[nH]c2=O)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168020153 1383798508 /nfs/dbraw/zinc/79/85/08/1383798508.db2.gz KWMTXKXGLLOJKY-HOTGVXAUSA-N 2 1 325.456 3.318 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCN2CCC[C@H](F)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024752 1383799427 /nfs/dbraw/zinc/79/94/27/1383799427.db2.gz IOJHPWBFLQEBAQ-YHELAOLJSA-N 2 1 347.522 3.452 20 0 EGADMP C[C@@H]1C[C@@H](n2ccnc2CCC[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039471 1383801831 /nfs/dbraw/zinc/80/18/31/1383801831.db2.gz FHGOSJITSSTMMF-IZZQQSIFSA-N 2 1 326.488 3.389 20 0 EGADMP C[C@H]1C[C@@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CCO1 ZINC001168092105 1383814872 /nfs/dbraw/zinc/81/48/72/1383814872.db2.gz PICQBFVTYARIKG-LGSYHRQFSA-N 2 1 334.463 3.130 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001168229964 1383849600 /nfs/dbraw/zinc/84/96/00/1383849600.db2.gz DVWPMLSGSLWSAZ-RXVVDRJESA-N 2 1 336.479 3.274 20 0 EGADMP COC(=O)[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)[C@H]1c1ccccc1 ZINC001168319090 1383871575 /nfs/dbraw/zinc/87/15/75/1383871575.db2.gz NWJZCVCQHIYXMZ-GMNCBBECSA-N 2 1 330.472 3.095 20 0 EGADMP C[NH+](C)C1CCC([N@@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001168324914 1383873177 /nfs/dbraw/zinc/87/31/77/1383873177.db2.gz ZUZVMKFRRMYKBZ-GTPINHCMSA-N 2 1 339.524 3.048 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)CCCn1cc[nH+]c1C)c1ccccc1 ZINC001168368653 1383885693 /nfs/dbraw/zinc/88/56/93/1383885693.db2.gz FHDYCNYPXSJDDU-IBGZPJMESA-N 2 1 342.487 3.219 20 0 EGADMP COc1cc(C[N@H+](C)C2CC[NH+](CC3CC3)CC2)cc(OC)c1OC ZINC001168387238 1383892144 /nfs/dbraw/zinc/89/21/44/1383892144.db2.gz AFEQOCKPIKDOFL-UHFFFAOYSA-N 2 1 348.487 3.019 20 0 EGADMP COc1cc(C[N@@H+](C)C2CC[NH+](CC3CC3)CC2)cc(OC)c1OC ZINC001168387238 1383892148 /nfs/dbraw/zinc/89/21/48/1383892148.db2.gz AFEQOCKPIKDOFL-UHFFFAOYSA-N 2 1 348.487 3.019 20 0 EGADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168394522 1383895015 /nfs/dbraw/zinc/89/50/15/1383895015.db2.gz ASNZSWSEPYMQOW-FQEVSTJZSA-N 2 1 342.483 3.485 20 0 EGADMP COc1ccc([C@@H]2C[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)CCO2)cc1 ZINC001168597449 1383945066 /nfs/dbraw/zinc/94/50/66/1383945066.db2.gz AXVMNHKXSQYQLR-XLIONFOSSA-N 2 1 330.472 3.132 20 0 EGADMP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1c[nH+]c2c(Br)cccn12 ZINC001168601813 1383945856 /nfs/dbraw/zinc/94/58/56/1383945856.db2.gz WZRGQZAHAOCLDT-STQMWFEESA-N 2 1 337.265 3.382 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]CC1CCCCC1 ZINC001168615396 1383949346 /nfs/dbraw/zinc/94/93/46/1383949346.db2.gz PTIRRRYDYBCUGQ-UHFFFAOYSA-N 2 1 325.541 3.175 20 0 EGADMP [NH3+]C1(Cc2ccccn2)CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168704381 1383974670 /nfs/dbraw/zinc/97/46/70/1383974670.db2.gz FXDXJBOUMBGJEN-QGZVFWFLSA-N 2 1 341.886 3.238 20 0 EGADMP CC[N@@H+]1CC=C(c2cnc(NCC(C)(C)C[NH+](C)C)c(C)c2)CC1 ZINC001168766771 1383996226 /nfs/dbraw/zinc/99/62/26/1383996226.db2.gz SOYJDRMBNRDIIT-UHFFFAOYSA-N 2 1 330.520 3.499 20 0 EGADMP CC[NH+](CC)CCC[N@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001307782778 1384031146 /nfs/dbraw/zinc/03/11/46/1384031146.db2.gz ILUUVZPXZRSVAT-UHFFFAOYSA-N 2 1 327.513 3.098 20 0 EGADMP CC[NH+](CC)CCC[N@@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001307782778 1384031149 /nfs/dbraw/zinc/03/11/49/1384031149.db2.gz ILUUVZPXZRSVAT-UHFFFAOYSA-N 2 1 327.513 3.098 20 0 EGADMP Clc1ccc(N2CC[NH+](CCC[N@@H+]3CC[C@H]4C[C@H]4C3)CC2)cc1 ZINC001307951036 1384061934 /nfs/dbraw/zinc/06/19/34/1384061934.db2.gz FPYLYTBKCCOOES-IRXDYDNUSA-N 2 1 333.907 3.194 20 0 EGADMP Clc1ccc(N2CC[NH+](CCC[N@H+]3CC[C@H]4C[C@H]4C3)CC2)cc1 ZINC001307951036 1384061935 /nfs/dbraw/zinc/06/19/35/1384061935.db2.gz FPYLYTBKCCOOES-IRXDYDNUSA-N 2 1 333.907 3.194 20 0 EGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)c1cccc2ccccc21 ZINC001308089300 1384090179 /nfs/dbraw/zinc/09/01/79/1384090179.db2.gz LSOVAJBJKLGODS-JTSKRJEESA-N 2 1 347.462 3.479 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccnc(NC(=O)OC(C)(C)C)c1)C2 ZINC001169090224 1384105152 /nfs/dbraw/zinc/10/51/52/1384105152.db2.gz IUIXWCDAVOJCPQ-MUJYYYPQSA-N 2 1 346.475 3.143 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccnc(NC(=O)OC(C)(C)C)c1)C2 ZINC001169090224 1384105154 /nfs/dbraw/zinc/10/51/54/1384105154.db2.gz IUIXWCDAVOJCPQ-MUJYYYPQSA-N 2 1 346.475 3.143 20 0 EGADMP COc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C(F)(F)F ZINC001169099132 1384106758 /nfs/dbraw/zinc/10/67/58/1384106758.db2.gz NUQNBUJGEGQUHG-ZSOGYDGISA-N 2 1 328.378 3.429 20 0 EGADMP COc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C(F)(F)F ZINC001169099132 1384106759 /nfs/dbraw/zinc/10/67/59/1384106759.db2.gz NUQNBUJGEGQUHG-ZSOGYDGISA-N 2 1 328.378 3.429 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)C2 ZINC001169100290 1384107156 /nfs/dbraw/zinc/10/71/56/1384107156.db2.gz IIYNNDRBHLSCME-NWJSVONSSA-N 2 1 329.271 3.242 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)C2 ZINC001169100290 1384107157 /nfs/dbraw/zinc/10/71/57/1384107157.db2.gz IIYNNDRBHLSCME-NWJSVONSSA-N 2 1 329.271 3.242 20 0 EGADMP Cc1cc(F)ccc1CN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169109054 1384108016 /nfs/dbraw/zinc/10/80/16/1384108016.db2.gz HFJLWCVSFHXKKV-MZADTFQBSA-N 2 1 345.506 3.313 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]31)C2 ZINC001169131586 1384110794 /nfs/dbraw/zinc/11/07/94/1384110794.db2.gz WDHUWPMZBDRAMW-AANPDWTMSA-N 2 1 339.527 3.208 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC001169131586 1384110796 /nfs/dbraw/zinc/11/07/96/1384110796.db2.gz WDHUWPMZBDRAMW-AANPDWTMSA-N 2 1 339.527 3.208 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC001169131586 1384110798 /nfs/dbraw/zinc/11/07/98/1384110798.db2.gz WDHUWPMZBDRAMW-AANPDWTMSA-N 2 1 339.527 3.208 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@H]3CCC[C@@]3(COc3ccccn3)C1)C2 ZINC001169133931 1384111916 /nfs/dbraw/zinc/11/19/16/1384111916.db2.gz NMQXYGKGEIGQTG-YRIDSSQKSA-N 2 1 341.499 3.188 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@H]3CCC[C@@]3(COc3ccccn3)C1)C2 ZINC001169133931 1384111919 /nfs/dbraw/zinc/11/19/19/1384111919.db2.gz NMQXYGKGEIGQTG-YRIDSSQKSA-N 2 1 341.499 3.188 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@H]3CCC[C@@]3(COc3ccccn3)C1)C2 ZINC001169133931 1384111921 /nfs/dbraw/zinc/11/19/21/1384111921.db2.gz NMQXYGKGEIGQTG-YRIDSSQKSA-N 2 1 341.499 3.188 20 0 EGADMP COCC[N@@H+](C)Cc1ccnc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1 ZINC001169141499 1384112697 /nfs/dbraw/zinc/11/26/97/1384112697.db2.gz JWKWNKMVRQDLAC-FXAWDEMLSA-N 2 1 348.535 3.115 20 0 EGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144643 1384114030 /nfs/dbraw/zinc/11/40/30/1384114030.db2.gz LHYDICXMCWAYFN-KOUNCHBCSA-N 3 1 341.543 3.456 20 0 EGADMP C[NH+](CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169144643 1384114032 /nfs/dbraw/zinc/11/40/32/1384114032.db2.gz LHYDICXMCWAYFN-KOUNCHBCSA-N 3 1 341.543 3.456 20 0 EGADMP C[NH+](CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169144643 1384114033 /nfs/dbraw/zinc/11/40/33/1384114033.db2.gz LHYDICXMCWAYFN-KOUNCHBCSA-N 3 1 341.543 3.456 20 0 EGADMP CN1[C@@H]2CC[C@H]1C[C@H]([N@H+](C)CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169144643 1384114035 /nfs/dbraw/zinc/11/40/35/1384114035.db2.gz LHYDICXMCWAYFN-KOUNCHBCSA-N 2 1 341.543 3.456 20 0 EGADMP CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C)CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169144643 1384114036 /nfs/dbraw/zinc/11/40/36/1384114036.db2.gz LHYDICXMCWAYFN-KOUNCHBCSA-N 2 1 341.543 3.456 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC001308303878 1384117630 /nfs/dbraw/zinc/11/76/30/1384117630.db2.gz QTWVYBWFEBRKPE-UHFFFAOYSA-N 2 1 328.859 3.458 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)CC2)CC1 ZINC001169231185 1384125278 /nfs/dbraw/zinc/12/52/78/1384125278.db2.gz VKMFNWNOJWBTKM-IYBDPMFKSA-N 2 1 339.524 3.144 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169280597 1384131764 /nfs/dbraw/zinc/13/17/64/1384131764.db2.gz UCHUPDUVGRZANM-JLAWEPINSA-N 2 1 330.472 3.229 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+](C3CCC(OC(=O)c4ccccc4)CC3)C2)C1 ZINC001169306330 1384134415 /nfs/dbraw/zinc/13/44/15/1384134415.db2.gz XVRUTZKERPJKBN-GZNCHQMQSA-N 2 1 342.483 3.182 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+](C3CCC(OC(=O)c4ccccc4)CC3)C2)C1 ZINC001169306330 1384134417 /nfs/dbraw/zinc/13/44/17/1384134417.db2.gz XVRUTZKERPJKBN-GZNCHQMQSA-N 2 1 342.483 3.182 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](C3CCC(OC(=O)c4ccccc4)CC3)C2)C1 ZINC001169306330 1384134420 /nfs/dbraw/zinc/13/44/20/1384134420.db2.gz XVRUTZKERPJKBN-GZNCHQMQSA-N 2 1 342.483 3.182 20 0 EGADMP CCOC(=O)N1CCC[C@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169672326 1384171458 /nfs/dbraw/zinc/17/14/58/1384171458.db2.gz OETGHHFVASKQKC-BZSNNMDCSA-N 2 1 339.524 3.225 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170753159 1384379417 /nfs/dbraw/zinc/37/94/17/1384379417.db2.gz MUOGHNSQNUJLJA-VDRZXAFZSA-N 2 1 332.532 3.101 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170753159 1384379420 /nfs/dbraw/zinc/37/94/20/1384379420.db2.gz MUOGHNSQNUJLJA-VDRZXAFZSA-N 2 1 332.532 3.101 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170753159 1384379424 /nfs/dbraw/zinc/37/94/24/1384379424.db2.gz MUOGHNSQNUJLJA-VDRZXAFZSA-N 2 1 332.532 3.101 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCC(C)(C)C ZINC001170783902 1384384744 /nfs/dbraw/zinc/38/47/44/1384384744.db2.gz ATOQFOOUPUHUQU-KRWDZBQOSA-N 2 1 325.541 3.173 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170846920 1384397610 /nfs/dbraw/zinc/39/76/10/1384397610.db2.gz BMPDNHYIAIOIOW-DLBZAZTESA-N 2 1 337.305 3.380 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C)CC[N@H+]1C ZINC001170870535 1384402097 /nfs/dbraw/zinc/40/20/97/1384402097.db2.gz ISXNSNWXGXSTOK-FGTMMUONSA-N 2 1 325.541 3.027 20 0 EGADMP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001171120986 1384449584 /nfs/dbraw/zinc/44/95/84/1384449584.db2.gz QTTQKAPXVXECSF-FNYRVFDFSA-N 2 1 337.552 3.482 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)nn1 ZINC001171167304 1384458697 /nfs/dbraw/zinc/45/86/97/1384458697.db2.gz QZQGYLFKBBAPCH-CQSZACIVSA-N 2 1 346.438 3.113 20 0 EGADMP C[C@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171253768 1384479399 /nfs/dbraw/zinc/47/93/99/1384479399.db2.gz JQJQMNPIFCOUHQ-MRXNPFEDSA-N 2 1 349.494 3.075 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171505859 1384544890 /nfs/dbraw/zinc/54/48/90/1384544890.db2.gz NHBMSJATEKUDJC-JSGCOSHPSA-N 2 1 326.406 3.283 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H]([C@@H](N)C(F)(F)F)C2)CC1(C)C ZINC001171631104 1384586062 /nfs/dbraw/zinc/58/60/62/1384586062.db2.gz WEVCJMHQKFEPTO-TZMCWYRMSA-N 2 1 335.458 3.239 20 0 EGADMP CC(C)C(=O)N1CC[C@H]2C[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC[C@H]21 ZINC001171637253 1384588216 /nfs/dbraw/zinc/58/82/16/1384588216.db2.gz LLJFBSZCSKPTCI-FUHWJXTLSA-N 2 1 349.563 3.217 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl ZINC001171645923 1384591048 /nfs/dbraw/zinc/59/10/48/1384591048.db2.gz DDCDZJYRDBZEDO-GJWDQICYSA-N 2 1 343.943 3.124 20 0 EGADMP C[C@@H]1C[C@H](N2CC[NH+](C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171755013 1384625943 /nfs/dbraw/zinc/62/59/43/1384625943.db2.gz LCGGDRWKCNWTQW-NQIIRXRSSA-N 2 1 327.516 3.210 20 0 EGADMP C[C@H]1C[C@@H](N2CCC([NH+](C)C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171758692 1384626767 /nfs/dbraw/zinc/62/67/67/1384626767.db2.gz AFOXMZDGGXQOIN-LAUBAEHRSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@H]1C[C@@H](N2CCC([N@H+](C)C3CC3)CC2)C[NH+]1Cc1ccccc1 ZINC001171758692 1384626769 /nfs/dbraw/zinc/62/67/69/1384626769.db2.gz AFOXMZDGGXQOIN-LAUBAEHRSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@H]1C[C@@H](N2CCC([N@@H+](C)C3CC3)CC2)C[NH+]1Cc1ccccc1 ZINC001171758692 1384626773 /nfs/dbraw/zinc/62/67/73/1384626773.db2.gz AFOXMZDGGXQOIN-LAUBAEHRSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@H]1C[C@H](N2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[N@H+]1Cc1ccccc1 ZINC001171769583 1384630171 /nfs/dbraw/zinc/63/01/71/1384630171.db2.gz UOEPNTSVOJUPLV-ZIBCJSCZSA-N 2 1 345.506 3.158 20 0 EGADMP CC[C@@H]1C[C@H]([N@@H+](C)C[C@@H](C)C[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171817072 1384648921 /nfs/dbraw/zinc/64/89/21/1384648921.db2.gz ZGJPAVJPMWEPBQ-MWDXBVQZSA-N 2 1 341.540 3.470 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001171820853 1384650769 /nfs/dbraw/zinc/65/07/69/1384650769.db2.gz HTNADIZIRILAKZ-MRXNPFEDSA-N 2 1 334.508 3.036 20 0 EGADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171829261 1384652697 /nfs/dbraw/zinc/65/26/97/1384652697.db2.gz WIPIFVRRNNPVTA-HNNXBMFYSA-N 2 1 348.491 3.187 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001171918215 1384681169 /nfs/dbraw/zinc/68/11/69/1384681169.db2.gz MTQYUDXBXFBPDU-KRWDZBQOSA-N 2 1 337.552 3.316 20 0 EGADMP CC1(C)C[C@@H](NCc2cn3cccnc3n2)CC[N@H+]1Cc1ccccc1 ZINC001171965089 1384697559 /nfs/dbraw/zinc/69/75/59/1384697559.db2.gz OAZJTVNJYDNPMX-SFHVURJKSA-N 2 1 349.482 3.262 20 0 EGADMP CC1(C)C[C@H](N2C[C@H](F)C[C@@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976251 1384700920 /nfs/dbraw/zinc/70/09/20/1384700920.db2.gz JOJBJYGXOWJWLC-GUDVDZBRSA-N 2 1 334.479 3.082 20 0 EGADMP COC(=O)CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171979643 1384702833 /nfs/dbraw/zinc/70/28/33/1384702833.db2.gz MSIFNUOCWPGDSM-SFHVURJKSA-N 2 1 332.488 3.363 20 0 EGADMP Cc1nc2c(n1[C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C[NH2+]CC2 ZINC001171987804 1384706868 /nfs/dbraw/zinc/70/68/68/1384706868.db2.gz KASBRJFHRDCVLK-SFHVURJKSA-N 2 1 338.499 3.453 20 0 EGADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068383 1384716767 /nfs/dbraw/zinc/71/67/67/1384716767.db2.gz QKOMLESSZABDBE-ALGQRKQJSA-N 2 1 328.500 3.323 20 0 EGADMP Cn1cnc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172069989 1384717684 /nfs/dbraw/zinc/71/76/84/1384717684.db2.gz ZICVAOYTQJTRQT-MZADTFQBSA-N 2 1 338.499 3.138 20 0 EGADMP O[C@@H]1CC[C@@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068388 1384718466 /nfs/dbraw/zinc/71/84/66/1384718466.db2.gz QKOMLESSZABDBE-YMQHIKHWSA-N 2 1 328.500 3.323 20 0 EGADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@H]4OCC[C@H]42)C3)cc1 ZINC001172069323 1384718927 /nfs/dbraw/zinc/71/89/27/1384718927.db2.gz PBBFMXQYGYTPOB-FDKIHUSFSA-N 2 1 326.484 3.435 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@H]4OCC[C@H]42)C3)cc1 ZINC001172069323 1384718932 /nfs/dbraw/zinc/71/89/32/1384718932.db2.gz PBBFMXQYGYTPOB-FDKIHUSFSA-N 2 1 326.484 3.435 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CC[C@H]4OCC[C@H]42)C3)cc1 ZINC001172069323 1384718934 /nfs/dbraw/zinc/71/89/34/1384718934.db2.gz PBBFMXQYGYTPOB-FDKIHUSFSA-N 2 1 326.484 3.435 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CC[C@H]4OCC[C@H]42)C3)cc1 ZINC001172069323 1384718937 /nfs/dbraw/zinc/71/89/37/1384718937.db2.gz PBBFMXQYGYTPOB-FDKIHUSFSA-N 2 1 326.484 3.435 20 0 EGADMP C[N@H+]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172079757 1384721883 /nfs/dbraw/zinc/72/18/83/1384721883.db2.gz QVRLSWWWUABVAA-WKCHPHFGSA-N 2 1 327.516 3.210 20 0 EGADMP C[NH+]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172079757 1384721886 /nfs/dbraw/zinc/72/18/86/1384721886.db2.gz QVRLSWWWUABVAA-WKCHPHFGSA-N 2 1 327.516 3.210 20 0 EGADMP C[NH+]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172079757 1384721888 /nfs/dbraw/zinc/72/18/88/1384721888.db2.gz QVRLSWWWUABVAA-WKCHPHFGSA-N 2 1 327.516 3.210 20 0 EGADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172090377 1384724328 /nfs/dbraw/zinc/72/43/28/1384724328.db2.gz UYTDNRYKZRWNLG-WIYBCGNWSA-N 2 1 339.527 3.351 20 0 EGADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172090377 1384724333 /nfs/dbraw/zinc/72/43/33/1384724333.db2.gz UYTDNRYKZRWNLG-WIYBCGNWSA-N 2 1 339.527 3.351 20 0 EGADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172090377 1384724337 /nfs/dbraw/zinc/72/43/37/1384724337.db2.gz UYTDNRYKZRWNLG-WIYBCGNWSA-N 2 1 339.527 3.351 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(c3ncccc3Cl)CC1)C2 ZINC001172107559 1384728202 /nfs/dbraw/zinc/72/82/02/1384728202.db2.gz ZYWZNIFXUSRRQI-BJWYYQGGSA-N 2 1 348.922 3.309 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(c3ncccc3Cl)CC1)C2 ZINC001172107559 1384728205 /nfs/dbraw/zinc/72/82/05/1384728205.db2.gz ZYWZNIFXUSRRQI-BJWYYQGGSA-N 2 1 348.922 3.309 20 0 EGADMP CCCN(CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC001172112404 1384729691 /nfs/dbraw/zinc/72/96/91/1384729691.db2.gz VSXRALJVTJFORP-BJWYYQGGSA-N 2 1 339.524 3.238 20 0 EGADMP COc1ccccc1C1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCOCC1 ZINC001172110943 1384730201 /nfs/dbraw/zinc/73/02/01/1384730201.db2.gz MDLZAUJJDSBWJZ-NNZMDNLPSA-N 2 1 344.499 3.306 20 0 EGADMP COc1ccccc1C1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCOCC1 ZINC001172110943 1384730202 /nfs/dbraw/zinc/73/02/02/1384730202.db2.gz MDLZAUJJDSBWJZ-NNZMDNLPSA-N 2 1 344.499 3.306 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C3CCCC3)CC1)C2 ZINC001172110936 1384730216 /nfs/dbraw/zinc/73/02/16/1384730216.db2.gz MBSOGPYTPFFJMV-CCQCEHTISA-N 2 1 347.547 3.209 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C3CCCC3)CC1)C2 ZINC001172110936 1384730219 /nfs/dbraw/zinc/73/02/19/1384730219.db2.gz MBSOGPYTPFFJMV-CCQCEHTISA-N 2 1 347.547 3.209 20 0 EGADMP COc1cccc(C2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCOCC2)c1 ZINC001172114775 1384731392 /nfs/dbraw/zinc/73/13/92/1384731392.db2.gz QBWJKRPOSHSNNV-LDLYASANSA-N 2 1 344.499 3.306 20 0 EGADMP COc1cccc(C2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCOCC2)c1 ZINC001172114775 1384731394 /nfs/dbraw/zinc/73/13/94/1384731394.db2.gz QBWJKRPOSHSNNV-LDLYASANSA-N 2 1 344.499 3.306 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)C2 ZINC001172118812 1384732193 /nfs/dbraw/zinc/73/21/93/1384732193.db2.gz TTYJOFAPGHHHQI-KSWRQPAISA-N 2 1 337.508 3.037 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)C2 ZINC001172118812 1384732196 /nfs/dbraw/zinc/73/21/96/1384732196.db2.gz TTYJOFAPGHHHQI-KSWRQPAISA-N 2 1 337.508 3.037 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(O)(c3ccccc3F)CC1)C2 ZINC001172121790 1384733818 /nfs/dbraw/zinc/73/38/18/1384733818.db2.gz MNTOASUWPGFZDS-BJWYYQGGSA-N 2 1 332.463 3.124 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(O)(c3ccccc3F)CC1)C2 ZINC001172121790 1384733821 /nfs/dbraw/zinc/73/38/21/1384733821.db2.gz MNTOASUWPGFZDS-BJWYYQGGSA-N 2 1 332.463 3.124 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccc3cc(N4CC[NH2+]CC4)ccc31)C2 ZINC001172130509 1384737686 /nfs/dbraw/zinc/73/76/86/1384737686.db2.gz PELPBOUUOBQKTI-RUYXUALKSA-N 2 1 338.499 3.239 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCN(c3ccc(F)cc3)CC1)C2 ZINC001172132712 1384738060 /nfs/dbraw/zinc/73/80/60/1384738060.db2.gz NEACKMTZIAHQJN-PMOLBWCYSA-N 2 1 331.479 3.353 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCN(c3ccc(F)cc3)CC1)C2 ZINC001172132712 1384738062 /nfs/dbraw/zinc/73/80/62/1384738062.db2.gz NEACKMTZIAHQJN-PMOLBWCYSA-N 2 1 331.479 3.353 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCN(c3ccc(F)cc3)CC1)C2 ZINC001172132712 1384738065 /nfs/dbraw/zinc/73/80/65/1384738065.db2.gz NEACKMTZIAHQJN-PMOLBWCYSA-N 2 1 331.479 3.353 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCN(c3ccc(F)cc3)CC1)C2 ZINC001172132712 1384738066 /nfs/dbraw/zinc/73/80/66/1384738066.db2.gz NEACKMTZIAHQJN-PMOLBWCYSA-N 2 1 331.479 3.353 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001316996007 1384753199 /nfs/dbraw/zinc/75/31/99/1384753199.db2.gz UGDLFPQNNAVSFV-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172235519 1384753669 /nfs/dbraw/zinc/75/36/69/1384753669.db2.gz BTUJKKHBHXASPO-RKONGWCXSA-N 2 1 344.458 3.049 20 0 EGADMP CC1(C)C[C@@H]([N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)CO1 ZINC001172292625 1384761905 /nfs/dbraw/zinc/76/19/05/1384761905.db2.gz NAKWFPZKGAWJMW-OMQSBVIBSA-N 2 1 330.516 3.449 20 0 EGADMP CC1(C)C[C@@H]([N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)CO1 ZINC001172292625 1384761908 /nfs/dbraw/zinc/76/19/08/1384761908.db2.gz NAKWFPZKGAWJMW-OMQSBVIBSA-N 2 1 330.516 3.449 20 0 EGADMP CC1(C)C[C@@H]([NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)CO1 ZINC001172292625 1384761910 /nfs/dbraw/zinc/76/19/10/1384761910.db2.gz NAKWFPZKGAWJMW-OMQSBVIBSA-N 2 1 330.516 3.449 20 0 EGADMP CC1(C)C[C@@H]([NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)CO1 ZINC001172292625 1384761914 /nfs/dbraw/zinc/76/19/14/1384761914.db2.gz NAKWFPZKGAWJMW-OMQSBVIBSA-N 2 1 330.516 3.449 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C[C@H]1C ZINC001172369173 1384778547 /nfs/dbraw/zinc/77/85/47/1384778547.db2.gz PSVYMCYBDOOGOM-LPOYBJAFSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C[C@H]1C ZINC001172369173 1384778549 /nfs/dbraw/zinc/77/85/49/1384778549.db2.gz PSVYMCYBDOOGOM-LPOYBJAFSA-N 2 1 330.516 3.284 20 0 EGADMP CC(C)OCC[C@H](C)[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172448687 1384793922 /nfs/dbraw/zinc/79/39/22/1384793922.db2.gz WYHKGIWHSRSOOL-OALUTQOASA-N 2 1 326.525 3.013 20 0 EGADMP CC(C)OCC[C@H](C)[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172448687 1384793924 /nfs/dbraw/zinc/79/39/24/1384793924.db2.gz WYHKGIWHSRSOOL-OALUTQOASA-N 2 1 326.525 3.013 20 0 EGADMP CC(C)OCC[C@H](C)[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001172448687 1384793927 /nfs/dbraw/zinc/79/39/27/1384793927.db2.gz WYHKGIWHSRSOOL-OALUTQOASA-N 2 1 326.525 3.013 20 0 EGADMP CC(C)OCC[C@H](C)[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001172448687 1384793929 /nfs/dbraw/zinc/79/39/29/1384793929.db2.gz WYHKGIWHSRSOOL-OALUTQOASA-N 2 1 326.525 3.013 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172542947 1384809925 /nfs/dbraw/zinc/80/99/25/1384809925.db2.gz JXTUIEVFMOBBJK-YUMYIRISSA-N 2 1 341.543 3.423 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](Oc3nccnc3C)C2)CC1 ZINC001173114068 1384917829 /nfs/dbraw/zinc/91/78/29/1384917829.db2.gz UTVJHUCGXYUDMP-CTWPCTMYSA-N 2 1 346.519 3.281 20 0 EGADMP CC[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)C1 ZINC001173281413 1384951260 /nfs/dbraw/zinc/95/12/60/1384951260.db2.gz YALWBVJEZCNIHM-SLHNCBLASA-N 2 1 345.535 3.030 20 0 EGADMP CC[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)C1 ZINC001173281413 1384951262 /nfs/dbraw/zinc/95/12/62/1384951262.db2.gz YALWBVJEZCNIHM-SLHNCBLASA-N 2 1 345.535 3.030 20 0 EGADMP CC[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)C1 ZINC001173281413 1384951265 /nfs/dbraw/zinc/95/12/65/1384951265.db2.gz YALWBVJEZCNIHM-SLHNCBLASA-N 2 1 345.535 3.030 20 0 EGADMP CC[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)C1 ZINC001173281413 1384951272 /nfs/dbraw/zinc/95/12/72/1384951272.db2.gz YALWBVJEZCNIHM-SLHNCBLASA-N 2 1 345.535 3.030 20 0 EGADMP CC[N@H+]1CC[C@H](n2cc(CC[NH3+])c3cccc(Br)c32)C1 ZINC001173361781 1384964126 /nfs/dbraw/zinc/96/41/26/1384964126.db2.gz WWXBCZSYAYJVQW-ZDUSSCGKSA-N 2 1 336.277 3.172 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001317206102 1384981978 /nfs/dbraw/zinc/98/19/78/1384981978.db2.gz RDSBHMDQWUAIFK-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001317206102 1384981981 /nfs/dbraw/zinc/98/19/81/1384981981.db2.gz RDSBHMDQWUAIFK-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001317206102 1384981983 /nfs/dbraw/zinc/98/19/83/1384981983.db2.gz RDSBHMDQWUAIFK-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CCOC(=O)[C@H]1CC12CCC([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)CC2 ZINC001173607940 1384987423 /nfs/dbraw/zinc/98/74/23/1384987423.db2.gz SJKKIJJUKRVWDG-KYBDOYODSA-N 2 1 348.531 3.353 20 0 EGADMP CCOC(=O)[C@H]1CC12CCC([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)CC2 ZINC001173607940 1384987427 /nfs/dbraw/zinc/98/74/27/1384987427.db2.gz SJKKIJJUKRVWDG-KYBDOYODSA-N 2 1 348.531 3.353 20 0 EGADMP CC[NH+]1CCC([NH2+]C2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001173673560 1385001219 /nfs/dbraw/zinc/00/12/19/1385001219.db2.gz PHHGHYVYXMTHRK-HUUCEWRRSA-N 2 1 339.524 3.237 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[N@@H+](CCC[NH3+])C2CCCCC2)cc1 ZINC001173709646 1385006329 /nfs/dbraw/zinc/00/63/29/1385006329.db2.gz PKSFVDIFXYQYQR-INIZCTEOSA-N 2 1 332.488 3.388 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC001173714939 1385007615 /nfs/dbraw/zinc/00/76/15/1385007615.db2.gz LJFMFSHTRUSOMZ-IRXDYDNUSA-N 2 1 332.488 3.258 20 0 EGADMP CC(C)[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001174882883 1385164783 /nfs/dbraw/zinc/16/47/83/1385164783.db2.gz XOZDGRMVFMUBPT-HKUYNNGSSA-N 2 1 337.552 3.457 20 0 EGADMP Cc1cc(C)c(C[N@@H+](C)CCNC(=O)CC[NH+]2CCCCC2)c(C)c1 ZINC001317471671 1385166605 /nfs/dbraw/zinc/16/66/05/1385166605.db2.gz NNZAGRAORBUNOQ-UHFFFAOYSA-N 2 1 345.531 3.036 20 0 EGADMP CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1ccccc1C ZINC001317478643 1385175099 /nfs/dbraw/zinc/17/50/99/1385175099.db2.gz RKZIQSJILZVDTK-UHFFFAOYSA-N 2 1 345.531 3.198 20 0 EGADMP CCCC[N@@H+](CCC(=O)N(C)CC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174982930 1385178638 /nfs/dbraw/zinc/17/86/38/1385178638.db2.gz BBMKRPIEDZSCFS-UHFFFAOYSA-N 2 1 325.541 3.266 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1c(C)cc(C)cc1C)[NH+](C)C ZINC001317513855 1385227767 /nfs/dbraw/zinc/22/77/67/1385227767.db2.gz ZQEPHTCXPKFGNJ-QUCCMNQESA-N 2 1 345.531 3.033 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175255428 1385229732 /nfs/dbraw/zinc/22/97/32/1385229732.db2.gz FLYZYZDTPFZOQX-IAGOWNOFSA-N 2 1 325.541 3.172 20 0 EGADMP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175264356 1385234195 /nfs/dbraw/zinc/23/41/95/1385234195.db2.gz UAAZBYREUFMYIS-QZTJIDSGSA-N 2 1 325.541 3.173 20 0 EGADMP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175265113 1385234269 /nfs/dbraw/zinc/23/42/69/1385234269.db2.gz XIDAOOSRQCGIIT-MGBKSAOESA-N 2 1 337.552 3.339 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175297318 1385242230 /nfs/dbraw/zinc/24/22/30/1385242230.db2.gz UMBUUDHVOPQCDB-INIZCTEOSA-N 2 1 325.541 3.029 20 0 EGADMP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175295612 1385242555 /nfs/dbraw/zinc/24/25/55/1385242555.db2.gz HLZRHDMZMFOILN-IRXDYDNUSA-N 2 1 327.557 3.275 20 0 EGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001175564991 1385333359 /nfs/dbraw/zinc/33/33/59/1385333359.db2.gz FQPHHTCEJHNALC-KRWDZBQOSA-N 2 1 336.524 3.461 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001317623119 1385358385 /nfs/dbraw/zinc/35/83/85/1385358385.db2.gz KVBAEUKQBBWBMD-WMZOPIPTSA-N 2 1 349.494 3.057 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)C1 ZINC001175703444 1385378154 /nfs/dbraw/zinc/37/81/54/1385378154.db2.gz BQBFVTJMKQSRJO-HFCFLWKCSA-N 2 1 348.535 3.282 20 0 EGADMP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176165243 1385500652 /nfs/dbraw/zinc/50/06/52/1385500652.db2.gz KGGAFHUZJFNXBO-IAGOWNOFSA-N 2 1 325.541 3.029 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001176269565 1385533300 /nfs/dbraw/zinc/53/33/00/1385533300.db2.gz VTKAIENMTQHLIQ-KRWDZBQOSA-N 2 1 325.541 3.173 20 0 EGADMP COCC[C@@H](c1ccccc1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001176280337 1385537967 /nfs/dbraw/zinc/53/79/67/1385537967.db2.gz AGYQLFXIYMMRKP-XLIONFOSSA-N 2 1 325.456 3.370 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001176285032 1385538442 /nfs/dbraw/zinc/53/84/42/1385538442.db2.gz LXIPEQBGUBHAHE-KRWDZBQOSA-N 2 1 325.541 3.173 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)c1ccccc1 ZINC001176285772 1385539560 /nfs/dbraw/zinc/53/95/60/1385539560.db2.gz RBYLWQYRRJZGEF-ROUUACIJSA-N 2 1 333.520 3.354 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001317856905 1385542032 /nfs/dbraw/zinc/54/20/32/1385542032.db2.gz KPXXQRNXOHUKRS-AZUAARDMSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001317856905 1385542039 /nfs/dbraw/zinc/54/20/39/1385542039.db2.gz KPXXQRNXOHUKRS-AZUAARDMSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001317856905 1385542041 /nfs/dbraw/zinc/54/20/41/1385542041.db2.gz KPXXQRNXOHUKRS-AZUAARDMSA-N 2 1 345.531 3.260 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317973259 1385594185 /nfs/dbraw/zinc/59/41/85/1385594185.db2.gz SHLYTCGCBWRDHZ-MSOLQXFVSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH2+]C[C@@H](C)CC(C)C ZINC001176591926 1385634967 /nfs/dbraw/zinc/63/49/67/1385634967.db2.gz SWSUNEUIKCAPBZ-DLBZAZTESA-N 2 1 336.524 3.138 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001176759574 1385687175 /nfs/dbraw/zinc/68/71/75/1385687175.db2.gz KCGADSOLHXUPFJ-XLIONFOSSA-N 2 1 345.531 3.354 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CCC)CC1 ZINC001318462102 1385707078 /nfs/dbraw/zinc/70/70/78/1385707078.db2.gz PYHMLVYQKAHKRE-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCC)CC1 ZINC001318462102 1385707081 /nfs/dbraw/zinc/70/70/81/1385707081.db2.gz PYHMLVYQKAHKRE-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CCC)CC1 ZINC001318462102 1385707086 /nfs/dbraw/zinc/70/70/86/1385707086.db2.gz PYHMLVYQKAHKRE-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176820074 1385713627 /nfs/dbraw/zinc/71/36/27/1385713627.db2.gz INAMCKABUTWNDK-RTBURBONSA-N 2 1 347.547 3.429 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176820074 1385713632 /nfs/dbraw/zinc/71/36/32/1385713632.db2.gz INAMCKABUTWNDK-RTBURBONSA-N 2 1 347.547 3.429 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)C[N@@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC001176975126 1385759432 /nfs/dbraw/zinc/75/94/32/1385759432.db2.gz KBCOGUKANYPGNK-QGZVFWFLSA-N 2 1 339.911 3.227 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001176992286 1385765518 /nfs/dbraw/zinc/76/55/18/1385765518.db2.gz LGLHCRREIALBMS-IBGZPJMESA-N 2 1 337.552 3.317 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CCC1=CCCCC1)c1ccccc1 ZINC001177016367 1385773035 /nfs/dbraw/zinc/77/30/35/1385773035.db2.gz KQZGETPXFHSXSF-HXUWFJFHSA-N 2 1 343.515 3.276 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(Br)nc2)CC1 ZINC001177200299 1385858575 /nfs/dbraw/zinc/85/85/75/1385858575.db2.gz VWCBMUPCDUDTBE-UHFFFAOYSA-N 2 1 326.282 3.054 20 0 EGADMP CC(C)[C@H](CN[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCC1 ZINC001177208824 1385864906 /nfs/dbraw/zinc/86/49/06/1385864906.db2.gz AHOTZLBTNNSGQB-TYPHKJRUSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[C@H](CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCC1 ZINC001177208824 1385864913 /nfs/dbraw/zinc/86/49/13/1385864913.db2.gz AHOTZLBTNNSGQB-TYPHKJRUSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[C@H](C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C)[NH+]1CCCC1 ZINC001177208824 1385864918 /nfs/dbraw/zinc/86/49/18/1385864918.db2.gz AHOTZLBTNNSGQB-TYPHKJRUSA-N 2 1 329.532 3.217 20 0 EGADMP c1cc(OC[C@H]2CCCO2)ccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001177334703 1385917489 /nfs/dbraw/zinc/91/74/89/1385917489.db2.gz XFKPRUIHVBLUHK-OAQYLSRUSA-N 2 1 344.499 3.208 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001177342442 1385921144 /nfs/dbraw/zinc/92/11/44/1385921144.db2.gz NHTPREDBPWUYRQ-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP C[N@H+](CC(=O)NCCC[NH2+]CCCC1CCCC1)Cc1ccccc1 ZINC001177344259 1385922112 /nfs/dbraw/zinc/92/21/12/1385922112.db2.gz BOBGQNLEXZZWEP-UHFFFAOYSA-N 2 1 345.531 3.185 20 0 EGADMP C[N@@H+](CC(=O)NCCC[NH2+]CCCC1CCCC1)Cc1ccccc1 ZINC001177344259 1385922116 /nfs/dbraw/zinc/92/21/16/1385922116.db2.gz BOBGQNLEXZZWEP-UHFFFAOYSA-N 2 1 345.531 3.185 20 0 EGADMP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001177348157 1385923590 /nfs/dbraw/zinc/92/35/90/1385923590.db2.gz AODZTRIKUZIUSL-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N(CCC[NH2+]CCCF)CC1CCCC1 ZINC001177352897 1385926256 /nfs/dbraw/zinc/92/62/56/1385926256.db2.gz PURBDEPXGADOMP-UHFFFAOYSA-N 2 1 343.531 3.075 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N(CCC[NH2+]C/C=C/Cl)CC1CCCC1 ZINC001177489214 1385976395 /nfs/dbraw/zinc/97/63/95/1385976395.db2.gz URLPKPRVIFVGDH-UXBLZVDNSA-N 2 1 343.943 3.078 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CC(C)C1 ZINC001178472486 1386227770 /nfs/dbraw/zinc/22/77/70/1386227770.db2.gz WFWJHVZLNCGUNF-CTWPCTMYSA-N 2 1 337.552 3.172 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178483639 1386230811 /nfs/dbraw/zinc/23/08/11/1386230811.db2.gz HCXBKGAMQZNCBP-PMACEKPBSA-N 2 1 349.563 3.317 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178484611 1386231496 /nfs/dbraw/zinc/23/14/96/1386231496.db2.gz WWRDBEYZBZQJSR-MOPGFXCFSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1ccc(C[NH2+]CCCCCCNC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001178702820 1386283521 /nfs/dbraw/zinc/28/35/21/1386283521.db2.gz WGZDBGDZJLXOKG-UHFFFAOYSA-N 2 1 345.531 3.246 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001178728722 1386291105 /nfs/dbraw/zinc/29/11/05/1386291105.db2.gz CBLXKNDPZKYTAO-QZTJIDSGSA-N 2 1 325.541 3.173 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001178854192 1386329940 /nfs/dbraw/zinc/32/99/40/1386329940.db2.gz XUSLWDGEMBEXQH-UHFFFAOYSA-N 2 1 327.557 3.419 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]CC[C@@H](C)F)C1 ZINC001179358020 1386462909 /nfs/dbraw/zinc/46/29/09/1386462909.db2.gz QPGPBMZALJLTJL-QZTJIDSGSA-N 2 1 343.531 3.123 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC[NH+](C)CC2CCCCC2)C1 ZINC001320035551 1386466463 /nfs/dbraw/zinc/46/64/63/1386466463.db2.gz UBHZWNVLLSJQKD-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)CC[N@H+](C)CC2CCCCC2)C1 ZINC001320035551 1386466465 /nfs/dbraw/zinc/46/64/65/1386466465.db2.gz UBHZWNVLLSJQKD-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)CC[N@@H+](C)CC2CCCCC2)C1 ZINC001320035551 1386466466 /nfs/dbraw/zinc/46/64/66/1386466466.db2.gz UBHZWNVLLSJQKD-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001179590706 1386525556 /nfs/dbraw/zinc/52/55/56/1386525556.db2.gz KZFUFVDEVPHVQK-MJGOQNOKSA-N 2 1 337.552 3.031 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001179592965 1386526858 /nfs/dbraw/zinc/52/68/58/1386526858.db2.gz SBTUPEAUDOKQAT-UHFFFAOYSA-N 2 1 325.541 3.197 20 0 EGADMP CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001179746820 1386570819 /nfs/dbraw/zinc/57/08/19/1386570819.db2.gz YSQUDYUNDKPIHS-SFHVURJKSA-N 2 1 325.541 3.316 20 0 EGADMP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001179777373 1386581343 /nfs/dbraw/zinc/58/13/43/1386581343.db2.gz VQLXNQCBNRKXTQ-KRWDZBQOSA-N 2 1 336.524 3.291 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC001320364966 1386589142 /nfs/dbraw/zinc/58/91/42/1386589142.db2.gz SQEPMURKFLRPHR-CVEARBPZSA-N 2 1 341.499 3.355 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(C)c2)[C@@H]1C ZINC001179979434 1386656739 /nfs/dbraw/zinc/65/67/39/1386656739.db2.gz XWULRBXAIBMEFQ-HBFSDRIKSA-N 2 1 345.531 3.367 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]C/C=C/c1ccccc1 ZINC001180121755 1386704213 /nfs/dbraw/zinc/70/42/13/1386704213.db2.gz UXDWUZSMPDIDCS-SDNWHVSQSA-N 2 1 345.531 3.308 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180259774 1386748793 /nfs/dbraw/zinc/74/87/93/1386748793.db2.gz MGBYWBFNQBHEPY-MOPGFXCFSA-N 2 1 345.531 3.274 20 0 EGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001180298980 1386758560 /nfs/dbraw/zinc/75/85/60/1386758560.db2.gz IWLRCSVQOPBNJT-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001180298980 1386758563 /nfs/dbraw/zinc/75/85/63/1386758563.db2.gz IWLRCSVQOPBNJT-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)cc2)cn1 ZINC001321318664 1386874893 /nfs/dbraw/zinc/87/48/93/1386874893.db2.gz NENZOHDGGSPAFL-UHFFFAOYSA-N 2 1 338.499 3.395 20 0 EGADMP C[NH+](C)CCc1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2)cc1 ZINC001181140054 1386943666 /nfs/dbraw/zinc/94/36/66/1386943666.db2.gz HDFXTFAFKYDSAU-UHFFFAOYSA-N 2 1 339.483 3.251 20 0 EGADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCC34CCCC4)c2)CC1 ZINC001321796937 1386985977 /nfs/dbraw/zinc/98/59/77/1386985977.db2.gz LENIOKGEDWOMLG-FQEVSTJZSA-N 2 1 327.516 3.246 20 0 EGADMP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001181672687 1387036198 /nfs/dbraw/zinc/03/61/98/1387036198.db2.gz YWWDABYVIFEXGM-VWICVCDTSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001182124996 1387108468 /nfs/dbraw/zinc/10/84/68/1387108468.db2.gz IPUXSMBUZYGDPT-CNZSNBMASA-N 2 1 346.519 3.012 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001322229279 1387110859 /nfs/dbraw/zinc/11/08/59/1387110859.db2.gz AAHNOYNUSHPVID-CRAIPNDOSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](C[N@H+](C)CC1CCCCC1)NC(=O)C[NH+](C)Cc1ccccc1 ZINC001322308291 1387153125 /nfs/dbraw/zinc/15/31/25/1387153125.db2.gz WHVIKMCGRAAIIE-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP C[C@H](C[N@@H+](C)CC1CCCCC1)NC(=O)C[NH+](C)Cc1ccccc1 ZINC001322308291 1387153127 /nfs/dbraw/zinc/15/31/27/1387153127.db2.gz WHVIKMCGRAAIIE-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP C[C@H](C[NH+](C)CC1CCCCC1)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001322308291 1387153128 /nfs/dbraw/zinc/15/31/28/1387153128.db2.gz WHVIKMCGRAAIIE-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP C[C@H](C[NH+](C)CC1CCCCC1)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001322308291 1387153130 /nfs/dbraw/zinc/15/31/30/1387153130.db2.gz WHVIKMCGRAAIIE-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182590776 1387192740 /nfs/dbraw/zinc/19/27/40/1387192740.db2.gz SZTHSBKAOLUIJR-CZHQAMEJSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001182806179 1387227504 /nfs/dbraw/zinc/22/75/04/1387227504.db2.gz AIMHQDXDRVLHDQ-SLYNCCJLSA-N 2 1 349.563 3.124 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccccc3N3CCCC3)C2)C1 ZINC001329612549 1389183786 /nfs/dbraw/zinc/18/37/86/1389183786.db2.gz NDFZJYBZCTULDN-SFHLNBCPSA-N 2 1 343.515 3.005 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2c(C)cccc2C)CC1 ZINC001698718085 1406362344 /nfs/dbraw/zinc/36/23/44/1406362344.db2.gz QQPUEFPQOIXACT-WGSAOQKQSA-N 2 1 345.531 3.162 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCCC[NH+]1Cc1ccc(C)cc1 ZINC001329936218 1389265642 /nfs/dbraw/zinc/26/56/42/1389265642.db2.gz JYWUWQQOWODEKT-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccc(C)cc1 ZINC001329936218 1389265644 /nfs/dbraw/zinc/26/56/44/1389265644.db2.gz JYWUWQQOWODEKT-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@H+]1Cc1ccc(C)cc1 ZINC001329936218 1389265648 /nfs/dbraw/zinc/26/56/48/1389265648.db2.gz JYWUWQQOWODEKT-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC2(C1)CCC[N@@H+](CCCC(C)(C)C)C2 ZINC001330502180 1389434862 /nfs/dbraw/zinc/43/48/62/1389434862.db2.gz PIBBDPHAUUFXOM-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP Cn1c2cc(F)ccc2[nH+]c1NC1CCN(c2cc[nH+]cc2)CC1 ZINC001338177460 1389573027 /nfs/dbraw/zinc/57/30/27/1389573027.db2.gz JNLSJWDMNTZPGD-UHFFFAOYSA-N 2 1 325.391 3.188 20 0 EGADMP C[N@@H+](CCCC1CCC1)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001331073674 1389620265 /nfs/dbraw/zinc/62/02/65/1389620265.db2.gz ALSCIXWYOCSCFO-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)c2cccc3c2CC[NH2+]C3)cc1Cl ZINC001331433995 1389746890 /nfs/dbraw/zinc/74/68/90/1389746890.db2.gz GIGDUKIRZSVOGI-UHFFFAOYSA-N 2 1 343.858 3.300 20 0 EGADMP C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]C/C=C/c1ccccc1 ZINC001331562471 1389800525 /nfs/dbraw/zinc/80/05/25/1389800525.db2.gz ZHGGNXGNLJDGCJ-LVMGUKCRSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001331633315 1389839016 /nfs/dbraw/zinc/83/90/16/1389839016.db2.gz VKIGIUMGEUEKCN-ZIAGYGMSSA-N 2 1 348.878 3.043 20 0 EGADMP Cc1cc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc2cccnc12 ZINC001332026709 1389950865 /nfs/dbraw/zinc/95/08/65/1389950865.db2.gz VNZBKZZTFZLVGY-UHFFFAOYSA-N 2 1 339.483 3.276 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H]1C ZINC001332199540 1390036752 /nfs/dbraw/zinc/03/67/52/1390036752.db2.gz QDOPQOJKQTVNFU-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC001332199540 1390036756 /nfs/dbraw/zinc/03/67/56/1390036756.db2.gz QDOPQOJKQTVNFU-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC001332199540 1390036761 /nfs/dbraw/zinc/03/67/61/1390036761.db2.gz QDOPQOJKQTVNFU-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@H]([NH3+])C(C)(C)C)cc2)C1 ZINC001340107495 1390227972 /nfs/dbraw/zinc/22/79/72/1390227972.db2.gz YOOWTTJMJMGWEO-YJBOKZPZSA-N 2 1 347.503 3.109 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC001340131001 1390233251 /nfs/dbraw/zinc/23/32/51/1390233251.db2.gz FXVYDFUFYLCAQL-LXZJYRNTSA-N 2 1 342.483 3.286 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC001340131001 1390233254 /nfs/dbraw/zinc/23/32/54/1390233254.db2.gz FXVYDFUFYLCAQL-LXZJYRNTSA-N 2 1 342.483 3.286 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)ccc1OC ZINC001333841888 1390420275 /nfs/dbraw/zinc/42/02/75/1390420275.db2.gz OZADHKHMQDOYOC-KSZLIROESA-N 2 1 332.488 3.256 20 0 EGADMP CCCCC[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001341041108 1390430546 /nfs/dbraw/zinc/43/05/46/1390430546.db2.gz NOBHTLXIGORUAT-QRQLOZEOSA-N 2 1 335.536 3.020 20 0 EGADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(Cl)cc1O ZINC001334358149 1390524549 /nfs/dbraw/zinc/52/45/49/1390524549.db2.gz WYDZBNCOPDJTPR-GUTXKFCHSA-N 2 1 338.879 3.216 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N1C[C@H](CC[NH3+])c2ccccc21)c1ccccc1 ZINC001342297980 1390597671 /nfs/dbraw/zinc/59/76/71/1390597671.db2.gz BYEDDWNUVUNZCR-PXNSSMCTSA-N 2 1 337.467 3.159 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1C[C@H](CC[NH3+])c2ccccc21)c1ccccc1 ZINC001342297980 1390597673 /nfs/dbraw/zinc/59/76/73/1390597673.db2.gz BYEDDWNUVUNZCR-PXNSSMCTSA-N 2 1 337.467 3.159 20 0 EGADMP CCN(CC)c1ncc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)s1 ZINC001335133863 1390646860 /nfs/dbraw/zinc/64/68/60/1390646860.db2.gz LLANUISDDBBEJI-XHSDSOJGSA-N 2 1 336.549 3.151 20 0 EGADMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1OC ZINC001335134562 1390647405 /nfs/dbraw/zinc/64/74/05/1390647405.db2.gz TUEHNHSBLWGSJK-RCCFBDPRSA-N 2 1 332.488 3.256 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001351288021 1391621851 /nfs/dbraw/zinc/62/18/51/1391621851.db2.gz KNTVYTSKZBOVTN-RBUKOAKNSA-N 2 1 331.504 3.059 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2c(C)cnn2COC)CC1)CC1CC1 ZINC001351976558 1391734018 /nfs/dbraw/zinc/73/40/18/1391734018.db2.gz WNVLJXANDWYKNT-UHFFFAOYSA-N 2 1 348.535 3.129 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001488872163 1391737488 /nfs/dbraw/zinc/73/74/88/1391737488.db2.gz JTONPNHTGJNEQJ-IYARVYRRSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC(C)(C)C[NH3+] ZINC001353468882 1392017558 /nfs/dbraw/zinc/01/75/58/1392017558.db2.gz JFMGSJMXYYECBI-MRXNPFEDSA-N 2 1 331.504 3.052 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001480267415 1392651846 /nfs/dbraw/zinc/65/18/46/1392651846.db2.gz MQPRZCMEOLKIGJ-HXUWFJFHSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC001480267415 1392651850 /nfs/dbraw/zinc/65/18/50/1392651850.db2.gz MQPRZCMEOLKIGJ-HXUWFJFHSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001480267415 1392651851 /nfs/dbraw/zinc/65/18/51/1392651851.db2.gz MQPRZCMEOLKIGJ-HXUWFJFHSA-N 2 1 345.531 3.055 20 0 EGADMP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001480380749 1392723887 /nfs/dbraw/zinc/72/38/87/1392723887.db2.gz XKCISLABCDLYIF-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCc1cccc(C[NH+](C)[C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)c1 ZINC001480740428 1392906511 /nfs/dbraw/zinc/90/65/11/1392906511.db2.gz YZOPGBASOIUEBE-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1cccc(C[N@@H+](C)[C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)c1 ZINC001480740428 1392906514 /nfs/dbraw/zinc/90/65/14/1392906514.db2.gz YZOPGBASOIUEBE-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1cccc(C[N@H+](C)[C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)c1 ZINC001480740428 1392906518 /nfs/dbraw/zinc/90/65/18/1392906518.db2.gz YZOPGBASOIUEBE-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP C[NH+](C)CCc1ccc(C(=O)NCC[N@@H+](C)CC2CCCCC2)cc1 ZINC001480913888 1393016320 /nfs/dbraw/zinc/01/63/20/1393016320.db2.gz QWESVWYCXBSZJV-UHFFFAOYSA-N 2 1 345.531 3.033 20 0 EGADMP CC[C@H](C)C[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001480975712 1393060124 /nfs/dbraw/zinc/06/01/24/1393060124.db2.gz ZRUUTPBQRBERQQ-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@H](C)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001480975712 1393060126 /nfs/dbraw/zinc/06/01/26/1393060126.db2.gz ZRUUTPBQRBERQQ-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@H](C)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001480975712 1393060130 /nfs/dbraw/zinc/06/01/30/1393060130.db2.gz ZRUUTPBQRBERQQ-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001481147587 1393133864 /nfs/dbraw/zinc/13/38/64/1393133864.db2.gz GOCSDRLCNHCRQI-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001481147587 1393133865 /nfs/dbraw/zinc/13/38/65/1393133865.db2.gz GOCSDRLCNHCRQI-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCN(C)C(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001481216298 1393150267 /nfs/dbraw/zinc/15/02/67/1393150267.db2.gz XKKCGVFIYUQVSB-QFBILLFUSA-N 2 1 331.504 3.013 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001490606064 1394280355 /nfs/dbraw/zinc/28/03/55/1394280355.db2.gz PYWGPYCRGZHKTG-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001491302808 1394502441 /nfs/dbraw/zinc/50/24/41/1394502441.db2.gz YWGBMBDZWYKXAE-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC1([NH2+]CC2CC(C)C2)CCCC1 ZINC001482231125 1394824873 /nfs/dbraw/zinc/82/48/73/1394824873.db2.gz LQOGWKPIATZISD-UHFFFAOYSA-N 2 1 346.519 3.071 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001484762021 1395514739 /nfs/dbraw/zinc/51/47/39/1395514739.db2.gz NJOWNGPHYAVHNQ-IBGZPJMESA-N 2 1 345.531 3.260 20 0 EGADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)Cc1cccc2ccccc21 ZINC001485346215 1395817972 /nfs/dbraw/zinc/81/79/72/1395817972.db2.gz RKPAZTJGEPRPST-KRWDZBQOSA-N 2 1 341.499 3.118 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001485714211 1396114043 /nfs/dbraw/zinc/11/40/43/1396114043.db2.gz BVSZHDBQNPATRN-YLJYHZDGSA-N 2 1 345.531 3.279 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)Cc2ccc(C)c(C)c2)CC1 ZINC001485766704 1396143060 /nfs/dbraw/zinc/14/30/60/1396143060.db2.gz OHQBKBOSXPHQAF-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@H+](C)Cc2ccc(C)c(C)c2)CC1 ZINC001485766704 1396143061 /nfs/dbraw/zinc/14/30/61/1396143061.db2.gz OHQBKBOSXPHQAF-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](C)Cc2ccc(C)c(C)c2)CC1 ZINC001485766704 1396143063 /nfs/dbraw/zinc/14/30/63/1396143063.db2.gz OHQBKBOSXPHQAF-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCN(C)[C@@H](C)c1ccccc1F ZINC001492442113 1396322334 /nfs/dbraw/zinc/32/23/34/1396322334.db2.gz UILKJHIAFMUESW-QFBILLFUSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](C)c1ccccc1F ZINC001492442113 1396322336 /nfs/dbraw/zinc/32/23/36/1396322336.db2.gz UILKJHIAFMUESW-QFBILLFUSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1F ZINC001492442113 1396322337 /nfs/dbraw/zinc/32/23/37/1396322337.db2.gz UILKJHIAFMUESW-QFBILLFUSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC001492442113 1396322338 /nfs/dbraw/zinc/32/23/38/1396322338.db2.gz UILKJHIAFMUESW-QFBILLFUSA-N 2 1 349.494 3.198 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001687475433 1396387564 /nfs/dbraw/zinc/38/75/64/1396387564.db2.gz CYJLSVAPMXNGOZ-AZUAARDMSA-N 2 1 343.515 3.073 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001687475433 1396387567 /nfs/dbraw/zinc/38/75/67/1396387567.db2.gz CYJLSVAPMXNGOZ-AZUAARDMSA-N 2 1 343.515 3.073 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C[NH2+][C@@H](C)c2ccc(F)cc2)CCCC1 ZINC001495204702 1396524357 /nfs/dbraw/zinc/52/43/57/1396524357.db2.gz CJKSSXFTEWERHG-INIZCTEOSA-N 2 1 349.494 3.247 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001699010993 1406840184 /nfs/dbraw/zinc/84/01/84/1406840184.db2.gz JHOSDRIZXDELBF-KRWDZBQOSA-N 2 1 349.494 3.153 20 0 EGADMP CC(C)[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001689052708 1396848289 /nfs/dbraw/zinc/84/82/89/1396848289.db2.gz PTAHYPIUTCDERN-IAGOWNOFSA-N 2 1 334.508 3.022 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCCC[N@H+]2CC2CCCCCC2)CC1 ZINC001690452400 1404578380 /nfs/dbraw/zinc/57/83/80/1404578380.db2.gz DFGJHFMHXGZXOP-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)c1ccccc1C[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001725174255 1425687940 /nfs/dbraw/zinc/68/79/40/1425687940.db2.gz SQIIEERBDMJGTI-XLIONFOSSA-N 2 1 347.547 3.333 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001725176230 1425692738 /nfs/dbraw/zinc/69/27/38/1425692738.db2.gz YDCCUSJRTURVDM-ROUUACIJSA-N 2 1 343.515 3.121 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001690784263 1404731435 /nfs/dbraw/zinc/73/14/35/1404731435.db2.gz IXUKBIRHUNAOAN-RTBURBONSA-N 2 1 349.494 3.015 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001690784853 1404732485 /nfs/dbraw/zinc/73/24/85/1404732485.db2.gz NPRFERPHSZXVJN-JFYHIKNKSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@@H+](C)CCNC(=O)C[NH+]2CC[C@@H](C)C2)cc1 ZINC001690978624 1404888901 /nfs/dbraw/zinc/88/89/01/1404888901.db2.gz YDTNGDINSYSYEQ-MSOLQXFVSA-N 2 1 345.531 3.261 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+](C)CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001690978624 1404888902 /nfs/dbraw/zinc/88/89/02/1404888902.db2.gz YDTNGDINSYSYEQ-MSOLQXFVSA-N 2 1 345.531 3.261 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+](C)CCNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001690978624 1404888907 /nfs/dbraw/zinc/88/89/07/1404888907.db2.gz YDTNGDINSYSYEQ-MSOLQXFVSA-N 2 1 345.531 3.261 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)[C@H](C)c1cccc(C)c1 ZINC001691020258 1404933532 /nfs/dbraw/zinc/93/35/32/1404933532.db2.gz PZSPJBYYMQUMKV-UYAOXDASSA-N 2 1 345.531 3.367 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H](C)c1cccc(C)c1 ZINC001691020258 1404933536 /nfs/dbraw/zinc/93/35/36/1404933536.db2.gz PZSPJBYYMQUMKV-UYAOXDASSA-N 2 1 345.531 3.367 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H](C)c1cccc(C)c1 ZINC001691020258 1404933541 /nfs/dbraw/zinc/93/35/41/1404933541.db2.gz PZSPJBYYMQUMKV-UYAOXDASSA-N 2 1 345.531 3.367 20 0 EGADMP CC[C@H](C(=O)NCC[N@@H+](CC)[C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001691047419 1404959640 /nfs/dbraw/zinc/95/96/40/1404959640.db2.gz BHGXFPXEPHRTAY-RHSMWYFYSA-N 2 1 339.911 3.179 20 0 EGADMP C[C@@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC001725505225 1426187472 /nfs/dbraw/zinc/18/74/72/1426187472.db2.gz KGYUXWKAOHTFTI-IRXDYDNUSA-N 2 1 333.520 3.162 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001691100149 1405038801 /nfs/dbraw/zinc/03/88/01/1405038801.db2.gz NUZYLEFVYFOLIL-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@H+]1CCCC1CCC1 ZINC001691100149 1405038803 /nfs/dbraw/zinc/03/88/03/1405038803.db2.gz NUZYLEFVYFOLIL-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001691147343 1405080069 /nfs/dbraw/zinc/08/00/69/1405080069.db2.gz UTRIXINEPGOWCP-CADBVGFASA-N 2 1 337.552 3.026 20 0 EGADMP CC[NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccc(C(C)C)cc1 ZINC001691766954 1405479116 /nfs/dbraw/zinc/47/91/16/1405479116.db2.gz IGAVCAOODBYONN-LJQANCHMSA-N 2 1 331.504 3.061 20 0 EGADMP C[NH+]1CCC(C(=O)NCC[C@H]2CC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC001732052064 1428293081 /nfs/dbraw/zinc/29/30/81/1428293081.db2.gz CLROBYKZRSPFCY-IBGZPJMESA-N 2 1 349.563 3.127 20 0 EGADMP CCCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001732075085 1428326524 /nfs/dbraw/zinc/32/65/24/1428326524.db2.gz NCPCQFQMSNMMQT-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCC[C@@H]1C ZINC001732261414 1428501668 /nfs/dbraw/zinc/50/16/68/1428501668.db2.gz ZCEFVVLRANODEA-PXNSSMCTSA-N 2 1 348.535 3.317 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001699204514 1412572917 /nfs/dbraw/zinc/57/29/17/1412572917.db2.gz MCSCSRSLBYYBJH-KRWDZBQOSA-N 2 1 333.520 3.164 20 0 EGADMP Cc1cccc(C[NH2+]C[C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC001699414175 1412728907 /nfs/dbraw/zinc/72/89/07/1412728907.db2.gz SZRXDVJUHNKJLO-SFHVURJKSA-N 2 1 345.531 3.244 20 0 EGADMP C[C@@H](C[NH2+]Cc1ccccc1C1CC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001699422901 1412737971 /nfs/dbraw/zinc/73/79/71/1412737971.db2.gz QSUUEOLGCMJLNH-INIZCTEOSA-N 2 1 345.531 3.136 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001699428773 1412745364 /nfs/dbraw/zinc/74/53/64/1412745364.db2.gz OWJROWMGRJSPPP-AOCRQIFASA-N 2 1 339.568 3.275 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC1CCC(C)(C)CC1)[NH+](C)C ZINC001699462723 1412820262 /nfs/dbraw/zinc/82/02/62/1412820262.db2.gz AVJBTLYFOFQYPH-SJLPKXTDSA-N 2 1 339.568 3.226 20 0 EGADMP C[N@@H+](CC(=O)NCC[NH+](CCF)C1CCCCCC1)CC(C)(C)C ZINC001699683212 1413078053 /nfs/dbraw/zinc/07/80/53/1413078053.db2.gz HWZGAUVJICRNEH-UHFFFAOYSA-N 2 1 343.531 3.075 20 0 EGADMP C[NH+](CC(=O)NCC[N@H+](CCF)C1CCCCCC1)CC(C)(C)C ZINC001699683212 1413078054 /nfs/dbraw/zinc/07/80/54/1413078054.db2.gz HWZGAUVJICRNEH-UHFFFAOYSA-N 2 1 343.531 3.075 20 0 EGADMP C[NH+](CC(=O)NCC[N@@H+](CCF)C1CCCCCC1)CC(C)(C)C ZINC001699683212 1413078059 /nfs/dbraw/zinc/07/80/59/1413078059.db2.gz HWZGAUVJICRNEH-UHFFFAOYSA-N 2 1 343.531 3.075 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2C)C[C@H]1C ZINC001699737710 1413149044 /nfs/dbraw/zinc/14/90/44/1413149044.db2.gz JIJCHRANJIXQNL-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001700365307 1413887752 /nfs/dbraw/zinc/88/77/52/1413887752.db2.gz VJAWFBQDPOQQCJ-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001700365307 1413887755 /nfs/dbraw/zinc/88/77/55/1413887755.db2.gz VJAWFBQDPOQQCJ-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001700365307 1413887757 /nfs/dbraw/zinc/88/77/57/1413887757.db2.gz VJAWFBQDPOQQCJ-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001700478490 1414110725 /nfs/dbraw/zinc/11/07/25/1414110725.db2.gz QBRWMYHIGPPUOF-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)[C@H](C)CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001700488434 1414137659 /nfs/dbraw/zinc/13/76/59/1414137659.db2.gz YLLWGVITKMDQBI-MOPGFXCFSA-N 2 1 345.531 3.369 20 0 EGADMP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC001733007281 1429128059 /nfs/dbraw/zinc/12/80/59/1429128059.db2.gz RMKDJWKFPNOWFL-SFHVURJKSA-N 2 1 345.531 3.244 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC2(C[C@@H]1C)CC[NH+](CC(C)C)CC2 ZINC001707123537 1417210711 /nfs/dbraw/zinc/21/07/11/1417210711.db2.gz FQQDRBSOVRGKAD-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001733043009 1429172899 /nfs/dbraw/zinc/17/28/99/1429172899.db2.gz BRRJYQJSEMKSLP-SJLPKXTDSA-N 2 1 331.504 3.059 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC(N(C)C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001713052352 1417604409 /nfs/dbraw/zinc/60/44/09/1417604409.db2.gz CIABILGCSIWVLC-KRWDZBQOSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001713279463 1417905204 /nfs/dbraw/zinc/90/52/04/1417905204.db2.gz ZNRHFYPPCIJSEH-ROUUACIJSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001713279875 1417905932 /nfs/dbraw/zinc/90/59/32/1417905932.db2.gz VPCIARVKXLWSOU-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001713279875 1417905938 /nfs/dbraw/zinc/90/59/38/1417905938.db2.gz VPCIARVKXLWSOU-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001713279875 1417905942 /nfs/dbraw/zinc/90/59/42/1417905942.db2.gz VPCIARVKXLWSOU-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP C[N@@H+](CC(=O)NC1CCC([NH2+]CCC2CCCC2)CC1)C1CCC1 ZINC001713287529 1417914917 /nfs/dbraw/zinc/91/49/17/1417914917.db2.gz HNAPDKDVFISEEC-UHFFFAOYSA-N 2 1 335.536 3.068 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+][C@@H](C)c2ccccc2)CC1 ZINC001713291661 1417919538 /nfs/dbraw/zinc/91/95/38/1417919538.db2.gz TZTFBPUYKPHYPG-IVMQYODDSA-N 2 1 331.504 3.106 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)Cc1ccc(F)cc1 ZINC001713493358 1418195155 /nfs/dbraw/zinc/19/51/55/1418195155.db2.gz HPTMTFIWZHHFEG-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)Cc1ccc(F)cc1 ZINC001713493358 1418195160 /nfs/dbraw/zinc/19/51/60/1418195160.db2.gz HPTMTFIWZHHFEG-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)Cc1ccc(F)cc1 ZINC001713493358 1418195164 /nfs/dbraw/zinc/19/51/64/1418195164.db2.gz HPTMTFIWZHHFEG-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001713792970 1418611782 /nfs/dbraw/zinc/61/17/82/1418611782.db2.gz AWJNSGCHFGUMDA-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001713792970 1418611786 /nfs/dbraw/zinc/61/17/86/1418611786.db2.gz AWJNSGCHFGUMDA-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001713792970 1418611787 /nfs/dbraw/zinc/61/17/87/1418611787.db2.gz AWJNSGCHFGUMDA-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001713826091 1418626345 /nfs/dbraw/zinc/62/63/45/1418626345.db2.gz ULAWJPTYSOPQQG-FNYRVFDFSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001713826091 1418626347 /nfs/dbraw/zinc/62/63/47/1418626347.db2.gz ULAWJPTYSOPQQG-FNYRVFDFSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001713826091 1418626350 /nfs/dbraw/zinc/62/63/50/1418626350.db2.gz ULAWJPTYSOPQQG-FNYRVFDFSA-N 2 1 335.536 3.044 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CCC)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001713857936 1418654724 /nfs/dbraw/zinc/65/47/24/1418654724.db2.gz DLIMFJAOSQTYJO-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H](C)CNC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC001714277780 1419057698 /nfs/dbraw/zinc/05/76/98/1419057698.db2.gz DUBAVPWWCWDXIV-SJORKVTESA-N 2 1 342.487 3.170 20 0 EGADMP C[N@@H+](CCC(=O)NCC1([NH2+]CC2CC2)CCCC1)C1CCCCC1 ZINC001714500336 1419226429 /nfs/dbraw/zinc/22/64/29/1419226429.db2.gz LNRIORVDLKYYLN-UHFFFAOYSA-N 2 1 335.536 3.070 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001714556515 1419283970 /nfs/dbraw/zinc/28/39/70/1419283970.db2.gz QJPTWPIKDSIWLX-UYAOXDASSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001714556515 1419283973 /nfs/dbraw/zinc/28/39/73/1419283973.db2.gz QJPTWPIKDSIWLX-UYAOXDASSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001714556515 1419283975 /nfs/dbraw/zinc/28/39/75/1419283975.db2.gz QJPTWPIKDSIWLX-UYAOXDASSA-N 2 1 345.531 3.226 20 0 EGADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC001714717718 1419482664 /nfs/dbraw/zinc/48/26/64/1419482664.db2.gz QXVCXHOKLCOXQI-YLJYHZDGSA-N 2 1 343.515 3.203 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001714728422 1419485583 /nfs/dbraw/zinc/48/55/83/1419485583.db2.gz UIHSNYVBFYNQMD-APWZRJJASA-N 2 1 349.494 3.055 20 0 EGADMP CCc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001714754075 1419494971 /nfs/dbraw/zinc/49/49/71/1419494971.db2.gz XWPCJJSXAOLYHC-KRWDZBQOSA-N 2 1 347.547 3.163 20 0 EGADMP CN(C(=O)CCC[NH+]1CCCC1)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001715029255 1419761929 /nfs/dbraw/zinc/76/19/29/1419761929.db2.gz FVYJQJHJVSOTIS-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001715191555 1419923638 /nfs/dbraw/zinc/92/36/38/1419923638.db2.gz SXVYJQVSXTYITH-IHPCNDPISA-N 2 1 345.531 3.415 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001715213005 1419945173 /nfs/dbraw/zinc/94/51/73/1419945173.db2.gz TYSDZNYNRBRCJT-QFBILLFUSA-N 2 1 346.519 3.139 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCCC1 ZINC001715237995 1419968340 /nfs/dbraw/zinc/96/83/40/1419968340.db2.gz DAGKCMFMKNZLIM-IEBWSBKVSA-N 2 1 337.552 3.029 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+][C@H](C)c1ccccc1 ZINC001715238545 1419968548 /nfs/dbraw/zinc/96/85/48/1419968548.db2.gz ZQWIFULQNLHWAH-UYAOXDASSA-N 2 1 345.531 3.450 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2C)C1 ZINC001715457575 1420138707 /nfs/dbraw/zinc/13/87/07/1420138707.db2.gz HMSARKUCTRQFQB-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[N@@H+](C)CCC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001715496998 1420178250 /nfs/dbraw/zinc/17/82/50/1420178250.db2.gz CKUMNZXOOMTRCA-UHFFFAOYSA-N 2 1 345.531 3.332 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001715950151 1420417294 /nfs/dbraw/zinc/41/72/94/1420417294.db2.gz QHNMDERDARCXKV-IAGOWNOFSA-N 2 1 333.520 3.128 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001715998941 1420452520 /nfs/dbraw/zinc/45/25/20/1420452520.db2.gz AHZHMCWTSHRGEZ-AWEZNQCLSA-N 2 1 347.547 3.165 20 0 EGADMP CN(CC[N@H+](C)CCC1CCCC1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001716026754 1420483888 /nfs/dbraw/zinc/48/38/88/1420483888.db2.gz WPILOYKDVFSOMW-FQEVSTJZSA-N 2 1 345.531 3.260 20 0 EGADMP CN(CC[N@@H+](C)CCC1CCCC1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001716026754 1420483890 /nfs/dbraw/zinc/48/38/90/1420483890.db2.gz WPILOYKDVFSOMW-FQEVSTJZSA-N 2 1 345.531 3.260 20 0 EGADMP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)Cc1ccccc1 ZINC001716709408 1420862804 /nfs/dbraw/zinc/86/28/04/1420862804.db2.gz VGIFOSXYAXIHPB-IHWFROFDSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001716709408 1420862805 /nfs/dbraw/zinc/86/28/05/1420862805.db2.gz VGIFOSXYAXIHPB-IHWFROFDSA-N 2 1 343.515 3.029 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@]2(C)CC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001716849160 1420977812 /nfs/dbraw/zinc/97/78/12/1420977812.db2.gz RUENXVZZZPCQEI-OAQYLSRUSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1 ZINC001716864180 1420993424 /nfs/dbraw/zinc/99/34/24/1420993424.db2.gz BUNLYVHWHMCJHU-UWJYYQICSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1 ZINC001716864178 1420993663 /nfs/dbraw/zinc/99/36/63/1420993663.db2.gz BUNLYVHWHMCJHU-LAUBAEHRSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2(C)CC[NH+](CC3CCC3)CC2)C1 ZINC001716887174 1421010711 /nfs/dbraw/zinc/01/07/11/1421010711.db2.gz CXQRRHWRZDKWEE-IBGZPJMESA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](CC[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001717106481 1421112385 /nfs/dbraw/zinc/11/23/85/1421112385.db2.gz AROUOZASQGCMPS-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCC1 ZINC001717153035 1421143438 /nfs/dbraw/zinc/14/34/38/1421143438.db2.gz MAVRXTYJMPQCCV-IBGZPJMESA-N 2 1 349.563 3.316 20 0 EGADMP CC1CC(C[N@@H+](C)CCCN(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001717207669 1421178814 /nfs/dbraw/zinc/17/88/14/1421178814.db2.gz KPPSEGIIBYEZLE-AFMYVXGZSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CC(C[NH+](C)CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001717207669 1421178816 /nfs/dbraw/zinc/17/88/16/1421178816.db2.gz KPPSEGIIBYEZLE-AFMYVXGZSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CC(C[NH+](C)CCCN(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001717207669 1421178819 /nfs/dbraw/zinc/17/88/19/1421178819.db2.gz KPPSEGIIBYEZLE-AFMYVXGZSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)CC1(C)C)[NH+](C)C ZINC001717312424 1421257712 /nfs/dbraw/zinc/25/77/12/1421257712.db2.gz UPVZUPJWNDEDJY-MOPGFXCFSA-N 2 1 349.563 3.434 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001717366381 1421301864 /nfs/dbraw/zinc/30/18/64/1421301864.db2.gz ZDQPTMXVXWZQGG-MRXNPFEDSA-N 2 1 337.533 3.146 20 0 EGADMP Cc1cccc([C@@H](C)[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001717487702 1421424523 /nfs/dbraw/zinc/42/45/23/1421424523.db2.gz LDHNZQAQGGWVDA-ZWKOTPCHSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001717487702 1421424525 /nfs/dbraw/zinc/42/45/25/1421424525.db2.gz LDHNZQAQGGWVDA-ZWKOTPCHSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001717487702 1421424528 /nfs/dbraw/zinc/42/45/28/1421424528.db2.gz LDHNZQAQGGWVDA-ZWKOTPCHSA-N 2 1 347.547 3.470 20 0 EGADMP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)[C@H](C)c1ccccc1F ZINC001717493244 1421432160 /nfs/dbraw/zinc/43/21/60/1421432160.db2.gz TYVKRFWQBNPMKG-IAGOWNOFSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@@H]1CCCc2ccccc21 ZINC001717494615 1421434693 /nfs/dbraw/zinc/43/46/93/1421434693.db2.gz KRYYDFXAPNZAMP-FXAWDEMLSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC001717494615 1421434695 /nfs/dbraw/zinc/43/46/95/1421434695.db2.gz KRYYDFXAPNZAMP-FXAWDEMLSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC001717494615 1421434697 /nfs/dbraw/zinc/43/46/97/1421434697.db2.gz KRYYDFXAPNZAMP-FXAWDEMLSA-N 2 1 345.531 3.232 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC001717747733 1421610099 /nfs/dbraw/zinc/61/00/99/1421610099.db2.gz RXKBEZHZHFTPFC-DLBZAZTESA-N 2 1 342.487 3.169 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001733410990 1429611155 /nfs/dbraw/zinc/61/11/55/1429611155.db2.gz HBGDKDGJVKCABK-UZLBHIALSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001733410990 1429611156 /nfs/dbraw/zinc/61/11/56/1429611156.db2.gz HBGDKDGJVKCABK-UZLBHIALSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001733410990 1429611157 /nfs/dbraw/zinc/61/11/57/1429611157.db2.gz HBGDKDGJVKCABK-UZLBHIALSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1(C)CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001724022398 1424631904 /nfs/dbraw/zinc/63/19/04/1424631904.db2.gz JRQMQDNHNGASQZ-SFHVURJKSA-N 2 1 345.531 3.369 20 0 EGADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2C1)[NH+](CC)CC ZINC001724628813 1424984269 /nfs/dbraw/zinc/98/42/69/1424984269.db2.gz RCFSACUTMNAWDM-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001724841394 1425190474 /nfs/dbraw/zinc/19/04/74/1425190474.db2.gz DUNIGHKPZSEKDV-HXUWFJFHSA-N 2 1 349.563 3.413 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1ccccc1C ZINC001724850995 1425213762 /nfs/dbraw/zinc/21/37/62/1425213762.db2.gz JGANBBGGYCWJON-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)Cc1ccccc1C ZINC001724850995 1425213764 /nfs/dbraw/zinc/21/37/64/1425213764.db2.gz JGANBBGGYCWJON-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1C ZINC001724850995 1425213765 /nfs/dbraw/zinc/21/37/65/1425213765.db2.gz JGANBBGGYCWJON-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH+](C)[C@H](C)c1ccccc1 ZINC001724853030 1425219650 /nfs/dbraw/zinc/21/96/50/1425219650.db2.gz SMYQGRCPOKFABY-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CCC[N@H+](C)[C@H](C)c1ccccc1 ZINC001724853030 1425219655 /nfs/dbraw/zinc/21/96/55/1425219655.db2.gz SMYQGRCPOKFABY-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)[C@H](C)c1ccccc1 ZINC001724853030 1425219658 /nfs/dbraw/zinc/21/96/58/1425219658.db2.gz SMYQGRCPOKFABY-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001724868830 1425251907 /nfs/dbraw/zinc/25/19/07/1425251907.db2.gz RECNNRXRODJSTE-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC001725151550 1425636559 /nfs/dbraw/zinc/63/65/59/1425636559.db2.gz VWLDNQJYGZJZSE-QZTJIDSGSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)[C@H](C)c1ccccc1 ZINC001725196798 1425751556 /nfs/dbraw/zinc/75/15/56/1425751556.db2.gz SGAGUSSJCFALJT-QZTJIDSGSA-N 2 1 331.504 3.060 20 0 EGADMP CCCc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001725588940 1426245075 /nfs/dbraw/zinc/24/50/75/1426245075.db2.gz QZDJQGPHMNOSDL-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)cc1C ZINC001725612733 1426273903 /nfs/dbraw/zinc/27/39/03/1426273903.db2.gz ACCWCKFCCSASAB-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCC[N@H+]2CCCC2CCCC2)CC1 ZINC001731539952 1427544365 /nfs/dbraw/zinc/54/43/65/1427544365.db2.gz XTFWQRWDBDPMTB-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1CC ZINC001731542118 1427552231 /nfs/dbraw/zinc/55/22/31/1427552231.db2.gz LDHGLFKCOMWBOL-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1CC ZINC001731542118 1427552238 /nfs/dbraw/zinc/55/22/38/1427552238.db2.gz LDHGLFKCOMWBOL-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1CC ZINC001731542118 1427552241 /nfs/dbraw/zinc/55/22/41/1427552241.db2.gz LDHGLFKCOMWBOL-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001731785138 1427914854 /nfs/dbraw/zinc/91/48/54/1427914854.db2.gz DBFYSCBEPYBVST-IBGZPJMESA-N 2 1 349.494 3.057 20 0 EGADMP O=C(NCC1([NH2+]CC2CCC2)CCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001733722086 1429944078 /nfs/dbraw/zinc/94/40/78/1429944078.db2.gz OFMGHHCCVRUQKG-LJQANCHMSA-N 2 1 347.547 3.212 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001733769846 1429998708 /nfs/dbraw/zinc/99/87/08/1429998708.db2.gz QHXUDLNJWPQPIN-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001733769846 1429998709 /nfs/dbraw/zinc/99/87/09/1429998709.db2.gz QHXUDLNJWPQPIN-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001733769846 1429998713 /nfs/dbraw/zinc/99/87/13/1429998713.db2.gz QHXUDLNJWPQPIN-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP C[N@@H+](CC(=O)N1CCC2(CC1)CC[NH+](CC1CC1)CC2)CC(C)(C)C ZINC001733911109 1437729203 /nfs/dbraw/zinc/72/92/03/1437729203.db2.gz JHGUQTIUPRMYFN-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC001734012635 1437804053 /nfs/dbraw/zinc/80/40/53/1437804053.db2.gz AFUJQWFTZBPDMN-UHFFFAOYSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)[C@@H]1C ZINC001734404425 1438083967 /nfs/dbraw/zinc/08/39/67/1438083967.db2.gz KAJLLCIWFLWATO-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP C[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)CC1=CCCCC1 ZINC001751974828 1440130041 /nfs/dbraw/zinc/13/00/41/1440130041.db2.gz GTXDXHZYGDZEBW-UHFFFAOYSA-N 2 1 335.536 3.189 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001752155419 1440146975 /nfs/dbraw/zinc/14/69/75/1440146975.db2.gz GQZPVMLPLJYNGR-VQIMIIECSA-N 2 1 349.494 3.025 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001752190041 1440152372 /nfs/dbraw/zinc/15/23/72/1440152372.db2.gz UHWGFILNOCVHCN-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001752190041 1440152373 /nfs/dbraw/zinc/15/23/73/1440152373.db2.gz UHWGFILNOCVHCN-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001752190041 1440152374 /nfs/dbraw/zinc/15/23/74/1440152374.db2.gz UHWGFILNOCVHCN-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001752391889 1440173507 /nfs/dbraw/zinc/17/35/07/1440173507.db2.gz XOCHPNHXFOOIFN-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001752391889 1440173508 /nfs/dbraw/zinc/17/35/08/1440173508.db2.gz XOCHPNHXFOOIFN-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001752391889 1440173511 /nfs/dbraw/zinc/17/35/11/1440173511.db2.gz XOCHPNHXFOOIFN-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)CCC[NH+]3CCCCC3)C2)cs1 ZINC001752409895 1440174463 /nfs/dbraw/zinc/17/44/63/1440174463.db2.gz KHACHGCDDQDUEY-GOSISDBHSA-N 2 1 349.544 3.013 20 0 EGADMP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001752654853 1440198295 /nfs/dbraw/zinc/19/82/95/1440198295.db2.gz DYDJXLUMLRSFOF-DWRORGKVSA-N 2 1 335.536 3.066 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001752679674 1440199396 /nfs/dbraw/zinc/19/93/96/1440199396.db2.gz CISVSKRFRVLGGB-IYARVYRRSA-N 2 1 337.552 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCC(C)C)C1 ZINC001752814310 1440217630 /nfs/dbraw/zinc/21/76/30/1440217630.db2.gz GMBYLUYQFLJMSQ-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC001752819164 1440219556 /nfs/dbraw/zinc/21/95/56/1440219556.db2.gz PZUBRDSITHMPIQ-DLBZAZTESA-N 2 1 334.508 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC001752819164 1440219557 /nfs/dbraw/zinc/21/95/57/1440219557.db2.gz PZUBRDSITHMPIQ-DLBZAZTESA-N 2 1 334.508 3.023 20 0 EGADMP CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001752823468 1440222167 /nfs/dbraw/zinc/22/21/67/1440222167.db2.gz CFRDZIBSJNHBKL-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001752823468 1440222168 /nfs/dbraw/zinc/22/21/68/1440222168.db2.gz CFRDZIBSJNHBKL-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001752823468 1440222169 /nfs/dbraw/zinc/22/21/69/1440222169.db2.gz CFRDZIBSJNHBKL-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001752823468 1440222170 /nfs/dbraw/zinc/22/21/70/1440222170.db2.gz CFRDZIBSJNHBKL-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001752832530 1440226030 /nfs/dbraw/zinc/22/60/30/1440226030.db2.gz XSGIEBCJCRMPKD-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001752836792 1440228214 /nfs/dbraw/zinc/22/82/14/1440228214.db2.gz PVDHZKDYKQIPKY-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001752962385 1440253450 /nfs/dbraw/zinc/25/34/50/1440253450.db2.gz DJWDBONRKOCAOA-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001752991759 1440259667 /nfs/dbraw/zinc/25/96/67/1440259667.db2.gz XSLBHCMZZFFIQF-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001752991759 1440259668 /nfs/dbraw/zinc/25/96/68/1440259668.db2.gz XSLBHCMZZFFIQF-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001752991759 1440259669 /nfs/dbraw/zinc/25/96/69/1440259669.db2.gz XSLBHCMZZFFIQF-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCC2CCC2)C1 ZINC001752992991 1440260306 /nfs/dbraw/zinc/26/03/06/1440260306.db2.gz YAIGZAJTACNNIA-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCCC2CCC2)C1 ZINC001752992991 1440260307 /nfs/dbraw/zinc/26/03/07/1440260307.db2.gz YAIGZAJTACNNIA-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001752992991 1440260308 /nfs/dbraw/zinc/26/03/08/1440260308.db2.gz YAIGZAJTACNNIA-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001752994354 1440261326 /nfs/dbraw/zinc/26/13/26/1440261326.db2.gz AINXYYDQOOHJSP-GOSISDBHSA-N 2 1 337.552 3.364 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001752995231 1440261694 /nfs/dbraw/zinc/26/16/94/1440261694.db2.gz QRBAQZUIMQGORI-HBCQFFLPSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001752995231 1440261695 /nfs/dbraw/zinc/26/16/95/1440261695.db2.gz QRBAQZUIMQGORI-HBCQFFLPSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001752995231 1440261696 /nfs/dbraw/zinc/26/16/96/1440261696.db2.gz QRBAQZUIMQGORI-HBCQFFLPSA-N 2 1 349.563 3.386 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001752996885 1440262585 /nfs/dbraw/zinc/26/25/85/1440262585.db2.gz QHJKKDGGAGVUPU-PKOBYXMFSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001752998858 1440263429 /nfs/dbraw/zinc/26/34/29/1440263429.db2.gz OAMULJFIKKZESL-RBUKOAKNSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001752998858 1440263430 /nfs/dbraw/zinc/26/34/30/1440263430.db2.gz OAMULJFIKKZESL-RBUKOAKNSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001752998858 1440263431 /nfs/dbraw/zinc/26/34/31/1440263431.db2.gz OAMULJFIKKZESL-RBUKOAKNSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001753035211 1440274249 /nfs/dbraw/zinc/27/42/49/1440274249.db2.gz ASZXXPWUJBRQKD-GOSISDBHSA-N 2 1 346.519 3.334 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001753035211 1440274250 /nfs/dbraw/zinc/27/42/50/1440274250.db2.gz ASZXXPWUJBRQKD-GOSISDBHSA-N 2 1 346.519 3.334 20 0 EGADMP CC1CC(C[N@H+]2CCC[C@H]2CCCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001753036273 1440274815 /nfs/dbraw/zinc/27/48/15/1440274815.db2.gz VCKAFCJDHAUUKY-LYBXBRPPSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001753049407 1440278817 /nfs/dbraw/zinc/27/88/17/1440278817.db2.gz BCNUUWHWDACOSN-INIZCTEOSA-N 2 1 349.494 3.199 20 0 EGADMP CC1CC(C[N@H+]2CC[C@H](CNC(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001753131302 1440316822 /nfs/dbraw/zinc/31/68/22/1440316822.db2.gz RHNXAPIKHVDQHX-JLAWEPINSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CC(C[NH+]2CC[C@H](CNC(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001753131302 1440316823 /nfs/dbraw/zinc/31/68/23/1440316823.db2.gz RHNXAPIKHVDQHX-JLAWEPINSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CC(C[NH+]2CC[C@H](CNC(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001753131302 1440316824 /nfs/dbraw/zinc/31/68/24/1440316824.db2.gz RHNXAPIKHVDQHX-JLAWEPINSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NC[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001753141033 1440321166 /nfs/dbraw/zinc/32/11/66/1440321166.db2.gz TYJZUGIECISTPB-HXUWFJFHSA-N 2 1 349.563 3.271 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CCC1CCCC1 ZINC001753148957 1440326630 /nfs/dbraw/zinc/32/66/30/1440326630.db2.gz SSHHOQGGDAWMPA-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)CCC1CCCC1 ZINC001753148957 1440326631 /nfs/dbraw/zinc/32/66/31/1440326631.db2.gz SSHHOQGGDAWMPA-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)CCC1CCCC1 ZINC001753148957 1440326632 /nfs/dbraw/zinc/32/66/32/1440326632.db2.gz SSHHOQGGDAWMPA-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC1CC2(CCC2)C1 ZINC001753149658 1440327137 /nfs/dbraw/zinc/32/71/37/1440327137.db2.gz KDJPSEKSNJVRHY-ROUUACIJSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001753155148 1440330487 /nfs/dbraw/zinc/33/04/87/1440330487.db2.gz CKTMDCHOYKJFLP-FXAWDEMLSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001753155148 1440330488 /nfs/dbraw/zinc/33/04/88/1440330488.db2.gz CKTMDCHOYKJFLP-FXAWDEMLSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001753155148 1440330489 /nfs/dbraw/zinc/33/04/89/1440330489.db2.gz CKTMDCHOYKJFLP-FXAWDEMLSA-N 2 1 343.515 3.121 20 0 EGADMP CN(CC[NH2+]CC1CCCC1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001753222649 1440340248 /nfs/dbraw/zinc/34/02/48/1440340248.db2.gz IVKACTOKCTVDBR-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CC1=CCCCC1 ZINC001753288501 1440349645 /nfs/dbraw/zinc/34/96/45/1440349645.db2.gz RRQJCECXSZWLFV-UHFFFAOYSA-N 2 1 347.547 3.332 20 0 EGADMP CCC(CC)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001753300735 1440353821 /nfs/dbraw/zinc/35/38/21/1440353821.db2.gz ZJOBSWXSPBODAG-VQTJNVASSA-N 2 1 345.531 3.354 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001753337135 1440372913 /nfs/dbraw/zinc/37/29/13/1440372913.db2.gz HOXGQBNVXHWPOT-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001753341122 1440375406 /nfs/dbraw/zinc/37/54/06/1440375406.db2.gz RCHXZNBVIZHNNP-DLBZAZTESA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001753341122 1440375407 /nfs/dbraw/zinc/37/54/07/1440375407.db2.gz RCHXZNBVIZHNNP-DLBZAZTESA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001753341122 1440375408 /nfs/dbraw/zinc/37/54/08/1440375408.db2.gz RCHXZNBVIZHNNP-DLBZAZTESA-N 2 1 349.494 3.055 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001753341230 1440375471 /nfs/dbraw/zinc/37/54/71/1440375471.db2.gz UBCBZXGTGNHTOX-AZUAARDMSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001753341230 1440375472 /nfs/dbraw/zinc/37/54/72/1440375472.db2.gz UBCBZXGTGNHTOX-AZUAARDMSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001753341230 1440375473 /nfs/dbraw/zinc/37/54/73/1440375473.db2.gz UBCBZXGTGNHTOX-AZUAARDMSA-N 2 1 345.531 3.306 20 0 EGADMP C[N@@H+](CCC1=CCCCC1)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001753367445 1440386061 /nfs/dbraw/zinc/38/60/61/1440386061.db2.gz KCTSKLDLHHKTCN-UHFFFAOYSA-N 2 1 347.547 3.143 20 0 EGADMP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC1C[NH+](CCCC(C)(C)C)C1 ZINC001753381116 1440387717 /nfs/dbraw/zinc/38/77/17/1440387717.db2.gz SLSDOKAIEPJQSV-UHFFFAOYSA-N 2 1 337.552 3.266 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NC1C[NH+](CCCC(C)(C)C)C1 ZINC001753381116 1440387718 /nfs/dbraw/zinc/38/77/18/1440387718.db2.gz SLSDOKAIEPJQSV-UHFFFAOYSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001753444546 1440403136 /nfs/dbraw/zinc/40/31/36/1440403136.db2.gz SWJBCAOAYKQYGM-MJGOQNOKSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001753444546 1440403137 /nfs/dbraw/zinc/40/31/37/1440403137.db2.gz SWJBCAOAYKQYGM-MJGOQNOKSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001753444546 1440403138 /nfs/dbraw/zinc/40/31/38/1440403138.db2.gz SWJBCAOAYKQYGM-MJGOQNOKSA-N 2 1 345.531 3.258 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001753449825 1440405398 /nfs/dbraw/zinc/40/53/98/1440405398.db2.gz KBEHWIAMZDRJDG-ZMBJWTFHSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001753449821 1440405558 /nfs/dbraw/zinc/40/55/58/1440405558.db2.gz KBEHWIAMZDRJDG-UEKDZROGSA-N 2 1 335.536 3.142 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+][C@@H](C)c2ccccc2)C1 ZINC001753559777 1440436738 /nfs/dbraw/zinc/43/67/38/1440436738.db2.gz NOWWMSJXGDAXMN-OALUTQOASA-N 2 1 345.531 3.308 20 0 EGADMP C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001753709517 1440470165 /nfs/dbraw/zinc/47/01/65/1440470165.db2.gz ZXRGDGSNBYJSGK-LNLFQRSKSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[C@@H](C[NH2+]CC1CCCC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001753738484 1440478502 /nfs/dbraw/zinc/47/85/02/1440478502.db2.gz JXAXVFPEBRYRAO-WDSOQIARSA-N 2 1 337.552 3.027 20 0 EGADMP CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C1CCCCC1 ZINC001753749617 1440482208 /nfs/dbraw/zinc/48/22/08/1440482208.db2.gz MWRJIOAXCLEMCM-RTBURBONSA-N 2 1 337.552 3.316 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+][C@H](C)c1ccccc1 ZINC001753788468 1440488595 /nfs/dbraw/zinc/48/85/95/1440488595.db2.gz PRENIWVAEDBVJX-QUCCMNQESA-N 2 1 345.531 3.450 20 0 EGADMP CCCCC[N@@H+](C)CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001753821245 1440496170 /nfs/dbraw/zinc/49/61/70/1440496170.db2.gz VRAWJPJWGAQNEE-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP Cc1ccccc1C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001753830353 1440499467 /nfs/dbraw/zinc/49/94/67/1440499467.db2.gz VCERZFVZPZGYKL-WOJBJXKFSA-N 2 1 345.531 3.098 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1cccc(C)c1)C(C)C ZINC001753831671 1440499906 /nfs/dbraw/zinc/49/99/06/1440499906.db2.gz YJNZIJOZWXPWMZ-WOJBJXKFSA-N 2 1 345.531 3.100 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C(C)C ZINC001753836039 1440500941 /nfs/dbraw/zinc/50/09/41/1440500941.db2.gz WOBUVFVDQBJYFE-QZTJIDSGSA-N 2 1 339.568 3.273 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1ccccc1F)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001754044992 1440535023 /nfs/dbraw/zinc/53/50/23/1440535023.db2.gz AFPSNBRUCACPNA-LPHOPBHVSA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001754324033 1440579412 /nfs/dbraw/zinc/57/94/12/1440579412.db2.gz XRQIPKHTDOTVDM-BEFAXECRSA-N 2 1 349.494 3.055 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)C[NH+](C)CC=C(C)C)c1ccccc1 ZINC001754330393 1440583370 /nfs/dbraw/zinc/58/33/70/1440583370.db2.gz KWTPOKJIHKTRCU-HKUYNNGSSA-N 2 1 331.504 3.082 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC=C(C)C)c1ccccc1 ZINC001754330393 1440583371 /nfs/dbraw/zinc/58/33/71/1440583371.db2.gz KWTPOKJIHKTRCU-HKUYNNGSSA-N 2 1 331.504 3.082 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC=C(C)C)c1ccccc1 ZINC001754330393 1440583372 /nfs/dbraw/zinc/58/33/72/1440583372.db2.gz KWTPOKJIHKTRCU-HKUYNNGSSA-N 2 1 331.504 3.082 20 0 EGADMP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)cs1 ZINC001754379830 1440593157 /nfs/dbraw/zinc/59/31/57/1440593157.db2.gz GWZUZAVTNYLSKD-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001754452637 1440601493 /nfs/dbraw/zinc/60/14/93/1440601493.db2.gz HAWCQOOUQKLIRC-RBUKOAKNSA-N 2 1 349.563 3.170 20 0 EGADMP CCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C ZINC001754540251 1440625987 /nfs/dbraw/zinc/62/59/87/1440625987.db2.gz SABDHEYWINKYOG-IPQPSQTFSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001754544964 1440626988 /nfs/dbraw/zinc/62/69/88/1440626988.db2.gz PKYSSIBWKLSACK-YGFFAISXSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CC3CCCCC3)C2)CC[N@H+]1C ZINC001754694939 1440666865 /nfs/dbraw/zinc/66/68/65/1440666865.db2.gz IUGMCBWBUZHWMT-QKNQBKEWSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001754733552 1440681146 /nfs/dbraw/zinc/68/11/46/1440681146.db2.gz MZQBFLRNHMDPMW-FPOVZHCZSA-N 2 1 345.531 3.308 20 0 EGADMP CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001754733552 1440681147 /nfs/dbraw/zinc/68/11/47/1440681147.db2.gz MZQBFLRNHMDPMW-FPOVZHCZSA-N 2 1 345.531 3.308 20 0 EGADMP CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001754733552 1440681148 /nfs/dbraw/zinc/68/11/48/1440681148.db2.gz MZQBFLRNHMDPMW-FPOVZHCZSA-N 2 1 345.531 3.308 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCC1CCCC1 ZINC001754869858 1440704569 /nfs/dbraw/zinc/70/45/69/1440704569.db2.gz QTCJWQWZQJCXII-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC1CCCC1 ZINC001754869858 1440704570 /nfs/dbraw/zinc/70/45/70/1440704570.db2.gz QTCJWQWZQJCXII-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC1CCCC1 ZINC001754869858 1440704571 /nfs/dbraw/zinc/70/45/71/1440704571.db2.gz QTCJWQWZQJCXII-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](CC[NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001754940846 1440711854 /nfs/dbraw/zinc/71/18/54/1440711854.db2.gz XVKAZKWDPJIBKK-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CCCCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCC1 ZINC001754982643 1440721678 /nfs/dbraw/zinc/72/16/78/1440721678.db2.gz LURNJLQUUMAHOZ-ROUUACIJSA-N 2 1 335.536 3.212 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC(C)([NH2+]CC2CCC2)CC1)C1CCCCC1 ZINC001755132307 1440757373 /nfs/dbraw/zinc/75/73/73/1440757373.db2.gz VSQHQMGCJJOPEF-UHFFFAOYSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001755170528 1440768564 /nfs/dbraw/zinc/76/85/64/1440768564.db2.gz ZEHCAVJNIHWBNR-GNBUJSLZSA-N 2 1 345.531 3.271 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC001755200553 1440779404 /nfs/dbraw/zinc/77/94/04/1440779404.db2.gz IMTPCWPLKKFVKM-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCC1 ZINC001755200553 1440779405 /nfs/dbraw/zinc/77/94/05/1440779405.db2.gz IMTPCWPLKKFVKM-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCC1 ZINC001755200553 1440779406 /nfs/dbraw/zinc/77/94/06/1440779406.db2.gz IMTPCWPLKKFVKM-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001755204038 1440781519 /nfs/dbraw/zinc/78/15/19/1440781519.db2.gz FXOLHKDAAIADMD-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001755204038 1440781520 /nfs/dbraw/zinc/78/15/20/1440781520.db2.gz FXOLHKDAAIADMD-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001755204038 1440781521 /nfs/dbraw/zinc/78/15/21/1440781521.db2.gz FXOLHKDAAIADMD-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH2+]C1CCC(N(C)C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001755276570 1440799221 /nfs/dbraw/zinc/79/92/21/1440799221.db2.gz NGCPTXXCTBXRPV-GRERDSQWSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001755278697 1440799863 /nfs/dbraw/zinc/79/98/63/1440799863.db2.gz NGVHCPUMAOEPIM-SOAGJPPSSA-N 2 1 345.531 3.305 20 0 EGADMP CC/C=C/CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001755281574 1440800753 /nfs/dbraw/zinc/80/07/53/1440800753.db2.gz OMDQQWYDTOXHML-FNYRVFDFSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CC2(CCC2)C1 ZINC001755306976 1440811425 /nfs/dbraw/zinc/81/14/25/1440811425.db2.gz WGNDBEXJCSKJCD-IEBWSBKVSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CC2(CCC2)C1 ZINC001755306976 1440811426 /nfs/dbraw/zinc/81/14/26/1440811426.db2.gz WGNDBEXJCSKJCD-IEBWSBKVSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001755306976 1440811427 /nfs/dbraw/zinc/81/14/27/1440811427.db2.gz WGNDBEXJCSKJCD-IEBWSBKVSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](C)CCCC(C)C)CC1 ZINC001755530562 1440867212 /nfs/dbraw/zinc/86/72/12/1440867212.db2.gz IMIRQIXMUCERFR-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CCCC(C)C)CC1 ZINC001755530562 1440867213 /nfs/dbraw/zinc/86/72/13/1440867213.db2.gz IMIRQIXMUCERFR-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CCCC(C)C)CC1 ZINC001755530562 1440867214 /nfs/dbraw/zinc/86/72/14/1440867214.db2.gz IMIRQIXMUCERFR-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001755531835 1440867807 /nfs/dbraw/zinc/86/78/07/1440867807.db2.gz CLRPGTQNZAADFL-IEBWSBKVSA-N 2 1 345.531 3.136 20 0 EGADMP CCc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001755587614 1440880668 /nfs/dbraw/zinc/88/06/68/1440880668.db2.gz HQHPIHAGEWUVJD-YLJYHZDGSA-N 2 1 345.531 3.058 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001755700098 1440899617 /nfs/dbraw/zinc/89/96/17/1440899617.db2.gz CIOIJLCEEYQTLW-ICSRJNTNSA-N 2 1 335.536 3.164 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C3CCC3)CCC[C@H]12 ZINC001755700098 1440899618 /nfs/dbraw/zinc/89/96/18/1440899618.db2.gz CIOIJLCEEYQTLW-ICSRJNTNSA-N 2 1 335.536 3.164 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@H]12 ZINC001755700098 1440899619 /nfs/dbraw/zinc/89/96/19/1440899619.db2.gz CIOIJLCEEYQTLW-ICSRJNTNSA-N 2 1 335.536 3.164 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCCCC3)[C@@H]2C1 ZINC001755707941 1440902959 /nfs/dbraw/zinc/90/29/59/1440902959.db2.gz KNTCNLGEZWIQNC-XUVXKRRUSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC3CCCC3)[C@H]2C1 ZINC001755712180 1440904003 /nfs/dbraw/zinc/90/40/03/1440904003.db2.gz KWWOQPZXTNTPRR-UFYCRDLUSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)c1 ZINC001755720118 1440907102 /nfs/dbraw/zinc/90/71/02/1440907102.db2.gz CPYFDQMPYPJXGG-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)[C@@H]1C ZINC001755722256 1440908032 /nfs/dbraw/zinc/90/80/32/1440908032.db2.gz HEUMSDAVQLYRJT-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)[C@@H]1C ZINC001755722256 1440908033 /nfs/dbraw/zinc/90/80/33/1440908033.db2.gz HEUMSDAVQLYRJT-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)[C@@H]1C ZINC001755722256 1440908034 /nfs/dbraw/zinc/90/80/34/1440908034.db2.gz HEUMSDAVQLYRJT-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001755722980 1440908128 /nfs/dbraw/zinc/90/81/28/1440908128.db2.gz UGTZMFWXVOZYTO-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC1(C)C ZINC001755764574 1440915810 /nfs/dbraw/zinc/91/58/10/1440915810.db2.gz VLBOXMZBWHHZJX-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000268787564 282209440 /nfs/dbraw/zinc/20/94/40/282209440.db2.gz FDPUDZRPQNQHHE-OAHLLOKOSA-N 2 1 325.334 3.367 20 0 EGADMP COc1cccc2c(NCC3([NH+](C)C)CCOCC3)cc(C)[nH+]c12 ZINC000126114963 222655666 /nfs/dbraw/zinc/65/56/66/222655666.db2.gz NOSWLSUDSLPNGS-UHFFFAOYSA-N 2 1 329.444 3.075 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000030907238 202200522 /nfs/dbraw/zinc/20/05/22/202200522.db2.gz SMOASFUUSSKSLE-MRXNPFEDSA-N 2 1 342.462 3.202 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)CC[N@H+]1C ZINC000177917707 291145762 /nfs/dbraw/zinc/14/57/62/291145762.db2.gz SPJLEVANDMGAON-MAUKXSAKSA-N 2 1 336.907 3.461 20 0 EGADMP C[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000261601922 201194490 /nfs/dbraw/zinc/19/44/90/201194490.db2.gz BNUKIIKWAAQROG-LPHOPBHVSA-N 2 1 331.504 3.093 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(Cl)ccc2Br)CC1 ZINC000271791332 201246544 /nfs/dbraw/zinc/24/65/44/201246544.db2.gz GRRPYUGFLDINCQ-UHFFFAOYSA-N 2 1 329.669 3.454 20 0 EGADMP C[C@@H](CC[NH2+][C@@H]1CCCc2c1cnn2C)[N@H+](C)Cc1ccccc1 ZINC000156230024 201399708 /nfs/dbraw/zinc/39/97/08/201399708.db2.gz LAQOYHFUVDRSCS-QFBILLFUSA-N 2 1 326.488 3.298 20 0 EGADMP C[C@@H](CC[NH2+][C@@H]1CCCc2c1cnn2C)[N@@H+](C)Cc1ccccc1 ZINC000156230024 201399711 /nfs/dbraw/zinc/39/97/11/201399711.db2.gz LAQOYHFUVDRSCS-QFBILLFUSA-N 2 1 326.488 3.298 20 0 EGADMP Clc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000071819571 203118125 /nfs/dbraw/zinc/11/81/25/203118125.db2.gz XARZWEGMOTVDRQ-ZDUSSCGKSA-N 2 1 330.863 3.304 20 0 EGADMP CCCOc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000105443151 204145267 /nfs/dbraw/zinc/14/52/67/204145267.db2.gz CPVAHKLJAQAIFT-OAHLLOKOSA-N 2 1 331.460 3.415 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000111386927 204355717 /nfs/dbraw/zinc/35/57/17/204355717.db2.gz HBLHUHRDHCNJPG-GOSISDBHSA-N 2 1 328.456 3.273 20 0 EGADMP CSc1ccc(NC(=O)[C@H](C)[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130470554 205242544 /nfs/dbraw/zinc/24/25/44/205242544.db2.gz UOEHOQOOXRNXRE-AWEZNQCLSA-N 2 1 346.500 3.263 20 0 EGADMP CSc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130470554 205242549 /nfs/dbraw/zinc/24/25/49/205242549.db2.gz UOEHOQOOXRNXRE-AWEZNQCLSA-N 2 1 346.500 3.263 20 0 EGADMP Cc1n[nH]c(C)c1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000130906487 205264827 /nfs/dbraw/zinc/26/48/27/205264827.db2.gz VPAZFNYFLGIPFZ-UHFFFAOYSA-N 2 1 326.488 3.371 20 0 EGADMP c1ccc2c(c1)SCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132848740 205345813 /nfs/dbraw/zinc/34/58/13/205345813.db2.gz NXSOGFBCXMUWDD-YJBOKZPZSA-N 2 1 332.513 3.314 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)CCSc3ccccc3)C2)CC1 ZINC000155683906 206027979 /nfs/dbraw/zinc/02/79/79/206027979.db2.gz YCPWHHAPVYXAEE-OALUTQOASA-N 2 1 347.572 3.269 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000158179058 206178237 /nfs/dbraw/zinc/17/82/37/206178237.db2.gz SUUJOKQMAXMTCY-STZQEDGTSA-N 2 1 338.495 3.233 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000158179058 206178241 /nfs/dbraw/zinc/17/82/41/206178241.db2.gz SUUJOKQMAXMTCY-STZQEDGTSA-N 2 1 338.495 3.233 20 0 EGADMP CCc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)s1 ZINC000158536265 206197385 /nfs/dbraw/zinc/19/73/85/206197385.db2.gz LCFMHLUNJXDPSO-HNNXBMFYSA-N 2 1 344.528 3.308 20 0 EGADMP C[C@@H](CCn1cccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000158934433 206217014 /nfs/dbraw/zinc/21/70/14/206217014.db2.gz FMSDZHJUOBYVNG-NSHGMRRFSA-N 2 1 326.488 3.304 20 0 EGADMP C[C@@H](CCn1cccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000158934433 206217018 /nfs/dbraw/zinc/21/70/18/206217018.db2.gz FMSDZHJUOBYVNG-NSHGMRRFSA-N 2 1 326.488 3.304 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000162300444 206395665 /nfs/dbraw/zinc/39/56/65/206395665.db2.gz VKOWEUZRPQRACN-HNNXBMFYSA-N 2 1 340.471 3.422 20 0 EGADMP C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266527956 248346308 /nfs/dbraw/zinc/34/63/08/248346308.db2.gz FABYKLONFANGGE-NQIIRXRSSA-N 2 1 342.458 3.313 20 0 EGADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266527956 248346309 /nfs/dbraw/zinc/34/63/09/248346309.db2.gz FABYKLONFANGGE-NQIIRXRSSA-N 2 1 342.458 3.313 20 0 EGADMP C[NH+](C[C@H](O)c1ccc(F)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266527956 248346311 /nfs/dbraw/zinc/34/63/11/248346311.db2.gz FABYKLONFANGGE-NQIIRXRSSA-N 2 1 342.458 3.313 20 0 EGADMP C[NH+](C[C@H](O)c1ccc(F)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266527956 248346312 /nfs/dbraw/zinc/34/63/12/248346312.db2.gz FABYKLONFANGGE-NQIIRXRSSA-N 2 1 342.458 3.313 20 0 EGADMP C[C@@H](CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C[NH+]1CCCC1 ZINC000165269129 206514277 /nfs/dbraw/zinc/51/42/77/206514277.db2.gz XKQLXKXNSWSTQM-ROUUACIJSA-N 2 1 333.520 3.010 20 0 EGADMP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000267401411 251024769 /nfs/dbraw/zinc/02/47/69/251024769.db2.gz ZWIVOBWWQUIAPP-GOSISDBHSA-N 2 1 343.515 3.384 20 0 EGADMP O=C1Nc2ccccc2C12CCC([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000119718473 284929816 /nfs/dbraw/zinc/92/98/16/284929816.db2.gz KVVQOSTXHZBHJQ-UHFFFAOYSA-N 2 1 339.483 3.036 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(SCC(F)F)cc1 ZINC000268810098 252262167 /nfs/dbraw/zinc/26/21/67/252262167.db2.gz DRRMEZKZXIJVFU-HIFRSBDPSA-N 2 1 344.471 3.151 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1)C(C)C ZINC000236992623 285097798 /nfs/dbraw/zinc/09/77/98/285097798.db2.gz OTUWDNZWNFTZNC-APWZRJJASA-N 2 1 331.504 3.259 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000269196475 255543245 /nfs/dbraw/zinc/54/32/45/255543245.db2.gz VQHHPDPWWLSZJX-APWZRJJASA-N 2 1 331.504 3.260 20 0 EGADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246570842 141016303 /nfs/dbraw/zinc/01/63/03/141016303.db2.gz LJPLLMZCDFDARJ-PXNSSMCTSA-N 2 1 328.456 3.061 20 0 EGADMP CC(=O)Oc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246570842 141016304 /nfs/dbraw/zinc/01/63/04/141016304.db2.gz LJPLLMZCDFDARJ-PXNSSMCTSA-N 2 1 328.456 3.061 20 0 EGADMP CC(=O)Oc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246570842 141016305 /nfs/dbraw/zinc/01/63/05/141016305.db2.gz LJPLLMZCDFDARJ-PXNSSMCTSA-N 2 1 328.456 3.061 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000246853469 141038430 /nfs/dbraw/zinc/03/84/30/141038430.db2.gz BPLGYLIYPAFAPQ-LNLFQRSKSA-N 2 1 335.561 3.280 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000246853469 141038432 /nfs/dbraw/zinc/03/84/32/141038432.db2.gz BPLGYLIYPAFAPQ-LNLFQRSKSA-N 2 1 335.561 3.280 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000246853469 141038435 /nfs/dbraw/zinc/03/84/35/141038435.db2.gz BPLGYLIYPAFAPQ-LNLFQRSKSA-N 2 1 335.561 3.280 20 0 EGADMP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000246882021 141041600 /nfs/dbraw/zinc/04/16/00/141041600.db2.gz DDCVDWNVFSHQJD-SFHLNBCPSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000246882021 141041601 /nfs/dbraw/zinc/04/16/01/141041601.db2.gz DDCVDWNVFSHQJD-SFHLNBCPSA-N 2 1 344.547 3.002 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000338013215 141073814 /nfs/dbraw/zinc/07/38/14/141073814.db2.gz PJLBPKDDVJJMDU-KRWDZBQOSA-N 2 1 328.416 3.415 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000338100447 141094371 /nfs/dbraw/zinc/09/43/71/141094371.db2.gz NNWOXSGVTCHCJG-WOJBJXKFSA-N 2 1 343.515 3.275 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000338100447 141094373 /nfs/dbraw/zinc/09/43/73/141094373.db2.gz NNWOXSGVTCHCJG-WOJBJXKFSA-N 2 1 343.515 3.275 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000338100447 141094375 /nfs/dbraw/zinc/09/43/75/141094375.db2.gz NNWOXSGVTCHCJG-WOJBJXKFSA-N 2 1 343.515 3.275 20 0 EGADMP O[C@]1(CNCc2cccc(Cl)c2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000344513252 141167453 /nfs/dbraw/zinc/16/74/53/141167453.db2.gz LFACJQFXNPQGNT-IBGZPJMESA-N 2 1 348.849 3.206 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+]4CCCCC4)C3)C2)cc1 ZINC000346479021 141203684 /nfs/dbraw/zinc/20/36/84/141203684.db2.gz FMJOXUINLXVNMR-QFIPXVFZSA-N 2 1 341.543 3.460 20 0 EGADMP Cc1cc(F)ccc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000352959534 141277252 /nfs/dbraw/zinc/27/72/52/141277252.db2.gz VUSVUYHVWHZUPU-ROUUACIJSA-N 2 1 333.495 3.125 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000356301453 141339270 /nfs/dbraw/zinc/33/92/70/141339270.db2.gz QGJUPEJLBWFCFB-TZIWHRDSSA-N 2 1 343.515 3.014 20 0 EGADMP FC(F)(F)C1CCC(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)CC1 ZINC000185517761 144113876 /nfs/dbraw/zinc/11/38/76/144113876.db2.gz CNKXZNZZBWKKBO-PCKAHOCUSA-N 2 1 334.426 3.009 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186920100 144146669 /nfs/dbraw/zinc/14/66/69/144146669.db2.gz MVVKHMIPUXDISD-UHFFFAOYSA-N 2 1 345.462 3.180 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000192193118 144172179 /nfs/dbraw/zinc/17/21/79/144172179.db2.gz SFLOTBAOVSIIKH-UHFFFAOYSA-N 2 1 343.496 3.279 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CC[N@H+]1C ZINC000344626904 144201928 /nfs/dbraw/zinc/20/19/28/144201928.db2.gz LOULHSFOQWMYJJ-AEFFLSMTSA-N 2 1 325.456 3.233 20 0 EGADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCCc2[nH+]ccn21 ZINC000351497999 144270025 /nfs/dbraw/zinc/27/00/25/144270025.db2.gz IJVDSOIFZHEAHF-QGZVFWFLSA-N 2 1 344.503 3.066 20 0 EGADMP CN(C[C@H](O)C[N@@H+](CCc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351522545 144273776 /nfs/dbraw/zinc/27/37/76/144273776.db2.gz LTPWYMPOKNICFL-FQEVSTJZSA-N 2 1 334.479 3.068 20 0 EGADMP C[N@H+](C[C@H](O)C[NH+](CCc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351522545 144273778 /nfs/dbraw/zinc/27/37/78/144273778.db2.gz LTPWYMPOKNICFL-FQEVSTJZSA-N 2 1 334.479 3.068 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH+](CCc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351522545 144273779 /nfs/dbraw/zinc/27/37/79/144273779.db2.gz LTPWYMPOKNICFL-FQEVSTJZSA-N 2 1 334.479 3.068 20 0 EGADMP C[NH+](C[C@H](O)C[N@H+](CCc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351522545 144273781 /nfs/dbraw/zinc/27/37/81/144273781.db2.gz LTPWYMPOKNICFL-FQEVSTJZSA-N 2 1 334.479 3.068 20 0 EGADMP C[NH+](C[C@H](O)C[N@@H+](CCc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351522545 144273783 /nfs/dbraw/zinc/27/37/83/144273783.db2.gz LTPWYMPOKNICFL-FQEVSTJZSA-N 2 1 334.479 3.068 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(c1ccccc1)c1ccccc1 ZINC000351578440 144283218 /nfs/dbraw/zinc/28/32/18/144283218.db2.gz HKSFTESCINORMW-DYESRHJHSA-N 2 1 338.495 3.252 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(c1ccccc1)c1ccccc1 ZINC000351578440 144283220 /nfs/dbraw/zinc/28/32/20/144283220.db2.gz HKSFTESCINORMW-DYESRHJHSA-N 2 1 338.495 3.252 20 0 EGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3conc3Cc3ccccc3)CC[C@@H]21 ZINC000351815536 144310740 /nfs/dbraw/zinc/31/07/40/144310740.db2.gz WEDPNICPCZJPAT-XLIONFOSSA-N 2 1 325.456 3.182 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3conc3Cc3ccccc3)CC[C@@H]21 ZINC000351815536 144310742 /nfs/dbraw/zinc/31/07/42/144310742.db2.gz WEDPNICPCZJPAT-XLIONFOSSA-N 2 1 325.456 3.182 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3conc3Cc3ccccc3)CC[C@@H]21 ZINC000351815536 144310744 /nfs/dbraw/zinc/31/07/44/144310744.db2.gz WEDPNICPCZJPAT-XLIONFOSSA-N 2 1 325.456 3.182 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3conc3Cc3ccccc3)CC[C@@H]21 ZINC000351815536 144310745 /nfs/dbraw/zinc/31/07/45/144310745.db2.gz WEDPNICPCZJPAT-XLIONFOSSA-N 2 1 325.456 3.182 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000351847582 144315747 /nfs/dbraw/zinc/31/57/47/144315747.db2.gz ANJDENXNCQPZDI-ZVZYQTTQSA-N 2 1 349.494 3.088 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000351847582 144315748 /nfs/dbraw/zinc/31/57/48/144315748.db2.gz ANJDENXNCQPZDI-ZVZYQTTQSA-N 2 1 349.494 3.088 20 0 EGADMP Clc1cccc(-c2n[nH]cc2CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000364019846 144384515 /nfs/dbraw/zinc/38/45/15/144384515.db2.gz CSWZKGLJVHSDNU-IAGOWNOFSA-N 2 1 330.863 3.447 20 0 EGADMP Clc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000364019846 144384516 /nfs/dbraw/zinc/38/45/16/144384516.db2.gz CSWZKGLJVHSDNU-IAGOWNOFSA-N 2 1 330.863 3.447 20 0 EGADMP Clc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000364019846 144384517 /nfs/dbraw/zinc/38/45/17/144384517.db2.gz CSWZKGLJVHSDNU-IAGOWNOFSA-N 2 1 330.863 3.447 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000364315500 144399533 /nfs/dbraw/zinc/39/95/33/144399533.db2.gz PNOFUVODASRKKM-WOJBJXKFSA-N 2 1 337.467 3.474 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000364315500 144399534 /nfs/dbraw/zinc/39/95/34/144399534.db2.gz PNOFUVODASRKKM-WOJBJXKFSA-N 2 1 337.467 3.474 20 0 EGADMP CCc1noc(C)c1C[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000119316562 152193526 /nfs/dbraw/zinc/19/35/26/152193526.db2.gz YZGYPCZHKNRJSZ-UHFFFAOYSA-N 2 1 342.487 3.079 20 0 EGADMP CCc1noc(C)c1C[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000119316562 152193529 /nfs/dbraw/zinc/19/35/29/152193529.db2.gz YZGYPCZHKNRJSZ-UHFFFAOYSA-N 2 1 342.487 3.079 20 0 EGADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191518466 153203881 /nfs/dbraw/zinc/20/38/81/153203881.db2.gz GHFFHFIPLASAME-ZWKOTPCHSA-N 2 1 327.582 3.009 20 0 EGADMP CCN(C)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000191579911 153207478 /nfs/dbraw/zinc/20/74/78/153207478.db2.gz KWRLNTFAACJLER-FUHWJXTLSA-N 2 1 330.520 3.280 20 0 EGADMP CCC(CC)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)NC(=O)OC(C)(C)C ZINC000192918756 153266168 /nfs/dbraw/zinc/26/61/68/153266168.db2.gz RWDMIHOTCAYCBQ-MQVJKMGUSA-N 2 1 339.524 3.285 20 0 EGADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192924654 153266465 /nfs/dbraw/zinc/26/64/65/153266465.db2.gz ZBEHWODHSZKXRS-QGZVFWFLSA-N 2 1 326.488 3.319 20 0 EGADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192924654 153266470 /nfs/dbraw/zinc/26/64/70/153266470.db2.gz ZBEHWODHSZKXRS-QGZVFWFLSA-N 2 1 326.488 3.319 20 0 EGADMP CC(C)Cn1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000192921242 153266644 /nfs/dbraw/zinc/26/66/44/153266644.db2.gz HYNMECSDPINCMK-LJQANCHMSA-N 2 1 326.488 3.151 20 0 EGADMP CC(C)Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000192921242 153266650 /nfs/dbraw/zinc/26/66/50/153266650.db2.gz HYNMECSDPINCMK-LJQANCHMSA-N 2 1 326.488 3.151 20 0 EGADMP Cc1cccn2c(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cnc12 ZINC000192929093 153268926 /nfs/dbraw/zinc/26/89/26/153268926.db2.gz QTTVHQZIVUTWBX-IBGZPJMESA-N 2 1 334.467 3.254 20 0 EGADMP C[C@H]([NH2+]CCOCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309932310 154139126 /nfs/dbraw/zinc/13/91/26/154139126.db2.gz WSVLORTVMRWJER-HOCLYGCPSA-N 2 1 330.394 3.066 20 0 EGADMP C[C@@H]([NH2+]CCOCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309932306 154139221 /nfs/dbraw/zinc/13/92/21/154139221.db2.gz WSVLORTVMRWJER-GDBMZVCRSA-N 2 1 330.394 3.066 20 0 EGADMP c1cncc([C@H]2CCC[C@@H]([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)c1 ZINC000337348681 154299458 /nfs/dbraw/zinc/29/94/58/154299458.db2.gz ZGPVZEXUSWYHDT-AZUAARDMSA-N 2 1 343.515 3.342 20 0 EGADMP CCOc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000349126089 156361166 /nfs/dbraw/zinc/36/11/66/156361166.db2.gz FUOZLWMCUPKIRZ-GOSISDBHSA-N 2 1 332.488 3.258 20 0 EGADMP NCc1cc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)co1 ZINC000372439802 157332230 /nfs/dbraw/zinc/33/22/30/157332230.db2.gz VNCLHCOJELTRCN-UHFFFAOYSA-N 2 1 336.395 3.190 20 0 EGADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)c2)CC1 ZINC000126456575 162304604 /nfs/dbraw/zinc/30/46/04/162304604.db2.gz UVVZMUNLVPBZJC-RXVVDRJESA-N 3 1 329.532 3.348 20 0 EGADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCN(C)C[C@@H]3C)c2)CC1 ZINC000126456575 162304609 /nfs/dbraw/zinc/30/46/09/162304609.db2.gz UVVZMUNLVPBZJC-RXVVDRJESA-N 2 1 329.532 3.348 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)CCCOC)CC2)cs1 ZINC000178092739 162661353 /nfs/dbraw/zinc/66/13/53/162661353.db2.gz WBZJPHFJBSOJNU-OAHLLOKOSA-N 2 1 339.549 3.322 20 0 EGADMP CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccnc1 ZINC000248526604 163011706 /nfs/dbraw/zinc/01/17/06/163011706.db2.gz VBEDHZGYSUVCGF-RTWAWAEBSA-N 2 1 339.483 3.279 20 0 EGADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000337245611 163178039 /nfs/dbraw/zinc/17/80/39/163178039.db2.gz HHWUZQDQIZNQFK-LRFDDAOPSA-N 2 1 330.394 3.011 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000354379194 166013402 /nfs/dbraw/zinc/01/34/02/166013402.db2.gz DXXUIAMHOVVOBT-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000354379194 166013403 /nfs/dbraw/zinc/01/34/03/166013403.db2.gz DXXUIAMHOVVOBT-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000354379194 166013404 /nfs/dbraw/zinc/01/34/04/166013404.db2.gz DXXUIAMHOVVOBT-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000350200896 165018573 /nfs/dbraw/zinc/01/85/73/165018573.db2.gz CPJBBVYWVOYLIL-SFHVURJKSA-N 2 1 343.471 3.274 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000350259431 165022897 /nfs/dbraw/zinc/02/28/97/165022897.db2.gz VOIUVLOIMRHHDD-HOCLYGCPSA-N 2 1 326.431 3.459 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000350259431 165022898 /nfs/dbraw/zinc/02/28/98/165022898.db2.gz VOIUVLOIMRHHDD-HOCLYGCPSA-N 2 1 326.431 3.459 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000350287257 165025473 /nfs/dbraw/zinc/02/54/73/165025473.db2.gz PEEHACHLKYXRSW-GOSISDBHSA-N 2 1 343.471 3.274 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000350287257 165025476 /nfs/dbraw/zinc/02/54/76/165025476.db2.gz PEEHACHLKYXRSW-GOSISDBHSA-N 2 1 343.471 3.274 20 0 EGADMP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000355060886 166096903 /nfs/dbraw/zinc/09/69/03/166096903.db2.gz QQVVDPCDWNWPIT-UHFFFAOYSA-N 2 1 332.879 3.287 20 0 EGADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000355060886 166096904 /nfs/dbraw/zinc/09/69/04/166096904.db2.gz QQVVDPCDWNWPIT-UHFFFAOYSA-N 2 1 332.879 3.287 20 0 EGADMP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000355129489 166113716 /nfs/dbraw/zinc/11/37/16/166113716.db2.gz YAUGMFFMZRWQDK-UYAOXDASSA-N 2 1 343.515 3.133 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000355210308 166134684 /nfs/dbraw/zinc/13/46/84/166134684.db2.gz BJDMMGWZQISBCT-GTAWCEEGSA-N 2 1 344.499 3.076 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccsc1 ZINC000355410746 166188957 /nfs/dbraw/zinc/18/89/57/166188957.db2.gz RLPLAZUQZIJEKB-UXLLHSPISA-N 2 1 337.533 3.120 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000355410787 166189598 /nfs/dbraw/zinc/18/95/98/166189598.db2.gz LCZUIPFULLGWLW-IYBDPMFKSA-N 2 1 347.528 3.047 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000355410787 166189601 /nfs/dbraw/zinc/18/96/01/166189601.db2.gz LCZUIPFULLGWLW-IYBDPMFKSA-N 2 1 347.528 3.047 20 0 EGADMP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(Cl)o3)cc2)CC1 ZINC000355707807 166287167 /nfs/dbraw/zinc/28/71/67/166287167.db2.gz YEFHKLBLWWSZAE-UHFFFAOYSA-N 2 1 334.847 3.180 20 0 EGADMP C[NH+](C)CC1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000357309779 166643515 /nfs/dbraw/zinc/64/35/15/166643515.db2.gz PSIIOXQUCZBYKQ-UHFFFAOYSA-N 2 1 329.257 3.362 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(OC)CCC(C)CC2)[C@@H](C)C1 ZINC000359024420 167041993 /nfs/dbraw/zinc/04/19/93/167041993.db2.gz DPRVBSFKAYVSAL-FUFFSDJGSA-N 2 1 340.552 3.308 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(C(=O)OC)[nH]2)CC1)CC1CC1 ZINC000359264424 167110307 /nfs/dbraw/zinc/11/03/07/167110307.db2.gz PCLYJECDMNHOEZ-UHFFFAOYSA-N 2 1 347.503 3.135 20 0 EGADMP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360536641 167352944 /nfs/dbraw/zinc/35/29/44/167352944.db2.gz WQAJHHDDLXAYKJ-OAQYLSRUSA-N 2 1 335.451 3.124 20 0 EGADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360536641 167352946 /nfs/dbraw/zinc/35/29/46/167352946.db2.gz WQAJHHDDLXAYKJ-OAQYLSRUSA-N 2 1 335.451 3.124 20 0 EGADMP CC(C)[NH+]1CCC(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000360701467 167391343 /nfs/dbraw/zinc/39/13/43/167391343.db2.gz XDBAIFURTMIJHW-UYAOXDASSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000360701467 167391346 /nfs/dbraw/zinc/39/13/46/167391346.db2.gz XDBAIFURTMIJHW-UYAOXDASSA-N 3 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000360701467 167391348 /nfs/dbraw/zinc/39/13/48/167391348.db2.gz XDBAIFURTMIJHW-UYAOXDASSA-N 3 1 329.532 3.359 20 0 EGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@H]21 ZINC000366214147 168094814 /nfs/dbraw/zinc/09/48/14/168094814.db2.gz NKTFFKRUCPJVQE-DNVCBOLYSA-N 2 1 329.419 3.397 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@H]21 ZINC000366214147 168094816 /nfs/dbraw/zinc/09/48/16/168094816.db2.gz NKTFFKRUCPJVQE-DNVCBOLYSA-N 2 1 329.419 3.397 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@H]21 ZINC000366214147 168094818 /nfs/dbraw/zinc/09/48/18/168094818.db2.gz NKTFFKRUCPJVQE-DNVCBOLYSA-N 2 1 329.419 3.397 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@H]21 ZINC000366214147 168094820 /nfs/dbraw/zinc/09/48/20/168094820.db2.gz NKTFFKRUCPJVQE-DNVCBOLYSA-N 2 1 329.419 3.397 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000248617991 287273804 /nfs/dbraw/zinc/27/38/04/287273804.db2.gz BCBISTKOWPENSQ-RTBURBONSA-N 2 1 349.563 3.399 20 0 EGADMP CC(C)[NH2+]C1CC[NH+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195166223 266164306 /nfs/dbraw/zinc/16/43/06/266164306.db2.gz FUUZPJANZLZOAO-IBGZPJMESA-N 2 1 339.524 3.096 20 0 EGADMP CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CC)CC1 ZINC000224565352 266198131 /nfs/dbraw/zinc/19/81/31/266198131.db2.gz QHAAZZYVKRUPCR-MRXNPFEDSA-N 2 1 327.513 3.144 20 0 EGADMP C[N@@H+](CCCNC(=O)CC[C@@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000237066824 266223970 /nfs/dbraw/zinc/22/39/70/266223970.db2.gz GEHDJWJEBQVBLC-HXUWFJFHSA-N 2 1 339.483 3.105 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3(C[NH3+])CCCC3)cc2)C1 ZINC000237675479 266241350 /nfs/dbraw/zinc/24/13/50/266241350.db2.gz ZENCNMVIAXRTAE-INIZCTEOSA-N 2 1 329.488 3.376 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](NC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000274559212 267254277 /nfs/dbraw/zinc/25/42/77/267254277.db2.gz YYSUEUVHRAHLQR-HNNXBMFYSA-N 2 1 343.471 3.097 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274726677 267277466 /nfs/dbraw/zinc/27/74/66/267277466.db2.gz ARZQADIGNORHDD-ZXNZYJFHSA-N 2 1 328.500 3.444 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCC(C)(C)C ZINC000274854394 267297186 /nfs/dbraw/zinc/29/71/86/267297186.db2.gz RSXBZQIJLOSUME-MJGOQNOKSA-N 2 1 345.531 3.039 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCC(C)(C)C ZINC000274854394 267297189 /nfs/dbraw/zinc/29/71/89/267297189.db2.gz RSXBZQIJLOSUME-MJGOQNOKSA-N 2 1 345.531 3.039 20 0 EGADMP C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274911405 267305922 /nfs/dbraw/zinc/30/59/22/267305922.db2.gz NGSUACUAZUATAC-OYNPSCLESA-N 3 1 329.532 3.359 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274911405 267305925 /nfs/dbraw/zinc/30/59/25/267305925.db2.gz NGSUACUAZUATAC-OYNPSCLESA-N 3 1 329.532 3.359 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274911405 267305926 /nfs/dbraw/zinc/30/59/26/267305926.db2.gz NGSUACUAZUATAC-OYNPSCLESA-N 3 1 329.532 3.359 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274919812 267306808 /nfs/dbraw/zinc/30/68/08/267306808.db2.gz LCZGOXBSLBJECS-LMMKCTJWSA-N 2 1 345.531 3.180 20 0 EGADMP C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274953363 267311933 /nfs/dbraw/zinc/31/19/33/267311933.db2.gz VNHMGPUCMXQCGO-ZHODDXKCSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274953363 267311935 /nfs/dbraw/zinc/31/19/35/267311935.db2.gz VNHMGPUCMXQCGO-ZHODDXKCSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1OC(F)F ZINC000278500430 268026001 /nfs/dbraw/zinc/02/60/01/268026001.db2.gz LOFYUZVOCPRWSC-HUUCEWRRSA-N 2 1 342.430 3.440 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1OC(F)F ZINC000278500430 268026002 /nfs/dbraw/zinc/02/60/02/268026002.db2.gz LOFYUZVOCPRWSC-HUUCEWRRSA-N 2 1 342.430 3.440 20 0 EGADMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OC(F)F ZINC000275013147 275249332 /nfs/dbraw/zinc/24/93/32/275249332.db2.gz KFLVWGQVUPRVJO-GXTWGEPZSA-N 2 1 328.403 3.069 20 0 EGADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OC(F)F ZINC000275013147 275249335 /nfs/dbraw/zinc/24/93/35/275249335.db2.gz KFLVWGQVUPRVJO-GXTWGEPZSA-N 2 1 328.403 3.069 20 0 EGADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC(F)F ZINC000275013147 275249336 /nfs/dbraw/zinc/24/93/36/275249336.db2.gz KFLVWGQVUPRVJO-GXTWGEPZSA-N 2 1 328.403 3.069 20 0 EGADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC(F)F ZINC000275013147 275249338 /nfs/dbraw/zinc/24/93/38/275249338.db2.gz KFLVWGQVUPRVJO-GXTWGEPZSA-N 2 1 328.403 3.069 20 0 EGADMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OC(F)F ZINC000275013149 275249480 /nfs/dbraw/zinc/24/94/80/275249480.db2.gz KFLVWGQVUPRVJO-JSGCOSHPSA-N 2 1 328.403 3.069 20 0 EGADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OC(F)F ZINC000275013149 275249481 /nfs/dbraw/zinc/24/94/81/275249481.db2.gz KFLVWGQVUPRVJO-JSGCOSHPSA-N 2 1 328.403 3.069 20 0 EGADMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC(F)F ZINC000275013149 275249482 /nfs/dbraw/zinc/24/94/82/275249482.db2.gz KFLVWGQVUPRVJO-JSGCOSHPSA-N 2 1 328.403 3.069 20 0 EGADMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC(F)F ZINC000275013149 275249483 /nfs/dbraw/zinc/24/94/83/275249483.db2.gz KFLVWGQVUPRVJO-JSGCOSHPSA-N 2 1 328.403 3.069 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCO[C@H]1CCCCO1 ZINC000278595818 275257550 /nfs/dbraw/zinc/25/75/50/275257550.db2.gz DQFYIULACZETTH-HOJAQTOUSA-N 2 1 332.488 3.030 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCO[C@H]1CCCCO1 ZINC000278595818 275257552 /nfs/dbraw/zinc/25/75/52/275257552.db2.gz DQFYIULACZETTH-HOJAQTOUSA-N 2 1 332.488 3.030 20 0 EGADMP O[C@@H]1c2ccccc2C[C@@H]1[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278920721 275287858 /nfs/dbraw/zinc/28/78/58/275287858.db2.gz ROPNVHHWPYYTIE-VQTJNVASSA-N 2 1 337.467 3.057 20 0 EGADMP CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC000279169579 275309395 /nfs/dbraw/zinc/30/93/95/275309395.db2.gz UQKHUOVQAINBGJ-CQSZACIVSA-N 2 1 349.438 3.385 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000282766215 275668649 /nfs/dbraw/zinc/66/86/49/275668649.db2.gz WMTFXTLXMLMYGD-MRXNPFEDSA-N 2 1 337.471 3.326 20 0 EGADMP CCC[C@](C)([NH3+])C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353204075 276051221 /nfs/dbraw/zinc/05/12/21/276051221.db2.gz LZJKURVXMMGFPT-SFTDATJTSA-N 2 1 343.515 3.019 20 0 EGADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000286871790 276052401 /nfs/dbraw/zinc/05/24/01/276052401.db2.gz HMUWPWVRGAFPDS-SJORKVTESA-N 2 1 342.405 3.351 20 0 EGADMP CC[NH+](CC)CC(=O)Nc1cccc(N[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000286954844 276062387 /nfs/dbraw/zinc/06/23/87/276062387.db2.gz HPINYDPGHUAFBX-LPHOPBHVSA-N 2 1 346.519 3.109 20 0 EGADMP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000287227295 276098616 /nfs/dbraw/zinc/09/86/16/276098616.db2.gz XXWFBTLMKWNUIE-GPMSIDNRSA-N 2 1 346.519 3.108 20 0 EGADMP O[C@H](Cc1cccc(Cl)c1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000287409301 276116946 /nfs/dbraw/zinc/11/69/46/276116946.db2.gz SDXOUOZZXUJNPO-LJQANCHMSA-N 2 1 336.907 3.194 20 0 EGADMP COc1nc(C)cc(C)c1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000287572820 276135041 /nfs/dbraw/zinc/13/50/41/276135041.db2.gz BUBZQPOTJPAOHC-IRXDYDNUSA-N 2 1 331.504 3.450 20 0 EGADMP COc1nc(C)cc(C)c1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000287572820 276135043 /nfs/dbraw/zinc/13/50/43/276135043.db2.gz BUBZQPOTJPAOHC-IRXDYDNUSA-N 2 1 331.504 3.450 20 0 EGADMP COc1ccc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000288970311 276273103 /nfs/dbraw/zinc/27/31/03/276273103.db2.gz BRCXKAKSCRUBQU-CYBMUJFWSA-N 2 1 341.293 3.231 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2[C@H](C)C[NH+](CC)C[C@H]2C)cc1)C1CC1 ZINC000344410829 276353513 /nfs/dbraw/zinc/35/35/13/276353513.db2.gz BYHFETCCWMKGGR-IAGOWNOFSA-N 2 1 343.515 3.226 20 0 EGADMP COc1ccc(-c2n[nH]cc2CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000289709418 276381555 /nfs/dbraw/zinc/38/15/55/276381555.db2.gz OUXYSXUPFDUSEB-JWTNVVGKSA-N 2 1 340.471 3.142 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000289709418 276381557 /nfs/dbraw/zinc/38/15/57/276381557.db2.gz OUXYSXUPFDUSEB-JWTNVVGKSA-N 2 1 340.471 3.142 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000289709418 276381558 /nfs/dbraw/zinc/38/15/58/276381558.db2.gz OUXYSXUPFDUSEB-JWTNVVGKSA-N 2 1 340.471 3.142 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000289709418 276381559 /nfs/dbraw/zinc/38/15/59/276381559.db2.gz OUXYSXUPFDUSEB-JWTNVVGKSA-N 2 1 340.471 3.142 20 0 EGADMP COC(=O)CCCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000289806664 276398292 /nfs/dbraw/zinc/39/82/92/276398292.db2.gz NFJHTGVEZHDYMT-UHFFFAOYSA-N 2 1 332.488 3.017 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000123183512 277051810 /nfs/dbraw/zinc/05/18/10/277051810.db2.gz GGRNJTSLFORRDA-UXHICEINSA-N 2 1 329.532 3.186 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000104204919 277722604 /nfs/dbraw/zinc/72/26/04/277722604.db2.gz UWBRMWWJZQEZHI-HKUYNNGSSA-N 2 1 347.503 3.043 20 0 EGADMP COc1ccccc1C[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246888516 278050527 /nfs/dbraw/zinc/05/05/27/278050527.db2.gz DNYAXPBYUZKVRQ-KURKYZTESA-N 2 1 334.504 3.105 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000362872358 279136656 /nfs/dbraw/zinc/13/66/56/279136656.db2.gz BCCFNRSXBOKVTQ-LJQANCHMSA-N 2 1 343.515 3.275 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1)C1CC1 ZINC000120459280 279234737 /nfs/dbraw/zinc/23/47/37/279234737.db2.gz LIPVNLLMSVHHDU-JXFKEZNVSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1)C1CC1 ZINC000120459280 279234738 /nfs/dbraw/zinc/23/47/38/279234738.db2.gz LIPVNLLMSVHHDU-JXFKEZNVSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1)C1CC1 ZINC000120459280 279234739 /nfs/dbraw/zinc/23/47/39/279234739.db2.gz LIPVNLLMSVHHDU-JXFKEZNVSA-N 2 1 343.515 3.083 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C2CCC3(CC2)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000161797731 280008314 /nfs/dbraw/zinc/00/83/14/280008314.db2.gz GJFWSQFIMUKKSA-FXAWDEMLSA-N 2 1 344.499 3.315 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C2CCC3(CC2)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000161797731 280008315 /nfs/dbraw/zinc/00/83/15/280008315.db2.gz GJFWSQFIMUKKSA-FXAWDEMLSA-N 2 1 344.499 3.315 20 0 EGADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(F)ccc1F ZINC000128306624 280186692 /nfs/dbraw/zinc/18/66/92/280186692.db2.gz QIRDFRLUQDQDRH-GOSISDBHSA-N 2 1 325.447 3.033 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000236676721 282070948 /nfs/dbraw/zinc/07/09/48/282070948.db2.gz KXQIAWRMMPWUMJ-HOCLYGCPSA-N 2 1 337.533 3.012 20 0 EGADMP C[C@@]1(O)CCC[NH+](CCCCCC[N@@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000376437168 289208516 /nfs/dbraw/zinc/20/85/16/289208516.db2.gz ZBMXJBRLHQGGDJ-WOJBJXKFSA-N 2 1 340.552 3.021 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000339362464 290387375 /nfs/dbraw/zinc/38/73/75/290387375.db2.gz LYEGTBMZQWQJRL-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000339362464 290387376 /nfs/dbraw/zinc/38/73/76/290387376.db2.gz LYEGTBMZQWQJRL-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000339362464 290387380 /nfs/dbraw/zinc/38/73/80/290387380.db2.gz LYEGTBMZQWQJRL-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000342751349 290393031 /nfs/dbraw/zinc/39/30/31/290393031.db2.gz ODFUNHIUUQRTKT-ABSDTBQOSA-N 2 1 343.515 3.065 20 0 EGADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)C1CC1 ZINC000051688311 307331350 /nfs/dbraw/zinc/33/13/50/307331350.db2.gz HIXNUJLOHPWZAF-UHFFFAOYSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H](C[NH2+]Cc1ccc(F)c(Br)c1)C[NH+]1CCCC1 ZINC000057994170 307347652 /nfs/dbraw/zinc/34/76/52/307347652.db2.gz DGMBCICRORAYKX-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP COC(=O)c1cnc([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000414077205 309059525 /nfs/dbraw/zinc/05/95/25/309059525.db2.gz QZEYCVSSCLTFHM-KGLIPLIRSA-N 2 1 339.505 3.235 20 0 EGADMP COC(=O)c1cnc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)s1 ZINC000414077205 309059526 /nfs/dbraw/zinc/05/95/26/309059526.db2.gz QZEYCVSSCLTFHM-KGLIPLIRSA-N 2 1 339.505 3.235 20 0 EGADMP COC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1F ZINC000414193309 309066138 /nfs/dbraw/zinc/06/61/38/309066138.db2.gz TVEJSMVKTOWETC-CZUORRHYSA-N 2 1 328.859 3.488 20 0 EGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[C@@H](C)O1 ZINC000414271691 309069929 /nfs/dbraw/zinc/06/99/29/309069929.db2.gz XEFJCGYZJRTYFB-ZPJXIJEESA-N 2 1 328.500 3.300 20 0 EGADMP Cc1occc1C[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000414274030 309070100 /nfs/dbraw/zinc/07/01/00/309070100.db2.gz PBXUVIAARJATMP-HXUWFJFHSA-N 2 1 327.472 3.056 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248547228 308005263 /nfs/dbraw/zinc/00/52/63/308005263.db2.gz GAYHQLPOQVPIQG-YYWHXJBOSA-N 3 1 329.532 3.217 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248547228 308005264 /nfs/dbraw/zinc/00/52/64/308005264.db2.gz GAYHQLPOQVPIQG-YYWHXJBOSA-N 3 1 329.532 3.217 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C2CC2)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000248547228 308005268 /nfs/dbraw/zinc/00/52/68/308005268.db2.gz GAYHQLPOQVPIQG-YYWHXJBOSA-N 2 1 329.532 3.217 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C2CC2)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000248547228 308005270 /nfs/dbraw/zinc/00/52/70/308005270.db2.gz GAYHQLPOQVPIQG-YYWHXJBOSA-N 2 1 329.532 3.217 20 0 EGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)CCc3ccccc3)C2)CC1 ZINC000248617175 308007422 /nfs/dbraw/zinc/00/74/22/308007422.db2.gz ZHHQAYOZWUKUJY-YADHBBJMSA-N 2 1 344.543 3.424 20 0 EGADMP CC[C@]1(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC[NH2+]1 ZINC000248713289 308009927 /nfs/dbraw/zinc/00/99/27/308009927.db2.gz JWRFCNCMWHCHHM-HFSMHLIXSA-N 2 1 343.515 3.030 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000249117351 308019323 /nfs/dbraw/zinc/01/93/23/308019323.db2.gz OIBNLZUKTHQWRH-HKBOAZHASA-N 2 1 330.516 3.224 20 0 EGADMP Cc1occc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000414419065 309079068 /nfs/dbraw/zinc/07/90/68/309079068.db2.gz ZLCIBQJFSKDINE-UHFFFAOYSA-N 2 1 333.520 3.216 20 0 EGADMP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000254873764 308034382 /nfs/dbraw/zinc/03/43/82/308034382.db2.gz QABBNZMLRSBABA-UKSYNSBOSA-N 2 1 327.516 3.192 20 0 EGADMP C[N@H+]1CCCC[C@H]1CCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000254873764 308034384 /nfs/dbraw/zinc/03/43/84/308034384.db2.gz QABBNZMLRSBABA-UKSYNSBOSA-N 2 1 327.516 3.192 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCCOC2=O)cc1 ZINC000293903383 308172561 /nfs/dbraw/zinc/17/25/61/308172561.db2.gz WOEMDOQCKXCCKP-ZYSHUDEJSA-N 2 1 343.471 3.311 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N2CCCOC2=O)cc1 ZINC000293903383 308172563 /nfs/dbraw/zinc/17/25/63/308172563.db2.gz WOEMDOQCKXCCKP-ZYSHUDEJSA-N 2 1 343.471 3.311 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000294713825 308248963 /nfs/dbraw/zinc/24/89/63/308248963.db2.gz BMSDXZDBJBQVDH-PMACEKPBSA-N 2 1 328.500 3.242 20 0 EGADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000294992995 308279452 /nfs/dbraw/zinc/27/94/52/308279452.db2.gz QOZGVPRDASIPGH-HMXCVIKNSA-N 2 1 328.500 3.193 20 0 EGADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000294992995 308279453 /nfs/dbraw/zinc/27/94/53/308279453.db2.gz QOZGVPRDASIPGH-HMXCVIKNSA-N 2 1 328.500 3.193 20 0 EGADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000294992995 308279455 /nfs/dbraw/zinc/27/94/55/308279455.db2.gz QOZGVPRDASIPGH-HMXCVIKNSA-N 2 1 328.500 3.193 20 0 EGADMP Nc1ncccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000295187668 308300782 /nfs/dbraw/zinc/30/07/82/308300782.db2.gz KGNRYZPZSCNABI-UHFFFAOYSA-N 2 1 336.483 3.152 20 0 EGADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1sccc1C[NH+](C)C ZINC000295641743 308346267 /nfs/dbraw/zinc/34/62/67/308346267.db2.gz BLRBXMJGYZJMGV-INIZCTEOSA-N 2 1 337.533 3.050 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCc1cscn1 ZINC000295690364 308351035 /nfs/dbraw/zinc/35/10/35/308351035.db2.gz IENGKUIDSKDWIA-MNZLEMJZSA-N 2 1 329.513 3.432 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414656812 309094066 /nfs/dbraw/zinc/09/40/66/309094066.db2.gz GEUWWBKACLSKRG-HZPDHXFCSA-N 2 1 339.487 3.229 20 0 EGADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2CCC2CCCCC2)C1 ZINC000414716145 309097060 /nfs/dbraw/zinc/09/70/60/309097060.db2.gz ZJTNLISIPDONDF-RTBURBONSA-N 2 1 335.536 3.009 20 0 EGADMP CCCCCOc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1OC ZINC000414663166 309094313 /nfs/dbraw/zinc/09/43/13/309094313.db2.gz AXIFJHMOFCZWLX-OKZBNKHCSA-N 2 1 332.488 3.433 20 0 EGADMP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1OC(F)F ZINC000414670020 309094706 /nfs/dbraw/zinc/09/47/06/309094706.db2.gz CMQFRSZFAIGVPM-OCCSQVGLSA-N 2 1 328.403 3.117 20 0 EGADMP C[C@H]1C[C@@H](C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000414668704 309094714 /nfs/dbraw/zinc/09/47/14/309094714.db2.gz AQKHJBYWLGUZBY-RYUDHWBXSA-N 2 1 344.286 3.252 20 0 EGADMP c1nc(-c2ccncc2)sc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772236 309099930 /nfs/dbraw/zinc/09/99/30/309099930.db2.gz BMBPRWKBDIEHEN-HZPDHXFCSA-N 2 1 328.485 3.027 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(Cl)c1OC ZINC000414773744 309100139 /nfs/dbraw/zinc/10/01/39/309100139.db2.gz XQSRDNIYAYMLQV-GASCZTMLSA-N 2 1 338.879 3.179 20 0 EGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1C(F)(F)F ZINC000414782793 309100794 /nfs/dbraw/zinc/10/07/94/309100794.db2.gz OWGMHFMHWXKAPU-HNNXBMFYSA-N 2 1 342.405 3.201 20 0 EGADMP FC(F)(F)Oc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414783191 309100868 /nfs/dbraw/zinc/10/08/68/309100868.db2.gz PNUSGQNTZLNWJC-KGLIPLIRSA-N 2 1 328.378 3.407 20 0 EGADMP COc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)ccc1OCc1ccccc1 ZINC000414786916 309101087 /nfs/dbraw/zinc/10/10/87/309101087.db2.gz BVPNPDYXUZCBTQ-SFHVURJKSA-N 2 1 328.456 3.347 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414787725 309101132 /nfs/dbraw/zinc/10/11/32/309101132.db2.gz VXLDJJKJICNICF-HUUCEWRRSA-N 2 1 340.414 3.118 20 0 EGADMP Brc1csc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414785266 309101162 /nfs/dbraw/zinc/10/11/62/309101162.db2.gz SGBLJZGYPKACRI-VXGBXAGGSA-N 2 1 329.307 3.332 20 0 EGADMP CCCCOc1ccccc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414785791 309101209 /nfs/dbraw/zinc/10/12/09/309101209.db2.gz TXTRLAHVGPFVQW-GOSISDBHSA-N 2 1 332.488 3.053 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414788931 309101258 /nfs/dbraw/zinc/10/12/58/309101258.db2.gz XNGQDJROQQWDRW-MOPGFXCFSA-N 2 1 338.499 3.311 20 0 EGADMP COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414788281 309101357 /nfs/dbraw/zinc/10/13/57/309101357.db2.gz WNYQCLLYSRTDMZ-KGLIPLIRSA-N 2 1 340.414 3.118 20 0 EGADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000414798429 309102159 /nfs/dbraw/zinc/10/21/59/309102159.db2.gz QLNXIXIDUNEGKX-IBGZPJMESA-N 2 1 335.455 3.007 20 0 EGADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000414805975 309102549 /nfs/dbraw/zinc/10/25/49/309102549.db2.gz QALOWPDETSOVHE-UKRRQHHQSA-N 2 1 345.468 3.146 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000414810725 309103034 /nfs/dbraw/zinc/10/30/34/309103034.db2.gz IJIGMEWJOGHTGI-UONOGXRCSA-N 2 1 325.884 3.473 20 0 EGADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000414834774 309104706 /nfs/dbraw/zinc/10/47/06/309104706.db2.gz HROAUKPULGIGFP-INIZCTEOSA-N 2 1 328.504 3.174 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)C1 ZINC000413168300 309019403 /nfs/dbraw/zinc/01/94/03/309019403.db2.gz LAVBPYQMXUZOQY-HNNXBMFYSA-N 2 1 343.471 3.420 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1OCc1ccc(F)cc1 ZINC000414884594 309107101 /nfs/dbraw/zinc/10/71/01/309107101.db2.gz FTDRSAVBKAAIFF-GOSISDBHSA-N 2 1 344.430 3.240 20 0 EGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CC2([NH3+])CCC2)c1 ZINC000414884800 309107179 /nfs/dbraw/zinc/10/71/79/309107179.db2.gz WITBUYZBXLBCBK-UHFFFAOYSA-N 2 1 342.487 3.285 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414900718 309108276 /nfs/dbraw/zinc/10/82/76/309108276.db2.gz INXJPIBWTPEAJK-LJQANCHMSA-N 2 1 330.451 3.108 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414912683 309108936 /nfs/dbraw/zinc/10/89/36/309108936.db2.gz VQSOBXJOSMIXRC-FQEVSTJZSA-N 2 1 326.488 3.028 20 0 EGADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000414947413 309110824 /nfs/dbraw/zinc/11/08/24/309110824.db2.gz VBKZSKSSZLPFNB-RYUDHWBXSA-N 2 1 337.261 3.306 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000415082908 309119101 /nfs/dbraw/zinc/11/91/01/309119101.db2.gz MIWLWIXDQMRRER-HIFRSBDPSA-N 2 1 345.409 3.423 20 0 EGADMP CC(C)(C)c1ccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000415134128 309122884 /nfs/dbraw/zinc/12/28/84/309122884.db2.gz NUPNIFHCFFRNCC-MOPGFXCFSA-N 2 1 328.500 3.185 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NCC[N@H+]2CCCC[C@H]2CC)c1 ZINC000415909355 309147739 /nfs/dbraw/zinc/14/77/39/309147739.db2.gz SUVDYELMLDUSMZ-GOSISDBHSA-N 2 1 332.492 3.182 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000415934254 309149718 /nfs/dbraw/zinc/14/97/18/309149718.db2.gz RDXVVCNIMSLQTG-MRXNPFEDSA-N 2 1 332.492 3.182 20 0 EGADMP [NH3+]Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000415981837 309152614 /nfs/dbraw/zinc/15/26/14/309152614.db2.gz WMJWWSMODYIRFM-LJQANCHMSA-N 2 1 344.503 3.312 20 0 EGADMP C[NH+](C)C1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000417353283 309202771 /nfs/dbraw/zinc/20/27/71/309202771.db2.gz ILHZQKHVKFATGE-ZCNNSNEGSA-N 2 1 327.516 3.113 20 0 EGADMP CN(C)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000417353283 309202772 /nfs/dbraw/zinc/20/27/72/309202772.db2.gz ILHZQKHVKFATGE-ZCNNSNEGSA-N 2 1 327.516 3.113 20 0 EGADMP CN(C)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000417353283 309202773 /nfs/dbraw/zinc/20/27/73/309202773.db2.gz ILHZQKHVKFATGE-ZCNNSNEGSA-N 2 1 327.516 3.113 20 0 EGADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)on1 ZINC000420288461 309279563 /nfs/dbraw/zinc/27/95/63/309279563.db2.gz HBXAJLBHKKFPKK-AWEZNQCLSA-N 2 1 337.423 3.284 20 0 EGADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)on1 ZINC000420288461 309279564 /nfs/dbraw/zinc/27/95/64/309279564.db2.gz HBXAJLBHKKFPKK-AWEZNQCLSA-N 2 1 337.423 3.284 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C1 ZINC000420291349 309279622 /nfs/dbraw/zinc/27/96/22/309279622.db2.gz KDWDLTGRDXCWSU-AWEZNQCLSA-N 2 1 330.863 3.147 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C1 ZINC000420291349 309279623 /nfs/dbraw/zinc/27/96/23/309279623.db2.gz KDWDLTGRDXCWSU-AWEZNQCLSA-N 2 1 330.863 3.147 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420290397 309279633 /nfs/dbraw/zinc/27/96/33/309279633.db2.gz LYVFMPXWQTWGRR-PXAZEXFGSA-N 2 1 330.863 3.275 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420290397 309279634 /nfs/dbraw/zinc/27/96/34/309279634.db2.gz LYVFMPXWQTWGRR-PXAZEXFGSA-N 2 1 330.863 3.275 20 0 EGADMP Clc1ccc([C@@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1Cl ZINC000420294201 309279784 /nfs/dbraw/zinc/27/97/84/309279784.db2.gz AWPGDMFMQBPPJO-LRDDRELGSA-N 2 1 329.271 3.366 20 0 EGADMP Clc1ccc([C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1Cl ZINC000420294201 309279785 /nfs/dbraw/zinc/27/97/85/309279785.db2.gz AWPGDMFMQBPPJO-LRDDRELGSA-N 2 1 329.271 3.366 20 0 EGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420298918 309280128 /nfs/dbraw/zinc/28/01/28/309280128.db2.gz AGCBTSYDCXBHCT-JCGIZDLHSA-N 2 1 342.874 3.275 20 0 EGADMP Clc1ccc(O[C@@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000420303415 309280512 /nfs/dbraw/zinc/28/05/12/309280512.db2.gz NIGNKRCJYCONQD-GXTWGEPZSA-N 2 1 329.271 3.446 20 0 EGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420301303 309280516 /nfs/dbraw/zinc/28/05/16/309280516.db2.gz AMULHAXNYDPIEO-QHAWAJNXSA-N 3 1 329.532 3.048 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000420307378 309280775 /nfs/dbraw/zinc/28/07/75/309280775.db2.gz IITXYAAMYXUUQL-LBPRGKRZSA-N 2 1 345.256 3.028 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000420310036 309280993 /nfs/dbraw/zinc/28/09/93/309280993.db2.gz USMKDIQDPQYRIB-IEBWSBKVSA-N 2 1 342.458 3.441 20 0 EGADMP Cc1noc(C)c1C[NH+](CC[C@@H]1CCC[NH2+]C1)Cc1c(C)noc1C ZINC000420313573 309281159 /nfs/dbraw/zinc/28/11/59/309281159.db2.gz YBDBZFJCBZCHOE-KRWDZBQOSA-N 2 1 346.475 3.288 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000420311425 309281206 /nfs/dbraw/zinc/28/12/06/309281206.db2.gz VVUVNLGLRVINFT-MRXNPFEDSA-N 2 1 330.859 3.449 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000420311425 309281207 /nfs/dbraw/zinc/28/12/07/309281207.db2.gz VVUVNLGLRVINFT-MRXNPFEDSA-N 2 1 330.859 3.449 20 0 EGADMP Fc1ccc(C[N@H+](CCc2ccccn2)CC[C@H]2CC[NH2+]C2)cc1 ZINC000420327251 309282429 /nfs/dbraw/zinc/28/24/29/309282429.db2.gz YJFBOFUAZHZJEU-QGZVFWFLSA-N 2 1 327.447 3.265 20 0 EGADMP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331548 309282577 /nfs/dbraw/zinc/28/25/77/309282577.db2.gz CCXAPECNFDPEAZ-MOPGFXCFSA-N 2 1 343.515 3.071 20 0 EGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420339454 309283159 /nfs/dbraw/zinc/28/31/59/309283159.db2.gz YZNSPUWZGGBLEZ-CJNGLKHVSA-N 2 1 342.405 3.454 20 0 EGADMP CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420353288 309283695 /nfs/dbraw/zinc/28/36/95/309283695.db2.gz BRIXTLULCZNEJV-APWZRJJASA-N 2 1 345.531 3.040 20 0 EGADMP FC(F)Oc1ccc([C@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420364559 309284243 /nfs/dbraw/zinc/28/42/43/309284243.db2.gz RERPUTPVWVFDPP-WMLDXEAASA-N 2 1 340.414 3.051 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3ccc(Cl)cc3C2)cc1 ZINC000420378845 309285227 /nfs/dbraw/zinc/28/52/27/309285227.db2.gz UQVKGSFFQKMQRX-KRWDZBQOSA-N 2 1 330.859 3.449 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3ccc(Cl)cc3C2)cc1 ZINC000420378845 309285228 /nfs/dbraw/zinc/28/52/28/309285228.db2.gz UQVKGSFFQKMQRX-KRWDZBQOSA-N 2 1 330.859 3.449 20 0 EGADMP FC(F)(F)c1ccc([C@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420378832 309285395 /nfs/dbraw/zinc/28/53/95/309285395.db2.gz UQQZAAZXUWAMJE-WMLDXEAASA-N 2 1 342.405 3.468 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420387280 309285805 /nfs/dbraw/zinc/28/58/05/309285805.db2.gz VSIRPTFOXGRHKL-DNVCBOLYSA-N 2 1 327.476 3.258 20 0 EGADMP CCCCc1nc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cs1 ZINC000420392854 309286204 /nfs/dbraw/zinc/28/62/04/309286204.db2.gz PVMCKZVCHLFUAG-DOTOQJQBSA-N 2 1 337.533 3.204 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C[C@H]1C[NH3+] ZINC000420400148 309286543 /nfs/dbraw/zinc/28/65/43/309286543.db2.gz IJAFBWFIZIKTTC-IUODEOHRSA-N 2 1 348.288 3.414 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C[C@H]1C[NH3+] ZINC000420400148 309286544 /nfs/dbraw/zinc/28/65/44/309286544.db2.gz IJAFBWFIZIKTTC-IUODEOHRSA-N 2 1 348.288 3.414 20 0 EGADMP C[C@@H](O)C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCCCC1 ZINC000420898422 309299797 /nfs/dbraw/zinc/29/97/97/309299797.db2.gz CWZCFABWXFUKSC-GOSISDBHSA-N 2 1 346.515 3.034 20 0 EGADMP C[C@@H](O)C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCCCC1 ZINC000420898422 309299798 /nfs/dbraw/zinc/29/97/98/309299798.db2.gz CWZCFABWXFUKSC-GOSISDBHSA-N 2 1 346.515 3.034 20 0 EGADMP COCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCC[C@@H]1C ZINC000420927486 309301726 /nfs/dbraw/zinc/30/17/26/309301726.db2.gz ZNNVKEYRWAZTQH-RXVVDRJESA-N 2 1 346.515 3.156 20 0 EGADMP COCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCC[C@@H]1C ZINC000420927486 309301727 /nfs/dbraw/zinc/30/17/27/309301727.db2.gz ZNNVKEYRWAZTQH-RXVVDRJESA-N 2 1 346.515 3.156 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420928803 309301883 /nfs/dbraw/zinc/30/18/83/309301883.db2.gz PVHVMNVUSBKURB-DOTOQJQBSA-N 2 1 335.492 3.414 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420928803 309301884 /nfs/dbraw/zinc/30/18/84/309301884.db2.gz PVHVMNVUSBKURB-DOTOQJQBSA-N 2 1 335.492 3.414 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3oc(C(C)C)nc3C)CC2)CC1 ZINC000420983341 309305579 /nfs/dbraw/zinc/30/55/79/309305579.db2.gz QPIVITCAPGQVQT-UHFFFAOYSA-N 2 1 348.535 3.098 20 0 EGADMP OC1(CCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCC1 ZINC000421368742 309320930 /nfs/dbraw/zinc/32/09/30/309320930.db2.gz GIZAHCAFMQCGSW-UHFFFAOYSA-N 2 1 334.479 3.117 20 0 EGADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000421827145 309341769 /nfs/dbraw/zinc/34/17/69/309341769.db2.gz WNDQMCGDMZUHCY-HNNXBMFYSA-N 2 1 339.911 3.027 20 0 EGADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422726588 309365357 /nfs/dbraw/zinc/36/53/57/309365357.db2.gz FLRWSUOUUIYQJZ-JQFCIGGWSA-N 2 1 341.421 3.010 20 0 EGADMP Fc1ccc(F)c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422733593 309365779 /nfs/dbraw/zinc/36/57/79/309365779.db2.gz BLRLKVJULLIXCB-HKUYNNGSSA-N 2 1 330.378 3.310 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 ZINC000422757116 309366799 /nfs/dbraw/zinc/36/67/99/309366799.db2.gz JMMLDVWSMBBLAD-OAGGEKHMSA-N 2 1 332.536 3.256 20 0 EGADMP CCCC[NH+]1CCC([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422794733 309368582 /nfs/dbraw/zinc/36/85/82/309368582.db2.gz ZEVLZOFXYDTPDC-FPOVZHCZSA-N 3 1 343.515 3.096 20 0 EGADMP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1OC(F)F ZINC000422871716 309373112 /nfs/dbraw/zinc/37/31/12/309373112.db2.gz DILHCKFDJWRBHW-GXTWGEPZSA-N 2 1 328.403 3.164 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1Br ZINC000422876758 309373467 /nfs/dbraw/zinc/37/34/67/309373467.db2.gz GLWVROGANVFCAS-ZIAGYGMSSA-N 2 1 327.266 3.207 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422891538 309374594 /nfs/dbraw/zinc/37/45/94/309374594.db2.gz VSTAONUSBUUQDY-NNFYAJEDSA-N 3 1 327.516 3.016 20 0 EGADMP C[C@@H]([NH2+]CCc1nc2ccccc2n1C(F)F)c1c[nH+]ccc1N ZINC000422912138 309375750 /nfs/dbraw/zinc/37/57/50/309375750.db2.gz MFLFFKYHWKVTAR-LLVKDONJSA-N 2 1 331.370 3.132 20 0 EGADMP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c3ccccc3)C1)CC2 ZINC000422939314 309377240 /nfs/dbraw/zinc/37/72/40/309377240.db2.gz LWBPFZZXEHZHKS-AQNXPRMDSA-N 2 1 338.499 3.404 20 0 EGADMP COc1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)O[C@H](C)C2 ZINC000422968225 309378659 /nfs/dbraw/zinc/37/86/59/309378659.db2.gz QSUBEUPCQLFNPQ-DQEVTTJGSA-N 2 1 344.499 3.419 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422987942 309379681 /nfs/dbraw/zinc/37/96/81/309379681.db2.gz JMBMDFPUWBJRET-RXVVDRJESA-N 3 1 343.515 3.095 20 0 EGADMP C[C@H]1C[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000423005140 309380654 /nfs/dbraw/zinc/38/06/54/309380654.db2.gz QVUSBUYDQUDINW-CMZZOHRZSA-N 3 1 327.516 3.160 20 0 EGADMP C[C@H](NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022481 309381562 /nfs/dbraw/zinc/38/15/62/309381562.db2.gz HTBKJNOQPHJDDH-BAGBSZHRSA-N 2 1 339.886 3.202 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022481 309381564 /nfs/dbraw/zinc/38/15/64/309381564.db2.gz HTBKJNOQPHJDDH-BAGBSZHRSA-N 2 1 339.886 3.202 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000423079159 309384844 /nfs/dbraw/zinc/38/48/44/309384844.db2.gz XLNFMTSPHCCRCM-YRPNKDGESA-N 2 1 326.415 3.026 20 0 EGADMP CC[C@H]([NH2+]CCc1ccc(OC)c(OC)c1Cl)[C@@H]1CCCC[NH2+]1 ZINC000423131707 309387544 /nfs/dbraw/zinc/38/75/44/309387544.db2.gz ICRJHJNTYXHFNW-GJZGRUSLSA-N 2 1 340.895 3.410 20 0 EGADMP C[C@@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423142733 309388175 /nfs/dbraw/zinc/38/81/75/309388175.db2.gz VRLYTEUUSZSCPS-GIVPXCGWSA-N 2 1 329.532 3.409 20 0 EGADMP Fc1cc(F)c2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)CCC2 ZINC000423146190 309388435 /nfs/dbraw/zinc/38/84/35/309388435.db2.gz OLGLOZSMMBWWLV-VLQPXKRTSA-N 2 1 336.426 3.089 20 0 EGADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000423255490 309392558 /nfs/dbraw/zinc/39/25/58/309392558.db2.gz AFUDWMHSOATSHI-QUCCMNQESA-N 2 1 329.532 3.061 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC[C@@H]3CCC[NH2+]C3)[C@H]3CCC[C@@H]32)cc1 ZINC000423271556 309393336 /nfs/dbraw/zinc/39/33/36/309393336.db2.gz IVUMFUGUDOZJMG-FKVLARQCSA-N 3 1 341.543 3.409 20 0 EGADMP c1ccc(CN2CC[C@H]([NH2+]CC[C@@H]3CCC[NH2+]C3)[C@H]3CCC[C@@H]32)cc1 ZINC000423271556 309393337 /nfs/dbraw/zinc/39/33/37/309393337.db2.gz IVUMFUGUDOZJMG-FKVLARQCSA-N 2 1 341.543 3.409 20 0 EGADMP COCCC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc(Br)cc1 ZINC000423276600 309393621 /nfs/dbraw/zinc/39/36/21/309393621.db2.gz OPVWBOKUSXYIEK-HZPDHXFCSA-N 2 1 343.309 3.490 20 0 EGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423289557 309394078 /nfs/dbraw/zinc/39/40/78/309394078.db2.gz XNRPXPHEWKIJFV-HNNXBMFYSA-N 2 1 330.476 3.167 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423322347 309395069 /nfs/dbraw/zinc/39/50/69/309395069.db2.gz GYNWZLCGLXWPLE-PKOBYXMFSA-N 2 1 345.531 3.483 20 0 EGADMP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000423334474 309395740 /nfs/dbraw/zinc/39/57/40/309395740.db2.gz OZGDEYPMWOVRQC-GPMSIDNRSA-N 2 1 329.488 3.245 20 0 EGADMP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@H](C)[NH3+] ZINC000423337646 309395919 /nfs/dbraw/zinc/39/59/19/309395919.db2.gz RGEJMFWKIXUPRX-FUHIMQAGSA-N 2 1 345.531 3.154 20 0 EGADMP CC(C)[C@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@@H](C)[NH3+] ZINC000423342649 309396163 /nfs/dbraw/zinc/39/61/63/309396163.db2.gz VDZLEJWRBJEPIQ-HLIPFELVSA-N 2 1 345.531 3.297 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423365045 309397160 /nfs/dbraw/zinc/39/71/60/309397160.db2.gz PCCBFKIAICELFH-JSXRDJHFSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423365045 309397161 /nfs/dbraw/zinc/39/71/61/309397161.db2.gz PCCBFKIAICELFH-JSXRDJHFSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423365045 309397162 /nfs/dbraw/zinc/39/71/62/309397162.db2.gz PCCBFKIAICELFH-JSXRDJHFSA-N 3 1 327.516 3.019 20 0 EGADMP COC[C@]1(C[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)CCC[NH2+]1 ZINC000423429148 309400010 /nfs/dbraw/zinc/40/00/10/309400010.db2.gz OWYLBPMNWVNXMW-QWQRMKEZSA-N 2 1 333.501 3.147 20 0 EGADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(C)n1 ZINC000423471414 309401497 /nfs/dbraw/zinc/40/14/97/309401497.db2.gz MAKHRBITOSONMK-SOVGHPHASA-N 2 1 342.462 3.276 20 0 EGADMP Fc1ccccc1C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000423486764 309402427 /nfs/dbraw/zinc/40/24/27/309402427.db2.gz CDYVQBWNBCZUOX-QUCCMNQESA-N 2 1 328.431 3.078 20 0 EGADMP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000430951358 309621889 /nfs/dbraw/zinc/62/18/89/309621889.db2.gz VHPIWNKISXGMPJ-MNOVXSKESA-N 2 1 344.286 3.380 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+]1CCC([NH3+])CC1 ZINC000435376767 309730387 /nfs/dbraw/zinc/73/03/87/309730387.db2.gz UQAXNPKPQSRKCG-UHFFFAOYSA-N 2 1 332.879 3.125 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(-c2ccc(F)cc2)n1 ZINC000449342869 310055060 /nfs/dbraw/zinc/05/50/60/310055060.db2.gz FWMAOVLTASSUKM-HXUWFJFHSA-N 2 1 342.462 3.144 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(-c2ccc(F)cc2)n1 ZINC000449342869 310055061 /nfs/dbraw/zinc/05/50/61/310055061.db2.gz FWMAOVLTASSUKM-HXUWFJFHSA-N 2 1 342.462 3.144 20 0 EGADMP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(-c2ccc(F)cc2)n1 ZINC000449342869 310055062 /nfs/dbraw/zinc/05/50/62/310055062.db2.gz FWMAOVLTASSUKM-HXUWFJFHSA-N 2 1 342.462 3.144 20 0 EGADMP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(-c2ccc(F)cc2)n1 ZINC000449342869 310055063 /nfs/dbraw/zinc/05/50/63/310055063.db2.gz FWMAOVLTASSUKM-HXUWFJFHSA-N 2 1 342.462 3.144 20 0 EGADMP OCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000449435230 310062049 /nfs/dbraw/zinc/06/20/49/310062049.db2.gz ADQOFRUHVYGHMC-IKGGRYGDSA-N 2 1 342.405 3.345 20 0 EGADMP OCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000449435230 310062050 /nfs/dbraw/zinc/06/20/50/310062050.db2.gz ADQOFRUHVYGHMC-IKGGRYGDSA-N 2 1 342.405 3.345 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000449560673 310072167 /nfs/dbraw/zinc/07/21/67/310072167.db2.gz OGEDZBBNBGNSLH-MIGBEJBISA-N 2 1 332.488 3.158 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H](C)Cc3cccc(O)c3)sc2C1 ZINC000449672939 310079706 /nfs/dbraw/zinc/07/97/06/310079706.db2.gz YIJLJOURTVPTPD-AWEZNQCLSA-N 2 1 345.512 3.336 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H](C)Cc3cccc(O)c3)sc2C1 ZINC000449672939 310079707 /nfs/dbraw/zinc/07/97/07/310079707.db2.gz YIJLJOURTVPTPD-AWEZNQCLSA-N 2 1 345.512 3.336 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1)C(C)C ZINC000449704859 310081649 /nfs/dbraw/zinc/08/16/49/310081649.db2.gz IRCPDQPPFCBCCZ-SFHVURJKSA-N 2 1 331.504 3.035 20 0 EGADMP O=C1CCC(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000451044328 310157481 /nfs/dbraw/zinc/15/74/81/310157481.db2.gz BHFMRAZPMUWJIK-VQTJNVASSA-N 2 1 326.484 3.200 20 0 EGADMP O=C1CCC(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000451044328 310157482 /nfs/dbraw/zinc/15/74/82/310157482.db2.gz BHFMRAZPMUWJIK-VQTJNVASSA-N 2 1 326.484 3.200 20 0 EGADMP O=C1CCC(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000451044328 310157483 /nfs/dbraw/zinc/15/74/83/310157483.db2.gz BHFMRAZPMUWJIK-VQTJNVASSA-N 2 1 326.484 3.200 20 0 EGADMP O=C1CCC(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000451044328 310157484 /nfs/dbraw/zinc/15/74/84/310157484.db2.gz BHFMRAZPMUWJIK-VQTJNVASSA-N 2 1 326.484 3.200 20 0 EGADMP c1cn(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000453056036 310254728 /nfs/dbraw/zinc/25/47/28/310254728.db2.gz KOCGQNKAFUCZLD-HKBOAZHASA-N 2 1 338.499 3.306 20 0 EGADMP OCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCC1 ZINC000453187807 310263023 /nfs/dbraw/zinc/26/30/23/310263023.db2.gz AOBFWUQSWQICDC-XUVXKRRUSA-N 2 1 328.500 3.182 20 0 EGADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C[NH+](C)C ZINC000453225822 310265382 /nfs/dbraw/zinc/26/53/82/310265382.db2.gz CBVLDGLWLOAXHN-CWJKEVGVSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C[NH+](C)C ZINC000453225822 310265383 /nfs/dbraw/zinc/26/53/83/310265383.db2.gz CBVLDGLWLOAXHN-CWJKEVGVSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C[NH+](C)C ZINC000453225822 310265384 /nfs/dbraw/zinc/26/53/84/310265384.db2.gz CBVLDGLWLOAXHN-CWJKEVGVSA-N 3 1 329.532 3.217 20 0 EGADMP OC1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453228910 310265541 /nfs/dbraw/zinc/26/55/41/310265541.db2.gz ZRLITXXZDHOGAQ-BFGFKNPTSA-N 2 1 328.500 3.180 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCOC3(CCC3)C2)[C@@H](C)C1 ZINC000453310621 310270384 /nfs/dbraw/zinc/27/03/84/310270384.db2.gz FTESBLQJGQXSKT-FHWLQOOXSA-N 2 1 338.536 3.062 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cc(C)ccc2F)[C@H](C)C1 ZINC000453340906 310272083 /nfs/dbraw/zinc/27/20/83/310272083.db2.gz HFEVQMDCCHVUSM-XLIONFOSSA-N 2 1 336.495 3.403 20 0 EGADMP C[C@H]([C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@]2(CCOC2)C1 ZINC000453381829 310273959 /nfs/dbraw/zinc/27/39/59/310273959.db2.gz RIFXWROOWRIJJV-GIVPXCGWSA-N 2 1 328.500 3.400 20 0 EGADMP C[C@H]([C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453381829 310273960 /nfs/dbraw/zinc/27/39/60/310273960.db2.gz RIFXWROOWRIJJV-GIVPXCGWSA-N 2 1 328.500 3.400 20 0 EGADMP C[C@H]([C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000453381829 310273961 /nfs/dbraw/zinc/27/39/61/310273961.db2.gz RIFXWROOWRIJJV-GIVPXCGWSA-N 2 1 328.500 3.400 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CN(Cc2ccccc2)C1 ZINC000453590197 310283242 /nfs/dbraw/zinc/28/32/42/310283242.db2.gz AYMWJHCFBYBFTM-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP Cc1cc(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)cn2cc[nH+]c12 ZINC000455648299 310371241 /nfs/dbraw/zinc/37/12/41/310371241.db2.gz WOLIBMWUOTWIBP-UHFFFAOYSA-N 2 1 331.464 3.225 20 0 EGADMP C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C1=CC[N@@H+](C)CC1 ZINC000455855920 310379788 /nfs/dbraw/zinc/37/97/88/310379788.db2.gz NXSQOSVUDYSNJI-AUUYWEPGSA-N 2 1 342.487 3.007 20 0 EGADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C[C@@H]1C ZINC000455933968 310382747 /nfs/dbraw/zinc/38/27/47/310382747.db2.gz QSQMTRMFMDMWFU-DOXZYTNZSA-N 2 1 344.503 3.182 20 0 EGADMP C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000456211039 310393557 /nfs/dbraw/zinc/39/35/57/310393557.db2.gz XJUTZHNIJQQYDC-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456338897 310399313 /nfs/dbraw/zinc/39/93/13/310399313.db2.gz OLZWIHPGWTZXAP-ROUUACIJSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H](NC(=O)c1ccccc1C[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000487013220 311006829 /nfs/dbraw/zinc/00/68/29/311006829.db2.gz CFVWZIZGTKQCDL-IRXDYDNUSA-N 2 1 343.515 3.131 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000491589907 311186020 /nfs/dbraw/zinc/18/60/20/311186020.db2.gz VIXYILMKWGJHAY-CQSZACIVSA-N 2 1 348.922 3.489 20 0 EGADMP C[C@H](NCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000492353045 311241211 /nfs/dbraw/zinc/24/12/11/311241211.db2.gz QLABYVNVVYVSQU-SVFBPWRDSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](NCC[NH+]1CCC[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492353045 311241212 /nfs/dbraw/zinc/24/12/12/311241212.db2.gz QLABYVNVVYVSQU-SVFBPWRDSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](NCC[NH+]1CCC[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492353045 311241213 /nfs/dbraw/zinc/24/12/13/311241213.db2.gz QLABYVNVVYVSQU-SVFBPWRDSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CCN1CCC[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492353045 311241214 /nfs/dbraw/zinc/24/12/14/311241214.db2.gz QLABYVNVVYVSQU-SVFBPWRDSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CCN1CCC[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492353045 311241215 /nfs/dbraw/zinc/24/12/15/311241215.db2.gz QLABYVNVVYVSQU-SVFBPWRDSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)N(C)C2CCCCC2)C1 ZINC000506471536 312049708 /nfs/dbraw/zinc/04/97/08/312049708.db2.gz CWXKNZSDWAUGJW-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[C@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000508718462 312100759 /nfs/dbraw/zinc/10/07/59/312100759.db2.gz NTSUXHICHXKHHJ-SESVDKBCSA-N 2 1 331.548 3.463 20 0 EGADMP CC(C)C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000508718462 312100760 /nfs/dbraw/zinc/10/07/60/312100760.db2.gz NTSUXHICHXKHHJ-SESVDKBCSA-N 3 1 331.548 3.463 20 0 EGADMP CC(C)C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000508718462 312100762 /nfs/dbraw/zinc/10/07/62/312100762.db2.gz NTSUXHICHXKHHJ-SESVDKBCSA-N 3 1 331.548 3.463 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000513476582 312211140 /nfs/dbraw/zinc/21/11/40/312211140.db2.gz OBBQYPLGTNNENR-INIZCTEOSA-N 2 1 349.485 3.361 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000515385743 312280478 /nfs/dbraw/zinc/28/04/78/312280478.db2.gz ALVFIODBOZCESO-HOJAQTOUSA-N 2 1 349.563 3.397 20 0 EGADMP CC[C@@H]1CCC[C@@H](C[NH+]2CCC([NH+](CCOC)CCOC)CC2)C1 ZINC000517057878 312361496 /nfs/dbraw/zinc/36/14/96/312361496.db2.gz XMILXIRDORNJGE-RTBURBONSA-N 2 1 340.552 3.262 20 0 EGADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000528388917 313081510 /nfs/dbraw/zinc/08/15/10/313081510.db2.gz RSZJIBNHILXKTN-UXHICEINSA-N 2 1 334.479 3.334 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+](CC3(O)CCC(c4ccccc4)CC3)C2)C1 ZINC000528510590 313108632 /nfs/dbraw/zinc/10/86/32/313108632.db2.gz AVDVNWRVEIUSCU-NYLDSWQDSA-N 2 1 328.500 3.103 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](CC3(O)CCC(c4ccccc4)CC3)C2)C1 ZINC000528510590 313108637 /nfs/dbraw/zinc/10/86/37/313108637.db2.gz AVDVNWRVEIUSCU-NYLDSWQDSA-N 2 1 328.500 3.103 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC3(O)CCC(c4ccccc4)CC3)C2)C1 ZINC000528510590 313108639 /nfs/dbraw/zinc/10/86/39/313108639.db2.gz AVDVNWRVEIUSCU-NYLDSWQDSA-N 2 1 328.500 3.103 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528731287 313158162 /nfs/dbraw/zinc/15/81/62/313158162.db2.gz SUTNGCJGAYSXDH-HXUWFJFHSA-N 2 1 325.456 3.441 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528731287 313158166 /nfs/dbraw/zinc/15/81/66/313158166.db2.gz SUTNGCJGAYSXDH-HXUWFJFHSA-N 2 1 325.456 3.441 20 0 EGADMP COC(=O)c1oc([C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1C ZINC000537037165 314157961 /nfs/dbraw/zinc/15/79/61/314157961.db2.gz RBIZWSFUIQBACA-HNNXBMFYSA-N 2 1 336.476 3.488 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2ccccc2Br)CC1 ZINC000537093908 314161080 /nfs/dbraw/zinc/16/10/80/314161080.db2.gz GLMOIXVSOYRIBR-CYBMUJFWSA-N 2 1 325.294 3.454 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000537095600 314161217 /nfs/dbraw/zinc/16/12/17/314161217.db2.gz GUNKOHYENQCAKY-ZIFCJYIRSA-N 2 1 326.488 3.371 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1 ZINC000537965936 314220171 /nfs/dbraw/zinc/22/01/71/314220171.db2.gz MKXVAZONEKJYEG-HZPDHXFCSA-N 2 1 328.460 3.143 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)cc2C)[C@@H](C)C1 ZINC000537963664 314220246 /nfs/dbraw/zinc/22/02/46/314220246.db2.gz ROWZOPVIKANSHK-PXNSSMCTSA-N 2 1 334.504 3.230 20 0 EGADMP C[C@H]1C[C@@H](CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000539041489 314291075 /nfs/dbraw/zinc/29/10/75/314291075.db2.gz LHLBLNDGZWIESO-KOUHRCEDSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@H]1C[C@@H](CC[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000539041489 314291077 /nfs/dbraw/zinc/29/10/77/314291077.db2.gz LHLBLNDGZWIESO-KOUHRCEDSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@H]1C[C@@H](CC[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000539041489 314291079 /nfs/dbraw/zinc/29/10/79/314291079.db2.gz LHLBLNDGZWIESO-KOUHRCEDSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@H]1C[C@@H](CC[NH2+][C@@H]2CCN(C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000539041489 314291081 /nfs/dbraw/zinc/29/10/81/314291081.db2.gz LHLBLNDGZWIESO-KOUHRCEDSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]1C[C@@H](CC[NH2+][C@@H]2CCN(C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000539041489 314291084 /nfs/dbraw/zinc/29/10/84/314291084.db2.gz LHLBLNDGZWIESO-KOUHRCEDSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000539063334 314294081 /nfs/dbraw/zinc/29/40/81/314294081.db2.gz AKPOCJHTPFQBBZ-GDBMZVCRSA-N 2 1 344.528 3.195 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000539063334 314294086 /nfs/dbraw/zinc/29/40/86/314294086.db2.gz AKPOCJHTPFQBBZ-GDBMZVCRSA-N 2 1 344.528 3.195 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N[C@H](C)C(C)C)CC1)CC(C)C ZINC000539096270 314295843 /nfs/dbraw/zinc/29/58/43/314295843.db2.gz BXXDPIIATYQBOC-GOSISDBHSA-N 2 1 339.568 3.227 20 0 EGADMP CCCCO[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1(C)C ZINC000539497441 314317031 /nfs/dbraw/zinc/31/70/31/314317031.db2.gz WOYRSDSVEIDIRM-ZWKOTPCHSA-N 2 1 338.536 3.205 20 0 EGADMP Cc1cncc([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000546645744 314843313 /nfs/dbraw/zinc/84/33/13/314843313.db2.gz QJEKSVFQBDFDKN-WIYYLYMNSA-N 2 1 338.499 3.029 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)NC2CCCC2)CC1)CC(C)C ZINC000552647711 315226877 /nfs/dbraw/zinc/22/68/77/315226877.db2.gz ABNIAPZZGKPNMG-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[NH2+]CCC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000553976368 315291800 /nfs/dbraw/zinc/29/18/00/315291800.db2.gz AFVGZZWQKJAKBR-KRWDZBQOSA-N 2 1 331.504 3.065 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000555571988 315391720 /nfs/dbraw/zinc/39/17/20/315391720.db2.gz HCPWRDKRXNLZHQ-IBGZPJMESA-N 2 1 334.479 3.381 20 0 EGADMP CC(C)[NH2+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000564201071 316122886 /nfs/dbraw/zinc/12/28/86/316122886.db2.gz PIFOGZCZHVXTMT-NJDAHSKKSA-N 2 1 329.532 3.407 20 0 EGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000564201071 316122888 /nfs/dbraw/zinc/12/28/88/316122888.db2.gz PIFOGZCZHVXTMT-NJDAHSKKSA-N 3 1 329.532 3.407 20 0 EGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000564201071 316122890 /nfs/dbraw/zinc/12/28/90/316122890.db2.gz PIFOGZCZHVXTMT-NJDAHSKKSA-N 3 1 329.532 3.407 20 0 EGADMP CC1CCC(O)(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000564375489 316144158 /nfs/dbraw/zinc/14/41/58/316144158.db2.gz ALMUXBHIFDOQMB-MOBXORJESA-N 2 1 342.527 3.382 20 0 EGADMP CC1CCC(O)(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000564375489 316144160 /nfs/dbraw/zinc/14/41/60/316144160.db2.gz ALMUXBHIFDOQMB-MOBXORJESA-N 2 1 342.527 3.382 20 0 EGADMP CC1CCC(O)(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000564375489 316144165 /nfs/dbraw/zinc/14/41/65/316144165.db2.gz ALMUXBHIFDOQMB-MOBXORJESA-N 2 1 342.527 3.382 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C[C@H]1C ZINC000564459658 316155822 /nfs/dbraw/zinc/15/58/22/316155822.db2.gz LVBSBGUUTNKGSX-HBFSDRIKSA-N 2 1 345.531 3.285 20 0 EGADMP Oc1cc(F)cc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000564507291 316159949 /nfs/dbraw/zinc/15/99/49/316159949.db2.gz ULUOPPQGRVVGOP-RBUKOAKNSA-N 2 1 340.442 3.485 20 0 EGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000565313096 316308020 /nfs/dbraw/zinc/30/80/20/316308020.db2.gz ZQHOAFDNVZKTLA-FUHWJXTLSA-N 2 1 337.467 3.494 20 0 EGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000565899764 316385530 /nfs/dbraw/zinc/38/55/30/316385530.db2.gz BVDVFSNTKYQNOR-GOSISDBHSA-N 2 1 337.471 3.175 20 0 EGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000565899764 316385535 /nfs/dbraw/zinc/38/55/35/316385535.db2.gz BVDVFSNTKYQNOR-GOSISDBHSA-N 2 1 337.471 3.175 20 0 EGADMP CC[C@]1(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCC[NH2+]1 ZINC000569849868 316972920 /nfs/dbraw/zinc/97/29/20/316972920.db2.gz GCSRSXJKAANHPG-IEBWSBKVSA-N 2 1 349.906 3.125 20 0 EGADMP CN(CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000571557217 317217064 /nfs/dbraw/zinc/21/70/64/317217064.db2.gz VPJARJMYXOGLFR-RXVVDRJESA-N 2 1 327.516 3.462 20 0 EGADMP CN(CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000571557217 317217067 /nfs/dbraw/zinc/21/70/67/317217067.db2.gz VPJARJMYXOGLFR-RXVVDRJESA-N 2 1 327.516 3.462 20 0 EGADMP CN(CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000571557217 317217070 /nfs/dbraw/zinc/21/70/70/317217070.db2.gz VPJARJMYXOGLFR-RXVVDRJESA-N 2 1 327.516 3.462 20 0 EGADMP CN(CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000571557217 317217072 /nfs/dbraw/zinc/21/70/72/317217072.db2.gz VPJARJMYXOGLFR-RXVVDRJESA-N 2 1 327.516 3.462 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000571699287 317234755 /nfs/dbraw/zinc/23/47/55/317234755.db2.gz YCJXUQMJPKRCQI-NSHDSACASA-N 2 1 343.397 3.079 20 0 EGADMP C[C@@H]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000382720138 324252771 /nfs/dbraw/zinc/25/27/71/324252771.db2.gz LICUSGFVNVATTD-HOJAQTOUSA-N 2 1 343.515 3.017 20 0 EGADMP CN(Cc1ccccc1)C1(C[NH2+]C2CCN(C3CC3)CC2)CCC1 ZINC000387317031 324271045 /nfs/dbraw/zinc/27/10/45/324271045.db2.gz BYTUKFDGOXEUEZ-UHFFFAOYSA-N 2 1 327.516 3.258 20 0 EGADMP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]CCCc1c[nH+]cn1C ZINC000398140446 324295873 /nfs/dbraw/zinc/29/58/73/324295873.db2.gz WEJIJEAZZULKPR-FQEVSTJZSA-N 2 1 328.504 3.099 20 0 EGADMP Cc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000417948340 324302809 /nfs/dbraw/zinc/30/28/09/324302809.db2.gz HOTVJNUYWCCDRD-IEBWSBKVSA-N 2 1 326.488 3.119 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000579715144 325149575 /nfs/dbraw/zinc/14/95/75/325149575.db2.gz QOJPSTRBBJRNGY-XLIONFOSSA-N 2 1 343.515 3.209 20 0 EGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000579986893 325186994 /nfs/dbraw/zinc/18/69/94/325186994.db2.gz HLJGIWKHEWXJPS-QGZVFWFLSA-N 2 1 345.531 3.031 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000580427258 325248836 /nfs/dbraw/zinc/24/88/36/325248836.db2.gz MDQVKVWYRZILKV-XJKSGUPXSA-N 2 1 330.394 3.400 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000580427258 325248838 /nfs/dbraw/zinc/24/88/38/325248838.db2.gz MDQVKVWYRZILKV-XJKSGUPXSA-N 2 1 330.394 3.400 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000580427258 325248840 /nfs/dbraw/zinc/24/88/40/325248840.db2.gz MDQVKVWYRZILKV-XJKSGUPXSA-N 2 1 330.394 3.400 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000580427258 325248842 /nfs/dbraw/zinc/24/88/42/325248842.db2.gz MDQVKVWYRZILKV-XJKSGUPXSA-N 2 1 330.394 3.400 20 0 EGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000580827862 325299370 /nfs/dbraw/zinc/29/93/70/325299370.db2.gz XCAPOSQTKXSVLH-RBUKOAKNSA-N 2 1 338.455 3.084 20 0 EGADMP CC[N@@H+](C)C[C@H](O)CN[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000581556032 325371528 /nfs/dbraw/zinc/37/15/28/325371528.db2.gz KLCARYQPIZLALI-HZPDHXFCSA-N 2 1 332.410 3.305 20 0 EGADMP CCN(C)C[C@H](O)C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000581556032 325371531 /nfs/dbraw/zinc/37/15/31/325371531.db2.gz KLCARYQPIZLALI-HZPDHXFCSA-N 2 1 332.410 3.305 20 0 EGADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000581556032 325371532 /nfs/dbraw/zinc/37/15/32/325371532.db2.gz KLCARYQPIZLALI-HZPDHXFCSA-N 2 1 332.410 3.305 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000581556032 325371534 /nfs/dbraw/zinc/37/15/34/325371534.db2.gz KLCARYQPIZLALI-HZPDHXFCSA-N 2 1 332.410 3.305 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000581879867 325395795 /nfs/dbraw/zinc/39/57/95/325395795.db2.gz CRLMEZSQIPFYEH-VDZJLULYSA-N 2 1 336.907 3.411 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000581879867 325395796 /nfs/dbraw/zinc/39/57/96/325395796.db2.gz CRLMEZSQIPFYEH-VDZJLULYSA-N 2 1 336.907 3.411 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2cccs2)C[C@@H]1n1ccnc1 ZINC000180720105 455233376 /nfs/dbraw/zinc/23/33/76/455233376.db2.gz RYTGPVBQFBDUEE-ZBFHGGJFSA-N 2 1 341.484 3.428 20 0 EGADMP CC1CC[NH+](CCC[NH2+]Cc2cncc(Br)c2)CC1 ZINC000157846388 455238754 /nfs/dbraw/zinc/23/87/54/455238754.db2.gz KWXRWIHFXDJCAA-UHFFFAOYSA-N 2 1 326.282 3.056 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000264592720 455244329 /nfs/dbraw/zinc/24/43/29/455244329.db2.gz RBWUQHXBMOBRAU-LJQANCHMSA-N 2 1 325.456 3.380 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000264592720 455244332 /nfs/dbraw/zinc/24/43/32/455244332.db2.gz RBWUQHXBMOBRAU-LJQANCHMSA-N 2 1 325.456 3.380 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(Br)c1 ZINC000173318129 455265063 /nfs/dbraw/zinc/26/50/63/455265063.db2.gz QWDXBOAQFJOAQF-CYBMUJFWSA-N 2 1 329.282 3.068 20 0 EGADMP CC[C@@H](c1ccc(F)cc1F)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180941647 455267081 /nfs/dbraw/zinc/26/70/81/455267081.db2.gz OELWMGFDBITJGA-IBGZPJMESA-N 2 1 339.474 3.374 20 0 EGADMP CC[C@@H](c1ccc(F)cc1F)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180941647 455267084 /nfs/dbraw/zinc/26/70/84/455267084.db2.gz OELWMGFDBITJGA-IBGZPJMESA-N 2 1 339.474 3.374 20 0 EGADMP CC(C)CC[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000158125628 455271818 /nfs/dbraw/zinc/27/18/18/455271818.db2.gz BKYDPNKSTNLNLG-IBGZPJMESA-N 2 1 337.552 3.266 20 0 EGADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000158149393 455274734 /nfs/dbraw/zinc/27/47/34/455274734.db2.gz NLEGMLQCBVDCBV-GOEBONIOSA-N 2 1 330.451 3.312 20 0 EGADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000158149393 455274738 /nfs/dbraw/zinc/27/47/38/455274738.db2.gz NLEGMLQCBVDCBV-GOEBONIOSA-N 2 1 330.451 3.312 20 0 EGADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000158233613 455282883 /nfs/dbraw/zinc/28/28/83/455282883.db2.gz AZTVGBZPRAEXEO-CHWSQXEVSA-N 2 1 326.868 3.350 20 0 EGADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000158233613 455282885 /nfs/dbraw/zinc/28/28/85/455282885.db2.gz AZTVGBZPRAEXEO-CHWSQXEVSA-N 2 1 326.868 3.350 20 0 EGADMP CC[NH+](CC)CCCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000081724985 453905567 /nfs/dbraw/zinc/90/55/67/453905567.db2.gz VYYIDVDQOMFFGR-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP CC[NH+](CC)CCCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000081724985 453905568 /nfs/dbraw/zinc/90/55/68/453905568.db2.gz VYYIDVDQOMFFGR-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000076003228 453947808 /nfs/dbraw/zinc/94/78/08/453947808.db2.gz VFFANQZXNZSTLQ-INIZCTEOSA-N 2 1 344.455 3.383 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000076003228 453947809 /nfs/dbraw/zinc/94/78/09/453947809.db2.gz VFFANQZXNZSTLQ-INIZCTEOSA-N 2 1 344.455 3.383 20 0 EGADMP C(CC[N@H+]1CCCO[C@H]2CCC[C@@H]21)C[NH+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000077316992 454089983 /nfs/dbraw/zinc/08/99/83/454089983.db2.gz IFBXPPGHDLXSJB-LWYYNNOASA-N 2 1 336.520 3.053 20 0 EGADMP C(CC[N@@H+]1CCCO[C@@H]2CCC[C@@H]21)C[NH+]1CCCO[C@H]2CCC[C@@H]21 ZINC000077316992 454089984 /nfs/dbraw/zinc/08/99/84/454089984.db2.gz IFBXPPGHDLXSJB-LWYYNNOASA-N 2 1 336.520 3.053 20 0 EGADMP C(CC[N@H+]1CCCO[C@@H]2CCC[C@@H]21)C[NH+]1CCCO[C@H]2CCC[C@@H]21 ZINC000077316992 454089985 /nfs/dbraw/zinc/08/99/85/454089985.db2.gz IFBXPPGHDLXSJB-LWYYNNOASA-N 2 1 336.520 3.053 20 0 EGADMP CC(C)C[C@H]1CCCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000077364546 454097556 /nfs/dbraw/zinc/09/75/56/454097556.db2.gz NHJHYEACCHUFDX-LJQANCHMSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccn1 ZINC000119778017 454219040 /nfs/dbraw/zinc/21/90/40/454219040.db2.gz LSBZRSQXDNRNLE-HNNXBMFYSA-N 2 1 344.484 3.485 20 0 EGADMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H]1CCNC(=O)CC1)C1CCCCC1 ZINC000634954918 460628058 /nfs/dbraw/zinc/62/80/58/460628058.db2.gz RFLQUWGIQSRGRR-IBGZPJMESA-N 2 1 343.515 3.209 20 0 EGADMP FC(F)(F)Oc1ccccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090234732 454296862 /nfs/dbraw/zinc/29/68/62/454296862.db2.gz ZYPQUBDBLNGKMF-HUUCEWRRSA-N 2 1 328.378 3.344 20 0 EGADMP CCc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000132767980 454364529 /nfs/dbraw/zinc/36/45/29/454364529.db2.gz YUYFNUTUHTZHAV-UKRRQHHQSA-N 2 1 337.533 3.165 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C(C)(C)C)CC1 ZINC000132784426 454365059 /nfs/dbraw/zinc/36/50/59/454365059.db2.gz FDNXLOSHCLKNEY-UHFFFAOYSA-N 2 1 349.494 3.027 20 0 EGADMP CC(C)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCCC1 ZINC000133015989 454385064 /nfs/dbraw/zinc/38/50/64/454385064.db2.gz VMGYJLFDADWUQS-JBACZVJFSA-N 2 1 344.547 3.002 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000121499465 454442882 /nfs/dbraw/zinc/44/28/82/454442882.db2.gz JVUVUWDEXVGJIL-IRXDYDNUSA-N 2 1 337.471 3.423 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000133650803 454450858 /nfs/dbraw/zinc/45/08/58/454450858.db2.gz IZSQWDAIDZTJNK-WWGRRREGSA-N 2 1 341.293 3.146 20 0 EGADMP C[C@H](c1ccccn1)[N@@H+](C)CCOCC[NH+](C)[C@@H](C)c1ccccn1 ZINC000091702879 454460048 /nfs/dbraw/zinc/46/00/48/454460048.db2.gz TTZLDAFHGWADDU-HDICACEKSA-N 2 1 342.487 3.179 20 0 EGADMP C[C@H](c1ccccn1)[NH+](C)CCOCC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000091702879 454460056 /nfs/dbraw/zinc/46/00/56/454460056.db2.gz TTZLDAFHGWADDU-HDICACEKSA-N 2 1 342.487 3.179 20 0 EGADMP C[C@H](c1ccccn1)[NH+](C)CCOCC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000091702879 454460064 /nfs/dbraw/zinc/46/00/64/454460064.db2.gz TTZLDAFHGWADDU-HDICACEKSA-N 2 1 342.487 3.179 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(CC)nn(C)c2CC)CC1 ZINC000134178016 454512650 /nfs/dbraw/zinc/51/26/50/454512650.db2.gz KBCDCMQINXZDAE-UHFFFAOYSA-N 2 1 334.552 3.489 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000122455379 454535075 /nfs/dbraw/zinc/53/50/75/454535075.db2.gz IHKNWSJFQVNVNR-ZRGWGRIASA-N 2 1 329.488 3.244 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000122455379 454535080 /nfs/dbraw/zinc/53/50/80/454535080.db2.gz IHKNWSJFQVNVNR-ZRGWGRIASA-N 2 1 329.488 3.244 20 0 EGADMP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1F ZINC000134859990 454599308 /nfs/dbraw/zinc/59/93/08/454599308.db2.gz GZZBRDLHVAHXQL-DNVCBOLYSA-N 2 1 345.462 3.103 20 0 EGADMP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1F ZINC000134859990 454599314 /nfs/dbraw/zinc/59/93/14/454599314.db2.gz GZZBRDLHVAHXQL-DNVCBOLYSA-N 2 1 345.462 3.103 20 0 EGADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1F ZINC000134859990 454599319 /nfs/dbraw/zinc/59/93/19/454599319.db2.gz GZZBRDLHVAHXQL-DNVCBOLYSA-N 2 1 345.462 3.103 20 0 EGADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1F ZINC000134859990 454599324 /nfs/dbraw/zinc/59/93/24/454599324.db2.gz GZZBRDLHVAHXQL-DNVCBOLYSA-N 2 1 345.462 3.103 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)CC3 ZINC000123087195 454600352 /nfs/dbraw/zinc/60/03/52/454600352.db2.gz PLWQAASBOGRAQS-CABCVRRESA-N 2 1 339.483 3.108 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000105476293 454640629 /nfs/dbraw/zinc/64/06/29/454640629.db2.gz PAQHTKHGWLVQIO-UHFFFAOYSA-N 2 1 330.303 3.111 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000052077486 454655065 /nfs/dbraw/zinc/65/50/65/454655065.db2.gz VBMZANBBBNAQKR-SFHVURJKSA-N 2 1 349.906 3.077 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000052077486 454655071 /nfs/dbraw/zinc/65/50/71/454655071.db2.gz VBMZANBBBNAQKR-SFHVURJKSA-N 2 1 349.906 3.077 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCn1cc[nH+]c1C ZINC000052119946 454655894 /nfs/dbraw/zinc/65/58/94/454655894.db2.gz SBNYCBVLJVEIAZ-UHFFFAOYSA-N 2 1 343.862 3.437 20 0 EGADMP COc1ccccc1[C@H](CNC(=[NH2+])Nc1ccccc1)[NH+]1CCCC1 ZINC000066242310 454671698 /nfs/dbraw/zinc/67/16/98/454671698.db2.gz NDCISMBPYZVNCW-SFHVURJKSA-N 2 1 338.455 3.469 20 0 EGADMP CC(C)C[C@H]1CCCCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093563479 454721180 /nfs/dbraw/zinc/72/11/80/454721180.db2.gz QSTVAPPBJIVTOY-LJQANCHMSA-N 2 1 345.535 3.019 20 0 EGADMP CC(C)C[C@H]1CCCCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093563479 454721181 /nfs/dbraw/zinc/72/11/81/454721181.db2.gz QSTVAPPBJIVTOY-LJQANCHMSA-N 2 1 345.535 3.019 20 0 EGADMP CCOC[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093839101 454739187 /nfs/dbraw/zinc/73/91/87/454739187.db2.gz QPOWOJRBYXJEJU-SFHVURJKSA-N 2 1 345.531 3.075 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000176494890 454751675 /nfs/dbraw/zinc/75/16/75/454751675.db2.gz BWIYZXTYWKCMNP-FUHIMQAGSA-N 2 1 326.488 3.253 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124688213 454760818 /nfs/dbraw/zinc/76/08/18/454760818.db2.gz DSUNOAMJWIFKFP-PRKQWTSCSA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000124688213 454760821 /nfs/dbraw/zinc/76/08/21/454760821.db2.gz DSUNOAMJWIFKFP-PRKQWTSCSA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000124688213 454760825 /nfs/dbraw/zinc/76/08/25/454760825.db2.gz DSUNOAMJWIFKFP-PRKQWTSCSA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000635011579 460653646 /nfs/dbraw/zinc/65/36/46/460653646.db2.gz QYJLOGVNFWHAJC-GCJKJVERSA-N 3 1 349.522 3.475 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000635011579 460653653 /nfs/dbraw/zinc/65/36/53/460653653.db2.gz QYJLOGVNFWHAJC-GCJKJVERSA-N 3 1 349.522 3.475 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cncc(F)c3)CC2)oc1C ZINC000162769811 454799516 /nfs/dbraw/zinc/79/95/16/454799516.db2.gz CXEZSOOTDFCQRA-AWEZNQCLSA-N 2 1 346.450 3.388 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3cccc(Cl)c3)CC[C@@H]21 ZINC000162805227 454801176 /nfs/dbraw/zinc/80/11/76/454801176.db2.gz WHKSMGGALAUVLN-PBHICJAKSA-N 2 1 335.879 3.085 20 0 EGADMP C[C@H](N[C@H]1CC[N@H+](C2CCCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000153713691 454823857 /nfs/dbraw/zinc/82/38/57/454823857.db2.gz CISTVZYITFGOPD-HKUYNNGSSA-N 2 1 345.531 3.295 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(C2CCCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000153713691 454823861 /nfs/dbraw/zinc/82/38/61/454823861.db2.gz CISTVZYITFGOPD-HKUYNNGSSA-N 2 1 345.531 3.295 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000164603484 454886564 /nfs/dbraw/zinc/88/65/64/454886564.db2.gz LEHJMHRGNOAAHD-HNNXBMFYSA-N 2 1 342.443 3.279 20 0 EGADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000154365558 454888858 /nfs/dbraw/zinc/88/88/58/454888858.db2.gz BDEHOWOVUMIRJK-GOSISDBHSA-N 2 1 325.447 3.033 20 0 EGADMP CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(Cl)ccc1Cl ZINC000126433574 454893281 /nfs/dbraw/zinc/89/32/81/454893281.db2.gz PMVQAZJRTHNYQB-UHFFFAOYSA-N 2 1 344.330 3.451 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000154470942 454899704 /nfs/dbraw/zinc/89/97/04/454899704.db2.gz KJDKUCKGJULLSV-SFHVURJKSA-N 2 1 329.532 3.244 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2cc1C ZINC000150841650 454900626 /nfs/dbraw/zinc/90/06/26/454900626.db2.gz FGVZOVAPCDTHNP-QGZVFWFLSA-N 2 1 340.467 3.328 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2cc1C ZINC000150841650 454900632 /nfs/dbraw/zinc/90/06/32/454900632.db2.gz FGVZOVAPCDTHNP-QGZVFWFLSA-N 2 1 340.467 3.328 20 0 EGADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C)c1ccccc1 ZINC000165991088 454906985 /nfs/dbraw/zinc/90/69/85/454906985.db2.gz QFMSBJWOWYSDJT-YXYSEUPNSA-N 2 1 347.547 3.014 20 0 EGADMP COCC[NH+](C)CC[C@H](N[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000165991088 454906989 /nfs/dbraw/zinc/90/69/89/454906989.db2.gz QFMSBJWOWYSDJT-YXYSEUPNSA-N 2 1 347.547 3.014 20 0 EGADMP COCC[NH+](C)CC[C@H](N[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000165991088 454906991 /nfs/dbraw/zinc/90/69/91/454906991.db2.gz QFMSBJWOWYSDJT-YXYSEUPNSA-N 3 1 347.547 3.014 20 0 EGADMP c1ccc(COc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)nc1 ZINC000126656189 454908827 /nfs/dbraw/zinc/90/88/27/454908827.db2.gz PYAWNVOMTQDVEW-AZUAARDMSA-N 2 1 337.467 3.377 20 0 EGADMP c1ccc(COc2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)nc1 ZINC000126656189 454908831 /nfs/dbraw/zinc/90/88/31/454908831.db2.gz PYAWNVOMTQDVEW-AZUAARDMSA-N 2 1 337.467 3.377 20 0 EGADMP Cc1noc(C)c1CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000166205336 454909460 /nfs/dbraw/zinc/90/94/60/454909460.db2.gz ZVAJRNYBAOQJAK-IBGZPJMESA-N 2 1 327.472 3.288 20 0 EGADMP Cc1noc(C)c1CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000166205336 454909467 /nfs/dbraw/zinc/90/94/67/454909467.db2.gz ZVAJRNYBAOQJAK-IBGZPJMESA-N 2 1 327.472 3.288 20 0 EGADMP Cc1noc(C)c1CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000166205336 454909473 /nfs/dbraw/zinc/90/94/73/454909473.db2.gz ZVAJRNYBAOQJAK-IBGZPJMESA-N 2 1 327.472 3.288 20 0 EGADMP Cc1noc(C)c1CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000166205336 454909478 /nfs/dbraw/zinc/90/94/78/454909478.db2.gz ZVAJRNYBAOQJAK-IBGZPJMESA-N 2 1 327.472 3.288 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)c2cccnc12 ZINC000166551835 454913921 /nfs/dbraw/zinc/91/39/21/454913921.db2.gz TXKRRIBWGJEHQK-VXGBXAGGSA-N 2 1 334.261 3.166 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Br)c2cccnc12 ZINC000166551835 454913922 /nfs/dbraw/zinc/91/39/22/454913922.db2.gz TXKRRIBWGJEHQK-VXGBXAGGSA-N 2 1 334.261 3.166 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cccnc1Oc1cccc(F)c1 ZINC000154689011 454919744 /nfs/dbraw/zinc/91/97/44/454919744.db2.gz XAJOUGZDMSVMDV-KSSFIOAISA-N 2 1 329.419 3.443 20 0 EGADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000154689011 454919747 /nfs/dbraw/zinc/91/97/47/454919747.db2.gz XAJOUGZDMSVMDV-KSSFIOAISA-N 2 1 329.419 3.443 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000113516113 454928528 /nfs/dbraw/zinc/92/85/28/454928528.db2.gz YLPYRLDICZJNMP-SFHVURJKSA-N 2 1 325.456 3.044 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000113516113 454928533 /nfs/dbraw/zinc/92/85/33/454928533.db2.gz YLPYRLDICZJNMP-SFHVURJKSA-N 2 1 325.456 3.044 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000151103646 454938493 /nfs/dbraw/zinc/93/84/93/454938493.db2.gz CDWWSPJLXJZJOO-LSDHHAIUSA-N 2 1 329.488 3.299 20 0 EGADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000154987489 454951342 /nfs/dbraw/zinc/95/13/42/454951342.db2.gz WENZVFFFCWGXPJ-MNOVXSKESA-N 2 1 336.332 3.341 20 0 EGADMP C[N@@H+](CCC[NH2+]C1CCN(c2ccccn2)CC1)C1CCCCC1 ZINC000127453668 454966352 /nfs/dbraw/zinc/96/63/52/454966352.db2.gz MWGGHAHXGRRVQN-UHFFFAOYSA-N 2 1 330.520 3.295 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000155370106 454992481 /nfs/dbraw/zinc/99/24/81/454992481.db2.gz XOQPTQXJQNWYOJ-WQGACYEGSA-N 2 1 343.284 3.449 20 0 EGADMP Brc1ccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000128114001 455026737 /nfs/dbraw/zinc/02/67/37/455026737.db2.gz ZCOUMQSWDNKCGA-LSDHHAIUSA-N 2 1 339.277 3.044 20 0 EGADMP CC[C@@H](NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000151802005 455032804 /nfs/dbraw/zinc/03/28/04/455032804.db2.gz ZNYOPLONPFBLSU-LEWJYISDSA-N 2 1 342.458 3.286 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623655340 460661517 /nfs/dbraw/zinc/66/15/17/460661517.db2.gz VEOREBSQKXQCNW-HXUWFJFHSA-N 2 1 340.515 3.370 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623655340 460661521 /nfs/dbraw/zinc/66/15/21/460661521.db2.gz VEOREBSQKXQCNW-HXUWFJFHSA-N 2 1 340.515 3.370 20 0 EGADMP C[C@@H](C[NH+]1CCCCC1)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000151856072 455040133 /nfs/dbraw/zinc/04/01/33/455040133.db2.gz YZAGSEKHAGRYGB-ROUUACIJSA-N 2 1 333.520 3.152 20 0 EGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC[N@@H+]1C ZINC000179524929 455054897 /nfs/dbraw/zinc/05/48/97/455054897.db2.gz JUQVRNOFAVIEOS-BFHYXJOUSA-N 2 1 325.859 3.130 20 0 EGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC[N@H+]1C ZINC000179524929 455054899 /nfs/dbraw/zinc/05/48/99/455054899.db2.gz JUQVRNOFAVIEOS-BFHYXJOUSA-N 2 1 325.859 3.130 20 0 EGADMP COC(=O)[C@@H](C)[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccccc1 ZINC000129196024 455101674 /nfs/dbraw/zinc/10/16/74/455101674.db2.gz PENDGSXFWLHZPC-YJBOKZPZSA-N 2 1 329.444 3.112 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(SC)cc1OC ZINC000623656218 460662892 /nfs/dbraw/zinc/66/28/92/460662892.db2.gz PGHKXVWOBYKJQU-AWEZNQCLSA-N 2 1 338.517 3.247 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(SC)cc1OC ZINC000623656218 460662896 /nfs/dbraw/zinc/66/28/96/460662896.db2.gz PGHKXVWOBYKJQU-AWEZNQCLSA-N 2 1 338.517 3.247 20 0 EGADMP C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843483 455115400 /nfs/dbraw/zinc/11/54/00/455115400.db2.gz AXZVJQPAUFMSAA-LJQANCHMSA-N 2 1 339.483 3.434 20 0 EGADMP C[NH+](Cc1ccc(OCc2ccccn2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843483 455115404 /nfs/dbraw/zinc/11/54/04/455115404.db2.gz AXZVJQPAUFMSAA-LJQANCHMSA-N 2 1 339.483 3.434 20 0 EGADMP C[NH+](Cc1ccc(OCc2ccccn2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843483 455115408 /nfs/dbraw/zinc/11/54/08/455115408.db2.gz AXZVJQPAUFMSAA-LJQANCHMSA-N 2 1 339.483 3.434 20 0 EGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000623655423 460663183 /nfs/dbraw/zinc/66/31/83/460663183.db2.gz XERKFLJUMJNCBH-CYBMUJFWSA-N 2 1 329.257 3.410 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000623655423 460663186 /nfs/dbraw/zinc/66/31/86/460663186.db2.gz XERKFLJUMJNCBH-CYBMUJFWSA-N 2 1 329.257 3.410 20 0 EGADMP CCO[C@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@H](OCC)C2)C1 ZINC000119029858 455121567 /nfs/dbraw/zinc/12/15/67/455121567.db2.gz CEQXIKLOXRKGBV-OALUTQOASA-N 2 1 326.525 3.159 20 0 EGADMP CCOc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)CCOCC2)cc1 ZINC000152458979 455122014 /nfs/dbraw/zinc/12/20/14/455122014.db2.gz MCPGBGIXBUUHFP-PXNSSMCTSA-N 2 1 346.515 3.063 20 0 EGADMP CCN(Cc1ccnn1CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180100210 455131979 /nfs/dbraw/zinc/13/19/79/455131979.db2.gz GLTUSVGVDXKJBH-LJQANCHMSA-N 2 1 326.488 3.247 20 0 EGADMP CC(C)[C@H](CSc1ccccc1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000180212126 455148946 /nfs/dbraw/zinc/14/89/46/455148946.db2.gz XEJDMOGBFWSKLF-IBGZPJMESA-N 2 1 336.545 3.240 20 0 EGADMP CCC[N@H+](CC)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000180275131 455154313 /nfs/dbraw/zinc/15/43/13/455154313.db2.gz GAAUGPCSRYEMMP-ALOPSCKCSA-N 2 1 339.524 3.238 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000180275131 455154314 /nfs/dbraw/zinc/15/43/14/455154314.db2.gz GAAUGPCSRYEMMP-ALOPSCKCSA-N 2 1 339.524 3.238 20 0 EGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189272794 455167785 /nfs/dbraw/zinc/16/77/85/455167785.db2.gz FKKRELRTDZXSPW-MOPGFXCFSA-N 2 1 330.451 3.033 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000237351626 455176207 /nfs/dbraw/zinc/17/62/07/455176207.db2.gz JZQRZKTZKYGKNO-UZLBHIALSA-N 2 1 329.488 3.389 20 0 EGADMP Cc1sc2nc([C@@H](C)[N@@H+](C)CCCn3ccnc3)nc(N)c2c1C ZINC000181117152 455290728 /nfs/dbraw/zinc/29/07/28/455290728.db2.gz GTMVBLWSOKYSBB-GFCCVEGCSA-N 2 1 344.488 3.170 20 0 EGADMP Cc1sc2nc([C@@H](C)N(C)CCCn3ccnc3)nc(N)c2c1C ZINC000181117152 455290731 /nfs/dbraw/zinc/29/07/31/455290731.db2.gz GTMVBLWSOKYSBB-GFCCVEGCSA-N 2 1 344.488 3.170 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000237529966 455192026 /nfs/dbraw/zinc/19/20/26/455192026.db2.gz NQFFHCQCSUMTTI-LPHOPBHVSA-N 2 1 341.499 3.389 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Br)cs1 ZINC000237531147 455192328 /nfs/dbraw/zinc/19/23/28/455192328.db2.gz NNXVXNCGVXYPOY-SNVBAGLBSA-N 2 1 328.279 3.441 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)o1 ZINC000606410876 460666102 /nfs/dbraw/zinc/66/61/02/460666102.db2.gz GHQWZPMEIIEDMC-UHFFFAOYSA-N 2 1 347.503 3.212 20 0 EGADMP Cc1noc(C)c1C[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237620214 455199760 /nfs/dbraw/zinc/19/97/60/455199760.db2.gz PTFRDRRJZDTZCG-GASCZTMLSA-N 2 1 343.471 3.190 20 0 EGADMP FC(F)(F)COc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000237693917 455208281 /nfs/dbraw/zinc/20/82/81/455208281.db2.gz BPKKXHARPAURLM-UHFFFAOYSA-N 2 1 328.378 3.344 20 0 EGADMP C[C@H]1C[C@H]([NH+](C)CCOCC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000189521818 455213150 /nfs/dbraw/zinc/21/31/50/455213150.db2.gz GRCXTIKPVMMEMN-DOTOQJQBSA-N 2 1 326.431 3.253 20 0 EGADMP C[C@H]1C[C@H]([NH+](C)CCOCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000189521818 455213152 /nfs/dbraw/zinc/21/31/52/455213152.db2.gz GRCXTIKPVMMEMN-DOTOQJQBSA-N 2 1 326.431 3.253 20 0 EGADMP C[C@H]1C[C@H]([N@H+](C)CCOCC(F)F)CC[NH+]1Cc1ccccc1 ZINC000189521818 455213157 /nfs/dbraw/zinc/21/31/57/455213157.db2.gz GRCXTIKPVMMEMN-DOTOQJQBSA-N 2 1 326.431 3.253 20 0 EGADMP C[C@H]1C[C@H]([N@@H+](C)CCOCC(F)F)CC[NH+]1Cc1ccccc1 ZINC000189521818 455213160 /nfs/dbraw/zinc/21/31/60/455213160.db2.gz GRCXTIKPVMMEMN-DOTOQJQBSA-N 2 1 326.431 3.253 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000157634220 455215699 /nfs/dbraw/zinc/21/56/99/455215699.db2.gz KRQMQENAJOABDA-LVCYWYKZSA-N 3 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000157634220 455215704 /nfs/dbraw/zinc/21/57/04/455215704.db2.gz KRQMQENAJOABDA-LVCYWYKZSA-N 3 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000157634220 455215706 /nfs/dbraw/zinc/21/57/06/455215706.db2.gz KRQMQENAJOABDA-LVCYWYKZSA-N 3 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000157634220 455215711 /nfs/dbraw/zinc/21/57/11/455215711.db2.gz KRQMQENAJOABDA-LVCYWYKZSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000157634220 455215717 /nfs/dbraw/zinc/21/57/17/455215717.db2.gz KRQMQENAJOABDA-LVCYWYKZSA-N 2 1 329.532 3.348 20 0 EGADMP Cc1ccc([C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)[NH+]2CCCC2)o1 ZINC000245203965 455280840 /nfs/dbraw/zinc/28/08/40/455280840.db2.gz QQFTVYMXCWGIEN-LMSBXDPUSA-N 2 1 347.503 3.102 20 0 EGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183484954 455298725 /nfs/dbraw/zinc/29/87/25/455298725.db2.gz PKNWYEHQWAYPBY-HZPDHXFCSA-N 2 1 327.513 3.096 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183484954 455298731 /nfs/dbraw/zinc/29/87/31/455298731.db2.gz PKNWYEHQWAYPBY-HZPDHXFCSA-N 2 1 327.513 3.096 20 0 EGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC[N@@H+]1C ZINC000181249450 455307406 /nfs/dbraw/zinc/30/74/06/455307406.db2.gz XABASHUGIPSPTK-MELADBBJSA-N 2 1 325.859 3.130 20 0 EGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC[N@H+]1C ZINC000181249450 455307412 /nfs/dbraw/zinc/30/74/12/455307412.db2.gz XABASHUGIPSPTK-MELADBBJSA-N 2 1 325.859 3.130 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)NC2CCCC2)CC1 ZINC000159003620 455345081 /nfs/dbraw/zinc/34/50/81/455345081.db2.gz DNJSZCZPOJJRHU-SFHVURJKSA-N 2 1 349.563 3.412 20 0 EGADMP CCC1(CC)[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C[C@@H]1OC ZINC000181541275 455351999 /nfs/dbraw/zinc/35/19/99/455351999.db2.gz QWCOPGMFJQORLU-SJORKVTESA-N 2 1 328.460 3.259 20 0 EGADMP CCC1(CC)[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C[C@H]1OC ZINC000181541312 455352557 /nfs/dbraw/zinc/35/25/57/455352557.db2.gz QWCOPGMFJQORLU-IAGOWNOFSA-N 2 1 328.460 3.259 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)CC[N@H+]1C ZINC000181596113 455359953 /nfs/dbraw/zinc/35/99/53/455359953.db2.gz NEVVVPLGVOHRKL-BBRMVZONSA-N 2 1 330.394 3.338 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CC2(C[NH3+])CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000184241984 455365843 /nfs/dbraw/zinc/36/58/43/455365843.db2.gz FEJVLALRGLGQCE-MJGOQNOKSA-N 2 1 343.515 3.065 20 0 EGADMP Cc1cncc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000184485993 455388418 /nfs/dbraw/zinc/38/84/18/455388418.db2.gz ALDAYYFXJPBEDL-LAUBAEHRSA-N 2 1 339.483 3.198 20 0 EGADMP CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000191476454 455488893 /nfs/dbraw/zinc/48/88/93/455488893.db2.gz WOGHTBFHZMSRKR-KRWDZBQOSA-N 2 1 348.535 3.243 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000191476454 455488902 /nfs/dbraw/zinc/48/89/02/455488902.db2.gz WOGHTBFHZMSRKR-KRWDZBQOSA-N 2 1 348.535 3.243 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC000191496852 455490859 /nfs/dbraw/zinc/49/08/59/455490859.db2.gz SGUWAZGUEYBUDE-FQEVSTJZSA-N 2 1 347.572 3.193 20 0 EGADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000182531763 455534900 /nfs/dbraw/zinc/53/49/00/455534900.db2.gz FNVHVJOHNKBUJJ-MRXNPFEDSA-N 2 1 332.488 3.145 20 0 EGADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000182531763 455534905 /nfs/dbraw/zinc/53/49/05/455534905.db2.gz FNVHVJOHNKBUJJ-MRXNPFEDSA-N 2 1 332.488 3.145 20 0 EGADMP c1c[nH]c([C@H]2CCC[NH+]2CCOCC[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000267476378 455551664 /nfs/dbraw/zinc/55/16/64/455551664.db2.gz ZHAWNQKVWPWZJK-WOJBJXKFSA-N 2 1 342.487 3.333 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccc(OC)cc3)CCOCC2)[C@@H](C)C1 ZINC000247055996 455552710 /nfs/dbraw/zinc/55/27/10/455552710.db2.gz NMINDMZBJUNVNR-PXNSSMCTSA-N 2 1 346.515 3.063 20 0 EGADMP CCOC(=O)CCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247110462 455560831 /nfs/dbraw/zinc/56/08/31/455560831.db2.gz PARHOYLRCNLMEW-HKUYNNGSSA-N 2 1 332.488 3.315 20 0 EGADMP CCOC(=O)CCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247110462 455560834 /nfs/dbraw/zinc/56/08/34/455560834.db2.gz PARHOYLRCNLMEW-HKUYNNGSSA-N 2 1 332.488 3.315 20 0 EGADMP CCOC(=O)CCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247110462 455560838 /nfs/dbraw/zinc/56/08/38/455560838.db2.gz PARHOYLRCNLMEW-HKUYNNGSSA-N 2 1 332.488 3.315 20 0 EGADMP CCOC(=O)CCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247110462 455560841 /nfs/dbraw/zinc/56/08/41/455560841.db2.gz PARHOYLRCNLMEW-HKUYNNGSSA-N 2 1 332.488 3.315 20 0 EGADMP CCSc1cccc(C[NH2+]CCCCN2CC[NH+](CC)CC2)c1 ZINC000185465712 455562379 /nfs/dbraw/zinc/56/23/79/455562379.db2.gz WGYVNXKOEIQIIQ-UHFFFAOYSA-N 2 1 335.561 3.306 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000247166974 455568189 /nfs/dbraw/zinc/56/81/89/455568189.db2.gz ULHWWBCSZSHVRS-JZXOWHBKSA-N 2 1 348.487 3.203 20 0 EGADMP C[C@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668036 455592520 /nfs/dbraw/zinc/59/25/20/455592520.db2.gz ZORBVYMCKNAHPR-DLBZAZTESA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185668036 455592522 /nfs/dbraw/zinc/59/25/22/455592522.db2.gz ZORBVYMCKNAHPR-DLBZAZTESA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000268110149 455592836 /nfs/dbraw/zinc/59/28/36/455592836.db2.gz MAFDZERYLWTGID-IBGZPJMESA-N 2 1 347.478 3.351 20 0 EGADMP COc1ccccc1[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)OC(C)C ZINC000185726228 455607833 /nfs/dbraw/zinc/60/78/33/455607833.db2.gz VFFXHVLAGITLMP-FQEVSTJZSA-N 2 1 343.471 3.412 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc(C)ccc1OC ZINC000271469083 455648890 /nfs/dbraw/zinc/64/88/90/455648890.db2.gz HDXRSCLCWNZBNN-UFYCRDLUSA-N 2 1 346.515 3.422 20 0 EGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000247936671 455656600 /nfs/dbraw/zinc/65/66/00/455656600.db2.gz CPAUHDCVBZHLDN-PMACEKPBSA-N 2 1 336.495 3.219 20 0 EGADMP Cc1cccc(C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C2CC2)c1 ZINC000247962951 455661735 /nfs/dbraw/zinc/66/17/35/455661735.db2.gz GLYZDGUTSDPIJI-SFTDATJTSA-N 2 1 330.516 3.143 20 0 EGADMP CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)[nH]1 ZINC000271519058 455669039 /nfs/dbraw/zinc/66/90/39/455669039.db2.gz OEABROQYAPYQGI-GJZGRUSLSA-N 2 1 345.491 3.280 20 0 EGADMP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccn1 ZINC000271524003 455671284 /nfs/dbraw/zinc/67/12/84/455671284.db2.gz PVCPRJQVVONJQZ-SLFFLAALSA-N 2 1 331.504 3.136 20 0 EGADMP O[C@H]([C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1)C(F)(F)F ZINC000277812174 455673828 /nfs/dbraw/zinc/67/38/28/455673828.db2.gz QGLGYFIMBXVBBL-GDBMZVCRSA-N 2 1 339.361 3.008 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cnc2ccsc2c1 ZINC000271546475 455680126 /nfs/dbraw/zinc/68/01/26/455680126.db2.gz UHXRPYZPEWRNES-VHSSKADRSA-N 2 1 345.512 3.325 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C2CC[NH+](C)CC2)c1 ZINC000268652059 455711676 /nfs/dbraw/zinc/71/16/76/455711676.db2.gz OXCDHWAVRCESLY-UHFFFAOYSA-N 2 1 345.531 3.267 20 0 EGADMP COCCOc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000268885603 455718491 /nfs/dbraw/zinc/71/84/91/455718491.db2.gz LCIDKAZPKQJJJN-INIZCTEOSA-N 2 1 331.460 3.348 20 0 EGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)c3ccc(F)cc3)C2)CC1 ZINC000292656370 455724005 /nfs/dbraw/zinc/72/40/05/455724005.db2.gz PMLGAZSREZUJPU-XLIONFOSSA-N 2 1 334.479 3.303 20 0 EGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)c3ccc(F)cc3)C2)CC1 ZINC000292656370 455724009 /nfs/dbraw/zinc/72/40/09/455724009.db2.gz PMLGAZSREZUJPU-XLIONFOSSA-N 2 1 334.479 3.303 20 0 EGADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)[C@@H]1Oc1ccccc1 ZINC000186258159 455727486 /nfs/dbraw/zinc/72/74/86/455727486.db2.gz OMDWCYFAVBJCQY-AABGKKOBSA-N 2 1 332.488 3.074 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000268971114 455749100 /nfs/dbraw/zinc/74/91/00/455749100.db2.gz AIZCMVXQSJJKFM-WOJBJXKFSA-N 2 1 343.515 3.085 20 0 EGADMP CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000186448366 455770676 /nfs/dbraw/zinc/77/06/76/455770676.db2.gz PKZFQCRTKJIPGR-YOEHRIQHSA-N 2 1 342.443 3.062 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000269126670 455794354 /nfs/dbraw/zinc/79/43/54/455794354.db2.gz FESQJFUPTXNOPD-LJQANCHMSA-N 2 1 341.430 3.148 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000269126670 455794360 /nfs/dbraw/zinc/79/43/60/455794360.db2.gz FESQJFUPTXNOPD-LJQANCHMSA-N 2 1 341.430 3.148 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1C ZINC000252696224 455828959 /nfs/dbraw/zinc/82/89/59/455828959.db2.gz XOLVEYXOTWUOQE-SCTDSRPQSA-N 2 1 329.488 3.047 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000285440033 455846621 /nfs/dbraw/zinc/84/66/21/455846621.db2.gz FPMBTKIWGGLZOG-HNNXBMFYSA-N 2 1 328.243 3.212 20 0 EGADMP CC(C)CO[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@@H](OCC(C)C)C2)C1 ZINC000255696514 455872813 /nfs/dbraw/zinc/87/28/13/455872813.db2.gz FWMYYBYNFJGQAI-SBUVDCAVSA-N 2 1 338.536 3.036 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000261637708 455918915 /nfs/dbraw/zinc/91/89/15/455918915.db2.gz DLTWOEBERZNDPW-IEBWSBKVSA-N 2 1 345.531 3.263 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000261729131 455937410 /nfs/dbraw/zinc/93/74/10/455937410.db2.gz KSZXDHYDUGUBLQ-GSEOLPGOSA-N 2 1 343.515 3.015 20 0 EGADMP Cc1ccnc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000285980964 455953618 /nfs/dbraw/zinc/95/36/18/455953618.db2.gz HRDASBLLJMLHDH-ROUUACIJSA-N 2 1 339.483 3.462 20 0 EGADMP Cc1ccnc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000285980964 455953621 /nfs/dbraw/zinc/95/36/21/455953621.db2.gz HRDASBLLJMLHDH-ROUUACIJSA-N 2 1 339.483 3.462 20 0 EGADMP Cc1ccnc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000285980962 455953867 /nfs/dbraw/zinc/95/38/67/455953867.db2.gz HRDASBLLJMLHDH-QZTJIDSGSA-N 2 1 339.483 3.462 20 0 EGADMP Cc1ccnc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000285980962 455953874 /nfs/dbraw/zinc/95/38/74/455953874.db2.gz HRDASBLLJMLHDH-QZTJIDSGSA-N 2 1 339.483 3.462 20 0 EGADMP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000296506292 455958492 /nfs/dbraw/zinc/95/84/92/455958492.db2.gz PHLBJEHNKPGDRT-QMCAAQAGSA-N 2 1 342.527 3.428 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(C[C@H](O)c3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000270465924 455961551 /nfs/dbraw/zinc/96/15/51/455961551.db2.gz YBFOLVWIZNOLET-JLZZUVOBSA-N 2 1 343.298 3.443 20 0 EGADMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000270465924 455961557 /nfs/dbraw/zinc/96/15/57/455961557.db2.gz YBFOLVWIZNOLET-JLZZUVOBSA-N 2 1 343.298 3.443 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000270465924 455961562 /nfs/dbraw/zinc/96/15/62/455961562.db2.gz YBFOLVWIZNOLET-JLZZUVOBSA-N 2 1 343.298 3.443 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000270465924 455961567 /nfs/dbraw/zinc/96/15/67/455961567.db2.gz YBFOLVWIZNOLET-JLZZUVOBSA-N 2 1 343.298 3.443 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000270465924 455961572 /nfs/dbraw/zinc/96/15/72/455961572.db2.gz YBFOLVWIZNOLET-JLZZUVOBSA-N 2 1 343.298 3.443 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(F)ccc1Br ZINC000270478986 455964347 /nfs/dbraw/zinc/96/43/47/455964347.db2.gz ICCPZYSFGWLFGP-UHFFFAOYSA-N 2 1 326.213 3.273 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261928244 455973238 /nfs/dbraw/zinc/97/32/38/455973238.db2.gz ZOKIVUCRBSGCDJ-IBGZPJMESA-N 2 1 346.906 3.372 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261928244 455973244 /nfs/dbraw/zinc/97/32/44/455973244.db2.gz ZOKIVUCRBSGCDJ-IBGZPJMESA-N 2 1 346.906 3.372 20 0 EGADMP CCOc1cc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000261956845 455977499 /nfs/dbraw/zinc/97/74/99/455977499.db2.gz XFFRNHGMBFULNG-AWEZNQCLSA-N 2 1 328.403 3.118 20 0 EGADMP CCOc1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000261956845 455977505 /nfs/dbraw/zinc/97/75/05/455977505.db2.gz XFFRNHGMBFULNG-AWEZNQCLSA-N 2 1 328.403 3.118 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000272514322 455977926 /nfs/dbraw/zinc/97/79/26/455977926.db2.gz GTAKECQCVSUDDD-QUCCMNQESA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000272514322 455977933 /nfs/dbraw/zinc/97/79/33/455977933.db2.gz GTAKECQCVSUDDD-QUCCMNQESA-N 3 1 329.532 3.361 20 0 EGADMP Cc1noc(C)c1CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272559486 455994205 /nfs/dbraw/zinc/99/42/05/455994205.db2.gz UGFKTQUEBDTLSS-BEFAXECRSA-N 2 1 327.472 3.334 20 0 EGADMP Cc1nccn1CCCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272566248 455996438 /nfs/dbraw/zinc/99/64/38/455996438.db2.gz UUXXGLQKPYNSDL-NQIIRXRSSA-N 2 1 340.515 3.472 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272566248 455996442 /nfs/dbraw/zinc/99/64/42/455996442.db2.gz UUXXGLQKPYNSDL-NQIIRXRSSA-N 3 1 340.515 3.472 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272566248 455996446 /nfs/dbraw/zinc/99/64/46/455996446.db2.gz UUXXGLQKPYNSDL-NQIIRXRSSA-N 3 1 340.515 3.472 20 0 EGADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272679696 456038089 /nfs/dbraw/zinc/03/80/89/456038089.db2.gz MSIKTZGLTJFNHN-JZTRKIHISA-N 2 1 330.516 3.284 20 0 EGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])c2ccc(C)cc2)C1 ZINC000262680534 456051802 /nfs/dbraw/zinc/05/18/02/456051802.db2.gz VWERFFTVPITBHI-SJLPKXTDSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])c2ccc(C)cc2)C1 ZINC000262680534 456051806 /nfs/dbraw/zinc/05/18/06/456051806.db2.gz VWERFFTVPITBHI-SJLPKXTDSA-N 2 1 331.504 3.012 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@H]2C)c1 ZINC000280811310 456057061 /nfs/dbraw/zinc/05/70/61/456057061.db2.gz IBMARAWFSMOIAG-ATZDWAIDSA-N 2 1 332.488 3.206 20 0 EGADMP Cc1c(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cnn1C ZINC000280929161 456085772 /nfs/dbraw/zinc/08/57/72/456085772.db2.gz GZUJNGGEOAEOAV-UHFFFAOYSA-N 2 1 326.488 3.261 20 0 EGADMP C[C@H](NC(=O)c1sccc1C[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272986044 456135897 /nfs/dbraw/zinc/13/58/97/456135897.db2.gz PMBLWVNEBJWDOC-LSDHHAIUSA-N 2 1 349.544 3.193 20 0 EGADMP c1n[nH]cc1CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000289866389 456161296 /nfs/dbraw/zinc/16/12/96/456161296.db2.gz RGCTYYXZSQJPLB-PWRODBHTSA-N 2 1 338.499 3.233 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@H](C)C2CC[NH2+]CC2)c1 ZINC000236663644 456165183 /nfs/dbraw/zinc/16/51/83/456165183.db2.gz BUTVDYOVAUQBKP-KRWDZBQOSA-N 2 1 345.531 3.169 20 0 EGADMP Fc1ccc(Cn2cc(C[NH2+]CCC[NH+]3CCCCC3)cn2)cc1 ZINC000189007835 456196849 /nfs/dbraw/zinc/19/68/49/456196849.db2.gz UJYRHEWJMJXEOH-UHFFFAOYSA-N 2 1 330.451 3.036 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000273161797 456197015 /nfs/dbraw/zinc/19/70/15/456197015.db2.gz CITYGNZKUJMBCJ-ZHALLVOQSA-N 2 1 345.531 3.322 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000236956040 456208476 /nfs/dbraw/zinc/20/84/76/456208476.db2.gz GNXNTDYHSDRDKE-LJQANCHMSA-N 2 1 327.516 3.270 20 0 EGADMP C[C@@H]1C[C@@H](Nc2nc(N(C)C)cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000301778887 456212650 /nfs/dbraw/zinc/21/26/50/456212650.db2.gz RUGKRFFLIALQLA-WBVHZDCISA-N 2 1 325.460 3.008 20 0 EGADMP C[C@@H]1C[C@@H](Nc2nc(N(C)C)cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000301778887 456212653 /nfs/dbraw/zinc/21/26/53/456212653.db2.gz RUGKRFFLIALQLA-WBVHZDCISA-N 2 1 325.460 3.008 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nc(N(C)C)cc[nH+]2)CC1 ZINC000301799840 456218297 /nfs/dbraw/zinc/21/82/97/456218297.db2.gz ZXGJOOOWKAUWCX-MRXNPFEDSA-N 2 1 331.508 3.024 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nc(N(C)C)cc[nH+]2)CC1 ZINC000301799840 456218301 /nfs/dbraw/zinc/21/83/01/456218301.db2.gz ZXGJOOOWKAUWCX-MRXNPFEDSA-N 2 1 331.508 3.024 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)CC(C)(C)[NH3+])C1CCCCC1 ZINC000237151220 456239081 /nfs/dbraw/zinc/23/90/81/456239081.db2.gz PCMBXWAMXDKFPM-UHFFFAOYSA-N 2 1 331.504 3.195 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+]CCCCCOc2ccccc2)CC1 ZINC000275656674 456279133 /nfs/dbraw/zinc/27/91/33/456279133.db2.gz DDRLXMVTCDQKBT-UHFFFAOYSA-N 2 1 347.547 3.099 20 0 EGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)CC3 ZINC000275678761 456283594 /nfs/dbraw/zinc/28/35/94/456283594.db2.gz WCABGPNGPCQYIN-JKSUJKDBSA-N 2 1 334.467 3.382 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000290311651 456287521 /nfs/dbraw/zinc/28/75/21/456287521.db2.gz ZVGLPAZKXXXPHQ-MSOLQXFVSA-N 2 1 347.503 3.358 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000290311651 456287531 /nfs/dbraw/zinc/28/75/31/456287531.db2.gz ZVGLPAZKXXXPHQ-MSOLQXFVSA-N 2 1 347.503 3.358 20 0 EGADMP COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000340172842 456289178 /nfs/dbraw/zinc/28/91/78/456289178.db2.gz WEKQRVURTSTDLB-IXDOHACOSA-N 2 1 334.504 3.199 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000290395745 456314875 /nfs/dbraw/zinc/31/48/75/456314875.db2.gz JAXRKWVFMLWEJO-UHFFFAOYSA-N 2 1 327.407 3.243 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000290395745 456314880 /nfs/dbraw/zinc/31/48/80/456314880.db2.gz JAXRKWVFMLWEJO-UHFFFAOYSA-N 2 1 327.407 3.243 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000352801840 456322220 /nfs/dbraw/zinc/32/22/20/456322220.db2.gz KVAKQLWIGXGPJN-UHFFFAOYSA-N 2 1 339.443 3.196 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000352801840 456322225 /nfs/dbraw/zinc/32/22/25/456322225.db2.gz KVAKQLWIGXGPJN-UHFFFAOYSA-N 2 1 339.443 3.196 20 0 EGADMP CC(C)[NH+](CCCNC(=O)NCCC[N@H+]1CCCC[C@H]1C)C(C)C ZINC000347715418 456323769 /nfs/dbraw/zinc/32/37/69/456323769.db2.gz FKIXVEINLRECNL-GOSISDBHSA-N 2 1 340.556 3.059 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2c[nH]c3nccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000290440936 456329499 /nfs/dbraw/zinc/32/94/99/456329499.db2.gz NUSDFMQHVNOOPC-APWZRJJASA-N 2 1 349.482 3.443 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2c[nH]c3nccnc23)CC[N@H+]1Cc1ccccc1 ZINC000290440936 456329501 /nfs/dbraw/zinc/32/95/01/456329501.db2.gz NUSDFMQHVNOOPC-APWZRJJASA-N 2 1 349.482 3.443 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2c[nH]c3nccnc23)CC[NH+]1Cc1ccccc1 ZINC000290440936 456329504 /nfs/dbraw/zinc/32/95/04/456329504.db2.gz NUSDFMQHVNOOPC-APWZRJJASA-N 2 1 349.482 3.443 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2c[nH]c3nccnc23)CC[NH+]1Cc1ccccc1 ZINC000290440936 456329511 /nfs/dbraw/zinc/32/95/11/456329511.db2.gz NUSDFMQHVNOOPC-APWZRJJASA-N 2 1 349.482 3.443 20 0 EGADMP C[C@H]1C[C@H]([NH+](C)Cc2c[nH]c3nccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000290440941 456330181 /nfs/dbraw/zinc/33/01/81/456330181.db2.gz NUSDFMQHVNOOPC-QFBILLFUSA-N 2 1 349.482 3.443 20 0 EGADMP C[C@H]1C[C@H]([NH+](C)Cc2c[nH]c3nccnc23)CC[N@H+]1Cc1ccccc1 ZINC000290440941 456330186 /nfs/dbraw/zinc/33/01/86/456330186.db2.gz NUSDFMQHVNOOPC-QFBILLFUSA-N 2 1 349.482 3.443 20 0 EGADMP C[C@H]1C[C@H]([N@H+](C)Cc2c[nH]c3nccnc23)CC[NH+]1Cc1ccccc1 ZINC000290440941 456330192 /nfs/dbraw/zinc/33/01/92/456330192.db2.gz NUSDFMQHVNOOPC-QFBILLFUSA-N 2 1 349.482 3.443 20 0 EGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2c[nH]c3nccnc23)CC[NH+]1Cc1ccccc1 ZINC000290440941 456330198 /nfs/dbraw/zinc/33/01/98/456330198.db2.gz NUSDFMQHVNOOPC-QFBILLFUSA-N 2 1 349.482 3.443 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc4ccccc4[nH]c3=O)C2)CC1 ZINC000290447322 456331947 /nfs/dbraw/zinc/33/19/47/456331947.db2.gz MDRRAYPJTJXTIK-QGZVFWFLSA-N 2 1 325.456 3.104 20 0 EGADMP CCOCc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1OC ZINC000290542213 456359092 /nfs/dbraw/zinc/35/90/92/456359092.db2.gz RHGKAJJSIQFVQH-MJGOQNOKSA-N 2 1 332.488 3.148 20 0 EGADMP CCOCc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1OC ZINC000290542213 456359098 /nfs/dbraw/zinc/35/90/98/456359098.db2.gz RHGKAJJSIQFVQH-MJGOQNOKSA-N 2 1 332.488 3.148 20 0 EGADMP CCOCc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1OC ZINC000290542213 456359103 /nfs/dbraw/zinc/35/91/03/456359103.db2.gz RHGKAJJSIQFVQH-MJGOQNOKSA-N 2 1 332.488 3.148 20 0 EGADMP CCOCc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1OC ZINC000290575894 456370257 /nfs/dbraw/zinc/37/02/57/456370257.db2.gz UDBMROJOQKTJSS-LJQANCHMSA-N 2 1 346.515 3.395 20 0 EGADMP C[C@@H]1CN([C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+](C2CCC2)C1 ZINC000298144475 456374317 /nfs/dbraw/zinc/37/43/17/456374317.db2.gz QZXXGPCDMVDYOE-RXVVDRJESA-N 2 1 327.516 3.067 20 0 EGADMP C[C@@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+](C2CCC2)C1 ZINC000298144475 456374320 /nfs/dbraw/zinc/37/43/20/456374320.db2.gz QZXXGPCDMVDYOE-RXVVDRJESA-N 2 1 327.516 3.067 20 0 EGADMP COc1cccc(C[N@H+](C)CCCn2cc[nH+]c2C)c1OC(F)F ZINC000290616915 456385184 /nfs/dbraw/zinc/38/51/84/456385184.db2.gz WXUICPHOAOFQGL-UHFFFAOYSA-N 2 1 339.386 3.324 20 0 EGADMP COc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1OC(F)F ZINC000290616915 456385189 /nfs/dbraw/zinc/38/51/89/456385189.db2.gz WXUICPHOAOFQGL-UHFFFAOYSA-N 2 1 339.386 3.324 20 0 EGADMP COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)c1OC ZINC000347849443 456404069 /nfs/dbraw/zinc/40/40/69/456404069.db2.gz COHHLHPHXJTQQL-SFHVURJKSA-N 2 1 332.488 3.463 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)c1OC ZINC000347849443 456404080 /nfs/dbraw/zinc/40/40/80/456404080.db2.gz COHHLHPHXJTQQL-SFHVURJKSA-N 2 1 332.488 3.463 20 0 EGADMP C[N@H+](Cc1ccccc1NC(=O)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000298415126 456451062 /nfs/dbraw/zinc/45/10/62/456451062.db2.gz ZTNXAUMWYUUJOM-UHFFFAOYSA-N 2 1 344.503 3.230 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000298415126 456451066 /nfs/dbraw/zinc/45/10/66/456451066.db2.gz ZTNXAUMWYUUJOM-UHFFFAOYSA-N 2 1 344.503 3.230 20 0 EGADMP CCc1ccccc1NC(=O)C[N@H+](C)CCCCn1cc[nH+]c1C ZINC000348066822 456452206 /nfs/dbraw/zinc/45/22/06/456452206.db2.gz CWITXBVQKYTDPN-UHFFFAOYSA-N 2 1 328.460 3.105 20 0 EGADMP CCc1ccccc1NC(=O)C[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000348066822 456452207 /nfs/dbraw/zinc/45/22/07/456452207.db2.gz CWITXBVQKYTDPN-UHFFFAOYSA-N 2 1 328.460 3.105 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCN(C3CC3)C2)CC1 ZINC000340476053 456482881 /nfs/dbraw/zinc/48/28/81/456482881.db2.gz GPGGZDCOGBFIKV-GPJFCIFZSA-N 2 1 327.516 3.256 20 0 EGADMP CCN(CC)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000340494226 456492518 /nfs/dbraw/zinc/49/25/18/456492518.db2.gz CULKWAHOZCDZFM-QZTJIDSGSA-N 2 1 345.531 3.265 20 0 EGADMP COc1cc2[nH+]ccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2cc1OC ZINC000298850150 456553873 /nfs/dbraw/zinc/55/38/73/456553873.db2.gz IYBKUIJUQNQVFM-AGUYFDCRSA-N 2 1 327.428 3.289 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189146 456558837 /nfs/dbraw/zinc/55/88/37/456558837.db2.gz OYDKWOIQMWIDGO-YOEHRIQHSA-N 2 1 344.421 3.403 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189146 456558846 /nfs/dbraw/zinc/55/88/46/456558846.db2.gz OYDKWOIQMWIDGO-YOEHRIQHSA-N 2 1 344.421 3.403 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189146 456558852 /nfs/dbraw/zinc/55/88/52/456558852.db2.gz OYDKWOIQMWIDGO-YOEHRIQHSA-N 2 1 344.421 3.403 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189146 456558859 /nfs/dbraw/zinc/55/88/59/456558859.db2.gz OYDKWOIQMWIDGO-YOEHRIQHSA-N 2 1 344.421 3.403 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189146 456558863 /nfs/dbraw/zinc/55/88/63/456558863.db2.gz OYDKWOIQMWIDGO-YOEHRIQHSA-N 2 1 344.421 3.403 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000310058371 456580238 /nfs/dbraw/zinc/58/02/38/456580238.db2.gz TUAAWHHDSKYGTC-DLBZAZTESA-N 2 1 339.524 3.286 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCC4CCOCC4)C[C@@H]3C2)cc1 ZINC000310358794 456582276 /nfs/dbraw/zinc/58/22/76/456582276.db2.gz SSMVEVJKNIKBBJ-SFTDATJTSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCC4CCOCC4)C[C@@H]3C2)cc1 ZINC000310358794 456582280 /nfs/dbraw/zinc/58/22/80/456582280.db2.gz SSMVEVJKNIKBBJ-SFTDATJTSA-N 2 1 328.500 3.257 20 0 EGADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000316768118 456615244 /nfs/dbraw/zinc/61/52/44/456615244.db2.gz DMOSZRNEJHEROQ-BXUZGUMPSA-N 2 1 344.286 3.381 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cnn(Cc2ccccc2)c1 ZINC000348351345 456642363 /nfs/dbraw/zinc/64/23/63/456642363.db2.gz XWEHVWLTMBYWRN-PXNSSMCTSA-N 2 1 326.488 3.456 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cnn(Cc2ccccc2)c1 ZINC000348351345 456642368 /nfs/dbraw/zinc/64/23/68/456642368.db2.gz XWEHVWLTMBYWRN-PXNSSMCTSA-N 2 1 326.488 3.456 20 0 EGADMP O[C@]1(C[NH2+][C@@H]2CCC[C@H]2CCCF)CC[N@H+](Cc2ccccc2)C1 ZINC000337996642 456644426 /nfs/dbraw/zinc/64/44/26/456644426.db2.gz KVXNGFOXIQHSPR-ZCNNSNEGSA-N 2 1 334.479 3.131 20 0 EGADMP O[C@]1(C[NH2+][C@@H]2CCC[C@H]2CCCF)CC[N@@H+](Cc2ccccc2)C1 ZINC000337996642 456644431 /nfs/dbraw/zinc/64/44/31/456644431.db2.gz KVXNGFOXIQHSPR-ZCNNSNEGSA-N 2 1 334.479 3.131 20 0 EGADMP Clc1cccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)co2)c1 ZINC000324022188 456660756 /nfs/dbraw/zinc/66/07/56/456660756.db2.gz QHCBNUCJKRJMGP-GASCZTMLSA-N 2 1 331.847 3.426 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000338167268 456679067 /nfs/dbraw/zinc/67/90/67/456679067.db2.gz VLMNSBVGYUTSRZ-FQEVSTJZSA-N 2 1 335.455 3.335 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000353465398 456701220 /nfs/dbraw/zinc/70/12/20/456701220.db2.gz UDBZPLVVTFCLAS-KSZLIROESA-N 2 1 341.503 3.286 20 0 EGADMP COCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCOCC1 ZINC000291712491 456730327 /nfs/dbraw/zinc/73/03/27/456730327.db2.gz LORPUGRNZDSPEY-QUCCMNQESA-N 2 1 346.515 3.072 20 0 EGADMP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCOCC1 ZINC000291712491 456730332 /nfs/dbraw/zinc/73/03/32/456730332.db2.gz LORPUGRNZDSPEY-QUCCMNQESA-N 2 1 346.515 3.072 20 0 EGADMP C[NH+](C)CCOC1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000353542791 456744839 /nfs/dbraw/zinc/74/48/39/456744839.db2.gz LPXCFIBEDIZZLL-UHFFFAOYSA-N 2 1 348.384 3.387 20 0 EGADMP c1cc2c(nc[nH+]c2N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)[nH]1 ZINC000353540481 456745484 /nfs/dbraw/zinc/74/54/84/456745484.db2.gz KBADOGKWRVLZCK-OAQYLSRUSA-N 2 1 347.466 3.450 20 0 EGADMP c1cc2c(nc[nH+]c2N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)[nH]1 ZINC000353540481 456745489 /nfs/dbraw/zinc/74/54/89/456745489.db2.gz KBADOGKWRVLZCK-OAQYLSRUSA-N 2 1 347.466 3.450 20 0 EGADMP C[C@H](c1ccc(F)cc1F)N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343771665 456772536 /nfs/dbraw/zinc/77/25/36/456772536.db2.gz RGGBMGAIEPYELD-LSDHHAIUSA-N 2 1 337.458 3.126 20 0 EGADMP C[C@H](c1ccc(F)cc1F)N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343771665 456772541 /nfs/dbraw/zinc/77/25/41/456772541.db2.gz RGGBMGAIEPYELD-LSDHHAIUSA-N 2 1 337.458 3.126 20 0 EGADMP CCc1oc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C(=O)OC ZINC000338948138 456868225 /nfs/dbraw/zinc/86/82/25/456868225.db2.gz MCMNBUZHKFCQFU-KSSFIOAISA-N 2 1 346.471 3.077 20 0 EGADMP C[C@@H]1CN(Cc2cccc(F)c2Cl)CC[N@H+]1C1CCN(C)CC1 ZINC000339061663 456921832 /nfs/dbraw/zinc/92/18/32/456921832.db2.gz NTIMLSDUAJRDKA-CQSZACIVSA-N 2 1 339.886 3.079 20 0 EGADMP CC[N@H+]1CC[C@H](N[C@H](CC[NH+](C)CCOC)c2ccccc2)[C@@H](C)C1 ZINC000345155694 456945788 /nfs/dbraw/zinc/94/57/88/456945788.db2.gz CTFJDFGVRLDDJY-SESVDKBCSA-N 2 1 347.547 3.016 20 0 EGADMP CC[NH+]1CC[C@H](N[C@H](CC[N@H+](C)CCOC)c2ccccc2)[C@@H](C)C1 ZINC000345155694 456945789 /nfs/dbraw/zinc/94/57/89/456945789.db2.gz CTFJDFGVRLDDJY-SESVDKBCSA-N 2 1 347.547 3.016 20 0 EGADMP CC[NH+]1CC[C@H](N[C@H](CC[N@@H+](C)CCOC)c2ccccc2)[C@@H](C)C1 ZINC000345155694 456945792 /nfs/dbraw/zinc/94/57/92/456945792.db2.gz CTFJDFGVRLDDJY-SESVDKBCSA-N 2 1 347.547 3.016 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000353944906 456975008 /nfs/dbraw/zinc/97/50/08/456975008.db2.gz MRHWLOBNJUOLQR-INIZCTEOSA-N 2 1 330.451 3.366 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000353944906 456975010 /nfs/dbraw/zinc/97/50/10/456975010.db2.gz MRHWLOBNJUOLQR-INIZCTEOSA-N 2 1 330.451 3.366 20 0 EGADMP CC(C)C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000345689589 456987793 /nfs/dbraw/zinc/98/77/93/456987793.db2.gz JHXIXWVHBJXNRI-WOJBJXKFSA-N 2 1 345.531 3.134 20 0 EGADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(C(C)C)nc1C ZINC000339202192 456989618 /nfs/dbraw/zinc/98/96/18/456989618.db2.gz HSVPWMLGIDRLRO-UHFFFAOYSA-N 2 1 346.563 3.363 20 0 EGADMP C[C@H]1C[NH+](CCOC2CC[NH+](CC3CCCCC3)CC2)C[C@H](C)O1 ZINC000358852793 457006458 /nfs/dbraw/zinc/00/64/58/457006458.db2.gz FTLMWDRQZNAQSF-ROUUACIJSA-N 2 1 338.536 3.157 20 0 EGADMP Cc1ccccc1C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358863490 457011346 /nfs/dbraw/zinc/01/13/46/457011346.db2.gz JKAMGNNPJGNUFL-KDURUIRLSA-N 2 1 346.515 3.085 20 0 EGADMP Cc1ccccc1C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358863490 457011352 /nfs/dbraw/zinc/01/13/52/457011352.db2.gz JKAMGNNPJGNUFL-KDURUIRLSA-N 2 1 346.515 3.085 20 0 EGADMP Cc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000358875713 457018177 /nfs/dbraw/zinc/01/81/77/457018177.db2.gz TVVHGPPMWOTUKZ-RTBURBONSA-N 2 1 346.515 3.085 20 0 EGADMP Cc1ccc(O)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000356535230 457041890 /nfs/dbraw/zinc/04/18/90/457041890.db2.gz XCKCDEHLWZPUKO-MOPGFXCFSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1ccc(O)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000356535230 457041897 /nfs/dbraw/zinc/04/18/97/457041897.db2.gz XCKCDEHLWZPUKO-MOPGFXCFSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1ccc(O)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000356535230 457041901 /nfs/dbraw/zinc/04/19/01/457041901.db2.gz XCKCDEHLWZPUKO-MOPGFXCFSA-N 2 1 337.467 3.050 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000354097953 457060710 /nfs/dbraw/zinc/06/07/10/457060710.db2.gz UAKBSXTZJHYARX-HNNXBMFYSA-N 2 1 328.859 3.412 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000354097953 457060715 /nfs/dbraw/zinc/06/07/15/457060715.db2.gz UAKBSXTZJHYARX-HNNXBMFYSA-N 2 1 328.859 3.412 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000356594334 457073566 /nfs/dbraw/zinc/07/35/66/457073566.db2.gz IBRMIJMFZMKFPH-KRWDZBQOSA-N 2 1 331.504 3.133 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)C[C@@H]21 ZINC000342076565 457094645 /nfs/dbraw/zinc/09/46/45/457094645.db2.gz AIZTZAJBBLVHOH-VNQPRFMTSA-N 2 1 328.378 3.187 20 0 EGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000339426534 457110637 /nfs/dbraw/zinc/11/06/37/457110637.db2.gz NULZWIKZCBYUQS-VXKWHMMOSA-N 2 1 338.495 3.161 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000339426534 457110644 /nfs/dbraw/zinc/11/06/44/457110644.db2.gz NULZWIKZCBYUQS-VXKWHMMOSA-N 2 1 338.495 3.161 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000339426534 457110652 /nfs/dbraw/zinc/11/06/52/457110652.db2.gz NULZWIKZCBYUQS-VXKWHMMOSA-N 2 1 338.495 3.161 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3coc(-c4ccc(F)c(F)c4)n3)C[C@@H]21 ZINC000342115590 457116719 /nfs/dbraw/zinc/11/67/19/457116719.db2.gz XUYSDJQDEQNRDB-RVSPLBMKSA-N 2 1 333.382 3.179 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3coc(-c4ccc(F)c(F)c4)n3)C[C@@H]21 ZINC000342115590 457116724 /nfs/dbraw/zinc/11/67/24/457116724.db2.gz XUYSDJQDEQNRDB-RVSPLBMKSA-N 2 1 333.382 3.179 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3ccc(OC(F)(F)F)cc3)C[C@@H]21 ZINC000342140138 457131063 /nfs/dbraw/zinc/13/10/63/457131063.db2.gz NWXWWUDIVMZYQA-VBNZEHGJSA-N 2 1 344.377 3.023 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000362872231 457135550 /nfs/dbraw/zinc/13/55/50/457135550.db2.gz POGMELGPEMQWLL-RTBURBONSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000362872231 457135554 /nfs/dbraw/zinc/13/55/54/457135554.db2.gz POGMELGPEMQWLL-RTBURBONSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000362872231 457135556 /nfs/dbraw/zinc/13/55/56/457135556.db2.gz POGMELGPEMQWLL-RTBURBONSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000359925073 457151339 /nfs/dbraw/zinc/15/13/39/457151339.db2.gz KRQMQENAJOABDA-OPYAIIAOSA-N 3 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000359925073 457151341 /nfs/dbraw/zinc/15/13/41/457151341.db2.gz KRQMQENAJOABDA-OPYAIIAOSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000359925073 457151350 /nfs/dbraw/zinc/15/13/50/457151350.db2.gz KRQMQENAJOABDA-OPYAIIAOSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C)C[C@H]2C)C1 ZINC000359925073 457151357 /nfs/dbraw/zinc/15/13/57/457151357.db2.gz KRQMQENAJOABDA-OPYAIIAOSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C)C[C@H]2C)C1 ZINC000359925073 457151363 /nfs/dbraw/zinc/15/13/63/457151363.db2.gz KRQMQENAJOABDA-OPYAIIAOSA-N 2 1 329.532 3.348 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000354287317 457174633 /nfs/dbraw/zinc/17/46/33/457174633.db2.gz ZQYGHWYYFDYCQG-UYAOXDASSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000354287317 457174638 /nfs/dbraw/zinc/17/46/38/457174638.db2.gz ZQYGHWYYFDYCQG-UYAOXDASSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000354287317 457174643 /nfs/dbraw/zinc/17/46/43/457174643.db2.gz ZQYGHWYYFDYCQG-UYAOXDASSA-N 2 1 343.515 3.030 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346851409 457184441 /nfs/dbraw/zinc/18/44/41/457184441.db2.gz JQMIWLBIIBLKRO-KYNGSXCRSA-N 2 1 344.890 3.393 20 0 EGADMP c1ccc(OCc2cccnc2)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000363000688 457191261 /nfs/dbraw/zinc/19/12/61/457191261.db2.gz PIPKXGDLXVANRZ-UXHICEINSA-N 2 1 337.467 3.377 20 0 EGADMP c1ccc(OCc2cccnc2)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000363000688 457191267 /nfs/dbraw/zinc/19/12/67/457191267.db2.gz PIPKXGDLXVANRZ-UXHICEINSA-N 2 1 337.467 3.377 20 0 EGADMP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC(F)F)c1 ZINC000347106759 457231846 /nfs/dbraw/zinc/23/18/46/457231846.db2.gz NNYFVBXCKAGSNL-PBWFPOADSA-N 2 1 326.387 3.011 20 0 EGADMP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC(F)F)c1 ZINC000347106759 457231851 /nfs/dbraw/zinc/23/18/51/457231851.db2.gz NNYFVBXCKAGSNL-PBWFPOADSA-N 2 1 326.387 3.011 20 0 EGADMP C[C@H](C1CCC1)[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000357031782 457287082 /nfs/dbraw/zinc/28/70/82/457287082.db2.gz ZMFIFONRRASFNU-MSOLQXFVSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H](C1CCC1)[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000357031782 457287086 /nfs/dbraw/zinc/28/70/86/457287086.db2.gz ZMFIFONRRASFNU-MSOLQXFVSA-N 2 1 343.515 3.012 20 0 EGADMP COc1cc(C)[nH+]c(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000339821071 457291650 /nfs/dbraw/zinc/29/16/50/457291650.db2.gz YAHVRRUEHPXEOK-MSOLQXFVSA-N 2 1 331.504 3.485 20 0 EGADMP COc1cc(C)[nH+]c(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000339821071 457291656 /nfs/dbraw/zinc/29/16/56/457291656.db2.gz YAHVRRUEHPXEOK-MSOLQXFVSA-N 2 1 331.504 3.485 20 0 EGADMP c1sc(-c2ccccn2)nc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357043598 457294098 /nfs/dbraw/zinc/29/40/98/457294098.db2.gz GRBQASCBDQEXQT-OAHLLOKOSA-N 2 1 328.485 3.027 20 0 EGADMP CC(C)[NH+](CCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC000357057125 457302647 /nfs/dbraw/zinc/30/26/47/457302647.db2.gz IMYVTGWRMBJFQO-SFHVURJKSA-N 2 1 337.552 3.218 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357066033 457306365 /nfs/dbraw/zinc/30/63/65/457306365.db2.gz BLRLPMNOBHEVTI-GOSISDBHSA-N 2 1 343.515 3.378 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(OC)ccn2)CC1)CC1CC1 ZINC000357086536 457314698 /nfs/dbraw/zinc/31/46/98/457314698.db2.gz OUJZIYBSULMCME-UHFFFAOYSA-N 2 1 331.504 3.424 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000347320036 457351366 /nfs/dbraw/zinc/35/13/66/457351366.db2.gz PKPFAOUVXANCLD-ZMWHVPEISA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347320036 457351368 /nfs/dbraw/zinc/35/13/68/457351368.db2.gz PKPFAOUVXANCLD-ZMWHVPEISA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347320036 457351370 /nfs/dbraw/zinc/35/13/70/457351370.db2.gz PKPFAOUVXANCLD-ZMWHVPEISA-N 2 1 327.516 3.112 20 0 EGADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000355364947 457364901 /nfs/dbraw/zinc/36/49/01/457364901.db2.gz FEPISVYXFQHVTA-GOEBONIOSA-N 2 1 346.500 3.183 20 0 EGADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000355364947 457364906 /nfs/dbraw/zinc/36/49/06/457364906.db2.gz FEPISVYXFQHVTA-GOEBONIOSA-N 2 1 346.500 3.183 20 0 EGADMP COCCSCCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352440514 457368604 /nfs/dbraw/zinc/36/86/04/457368604.db2.gz OVHCIBFZRXGBEW-UXHICEINSA-N 2 1 348.556 3.210 20 0 EGADMP COCCSCCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352440514 457368608 /nfs/dbraw/zinc/36/86/08/457368608.db2.gz OVHCIBFZRXGBEW-UXHICEINSA-N 2 1 348.556 3.210 20 0 EGADMP COCCSCCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352440514 457368612 /nfs/dbraw/zinc/36/86/12/457368612.db2.gz OVHCIBFZRXGBEW-UXHICEINSA-N 2 1 348.556 3.210 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379674387 457417830 /nfs/dbraw/zinc/41/78/30/457417830.db2.gz UGRLTJVDIJIJHU-YZGWKJHDSA-N 2 1 345.531 3.167 20 0 EGADMP Cc1ccc(NC(=O)C[N@H+](CCC[NH3+])CC2CCCC2)c(Cl)c1 ZINC000352511618 457428627 /nfs/dbraw/zinc/42/86/27/457428627.db2.gz SVALOANQVGHHFQ-UHFFFAOYSA-N 2 1 337.895 3.428 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)c(Cl)c1 ZINC000352511618 457428633 /nfs/dbraw/zinc/42/86/33/457428633.db2.gz SVALOANQVGHHFQ-UHFFFAOYSA-N 2 1 337.895 3.428 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352539413 457449212 /nfs/dbraw/zinc/44/92/12/457449212.db2.gz AIUHMUWUIOQJBR-OAQYLSRUSA-N 2 1 338.499 3.124 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352539413 457449217 /nfs/dbraw/zinc/44/92/17/457449217.db2.gz AIUHMUWUIOQJBR-OAQYLSRUSA-N 2 1 338.499 3.124 20 0 EGADMP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1(C)C ZINC000360993442 457497128 /nfs/dbraw/zinc/49/71/28/457497128.db2.gz BBFNYMWDRUTCAS-WOJBJXKFSA-N 2 1 346.515 3.201 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000342753060 457499369 /nfs/dbraw/zinc/49/93/69/457499369.db2.gz OXZHPXZJDUUMOY-XLIONFOSSA-N 2 1 345.531 3.313 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000352653292 457503392 /nfs/dbraw/zinc/50/33/92/457503392.db2.gz WFWVKCZISLTEEI-DLBZAZTESA-N 2 1 345.487 3.008 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400385226 457515384 /nfs/dbraw/zinc/51/53/84/457515384.db2.gz YBEGALRZTKCYGJ-YQQAZPJKSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400385226 457515389 /nfs/dbraw/zinc/51/53/89/457515389.db2.gz YBEGALRZTKCYGJ-YQQAZPJKSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCN1Cc1ccccc1 ZINC000357434650 457523182 /nfs/dbraw/zinc/52/31/82/457523182.db2.gz CDUNECJHFBXSLS-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000357434650 457523185 /nfs/dbraw/zinc/52/31/85/457523185.db2.gz CDUNECJHFBXSLS-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000357434650 457523190 /nfs/dbraw/zinc/52/31/90/457523190.db2.gz CDUNECJHFBXSLS-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000357434650 457523199 /nfs/dbraw/zinc/52/31/99/457523199.db2.gz CDUNECJHFBXSLS-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000357434650 457523205 /nfs/dbraw/zinc/52/32/05/457523205.db2.gz CDUNECJHFBXSLS-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H](C(=O)OC)c2ccccc2)C[C@@H]1C ZINC000425412797 457540284 /nfs/dbraw/zinc/54/02/84/457540284.db2.gz CDUQVKDGOXJIRY-WDSOQIARSA-N 2 1 332.488 3.138 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H](C(=O)OC)c2ccccc2)C[C@@H]1C ZINC000425412797 457540292 /nfs/dbraw/zinc/54/02/92/457540292.db2.gz CDUQVKDGOXJIRY-WDSOQIARSA-N 2 1 332.488 3.138 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H](C(=O)OC)c2ccccc2)C[C@@H]1C ZINC000425412797 457540301 /nfs/dbraw/zinc/54/03/01/457540301.db2.gz CDUQVKDGOXJIRY-WDSOQIARSA-N 2 1 332.488 3.138 20 0 EGADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCC(C)(C)[NH3+] ZINC000404515205 457543801 /nfs/dbraw/zinc/54/38/01/457543801.db2.gz SBFITKPFIPGENC-GVDBMIGSSA-N 2 1 331.504 3.014 20 0 EGADMP COC(=O)[C@@H](CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000425422880 457547671 /nfs/dbraw/zinc/54/76/71/457547671.db2.gz SUVXTEOMZXYBHU-UXHICEINSA-N 2 1 344.499 3.284 20 0 EGADMP COC(=O)[C@@H](CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000425422878 457547929 /nfs/dbraw/zinc/54/79/29/457547929.db2.gz SUVXTEOMZXYBHU-PMACEKPBSA-N 2 1 344.499 3.284 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000342862897 457564130 /nfs/dbraw/zinc/56/41/30/457564130.db2.gz DUSUUDUJRSBFRC-IBGZPJMESA-N 2 1 341.434 3.176 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000342862897 457564137 /nfs/dbraw/zinc/56/41/37/457564137.db2.gz DUSUUDUJRSBFRC-IBGZPJMESA-N 2 1 341.434 3.176 20 0 EGADMP CCC1(CC)[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H](C)[C@@H]1OC ZINC000352737489 457570120 /nfs/dbraw/zinc/57/01/20/457570120.db2.gz PDIGBFMGRWWDDM-WQVCFCJDSA-N 2 1 325.522 3.134 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000408506231 457572014 /nfs/dbraw/zinc/57/20/14/457572014.db2.gz FGRRYUWUEIDIEI-GPMSIDNRSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCS[C@H](c3ccccc3)C2)CC1 ZINC000374327840 457587802 /nfs/dbraw/zinc/58/78/02/457587802.db2.gz RSIKJYADAYALKF-FQEVSTJZSA-N 2 1 347.572 3.193 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000374528136 457649693 /nfs/dbraw/zinc/64/96/93/457649693.db2.gz SVPZYJRETMMHLZ-QSFXBCCZSA-N 2 1 341.455 3.169 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nc4ccccc4o3)CC2)C[C@H](C)O1 ZINC000361257621 457669649 /nfs/dbraw/zinc/66/96/49/457669649.db2.gz JXYKIIIZRCKHLI-IYBDPMFKSA-N 2 1 343.471 3.149 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc4ccccc4o3)CC2)C[C@H](C)O1 ZINC000361257621 457669651 /nfs/dbraw/zinc/66/96/51/457669651.db2.gz JXYKIIIZRCKHLI-IYBDPMFKSA-N 2 1 343.471 3.149 20 0 EGADMP COc1sc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000361279283 457677150 /nfs/dbraw/zinc/67/71/50/457677150.db2.gz WCDXQXZLAXFXGB-GHMZBOCLSA-N 2 1 345.306 3.236 20 0 EGADMP COc1sc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000361279283 457677151 /nfs/dbraw/zinc/67/71/51/457677151.db2.gz WCDXQXZLAXFXGB-GHMZBOCLSA-N 2 1 345.306 3.236 20 0 EGADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)o1 ZINC000357792319 457691631 /nfs/dbraw/zinc/69/16/31/457691631.db2.gz KAOLJPSHBNBNMA-KXBFYZLASA-N 2 1 327.472 3.477 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000357842532 457708789 /nfs/dbraw/zinc/70/87/89/457708789.db2.gz BLOXMPUNVQNHGI-VNHYZAJKSA-N 2 1 345.409 3.188 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(C[NH+](C)C)CC2)cc1)C1CC1 ZINC000358026088 457743962 /nfs/dbraw/zinc/74/39/62/457743962.db2.gz MMEJVULTCPNKHS-UHFFFAOYSA-N 2 1 343.515 3.085 20 0 EGADMP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1CCC1 ZINC000361480676 457745572 /nfs/dbraw/zinc/74/55/72/457745572.db2.gz DSBBFBCFOLKASD-UHFFFAOYSA-N 2 1 343.515 3.021 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)CC1CCCC1 ZINC000358038326 457747072 /nfs/dbraw/zinc/74/70/72/457747072.db2.gz SFMJCMYPXYXRRM-MJGOQNOKSA-N 2 1 337.552 3.077 20 0 EGADMP COc1cccc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000365356310 457748114 /nfs/dbraw/zinc/74/81/14/457748114.db2.gz HAYJPFRPDQMXKP-GOSISDBHSA-N 2 1 325.456 3.092 20 0 EGADMP COCC[NH+]1CCC([NH2+]CC2(c3ccc(C)c(C)c3)CCC2)CC1 ZINC000433086559 457755193 /nfs/dbraw/zinc/75/51/93/457755193.db2.gz ZUIMBJBTXHCGNT-UHFFFAOYSA-N 2 1 330.516 3.426 20 0 EGADMP CCn1cccc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)c1=O ZINC000433197608 457776339 /nfs/dbraw/zinc/77/63/39/457776339.db2.gz BKDOFGXKIUWVRW-UHFFFAOYSA-N 2 1 341.499 3.116 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)s1 ZINC000443622051 457789553 /nfs/dbraw/zinc/78/95/53/457789553.db2.gz JATIQANVBQSQTN-KBPBESRZSA-N 2 1 337.533 3.081 20 0 EGADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358111818 457792334 /nfs/dbraw/zinc/79/23/34/457792334.db2.gz NCWSTWYHLQVGLA-ABSDTBQOSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358111818 457792337 /nfs/dbraw/zinc/79/23/37/457792337.db2.gz NCWSTWYHLQVGLA-ABSDTBQOSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358111818 457792343 /nfs/dbraw/zinc/79/23/43/457792343.db2.gz NCWSTWYHLQVGLA-ABSDTBQOSA-N 2 1 347.547 3.163 20 0 EGADMP CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411230557 457836037 /nfs/dbraw/zinc/83/60/37/457836037.db2.gz YWJIGICIIDIXNY-FQEVSTJZSA-N 2 1 343.515 3.163 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cccc(F)c2C)CC1 ZINC000444134191 457858231 /nfs/dbraw/zinc/85/82/31/457858231.db2.gz BCIGOFYXZGFENC-UHFFFAOYSA-N 2 1 335.467 3.269 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000371330244 457870777 /nfs/dbraw/zinc/87/07/77/457870777.db2.gz SIQGXRZKURWUBS-UHFFFAOYSA-N 2 1 346.519 3.133 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CC45CCOCC5)[C@H]3C2)cc1 ZINC000433776113 457883712 /nfs/dbraw/zinc/88/37/12/457883712.db2.gz XCBRIEGBCRLNJE-WOZUAGRISA-N 2 1 340.511 3.303 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCO[C@@H]1CCCCO1 ZINC000366982852 457916088 /nfs/dbraw/zinc/91/60/88/457916088.db2.gz PKRKDYIQEWRVIW-HLAWJBBLSA-N 2 1 346.515 3.420 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCO[C@@H]1CCCCO1 ZINC000366982852 457916092 /nfs/dbraw/zinc/91/60/92/457916092.db2.gz PKRKDYIQEWRVIW-HLAWJBBLSA-N 2 1 346.515 3.420 20 0 EGADMP OC1(Cc2ccc(F)cc2)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000444642594 457925323 /nfs/dbraw/zinc/92/53/23/457925323.db2.gz IRJWLPUYIAAZED-UHFFFAOYSA-N 2 1 334.479 3.071 20 0 EGADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427067023 457940561 /nfs/dbraw/zinc/94/05/61/457940561.db2.gz KPFQGDGLCFSTIF-SFHVURJKSA-N 2 1 345.531 3.135 20 0 EGADMP Cc1cc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)ccc1C[NH+](C)C ZINC000458284653 458001268 /nfs/dbraw/zinc/00/12/68/458001268.db2.gz MXOQMCXMLNVYSC-IBGZPJMESA-N 2 1 325.456 3.298 20 0 EGADMP COC(=O)c1coc([C@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000375663252 458010179 /nfs/dbraw/zinc/01/01/79/458010179.db2.gz JFAQIVIRZGRFLD-RDJZCZTQSA-N 2 1 342.439 3.239 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000375702091 458029475 /nfs/dbraw/zinc/02/94/75/458029475.db2.gz GJFYAOJHBLPLLX-UHFFFAOYSA-N 2 1 348.491 3.057 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000375702091 458029480 /nfs/dbraw/zinc/02/94/80/458029480.db2.gz GJFYAOJHBLPLLX-UHFFFAOYSA-N 2 1 348.491 3.057 20 0 EGADMP Clc1cc(Cl)c2nc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cn2c1 ZINC000358498488 458040430 /nfs/dbraw/zinc/04/04/30/458040430.db2.gz CIIXCRKHPQMIBV-UHFFFAOYSA-N 2 1 339.270 3.217 20 0 EGADMP Clc1cc(Cl)c2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cn2c1 ZINC000358498488 458040437 /nfs/dbraw/zinc/04/04/37/458040437.db2.gz CIIXCRKHPQMIBV-UHFFFAOYSA-N 2 1 339.270 3.217 20 0 EGADMP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358503867 458042929 /nfs/dbraw/zinc/04/29/29/458042929.db2.gz HDUZJLQHPVDJNI-MJGOQNOKSA-N 2 1 343.515 3.108 20 0 EGADMP O=C(CC[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1cccc2ccccc21 ZINC000358505605 458044481 /nfs/dbraw/zinc/04/44/81/458044481.db2.gz KMOIYWXCPFUXTO-UHFFFAOYSA-N 2 1 337.467 3.244 20 0 EGADMP O[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C[C@H]2C1 ZINC000412044936 458063115 /nfs/dbraw/zinc/06/31/15/458063115.db2.gz MFUCXVMBKAKNHT-PWRODBHTSA-N 2 1 328.500 3.265 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)cc2)cs1 ZINC000435370533 458122631 /nfs/dbraw/zinc/12/26/31/458122631.db2.gz JFKMESWJSMOTRJ-BBRMVZONSA-N 2 1 331.485 3.200 20 0 EGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000435375892 458127142 /nfs/dbraw/zinc/12/71/42/458127142.db2.gz OQCPPDXFUVORGL-LJQANCHMSA-N 2 1 340.467 3.316 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000435375892 458127147 /nfs/dbraw/zinc/12/71/47/458127147.db2.gz OQCPPDXFUVORGL-LJQANCHMSA-N 2 1 340.467 3.316 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000435380690 458128119 /nfs/dbraw/zinc/12/81/19/458128119.db2.gz SUBYFTYJXHBETM-WFASDCNBSA-N 2 1 348.441 3.327 20 0 EGADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@H](C)C3)cc2)cs1 ZINC000435380948 458128725 /nfs/dbraw/zinc/12/87/25/458128725.db2.gz QUIMEAPJXLMMJV-FZKQIMNGSA-N 2 1 331.485 3.200 20 0 EGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000435383932 458129956 /nfs/dbraw/zinc/12/99/56/458129956.db2.gz KCNDYUFOQRKHKI-GOSISDBHSA-N 2 1 328.431 3.446 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000435383932 458129960 /nfs/dbraw/zinc/12/99/60/458129960.db2.gz KCNDYUFOQRKHKI-GOSISDBHSA-N 2 1 328.431 3.446 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000435385123 458132103 /nfs/dbraw/zinc/13/21/03/458132103.db2.gz PWGJMCBEAPFQIA-HXUWFJFHSA-N 3 1 346.563 3.022 20 0 EGADMP CC(C)[C@H]([NH3+])CCN(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000435385123 458132110 /nfs/dbraw/zinc/13/21/10/458132110.db2.gz PWGJMCBEAPFQIA-HXUWFJFHSA-N 2 1 346.563 3.022 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3OCc3cccnc3)C[C@@H]21 ZINC000435384900 458132932 /nfs/dbraw/zinc/13/29/32/458132932.db2.gz OTAVXNWYKJAZHT-YZGWKJHDSA-N 2 1 337.467 3.220 20 0 EGADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C1CC[NH2+]CC1 ZINC000435388675 458134141 /nfs/dbraw/zinc/13/41/41/458134141.db2.gz IMHNQGUJYHRIBF-UHFFFAOYSA-N 2 1 347.466 3.118 20 0 EGADMP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C1CC[NH2+]CC1 ZINC000435388675 458134149 /nfs/dbraw/zinc/13/41/49/458134149.db2.gz IMHNQGUJYHRIBF-UHFFFAOYSA-N 2 1 347.466 3.118 20 0 EGADMP Cc1cc(C[N@H+](C)C2CC[NH2+]CC2)cc(C)c1OCc1ccccn1 ZINC000435388806 458134812 /nfs/dbraw/zinc/13/48/12/458134812.db2.gz ITGMEQJFSITNAQ-UHFFFAOYSA-N 2 1 339.483 3.461 20 0 EGADMP CC[N@@H+](Cc1cc(OC)c(OC)cc1SC)[C@H]1CCC[NH2+]CC1 ZINC000435393077 458136112 /nfs/dbraw/zinc/13/61/12/458136112.db2.gz YSKHTFMSHPKEIF-HNNXBMFYSA-N 2 1 338.517 3.390 20 0 EGADMP CC[C@@H]1C[C@H](C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)CCO1 ZINC000435441029 458148341 /nfs/dbraw/zinc/14/83/41/458148341.db2.gz CHVMTOICZSCTSA-BRWVUGGUSA-N 2 1 337.533 3.068 20 0 EGADMP CC[N@H+](CCC1CC[NH+](CC(=O)c2cccn2C)CC1)CC(C)C ZINC000358743359 458185952 /nfs/dbraw/zinc/18/59/52/458185952.db2.gz HDXUPKLXVYQESS-UHFFFAOYSA-N 2 1 333.520 3.288 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)c2cccn2C)CC1)CC(C)C ZINC000358743359 458185956 /nfs/dbraw/zinc/18/59/56/458185956.db2.gz HDXUPKLXVYQESS-UHFFFAOYSA-N 2 1 333.520 3.288 20 0 EGADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412389880 458188941 /nfs/dbraw/zinc/18/89/41/458188941.db2.gz ARAIMLXQCXPDLB-FQEVSTJZSA-N 2 1 343.515 3.229 20 0 EGADMP COCC[NH+]1CCC([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000362525710 458244800 /nfs/dbraw/zinc/24/48/00/458244800.db2.gz NZTDYEXEGMLRHL-INIZCTEOSA-N 2 1 330.394 3.033 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC000447565500 458312897 /nfs/dbraw/zinc/31/28/97/458312897.db2.gz LQWPINXJCZZPIK-QUCCMNQESA-N 2 1 344.547 3.004 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC000447565500 458312903 /nfs/dbraw/zinc/31/29/03/458312903.db2.gz LQWPINXJCZZPIK-QUCCMNQESA-N 2 1 344.547 3.004 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000447565500 458312907 /nfs/dbraw/zinc/31/29/07/458312907.db2.gz LQWPINXJCZZPIK-QUCCMNQESA-N 2 1 344.547 3.004 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC000447565500 458312913 /nfs/dbraw/zinc/31/29/13/458312913.db2.gz LQWPINXJCZZPIK-QUCCMNQESA-N 2 1 344.547 3.004 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000429621810 458353882 /nfs/dbraw/zinc/35/38/82/458353882.db2.gz VLVAWGVEGXMHNY-LJQANCHMSA-N 2 1 333.520 3.364 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[C@H]1Sc1ccccc1 ZINC000459415974 458363393 /nfs/dbraw/zinc/36/33/93/458363393.db2.gz BUAUEWXLUOSRJO-QWXYKEQDSA-N 2 1 334.529 3.397 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@H]1Sc1ccccc1 ZINC000459415974 458363395 /nfs/dbraw/zinc/36/33/95/458363395.db2.gz BUAUEWXLUOSRJO-QWXYKEQDSA-N 2 1 334.529 3.397 20 0 EGADMP CCc1nn(-c2ccccc2)c(CC)c1CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000448022961 458380123 /nfs/dbraw/zinc/38/01/23/458380123.db2.gz QUPNGMYFGAHWDV-OXQOHEQNSA-N 2 1 340.515 3.427 20 0 EGADMP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000448022961 458380129 /nfs/dbraw/zinc/38/01/29/458380129.db2.gz QUPNGMYFGAHWDV-OXQOHEQNSA-N 2 1 340.515 3.427 20 0 EGADMP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000448022961 458380131 /nfs/dbraw/zinc/38/01/31/458380131.db2.gz QUPNGMYFGAHWDV-OXQOHEQNSA-N 2 1 340.515 3.427 20 0 EGADMP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000448022961 458380139 /nfs/dbraw/zinc/38/01/39/458380139.db2.gz QUPNGMYFGAHWDV-OXQOHEQNSA-N 2 1 340.515 3.427 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Cl)c1OC ZINC000373067755 458390100 /nfs/dbraw/zinc/39/01/00/458390100.db2.gz INSGLYLUQPYTRR-HUUCEWRRSA-N 2 1 338.879 3.464 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(Cl)c1OC ZINC000373067755 458390103 /nfs/dbraw/zinc/39/01/03/458390103.db2.gz INSGLYLUQPYTRR-HUUCEWRRSA-N 2 1 338.879 3.464 20 0 EGADMP CN(CCCn1ccnc1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000376858776 458408723 /nfs/dbraw/zinc/40/87/23/458408723.db2.gz WNHSKTCOMQOGCQ-GOSISDBHSA-N 2 1 341.846 3.438 20 0 EGADMP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000459625783 458430336 /nfs/dbraw/zinc/43/03/36/458430336.db2.gz BCTMFUJXWBSFAW-BGYRXZFFSA-N 2 1 334.479 3.378 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000423442611 458433721 /nfs/dbraw/zinc/43/37/21/458433721.db2.gz ZHRPHNYBISDYSI-IRXDYDNUSA-N 2 1 339.483 3.347 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)[C@H]2CCC[C@H]21 ZINC000423452539 458435202 /nfs/dbraw/zinc/43/52/02/458435202.db2.gz ZAEGOCCDUWRHTD-BZZMCLGOSA-N 2 1 329.488 3.333 20 0 EGADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423526695 458451053 /nfs/dbraw/zinc/45/10/53/458451053.db2.gz LIYAKEBDFRKCRM-ZYSHUDEJSA-N 2 1 338.451 3.082 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCCC[NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000423541792 458454790 /nfs/dbraw/zinc/45/47/90/458454790.db2.gz ACADIFOQHCGGST-CEWLAPEOSA-N 2 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCC[NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000423541792 458454795 /nfs/dbraw/zinc/45/47/95/458454795.db2.gz ACADIFOQHCGGST-CEWLAPEOSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCC[NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000423541792 458454798 /nfs/dbraw/zinc/45/47/98/458454798.db2.gz ACADIFOQHCGGST-CEWLAPEOSA-N 3 1 327.516 3.019 20 0 EGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459726046 458458555 /nfs/dbraw/zinc/45/85/55/458458555.db2.gz BFFYXRPNHPSEMF-FUHWJXTLSA-N 2 1 334.504 3.346 20 0 EGADMP CN(C[C@@H](O)C[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000459758521 458471094 /nfs/dbraw/zinc/47/10/94/458471094.db2.gz VLGNGDHLRPXOQZ-UXHICEINSA-N 2 1 328.500 3.449 20 0 EGADMP CN(C[C@@H](O)C[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000459758521 458471097 /nfs/dbraw/zinc/47/10/97/458471097.db2.gz VLGNGDHLRPXOQZ-UXHICEINSA-N 2 1 328.500 3.449 20 0 EGADMP CC[C@@H](C(=O)Nc1ccc(C[NH2+]C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000423706128 458474861 /nfs/dbraw/zinc/47/48/61/458474861.db2.gz MCMRSFXPHBLQNW-IBGZPJMESA-N 2 1 325.456 3.255 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000459780948 458477927 /nfs/dbraw/zinc/47/79/27/458477927.db2.gz MAQZTJQINMNTLI-GIVPXCGWSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000459780948 458477930 /nfs/dbraw/zinc/47/79/30/458477930.db2.gz MAQZTJQINMNTLI-GIVPXCGWSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000459780948 458477935 /nfs/dbraw/zinc/47/79/35/458477935.db2.gz MAQZTJQINMNTLI-GIVPXCGWSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459780948 458477936 /nfs/dbraw/zinc/47/79/36/458477936.db2.gz MAQZTJQINMNTLI-GIVPXCGWSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459780948 458477942 /nfs/dbraw/zinc/47/79/42/458477942.db2.gz MAQZTJQINMNTLI-GIVPXCGWSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459798432 458481466 /nfs/dbraw/zinc/48/14/66/458481466.db2.gz XUOFEYMZAHEIPX-GJZGRUSLSA-N 2 1 337.895 3.379 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437859101 458503401 /nfs/dbraw/zinc/50/34/01/458503401.db2.gz NCYGDRKYTXRWMO-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000437878893 458506591 /nfs/dbraw/zinc/50/65/91/458506591.db2.gz RGNYTRQTSVMUCW-WOJBJXKFSA-N 2 1 347.547 3.307 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000437878893 458506596 /nfs/dbraw/zinc/50/65/96/458506596.db2.gz RGNYTRQTSVMUCW-WOJBJXKFSA-N 2 1 347.547 3.307 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000437878893 458506601 /nfs/dbraw/zinc/50/66/01/458506601.db2.gz RGNYTRQTSVMUCW-WOJBJXKFSA-N 2 1 347.547 3.307 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000431063234 458523407 /nfs/dbraw/zinc/52/34/07/458523407.db2.gz YVILCOKMNVYUQP-MDNKFWRPSA-N 2 1 343.515 3.236 20 0 EGADMP CC[C@@H]1C[N@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@H]1c1ccccc1 ZINC000431068986 458525519 /nfs/dbraw/zinc/52/55/19/458525519.db2.gz DTFPUWBPDHSXNV-GDBMZVCRSA-N 2 1 328.460 3.279 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@H]1c1ccccc1 ZINC000431068986 458525525 /nfs/dbraw/zinc/52/55/25/458525525.db2.gz DTFPUWBPDHSXNV-GDBMZVCRSA-N 2 1 328.460 3.279 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000438095536 458532264 /nfs/dbraw/zinc/53/22/64/458532264.db2.gz HEYJAHJOIOQOPV-FQEVSTJZSA-N 2 1 341.499 3.476 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424145407 458570324 /nfs/dbraw/zinc/57/03/24/458570324.db2.gz NMFUNEXKBLYLES-RTBURBONSA-N 2 1 337.552 3.255 20 0 EGADMP Cn1c2cc(F)ccc2nc1N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000431431876 458572618 /nfs/dbraw/zinc/57/26/18/458572618.db2.gz PPPBTPVZLCKKFN-QGZVFWFLSA-N 2 1 338.430 3.076 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1ccn(-c3c(F)cccc3F)n1)CC[NH2+]CC2 ZINC000424300587 458609397 /nfs/dbraw/zinc/60/93/97/458609397.db2.gz WVNZLJGEIYHXPF-AWEZNQCLSA-N 2 1 346.425 3.115 20 0 EGADMP CN(c1ccccc1)C1CC[NH+](C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424303875 458610330 /nfs/dbraw/zinc/61/03/30/458610330.db2.gz PMVDCVZKMUFLHG-GOSISDBHSA-N 2 1 341.474 3.469 20 0 EGADMP CCC(CC)(C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000424329970 458617844 /nfs/dbraw/zinc/61/78/44/458617844.db2.gz REEQAQQEJHAQGK-HRCADAONSA-N 2 1 326.525 3.453 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(Cl)c1 ZINC000424348665 458624025 /nfs/dbraw/zinc/62/40/25/458624025.db2.gz MAZIRRZKFNDMRL-CQSZACIVSA-N 2 1 339.911 3.025 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(-c3cnn(C)c3)s1)CC[NH2+]CC2 ZINC000424371199 458628295 /nfs/dbraw/zinc/62/82/95/458628295.db2.gz DBNIZWXYWCXMJG-CQSZACIVSA-N 2 1 330.501 3.113 20 0 EGADMP CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000462680034 458641354 /nfs/dbraw/zinc/64/13/54/458641354.db2.gz IPRCAKHDMUCPMS-RXVVDRJESA-N 2 1 329.532 3.492 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC(C)(C)C1 ZINC000462728986 458648149 /nfs/dbraw/zinc/64/81/49/458648149.db2.gz YIJAUOYZTMDTQS-SLYNCCJLSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC(C)(C)C1 ZINC000462728986 458648155 /nfs/dbraw/zinc/64/81/55/458648155.db2.gz YIJAUOYZTMDTQS-SLYNCCJLSA-N 2 1 330.516 3.428 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439464050 458706650 /nfs/dbraw/zinc/70/66/50/458706650.db2.gz CQWZSUZJTZQURN-ABSDTBQOSA-N 2 1 336.520 3.305 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439464050 458706655 /nfs/dbraw/zinc/70/66/55/458706655.db2.gz CQWZSUZJTZQURN-ABSDTBQOSA-N 2 1 336.520 3.305 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439464050 458706662 /nfs/dbraw/zinc/70/66/62/458706662.db2.gz CQWZSUZJTZQURN-ABSDTBQOSA-N 2 1 336.520 3.305 20 0 EGADMP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2(C)C)n1 ZINC000530232130 458724858 /nfs/dbraw/zinc/72/48/58/458724858.db2.gz NPLQVXOBMBBFHO-CQSZACIVSA-N 2 1 332.423 3.171 20 0 EGADMP c1cn2c(n1)C[C@@H](NCc1csc(COc3ccccc3)n1)CC2 ZINC000547967542 458815889 /nfs/dbraw/zinc/81/58/89/458815889.db2.gz PCWZNRYFUGDCQY-AWEZNQCLSA-N 2 1 340.452 3.023 20 0 EGADMP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000440617869 458833377 /nfs/dbraw/zinc/83/33/77/458833377.db2.gz ULGXWIFAOWEIJR-NEPJUHHUSA-N 2 1 330.398 3.171 20 0 EGADMP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000440617869 458833379 /nfs/dbraw/zinc/83/33/79/458833379.db2.gz ULGXWIFAOWEIJR-NEPJUHHUSA-N 2 1 330.398 3.171 20 0 EGADMP CN(CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000495600843 458893527 /nfs/dbraw/zinc/89/35/27/458893527.db2.gz ICVMZVNZIHQOPB-ZWKOTPCHSA-N 2 1 347.503 3.278 20 0 EGADMP CN(CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000495600843 458893532 /nfs/dbraw/zinc/89/35/32/458893532.db2.gz ICVMZVNZIHQOPB-ZWKOTPCHSA-N 2 1 347.503 3.278 20 0 EGADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000474810045 458902597 /nfs/dbraw/zinc/90/25/97/458902597.db2.gz NMOSIUWXMHSMMR-FDYSRKEFSA-N 2 1 336.520 3.353 20 0 EGADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000474810045 458902606 /nfs/dbraw/zinc/90/26/06/458902606.db2.gz NMOSIUWXMHSMMR-FDYSRKEFSA-N 2 1 336.520 3.353 20 0 EGADMP Cc1cnccc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000519076073 458913140 /nfs/dbraw/zinc/91/31/40/458913140.db2.gz LHLIKZDXKCWIJX-UHFFFAOYSA-N 2 1 344.547 3.018 20 0 EGADMP CC1CCC(N(C(=O)CN(C)CC[C@@H]2CCCC[N@H+]2C)C2CC2)CC1 ZINC000441333639 458920983 /nfs/dbraw/zinc/92/09/83/458920983.db2.gz UXIFBGDEYWKRRS-XBMUEBEBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)N(C(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CCCC1 ZINC000441398513 458935050 /nfs/dbraw/zinc/93/50/50/458935050.db2.gz YJZRBTGAVATDFE-FXAWDEMLSA-N 2 1 347.547 3.115 20 0 EGADMP COc1ccc([C@@H]2CCC[N@H+]2CCCc2cncn2C)c(OC)c1 ZINC000576954437 458955875 /nfs/dbraw/zinc/95/58/75/458955875.db2.gz QJJXMLYNIGGMRD-SFHVURJKSA-N 2 1 329.444 3.207 20 0 EGADMP COc1ccc([C@@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)c(OC)c1 ZINC000576954437 458955880 /nfs/dbraw/zinc/95/58/80/458955880.db2.gz QJJXMLYNIGGMRD-SFHVURJKSA-N 2 1 329.444 3.207 20 0 EGADMP COCC[NH+]1CCC([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000467439291 458974386 /nfs/dbraw/zinc/97/43/86/458974386.db2.gz ULSDFZNCTVCJCD-UHFFFAOYSA-N 2 1 340.870 3.426 20 0 EGADMP C[C@H](C[C@@H]1COCC[NH2+]1)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000566672718 458980925 /nfs/dbraw/zinc/98/09/25/458980925.db2.gz GZHNTTCLWQBBBH-UKRRQHHQSA-N 2 1 330.476 3.050 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000531937653 459003109 /nfs/dbraw/zinc/00/31/09/459003109.db2.gz IDOKARKAJUKQJW-QQFBHYJXSA-N 2 1 336.442 3.324 20 0 EGADMP CC[N@H+]1CC[C@@H](NCc2ccc(OC(F)F)c(OC)c2)[C@@H](C)C1 ZINC000531945280 459005259 /nfs/dbraw/zinc/00/52/59/459005259.db2.gz USQKBSLGPRFXCG-GXTWGEPZSA-N 2 1 328.403 3.117 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(OC)c2)[C@@H](C)C1 ZINC000531945280 459005269 /nfs/dbraw/zinc/00/52/69/459005269.db2.gz USQKBSLGPRFXCG-GXTWGEPZSA-N 2 1 328.403 3.117 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(C)cc2C)[C@@H](C)C1 ZINC000531953948 459006555 /nfs/dbraw/zinc/00/65/55/459006555.db2.gz KZFNFYRSWSFJCW-VQTJNVASSA-N 2 1 348.531 3.409 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](CO)Cc2ccco2)cc1 ZINC000532025434 459019335 /nfs/dbraw/zinc/01/93/35/459019335.db2.gz RMIQQOBDKOOLSR-DOTOQJQBSA-N 2 1 339.439 3.276 20 0 EGADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000442756954 459031574 /nfs/dbraw/zinc/03/15/74/459031574.db2.gz LGKJYXKCHHLIQV-DLBZAZTESA-N 2 1 335.536 3.150 20 0 EGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000442756954 459031576 /nfs/dbraw/zinc/03/15/76/459031576.db2.gz LGKJYXKCHHLIQV-DLBZAZTESA-N 2 1 335.536 3.150 20 0 EGADMP O[C@@]1(C[NH2+]C2CCC(C(F)F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000442772369 459033996 /nfs/dbraw/zinc/03/39/96/459033996.db2.gz VSXACAZKLDDXBC-FAFZWHIHSA-N 2 1 338.442 3.037 20 0 EGADMP O[C@@]1(C[NH2+]C2CCC(C(F)F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000442772369 459034002 /nfs/dbraw/zinc/03/40/02/459034002.db2.gz VSXACAZKLDDXBC-FAFZWHIHSA-N 2 1 338.442 3.037 20 0 EGADMP C[C@H]1CC[C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c2sccc21 ZINC000567042667 459038279 /nfs/dbraw/zinc/03/82/79/459038279.db2.gz QAWCBDAMKJESDE-FZMZJTMJSA-N 2 1 331.489 3.061 20 0 EGADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442876534 459050340 /nfs/dbraw/zinc/05/03/40/459050340.db2.gz PPUYHRYXENFNGH-LJQANCHMSA-N 2 1 329.532 3.296 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC[C@H]2CCc2ccccc2)CC1(C)C ZINC000442881466 459051541 /nfs/dbraw/zinc/05/15/41/459051541.db2.gz ZMZHUVLPNVOJPM-SFTDATJTSA-N 2 1 343.559 3.404 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000443064247 459081255 /nfs/dbraw/zinc/08/12/55/459081255.db2.gz XTJPASAZNRUFQL-KRWDZBQOSA-N 2 1 337.467 3.500 20 0 EGADMP Cc1cc(-c2noc([C@@H](C)[N@H+]3CCC[C@H](CC[NH3+])C3)n2)ccc1F ZINC000443076524 459086208 /nfs/dbraw/zinc/08/62/08/459086208.db2.gz SPLKLDCMGOVVMD-ZIAGYGMSSA-N 2 1 332.423 3.306 20 0 EGADMP C[NH+](C)CC1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000590125702 459087706 /nfs/dbraw/zinc/08/77/06/459087706.db2.gz IZJKOILGLGHQFW-UHFFFAOYSA-N 2 1 330.501 3.082 20 0 EGADMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000590125830 459087900 /nfs/dbraw/zinc/08/79/00/459087900.db2.gz PDOIRNMUUZLELV-UHFFFAOYSA-N 2 1 331.504 3.196 20 0 EGADMP C[N@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21)C1CC1 ZINC000577785620 459094432 /nfs/dbraw/zinc/09/44/32/459094432.db2.gz URXBWDSVBAQYSR-BQJUDKOJSA-N 2 1 328.500 3.100 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21)C1CC1 ZINC000577785620 459094439 /nfs/dbraw/zinc/09/44/39/459094439.db2.gz URXBWDSVBAQYSR-BQJUDKOJSA-N 2 1 328.500 3.100 20 0 EGADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21)C1CC1 ZINC000577785620 459094445 /nfs/dbraw/zinc/09/44/45/459094445.db2.gz URXBWDSVBAQYSR-BQJUDKOJSA-N 2 1 328.500 3.100 20 0 EGADMP C[NH+](C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21)C1CC1 ZINC000577785620 459094452 /nfs/dbraw/zinc/09/44/52/459094452.db2.gz URXBWDSVBAQYSR-BQJUDKOJSA-N 2 1 328.500 3.100 20 0 EGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000496240042 459120385 /nfs/dbraw/zinc/12/03/85/459120385.db2.gz SANLZDXPECUDAF-DLBZAZTESA-N 2 1 341.540 3.199 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000577948027 459122300 /nfs/dbraw/zinc/12/23/00/459122300.db2.gz LKTCUEORHWJRKC-RXVVDRJESA-N 2 1 326.484 3.065 20 0 EGADMP COC(C)(C)C[NH+](C)Cc1cccc(C[N@H+](C)CC(C)(C)OC)c1 ZINC000532644552 459122744 /nfs/dbraw/zinc/12/27/44/459122744.db2.gz JYSBJSWXQXJDJY-UHFFFAOYSA-N 2 1 336.520 3.400 20 0 EGADMP CCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H](CC)c1ccccc1 ZINC000521193594 459128172 /nfs/dbraw/zinc/12/81/72/459128172.db2.gz KDXBWNLEEFDSRO-FQEVSTJZSA-N 2 1 345.531 3.450 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@H]2CCCCC[C@H]2[NH3+])N2CCCCC2)cc1 ZINC000567642371 459138655 /nfs/dbraw/zinc/13/86/55/459138655.db2.gz QLGWTBMZCJLGQF-HKBOAZHASA-N 2 1 345.531 3.472 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000479462230 459142052 /nfs/dbraw/zinc/14/20/52/459142052.db2.gz FTECHDKLMPYSIJ-MOPGFXCFSA-N 2 1 344.499 3.220 20 0 EGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000479462235 459142225 /nfs/dbraw/zinc/14/22/25/459142225.db2.gz FTECHDKLMPYSIJ-RTBURBONSA-N 2 1 344.499 3.220 20 0 EGADMP CCOC(=O)CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000558397048 459152720 /nfs/dbraw/zinc/15/27/20/459152720.db2.gz LKIRWJAPKUXZTI-MRXNPFEDSA-N 2 1 338.517 3.154 20 0 EGADMP CCOC(=O)CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000558397048 459152725 /nfs/dbraw/zinc/15/27/25/459152725.db2.gz LKIRWJAPKUXZTI-MRXNPFEDSA-N 2 1 338.517 3.154 20 0 EGADMP CCOC(=O)CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000558397048 459152729 /nfs/dbraw/zinc/15/27/29/459152729.db2.gz LKIRWJAPKUXZTI-MRXNPFEDSA-N 2 1 338.517 3.154 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3CN(CCC[NH+]4CCCCC4)C[C@@H]3C2)cc1 ZINC000558477732 459163797 /nfs/dbraw/zinc/16/37/97/459163797.db2.gz HUZRNRBRYXDCIL-FGZHOGPDSA-N 2 1 341.543 3.316 20 0 EGADMP Fc1ccc(COc2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000479768423 459165394 /nfs/dbraw/zinc/16/53/94/459165394.db2.gz SLLTXBKJVWROIX-HDICACEKSA-N 2 1 326.415 3.056 20 0 EGADMP Fc1ccc(COc2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000479768423 459165400 /nfs/dbraw/zinc/16/54/00/459165400.db2.gz SLLTXBKJVWROIX-HDICACEKSA-N 2 1 326.415 3.056 20 0 EGADMP C[C@@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000480625095 459209175 /nfs/dbraw/zinc/20/91/75/459209175.db2.gz MOHCHGOESDQMMW-QYZOEREBSA-N 2 1 347.547 3.398 20 0 EGADMP C[C@@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000480625095 459209180 /nfs/dbraw/zinc/20/91/80/459209180.db2.gz MOHCHGOESDQMMW-QYZOEREBSA-N 2 1 347.547 3.398 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000480710507 459215476 /nfs/dbraw/zinc/21/54/76/459215476.db2.gz DPJPHTUWKIBMDW-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480710507 459215482 /nfs/dbraw/zinc/21/54/82/459215482.db2.gz DPJPHTUWKIBMDW-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480710507 459215491 /nfs/dbraw/zinc/21/54/91/459215491.db2.gz DPJPHTUWKIBMDW-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)C2CCC(C)CC2)CC1 ZINC000590786752 459218819 /nfs/dbraw/zinc/21/88/19/459218819.db2.gz LFWMIJKTGJUUGU-UHFFFAOYSA-N 2 1 337.552 3.076 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000568083326 459224615 /nfs/dbraw/zinc/22/46/15/459224615.db2.gz DBBGDMJFXNJAKE-CRAIPNDOSA-N 2 1 347.503 3.043 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595063741 459232861 /nfs/dbraw/zinc/23/28/61/459232861.db2.gz XPBSTCDWDKBUHN-WKLXTDFRSA-N 2 1 348.556 3.176 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595063741 459232865 /nfs/dbraw/zinc/23/28/65/459232865.db2.gz XPBSTCDWDKBUHN-WKLXTDFRSA-N 2 1 348.556 3.176 20 0 EGADMP Cc1cnc2cc(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)ccn12 ZINC000568193325 459245604 /nfs/dbraw/zinc/24/56/04/459245604.db2.gz GEXGMNBQSSTGPX-HNNXBMFYSA-N 2 1 328.460 3.027 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC[C@H]3CCc4ccccc43)C2)CC1 ZINC000595340222 459280516 /nfs/dbraw/zinc/28/05/16/459280516.db2.gz RINZADPLCRGYKF-NHCUHLMSSA-N 2 1 341.543 3.207 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(OC)c1 ZINC000482131930 459291269 /nfs/dbraw/zinc/29/12/69/459291269.db2.gz YNDLOYXLIJBORP-LPHOPBHVSA-N 2 1 347.503 3.124 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000482132106 459291676 /nfs/dbraw/zinc/29/16/76/459291676.db2.gz ZBGPDFCWLWUXSK-HNAYVOBHSA-N 2 1 340.458 3.234 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCc2ccc3c(c2)CCO3)C1 ZINC000482157099 459294429 /nfs/dbraw/zinc/29/44/29/459294429.db2.gz ZVBYUSYVBYDLGL-LJQANCHMSA-N 2 1 328.500 3.218 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000482157099 459294432 /nfs/dbraw/zinc/29/44/32/459294432.db2.gz ZVBYUSYVBYDLGL-LJQANCHMSA-N 2 1 328.500 3.218 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000482157099 459294442 /nfs/dbraw/zinc/29/44/42/459294442.db2.gz ZVBYUSYVBYDLGL-LJQANCHMSA-N 2 1 328.500 3.218 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1C(C)(C)C ZINC000534351889 459321174 /nfs/dbraw/zinc/32/11/74/459321174.db2.gz HKQLUSYCKBBMMI-IAGOWNOFSA-N 2 1 345.531 3.222 20 0 EGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496936256 459377986 /nfs/dbraw/zinc/37/79/86/459377986.db2.gz DRQODOSDWMMCPL-IAGOWNOFSA-N 2 1 333.476 3.003 20 0 EGADMP CC(C)OCC[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000568991128 459378545 /nfs/dbraw/zinc/37/85/45/459378545.db2.gz KOTMXDMRFBNIOZ-NQIIRXRSSA-N 2 1 348.531 3.327 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000497041073 459414991 /nfs/dbraw/zinc/41/49/91/459414991.db2.gz YYSUONPBJVXVPO-DLBZAZTESA-N 2 1 339.524 3.098 20 0 EGADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000484503836 459417150 /nfs/dbraw/zinc/41/71/50/459417150.db2.gz SWPAVZLSWJWZJZ-FSAOVCISSA-N 2 1 329.532 3.073 20 0 EGADMP CC[NH+]1C[C@H](C)[C@H](N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000484503836 459417157 /nfs/dbraw/zinc/41/71/57/459417157.db2.gz SWPAVZLSWJWZJZ-FSAOVCISSA-N 2 1 329.532 3.073 20 0 EGADMP CC[NH+]1C[C@H](C)[C@H](N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000484503836 459417165 /nfs/dbraw/zinc/41/71/65/459417165.db2.gz SWPAVZLSWJWZJZ-FSAOVCISSA-N 2 1 329.532 3.073 20 0 EGADMP CCN1C[C@H](C)[C@H]([NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000484503836 459417173 /nfs/dbraw/zinc/41/71/73/459417173.db2.gz SWPAVZLSWJWZJZ-FSAOVCISSA-N 2 1 329.532 3.073 20 0 EGADMP CCN1C[C@H](C)[C@H]([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000484503836 459417181 /nfs/dbraw/zinc/41/71/81/459417181.db2.gz SWPAVZLSWJWZJZ-FSAOVCISSA-N 2 1 329.532 3.073 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)CCc3ccccc3)C2)CC1 ZINC000525173130 459423018 /nfs/dbraw/zinc/42/30/18/459423018.db2.gz GYKCCVKFNKIKJU-CTNGQTDRSA-N 2 1 329.532 3.108 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497095286 459436700 /nfs/dbraw/zinc/43/67/00/459436700.db2.gz BERPSBPHBTWKFZ-DLBZAZTESA-N 2 1 339.524 3.238 20 0 EGADMP CCN1CC[NH+](CCCC[NH2+][C@@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000569411475 459445667 /nfs/dbraw/zinc/44/56/67/459445667.db2.gz JVAWTBJVKLHHPF-HXUWFJFHSA-N 2 1 333.520 3.437 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000497126597 459450347 /nfs/dbraw/zinc/45/03/47/459450347.db2.gz GOAYNWVNNOAGBJ-IXDOHACOSA-N 2 1 339.524 3.238 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CC[N@H+](CC(C)C)C1 ZINC000569475227 459459284 /nfs/dbraw/zinc/45/92/84/459459284.db2.gz AIPYYRKLRLQAQY-MRXNPFEDSA-N 2 1 335.467 3.030 20 0 EGADMP CN(CCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000497170321 459471884 /nfs/dbraw/zinc/47/18/84/459471884.db2.gz WWYBOPDTCRSMSW-KRWDZBQOSA-N 2 1 339.524 3.194 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000497227539 459494489 /nfs/dbraw/zinc/49/44/89/459494489.db2.gz OATMQLGQBIVXIH-GOSISDBHSA-N 2 1 348.491 3.105 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000497227539 459494494 /nfs/dbraw/zinc/49/44/94/459494494.db2.gz OATMQLGQBIVXIH-GOSISDBHSA-N 2 1 348.491 3.105 20 0 EGADMP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCC[N@@H+](C)C1CCCCC1)CC2 ZINC000526001649 459529742 /nfs/dbraw/zinc/52/97/42/459529742.db2.gz UELYFNOALPQBQB-HNNXBMFYSA-N 2 1 346.519 3.019 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000562473739 459568692 /nfs/dbraw/zinc/56/86/92/459568692.db2.gz JNHJBDSNGZOEJR-WOJBJXKFSA-N 2 1 329.532 3.385 20 0 EGADMP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000498517827 459593116 /nfs/dbraw/zinc/59/31/16/459593116.db2.gz SVOGHQBOXQNFMR-FQEVSTJZSA-N 2 1 345.531 3.260 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000498517827 459593119 /nfs/dbraw/zinc/59/31/19/459593119.db2.gz SVOGHQBOXQNFMR-FQEVSTJZSA-N 2 1 345.531 3.260 20 0 EGADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCc1c[nH+]cn1C)CC2 ZINC000583924814 459619186 /nfs/dbraw/zinc/61/91/86/459619186.db2.gz DIAHEZCGUXTIHE-HNNXBMFYSA-N 2 1 334.261 3.311 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccncc3Cl)CC2)oc1C ZINC000527658918 459688697 /nfs/dbraw/zinc/68/86/97/459688697.db2.gz MCMVSUATKDZSLI-UHFFFAOYSA-N 2 1 348.878 3.342 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000543777922 459700378 /nfs/dbraw/zinc/70/03/78/459700378.db2.gz PSNRVWGBZHVLSC-YDMFQYSRSA-N 2 1 340.511 3.168 20 0 EGADMP CC(C)[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(Cl)cc1 ZINC000573594652 459703536 /nfs/dbraw/zinc/70/35/36/459703536.db2.gz FDRMEPXHYNUBBJ-QGZVFWFLSA-N 2 1 347.894 3.412 20 0 EGADMP CC1CCC(O)(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000573794379 459736228 /nfs/dbraw/zinc/73/62/28/459736228.db2.gz JEXALWMBZKKILZ-CKHPTIKVSA-N 2 1 330.516 3.082 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)[C@@H]3CC34CC4)cc2)CC1 ZINC000527846635 459757164 /nfs/dbraw/zinc/75/71/64/459757164.db2.gz FUZXTWXACZBWCP-XLIONFOSSA-N 2 1 327.516 3.102 20 0 EGADMP CC(C)c1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000527860844 459760785 /nfs/dbraw/zinc/76/07/85/459760785.db2.gz YOUNVDWARHQPGI-VQIMIIECSA-N 2 1 331.504 3.048 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527859126 459760840 /nfs/dbraw/zinc/76/08/40/459760840.db2.gz CUJFOBFDKCQODT-KBXCAEBGSA-N 2 1 340.870 3.293 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000584775172 459800610 /nfs/dbraw/zinc/80/06/10/459800610.db2.gz DZGZLJATEXBNIT-YQFWSFKMSA-N 2 1 344.421 3.046 20 0 EGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000545868470 459862513 /nfs/dbraw/zinc/86/25/13/459862513.db2.gz NJZBGPHXVPCQLS-XYPHTWIQSA-N 2 1 343.298 3.286 20 0 EGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000545868470 459862522 /nfs/dbraw/zinc/86/25/22/459862522.db2.gz NJZBGPHXVPCQLS-XYPHTWIQSA-N 2 1 343.298 3.286 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)CCC=C(C)C)CC2)CC1 ZINC000574770295 459869823 /nfs/dbraw/zinc/86/98/23/459869823.db2.gz IPMCQYYMCUFMEZ-SFHVURJKSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000546016886 459888847 /nfs/dbraw/zinc/88/88/47/459888847.db2.gz QBUBMFOCTPASLE-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000597237889 459890313 /nfs/dbraw/zinc/89/03/13/459890313.db2.gz DZNYULWKQBVQPU-CTNGQTDRSA-N 2 1 344.499 3.363 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccccc3-c3ccccc3)C[C@@H]21 ZINC000575059755 459918915 /nfs/dbraw/zinc/91/89/15/459918915.db2.gz IVMQCDVILOTIDL-YSIASYRMSA-N 2 1 349.478 3.351 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3-c3ccccc3)C[C@@H]21 ZINC000575059755 459918923 /nfs/dbraw/zinc/91/89/23/459918923.db2.gz IVMQCDVILOTIDL-YSIASYRMSA-N 2 1 349.478 3.351 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C/C=C/c3cc(C)c(C)cc3C)C2)CC1 ZINC000602465451 459950388 /nfs/dbraw/zinc/95/03/88/459950388.db2.gz QXZXAMBBMONQCN-XYXUZSOXSA-N 2 1 341.543 3.337 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C/C=C\c3cc(C)c(C)cc3C)C2)CC1 ZINC000602465438 459950531 /nfs/dbraw/zinc/95/05/31/459950531.db2.gz QXZXAMBBMONQCN-DYRFGFBLSA-N 2 1 341.543 3.337 20 0 EGADMP COC(=O)C(C)(C)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602506344 459972026 /nfs/dbraw/zinc/97/20/26/459972026.db2.gz OICDZMSXGJZENI-WMZOPIPTSA-N 2 1 330.472 3.143 20 0 EGADMP COC(=O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602506344 459972034 /nfs/dbraw/zinc/97/20/34/459972034.db2.gz OICDZMSXGJZENI-WMZOPIPTSA-N 2 1 330.472 3.143 20 0 EGADMP COC(=O)c1csc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000602595841 460016202 /nfs/dbraw/zinc/01/62/02/460016202.db2.gz DOQLVLAXGXPXFD-KGLIPLIRSA-N 2 1 336.501 3.277 20 0 EGADMP COC(=O)c1csc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000602595841 460016210 /nfs/dbraw/zinc/01/62/10/460016210.db2.gz DOQLVLAXGXPXFD-KGLIPLIRSA-N 2 1 336.501 3.277 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000575850312 460017190 /nfs/dbraw/zinc/01/71/90/460017190.db2.gz ANNCEJCKOHHRSY-INIZCTEOSA-N 2 1 330.451 3.140 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000575850312 460017199 /nfs/dbraw/zinc/01/71/99/460017199.db2.gz ANNCEJCKOHHRSY-INIZCTEOSA-N 2 1 330.451 3.140 20 0 EGADMP C[C@H](C[S@](C)=O)[N@@H+](C)[C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000602616584 460024267 /nfs/dbraw/zinc/02/42/67/460024267.db2.gz WDFPFEFIJOBBTK-ALIIGJLFSA-N 2 1 334.529 3.053 20 0 EGADMP C[C@H](C[S@](C)=O)N(C)[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602616584 460024274 /nfs/dbraw/zinc/02/42/74/460024274.db2.gz WDFPFEFIJOBBTK-ALIIGJLFSA-N 2 1 334.529 3.053 20 0 EGADMP C[C@H](C[S@](C)=O)N(C)[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602616584 460024280 /nfs/dbraw/zinc/02/42/80/460024280.db2.gz WDFPFEFIJOBBTK-ALIIGJLFSA-N 2 1 334.529 3.053 20 0 EGADMP CCCc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000621727923 460033964 /nfs/dbraw/zinc/03/39/64/460033964.db2.gz WASVIKLYFSQZSI-QGZVFWFLSA-N 2 1 335.561 3.301 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CCN1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798889 460268423 /nfs/dbraw/zinc/26/84/23/460268423.db2.gz HPXXKNDJBPISLK-DYESRHJHSA-N 2 1 342.483 3.361 20 0 EGADMP CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798889 460268429 /nfs/dbraw/zinc/26/84/29/460268429.db2.gz HPXXKNDJBPISLK-DYESRHJHSA-N 2 1 342.483 3.361 20 0 EGADMP CN1CCCC[C@@H]1CC[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798889 460268433 /nfs/dbraw/zinc/26/84/33/460268433.db2.gz HPXXKNDJBPISLK-DYESRHJHSA-N 2 1 342.483 3.361 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625801455 460268775 /nfs/dbraw/zinc/26/87/75/460268775.db2.gz SEOJKOMKQDNXJC-HXUWFJFHSA-N 2 1 339.439 3.082 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625801455 460268781 /nfs/dbraw/zinc/26/87/81/460268781.db2.gz SEOJKOMKQDNXJC-HXUWFJFHSA-N 2 1 339.439 3.082 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@@H](C)C2CCCCC2)CC1 ZINC000625987332 460328385 /nfs/dbraw/zinc/32/83/85/460328385.db2.gz LYDVCTLTILYOEP-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061929 460358950 /nfs/dbraw/zinc/35/89/50/460358950.db2.gz ZJUMLOWYWIMSDQ-HXUWFJFHSA-N 2 1 345.531 3.361 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000615617670 460360423 /nfs/dbraw/zinc/36/04/23/460360423.db2.gz BKRXRNWBSBEGAZ-TZIWHRDSSA-N 2 1 343.515 3.014 20 0 EGADMP CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000626159113 460405846 /nfs/dbraw/zinc/40/58/46/460405846.db2.gz HDPHXNFMKZVOBF-NRFANRHFSA-N 2 1 343.515 3.163 20 0 EGADMP CCC(O)(CC)C[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000628479328 460432781 /nfs/dbraw/zinc/43/27/81/460432781.db2.gz JJHLLEAZUABEMJ-UHFFFAOYSA-N 2 1 334.504 3.144 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cnn(C)c1 ZINC000631664506 460498005 /nfs/dbraw/zinc/49/80/05/460498005.db2.gz OETCYVXOTVPYPF-POAQFYNOSA-N 2 1 326.488 3.229 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000635302908 460739415 /nfs/dbraw/zinc/73/94/15/460739415.db2.gz FSWWGHHGZLSMMK-QGZVFWFLSA-N 2 1 343.515 3.019 20 0 EGADMP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635415119 460776285 /nfs/dbraw/zinc/77/62/85/460776285.db2.gz ABIACVLJUAXKSO-HXUWFJFHSA-N 2 1 341.499 3.280 20 0 EGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000629539988 460800604 /nfs/dbraw/zinc/80/06/04/460800604.db2.gz SVRWGMKEFVQQBN-NSHGMRRFSA-N 2 1 331.504 3.232 20 0 EGADMP CCN(C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1)C1CC[NH+](C)CC1 ZINC000627619517 460864711 /nfs/dbraw/zinc/86/47/11/460864711.db2.gz KYQBMTHYKBFVCX-UHFFFAOYSA-N 2 1 345.531 3.473 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000624121193 460869401 /nfs/dbraw/zinc/86/94/01/460869401.db2.gz PTMLYGPTDNPEBA-HUUCEWRRSA-N 2 1 329.488 3.299 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000624121192 460870148 /nfs/dbraw/zinc/87/01/48/460870148.db2.gz PTMLYGPTDNPEBA-GJZGRUSLSA-N 2 1 329.488 3.299 20 0 EGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624180368 460897975 /nfs/dbraw/zinc/89/79/75/460897975.db2.gz JPWVVNLFYLDTOF-QGZVFWFLSA-N 2 1 345.462 3.001 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)[C@@H](C)C1 ZINC000607957039 460947560 /nfs/dbraw/zinc/94/75/60/460947560.db2.gz TWAUDHQIYGASHZ-LAUBAEHRSA-N 2 1 339.483 3.481 20 0 EGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3CC[N@H+]3C3CCCC3)ccc21 ZINC000635996905 461002729 /nfs/dbraw/zinc/00/27/29/461002729.db2.gz LBYRXPLSHYFSNQ-RTBURBONSA-N 2 1 327.472 3.191 20 0 EGADMP C[N@H+](CCCO)C1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628175200 461033295 /nfs/dbraw/zinc/03/32/95/461033295.db2.gz NGYDHDCHZALTND-UHFFFAOYSA-N 2 1 344.421 3.027 20 0 EGADMP C[N@@H+](CCCO)C1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628175200 461033301 /nfs/dbraw/zinc/03/33/01/461033301.db2.gz NGYDHDCHZALTND-UHFFFAOYSA-N 2 1 344.421 3.027 20 0 EGADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000628186543 461037162 /nfs/dbraw/zinc/03/71/62/461037162.db2.gz NRAIXJWNNLKEKQ-SFHLNBCPSA-N 2 1 329.532 3.056 20 0 EGADMP Cc1ccc(C)c(OCCC[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652346890 461141458 /nfs/dbraw/zinc/14/14/58/461141458.db2.gz LAVSAXHOOQDVSD-QKNQBKEWSA-N 2 1 346.515 3.291 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000652347773 461142907 /nfs/dbraw/zinc/14/29/07/461142907.db2.gz LMHBTPRISROMIW-QXAKKESOSA-N 2 1 336.907 3.491 20 0 EGADMP C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc3ccccc32)[C@@H]1CC[NH3+] ZINC000652353558 461146394 /nfs/dbraw/zinc/14/63/94/461146394.db2.gz QPCNLEAYEGKPRD-DNVCBOLYSA-N 2 1 325.456 3.228 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc3ccccc32)[C@@H]1CC[NH3+] ZINC000652353558 461146400 /nfs/dbraw/zinc/14/64/00/461146400.db2.gz QPCNLEAYEGKPRD-DNVCBOLYSA-N 2 1 325.456 3.228 20 0 EGADMP c1ccc(CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H]2CCOC2)cc1 ZINC000662257134 461147523 /nfs/dbraw/zinc/14/75/23/461147523.db2.gz ASSLAASNXDGNQA-OAQYLSRUSA-N 2 1 336.479 3.166 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])cc2)n1 ZINC000652355108 461150409 /nfs/dbraw/zinc/15/04/09/461150409.db2.gz PMBMHJTXNATPOE-FOIQADDNSA-N 2 1 326.488 3.438 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ncc(-c3cccs3)o2)C1 ZINC000652362526 461155871 /nfs/dbraw/zinc/15/58/71/461155871.db2.gz JCRDYJIFJXUMOT-ILXRZTDVSA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ncc(-c3cccs3)o2)C1 ZINC000652362526 461155878 /nfs/dbraw/zinc/15/58/78/461155878.db2.gz JCRDYJIFJXUMOT-ILXRZTDVSA-N 2 1 347.484 3.264 20 0 EGADMP CC(C)(C)c1csc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)n1 ZINC000652364123 461157914 /nfs/dbraw/zinc/15/79/14/461157914.db2.gz YSWFRHPUUGFTMR-KFWWJZLASA-N 2 1 337.533 3.301 20 0 EGADMP CC(C)(C)c1csc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)n1 ZINC000652364123 461157923 /nfs/dbraw/zinc/15/79/23/461157923.db2.gz YSWFRHPUUGFTMR-KFWWJZLASA-N 2 1 337.533 3.301 20 0 EGADMP CC[NH+](CC)Cc1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000641179012 461167939 /nfs/dbraw/zinc/16/79/39/461167939.db2.gz DWZXVDSJCZVTMA-UHFFFAOYSA-N 2 1 341.503 3.154 20 0 EGADMP CN1CCC[C@@H]1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000649617363 461223740 /nfs/dbraw/zinc/22/37/40/461223740.db2.gz GLJQHEQSJPVDOK-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP C[N@@H+]1CCC[C@@H]1CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000649617363 461223745 /nfs/dbraw/zinc/22/37/45/461223745.db2.gz GLJQHEQSJPVDOK-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP C[N@H+]1CCC[C@@H]1CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000649617363 461223750 /nfs/dbraw/zinc/22/37/50/461223750.db2.gz GLJQHEQSJPVDOK-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP CC[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000638079405 461228219 /nfs/dbraw/zinc/22/82/19/461228219.db2.gz CTVOGIJRPGPTLX-MRXNPFEDSA-N 2 1 331.504 3.065 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000633802782 461278879 /nfs/dbraw/zinc/27/88/79/461278879.db2.gz JVZFNJZSHDUUFG-SCTDSRPQSA-N 2 1 345.531 3.037 20 0 EGADMP CN(CCCC[NH+]1CCCCC1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000641663752 461312297 /nfs/dbraw/zinc/31/22/97/461312297.db2.gz UVIWXUYRNVLYKP-IBGZPJMESA-N 2 1 335.536 3.118 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2[NH2+]CCC2(C)C)cc1 ZINC000662675328 461344188 /nfs/dbraw/zinc/34/41/88/461344188.db2.gz LKKYVPPKSCSELG-APWZRJJASA-N 2 1 343.515 3.065 20 0 EGADMP CC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000633965721 461361079 /nfs/dbraw/zinc/36/10/79/461361079.db2.gz RBBMMSIWVRNMKP-IBGZPJMESA-N 2 1 347.547 3.260 20 0 EGADMP CCN(CCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655696405 461368035 /nfs/dbraw/zinc/36/80/35/461368035.db2.gz ORDXDHUCQPXTRR-NRFANRHFSA-N 2 1 345.531 3.136 20 0 EGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000641799185 461378744 /nfs/dbraw/zinc/37/87/44/461378744.db2.gz OBCNGFSJKJQIFH-ROUUACIJSA-N 2 1 325.456 3.472 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000641805181 461380652 /nfs/dbraw/zinc/38/06/52/461380652.db2.gz MZLBOGLHVBQTDP-CKLFPEKLSA-N 2 1 330.259 3.036 20 0 EGADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000641805162 461381117 /nfs/dbraw/zinc/38/11/17/461381117.db2.gz MNSRGRZHYVNSAC-ROUUACIJSA-N 2 1 339.439 3.133 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCO2)cc1 ZINC000655754822 461420612 /nfs/dbraw/zinc/42/06/12/461420612.db2.gz IGJAIVMPAYHBFL-HKBOAZHASA-N 2 1 344.499 3.140 20 0 EGADMP C[C@H](N[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C(=O)NC(C)(C)C ZINC000638426535 461423615 /nfs/dbraw/zinc/42/36/15/461423615.db2.gz UQHYIEKJPOKILV-IEZWGBDMSA-N 2 1 343.515 3.247 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)C(=O)NC(C)(C)C ZINC000638426535 461423620 /nfs/dbraw/zinc/42/36/20/461423620.db2.gz UQHYIEKJPOKILV-IEZWGBDMSA-N 2 1 343.515 3.247 20 0 EGADMP Cc1ccc(C(C)(C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(C)c1 ZINC000655769386 461435255 /nfs/dbraw/zinc/43/52/55/461435255.db2.gz HJHSTYZDOAJJBJ-IBGZPJMESA-N 2 1 330.516 3.424 20 0 EGADMP Cc1cc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Cl ZINC000655769427 461435865 /nfs/dbraw/zinc/43/58/65/461435865.db2.gz HVKMZFMAJYRMMD-SFHVURJKSA-N 2 1 336.907 3.424 20 0 EGADMP COc1cccc([C@@H]2C[C@H]2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655776811 461440331 /nfs/dbraw/zinc/44/03/31/461440331.db2.gz PHPOSFRMKRODCM-YYWHXJBOSA-N 2 1 344.499 3.032 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCCCCO)C1 ZINC000638566415 461487025 /nfs/dbraw/zinc/48/70/25/461487025.db2.gz IAVCVOZJBZNXCV-GOSISDBHSA-N 2 1 334.504 3.048 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCCCCO)C1 ZINC000638566415 461487034 /nfs/dbraw/zinc/48/70/34/461487034.db2.gz IAVCVOZJBZNXCV-GOSISDBHSA-N 2 1 334.504 3.048 20 0 EGADMP C[C@H](Cc1ccccn1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000655839696 461489706 /nfs/dbraw/zinc/48/97/06/461489706.db2.gz YNIGEMUPAZAXLN-QGZVFWFLSA-N 2 1 341.474 3.448 20 0 EGADMP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638580146 461492051 /nfs/dbraw/zinc/49/20/51/461492051.db2.gz DXURDXJCVYGWSJ-IEBWSBKVSA-N 2 1 343.515 3.249 20 0 EGADMP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638580146 461492052 /nfs/dbraw/zinc/49/20/52/461492052.db2.gz DXURDXJCVYGWSJ-IEBWSBKVSA-N 2 1 343.515 3.249 20 0 EGADMP c1ccc(C[NH+]2CCC(N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000655850460 461498987 /nfs/dbraw/zinc/49/89/87/461498987.db2.gz VSSFQEAGCPNHKV-RTWAWAEBSA-N 2 1 327.516 3.258 20 0 EGADMP c1ccc(C[NH+]2CCC(N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000655850460 461498996 /nfs/dbraw/zinc/49/89/96/461498996.db2.gz VSSFQEAGCPNHKV-RTWAWAEBSA-N 2 1 327.516 3.258 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000666220033 461513761 /nfs/dbraw/zinc/51/37/61/461513761.db2.gz ZKEPRWWKQIYNIE-MXEMCNAFSA-N 2 1 346.515 3.071 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000666220033 461513769 /nfs/dbraw/zinc/51/37/69/461513769.db2.gz ZKEPRWWKQIYNIE-MXEMCNAFSA-N 2 1 346.515 3.071 20 0 EGADMP Cn1cc(CCC[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000638670799 461525541 /nfs/dbraw/zinc/52/55/41/461525541.db2.gz LAJAOEACJSKNSF-FUHWJXTLSA-N 2 1 332.517 3.087 20 0 EGADMP Cn1cc(CCC[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000638670799 461525549 /nfs/dbraw/zinc/52/55/49/461525549.db2.gz LAJAOEACJSKNSF-FUHWJXTLSA-N 2 1 332.517 3.087 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CO)cc2)[C@@H]1c1cccs1 ZINC000638670786 461526377 /nfs/dbraw/zinc/52/63/77/461526377.db2.gz KNBNKSVQCNALPY-PKOBYXMFSA-N 2 1 330.497 3.413 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CO)cc2)[C@@H]1c1cccs1 ZINC000638670786 461526381 /nfs/dbraw/zinc/52/63/81/461526381.db2.gz KNBNKSVQCNALPY-PKOBYXMFSA-N 2 1 330.497 3.413 20 0 EGADMP Brc1cncc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663345642 461573286 /nfs/dbraw/zinc/57/32/86/461573286.db2.gz MFDWNZZFSVRZMC-CQSZACIVSA-N 2 1 338.293 3.056 20 0 EGADMP Brc1cncc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663345642 461573288 /nfs/dbraw/zinc/57/32/88/461573288.db2.gz MFDWNZZFSVRZMC-CQSZACIVSA-N 2 1 338.293 3.056 20 0 EGADMP CC(=O)c1[nH]c(CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nc1C ZINC000660120831 461594230 /nfs/dbraw/zinc/59/42/30/461594230.db2.gz JHMYPHIERDLRDF-UHFFFAOYSA-N 2 1 346.519 3.051 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000653271737 461600873 /nfs/dbraw/zinc/60/08/73/461600873.db2.gz JHQKEYKJPDUZPU-UHFFFAOYSA-N 2 1 331.504 3.038 20 0 EGADMP COc1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)on1 ZINC000660150602 461608434 /nfs/dbraw/zinc/60/84/34/461608434.db2.gz RETXWONBZHGIEC-UHFFFAOYSA-N 2 1 341.455 3.171 20 0 EGADMP COc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)on1 ZINC000660150602 461608445 /nfs/dbraw/zinc/60/84/45/461608445.db2.gz RETXWONBZHGIEC-UHFFFAOYSA-N 2 1 341.455 3.171 20 0 EGADMP COCc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000631196854 461635928 /nfs/dbraw/zinc/63/59/28/461635928.db2.gz VTQHGBHKQMYJFO-WMZOPIPTSA-N 2 1 328.456 3.284 20 0 EGADMP COCc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000631196854 461635937 /nfs/dbraw/zinc/63/59/37/461635937.db2.gz VTQHGBHKQMYJFO-WMZOPIPTSA-N 2 1 328.456 3.284 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(CNc3[nH+]ccc4[nH]ccc43)c2)CCO1 ZINC000663427243 461636241 /nfs/dbraw/zinc/63/62/41/461636241.db2.gz ULCBVAZZCGYRTF-HNNXBMFYSA-N 2 1 336.439 3.396 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(CNc3[nH+]ccc4[nH]ccc43)c2)CCO1 ZINC000663427243 461636247 /nfs/dbraw/zinc/63/62/47/461636247.db2.gz ULCBVAZZCGYRTF-HNNXBMFYSA-N 2 1 336.439 3.396 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663469514 461659144 /nfs/dbraw/zinc/65/91/44/461659144.db2.gz PYFFDAHSGIVCDF-QFBILLFUSA-N 2 1 346.515 3.346 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(OC)c1 ZINC000663470630 461660753 /nfs/dbraw/zinc/66/07/53/461660753.db2.gz VQYYFVYILDCPNG-RDJZCZTQSA-N 2 1 332.488 3.476 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(OC)c1 ZINC000663470630 461660755 /nfs/dbraw/zinc/66/07/55/461660755.db2.gz VQYYFVYILDCPNG-RDJZCZTQSA-N 2 1 332.488 3.476 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000656271631 461696724 /nfs/dbraw/zinc/69/67/24/461696724.db2.gz JKEATRSRHIXHRW-HXUWFJFHSA-N 2 1 332.488 3.161 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663595681 461717468 /nfs/dbraw/zinc/71/74/68/461717468.db2.gz JFXDHOIOIPESLG-SFHVURJKSA-N 2 1 344.503 3.040 20 0 EGADMP CC[NH2+]CCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000643499030 461746259 /nfs/dbraw/zinc/74/62/59/461746259.db2.gz NJZLQOHLEJDABQ-AWEZNQCLSA-N 2 1 327.266 3.252 20 0 EGADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647542805 461757216 /nfs/dbraw/zinc/75/72/16/461757216.db2.gz CAIOMMZWSAYJIF-MOPGFXCFSA-N 2 1 330.520 3.138 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000643536816 461757491 /nfs/dbraw/zinc/75/74/91/461757491.db2.gz WBBCEPGJEPPMTI-SOAGJPPSSA-N 3 1 327.516 3.161 20 0 EGADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cnc21 ZINC000647543956 461758630 /nfs/dbraw/zinc/75/86/30/461758630.db2.gz UUPSJPGMSDHZOP-ZWKOTPCHSA-N 2 1 341.503 3.224 20 0 EGADMP Cn1c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc2cc(Cl)ccc21 ZINC000647544247 461759056 /nfs/dbraw/zinc/75/90/56/461759056.db2.gz YMTUZWVDJUBGEB-LSDHHAIUSA-N 2 1 346.906 3.438 20 0 EGADMP COc1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)O[C@H](C)C2 ZINC000647543718 461759112 /nfs/dbraw/zinc/75/91/12/461759112.db2.gz RLPPTYGUPFHEMH-IKGGRYGDSA-N 2 1 344.499 3.230 20 0 EGADMP COc1cccc(CC2CC[NH+](CCCc3c[nH+]cn3C)CC2)c1 ZINC000653612686 461760131 /nfs/dbraw/zinc/76/01/31/461760131.db2.gz ABZXIPYPZOWWAX-UHFFFAOYSA-N 2 1 327.472 3.316 20 0 EGADMP Cc1cccc2nc(CC[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)cn21 ZINC000647553492 461765232 /nfs/dbraw/zinc/76/52/32/461765232.db2.gz BGJAJWBSULHZCE-ICSRJNTNSA-N 2 1 334.467 3.268 20 0 EGADMP CC[C@H]1c2ccccc2CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000669690152 461768969 /nfs/dbraw/zinc/76/89/69/461768969.db2.gz KLZCVVJDGZMEQH-NRFANRHFSA-N 2 1 329.532 3.412 20 0 EGADMP COc1cc(Cl)c(C[N@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000639174704 461780242 /nfs/dbraw/zinc/78/02/42/461780242.db2.gz DMTFXYKTGKUHSN-UHFFFAOYSA-N 2 1 337.851 3.384 20 0 EGADMP COc1cc(Cl)c(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000639174704 461780247 /nfs/dbraw/zinc/78/02/47/461780247.db2.gz DMTFXYKTGKUHSN-UHFFFAOYSA-N 2 1 337.851 3.384 20 0 EGADMP C[C@H]([NH2+]Cc1cnn(Cc2ccccc2Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000666774145 461796449 /nfs/dbraw/zinc/79/64/49/461796449.db2.gz FYUWYEBIAIFLCI-GOEBONIOSA-N 2 1 332.879 3.063 20 0 EGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660472414 461799490 /nfs/dbraw/zinc/79/94/90/461799490.db2.gz FMUZBUVFDLDOAB-LJQANCHMSA-N 2 1 331.504 3.200 20 0 EGADMP C[C@]1(C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CCC[NH2+]C1 ZINC000666842299 461829407 /nfs/dbraw/zinc/82/94/07/461829407.db2.gz RQOQODCXRGXZGX-SFHVURJKSA-N 2 1 332.879 3.064 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)C1 ZINC000647788978 461835852 /nfs/dbraw/zinc/83/58/52/461835852.db2.gz WIAGPFYFIIKBSB-BRKWEVRTSA-N 3 1 341.543 3.396 20 0 EGADMP Cc1cccc([C@H](CNc2[nH+]ccc3[nH]ccc32)[NH+]2CCOCC2)c1 ZINC000647856205 461861532 /nfs/dbraw/zinc/86/15/32/461861532.db2.gz SJPDPOCVXHNDII-IBGZPJMESA-N 2 1 336.439 3.357 20 0 EGADMP COc1cc(C)c([C@H](C)[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1C ZINC000639334169 461866588 /nfs/dbraw/zinc/86/65/88/461866588.db2.gz ADNCGGCNFMYTAY-ZWKOTPCHSA-N 2 1 334.504 3.416 20 0 EGADMP Clc1ccc(O[C@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000647891538 461871901 /nfs/dbraw/zinc/87/19/01/461871901.db2.gz NIUZHZYREOAFSB-OCCSQVGLSA-N 2 1 329.271 3.446 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000660621370 461884582 /nfs/dbraw/zinc/88/45/82/461884582.db2.gz MJBXPSXNHYDBLV-WBVHZDCISA-N 2 1 342.936 3.208 20 0 EGADMP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656783892 461893642 /nfs/dbraw/zinc/89/36/42/461893642.db2.gz BASKKDYHFYVKNH-HNNXBMFYSA-N 2 1 330.501 3.350 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788736 461898116 /nfs/dbraw/zinc/89/81/16/461898116.db2.gz YIDFAGJLZYYEHY-UHFFFAOYSA-N 2 1 326.488 3.218 20 0 EGADMP CCCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650705983 461899374 /nfs/dbraw/zinc/89/93/74/461899374.db2.gz BLTKNFIEKFQFNI-BJLQDIEVSA-N 2 1 332.488 3.194 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3F)C2)C1 ZINC000650707825 461901110 /nfs/dbraw/zinc/90/11/10/461901110.db2.gz NSDAOHZFCIBOJN-LXZKKBNFSA-N 2 1 326.843 3.197 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cnc(C4CCC4)s3)C2)C1 ZINC000650707593 461902324 /nfs/dbraw/zinc/90/23/24/461902324.db2.gz JCVVBBNARAAOOD-BFYDXBDKSA-N 2 1 335.517 3.129 20 0 EGADMP c1ccc(OCc2cccnc2)c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666995010 461903173 /nfs/dbraw/zinc/90/31/73/461903173.db2.gz ACTSDRBQYNNQPI-LJQANCHMSA-N 2 1 337.467 3.425 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)[C@H]1CC[NH3+] ZINC000650711508 461904690 /nfs/dbraw/zinc/90/46/90/461904690.db2.gz WCGFXSBKUGYQAZ-AHRSYUTCSA-N 2 1 332.488 3.194 20 0 EGADMP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666997146 461904750 /nfs/dbraw/zinc/90/47/50/461904750.db2.gz YXEVKCGUFATURZ-CYBMUJFWSA-N 2 1 326.387 3.061 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)[C@@H]1CC[NH3+] ZINC000650711079 461905158 /nfs/dbraw/zinc/90/51/58/461905158.db2.gz HPFKNZMBOZMOJS-MAUKXSAKSA-N 2 1 326.444 3.218 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(OC(F)F)cc2)C1 ZINC000650721862 461913219 /nfs/dbraw/zinc/91/32/19/461913219.db2.gz DLWAXDSPOALXDJ-DJIMGWMZSA-N 2 1 340.414 3.149 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc3cccnc32)C1 ZINC000650721995 461915100 /nfs/dbraw/zinc/91/51/00/461915100.db2.gz HZPONRVUERFBEY-GUDVDZBRSA-N 2 1 325.456 3.096 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000647976626 461919454 /nfs/dbraw/zinc/91/94/54/461919454.db2.gz RFQPPESCWCSKCH-OTWHNJEPSA-N 2 1 343.515 3.342 20 0 EGADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000660694397 461927669 /nfs/dbraw/zinc/92/76/69/461927669.db2.gz CGDYBWZYNCEKIV-UHFFFAOYSA-N 2 1 338.923 3.345 20 0 EGADMP C[C@H]1OCC[C@@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639553589 461985232 /nfs/dbraw/zinc/98/52/32/461985232.db2.gz OQKAWBCSOVQYDS-UYAOXDASSA-N 2 1 328.500 3.400 20 0 EGADMP CCc1cc(NCC2CC[NH+](Cc3ccncc3)CC2)nc(C)[nH+]1 ZINC000664283868 462002779 /nfs/dbraw/zinc/00/27/79/462002779.db2.gz XBMWGFPZTMAMEG-UHFFFAOYSA-N 2 1 325.460 3.067 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000644637122 462017608 /nfs/dbraw/zinc/01/76/08/462017608.db2.gz ABIVHQAUASUCGD-HSALFYBXSA-N 2 1 344.886 3.278 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000644637122 462017615 /nfs/dbraw/zinc/01/76/15/462017615.db2.gz ABIVHQAUASUCGD-HSALFYBXSA-N 2 1 344.886 3.278 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657310353 462035373 /nfs/dbraw/zinc/03/53/73/462035373.db2.gz CCJFZPBFOYJOOL-WIYYLYMNSA-N 2 1 346.515 3.456 20 0 EGADMP CC(C)c1n[nH]c(CC2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000639719168 462075518 /nfs/dbraw/zinc/07/55/18/462075518.db2.gz ZWJJOZNAEKYZCJ-QGZVFWFLSA-N 2 1 333.524 3.057 20 0 EGADMP COCc1csc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000657388288 462091215 /nfs/dbraw/zinc/09/12/15/462091215.db2.gz BXWOXKAYVUKUOU-UHFFFAOYSA-N 2 1 346.500 3.060 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000667493797 462110398 /nfs/dbraw/zinc/11/03/98/462110398.db2.gz CPCPTUWKUJIXFN-KRWDZBQOSA-N 2 1 334.504 3.405 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000667493797 462110402 /nfs/dbraw/zinc/11/04/02/462110402.db2.gz CPCPTUWKUJIXFN-KRWDZBQOSA-N 2 1 334.504 3.405 20 0 EGADMP C[C@@H](CCCc1cccnc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000651228796 462145962 /nfs/dbraw/zinc/14/59/62/462145962.db2.gz CIUGWIQDSOIGEK-PXNSSMCTSA-N 2 1 331.504 3.026 20 0 EGADMP Cc1[nH+]cc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1C ZINC000667618247 462176193 /nfs/dbraw/zinc/17/61/93/462176193.db2.gz QVVJZNAXNCBSFC-LPHOPBHVSA-N 2 1 326.488 3.213 20 0 EGADMP Cc1[nH+]cc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1C ZINC000667618247 462176200 /nfs/dbraw/zinc/17/62/00/462176200.db2.gz QVVJZNAXNCBSFC-LPHOPBHVSA-N 2 1 326.488 3.213 20 0 EGADMP CC(C)(C)[N@@H+]1CC[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000657563743 462181875 /nfs/dbraw/zinc/18/18/75/462181875.db2.gz UWLLZPLERMWDPH-LJQANCHMSA-N 2 1 345.531 3.124 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000657563743 462181880 /nfs/dbraw/zinc/18/18/80/462181880.db2.gz UWLLZPLERMWDPH-LJQANCHMSA-N 2 1 345.531 3.124 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3cccs3)CC2)CC1 ZINC000654391842 462202000 /nfs/dbraw/zinc/20/20/00/462202000.db2.gz DCGPTGGLFGDJJI-OAHLLOKOSA-N 2 1 349.544 3.122 20 0 EGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667681432 462211665 /nfs/dbraw/zinc/21/16/65/462211665.db2.gz JHGGPCJDMFRAOE-CTNGQTDRSA-N 2 1 344.499 3.018 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667681432 462211670 /nfs/dbraw/zinc/21/16/70/462211670.db2.gz JHGGPCJDMFRAOE-CTNGQTDRSA-N 2 1 344.499 3.018 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667681432 462211676 /nfs/dbraw/zinc/21/16/76/462211676.db2.gz JHGGPCJDMFRAOE-CTNGQTDRSA-N 2 1 344.499 3.018 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667681432 462211684 /nfs/dbraw/zinc/21/16/84/462211684.db2.gz JHGGPCJDMFRAOE-CTNGQTDRSA-N 2 1 344.499 3.018 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000667705535 462224642 /nfs/dbraw/zinc/22/46/42/462224642.db2.gz FXSOXHGSCSHNHV-XKGZKEIXSA-N 2 1 332.488 3.016 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000667705535 462224648 /nfs/dbraw/zinc/22/46/48/462224648.db2.gz FXSOXHGSCSHNHV-XKGZKEIXSA-N 2 1 332.488 3.016 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000667705535 462224653 /nfs/dbraw/zinc/22/46/53/462224653.db2.gz FXSOXHGSCSHNHV-XKGZKEIXSA-N 2 1 332.488 3.016 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCn3nccc32)[C@@H]1c1cccs1 ZINC000657886306 462307161 /nfs/dbraw/zinc/30/71/61/462307161.db2.gz DSPYZVYGBAOIHK-IIDMSEBBSA-N 2 1 330.501 3.452 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCn3nccc32)[C@@H]1c1cccs1 ZINC000657886306 462307168 /nfs/dbraw/zinc/30/71/68/462307168.db2.gz DSPYZVYGBAOIHK-IIDMSEBBSA-N 2 1 330.501 3.452 20 0 EGADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000657882015 462307772 /nfs/dbraw/zinc/30/77/72/462307772.db2.gz WGWUQESVQAULEB-MOPGFXCFSA-N 2 1 338.923 3.488 20 0 EGADMP CCOC1CCC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000657970238 462333677 /nfs/dbraw/zinc/33/36/77/462333677.db2.gz ZPLZPNGDBXNOGB-KBWCOIMZSA-N 2 1 346.515 3.081 20 0 EGADMP CC[N@@H+](CCCNCc1ccc2c(c1)NC(=O)CO2)C1CCCCC1 ZINC000651910598 462376328 /nfs/dbraw/zinc/37/63/28/462376328.db2.gz ZYIBZJYDKSLLDH-UHFFFAOYSA-N 2 1 345.487 3.152 20 0 EGADMP CC[N@H+](CCC[NH2+]Cc1ccc2c(c1)NC(=O)CO2)C1CCCCC1 ZINC000651910598 462376332 /nfs/dbraw/zinc/37/63/32/462376332.db2.gz ZYIBZJYDKSLLDH-UHFFFAOYSA-N 2 1 345.487 3.152 20 0 EGADMP CC[N@@H+](CCC[NH2+]Cc1ccc2c(c1)NC(=O)CO2)C1CCCCC1 ZINC000651910598 462376335 /nfs/dbraw/zinc/37/63/35/462376335.db2.gz ZYIBZJYDKSLLDH-UHFFFAOYSA-N 2 1 345.487 3.152 20 0 EGADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000665273045 462378942 /nfs/dbraw/zinc/37/89/42/462378942.db2.gz PHQDXUKFENUGNR-XSDIEEQYSA-N 2 1 338.499 3.214 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000665299007 462389750 /nfs/dbraw/zinc/38/97/50/462389750.db2.gz DUVBUMFAXGRTLF-HNAYVOBHSA-N 2 1 347.466 3.373 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000649306164 462474588 /nfs/dbraw/zinc/47/45/88/462474588.db2.gz DKSRBXPDXHJIKI-GOSISDBHSA-N 2 1 345.874 3.108 20 0 EGADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000649413601 462503442 /nfs/dbraw/zinc/50/34/42/462503442.db2.gz PLFZVJYNWCLTRB-IRXDYDNUSA-N 2 1 326.488 3.406 20 0 EGADMP CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418172 462504669 /nfs/dbraw/zinc/50/46/69/462504669.db2.gz BAUYVHMQMZPQBH-BZUAXINKSA-N 2 1 337.533 3.452 20 0 EGADMP CCO[C@H](C)c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418172 462504672 /nfs/dbraw/zinc/50/46/72/462504672.db2.gz BAUYVHMQMZPQBH-BZUAXINKSA-N 2 1 337.533 3.452 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000662049468 462512487 /nfs/dbraw/zinc/51/24/87/462512487.db2.gz HTJVZEFNOQNUAY-UHFFFAOYSA-N 2 1 325.456 3.441 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](CC1CCC(C(F)(F)F)CC1)CCO2 ZINC000646106158 462518843 /nfs/dbraw/zinc/51/88/43/462518843.db2.gz QEZUYCWTYJHWAK-UHFFFAOYSA-N 2 1 334.426 3.152 20 0 EGADMP COc1ccc(C[C@H](C)C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1F ZINC000185270465 533786391 /nfs/dbraw/zinc/78/63/91/533786391.db2.gz BUWIKHPTPYZWAI-LSDHHAIUSA-N 2 1 333.451 3.444 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(C(=O)OC)c1 ZINC000191471735 528865347 /nfs/dbraw/zinc/86/53/47/528865347.db2.gz RYYPTYCTTPKONS-UHFFFAOYSA-N 2 1 329.444 3.144 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(C(=O)OC)c1 ZINC000191471735 528865351 /nfs/dbraw/zinc/86/53/51/528865351.db2.gz RYYPTYCTTPKONS-UHFFFAOYSA-N 2 1 329.444 3.144 20 0 EGADMP CC(C)[NH+](CCC[NH2+]Cc1ccc2c(c1)CCC(=O)N2C)C(C)C ZINC000187276369 528886308 /nfs/dbraw/zinc/88/63/08/528886308.db2.gz FUJAKUFCBVKZDD-UHFFFAOYSA-N 2 1 331.504 3.194 20 0 EGADMP CC(C)O[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1(C)C ZINC000185240863 534932487 /nfs/dbraw/zinc/93/24/87/534932487.db2.gz KHKJHDRGCJMADV-ROUUACIJSA-N 2 1 338.536 3.203 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000246893127 534949455 /nfs/dbraw/zinc/94/94/55/534949455.db2.gz FMOZIAVASWNUDI-MJGOQNOKSA-N 2 1 326.488 3.314 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000246893127 534949465 /nfs/dbraw/zinc/94/94/65/534949465.db2.gz FMOZIAVASWNUDI-MJGOQNOKSA-N 2 1 326.488 3.314 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000265039642 535964598 /nfs/dbraw/zinc/96/45/98/535964598.db2.gz MVHFYQNHUBLCMX-GFCCVEGCSA-N 2 1 344.286 3.206 20 0 EGADMP Clc1ccc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1Cl ZINC000039448448 546539737 /nfs/dbraw/zinc/53/97/37/546539737.db2.gz FLNKJTIIBXCQSM-ZDUSSCGKSA-N 2 1 328.287 3.115 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1nc(-c2ccccc2)no1 ZINC000090911269 546661783 /nfs/dbraw/zinc/66/17/83/546661783.db2.gz CIEAYBGONLGCPO-HYVNUMGLSA-N 2 1 326.444 3.057 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563681 546684578 /nfs/dbraw/zinc/68/45/78/546684578.db2.gz LETFWLWQQPIRME-HXUWFJFHSA-N 3 1 345.531 3.077 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563681 546684584 /nfs/dbraw/zinc/68/45/84/546684584.db2.gz LETFWLWQQPIRME-HXUWFJFHSA-N 3 1 345.531 3.077 20 0 EGADMP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000121395259 546724934 /nfs/dbraw/zinc/72/49/34/546724934.db2.gz RHZUOFMBJQEYAA-BFUOFWGJSA-N 2 1 336.426 3.043 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC[NH+](C)CC1 ZINC000126904864 546763771 /nfs/dbraw/zinc/76/37/71/546763771.db2.gz GXSZBARNZJRSAL-IAGOWNOFSA-N 3 1 335.561 3.280 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC[NH+](C)CC1 ZINC000126904864 546763774 /nfs/dbraw/zinc/76/37/74/546763774.db2.gz GXSZBARNZJRSAL-IAGOWNOFSA-N 3 1 335.561 3.280 20 0 EGADMP Fc1ccc(CN2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1F ZINC000339069866 547568247 /nfs/dbraw/zinc/56/82/47/547568247.db2.gz YCLOPBQBKKIVPO-MSOLQXFVSA-N 2 1 349.469 3.146 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339066404 547568932 /nfs/dbraw/zinc/56/89/32/547568932.db2.gz CAZUOKRYFYNSDZ-OALUTQOASA-N 2 1 332.488 3.127 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339066404 547568934 /nfs/dbraw/zinc/56/89/34/547568934.db2.gz CAZUOKRYFYNSDZ-OALUTQOASA-N 2 1 332.488 3.127 20 0 EGADMP c1csc(C[NH+]2CCC[C@H](CN[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000339068281 547569561 /nfs/dbraw/zinc/56/95/61/547569561.db2.gz CWRWGCPATRGMIF-SQNIBIBYSA-N 2 1 333.545 3.177 20 0 EGADMP c1csc(C[N@H+]2CCC[C@H](CN[C@H]3CC[NH+]4CCC[C@H]4C3)C2)c1 ZINC000339068281 547569568 /nfs/dbraw/zinc/56/95/68/547569568.db2.gz CWRWGCPATRGMIF-SQNIBIBYSA-N 2 1 333.545 3.177 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@H](CN[C@H]3CC[NH+]4CCC[C@H]4C3)C2)c1 ZINC000339068281 547569572 /nfs/dbraw/zinc/56/95/72/547569572.db2.gz CWRWGCPATRGMIF-SQNIBIBYSA-N 2 1 333.545 3.177 20 0 EGADMP c1csc(CN2CCC[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000339068281 547569576 /nfs/dbraw/zinc/56/95/76/547569576.db2.gz CWRWGCPATRGMIF-SQNIBIBYSA-N 2 1 333.545 3.177 20 0 EGADMP c1csc(CN2CCC[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000339068281 547569581 /nfs/dbraw/zinc/56/95/81/547569581.db2.gz CWRWGCPATRGMIF-SQNIBIBYSA-N 2 1 333.545 3.177 20 0 EGADMP C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000390591086 547829205 /nfs/dbraw/zinc/82/92/05/547829205.db2.gz PGPNDNKTDAVXSJ-CWJKEVGVSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000390591086 547829207 /nfs/dbraw/zinc/82/92/07/547829207.db2.gz PGPNDNKTDAVXSJ-CWJKEVGVSA-N 2 1 329.532 3.407 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)sn1 ZINC000399140346 547836750 /nfs/dbraw/zinc/83/67/50/547836750.db2.gz UEDCBOBOQKMSPA-WMLDXEAASA-N 2 1 331.485 3.152 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3cnc(C4CC4)nc3)C2)cc1 ZINC000656493947 548167717 /nfs/dbraw/zinc/16/77/17/548167717.db2.gz LNCSCUIYTWVMPB-SFHVURJKSA-N 2 1 336.483 3.356 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3cnc(C4CC4)nc3)C2)cc1 ZINC000656493947 548167721 /nfs/dbraw/zinc/16/77/21/548167721.db2.gz LNCSCUIYTWVMPB-SFHVURJKSA-N 2 1 336.483 3.356 20 0 EGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000675897996 549000257 /nfs/dbraw/zinc/00/02/57/549000257.db2.gz CBRBITFYOOUYKF-YADHBBJMSA-N 2 1 336.479 3.209 20 0 EGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000675897996 549000258 /nfs/dbraw/zinc/00/02/58/549000258.db2.gz CBRBITFYOOUYKF-YADHBBJMSA-N 2 1 336.479 3.209 20 0 EGADMP CCc1oc2ccccc2c1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000678258868 549447810 /nfs/dbraw/zinc/44/78/10/549447810.db2.gz QDYIBTQKUOQRDR-KRWDZBQOSA-N 2 1 341.499 3.207 20 0 EGADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(C)n1 ZINC000678412053 549485710 /nfs/dbraw/zinc/48/57/10/549485710.db2.gz OOQWHUUMZHNBFR-QGZVFWFLSA-N 2 1 339.483 3.381 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2c(Cl)ccc3cccnc32)CC1 ZINC000679718656 549768505 /nfs/dbraw/zinc/76/85/05/549768505.db2.gz DIKPXVOEIWHWOR-UHFFFAOYSA-N 2 1 346.906 3.005 20 0 EGADMP COC[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000680352258 549854099 /nfs/dbraw/zinc/85/40/99/549854099.db2.gz MUCLSAGUBLXUOX-BURNTYAHSA-N 2 1 328.500 3.302 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000680385522 549860428 /nfs/dbraw/zinc/86/04/28/549860428.db2.gz NWHGTUARTIWTGG-FCHUYYIVSA-N 2 1 338.495 3.090 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000680385522 549860430 /nfs/dbraw/zinc/86/04/30/549860430.db2.gz NWHGTUARTIWTGG-FCHUYYIVSA-N 2 1 338.495 3.090 20 0 EGADMP C[C@@H](Cc1ccsc1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681756041 550033150 /nfs/dbraw/zinc/03/31/50/550033150.db2.gz XEZKPQZNVHQKAK-FXAWDEMLSA-N 2 1 344.524 3.248 20 0 EGADMP C[C@@H](Cc1ccsc1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681756041 550033152 /nfs/dbraw/zinc/03/31/52/550033152.db2.gz XEZKPQZNVHQKAK-FXAWDEMLSA-N 2 1 344.524 3.248 20 0 EGADMP C[C@@H](Cc1ccsc1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681756041 550033154 /nfs/dbraw/zinc/03/31/54/550033154.db2.gz XEZKPQZNVHQKAK-FXAWDEMLSA-N 2 1 344.524 3.248 20 0 EGADMP C[C@@H](Cc1ccsc1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681756041 550033156 /nfs/dbraw/zinc/03/31/56/550033156.db2.gz XEZKPQZNVHQKAK-FXAWDEMLSA-N 2 1 344.524 3.248 20 0 EGADMP Fc1ccc(COC2CC[NH+]([C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000682075058 550069176 /nfs/dbraw/zinc/06/91/76/550069176.db2.gz GBARTHNVTCAEDC-MOPGFXCFSA-N 2 1 332.463 3.434 20 0 EGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CCC(C3CCCCC3)CC2)C1 ZINC000683471702 550232203 /nfs/dbraw/zinc/23/22/03/550232203.db2.gz CRCKUCSHNGVNFL-IOJLRTSASA-N 2 1 349.563 3.303 20 0 EGADMP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000684005976 550282068 /nfs/dbraw/zinc/28/20/68/550282068.db2.gz XTSFHYMISWYYHQ-OAHLLOKOSA-N 2 1 346.519 3.092 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1nccc2ccccc21 ZINC000685455912 550418262 /nfs/dbraw/zinc/41/82/62/550418262.db2.gz AVUVTCZLFNAUMS-LJQANCHMSA-N 2 1 340.515 3.083 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@](C)(O)c2ccccc2)C1 ZINC000733795977 575396610 /nfs/dbraw/zinc/39/66/10/575396610.db2.gz WLPMAKDIGNVROB-SVFBPWRDSA-N 2 1 330.516 3.481 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000733795977 575396612 /nfs/dbraw/zinc/39/66/12/575396612.db2.gz WLPMAKDIGNVROB-SVFBPWRDSA-N 2 1 330.516 3.481 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000733795977 575396616 /nfs/dbraw/zinc/39/66/16/575396616.db2.gz WLPMAKDIGNVROB-SVFBPWRDSA-N 2 1 330.516 3.481 20 0 EGADMP O[C@]1(C[NH2+][C@@H](c2cccs2)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000678689900 576169240 /nfs/dbraw/zinc/16/92/40/576169240.db2.gz OBUAPTQYBSORPK-UXHICEINSA-N 2 1 342.508 3.426 20 0 EGADMP O[C@]1(C[NH2+][C@@H](c2cccs2)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000678689900 576169245 /nfs/dbraw/zinc/16/92/45/576169245.db2.gz OBUAPTQYBSORPK-UXHICEINSA-N 2 1 342.508 3.426 20 0 EGADMP CCCCCC[C@@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000741909911 576733091 /nfs/dbraw/zinc/73/30/91/576733091.db2.gz NDEYJEAGQBTJRO-MRXNPFEDSA-N 2 1 332.492 3.378 20 0 EGADMP Cc1ccc(N2CC[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C2=O)cc1 ZINC000742706994 576793707 /nfs/dbraw/zinc/79/37/07/576793707.db2.gz SFIFJOGLQMUMPS-ZWKOTPCHSA-N 2 1 331.504 3.056 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419880 599364249 /nfs/dbraw/zinc/36/42/49/599364249.db2.gz LCGITXQYQAVCGA-OAHLLOKOSA-N 2 1 342.491 3.172 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419880 599364252 /nfs/dbraw/zinc/36/42/52/599364252.db2.gz LCGITXQYQAVCGA-OAHLLOKOSA-N 2 1 342.491 3.172 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000695193341 1298157769 /nfs/dbraw/zinc/15/77/69/1298157769.db2.gz QWAZOQYJGNQSKU-RDJZCZTQSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)(C)OC(=O)NCCCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000698111828 1298166697 /nfs/dbraw/zinc/16/66/97/1298166697.db2.gz KUCGIPXODUOVBF-SJORKVTESA-N 2 1 339.524 3.288 20 0 EGADMP O=c1oc2ccccc2n1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058193945 1291882706 /nfs/dbraw/zinc/88/27/06/1291882706.db2.gz AKYBNNOEYPMVDO-UHFFFAOYSA-N 2 1 343.471 3.140 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(F)cc2)CC1 ZINC000061070299 1291959271 /nfs/dbraw/zinc/95/92/71/1291959271.db2.gz IHZQSFBVMAXJPE-UHFFFAOYSA-N 2 1 341.474 3.253 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2c(F)cccc2Cl)C[C@H](C)O1 ZINC000062253051 1291984641 /nfs/dbraw/zinc/98/46/41/1291984641.db2.gz LZWXHQGTSGJVRY-OKILXGFUSA-N 2 1 328.859 3.458 20 0 EGADMP CC[NH+](CC)Cc1cccc(NC(=O)CCCn2cc[nH+]c2C)c1 ZINC000065749949 1292090772 /nfs/dbraw/zinc/09/07/72/1292090772.db2.gz FHOOPZASBBHNAU-UHFFFAOYSA-N 2 1 328.460 3.452 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000067223184 1292154035 /nfs/dbraw/zinc/15/40/35/1292154035.db2.gz OHPZSPWCCZEXLI-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000067223184 1292154037 /nfs/dbraw/zinc/15/40/37/1292154037.db2.gz OHPZSPWCCZEXLI-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000067331997 1292158446 /nfs/dbraw/zinc/15/84/46/1292158446.db2.gz GDUQQZIORMANQE-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000067331997 1292158451 /nfs/dbraw/zinc/15/84/51/1292158451.db2.gz GDUQQZIORMANQE-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1ccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000069748079 1292249165 /nfs/dbraw/zinc/24/91/65/1292249165.db2.gz WSGAFUCRFFNIGA-UHFFFAOYSA-N 2 1 341.499 3.276 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000078890005 1292533455 /nfs/dbraw/zinc/53/34/55/1292533455.db2.gz JIJRKHIEOJNTGG-UHFFFAOYSA-N 2 1 326.488 3.141 20 0 EGADMP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc(Cl)c1OC ZINC000105443652 1293037826 /nfs/dbraw/zinc/03/78/26/1293037826.db2.gz FTHFMSDNVYVNRL-LBPRGKRZSA-N 2 1 337.851 3.288 20 0 EGADMP CC(C)COc1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000106469517 1293049741 /nfs/dbraw/zinc/04/97/41/1293049741.db2.gz GXYDKOJWOMEPNY-UHFFFAOYSA-N 2 1 347.547 3.085 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cnc(-c2ccccc2)n1 ZINC000117863510 1293226555 /nfs/dbraw/zinc/22/65/55/1293226555.db2.gz OVYZZTAWMFQBEU-UHFFFAOYSA-N 2 1 349.482 3.486 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cnc(-c2ccccc2)n1 ZINC000117863510 1293226560 /nfs/dbraw/zinc/22/65/60/1293226560.db2.gz OVYZZTAWMFQBEU-UHFFFAOYSA-N 2 1 349.482 3.486 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C(N)=O)cs2)[C@@H]1c1cccs1 ZINC000133042507 1293735369 /nfs/dbraw/zinc/73/53/69/1293735369.db2.gz DKANXGGUMZJXPL-MLGOLLRUSA-N 2 1 349.525 3.081 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C(N)=O)cs2)[C@@H]1c1cccs1 ZINC000133042507 1293735372 /nfs/dbraw/zinc/73/53/72/1293735372.db2.gz DKANXGGUMZJXPL-MLGOLLRUSA-N 2 1 349.525 3.081 20 0 EGADMP Cc1cnc(=S)n(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000133901424 1293756166 /nfs/dbraw/zinc/75/61/66/1293756166.db2.gz SKTQCLJAIISEHX-UHFFFAOYSA-N 2 1 334.533 3.467 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C[C@H](C3CC3)CC2=O)CC1 ZINC000134801923 1293781792 /nfs/dbraw/zinc/78/17/92/1293781792.db2.gz RWKCJTVZLURKLA-FXAWDEMLSA-N 2 1 347.547 3.179 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C[C@H](C3CC3)CC2=O)CC1 ZINC000134801923 1293781794 /nfs/dbraw/zinc/78/17/94/1293781794.db2.gz RWKCJTVZLURKLA-FXAWDEMLSA-N 2 1 347.547 3.179 20 0 EGADMP O=C(CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)NC1CCCCCCC1 ZINC000134919338 1293783657 /nfs/dbraw/zinc/78/36/57/1293783657.db2.gz UVIGTHZCDGJDPI-XLIONFOSSA-N 2 1 347.547 3.164 20 0 EGADMP Cc1nn(C)cc1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000160078145 1294257010 /nfs/dbraw/zinc/25/70/10/1294257010.db2.gz PGSPXEVIEVDVKR-INIZCTEOSA-N 2 1 326.488 3.250 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000164604890 1294350824 /nfs/dbraw/zinc/35/08/24/1294350824.db2.gz KVCBYFVFQGIRMP-DBVUQKKJSA-N 2 1 343.515 3.052 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN([C@@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000174962100 1294534042 /nfs/dbraw/zinc/53/40/42/1294534042.db2.gz IASWOSXRMAXHBF-UYAOXDASSA-N 2 1 343.515 3.154 20 0 EGADMP O[C@H](C[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1)c1ccsc1 ZINC000178977304 1294766225 /nfs/dbraw/zinc/76/62/25/1294766225.db2.gz BGJLANLAJVWFGC-LJQANCHMSA-N 2 1 330.497 3.283 20 0 EGADMP O=C(O[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2ccnc2)cc1 ZINC000181138203 1294941818 /nfs/dbraw/zinc/94/18/18/1294941818.db2.gz DFQBFSLFENAOLC-HXUWFJFHSA-N 2 1 347.418 3.304 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1cnc(-c2ccccc2)n1 ZINC000191277518 1295664788 /nfs/dbraw/zinc/66/47/88/1295664788.db2.gz HSXKVYNHKZYLAV-UHFFFAOYSA-N 2 1 338.459 3.074 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1cnc(-c2ccccc2)n1 ZINC000191277518 1295664804 /nfs/dbraw/zinc/66/48/04/1295664804.db2.gz HSXKVYNHKZYLAV-UHFFFAOYSA-N 2 1 338.459 3.074 20 0 EGADMP CC(C)[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000870956731 1296152811 /nfs/dbraw/zinc/15/28/11/1296152811.db2.gz GGXAQVTZJUWVKO-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1ccc(-c2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)s2)cc1 ZINC000237722190 1296261295 /nfs/dbraw/zinc/26/12/95/1296261295.db2.gz UAFXDZJZBAUMNT-KRWDZBQOSA-N 2 1 330.497 3.270 20 0 EGADMP Cc1nn(C)c2ncc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)cc12 ZINC000237885169 1296270786 /nfs/dbraw/zinc/27/07/86/1296270786.db2.gz ZDABCGDULZTCGA-UHFFFAOYSA-N 2 1 341.503 3.021 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000248164367 1296406636 /nfs/dbraw/zinc/40/66/36/1296406636.db2.gz NIPFBUSOFKGTBW-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP Fc1ccc(Br)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261947420 1296609827 /nfs/dbraw/zinc/60/98/27/1296609827.db2.gz FOYXFXYYLVOEJJ-UHFFFAOYSA-N 2 1 327.241 3.164 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1C[NH3+] ZINC000262508613 1296637157 /nfs/dbraw/zinc/63/71/57/1296637157.db2.gz MTQPOQYPUXUQBW-NEPJUHHUSA-N 2 1 344.286 3.239 20 0 EGADMP CNC(=O)c1cccc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c1 ZINC000872156388 1296775789 /nfs/dbraw/zinc/77/57/89/1296775789.db2.gz IVTOOUAKGARGHV-FXAWDEMLSA-N 2 1 343.515 3.166 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000301962844 1296795259 /nfs/dbraw/zinc/79/52/59/1296795259.db2.gz PJCSGZDOROVGJZ-IXDOHACOSA-N 2 1 339.524 3.144 20 0 EGADMP CC(C)Oc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000305126631 1296982970 /nfs/dbraw/zinc/98/29/70/1296982970.db2.gz INDYYXKHSWBPFT-UXHICEINSA-N 2 1 346.515 3.331 20 0 EGADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000305197364 1296994085 /nfs/dbraw/zinc/99/40/85/1296994085.db2.gz ZNLMCIMYTDQPJN-GJZGRUSLSA-N 2 1 328.909 3.259 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592339 1297018249 /nfs/dbraw/zinc/01/82/49/1297018249.db2.gz NWTXIHNWLOBOJD-QFBILLFUSA-N 2 1 328.435 3.063 20 0 EGADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592339 1297018266 /nfs/dbraw/zinc/01/82/66/1297018266.db2.gz NWTXIHNWLOBOJD-QFBILLFUSA-N 2 1 328.435 3.063 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592339 1297018280 /nfs/dbraw/zinc/01/82/80/1297018280.db2.gz NWTXIHNWLOBOJD-QFBILLFUSA-N 2 1 328.435 3.063 20 0 EGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592339 1297018294 /nfs/dbraw/zinc/01/82/94/1297018294.db2.gz NWTXIHNWLOBOJD-QFBILLFUSA-N 2 1 328.435 3.063 20 0 EGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592339 1297018309 /nfs/dbraw/zinc/01/83/09/1297018309.db2.gz NWTXIHNWLOBOJD-QFBILLFUSA-N 2 1 328.435 3.063 20 0 EGADMP CC[C@@H](O)C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1 ZINC000873207701 1297353352 /nfs/dbraw/zinc/35/33/52/1297353352.db2.gz OHVASDUWNAIQDK-QGZVFWFLSA-N 2 1 330.497 3.167 20 0 EGADMP C[C@H](CC[NH2+]C[C@H](O)c1c(F)cccc1F)[N@H+](C)Cc1ccccc1 ZINC000379630893 1297536581 /nfs/dbraw/zinc/53/65/81/1297536581.db2.gz LKZGDFAIEQQQJS-BEFAXECRSA-N 2 1 348.437 3.498 20 0 EGADMP C[C@H](CC[NH2+]C[C@H](O)c1c(F)cccc1F)[N@@H+](C)Cc1ccccc1 ZINC000379630893 1297536586 /nfs/dbraw/zinc/53/65/86/1297536586.db2.gz LKZGDFAIEQQQJS-BEFAXECRSA-N 2 1 348.437 3.498 20 0 EGADMP C[C@@H]1CCC[C@@](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)([NH+](C)C)C1 ZINC000380207770 1297544475 /nfs/dbraw/zinc/54/44/75/1297544475.db2.gz SRONGKSRWVKLIW-DNVCBOLYSA-N 2 1 341.540 3.390 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000382766371 1297565197 /nfs/dbraw/zinc/56/51/97/1297565197.db2.gz VEOLKAYGQRJSNB-YLJYHZDGSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000382766371 1297565205 /nfs/dbraw/zinc/56/52/05/1297565205.db2.gz VEOLKAYGQRJSNB-YLJYHZDGSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CNC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000385484381 1297582998 /nfs/dbraw/zinc/58/29/98/1297582998.db2.gz BEDIZOMWGXYBGG-YJBOKZPZSA-N 2 1 347.503 3.284 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000385484381 1297583008 /nfs/dbraw/zinc/58/30/08/1297583008.db2.gz BEDIZOMWGXYBGG-YJBOKZPZSA-N 2 1 347.503 3.284 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cn2ccccc2n1 ZINC000398124790 1297713235 /nfs/dbraw/zinc/71/32/35/1297713235.db2.gz HWMUCSCQBSAHSN-FXAWDEMLSA-N 2 1 334.467 3.335 20 0 EGADMP CC1(C)[C@H]([NH2+]C[C@H]([NH3+])CC(F)(F)F)C[C@@H]1OCc1ccccc1 ZINC000717985411 1298305716 /nfs/dbraw/zinc/30/57/16/1298305716.db2.gz CFWDWHKSQVMZHP-KFWWJZLASA-N 2 1 330.394 3.240 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720814066 1298329256 /nfs/dbraw/zinc/32/92/56/1298329256.db2.gz DLQKXGFFFMTJFI-TZMRYXNNSA-N 2 1 328.500 3.444 20 0 EGADMP COc1ccc2c(C[N@H+](C)C3CC[NH+](C(C)C)CC3)cc(=O)oc2c1 ZINC000725799489 1298365165 /nfs/dbraw/zinc/36/51/65/1298365165.db2.gz VJXFEOMRCGQWQB-UHFFFAOYSA-N 2 1 344.455 3.106 20 0 EGADMP COc1ccc2c(C[N@@H+](C)C3CC[NH+](C(C)C)CC3)cc(=O)oc2c1 ZINC000725799489 1298365175 /nfs/dbraw/zinc/36/51/75/1298365175.db2.gz VJXFEOMRCGQWQB-UHFFFAOYSA-N 2 1 344.455 3.106 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000746363543 1298576188 /nfs/dbraw/zinc/57/61/88/1298576188.db2.gz AVXHARDLVOIYQU-HNNXBMFYSA-N 2 1 332.517 3.438 20 0 EGADMP COC(=O)C1CCC([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000747100315 1298725946 /nfs/dbraw/zinc/72/59/46/1298725946.db2.gz VSUOVIFWBASXRU-UHFFFAOYSA-N 2 1 346.515 3.466 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC000876941559 1299077548 /nfs/dbraw/zinc/07/75/48/1299077548.db2.gz NSRRNDFBAGWMKH-HTJOGQSXSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H](CCOCc1ccccc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000877017577 1299114289 /nfs/dbraw/zinc/11/42/89/1299114289.db2.gz HSNBIOYWGNUROP-IBGZPJMESA-N 2 1 346.515 3.216 20 0 EGADMP Cc1cc(N2CCC([NH2+]Cc3cnc4ccccc4c3)CC2)nc(C)[nH+]1 ZINC000749837239 1299283337 /nfs/dbraw/zinc/28/33/37/1299283337.db2.gz VJVXLYRFGZCHLY-UHFFFAOYSA-N 2 1 347.466 3.400 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000751050511 1299505591 /nfs/dbraw/zinc/50/55/91/1299505591.db2.gz OSBYJHYSVMGMSL-SOAGJPPSSA-N 2 1 343.515 3.203 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCc4ccccn4)cc3)CC[C@@H]21 ZINC000877743747 1299522264 /nfs/dbraw/zinc/52/22/64/1299522264.db2.gz MMKZEBSTARHELV-NQIIRXRSSA-N 2 1 337.467 3.187 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCc4ccccn4)cc3)CC[C@@H]21 ZINC000877743747 1299522266 /nfs/dbraw/zinc/52/22/66/1299522266.db2.gz MMKZEBSTARHELV-NQIIRXRSSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(OCc4ccccn4)cc3)CC[C@@H]21 ZINC000877743747 1299522272 /nfs/dbraw/zinc/52/22/72/1299522272.db2.gz MMKZEBSTARHELV-NQIIRXRSSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccn4)cc3)CC[C@@H]21 ZINC000877743747 1299522277 /nfs/dbraw/zinc/52/22/77/1299522277.db2.gz MMKZEBSTARHELV-NQIIRXRSSA-N 2 1 337.467 3.187 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CCCC4CC4)CC3)C2)cc1 ZINC000878605547 1300103090 /nfs/dbraw/zinc/10/30/90/1300103090.db2.gz BJVXJNBAZGUGJZ-OAQYLSRUSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000756117447 1300441745 /nfs/dbraw/zinc/44/17/45/1300441745.db2.gz CSCWZXLOOXTQPA-HOTGVXAUSA-N 2 1 348.491 3.391 20 0 EGADMP Cc1cccc(C(=O)NC2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000879350144 1300496336 /nfs/dbraw/zinc/49/63/36/1300496336.db2.gz WDVZHLNIEVBPDN-FQEVSTJZSA-N 2 1 343.515 3.064 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000765322443 1302245489 /nfs/dbraw/zinc/24/54/89/1302245489.db2.gz FRQZYUGEZWZMSR-YJBOKZPZSA-N 2 1 326.488 3.370 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000765322435 1302246098 /nfs/dbraw/zinc/24/60/98/1302246098.db2.gz FRQZYUGEZWZMSR-MAUKXSAKSA-N 2 1 326.488 3.370 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000765349801 1302251383 /nfs/dbraw/zinc/25/13/83/1302251383.db2.gz NOHQOHFCKDMBKE-RCBQFDQVSA-N 2 1 330.394 3.059 20 0 EGADMP Cc1nc2c(s1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC000765974376 1302360205 /nfs/dbraw/zinc/36/02/05/1302360205.db2.gz GPCNDYJESCLKLS-RDJZCZTQSA-N 2 1 335.517 3.062 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+][C@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000883386626 1302425667 /nfs/dbraw/zinc/42/56/67/1302425667.db2.gz JVEDUQQKCXIMPU-LJQANCHMSA-N 2 1 326.488 3.477 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000767451601 1302681924 /nfs/dbraw/zinc/68/19/24/1302681924.db2.gz YIHKIYSZMLZHHA-MRXNPFEDSA-N 2 1 341.377 3.266 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000767451601 1302681929 /nfs/dbraw/zinc/68/19/29/1302681929.db2.gz YIHKIYSZMLZHHA-MRXNPFEDSA-N 2 1 341.377 3.266 20 0 EGADMP Cc1[nH+]ccn1CCCOC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000767645896 1302730565 /nfs/dbraw/zinc/73/05/65/1302730565.db2.gz ZRLSGKSABIUFME-UHFFFAOYSA-N 2 1 341.455 3.037 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1N(C)C ZINC000769687357 1303158577 /nfs/dbraw/zinc/15/85/77/1303158577.db2.gz FZWBHFXJPGUCAT-SJLPKXTDSA-N 2 1 331.504 3.047 20 0 EGADMP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)CC(C)C ZINC000885921315 1303277102 /nfs/dbraw/zinc/27/71/02/1303277102.db2.gz YXQOLNXRBZMRRZ-QZTJIDSGSA-N 2 1 326.525 3.061 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)NC3CCC(C)CC3)CC2)[nH+]c1C ZINC000886668095 1303547842 /nfs/dbraw/zinc/54/78/42/1303547842.db2.gz NKTPCVSYHNFVAZ-MNQCNDSGSA-N 2 1 346.519 3.289 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000886870385 1303621128 /nfs/dbraw/zinc/62/11/28/1303621128.db2.gz XHBISWHONMDAJJ-GOSISDBHSA-N 2 1 335.879 3.134 20 0 EGADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2cc(C)ncn2)ccc1OC ZINC000775415822 1303961824 /nfs/dbraw/zinc/96/18/24/1303961824.db2.gz OBKSJWCQCKSSNO-INIZCTEOSA-N 2 1 342.487 3.486 20 0 EGADMP CCOc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000775537999 1303980534 /nfs/dbraw/zinc/98/05/34/1303980534.db2.gz JBOFEULVNGJYIT-PKOBYXMFSA-N 2 1 334.504 3.219 20 0 EGADMP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000775536079 1303981079 /nfs/dbraw/zinc/98/10/79/1303981079.db2.gz IYUIKDCGXBCQET-NUEKZKHPSA-N 2 1 330.394 3.064 20 0 EGADMP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000775536079 1303981085 /nfs/dbraw/zinc/98/10/85/1303981085.db2.gz IYUIKDCGXBCQET-NUEKZKHPSA-N 2 1 330.394 3.064 20 0 EGADMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2ccc(O)cc2)CC1 ZINC000782526813 1304986321 /nfs/dbraw/zinc/98/63/21/1304986321.db2.gz DSMKKOWXGIXZEN-UHFFFAOYSA-N 2 1 347.503 3.165 20 0 EGADMP Cc1cc(F)ncc1C[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000891839297 1305183727 /nfs/dbraw/zinc/18/37/27/1305183727.db2.gz BNHWFHQWZQDSIJ-UHFFFAOYSA-N 2 1 342.462 3.063 20 0 EGADMP Cc1cc(F)ncc1C[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000891839297 1305183732 /nfs/dbraw/zinc/18/37/32/1305183732.db2.gz BNHWFHQWZQDSIJ-UHFFFAOYSA-N 2 1 342.462 3.063 20 0 EGADMP COCCOC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000892574817 1305449306 /nfs/dbraw/zinc/44/93/06/1305449306.db2.gz NQTGNZTYAITGRH-ZWKOTPCHSA-N 2 1 334.504 3.060 20 0 EGADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C2CC2)n1 ZINC000892742529 1305534184 /nfs/dbraw/zinc/53/41/84/1305534184.db2.gz ZKRZNGILZNRIJA-SFHVURJKSA-N 2 1 338.499 3.299 20 0 EGADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C2CC2)n1 ZINC000892742529 1305534187 /nfs/dbraw/zinc/53/41/87/1305534187.db2.gz ZKRZNGILZNRIJA-SFHVURJKSA-N 2 1 338.499 3.299 20 0 EGADMP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000894240662 1306298874 /nfs/dbraw/zinc/29/88/74/1306298874.db2.gz CLCIPANESSJISL-HNNXBMFYSA-N 2 1 343.471 3.165 20 0 EGADMP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000894240662 1306298885 /nfs/dbraw/zinc/29/88/85/1306298885.db2.gz CLCIPANESSJISL-HNNXBMFYSA-N 2 1 343.471 3.165 20 0 EGADMP c1cc(OCC2CC2)ccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000790961807 1308897692 /nfs/dbraw/zinc/89/76/92/1308897692.db2.gz NFXDWTYJSABIBE-NRFANRHFSA-N 2 1 344.499 3.208 20 0 EGADMP C[C@@H](OC(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793192801 1309316403 /nfs/dbraw/zinc/31/64/03/1309316403.db2.gz TURWDHVGLYIOJJ-SJLPKXTDSA-N 2 1 349.434 3.402 20 0 EGADMP C[N@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796461122 1310006776 /nfs/dbraw/zinc/00/67/76/1310006776.db2.gz KCPPGFIYFIBSMT-DVJFUJMWSA-N 2 1 326.843 3.070 20 0 EGADMP C[N@@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796461122 1310006786 /nfs/dbraw/zinc/00/67/86/1310006786.db2.gz KCPPGFIYFIBSMT-DVJFUJMWSA-N 2 1 326.843 3.070 20 0 EGADMP C[NH+](C[C@@H](O)c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000796461122 1310006792 /nfs/dbraw/zinc/00/67/92/1310006792.db2.gz KCPPGFIYFIBSMT-DVJFUJMWSA-N 2 1 326.843 3.070 20 0 EGADMP C[NH+](C[C@@H](O)c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000796461122 1310006802 /nfs/dbraw/zinc/00/68/02/1310006802.db2.gz KCPPGFIYFIBSMT-DVJFUJMWSA-N 2 1 326.843 3.070 20 0 EGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817959834 1319477628 /nfs/dbraw/zinc/47/76/28/1319477628.db2.gz VWJUFXYOLARAED-BZUAXINKSA-N 2 1 327.513 3.128 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000798958103 1310463403 /nfs/dbraw/zinc/46/34/03/1310463403.db2.gz MUMGJWIKIMEFAE-UHFFFAOYSA-N 2 1 339.524 3.051 20 0 EGADMP COc1cc(C)c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1OC ZINC000798956669 1310464019 /nfs/dbraw/zinc/46/40/19/1310464019.db2.gz JKRMGDRLVSCTNL-UHFFFAOYSA-N 2 1 332.488 3.320 20 0 EGADMP CC(C)(CNC(=O)OC(C)(C)C)C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897983138 1310539481 /nfs/dbraw/zinc/53/94/81/1310539481.db2.gz ZNBYGAXNRKELIC-UHFFFAOYSA-N 2 1 339.524 3.144 20 0 EGADMP COc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000799717568 1310604671 /nfs/dbraw/zinc/60/46/71/1310604671.db2.gz QIOUBURQDXFLDA-PXNSSMCTSA-N 2 1 344.499 3.306 20 0 EGADMP CC[NH+](CC)CCOc1cccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000898704501 1310828198 /nfs/dbraw/zinc/82/81/98/1310828198.db2.gz VJEYOBVVHYBTGX-RBUKOAKNSA-N 2 1 331.504 3.446 20 0 EGADMP C[NH+](C)Cc1cnc(CN2C[C@H]([NH+](C)C)CCc3ccccc32)s1 ZINC000857899889 1328618945 /nfs/dbraw/zinc/61/89/45/1328618945.db2.gz RRMUSJMWKLEDSA-MRXNPFEDSA-N 2 1 344.528 3.088 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000900466986 1317291524 /nfs/dbraw/zinc/29/15/24/1317291524.db2.gz XXKRKVAGTBTDFR-QPIRBTGLSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001019632516 1317311196 /nfs/dbraw/zinc/31/11/96/1317311196.db2.gz PNNSXTVVQHOJGG-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)CC1 ZINC000957560206 1317457832 /nfs/dbraw/zinc/45/78/32/1317457832.db2.gz UPWORGNQTKZTIH-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)CC1 ZINC000957605469 1317492957 /nfs/dbraw/zinc/49/29/57/1317492957.db2.gz DKGACLDCFDWMIP-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)CC1 ZINC000957621115 1317501687 /nfs/dbraw/zinc/50/16/87/1317501687.db2.gz YZWNDCDDJPNSDO-MOPGFXCFSA-N 2 1 347.547 3.116 20 0 EGADMP CCOCCOCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000929805608 1328705017 /nfs/dbraw/zinc/70/50/17/1328705017.db2.gz DGNDDJPBRXPIKQ-ICSRJNTNSA-N 2 1 334.504 3.024 20 0 EGADMP CCOCCOCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000929805608 1328705021 /nfs/dbraw/zinc/70/50/21/1328705021.db2.gz DGNDDJPBRXPIKQ-ICSRJNTNSA-N 2 1 334.504 3.024 20 0 EGADMP CCOCCOCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000929805608 1328705022 /nfs/dbraw/zinc/70/50/22/1328705022.db2.gz DGNDDJPBRXPIKQ-ICSRJNTNSA-N 2 1 334.504 3.024 20 0 EGADMP CCOCCOCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000929805608 1328705025 /nfs/dbraw/zinc/70/50/25/1328705025.db2.gz DGNDDJPBRXPIKQ-ICSRJNTNSA-N 2 1 334.504 3.024 20 0 EGADMP CCOCCOCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000929805616 1328705760 /nfs/dbraw/zinc/70/57/60/1328705760.db2.gz DGNDDJPBRXPIKQ-UYAOXDASSA-N 2 1 334.504 3.024 20 0 EGADMP CCOCCOCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000929805616 1328705763 /nfs/dbraw/zinc/70/57/63/1328705763.db2.gz DGNDDJPBRXPIKQ-UYAOXDASSA-N 2 1 334.504 3.024 20 0 EGADMP CCOCCOCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000929805616 1328705766 /nfs/dbraw/zinc/70/57/66/1328705766.db2.gz DGNDDJPBRXPIKQ-UYAOXDASSA-N 2 1 334.504 3.024 20 0 EGADMP CCOCCOCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000929805616 1328705769 /nfs/dbraw/zinc/70/57/69/1328705769.db2.gz DGNDDJPBRXPIKQ-UYAOXDASSA-N 2 1 334.504 3.024 20 0 EGADMP CC1(C)C[NH2+]CC[C@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000902384684 1317571286 /nfs/dbraw/zinc/57/12/86/1317571286.db2.gz UUBDBAQJGXSPAI-FHERZECASA-N 2 1 347.469 3.160 20 0 EGADMP CC[N@@H+](CC1CC1)CC1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000957720795 1317588533 /nfs/dbraw/zinc/58/85/33/1317588533.db2.gz XGKYHKOWOKWJMR-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC1CC1)CC1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000957720795 1317588539 /nfs/dbraw/zinc/58/85/39/1317588539.db2.gz XGKYHKOWOKWJMR-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC1CC1)CC1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000957720795 1317588545 /nfs/dbraw/zinc/58/85/45/1317588545.db2.gz XGKYHKOWOKWJMR-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](C)Cc3cc(OC)ccc32)CC1 ZINC000902766472 1317614520 /nfs/dbraw/zinc/61/45/20/1317614520.db2.gz LXVRCGKGZFATLW-QRWLVFNGSA-N 2 1 332.488 3.019 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000957772454 1317635607 /nfs/dbraw/zinc/63/56/07/1317635607.db2.gz CGJLKFZSVXKELT-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[N@@H+](CC1CC1)CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000957773043 1317637013 /nfs/dbraw/zinc/63/70/13/1317637013.db2.gz WCMMNIZGVBHDQM-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1)C(C)C ZINC000957773029 1317637174 /nfs/dbraw/zinc/63/71/74/1317637174.db2.gz WACUNEXARCEEIO-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1)C(C)C ZINC000957778226 1317642559 /nfs/dbraw/zinc/64/25/59/1317642559.db2.gz ZEYKHXTZFJUOMY-UHFFFAOYSA-N 2 1 345.531 3.331 20 0 EGADMP FC(F)(F)c1csc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)n1 ZINC000903104173 1317653955 /nfs/dbraw/zinc/65/39/55/1317653955.db2.gz RJGJXXTWAKQLNZ-VGPLMAKISA-N 2 1 345.434 3.452 20 0 EGADMP C[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000903193063 1317671384 /nfs/dbraw/zinc/67/13/84/1317671384.db2.gz QALOQAMKQAIGLO-AWEZNQCLSA-N 2 1 345.512 3.423 20 0 EGADMP COc1cccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)OC)c1 ZINC000903206215 1317675330 /nfs/dbraw/zinc/67/53/30/1317675330.db2.gz PJWSDPLTPYYVSC-IVZBYUQCSA-N 2 1 330.472 3.130 20 0 EGADMP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000903311476 1317685943 /nfs/dbraw/zinc/68/59/43/1317685943.db2.gz UTUFQXIZNQUJFW-NRFANRHFSA-N 2 1 342.458 3.287 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+](Cc2ccccn2)CC(C)C)cc1 ZINC000903575426 1317707342 /nfs/dbraw/zinc/70/73/42/1317707342.db2.gz OINNUOWAGWXZDO-GOSISDBHSA-N 2 1 327.472 3.291 20 0 EGADMP c1csc(C[C@@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000903565403 1317707682 /nfs/dbraw/zinc/70/76/82/1317707682.db2.gz JLLWLYXFZAZYJG-HNNXBMFYSA-N 2 1 327.497 3.244 20 0 EGADMP Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903725295 1317725777 /nfs/dbraw/zinc/72/57/77/1317725777.db2.gz ASIFAOTYLJAFNR-PWRODBHTSA-N 2 1 328.500 3.018 20 0 EGADMP Fc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1F ZINC000903728760 1317725784 /nfs/dbraw/zinc/72/57/84/1317725784.db2.gz GGBZMHJNGDWQON-YJBOKZPZSA-N 2 1 336.426 3.260 20 0 EGADMP Fc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1F ZINC000903728759 1317726371 /nfs/dbraw/zinc/72/63/71/1317726371.db2.gz GGBZMHJNGDWQON-QAPCUYQASA-N 2 1 336.426 3.260 20 0 EGADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903731770 1317727123 /nfs/dbraw/zinc/72/71/23/1317727123.db2.gz CQUOXDDSDYGXKP-IPMKNSEASA-N 2 1 328.500 3.332 20 0 EGADMP C[C@@H](c1nc2ccccc2s1)[N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733898 1317727538 /nfs/dbraw/zinc/72/75/38/1317727538.db2.gz SDOYEEHOWBKYSM-LSDHHAIUSA-N 2 1 345.512 3.448 20 0 EGADMP C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733898 1317727542 /nfs/dbraw/zinc/72/75/42/1317727542.db2.gz SDOYEEHOWBKYSM-LSDHHAIUSA-N 2 1 345.512 3.448 20 0 EGADMP Fc1ccccc1C[C@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903766820 1317731379 /nfs/dbraw/zinc/73/13/79/1317731379.db2.gz BQOBDXHVMKITKX-RTBURBONSA-N 2 1 346.490 3.381 20 0 EGADMP C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903783926 1317732866 /nfs/dbraw/zinc/73/28/66/1317732866.db2.gz HNISTYICJUZANR-WOJBJXKFSA-N 2 1 346.490 3.381 20 0 EGADMP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)Cc2ccc(C(C)C)cc2)cnn1C ZINC000903873780 1317740750 /nfs/dbraw/zinc/74/07/50/1317740750.db2.gz XLSNPSZFLNSHFF-SFHVURJKSA-N 2 1 328.504 3.101 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903899425 1317745131 /nfs/dbraw/zinc/74/51/31/1317745131.db2.gz UREFKFUNTBFFKG-IUODEOHRSA-N 2 1 331.838 3.001 20 0 EGADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC000903899151 1317745264 /nfs/dbraw/zinc/74/52/64/1317745264.db2.gz SVBSPIYFUICJBS-XLIONFOSSA-N 2 1 339.487 3.157 20 0 EGADMP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903913074 1317747806 /nfs/dbraw/zinc/74/78/06/1317747806.db2.gz LEOOYMZUYYYOQQ-IDCXYZFESA-N 2 1 328.500 3.094 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@H]([NH3+])CC(F)F ZINC000903921109 1317748798 /nfs/dbraw/zinc/74/87/98/1317748798.db2.gz NAUHTVKNFGKBPK-WMLDXEAASA-N 3 1 325.447 3.133 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)c1cccc(Cl)c1 ZINC001020586111 1317790937 /nfs/dbraw/zinc/79/09/37/1317790937.db2.gz FOXZIQOEFMWLOQ-USJZOSNVSA-N 2 1 349.906 3.122 20 0 EGADMP NC(=[NH+]OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000809994859 1317933763 /nfs/dbraw/zinc/93/37/63/1317933763.db2.gz HMGXIYWZNUMVAE-IBGZPJMESA-N 2 1 345.487 3.356 20 0 EGADMP NC(=[NH+]OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000809994859 1317933767 /nfs/dbraw/zinc/93/37/67/1317933767.db2.gz HMGXIYWZNUMVAE-IBGZPJMESA-N 2 1 345.487 3.356 20 0 EGADMP Cc1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(C)C)ccc2c[nH+]cn21 ZINC001021302461 1318178684 /nfs/dbraw/zinc/17/86/84/1318178684.db2.gz JTLYJMLTZAYQMJ-ALOPSCKCSA-N 2 1 340.471 3.024 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001021380438 1318223530 /nfs/dbraw/zinc/22/35/30/1318223530.db2.gz GNHTZICWBXVEMT-VOBGVNJCSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001021380634 1318223640 /nfs/dbraw/zinc/22/36/40/1318223640.db2.gz NWJNVNCQHIDLMB-OOKSDGMUSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001021380634 1318223647 /nfs/dbraw/zinc/22/36/47/1318223647.db2.gz NWJNVNCQHIDLMB-OOKSDGMUSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001021380634 1318223657 /nfs/dbraw/zinc/22/36/57/1318223657.db2.gz NWJNVNCQHIDLMB-OOKSDGMUSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001021399700 1318232761 /nfs/dbraw/zinc/23/27/61/1318232761.db2.gz OVJWCDGULJVLQK-NXEWRWPSSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001021399700 1318232769 /nfs/dbraw/zinc/23/27/69/1318232769.db2.gz OVJWCDGULJVLQK-NXEWRWPSSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001021399700 1318232775 /nfs/dbraw/zinc/23/27/75/1318232775.db2.gz OVJWCDGULJVLQK-NXEWRWPSSA-N 2 1 347.547 3.161 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC000908492906 1318353402 /nfs/dbraw/zinc/35/34/02/1318353402.db2.gz KNDROWRMSNBCAW-INIZCTEOSA-N 2 1 346.519 3.167 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000812456356 1318395410 /nfs/dbraw/zinc/39/54/10/1318395410.db2.gz CNTMPYNLJYBIHQ-KRWDZBQOSA-N 2 1 348.535 3.010 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]2C[NH+](CCC(C)(C)C)CC[C@@H]21)C1CCC1 ZINC001021604083 1318449874 /nfs/dbraw/zinc/44/98/74/1318449874.db2.gz AWUMLHCDIRNACI-MJGOQNOKSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]21)C1CCC1 ZINC001021604083 1318449882 /nfs/dbraw/zinc/44/98/82/1318449882.db2.gz AWUMLHCDIRNACI-MJGOQNOKSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]21)C1CCC1 ZINC001021604083 1318449887 /nfs/dbraw/zinc/44/98/87/1318449887.db2.gz AWUMLHCDIRNACI-MJGOQNOKSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](CC)C[C@H]2C)cc1 ZINC000910280067 1318593261 /nfs/dbraw/zinc/59/32/61/1318593261.db2.gz OXQBVWAFNLMBIE-QGZVFWFLSA-N 2 1 331.504 3.085 20 0 EGADMP Cc1c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)sc2nc(C)nc(C)c12 ZINC000814178653 1318692559 /nfs/dbraw/zinc/69/25/59/1318692559.db2.gz YFMGHIJVBFCMLS-GOSISDBHSA-N 2 1 330.501 3.144 20 0 EGADMP Cc1c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)sc2nc(C)nc(C)c12 ZINC000814178653 1318692564 /nfs/dbraw/zinc/69/25/64/1318692564.db2.gz YFMGHIJVBFCMLS-GOSISDBHSA-N 2 1 330.501 3.144 20 0 EGADMP Cc1c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)sc2nc(C)nc(C)c12 ZINC000814178653 1318692569 /nfs/dbraw/zinc/69/25/69/1318692569.db2.gz YFMGHIJVBFCMLS-GOSISDBHSA-N 2 1 330.501 3.144 20 0 EGADMP Cc1c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)sc2nc(C)nc(C)c12 ZINC000814178653 1318692574 /nfs/dbraw/zinc/69/25/74/1318692574.db2.gz YFMGHIJVBFCMLS-GOSISDBHSA-N 2 1 330.501 3.144 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC001021906884 1318726908 /nfs/dbraw/zinc/72/69/08/1318726908.db2.gz ZZLRKAQZRXEJFE-DUBPFDJUSA-N 2 1 349.563 3.170 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1 ZINC000960639417 1318758419 /nfs/dbraw/zinc/75/84/19/1318758419.db2.gz BOSIFTCGDLTOSG-WMZOPIPTSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC000960639417 1318758429 /nfs/dbraw/zinc/75/84/29/1318758429.db2.gz BOSIFTCGDLTOSG-WMZOPIPTSA-N 2 1 346.519 3.120 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001022071562 1318787999 /nfs/dbraw/zinc/78/79/99/1318787999.db2.gz TYVLJORJSXKZGK-PNYFIKQUSA-N 2 1 343.515 3.166 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001022081419 1318791856 /nfs/dbraw/zinc/79/18/56/1318791856.db2.gz FEVAHRMZGXGKKO-GBESFXJTSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC2(CCC2)C1)[NH+](C)C ZINC000960686920 1318792733 /nfs/dbraw/zinc/79/27/33/1318792733.db2.gz JKDAGFFSQPVSGD-MOPGFXCFSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001022164794 1318825573 /nfs/dbraw/zinc/82/55/73/1318825573.db2.gz PVACDQSJCZYXPP-YRPNKDGESA-N 2 1 343.515 3.249 20 0 EGADMP Clc1ccccc1C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC000815576410 1319018489 /nfs/dbraw/zinc/01/84/89/1319018489.db2.gz PSFHPXDORHSKLF-LNLFQRSKSA-N 2 1 334.891 3.114 20 0 EGADMP Clc1ccccc1C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC000815576410 1319018495 /nfs/dbraw/zinc/01/84/95/1319018495.db2.gz PSFHPXDORHSKLF-LNLFQRSKSA-N 2 1 334.891 3.114 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001022807261 1319118798 /nfs/dbraw/zinc/11/87/98/1319118798.db2.gz GKTGHPHPDFVWIM-IJXRJRJASA-N 2 1 343.515 3.247 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1)CC1CCCCC1 ZINC000961027547 1319148380 /nfs/dbraw/zinc/14/83/80/1319148380.db2.gz NRCRGTBSPYHACY-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000961031130 1319154520 /nfs/dbraw/zinc/15/45/20/1319154520.db2.gz IYMNMGMNYIJLPY-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC000961031130 1319154523 /nfs/dbraw/zinc/15/45/23/1319154523.db2.gz IYMNMGMNYIJLPY-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC000961031130 1319154528 /nfs/dbraw/zinc/15/45/28/1319154528.db2.gz IYMNMGMNYIJLPY-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3CCCCCCC3)CC2)CC1 ZINC000816820290 1319227864 /nfs/dbraw/zinc/22/78/64/1319227864.db2.gz GZIXMMLLGLSBFS-UHFFFAOYSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001023130878 1319275636 /nfs/dbraw/zinc/27/56/36/1319275636.db2.gz KARXYFAHKDIHRL-OTWHNJEPSA-N 2 1 349.563 3.314 20 0 EGADMP CCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961235185 1319369962 /nfs/dbraw/zinc/36/99/62/1319369962.db2.gz VTTAOYIVFLBXDC-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000961235185 1319369965 /nfs/dbraw/zinc/36/99/65/1319369965.db2.gz VTTAOYIVFLBXDC-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000961235185 1319369976 /nfs/dbraw/zinc/36/99/76/1319369976.db2.gz VTTAOYIVFLBXDC-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP COc1ccc([C@H](C)NC[C@@H]2CCC[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000817946175 1319472082 /nfs/dbraw/zinc/47/20/82/1319472082.db2.gz SYYAFYOKUDTPAE-ZWKOTPCHSA-N 2 1 345.531 3.331 20 0 EGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817981226 1319485495 /nfs/dbraw/zinc/48/54/95/1319485495.db2.gz HPPROPNKFMGWSY-KSSFIOAISA-N 2 1 331.460 3.201 20 0 EGADMP Cc1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)sc2nc(C)nc(C)c12 ZINC000915681868 1319519409 /nfs/dbraw/zinc/51/94/09/1319519409.db2.gz GNBOQJUMGWSYDC-CABCVRRESA-N 2 1 330.501 3.333 20 0 EGADMP CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961377794 1319534349 /nfs/dbraw/zinc/53/43/49/1319534349.db2.gz ZYZJPKLBFNKLGI-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000961377794 1319534352 /nfs/dbraw/zinc/53/43/52/1319534352.db2.gz ZYZJPKLBFNKLGI-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000961377794 1319534357 /nfs/dbraw/zinc/53/43/57/1319534357.db2.gz ZYZJPKLBFNKLGI-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961377796 1319535206 /nfs/dbraw/zinc/53/52/06/1319535206.db2.gz ZYZJPKLBFNKLGI-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000961377796 1319535215 /nfs/dbraw/zinc/53/52/15/1319535215.db2.gz ZYZJPKLBFNKLGI-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000961377796 1319535225 /nfs/dbraw/zinc/53/52/25/1319535225.db2.gz ZYZJPKLBFNKLGI-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961378547 1319536932 /nfs/dbraw/zinc/53/69/32/1319536932.db2.gz OGEOBOQICZPEPZ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961378547 1319536935 /nfs/dbraw/zinc/53/69/35/1319536935.db2.gz OGEOBOQICZPEPZ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961378547 1319536939 /nfs/dbraw/zinc/53/69/39/1319536939.db2.gz OGEOBOQICZPEPZ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP O=C(NC[C@H]1CCC[N@@H+](CCCC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001023466392 1319565437 /nfs/dbraw/zinc/56/54/37/1319565437.db2.gz BYXDBIDPGFUDPE-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489898 1319594477 /nfs/dbraw/zinc/59/44/77/1319594477.db2.gz NNQPBZXUZKXWTL-INIZCTEOSA-N 2 1 342.487 3.212 20 0 EGADMP O=C(NC1CC(C[NH2+]CC2CCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000961927812 1319776201 /nfs/dbraw/zinc/77/62/01/1319776201.db2.gz VBEKRIKEMUFQBH-QLOJAFMTSA-N 2 1 347.547 3.068 20 0 EGADMP COc1cccc2[nH]cc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)c21 ZINC000820836066 1319965472 /nfs/dbraw/zinc/96/54/72/1319965472.db2.gz JMCOBRJEDSZPTK-ZNXRZULTSA-N 2 1 339.483 3.466 20 0 EGADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccnc(Cl)c1F ZINC000823729377 1320201516 /nfs/dbraw/zinc/20/15/16/1320201516.db2.gz DYJKRZMEIPESNE-UHFFFAOYSA-N 2 1 337.826 3.104 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(O[C@@H]4CCOC4)cc3)C2)CC1 ZINC000825762208 1320361430 /nfs/dbraw/zinc/36/14/30/1320361430.db2.gz DXUFCIQPELVHPW-HXUWFJFHSA-N 2 1 344.499 3.162 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@H]([NH3+])C2CC2)c1 ZINC000827239489 1320437628 /nfs/dbraw/zinc/43/76/28/1320437628.db2.gz BGESVKRPAYLZJL-KRWDZBQOSA-N 2 1 326.444 3.121 20 0 EGADMP CN(C)c1ncc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c2ccccc21 ZINC000930575817 1328902833 /nfs/dbraw/zinc/90/28/33/1328902833.db2.gz FOKODBZLHZJDPO-OAQYLSRUSA-N 2 1 338.499 3.219 20 0 EGADMP CN(C)c1ncc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c2ccccc21 ZINC000930575817 1328902838 /nfs/dbraw/zinc/90/28/38/1328902838.db2.gz FOKODBZLHZJDPO-OAQYLSRUSA-N 2 1 338.499 3.219 20 0 EGADMP CN(C)c1ncc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c2ccccc21 ZINC000930575817 1328902840 /nfs/dbraw/zinc/90/28/40/1328902840.db2.gz FOKODBZLHZJDPO-OAQYLSRUSA-N 2 1 338.499 3.219 20 0 EGADMP CN(C)c1ncc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c2ccccc21 ZINC000930575817 1328902844 /nfs/dbraw/zinc/90/28/44/1328902844.db2.gz FOKODBZLHZJDPO-OAQYLSRUSA-N 2 1 338.499 3.219 20 0 EGADMP C[C@]1(C[NH2+]Cc2cnc(C3CC3)nc2)CC[N@H+](Cc2ccccc2)C1 ZINC000839074363 1320863019 /nfs/dbraw/zinc/86/30/19/1320863019.db2.gz UTKOESVBYSVAMX-OAQYLSRUSA-N 2 1 336.483 3.356 20 0 EGADMP C[C@]1(C[NH2+]Cc2cnc(C3CC3)nc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000839074363 1320863027 /nfs/dbraw/zinc/86/30/27/1320863027.db2.gz UTKOESVBYSVAMX-OAQYLSRUSA-N 2 1 336.483 3.356 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC(=O)CC ZINC000840882385 1321169785 /nfs/dbraw/zinc/16/97/85/1321169785.db2.gz VCOQIXRWYQSIES-IRXDYDNUSA-N 2 1 346.471 3.117 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC(=O)CC ZINC000840882385 1321169789 /nfs/dbraw/zinc/16/97/89/1321169789.db2.gz VCOQIXRWYQSIES-IRXDYDNUSA-N 2 1 346.471 3.117 20 0 EGADMP C[C@H]1CCC[C@@H]([NH+]2CCC(NCc3ccc(CC[NH3+])cc3)CC2)C1 ZINC000841032444 1321204622 /nfs/dbraw/zinc/20/46/22/1321204622.db2.gz SZRQTDBJQJLJRY-LAUBAEHRSA-N 2 1 329.532 3.321 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(F)c1 ZINC000859214565 1328947978 /nfs/dbraw/zinc/94/79/78/1328947978.db2.gz PKHPLGWZQAQEGX-UHFFFAOYSA-N 2 1 343.446 3.266 20 0 EGADMP Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(F)c1 ZINC000859214565 1328947979 /nfs/dbraw/zinc/94/79/79/1328947979.db2.gz PKHPLGWZQAQEGX-UHFFFAOYSA-N 2 1 343.446 3.266 20 0 EGADMP C[C@H](NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1)c1cccc2ccccc21 ZINC000843354081 1321505078 /nfs/dbraw/zinc/50/50/78/1321505078.db2.gz WAYVSXRJQSAOCN-ZLPCBKJTSA-N 2 1 339.483 3.219 20 0 EGADMP C[N@@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)C1CCC([NH3+])CC1 ZINC000843354744 1321505582 /nfs/dbraw/zinc/50/55/82/1321505582.db2.gz GBFQPLFQOUWDHJ-MQBCKMQZSA-N 2 1 337.533 3.153 20 0 EGADMP C[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CCCC1)C1CCC([NH3+])CC1 ZINC000843355413 1321505643 /nfs/dbraw/zinc/50/56/43/1321505643.db2.gz NPXRNXQNINFFTR-GZNCHQMQSA-N 2 1 343.515 3.236 20 0 EGADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1SC(F)(F)F ZINC000843362893 1321506882 /nfs/dbraw/zinc/50/68/82/1321506882.db2.gz UIBOTWRBGIHHAK-PWSUYJOCSA-N 2 1 334.407 3.476 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1SC(F)(F)F ZINC000843362893 1321506884 /nfs/dbraw/zinc/50/68/84/1321506884.db2.gz UIBOTWRBGIHHAK-PWSUYJOCSA-N 2 1 334.407 3.476 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000849051076 1322058918 /nfs/dbraw/zinc/05/89/18/1322058918.db2.gz VZFWFIKEKQZGNG-ZDUSSCGKSA-N 2 1 344.381 3.396 20 0 EGADMP Cc1ccc(CNC(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000849056939 1322060763 /nfs/dbraw/zinc/06/07/63/1322060763.db2.gz GOZASDXDKXRAHC-GOSISDBHSA-N 2 1 340.471 3.429 20 0 EGADMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849091302 1322074811 /nfs/dbraw/zinc/07/48/11/1322074811.db2.gz UDLCQLPHSLVLLY-AWEZNQCLSA-N 2 1 342.409 3.051 20 0 EGADMP C[N@H+]1CCC[C@H](CCNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)C1 ZINC000849116077 1322083885 /nfs/dbraw/zinc/08/38/85/1322083885.db2.gz JSPVJPZXSYDCRR-GFCCVEGCSA-N 2 1 344.381 3.253 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000850035929 1322186260 /nfs/dbraw/zinc/18/62/60/1322186260.db2.gz GAYRNXNMLLIVKI-LJQANCHMSA-N 2 1 332.488 3.207 20 0 EGADMP C[C@H]1CC[N@H+](CCOc2ccc(NCc3c[nH+]c4n3CCC4)cc2)C1 ZINC000850169353 1322201245 /nfs/dbraw/zinc/20/12/45/1322201245.db2.gz KMRHXEHBWKZZAD-INIZCTEOSA-N 2 1 340.471 3.162 20 0 EGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NCc3c[nH+]c4n3CCC4)cc2)C1 ZINC000850169353 1322201252 /nfs/dbraw/zinc/20/12/52/1322201252.db2.gz KMRHXEHBWKZZAD-INIZCTEOSA-N 2 1 340.471 3.162 20 0 EGADMP COc1cncc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000850227093 1322210527 /nfs/dbraw/zinc/21/05/27/1322210527.db2.gz WRZJBMXKPZKWFU-MJGOQNOKSA-N 2 1 339.483 3.481 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000850557104 1322265592 /nfs/dbraw/zinc/26/55/92/1322265592.db2.gz NACFQOYXNNFQBA-XFBWCDHKSA-N 2 1 331.287 3.347 20 0 EGADMP CN(C)C(=O)c1cccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC000921623539 1322365304 /nfs/dbraw/zinc/36/53/04/1322365304.db2.gz IGVHQPHMBZZXDK-UHFFFAOYSA-N 2 1 343.515 3.133 20 0 EGADMP CS[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000921730545 1322386417 /nfs/dbraw/zinc/38/64/17/1322386417.db2.gz XQLKTUXEVCUHBT-IAGOWNOFSA-N 2 1 326.550 3.285 20 0 EGADMP CS[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000921979537 1322434221 /nfs/dbraw/zinc/43/42/21/1322434221.db2.gz FYVTXIFIMSTXHI-XUVXKRRUSA-N 2 1 348.556 3.407 20 0 EGADMP [NH3+]CC[C@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000923485242 1322760533 /nfs/dbraw/zinc/76/05/33/1322760533.db2.gz RJSGMIXPBAJZPH-HNAYVOBHSA-N 2 1 341.430 3.176 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)c2cc1C(C)C ZINC000923516922 1322767707 /nfs/dbraw/zinc/76/77/07/1322767707.db2.gz YTEMXDVWKOHGQG-DOTOQJQBSA-N 2 1 340.467 3.266 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)c2cc1C(C)C ZINC000923516922 1322767711 /nfs/dbraw/zinc/76/77/11/1322767711.db2.gz YTEMXDVWKOHGQG-DOTOQJQBSA-N 2 1 340.467 3.266 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024024073 1323081856 /nfs/dbraw/zinc/08/18/56/1323081856.db2.gz SLFGCQIYAMZZPH-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000924679575 1323110030 /nfs/dbraw/zinc/11/00/30/1323110030.db2.gz LDDIOLGRHLADKP-MBOZVWFJSA-N 2 1 343.515 3.065 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cnnn1-c1ccccc1 ZINC000924688273 1323113631 /nfs/dbraw/zinc/11/36/31/1323113631.db2.gz SIWBMPOEEPZUHF-ZWKOTPCHSA-N 2 1 341.503 3.430 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCC([NH2+]CC2CCCCCC2)CC1 ZINC000963158235 1323220108 /nfs/dbraw/zinc/22/01/08/1323220108.db2.gz VKBYXZRUWXVYDX-MHJFOBGBSA-N 2 1 349.563 3.410 20 0 EGADMP FC(F)(F)c1cccc([C@@H]2CC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)c1 ZINC000852750022 1323235883 /nfs/dbraw/zinc/23/58/83/1323235883.db2.gz LLRPERUKVGLJLT-ZBFHGGJFSA-N 2 1 340.389 3.016 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024436881 1323395073 /nfs/dbraw/zinc/39/50/73/1323395073.db2.gz JIXNFMAETFKUSO-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001024436881 1323395081 /nfs/dbraw/zinc/39/50/81/1323395081.db2.gz JIXNFMAETFKUSO-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001024436881 1323395085 /nfs/dbraw/zinc/39/50/85/1323395085.db2.gz JIXNFMAETFKUSO-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024436438 1323396336 /nfs/dbraw/zinc/39/63/36/1323396336.db2.gz DCEYSOYWWKEORF-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001024436438 1323396340 /nfs/dbraw/zinc/39/63/40/1323396340.db2.gz DCEYSOYWWKEORF-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001024436438 1323396347 /nfs/dbraw/zinc/39/63/47/1323396347.db2.gz DCEYSOYWWKEORF-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1CCC1CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479770 1323433187 /nfs/dbraw/zinc/43/31/87/1323433187.db2.gz PHDXLJAQGZDTMP-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCCC[NH+]1CCC1CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479770 1323433192 /nfs/dbraw/zinc/43/31/92/1323433192.db2.gz PHDXLJAQGZDTMP-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCCC[NH+]1CCC1CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479770 1323433194 /nfs/dbraw/zinc/43/31/94/1323433194.db2.gz PHDXLJAQGZDTMP-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024623123 1323551741 /nfs/dbraw/zinc/55/17/41/1323551741.db2.gz ATRHMEWPDSOQHE-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024623123 1323551747 /nfs/dbraw/zinc/55/17/47/1323551747.db2.gz ATRHMEWPDSOQHE-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024692585 1323609704 /nfs/dbraw/zinc/60/97/04/1323609704.db2.gz PDIPITZFBGLUAJ-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001024692585 1323609706 /nfs/dbraw/zinc/60/97/06/1323609706.db2.gz PDIPITZFBGLUAJ-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001024692585 1323609710 /nfs/dbraw/zinc/60/97/10/1323609710.db2.gz PDIPITZFBGLUAJ-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@H](F)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711281 1323618231 /nfs/dbraw/zinc/61/82/31/1323618231.db2.gz IPNVLHURFZIHPW-RBUKOAKNSA-N 2 1 349.494 3.081 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711284 1323619533 /nfs/dbraw/zinc/61/95/33/1323619533.db2.gz IPNVLHURFZIHPW-RTBURBONSA-N 2 1 349.494 3.081 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCCC[N@H+]2CCC2CC2)c1 ZINC001024811456 1323713508 /nfs/dbraw/zinc/71/35/08/1323713508.db2.gz UHCSNSQUIJGDCK-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024812195 1323716349 /nfs/dbraw/zinc/71/63/49/1323716349.db2.gz KCHBLGYAJPCIJE-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1=CCCCC1 ZINC001024812195 1323716355 /nfs/dbraw/zinc/71/63/55/1323716355.db2.gz KCHBLGYAJPCIJE-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1=CCCCC1 ZINC001024812195 1323716358 /nfs/dbraw/zinc/71/63/58/1323716358.db2.gz KCHBLGYAJPCIJE-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001024979674 1323811142 /nfs/dbraw/zinc/81/11/42/1323811142.db2.gz VOMDTLYXKWTTQY-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001024978895 1323811466 /nfs/dbraw/zinc/81/14/66/1323811466.db2.gz JCXIBZSCCRZPMG-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001025056430 1323860314 /nfs/dbraw/zinc/86/03/14/1323860314.db2.gz OFMJXPRLNSEHOG-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433963 1329117025 /nfs/dbraw/zinc/11/70/25/1329117025.db2.gz LEGJAVUSOXQEMF-AYOQOUSVSA-N 2 1 337.467 3.050 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433963 1329117029 /nfs/dbraw/zinc/11/70/29/1329117029.db2.gz LEGJAVUSOXQEMF-AYOQOUSVSA-N 2 1 337.467 3.050 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433963 1329117031 /nfs/dbraw/zinc/11/70/31/1329117031.db2.gz LEGJAVUSOXQEMF-AYOQOUSVSA-N 2 1 337.467 3.050 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433963 1329117045 /nfs/dbraw/zinc/11/70/45/1329117045.db2.gz LEGJAVUSOXQEMF-AYOQOUSVSA-N 2 1 337.467 3.050 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433963 1329117049 /nfs/dbraw/zinc/11/70/49/1329117049.db2.gz LEGJAVUSOXQEMF-AYOQOUSVSA-N 2 1 337.467 3.050 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025239182 1324031537 /nfs/dbraw/zinc/03/15/37/1324031537.db2.gz CJOOBCVKUPTEAQ-ROUUACIJSA-N 2 1 335.536 3.116 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240668 1324033873 /nfs/dbraw/zinc/03/38/73/1324033873.db2.gz PZWUUIJXABAYDN-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025240668 1324033880 /nfs/dbraw/zinc/03/38/80/1324033880.db2.gz PZWUUIJXABAYDN-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025240668 1324033886 /nfs/dbraw/zinc/03/38/86/1324033886.db2.gz PZWUUIJXABAYDN-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCCC[C@@H]2[C@H]2CCC[N@H+]2CC2CCC2)CCC1 ZINC001025240854 1324035012 /nfs/dbraw/zinc/03/50/12/1324035012.db2.gz RNMFSEQNITYLBK-RTBURBONSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[N@H+]2CCC2CC2)CCC1 ZINC001025241100 1324036595 /nfs/dbraw/zinc/03/65/95/1324036595.db2.gz UPDZQGNMADLZGA-RBUKOAKNSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025241577 1324036722 /nfs/dbraw/zinc/03/67/22/1324036722.db2.gz YRDJQYLHNFEPPL-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241577 1324036724 /nfs/dbraw/zinc/03/67/24/1324036724.db2.gz YRDJQYLHNFEPPL-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241577 1324036729 /nfs/dbraw/zinc/03/67/29/1324036729.db2.gz YRDJQYLHNFEPPL-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025243743 1324040910 /nfs/dbraw/zinc/04/09/10/1324040910.db2.gz QNXBGPFFKZPPRF-MOPGFXCFSA-N 2 1 347.547 3.118 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+]1CCC(C)C ZINC001025251749 1324056140 /nfs/dbraw/zinc/05/61/40/1324056140.db2.gz KJJDAUJXFXQNFL-MOPGFXCFSA-N 2 1 346.519 3.083 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CCC(C)C ZINC001025251749 1324056144 /nfs/dbraw/zinc/05/61/44/1324056144.db2.gz KJJDAUJXFXQNFL-MOPGFXCFSA-N 2 1 346.519 3.083 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259055 1324069423 /nfs/dbraw/zinc/06/94/23/1324069423.db2.gz NDJDLUBJYGWOTI-ZWKOTPCHSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025273931 1324090999 /nfs/dbraw/zinc/09/09/99/1324090999.db2.gz IKTCLMARPBTUNV-MSOLQXFVSA-N 2 1 346.519 3.262 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025273931 1324091004 /nfs/dbraw/zinc/09/10/04/1324091004.db2.gz IKTCLMARPBTUNV-MSOLQXFVSA-N 2 1 346.519 3.262 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279534 1324101976 /nfs/dbraw/zinc/10/19/76/1324101976.db2.gz DDUZLFDXFOTTQM-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293897 1324121816 /nfs/dbraw/zinc/12/18/16/1324121816.db2.gz GMOORCAAQBBHBI-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1[C@H]1CCC[N@H+]1CC1CCCC1 ZINC001025295673 1324126496 /nfs/dbraw/zinc/12/64/96/1324126496.db2.gz QAJGRPSYOYHGGN-UXHICEINSA-N 2 1 347.547 3.118 20 0 EGADMP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001025469496 1324315728 /nfs/dbraw/zinc/31/57/28/1324315728.db2.gz PZZNVELNBLXLTI-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001025521660 1324366141 /nfs/dbraw/zinc/36/61/41/1324366141.db2.gz DWXWUQGKOGYFFQ-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586080 1324427014 /nfs/dbraw/zinc/42/70/14/1324427014.db2.gz VUGRMILCSFXKNZ-QUCCMNQESA-N 2 1 349.563 3.290 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NC1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001026528369 1324869773 /nfs/dbraw/zinc/86/97/73/1324869773.db2.gz HRXPCBMOBFEWDV-UHFFFAOYSA-N 2 1 346.519 3.179 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001026920645 1325084224 /nfs/dbraw/zinc/08/42/24/1325084224.db2.gz GBQZATRUOJVAMT-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026935005 1325090620 /nfs/dbraw/zinc/09/06/20/1325090620.db2.gz GVWWPCOKXZSYAD-UXHICEINSA-N 2 1 347.547 3.045 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963347067 1325137541 /nfs/dbraw/zinc/13/75/41/1325137541.db2.gz NOUYAGKYSFUBMX-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC001027015063 1325154837 /nfs/dbraw/zinc/15/48/37/1325154837.db2.gz XOUXRVQEHXJZOY-PMACEKPBSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@@H](c1ccccc1)N1CCC([NH2+][C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC1 ZINC000925506092 1325182084 /nfs/dbraw/zinc/18/20/84/1325182084.db2.gz XMGQDKJIHXVWQH-DTXWBZGDSA-N 2 1 327.516 3.331 20 0 EGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)C12CCC2 ZINC000925546025 1325201265 /nfs/dbraw/zinc/20/12/65/1325201265.db2.gz IJVWYNBCKLMYSQ-IRXDYDNUSA-N 2 1 327.403 3.373 20 0 EGADMP c1sc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)nc1C1CCCCC1 ZINC000925573978 1325217310 /nfs/dbraw/zinc/21/73/10/1325217310.db2.gz XQFWFZCNOPINPI-ZZGLYJMHSA-N 2 1 331.529 3.319 20 0 EGADMP CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000963421348 1325230477 /nfs/dbraw/zinc/23/04/77/1325230477.db2.gz QMTNYMJWPAOUQR-FAFZWHIHSA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963426408 1325234087 /nfs/dbraw/zinc/23/40/87/1325234087.db2.gz AHQLDONPQMVHTN-UXHICEINSA-N 2 1 349.563 3.366 20 0 EGADMP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925631698 1325239973 /nfs/dbraw/zinc/23/99/73/1325239973.db2.gz WPLRNXPEPGPXTD-BAGBSZHRSA-N 2 1 339.886 3.202 20 0 EGADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925711865 1325266687 /nfs/dbraw/zinc/26/66/87/1325266687.db2.gz DYHPFPHHAYJJGK-SQNIBIBYSA-N 2 1 330.472 3.277 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]CCc3nc4c(s3)CCC4)CC[NH2+]2)cc1 ZINC000925832533 1325320820 /nfs/dbraw/zinc/32/08/20/1325320820.db2.gz RWRZCTZMYIOLOU-WBVHZDCISA-N 2 1 327.497 3.257 20 0 EGADMP CC(C)CC[NH+]1CCC(Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000926027549 1325393820 /nfs/dbraw/zinc/39/38/20/1325393820.db2.gz ZLSHPCFNRHFZPP-UHFFFAOYSA-N 2 1 345.531 3.441 20 0 EGADMP C[N@@H+](CCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000926557327 1327616587 /nfs/dbraw/zinc/61/65/87/1327616587.db2.gz BIDYNZIDHPTETM-INIZCTEOSA-N 2 1 339.524 3.238 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CCC2CCCC2)C1 ZINC001027433276 1327671192 /nfs/dbraw/zinc/67/11/92/1327671192.db2.gz VXFBVVCIOZIALJ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027433276 1327671201 /nfs/dbraw/zinc/67/12/01/1327671201.db2.gz VXFBVVCIOZIALJ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027433276 1327671211 /nfs/dbraw/zinc/67/12/11/1327671211.db2.gz VXFBVVCIOZIALJ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCCC1)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001027441218 1327681329 /nfs/dbraw/zinc/68/13/29/1327681329.db2.gz BILNJZZRGPZUIM-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]([N@H+](C)CCC2CCCCC2)C1)C1CCC1 ZINC001027441218 1327681342 /nfs/dbraw/zinc/68/13/42/1327681342.db2.gz BILNJZZRGPZUIM-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCCC2)C1)C1CCC1 ZINC001027441218 1327681354 /nfs/dbraw/zinc/68/13/54/1327681354.db2.gz BILNJZZRGPZUIM-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CC1CCC1)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027442337 1327682780 /nfs/dbraw/zinc/68/27/80/1327682780.db2.gz DLXWBYOCUORZHL-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CCC1)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001027442337 1327682788 /nfs/dbraw/zinc/68/27/88/1327682788.db2.gz DLXWBYOCUORZHL-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CCC1)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001027442337 1327682797 /nfs/dbraw/zinc/68/27/97/1327682797.db2.gz DLXWBYOCUORZHL-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1)C1CC1 ZINC001027445085 1327684538 /nfs/dbraw/zinc/68/45/38/1327684538.db2.gz ZMUGKUAVKBIPMQ-WOJBJXKFSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542505 1327844937 /nfs/dbraw/zinc/84/49/37/1327844937.db2.gz MEQSKXLLTUKJMS-RBUKOAKNSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027542505 1327844943 /nfs/dbraw/zinc/84/49/43/1327844943.db2.gz MEQSKXLLTUKJMS-RBUKOAKNSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027542505 1327844949 /nfs/dbraw/zinc/84/49/49/1327844949.db2.gz MEQSKXLLTUKJMS-RBUKOAKNSA-N 2 1 335.536 3.116 20 0 EGADMP C[N@@H+](CCC1CCCCC1)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555069 1327861782 /nfs/dbraw/zinc/86/17/82/1327861782.db2.gz CHCAJWDTPICVQW-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1cccc(OCC[NH+](C)C)c1 ZINC000927113642 1327872440 /nfs/dbraw/zinc/87/24/40/1327872440.db2.gz LSTNJVAMOLHCHI-OAHLLOKOSA-N 2 1 342.487 3.089 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)CC3CCC3)C2)cc1 ZINC001027614974 1327977772 /nfs/dbraw/zinc/97/77/72/1327977772.db2.gz JSRCYLLJNSBENQ-HXUWFJFHSA-N 2 1 343.515 3.085 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)CCC3CC3)C2)cc1 ZINC001027615299 1327978963 /nfs/dbraw/zinc/97/89/63/1327978963.db2.gz SBLRJIPLJNRKND-FQEVSTJZSA-N 2 1 343.515 3.085 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1)c1ccccc1 ZINC001027696160 1328104603 /nfs/dbraw/zinc/10/46/03/1328104603.db2.gz LWYBLRJNAUXMRI-WOJBJXKFSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1)c1ccccc1 ZINC001027696160 1328104606 /nfs/dbraw/zinc/10/46/06/1328104606.db2.gz LWYBLRJNAUXMRI-WOJBJXKFSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001027878715 1328344709 /nfs/dbraw/zinc/34/47/09/1328344709.db2.gz HKTWAGILSKMBQV-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001027878715 1328344715 /nfs/dbraw/zinc/34/47/15/1328344715.db2.gz HKTWAGILSKMBQV-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001027878715 1328344721 /nfs/dbraw/zinc/34/47/21/1328344721.db2.gz HKTWAGILSKMBQV-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001027927778 1328406046 /nfs/dbraw/zinc/40/60/46/1328406046.db2.gz CVCJDRNFRCKDID-PMACEKPBSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC2=CCCCC2)C1 ZINC001027927778 1328406052 /nfs/dbraw/zinc/40/60/52/1328406052.db2.gz CVCJDRNFRCKDID-PMACEKPBSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC2=CCCCC2)C1 ZINC001027927778 1328406062 /nfs/dbraw/zinc/40/60/62/1328406062.db2.gz CVCJDRNFRCKDID-PMACEKPBSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027929849 1328408604 /nfs/dbraw/zinc/40/86/04/1328408604.db2.gz JXEWUBOUCHMETQ-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929849 1328408607 /nfs/dbraw/zinc/40/86/07/1328408607.db2.gz JXEWUBOUCHMETQ-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001027929849 1328408615 /nfs/dbraw/zinc/40/86/15/1328408615.db2.gz JXEWUBOUCHMETQ-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028004259 1328466879 /nfs/dbraw/zinc/46/68/79/1328466879.db2.gz WQRSUNKQQNWFDR-VQIMIIECSA-N 2 1 348.450 3.290 20 0 EGADMP Cc1[nH+]ccn1CCN1CCC[C@@H]1c1cncc(Br)c1 ZINC000932248959 1329799985 /nfs/dbraw/zinc/79/99/85/1329799985.db2.gz AFSQBRIYFWWOSG-OAHLLOKOSA-N 2 1 335.249 3.186 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CO)c1ccccc1C(F)(F)F ZINC000933242219 1329873897 /nfs/dbraw/zinc/87/38/97/1329873897.db2.gz VCIQTZRWPMHUJA-INIZCTEOSA-N 2 1 341.377 3.314 20 0 EGADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)Cc1cccc(=O)[nH]1 ZINC000933401536 1329886645 /nfs/dbraw/zinc/88/66/45/1329886645.db2.gz KGNLHGASZWSIFO-UHFFFAOYSA-N 2 1 325.456 3.405 20 0 EGADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)Cc1cccc(=O)[nH]1 ZINC000933401536 1329886646 /nfs/dbraw/zinc/88/66/46/1329886646.db2.gz KGNLHGASZWSIFO-UHFFFAOYSA-N 2 1 325.456 3.405 20 0 EGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2c[nH]ccc-2n1 ZINC000933814457 1329925529 /nfs/dbraw/zinc/92/55/29/1329925529.db2.gz MQNYRXRXVARVGC-QGZVFWFLSA-N 2 1 348.450 3.157 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000934279117 1329961077 /nfs/dbraw/zinc/96/10/77/1329961077.db2.gz VXWRDAOPAYDINT-MISYRCLQSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000934279117 1329961078 /nfs/dbraw/zinc/96/10/78/1329961078.db2.gz VXWRDAOPAYDINT-MISYRCLQSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000934279117 1329961079 /nfs/dbraw/zinc/96/10/79/1329961079.db2.gz VXWRDAOPAYDINT-MISYRCLQSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccn1 ZINC000866307075 1330093668 /nfs/dbraw/zinc/09/36/68/1330093668.db2.gz QEHRCPFEKDVBJO-AABGKKOBSA-N 2 1 331.504 3.136 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CCCCC1 ZINC000868092406 1330248208 /nfs/dbraw/zinc/24/82/08/1330248208.db2.gz GZISRKCDZIJEKB-WOVMCDHWSA-N 2 1 344.503 3.310 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000940918204 1331254509 /nfs/dbraw/zinc/25/45/09/1331254509.db2.gz NKHFZTNBFLWCNP-IBGZPJMESA-N 2 1 345.531 3.031 20 0 EGADMP C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556099 1331971767 /nfs/dbraw/zinc/97/17/67/1331971767.db2.gz VQHXVJDUPOEBGG-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942558656 1331974261 /nfs/dbraw/zinc/97/42/61/1331974261.db2.gz ZMKGPKUAOXVCNR-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CCC(C)(C)C ZINC000947615728 1333194294 /nfs/dbraw/zinc/19/42/94/1333194294.db2.gz KPBSAJOVWJULNH-SJORKVTESA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC1=CCCCC1 ZINC000947780192 1333259943 /nfs/dbraw/zinc/25/99/43/1333259943.db2.gz XGZUVWRVPZIQCK-XLIONFOSSA-N 2 1 347.547 3.188 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)[C@H](C)C1 ZINC000948044214 1333351803 /nfs/dbraw/zinc/35/18/03/1333351803.db2.gz ODIYKZXGFWKXII-APWZRJJASA-N 2 1 344.503 3.051 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)[C@H](C)C1 ZINC000948044214 1333351804 /nfs/dbraw/zinc/35/18/04/1333351804.db2.gz ODIYKZXGFWKXII-APWZRJJASA-N 2 1 344.503 3.051 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)[C@H](C)C1 ZINC000948044219 1333351840 /nfs/dbraw/zinc/35/18/40/1333351840.db2.gz ODIYKZXGFWKXII-VQIMIIECSA-N 2 1 344.503 3.051 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)[C@H](C)C1 ZINC000948044219 1333351841 /nfs/dbraw/zinc/35/18/41/1333351841.db2.gz ODIYKZXGFWKXII-VQIMIIECSA-N 2 1 344.503 3.051 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)[C@@H](C)C2)o1 ZINC000948079149 1333368682 /nfs/dbraw/zinc/36/86/82/1333368682.db2.gz UMCKOFNEBDCZFH-DOTOQJQBSA-N 2 1 347.503 3.114 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC000948365534 1333496100 /nfs/dbraw/zinc/49/61/00/1333496100.db2.gz QEUBIDGZHBUANC-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948365534 1333496101 /nfs/dbraw/zinc/49/61/01/1333496101.db2.gz QEUBIDGZHBUANC-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948365534 1333496103 /nfs/dbraw/zinc/49/61/03/1333496103.db2.gz QEUBIDGZHBUANC-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC(C)C)CC1 ZINC000948416307 1333516515 /nfs/dbraw/zinc/51/65/15/1333516515.db2.gz CMGOCOWPWXKNSI-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCC(C)C)CC1 ZINC000948416307 1333516519 /nfs/dbraw/zinc/51/65/19/1333516519.db2.gz CMGOCOWPWXKNSI-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCC(C)C)CC1 ZINC000948416307 1333516520 /nfs/dbraw/zinc/51/65/20/1333516520.db2.gz CMGOCOWPWXKNSI-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726700 1333648934 /nfs/dbraw/zinc/64/89/34/1333648934.db2.gz XUOVJEHJMBHRQD-WMZOPIPTSA-N 2 1 349.519 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000948755762 1333663856 /nfs/dbraw/zinc/66/38/56/1333663856.db2.gz KRCTWSNHKBZRAN-HXUWFJFHSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC000948776078 1333674615 /nfs/dbraw/zinc/67/46/15/1333674615.db2.gz YTRUPHFAEXCCHW-ICSRJNTNSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC000948776078 1333674618 /nfs/dbraw/zinc/67/46/18/1333674618.db2.gz YTRUPHFAEXCCHW-ICSRJNTNSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC000948776078 1333674621 /nfs/dbraw/zinc/67/46/21/1333674621.db2.gz YTRUPHFAEXCCHW-ICSRJNTNSA-N 2 1 347.547 3.284 20 0 EGADMP CC[C@H](C)C[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820226 1333697427 /nfs/dbraw/zinc/69/74/27/1333697427.db2.gz CGYGRFVUNDLYDR-ZWKOTPCHSA-N 2 1 348.535 3.366 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820226 1333697428 /nfs/dbraw/zinc/69/74/28/1333697428.db2.gz CGYGRFVUNDLYDR-ZWKOTPCHSA-N 2 1 348.535 3.366 20 0 EGADMP CC(C)[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000948936525 1333740773 /nfs/dbraw/zinc/74/07/73/1333740773.db2.gz SKXSPEGMPQSGNE-HXUWFJFHSA-N 2 1 348.450 3.072 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000949623840 1333884938 /nfs/dbraw/zinc/88/49/38/1333884938.db2.gz OLNUTTSTEHZIQZ-SFHVURJKSA-N 2 1 343.515 3.075 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC000949801528 1333926992 /nfs/dbraw/zinc/92/69/92/1333926992.db2.gz VMCRXSBLJOFNSN-FQEVSTJZSA-N 2 1 349.563 3.223 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+](CCC3=CCCCC3)C2)CC[N@H+]1C ZINC000950367543 1334051654 /nfs/dbraw/zinc/05/16/54/1334051654.db2.gz KOJZWDRPEYBVBQ-VQTJNVASSA-N 2 1 347.547 3.140 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C1C[NH+](CC2CCCCC2)C1 ZINC000950501295 1334082705 /nfs/dbraw/zinc/08/27/05/1334082705.db2.gz XFZMWTNNIVEELN-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000950708056 1334119535 /nfs/dbraw/zinc/11/95/35/1334119535.db2.gz JWEMIZQSQKUJTQ-LJQANCHMSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000951195856 1334204078 /nfs/dbraw/zinc/20/40/78/1334204078.db2.gz NSNQCLKQQXLLEK-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000951195856 1334204085 /nfs/dbraw/zinc/20/40/85/1334204085.db2.gz NSNQCLKQQXLLEK-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CC[N@@H+](CC2CCCCC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000967206248 1335676865 /nfs/dbraw/zinc/67/68/65/1335676865.db2.gz NDORFPNJWVXKED-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CC[N@H+](CCC(C)(C)C)C[C@@H]1NC(=O)c1occc1C[NH+](C)C ZINC000968062189 1335850277 /nfs/dbraw/zinc/85/02/77/1335850277.db2.gz UIHVYFLPAGRGPV-RDJZCZTQSA-N 2 1 349.519 3.218 20 0 EGADMP C[C@H]1CC[N@@H+](CCC(C)(C)C)C[C@@H]1NC(=O)c1occc1C[NH+](C)C ZINC000968062189 1335850279 /nfs/dbraw/zinc/85/02/79/1335850279.db2.gz UIHVYFLPAGRGPV-RDJZCZTQSA-N 2 1 349.519 3.218 20 0 EGADMP CCCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968689040 1336012303 /nfs/dbraw/zinc/01/23/03/1336012303.db2.gz RVKYXCNYLOHFQB-FUHWJXTLSA-N 2 1 349.519 3.362 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000968732696 1336030218 /nfs/dbraw/zinc/03/02/18/1336030218.db2.gz RFMTVHZAXMIMJW-SJLPKXTDSA-N 2 1 344.503 3.088 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCCC1CCC1 ZINC000968920239 1336088983 /nfs/dbraw/zinc/08/89/83/1336088983.db2.gz RWPXELZFEXCKCJ-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCCC1CCC1 ZINC000968920239 1336088988 /nfs/dbraw/zinc/08/89/88/1336088988.db2.gz RWPXELZFEXCKCJ-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCCC1CCC1 ZINC000968920239 1336088990 /nfs/dbraw/zinc/08/89/90/1336088990.db2.gz RWPXELZFEXCKCJ-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000968971038 1336105170 /nfs/dbraw/zinc/10/51/70/1336105170.db2.gz QTXFTGYXYITJRR-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005645 1336116119 /nfs/dbraw/zinc/11/61/19/1336116119.db2.gz ZENKYJDMBVRHPH-AEFFLSMTSA-N 2 1 349.519 3.362 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005645 1336116121 /nfs/dbraw/zinc/11/61/21/1336116121.db2.gz ZENKYJDMBVRHPH-AEFFLSMTSA-N 2 1 349.519 3.362 20 0 EGADMP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000969024669 1336120609 /nfs/dbraw/zinc/12/06/09/1336120609.db2.gz CWLAVPGBGMKGNP-HXUWFJFHSA-N 2 1 345.531 3.175 20 0 EGADMP CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000969024668 1336120914 /nfs/dbraw/zinc/12/09/14/1336120914.db2.gz CWLAVPGBGMKGNP-FQEVSTJZSA-N 2 1 345.531 3.175 20 0 EGADMP Cc1cc(Br)cc(C)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205317688 1370720115 /nfs/dbraw/zinc/72/01/15/1370720115.db2.gz PNDQOCPOIYHVII-BXUZGUMPSA-N 2 1 325.294 3.483 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2=CCCCC2)C1 ZINC000970528727 1336317771 /nfs/dbraw/zinc/31/77/71/1336317771.db2.gz JGKCRAJZCMLAFN-PXNSSMCTSA-N 2 1 347.547 3.186 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001005991514 1336435355 /nfs/dbraw/zinc/43/53/55/1336435355.db2.gz NPFOTZVVTMNISA-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c(Br)ccc(O)c2F)CC[C@@H]1C[NH3+] ZINC001205651268 1370828337 /nfs/dbraw/zinc/82/83/37/1370828337.db2.gz BUJKISNEULTJEO-WDEREUQCSA-N 2 1 345.256 3.101 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001007457489 1336650027 /nfs/dbraw/zinc/65/00/27/1336650027.db2.gz OKHMHRFPFVWKEK-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001007457489 1336650034 /nfs/dbraw/zinc/65/00/34/1336650034.db2.gz OKHMHRFPFVWKEK-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001007457489 1336650035 /nfs/dbraw/zinc/65/00/35/1336650035.db2.gz OKHMHRFPFVWKEK-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001007947431 1336737349 /nfs/dbraw/zinc/73/73/49/1336737349.db2.gz GEZAYAVYLCVHCP-LPHOPBHVSA-N 2 1 348.450 3.290 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCC2CC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001008277661 1336812814 /nfs/dbraw/zinc/81/28/14/1336812814.db2.gz UMCXPIQZUYKUDL-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CCC2CC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001008277661 1336812817 /nfs/dbraw/zinc/81/28/17/1336812817.db2.gz UMCXPIQZUYKUDL-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CCC2CC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001008277661 1336812820 /nfs/dbraw/zinc/81/28/20/1336812820.db2.gz UMCXPIQZUYKUDL-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](CC3=CCCCC3)C2)C1 ZINC001008278748 1336813408 /nfs/dbraw/zinc/81/34/08/1336813408.db2.gz PXTFUINQEAVADT-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@H+](CC3=CCCCC3)C2)C1 ZINC001008278748 1336813409 /nfs/dbraw/zinc/81/34/09/1336813409.db2.gz PXTFUINQEAVADT-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001008278748 1336813410 /nfs/dbraw/zinc/81/34/10/1336813410.db2.gz PXTFUINQEAVADT-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CCCC3CCCC3)C2)CC[N@H+]1C ZINC001008297759 1336817675 /nfs/dbraw/zinc/81/76/75/1336817675.db2.gz FUTBWZUSNVLWDG-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001008297759 1336817678 /nfs/dbraw/zinc/81/76/78/1336817678.db2.gz FUTBWZUSNVLWDG-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001008297759 1336817681 /nfs/dbraw/zinc/81/76/81/1336817681.db2.gz FUTBWZUSNVLWDG-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001009168912 1336980421 /nfs/dbraw/zinc/98/04/21/1336980421.db2.gz NAWWYCWVMQRYBM-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001009168912 1336980423 /nfs/dbraw/zinc/98/04/23/1336980423.db2.gz NAWWYCWVMQRYBM-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC=C(C)C)C1 ZINC001009171652 1336981193 /nfs/dbraw/zinc/98/11/93/1336981193.db2.gz WXMAFAHQRRMJMF-MOPGFXCFSA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC=C(C)C)C1 ZINC001009171652 1336981195 /nfs/dbraw/zinc/98/11/95/1336981195.db2.gz WXMAFAHQRRMJMF-MOPGFXCFSA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001009171652 1336981199 /nfs/dbraw/zinc/98/11/99/1336981199.db2.gz WXMAFAHQRRMJMF-MOPGFXCFSA-N 2 1 335.536 3.188 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001009512089 1337032992 /nfs/dbraw/zinc/03/29/92/1337032992.db2.gz AJFAQWRJQUZWBD-IBGZPJMESA-N 2 1 335.536 3.023 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001014414524 1337770565 /nfs/dbraw/zinc/77/05/65/1337770565.db2.gz OXCSUVOYBKBBIS-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001014414524 1337770567 /nfs/dbraw/zinc/77/05/67/1337770567.db2.gz OXCSUVOYBKBBIS-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001014414524 1337770571 /nfs/dbraw/zinc/77/05/71/1337770571.db2.gz OXCSUVOYBKBBIS-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014413556 1337770853 /nfs/dbraw/zinc/77/08/53/1337770853.db2.gz LWLKNZBHTVNUEV-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001014413556 1337770856 /nfs/dbraw/zinc/77/08/56/1337770856.db2.gz LWLKNZBHTVNUEV-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001014413556 1337770858 /nfs/dbraw/zinc/77/08/58/1337770858.db2.gz LWLKNZBHTVNUEV-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014627389 1337852259 /nfs/dbraw/zinc/85/22/59/1337852259.db2.gz HAWXIUZBPXLAJS-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001014627389 1337852263 /nfs/dbraw/zinc/85/22/63/1337852263.db2.gz HAWXIUZBPXLAJS-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001014627389 1337852267 /nfs/dbraw/zinc/85/22/67/1337852267.db2.gz HAWXIUZBPXLAJS-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CC2CCCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001014728481 1337889089 /nfs/dbraw/zinc/88/90/89/1337889089.db2.gz MSHSLZCYEIGUMT-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CC[NH+](CC2CCCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001014728481 1337889091 /nfs/dbraw/zinc/88/90/91/1337889091.db2.gz MSHSLZCYEIGUMT-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CC[NH+](CC2CCCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001014728481 1337889096 /nfs/dbraw/zinc/88/90/96/1337889096.db2.gz MSHSLZCYEIGUMT-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603311 1338203935 /nfs/dbraw/zinc/20/39/35/1338203935.db2.gz RCOHCAJCNCJTSN-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603311 1338203936 /nfs/dbraw/zinc/20/39/36/1338203936.db2.gz RCOHCAJCNCJTSN-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603311 1338203937 /nfs/dbraw/zinc/20/39/37/1338203937.db2.gz RCOHCAJCNCJTSN-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001015706970 1338270457 /nfs/dbraw/zinc/27/04/57/1338270457.db2.gz YIJMPDABMVCQAQ-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001015706970 1338270460 /nfs/dbraw/zinc/27/04/60/1338270460.db2.gz YIJMPDABMVCQAQ-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001015706970 1338270462 /nfs/dbraw/zinc/27/04/62/1338270462.db2.gz YIJMPDABMVCQAQ-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)cs1 ZINC001015791870 1338312150 /nfs/dbraw/zinc/31/21/50/1338312150.db2.gz OJFVABVSEQFXTA-MSOLQXFVSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)cs1 ZINC001015791870 1338312156 /nfs/dbraw/zinc/31/21/56/1338312156.db2.gz OJFVABVSEQFXTA-MSOLQXFVSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)cs1 ZINC001015791870 1338312159 /nfs/dbraw/zinc/31/21/59/1338312159.db2.gz OJFVABVSEQFXTA-MSOLQXFVSA-N 2 1 349.544 3.010 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001015791685 1338312615 /nfs/dbraw/zinc/31/26/15/1338312615.db2.gz KHZMTDXAGNGLPG-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001015791685 1338312616 /nfs/dbraw/zinc/31/26/16/1338312616.db2.gz KHZMTDXAGNGLPG-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001015791685 1338312619 /nfs/dbraw/zinc/31/26/19/1338312619.db2.gz KHZMTDXAGNGLPG-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795815 1338315606 /nfs/dbraw/zinc/31/56/06/1338315606.db2.gz SRQQLLWHCGRKSO-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001016787483 1338727494 /nfs/dbraw/zinc/72/74/94/1338727494.db2.gz NKEHVOMRFJXWGK-MOPGFXCFSA-N 2 1 347.547 3.164 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001017268442 1338994913 /nfs/dbraw/zinc/99/49/13/1338994913.db2.gz ZVGSAVZRZBQNFC-GPJFCIFZSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001017659585 1339385833 /nfs/dbraw/zinc/38/58/33/1339385833.db2.gz WMBRYZZEUGWWHR-OKYOBFRVSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001017659585 1339385836 /nfs/dbraw/zinc/38/58/36/1339385836.db2.gz WMBRYZZEUGWWHR-OKYOBFRVSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001017659585 1339385837 /nfs/dbraw/zinc/38/58/37/1339385837.db2.gz WMBRYZZEUGWWHR-OKYOBFRVSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001018304489 1339569703 /nfs/dbraw/zinc/56/97/03/1339569703.db2.gz GDOLYRWKWNULKY-BGYRXZFFSA-N 2 1 341.499 3.003 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001018304489 1339569709 /nfs/dbraw/zinc/56/97/09/1339569709.db2.gz GDOLYRWKWNULKY-BGYRXZFFSA-N 2 1 341.499 3.003 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001018310447 1339571439 /nfs/dbraw/zinc/57/14/39/1339571439.db2.gz LVFKECYJURDQRL-LMCOJAPRSA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001018310447 1339571440 /nfs/dbraw/zinc/57/14/40/1339571440.db2.gz LVFKECYJURDQRL-LMCOJAPRSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC2CC(C)(C)C2)C1 ZINC001028089377 1340418602 /nfs/dbraw/zinc/41/86/02/1340418602.db2.gz ZXHFUPUTJFNJAP-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC2CC(C)(C)C2)C1 ZINC001028089377 1340418604 /nfs/dbraw/zinc/41/86/04/1340418604.db2.gz ZXHFUPUTJFNJAP-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC2CC(C)(C)C2)C1 ZINC001028089377 1340418607 /nfs/dbraw/zinc/41/86/07/1340418607.db2.gz ZXHFUPUTJFNJAP-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137311 1340449811 /nfs/dbraw/zinc/44/98/11/1340449811.db2.gz ISADMYKYJYWUJJ-YLJYHZDGSA-N 2 1 345.531 3.031 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CC1 ZINC001028252650 1340513108 /nfs/dbraw/zinc/51/31/08/1340513108.db2.gz ZZJXUULGZNKFOE-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CC1 ZINC001028252650 1340513111 /nfs/dbraw/zinc/51/31/11/1340513111.db2.gz ZZJXUULGZNKFOE-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CC1 ZINC001028252650 1340513114 /nfs/dbraw/zinc/51/31/14/1340513114.db2.gz ZZJXUULGZNKFOE-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001028579864 1340712529 /nfs/dbraw/zinc/71/25/29/1340712529.db2.gz KEOLUKZHECKYLN-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001028579864 1340712531 /nfs/dbraw/zinc/71/25/31/1340712531.db2.gz KEOLUKZHECKYLN-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001028579864 1340712533 /nfs/dbraw/zinc/71/25/33/1340712533.db2.gz KEOLUKZHECKYLN-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028754801 1340790847 /nfs/dbraw/zinc/79/08/47/1340790847.db2.gz AIDYETYRBFQDEM-QUCCMNQESA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028754801 1340790851 /nfs/dbraw/zinc/79/08/51/1340790851.db2.gz AIDYETYRBFQDEM-QUCCMNQESA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028754801 1340790855 /nfs/dbraw/zinc/79/08/55/1340790855.db2.gz AIDYETYRBFQDEM-QUCCMNQESA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001028755564 1340791149 /nfs/dbraw/zinc/79/11/49/1340791149.db2.gz RZWDPELUZFCIGJ-UXHICEINSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@H+](CCC3CCCC3)C2)C1 ZINC001028755564 1340791150 /nfs/dbraw/zinc/79/11/50/1340791150.db2.gz RZWDPELUZFCIGJ-UXHICEINSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001028755564 1340791154 /nfs/dbraw/zinc/79/11/54/1340791154.db2.gz RZWDPELUZFCIGJ-UXHICEINSA-N 2 1 349.563 3.127 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001029003223 1340905435 /nfs/dbraw/zinc/90/54/35/1340905435.db2.gz JFHURPIZKYSXHN-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001029003223 1340905436 /nfs/dbraw/zinc/90/54/36/1340905436.db2.gz JFHURPIZKYSXHN-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001029003223 1340905437 /nfs/dbraw/zinc/90/54/37/1340905437.db2.gz JFHURPIZKYSXHN-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC([C@@H](C)[NH2+]C(C)C)CC1 ZINC001029100714 1340930011 /nfs/dbraw/zinc/93/00/11/1340930011.db2.gz CYZWNDUILIUGOE-HZPDHXFCSA-N 2 1 334.508 3.022 20 0 EGADMP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001029108771 1340931908 /nfs/dbraw/zinc/93/19/08/1340931908.db2.gz PWGCACWQIGSXEM-QGZVFWFLSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([C@H](C)[NH2+]CC3CCC3)CC2)C1 ZINC001029133605 1340939278 /nfs/dbraw/zinc/93/92/78/1340939278.db2.gz VNUOLRFATGPKEM-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH2+][C@H](C)C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001029154944 1340944820 /nfs/dbraw/zinc/94/48/20/1340944820.db2.gz UCSAQXGJFWIQCF-MRXNPFEDSA-N 2 1 334.508 3.022 20 0 EGADMP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001029165879 1340946603 /nfs/dbraw/zinc/94/66/03/1340946603.db2.gz RHXGFVMWTMXRKG-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001029550740 1341010833 /nfs/dbraw/zinc/01/08/33/1341010833.db2.gz WOZPNJOWGSCIFC-ZCNNSNEGSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001029550740 1341010834 /nfs/dbraw/zinc/01/08/34/1341010834.db2.gz WOZPNJOWGSCIFC-ZCNNSNEGSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001029550740 1341010835 /nfs/dbraw/zinc/01/08/35/1341010835.db2.gz WOZPNJOWGSCIFC-ZCNNSNEGSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](CC)c1ccccc1)[NH+](C)C ZINC001029555644 1341011606 /nfs/dbraw/zinc/01/16/06/1341011606.db2.gz DOAGMWSWCDDXRC-ZGXWSNOMSA-N 2 1 343.515 3.153 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001029599091 1341019118 /nfs/dbraw/zinc/01/91/18/1341019118.db2.gz UJIVFSVGCXIXBJ-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001029599091 1341019119 /nfs/dbraw/zinc/01/91/19/1341019119.db2.gz UJIVFSVGCXIXBJ-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001029599091 1341019120 /nfs/dbraw/zinc/01/91/20/1341019120.db2.gz UJIVFSVGCXIXBJ-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029751557 1341063897 /nfs/dbraw/zinc/06/38/97/1341063897.db2.gz XHNKJJFEGLFNEU-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001029751557 1341063898 /nfs/dbraw/zinc/06/38/98/1341063898.db2.gz XHNKJJFEGLFNEU-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001029751557 1341063899 /nfs/dbraw/zinc/06/38/99/1341063899.db2.gz XHNKJJFEGLFNEU-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001029758845 1341064781 /nfs/dbraw/zinc/06/47/81/1341064781.db2.gz GRGANAUYWUFZOS-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001029758845 1341064782 /nfs/dbraw/zinc/06/47/82/1341064782.db2.gz GRGANAUYWUFZOS-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001029758845 1341064783 /nfs/dbraw/zinc/06/47/83/1341064783.db2.gz GRGANAUYWUFZOS-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP C[N@@H+](C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1)CC1CCCCCC1 ZINC001029767949 1341067337 /nfs/dbraw/zinc/06/73/37/1341067337.db2.gz AZHAJBYMYJCPLQ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1)CC1CCCCCC1 ZINC001029767949 1341067338 /nfs/dbraw/zinc/06/73/38/1341067338.db2.gz AZHAJBYMYJCPLQ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1)CC1CCCCCC1 ZINC001029767949 1341067339 /nfs/dbraw/zinc/06/73/39/1341067339.db2.gz AZHAJBYMYJCPLQ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCCC2)C1)[NH+](C)C ZINC001029844081 1341092967 /nfs/dbraw/zinc/09/29/67/1341092967.db2.gz VVFNBEQFYUZIGR-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](CC1CCCC1)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001029970608 1341139081 /nfs/dbraw/zinc/13/90/81/1341139081.db2.gz JOCRKFLOGFMZIK-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCC1)CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001029970608 1341139082 /nfs/dbraw/zinc/13/90/82/1341139082.db2.gz JOCRKFLOGFMZIK-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCC1)CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001029970608 1341139083 /nfs/dbraw/zinc/13/90/83/1341139083.db2.gz JOCRKFLOGFMZIK-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)N1CCC(C[N@@H+](C)CC2CCCCC2)CC1)[NH+](C)C ZINC001029972626 1341139528 /nfs/dbraw/zinc/13/95/28/1341139528.db2.gz KZBHBHAXVWAVIF-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC2CCCCCC2)C1 ZINC001031050658 1341270089 /nfs/dbraw/zinc/27/00/89/1341270089.db2.gz SIYZWFGKZWOWPY-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001032684330 1341581568 /nfs/dbraw/zinc/58/15/68/1341581568.db2.gz LNGGOESNDAQTEN-PMACEKPBSA-N 2 1 343.515 3.083 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C[NH+](C)C ZINC001032800637 1341618436 /nfs/dbraw/zinc/61/84/36/1341618436.db2.gz QZACPHNQBUSYAD-OALUTQOASA-N 2 1 343.515 3.083 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)CC[N@H+]1C ZINC001033091549 1341719821 /nfs/dbraw/zinc/71/98/21/1341719821.db2.gz KUYGFLGSPKCSPM-NZSAHSFTSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC3CCC(C)(C)CC3)C2)CC[NH+]1C ZINC001033091549 1341719825 /nfs/dbraw/zinc/71/98/25/1341719825.db2.gz KUYGFLGSPKCSPM-NZSAHSFTSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)CC[NH+]1C ZINC001033091549 1341719831 /nfs/dbraw/zinc/71/98/31/1341719831.db2.gz KUYGFLGSPKCSPM-NZSAHSFTSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033124230 1341732439 /nfs/dbraw/zinc/73/24/39/1341732439.db2.gz WMGFIUJPVDFBTD-INIZCTEOSA-N 2 1 337.533 3.002 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033124230 1341732441 /nfs/dbraw/zinc/73/24/41/1341732441.db2.gz WMGFIUJPVDFBTD-INIZCTEOSA-N 2 1 337.533 3.002 20 0 EGADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001033198727 1341750716 /nfs/dbraw/zinc/75/07/16/1341750716.db2.gz MZFHSWRIHQJCLQ-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033198727 1341750717 /nfs/dbraw/zinc/75/07/17/1341750717.db2.gz MZFHSWRIHQJCLQ-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033198727 1341750718 /nfs/dbraw/zinc/75/07/18/1341750718.db2.gz MZFHSWRIHQJCLQ-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CCC(C[N@H+]2CC[C@H](N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001033318685 1341780053 /nfs/dbraw/zinc/78/00/53/1341780053.db2.gz LECXITXQXGIJQL-ACBHZAAOSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)[C@H]1CCCC[NH+]1C1CCCC1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033359686 1341796024 /nfs/dbraw/zinc/79/60/24/1341796024.db2.gz AOSLWYQZKADVME-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001033359686 1341796025 /nfs/dbraw/zinc/79/60/25/1341796025.db2.gz AOSLWYQZKADVME-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001033359686 1341796026 /nfs/dbraw/zinc/79/60/26/1341796026.db2.gz AOSLWYQZKADVME-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033374198 1341801443 /nfs/dbraw/zinc/80/14/43/1341801443.db2.gz XPIDWUKRWRJPJO-SFHVURJKSA-N 2 1 347.503 3.068 20 0 EGADMP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033374198 1341801447 /nfs/dbraw/zinc/80/14/47/1341801447.db2.gz XPIDWUKRWRJPJO-SFHVURJKSA-N 2 1 347.503 3.068 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033466917 1341837598 /nfs/dbraw/zinc/83/75/98/1341837598.db2.gz JBGZEJOJZWPQEV-HKUYNNGSSA-N 2 1 337.552 3.220 20 0 EGADMP CN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033567873 1341876331 /nfs/dbraw/zinc/87/63/31/1341876331.db2.gz BAARMKOKFRHANK-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033941819 1342103283 /nfs/dbraw/zinc/10/32/83/1342103283.db2.gz SGLUJYNJEKJYJZ-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034205398 1342316556 /nfs/dbraw/zinc/31/65/56/1342316556.db2.gz WJSDSCYBPMHVNM-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2=CCCCC2)C1 ZINC001034205398 1342316561 /nfs/dbraw/zinc/31/65/61/1342316561.db2.gz WJSDSCYBPMHVNM-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2=CCCCC2)C1 ZINC001034205398 1342316564 /nfs/dbraw/zinc/31/65/64/1342316564.db2.gz WJSDSCYBPMHVNM-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCCCCC3)C2)CC[N@H+]1C ZINC001034215362 1342322635 /nfs/dbraw/zinc/32/26/35/1342322635.db2.gz YIPLBIRCUYFWIG-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001034215362 1342322636 /nfs/dbraw/zinc/32/26/36/1342322636.db2.gz YIPLBIRCUYFWIG-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001034215362 1342322637 /nfs/dbraw/zinc/32/26/37/1342322637.db2.gz YIPLBIRCUYFWIG-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034250511 1342347799 /nfs/dbraw/zinc/34/77/99/1342347799.db2.gz RGNNYAQYGHLGMC-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034250511 1342347801 /nfs/dbraw/zinc/34/78/01/1342347801.db2.gz RGNNYAQYGHLGMC-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034250511 1342347806 /nfs/dbraw/zinc/34/78/06/1342347806.db2.gz RGNNYAQYGHLGMC-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034251285 1342347834 /nfs/dbraw/zinc/34/78/34/1342347834.db2.gz YFSHHTFDNPKBFQ-MSOLQXFVSA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034251285 1342347837 /nfs/dbraw/zinc/34/78/37/1342347837.db2.gz YFSHHTFDNPKBFQ-MSOLQXFVSA-N 2 1 346.519 3.167 20 0 EGADMP O=C(N[C@H]1CCCC[N@@H+](CC2CCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001034309994 1342392827 /nfs/dbraw/zinc/39/28/27/1342392827.db2.gz RGZAAYIKXHQHJU-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034359946 1342431604 /nfs/dbraw/zinc/43/16/04/1342431604.db2.gz DJJNPGFMQUTEPL-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034359946 1342431606 /nfs/dbraw/zinc/43/16/06/1342431606.db2.gz DJJNPGFMQUTEPL-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034359946 1342431609 /nfs/dbraw/zinc/43/16/09/1342431609.db2.gz DJJNPGFMQUTEPL-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034364596 1342434963 /nfs/dbraw/zinc/43/49/63/1342434963.db2.gz LJZHGHDDDPWQNG-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034364596 1342434965 /nfs/dbraw/zinc/43/49/65/1342434965.db2.gz LJZHGHDDDPWQNG-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CCCC[N@@H+](CCC2CC2)C1)[NH+]1CCCCCC1 ZINC001034438405 1342500004 /nfs/dbraw/zinc/50/00/04/1342500004.db2.gz NKPHLECQPUFJBD-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034440023 1342501221 /nfs/dbraw/zinc/50/12/21/1342501221.db2.gz YIQYHGDKRVESOM-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034440023 1342501223 /nfs/dbraw/zinc/50/12/23/1342501223.db2.gz YIQYHGDKRVESOM-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034440023 1342501226 /nfs/dbraw/zinc/50/12/26/1342501226.db2.gz YIQYHGDKRVESOM-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034476244 1342531716 /nfs/dbraw/zinc/53/17/16/1342531716.db2.gz BVVFTAUGAAYCET-FQEVSTJZSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCCC[N@@H+](C/C=C/Cl)C2)c1 ZINC001034538688 1342596281 /nfs/dbraw/zinc/59/62/81/1342596281.db2.gz VILYILSUWAJJOO-OPUMOTSWSA-N 2 1 349.906 3.085 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034543326 1342604129 /nfs/dbraw/zinc/60/41/29/1342604129.db2.gz ZXINEWCOFZPXNF-IEBWSBKVSA-N 2 1 345.531 3.379 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCC3=CCCCC3)CC2)CC[N@H+]1C ZINC001034648021 1342669260 /nfs/dbraw/zinc/66/92/60/1342669260.db2.gz UTKPEFSTVHTFSF-VBSBHUPXSA-N 2 1 347.547 3.234 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001034658285 1342675170 /nfs/dbraw/zinc/67/51/70/1342675170.db2.gz DPKDFBGVCGNKAV-UFYCRDLUSA-N 2 1 349.563 3.458 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC001034810312 1342775715 /nfs/dbraw/zinc/77/57/15/1342775715.db2.gz DSEUCZNSLYGWPU-FQEVSTJZSA-N 2 1 343.515 3.067 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC2CCC2)cc1 ZINC001034816526 1342780373 /nfs/dbraw/zinc/78/03/73/1342780373.db2.gz QTKQCXHVHALNHX-FQEVSTJZSA-N 2 1 343.515 3.065 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001034954693 1342852163 /nfs/dbraw/zinc/85/21/63/1342852163.db2.gz UASOAGADZRTNQX-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1)C1CCC1 ZINC001034957959 1342852274 /nfs/dbraw/zinc/85/22/74/1342852274.db2.gz QZGZGTGGGWIOSK-LJQANCHMSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC001035014160 1342876545 /nfs/dbraw/zinc/87/65/45/1342876545.db2.gz RBCKCQCXFOKHRB-BMGDILEWSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001035051201 1342899528 /nfs/dbraw/zinc/89/95/28/1342899528.db2.gz LCSVEUPBTODCPM-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035184615 1342999522 /nfs/dbraw/zinc/99/95/22/1342999522.db2.gz FQFNUADDGXIFIQ-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035184615 1342999526 /nfs/dbraw/zinc/99/95/26/1342999526.db2.gz FQFNUADDGXIFIQ-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035184615 1342999529 /nfs/dbraw/zinc/99/95/29/1342999529.db2.gz FQFNUADDGXIFIQ-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035196151 1343009442 /nfs/dbraw/zinc/00/94/42/1343009442.db2.gz VJPSDVMHYPQIIP-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001035196151 1343009448 /nfs/dbraw/zinc/00/94/48/1343009448.db2.gz VJPSDVMHYPQIIP-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001035196151 1343009450 /nfs/dbraw/zinc/00/94/50/1343009450.db2.gz VJPSDVMHYPQIIP-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233677 1343055473 /nfs/dbraw/zinc/05/54/73/1343055473.db2.gz JSTXJLOKBNSQQR-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035233677 1343055476 /nfs/dbraw/zinc/05/54/76/1343055476.db2.gz JSTXJLOKBNSQQR-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035233677 1343055478 /nfs/dbraw/zinc/05/54/78/1343055478.db2.gz JSTXJLOKBNSQQR-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC001035256561 1343082833 /nfs/dbraw/zinc/08/28/33/1343082833.db2.gz ISOABRLQBGKMLX-RTBURBONSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035721137 1343151759 /nfs/dbraw/zinc/15/17/59/1343151759.db2.gz QLTFEYFEHPCPPE-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820706 1343759058 /nfs/dbraw/zinc/75/90/58/1343759058.db2.gz NEXUYEYATCFJSN-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820706 1343759062 /nfs/dbraw/zinc/75/90/62/1343759062.db2.gz NEXUYEYATCFJSN-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820706 1343759066 /nfs/dbraw/zinc/75/90/66/1343759066.db2.gz NEXUYEYATCFJSN-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCC(C)(C)C)C2)CC1 ZINC001036836872 1343776007 /nfs/dbraw/zinc/77/60/07/1343776007.db2.gz YVJAMSARZQXRCJ-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CC1=CCCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038354560 1344395828 /nfs/dbraw/zinc/39/58/28/1344395828.db2.gz UMLWEMCICTUOSQ-WOJBJXKFSA-N 2 1 345.531 3.084 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CC1=CCCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038354560 1344395831 /nfs/dbraw/zinc/39/58/31/1344395831.db2.gz UMLWEMCICTUOSQ-WOJBJXKFSA-N 2 1 345.531 3.084 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CC1=CCCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038354560 1344395837 /nfs/dbraw/zinc/39/58/37/1344395837.db2.gz UMLWEMCICTUOSQ-WOJBJXKFSA-N 2 1 345.531 3.084 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038520045 1344464460 /nfs/dbraw/zinc/46/44/60/1344464460.db2.gz MAQZXJHBDQLXLP-QFBILLFUSA-N 2 1 348.450 3.208 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CC2(CCC2)C1 ZINC001038783377 1344582895 /nfs/dbraw/zinc/58/28/95/1344582895.db2.gz WVVQSQOJKWXILI-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001038783377 1344582899 /nfs/dbraw/zinc/58/28/99/1344582899.db2.gz WVVQSQOJKWXILI-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001038783377 1344582901 /nfs/dbraw/zinc/58/29/01/1344582901.db2.gz WVVQSQOJKWXILI-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC(CC)CC ZINC001038907819 1344646411 /nfs/dbraw/zinc/64/64/11/1344646411.db2.gz DQNKBOYYRZUMIH-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC(CC)CC ZINC001038907819 1344646413 /nfs/dbraw/zinc/64/64/13/1344646413.db2.gz DQNKBOYYRZUMIH-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC(CC)CC ZINC001038907819 1344646416 /nfs/dbraw/zinc/64/64/16/1344646416.db2.gz DQNKBOYYRZUMIH-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039133340 1344811912 /nfs/dbraw/zinc/81/19/12/1344811912.db2.gz GUIZTQZFRIGGRW-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001039133340 1344811915 /nfs/dbraw/zinc/81/19/15/1344811915.db2.gz GUIZTQZFRIGGRW-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001039133340 1344811919 /nfs/dbraw/zinc/81/19/19/1344811919.db2.gz GUIZTQZFRIGGRW-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039150593 1344834031 /nfs/dbraw/zinc/83/40/31/1344834031.db2.gz ACHGWSIXFIPLNS-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC001039150593 1344834035 /nfs/dbraw/zinc/83/40/35/1344834035.db2.gz ACHGWSIXFIPLNS-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC001039150593 1344834040 /nfs/dbraw/zinc/83/40/40/1344834040.db2.gz ACHGWSIXFIPLNS-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182114 1344879052 /nfs/dbraw/zinc/87/90/52/1344879052.db2.gz JFBNMSPTOHEMJP-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001039235617 1344957382 /nfs/dbraw/zinc/95/73/82/1344957382.db2.gz QQJGTJRFLZDXEX-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001039235617 1344957384 /nfs/dbraw/zinc/95/73/84/1344957384.db2.gz QQJGTJRFLZDXEX-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001039283496 1344995924 /nfs/dbraw/zinc/99/59/24/1344995924.db2.gz XXRSLLUECGHZLP-CSNJMZFVSA-N 2 1 346.519 3.308 20 0 EGADMP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001039301685 1345004244 /nfs/dbraw/zinc/00/42/44/1345004244.db2.gz MHBINWVJKXVOGJ-NXEWRWPSSA-N 2 1 349.563 3.407 20 0 EGADMP C[N@@H+](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1=CCCCC1)C1CCC1 ZINC001039644821 1345153136 /nfs/dbraw/zinc/15/31/36/1345153136.db2.gz XRIZRDSFDAZHPL-BGYRXZFFSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+](CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1=CCCCC1)C1CCC1 ZINC001039644821 1345153139 /nfs/dbraw/zinc/15/31/39/1345153139.db2.gz XRIZRDSFDAZHPL-BGYRXZFFSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+](CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1=CCCCC1)C1CCC1 ZINC001039644821 1345153144 /nfs/dbraw/zinc/15/31/44/1345153144.db2.gz XRIZRDSFDAZHPL-BGYRXZFFSA-N 2 1 345.531 3.036 20 0 EGADMP CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001039681836 1345157533 /nfs/dbraw/zinc/15/75/33/1345157533.db2.gz UUTCSSNUQJANJG-HSALFYBXSA-N 2 1 347.547 3.282 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001039914575 1345245408 /nfs/dbraw/zinc/24/54/08/1345245408.db2.gz UMHKQBNEAOCWBM-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001039914575 1345245410 /nfs/dbraw/zinc/24/54/10/1345245410.db2.gz UMHKQBNEAOCWBM-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001039914575 1345245412 /nfs/dbraw/zinc/24/54/12/1345245412.db2.gz UMHKQBNEAOCWBM-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199967 1345372990 /nfs/dbraw/zinc/37/29/90/1345372990.db2.gz DHLHVZAQAVWHPP-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040199967 1345372992 /nfs/dbraw/zinc/37/29/92/1345372992.db2.gz DHLHVZAQAVWHPP-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040199967 1345372994 /nfs/dbraw/zinc/37/29/94/1345372994.db2.gz DHLHVZAQAVWHPP-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC(C)(C)C)C2)C1CC1 ZINC001040239908 1345389893 /nfs/dbraw/zinc/38/98/93/1345389893.db2.gz ASAICOQHRUPEBY-NQIIRXRSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040240794 1345390675 /nfs/dbraw/zinc/39/06/75/1345390675.db2.gz JNKSMLWPHDJDIS-PZJWPPBQSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001040240794 1345390678 /nfs/dbraw/zinc/39/06/78/1345390678.db2.gz JNKSMLWPHDJDIS-PZJWPPBQSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001040240794 1345390680 /nfs/dbraw/zinc/39/06/80/1345390680.db2.gz JNKSMLWPHDJDIS-PZJWPPBQSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040241641 1345391694 /nfs/dbraw/zinc/39/16/94/1345391694.db2.gz QKPBLNRMLPHJQW-PZJWPPBQSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001040241641 1345391698 /nfs/dbraw/zinc/39/16/98/1345391698.db2.gz QKPBLNRMLPHJQW-PZJWPPBQSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001040241641 1345391702 /nfs/dbraw/zinc/39/17/02/1345391702.db2.gz QKPBLNRMLPHJQW-PZJWPPBQSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040282989 1345410694 /nfs/dbraw/zinc/41/06/94/1345410694.db2.gz YSEZCLBYXKDIJG-HXUWFJFHSA-N 2 1 340.471 3.063 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040463230 1345509466 /nfs/dbraw/zinc/50/94/66/1345509466.db2.gz FSMJLRKFQKMYLE-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040463526 1345509473 /nfs/dbraw/zinc/50/94/73/1345509473.db2.gz HEDZHDRCAFECFW-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC)C2 ZINC001040489599 1345516480 /nfs/dbraw/zinc/51/64/80/1345516480.db2.gz VXAVSDYVQFPQJY-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC)C2 ZINC001040489599 1345516482 /nfs/dbraw/zinc/51/64/82/1345516482.db2.gz VXAVSDYVQFPQJY-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC)C2 ZINC001040489599 1345516485 /nfs/dbraw/zinc/51/64/85/1345516485.db2.gz VXAVSDYVQFPQJY-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](C(C)C)C2 ZINC001040487734 1345516537 /nfs/dbraw/zinc/51/65/37/1345516537.db2.gz GQKFSFXHSRNGRG-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C(C)C)C2 ZINC001040487734 1345516539 /nfs/dbraw/zinc/51/65/39/1345516539.db2.gz GQKFSFXHSRNGRG-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040487734 1345516540 /nfs/dbraw/zinc/51/65/40/1345516540.db2.gz GQKFSFXHSRNGRG-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](C(C)C)C2)[NH+]1CCCCC1 ZINC001040545067 1345540405 /nfs/dbraw/zinc/54/04/05/1345540405.db2.gz MKSCYJMFEPCHJN-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040546871 1345540827 /nfs/dbraw/zinc/54/08/27/1345540827.db2.gz IGRKWZBTNZQISW-FPOVZHCZSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040546871 1345540830 /nfs/dbraw/zinc/54/08/30/1345540830.db2.gz IGRKWZBTNZQISW-FPOVZHCZSA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC=C(C)C)CC2 ZINC001040953239 1345609246 /nfs/dbraw/zinc/60/92/46/1345609246.db2.gz LYTWGIMTNGBDMV-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CCCC[N@@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042085442 1345940605 /nfs/dbraw/zinc/94/06/05/1345940605.db2.gz NOFBRNFAQYNCLT-RDJZCZTQSA-N 2 1 349.544 3.146 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042085442 1345940606 /nfs/dbraw/zinc/94/06/06/1345940606.db2.gz NOFBRNFAQYNCLT-RDJZCZTQSA-N 2 1 349.544 3.146 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042124605 1345950437 /nfs/dbraw/zinc/95/04/37/1345950437.db2.gz IQTGSUMYTAYYOH-MJGOQNOKSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC001042124605 1345950438 /nfs/dbraw/zinc/95/04/38/1345950438.db2.gz IQTGSUMYTAYYOH-MJGOQNOKSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001042124605 1345950439 /nfs/dbraw/zinc/95/04/39/1345950439.db2.gz IQTGSUMYTAYYOH-MJGOQNOKSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCC(CC(=O)N2CC[C@@H]3CC[N@@H+](CCC(C)(C)C)[C@H]3C2)CC1 ZINC001042257012 1346007902 /nfs/dbraw/zinc/00/79/02/1346007902.db2.gz CKKPCOYTKSBLTN-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001042849973 1346120983 /nfs/dbraw/zinc/12/09/83/1346120983.db2.gz ZIYRDJZTRNLSRQ-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C1C[NH+](CC2CCCCCC2)C1 ZINC001042920229 1346125283 /nfs/dbraw/zinc/12/52/83/1346125283.db2.gz WSIIQESRUMJOBG-IBGZPJMESA-N 2 1 349.563 3.362 20 0 EGADMP Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CC[C@@H]2CCC[N@@H+]2C)cs1 ZINC001045076297 1346490427 /nfs/dbraw/zinc/49/04/27/1346490427.db2.gz RBBRQRWKPLXOHM-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001045103832 1346495359 /nfs/dbraw/zinc/49/53/59/1346495359.db2.gz OZZUGSXZLMOKDB-RBUKOAKNSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045226430 1346535619 /nfs/dbraw/zinc/53/56/19/1346535619.db2.gz SPYXGFZZYAGIDZ-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001045442299 1346594543 /nfs/dbraw/zinc/59/45/43/1346594543.db2.gz REZMTDVGEUVLPN-KRWDZBQOSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1)[NH+](C)C ZINC001045797250 1346700748 /nfs/dbraw/zinc/70/07/48/1346700748.db2.gz XGIKNKPGNHDZDK-AABGKKOBSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001045858275 1346723182 /nfs/dbraw/zinc/72/31/82/1346723182.db2.gz HLHCRVALCAUCHO-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001045858275 1346723184 /nfs/dbraw/zinc/72/31/84/1346723184.db2.gz HLHCRVALCAUCHO-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001045858275 1346723185 /nfs/dbraw/zinc/72/31/85/1346723185.db2.gz HLHCRVALCAUCHO-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001045892386 1346735659 /nfs/dbraw/zinc/73/56/59/1346735659.db2.gz WSRUWIVPJLUVPH-UXHICEINSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958004 1346792387 /nfs/dbraw/zinc/79/23/87/1346792387.db2.gz IXZQAPSSNJGWJL-OAQYLSRUSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCCC[C@]3(CC[NH+](C(C)C)C3)C2)C1 ZINC001045960123 1346794559 /nfs/dbraw/zinc/79/45/59/1346794559.db2.gz AQRAMBUWYPUZLW-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCCC[C@]3(CC[N@@H+](C(C)C)C3)C2)C1 ZINC001045960123 1346794562 /nfs/dbraw/zinc/79/45/62/1346794562.db2.gz AQRAMBUWYPUZLW-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCCC[C@]3(CC[N@H+](C(C)C)C3)C2)C1 ZINC001045960123 1346794564 /nfs/dbraw/zinc/79/45/64/1346794564.db2.gz AQRAMBUWYPUZLW-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045961342 1346796797 /nfs/dbraw/zinc/79/67/97/1346796797.db2.gz MAGRIAQTZCXWLJ-ZJOUEHCJSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001045961342 1346796798 /nfs/dbraw/zinc/79/67/98/1346796798.db2.gz MAGRIAQTZCXWLJ-ZJOUEHCJSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001045961342 1346796802 /nfs/dbraw/zinc/79/68/02/1346796802.db2.gz MAGRIAQTZCXWLJ-ZJOUEHCJSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046316941 1346932036 /nfs/dbraw/zinc/93/20/36/1346932036.db2.gz CPWKBENOTCENGL-YLJYHZDGSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046316941 1346932039 /nfs/dbraw/zinc/93/20/39/1346932039.db2.gz CPWKBENOTCENGL-YLJYHZDGSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046316941 1346932040 /nfs/dbraw/zinc/93/20/40/1346932040.db2.gz CPWKBENOTCENGL-YLJYHZDGSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046449876 1346977877 /nfs/dbraw/zinc/97/78/77/1346977877.db2.gz MYCVFPKBPWXVDF-HRAATJIYSA-N 2 1 348.450 3.290 20 0 EGADMP Cc1ccccc1C[N@H+]1CC[C@@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046450284 1346977913 /nfs/dbraw/zinc/97/79/13/1346977913.db2.gz RCIHCZILEDZOID-OAQYLSRUSA-N 2 1 348.450 3.037 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC(CC)CC)C2)C1 ZINC001046561112 1347017840 /nfs/dbraw/zinc/01/78/40/1347017840.db2.gz DFYIHALIVOYHLN-QUCCMNQESA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CC(CC)CC)C2)C1 ZINC001046561112 1347017842 /nfs/dbraw/zinc/01/78/42/1347017842.db2.gz DFYIHALIVOYHLN-QUCCMNQESA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CC(CC)CC)C2)C1 ZINC001046561112 1347017844 /nfs/dbraw/zinc/01/78/44/1347017844.db2.gz DFYIHALIVOYHLN-QUCCMNQESA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001047248976 1347273631 /nfs/dbraw/zinc/27/36/31/1347273631.db2.gz PYYSDFHEFPVQQK-IHPCNDPISA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001048572843 1347599371 /nfs/dbraw/zinc/59/93/71/1347599371.db2.gz SXCBEIAXVPBFRU-IYWMVGAKSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001048572843 1347599374 /nfs/dbraw/zinc/59/93/74/1347599374.db2.gz SXCBEIAXVPBFRU-IYWMVGAKSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001048572843 1347599375 /nfs/dbraw/zinc/59/93/75/1347599375.db2.gz SXCBEIAXVPBFRU-IYWMVGAKSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048582992 1347605108 /nfs/dbraw/zinc/60/51/08/1347605108.db2.gz BNJSDOCTCAXCJO-OMZCGLGVSA-N 2 1 349.563 3.122 20 0 EGADMP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001048589818 1347609389 /nfs/dbraw/zinc/60/93/89/1347609389.db2.gz AQNJPRNIBNUDMX-OUUBHVDSSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001048589818 1347609392 /nfs/dbraw/zinc/60/93/92/1347609392.db2.gz AQNJPRNIBNUDMX-OUUBHVDSSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001048589818 1347609395 /nfs/dbraw/zinc/60/93/95/1347609395.db2.gz AQNJPRNIBNUDMX-OUUBHVDSSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC001049507242 1347883951 /nfs/dbraw/zinc/88/39/51/1347883951.db2.gz FHCRJZQTMDGMFP-CEXWTWQISA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049507242 1347883954 /nfs/dbraw/zinc/88/39/54/1347883954.db2.gz FHCRJZQTMDGMFP-CEXWTWQISA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C ZINC001049507242 1347883956 /nfs/dbraw/zinc/88/39/56/1347883956.db2.gz FHCRJZQTMDGMFP-CEXWTWQISA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510670 1347884866 /nfs/dbraw/zinc/88/48/66/1347884866.db2.gz IKARGRKKJXYDQB-IAGOWNOFSA-N 2 1 349.544 3.289 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510670 1347884870 /nfs/dbraw/zinc/88/48/70/1347884870.db2.gz IKARGRKKJXYDQB-IAGOWNOFSA-N 2 1 349.544 3.289 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCCC2CCC2)CCC1 ZINC001049516761 1347888098 /nfs/dbraw/zinc/88/80/98/1347888098.db2.gz FSHAVOMQYJQOGP-RBUKOAKNSA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049533038 1347895471 /nfs/dbraw/zinc/89/54/71/1347895471.db2.gz LXFODVMGRSRKIJ-QYZOEREBSA-N 2 1 337.552 3.074 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC001049537526 1347897247 /nfs/dbraw/zinc/89/72/47/1347897247.db2.gz RHZYLNOOXMTJPD-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCC1 ZINC001049537526 1347897251 /nfs/dbraw/zinc/89/72/51/1347897251.db2.gz RHZYLNOOXMTJPD-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCC1 ZINC001049537526 1347897252 /nfs/dbraw/zinc/89/72/52/1347897252.db2.gz RHZYLNOOXMTJPD-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC1CCCC1)[NH+](C)C ZINC001049550478 1347903780 /nfs/dbraw/zinc/90/37/80/1347903780.db2.gz MGZCHXLQQPOFGR-AQNXPRMDSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCC(C)C)C1 ZINC001049661966 1347961362 /nfs/dbraw/zinc/96/13/62/1347961362.db2.gz CNFQCKAZIYFIRC-XUVXKRRUSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCC(C)C)C1 ZINC001049661966 1347961366 /nfs/dbraw/zinc/96/13/66/1347961366.db2.gz CNFQCKAZIYFIRC-XUVXKRRUSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCC(C)C)C1 ZINC001049661966 1347961368 /nfs/dbraw/zinc/96/13/68/1347961368.db2.gz CNFQCKAZIYFIRC-XUVXKRRUSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049672389 1347966355 /nfs/dbraw/zinc/96/63/55/1347966355.db2.gz SJJVMXAGYONRMI-FRYIKTPZSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049672389 1347966357 /nfs/dbraw/zinc/96/63/57/1347966357.db2.gz SJJVMXAGYONRMI-FRYIKTPZSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049672389 1347966359 /nfs/dbraw/zinc/96/63/59/1347966359.db2.gz SJJVMXAGYONRMI-FRYIKTPZSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049768681 1348011096 /nfs/dbraw/zinc/01/10/96/1348011096.db2.gz YPJUFGMKXBAOBK-AQNXPRMDSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001049768681 1348011098 /nfs/dbraw/zinc/01/10/98/1348011098.db2.gz YPJUFGMKXBAOBK-AQNXPRMDSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001049768681 1348011101 /nfs/dbraw/zinc/01/11/01/1348011101.db2.gz YPJUFGMKXBAOBK-AQNXPRMDSA-N 2 1 349.563 3.361 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049787098 1348021830 /nfs/dbraw/zinc/02/18/30/1348021830.db2.gz DZTGTTXQPRJQDM-WOJBJXKFSA-N 2 1 343.515 3.227 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC ZINC001049835950 1348048914 /nfs/dbraw/zinc/04/89/14/1348048914.db2.gz MSIBQFPEDQAWNJ-GUDVDZBRSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC ZINC001049835950 1348048918 /nfs/dbraw/zinc/04/89/18/1348048918.db2.gz MSIBQFPEDQAWNJ-GUDVDZBRSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC ZINC001049835950 1348048920 /nfs/dbraw/zinc/04/89/20/1348048920.db2.gz MSIBQFPEDQAWNJ-GUDVDZBRSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049913969 1348109209 /nfs/dbraw/zinc/10/92/09/1348109209.db2.gz KZBYKAQOTQKJKK-ZCNNSNEGSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001050175315 1348202938 /nfs/dbraw/zinc/20/29/38/1348202938.db2.gz OZNXUGCNKVFTME-YZGWKJHDSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001050261623 1348221627 /nfs/dbraw/zinc/22/16/27/1348221627.db2.gz HQUWRFQBCQUPFW-QFBILLFUSA-N 2 1 331.504 3.235 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)C2)CC1 ZINC001050331158 1348229376 /nfs/dbraw/zinc/22/93/76/1348229376.db2.gz GERRUDGFNFNLSU-DRRJLQACSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001050339776 1348231843 /nfs/dbraw/zinc/23/18/43/1348231843.db2.gz VAYGVOCNCKSUTF-VAMGGRTRSA-N 2 1 349.563 3.172 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001050386931 1348246935 /nfs/dbraw/zinc/24/69/35/1348246935.db2.gz XXLXPQNQVDZGLH-UFYCRDLUSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC3(C2)CC[NH+](C[C@H](C)CC)CC3)C1 ZINC001050630179 1348308554 /nfs/dbraw/zinc/30/85/54/1348308554.db2.gz LIVHCQVVAVDTIW-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381407 1348536838 /nfs/dbraw/zinc/53/68/38/1348536838.db2.gz PZDAXGSWJOOMGM-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052381407 1348536839 /nfs/dbraw/zinc/53/68/39/1348536839.db2.gz PZDAXGSWJOOMGM-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052381407 1348536841 /nfs/dbraw/zinc/53/68/41/1348536841.db2.gz PZDAXGSWJOOMGM-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC001052499536 1348560153 /nfs/dbraw/zinc/56/01/53/1348560153.db2.gz XBYCQKBYZKNZHQ-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC001052499536 1348560155 /nfs/dbraw/zinc/56/01/55/1348560155.db2.gz XBYCQKBYZKNZHQ-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001052499536 1348560158 /nfs/dbraw/zinc/56/01/58/1348560158.db2.gz XBYCQKBYZKNZHQ-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052506839 1348561444 /nfs/dbraw/zinc/56/14/44/1348561444.db2.gz MRUHDZJURKZZSA-DOTOQJQBSA-N 2 1 342.487 3.273 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCC[N@@H+](Cc2ccsc2)CC1)[NH+]1CCCC1 ZINC001052618897 1348598068 /nfs/dbraw/zinc/59/80/68/1348598068.db2.gz AGTGATFDVIZPPT-QGZVFWFLSA-N 2 1 349.544 3.093 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC001052765422 1348670031 /nfs/dbraw/zinc/67/00/31/1348670031.db2.gz ZEIPCTFFJGIFOW-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCC3CC3)CC2)cc1 ZINC001052787020 1348679383 /nfs/dbraw/zinc/67/93/83/1348679383.db2.gz GHMZEGYZRJDETA-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CC2)CC1 ZINC001052859461 1348705446 /nfs/dbraw/zinc/70/54/46/1348705446.db2.gz MDMOIZZVPWLNII-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC2)CC1 ZINC001052859461 1348705447 /nfs/dbraw/zinc/70/54/47/1348705447.db2.gz MDMOIZZVPWLNII-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC2)CC1 ZINC001052859461 1348705452 /nfs/dbraw/zinc/70/54/52/1348705452.db2.gz MDMOIZZVPWLNII-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](CC3CCCCCC3)CC2)C1 ZINC001052867398 1348710038 /nfs/dbraw/zinc/71/00/38/1348710038.db2.gz LYJKPYWLZWRMQY-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@H+](CC3CCCCCC3)CC2)C1 ZINC001052867398 1348710041 /nfs/dbraw/zinc/71/00/41/1348710041.db2.gz LYJKPYWLZWRMQY-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@@H+](CC3CCCCCC3)CC2)C1 ZINC001052867398 1348710043 /nfs/dbraw/zinc/71/00/43/1348710043.db2.gz LYJKPYWLZWRMQY-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC001052956585 1348770383 /nfs/dbraw/zinc/77/03/83/1348770383.db2.gz VKCQFOGWZKVHJG-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001052956585 1348770387 /nfs/dbraw/zinc/77/03/87/1348770387.db2.gz VKCQFOGWZKVHJG-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001052956585 1348770391 /nfs/dbraw/zinc/77/03/91/1348770391.db2.gz VKCQFOGWZKVHJG-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(C)C)CC2)o1 ZINC001052967359 1348778599 /nfs/dbraw/zinc/77/85/99/1348778599.db2.gz GKMZGQILKLOQGZ-KRWDZBQOSA-N 2 1 349.519 3.362 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029902 1348828820 /nfs/dbraw/zinc/82/88/20/1348828820.db2.gz XZXRLQHWGRHHRU-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053029902 1348828826 /nfs/dbraw/zinc/82/88/26/1348828826.db2.gz XZXRLQHWGRHHRU-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053029902 1348828829 /nfs/dbraw/zinc/82/88/29/1348828829.db2.gz XZXRLQHWGRHHRU-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053053744 1348859298 /nfs/dbraw/zinc/85/92/98/1348859298.db2.gz BUJIIKHMQXGPBD-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107570 1348946109 /nfs/dbraw/zinc/94/61/09/1348946109.db2.gz JJPACXDVFLBGSB-RBUKOAKNSA-N 2 1 346.519 3.085 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107570 1348946113 /nfs/dbraw/zinc/94/61/13/1348946113.db2.gz JJPACXDVFLBGSB-RBUKOAKNSA-N 2 1 346.519 3.085 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@]3(CC[NH+](CCC(C)(C)C)C3)C2)C1 ZINC001054197387 1349199302 /nfs/dbraw/zinc/19/93/02/1349199302.db2.gz ARPRJMZSUOHLQH-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@]3(CC[N@H+](CCC(C)(C)C)C3)C2)C1 ZINC001054197387 1349199303 /nfs/dbraw/zinc/19/93/03/1349199303.db2.gz ARPRJMZSUOHLQH-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)C1 ZINC001054197387 1349199308 /nfs/dbraw/zinc/19/93/08/1349199308.db2.gz ARPRJMZSUOHLQH-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001054209276 1349210660 /nfs/dbraw/zinc/21/06/60/1349210660.db2.gz MYBZGGUOIBSVQG-FQEVSTJZSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001054209276 1349210663 /nfs/dbraw/zinc/21/06/63/1349210663.db2.gz MYBZGGUOIBSVQG-FQEVSTJZSA-N 2 1 346.519 3.121 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001080017658 1357459595 /nfs/dbraw/zinc/45/95/95/1357459595.db2.gz RMCDHPWCKDJEIT-RLLQIKCJSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001080017658 1357459597 /nfs/dbraw/zinc/45/95/97/1357459597.db2.gz RMCDHPWCKDJEIT-RLLQIKCJSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C ZINC001080017658 1357459598 /nfs/dbraw/zinc/45/95/98/1357459598.db2.gz RMCDHPWCKDJEIT-RLLQIKCJSA-N 2 1 347.547 3.044 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254756 1357537463 /nfs/dbraw/zinc/53/74/63/1357537463.db2.gz DXFGFTNBPJSMES-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[N@@H+]1CCC(C)(C)C ZINC001071769114 1354915893 /nfs/dbraw/zinc/91/58/93/1354915893.db2.gz LMJPVEBVVZXHAD-WBVHZDCISA-N 2 1 349.519 3.360 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[N@H+]1CCC(C)(C)C ZINC001071769114 1354915900 /nfs/dbraw/zinc/91/59/00/1354915900.db2.gz LMJPVEBVVZXHAD-WBVHZDCISA-N 2 1 349.519 3.360 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCC3CCCC3)C2)CC1 ZINC001071930348 1355030558 /nfs/dbraw/zinc/03/05/58/1355030558.db2.gz CXBXJHHTRAQSCZ-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001072084382 1355119895 /nfs/dbraw/zinc/11/98/95/1355119895.db2.gz BDALJCGDZQKUJZ-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001072084382 1355119898 /nfs/dbraw/zinc/11/98/98/1355119898.db2.gz BDALJCGDZQKUJZ-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072096362 1355127447 /nfs/dbraw/zinc/12/74/47/1355127447.db2.gz YBWBHMWXDZSQBN-YLJYHZDGSA-N 2 1 343.515 3.297 20 0 EGADMP CC(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CCCCCC1)C2)[NH+](C)C ZINC001072955213 1355520848 /nfs/dbraw/zinc/52/08/48/1355520848.db2.gz ACRPICJKJRCTCY-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001183228265 1387282385 /nfs/dbraw/zinc/28/23/85/1387282385.db2.gz DNXYAZAOXZKXOA-UYAOXDASSA-N 2 1 339.568 3.373 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC1 ZINC001074015802 1356036053 /nfs/dbraw/zinc/03/60/53/1356036053.db2.gz PMCJGTMNGYSNPA-SJLPKXTDSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC1 ZINC001074015802 1356036058 /nfs/dbraw/zinc/03/60/58/1356036058.db2.gz PMCJGTMNGYSNPA-SJLPKXTDSA-N 2 1 346.519 3.120 20 0 EGADMP Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@H]2C)cs1 ZINC001074649292 1356221287 /nfs/dbraw/zinc/22/12/87/1356221287.db2.gz VVWFOQDMIGTXDT-SZMVWBNQSA-N 2 1 349.544 3.008 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@H]2C)c1 ZINC001074809667 1356250030 /nfs/dbraw/zinc/25/00/30/1356250030.db2.gz YAQQVJQJMFKWBG-UMGGQSCQSA-N 2 1 343.515 3.119 20 0 EGADMP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)CC1 ZINC001075460626 1356394334 /nfs/dbraw/zinc/39/43/34/1356394334.db2.gz YGWSBUXIWRBSEV-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC2CCCC2)CCC1 ZINC001099107172 1363625748 /nfs/dbraw/zinc/62/57/48/1363625748.db2.gz WPJFBYHUQOGINQ-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099107352 1363625952 /nfs/dbraw/zinc/62/59/52/1363625952.db2.gz YAZIVKGOTIHDEX-KRWDZBQOSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099257940 1363718599 /nfs/dbraw/zinc/71/85/99/1363718599.db2.gz MEQRXEJQCQURGJ-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099257940 1363718603 /nfs/dbraw/zinc/71/86/03/1363718603.db2.gz MEQRXEJQCQURGJ-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP CC[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1[NH2+]Cc1ccc(C)cc1 ZINC001323158367 1387304071 /nfs/dbraw/zinc/30/40/71/1387304071.db2.gz ICHTYENILHVTTK-VQTJNVASSA-N 2 1 345.531 3.054 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CC1CCCC1 ZINC001082559221 1358057126 /nfs/dbraw/zinc/05/71/26/1358057126.db2.gz YFQXXALCKZWOKU-AHRSYUTCSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCC1CCCCC1 ZINC001082570329 1358057934 /nfs/dbraw/zinc/05/79/34/1358057934.db2.gz HGFWHXHTIDMXFW-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001082698336 1358078259 /nfs/dbraw/zinc/07/82/59/1358078259.db2.gz BZMCWMIPVUKYBV-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001082943513 1358107118 /nfs/dbraw/zinc/10/71/18/1358107118.db2.gz MGVVCNMXNYJRNT-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101616 1358391660 /nfs/dbraw/zinc/39/16/60/1358391660.db2.gz VAVSBRYWOWZJOU-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085197020 1358431277 /nfs/dbraw/zinc/43/12/77/1358431277.db2.gz ZJNBXLXWJHCOPY-GUDVDZBRSA-N 2 1 335.536 3.066 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001085196773 1358431436 /nfs/dbraw/zinc/43/14/36/1358431436.db2.gz NMGGVEKIXABHQZ-AQNXPRMDSA-N 2 1 347.547 3.377 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2=CCCCC2)CC[N@H+]1C ZINC001085203687 1358432424 /nfs/dbraw/zinc/43/24/24/1358432424.db2.gz WIXKSHMPGRTWRM-MTQWCTHYSA-N 2 1 347.547 3.234 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001085217874 1358436266 /nfs/dbraw/zinc/43/62/66/1358436266.db2.gz VUARYKCBVQYEGX-AQNXPRMDSA-N 2 1 349.563 3.458 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001085245654 1358442812 /nfs/dbraw/zinc/44/28/12/1358442812.db2.gz GWETVHVSHAQTRE-GUDVDZBRSA-N 2 1 347.547 3.068 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@@H+]2CCC[C@H]2C)cs1 ZINC001085332009 1358470420 /nfs/dbraw/zinc/47/04/20/1358470420.db2.gz HUCUGQYEDKUAMB-ZTFGCOKTSA-N 2 1 349.544 3.058 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001183739505 1387339672 /nfs/dbraw/zinc/33/96/72/1387339672.db2.gz SNOZIMRJPHJPIG-GOSISDBHSA-N 2 1 345.531 3.033 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085597766 1358624710 /nfs/dbraw/zinc/62/47/10/1358624710.db2.gz FSQQOKNGEDOJDQ-QUCCMNQESA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085597766 1358624715 /nfs/dbraw/zinc/62/47/15/1358624715.db2.gz FSQQOKNGEDOJDQ-QUCCMNQESA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085597766 1358624720 /nfs/dbraw/zinc/62/47/20/1358624720.db2.gz FSQQOKNGEDOJDQ-QUCCMNQESA-N 2 1 347.547 3.140 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085639553 1358652433 /nfs/dbraw/zinc/65/24/33/1358652433.db2.gz RDHRTPSZRQEFQV-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639553 1358652437 /nfs/dbraw/zinc/65/24/37/1358652437.db2.gz RDHRTPSZRQEFQV-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085639553 1358652443 /nfs/dbraw/zinc/65/24/43/1358652443.db2.gz RDHRTPSZRQEFQV-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCC1 ZINC001085688143 1358688232 /nfs/dbraw/zinc/68/82/32/1358688232.db2.gz CSHBYIHRQZCQMH-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC001085688143 1358688236 /nfs/dbraw/zinc/68/82/36/1358688236.db2.gz CSHBYIHRQZCQMH-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001085688143 1358688239 /nfs/dbraw/zinc/68/82/39/1358688239.db2.gz CSHBYIHRQZCQMH-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCC1CCCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001085695925 1358691772 /nfs/dbraw/zinc/69/17/72/1358691772.db2.gz VIUSXGISKLVMQJ-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782248 1358756751 /nfs/dbraw/zinc/75/67/51/1358756751.db2.gz PXKIOPPZIPGZRB-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782248 1358756754 /nfs/dbraw/zinc/75/67/54/1358756754.db2.gz PXKIOPPZIPGZRB-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782248 1358756759 /nfs/dbraw/zinc/75/67/59/1358756759.db2.gz PXKIOPPZIPGZRB-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CC1CCC1)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085782130 1358757124 /nfs/dbraw/zinc/75/71/24/1358757124.db2.gz NQDBPSRVDBZVIH-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CC1CCC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782130 1358757127 /nfs/dbraw/zinc/75/71/27/1358757127.db2.gz NQDBPSRVDBZVIH-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CC1CCC1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782130 1358757132 /nfs/dbraw/zinc/75/71/32/1358757132.db2.gz NQDBPSRVDBZVIH-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782568 1358758217 /nfs/dbraw/zinc/75/82/17/1358758217.db2.gz XUZJZRIHWVAADI-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782568 1358758222 /nfs/dbraw/zinc/75/82/22/1358758222.db2.gz XUZJZRIHWVAADI-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782568 1358758227 /nfs/dbraw/zinc/75/82/27/1358758227.db2.gz XUZJZRIHWVAADI-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCC1 ZINC001085855778 1358822932 /nfs/dbraw/zinc/82/29/32/1358822932.db2.gz JCIJMIOLANKSOW-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC1CCC1 ZINC001085855778 1358822938 /nfs/dbraw/zinc/82/29/38/1358822938.db2.gz JCIJMIOLANKSOW-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCC1 ZINC001085855778 1358822942 /nfs/dbraw/zinc/82/29/42/1358822942.db2.gz JCIJMIOLANKSOW-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCC1 ZINC001085856447 1358823790 /nfs/dbraw/zinc/82/37/90/1358823790.db2.gz ZBRPJQNQISLVLL-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCC1 ZINC001085856447 1358823795 /nfs/dbraw/zinc/82/37/95/1358823795.db2.gz ZBRPJQNQISLVLL-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001085856447 1358823798 /nfs/dbraw/zinc/82/37/98/1358823798.db2.gz ZBRPJQNQISLVLL-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086364480 1359078608 /nfs/dbraw/zinc/07/86/08/1359078608.db2.gz GSGXMBDJKHNYJN-QGZVKYPTSA-N 2 1 343.515 3.105 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)CC[N@H+]1C ZINC001086371104 1359079510 /nfs/dbraw/zinc/07/95/10/1359079510.db2.gz QJCSFTXFEURMCW-LWYYNNOASA-N 2 1 349.563 3.172 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC001086403186 1359088236 /nfs/dbraw/zinc/08/82/36/1359088236.db2.gz ZECLESJSAFSQRG-AFYVEPGGSA-N 2 1 343.515 3.106 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001086454258 1359101517 /nfs/dbraw/zinc/10/15/17/1359101517.db2.gz ZBQJHJSZDBOFJS-WDSOQIARSA-N 2 1 349.563 3.029 20 0 EGADMP CC(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939054 1359261478 /nfs/dbraw/zinc/26/14/78/1359261478.db2.gz HLACFBYYQIMPQD-OTWHNJEPSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086942725 1359263973 /nfs/dbraw/zinc/26/39/73/1359263973.db2.gz YYDXXESQKRDKAO-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@H+]1CC1=CCCCC1 ZINC001087569742 1359535657 /nfs/dbraw/zinc/53/56/57/1359535657.db2.gz KSNZOPJAAMCVDQ-XUVXKRRUSA-N 2 1 347.547 3.329 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CC1=CCCCC1 ZINC001087569742 1359535658 /nfs/dbraw/zinc/53/56/58/1359535658.db2.gz KSNZOPJAAMCVDQ-XUVXKRRUSA-N 2 1 347.547 3.329 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC[NH+]1CC1=CCCCC1 ZINC001087569742 1359535661 /nfs/dbraw/zinc/53/56/61/1359535661.db2.gz KSNZOPJAAMCVDQ-XUVXKRRUSA-N 2 1 347.547 3.329 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC[NH+]1CC1CC(C)(C)C1 ZINC001087578881 1359538886 /nfs/dbraw/zinc/53/88/86/1359538886.db2.gz VHEMMDHZLOSDPW-INDMIFKZSA-N 2 1 349.563 3.122 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CC(C)(C)C3)[C@@H]2CC)CC[NH+]1C ZINC001087578881 1359538888 /nfs/dbraw/zinc/53/88/88/1359538888.db2.gz VHEMMDHZLOSDPW-INDMIFKZSA-N 2 1 349.563 3.122 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CC(C)(C)C3)[C@@H]2CC)CC[NH+]1C ZINC001087578881 1359538891 /nfs/dbraw/zinc/53/88/91/1359538891.db2.gz VHEMMDHZLOSDPW-INDMIFKZSA-N 2 1 349.563 3.122 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC[N@H+]1CC1CCCC1 ZINC001087602221 1359550904 /nfs/dbraw/zinc/55/09/04/1359550904.db2.gz FMXXUQQPFCHZJW-SLFFLAALSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CC1CCCC1 ZINC001087602221 1359550907 /nfs/dbraw/zinc/55/09/07/1359550907.db2.gz FMXXUQQPFCHZJW-SLFFLAALSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC[NH+]1CC1CCCC1 ZINC001087602221 1359550909 /nfs/dbraw/zinc/55/09/09/1359550909.db2.gz FMXXUQQPFCHZJW-SLFFLAALSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1CC ZINC001087671631 1359582808 /nfs/dbraw/zinc/58/28/08/1359582808.db2.gz HZAPEVWDNULKRP-VQTJNVASSA-N 2 1 345.531 3.174 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[N@@H+]1CCC(C)C ZINC001087744830 1359624513 /nfs/dbraw/zinc/62/45/13/1359624513.db2.gz MYLUMZHIWUENIB-DLBZAZTESA-N 2 1 334.508 3.022 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[N@H+]1CCC(C)C ZINC001087744830 1359624515 /nfs/dbraw/zinc/62/45/15/1359624515.db2.gz MYLUMZHIWUENIB-DLBZAZTESA-N 2 1 334.508 3.022 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1CC ZINC001087746175 1359625701 /nfs/dbraw/zinc/62/57/01/1359625701.db2.gz KPUVYRXJICMGON-YESZJQIVSA-N 2 1 334.508 3.022 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1CC ZINC001087746175 1359625707 /nfs/dbraw/zinc/62/57/07/1359625707.db2.gz KPUVYRXJICMGON-YESZJQIVSA-N 2 1 334.508 3.022 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@@H+]1CCC1=CCCCC1 ZINC001087830643 1359667942 /nfs/dbraw/zinc/66/79/42/1359667942.db2.gz QNFKYNLIWHTDLW-RBUKOAKNSA-N 2 1 344.503 3.051 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@H+]1CCC1=CCCCC1 ZINC001087830643 1359667947 /nfs/dbraw/zinc/66/79/47/1359667947.db2.gz QNFKYNLIWHTDLW-RBUKOAKNSA-N 2 1 344.503 3.051 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001088348108 1359834051 /nfs/dbraw/zinc/83/40/51/1359834051.db2.gz LFQDKHRUCIVTDH-LJQANCHMSA-N 2 1 344.503 3.053 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1 ZINC001088394783 1359871119 /nfs/dbraw/zinc/87/11/19/1359871119.db2.gz ONGRHUZUOIXGEX-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N2CCCCC[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001088425371 1359893961 /nfs/dbraw/zinc/89/39/61/1359893961.db2.gz ULLTZBDGGBYPOH-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001088431112 1359899156 /nfs/dbraw/zinc/89/91/56/1359899156.db2.gz IJTXJQJZMIKGMA-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)[C@@H]1C ZINC001088563215 1359974041 /nfs/dbraw/zinc/97/40/41/1359974041.db2.gz IGLOPQUAUIMTSK-YZGWKJHDSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)[C@@H]1C ZINC001088563215 1359974047 /nfs/dbraw/zinc/97/40/47/1359974047.db2.gz IGLOPQUAUIMTSK-YZGWKJHDSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)[C@@H]1C ZINC001088563215 1359974051 /nfs/dbraw/zinc/97/40/51/1359974051.db2.gz IGLOPQUAUIMTSK-YZGWKJHDSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001088621896 1359993288 /nfs/dbraw/zinc/99/32/88/1359993288.db2.gz YEMMKMQDJCHBCY-RLLQIKCJSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](CCCC2CCC2)[C@@H]1C ZINC001088621896 1359993290 /nfs/dbraw/zinc/99/32/90/1359993290.db2.gz YEMMKMQDJCHBCY-RLLQIKCJSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)[C@@H]1C ZINC001088621896 1359993296 /nfs/dbraw/zinc/99/32/96/1359993296.db2.gz YEMMKMQDJCHBCY-RLLQIKCJSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2=CCCCC2)[C@@H]1C ZINC001088692911 1360013940 /nfs/dbraw/zinc/01/39/40/1360013940.db2.gz CVAXNXOPFNISGO-YZGWKJHDSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)[C@@H]1C ZINC001088692911 1360013946 /nfs/dbraw/zinc/01/39/46/1360013946.db2.gz CVAXNXOPFNISGO-YZGWKJHDSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)[C@@H]1C ZINC001088692911 1360013951 /nfs/dbraw/zinc/01/39/51/1360013951.db2.gz CVAXNXOPFNISGO-YZGWKJHDSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001088692914 1360014069 /nfs/dbraw/zinc/01/40/69/1360014069.db2.gz CYEBTLCFNHQSBR-HOJAQTOUSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1C ZINC001088692914 1360014071 /nfs/dbraw/zinc/01/40/71/1360014071.db2.gz CYEBTLCFNHQSBR-HOJAQTOUSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1C ZINC001088692914 1360014074 /nfs/dbraw/zinc/01/40/74/1360014074.db2.gz CYEBTLCFNHQSBR-HOJAQTOUSA-N 2 1 349.563 3.266 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@H]2C)cc1 ZINC001088748739 1360030350 /nfs/dbraw/zinc/03/03/50/1360030350.db2.gz TYUVSWJGGDXGPJ-UZLBHIALSA-N 2 1 348.450 3.036 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CC1CCCCCC1 ZINC001088816779 1360061134 /nfs/dbraw/zinc/06/11/34/1360061134.db2.gz OXSIFPDHISWBEL-HNJRGHQBSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CC1CCCCCC1 ZINC001088816779 1360061138 /nfs/dbraw/zinc/06/11/38/1360061138.db2.gz OXSIFPDHISWBEL-HNJRGHQBSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CC1CCCCCC1 ZINC001088816779 1360061142 /nfs/dbraw/zinc/06/11/42/1360061142.db2.gz OXSIFPDHISWBEL-HNJRGHQBSA-N 2 1 349.563 3.266 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CC1 ZINC001089181369 1360231123 /nfs/dbraw/zinc/23/11/23/1360231123.db2.gz PMCJGTMNGYSNPA-AEFFLSMTSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CC1 ZINC001089181369 1360231125 /nfs/dbraw/zinc/23/11/25/1360231125.db2.gz PMCJGTMNGYSNPA-AEFFLSMTSA-N 2 1 346.519 3.120 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)CC(C)(C)C1 ZINC001089333634 1360347034 /nfs/dbraw/zinc/34/70/34/1360347034.db2.gz BMDNQPFJSGRHMR-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)CC(C)(C)C1 ZINC001089333634 1360347039 /nfs/dbraw/zinc/34/70/39/1360347039.db2.gz BMDNQPFJSGRHMR-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)CC(C)(C)C1 ZINC001089333634 1360347041 /nfs/dbraw/zinc/34/70/41/1360347041.db2.gz BMDNQPFJSGRHMR-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089334748 1360347681 /nfs/dbraw/zinc/34/76/81/1360347681.db2.gz KGBQOKOFBTVTTK-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089334748 1360347684 /nfs/dbraw/zinc/34/76/84/1360347684.db2.gz KGBQOKOFBTVTTK-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089334748 1360347687 /nfs/dbraw/zinc/34/76/87/1360347687.db2.gz KGBQOKOFBTVTTK-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089380541 1360383358 /nfs/dbraw/zinc/38/33/58/1360383358.db2.gz FJZVLLPTZFZKQV-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001089380541 1360383361 /nfs/dbraw/zinc/38/33/61/1360383361.db2.gz FJZVLLPTZFZKQV-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1 ZINC001089380541 1360383364 /nfs/dbraw/zinc/38/33/64/1360383364.db2.gz FJZVLLPTZFZKQV-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382498 1360383795 /nfs/dbraw/zinc/38/37/95/1360383795.db2.gz RTHNTJKKBFAZBO-ROUUACIJSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089382498 1360383798 /nfs/dbraw/zinc/38/37/98/1360383798.db2.gz RTHNTJKKBFAZBO-ROUUACIJSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089382498 1360383800 /nfs/dbraw/zinc/38/38/00/1360383800.db2.gz RTHNTJKKBFAZBO-ROUUACIJSA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCC3CC3)CC(C)(C)C2)CC[N@H+]1C ZINC001089392467 1360393217 /nfs/dbraw/zinc/39/32/17/1360393217.db2.gz UYXVSKLPTYAVHR-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCC3CC3)CC(C)(C)C2)CC[NH+]1C ZINC001089392467 1360393220 /nfs/dbraw/zinc/39/32/20/1360393220.db2.gz UYXVSKLPTYAVHR-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC3CC3)CC(C)(C)C2)CC[NH+]1C ZINC001089392467 1360393224 /nfs/dbraw/zinc/39/32/24/1360393224.db2.gz UYXVSKLPTYAVHR-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089421025 1360415025 /nfs/dbraw/zinc/41/50/25/1360415025.db2.gz QETYJHWNWMNWEC-ZWKOTPCHSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421025 1360415026 /nfs/dbraw/zinc/41/50/26/1360415026.db2.gz QETYJHWNWMNWEC-ZWKOTPCHSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421025 1360415028 /nfs/dbraw/zinc/41/50/28/1360415028.db2.gz QETYJHWNWMNWEC-ZWKOTPCHSA-N 2 1 335.536 3.044 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089441567 1360431494 /nfs/dbraw/zinc/43/14/94/1360431494.db2.gz IGSLWEZZQDMHTA-QGZVFWFLSA-N 2 1 342.487 3.355 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089475469 1360458500 /nfs/dbraw/zinc/45/85/00/1360458500.db2.gz BLQUFDLHVZIJDO-KRWDZBQOSA-N 2 1 349.519 3.218 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089512007 1360483561 /nfs/dbraw/zinc/48/35/61/1360483561.db2.gz YASTXGUHEQJMFO-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089512007 1360483563 /nfs/dbraw/zinc/48/35/63/1360483563.db2.gz YASTXGUHEQJMFO-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089512007 1360483567 /nfs/dbraw/zinc/48/35/67/1360483567.db2.gz YASTXGUHEQJMFO-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC)CC(C)(C)C1 ZINC001089538580 1360496609 /nfs/dbraw/zinc/49/66/09/1360496609.db2.gz XDFAENSNLYHGII-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC)CC(C)(C)C1 ZINC001089538580 1360496612 /nfs/dbraw/zinc/49/66/12/1360496612.db2.gz XDFAENSNLYHGII-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC)CC(C)(C)C1 ZINC001089538580 1360496614 /nfs/dbraw/zinc/49/66/14/1360496614.db2.gz XDFAENSNLYHGII-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089560484 1360508263 /nfs/dbraw/zinc/50/82/63/1360508263.db2.gz YXYQRJKMVLIYBS-QGZVFWFLSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089560484 1360508267 /nfs/dbraw/zinc/50/82/67/1360508267.db2.gz YXYQRJKMVLIYBS-QGZVFWFLSA-N 2 1 348.535 3.235 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CCCC1 ZINC001089617373 1360537437 /nfs/dbraw/zinc/53/74/37/1360537437.db2.gz ZUSPKTFUYMCFKS-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC1CCCC1 ZINC001089617373 1360537439 /nfs/dbraw/zinc/53/74/39/1360537439.db2.gz ZUSPKTFUYMCFKS-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC1CCCC1 ZINC001089617373 1360537443 /nfs/dbraw/zinc/53/74/43/1360537443.db2.gz ZUSPKTFUYMCFKS-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089650131 1360563661 /nfs/dbraw/zinc/56/36/61/1360563661.db2.gz VNCDKSZXFAWCDI-DLBZAZTESA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089650131 1360563662 /nfs/dbraw/zinc/56/36/62/1360563662.db2.gz VNCDKSZXFAWCDI-DLBZAZTESA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089726155 1360629612 /nfs/dbraw/zinc/62/96/12/1360629612.db2.gz NPCFJEYKWNDWLP-INIZCTEOSA-N 2 1 346.519 3.024 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089726155 1360629615 /nfs/dbraw/zinc/62/96/15/1360629615.db2.gz NPCFJEYKWNDWLP-INIZCTEOSA-N 2 1 346.519 3.024 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)C1)C1CCCCC1 ZINC001184608807 1387500162 /nfs/dbraw/zinc/50/01/62/1387500162.db2.gz DVUQURAQQLSOHH-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828029 1361465244 /nfs/dbraw/zinc/46/52/44/1361465244.db2.gz DCKLVTYLYXMMAP-NVXWUHKLSA-N 2 1 342.487 3.068 20 0 EGADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001093835860 1361704119 /nfs/dbraw/zinc/70/41/19/1361704119.db2.gz MNTMDRZCBJCPAD-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CCCC1)CC2 ZINC001094380621 1361780957 /nfs/dbraw/zinc/78/09/57/1361780957.db2.gz UWLQYBKAFMIPPR-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CCCC1)CC2 ZINC001094380621 1361780958 /nfs/dbraw/zinc/78/09/58/1361780958.db2.gz UWLQYBKAFMIPPR-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CCCC1)CC2 ZINC001094380621 1361780960 /nfs/dbraw/zinc/78/09/60/1361780960.db2.gz UWLQYBKAFMIPPR-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCC1)CC2 ZINC001094414205 1361791107 /nfs/dbraw/zinc/79/11/07/1361791107.db2.gz WYHHPVXATOXZKE-SFHLNBCPSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2 ZINC001094414205 1361791111 /nfs/dbraw/zinc/79/11/11/1361791111.db2.gz WYHHPVXATOXZKE-SFHLNBCPSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2 ZINC001094414205 1361791113 /nfs/dbraw/zinc/79/11/13/1361791113.db2.gz WYHHPVXATOXZKE-SFHLNBCPSA-N 2 1 347.547 3.020 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001184808973 1387543611 /nfs/dbraw/zinc/54/36/11/1387543611.db2.gz CIFLDMRZKVMVSI-XZJTZLQGSA-N 2 1 346.519 3.012 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001095625126 1362188427 /nfs/dbraw/zinc/18/84/27/1362188427.db2.gz ZLDHUUUOZHZTCN-FYQPLNBISA-N 2 1 345.531 3.083 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001095625126 1362188429 /nfs/dbraw/zinc/18/84/29/1362188429.db2.gz ZLDHUUUOZHZTCN-FYQPLNBISA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1=CCCCC1 ZINC001095625126 1362188431 /nfs/dbraw/zinc/18/84/31/1362188431.db2.gz ZLDHUUUOZHZTCN-FYQPLNBISA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1=CCCCC1 ZINC001095625126 1362188434 /nfs/dbraw/zinc/18/84/34/1362188434.db2.gz ZLDHUUUOZHZTCN-FYQPLNBISA-N 2 1 345.531 3.083 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(CC)CC)C1 ZINC001095903788 1362279469 /nfs/dbraw/zinc/27/94/69/1362279469.db2.gz LWZYZEVXKYRCBW-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(CC)CC)C1 ZINC001095903788 1362279470 /nfs/dbraw/zinc/27/94/70/1362279470.db2.gz LWZYZEVXKYRCBW-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(CC)CC)C1 ZINC001095903788 1362279471 /nfs/dbraw/zinc/27/94/71/1362279471.db2.gz LWZYZEVXKYRCBW-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC=C(C)C ZINC001096313602 1362460236 /nfs/dbraw/zinc/46/02/36/1362460236.db2.gz KWXXRJHIJZUYFU-FYQPLNBISA-N 2 1 347.547 3.329 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(C)C ZINC001096313602 1362460240 /nfs/dbraw/zinc/46/02/40/1362460240.db2.gz KWXXRJHIJZUYFU-FYQPLNBISA-N 2 1 347.547 3.329 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001096313602 1362460248 /nfs/dbraw/zinc/46/02/48/1362460248.db2.gz KWXXRJHIJZUYFU-FYQPLNBISA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)[NH+]1CCCCC1 ZINC001097074451 1362834297 /nfs/dbraw/zinc/83/42/97/1362834297.db2.gz CGNBJOXPKZEYFA-QRVBRYPASA-N 2 1 347.547 3.163 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001097176886 1362874776 /nfs/dbraw/zinc/87/47/76/1362874776.db2.gz BBFSLVHCNFEWDQ-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001097176886 1362874780 /nfs/dbraw/zinc/87/47/80/1362874780.db2.gz BBFSLVHCNFEWDQ-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001097176886 1362874782 /nfs/dbraw/zinc/87/47/82/1362874782.db2.gz BBFSLVHCNFEWDQ-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1(C)CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC001324340011 1387599033 /nfs/dbraw/zinc/59/90/33/1387599033.db2.gz NXVHKZNOIIKJEO-UHFFFAOYSA-N 2 1 345.531 3.116 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCCC2)C1 ZINC001097852505 1363142435 /nfs/dbraw/zinc/14/24/35/1363142435.db2.gz BSUMVEXILYDOES-AFYVEPGGSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCCC2)C1 ZINC001097852505 1363142437 /nfs/dbraw/zinc/14/24/37/1363142437.db2.gz BSUMVEXILYDOES-AFYVEPGGSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCCC2)C1 ZINC001097852505 1363142441 /nfs/dbraw/zinc/14/24/41/1363142441.db2.gz BSUMVEXILYDOES-AFYVEPGGSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001099059316 1363600318 /nfs/dbraw/zinc/60/03/18/1363600318.db2.gz DFPLNVZKMAPLIW-BJLQDIEVSA-N 2 1 335.536 3.022 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC ZINC001099080160 1363611725 /nfs/dbraw/zinc/61/17/25/1363611725.db2.gz NFHPZZRHNFZRFH-JKSUJKDBSA-N 2 1 334.508 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099080160 1363611727 /nfs/dbraw/zinc/61/17/27/1363611727.db2.gz NFHPZZRHNFZRFH-JKSUJKDBSA-N 2 1 334.508 3.023 20 0 EGADMP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001099079735 1363612126 /nfs/dbraw/zinc/61/21/26/1363612126.db2.gz IHZBDBJCCBXEOB-IRXDYDNUSA-N 2 1 348.535 3.413 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001099079735 1363612127 /nfs/dbraw/zinc/61/21/27/1363612127.db2.gz IHZBDBJCCBXEOB-IRXDYDNUSA-N 2 1 348.535 3.413 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCC(C)(C)C)C3)CC1 ZINC001099093452 1363618299 /nfs/dbraw/zinc/61/82/99/1363618299.db2.gz FWZDYAKICVABNQ-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099106174 1363624776 /nfs/dbraw/zinc/62/47/76/1363624776.db2.gz CGSQJGDWPWCINQ-SJORKVTESA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099106173 1363624981 /nfs/dbraw/zinc/62/49/81/1363624981.db2.gz CGSQJGDWPWCINQ-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001099121575 1363636084 /nfs/dbraw/zinc/63/60/84/1363636084.db2.gz LTIWJGWXNFQHAW-PWBPZBFBSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001099121575 1363636087 /nfs/dbraw/zinc/63/60/87/1363636087.db2.gz LTIWJGWXNFQHAW-PWBPZBFBSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001099121575 1363636090 /nfs/dbraw/zinc/63/60/90/1363636090.db2.gz LTIWJGWXNFQHAW-PWBPZBFBSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001099121575 1363636093 /nfs/dbraw/zinc/63/60/93/1363636093.db2.gz LTIWJGWXNFQHAW-PWBPZBFBSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099215254 1363696387 /nfs/dbraw/zinc/69/63/87/1363696387.db2.gz RBGBIHVZCJSWRR-BLGFXRMMSA-N 2 1 337.552 3.291 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001099298969 1363737946 /nfs/dbraw/zinc/73/79/46/1363737946.db2.gz PKIOXYCWSBSJEA-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC(CC)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001099298969 1363737948 /nfs/dbraw/zinc/73/79/48/1363737948.db2.gz PKIOXYCWSBSJEA-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC(CC)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001099298969 1363737949 /nfs/dbraw/zinc/73/79/49/1363737949.db2.gz PKIOXYCWSBSJEA-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CCCC2)C1 ZINC001099311100 1363744985 /nfs/dbraw/zinc/74/49/85/1363744985.db2.gz XRBPONOGYXHHBH-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC2CCCC2)C1 ZINC001099311100 1363744988 /nfs/dbraw/zinc/74/49/88/1363744988.db2.gz XRBPONOGYXHHBH-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC2CCCC2)C1 ZINC001099311100 1363744992 /nfs/dbraw/zinc/74/49/92/1363744992.db2.gz XRBPONOGYXHHBH-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC(C)C ZINC001099319878 1363747909 /nfs/dbraw/zinc/74/79/09/1363747909.db2.gz DTCGBLJKMWJRST-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC(C)C ZINC001099319878 1363747911 /nfs/dbraw/zinc/74/79/11/1363747911.db2.gz DTCGBLJKMWJRST-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC(C)C ZINC001099319878 1363747912 /nfs/dbraw/zinc/74/79/12/1363747912.db2.gz DTCGBLJKMWJRST-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185224748 1387656232 /nfs/dbraw/zinc/65/62/32/1387656232.db2.gz HLYXQTIOEWVKHY-MSOLQXFVSA-N 2 1 348.535 3.271 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001100418612 1364108586 /nfs/dbraw/zinc/10/85/86/1364108586.db2.gz BXBPACVDJMIUCC-MHJFOBGBSA-N 2 1 349.563 3.316 20 0 EGADMP CC/C=C\CC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001100535986 1364150777 /nfs/dbraw/zinc/15/07/77/1364150777.db2.gz FBMOTHDWTCLOIS-PLNGDYQASA-N 2 1 349.563 3.482 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001100599443 1364183342 /nfs/dbraw/zinc/18/33/42/1364183342.db2.gz WQWFTQUAUSFKET-BCNJPBROSA-N 2 1 349.563 3.339 20 0 EGADMP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001100729401 1364238149 /nfs/dbraw/zinc/23/81/49/1364238149.db2.gz FCBFQSWVQCGDBO-ACBHZAAOSA-N 2 1 337.552 3.170 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101285126 1364499127 /nfs/dbraw/zinc/49/91/27/1364499127.db2.gz PVEYGRIBUKUNJO-XLIONFOSSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@]2(C)C1 ZINC001101285126 1364499128 /nfs/dbraw/zinc/49/91/28/1364499128.db2.gz PVEYGRIBUKUNJO-XLIONFOSSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101285126 1364499130 /nfs/dbraw/zinc/49/91/30/1364499130.db2.gz PVEYGRIBUKUNJO-XLIONFOSSA-N 2 1 337.552 3.077 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368707 1364530287 /nfs/dbraw/zinc/53/02/87/1364530287.db2.gz ISUCIPKSRHKINS-ONFKWDQZSA-N 2 1 349.563 3.101 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368707 1364530292 /nfs/dbraw/zinc/53/02/92/1364530292.db2.gz ISUCIPKSRHKINS-ONFKWDQZSA-N 2 1 349.563 3.101 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368707 1364530295 /nfs/dbraw/zinc/53/02/95/1364530295.db2.gz ISUCIPKSRHKINS-ONFKWDQZSA-N 2 1 349.563 3.101 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C(C)(C)C[NH2+]CC2CCC2)CC1 ZINC001101574101 1364628452 /nfs/dbraw/zinc/62/84/52/1364628452.db2.gz QZVHXSHSRRWRNI-QGZVFWFLSA-N 2 1 349.563 3.125 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001101984800 1364799716 /nfs/dbraw/zinc/79/97/16/1364799716.db2.gz MECNKYMOAZUEGZ-KZNAEPCWSA-N 2 1 346.519 3.047 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001101984800 1364799721 /nfs/dbraw/zinc/79/97/21/1364799721.db2.gz MECNKYMOAZUEGZ-KZNAEPCWSA-N 2 1 346.519 3.047 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001102114857 1364866633 /nfs/dbraw/zinc/86/66/33/1364866633.db2.gz HATZVBHWNQPGAJ-PFRNKHFKSA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC001102114857 1364866637 /nfs/dbraw/zinc/86/66/37/1364866637.db2.gz HATZVBHWNQPGAJ-PFRNKHFKSA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H](C)C1 ZINC001102114857 1364866638 /nfs/dbraw/zinc/86/66/38/1364866638.db2.gz HATZVBHWNQPGAJ-PFRNKHFKSA-N 2 1 349.563 3.147 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600216 1365131149 /nfs/dbraw/zinc/13/11/49/1365131149.db2.gz SVPAHMPRLDUVQT-MISYRCLQSA-N 2 1 345.531 3.162 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102600216 1365131150 /nfs/dbraw/zinc/13/11/50/1365131150.db2.gz SVPAHMPRLDUVQT-MISYRCLQSA-N 2 1 345.531 3.162 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102600216 1365131153 /nfs/dbraw/zinc/13/11/53/1365131153.db2.gz SVPAHMPRLDUVQT-MISYRCLQSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[C@@H]1C[NH+](CC2CCC2)C[C@H]1C ZINC001103086456 1365373681 /nfs/dbraw/zinc/37/36/81/1365373681.db2.gz DAQRFCJPZTWVBF-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NCC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001103086456 1365373685 /nfs/dbraw/zinc/37/36/85/1365373685.db2.gz DAQRFCJPZTWVBF-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NCC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001103086456 1365373689 /nfs/dbraw/zinc/37/36/89/1365373689.db2.gz DAQRFCJPZTWVBF-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001103171749 1365419855 /nfs/dbraw/zinc/41/98/55/1365419855.db2.gz SCGSVGKISGJUJS-NVXWUHKLSA-N 2 1 342.487 3.131 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103407472 1365542275 /nfs/dbraw/zinc/54/22/75/1365542275.db2.gz DUXJGRQBSIIJPF-OKMMTOMJSA-N 2 1 337.552 3.003 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001103435212 1365558140 /nfs/dbraw/zinc/55/81/40/1365558140.db2.gz VVRPVLQJYHDIMG-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001103435212 1365558143 /nfs/dbraw/zinc/55/81/43/1365558143.db2.gz VVRPVLQJYHDIMG-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001103435212 1365558147 /nfs/dbraw/zinc/55/81/47/1365558147.db2.gz VVRPVLQJYHDIMG-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001103612382 1365676140 /nfs/dbraw/zinc/67/61/40/1365676140.db2.gz AWHTZINSDWSUCL-IPMKNSEASA-N 2 1 339.568 3.085 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001103612382 1365676143 /nfs/dbraw/zinc/67/61/43/1365676143.db2.gz AWHTZINSDWSUCL-IPMKNSEASA-N 2 1 339.568 3.085 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001103612382 1365676144 /nfs/dbraw/zinc/67/61/44/1365676144.db2.gz AWHTZINSDWSUCL-IPMKNSEASA-N 2 1 339.568 3.085 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCC2)C1 ZINC001104290870 1365977548 /nfs/dbraw/zinc/97/75/48/1365977548.db2.gz GUMLUQZFMIOTJL-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001104294626 1365978198 /nfs/dbraw/zinc/97/81/98/1365978198.db2.gz UKXXGNFQNHVGOX-PWBPZBFBSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001104294625 1365978266 /nfs/dbraw/zinc/97/82/66/1365978266.db2.gz UKXXGNFQNHVGOX-LXORQPIJSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001105067161 1366304648 /nfs/dbraw/zinc/30/46/48/1366304648.db2.gz PRHWYRUVRSRQEV-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105572283 1366538590 /nfs/dbraw/zinc/53/85/90/1366538590.db2.gz NKJZVXOWXHCFAI-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001106151437 1366614754 /nfs/dbraw/zinc/61/47/54/1366614754.db2.gz RZLWVLASPDFRKT-DFPBPIFESA-N 2 1 349.563 3.147 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001107425975 1366960909 /nfs/dbraw/zinc/96/09/09/1366960909.db2.gz BBBVYIUUJJJNQQ-SFHLNBCPSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3CCC)CCC[C@@H]12 ZINC001107425975 1366960911 /nfs/dbraw/zinc/96/09/11/1366960911.db2.gz BBBVYIUUJJJNQQ-SFHLNBCPSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3CCC)CCC[C@@H]12 ZINC001107425975 1366960912 /nfs/dbraw/zinc/96/09/12/1366960912.db2.gz BBBVYIUUJJJNQQ-SFHLNBCPSA-N 2 1 349.563 3.412 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107439091 1366964001 /nfs/dbraw/zinc/96/40/01/1366964001.db2.gz RCYFMVYAPIKWDO-YDWSFWPNSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107439091 1366964002 /nfs/dbraw/zinc/96/40/02/1366964002.db2.gz RCYFMVYAPIKWDO-YDWSFWPNSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107439091 1366964003 /nfs/dbraw/zinc/96/40/03/1366964003.db2.gz RCYFMVYAPIKWDO-YDWSFWPNSA-N 2 1 347.547 3.188 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107450794 1366968548 /nfs/dbraw/zinc/96/85/48/1366968548.db2.gz NCBDRQXOIVZHNI-QWFCFKBJSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)C3CCCC3)CCC[C@@H]12 ZINC001107459401 1366971439 /nfs/dbraw/zinc/97/14/39/1366971439.db2.gz SAYVXHRRFAXARE-WIYYLYMNSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@H+](C)C3CCCC3)CCC[C@@H]12 ZINC001107459401 1366971441 /nfs/dbraw/zinc/97/14/41/1366971441.db2.gz SAYVXHRRFAXARE-WIYYLYMNSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@@H+](C)C3CCCC3)CCC[C@@H]12 ZINC001107459401 1366971444 /nfs/dbraw/zinc/97/14/44/1366971444.db2.gz SAYVXHRRFAXARE-WIYYLYMNSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107473195 1366978413 /nfs/dbraw/zinc/97/84/13/1366978413.db2.gz HIRYHRAZFPCXPQ-UYAOXDASSA-N 2 1 346.519 3.133 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107473195 1366978415 /nfs/dbraw/zinc/97/84/15/1366978415.db2.gz HIRYHRAZFPCXPQ-UYAOXDASSA-N 2 1 346.519 3.133 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521267 1367016131 /nfs/dbraw/zinc/01/61/31/1367016131.db2.gz UUYYEYKULDCUHC-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107530183 1367022702 /nfs/dbraw/zinc/02/27/02/1367022702.db2.gz KTPVLNLIIRXQBU-YDWSFWPNSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCCCC1)CC2 ZINC001107530614 1367022782 /nfs/dbraw/zinc/02/27/82/1367022782.db2.gz CEIUTYFZXMZCOC-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107646311 1367090805 /nfs/dbraw/zinc/09/08/05/1367090805.db2.gz GUQLMKCYGSXQOX-SFHLNBCPSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107646311 1367090809 /nfs/dbraw/zinc/09/08/09/1367090809.db2.gz GUQLMKCYGSXQOX-SFHLNBCPSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1)[NH+](C)C ZINC001109447549 1367126986 /nfs/dbraw/zinc/12/69/86/1367126986.db2.gz SOJKMZYORRGFDM-HCXYKTFWSA-N 2 1 335.536 3.019 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109520007 1367173413 /nfs/dbraw/zinc/17/34/13/1367173413.db2.gz DWJCFBXFBKRJKA-ZBHNHUSPSA-N 2 1 338.455 3.026 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565313 1367201668 /nfs/dbraw/zinc/20/16/68/1367201668.db2.gz JZSBKDAUNTUFGI-SQNIBIBYSA-N 2 1 335.536 3.019 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001109643633 1367260933 /nfs/dbraw/zinc/26/09/33/1367260933.db2.gz SCHVTNBJYOUOSE-QAUHLGHHSA-N 2 1 347.547 3.185 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001109643633 1367260941 /nfs/dbraw/zinc/26/09/41/1367260941.db2.gz SCHVTNBJYOUOSE-QAUHLGHHSA-N 2 1 347.547 3.185 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001109643633 1367260944 /nfs/dbraw/zinc/26/09/44/1367260944.db2.gz SCHVTNBJYOUOSE-QAUHLGHHSA-N 2 1 347.547 3.185 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCCC2)C1 ZINC001190483248 1367274586 /nfs/dbraw/zinc/27/45/86/1367274586.db2.gz QJLAWODXNZAGCI-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001190483248 1367274591 /nfs/dbraw/zinc/27/45/91/1367274591.db2.gz QJLAWODXNZAGCI-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001190483248 1367274597 /nfs/dbraw/zinc/27/45/97/1367274597.db2.gz QJLAWODXNZAGCI-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H](c1ccccc1Cl)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672423 1367274745 /nfs/dbraw/zinc/27/47/45/1367274745.db2.gz DVUZJMRSKZKEMV-DACLVMHWSA-N 2 1 349.906 3.074 20 0 EGADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1)[NH+](CC)CC ZINC001109714343 1367289599 /nfs/dbraw/zinc/28/95/99/1367289599.db2.gz HLFIOWPPYHNXRR-WCIQWLHISA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001190729471 1367337589 /nfs/dbraw/zinc/33/75/89/1367337589.db2.gz CTXKISNKBHRQCW-QGZVFWFLSA-N 2 1 339.524 3.191 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001190729471 1367337592 /nfs/dbraw/zinc/33/75/92/1367337592.db2.gz CTXKISNKBHRQCW-QGZVFWFLSA-N 2 1 339.524 3.191 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001109844820 1367354108 /nfs/dbraw/zinc/35/41/08/1367354108.db2.gz JPBZKQONKRKLBC-SQNIBIBYSA-N 2 1 346.519 3.129 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001109844820 1367354117 /nfs/dbraw/zinc/35/41/17/1367354117.db2.gz JPBZKQONKRKLBC-SQNIBIBYSA-N 2 1 346.519 3.129 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C)C(C)C ZINC001109859990 1367363786 /nfs/dbraw/zinc/36/37/86/1367363786.db2.gz FANSBDUDUFFZRX-XWSJACJDSA-N 2 1 335.536 3.041 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918371 1367403387 /nfs/dbraw/zinc/40/33/87/1367403387.db2.gz DQMSGNJQFUMFJZ-AABGKKOBSA-N 2 1 349.563 3.265 20 0 EGADMP C[N@@H+](CCCC1CCC1)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162118 1367436602 /nfs/dbraw/zinc/43/66/02/1367436602.db2.gz MIBCKCJGMIWWPM-GOSISDBHSA-N 2 1 340.471 3.061 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158924 1367531696 /nfs/dbraw/zinc/53/16/96/1367531696.db2.gz YYUGPAKFXGSIEM-FUMNGEBKSA-N 2 1 347.547 3.185 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CCC)C2 ZINC001108803679 1367606233 /nfs/dbraw/zinc/60/62/33/1367606233.db2.gz FVQZEIMZUCZSGX-HBCQFFLPSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH+](C)CC(CC)CC)C2)C1 ZINC001191921786 1367639719 /nfs/dbraw/zinc/63/97/19/1367639719.db2.gz FSOWKCNXAGCNBJ-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(CC)CC)C2)C1 ZINC001191921786 1367639723 /nfs/dbraw/zinc/63/97/23/1367639723.db2.gz FSOWKCNXAGCNBJ-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(CC)CC)C2)C1 ZINC001191921786 1367639730 /nfs/dbraw/zinc/63/97/30/1367639730.db2.gz FSOWKCNXAGCNBJ-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)c1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001192038410 1367672115 /nfs/dbraw/zinc/67/21/15/1367672115.db2.gz PVVLXUUMYBGFTL-FQEVSTJZSA-N 2 1 345.531 3.185 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)NCC(C)(C)C)CC1)CC(C)C ZINC001192491045 1367795670 /nfs/dbraw/zinc/79/56/70/1367795670.db2.gz YZYQJTGIOVIGAY-UHFFFAOYSA-N 2 1 339.568 3.229 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192655616 1367843470 /nfs/dbraw/zinc/84/34/70/1367843470.db2.gz NAQOUPPLWBXXMN-PKOBYXMFSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1)C1CC1 ZINC001110666917 1367906577 /nfs/dbraw/zinc/90/65/77/1367906577.db2.gz YMRNQJPNBNFURG-YSTOQKLRSA-N 2 1 347.547 3.019 20 0 EGADMP CC[C@@H]1C[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@@H]1O ZINC001193000311 1367920879 /nfs/dbraw/zinc/92/08/79/1367920879.db2.gz BOROACNQTYMHRC-RTWAWAEBSA-N 2 1 330.516 3.034 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1)[NH+](C)C ZINC001110714946 1367944163 /nfs/dbraw/zinc/94/41/63/1367944163.db2.gz LXGYQXGRZVNFII-MKXGPGLRSA-N 2 1 335.536 3.019 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110718740 1367947566 /nfs/dbraw/zinc/94/75/66/1367947566.db2.gz BFMREAUOYHLBDP-BDXSIMOUSA-N 2 1 335.536 3.019 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110718740 1367947568 /nfs/dbraw/zinc/94/75/68/1367947568.db2.gz BFMREAUOYHLBDP-BDXSIMOUSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001110718740 1367947572 /nfs/dbraw/zinc/94/75/72/1367947572.db2.gz BFMREAUOYHLBDP-BDXSIMOUSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001110718740 1367947574 /nfs/dbraw/zinc/94/75/74/1367947574.db2.gz BFMREAUOYHLBDP-BDXSIMOUSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001110748928 1367958708 /nfs/dbraw/zinc/95/87/08/1367958708.db2.gz YGKDYKLSELFESZ-QRVBRYPASA-N 2 1 347.547 3.327 20 0 EGADMP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110748928 1367958711 /nfs/dbraw/zinc/95/87/11/1367958711.db2.gz YGKDYKLSELFESZ-QRVBRYPASA-N 2 1 347.547 3.327 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110748928 1367958714 /nfs/dbraw/zinc/95/87/14/1367958714.db2.gz YGKDYKLSELFESZ-QRVBRYPASA-N 2 1 347.547 3.327 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193205732 1367965409 /nfs/dbraw/zinc/96/54/09/1367965409.db2.gz VOHUEULDQSZWCP-IBGZPJMESA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCC(C)(C)C)C2)CC1 ZINC001193205695 1367965687 /nfs/dbraw/zinc/96/56/87/1367965687.db2.gz USPBVXOCGOCDPF-SFHVURJKSA-N 2 1 337.552 3.076 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771433 1367972224 /nfs/dbraw/zinc/97/22/24/1367972224.db2.gz RQMVCWJWMMHDBE-QOPWDLMFSA-N 2 1 338.455 3.026 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@@H]([NH+](C)CC=C(C)C)C1)c1ccccc1 ZINC001193423865 1368026378 /nfs/dbraw/zinc/02/63/78/1368026378.db2.gz HDUVBRNMBWSPRU-UXHICEINSA-N 2 1 343.515 3.178 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC=C(C)C)C1)c1ccccc1 ZINC001193423865 1368026383 /nfs/dbraw/zinc/02/63/83/1368026383.db2.gz HDUVBRNMBWSPRU-UXHICEINSA-N 2 1 343.515 3.178 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC=C(C)C)C1)c1ccccc1 ZINC001193423865 1368026387 /nfs/dbraw/zinc/02/63/87/1368026387.db2.gz HDUVBRNMBWSPRU-UXHICEINSA-N 2 1 343.515 3.178 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862400 1368041459 /nfs/dbraw/zinc/04/14/59/1368041459.db2.gz NYMZQAYXPGUWNT-KURKYZTESA-N 2 1 335.536 3.163 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cc1C ZINC001193569339 1368063205 /nfs/dbraw/zinc/06/32/05/1368063205.db2.gz AYMUXJXYPZVJJC-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001193569400 1368063520 /nfs/dbraw/zinc/06/35/20/1368063520.db2.gz BMWFHWGKBJOTNU-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP COC(=O)[C@H]1CCCC[C@@H]1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC001193872442 1368135848 /nfs/dbraw/zinc/13/58/48/1368135848.db2.gz NPUVOHCAQZRFSX-AEFFLSMTSA-N 2 1 346.471 3.213 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1)[NH+](CC)CC ZINC001111018361 1368144275 /nfs/dbraw/zinc/14/42/75/1368144275.db2.gz RWJLQSSSRKAHNN-ZRNYENFQSA-N 2 1 347.547 3.329 20 0 EGADMP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001111101164 1368159204 /nfs/dbraw/zinc/15/92/04/1368159204.db2.gz NXJVGGLXCOQAHA-KURKYZTESA-N 2 1 346.519 3.308 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001111101164 1368159206 /nfs/dbraw/zinc/15/92/06/1368159206.db2.gz NXJVGGLXCOQAHA-KURKYZTESA-N 2 1 346.519 3.308 20 0 EGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Oc2ccc(Cl)cc2)CC1 ZINC001194035788 1368171119 /nfs/dbraw/zinc/17/11/19/1368171119.db2.gz KDFVZTQOMJNCRC-UHFFFAOYSA-N 2 1 346.818 3.098 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111180957 1368182487 /nfs/dbraw/zinc/18/24/87/1368182487.db2.gz WYEKZWVWLLQVRV-NMLBUPMWSA-N 2 1 349.563 3.122 20 0 EGADMP C[N@@H+](CC1CCCCCC1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228050 1368213055 /nfs/dbraw/zinc/21/30/55/1368213055.db2.gz PIZOKBNNQOUMKN-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001194265207 1368220019 /nfs/dbraw/zinc/22/00/19/1368220019.db2.gz BXQWWMNDZHKFMV-YZBXUTEPSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001194265207 1368220023 /nfs/dbraw/zinc/22/00/23/1368220023.db2.gz BXQWWMNDZHKFMV-YZBXUTEPSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001194265207 1368220029 /nfs/dbraw/zinc/22/00/29/1368220029.db2.gz BXQWWMNDZHKFMV-YZBXUTEPSA-N 2 1 335.536 3.140 20 0 EGADMP C[N@@H+](CCCC1CCC1)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194430068 1368260129 /nfs/dbraw/zinc/26/01/29/1368260129.db2.gz RJFAENPALMGJEZ-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001111307698 1368262422 /nfs/dbraw/zinc/26/24/22/1368262422.db2.gz RTIRUYVXDPOZED-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001111307698 1368262429 /nfs/dbraw/zinc/26/24/29/1368262429.db2.gz RTIRUYVXDPOZED-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001111307698 1368262431 /nfs/dbraw/zinc/26/24/31/1368262431.db2.gz RTIRUYVXDPOZED-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454064 1368309546 /nfs/dbraw/zinc/30/95/46/1368309546.db2.gz JJYBUVXKALAORA-KURKYZTESA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454212 1368310054 /nfs/dbraw/zinc/31/00/54/1368310054.db2.gz QDDJLUSQTDLOMO-QRVBRYPASA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1)[NH+]1CCCCC1 ZINC001111467780 1368312736 /nfs/dbraw/zinc/31/27/36/1368312736.db2.gz VRDHSFBKZADOLB-ZRNYENFQSA-N 2 1 347.547 3.019 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001186421111 1387938933 /nfs/dbraw/zinc/93/89/33/1387938933.db2.gz ZOSANDUUNZOGPJ-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCC(C)(C)C)C2 ZINC001111782262 1368459599 /nfs/dbraw/zinc/45/95/99/1368459599.db2.gz BAONNYDFFOTPNI-WFXMLNOXSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC(C)(C)C)C2 ZINC001111782262 1368459601 /nfs/dbraw/zinc/45/96/01/1368459601.db2.gz BAONNYDFFOTPNI-WFXMLNOXSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC(C)(C)C)C2 ZINC001111782262 1368459604 /nfs/dbraw/zinc/45/96/04/1368459604.db2.gz BAONNYDFFOTPNI-WFXMLNOXSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(C)C)C2 ZINC001111903739 1368546724 /nfs/dbraw/zinc/54/67/24/1368546724.db2.gz NGDMAFORBYXURM-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(C)C)C2 ZINC001111903739 1368546728 /nfs/dbraw/zinc/54/67/28/1368546728.db2.gz NGDMAFORBYXURM-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(C)C)C2 ZINC001111903739 1368546732 /nfs/dbraw/zinc/54/67/32/1368546732.db2.gz NGDMAFORBYXURM-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001196163470 1368560375 /nfs/dbraw/zinc/56/03/75/1368560375.db2.gz OTBDRRBEPBZWSC-ZMBJWTFHSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C/CC[NH+]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001196163470 1368560378 /nfs/dbraw/zinc/56/03/78/1368560378.db2.gz OTBDRRBEPBZWSC-ZMBJWTFHSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C/CC[NH+]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001196163470 1368560383 /nfs/dbraw/zinc/56/03/83/1368560383.db2.gz OTBDRRBEPBZWSC-ZMBJWTFHSA-N 2 1 335.536 3.140 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCC(C)CC1)C2 ZINC001111952496 1368572398 /nfs/dbraw/zinc/57/23/98/1368572398.db2.gz KEODRSDHRBOXBH-XSNSTOHYSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCC(C)CC1)C2 ZINC001111952496 1368572402 /nfs/dbraw/zinc/57/24/02/1368572402.db2.gz KEODRSDHRBOXBH-XSNSTOHYSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCC(C)CC1)C2 ZINC001111952496 1368572405 /nfs/dbraw/zinc/57/24/05/1368572405.db2.gz KEODRSDHRBOXBH-XSNSTOHYSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004815 1368608436 /nfs/dbraw/zinc/60/84/36/1368608436.db2.gz MATOVOOWXYAFDF-ICSRJNTNSA-N 2 1 335.536 3.023 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112018085 1368621055 /nfs/dbraw/zinc/62/10/55/1368621055.db2.gz ZZOJQCAWPMNDTD-DYXWJJEUSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC(CC(=O)N2CCC[N@@H+](CCCC(C)(C)C)CC2)CC1 ZINC001197331405 1368789032 /nfs/dbraw/zinc/78/90/32/1368789032.db2.gz LLOUOFUKJRUFLQ-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001112401470 1368825621 /nfs/dbraw/zinc/82/56/21/1368825621.db2.gz GLIHJCFPPYUKOH-WLMOVXJDSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)(C)C)C1 ZINC001112431615 1368847544 /nfs/dbraw/zinc/84/75/44/1368847544.db2.gz MGSIBUDPOQOIPN-WFXMLNOXSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197809753 1368903818 /nfs/dbraw/zinc/90/38/18/1368903818.db2.gz IFYSTIRKEJAXIK-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP CCCC[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197809753 1368903820 /nfs/dbraw/zinc/90/38/20/1368903820.db2.gz IFYSTIRKEJAXIK-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP CCCC[NH+]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001197809753 1368903821 /nfs/dbraw/zinc/90/38/21/1368903821.db2.gz IFYSTIRKEJAXIK-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP CCCC[NH+]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001197809753 1368903822 /nfs/dbraw/zinc/90/38/22/1368903822.db2.gz IFYSTIRKEJAXIK-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CCCN(C(=O)CCCC[NH+](C)C)CC2)c1 ZINC001197879646 1368918283 /nfs/dbraw/zinc/91/82/83/1368918283.db2.gz KUEUACFXYXWGJX-IBGZPJMESA-N 2 1 345.531 3.322 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC001197922019 1368924079 /nfs/dbraw/zinc/92/40/79/1368924079.db2.gz HTCAGYXZHIKTRW-IBGZPJMESA-N 2 1 349.494 3.153 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[N@@H+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC001197922019 1368924083 /nfs/dbraw/zinc/92/40/83/1368924083.db2.gz HTCAGYXZHIKTRW-IBGZPJMESA-N 2 1 349.494 3.153 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CCCC2)C1 ZINC001112557532 1368927228 /nfs/dbraw/zinc/92/72/28/1368927228.db2.gz LIBBDTFJLGNYJK-FPOVZHCZSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[NH+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001198259073 1368991966 /nfs/dbraw/zinc/99/19/66/1368991966.db2.gz KKNXHLYNQDJDCT-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[N@H+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001198259073 1368991969 /nfs/dbraw/zinc/99/19/69/1368991969.db2.gz KKNXHLYNQDJDCT-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[N@@H+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001198259073 1368991971 /nfs/dbraw/zinc/99/19/71/1368991971.db2.gz KKNXHLYNQDJDCT-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001113033061 1369154428 /nfs/dbraw/zinc/15/44/28/1369154428.db2.gz XMAQSUZVMVITHB-SFHVURJKSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001113033061 1369154432 /nfs/dbraw/zinc/15/44/32/1369154432.db2.gz XMAQSUZVMVITHB-SFHVURJKSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[NH+](CC)CC ZINC001113341400 1369359049 /nfs/dbraw/zinc/35/90/49/1369359049.db2.gz WBYQWWXUMXIJAF-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](CC(CC)CC)CC1 ZINC001113439468 1369429720 /nfs/dbraw/zinc/42/97/20/1369429720.db2.gz BDBJUWRHPVOCLY-UHFFFAOYSA-N 2 1 325.541 3.079 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(OC(F)F)c1 ZINC001200811528 1369432290 /nfs/dbraw/zinc/43/22/90/1369432290.db2.gz FKURQVYKOSVKRX-KBPBESRZSA-N 2 1 328.403 3.259 20 0 EGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC001200813139 1369433037 /nfs/dbraw/zinc/43/30/37/1369433037.db2.gz VCOUEBNYFFZJJT-CABCVRRESA-N 2 1 338.879 3.464 20 0 EGADMP CC/C=C/CC[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001201044076 1369470888 /nfs/dbraw/zinc/47/08/88/1369470888.db2.gz PBDWKLKYNFYKMB-ZMBJWTFHSA-N 2 1 335.536 3.186 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001201230443 1369499829 /nfs/dbraw/zinc/49/98/29/1369499829.db2.gz RHZGZZXIYSKGRI-UHDDOPSISA-N 2 1 347.547 3.330 20 0 EGADMP CCC(CC)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001201230955 1369501200 /nfs/dbraw/zinc/50/12/00/1369501200.db2.gz YOCGFJQDKZQBQN-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001201503388 1369558677 /nfs/dbraw/zinc/55/86/77/1369558677.db2.gz PDKQQXZTIVQJMM-WMQCIHAUSA-N 2 1 334.548 3.493 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201503388 1369558684 /nfs/dbraw/zinc/55/86/84/1369558684.db2.gz PDKQQXZTIVQJMM-WMQCIHAUSA-N 2 1 334.548 3.493 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201503388 1369558695 /nfs/dbraw/zinc/55/86/95/1369558695.db2.gz PDKQQXZTIVQJMM-WMQCIHAUSA-N 2 1 334.548 3.493 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001201510152 1369561427 /nfs/dbraw/zinc/56/14/27/1369561427.db2.gz YMWRHAOINPCPAH-GOSISDBHSA-N 2 1 331.504 3.042 20 0 EGADMP CCC[C@@H](C)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001201543156 1369568825 /nfs/dbraw/zinc/56/88/25/1369568825.db2.gz CAPWBSKGIVJCGH-ZRNYENFQSA-N 2 1 332.536 3.493 20 0 EGADMP CCC[C@@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001201543156 1369568830 /nfs/dbraw/zinc/56/88/30/1369568830.db2.gz CAPWBSKGIVJCGH-ZRNYENFQSA-N 2 1 332.536 3.493 20 0 EGADMP CCC[C@@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001201543156 1369568834 /nfs/dbraw/zinc/56/88/34/1369568834.db2.gz CAPWBSKGIVJCGH-ZRNYENFQSA-N 2 1 332.536 3.493 20 0 EGADMP CCC[C@@H](C)C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001201550275 1369573413 /nfs/dbraw/zinc/57/34/13/1369573413.db2.gz HXAPDIGHFATMNA-LJQANCHMSA-N 2 1 345.531 3.432 20 0 EGADMP CC(C)CC[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001201620380 1369592261 /nfs/dbraw/zinc/59/22/61/1369592261.db2.gz MJAGSJFYUNRLKJ-UHFFFAOYSA-N 2 1 331.504 3.042 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([NH2+]CCCC(C)C)CC2)C1 ZINC001202145313 1369701247 /nfs/dbraw/zinc/70/12/47/1369701247.db2.gz YWRAQVNHGMVUHP-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001202518454 1369797397 /nfs/dbraw/zinc/79/73/97/1369797397.db2.gz UYJFGXKIUXMDAY-VOTSOKGWSA-N 2 1 335.536 3.045 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001202946905 1369933887 /nfs/dbraw/zinc/93/38/87/1369933887.db2.gz DBVCGZFRJSBJDR-UHFFFAOYSA-N 2 1 344.503 3.053 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1[C@H]2C[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001114403243 1369933966 /nfs/dbraw/zinc/93/39/66/1369933966.db2.gz PFSCBBPSSIFNKX-PNYFIKQUSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114403243 1369933971 /nfs/dbraw/zinc/93/39/71/1369933971.db2.gz PFSCBBPSSIFNKX-PNYFIKQUSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114403243 1369933974 /nfs/dbraw/zinc/93/39/74/1369933974.db2.gz PFSCBBPSSIFNKX-PNYFIKQUSA-N 2 1 349.563 3.122 20 0 EGADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cn[nH]c3)C[C@@H]21 ZINC001203091100 1369979763 /nfs/dbraw/zinc/97/97/63/1369979763.db2.gz UTOZKDLCWKOWEQ-RYQLBKOJSA-N 2 1 330.501 3.204 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cn[nH]c3)C[C@@H]21 ZINC001203091100 1369979765 /nfs/dbraw/zinc/97/97/65/1369979765.db2.gz UTOZKDLCWKOWEQ-RYQLBKOJSA-N 2 1 330.501 3.204 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@@H]21 ZINC001203091100 1369979768 /nfs/dbraw/zinc/97/97/68/1369979768.db2.gz UTOZKDLCWKOWEQ-RYQLBKOJSA-N 2 1 330.501 3.204 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@@H]21 ZINC001203091100 1369979770 /nfs/dbraw/zinc/97/97/70/1369979770.db2.gz UTOZKDLCWKOWEQ-RYQLBKOJSA-N 2 1 330.501 3.204 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203104683 1369984763 /nfs/dbraw/zinc/98/47/63/1369984763.db2.gz SOSLGHIGSJBPMF-UIVAWZFMSA-N 2 1 349.563 3.480 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4cccc5nonc54)C[C@H]3C2)cc1 ZINC001203140791 1369996555 /nfs/dbraw/zinc/99/65/55/1369996555.db2.gz SRTIWFORKAEUSP-MJGOQNOKSA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4cccc5nonc54)C[C@H]3C2)cc1 ZINC001203140791 1369996557 /nfs/dbraw/zinc/99/65/57/1369996557.db2.gz SRTIWFORKAEUSP-MJGOQNOKSA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4cccc5nonc54)C[C@H]3C2)cc1 ZINC001203140791 1369996565 /nfs/dbraw/zinc/99/65/65/1369996565.db2.gz SRTIWFORKAEUSP-MJGOQNOKSA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cccc5nonc54)C[C@H]3C2)cc1 ZINC001203140791 1369996574 /nfs/dbraw/zinc/99/65/74/1369996574.db2.gz SRTIWFORKAEUSP-MJGOQNOKSA-N 2 1 348.450 3.177 20 0 EGADMP CCCC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001203312188 1370077367 /nfs/dbraw/zinc/07/73/67/1370077367.db2.gz ALAVUILSDPDDRJ-IBGZPJMESA-N 2 1 331.504 3.060 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203420930 1370118924 /nfs/dbraw/zinc/11/89/24/1370118924.db2.gz XZOLUBJKAUDUKH-OSFIAYCASA-N 2 1 347.547 3.092 20 0 EGADMP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203494049 1370144957 /nfs/dbraw/zinc/14/49/57/1370144957.db2.gz YVJQBOQACIYQRO-ZWKOTPCHSA-N 2 1 346.519 3.179 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001114921337 1370150193 /nfs/dbraw/zinc/15/01/93/1370150193.db2.gz KXQYEPGIUQQKAV-RUNITULMSA-N 2 1 347.547 3.042 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2C(NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001114921337 1370150197 /nfs/dbraw/zinc/15/01/97/1370150197.db2.gz KXQYEPGIUQQKAV-RUNITULMSA-N 2 1 347.547 3.042 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2C(NC(=O)[C@@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001114921337 1370150199 /nfs/dbraw/zinc/15/01/99/1370150199.db2.gz KXQYEPGIUQQKAV-RUNITULMSA-N 2 1 347.547 3.042 20 0 EGADMP CCOc1ccccc1CN1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001203537488 1370159811 /nfs/dbraw/zinc/15/98/11/1370159811.db2.gz VXAWOLGPVRENLW-WOJBJXKFSA-N 2 1 337.467 3.044 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203578164 1370177327 /nfs/dbraw/zinc/17/73/27/1370177327.db2.gz ULWMLONBWOOWDX-MOPGFXCFSA-N 2 1 349.563 3.316 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203651920 1370201975 /nfs/dbraw/zinc/20/19/75/1370201975.db2.gz QPDKEWJUZOIPOC-YQJUVHNHSA-N 2 1 335.536 3.092 20 0 EGADMP Fc1ccc(C[N@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203914766 1370312619 /nfs/dbraw/zinc/31/26/19/1370312619.db2.gz PKKWCLMXTSEJOB-MOPGFXCFSA-N 2 1 325.431 3.175 20 0 EGADMP Fc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203914766 1370312628 /nfs/dbraw/zinc/31/26/28/1370312628.db2.gz PKKWCLMXTSEJOB-MOPGFXCFSA-N 2 1 325.431 3.175 20 0 EGADMP Fc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203914766 1370312630 /nfs/dbraw/zinc/31/26/30/1370312630.db2.gz PKKWCLMXTSEJOB-MOPGFXCFSA-N 2 1 325.431 3.175 20 0 EGADMP Fc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203914766 1370312652 /nfs/dbraw/zinc/31/26/52/1370312652.db2.gz PKKWCLMXTSEJOB-MOPGFXCFSA-N 2 1 325.431 3.175 20 0 EGADMP Fc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203914766 1370312657 /nfs/dbraw/zinc/31/26/57/1370312657.db2.gz PKKWCLMXTSEJOB-MOPGFXCFSA-N 2 1 325.431 3.175 20 0 EGADMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001203919991 1370314493 /nfs/dbraw/zinc/31/44/93/1370314493.db2.gz TYPTZTFHNUYONQ-MSOLQXFVSA-N 2 1 344.890 3.027 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001203919991 1370314500 /nfs/dbraw/zinc/31/45/00/1370314500.db2.gz TYPTZTFHNUYONQ-MSOLQXFVSA-N 2 1 344.890 3.027 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001203919991 1370314505 /nfs/dbraw/zinc/31/45/05/1370314505.db2.gz TYPTZTFHNUYONQ-MSOLQXFVSA-N 2 1 344.890 3.027 20 0 EGADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001203919991 1370314510 /nfs/dbraw/zinc/31/45/10/1370314510.db2.gz TYPTZTFHNUYONQ-MSOLQXFVSA-N 2 1 344.890 3.027 20 0 EGADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001203919991 1370314516 /nfs/dbraw/zinc/31/45/16/1370314516.db2.gz TYPTZTFHNUYONQ-MSOLQXFVSA-N 2 1 344.890 3.027 20 0 EGADMP Cc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001204068097 1370366055 /nfs/dbraw/zinc/36/60/55/1370366055.db2.gz FSKXTRWLAMIMCP-UHFFFAOYSA-N 2 1 336.483 3.273 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CCC[C@@]1(C)O ZINC001204263100 1370425423 /nfs/dbraw/zinc/42/54/23/1370425423.db2.gz GOOUIUONOWEHOX-YLJYHZDGSA-N 2 1 334.504 3.000 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(C(C)(C)C)cc1 ZINC001204397404 1370466137 /nfs/dbraw/zinc/46/61/37/1370466137.db2.gz LKSJLDHOQYEQAJ-VQTJNVASSA-N 2 1 329.532 3.194 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCCC1 ZINC001115563355 1370562596 /nfs/dbraw/zinc/56/25/96/1370562596.db2.gz SDADRDMQWROZID-IAGOWNOFSA-N 2 1 341.515 3.018 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCCC1 ZINC001115563358 1370562793 /nfs/dbraw/zinc/56/27/93/1370562793.db2.gz SDADRDMQWROZID-SJORKVTESA-N 2 1 341.515 3.018 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001115579283 1370582861 /nfs/dbraw/zinc/58/28/61/1370582861.db2.gz GKHKZXJTQDJULR-VDTUPGDHSA-N 2 1 341.927 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115598152 1370597954 /nfs/dbraw/zinc/59/79/54/1370597954.db2.gz JGOROPZFFRGEKC-KRWDZBQOSA-N 2 1 337.552 3.316 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(OC)ncc2-c2ccccc2)C1 ZINC001205015383 1370628916 /nfs/dbraw/zinc/62/89/16/1370628916.db2.gz CJXSUQDEDMAUEF-MRXNPFEDSA-N 2 1 325.456 3.189 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(OC)ncc2-c2ccccc2)C1 ZINC001205015383 1370628921 /nfs/dbraw/zinc/62/89/21/1370628921.db2.gz CJXSUQDEDMAUEF-MRXNPFEDSA-N 2 1 325.456 3.189 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)C1 ZINC001205018032 1370629856 /nfs/dbraw/zinc/62/98/56/1370629856.db2.gz QHVPVKHAGBEWKF-CQSZACIVSA-N 2 1 331.410 3.458 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)C1 ZINC001205018032 1370629860 /nfs/dbraw/zinc/62/98/60/1370629860.db2.gz QHVPVKHAGBEWKF-CQSZACIVSA-N 2 1 331.410 3.458 20 0 EGADMP [NH3+][C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC001205124336 1370658159 /nfs/dbraw/zinc/65/81/59/1370658159.db2.gz OLCGKFBJYHEAJO-HNNXBMFYSA-N 2 1 338.377 3.409 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc3nc(Br)sc3c2)C[C@H]1C[NH3+] ZINC001205156488 1370665747 /nfs/dbraw/zinc/66/57/47/1370665747.db2.gz XRMMBUSUKFRVFY-GXSJLCMTSA-N 2 1 340.290 3.085 20 0 EGADMP CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCCCC1 ZINC001115689350 1370671820 /nfs/dbraw/zinc/67/18/20/1370671820.db2.gz DDWAFIREQXTQQK-GOSISDBHSA-N 2 1 335.536 3.212 20 0 EGADMP CC(C)(C[N@H+]1CCC[C@@](O)(C[NH3+])CC1)Sc1ccc(Cl)cc1 ZINC001205210502 1370682514 /nfs/dbraw/zinc/68/25/14/1370682514.db2.gz OYNKLYVMSYRJDA-KRWDZBQOSA-N 2 1 342.936 3.386 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC001205230694 1370688646 /nfs/dbraw/zinc/68/86/46/1370688646.db2.gz UBOCLMMONSYQKY-AWEZNQCLSA-N 2 1 336.785 3.035 20 0 EGADMP CCOC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273219 1370702900 /nfs/dbraw/zinc/70/29/00/1370702900.db2.gz ICHKJFCWGBRULO-LJQANCHMSA-N 2 1 329.444 3.048 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205288518 1370708395 /nfs/dbraw/zinc/70/83/95/1370708395.db2.gz KTFVQVULAPPACJ-FQEVSTJZSA-N 2 1 343.471 3.356 20 0 EGADMP CCC/C=C\CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115729424 1370711072 /nfs/dbraw/zinc/71/10/72/1370711072.db2.gz FMLXBRQMSLZNGO-VOFKWLDRSA-N 2 1 349.563 3.483 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CC3CC(C)(C)C3)CCCCC2)C1 ZINC001115729524 1370711206 /nfs/dbraw/zinc/71/12/06/1370711206.db2.gz JFWYWHQHFIDRTL-QGZVFWFLSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115730483 1370713235 /nfs/dbraw/zinc/71/32/35/1370713235.db2.gz LAURHRBNWBEJLF-QZTJIDSGSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115730874 1370713760 /nfs/dbraw/zinc/71/37/60/1370713760.db2.gz SVKXLVGCENBAMA-HKUYNNGSSA-N 2 1 347.547 3.093 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115730896 1370713881 /nfs/dbraw/zinc/71/38/81/1370713881.db2.gz UEXXENJCFMMBGH-IAGOWNOFSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)(C)OC(=O)C[N@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC001205318512 1370719949 /nfs/dbraw/zinc/71/99/49/1370719949.db2.gz VMIGXUHUMKWEDH-UHFFFAOYSA-N 2 1 332.488 3.220 20 0 EGADMP CC(C)(C)OC(=O)C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC001205318512 1370719953 /nfs/dbraw/zinc/71/99/53/1370719953.db2.gz VMIGXUHUMKWEDH-UHFFFAOYSA-N 2 1 332.488 3.220 20 0 EGADMP Cc1cc(Br)cc(C)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205317688 1370720114 /nfs/dbraw/zinc/72/01/14/1370720114.db2.gz PNDQOCPOIYHVII-BXUZGUMPSA-N 2 1 325.294 3.483 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC(C[NH2+]CC=C(C)C)CC1 ZINC001205340444 1370727007 /nfs/dbraw/zinc/72/70/07/1370727007.db2.gz ZYLKKTXUABUJCH-KRWDZBQOSA-N 2 1 346.519 3.191 20 0 EGADMP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001115769144 1370753256 /nfs/dbraw/zinc/75/32/56/1370753256.db2.gz XRWKTIUSJIVIJW-RBUKOAKNSA-N 2 1 347.547 3.212 20 0 EGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001205462175 1370763247 /nfs/dbraw/zinc/76/32/47/1370763247.db2.gz UOXXLDRZNLSNOS-HXUWFJFHSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001205483599 1370769484 /nfs/dbraw/zinc/76/94/84/1370769484.db2.gz JQOWAXHFNNGULZ-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)CC[C@@H]1C[NH3+] ZINC001205618018 1370812382 /nfs/dbraw/zinc/81/23/82/1370812382.db2.gz QPYUJABIFBZHES-DOTOQJQBSA-N 2 1 326.444 3.076 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(OC)cc1Cl ZINC001205638625 1370823077 /nfs/dbraw/zinc/82/30/77/1370823077.db2.gz QDIDOCULARNJFC-OLZOCXBDSA-N 2 1 326.868 3.164 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC[C@H]1C[NH3+] ZINC001205653277 1370828743 /nfs/dbraw/zinc/82/87/43/1370828743.db2.gz SKIFXXRGRAMDLT-GJZGRUSLSA-N 2 1 332.879 3.333 20 0 EGADMP CCOC(=O)c1ccc2c(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)c[nH]c2c1 ZINC001205652665 1370828872 /nfs/dbraw/zinc/82/88/72/1370828872.db2.gz QNBKIGQQUUMRDN-GDBMZVCRSA-N 2 1 343.471 3.151 20 0 EGADMP COc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1Br ZINC001205654966 1370831195 /nfs/dbraw/zinc/83/11/95/1370831195.db2.gz YSAUETFCUINACN-CHWSQXEVSA-N 2 1 341.293 3.265 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C1 ZINC001205664146 1370835020 /nfs/dbraw/zinc/83/50/20/1370835020.db2.gz MPPQPSQCJIBXGE-INIZCTEOSA-N 2 1 331.287 3.102 20 0 EGADMP COc1ccc(-c2ccc(C[N@H+]3CCCC[C@](O)(C[NH3+])C3)s2)cc1 ZINC001205682305 1370841304 /nfs/dbraw/zinc/84/13/04/1370841304.db2.gz RSMUUYGAYOKBQD-IBGZPJMESA-N 2 1 346.496 3.099 20 0 EGADMP Cc1cc(Oc2ccccc2)ccc1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205726244 1370853566 /nfs/dbraw/zinc/85/35/66/1370853566.db2.gz RRESHKLKSVKFMW-NRFANRHFSA-N 2 1 340.467 3.463 20 0 EGADMP CCOc1c(F)c(F)ccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001205804949 1370876567 /nfs/dbraw/zinc/87/65/67/1370876567.db2.gz ODUJQERIAFHFIZ-UHFFFAOYSA-N 2 1 329.350 3.365 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1c[nH]c2cccc(Br)c12 ZINC001205901722 1370904863 /nfs/dbraw/zinc/90/48/63/1370904863.db2.gz FNQPZGZRKUMAKF-RYUDHWBXSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2cccc(Br)c12 ZINC001205901722 1370904864 /nfs/dbraw/zinc/90/48/64/1370904864.db2.gz FNQPZGZRKUMAKF-RYUDHWBXSA-N 2 1 336.277 3.490 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c2c(OC)cccc12 ZINC001205901038 1370905237 /nfs/dbraw/zinc/90/52/37/1370905237.db2.gz ATWZIJJCZNBBBV-GJZGRUSLSA-N 2 1 328.456 3.416 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001205917444 1370910108 /nfs/dbraw/zinc/91/01/08/1370910108.db2.gz YPZDVCRCVKCXHN-YPMHNXCESA-N 2 1 334.357 3.483 20 0 EGADMP Cc1c(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001116530110 1370930751 /nfs/dbraw/zinc/93/07/51/1370930751.db2.gz DFXFGWFXJJRMMU-MAUKXSAKSA-N 2 1 348.450 3.036 20 0 EGADMP C[C@H]1C[N@H+](Cc2nc(Cl)ccc2Br)CCC[C@H]1C[NH3+] ZINC001206013191 1370938400 /nfs/dbraw/zinc/93/84/00/1370938400.db2.gz QAUQKGGEXZYQTH-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2nc(Cl)ccc2Br)CCC[C@H]1C[NH3+] ZINC001206013191 1370938403 /nfs/dbraw/zinc/93/84/03/1370938403.db2.gz QAUQKGGEXZYQTH-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2csc(-c3ccc(O)cc3)n2)CCC[C@H]1C[NH3+] ZINC001206024587 1370942245 /nfs/dbraw/zinc/94/22/45/1370942245.db2.gz KJJLKZPXDSOVKA-HIFRSBDPSA-N 2 1 331.485 3.323 20 0 EGADMP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001206031212 1370944295 /nfs/dbraw/zinc/94/42/95/1370944295.db2.gz QAIVPKWGFRXGCB-GGVAOPBYSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccnc2OCc2ccccc2)CCC[C@H]1C[NH3+] ZINC001206036044 1370944718 /nfs/dbraw/zinc/94/47/18/1370944718.db2.gz FSQALNJAKZUBBX-HKUYNNGSSA-N 2 1 339.483 3.467 20 0 EGADMP Cc1nc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)co1 ZINC001206093039 1370958705 /nfs/dbraw/zinc/95/87/05/1370958705.db2.gz KECUWWINHCVSEU-RTBURBONSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1nc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)co1 ZINC001206093039 1370958708 /nfs/dbraw/zinc/95/87/08/1370958708.db2.gz KECUWWINHCVSEU-RTBURBONSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1nc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)co1 ZINC001206093039 1370958711 /nfs/dbraw/zinc/95/87/11/1370958711.db2.gz KECUWWINHCVSEU-RTBURBONSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1nc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)co1 ZINC001206093039 1370958715 /nfs/dbraw/zinc/95/87/15/1370958715.db2.gz KECUWWINHCVSEU-RTBURBONSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1nc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)co1 ZINC001206093039 1370958718 /nfs/dbraw/zinc/95/87/18/1370958718.db2.gz KECUWWINHCVSEU-RTBURBONSA-N 2 1 325.456 3.327 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C[C@H]1C ZINC001206110311 1370962078 /nfs/dbraw/zinc/96/20/78/1370962078.db2.gz SUIUJVCXYKLJKP-JKSUJKDBSA-N 2 1 341.503 3.064 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@@H]1F ZINC001206167064 1370978344 /nfs/dbraw/zinc/97/83/44/1370978344.db2.gz WSPOJRVNUNLNRN-ZWKOTPCHSA-N 2 1 338.430 3.287 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@@H]1F ZINC001206167064 1370978349 /nfs/dbraw/zinc/97/83/49/1370978349.db2.gz WSPOJRVNUNLNRN-ZWKOTPCHSA-N 2 1 338.430 3.287 20 0 EGADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc3cc(Br)cnc3c2)C1 ZINC001206276299 1371010344 /nfs/dbraw/zinc/01/03/44/1371010344.db2.gz DVDLCXIHBGQXNE-GFCCVEGCSA-N 2 1 334.261 3.039 20 0 EGADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc3cc(Br)cnc3c2)C1 ZINC001206276299 1371010348 /nfs/dbraw/zinc/01/03/48/1371010348.db2.gz DVDLCXIHBGQXNE-GFCCVEGCSA-N 2 1 334.261 3.039 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCc2ccc(Br)cc2)CC1 ZINC001206296178 1371014216 /nfs/dbraw/zinc/01/42/16/1371014216.db2.gz QFAHPBBXJDMRPU-INIZCTEOSA-N 2 1 325.294 3.443 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccnc(Br)c2Cl)CC1 ZINC001206326835 1371023929 /nfs/dbraw/zinc/02/39/29/1371023929.db2.gz PNVSWRULEWVJMO-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccnc(Br)c2Cl)CC1 ZINC001206326835 1371023934 /nfs/dbraw/zinc/02/39/34/1371023934.db2.gz PNVSWRULEWVJMO-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP COc1ccc(Br)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206303761 1371015668 /nfs/dbraw/zinc/01/56/68/1371015668.db2.gz GJOGUJQVZKJYEZ-MRXNPFEDSA-N 2 1 341.293 3.409 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-n3cccn3)cc2Cl)CC1 ZINC001206318236 1371019880 /nfs/dbraw/zinc/01/98/80/1371019880.db2.gz OFIYHLLKWHJPCT-SFHVURJKSA-N 2 1 332.879 3.477 20 0 EGADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(Cl)c1 ZINC001206317222 1371019921 /nfs/dbraw/zinc/01/99/21/1371019921.db2.gz DCLBIMCRCNALLT-GOSISDBHSA-N 2 1 338.879 3.468 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1OCC1CC1 ZINC001206556279 1371092250 /nfs/dbraw/zinc/09/22/50/1371092250.db2.gz QDXSQWAPSMOANV-HXUWFJFHSA-N 2 1 332.488 3.435 20 0 EGADMP CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206564981 1371095226 /nfs/dbraw/zinc/09/52/26/1371095226.db2.gz SCUBMPVLQSUFDO-SFHVURJKSA-N 2 1 338.879 3.468 20 0 EGADMP CCOC(=O)c1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206564981 1371095231 /nfs/dbraw/zinc/09/52/31/1371095231.db2.gz SCUBMPVLQSUFDO-SFHVURJKSA-N 2 1 338.879 3.468 20 0 EGADMP COC(=O)c1cccc2c(C[N@@H+](C(C)C)[C@H]3CCC[NH2+]CC3)c[nH]c21 ZINC001206599560 1371105114 /nfs/dbraw/zinc/10/51/14/1371105114.db2.gz UZGCBUVCSKJDNW-INIZCTEOSA-N 2 1 343.471 3.307 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2nccnc2-c2ccc(Cl)cc2)C1 ZINC001206622517 1371111443 /nfs/dbraw/zinc/11/14/43/1371111443.db2.gz DQFAHSJEMNAQEQ-CQSZACIVSA-N 2 1 330.863 3.358 20 0 EGADMP [NH3+]CCSC[C@H]([NH3+])c1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC001206625232 1371112353 /nfs/dbraw/zinc/11/23/53/1371112353.db2.gz JAARVLMMUYJKLP-INIZCTEOSA-N 2 1 340.452 3.095 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC001206633709 1371115582 /nfs/dbraw/zinc/11/55/82/1371115582.db2.gz ZPNQTNMGRLFGNN-GOSISDBHSA-N 2 1 325.456 3.221 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(OCc3ccccc3)cn2)C1 ZINC001206646681 1371118250 /nfs/dbraw/zinc/11/82/50/1371118250.db2.gz DCFXQLFAMMTVGS-GOSISDBHSA-N 2 1 325.456 3.221 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(OCc3ccccc3)cn2)C1 ZINC001206646681 1371118253 /nfs/dbraw/zinc/11/82/53/1371118253.db2.gz DCFXQLFAMMTVGS-GOSISDBHSA-N 2 1 325.456 3.221 20 0 EGADMP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1c(Br)[nH]c2ccccc21 ZINC001206767654 1371157745 /nfs/dbraw/zinc/15/77/45/1371157745.db2.gz DEYLAWIWJVCQDL-NWDGAFQWSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1c(Br)[nH]c2ccccc21 ZINC001206767654 1371157750 /nfs/dbraw/zinc/15/77/50/1371157750.db2.gz DEYLAWIWJVCQDL-NWDGAFQWSA-N 2 1 336.277 3.490 20 0 EGADMP Cc1ncc(CN2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1C ZINC001206795337 1371169686 /nfs/dbraw/zinc/16/96/86/1371169686.db2.gz BUUWIVDRCCDYNH-OAQYLSRUSA-N 2 1 338.499 3.217 20 0 EGADMP Cc1[nH+]cc(CN2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1C ZINC001206795337 1371169690 /nfs/dbraw/zinc/16/96/90/1371169690.db2.gz BUUWIVDRCCDYNH-OAQYLSRUSA-N 2 1 338.499 3.217 20 0 EGADMP Cc1[nH+]cc(CN2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1C ZINC001206795337 1371169696 /nfs/dbraw/zinc/16/96/96/1371169696.db2.gz BUUWIVDRCCDYNH-OAQYLSRUSA-N 2 1 338.499 3.217 20 0 EGADMP COc1cc(OC)c(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c2ccccc12 ZINC001206810806 1371176925 /nfs/dbraw/zinc/17/69/25/1371176925.db2.gz PSPOOLWZRPDOEC-CABCVRRESA-N 2 1 328.456 3.416 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001206890227 1371209631 /nfs/dbraw/zinc/20/96/31/1371209631.db2.gz HFKWXXSFRCDIJY-INIZCTEOSA-N 2 1 349.494 3.057 20 0 EGADMP CCc1nccn1[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001207007815 1371264523 /nfs/dbraw/zinc/26/45/23/1371264523.db2.gz SIKWWQSSXFXYLS-IXDOHACOSA-N 2 1 348.535 3.269 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001207007815 1371264527 /nfs/dbraw/zinc/26/45/27/1371264527.db2.gz SIKWWQSSXFXYLS-IXDOHACOSA-N 2 1 348.535 3.269 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001207007815 1371264529 /nfs/dbraw/zinc/26/45/29/1371264529.db2.gz SIKWWQSSXFXYLS-IXDOHACOSA-N 2 1 348.535 3.269 20 0 EGADMP Fc1cccnc1C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001207035921 1371273809 /nfs/dbraw/zinc/27/38/09/1371273809.db2.gz NZPQVNOEEFDNNS-UHFFFAOYSA-N 2 1 325.431 3.319 20 0 EGADMP c1[nH+]c(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)n2ccccc12 ZINC001207054162 1371278946 /nfs/dbraw/zinc/27/89/46/1371278946.db2.gz HEQSBABYRNZTGZ-VQTJNVASSA-N 2 1 346.478 3.288 20 0 EGADMP c1[nH+]c(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)n2ccccc12 ZINC001207054162 1371278951 /nfs/dbraw/zinc/27/89/51/1371278951.db2.gz HEQSBABYRNZTGZ-VQTJNVASSA-N 2 1 346.478 3.288 20 0 EGADMP Cc1nccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001207169349 1371318461 /nfs/dbraw/zinc/31/84/61/1371318461.db2.gz IZBFMICKAJYUGF-UXHICEINSA-N 2 1 336.483 3.129 20 0 EGADMP Cc1nccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001207169349 1371318467 /nfs/dbraw/zinc/31/84/67/1371318467.db2.gz IZBFMICKAJYUGF-UXHICEINSA-N 2 1 336.483 3.129 20 0 EGADMP Cc1nccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001207169349 1371318470 /nfs/dbraw/zinc/31/84/70/1371318470.db2.gz IZBFMICKAJYUGF-UXHICEINSA-N 2 1 336.483 3.129 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001207276545 1371347839 /nfs/dbraw/zinc/34/78/39/1371347839.db2.gz ZBOKWEVVWUJQOC-HZPDHXFCSA-N 2 1 341.540 3.057 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@H]4OCCC[C@H]4C3)CC2)cc1 ZINC001207286744 1371351987 /nfs/dbraw/zinc/35/19/87/1371351987.db2.gz LNHKMZQQGXLKIY-LEWJYISDSA-N 2 1 328.500 3.400 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001207396525 1371384517 /nfs/dbraw/zinc/38/45/17/1371384517.db2.gz KIUVHTRHKGUCJV-RTWAWAEBSA-N 2 1 328.500 3.367 20 0 EGADMP CCC[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207402099 1371386296 /nfs/dbraw/zinc/38/62/96/1371386296.db2.gz WKNGFPHXKAZOPC-QGZVFWFLSA-N 2 1 339.524 3.050 20 0 EGADMP CC(C)[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207441620 1371396621 /nfs/dbraw/zinc/39/66/21/1371396621.db2.gz HBKUOORLOMPDAC-QGZVFWFLSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001207487641 1371411176 /nfs/dbraw/zinc/41/11/76/1371411176.db2.gz PFSVOMBVACIETN-YADHBBJMSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(CC[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001207487641 1371411181 /nfs/dbraw/zinc/41/11/81/1371411181.db2.gz PFSVOMBVACIETN-YADHBBJMSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(CC[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001207487641 1371411184 /nfs/dbraw/zinc/41/11/84/1371411184.db2.gz PFSVOMBVACIETN-YADHBBJMSA-N 2 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(CCN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001207487641 1371411188 /nfs/dbraw/zinc/41/11/88/1371411188.db2.gz PFSVOMBVACIETN-YADHBBJMSA-N 2 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(CCN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001207487641 1371411189 /nfs/dbraw/zinc/41/11/89/1371411189.db2.gz PFSVOMBVACIETN-YADHBBJMSA-N 2 1 341.543 3.172 20 0 EGADMP CCC[NH+](CCC)CCN1CC[NH+](CCc2ccccc2F)CC1 ZINC001207504361 1371418113 /nfs/dbraw/zinc/41/81/13/1371418113.db2.gz LIKNLKFGBRCFIS-UHFFFAOYSA-N 2 1 335.511 3.108 20 0 EGADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCc3ccc(F)cc3)C2)C1 ZINC001207514215 1371422449 /nfs/dbraw/zinc/42/24/49/1371422449.db2.gz WSDPLATUTCLNCF-TZIWHRDSSA-N 2 1 346.490 3.049 20 0 EGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](CCc3ccc(F)cc3)C2)C1 ZINC001207514215 1371422452 /nfs/dbraw/zinc/42/24/52/1371422452.db2.gz WSDPLATUTCLNCF-TZIWHRDSSA-N 2 1 346.490 3.049 20 0 EGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](CCc3ccc(F)cc3)C2)C1 ZINC001207514215 1371422455 /nfs/dbraw/zinc/42/24/55/1371422455.db2.gz WSDPLATUTCLNCF-TZIWHRDSSA-N 2 1 346.490 3.049 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540727 1371430634 /nfs/dbraw/zinc/43/06/34/1371430634.db2.gz BQOIUXLCRFGMFS-HYLNVORRSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001207540727 1371430637 /nfs/dbraw/zinc/43/06/37/1371430637.db2.gz BQOIUXLCRFGMFS-HYLNVORRSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001207540727 1371430641 /nfs/dbraw/zinc/43/06/41/1371430641.db2.gz BQOIUXLCRFGMFS-HYLNVORRSA-N 2 1 347.547 3.186 20 0 EGADMP COC(=O)CC[N@H+](CCCc1ccc(Cl)cc1)CCC[NH+](C)C ZINC001207598402 1371447079 /nfs/dbraw/zinc/44/70/79/1371447079.db2.gz ICFQSPFHFPZIQI-UHFFFAOYSA-N 2 1 340.895 3.089 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC3CCCCC3)CCCCC2)C1 ZINC001120009585 1371453336 /nfs/dbraw/zinc/45/33/36/1371453336.db2.gz AMYATEHTMVJDJJ-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCC3CCCC3)CCCCC2)C1 ZINC001120010050 1371453682 /nfs/dbraw/zinc/45/36/82/1371453682.db2.gz KIGFLKVNTBVGSF-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCCCC1 ZINC001120207795 1371503954 /nfs/dbraw/zinc/50/39/54/1371503954.db2.gz GHRFIJMLLNEBAW-DLBZAZTESA-N 2 1 341.515 3.018 20 0 EGADMP Cc1ccccc1C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCCCC1 ZINC001120207913 1371505255 /nfs/dbraw/zinc/50/52/55/1371505255.db2.gz LYRHKRUFUHQGHQ-UHFFFAOYSA-N 2 1 345.531 3.244 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001207790806 1371505617 /nfs/dbraw/zinc/50/56/17/1371505617.db2.gz YKCRAFCAYZVNLC-VKRNSVOSSA-N 2 1 340.471 3.049 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001120412052 1371564133 /nfs/dbraw/zinc/56/41/33/1371564133.db2.gz DFECTULDUWZOOO-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001120429824 1371573439 /nfs/dbraw/zinc/57/34/39/1371573439.db2.gz BTTOQLCFBPMLAN-MOPGFXCFSA-N 2 1 346.519 3.085 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001120429824 1371573441 /nfs/dbraw/zinc/57/34/41/1371573441.db2.gz BTTOQLCFBPMLAN-MOPGFXCFSA-N 2 1 346.519 3.085 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH+]2CC2CCCC2)C1 ZINC001120440087 1371578069 /nfs/dbraw/zinc/57/80/69/1371578069.db2.gz KYIQBCXJNPCOTA-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC2CCCC2)C1 ZINC001120440087 1371578073 /nfs/dbraw/zinc/57/80/73/1371578073.db2.gz KYIQBCXJNPCOTA-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC2CCCC2)C1 ZINC001120440087 1371578081 /nfs/dbraw/zinc/57/80/81/1371578081.db2.gz KYIQBCXJNPCOTA-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CCC(C)C)C1 ZINC001120440833 1371578351 /nfs/dbraw/zinc/57/83/51/1371578351.db2.gz UDCYATMOQXWSMB-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208048695 1371580490 /nfs/dbraw/zinc/58/04/90/1371580490.db2.gz JVYXEBVHLKKRLC-RBUKOAKNSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163192 1371614671 /nfs/dbraw/zinc/61/46/71/1371614671.db2.gz FGINGHIMLHELQE-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C[C@H]3CCC(C)=C[C@H]3C)CC2)C1 ZINC001208169610 1371617078 /nfs/dbraw/zinc/61/70/78/1371617078.db2.gz QTTKRKMQNMXSDN-GUDVDZBRSA-N 2 1 348.531 3.328 20 0 EGADMP COc1ccc(O[C@H]2CCC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)nc1 ZINC001208188869 1371631416 /nfs/dbraw/zinc/63/14/16/1371631416.db2.gz ONKDTBJROSSGNB-SFHVURJKSA-N 2 1 347.503 3.055 20 0 EGADMP COc1ccc(O[C@H]2CCC[N@@H+](CC3(C[NH+](C)C)CCCC3)C2)nc1 ZINC001208188869 1371631419 /nfs/dbraw/zinc/63/14/19/1371631419.db2.gz ONKDTBJROSSGNB-SFHVURJKSA-N 2 1 347.503 3.055 20 0 EGADMP CC(C)(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001208334755 1371722364 /nfs/dbraw/zinc/72/23/64/1371722364.db2.gz MBPQYGPNMGIMQJ-SJORKVTESA-N 2 1 346.519 3.167 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001208575782 1371824305 /nfs/dbraw/zinc/82/43/05/1371824305.db2.gz VEPQUXBKFZQZOV-KOXDJMIISA-N 2 1 337.552 3.290 20 0 EGADMP CC(C)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208585295 1371827968 /nfs/dbraw/zinc/82/79/68/1371827968.db2.gz KIIUUZKSCHOXSZ-NRFANRHFSA-N 2 1 329.532 3.315 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CC[NH+]3CCCC[C@H]3C2)cc1 ZINC001208589603 1371829427 /nfs/dbraw/zinc/82/94/27/1371829427.db2.gz WSICFPKZLPFHRQ-LEWJYISDSA-N 2 1 327.516 3.211 20 0 EGADMP c1ccc(C[NH+]2CCCC[C@@H]2CN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC001208589603 1371829431 /nfs/dbraw/zinc/82/94/31/1371829431.db2.gz WSICFPKZLPFHRQ-LEWJYISDSA-N 2 1 327.516 3.211 20 0 EGADMP c1ccc(C[NH+]2CCCC[C@@H]2CN2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC001208589603 1371829434 /nfs/dbraw/zinc/82/94/34/1371829434.db2.gz WSICFPKZLPFHRQ-LEWJYISDSA-N 2 1 327.516 3.211 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(C[C@H]3CCCC[NH+]3Cc3ccccc3)C[C@@H]21 ZINC001208591635 1371832072 /nfs/dbraw/zinc/83/20/72/1371832072.db2.gz MNNWJKHMNUZNOQ-NJYVYQBISA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1CCC[C@@H]2CN(C[C@H]3CCCC[N@@H+]3Cc3ccccc3)C[C@@H]21 ZINC001208591635 1371832077 /nfs/dbraw/zinc/83/20/77/1371832077.db2.gz MNNWJKHMNUZNOQ-NJYVYQBISA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1CCC[C@@H]2CN(C[C@H]3CCCC[N@H+]3Cc3ccccc3)C[C@@H]21 ZINC001208591635 1371832079 /nfs/dbraw/zinc/83/20/79/1371832079.db2.gz MNNWJKHMNUZNOQ-NJYVYQBISA-N 2 1 327.516 3.067 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](Cc2cccc(OC)c2)[C@H](C)COC)CC1 ZINC001208599812 1371836702 /nfs/dbraw/zinc/83/67/02/1371836702.db2.gz CDACBRBXKJYOMA-QGZVFWFLSA-N 2 1 334.504 3.264 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001208603176 1371837539 /nfs/dbraw/zinc/83/75/39/1371837539.db2.gz VPNZCPIMTMXYQV-KRWDZBQOSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C[C@H]1COC2(CCCCC2)O1 ZINC001208641928 1371849456 /nfs/dbraw/zinc/84/94/56/1371849456.db2.gz PNTQGMYXJPQGDF-OTWHNJEPSA-N 2 1 336.520 3.401 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@H]1COC2(CCCCC2)O1 ZINC001208641928 1371849460 /nfs/dbraw/zinc/84/94/60/1371849460.db2.gz PNTQGMYXJPQGDF-OTWHNJEPSA-N 2 1 336.520 3.401 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@H]1COC2(CCCCC2)O1 ZINC001208641928 1371849462 /nfs/dbraw/zinc/84/94/62/1371849462.db2.gz PNTQGMYXJPQGDF-OTWHNJEPSA-N 2 1 336.520 3.401 20 0 EGADMP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001121347861 1371945747 /nfs/dbraw/zinc/94/57/47/1371945747.db2.gz PNRSRKRQUSXGOD-FCOWATRHSA-N 2 1 349.563 3.170 20 0 EGADMP OCC[C@H]1CC12CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208930434 1371949268 /nfs/dbraw/zinc/94/92/68/1371949268.db2.gz BDOAMVITXDWGHB-SFTDATJTSA-N 2 1 342.527 3.383 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC001208934350 1371952072 /nfs/dbraw/zinc/95/20/72/1371952072.db2.gz FMUURYLZOMONMC-FCHUYYIVSA-N 2 1 341.543 3.459 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC001208934352 1371952275 /nfs/dbraw/zinc/95/22/75/1371952275.db2.gz FMUURYLZOMONMC-FGZHOGPDSA-N 2 1 341.543 3.459 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208936667 1371953487 /nfs/dbraw/zinc/95/34/87/1371953487.db2.gz OTTQXYCEZFHIHB-NRFANRHFSA-N 3 1 329.532 3.172 20 0 EGADMP C[NH+](CC1CC[NH+](C)CC1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208936667 1371953490 /nfs/dbraw/zinc/95/34/90/1371953490.db2.gz OTTQXYCEZFHIHB-NRFANRHFSA-N 3 1 329.532 3.172 20 0 EGADMP C[NH+](CC1CC[NH+](C)CC1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208936667 1371953494 /nfs/dbraw/zinc/95/34/94/1371953494.db2.gz OTTQXYCEZFHIHB-NRFANRHFSA-N 3 1 329.532 3.172 20 0 EGADMP C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001208936667 1371953501 /nfs/dbraw/zinc/95/35/01/1371953501.db2.gz OTTQXYCEZFHIHB-NRFANRHFSA-N 2 1 329.532 3.172 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001208936667 1371953503 /nfs/dbraw/zinc/95/35/03/1371953503.db2.gz OTTQXYCEZFHIHB-NRFANRHFSA-N 2 1 329.532 3.172 20 0 EGADMP COC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208947446 1371959254 /nfs/dbraw/zinc/95/92/54/1371959254.db2.gz KDUMEUZMVJIZKT-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208947446 1371959256 /nfs/dbraw/zinc/95/92/56/1371959256.db2.gz KDUMEUZMVJIZKT-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)[C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208947446 1371959265 /nfs/dbraw/zinc/95/92/65/1371959265.db2.gz KDUMEUZMVJIZKT-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)[C@@H]1CCCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208953651 1371961378 /nfs/dbraw/zinc/96/13/78/1371961378.db2.gz RFHFQGJBPTUCOB-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)[C@@H]1CCCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208953651 1371961381 /nfs/dbraw/zinc/96/13/81/1371961381.db2.gz RFHFQGJBPTUCOB-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)[C@@H]1CCCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208953651 1371961382 /nfs/dbraw/zinc/96/13/82/1371961382.db2.gz RFHFQGJBPTUCOB-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209134702 1372010027 /nfs/dbraw/zinc/01/00/27/1372010027.db2.gz QZQDRUIHBCHUPB-RTLRUIJZSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC3(C2)CC([NH2+]C[C@H](C)CC)C3)C1 ZINC001121616690 1372026786 /nfs/dbraw/zinc/02/67/86/1372026786.db2.gz OGKLLADMUAXPEG-PPDYRMFTSA-N 2 1 349.563 3.172 20 0 EGADMP c1csc(C[N@H+]2C[C@H]3CN(CCOc4ccccc4)C[C@H]3C2)c1 ZINC001209296207 1372061779 /nfs/dbraw/zinc/06/17/79/1372061779.db2.gz AFHIDWZTJJQRPH-CALCHBBNSA-N 2 1 328.481 3.191 20 0 EGADMP c1csc(CN2C[C@@H]3C[N@H+](CCOc4ccccc4)C[C@@H]3C2)c1 ZINC001209296207 1372061782 /nfs/dbraw/zinc/06/17/82/1372061782.db2.gz AFHIDWZTJJQRPH-CALCHBBNSA-N 2 1 328.481 3.191 20 0 EGADMP c1csc(CN2C[C@@H]3C[N@@H+](CCOc4ccccc4)C[C@@H]3C2)c1 ZINC001209296207 1372061785 /nfs/dbraw/zinc/06/17/85/1372061785.db2.gz AFHIDWZTJJQRPH-CALCHBBNSA-N 2 1 328.481 3.191 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001121849270 1372101709 /nfs/dbraw/zinc/10/17/09/1372101709.db2.gz YKWXNPDMFCORMY-UHFFFAOYSA-N 2 1 346.519 3.214 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3CN(CCC[NH+]4CCCCC4)C[C@@H]32)cc1 ZINC001209449028 1372109443 /nfs/dbraw/zinc/10/94/43/1372109443.db2.gz QAJGIGPBGHUKTG-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CCC[NH+]1CCCCC1 ZINC001209455139 1372110754 /nfs/dbraw/zinc/11/07/54/1372110754.db2.gz ZPRRXZXCCQQILO-WOJBJXKFSA-N 2 1 329.532 3.457 20 0 EGADMP Cc1cccc2c(C[N@@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)c[nH]c21 ZINC001209482287 1372117241 /nfs/dbraw/zinc/11/72/41/1372117241.db2.gz HXAUKBMGVRJRFM-BGYRXZFFSA-N 2 1 346.478 3.435 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001121915716 1372122274 /nfs/dbraw/zinc/12/22/74/1372122274.db2.gz NCIHFWRHFKNRIA-WIOLVWRCSA-N 2 1 346.519 3.035 20 0 EGADMP Cn1nc2ccccc2c1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209542505 1372133085 /nfs/dbraw/zinc/13/30/85/1372133085.db2.gz STWDLKUFGJADCN-RTBURBONSA-N 2 1 346.478 3.137 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001209565934 1372137990 /nfs/dbraw/zinc/13/79/90/1372137990.db2.gz ICYOOSUQSJFTAG-WXUGTPJSSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001209565934 1372137994 /nfs/dbraw/zinc/13/79/94/1372137994.db2.gz ICYOOSUQSJFTAG-WXUGTPJSSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001209565934 1372137996 /nfs/dbraw/zinc/13/79/96/1372137996.db2.gz ICYOOSUQSJFTAG-WXUGTPJSSA-N 2 1 337.552 3.291 20 0 EGADMP Cc1nc2ccccn2c1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001209646707 1372160775 /nfs/dbraw/zinc/16/07/75/1372160775.db2.gz GRVQXFPBPRFNIO-GOSISDBHSA-N 2 1 326.488 3.483 20 0 EGADMP Cc1nc2ccccn2c1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001209646707 1372160776 /nfs/dbraw/zinc/16/07/76/1372160776.db2.gz GRVQXFPBPRFNIO-GOSISDBHSA-N 2 1 326.488 3.483 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC1CCCCCC1)C2 ZINC001122106653 1372175700 /nfs/dbraw/zinc/17/57/00/1372175700.db2.gz MNMOHIDRTVDGEI-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CCC1CCCCC1)C2 ZINC001122248854 1372211811 /nfs/dbraw/zinc/21/18/11/1372211811.db2.gz MDIGUPDYAPNCPI-UHFFFAOYSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001209951887 1372240362 /nfs/dbraw/zinc/24/03/62/1372240362.db2.gz OGCIYWLNTDWIAS-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP [NH3+]CCN1CC[NH+](Cc2ccccc2Oc2ccc(Cl)cc2)CC1 ZINC001209976525 1372246190 /nfs/dbraw/zinc/24/61/90/1372246190.db2.gz RIFKDUMAPLFZEZ-UHFFFAOYSA-N 2 1 345.874 3.209 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](F)CC)C[C@H]1C ZINC001210236457 1372300869 /nfs/dbraw/zinc/30/08/69/1372300869.db2.gz OOJNECANGOLXCH-KZNAEPCWSA-N 2 1 343.531 3.073 20 0 EGADMP Clc1ccc2oc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)nc2c1 ZINC001210261335 1372307770 /nfs/dbraw/zinc/30/77/70/1372307770.db2.gz YHAUVTDREYVNKS-UHFFFAOYSA-N 2 1 329.791 3.029 20 0 EGADMP c1ccc(C[C@@H]2CN(C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC[NH2+]2)cc1 ZINC001210266800 1372310563 /nfs/dbraw/zinc/31/05/63/1372310563.db2.gz JVLSFGWYTRLKFV-DHIUTWEWSA-N 2 1 349.522 3.025 20 0 EGADMP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CC[NH2+][C@@H](C)CC3)c2)cc1 ZINC001210518717 1372371375 /nfs/dbraw/zinc/37/13/75/1372371375.db2.gz IXNUIUZGRSUSPH-INIZCTEOSA-N 2 1 338.451 3.324 20 0 EGADMP COC(=O)c1ccc(-c2cccc(C[N@H+]3CC[NH2+][C@@H](C)CC3)c2)cc1 ZINC001210518717 1372371379 /nfs/dbraw/zinc/37/13/79/1372371379.db2.gz IXNUIUZGRSUSPH-INIZCTEOSA-N 2 1 338.451 3.324 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001210796410 1372427781 /nfs/dbraw/zinc/42/77/81/1372427781.db2.gz FXVZERXVIBCBPX-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001210811092 1372430528 /nfs/dbraw/zinc/43/05/28/1372430528.db2.gz ITZNCUWIVLYMMS-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP O=C(N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001210865640 1372442774 /nfs/dbraw/zinc/44/27/74/1372442774.db2.gz YJFJOHVXFLWUNC-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP CCN1CC[NH+](Cc2ccc(Nc3ccc(C[NH2+]C)cc3)cc2)CC1 ZINC001211128766 1372488575 /nfs/dbraw/zinc/48/85/75/1372488575.db2.gz JGKGMBYMEVRDTQ-UHFFFAOYSA-N 2 1 338.499 3.287 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001211282446 1372519869 /nfs/dbraw/zinc/51/98/69/1372519869.db2.gz ALNTWMYZAPFRBN-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@H]([NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1)c1ccccc1 ZINC001211285615 1372520687 /nfs/dbraw/zinc/52/06/87/1372520687.db2.gz QDNUAGJEZITTHV-OALUTQOASA-N 2 1 331.504 3.059 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCC(C)CC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343734 1372536666 /nfs/dbraw/zinc/53/66/66/1372536666.db2.gz JLEBDCVYKAGISO-CQJJOKNBSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444332 1372559811 /nfs/dbraw/zinc/55/98/11/1372559811.db2.gz VNUOCAFOWGHLKF-XOIGSVRCSA-N 2 1 335.536 3.045 20 0 EGADMP COCc1cccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1 ZINC001212145347 1372663644 /nfs/dbraw/zinc/66/36/44/1372663644.db2.gz QEZVGAJZPWFNGH-INIZCTEOSA-N 2 1 332.448 3.051 20 0 EGADMP Cc1cc(F)cc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1F ZINC001212145133 1372663758 /nfs/dbraw/zinc/66/37/58/1372663758.db2.gz LSNPHDYCZQELLC-AWEZNQCLSA-N 2 1 338.402 3.491 20 0 EGADMP CC(=O)c1cccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1 ZINC001212145618 1372663946 /nfs/dbraw/zinc/66/39/46/1372663946.db2.gz ZCNRHCZUBDRUGS-INIZCTEOSA-N 2 1 330.432 3.107 20 0 EGADMP CCCCC[C@H]([NH3+])c1nc(-c2cccc(N3CC[NH+](C)CC3)c2)no1 ZINC001212270795 1372680950 /nfs/dbraw/zinc/68/09/50/1372680950.db2.gz DQOMSBSWMYVQPR-KRWDZBQOSA-N 2 1 343.475 3.069 20 0 EGADMP COc1cc(N2CC[NH+](C)CC2)ccc1Nc1[nH+]c(C)ccc1C ZINC001213541324 1372922951 /nfs/dbraw/zinc/92/29/51/1372922951.db2.gz RQUYIUWQVLKYIO-UHFFFAOYSA-N 2 1 326.444 3.202 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214611308 1373089726 /nfs/dbraw/zinc/08/97/26/1373089726.db2.gz ZGHNWMOOIOKVJP-JMKDSLFWSA-N 2 1 335.536 3.042 20 0 EGADMP C[NH+](C)Cc1ccc(-c2noc(-c3c[nH+]ccc3N3CCCC3)n2)cc1 ZINC001214680440 1373101058 /nfs/dbraw/zinc/10/10/58/1373101058.db2.gz MLEGWODGOLXIMC-UHFFFAOYSA-N 2 1 349.438 3.460 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CCCC(C)(C)C ZINC001214855994 1373130927 /nfs/dbraw/zinc/13/09/27/1373130927.db2.gz UEHQZQZSQGNNLB-BRWVUGGUSA-N 2 1 346.519 3.023 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216851016 1373350660 /nfs/dbraw/zinc/35/06/60/1373350660.db2.gz YCMDFSXSLWCNDU-DYHLCXIJSA-N 2 1 343.515 3.082 20 0 EGADMP c1ccc(C[N@H+]2CCCO[C@H](COCCCC3CC[NH2+]CC3)C2)cc1 ZINC001217888462 1373510159 /nfs/dbraw/zinc/51/01/59/1373510159.db2.gz TUKFNLKEKNESJK-NRFANRHFSA-N 2 1 346.515 3.074 20 0 EGADMP C[C@@H]1CC[C@@H](OC[C@@]2(C)C[N@@H+](Cc3ccccc3)CC(C)(C)O2)C[NH2+]1 ZINC001217910257 1373511069 /nfs/dbraw/zinc/51/10/69/1373511069.db2.gz IDNDKJTUPSQJLZ-YFVAEKQCSA-N 2 1 346.515 3.213 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001130427357 1373533970 /nfs/dbraw/zinc/53/39/70/1373533970.db2.gz MVCDVTCKDMFWDD-MRXNPFEDSA-N 2 1 347.547 3.481 20 0 EGADMP c1ccc(C[N@@H+]2CCc3ccc(O[C@@H]4CC[C@]45CC[NH2+]C5)nc3C2)cc1 ZINC001218114725 1373563495 /nfs/dbraw/zinc/56/34/95/1373563495.db2.gz CZUXYCQZMXPOBP-IFMALSPDSA-N 2 1 349.478 3.161 20 0 EGADMP c1ccc(C[N@H+]2CCc3ccc(O[C@@H]4CC[C@]45CC[NH2+]C5)nc3C2)cc1 ZINC001218114725 1373563500 /nfs/dbraw/zinc/56/35/00/1373563500.db2.gz CZUXYCQZMXPOBP-IFMALSPDSA-N 2 1 349.478 3.161 20 0 EGADMP CCc1ccc(C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)cc1 ZINC001130622274 1373570773 /nfs/dbraw/zinc/57/07/73/1373570773.db2.gz ANRSPWSFJFTTMZ-UHFFFAOYSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130622304 1373570901 /nfs/dbraw/zinc/57/09/01/1373570901.db2.gz CCFLMMFODDGXKR-INIZCTEOSA-N 2 1 325.541 3.027 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]CCCC(C)(C)C ZINC001130622288 1373571021 /nfs/dbraw/zinc/57/10/21/1373571021.db2.gz BAGWVKRIPACWFY-UHFFFAOYSA-N 2 1 325.541 3.172 20 0 EGADMP CC[C@@H](c1cccc(O[C@@H]2C[NH2+]CC2(F)F)c1)[C@@H](C)C[NH+](C)C ZINC001218237912 1373580746 /nfs/dbraw/zinc/58/07/46/1373580746.db2.gz XUHQKTRSZWWCKZ-IAOVAPTHSA-N 2 1 326.431 3.364 20 0 EGADMP c1ccc(C[N@@H+]2CCc3ccc(O[C@@H]4CC[C@H]5C[NH2+]C[C@H]54)nc3C2)cc1 ZINC001218462450 1373619164 /nfs/dbraw/zinc/61/91/64/1373619164.db2.gz XJFWMWGXLCHMKF-QKNQBKEWSA-N 2 1 349.478 3.017 20 0 EGADMP c1ccc(C[N@H+]2CCc3ccc(O[C@@H]4CC[C@H]5C[NH2+]C[C@H]54)nc3C2)cc1 ZINC001218462450 1373619168 /nfs/dbraw/zinc/61/91/68/1373619168.db2.gz XJFWMWGXLCHMKF-QKNQBKEWSA-N 2 1 349.478 3.017 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001221662507 1373786643 /nfs/dbraw/zinc/78/66/43/1373786643.db2.gz PMBSKYGPCGDLOL-IEBWSBKVSA-N 2 1 349.563 3.362 20 0 EGADMP CCCCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1 ZINC001221662507 1373786645 /nfs/dbraw/zinc/78/66/45/1373786645.db2.gz PMBSKYGPCGDLOL-IEBWSBKVSA-N 2 1 349.563 3.362 20 0 EGADMP CCCCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001221662507 1373786646 /nfs/dbraw/zinc/78/66/46/1373786646.db2.gz PMBSKYGPCGDLOL-IEBWSBKVSA-N 2 1 349.563 3.362 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222092341 1373816060 /nfs/dbraw/zinc/81/60/60/1373816060.db2.gz OYIRERYHPPKNFV-HXUWFJFHSA-N 2 1 345.531 3.279 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222092341 1373816065 /nfs/dbraw/zinc/81/60/65/1373816065.db2.gz OYIRERYHPPKNFV-HXUWFJFHSA-N 2 1 345.531 3.279 20 0 EGADMP Cc1c2ccccc2sc1C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222400838 1373837227 /nfs/dbraw/zinc/83/72/27/1373837227.db2.gz JYWQPUFPZLMDIC-UHFFFAOYSA-N 2 1 330.497 3.412 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001223971816 1375050615 /nfs/dbraw/zinc/05/06/15/1375050615.db2.gz RENYOHOJVVDMHV-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]21 ZINC001223971816 1375050616 /nfs/dbraw/zinc/05/06/16/1375050616.db2.gz RENYOHOJVVDMHV-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]21 ZINC001223971816 1375050618 /nfs/dbraw/zinc/05/06/18/1375050618.db2.gz RENYOHOJVVDMHV-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188663837 1388355516 /nfs/dbraw/zinc/35/55/16/1388355516.db2.gz CZWXFYJVEXVRGL-AZUAARDMSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188663837 1388355521 /nfs/dbraw/zinc/35/55/21/1388355521.db2.gz CZWXFYJVEXVRGL-AZUAARDMSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188663837 1388355528 /nfs/dbraw/zinc/35/55/28/1388355528.db2.gz CZWXFYJVEXVRGL-AZUAARDMSA-N 2 1 347.547 3.140 20 0 EGADMP CCCCCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001224795476 1375077060 /nfs/dbraw/zinc/07/70/60/1375077060.db2.gz IKFCVKXDQVUDBO-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC/C=C/CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001224795072 1375077405 /nfs/dbraw/zinc/07/74/05/1375077405.db2.gz CWQCNRICZKHOKA-LOKQZNEXSA-N 2 1 347.547 3.188 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC[NH+](CC=C(C)C)CC1 ZINC001224884068 1375082655 /nfs/dbraw/zinc/08/26/55/1375082655.db2.gz MMAPIDHZHSZOMV-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132128171 1375160869 /nfs/dbraw/zinc/16/08/69/1375160869.db2.gz JNCDQCPSOHFFSZ-RTBURBONSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@H+]1CC1CCC1 ZINC001132141597 1375167633 /nfs/dbraw/zinc/16/76/33/1375167633.db2.gz SKEHNWZYJJDHTI-WMZOPIPTSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[NH+]1CC1CCC1 ZINC001132141597 1375167638 /nfs/dbraw/zinc/16/76/38/1375167638.db2.gz SKEHNWZYJJDHTI-WMZOPIPTSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[NH+]1CC1CCC1 ZINC001132141597 1375167640 /nfs/dbraw/zinc/16/76/40/1375167640.db2.gz SKEHNWZYJJDHTI-WMZOPIPTSA-N 2 1 349.563 3.409 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132150167 1375170715 /nfs/dbraw/zinc/17/07/15/1375170715.db2.gz OSIKBAFLTNUSMQ-QZTJIDSGSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@H+]1CCC1CC1 ZINC001132212135 1375212866 /nfs/dbraw/zinc/21/28/66/1375212866.db2.gz UEWKIVHWRCRQAT-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001226162131 1375213655 /nfs/dbraw/zinc/21/36/55/1375213655.db2.gz XABYXMLANWRFSF-AXTJNSDUSA-N 2 1 335.536 3.233 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001226332815 1375241226 /nfs/dbraw/zinc/24/12/26/1375241226.db2.gz BBCWQYDEKOUPHS-UUIVDXDSSA-N 2 1 335.536 3.090 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)c(C)c1 ZINC001132269522 1375258179 /nfs/dbraw/zinc/25/81/79/1375258179.db2.gz LGVNXBCCTCLWOG-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCC2)C1 ZINC001132335604 1375317065 /nfs/dbraw/zinc/31/70/65/1375317065.db2.gz RDAIYILGHIRQGX-AEFFLSMTSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CCC2)C1 ZINC001132335604 1375317069 /nfs/dbraw/zinc/31/70/69/1375317069.db2.gz RDAIYILGHIRQGX-AEFFLSMTSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001226766306 1375329418 /nfs/dbraw/zinc/32/94/18/1375329418.db2.gz LSRMPZGYBVIYGD-GUDVDZBRSA-N 2 1 335.536 3.233 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC(C)(C)C)C1 ZINC001132365309 1375329782 /nfs/dbraw/zinc/32/97/82/1375329782.db2.gz JBFOZAGELZPCFO-AEFFLSMTSA-N 2 1 348.535 3.377 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001132365309 1375329798 /nfs/dbraw/zinc/32/97/98/1375329798.db2.gz JBFOZAGELZPCFO-AEFFLSMTSA-N 2 1 348.535 3.377 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](C/C=C\c2ccccc2)C1 ZINC001132368025 1375332678 /nfs/dbraw/zinc/33/26/78/1375332678.db2.gz HXTFAGFMRMARGI-JXYKKQOOSA-N 2 1 343.515 3.011 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC001226817760 1375342304 /nfs/dbraw/zinc/34/23/04/1375342304.db2.gz ITCAIJJFNDDTMV-PWIZWCRZSA-N 2 1 343.515 3.249 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001132392696 1375348188 /nfs/dbraw/zinc/34/81/88/1375348188.db2.gz OSFNJNWSUJXSDG-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1cccc(C[N@@H+]2C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]2C)c1 ZINC001132432270 1375377421 /nfs/dbraw/zinc/37/74/21/1375377421.db2.gz BMHZZWPAPBXUAV-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1Cc1ccc(F)cc1 ZINC001132433236 1375379014 /nfs/dbraw/zinc/37/90/14/1375379014.db2.gz LHTXEPURBNGYKC-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccccc2F)C1 ZINC001132435331 1375379917 /nfs/dbraw/zinc/37/99/17/1375379917.db2.gz BUHJTYCIBSRMAJ-AEFFLSMTSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2F)C1 ZINC001132435331 1375379919 /nfs/dbraw/zinc/37/99/19/1375379919.db2.gz BUHJTYCIBSRMAJ-AEFFLSMTSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2F)C1 ZINC001132435331 1375379920 /nfs/dbraw/zinc/37/99/20/1375379920.db2.gz BUHJTYCIBSRMAJ-AEFFLSMTSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132442035 1375386587 /nfs/dbraw/zinc/38/65/87/1375386587.db2.gz VWPHVFJFRZVWDA-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001132442035 1375386590 /nfs/dbraw/zinc/38/65/90/1375386590.db2.gz VWPHVFJFRZVWDA-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001132442035 1375386593 /nfs/dbraw/zinc/38/65/93/1375386593.db2.gz VWPHVFJFRZVWDA-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cccc(CC)c2)C1 ZINC001132441885 1375386671 /nfs/dbraw/zinc/38/66/71/1375386671.db2.gz UYUGCZLIZCBYGF-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(CC)c2)C1 ZINC001132441885 1375386677 /nfs/dbraw/zinc/38/66/77/1375386677.db2.gz UYUGCZLIZCBYGF-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(CC)c2)C1 ZINC001132441885 1375386681 /nfs/dbraw/zinc/38/66/81/1375386681.db2.gz UYUGCZLIZCBYGF-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC001227150645 1375398027 /nfs/dbraw/zinc/39/80/27/1375398027.db2.gz XIRXOJDQQNDIKC-BHIYHBOVSA-N 2 1 345.531 3.495 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](C/C=C\c2ccccc2)C1 ZINC001132521852 1375438508 /nfs/dbraw/zinc/43/85/08/1375438508.db2.gz IBABVRWLHFKOAV-NCJCTJFTSA-N 2 1 343.515 3.009 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](C/C=C\c2ccccc2)C1 ZINC001132521852 1375438515 /nfs/dbraw/zinc/43/85/15/1375438515.db2.gz IBABVRWLHFKOAV-NCJCTJFTSA-N 2 1 343.515 3.009 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](C/C=C\c2ccccc2)C1 ZINC001132521852 1375438519 /nfs/dbraw/zinc/43/85/19/1375438519.db2.gz IBABVRWLHFKOAV-NCJCTJFTSA-N 2 1 343.515 3.009 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CC1=CCCCC1 ZINC001132524822 1375440370 /nfs/dbraw/zinc/44/03/70/1375440370.db2.gz MGHWOGQXHJPTFK-UYAOXDASSA-N 2 1 347.547 3.332 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1Cc1ccsc1 ZINC001132524209 1375440865 /nfs/dbraw/zinc/44/08/65/1375440865.db2.gz FOVWLSIEQGFTKB-SJLPKXTDSA-N 2 1 349.544 3.093 20 0 EGADMP CC/C=C/CC[NH+]1CCC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001227792783 1375475846 /nfs/dbraw/zinc/47/58/46/1375475846.db2.gz VPLLKXPAHNPNJY-ZMBJWTFHSA-N 2 1 335.536 3.186 20 0 EGADMP O=C(NCC[NH2+]CC1CC2(CCC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132795731 1375568948 /nfs/dbraw/zinc/56/89/48/1375568948.db2.gz XCNSMYIAXCHYOQ-IBGZPJMESA-N 2 1 347.547 3.070 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001132979150 1375691276 /nfs/dbraw/zinc/69/12/76/1375691276.db2.gz ZOLKAQSHNSJFKU-FUHWJXTLSA-N 2 1 348.535 3.092 20 0 EGADMP C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C[NH2+]CC1CC1 ZINC001133011173 1375709951 /nfs/dbraw/zinc/70/99/51/1375709951.db2.gz HISSFTMYVCEGCF-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133122979 1375787229 /nfs/dbraw/zinc/78/72/29/1375787229.db2.gz WYNJFWHJNHVXJC-HMTUNPETSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001133166223 1375819591 /nfs/dbraw/zinc/81/95/91/1375819591.db2.gz RJAFECZMYQOPMC-HKUYNNGSSA-N 2 1 346.519 3.012 20 0 EGADMP CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001229462314 1375840608 /nfs/dbraw/zinc/84/06/08/1375840608.db2.gz KYPHFKMZLBNIHK-IBGZPJMESA-N 2 1 337.552 3.410 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(CC)CC)C1 ZINC001133263009 1375878860 /nfs/dbraw/zinc/87/88/60/1375878860.db2.gz NOXXWPVRFOLNMC-HKUYNNGSSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@@H+](C)CCC ZINC001133410402 1375993902 /nfs/dbraw/zinc/99/39/02/1375993902.db2.gz CYYZXFUFUICMHD-UHFFFAOYSA-N 2 1 339.911 3.010 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230506693 1376044498 /nfs/dbraw/zinc/04/44/98/1376044498.db2.gz BTEADRPXYRSHBU-LIRRHRJNSA-N 2 1 336.439 3.435 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230506693 1376044505 /nfs/dbraw/zinc/04/45/05/1376044505.db2.gz BTEADRPXYRSHBU-LIRRHRJNSA-N 2 1 336.439 3.435 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230506693 1376044515 /nfs/dbraw/zinc/04/45/15/1376044515.db2.gz BTEADRPXYRSHBU-LIRRHRJNSA-N 2 1 336.439 3.435 20 0 EGADMP Nc1[nH]c2ccc(O[C@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)cc2[nH+]1 ZINC001230518909 1376051017 /nfs/dbraw/zinc/05/10/17/1376051017.db2.gz WCMIESUEIHZOLP-HNNXBMFYSA-N 2 1 342.830 3.452 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001230581161 1376085397 /nfs/dbraw/zinc/08/53/97/1376085397.db2.gz VXLDPFJDTCMNQZ-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2=CCCCC2)CC1 ZINC001230592005 1376090092 /nfs/dbraw/zinc/09/00/92/1376090092.db2.gz PGXZHLWZPMFUKX-FQEVSTJZSA-N 2 1 347.547 3.142 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610476 1376099248 /nfs/dbraw/zinc/09/92/48/1376099248.db2.gz BZEBFSDTGWJYPK-DUIUGDAFSA-N 2 1 349.563 3.388 20 0 EGADMP C[N@H+]1CC[C@]2(CCN(Cc3ccc(OC(F)(F)C(F)F)cc3)C2)C1 ZINC001231826678 1376324227 /nfs/dbraw/zinc/32/42/27/1376324227.db2.gz LKLVFZPXPGWMOC-INIZCTEOSA-N 2 1 346.368 3.451 20 0 EGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(OC(F)(F)C(F)F)cc3)C2)C1 ZINC001231826678 1376324234 /nfs/dbraw/zinc/32/42/34/1376324234.db2.gz LKLVFZPXPGWMOC-INIZCTEOSA-N 2 1 346.368 3.451 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(OC(F)(F)C(F)F)cc3)C2)C1 ZINC001231826678 1376324236 /nfs/dbraw/zinc/32/42/36/1376324236.db2.gz LKLVFZPXPGWMOC-INIZCTEOSA-N 2 1 346.368 3.451 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(OC(F)(F)C(F)F)cc3)C2)C1 ZINC001231826678 1376324243 /nfs/dbraw/zinc/32/42/43/1376324243.db2.gz LKLVFZPXPGWMOC-INIZCTEOSA-N 2 1 346.368 3.451 20 0 EGADMP Cc1cc(CN2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)cc(C)n1 ZINC001231996782 1376375506 /nfs/dbraw/zinc/37/55/06/1376375506.db2.gz HCOUJWHYXDAVSY-FQEVSTJZSA-N 2 1 331.504 3.021 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)CC[C@@]1(O)C(F)(F)F ZINC001232144648 1376409359 /nfs/dbraw/zinc/40/93/59/1376409359.db2.gz MMXXQWXATDXGHL-LRDDRELGSA-N 2 1 348.384 3.023 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1cccc(C)c1 ZINC001327212242 1388444859 /nfs/dbraw/zinc/44/48/59/1388444859.db2.gz BTTMKSXSAVJXOO-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)Cc1cccc(C)c1 ZINC001327212242 1388444862 /nfs/dbraw/zinc/44/48/62/1388444862.db2.gz BTTMKSXSAVJXOO-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)Cc1cccc(C)c1 ZINC001327212242 1388444869 /nfs/dbraw/zinc/44/48/69/1388444869.db2.gz BTTMKSXSAVJXOO-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2cnc(C)c(C)c2)CC1 ZINC001233162693 1376578466 /nfs/dbraw/zinc/57/84/66/1376578466.db2.gz JKSZTKPGCSHDCS-UHFFFAOYSA-N 2 1 346.563 3.328 20 0 EGADMP Cc1c[nH]c(=O)c(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1 ZINC001233192098 1376583443 /nfs/dbraw/zinc/58/34/43/1376583443.db2.gz LCOGDRKEUPXUKZ-UHFFFAOYSA-N 2 1 341.455 3.177 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001327226007 1388452533 /nfs/dbraw/zinc/45/25/33/1388452533.db2.gz VMNWHOUONLXPEX-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H](c1cccc(F)c1)[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001327226007 1388452536 /nfs/dbraw/zinc/45/25/36/1388452536.db2.gz VMNWHOUONLXPEX-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H](c1cccc(F)c1)[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001327226007 1388452541 /nfs/dbraw/zinc/45/25/41/1388452541.db2.gz VMNWHOUONLXPEX-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612366 1376624817 /nfs/dbraw/zinc/62/48/17/1376624817.db2.gz LREWMWBJVQSKIR-DLBZAZTESA-N 2 1 337.552 3.314 20 0 EGADMP CC[N@H+]1CCO[C@@H]2CN(Cc3ccc4nc(Cl)ccc4c3)C[C@@H]2C1 ZINC001233444082 1376646477 /nfs/dbraw/zinc/64/64/77/1376646477.db2.gz CCOFTMSOFJJCDK-FUHWJXTLSA-N 2 1 345.874 3.041 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001134762792 1376707690 /nfs/dbraw/zinc/70/76/90/1376707690.db2.gz GTLBCYDATKYUNL-PKOBYXMFSA-N 2 1 331.504 3.025 20 0 EGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235038135 1376836924 /nfs/dbraw/zinc/83/69/24/1376836924.db2.gz UEOFKDAMXVZMIL-DNVCBOLYSA-N 2 1 341.499 3.276 20 0 EGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235036844 1376837301 /nfs/dbraw/zinc/83/73/01/1376837301.db2.gz NZDGJRFLFIQBPZ-YFVAEKQCSA-N 2 1 344.543 3.473 20 0 EGADMP c1ccc(Oc2ccc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235039195 1376838448 /nfs/dbraw/zinc/83/84/48/1376838448.db2.gz VGHONBKXJCTTOG-WIYYLYMNSA-N 2 1 338.451 3.289 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001135029597 1376857343 /nfs/dbraw/zinc/85/73/43/1376857343.db2.gz PBWQBIMTBBEGRO-HZPDHXFCSA-N 2 1 334.508 3.035 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C[C@H]1CC[NH+]1CC1=CCCCC1 ZINC001235337603 1376868995 /nfs/dbraw/zinc/86/89/95/1376868995.db2.gz ULSOWMOZWUSWTK-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)C[C@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001235337603 1376869001 /nfs/dbraw/zinc/86/90/01/1376869001.db2.gz ULSOWMOZWUSWTK-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)C[C@H]1CC[N@H+]1CC1=CCCCC1 ZINC001235337603 1376869007 /nfs/dbraw/zinc/86/90/07/1376869007.db2.gz ULSOWMOZWUSWTK-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP c1ccc2c(c1)[C@@H]1C[N@@H+](C[C@H]3CCCC[NH2+]3)C[C@@H]1[C@H]2OCC1CC1 ZINC001235630590 1376878593 /nfs/dbraw/zinc/87/85/93/1376878593.db2.gz DSBIHZKITILWRX-SEVLPDGMSA-N 2 1 326.484 3.325 20 0 EGADMP c1ccc2c(c1)[C@@H]1C[N@H+](C[C@H]3CCCC[NH2+]3)C[C@@H]1[C@H]2OCC1CC1 ZINC001235630590 1376878599 /nfs/dbraw/zinc/87/85/99/1376878599.db2.gz DSBIHZKITILWRX-SEVLPDGMSA-N 2 1 326.484 3.325 20 0 EGADMP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135077598 1376882463 /nfs/dbraw/zinc/88/24/63/1376882463.db2.gz PYCJJQQSNJKQDQ-ROUUACIJSA-N 2 1 337.552 3.480 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](CCCC3CCC3)C[C@H]21)CC(C)(C)C ZINC001189160271 1388469207 /nfs/dbraw/zinc/46/92/07/1388469207.db2.gz ZPFWMYUMXVBSRG-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21)CC(C)(C)C ZINC001189160271 1388469212 /nfs/dbraw/zinc/46/92/12/1388469212.db2.gz ZPFWMYUMXVBSRG-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21)CC(C)(C)C ZINC001189160271 1388469214 /nfs/dbraw/zinc/46/92/14/1388469214.db2.gz ZPFWMYUMXVBSRG-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1OC1CCCC1 ZINC001235942863 1376920090 /nfs/dbraw/zinc/92/00/90/1376920090.db2.gz YJLVJWRIXSIQPW-IRXDYDNUSA-N 2 1 330.472 3.058 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1OC1CCCC1 ZINC001235942863 1376920096 /nfs/dbraw/zinc/92/00/96/1376920096.db2.gz YJLVJWRIXSIQPW-IRXDYDNUSA-N 2 1 330.472 3.058 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1C[C@H]([NH3+])Cc1ccccc1 ZINC001236253339 1376945858 /nfs/dbraw/zinc/94/58/58/1376945858.db2.gz MHXCMOWTCWEKBO-YADHBBJMSA-N 2 1 337.511 3.153 20 0 EGADMP Clc1cccc2c1CC[C@@H]([NH2+][C@@H]1CCCC[C@@]13C[NH2+]CCO3)C2 ZINC001246157431 1377050444 /nfs/dbraw/zinc/05/04/44/1377050444.db2.gz AWVPTEZJPBSBAU-ATZDWAIDSA-N 2 1 334.891 3.088 20 0 EGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246162042 1377050472 /nfs/dbraw/zinc/05/04/72/1377050472.db2.gz WHMQICXTNMGPKR-JEBQAFNWSA-N 2 1 340.870 3.301 20 0 EGADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]C2CCC3(C[NH2+]C3)CC2)CC[NH2+]1 ZINC001246379521 1377051478 /nfs/dbraw/zinc/05/14/78/1377051478.db2.gz PRTJCQCYQZOHSS-HKUYNNGSSA-N 3 1 331.479 3.049 20 0 EGADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246546443 1377052266 /nfs/dbraw/zinc/05/22/66/1377052266.db2.gz KCVLOMRVWBLLJB-RTBURBONSA-N 2 1 338.451 3.383 20 0 EGADMP C[N@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246546443 1377052273 /nfs/dbraw/zinc/05/22/73/1377052273.db2.gz KCVLOMRVWBLLJB-RTBURBONSA-N 2 1 338.451 3.383 20 0 EGADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246546443 1377052276 /nfs/dbraw/zinc/05/22/76/1377052276.db2.gz KCVLOMRVWBLLJB-RTBURBONSA-N 2 1 338.451 3.383 20 0 EGADMP CC(C)[C@H]1C[C@H]([N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246724982 1377053170 /nfs/dbraw/zinc/05/31/70/1377053170.db2.gz NOKDUCAJICKCRR-XCJLJZCSSA-N 2 1 343.515 3.339 20 0 EGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH2+]1 ZINC001246821068 1377055178 /nfs/dbraw/zinc/05/51/78/1377055178.db2.gz ICLMPKCWXDEFAJ-MUGJNUQGSA-N 2 1 327.516 3.112 20 0 EGADMP CC(C)(C)[C@@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)CC[NH2+]1 ZINC001246821068 1377055180 /nfs/dbraw/zinc/05/51/80/1377055180.db2.gz ICLMPKCWXDEFAJ-MUGJNUQGSA-N 2 1 327.516 3.112 20 0 EGADMP CC(C)(C)[C@@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)CC[NH2+]1 ZINC001246821068 1377055182 /nfs/dbraw/zinc/05/51/82/1377055182.db2.gz ICLMPKCWXDEFAJ-MUGJNUQGSA-N 2 1 327.516 3.112 20 0 EGADMP Fc1ccc(CN2CCC[N@H+]([C@H]3CCC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246822708 1377055265 /nfs/dbraw/zinc/05/52/65/1377055265.db2.gz MTHZEUMTERQXAS-LEWJYISDSA-N 2 1 345.506 3.256 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CCc1ccc(CC)cc1 ZINC001135436954 1377096790 /nfs/dbraw/zinc/09/67/90/1377096790.db2.gz HMWRLZBYGKUTHY-UHFFFAOYSA-N 2 1 347.547 3.009 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001135437084 1377096870 /nfs/dbraw/zinc/09/68/70/1377096870.db2.gz NDZRJKDXXRAGTO-UHFFFAOYSA-N 2 1 333.520 3.021 20 0 EGADMP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+]2CCC(C)(C)C2)cc1 ZINC001135468155 1377107634 /nfs/dbraw/zinc/10/76/34/1377107634.db2.gz MZTSKVHEJGYKMJ-ZWKOTPCHSA-N 2 1 345.531 3.100 20 0 EGADMP Cc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+]2CCC(C)(C)C2)c1 ZINC001135468748 1377108310 /nfs/dbraw/zinc/10/83/10/1377108310.db2.gz SRZRYHCNFUQQAR-QZTJIDSGSA-N 2 1 345.531 3.100 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135475481 1377110254 /nfs/dbraw/zinc/11/02/54/1377110254.db2.gz BDUFOHLMQRDGQC-HOTGVXAUSA-N 2 1 325.541 3.027 20 0 EGADMP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001135478094 1377111707 /nfs/dbraw/zinc/11/17/07/1377111707.db2.gz YXLFJNRVFJCTSO-ZWKOTPCHSA-N 2 1 347.547 3.346 20 0 EGADMP CCCC(CCC)[N@@H+]1CCc2nnc(CN3CCCCC3)n2CC1 ZINC001257339874 1377114114 /nfs/dbraw/zinc/11/41/14/1377114114.db2.gz KEZXBSSZFMHKML-UHFFFAOYSA-N 2 1 333.524 3.091 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccsc1 ZINC001135584263 1377155226 /nfs/dbraw/zinc/15/52/26/1377155226.db2.gz MFMNKCIBRDMCPD-CABCVRRESA-N 2 1 348.516 3.141 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCCC1 ZINC001135678223 1377181407 /nfs/dbraw/zinc/18/14/07/1377181407.db2.gz DDTAEPJSLODXFT-HOTGVXAUSA-N 2 1 334.508 3.035 20 0 EGADMP CCc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[NH+](C)C)cc1 ZINC001135717630 1377193484 /nfs/dbraw/zinc/19/34/84/1377193484.db2.gz XNTWAPGRONMKKX-VQTJNVASSA-N 2 1 345.531 3.088 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001135860802 1377237873 /nfs/dbraw/zinc/23/78/73/1377237873.db2.gz HTIILQQYSMHHGH-MOPGFXCFSA-N 2 1 347.547 3.327 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1ccccc1C ZINC001135861051 1377238193 /nfs/dbraw/zinc/23/81/93/1377238193.db2.gz LTEGFGJGSXAVQS-OALUTQOASA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001135974836 1377283921 /nfs/dbraw/zinc/28/39/21/1377283921.db2.gz WKAMWKHWPQKIMK-QZTJIDSGSA-N 2 1 333.520 3.100 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135977276 1377284579 /nfs/dbraw/zinc/28/45/79/1377284579.db2.gz REOZLOLDAGVNHY-ROUUACIJSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC001135980513 1377285742 /nfs/dbraw/zinc/28/57/42/1377285742.db2.gz PIXLMJPTRHCTHB-KBPBESRZSA-N 2 1 339.549 3.080 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001135980533 1377286012 /nfs/dbraw/zinc/28/60/12/1377286012.db2.gz PPMKDANNEWQZOO-DLBZAZTESA-N 2 1 345.531 3.279 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001135995165 1377291681 /nfs/dbraw/zinc/29/16/81/1377291681.db2.gz AEPRCFIMTMIZGW-SJORKVTESA-N 2 1 327.557 3.418 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135997086 1377293124 /nfs/dbraw/zinc/29/31/24/1377293124.db2.gz YCWWRQJKNRKVAR-RBUKOAKNSA-N 2 1 347.547 3.408 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CC[NH2+]C(C)(C)C)C1 ZINC001136223927 1377365455 /nfs/dbraw/zinc/36/54/55/1377365455.db2.gz ZFXDVWDTZRURHK-QGZVFWFLSA-N 2 1 345.531 3.313 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001327309382 1388493915 /nfs/dbraw/zinc/49/39/15/1388493915.db2.gz VBHGRCDNTQQDIS-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP Cc1cccn2c(C[N@@H+](C3CCCC3)C3CCN(C)CC3)cnc12 ZINC001136967595 1377446975 /nfs/dbraw/zinc/44/69/75/1377446975.db2.gz JHYJFQYXDFDXPK-UHFFFAOYSA-N 2 1 326.488 3.482 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001269177689 1377542369 /nfs/dbraw/zinc/54/23/69/1377542369.db2.gz NPFCWHMCPQIIOP-FXAWDEMLSA-N 2 1 345.531 3.235 20 0 EGADMP COc1cccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001137535353 1377562461 /nfs/dbraw/zinc/56/24/61/1377562461.db2.gz JEVSSFAXINLCKJ-RBUKOAKNSA-N 2 1 337.467 3.044 20 0 EGADMP CC[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001270650775 1377609398 /nfs/dbraw/zinc/60/93/98/1377609398.db2.gz YFXNDDRNDGWBNL-FPOVZHCZSA-N 2 1 345.531 3.231 20 0 EGADMP Oc1cccnc1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001138393326 1377715714 /nfs/dbraw/zinc/71/57/14/1377715714.db2.gz VYUSQRFFWBVUSW-UHFFFAOYSA-N 2 1 343.496 3.337 20 0 EGADMP C[N@H+](Cc1ncccc1O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001138394013 1377716084 /nfs/dbraw/zinc/71/60/84/1377716084.db2.gz CIHREIXIMIPFFP-UHFFFAOYSA-N 2 1 325.456 3.131 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)CCNC(=O)OC(C)(C)C)cc1 ZINC001138543921 1377740086 /nfs/dbraw/zinc/74/00/86/1377740086.db2.gz ZWBJOESBSISTEF-UHFFFAOYSA-N 2 1 344.459 3.137 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)CCNC(=O)OC(C)(C)C)cc1 ZINC001138543921 1377740087 /nfs/dbraw/zinc/74/00/87/1377740087.db2.gz ZWBJOESBSISTEF-UHFFFAOYSA-N 2 1 344.459 3.137 20 0 EGADMP C[C@@H]1C(=O)CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C12CCCC2 ZINC001138774009 1377782331 /nfs/dbraw/zinc/78/23/31/1377782331.db2.gz WMAYKCPBDMKHHE-QGZVFWFLSA-N 2 1 344.499 3.351 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)s2)CC1 ZINC001139323617 1377868229 /nfs/dbraw/zinc/86/82/29/1377868229.db2.gz OVUUHRVSBQTKBK-RDJZCZTQSA-N 2 1 334.533 3.050 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)s2)CC1 ZINC001139323617 1377868233 /nfs/dbraw/zinc/86/82/33/1377868233.db2.gz OVUUHRVSBQTKBK-RDJZCZTQSA-N 2 1 334.533 3.050 20 0 EGADMP COCc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)s1 ZINC001139825490 1377957521 /nfs/dbraw/zinc/95/75/21/1377957521.db2.gz BAXXHIYVIMAEIX-UHFFFAOYSA-N 2 1 331.485 3.337 20 0 EGADMP C[N@H+](Cc1cnc(Cl)nc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001139992269 1377988370 /nfs/dbraw/zinc/98/83/70/1377988370.db2.gz XCODODKOCVYXNF-UHFFFAOYSA-N 2 1 344.890 3.474 20 0 EGADMP COCC[N@@H+](Cc1ccc(-c2ccncc2)cc1)C1CCN(C)CC1 ZINC001140172968 1378025370 /nfs/dbraw/zinc/02/53/70/1378025370.db2.gz JGUVWXIFFSXFFV-UHFFFAOYSA-N 2 1 339.483 3.291 20 0 EGADMP COCCN(Cc1ccc(-c2ccncc2)cc1)C1CC[NH+](C)CC1 ZINC001140172968 1378025373 /nfs/dbraw/zinc/02/53/73/1378025373.db2.gz JGUVWXIFFSXFFV-UHFFFAOYSA-N 2 1 339.483 3.291 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(C)c(O)cc2C)CC1 ZINC001140200671 1378030991 /nfs/dbraw/zinc/03/09/91/1378030991.db2.gz IZXHIGUFSXBMEX-UHFFFAOYSA-N 2 1 325.456 3.451 20 0 EGADMP COc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1OCC1CC1 ZINC001140490696 1378072482 /nfs/dbraw/zinc/07/24/82/1378072482.db2.gz ZUNYZIRMEISMRE-UHFFFAOYSA-N 2 1 332.488 3.402 20 0 EGADMP COc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1OCC1CC1 ZINC001140490696 1378072485 /nfs/dbraw/zinc/07/24/85/1378072485.db2.gz ZUNYZIRMEISMRE-UHFFFAOYSA-N 2 1 332.488 3.402 20 0 EGADMP CC/C=C\CCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273134366 1378088934 /nfs/dbraw/zinc/08/89/34/1378088934.db2.gz JUPMYSNCWCQUCF-CQQBRXBZSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)NC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1 ZINC001140615868 1378098448 /nfs/dbraw/zinc/09/84/48/1378098448.db2.gz JNHGVVSEERGMGM-UHFFFAOYSA-N 2 1 345.531 3.377 20 0 EGADMP CCCC[C@@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC1 ZINC001273363554 1378100150 /nfs/dbraw/zinc/10/01/50/1378100150.db2.gz NEZHHKWYXJJNIK-MVCQKVDPSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccc(CO)o3)C[C@@H]21 ZINC001140681871 1378113340 /nfs/dbraw/zinc/11/33/40/1378113340.db2.gz NEKURGCAVUSDGZ-ACRUOGEOSA-N 2 1 340.467 3.382 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccc(CO)o3)C[C@@H]21 ZINC001140681871 1378113344 /nfs/dbraw/zinc/11/33/44/1378113344.db2.gz NEKURGCAVUSDGZ-ACRUOGEOSA-N 2 1 340.467 3.382 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(CO)o3)C[C@@H]21 ZINC001140681871 1378113347 /nfs/dbraw/zinc/11/33/47/1378113347.db2.gz NEKURGCAVUSDGZ-ACRUOGEOSA-N 2 1 340.467 3.382 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(CO)o3)C[C@@H]21 ZINC001140681871 1378113351 /nfs/dbraw/zinc/11/33/51/1378113351.db2.gz NEKURGCAVUSDGZ-ACRUOGEOSA-N 2 1 340.467 3.382 20 0 EGADMP Cn1cnc2ccc(C[N@@H+](C3CCCC3)C3CCN(C)CC3)cc21 ZINC001140743093 1378128568 /nfs/dbraw/zinc/12/85/68/1378128568.db2.gz XXJDSXQAWMVLON-UHFFFAOYSA-N 2 1 326.488 3.412 20 0 EGADMP Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CCC[NH+](C)C)c(C)c1 ZINC001275135847 1378134490 /nfs/dbraw/zinc/13/44/90/1378134490.db2.gz ODLVRDFVGXHZJB-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP O=c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC(F)(F)F)[nH]1 ZINC001275165819 1378137094 /nfs/dbraw/zinc/13/70/94/1378137094.db2.gz LNQUAUXVZDXLQQ-GOOCMWNKSA-N 2 1 343.393 3.215 20 0 EGADMP O=c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC(F)(F)F)[nH]1 ZINC001275165819 1378137098 /nfs/dbraw/zinc/13/70/98/1378137098.db2.gz LNQUAUXVZDXLQQ-GOOCMWNKSA-N 2 1 343.393 3.215 20 0 EGADMP C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140975121 1378197229 /nfs/dbraw/zinc/19/72/29/1378197229.db2.gz NSYXAOZAGJBHTA-SFHVURJKSA-N 2 1 335.495 3.385 20 0 EGADMP CC(C)Sc1nccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)n1 ZINC001277348042 1378218152 /nfs/dbraw/zinc/21/81/52/1378218152.db2.gz RBWLWVVHJCTCOE-UHFFFAOYSA-N 2 1 334.533 3.285 20 0 EGADMP CC(C)Sc1nccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)n1 ZINC001277348042 1378218157 /nfs/dbraw/zinc/21/81/57/1378218157.db2.gz RBWLWVVHJCTCOE-UHFFFAOYSA-N 2 1 334.533 3.285 20 0 EGADMP CCCC[C@H](CC)C[N@@H+]1CCC2(C[NH+](CCCCCC(N)=O)C2)C1 ZINC001278218073 1378264511 /nfs/dbraw/zinc/26/45/11/1378264511.db2.gz RYOVQMDMGCGTFQ-SFHVURJKSA-N 2 1 337.552 3.256 20 0 EGADMP CCCC[C@H](CC)C[N@H+]1CCC2(C[NH+](CCCCCC(N)=O)C2)C1 ZINC001278218073 1378264518 /nfs/dbraw/zinc/26/45/18/1378264518.db2.gz RYOVQMDMGCGTFQ-SFHVURJKSA-N 2 1 337.552 3.256 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC001141284568 1378291091 /nfs/dbraw/zinc/29/10/91/1378291091.db2.gz DDPGOFBITHNPTK-WOJBJXKFSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC001280770504 1378372472 /nfs/dbraw/zinc/37/24/72/1378372472.db2.gz QYGFMAOYSRJMEB-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(F)c2)CC1 ZINC001280770504 1378372476 /nfs/dbraw/zinc/37/24/76/1378372476.db2.gz QYGFMAOYSRJMEB-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2cccc(F)c2)CC1 ZINC001280770504 1378372478 /nfs/dbraw/zinc/37/24/78/1378372478.db2.gz QYGFMAOYSRJMEB-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001142204624 1378420118 /nfs/dbraw/zinc/42/01/18/1378420118.db2.gz IFNOVQNZGQRWJX-OALUTQOASA-N 2 1 344.499 3.416 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@H]2CCCCC[N@H+]2CC2CCCC2)CC1 ZINC001282678501 1378551803 /nfs/dbraw/zinc/55/18/03/1378551803.db2.gz UPZUDJFEBIBPOP-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc(O)cn1)CC2 ZINC001144259887 1378706175 /nfs/dbraw/zinc/70/61/75/1378706175.db2.gz TXAOKMHUQNLJSJ-LJQANCHMSA-N 2 1 341.455 3.257 20 0 EGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC001144431021 1378731154 /nfs/dbraw/zinc/73/11/54/1378731154.db2.gz MHTISZCDZJURCE-UHFFFAOYSA-N 2 1 339.483 3.434 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001283324543 1378808027 /nfs/dbraw/zinc/80/80/27/1378808027.db2.gz AKFNNBOLGSOFJY-QGZVFWFLSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)[C@H](C)c2cccc(C)c2)CC1 ZINC001283339945 1378822781 /nfs/dbraw/zinc/82/27/81/1378822781.db2.gz ATTBJYRZRXKTJB-GOSISDBHSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@H+](C)[C@H](C)c2cccc(C)c2)CC1 ZINC001283339945 1378822792 /nfs/dbraw/zinc/82/27/92/1378822792.db2.gz ATTBJYRZRXKTJB-GOSISDBHSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](C)[C@H](C)c2cccc(C)c2)CC1 ZINC001283339945 1378822799 /nfs/dbraw/zinc/82/27/99/1378822799.db2.gz ATTBJYRZRXKTJB-GOSISDBHSA-N 2 1 345.531 3.321 20 0 EGADMP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1C ZINC001146593895 1378873197 /nfs/dbraw/zinc/87/31/97/1378873197.db2.gz RDFMGBRRELMANL-MSOLQXFVSA-N 2 1 333.520 3.017 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001146592731 1378873766 /nfs/dbraw/zinc/87/37/66/1378873766.db2.gz KXOJQUYTXBKGQW-IRXDYDNUSA-N 2 1 325.541 3.170 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706326 1378902457 /nfs/dbraw/zinc/90/24/57/1378902457.db2.gz CRKPSMQOBOGAOP-ZWKOTPCHSA-N 2 1 345.531 3.182 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706326 1378902459 /nfs/dbraw/zinc/90/24/59/1378902459.db2.gz CRKPSMQOBOGAOP-ZWKOTPCHSA-N 2 1 345.531 3.182 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1c(C)cc(C(C)(C)C)cc1C ZINC001146709744 1378904922 /nfs/dbraw/zinc/90/49/22/1378904922.db2.gz CHWQSFGJFNQOEM-UHFFFAOYSA-N 2 1 347.547 3.149 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001146933302 1378945268 /nfs/dbraw/zinc/94/52/68/1378945268.db2.gz GXYLVCPXYKKTDH-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001146933298 1378945402 /nfs/dbraw/zinc/94/54/02/1378945402.db2.gz GXYLVCPXYKKTDH-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C)ccc1C ZINC001147348922 1379007593 /nfs/dbraw/zinc/00/75/93/1379007593.db2.gz JVVDVTMTYGKBLT-FQEVSTJZSA-N 2 1 345.531 3.164 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001147359995 1379009385 /nfs/dbraw/zinc/00/93/85/1379009385.db2.gz YXGOQTOEUDYBQI-FQEVSTJZSA-N 2 1 345.531 3.164 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC[C@H]1CCC[C@@H](C)C1)C2 ZINC001148551730 1379209803 /nfs/dbraw/zinc/20/98/03/1379209803.db2.gz STHWUJTWDCOQGF-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CC[C@H]1CCC[C@@H](C)C1)C2 ZINC001148551730 1379209806 /nfs/dbraw/zinc/20/98/06/1379209806.db2.gz STHWUJTWDCOQGF-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CC[C@H]1CCC[C@@H](C)C1)C2 ZINC001148551730 1379209812 /nfs/dbraw/zinc/20/98/12/1379209812.db2.gz STHWUJTWDCOQGF-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC2(C1)CC[N@@H+](CCCC1CCCC1)C2 ZINC001148636365 1379231258 /nfs/dbraw/zinc/23/12/58/1379231258.db2.gz VDNSCNVRXJVKBH-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC/C=C\CC[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001148777132 1379266229 /nfs/dbraw/zinc/26/62/29/1379266229.db2.gz ACYFFXNHCYHVPN-ARJAWSKDSA-N 2 1 347.547 3.143 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001152432903 1379933730 /nfs/dbraw/zinc/93/37/30/1379933730.db2.gz PVYMUTHWFPIOKS-LBPRGKRZSA-N 2 1 346.302 3.100 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC1CCC(C)(C)CC1)c1ccccc1 ZINC001152528326 1379945660 /nfs/dbraw/zinc/94/56/60/1379945660.db2.gz DJOIDKHGKCIIFX-LJQANCHMSA-N 2 1 345.531 3.212 20 0 EGADMP CCc1nccn1[C@@H](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCC1 ZINC001153433138 1380076165 /nfs/dbraw/zinc/07/61/65/1380076165.db2.gz SLYOYEMXBKWIQX-DLBZAZTESA-N 2 1 348.535 3.413 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC1CCCC1 ZINC001153433138 1380076170 /nfs/dbraw/zinc/07/61/70/1380076170.db2.gz SLYOYEMXBKWIQX-DLBZAZTESA-N 2 1 348.535 3.413 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCC1 ZINC001153433138 1380076177 /nfs/dbraw/zinc/07/61/77/1380076177.db2.gz SLYOYEMXBKWIQX-DLBZAZTESA-N 2 1 348.535 3.413 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CCCCC1 ZINC001153721030 1380118940 /nfs/dbraw/zinc/11/89/40/1380118940.db2.gz RLEFHBJNPFPNPF-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC1CCCCC1 ZINC001153721030 1380118941 /nfs/dbraw/zinc/11/89/41/1380118941.db2.gz RLEFHBJNPFPNPF-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCCC1 ZINC001153721030 1380118943 /nfs/dbraw/zinc/11/89/43/1380118943.db2.gz RLEFHBJNPFPNPF-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@@H]1CCCc2nccn21 ZINC001153818977 1380136062 /nfs/dbraw/zinc/13/60/62/1380136062.db2.gz IOLZNQGGNYUGFF-AEFFLSMTSA-N 2 1 346.519 3.167 20 0 EGADMP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153818977 1380136063 /nfs/dbraw/zinc/13/60/63/1380136063.db2.gz IOLZNQGGNYUGFF-AEFFLSMTSA-N 2 1 346.519 3.167 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153818977 1380136064 /nfs/dbraw/zinc/13/60/64/1380136064.db2.gz IOLZNQGGNYUGFF-AEFFLSMTSA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2nccn21 ZINC001153818936 1380136123 /nfs/dbraw/zinc/13/61/23/1380136123.db2.gz GUVYSAUNYCRLLC-NVXWUHKLSA-N 2 1 334.508 3.023 20 0 EGADMP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153818936 1380136124 /nfs/dbraw/zinc/13/61/24/1380136124.db2.gz GUVYSAUNYCRLLC-NVXWUHKLSA-N 2 1 334.508 3.023 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153818936 1380136125 /nfs/dbraw/zinc/13/61/25/1380136125.db2.gz GUVYSAUNYCRLLC-NVXWUHKLSA-N 2 1 334.508 3.023 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153819004 1380136127 /nfs/dbraw/zinc/13/61/27/1380136127.db2.gz JWFKOCIZKBAQBI-TYFAACHXSA-N 2 1 337.552 3.432 20 0 EGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001153819004 1380136128 /nfs/dbraw/zinc/13/61/28/1380136128.db2.gz JWFKOCIZKBAQBI-TYFAACHXSA-N 2 1 337.552 3.432 20 0 EGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001153819004 1380136129 /nfs/dbraw/zinc/13/61/29/1380136129.db2.gz JWFKOCIZKBAQBI-TYFAACHXSA-N 2 1 337.552 3.432 20 0 EGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153823941 1380137399 /nfs/dbraw/zinc/13/73/99/1380137399.db2.gz FNIUXALXGCTPFS-VQIMIIECSA-N 2 1 335.536 3.044 20 0 EGADMP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854525 1380144449 /nfs/dbraw/zinc/14/44/49/1380144449.db2.gz HHGLERHLVFFOHT-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153854525 1380144451 /nfs/dbraw/zinc/14/44/51/1380144451.db2.gz HHGLERHLVFFOHT-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153854525 1380144453 /nfs/dbraw/zinc/14/44/53/1380144453.db2.gz HHGLERHLVFFOHT-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(C)c1 ZINC001154069446 1380197972 /nfs/dbraw/zinc/19/79/72/1380197972.db2.gz FHCQTSIOINWPNP-QGZVFWFLSA-N 2 1 333.520 3.052 20 0 EGADMP CC[NH+](Cc1cccc(C)c1)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154069446 1380197977 /nfs/dbraw/zinc/19/79/77/1380197977.db2.gz FHCQTSIOINWPNP-QGZVFWFLSA-N 2 1 333.520 3.052 20 0 EGADMP CC[NH+](Cc1cccc(C)c1)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154069446 1380197983 /nfs/dbraw/zinc/19/79/83/1380197983.db2.gz FHCQTSIOINWPNP-QGZVFWFLSA-N 2 1 333.520 3.052 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1C ZINC001154069633 1380198471 /nfs/dbraw/zinc/19/84/71/1380198471.db2.gz JTLHYUWAKYYJIT-QGZVFWFLSA-N 2 1 333.520 3.052 20 0 EGADMP CC[NH+](Cc1ccccc1C)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154069633 1380198473 /nfs/dbraw/zinc/19/84/73/1380198473.db2.gz JTLHYUWAKYYJIT-QGZVFWFLSA-N 2 1 333.520 3.052 20 0 EGADMP CC[NH+](Cc1ccccc1C)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154069633 1380198476 /nfs/dbraw/zinc/19/84/76/1380198476.db2.gz JTLHYUWAKYYJIT-QGZVFWFLSA-N 2 1 333.520 3.052 20 0 EGADMP CC[N@@H+](CC1CC(C)C1)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116917 1380211847 /nfs/dbraw/zinc/21/18/47/1380211847.db2.gz ZBYQMDXIXRRFTR-ISXOHVOVSA-N 2 1 342.487 3.129 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154122500 1380212612 /nfs/dbraw/zinc/21/26/12/1380212612.db2.gz DGFVKOSGIBBLHE-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001154122500 1380212614 /nfs/dbraw/zinc/21/26/14/1380212614.db2.gz DGFVKOSGIBBLHE-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001154122500 1380212617 /nfs/dbraw/zinc/21/26/17/1380212617.db2.gz DGFVKOSGIBBLHE-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154347906 1380261258 /nfs/dbraw/zinc/26/12/58/1380261258.db2.gz NTZOZQGPUFCKRL-MRXNPFEDSA-N 2 1 342.487 3.355 20 0 EGADMP CC[N@@H+](Cc1ccccc1C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844721 1380363478 /nfs/dbraw/zinc/36/34/78/1380363478.db2.gz WMGLGJLNUURADJ-OTWHNJEPSA-N 2 1 345.531 3.052 20 0 EGADMP CC[NH+](Cc1ccccc1C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001154844721 1380363481 /nfs/dbraw/zinc/36/34/81/1380363481.db2.gz WMGLGJLNUURADJ-OTWHNJEPSA-N 2 1 345.531 3.052 20 0 EGADMP CC[NH+](Cc1ccccc1C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001154844721 1380363486 /nfs/dbraw/zinc/36/34/86/1380363486.db2.gz WMGLGJLNUURADJ-OTWHNJEPSA-N 2 1 345.531 3.052 20 0 EGADMP CC[N@@H+](Cc1ccsc1)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888898 1380373686 /nfs/dbraw/zinc/37/36/86/1380373686.db2.gz ZNZKZUNLEXASPC-CQSZACIVSA-N 2 1 349.500 3.043 20 0 EGADMP CC[N@@H+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005185 1380389095 /nfs/dbraw/zinc/38/90/95/1380389095.db2.gz HYGGBDCRUVLXSQ-QGZVFWFLSA-N 2 1 333.520 3.088 20 0 EGADMP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155023594 1380393087 /nfs/dbraw/zinc/39/30/87/1380393087.db2.gz KXXNHFAYPRPOKR-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCC1)[NH+](CC)CC ZINC001155180845 1380420256 /nfs/dbraw/zinc/42/02/56/1380420256.db2.gz SYAMIHWEIMTCFJ-SJLPKXTDSA-N 2 1 325.541 3.124 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001155180870 1380420308 /nfs/dbraw/zinc/42/03/08/1380420308.db2.gz VABSHHKYUYOQIP-AEFFLSMTSA-N 2 1 327.557 3.370 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263898 1380430148 /nfs/dbraw/zinc/43/01/48/1380430148.db2.gz XKJQAUMENVTIDF-QXPKXGMISA-N 2 1 325.541 3.147 20 0 EGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001155263898 1380430149 /nfs/dbraw/zinc/43/01/49/1380430149.db2.gz XKJQAUMENVTIDF-QXPKXGMISA-N 2 1 325.541 3.147 20 0 EGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001155263898 1380430150 /nfs/dbraw/zinc/43/01/50/1380430150.db2.gz XKJQAUMENVTIDF-QXPKXGMISA-N 2 1 325.541 3.147 20 0 EGADMP [NH3+][C@H]1Cc2ccccc2N(c2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001155299533 1380434806 /nfs/dbraw/zinc/43/48/06/1380434806.db2.gz PWAKXKBKMXWCMV-INIZCTEOSA-N 2 1 342.874 3.352 20 0 EGADMP Cc1cccc2cc(Cl)nc(N3CCC[C@H]([NH+]4CC(C[NH3+])C4)C3)c12 ZINC001155382041 1380444101 /nfs/dbraw/zinc/44/41/01/1380444101.db2.gz KQBHDSOAMFWBKT-INIZCTEOSA-N 2 1 344.890 3.056 20 0 EGADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C)c1cccc2ccccc21 ZINC001155803040 1380493226 /nfs/dbraw/zinc/49/32/26/1380493226.db2.gz VUBDAOOIGNXEQY-UZLBHIALSA-N 2 1 339.483 3.091 20 0 EGADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001156319618 1380558041 /nfs/dbraw/zinc/55/80/41/1380558041.db2.gz ZKNOEEYNUFAROO-UYAOXDASSA-N 2 1 345.531 3.472 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC=C(C)C)c1ccccc1 ZINC001156319618 1380558043 /nfs/dbraw/zinc/55/80/43/1380558043.db2.gz ZKNOEEYNUFAROO-UYAOXDASSA-N 2 1 345.531 3.472 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C)c1ccccc1 ZINC001156319618 1380558044 /nfs/dbraw/zinc/55/80/44/1380558044.db2.gz ZKNOEEYNUFAROO-UYAOXDASSA-N 2 1 345.531 3.472 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001156319160 1380558105 /nfs/dbraw/zinc/55/81/05/1380558105.db2.gz OMUQUMAFMYOUMM-MJGOQNOKSA-N 2 1 333.520 3.306 20 0 EGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001156319160 1380558107 /nfs/dbraw/zinc/55/81/07/1380558107.db2.gz OMUQUMAFMYOUMM-MJGOQNOKSA-N 2 1 333.520 3.306 20 0 EGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001156319160 1380558108 /nfs/dbraw/zinc/55/81/08/1380558108.db2.gz OMUQUMAFMYOUMM-MJGOQNOKSA-N 2 1 333.520 3.306 20 0 EGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475705 1380580991 /nfs/dbraw/zinc/58/09/91/1380580991.db2.gz QUOSWUAICATYGO-LJQANCHMSA-N 2 1 347.547 3.362 20 0 EGADMP CC[N@@H+](CCCc1ccccc1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475770 1380581248 /nfs/dbraw/zinc/58/12/48/1380581248.db2.gz TXMGMBSMGHANOK-LJQANCHMSA-N 2 1 347.547 3.178 20 0 EGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001157110013 1380778988 /nfs/dbraw/zinc/77/89/88/1380778988.db2.gz XRCCJIJXDBMCEU-RTBURBONSA-N 2 1 337.552 3.290 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157255791 1380824791 /nfs/dbraw/zinc/82/47/91/1380824791.db2.gz LLJJRTMYGNQKMD-OVKVCFKUSA-N 2 1 337.552 3.435 20 0 EGADMP CC1(Nc2[nH+]cnc3c2ccn3Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001157401367 1380869852 /nfs/dbraw/zinc/86/98/52/1380869852.db2.gz FQEZEBAYKHDCSV-UHFFFAOYSA-N 2 1 339.418 3.173 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001157950951 1381079156 /nfs/dbraw/zinc/07/91/56/1381079156.db2.gz LQSATPWMNXSTPN-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157950951 1381079159 /nfs/dbraw/zinc/07/91/59/1381079159.db2.gz LQSATPWMNXSTPN-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157950951 1381079164 /nfs/dbraw/zinc/07/91/64/1381079164.db2.gz LQSATPWMNXSTPN-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001158038602 1381109830 /nfs/dbraw/zinc/10/98/30/1381109830.db2.gz QAFKPHOVKVNEQU-MOPGFXCFSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001158061656 1381116601 /nfs/dbraw/zinc/11/66/01/1381116601.db2.gz QSPDSODZXIHRQV-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001158061656 1381116604 /nfs/dbraw/zinc/11/66/04/1381116604.db2.gz QSPDSODZXIHRQV-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP Cc1cncn1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001158227493 1381166071 /nfs/dbraw/zinc/16/60/71/1381166071.db2.gz KFNUORORUIFGCN-GOSISDBHSA-N 2 1 348.535 3.331 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC(C)(C)C ZINC001158227493 1381166076 /nfs/dbraw/zinc/16/60/76/1381166076.db2.gz KFNUORORUIFGCN-GOSISDBHSA-N 2 1 348.535 3.331 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001158227493 1381166079 /nfs/dbraw/zinc/16/60/79/1381166079.db2.gz KFNUORORUIFGCN-GOSISDBHSA-N 2 1 348.535 3.331 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC1CCC1 ZINC001158228163 1381167445 /nfs/dbraw/zinc/16/74/45/1381167445.db2.gz WYEVOLLVQJOMPH-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC1CCC1 ZINC001158228163 1381167449 /nfs/dbraw/zinc/16/74/49/1381167449.db2.gz WYEVOLLVQJOMPH-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1ccc2c(c1)nc(Cl)cc2N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158260363 1381176566 /nfs/dbraw/zinc/17/65/66/1381176566.db2.gz CKJNYAGPSNDJOK-CQSZACIVSA-N 2 1 344.890 3.198 20 0 EGADMP Cc1ccc2c(c1)nc(Cl)cc2N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158260363 1381176571 /nfs/dbraw/zinc/17/65/71/1381176571.db2.gz CKJNYAGPSNDJOK-CQSZACIVSA-N 2 1 344.890 3.198 20 0 EGADMP Cc1nc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC001158265181 1381177577 /nfs/dbraw/zinc/17/75/77/1381177577.db2.gz FSXQSQTUTFHNFK-KXBFYZLASA-N 2 1 331.508 3.341 20 0 EGADMP C[NH+](CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC1)C1CCCCC1 ZINC001158282870 1381184170 /nfs/dbraw/zinc/18/41/70/1381184170.db2.gz CBZMAGPTUCPSEE-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001158282870 1381184176 /nfs/dbraw/zinc/18/41/76/1381184176.db2.gz CBZMAGPTUCPSEE-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001158282870 1381184180 /nfs/dbraw/zinc/18/41/80/1381184180.db2.gz CBZMAGPTUCPSEE-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158329502 1381202221 /nfs/dbraw/zinc/20/22/21/1381202221.db2.gz OTABXTQWMULHJI-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001158329502 1381202224 /nfs/dbraw/zinc/20/22/24/1381202224.db2.gz OTABXTQWMULHJI-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001158329502 1381202232 /nfs/dbraw/zinc/20/22/32/1381202232.db2.gz OTABXTQWMULHJI-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158444535 1381246719 /nfs/dbraw/zinc/24/67/19/1381246719.db2.gz APWMUXMSUVYUKA-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158438603 1381247328 /nfs/dbraw/zinc/24/73/28/1381247328.db2.gz ZRCOAGAYZLTBIE-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@@H]1C[N@@H+](C)C/C=C\Cl)CC(C)(C)C ZINC001158480984 1381260911 /nfs/dbraw/zinc/26/09/11/1381260911.db2.gz USOKSISCOIOELS-SIJIIQCFSA-N 2 1 343.943 3.030 20 0 EGADMP C[NH+](C/C=C\Cl)C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001158480984 1381260919 /nfs/dbraw/zinc/26/09/19/1381260919.db2.gz USOKSISCOIOELS-SIJIIQCFSA-N 2 1 343.943 3.030 20 0 EGADMP C[NH+](C/C=C\Cl)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001158480984 1381260923 /nfs/dbraw/zinc/26/09/23/1381260923.db2.gz USOKSISCOIOELS-SIJIIQCFSA-N 2 1 343.943 3.030 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C)[NH+](C)C ZINC001158487176 1381263652 /nfs/dbraw/zinc/26/36/52/1381263652.db2.gz VZNADNYMICGRAP-MSOLQXFVSA-N 2 1 339.568 3.466 20 0 EGADMP CC(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001158549338 1381292093 /nfs/dbraw/zinc/29/20/93/1381292093.db2.gz CKDZLIBNMUZHTM-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP Cc1cccc2cc[nH+]c(N(C3CC[NH2+]CC3)C3CC[NH+](C)CC3)c12 ZINC001158589465 1381310375 /nfs/dbraw/zinc/31/03/75/1381310375.db2.gz RQWXKEFOIPMCLX-UHFFFAOYSA-N 3 1 338.499 3.196 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCCC1 ZINC001158616102 1381322815 /nfs/dbraw/zinc/32/28/15/1381322815.db2.gz BFBLCJHFIVHXSN-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001158646094 1381335407 /nfs/dbraw/zinc/33/54/07/1381335407.db2.gz GJCDEBOQXQMDBN-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001328285083 1388715062 /nfs/dbraw/zinc/71/50/62/1388715062.db2.gz QLMVCTXPJSPDEY-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158852323 1381433288 /nfs/dbraw/zinc/43/32/88/1381433288.db2.gz BCNKBHHZWWXMFH-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)[C@@H](C)c1ccccc1 ZINC001158922616 1381464678 /nfs/dbraw/zinc/46/46/78/1381464678.db2.gz FWAAFBMPZHYVBY-AZUAARDMSA-N 2 1 345.531 3.401 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1ccccc1 ZINC001158922616 1381464685 /nfs/dbraw/zinc/46/46/85/1381464685.db2.gz FWAAFBMPZHYVBY-AZUAARDMSA-N 2 1 345.531 3.401 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001158922616 1381464688 /nfs/dbraw/zinc/46/46/88/1381464688.db2.gz FWAAFBMPZHYVBY-AZUAARDMSA-N 2 1 345.531 3.401 20 0 EGADMP C[N@@H+](CCC1CC1)C[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001158949008 1381479304 /nfs/dbraw/zinc/47/93/04/1381479304.db2.gz DKOWCHOEYKINIM-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC001328401201 1388737435 /nfs/dbraw/zinc/73/74/35/1388737435.db2.gz UQPMRFRYBSFDMN-HRCADAONSA-N 2 1 334.533 3.001 20 0 EGADMP Brc1ccc2[nH+]cc(Nc3cccc4c3CC[NH2+]C4)n2c1 ZINC001159203958 1381729706 /nfs/dbraw/zinc/72/97/06/1381729706.db2.gz NCZXLDFBHIFTMG-UHFFFAOYSA-N 2 1 343.228 3.486 20 0 EGADMP c1cc(C2([NH+]3CCOCC3)CC2)ccc1Nc1ccc2c(c1)C[NH2+]CC2 ZINC001159615832 1381849495 /nfs/dbraw/zinc/84/94/95/1381849495.db2.gz LQXYAUQFFOQXNK-UHFFFAOYSA-N 2 1 349.478 3.397 20 0 EGADMP Cc1ccc(C[NH2+]CCCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001159911044 1381934775 /nfs/dbraw/zinc/93/47/75/1381934775.db2.gz WUYZLFZTSPKUPK-FQEVSTJZSA-N 2 1 345.531 3.162 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119748 1382003214 /nfs/dbraw/zinc/00/32/14/1382003214.db2.gz HUPQEFFNCKTJPS-KKHYBRAUSA-N 2 1 347.547 3.354 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160119748 1382003219 /nfs/dbraw/zinc/00/32/19/1382003219.db2.gz HUPQEFFNCKTJPS-KKHYBRAUSA-N 2 1 347.547 3.354 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160119748 1382003223 /nfs/dbraw/zinc/00/32/23/1382003223.db2.gz HUPQEFFNCKTJPS-KKHYBRAUSA-N 2 1 347.547 3.354 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC1=CC[N@H+](CC(C)C)CC1 ZINC001160168891 1382023304 /nfs/dbraw/zinc/02/33/04/1382023304.db2.gz CENDAMZPONLZJF-KRWDZBQOSA-N 2 1 346.519 3.191 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC1=CC[N@@H+](CC(C)C)CC1 ZINC001160168891 1382023307 /nfs/dbraw/zinc/02/33/07/1382023307.db2.gz CENDAMZPONLZJF-KRWDZBQOSA-N 2 1 346.519 3.191 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175131 1382025375 /nfs/dbraw/zinc/02/53/75/1382025375.db2.gz AYCRDKZHJSYJGR-IEBWSBKVSA-N 2 1 335.536 3.045 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175131 1382025381 /nfs/dbraw/zinc/02/53/81/1382025381.db2.gz AYCRDKZHJSYJGR-IEBWSBKVSA-N 2 1 335.536 3.045 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175131 1382025383 /nfs/dbraw/zinc/02/53/83/1382025383.db2.gz AYCRDKZHJSYJGR-IEBWSBKVSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001160274452 1382057828 /nfs/dbraw/zinc/05/78/28/1382057828.db2.gz SMFBSNULEVFCNA-OALUTQOASA-N 2 1 331.504 3.108 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160360074 1382083114 /nfs/dbraw/zinc/08/31/14/1382083114.db2.gz IENLELMBZAJAFF-UHFFFAOYSA-N 2 1 335.536 3.189 20 0 EGADMP c1ccc(C[N@H+]2CCC=C(Nc3cccc4c3[C@@H]3C[NH2+]C[C@@H]3O4)C2)cc1 ZINC001160394262 1382092525 /nfs/dbraw/zinc/09/25/25/1382092525.db2.gz GTBZYJMNJAKCNF-NQIIRXRSSA-N 2 1 347.462 3.336 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160406262 1382095808 /nfs/dbraw/zinc/09/58/08/1382095808.db2.gz MCYIUOXRZNGMFF-IBGZPJMESA-N 2 1 337.552 3.147 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001160501065 1382125422 /nfs/dbraw/zinc/12/54/22/1382125422.db2.gz VTAFJPDVJPDQFJ-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001160501065 1382125426 /nfs/dbraw/zinc/12/54/26/1382125426.db2.gz VTAFJPDVJPDQFJ-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001160501065 1382125430 /nfs/dbraw/zinc/12/54/30/1382125430.db2.gz VTAFJPDVJPDQFJ-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)(C)CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160857239 1382218210 /nfs/dbraw/zinc/21/82/10/1382218210.db2.gz WQSCNJMDCWZOTE-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC2=CC[NH+](C[C@@H](C)CC)CC2)C1 ZINC001160986055 1382261600 /nfs/dbraw/zinc/26/16/00/1382261600.db2.gz LLZYSKTWUVRXLG-ICSRJNTNSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCCC2=CC[N@H+](C[C@@H](C)CC)CC2)C1 ZINC001160986055 1382261606 /nfs/dbraw/zinc/26/16/06/1382261606.db2.gz LLZYSKTWUVRXLG-ICSRJNTNSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCCC2=CC[N@@H+](C[C@@H](C)CC)CC2)C1 ZINC001160986055 1382261610 /nfs/dbraw/zinc/26/16/10/1382261610.db2.gz LLZYSKTWUVRXLG-ICSRJNTNSA-N 2 1 349.563 3.293 20 0 EGADMP C[NH+](C)CCCC(=O)NCCC1=CC[N@@H+](CCC2=CCCCC2)CC1 ZINC001161028996 1382276552 /nfs/dbraw/zinc/27/65/52/1382276552.db2.gz JJDUWVZBWFGDHE-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC1=CC[NH+](CC2=CCCCC2)CC1 ZINC001161206455 1382340040 /nfs/dbraw/zinc/34/00/40/1382340040.db2.gz JSGOAKVJHYTROH-SFHVURJKSA-N 2 1 345.531 3.110 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@H+](CC2=CCCCC2)CC1 ZINC001161206455 1382340044 /nfs/dbraw/zinc/34/00/44/1382340044.db2.gz JSGOAKVJHYTROH-SFHVURJKSA-N 2 1 345.531 3.110 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@@H+](CC2=CCCCC2)CC1 ZINC001161206455 1382340048 /nfs/dbraw/zinc/34/00/48/1382340048.db2.gz JSGOAKVJHYTROH-SFHVURJKSA-N 2 1 345.531 3.110 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NCCC2=CC[N@H+](CCCC(C)(C)C)CC2)C1 ZINC001161219286 1382345841 /nfs/dbraw/zinc/34/58/41/1382345841.db2.gz BCJSRVPGQGWXNX-SFHVURJKSA-N 2 1 349.563 3.293 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NCCC2=CC[N@@H+](CCCC(C)(C)C)CC2)C1 ZINC001161219286 1382345843 /nfs/dbraw/zinc/34/58/43/1382345843.db2.gz BCJSRVPGQGWXNX-SFHVURJKSA-N 2 1 349.563 3.293 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161219876 1382346042 /nfs/dbraw/zinc/34/60/42/1382346042.db2.gz OZVQQAGECFIZFG-BQYQJAHWSA-N 2 1 349.563 3.459 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001161220194 1382347294 /nfs/dbraw/zinc/34/72/94/1382347294.db2.gz YMMQKPBCAPMCQP-MOPGFXCFSA-N 2 1 349.563 3.149 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001161524858 1382430319 /nfs/dbraw/zinc/43/03/19/1382430319.db2.gz OWRYJEJWEBAPOD-KURKYZTESA-N 2 1 349.563 3.172 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](C(C)C)CC1 ZINC001161678937 1382478503 /nfs/dbraw/zinc/47/85/03/1382478503.db2.gz PFKOCNFAHFBHBJ-IBGZPJMESA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](C(C)C)CC1 ZINC001161678937 1382478504 /nfs/dbraw/zinc/47/85/04/1382478504.db2.gz PFKOCNFAHFBHBJ-IBGZPJMESA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](C(C)C)CC1 ZINC001161678937 1382478505 /nfs/dbraw/zinc/47/85/05/1382478505.db2.gz PFKOCNFAHFBHBJ-IBGZPJMESA-N 2 1 335.536 3.188 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001161758562 1382496764 /nfs/dbraw/zinc/49/67/64/1382496764.db2.gz GTMLTDKLUBXIBM-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001161758562 1382496765 /nfs/dbraw/zinc/49/67/65/1382496765.db2.gz GTMLTDKLUBXIBM-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@@H+](CC2CCCCC2)CC1 ZINC001161758562 1382496766 /nfs/dbraw/zinc/49/67/66/1382496766.db2.gz GTMLTDKLUBXIBM-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001161952025 1382567787 /nfs/dbraw/zinc/56/77/87/1382567787.db2.gz ANBFIVRFNIMZBC-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(NC[C@H]2C[NH2+]CC(C)(C)O2)nc1 ZINC001161956886 1382570568 /nfs/dbraw/zinc/57/05/68/1382570568.db2.gz UPLFUXINPDSQAN-QZTJIDSGSA-N 2 1 346.519 3.198 20 0 EGADMP O[C@H](CNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1)c1ccco1 ZINC001162258488 1382707244 /nfs/dbraw/zinc/70/72/44/1382707244.db2.gz QXAKPRKZKRJPLE-MAUKXSAKSA-N 2 1 340.427 3.089 20 0 EGADMP CSc1nc(N[C@@H]2C[NH2+]Cc3ccsc32)cc(N2CCCC2)[nH+]1 ZINC001163221169 1382996477 /nfs/dbraw/zinc/99/64/77/1382996477.db2.gz NKHODRDUZBHNOP-GFCCVEGCSA-N 2 1 347.513 3.117 20 0 EGADMP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@@H]([NH3+])C2)nc1 ZINC001164326340 1383178016 /nfs/dbraw/zinc/17/80/16/1383178016.db2.gz DGLUKBMNPBJONS-CVEARBPZSA-N 2 1 338.446 3.191 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@@H]([NH3+])C2)nc1 ZINC001164326340 1383178017 /nfs/dbraw/zinc/17/80/17/1383178017.db2.gz DGLUKBMNPBJONS-CVEARBPZSA-N 2 1 338.446 3.191 20 0 EGADMP O=C(NCCC[NH2+]CC1CCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164492248 1383192888 /nfs/dbraw/zinc/19/28/88/1383192888.db2.gz YWLXIISJUZJWNU-IBGZPJMESA-N 2 1 335.536 3.070 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001165332284 1383275634 /nfs/dbraw/zinc/27/56/34/1383275634.db2.gz GQEIMNOCLMGIDO-IBGZPJMESA-N 2 1 347.547 3.237 20 0 EGADMP Cc1[nH+]cc2n1CCN(c1[nH+]c(N3CCCC3)cc3ccccc31)C2 ZINC001165385198 1383283671 /nfs/dbraw/zinc/28/36/71/1383283671.db2.gz PLFZILOQAXZKDI-UHFFFAOYSA-N 2 1 333.439 3.360 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001165484372 1383300806 /nfs/dbraw/zinc/30/08/06/1383300806.db2.gz CTOSPEGXVLBTDP-QGZVFWFLSA-N 2 1 346.519 3.217 20 0 EGADMP C[N@@H+](CC(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1)C1CCC1 ZINC001165501612 1383303536 /nfs/dbraw/zinc/30/35/36/1383303536.db2.gz NBRKWDNRWUUCAB-UHFFFAOYSA-N 2 1 347.547 3.237 20 0 EGADMP C[C@@H]([NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC001165776309 1383343791 /nfs/dbraw/zinc/34/37/91/1383343791.db2.gz HOHUUZWLGKBPEH-MJGOQNOKSA-N 2 1 343.515 3.108 20 0 EGADMP C[N@@H+](CC(=O)NCCC[NH2+][C@H]1CCCc2ccccc21)CC(C)(C)C ZINC001166750323 1383471524 /nfs/dbraw/zinc/47/15/24/1383471524.db2.gz CUAGJRQXHIYVJL-IBGZPJMESA-N 2 1 345.531 3.138 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+]CC[C@H]1CCC[C@H](C)C1 ZINC001167475953 1383644836 /nfs/dbraw/zinc/64/48/36/1383644836.db2.gz NWBIWQQMESQDEA-ZWKOTPCHSA-N 2 1 348.535 3.319 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001167626510 1383692780 /nfs/dbraw/zinc/69/27/80/1383692780.db2.gz CSZBIOPSVANGPR-UXHICEINSA-N 2 1 343.515 3.033 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001167639697 1383695687 /nfs/dbraw/zinc/69/56/87/1383695687.db2.gz DVSJHLJRKXFBAX-UHFFFAOYSA-N 2 1 335.536 3.095 20 0 EGADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CCS(=O)CC1 ZINC001167686161 1383710402 /nfs/dbraw/zinc/71/04/02/1383710402.db2.gz OQQRMHBUCIQXQU-UHFFFAOYSA-N 2 1 334.529 3.015 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]Cc2cc(C)ccc2C)CC1 ZINC001167815088 1383747380 /nfs/dbraw/zinc/74/73/80/1383747380.db2.gz OLAHMECUGPEEKX-UHFFFAOYSA-N 2 1 345.531 3.021 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)C(C)C)C1 ZINC001167825379 1383750396 /nfs/dbraw/zinc/75/03/96/1383750396.db2.gz JZASJEVNVTXCBH-FHWLQOOXSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](Oc2ccnc(OC)c2)C1 ZINC001167836217 1383754033 /nfs/dbraw/zinc/75/40/33/1383754033.db2.gz XTIUZYJFFLAGRD-AEFFLSMTSA-N 2 1 335.492 3.054 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001167836835 1383754799 /nfs/dbraw/zinc/75/47/99/1383754799.db2.gz HXGVPWWKUWTTDG-OAHLLOKOSA-N 2 1 327.513 3.048 20 0 EGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1OC ZINC001167960342 1383779165 /nfs/dbraw/zinc/77/91/65/1383779165.db2.gz YCWNCPQFUTZISV-AYHJJNSGSA-N 2 1 330.472 3.199 20 0 EGADMP c1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)nc1 ZINC001167968645 1383781835 /nfs/dbraw/zinc/78/18/35/1383781835.db2.gz UWIOZOZVIBSKKJ-IHWFROFDSA-N 2 1 340.515 3.045 20 0 EGADMP c1cncc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167972903 1383782317 /nfs/dbraw/zinc/78/23/17/1383782317.db2.gz DTXXWMLFKOGZSO-IHWFROFDSA-N 2 1 340.515 3.045 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001167976338 1383784576 /nfs/dbraw/zinc/78/45/76/1383784576.db2.gz AXDVRBCTYXBVTI-INIZCTEOSA-N 2 1 334.508 3.045 20 0 EGADMP c1ccc2c(c1)OC[C@H](CC[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)O2 ZINC001167978638 1383785129 /nfs/dbraw/zinc/78/51/29/1383785129.db2.gz QBCUNTMKMAEMMQ-IPQPSQTFSA-N 2 1 342.483 3.212 20 0 EGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(N1CCCC[C@@H]1C[NH+]1CCCC1)C2 ZINC001167995467 1383791626 /nfs/dbraw/zinc/79/16/26/1383791626.db2.gz GNNDSNULZHIKMS-JQKXYWIWSA-N 2 1 331.548 3.342 20 0 EGADMP Cc1ccc(O[C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)nc1 ZINC001168002815 1383792975 /nfs/dbraw/zinc/79/29/75/1383792975.db2.gz ZIRPGWKSMKRUMY-JIRNRHONSA-N 2 1 341.499 3.249 20 0 EGADMP Cc1ccc(O[C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)nc1 ZINC001168002815 1383792978 /nfs/dbraw/zinc/79/29/78/1383792978.db2.gz ZIRPGWKSMKRUMY-JIRNRHONSA-N 2 1 341.499 3.249 20 0 EGADMP Cc1ccc(O[C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)nc1 ZINC001168002815 1383792983 /nfs/dbraw/zinc/79/29/83/1383792983.db2.gz ZIRPGWKSMKRUMY-JIRNRHONSA-N 2 1 341.499 3.249 20 0 EGADMP C[C@H]1CC([NH2+]CC(=O)N2CCCCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168009109 1383795798 /nfs/dbraw/zinc/79/57/98/1383795798.db2.gz GWVPUTHKCZKJEV-ROUUACIJSA-N 2 1 343.515 3.030 20 0 EGADMP CCOC(=O)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168013695 1383796757 /nfs/dbraw/zinc/79/67/57/1383796757.db2.gz INHRTOFXXJPIDI-BMFAXAFESA-N 2 1 332.488 3.359 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2CCC(C)(C(N)=O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168051316 1383804806 /nfs/dbraw/zinc/80/48/06/1383804806.db2.gz HFDJEXVDXCAVCN-IZZQQSIFSA-N 2 1 343.515 3.015 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)CCO1 ZINC001168118137 1383821178 /nfs/dbraw/zinc/82/11/78/1383821178.db2.gz OOIGERQIXRBEON-MJGOQNOKSA-N 2 1 343.515 3.326 20 0 EGADMP C[NH+](C)C1CCC([N@@H+](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001168319002 1383871759 /nfs/dbraw/zinc/87/17/59/1383871759.db2.gz KSNPQJRYSPOLAB-JCYILVPMSA-N 2 1 339.524 3.191 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCc3ncc(Br)cc3C2)CC1 ZINC001168324903 1383873354 /nfs/dbraw/zinc/87/33/54/1383873354.db2.gz ZIFSQIZGPBVWQQ-UHFFFAOYSA-N 2 1 338.293 3.075 20 0 EGADMP CN(C1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001168394550 1383895305 /nfs/dbraw/zinc/89/53/05/1383895305.db2.gz BQVWYGNJUBBRCJ-JOCHJYFZSA-N 2 1 341.543 3.457 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001168607126 1383946760 /nfs/dbraw/zinc/94/67/60/1383946760.db2.gz PMWVPYWRCOJVFX-INIZCTEOSA-N 2 1 347.494 3.030 20 0 EGADMP COc1ccc([C@H]2C[C@H]([N@@H+](C)CCC[NH+]3CCCC3)CCO2)cc1 ZINC001168654852 1383959808 /nfs/dbraw/zinc/95/98/08/1383959808.db2.gz WJDRPTPRJCCFNR-UYAOXDASSA-N 2 1 332.488 3.333 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)CN1C(=O)OC(C)(C)C ZINC001168812050 1384015574 /nfs/dbraw/zinc/01/55/74/1384015574.db2.gz PHAPXFHUNFCPNB-IXDOHACOSA-N 2 1 339.524 3.238 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129935 1384111256 /nfs/dbraw/zinc/11/12/56/1384111256.db2.gz MGMWMQWUGJWBJV-AXVVYFOYSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129935 1384111258 /nfs/dbraw/zinc/11/12/58/1384111258.db2.gz MGMWMQWUGJWBJV-AXVVYFOYSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129935 1384111259 /nfs/dbraw/zinc/11/12/59/1384111259.db2.gz MGMWMQWUGJWBJV-AXVVYFOYSA-N 2 1 349.519 3.087 20 0 EGADMP CN(C1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126862 1384111434 /nfs/dbraw/zinc/11/14/34/1384111434.db2.gz YEUPJAQCWMRJKU-AERCQKQUSA-N 2 1 327.516 3.208 20 0 EGADMP C[N@H+](C1CCN(Cc2ccccc2)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126862 1384111435 /nfs/dbraw/zinc/11/14/35/1384111435.db2.gz YEUPJAQCWMRJKU-AERCQKQUSA-N 2 1 327.516 3.208 20 0 EGADMP C[N@@H+](C1CCN(Cc2ccccc2)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126862 1384111436 /nfs/dbraw/zinc/11/14/36/1384111436.db2.gz YEUPJAQCWMRJKU-AERCQKQUSA-N 2 1 327.516 3.208 20 0 EGADMP C[NH+](C1CCN(Cc2ccccc2)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126862 1384111437 /nfs/dbraw/zinc/11/14/37/1384111437.db2.gz YEUPJAQCWMRJKU-AERCQKQUSA-N 2 1 327.516 3.208 20 0 EGADMP C[NH+](C1CCN(Cc2ccccc2)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126862 1384111438 /nfs/dbraw/zinc/11/14/38/1384111438.db2.gz YEUPJAQCWMRJKU-AERCQKQUSA-N 2 1 327.516 3.208 20 0 EGADMP COc1ccc([C@@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC001169141731 1384112682 /nfs/dbraw/zinc/11/26/82/1384112682.db2.gz SCTMBWMSJNEBRG-MHORFTMASA-N 2 1 330.472 3.466 20 0 EGADMP COc1ccc([C@@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC001169141731 1384112684 /nfs/dbraw/zinc/11/26/84/1384112684.db2.gz SCTMBWMSJNEBRG-MHORFTMASA-N 2 1 330.472 3.466 20 0 EGADMP COCC[N@@H+](C)Cc1ccnc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1 ZINC001169141500 1384112843 /nfs/dbraw/zinc/11/28/43/1384112843.db2.gz JWKWNKMVRQDLAC-PXNSSMCTSA-N 2 1 348.535 3.115 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145564 1384114574 /nfs/dbraw/zinc/11/45/74/1384114574.db2.gz MZOHVQKTWCNSRD-CBPXPLCBSA-N 2 1 339.527 3.210 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C1)C2 ZINC001169145564 1384114576 /nfs/dbraw/zinc/11/45/76/1384114576.db2.gz MZOHVQKTWCNSRD-CBPXPLCBSA-N 2 1 339.527 3.210 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C1)C2 ZINC001169145564 1384114578 /nfs/dbraw/zinc/11/45/78/1384114578.db2.gz MZOHVQKTWCNSRD-CBPXPLCBSA-N 2 1 339.527 3.210 20 0 EGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC001169246050 1384126925 /nfs/dbraw/zinc/12/69/25/1384126925.db2.gz NMJXAINZXHCXNV-HZPDHXFCSA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+]1CCC([N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC001169246050 1384126927 /nfs/dbraw/zinc/12/69/27/1384126927.db2.gz NMJXAINZXHCXNV-HZPDHXFCSA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+]1CCC(N2CCC([N@@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001169261934 1384128830 /nfs/dbraw/zinc/12/88/30/1384128830.db2.gz RKOJAFNXKHWEGI-UHFFFAOYSA-N 2 1 333.495 3.206 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(Cc3ccc(C(=O)OC)cc3)CC2)CC1 ZINC001169268930 1384130464 /nfs/dbraw/zinc/13/04/64/1384130464.db2.gz RCKSJYWOZHZNET-UHFFFAOYSA-N 2 1 344.499 3.212 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+]C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001169273871 1384130675 /nfs/dbraw/zinc/13/06/75/1384130675.db2.gz ZBTXXDGDOPZKGQ-VIQWUECVSA-N 2 1 330.472 3.229 20 0 EGADMP [NH3+]CCCc1[nH+]ccn1C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169290673 1384132740 /nfs/dbraw/zinc/13/27/40/1384132740.db2.gz KSFOAWOPZSRHQC-UHFFFAOYSA-N 2 1 327.428 3.115 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169809599 1384187669 /nfs/dbraw/zinc/18/76/69/1384187669.db2.gz JGVOCLVLXMQMNO-IEBWSBKVSA-N 2 1 335.536 3.236 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169809578 1384187728 /nfs/dbraw/zinc/18/77/28/1384187728.db2.gz JBFCZBMKQSEXMU-HKUYNNGSSA-N 2 1 337.552 3.316 20 0 EGADMP COCCN1CCOC[C@]2(CCC[N@H+]([C@H](C)CCCC(C)C)C2)C1 ZINC001170078470 1384229622 /nfs/dbraw/zinc/22/96/22/1384229622.db2.gz SGMALQQQGRPMDL-WOJBJXKFSA-N 2 1 340.552 3.262 20 0 EGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001170261423 1384277897 /nfs/dbraw/zinc/27/78/97/1384277897.db2.gz RPWVTQMHXXUDFI-MAUKXSAKSA-N 2 1 336.907 3.362 20 0 EGADMP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001170261423 1384277900 /nfs/dbraw/zinc/27/79/00/1384277900.db2.gz RPWVTQMHXXUDFI-MAUKXSAKSA-N 2 1 336.907 3.362 20 0 EGADMP CCOC(=O)C1=C(Nc2ccc([NH+]3CCCCC3)cc2C)CC[NH2+]C1 ZINC001170520530 1384334437 /nfs/dbraw/zinc/33/44/37/1384334437.db2.gz JMVVLGXEKLOQIZ-UHFFFAOYSA-N 2 1 343.471 3.208 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170527499 1384335380 /nfs/dbraw/zinc/33/53/80/1384335380.db2.gz YOGKBVHHXVHXEI-NCXUSEDFSA-N 2 1 336.520 3.480 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170527498 1384335641 /nfs/dbraw/zinc/33/56/41/1384335641.db2.gz YOGKBVHHXVHXEI-MKXGPGLRSA-N 2 1 336.520 3.480 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170870873 1384402074 /nfs/dbraw/zinc/40/20/74/1384402074.db2.gz LAALTLRYIITLPH-ZHALLVOQSA-N 2 1 337.552 3.172 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC1 ZINC001170879731 1384403843 /nfs/dbraw/zinc/40/38/43/1384403843.db2.gz ZUCSYOZPRXUZTI-JKSUJKDBSA-N 2 1 334.508 3.071 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171107237 1384447167 /nfs/dbraw/zinc/44/71/67/1384447167.db2.gz AGIGRLBPOYCVNI-BZSNNMDCSA-N 2 1 334.891 3.168 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171247776 1384477705 /nfs/dbraw/zinc/47/77/05/1384477705.db2.gz OEZMJHCZABOETN-DLBZAZTESA-N 2 1 348.535 3.461 20 0 EGADMP C[C@H](CCCC[NH2+]CCCF)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171248057 1384478373 /nfs/dbraw/zinc/47/83/73/1384478373.db2.gz QIOKEDFLSDTTHF-AEFFLSMTSA-N 2 1 341.515 3.018 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171248390 1384478489 /nfs/dbraw/zinc/47/84/89/1384478489.db2.gz UEJYIHRSDBCPKA-PXNSSMCTSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171537786 1384555375 /nfs/dbraw/zinc/55/53/75/1384555375.db2.gz HJNHPMIBQKQJQE-VQIMIIECSA-N 2 1 349.494 3.075 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001171537421 1384555458 /nfs/dbraw/zinc/55/54/58/1384555458.db2.gz CEUCDYQAJYIZNZ-AZUAARDMSA-N 2 1 345.531 3.244 20 0 EGADMP C[C@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171537815 1384556387 /nfs/dbraw/zinc/55/63/87/1384556387.db2.gz HYZASGXKZRFPAG-APWZRJJASA-N 2 1 349.494 3.075 20 0 EGADMP Fc1cc2c(c(F)c1F)C[C@H](n1c[nH+]cc1C1CC[NH2+]CC1)CC2 ZINC001171543476 1384558365 /nfs/dbraw/zinc/55/83/65/1384558365.db2.gz KKTNCRAGLGWHQD-CYBMUJFWSA-N 2 1 335.373 3.497 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2CCc3c(C)cccc3C2)CC1 ZINC001171571415 1384567325 /nfs/dbraw/zinc/56/73/25/1384567325.db2.gz XRKCNVDHKDRYNH-SFTDATJTSA-N 2 1 342.527 3.428 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)C1 ZINC001171586398 1384572688 /nfs/dbraw/zinc/57/26/88/1384572688.db2.gz NKHHBYUIQWBODE-CGZBRXJRSA-N 2 1 325.541 3.027 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H]([C@@H](N)C(F)(F)F)C2)CC1(C)C ZINC001171631100 1384586347 /nfs/dbraw/zinc/58/63/47/1384586347.db2.gz WEVCJMHQKFEPTO-GXTWGEPZSA-N 2 1 335.458 3.239 20 0 EGADMP COc1ccc(O[C@H]2CC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)nc1 ZINC001171641697 1384590211 /nfs/dbraw/zinc/59/02/11/1384590211.db2.gz UCGHOWPYFNYBGJ-KRWDZBQOSA-N 2 1 347.503 3.195 20 0 EGADMP COC(=O)[C@@H]1C[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)Cc2ccccc21 ZINC001171642732 1384590408 /nfs/dbraw/zinc/59/04/08/1384590408.db2.gz LYDWNJLAACWVPR-GOSISDBHSA-N 2 1 344.499 3.410 20 0 EGADMP Cc1cccc(N([C@@H]2Cc3cccc(F)c3C2)C2CC[NH2+]CC2)[nH+]1 ZINC001171808587 1384644718 /nfs/dbraw/zinc/64/47/18/1384644718.db2.gz AQHRPAQIIYUUPI-QGZVFWFLSA-N 2 1 325.431 3.255 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171826590 1384652905 /nfs/dbraw/zinc/65/29/05/1384652905.db2.gz RDFUKKZFSUDGTI-KRWDZBQOSA-N 2 1 348.535 3.073 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001316900122 1384679185 /nfs/dbraw/zinc/67/91/85/1384679185.db2.gz UHWGFILNOCVHCN-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001316900122 1384679186 /nfs/dbraw/zinc/67/91/86/1384679186.db2.gz UHWGFILNOCVHCN-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001316900122 1384679187 /nfs/dbraw/zinc/67/91/87/1384679187.db2.gz UHWGFILNOCVHCN-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977810 1384702242 /nfs/dbraw/zinc/70/22/42/1384702242.db2.gz DKQXNFFUZMBHTL-MOPGFXCFSA-N 2 1 343.515 3.030 20 0 EGADMP CC1(C)C[C@H](N(CC[NH3+])c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC001171982491 1384703922 /nfs/dbraw/zinc/70/39/22/1384703922.db2.gz JALYSKXBLVPSIV-LJQANCHMSA-N 2 1 338.499 3.290 20 0 EGADMP C[N@H+]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1(C)C ZINC001171989152 1384704919 /nfs/dbraw/zinc/70/49/19/1384704919.db2.gz YWMXBMXWNODAHJ-LJQANCHMSA-N 2 1 329.532 3.456 20 0 EGADMP C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1(C)C ZINC001171989152 1384704921 /nfs/dbraw/zinc/70/49/21/1384704921.db2.gz YWMXBMXWNODAHJ-LJQANCHMSA-N 2 1 329.532 3.456 20 0 EGADMP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1(C)C ZINC001171989152 1384704923 /nfs/dbraw/zinc/70/49/23/1384704923.db2.gz YWMXBMXWNODAHJ-LJQANCHMSA-N 2 1 329.532 3.456 20 0 EGADMP CCOC(=O)[C@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986985 1384705225 /nfs/dbraw/zinc/70/52/25/1384705225.db2.gz OCBXUXMPUBCQHV-RBUKOAKNSA-N 2 1 344.499 3.315 20 0 EGADMP CCOC(=O)[C@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986985 1384705229 /nfs/dbraw/zinc/70/52/29/1384705229.db2.gz OCBXUXMPUBCQHV-RBUKOAKNSA-N 2 1 344.499 3.315 20 0 EGADMP CCOC(=O)[C@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986985 1384705233 /nfs/dbraw/zinc/70/52/33/1384705233.db2.gz OCBXUXMPUBCQHV-RBUKOAKNSA-N 2 1 344.499 3.315 20 0 EGADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989240 1384705355 /nfs/dbraw/zinc/70/53/55/1384705355.db2.gz BEBHWMXGXRAHPJ-AABGKKOBSA-N 2 1 327.516 3.208 20 0 EGADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989240 1384705358 /nfs/dbraw/zinc/70/53/58/1384705358.db2.gz BEBHWMXGXRAHPJ-AABGKKOBSA-N 2 1 327.516 3.208 20 0 EGADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989240 1384705362 /nfs/dbraw/zinc/70/53/62/1384705362.db2.gz BEBHWMXGXRAHPJ-AABGKKOBSA-N 2 1 327.516 3.208 20 0 EGADMP c1nocc1CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172070189 1384717966 /nfs/dbraw/zinc/71/79/66/1384717966.db2.gz MWCKQSJTTWWQLP-ACDBMABISA-N 2 1 325.456 3.392 20 0 EGADMP CCN(CC[NH+](C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076573 1384720051 /nfs/dbraw/zinc/72/00/51/1384720051.db2.gz GBEKURMUIKDBSF-AERCQKQUSA-N 2 1 329.532 3.456 20 0 EGADMP COCC[NH+](CCOC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172080063 1384721425 /nfs/dbraw/zinc/72/14/25/1384721425.db2.gz SQBLPDHZYWAASM-AERCQKQUSA-N 2 1 346.515 3.167 20 0 EGADMP COCC[NH+](CCOC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172080063 1384721432 /nfs/dbraw/zinc/72/14/32/1384721432.db2.gz SQBLPDHZYWAASM-AERCQKQUSA-N 2 1 346.515 3.167 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](Cc1ccccc1)C[NH+]1CCCC1)C2 ZINC001172104215 1384727390 /nfs/dbraw/zinc/72/73/90/1384727390.db2.gz AQDIWVWGJNYCPQ-MYGLTJDJSA-N 2 1 341.543 3.298 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)C2 ZINC001172112101 1384730090 /nfs/dbraw/zinc/73/00/90/1384730090.db2.gz TTYJOFAPGHHHQI-QEOTZNIISA-N 2 1 337.508 3.037 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)C2 ZINC001172112101 1384730092 /nfs/dbraw/zinc/73/00/92/1384730092.db2.gz TTYJOFAPGHHHQI-QEOTZNIISA-N 2 1 337.508 3.037 20 0 EGADMP CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115443 1384730816 /nfs/dbraw/zinc/73/08/16/1384730816.db2.gz XQSVIGKIQAEDSM-MHTWAQMVSA-N 2 1 327.516 3.208 20 0 EGADMP CN([C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115443 1384730822 /nfs/dbraw/zinc/73/08/22/1384730822.db2.gz XQSVIGKIQAEDSM-MHTWAQMVSA-N 2 1 327.516 3.208 20 0 EGADMP CN([C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115443 1384730826 /nfs/dbraw/zinc/73/08/26/1384730826.db2.gz XQSVIGKIQAEDSM-MHTWAQMVSA-N 2 1 327.516 3.208 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC([NH3+])(c3ccccc3F)CC1)C2 ZINC001172112975 1384731276 /nfs/dbraw/zinc/73/12/76/1384731276.db2.gz DEAMKTDSZPXCIQ-FVQHAEBGSA-N 2 1 331.479 3.091 20 0 EGADMP Cc1ccc(C2(O)CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172115298 1384731456 /nfs/dbraw/zinc/73/14/56/1384731456.db2.gz WFBQCMQYALHKEP-ACDBMABISA-N 2 1 328.500 3.294 20 0 EGADMP Cc1ccc(C2(O)CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001172115298 1384731459 /nfs/dbraw/zinc/73/14/59/1384731459.db2.gz WFBQCMQYALHKEP-ACDBMABISA-N 2 1 328.500 3.294 20 0 EGADMP COC(=O)CCC[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172116974 1384733445 /nfs/dbraw/zinc/73/34/45/1384733445.db2.gz FHBJJXNZMNUTSG-ACDBMABISA-N 2 1 344.499 3.457 20 0 EGADMP COC(=O)CCC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172116974 1384733447 /nfs/dbraw/zinc/73/34/47/1384733447.db2.gz FHBJJXNZMNUTSG-ACDBMABISA-N 2 1 344.499 3.457 20 0 EGADMP COC(=O)CCC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172116974 1384733451 /nfs/dbraw/zinc/73/34/51/1384733451.db2.gz FHBJJXNZMNUTSG-ACDBMABISA-N 2 1 344.499 3.457 20 0 EGADMP COC(=O)CCC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172116974 1384733453 /nfs/dbraw/zinc/73/34/53/1384733453.db2.gz FHBJJXNZMNUTSG-ACDBMABISA-N 2 1 344.499 3.457 20 0 EGADMP CCOC(=O)[C@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]2CCCC[C@@H]12 ZINC001172122074 1384734451 /nfs/dbraw/zinc/73/44/51/1384734451.db2.gz WOBCALBYEUAMKI-JWLCQNFESA-N 2 1 348.531 3.303 20 0 EGADMP CCOC(=O)[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]2CCCC[C@@H]12 ZINC001172122074 1384734458 /nfs/dbraw/zinc/73/44/58/1384734458.db2.gz WOBCALBYEUAMKI-JWLCQNFESA-N 2 1 348.531 3.303 20 0 EGADMP CCOC(=O)[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]2CCCC[C@@H]12 ZINC001172122074 1384734463 /nfs/dbraw/zinc/73/44/63/1384734463.db2.gz WOBCALBYEUAMKI-JWLCQNFESA-N 2 1 348.531 3.303 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC001172127119 1384735631 /nfs/dbraw/zinc/73/56/31/1384735631.db2.gz GXQSPBNAIFUHPK-VNXMGFANSA-N 2 1 339.527 3.208 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC001172127119 1384735634 /nfs/dbraw/zinc/73/56/34/1384735634.db2.gz GXQSPBNAIFUHPK-VNXMGFANSA-N 2 1 339.527 3.208 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC001172127119 1384735638 /nfs/dbraw/zinc/73/56/38/1384735638.db2.gz GXQSPBNAIFUHPK-VNXMGFANSA-N 2 1 339.527 3.208 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3CN(c4ccccc4)C[C@@H]3C1)C2 ZINC001172133253 1384737119 /nfs/dbraw/zinc/73/71/19/1384737119.db2.gz QLJJZUJGSPXOTQ-LPOYBJAFSA-N 2 1 325.500 3.070 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(Cc3c(F)cccc3F)CC1)C2 ZINC001172130583 1384737988 /nfs/dbraw/zinc/73/79/88/1384737988.db2.gz QEXQHODTPJFKSA-BJWYYQGGSA-N 2 1 349.469 3.098 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(Cc3c(F)cccc3F)CC1)C2 ZINC001172130583 1384737990 /nfs/dbraw/zinc/73/79/90/1384737990.db2.gz QEXQHODTPJFKSA-BJWYYQGGSA-N 2 1 349.469 3.098 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](C4C[C@H]5CC[C@@H](C4)O5)C[C@@H]3C2)cc1 ZINC001172227251 1384752372 /nfs/dbraw/zinc/75/23/72/1384752372.db2.gz SCBAFLNFYXSELN-OBKBHFTKSA-N 2 1 326.484 3.150 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C4C[C@H]5CC[C@@H](C4)O5)C[C@@H]3C2)cc1 ZINC001172227251 1384752376 /nfs/dbraw/zinc/75/23/76/1384752376.db2.gz SCBAFLNFYXSELN-OBKBHFTKSA-N 2 1 326.484 3.150 20 0 EGADMP COCCC[NH+]1CCC([NH2+]C2(Cc3cccc(F)c3)CCC2)CC1 ZINC001172248421 1384755654 /nfs/dbraw/zinc/75/56/54/1384755654.db2.gz GWEJBLNMINDUQJ-UHFFFAOYSA-N 2 1 334.479 3.381 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@H](c2cncc(Cl)c2)C2CC2)CC1 ZINC001172248746 1384756122 /nfs/dbraw/zinc/75/61/22/1384756122.db2.gz OAAZBVQSEWSJEK-SFHVURJKSA-N 2 1 337.895 3.277 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001172318526 1384769132 /nfs/dbraw/zinc/76/91/32/1384769132.db2.gz JPROOAQOQHVJQI-MSOLQXFVSA-N 2 1 334.504 3.202 20 0 EGADMP c1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CC[N@@H+](CC4CCOCC4)C3)C2)cc1 ZINC001172558615 1384811131 /nfs/dbraw/zinc/81/11/31/1384811131.db2.gz WSRHQHSMDKAPRA-NJDAHSKKSA-N 2 1 328.500 3.413 20 0 EGADMP c1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CC[N@H+](CC4CCOCC4)C3)C2)cc1 ZINC001172558615 1384811134 /nfs/dbraw/zinc/81/11/34/1384811134.db2.gz WSRHQHSMDKAPRA-NJDAHSKKSA-N 2 1 328.500 3.413 20 0 EGADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172602113 1384817026 /nfs/dbraw/zinc/81/70/26/1384817026.db2.gz GNPDGGBYGJUORU-VJANTYMQSA-N 2 1 336.520 3.480 20 0 EGADMP COc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCC[C@@H](OC)C3)CC2)cc1 ZINC001172925936 1384880382 /nfs/dbraw/zinc/88/03/82/1384880382.db2.gz LWUNOJNGOKKTHM-PZJWPPBQSA-N 2 1 346.515 3.249 20 0 EGADMP CC[NH+]1CCC([N@H+](C)[C@@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172963269 1384891524 /nfs/dbraw/zinc/89/15/24/1384891524.db2.gz GEKOFZKLTQJRMP-HNNXBMFYSA-N 2 1 327.513 3.048 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172963269 1384891528 /nfs/dbraw/zinc/89/15/28/1384891528.db2.gz GEKOFZKLTQJRMP-HNNXBMFYSA-N 2 1 327.513 3.048 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](Oc3ncccc3OC)C2)CC1 ZINC001173113860 1384917509 /nfs/dbraw/zinc/91/75/09/1384917509.db2.gz NFYYCNXTGAFKSW-DAWZGUTISA-N 2 1 347.503 3.196 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](Oc3cc(C)ncn3)C2)CC1 ZINC001173114070 1384917797 /nfs/dbraw/zinc/91/77/97/1384917797.db2.gz UYQUKWWZIFFYCJ-ACBHZAAOSA-N 2 1 346.519 3.281 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](Oc3nccc(C)n3)C2)CC1 ZINC001173113055 1384917925 /nfs/dbraw/zinc/91/79/25/1384917925.db2.gz GLTSHZSZTUYLJX-CTWPCTMYSA-N 2 1 346.519 3.281 20 0 EGADMP CC[N@H+]1CC[C@@H](N2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001173366914 1384965771 /nfs/dbraw/zinc/96/57/71/1384965771.db2.gz BYSZOPJWWAXEKS-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP CC[NH+]1CC[C@@H](N2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001173366914 1384965773 /nfs/dbraw/zinc/96/57/73/1384965773.db2.gz BYSZOPJWWAXEKS-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP CC[NH+]1CC[C@@H](N2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001173366914 1384965776 /nfs/dbraw/zinc/96/57/76/1384965776.db2.gz BYSZOPJWWAXEKS-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP CC[N@H+]1CC[C@H](N2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001173366915 1384965861 /nfs/dbraw/zinc/96/58/61/1384965861.db2.gz BYSZOPJWWAXEKS-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP CC[NH+]1CC[C@H](N2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001173366915 1384965865 /nfs/dbraw/zinc/96/58/65/1384965865.db2.gz BYSZOPJWWAXEKS-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP CC[NH+]1CC[C@H](N2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001173366915 1384965870 /nfs/dbraw/zinc/96/58/70/1384965870.db2.gz BYSZOPJWWAXEKS-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C2CCN(c3[nH+]cccc3C)CC2)C1 ZINC001173645157 1384994624 /nfs/dbraw/zinc/99/46/24/1384994624.db2.gz VKTUOEHMFYIQHL-FUHWJXTLSA-N 2 1 345.487 3.070 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@H](N(c2cccc(C)[nH+]2)C2CC[NH2+]CC2)C1 ZINC001173662842 1384998805 /nfs/dbraw/zinc/99/88/05/1384998805.db2.gz CCELPRWSVCCHHU-WMZOPIPTSA-N 2 1 345.487 3.070 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C(C)C)C[C@H]2C)cc1 ZINC001173723511 1385010130 /nfs/dbraw/zinc/01/01/30/1385010130.db2.gz IIGBTMXFCNHOMQ-GJYPPUQNSA-N 2 1 332.488 3.113 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001317361565 1385104520 /nfs/dbraw/zinc/10/45/20/1385104520.db2.gz VJQWTQJOFPNTAQ-UXHICEINSA-N 2 1 345.531 3.244 20 0 EGADMP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175256952 1385231277 /nfs/dbraw/zinc/23/12/77/1385231277.db2.gz RCPUXKRQMDLXGT-QZTJIDSGSA-N 2 1 325.541 3.316 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175262111 1385232380 /nfs/dbraw/zinc/23/23/80/1385232380.db2.gz AZJDRKHCHNNWNI-MOPGFXCFSA-N 2 1 349.563 3.483 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175263729 1385234171 /nfs/dbraw/zinc/23/41/71/1385234171.db2.gz QUSQMLLKNVCKNY-IRXDYDNUSA-N 2 1 325.541 3.029 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175271820 1385237385 /nfs/dbraw/zinc/23/73/85/1385237385.db2.gz FDWFYVDGSVUSPL-KRWDZBQOSA-N 2 1 343.531 3.123 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@@H](CC)c1ccccc1 ZINC001317542614 1385283705 /nfs/dbraw/zinc/28/37/05/1385283705.db2.gz FMEZRZNXYPGVAX-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H](CC)c1ccccc1 ZINC001317542614 1385283708 /nfs/dbraw/zinc/28/37/08/1385283708.db2.gz FMEZRZNXYPGVAX-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[C@@H](CC)c1ccccc1 ZINC001317542614 1385283711 /nfs/dbraw/zinc/28/37/11/1385283711.db2.gz FMEZRZNXYPGVAX-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@@H](C)c1ccccc1F ZINC001317544687 1385289937 /nfs/dbraw/zinc/28/99/37/1385289937.db2.gz AQLYJSUNPQPXOC-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@@H](C)c1ccccc1F ZINC001317544687 1385289939 /nfs/dbraw/zinc/28/99/39/1385289939.db2.gz AQLYJSUNPQPXOC-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[C@@H](C)c1ccccc1F ZINC001317544687 1385289941 /nfs/dbraw/zinc/28/99/41/1385289941.db2.gz AQLYJSUNPQPXOC-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH2+]CC[C@H](C)F ZINC001175528777 1385321860 /nfs/dbraw/zinc/32/18/60/1385321860.db2.gz LLIGSBZLPMAUAT-JKSUJKDBSA-N 2 1 340.487 3.019 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)C1 ZINC001175529612 1385322822 /nfs/dbraw/zinc/32/28/22/1385322822.db2.gz ZUFNKASZNSSURS-ADKAHSJRSA-N 2 1 348.535 3.317 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCC1 ZINC001175571443 1385334840 /nfs/dbraw/zinc/33/48/40/1385334840.db2.gz BJSMUUWVXIHLLZ-IEBWSBKVSA-N 2 1 337.552 3.314 20 0 EGADMP CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317766830 1385456636 /nfs/dbraw/zinc/45/66/36/1385456636.db2.gz JINJXPNVTPNUHA-QGZVFWFLSA-N 2 1 334.508 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@@H](N(CCC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317766830 1385456639 /nfs/dbraw/zinc/45/66/39/1385456639.db2.gz JINJXPNVTPNUHA-QGZVFWFLSA-N 2 1 334.508 3.120 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCF ZINC001176112320 1385487687 /nfs/dbraw/zinc/48/76/87/1385487687.db2.gz POEAKPSNMYVPAH-QZTJIDSGSA-N 2 1 343.531 3.265 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176167434 1385501182 /nfs/dbraw/zinc/50/11/82/1385501182.db2.gz ZLIDVJZBWQTWSC-AZUAARDMSA-N 2 1 349.563 3.483 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]C[C@H](C)CC(C)C ZINC001176283973 1385538539 /nfs/dbraw/zinc/53/85/39/1385538539.db2.gz CBXRBOUMZUDIOR-QZTJIDSGSA-N 2 1 327.557 3.275 20 0 EGADMP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176285741 1385538858 /nfs/dbraw/zinc/53/88/58/1385538858.db2.gz QIEGTSKIVICZEW-GIFJBRJJSA-N 2 1 325.541 3.339 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]C[C@@H](C)CC(C)C ZINC001176283975 1385538921 /nfs/dbraw/zinc/53/89/21/1385538921.db2.gz CBXRBOUMZUDIOR-ZWKOTPCHSA-N 2 1 327.557 3.275 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC2(CCC2)C1 ZINC001176285200 1385538927 /nfs/dbraw/zinc/53/89/27/1385538927.db2.gz NFIJYOHXNYEJCB-KRWDZBQOSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1cn2cc(Nc3ccc(OCCC[NH+](C)C)nc3)ccc2[nH+]1 ZINC001176351924 1385560935 /nfs/dbraw/zinc/56/09/35/1385560935.db2.gz DZKAVUCFPHLUOY-UHFFFAOYSA-N 2 1 325.416 3.112 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001176759880 1385686665 /nfs/dbraw/zinc/68/66/65/1385686665.db2.gz NPYCXBJJVQYGQE-AZUAARDMSA-N 2 1 345.531 3.326 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CCC)CC1 ZINC001318462100 1385706881 /nfs/dbraw/zinc/70/68/81/1385706881.db2.gz PYHMLVYQKAHKRE-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCC)CC1 ZINC001318462100 1385706884 /nfs/dbraw/zinc/70/68/84/1385706884.db2.gz PYHMLVYQKAHKRE-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCC)CC1 ZINC001318462100 1385706889 /nfs/dbraw/zinc/70/68/89/1385706889.db2.gz PYHMLVYQKAHKRE-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176820069 1385713411 /nfs/dbraw/zinc/71/34/11/1385713411.db2.gz INAMCKABUTWNDK-MOPGFXCFSA-N 2 1 347.547 3.429 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176820069 1385713414 /nfs/dbraw/zinc/71/34/14/1385713414.db2.gz INAMCKABUTWNDK-MOPGFXCFSA-N 2 1 347.547 3.429 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001177016786 1385773344 /nfs/dbraw/zinc/77/33/44/1385773344.db2.gz RHJGWOWSPQADHZ-HKUYNNGSSA-N 2 1 333.520 3.067 20 0 EGADMP CC(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001177266436 1385889666 /nfs/dbraw/zinc/88/96/66/1385889666.db2.gz HMVNOALJXLHYCT-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001177348178 1385923124 /nfs/dbraw/zinc/92/31/24/1385923124.db2.gz BEQYRNMEZNVNJJ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N(CCC[NH2+]C(C)C)CC1CCCC1 ZINC001177352569 1385925257 /nfs/dbraw/zinc/92/52/57/1385925257.db2.gz BKQRSNOANXYJBP-UHFFFAOYSA-N 2 1 325.541 3.124 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001319043872 1385944082 /nfs/dbraw/zinc/94/40/82/1385944082.db2.gz LQALKAWUDLQDJC-UHFFFAOYSA-N 2 1 348.535 3.236 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001177440676 1385958216 /nfs/dbraw/zinc/95/82/16/1385958216.db2.gz PKKSSBQKMQLYHY-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N(CCC[NH2+]CC2CCC2)CC2CCCC2)C1 ZINC001177466940 1385967430 /nfs/dbraw/zinc/96/74/30/1385967430.db2.gz LTWOTLCPOGGVBH-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CCC[NH2+]C/C=C\Cl)CC1CCCC1 ZINC001177469125 1385968937 /nfs/dbraw/zinc/96/89/37/1385968937.db2.gz WIVGLFYJYPVSRR-POHAHGRESA-N 2 1 343.943 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC2CCCCC2)C1 ZINC001319228601 1386015271 /nfs/dbraw/zinc/01/52/71/1386015271.db2.gz IZSHTEOTCVNZKD-IEBWSBKVSA-N 2 1 337.552 3.031 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001178045763 1386115662 /nfs/dbraw/zinc/11/56/62/1386115662.db2.gz UUSJURCCXRNKPU-KRWDZBQOSA-N 2 1 325.541 3.173 20 0 EGADMP CSc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC001178464442 1386225584 /nfs/dbraw/zinc/22/55/84/1386225584.db2.gz ZAEMLDMEHIHDGW-IBGZPJMESA-N 2 1 342.508 3.265 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178483584 1386231165 /nfs/dbraw/zinc/23/11/65/1386231165.db2.gz FMELDVWFWLPEQP-OALUTQOASA-N 2 1 335.536 3.093 20 0 EGADMP CC1CC(C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C2CCCCC2)C1 ZINC001319655111 1386235913 /nfs/dbraw/zinc/23/59/13/1386235913.db2.gz IZZCNTUQSHMKRN-LBXVMSDZSA-N 2 1 349.563 3.172 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001178687996 1386278154 /nfs/dbraw/zinc/27/81/54/1386278154.db2.gz BJNHKOMKTLAMHW-OALUTQOASA-N 2 1 339.568 3.277 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCCCCC[NH2+]C/C=C/Cl ZINC001178692805 1386278611 /nfs/dbraw/zinc/27/86/11/1386278611.db2.gz BPNFJOHVVXLKLB-VMSUTVGLSA-N 2 1 343.943 3.268 20 0 EGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001178698539 1386281691 /nfs/dbraw/zinc/28/16/91/1386281691.db2.gz KUKBLMGPGXLUSC-OAJJDEHYSA-N 2 1 346.519 3.383 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC001319755257 1386282838 /nfs/dbraw/zinc/28/28/38/1386282838.db2.gz OTTAOZFHZZCNRX-HKUYNNGSSA-N 2 1 326.488 3.314 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC001319755257 1386282839 /nfs/dbraw/zinc/28/28/39/1386282839.db2.gz OTTAOZFHZZCNRX-HKUYNNGSSA-N 2 1 326.488 3.314 20 0 EGADMP O=C(NCCCCCC[NH2+]CCC1CC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001178811696 1386314086 /nfs/dbraw/zinc/31/40/86/1386314086.db2.gz ZBXOXOCQRDDLLR-OALUTQOASA-N 2 1 335.536 3.070 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccccc2)C1 ZINC001319828141 1386321507 /nfs/dbraw/zinc/32/15/07/1386321507.db2.gz UBOHRDHUUJCFQB-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001178889864 1386339625 /nfs/dbraw/zinc/33/96/25/1386339625.db2.gz AHKPJTDEHWWCPB-OQNFGNQXSA-N 2 1 344.503 3.086 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001179033831 1386384433 /nfs/dbraw/zinc/38/44/33/1386384433.db2.gz XDGXBKOBLGCECW-UHFFFAOYSA-N 2 1 348.535 3.218 20 0 EGADMP CCC(CC)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001320009625 1386451173 /nfs/dbraw/zinc/45/11/73/1386451173.db2.gz VNNWHVCDYZMUFC-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001320009625 1386451175 /nfs/dbraw/zinc/45/11/75/1386451175.db2.gz VNNWHVCDYZMUFC-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001320009625 1386451179 /nfs/dbraw/zinc/45/11/79/1386451179.db2.gz VNNWHVCDYZMUFC-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179375454 1386467052 /nfs/dbraw/zinc/46/70/52/1386467052.db2.gz QJGXFQGHQAKTKT-ROUUACIJSA-N 2 1 325.541 3.029 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCCCCCC[NH2+]CCC2=CCCCC2)C1 ZINC001179585719 1386524525 /nfs/dbraw/zinc/52/45/25/1386524525.db2.gz JSLZIYVXDRYJER-IBGZPJMESA-N 2 1 349.563 3.485 20 0 EGADMP CCC/C=C\CC[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001179587323 1386524539 /nfs/dbraw/zinc/52/45/39/1386524539.db2.gz YLNQNHAYZGDYJH-SFFCAUCYSA-N 2 1 337.552 3.341 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCCCCCC[NH2+]CC2CCCCC2)C1 ZINC001179586142 1386524586 /nfs/dbraw/zinc/52/45/86/1386524586.db2.gz MZWCVMCOCYCKJL-GOSISDBHSA-N 2 1 337.552 3.175 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179788308 1386586500 /nfs/dbraw/zinc/58/65/00/1386586500.db2.gz VHGSCWZAQASJFO-RTBURBONSA-N 2 1 335.536 3.236 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179792372 1386587497 /nfs/dbraw/zinc/58/74/97/1386587497.db2.gz IEBGMCPPLFRDLQ-RTBURBONSA-N 2 1 337.552 3.460 20 0 EGADMP CC(C)CCC[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001180061144 1386683590 /nfs/dbraw/zinc/68/35/90/1386683590.db2.gz YOMNYSKIRVQDMK-GOSISDBHSA-N 2 1 325.541 3.031 20 0 EGADMP CCC/C=C/CC[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001180060498 1386684049 /nfs/dbraw/zinc/68/40/49/1386684049.db2.gz FHOWNWDZQOIENO-ZMBJWTFHSA-N 2 1 337.552 3.341 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001180123873 1386705004 /nfs/dbraw/zinc/70/50/04/1386705004.db2.gz MAIHFPYDHSODGW-UHFFFAOYSA-N 2 1 325.541 3.031 20 0 EGADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC001320792520 1386720236 /nfs/dbraw/zinc/72/02/36/1386720236.db2.gz AXLBGIZZZOJHKG-AWEZNQCLSA-N 2 1 330.501 3.210 20 0 EGADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC001320792520 1386720239 /nfs/dbraw/zinc/72/02/39/1386720239.db2.gz AXLBGIZZZOJHKG-AWEZNQCLSA-N 2 1 330.501 3.210 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C)c1 ZINC001180226810 1386738737 /nfs/dbraw/zinc/73/87/37/1386738737.db2.gz NSKVPNQBBHKXQS-HBFSDRIKSA-N 2 1 345.531 3.284 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H](NC[C@@H]1CCC[N@@H+](CC)C1)CCC2 ZINC001320861719 1386740637 /nfs/dbraw/zinc/74/06/37/1386740637.db2.gz FDLSKJCCRQECFL-JKSUJKDBSA-N 2 1 348.487 3.464 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)CCC2 ZINC001320861719 1386740643 /nfs/dbraw/zinc/74/06/43/1386740643.db2.gz FDLSKJCCRQECFL-JKSUJKDBSA-N 2 1 348.487 3.464 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]CCCC2CCCC2)C1 ZINC001180259927 1386749144 /nfs/dbraw/zinc/74/91/44/1386749144.db2.gz PHJCWBPMXTXWBU-LJQANCHMSA-N 2 1 337.552 3.175 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001180274615 1386752271 /nfs/dbraw/zinc/75/22/71/1386752271.db2.gz NFKHQINHYUNDHL-UHFFFAOYSA-N 2 1 336.524 3.284 20 0 EGADMP CCC/C=C\CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C ZINC001180369616 1386776853 /nfs/dbraw/zinc/77/68/53/1386776853.db2.gz NZTHJNRBBBGDSM-FPLPWBNLSA-N 2 1 325.541 3.339 20 0 EGADMP CC(C)C[NH2+]CCCCCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001180375544 1386778890 /nfs/dbraw/zinc/77/88/90/1386778890.db2.gz IETJUWRJTKRDRW-LJQANCHMSA-N 2 1 333.520 3.212 20 0 EGADMP CC(C)(C)[C@]1(C[N@@H+]2CC[C@](F)(CO)C2)CC[NH+](Cc2ccccc2)C1 ZINC001181145327 1386946794 /nfs/dbraw/zinc/94/67/94/1386946794.db2.gz PLXHNERRIUWNFM-NHCUHLMSSA-N 2 1 348.506 3.331 20 0 EGADMP CC(C)(C)[C@]1(C[N@H+]2CC[C@](F)(CO)C2)CC[NH+](Cc2ccccc2)C1 ZINC001181145327 1386946796 /nfs/dbraw/zinc/94/67/96/1386946796.db2.gz PLXHNERRIUWNFM-NHCUHLMSSA-N 2 1 348.506 3.331 20 0 EGADMP CC(C)(C)[C@]1(C[NH+]2CC[C@](F)(CO)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001181145327 1386946797 /nfs/dbraw/zinc/94/67/97/1386946797.db2.gz PLXHNERRIUWNFM-NHCUHLMSSA-N 2 1 348.506 3.331 20 0 EGADMP CC(C)(C)[C@]1(C[NH+]2CC[C@](F)(CO)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001181145327 1386946799 /nfs/dbraw/zinc/94/67/99/1386946799.db2.gz PLXHNERRIUWNFM-NHCUHLMSSA-N 2 1 348.506 3.331 20 0 EGADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1Cc1cccc(C)c1 ZINC001321762289 1386979126 /nfs/dbraw/zinc/97/91/26/1386979126.db2.gz VAYHUDHPMCIPAQ-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CCCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001321762289 1386979130 /nfs/dbraw/zinc/97/91/30/1386979130.db2.gz VAYHUDHPMCIPAQ-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CCCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001321762289 1386979134 /nfs/dbraw/zinc/97/91/34/1386979134.db2.gz VAYHUDHPMCIPAQ-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CCCCC[N@@H+](C)CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001181867339 1387066841 /nfs/dbraw/zinc/06/68/41/1387066841.db2.gz UAWMBQHAMFVMIZ-HXUWFJFHSA-N 2 1 345.531 3.452 20 0 EGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC001182153199 1387113421 /nfs/dbraw/zinc/11/34/21/1387113421.db2.gz YPFXREOMCGAGRL-OAGGEKHMSA-N 2 1 348.478 3.454 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC001182153199 1387113424 /nfs/dbraw/zinc/11/34/24/1387113424.db2.gz YPFXREOMCGAGRL-OAGGEKHMSA-N 2 1 348.478 3.454 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001182614728 1387196942 /nfs/dbraw/zinc/19/69/42/1387196942.db2.gz OMSZETFMQWITID-DBXWQHBBSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)[C@H](C)CNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001329570156 1389160664 /nfs/dbraw/zinc/16/06/64/1389160664.db2.gz CJEGAPPLKSPINQ-MSOLQXFVSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC2CC(C)C2)CC1 ZINC001698721620 1406367530 /nfs/dbraw/zinc/36/75/30/1406367530.db2.gz PLSKCWNUOJZTDY-UUKMXZOPSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@@H+](CCO)CC1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC001337268465 1389290213 /nfs/dbraw/zinc/29/02/13/1389290213.db2.gz MVRINPMHBNLSAK-UHFFFAOYSA-N 2 1 345.409 3.020 20 0 EGADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC001338287595 1389619465 /nfs/dbraw/zinc/61/94/65/1389619465.db2.gz FMIZXFOKOLMQPL-SFHVURJKSA-N 2 1 331.504 3.017 20 0 EGADMP C[C@@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]C/C=C\c1ccccc1 ZINC001331562469 1389800255 /nfs/dbraw/zinc/80/02/55/1389800255.db2.gz ZHGGNXGNLJDGCJ-GFBZKKKVSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2C)[C@H]1C ZINC001332220448 1390052101 /nfs/dbraw/zinc/05/21/01/1390052101.db2.gz UDEKPFDDGPUVJD-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C)[C@H]1C ZINC001332220448 1390052104 /nfs/dbraw/zinc/05/21/04/1390052104.db2.gz UDEKPFDDGPUVJD-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C)[C@H]1C ZINC001332220448 1390052111 /nfs/dbraw/zinc/05/21/11/1390052111.db2.gz UDEKPFDDGPUVJD-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2C)C1 ZINC001332326275 1390087839 /nfs/dbraw/zinc/08/78/39/1390087839.db2.gz ZXSFYODQMOIAET-QUCCMNQESA-N 2 1 345.531 3.020 20 0 EGADMP c1ccc2c(c1)C[N@H+](C[C@H]1CC3(CO1)CC[NH2+]CC3)CC21CCC1 ZINC001334763442 1390584308 /nfs/dbraw/zinc/58/43/08/1390584308.db2.gz RPUNERYTSPMNEK-GOSISDBHSA-N 2 1 326.484 3.083 20 0 EGADMP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@@H](O)c2c(F)cccc2F)n1 ZINC001335063512 1390636911 /nfs/dbraw/zinc/63/69/11/1390636911.db2.gz ZVQZRDFNQDLYCD-WMLDXEAASA-N 2 1 347.409 3.278 20 0 EGADMP Cc1cccc(NC[C@@H]2CCCN2C[C@@H](O)c2c(F)cccc2F)n1 ZINC001335063512 1390636914 /nfs/dbraw/zinc/63/69/14/1390636914.db2.gz ZVQZRDFNQDLYCD-WMLDXEAASA-N 2 1 347.409 3.278 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c2c(n1)CCCC2 ZINC001335583150 1390705941 /nfs/dbraw/zinc/70/59/41/1390705941.db2.gz PTRWGLAEBJGDFV-JENIJYKNSA-N 2 1 327.516 3.431 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001698800553 1406475119 /nfs/dbraw/zinc/47/51/19/1406475119.db2.gz MAGAHMDNUOIPBP-SFHVURJKSA-N 2 1 335.536 3.070 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2cc(C)ccc2C)CCCC1 ZINC001698807932 1406491690 /nfs/dbraw/zinc/49/16/90/1406491690.db2.gz XNSWAFCGASTFQR-UHFFFAOYSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)c1[nH+]ccn1CC[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC001353237619 1391969430 /nfs/dbraw/zinc/96/94/30/1391969430.db2.gz DBHAVBGTKGCJKX-UHFFFAOYSA-N 2 1 334.851 3.278 20 0 EGADMP C[C@@H](C[NH2+]CC1CCCCC1)N(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001698864307 1406576955 /nfs/dbraw/zinc/57/69/55/1406576955.db2.gz RYQKPSCFWUDPJZ-SFHVURJKSA-N 2 1 345.531 3.135 20 0 EGADMP C[C@@H](C[NH2+]CC1CCCCC1)N(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001698864307 1406576959 /nfs/dbraw/zinc/57/69/59/1406576959.db2.gz RYQKPSCFWUDPJZ-SFHVURJKSA-N 2 1 345.531 3.135 20 0 EGADMP CCC(CC)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001480328627 1392688264 /nfs/dbraw/zinc/68/82/64/1392688264.db2.gz XOMDPHDQSXIFSF-GOSISDBHSA-N 2 1 348.535 3.413 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001480328627 1392688266 /nfs/dbraw/zinc/68/82/66/1392688266.db2.gz XOMDPHDQSXIFSF-GOSISDBHSA-N 2 1 348.535 3.413 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001480709980 1392871900 /nfs/dbraw/zinc/87/19/00/1392871900.db2.gz UGOPXRFUDHPZJP-RBUKOAKNSA-N 2 1 349.494 3.015 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1cc(C)cc(C)c1 ZINC001480979460 1393063889 /nfs/dbraw/zinc/06/38/89/1393063889.db2.gz JRHMJGMBDGFWFQ-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1cc(C)cc(C)c1 ZINC001480979460 1393063893 /nfs/dbraw/zinc/06/38/93/1393063893.db2.gz JRHMJGMBDGFWFQ-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1cc(C)cc(C)c1 ZINC001480979460 1393063895 /nfs/dbraw/zinc/06/38/95/1393063895.db2.gz JRHMJGMBDGFWFQ-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[C@H](C)C[NH2+][C@H](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001481340464 1393167919 /nfs/dbraw/zinc/16/79/19/1393167919.db2.gz QEXOBOVFXODOIL-DLBZAZTESA-N 2 1 348.535 3.235 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCCC1 ZINC001481385910 1394224240 /nfs/dbraw/zinc/22/42/40/1394224240.db2.gz LYGLAIQHSQLONY-BGYRXZFFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCCC1 ZINC001481385910 1394224246 /nfs/dbraw/zinc/22/42/46/1394224246.db2.gz LYGLAIQHSQLONY-BGYRXZFFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCCC1 ZINC001481385910 1394224249 /nfs/dbraw/zinc/22/42/49/1394224249.db2.gz LYGLAIQHSQLONY-BGYRXZFFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](C/C=C/c2ccccc2)C1 ZINC001490456347 1394234157 /nfs/dbraw/zinc/23/41/57/1394234157.db2.gz AKTILVDHKIAFNM-OEMHODTASA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC001490456347 1394234163 /nfs/dbraw/zinc/23/41/63/1394234163.db2.gz AKTILVDHKIAFNM-OEMHODTASA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC001490456347 1394234167 /nfs/dbraw/zinc/23/41/67/1394234167.db2.gz AKTILVDHKIAFNM-OEMHODTASA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001481539309 1394401226 /nfs/dbraw/zinc/40/12/26/1394401226.db2.gz XAFXEBAOZQIGAQ-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001481539309 1394401228 /nfs/dbraw/zinc/40/12/28/1394401228.db2.gz XAFXEBAOZQIGAQ-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001481539309 1394401230 /nfs/dbraw/zinc/40/12/30/1394401230.db2.gz XAFXEBAOZQIGAQ-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001481695451 1394456194 /nfs/dbraw/zinc/45/61/94/1394456194.db2.gz KAUUHSSECMTORE-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@H](CC)c2ccccc2)C1 ZINC001481695451 1394456198 /nfs/dbraw/zinc/45/61/98/1394456198.db2.gz KAUUHSSECMTORE-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC001481695451 1394456200 /nfs/dbraw/zinc/45/62/00/1394456200.db2.gz KAUUHSSECMTORE-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001481708356 1394467063 /nfs/dbraw/zinc/46/70/63/1394467063.db2.gz FAIVUUOJDVJTOR-LJQANCHMSA-N 2 1 345.531 3.016 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001481708356 1394467067 /nfs/dbraw/zinc/46/70/67/1394467067.db2.gz FAIVUUOJDVJTOR-LJQANCHMSA-N 2 1 345.531 3.016 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001481708356 1394467070 /nfs/dbraw/zinc/46/70/70/1394467070.db2.gz FAIVUUOJDVJTOR-LJQANCHMSA-N 2 1 345.531 3.016 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CCCC[NH+]1CC1CCCCCC1)C1CCC1 ZINC001491210303 1394473012 /nfs/dbraw/zinc/47/30/12/1394473012.db2.gz PFYCFZCKBMSAEV-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCCC1)C1CCC1 ZINC001491210303 1394473013 /nfs/dbraw/zinc/47/30/13/1394473013.db2.gz PFYCFZCKBMSAEV-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCCC1)C1CCC1 ZINC001491210303 1394473015 /nfs/dbraw/zinc/47/30/15/1394473015.db2.gz PFYCFZCKBMSAEV-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@]1(C[NH2+]C(C)C)CCCC[C@H]1C ZINC001481959795 1394620053 /nfs/dbraw/zinc/62/00/53/1394620053.db2.gz BUSDMBRXPYISIE-VQIMIIECSA-N 2 1 334.508 3.035 20 0 EGADMP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001698960389 1406713324 /nfs/dbraw/zinc/71/33/24/1406713324.db2.gz IAVZOGLJEJBGBB-DNVCBOLYSA-N 2 1 349.494 3.101 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001482064652 1394725136 /nfs/dbraw/zinc/72/51/36/1394725136.db2.gz FSHOHIKWGVSFQZ-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@]2(C)CC[N@@H+](CC3CCCC3)C2)CCCCC1 ZINC001484054764 1395217375 /nfs/dbraw/zinc/21/73/75/1395217375.db2.gz ODXMWAAKTOHQMC-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](CC[NH2+][C@H](C)c2ccccc2F)C1 ZINC001484549375 1395430877 /nfs/dbraw/zinc/43/08/77/1395430877.db2.gz JXXMZBPVWOLYFP-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@H](C(=O)N(C)CCC[N@@H+](C)[C@H](C)c1cccc(C)c1)[NH+](C)C ZINC001484765817 1395519340 /nfs/dbraw/zinc/51/93/40/1395519340.db2.gz SVWKDENUQANJGT-IEBWSBKVSA-N 2 1 333.520 3.177 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001484983685 1395625570 /nfs/dbraw/zinc/62/55/70/1395625570.db2.gz XBSXMQOEBNJBAL-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001484983685 1395625576 /nfs/dbraw/zinc/62/55/76/1395625576.db2.gz XBSXMQOEBNJBAL-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001484983685 1395625581 /nfs/dbraw/zinc/62/55/81/1395625581.db2.gz XBSXMQOEBNJBAL-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H](C(=O)N(C)CC[N@@H+](C)CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001698996868 1406796785 /nfs/dbraw/zinc/79/67/85/1406796785.db2.gz FZNYWEWPODYBGZ-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CCc1ccccc1C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001503645537 1396261349 /nfs/dbraw/zinc/26/13/49/1396261349.db2.gz DFBLPLCMNMAINA-FXAWDEMLSA-N 2 1 345.531 3.108 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)CCN(C)C(=O)CC2CC[NH+](C)CC2)c1 ZINC001496791848 1396728169 /nfs/dbraw/zinc/72/81/69/1396728169.db2.gz AVROZBAKDVGVMI-GOSISDBHSA-N 2 1 345.531 3.178 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001689902851 1404196634 /nfs/dbraw/zinc/19/66/34/1404196634.db2.gz NTYMTGSITDTKKS-QFBILLFUSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001690428963 1404554969 /nfs/dbraw/zinc/55/49/69/1404554969.db2.gz HEWOVDULHTXFPW-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CCc1ccccc1C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001690455158 1404583490 /nfs/dbraw/zinc/58/34/90/1404583490.db2.gz QNKRXFFVZUPPBS-PMACEKPBSA-N 2 1 345.531 3.060 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001725176231 1425692696 /nfs/dbraw/zinc/69/26/96/1425692696.db2.gz YDCCUSJRTURVDM-ZWKOTPCHSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC001725179465 1425701874 /nfs/dbraw/zinc/70/18/74/1425701874.db2.gz QYECMYNSOAEFHZ-QGZVFWFLSA-N 2 1 341.499 3.118 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@@H](C)c1ccccc1F ZINC001691021458 1404934654 /nfs/dbraw/zinc/93/46/54/1404934654.db2.gz AWGLUOVAWWJWGP-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)[C@@H](C)c1ccccc1F ZINC001691021458 1404934657 /nfs/dbraw/zinc/93/46/57/1404934657.db2.gz AWGLUOVAWWJWGP-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)[C@@H](C)c1ccccc1F ZINC001691021458 1404934659 /nfs/dbraw/zinc/93/46/59/1404934659.db2.gz AWGLUOVAWWJWGP-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001691083310 1405016955 /nfs/dbraw/zinc/01/69/55/1405016955.db2.gz TUAQIUHTOKQAHB-ROUUACIJSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001691083311 1405017478 /nfs/dbraw/zinc/01/74/78/1405017478.db2.gz TUAQIUHTOKQAHB-ZWKOTPCHSA-N 2 1 343.515 3.121 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001691102886 1405042608 /nfs/dbraw/zinc/04/26/08/1405042608.db2.gz QTFXDGDPPZFVEP-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001691102886 1405042610 /nfs/dbraw/zinc/04/26/10/1405042610.db2.gz QTFXDGDPPZFVEP-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001691102886 1405042616 /nfs/dbraw/zinc/04/26/16/1405042616.db2.gz QTFXDGDPPZFVEP-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]([C@H](C)c1ccccc1)C1CC1 ZINC001691211499 1405151310 /nfs/dbraw/zinc/15/13/10/1405151310.db2.gz UCWSEOYDDZBTCO-XLIONFOSSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC001691211499 1405151314 /nfs/dbraw/zinc/15/13/14/1405151314.db2.gz UCWSEOYDDZBTCO-XLIONFOSSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC001691211499 1405151319 /nfs/dbraw/zinc/15/13/19/1405151319.db2.gz UCWSEOYDDZBTCO-XLIONFOSSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCCn3cc[nH+]c3C)C2)CC1 ZINC001691277228 1405188975 /nfs/dbraw/zinc/18/89/75/1405188975.db2.gz TVQBOKZGIGATOK-KRWDZBQOSA-N 2 1 346.519 3.085 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001691686191 1405421113 /nfs/dbraw/zinc/42/11/13/1405421113.db2.gz HGVRKLLVNSHLQG-QZTJIDSGSA-N 2 1 345.531 3.306 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NCC[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001691889286 1405612649 /nfs/dbraw/zinc/61/26/49/1405612649.db2.gz ZKGHHQHAIIKPNC-MRXNPFEDSA-N 2 1 349.544 3.052 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001731630243 1427681842 /nfs/dbraw/zinc/68/18/42/1427681842.db2.gz WJACAZHUJNXWNF-WWDZGPRUSA-N 2 1 339.568 3.275 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH+](C)CC2CCCCC2)CC1 ZINC001692026365 1405743884 /nfs/dbraw/zinc/74/38/84/1405743884.db2.gz IVKIHGHTWCNADA-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC(C[N@H+](C)CC2CCCCC2)CC1 ZINC001692026365 1405743889 /nfs/dbraw/zinc/74/38/89/1405743889.db2.gz IVKIHGHTWCNADA-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC(C[N@@H+](C)CC2CCCCC2)CC1 ZINC001692026365 1405743892 /nfs/dbraw/zinc/74/38/92/1405743892.db2.gz IVKIHGHTWCNADA-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001698563898 1406164485 /nfs/dbraw/zinc/16/44/85/1406164485.db2.gz RKAUGYDOHYVBJO-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)C[N@H+](C)C1CCC1)[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001698563898 1406164492 /nfs/dbraw/zinc/16/44/92/1406164492.db2.gz RKAUGYDOHYVBJO-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)C[N@@H+](C)C1CCC1)[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001698563898 1406164493 /nfs/dbraw/zinc/16/44/93/1406164493.db2.gz RKAUGYDOHYVBJO-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(CC)cc2)C1 ZINC001698572310 1406177334 /nfs/dbraw/zinc/17/73/34/1406177334.db2.gz DZVFODNPVZQPHY-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(CC)cc2)C1 ZINC001698572310 1406177335 /nfs/dbraw/zinc/17/73/35/1406177335.db2.gz DZVFODNPVZQPHY-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(CC)cc2)C1 ZINC001698572310 1406177339 /nfs/dbraw/zinc/17/73/39/1406177339.db2.gz DZVFODNPVZQPHY-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001698588634 1406208499 /nfs/dbraw/zinc/20/84/99/1406208499.db2.gz RPVRHUDADQRRIY-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CC[NH+](Cc2cc(C)ccc2C)C1 ZINC001698588634 1406208501 /nfs/dbraw/zinc/20/85/01/1406208501.db2.gz RPVRHUDADQRRIY-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CC[NH+](Cc2cc(C)ccc2C)C1 ZINC001698588634 1406208509 /nfs/dbraw/zinc/20/85/09/1406208509.db2.gz RPVRHUDADQRRIY-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP C[C@@H]([NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC001732291431 1428516722 /nfs/dbraw/zinc/51/67/22/1428516722.db2.gz FFVADIBQNMYQOV-XLIONFOSSA-N 2 1 343.515 3.060 20 0 EGADMP Cc1cc(C)cc(C[N@H+](C)C[C@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001699473952 1412862042 /nfs/dbraw/zinc/86/20/42/1412862042.db2.gz GHJGKZJZRSJRQR-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001699827177 1413254441 /nfs/dbraw/zinc/25/44/41/1413254441.db2.gz VNIUSTOCSHBBRS-NQIIRXRSSA-N 2 1 343.515 3.204 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001699978257 1413422745 /nfs/dbraw/zinc/42/27/45/1413422745.db2.gz WROJEEARWPMLOG-ACDBMABISA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+](CCC)C1 ZINC001700199110 1413641003 /nfs/dbraw/zinc/64/10/03/1413641003.db2.gz SYZHEWUKGUMODF-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+](CCC)C1 ZINC001700199110 1413641005 /nfs/dbraw/zinc/64/10/05/1413641005.db2.gz SYZHEWUKGUMODF-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+](CCC)C1 ZINC001700199110 1413641010 /nfs/dbraw/zinc/64/10/10/1413641010.db2.gz SYZHEWUKGUMODF-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001700293906 1413751247 /nfs/dbraw/zinc/75/12/47/1413751247.db2.gz KRAWJUZLWOBXQX-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CCCC(C)(C)C ZINC001700318993 1413782674 /nfs/dbraw/zinc/78/26/74/1413782674.db2.gz XVOBRLBVWNKASL-SJORKVTESA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)[C@@H](C)c1ccccc1F ZINC001700477654 1414107956 /nfs/dbraw/zinc/10/79/56/1414107956.db2.gz SEMKCSSPDXXIQY-HOTGVXAUSA-N 2 1 349.494 3.055 20 0 EGADMP CN(CC[N@@H+](C)CCC1CCCCCC1)C(=O)C1([NH+](C)C)CCC1 ZINC001732585423 1428798559 /nfs/dbraw/zinc/79/85/59/1428798559.db2.gz MXWKRXZRAVFXHM-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)[C@@H](C)c2ccccc2C)CC1 ZINC001700696810 1414355068 /nfs/dbraw/zinc/35/50/68/1414355068.db2.gz PKUKQGOUBBJLRZ-SFHVURJKSA-N 2 1 345.531 3.321 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)[C@@H](C)c2ccccc2C)CC1 ZINC001700696810 1414355072 /nfs/dbraw/zinc/35/50/72/1414355072.db2.gz PKUKQGOUBBJLRZ-SFHVURJKSA-N 2 1 345.531 3.321 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)[C@@H](C)c2ccccc2C)CC1 ZINC001700696810 1414355076 /nfs/dbraw/zinc/35/50/76/1414355076.db2.gz PKUKQGOUBBJLRZ-SFHVURJKSA-N 2 1 345.531 3.321 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001733043007 1429172796 /nfs/dbraw/zinc/17/27/96/1429172796.db2.gz BRRJYQJSEMKSLP-AEFFLSMTSA-N 2 1 331.504 3.059 20 0 EGADMP CCc1ccccc1C[NH+]1CCCC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001713257115 1417859444 /nfs/dbraw/zinc/85/94/44/1417859444.db2.gz VKIGYTDTYZAXRI-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCc1ccccc1C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001713257115 1417859449 /nfs/dbraw/zinc/85/94/49/1417859449.db2.gz VKIGYTDTYZAXRI-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCc1ccccc1C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001713257115 1417859457 /nfs/dbraw/zinc/85/94/57/1417859457.db2.gz VKIGYTDTYZAXRI-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713276521 1417896992 /nfs/dbraw/zinc/89/69/92/1417896992.db2.gz WTJXCRCISHUDOE-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001713399963 1418020271 /nfs/dbraw/zinc/02/02/71/1418020271.db2.gz WVGOFPDNJISYGE-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)c1ccc2ccccc2c1 ZINC001713474014 1418150121 /nfs/dbraw/zinc/15/01/21/1418150121.db2.gz DPJUIARDHHUZNR-KRWDZBQOSA-N 2 1 341.499 3.291 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)[C@@H](C)c1ccc2ccccc2c1 ZINC001713474014 1418150125 /nfs/dbraw/zinc/15/01/25/1418150125.db2.gz DPJUIARDHHUZNR-KRWDZBQOSA-N 2 1 341.499 3.291 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@@H](C)c1ccc2ccccc2c1 ZINC001713474014 1418150128 /nfs/dbraw/zinc/15/01/28/1418150128.db2.gz DPJUIARDHHUZNR-KRWDZBQOSA-N 2 1 341.499 3.291 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCCC2)CC1 ZINC001713516247 1418252099 /nfs/dbraw/zinc/25/20/99/1418252099.db2.gz JXUKPRLVNHSKOI-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(CCC[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001713520331 1418261826 /nfs/dbraw/zinc/26/18/26/1418261826.db2.gz SHVZDZGHKYWGDW-FQEVSTJZSA-N 2 1 349.563 3.413 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001713541787 1418303825 /nfs/dbraw/zinc/30/38/25/1418303825.db2.gz NUNRJPIMHIPBGB-RBUKOAKNSA-N 2 1 343.515 3.062 20 0 EGADMP CCC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)CC1CCCCC1 ZINC001713551459 1418334088 /nfs/dbraw/zinc/33/40/88/1418334088.db2.gz ODIDFPUXPGVDTB-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](CC1CCCCC1)C1CC1 ZINC001713566149 1418377480 /nfs/dbraw/zinc/37/74/80/1418377480.db2.gz OFWIHUIQOYXLIG-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](CC1CCCCC1)C1CC1 ZINC001713566149 1418377483 /nfs/dbraw/zinc/37/74/83/1418377483.db2.gz OFWIHUIQOYXLIG-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](CC1CCCCC1)C1CC1 ZINC001713566149 1418377484 /nfs/dbraw/zinc/37/74/84/1418377484.db2.gz OFWIHUIQOYXLIG-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccc(C)cc1C ZINC001714117260 1418920142 /nfs/dbraw/zinc/92/01/42/1418920142.db2.gz UGYFBHGMGLXXLN-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)cc1C ZINC001714117260 1418920143 /nfs/dbraw/zinc/92/01/43/1418920143.db2.gz UGYFBHGMGLXXLN-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C)cc1C ZINC001714117260 1418920148 /nfs/dbraw/zinc/92/01/48/1418920148.db2.gz UGYFBHGMGLXXLN-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1C ZINC001714117567 1418920911 /nfs/dbraw/zinc/92/09/11/1418920911.db2.gz ZDFCWTAQCUFPEA-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1C ZINC001714117567 1418920914 /nfs/dbraw/zinc/92/09/14/1418920914.db2.gz ZDFCWTAQCUFPEA-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1C ZINC001714117567 1418920915 /nfs/dbraw/zinc/92/09/15/1418920915.db2.gz ZDFCWTAQCUFPEA-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C[NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC001714148593 1418954215 /nfs/dbraw/zinc/95/42/15/1418954215.db2.gz PLZLUOFDXKQRST-KRWDZBQOSA-N 2 1 331.504 3.108 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001714318450 1419096987 /nfs/dbraw/zinc/09/69/87/1419096987.db2.gz ZDGSCEXZOZZZAN-PXNSSMCTSA-N 2 1 345.531 3.169 20 0 EGADMP C[N@H+](C/C=C\c1ccccc1)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714541705 1419267238 /nfs/dbraw/zinc/26/72/38/1419267238.db2.gz AUDWPPUBPNGCAH-RAXLEYEMSA-N 2 1 343.515 3.012 20 0 EGADMP CCc1ccc(C[NH+](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001714563689 1419291270 /nfs/dbraw/zinc/29/12/70/1419291270.db2.gz HPLGFDZPHYNFLQ-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[NH+](C)CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001714563689 1419291272 /nfs/dbraw/zinc/29/12/72/1419291272.db2.gz HPLGFDZPHYNFLQ-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001714590380 1419337108 /nfs/dbraw/zinc/33/71/08/1419337108.db2.gz WAHSHPFCLWBNMK-LJQANCHMSA-N 2 1 349.494 3.057 20 0 EGADMP C[C@H](C[NH2+]CC1CCC(C)(C)CC1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001714656664 1419438285 /nfs/dbraw/zinc/43/82/85/1419438285.db2.gz MCLVQMNJXQMNOS-MRXNPFEDSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715020853 1419751674 /nfs/dbraw/zinc/75/16/74/1419751674.db2.gz MNNLDULRFAPBNO-IEBWSBKVSA-N 2 1 343.515 3.073 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001715020853 1419751678 /nfs/dbraw/zinc/75/16/78/1419751678.db2.gz MNNLDULRFAPBNO-IEBWSBKVSA-N 2 1 343.515 3.073 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001715020853 1419751681 /nfs/dbraw/zinc/75/16/81/1419751681.db2.gz MNNLDULRFAPBNO-IEBWSBKVSA-N 2 1 343.515 3.073 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C/c2ccccc2)CC1 ZINC001715191537 1419923645 /nfs/dbraw/zinc/92/36/45/1419923645.db2.gz SGXWBAWRPBOJLU-VLDZCOSFSA-N 2 1 343.515 3.059 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001715521325 1420207437 /nfs/dbraw/zinc/20/74/37/1420207437.db2.gz PCXBTUYGINNDEL-QUCCMNQESA-N 2 1 345.531 3.319 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001715521325 1420207440 /nfs/dbraw/zinc/20/74/40/1420207440.db2.gz PCXBTUYGINNDEL-QUCCMNQESA-N 2 1 345.531 3.319 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001715521325 1420207443 /nfs/dbraw/zinc/20/74/43/1420207443.db2.gz PCXBTUYGINNDEL-QUCCMNQESA-N 2 1 345.531 3.319 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001715530960 1420221619 /nfs/dbraw/zinc/22/16/19/1420221619.db2.gz OLYDBXSYCQZTSJ-GOSISDBHSA-N 2 1 349.494 3.009 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001716853617 1420985021 /nfs/dbraw/zinc/98/50/21/1420985021.db2.gz FHGGVEQICRLKMC-AZUAARDMSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC2CCCCCC2)CC1 ZINC001716883343 1421007290 /nfs/dbraw/zinc/00/72/90/1421007290.db2.gz QLICBTOJWMLSJC-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001717368451 1421305203 /nfs/dbraw/zinc/30/52/03/1421305203.db2.gz CKBGSKMKWXCEGM-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[NH+](C)C[C@H]1CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001717368451 1421305207 /nfs/dbraw/zinc/30/52/07/1421305207.db2.gz CKBGSKMKWXCEGM-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[NH+](C)C[C@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001717368451 1421305210 /nfs/dbraw/zinc/30/52/10/1421305210.db2.gz CKBGSKMKWXCEGM-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001717451409 1421381320 /nfs/dbraw/zinc/38/13/20/1421381320.db2.gz SUJBCSQGUKNBKV-MJGOQNOKSA-N 2 1 345.531 3.224 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCC2CCCC2)CC1 ZINC001717495072 1421435290 /nfs/dbraw/zinc/43/52/90/1421435290.db2.gz RSEWWHDTACICRY-KRWDZBQOSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C[C@H]1C ZINC001717827397 1421641223 /nfs/dbraw/zinc/64/12/23/1421641223.db2.gz IAFUJLLDPIGUQI-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@]1(NC(=O)CCC[NH+]2CCCC2)CC[N@@H+](CCCC2CCCC2)C1 ZINC001733418601 1429623563 /nfs/dbraw/zinc/62/35/63/1429623563.db2.gz XUKWOIFCVBOPFO-OAQYLSRUSA-N 2 1 349.563 3.413 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@@H](C)c1ccccc1Cl ZINC001722904622 1424231202 /nfs/dbraw/zinc/23/12/02/1424231202.db2.gz KALIFCLOIVQMLX-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC001722904622 1424231207 /nfs/dbraw/zinc/23/12/07/1424231207.db2.gz KALIFCLOIVQMLX-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC001722904622 1424231213 /nfs/dbraw/zinc/23/12/13/1424231213.db2.gz KALIFCLOIVQMLX-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001723939648 1424609255 /nfs/dbraw/zinc/60/92/55/1424609255.db2.gz ISVFZDILGQXKER-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CCCC1CCCC1 ZINC001725004135 1425416935 /nfs/dbraw/zinc/41/69/35/1425416935.db2.gz UOZQRODXLWYEGG-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](CC)CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001725022075 1425437466 /nfs/dbraw/zinc/43/74/66/1425437466.db2.gz BBNMWNSBYSOYSV-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001725056202 1425492541 /nfs/dbraw/zinc/49/25/41/1425492541.db2.gz RYPRFXRBMXWFFX-OALUTQOASA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001725056202 1425492544 /nfs/dbraw/zinc/49/25/44/1425492544.db2.gz RYPRFXRBMXWFFX-OALUTQOASA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001725056202 1425492547 /nfs/dbraw/zinc/49/25/47/1425492547.db2.gz RYPRFXRBMXWFFX-OALUTQOASA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001725419605 1426067885 /nfs/dbraw/zinc/06/78/85/1426067885.db2.gz GBSYCEOAQHUJMC-QGZVFWFLSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2c(C)cccc2C)C[C@@H]1C ZINC001725581763 1426237959 /nfs/dbraw/zinc/23/79/59/1426237959.db2.gz BWAWVOMGNBQACX-OALUTQOASA-N 2 1 345.531 3.114 20 0 EGADMP CCC(CC)C[NH+]1CCC(N(C)C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001731350503 1427288677 /nfs/dbraw/zinc/28/86/77/1427288677.db2.gz HAUIXEYEUWHPLU-UHFFFAOYSA-N 2 1 348.535 3.331 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)Cc2ccc(C)cc2)C1 ZINC001731417147 1427388714 /nfs/dbraw/zinc/38/87/14/1427388714.db2.gz BOIYHIFAIXFWIO-HXUWFJFHSA-N 2 1 345.531 3.007 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)Cc2ccc(C)cc2)C1 ZINC001731417147 1427388718 /nfs/dbraw/zinc/38/87/18/1427388718.db2.gz BOIYHIFAIXFWIO-HXUWFJFHSA-N 2 1 345.531 3.007 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccc(C)cc2)C1 ZINC001731417147 1427388721 /nfs/dbraw/zinc/38/87/21/1427388721.db2.gz BOIYHIFAIXFWIO-HXUWFJFHSA-N 2 1 345.531 3.007 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1ccc(C)cc1C ZINC001731542328 1427552354 /nfs/dbraw/zinc/55/23/54/1427552354.db2.gz GMRBKFZXCJIIIN-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C)cc1C ZINC001731542328 1427552357 /nfs/dbraw/zinc/55/23/57/1427552357.db2.gz GMRBKFZXCJIIIN-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C)cc1C ZINC001731542328 1427552362 /nfs/dbraw/zinc/55/23/62/1427552362.db2.gz GMRBKFZXCJIIIN-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001731696493 1427746434 /nfs/dbraw/zinc/74/64/34/1427746434.db2.gz ATZVBCBNIPQYHN-PMACEKPBSA-N 2 1 345.531 3.108 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001731721592 1427791885 /nfs/dbraw/zinc/79/18/85/1427791885.db2.gz VIYCDFGXKAKTSA-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001731721592 1427791891 /nfs/dbraw/zinc/79/18/91/1427791891.db2.gz VIYCDFGXKAKTSA-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001731721592 1427791893 /nfs/dbraw/zinc/79/18/93/1427791893.db2.gz VIYCDFGXKAKTSA-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)CC1CCCCC1 ZINC001731769137 1427879118 /nfs/dbraw/zinc/87/91/18/1427879118.db2.gz DISKOQKEBQEIDH-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)CC1CCCCC1 ZINC001731769137 1427879122 /nfs/dbraw/zinc/87/91/22/1427879122.db2.gz DISKOQKEBQEIDH-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)CC1CCCCC1 ZINC001731769137 1427879125 /nfs/dbraw/zinc/87/91/25/1427879125.db2.gz DISKOQKEBQEIDH-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+](CCNC(=O)CCC[NH+]1CCCCC1)CC1CCCCCC1 ZINC001731794308 1427943269 /nfs/dbraw/zinc/94/32/69/1427943269.db2.gz ARBJUBFSYBYRHK-UHFFFAOYSA-N 2 1 337.552 3.271 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1)CC(C)(C)C ZINC001731834045 1428048004 /nfs/dbraw/zinc/04/80/04/1428048004.db2.gz JNXRYRPKVQDTHV-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCC1)CC(C)(C)C ZINC001731834045 1428048006 /nfs/dbraw/zinc/04/80/06/1428048006.db2.gz JNXRYRPKVQDTHV-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCC1)CC(C)(C)C ZINC001731834045 1428048008 /nfs/dbraw/zinc/04/80/08/1428048008.db2.gz JNXRYRPKVQDTHV-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CN(CCC[N@@H+](C)CC1CCCCC1)C(=O)C[NH+](C)CC(C)(C)C ZINC001733776959 1430025137 /nfs/dbraw/zinc/02/51/37/1430025137.db2.gz CGUIECGCQLKMME-UHFFFAOYSA-N 2 1 339.568 3.325 20 0 EGADMP CN(CCC[NH+](C)CC1CCCCC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001733776959 1430025141 /nfs/dbraw/zinc/02/51/41/1430025141.db2.gz CGUIECGCQLKMME-UHFFFAOYSA-N 2 1 339.568 3.325 20 0 EGADMP CN(CCC[NH+](C)CC1CCCCC1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001733776959 1430025147 /nfs/dbraw/zinc/02/51/47/1430025147.db2.gz CGUIECGCQLKMME-UHFFFAOYSA-N 2 1 339.568 3.325 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH+](C)CCCC(C)(C)C)CC1 ZINC001734274455 1438008306 /nfs/dbraw/zinc/00/83/06/1438008306.db2.gz MDEXXLFBHSEFPR-UHFFFAOYSA-N 2 1 339.568 3.467 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([N@H+](C)CCCC(C)(C)C)CC1 ZINC001734274455 1438008317 /nfs/dbraw/zinc/00/83/17/1438008317.db2.gz MDEXXLFBHSEFPR-UHFFFAOYSA-N 2 1 339.568 3.467 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([N@@H+](C)CCCC(C)(C)C)CC1 ZINC001734274455 1438008320 /nfs/dbraw/zinc/00/83/20/1438008320.db2.gz MDEXXLFBHSEFPR-UHFFFAOYSA-N 2 1 339.568 3.467 20 0 EGADMP Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001734425082 1438091531 /nfs/dbraw/zinc/09/15/31/1438091531.db2.gz PXKSRDRVDKGUKA-IEBWSBKVSA-N 2 1 345.531 3.052 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCCNC(=O)C[C@H]2CC[NH+](C)C2)c1 ZINC001752098490 1440140786 /nfs/dbraw/zinc/14/07/86/1440140786.db2.gz JGQQCQSNJXRNON-RTBURBONSA-N 2 1 345.531 3.144 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+](C)CCCNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001752098490 1440140788 /nfs/dbraw/zinc/14/07/88/1440140788.db2.gz JGQQCQSNJXRNON-RTBURBONSA-N 2 1 345.531 3.144 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+](C)CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001752098490 1440140789 /nfs/dbraw/zinc/14/07/89/1440140789.db2.gz JGQQCQSNJXRNON-RTBURBONSA-N 2 1 345.531 3.144 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001752155417 1440146839 /nfs/dbraw/zinc/14/68/39/1440146839.db2.gz GQZPVMLPLJYNGR-LPHOPBHVSA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001752159337 1440148396 /nfs/dbraw/zinc/14/83/96/1440148396.db2.gz PKRXVCDHCNADIV-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH+](CC(C)C)CC1 ZINC001752439755 1440180919 /nfs/dbraw/zinc/18/09/19/1440180919.db2.gz NHQOFSDYTOJRTD-ROUUACIJSA-N 2 1 337.552 3.076 20 0 EGADMP CCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001752545688 1440195070 /nfs/dbraw/zinc/19/50/70/1440195070.db2.gz ZKNDAKGCYAGZDQ-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](C)CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCCC2)CC1 ZINC001752697968 1440201360 /nfs/dbraw/zinc/20/13/60/1440201360.db2.gz XPZJIJJXUZLWHY-YQQQUEKLSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001752787133 1440211837 /nfs/dbraw/zinc/21/18/37/1440211837.db2.gz HGDYGALJRIVYRZ-AZUAARDMSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001752787133 1440211838 /nfs/dbraw/zinc/21/18/38/1440211838.db2.gz HGDYGALJRIVYRZ-AZUAARDMSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001752787133 1440211839 /nfs/dbraw/zinc/21/18/39/1440211839.db2.gz HGDYGALJRIVYRZ-AZUAARDMSA-N 2 1 347.547 3.047 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001752809552 1440216340 /nfs/dbraw/zinc/21/63/40/1440216340.db2.gz GPWDWOFATNJCMU-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC001752816380 1440218118 /nfs/dbraw/zinc/21/81/18/1440218118.db2.gz ZSJRTIULZJRCMF-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001752835542 1440227544 /nfs/dbraw/zinc/22/75/44/1440227544.db2.gz GHXMYIQTXNENGE-IRXDYDNUSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001752835542 1440227545 /nfs/dbraw/zinc/22/75/45/1440227545.db2.gz GHXMYIQTXNENGE-IRXDYDNUSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001752835542 1440227546 /nfs/dbraw/zinc/22/75/46/1440227546.db2.gz GHXMYIQTXNENGE-IRXDYDNUSA-N 2 1 337.552 3.265 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001752851101 1440233603 /nfs/dbraw/zinc/23/36/03/1440233603.db2.gz ZUKACJZIHVWNOJ-SOAGJPPSSA-N 2 1 349.563 3.458 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001752993113 1440260440 /nfs/dbraw/zinc/26/04/40/1440260440.db2.gz ARIIBEDFYXEFRC-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001752993113 1440260441 /nfs/dbraw/zinc/26/04/41/1440260441.db2.gz ARIIBEDFYXEFRC-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001752993113 1440260442 /nfs/dbraw/zinc/26/04/42/1440260442.db2.gz ARIIBEDFYXEFRC-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001753030047 1440272667 /nfs/dbraw/zinc/27/26/67/1440272667.db2.gz OBDHEXFCYMPEAD-KRWDZBQOSA-N 2 1 342.487 3.417 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001753033122 1440273547 /nfs/dbraw/zinc/27/35/47/1440273547.db2.gz FISMVQUJZAOFHC-PHWHVTFISA-N 2 1 335.536 3.045 20 0 EGADMP Cc1cccc(C)c1C[N@@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C ZINC001753034317 1440274132 /nfs/dbraw/zinc/27/41/32/1440274132.db2.gz FVFOBMVNMYMBTD-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001753036776 1440274760 /nfs/dbraw/zinc/27/47/60/1440274760.db2.gz FGRBAYLWEPAKEK-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CCC2(CC2)CC1 ZINC001753055198 1440281028 /nfs/dbraw/zinc/28/10/28/1440281028.db2.gz KUWIFSQSXACJGT-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC1CCC2(CC2)CC1 ZINC001753055198 1440281029 /nfs/dbraw/zinc/28/10/29/1440281029.db2.gz KUWIFSQSXACJGT-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001753055198 1440281030 /nfs/dbraw/zinc/28/10/30/1440281030.db2.gz KUWIFSQSXACJGT-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCC[N@H+](C)CCCC(C)(C)C)c1ccccc1 ZINC001753074869 1440290778 /nfs/dbraw/zinc/29/07/78/1440290778.db2.gz UOHQYEKNXUGUOE-SFHVURJKSA-N 2 1 333.520 3.164 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCC[N@@H+](C)CCCC(C)(C)C)c1ccccc1 ZINC001753074869 1440290779 /nfs/dbraw/zinc/29/07/79/1440290779.db2.gz UOHQYEKNXUGUOE-SFHVURJKSA-N 2 1 333.520 3.164 20 0 EGADMP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC[N@H+]2CCC2CCCCC2)CC1 ZINC001753113093 1440309912 /nfs/dbraw/zinc/30/99/12/1440309912.db2.gz KOODOXBQIATHIO-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@H](C)c1cccc(F)c1 ZINC001753116797 1440311700 /nfs/dbraw/zinc/31/17/00/1440311700.db2.gz OUJGMCKBWYBYCF-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)c1cccc(F)c1 ZINC001753116797 1440311701 /nfs/dbraw/zinc/31/17/01/1440311701.db2.gz OUJGMCKBWYBYCF-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1[C@H](C)c1cccc(F)c1 ZINC001753116797 1440311702 /nfs/dbraw/zinc/31/17/02/1440311702.db2.gz OUJGMCKBWYBYCF-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C)c(C)c1 ZINC001753117128 1440312061 /nfs/dbraw/zinc/31/20/61/1440312061.db2.gz WBTFVCVEWKMTRO-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C)c(C)c1 ZINC001753117128 1440312062 /nfs/dbraw/zinc/31/20/62/1440312062.db2.gz WBTFVCVEWKMTRO-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C)c(C)c1 ZINC001753117128 1440312063 /nfs/dbraw/zinc/31/20/63/1440312063.db2.gz WBTFVCVEWKMTRO-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)CC1CC2(CCC2)C1 ZINC001753148105 1440325874 /nfs/dbraw/zinc/32/58/74/1440325874.db2.gz GAOMFKLLPPDUHX-UHFFFAOYSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC1CCCCCC1 ZINC001753295125 1440351872 /nfs/dbraw/zinc/35/18/72/1440351872.db2.gz DXAKNARBWKEUDC-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)CC1CCCCCC1 ZINC001753295125 1440351873 /nfs/dbraw/zinc/35/18/73/1440351873.db2.gz DXAKNARBWKEUDC-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC1CCCCCC1 ZINC001753295125 1440351874 /nfs/dbraw/zinc/35/18/74/1440351874.db2.gz DXAKNARBWKEUDC-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CCCN(C(=O)CC[NH+]1CCCCC1)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001753322220 1440364161 /nfs/dbraw/zinc/36/41/61/1440364161.db2.gz FSCBXMVRBFUVPU-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001753325776 1440366514 /nfs/dbraw/zinc/36/65/14/1440366514.db2.gz DGGCTFNSHGZLRW-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)[C@@H]1CC[NH+](CCCC(C)C)C1 ZINC001753325776 1440366515 /nfs/dbraw/zinc/36/65/15/1440366515.db2.gz DGGCTFNSHGZLRW-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCCN(C(=O)C[N@H+]1CC[C@H](C)C1)[C@@H]1CC[NH+](CCCC(C)C)C1 ZINC001753325776 1440366516 /nfs/dbraw/zinc/36/65/16/1440366516.db2.gz DGGCTFNSHGZLRW-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001753337134 1440372962 /nfs/dbraw/zinc/37/29/62/1440372962.db2.gz HOXGQBNVXHWPOT-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](CCC1CCCCCC1)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001753359715 1440381975 /nfs/dbraw/zinc/38/19/75/1440381975.db2.gz JNICHYZSDNBJHB-HXUWFJFHSA-N 2 1 349.563 3.223 20 0 EGADMP C[N@@H+](CC(=O)NC1C[NH+](CC2CCC(C(C)(C)C)CC2)C1)C1CCC1 ZINC001753378774 1440387536 /nfs/dbraw/zinc/38/75/36/1440387536.db2.gz WAFYXTYQZBHERV-UHFFFAOYSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001753445429 1440403619 /nfs/dbraw/zinc/40/36/19/1440403619.db2.gz LUKLTRICNULLPS-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001753445429 1440403620 /nfs/dbraw/zinc/40/36/20/1440403620.db2.gz LUKLTRICNULLPS-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001753458547 1440409595 /nfs/dbraw/zinc/40/95/95/1440409595.db2.gz ILHWWKUXGQUSGX-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP CCN(C(=O)CC[N@H+](C)CC)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001753458547 1440409596 /nfs/dbraw/zinc/40/95/96/1440409596.db2.gz ILHWWKUXGQUSGX-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP CCN(C(=O)CC[N@@H+](C)CC)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001753458547 1440409597 /nfs/dbraw/zinc/40/95/97/1440409597.db2.gz ILHWWKUXGQUSGX-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP CCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001753462778 1440411630 /nfs/dbraw/zinc/41/16/30/1440411630.db2.gz XHMZEPOCPRHXLY-IBGZPJMESA-N 2 1 349.563 3.388 20 0 EGADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)[NH2+]Cc1c(C)cccc1C ZINC001753471386 1440414035 /nfs/dbraw/zinc/41/40/35/1440414035.db2.gz LUPQCFXNZICWDN-AZUAARDMSA-N 2 1 345.531 3.161 20 0 EGADMP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC/C=C\c1ccccc1 ZINC001753484676 1440417486 /nfs/dbraw/zinc/41/74/86/1440417486.db2.gz QHUSMYUVEFWGCE-XVSJEAIRSA-N 2 1 343.515 3.059 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C[NH2+]Cc2c(C)cccc2C)CCCC1 ZINC001753510609 1440425848 /nfs/dbraw/zinc/42/58/48/1440425848.db2.gz XDJXZBCPKCRHPK-UHFFFAOYSA-N 2 1 345.531 3.164 20 0 EGADMP C[N@@H+](CC(=O)N[C@](C)(C[NH2+]CC1CCCC1)C1CC1)CC(C)(C)C ZINC001753524483 1440429310 /nfs/dbraw/zinc/42/93/10/1440429310.db2.gz FOWFQAKVOVCUED-HXUWFJFHSA-N 2 1 337.552 3.029 20 0 EGADMP CCC(CC)C[NH2+]C[C@@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@H]1C ZINC001753532781 1440431506 /nfs/dbraw/zinc/43/15/06/1440431506.db2.gz FIYSZABKDPKXJO-UZLBHIALSA-N 2 1 348.535 3.282 20 0 EGADMP CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001753559923 1440436681 /nfs/dbraw/zinc/43/66/81/1440436681.db2.gz XRXVDEMINGIPRZ-ICSRJNTNSA-N 2 1 345.531 3.308 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001753595427 1440444437 /nfs/dbraw/zinc/44/44/37/1440444437.db2.gz XUMOWMZWCKFTHL-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC1CC[NH+](CCC(C)C)CC1 ZINC001753599508 1440445951 /nfs/dbraw/zinc/44/59/51/1440445951.db2.gz DGFSDFPZWOZQMD-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001753612558 1440449271 /nfs/dbraw/zinc/44/92/71/1440449271.db2.gz HXAYCLFCWIWNPP-MJGOQNOKSA-N 2 1 337.552 3.172 20 0 EGADMP C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C[NH2+]CC1CC(C)C1 ZINC001753623230 1440450806 /nfs/dbraw/zinc/45/08/06/1440450806.db2.gz XXZUDDUUEHFLCK-AQFXKWCLSA-N 2 1 337.552 3.027 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1=CCCCC1 ZINC001753726075 1440474502 /nfs/dbraw/zinc/47/45/02/1440474502.db2.gz MAHIJFDRVJSDQE-IEBWSBKVSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[N@@H+](C)CCC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001753821776 1440496601 /nfs/dbraw/zinc/49/66/01/1440496601.db2.gz QSZRZIUJBHECHP-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP CN(CC[N@@H+](C)Cc1ccccc1)C(=O)c1sccc1C[NH+](C)C ZINC001753854570 1440508377 /nfs/dbraw/zinc/50/83/77/1440508377.db2.gz PAAXFVBLONINEW-UHFFFAOYSA-N 2 1 345.512 3.014 20 0 EGADMP C[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC2CCC(C)(C)CC2)C1 ZINC001753875914 1440519388 /nfs/dbraw/zinc/51/93/88/1440519388.db2.gz OOYUPBNXMBPZDY-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@@H]21 ZINC001753878142 1440519994 /nfs/dbraw/zinc/51/99/94/1440519994.db2.gz NXPIQTGCCRMUTG-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCN(CC[NH2+]CCCC1CCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001754071509 1440538147 /nfs/dbraw/zinc/53/81/47/1440538147.db2.gz DHLOJJBEWWNVID-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H](C[NH2+]Cc1ccccc1C1CC1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001754270847 1440561563 /nfs/dbraw/zinc/56/15/63/1440561563.db2.gz RRQCZVFAARHGMN-QFBILLFUSA-N 2 1 343.515 3.033 20 0 EGADMP C[C@@H](C[N@@H+](C)CC1CCCCCC1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001754323922 1440579545 /nfs/dbraw/zinc/57/95/45/1440579545.db2.gz NNAIZXQQTZFGOK-LNLFQRSKSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H](C[NH+](C)CC1CCCCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001754323922 1440579546 /nfs/dbraw/zinc/57/95/46/1440579546.db2.gz NNAIZXQQTZFGOK-LNLFQRSKSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H](C[NH+](C)CC1CCCCCC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001754323922 1440579547 /nfs/dbraw/zinc/57/95/47/1440579547.db2.gz NNAIZXQQTZFGOK-LNLFQRSKSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001754554550 1440630913 /nfs/dbraw/zinc/63/09/13/1440630913.db2.gz LZLVXMVPYMWWLE-HDICACEKSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001754560605 1440633556 /nfs/dbraw/zinc/63/35/56/1440633556.db2.gz RHGOPFLPJIZTEQ-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001754565733 1440635449 /nfs/dbraw/zinc/63/54/49/1440635449.db2.gz SJYQTJVBKQZRFG-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001754565733 1440635450 /nfs/dbraw/zinc/63/54/50/1440635450.db2.gz SJYQTJVBKQZRFG-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001754565733 1440635451 /nfs/dbraw/zinc/63/54/51/1440635451.db2.gz SJYQTJVBKQZRFG-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001754566155 1440635736 /nfs/dbraw/zinc/63/57/36/1440635736.db2.gz WUPLVRORUCUYDL-AZUAARDMSA-N 2 1 349.563 3.077 20 0 EGADMP CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C2)c1 ZINC001754602939 1440642768 /nfs/dbraw/zinc/64/27/68/1440642768.db2.gz FFPIXZQSTXTOEB-YLJYHZDGSA-N 2 1 345.531 3.058 20 0 EGADMP CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001754702108 1440668145 /nfs/dbraw/zinc/66/81/45/1440668145.db2.gz NLFXHCJJXWZQTJ-HXUWFJFHSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)[NH+]1CCCCCC1 ZINC001754830980 1440695030 /nfs/dbraw/zinc/69/50/30/1440695030.db2.gz KLIOVZXTQULVJJ-RSPOEFSDSA-N 2 1 347.547 3.020 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001755078102 1440749952 /nfs/dbraw/zinc/74/99/52/1440749952.db2.gz IQQSAISYTOZCRR-HXUWFJFHSA-N 2 1 347.547 3.120 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001755142310 1440761419 /nfs/dbraw/zinc/76/14/19/1440761419.db2.gz QJZLBVJCZRECQK-WMZOPIPTSA-N 2 1 348.535 3.235 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001755142310 1440761420 /nfs/dbraw/zinc/76/14/20/1440761420.db2.gz QJZLBVJCZRECQK-WMZOPIPTSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]2C)c(C)c1 ZINC001755165079 1440766632 /nfs/dbraw/zinc/76/66/32/1440766632.db2.gz DXRJLPZTCLZSAX-ICSRJNTNSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C)c(C)c1 ZINC001755165079 1440766633 /nfs/dbraw/zinc/76/66/33/1440766633.db2.gz DXRJLPZTCLZSAX-ICSRJNTNSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C)c(C)c1 ZINC001755165079 1440766634 /nfs/dbraw/zinc/76/66/34/1440766634.db2.gz DXRJLPZTCLZSAX-ICSRJNTNSA-N 2 1 345.531 3.113 20 0 EGADMP CC[N@H+](CC1=CCCCC1)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001755184036 1440772223 /nfs/dbraw/zinc/77/22/23/1440772223.db2.gz LXXTYTXJTCMWII-UHFFFAOYSA-N 2 1 349.563 3.389 20 0 EGADMP C[N@@H+](CCC(C)(C)C)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001755195170 1440776493 /nfs/dbraw/zinc/77/64/93/1440776493.db2.gz KQTSJVYHTBVTKK-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCC(C)(C)C)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001755195170 1440776494 /nfs/dbraw/zinc/77/64/94/1440776494.db2.gz KQTSJVYHTBVTKK-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCC(C)(C)C)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001755195170 1440776495 /nfs/dbraw/zinc/77/64/95/1440776495.db2.gz KQTSJVYHTBVTKK-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP Cc1ccc(C)c(C[NH+](C)C[C@@H]2CCCN2C(=O)C[N@H+](C)C(C)C)c1 ZINC001755202512 1440780808 /nfs/dbraw/zinc/78/08/08/1440780808.db2.gz HCARKCYORXZQKI-FQEVSTJZSA-N 2 1 345.531 3.066 20 0 EGADMP Cc1ccc(C)c(C[N@@H+](C)C[C@@H]2CCCN2C(=O)C[NH+](C)C(C)C)c1 ZINC001755202512 1440780809 /nfs/dbraw/zinc/78/08/09/1440780809.db2.gz HCARKCYORXZQKI-FQEVSTJZSA-N 2 1 345.531 3.066 20 0 EGADMP Cc1ccc(C)c(C[N@H+](C)C[C@@H]2CCCN2C(=O)C[NH+](C)C(C)C)c1 ZINC001755202512 1440780810 /nfs/dbraw/zinc/78/08/10/1440780810.db2.gz HCARKCYORXZQKI-FQEVSTJZSA-N 2 1 345.531 3.066 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC001755264276 1440795501 /nfs/dbraw/zinc/79/55/01/1440795501.db2.gz TWCWYIDWOXANBV-CABCVRRESA-N 2 1 347.528 3.226 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)C1CCC([NH2+]CCC(C)C)CC1 ZINC001755275974 1440798999 /nfs/dbraw/zinc/79/89/99/1440798999.db2.gz NMVZJFBNPZPDNM-UHFFFAOYSA-N 2 1 348.535 3.377 20 0 EGADMP CC[C@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001755277310 1440799580 /nfs/dbraw/zinc/79/95/80/1440799580.db2.gz HWBIIKSOSWXMCU-OALUTQOASA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)C[NH2+]C1CCC(N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001755278696 1440799908 /nfs/dbraw/zinc/79/99/08/1440799908.db2.gz NGVHCPUMAOEPIM-MHJFOBGBSA-N 2 1 345.531 3.305 20 0 EGADMP CC(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001755282345 1440800873 /nfs/dbraw/zinc/80/08/73/1440800873.db2.gz OHZCODCEWDOMLI-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1c(C(=O)NC[C@H](C)[N@@H+](C)CC2CC(C)(C)C2)ccc2c[nH+]cn21 ZINC001755305987 1440810927 /nfs/dbraw/zinc/81/09/27/1440810927.db2.gz ANNGELCQPBLCNQ-AWEZNQCLSA-N 2 1 342.487 3.129 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001755326099 1440821852 /nfs/dbraw/zinc/82/18/52/1440821852.db2.gz JCQMPWBLUHJZTG-KBPBESRZSA-N 2 1 348.878 3.043 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001755326099 1440821853 /nfs/dbraw/zinc/82/18/53/1440821853.db2.gz JCQMPWBLUHJZTG-KBPBESRZSA-N 2 1 348.878 3.043 20 0 EGADMP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@@H+](C)CC1=CCCCC1 ZINC001755329104 1440823773 /nfs/dbraw/zinc/82/37/73/1440823773.db2.gz WMKHNJVMSZAIJV-QGZVFWFLSA-N 2 1 343.515 3.299 20 0 EGADMP CCCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001755363372 1440832940 /nfs/dbraw/zinc/83/29/40/1440832940.db2.gz IILVHVPECRVHNR-RBUKOAKNSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001755363372 1440832941 /nfs/dbraw/zinc/83/29/41/1440832941.db2.gz IILVHVPECRVHNR-RBUKOAKNSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001755363372 1440832942 /nfs/dbraw/zinc/83/29/42/1440832942.db2.gz IILVHVPECRVHNR-RBUKOAKNSA-N 2 1 337.552 3.412 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1CCCCC[NH+]1CC)c1ccccc1 ZINC001755367249 1440835258 /nfs/dbraw/zinc/83/52/58/1440835258.db2.gz DLBLLBDPZRRAAS-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H]1CCCCC[NH+]1CC)c1ccccc1 ZINC001755367249 1440835259 /nfs/dbraw/zinc/83/52/59/1440835259.db2.gz DLBLLBDPZRRAAS-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC)c1ccccc1 ZINC001755367249 1440835260 /nfs/dbraw/zinc/83/52/60/1440835260.db2.gz DLBLLBDPZRRAAS-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CC)c1ccccc1 ZINC001755367249 1440835261 /nfs/dbraw/zinc/83/52/61/1440835261.db2.gz DLBLLBDPZRRAAS-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001755412903 1440847156 /nfs/dbraw/zinc/84/71/56/1440847156.db2.gz SFZZBEICPKMJQS-QGZVFWFLSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C(C)(C)C1 ZINC001755412903 1440847157 /nfs/dbraw/zinc/84/71/57/1440847157.db2.gz SFZZBEICPKMJQS-QGZVFWFLSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C(C)(C)C1 ZINC001755412903 1440847158 /nfs/dbraw/zinc/84/71/58/1440847158.db2.gz SFZZBEICPKMJQS-QGZVFWFLSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC001755452514 1440854119 /nfs/dbraw/zinc/85/41/19/1440854119.db2.gz JRTQMIWYELMUEW-GBESFXJTSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCC(C)(C)C)C2)C1 ZINC001755476953 1440859504 /nfs/dbraw/zinc/85/95/04/1440859504.db2.gz COTLOELTCLOIQX-KZNAEPCWSA-N 2 1 337.552 3.029 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001755661322 1440892713 /nfs/dbraw/zinc/89/27/13/1440892713.db2.gz KLVOUHAUNBJIMG-DLBZAZTESA-N 2 1 334.508 3.166 20 0 EGADMP CCCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC001755703359 1440901295 /nfs/dbraw/zinc/90/12/95/1440901295.db2.gz XMPQIELBBNJNJK-FTEYMNFISA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC001755703359 1440901296 /nfs/dbraw/zinc/90/12/96/1440901296.db2.gz XMPQIELBBNJNJK-FTEYMNFISA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC001755703359 1440901297 /nfs/dbraw/zinc/90/12/97/1440901297.db2.gz XMPQIELBBNJNJK-FTEYMNFISA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC3CCCC3)[C@H]2C1 ZINC001755712520 1440903948 /nfs/dbraw/zinc/90/39/48/1440903948.db2.gz MSVBOWSPKFDTKC-UFYCRDLUSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1CC1CCCCC1 ZINC001755716494 1440905311 /nfs/dbraw/zinc/90/53/11/1440905311.db2.gz AGRIRZOEVHTSOV-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC001755717835 1440905745 /nfs/dbraw/zinc/90/57/45/1440905745.db2.gz JPIZYCPILHQGDS-OALUTQOASA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)[C@H]1C ZINC001755722258 1440907862 /nfs/dbraw/zinc/90/78/62/1440907862.db2.gz HEUMSDAVQLYRJT-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)[C@H]1C ZINC001755722258 1440907863 /nfs/dbraw/zinc/90/78/63/1440907863.db2.gz HEUMSDAVQLYRJT-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)[C@H]1C ZINC001755722258 1440907864 /nfs/dbraw/zinc/90/78/64/1440907864.db2.gz HEUMSDAVQLYRJT-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CCCC3CCCC3)C(C)(C)C2)CC[N@H+]1C ZINC001755758584 1440914536 /nfs/dbraw/zinc/91/45/36/1440914536.db2.gz AUEUDPJBGMBASU-QRQLOZEOSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(CC[N@H+](C)[C@H](C)c1ccccc1)C(C)C ZINC001755812414 1440921105 /nfs/dbraw/zinc/92/11/05/1440921105.db2.gz PIQXPKAZGFHCPN-GOSISDBHSA-N 2 1 342.487 3.122 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(CC[N@@H+](C)[C@H](C)c1ccccc1)C(C)C ZINC001755812414 1440921106 /nfs/dbraw/zinc/92/11/06/1440921106.db2.gz PIQXPKAZGFHCPN-GOSISDBHSA-N 2 1 342.487 3.122 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C(C)(C)C ZINC001755827666 1440927756 /nfs/dbraw/zinc/92/77/56/1440927756.db2.gz QNQFZRAKOCIIDS-ZWKOTPCHSA-N 2 1 337.552 3.027 20 0 EGADMP CC(C)=CC[NH+]1CCC([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001755850507 1440934689 /nfs/dbraw/zinc/93/46/89/1440934689.db2.gz KEEZZHOWDUYKRL-KRWDZBQOSA-N 2 1 346.519 3.189 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(C[NH3+])CC2)nc1 ZINC001164389801 718813271 /nfs/dbraw/zinc/81/32/71/718813271.db2.gz ZFDFGHVALNKDIK-KRWDZBQOSA-N 2 1 334.483 3.286 20 0 EGADMP Cc1c[nH+]c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c(C)c1 ZINC001164859878 720960732 /nfs/dbraw/zinc/96/07/32/720960732.db2.gz OCNLIZKDTWGJFR-INIZCTEOSA-N 2 1 327.476 3.316 20 0 EGADMP Cc1c[nH+]c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c(C)c1 ZINC001164859878 720960741 /nfs/dbraw/zinc/96/07/41/720960741.db2.gz OCNLIZKDTWGJFR-INIZCTEOSA-N 2 1 327.476 3.316 20 0 EGADMP Cn1cncc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000368091047 168309664 /nfs/dbraw/zinc/30/96/64/168309664.db2.gz VFAKGGAHOIEINJ-SESVDKBCSA-N 2 1 338.499 3.201 20 0 EGADMP CC[NH2+]CC1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000053659164 214192662 /nfs/dbraw/zinc/19/26/62/214192662.db2.gz SMDHYVZJSGKVDC-UHFFFAOYSA-N 2 1 329.257 3.410 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346851410 282240668 /nfs/dbraw/zinc/24/06/68/282240668.db2.gz JQMIWLBIIBLKRO-ZOCIIQOWSA-N 2 1 344.890 3.393 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000185125102 282308091 /nfs/dbraw/zinc/30/80/91/282308091.db2.gz FIKRTFNGDGAPQO-GOSISDBHSA-N 2 1 328.460 3.057 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](CCCc3nc(-c4ccccc4)no3)CC[C@@H]21 ZINC000158853795 530064521 /nfs/dbraw/zinc/06/45/21/530064521.db2.gz OKIJDDKJXPFNTK-ROUUACIJSA-N 2 1 340.471 3.085 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](CCCc3nc(-c4ccccc4)no3)CC[C@@H]21 ZINC000158853795 530064522 /nfs/dbraw/zinc/06/45/22/530064522.db2.gz OKIJDDKJXPFNTK-ROUUACIJSA-N 2 1 340.471 3.085 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCc3nc(-c4ccccc4)no3)CC[C@@H]21 ZINC000158853795 530064523 /nfs/dbraw/zinc/06/45/23/530064523.db2.gz OKIJDDKJXPFNTK-ROUUACIJSA-N 2 1 340.471 3.085 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccc(F)c1 ZINC000126732212 222742463 /nfs/dbraw/zinc/74/24/63/222742463.db2.gz OYCZGCUNXRMUHZ-QGZVFWFLSA-N 2 1 341.474 3.424 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000178700561 232390096 /nfs/dbraw/zinc/39/00/96/232390096.db2.gz WSNYATOONCIXMU-HUUCEWRRSA-N 2 1 329.444 3.340 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000081362803 283060122 /nfs/dbraw/zinc/06/01/22/283060122.db2.gz JVJMGJFZOORKTL-AZUAARDMSA-N 2 1 345.531 3.260 20 0 EGADMP Fc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1Br ZINC000035054360 213006979 /nfs/dbraw/zinc/00/69/79/213006979.db2.gz QSGCVZVLKWAFIT-UHFFFAOYSA-N 2 1 327.241 3.305 20 0 EGADMP CCC[C@](C)([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000262680023 245116559 /nfs/dbraw/zinc/11/65/59/245116559.db2.gz WHIHPTXPCJCGKT-QRFRQXIXSA-N 2 1 331.504 3.015 20 0 EGADMP CC[NH+](CC)CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000264928030 247052832 /nfs/dbraw/zinc/05/28/32/247052832.db2.gz ROHGIXSEGIIAKX-HXUWFJFHSA-N 2 1 345.531 3.137 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000377542546 169039233 /nfs/dbraw/zinc/03/92/33/169039233.db2.gz IZEKPIRVCHQULC-FQEVSTJZSA-N 2 1 345.462 3.038 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000377542546 169039234 /nfs/dbraw/zinc/03/92/34/169039234.db2.gz IZEKPIRVCHQULC-FQEVSTJZSA-N 2 1 345.462 3.038 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000377725808 169068252 /nfs/dbraw/zinc/06/82/52/169068252.db2.gz RFFSEFRSMWQFMA-FQEVSTJZSA-N 2 1 325.456 3.441 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000377725808 169068255 /nfs/dbraw/zinc/06/82/55/169068255.db2.gz RFFSEFRSMWQFMA-FQEVSTJZSA-N 2 1 325.456 3.441 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)s1 ZINC000092746096 218163613 /nfs/dbraw/zinc/16/36/13/218163613.db2.gz GUPPGCVYIRLTQP-QWHCGFSZSA-N 2 1 336.505 3.132 20 0 EGADMP CCCc1noc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092821528 218171411 /nfs/dbraw/zinc/17/14/11/218171411.db2.gz JQZNDCWBJXNXGJ-UHFFFAOYSA-N 2 1 343.475 3.156 20 0 EGADMP CCCc1noc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092821528 218171414 /nfs/dbraw/zinc/17/14/14/218171414.db2.gz JQZNDCWBJXNXGJ-UHFFFAOYSA-N 2 1 343.475 3.156 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000093604571 218234853 /nfs/dbraw/zinc/23/48/53/218234853.db2.gz FQJDWARRMLPDCF-INIZCTEOSA-N 2 1 340.471 3.003 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000093604571 218234855 /nfs/dbraw/zinc/23/48/55/218234855.db2.gz FQJDWARRMLPDCF-INIZCTEOSA-N 2 1 340.471 3.003 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000263305514 296312672 /nfs/dbraw/zinc/31/26/72/296312672.db2.gz XTLULEFFQRVJNA-AJYBTWMASA-N 2 1 335.536 3.007 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000268797661 252249656 /nfs/dbraw/zinc/24/96/56/252249656.db2.gz GRZYNSDSIDQRKY-CVEARBPZSA-N 2 1 344.503 3.351 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000268817113 252269174 /nfs/dbraw/zinc/26/91/74/252269174.db2.gz GMFSBFRJSQITBU-LSDHHAIUSA-N 2 1 347.528 3.225 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000268817111 252269473 /nfs/dbraw/zinc/26/94/73/252269473.db2.gz GMFSBFRJSQITBU-HUUCEWRRSA-N 2 1 347.528 3.225 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(SC(F)F)cc1 ZINC000268830469 252280097 /nfs/dbraw/zinc/28/00/97/252280097.db2.gz KKEAWFLDRFHTTO-ZDUSSCGKSA-N 2 1 344.471 3.499 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000268833793 252283349 /nfs/dbraw/zinc/28/33/49/252283349.db2.gz ARHYHVDERYEFPE-RTWAWAEBSA-N 2 1 329.532 3.330 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000268838718 252287831 /nfs/dbraw/zinc/28/78/31/252287831.db2.gz BVWFPIMIFINUIA-BVYCBKJFSA-N 2 1 338.495 3.233 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000268838718 252287835 /nfs/dbraw/zinc/28/78/35/252287835.db2.gz BVWFPIMIFINUIA-BVYCBKJFSA-N 2 1 338.495 3.233 20 0 EGADMP Cc1noc(C)c1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268863542 252311697 /nfs/dbraw/zinc/31/16/97/252311697.db2.gz FEDSUHYHKKFPFR-BEFAXECRSA-N 2 1 327.472 3.477 20 0 EGADMP Cc1noc(C)c1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268863542 252311699 /nfs/dbraw/zinc/31/16/99/252311699.db2.gz FEDSUHYHKKFPFR-BEFAXECRSA-N 2 1 327.472 3.477 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCC[C@H](C)C2)cc1)C(C)C ZINC000110174247 285098585 /nfs/dbraw/zinc/09/85/85/285098585.db2.gz JMUIHTSHYOSONL-SFHVURJKSA-N 2 1 345.531 3.379 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1)C(C)C ZINC000110174247 285098586 /nfs/dbraw/zinc/09/85/86/285098586.db2.gz JMUIHTSHYOSONL-SFHVURJKSA-N 2 1 345.531 3.379 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1)C(C)C ZINC000110174247 285098587 /nfs/dbraw/zinc/09/85/87/285098587.db2.gz JMUIHTSHYOSONL-SFHVURJKSA-N 2 1 345.531 3.379 20 0 EGADMP OCCC1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000367614935 285251560 /nfs/dbraw/zinc/25/15/60/285251560.db2.gz JGRZOYBSPISWIS-NJDAHSKKSA-N 2 1 342.527 3.429 20 0 EGADMP C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118843481 221193973 /nfs/dbraw/zinc/19/39/73/221193973.db2.gz AXZVJQPAUFMSAA-IBGZPJMESA-N 2 1 339.483 3.434 20 0 EGADMP C[NH+](Cc1ccc(OCc2ccccn2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118843481 221193977 /nfs/dbraw/zinc/19/39/77/221193977.db2.gz AXZVJQPAUFMSAA-IBGZPJMESA-N 2 1 339.483 3.434 20 0 EGADMP C[NH+](Cc1ccc(OCc2ccccn2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843481 221193981 /nfs/dbraw/zinc/19/39/81/221193981.db2.gz AXZVJQPAUFMSAA-IBGZPJMESA-N 2 1 339.483 3.434 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000119691211 221379060 /nfs/dbraw/zinc/37/90/60/221379060.db2.gz XYXCGXZJFPDDFE-OAHLLOKOSA-N 2 1 327.472 3.091 20 0 EGADMP C[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000165289275 533427391 /nfs/dbraw/zinc/42/73/91/533427391.db2.gz ODBOKYDTFDHAFO-ZWKOTPCHSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246944893 141045183 /nfs/dbraw/zinc/04/51/83/141045183.db2.gz UHVXJIRUWDRIER-LYYGHALDSA-N 2 1 347.547 3.113 20 0 EGADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246944893 141045184 /nfs/dbraw/zinc/04/51/84/141045184.db2.gz UHVXJIRUWDRIER-LYYGHALDSA-N 2 1 347.547 3.113 20 0 EGADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246944893 141045185 /nfs/dbraw/zinc/04/51/85/141045185.db2.gz UHVXJIRUWDRIER-LYYGHALDSA-N 2 1 347.547 3.113 20 0 EGADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246944893 141045186 /nfs/dbraw/zinc/04/51/86/141045186.db2.gz UHVXJIRUWDRIER-LYYGHALDSA-N 2 1 347.547 3.113 20 0 EGADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cnn(C)c1 ZINC000247003500 141048290 /nfs/dbraw/zinc/04/82/90/141048290.db2.gz JYXDSGAXWAPGDL-YZLZLFLDSA-N 2 1 326.488 3.227 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cc[nH]c(=O)c1 ZINC000339455308 141114998 /nfs/dbraw/zinc/11/49/98/141114998.db2.gz OEWUWXXBYAIGHN-BXWFABGCSA-N 2 1 325.456 3.491 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cc[nH]c(=O)c1 ZINC000339455308 141115001 /nfs/dbraw/zinc/11/50/01/141115001.db2.gz OEWUWXXBYAIGHN-BXWFABGCSA-N 2 1 325.456 3.491 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000339520680 141125411 /nfs/dbraw/zinc/12/54/11/141125411.db2.gz AYRBJLCDRAHQRP-UHFFFAOYSA-N 2 1 345.462 3.492 20 0 EGADMP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000353472352 141304498 /nfs/dbraw/zinc/30/44/98/141304498.db2.gz TULZDDJSNZHVQW-NSISKUIASA-N 2 1 343.515 3.491 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000353476982 141305346 /nfs/dbraw/zinc/30/53/46/141305346.db2.gz ZXPDEOYHDUGOJH-AHRSYUTCSA-N 2 1 343.515 3.065 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)C2CC2)cc1)C(C)C ZINC000356273136 141333675 /nfs/dbraw/zinc/33/36/75/141333675.db2.gz DVZSPFNDFIXVDD-UHFFFAOYSA-N 2 1 331.504 3.083 20 0 EGADMP C[C@@H](CN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C[NH+]1CCCC1 ZINC000677806383 549335028 /nfs/dbraw/zinc/33/50/28/549335028.db2.gz ZBGVMYZFMGSLFM-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H](C[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1)C[NH+]1CCCC1 ZINC000677806383 549335032 /nfs/dbraw/zinc/33/50/32/549335032.db2.gz ZBGVMYZFMGSLFM-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183952468 144082474 /nfs/dbraw/zinc/08/24/74/144082474.db2.gz JSQOXDVONCHXCL-MRXNPFEDSA-N 2 1 348.487 3.011 20 0 EGADMP C[C@H]1C[C@@H](NCc2ccccc2OCc2cccnc2)CC[N@H+]1C ZINC000344624502 144201355 /nfs/dbraw/zinc/20/13/55/144201355.db2.gz IXUGBKKYTPRGDI-LPHOPBHVSA-N 2 1 325.456 3.233 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2cccnc2)CCN1C ZINC000344624502 144201356 /nfs/dbraw/zinc/20/13/56/144201356.db2.gz IXUGBKKYTPRGDI-LPHOPBHVSA-N 2 1 325.456 3.233 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@H]12 ZINC000351491366 144268692 /nfs/dbraw/zinc/26/86/92/144268692.db2.gz JUDDFRDARMZTHM-GSEOLPGOSA-N 2 1 335.451 3.036 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@H]12 ZINC000351491366 144268693 /nfs/dbraw/zinc/26/86/93/144268693.db2.gz JUDDFRDARMZTHM-GSEOLPGOSA-N 2 1 335.451 3.036 20 0 EGADMP CCc1nc(CN2CCC(CCC[N@@H+](C)CCOC)CC2)cs1 ZINC000122138299 152392438 /nfs/dbraw/zinc/39/24/38/152392438.db2.gz DNZWUJSDMQDZAR-UHFFFAOYSA-N 2 1 339.549 3.276 20 0 EGADMP CCc1nc(C[NH+]2CCC(CCC[N@H+](C)CCOC)CC2)cs1 ZINC000122138299 152392443 /nfs/dbraw/zinc/39/24/43/152392443.db2.gz DNZWUJSDMQDZAR-UHFFFAOYSA-N 2 1 339.549 3.276 20 0 EGADMP CCc1nc(C[NH+]2CCC(CCC[N@@H+](C)CCOC)CC2)cs1 ZINC000122138299 152392446 /nfs/dbraw/zinc/39/24/46/152392446.db2.gz DNZWUJSDMQDZAR-UHFFFAOYSA-N 2 1 339.549 3.276 20 0 EGADMP CCOc1cc(C[NH2+]CC2([NH3+])CCCCC2)ccc1OC(F)F ZINC000414850466 309105407 /nfs/dbraw/zinc/10/54/07/309105407.db2.gz ZCPHDMJRFWBPBO-UHFFFAOYSA-N 2 1 328.403 3.438 20 0 EGADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192925061 153267681 /nfs/dbraw/zinc/26/76/81/153267681.db2.gz GJNVHXVJVDYCIV-IBGZPJMESA-N 2 1 338.451 3.085 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCCC34CCOCC4)sc2C1 ZINC000337284879 154259229 /nfs/dbraw/zinc/25/92/29/154259229.db2.gz JSSLRLKHAIMFGL-QGZVFWFLSA-N 2 1 349.544 3.349 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCCC34CCOCC4)sc2C1 ZINC000337284879 154259231 /nfs/dbraw/zinc/25/92/31/154259231.db2.gz JSSLRLKHAIMFGL-QGZVFWFLSA-N 2 1 349.544 3.349 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000337472170 154369737 /nfs/dbraw/zinc/36/97/37/154369737.db2.gz WNACGBMVIWCIFG-QGZVFWFLSA-N 2 1 342.487 3.123 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000337472170 154369741 /nfs/dbraw/zinc/36/97/41/154369741.db2.gz WNACGBMVIWCIFG-QGZVFWFLSA-N 2 1 342.487 3.123 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C[C@H]12 ZINC000346828919 156154709 /nfs/dbraw/zinc/15/47/09/156154709.db2.gz NQUGMRQRMIUMHF-YTQUADARSA-N 2 1 332.451 3.195 20 0 EGADMP CCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346864688 156169677 /nfs/dbraw/zinc/16/96/77/156169677.db2.gz YXMZATCYESOCJR-SQWLQELKSA-N 2 1 338.879 3.307 20 0 EGADMP CCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346864688 156169680 /nfs/dbraw/zinc/16/96/80/156169680.db2.gz YXMZATCYESOCJR-SQWLQELKSA-N 2 1 338.879 3.307 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000347007569 156244415 /nfs/dbraw/zinc/24/44/15/156244415.db2.gz QTZBQDBFWWRFPP-YPMHNXCESA-N 2 1 334.357 3.326 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000347007569 156244416 /nfs/dbraw/zinc/24/44/16/156244416.db2.gz QTZBQDBFWWRFPP-YPMHNXCESA-N 2 1 334.357 3.326 20 0 EGADMP CCOc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000349126091 156361155 /nfs/dbraw/zinc/36/11/55/156361155.db2.gz FUOZLWMCUPKIRZ-SFHVURJKSA-N 2 1 332.488 3.258 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)n2)cc1O ZINC000362084082 157014065 /nfs/dbraw/zinc/01/40/65/157014065.db2.gz AGFLEIRZQCGNOG-MRXNPFEDSA-N 2 1 327.428 3.181 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000125172427 162265874 /nfs/dbraw/zinc/26/58/74/162265874.db2.gz CBJHGNGWKDQXFN-ZWKOTPCHSA-N 2 1 345.531 3.449 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000125529043 162275186 /nfs/dbraw/zinc/27/51/86/162275186.db2.gz HPSHPEBCRNMBCB-YPAWHYETSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000125529043 162275189 /nfs/dbraw/zinc/27/51/89/162275189.db2.gz HPSHPEBCRNMBCB-YPAWHYETSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000125529043 162275191 /nfs/dbraw/zinc/27/51/91/162275191.db2.gz HPSHPEBCRNMBCB-YPAWHYETSA-N 2 1 341.543 3.457 20 0 EGADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000125520438 162275555 /nfs/dbraw/zinc/27/55/55/162275555.db2.gz YLZGVJBVCYNIJX-LJQANCHMSA-N 2 1 340.471 3.099 20 0 EGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000125520438 162275557 /nfs/dbraw/zinc/27/55/57/162275557.db2.gz YLZGVJBVCYNIJX-LJQANCHMSA-N 2 1 340.471 3.099 20 0 EGADMP COC[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000131140329 162391691 /nfs/dbraw/zinc/39/16/91/162391691.db2.gz IHMQGAJMJUYQIK-KCXAZCMYSA-N 2 1 330.394 3.465 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248404765 163001876 /nfs/dbraw/zinc/00/18/76/163001876.db2.gz QRMJVIVPLJKPLN-ADHGMGHFSA-N 2 1 335.536 3.017 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248404765 163001877 /nfs/dbraw/zinc/00/18/77/163001877.db2.gz QRMJVIVPLJKPLN-ADHGMGHFSA-N 2 1 335.536 3.017 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248404765 163001879 /nfs/dbraw/zinc/00/18/79/163001879.db2.gz QRMJVIVPLJKPLN-ADHGMGHFSA-N 2 1 335.536 3.017 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@H]1n1ccnc1 ZINC000248555513 163013303 /nfs/dbraw/zinc/01/33/03/163013303.db2.gz KOMRUEKRMYBQJX-SJLPKXTDSA-N 2 1 346.519 3.051 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)CC[N@@H+]1C ZINC000248563855 163014865 /nfs/dbraw/zinc/01/48/65/163014865.db2.gz OAEIKHZEGRWVLT-KFWWJZLASA-N 2 1 341.421 3.356 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)CC[N@H+]1C ZINC000248563855 163014867 /nfs/dbraw/zinc/01/48/67/163014867.db2.gz OAEIKHZEGRWVLT-KFWWJZLASA-N 2 1 341.421 3.356 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C[C@@H](c2ccccc2)C1 ZINC000305162868 163075588 /nfs/dbraw/zinc/07/55/88/163075588.db2.gz XNRDYLVJNNWDRX-IHPCNDPISA-N 2 1 330.516 3.395 20 0 EGADMP COc1ccc(OCCC[N@@H+]2C[C@@H](c3ccccc3)[C@@H](C[NH3+])C2)cc1 ZINC000337074974 163122429 /nfs/dbraw/zinc/12/24/29/163122429.db2.gz PSQBGSXEXNVUGJ-RXVVDRJESA-N 2 1 340.467 3.138 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCN[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338327934 163211165 /nfs/dbraw/zinc/21/11/65/163211165.db2.gz PJEOKHDDNKWWDR-UXHICEINSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338327934 163211166 /nfs/dbraw/zinc/21/11/66/163211166.db2.gz PJEOKHDDNKWWDR-UXHICEINSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338327934 163211168 /nfs/dbraw/zinc/21/11/68/163211168.db2.gz PJEOKHDDNKWWDR-UXHICEINSA-N 3 1 329.532 3.361 20 0 EGADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000338327934 163211170 /nfs/dbraw/zinc/21/11/70/163211170.db2.gz PJEOKHDDNKWWDR-UXHICEINSA-N 3 1 329.532 3.361 20 0 EGADMP COCc1cccc(OCC2(C[N@@H+](C)[C@H]3CCN(C)[C@@H](C)C3)CC2)c1 ZINC000354795510 166034129 /nfs/dbraw/zinc/03/41/29/166034129.db2.gz WXCGHUKMCVZPOX-HKUYNNGSSA-N 2 1 346.515 3.407 20 0 EGADMP COCc1cccc(OCC2(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)c1 ZINC000354795510 166034131 /nfs/dbraw/zinc/03/41/31/166034131.db2.gz WXCGHUKMCVZPOX-HKUYNNGSSA-N 2 1 346.515 3.407 20 0 EGADMP COCc1cccc(OCC2(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)c1 ZINC000354795510 166034132 /nfs/dbraw/zinc/03/41/32/166034132.db2.gz WXCGHUKMCVZPOX-HKUYNNGSSA-N 2 1 346.515 3.407 20 0 EGADMP COCc1cccc(OCC2(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000354795510 166034133 /nfs/dbraw/zinc/03/41/33/166034133.db2.gz WXCGHUKMCVZPOX-HKUYNNGSSA-N 2 1 346.515 3.407 20 0 EGADMP COCc1cccc(OCC2(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c1 ZINC000354795510 166034135 /nfs/dbraw/zinc/03/41/35/166034135.db2.gz WXCGHUKMCVZPOX-HKUYNNGSSA-N 2 1 346.515 3.407 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC000343761883 164029374 /nfs/dbraw/zinc/02/93/74/164029374.db2.gz ILZUGPYBWZIAOK-YLJYHZDGSA-N 2 1 327.516 3.428 20 0 EGADMP CC(C)[C@H](O)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000344274412 164143111 /nfs/dbraw/zinc/14/31/11/164143111.db2.gz BJFLLTJFBVWXKV-IHPCNDPISA-N 2 1 330.516 3.426 20 0 EGADMP CC(C)[C@H](O)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000344274412 164143113 /nfs/dbraw/zinc/14/31/13/164143113.db2.gz BJFLLTJFBVWXKV-IHPCNDPISA-N 2 1 330.516 3.426 20 0 EGADMP O=C(Nc1cccc(-n2ccnc2)c1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000345685402 164242433 /nfs/dbraw/zinc/24/24/33/164242433.db2.gz QZOWWHMBDMBENU-HXUWFJFHSA-N 2 1 346.434 3.475 20 0 EGADMP O=C(Nc1cccc(-n2ccnc2)c1)[C@H]1CCCN1Cc1ccccc1 ZINC000345685402 164242434 /nfs/dbraw/zinc/24/24/34/164242434.db2.gz QZOWWHMBDMBENU-HXUWFJFHSA-N 2 1 346.434 3.475 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000350259428 165022426 /nfs/dbraw/zinc/02/24/26/165022426.db2.gz VOIUVLOIMRHHDD-GOEBONIOSA-N 2 1 326.431 3.459 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000350259428 165022428 /nfs/dbraw/zinc/02/24/28/165022428.db2.gz VOIUVLOIMRHHDD-GOEBONIOSA-N 2 1 326.431 3.459 20 0 EGADMP CCOc1ccc(C[NH+]2CCN(CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000351637580 165108751 /nfs/dbraw/zinc/10/87/51/165108751.db2.gz ALTVMCJGYDSHPW-FQEVSTJZSA-N 2 1 345.531 3.077 20 0 EGADMP CCOc1ccc(C[NH+]2CCN(CC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000351637580 165108755 /nfs/dbraw/zinc/10/87/55/165108755.db2.gz ALTVMCJGYDSHPW-FQEVSTJZSA-N 2 1 345.531 3.077 20 0 EGADMP CC(C)Oc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000355203929 166132413 /nfs/dbraw/zinc/13/24/13/166132413.db2.gz GDDLRSYIZHLAHW-DFQSSKMNSA-N 2 1 332.488 3.157 20 0 EGADMP CC(C)Oc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000355203929 166132414 /nfs/dbraw/zinc/13/24/14/166132414.db2.gz GDDLRSYIZHLAHW-DFQSSKMNSA-N 2 1 332.488 3.157 20 0 EGADMP CC[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000355356906 166173094 /nfs/dbraw/zinc/17/30/94/166173094.db2.gz NBMXVCGYXPGKCH-SOAGJPPSSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000355410786 166189100 /nfs/dbraw/zinc/18/91/00/166189100.db2.gz LCZUIPFULLGWLW-HZPDHXFCSA-N 2 1 347.528 3.047 20 0 EGADMP Cc1cc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cn2ccnc12 ZINC000355428970 166196381 /nfs/dbraw/zinc/19/63/81/166196381.db2.gz ZILWAHYGAYVTKY-OAHLLOKOSA-N 2 1 326.444 3.236 20 0 EGADMP Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cn2cc[nH+]c12 ZINC000355428970 166196382 /nfs/dbraw/zinc/19/63/82/166196382.db2.gz ZILWAHYGAYVTKY-OAHLLOKOSA-N 2 1 326.444 3.236 20 0 EGADMP Cc1cc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cn2cc[nH+]c12 ZINC000355428970 166196384 /nfs/dbraw/zinc/19/63/84/166196384.db2.gz ZILWAHYGAYVTKY-OAHLLOKOSA-N 2 1 326.444 3.236 20 0 EGADMP C[C@H](NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000359279671 167114137 /nfs/dbraw/zinc/11/41/37/167114137.db2.gz PFFGYBUSXXJPGW-XJKSGUPXSA-N 2 1 339.911 3.035 20 0 EGADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359315182 167123063 /nfs/dbraw/zinc/12/30/63/167123063.db2.gz VUYDUGKJAPGKMR-ZYSHUDEJSA-N 2 1 335.451 3.151 20 0 EGADMP CC(C)[NH+]1CCC(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000360701464 167390987 /nfs/dbraw/zinc/39/09/87/167390987.db2.gz XDBAIFURTMIJHW-AZUAARDMSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000360701464 167390990 /nfs/dbraw/zinc/39/09/90/167390990.db2.gz XDBAIFURTMIJHW-AZUAARDMSA-N 3 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000360701464 167390993 /nfs/dbraw/zinc/39/09/93/167390993.db2.gz XDBAIFURTMIJHW-AZUAARDMSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000360714987 167395125 /nfs/dbraw/zinc/39/51/25/167395125.db2.gz RTNLWKXHTJYIOL-BZUAXINKSA-N 2 1 336.549 3.068 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H](C)C2)CC1 ZINC000360720240 167397610 /nfs/dbraw/zinc/39/76/10/167397610.db2.gz XZXIECSSQIHKPD-RXVVDRJESA-N 2 1 329.532 3.492 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCSCc1ccccc1 ZINC000366833341 168146920 /nfs/dbraw/zinc/14/69/20/168146920.db2.gz KMCHPGXNCATZBL-QRVBRYPASA-N 2 1 334.529 3.103 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)s2)cn1 ZINC000367343931 168211161 /nfs/dbraw/zinc/21/11/61/168211161.db2.gz QURZMKPGCAVUIS-UHFFFAOYSA-N 2 1 344.528 3.456 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000263305517 287272424 /nfs/dbraw/zinc/27/24/24/287272424.db2.gz XTLULEFFQRVJNA-RMJJICAUSA-N 2 1 335.536 3.007 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn3cccnc3n2)CC1 ZINC000158939127 225111801 /nfs/dbraw/zinc/11/18/01/225111801.db2.gz SWGSQYOGSGVUMB-KRWDZBQOSA-N 2 1 341.503 3.206 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn3cccnc3n2)CC1 ZINC000158939127 225111804 /nfs/dbraw/zinc/11/18/04/225111804.db2.gz SWGSQYOGSGVUMB-KRWDZBQOSA-N 2 1 341.503 3.206 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000164585981 226083746 /nfs/dbraw/zinc/08/37/46/226083746.db2.gz YQNOZQDEJLZMMJ-ZDUSSCGKSA-N 2 1 349.866 3.027 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CC[N@@H+]1C ZINC000166154851 226149894 /nfs/dbraw/zinc/14/98/94/226149894.db2.gz WKLDNKMAEKGVAZ-YOEHRIQHSA-N 2 1 337.458 3.002 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CC[N@H+]1C ZINC000166154851 226149897 /nfs/dbraw/zinc/14/98/97/226149897.db2.gz WKLDNKMAEKGVAZ-YOEHRIQHSA-N 2 1 337.458 3.002 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123036367 222205602 /nfs/dbraw/zinc/20/56/02/222205602.db2.gz MMJFZGPMFUAMDO-HNNXBMFYSA-N 2 1 327.472 3.108 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000123908538 222350355 /nfs/dbraw/zinc/35/03/55/222350355.db2.gz HCNJCKCISDLAHW-UHFFFAOYSA-N 2 1 343.437 3.255 20 0 EGADMP CC(C)Sc1ccc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000178672275 265335383 /nfs/dbraw/zinc/33/53/83/265335383.db2.gz FEKRPYKKVQVHKD-INIZCTEOSA-N 2 1 349.544 3.002 20 0 EGADMP c1cc2nsnc2c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000269667272 266337892 /nfs/dbraw/zinc/33/78/92/266337892.db2.gz QLOANOUDYKEHQG-GUYCJALGSA-N 2 1 328.485 3.140 20 0 EGADMP c1cc2nsnc2c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000269667272 266337895 /nfs/dbraw/zinc/33/78/95/266337895.db2.gz QLOANOUDYKEHQG-GUYCJALGSA-N 2 1 328.485 3.140 20 0 EGADMP c1cc2nsnc2c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000269667272 266337897 /nfs/dbraw/zinc/33/78/97/266337897.db2.gz QLOANOUDYKEHQG-GUYCJALGSA-N 2 1 328.485 3.140 20 0 EGADMP c1cc2nsnc2c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000269667272 266337900 /nfs/dbraw/zinc/33/79/00/266337900.db2.gz QLOANOUDYKEHQG-GUYCJALGSA-N 2 1 328.485 3.140 20 0 EGADMP CCN(CC)C(=O)CCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272526274 266863156 /nfs/dbraw/zinc/86/31/56/266863156.db2.gz AKGXMQOMCWLMGZ-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP C[C@H]1C[C@H](CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000273284388 267012821 /nfs/dbraw/zinc/01/28/21/267012821.db2.gz QZMPOWBRXAIHAU-AZUAARDMSA-N 2 1 330.516 3.488 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000273289105 267013986 /nfs/dbraw/zinc/01/39/86/267013986.db2.gz XRPPYTNTKIZZLQ-OAHLLOKOSA-N 2 1 349.544 3.341 20 0 EGADMP C[C@H]([NH2+]Cc1cn(C)nc1C(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274461641 267241013 /nfs/dbraw/zinc/24/10/13/267241013.db2.gz HRMCCLTUATXORC-HOCLYGCPSA-N 2 1 348.441 3.358 20 0 EGADMP C[C@H]([NH2+]Cc1cn(C)nc1C(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274461641 267241014 /nfs/dbraw/zinc/24/10/14/267241014.db2.gz HRMCCLTUATXORC-HOCLYGCPSA-N 2 1 348.441 3.358 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000274559214 267254495 /nfs/dbraw/zinc/25/44/95/267254495.db2.gz YYSUEUVHRAHLQR-OAHLLOKOSA-N 2 1 343.471 3.097 20 0 EGADMP C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274895960 267303129 /nfs/dbraw/zinc/30/31/29/267303129.db2.gz KHJCJVLGWFKDER-NBHGPNQESA-N 2 1 342.458 3.359 20 0 EGADMP C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274895960 267303131 /nfs/dbraw/zinc/30/31/31/267303131.db2.gz KHJCJVLGWFKDER-NBHGPNQESA-N 2 1 342.458 3.359 20 0 EGADMP O[C@@H](C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)C[NH+]1CCCC1 ZINC000305121062 275052445 /nfs/dbraw/zinc/05/24/45/275052445.db2.gz JOLZDCHSBHIBOL-NHYWBVRUSA-N 2 1 329.271 3.027 20 0 EGADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)CC1CCN(c2ccccn2)CC1 ZINC000125304124 275191574 /nfs/dbraw/zinc/19/15/74/275191574.db2.gz MXEGRNUYMXBOJF-LJQANCHMSA-N 2 1 330.520 3.104 20 0 EGADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)CC1CCN(c2ccccn2)CC1 ZINC000125304124 275191575 /nfs/dbraw/zinc/19/15/75/275191575.db2.gz MXEGRNUYMXBOJF-LJQANCHMSA-N 2 1 330.520 3.104 20 0 EGADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)CC1CCN(c2ccccn2)CC1 ZINC000125304124 275191576 /nfs/dbraw/zinc/19/15/76/275191576.db2.gz MXEGRNUYMXBOJF-LJQANCHMSA-N 2 1 330.520 3.104 20 0 EGADMP CCOc1ccc(-c2nc(C[N@@H+](C)CCCn3ccnc3)co2)cc1 ZINC000181116639 275205287 /nfs/dbraw/zinc/20/52/87/275205287.db2.gz IUJZSODSBVUPGT-UHFFFAOYSA-N 2 1 340.427 3.459 20 0 EGADMP CCOc1ccc(-c2nc(CN(C)CCCn3ccnc3)co2)cc1 ZINC000181116639 275205289 /nfs/dbraw/zinc/20/52/89/275205289.db2.gz IUJZSODSBVUPGT-UHFFFAOYSA-N 2 1 340.427 3.459 20 0 EGADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cncc(Br)c1)C(C)(C)C ZINC000183711995 275210868 /nfs/dbraw/zinc/21/08/68/275210868.db2.gz WQIYRZRPBLJKMM-CQSZACIVSA-N 2 1 328.298 3.300 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(OC)c(C)c2)CC1 ZINC000273092140 275245207 /nfs/dbraw/zinc/24/52/07/275245207.db2.gz RQXQJIMHPCOVQC-SFHVURJKSA-N 2 1 333.520 3.072 20 0 EGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000278695447 275266397 /nfs/dbraw/zinc/26/63/97/275266397.db2.gz PLUBIHLETQBTGH-BBWFWOEESA-N 2 1 345.487 3.021 20 0 EGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000278695447 275266398 /nfs/dbraw/zinc/26/63/98/275266398.db2.gz PLUBIHLETQBTGH-BBWFWOEESA-N 2 1 345.487 3.021 20 0 EGADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000279743137 275355450 /nfs/dbraw/zinc/35/54/50/275355450.db2.gz PFMWXZZXVUDWDT-MGPUTAFESA-N 2 1 336.439 3.442 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000281247603 275533567 /nfs/dbraw/zinc/53/35/67/275533567.db2.gz NPHDSBFIOWACDQ-CQSZACIVSA-N 2 1 344.421 3.337 20 0 EGADMP COc1ccncc1COC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000287347278 276110659 /nfs/dbraw/zinc/11/06/59/276110659.db2.gz ZHLYNGPMNXMXDW-QGZVFWFLSA-N 2 1 340.423 3.046 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000287607530 276139095 /nfs/dbraw/zinc/13/90/95/276139095.db2.gz SHFOZKRZCQCPSI-AXAPSJFSSA-N 2 1 331.287 3.489 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000287607530 276139097 /nfs/dbraw/zinc/13/90/97/276139097.db2.gz SHFOZKRZCQCPSI-AXAPSJFSSA-N 2 1 331.287 3.489 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000287724965 276151080 /nfs/dbraw/zinc/15/10/80/276151080.db2.gz OTKQBUSXBFTALV-ROUUACIJSA-N 2 1 341.503 3.430 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287904245 276168303 /nfs/dbraw/zinc/16/83/03/276168303.db2.gz ZUNARHMIJFXQHI-SJORKVTESA-N 2 1 327.476 3.038 20 0 EGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000289173755 276299976 /nfs/dbraw/zinc/29/99/76/276299976.db2.gz HVQZCOOFTDLFAS-FQEVSTJZSA-N 2 1 341.499 3.290 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000111039780 276309682 /nfs/dbraw/zinc/30/96/82/276309682.db2.gz MHOBGIHEKBVKML-FQEVSTJZSA-N 2 1 345.531 3.452 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000289742742 276386636 /nfs/dbraw/zinc/38/66/36/276386636.db2.gz MEAXQSXQJMVRMN-RYUDHWBXSA-N 2 1 337.265 3.336 20 0 EGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1nccc2ccccc21 ZINC000289745201 276387202 /nfs/dbraw/zinc/38/72/02/276387202.db2.gz MFXYJUAEDCRYHK-QGZVFWFLSA-N 2 1 340.515 3.159 20 0 EGADMP Fc1ccc([C@H](C[C@@H]2CCCO2)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000290045979 276439148 /nfs/dbraw/zinc/43/91/48/276439148.db2.gz BTUKZECAIRWILB-SNRMKQJTSA-N 2 1 343.446 3.485 20 0 EGADMP COc1ccsc1[C@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290435803 276495307 /nfs/dbraw/zinc/49/53/07/276495307.db2.gz VIIPSFJBVJKQPJ-AWEZNQCLSA-N 2 1 349.500 3.333 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000123183701 277051644 /nfs/dbraw/zinc/05/16/44/277051644.db2.gz GGRNJTSLFORRDA-VQTJNVASSA-N 2 1 329.532 3.186 20 0 EGADMP CO[C@H](C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000338545315 277328933 /nfs/dbraw/zinc/32/89/33/277328933.db2.gz AFBTYYXXELNCQE-LVCYWYKZSA-N 2 1 346.515 3.195 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1CC1 ZINC000177288197 278358061 /nfs/dbraw/zinc/35/80/61/278358061.db2.gz ZSJDMVUSFVIPMG-MRXNPFEDSA-N 2 1 332.488 3.064 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[NH2+][C@@H]1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000342693735 279006705 /nfs/dbraw/zinc/00/67/05/279006705.db2.gz MVNGMTLIGJDDKC-HNBVOPMISA-N 2 1 343.515 3.059 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000158668438 279468193 /nfs/dbraw/zinc/46/81/93/279468193.db2.gz UUXFQHMQHWMHIL-CFLDLGCGSA-N 2 1 336.545 3.443 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCNc3ccccc32)C[C@H](C)O1 ZINC000248749700 288161594 /nfs/dbraw/zinc/16/15/94/288161594.db2.gz BVJYENXRGCNXMQ-QKLQHJQFSA-N 2 1 331.504 3.412 20 0 EGADMP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372329407 290264660 /nfs/dbraw/zinc/26/46/60/290264660.db2.gz BVOSWYMZAZGYFF-MDZRGWNJSA-N 2 1 335.923 3.359 20 0 EGADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372329407 290264665 /nfs/dbraw/zinc/26/46/65/290264665.db2.gz BVOSWYMZAZGYFF-MDZRGWNJSA-N 2 1 335.923 3.359 20 0 EGADMP COc1ccc(C2(C[NH2+][C@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)CCOCC2)cc1 ZINC000152665984 295113408 /nfs/dbraw/zinc/11/34/08/295113408.db2.gz SJFQEXNMMIYOND-UWVAXJGDSA-N 2 1 346.515 3.062 20 0 EGADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000051688427 307331263 /nfs/dbraw/zinc/33/12/63/307331263.db2.gz CBWDYCIEIRTDKJ-KRWDZBQOSA-N 2 1 343.515 3.162 20 0 EGADMP CC[NH+](CC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000051688427 307331265 /nfs/dbraw/zinc/33/12/65/307331265.db2.gz CBWDYCIEIRTDKJ-KRWDZBQOSA-N 2 1 343.515 3.162 20 0 EGADMP CC[NH+](CC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000051688427 307331268 /nfs/dbraw/zinc/33/12/68/307331268.db2.gz CBWDYCIEIRTDKJ-KRWDZBQOSA-N 2 1 343.515 3.162 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000066960892 307363997 /nfs/dbraw/zinc/36/39/97/307363997.db2.gz VBSMKORKCGUFPN-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)cn1 ZINC000414059193 309058236 /nfs/dbraw/zinc/05/82/36/309058236.db2.gz ILQIUXKSDHFXKD-QGZVFWFLSA-N 2 1 327.472 3.133 20 0 EGADMP COC(=O)c1cnc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000414073335 309059319 /nfs/dbraw/zinc/05/93/19/309059319.db2.gz NGGWJVOUSXFFIG-ZIAGYGMSSA-N 2 1 339.505 3.092 20 0 EGADMP COC(=O)c1cnc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)s1 ZINC000414073335 309059320 /nfs/dbraw/zinc/05/93/20/309059320.db2.gz NGGWJVOUSXFFIG-ZIAGYGMSSA-N 2 1 339.505 3.092 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414173615 309064588 /nfs/dbraw/zinc/06/45/88/309064588.db2.gz FYUXOBAJHTTYIP-HOCLYGCPSA-N 2 1 333.476 3.036 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)CCC)CC1 ZINC000249833403 308028830 /nfs/dbraw/zinc/02/88/30/308028830.db2.gz VENLDGPXRKSFSS-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CC1CC[NH+](CCN2CC[NH+](C/C=C\c3ccccc3)CC2)CC1 ZINC000254985205 308036378 /nfs/dbraw/zinc/03/63/78/308036378.db2.gz JDSIUYNNSOPBNK-YVMONPNESA-N 2 1 327.516 3.049 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1CN1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000414447171 309080623 /nfs/dbraw/zinc/08/06/23/309080623.db2.gz WKSMLUUOYDOPHA-UZLBHIALSA-N 2 1 342.462 3.236 20 0 EGADMP CSc1ccc(NC(=O)[C@@H](C)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292874149 308075107 /nfs/dbraw/zinc/07/51/07/308075107.db2.gz DMFOBLTUIPYPMF-DNVCBOLYSA-N 2 1 347.528 3.153 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)c(OC)c2Cl)[C@@H](C)C1 ZINC000293858135 308168294 /nfs/dbraw/zinc/16/82/94/308168294.db2.gz YUPMKKWNPGVJOY-DZGCQCFKSA-N 2 1 340.895 3.220 20 0 EGADMP C[C@@H]1C[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)[C@H](C)O1 ZINC000294677230 308244924 /nfs/dbraw/zinc/24/49/24/308244924.db2.gz DXRRLJKBLBODEH-GUXCAODWSA-N 2 1 331.504 3.442 20 0 EGADMP CSc1ccc([C@H](C[NH2+]C2CC[NH+](C(C)C)CC2)N(C)C)cc1 ZINC000294926708 308272541 /nfs/dbraw/zinc/27/25/41/308272541.db2.gz HEXTVCXAYXTGMT-IBGZPJMESA-N 2 1 335.561 3.474 20 0 EGADMP C[N@@H+](CCN1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Cc1ccccc1 ZINC000295009647 308281419 /nfs/dbraw/zinc/28/14/19/308281419.db2.gz SJCBHLUPXWVEMY-PZJWPPBQSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+](CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Cc1ccccc1 ZINC000295009647 308281420 /nfs/dbraw/zinc/28/14/20/308281420.db2.gz SJCBHLUPXWVEMY-PZJWPPBQSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+](CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Cc1ccccc1 ZINC000295009647 308281421 /nfs/dbraw/zinc/28/14/21/308281421.db2.gz SJCBHLUPXWVEMY-PZJWPPBQSA-N 2 1 327.516 3.067 20 0 EGADMP OC[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000295897449 308372040 /nfs/dbraw/zinc/37/20/40/308372040.db2.gz YUQIWZFHOZWBPK-CSEOROSGSA-N 2 1 342.527 3.428 20 0 EGADMP CC(C)C[C@H]([NH3+])c1noc([C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)n1 ZINC000414632833 309092885 /nfs/dbraw/zinc/09/28/85/309092885.db2.gz YEXRAQDBGUUEKK-UTUOFQBUSA-N 2 1 348.413 3.492 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000296069544 308390548 /nfs/dbraw/zinc/39/05/48/308390548.db2.gz SCJFMURUCDDZIQ-APWZRJJASA-N 2 1 342.487 3.399 20 0 EGADMP C[NH+]1CCC([NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000296104586 308393809 /nfs/dbraw/zinc/39/38/09/308393809.db2.gz UNOONEZKCJYMMA-KRWDZBQOSA-N 2 1 337.305 3.454 20 0 EGADMP C[C@H]1C[C@H](C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000414716124 309096993 /nfs/dbraw/zinc/09/69/93/309096993.db2.gz ZJPDNCZMVIZGIS-GXTWGEPZSA-N 2 1 331.287 3.176 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OCc1ccccc1 ZINC000414664873 309094434 /nfs/dbraw/zinc/09/44/34/309094434.db2.gz ULEBZAWSNZULCU-QFBILLFUSA-N 2 1 340.467 3.443 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000414742270 309098309 /nfs/dbraw/zinc/09/83/09/309098309.db2.gz FYKPVOSCVDQNGE-DGCLKSJQSA-N 2 1 329.257 3.408 20 0 EGADMP C[C@H]1C[C@H](C[N@H+]2CCOc3ccc(Br)cc3C2)CC[NH2+]1 ZINC000414755220 309099034 /nfs/dbraw/zinc/09/90/34/309099034.db2.gz HCCYOALDOWEXFU-QWHCGFSZSA-N 2 1 339.277 3.032 20 0 EGADMP Fc1cc(Br)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414779906 309100572 /nfs/dbraw/zinc/10/05/72/309100572.db2.gz KXAQDUGHTMYNGU-CHWSQXEVSA-N 2 1 341.268 3.410 20 0 EGADMP CCOc1c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)nn1CC(C)C ZINC000414785399 309101194 /nfs/dbraw/zinc/10/11/94/309101194.db2.gz SOVRJDJCPJNBAE-ZWKOTPCHSA-N 2 1 348.535 3.068 20 0 EGADMP c1cc(OC[C@@H]2CCCO2)ccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414788488 309101246 /nfs/dbraw/zinc/10/12/46/309101246.db2.gz WPJGTAWTUNOZOP-DYXWJJEUSA-N 2 1 344.499 3.066 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Cl)c(Cl)c2)CC12CCOCC2 ZINC000414788784 309101301 /nfs/dbraw/zinc/10/13/01/309101301.db2.gz NIGUCBKGWTUDGV-ZDUSSCGKSA-N 2 1 329.271 3.181 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Cl)c(Cl)c2)CC12CCOCC2 ZINC000414788784 309101302 /nfs/dbraw/zinc/10/13/02/309101302.db2.gz NIGUCBKGWTUDGV-ZDUSSCGKSA-N 2 1 329.271 3.181 20 0 EGADMP FC(F)(F)COc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789184 309101564 /nfs/dbraw/zinc/10/15/64/309101564.db2.gz XVCKBNVHRQVUTL-LSDHHAIUSA-N 2 1 342.405 3.449 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2OC2CCCC2)CC12CCOCC2 ZINC000414792386 309101638 /nfs/dbraw/zinc/10/16/38/309101638.db2.gz RWTLPPFYQPKSJV-SFHVURJKSA-N 2 1 344.499 3.195 20 0 EGADMP c1cc2c(cc1[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)C1CC1)OCCO2 ZINC000298331876 308604054 /nfs/dbraw/zinc/60/40/54/308604054.db2.gz IWTKHNUPSMTNAZ-HXUWFJFHSA-N 2 1 328.456 3.125 20 0 EGADMP FC(F)(F)Oc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298536802 308622927 /nfs/dbraw/zinc/62/29/27/308622927.db2.gz SRAPXOQVCKZLGP-UHFFFAOYSA-N 2 1 328.378 3.344 20 0 EGADMP CC(C)(C)c1nc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cs1 ZINC000333180000 308852180 /nfs/dbraw/zinc/85/21/80/308852180.db2.gz RSHPTKOLSPWPCT-HOTGVXAUSA-N 2 1 337.533 3.159 20 0 EGADMP C[NH+](C)Cc1cnc(CN[C@@H](C[NH3+])c2ccc3ccccc3c2)s1 ZINC000414942289 309110433 /nfs/dbraw/zinc/11/04/33/309110433.db2.gz MKHXFFPPWWJRAO-SFHVURJKSA-N 2 1 340.496 3.148 20 0 EGADMP CCOc1cc(C[NH2+]C[C@@H]([NH3+])CC)ccc1OCc1ccccc1 ZINC000414978432 309112524 /nfs/dbraw/zinc/11/25/24/309112524.db2.gz LRPVNSXFOXEVFP-SFHVURJKSA-N 2 1 328.456 3.491 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1OC ZINC000415061217 309117520 /nfs/dbraw/zinc/11/75/20/309117520.db2.gz ZQEIFIASAHCBNR-OAHLLOKOSA-N 2 1 326.868 3.354 20 0 EGADMP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415082910 309119059 /nfs/dbraw/zinc/11/90/59/309119059.db2.gz MQPYPTACVGQGDW-IFMALSPDSA-N 2 1 346.478 3.498 20 0 EGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC000415098957 309120165 /nfs/dbraw/zinc/12/01/65/309120165.db2.gz GEPGLTCKEWVLJJ-NLWGTHIKSA-N 2 1 338.451 3.082 20 0 EGADMP CCOc1ccc(Oc2cc(C[NH2+]C[C@@]3(C)CC[NH2+]C3)ccn2)cc1 ZINC000415104305 309120600 /nfs/dbraw/zinc/12/06/00/309120600.db2.gz LAUQJLTZCQSTSG-FQEVSTJZSA-N 2 1 341.455 3.362 20 0 EGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000415124908 309122089 /nfs/dbraw/zinc/12/20/89/309122089.db2.gz KKPWNCSEHACBTB-WBVHZDCISA-N 2 1 347.484 3.121 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000415904977 309147382 /nfs/dbraw/zinc/14/73/82/309147382.db2.gz HIGXTKKPQSURMA-QAPCUYQASA-N 2 1 332.492 3.133 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000415922184 309148889 /nfs/dbraw/zinc/14/88/89/309148889.db2.gz SWTYNTVZCYIOGG-OAHLLOKOSA-N 2 1 332.492 3.038 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415970636 309152013 /nfs/dbraw/zinc/15/20/13/309152013.db2.gz FMBWEHIQMFYQPM-FUHWJXTLSA-N 2 1 344.503 3.264 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000415981740 309152655 /nfs/dbraw/zinc/15/26/55/309152655.db2.gz CMHWKIBCOGWTOM-UHFFFAOYSA-N 2 1 340.471 3.050 20 0 EGADMP C[C@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000416128785 309159924 /nfs/dbraw/zinc/15/99/24/309159924.db2.gz GYCHNAAACRKGOT-LMMKCTJWSA-N 2 1 331.504 3.059 20 0 EGADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417301714 309200997 /nfs/dbraw/zinc/20/09/97/309200997.db2.gz BWIHOCXDVPRSIJ-YESZJQIVSA-N 2 1 334.529 3.475 20 0 EGADMP CN(C)C(=O)c1ccccc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000417842678 309224741 /nfs/dbraw/zinc/22/47/41/309224741.db2.gz OPMFMKUFPUBREZ-UHFFFAOYSA-N 2 1 331.504 3.133 20 0 EGADMP CN(C)C(=O)c1ccccc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000417842678 309224742 /nfs/dbraw/zinc/22/47/42/309224742.db2.gz OPMFMKUFPUBREZ-UHFFFAOYSA-N 2 1 331.504 3.133 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000417982210 309230583 /nfs/dbraw/zinc/23/05/83/309230583.db2.gz MXMMIJJORXBOMU-BHDDXSALSA-N 2 1 336.479 3.147 20 0 EGADMP Brc1ccc2[nH+]ccc(N3CC[C@]4(CC[NH2+]C4)C3)c2c1 ZINC000420227688 309277599 /nfs/dbraw/zinc/27/75/99/309277599.db2.gz JHEXGAHRFUBNKC-INIZCTEOSA-N 2 1 332.245 3.187 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)CCC2)c1 ZINC000420292909 309279739 /nfs/dbraw/zinc/27/97/39/309279739.db2.gz QHKLCKNUBOPHTJ-MJGOQNOKSA-N 2 1 346.515 3.441 20 0 EGADMP Clc1ccc(-n2ccc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000420308851 309280948 /nfs/dbraw/zinc/28/09/48/309280948.db2.gz DPGABIWUKXQODC-INIZCTEOSA-N 2 1 344.890 3.347 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420314992 309281395 /nfs/dbraw/zinc/28/13/95/309281395.db2.gz RISIUHFNWMKMOK-AWEZNQCLSA-N 2 1 330.428 3.170 20 0 EGADMP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420322005 309282107 /nfs/dbraw/zinc/28/21/07/309282107.db2.gz DPRRSRKGNYAGHI-ARFHVFGLSA-N 2 1 347.528 3.057 20 0 EGADMP CCc1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420339505 309283262 /nfs/dbraw/zinc/28/32/62/309283262.db2.gz LWLPNBSWVKUKHM-ZWKOTPCHSA-N 2 1 340.471 3.121 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000420360681 309284148 /nfs/dbraw/zinc/28/41/48/309284148.db2.gz LIPCXXDTOPYBSO-IBGZPJMESA-N 2 1 349.563 3.458 20 0 EGADMP COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@H+]2CCOCC[NH3+])c1 ZINC000420370576 309284820 /nfs/dbraw/zinc/28/48/20/309284820.db2.gz JPRVBXILSXYPTE-SFTDATJTSA-N 2 1 340.467 3.201 20 0 EGADMP CCn1ccnc1[C@H]1CCCC[N@@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420372745 309284873 /nfs/dbraw/zinc/28/48/73/309284873.db2.gz LXOJKMGWACAXQN-PKOBYXMFSA-N 2 1 342.487 3.181 20 0 EGADMP CCn1ccnc1[C@H]1CCCC[N@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420372745 309284874 /nfs/dbraw/zinc/28/48/74/309284874.db2.gz LXOJKMGWACAXQN-PKOBYXMFSA-N 2 1 342.487 3.181 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1Cl ZINC000420411112 309286813 /nfs/dbraw/zinc/28/68/13/309286813.db2.gz YFPFLHINXMHTOF-WMLDXEAASA-N 2 1 335.879 3.133 20 0 EGADMP C[C@H](O)C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCCCC1 ZINC000420898424 309299784 /nfs/dbraw/zinc/29/97/84/309299784.db2.gz CWZCFABWXFUKSC-SFHVURJKSA-N 2 1 346.515 3.034 20 0 EGADMP C[C@H](O)C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCCCC1 ZINC000420898424 309299785 /nfs/dbraw/zinc/29/97/85/309299785.db2.gz CWZCFABWXFUKSC-SFHVURJKSA-N 2 1 346.515 3.034 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(C)ccc3F)CC2)CC1 ZINC000420986484 309306005 /nfs/dbraw/zinc/30/60/05/309306005.db2.gz YOAUKWUUMFIVSR-UHFFFAOYSA-N 2 1 333.495 3.126 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C3CC3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000421318839 309318119 /nfs/dbraw/zinc/31/81/19/309318119.db2.gz IKUHTKVGCHPQKX-UTKZUKDTSA-N 2 1 327.516 3.022 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc([C@H]4C[C@@H]4C)o3)CC2)CC1 ZINC000421367212 309320778 /nfs/dbraw/zinc/32/07/78/309320778.db2.gz DWEQJGGERBQLOL-PXNSSMCTSA-N 2 1 345.531 3.395 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C/C=C/c3ccc(F)cc3)CC2)CC1 ZINC000421369334 309320996 /nfs/dbraw/zinc/32/09/96/309320996.db2.gz HITCXLRSNIKQIH-HWKANZROSA-N 2 1 345.506 3.331 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C[C@@H]2CCC[NH+]2C)cc1)C(C)C ZINC000421708015 309335891 /nfs/dbraw/zinc/33/58/91/309335891.db2.gz YWKQPOIPBGWXJZ-IBGZPJMESA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1)C(C)C ZINC000421708015 309335892 /nfs/dbraw/zinc/33/58/92/309335892.db2.gz YWKQPOIPBGWXJZ-IBGZPJMESA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1)C(C)C ZINC000421708015 309335893 /nfs/dbraw/zinc/33/58/93/309335893.db2.gz YWKQPOIPBGWXJZ-IBGZPJMESA-N 2 1 331.504 3.083 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccncc1Cl ZINC000421834397 309342251 /nfs/dbraw/zinc/34/22/51/309342251.db2.gz CFXBQMYKBUJVOH-WMLDXEAASA-N 2 1 345.874 3.152 20 0 EGADMP CCN(C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)[C@H](C)c1ccc(F)cc1 ZINC000422633897 309362993 /nfs/dbraw/zinc/36/29/93/309362993.db2.gz JARRLHDEFCPOPU-KONPQCLYSA-N 2 1 349.494 3.040 20 0 EGADMP CCN(C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)[C@H](C)c1ccc(F)cc1 ZINC000422633897 309362994 /nfs/dbraw/zinc/36/29/94/309362994.db2.gz JARRLHDEFCPOPU-KONPQCLYSA-N 2 1 349.494 3.040 20 0 EGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C[C@H]1C[NH3+] ZINC000422635514 309363125 /nfs/dbraw/zinc/36/31/25/309363125.db2.gz LMBAJJJQPPXSBZ-IXDOHACOSA-N 2 1 338.499 3.166 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C[C@H]1C[NH3+] ZINC000422635514 309363126 /nfs/dbraw/zinc/36/31/26/309363126.db2.gz LMBAJJJQPPXSBZ-IXDOHACOSA-N 2 1 338.499 3.166 20 0 EGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@H]1C[NH3+] ZINC000422635653 309363191 /nfs/dbraw/zinc/36/31/91/309363191.db2.gz LUPCROPSJJCFTP-MBNYWOFBSA-N 2 1 335.398 3.425 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@H]1C[NH3+] ZINC000422635653 309363192 /nfs/dbraw/zinc/36/31/92/309363192.db2.gz LUPCROPSJJCFTP-MBNYWOFBSA-N 2 1 335.398 3.425 20 0 EGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C[C@@H]1C[NH3+] ZINC000422635513 309363276 /nfs/dbraw/zinc/36/32/76/309363276.db2.gz LMBAJJJQPPXSBZ-IKGGRYGDSA-N 2 1 338.499 3.166 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C[C@@H]1C[NH3+] ZINC000422635513 309363277 /nfs/dbraw/zinc/36/32/77/309363277.db2.gz LMBAJJJQPPXSBZ-IKGGRYGDSA-N 2 1 338.499 3.166 20 0 EGADMP CCOc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])ccc1OC ZINC000422729203 309365590 /nfs/dbraw/zinc/36/55/90/309365590.db2.gz KCSYCQCZFZMENL-YJBOKZPZSA-N 2 1 328.456 3.142 20 0 EGADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)[C@H]3CCCCN3)CC2)cc1 ZINC000422784355 309368153 /nfs/dbraw/zinc/36/81/53/309368153.db2.gz PNZIHKRSIUMJHO-DYESRHJHSA-N 2 1 345.531 3.027 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422814094 309369997 /nfs/dbraw/zinc/36/99/97/309369997.db2.gz ZMVFTOGCQANODJ-AVRDEDQJSA-N 3 1 337.511 3.331 20 0 EGADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422814094 309369998 /nfs/dbraw/zinc/36/99/98/309369998.db2.gz ZMVFTOGCQANODJ-AVRDEDQJSA-N 2 1 337.511 3.331 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(OC(C)C)c1 ZINC000422871144 309373047 /nfs/dbraw/zinc/37/30/47/309373047.db2.gz CNQOTWYTMLVGSO-CEXWTWQISA-N 2 1 332.488 3.029 20 0 EGADMP CCC([NH3+])(CC)CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422885704 309374045 /nfs/dbraw/zinc/37/40/45/309374045.db2.gz ZFGKWPVLERLNPM-MRXNPFEDSA-N 2 1 346.519 3.127 20 0 EGADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000422892243 309374558 /nfs/dbraw/zinc/37/45/58/309374558.db2.gz XZMWQARRFIWGGI-LIRRHRJNSA-N 2 1 329.419 3.491 20 0 EGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422931398 309376772 /nfs/dbraw/zinc/37/67/72/309376772.db2.gz XPOWIQPHEHQJSF-MOPGFXCFSA-N 2 1 329.488 3.062 20 0 EGADMP CC(C)CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422941876 309377331 /nfs/dbraw/zinc/37/73/31/309377331.db2.gz VVJXYHNYCCJWKO-XUVXKRRUSA-N 2 1 346.515 3.358 20 0 EGADMP c1cc(-c2ccccc2)oc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000422974450 309379070 /nfs/dbraw/zinc/37/90/70/309379070.db2.gz QZVRFVWTDLWEII-OTWHNJEPSA-N 2 1 326.440 3.193 20 0 EGADMP Clc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000423021870 309381463 /nfs/dbraw/zinc/38/14/63/309381463.db2.gz GJXPPYNBJHALQV-QGTPRVQTSA-N 2 1 334.891 3.118 20 0 EGADMP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000423027893 309381725 /nfs/dbraw/zinc/38/17/25/309381725.db2.gz FKEIPTFYIBSELG-NMBAIYOOSA-N 3 1 327.516 3.147 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000423036576 309382276 /nfs/dbraw/zinc/38/22/76/309382276.db2.gz APXSXJWUZAIWND-MQIPJXDCSA-N 2 1 328.287 3.302 20 0 EGADMP C[C@H](CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[NH+]1CCCCC1 ZINC000423035675 309382307 /nfs/dbraw/zinc/38/23/07/309382307.db2.gz SGOKMHWKXVSHCZ-QFUCXCTJSA-N 3 1 343.515 3.096 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000423079162 309384807 /nfs/dbraw/zinc/38/48/07/309384807.db2.gz XLNFMTSPHCCRCM-ZRNYENFQSA-N 2 1 326.415 3.026 20 0 EGADMP CC[C@H]([NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)[C@@H]1CCC[NH2+]1 ZINC000423077937 309384919 /nfs/dbraw/zinc/38/49/19/309384919.db2.gz UTTUREALHJHBOP-VNTMZGSJSA-N 2 1 334.479 3.020 20 0 EGADMP CC1(C)[C@@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000423169751 309389017 /nfs/dbraw/zinc/38/90/17/309389017.db2.gz KKQQQXWVDFSHEG-IVDHNXQLSA-N 2 1 328.500 3.173 20 0 EGADMP COc1cc(OC)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000423212658 309390593 /nfs/dbraw/zinc/39/05/93/309390593.db2.gz IXBCWEMCZMZXJJ-RWMBFGLXSA-N 2 1 326.868 3.396 20 0 EGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000423266100 309393130 /nfs/dbraw/zinc/39/31/30/309393130.db2.gz CTJPYPBTNCOZKT-NXEZZACHSA-N 2 1 338.345 3.396 20 0 EGADMP C[C@H](N[C@@H](C[NH3+])C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423268552 309393188 /nfs/dbraw/zinc/39/31/88/309393188.db2.gz UUBIGEZXTBPFDF-WMQCIHAUSA-N 2 1 329.532 3.394 20 0 EGADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000423320281 309394936 /nfs/dbraw/zinc/39/49/36/309394936.db2.gz DKEYQBIZFXEKBY-MBOZVWFJSA-N 2 1 343.515 3.065 20 0 EGADMP COc1ccc(C[C@H]([NH2+]C[C@@H]([NH3+])C2CC2)c2ccc(OC)cc2)cc1 ZINC000423336530 309396017 /nfs/dbraw/zinc/39/60/17/309396017.db2.gz XTIDCUNGZZCNFB-RTWAWAEBSA-N 2 1 340.467 3.315 20 0 EGADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423341925 309396176 /nfs/dbraw/zinc/39/61/76/309396176.db2.gz YFCQTDZBEDUVSZ-HOCLYGCPSA-N 2 1 336.451 3.306 20 0 EGADMP COCC1CCC([NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000423369288 309397285 /nfs/dbraw/zinc/39/72/85/309397285.db2.gz ODBXJFHSVXZCIU-HOUAELIMSA-N 2 1 338.442 3.205 20 0 EGADMP COCC1CCC([NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000423369290 309397421 /nfs/dbraw/zinc/39/74/21/309397421.db2.gz ODBXJFHSVXZCIU-UGSUZCALSA-N 2 1 338.442 3.205 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]1 ZINC000423371313 309397558 /nfs/dbraw/zinc/39/75/58/309397558.db2.gz FITLARXIYRVLSZ-SGCGGLILSA-N 2 1 341.543 3.407 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]1 ZINC000423371313 309397559 /nfs/dbraw/zinc/39/75/59/309397559.db2.gz FITLARXIYRVLSZ-SGCGGLILSA-N 3 1 341.543 3.407 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]1 ZINC000423371313 309397560 /nfs/dbraw/zinc/39/75/60/309397560.db2.gz FITLARXIYRVLSZ-SGCGGLILSA-N 3 1 341.543 3.407 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3cc(Br)ccc32)CC[NH2+]1 ZINC000423398746 309398592 /nfs/dbraw/zinc/39/85/92/309398592.db2.gz VKKFVGWFWVEMGR-KYOSRNDESA-N 2 1 339.277 3.393 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(F)cn1 ZINC000423472969 309401651 /nfs/dbraw/zinc/40/16/51/309401651.db2.gz NMZAPWDWCZJFLT-QIIPPGSGSA-N 2 1 331.410 3.404 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449027388 310030536 /nfs/dbraw/zinc/03/05/36/310030536.db2.gz IAYKRYYBAXTUDI-MRXNPFEDSA-N 2 1 344.478 3.390 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449027388 310030537 /nfs/dbraw/zinc/03/05/37/310030537.db2.gz IAYKRYYBAXTUDI-MRXNPFEDSA-N 2 1 344.478 3.390 20 0 EGADMP CCn1nnc(C)c1C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000449108023 310037673 /nfs/dbraw/zinc/03/76/73/310037673.db2.gz RWXCQBQUPCATSW-UHFFFAOYSA-N 2 1 341.503 3.272 20 0 EGADMP CC[N@@H+](CCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C(C)C ZINC000449112277 310037994 /nfs/dbraw/zinc/03/79/94/310037994.db2.gz QGXQOEIKFQLKTC-IBGZPJMESA-N 2 1 331.548 3.402 20 0 EGADMP COc1cc(F)cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000449119732 310038406 /nfs/dbraw/zinc/03/84/06/310038406.db2.gz AKPSFWMUNRTKPC-GOSISDBHSA-N 2 1 342.458 3.489 20 0 EGADMP COc1cc(F)cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000449119732 310038407 /nfs/dbraw/zinc/03/84/07/310038407.db2.gz AKPSFWMUNRTKPC-GOSISDBHSA-N 2 1 342.458 3.489 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449132741 310039191 /nfs/dbraw/zinc/03/91/91/310039191.db2.gz WBHGUQCPRKMFGG-GOSISDBHSA-N 2 1 332.488 3.448 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCC(OC3CCCC3)CC2)CCCO1 ZINC000449280754 310049790 /nfs/dbraw/zinc/04/97/90/310049790.db2.gz BFJHLFZAAMCXAS-ZJRDLVKKSA-N 2 1 338.536 3.347 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCC(OC3CCCC3)CC2)CCCO1 ZINC000449280754 310049791 /nfs/dbraw/zinc/04/97/91/310049791.db2.gz BFJHLFZAAMCXAS-ZJRDLVKKSA-N 2 1 338.536 3.347 20 0 EGADMP Cn1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(-c2ccc(F)cc2)n1 ZINC000449318919 310053133 /nfs/dbraw/zinc/05/31/33/310053133.db2.gz FEIGACACVMRFLU-DFNIBXOVSA-N 2 1 342.462 3.283 20 0 EGADMP Cn1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(-c2ccc(F)cc2)n1 ZINC000449318919 310053134 /nfs/dbraw/zinc/05/31/34/310053134.db2.gz FEIGACACVMRFLU-DFNIBXOVSA-N 2 1 342.462 3.283 20 0 EGADMP Cn1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(-c2ccc(F)cc2)n1 ZINC000449318919 310053135 /nfs/dbraw/zinc/05/31/35/310053135.db2.gz FEIGACACVMRFLU-DFNIBXOVSA-N 2 1 342.462 3.283 20 0 EGADMP Cn1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(-c2ccc(F)cc2)n1 ZINC000449318919 310053136 /nfs/dbraw/zinc/05/31/36/310053136.db2.gz FEIGACACVMRFLU-DFNIBXOVSA-N 2 1 342.462 3.283 20 0 EGADMP CCN(C)C(=O)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C(C)C ZINC000449439234 310062256 /nfs/dbraw/zinc/06/22/56/310062256.db2.gz HBXBMXFNABAPOK-WDSOQIARSA-N 2 1 337.552 3.122 20 0 EGADMP Cc1nccn1C[C@H]1CCC[N@H+]1CCCC(=O)c1ccc(F)cc1 ZINC000450470949 310124516 /nfs/dbraw/zinc/12/45/16/310124516.db2.gz JPNURZKFCDQEAX-GOSISDBHSA-N 2 1 329.419 3.458 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CCCC(C)(C)C)C2)CC1 ZINC000451525676 310183075 /nfs/dbraw/zinc/18/30/75/310183075.db2.gz GNUXYDLWRIPHFZ-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CCCC(C)(C)C)C2)CC1 ZINC000451525676 310183076 /nfs/dbraw/zinc/18/30/76/310183076.db2.gz GNUXYDLWRIPHFZ-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC000451525676 310183077 /nfs/dbraw/zinc/18/30/77/310183077.db2.gz GNUXYDLWRIPHFZ-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC000451525676 310183078 /nfs/dbraw/zinc/18/30/78/310183078.db2.gz GNUXYDLWRIPHFZ-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000453058133 310254797 /nfs/dbraw/zinc/25/47/97/310254797.db2.gz KAIGWVZXNPWJSI-QZTJIDSGSA-N 2 1 338.499 3.429 20 0 EGADMP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000453068227 310255620 /nfs/dbraw/zinc/25/56/20/310255620.db2.gz XZNQZCCVYUBVJQ-MSOLQXFVSA-N 2 1 338.499 3.429 20 0 EGADMP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C12CCC2 ZINC000453101044 310258043 /nfs/dbraw/zinc/25/80/43/310258043.db2.gz YOPBALJHKWSJIX-VQTJNVASSA-N 2 1 328.500 3.241 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000453136191 310260287 /nfs/dbraw/zinc/26/02/87/310260287.db2.gz HSACPIFHAOSCDH-IIMDRIAPSA-N 2 1 338.499 3.154 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(N2CCCC2=O)c1 ZINC000453366866 310273287 /nfs/dbraw/zinc/27/32/87/310273287.db2.gz TUYOOIHFLUTRND-CCNLRDMRSA-N 2 1 327.472 3.089 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(N2CCCC2=O)c1 ZINC000453366866 310273288 /nfs/dbraw/zinc/27/32/88/310273288.db2.gz TUYOOIHFLUTRND-CCNLRDMRSA-N 2 1 327.472 3.089 20 0 EGADMP Cc1cc(Br)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000453588848 310283239 /nfs/dbraw/zinc/28/32/39/310283239.db2.gz WBCACLGIDLVQLI-LLVKDONJSA-N 2 1 329.307 3.393 20 0 EGADMP Cc1cc(Br)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000453588848 310283240 /nfs/dbraw/zinc/28/32/40/310283240.db2.gz WBCACLGIDLVQLI-LLVKDONJSA-N 2 1 329.307 3.393 20 0 EGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000474478313 310794388 /nfs/dbraw/zinc/79/43/88/310794388.db2.gz OMKUOFSMQLZMQO-IRXDYDNUSA-N 2 1 344.478 3.469 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H]1C ZINC000474611620 310796669 /nfs/dbraw/zinc/79/66/69/310796669.db2.gz GJPOSTFVCZDBKV-ZBRFXRBCSA-N 2 1 338.536 3.310 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488358438 311062227 /nfs/dbraw/zinc/06/22/27/311062227.db2.gz XQQUDEXPCOPBIG-GOSISDBHSA-N 2 1 333.451 3.240 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000492694868 311281338 /nfs/dbraw/zinc/28/13/38/311281338.db2.gz FLIAXOJTDDWLNM-ZACQAIPSSA-N 2 1 339.524 3.144 20 0 EGADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCc4ccccc4OC3)CC2)[nH+]1 ZINC000493978363 311449140 /nfs/dbraw/zinc/44/91/40/311449140.db2.gz RYDIHPGLGUYHBW-LJQANCHMSA-N 2 1 337.467 3.342 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000496256967 311685721 /nfs/dbraw/zinc/68/57/21/311685721.db2.gz VABFGAAPPIJLOT-UHFFFAOYSA-N 2 1 348.491 3.057 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1OC ZINC000503197208 311982921 /nfs/dbraw/zinc/98/29/21/311982921.db2.gz DMHGCLXGNKILPN-IAGOWNOFSA-N 2 1 347.503 3.124 20 0 EGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507521209 312075847 /nfs/dbraw/zinc/07/58/47/312075847.db2.gz WHHKEZIOXYTMDB-XDWAVFMPSA-N 2 1 328.500 3.302 20 0 EGADMP CCCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCCCC1 ZINC000508577439 312097315 /nfs/dbraw/zinc/09/73/15/312097315.db2.gz HHFNUQABXIEIJG-UHFFFAOYSA-N 2 1 345.535 3.163 20 0 EGADMP CCCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCCCC1 ZINC000508577439 312097317 /nfs/dbraw/zinc/09/73/17/312097317.db2.gz HHFNUQABXIEIJG-UHFFFAOYSA-N 2 1 345.535 3.163 20 0 EGADMP C[C@H](C[NH+]1CCCCC1)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721534 312100694 /nfs/dbraw/zinc/10/06/94/312100694.db2.gz VHRHHDOEBOPNBT-DYXWJJEUSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](CN1CCCCC1)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508721534 312100696 /nfs/dbraw/zinc/10/06/96/312100696.db2.gz VHRHHDOEBOPNBT-DYXWJJEUSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H](CN1CCCCC1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721534 312100697 /nfs/dbraw/zinc/10/06/97/312100697.db2.gz VHRHHDOEBOPNBT-DYXWJJEUSA-N 3 1 329.532 3.361 20 0 EGADMP CC[NH+](CC)CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512631407 312191269 /nfs/dbraw/zinc/19/12/69/312191269.db2.gz QRNHAKMSLHHXBY-PCCBWWKXSA-N 2 1 329.532 3.219 20 0 EGADMP CCN(CC)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512631407 312191271 /nfs/dbraw/zinc/19/12/71/312191271.db2.gz QRNHAKMSLHHXBY-PCCBWWKXSA-N 2 1 329.532 3.219 20 0 EGADMP CCN(CC)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512631407 312191272 /nfs/dbraw/zinc/19/12/72/312191272.db2.gz QRNHAKMSLHHXBY-PCCBWWKXSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512654214 312191742 /nfs/dbraw/zinc/19/17/42/312191742.db2.gz KFCUVYXOWMGJSQ-WJMWBRGCSA-N 2 1 328.500 3.038 20 0 EGADMP Cc1cccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1C ZINC000512672730 312192168 /nfs/dbraw/zinc/19/21/68/312192168.db2.gz KHADSFWEIHCSBH-KDURUIRLSA-N 2 1 329.532 3.294 20 0 EGADMP CN(C[C@H](O)C[N@H+](Cc1ccccc1F)C1CCCCC1)C1CC1 ZINC000515334253 312277128 /nfs/dbraw/zinc/27/71/28/312277128.db2.gz WYKNPDCMVCQSBK-IBGZPJMESA-N 2 1 334.479 3.416 20 0 EGADMP CN(C[C@H](O)C[N@@H+](Cc1ccccc1F)C1CCCCC1)C1CC1 ZINC000515334253 312277130 /nfs/dbraw/zinc/27/71/30/312277130.db2.gz WYKNPDCMVCQSBK-IBGZPJMESA-N 2 1 334.479 3.416 20 0 EGADMP Cc1ncc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n1C ZINC000515673368 312294424 /nfs/dbraw/zinc/29/44/24/312294424.db2.gz WNKSVDRBBWNFJB-IBGZPJMESA-N 2 1 326.488 3.120 20 0 EGADMP Cc1ncc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1C ZINC000515673368 312294426 /nfs/dbraw/zinc/29/44/26/312294426.db2.gz WNKSVDRBBWNFJB-IBGZPJMESA-N 2 1 326.488 3.120 20 0 EGADMP C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000515777195 312297496 /nfs/dbraw/zinc/29/74/96/312297496.db2.gz YZQOEKNNMXCWJK-GXRSIYKFSA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000515777195 312297497 /nfs/dbraw/zinc/29/74/97/312297497.db2.gz YZQOEKNNMXCWJK-GXRSIYKFSA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000515777195 312297499 /nfs/dbraw/zinc/29/74/99/312297499.db2.gz YZQOEKNNMXCWJK-GXRSIYKFSA-N 2 1 341.543 3.361 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000515777195 312297500 /nfs/dbraw/zinc/29/75/00/312297500.db2.gz YZQOEKNNMXCWJK-GXRSIYKFSA-N 3 1 341.543 3.361 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000515777195 312297502 /nfs/dbraw/zinc/29/75/02/312297502.db2.gz YZQOEKNNMXCWJK-GXRSIYKFSA-N 3 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000515777195 312297503 /nfs/dbraw/zinc/29/75/03/312297503.db2.gz YZQOEKNNMXCWJK-GXRSIYKFSA-N 3 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000515777195 312297504 /nfs/dbraw/zinc/29/75/04/312297504.db2.gz YZQOEKNNMXCWJK-GXRSIYKFSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc(F)c(Br)cc1F ZINC000527892077 312966969 /nfs/dbraw/zinc/96/69/69/312966969.db2.gz MXNQTJGYZFVXNI-VIFPVBQESA-N 2 1 344.203 3.354 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3(O)CCC(c4ccccc4)CC3)CC[C@@H]21 ZINC000528404664 313085841 /nfs/dbraw/zinc/08/58/41/313085841.db2.gz IHGFROMBZQPXBT-QSRFUDQGSA-N 2 1 342.527 3.491 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(O)CCC(c4ccccc4)CC3)CC[C@@H]21 ZINC000528404664 313085842 /nfs/dbraw/zinc/08/58/42/313085842.db2.gz IHGFROMBZQPXBT-QSRFUDQGSA-N 2 1 342.527 3.491 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000528441692 313094281 /nfs/dbraw/zinc/09/42/81/313094281.db2.gz QVRVURUYERYYGQ-ABSDTBQOSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000528441692 313094285 /nfs/dbraw/zinc/09/42/85/313094285.db2.gz QVRVURUYERYYGQ-ABSDTBQOSA-N 2 1 347.547 3.163 20 0 EGADMP COc1cccc([C@@H]2C[N@@H+](Cc3cnc(N(C)C)n3C)CC2(C)C)c1 ZINC000529642352 313376312 /nfs/dbraw/zinc/37/63/12/313376312.db2.gz VZMBZFGZXYYQJI-SFHVURJKSA-N 2 1 342.487 3.120 20 0 EGADMP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1(C)C ZINC000531722781 313705879 /nfs/dbraw/zinc/70/58/79/313705879.db2.gz MJFUMGSNTLYGCO-RBUKOAKNSA-N 2 1 334.479 3.236 20 0 EGADMP COc1ncc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1Cl ZINC000535043860 314018735 /nfs/dbraw/zinc/01/87/35/314018735.db2.gz OWLJYLCXWUXGBM-UHFFFAOYSA-N 2 1 325.884 3.297 20 0 EGADMP C[C@H]1C[C@H](CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000537939230 314217859 /nfs/dbraw/zinc/21/78/59/314217859.db2.gz IIZNNKKMQOXRFM-ZFMNYDKASA-N 3 1 329.532 3.217 20 0 EGADMP C[C@H]1C[C@H](CC[NH2+][C@H]2CC[NH+](C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000537939230 314217863 /nfs/dbraw/zinc/21/78/63/314217863.db2.gz IIZNNKKMQOXRFM-ZFMNYDKASA-N 3 1 329.532 3.217 20 0 EGADMP C[C@H]1C[C@H](CC[NH2+][C@H]2CC[NH+](C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000537939230 314217864 /nfs/dbraw/zinc/21/78/64/314217864.db2.gz IIZNNKKMQOXRFM-ZFMNYDKASA-N 3 1 329.532 3.217 20 0 EGADMP C[C@H]1C[C@H](CC[NH2+][C@H]2CCN(C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000537939230 314217869 /nfs/dbraw/zinc/21/78/69/314217869.db2.gz IIZNNKKMQOXRFM-ZFMNYDKASA-N 2 1 329.532 3.217 20 0 EGADMP C[C@H]1C[C@H](CC[NH2+][C@H]2CCN(C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000537939230 314217872 /nfs/dbraw/zinc/21/78/72/314217872.db2.gz IIZNNKKMQOXRFM-ZFMNYDKASA-N 2 1 329.532 3.217 20 0 EGADMP COc1cccc2cc([C@H](C)[NH2+]CCCCN3CC[NH+](C)CC3)oc21 ZINC000538398085 314244294 /nfs/dbraw/zinc/24/42/94/314244294.db2.gz JSQSFDNBRABNRI-INIZCTEOSA-N 2 1 345.487 3.120 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000538806766 314277169 /nfs/dbraw/zinc/27/71/69/314277169.db2.gz RIGGKBSRAIQIHN-UHFFFAOYSA-N 2 1 331.504 3.240 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000539558247 314320743 /nfs/dbraw/zinc/32/07/43/314320743.db2.gz LYYNAYMJXVLLPH-BLLLJJGKSA-N 2 1 331.287 3.440 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOC2CCCCC2)[C@@H](C)C1 ZINC000540175468 314367746 /nfs/dbraw/zinc/36/77/46/314367746.db2.gz IXVMCCRZIYJSIP-PKOBYXMFSA-N 2 1 326.525 3.062 20 0 EGADMP O[C@@H](C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1)C[NH+]1CCCC1 ZINC000091306294 454425282 /nfs/dbraw/zinc/42/52/82/454425282.db2.gz AHIYGFIEDFVIEA-WMLDXEAASA-N 2 1 343.298 3.491 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3CCC34CCOCC4)C2)cc1 ZINC000548860825 315056210 /nfs/dbraw/zinc/05/62/10/315056210.db2.gz WOGDEBOUGYUFFG-UXHICEINSA-N 2 1 328.500 3.100 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc(Br)c3C2)CC[N@@H+]1C ZINC000550156378 315118547 /nfs/dbraw/zinc/11/85/47/315118547.db2.gz WEJYAHGBWKGELI-SNPRPXQTSA-N 2 1 337.305 3.379 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc(Br)c3C2)CC[N@H+]1C ZINC000550156378 315118550 /nfs/dbraw/zinc/11/85/50/315118550.db2.gz WEJYAHGBWKGELI-SNPRPXQTSA-N 2 1 337.305 3.379 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CCCO1 ZINC000551517015 315156895 /nfs/dbraw/zinc/15/68/95/315156895.db2.gz ASDYCFZOINXFIO-MISYRCLQSA-N 2 1 346.515 3.323 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CCCO1 ZINC000551517015 315156896 /nfs/dbraw/zinc/15/68/96/315156896.db2.gz ASDYCFZOINXFIO-MISYRCLQSA-N 2 1 346.515 3.323 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCCC[NH+](C)C ZINC000552361567 315216027 /nfs/dbraw/zinc/21/60/27/315216027.db2.gz DMJOUNFNEAVFJQ-SFHVURJKSA-N 2 1 345.531 3.409 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCCC[NH+](C)C)cc1 ZINC000552362580 315216143 /nfs/dbraw/zinc/21/61/43/315216143.db2.gz CVDUOZYPNBHNCK-GOSISDBHSA-N 2 1 345.531 3.409 20 0 EGADMP C[C@@H]1C[C@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC000554961073 315359325 /nfs/dbraw/zinc/35/93/25/315359325.db2.gz RSWQBDXCMVSHNU-WLRLJWMZSA-N 2 1 328.500 3.255 20 0 EGADMP C[C@@H]1C[C@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC000554961073 315359328 /nfs/dbraw/zinc/35/93/28/315359328.db2.gz RSWQBDXCMVSHNU-WLRLJWMZSA-N 2 1 328.500 3.255 20 0 EGADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCCC23CCC3)c2cccs2)CC1 ZINC000562646553 315868720 /nfs/dbraw/zinc/86/87/20/315868720.db2.gz RQWQIDQYOAFFSI-FUHWJXTLSA-N 2 1 333.545 3.349 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCC[C@@H]3C(C)C)CC2)CC1 ZINC000563383289 316012176 /nfs/dbraw/zinc/01/21/76/316012176.db2.gz OIOLJYFWIAVROK-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(C)(C)[C@H]3C(C)C)CC2)CC1 ZINC000563401740 316014852 /nfs/dbraw/zinc/01/48/52/316014852.db2.gz DVQSMIULDQSHPE-LJQANCHMSA-N 2 1 349.563 3.076 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc(Cl)cc1 ZINC000563407666 316016210 /nfs/dbraw/zinc/01/62/10/316016210.db2.gz OYBNDVIHUXRALX-SFHVURJKSA-N 2 1 349.906 3.076 20 0 EGADMP Cn1c2ccc(N[C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2[nH+]c1C(C)(C)C ZINC000563700272 316058461 /nfs/dbraw/zinc/05/84/61/316058461.db2.gz GVHQKXXXZLWAPO-ROUUACIJSA-N 2 1 342.487 3.050 20 0 EGADMP c1cn2c(cccc2C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)n1 ZINC000564589130 316171858 /nfs/dbraw/zinc/17/18/58/316171858.db2.gz RJXGKQKKTCANEN-UHFFFAOYSA-N 2 1 344.422 3.080 20 0 EGADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000565164146 316279200 /nfs/dbraw/zinc/27/92/00/316279200.db2.gz MBUODWYRVNPQPF-CJNGLKHVSA-N 2 1 332.410 3.401 20 0 EGADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000565164146 316279203 /nfs/dbraw/zinc/27/92/03/316279203.db2.gz MBUODWYRVNPQPF-CJNGLKHVSA-N 2 1 332.410 3.401 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000565164146 316279206 /nfs/dbraw/zinc/27/92/06/316279206.db2.gz MBUODWYRVNPQPF-CJNGLKHVSA-N 2 1 332.410 3.401 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000565164146 316279210 /nfs/dbraw/zinc/27/92/10/316279210.db2.gz MBUODWYRVNPQPF-CJNGLKHVSA-N 2 1 332.410 3.401 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C3CCCCCC3)CC2)CC1 ZINC000565175531 316282774 /nfs/dbraw/zinc/28/27/74/316282774.db2.gz ZZJOOOJIZIDOMR-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000565315057 316308667 /nfs/dbraw/zinc/30/86/67/316308667.db2.gz LIBULCGCKCMNGF-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CC[N@@H+](C)C[C@H](O)CN(Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000565432137 316323889 /nfs/dbraw/zinc/32/38/89/316323889.db2.gz YKPNEAICPIHHHM-INIZCTEOSA-N 2 1 332.410 3.228 20 0 EGADMP CC[N@H+](C)C[C@H](O)C[NH+](Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000565432137 316323898 /nfs/dbraw/zinc/32/38/98/316323898.db2.gz YKPNEAICPIHHHM-INIZCTEOSA-N 2 1 332.410 3.228 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000565432137 316323900 /nfs/dbraw/zinc/32/39/00/316323900.db2.gz YKPNEAICPIHHHM-INIZCTEOSA-N 2 1 332.410 3.228 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000565432137 316323903 /nfs/dbraw/zinc/32/39/03/316323903.db2.gz YKPNEAICPIHHHM-INIZCTEOSA-N 2 1 332.410 3.228 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000565432137 316323906 /nfs/dbraw/zinc/32/39/06/316323906.db2.gz YKPNEAICPIHHHM-INIZCTEOSA-N 2 1 332.410 3.228 20 0 EGADMP Cn1cc([C@@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)CC2(C)C)cn1 ZINC000565930260 316389184 /nfs/dbraw/zinc/38/91/84/316389184.db2.gz LKXIKAWAWGEIAR-IBGZPJMESA-N 2 1 335.455 3.231 20 0 EGADMP COC(=O)[C@H](CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC000571160758 317159507 /nfs/dbraw/zinc/15/95/07/317159507.db2.gz WGWUWCPNHXCGQJ-HXUWFJFHSA-N 2 1 346.515 3.386 20 0 EGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000571391508 317192384 /nfs/dbraw/zinc/19/23/84/317192384.db2.gz PBYBSUQAEAOJIT-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000571391508 317192386 /nfs/dbraw/zinc/19/23/86/317192386.db2.gz PBYBSUQAEAOJIT-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000571391508 317192391 /nfs/dbraw/zinc/19/23/91/317192391.db2.gz PBYBSUQAEAOJIT-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP COc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000171305832 323229198 /nfs/dbraw/zinc/22/91/98/323229198.db2.gz HXLHBJREXBJNQA-CALCHBBNSA-N 2 1 332.488 3.016 20 0 EGADMP C[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCC1 ZINC000173916059 323299967 /nfs/dbraw/zinc/29/99/67/323299967.db2.gz WPOOPCYPOYOREX-GOSISDBHSA-N 2 1 349.906 3.077 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCC1 ZINC000173916059 323299969 /nfs/dbraw/zinc/29/99/69/323299969.db2.gz WPOOPCYPOYOREX-GOSISDBHSA-N 2 1 349.906 3.077 20 0 EGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000382731084 324252549 /nfs/dbraw/zinc/25/25/49/324252549.db2.gz BAKFVUDVFUGJOX-HKUYNNGSSA-N 2 1 345.531 3.134 20 0 EGADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)O1 ZINC000383747911 324257797 /nfs/dbraw/zinc/25/77/97/324257797.db2.gz ZCVISPXQAVXIOW-UAFMIMERSA-N 2 1 328.500 3.444 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC(C)(C)c2ncc[nH]2)cc1)C1CC1 ZINC000579364975 325100386 /nfs/dbraw/zinc/10/03/86/325100386.db2.gz IAIYZAGRAKRUNO-UHFFFAOYSA-N 2 1 326.444 3.059 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1ncc(-c3ccc(F)cc3)o1)CC[NH2+]CC2 ZINC000579462454 325113163 /nfs/dbraw/zinc/11/31/63/325113163.db2.gz YXGZFKZAVIHVCW-CQSZACIVSA-N 2 1 329.419 3.445 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCOCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000579865925 325170298 /nfs/dbraw/zinc/17/02/98/325170298.db2.gz CJXDFWSOPBKQCS-CVEARBPZSA-N 2 1 330.394 3.381 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CCCOCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000579865925 325170301 /nfs/dbraw/zinc/17/03/01/325170301.db2.gz CJXDFWSOPBKQCS-CVEARBPZSA-N 2 1 330.394 3.381 20 0 EGADMP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000580483498 325256252 /nfs/dbraw/zinc/25/62/52/325256252.db2.gz HVUQEHUKMVHVNS-LJQANCHMSA-N 2 1 338.499 3.344 20 0 EGADMP CC[C@]1(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CCC[NH2+]1 ZINC000581827339 325391967 /nfs/dbraw/zinc/39/19/67/325391967.db2.gz NAFLGTNFVGEVBQ-YLJYHZDGSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC1CCC(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000582633342 325457112 /nfs/dbraw/zinc/45/71/12/325457112.db2.gz OUVWAYCDVXTPOA-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H](CCn1cccn1)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000157830344 455236974 /nfs/dbraw/zinc/23/69/74/455236974.db2.gz ZXEWYPGHPNGOCX-ROUUACIJSA-N 2 1 326.488 3.477 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccc(Br)c3cccnc23)C[C@H]1C[NH3+] ZINC000631837614 460577738 /nfs/dbraw/zinc/57/77/38/460577738.db2.gz VGRYFCWJUDMVHZ-WCQYABFASA-N 2 1 334.261 3.024 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(Br)c3cccnc23)C[C@H]1C[NH3+] ZINC000631837614 460577740 /nfs/dbraw/zinc/57/77/40/460577740.db2.gz VGRYFCWJUDMVHZ-WCQYABFASA-N 2 1 334.261 3.024 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245575267 455334423 /nfs/dbraw/zinc/33/44/23/455334423.db2.gz HPSHPEBCRNMBCB-BHDDXSALSA-N 3 1 341.543 3.457 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000245575267 455334429 /nfs/dbraw/zinc/33/44/29/455334429.db2.gz HPSHPEBCRNMBCB-BHDDXSALSA-N 3 1 341.543 3.457 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000245575267 455334432 /nfs/dbraw/zinc/33/44/32/455334432.db2.gz HPSHPEBCRNMBCB-BHDDXSALSA-N 3 1 341.543 3.457 20 0 EGADMP Cc1nc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000181412336 455331022 /nfs/dbraw/zinc/33/10/22/455331022.db2.gz STBAXMFSEQFPKI-XKQJLSEDSA-N 2 1 337.533 3.178 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000081631219 453898312 /nfs/dbraw/zinc/89/83/12/453898312.db2.gz GBFZBOBPPFJWDH-MRXNPFEDSA-N 2 1 349.906 3.332 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000081631219 453898316 /nfs/dbraw/zinc/89/83/16/453898316.db2.gz GBFZBOBPPFJWDH-MRXNPFEDSA-N 2 1 349.906 3.332 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000081631219 453898318 /nfs/dbraw/zinc/89/83/18/453898318.db2.gz GBFZBOBPPFJWDH-MRXNPFEDSA-N 2 1 349.906 3.332 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000245996058 455412007 /nfs/dbraw/zinc/41/20/07/455412007.db2.gz IMMNANQXJYACEA-ZPUIDXCVSA-N 2 1 326.843 3.381 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000245996058 455412008 /nfs/dbraw/zinc/41/20/08/455412008.db2.gz IMMNANQXJYACEA-ZPUIDXCVSA-N 2 1 326.843 3.381 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccccn1 ZINC000245940643 455403617 /nfs/dbraw/zinc/40/36/17/455403617.db2.gz QWHSJZZNNFGJJO-IAGOWNOFSA-N 2 1 325.456 3.153 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccccn1 ZINC000245940643 455403622 /nfs/dbraw/zinc/40/36/22/455403622.db2.gz QWHSJZZNNFGJJO-IAGOWNOFSA-N 2 1 325.456 3.153 20 0 EGADMP CCOc1cc(C[NH2+]CCCn2cc[nH+]c2C)ccc1OC(F)F ZINC000069754182 454141132 /nfs/dbraw/zinc/14/11/32/454141132.db2.gz CTOQSUDLQLENGK-UHFFFAOYSA-N 2 1 339.386 3.372 20 0 EGADMP c1sc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1-c1ccncc1 ZINC000089669111 454175419 /nfs/dbraw/zinc/17/54/19/454175419.db2.gz QVOLFPDIGBJKLE-IAGOWNOFSA-N 2 1 342.512 3.354 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000093982177 454181895 /nfs/dbraw/zinc/18/18/95/454181895.db2.gz LWHULOROIZJSBN-LBPRGKRZSA-N 2 1 329.257 3.408 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000093982177 454181901 /nfs/dbraw/zinc/18/19/01/454181901.db2.gz LWHULOROIZJSBN-LBPRGKRZSA-N 2 1 329.257 3.408 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000130805205 454218520 /nfs/dbraw/zinc/21/85/20/454218520.db2.gz WRHKQPCHFREDMW-KRWDZBQOSA-N 2 1 342.487 3.466 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000130805205 454218524 /nfs/dbraw/zinc/21/85/24/454218524.db2.gz WRHKQPCHFREDMW-KRWDZBQOSA-N 2 1 342.487 3.466 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cn1 ZINC000095976399 454246887 /nfs/dbraw/zinc/24/68/87/454246887.db2.gz WDIJUXAZFQWXIM-UHOSZYNNSA-N 2 1 338.455 3.013 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000131665747 454274515 /nfs/dbraw/zinc/27/45/15/454274515.db2.gz USEBYRFJWXXVKP-LPHOPBHVSA-N 2 1 339.439 3.179 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCc3ccccc3)CC2)C[C@H](C)O1 ZINC000060368468 454282821 /nfs/dbraw/zinc/28/28/21/454282821.db2.gz OPEPKKXBBMGAQZ-KDURUIRLSA-N 2 1 330.516 3.440 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000090177946 454289717 /nfs/dbraw/zinc/28/97/17/454289717.db2.gz ZZOQFTABOPRCPO-YOEHRIQHSA-N 2 1 340.471 3.231 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000090234846 454296596 /nfs/dbraw/zinc/29/65/96/454296596.db2.gz ITQQGKVKPYCQIC-NFAWXSAZSA-N 2 1 330.394 3.446 20 0 EGADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000121035498 454381801 /nfs/dbraw/zinc/38/18/01/454381801.db2.gz DIIHIFWHUXNZAT-NQIIRXRSSA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCN(C)[C@H](C)C3)cc2)CC1 ZINC000121035498 454381809 /nfs/dbraw/zinc/38/18/09/454381809.db2.gz DIIHIFWHUXNZAT-NQIIRXRSSA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccc(CN[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000121035498 454381816 /nfs/dbraw/zinc/38/18/16/454381816.db2.gz DIIHIFWHUXNZAT-NQIIRXRSSA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccc(CN[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000121035498 454381822 /nfs/dbraw/zinc/38/18/22/454381822.db2.gz DIIHIFWHUXNZAT-NQIIRXRSSA-N 2 1 329.532 3.491 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCOC[C@@H]2CCCO2)cc1 ZINC000121106924 454391370 /nfs/dbraw/zinc/39/13/70/454391370.db2.gz IJVUNWYWEVJPMO-KXBFYZLASA-N 2 1 329.444 3.027 20 0 EGADMP COc1cccc(C[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C2CC2)c1 ZINC000121274269 454414834 /nfs/dbraw/zinc/41/48/34/454414834.db2.gz FHHNWICPCHUEAY-YWZLYKJASA-N 2 1 327.472 3.447 20 0 EGADMP CCc1ccccc1NC(=O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000047977420 454427347 /nfs/dbraw/zinc/42/73/47/454427347.db2.gz AKXQWHIRRRLVGV-UHFFFAOYSA-N 2 1 331.504 3.241 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000133638500 454449961 /nfs/dbraw/zinc/44/99/61/454449961.db2.gz BCXTUSIMQMMGNE-UMVBOHGHSA-N 2 1 330.394 3.403 20 0 EGADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000091678611 454456877 /nfs/dbraw/zinc/45/68/77/454456877.db2.gz PQJIXJBAGLMACZ-CJNGLKHVSA-N 2 1 326.843 3.274 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000091678611 454456879 /nfs/dbraw/zinc/45/68/79/454456879.db2.gz PQJIXJBAGLMACZ-CJNGLKHVSA-N 2 1 326.843 3.274 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000091678611 454456881 /nfs/dbraw/zinc/45/68/81/454456881.db2.gz PQJIXJBAGLMACZ-CJNGLKHVSA-N 2 1 326.843 3.274 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000091678611 454456883 /nfs/dbraw/zinc/45/68/83/454456883.db2.gz PQJIXJBAGLMACZ-CJNGLKHVSA-N 2 1 326.843 3.274 20 0 EGADMP CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000091686659 454457876 /nfs/dbraw/zinc/45/78/76/454457876.db2.gz PTHSUGJFUZRNPP-YOEHRIQHSA-N 2 1 325.884 3.356 20 0 EGADMP COc1ccc([C@@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)C(C)C)cc1 ZINC000098144145 454461882 /nfs/dbraw/zinc/46/18/82/454461882.db2.gz AHTFYRXEHCZDIJ-QUCCMNQESA-N 2 1 334.504 3.075 20 0 EGADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)o1 ZINC000134046271 454496833 /nfs/dbraw/zinc/49/68/33/454496833.db2.gz SOTCHWZQLDUXLI-OAHLLOKOSA-N 2 1 342.439 3.165 20 0 EGADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)o1 ZINC000134046271 454496837 /nfs/dbraw/zinc/49/68/37/454496837.db2.gz SOTCHWZQLDUXLI-OAHLLOKOSA-N 2 1 342.439 3.165 20 0 EGADMP COCCOc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092066279 454512133 /nfs/dbraw/zinc/51/21/33/454512133.db2.gz ZQEPRWLBBGKUJU-WIYYLYMNSA-N 2 1 344.499 3.161 20 0 EGADMP COCCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000092066279 454512138 /nfs/dbraw/zinc/51/21/38/454512138.db2.gz ZQEPRWLBBGKUJU-WIYYLYMNSA-N 2 1 344.499 3.161 20 0 EGADMP COCCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000092066279 454512142 /nfs/dbraw/zinc/51/21/42/454512142.db2.gz ZQEPRWLBBGKUJU-WIYYLYMNSA-N 2 1 344.499 3.161 20 0 EGADMP CC[C@@]1(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000134563900 454560744 /nfs/dbraw/zinc/56/07/44/454560744.db2.gz NDJKXXIUBMSGEX-UWJYYQICSA-N 2 1 343.515 3.209 20 0 EGADMP COc1ccc(OCCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134902066 454606151 /nfs/dbraw/zinc/60/61/51/454606151.db2.gz MTPWQEKDWGOAIR-UTKZUKDTSA-N 2 1 344.499 3.413 20 0 EGADMP COc1ccc(OCCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134902066 454606156 /nfs/dbraw/zinc/60/61/56/454606156.db2.gz MTPWQEKDWGOAIR-UTKZUKDTSA-N 2 1 344.499 3.413 20 0 EGADMP COc1ccc(OCCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134902066 454606161 /nfs/dbraw/zinc/60/61/61/454606161.db2.gz MTPWQEKDWGOAIR-UTKZUKDTSA-N 2 1 344.499 3.413 20 0 EGADMP COc1ccc(OCCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134902066 454606166 /nfs/dbraw/zinc/60/61/66/454606166.db2.gz MTPWQEKDWGOAIR-UTKZUKDTSA-N 2 1 344.499 3.413 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000104857656 454608249 /nfs/dbraw/zinc/60/82/49/454608249.db2.gz RZWYBHGWUMHYJB-LPHOPBHVSA-N 2 1 342.487 3.027 20 0 EGADMP CC(=O)NCCc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000092752565 454625405 /nfs/dbraw/zinc/62/54/05/454625405.db2.gz LLMABJGYLSOKRY-MRXNPFEDSA-N 2 1 342.487 3.001 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1csc(Br)c1 ZINC000105443092 454639284 /nfs/dbraw/zinc/63/92/84/454639284.db2.gz UZXWGRXSAXQDNB-SNVBAGLBSA-N 2 1 328.279 3.441 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccc(OC)cc3)CCOCC2)[C@H](C)C1 ZINC000152659589 454708090 /nfs/dbraw/zinc/70/80/90/454708090.db2.gz NMINDMZBJUNVNR-XLIONFOSSA-N 2 1 346.515 3.063 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000106868561 454725962 /nfs/dbraw/zinc/72/59/62/454725962.db2.gz TWSALLDGZALKJH-UONOGXRCSA-N 2 1 339.277 3.174 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000106868561 454725967 /nfs/dbraw/zinc/72/59/67/454725967.db2.gz TWSALLDGZALKJH-UONOGXRCSA-N 2 1 339.277 3.174 20 0 EGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000124486482 454739807 /nfs/dbraw/zinc/73/98/07/454739807.db2.gz KMFCUZBSTBHIDW-GOSISDBHSA-N 2 1 347.547 3.398 20 0 EGADMP COc1ccccc1[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000162258800 454763519 /nfs/dbraw/zinc/76/35/19/454763519.db2.gz SJOOHWHFRNAISM-HNNXBMFYSA-N 2 1 340.471 3.422 20 0 EGADMP C[C@@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000153255969 454775724 /nfs/dbraw/zinc/77/57/24/454775724.db2.gz CHEQFLVWPQEIPH-BBWFWOEESA-N 2 1 347.503 3.217 20 0 EGADMP C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000138082897 454788494 /nfs/dbraw/zinc/78/84/94/454788494.db2.gz IRFWHKFXWPWZEU-ROUUACIJSA-N 2 1 326.488 3.293 20 0 EGADMP CN(C[C@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC000153393360 454789253 /nfs/dbraw/zinc/78/92/53/454789253.db2.gz XVDQHIDRLUYFJY-QGZVFWFLSA-N 2 1 339.524 3.051 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000162647294 454790354 /nfs/dbraw/zinc/79/03/54/454790354.db2.gz DVHNCKXPKDNTRC-CBGDNZLLSA-N 2 1 346.515 3.201 20 0 EGADMP CC(C)[C@H](C[NH2+]C1CCN(CC(F)F)CC1)[NH+]1CCC(C)CC1 ZINC000153408211 454790981 /nfs/dbraw/zinc/79/09/81/454790981.db2.gz UBFHEDWEVIITKP-KRWDZBQOSA-N 2 1 331.495 3.062 20 0 EGADMP Cc1nn(C)cc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000162883471 454806745 /nfs/dbraw/zinc/80/67/45/454806745.db2.gz UXMMSQITDOFVAN-UHFFFAOYSA-N 2 1 338.455 3.243 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC1([NH+]2CCSCC2)CCCCC1 ZINC000163032614 454818336 /nfs/dbraw/zinc/81/83/36/454818336.db2.gz RYVMYWNGOSKCAO-FGTMMUONSA-N 2 1 339.593 3.056 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000163032614 454818338 /nfs/dbraw/zinc/81/83/38/454818338.db2.gz RYVMYWNGOSKCAO-FGTMMUONSA-N 2 1 339.593 3.056 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000163032614 454818340 /nfs/dbraw/zinc/81/83/40/454818340.db2.gz RYVMYWNGOSKCAO-FGTMMUONSA-N 2 1 339.593 3.056 20 0 EGADMP c1ccc(CC[NH+]2CCC(N[C@@H]3CC[N@H+](C4CCCC4)C3)CC2)cc1 ZINC000153709292 454823804 /nfs/dbraw/zinc/82/38/04/454823804.db2.gz ZETGZOCGVPFBNU-OAQYLSRUSA-N 2 1 341.543 3.300 20 0 EGADMP C[C@H]1C[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[N@H+]1C1CC1 ZINC000163260499 454834427 /nfs/dbraw/zinc/83/44/27/454834427.db2.gz PDFWAEPOSAEXBH-LCLWPZTBSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[NH+]1C1CC1 ZINC000163260499 454834431 /nfs/dbraw/zinc/83/44/31/454834431.db2.gz PDFWAEPOSAEXBH-LCLWPZTBSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[NH+]1C1CC1 ZINC000163260499 454834435 /nfs/dbraw/zinc/83/44/35/454834435.db2.gz PDFWAEPOSAEXBH-LCLWPZTBSA-N 2 1 327.516 3.254 20 0 EGADMP Cc1nc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000177483422 454869072 /nfs/dbraw/zinc/86/90/72/454869072.db2.gz UIFWAGDMHROPHY-GJZGRUSLSA-N 2 1 337.533 3.163 20 0 EGADMP CC(C)C[N@@H+]1CCO[C@@H](CN[C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000246384275 455481507 /nfs/dbraw/zinc/48/15/07/455481507.db2.gz AFBCIPZELCJBAP-HKUYNNGSSA-N 2 1 344.499 3.379 20 0 EGADMP CC(C)C[N@H+]1CCO[C@@H](CN[C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000246384275 455481510 /nfs/dbraw/zinc/48/15/10/455481510.db2.gz AFBCIPZELCJBAP-HKUYNNGSSA-N 2 1 344.499 3.379 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000164606669 454886142 /nfs/dbraw/zinc/88/61/42/454886142.db2.gz NUECUSDUTCWCLV-UXHICEINSA-N 2 1 345.531 3.441 20 0 EGADMP FC(F)(F)COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000126645326 454908100 /nfs/dbraw/zinc/90/81/00/454908100.db2.gz PIMKWQXFFLKFDP-HUUCEWRRSA-N 2 1 328.378 3.344 20 0 EGADMP FC(F)(F)COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000126645326 454908103 /nfs/dbraw/zinc/90/81/03/454908103.db2.gz PIMKWQXFFLKFDP-HUUCEWRRSA-N 2 1 328.378 3.344 20 0 EGADMP CCOc1c(Cl)cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000126661746 454909670 /nfs/dbraw/zinc/90/96/70/454909670.db2.gz LCFFDSYMIDHFOW-LSDHHAIUSA-N 2 1 338.879 3.464 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000126661746 454909675 /nfs/dbraw/zinc/90/96/75/454909675.db2.gz LCFFDSYMIDHFOW-LSDHHAIUSA-N 2 1 338.879 3.464 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000126661746 454909677 /nfs/dbraw/zinc/90/96/77/454909677.db2.gz LCFFDSYMIDHFOW-LSDHHAIUSA-N 2 1 338.879 3.464 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2C)[C@H](C)C1 ZINC000166885519 454916183 /nfs/dbraw/zinc/91/61/83/454916183.db2.gz DRFAARHYGATEGQ-XLIONFOSSA-N 2 1 336.495 3.403 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000155061003 454958778 /nfs/dbraw/zinc/95/87/78/454958778.db2.gz KGODOHXWDQUZNY-AABGKKOBSA-N 2 1 343.515 3.012 20 0 EGADMP CCCOc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000178779956 454976750 /nfs/dbraw/zinc/97/67/50/454976750.db2.gz KMIPYSHHIFSFGI-SFHVURJKSA-N 2 1 333.520 3.154 20 0 EGADMP FC(F)(F)c1cccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000178954786 454993703 /nfs/dbraw/zinc/99/37/03/454993703.db2.gz DECWWMSTUYZVEK-HUUCEWRRSA-N 2 1 328.378 3.301 20 0 EGADMP OCCC[N@H+](Cc1ccc(Cl)c(Cl)c1)CC1CC[NH2+]CC1 ZINC000178964046 454994249 /nfs/dbraw/zinc/99/42/49/454994249.db2.gz HGMKQWQGXWJYCK-UHFFFAOYSA-N 2 1 331.287 3.177 20 0 EGADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000151972534 455056541 /nfs/dbraw/zinc/05/65/41/455056541.db2.gz VBHVMQJFTJJFST-PMACEKPBSA-N 2 1 339.483 3.229 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000600964421 460659784 /nfs/dbraw/zinc/65/97/84/460659784.db2.gz KMTCINVCOBLHEJ-LJQANCHMSA-N 2 1 329.488 3.138 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000600964421 460659787 /nfs/dbraw/zinc/65/97/87/460659787.db2.gz KMTCINVCOBLHEJ-LJQANCHMSA-N 2 1 329.488 3.138 20 0 EGADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)CCCO2 ZINC000128558915 455067579 /nfs/dbraw/zinc/06/75/79/455067579.db2.gz COZHEMVAMUAIDA-FQEVSTJZSA-N 2 1 345.531 3.134 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000156068085 455078210 /nfs/dbraw/zinc/07/82/10/455078210.db2.gz ZQBHAXGZQUDLRW-IBGZPJMESA-N 2 1 331.504 3.133 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)N1CCCC[C@H]1C ZINC000156213581 455094244 /nfs/dbraw/zinc/09/42/44/455094244.db2.gz FQQJMILKUZQYRT-IAGOWNOFSA-N 2 1 335.536 3.163 20 0 EGADMP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cnn1-c1ccc(F)cc1 ZINC000152481365 455125784 /nfs/dbraw/zinc/12/57/84/455125784.db2.gz DOAILKOSDVHMHN-GOEBONIOSA-N 2 1 342.462 3.455 20 0 EGADMP CC(C)[NH+]1CCC([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000180459049 455173742 /nfs/dbraw/zinc/17/37/42/455173742.db2.gz GPZISTSVZIPRCD-HNNXBMFYSA-N 2 1 331.287 3.489 20 0 EGADMP C[C@H](C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000237497103 455190459 /nfs/dbraw/zinc/19/04/59/455190459.db2.gz RLIXJPPIPBIJLG-JENIJYKNSA-N 2 1 331.504 3.093 20 0 EGADMP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000173616176 455316652 /nfs/dbraw/zinc/31/66/52/455316652.db2.gz ISLIZUYGOPVZMQ-DLBZAZTESA-N 2 1 345.531 3.277 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000245525774 455320427 /nfs/dbraw/zinc/32/04/27/455320427.db2.gz AEGSBLWSNIJUCC-XYTVBORESA-N 2 1 339.524 3.237 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000245525774 455320434 /nfs/dbraw/zinc/32/04/34/455320434.db2.gz AEGSBLWSNIJUCC-XYTVBORESA-N 2 1 339.524 3.237 20 0 EGADMP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158971845 455341709 /nfs/dbraw/zinc/34/17/09/455341709.db2.gz ATXKODODGAVGKS-IRXDYDNUSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@H](C)N2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000245717529 455362726 /nfs/dbraw/zinc/36/27/26/455362726.db2.gz UGTXIZRSHYNQMF-ZIFCJYIRSA-N 2 1 340.471 3.410 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C12CCC2 ZINC000181682094 455372273 /nfs/dbraw/zinc/37/22/73/455372273.db2.gz CZNRNAHILJYGBH-PWRODBHTSA-N 2 1 342.527 3.488 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000245868140 455388836 /nfs/dbraw/zinc/38/88/36/455388836.db2.gz KKJMRQZIUZATRW-IXDOHACOSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1n1ccnc1 ZINC000246196773 455446229 /nfs/dbraw/zinc/44/62/29/455446229.db2.gz LQDLNOQNUTYUAH-KBXCAEBGSA-N 2 1 339.418 3.495 20 0 EGADMP CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccn1 ZINC000182267308 455476453 /nfs/dbraw/zinc/47/64/53/455476453.db2.gz KNTYBRSABASAHA-PMACEKPBSA-N 2 1 339.483 3.279 20 0 EGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000246452009 455492235 /nfs/dbraw/zinc/49/22/35/455492235.db2.gz PGUHGWCJLSEQCK-FFZOFVMBSA-N 2 1 346.515 3.422 20 0 EGADMP COc1ccc(OCCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246800141 455525331 /nfs/dbraw/zinc/52/53/31/455525331.db2.gz MTPWQEKDWGOAIR-UWJYYQICSA-N 2 1 344.499 3.413 20 0 EGADMP COc1ccc(OCCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246800141 455525335 /nfs/dbraw/zinc/52/53/35/455525335.db2.gz MTPWQEKDWGOAIR-UWJYYQICSA-N 2 1 344.499 3.413 20 0 EGADMP COc1ccc(OCCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246800141 455525344 /nfs/dbraw/zinc/52/53/44/455525344.db2.gz MTPWQEKDWGOAIR-UWJYYQICSA-N 2 1 344.499 3.413 20 0 EGADMP COc1ccc(OCCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246800141 455525345 /nfs/dbraw/zinc/52/53/45/455525345.db2.gz MTPWQEKDWGOAIR-UWJYYQICSA-N 2 1 344.499 3.413 20 0 EGADMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000192009415 455541493 /nfs/dbraw/zinc/54/14/93/455541493.db2.gz YMRJNGDIIXDISD-FUHWJXTLSA-N 2 1 338.455 3.036 20 0 EGADMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000192009415 455541498 /nfs/dbraw/zinc/54/14/98/455541498.db2.gz YMRJNGDIIXDISD-FUHWJXTLSA-N 2 1 338.455 3.036 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2cccc(C)c2)[C@@H](C)C1 ZINC000247018795 455544855 /nfs/dbraw/zinc/54/48/55/455544855.db2.gz LRSAFFAMMSSSHL-AZUAARDMSA-N 2 1 334.504 3.100 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000192073984 455552899 /nfs/dbraw/zinc/55/28/99/455552899.db2.gz GZELTQJUKYRTCJ-MJGOQNOKSA-N 2 1 348.531 3.449 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc(OC)cc3)CCOCC2)[C@@H](C)C1 ZINC000247055972 455553258 /nfs/dbraw/zinc/55/32/58/455553258.db2.gz NMINDMZBJUNVNR-FXAWDEMLSA-N 2 1 346.515 3.063 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000247127491 455564410 /nfs/dbraw/zinc/56/44/10/455564410.db2.gz RNEWWALFUONOAF-MSOLQXFVSA-N 3 1 333.520 3.010 20 0 EGADMP CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000247127491 455564412 /nfs/dbraw/zinc/56/44/12/455564412.db2.gz RNEWWALFUONOAF-MSOLQXFVSA-N 2 1 333.520 3.010 20 0 EGADMP CCC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000247127491 455564414 /nfs/dbraw/zinc/56/44/14/455564414.db2.gz RNEWWALFUONOAF-MSOLQXFVSA-N 2 1 333.520 3.010 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000247217692 455574326 /nfs/dbraw/zinc/57/43/26/455574326.db2.gz XMIXINMWPJWKNA-UXHICEINSA-N 2 1 343.515 3.156 20 0 EGADMP C[C@H]([NH2+]CCC(=O)OCc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185716744 455605252 /nfs/dbraw/zinc/60/52/52/455605252.db2.gz XLDUBQFHESVQAE-PKOBYXMFSA-N 2 1 344.499 3.363 20 0 EGADMP C[C@H]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185764092 455617882 /nfs/dbraw/zinc/61/78/82/455617882.db2.gz FHWPUVQOXOIPLT-XYJFISCASA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185764092 455617889 /nfs/dbraw/zinc/61/78/89/455617889.db2.gz FHWPUVQOXOIPLT-XYJFISCASA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)CO[C@@H]1CC[NH+](C[C@@H](C)C[N@@H+]2CC[C@H](OCC(C)C)C2)C1 ZINC000247670688 455636274 /nfs/dbraw/zinc/63/62/74/455636274.db2.gz QVNZTUWBIIZXPT-OWZKRDHZSA-N 2 1 340.552 3.116 20 0 EGADMP CC(C)CO[C@@H]1CC[N@@H+](C[C@@H](C)C[NH+]2CC[C@H](OCC(C)C)C2)C1 ZINC000247670688 455636279 /nfs/dbraw/zinc/63/62/79/455636279.db2.gz QVNZTUWBIIZXPT-OWZKRDHZSA-N 2 1 340.552 3.116 20 0 EGADMP CC(C)CO[C@@H]1CC[N@H+](C[C@@H](C)C[NH+]2CC[C@H](OCC(C)C)C2)C1 ZINC000247670688 455636281 /nfs/dbraw/zinc/63/62/81/455636281.db2.gz QVNZTUWBIIZXPT-OWZKRDHZSA-N 2 1 340.552 3.116 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc(F)c(F)c(F)c1 ZINC000271500680 455661075 /nfs/dbraw/zinc/66/10/75/455661075.db2.gz LWFOHIJMCFVNDX-YMRXKLBXSA-N 2 1 342.405 3.132 20 0 EGADMP c1csc(CCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000271501469 455662699 /nfs/dbraw/zinc/66/26/99/455662699.db2.gz NEPMYUNNYNDCCO-UHFFFAOYSA-N 2 1 329.513 3.372 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000248025861 455672132 /nfs/dbraw/zinc/67/21/32/455672132.db2.gz OZZGCGKUYLXBBK-WHSLLNHNSA-N 2 1 340.515 3.367 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000248025861 455672133 /nfs/dbraw/zinc/67/21/33/455672133.db2.gz OZZGCGKUYLXBBK-WHSLLNHNSA-N 2 1 340.515 3.367 20 0 EGADMP CCCCOc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000284555871 455705029 /nfs/dbraw/zinc/70/50/29/455705029.db2.gz YCXFWHHQSZULRR-KRWDZBQOSA-N 2 1 334.504 3.363 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268892358 455721002 /nfs/dbraw/zinc/72/10/02/455721002.db2.gz PGTBBJVXYGKSSV-RTBURBONSA-N 2 1 345.531 3.294 20 0 EGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC000635141457 460688637 /nfs/dbraw/zinc/68/86/37/460688637.db2.gz SHDCKOHBFZLMRZ-UHFFFAOYSA-N 2 1 342.487 3.165 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000271758412 455749526 /nfs/dbraw/zinc/74/95/26/455749526.db2.gz ZDCTZEZDZOWCSV-UXHICEINSA-N 2 1 341.503 3.028 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCC4OCCCO4)CC[C@H]32)cc1 ZINC000268975824 455750462 /nfs/dbraw/zinc/75/04/62/455750462.db2.gz JDBKGKSEYKCGSN-WOJBJXKFSA-N 2 1 344.499 3.126 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCC4OCCCO4)CC[C@H]32)cc1 ZINC000268975824 455750469 /nfs/dbraw/zinc/75/04/69/455750469.db2.gz JDBKGKSEYKCGSN-WOJBJXKFSA-N 2 1 344.499 3.126 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCC4OCCCO4)CC[C@H]32)cc1 ZINC000268975824 455750472 /nfs/dbraw/zinc/75/04/72/455750472.db2.gz JDBKGKSEYKCGSN-WOJBJXKFSA-N 2 1 344.499 3.126 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@]2([NH+](C)C)CCSC2)CC[N@H+]1Cc1ccccc1 ZINC000268983909 455752489 /nfs/dbraw/zinc/75/24/89/455752489.db2.gz PRZANEUUQHZIKS-HOJAQTOUSA-N 2 1 347.572 3.066 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(N(C)C)CCSC2)CC[N@H+]1Cc1ccccc1 ZINC000268983909 455752502 /nfs/dbraw/zinc/75/25/02/455752502.db2.gz PRZANEUUQHZIKS-HOJAQTOUSA-N 2 1 347.572 3.066 20 0 EGADMP Cc1cc(NC[C@@H]2CCC[N@@H+](C3CC3)[C@H]2c2ccnn2C)cc[nH+]1 ZINC000284883045 455756322 /nfs/dbraw/zinc/75/63/22/455756322.db2.gz NKNZXRDYCUKYII-HNAYVOBHSA-N 2 1 325.460 3.151 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)OC(C)C ZINC000186378714 455756637 /nfs/dbraw/zinc/75/66/37/455756637.db2.gz XGECIARYQNGERZ-HBXLWWENSA-N 2 1 334.504 3.480 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C[C@@H]3CCC=CO3)cc2)C[C@H](C)O1 ZINC000194193490 455814194 /nfs/dbraw/zinc/81/41/94/455814194.db2.gz DYSRMNBPRSBIPM-QKLQHJQFSA-N 2 1 330.472 3.078 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(O)c1 ZINC000194864860 455893208 /nfs/dbraw/zinc/89/32/08/455893208.db2.gz KYNHFDLNZNHZHL-SJORKVTESA-N 2 1 340.467 3.464 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(O)c1 ZINC000194864860 455893217 /nfs/dbraw/zinc/89/32/17/455893217.db2.gz KYNHFDLNZNHZHL-SJORKVTESA-N 2 1 340.467 3.464 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(O)c1 ZINC000194864874 455893666 /nfs/dbraw/zinc/89/36/66/455893666.db2.gz KYNHFDLNZNHZHL-IRXDYDNUSA-N 2 1 340.467 3.464 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(O)c1 ZINC000194864874 455893670 /nfs/dbraw/zinc/89/36/70/455893670.db2.gz KYNHFDLNZNHZHL-IRXDYDNUSA-N 2 1 340.467 3.464 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N2CCCOC2=O)cc1 ZINC000296267035 455895847 /nfs/dbraw/zinc/89/58/47/455895847.db2.gz DMKFJWKMHSZALM-DJXYKJKZSA-N 2 1 343.471 3.309 20 0 EGADMP CC[C@H](C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000272324521 455914435 /nfs/dbraw/zinc/91/44/35/455914435.db2.gz UYSYAEIVAQFECK-YZGWKJHDSA-N 2 1 345.531 3.134 20 0 EGADMP COc1ccc(C[N@H+](CCCn2cc[nH+]c2C)[C@H](CO)C(C)C)cc1 ZINC000272337314 455918833 /nfs/dbraw/zinc/91/88/33/455918833.db2.gz XSCQDFINCDGHKV-HXUWFJFHSA-N 2 1 345.487 3.109 20 0 EGADMP COc1ccc(C[N@@H+](CCCn2cc[nH+]c2C)[C@H](CO)C(C)C)cc1 ZINC000272337314 455918840 /nfs/dbraw/zinc/91/88/40/455918840.db2.gz XSCQDFINCDGHKV-HXUWFJFHSA-N 2 1 345.487 3.109 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000272407649 455940384 /nfs/dbraw/zinc/94/03/84/455940384.db2.gz FINVARYVADGKOT-UHFFFAOYSA-N 2 1 341.381 3.134 20 0 EGADMP C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000187705385 455941921 /nfs/dbraw/zinc/94/19/21/455941921.db2.gz AEXOWYNCBLKWAU-KRWDZBQOSA-N 2 1 342.458 3.379 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000261790110 455948605 /nfs/dbraw/zinc/94/86/05/455948605.db2.gz KXQIAWRMMPWUMJ-GDBMZVCRSA-N 2 1 337.533 3.012 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000187756459 455949078 /nfs/dbraw/zinc/94/90/78/455949078.db2.gz FDDVVAIZSRKZII-WRQOLXDDSA-N 2 1 339.524 3.093 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])cc2)C1 ZINC000261835072 455956038 /nfs/dbraw/zinc/95/60/38/455956038.db2.gz UMUSBXJXGVPDON-SZVBFZGTSA-N 2 1 329.488 3.232 20 0 EGADMP [NH3+]C1(c2noc([C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)n2)CCCC1 ZINC000261901586 455968370 /nfs/dbraw/zinc/96/83/70/455968370.db2.gz YPIPHQVJHCJGRG-HNNXBMFYSA-N 2 1 344.434 3.316 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272491078 455969638 /nfs/dbraw/zinc/96/96/38/455969638.db2.gz NAYHOFXEICRHSI-LDQXTDLNSA-N 2 1 342.458 3.359 20 0 EGADMP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000195526830 455979847 /nfs/dbraw/zinc/97/98/47/455979847.db2.gz ZCVHOYCBWXYCMF-KSZLIROESA-N 2 1 343.515 3.160 20 0 EGADMP COc1c(O)cccc1CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272612922 456013635 /nfs/dbraw/zinc/01/36/35/456013635.db2.gz KSYSOSBDPIMHFC-LPHOPBHVSA-N 2 1 340.467 3.401 20 0 EGADMP COc1c(O)cccc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272612922 456013639 /nfs/dbraw/zinc/01/36/39/456013639.db2.gz KSYSOSBDPIMHFC-LPHOPBHVSA-N 2 1 340.467 3.401 20 0 EGADMP COc1c(O)cccc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272612922 456013643 /nfs/dbraw/zinc/01/36/43/456013643.db2.gz KSYSOSBDPIMHFC-LPHOPBHVSA-N 2 1 340.467 3.401 20 0 EGADMP COC(=O)c1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1Cl ZINC000296747663 456028087 /nfs/dbraw/zinc/02/80/87/456028087.db2.gz PLQKDXIRZYQVMC-SFHVURJKSA-N 2 1 336.863 3.044 20 0 EGADMP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCCCC1 ZINC000216436495 456029996 /nfs/dbraw/zinc/02/99/96/456029996.db2.gz JJQPTJQBANJINI-LJQANCHMSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H](C)C2CC[NH2+]CC2)C1 ZINC000262666029 456052143 /nfs/dbraw/zinc/05/21/43/456052143.db2.gz KDMDKCGTDOJITB-IRXDYDNUSA-N 2 1 337.552 3.029 20 0 EGADMP Cc1cc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)cn2cc[nH+]c12 ZINC000296869680 456056942 /nfs/dbraw/zinc/05/69/42/456056942.db2.gz LRHSPKJMVGHQJJ-UHFFFAOYSA-N 2 1 343.475 3.228 20 0 EGADMP C[C@@H]([NH2+]CCOc1ncccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272810956 456076729 /nfs/dbraw/zinc/07/67/29/456076729.db2.gz NKKNEMPTJJWKDS-AEFFLSMTSA-N 2 1 343.446 3.100 20 0 EGADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCc3nc4ccccc4n3C)C2)[nH+]1 ZINC000225403266 456080173 /nfs/dbraw/zinc/08/01/73/456080173.db2.gz CYMCOPFKVZQTGR-KRWDZBQOSA-N 2 1 349.482 3.253 20 0 EGADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCc3nc4ccccc4n3C)C2)[nH+]1 ZINC000225403266 456080174 /nfs/dbraw/zinc/08/01/74/456080174.db2.gz CYMCOPFKVZQTGR-KRWDZBQOSA-N 2 1 349.482 3.253 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCO[C@@H]2CCOC2)CC1 ZINC000281035097 456116423 /nfs/dbraw/zinc/11/64/23/456116423.db2.gz PNMVOLYBBHTXFA-XVAXZDLZSA-N 2 1 346.515 3.215 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000236684762 456168793 /nfs/dbraw/zinc/16/87/93/456168793.db2.gz KZEVHNRPUCPTBN-QGZVFWFLSA-N 2 1 345.531 3.300 20 0 EGADMP CC(C)(C)c1nc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cs1 ZINC000333179999 456173601 /nfs/dbraw/zinc/17/36/01/456173601.db2.gz RSHPTKOLSPWPCT-CVEARBPZSA-N 2 1 337.533 3.159 20 0 EGADMP Cc1cn[nH]c1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000289948450 456192310 /nfs/dbraw/zinc/19/23/10/456192310.db2.gz QASKXEAAPALPAM-HOTGVXAUSA-N 2 1 326.488 3.486 20 0 EGADMP Cc1c[nH]nc1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000289948450 456192315 /nfs/dbraw/zinc/19/23/15/456192315.db2.gz QASKXEAAPALPAM-HOTGVXAUSA-N 2 1 326.488 3.486 20 0 EGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1([NH3+])CCCCC1 ZINC000236903100 456199025 /nfs/dbraw/zinc/19/90/25/456199025.db2.gz AHFCPSRBMNKKHU-IBGZPJMESA-N 2 1 343.515 3.019 20 0 EGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CC(C)(C)C ZINC000263718946 456200810 /nfs/dbraw/zinc/20/08/10/456200810.db2.gz AXYQOINDKGCWJO-QGZVFWFLSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H](CCCCO)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000273186289 456206298 /nfs/dbraw/zinc/20/62/98/456206298.db2.gz GAGGMJFQFQFBNX-BVOGOJNSSA-N 2 1 330.516 3.428 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1)C(C)C ZINC000236994745 456216458 /nfs/dbraw/zinc/21/64/58/456216458.db2.gz BQKYGRIMRFHPGV-KRWDZBQOSA-N 2 1 331.504 3.036 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCOCC(F)F)CC1 ZINC000189068231 456217094 /nfs/dbraw/zinc/21/70/94/456217094.db2.gz AOAXEELIGSVAJP-UHFFFAOYSA-N 2 1 326.431 3.112 20 0 EGADMP COc1cncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000290018544 456217854 /nfs/dbraw/zinc/21/78/54/456217854.db2.gz SPZASEYKCOQXIV-UZLBHIALSA-N 2 1 325.456 3.090 20 0 EGADMP COc1cncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000290018544 456217862 /nfs/dbraw/zinc/21/78/62/456217862.db2.gz SPZASEYKCOQXIV-UZLBHIALSA-N 2 1 325.456 3.090 20 0 EGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000281432488 456232785 /nfs/dbraw/zinc/23/27/85/456232785.db2.gz CGFTYQFVFPFAFB-CQSZACIVSA-N 2 1 344.421 3.337 20 0 EGADMP CCC[C@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@@H+]1CCOC ZINC000301914012 456249458 /nfs/dbraw/zinc/24/94/58/456249458.db2.gz HXGAXERULITQNZ-INIZCTEOSA-N 2 1 331.435 3.311 20 0 EGADMP CCC[C@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@H+]1CCOC ZINC000301914012 456249463 /nfs/dbraw/zinc/24/94/63/456249463.db2.gz HXGAXERULITQNZ-INIZCTEOSA-N 2 1 331.435 3.311 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@]1(C)CCCO1 ZINC000340200491 456310083 /nfs/dbraw/zinc/31/00/83/456310083.db2.gz WAPBQPDTDOFFFM-IIMDRIAPSA-N 2 1 346.515 3.343 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@H]4CCCOC4)CC[C@@H]32)cc1 ZINC000342924131 456317411 /nfs/dbraw/zinc/31/74/11/456317411.db2.gz CVFWBXNFRGIYGP-NJYVYQBISA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@H]4CCCOC4)CC[C@@H]32)cc1 ZINC000342924131 456317414 /nfs/dbraw/zinc/31/74/14/456317414.db2.gz CVFWBXNFRGIYGP-NJYVYQBISA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@H]4CCCOC4)CC[C@@H]32)cc1 ZINC000342924131 456317419 /nfs/dbraw/zinc/31/74/19/456317419.db2.gz CVFWBXNFRGIYGP-NJYVYQBISA-N 2 1 328.500 3.400 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccccc2)C[C@@H]1C ZINC000342935904 456324376 /nfs/dbraw/zinc/32/43/76/456324376.db2.gz CBSVGIWEKHYOAG-LPHOPBHVSA-N 2 1 326.488 3.392 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccccc2)C[C@@H]1C ZINC000342935904 456324380 /nfs/dbraw/zinc/32/43/80/456324380.db2.gz CBSVGIWEKHYOAG-LPHOPBHVSA-N 2 1 326.488 3.392 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccccc2)C[C@@H]1C ZINC000342935904 456324384 /nfs/dbraw/zinc/32/43/84/456324384.db2.gz CBSVGIWEKHYOAG-LPHOPBHVSA-N 2 1 326.488 3.392 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccccc2)C[C@@H]1C ZINC000342935904 456324386 /nfs/dbraw/zinc/32/43/86/456324386.db2.gz CBSVGIWEKHYOAG-LPHOPBHVSA-N 2 1 326.488 3.392 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C(C)(C)OC)CC2)cs1 ZINC000340240003 456334733 /nfs/dbraw/zinc/33/47/33/456334733.db2.gz PSZWNCZBIQSACI-AWEZNQCLSA-N 2 1 339.549 3.321 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(-n3cncn3)c2)C[C@H]1c1ccccc1 ZINC000340243574 456336481 /nfs/dbraw/zinc/33/64/81/456336481.db2.gz HHQOZVNDTKIMKI-CTNGQTDRSA-N 2 1 347.466 3.192 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(-n3cncn3)c2)C[C@H]1c1ccccc1 ZINC000340243574 456336486 /nfs/dbraw/zinc/33/64/86/456336486.db2.gz HHQOZVNDTKIMKI-CTNGQTDRSA-N 2 1 347.466 3.192 20 0 EGADMP C[C@H](O)c1ncc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000290471388 456337406 /nfs/dbraw/zinc/33/74/06/456337406.db2.gz UTUBDTIDGHNACI-YQQAZPJKSA-N 2 1 345.512 3.197 20 0 EGADMP C[C@H](O)c1ncc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000290471388 456337413 /nfs/dbraw/zinc/33/74/13/456337413.db2.gz UTUBDTIDGHNACI-YQQAZPJKSA-N 2 1 345.512 3.197 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c(C4CC4)nc4sccn34)C2)CC1 ZINC000290484532 456340931 /nfs/dbraw/zinc/34/09/31/456340931.db2.gz OEBNQVILGIOKEU-INIZCTEOSA-N 2 1 344.528 3.437 20 0 EGADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000347744125 456343797 /nfs/dbraw/zinc/34/37/97/456343797.db2.gz RJQQORZSXRWWCV-GHTZIAJQSA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@H+]1C[C@H](C)[C@H](NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000347744125 456343802 /nfs/dbraw/zinc/34/38/02/456343802.db2.gz RJQQORZSXRWWCV-GHTZIAJQSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@H]3CCC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000340276534 456356163 /nfs/dbraw/zinc/35/61/63/456356163.db2.gz GGXYSTUQIUJZKK-UXLLHSPISA-N 2 1 330.463 3.243 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cscc1C(F)(F)F ZINC000352854657 456367150 /nfs/dbraw/zinc/36/71/50/456367150.db2.gz RECOXAJMVYHQCQ-ZDUSSCGKSA-N 2 1 336.423 3.093 20 0 EGADMP CC[NH+](CC)[C@@H](CN[C@H]1C[N@H+](CC)C[C@@H]1C)c1cccc(OC)c1 ZINC000343051768 456372298 /nfs/dbraw/zinc/37/22/98/456372298.db2.gz SDLRLNPYXPGHAV-VDGAXYAQSA-N 2 1 333.520 3.008 20 0 EGADMP CC[NH+](CC)[C@@H](CN[C@H]1C[N@@H+](CC)C[C@@H]1C)c1cccc(OC)c1 ZINC000343051768 456372306 /nfs/dbraw/zinc/37/23/06/456372306.db2.gz SDLRLNPYXPGHAV-VDGAXYAQSA-N 2 1 333.520 3.008 20 0 EGADMP CSc1ccccc1C[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000281973459 456377579 /nfs/dbraw/zinc/37/75/79/456377579.db2.gz HAKSQFQEPNUPAC-UHFFFAOYSA-N 2 1 335.561 3.256 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000340350019 456406848 /nfs/dbraw/zinc/40/68/48/456406848.db2.gz KUYSLCWUGSEWKG-PMACEKPBSA-N 2 1 328.500 3.456 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H]1SC ZINC000298269733 456411134 /nfs/dbraw/zinc/41/11/34/456411134.db2.gz GFLSOZNYDYVMPW-VNTMZGSJSA-N 2 1 348.556 3.050 20 0 EGADMP COc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC(F)F ZINC000298304302 456420089 /nfs/dbraw/zinc/42/00/89/456420089.db2.gz HQWKOACTJHOVBM-UHFFFAOYSA-N 2 1 340.414 3.056 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000340410964 456444220 /nfs/dbraw/zinc/44/42/20/456444220.db2.gz NWSQHUCXZGJJCN-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000340410964 456444226 /nfs/dbraw/zinc/44/42/26/456444226.db2.gz NWSQHUCXZGJJCN-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1nccc2ccccc21 ZINC000290849435 456446355 /nfs/dbraw/zinc/44/63/55/456446355.db2.gz ZIVFCMKMOOGPRQ-BEVDRBHNSA-N 2 1 339.483 3.263 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1c[nH]c2nccnc12 ZINC000290858826 456449349 /nfs/dbraw/zinc/44/93/49/456449349.db2.gz KHPQOYAORRJJOV-MNZLEMJZSA-N 2 1 349.482 3.204 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cc[nH]c(=O)c1 ZINC000340448851 456468433 /nfs/dbraw/zinc/46/84/33/456468433.db2.gz PVKNWYHPLGGOMZ-KCUHQSDYSA-N 2 1 337.467 3.348 20 0 EGADMP c1nc(SC2CCCC2)ncc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340519222 456505728 /nfs/dbraw/zinc/50/57/28/456505728.db2.gz VIYCLXWCDZIVBC-DLBZAZTESA-N 2 1 346.544 3.270 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1-c1ccnn1C ZINC000353126970 456508186 /nfs/dbraw/zinc/50/81/86/456508186.db2.gz NWWMGYDMFDPPSR-GOSISDBHSA-N 2 1 326.488 3.360 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1-c1ccnn1C ZINC000353126970 456508191 /nfs/dbraw/zinc/50/81/91/456508191.db2.gz NWWMGYDMFDPPSR-GOSISDBHSA-N 2 1 326.488 3.360 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1(C)C ZINC000282498956 456533468 /nfs/dbraw/zinc/53/34/68/456533468.db2.gz YAELPRAJJNNSMI-RTBURBONSA-N 2 1 333.495 3.077 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCCC[NH+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000340592424 456553326 /nfs/dbraw/zinc/55/33/26/456553326.db2.gz CCTXFAOQIZSPGM-UYAOXDASSA-N 2 1 345.531 3.308 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000340592424 456553331 /nfs/dbraw/zinc/55/33/31/456553331.db2.gz CCTXFAOQIZSPGM-UYAOXDASSA-N 2 1 345.531 3.308 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000340592424 456553337 /nfs/dbraw/zinc/55/33/37/456553337.db2.gz CCTXFAOQIZSPGM-UYAOXDASSA-N 2 1 345.531 3.308 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310016804 456577528 /nfs/dbraw/zinc/57/75/28/456577528.db2.gz CFFZQJYQSDDMIJ-LUKYLMHMSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310016804 456577537 /nfs/dbraw/zinc/57/75/37/456577537.db2.gz CFFZQJYQSDDMIJ-LUKYLMHMSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310016805 456578905 /nfs/dbraw/zinc/57/89/05/456578905.db2.gz CFFZQJYQSDDMIJ-MWDXBVQZSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310016805 456578907 /nfs/dbraw/zinc/57/89/07/456578907.db2.gz CFFZQJYQSDDMIJ-MWDXBVQZSA-N 2 1 339.524 3.094 20 0 EGADMP Cc1cc([C@H](C)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000282754911 456615527 /nfs/dbraw/zinc/61/55/27/456615527.db2.gz NYDVZZWEKNESDL-ZIFCJYIRSA-N 2 1 326.488 3.290 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]CC(C)(C)C[NH+]3CCCC3)c(C)n2n1 ZINC000276937337 456624312 /nfs/dbraw/zinc/62/43/12/456624312.db2.gz TWGPLYQTTDJHBL-OAHLLOKOSA-N 2 1 329.492 3.119 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]3CCCF)cc2)CC1 ZINC000337993701 456642839 /nfs/dbraw/zinc/64/28/39/456642839.db2.gz SPCOEKDYQBREOT-SFTDATJTSA-N 2 1 347.522 3.442 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(-c2cnn(C)c2)c1 ZINC000282853766 456646686 /nfs/dbraw/zinc/64/66/86/456646686.db2.gz TVKCZIINEGPQMD-WIYYLYMNSA-N 2 1 338.499 3.312 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(-c2cnn(C)c2)c1 ZINC000282853766 456646692 /nfs/dbraw/zinc/64/66/92/456646692.db2.gz TVKCZIINEGPQMD-WIYYLYMNSA-N 2 1 338.499 3.312 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(-c2cnn(C)c2)c1 ZINC000282853766 456646694 /nfs/dbraw/zinc/64/66/94/456646694.db2.gz TVKCZIINEGPQMD-WIYYLYMNSA-N 2 1 338.499 3.312 20 0 EGADMP C[C@@H](c1ccc(F)cc1F)N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343771663 456772220 /nfs/dbraw/zinc/77/22/20/456772220.db2.gz RGGBMGAIEPYELD-GJZGRUSLSA-N 2 1 337.458 3.126 20 0 EGADMP C[C@@H](c1ccc(F)cc1F)N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343771663 456772223 /nfs/dbraw/zinc/77/22/23/456772223.db2.gz RGGBMGAIEPYELD-GJZGRUSLSA-N 2 1 337.458 3.126 20 0 EGADMP CC(C)n1nccc1[C@H]1OCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000344250238 456810468 /nfs/dbraw/zinc/81/04/68/456810468.db2.gz HWBRQRAGDTWDSO-AEFFLSMTSA-N 2 1 334.508 3.147 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000291969400 456814310 /nfs/dbraw/zinc/81/43/10/456814310.db2.gz RYXNYDIPMPWCJQ-UAGQMJEPSA-N 2 1 342.405 3.155 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H](O)c3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000291969400 456814316 /nfs/dbraw/zinc/81/43/16/456814316.db2.gz RYXNYDIPMPWCJQ-UAGQMJEPSA-N 2 1 342.405 3.155 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000277473561 456837048 /nfs/dbraw/zinc/83/70/48/456837048.db2.gz MFASFZYDXPYEFO-KRWDZBQOSA-N 2 1 326.444 3.185 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000277473561 456837051 /nfs/dbraw/zinc/83/70/51/456837051.db2.gz MFASFZYDXPYEFO-KRWDZBQOSA-N 2 1 326.444 3.185 20 0 EGADMP Cc1cc(NC2CCN(Cc3ccc(F)cc3)CC2)nc(C2CC2)n1 ZINC000341516104 456873082 /nfs/dbraw/zinc/87/30/82/456873082.db2.gz OXENEOOEWASWBV-UHFFFAOYSA-N 2 1 340.446 3.300 20 0 EGADMP C[N@H+]1CC[C@@]2(CCN(Cc3csc(-c4ccc(F)cc4)n3)C2)C1 ZINC000292189244 456880380 /nfs/dbraw/zinc/88/03/80/456880380.db2.gz RERYFJSWBLHRHX-GOSISDBHSA-N 2 1 331.460 3.477 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1C ZINC000353754161 456890795 /nfs/dbraw/zinc/89/07/95/456890795.db2.gz YJNWZRYLXAIXOW-UKRRQHHQSA-N 2 1 338.879 3.416 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1C ZINC000353754161 456890799 /nfs/dbraw/zinc/89/07/99/456890799.db2.gz YJNWZRYLXAIXOW-UKRRQHHQSA-N 2 1 338.879 3.416 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1C ZINC000353754161 456890803 /nfs/dbraw/zinc/89/08/03/456890803.db2.gz YJNWZRYLXAIXOW-UKRRQHHQSA-N 2 1 338.879 3.416 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1C ZINC000353754161 456890806 /nfs/dbraw/zinc/89/08/06/456890806.db2.gz YJNWZRYLXAIXOW-UKRRQHHQSA-N 2 1 338.879 3.416 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1C ZINC000353754160 456890893 /nfs/dbraw/zinc/89/08/93/456890893.db2.gz YJNWZRYLXAIXOW-HIFRSBDPSA-N 2 1 338.879 3.416 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1C ZINC000353754160 456890894 /nfs/dbraw/zinc/89/08/94/456890894.db2.gz YJNWZRYLXAIXOW-HIFRSBDPSA-N 2 1 338.879 3.416 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1C ZINC000353754160 456890896 /nfs/dbraw/zinc/89/08/96/456890896.db2.gz YJNWZRYLXAIXOW-HIFRSBDPSA-N 2 1 338.879 3.416 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1C ZINC000353754160 456890898 /nfs/dbraw/zinc/89/08/98/456890898.db2.gz YJNWZRYLXAIXOW-HIFRSBDPSA-N 2 1 338.879 3.416 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCCCOC)c2)C[C@H]1C ZINC000353768790 456898537 /nfs/dbraw/zinc/89/85/37/456898537.db2.gz PQMLZGXPRDPCBV-IEBWSBKVSA-N 2 1 334.504 3.407 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCCCOC)c2)C[C@H]1C ZINC000353768790 456898541 /nfs/dbraw/zinc/89/85/41/456898541.db2.gz PQMLZGXPRDPCBV-IEBWSBKVSA-N 2 1 334.504 3.407 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OCCCOC)c2)C[C@H]1C ZINC000353768790 456898544 /nfs/dbraw/zinc/89/85/44/456898544.db2.gz PQMLZGXPRDPCBV-IEBWSBKVSA-N 2 1 334.504 3.407 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OCCCOC)c2)C[C@H]1C ZINC000353768790 456898547 /nfs/dbraw/zinc/89/85/47/456898547.db2.gz PQMLZGXPRDPCBV-IEBWSBKVSA-N 2 1 334.504 3.407 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000341875031 456982170 /nfs/dbraw/zinc/98/21/70/456982170.db2.gz IQVXRXKOTGIGNT-OAHLLOKOSA-N 2 1 349.438 3.190 20 0 EGADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000354057582 457035746 /nfs/dbraw/zinc/03/57/46/457035746.db2.gz XAACBXOWWMQEQH-ZFWWWQNUSA-N 2 1 330.501 3.437 20 0 EGADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000354057582 457035750 /nfs/dbraw/zinc/03/57/50/457035750.db2.gz XAACBXOWWMQEQH-ZFWWWQNUSA-N 2 1 330.501 3.437 20 0 EGADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccccc1C[NH+](C)C ZINC000362734698 457068806 /nfs/dbraw/zinc/06/88/06/457068806.db2.gz GYTKSUZNCXCZJD-UHFFFAOYSA-N 2 1 331.504 3.085 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000346608223 457075817 /nfs/dbraw/zinc/07/58/17/457075817.db2.gz CNTSWDSTOULYME-IYBDPMFKSA-N 2 1 342.487 3.014 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@@H]21 ZINC000342091356 457103441 /nfs/dbraw/zinc/10/34/41/457103441.db2.gz UKFYYBAVBJJVKQ-GFOJFJKKSA-N 2 1 349.478 3.426 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@@H]21 ZINC000342091356 457103445 /nfs/dbraw/zinc/10/34/45/457103445.db2.gz UKFYYBAVBJJVKQ-GFOJFJKKSA-N 2 1 349.478 3.426 20 0 EGADMP COc1sc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1Br ZINC000346680401 457109584 /nfs/dbraw/zinc/10/95/84/457109584.db2.gz NLLXXISSZADQGR-GFCCVEGCSA-N 2 1 335.311 3.324 20 0 EGADMP COc1sc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1Br ZINC000346680401 457109588 /nfs/dbraw/zinc/10/95/88/457109588.db2.gz NLLXXISSZADQGR-GFCCVEGCSA-N 2 1 335.311 3.324 20 0 EGADMP Cc1ccc(-c2noc([C@H](C)[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)n2)cc1F ZINC000342105270 457110733 /nfs/dbraw/zinc/11/07/33/457110733.db2.gz OFFOBGVZJYKIAA-MKVSYHDVSA-N 2 1 344.434 3.304 20 0 EGADMP Cc1ccc(-c2noc([C@H](C)[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)n2)cc1F ZINC000342105270 457110741 /nfs/dbraw/zinc/11/07/41/457110741.db2.gz OFFOBGVZJYKIAA-MKVSYHDVSA-N 2 1 344.434 3.304 20 0 EGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)C1 ZINC000339440567 457121720 /nfs/dbraw/zinc/12/17/20/457121720.db2.gz YSNMVWFEEHSROT-NHCUHLMSSA-N 2 1 344.499 3.162 20 0 EGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)C1 ZINC000339440567 457121728 /nfs/dbraw/zinc/12/17/28/457121728.db2.gz YSNMVWFEEHSROT-NHCUHLMSSA-N 2 1 344.499 3.162 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)C1 ZINC000339440567 457121734 /nfs/dbraw/zinc/12/17/34/457121734.db2.gz YSNMVWFEEHSROT-NHCUHLMSSA-N 2 1 344.499 3.162 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)C1 ZINC000339440567 457121742 /nfs/dbraw/zinc/12/17/42/457121742.db2.gz YSNMVWFEEHSROT-NHCUHLMSSA-N 2 1 344.499 3.162 20 0 EGADMP Cc1cc(-c2noc([C@H](C)[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)n2)ccc1F ZINC000342133167 457127615 /nfs/dbraw/zinc/12/76/15/457127615.db2.gz JTQTXKHHNJUPOI-FAYQHZLMSA-N 2 1 344.434 3.304 20 0 EGADMP Cc1cc(-c2noc([C@H](C)[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)n2)ccc1F ZINC000342133167 457127622 /nfs/dbraw/zinc/12/76/22/457127622.db2.gz JTQTXKHHNJUPOI-FAYQHZLMSA-N 2 1 344.434 3.304 20 0 EGADMP CC[C@H](C(=O)N[C@H]1CC[NH+](C2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000354287313 457174457 /nfs/dbraw/zinc/17/44/57/457174457.db2.gz ZQYGHWYYFDYCQG-AZUAARDMSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000354287313 457174464 /nfs/dbraw/zinc/17/44/64/457174464.db2.gz ZQYGHWYYFDYCQG-AZUAARDMSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000354287313 457174469 /nfs/dbraw/zinc/17/44/69/457174469.db2.gz ZQYGHWYYFDYCQG-AZUAARDMSA-N 2 1 343.515 3.030 20 0 EGADMP OCC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000356901834 457208518 /nfs/dbraw/zinc/20/85/18/457208518.db2.gz PYJITEAZPIEGKJ-YCHQTSKFSA-N 2 1 328.500 3.038 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000347065436 457212621 /nfs/dbraw/zinc/21/26/21/457212621.db2.gz LDIPAEGQMLZBTA-IBGZPJMESA-N 2 1 325.456 3.092 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000347065436 457212627 /nfs/dbraw/zinc/21/26/27/457212627.db2.gz LDIPAEGQMLZBTA-IBGZPJMESA-N 2 1 325.456 3.092 20 0 EGADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000331689701 457232290 /nfs/dbraw/zinc/23/22/90/457232290.db2.gz UKHMSYWADIXBEV-ZBFHGGJFSA-N 2 1 333.501 3.450 20 0 EGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000331689701 457232296 /nfs/dbraw/zinc/23/22/96/457232296.db2.gz UKHMSYWADIXBEV-ZBFHGGJFSA-N 2 1 333.501 3.450 20 0 EGADMP Cc1cnc([C@H](C)[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)o1 ZINC000357011733 457276388 /nfs/dbraw/zinc/27/63/88/457276388.db2.gz YAVUFZKARWDXDB-ULQDDVLXSA-N 2 1 335.492 3.255 20 0 EGADMP CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)CC1 ZINC000363300099 457287572 /nfs/dbraw/zinc/28/75/72/457287572.db2.gz XUOJLLKKFWSDKD-INIZCTEOSA-N 2 1 348.491 3.236 20 0 EGADMP Brc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cs1 ZINC000357040820 457292411 /nfs/dbraw/zinc/29/24/11/457292411.db2.gz CMDWHFGTHAFLMG-ZDUSSCGKSA-N 2 1 329.307 3.332 20 0 EGADMP CCOc1ncccc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357233938 457390244 /nfs/dbraw/zinc/39/02/44/457390244.db2.gz SFUSPHXXYBXWRZ-FXAWDEMLSA-N 2 1 339.483 3.481 20 0 EGADMP CCOc1ncccc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357233938 457390248 /nfs/dbraw/zinc/39/02/48/457390248.db2.gz SFUSPHXXYBXWRZ-FXAWDEMLSA-N 2 1 339.483 3.481 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000363656426 457400688 /nfs/dbraw/zinc/40/06/88/457400688.db2.gz LUBZUBXCUZTSMF-VQTJNVASSA-N 2 1 329.532 3.361 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363656426 457400695 /nfs/dbraw/zinc/40/06/95/457400695.db2.gz LUBZUBXCUZTSMF-VQTJNVASSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363656426 457400700 /nfs/dbraw/zinc/40/07/00/457400700.db2.gz LUBZUBXCUZTSMF-VQTJNVASSA-N 3 1 329.532 3.361 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000363656426 457400704 /nfs/dbraw/zinc/40/07/04/457400704.db2.gz LUBZUBXCUZTSMF-VQTJNVASSA-N 3 1 329.532 3.361 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000363656426 457400709 /nfs/dbraw/zinc/40/07/09/457400709.db2.gz LUBZUBXCUZTSMF-VQTJNVASSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363656426 457400714 /nfs/dbraw/zinc/40/07/14/457400714.db2.gz LUBZUBXCUZTSMF-VQTJNVASSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363656426 457400718 /nfs/dbraw/zinc/40/07/18/457400718.db2.gz LUBZUBXCUZTSMF-VQTJNVASSA-N 3 1 329.532 3.361 20 0 EGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000352489184 457408744 /nfs/dbraw/zinc/40/87/44/457408744.db2.gz YNMFFEVNIMQTSJ-LJQANCHMSA-N 2 1 325.456 3.364 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000387657849 457431659 /nfs/dbraw/zinc/43/16/59/457431659.db2.gz MJCQUAZOHSGBSE-RTBURBONSA-N 2 1 345.531 3.039 20 0 EGADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352536064 457446586 /nfs/dbraw/zinc/44/65/86/457446586.db2.gz YWPIMXXNWJXGGR-UHFFFAOYSA-N 2 1 341.503 3.225 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000395007409 457474698 /nfs/dbraw/zinc/47/46/98/457474698.db2.gz IUXAUBDEHDUSAD-LBPRGKRZSA-N 2 1 329.257 3.408 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000395007409 457474703 /nfs/dbraw/zinc/47/47/03/457474703.db2.gz IUXAUBDEHDUSAD-LBPRGKRZSA-N 2 1 329.257 3.408 20 0 EGADMP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000360970114 457476970 /nfs/dbraw/zinc/47/69/70/457476970.db2.gz XWGCTVCXIOEGQG-LBPRGKRZSA-N 2 1 335.835 3.057 20 0 EGADMP Fc1ccc(C[NH+]2CCC(Nc3[nH+]cnc4[nH]ccc43)CC2)cc1 ZINC000364099138 457481223 /nfs/dbraw/zinc/48/12/23/457481223.db2.gz DMIOFCTUHVUPLQ-UHFFFAOYSA-N 2 1 325.391 3.174 20 0 EGADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1Cl ZINC000342736991 457488514 /nfs/dbraw/zinc/48/85/14/457488514.db2.gz QSCWUIJGVCIOEX-HOCLYGCPSA-N 2 1 340.895 3.235 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000357434169 457522009 /nfs/dbraw/zinc/52/20/09/457522009.db2.gz CDUNECJHFBXSLS-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000357434169 457522014 /nfs/dbraw/zinc/52/20/14/457522014.db2.gz CDUNECJHFBXSLS-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000357434169 457522020 /nfs/dbraw/zinc/52/20/20/457522020.db2.gz CDUNECJHFBXSLS-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000357434169 457522024 /nfs/dbraw/zinc/52/20/24/457522024.db2.gz CDUNECJHFBXSLS-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP CCSc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000364229681 457535737 /nfs/dbraw/zinc/53/57/37/457535737.db2.gz XYYZZQXFJUYJFI-NZSAHSFTSA-N 2 1 334.529 3.482 20 0 EGADMP CCSc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000364229681 457535741 /nfs/dbraw/zinc/53/57/41/457535741.db2.gz XYYZZQXFJUYJFI-NZSAHSFTSA-N 2 1 334.529 3.482 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H](C(=O)OC)c2ccccc2)C[C@H]1C ZINC000425412795 457540865 /nfs/dbraw/zinc/54/08/65/457540865.db2.gz CDUQVKDGOXJIRY-NZSAHSFTSA-N 2 1 332.488 3.138 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H](C(=O)OC)c2ccccc2)C[C@H]1C ZINC000425412795 457540872 /nfs/dbraw/zinc/54/08/72/457540872.db2.gz CDUQVKDGOXJIRY-NZSAHSFTSA-N 2 1 332.488 3.138 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H](C(=O)OC)c2ccccc2)C[C@H]1C ZINC000425412795 457540875 /nfs/dbraw/zinc/54/08/75/457540875.db2.gz CDUQVKDGOXJIRY-NZSAHSFTSA-N 2 1 332.488 3.138 20 0 EGADMP COC(=O)[C@H](CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000425422884 457548753 /nfs/dbraw/zinc/54/87/53/457548753.db2.gz SUVXTEOMZXYBHU-VQTJNVASSA-N 2 1 344.499 3.284 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Cc2ccccc2CO)CC1 ZINC000347631364 457562882 /nfs/dbraw/zinc/56/28/82/457562882.db2.gz CCMZWMHTDMQWDS-UHFFFAOYSA-N 2 1 341.499 3.419 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCS[C@@H](c3ccccc3)C2)CC1 ZINC000374327845 457587744 /nfs/dbraw/zinc/58/77/44/457587744.db2.gz RSIKJYADAYALKF-HXUWFJFHSA-N 2 1 347.572 3.193 20 0 EGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361182490 457634411 /nfs/dbraw/zinc/63/44/11/457634411.db2.gz BIXOWFOULWPQIQ-DNVCBOLYSA-N 2 1 332.463 3.294 20 0 EGADMP C[C@@H](C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000425945726 457656782 /nfs/dbraw/zinc/65/67/82/457656782.db2.gz SETXCPWDOQBMMR-SIKLNZKXSA-N 2 1 338.495 3.359 20 0 EGADMP C[C@@H](C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000425945726 457656786 /nfs/dbraw/zinc/65/67/86/457656786.db2.gz SETXCPWDOQBMMR-SIKLNZKXSA-N 2 1 338.495 3.359 20 0 EGADMP C[C@@H](C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000425945726 457656791 /nfs/dbraw/zinc/65/67/91/457656791.db2.gz SETXCPWDOQBMMR-SIKLNZKXSA-N 2 1 338.495 3.359 20 0 EGADMP C[C@@H](C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000425945726 457656796 /nfs/dbraw/zinc/65/67/96/457656796.db2.gz SETXCPWDOQBMMR-SIKLNZKXSA-N 2 1 338.495 3.359 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000357742610 457675086 /nfs/dbraw/zinc/67/50/86/457675086.db2.gz LMPHVTUOFZGMRB-IEBWSBKVSA-N 2 1 348.535 3.017 20 0 EGADMP Cc1csc(N2CCC([NH2+][C@@H](C)C[N@@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000370676468 457698066 /nfs/dbraw/zinc/69/80/66/457698066.db2.gz LFYJTDFLBURORD-CABCVRRESA-N 2 1 336.549 3.130 20 0 EGADMP Cc1csc(N2CCC([NH2+][C@@H](C)C[N@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000370676468 457698069 /nfs/dbraw/zinc/69/80/69/457698069.db2.gz LFYJTDFLBURORD-CABCVRRESA-N 2 1 336.549 3.130 20 0 EGADMP CO[C@@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000370705836 457703822 /nfs/dbraw/zinc/70/38/22/457703822.db2.gz JORSLNOJPOGJCM-HXUWFJFHSA-N 2 1 345.531 3.218 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(SC)c2)[C@@H](C)C1 ZINC000357838606 457706523 /nfs/dbraw/zinc/70/65/23/457706523.db2.gz FZLHARDRWAKXTO-DOTOQJQBSA-N 2 1 337.533 3.030 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(SC)c2)[C@@H](C)C1 ZINC000357838606 457706526 /nfs/dbraw/zinc/70/65/26/457706526.db2.gz FZLHARDRWAKXTO-DOTOQJQBSA-N 2 1 337.533 3.030 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(SC)c2)[C@H](C)C1 ZINC000357838613 457706686 /nfs/dbraw/zinc/70/66/86/457706686.db2.gz FZLHARDRWAKXTO-WBVHZDCISA-N 2 1 337.533 3.030 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(SC)c2)[C@H](C)C1 ZINC000357838613 457706689 /nfs/dbraw/zinc/70/66/89/457706689.db2.gz FZLHARDRWAKXTO-WBVHZDCISA-N 2 1 337.533 3.030 20 0 EGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912516 457732194 /nfs/dbraw/zinc/73/21/94/457732194.db2.gz XSZACTNBURYAHA-QAPCUYQASA-N 2 1 349.906 3.109 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)C(C)(C)n2cncn2)CC1 ZINC000375081314 457784240 /nfs/dbraw/zinc/78/42/40/457784240.db2.gz PYHZZPSSCMAGGP-SJORKVTESA-N 2 1 341.503 3.217 20 0 EGADMP C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000426302033 457803412 /nfs/dbraw/zinc/80/34/12/457803412.db2.gz GVVJJLRXPHOKNX-SFHVURJKSA-N 2 1 345.531 3.135 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1O ZINC000426401491 457822557 /nfs/dbraw/zinc/82/25/57/457822557.db2.gz PSFGRFURNGBQHZ-YESZJQIVSA-N 2 1 334.504 3.432 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1O ZINC000426401491 457822559 /nfs/dbraw/zinc/82/25/59/457822559.db2.gz PSFGRFURNGBQHZ-YESZJQIVSA-N 2 1 334.504 3.432 20 0 EGADMP CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411223554 457834213 /nfs/dbraw/zinc/83/42/13/457834213.db2.gz OQKIJUDBXHLDQT-HXUWFJFHSA-N 2 1 343.515 3.163 20 0 EGADMP COC[C@@H]1CCC[NH+](CCC(C)CC[N@@H+]2CCC[C@@H](COC)C2)C1 ZINC000411261607 457845035 /nfs/dbraw/zinc/84/50/35/457845035.db2.gz ATGSNNRTVMMVMB-WOJBJXKFSA-N 2 1 340.552 3.120 20 0 EGADMP Cc1nccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000366582978 457860253 /nfs/dbraw/zinc/86/02/53/457860253.db2.gz OSXZQLDBCUTRKY-UHFFFAOYSA-N 2 1 336.483 3.273 20 0 EGADMP Cc1cnc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000371356361 457880721 /nfs/dbraw/zinc/88/07/21/457880721.db2.gz XEMBYZGVWLEBSW-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP Cc1cnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000371356361 457880726 /nfs/dbraw/zinc/88/07/26/457880726.db2.gz XEMBYZGVWLEBSW-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP C[N@@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccccc1Cl)CC2 ZINC000411444223 457890217 /nfs/dbraw/zinc/89/02/17/457890217.db2.gz MQZHQABCODJQAA-UHFFFAOYSA-N 2 1 335.879 3.229 20 0 EGADMP C[N@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccccc1Cl)CC2 ZINC000411444223 457890227 /nfs/dbraw/zinc/89/02/27/457890227.db2.gz MQZHQABCODJQAA-UHFFFAOYSA-N 2 1 335.879 3.229 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)cc1)C1CC1 ZINC000358385835 457969405 /nfs/dbraw/zinc/96/94/05/457969405.db2.gz PAOBPHDLVOKUCM-INIZCTEOSA-N 2 1 341.499 3.051 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1)C1CC1 ZINC000358385835 457969412 /nfs/dbraw/zinc/96/94/12/457969412.db2.gz PAOBPHDLVOKUCM-INIZCTEOSA-N 2 1 341.499 3.051 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1)C1CC1 ZINC000358385835 457969418 /nfs/dbraw/zinc/96/94/18/457969418.db2.gz PAOBPHDLVOKUCM-INIZCTEOSA-N 2 1 341.499 3.051 20 0 EGADMP CCSc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000368366660 458031334 /nfs/dbraw/zinc/03/13/34/458031334.db2.gz GUVCFKITZRFRRE-XLIONFOSSA-N 2 1 347.572 3.256 20 0 EGADMP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000445411553 458046842 /nfs/dbraw/zinc/04/68/42/458046842.db2.gz KQGJVHOQWCWOOT-FGSXEWAUSA-N 2 1 341.543 3.194 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358515636 458051911 /nfs/dbraw/zinc/05/19/11/458051911.db2.gz MVVWKNZVTNFJIW-MRXNPFEDSA-N 2 1 337.467 3.242 20 0 EGADMP O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]2C1 ZINC000412040680 458059965 /nfs/dbraw/zinc/05/99/65/458059965.db2.gz ISWSHXCTRMOODA-QHAWAJNXSA-N 2 1 328.500 3.265 20 0 EGADMP O[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C[C@@H]2C1 ZINC000412044937 458065304 /nfs/dbraw/zinc/06/53/04/458065304.db2.gz MFUCXVMBKAKNHT-QHAWAJNXSA-N 2 1 328.500 3.265 20 0 EGADMP CCc1nc(C)c(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000428235956 458102276 /nfs/dbraw/zinc/10/22/76/458102276.db2.gz INHZNEWQHZATGW-GOSISDBHSA-N 2 1 327.472 3.499 20 0 EGADMP C[C@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C[N@H+]1C1CC1 ZINC000412179085 458118322 /nfs/dbraw/zinc/11/83/22/458118322.db2.gz UJVWVHBDTCEIBY-LPHOPBHVSA-N 2 1 341.499 3.028 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3CCCc4ccccc43)C2)CC1 ZINC000375906097 458119322 /nfs/dbraw/zinc/11/93/22/458119322.db2.gz OFVVMSWNHMDOBB-PZJWPPBQSA-N 2 1 327.516 3.164 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3c(F)cccc3F)C2)CC1 ZINC000375906883 458119400 /nfs/dbraw/zinc/11/94/00/458119400.db2.gz WHSFXBKEDAFQAM-HZPDHXFCSA-N 2 1 337.458 3.126 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3c(F)cccc3F)C2)CC1 ZINC000375906883 458119406 /nfs/dbraw/zinc/11/94/06/458119406.db2.gz WHSFXBKEDAFQAM-HZPDHXFCSA-N 2 1 337.458 3.126 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3c(F)cccc3F)C2)CC1 ZINC000375906882 458119440 /nfs/dbraw/zinc/11/94/40/458119440.db2.gz WHSFXBKEDAFQAM-HOTGVXAUSA-N 2 1 337.458 3.126 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3c(F)cccc3F)C2)CC1 ZINC000375906882 458119447 /nfs/dbraw/zinc/11/94/47/458119447.db2.gz WHSFXBKEDAFQAM-HOTGVXAUSA-N 2 1 337.458 3.126 20 0 EGADMP CC[N@@H+](Cc1cc2c(cc1SC)OCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435380938 458127914 /nfs/dbraw/zinc/12/79/14/458127914.db2.gz QQQYDWDJFDFKNZ-OAHLLOKOSA-N 2 1 336.501 3.144 20 0 EGADMP COc1c(Br)cccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000435382522 458129863 /nfs/dbraw/zinc/12/98/63/458129863.db2.gz DNQLKQSYAXCMRB-NJZAAPMLSA-N 2 1 339.277 3.017 20 0 EGADMP COc1c(Br)cccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000435382522 458129869 /nfs/dbraw/zinc/12/98/69/458129869.db2.gz DNQLKQSYAXCMRB-NJZAAPMLSA-N 2 1 339.277 3.017 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000435395968 458135936 /nfs/dbraw/zinc/13/59/36/458135936.db2.gz SXXXJQSVYODPDR-QGZVFWFLSA-N 2 1 344.430 3.194 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000435395968 458135944 /nfs/dbraw/zinc/13/59/44/458135944.db2.gz SXXXJQSVYODPDR-QGZVFWFLSA-N 2 1 344.430 3.194 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1CNc1cccc(C)n1 ZINC000362403137 458156465 /nfs/dbraw/zinc/15/64/65/458156465.db2.gz TVWHSACOUIBNBO-SFHVURJKSA-N 2 1 327.476 3.252 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1CNc1cccc(C)n1 ZINC000362403137 458156470 /nfs/dbraw/zinc/15/64/70/458156470.db2.gz TVWHSACOUIBNBO-SFHVURJKSA-N 2 1 327.476 3.252 20 0 EGADMP Fc1ccc(OCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435615492 458172414 /nfs/dbraw/zinc/17/24/14/458172414.db2.gz JFFAUHHLBGBKPR-LJQANCHMSA-N 2 1 343.446 3.244 20 0 EGADMP Fc1ccc(OCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435615492 458172421 /nfs/dbraw/zinc/17/24/21/458172421.db2.gz JFFAUHHLBGBKPR-LJQANCHMSA-N 2 1 343.446 3.244 20 0 EGADMP Cc1cccc(OCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435628415 458176014 /nfs/dbraw/zinc/17/60/14/458176014.db2.gz QQLJOUVTPJGJDS-FQEVSTJZSA-N 2 1 339.483 3.413 20 0 EGADMP Cc1cccc(OCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435628415 458176021 /nfs/dbraw/zinc/17/60/21/458176021.db2.gz QQLJOUVTPJGJDS-FQEVSTJZSA-N 2 1 339.483 3.413 20 0 EGADMP C[N@H+]1CCC[C@H](CCNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412417410 458197993 /nfs/dbraw/zinc/19/79/93/458197993.db2.gz KOHOBEYELSLEFH-GOSISDBHSA-N 2 1 343.515 3.134 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428860512 458223977 /nfs/dbraw/zinc/22/39/77/458223977.db2.gz LQORWRZEOFQAQE-GFCCVEGCSA-N 2 1 336.423 3.093 20 0 EGADMP CCOc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000362502610 458224529 /nfs/dbraw/zinc/22/45/29/458224529.db2.gz MNPGKIXNAOXJPP-AEFFLSMTSA-N 2 1 347.503 3.219 20 0 EGADMP CCOc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000362502610 458224532 /nfs/dbraw/zinc/22/45/32/458224532.db2.gz MNPGKIXNAOXJPP-AEFFLSMTSA-N 2 1 347.503 3.219 20 0 EGADMP CCOc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000362502610 458224534 /nfs/dbraw/zinc/22/45/34/458224534.db2.gz MNPGKIXNAOXJPP-AEFFLSMTSA-N 2 1 347.503 3.219 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000429247254 458297867 /nfs/dbraw/zinc/29/78/67/458297867.db2.gz QSQLNOKFQXPXCH-QGZVFWFLSA-N 2 1 336.524 3.191 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000429247254 458297873 /nfs/dbraw/zinc/29/78/73/458297873.db2.gz QSQLNOKFQXPXCH-QGZVFWFLSA-N 2 1 336.524 3.191 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(C1CC1)C1CCCC1 ZINC000429247242 458298203 /nfs/dbraw/zinc/29/82/03/458298203.db2.gz QSPPBPGENRPULK-UHFFFAOYSA-N 2 1 346.519 3.091 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C1CC1)C1CCCC1 ZINC000429247242 458298204 /nfs/dbraw/zinc/29/82/04/458298204.db2.gz QSPPBPGENRPULK-UHFFFAOYSA-N 2 1 346.519 3.091 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459463965 458379551 /nfs/dbraw/zinc/37/95/51/458379551.db2.gz HTRHWIDMMLRZAY-HDICACEKSA-N 2 1 344.547 3.397 20 0 EGADMP COc1ccccc1-n1nccc1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000430013219 458390090 /nfs/dbraw/zinc/39/00/90/458390090.db2.gz OOZUXBGTFQZUSJ-UHFFFAOYSA-N 2 1 342.487 3.093 20 0 EGADMP CN(CC[N@@H+](C)Cc1ccc2c(c1)CCCC2)C1CC[NH+](C)CC1 ZINC000430086140 458399080 /nfs/dbraw/zinc/39/90/80/458399080.db2.gz QADRUCOAJNJQMF-UHFFFAOYSA-N 2 1 329.532 3.023 20 0 EGADMP Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423430911 458431603 /nfs/dbraw/zinc/43/16/03/458431603.db2.gz MVGLNLXYGYLHHP-CLWVCHIJSA-N 2 1 346.272 3.115 20 0 EGADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000423481425 458439928 /nfs/dbraw/zinc/43/99/28/458439928.db2.gz WNGJUNWGOGIKIY-RLLQIKCJSA-N 2 1 329.532 3.189 20 0 EGADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000423481424 458440076 /nfs/dbraw/zinc/44/00/76/458440076.db2.gz WNGJUNWGOGIKIY-MISYRCLQSA-N 2 1 329.532 3.189 20 0 EGADMP CSc1ccccc1[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423505562 458445692 /nfs/dbraw/zinc/44/56/92/458445692.db2.gz HECJKRGPIZKPMH-KLAILNCOSA-N 2 1 333.545 3.276 20 0 EGADMP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423517111 458449005 /nfs/dbraw/zinc/44/90/05/458449005.db2.gz NYUDUPIILGREOL-QFBILLFUSA-N 2 1 340.467 3.391 20 0 EGADMP CCOC[C@H]1CCCC[NH+]1CC(C)C[N@@H+]1CCCC[C@@H]1COCC ZINC000459698442 458450138 /nfs/dbraw/zinc/45/01/38/458450138.db2.gz CBURQVVLMKEKQY-WOJBJXKFSA-N 2 1 340.552 3.405 20 0 EGADMP Cc1cncc([C@@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000423541329 458454781 /nfs/dbraw/zinc/45/47/81/458454781.db2.gz AQURPIHWXZELGX-GOSISDBHSA-N 2 1 338.499 3.034 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCO[C@H]2C2CC2)C3)cc1 ZINC000377077289 458456395 /nfs/dbraw/zinc/45/63/95/458456395.db2.gz KEBQJGCZIHNARG-SSTJLMRISA-N 2 1 326.484 3.339 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000459721746 458457247 /nfs/dbraw/zinc/45/72/47/458457247.db2.gz ASZYUDHMJSXLRZ-INIZCTEOSA-N 2 1 332.488 3.463 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000430548684 458459612 /nfs/dbraw/zinc/45/96/12/458459612.db2.gz HDSFKXIMEZZDMQ-WBVHZDCISA-N 2 1 349.494 3.012 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000430548684 458459618 /nfs/dbraw/zinc/45/96/18/458459618.db2.gz HDSFKXIMEZZDMQ-WBVHZDCISA-N 2 1 349.494 3.012 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(Br)c2F)C1 ZINC000459732513 458460784 /nfs/dbraw/zinc/46/07/84/458460784.db2.gz GBNOQDKXMNZWHW-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459780940 458477687 /nfs/dbraw/zinc/47/76/87/458477687.db2.gz LZZFAESXHBPNRH-SJORKVTESA-N 2 1 331.504 3.288 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459780937 458477948 /nfs/dbraw/zinc/47/79/48/458477948.db2.gz LZZFAESXHBPNRH-DLBZAZTESA-N 2 1 331.504 3.288 20 0 EGADMP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000423737386 458478013 /nfs/dbraw/zinc/47/80/13/458478013.db2.gz AOJZCEHUTNYSIQ-APWZRJJASA-N 2 1 331.504 3.045 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CN(Cc2ccccc2)C1 ZINC000459794407 458480871 /nfs/dbraw/zinc/48/08/71/458480871.db2.gz UPNIEDPUGJAKLE-NRSPTQNISA-N 2 1 329.532 3.219 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000437845158 458501563 /nfs/dbraw/zinc/50/15/63/458501563.db2.gz WCVVONUKFIXVLU-FQEVSTJZSA-N 2 1 343.515 3.275 20 0 EGADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000423937603 458516306 /nfs/dbraw/zinc/51/63/06/458516306.db2.gz HHFDWYYXBAGCDB-PMACEKPBSA-N 2 1 339.483 3.058 20 0 EGADMP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccc(Cl)cc1Cl ZINC000431031509 458518527 /nfs/dbraw/zinc/51/85/27/458518527.db2.gz AKFMWSIJMOXWJK-UHFFFAOYSA-N 2 1 342.270 3.007 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)Cc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000453219980 458520990 /nfs/dbraw/zinc/52/09/90/458520990.db2.gz NNKCIOVATRYVBP-ACRUOGEOSA-N 2 1 342.458 3.154 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)Cc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000453219980 458520996 /nfs/dbraw/zinc/52/09/96/458520996.db2.gz NNKCIOVATRYVBP-ACRUOGEOSA-N 2 1 342.458 3.154 20 0 EGADMP CCC[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)C1CC[NH2+]CC1 ZINC000431080598 458526667 /nfs/dbraw/zinc/52/66/67/458526667.db2.gz BKXOFCWSAITLSZ-UHFFFAOYSA-N 2 1 348.878 3.397 20 0 EGADMP CC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000431080156 458526758 /nfs/dbraw/zinc/52/67/58/458526758.db2.gz LDIMOQAFNFEEJR-INIZCTEOSA-N 2 1 348.466 3.492 20 0 EGADMP CC(C)([NH3+])c1noc(C[N@@H+](CCc2cccc(F)c2)C2CCCC2)n1 ZINC000431101248 458530254 /nfs/dbraw/zinc/53/02/54/458530254.db2.gz YSBQSJHQJYEGJT-UHFFFAOYSA-N 2 1 346.450 3.390 20 0 EGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000438123336 458537887 /nfs/dbraw/zinc/53/78/87/458537887.db2.gz QRLINCPJAQEWTJ-UHFFFAOYSA-N 2 1 326.419 3.495 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424145405 458570113 /nfs/dbraw/zinc/57/01/13/458570113.db2.gz NMFUNEXKBLYLES-RBUKOAKNSA-N 2 1 337.552 3.255 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CC[C@@H]([NH3+])CC3CCCCC3)CC[C@@H]21 ZINC000424171850 458576436 /nfs/dbraw/zinc/57/64/36/458576436.db2.gz LKLIKJSRMOUCGH-QRVBRYPASA-N 2 1 335.536 3.007 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc3OC2)[C@H](C)C1 ZINC000493895500 458595374 /nfs/dbraw/zinc/59/53/74/458595374.db2.gz XMLQATNTQXCKQJ-HOJAQTOUSA-N 2 1 346.515 3.107 20 0 EGADMP c1ccc(C(OCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c2ccccc2)cc1 ZINC000462386732 458617004 /nfs/dbraw/zinc/61/70/04/458617004.db2.gz GPANBBKXRVNXLR-QFIPXVFZSA-N 2 1 336.479 3.478 20 0 EGADMP Cc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(-c2cnn(C)c2)c1 ZINC000424377019 458629342 /nfs/dbraw/zinc/62/93/42/458629342.db2.gz LNPADLAPDMBABH-QGZVFWFLSA-N 2 1 338.499 3.360 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc(O)c1Br)CC[NH2+]CC2 ZINC000424376212 458629374 /nfs/dbraw/zinc/62/93/74/458629374.db2.gz KMCPLKDZDLDLIF-GFCCVEGCSA-N 2 1 339.277 3.119 20 0 EGADMP Cc1nn2c(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)c(C(C)C)nc2s1 ZINC000424382816 458629891 /nfs/dbraw/zinc/62/98/91/458629891.db2.gz SXJSPERSNVRBIC-ZDUSSCGKSA-N 2 1 347.532 3.187 20 0 EGADMP COc1ccc2ccccc2c1CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000432367535 458724430 /nfs/dbraw/zinc/72/44/30/458724430.db2.gz HLRHECXUOHETLC-QGZVFWFLSA-N 2 1 342.483 3.439 20 0 EGADMP COc1ccc2ccccc2c1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432367535 458724433 /nfs/dbraw/zinc/72/44/33/458724433.db2.gz HLRHECXUOHETLC-QGZVFWFLSA-N 2 1 342.483 3.439 20 0 EGADMP Fc1cccc(Cl)c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530237291 458728015 /nfs/dbraw/zinc/72/80/15/458728015.db2.gz DDLGTXKMSLHBMX-AWEZNQCLSA-N 2 1 326.843 3.070 20 0 EGADMP FC(F)(F)OCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000474059729 458857961 /nfs/dbraw/zinc/85/79/61/458857961.db2.gz OZSOPUJYXODJGY-GVDBMIGSSA-N 2 1 342.405 3.413 20 0 EGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC2CCCCCC2)CC1 ZINC000531162857 458880978 /nfs/dbraw/zinc/88/09/78/458880978.db2.gz FJFDCZRNAXAEIU-UHFFFAOYSA-N 2 1 330.476 3.132 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000474480189 458888286 /nfs/dbraw/zinc/88/82/86/458888286.db2.gz ZNPSGINFNWUGMS-UHFFFAOYSA-N 2 1 332.488 3.138 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3COc4ccccc4C3)C2)cc1 ZINC000556075666 458926117 /nfs/dbraw/zinc/92/61/17/458926117.db2.gz BVGTXNZEVJOSIC-TZIWHRDSSA-N 2 1 336.479 3.144 20 0 EGADMP FC(F)(F)c1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC000441377349 458932286 /nfs/dbraw/zinc/93/22/86/458932286.db2.gz GHWZCGHVUILQRS-CQSZACIVSA-N 2 1 338.377 3.040 20 0 EGADMP FC(F)(F)c1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]n1 ZINC000441377349 458932290 /nfs/dbraw/zinc/93/22/90/458932290.db2.gz GHWZCGHVUILQRS-CQSZACIVSA-N 2 1 338.377 3.040 20 0 EGADMP CCN(C(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000566469363 458942653 /nfs/dbraw/zinc/94/26/53/458942653.db2.gz CZPUVWYMLFYXJE-HXUWFJFHSA-N 2 1 343.515 3.275 20 0 EGADMP C[C@@H](Cc1ccsc1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677573 458959442 /nfs/dbraw/zinc/95/94/42/458959442.db2.gz XDRHVGVRTGVJQO-RDJZCZTQSA-N 2 1 349.569 3.319 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cc(C)ccc2OC)[C@H](C)C1 ZINC000531689500 458961564 /nfs/dbraw/zinc/96/15/64/458961564.db2.gz KTCVOYCWVKGVFL-QUCCMNQESA-N 2 1 348.531 3.273 20 0 EGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000495863819 458982423 /nfs/dbraw/zinc/98/24/23/458982423.db2.gz FTDFXIUFUMHRRP-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000495879551 458990567 /nfs/dbraw/zinc/99/05/67/458990567.db2.gz VRGOZRKGZCWANY-NVXWUHKLSA-N 2 1 339.524 3.096 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)[C@@H](C)C1 ZINC000495908365 459001820 /nfs/dbraw/zinc/00/18/20/459001820.db2.gz BEABWWPCOLXSAT-HZMVEIRTSA-N 2 1 339.524 3.094 20 0 EGADMP COC(=O)c1cccc(CN[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000566941777 459023648 /nfs/dbraw/zinc/02/36/48/459023648.db2.gz UQLRVWAMXMAFDI-OXQOHEQNSA-N 2 1 338.451 3.398 20 0 EGADMP CCC[C@H](CCc1ccccc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442879455 459050414 /nfs/dbraw/zinc/05/04/14/459050414.db2.gz WHBNRCTXLKPOKJ-HXUWFJFHSA-N 2 1 331.548 3.404 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]C2CCC(c3ccccc3)CC2)CC1(C)C ZINC000442888968 459055264 /nfs/dbraw/zinc/05/52/64/459055264.db2.gz IIEBSCBJILOKSU-UHFFFAOYSA-N 2 1 329.532 3.328 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000443054769 459077020 /nfs/dbraw/zinc/07/70/20/459077020.db2.gz ABVMJFOSXBOXNS-AWEZNQCLSA-N 2 1 349.475 3.422 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000443054769 459077023 /nfs/dbraw/zinc/07/70/23/459077023.db2.gz ABVMJFOSXBOXNS-AWEZNQCLSA-N 2 1 349.475 3.422 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000443055262 459078394 /nfs/dbraw/zinc/07/83/94/459078394.db2.gz BADNQFBPBMPYJS-UTKZUKDTSA-N 2 1 343.515 3.095 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc2c(c1)CCC(=O)N2 ZINC000532442420 459087854 /nfs/dbraw/zinc/08/78/54/459087854.db2.gz JCWPTAXBSURXTG-HZPDHXFCSA-N 2 1 329.488 3.486 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000478395451 459087907 /nfs/dbraw/zinc/08/79/07/459087907.db2.gz BHDQDWKHMGPSKX-UXHICEINSA-N 2 1 345.531 3.103 20 0 EGADMP CCCc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c2ccccc2[nH+]1 ZINC000557697232 459100358 /nfs/dbraw/zinc/10/03/58/459100358.db2.gz OCLKPEJAMOEVCQ-AEFFLSMTSA-N 2 1 339.483 3.487 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000496284134 459136073 /nfs/dbraw/zinc/13/60/73/459136073.db2.gz NNPBXGZAXWSYQM-HOTGVXAUSA-N 2 1 331.460 3.026 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N([C@@H](C)C(C)C)C3CC3)CC2)CC1 ZINC000567625048 459136524 /nfs/dbraw/zinc/13/65/24/459136524.db2.gz COKSXQWEIPHNHG-KRWDZBQOSA-N 2 1 349.563 3.218 20 0 EGADMP COc1cccc(Oc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cn2)c1 ZINC000567642319 459139083 /nfs/dbraw/zinc/13/90/83/459139083.db2.gz HIHAFONFOCQXDX-SJPCQFCGSA-N 2 1 339.439 3.255 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Br)cn2)C1 ZINC000567662646 459141499 /nfs/dbraw/zinc/14/14/99/459141499.db2.gz IMIGKNUFMGDZGR-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Br)cn2)C1 ZINC000567662646 459141502 /nfs/dbraw/zinc/14/15/02/459141502.db2.gz IMIGKNUFMGDZGR-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccccc2F)[C@@H](C)C1 ZINC000479518292 459145316 /nfs/dbraw/zinc/14/53/16/459145316.db2.gz QJVMAFMZBZOYKQ-FXAWDEMLSA-N 2 1 336.495 3.485 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000479947202 459174060 /nfs/dbraw/zinc/17/40/60/459174060.db2.gz HRGFEPRDXKBFQI-KRWDZBQOSA-N 2 1 332.488 3.463 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000479947202 459174066 /nfs/dbraw/zinc/17/40/66/459174066.db2.gz HRGFEPRDXKBFQI-KRWDZBQOSA-N 2 1 332.488 3.463 20 0 EGADMP C[C@@H](C[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)C[NH+]1CCCC1 ZINC000479979024 459175328 /nfs/dbraw/zinc/17/53/28/459175328.db2.gz LCMKDIPAVDZXAY-INIZCTEOSA-N 2 1 332.488 3.463 20 0 EGADMP Fc1cc(Br)ccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567870529 459182142 /nfs/dbraw/zinc/18/21/42/459182142.db2.gz FZPMUGRZRVVOIK-CYBMUJFWSA-N 2 1 341.268 3.410 20 0 EGADMP C[C@H](CN[C@H](C)c1cccc(OCC[NH+](C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000480625093 459209470 /nfs/dbraw/zinc/20/94/70/459209470.db2.gz MOHCHGOESDQMMW-GUDVDZBRSA-N 2 1 347.547 3.398 20 0 EGADMP C[C@H](CN[C@H](C)c1cccc(OCC[NH+](C)C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000480625093 459209473 /nfs/dbraw/zinc/20/94/73/459209473.db2.gz MOHCHGOESDQMMW-GUDVDZBRSA-N 2 1 347.547 3.398 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCCCC2)cc1OC ZINC000480678140 459212173 /nfs/dbraw/zinc/21/21/73/459212173.db2.gz SGTMLHSPWMECNY-SJORKVTESA-N 2 1 334.504 3.489 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000590787173 459219238 /nfs/dbraw/zinc/21/92/38/459219238.db2.gz TTYPJMHDXRAKDJ-UHFFFAOYSA-N 2 1 336.451 3.244 20 0 EGADMP C[N@H+]1CC[C@H](c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)C1 ZINC000522236345 459228914 /nfs/dbraw/zinc/22/89/14/459228914.db2.gz QIPOVUXLHVJWNO-KRWDZBQOSA-N 2 1 326.444 3.142 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000590818985 459231766 /nfs/dbraw/zinc/23/17/66/459231766.db2.gz OVLYUZNSDFDYHK-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000496672701 459281017 /nfs/dbraw/zinc/28/10/17/459281017.db2.gz MEQYXOBETOZANS-MRXNPFEDSA-N 2 1 331.460 3.122 20 0 EGADMP C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000496672701 459281020 /nfs/dbraw/zinc/28/10/20/459281020.db2.gz MEQYXOBETOZANS-MRXNPFEDSA-N 2 1 331.460 3.122 20 0 EGADMP Cc1[nH+]cc(CNc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)n1C ZINC000581954919 459283771 /nfs/dbraw/zinc/28/37/71/459283771.db2.gz PKLRMCLOPVHUOK-UHFFFAOYSA-N 2 1 341.503 3.179 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CC[NH+](C(C)C)C2)cc1 ZINC000523455778 459305835 /nfs/dbraw/zinc/30/58/35/459305835.db2.gz KVVCJNPGFQICTP-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000523455778 459305838 /nfs/dbraw/zinc/30/58/38/459305838.db2.gz KVVCJNPGFQICTP-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000523455778 459305843 /nfs/dbraw/zinc/30/58/43/459305843.db2.gz KVVCJNPGFQICTP-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000582129826 459313597 /nfs/dbraw/zinc/31/35/97/459313597.db2.gz DVDULCIVDIKGIJ-HXUWFJFHSA-N 2 1 327.472 3.115 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000582129826 459313598 /nfs/dbraw/zinc/31/35/98/459313598.db2.gz DVDULCIVDIKGIJ-HXUWFJFHSA-N 2 1 327.472 3.115 20 0 EGADMP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000496781693 459323172 /nfs/dbraw/zinc/32/31/72/459323172.db2.gz OGRYVXPNPLTPLP-JKSUJKDBSA-N 2 1 327.513 3.001 20 0 EGADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000496781690 459323355 /nfs/dbraw/zinc/32/33/55/459323355.db2.gz OGRYVXPNPLTPLP-CVEARBPZSA-N 2 1 327.513 3.001 20 0 EGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000496787827 459324821 /nfs/dbraw/zinc/32/48/21/459324821.db2.gz WFNBEYPGXZRTDL-MRXNPFEDSA-N 2 1 339.524 3.240 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000482944698 459331847 /nfs/dbraw/zinc/33/18/47/459331847.db2.gz HHESCWFJXWIJLA-GHTZIAJQSA-N 3 1 329.532 3.492 20 0 EGADMP C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000482944698 459331852 /nfs/dbraw/zinc/33/18/52/459331852.db2.gz HHESCWFJXWIJLA-GHTZIAJQSA-N 2 1 329.532 3.492 20 0 EGADMP CC[C@H](CCO)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000560524982 459366182 /nfs/dbraw/zinc/36/61/82/459366182.db2.gz TWFJIGULOMCVJY-XRXFAXGQSA-N 2 1 330.516 3.428 20 0 EGADMP COc1cccc(C[N@H+](CCCc2c[nH+]cn2C)C[C@H]2CCCO2)c1 ZINC000582615155 459396397 /nfs/dbraw/zinc/39/63/97/459396397.db2.gz RTESWOJXQLWKLB-HXUWFJFHSA-N 2 1 343.471 3.043 20 0 EGADMP COc1cccc(C[N@@H+](CCCc2c[nH+]cn2C)C[C@H]2CCCO2)c1 ZINC000582615155 459396401 /nfs/dbraw/zinc/39/64/01/459396401.db2.gz RTESWOJXQLWKLB-HXUWFJFHSA-N 2 1 343.471 3.043 20 0 EGADMP CCC[N@H+](CCCc1c[nH+]cn1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000582674350 459408365 /nfs/dbraw/zinc/40/83/65/459408365.db2.gz OCIADZOXTXNPSM-MRXNPFEDSA-N 2 1 328.460 3.092 20 0 EGADMP CCC[N@@H+](CCCc1c[nH+]cn1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000582674350 459408369 /nfs/dbraw/zinc/40/83/69/459408369.db2.gz OCIADZOXTXNPSM-MRXNPFEDSA-N 2 1 328.460 3.092 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000497041076 459415448 /nfs/dbraw/zinc/41/54/48/459415448.db2.gz YYSUONPBJVXVPO-SJORKVTESA-N 2 1 339.524 3.098 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2ccc(C[NH3+])cc2)cc1 ZINC000569248420 459421406 /nfs/dbraw/zinc/42/14/06/459421406.db2.gz OUZHNYCCJBOWGU-UHFFFAOYSA-N 2 1 339.483 3.307 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000582837109 459436575 /nfs/dbraw/zinc/43/65/75/459436575.db2.gz HMQCJZVZFFPORP-LJQANCHMSA-N 2 1 338.923 3.296 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000484971600 459437205 /nfs/dbraw/zinc/43/72/05/459437205.db2.gz MLERISSTRJUJLX-SCWSEQNSSA-N 2 1 343.515 3.093 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000484971600 459437211 /nfs/dbraw/zinc/43/72/11/459437211.db2.gz MLERISSTRJUJLX-SCWSEQNSSA-N 2 1 343.515 3.093 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000484971598 459437731 /nfs/dbraw/zinc/43/77/31/459437731.db2.gz MLERISSTRJUJLX-LRQRDZAKSA-N 2 1 343.515 3.093 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000484971598 459437736 /nfs/dbraw/zinc/43/77/36/459437736.db2.gz MLERISSTRJUJLX-LRQRDZAKSA-N 2 1 343.515 3.093 20 0 EGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000569684251 459492471 /nfs/dbraw/zinc/49/24/71/459492471.db2.gz MCLZGCYIMPMVPJ-FYINFDKHSA-N 2 1 334.467 3.229 20 0 EGADMP CN(CCC[N@@H+](C)Cc1ccc(C(F)(F)F)s1)CC[NH+](C)C ZINC000569742550 459502959 /nfs/dbraw/zinc/50/29/59/459502959.db2.gz VBQKWJJJAJQNKL-UHFFFAOYSA-N 2 1 337.455 3.082 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C[C@H]1C ZINC000596093650 459517317 /nfs/dbraw/zinc/51/73/17/459517317.db2.gz CUHMZBXPXTYAIU-OQIJWPOYSA-N 2 1 336.520 3.066 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000497317571 459526840 /nfs/dbraw/zinc/52/68/40/459526840.db2.gz YJQIKPRTLJGXKM-ULQDDVLXSA-N 2 1 339.524 3.096 20 0 EGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@@H]3C[C@H]3C)CC2)c1C ZINC000583408527 459533199 /nfs/dbraw/zinc/53/31/99/459533199.db2.gz BBPABBSDRMLKIC-PBHICJAKSA-N 2 1 331.504 3.259 20 0 EGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@@H]3C[C@H]3C)CC2)c1C ZINC000583408527 459533204 /nfs/dbraw/zinc/53/32/04/459533204.db2.gz BBPABBSDRMLKIC-PBHICJAKSA-N 2 1 331.504 3.259 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1F ZINC000542530089 459567675 /nfs/dbraw/zinc/56/76/75/459567675.db2.gz DKGHXOYOAZWXMY-CVEARBPZSA-N 2 1 347.478 3.315 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1F ZINC000542530089 459567680 /nfs/dbraw/zinc/56/76/80/459567680.db2.gz DKGHXOYOAZWXMY-CVEARBPZSA-N 2 1 347.478 3.315 20 0 EGADMP C[C@@H]([NH2+]CC(=O)NC1CCCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529357 459567847 /nfs/dbraw/zinc/56/78/47/459567847.db2.gz YZLYDOYLEPDDPP-IAGOWNOFSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@@H]([NH2+]CC(=O)NC1CCCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529357 459567853 /nfs/dbraw/zinc/56/78/53/459567853.db2.gz YZLYDOYLEPDDPP-IAGOWNOFSA-N 2 1 335.536 3.068 20 0 EGADMP Fc1cccc(-c2noc([C@@H]3CCC[N@@H+](CC[C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000562836214 459657722 /nfs/dbraw/zinc/65/77/22/459657722.db2.gz XKVPSBBJGWRAEX-GDBMZVCRSA-N 2 1 344.434 3.055 20 0 EGADMP Cc1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1F ZINC000596619867 459701693 /nfs/dbraw/zinc/70/16/93/459701693.db2.gz NASSOZPPSGEXJB-GOSISDBHSA-N 2 1 347.503 3.274 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000563036066 459701676 /nfs/dbraw/zinc/70/16/76/459701676.db2.gz ALIQCGSOYNRQTA-FUHWJXTLSA-N 2 1 331.504 3.093 20 0 EGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(C(F)(F)F)c1 ZINC000527715026 459711425 /nfs/dbraw/zinc/71/14/25/459711425.db2.gz CWGDQCBHKIFCGX-GOOCMWNKSA-N 2 1 328.378 3.429 20 0 EGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(C(F)(F)F)c1 ZINC000527715026 459711431 /nfs/dbraw/zinc/71/14/31/459711431.db2.gz CWGDQCBHKIFCGX-GOOCMWNKSA-N 2 1 328.378 3.429 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527720868 459713919 /nfs/dbraw/zinc/71/39/19/459713919.db2.gz QQRPREXHWKKHNC-NSHDSACASA-N 2 1 346.700 3.319 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@@H]([NH3+])C[C@@H]3C)CCC2)c1 ZINC000574050185 459774258 /nfs/dbraw/zinc/77/42/58/459774258.db2.gz CXVVJWVQQFDZRS-FUHWJXTLSA-N 2 1 332.488 3.194 20 0 EGADMP C[C@H]([NH2+][C@H]1Cc2ccccc2NC1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000528003134 459793067 /nfs/dbraw/zinc/79/30/67/459793067.db2.gz UVPCAIBIJKXAOT-LRQRDZAKSA-N 2 1 349.478 3.050 20 0 EGADMP C[C@H]([NH2+][C@H]1Cc2ccccc2NC1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528003134 459793073 /nfs/dbraw/zinc/79/30/73/459793073.db2.gz UVPCAIBIJKXAOT-LRQRDZAKSA-N 2 1 349.478 3.050 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+]C[C@](C)(O)C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000566115450 459808844 /nfs/dbraw/zinc/80/88/44/459808844.db2.gz JGJSHDHPHDYIDA-OIISXLGYSA-N 2 1 344.421 3.190 20 0 EGADMP CC(C)c1ccc(C[C@@H]2CC[N@@H+](C[C@@H](O)CN(C)C3CC3)C2)cc1 ZINC000574725721 459860553 /nfs/dbraw/zinc/86/05/53/459860553.db2.gz PJSIQWKVYZMTLY-RXVVDRJESA-N 2 1 330.516 3.130 20 0 EGADMP CC(C)c1ccc(C[C@@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000574725721 459860560 /nfs/dbraw/zinc/86/05/60/459860560.db2.gz PJSIQWKVYZMTLY-RXVVDRJESA-N 2 1 330.516 3.130 20 0 EGADMP CC(C)c1ccc(C[C@@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000574725721 459860567 /nfs/dbraw/zinc/86/05/67/459860567.db2.gz PJSIQWKVYZMTLY-RXVVDRJESA-N 2 1 330.516 3.130 20 0 EGADMP CC(C)c1ccc(C[C@@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000574725721 459860572 /nfs/dbraw/zinc/86/05/72/459860572.db2.gz PJSIQWKVYZMTLY-RXVVDRJESA-N 2 1 330.516 3.130 20 0 EGADMP CC(C)c1ccc(C[C@@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000574725721 459860580 /nfs/dbraw/zinc/86/05/80/459860580.db2.gz PJSIQWKVYZMTLY-RXVVDRJESA-N 2 1 330.516 3.130 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCCc3cccc(Cl)c3)C2)CC1 ZINC000598588136 459953997 /nfs/dbraw/zinc/95/39/97/459953997.db2.gz HUWKBSGGTIPANF-FQEVSTJZSA-N 2 1 349.950 3.375 20 0 EGADMP COC(=O)c1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)n2c1CCCC2 ZINC000598631882 459969924 /nfs/dbraw/zinc/96/99/24/459969924.db2.gz OPAVFARJHIKMDX-UHFFFAOYSA-N 2 1 347.503 3.010 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621655414 459997356 /nfs/dbraw/zinc/99/73/56/459997356.db2.gz MQVMHOAFFSXADF-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP CCOC(=O)C1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602620646 460026551 /nfs/dbraw/zinc/02/65/51/460026551.db2.gz ZIIHWORLJUCOLY-IEBWSBKVSA-N 2 1 342.483 3.287 20 0 EGADMP CCOC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602620646 460026558 /nfs/dbraw/zinc/02/65/58/460026558.db2.gz ZIIHWORLJUCOLY-IEBWSBKVSA-N 2 1 342.483 3.287 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC000621764976 460057313 /nfs/dbraw/zinc/05/73/13/460057313.db2.gz PLGLAXPSAQDVJP-QUCCMNQESA-N 2 1 341.499 3.196 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC000621764974 460057856 /nfs/dbraw/zinc/05/78/56/460057856.db2.gz PLGLAXPSAQDVJP-AZUAARDMSA-N 2 1 341.499 3.196 20 0 EGADMP C[C@@H]1[C@@H](NC2CC[NH+](CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000576134272 460077843 /nfs/dbraw/zinc/07/78/43/460077843.db2.gz BHGMMIGSDDGEPS-UTKZUKDTSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCN1Cc1ccccc1 ZINC000576134272 460077850 /nfs/dbraw/zinc/07/78/50/460077850.db2.gz BHGMMIGSDDGEPS-UTKZUKDTSA-N 2 1 327.516 3.113 20 0 EGADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH+](C3CCCC3)C2)C[C@H]1c1ccccc1 ZINC000576364418 460126929 /nfs/dbraw/zinc/12/69/29/460126929.db2.gz GPGZNCAQBZFGFM-ZJOUEHCJSA-N 2 1 327.516 3.428 20 0 EGADMP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C3CCCC3)C2)C[C@H]1c1ccccc1 ZINC000576364418 460126937 /nfs/dbraw/zinc/12/69/37/460126937.db2.gz GPGZNCAQBZFGFM-ZJOUEHCJSA-N 2 1 327.516 3.428 20 0 EGADMP C[NH+]1CC[C@H](N[C@H]2CC[N@H+](C3CCCC3)C2)C[C@H]1c1ccccc1 ZINC000576364418 460126940 /nfs/dbraw/zinc/12/69/40/460126940.db2.gz GPGZNCAQBZFGFM-ZJOUEHCJSA-N 2 1 327.516 3.428 20 0 EGADMP COC(=O)CC1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000599022414 460129262 /nfs/dbraw/zinc/12/92/62/460129262.db2.gz MPMRGQSOPRYXEV-UHFFFAOYSA-N 2 1 344.499 3.363 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCC(CC(=O)OC)CC2)c1 ZINC000599025534 460131023 /nfs/dbraw/zinc/13/10/23/460131023.db2.gz BOGMLIWBKFJWJQ-UHFFFAOYSA-N 2 1 332.488 3.350 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000602951069 460198983 /nfs/dbraw/zinc/19/89/83/460198983.db2.gz JSAHCMGISUQWRR-FQEVSTJZSA-N 2 1 343.515 3.163 20 0 EGADMP CCOCC[N@H+](CCCc1c[nH+]cn1C)[C@H]1CCc2ccccc21 ZINC000625978013 460323306 /nfs/dbraw/zinc/32/33/06/460323306.db2.gz CVAFHTJLTXIQPT-FQEVSTJZSA-N 2 1 327.472 3.379 20 0 EGADMP CCOCC[N@@H+](CCCc1c[nH+]cn1C)[C@H]1CCc2ccccc21 ZINC000625978013 460323312 /nfs/dbraw/zinc/32/33/12/460323312.db2.gz CVAFHTJLTXIQPT-FQEVSTJZSA-N 2 1 327.472 3.379 20 0 EGADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626101398 460371047 /nfs/dbraw/zinc/37/10/47/460371047.db2.gz RKOFHWDHPHGHAC-JKSUJKDBSA-N 2 1 331.287 3.491 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626101398 460371051 /nfs/dbraw/zinc/37/10/51/460371051.db2.gz RKOFHWDHPHGHAC-JKSUJKDBSA-N 2 1 331.287 3.491 20 0 EGADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCCC1=CCCCC1 ZINC000604773425 460477363 /nfs/dbraw/zinc/47/73/63/460477363.db2.gz OCJOZISRUASPNY-SJLPKXTDSA-N 2 1 337.552 3.338 20 0 EGADMP CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000619971977 460503176 /nfs/dbraw/zinc/50/31/76/460503176.db2.gz OPADHOPUPNYUDX-OAQYLSRUSA-N 2 1 339.483 3.001 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(C)c(Br)cn1 ZINC000623429411 460543971 /nfs/dbraw/zinc/54/39/71/460543971.db2.gz CDYFNIFFKGQDNN-UHFFFAOYSA-N 2 1 337.265 3.227 20 0 EGADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535260 460799627 /nfs/dbraw/zinc/79/96/27/460799627.db2.gz BZKDMTFQDGICCN-JTNHKYCSSA-N 2 1 329.257 3.249 20 0 EGADMP CC(=O)N1CC[C@@H](NC[C@@H]2CC[N@@H+]2C2CCCCC2)c2ccccc21 ZINC000624078153 460848522 /nfs/dbraw/zinc/84/85/22/460848522.db2.gz UPEFDIKLILOZER-AZUAARDMSA-N 2 1 341.499 3.481 20 0 EGADMP CC1(C)Cc2cc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)ccc2O1 ZINC000629655423 460848894 /nfs/dbraw/zinc/84/88/94/460848894.db2.gz KQDDDDUSNUGGBA-HUUCEWRRSA-N 2 1 342.405 3.359 20 0 EGADMP CC1(C)Cc2cc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)ccc2O1 ZINC000629655423 460848899 /nfs/dbraw/zinc/84/88/99/460848899.db2.gz KQDDDDUSNUGGBA-HUUCEWRRSA-N 2 1 342.405 3.359 20 0 EGADMP C[N@@H+](CCOCC[NH3+])Cc1cccc(OCc2ccccc2Cl)c1 ZINC000629662440 460854925 /nfs/dbraw/zinc/85/49/25/460854925.db2.gz FNDHMTWSKCQIMR-UHFFFAOYSA-N 2 1 348.874 3.326 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000624121690 460870217 /nfs/dbraw/zinc/87/02/17/460870217.db2.gz BBIOELVFPVPLRA-HIFRSBDPSA-N 2 1 325.522 3.023 20 0 EGADMP C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624121765 460871526 /nfs/dbraw/zinc/87/15/26/460871526.db2.gz CRWKMFSINITCQL-TYPHKJRUSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](NC[C@H]1CCCC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624121765 460871530 /nfs/dbraw/zinc/87/15/30/460871530.db2.gz CRWKMFSINITCQL-TYPHKJRUSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](NC[C@H]1CCCC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624121765 460871533 /nfs/dbraw/zinc/87/15/33/460871533.db2.gz CRWKMFSINITCQL-TYPHKJRUSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624121765 460871535 /nfs/dbraw/zinc/87/15/35/460871535.db2.gz CRWKMFSINITCQL-TYPHKJRUSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624121765 460871538 /nfs/dbraw/zinc/87/15/38/460871538.db2.gz CRWKMFSINITCQL-TYPHKJRUSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624121765 460871542 /nfs/dbraw/zinc/87/15/42/460871542.db2.gz CRWKMFSINITCQL-TYPHKJRUSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624121765 460871545 /nfs/dbraw/zinc/87/15/45/460871545.db2.gz CRWKMFSINITCQL-TYPHKJRUSA-N 3 1 329.532 3.219 20 0 EGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624180367 460898553 /nfs/dbraw/zinc/89/85/53/460898553.db2.gz JPWVVNLFYLDTOF-KRWDZBQOSA-N 2 1 345.462 3.001 20 0 EGADMP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@H+]3C3CCCC3)CC2)CC1 ZINC000635726385 460899774 /nfs/dbraw/zinc/89/97/74/460899774.db2.gz BFFCVHGECZSKPZ-QLOJAFMTSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[NH+](C)C2CCC2)cc1 ZINC000629948761 460969013 /nfs/dbraw/zinc/96/90/13/460969013.db2.gz IPMNWCRXWCSKNR-INIZCTEOSA-N 2 1 329.488 3.484 20 0 EGADMP Cc1cccc(C)c1OCCC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348983 461141690 /nfs/dbraw/zinc/14/16/90/461141690.db2.gz XXJMVRNHRSBRRY-XUVXKRRUSA-N 2 1 346.515 3.291 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)no3)C2)C1 ZINC000652348247 461143165 /nfs/dbraw/zinc/14/31/65/461143165.db2.gz YQVIOHJYPCFXLP-MBOZVWFJSA-N 2 1 341.455 3.060 20 0 EGADMP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])co2)cc1 ZINC000652353804 461147648 /nfs/dbraw/zinc/14/76/48/461147648.db2.gz DJWLYAYAVMRSRZ-KDOFPFPSSA-N 2 1 329.444 3.300 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])co2)cc1 ZINC000652353804 461147658 /nfs/dbraw/zinc/14/76/58/461147658.db2.gz DJWLYAYAVMRSRZ-KDOFPFPSSA-N 2 1 329.444 3.300 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H](c2ccsc2)O1 ZINC000662257152 461148353 /nfs/dbraw/zinc/14/83/53/461148353.db2.gz NLXMXGDBGNICFZ-AUUYWEPGSA-N 2 1 328.481 3.356 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H](c2ccsc2)O1 ZINC000662257152 461148359 /nfs/dbraw/zinc/14/83/59/461148359.db2.gz NLXMXGDBGNICFZ-AUUYWEPGSA-N 2 1 328.481 3.356 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)[C@@H]1CC[NH3+] ZINC000652354739 461149655 /nfs/dbraw/zinc/14/96/55/461149655.db2.gz GWSJHSTXZFMCFI-CZUORRHYSA-N 2 1 348.878 3.382 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCc2nc(-c3ccccc3)no2)[C@@H]1CC[NH3+] ZINC000652354184 461150693 /nfs/dbraw/zinc/15/06/93/461150693.db2.gz PEQKABXQMRMPCR-NVXWUHKLSA-N 2 1 328.460 3.119 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)[C@@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000637955792 461150641 /nfs/dbraw/zinc/15/06/41/461150641.db2.gz NHMLDFDEOXAREC-GOSISDBHSA-N 2 1 332.488 3.497 20 0 EGADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1CCCN(c2ccccc2)C1 ZINC000662265007 461154081 /nfs/dbraw/zinc/15/40/81/461154081.db2.gz TUMQZEJBKKYGBI-NRFANRHFSA-N 2 1 335.495 3.433 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000668172330 461156021 /nfs/dbraw/zinc/15/60/21/461156021.db2.gz LDUANFGXKZWUAT-ILZDJORESA-N 2 1 332.488 3.016 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2coc(-c3cccs3)n2)C1 ZINC000652363050 461156805 /nfs/dbraw/zinc/15/68/05/461156805.db2.gz WIXSKPZTUVHPLL-BMFZPTHFSA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2coc(-c3cccs3)n2)C1 ZINC000652363050 461156811 /nfs/dbraw/zinc/15/68/11/461156811.db2.gz WIXSKPZTUVHPLL-BMFZPTHFSA-N 2 1 347.484 3.264 20 0 EGADMP Cc1nnsc1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000662270345 461159620 /nfs/dbraw/zinc/15/96/20/461159620.db2.gz JTIYCFLUXIIANE-IAGOWNOFSA-N 2 1 330.501 3.019 20 0 EGADMP Cc1nnsc1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000662270345 461159627 /nfs/dbraw/zinc/15/96/27/461159627.db2.gz JTIYCFLUXIIANE-IAGOWNOFSA-N 2 1 330.501 3.019 20 0 EGADMP Fc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000662273788 461161144 /nfs/dbraw/zinc/16/11/44/461161144.db2.gz PDLXJRDHGYASBQ-OLZOCXBDSA-N 2 1 328.378 3.249 20 0 EGADMP Fc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000662273787 461161287 /nfs/dbraw/zinc/16/12/87/461161287.db2.gz PDLXJRDHGYASBQ-CHWSQXEVSA-N 2 1 328.378 3.249 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC[C@@H]2CCc3ccccc32)C1 ZINC000662284440 461165227 /nfs/dbraw/zinc/16/52/27/461165227.db2.gz NHCVAVNVQGOQJM-ZSXPUABSSA-N 2 1 328.500 3.467 20 0 EGADMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1Cl ZINC000662283759 461166461 /nfs/dbraw/zinc/16/64/61/461166461.db2.gz KMUABLDALMZSTI-UXLLHSPISA-N 2 1 338.879 3.209 20 0 EGADMP Fc1ccc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000662290760 461167467 /nfs/dbraw/zinc/16/74/67/461167467.db2.gz JQLAIHVNRNGAAO-INIZCTEOSA-N 2 1 344.434 3.087 20 0 EGADMP Cc1cc(C)c(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(C)c1 ZINC000662290479 461168623 /nfs/dbraw/zinc/16/86/23/461168623.db2.gz VTUBMTRPENCERI-IBGZPJMESA-N 2 1 343.515 3.262 20 0 EGADMP Cc1cncc(CC[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000649552035 461170981 /nfs/dbraw/zinc/17/09/81/461170981.db2.gz UXIMMDZSISIIDQ-GOSISDBHSA-N 2 1 330.520 3.304 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000662447069 461247245 /nfs/dbraw/zinc/24/72/45/461247245.db2.gz NYINDJUFWZGJPJ-IRXDYDNUSA-N 2 1 347.503 3.029 20 0 EGADMP OCCCCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000638120516 461254253 /nfs/dbraw/zinc/25/42/53/461254253.db2.gz FDCOHIBHJBTSQA-IBGZPJMESA-N 2 1 346.515 3.146 20 0 EGADMP OCCCCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000638120516 461254264 /nfs/dbraw/zinc/25/42/64/461254264.db2.gz FDCOHIBHJBTSQA-IBGZPJMESA-N 2 1 346.515 3.146 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@H]3[C@H](CCC[NH+]3C)C1)CC2 ZINC000638178577 461290262 /nfs/dbraw/zinc/29/02/62/461290262.db2.gz ORFAABHEPLWGJV-BPQIPLTHSA-N 2 1 330.472 3.107 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@H]3[C@H](CCC[N@@H+]3C)C1)CC2 ZINC000638178577 461290270 /nfs/dbraw/zinc/29/02/70/461290270.db2.gz ORFAABHEPLWGJV-BPQIPLTHSA-N 2 1 330.472 3.107 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@H]3[C@H](CCC[N@H+]3C)C1)CC2 ZINC000638178577 461290274 /nfs/dbraw/zinc/29/02/74/461290274.db2.gz ORFAABHEPLWGJV-BPQIPLTHSA-N 2 1 330.472 3.107 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H](CN(C)c3[nH+]cnc4[nH]ccc43)C2)s1 ZINC000641647485 461305143 /nfs/dbraw/zinc/30/51/43/461305143.db2.gz VPMWIEZEMFQKIW-CQSZACIVSA-N 2 1 341.484 3.286 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)c3[nH+]cnc4[nH]ccc43)C2)s1 ZINC000641647485 461305149 /nfs/dbraw/zinc/30/51/49/461305149.db2.gz VPMWIEZEMFQKIW-CQSZACIVSA-N 2 1 341.484 3.286 20 0 EGADMP CC[NH+]1CCC(N[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638292063 461350395 /nfs/dbraw/zinc/35/03/95/461350395.db2.gz UESMVWCHWJKXOD-TZIWHRDSSA-N 2 1 327.516 3.428 20 0 EGADMP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000633953426 461352285 /nfs/dbraw/zinc/35/22/85/461352285.db2.gz JDNCMWUJUWHDHB-FGTMMUONSA-N 2 1 335.536 3.115 20 0 EGADMP Clc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000655679541 461358227 /nfs/dbraw/zinc/35/82/27/461358227.db2.gz BRVUUTWSSXGBBA-MRXNPFEDSA-N 2 1 343.298 3.379 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C[C@H]1C ZINC000662743200 461364781 /nfs/dbraw/zinc/36/47/81/461364781.db2.gz LAKIGYAPAQFLAO-LZQZEXGQSA-N 2 1 343.515 3.010 20 0 EGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3Cl)nc2C)C1 ZINC000655710948 461380943 /nfs/dbraw/zinc/38/09/43/461380943.db2.gz DRGXVDPANWFGMM-HNNXBMFYSA-N 2 1 332.879 3.266 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3Cl)nc2C)C1 ZINC000655710948 461380948 /nfs/dbraw/zinc/38/09/48/461380948.db2.gz DRGXVDPANWFGMM-HNNXBMFYSA-N 2 1 332.879 3.266 20 0 EGADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000641806991 461383087 /nfs/dbraw/zinc/38/30/87/461383087.db2.gz TWKVALCQEADNFG-MSOLQXFVSA-N 2 1 339.439 3.133 20 0 EGADMP CCCOc1cccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655734376 461403944 /nfs/dbraw/zinc/40/39/44/461403944.db2.gz HCIZAJMMYDEHDN-OAQYLSRUSA-N 2 1 346.515 3.251 20 0 EGADMP CCO[C@H]1CCC[NH+](CCC(C)CC[N@@H+]2CCC[C@H](OCC)C2)C1 ZINC000662943469 461415311 /nfs/dbraw/zinc/41/53/11/461415311.db2.gz OTOPJSSIQQJNMH-PMACEKPBSA-N 2 1 340.552 3.405 20 0 EGADMP Fc1ccc(CCCCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655756274 461423053 /nfs/dbraw/zinc/42/30/53/461423053.db2.gz PYJIUHJFRWQXFA-HXUWFJFHSA-N 2 1 334.479 3.381 20 0 EGADMP CC(C)c1ccc(O[C@H](C)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655769317 461435884 /nfs/dbraw/zinc/43/58/84/461435884.db2.gz XQXYPMCBOIOMHT-YLJYHZDGSA-N 2 1 346.515 3.420 20 0 EGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000655790923 461449092 /nfs/dbraw/zinc/44/90/92/461449092.db2.gz DKGOPJNXQQESEC-UHFFFAOYSA-N 2 1 326.488 3.453 20 0 EGADMP C[C@H](N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccn(C)n1 ZINC000666127163 461463246 /nfs/dbraw/zinc/46/32/46/461463246.db2.gz HWEKWMCTCRIQLD-XFIJJGBISA-N 2 1 338.499 3.371 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccn(C)n1 ZINC000666127163 461463252 /nfs/dbraw/zinc/46/32/52/461463252.db2.gz HWEKWMCTCRIQLD-XFIJJGBISA-N 2 1 338.499 3.371 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccn(C)n1 ZINC000666127163 461463255 /nfs/dbraw/zinc/46/32/55/461463255.db2.gz HWEKWMCTCRIQLD-XFIJJGBISA-N 2 1 338.499 3.371 20 0 EGADMP Cc1noc(CCC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000638576036 461490905 /nfs/dbraw/zinc/49/09/05/461490905.db2.gz MGJPLUJGVNQBLB-HKUYNNGSSA-N 2 1 340.471 3.268 20 0 EGADMP Cc1noc(CCC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000638576036 461490914 /nfs/dbraw/zinc/49/09/14/461490914.db2.gz MGJPLUJGVNQBLB-HKUYNNGSSA-N 2 1 340.471 3.268 20 0 EGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3c4ccccc4C[C@@H]3O)CC2)C1 ZINC000655840503 461492062 /nfs/dbraw/zinc/49/20/62/461492062.db2.gz XZPJFHRLSHYLNA-NXXWWENFSA-N 2 1 328.500 3.277 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631042413 461496339 /nfs/dbraw/zinc/49/63/39/461496339.db2.gz QPEZMOUUNCFTMH-UHFFFAOYSA-N 2 1 343.490 3.486 20 0 EGADMP c1ccc(C[NH+]2CCC(N[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000655850457 461498207 /nfs/dbraw/zinc/49/82/07/461498207.db2.gz VSSFQEAGCPNHKV-LEWJYISDSA-N 2 1 327.516 3.258 20 0 EGADMP c1ccc(C[NH+]2CCC(N[C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000655850457 461498209 /nfs/dbraw/zinc/49/82/09/461498209.db2.gz VSSFQEAGCPNHKV-LEWJYISDSA-N 2 1 327.516 3.258 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CCCc2cnn(C)c2)CC1 ZINC000638611539 461505894 /nfs/dbraw/zinc/50/58/94/461505894.db2.gz HQIYGNAVJICWOH-KRWDZBQOSA-N 2 1 326.488 3.168 20 0 EGADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000638671419 461529319 /nfs/dbraw/zinc/52/93/19/461529319.db2.gz PPHBQNOGIARDEU-OAFZBRQQSA-N 2 1 349.544 3.168 20 0 EGADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000638671419 461529327 /nfs/dbraw/zinc/52/93/27/461529327.db2.gz PPHBQNOGIARDEU-OAFZBRQQSA-N 2 1 349.544 3.168 20 0 EGADMP Clc1ccccc1Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000642630930 461541418 /nfs/dbraw/zinc/54/14/18/461541418.db2.gz ROMRACSIWXDCIH-MSOLQXFVSA-N 2 1 344.890 3.301 20 0 EGADMP Clc1ccccc1Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000642630930 461541426 /nfs/dbraw/zinc/54/14/26/461541426.db2.gz ROMRACSIWXDCIH-MSOLQXFVSA-N 2 1 344.890 3.301 20 0 EGADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(=O)[nH]c2)C[N@H+]1Cc1ccccc1 ZINC000631099168 461548509 /nfs/dbraw/zinc/54/85/09/461548509.db2.gz GEKFRAYEWAZBRB-WMZOPIPTSA-N 2 1 325.456 3.178 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000653201004 461555455 /nfs/dbraw/zinc/55/54/55/461555455.db2.gz WVQBUCQXOKILIE-XLIONFOSSA-N 2 1 345.531 3.483 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC[C@@H]1CCc2ccccc21 ZINC000660115555 461589453 /nfs/dbraw/zinc/58/94/53/461589453.db2.gz BIBNDFCXSGHXFZ-UYWIDEMCSA-N 2 1 328.500 3.290 20 0 EGADMP CC(C)c1cccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000660141988 461607423 /nfs/dbraw/zinc/60/74/23/461607423.db2.gz ZTIWXMYEZHICAD-NRFANRHFSA-N 2 1 329.532 3.410 20 0 EGADMP CC(C)n1cncc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631193034 461632288 /nfs/dbraw/zinc/63/22/88/461632288.db2.gz CAKWREBOAOBXQQ-HKUYNNGSSA-N 2 1 326.488 3.322 20 0 EGADMP CC(C)n1cncc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631193034 461632296 /nfs/dbraw/zinc/63/22/96/461632296.db2.gz CAKWREBOAOBXQQ-HKUYNNGSSA-N 2 1 326.488 3.322 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1c(C2CC2)cnn1C ZINC000631192861 461632781 /nfs/dbraw/zinc/63/27/81/461632781.db2.gz AUZRKKHIFNESJZ-VQIMIIECSA-N 2 1 338.499 3.155 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1c(C2CC2)cnn1C ZINC000631192861 461632782 /nfs/dbraw/zinc/63/27/82/461632782.db2.gz AUZRKKHIFNESJZ-VQIMIIECSA-N 2 1 338.499 3.155 20 0 EGADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)C2 ZINC000663464643 461653001 /nfs/dbraw/zinc/65/30/01/461653001.db2.gz FOAIDVYTNSVGBB-HKUYNNGSSA-N 2 1 328.500 3.264 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(-n2cncn2)cc1 ZINC000663469605 461660455 /nfs/dbraw/zinc/66/04/55/461660455.db2.gz QYKDINSKPNDGQS-WMZOPIPTSA-N 2 1 339.487 3.040 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000663471769 461661477 /nfs/dbraw/zinc/66/14/77/461661477.db2.gz XWVHOJOECIJPOL-RDJZCZTQSA-N 2 1 330.472 3.230 20 0 EGADMP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639075461 461709774 /nfs/dbraw/zinc/70/97/74/461709774.db2.gz JPYAVUXRNNQXTI-OFCAXSSNSA-N 2 1 328.500 3.495 20 0 EGADMP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639075461 461709780 /nfs/dbraw/zinc/70/97/80/461709780.db2.gz JPYAVUXRNNQXTI-OFCAXSSNSA-N 2 1 328.500 3.495 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CCCC13CC[NH+](C)CC3)CC2 ZINC000639082331 461715977 /nfs/dbraw/zinc/71/59/77/461715977.db2.gz PPQPQOVBNIVISI-QGZVFWFLSA-N 2 1 330.472 3.251 20 0 EGADMP Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643454122 461731083 /nfs/dbraw/zinc/73/10/83/461731083.db2.gz WYGYVAPBRVWFAD-MOFZMDFASA-N 2 1 327.428 3.198 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000647493803 461734326 /nfs/dbraw/zinc/73/43/26/461734326.db2.gz SARPTOIMJHXYRN-SFHVURJKSA-N 2 1 328.431 3.446 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000647493803 461734334 /nfs/dbraw/zinc/73/43/34/461734334.db2.gz SARPTOIMJHXYRN-SFHVURJKSA-N 2 1 328.431 3.446 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@H]1[NH3+] ZINC000647497796 461736377 /nfs/dbraw/zinc/73/63/77/461736377.db2.gz VYEOYZKZTYYJGK-UYAOXDASSA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC[C@H]1[NH3+] ZINC000647498562 461736669 /nfs/dbraw/zinc/73/66/69/461736669.db2.gz KDKRYPZULDTQPY-HNAYVOBHSA-N 2 1 330.451 3.187 20 0 EGADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CCO2 ZINC000643482388 461743630 /nfs/dbraw/zinc/74/36/30/461743630.db2.gz FXNYDKZFVYQIIX-NXWXRZEISA-N 2 1 330.472 3.419 20 0 EGADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000666664797 461747615 /nfs/dbraw/zinc/74/76/15/461747615.db2.gz MSFJBSUMXJLFRN-WBVHZDCISA-N 2 1 345.491 3.053 20 0 EGADMP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543310 461756204 /nfs/dbraw/zinc/75/62/04/461756204.db2.gz KXIKVPVFYDJJGL-HOTGVXAUSA-N 2 1 342.462 3.427 20 0 EGADMP c1nc([C@@H]2CCCO2)sc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543216 461757085 /nfs/dbraw/zinc/75/70/85/461757085.db2.gz JMJSTTVRWHPOCY-ZOBUZTSGSA-N 2 1 335.517 3.206 20 0 EGADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cnc21 ZINC000647543954 461759746 /nfs/dbraw/zinc/75/97/46/461759746.db2.gz UUPSJPGMSDHZOP-QZTJIDSGSA-N 2 1 341.503 3.224 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CC[NH2+]C4(CCC4)C2)C3)cc1 ZINC000643547834 461761232 /nfs/dbraw/zinc/76/12/32/461761232.db2.gz JOPJVHOEGNHNDG-XSDIEEQYSA-N 2 1 339.527 3.446 20 0 EGADMP Cc1cccc2nc(CC[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)cn21 ZINC000647553493 461764894 /nfs/dbraw/zinc/76/48/94/461764894.db2.gz BGJAJWBSULHZCE-QUCCMNQESA-N 2 1 334.467 3.268 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@H](C3CC[NH+](C)CC3)C1)CC2 ZINC000639177034 461782904 /nfs/dbraw/zinc/78/29/04/461782904.db2.gz OMKXUKMOJOAITR-PKOBYXMFSA-N 2 1 344.499 3.355 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CCC[C@H]3C[NH+](C)CC[C@@H]31)CC2 ZINC000639177247 461783376 /nfs/dbraw/zinc/78/33/76/461783376.db2.gz BXEKWRWSXRUJMH-RYQLBKOJSA-N 2 1 330.472 3.107 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CCC[C@H]3C[N@H+](C)CC[C@@H]31)CC2 ZINC000639177247 461783383 /nfs/dbraw/zinc/78/33/83/461783383.db2.gz BXEKWRWSXRUJMH-RYQLBKOJSA-N 2 1 330.472 3.107 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CCC[C@H]3C[N@@H+](C)CC[C@@H]31)CC2 ZINC000639177247 461783393 /nfs/dbraw/zinc/78/33/93/461783393.db2.gz BXEKWRWSXRUJMH-RYQLBKOJSA-N 2 1 330.472 3.107 20 0 EGADMP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639247185 461825286 /nfs/dbraw/zinc/82/52/86/461825286.db2.gz TUIQQZJMSIIUMW-OZOXKJRCSA-N 2 1 338.499 3.309 20 0 EGADMP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639247185 461825296 /nfs/dbraw/zinc/82/52/96/461825296.db2.gz TUIQQZJMSIIUMW-OZOXKJRCSA-N 2 1 338.499 3.309 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647789675 461835581 /nfs/dbraw/zinc/83/55/81/461835581.db2.gz JCOAENOCAPNRRW-ZJMDRBKZSA-N 3 1 341.543 3.121 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647789675 461835587 /nfs/dbraw/zinc/83/55/87/461835587.db2.gz JCOAENOCAPNRRW-ZJMDRBKZSA-N 2 1 341.543 3.121 20 0 EGADMP COc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C(C)(C)C ZINC000639286964 461845816 /nfs/dbraw/zinc/84/58/16/461845816.db2.gz GQPRFSJLGXCVHR-UHFFFAOYSA-N 2 1 346.515 3.289 20 0 EGADMP COc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C(C)(C)C ZINC000639286964 461845819 /nfs/dbraw/zinc/84/58/19/461845819.db2.gz GQPRFSJLGXCVHR-UHFFFAOYSA-N 2 1 346.515 3.289 20 0 EGADMP COc1ncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000639360260 461884288 /nfs/dbraw/zinc/88/42/88/461884288.db2.gz UHLDOVNMMSPIQW-HOCLYGCPSA-N 2 1 331.485 3.009 20 0 EGADMP COc1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000639360260 461884291 /nfs/dbraw/zinc/88/42/91/461884291.db2.gz UHLDOVNMMSPIQW-HOCLYGCPSA-N 2 1 331.485 3.009 20 0 EGADMP CC[C@@H]1C[N@@H+](CCCc2nc(-c3ccc(C)c(F)c3)no2)CC[C@H]1[NH3+] ZINC000647937857 461893418 /nfs/dbraw/zinc/89/34/18/461893418.db2.gz DDTOQSNYTFDDHG-RHSMWYFYSA-N 2 1 346.450 3.176 20 0 EGADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647938356 461895943 /nfs/dbraw/zinc/89/59/43/461895943.db2.gz KQLBOQKYBZUVAO-CRAIPNDOSA-N 2 1 325.456 3.228 20 0 EGADMP CC1(C)Cc2cc(C[N@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)ccc2O1 ZINC000650707437 461900968 /nfs/dbraw/zinc/90/09/68/461900968.db2.gz GDZUQVWZXIXHRH-XKGZKEIXSA-N 2 1 344.499 3.118 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(OCc3ccncc3)cc1)C2 ZINC000650708515 461902794 /nfs/dbraw/zinc/90/27/94/461902794.db2.gz BEKAKATZWREDJC-FPOVZHCZSA-N 2 1 337.467 3.221 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@@H](C)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660655097 461904455 /nfs/dbraw/zinc/90/44/55/461904455.db2.gz KKRKJHYYSJJZQK-XLIONFOSSA-N 2 1 329.488 3.048 20 0 EGADMP COc1sc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1Br ZINC000666997081 461904535 /nfs/dbraw/zinc/90/45/35/461904535.db2.gz WDLJYQHJNWVCGW-SNVBAGLBSA-N 2 1 345.306 3.284 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650711741 461904993 /nfs/dbraw/zinc/90/49/93/461904993.db2.gz BWOPQQBNARMBRD-LIRRHRJNSA-N 2 1 330.451 3.269 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(OC(F)F)cc2)C1 ZINC000650721864 461912998 /nfs/dbraw/zinc/91/29/98/461912998.db2.gz DLWAXDSPOALXDJ-OIISXLGYSA-N 2 1 340.414 3.149 20 0 EGADMP CCCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650722271 461914169 /nfs/dbraw/zinc/91/41/69/461914169.db2.gz ONFCHNZSOKTERA-MISYRCLQSA-N 2 1 332.488 3.336 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Cl)c(F)c2)C1 ZINC000650723428 461914800 /nfs/dbraw/zinc/91/48/00/461914800.db2.gz NPGHWSIEPQESHN-XYPHTWIQSA-N 2 1 326.843 3.340 20 0 EGADMP Cc1ccc(OCCC[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)cc1C ZINC000660694258 461927218 /nfs/dbraw/zinc/92/72/18/461927218.db2.gz YQVLGVMORIYXKG-UHFFFAOYSA-N 2 1 348.531 3.145 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000650763286 461942177 /nfs/dbraw/zinc/94/21/77/461942177.db2.gz WYDXEDQJAHXAFY-BHDDXSALSA-N 3 1 341.543 3.266 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(-c3ccc(F)cc3)o1)CCO2 ZINC000648071649 461967725 /nfs/dbraw/zinc/96/77/25/461967725.db2.gz NDQUAXNWHVAUIS-UHFFFAOYSA-N 2 1 344.430 3.382 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(-c3ccc(F)cc3)o1)CCO2 ZINC000648071649 461967728 /nfs/dbraw/zinc/96/77/28/461967728.db2.gz NDQUAXNWHVAUIS-UHFFFAOYSA-N 2 1 344.430 3.382 20 0 EGADMP COc1ccc2ccccc2c1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071846 461968977 /nfs/dbraw/zinc/96/89/77/461968977.db2.gz XDJZHHNDKSFWQR-UHFFFAOYSA-N 2 1 340.467 3.145 20 0 EGADMP C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)Sc1ccccc1 ZINC000644579149 461994790 /nfs/dbraw/zinc/99/47/90/461994790.db2.gz OTCLPKJUPDPFLN-MJGOQNOKSA-N 2 1 344.524 3.250 20 0 EGADMP C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)Sc1ccccc1 ZINC000644579149 461994795 /nfs/dbraw/zinc/99/47/95/461994795.db2.gz OTCLPKJUPDPFLN-MJGOQNOKSA-N 2 1 344.524 3.250 20 0 EGADMP Cc1c(Br)cncc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000657294555 462023647 /nfs/dbraw/zinc/02/36/47/462023647.db2.gz SACRPAGFRCWLMJ-UHFFFAOYSA-N 2 1 326.282 3.115 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000657304905 462031579 /nfs/dbraw/zinc/03/15/79/462031579.db2.gz TURKTNVFRNJJOM-KRWDZBQOSA-N 2 1 334.504 3.310 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000657311067 462036732 /nfs/dbraw/zinc/03/67/32/462036732.db2.gz HJYDSXLLHXDVOJ-CYBMUJFWSA-N 2 1 332.414 3.183 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(COC)cs2)[C@H](C)C1 ZINC000657363771 462073072 /nfs/dbraw/zinc/07/30/72/462073072.db2.gz RULDOXIOHNCCKS-QAPCUYQASA-N 2 1 340.533 3.121 20 0 EGADMP CCc1cccc2cc(C[NH2+]C3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)oc21 ZINC000657401777 462099683 /nfs/dbraw/zinc/09/96/83/462099683.db2.gz XPRPSXSOKGLPDN-WOJBJXKFSA-N 2 1 342.483 3.463 20 0 EGADMP CC1([NH+]2CCCC2)CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000639981646 462202026 /nfs/dbraw/zinc/20/20/26/462202026.db2.gz NQUIPNGTNWMCCL-UHFFFAOYSA-N 2 1 333.451 3.105 20 0 EGADMP CCN(Cc1c[nH+]c(C)n1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667683957 462214002 /nfs/dbraw/zinc/21/40/02/462214002.db2.gz GMWITUJYXOUBEV-LJQANCHMSA-N 2 1 326.488 3.073 20 0 EGADMP CCN(Cc1c[nH+]c(C)n1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667683957 462214005 /nfs/dbraw/zinc/21/40/05/462214005.db2.gz GMWITUJYXOUBEV-LJQANCHMSA-N 2 1 326.488 3.073 20 0 EGADMP CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(C)c1 ZINC000667707165 462224626 /nfs/dbraw/zinc/22/46/26/462224626.db2.gz RSWJCJVCLGFUIZ-MISYRCLQSA-N 2 1 332.488 3.077 20 0 EGADMP CCO[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1C ZINC000648741031 462256035 /nfs/dbraw/zinc/25/60/35/462256035.db2.gz KZZVDRYYAJXTFE-WIYYLYMNSA-N 2 1 346.515 3.408 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000640099033 462257017 /nfs/dbraw/zinc/25/70/17/462257017.db2.gz HCOZTVKOMMTARY-AQNXPRMDSA-N 2 1 325.456 3.306 20 0 EGADMP [NH3+]C1(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000665248034 462367861 /nfs/dbraw/zinc/36/78/61/462367861.db2.gz NTMCGROYDKCQGU-XUVXKRRUSA-N 2 1 327.516 3.148 20 0 EGADMP Fc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000665283426 462383087 /nfs/dbraw/zinc/38/30/87/462383087.db2.gz NLLOVEZXTVJQRL-SOUVJXGZSA-N 2 1 328.378 3.437 20 0 EGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(COC[C@H]2CCCO2)c1 ZINC000665294970 462390024 /nfs/dbraw/zinc/39/00/24/462390024.db2.gz ZFECWNUBLHGYGZ-VAMGGRTRSA-N 2 1 332.488 3.132 20 0 EGADMP C[C@@H](NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1)c1cccs1 ZINC000640531184 462430996 /nfs/dbraw/zinc/43/09/96/462430996.db2.gz HETDOKTVCDNLEL-MRXNPFEDSA-N 2 1 337.533 3.123 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3ccsc3)CC2)CC1 ZINC000655059840 462468283 /nfs/dbraw/zinc/46/82/83/462468283.db2.gz QDHGFBPMINVVSA-HNNXBMFYSA-N 2 1 349.544 3.122 20 0 EGADMP COc1cccc(C2([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCC2)c1 ZINC000658323182 462478600 /nfs/dbraw/zinc/47/86/00/462478600.db2.gz ILUDPYZPLAMPNW-HXUWFJFHSA-N 2 1 344.499 3.307 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)[C@@H](C)C1 ZINC000658350243 462485525 /nfs/dbraw/zinc/48/55/25/462485525.db2.gz XCRXVQSWQJECPG-WMQCIHAUSA-N 2 1 346.515 3.202 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)[C@@H](C)C1 ZINC000658350246 462485937 /nfs/dbraw/zinc/48/59/37/462485937.db2.gz XCRXVQSWQJECPG-YYWHXJBOSA-N 2 1 346.515 3.202 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OC)c2C)[C@H](C)C1 ZINC000658352314 462487008 /nfs/dbraw/zinc/48/70/08/462487008.db2.gz HWWIWAKZHZLUIX-VQIMIIECSA-N 2 1 334.504 3.230 20 0 EGADMP COc1cc(C[NH+]2CC[C@H]3C[C@H]3C2)cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661967333 462490877 /nfs/dbraw/zinc/49/08/77/462490877.db2.gz OFXHSXBBTQYIPM-FGYAAKKASA-N 2 1 326.484 3.379 20 0 EGADMP COc1cc(C[NH+]2CC[C@@H]3C[C@@H]3C2)cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000661967333 462490883 /nfs/dbraw/zinc/49/08/83/462490883.db2.gz OFXHSXBBTQYIPM-FGYAAKKASA-N 2 1 326.484 3.379 20 0 EGADMP COc1cc(C[NH+]2CC[C@@H]3C[C@@H]3C2)cc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000661967333 462490889 /nfs/dbraw/zinc/49/08/89/462490889.db2.gz OFXHSXBBTQYIPM-FGYAAKKASA-N 2 1 326.484 3.379 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)[C@H](C)[NH3+] ZINC000649378514 462492684 /nfs/dbraw/zinc/49/26/84/462492684.db2.gz CHDLXXIVLIMJPZ-LNLFQRSKSA-N 2 1 337.552 3.109 20 0 EGADMP C[C@H](c1ccc2ccccc2c1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640992267 462536865 /nfs/dbraw/zinc/53/68/65/462536865.db2.gz SYJOLNONTDVHAI-MRXNPFEDSA-N 2 1 349.482 3.006 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000168509112 533896089 /nfs/dbraw/zinc/89/60/89/533896089.db2.gz JGSVONFGWIUOHM-RSPOEFSDSA-N 2 1 343.515 3.015 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)CC[N@H+]1C ZINC000178462500 534111980 /nfs/dbraw/zinc/11/19/80/534111980.db2.gz AXRZVIOIRZWMFV-FUHWJXTLSA-N 2 1 344.499 3.342 20 0 EGADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c(C)n1 ZINC000165304750 534750626 /nfs/dbraw/zinc/75/06/26/534750626.db2.gz AKYVZRMTANKNMY-OXQOHEQNSA-N 2 1 338.499 3.309 20 0 EGADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(C)n1 ZINC000165304750 534750632 /nfs/dbraw/zinc/75/06/32/534750632.db2.gz AKYVZRMTANKNMY-OXQOHEQNSA-N 2 1 338.499 3.309 20 0 EGADMP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H]2CCCO[C@@H]21 ZINC000181681848 527870077 /nfs/dbraw/zinc/87/00/77/527870077.db2.gz GGFRYUYCONUYQQ-BURNTYAHSA-N 2 1 342.527 3.344 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC000129307322 527882807 /nfs/dbraw/zinc/88/28/07/527882807.db2.gz CQZZZXPUFJNFQO-HIFRSBDPSA-N 2 1 330.394 3.448 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC000129307322 527882812 /nfs/dbraw/zinc/88/28/12/527882812.db2.gz CQZZZXPUFJNFQO-HIFRSBDPSA-N 2 1 330.394 3.448 20 0 EGADMP CCOc1ccc(CC[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1OCC ZINC000154901029 528425197 /nfs/dbraw/zinc/42/51/97/528425197.db2.gz QCILPDQFWAWPJC-SJLPKXTDSA-N 2 1 334.504 3.346 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000159311532 528988397 /nfs/dbraw/zinc/98/83/97/528988397.db2.gz KHYBDANQYAZGRK-INIZCTEOSA-N 2 1 342.487 3.075 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](Cc2cccc(C)c2)C2CC2)CC1 ZINC000154538588 529143392 /nfs/dbraw/zinc/14/33/92/529143392.db2.gz BGWZKUKBXZUKDM-QFIPXVFZSA-N 2 1 343.559 3.323 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000154466685 529143629 /nfs/dbraw/zinc/14/36/29/529143629.db2.gz NQHAGGFGCLRXHZ-IBGZPJMESA-N 2 1 349.494 3.047 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000186999511 529143651 /nfs/dbraw/zinc/14/36/51/529143651.db2.gz FUMJPKWHFHENIX-NRFANRHFSA-N 2 1 331.548 3.261 20 0 EGADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)CC1 ZINC000246989954 535281566 /nfs/dbraw/zinc/28/15/66/535281566.db2.gz KQRIAAGCBGEEMF-RXVVDRJESA-N 3 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCN(C)[C@@H](C)C3)c2)CC1 ZINC000246989954 535281568 /nfs/dbraw/zinc/28/15/68/535281568.db2.gz KQRIAAGCBGEEMF-RXVVDRJESA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2cccc(CN[C@H]3CC[N@H+](C)[C@@H](C)C3)c2)CC1 ZINC000246989954 535281570 /nfs/dbraw/zinc/28/15/70/535281570.db2.gz KQRIAAGCBGEEMF-RXVVDRJESA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2cccc(CN[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)CC1 ZINC000246989954 535281572 /nfs/dbraw/zinc/28/15/72/535281572.db2.gz KQRIAAGCBGEEMF-RXVVDRJESA-N 2 1 329.532 3.491 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000370495868 536355923 /nfs/dbraw/zinc/35/59/23/536355923.db2.gz GLMQLTMNMNBVQE-VQTJNVASSA-N 2 1 334.479 3.446 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(=O)N1CCCC1 ZINC000089723213 546647888 /nfs/dbraw/zinc/64/78/88/546647888.db2.gz YUFNMIOUHCOCPX-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCc2cnn(C)c2)CC1 ZINC000158886348 546931179 /nfs/dbraw/zinc/93/11/79/546931179.db2.gz NXHIXPURINLBRT-SFHVURJKSA-N 2 1 332.536 3.329 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000163270517 546970695 /nfs/dbraw/zinc/97/06/95/546970695.db2.gz VWJMKVORCSLKTL-BBTUJRGHSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000163270517 546970698 /nfs/dbraw/zinc/97/06/98/546970698.db2.gz VWJMKVORCSLKTL-BBTUJRGHSA-N 3 1 329.532 3.359 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000165288594 546983382 /nfs/dbraw/zinc/98/33/82/546983382.db2.gz RKQXEFHVTBKBIM-HXUWFJFHSA-N 3 1 329.532 3.015 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000165288594 546983384 /nfs/dbraw/zinc/98/33/84/546983384.db2.gz RKQXEFHVTBKBIM-HXUWFJFHSA-N 3 1 329.532 3.015 20 0 EGADMP Cc1ccc(-c2nc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)co2)cc1 ZINC000166441871 546989755 /nfs/dbraw/zinc/98/97/55/546989755.db2.gz UEHGSWYOYOJNIB-IEBWSBKVSA-N 2 1 325.456 3.409 20 0 EGADMP Cc1cccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000280566176 547374002 /nfs/dbraw/zinc/37/40/02/547374002.db2.gz LHEUQGKVALRRJX-CEMLEFRQSA-N 2 1 335.495 3.433 20 0 EGADMP c1cc([C@H]2CCC[N@@H+]2CCCCC[NH+]2CCC[C@H]2c2cc[nH]n2)n[nH]1 ZINC000286011107 547390522 /nfs/dbraw/zinc/39/05/22/547390522.db2.gz GWXZJGFGNDKVIS-KDURUIRLSA-N 2 1 342.491 3.277 20 0 EGADMP c1cc([C@H]2CCC[NH+]2CCCCC[N@@H+]2CCC[C@H]2c2cc[nH]n2)n[nH]1 ZINC000286011107 547390533 /nfs/dbraw/zinc/39/05/33/547390533.db2.gz GWXZJGFGNDKVIS-KDURUIRLSA-N 2 1 342.491 3.277 20 0 EGADMP c1cc([C@H]2CCC[NH+]2CCCCC[N@H+]2CCC[C@H]2c2cc[nH]n2)n[nH]1 ZINC000286011107 547390540 /nfs/dbraw/zinc/39/05/40/547390540.db2.gz GWXZJGFGNDKVIS-KDURUIRLSA-N 2 1 342.491 3.277 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000310105353 547461099 /nfs/dbraw/zinc/46/10/99/547461099.db2.gz ZVTAWAYTXSJABZ-QHAWAJNXSA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](CN[C@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000310105353 547461104 /nfs/dbraw/zinc/46/11/04/547461104.db2.gz ZVTAWAYTXSJABZ-QHAWAJNXSA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN[C@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000310105353 547461106 /nfs/dbraw/zinc/46/11/06/547461106.db2.gz ZVTAWAYTXSJABZ-QHAWAJNXSA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000310105353 547461111 /nfs/dbraw/zinc/46/11/11/547461111.db2.gz ZVTAWAYTXSJABZ-QHAWAJNXSA-N 3 1 327.516 3.115 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000310105353 547461117 /nfs/dbraw/zinc/46/11/17/547461117.db2.gz ZVTAWAYTXSJABZ-QHAWAJNXSA-N 3 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000310105353 547461123 /nfs/dbraw/zinc/46/11/23/547461123.db2.gz ZVTAWAYTXSJABZ-QHAWAJNXSA-N 3 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000310105353 547461125 /nfs/dbraw/zinc/46/11/25/547461125.db2.gz ZVTAWAYTXSJABZ-QHAWAJNXSA-N 3 1 327.516 3.115 20 0 EGADMP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000339067261 547568709 /nfs/dbraw/zinc/56/87/09/547568709.db2.gz FSUQBSSYWZWBBP-IRXDYDNUSA-N 2 1 332.488 3.198 20 0 EGADMP CCOc1cc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC ZINC000339077037 547569238 /nfs/dbraw/zinc/56/92/38/547569238.db2.gz YIFRCOMSAITQOM-MSOLQXFVSA-N 2 1 332.488 3.243 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000344767337 547613912 /nfs/dbraw/zinc/61/39/12/547613912.db2.gz HXZTUAHSEKMSMK-CVEARBPZSA-N 2 1 346.441 3.436 20 0 EGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000371251926 547797515 /nfs/dbraw/zinc/79/75/15/547797515.db2.gz RGCUTCXXFQGUKI-KZNAEPCWSA-N 2 1 332.488 3.241 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383508328 547821387 /nfs/dbraw/zinc/82/13/87/547821387.db2.gz KQZYVBBTRPMZRS-WAOWUJCRSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000383508328 547821390 /nfs/dbraw/zinc/82/13/90/547821390.db2.gz KQZYVBBTRPMZRS-WAOWUJCRSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000398106990 547836780 /nfs/dbraw/zinc/83/67/80/547836780.db2.gz MXLWDQCFMWSHAT-SDZDHKAXSA-N 2 1 327.516 3.160 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CN1Cc1ccccc1 ZINC000398106990 547836782 /nfs/dbraw/zinc/83/67/82/547836782.db2.gz MXLWDQCFMWSHAT-SDZDHKAXSA-N 2 1 327.516 3.160 20 0 EGADMP CC(C)CCO[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420911432 547879073 /nfs/dbraw/zinc/87/90/73/547879073.db2.gz GOQONVBAKFMFEU-OAQYLSRUSA-N 2 1 346.515 3.156 20 0 EGADMP CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420911432 547879079 /nfs/dbraw/zinc/87/90/79/547879079.db2.gz GOQONVBAKFMFEU-OAQYLSRUSA-N 2 1 346.515 3.156 20 0 EGADMP CO[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000441375347 547914554 /nfs/dbraw/zinc/91/45/54/547914554.db2.gz HXIRXQRACJRKKI-MKXGPGLRSA-N 2 1 326.525 3.155 20 0 EGADMP CO[C@@H]1CC[N@@H+](CCCCC[NH+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000441375347 547914557 /nfs/dbraw/zinc/91/45/57/547914557.db2.gz HXIRXQRACJRKKI-MKXGPGLRSA-N 2 1 326.525 3.155 20 0 EGADMP CO[C@@H]1CC[N@H+](CCCCC[NH+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000441375347 547914559 /nfs/dbraw/zinc/91/45/59/547914559.db2.gz HXIRXQRACJRKKI-MKXGPGLRSA-N 2 1 326.525 3.155 20 0 EGADMP C[C@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C(C)(C)C ZINC000670267184 548193720 /nfs/dbraw/zinc/19/37/20/548193720.db2.gz UXCPONJQFCJZKZ-VQIMIIECSA-N 2 1 345.531 3.156 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cn(C)cn3)cc2)C1 ZINC000673600141 548580617 /nfs/dbraw/zinc/58/06/17/548580617.db2.gz BYOJMASIQDUOKC-IAGOWNOFSA-N 2 1 326.488 3.188 20 0 EGADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cscc1Cl ZINC000673852061 548639614 /nfs/dbraw/zinc/63/96/14/548639614.db2.gz ZNNUHCDFJONFRM-UHFFFAOYSA-N 2 1 339.892 3.417 20 0 EGADMP c1ccc2c(c1)SCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882334 548996329 /nfs/dbraw/zinc/99/63/29/548996329.db2.gz QSXPYOAEZJZLIO-AEFFLSMTSA-N 2 1 332.513 3.457 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(OC)cc1 ZINC000675883199 548996345 /nfs/dbraw/zinc/99/63/45/548996345.db2.gz XSQHFXHDIHOJOQ-VQTJNVASSA-N 2 1 332.488 3.379 20 0 EGADMP CCn1ccnc1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000677129212 549214673 /nfs/dbraw/zinc/21/46/73/549214673.db2.gz OACVNYBXIAGLQE-MJGOQNOKSA-N 2 1 326.488 3.293 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000677240102 549234897 /nfs/dbraw/zinc/23/48/97/549234897.db2.gz SYULIDBEBVXSKH-UXJHKWJQSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677240102 549234901 /nfs/dbraw/zinc/23/49/01/549234901.db2.gz SYULIDBEBVXSKH-UXJHKWJQSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677240102 549234907 /nfs/dbraw/zinc/23/49/07/549234907.db2.gz SYULIDBEBVXSKH-UXJHKWJQSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000677240102 549234911 /nfs/dbraw/zinc/23/49/11/549234911.db2.gz SYULIDBEBVXSKH-UXJHKWJQSA-N 3 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000677240102 549234916 /nfs/dbraw/zinc/23/49/16/549234916.db2.gz SYULIDBEBVXSKH-UXJHKWJQSA-N 3 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677240102 549234920 /nfs/dbraw/zinc/23/49/20/549234920.db2.gz SYULIDBEBVXSKH-UXJHKWJQSA-N 3 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677240102 549234926 /nfs/dbraw/zinc/23/49/26/549234926.db2.gz SYULIDBEBVXSKH-UXJHKWJQSA-N 3 1 341.543 3.359 20 0 EGADMP C[C@@H]1SCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1C ZINC000678271593 549453309 /nfs/dbraw/zinc/45/33/09/549453309.db2.gz YPVJGEVOORFXNT-IRXDYDNUSA-N 2 1 334.529 3.487 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(OC(C)C)CC2)[C@H](C)C1 ZINC000678604166 549529102 /nfs/dbraw/zinc/52/91/02/549529102.db2.gz DLPUKIVNBZBQCE-OAHAVBBTSA-N 2 1 340.552 3.449 20 0 EGADMP CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000678719034 549547189 /nfs/dbraw/zinc/54/71/89/549547189.db2.gz GKXDJFUMFQXKGI-OAQYLSRUSA-N 2 1 329.532 3.410 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)c1ccccc1 ZINC000678762839 549555273 /nfs/dbraw/zinc/55/52/73/549555273.db2.gz PPPUQNGNJBWRLI-GHTZIAJQSA-N 2 1 340.511 3.435 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)c1ccccc1 ZINC000678762839 549555279 /nfs/dbraw/zinc/55/52/79/549555279.db2.gz PPPUQNGNJBWRLI-GHTZIAJQSA-N 2 1 340.511 3.435 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncn1 ZINC000679721185 549768331 /nfs/dbraw/zinc/76/83/31/549768331.db2.gz JLRIRAUJHTZXCS-CEWLAPEOSA-N 2 1 336.483 3.175 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ncn1 ZINC000679721185 549768333 /nfs/dbraw/zinc/76/83/33/549768333.db2.gz JLRIRAUJHTZXCS-CEWLAPEOSA-N 2 1 336.483 3.175 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000679732189 549770156 /nfs/dbraw/zinc/77/01/56/549770156.db2.gz SQWIPJPCIMSPNW-UHFFFAOYSA-N 2 1 344.528 3.353 20 0 EGADMP CC[C@]1(C)COCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000681490689 550004714 /nfs/dbraw/zinc/00/47/14/550004714.db2.gz AEHHMLKAYKFACX-HXUWFJFHSA-N 2 1 332.488 3.162 20 0 EGADMP COc1cc(C)c([C@H](C)[NH+]2CCC([N@H+](C)CCCO)CC2)cc1C ZINC000682069149 550067680 /nfs/dbraw/zinc/06/76/80/550067680.db2.gz CKJSPVBUBZLUPS-KRWDZBQOSA-N 2 1 334.504 3.152 20 0 EGADMP COc1cc(C)c([C@H](C)[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1C ZINC000682069149 550067684 /nfs/dbraw/zinc/06/76/84/550067684.db2.gz CKJSPVBUBZLUPS-KRWDZBQOSA-N 2 1 334.504 3.152 20 0 EGADMP C[NH+]1CCN(C[C@H]([NH2+]Cc2cc3ccccc3[nH]2)c2ccccc2)CC1 ZINC000683927321 550274395 /nfs/dbraw/zinc/27/43/95/550274395.db2.gz NRZVGVYEIQIBQA-QFIPXVFZSA-N 2 1 348.494 3.246 20 0 EGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000684557551 550343037 /nfs/dbraw/zinc/34/30/37/550343037.db2.gz WTGYUFCBQHKPQT-BVJIBDCISA-N 2 1 328.500 3.302 20 0 EGADMP C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685442214 550417062 /nfs/dbraw/zinc/41/70/62/550417062.db2.gz HZGWFWPXMHZCPC-HKUYNNGSSA-N 2 1 334.504 3.143 20 0 EGADMP C[C@@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000685457270 550419275 /nfs/dbraw/zinc/41/92/75/550419275.db2.gz RJIPGDOUGDNDTQ-JXFKEZNVSA-N 2 1 333.495 3.030 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccccc2-c2ccccc2)CC1 ZINC000729684261 574878833 /nfs/dbraw/zinc/87/88/33/574878833.db2.gz NFOTWYRVWKJVGF-UHFFFAOYSA-N 2 1 337.511 3.471 20 0 EGADMP C[C@H](N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000693713385 1298150744 /nfs/dbraw/zinc/15/07/44/1298150744.db2.gz OBDBXGJOXBSQEA-KTIPNOMGSA-N 2 1 341.543 3.263 20 0 EGADMP C[C@H]([NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000693713385 1298150750 /nfs/dbraw/zinc/15/07/50/1298150750.db2.gz OBDBXGJOXBSQEA-KTIPNOMGSA-N 3 1 341.543 3.263 20 0 EGADMP C[C@H]([NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000693713385 1298150755 /nfs/dbraw/zinc/15/07/55/1298150755.db2.gz OBDBXGJOXBSQEA-KTIPNOMGSA-N 3 1 341.543 3.263 20 0 EGADMP CC1(C)[C@H](NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]2CCC[NH2+][C@H]21 ZINC000693711367 1298150940 /nfs/dbraw/zinc/15/09/40/1298150940.db2.gz DYHSKTIHGWTOEY-PLACYPQZSA-N 2 1 341.543 3.265 20 0 EGADMP CC1(C)[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]2CCC[NH2+][C@H]21 ZINC000693711367 1298150947 /nfs/dbraw/zinc/15/09/47/1298150947.db2.gz DYHSKTIHGWTOEY-PLACYPQZSA-N 3 1 341.543 3.265 20 0 EGADMP CC1(C)[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]2CCC[NH2+][C@H]21 ZINC000693711367 1298150949 /nfs/dbraw/zinc/15/09/49/1298150949.db2.gz DYHSKTIHGWTOEY-PLACYPQZSA-N 3 1 341.543 3.265 20 0 EGADMP C[C@@H](CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)[NH+](C)C ZINC000895300394 1309276469 /nfs/dbraw/zinc/27/64/69/1309276469.db2.gz WIKKLAWPNBMZQB-KRWDZBQOSA-N 2 1 349.482 3.364 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000069160425 1292232965 /nfs/dbraw/zinc/23/29/65/1292232965.db2.gz YNVGUSZNPYKPHA-CQSZACIVSA-N 2 1 328.403 3.118 20 0 EGADMP Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000075677025 1292404915 /nfs/dbraw/zinc/40/49/15/1292404915.db2.gz CRVYDSSNVHXPQN-CTNGQTDRSA-N 2 1 330.516 3.472 20 0 EGADMP Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000075677025 1292404917 /nfs/dbraw/zinc/40/49/17/1292404917.db2.gz CRVYDSSNVHXPQN-CTNGQTDRSA-N 2 1 330.516 3.472 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000075760920 1292409506 /nfs/dbraw/zinc/40/95/06/1292409506.db2.gz VRGWBAYTZHGUOY-UHFFFAOYSA-N 2 1 338.879 3.321 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](CNCc2ccn(-c3ccccc3)n2)C1 ZINC000091064191 1292813924 /nfs/dbraw/zinc/81/39/24/1292813924.db2.gz LNEVXZCUNAWZPE-GOSISDBHSA-N 2 1 326.488 3.330 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000105451339 1293036970 /nfs/dbraw/zinc/03/69/70/1293036970.db2.gz XOFLWMLPBROEDO-UHFFFAOYSA-N 2 1 343.437 3.069 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000105458043 1293039181 /nfs/dbraw/zinc/03/91/81/1293039181.db2.gz QQJSLLBHOQUHQP-AWEZNQCLSA-N 2 1 338.879 3.321 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000105458043 1293039190 /nfs/dbraw/zinc/03/91/90/1293039190.db2.gz QQJSLLBHOQUHQP-AWEZNQCLSA-N 2 1 338.879 3.321 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1nc(Br)cs1 ZINC000834517983 1293108838 /nfs/dbraw/zinc/10/88/38/1293108838.db2.gz BNLJFJVMJRTILJ-SECBINFHSA-N 2 1 329.267 3.151 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CCCc2cccnc2)cn1 ZINC000834522566 1293110206 /nfs/dbraw/zinc/11/02/06/1293110206.db2.gz DRXMOWVOOBZVRW-INIZCTEOSA-N 2 1 335.455 3.472 20 0 EGADMP c1ccc2c(c1)CCC([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000834585181 1293119691 /nfs/dbraw/zinc/11/96/91/1293119691.db2.gz IFCPWPITVQUNSW-NRFANRHFSA-N 2 1 328.500 3.167 20 0 EGADMP COC1([C@@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000834789567 1293148968 /nfs/dbraw/zinc/14/89/68/1293148968.db2.gz DBKDNZUWSOAUPJ-UYAOXDASSA-N 2 1 346.515 3.072 20 0 EGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000120641462 1293332116 /nfs/dbraw/zinc/33/21/16/1293332116.db2.gz JXIIJZYZFITMIY-KKSFZXQISA-N 2 1 342.458 3.113 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)nc2)[C@H](C)C1 ZINC000122735739 1293423099 /nfs/dbraw/zinc/42/30/99/1293423099.db2.gz FTYDOLAHTVJRDN-NVXWUHKLSA-N 2 1 339.911 3.004 20 0 EGADMP CCCCC1CCC([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000134234047 1293767258 /nfs/dbraw/zinc/76/72/58/1293767258.db2.gz MVSAVGOZNDTUIX-UHFFFAOYSA-N 2 1 345.535 3.067 20 0 EGADMP Cc1cc(N2CCC([NH2+]Cc3cnc(C4CC4)s3)CC2)nc(C)[nH+]1 ZINC000134393301 1293773097 /nfs/dbraw/zinc/77/30/97/1293773097.db2.gz TUXFCXKJHQCQID-UHFFFAOYSA-N 2 1 343.500 3.186 20 0 EGADMP Cc1c(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)cnn1-c1cc[nH+]cc1 ZINC000157011631 1294165994 /nfs/dbraw/zinc/16/59/94/1294165994.db2.gz VPINHUQRJFRSLW-UHFFFAOYSA-N 2 1 349.438 3.198 20 0 EGADMP CC[C@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000183410465 1295117527 /nfs/dbraw/zinc/11/75/27/1295117527.db2.gz IPMHNBLQXZZRQS-IAGOWNOFSA-N 2 1 339.524 3.240 20 0 EGADMP CCCCC[C@H](C)NC(=O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185675061 1295278946 /nfs/dbraw/zinc/27/89/46/1295278946.db2.gz FHYWCUWUBLJLGP-OKZBNKHCSA-N 2 1 337.552 3.314 20 0 EGADMP CCCCC[C@H](C)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185675061 1295278954 /nfs/dbraw/zinc/27/89/54/1295278954.db2.gz FHYWCUWUBLJLGP-OKZBNKHCSA-N 2 1 337.552 3.314 20 0 EGADMP CCCCC[C@H](C)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185675061 1295278963 /nfs/dbraw/zinc/27/89/63/1295278963.db2.gz FHYWCUWUBLJLGP-OKZBNKHCSA-N 2 1 337.552 3.314 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749370 1295283830 /nfs/dbraw/zinc/28/38/30/1295283830.db2.gz PMJZVDIELTZMNA-RFUYNDQBSA-N 2 1 338.442 3.241 20 0 EGADMP CC(=O)Oc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185767772 1295284965 /nfs/dbraw/zinc/28/49/65/1295284965.db2.gz DHNSDLFEBGDRQZ-CRAIPNDOSA-N 2 1 330.472 3.355 20 0 EGADMP CCOCCC[N@H+]1CC[C@H](NCc2cnc(Cl)s2)[C@H](C)C1 ZINC000187019852 1295362862 /nfs/dbraw/zinc/36/28/62/1295362862.db2.gz QXLIMWPFZDXJLX-OCCSQVGLSA-N 2 1 331.913 3.023 20 0 EGADMP CCC[NH+](CCC)CCC[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000187196344 1295374546 /nfs/dbraw/zinc/37/45/46/1295374546.db2.gz KZKCAVKTLWFEAA-UHFFFAOYSA-N 2 1 331.504 3.197 20 0 EGADMP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1O ZINC000187187673 1295374619 /nfs/dbraw/zinc/37/46/19/1295374619.db2.gz UIVCZWKBHHHJQK-STQMWFEESA-N 2 1 341.293 3.456 20 0 EGADMP C[C@H]1C[C@@H](N(C)C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000870891678 1296131895 /nfs/dbraw/zinc/13/18/95/1296131895.db2.gz HPHFZXNGLADZOK-FFGOWVMKSA-N 2 1 343.515 3.015 20 0 EGADMP CC(C)[C@@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000236709547 1296198907 /nfs/dbraw/zinc/19/89/07/1296198907.db2.gz YGPRKHTVDPSYAY-IAGOWNOFSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000237671824 1296256600 /nfs/dbraw/zinc/25/66/00/1296256600.db2.gz RARVIZCHMQHGHH-SQGPQFPESA-N 2 1 343.515 3.052 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc(F)nc1 ZINC000249457811 1296444597 /nfs/dbraw/zinc/44/45/97/1296444597.db2.gz OBJNZJMOCBSJPB-IGOJGBNBSA-N 2 1 327.447 3.467 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(F)nc1 ZINC000249457811 1296444612 /nfs/dbraw/zinc/44/46/12/1296444612.db2.gz OBJNZJMOCBSJPB-IGOJGBNBSA-N 2 1 327.447 3.467 20 0 EGADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000262024949 1296616702 /nfs/dbraw/zinc/61/67/02/1296616702.db2.gz ZDGWICJEMVQRPC-UHFFFAOYSA-N 2 1 331.504 3.378 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cc(O)ccc1F ZINC000872024718 1296668755 /nfs/dbraw/zinc/66/87/55/1296668755.db2.gz DIJAEPPGZIYRCQ-CQSZACIVSA-N 2 1 332.419 3.323 20 0 EGADMP CC[C@H](CC1CCCCC1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000872036897 1296686368 /nfs/dbraw/zinc/68/63/68/1296686368.db2.gz WONKBVKXCKOLNK-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308401852 1297069090 /nfs/dbraw/zinc/06/90/90/1297069090.db2.gz XIMKFXSBURFKHB-VAMGGRTRSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC[N@@H+]1C ZINC000310065537 1297087139 /nfs/dbraw/zinc/08/71/39/1297087139.db2.gz PUVFTPPKNXEBSH-BZUAXINKSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC[N@H+]1C ZINC000310065537 1297087149 /nfs/dbraw/zinc/08/71/49/1297087149.db2.gz PUVFTPPKNXEBSH-BZUAXINKSA-N 2 1 339.524 3.094 20 0 EGADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000311181312 1297106853 /nfs/dbraw/zinc/10/68/53/1297106853.db2.gz YTYWSOKWNXRMLL-OXJNMPFZSA-N 2 1 346.421 3.110 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](c2ccc(F)cc2)O1 ZINC000873205603 1297349132 /nfs/dbraw/zinc/34/91/32/1297349132.db2.gz PNEHJHWRDSODFX-ACJLOTCBSA-N 2 1 346.471 3.495 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](c2ccc(F)cc2)O1 ZINC000873205603 1297349144 /nfs/dbraw/zinc/34/91/44/1297349144.db2.gz PNEHJHWRDSODFX-ACJLOTCBSA-N 2 1 346.471 3.495 20 0 EGADMP Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210674 1297355691 /nfs/dbraw/zinc/35/56/91/1297355691.db2.gz NYNXITYQGVDXCL-VHRNVKJDSA-N 2 1 342.512 3.038 20 0 EGADMP CC[N@@H+](CCOc1ccccc1OC)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211784 1297356067 /nfs/dbraw/zinc/35/60/67/1297356067.db2.gz BEQSELWQASGSNW-UHFFFAOYSA-N 2 1 346.496 3.303 20 0 EGADMP C[C@H](CC[NH2+]C[C@H](O)c1ccccc1F)[N@H+](C)Cc1ccccc1 ZINC000379615104 1297535333 /nfs/dbraw/zinc/53/53/33/1297535333.db2.gz AEEIICZAIOTYTR-UZLBHIALSA-N 2 1 330.447 3.359 20 0 EGADMP C[C@H](CC[NH2+]C[C@H](O)c1ccccc1F)[N@@H+](C)Cc1ccccc1 ZINC000379615104 1297535342 /nfs/dbraw/zinc/53/53/42/1297535342.db2.gz AEEIICZAIOTYTR-UZLBHIALSA-N 2 1 330.447 3.359 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000381043252 1297550036 /nfs/dbraw/zinc/55/00/36/1297550036.db2.gz FCGMBTZNBZNWMX-OAGGEKHMSA-N 2 1 327.513 3.141 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000381043252 1297550043 /nfs/dbraw/zinc/55/00/43/1297550043.db2.gz FCGMBTZNBZNWMX-OAGGEKHMSA-N 2 1 327.513 3.141 20 0 EGADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000386303248 1297589004 /nfs/dbraw/zinc/58/90/04/1297589004.db2.gz FZHNEBMTRUHXSC-RXVVDRJESA-N 2 1 342.458 3.361 20 0 EGADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000398059426 1297713205 /nfs/dbraw/zinc/71/32/05/1297713205.db2.gz AXVJNWZAEJSQGT-NQIIRXRSSA-N 2 1 329.532 3.361 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405248648 1297763662 /nfs/dbraw/zinc/76/36/62/1297763662.db2.gz IQDUIYOFVVJYRX-GBESFXJTSA-N 2 1 327.516 3.147 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000876771136 1298974990 /nfs/dbraw/zinc/97/49/90/1298974990.db2.gz NCUGYBRLMAHRNM-INIZCTEOSA-N 2 1 341.540 3.201 20 0 EGADMP Cc1nnsc1CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000876866758 1299041679 /nfs/dbraw/zinc/04/16/79/1299041679.db2.gz WZJKLJGBVMZGBM-UHFFFAOYSA-N 2 1 345.516 3.237 20 0 EGADMP Nc1c(Cl)cccc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000876896650 1299055979 /nfs/dbraw/zinc/05/59/79/1299055979.db2.gz KEGHOIRPOCOGKE-UHFFFAOYSA-N 2 1 345.874 3.044 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000876943534 1299079567 /nfs/dbraw/zinc/07/95/67/1299079567.db2.gz QXJAESOVBYOODE-MRXNPFEDSA-N 2 1 333.476 3.465 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000876975338 1299096903 /nfs/dbraw/zinc/09/69/03/1299096903.db2.gz DCCFWGINQMIBSV-PLMTUMEDSA-N 2 1 336.483 3.365 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000876975338 1299096915 /nfs/dbraw/zinc/09/69/15/1299096915.db2.gz DCCFWGINQMIBSV-PLMTUMEDSA-N 2 1 336.483 3.365 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000876988562 1299102448 /nfs/dbraw/zinc/10/24/48/1299102448.db2.gz GSKCEOBAPUNWCK-INIZCTEOSA-N 2 1 339.524 3.003 20 0 EGADMP Cc1nnc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)s1 ZINC000877537381 1299378984 /nfs/dbraw/zinc/37/89/84/1299378984.db2.gz LRIKFCAYWZSBIH-SJLPKXTDSA-N 2 1 342.512 3.347 20 0 EGADMP Cc1nnc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)s1 ZINC000877537381 1299378991 /nfs/dbraw/zinc/37/89/91/1299378991.db2.gz LRIKFCAYWZSBIH-SJLPKXTDSA-N 2 1 342.512 3.347 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC[C@H]21 ZINC000877743621 1299521771 /nfs/dbraw/zinc/52/17/71/1299521771.db2.gz LMLOZMQZFRPYPS-GDBMZVCRSA-N 2 1 328.378 3.154 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC[C@H]21 ZINC000877743621 1299521775 /nfs/dbraw/zinc/52/17/75/1299521775.db2.gz LMLOZMQZFRPYPS-GDBMZVCRSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3)CC[C@H]21 ZINC000877743621 1299521782 /nfs/dbraw/zinc/52/17/82/1299521782.db2.gz LMLOZMQZFRPYPS-GDBMZVCRSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)CC[C@H]21 ZINC000877743621 1299521789 /nfs/dbraw/zinc/52/17/89/1299521789.db2.gz LMLOZMQZFRPYPS-GDBMZVCRSA-N 2 1 328.378 3.154 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(OCC(F)(F)F)c3)CC[C@@H]21 ZINC000877745029 1299523897 /nfs/dbraw/zinc/52/38/97/1299523897.db2.gz ZCHYPPSKQLAGMU-ZBFHGGJFSA-N 2 1 328.378 3.154 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(OCC(F)(F)F)c3)CC[C@@H]21 ZINC000877745029 1299523899 /nfs/dbraw/zinc/52/38/99/1299523899.db2.gz ZCHYPPSKQLAGMU-ZBFHGGJFSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(OCC(F)(F)F)c3)CC[C@@H]21 ZINC000877745029 1299523903 /nfs/dbraw/zinc/52/39/03/1299523903.db2.gz ZCHYPPSKQLAGMU-ZBFHGGJFSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(OCC(F)(F)F)c3)CC[C@@H]21 ZINC000877745029 1299523906 /nfs/dbraw/zinc/52/39/06/1299523906.db2.gz ZCHYPPSKQLAGMU-ZBFHGGJFSA-N 2 1 328.378 3.154 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3cccc4ccccc43)CC[C@@H]21 ZINC000879575426 1300611690 /nfs/dbraw/zinc/61/16/90/1300611690.db2.gz KUKYFOWWFWQRNM-PXNSSMCTSA-N 2 1 337.467 3.194 20 0 EGADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3cccc4ccccc43)CC[C@@H]21 ZINC000879575426 1300611700 /nfs/dbraw/zinc/61/17/00/1300611700.db2.gz KUKYFOWWFWQRNM-PXNSSMCTSA-N 2 1 337.467 3.194 20 0 EGADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3cccc4ccccc43)CC[C@@H]21 ZINC000879575426 1300611708 /nfs/dbraw/zinc/61/17/08/1300611708.db2.gz KUKYFOWWFWQRNM-PXNSSMCTSA-N 2 1 337.467 3.194 20 0 EGADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3cccc4ccccc43)CC[C@@H]21 ZINC000879575426 1300611716 /nfs/dbraw/zinc/61/17/16/1300611716.db2.gz KUKYFOWWFWQRNM-PXNSSMCTSA-N 2 1 337.467 3.194 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000759161692 1301030245 /nfs/dbraw/zinc/03/02/45/1301030245.db2.gz WYCBNASOXASPJP-MRXNPFEDSA-N 2 1 341.540 3.247 20 0 EGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761202833 1301419601 /nfs/dbraw/zinc/41/96/01/1301419601.db2.gz OAACODSOEDEFIM-OAHLLOKOSA-N 2 1 327.513 3.096 20 0 EGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761202833 1301419606 /nfs/dbraw/zinc/41/96/06/1301419606.db2.gz OAACODSOEDEFIM-OAHLLOKOSA-N 2 1 327.513 3.096 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761202833 1301419609 /nfs/dbraw/zinc/41/96/09/1301419609.db2.gz OAACODSOEDEFIM-OAHLLOKOSA-N 2 1 327.513 3.096 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761202833 1301419612 /nfs/dbraw/zinc/41/96/12/1301419612.db2.gz OAACODSOEDEFIM-OAHLLOKOSA-N 2 1 327.513 3.096 20 0 EGADMP CN(CCCC[NH+]1CCCCC1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000882624917 1302038857 /nfs/dbraw/zinc/03/88/57/1302038857.db2.gz VCMFMIUYRWUIFU-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP CCn1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(-c2ccccc2)n1 ZINC000882941017 1302173801 /nfs/dbraw/zinc/17/38/01/1302173801.db2.gz GAIXSAPUQVHKRB-KRWDZBQOSA-N 2 1 326.488 3.390 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc2c(c1)CCC2 ZINC000765973736 1302361296 /nfs/dbraw/zinc/36/12/96/1302361296.db2.gz FAAVMUYEAMGLJO-IIBYNOLFSA-N 2 1 328.500 3.469 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCC4(CCC4)O3)CC2)cc1 ZINC000883356043 1302409811 /nfs/dbraw/zinc/40/98/11/1302409811.db2.gz DDLCLDOXYXKZPV-FQEVSTJZSA-N 2 1 328.500 3.385 20 0 EGADMP Cc1ccc(C)c(NC(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000768149325 1302837721 /nfs/dbraw/zinc/83/77/21/1302837721.db2.gz FCYTVWAGEDMCAH-UHFFFAOYSA-N 2 1 339.483 3.436 20 0 EGADMP Cc1ccc(C)c(NC(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000768149325 1302837731 /nfs/dbraw/zinc/83/77/31/1302837731.db2.gz FCYTVWAGEDMCAH-UHFFFAOYSA-N 2 1 339.483 3.436 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCNC(=O)OC(C)(C)C)cc1 ZINC000769462735 1303118645 /nfs/dbraw/zinc/11/86/45/1303118645.db2.gz JGDQHZIOPQDCQU-UHFFFAOYSA-N 2 1 335.492 3.095 20 0 EGADMP COc1cccc2cc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)oc21 ZINC000770347179 1303251641 /nfs/dbraw/zinc/25/16/41/1303251641.db2.gz HDVSNXSZSCPGPE-KVSKMBFKSA-N 2 1 344.455 3.125 20 0 EGADMP COc1cccc2cc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)oc21 ZINC000770347179 1303251649 /nfs/dbraw/zinc/25/16/49/1303251649.db2.gz HDVSNXSZSCPGPE-KVSKMBFKSA-N 2 1 344.455 3.125 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000885923735 1303278304 /nfs/dbraw/zinc/27/83/04/1303278304.db2.gz BUXJOZHTHDCDLU-CEXWTWQISA-N 2 1 338.536 3.062 20 0 EGADMP C[C@H](COCc1ccccc1)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000886081130 1303350046 /nfs/dbraw/zinc/35/00/46/1303350046.db2.gz JHEQMBMXAGXKMC-ZIBCJSCZSA-N 2 1 346.515 3.023 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)nc(C)n1 ZINC000886648513 1303538345 /nfs/dbraw/zinc/53/83/45/1303538345.db2.gz WGTSHBCPFIOPKD-VQTJNVASSA-N 2 1 336.483 3.047 20 0 EGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)nc(C)n1 ZINC000886648513 1303538354 /nfs/dbraw/zinc/53/83/54/1303538354.db2.gz WGTSHBCPFIOPKD-VQTJNVASSA-N 2 1 336.483 3.047 20 0 EGADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nc(C)n1 ZINC000886648513 1303538360 /nfs/dbraw/zinc/53/83/60/1303538360.db2.gz WGTSHBCPFIOPKD-VQTJNVASSA-N 2 1 336.483 3.047 20 0 EGADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc(C)n1 ZINC000886648513 1303538367 /nfs/dbraw/zinc/53/83/67/1303538367.db2.gz WGTSHBCPFIOPKD-VQTJNVASSA-N 2 1 336.483 3.047 20 0 EGADMP Cc1[nH]c(C2CC[NH+](CCC(=O)Nc3ccc(F)cc3)CC2)[nH+]c1C ZINC000886664487 1303544945 /nfs/dbraw/zinc/54/49/45/1303544945.db2.gz ODQDVRJNMJKMMC-UHFFFAOYSA-N 2 1 344.434 3.374 20 0 EGADMP CCC1([NH+]2CCC2)CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000886709042 1303573261 /nfs/dbraw/zinc/57/32/61/1303573261.db2.gz JDRASJBVSQLXEQ-UHFFFAOYSA-N 2 1 333.451 3.105 20 0 EGADMP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886871784 1303621076 /nfs/dbraw/zinc/62/10/76/1303621076.db2.gz AWNAKCJCWKSWNS-OAQYLSRUSA-N 2 1 343.515 3.038 20 0 EGADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886871784 1303621079 /nfs/dbraw/zinc/62/10/79/1303621079.db2.gz AWNAKCJCWKSWNS-OAQYLSRUSA-N 2 1 343.515 3.038 20 0 EGADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000776851243 1304211521 /nfs/dbraw/zinc/21/15/21/1304211521.db2.gz JYLRTOLQJGLNBV-PLACYPQZSA-N 2 1 328.500 3.101 20 0 EGADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000776851243 1304211525 /nfs/dbraw/zinc/21/15/25/1304211525.db2.gz JYLRTOLQJGLNBV-PLACYPQZSA-N 2 1 328.500 3.101 20 0 EGADMP CCC1(CC)CN(C[NH+]2CCC(CCC[NH+](C)C)CC2)C(=O)O1 ZINC000778575429 1304470199 /nfs/dbraw/zinc/47/01/99/1304470199.db2.gz RLYQXWANRNDYNT-UHFFFAOYSA-N 2 1 325.497 3.009 20 0 EGADMP CN(Cc1ccnc(N(C)C)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000782174494 1304925515 /nfs/dbraw/zinc/92/55/15/1304925515.db2.gz GWVPIOTZVMKHQK-HXUWFJFHSA-N 2 1 338.499 3.102 20 0 EGADMP CN(C)c1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccn1 ZINC000782174494 1304925518 /nfs/dbraw/zinc/92/55/18/1304925518.db2.gz GWVPIOTZVMKHQK-HXUWFJFHSA-N 2 1 338.499 3.102 20 0 EGADMP CN(C)c1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccn1 ZINC000782174494 1304925521 /nfs/dbraw/zinc/92/55/21/1304925521.db2.gz GWVPIOTZVMKHQK-HXUWFJFHSA-N 2 1 338.499 3.102 20 0 EGADMP CN(C)c1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000782174494 1304925525 /nfs/dbraw/zinc/92/55/25/1304925525.db2.gz GWVPIOTZVMKHQK-HXUWFJFHSA-N 2 1 338.499 3.102 20 0 EGADMP CN(C)c1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000782174494 1304925527 /nfs/dbraw/zinc/92/55/27/1304925527.db2.gz GWVPIOTZVMKHQK-HXUWFJFHSA-N 2 1 338.499 3.102 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000782183441 1304926564 /nfs/dbraw/zinc/92/65/64/1304926564.db2.gz LPRJMSYLFWBXSO-KRWDZBQOSA-N 2 1 339.524 3.050 20 0 EGADMP c1ccc(OCCCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000783625763 1305119358 /nfs/dbraw/zinc/11/93/58/1305119358.db2.gz DYXGXOOHEMJNNX-HXUWFJFHSA-N 2 1 332.488 3.079 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC000784374556 1305237344 /nfs/dbraw/zinc/23/73/44/1305237344.db2.gz NLFHZTIZNNQKNB-FQEVSTJZSA-N 2 1 326.488 3.491 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC000784374556 1305237351 /nfs/dbraw/zinc/23/73/51/1305237351.db2.gz NLFHZTIZNNQKNB-FQEVSTJZSA-N 2 1 326.488 3.491 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2NCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000892335566 1305321799 /nfs/dbraw/zinc/32/17/99/1305321799.db2.gz UTTKGUADVQBRRI-CALCHBBNSA-N 2 1 331.504 3.050 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2NCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000892335566 1305321806 /nfs/dbraw/zinc/32/18/06/1305321806.db2.gz UTTKGUADVQBRRI-CALCHBBNSA-N 2 1 331.504 3.050 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000785441180 1305351797 /nfs/dbraw/zinc/35/17/97/1305351797.db2.gz GTWYQIOPMZOJQO-INIZCTEOSA-N 2 1 341.540 3.344 20 0 EGADMP COCCOC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000892570061 1305445052 /nfs/dbraw/zinc/44/50/52/1305445052.db2.gz HJFNJEORFXDQFJ-MSOLQXFVSA-N 2 1 334.504 3.202 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC000892614756 1305472927 /nfs/dbraw/zinc/47/29/27/1305472927.db2.gz SZZOCKPLVJWUQU-GOSISDBHSA-N 2 1 347.503 3.143 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1sccc1NC(=O)OC(C)(C)C ZINC000892758853 1305542354 /nfs/dbraw/zinc/54/23/54/1305542354.db2.gz PLBSXCCIMBURIK-UHFFFAOYSA-N 2 1 336.461 3.390 20 0 EGADMP CC[C@H]1Oc2cc([C@@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ccc2NC1=O ZINC000893356142 1305847293 /nfs/dbraw/zinc/84/72/93/1305847293.db2.gz KAZKIXXWSZBTOH-VONXNBHVSA-N 2 1 343.471 3.072 20 0 EGADMP c1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c2c(c1)CCCN2 ZINC000894093731 1306214911 /nfs/dbraw/zinc/21/49/11/1306214911.db2.gz HNLAUKYGFDTAHI-XLIONFOSSA-N 2 1 325.500 3.493 20 0 EGADMP c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2c(c1)CCCN2 ZINC000894093731 1306214916 /nfs/dbraw/zinc/21/49/16/1306214916.db2.gz HNLAUKYGFDTAHI-XLIONFOSSA-N 2 1 325.500 3.493 20 0 EGADMP CCC[N@@H+](CC1CC[NH+](C)CC1)[C@H](C)C(=O)Nc1ccccc1C ZINC000894099802 1306219037 /nfs/dbraw/zinc/21/90/37/1306219037.db2.gz BYZQXFQHEOMTGZ-QGZVFWFLSA-N 2 1 331.504 3.376 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]C1CC[NH+](CC)CC1 ZINC000894150377 1306247336 /nfs/dbraw/zinc/24/73/36/1306247336.db2.gz JJKMBHQQPADVPV-UHFFFAOYSA-N 2 1 343.471 3.227 20 0 EGADMP C[NH+]1CCC(C[N@@H+]2CCc3c(Br)ccc(F)c3C2)CC1 ZINC000790081770 1306259780 /nfs/dbraw/zinc/25/97/80/1306259780.db2.gz QCWJFGKSELNDSX-UHFFFAOYSA-N 2 1 341.268 3.288 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCc3c(Br)ccc(F)c3C2)CC1 ZINC000790081770 1306259790 /nfs/dbraw/zinc/25/97/90/1306259790.db2.gz QCWJFGKSELNDSX-UHFFFAOYSA-N 2 1 341.268 3.288 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)OCCC[NH+](C)C ZINC000791874913 1309082030 /nfs/dbraw/zinc/08/20/30/1309082030.db2.gz HLRGBXZQQHGZLO-KRWDZBQOSA-N 2 1 348.487 3.048 20 0 EGADMP COC(=O)/C=C\c1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)o1 ZINC000895684019 1309464489 /nfs/dbraw/zinc/46/44/89/1309464489.db2.gz ZQCJIPSYZSARCT-KHPPLWFESA-N 2 1 334.460 3.164 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn(C)nc1C1CC1 ZINC000895693991 1309469250 /nfs/dbraw/zinc/46/92/50/1309469250.db2.gz OMOOGXYVVMEUMT-LPHOPBHVSA-N 2 1 338.499 3.155 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000895959337 1309613737 /nfs/dbraw/zinc/61/37/37/1309613737.db2.gz XUMRASNNSIBWFD-SFHVURJKSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H](O)c1ccccc1 ZINC000796363905 1309979016 /nfs/dbraw/zinc/97/90/16/1309979016.db2.gz REYAKULIJVGJBC-ROUUACIJSA-N 2 1 333.501 3.053 20 0 EGADMP CC[C@H](C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000798526289 1310381836 /nfs/dbraw/zinc/38/18/36/1310381836.db2.gz CCWLZARXIKRVPK-CTNGQTDRSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@H](C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000798526292 1310381979 /nfs/dbraw/zinc/38/19/79/1310381979.db2.gz CCWLZARXIKRVPK-TZIWHRDSSA-N 2 1 345.531 3.135 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)c3ccc(F)cc3Cl)C2)CC1 ZINC000799176824 1310499860 /nfs/dbraw/zinc/49/98/60/1310499860.db2.gz FZDSJIUDRWVDMT-QGZVFWFLSA-N 2 1 340.870 3.320 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824416768 1320255763 /nfs/dbraw/zinc/25/57/63/1320255763.db2.gz NQMKPTPRBSFGEE-IKGGRYGDSA-N 2 1 341.540 3.340 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824416768 1320255765 /nfs/dbraw/zinc/25/57/65/1320255765.db2.gz NQMKPTPRBSFGEE-IKGGRYGDSA-N 2 1 341.540 3.340 20 0 EGADMP Cc1cc(C[NH2+][C@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)cs1 ZINC001018968217 1316989422 /nfs/dbraw/zinc/98/94/22/1316989422.db2.gz YGOIRMSMOSDADA-ROUUACIJSA-N 2 1 349.544 3.010 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001019044047 1317020635 /nfs/dbraw/zinc/02/06/35/1317020635.db2.gz NVDDQWCSSVNHHY-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001019464806 1317260902 /nfs/dbraw/zinc/26/09/02/1317260902.db2.gz PUMUETBYVZDZKT-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC000957560226 1317457664 /nfs/dbraw/zinc/45/76/64/1317457664.db2.gz UXCYRGZHNPWHMM-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)CC1 ZINC000957573342 1317470650 /nfs/dbraw/zinc/47/06/50/1317470650.db2.gz TUOMVDWOITVQFF-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](CC1CC(C)C1)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000957725602 1317591122 /nfs/dbraw/zinc/59/11/22/1317591122.db2.gz AUVGUQAENLDXFS-LYBXBRPPSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC1CC(C)C1)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000957725602 1317591127 /nfs/dbraw/zinc/59/11/27/1317591127.db2.gz AUVGUQAENLDXFS-LYBXBRPPSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC1CC(C)C1)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000957725602 1317591131 /nfs/dbraw/zinc/59/11/31/1317591131.db2.gz AUVGUQAENLDXFS-LYBXBRPPSA-N 2 1 349.563 3.077 20 0 EGADMP CCO[C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000902796137 1317617821 /nfs/dbraw/zinc/61/78/21/1317617821.db2.gz JVQSJFQGHXWGST-MJGOQNOKSA-N 2 1 338.536 3.347 20 0 EGADMP CC[N@@H+](CC1CCCC1)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000957753396 1317622324 /nfs/dbraw/zinc/62/23/24/1317622324.db2.gz MWGBFOLTCYYESQ-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CC1CCCC1)CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000957753396 1317622333 /nfs/dbraw/zinc/62/23/33/1317622333.db2.gz MWGBFOLTCYYESQ-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CC1CCCC1)CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000957753396 1317622338 /nfs/dbraw/zinc/62/23/38/1317622338.db2.gz MWGBFOLTCYYESQ-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001020289268 1317628010 /nfs/dbraw/zinc/62/80/10/1317628010.db2.gz WHQPUYDHQBUYCI-WTGUMLROSA-N 2 1 345.531 3.131 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001020289326 1317628147 /nfs/dbraw/zinc/62/81/47/1317628147.db2.gz XYVYBNYESACPTB-UAFMIMERSA-N 2 1 347.547 3.211 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001020297313 1317633153 /nfs/dbraw/zinc/63/31/53/1317633153.db2.gz HBWJHZAXIJCZJQ-MGHWNKPDSA-N 2 1 349.906 3.122 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)c1ccccc1Cl ZINC001020297765 1317633596 /nfs/dbraw/zinc/63/35/96/1317633596.db2.gz YKHRHIYYNQAUFJ-YRBFXIGRSA-N 2 1 349.906 3.122 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCN(C(=O)CC[NH+]3CCCCC3)CC2)c1 ZINC000957774174 1317637001 /nfs/dbraw/zinc/63/70/01/1317637001.db2.gz NCXKLHRSBFOMRY-LJQANCHMSA-N 2 1 343.515 3.076 20 0 EGADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC000957779798 1317643677 /nfs/dbraw/zinc/64/36/77/1317643677.db2.gz ZOBXPBACUAPWRA-UYAOXDASSA-N 2 1 343.515 3.075 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC000957779798 1317643681 /nfs/dbraw/zinc/64/36/81/1317643681.db2.gz ZOBXPBACUAPWRA-UYAOXDASSA-N 2 1 343.515 3.075 20 0 EGADMP Cc1nc2ccccc2n1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903058475 1317644179 /nfs/dbraw/zinc/64/41/79/1317644179.db2.gz QXDHIENPTFQIEM-JLYLLQBASA-N 2 1 338.499 3.482 20 0 EGADMP CCC(CC)C(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903075419 1317647861 /nfs/dbraw/zinc/64/78/61/1317647861.db2.gz VNQIKWPIBNCSRV-CTXDPNEZSA-N 2 1 347.547 3.161 20 0 EGADMP c1cc(N2CCCCC2)ncc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903073696 1317648494 /nfs/dbraw/zinc/64/84/94/1317648494.db2.gz PTQBRTCAMRVLQG-CTXDPNEZSA-N 2 1 340.515 3.319 20 0 EGADMP c1cc(N2CCCCC2)ncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903073696 1317648498 /nfs/dbraw/zinc/64/84/98/1317648498.db2.gz PTQBRTCAMRVLQG-CTXDPNEZSA-N 2 1 340.515 3.319 20 0 EGADMP c1cc(N2CCCCC2)ncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903073696 1317648504 /nfs/dbraw/zinc/64/85/04/1317648504.db2.gz PTQBRTCAMRVLQG-CTXDPNEZSA-N 2 1 340.515 3.319 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1OC ZINC000903093242 1317652301 /nfs/dbraw/zinc/65/23/01/1317652301.db2.gz QQJVEEXHKBNXDG-DJXYKJKZSA-N 2 1 344.499 3.382 20 0 EGADMP Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c(C)s1 ZINC000903119573 1317657040 /nfs/dbraw/zinc/65/70/40/1317657040.db2.gz TWPVPYQIKJYRTR-LRMKFPBYSA-N 2 1 336.545 3.495 20 0 EGADMP C[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000903192227 1317669860 /nfs/dbraw/zinc/66/98/60/1317669860.db2.gz GZRBODXNWHPDFK-AWEZNQCLSA-N 2 1 345.512 3.423 20 0 EGADMP C[C@@H]1C[C@@H](NCc2cc(N(C)C)cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000903201952 1317673021 /nfs/dbraw/zinc/67/30/21/1317673021.db2.gz RZIPUCXLPVZJCC-MJGOQNOKSA-N 2 1 338.499 3.290 20 0 EGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000808696896 1317717417 /nfs/dbraw/zinc/71/74/17/1317717417.db2.gz YBFDHRTYKGTBGA-QAPCUYQASA-N 2 1 348.462 3.055 20 0 EGADMP COCCCC[N@H+](Cc1ccccc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725699 1317725449 /nfs/dbraw/zinc/72/54/49/1317725449.db2.gz FTGQGVRVNWBNNX-FQEVSTJZSA-N 2 1 346.515 3.074 20 0 EGADMP CC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C)Cc1ccc(OC)cc1 ZINC000903723585 1317725619 /nfs/dbraw/zinc/72/56/19/1317725619.db2.gz IVQGYXZQXSJQGH-XLIONFOSSA-N 2 1 346.515 3.107 20 0 EGADMP Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903725293 1317725872 /nfs/dbraw/zinc/72/58/72/1317725872.db2.gz ASIFAOTYLJAFNR-PCCBWWKXSA-N 2 1 328.500 3.018 20 0 EGADMP Cc1ccc2[nH]c([C@H]3CCC[N@@H+](C[C@H]4CCCC[NH2+]C4)C3)nc2c1 ZINC000903751705 1317729406 /nfs/dbraw/zinc/72/94/06/1317729406.db2.gz IHJGCGVETAOSJQ-IRXDYDNUSA-N 2 1 326.488 3.440 20 0 EGADMP Cc1ccc2nc([C@H]3CCC[N@H+](C[C@H]4CCCC[NH2+]C4)C3)[nH]c2c1 ZINC000903751705 1317729413 /nfs/dbraw/zinc/72/94/13/1317729413.db2.gz IHJGCGVETAOSJQ-IRXDYDNUSA-N 2 1 326.488 3.440 20 0 EGADMP Cc1ccc2nc([C@H]3CCC[N@@H+](C[C@H]4CCCC[NH2+]C4)C3)[nH]c2c1 ZINC000903751705 1317729415 /nfs/dbraw/zinc/72/94/15/1317729415.db2.gz IHJGCGVETAOSJQ-IRXDYDNUSA-N 2 1 326.488 3.440 20 0 EGADMP COc1ccccc1[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903780764 1317731578 /nfs/dbraw/zinc/73/15/78/1317731578.db2.gz LDRJPTJZSCHZOL-LVCYWYKZSA-N 2 1 344.499 3.033 20 0 EGADMP C(=C\[C@@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2)\c1ccccc1 ZINC000903788458 1317733781 /nfs/dbraw/zinc/73/37/81/1317733781.db2.gz LJFQPZBPEBVYAB-MITRTKIPSA-N 2 1 326.484 3.323 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001020511968 1317735252 /nfs/dbraw/zinc/73/52/52/1317735252.db2.gz IOCZUTUZHYNEDT-DLRXZHIHSA-N 2 1 343.515 3.023 20 0 EGADMP C[N@@H+](Cc1ccc(Br)o1)Cc1cccc2c1CC[NH2+]C2 ZINC000903879588 1317740840 /nfs/dbraw/zinc/74/08/40/1317740840.db2.gz FBRJEDZMYBWXEY-UHFFFAOYSA-N 2 1 335.245 3.320 20 0 EGADMP Fc1cccc(Cl)c1[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903933155 1317750629 /nfs/dbraw/zinc/75/06/29/1317750629.db2.gz ZHHHYCKGCFLGKT-DSZSVDOYSA-N 2 1 338.854 3.383 20 0 EGADMP Fc1cccc(Cl)c1[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903933155 1317750635 /nfs/dbraw/zinc/75/06/35/1317750635.db2.gz ZHHHYCKGCFLGKT-DSZSVDOYSA-N 2 1 338.854 3.383 20 0 EGADMP Fc1cccc(Cl)c1[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903933156 1317750650 /nfs/dbraw/zinc/75/06/50/1317750650.db2.gz ZHHHYCKGCFLGKT-PLTIAYLTSA-N 2 1 338.854 3.383 20 0 EGADMP Fc1cccc(Cl)c1[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903933156 1317750654 /nfs/dbraw/zinc/75/06/54/1317750654.db2.gz ZHHHYCKGCFLGKT-PLTIAYLTSA-N 2 1 338.854 3.383 20 0 EGADMP CCCCOc1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)ccc1OC ZINC000903954220 1317756596 /nfs/dbraw/zinc/75/65/96/1317756596.db2.gz APARFXHWKSWXCB-OAHLLOKOSA-N 2 1 342.430 3.209 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)c1 ZINC001020587462 1317792137 /nfs/dbraw/zinc/79/21/37/1317792137.db2.gz HBPJCOGPPBVPPL-NCXUSEDFSA-N 2 1 343.515 3.086 20 0 EGADMP CCOC(C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1)OCC ZINC000809559273 1317832511 /nfs/dbraw/zinc/83/25/11/1317832511.db2.gz LSFUPUJUCXPDRD-INIZCTEOSA-N 2 1 340.533 3.209 20 0 EGADMP CCOC(C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1)OCC ZINC000809559273 1317832520 /nfs/dbraw/zinc/83/25/20/1317832520.db2.gz LSFUPUJUCXPDRD-INIZCTEOSA-N 2 1 340.533 3.209 20 0 EGADMP CCOC(C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1)OCC ZINC000809559273 1317832528 /nfs/dbraw/zinc/83/25/28/1317832528.db2.gz LSFUPUJUCXPDRD-INIZCTEOSA-N 2 1 340.533 3.209 20 0 EGADMP CCOC(C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1)OCC ZINC000809559273 1317832536 /nfs/dbraw/zinc/83/25/36/1317832536.db2.gz LSFUPUJUCXPDRD-INIZCTEOSA-N 2 1 340.533 3.209 20 0 EGADMP COc1ccc([C@@H](C[NH2+]C[C@]2(C)CCC[NH2+]C2)N2CCCCC2)cc1 ZINC000904364925 1317837388 /nfs/dbraw/zinc/83/73/88/1317837388.db2.gz UHDNZRKUIXFYLO-NHCUHLMSSA-N 2 1 345.531 3.202 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904410317 1317843165 /nfs/dbraw/zinc/84/31/65/1317843165.db2.gz OFXAWEDURXQACM-LJQANCHMSA-N 2 1 326.488 3.027 20 0 EGADMP C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC[N@H+](C2CCC2)C1 ZINC000904595350 1317867616 /nfs/dbraw/zinc/86/76/16/1317867616.db2.gz BGPSIILFXLRTEM-HNNXBMFYSA-N 2 1 344.503 3.219 20 0 EGADMP CC[C@H](C)C[C@H]([NH3+])c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000904601018 1317868000 /nfs/dbraw/zinc/86/80/00/1317868000.db2.gz ABSUDIZDTDPXAR-BBRMVZONSA-N 2 1 332.448 3.113 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCCCC2=O)cc1 ZINC000810262333 1317989432 /nfs/dbraw/zinc/98/94/32/1317989432.db2.gz PBYMVBUNLGFGHW-SOLBZPMBSA-N 2 1 329.488 3.337 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCCCC2=O)cc1 ZINC000810262333 1317989436 /nfs/dbraw/zinc/98/94/36/1317989436.db2.gz PBYMVBUNLGFGHW-SOLBZPMBSA-N 2 1 329.488 3.337 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001021380361 1318221664 /nfs/dbraw/zinc/22/16/64/1318221664.db2.gz BUSYVORMZLTOGR-VOBGVNJCSA-N 2 1 345.531 3.083 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001021380361 1318221673 /nfs/dbraw/zinc/22/16/73/1318221673.db2.gz BUSYVORMZLTOGR-VOBGVNJCSA-N 2 1 345.531 3.083 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001021380361 1318221675 /nfs/dbraw/zinc/22/16/75/1318221675.db2.gz BUSYVORMZLTOGR-VOBGVNJCSA-N 2 1 345.531 3.083 20 0 EGADMP CC1(C)C(=O)N(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)[C@H]1C1CC1 ZINC000811733218 1318245478 /nfs/dbraw/zinc/24/54/78/1318245478.db2.gz KBNNWWVSGACSSB-IBGZPJMESA-N 2 1 347.547 3.179 20 0 EGADMP C[C@@H](C(=O)NC1CCC2(CC1)CC[NH+](C)CC2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000908501872 1318356492 /nfs/dbraw/zinc/35/64/92/1318356492.db2.gz JMQSIYIMVRYXEQ-BBWFWOEESA-N 2 1 335.536 3.019 20 0 EGADMP C[N@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000812826908 1318464903 /nfs/dbraw/zinc/46/49/03/1318464903.db2.gz TYALZZHVMGDBQS-CJNGLKHVSA-N 2 1 330.394 3.012 20 0 EGADMP C[N@@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000812826908 1318464912 /nfs/dbraw/zinc/46/49/12/1318464912.db2.gz TYALZZHVMGDBQS-CJNGLKHVSA-N 2 1 330.394 3.012 20 0 EGADMP C[NH+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000812826908 1318464919 /nfs/dbraw/zinc/46/49/19/1318464919.db2.gz TYALZZHVMGDBQS-CJNGLKHVSA-N 2 1 330.394 3.012 20 0 EGADMP C[NH+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000812826908 1318464926 /nfs/dbraw/zinc/46/49/26/1318464926.db2.gz TYALZZHVMGDBQS-CJNGLKHVSA-N 2 1 330.394 3.012 20 0 EGADMP CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021682594 1318555471 /nfs/dbraw/zinc/55/54/71/1318555471.db2.gz RTYCQYMSNMDYAK-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021682594 1318555477 /nfs/dbraw/zinc/55/54/77/1318555477.db2.gz RTYCQYMSNMDYAK-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021691358 1318567328 /nfs/dbraw/zinc/56/73/28/1318567328.db2.gz OWGRJICDVZMDNS-PMACEKPBSA-N 2 1 343.515 3.083 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000858490590 1328777273 /nfs/dbraw/zinc/77/72/73/1328777273.db2.gz KBYNQXBNQVPWHW-SJORKVTESA-N 2 1 329.488 3.196 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001022069972 1318788908 /nfs/dbraw/zinc/78/89/08/1318788908.db2.gz PUYJDZGAIZMPFA-LMCOJAPRSA-N 2 1 343.515 3.166 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001022077474 1318791840 /nfs/dbraw/zinc/79/18/40/1318791840.db2.gz POYWGWSVACEQOD-ZRNYENFQSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCC1 ZINC000960687265 1318792237 /nfs/dbraw/zinc/79/22/37/1318792237.db2.gz ZKOFKMQANSQIJN-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC000960687265 1318792245 /nfs/dbraw/zinc/79/22/45/1318792245.db2.gz ZKOFKMQANSQIJN-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC000960687265 1318792255 /nfs/dbraw/zinc/79/22/55/1318792255.db2.gz ZKOFKMQANSQIJN-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@@H+](C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C)CC1CCCCCC1 ZINC000960712807 1318818938 /nfs/dbraw/zinc/81/89/38/1318818938.db2.gz UYQAEFRWYZYKBF-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001022195583 1318837906 /nfs/dbraw/zinc/83/79/06/1318837906.db2.gz DKCBDAZUMGJMEZ-SLFFLAALSA-N 2 1 349.563 3.172 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001022200872 1318838356 /nfs/dbraw/zinc/83/83/56/1318838356.db2.gz ASWBZCYVQNPBDF-NSHGMRRFSA-N 2 1 345.531 3.131 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001022202172 1318840895 /nfs/dbraw/zinc/84/08/95/1318840895.db2.gz SIPOPPUMBHMPFV-NSHGMRRFSA-N 2 1 347.547 3.211 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001022585003 1319003971 /nfs/dbraw/zinc/00/39/71/1319003971.db2.gz INXQJHJYFMCZJX-AQNXPRMDSA-N 2 1 349.563 3.316 20 0 EGADMP Clc1ccccc1C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000815576408 1319019640 /nfs/dbraw/zinc/01/96/40/1319019640.db2.gz PSFHPXDORHSKLF-AOIWGVFYSA-N 2 1 334.891 3.114 20 0 EGADMP Clc1ccccc1C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000815576408 1319019646 /nfs/dbraw/zinc/01/96/46/1319019646.db2.gz PSFHPXDORHSKLF-AOIWGVFYSA-N 2 1 334.891 3.114 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC000960914626 1319060560 /nfs/dbraw/zinc/06/05/60/1319060560.db2.gz ISIAXIAHTZMKQY-FQEVSTJZSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022807736 1319119052 /nfs/dbraw/zinc/11/90/52/1319119052.db2.gz MNANXXGIIBPDGN-ZCNNSNEGSA-N 2 1 349.563 3.457 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC000961033363 1319157578 /nfs/dbraw/zinc/15/75/78/1319157578.db2.gz ZDHUEVJIXAXPHV-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC000961170694 1319288612 /nfs/dbraw/zinc/28/86/12/1319288612.db2.gz QVBWEORPMJEXHO-HZPDHXFCSA-N 2 1 349.544 3.004 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000817286001 1319314568 /nfs/dbraw/zinc/31/45/68/1319314568.db2.gz OXYIUESCHWDLBZ-INIZCTEOSA-N 2 1 348.362 3.062 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961281773 1319438082 /nfs/dbraw/zinc/43/80/82/1319438082.db2.gz IDKJCWWENKKCBA-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000817892163 1319453836 /nfs/dbraw/zinc/45/38/36/1319453836.db2.gz RQCIXABVNMRFLA-BEVDRBHNSA-N 2 1 349.478 3.349 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000817906218 1319456471 /nfs/dbraw/zinc/45/64/71/1319456471.db2.gz YMNVMAMPKCYPEV-WQTXXOFMSA-N 2 1 334.463 3.421 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3COC4(CCCCC4)O3)CC[NH2+]2)cc1 ZINC000817919781 1319459751 /nfs/dbraw/zinc/45/97/51/1319459751.db2.gz YDMWCRYXROWIFL-QRVBRYPASA-N 2 1 330.472 3.145 20 0 EGADMP COc1cccc2[nH]cc(CC[NH2+][C@@H](Cc3ccccc3)[C@H](C)[NH3+])c21 ZINC000817920328 1319462086 /nfs/dbraw/zinc/46/20/86/1319462086.db2.gz IFHNYBHWXDYCFA-KXBFYZLASA-N 2 1 337.467 3.267 20 0 EGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817981227 1319485506 /nfs/dbraw/zinc/48/55/06/1319485506.db2.gz HPPROPNKFMGWSY-RDTXWAMCSA-N 2 1 331.460 3.201 20 0 EGADMP CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+](CC=C(C)C)C2)CC1)[NH+](C)C ZINC000961377422 1319535035 /nfs/dbraw/zinc/53/50/35/1319535035.db2.gz IMZGIEBPCRYSSV-WOJBJXKFSA-N 2 1 349.563 3.243 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023469766 1319567907 /nfs/dbraw/zinc/56/79/07/1319567907.db2.gz NGWUUPTVGJNKTJ-QGZVFWFLSA-N 2 1 342.487 3.212 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000818981743 1319603439 /nfs/dbraw/zinc/60/34/39/1319603439.db2.gz XZLWOXUBLCTNAV-CZUORRHYSA-N 2 1 330.394 3.060 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC001023569881 1319685112 /nfs/dbraw/zinc/68/51/12/1319685112.db2.gz VRZJBBFZPCEUNX-LJQANCHMSA-N 2 1 349.563 3.127 20 0 EGADMP C[N@@H+](Cc1ccc2nonc2c1)C1CCN(Cc2ccccc2)CC1 ZINC000821391130 1320010252 /nfs/dbraw/zinc/01/02/52/1320010252.db2.gz HYLRWXNDIGJGFH-UHFFFAOYSA-N 2 1 336.439 3.319 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000822455950 1320084019 /nfs/dbraw/zinc/08/40/19/1320084019.db2.gz NGBDAMNVNXKBFS-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H]1C(=O)N(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C[C@H]1C ZINC000840025424 1321015079 /nfs/dbraw/zinc/01/50/79/1321015079.db2.gz CDTHSEHATSTFOT-FGTMMUONSA-N 2 1 335.536 3.035 20 0 EGADMP C[C@H]1C(=O)N(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C[C@H]1C ZINC000840025424 1321015084 /nfs/dbraw/zinc/01/50/84/1321015084.db2.gz CDTHSEHATSTFOT-FGTMMUONSA-N 2 1 335.536 3.035 20 0 EGADMP Clc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000840722053 1321135247 /nfs/dbraw/zinc/13/52/47/1321135247.db2.gz FFEQDPCMWWUVST-ROUUACIJSA-N 2 1 348.918 3.430 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000840807826 1321153466 /nfs/dbraw/zinc/15/34/66/1321153466.db2.gz GODJICXUIKAHNX-JKSUJKDBSA-N 2 1 331.460 3.026 20 0 EGADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC)C2)ccc1OC(=O)CC ZINC000840886321 1321171348 /nfs/dbraw/zinc/17/13/48/1321171348.db2.gz BYAMXUMZPIJSHX-QGZVFWFLSA-N 2 1 348.487 3.222 20 0 EGADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)ccc1OC(=O)CC ZINC000840886321 1321171351 /nfs/dbraw/zinc/17/13/51/1321171351.db2.gz BYAMXUMZPIJSHX-QGZVFWFLSA-N 2 1 348.487 3.222 20 0 EGADMP C[N@@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000841690456 1321297629 /nfs/dbraw/zinc/29/76/29/1321297629.db2.gz VUXFRRBUJUCUAJ-QKLQHJQFSA-N 2 1 349.519 3.007 20 0 EGADMP COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000842473231 1321393288 /nfs/dbraw/zinc/39/32/88/1321393288.db2.gz RJPOZKNVJVXGEM-SFHVURJKSA-N 2 1 347.503 3.316 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c2cc1C ZINC000842474216 1321393546 /nfs/dbraw/zinc/39/35/46/1321393546.db2.gz KIRYPKFPHUDFNJ-APWZRJJASA-N 2 1 340.467 3.374 20 0 EGADMP CCc1ccc2c(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc(=O)oc2c1 ZINC000842474684 1321393596 /nfs/dbraw/zinc/39/35/96/1321393596.db2.gz WUDSIEGLSACBAB-APWZRJJASA-N 2 1 340.467 3.319 20 0 EGADMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1)c1ccc2ccccc2c1 ZINC000843354061 1321505052 /nfs/dbraw/zinc/50/50/52/1321505052.db2.gz VFGLRCWTIKVENY-APMMTJHUSA-N 2 1 339.483 3.219 20 0 EGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000843360693 1321505849 /nfs/dbraw/zinc/50/58/49/1321505849.db2.gz FZNNOTATFOUQQJ-MQVJKMGUSA-N 2 1 346.862 3.277 20 0 EGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000843360693 1321505854 /nfs/dbraw/zinc/50/58/54/1321505854.db2.gz FZNNOTATFOUQQJ-MQVJKMGUSA-N 2 1 346.862 3.277 20 0 EGADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1SC(F)(F)F ZINC000843362894 1321506764 /nfs/dbraw/zinc/50/67/64/1321506764.db2.gz UIBOTWRBGIHHAK-ZYHUDNBSSA-N 2 1 334.407 3.476 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1SC(F)(F)F ZINC000843362894 1321506767 /nfs/dbraw/zinc/50/67/67/1321506767.db2.gz UIBOTWRBGIHHAK-ZYHUDNBSSA-N 2 1 334.407 3.476 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)c2cc1C(C)C ZINC000843363054 1321507316 /nfs/dbraw/zinc/50/73/16/1321507316.db2.gz YDDYBYCWGKFBPY-LSDHHAIUSA-N 2 1 328.456 3.394 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c2cc1C ZINC000843387217 1321509356 /nfs/dbraw/zinc/50/93/56/1321509356.db2.gz FQHDRVCXGLNTLE-SJORKVTESA-N 2 1 340.467 3.231 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc(=O)oc2c1C ZINC000843386872 1321509944 /nfs/dbraw/zinc/50/99/44/1321509944.db2.gz DOCISLPFVFNXDP-IAGOWNOFSA-N 2 1 340.467 3.231 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C(=O)CC23CCCC3)CC1 ZINC000844699587 1321638159 /nfs/dbraw/zinc/63/81/59/1321638159.db2.gz VOULSIYCRHGIEG-SFHVURJKSA-N 2 1 347.547 3.466 20 0 EGADMP C[N@@H+](CCCCCC[NH3+])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000846218928 1321777604 /nfs/dbraw/zinc/77/76/04/1321777604.db2.gz ZICMOLNEBLIKHM-HOTGVXAUSA-N 2 1 331.287 3.402 20 0 EGADMP c1ccc(CC2([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCC2)cc1 ZINC000848539712 1321972563 /nfs/dbraw/zinc/97/25/63/1321972563.db2.gz IKXOCPIXJUXGIF-HXUWFJFHSA-N 2 1 328.500 3.385 20 0 EGADMP CC1(C)C[N@@H+](C2(CNC(=[NH2+])Nc3ccccc3)CCCCC2)CCO1 ZINC000849076401 1322068214 /nfs/dbraw/zinc/06/82/14/1322068214.db2.gz KJFZPDSCFQTPIR-UHFFFAOYSA-N 2 1 344.503 3.437 20 0 EGADMP CC1(C)C[N@H+](C2(CNC(=[NH2+])Nc3ccccc3)CCCCC2)CCO1 ZINC000849076401 1322068218 /nfs/dbraw/zinc/06/82/18/1322068218.db2.gz KJFZPDSCFQTPIR-UHFFFAOYSA-N 2 1 344.503 3.437 20 0 EGADMP CC[N@@H+](CCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)C1CC1 ZINC000849084105 1322071922 /nfs/dbraw/zinc/07/19/22/1322071922.db2.gz XKJNSCWGHCTMNS-UHFFFAOYSA-N 2 1 330.354 3.006 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000849101749 1322079331 /nfs/dbraw/zinc/07/93/31/1322079331.db2.gz KGNQHUGUPMOZHG-OAHLLOKOSA-N 2 1 342.409 3.194 20 0 EGADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000850399568 1322238220 /nfs/dbraw/zinc/23/82/20/1322238220.db2.gz MWYCPLHJEZRIMD-HEHGZKQESA-N 2 1 329.271 3.243 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000850400028 1322239224 /nfs/dbraw/zinc/23/92/24/1322239224.db2.gz XTCWBJPIKHCKEI-INIZCTEOSA-N 2 1 340.254 3.278 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)[C@@H](C)C1 ZINC000850522840 1322260567 /nfs/dbraw/zinc/26/05/67/1322260567.db2.gz NPKYRNHXBJAFBA-JKSUJKDBSA-N 2 1 339.524 3.144 20 0 EGADMP CC[C@H](C[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000921525167 1322339351 /nfs/dbraw/zinc/33/93/51/1322339351.db2.gz OKEYLJPJPZPWKX-YESZJQIVSA-N 2 1 339.524 3.144 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)[C@@H](C)C1 ZINC000921748648 1322391703 /nfs/dbraw/zinc/39/17/03/1322391703.db2.gz ZAVONHSMQOFKAS-QKLQHJQFSA-N 2 1 346.515 3.237 20 0 EGADMP CS[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000921979535 1322434124 /nfs/dbraw/zinc/43/41/24/1322434124.db2.gz FYVTXIFIMSTXHI-SLFFLAALSA-N 2 1 348.556 3.407 20 0 EGADMP CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000921979536 1322434396 /nfs/dbraw/zinc/43/43/96/1322434396.db2.gz FYVTXIFIMSTXHI-VAMGGRTRSA-N 2 1 348.556 3.407 20 0 EGADMP O[C@H](Cc1ccc2ccccc2c1)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923363160 1322740378 /nfs/dbraw/zinc/74/03/78/1322740378.db2.gz VQURJSJLCMUALB-BHIFYINESA-N 2 1 338.495 3.065 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000923388679 1322744488 /nfs/dbraw/zinc/74/44/88/1322744488.db2.gz TUNVIRIYSHJIMN-UVBJJODRSA-N 2 1 329.271 3.088 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000923388679 1322744492 /nfs/dbraw/zinc/74/44/92/1322744492.db2.gz TUNVIRIYSHJIMN-UVBJJODRSA-N 2 1 329.271 3.088 20 0 EGADMP COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000923443630 1322752664 /nfs/dbraw/zinc/75/26/64/1322752664.db2.gz UGNADCKLCIPSAQ-QGZVFWFLSA-N 2 1 347.503 3.255 20 0 EGADMP CO[C@H](C)c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)cs1 ZINC000923509090 1322766207 /nfs/dbraw/zinc/76/62/07/1322766207.db2.gz YYKZLVAFEXZROT-HUUCEWRRSA-N 2 1 337.533 3.452 20 0 EGADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000924673829 1323105741 /nfs/dbraw/zinc/10/57/41/1323105741.db2.gz YSSAKSKTSATWIH-HLIPFELVSA-N 2 1 343.515 3.208 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cnnn1C ZINC000924680834 1323109754 /nfs/dbraw/zinc/10/97/54/1323109754.db2.gz SYZITROGIFRTAP-CVEARBPZSA-N 2 1 327.476 3.040 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cnnn1C ZINC000924680834 1323109756 /nfs/dbraw/zinc/10/97/56/1323109756.db2.gz SYZITROGIFRTAP-CVEARBPZSA-N 2 1 327.476 3.040 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC3=CCCCC3)C2)CC[N@H+]1C ZINC001024120100 1323149363 /nfs/dbraw/zinc/14/93/63/1323149363.db2.gz KHZITVNKFPIFBG-SXLOBPIMSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024156403 1323178190 /nfs/dbraw/zinc/17/81/90/1323178190.db2.gz MWNFOTBRGYSTHZ-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC000963155853 1323220408 /nfs/dbraw/zinc/22/04/08/1323220408.db2.gz CQOFNGVNBXFSRZ-CTWPCTMYSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc(C3OCCO3)cc2)CC1 ZINC000925059293 1323261675 /nfs/dbraw/zinc/26/16/75/1323261675.db2.gz GANZEKZICCPNKJ-UHFFFAOYSA-N 2 1 332.488 3.332 20 0 EGADMP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000853106126 1323284073 /nfs/dbraw/zinc/28/40/73/1323284073.db2.gz QUIOWSQUAUKWJJ-FPOVZHCZSA-N 2 1 339.483 3.007 20 0 EGADMP O=C(NC[C@@H]1CCCC[N@H+]1CC1CC1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440952 1323404847 /nfs/dbraw/zinc/40/48/47/1323404847.db2.gz VTKWIMAQEHJQEZ-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCCC[NH+]1CC1CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440952 1323404853 /nfs/dbraw/zinc/40/48/53/1323404853.db2.gz VTKWIMAQEHJQEZ-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCCC[NH+]1CC1CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440952 1323404856 /nfs/dbraw/zinc/40/48/56/1323404856.db2.gz VTKWIMAQEHJQEZ-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC2CC(C)(C)C2)CC[N@H+]1C ZINC001024448040 1323407720 /nfs/dbraw/zinc/40/77/20/1323407720.db2.gz ASHSRZNRYUJHNY-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC2CC(C)(C)C2)CC[NH+]1C ZINC001024448040 1323407727 /nfs/dbraw/zinc/40/77/27/1323407727.db2.gz ASHSRZNRYUJHNY-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CC2CC(C)(C)C2)CC[NH+]1C ZINC001024448040 1323407731 /nfs/dbraw/zinc/40/77/31/1323407731.db2.gz ASHSRZNRYUJHNY-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CC1 ZINC001024462425 1323417801 /nfs/dbraw/zinc/41/78/01/1323417801.db2.gz RNABHQVRZAGIHI-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CC1 ZINC001024462425 1323417806 /nfs/dbraw/zinc/41/78/06/1323417806.db2.gz RNABHQVRZAGIHI-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001024524769 1323470536 /nfs/dbraw/zinc/47/05/36/1323470536.db2.gz ZWCUFYQWYGBOIV-OALUTQOASA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024524769 1323470538 /nfs/dbraw/zinc/47/05/38/1323470538.db2.gz ZWCUFYQWYGBOIV-OALUTQOASA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024524769 1323470540 /nfs/dbraw/zinc/47/05/40/1323470540.db2.gz ZWCUFYQWYGBOIV-OALUTQOASA-N 2 1 335.536 3.044 20 0 EGADMP CC1CCC(C[N@H+]2CCCC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001024633898 1323560520 /nfs/dbraw/zinc/56/05/20/1323560520.db2.gz OJHPOACAZYVKGN-AFMYVXGZSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1CC1CCCCCC1)C12CC[NH+](CC1)C2 ZINC001024759530 1323660602 /nfs/dbraw/zinc/66/06/02/1323660602.db2.gz JJWMADJGRWZTKA-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1CCC1CCCCC1)C12CC[NH+](CC1)C2 ZINC001024760055 1323661482 /nfs/dbraw/zinc/66/14/82/1323661482.db2.gz PKVOSYJAAWGKEH-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1 ZINC001024813339 1323716131 /nfs/dbraw/zinc/71/61/31/1323716131.db2.gz ZLZLTKPOMVLAGJ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024813339 1323716134 /nfs/dbraw/zinc/71/61/34/1323716134.db2.gz ZLZLTKPOMVLAGJ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024813339 1323716142 /nfs/dbraw/zinc/71/61/42/1323716142.db2.gz ZLZLTKPOMVLAGJ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024812699 1323716577 /nfs/dbraw/zinc/71/65/77/1323716577.db2.gz RJPIATGBRWLYDB-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001024812699 1323716583 /nfs/dbraw/zinc/71/65/83/1323716583.db2.gz RJPIATGBRWLYDB-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CC(C)(C)C1 ZINC001024812699 1323716586 /nfs/dbraw/zinc/71/65/86/1323716586.db2.gz RJPIATGBRWLYDB-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001025008777 1323824069 /nfs/dbraw/zinc/82/40/69/1323824069.db2.gz BGSWRELWGUDADV-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)C[C@@H]2C1 ZINC000931432816 1329116223 /nfs/dbraw/zinc/11/62/23/1329116223.db2.gz GAHXKQDHURPGAD-CABCVRRESA-N 2 1 328.378 3.011 20 0 EGADMP CC(C)[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001025056640 1323861574 /nfs/dbraw/zinc/86/15/74/1323861574.db2.gz QFINVLWBQWJFDT-RTBURBONSA-N 2 1 335.536 3.163 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001025168431 1323937769 /nfs/dbraw/zinc/93/77/69/1323937769.db2.gz DLPMVQVSARGAOA-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1sccc1C[NH+](C)C ZINC001025236331 1324025872 /nfs/dbraw/zinc/02/58/72/1324025872.db2.gz FIIMGRPQWRGIJV-SJORKVTESA-N 2 1 349.544 3.289 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1sccc1C[NH+](C)C ZINC001025236331 1324025881 /nfs/dbraw/zinc/02/58/81/1324025881.db2.gz FIIMGRPQWRGIJV-SJORKVTESA-N 2 1 349.544 3.289 20 0 EGADMP CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1sccc1C[NH+](C)C ZINC001025236329 1324026640 /nfs/dbraw/zinc/02/66/40/1324026640.db2.gz FIIMGRPQWRGIJV-IRXDYDNUSA-N 2 1 349.544 3.289 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1sccc1C[NH+](C)C ZINC001025236329 1324026649 /nfs/dbraw/zinc/02/66/49/1324026649.db2.gz FIIMGRPQWRGIJV-IRXDYDNUSA-N 2 1 349.544 3.289 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279650 1324101889 /nfs/dbraw/zinc/10/18/89/1324101889.db2.gz FVOYQWWGDWNHHV-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475870 1324320957 /nfs/dbraw/zinc/32/09/57/1324320957.db2.gz VUJAJORDSUGJHS-AEFFLSMTSA-N 2 1 342.487 3.211 20 0 EGADMP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001025525404 1324371003 /nfs/dbraw/zinc/37/10/03/1324371003.db2.gz NWARCPUFKMBELE-PXNSSMCTSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001026465149 1324825148 /nfs/dbraw/zinc/82/51/48/1324825148.db2.gz KVTMBHISRMYLHL-CTWPCTMYSA-N 2 1 347.547 3.068 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2ccsc2)CC1 ZINC001026503833 1324853659 /nfs/dbraw/zinc/85/36/59/1324853659.db2.gz OLAJMAZXDAHJAD-DAWZGUTISA-N 2 1 349.544 3.140 20 0 EGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC2(C1)CCCC2 ZINC000925119147 1325053457 /nfs/dbraw/zinc/05/34/57/1325053457.db2.gz DBRSQCILRSVWBD-ICSRJNTNSA-N 2 1 328.500 3.182 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC2(C1)CCCC2 ZINC000925119147 1325053466 /nfs/dbraw/zinc/05/34/66/1325053466.db2.gz DBRSQCILRSVWBD-ICSRJNTNSA-N 2 1 328.500 3.182 20 0 EGADMP CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000963331401 1325117070 /nfs/dbraw/zinc/11/70/70/1325117070.db2.gz KCDJNOBVIPCKNQ-LMDPOFIKSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000963337323 1325126729 /nfs/dbraw/zinc/12/67/29/1325126729.db2.gz NWRBQSYCENIXEU-APWZRJJASA-N 2 1 340.471 3.061 20 0 EGADMP c1ccc(CN2CCC([NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)CC2)cc1 ZINC000925495295 1325176552 /nfs/dbraw/zinc/17/65/52/1325176552.db2.gz TWYCLIJLRYKVEG-VXKWHMMOSA-N 2 1 341.543 3.409 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383127 1325184038 /nfs/dbraw/zinc/18/40/38/1325184038.db2.gz MFEUQXLFLAAMLO-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000963385292 1325185344 /nfs/dbraw/zinc/18/53/44/1325185344.db2.gz FRVTUZBAMQDVQQ-SOAGJPPSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C23CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000925542709 1325200552 /nfs/dbraw/zinc/20/05/52/1325200552.db2.gz OICBEPHAFORGGZ-HOJAQTOUSA-N 2 1 327.516 3.304 20 0 EGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccnc2Oc2cccc(F)c2)C12CCC2 ZINC000925547397 1325202276 /nfs/dbraw/zinc/20/22/76/1325202276.db2.gz UPMWBBXAODIOCG-IRXDYDNUSA-N 2 1 327.403 3.373 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnnn2-c2ccccc2)C1 ZINC000925589652 1325223093 /nfs/dbraw/zinc/22/30/93/1325223093.db2.gz ZXMZVZVFDDBSDP-ROUUACIJSA-N 2 1 341.503 3.286 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnnn2-c2ccccc2)C1 ZINC000925589652 1325223098 /nfs/dbraw/zinc/22/30/98/1325223098.db2.gz ZXMZVZVFDDBSDP-ROUUACIJSA-N 2 1 341.503 3.286 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cc(CO)on1 ZINC000925614775 1325231337 /nfs/dbraw/zinc/23/13/37/1325231337.db2.gz KOYXOWQIBNHADE-SOLBZPMBSA-N 2 1 343.471 3.118 20 0 EGADMP CCON1CCC([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000925613163 1325232151 /nfs/dbraw/zinc/23/21/51/1325232151.db2.gz AQPHQGZAHLUGHI-AZUAARDMSA-N 2 1 345.531 3.293 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963426410 1325234304 /nfs/dbraw/zinc/23/43/04/1325234304.db2.gz AHQLDONPQMVHTN-WOJBJXKFSA-N 2 1 349.563 3.366 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC000963444217 1325251365 /nfs/dbraw/zinc/25/13/65/1325251365.db2.gz VRLLYJUIZIDMCA-MOPGFXCFSA-N 2 1 346.519 3.022 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C12CCC2 ZINC000925657947 1325252078 /nfs/dbraw/zinc/25/20/78/1325252078.db2.gz VPNOMEADAZGPHC-MGPQQGTHSA-N 2 1 348.796 3.252 20 0 EGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000925676784 1325259024 /nfs/dbraw/zinc/25/90/24/1325259024.db2.gz PAGCYOHBBXQHHA-JEDRFMAYSA-N 3 1 341.543 3.394 20 0 EGADMP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000925861179 1325334134 /nfs/dbraw/zinc/33/41/34/1325334134.db2.gz ODGIIIWSZFNSLM-JWFWCLOMSA-N 3 1 327.516 3.476 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000856762798 1325519923 /nfs/dbraw/zinc/51/99/23/1325519923.db2.gz WTWHZJCALZYYGD-IBGZPJMESA-N 2 1 343.515 3.098 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)CC3CCCCC3)C2)CC[N@H+]1C ZINC001027418218 1327643325 /nfs/dbraw/zinc/64/33/25/1327643325.db2.gz UOZWZPKEDABQRN-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@H+](C)CC3CCCCC3)C2)CC[NH+]1C ZINC001027418218 1327643332 /nfs/dbraw/zinc/64/33/32/1327643332.db2.gz UOZWZPKEDABQRN-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)CC3CCCCC3)C2)CC[NH+]1C ZINC001027418218 1327643347 /nfs/dbraw/zinc/64/33/47/1327643347.db2.gz UOZWZPKEDABQRN-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001027459731 1327703943 /nfs/dbraw/zinc/70/39/43/1327703943.db2.gz AFEVXGRZTDTOQY-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCCC2)C1)[NH+](C)C ZINC001027461564 1327707327 /nfs/dbraw/zinc/70/73/27/1327707327.db2.gz MZQFTZHLEAOWCV-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH+](C)CC3CCCC3)C2)C1 ZINC001027542372 1327844722 /nfs/dbraw/zinc/84/47/22/1327844722.db2.gz KWZAHCDFSUGXGY-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@H]([N@H+](C)CC3CCCC3)C2)C1 ZINC001027542372 1327844731 /nfs/dbraw/zinc/84/47/31/1327844731.db2.gz KWZAHCDFSUGXGY-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@H]([N@@H+](C)CC3CCCC3)C2)C1 ZINC001027542372 1327844739 /nfs/dbraw/zinc/84/47/39/1327844739.db2.gz KWZAHCDFSUGXGY-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH+](C)CCC2CCCCC2)C1 ZINC001027576761 1327912732 /nfs/dbraw/zinc/91/27/32/1327912732.db2.gz WHFGWXVRASZJJM-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCCC2)C1 ZINC001027576761 1327912737 /nfs/dbraw/zinc/91/27/37/1327912737.db2.gz WHFGWXVRASZJJM-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC001027576761 1327912746 /nfs/dbraw/zinc/91/27/46/1327912746.db2.gz WHFGWXVRASZJJM-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCCC2)C1 ZINC001027682004 1328079828 /nfs/dbraw/zinc/07/98/28/1328079828.db2.gz IBMROWSTVRJWOE-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC001027682004 1328079834 /nfs/dbraw/zinc/07/98/34/1328079834.db2.gz IBMROWSTVRJWOE-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP C[N@@H+](Cc1ccsc1)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694488 1328100552 /nfs/dbraw/zinc/10/05/52/1328100552.db2.gz ZZFZJVPYYVYJSV-SFHVURJKSA-N 2 1 349.544 3.047 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC2CCCC2)C1 ZINC001027695367 1328102124 /nfs/dbraw/zinc/10/21/24/1328102124.db2.gz RZQYUVPUHYKLPH-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027695367 1328102128 /nfs/dbraw/zinc/10/21/28/1328102128.db2.gz RZQYUVPUHYKLPH-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027695367 1328102135 /nfs/dbraw/zinc/10/21/35/1328102135.db2.gz RZQYUVPUHYKLPH-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H](C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000928012314 1328171780 /nfs/dbraw/zinc/17/17/80/1328171780.db2.gz WOMNEBSPWHTMQO-UOODJLLFSA-N 2 1 335.536 3.161 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001027878854 1328345978 /nfs/dbraw/zinc/34/59/78/1328345978.db2.gz JGTAMKWMWJXHLG-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC001027878854 1328345983 /nfs/dbraw/zinc/34/59/83/1328345983.db2.gz JGTAMKWMWJXHLG-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1=CCCCC1 ZINC001027878854 1328345992 /nfs/dbraw/zinc/34/59/92/1328345992.db2.gz JGTAMKWMWJXHLG-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027918445 1328396073 /nfs/dbraw/zinc/39/60/73/1328396073.db2.gz NPNUVZMAANHHRT-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC001027918445 1328396081 /nfs/dbraw/zinc/39/60/81/1328396081.db2.gz NPNUVZMAANHHRT-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCCC1 ZINC001027918445 1328396087 /nfs/dbraw/zinc/39/60/87/1328396087.db2.gz NPNUVZMAANHHRT-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027929847 1328408365 /nfs/dbraw/zinc/40/83/65/1328408365.db2.gz JXEWUBOUCHMETQ-OALUTQOASA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929847 1328408374 /nfs/dbraw/zinc/40/83/74/1328408374.db2.gz JXEWUBOUCHMETQ-OALUTQOASA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001027929847 1328408380 /nfs/dbraw/zinc/40/83/80/1328408380.db2.gz JXEWUBOUCHMETQ-OALUTQOASA-N 2 1 349.563 3.410 20 0 EGADMP Cc1c(C(=O)NC[C@H]2CCC[N@H+]2CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001027982535 1328455797 /nfs/dbraw/zinc/45/57/97/1328455797.db2.gz SNWPRGYUDMCNCH-MRXNPFEDSA-N 2 1 342.487 3.273 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1=CCCCC1 ZINC001027986380 1328457210 /nfs/dbraw/zinc/45/72/10/1328457210.db2.gz VRDIZUPSORNIHN-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001027986380 1328457213 /nfs/dbraw/zinc/45/72/13/1328457213.db2.gz VRDIZUPSORNIHN-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001027986380 1328457219 /nfs/dbraw/zinc/45/72/19/1328457219.db2.gz VRDIZUPSORNIHN-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CC[C@H]([NH3+])c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000863661047 1329571855 /nfs/dbraw/zinc/57/18/55/1329571855.db2.gz IDOYXTGNMGVWKW-INIZCTEOSA-N 2 1 332.448 3.113 20 0 EGADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2cc(F)ccc2F)n1 ZINC000865416758 1329694448 /nfs/dbraw/zinc/69/44/48/1329694448.db2.gz KZMOZIYSIYDBCT-JKSUJKDBSA-N 2 1 346.425 3.082 20 0 EGADMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2cc(F)ccc2F)n1 ZINC000865416758 1329694449 /nfs/dbraw/zinc/69/44/49/1329694449.db2.gz KZMOZIYSIYDBCT-JKSUJKDBSA-N 2 1 346.425 3.082 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3c(F)cccc32)CC1 ZINC000866231886 1330081545 /nfs/dbraw/zinc/08/15/45/1330081545.db2.gz BVENQKBUFWVJKM-FQEVSTJZSA-N 2 1 333.495 3.210 20 0 EGADMP COc1ccccc1-c1nc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)co1 ZINC000866666109 1330139088 /nfs/dbraw/zinc/13/90/88/1330139088.db2.gz NVGAAOOUCXXHGR-CVEARBPZSA-N 2 1 341.455 3.172 20 0 EGADMP COc1ccccc1-c1nc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)co1 ZINC000866667263 1330139543 /nfs/dbraw/zinc/13/95/43/1330139543.db2.gz HEOUPSBQCKQRHA-KFWWJZLASA-N 2 1 329.444 3.155 20 0 EGADMP COc1ccccc1-c1nc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)co1 ZINC000866667263 1330139544 /nfs/dbraw/zinc/13/95/44/1330139544.db2.gz HEOUPSBQCKQRHA-KFWWJZLASA-N 2 1 329.444 3.155 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940747936 1331177843 /nfs/dbraw/zinc/17/78/43/1331177843.db2.gz SFQMMLNCEQSMJA-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]1C[N@@H+](CCCC2CCC2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942257108 1331889927 /nfs/dbraw/zinc/88/99/27/1331889927.db2.gz JDCKHWFRZGCTQM-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557188 1331971782 /nfs/dbraw/zinc/97/17/82/1331971782.db2.gz CKKXCWUWUVRTAD-WMZOPIPTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[N@H+](CCC2CCCCCC2)CC[C@H]1NC(=O)Cc1cnc[nH]1 ZINC000943175829 1332113887 /nfs/dbraw/zinc/11/38/87/1332113887.db2.gz IQTGVJWMLOZIAK-VQIMIIECSA-N 2 1 346.519 3.139 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)CC[C@H]1NC(=O)Cc1cnc[nH]1 ZINC000943175829 1332113890 /nfs/dbraw/zinc/11/38/90/1332113890.db2.gz IQTGVJWMLOZIAK-VQIMIIECSA-N 2 1 346.519 3.139 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2CC1 ZINC000946645302 1332870153 /nfs/dbraw/zinc/87/01/53/1332870153.db2.gz QTPWRNSHWOOSHG-CEXWTWQISA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]2CC1 ZINC000946645302 1332870155 /nfs/dbraw/zinc/87/01/55/1332870155.db2.gz QTPWRNSHWOOSHG-CEXWTWQISA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCCC1CCCC1 ZINC000947684708 1333222744 /nfs/dbraw/zinc/22/27/44/1333222744.db2.gz JNKCECVXNRZOFW-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947776453 1333258292 /nfs/dbraw/zinc/25/82/92/1333258292.db2.gz WFVIRFWEXDGUFI-QFBILLFUSA-N 2 1 337.552 3.124 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCC(C)(C)C)[C@H](C)C2)CC1 ZINC000947851801 1333279378 /nfs/dbraw/zinc/27/93/78/1333279378.db2.gz ANDRPKXSDPLLIM-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000947853880 1333281199 /nfs/dbraw/zinc/28/11/99/1333281199.db2.gz XOVUTKHVKJOBQU-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCCC1CCCC1 ZINC000948040642 1333349863 /nfs/dbraw/zinc/34/98/63/1333349863.db2.gz REBYIOSNDNDIKZ-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC000948039398 1333350112 /nfs/dbraw/zinc/35/01/12/1333350112.db2.gz GPCKCLYFUFOREC-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCC1CCCCCC1 ZINC000948040126 1333350298 /nfs/dbraw/zinc/35/02/98/1333350298.db2.gz MXDRLSWMIYGQIW-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000948377117 1333501825 /nfs/dbraw/zinc/50/18/25/1333501825.db2.gz HCFMDOKPNUYUCT-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000948377117 1333501827 /nfs/dbraw/zinc/50/18/27/1333501827.db2.gz HCFMDOKPNUYUCT-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000948377117 1333501829 /nfs/dbraw/zinc/50/18/29/1333501829.db2.gz HCFMDOKPNUYUCT-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](F)C[N@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948594435 1333588967 /nfs/dbraw/zinc/58/89/67/1333588967.db2.gz MENNHKLHFNDQCV-DLBZAZTESA-N 2 1 346.450 3.009 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC3CCC3)CC2)C1 ZINC000948711873 1333643579 /nfs/dbraw/zinc/64/35/79/1333643579.db2.gz VKLQBVZXILYEJW-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](CC3CCC3)CC2)C1 ZINC000948711873 1333643582 /nfs/dbraw/zinc/64/35/82/1333643582.db2.gz VKLQBVZXILYEJW-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CC3CCC3)CC2)C1 ZINC000948711873 1333643586 /nfs/dbraw/zinc/64/35/86/1333643586.db2.gz VKLQBVZXILYEJW-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC000948738979 1333653575 /nfs/dbraw/zinc/65/35/75/1333653575.db2.gz SPYONNGSYUNPJA-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H](C(=O)N(C)[C@H]1CCC[N@@H+](CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC000948829473 1333701326 /nfs/dbraw/zinc/70/13/26/1333701326.db2.gz NOXZSOAQHXBEPN-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000948860806 1333712497 /nfs/dbraw/zinc/71/24/97/1333712497.db2.gz HEMWIOAWAMAWAI-HXUWFJFHSA-N 2 1 343.515 3.085 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CCCC2CCCC2)C1 ZINC000950466169 1334076439 /nfs/dbraw/zinc/07/64/39/1334076439.db2.gz LPFQLHARHYEXAV-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CCCC2CCCC2)C1 ZINC000950466169 1334076441 /nfs/dbraw/zinc/07/64/41/1334076441.db2.gz LPFQLHARHYEXAV-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[C@H](CC[NH+]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000950524457 1334084700 /nfs/dbraw/zinc/08/47/00/1334084700.db2.gz PWPXRSYBFHQSGP-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000951192651 1334203003 /nfs/dbraw/zinc/20/30/03/1334203003.db2.gz TWXMJDTZPBQKOW-OALUTQOASA-N 2 1 343.515 3.156 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CC2CCC(C)CC2)CC1 ZINC000951195428 1334204146 /nfs/dbraw/zinc/20/41/46/1334204146.db2.gz GTWZOBPTQWLRQV-MHJFOBGBSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1C[NH+](CCC(C)C)C1 ZINC000951362537 1334231598 /nfs/dbraw/zinc/23/15/98/1334231598.db2.gz SYOCFVXLNQDBGS-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1C[NH+](CCC(C)C)C1 ZINC000951362537 1334231600 /nfs/dbraw/zinc/23/16/00/1334231600.db2.gz SYOCFVXLNQDBGS-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000951628015 1334281388 /nfs/dbraw/zinc/28/13/88/1334281388.db2.gz FQLUVUIDYOWNNS-WOJBJXKFSA-N 2 1 345.531 3.038 20 0 EGADMP O=C([C@H]1CCC[C@@H]2CCC[N@H+]21)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000951628015 1334281391 /nfs/dbraw/zinc/28/13/91/1334281391.db2.gz FQLUVUIDYOWNNS-WOJBJXKFSA-N 2 1 345.531 3.038 20 0 EGADMP C[C@H]1CC[N@@H+](CC2=CCCCC2)C[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968330959 1335891850 /nfs/dbraw/zinc/89/18/50/1335891850.db2.gz ICJSNIIAFCGOCX-HKUYNNGSSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1CC[NH+](CC2=CCCCC2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000968330959 1335891851 /nfs/dbraw/zinc/89/18/51/1335891851.db2.gz ICJSNIIAFCGOCX-HKUYNNGSSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1CC[NH+](CC2=CCCCC2)C[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000968330959 1335891857 /nfs/dbraw/zinc/89/18/57/1335891857.db2.gz ICJSNIIAFCGOCX-HKUYNNGSSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CC3CCCC3)CC[C@H]2C)CC1 ZINC000968492345 1335940840 /nfs/dbraw/zinc/94/08/40/1335940840.db2.gz IBPGYZUEMKIITI-XLIONFOSSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CC[N@H+](CCC(C)(C)C)C[C@@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000968554893 1335960833 /nfs/dbraw/zinc/96/08/33/1335960833.db2.gz YIEYTMSHCJYCCQ-WBVHZDCISA-N 2 1 346.519 3.024 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC(C)(C)C)C[C@@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000968554893 1335960836 /nfs/dbraw/zinc/96/08/36/1335960836.db2.gz YIEYTMSHCJYCCQ-WBVHZDCISA-N 2 1 346.519 3.024 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC=C(C)C ZINC000968882188 1336078244 /nfs/dbraw/zinc/07/82/44/1336078244.db2.gz JFJWPGRVNCHEPT-MOPGFXCFSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC=C(C)C ZINC000968882188 1336078247 /nfs/dbraw/zinc/07/82/47/1336078247.db2.gz JFJWPGRVNCHEPT-MOPGFXCFSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC=C(C)C ZINC000968882188 1336078248 /nfs/dbraw/zinc/07/82/48/1336078248.db2.gz JFJWPGRVNCHEPT-MOPGFXCFSA-N 2 1 335.536 3.188 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1CCCC1 ZINC000968920453 1336088591 /nfs/dbraw/zinc/08/85/91/1336088591.db2.gz VTMXDZBWQGSTQF-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1CCCC1 ZINC000968920453 1336088594 /nfs/dbraw/zinc/08/85/94/1336088594.db2.gz VTMXDZBWQGSTQF-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CCCC1 ZINC000968920453 1336088598 /nfs/dbraw/zinc/08/85/98/1336088598.db2.gz VTMXDZBWQGSTQF-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CCCC1 ZINC000968920453 1336088600 /nfs/dbraw/zinc/08/86/00/1336088600.db2.gz VTMXDZBWQGSTQF-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1cccc(Cl)c1 ZINC000968922130 1336089543 /nfs/dbraw/zinc/08/95/43/1336089543.db2.gz RHYUCUNDCQORAT-RHSMWYFYSA-N 2 1 349.906 3.076 20 0 EGADMP O=C(NC[C@@H]1CCCCC[N@@H+]1C/C=C/Cl)c1ccn2c[nH+]cc2c1 ZINC000968936596 1336096241 /nfs/dbraw/zinc/09/62/41/1336096241.db2.gz LWQKPCKNHYWKLA-RRGWEWPQSA-N 2 1 346.862 3.061 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000968971294 1336105243 /nfs/dbraw/zinc/10/52/43/1336105243.db2.gz XOKGBXOOCCIEHP-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969100817 1336143336 /nfs/dbraw/zinc/14/33/36/1336143336.db2.gz IYGQLFLCTHFUAV-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)c1cccc(Cl)c1 ZINC000969627785 1336230557 /nfs/dbraw/zinc/23/05/57/1336230557.db2.gz UUQLSCUKFQECST-QGTPRVQTSA-N 2 1 349.906 3.076 20 0 EGADMP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001005498937 1336362065 /nfs/dbraw/zinc/36/20/65/1336362065.db2.gz YNWINTJFIZLJJK-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001005503312 1336363301 /nfs/dbraw/zinc/36/33/01/1336363301.db2.gz KBGSKFDAVWOCLE-AFMYVXGZSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2F)CC[C@H]1C[NH3+] ZINC001205601005 1370807207 /nfs/dbraw/zinc/80/72/07/1370807207.db2.gz CUAKVJZAKXOUEW-NEPJUHHUSA-N 2 1 329.257 3.395 20 0 EGADMP CN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CC[NH+](CC2CCCC2)CC1 ZINC001005585346 1336376411 /nfs/dbraw/zinc/37/64/11/1336376411.db2.gz RVDXSBQCEKOGPV-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001006296516 1336485385 /nfs/dbraw/zinc/48/53/85/1336485385.db2.gz ZHQBMKXUCLAACO-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001009043370 1336959405 /nfs/dbraw/zinc/95/94/05/1336959405.db2.gz BABURLYXGCYXTH-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001009607633 1337045280 /nfs/dbraw/zinc/04/52/80/1337045280.db2.gz CCZPMKATHDJUCG-FQEVSTJZSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014723019 1337884633 /nfs/dbraw/zinc/88/46/33/1337884633.db2.gz NYHAIJCUTZAPIF-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001014723019 1337884634 /nfs/dbraw/zinc/88/46/34/1337884634.db2.gz NYHAIJCUTZAPIF-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001014723019 1337884635 /nfs/dbraw/zinc/88/46/35/1337884635.db2.gz NYHAIJCUTZAPIF-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CCCC2CCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001014728090 1337888859 /nfs/dbraw/zinc/88/88/59/1337888859.db2.gz LBGILVPEXOSZQP-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CCCC2CCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001014728090 1337888862 /nfs/dbraw/zinc/88/88/62/1337888862.db2.gz LBGILVPEXOSZQP-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CCCC2CCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001014728090 1337888867 /nfs/dbraw/zinc/88/88/67/1337888867.db2.gz LBGILVPEXOSZQP-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CC[N@@H+](CC3CCCCC3)C2)ccc2c[nH+]cn21 ZINC001015032642 1337996432 /nfs/dbraw/zinc/99/64/32/1337996432.db2.gz LZMSSDARADSEMM-QGZVFWFLSA-N 2 1 340.471 3.027 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001015090771 1338013993 /nfs/dbraw/zinc/01/39/93/1338013993.db2.gz RSYBJDSSFYGMQQ-LJQANCHMSA-N 2 1 347.547 3.166 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001015388336 1338120969 /nfs/dbraw/zinc/12/09/69/1338120969.db2.gz PNVPWWHWJLDMSW-WOJBJXKFSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001015393040 1338121982 /nfs/dbraw/zinc/12/19/82/1338121982.db2.gz RGWKPYIABFLDJE-GOSISDBHSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001015500226 1338160783 /nfs/dbraw/zinc/16/07/83/1338160783.db2.gz SAIZUAKTYGYMLT-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001015791154 1338310964 /nfs/dbraw/zinc/31/09/64/1338310964.db2.gz BHQTYCUPJFQNDY-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001015791154 1338310965 /nfs/dbraw/zinc/31/09/65/1338310965.db2.gz BHQTYCUPJFQNDY-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001015791154 1338310969 /nfs/dbraw/zinc/31/09/69/1338310969.db2.gz BHQTYCUPJFQNDY-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001015791143 1338311521 /nfs/dbraw/zinc/31/15/21/1338311521.db2.gz BDUKRUYGWDGZIR-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001015791143 1338311523 /nfs/dbraw/zinc/31/15/23/1338311523.db2.gz BDUKRUYGWDGZIR-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001015791143 1338311527 /nfs/dbraw/zinc/31/15/27/1338311527.db2.gz BDUKRUYGWDGZIR-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001015793960 1338313219 /nfs/dbraw/zinc/31/32/19/1338313219.db2.gz DIXNVXCRZBXMEN-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001015793960 1338313221 /nfs/dbraw/zinc/31/32/21/1338313221.db2.gz DIXNVXCRZBXMEN-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001015793960 1338313223 /nfs/dbraw/zinc/31/32/23/1338313223.db2.gz DIXNVXCRZBXMEN-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001015974026 1338387537 /nfs/dbraw/zinc/38/75/37/1338387537.db2.gz WTZVCOCBTDPZGD-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001015974026 1338387541 /nfs/dbraw/zinc/38/75/41/1338387541.db2.gz WTZVCOCBTDPZGD-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001015974026 1338387546 /nfs/dbraw/zinc/38/75/46/1338387546.db2.gz WTZVCOCBTDPZGD-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001016331109 1338553735 /nfs/dbraw/zinc/55/37/35/1338553735.db2.gz WUKSKAQNHXCTLJ-LJQANCHMSA-N 2 1 343.515 3.133 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001017208440 1338954963 /nfs/dbraw/zinc/95/49/63/1338954963.db2.gz HHJUHRPGZQPWMR-ROUUACIJSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001017208440 1338954964 /nfs/dbraw/zinc/95/49/64/1338954964.db2.gz HHJUHRPGZQPWMR-ROUUACIJSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001017208440 1338954966 /nfs/dbraw/zinc/95/49/66/1338954966.db2.gz HHJUHRPGZQPWMR-ROUUACIJSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)C(C)C)C1)[NH+]1CCCCC1 ZINC001017265913 1338991472 /nfs/dbraw/zinc/99/14/72/1338991472.db2.gz GTYJIMCWBWLQBL-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001018024969 1339484628 /nfs/dbraw/zinc/48/46/28/1339484628.db2.gz DKTOADQXCWRZHB-ZCNNSNEGSA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001018024969 1339484631 /nfs/dbraw/zinc/48/46/31/1339484631.db2.gz DKTOADQXCWRZHB-ZCNNSNEGSA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001018024969 1339484634 /nfs/dbraw/zinc/48/46/34/1339484634.db2.gz DKTOADQXCWRZHB-ZCNNSNEGSA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001018051902 1339490952 /nfs/dbraw/zinc/49/09/52/1339490952.db2.gz LLFPYTQCOOYFMT-VNTMZGSJSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001018064948 1339493561 /nfs/dbraw/zinc/49/35/61/1339493561.db2.gz LTWXRMPGISVCJM-AHRSYUTCSA-N 2 1 343.515 3.083 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001018313838 1339572847 /nfs/dbraw/zinc/57/28/47/1339572847.db2.gz OJNLRROPONFRET-VNTMZGSJSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093644 1340421699 /nfs/dbraw/zinc/42/16/99/1340421699.db2.gz MWFWXGDYNOOHGT-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093644 1340421700 /nfs/dbraw/zinc/42/17/00/1340421700.db2.gz MWFWXGDYNOOHGT-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093644 1340421701 /nfs/dbraw/zinc/42/17/01/1340421701.db2.gz MWFWXGDYNOOHGT-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001028105648 1340428995 /nfs/dbraw/zinc/42/89/95/1340428995.db2.gz YKHYBJDRJIZTJA-SFHVURJKSA-N 2 1 345.487 3.036 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001028105648 1340428997 /nfs/dbraw/zinc/42/89/97/1340428997.db2.gz YKHYBJDRJIZTJA-SFHVURJKSA-N 2 1 345.487 3.036 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccsc1 ZINC001028181113 1340471249 /nfs/dbraw/zinc/47/12/49/1340471249.db2.gz NTEWTMWJFZGFRC-ZWKOTPCHSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccsc1 ZINC001028181113 1340471250 /nfs/dbraw/zinc/47/12/50/1340471250.db2.gz NTEWTMWJFZGFRC-ZWKOTPCHSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccsc1 ZINC001028181113 1340471253 /nfs/dbraw/zinc/47/12/53/1340471253.db2.gz NTEWTMWJFZGFRC-ZWKOTPCHSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCC2CCCC2)CC1 ZINC001028234836 1340496500 /nfs/dbraw/zinc/49/65/00/1340496500.db2.gz IOSXBDNUTZDSMN-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001028552167 1340696867 /nfs/dbraw/zinc/69/68/67/1340696867.db2.gz IFQNLAGRMDOGAN-SLFFLAALSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001028552167 1340696870 /nfs/dbraw/zinc/69/68/70/1340696870.db2.gz IFQNLAGRMDOGAN-SLFFLAALSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001028552167 1340696875 /nfs/dbraw/zinc/69/68/75/1340696875.db2.gz IFQNLAGRMDOGAN-SLFFLAALSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CC3CCCCCC3)C2)CC[N@H+]1C ZINC001028552566 1340697176 /nfs/dbraw/zinc/69/71/76/1340697176.db2.gz QGPMILFAQKXLLP-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001028552566 1340697177 /nfs/dbraw/zinc/69/71/77/1340697177.db2.gz QGPMILFAQKXLLP-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001028552566 1340697179 /nfs/dbraw/zinc/69/71/79/1340697179.db2.gz QGPMILFAQKXLLP-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1c(C(=O)NC[C@@H]2CC[N@@H+](CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001028647411 1340742001 /nfs/dbraw/zinc/74/20/01/1340742001.db2.gz GTASOXVXYHBZIE-INIZCTEOSA-N 2 1 342.487 3.131 20 0 EGADMP O=C(NC[C@@H]1CC[N@@H+](CCC2CC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028755637 1340791690 /nfs/dbraw/zinc/79/16/90/1340791690.db2.gz RDGJESNXGSELHW-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CC[NH+](CCC2CC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028755637 1340791693 /nfs/dbraw/zinc/79/16/93/1340791693.db2.gz RDGJESNXGSELHW-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CC[NH+](CCC2CC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028755637 1340791696 /nfs/dbraw/zinc/79/16/96/1340791696.db2.gz RDGJESNXGSELHW-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+](CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001028765699 1340798556 /nfs/dbraw/zinc/79/85/56/1340798556.db2.gz CKFFYFWDZANFFG-SXLOBPIMSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001028765699 1340798560 /nfs/dbraw/zinc/79/85/60/1340798560.db2.gz CKFFYFWDZANFFG-SXLOBPIMSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001028765699 1340798565 /nfs/dbraw/zinc/79/85/65/1340798565.db2.gz CKFFYFWDZANFFG-SXLOBPIMSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001029101654 1340930278 /nfs/dbraw/zinc/93/02/78/1340930278.db2.gz LUXMKZXIUIOKLM-SQGPQFPESA-N 2 1 347.547 3.044 20 0 EGADMP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001029111353 1340932435 /nfs/dbraw/zinc/93/24/35/1340932435.db2.gz GTBIZTHTFWJTHX-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001029134318 1340939306 /nfs/dbraw/zinc/93/93/06/1340939306.db2.gz SCZDRMPSMOGIRT-XLIONFOSSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001029375057 1340980067 /nfs/dbraw/zinc/98/00/67/1340980067.db2.gz CZOXDCKOBIGCRN-OTWHNJEPSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001029375057 1340980068 /nfs/dbraw/zinc/98/00/68/1340980068.db2.gz CZOXDCKOBIGCRN-OTWHNJEPSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001029375057 1340980069 /nfs/dbraw/zinc/98/00/69/1340980069.db2.gz CZOXDCKOBIGCRN-OTWHNJEPSA-N 2 1 349.563 3.218 20 0 EGADMP C[N@@H+](C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1)CC1CCC(C)(C)CC1 ZINC001029674133 1341039694 /nfs/dbraw/zinc/03/96/94/1341039694.db2.gz CQMIKLYSSYGGAK-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)CC1CCC(C)(C)CC1 ZINC001029674133 1341039695 /nfs/dbraw/zinc/03/96/95/1341039695.db2.gz CQMIKLYSSYGGAK-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1)CC1CCC(C)(C)CC1 ZINC001029674133 1341039696 /nfs/dbraw/zinc/03/96/96/1341039696.db2.gz CQMIKLYSSYGGAK-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001029753247 1341064285 /nfs/dbraw/zinc/06/42/85/1341064285.db2.gz BHUCUZGPGBQVHI-ZWKOTPCHSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1)[NH+]1CCCC1 ZINC001029910450 1341113589 /nfs/dbraw/zinc/11/35/89/1341113589.db2.gz LUFABTAKDVXSSD-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029910633 1341113610 /nfs/dbraw/zinc/11/36/10/1341113610.db2.gz SYLRPQKXEFQHFC-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001029910633 1341113613 /nfs/dbraw/zinc/11/36/13/1341113613.db2.gz SYLRPQKXEFQHFC-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001029910633 1341113615 /nfs/dbraw/zinc/11/36/15/1341113615.db2.gz SYLRPQKXEFQHFC-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccc(C)cc2)CC1)[NH+](C)C ZINC001029996621 1341151652 /nfs/dbraw/zinc/15/16/52/1341151652.db2.gz FICXMWZMMKVPEF-FQEVSTJZSA-N 2 1 345.531 3.006 20 0 EGADMP CC1CCC(C[N@@H+](C)CC2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001030013348 1341158061 /nfs/dbraw/zinc/15/80/61/1341158061.db2.gz FCLBMVJZAIGBCC-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H](C(=O)NC1C[NH+](CC2CCC(C)(C)CC2)C1)[NH+]1CCCCCC1 ZINC001031045549 1341269368 /nfs/dbraw/zinc/26/93/68/1341269368.db2.gz ODBPNGQUAVAQMY-KRWDZBQOSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001031081958 1341275630 /nfs/dbraw/zinc/27/56/30/1341275630.db2.gz DYBKPTBSSSYNTR-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001031081958 1341275632 /nfs/dbraw/zinc/27/56/32/1341275632.db2.gz DYBKPTBSSSYNTR-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001032489185 1341522871 /nfs/dbraw/zinc/52/28/71/1341522871.db2.gz WGXKRUSNVAPERB-OALUTQOASA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001032489185 1341522872 /nfs/dbraw/zinc/52/28/72/1341522872.db2.gz WGXKRUSNVAPERB-OALUTQOASA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001032489185 1341522873 /nfs/dbraw/zinc/52/28/73/1341522873.db2.gz WGXKRUSNVAPERB-OALUTQOASA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033074312 1341716211 /nfs/dbraw/zinc/71/62/11/1341716211.db2.gz YDXSPAPNXVWEKS-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033074312 1341716212 /nfs/dbraw/zinc/71/62/12/1341716212.db2.gz YDXSPAPNXVWEKS-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033074312 1341716213 /nfs/dbraw/zinc/71/62/13/1341716213.db2.gz YDXSPAPNXVWEKS-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CCC3CCCCCC3)C2)CC[N@H+]1C ZINC001033092003 1341720413 /nfs/dbraw/zinc/72/04/13/1341720413.db2.gz PMRVVVVVQBDXMM-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCC3CCCCCC3)C2)CC[NH+]1C ZINC001033092003 1341720414 /nfs/dbraw/zinc/72/04/14/1341720414.db2.gz PMRVVVVVQBDXMM-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCC3CCCCCC3)C2)CC[NH+]1C ZINC001033092003 1341720415 /nfs/dbraw/zinc/72/04/15/1341720415.db2.gz PMRVVVVVQBDXMM-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)c1sccc1C[NH+](C)C)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033123864 1341732505 /nfs/dbraw/zinc/73/25/05/1341732505.db2.gz SRLDMFKAIVVDDL-QGZVFWFLSA-N 2 1 349.544 3.146 20 0 EGADMP CN(C(=O)c1sccc1C[NH+](C)C)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033123864 1341732507 /nfs/dbraw/zinc/73/25/07/1341732507.db2.gz SRLDMFKAIVVDDL-QGZVFWFLSA-N 2 1 349.544 3.146 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033144774 1341738924 /nfs/dbraw/zinc/73/89/24/1341738924.db2.gz BQHRXBYOJVQLGX-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033144774 1341738925 /nfs/dbraw/zinc/73/89/25/1341738925.db2.gz BQHRXBYOJVQLGX-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033144774 1341738926 /nfs/dbraw/zinc/73/89/26/1341738926.db2.gz BQHRXBYOJVQLGX-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033146439 1341739857 /nfs/dbraw/zinc/73/98/57/1341739857.db2.gz PEUJONRPQOSHPU-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033146439 1341739859 /nfs/dbraw/zinc/73/98/59/1341739859.db2.gz PEUJONRPQOSHPU-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033146439 1341739860 /nfs/dbraw/zinc/73/98/60/1341739860.db2.gz PEUJONRPQOSHPU-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001033265492 1341763303 /nfs/dbraw/zinc/76/33/03/1341763303.db2.gz ICTFKZAWMVRVDE-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001033265492 1341763305 /nfs/dbraw/zinc/76/33/05/1341763305.db2.gz ICTFKZAWMVRVDE-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001033354081 1341794147 /nfs/dbraw/zinc/79/41/47/1341794147.db2.gz NCRDNYQWSROBCJ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001033354081 1341794148 /nfs/dbraw/zinc/79/41/48/1341794148.db2.gz NCRDNYQWSROBCJ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001033354081 1341794149 /nfs/dbraw/zinc/79/41/49/1341794149.db2.gz NCRDNYQWSROBCJ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033472600 1341840042 /nfs/dbraw/zinc/84/00/42/1341840042.db2.gz YXPRSOFBMQETAN-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033472600 1341840044 /nfs/dbraw/zinc/84/00/44/1341840044.db2.gz YXPRSOFBMQETAN-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033472600 1341840046 /nfs/dbraw/zinc/84/00/46/1341840046.db2.gz YXPRSOFBMQETAN-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033684458 1341949809 /nfs/dbraw/zinc/94/98/09/1341949809.db2.gz FSQOOKFQQRDSEY-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033684458 1341949811 /nfs/dbraw/zinc/94/98/11/1341949811.db2.gz FSQOOKFQQRDSEY-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033684458 1341949813 /nfs/dbraw/zinc/94/98/13/1341949813.db2.gz FSQOOKFQQRDSEY-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033686564 1341951735 /nfs/dbraw/zinc/95/17/35/1341951735.db2.gz QQTJEAODDIXCOJ-LJQANCHMSA-N 2 1 345.531 3.331 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033686492 1341952017 /nfs/dbraw/zinc/95/20/17/1341952017.db2.gz PMVGWXMXTRDQOE-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033686492 1341952020 /nfs/dbraw/zinc/95/20/20/1341952020.db2.gz PMVGWXMXTRDQOE-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033686492 1341952023 /nfs/dbraw/zinc/95/20/23/1341952023.db2.gz PMVGWXMXTRDQOE-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033699751 1341966538 /nfs/dbraw/zinc/96/65/38/1341966538.db2.gz PQXDBONNXDIMGS-SJORKVTESA-N 2 1 349.519 3.314 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033989233 1342132965 /nfs/dbraw/zinc/13/29/65/1342132965.db2.gz MJQQYFRSUXJSOM-FQEVSTJZSA-N 2 1 343.515 3.085 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001033990794 1342134027 /nfs/dbraw/zinc/13/40/27/1342134027.db2.gz XRYCBASMKYQJCP-HNDWGLKSSA-N 2 1 349.906 3.037 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001033990794 1342134029 /nfs/dbraw/zinc/13/40/29/1342134029.db2.gz XRYCBASMKYQJCP-HNDWGLKSSA-N 2 1 349.906 3.037 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034203611 1342313867 /nfs/dbraw/zinc/31/38/67/1342313867.db2.gz FUUPVPOYTQXQHC-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034203611 1342313871 /nfs/dbraw/zinc/31/38/71/1342313871.db2.gz FUUPVPOYTQXQHC-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034203611 1342313874 /nfs/dbraw/zinc/31/38/74/1342313874.db2.gz FUUPVPOYTQXQHC-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3CC(C)(C)C3)C2)CC[N@H+]1C ZINC001034216712 1342322868 /nfs/dbraw/zinc/32/28/68/1342322868.db2.gz KBNLZTICVKTKIZ-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CC3CC(C)(C)C3)C2)CC[NH+]1C ZINC001034216712 1342322872 /nfs/dbraw/zinc/32/28/72/1342322872.db2.gz KBNLZTICVKTKIZ-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CC3CC(C)(C)C3)C2)CC[NH+]1C ZINC001034216712 1342322874 /nfs/dbraw/zinc/32/28/74/1342322874.db2.gz KBNLZTICVKTKIZ-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034240135 1342341437 /nfs/dbraw/zinc/34/14/37/1342341437.db2.gz POMDEUUMYPRUKH-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001034240135 1342341442 /nfs/dbraw/zinc/34/14/42/1342341442.db2.gz POMDEUUMYPRUKH-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001034240135 1342341445 /nfs/dbraw/zinc/34/14/45/1342341445.db2.gz POMDEUUMYPRUKH-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034240910 1342341602 /nfs/dbraw/zinc/34/16/02/1342341602.db2.gz ULWXZBFVHRWGKV-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC001034240910 1342341604 /nfs/dbraw/zinc/34/16/04/1342341604.db2.gz ULWXZBFVHRWGKV-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC(C)(C)C)C1 ZINC001034240910 1342341606 /nfs/dbraw/zinc/34/16/06/1342341606.db2.gz ULWXZBFVHRWGKV-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034251235 1342348015 /nfs/dbraw/zinc/34/80/15/1342348015.db2.gz XJHAFDKDXHIKIJ-QUCCMNQESA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034251235 1342348019 /nfs/dbraw/zinc/34/80/19/1342348019.db2.gz XJHAFDKDXHIKIJ-QUCCMNQESA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034251235 1342348021 /nfs/dbraw/zinc/34/80/21/1342348021.db2.gz XJHAFDKDXHIKIJ-QUCCMNQESA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034292459 1342377240 /nfs/dbraw/zinc/37/72/40/1342377240.db2.gz RKZRQZHWMLDBQX-KRWDZBQOSA-N 2 1 342.487 3.355 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](CCC2=CCCCC2)C1 ZINC001034310444 1342393009 /nfs/dbraw/zinc/39/30/09/1342393009.db2.gz YDDYQPMSRJQBDH-LJQANCHMSA-N 2 1 344.503 3.053 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](CCC2=CCCCC2)C1 ZINC001034310444 1342393011 /nfs/dbraw/zinc/39/30/11/1342393011.db2.gz YDDYQPMSRJQBDH-LJQANCHMSA-N 2 1 344.503 3.053 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCC(C)(C)C)C2)CC[N@H+]1C ZINC001034364105 1342434294 /nfs/dbraw/zinc/43/42/94/1342434294.db2.gz QTNZTRQXRYGYDD-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCC(C)(C)C)C2)CC[NH+]1C ZINC001034364105 1342434296 /nfs/dbraw/zinc/43/42/96/1342434296.db2.gz QTNZTRQXRYGYDD-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCC(C)(C)C)C2)CC[NH+]1C ZINC001034364105 1342434299 /nfs/dbraw/zinc/43/42/99/1342434299.db2.gz QTNZTRQXRYGYDD-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001034431509 1342493034 /nfs/dbraw/zinc/49/30/34/1342493034.db2.gz LSVQULBPSJGSFC-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCCC[N@@H+](CC3CCC3)C2)c1 ZINC001034535163 1342591421 /nfs/dbraw/zinc/59/14/21/1342591421.db2.gz CBJWVHDWHHOXDH-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCCC[N@@H+](C/C=C\Cl)C1 ZINC001034543200 1342603728 /nfs/dbraw/zinc/60/37/28/1342603728.db2.gz ZLWJRFRKKHPDTF-GJBHZFNWSA-N 2 1 349.906 3.085 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](CC(C)C)C2)o1 ZINC001034543847 1342604679 /nfs/dbraw/zinc/60/46/79/1342604679.db2.gz BAQDWYKDROSQPC-KRWDZBQOSA-N 2 1 349.519 3.362 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC001034606842 1342645168 /nfs/dbraw/zinc/64/51/68/1342645168.db2.gz GDIAGGWHNGRWGQ-AFYVEPGGSA-N 2 1 343.515 3.167 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1 ZINC001034659186 1342675928 /nfs/dbraw/zinc/67/59/28/1342675928.db2.gz OPMZFTZTEZPRPF-UFYCRDLUSA-N 2 1 343.515 3.078 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1 ZINC001034750840 1342738091 /nfs/dbraw/zinc/73/80/91/1342738091.db2.gz ZNXGINGKMSHYJS-FHWLQOOXSA-N 2 1 335.536 3.066 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1 ZINC001034776108 1342754017 /nfs/dbraw/zinc/75/40/17/1342754017.db2.gz YFBSPZJVTJNDCI-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cc1 ZINC001034821928 1342784024 /nfs/dbraw/zinc/78/40/24/1342784024.db2.gz AYVWXJIUHAGLEJ-HXUWFJFHSA-N 2 1 343.515 3.209 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001034982208 1342864145 /nfs/dbraw/zinc/86/41/45/1342864145.db2.gz YLCUZFKDDSZNMW-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+]1CCC(C(=O)N2CCC3(CC[N@@H+](CCC(C)(C)C)C3)CC2)CC1 ZINC001035223357 1343044027 /nfs/dbraw/zinc/04/40/27/1343044027.db2.gz QEVIFYFEOVANLQ-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035707841 1343144595 /nfs/dbraw/zinc/14/45/95/1343144595.db2.gz RMIIREXPDSGUFM-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035741375 1343162971 /nfs/dbraw/zinc/16/29/71/1343162971.db2.gz MEKKZKIXTIJBIP-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]([NH2+]CCC2CC2)[C@@H](C)C1 ZINC001036205858 1343363010 /nfs/dbraw/zinc/36/30/10/1343363010.db2.gz YQBZUZARBQDJRM-WMZOPIPTSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001036408679 1343469717 /nfs/dbraw/zinc/46/97/17/1343469717.db2.gz FYTNGPQNSDXECT-FUHWJXTLSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CC1CCC1 ZINC001036580838 1343564253 /nfs/dbraw/zinc/56/42/53/1343564253.db2.gz IKHGWEQJLPTCCT-WMZOPIPTSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820384 1343758498 /nfs/dbraw/zinc/75/84/98/1343758498.db2.gz IBWCGKWIZDSGNC-QZTJIDSGSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820384 1343758502 /nfs/dbraw/zinc/75/85/02/1343758502.db2.gz IBWCGKWIZDSGNC-QZTJIDSGSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820384 1343758505 /nfs/dbraw/zinc/75/85/05/1343758505.db2.gz IBWCGKWIZDSGNC-QZTJIDSGSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001037216945 1344049029 /nfs/dbraw/zinc/04/90/29/1344049029.db2.gz SXJBVWDIQHOMHT-OALUTQOASA-N 2 1 346.519 3.036 20 0 EGADMP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1[NH2+]CC1CC1 ZINC001037929348 1344187741 /nfs/dbraw/zinc/18/77/41/1344187741.db2.gz HOJYVSWEDPIHSR-QZTJIDSGSA-N 2 1 346.519 3.023 20 0 EGADMP CCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1CC ZINC001037934546 1344189862 /nfs/dbraw/zinc/18/98/62/1344189862.db2.gz NJUWMQSNOKCSQP-SJORKVTESA-N 2 1 334.508 3.023 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038462443 1344434375 /nfs/dbraw/zinc/43/43/75/1344434375.db2.gz LRNXJBKNTUYLKC-WMZOPIPTSA-N 2 1 348.450 3.208 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001038650163 1344522328 /nfs/dbraw/zinc/52/23/28/1344522328.db2.gz CEVJZIPTEPERIQ-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCC1 ZINC001038650163 1344522332 /nfs/dbraw/zinc/52/23/32/1344522332.db2.gz CEVJZIPTEPERIQ-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001038780714 1344582737 /nfs/dbraw/zinc/58/27/37/1344582737.db2.gz MVTURGOCEGBNIY-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001038780714 1344582739 /nfs/dbraw/zinc/58/27/39/1344582739.db2.gz MVTURGOCEGBNIY-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCC1 ZINC001038908081 1344645911 /nfs/dbraw/zinc/64/59/11/1344645911.db2.gz HNHFDTUJIWLOMI-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCC1 ZINC001038908081 1344645916 /nfs/dbraw/zinc/64/59/16/1344645916.db2.gz HNHFDTUJIWLOMI-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCCC1CCC1 ZINC001038908081 1344645917 /nfs/dbraw/zinc/64/59/17/1344645917.db2.gz HNHFDTUJIWLOMI-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+]1CC1=CCCCC1 ZINC001039049720 1344735412 /nfs/dbraw/zinc/73/54/12/1344735412.db2.gz MLFNLINSPSSPJX-IBGZPJMESA-N 2 1 341.499 3.053 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001039131590 1344809047 /nfs/dbraw/zinc/80/90/47/1344809047.db2.gz QEMGVPKCDCSLGH-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([C@@H]3CC[NH+](C(C)C)C3)CC2)C1 ZINC001039152358 1344836306 /nfs/dbraw/zinc/83/63/06/1344836306.db2.gz XPOXQZYWGQUEAM-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC([C@@H]3CC[N@@H+](C(C)C)C3)CC2)C1 ZINC001039152358 1344836309 /nfs/dbraw/zinc/83/63/09/1344836309.db2.gz XPOXQZYWGQUEAM-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC([C@@H]3CC[N@H+](C(C)C)C3)CC2)C1 ZINC001039152358 1344836315 /nfs/dbraw/zinc/83/63/15/1344836315.db2.gz XPOXQZYWGQUEAM-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039155838 1344840844 /nfs/dbraw/zinc/84/08/44/1344840844.db2.gz DUBKLIRFHUQLMY-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039233835 1344954267 /nfs/dbraw/zinc/95/42/67/1344954267.db2.gz FIUZCWXOGFHXCO-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039233835 1344954268 /nfs/dbraw/zinc/95/42/68/1344954268.db2.gz FIUZCWXOGFHXCO-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001039383046 1345037784 /nfs/dbraw/zinc/03/77/84/1345037784.db2.gz SZYOYZTVSXXYCX-SJORKVTESA-N 2 1 349.544 3.289 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001039383046 1345037788 /nfs/dbraw/zinc/03/77/88/1345037788.db2.gz SZYOYZTVSXXYCX-SJORKVTESA-N 2 1 349.544 3.289 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001039384878 1345038420 /nfs/dbraw/zinc/03/84/20/1345038420.db2.gz OXHAXFPQTCRWHT-AQNXPRMDSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001039384878 1345038425 /nfs/dbraw/zinc/03/84/25/1345038425.db2.gz OXHAXFPQTCRWHT-AQNXPRMDSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001039384878 1345038426 /nfs/dbraw/zinc/03/84/26/1345038426.db2.gz OXHAXFPQTCRWHT-AQNXPRMDSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001039386745 1345039203 /nfs/dbraw/zinc/03/92/03/1345039203.db2.gz BSGSMRSLXAMDSX-AABGKKOBSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001039386745 1345039205 /nfs/dbraw/zinc/03/92/05/1345039205.db2.gz BSGSMRSLXAMDSX-AABGKKOBSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001039386745 1345039210 /nfs/dbraw/zinc/03/92/10/1345039210.db2.gz BSGSMRSLXAMDSX-AABGKKOBSA-N 2 1 349.563 3.361 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CC=C(C)C)C1 ZINC001039861190 1345217859 /nfs/dbraw/zinc/21/78/59/1345217859.db2.gz ZWAWLOAJIPXQDD-AQNXPRMDSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CC=C(C)C)C1 ZINC001039861190 1345217864 /nfs/dbraw/zinc/21/78/64/1345217864.db2.gz ZWAWLOAJIPXQDD-AQNXPRMDSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC=C(C)C)C1 ZINC001039861190 1345217866 /nfs/dbraw/zinc/21/78/66/1345217866.db2.gz ZWAWLOAJIPXQDD-AQNXPRMDSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCC(C)CC1)[NH+](C)C ZINC001039919482 1345245831 /nfs/dbraw/zinc/24/58/31/1345245831.db2.gz AHHZESXDKUJXPK-VWAQSERHSA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC ZINC001039969611 1345271476 /nfs/dbraw/zinc/27/14/76/1345271476.db2.gz OTJOPELAXKQJRQ-CEXWTWQISA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC ZINC001039969611 1345271477 /nfs/dbraw/zinc/27/14/77/1345271477.db2.gz OTJOPELAXKQJRQ-CEXWTWQISA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC ZINC001039969611 1345271482 /nfs/dbraw/zinc/27/14/82/1345271482.db2.gz OTJOPELAXKQJRQ-CEXWTWQISA-N 2 1 335.536 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001040226900 1345384790 /nfs/dbraw/zinc/38/47/90/1345384790.db2.gz AODATORXVAHRET-IBGZPJMESA-N 2 1 349.544 3.148 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040322289 1345431524 /nfs/dbraw/zinc/43/15/24/1345431524.db2.gz JEBSJDSFLUFIIE-NRFANRHFSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040323346 1345432429 /nfs/dbraw/zinc/43/24/29/1345432429.db2.gz QGFFZQUYDAZPJR-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CCCC1)C2)[NH+](C)C ZINC001040398040 1345475618 /nfs/dbraw/zinc/47/56/18/1345475618.db2.gz CRZIWRXQMIVNKP-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)Cc1cc(O[C@@H]2CC[C@@]23CC[NH2+]C3)ccc1Br ZINC001218115182 1373563209 /nfs/dbraw/zinc/56/32/09/1373563209.db2.gz FPCDCCBNVUFIFP-CVEARBPZSA-N 2 1 339.277 3.032 20 0 EGADMP CC(C)[N@H+]1CCC[C@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001040542467 1345538128 /nfs/dbraw/zinc/53/81/28/1345538128.db2.gz IYJGUAKRLJAJCP-NRFANRHFSA-N 2 1 343.515 3.085 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CC=C(C)C)C2 ZINC001040545821 1345540590 /nfs/dbraw/zinc/54/05/90/1345540590.db2.gz VDPNZMSPYICEHF-FPOVZHCZSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC=C(C)C)C2 ZINC001040545821 1345540595 /nfs/dbraw/zinc/54/05/95/1345540595.db2.gz VDPNZMSPYICEHF-FPOVZHCZSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC=C(C)C)C2 ZINC001040545821 1345540598 /nfs/dbraw/zinc/54/05/98/1345540598.db2.gz VDPNZMSPYICEHF-FPOVZHCZSA-N 2 1 347.547 3.142 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC2(C1)CC[NH+](C(C)C)CC2 ZINC001040706214 1345567945 /nfs/dbraw/zinc/56/79/45/1345567945.db2.gz PSZCPSMUPBYFLP-KRWDZBQOSA-N 2 1 346.519 3.120 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001040747306 1345573718 /nfs/dbraw/zinc/57/37/18/1345573718.db2.gz NQMDVQIUYXIGFW-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041307070 1345697399 /nfs/dbraw/zinc/69/73/99/1345697399.db2.gz NOFALTRYICHSPA-QKNQBKEWSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001041307070 1345697401 /nfs/dbraw/zinc/69/74/01/1345697401.db2.gz NOFALTRYICHSPA-QKNQBKEWSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001041307070 1345697403 /nfs/dbraw/zinc/69/74/03/1345697403.db2.gz NOFALTRYICHSPA-QKNQBKEWSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041842119 1345869684 /nfs/dbraw/zinc/86/96/84/1345869684.db2.gz BHQSPGFBBNCTAR-NRFANRHFSA-N 2 1 343.515 3.086 20 0 EGADMP CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845494 1345871666 /nfs/dbraw/zinc/87/16/66/1345871666.db2.gz FSBUJQJZVIOOJX-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847124 1345872232 /nfs/dbraw/zinc/87/22/32/1345872232.db2.gz JCMFEWOKLOIBGR-CTNGQTDRSA-N 2 1 343.515 3.014 20 0 EGADMP CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847124 1345872235 /nfs/dbraw/zinc/87/22/35/1345872235.db2.gz JCMFEWOKLOIBGR-CTNGQTDRSA-N 2 1 343.515 3.014 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042125639 1345950746 /nfs/dbraw/zinc/95/07/46/1345950746.db2.gz VZIBQXMBKAENOH-IEBWSBKVSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21 ZINC001042125639 1345950747 /nfs/dbraw/zinc/95/07/47/1345950747.db2.gz VZIBQXMBKAENOH-IEBWSBKVSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001042125639 1345950748 /nfs/dbraw/zinc/95/07/48/1345950748.db2.gz VZIBQXMBKAENOH-IEBWSBKVSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042233081 1345998390 /nfs/dbraw/zinc/99/83/90/1345998390.db2.gz CJGAJMUYJFNQCD-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042233081 1345998392 /nfs/dbraw/zinc/99/83/92/1345998392.db2.gz CJGAJMUYJFNQCD-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042233081 1345998395 /nfs/dbraw/zinc/99/83/95/1345998395.db2.gz CJGAJMUYJFNQCD-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042286691 1346017130 /nfs/dbraw/zinc/01/71/30/1346017130.db2.gz BUEZGPAZFVEKOO-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](CC2CCC(C(C)(C)C)CC2)C1 ZINC001042538355 1346087174 /nfs/dbraw/zinc/08/71/74/1346087174.db2.gz KAWLTLVLRVGLAQ-TVPLGVNVSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001042848790 1346120949 /nfs/dbraw/zinc/12/09/49/1346120949.db2.gz QDVLCXMMSWNJEU-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001042848790 1346120950 /nfs/dbraw/zinc/12/09/50/1346120950.db2.gz QDVLCXMMSWNJEU-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C1C[NH+](CCC2CCCCC2)C1 ZINC001042920244 1346125171 /nfs/dbraw/zinc/12/51/71/1346125171.db2.gz XJUZDISOGNZNJU-IBGZPJMESA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1C[NH+](CCCC2CCCC2)C1 ZINC001044034336 1346237146 /nfs/dbraw/zinc/23/71/46/1346237146.db2.gz LLJJAJDOPOQMCI-UYAOXDASSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1C[NH+](CCCC2CCCC2)C1 ZINC001044034336 1346237150 /nfs/dbraw/zinc/23/71/50/1346237150.db2.gz LLJJAJDOPOQMCI-UYAOXDASSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)C2C[NH+]([C@H](C)c3ccccc3)C2)CC1 ZINC001044127913 1346255630 /nfs/dbraw/zinc/25/56/30/1346255630.db2.gz CMKWZOIMFORPAB-QGZVFWFLSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001045061044 1346488168 /nfs/dbraw/zinc/48/81/68/1346488168.db2.gz RZZMLOQICSGMKS-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)c1 ZINC001045070858 1346489671 /nfs/dbraw/zinc/48/96/71/1346489671.db2.gz ZVWOOSKTIFJXMK-PXNSSMCTSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001045200924 1346528827 /nfs/dbraw/zinc/52/88/27/1346528827.db2.gz VCYYRCDOIOIRBR-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001045474849 1346602634 /nfs/dbraw/zinc/60/26/34/1346602634.db2.gz BTVSYENUTAEWDH-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001045475518 1346603190 /nfs/dbraw/zinc/60/31/90/1346603190.db2.gz JZSFZCIPCRVEQW-MOPGFXCFSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2(C)CC[NH+](CC3CCCC3)CC2)C1 ZINC001045532046 1346619806 /nfs/dbraw/zinc/61/98/06/1346619806.db2.gz XLHZTAVFDGENLY-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1(C)CC[NH+](CCC2=CCCCC2)CC1 ZINC001045557781 1346628580 /nfs/dbraw/zinc/62/85/80/1346628580.db2.gz VKRWKAYBTKSWNC-MJGOQNOKSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001045584552 1346637090 /nfs/dbraw/zinc/63/70/90/1346637090.db2.gz GRRMGAZAIPIGFY-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1 ZINC001045732845 1346682619 /nfs/dbraw/zinc/68/26/19/1346682619.db2.gz ZSUGEYACBAEFFN-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001045732845 1346682621 /nfs/dbraw/zinc/68/26/21/1346682621.db2.gz ZSUGEYACBAEFFN-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC001045876417 1346728862 /nfs/dbraw/zinc/72/88/62/1346728862.db2.gz JYTDUXTULQXERK-CEXWTWQISA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001045876417 1346728863 /nfs/dbraw/zinc/72/88/63/1346728863.db2.gz JYTDUXTULQXERK-CEXWTWQISA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001045876417 1346728866 /nfs/dbraw/zinc/72/88/66/1346728866.db2.gz JYTDUXTULQXERK-CEXWTWQISA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045938544 1346774114 /nfs/dbraw/zinc/77/41/14/1346774114.db2.gz FBZJEJYZKXNQQC-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001045938544 1346774117 /nfs/dbraw/zinc/77/41/17/1346774117.db2.gz FBZJEJYZKXNQQC-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001045938544 1346774119 /nfs/dbraw/zinc/77/41/19/1346774119.db2.gz FBZJEJYZKXNQQC-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001045974060 1346810222 /nfs/dbraw/zinc/81/02/22/1346810222.db2.gz XCSRWLYRUWWXJX-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045980165 1346817430 /nfs/dbraw/zinc/81/74/30/1346817430.db2.gz SFACSXHYPZFDDX-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001045980165 1346817431 /nfs/dbraw/zinc/81/74/31/1346817431.db2.gz SFACSXHYPZFDDX-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045980165 1346817435 /nfs/dbraw/zinc/81/74/35/1346817435.db2.gz SFACSXHYPZFDDX-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CC(C)C)C2)C1 ZINC001045986259 1346827945 /nfs/dbraw/zinc/82/79/45/1346827945.db2.gz MGIRODAHLAVHQK-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001045986259 1346827946 /nfs/dbraw/zinc/82/79/46/1346827946.db2.gz MGIRODAHLAVHQK-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001045986259 1346827952 /nfs/dbraw/zinc/82/79/52/1346827952.db2.gz MGIRODAHLAVHQK-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046587745 1347028128 /nfs/dbraw/zinc/02/81/28/1347028128.db2.gz HALQVXFFHHDQAV-PZJWPPBQSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046618731 1347040652 /nfs/dbraw/zinc/04/06/52/1347040652.db2.gz IWYWSOBBPNQVMX-OAQYLSRUSA-N 2 1 345.531 3.031 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C2CC[NH+](CCC)CC2)C1 ZINC001047241285 1347267692 /nfs/dbraw/zinc/26/76/92/1347267692.db2.gz PGZDNTAEBAQCEG-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048574186 1347600205 /nfs/dbraw/zinc/60/02/05/1347600205.db2.gz RRYGYJINMDEHCC-OUUBHVDSSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[N@@H+]31)C2 ZINC001048574186 1347600207 /nfs/dbraw/zinc/60/02/07/1347600207.db2.gz RRYGYJINMDEHCC-OUUBHVDSSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[N@H+]31)C2 ZINC001048574186 1347600209 /nfs/dbraw/zinc/60/02/09/1347600209.db2.gz RRYGYJINMDEHCC-OUUBHVDSSA-N 2 1 347.547 3.019 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001048590604 1347609909 /nfs/dbraw/zinc/60/99/09/1347609909.db2.gz QPXHAJKRNZNIBI-IYWMVGAKSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001048590604 1347609910 /nfs/dbraw/zinc/60/99/10/1347609910.db2.gz QPXHAJKRNZNIBI-IYWMVGAKSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001048590604 1347609911 /nfs/dbraw/zinc/60/99/11/1347609911.db2.gz QPXHAJKRNZNIBI-IYWMVGAKSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477871 1347868595 /nfs/dbraw/zinc/86/85/95/1347868595.db2.gz JPJJFWWLVWWTTP-QZTJIDSGSA-N 2 1 335.536 3.116 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477423 1347868668 /nfs/dbraw/zinc/86/86/68/1347868668.db2.gz GQSSWRNVOVRHTH-MOPGFXCFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CC1)[NH+]1CCCCC1 ZINC001049478507 1347868772 /nfs/dbraw/zinc/86/87/72/1347868772.db2.gz PCMANKWLSMGROU-RBUKOAKNSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049486285 1347871886 /nfs/dbraw/zinc/87/18/86/1347871886.db2.gz RBSXVCKCNYLTDO-FGTMMUONSA-N 2 1 346.519 3.262 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049486285 1347871888 /nfs/dbraw/zinc/87/18/88/1347871888.db2.gz RBSXVCKCNYLTDO-FGTMMUONSA-N 2 1 346.519 3.262 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1=CCCCC1)C1CCC1 ZINC001049514509 1347886927 /nfs/dbraw/zinc/88/69/27/1347886927.db2.gz GHMQNPCKMALMHD-PMACEKPBSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1=CCCCC1)C1CCC1 ZINC001049514509 1347886929 /nfs/dbraw/zinc/88/69/29/1347886929.db2.gz GHMQNPCKMALMHD-PMACEKPBSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1=CCCCC1)C1CCC1 ZINC001049514509 1347886930 /nfs/dbraw/zinc/88/69/30/1347886930.db2.gz GHMQNPCKMALMHD-PMACEKPBSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC2CCCCC2)CCC1 ZINC001049517051 1347887684 /nfs/dbraw/zinc/88/76/84/1347887684.db2.gz GMBPDXALHAPTRZ-RBUKOAKNSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1=CCCCC1)[NH+](C)C ZINC001049532374 1347894882 /nfs/dbraw/zinc/89/48/82/1347894882.db2.gz IHDUVGJOCBGRHL-ZCNNSNEGSA-N 2 1 347.547 3.138 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC1CCCC1 ZINC001049558820 1347908791 /nfs/dbraw/zinc/90/87/91/1347908791.db2.gz RWLVUBXOYGJFBV-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CCCC1 ZINC001049558820 1347908793 /nfs/dbraw/zinc/90/87/93/1347908793.db2.gz RWLVUBXOYGJFBV-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CCCC1 ZINC001049558820 1347908795 /nfs/dbraw/zinc/90/87/95/1347908795.db2.gz RWLVUBXOYGJFBV-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049637593 1347947943 /nfs/dbraw/zinc/94/79/43/1347947943.db2.gz HRNYOLNIFNBGOO-ROUUACIJSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1=CCCCC1 ZINC001049656097 1347958121 /nfs/dbraw/zinc/95/81/21/1347958121.db2.gz VKBXWNUTGJXCQM-UFYCRDLUSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1=CCCCC1 ZINC001049656097 1347958124 /nfs/dbraw/zinc/95/81/24/1347958124.db2.gz VKBXWNUTGJXCQM-UFYCRDLUSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1=CCCCC1 ZINC001049656097 1347958127 /nfs/dbraw/zinc/95/81/27/1347958127.db2.gz VKBXWNUTGJXCQM-UFYCRDLUSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@@H]([NH2+]CC1CCCC1)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001050272101 1348224714 /nfs/dbraw/zinc/22/47/14/1348224714.db2.gz CNJQNSCDZVYRMW-OXQOHEQNSA-N 2 1 343.515 3.095 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001051349824 1348439867 /nfs/dbraw/zinc/43/98/67/1348439867.db2.gz ZUHCALIXPUSSCP-RLLQIKCJSA-N 2 1 343.515 3.203 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052446645 1348543115 /nfs/dbraw/zinc/54/31/15/1348543115.db2.gz MXAKYMBYWAKRHZ-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001052446645 1348543117 /nfs/dbraw/zinc/54/31/17/1348543117.db2.gz MXAKYMBYWAKRHZ-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001052446645 1348543119 /nfs/dbraw/zinc/54/31/19/1348543119.db2.gz MXAKYMBYWAKRHZ-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC=C(C)C)CC2)C1 ZINC001052652135 1348614606 /nfs/dbraw/zinc/61/46/06/1348614606.db2.gz UBMQSVRUHDFCOK-RTBURBONSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC=C(C)C)CC2)C1 ZINC001052652135 1348614608 /nfs/dbraw/zinc/61/46/08/1348614608.db2.gz UBMQSVRUHDFCOK-RTBURBONSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC=C(C)C)CC2)C1 ZINC001052652135 1348614611 /nfs/dbraw/zinc/61/46/11/1348614611.db2.gz UBMQSVRUHDFCOK-RTBURBONSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052652182 1348614617 /nfs/dbraw/zinc/61/46/17/1348614617.db2.gz UTKIYQQJAVVJKJ-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052652182 1348614619 /nfs/dbraw/zinc/61/46/19/1348614619.db2.gz UTKIYQQJAVVJKJ-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052652182 1348614622 /nfs/dbraw/zinc/61/46/22/1348614622.db2.gz UTKIYQQJAVVJKJ-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001052764715 1348669557 /nfs/dbraw/zinc/66/95/57/1348669557.db2.gz RJXUAROYFGSULW-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C/C=C\Cl)CC2)cc1 ZINC001052787038 1348679440 /nfs/dbraw/zinc/67/94/40/1348679440.db2.gz HEOUTIGROVARQS-NHOBBCMMSA-N 2 1 349.906 3.085 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001052938450 1348756342 /nfs/dbraw/zinc/75/63/42/1348756342.db2.gz YATGLYAACFNELZ-IBGZPJMESA-N 2 1 335.536 3.023 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001052955566 1348769396 /nfs/dbraw/zinc/76/93/96/1348769396.db2.gz HHXYJMXYSIJISW-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001052955566 1348769399 /nfs/dbraw/zinc/76/93/99/1348769399.db2.gz HHXYJMXYSIJISW-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001052955566 1348769401 /nfs/dbraw/zinc/76/94/01/1348769401.db2.gz HHXYJMXYSIJISW-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001053051389 1348855041 /nfs/dbraw/zinc/85/50/41/1348855041.db2.gz OIGVVUXRYOQCOQ-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209053 1349210325 /nfs/dbraw/zinc/21/03/25/1349210325.db2.gz HHWAKQMHFCMHHA-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209053 1349210328 /nfs/dbraw/zinc/21/03/28/1349210328.db2.gz HHWAKQMHFCMHHA-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001054209053 1349210329 /nfs/dbraw/zinc/21/03/29/1349210329.db2.gz HHWAKQMHFCMHHA-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054227106 1349220954 /nfs/dbraw/zinc/22/09/54/1349220954.db2.gz DEMZBBSZAULADY-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001054227106 1349220957 /nfs/dbraw/zinc/22/09/57/1349220957.db2.gz DEMZBBSZAULADY-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001054227106 1349220961 /nfs/dbraw/zinc/22/09/61/1349220961.db2.gz DEMZBBSZAULADY-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001054244509 1349238251 /nfs/dbraw/zinc/23/82/51/1349238251.db2.gz WHZJLNJSHLJIJQ-OAQYLSRUSA-N 2 1 343.515 3.086 20 0 EGADMP CC(C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246402 1349241313 /nfs/dbraw/zinc/24/13/13/1349241313.db2.gz YMTORSAGEVWWBO-FPOVZHCZSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246402 1349241316 /nfs/dbraw/zinc/24/13/16/1349241316.db2.gz YMTORSAGEVWWBO-FPOVZHCZSA-N 2 1 343.515 3.012 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](CC)C2 ZINC001054289998 1349294252 /nfs/dbraw/zinc/29/42/52/1349294252.db2.gz YFSQDHGQTZTPQW-FQEVSTJZSA-N 2 1 343.515 3.293 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](CC)C2 ZINC001054289998 1349294256 /nfs/dbraw/zinc/29/42/56/1349294256.db2.gz YFSQDHGQTZTPQW-FQEVSTJZSA-N 2 1 343.515 3.293 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](CC)C2 ZINC001054289998 1349294257 /nfs/dbraw/zinc/29/42/57/1349294257.db2.gz YFSQDHGQTZTPQW-FQEVSTJZSA-N 2 1 343.515 3.293 20 0 EGADMP CCc1sc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1Br ZINC001232290550 1376433153 /nfs/dbraw/zinc/43/31/53/1376433153.db2.gz VJABRZZHCWNWKO-NEPJUHHUSA-N 2 1 343.334 3.457 20 0 EGADMP CCc1sc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1Br ZINC001232290550 1376433158 /nfs/dbraw/zinc/43/31/58/1376433158.db2.gz VJABRZZHCWNWKO-NEPJUHHUSA-N 2 1 343.334 3.457 20 0 EGADMP CCc1sc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1Br ZINC001232290550 1376433160 /nfs/dbraw/zinc/43/31/60/1376433160.db2.gz VJABRZZHCWNWKO-NEPJUHHUSA-N 2 1 343.334 3.457 20 0 EGADMP CCc1sc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1Br ZINC001232290550 1376433162 /nfs/dbraw/zinc/43/31/62/1376433162.db2.gz VJABRZZHCWNWKO-NEPJUHHUSA-N 2 1 343.334 3.457 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318255 1357572006 /nfs/dbraw/zinc/57/20/06/1357572006.db2.gz LWHSEDCFONJYDJ-MISYRCLQSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001080318255 1357572008 /nfs/dbraw/zinc/57/20/08/1357572008.db2.gz LWHSEDCFONJYDJ-MISYRCLQSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001080318255 1357572013 /nfs/dbraw/zinc/57/20/13/1357572013.db2.gz LWHSEDCFONJYDJ-MISYRCLQSA-N 2 1 347.547 3.186 20 0 EGADMP CCOc1cc(C[N@@H+](C)C2(C)CC[NH2+]CC2)ccc1Br ZINC001236226983 1376943735 /nfs/dbraw/zinc/94/37/35/1376943735.db2.gz VUDXDCDPNIKYRE-UHFFFAOYSA-N 2 1 341.293 3.422 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H](C)c2ccccc2)C1 ZINC001183082421 1387259384 /nfs/dbraw/zinc/25/93/84/1387259384.db2.gz UPHJDWLJNYLEPO-LVCYWYKZSA-N 2 1 345.531 3.164 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCC3CC3)C2)ccc2c[nH+]cn21 ZINC001071627412 1354811898 /nfs/dbraw/zinc/81/18/98/1354811898.db2.gz FJSZXWJAWWLYOI-RHSMWYFYSA-N 2 1 340.471 3.026 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@H+]1CC1CCCC1 ZINC001071682963 1354849764 /nfs/dbraw/zinc/84/97/64/1354849764.db2.gz VIHQVBUSBFZFHB-CRAIPNDOSA-N 2 1 340.471 3.107 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CC1=CCCCC1 ZINC001071738961 1354889492 /nfs/dbraw/zinc/88/94/92/1354889492.db2.gz LPTDLXLRGLRTRW-MJGOQNOKSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CCC1CCCC1 ZINC001071872664 1354997761 /nfs/dbraw/zinc/99/77/61/1354997761.db2.gz PJRPVIBETCACGA-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@@H+]1C/C=C\Cl ZINC001072096407 1355127663 /nfs/dbraw/zinc/12/76/63/1355127663.db2.gz ZABLLVXCYZGFPG-NOMXZGQMSA-N 2 1 349.906 3.083 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@H+]1C/C=C\Cl ZINC001072096407 1355127665 /nfs/dbraw/zinc/12/76/65/1355127665.db2.gz ZABLLVXCYZGFPG-NOMXZGQMSA-N 2 1 349.906 3.083 20 0 EGADMP CC(C)CC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001072882849 1355482459 /nfs/dbraw/zinc/48/24/59/1355482459.db2.gz SKIGLISMCJAQOL-UHFFFAOYSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001072882849 1355482461 /nfs/dbraw/zinc/48/24/61/1355482461.db2.gz SKIGLISMCJAQOL-UHFFFAOYSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001072882849 1355482464 /nfs/dbraw/zinc/48/24/64/1355482464.db2.gz SKIGLISMCJAQOL-UHFFFAOYSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001074045160 1356050923 /nfs/dbraw/zinc/05/09/23/1356050923.db2.gz AVZNQDOMPOGMST-DFQSSKMNSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001074045160 1356050924 /nfs/dbraw/zinc/05/09/24/1356050924.db2.gz AVZNQDOMPOGMST-DFQSSKMNSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001074045160 1356050926 /nfs/dbraw/zinc/05/09/26/1356050926.db2.gz AVZNQDOMPOGMST-DFQSSKMNSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC001074062983 1356061156 /nfs/dbraw/zinc/06/11/56/1356061156.db2.gz CICRFFVKRAZQDN-UYAOXDASSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC001074062983 1356061158 /nfs/dbraw/zinc/06/11/58/1356061158.db2.gz CICRFFVKRAZQDN-UYAOXDASSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC001074062983 1356061159 /nfs/dbraw/zinc/06/11/59/1356061159.db2.gz CICRFFVKRAZQDN-UYAOXDASSA-N 2 1 347.547 3.284 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1ccccc1)[NH+](C)C ZINC001074066735 1356063751 /nfs/dbraw/zinc/06/37/51/1356063751.db2.gz OWMYZNLLGLFEHF-SXLOBPIMSA-N 2 1 345.531 3.401 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)[C@@H]1C ZINC001074686120 1356224573 /nfs/dbraw/zinc/22/45/73/1356224573.db2.gz PZTJHZVJIUJVJE-WDSOQIARSA-N 2 1 349.563 3.265 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C)c1cccc(Cl)c1 ZINC001074792980 1356243577 /nfs/dbraw/zinc/24/35/77/1356243577.db2.gz QNGLSFYLSHZHCE-DFEHZGFQSA-N 2 1 349.906 3.074 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C)c1 ZINC001074803893 1356248229 /nfs/dbraw/zinc/24/82/29/1356248229.db2.gz TZZMDJTZMPZXNY-QGZVKYPTSA-N 2 1 343.515 3.038 20 0 EGADMP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461303 1356395156 /nfs/dbraw/zinc/39/51/56/1356395156.db2.gz CCOIVNAMNFTYQB-AZUAARDMSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461303 1356395160 /nfs/dbraw/zinc/39/51/60/1356395160.db2.gz CCOIVNAMNFTYQB-AZUAARDMSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461303 1356395163 /nfs/dbraw/zinc/39/51/63/1356395163.db2.gz CCOIVNAMNFTYQB-AZUAARDMSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001183255682 1387286638 /nfs/dbraw/zinc/28/66/38/1387286638.db2.gz NHZLRCDPLWBUKX-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001099120812 1363635039 /nfs/dbraw/zinc/63/50/39/1363635039.db2.gz GFPSQJONONRSOD-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001099120812 1363635041 /nfs/dbraw/zinc/63/50/41/1363635041.db2.gz GFPSQJONONRSOD-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001099120812 1363635045 /nfs/dbraw/zinc/63/50/45/1363635045.db2.gz GFPSQJONONRSOD-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001099120812 1363635046 /nfs/dbraw/zinc/63/50/46/1363635046.db2.gz GFPSQJONONRSOD-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCCCCF ZINC001099315553 1363745472 /nfs/dbraw/zinc/74/54/72/1363745472.db2.gz HBLSMNYLYRLJOI-KRWDZBQOSA-N 2 1 343.531 3.075 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCCCF ZINC001099315553 1363745475 /nfs/dbraw/zinc/74/54/75/1363745475.db2.gz HBLSMNYLYRLJOI-KRWDZBQOSA-N 2 1 343.531 3.075 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCCCF ZINC001099315553 1363745478 /nfs/dbraw/zinc/74/54/78/1363745478.db2.gz HBLSMNYLYRLJOI-KRWDZBQOSA-N 2 1 343.531 3.075 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099344664 1363762698 /nfs/dbraw/zinc/76/26/98/1363762698.db2.gz NTNJKLKZLKYKGO-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001099347707 1363764298 /nfs/dbraw/zinc/76/42/98/1363764298.db2.gz AWPFCIRGHAALLS-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001183275918 1387289478 /nfs/dbraw/zinc/28/94/78/1387289478.db2.gz QUXJCKYKKUKXFO-IBGZPJMESA-N 2 1 347.547 3.166 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001082612436 1358065935 /nfs/dbraw/zinc/06/59/35/1358065935.db2.gz NWWJQDWAPMSHCC-MISYRCLQSA-N 2 1 347.547 3.044 20 0 EGADMP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCC3CCCCCC3)C[C@H]21)[NH+](C)C ZINC001084668142 1358273080 /nfs/dbraw/zinc/27/30/80/1358273080.db2.gz KOCMLQJGYKNTFJ-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCC(C)(C)C)C[C@H]21 ZINC001084701539 1358286714 /nfs/dbraw/zinc/28/67/14/1358286714.db2.gz IJIVJTBXHPPGNH-GUDVDZBRSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001084701539 1358286716 /nfs/dbraw/zinc/28/67/16/1358286716.db2.gz IJIVJTBXHPPGNH-GUDVDZBRSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001084701539 1358286718 /nfs/dbraw/zinc/28/67/18/1358286718.db2.gz IJIVJTBXHPPGNH-GUDVDZBRSA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001084863027 1358333694 /nfs/dbraw/zinc/33/36/94/1358333694.db2.gz QGIOGAAAJXXAEJ-SJLPKXTDSA-N 2 1 347.503 3.068 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC001085100907 1358390473 /nfs/dbraw/zinc/39/04/73/1358390473.db2.gz KAYHZFVTYMBMCW-QRVBRYPASA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC(C)(C)C)[C@H]2C1 ZINC001085100907 1358390477 /nfs/dbraw/zinc/39/04/77/1358390477.db2.gz KAYHZFVTYMBMCW-QRVBRYPASA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC(C)(C)C)[C@H]2C1 ZINC001085100907 1358390480 /nfs/dbraw/zinc/39/04/80/1358390480.db2.gz KAYHZFVTYMBMCW-QRVBRYPASA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001085152618 1358414014 /nfs/dbraw/zinc/41/40/14/1358414014.db2.gz KXGXEJCUHMHHST-GUDVDZBRSA-N 2 1 335.536 3.068 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183754307 1387344121 /nfs/dbraw/zinc/34/41/21/1387344121.db2.gz XFXAEQHAMRFNOM-CTNGQTDRSA-N 2 1 349.478 3.396 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183754307 1387344124 /nfs/dbraw/zinc/34/41/24/1387344124.db2.gz XFXAEQHAMRFNOM-CTNGQTDRSA-N 2 1 349.478 3.396 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCC1 ZINC001085855732 1358823035 /nfs/dbraw/zinc/82/30/35/1358823035.db2.gz IBRFXMRLWMYCJR-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001085855732 1358823040 /nfs/dbraw/zinc/82/30/40/1358823040.db2.gz IBRFXMRLWMYCJR-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001085855732 1358823043 /nfs/dbraw/zinc/82/30/43/1358823043.db2.gz IBRFXMRLWMYCJR-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CC1CCCC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875765 1358839903 /nfs/dbraw/zinc/83/99/03/1358839903.db2.gz IVGGPESCBPQCAF-HXUWFJFHSA-N 2 1 343.515 3.085 20 0 EGADMP CCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994120 1358948596 /nfs/dbraw/zinc/94/85/96/1358948596.db2.gz CGIFYROLIFHXTP-INIZCTEOSA-N 2 1 335.492 3.068 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086278640 1359051769 /nfs/dbraw/zinc/05/17/69/1359051769.db2.gz GUSCUJYSEOQHTB-JYBIWHBTSA-N 2 1 343.515 3.106 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086382637 1359083538 /nfs/dbraw/zinc/08/35/38/1359083538.db2.gz QFJXUDNATVYHAZ-WFAGLZIHSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001086382699 1359083543 /nfs/dbraw/zinc/08/35/43/1359083543.db2.gz SCYSEHWHHRHVGM-VAMGGRTRSA-N 2 1 349.563 3.316 20 0 EGADMP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001086456108 1359102690 /nfs/dbraw/zinc/10/26/90/1359102690.db2.gz QYCSBMCYVCFCOC-QWFCFKBJSA-N 2 1 347.547 3.068 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)CC[N@H+]1C ZINC001086457168 1359103073 /nfs/dbraw/zinc/10/30/73/1359103073.db2.gz MYKCRHMGIHYXQG-LEAZDLGRSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001086937936 1359260290 /nfs/dbraw/zinc/26/02/90/1359260290.db2.gz DHRQIOWFHLZYDA-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CCCC1CCCC1 ZINC001087523353 1359509201 /nfs/dbraw/zinc/50/92/01/1359509201.db2.gz TUFCRKFZQCONCL-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CCCC1CCCC1 ZINC001087523353 1359509204 /nfs/dbraw/zinc/50/92/04/1359509204.db2.gz TUFCRKFZQCONCL-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CCCC1CCCC1 ZINC001087523353 1359509206 /nfs/dbraw/zinc/50/92/06/1359509206.db2.gz TUFCRKFZQCONCL-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@H+]1CC1CC(C)(C)C1 ZINC001087569719 1359536081 /nfs/dbraw/zinc/53/60/81/1359536081.db2.gz JOSQBRHVGSTWIL-OTWHNJEPSA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CC1CC(C)(C)C1 ZINC001087569719 1359536085 /nfs/dbraw/zinc/53/60/85/1359536085.db2.gz JOSQBRHVGSTWIL-OTWHNJEPSA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC[NH+]1CC1CC(C)(C)C1 ZINC001087569719 1359536090 /nfs/dbraw/zinc/53/60/90/1359536090.db2.gz JOSQBRHVGSTWIL-OTWHNJEPSA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC[N@H+]1CCC(C)C ZINC001087602493 1359550113 /nfs/dbraw/zinc/55/01/13/1359550113.db2.gz RYEQDWMKKYXTHE-GBESFXJTSA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CCC(C)C ZINC001087602493 1359550118 /nfs/dbraw/zinc/55/01/18/1359550118.db2.gz RYEQDWMKKYXTHE-GBESFXJTSA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC[NH+]1CCC(C)C ZINC001087602493 1359550129 /nfs/dbraw/zinc/55/01/29/1359550129.db2.gz RYEQDWMKKYXTHE-GBESFXJTSA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1CC ZINC001087634619 1359565524 /nfs/dbraw/zinc/56/55/24/1359565524.db2.gz KSFGHFURSBWTRO-ZOCIIQOWSA-N 2 1 342.487 3.272 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCCC2)CC1 ZINC001323617497 1387409160 /nfs/dbraw/zinc/40/91/60/1387409160.db2.gz YBXDGRAPDZREDV-SFHVURJKSA-N 2 1 335.536 3.070 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1CC1CC1 ZINC001087699478 1359598464 /nfs/dbraw/zinc/59/84/64/1359598464.db2.gz WCNJYTPYRHGQQM-XUVXKRRUSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1CC1CC1 ZINC001087699478 1359598466 /nfs/dbraw/zinc/59/84/66/1359598466.db2.gz WCNJYTPYRHGQQM-XUVXKRRUSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1CC1CC1 ZINC001087699478 1359598468 /nfs/dbraw/zinc/59/84/68/1359598468.db2.gz WCNJYTPYRHGQQM-XUVXKRRUSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1CC[C@H](C)F ZINC001087839854 1359673642 /nfs/dbraw/zinc/67/36/42/1359673642.db2.gz WXUWVGYNFHKPKT-ZYSHUDEJSA-N 2 1 349.494 3.079 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1CC ZINC001087840987 1359674721 /nfs/dbraw/zinc/67/47/21/1359674721.db2.gz XTYDEHBQMNEUBP-LSTHTHJFSA-N 2 1 345.531 3.377 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212896 1359797198 /nfs/dbraw/zinc/79/71/98/1359797198.db2.gz ZOOSASAOVKHMJJ-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@H]2C1 ZINC001088212896 1359797201 /nfs/dbraw/zinc/79/72/01/1359797201.db2.gz ZOOSASAOVKHMJJ-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@@H]2C1 ZINC001088212896 1359797204 /nfs/dbraw/zinc/79/72/04/1359797204.db2.gz ZOOSASAOVKHMJJ-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001088348136 1359834540 /nfs/dbraw/zinc/83/45/40/1359834540.db2.gz LOSIBKUOYAVCOP-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CC(C)C)C2)C1 ZINC001088367436 1359851755 /nfs/dbraw/zinc/85/17/55/1359851755.db2.gz JXNMUOSVUAGOLR-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CC1CC(C[NH2+][C@@H]2CCCCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001088380164 1359863651 /nfs/dbraw/zinc/86/36/51/1359863651.db2.gz ARUZLCRNALJQPH-CTWPCTMYSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)[C@@H]1C ZINC001088604961 1359988479 /nfs/dbraw/zinc/98/84/79/1359988479.db2.gz AXSMRLSLMFLMTL-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)[C@@H]1C ZINC001088604961 1359988484 /nfs/dbraw/zinc/98/84/84/1359988484.db2.gz AXSMRLSLMFLMTL-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)[C@@H]1C ZINC001088604961 1359988487 /nfs/dbraw/zinc/98/84/87/1359988487.db2.gz AXSMRLSLMFLMTL-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001088693111 1360014622 /nfs/dbraw/zinc/01/46/22/1360014622.db2.gz LWXRBZIOUKNBPB-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H]1C ZINC001088693111 1360014628 /nfs/dbraw/zinc/01/46/28/1360014628.db2.gz LWXRBZIOUKNBPB-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)[C@@H]1C ZINC001088693111 1360014637 /nfs/dbraw/zinc/01/46/37/1360014637.db2.gz LWXRBZIOUKNBPB-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1CCC1CC1 ZINC001088811999 1360060325 /nfs/dbraw/zinc/06/03/25/1360060325.db2.gz HNNSRTYJROUKON-UXPWSPDFSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1CCC1CC1 ZINC001088811999 1360060327 /nfs/dbraw/zinc/06/03/27/1360060327.db2.gz HNNSRTYJROUKON-UXPWSPDFSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1CCC1CC1 ZINC001088811999 1360060330 /nfs/dbraw/zinc/06/03/30/1360060330.db2.gz HNNSRTYJROUKON-UXPWSPDFSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccc(C)cc1)[NH+](C)C ZINC001089191955 1360240195 /nfs/dbraw/zinc/24/01/95/1360240195.db2.gz JGMQSEDQJFOKFY-VQTJNVASSA-N 2 1 345.531 3.148 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(C)C)CC(C)(C)C1 ZINC001089399964 1360399706 /nfs/dbraw/zinc/39/97/06/1360399706.db2.gz AEGFWLYMOJFYDV-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(C)C)CC(C)(C)C1 ZINC001089399964 1360399708 /nfs/dbraw/zinc/39/97/08/1360399708.db2.gz AEGFWLYMOJFYDV-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(C)C)CC(C)(C)C1 ZINC001089399964 1360399711 /nfs/dbraw/zinc/39/97/11/1360399711.db2.gz AEGFWLYMOJFYDV-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC=C(C)C)CC(C)(C)C1 ZINC001089401936 1360401245 /nfs/dbraw/zinc/40/12/45/1360401245.db2.gz ZPPLCZXEFGIFOQ-RBUKOAKNSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC=C(C)C)CC(C)(C)C1 ZINC001089401936 1360401246 /nfs/dbraw/zinc/40/12/46/1360401246.db2.gz ZPPLCZXEFGIFOQ-RBUKOAKNSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC=C(C)C)CC(C)(C)C1 ZINC001089401936 1360401248 /nfs/dbraw/zinc/40/12/48/1360401248.db2.gz ZPPLCZXEFGIFOQ-RBUKOAKNSA-N 2 1 349.563 3.434 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089431010 1360422764 /nfs/dbraw/zinc/42/27/64/1360422764.db2.gz WXOXVDFPUUTWKS-QGZVFWFLSA-N 2 1 342.487 3.355 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430819 1360422871 /nfs/dbraw/zinc/42/28/71/1360422871.db2.gz USZVNINWWSEDHR-ROUUACIJSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)CC(C)(C)C2)CC1 ZINC001089484652 1360465573 /nfs/dbraw/zinc/46/55/73/1360465573.db2.gz ZJMFMDGVFSHNJR-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089560483 1360507933 /nfs/dbraw/zinc/50/79/33/1360507933.db2.gz YXYQRJKMVLIYBS-KRWDZBQOSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089560483 1360507938 /nfs/dbraw/zinc/50/79/38/1360507938.db2.gz YXYQRJKMVLIYBS-KRWDZBQOSA-N 2 1 348.535 3.235 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089564793 1360511548 /nfs/dbraw/zinc/51/15/48/1360511548.db2.gz JJWQDJAFDZTYHP-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC2)CC(C)(C)C1 ZINC001089564793 1360511550 /nfs/dbraw/zinc/51/15/50/1360511550.db2.gz JJWQDJAFDZTYHP-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1 ZINC001089564793 1360511552 /nfs/dbraw/zinc/51/15/52/1360511552.db2.gz JJWQDJAFDZTYHP-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089650132 1360563373 /nfs/dbraw/zinc/56/33/73/1360563373.db2.gz VNCDKSZXFAWCDI-IAGOWNOFSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089650132 1360563376 /nfs/dbraw/zinc/56/33/76/1360563376.db2.gz VNCDKSZXFAWCDI-IAGOWNOFSA-N 2 1 346.519 3.023 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1)C1CCCCC1 ZINC001184609024 1387499914 /nfs/dbraw/zinc/49/99/14/1387499914.db2.gz IFAAKLMKQYWMJQ-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[C@@H]([NH2+]CC2CCCC2)C1)C1CCCCC1 ZINC001184608946 1387499952 /nfs/dbraw/zinc/49/99/52/1387499952.db2.gz FTQFGQQJZRBWSW-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH+](C)C)CC3 ZINC001323954254 1387500164 /nfs/dbraw/zinc/50/01/64/1387500164.db2.gz YBRXGAJREASRTO-XMDBHEJHSA-N 2 1 341.499 3.496 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001095405912 1362130421 /nfs/dbraw/zinc/13/04/21/1362130421.db2.gz FCYMWVBXPZKJSG-FUMNGEBKSA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001095405912 1362130423 /nfs/dbraw/zinc/13/04/23/1362130423.db2.gz FCYMWVBXPZKJSG-FUMNGEBKSA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001095405912 1362130424 /nfs/dbraw/zinc/13/04/24/1362130424.db2.gz FCYMWVBXPZKJSG-FUMNGEBKSA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001095405913 1362130664 /nfs/dbraw/zinc/13/06/64/1362130664.db2.gz FCYMWVBXPZKJSG-FYQPLNBISA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001095405913 1362130666 /nfs/dbraw/zinc/13/06/66/1362130666.db2.gz FCYMWVBXPZKJSG-FYQPLNBISA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001095405913 1362130668 /nfs/dbraw/zinc/13/06/68/1362130668.db2.gz FCYMWVBXPZKJSG-FYQPLNBISA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184891457 1387556278 /nfs/dbraw/zinc/55/62/78/1387556278.db2.gz GPGDFBFBRLBDTH-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001096611825 1362596564 /nfs/dbraw/zinc/59/65/64/1362596564.db2.gz VHBFEFPLGCOHSD-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001096611825 1362596572 /nfs/dbraw/zinc/59/65/72/1362596572.db2.gz VHBFEFPLGCOHSD-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001096611825 1362596574 /nfs/dbraw/zinc/59/65/74/1362596574.db2.gz VHBFEFPLGCOHSD-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001097177571 1362874821 /nfs/dbraw/zinc/87/48/21/1362874821.db2.gz UUDQCBYSJJFVBR-YSTOQKLRSA-N 2 1 345.531 3.083 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001097177571 1362874825 /nfs/dbraw/zinc/87/48/25/1362874825.db2.gz UUDQCBYSJJFVBR-YSTOQKLRSA-N 2 1 345.531 3.083 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001097177571 1362874830 /nfs/dbraw/zinc/87/48/30/1362874830.db2.gz UUDQCBYSJJFVBR-YSTOQKLRSA-N 2 1 345.531 3.083 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(CC)CC ZINC001097177012 1362874967 /nfs/dbraw/zinc/87/49/67/1362874967.db2.gz FMVWPBPAHIXZEU-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(CC)CC ZINC001097177012 1362874970 /nfs/dbraw/zinc/87/49/70/1362874970.db2.gz FMVWPBPAHIXZEU-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(CC)CC ZINC001097177012 1362874972 /nfs/dbraw/zinc/87/49/72/1362874972.db2.gz FMVWPBPAHIXZEU-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001097974340 1363185689 /nfs/dbraw/zinc/18/56/89/1363185689.db2.gz IJXGUTNLEISZDN-AKHDSKFASA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001097974340 1363185694 /nfs/dbraw/zinc/18/56/94/1363185694.db2.gz IJXGUTNLEISZDN-AKHDSKFASA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001097974340 1363185697 /nfs/dbraw/zinc/18/56/97/1363185697.db2.gz IJXGUTNLEISZDN-AKHDSKFASA-N 2 1 349.563 3.407 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001185089625 1387616034 /nfs/dbraw/zinc/61/60/34/1387616034.db2.gz BOVJTKXAUVFUCP-LXORQPIJSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099110981 1363628409 /nfs/dbraw/zinc/62/84/09/1363628409.db2.gz NHZFLSUUKRSIOK-DVBCCOPCSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099110984 1363628435 /nfs/dbraw/zinc/62/84/35/1363628435.db2.gz NHZFLSUUKRSIOK-ZEVQVBBLSA-N 2 1 349.563 3.434 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001099130577 1363642463 /nfs/dbraw/zinc/64/24/63/1363642463.db2.gz PJDRBGJPNSBSHB-KRWDZBQOSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001099130577 1363642466 /nfs/dbraw/zinc/64/24/66/1363642466.db2.gz PJDRBGJPNSBSHB-KRWDZBQOSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001099130577 1363642469 /nfs/dbraw/zinc/64/24/69/1363642469.db2.gz PJDRBGJPNSBSHB-KRWDZBQOSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099139576 1363649004 /nfs/dbraw/zinc/64/90/04/1363649004.db2.gz CAAOEEAPIKJQDB-HPFMTEOYSA-N 2 1 346.519 3.155 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099139576 1363649007 /nfs/dbraw/zinc/64/90/07/1363649007.db2.gz CAAOEEAPIKJQDB-HPFMTEOYSA-N 2 1 346.519 3.155 20 0 EGADMP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099144359 1363652960 /nfs/dbraw/zinc/65/29/60/1363652960.db2.gz GBAXYQINPCHCPO-GOSISDBHSA-N 2 1 348.535 3.235 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099144359 1363652963 /nfs/dbraw/zinc/65/29/63/1363652963.db2.gz GBAXYQINPCHCPO-GOSISDBHSA-N 2 1 348.535 3.235 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099194677 1363685275 /nfs/dbraw/zinc/68/52/75/1363685275.db2.gz QTUQMWWJFTVVQW-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099198688 1363687825 /nfs/dbraw/zinc/68/78/25/1363687825.db2.gz DBVGWSPINPVMLR-JTHGQSKGSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099239970 1363708017 /nfs/dbraw/zinc/70/80/17/1363708017.db2.gz NIVCCSORQCWONT-SFHVURJKSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001099239970 1363708022 /nfs/dbraw/zinc/70/80/22/1363708022.db2.gz NIVCCSORQCWONT-SFHVURJKSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001099239970 1363708024 /nfs/dbraw/zinc/70/80/24/1363708024.db2.gz NIVCCSORQCWONT-SFHVURJKSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001099239602 1363708678 /nfs/dbraw/zinc/70/86/78/1363708678.db2.gz HNBQWXLHEVMMOB-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001099239602 1363708679 /nfs/dbraw/zinc/70/86/79/1363708679.db2.gz HNBQWXLHEVMMOB-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001099239602 1363708683 /nfs/dbraw/zinc/70/86/83/1363708683.db2.gz HNBQWXLHEVMMOB-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001099348024 1363764808 /nfs/dbraw/zinc/76/48/08/1363764808.db2.gz FITAFOMZIWULJS-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001100332701 1364082318 /nfs/dbraw/zinc/08/23/18/1364082318.db2.gz MVPRITDBZXKDLD-JLAWEPINSA-N 2 1 347.547 3.092 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC001100511533 1364140760 /nfs/dbraw/zinc/14/07/60/1364140760.db2.gz CVKOPJDWEVYXFR-UHFFFAOYSA-N 2 1 346.519 3.036 20 0 EGADMP CC/C=C/CC[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001100729342 1364238393 /nfs/dbraw/zinc/23/83/93/1364238393.db2.gz BBINAEOZYNJKNV-AATRIKPKSA-N 2 1 346.519 3.237 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC([NH2+]CC2CCCC2)C1 ZINC001100764851 1364251627 /nfs/dbraw/zinc/25/16/27/1364251627.db2.gz ILLNHUZFBCSHTH-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+][C@H](CC)c2ccccc2)C1 ZINC001100899989 1364321483 /nfs/dbraw/zinc/32/14/83/1364321483.db2.gz KRLPSRIBWMPSJA-LYBXBRPPSA-N 2 1 345.531 3.354 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001101244544 1364483647 /nfs/dbraw/zinc/48/36/47/1364483647.db2.gz VLWOBYKAOHYOHG-HDAAZOAOSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001101244544 1364483650 /nfs/dbraw/zinc/48/36/50/1364483650.db2.gz VLWOBYKAOHYOHG-HDAAZOAOSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001101244544 1364483651 /nfs/dbraw/zinc/48/36/51/1364483651.db2.gz VLWOBYKAOHYOHG-HDAAZOAOSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101271606 1364493407 /nfs/dbraw/zinc/49/34/07/1364493407.db2.gz SFAFXYRCBPOJOL-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101271606 1364493409 /nfs/dbraw/zinc/49/34/09/1364493409.db2.gz SFAFXYRCBPOJOL-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101271606 1364493412 /nfs/dbraw/zinc/49/34/12/1364493412.db2.gz SFAFXYRCBPOJOL-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001101547504 1364611580 /nfs/dbraw/zinc/61/15/80/1364611580.db2.gz DCCSCJAULPNTAR-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001102104096 1364859121 /nfs/dbraw/zinc/85/91/21/1364859121.db2.gz FUVPXDNPTKRROD-IAGOWNOFSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001102104096 1364859125 /nfs/dbraw/zinc/85/91/25/1364859125.db2.gz FUVPXDNPTKRROD-IAGOWNOFSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001102104096 1364859127 /nfs/dbraw/zinc/85/91/27/1364859127.db2.gz FUVPXDNPTKRROD-IAGOWNOFSA-N 2 1 339.568 3.227 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC001324640987 1387713708 /nfs/dbraw/zinc/71/37/08/1387713708.db2.gz HJNQFUUNOXKMKD-HEEFDWFXSA-N 2 1 343.515 3.012 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419761 1365046264 /nfs/dbraw/zinc/04/62/64/1365046264.db2.gz SWLSKMKYMYCZQP-IKSUFZCESA-N 2 1 346.519 3.047 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419761 1365046272 /nfs/dbraw/zinc/04/62/72/1365046272.db2.gz SWLSKMKYMYCZQP-IKSUFZCESA-N 2 1 346.519 3.047 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001102523839 1365098454 /nfs/dbraw/zinc/09/84/54/1365098454.db2.gz MYNKAULABZFSEH-QWFCFKBJSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001102523839 1365098460 /nfs/dbraw/zinc/09/84/60/1365098460.db2.gz MYNKAULABZFSEH-QWFCFKBJSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001102523839 1365098463 /nfs/dbraw/zinc/09/84/63/1365098463.db2.gz MYNKAULABZFSEH-QWFCFKBJSA-N 2 1 345.531 3.164 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600217 1365131198 /nfs/dbraw/zinc/13/11/98/1365131198.db2.gz SVPAHMPRLDUVQT-RLLQIKCJSA-N 2 1 345.531 3.162 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102600217 1365131199 /nfs/dbraw/zinc/13/11/99/1365131199.db2.gz SVPAHMPRLDUVQT-RLLQIKCJSA-N 2 1 345.531 3.162 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102600217 1365131201 /nfs/dbraw/zinc/13/12/01/1365131201.db2.gz SVPAHMPRLDUVQT-RLLQIKCJSA-N 2 1 345.531 3.162 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001103103719 1365382050 /nfs/dbraw/zinc/38/20/50/1365382050.db2.gz WDXBRHFKCZRLFE-BNLAEDIXSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001103103719 1365382059 /nfs/dbraw/zinc/38/20/59/1365382059.db2.gz WDXBRHFKCZRLFE-BNLAEDIXSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001103103719 1365382063 /nfs/dbraw/zinc/38/20/63/1365382063.db2.gz WDXBRHFKCZRLFE-BNLAEDIXSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001103174477 1365420586 /nfs/dbraw/zinc/42/05/86/1365420586.db2.gz OVPHJUOKGVSZEY-AQNXPRMDSA-N 2 1 349.563 3.147 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174477 1365420589 /nfs/dbraw/zinc/42/05/89/1365420589.db2.gz OVPHJUOKGVSZEY-AQNXPRMDSA-N 2 1 349.563 3.147 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174477 1365420592 /nfs/dbraw/zinc/42/05/92/1365420592.db2.gz OVPHJUOKGVSZEY-AQNXPRMDSA-N 2 1 349.563 3.147 20 0 EGADMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C)[NH+](C)C ZINC001103444897 1365564323 /nfs/dbraw/zinc/56/43/23/1365564323.db2.gz OJXPTHRXMWXILK-KURKYZTESA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001103550256 1365629679 /nfs/dbraw/zinc/62/96/79/1365629679.db2.gz HHKUALYEUYNKIC-WSTZPKSXSA-N 2 1 345.531 3.164 20 0 EGADMP CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001104363124 1365987923 /nfs/dbraw/zinc/98/79/23/1365987923.db2.gz ZTLGOYXVATUOLZ-SJLPKXTDSA-N 2 1 339.568 3.227 20 0 EGADMP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001104362954 1365988211 /nfs/dbraw/zinc/98/82/11/1365988211.db2.gz ROLBJRHRIAGBMA-AQRBRUGDSA-N 2 1 337.552 3.147 20 0 EGADMP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104678843 1366128328 /nfs/dbraw/zinc/12/83/28/1366128328.db2.gz DVLVESFCRGAOQQ-AHSYYPKJSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CC[C@H](C)C2)CCC1 ZINC001105563327 1366532825 /nfs/dbraw/zinc/53/28/25/1366532825.db2.gz JYCCIJHIQNMOQZ-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106726924 1366782083 /nfs/dbraw/zinc/78/20/83/1366782083.db2.gz CUHIPMQMWDMPSM-KZNAEPCWSA-N 2 1 348.535 3.127 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107451638 1366968503 /nfs/dbraw/zinc/96/85/03/1366968503.db2.gz ZOYWNQBURGMSDC-ASJVDEDQSA-N 2 1 349.563 3.434 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CCCC1)CC2 ZINC001107524038 1367018085 /nfs/dbraw/zinc/01/80/85/1367018085.db2.gz DMVKMBAWHHAHOJ-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109264197 1367033028 /nfs/dbraw/zinc/03/30/28/1367033028.db2.gz OZYRVYPNMSWUOD-XWSJACJDSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109264197 1367033032 /nfs/dbraw/zinc/03/30/32/1367033032.db2.gz OZYRVYPNMSWUOD-XWSJACJDSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001109264197 1367033035 /nfs/dbraw/zinc/03/30/35/1367033035.db2.gz OZYRVYPNMSWUOD-XWSJACJDSA-N 2 1 335.536 3.017 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107547408 1367036909 /nfs/dbraw/zinc/03/69/09/1367036909.db2.gz LVAYVBPYQOHMCT-NLWGTHIKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107547408 1367036911 /nfs/dbraw/zinc/03/69/11/1367036911.db2.gz LVAYVBPYQOHMCT-NLWGTHIKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107547408 1367036916 /nfs/dbraw/zinc/03/69/16/1367036916.db2.gz LVAYVBPYQOHMCT-NLWGTHIKSA-N 2 1 335.536 3.022 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546462 1367037360 /nfs/dbraw/zinc/03/73/60/1367037360.db2.gz DHVOJGADTJMQBZ-BYZPHCBNSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546462 1367037365 /nfs/dbraw/zinc/03/73/65/1367037365.db2.gz DHVOJGADTJMQBZ-BYZPHCBNSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546462 1367037369 /nfs/dbraw/zinc/03/73/69/1367037369.db2.gz DHVOJGADTJMQBZ-BYZPHCBNSA-N 2 1 347.547 3.188 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609643 1367070255 /nfs/dbraw/zinc/07/02/55/1367070255.db2.gz ZYSXXZJKBIRMQC-QKNQBKEWSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609643 1367070259 /nfs/dbraw/zinc/07/02/59/1367070259.db2.gz ZYSXXZJKBIRMQC-QKNQBKEWSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609643 1367070262 /nfs/dbraw/zinc/07/02/62/1367070262.db2.gz ZYSXXZJKBIRMQC-QKNQBKEWSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107613900 1367072750 /nfs/dbraw/zinc/07/27/50/1367072750.db2.gz DZNYLGIWLRZCGL-HFYBBEMZSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107613996 1367073040 /nfs/dbraw/zinc/07/30/40/1367073040.db2.gz JYHXESNDRXREIU-UYAOXDASSA-N 2 1 337.552 3.269 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107614723 1367074156 /nfs/dbraw/zinc/07/41/56/1367074156.db2.gz KFGLHEKELYTNKP-WKQNUPFUSA-N 2 1 349.563 3.435 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CCC)CCC[C@@H]12 ZINC001107614723 1367074163 /nfs/dbraw/zinc/07/41/63/1367074163.db2.gz KFGLHEKELYTNKP-WKQNUPFUSA-N 2 1 349.563 3.435 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)CCC)CCC[C@@H]12 ZINC001107614723 1367074168 /nfs/dbraw/zinc/07/41/68/1367074168.db2.gz KFGLHEKELYTNKP-WKQNUPFUSA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+](C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1)C1CC1 ZINC001109406035 1367107518 /nfs/dbraw/zinc/10/75/18/1367107518.db2.gz LMETVXWEDQBEQY-FYQPLNBISA-N 2 1 347.547 3.019 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109417871 1367112144 /nfs/dbraw/zinc/11/21/44/1367112144.db2.gz PUHHOXUPPQTTIS-YRXWBPOGSA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001109417871 1367112147 /nfs/dbraw/zinc/11/21/47/1367112147.db2.gz PUHHOXUPPQTTIS-YRXWBPOGSA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001109417871 1367112151 /nfs/dbraw/zinc/11/21/51/1367112151.db2.gz PUHHOXUPPQTTIS-YRXWBPOGSA-N 2 1 335.536 3.163 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCC3CCCCC3)C[C@H]21 ZINC001189913718 1367130007 /nfs/dbraw/zinc/13/00/07/1367130007.db2.gz XQEPIBBDZOQVBQ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21 ZINC001189913718 1367130009 /nfs/dbraw/zinc/13/00/09/1367130009.db2.gz XQEPIBBDZOQVBQ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21 ZINC001189913718 1367130015 /nfs/dbraw/zinc/13/00/15/1367130015.db2.gz XQEPIBBDZOQVBQ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1csc(C)c1 ZINC001109464262 1367138210 /nfs/dbraw/zinc/13/82/10/1367138210.db2.gz SYWAKLKNTQWLAD-IKGGRYGDSA-N 2 1 349.544 3.008 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1csc(C)c1 ZINC001109464262 1367138216 /nfs/dbraw/zinc/13/82/16/1367138216.db2.gz SYWAKLKNTQWLAD-IKGGRYGDSA-N 2 1 349.544 3.008 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1csc(C)c1 ZINC001109464262 1367138223 /nfs/dbraw/zinc/13/82/23/1367138223.db2.gz SYWAKLKNTQWLAD-IKGGRYGDSA-N 2 1 349.544 3.008 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1csc(C)c1 ZINC001109464262 1367138225 /nfs/dbraw/zinc/13/82/25/1367138225.db2.gz SYWAKLKNTQWLAD-IKGGRYGDSA-N 2 1 349.544 3.008 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@]1(C)CCC[NH+](CCC2CCCC2)C1 ZINC001324971180 1387858587 /nfs/dbraw/zinc/85/85/87/1387858587.db2.gz FPJDKHAJURASMD-FQEVSTJZSA-N 2 1 337.552 3.127 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+](CCC2CCCC2)C1 ZINC001324971180 1387858589 /nfs/dbraw/zinc/85/85/89/1387858589.db2.gz FPJDKHAJURASMD-FQEVSTJZSA-N 2 1 337.552 3.127 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@@H+](CCC2CCCC2)C1 ZINC001324971180 1387858591 /nfs/dbraw/zinc/85/85/91/1387858591.db2.gz FPJDKHAJURASMD-FQEVSTJZSA-N 2 1 337.552 3.127 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190178928 1367192170 /nfs/dbraw/zinc/19/21/70/1367192170.db2.gz XUYXEWOXZZKREJ-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190178928 1367192172 /nfs/dbraw/zinc/19/21/72/1367192172.db2.gz XUYXEWOXZZKREJ-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190178928 1367192174 /nfs/dbraw/zinc/19/21/74/1367192174.db2.gz XUYXEWOXZZKREJ-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCCC2)CC1 ZINC001109649812 1367263307 /nfs/dbraw/zinc/26/33/07/1367263307.db2.gz FQAIFDQTPDNYQA-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001109796957 1367327620 /nfs/dbraw/zinc/32/76/20/1367327620.db2.gz NUHSNZQGSKPUIW-RDGPPVDQSA-N 2 1 335.536 3.163 20 0 EGADMP C[N@@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190743586 1367341093 /nfs/dbraw/zinc/34/10/93/1367341093.db2.gz LUWFPPYOFIUOSJ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001190743586 1367341096 /nfs/dbraw/zinc/34/10/96/1367341096.db2.gz LUWFPPYOFIUOSJ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001190743586 1367341101 /nfs/dbraw/zinc/34/11/01/1367341101.db2.gz LUWFPPYOFIUOSJ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001110014632 1367458890 /nfs/dbraw/zinc/45/88/90/1367458890.db2.gz AKWDVEHMUPSQOC-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001110014632 1367458894 /nfs/dbraw/zinc/45/88/94/1367458894.db2.gz AKWDVEHMUPSQOC-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001110014632 1367458901 /nfs/dbraw/zinc/45/89/01/1367458901.db2.gz AKWDVEHMUPSQOC-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001108764084 1367579693 /nfs/dbraw/zinc/57/96/93/1367579693.db2.gz DHDPHGFPXQPKAG-QHWWWDCYSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001108764278 1367579770 /nfs/dbraw/zinc/57/97/70/1367579770.db2.gz BXNGRPOOXRPNNB-FHWLQOOXSA-N 2 1 349.563 3.124 20 0 EGADMP CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001108770535 1367586109 /nfs/dbraw/zinc/58/61/09/1367586109.db2.gz RVXOTUZETISLJH-KSZLIROESA-N 2 1 346.519 3.166 20 0 EGADMP CCCCC[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192642620 1367841003 /nfs/dbraw/zinc/84/10/03/1367841003.db2.gz VZKGQXKODIPDCE-KRWDZBQOSA-N 2 1 334.508 3.120 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192642620 1367841010 /nfs/dbraw/zinc/84/10/10/1367841010.db2.gz VZKGQXKODIPDCE-KRWDZBQOSA-N 2 1 334.508 3.120 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916606 1367904029 /nfs/dbraw/zinc/90/40/29/1367904029.db2.gz ABDFNGFUKHMQNE-MMKWGKFASA-N 2 1 337.552 3.242 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001110682906 1367925074 /nfs/dbraw/zinc/92/50/74/1367925074.db2.gz HVICFXZEPHZQFZ-WTGUMLROSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001110682906 1367925077 /nfs/dbraw/zinc/92/50/77/1367925077.db2.gz HVICFXZEPHZQFZ-WTGUMLROSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001110682906 1367925080 /nfs/dbraw/zinc/92/50/80/1367925080.db2.gz HVICFXZEPHZQFZ-WTGUMLROSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001110683103 1367925251 /nfs/dbraw/zinc/92/52/51/1367925251.db2.gz QKCMPDUECVQLBF-MANSERQUSA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1 ZINC001110683103 1367925253 /nfs/dbraw/zinc/92/52/53/1367925253.db2.gz QKCMPDUECVQLBF-MANSERQUSA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1 ZINC001110683103 1367925260 /nfs/dbraw/zinc/92/52/60/1367925260.db2.gz QKCMPDUECVQLBF-MANSERQUSA-N 2 1 347.547 3.019 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001110738436 1367954952 /nfs/dbraw/zinc/95/49/52/1367954952.db2.gz DGVRLCMIEWOWFJ-KURKYZTESA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001110738436 1367954962 /nfs/dbraw/zinc/95/49/62/1367954962.db2.gz DGVRLCMIEWOWFJ-KURKYZTESA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001110738436 1367954969 /nfs/dbraw/zinc/95/49/69/1367954969.db2.gz DGVRLCMIEWOWFJ-KURKYZTESA-N 2 1 335.536 3.019 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408136 1368020074 /nfs/dbraw/zinc/02/00/74/1368020074.db2.gz DRVREWJIEBUXON-TZIWHRDSSA-N 2 1 345.531 3.186 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408134 1368020558 /nfs/dbraw/zinc/02/05/58/1368020558.db2.gz DRVREWJIEBUXON-FPOVZHCZSA-N 2 1 345.531 3.186 20 0 EGADMP CCCC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001193425136 1368026324 /nfs/dbraw/zinc/02/63/24/1368026324.db2.gz TYLGGYKTXPRBJC-SFHVURJKSA-N 2 1 325.541 3.221 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@@H]([NH+](C)CC2CCC2)C1)c1ccccc1 ZINC001193424611 1368027597 /nfs/dbraw/zinc/02/75/97/1368027597.db2.gz NXBDFIBANYWFRP-WOJBJXKFSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCC2)C1)c1ccccc1 ZINC001193424611 1368027601 /nfs/dbraw/zinc/02/76/01/1368027601.db2.gz NXBDFIBANYWFRP-WOJBJXKFSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCC2)C1)c1ccccc1 ZINC001193424611 1368027603 /nfs/dbraw/zinc/02/76/03/1368027603.db2.gz NXBDFIBANYWFRP-WOJBJXKFSA-N 2 1 343.515 3.012 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001193560026 1368061496 /nfs/dbraw/zinc/06/14/96/1368061496.db2.gz NYDWGPBIKAFYTR-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571958 1368065230 /nfs/dbraw/zinc/06/52/30/1368065230.db2.gz YWNGYKDMMPICKT-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@@H](CC)c2ccccc2)C1 ZINC001193609481 1368073103 /nfs/dbraw/zinc/07/31/03/1368073103.db2.gz BJHZZNLUOWCVFN-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](CC)c2ccccc2)C1 ZINC001193609481 1368073106 /nfs/dbraw/zinc/07/31/06/1368073106.db2.gz BJHZZNLUOWCVFN-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](CC)c2ccccc2)C1 ZINC001193609481 1368073110 /nfs/dbraw/zinc/07/31/10/1368073110.db2.gz BJHZZNLUOWCVFN-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1)[NH+](CC)CC ZINC001111018188 1368143494 /nfs/dbraw/zinc/14/34/94/1368143494.db2.gz MHDOGXTZSAYMRD-ZRNYENFQSA-N 2 1 349.563 3.409 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001111018451 1368143540 /nfs/dbraw/zinc/14/35/40/1368143540.db2.gz VJRDJWHQJJKHMR-YRXWBPOGSA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1)[NH+](C)C ZINC001111037255 1368147452 /nfs/dbraw/zinc/14/74/52/1368147452.db2.gz SOJKMZYORRGFDM-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001111097011 1368158523 /nfs/dbraw/zinc/15/85/23/1368158523.db2.gz GOKZPCBWIXIVLW-LEIBLDFBSA-N 2 1 347.547 3.329 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CC ZINC001111160012 1368170259 /nfs/dbraw/zinc/17/02/59/1368170259.db2.gz ALNPQSGOOXIZKL-MANSERQUSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)CC ZINC001111160012 1368170262 /nfs/dbraw/zinc/17/02/62/1368170262.db2.gz ALNPQSGOOXIZKL-MANSERQUSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CC ZINC001111160012 1368170266 /nfs/dbraw/zinc/17/02/66/1368170266.db2.gz ALNPQSGOOXIZKL-MANSERQUSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCCC1 ZINC001111233816 1368209926 /nfs/dbraw/zinc/20/99/26/1368209926.db2.gz WSWVGEHBJOBLRP-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCCC1 ZINC001111233816 1368209929 /nfs/dbraw/zinc/20/99/29/1368209929.db2.gz WSWVGEHBJOBLRP-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCCC1 ZINC001111233816 1368209931 /nfs/dbraw/zinc/20/99/31/1368209931.db2.gz WSWVGEHBJOBLRP-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245529 1368216448 /nfs/dbraw/zinc/21/64/48/1368216448.db2.gz BVNKFMFDJPZSQM-UEKDZROGSA-N 2 1 335.536 3.142 20 0 EGADMP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274812 1368221205 /nfs/dbraw/zinc/22/12/05/1368221205.db2.gz LXXCSBUKWVIMDT-PMACEKPBSA-N 2 1 345.531 3.258 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274812 1368221206 /nfs/dbraw/zinc/22/12/06/1368221206.db2.gz LXXCSBUKWVIMDT-PMACEKPBSA-N 2 1 345.531 3.258 20 0 EGADMP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274514 1368221250 /nfs/dbraw/zinc/22/12/50/1368221250.db2.gz JANPRMNCSCMDBZ-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274514 1368221254 /nfs/dbraw/zinc/22/12/54/1368221254.db2.gz JANPRMNCSCMDBZ-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001194274390 1368221521 /nfs/dbraw/zinc/22/15/21/1368221521.db2.gz HHPCYBIDYMAZHO-ZWKOTPCHSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429518 1368259700 /nfs/dbraw/zinc/25/97/00/1368259700.db2.gz KBLJAKOOIUHUMO-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1)[NH+]1CCCCC1 ZINC001111463467 1368311909 /nfs/dbraw/zinc/31/19/09/1368311909.db2.gz SHMWKZPXNWESBB-YSTOQKLRSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001111467437 1368312017 /nfs/dbraw/zinc/31/20/17/1368312017.db2.gz IXMTYQVTBUDBGR-ZRNYENFQSA-N 2 1 343.515 3.057 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001111467437 1368312020 /nfs/dbraw/zinc/31/20/20/1368312020.db2.gz IXMTYQVTBUDBGR-ZRNYENFQSA-N 2 1 343.515 3.057 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467442 1368312327 /nfs/dbraw/zinc/31/23/27/1368312327.db2.gz JDDUXVJCOBUNQP-MIIYPZDFSA-N 2 1 347.547 3.185 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111779001 1368457648 /nfs/dbraw/zinc/45/76/48/1368457648.db2.gz SIIPPLRHWFJBJM-LQWHRVPQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001111779001 1368457652 /nfs/dbraw/zinc/45/76/52/1368457652.db2.gz SIIPPLRHWFJBJM-LQWHRVPQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001111779001 1368457655 /nfs/dbraw/zinc/45/76/55/1368457655.db2.gz SIIPPLRHWFJBJM-LQWHRVPQSA-N 2 1 349.563 3.124 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)C[C@@H](C)n2ccnc2CC)CC1 ZINC001195900678 1368513009 /nfs/dbraw/zinc/51/30/09/1368513009.db2.gz OZRLZGQBDZQVOP-QGZVFWFLSA-N 2 1 334.508 3.121 20 0 EGADMP CCCCC[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001195900678 1368513016 /nfs/dbraw/zinc/51/30/16/1368513016.db2.gz OZRLZGQBDZQVOP-QGZVFWFLSA-N 2 1 334.508 3.121 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001195900678 1368513018 /nfs/dbraw/zinc/51/30/18/1368513018.db2.gz OZRLZGQBDZQVOP-QGZVFWFLSA-N 2 1 334.508 3.121 20 0 EGADMP CCc1nccn1[C@H](C)CC(=O)N1CCC[N@@H+](CCCC(C)C)CC1 ZINC001195901329 1368513079 /nfs/dbraw/zinc/51/30/79/1368513079.db2.gz YZVOKLBJBMBFQX-GOSISDBHSA-N 2 1 348.535 3.367 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[N@H+](CCCC(C)C)CC1 ZINC001195901329 1368513083 /nfs/dbraw/zinc/51/30/83/1368513083.db2.gz YZVOKLBJBMBFQX-GOSISDBHSA-N 2 1 348.535 3.367 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[N@@H+](CCCC(C)C)CC1 ZINC001195901329 1368513085 /nfs/dbraw/zinc/51/30/85/1368513085.db2.gz YZVOKLBJBMBFQX-GOSISDBHSA-N 2 1 348.535 3.367 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC(C)(C)C)C2 ZINC001111870661 1368518093 /nfs/dbraw/zinc/51/80/93/1368518093.db2.gz IKBAJDPRHIXUJD-LQWHRVPQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC(C)(C)C)C2 ZINC001111870661 1368518097 /nfs/dbraw/zinc/51/80/97/1368518097.db2.gz IKBAJDPRHIXUJD-LQWHRVPQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC(C)(C)C)C2 ZINC001111870661 1368518100 /nfs/dbraw/zinc/51/81/00/1368518100.db2.gz IKBAJDPRHIXUJD-LQWHRVPQSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCC1)C2)CC(C)(C)C ZINC001111872935 1368520045 /nfs/dbraw/zinc/52/00/45/1368520045.db2.gz AQLHKYWBVDVZHE-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCCC1)C2)CC(C)(C)C ZINC001111872935 1368520048 /nfs/dbraw/zinc/52/00/48/1368520048.db2.gz AQLHKYWBVDVZHE-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCC1)C2)CC(C)(C)C ZINC001111872935 1368520051 /nfs/dbraw/zinc/52/00/51/1368520051.db2.gz AQLHKYWBVDVZHE-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC=C(C)C)C2 ZINC001111903770 1368548207 /nfs/dbraw/zinc/54/82/07/1368548207.db2.gz PABMOXYTPQCNTP-FPOVZHCZSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC=C(C)C)C2 ZINC001111903770 1368548212 /nfs/dbraw/zinc/54/82/12/1368548212.db2.gz PABMOXYTPQCNTP-FPOVZHCZSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC=C(C)C)C2 ZINC001111903770 1368548213 /nfs/dbraw/zinc/54/82/13/1368548213.db2.gz PABMOXYTPQCNTP-FPOVZHCZSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001196275901 1368582539 /nfs/dbraw/zinc/58/25/39/1368582539.db2.gz OSAAZSWLSKTVQI-RBUKOAKNSA-N 2 1 335.536 3.118 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001196275901 1368582541 /nfs/dbraw/zinc/58/25/41/1368582541.db2.gz OSAAZSWLSKTVQI-RBUKOAKNSA-N 2 1 335.536 3.118 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001196275901 1368582544 /nfs/dbraw/zinc/58/25/44/1368582544.db2.gz OSAAZSWLSKTVQI-RBUKOAKNSA-N 2 1 335.536 3.118 20 0 EGADMP CC[C@H](C(=O)N1CCC[N@@H+](CC2CC(C)(C)C2)CC1)[NH+](CC)CC ZINC001197141338 1368753563 /nfs/dbraw/zinc/75/35/63/1368753563.db2.gz GZFNVQXLUGAFBB-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C(=O)N1CCC[N@@H+](CCC2CCCC2)CC1)[NH+](CC)CC ZINC001197141096 1368753590 /nfs/dbraw/zinc/75/35/90/1368753590.db2.gz BCLOLCVTMBMBAN-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001197404317 1368807702 /nfs/dbraw/zinc/80/77/02/1368807702.db2.gz XQMVNSGDDHRIOF-RTBURBONSA-N 2 1 335.536 3.118 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001197404317 1368807708 /nfs/dbraw/zinc/80/77/08/1368807708.db2.gz XQMVNSGDDHRIOF-RTBURBONSA-N 2 1 335.536 3.118 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001197404317 1368807714 /nfs/dbraw/zinc/80/77/14/1368807714.db2.gz XQMVNSGDDHRIOF-RTBURBONSA-N 2 1 335.536 3.118 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)(C)C)C1 ZINC001112431614 1368847383 /nfs/dbraw/zinc/84/73/83/1368847383.db2.gz MGSIBUDPOQOIPN-UEXGIBASSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001112437106 1368852662 /nfs/dbraw/zinc/85/26/62/1368852662.db2.gz XXQSQQSGZPDBBR-HZLSTUHESA-N 2 1 349.563 3.291 20 0 EGADMP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001112514744 1368909037 /nfs/dbraw/zinc/90/90/37/1368909037.db2.gz HEUADSWUTWXWAV-DYXWJJEUSA-N 2 1 349.563 3.127 20 0 EGADMP CCC/C=C/CC[N@@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001197842056 1368910542 /nfs/dbraw/zinc/91/05/42/1368910542.db2.gz DEGOCGPJELDYJP-VOTSOKGWSA-N 2 1 344.503 3.042 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001197842056 1368910545 /nfs/dbraw/zinc/91/05/45/1368910545.db2.gz DEGOCGPJELDYJP-VOTSOKGWSA-N 2 1 344.503 3.042 20 0 EGADMP C[C@@H](c1ccccc1F)[N@@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197879633 1368917436 /nfs/dbraw/zinc/91/74/36/1368917436.db2.gz KQBIQFQKWIBUFT-KRWDZBQOSA-N 2 1 349.494 3.153 20 0 EGADMP C[C@@H](c1ccccc1F)[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197879633 1368917442 /nfs/dbraw/zinc/91/74/42/1368917442.db2.gz KQBIQFQKWIBUFT-KRWDZBQOSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001186598740 1387982595 /nfs/dbraw/zinc/98/25/95/1387982595.db2.gz WKDIVBLGNLFZFR-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001200507749 1369382503 /nfs/dbraw/zinc/38/25/03/1369382503.db2.gz QKXARTHIYZHGFK-RURPWVQCSA-N 2 1 335.536 3.186 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](CCCC2CCC2)CC1)C(C)C ZINC001113441436 1369430938 /nfs/dbraw/zinc/43/09/38/1369430938.db2.gz AQOXVPIRDZLJKD-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](CCC2=CCCCC2)CC1)C(C)C ZINC001113441455 1369430954 /nfs/dbraw/zinc/43/09/54/1369430954.db2.gz BDQCPMDXZOKEGA-FQEVSTJZSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053878 1369473208 /nfs/dbraw/zinc/47/32/08/1369473208.db2.gz ZXUZJCVONWUWBO-KRWDZBQOSA-N 2 1 346.519 3.167 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CC2CCC(C)CC2)CC1 ZINC001201321540 1369518757 /nfs/dbraw/zinc/51/87/57/1369518757.db2.gz OVHGXVKNURRLMW-UHFFFAOYSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001201327685 1369520488 /nfs/dbraw/zinc/52/04/88/1369520488.db2.gz PZXWGVBESQWLBM-UHFFFAOYSA-N 2 1 325.541 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001201526321 1369565685 /nfs/dbraw/zinc/56/56/85/1369565685.db2.gz XDYSHUCXWWLAIC-AABGKKOBSA-N 2 1 332.536 3.493 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001201526321 1369565689 /nfs/dbraw/zinc/56/56/89/1369565689.db2.gz XDYSHUCXWWLAIC-AABGKKOBSA-N 2 1 332.536 3.493 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001201526321 1369565694 /nfs/dbraw/zinc/56/56/94/1369565694.db2.gz XDYSHUCXWWLAIC-AABGKKOBSA-N 2 1 332.536 3.493 20 0 EGADMP CC/C=C\CC[NH+]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001113716993 1369584396 /nfs/dbraw/zinc/58/43/96/1369584396.db2.gz MFZVJIKSPVPKEL-FPLPWBNLSA-N 2 1 347.503 3.236 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001202077556 1369682662 /nfs/dbraw/zinc/68/26/62/1369682662.db2.gz JEIBZUZXJRXGKH-RTBURBONSA-N 2 1 331.504 3.041 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001202077556 1369682672 /nfs/dbraw/zinc/68/26/72/1369682672.db2.gz JEIBZUZXJRXGKH-RTBURBONSA-N 2 1 331.504 3.041 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001202077556 1369682676 /nfs/dbraw/zinc/68/26/76/1369682676.db2.gz JEIBZUZXJRXGKH-RTBURBONSA-N 2 1 331.504 3.041 20 0 EGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001202656451 1369839625 /nfs/dbraw/zinc/83/96/25/1369839625.db2.gz VWMZNBPQKBLATE-BBWFWOEESA-N 2 1 341.540 3.390 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001202656451 1369839627 /nfs/dbraw/zinc/83/96/27/1369839627.db2.gz VWMZNBPQKBLATE-BBWFWOEESA-N 2 1 341.540 3.390 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](CCC4CCOCC4)C[C@H]3C2)cc1 ZINC001202668457 1369843668 /nfs/dbraw/zinc/84/36/68/1369843668.db2.gz MPSWWUVUPBZAEP-SFTDATJTSA-N 2 1 328.500 3.257 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001202947318 1369933735 /nfs/dbraw/zinc/93/37/35/1369933735.db2.gz MRXXOBYPNSSITK-UHFFFAOYSA-N 2 1 346.519 3.133 20 0 EGADMP CCC1(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)COC1 ZINC001202969529 1369941102 /nfs/dbraw/zinc/94/11/02/1369941102.db2.gz YXGCZHYZIQLTQE-WOJBJXKFSA-N 2 1 328.500 3.257 20 0 EGADMP CCC1(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)COC1 ZINC001202969529 1369941107 /nfs/dbraw/zinc/94/11/07/1369941107.db2.gz YXGCZHYZIQLTQE-WOJBJXKFSA-N 2 1 328.500 3.257 20 0 EGADMP CCC1(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)COC1 ZINC001202969529 1369941110 /nfs/dbraw/zinc/94/11/10/1369941110.db2.gz YXGCZHYZIQLTQE-WOJBJXKFSA-N 2 1 328.500 3.257 20 0 EGADMP CC[C@@H]([NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1)c1ccccc1 ZINC001203215817 1370029129 /nfs/dbraw/zinc/02/91/29/1370029129.db2.gz ZOOBZYCHIMELGT-LJQANCHMSA-N 2 1 331.504 3.060 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203507072 1370148187 /nfs/dbraw/zinc/14/81/87/1370148187.db2.gz NYXSBNOBIIYHGO-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP Cc1cc(C)c(C[NH2+]C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)c(C)c1 ZINC001203925922 1370316885 /nfs/dbraw/zinc/31/68/85/1370316885.db2.gz ZSCRYQXWLXIXFI-UHFFFAOYSA-N 2 1 345.531 3.033 20 0 EGADMP CCc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001204175484 1370399373 /nfs/dbraw/zinc/39/93/73/1370399373.db2.gz DOZRPNLIAOSBFX-UHFFFAOYSA-N 2 1 338.499 3.100 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)cc1 ZINC001204267003 1370426942 /nfs/dbraw/zinc/42/69/42/1370426942.db2.gz CJDMADMBYSRBLV-LJQANCHMSA-N 2 1 339.483 3.402 20 0 EGADMP Cc1cc(N2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)cc[nH+]1 ZINC001204423707 1370473417 /nfs/dbraw/zinc/47/34/17/1370473417.db2.gz FWIDBZVLNIYJDH-UHFFFAOYSA-N 2 1 333.382 3.314 20 0 EGADMP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115535366 1370532080 /nfs/dbraw/zinc/53/20/80/1370532080.db2.gz SRKOZEAUXAIUKW-QZTJIDSGSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001115535360 1370532432 /nfs/dbraw/zinc/53/24/32/1370532432.db2.gz SOHQQPBHLSCXFZ-UBAGTECSSA-N 2 1 341.927 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](C)CC)CCCCC1 ZINC001115563127 1370563051 /nfs/dbraw/zinc/56/30/51/1370563051.db2.gz QULBIMDRZAGVID-ROUUACIJSA-N 2 1 337.552 3.316 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1 ZINC001115562951 1370563114 /nfs/dbraw/zinc/56/31/14/1370563114.db2.gz MUEZLUDZQLINFC-CTWPCTMYSA-N 2 1 349.563 3.316 20 0 EGADMP Cc1ccc(OCc2ccccc2)c(C[N@@H+]2CCO[C@@H](CC[NH3+])C2)c1 ZINC001204756149 1370567934 /nfs/dbraw/zinc/56/79/34/1370567934.db2.gz MBNNSGYBEMGBCY-FQEVSTJZSA-N 2 1 340.467 3.124 20 0 EGADMP Cc1ccc(OCc2ccccc2)c(C[N@H+]2CCO[C@@H](CC[NH3+])C2)c1 ZINC001204756149 1370567936 /nfs/dbraw/zinc/56/79/36/1370567936.db2.gz MBNNSGYBEMGBCY-FQEVSTJZSA-N 2 1 340.467 3.124 20 0 EGADMP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC001115573101 1370575923 /nfs/dbraw/zinc/57/59/23/1370575923.db2.gz HZWDGYAJKVPEAZ-QGZVFWFLSA-N 2 1 346.519 3.359 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115579518 1370583009 /nfs/dbraw/zinc/58/30/09/1370583009.db2.gz SFKLEWUXCTWUHO-SFHVURJKSA-N 2 1 335.536 3.070 20 0 EGADMP Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(N3CC[NH2+]CC3)nc2)c1 ZINC001204854842 1370591521 /nfs/dbraw/zinc/59/15/21/1370591521.db2.gz SXFZHULUHLULMU-HXUWFJFHSA-N 2 1 336.483 3.137 20 0 EGADMP CC(C)CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115598009 1370598156 /nfs/dbraw/zinc/59/81/56/1370598156.db2.gz FHKQSIKGPVNCQW-GOSISDBHSA-N 2 1 337.552 3.316 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730938 1370713848 /nfs/dbraw/zinc/71/38/48/1370713848.db2.gz VJUMGDWBWLALOF-FUHWJXTLSA-N 2 1 337.552 3.029 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205304685 1370715086 /nfs/dbraw/zinc/71/50/86/1370715086.db2.gz OZKHOIFRSKSPEA-AAEUAGOBSA-N 2 1 332.366 3.011 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205304685 1370715087 /nfs/dbraw/zinc/71/50/87/1370715087.db2.gz OZKHOIFRSKSPEA-AAEUAGOBSA-N 2 1 332.366 3.011 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C[C@@H]1C[NH3+] ZINC001205306344 1370715354 /nfs/dbraw/zinc/71/53/54/1370715354.db2.gz VOORKRCBQGLNLM-YPMHNXCESA-N 2 1 334.357 3.340 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)C[C@H]1C[NH3+] ZINC001205314355 1370718401 /nfs/dbraw/zinc/71/84/01/1370718401.db2.gz BBYFETSPFDITAK-DZGCQCFKSA-N 2 1 331.410 3.444 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cn2)C[C@H]1C[NH3+] ZINC001205317739 1370719637 /nfs/dbraw/zinc/71/96/37/1370719637.db2.gz PSDADGQBNMWZOQ-FUHWJXTLSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cn2)C[C@H]1C[NH3+] ZINC001205317739 1370719643 /nfs/dbraw/zinc/71/96/43/1370719643.db2.gz PSDADGQBNMWZOQ-FUHWJXTLSA-N 2 1 325.456 3.077 20 0 EGADMP COc1cc(OC)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c2ccccc12 ZINC001205318345 1370719939 /nfs/dbraw/zinc/71/99/39/1370719939.db2.gz UJYYHMUTEGVXSA-GJZGRUSLSA-N 2 1 328.456 3.274 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cnc3cc(Br)ccc3c2)C[C@@H]1C[NH3+] ZINC001205319474 1370720774 /nfs/dbraw/zinc/72/07/74/1370720774.db2.gz ZXKXGXKYAPUCHL-DOMZBBRYSA-N 2 1 348.288 3.414 20 0 EGADMP CC[C@H](C)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCCCC1 ZINC001115754010 1370735279 /nfs/dbraw/zinc/73/52/79/1370735279.db2.gz LFKCIZOIDLZORZ-KRWDZBQOSA-N 2 1 348.535 3.461 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001115768948 1370753310 /nfs/dbraw/zinc/75/33/10/1370753310.db2.gz OHMZWPQXYLBEME-OALUTQOASA-N 2 1 347.547 3.378 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001205519086 1370778422 /nfs/dbraw/zinc/77/84/22/1370778422.db2.gz UWDLMCVPXGJZMT-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP COc1cc(Br)ccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205626916 1370816708 /nfs/dbraw/zinc/81/67/08/1370816708.db2.gz KPQRIIUSFGONHD-STQMWFEESA-N 2 1 341.293 3.265 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(O)c(OC(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC001205636016 1370820868 /nfs/dbraw/zinc/82/08/68/1370820868.db2.gz BQOMPPZBFLJTRW-YPMHNXCESA-N 2 1 332.366 3.098 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205653278 1370828702 /nfs/dbraw/zinc/82/87/02/1370828702.db2.gz SKIFXXRGRAMDLT-HUUCEWRRSA-N 2 1 332.879 3.333 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC001205663747 1370833980 /nfs/dbraw/zinc/83/39/80/1370833980.db2.gz KOOCHMYRIVQAOZ-HXUWFJFHSA-N 2 1 326.440 3.155 20 0 EGADMP Cc1cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)ccc1Oc1ccccc1 ZINC001205735739 1370855338 /nfs/dbraw/zinc/85/53/38/1370855338.db2.gz QENRCDAUKFXWRP-OAQYLSRUSA-N 2 1 340.467 3.463 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001205832023 1370886988 /nfs/dbraw/zinc/88/69/88/1370886988.db2.gz YXIJKVSKGKMSKL-FZMZJTMJSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001205832023 1370886993 /nfs/dbraw/zinc/88/69/93/1370886993.db2.gz YXIJKVSKGKMSKL-FZMZJTMJSA-N 2 1 336.277 3.490 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)n(C)n1 ZINC001205890412 1370901528 /nfs/dbraw/zinc/90/15/28/1370901528.db2.gz KHXSHYBDXXDBTA-LJQANCHMSA-N 2 1 342.487 3.198 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001116507717 1370926625 /nfs/dbraw/zinc/92/66/25/1370926625.db2.gz RSLMWRABMYOMDB-QKPAOTATSA-N 2 1 346.462 3.206 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2F)CCC[C@H]1C[NH3+] ZINC001205994023 1370933071 /nfs/dbraw/zinc/93/30/71/1370933071.db2.gz ITVUVBRJPMGAOT-NEPJUHHUSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c(F)cccc2Br)CCC[C@@H]1C[NH3+] ZINC001205996188 1370933492 /nfs/dbraw/zinc/93/34/92/1370933492.db2.gz VUJMDDFQFJSMLR-NWDGAFQWSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@@H]1C[N@H+](Cc2nc(Cl)ccc2Br)CCC[C@@H]1C[NH3+] ZINC001206013189 1370937712 /nfs/dbraw/zinc/93/77/12/1370937712.db2.gz QAUQKGGEXZYQTH-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2nc(Cl)ccc2Br)CCC[C@@H]1C[NH3+] ZINC001206013189 1370937715 /nfs/dbraw/zinc/93/77/15/1370937715.db2.gz QAUQKGGEXZYQTH-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206012821 1370938333 /nfs/dbraw/zinc/93/83/33/1370938333.db2.gz ODGLXNSLSJKGAX-CABCVRRESA-N 2 1 332.879 3.333 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccnc(Cl)c2Br)CCC[C@@H]1C[NH3+] ZINC001206026849 1370942385 /nfs/dbraw/zinc/94/23/85/1370942385.db2.gz UJASRDSXGXPOCU-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CCC[C@H]1C[NH3+] ZINC001206028770 1370943247 /nfs/dbraw/zinc/94/32/47/1370943247.db2.gz ZALPYBZBGZCQIA-OLZOCXBDSA-N 2 1 334.414 3.162 20 0 EGADMP CCOC(=O)c1ccc2c(C[N@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)c[nH]c2c1 ZINC001206036867 1370945985 /nfs/dbraw/zinc/94/59/85/1370945985.db2.gz SANVBKRSTGORSR-ZBFHGGJFSA-N 2 1 343.471 3.151 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001206109666 1370961476 /nfs/dbraw/zinc/96/14/76/1370961476.db2.gz UKTYOBHOUSREJA-YESZJQIVSA-N 2 1 341.540 3.483 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001206109666 1370961479 /nfs/dbraw/zinc/96/14/79/1370961479.db2.gz UKTYOBHOUSREJA-YESZJQIVSA-N 2 1 341.540 3.483 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](CCCc2cccc(Br)c2)CC[C@H]1F ZINC001206155485 1370974607 /nfs/dbraw/zinc/97/46/07/1370974607.db2.gz LSGQJIATVFFRER-HUUCEWRRSA-N 2 1 329.257 3.143 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](CCCc2cccc(Br)c2)CC[C@H]1F ZINC001206155485 1370974610 /nfs/dbraw/zinc/97/46/10/1370974610.db2.gz LSGQJIATVFFRER-HUUCEWRRSA-N 2 1 329.257 3.143 20 0 EGADMP Cc1nc(C)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)s1 ZINC001206158430 1370975685 /nfs/dbraw/zinc/97/56/85/1370975685.db2.gz IZIDNCSJJGMLEC-MSOLQXFVSA-N 2 1 342.512 3.109 20 0 EGADMP Cc1nc(C)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)s1 ZINC001206158430 1370975691 /nfs/dbraw/zinc/97/56/91/1370975691.db2.gz IZIDNCSJJGMLEC-MSOLQXFVSA-N 2 1 342.512 3.109 20 0 EGADMP Cc1nc(C)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)s1 ZINC001206158430 1370975694 /nfs/dbraw/zinc/97/56/94/1370975694.db2.gz IZIDNCSJJGMLEC-MSOLQXFVSA-N 2 1 342.512 3.109 20 0 EGADMP Cc1nc(C)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)s1 ZINC001206158430 1370975698 /nfs/dbraw/zinc/97/56/98/1370975698.db2.gz IZIDNCSJJGMLEC-MSOLQXFVSA-N 2 1 342.512 3.109 20 0 EGADMP [NH3+][C@H]1CC[N@H+](Cc2cc3cc(Br)ccc3[nH]2)CC[C@@H]1F ZINC001206174429 1370979813 /nfs/dbraw/zinc/97/98/13/1370979813.db2.gz MXJJLFHQMUJZNR-KBPBESRZSA-N 2 1 340.240 3.192 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](Cc2cc3cc(Br)ccc3[nH]2)CC[C@@H]1F ZINC001206174429 1370979817 /nfs/dbraw/zinc/97/98/17/1370979817.db2.gz MXJJLFHQMUJZNR-KBPBESRZSA-N 2 1 340.240 3.192 20 0 EGADMP COc1ccc2c(OC)ccc(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)c2c1 ZINC001206211733 1370993998 /nfs/dbraw/zinc/99/39/98/1370993998.db2.gz PIKDTGWYMKKVRV-MSOLQXFVSA-N 2 1 332.419 3.118 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1 ZINC001206275152 1371010094 /nfs/dbraw/zinc/01/00/94/1371010094.db2.gz ONHOYJKEWCLWPH-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206295794 1371014067 /nfs/dbraw/zinc/01/40/67/1371014067.db2.gz NTULIMLTDJRLAZ-HXUWFJFHSA-N 2 1 332.488 3.247 20 0 EGADMP Cc1nc(Cl)c(CC[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(Cl)n1 ZINC001206296511 1371014414 /nfs/dbraw/zinc/01/44/14/1371014414.db2.gz TXGAPRZMACXUMK-HNNXBMFYSA-N 2 1 331.291 3.085 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(Cl)c(Br)n2)CC1 ZINC001206318553 1371019655 /nfs/dbraw/zinc/01/96/55/1371019655.db2.gz RDMDCMHGZHWTPD-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Cl)c(Br)n2)CC1 ZINC001206318553 1371019662 /nfs/dbraw/zinc/01/96/62/1371019662.db2.gz RDMDCMHGZHWTPD-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP COc1cc(Br)cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206317459 1371020001 /nfs/dbraw/zinc/02/00/01/1371020001.db2.gz GCJZDBVADITVJF-INIZCTEOSA-N 2 1 341.293 3.409 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CC1 ZINC001206324363 1371022387 /nfs/dbraw/zinc/02/23/87/1371022387.db2.gz AITPDXALZBOSDO-GOSISDBHSA-N 2 1 332.879 3.477 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2Oc2cnccn2)CC1 ZINC001206326810 1371023133 /nfs/dbraw/zinc/02/31/33/1371023133.db2.gz PGXGGKCLVJIEPD-LJQANCHMSA-N 2 1 326.444 3.220 20 0 EGADMP O[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1cc2ccccc2o1 ZINC001117741924 1371072227 /nfs/dbraw/zinc/07/22/27/1371072227.db2.gz JMNVBCPLZBESSJ-QZTJIDSGSA-N 2 1 328.456 3.417 20 0 EGADMP O[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1cc2ccccc2o1 ZINC001117741924 1371072234 /nfs/dbraw/zinc/07/22/34/1371072234.db2.gz JMNVBCPLZBESSJ-QZTJIDSGSA-N 2 1 328.456 3.417 20 0 EGADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCc2ccc(Br)cc2)C1 ZINC001206542290 1371087245 /nfs/dbraw/zinc/08/72/45/1371087245.db2.gz XFKZDHKYBRTCTB-MRXNPFEDSA-N 2 1 325.294 3.443 20 0 EGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(Oc3ncccn3)c2)C1 ZINC001206548144 1371089770 /nfs/dbraw/zinc/08/97/70/1371089770.db2.gz HOKIYAWLZPTCFM-LJQANCHMSA-N 2 1 326.444 3.220 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206550007 1371091554 /nfs/dbraw/zinc/09/15/54/1371091554.db2.gz SWGFIQSIFDAGQJ-OAQYLSRUSA-N 2 1 340.515 3.499 20 0 EGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(OC3CCOCC3)cc2)C1 ZINC001206554430 1371092725 /nfs/dbraw/zinc/09/27/25/1371092725.db2.gz CHKHMNXFOYNTGN-FQEVSTJZSA-N 2 1 332.488 3.195 20 0 EGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)C1 ZINC001206573769 1371097320 /nfs/dbraw/zinc/09/73/20/1371097320.db2.gz NTZQPOICKZWWAL-SFHVURJKSA-N 2 1 332.879 3.477 20 0 EGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)C1 ZINC001206573768 1371097767 /nfs/dbraw/zinc/09/77/67/1371097767.db2.gz NTZQPOICKZWWAL-GOSISDBHSA-N 2 1 332.879 3.477 20 0 EGADMP CC(C)[N@@H+](Cc1cccc2c1OC(F)(F)O2)[C@H]1CCC[NH2+]CC1 ZINC001206589145 1371101273 /nfs/dbraw/zinc/10/12/73/1371101273.db2.gz GARUBGFXGVKLPY-AWEZNQCLSA-N 2 1 326.387 3.361 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001206622188 1371111885 /nfs/dbraw/zinc/11/18/85/1371111885.db2.gz ZYVIDWRXXQLJLU-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206809625 1371175993 /nfs/dbraw/zinc/17/59/93/1371175993.db2.gz LZJVUDCCWOBEIR-HOTGVXAUSA-N 2 1 325.456 3.316 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)no1 ZINC001206823719 1371180199 /nfs/dbraw/zinc/18/01/99/1371180199.db2.gz PXBDQKDOSCOZJW-RTBURBONSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)no1 ZINC001206823719 1371180201 /nfs/dbraw/zinc/18/02/01/1371180201.db2.gz PXBDQKDOSCOZJW-RTBURBONSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)no1 ZINC001206823719 1371180202 /nfs/dbraw/zinc/18/02/02/1371180202.db2.gz PXBDQKDOSCOZJW-RTBURBONSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)no1 ZINC001206823719 1371180214 /nfs/dbraw/zinc/18/02/14/1371180214.db2.gz PXBDQKDOSCOZJW-RTBURBONSA-N 2 1 325.456 3.327 20 0 EGADMP CCCC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001206869198 1371197566 /nfs/dbraw/zinc/19/75/66/1371197566.db2.gz XHNCDRGBJKEJKU-FQEVSTJZSA-N 2 1 345.531 3.308 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001207008240 1371266315 /nfs/dbraw/zinc/26/63/15/1371266315.db2.gz VGGBJXLNRVEXGY-SOLBZPMBSA-N 2 1 346.519 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001207008240 1371266318 /nfs/dbraw/zinc/26/63/18/1371266318.db2.gz VGGBJXLNRVEXGY-SOLBZPMBSA-N 2 1 346.519 3.023 20 0 EGADMP COC(=O)CC[C@@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207292566 1371352332 /nfs/dbraw/zinc/35/23/32/1371352332.db2.gz USTGZDQQWMGBEN-LJQANCHMSA-N 2 1 344.499 3.174 20 0 EGADMP CC[N@@H+](C)C1CC[NH+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207293196 1371352629 /nfs/dbraw/zinc/35/26/29/1371352629.db2.gz FJNUBEPSGRZGCP-UHFFFAOYSA-N 3 1 329.532 3.315 20 0 EGADMP CC[N@H+](C)C1CCN(CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207293196 1371352632 /nfs/dbraw/zinc/35/26/32/1371352632.db2.gz FJNUBEPSGRZGCP-UHFFFAOYSA-N 2 1 329.532 3.315 20 0 EGADMP CC[N@@H+](C)C1CCN(CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207293196 1371352634 /nfs/dbraw/zinc/35/26/34/1371352634.db2.gz FJNUBEPSGRZGCP-UHFFFAOYSA-N 2 1 329.532 3.315 20 0 EGADMP C[C@H]1C[C@H]2C[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)CC[C@H]2O1 ZINC001207289485 1371352796 /nfs/dbraw/zinc/35/27/96/1371352796.db2.gz PMGANFWHCHBRNX-DZFGPLHGSA-N 2 1 328.500 3.398 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCc2c(Cl)ncnc2Cl)CC1 ZINC001207328348 1371362563 /nfs/dbraw/zinc/36/25/63/1371362563.db2.gz RFHWYJNANFLVEZ-UHFFFAOYSA-N 2 1 345.318 3.378 20 0 EGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207398428 1371383992 /nfs/dbraw/zinc/38/39/92/1371383992.db2.gz OPDPZLXHYQFYOF-UHFFFAOYSA-N 3 1 329.532 3.315 20 0 EGADMP CC[N@H+](Cc1ccccc1)C1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001207398428 1371384000 /nfs/dbraw/zinc/38/40/00/1371384000.db2.gz OPDPZLXHYQFYOF-UHFFFAOYSA-N 2 1 329.532 3.315 20 0 EGADMP CC[N@@H+](Cc1ccccc1)C1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001207398428 1371384004 /nfs/dbraw/zinc/38/40/04/1371384004.db2.gz OPDPZLXHYQFYOF-UHFFFAOYSA-N 2 1 329.532 3.315 20 0 EGADMP C[NH+]1CCC(C[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC001207401146 1371385351 /nfs/dbraw/zinc/38/53/51/1371385351.db2.gz MJQGJXDESUINRS-QGZVFWFLSA-N 2 1 342.405 3.421 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC001207401146 1371385353 /nfs/dbraw/zinc/38/53/53/1371385353.db2.gz MJQGJXDESUINRS-QGZVFWFLSA-N 2 1 342.405 3.421 20 0 EGADMP CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)[N@H+]1CC1CC[NH+](C)CC1 ZINC001207401522 1371385852 /nfs/dbraw/zinc/38/58/52/1371385852.db2.gz ORIBNYPRNNJWTL-UXHICEINSA-N 2 1 344.499 3.487 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)CC1 ZINC001207480087 1371408627 /nfs/dbraw/zinc/40/86/27/1371408627.db2.gz UAQUGYGHFPGUNN-LJQANCHMSA-N 2 1 339.524 3.098 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207488375 1371411467 /nfs/dbraw/zinc/41/14/67/1371411467.db2.gz JXZXYDPARCERGI-WBVHZDCISA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)CC1 ZINC001207488128 1371412071 /nfs/dbraw/zinc/41/20/71/1371412071.db2.gz FJJUAHSPXSXPKG-UHFFFAOYSA-N 2 1 341.543 3.316 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](CCc2ccccc2F)CC1 ZINC001207502830 1371417453 /nfs/dbraw/zinc/41/74/53/1371417453.db2.gz JMQHMEZJAMMRJY-UHFFFAOYSA-N 2 1 349.538 3.498 20 0 EGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)CCc1ccc(C(C)C)cc1 ZINC001207521373 1371424389 /nfs/dbraw/zinc/42/43/89/1371424389.db2.gz VRNIQPMFKADRIG-UHFFFAOYSA-N 2 1 334.504 3.169 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001119987979 1371442962 /nfs/dbraw/zinc/44/29/62/1371442962.db2.gz DAQOXZIQMITBGT-LNLFQRSKSA-N 2 1 339.483 3.406 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)C[C@H]2C1 ZINC001119988982 1371443428 /nfs/dbraw/zinc/44/34/28/1371443428.db2.gz MOWFPISXZTUUCL-BZUAXINKSA-N 2 1 330.501 3.096 20 0 EGADMP CC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CCCCC1 ZINC001119994003 1371447031 /nfs/dbraw/zinc/44/70/31/1371447031.db2.gz YOKYUSPPYLSZMB-SFHVURJKSA-N 2 1 331.504 3.108 20 0 EGADMP CC(C)CCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120010370 1371454345 /nfs/dbraw/zinc/45/43/45/1371454345.db2.gz OZXUNQKBYXZSEY-GOSISDBHSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ccccc2F)CCCCC1 ZINC001120046199 1371468182 /nfs/dbraw/zinc/46/81/82/1371468182.db2.gz QNSKTIZIICDTNM-UHFFFAOYSA-N 2 1 349.494 3.076 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120130068 1371491860 /nfs/dbraw/zinc/49/18/60/1371491860.db2.gz UECUIBDTMIERNO-ZWKOTPCHSA-N 2 1 337.552 3.029 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCC1([NH2+]CC2CC2)CCCCC1)c1ccccc1 ZINC001120212800 1371505922 /nfs/dbraw/zinc/50/59/22/1371505922.db2.gz BABZVNLWHHGNLY-IBGZPJMESA-N 2 1 343.515 3.108 20 0 EGADMP Cc1ccc(CCC[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)o1 ZINC001207943105 1371545204 /nfs/dbraw/zinc/54/52/04/1371545204.db2.gz BLNVENNKALDBFS-TZIWHRDSSA-N 2 1 346.515 3.201 20 0 EGADMP Cc1ccc(CCC[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)o1 ZINC001207943105 1371545207 /nfs/dbraw/zinc/54/52/07/1371545207.db2.gz BLNVENNKALDBFS-TZIWHRDSSA-N 2 1 346.515 3.201 20 0 EGADMP Cc1ccc(CCC[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)o1 ZINC001207943105 1371545209 /nfs/dbraw/zinc/54/52/09/1371545209.db2.gz BLNVENNKALDBFS-TZIWHRDSSA-N 2 1 346.515 3.201 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001120401495 1371562209 /nfs/dbraw/zinc/56/22/09/1371562209.db2.gz KEFMUECEGVJNOY-MSOLQXFVSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001120401495 1371562212 /nfs/dbraw/zinc/56/22/12/1371562212.db2.gz KEFMUECEGVJNOY-MSOLQXFVSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001120401495 1371562213 /nfs/dbraw/zinc/56/22/13/1371562213.db2.gz KEFMUECEGVJNOY-MSOLQXFVSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120423042 1371569979 /nfs/dbraw/zinc/56/99/79/1371569979.db2.gz RBPLNIQSYSSOPR-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430543 1371574509 /nfs/dbraw/zinc/57/45/09/1371574509.db2.gz LOWXWMHKKMEJMQ-SLVIYJBESA-N 2 1 349.563 3.388 20 0 EGADMP C[C@@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)[C@@H](C)CN1Cc1ccccc1 ZINC001208108056 1371597198 /nfs/dbraw/zinc/59/71/98/1371597198.db2.gz OPOLVCDCLBZJCK-MOPGFXCFSA-N 2 1 329.532 3.313 20 0 EGADMP CCOC(=O)C1([N@H+](Cc2ccccc2)CC2(C)CC[NH+](C)CC2)CC1 ZINC001208114837 1371599190 /nfs/dbraw/zinc/59/91/90/1371599190.db2.gz BSGSDXSTNNADTK-UHFFFAOYSA-N 2 1 344.499 3.316 20 0 EGADMP CCOC(=O)C1([N@@H+](Cc2ccccc2)CC2(C)CC[NH+](C)CC2)CC1 ZINC001208114837 1371599193 /nfs/dbraw/zinc/59/91/93/1371599193.db2.gz BSGSDXSTNNADTK-UHFFFAOYSA-N 2 1 344.499 3.316 20 0 EGADMP CC1=C[C@@H](C)[C@H](C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001208166755 1371615220 /nfs/dbraw/zinc/61/52/20/1371615220.db2.gz BZSBOBCRSXPUOU-MOPGFXCFSA-N 2 1 342.531 3.329 20 0 EGADMP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001326310785 1388149798 /nfs/dbraw/zinc/14/97/98/1388149798.db2.gz JYNKGAKFSRXWST-HNNXBMFYSA-N 2 1 347.528 3.201 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001208332090 1371721438 /nfs/dbraw/zinc/72/14/38/1371721438.db2.gz ZXKMPYNTXIGJSR-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001208332089 1371721496 /nfs/dbraw/zinc/72/14/96/1371721496.db2.gz ZXKMPYNTXIGJSR-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208334564 1371722413 /nfs/dbraw/zinc/72/24/13/1371722413.db2.gz JXIFYWSHLRKJMR-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001208447072 1371768911 /nfs/dbraw/zinc/76/89/11/1371768911.db2.gz HCQCPHWXACLTBH-MAUKXSAKSA-N 2 1 349.494 3.198 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001208454060 1371772348 /nfs/dbraw/zinc/77/23/48/1371772348.db2.gz RTDIGZCQFFZYTA-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001208474467 1371781145 /nfs/dbraw/zinc/78/11/45/1371781145.db2.gz LSSDINOXQJDXNQ-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208474734 1371781376 /nfs/dbraw/zinc/78/13/76/1371781376.db2.gz OXNITVMSEHHNHP-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208475855 1371781945 /nfs/dbraw/zinc/78/19/45/1371781945.db2.gz ZWEPPPYOYKFVTE-CQQBRXBZSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)[N@@H+](C)[C@@H]1CCN(C[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001208590036 1371831977 /nfs/dbraw/zinc/83/19/77/1371831977.db2.gz BPEZWZVZDTZJBE-NHCUHLMSSA-N 2 1 329.532 3.456 20 0 EGADMP CC(C)[NH+](C)[C@@H]1CCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001208590036 1371831980 /nfs/dbraw/zinc/83/19/80/1371831980.db2.gz BPEZWZVZDTZJBE-NHCUHLMSSA-N 2 1 329.532 3.456 20 0 EGADMP CC(C)[NH+](C)[C@@H]1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208590036 1371831986 /nfs/dbraw/zinc/83/19/86/1371831986.db2.gz BPEZWZVZDTZJBE-NHCUHLMSSA-N 2 1 329.532 3.456 20 0 EGADMP CC(C)[N@H+]1CCN(C[C@H]2CCCC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC001208593823 1371833076 /nfs/dbraw/zinc/83/30/76/1371833076.db2.gz JHQGXAGTBGEBLX-PZJWPPBQSA-N 2 1 329.532 3.456 20 0 EGADMP CC(C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C[C@@H]1C ZINC001208593823 1371833082 /nfs/dbraw/zinc/83/30/82/1371833082.db2.gz JHQGXAGTBGEBLX-PZJWPPBQSA-N 2 1 329.532 3.456 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2CCNC(=O)OC(C)(C)C)CC1 ZINC001208597045 1371834901 /nfs/dbraw/zinc/83/49/01/1371834901.db2.gz BEBWEHMCPJVBOI-KRWDZBQOSA-N 2 1 339.524 3.098 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208602515 1371836435 /nfs/dbraw/zinc/83/64/35/1371836435.db2.gz GMOBBDMWUSEOKG-OAQYLSRUSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](Oc3ccccc3OC)C2)CC1 ZINC001208600387 1371836491 /nfs/dbraw/zinc/83/64/91/1371836491.db2.gz QGRQVMIJNFQSFT-GOSISDBHSA-N 2 1 332.488 3.270 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C[C@@H]3CCC[NH+](C)C3)C[C@@H]21 ZINC001208605487 1371838466 /nfs/dbraw/zinc/83/84/66/1371838466.db2.gz AQUPNCFTIFXUJQ-MNAPGUCWSA-N 2 1 341.543 3.439 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2CN(C[C@@H]3CCC[N@H+](C)C3)C[C@@H]21 ZINC001208605487 1371838469 /nfs/dbraw/zinc/83/84/69/1371838469.db2.gz AQUPNCFTIFXUJQ-MNAPGUCWSA-N 2 1 341.543 3.439 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2CN(C[C@@H]3CCC[N@@H+](C)C3)C[C@@H]21 ZINC001208605487 1371838472 /nfs/dbraw/zinc/83/84/72/1371838472.db2.gz AQUPNCFTIFXUJQ-MNAPGUCWSA-N 2 1 341.543 3.439 20 0 EGADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001208617298 1371842791 /nfs/dbraw/zinc/84/27/91/1371842791.db2.gz MXBJZGWVRGDUJJ-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001208617298 1371842794 /nfs/dbraw/zinc/84/27/94/1371842794.db2.gz MXBJZGWVRGDUJJ-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001208617298 1371842799 /nfs/dbraw/zinc/84/27/99/1371842799.db2.gz MXBJZGWVRGDUJJ-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001208617298 1371842803 /nfs/dbraw/zinc/84/28/03/1371842803.db2.gz MXBJZGWVRGDUJJ-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)C1 ZINC001208619433 1371845125 /nfs/dbraw/zinc/84/51/25/1371845125.db2.gz XNKVEBYPIHKWIV-FJIDUMEYSA-N 2 1 336.520 3.303 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)C1 ZINC001208619433 1371845127 /nfs/dbraw/zinc/84/51/27/1371845127.db2.gz XNKVEBYPIHKWIV-FJIDUMEYSA-N 2 1 336.520 3.303 20 0 EGADMP C[NH+]1CCC[C@H](C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)C1 ZINC001208619433 1371845131 /nfs/dbraw/zinc/84/51/31/1371845131.db2.gz XNKVEBYPIHKWIV-FJIDUMEYSA-N 2 1 336.520 3.303 20 0 EGADMP C[NH+]1CCC[C@H](C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)C1 ZINC001208619433 1371845135 /nfs/dbraw/zinc/84/51/35/1371845135.db2.gz XNKVEBYPIHKWIV-FJIDUMEYSA-N 2 1 336.520 3.303 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001208732566 1371877718 /nfs/dbraw/zinc/87/77/18/1371877718.db2.gz HIUWOOJVVFXMLX-AABGKKOBSA-N 2 1 332.536 3.493 20 0 EGADMP CC(C)CCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001208732566 1371877725 /nfs/dbraw/zinc/87/77/25/1371877725.db2.gz HIUWOOJVVFXMLX-AABGKKOBSA-N 2 1 332.536 3.493 20 0 EGADMP CC(C)CCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001208732566 1371877728 /nfs/dbraw/zinc/87/77/28/1371877728.db2.gz HIUWOOJVVFXMLX-AABGKKOBSA-N 2 1 332.536 3.493 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC[C@@H]([NH2+]CCC2CC2)C1)C1CCCCC1 ZINC001208757609 1371885523 /nfs/dbraw/zinc/88/55/23/1371885523.db2.gz FMSMEFOMUBPZLG-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP COCC[N@@H+](CCCCCOCc1ccccc1)C1CCN(C)CC1 ZINC001208813598 1371903600 /nfs/dbraw/zinc/90/36/00/1371903600.db2.gz NECHNFUUCDOURX-UHFFFAOYSA-N 2 1 348.531 3.416 20 0 EGADMP CCOC(=O)c1ccc(CCC[NH+]2CCC([N@H+](C)CC)CC2)cc1 ZINC001208868163 1371925545 /nfs/dbraw/zinc/92/55/45/1371925545.db2.gz ZJPZXPUNXDMQMZ-UHFFFAOYSA-N 2 1 332.488 3.212 20 0 EGADMP CCOC(=O)c1ccc(CCC[NH+]2CCC([N@@H+](C)CC)CC2)cc1 ZINC001208868163 1371925549 /nfs/dbraw/zinc/92/55/49/1371925549.db2.gz ZJPZXPUNXDMQMZ-UHFFFAOYSA-N 2 1 332.488 3.212 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001121294972 1371926277 /nfs/dbraw/zinc/92/62/77/1371926277.db2.gz KBZDMEROIQGAGS-CGAYHSHTSA-N 2 1 349.563 3.170 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+]CC1CCCCC1)C2 ZINC001121318334 1371934764 /nfs/dbraw/zinc/93/47/64/1371934764.db2.gz FNPJXTWVIFAADP-UHFFFAOYSA-N 2 1 349.563 3.314 20 0 EGADMP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001121326126 1371937455 /nfs/dbraw/zinc/93/74/55/1371937455.db2.gz VVPVUHALNMQKSE-UHFFFAOYSA-N 2 1 337.552 3.170 20 0 EGADMP C[C@]1(CO)CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208933023 1371951718 /nfs/dbraw/zinc/95/17/18/1371951718.db2.gz SRXUHLXMOVCKGO-RTWAWAEBSA-N 2 1 330.516 3.383 20 0 EGADMP C[C@]1(CO)CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208933023 1371951721 /nfs/dbraw/zinc/95/17/21/1371951721.db2.gz SRXUHLXMOVCKGO-RTWAWAEBSA-N 2 1 330.516 3.383 20 0 EGADMP C[C@]1(CO)CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208933023 1371951726 /nfs/dbraw/zinc/95/17/26/1371951726.db2.gz SRXUHLXMOVCKGO-RTWAWAEBSA-N 2 1 330.516 3.383 20 0 EGADMP COC(=O)CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208933751 1371952065 /nfs/dbraw/zinc/95/20/65/1371952065.db2.gz GOQMQCYFIIILJR-HXUWFJFHSA-N 2 1 344.499 3.174 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN3CCC[C@@H]3C[NH+]3CCCC3)C2)cc1 ZINC001208950105 1371959982 /nfs/dbraw/zinc/95/99/82/1371959982.db2.gz PSGQATOHADXUTH-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP F[C@@H]1COC2(C1)CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208952977 1371961123 /nfs/dbraw/zinc/96/11/23/1371961123.db2.gz NBLOXYPGPLVBIA-MOPGFXCFSA-N 2 1 332.463 3.102 20 0 EGADMP C[N@@H+](C1CC1)C1CCN(C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208959667 1371962963 /nfs/dbraw/zinc/96/29/63/1371962963.db2.gz SUEXEBDGWQJTHA-LJQANCHMSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+](C1CC1)C1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208959667 1371962968 /nfs/dbraw/zinc/96/29/68/1371962968.db2.gz SUEXEBDGWQJTHA-LJQANCHMSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+](C1CC1)C1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208959667 1371962971 /nfs/dbraw/zinc/96/29/71/1371962971.db2.gz SUEXEBDGWQJTHA-LJQANCHMSA-N 2 1 327.516 3.067 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC001209146601 1372014047 /nfs/dbraw/zinc/01/40/47/1372014047.db2.gz FRFFTAOJYVAMNQ-UHFFFAOYSA-N 2 1 337.467 3.106 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209166754 1372020489 /nfs/dbraw/zinc/02/04/89/1372020489.db2.gz MIVDAFZZRHLJMJ-SJLPKXTDSA-N 2 1 348.535 3.269 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209166754 1372020492 /nfs/dbraw/zinc/02/04/92/1372020492.db2.gz MIVDAFZZRHLJMJ-SJLPKXTDSA-N 2 1 348.535 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001209206184 1372038864 /nfs/dbraw/zinc/03/88/64/1372038864.db2.gz YUTDQOKCTMQIJO-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP COCCCC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001209215311 1372040274 /nfs/dbraw/zinc/04/02/74/1372040274.db2.gz KQDWBHRJTFTGIS-HXUWFJFHSA-N 2 1 346.515 3.169 20 0 EGADMP c1ccc(C[NH+]2CC3(C2)CC[NH+](CCC[NH+]2CCCCC2)CC3)cc1 ZINC001209450383 1372109271 /nfs/dbraw/zinc/10/92/71/1372109271.db2.gz ICCHOUUSZCQIRL-UHFFFAOYSA-N 3 1 341.543 3.460 20 0 EGADMP CC(C)[N@H+](CCC[NH+]1CCCCC1)CCNC(=O)OC(C)(C)C ZINC001209451031 1372109332 /nfs/dbraw/zinc/10/93/32/1372109332.db2.gz QXFWRXSXOGCCHN-UHFFFAOYSA-N 2 1 327.513 3.098 20 0 EGADMP CC(C)[N@@H+](CCC[NH+]1CCCCC1)CCNC(=O)OC(C)(C)C ZINC001209451031 1372109335 /nfs/dbraw/zinc/10/93/35/1372109335.db2.gz QXFWRXSXOGCCHN-UHFFFAOYSA-N 2 1 327.513 3.098 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCN(CCC[NH+]4CCCCC4)[C@@H]3C2)cc1 ZINC001209453711 1372110146 /nfs/dbraw/zinc/11/01/46/1372110146.db2.gz KNAWFMVTULEBIR-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP CC[N@H+](CCC[NH+]1CCCCC1)CCN(C)C(=O)OC(C)(C)C ZINC001209452435 1372110788 /nfs/dbraw/zinc/11/07/88/1372110788.db2.gz PDGMREOJPPIYJY-UHFFFAOYSA-N 2 1 327.513 3.051 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCCCC1)CCN(C)C(=O)OC(C)(C)C ZINC001209452435 1372110789 /nfs/dbraw/zinc/11/07/89/1372110789.db2.gz PDGMREOJPPIYJY-UHFFFAOYSA-N 2 1 327.513 3.051 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2nn(C)c3ccccc23)CC1 ZINC001209580332 1372142706 /nfs/dbraw/zinc/14/27/06/1372142706.db2.gz QWBKGLXVTORADA-UHFFFAOYSA-N 2 1 335.455 3.016 20 0 EGADMP Cc1[nH]c2ncccc2c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209588784 1372144768 /nfs/dbraw/zinc/14/47/68/1372144768.db2.gz SUAGSSCLJYYHHX-KDURUIRLSA-N 2 1 346.478 3.435 20 0 EGADMP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)CCC)C2)C1 ZINC001122100922 1372174138 /nfs/dbraw/zinc/17/41/38/1372174138.db2.gz GIKFHZJPVKURBT-SREVYHEPSA-N 2 1 335.536 3.092 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209931244 1372234338 /nfs/dbraw/zinc/23/43/38/1372234338.db2.gz JBFOMZHFQVQKRT-SFHVURJKSA-N 2 1 348.535 3.413 20 0 EGADMP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001210183746 1372290822 /nfs/dbraw/zinc/29/08/22/1372290822.db2.gz ROUDMNYDWIMEPN-FNQPIQQGSA-N 2 1 337.552 3.435 20 0 EGADMP Clc1ccc2ccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)nc2c1 ZINC001210261992 1372308297 /nfs/dbraw/zinc/30/82/97/1372308297.db2.gz MLGYQDNEFJLWGR-UHFFFAOYSA-N 2 1 339.830 3.436 20 0 EGADMP Cc1cnn(-c2ccc(C)cc2)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210264532 1372309935 /nfs/dbraw/zinc/30/99/35/1372309935.db2.gz SEFZDXUMPKRQFI-UHFFFAOYSA-N 2 1 348.454 3.037 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210411573 1372345494 /nfs/dbraw/zinc/34/54/94/1372345494.db2.gz HRIKANGSKYXINM-JTDSTZFVSA-N 2 1 349.494 3.055 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1)c1ccccc1 ZINC001210492898 1372366185 /nfs/dbraw/zinc/36/61/85/1372366185.db2.gz FPUNUAXHTBUIQH-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001187971642 1388201706 /nfs/dbraw/zinc/20/17/06/1388201706.db2.gz VDFASCYGUMDXHD-OKZBNKHCSA-N 2 1 346.519 3.120 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001187971642 1388201709 /nfs/dbraw/zinc/20/17/09/1388201709.db2.gz VDFASCYGUMDXHD-OKZBNKHCSA-N 2 1 346.519 3.120 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094514 1372484544 /nfs/dbraw/zinc/48/45/44/1372484544.db2.gz CVLLXUKEKNQSFF-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP CCOc1cccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1 ZINC001212145135 1372664278 /nfs/dbraw/zinc/66/42/78/1372664278.db2.gz LXHCIDKYLDHHAM-INIZCTEOSA-N 2 1 332.448 3.303 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001127065896 1373078954 /nfs/dbraw/zinc/07/89/54/1373078954.db2.gz GUULPZYZWTYCIY-YLJYHZDGSA-N 2 1 345.531 3.450 20 0 EGADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326583407 1388247628 /nfs/dbraw/zinc/24/76/28/1388247628.db2.gz ISHBOSYVOJCQEF-CQSZACIVSA-N 2 1 335.879 3.133 20 0 EGADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C)c1ccccc1 ZINC001215568979 1373213673 /nfs/dbraw/zinc/21/36/73/1373213673.db2.gz UCYXYQPVJMPYSZ-ZIFCJYIRSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001188145395 1388250020 /nfs/dbraw/zinc/25/00/20/1388250020.db2.gz DXDRLKPVTYLKKF-LJQANCHMSA-N 2 1 345.531 3.015 20 0 EGADMP C[NH2+]Cc1cccc(Nc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1F ZINC001216222461 1373284879 /nfs/dbraw/zinc/28/48/79/1373284879.db2.gz FHVFFTLKLBQWLH-UHFFFAOYSA-N 2 1 346.425 3.180 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001128743345 1373307554 /nfs/dbraw/zinc/30/75/54/1373307554.db2.gz BZWXMSGWJPDJOG-RBUKOAKNSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001216490613 1373311854 /nfs/dbraw/zinc/31/18/54/1373311854.db2.gz GRQCAERAMSTKSO-JTDSTZFVSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001216852211 1373351502 /nfs/dbraw/zinc/35/15/02/1373351502.db2.gz RZMUCQBKEVGZDK-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CCC[NH2+][C@@H]1c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217702617 1373491018 /nfs/dbraw/zinc/49/10/18/1373491018.db2.gz MBHVPVWBDKJXGS-PVAVHDDUSA-N 2 1 326.444 3.120 20 0 EGADMP C[C@@H]1CCC[NH2+][C@@H]1c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217702617 1373491020 /nfs/dbraw/zinc/49/10/20/1373491020.db2.gz MBHVPVWBDKJXGS-PVAVHDDUSA-N 2 1 326.444 3.120 20 0 EGADMP C[NH2+][C@H](c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1)C(C)(C)C ZINC001217737194 1373497099 /nfs/dbraw/zinc/49/70/99/1373497099.db2.gz UPKOJODOYUMZKX-HZPDHXFCSA-N 2 1 328.460 3.366 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CO[C@@H]3CCC[C@@]34CC[NH2+]C4)C2)cc1 ZINC001217803134 1373502071 /nfs/dbraw/zinc/50/20/71/1373502071.db2.gz PNRIDVGEHOMYEA-HBMCJLEFSA-N 2 1 328.500 3.447 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ccc(C(=O)C[NH3+])cc1 ZINC001217968441 1373521715 /nfs/dbraw/zinc/52/17/15/1373521715.db2.gz YGYZUAKVJYNWPQ-HRAATJIYSA-N 2 1 338.451 3.117 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ccc(C(=O)C[NH3+])cc1 ZINC001217968441 1373521716 /nfs/dbraw/zinc/52/17/16/1373521716.db2.gz YGYZUAKVJYNWPQ-HRAATJIYSA-N 2 1 338.451 3.117 20 0 EGADMP C[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001217990424 1373528200 /nfs/dbraw/zinc/52/82/00/1373528200.db2.gz TZSATDXGMDTDFB-WBMJQRKESA-N 2 1 341.293 3.278 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)c1ccc(F)cc1 ZINC001130622666 1373571811 /nfs/dbraw/zinc/57/18/11/1373571811.db2.gz TZWXIEXKSXWQBW-OAHLLOKOSA-N 2 1 349.494 3.246 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218334737 1373598882 /nfs/dbraw/zinc/59/88/82/1373598882.db2.gz FSDVYHLESLUSLS-OXQOHEQNSA-N 2 1 337.467 3.017 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001221920450 1373804120 /nfs/dbraw/zinc/80/41/20/1373804120.db2.gz GDXVAALNPINDOY-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001221920450 1373804122 /nfs/dbraw/zinc/80/41/22/1373804122.db2.gz GDXVAALNPINDOY-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001221920450 1373804124 /nfs/dbraw/zinc/80/41/24/1373804124.db2.gz GDXVAALNPINDOY-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222092298 1373816391 /nfs/dbraw/zinc/81/63/91/1373816391.db2.gz NJWRTLQUWJUMNJ-FQEVSTJZSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222092298 1373816395 /nfs/dbraw/zinc/81/63/95/1373816395.db2.gz NJWRTLQUWJUMNJ-FQEVSTJZSA-N 2 1 345.531 3.135 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815522 1373819249 /nfs/dbraw/zinc/81/92/49/1373819249.db2.gz HOWZNJWNTWEJMY-GOSISDBHSA-N 2 1 345.531 3.416 20 0 EGADMP COC(=O)Cc1cccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222172766 1373819337 /nfs/dbraw/zinc/81/93/37/1373819337.db2.gz NWDRZQWRVIFHRB-OAQYLSRUSA-N 2 1 344.499 3.148 20 0 EGADMP Cc1cc(C)cc(C[NH2+]CCNC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC001131815732 1373819487 /nfs/dbraw/zinc/81/94/87/1373819487.db2.gz RCSQJWRQMPQFGL-UHFFFAOYSA-N 2 1 345.531 3.164 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001223962508 1375049865 /nfs/dbraw/zinc/04/98/65/1375049865.db2.gz RIVNZHLISWRLRC-KGMDJONISA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]21 ZINC001223962508 1375049869 /nfs/dbraw/zinc/04/98/69/1375049869.db2.gz RIVNZHLISWRLRC-KGMDJONISA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]21 ZINC001223962508 1375049872 /nfs/dbraw/zinc/04/98/72/1375049872.db2.gz RIVNZHLISWRLRC-KGMDJONISA-N 2 1 349.563 3.388 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1CC[NH+](CCCC2CCCC2)CC1 ZINC001225087532 1375092172 /nfs/dbraw/zinc/09/21/72/1375092172.db2.gz HPUZMKBJPNJFCN-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001225087544 1375092214 /nfs/dbraw/zinc/09/22/14/1375092214.db2.gz HYIBMDLNQYAKTB-SFHVURJKSA-N 2 1 345.531 3.226 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](CCCC(C)C)C1 ZINC001132154277 1375174382 /nfs/dbraw/zinc/17/43/82/1375174382.db2.gz YCMLXOWMQWSOMZ-IAGOWNOFSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCC(C)C)C1 ZINC001132154277 1375174385 /nfs/dbraw/zinc/17/43/85/1375174385.db2.gz YCMLXOWMQWSOMZ-IAGOWNOFSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC(C)C)C1 ZINC001132154277 1375174386 /nfs/dbraw/zinc/17/43/86/1375174386.db2.gz YCMLXOWMQWSOMZ-IAGOWNOFSA-N 2 1 325.541 3.122 20 0 EGADMP CC(C)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132207223 1375208778 /nfs/dbraw/zinc/20/87/78/1375208778.db2.gz RJWJWKCCNLVBBS-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132207223 1375208783 /nfs/dbraw/zinc/20/87/83/1375208783.db2.gz RJWJWKCCNLVBBS-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132207223 1375208790 /nfs/dbraw/zinc/20/87/90/1375208790.db2.gz RJWJWKCCNLVBBS-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@H+]1CCC1CC1 ZINC001132212134 1375212702 /nfs/dbraw/zinc/21/27/02/1375212702.db2.gz UEWKIVHWRCRQAT-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132212365 1375212954 /nfs/dbraw/zinc/21/29/54/1375212954.db2.gz XFJDQYQDOQBGAG-ZWKOTPCHSA-N 2 1 337.552 3.410 20 0 EGADMP Cc1cc(C)c(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)c(C)c1 ZINC001132266453 1375255216 /nfs/dbraw/zinc/25/52/16/1375255216.db2.gz XHQPVPBHAQTGPW-MOPGFXCFSA-N 2 1 345.531 3.033 20 0 EGADMP CCCc1ccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)cc1 ZINC001132273148 1375258636 /nfs/dbraw/zinc/25/86/36/1375258636.db2.gz DLKSZKJRGNWTPR-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001226613518 1375292133 /nfs/dbraw/zinc/29/21/33/1375292133.db2.gz JTOMTKXXLYJTPL-UWCDRFHNSA-N 2 1 335.536 3.234 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132340275 1375319817 /nfs/dbraw/zinc/31/98/17/1375319817.db2.gz PLEJRQRZOGMZFE-YKMDAGRBSA-N 2 1 349.563 3.434 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCC(C)C)C1 ZINC001132366279 1375332114 /nfs/dbraw/zinc/33/21/14/1375332114.db2.gz ZPYVTSPCFJWEMU-IEBWSBKVSA-N 2 1 348.535 3.377 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC(C)C)C1 ZINC001132366279 1375332118 /nfs/dbraw/zinc/33/21/18/1375332118.db2.gz ZPYVTSPCFJWEMU-IEBWSBKVSA-N 2 1 348.535 3.377 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001226889688 1375352908 /nfs/dbraw/zinc/35/29/08/1375352908.db2.gz AHNLFLSDGVORQT-XUVXKRRUSA-N 2 1 349.563 3.458 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001132409556 1375359184 /nfs/dbraw/zinc/35/91/84/1375359184.db2.gz AWFRNRFGEDKZPA-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132409556 1375359187 /nfs/dbraw/zinc/35/91/87/1375359187.db2.gz AWFRNRFGEDKZPA-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132409556 1375359194 /nfs/dbraw/zinc/35/91/94/1375359194.db2.gz AWFRNRFGEDKZPA-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CC2)C1 ZINC001132420282 1375369475 /nfs/dbraw/zinc/36/94/75/1375369475.db2.gz PZJIRFJQJYPKMV-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001132425989 1375373669 /nfs/dbraw/zinc/37/36/69/1375373669.db2.gz QHURUDWWYCECAZ-IAGOWNOFSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001132425989 1375373672 /nfs/dbraw/zinc/37/36/72/1375373672.db2.gz QHURUDWWYCECAZ-IAGOWNOFSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1Cc1ccccc1F ZINC001132432056 1375377579 /nfs/dbraw/zinc/37/75/79/1375377579.db2.gz AXKDPMOEPSOMQT-FUHWJXTLSA-N 2 1 349.494 3.027 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132435389 1375379230 /nfs/dbraw/zinc/37/92/30/1375379230.db2.gz CMMKLVFLMPGKER-TYFAACHXSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001132435389 1375379235 /nfs/dbraw/zinc/37/92/35/1375379235.db2.gz CMMKLVFLMPGKER-TYFAACHXSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132435389 1375379242 /nfs/dbraw/zinc/37/92/42/1375379242.db2.gz CMMKLVFLMPGKER-TYFAACHXSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132435391 1375380143 /nfs/dbraw/zinc/38/01/43/1375380143.db2.gz CMMKLVFLMPGKER-WARJXXDVSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001132435391 1375380151 /nfs/dbraw/zinc/38/01/51/1375380151.db2.gz CMMKLVFLMPGKER-WARJXXDVSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132435391 1375380154 /nfs/dbraw/zinc/38/01/54/1375380154.db2.gz CMMKLVFLMPGKER-WARJXXDVSA-N 2 1 337.552 3.434 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC(CC)CC)C1 ZINC001132436344 1375380954 /nfs/dbraw/zinc/38/09/54/1375380954.db2.gz KRCBLIKEGNWEOE-SJLPKXTDSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(CC)CC)C1 ZINC001132436344 1375380956 /nfs/dbraw/zinc/38/09/56/1375380956.db2.gz KRCBLIKEGNWEOE-SJLPKXTDSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(CC)CC)C1 ZINC001132436344 1375380960 /nfs/dbraw/zinc/38/09/60/1375380960.db2.gz KRCBLIKEGNWEOE-SJLPKXTDSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132441268 1375384457 /nfs/dbraw/zinc/38/44/57/1375384457.db2.gz MSMOSLKWXBPJJW-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001132441268 1375384463 /nfs/dbraw/zinc/38/44/63/1375384463.db2.gz MSMOSLKWXBPJJW-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001132441268 1375384470 /nfs/dbraw/zinc/38/44/70/1375384470.db2.gz MSMOSLKWXBPJJW-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC001227166927 1375400866 /nfs/dbraw/zinc/40/08/66/1375400866.db2.gz WPGTZRVQNGISIV-BRWVUGGUSA-N 2 1 346.519 3.030 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1CC[NH+](CCC(C)C)CC1 ZINC001227464617 1375433501 /nfs/dbraw/zinc/43/35/01/1375433501.db2.gz OBEZRILGKTULPC-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132518131 1375435526 /nfs/dbraw/zinc/43/55/26/1375435526.db2.gz IWGPDEBYSKICDG-IEBWSBKVSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001132518131 1375435530 /nfs/dbraw/zinc/43/55/30/1375435530.db2.gz IWGPDEBYSKICDG-IEBWSBKVSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001132518131 1375435532 /nfs/dbraw/zinc/43/55/32/1375435532.db2.gz IWGPDEBYSKICDG-IEBWSBKVSA-N 2 1 349.563 3.266 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]2C)c(C)c1 ZINC001132518978 1375436725 /nfs/dbraw/zinc/43/67/25/1375436725.db2.gz QSWPUEULKUYPEX-QUCCMNQESA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)c(C)c1 ZINC001132518978 1375436730 /nfs/dbraw/zinc/43/67/30/1375436730.db2.gz QSWPUEULKUYPEX-QUCCMNQESA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)c(C)c1 ZINC001132518978 1375436731 /nfs/dbraw/zinc/43/67/31/1375436731.db2.gz QSWPUEULKUYPEX-QUCCMNQESA-N 2 1 345.531 3.113 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CCCC1CCC1 ZINC001132518757 1375437121 /nfs/dbraw/zinc/43/71/21/1375437121.db2.gz NTMDIMLAZMCVLZ-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CCCC1CCC1 ZINC001132525753 1375441923 /nfs/dbraw/zinc/44/19/23/1375441923.db2.gz VBBOMWBROLJFHI-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132526102 1375442511 /nfs/dbraw/zinc/44/25/11/1375442511.db2.gz YGPDSKQUAIZBBM-WWAPKCSDSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)CC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548807 1375455205 /nfs/dbraw/zinc/45/52/05/1375455205.db2.gz JGSPYFHJPXCQMS-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1)C1CCCCC1 ZINC001227734917 1375467975 /nfs/dbraw/zinc/46/79/75/1375467975.db2.gz UPMUPQFSIDWLHS-RTBURBONSA-N 2 1 335.536 3.068 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001228646649 1375626204 /nfs/dbraw/zinc/62/62/04/1375626204.db2.gz JFSYCEFARILQSD-QZTJIDSGSA-N 2 1 339.568 3.418 20 0 EGADMP CCCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001327141409 1388398579 /nfs/dbraw/zinc/39/85/79/1388398579.db2.gz DMBSCDSLGHXVRQ-SFHVURJKSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001327141409 1388398583 /nfs/dbraw/zinc/39/85/83/1388398583.db2.gz DMBSCDSLGHXVRQ-SFHVURJKSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001327141409 1388398586 /nfs/dbraw/zinc/39/85/86/1388398586.db2.gz DMBSCDSLGHXVRQ-SFHVURJKSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001133165560 1375819707 /nfs/dbraw/zinc/81/97/07/1375819707.db2.gz JGXNVQLESDTHKT-IEBWSBKVSA-N 2 1 348.535 3.236 20 0 EGADMP CCC/C=C/CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001229544986 1375853284 /nfs/dbraw/zinc/85/32/84/1375853284.db2.gz OYOBPQRZMPZRIQ-UHDDOPSISA-N 2 1 347.547 3.330 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001229837707 1375900904 /nfs/dbraw/zinc/90/09/04/1375900904.db2.gz OGIYAKVRPZUIFZ-RTBURBONSA-N 2 1 337.552 3.316 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CCC ZINC001229852716 1375904562 /nfs/dbraw/zinc/90/45/62/1375904562.db2.gz KHSOAQCNCJTYBH-JNVNVXKGSA-N 2 1 337.552 3.482 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C ZINC001229868151 1375909096 /nfs/dbraw/zinc/90/90/96/1375909096.db2.gz ALVCHLRTKVTYSW-IAGOWNOFSA-N 2 1 325.541 3.172 20 0 EGADMP CCCCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001229984826 1375924977 /nfs/dbraw/zinc/92/49/77/1375924977.db2.gz BVPAQXDFJQWLDL-IBGZPJMESA-N 2 1 337.552 3.412 20 0 EGADMP CCc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001230280505 1375981642 /nfs/dbraw/zinc/98/16/42/1375981642.db2.gz ZOVPQBNNYFKJSU-WOJBJXKFSA-N 2 1 345.531 3.106 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCn2ccnc2)CC1 ZINC001230581200 1376084586 /nfs/dbraw/zinc/08/45/86/1376084586.db2.gz WNKKKUMRBOCMCI-IBGZPJMESA-N 2 1 346.519 3.166 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@H+]2CCC2CCCC2)CC1 ZINC001230598050 1376092373 /nfs/dbraw/zinc/09/23/73/1376092373.db2.gz CZRQXMUYNRWCDR-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001230611373 1376101439 /nfs/dbraw/zinc/10/14/39/1376101439.db2.gz RSOLGECKZIZMTI-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001230611373 1376101445 /nfs/dbraw/zinc/10/14/45/1376101445.db2.gz RSOLGECKZIZMTI-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001133823583 1376219912 /nfs/dbraw/zinc/21/99/12/1376219912.db2.gz JUDHTYYUCXFNIK-WWDZGPRUSA-N 2 1 337.552 3.029 20 0 EGADMP CC[C@@H]([NH2+]CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC001133856930 1376235370 /nfs/dbraw/zinc/23/53/70/1376235370.db2.gz WCVZCKCNCMGWGK-XLIONFOSSA-N 2 1 349.494 3.056 20 0 EGADMP Fc1ccc(C[N@H+]2CCCN(Cc3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC001232015132 1376383964 /nfs/dbraw/zinc/38/39/64/1376383964.db2.gz BRJZACQCSJBCFV-UHFFFAOYSA-N 2 1 338.430 3.410 20 0 EGADMP Fc1ccc(CN2CCC[N@H+](Cc3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC001232015132 1376383969 /nfs/dbraw/zinc/38/39/69/1376383969.db2.gz BRJZACQCSJBCFV-UHFFFAOYSA-N 2 1 338.430 3.410 20 0 EGADMP Fc1ccc(CN2CCC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC001232015132 1376383975 /nfs/dbraw/zinc/38/39/75/1376383975.db2.gz BRJZACQCSJBCFV-UHFFFAOYSA-N 2 1 338.430 3.410 20 0 EGADMP COc1cc(O)cc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001232805112 1376518052 /nfs/dbraw/zinc/51/80/52/1376518052.db2.gz UQYFKBTTYXWPFA-SFHVURJKSA-N 2 1 340.467 3.355 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH2+]C/C=C/c1ccccc1 ZINC001134607738 1376622348 /nfs/dbraw/zinc/62/23/48/1376622348.db2.gz KUDHBXXHRVVLLO-RWTNSZMUSA-N 2 1 343.515 3.057 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(CF)cc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608637 1376623464 /nfs/dbraw/zinc/62/34/64/1376623464.db2.gz YEHCMWRZHXEJPP-HZPDHXFCSA-N 2 1 349.494 3.013 20 0 EGADMP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)c(C)c1 ZINC001134612171 1376624014 /nfs/dbraw/zinc/62/40/14/1376624014.db2.gz IUVZKEOBVBGJRW-QZTJIDSGSA-N 2 1 345.531 3.161 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21)[NH+](CC)CC ZINC001189109995 1388459841 /nfs/dbraw/zinc/45/98/41/1388459841.db2.gz IJFYZFGHCJNIRD-SLFFLAALSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccccc1C1CC1 ZINC001134765960 1376709265 /nfs/dbraw/zinc/70/92/65/1376709265.db2.gz AYWLMICJZYZDBZ-HXUWFJFHSA-N 2 1 343.515 3.033 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001134774527 1376713580 /nfs/dbraw/zinc/71/35/80/1376713580.db2.gz ZAFYDDZULGEKLB-DHSZYQGYSA-N 2 1 345.531 3.303 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]21)[NH+](CC)CC ZINC001189111158 1388461066 /nfs/dbraw/zinc/46/10/66/1388461066.db2.gz WKZGBZNPEPAYHI-GBESFXJTSA-N 2 1 349.563 3.076 20 0 EGADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](CCc1cccs1)CC2 ZINC001235016678 1376827869 /nfs/dbraw/zinc/82/78/69/1376827869.db2.gz ALVUIXAEGCCCOX-UHFFFAOYSA-N 2 1 342.508 3.436 20 0 EGADMP Clc1ccc(CCC[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1Cl ZINC001235036302 1376835318 /nfs/dbraw/zinc/83/53/18/1376835318.db2.gz LKDKLWITQJFQDT-RHSMWYFYSA-N 2 1 343.298 3.236 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020076 1376850349 /nfs/dbraw/zinc/85/03/49/1376850349.db2.gz DPHCWOZHHYYMCN-JKSUJKDBSA-N 2 1 348.535 3.071 20 0 EGADMP CC(C)CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135021717 1376852471 /nfs/dbraw/zinc/85/24/71/1376852471.db2.gz SCDHYQIHOBVINA-IAGOWNOFSA-N 2 1 348.535 3.071 20 0 EGADMP CC1(N2CC[NH+](Cc3cccc4[nH]cc(Cl)c43)CC2)CC[NH2+]CC1 ZINC001235816668 1376898935 /nfs/dbraw/zinc/89/89/35/1376898935.db2.gz VYFMVEOQPYJJKE-UHFFFAOYSA-N 2 1 346.906 3.081 20 0 EGADMP [NH3+]C1CN([C@H]2CCC[N@@H+](Cc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC001236074505 1376931511 /nfs/dbraw/zinc/93/15/11/1376931511.db2.gz ZEKIKERNJMLTCS-IBGZPJMESA-N 2 1 337.467 3.086 20 0 EGADMP [NH3+]C1CN([C@H]2CCC[N@@H+](Cc3ccc(F)c(-c4ccccc4)c3)C2)C1 ZINC001236076599 1376932540 /nfs/dbraw/zinc/93/25/40/1376932540.db2.gz CBYDSQQSLBYDPQ-IBGZPJMESA-N 2 1 339.458 3.100 20 0 EGADMP CCC[N@@H+](Cc1cc(OCc2ccccc2)ccn1)C[C@@H]1CC[NH2+]C1 ZINC001236843263 1376966694 /nfs/dbraw/zinc/96/66/94/1376966694.db2.gz MJHFZOSYSQUXBI-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP CCC[N@H+](Cc1cc(OCc2ccccc2)ccn1)C[C@@H]1CC[NH2+]C1 ZINC001236843263 1376966696 /nfs/dbraw/zinc/96/66/96/1376966696.db2.gz MJHFZOSYSQUXBI-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP CC[C@@H](C(=O)N(C)CCC[N@@H+](C)[C@H](C)c1ccccc1F)[NH+](C)C ZINC001327263954 1388472639 /nfs/dbraw/zinc/47/26/39/1388472639.db2.gz IILUTAJTYCPPFS-QAPCUYQASA-N 2 1 337.483 3.007 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C[C@H](c2ccc(Cl)cc2Cl)N(C)C)CC[NH2+]1 ZINC001246297709 1377050917 /nfs/dbraw/zinc/05/09/17/1377050917.db2.gz XJVKNASUZJJTKD-DETPVDSQSA-N 2 1 330.303 3.326 20 0 EGADMP c1ccc([C@@H]2CO[C@]3(C2)CCC[N@H+](C2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)cc1 ZINC001246714773 1377053483 /nfs/dbraw/zinc/05/34/83/1377053483.db2.gz NFTGDGNJOFWJSP-JKMPKNINSA-N 2 1 326.484 3.308 20 0 EGADMP CC(C)CN1c2ccccc2[C@@H]2C[N@@H+]([C@@H]3CC[NH2+][C@H](C)C3)CC[C@@H]21 ZINC001246761301 1377053966 /nfs/dbraw/zinc/05/39/66/1377053966.db2.gz AHQMZEYXSPNDTB-REHHDOPLSA-N 2 1 327.516 3.461 20 0 EGADMP Cc1ccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c(F)c1 ZINC001247908631 1377065282 /nfs/dbraw/zinc/06/52/82/1377065282.db2.gz VAQBVQMLZGKGJI-UHFFFAOYSA-N 2 1 344.434 3.116 20 0 EGADMP Cc1ccc(F)cc1-c1noc([C@@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)n1 ZINC001247907818 1377065316 /nfs/dbraw/zinc/06/53/16/1377065316.db2.gz WHGQYYRYYYCWHU-CQSZACIVSA-N 2 1 344.434 3.116 20 0 EGADMP CC[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1ccc(Br)cc1 ZINC001253409108 1377097494 /nfs/dbraw/zinc/09/74/94/1377097494.db2.gz NJZVMTHCFDPYAJ-LSDHHAIUSA-N 2 1 343.309 3.239 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+][C@H](CC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001254509470 1377104964 /nfs/dbraw/zinc/10/49/64/1377104964.db2.gz OHPNOWZQIVEODE-OALUTQOASA-N 2 1 346.515 3.403 20 0 EGADMP Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1CCC[N@H+](C)CC1 ZINC001254528154 1377106469 /nfs/dbraw/zinc/10/64/69/1377106469.db2.gz CMMJOVIAAQGERR-AKHDSKFASA-N 2 1 345.535 3.362 20 0 EGADMP Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1CCC[N@@H+](C)CC1 ZINC001254528154 1377106471 /nfs/dbraw/zinc/10/64/71/1377106471.db2.gz CMMJOVIAAQGERR-AKHDSKFASA-N 2 1 345.535 3.362 20 0 EGADMP CC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[NH+](C)CC1 ZINC001254529240 1377107218 /nfs/dbraw/zinc/10/72/18/1377107218.db2.gz FKVGWRMHKJJEDM-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254529240 1377107221 /nfs/dbraw/zinc/10/72/21/1377107221.db2.gz FKVGWRMHKJJEDM-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254529240 1377107223 /nfs/dbraw/zinc/10/72/23/1377107223.db2.gz FKVGWRMHKJJEDM-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477183 1377110792 /nfs/dbraw/zinc/11/07/92/1377110792.db2.gz SBYDQLXQKYSEAF-DLBZAZTESA-N 2 1 337.552 3.172 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135477248 1377111671 /nfs/dbraw/zinc/11/16/71/1377111671.db2.gz UANKSIGBSOOEJW-HOTGVXAUSA-N 2 1 327.557 3.273 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCCC1 ZINC001135678224 1377181403 /nfs/dbraw/zinc/18/14/03/1377181403.db2.gz DDTAEPJSLODXFT-HZPDHXFCSA-N 2 1 334.508 3.035 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CCCC1 ZINC001135679568 1377181793 /nfs/dbraw/zinc/18/17/93/1377181793.db2.gz NQOUUZNHBNZLLE-IRXDYDNUSA-N 2 1 348.535 3.425 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC1 ZINC001135691631 1377185513 /nfs/dbraw/zinc/18/55/13/1377185513.db2.gz XTTVNSUISVTQTK-IAGOWNOFSA-N 2 1 325.541 3.172 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001135857711 1377236855 /nfs/dbraw/zinc/23/68/55/1377236855.db2.gz MWOVWXHYDOJFPD-CHWSQXEVSA-N 2 1 345.940 3.116 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135974476 1377283931 /nfs/dbraw/zinc/28/39/31/1377283931.db2.gz PUMLREWVBKHZFW-OALUTQOASA-N 2 1 347.547 3.408 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001135980330 1377285960 /nfs/dbraw/zinc/28/59/60/1377285960.db2.gz NVKPUFLAWMWRSV-IAGOWNOFSA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001266351887 1377289997 /nfs/dbraw/zinc/28/99/97/1377289997.db2.gz DVOGSTRTZUHCPH-KRWDZBQOSA-N 2 1 347.547 3.435 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001266351887 1377290002 /nfs/dbraw/zinc/29/00/02/1377290002.db2.gz DVOGSTRTZUHCPH-KRWDZBQOSA-N 2 1 347.547 3.435 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001266351887 1377290003 /nfs/dbraw/zinc/29/00/03/1377290003.db2.gz DVOGSTRTZUHCPH-KRWDZBQOSA-N 2 1 347.547 3.435 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1 ZINC001135995410 1377291757 /nfs/dbraw/zinc/29/17/57/1377291757.db2.gz FAPNTANWPVOKMH-MOPGFXCFSA-N 2 1 347.547 3.224 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCCCC1 ZINC001135995622 1377292041 /nfs/dbraw/zinc/29/20/41/1377292041.db2.gz IRSZKGKHTRKKOG-DLBZAZTESA-N 2 1 325.541 3.172 20 0 EGADMP CCC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995549 1377292293 /nfs/dbraw/zinc/29/22/93/1377292293.db2.gz HRTAJGNQQMZXNV-ZWHYWQQASA-N 2 1 325.541 3.338 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001327308808 1388493997 /nfs/dbraw/zinc/49/39/97/1388493997.db2.gz QRGOERCGVVEHAY-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001327308808 1388493999 /nfs/dbraw/zinc/49/39/99/1388493999.db2.gz QRGOERCGVVEHAY-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001327308808 1388494002 /nfs/dbraw/zinc/49/40/02/1388494002.db2.gz QRGOERCGVVEHAY-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CCCC(C)(C)C)CC1 ZINC001266853909 1377395599 /nfs/dbraw/zinc/39/55/99/1377395599.db2.gz WGSHVMRSTKEPMJ-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001267090235 1377411695 /nfs/dbraw/zinc/41/16/95/1377411695.db2.gz HZCSTEZSCFPDKV-PMACEKPBSA-N 2 1 345.531 3.244 20 0 EGADMP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001267482269 1377446562 /nfs/dbraw/zinc/44/65/62/1377446562.db2.gz QGECOYKXDMOMHH-MSOLQXFVSA-N 2 1 339.568 3.466 20 0 EGADMP C[NH+]1CCC(CN2CC[NH+](Cc3cc4ccccc4s3)CC2)CC1 ZINC001137686139 1377593067 /nfs/dbraw/zinc/59/30/67/1377593067.db2.gz BUTVTARWPLQQEJ-UHFFFAOYSA-N 2 1 343.540 3.361 20 0 EGADMP CC(=O)Oc1cccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001138044056 1377670284 /nfs/dbraw/zinc/67/02/84/1377670284.db2.gz NNSQYKAZGTWWOW-RBUKOAKNSA-N 2 1 330.472 3.451 20 0 EGADMP CC(=O)Oc1cccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001138044056 1377670287 /nfs/dbraw/zinc/67/02/87/1377670287.db2.gz NNSQYKAZGTWWOW-RBUKOAKNSA-N 2 1 330.472 3.451 20 0 EGADMP CC(=O)Oc1cccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001138044056 1377670290 /nfs/dbraw/zinc/67/02/90/1377670290.db2.gz NNSQYKAZGTWWOW-RBUKOAKNSA-N 2 1 330.472 3.451 20 0 EGADMP Cc1nccn1-c1ccc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC001138547719 1377739666 /nfs/dbraw/zinc/73/96/66/1377739666.db2.gz RQQCXDKSSXEEAA-HXUWFJFHSA-N 2 1 334.423 3.229 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC001138547719 1377739669 /nfs/dbraw/zinc/73/96/69/1377739669.db2.gz RQQCXDKSSXEEAA-HXUWFJFHSA-N 2 1 334.423 3.229 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC001138547719 1377739674 /nfs/dbraw/zinc/73/96/74/1377739674.db2.gz RQQCXDKSSXEEAA-HXUWFJFHSA-N 2 1 334.423 3.229 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC001138772039 1377782418 /nfs/dbraw/zinc/78/24/18/1377782418.db2.gz DNKPKABXQPRMMM-LJQANCHMSA-N 2 1 325.456 3.012 20 0 EGADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(-c2cccs2)s1 ZINC001139022428 1377818987 /nfs/dbraw/zinc/81/89/87/1377818987.db2.gz HIIZRNRWLBSMLJ-UHFFFAOYSA-N 2 1 335.542 3.156 20 0 EGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Oc2ncccn2)cc1 ZINC001139081031 1377826638 /nfs/dbraw/zinc/82/66/38/1377826638.db2.gz SIKKKZKDUCRKGN-UHFFFAOYSA-N 2 1 326.444 3.187 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Oc2ncccn2)cc1 ZINC001139081031 1377826642 /nfs/dbraw/zinc/82/66/42/1377826642.db2.gz SIKKKZKDUCRKGN-UHFFFAOYSA-N 2 1 326.444 3.187 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](C4CCCCC4)C3)s2)CC1 ZINC001139324075 1377868982 /nfs/dbraw/zinc/86/89/82/1377868982.db2.gz YTIZINXLNXOBSF-KRWDZBQOSA-N 2 1 348.560 3.297 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](C4CCCCC4)C3)s2)CC1 ZINC001139324075 1377868983 /nfs/dbraw/zinc/86/89/83/1377868983.db2.gz YTIZINXLNXOBSF-KRWDZBQOSA-N 2 1 348.560 3.297 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C(C)C)C1CCN(C)CC1 ZINC001140027657 1377993176 /nfs/dbraw/zinc/99/31/76/1377993176.db2.gz UHBBHQISEVAJSF-UHFFFAOYSA-N 2 1 326.488 3.485 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C(C)C)C1CCN(C)CC1 ZINC001140027657 1377993181 /nfs/dbraw/zinc/99/31/81/1377993181.db2.gz UHBBHQISEVAJSF-UHFFFAOYSA-N 2 1 326.488 3.485 20 0 EGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OCC1CC1 ZINC001140490609 1378072117 /nfs/dbraw/zinc/07/21/17/1378072117.db2.gz WLQKGUZGWXTOOK-UHFFFAOYSA-N 2 1 332.488 3.258 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(C)c(O)c(C)c2)CC1 ZINC001140655589 1378106250 /nfs/dbraw/zinc/10/62/50/1378106250.db2.gz RLOOTKMSGJLHLL-UHFFFAOYSA-N 2 1 325.456 3.451 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801426 1378141462 /nfs/dbraw/zinc/14/14/62/1378141462.db2.gz NDBWWTPANRZSFW-WMLDXEAASA-N 2 1 342.443 3.004 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[N@H+]2Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801426 1378141466 /nfs/dbraw/zinc/14/14/66/1378141466.db2.gz NDBWWTPANRZSFW-WMLDXEAASA-N 2 1 342.443 3.004 20 0 EGADMP Cc1ccc2c(c1)CC[N@H+](Cc1ccccc1N1CC[NH+](C)CC1)C2 ZINC001140976633 1378197078 /nfs/dbraw/zinc/19/70/78/1378197078.db2.gz UQQQUGPWRSWPLP-UHFFFAOYSA-N 2 1 335.495 3.305 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@]3(CCC[C@@H]3C(=O)NC(C)(C)C)C2)CC1 ZINC001278021929 1378255261 /nfs/dbraw/zinc/25/52/61/1378255261.db2.gz OBSNMJCHKSVSPH-DYESRHJHSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CNC(=O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001327517144 1388545931 /nfs/dbraw/zinc/54/59/31/1388545931.db2.gz DVHZIPCTVNBURC-QUCCMNQESA-N 2 1 345.531 3.039 20 0 EGADMP CC(C)CNC(=O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001327517144 1388545933 /nfs/dbraw/zinc/54/59/33/1388545933.db2.gz DVHZIPCTVNBURC-QUCCMNQESA-N 2 1 345.531 3.039 20 0 EGADMP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001144205401 1378699038 /nfs/dbraw/zinc/69/90/38/1378699038.db2.gz SQOMSNDCQQTTOZ-SFHVURJKSA-N 2 1 335.536 3.116 20 0 EGADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1Br ZINC001144230216 1378702182 /nfs/dbraw/zinc/70/21/82/1378702182.db2.gz IUMIJEPBBZIZFI-UHFFFAOYSA-N 2 1 341.293 3.231 20 0 EGADMP Oc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)nc1 ZINC001144259503 1378706449 /nfs/dbraw/zinc/70/64/49/1378706449.db2.gz RBSKKNAWHSAETC-UHFFFAOYSA-N 2 1 343.496 3.337 20 0 EGADMP CC[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1[nH+]cn2ccccc12 ZINC001144626998 1378753085 /nfs/dbraw/zinc/75/30/85/1378753085.db2.gz HZZYRJNVMNBRQM-IBGZPJMESA-N 2 1 334.467 3.431 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1[nH+]cn2ccccc12 ZINC001144626998 1378753088 /nfs/dbraw/zinc/75/30/88/1378753088.db2.gz HZZYRJNVMNBRQM-IBGZPJMESA-N 2 1 334.467 3.431 20 0 EGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC001144717192 1378763185 /nfs/dbraw/zinc/76/31/85/1378763185.db2.gz GBOZASLNGJQHLX-LJQANCHMSA-N 2 1 327.472 3.243 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC001144717192 1378763186 /nfs/dbraw/zinc/76/31/86/1378763186.db2.gz GBOZASLNGJQHLX-LJQANCHMSA-N 2 1 327.472 3.243 20 0 EGADMP COC1CC[NH+](C2CC[NH+](Cc3cccc4cc[nH]c43)CC2)CC1 ZINC001144721291 1378764483 /nfs/dbraw/zinc/76/44/83/1378764483.db2.gz FODRCUFOUZMKEC-UHFFFAOYSA-N 2 1 327.472 3.243 20 0 EGADMP Cc1cc(C)c(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001146591030 1378873565 /nfs/dbraw/zinc/87/35/65/1378873565.db2.gz FOPSWNWNQCOLHA-OALUTQOASA-N 2 1 347.547 3.325 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707260 1378904300 /nfs/dbraw/zinc/90/43/00/1378904300.db2.gz PTNNPZLMHZMASI-ZWKOTPCHSA-N 2 1 347.547 3.428 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707260 1378904309 /nfs/dbraw/zinc/90/43/09/1378904309.db2.gz PTNNPZLMHZMASI-ZWKOTPCHSA-N 2 1 347.547 3.428 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541336 1379039972 /nfs/dbraw/zinc/03/99/72/1379039972.db2.gz MLZREPQVURUSPN-RTBURBONSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147541336 1379039974 /nfs/dbraw/zinc/03/99/74/1379039974.db2.gz MLZREPQVURUSPN-RTBURBONSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147541336 1379039977 /nfs/dbraw/zinc/03/99/77/1379039977.db2.gz MLZREPQVURUSPN-RTBURBONSA-N 2 1 349.563 3.076 20 0 EGADMP CCCCC[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001147583810 1379046662 /nfs/dbraw/zinc/04/66/62/1379046662.db2.gz WRLPCEMRIAOGCA-QGZVFWFLSA-N 2 1 346.519 3.121 20 0 EGADMP CCCCC[N@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001147583810 1379046665 /nfs/dbraw/zinc/04/66/65/1379046665.db2.gz WRLPCEMRIAOGCA-QGZVFWFLSA-N 2 1 346.519 3.121 20 0 EGADMP CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CC(C)(C)C1)C2)[NH+](CC)CC ZINC001148286144 1379146204 /nfs/dbraw/zinc/14/62/04/1379146204.db2.gz UBYPELXEVSTWFU-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP CC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148385779 1379161456 /nfs/dbraw/zinc/16/14/56/1379161456.db2.gz QWKOLYLYOLCNAK-VOFKWLDRSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001148385779 1379161462 /nfs/dbraw/zinc/16/14/62/1379161462.db2.gz QWKOLYLYOLCNAK-VOFKWLDRSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001148385779 1379161467 /nfs/dbraw/zinc/16/14/67/1379161467.db2.gz QWKOLYLYOLCNAK-VOFKWLDRSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001148573526 1379215233 /nfs/dbraw/zinc/21/52/33/1379215233.db2.gz SUGQKUIHDXAQFW-KRWDZBQOSA-N 2 1 333.520 3.309 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCC1CCCCC1)C2 ZINC001148657181 1379235711 /nfs/dbraw/zinc/23/57/11/1379235711.db2.gz PAJVJWFIXNDLRR-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CCC1CCCCC1)C2 ZINC001148657181 1379235718 /nfs/dbraw/zinc/23/57/18/1379235718.db2.gz PAJVJWFIXNDLRR-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CCC1CCCCC1)C2 ZINC001148657181 1379235726 /nfs/dbraw/zinc/23/57/26/1379235726.db2.gz PAJVJWFIXNDLRR-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC[C@@H]1CCC[C@@H](C)C1)C2 ZINC001148842840 1379282263 /nfs/dbraw/zinc/28/22/63/1379282263.db2.gz CZXAYBKWTXOGNP-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CC[C@@H]1CCC[C@@H](C)C1)C2 ZINC001148842840 1379282266 /nfs/dbraw/zinc/28/22/66/1379282266.db2.gz CZXAYBKWTXOGNP-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CC[C@@H]1CCC[C@@H](C)C1)C2 ZINC001148842840 1379282269 /nfs/dbraw/zinc/28/22/69/1379282269.db2.gz CZXAYBKWTXOGNP-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C(C)C)C[C@@H]1C ZINC001284018597 1379367428 /nfs/dbraw/zinc/36/74/28/1379367428.db2.gz UKAFECGVTABVHC-HKUYNNGSSA-N 2 1 345.531 3.231 20 0 EGADMP C[N@H+](CC(=O)NCC[NH2+]CCC1CCCCCC1)Cc1ccccc1 ZINC001153321116 1380054752 /nfs/dbraw/zinc/05/47/52/1380054752.db2.gz XQTJIWNFZPCCHS-UHFFFAOYSA-N 2 1 345.531 3.185 20 0 EGADMP C[N@@H+](CC(=O)NCC[NH2+]CCC1CCCCCC1)Cc1ccccc1 ZINC001153321116 1380054756 /nfs/dbraw/zinc/05/47/56/1380054756.db2.gz XQTJIWNFZPCCHS-UHFFFAOYSA-N 2 1 345.531 3.185 20 0 EGADMP CC[N@@H+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153850883 1380143864 /nfs/dbraw/zinc/14/38/64/1380143864.db2.gz MCLBUQDQLPVNNR-GOSISDBHSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153850883 1380143868 /nfs/dbraw/zinc/14/38/68/1380143868.db2.gz MCLBUQDQLPVNNR-GOSISDBHSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153850883 1380143871 /nfs/dbraw/zinc/14/38/71/1380143871.db2.gz MCLBUQDQLPVNNR-GOSISDBHSA-N 2 1 345.531 3.114 20 0 EGADMP CCc1ccc(C[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C2CCC2)cc1 ZINC001153854778 1380144416 /nfs/dbraw/zinc/14/44/16/1380144416.db2.gz WGVUDDJXWMUFSK-QGZVFWFLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001153854778 1380144418 /nfs/dbraw/zinc/14/44/18/1380144418.db2.gz WGVUDDJXWMUFSK-QGZVFWFLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001153854778 1380144419 /nfs/dbraw/zinc/14/44/19/1380144419.db2.gz WGVUDDJXWMUFSK-QGZVFWFLSA-N 2 1 345.531 3.060 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC/C=C\c1ccccc1)[NH+](C)C ZINC001154000880 1380174867 /nfs/dbraw/zinc/17/48/67/1380174867.db2.gz LPPGJVVTKQCDEE-LGDHNJMOSA-N 2 1 345.531 3.257 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1C1CC1)[NH+](C)C ZINC001154000479 1380175092 /nfs/dbraw/zinc/17/50/92/1380175092.db2.gz DMDYSERXQOAZTE-OXQOHEQNSA-N 2 1 345.531 3.231 20 0 EGADMP CC[N@@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844303 1380362723 /nfs/dbraw/zinc/36/27/23/1380362723.db2.gz AMZNVVZBINLPFP-OKYOBFRVSA-N 2 1 339.568 3.226 20 0 EGADMP CC[NH+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001154844303 1380362724 /nfs/dbraw/zinc/36/27/24/1380362724.db2.gz AMZNVVZBINLPFP-OKYOBFRVSA-N 2 1 339.568 3.226 20 0 EGADMP CC[NH+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001154844303 1380362726 /nfs/dbraw/zinc/36/27/26/1380362726.db2.gz AMZNVVZBINLPFP-OKYOBFRVSA-N 2 1 339.568 3.226 20 0 EGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844650 1380364089 /nfs/dbraw/zinc/36/40/89/1380364089.db2.gz SAJOFKHAPQEWQI-NSHGMRRFSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001154844650 1380364093 /nfs/dbraw/zinc/36/40/93/1380364093.db2.gz SAJOFKHAPQEWQI-NSHGMRRFSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001154844650 1380364098 /nfs/dbraw/zinc/36/40/98/1380364098.db2.gz SAJOFKHAPQEWQI-NSHGMRRFSA-N 2 1 349.563 3.434 20 0 EGADMP [NH3+][C@H]1CCC[C@@H](Nc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C1 ZINC001154987466 1380385801 /nfs/dbraw/zinc/38/58/01/1380385801.db2.gz XNJDLPPOECRRBI-RBUKOAKNSA-N 2 1 336.483 3.322 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)C[C@@H](C)n1ccnc1 ZINC001155520770 1380463697 /nfs/dbraw/zinc/46/36/97/1380463697.db2.gz CBTBVAVBPHTEHN-IAGOWNOFSA-N 2 1 334.508 3.241 20 0 EGADMP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559291 1380468657 /nfs/dbraw/zinc/46/86/57/1380468657.db2.gz OPPXQLAKRSCWRC-MRXNPFEDSA-N 2 1 348.535 3.269 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559291 1380468658 /nfs/dbraw/zinc/46/86/58/1380468658.db2.gz OPPXQLAKRSCWRC-MRXNPFEDSA-N 2 1 348.535 3.269 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C)C(C)C ZINC001155883710 1380502512 /nfs/dbraw/zinc/50/25/12/1380502512.db2.gz BZFGQPWEQJWWSP-MSOLQXFVSA-N 2 1 327.557 3.226 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475719 1380581251 /nfs/dbraw/zinc/58/12/51/1380581251.db2.gz ROJNXFQAYHWHJW-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)CCCc1ccccc1 ZINC001156517194 1380587417 /nfs/dbraw/zinc/58/74/17/1380587417.db2.gz RJGWKHRNLVRGDY-LJQANCHMSA-N 2 1 347.547 3.178 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CCCc1ccccc1 ZINC001156517194 1380587420 /nfs/dbraw/zinc/58/74/20/1380587420.db2.gz RJGWKHRNLVRGDY-LJQANCHMSA-N 2 1 347.547 3.178 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CCCc1ccccc1 ZINC001156517194 1380587428 /nfs/dbraw/zinc/58/74/28/1380587428.db2.gz RJGWKHRNLVRGDY-LJQANCHMSA-N 2 1 347.547 3.178 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC1CCCCCC1 ZINC001156530272 1380588562 /nfs/dbraw/zinc/58/85/62/1380588562.db2.gz LRUGJQUICTXPOP-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC1CCCCCC1 ZINC001156530272 1380588565 /nfs/dbraw/zinc/58/85/65/1380588565.db2.gz LRUGJQUICTXPOP-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001156926319 1380730715 /nfs/dbraw/zinc/73/07/15/1380730715.db2.gz XMEHRGWIPLQTLX-QGZVFWFLSA-N 2 1 346.519 3.136 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092088 1380774337 /nfs/dbraw/zinc/77/43/37/1380774337.db2.gz KARKSUGRTFNLJW-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](Cc1ccccc1F)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157108686 1380777809 /nfs/dbraw/zinc/77/78/09/1380777809.db2.gz ANXMKJCQUCHARM-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](Cc1ccccc1F)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001157108686 1380777813 /nfs/dbraw/zinc/77/78/13/1380777813.db2.gz ANXMKJCQUCHARM-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CC[C@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157256734 1380824828 /nfs/dbraw/zinc/82/48/28/1380824828.db2.gz VYTMYZUWFQNSET-ZWKOTPCHSA-N 2 1 325.541 3.125 20 0 EGADMP C[C@H](c1ccccc1Cl)N(C)c1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001157368126 1380855759 /nfs/dbraw/zinc/85/57/59/1380855759.db2.gz QINFZASZKZHCFD-CYBMUJFWSA-N 2 1 345.878 3.255 20 0 EGADMP CCC[N@@H+]1C[C@H]2CN(c3[nH+]ccc4cc(OC)c(OC)cc43)C[C@H]2C1 ZINC001157693366 1381004425 /nfs/dbraw/zinc/00/44/25/1381004425.db2.gz YHKQXEUYCSMWGL-IYBDPMFKSA-N 2 1 341.455 3.030 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001157973637 1381090293 /nfs/dbraw/zinc/09/02/93/1381090293.db2.gz LWWCPOVOLWPFEN-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001158062115 1381117912 /nfs/dbraw/zinc/11/79/12/1381117912.db2.gz ZVSLTJMIBAFFOU-QZTJIDSGSA-N 2 1 346.519 3.264 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001158062115 1381117918 /nfs/dbraw/zinc/11/79/18/1381117918.db2.gz ZVSLTJMIBAFFOU-QZTJIDSGSA-N 2 1 346.519 3.264 20 0 EGADMP CC(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001158277509 1381182453 /nfs/dbraw/zinc/18/24/53/1381182453.db2.gz VEVURTWIGAQRCT-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001158419103 1381239739 /nfs/dbraw/zinc/23/97/39/1381239739.db2.gz KMIMMVLJLGYQLC-QULHZPMSSA-N 2 1 349.563 3.388 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CCC1CCCC1 ZINC001158473360 1381256600 /nfs/dbraw/zinc/25/66/00/1381256600.db2.gz JWMHIAPDYBTYIT-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CCCC1 ZINC001158473360 1381256601 /nfs/dbraw/zinc/25/66/01/1381256601.db2.gz JWMHIAPDYBTYIT-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CCCC1 ZINC001158473360 1381256606 /nfs/dbraw/zinc/25/66/06/1381256606.db2.gz JWMHIAPDYBTYIT-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001158473909 1381257195 /nfs/dbraw/zinc/25/71/95/1381257195.db2.gz QDZRCVPOVPRATK-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001158473909 1381257201 /nfs/dbraw/zinc/25/72/01/1381257201.db2.gz QDZRCVPOVPRATK-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001158473909 1381257207 /nfs/dbraw/zinc/25/72/07/1381257207.db2.gz QDZRCVPOVPRATK-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC=C(C)C)[NH+](CC)CC ZINC001158490998 1381266274 /nfs/dbraw/zinc/26/62/74/1381266274.db2.gz CHODOKXZNLQYAY-MOPGFXCFSA-N 2 1 337.552 3.386 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158751114 1381382939 /nfs/dbraw/zinc/38/29/39/1381382939.db2.gz UCHHORALDNAICE-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001158751114 1381382951 /nfs/dbraw/zinc/38/29/51/1381382951.db2.gz UCHHORALDNAICE-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001158751114 1381382961 /nfs/dbraw/zinc/38/29/61/1381382961.db2.gz UCHHORALDNAICE-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CC(CC)CC ZINC001158781856 1381397690 /nfs/dbraw/zinc/39/76/90/1381397690.db2.gz UKSYZJRTFOCIQW-LJQANCHMSA-N 2 1 339.568 3.467 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(CC)CC ZINC001158781856 1381397700 /nfs/dbraw/zinc/39/77/00/1381397700.db2.gz UKSYZJRTFOCIQW-LJQANCHMSA-N 2 1 339.568 3.467 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(CC)CC ZINC001158781856 1381397704 /nfs/dbraw/zinc/39/77/04/1381397704.db2.gz UKSYZJRTFOCIQW-LJQANCHMSA-N 2 1 339.568 3.467 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC001158786680 1381398556 /nfs/dbraw/zinc/39/85/56/1381398556.db2.gz FAMBUNKCKDPTDU-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCCC1 ZINC001158786680 1381398563 /nfs/dbraw/zinc/39/85/63/1381398563.db2.gz FAMBUNKCKDPTDU-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCCC1 ZINC001158786680 1381398567 /nfs/dbraw/zinc/39/85/67/1381398567.db2.gz FAMBUNKCKDPTDU-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP c1cn(C2CCCC2)c2nc[nH+]c(NCC34CC[NH+](CC3)CC4)c12 ZINC001158827511 1381420428 /nfs/dbraw/zinc/42/04/28/1381420428.db2.gz SMQHOTTZVAFYIR-UHFFFAOYSA-N 2 1 325.460 3.444 20 0 EGADMP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001158955361 1381484405 /nfs/dbraw/zinc/48/44/05/1381484405.db2.gz HNJLDFQCRLKCRT-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001158955361 1381484406 /nfs/dbraw/zinc/48/44/06/1381484406.db2.gz HNJLDFQCRLKCRT-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001158955361 1381484407 /nfs/dbraw/zinc/48/44/07/1381484407.db2.gz HNJLDFQCRLKCRT-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001158955361 1381484408 /nfs/dbraw/zinc/48/44/08/1381484408.db2.gz HNJLDFQCRLKCRT-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP Nc1cccnc1N(CC1CC[NH2+]CC1)c1cc[nH+]c2ccccc21 ZINC001159330425 1381765386 /nfs/dbraw/zinc/76/53/86/1381765386.db2.gz NRJMSLRABZQZIT-UHFFFAOYSA-N 2 1 333.439 3.350 20 0 EGADMP c1cc(C2([NH+]3CCOCC3)CC2)ccc1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001159600687 1381843531 /nfs/dbraw/zinc/84/35/31/1381843531.db2.gz MOQYPVXUDWTBLH-UHFFFAOYSA-N 2 1 349.478 3.397 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001159900864 1381932871 /nfs/dbraw/zinc/93/28/71/1381932871.db2.gz BCMYHGSPZZQBCE-IBGZPJMESA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001159910326 1381934096 /nfs/dbraw/zinc/93/40/96/1381934096.db2.gz QLUSSSDKDIVCDQ-LJQANCHMSA-N 2 1 337.552 3.316 20 0 EGADMP CCC/C=C\CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159908251 1381934444 /nfs/dbraw/zinc/93/44/44/1381934444.db2.gz HSTWBEAKAOIPEU-HMECNJMJSA-N 2 1 335.536 3.236 20 0 EGADMP Cc1ccc(C[NH2+]CCCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001159911045 1381934514 /nfs/dbraw/zinc/93/45/14/1381934514.db2.gz WUYZLFZTSPKUPK-HXUWFJFHSA-N 2 1 345.531 3.162 20 0 EGADMP O=C(NCCC[NH2+]CCC1=CCCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159911495 1381935082 /nfs/dbraw/zinc/93/50/82/1381935082.db2.gz ZAXJGERQSBAHDR-HXUWFJFHSA-N 2 1 347.547 3.380 20 0 EGADMP CC[NH2+]Cc1cccc(Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001159955549 1381949035 /nfs/dbraw/zinc/94/90/35/1381949035.db2.gz IOTURWUIYFPNQX-UHFFFAOYSA-N 2 1 325.456 3.372 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119627 1382003064 /nfs/dbraw/zinc/00/30/64/1382003064.db2.gz DIMIXOXKZFENEB-HXUWFJFHSA-N 2 1 349.563 3.434 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160119627 1382003067 /nfs/dbraw/zinc/00/30/67/1382003067.db2.gz DIMIXOXKZFENEB-HXUWFJFHSA-N 2 1 349.563 3.434 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160119627 1382003071 /nfs/dbraw/zinc/00/30/71/1382003071.db2.gz DIMIXOXKZFENEB-HXUWFJFHSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160126040 1382006190 /nfs/dbraw/zinc/00/61/90/1382006190.db2.gz RVTJWVTXWJODAJ-GOSISDBHSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155282 1382017978 /nfs/dbraw/zinc/01/79/78/1382017978.db2.gz BCYCOGSUYVBWDS-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169408 1382023686 /nfs/dbraw/zinc/02/36/86/1382023686.db2.gz QQLXGRZYSYXCSD-RLWBPELLSA-N 2 1 347.547 3.211 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001160169408 1382023694 /nfs/dbraw/zinc/02/36/94/1382023694.db2.gz QQLXGRZYSYXCSD-RLWBPELLSA-N 2 1 347.547 3.211 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001160169408 1382023699 /nfs/dbraw/zinc/02/36/99/1382023699.db2.gz QQLXGRZYSYXCSD-RLWBPELLSA-N 2 1 347.547 3.211 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160406288 1382095189 /nfs/dbraw/zinc/09/51/89/1382095189.db2.gz MWQSMEOOPWGSAD-IBDYFIJFSA-N 2 1 349.563 3.457 20 0 EGADMP CC(C)[C@@H](C(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1)[NH+](C)C ZINC001160406592 1382096488 /nfs/dbraw/zinc/09/64/88/1382096488.db2.gz QVXUFVVEEIWAQD-SFHVURJKSA-N 2 1 337.552 3.147 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567846 1382144166 /nfs/dbraw/zinc/14/41/66/1382144166.db2.gz NEFGBEUYFPXMMA-HXUWFJFHSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160567846 1382144169 /nfs/dbraw/zinc/14/41/69/1382144169.db2.gz NEFGBEUYFPXMMA-HXUWFJFHSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160567846 1382144174 /nfs/dbraw/zinc/14/41/74/1382144174.db2.gz NEFGBEUYFPXMMA-HXUWFJFHSA-N 2 1 349.563 3.291 20 0 EGADMP O=C(NCCC[NH2+]CC1CCCCCC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001160869766 1382219911 /nfs/dbraw/zinc/21/99/11/1382219911.db2.gz SMFHNQWYHXTIBO-OALUTQOASA-N 2 1 335.536 3.070 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161106935 1382298585 /nfs/dbraw/zinc/29/85/85/1382298585.db2.gz RAMDBOXEUFTJCM-FQEVSTJZSA-N 2 1 343.515 3.228 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC1=CC[NH+](CCC2CCCC2)CC1 ZINC001161207263 1382341852 /nfs/dbraw/zinc/34/18/52/1382341852.db2.gz RORAVXUNAAPHSK-SFHVURJKSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001161207263 1382341857 /nfs/dbraw/zinc/34/18/57/1382341857.db2.gz RORAVXUNAAPHSK-SFHVURJKSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@@H+](CCC2CCCC2)CC1 ZINC001161207263 1382341860 /nfs/dbraw/zinc/34/18/60/1382341860.db2.gz RORAVXUNAAPHSK-SFHVURJKSA-N 2 1 347.547 3.189 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001161226621 1382349217 /nfs/dbraw/zinc/34/92/17/1382349217.db2.gz LNIYXIBEJFKCQO-UHFFFAOYSA-N 2 1 325.541 3.173 20 0 EGADMP CC[C@@H](C(=O)NCCC1=CC[N@@H+](C[C@@H](C)CC(C)C)CC1)[NH+](C)C ZINC001161239557 1382351198 /nfs/dbraw/zinc/35/11/98/1382351198.db2.gz JLFSRNFOTHMYIJ-HKUYNNGSSA-N 2 1 337.552 3.147 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C(=O)N1CCC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC001161489901 1382421098 /nfs/dbraw/zinc/42/10/98/1382421098.db2.gz RIZQQEDOKXVIAF-CTNGQTDRSA-N 2 1 345.531 3.437 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001294428699 1382456589 /nfs/dbraw/zinc/45/65/89/1382456589.db2.gz TXYQARSMYJQCCJ-QUCCMNQESA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001294428699 1382456592 /nfs/dbraw/zinc/45/65/92/1382456592.db2.gz TXYQARSMYJQCCJ-QUCCMNQESA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001294428699 1382456595 /nfs/dbraw/zinc/45/65/95/1382456595.db2.gz TXYQARSMYJQCCJ-QUCCMNQESA-N 2 1 345.531 3.134 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)c1ccccc1 ZINC001161643911 1382468688 /nfs/dbraw/zinc/46/86/88/1382468688.db2.gz DPCANDXNKRMDHY-UXHICEINSA-N 2 1 345.531 3.354 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1=CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001161755004 1382495585 /nfs/dbraw/zinc/49/55/85/1382495585.db2.gz GRLDIQKKXYNYBM-SFHVURJKSA-N 2 1 337.552 3.149 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@H+](C[C@@H](C)CC(C)C)CC1 ZINC001161755004 1382495586 /nfs/dbraw/zinc/49/55/86/1382495586.db2.gz GRLDIQKKXYNYBM-SFHVURJKSA-N 2 1 337.552 3.149 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@@H+](C[C@@H](C)CC(C)C)CC1 ZINC001161755004 1382495589 /nfs/dbraw/zinc/49/55/89/1382495589.db2.gz GRLDIQKKXYNYBM-SFHVURJKSA-N 2 1 337.552 3.149 20 0 EGADMP Nc1ccc[nH+]c1NCC1(Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001161992155 1382592070 /nfs/dbraw/zinc/59/20/70/1382592070.db2.gz HBWAGJLAVKGZCW-UHFFFAOYSA-N 2 1 330.863 3.342 20 0 EGADMP Cc1sc2nc(C[NH+](C)C)nc(N[C@@H]3CCC[C@H]([NH3+])C3)c2c1C ZINC001162391536 1382746108 /nfs/dbraw/zinc/74/61/08/1382746108.db2.gz BPLDRDIPNKRHNZ-QWHCGFSZSA-N 2 1 333.505 3.052 20 0 EGADMP Cc1ccc2c(c1)[C@H](Nc1nc3[nH]ccc3c[nH+]1)CC21CC[NH2+]CC1 ZINC001163023419 1382950060 /nfs/dbraw/zinc/95/00/60/1382950060.db2.gz FWGOJINRWVKBGB-QGZVFWFLSA-N 2 1 333.439 3.396 20 0 EGADMP Cc1cc(C)c2[nH+]c(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)cc(C)c2c1 ZINC001163310590 1383018634 /nfs/dbraw/zinc/01/86/34/1383018634.db2.gz MOHNLVIJBHTORM-OXJNMPFZSA-N 2 1 325.456 3.483 20 0 EGADMP CC(C)[N@H+]1CC[C@H](Nc2cccc(OCC[NH+]3CCCC3)n2)[C@@H](C)C1 ZINC001163366276 1383032805 /nfs/dbraw/zinc/03/28/05/1383032805.db2.gz TZOUTVHRIQRZGO-ROUUACIJSA-N 2 1 346.519 3.087 20 0 EGADMP C[N@H+]1CCN(c2ncccc2C[NH+]2CCCC2)[C@H](c2ccccc2)C1 ZINC001163674164 1383103117 /nfs/dbraw/zinc/10/31/17/1383103117.db2.gz IHRPECANPMORJB-FQEVSTJZSA-N 2 1 336.483 3.171 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001163821279 1383125575 /nfs/dbraw/zinc/12/55/75/1383125575.db2.gz MPFDZTFJRNATNZ-GOSISDBHSA-N 2 1 349.563 3.173 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001163821629 1383125849 /nfs/dbraw/zinc/12/58/49/1383125849.db2.gz NNIJBXBDALQTDS-MJGOQNOKSA-N 2 1 343.515 3.026 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CC2CCC(C)CC2)C1 ZINC001164449688 1383187782 /nfs/dbraw/zinc/18/77/82/1383187782.db2.gz QARHLCHUJVZLIC-CTWPCTMYSA-N 2 1 337.552 3.031 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531313 1383196647 /nfs/dbraw/zinc/19/66/47/1383196647.db2.gz CVQWYVZYDHQIFX-OALUTQOASA-N 2 1 349.563 3.173 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CC3CCC(C)CC3)CC2)CC[N@H+]1C ZINC001164582721 1383202245 /nfs/dbraw/zinc/20/22/45/1383202245.db2.gz NYNSXHXLXMISRV-JWHDQAAXSA-N 2 1 349.563 3.029 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)nc1 ZINC001165152688 1383238115 /nfs/dbraw/zinc/23/81/15/1383238115.db2.gz VLPNCMCCJQHJMK-OTWHNJEPSA-N 2 1 328.504 3.016 20 0 EGADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc1 ZINC001165152688 1383238120 /nfs/dbraw/zinc/23/81/20/1383238120.db2.gz VLPNCMCCJQHJMK-OTWHNJEPSA-N 2 1 328.504 3.016 20 0 EGADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc1 ZINC001165152688 1383238123 /nfs/dbraw/zinc/23/81/23/1383238123.db2.gz VLPNCMCCJQHJMK-OTWHNJEPSA-N 2 1 328.504 3.016 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1cc(C[NH+](C)C)ccn1 ZINC001165202975 1383249115 /nfs/dbraw/zinc/24/91/15/1383249115.db2.gz QSYSKOPPHRTTSH-ROUUACIJSA-N 2 1 338.499 3.242 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001165484371 1383301239 /nfs/dbraw/zinc/30/12/39/1383301239.db2.gz CTOSPEGXVLBTDP-KRWDZBQOSA-N 2 1 346.519 3.217 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001165501120 1383303791 /nfs/dbraw/zinc/30/37/91/1383303791.db2.gz AUHRLVXWXPEHPP-KRWDZBQOSA-N 2 1 337.552 3.029 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001165568523 1383311459 /nfs/dbraw/zinc/31/14/59/1383311459.db2.gz JRGWHRCBTWSLGC-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CCC1CCCC1)[NH+](C)C ZINC001328763463 1388848259 /nfs/dbraw/zinc/84/82/59/1388848259.db2.gz DWMDOUBQFFFTIS-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001166802856 1383479973 /nfs/dbraw/zinc/47/99/73/1383479973.db2.gz MQPPASQMLCNYPS-GOSISDBHSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC2(C[NH2+]CC3CCC(C)CC3)CC2)C1 ZINC001167232463 1383571075 /nfs/dbraw/zinc/57/10/75/1383571075.db2.gz DDNVQYLSWBOIEE-JLAWEPINSA-N 2 1 349.563 3.031 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(-n2ccc3cc(C[NH3+])cnc32)nc1 ZINC001167308220 1383591460 /nfs/dbraw/zinc/59/14/60/1383591460.db2.gz JWKXSIINHXPRRA-HNNXBMFYSA-N 2 1 335.455 3.254 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CCC(C)C)CC1 ZINC001167471010 1383643563 /nfs/dbraw/zinc/64/35/63/1383643563.db2.gz OVBFSPLQEOSERH-UHFFFAOYSA-N 2 1 339.568 3.421 20 0 EGADMP COC(=O)c1c[nH+]c(NCCC[N@H+]2CCCC[C@@H]2C)c2ccn(C)c21 ZINC001167751124 1383729642 /nfs/dbraw/zinc/72/96/42/1383729642.db2.gz ICRWLXHTVXUCHP-AWEZNQCLSA-N 2 1 344.459 3.036 20 0 EGADMP OCC1(Nc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)CCCC1 ZINC001167805465 1383743870 /nfs/dbraw/zinc/74/38/70/1383743870.db2.gz YNEYKTARHPAMSD-INIZCTEOSA-N 2 1 328.460 3.068 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001167825978 1383750413 /nfs/dbraw/zinc/75/04/13/1383750413.db2.gz LXQJQXSOTNAPGO-JBACZVJFSA-N 2 1 329.532 3.456 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](Oc2cc(OC)ccn2)C1 ZINC001167833668 1383752998 /nfs/dbraw/zinc/75/29/98/1383752998.db2.gz CXPNKCWYWCQSLM-WMZOPIPTSA-N 2 1 335.492 3.054 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC)CCNC(=O)OC(C)(C)C ZINC001167841737 1383756661 /nfs/dbraw/zinc/75/66/61/1383756661.db2.gz PXERWJPHFWHHEB-MRXNPFEDSA-N 2 1 329.529 3.344 20 0 EGADMP [NH2+]=C(Nc1cc2c(c(OCc3ccccc3)c1)OCO2)SCC[NH3+] ZINC001167911925 1383768558 /nfs/dbraw/zinc/76/85/58/1383768558.db2.gz GZFUOCGGRZMVBA-UHFFFAOYSA-N 2 1 345.424 3.033 20 0 EGADMP COc1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc(OC)c1 ZINC001167961183 1383779772 /nfs/dbraw/zinc/77/97/72/1383779772.db2.gz FZFVHTMDSWMUDN-YQQQUEKLSA-N 2 1 344.499 3.241 20 0 EGADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccc1 ZINC001167964646 1383780231 /nfs/dbraw/zinc/78/02/31/1383780231.db2.gz VXBJHSCTQNZVHU-OTYNDTSQSA-N 2 1 327.516 3.284 20 0 EGADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167964646 1383780235 /nfs/dbraw/zinc/78/02/35/1383780235.db2.gz VXBJHSCTQNZVHU-OTYNDTSQSA-N 2 1 327.516 3.284 20 0 EGADMP O[C@H]1CCc2ccccc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167967144 1383781364 /nfs/dbraw/zinc/78/13/64/1383781364.db2.gz DMTTWYBDWUANHO-XCZPKYGJSA-N 2 1 326.484 3.030 20 0 EGADMP O[C@H]1CCc2ccccc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967144 1383781368 /nfs/dbraw/zinc/78/13/68/1383781368.db2.gz DMTTWYBDWUANHO-XCZPKYGJSA-N 2 1 326.484 3.030 20 0 EGADMP CC(=O)Nc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167974320 1383783526 /nfs/dbraw/zinc/78/35/26/1383783526.db2.gz VXKFDHZATKEGNA-SEJPIABJSA-N 2 1 341.499 3.183 20 0 EGADMP COc1cccnc1C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167978214 1383784825 /nfs/dbraw/zinc/78/48/25/1383784825.db2.gz MKZDBVFSTZAMCM-AYHJJNSGSA-N 2 1 343.515 3.363 20 0 EGADMP CN(CC[N@@H+](C)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168004296 1383794312 /nfs/dbraw/zinc/79/43/12/1383794312.db2.gz SKUKUUHOEFDNQD-CBQGHPETSA-N 2 1 341.543 3.456 20 0 EGADMP CN(CC[NH+](C)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168004296 1383794314 /nfs/dbraw/zinc/79/43/14/1383794314.db2.gz SKUKUUHOEFDNQD-CBQGHPETSA-N 2 1 341.543 3.456 20 0 EGADMP CN(CC[NH+](C)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168004296 1383794315 /nfs/dbraw/zinc/79/43/15/1383794315.db2.gz SKUKUUHOEFDNQD-CBQGHPETSA-N 2 1 341.543 3.456 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CN3CCC2CC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008624 1383795642 /nfs/dbraw/zinc/79/56/42/1383795642.db2.gz FPVLWPCNMWSHBG-JWWGGVBKSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(CCF)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018323 1383797634 /nfs/dbraw/zinc/79/76/34/1383797634.db2.gz CUHUUSGWQRMNAZ-RMFSNUHRSA-N 2 1 347.522 3.452 20 0 EGADMP Cc1nc(CC[NH+](C)[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC001168046965 1383804761 /nfs/dbraw/zinc/80/47/61/1383804761.db2.gz PSPIQKWRPNSCAM-HGKCTWBKSA-N 2 1 342.487 3.294 20 0 EGADMP Cc1nc(CC[NH+](C)[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC001168046965 1383804768 /nfs/dbraw/zinc/80/47/68/1383804768.db2.gz PSPIQKWRPNSCAM-HGKCTWBKSA-N 2 1 342.487 3.294 20 0 EGADMP Cc1nc(CC[N@@H+](C)[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC001168046965 1383804771 /nfs/dbraw/zinc/80/47/71/1383804771.db2.gz PSPIQKWRPNSCAM-HGKCTWBKSA-N 2 1 342.487 3.294 20 0 EGADMP Cc1nc(CC[N@H+](C)[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC001168046965 1383804774 /nfs/dbraw/zinc/80/47/74/1383804774.db2.gz PSPIQKWRPNSCAM-HGKCTWBKSA-N 2 1 342.487 3.294 20 0 EGADMP C[C@@H]1C[C@@H](N2CCC3(C[NH+](C)C3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168054716 1383805615 /nfs/dbraw/zinc/80/56/15/1383805615.db2.gz AOMJIMXSIKBWFP-CEQLMSFQSA-N 2 1 341.543 3.456 20 0 EGADMP C[C@H]1CC([N@H+]2CCC3(CN(C)C3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056270 1383805973 /nfs/dbraw/zinc/80/59/73/1383805973.db2.gz FBEHEKFKKUXVSP-ROUUACIJSA-N 2 1 327.516 3.066 20 0 EGADMP CC[N@H+]1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168063360 1383808651 /nfs/dbraw/zinc/80/86/51/1383808651.db2.gz AMABMBBWWJOCGZ-GBESFXJTSA-N 2 1 329.532 3.454 20 0 EGADMP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)C1C[NH+](C2CCCCC2)C1 ZINC001304175839 1383837450 /nfs/dbraw/zinc/83/74/50/1383837450.db2.gz JYUVLFUKFBBEGN-UHFFFAOYSA-N 2 1 342.487 3.275 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)CC1 ZINC001168321880 1383872365 /nfs/dbraw/zinc/87/23/65/1383872365.db2.gz LJNFMSFNZBENTB-OTGCGEFBSA-N 2 1 341.499 3.129 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168326553 1383873460 /nfs/dbraw/zinc/87/34/60/1383873460.db2.gz BAFWNCMVBGYOJA-NJINODPHSA-N 2 1 339.524 3.094 20 0 EGADMP [NH3+][C@@H](CO)Cc1c[nH+]cn1C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168337879 1383877650 /nfs/dbraw/zinc/87/76/50/1383877650.db2.gz QVKWBBCIHUURTO-ARWYELJZSA-N 2 1 333.863 3.298 20 0 EGADMP Cc1ncc(CNc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)cn1 ZINC001168386920 1383891894 /nfs/dbraw/zinc/89/18/94/1383891894.db2.gz JCMMOKQMJPETPY-QGZVFWFLSA-N 2 1 336.443 3.061 20 0 EGADMP C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001168456533 1383910920 /nfs/dbraw/zinc/91/09/20/1383910920.db2.gz SXOXYGCOLFYPPK-KRWDZBQOSA-N 2 1 342.458 3.379 20 0 EGADMP COc1ccc([C@H]2C[C@H]([NH+]3CCC([N@@H+](C)C4CC4)CC3)CCO2)cc1 ZINC001168665370 1383964217 /nfs/dbraw/zinc/96/42/17/1383964217.db2.gz PNWHMLPUTPFJRE-TZIWHRDSSA-N 2 1 344.499 3.474 20 0 EGADMP [NH3+]C1(Cc2cccnc2)CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168715095 1383978342 /nfs/dbraw/zinc/97/83/42/1383978342.db2.gz MSRCYYNTZMMOKK-KRWDZBQOSA-N 2 1 341.886 3.238 20 0 EGADMP CN(CC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC001307736077 1384021846 /nfs/dbraw/zinc/02/18/46/1384021846.db2.gz KPHYUVIRBOQINR-OYRHEFFESA-N 2 1 335.495 3.187 20 0 EGADMP CN(CC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC001307736077 1384021853 /nfs/dbraw/zinc/02/18/53/1384021853.db2.gz KPHYUVIRBOQINR-OYRHEFFESA-N 2 1 335.495 3.187 20 0 EGADMP CN(CC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC001307736077 1384021861 /nfs/dbraw/zinc/02/18/61/1384021861.db2.gz KPHYUVIRBOQINR-OYRHEFFESA-N 2 1 335.495 3.187 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H]2COC3(CCCCC3)O2)cc1 ZINC001168839789 1384028293 /nfs/dbraw/zinc/02/82/93/1384028293.db2.gz WXJJXWKTSASPLC-LJQANCHMSA-N 2 1 332.488 3.256 20 0 EGADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001169079306 1384104010 /nfs/dbraw/zinc/10/40/10/1384104010.db2.gz RAUAWTFZLJCUJX-BHIFYINESA-N 2 1 343.559 3.354 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)C2 ZINC001169100292 1384107257 /nfs/dbraw/zinc/10/72/57/1384107257.db2.gz IIYNNDRBHLSCME-OXIQGZBJSA-N 2 1 329.271 3.242 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)C2 ZINC001169100292 1384107259 /nfs/dbraw/zinc/10/72/59/1384107259.db2.gz IIYNNDRBHLSCME-OXIQGZBJSA-N 2 1 329.271 3.242 20 0 EGADMP C[C@H](CNC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001308200107 1384108544 /nfs/dbraw/zinc/10/85/44/1384108544.db2.gz UAARTHVRPHRDED-RTBURBONSA-N 2 1 329.532 3.361 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH3+])(Cc3ccccc3Cl)CC1)C2 ZINC001169115357 1384109146 /nfs/dbraw/zinc/10/91/46/1384109146.db2.gz JHEXWEOTVDMCDP-PIIMJCKOSA-N 2 1 347.934 3.301 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(N3CCCCCC3=O)cc1)C2 ZINC001169116956 1384109360 /nfs/dbraw/zinc/10/93/60/1384109360.db2.gz UWICCQPZDLRGJW-VJDPLVQDSA-N 2 1 341.499 3.308 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1[C@@H]3CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C3)C2 ZINC001169141654 1384112851 /nfs/dbraw/zinc/11/28/51/1384112851.db2.gz RPOJNAYAYFFOQT-WKTMMLQWSA-N 2 1 349.519 3.132 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1[C@@H]3CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C3)C2 ZINC001169141654 1384112853 /nfs/dbraw/zinc/11/28/53/1384112853.db2.gz RPOJNAYAYFFOQT-WKTMMLQWSA-N 2 1 349.519 3.132 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1[C@@H]3CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C3)C2 ZINC001169141654 1384112858 /nfs/dbraw/zinc/11/28/58/1384112858.db2.gz RPOJNAYAYFFOQT-WKTMMLQWSA-N 2 1 349.519 3.132 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1[C@@H]3CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C3)C2 ZINC001169141654 1384112860 /nfs/dbraw/zinc/11/28/60/1384112860.db2.gz RPOJNAYAYFFOQT-WKTMMLQWSA-N 2 1 349.519 3.132 20 0 EGADMP CC(=O)C1(c2ccccc2)CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169142587 1384113435 /nfs/dbraw/zinc/11/34/35/1384113435.db2.gz DHJNOHALNJMTSB-ACDBMABISA-N 2 1 326.484 3.234 20 0 EGADMP CC(=O)C1(c2ccccc2)CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169142587 1384113437 /nfs/dbraw/zinc/11/34/37/1384113437.db2.gz DHJNOHALNJMTSB-ACDBMABISA-N 2 1 326.484 3.234 20 0 EGADMP Cc1nn2c(C[NH2+]C[C@@H]3CCC[N@@H+](C(C)C)C3)c(C(C)C)nc2s1 ZINC001308253914 1384113458 /nfs/dbraw/zinc/11/34/58/1384113458.db2.gz FKPWWKLOSYVXFR-HNNXBMFYSA-N 2 1 349.548 3.433 20 0 EGADMP Cc1nn2c(C[NH2+]C[C@@H]3CCC[N@H+](C(C)C)C3)c(C(C)C)nc2s1 ZINC001308253914 1384113459 /nfs/dbraw/zinc/11/34/59/1384113459.db2.gz FKPWWKLOSYVXFR-HNNXBMFYSA-N 2 1 349.548 3.433 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](CCO)Cc1ccc(Cl)c(Cl)c1)C2 ZINC001169152199 1384115765 /nfs/dbraw/zinc/11/57/65/1384115765.db2.gz AJXODFGUFJPICX-FICVDOATSA-N 2 1 343.298 3.413 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](CCO)Cc1ccc(Cl)c(Cl)c1)C2 ZINC001169152199 1384115767 /nfs/dbraw/zinc/11/57/67/1384115767.db2.gz AJXODFGUFJPICX-FICVDOATSA-N 2 1 343.298 3.413 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](CCO)Cc1ccc(Cl)c(Cl)c1)C2 ZINC001169152199 1384115769 /nfs/dbraw/zinc/11/57/69/1384115769.db2.gz AJXODFGUFJPICX-FICVDOATSA-N 2 1 343.298 3.413 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1)C2 ZINC001169152199 1384115770 /nfs/dbraw/zinc/11/57/70/1384115770.db2.gz AJXODFGUFJPICX-FICVDOATSA-N 2 1 343.298 3.413 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153413 1384116255 /nfs/dbraw/zinc/11/62/55/1384116255.db2.gz IQCNAYUIOFGSEN-BURNTYAHSA-N 2 1 327.516 3.208 20 0 EGADMP CC[C@H]1C[NH+](Cc2ccccc2)CCN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153413 1384116257 /nfs/dbraw/zinc/11/62/57/1384116257.db2.gz IQCNAYUIOFGSEN-BURNTYAHSA-N 2 1 327.516 3.208 20 0 EGADMP CC[C@H]1C[NH+](Cc2ccccc2)CCN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153413 1384116259 /nfs/dbraw/zinc/11/62/59/1384116259.db2.gz IQCNAYUIOFGSEN-BURNTYAHSA-N 2 1 327.516 3.208 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](C(=O)OCc3ccccc3)C1)C2 ZINC001169160918 1384117847 /nfs/dbraw/zinc/11/78/47/1384117847.db2.gz MSAJJHCQJXCFHP-VNTMZGSJSA-N 2 1 342.483 3.067 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](C(=O)OCc3ccccc3)C1)C2 ZINC001169160918 1384117849 /nfs/dbraw/zinc/11/78/49/1384117849.db2.gz MSAJJHCQJXCFHP-VNTMZGSJSA-N 2 1 342.483 3.067 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H](C(=O)OCc3ccccc3)C1)C2 ZINC001169160918 1384117851 /nfs/dbraw/zinc/11/78/51/1384117851.db2.gz MSAJJHCQJXCFHP-VNTMZGSJSA-N 2 1 342.483 3.067 20 0 EGADMP CC[NH+]1CCC([NH2+]C2CCN(Cc3cccc(F)c3C)CC2)CC1 ZINC001169238621 1384126055 /nfs/dbraw/zinc/12/60/55/1384126055.db2.gz KACVGAKBGHPLOJ-UHFFFAOYSA-N 2 1 333.495 3.172 20 0 EGADMP CC[NH+]1CCC(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001308896530 1384157469 /nfs/dbraw/zinc/15/74/69/1384157469.db2.gz BDVLNGJMBRFAIE-WIYYLYMNSA-N 3 1 329.532 3.076 20 0 EGADMP CC(=O)N1CCC[C@@H]([N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169596665 1384163525 /nfs/dbraw/zinc/16/35/25/1384163525.db2.gz OJYUVOXGEIJOTF-NJDAHSKKSA-N 2 1 343.515 3.078 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001169699299 1384175030 /nfs/dbraw/zinc/17/50/30/1384175030.db2.gz WZEOIMNZZRPTFY-GOSISDBHSA-N 3 1 347.466 3.261 20 0 EGADMP CCc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001169809967 1384187825 /nfs/dbraw/zinc/18/78/25/1384187825.db2.gz MUXFAIVISQWAGA-XLIONFOSSA-N 2 1 345.531 3.108 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169949181 1384202548 /nfs/dbraw/zinc/20/25/48/1384202548.db2.gz LKQHLQKLJHWKGH-FQEVSTJZSA-N 2 1 344.499 3.269 20 0 EGADMP CC[C@H]1C[C@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CCO1 ZINC001170236335 1384273781 /nfs/dbraw/zinc/27/37/81/1384273781.db2.gz RPBRPPAQOACQEL-RTWAWAEBSA-N 2 1 328.500 3.467 20 0 EGADMP CC[C@H]1C[C@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CCO1 ZINC001170236335 1384273782 /nfs/dbraw/zinc/27/37/82/1384273782.db2.gz RPBRPPAQOACQEL-RTWAWAEBSA-N 2 1 328.500 3.467 20 0 EGADMP CC[C@H]1CC([N@@H+]2CCC[C@H]2C[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170465701 1384325568 /nfs/dbraw/zinc/32/55/68/1384325568.db2.gz QYPNLZVJOYGSJF-JYJNAYRXSA-N 2 1 339.524 3.366 20 0 EGADMP CC[C@H]1CC([N@H+]2CCC[C@H]2C[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170465701 1384325571 /nfs/dbraw/zinc/32/55/71/1384325571.db2.gz QYPNLZVJOYGSJF-JYJNAYRXSA-N 2 1 339.524 3.366 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170527522 1384336124 /nfs/dbraw/zinc/33/61/24/1384336124.db2.gz ZFYRYJWVDQJBMN-DDBAPUKQSA-N 2 1 348.462 3.239 20 0 EGADMP CCCCCC[C@H](CC)[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001170601750 1384347836 /nfs/dbraw/zinc/34/78/36/1384347836.db2.gz RSBVXVCESGVDBN-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170785469 1384384711 /nfs/dbraw/zinc/38/47/11/1384384711.db2.gz MNBKBMWKKXFFJQ-PKOBYXMFSA-N 2 1 349.563 3.316 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(F)cc1 ZINC001170786011 1384385273 /nfs/dbraw/zinc/38/52/73/1384385273.db2.gz YZMBHKZTXKBVGK-IBGZPJMESA-N 2 1 349.494 3.076 20 0 EGADMP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170863624 1384400799 /nfs/dbraw/zinc/40/07/99/1384400799.db2.gz WPTRQUZMOKTHDM-ZHALLVOQSA-N 2 1 337.552 3.172 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170868816 1384401873 /nfs/dbraw/zinc/40/18/73/1384401873.db2.gz NOCNUVPLZNMQQE-CSMYWGQOSA-N 2 1 337.305 3.236 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170868816 1384401875 /nfs/dbraw/zinc/40/18/75/1384401875.db2.gz NOCNUVPLZNMQQE-CSMYWGQOSA-N 2 1 337.305 3.236 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170871663 1384402413 /nfs/dbraw/zinc/40/24/13/1384402413.db2.gz QLCCUDJBGNMGMV-YTQUADARSA-N 2 1 339.568 3.418 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CCC1 ZINC001170878802 1384403895 /nfs/dbraw/zinc/40/38/95/1384403895.db2.gz REBSHMLZJZETTD-SJORKVTESA-N 2 1 348.535 3.461 20 0 EGADMP Clc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@H+](CC3CCOCC3)C1)C2 ZINC001171024133 1384431979 /nfs/dbraw/zinc/43/19/79/1384431979.db2.gz AOVRKDLWGFGYSF-ZWKOTPCHSA-N 2 1 348.918 3.288 20 0 EGADMP Clc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC3CCOCC3)C1)C2 ZINC001171024133 1384431982 /nfs/dbraw/zinc/43/19/82/1384431982.db2.gz AOVRKDLWGFGYSF-ZWKOTPCHSA-N 2 1 348.918 3.288 20 0 EGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@@H]1CCc3c(Cl)cccc3C1)CC2 ZINC001171043871 1384435895 /nfs/dbraw/zinc/43/58/95/1384435895.db2.gz HPWKIXCYSAOKPC-OAHLLOKOSA-N 2 1 347.890 3.327 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1Cc1cc(C)ccc1C ZINC001316603429 1384471180 /nfs/dbraw/zinc/47/11/80/1384471180.db2.gz COCIZKZRCDZDLA-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C)ccc1C ZINC001316603429 1384471181 /nfs/dbraw/zinc/47/11/81/1384471181.db2.gz COCIZKZRCDZDLA-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C)ccc1C ZINC001316603429 1384471183 /nfs/dbraw/zinc/47/11/83/1384471183.db2.gz COCIZKZRCDZDLA-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001171235702 1384476779 /nfs/dbraw/zinc/47/67/79/1384476779.db2.gz IUGQWXJMHWMYOB-MOPGFXCFSA-N 2 1 337.552 3.195 20 0 EGADMP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171331256 1384496110 /nfs/dbraw/zinc/49/61/10/1384496110.db2.gz XSUYPOIVSHZSRM-ZYHOBAKYSA-N 2 1 337.552 3.482 20 0 EGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171330306 1384496207 /nfs/dbraw/zinc/49/62/07/1384496207.db2.gz SNELGAPURSMYPZ-MSOLQXFVSA-N 2 1 325.541 3.316 20 0 EGADMP COC(=O)[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001335764567 1388926657 /nfs/dbraw/zinc/92/66/57/1388926657.db2.gz OBCOFAGIXNOCJJ-VXIBKDFQSA-N 2 1 336.520 3.208 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171439088 1384524037 /nfs/dbraw/zinc/52/40/37/1384524037.db2.gz WBSPYIRXABMEJC-RTBURBONSA-N 2 1 346.490 3.258 20 0 EGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171439088 1384524039 /nfs/dbraw/zinc/52/40/39/1384524039.db2.gz WBSPYIRXABMEJC-RTBURBONSA-N 2 1 346.490 3.258 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171439088 1384524040 /nfs/dbraw/zinc/52/40/40/1384524040.db2.gz WBSPYIRXABMEJC-RTBURBONSA-N 2 1 346.490 3.258 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001316710485 1384533991 /nfs/dbraw/zinc/53/39/91/1384533991.db2.gz ZJFVMESKPACYRV-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171510400 1384547005 /nfs/dbraw/zinc/54/70/05/1384547005.db2.gz AWDZQNKSYMBRGY-RCBQFDQVSA-N 2 1 326.406 3.424 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171547172 1384558972 /nfs/dbraw/zinc/55/89/72/1384558972.db2.gz RWJNHWOWVSXQNB-PKOBYXMFSA-N 2 1 337.552 3.316 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2CCc3c(C)cccc3C2)CC1 ZINC001171571412 1384566879 /nfs/dbraw/zinc/56/68/79/1384566879.db2.gz XRKCNVDHKDRYNH-LEWJYISDSA-N 2 1 342.527 3.428 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CCCC(C)C ZINC001171585995 1384572248 /nfs/dbraw/zinc/57/22/48/1384572248.db2.gz GSENLITTXUYUFT-QGZVFWFLSA-N 2 1 327.557 3.418 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCF)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001171618653 1384581827 /nfs/dbraw/zinc/58/18/27/1384581827.db2.gz LUJWPKPYDLZPOT-INIZCTEOSA-N 2 1 343.531 3.264 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)CC1(C)C ZINC001171631502 1384586222 /nfs/dbraw/zinc/58/62/22/1384586222.db2.gz JXJASNAJMKJJHI-INIZCTEOSA-N 2 1 336.442 3.417 20 0 EGADMP C[C@H]1C[C@H](N2CC3(C2)CC[NH+](CC2CC2)C3)C[N@H+]1Cc1ccccc1 ZINC001171747544 1384624417 /nfs/dbraw/zinc/62/44/17/1384624417.db2.gz BPJQLHVFCYYCAH-RXVVDRJESA-N 2 1 339.527 3.067 20 0 EGADMP C[C@H]1C[C@H](N2CC3(C2)CC[N@H+](CC2CC2)C3)C[NH+]1Cc1ccccc1 ZINC001171747544 1384624420 /nfs/dbraw/zinc/62/44/20/1384624420.db2.gz BPJQLHVFCYYCAH-RXVVDRJESA-N 2 1 339.527 3.067 20 0 EGADMP C[C@H]1C[C@H](N2CC3(C2)CC[N@@H+](CC2CC2)C3)C[NH+]1Cc1ccccc1 ZINC001171747544 1384624424 /nfs/dbraw/zinc/62/44/24/1384624424.db2.gz BPJQLHVFCYYCAH-RXVVDRJESA-N 2 1 339.527 3.067 20 0 EGADMP C[C@H]1C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171749179 1384625333 /nfs/dbraw/zinc/62/53/33/1384625333.db2.gz IRSOBHWLVPPGOU-NZQKXSOJSA-N 2 1 349.522 3.467 20 0 EGADMP C[C@H]1C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171749179 1384625339 /nfs/dbraw/zinc/62/53/39/1384625339.db2.gz IRSOBHWLVPPGOU-NZQKXSOJSA-N 2 1 349.522 3.467 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001171762366 1384628565 /nfs/dbraw/zinc/62/85/65/1384628565.db2.gz BCOYLTQKAYMJKE-KRWDZBQOSA-N 2 1 347.547 3.483 20 0 EGADMP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171825482 1384651940 /nfs/dbraw/zinc/65/19/40/1384651940.db2.gz DDNGAFUVWLHCDI-IRXDYDNUSA-N 2 1 348.535 3.073 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171907247 1384677291 /nfs/dbraw/zinc/67/72/91/1384677291.db2.gz QYRFYFAEACZQPP-HXUWFJFHSA-N 2 1 345.531 3.345 20 0 EGADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001171943987 1384691837 /nfs/dbraw/zinc/69/18/37/1384691837.db2.gz IWHBUXPQCOBINY-OHTSDLOESA-N 2 1 336.520 3.495 20 0 EGADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001171943987 1384691838 /nfs/dbraw/zinc/69/18/38/1384691838.db2.gz IWHBUXPQCOBINY-OHTSDLOESA-N 2 1 336.520 3.495 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171983458 1384704193 /nfs/dbraw/zinc/70/41/93/1384704193.db2.gz XJGIEXLVCGEVOK-NLWGTHIKSA-N 2 1 329.532 3.454 20 0 EGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171983458 1384704196 /nfs/dbraw/zinc/70/41/96/1384704196.db2.gz XJGIEXLVCGEVOK-NLWGTHIKSA-N 2 1 329.532 3.454 20 0 EGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171983458 1384704198 /nfs/dbraw/zinc/70/41/98/1384704198.db2.gz XJGIEXLVCGEVOK-NLWGTHIKSA-N 2 1 329.532 3.454 20 0 EGADMP C[NH+](C)[C@H]1CCCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985527 1384704452 /nfs/dbraw/zinc/70/44/52/1384704452.db2.gz XRMDDHDBWIUWIS-PMACEKPBSA-N 2 1 329.532 3.456 20 0 EGADMP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063757 1384715095 /nfs/dbraw/zinc/71/50/95/1384715095.db2.gz CHGIHOOMHZFSOD-WHZJULEDSA-N 2 1 328.500 3.465 20 0 EGADMP COC(=O)[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067783 1384716693 /nfs/dbraw/zinc/71/66/93/1384716693.db2.gz FPETYVIDVDTSDC-ZRNYENFQSA-N 2 1 342.483 3.067 20 0 EGADMP COC(=O)[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172067783 1384716696 /nfs/dbraw/zinc/71/66/96/1384716696.db2.gz FPETYVIDVDTSDC-ZRNYENFQSA-N 2 1 342.483 3.067 20 0 EGADMP COC(=O)[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067783 1384716700 /nfs/dbraw/zinc/71/67/00/1384716700.db2.gz FPETYVIDVDTSDC-ZRNYENFQSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@]1(O)CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172074297 1384720461 /nfs/dbraw/zinc/72/04/61/1384720461.db2.gz GYPXHAAHAKZLNS-PLACYPQZSA-N 2 1 328.500 3.419 20 0 EGADMP C[C@@]1(O)CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172074297 1384720469 /nfs/dbraw/zinc/72/04/69/1384720469.db2.gz GYPXHAAHAKZLNS-PLACYPQZSA-N 2 1 328.500 3.419 20 0 EGADMP C[C@@]1(O)CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172074297 1384720471 /nfs/dbraw/zinc/72/04/71/1384720471.db2.gz GYPXHAAHAKZLNS-PLACYPQZSA-N 2 1 328.500 3.419 20 0 EGADMP C[C@@]1(O)CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172074297 1384720476 /nfs/dbraw/zinc/72/04/76/1384720476.db2.gz GYPXHAAHAKZLNS-PLACYPQZSA-N 2 1 328.500 3.419 20 0 EGADMP CCC[N@@H+](CCC[NH3+])[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172078513 1384721215 /nfs/dbraw/zinc/72/12/15/1384721215.db2.gz CAMVWIZXHCCYAL-BJWYYQGGSA-N 2 1 339.524 3.368 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]CCc2ccncn2)C3)cc1 ZINC001172079554 1384721263 /nfs/dbraw/zinc/72/12/63/1384721263.db2.gz PDWUFUKEDACIQA-MZADTFQBSA-N 2 1 336.483 3.194 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC([NH3+])(c3cccc(F)c3)CC1)C2 ZINC001172107691 1384728166 /nfs/dbraw/zinc/72/81/66/1384728166.db2.gz ATMAPRCECLNSPL-BWTSREIZSA-N 2 1 331.479 3.091 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC([NH3+])(Cc3cccc(F)c3)CC1)C2 ZINC001172110613 1384729744 /nfs/dbraw/zinc/72/97/44/1384729744.db2.gz KXGMTHYZVUNPMB-PMOLBWCYSA-N 2 1 345.506 3.177 20 0 EGADMP CCOc1ccccc1N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172113748 1384730967 /nfs/dbraw/zinc/73/09/67/1384730967.db2.gz LGJUCTZRDXBFIH-REPLKXPHSA-N 2 1 343.515 3.223 20 0 EGADMP CCOc1ccccc1N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172113748 1384730968 /nfs/dbraw/zinc/73/09/68/1384730968.db2.gz LGJUCTZRDXBFIH-REPLKXPHSA-N 2 1 343.515 3.223 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)C2 ZINC001172118814 1384732499 /nfs/dbraw/zinc/73/24/99/1384732499.db2.gz TTYJOFAPGHHHQI-ZOFXXKQRSA-N 2 1 337.508 3.037 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)C2 ZINC001172118814 1384732505 /nfs/dbraw/zinc/73/25/05/1384732505.db2.gz TTYJOFAPGHHHQI-ZOFXXKQRSA-N 2 1 337.508 3.037 20 0 EGADMP COc1ccccc1O[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121750 1384733938 /nfs/dbraw/zinc/73/39/38/1384733938.db2.gz LXBUEWHJIQDWHR-VSZNYVQBSA-N 2 1 330.472 3.164 20 0 EGADMP COc1ccccc1O[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172121750 1384733940 /nfs/dbraw/zinc/73/39/40/1384733940.db2.gz LXBUEWHJIQDWHR-VSZNYVQBSA-N 2 1 330.472 3.164 20 0 EGADMP COc1ccccc1O[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121750 1384733943 /nfs/dbraw/zinc/73/39/43/1384733943.db2.gz LXBUEWHJIQDWHR-VSZNYVQBSA-N 2 1 330.472 3.164 20 0 EGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127362 1384736747 /nfs/dbraw/zinc/73/67/47/1384736747.db2.gz IPYOTYDJGJFEHO-KJJMTIBFSA-N 2 1 341.543 3.456 20 0 EGADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127362 1384736749 /nfs/dbraw/zinc/73/67/49/1384736749.db2.gz IPYOTYDJGJFEHO-KJJMTIBFSA-N 2 1 341.543 3.456 20 0 EGADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127362 1384736753 /nfs/dbraw/zinc/73/67/53/1384736753.db2.gz IPYOTYDJGJFEHO-KJJMTIBFSA-N 2 1 341.543 3.456 20 0 EGADMP CC(=O)OC[C@H]1CCC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172130418 1384737898 /nfs/dbraw/zinc/73/78/98/1384737898.db2.gz PBFIOCKENPIRHD-HAGHYFMRSA-N 2 1 348.531 3.447 20 0 EGADMP Cc1cccnc1O[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172133592 1384738727 /nfs/dbraw/zinc/73/87/27/1384738727.db2.gz TXFWZXRJOBSRRI-YDZRNGNQSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1cccnc1O[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172133592 1384738730 /nfs/dbraw/zinc/73/87/30/1384738730.db2.gz TXFWZXRJOBSRRI-YDZRNGNQSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1cccnc1O[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172133592 1384738732 /nfs/dbraw/zinc/73/87/32/1384738732.db2.gz TXFWZXRJOBSRRI-YDZRNGNQSA-N 2 1 329.488 3.249 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4C[C@H]5CC[C@@H](C4)O5)[C@H]3C2)cc1 ZINC001172218550 1384749999 /nfs/dbraw/zinc/74/99/99/1384749999.db2.gz XNNRPWVNEKJGLJ-RPISWGOISA-N 2 1 326.484 3.197 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4C[C@H]5CC[C@@H](C4)O5)[C@H]3C2)cc1 ZINC001172218549 1384750149 /nfs/dbraw/zinc/75/01/49/1384750149.db2.gz XNNRPWVNEKJGLJ-ANSZIFSMSA-N 2 1 326.484 3.197 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H](Sc3ccncc3)C2)CC1 ZINC001172255958 1384756489 /nfs/dbraw/zinc/75/64/89/1384756489.db2.gz PQRCIPUXWNAVDE-LJQANCHMSA-N 2 1 349.544 3.139 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H](Sc3ccncc3)C2)CC1 ZINC001172255958 1384756492 /nfs/dbraw/zinc/75/64/92/1384756492.db2.gz PQRCIPUXWNAVDE-LJQANCHMSA-N 2 1 349.544 3.139 20 0 EGADMP C[C@@H]1CC[C@@H]([N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)C[C@H]1C ZINC001172376251 1384780541 /nfs/dbraw/zinc/78/05/41/1384780541.db2.gz UFLQMEFNPJUELO-KZNAEPCWSA-N 2 1 330.520 3.162 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)CCOC(C)C)cc2)CC1 ZINC001172447275 1384794152 /nfs/dbraw/zinc/79/41/52/1384794152.db2.gz HQLLVZZQKRXAID-LJQANCHMSA-N 2 1 347.547 3.117 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@H](C[N@@H+](C)CCCC3CCC3)C2)CCC1 ZINC001317036367 1384806675 /nfs/dbraw/zinc/80/66/75/1384806675.db2.gz DVRQZWKTRROILS-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172602111 1384817227 /nfs/dbraw/zinc/81/72/27/1384817227.db2.gz GNPDGGBYGJUORU-NCXUSEDFSA-N 2 1 336.520 3.480 20 0 EGADMP [NH3+]C1(Cc2cccnc2)CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172711170 1384834389 /nfs/dbraw/zinc/83/43/89/1384834389.db2.gz AKJXKSILBZPUHY-IBGZPJMESA-N 2 1 341.886 3.238 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172721449 1384837849 /nfs/dbraw/zinc/83/78/49/1384837849.db2.gz FTKRRMMFEDJSBH-FQEVSTJZSA-N 2 1 349.950 3.157 20 0 EGADMP CC(C)OC(=O)CC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172758666 1384844705 /nfs/dbraw/zinc/84/47/05/1384844705.db2.gz JCHTXIJOKUHBMU-YSIASYRMSA-N 2 1 344.499 3.171 20 0 EGADMP CC(C)OC(=O)CC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172758666 1384844707 /nfs/dbraw/zinc/84/47/07/1384844707.db2.gz JCHTXIJOKUHBMU-YSIASYRMSA-N 2 1 344.499 3.171 20 0 EGADMP CC(C)OC(=O)CC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172758666 1384844708 /nfs/dbraw/zinc/84/47/08/1384844708.db2.gz JCHTXIJOKUHBMU-YSIASYRMSA-N 2 1 344.499 3.171 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)C1CCCCC1 ZINC001317083408 1384846783 /nfs/dbraw/zinc/84/67/83/1384846783.db2.gz WZBFCJCBDQEZMJ-WGSAOQKQSA-N 2 1 349.563 3.458 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001172780012 1384850607 /nfs/dbraw/zinc/85/06/07/1384850607.db2.gz QUEJFNCITYGZQE-QRVBRYPASA-N 2 1 336.520 3.353 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001172780012 1384850609 /nfs/dbraw/zinc/85/06/09/1384850609.db2.gz QUEJFNCITYGZQE-QRVBRYPASA-N 2 1 336.520 3.353 20 0 EGADMP C[C@@H]1CC[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC001173067570 1384905713 /nfs/dbraw/zinc/90/57/13/1384905713.db2.gz BWMNCHHDKUQZRH-WBVHZDCISA-N 2 1 339.524 3.048 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173075832 1384908474 /nfs/dbraw/zinc/90/84/74/1384908474.db2.gz LRMGYMPNMFIMLK-IRXDYDNUSA-N 2 1 341.540 3.438 20 0 EGADMP CCCOC1CCC([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173096206 1384913238 /nfs/dbraw/zinc/91/32/38/1384913238.db2.gz WXFWBTNLELIXNR-USZBZKHASA-N 2 1 338.536 3.475 20 0 EGADMP CCOC[C@@H]1Cn2nccc2C[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173111444 1384916934 /nfs/dbraw/zinc/91/69/34/1384916934.db2.gz XVSNPEVMPFVLCP-VIQWUECVSA-N 2 1 348.535 3.004 20 0 EGADMP COc1cccc2c1C[C@H]([N@@H+](C)CC1CC[NH+](C(C)C)CC1)CO2 ZINC001173160912 1384927534 /nfs/dbraw/zinc/92/75/34/1384927534.db2.gz MMNACSPBPVGFQL-KRWDZBQOSA-N 2 1 332.488 3.051 20 0 EGADMP CC[C@H]1CC[C@H]([N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001173281357 1384951389 /nfs/dbraw/zinc/95/13/89/1384951389.db2.gz XXVZOLOGNRWYLX-ROUUACIJSA-N 2 1 330.520 3.306 20 0 EGADMP CCSC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001173286929 1384952102 /nfs/dbraw/zinc/95/21/02/1384952102.db2.gz DSIRBJVWEMVYLS-KRWDZBQOSA-N 2 1 335.561 3.055 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173479309 1384977991 /nfs/dbraw/zinc/97/79/91/1384977991.db2.gz GVXPEEUDSOSGTF-UHFFFAOYSA-N 2 1 343.421 3.374 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)C1 ZINC001173637991 1384993805 /nfs/dbraw/zinc/99/38/05/1384993805.db2.gz DQLMLQZBTDZHMI-SJORKVTESA-N 2 1 345.487 3.051 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173677485 1385001651 /nfs/dbraw/zinc/00/16/51/1385001651.db2.gz AIXKMYDBTDVRAM-ANQUJSFKSA-N 2 1 339.524 3.093 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173677485 1385001656 /nfs/dbraw/zinc/00/16/56/1385001656.db2.gz AIXKMYDBTDVRAM-ANQUJSFKSA-N 2 1 339.524 3.093 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001173722499 1385009090 /nfs/dbraw/zinc/00/90/90/1385009090.db2.gz SJUHAWMNPAPNME-QFBILLFUSA-N 2 1 344.499 3.401 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC001173722499 1385009093 /nfs/dbraw/zinc/00/90/93/1385009093.db2.gz SJUHAWMNPAPNME-QFBILLFUSA-N 2 1 344.499 3.401 20 0 EGADMP COc1cc(N2CC[NH+](C)CC2)ccc1Nc1cc[nH+]c2ccccc12 ZINC001174038017 1385048447 /nfs/dbraw/zinc/04/84/47/1385048447.db2.gz DHJFCVQGOGBEJR-UHFFFAOYSA-N 2 1 348.450 3.161 20 0 EGADMP CCC[N@@H+]1CCc2c(N)sc(Nc3ccc4[nH+]ccn4c3)c2C1 ZINC001174277786 1385090765 /nfs/dbraw/zinc/09/07/65/1385090765.db2.gz BBNTUHGELFLGOV-UHFFFAOYSA-N 2 1 327.457 3.490 20 0 EGADMP CCC[N@H+]1CCc2c(N)sc(Nc3ccc4[nH+]ccn4c3)c2C1 ZINC001174277786 1385090767 /nfs/dbraw/zinc/09/07/67/1385090767.db2.gz BBNTUHGELFLGOV-UHFFFAOYSA-N 2 1 327.457 3.490 20 0 EGADMP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174906726 1385168559 /nfs/dbraw/zinc/16/85/59/1385168559.db2.gz WWMBDNJCDBKXIL-CXLYAGSJSA-N 2 1 337.552 3.338 20 0 EGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001174930271 1385171351 /nfs/dbraw/zinc/17/13/51/1385171351.db2.gz WOCXEQAXRVFQBX-FUHWJXTLSA-N 2 1 348.535 3.209 20 0 EGADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175264671 1385234586 /nfs/dbraw/zinc/23/45/86/1385234586.db2.gz UJQJRNAWJUEENY-LPHOPBHVSA-N 2 1 343.531 3.120 20 0 EGADMP CCC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)Cc1cccc(C)c1 ZINC001317545215 1385290618 /nfs/dbraw/zinc/29/06/18/1385290618.db2.gz WOBYJYTXJNZAPY-UHFFFAOYSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CC1CC1 ZINC001317547935 1385300744 /nfs/dbraw/zinc/30/07/44/1385300744.db2.gz QBSHVNMOANGIJS-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)CC1CC1 ZINC001317547935 1385300749 /nfs/dbraw/zinc/30/07/49/1385300749.db2.gz QBSHVNMOANGIJS-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)CC1CC1 ZINC001317547935 1385300754 /nfs/dbraw/zinc/30/07/54/1385300754.db2.gz QBSHVNMOANGIJS-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCc2ncc(NC3=CC[NH+](Cc4ccccc4)CC3)cc2C1 ZINC001175505616 1385315434 /nfs/dbraw/zinc/31/54/34/1385315434.db2.gz VSJRXSAIRLVUTL-UHFFFAOYSA-N 2 1 334.467 3.271 20 0 EGADMP C[NH+]1CCc2ncc(NC3=CC[N@H+](Cc4ccccc4)CC3)cc2C1 ZINC001175505616 1385315438 /nfs/dbraw/zinc/31/54/38/1385315438.db2.gz VSJRXSAIRLVUTL-UHFFFAOYSA-N 2 1 334.467 3.271 20 0 EGADMP C[NH+]1CCc2ncc(NC3=CC[N@@H+](Cc4ccccc4)CC3)cc2C1 ZINC001175505616 1385315442 /nfs/dbraw/zinc/31/54/42/1385315442.db2.gz VSJRXSAIRLVUTL-UHFFFAOYSA-N 2 1 334.467 3.271 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001317554191 1385317888 /nfs/dbraw/zinc/31/78/88/1385317888.db2.gz UUNMYWISSYYRIZ-VQTJNVASSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001317554191 1385317891 /nfs/dbraw/zinc/31/78/91/1385317891.db2.gz UUNMYWISSYYRIZ-VQTJNVASSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001317554191 1385317895 /nfs/dbraw/zinc/31/78/95/1385317895.db2.gz UUNMYWISSYYRIZ-VQTJNVASSA-N 2 1 343.515 3.203 20 0 EGADMP C[NH+]1CCC(COc2ccc(NC3=CCC[N@@H+](C)C3)cc2F)CC1 ZINC001175582469 1385339955 /nfs/dbraw/zinc/33/99/55/1385339955.db2.gz DGTIZKOCTQIBDT-UHFFFAOYSA-N 2 1 333.451 3.178 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC1 ZINC001175739528 1385391914 /nfs/dbraw/zinc/39/19/14/1385391914.db2.gz QAOQKZYNTXNDFO-KRWDZBQOSA-N 2 1 325.541 3.173 20 0 EGADMP CCc1ccc(C)[nH+]c1Nc1ccc(C(=O)NCCC[NH+](C)C)cc1 ZINC001175820892 1385413399 /nfs/dbraw/zinc/41/33/99/1385413399.db2.gz XYSBEAZLKJUBOO-UHFFFAOYSA-N 2 1 340.471 3.378 20 0 EGADMP CCc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)CC)c1 ZINC001176024502 1385464072 /nfs/dbraw/zinc/46/40/72/1385464072.db2.gz PDWOPNSOOHBGSQ-GOSISDBHSA-N 2 1 347.547 3.355 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001176024738 1385464215 /nfs/dbraw/zinc/46/42/15/1385464215.db2.gz RENHJCARIMFRKH-KRWDZBQOSA-N 2 1 325.541 3.173 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCc1ccc(C)cc1 ZINC001176025201 1385464760 /nfs/dbraw/zinc/46/47/60/1385464760.db2.gz ZDSWVVYNAVVRJN-IBGZPJMESA-N 2 1 347.547 3.144 20 0 EGADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001176120139 1385489590 /nfs/dbraw/zinc/48/95/90/1385489590.db2.gz JLQVFVAQUJYNAQ-MJGOQNOKSA-N 2 1 333.520 3.354 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC1=CCCCC1 ZINC001176269243 1385532452 /nfs/dbraw/zinc/53/24/52/1385532452.db2.gz SLEGKGQBACKSGZ-SFHVURJKSA-N 2 1 337.552 3.483 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001317856908 1385541894 /nfs/dbraw/zinc/54/18/94/1385541894.db2.gz KPXXQRNXOHUKRS-UYAOXDASSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001317856908 1385541897 /nfs/dbraw/zinc/54/18/97/1385541897.db2.gz KPXXQRNXOHUKRS-UYAOXDASSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001317856908 1385541901 /nfs/dbraw/zinc/54/19/01/1385541901.db2.gz KPXXQRNXOHUKRS-UYAOXDASSA-N 2 1 345.531 3.260 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)c1 ZINC001318281088 1385639943 /nfs/dbraw/zinc/63/99/43/1385639943.db2.gz DUJCBFWWQHZRTQ-MJGOQNOKSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)c1 ZINC001318281088 1385639946 /nfs/dbraw/zinc/63/99/46/1385639946.db2.gz DUJCBFWWQHZRTQ-MJGOQNOKSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)c1 ZINC001318281088 1385639948 /nfs/dbraw/zinc/63/99/48/1385639948.db2.gz DUJCBFWWQHZRTQ-MJGOQNOKSA-N 2 1 345.531 3.224 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CCC(C)CC1 ZINC001176753268 1385684489 /nfs/dbraw/zinc/68/44/89/1385684489.db2.gz DOIFKTVTTRJJMR-JLAWEPINSA-N 2 1 339.568 3.418 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001318630357 1385804980 /nfs/dbraw/zinc/80/49/80/1385804980.db2.gz SHMXGJDVVANDIO-CVEARBPZSA-N 2 1 334.533 3.158 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001318630357 1385804985 /nfs/dbraw/zinc/80/49/85/1385804985.db2.gz SHMXGJDVVANDIO-CVEARBPZSA-N 2 1 334.533 3.158 20 0 EGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)ccc(Br)c2F)C1 ZINC001177318859 1385912275 /nfs/dbraw/zinc/91/22/75/1385912275.db2.gz FWUSIXWTHDZCQB-LBPRGKRZSA-N 2 1 329.257 3.328 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)ccc(Br)c2F)C1 ZINC001177318859 1385912283 /nfs/dbraw/zinc/91/22/83/1385912283.db2.gz FWUSIXWTHDZCQB-LBPRGKRZSA-N 2 1 329.257 3.328 20 0 EGADMP CC1CCC(C[NH2+]CCCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001177344889 1385922521 /nfs/dbraw/zinc/92/25/21/1385922521.db2.gz ZYEDQCOYDIIVEZ-UHFFFAOYSA-N 2 1 345.531 3.041 20 0 EGADMP CC1CCC(C[NH2+]CCCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001177344889 1385922524 /nfs/dbraw/zinc/92/25/24/1385922524.db2.gz ZYEDQCOYDIIVEZ-UHFFFAOYSA-N 2 1 345.531 3.041 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CCC[NH2+]CC[C@@H](C)F)CC1CCCC1 ZINC001177466912 1385966967 /nfs/dbraw/zinc/96/69/67/1385966967.db2.gz KGVODAVSTVGLDA-QGZVFWFLSA-N 2 1 343.531 3.075 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001177488758 1385975730 /nfs/dbraw/zinc/97/57/30/1385975730.db2.gz KZYUEAMQLNMFQA-HXUWFJFHSA-N 2 1 345.531 3.308 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)C(C)C ZINC001177488762 1385976037 /nfs/dbraw/zinc/97/60/37/1385976037.db2.gz LLYBUNRFMXEBOT-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC001178267605 1386176669 /nfs/dbraw/zinc/17/66/69/1386176669.db2.gz MPGHVKMEEJHKLU-SFHVURJKSA-N 2 1 326.488 3.015 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001319575686 1386187354 /nfs/dbraw/zinc/18/73/54/1386187354.db2.gz ZOOHCLSKYHXNJO-ZIAGYGMSSA-N 2 1 348.878 3.043 20 0 EGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178484067 1386231834 /nfs/dbraw/zinc/23/18/34/1386231834.db2.gz NSKMCWVKHQOXER-FMEUAVTJSA-N 2 1 349.563 3.483 20 0 EGADMP CC(C)C[NH2+]CCCCCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001178693655 1386280315 /nfs/dbraw/zinc/28/03/15/1386280315.db2.gz ZUMROPCBBHVHGA-GOSISDBHSA-N 2 1 325.541 3.172 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001178729442 1386291845 /nfs/dbraw/zinc/29/18/45/1386291845.db2.gz YDFNZLDZCMMLML-IBGZPJMESA-N 2 1 337.552 3.317 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCCC3CCCC3)[C@@H]2C)CC[N@H+]1C ZINC001178736086 1386292901 /nfs/dbraw/zinc/29/29/01/1386292901.db2.gz NIIMQOGTDJRFLG-FRYIKTPZSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001319810705 1386308479 /nfs/dbraw/zinc/30/84/79/1386308479.db2.gz SCMBVXPEBNVDES-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001178810348 1386314543 /nfs/dbraw/zinc/31/45/43/1386314543.db2.gz CUQPKDBKVKQLAR-OALUTQOASA-N 2 1 335.536 3.236 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CCCC2CCC2)[C@@H]1C ZINC001178891417 1386340593 /nfs/dbraw/zinc/34/05/93/1386340593.db2.gz SAHFUTJSEVPURJ-SXLOBPIMSA-N 2 1 349.563 3.409 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCCCCC[NH2+]CC1CCCCCC1 ZINC001179029994 1386382123 /nfs/dbraw/zinc/38/21/23/1386382123.db2.gz ZTEMZFUIGIVXAB-UHFFFAOYSA-N 2 1 348.535 3.428 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCCCCC[NH2+]CC1CCC(C)CC1 ZINC001179029952 1386382283 /nfs/dbraw/zinc/38/22/83/1386382283.db2.gz XWVPBYJRFVFYSN-UHFFFAOYSA-N 2 1 348.535 3.284 20 0 EGADMP Cc1cc(C[NH2+]CCCCCCNC(=O)Cn2c[nH+]cc2C)cs1 ZINC001179029923 1386382529 /nfs/dbraw/zinc/38/25/29/1386382529.db2.gz WLWBILCZRVMNGF-UHFFFAOYSA-N 2 1 348.516 3.028 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]C[C@@H](F)CC)C1 ZINC001179357756 1386461855 /nfs/dbraw/zinc/46/18/55/1386461855.db2.gz KUYATKHGLTWLJI-ROUUACIJSA-N 2 1 343.531 3.123 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCCCCCC[NH2+]CCCC2CCC2)C1 ZINC001179587208 1386524030 /nfs/dbraw/zinc/52/40/30/1386524030.db2.gz XKGAWGIGARNJJK-SFHVURJKSA-N 2 1 337.552 3.175 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001179593169 1386526318 /nfs/dbraw/zinc/52/63/18/1386526318.db2.gz YMILHAMDCSVICC-UHFFFAOYSA-N 2 1 325.541 3.175 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001179591221 1386526110 /nfs/dbraw/zinc/52/61/10/1386526110.db2.gz PZHBIVSNSYYDAC-HKUYNNGSSA-N 2 1 337.552 3.031 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)[C@@H]1C ZINC001179986602 1386659310 /nfs/dbraw/zinc/65/93/10/1386659310.db2.gz BBAVMYQAMCBRNY-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]Cc1cc(C)ccc1C ZINC001180121374 1386703373 /nfs/dbraw/zinc/70/33/73/1386703373.db2.gz MTZDEGCMHVOZRY-UHFFFAOYSA-N 2 1 347.547 3.411 20 0 EGADMP C[C@H](CCC(F)(F)F)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001180310418 1386761033 /nfs/dbraw/zinc/76/10/33/1386761033.db2.gz GZABXPDMUSZAML-RHSMWYFYSA-N 2 1 344.421 3.464 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001321472390 1386911825 /nfs/dbraw/zinc/91/18/25/1386911825.db2.gz SHRXVZJDCVOKPV-HXUWFJFHSA-N 2 1 345.531 3.361 20 0 EGADMP CN(C)c1nc(Cl)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC001181514750 1387007530 /nfs/dbraw/zinc/00/75/30/1387007530.db2.gz NIOFHRDHNSYKBJ-CYBMUJFWSA-N 2 1 342.940 3.026 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001181727687 1387046331 /nfs/dbraw/zinc/04/63/31/1387046331.db2.gz BQRHNIKZSDJSQG-SLYNCCJLSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001698693849 1406337688 /nfs/dbraw/zinc/33/76/88/1406337688.db2.gz FNEQCVAEKQEDDW-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[N@@H+](C)CCC(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC001181863332 1387065373 /nfs/dbraw/zinc/06/53/73/1387065373.db2.gz ODDYSTPNHDWXCP-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP CCCCC[N@H+](C)CCC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC001181863332 1387065377 /nfs/dbraw/zinc/06/53/77/1387065377.db2.gz ODDYSTPNHDWXCP-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP CCCCC[N@@H+](C)CCC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC001181863332 1387065382 /nfs/dbraw/zinc/06/53/82/1387065382.db2.gz ODDYSTPNHDWXCP-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP CCCCC[NH+](C)CCC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC001181863332 1387065388 /nfs/dbraw/zinc/06/53/88/1387065388.db2.gz ODDYSTPNHDWXCP-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP CCCCC[NH+](C)CCC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001181863332 1387065392 /nfs/dbraw/zinc/06/53/92/1387065392.db2.gz ODDYSTPNHDWXCP-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP CCCC[N@H+](CC)[C@@H](C(=O)NCCn1cc[nH+]c1C)c1ccccc1 ZINC001182234392 1387128222 /nfs/dbraw/zinc/12/82/22/1387128222.db2.gz IAGQNKUTQOOINY-LJQANCHMSA-N 2 1 342.487 3.171 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C(=O)NCCn1cc[nH+]c1C)c1ccccc1 ZINC001182234392 1387128225 /nfs/dbraw/zinc/12/82/25/1387128225.db2.gz IAGQNKUTQOOINY-LJQANCHMSA-N 2 1 342.487 3.171 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C(=O)NCC[C@H]1CCC[NH+]1C)c1ccccc1 ZINC001182236546 1387129280 /nfs/dbraw/zinc/12/92/80/1387129280.db2.gz ROUGSCRPOVFORG-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+](CC)[C@@H](C(=O)NCC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001182236546 1387129284 /nfs/dbraw/zinc/12/92/84/1387129284.db2.gz ROUGSCRPOVFORG-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+](CC)[C@@H](C(=O)NCC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001182236546 1387129285 /nfs/dbraw/zinc/12/92/85/1387129285.db2.gz ROUGSCRPOVFORG-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP CC(C)C[NH2+]C[C@]1(C)CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001182807853 1387228106 /nfs/dbraw/zinc/22/81/06/1387228106.db2.gz ZBODGDSHGJYHLS-YLJYHZDGSA-N 2 1 348.535 3.127 20 0 EGADMP CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001182814450 1387229149 /nfs/dbraw/zinc/22/91/49/1387229149.db2.gz WATCNFINXFUWSK-QWFCFKBJSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(C)C)C1 ZINC001182917552 1387246388 /nfs/dbraw/zinc/24/63/88/1387246388.db2.gz OTKDZYDVUGJJNJ-UYAOXDASSA-N 2 1 339.568 3.229 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC001336779183 1389167279 /nfs/dbraw/zinc/16/72/79/1389167279.db2.gz IGLUODSFMWTTHQ-BLLLJJGKSA-N 2 1 328.859 3.223 20 0 EGADMP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@@H+](C)CC1CCCCC1 ZINC001329623136 1389188925 /nfs/dbraw/zinc/18/89/25/1389188925.db2.gz IFPITVIDACZADO-QGZVFWFLSA-N 2 1 345.531 3.379 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)C[C@H]2C1 ZINC001336888624 1389196755 /nfs/dbraw/zinc/19/67/55/1389196755.db2.gz KNFDDVOJLUAUOX-SQWLQELKSA-N 2 1 330.501 3.300 20 0 EGADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]2CCCC[C@H]12 ZINC001330545464 1389451126 /nfs/dbraw/zinc/45/11/26/1389451126.db2.gz VXCXUQXLCZTMLZ-VTYCOLDWSA-N 2 1 349.563 3.170 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC001338491652 1389694497 /nfs/dbraw/zinc/69/44/97/1389694497.db2.gz LFGQUJXZNULFQE-CZUORRHYSA-N 2 1 344.421 3.449 20 0 EGADMP CCc1cccc(C[N@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c1 ZINC001332201204 1390038225 /nfs/dbraw/zinc/03/82/25/1390038225.db2.gz VXEVNLRHMIWYDI-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC001332612036 1390140632 /nfs/dbraw/zinc/14/06/32/1390140632.db2.gz HCEHPDCNMSTMDU-BHUNQDJPSA-N 2 1 339.524 3.142 20 0 EGADMP C[N@@H+](Cc1ccc(O)c(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001333681517 1390373450 /nfs/dbraw/zinc/37/34/50/1390373450.db2.gz UCYZZOKVUAPDQJ-GOSISDBHSA-N 2 1 328.431 3.485 20 0 EGADMP C[N@H+](Cc1ccc(O)c(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001333681517 1390373453 /nfs/dbraw/zinc/37/34/53/1390373453.db2.gz UCYZZOKVUAPDQJ-GOSISDBHSA-N 2 1 328.431 3.485 20 0 EGADMP C[NH+](Cc1ccc(O)c(F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001333681517 1390373457 /nfs/dbraw/zinc/37/34/57/1390373457.db2.gz UCYZZOKVUAPDQJ-GOSISDBHSA-N 2 1 328.431 3.485 20 0 EGADMP C[NH+](Cc1ccc(O)c(F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001333681517 1390373459 /nfs/dbraw/zinc/37/34/59/1390373459.db2.gz UCYZZOKVUAPDQJ-GOSISDBHSA-N 2 1 328.431 3.485 20 0 EGADMP CC1(C)OC[C@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC001333777391 1390399156 /nfs/dbraw/zinc/39/91/56/1390399156.db2.gz TVQPEGNMIYPCSY-NXEWRWPSSA-N 2 1 344.499 3.313 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC001340912928 1390402803 /nfs/dbraw/zinc/40/28/03/1390402803.db2.gz WDVHMADDWCSIMH-GOEBONIOSA-N 2 1 333.476 3.036 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC001340912928 1390402804 /nfs/dbraw/zinc/40/28/04/1390402804.db2.gz WDVHMADDWCSIMH-GOEBONIOSA-N 2 1 333.476 3.036 20 0 EGADMP COc1cc(OC)c(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1F ZINC001334356271 1390524276 /nfs/dbraw/zinc/52/42/76/1390524276.db2.gz KTISPBVMORFCCA-DZKIICNBSA-N 2 1 336.451 3.005 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)N1C[C@H](CC[NH3+])c2ccccc21)c1ccccc1 ZINC001342297978 1390597505 /nfs/dbraw/zinc/59/75/05/1390597505.db2.gz BYEDDWNUVUNZCR-FXAWDEMLSA-N 2 1 337.467 3.159 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1C[C@H](CC[NH3+])c2ccccc21)c1ccccc1 ZINC001342297978 1390597508 /nfs/dbraw/zinc/59/75/08/1390597508.db2.gz BYEDDWNUVUNZCR-FXAWDEMLSA-N 2 1 337.467 3.159 20 0 EGADMP Cn1ncc(C[N@H+](C)C2CCN(Cc3ccccc3)CC2)c1C1CC1 ZINC001334900598 1390616371 /nfs/dbraw/zinc/61/63/71/1390616371.db2.gz ADFARUKUHYIBQP-UHFFFAOYSA-N 2 1 338.499 3.394 20 0 EGADMP Cn1ncc(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)c1C1CC1 ZINC001334900598 1390616372 /nfs/dbraw/zinc/61/63/72/1390616372.db2.gz ADFARUKUHYIBQP-UHFFFAOYSA-N 2 1 338.499 3.394 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc([C@H]4CCCO4)s3)C[C@@H]2C1 ZINC001335133198 1390646665 /nfs/dbraw/zinc/64/66/65/1390646665.db2.gz DQCONCTXWBQZJG-JYYAWHABSA-N 2 1 335.517 3.157 20 0 EGADMP C[C@H](CC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC001343021166 1390684652 /nfs/dbraw/zinc/68/46/52/1390684652.db2.gz HZPKBWVAMSWVOY-CVEARBPZSA-N 2 1 330.476 3.036 20 0 EGADMP Cn1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(C2CCCC2)n1 ZINC001335582965 1390706052 /nfs/dbraw/zinc/70/60/52/1390706052.db2.gz OSCQVYGUPLGVOJ-YQVWRLOYSA-N 2 1 330.520 3.240 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CN3CC[C@H](C4CCCCC4)C3=O)C[C@@H]2C1 ZINC001345108836 1390838018 /nfs/dbraw/zinc/83/80/18/1390838018.db2.gz OSTRWVVPVVJTGU-IYWMVGAKSA-N 2 1 347.547 3.035 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC2CCCCCC2)CCCC1 ZINC001698806781 1406488874 /nfs/dbraw/zinc/48/88/74/1406488874.db2.gz JQEQZBNWFDQZEM-UHFFFAOYSA-N 2 1 337.552 3.317 20 0 EGADMP CC(C)c1[nH+]ccn1CC[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC001353238263 1391969996 /nfs/dbraw/zinc/96/99/96/1391969996.db2.gz DTUULETXZMOMQK-OAHLLOKOSA-N 2 1 341.377 3.349 20 0 EGADMP CC(C)c1[nH+]ccn1CC[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC001353238261 1391970098 /nfs/dbraw/zinc/97/00/98/1391970098.db2.gz DTUULETXZMOMQK-HNNXBMFYSA-N 2 1 341.377 3.349 20 0 EGADMP Cc1ccc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001698845544 1406546255 /nfs/dbraw/zinc/54/62/55/1406546255.db2.gz KUOZOZOXPGJFBQ-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2C[N@@H+](C(C)C)CC[C@@H]2C1 ZINC001479673208 1392314087 /nfs/dbraw/zinc/31/40/87/1392314087.db2.gz WTQSZFATYAQAQD-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001479895875 1392464669 /nfs/dbraw/zinc/46/46/69/1392464669.db2.gz CFPAKZHAPRJVQH-HXUWFJFHSA-N 2 1 343.515 3.012 20 0 EGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001479907340 1392474991 /nfs/dbraw/zinc/47/49/91/1392474991.db2.gz VDAWEGJSOWFVPM-IBGZPJMESA-N 2 1 345.531 3.175 20 0 EGADMP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001479964404 1392499685 /nfs/dbraw/zinc/49/96/85/1392499685.db2.gz VGCRKFRVNZIYJE-JKSUJKDBSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@@H](c1ccccc1F)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001479964404 1392499686 /nfs/dbraw/zinc/49/96/86/1392499686.db2.gz VGCRKFRVNZIYJE-JKSUJKDBSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@@H](c1ccccc1F)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001479964404 1392499689 /nfs/dbraw/zinc/49/96/89/1392499689.db2.gz VGCRKFRVNZIYJE-JKSUJKDBSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@@H](c1ccccc1F)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001479964404 1392499691 /nfs/dbraw/zinc/49/96/91/1392499691.db2.gz VGCRKFRVNZIYJE-JKSUJKDBSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001480088689 1392578939 /nfs/dbraw/zinc/57/89/39/1392578939.db2.gz BYGPJIZZLUVJCA-KRWDZBQOSA-N 2 1 349.519 3.315 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1c(C)cccc1C)[NH+](C)C ZINC001480333349 1392692688 /nfs/dbraw/zinc/69/26/88/1392692688.db2.gz RMOVDPGGLBDGPP-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[C@@H]([NH2+][C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1 ZINC001480538243 1392784314 /nfs/dbraw/zinc/78/43/14/1392784314.db2.gz WCZMEDZVHMHDLJ-FUHWJXTLSA-N 2 1 333.520 3.210 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@H]([N@@H+](C)CCCC(C)(C)C)C2)CCC1 ZINC001480729665 1392892407 /nfs/dbraw/zinc/89/24/07/1392892407.db2.gz FXMSQOACTNMNLK-KRWDZBQOSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001480920478 1393020749 /nfs/dbraw/zinc/02/07/49/1393020749.db2.gz QXAFPLZWAPUZMQ-AZUAARDMSA-N 2 1 345.531 3.450 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)Cc1cc(C)cc(C)c1 ZINC001481019398 1393095261 /nfs/dbraw/zinc/09/52/61/1393095261.db2.gz RAMSPTHHFZUHNV-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)Cc1cc(C)cc(C)c1 ZINC001481019398 1393095268 /nfs/dbraw/zinc/09/52/68/1393095268.db2.gz RAMSPTHHFZUHNV-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)Cc1cc(C)cc(C)c1 ZINC001481019398 1393095274 /nfs/dbraw/zinc/09/52/74/1393095274.db2.gz RAMSPTHHFZUHNV-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC(CC)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001481370227 1394210384 /nfs/dbraw/zinc/21/03/84/1394210384.db2.gz ZJOBSWXSPBODAG-UXHICEINSA-N 2 1 345.531 3.354 20 0 EGADMP CCCc1ccc(C[N@H+]2CCC[C@H](NC(=O)CC[NH+](C)CC)C2)cc1 ZINC001481538704 1394399362 /nfs/dbraw/zinc/39/93/62/1394399362.db2.gz FUGUGAGNBJWDBI-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCCc1ccc(C[NH+]2CCC[C@H](NC(=O)CC[N@H+](C)CC)C2)cc1 ZINC001481538704 1394399366 /nfs/dbraw/zinc/39/93/66/1394399366.db2.gz FUGUGAGNBJWDBI-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCCc1ccc(C[NH+]2CCC[C@H](NC(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001481538704 1394399372 /nfs/dbraw/zinc/39/93/72/1394399372.db2.gz FUGUGAGNBJWDBI-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001484136967 1395273767 /nfs/dbraw/zinc/27/37/67/1395273767.db2.gz IFNCDXNSIMNABI-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[C@H](C(=O)NCc1ccc2c(c1)C[N@H+](CC1CCC1)C2)[NH+](C)C ZINC001484875325 1395578746 /nfs/dbraw/zinc/57/87/46/1395578746.db2.gz APVHIFDVNFPBJC-HXUWFJFHSA-N 2 1 343.515 3.005 20 0 EGADMP CCCC[C@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001485467091 1395941845 /nfs/dbraw/zinc/94/18/45/1395941845.db2.gz ZRAOMLVNSBEIBO-MOPGFXCFSA-N 2 1 335.536 3.236 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001687475434 1396386786 /nfs/dbraw/zinc/38/67/86/1396386786.db2.gz CYJLSVAPMXNGOZ-ICSRJNTNSA-N 2 1 343.515 3.073 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001687475434 1396386792 /nfs/dbraw/zinc/38/67/92/1396386792.db2.gz CYJLSVAPMXNGOZ-ICSRJNTNSA-N 2 1 343.515 3.073 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001690391623 1404531469 /nfs/dbraw/zinc/53/14/69/1404531469.db2.gz FGSLTQDPSVTMPP-ICSRJNTNSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](CC)c2ccccc2)C1 ZINC001690391623 1404531470 /nfs/dbraw/zinc/53/14/70/1404531470.db2.gz FGSLTQDPSVTMPP-ICSRJNTNSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC001690391623 1404531474 /nfs/dbraw/zinc/53/14/74/1404531474.db2.gz FGSLTQDPSVTMPP-ICSRJNTNSA-N 2 1 345.531 3.308 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001690428962 1404555026 /nfs/dbraw/zinc/55/50/26/1404555026.db2.gz HEWOVDULHTXFPW-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001690814863 1404749868 /nfs/dbraw/zinc/74/98/68/1404749868.db2.gz MSLDTXAAKJZESP-QZTJIDSGSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001690824392 1404760424 /nfs/dbraw/zinc/76/04/24/1404760424.db2.gz CJKUKVYDEYIVQP-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001690824392 1404760427 /nfs/dbraw/zinc/76/04/27/1404760427.db2.gz CJKUKVYDEYIVQP-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001690824392 1404760428 /nfs/dbraw/zinc/76/04/28/1404760428.db2.gz CJKUKVYDEYIVQP-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)CCNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001690971875 1404878975 /nfs/dbraw/zinc/87/89/75/1404878975.db2.gz DMRMSYDMWQXPHW-QGZVFWFLSA-N 2 1 345.531 3.261 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H](C)c1cccc(C)c1 ZINC001691020231 1404933949 /nfs/dbraw/zinc/93/39/49/1404933949.db2.gz PZSPJBYYMQUMKV-QUCCMNQESA-N 2 1 345.531 3.367 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@H](C)c1cccc(C)c1 ZINC001691020231 1404933952 /nfs/dbraw/zinc/93/39/52/1404933952.db2.gz PZSPJBYYMQUMKV-QUCCMNQESA-N 2 1 345.531 3.367 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@H](C)c1cccc(C)c1 ZINC001691020231 1404933954 /nfs/dbraw/zinc/93/39/54/1404933954.db2.gz PZSPJBYYMQUMKV-QUCCMNQESA-N 2 1 345.531 3.367 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@@H](CNC(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001691709368 1405437634 /nfs/dbraw/zinc/43/76/34/1405437634.db2.gz ZGZJEPJAQVHGBH-HCXYKTFWSA-N 2 1 349.563 3.172 20 0 EGADMP CC[C@@H](C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCCn1cc[nH+]c1C ZINC001691847863 1405561598 /nfs/dbraw/zinc/56/15/98/1405561598.db2.gz NRLGORRSOOHGID-LMMKCTJWSA-N 2 1 348.535 3.235 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(CC)cc2)C1 ZINC001698572309 1406177307 /nfs/dbraw/zinc/17/73/07/1406177307.db2.gz DZVFODNPVZQPHY-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(CC)cc2)C1 ZINC001698572309 1406177309 /nfs/dbraw/zinc/17/73/09/1406177309.db2.gz DZVFODNPVZQPHY-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(CC)cc2)C1 ZINC001698572309 1406177312 /nfs/dbraw/zinc/17/73/12/1406177312.db2.gz DZVFODNPVZQPHY-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC(CC)C[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2C)CCCC[C@H]1C ZINC001732264331 1428504013 /nfs/dbraw/zinc/50/40/13/1428504013.db2.gz ZPPMKSJXGDFGBG-UZLBHIALSA-N 2 1 348.535 3.282 20 0 EGADMP CCC[NH+]1CCC(CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001732322710 1428531903 /nfs/dbraw/zinc/53/19/03/1428531903.db2.gz ZOTQVBDQWQMCCV-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001732359598 1428547604 /nfs/dbraw/zinc/54/76/04/1428547604.db2.gz CPKQZYFUHOAKPV-WMZOPIPTSA-N 2 1 347.547 3.376 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001732399189 1428565527 /nfs/dbraw/zinc/56/55/27/1428565527.db2.gz XIKLMBSRYWKOSD-ZWKOTPCHSA-N 2 1 343.515 3.026 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@]3(CC[NH+](CCCC(C)(C)C)C3)C2)C1 ZINC001699702064 1413115753 /nfs/dbraw/zinc/11/57/53/1413115753.db2.gz QDLRDDJAUIUDKK-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@]3(CC[N@H+](CCCC(C)(C)C)C3)C2)C1 ZINC001699702064 1413115758 /nfs/dbraw/zinc/11/57/58/1413115758.db2.gz QDLRDDJAUIUDKK-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@]3(CC[N@@H+](CCCC(C)(C)C)C3)C2)C1 ZINC001699702064 1413115760 /nfs/dbraw/zinc/11/57/60/1413115760.db2.gz QDLRDDJAUIUDKK-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)(C)CCC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001699827397 1413255341 /nfs/dbraw/zinc/25/53/41/1413255341.db2.gz WOCFBJPIMCBKMR-HXUWFJFHSA-N 2 1 337.552 3.269 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001699873317 1413325645 /nfs/dbraw/zinc/32/56/45/1413325645.db2.gz KUAUEYVEIJCBNG-OAQYLSRUSA-N 2 1 349.563 3.127 20 0 EGADMP O=C(NCC1([NH2+]CCC2CC2)CCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001700132446 1413549236 /nfs/dbraw/zinc/54/92/36/1413549236.db2.gz APDAORCWYIDWDN-SFHVURJKSA-N 2 1 347.547 3.070 20 0 EGADMP Cc1ccc(C[NH2+]C2(CNC(=O)C[N@H+](C)CC(C)(C)C)CCC2)cc1 ZINC001700138074 1413556859 /nfs/dbraw/zinc/55/68/59/1413556859.db2.gz FXMOAVQOKTUKPD-UHFFFAOYSA-N 2 1 345.531 3.101 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001700555197 1414225037 /nfs/dbraw/zinc/22/50/37/1414225037.db2.gz PKRNGKVMNSTFGR-ROUUACIJSA-N 2 1 345.531 3.224 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCC[N@H+]1CCC1CC1 ZINC001700880438 1414536347 /nfs/dbraw/zinc/53/63/47/1414536347.db2.gz MKFVDZPXDCSRKN-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1c(C)cccc1C ZINC001732632394 1428894674 /nfs/dbraw/zinc/89/46/74/1428894674.db2.gz XBBSGRGCHNRSEF-AZUAARDMSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001733013155 1429132749 /nfs/dbraw/zinc/13/27/49/1429132749.db2.gz KCVPVKFCEDUVRB-INIZCTEOSA-N 2 1 334.508 3.071 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCCC1CCCC1)C(=O)CC[NH+]1CCCCC1 ZINC001707062174 1417178033 /nfs/dbraw/zinc/17/80/33/1417178033.db2.gz LKEYVMBDIRMXSA-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1CCC1 ZINC001707447313 1417351083 /nfs/dbraw/zinc/35/10/83/1417351083.db2.gz QLDIQKCOLNAQNB-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001733055197 1429198211 /nfs/dbraw/zinc/19/82/11/1429198211.db2.gz UITGOCOQVSUCTB-ZWKOTPCHSA-N 2 1 345.531 3.224 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@@H+](CCC3CC3)C2)CCCCC1 ZINC001713217924 1417796710 /nfs/dbraw/zinc/79/67/10/1417796710.db2.gz LGVSQNXIPQMSJV-LJQANCHMSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001713279874 1417906213 /nfs/dbraw/zinc/90/62/13/1417906213.db2.gz VPCIARVKXLWSOU-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001713279874 1417906216 /nfs/dbraw/zinc/90/62/16/1417906216.db2.gz VPCIARVKXLWSOU-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001713279874 1417906223 /nfs/dbraw/zinc/90/62/23/1417906223.db2.gz VPCIARVKXLWSOU-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+][C@H](C)c2ccccc2)CC1 ZINC001713291660 1417919617 /nfs/dbraw/zinc/91/96/17/1417919617.db2.gz TZTFBPUYKPHYPG-IPJUCJBFSA-N 2 1 331.504 3.106 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2ccc(C)c(C)c2)C1 ZINC001713399499 1418019871 /nfs/dbraw/zinc/01/98/71/1418019871.db2.gz NZQDZWMSUWORTF-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001713399499 1418019874 /nfs/dbraw/zinc/01/98/74/1418019874.db2.gz NZQDZWMSUWORTF-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001713399499 1418019880 /nfs/dbraw/zinc/01/98/80/1418019880.db2.gz NZQDZWMSUWORTF-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCc1ccccc1C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001713469722 1418136027 /nfs/dbraw/zinc/13/60/27/1418136027.db2.gz XCERCJOREAMFHR-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001713469722 1418136028 /nfs/dbraw/zinc/13/60/28/1418136028.db2.gz XCERCJOREAMFHR-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001713469722 1418136030 /nfs/dbraw/zinc/13/60/30/1418136030.db2.gz XCERCJOREAMFHR-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CC2CCCCCC2)C1 ZINC001713758988 1418564947 /nfs/dbraw/zinc/56/49/47/1418564947.db2.gz IKCROSIWXNOAOF-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCCC2)C1 ZINC001713758988 1418564951 /nfs/dbraw/zinc/56/49/51/1418564951.db2.gz IKCROSIWXNOAOF-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCCC2)C1 ZINC001713758988 1418564954 /nfs/dbraw/zinc/56/49/54/1418564954.db2.gz IKCROSIWXNOAOF-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP Cc1ccc(C[N@H+](C)CC2CCN(C(=O)CCC[NH+](C)C)CC2)cc1 ZINC001713765889 1418579233 /nfs/dbraw/zinc/57/92/33/1418579233.db2.gz FSMNUKMOOMQFHS-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP Cc1cccc(C[N@H+](C)C[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001713896478 1418694186 /nfs/dbraw/zinc/69/41/86/1418694186.db2.gz CPVWFKNBQRMIQY-HXUWFJFHSA-N 2 1 345.531 3.007 20 0 EGADMP CCCc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C2)cc1 ZINC001714020792 1418803114 /nfs/dbraw/zinc/80/31/14/1418803114.db2.gz KFDUCYZVGNEDRI-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCCc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)CC[N@H+](C)CC)C2)cc1 ZINC001714020792 1418803117 /nfs/dbraw/zinc/80/31/17/1418803117.db2.gz KFDUCYZVGNEDRI-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCCc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001714020792 1418803119 /nfs/dbraw/zinc/80/31/19/1418803119.db2.gz KFDUCYZVGNEDRI-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001714091404 1418885289 /nfs/dbraw/zinc/88/52/89/1418885289.db2.gz HJMUJDPAHUEXCO-HXUWFJFHSA-N 2 1 345.531 3.055 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001714155093 1418964346 /nfs/dbraw/zinc/96/43/46/1418964346.db2.gz DAZMPAAQRBWJNI-RBUKOAKNSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)[C@H](CC)C1 ZINC001733196972 1429299257 /nfs/dbraw/zinc/29/92/57/1429299257.db2.gz HCRZXNVXGILKQQ-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001714304714 1419084643 /nfs/dbraw/zinc/08/46/43/1419084643.db2.gz HWOJECRLHNPEBD-HZPDHXFCSA-N 2 1 342.487 3.170 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)c1 ZINC001714565396 1419293661 /nfs/dbraw/zinc/29/36/61/1419293661.db2.gz OENXDMPZFJLERR-UYAOXDASSA-N 2 1 345.531 3.367 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)c1 ZINC001714565396 1419293663 /nfs/dbraw/zinc/29/36/63/1419293663.db2.gz OENXDMPZFJLERR-UYAOXDASSA-N 2 1 345.531 3.367 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001714651112 1419428207 /nfs/dbraw/zinc/42/82/07/1419428207.db2.gz VEADJSZODAPOHW-IBGZPJMESA-N 2 1 337.552 3.127 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001714651112 1419428208 /nfs/dbraw/zinc/42/82/08/1419428208.db2.gz VEADJSZODAPOHW-IBGZPJMESA-N 2 1 337.552 3.127 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001714651112 1419428209 /nfs/dbraw/zinc/42/82/09/1419428209.db2.gz VEADJSZODAPOHW-IBGZPJMESA-N 2 1 337.552 3.127 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)Cc1ccccc1 ZINC001714659315 1419443014 /nfs/dbraw/zinc/44/30/14/1419443014.db2.gz SFVRMKYCUJCYQC-HXUWFJFHSA-N 2 1 345.531 3.278 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)Cc1ccccc1 ZINC001714659315 1419443017 /nfs/dbraw/zinc/44/30/17/1419443017.db2.gz SFVRMKYCUJCYQC-HXUWFJFHSA-N 2 1 345.531 3.278 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)Cc1ccccc1 ZINC001714659315 1419443018 /nfs/dbraw/zinc/44/30/18/1419443018.db2.gz SFVRMKYCUJCYQC-HXUWFJFHSA-N 2 1 345.531 3.278 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001714762016 1419498246 /nfs/dbraw/zinc/49/82/46/1419498246.db2.gz BMSJVCOEGPCYFG-ICSRJNTNSA-N 2 1 345.531 3.367 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC001714777909 1419504458 /nfs/dbraw/zinc/50/44/58/1419504458.db2.gz RZLVAVKLLUYQCV-DLBZAZTESA-N 2 1 342.487 3.204 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001714900736 1419641747 /nfs/dbraw/zinc/64/17/47/1419641747.db2.gz VPAQIPIPJZALOT-DLBZAZTESA-N 2 1 349.494 3.009 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH+](C)[C@@H](C)c2ccccc2)CC1 ZINC001714912358 1419659395 /nfs/dbraw/zinc/65/93/95/1419659395.db2.gz GZEDTKHENGCNDE-SFHVURJKSA-N 2 1 345.531 3.260 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC(C[N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001714912358 1419659403 /nfs/dbraw/zinc/65/94/03/1419659403.db2.gz GZEDTKHENGCNDE-SFHVURJKSA-N 2 1 345.531 3.260 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC(C[N@@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001714912358 1419659405 /nfs/dbraw/zinc/65/94/05/1419659405.db2.gz GZEDTKHENGCNDE-SFHVURJKSA-N 2 1 345.531 3.260 20 0 EGADMP Cc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C2)c1 ZINC001715014609 1419743444 /nfs/dbraw/zinc/74/34/44/1419743444.db2.gz ALLABKGDUHKVFR-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP Cc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)C2)c1 ZINC001715014609 1419743446 /nfs/dbraw/zinc/74/34/46/1419743446.db2.gz ALLABKGDUHKVFR-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP Cc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C2)c1 ZINC001715014609 1419743447 /nfs/dbraw/zinc/74/34/47/1419743447.db2.gz ALLABKGDUHKVFR-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP CCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001715039872 1419777527 /nfs/dbraw/zinc/77/75/27/1419777527.db2.gz PBNHCTBPZJQHLA-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)C[N@H+](C)C1CCC1)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001715039872 1419777528 /nfs/dbraw/zinc/77/75/28/1419777528.db2.gz PBNHCTBPZJQHLA-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)C[N@@H+](C)C1CCC1)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001715039872 1419777533 /nfs/dbraw/zinc/77/75/33/1419777533.db2.gz PBNHCTBPZJQHLA-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(CC)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001715045819 1419786419 /nfs/dbraw/zinc/78/64/19/1419786419.db2.gz LDQODWDFFVLDCK-QUCCMNQESA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001715045819 1419786421 /nfs/dbraw/zinc/78/64/21/1419786421.db2.gz LDQODWDFFVLDCK-QUCCMNQESA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001715045819 1419786423 /nfs/dbraw/zinc/78/64/23/1419786423.db2.gz LDQODWDFFVLDCK-QUCCMNQESA-N 2 1 345.531 3.402 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC001715270501 1419986769 /nfs/dbraw/zinc/98/67/69/1419986769.db2.gz FLBPJIUGLAOPGJ-PXNSSMCTSA-N 2 1 345.531 3.020 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccccc2C)C1 ZINC001715457573 1420138868 /nfs/dbraw/zinc/13/88/68/1420138868.db2.gz HMSARKUCTRQFQB-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccc(C)c(C[NH2+][C@H](CNC(=O)C[N@@H+](C)C2CCC2)C(C)C)c1 ZINC001715492462 1420174134 /nfs/dbraw/zinc/17/41/34/1420174134.db2.gz QBWHLFPTZVLMGG-HXUWFJFHSA-N 2 1 345.531 3.018 20 0 EGADMP C[C@H](CC[NH2+][C@@H]1CCCc2ccccc21)NC(=O)C[N@@H+](C)C1CCC1 ZINC001715656112 1420280965 /nfs/dbraw/zinc/28/09/65/1420280965.db2.gz OLBFPVVPLRFFPB-OXQOHEQNSA-N 2 1 343.515 3.033 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CCC1CCCC1 ZINC001715956507 1420422404 /nfs/dbraw/zinc/42/24/04/1420422404.db2.gz AERLZOGFXLREOM-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)CCC1CCCC1 ZINC001715956507 1420422407 /nfs/dbraw/zinc/42/24/07/1420422407.db2.gz AERLZOGFXLREOM-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCC1CCCC1 ZINC001715956507 1420422409 /nfs/dbraw/zinc/42/24/09/1420422409.db2.gz AERLZOGFXLREOM-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715959156 1420425649 /nfs/dbraw/zinc/42/56/49/1420425649.db2.gz UXWRGKHFJJZEGG-MOPGFXCFSA-N 2 1 339.568 3.323 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@H](C)c1cccc(Cl)c1 ZINC001716500829 1420727385 /nfs/dbraw/zinc/72/73/85/1420727385.db2.gz KYJWLVXBLICHMK-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001716500829 1420727386 /nfs/dbraw/zinc/72/73/86/1420727386.db2.gz KYJWLVXBLICHMK-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001716500829 1420727391 /nfs/dbraw/zinc/72/73/91/1420727391.db2.gz KYJWLVXBLICHMK-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP Cc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001716502421 1420730907 /nfs/dbraw/zinc/73/09/07/1420730907.db2.gz RXLRDPVDGNLXQK-GOSISDBHSA-N 2 1 345.531 3.052 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001716684809 1420838419 /nfs/dbraw/zinc/83/84/19/1420838419.db2.gz CVFKWMGNWBRGKF-PKOBYXMFSA-N 2 1 349.563 3.314 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2CC)C[C@@H]1C ZINC001716771066 1420914983 /nfs/dbraw/zinc/91/49/83/1420914983.db2.gz QXOLFJNFNZZPAS-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001717197562 1421164470 /nfs/dbraw/zinc/16/44/70/1421164470.db2.gz AVHLDRGHUWCELF-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001717197562 1421164471 /nfs/dbraw/zinc/16/44/71/1421164471.db2.gz AVHLDRGHUWCELF-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001717197562 1421164474 /nfs/dbraw/zinc/16/44/74/1421164474.db2.gz AVHLDRGHUWCELF-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001717216424 1421194365 /nfs/dbraw/zinc/19/43/65/1421194365.db2.gz IPHBQBBDFYGWQH-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001717216424 1421194369 /nfs/dbraw/zinc/19/43/69/1421194369.db2.gz IPHBQBBDFYGWQH-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001717216424 1421194370 /nfs/dbraw/zinc/19/43/70/1421194370.db2.gz IPHBQBBDFYGWQH-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001717337344 1421274677 /nfs/dbraw/zinc/27/46/77/1421274677.db2.gz WIFIAMDKIJSVPK-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001717337345 1421274752 /nfs/dbraw/zinc/27/47/52/1421274752.db2.gz WIFIAMDKIJSVPK-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001717338915 1421276870 /nfs/dbraw/zinc/27/68/70/1421276870.db2.gz FJEHZTGAHLANCT-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCCCCC2)CC1 ZINC001717371274 1421310479 /nfs/dbraw/zinc/31/04/79/1421310479.db2.gz NJAGCVOOAFWEIX-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001717375239 1421316894 /nfs/dbraw/zinc/31/68/94/1421316894.db2.gz ZZTWSLBXSBDOPQ-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP Cc1ccc(C)c(C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001717487924 1421425522 /nfs/dbraw/zinc/42/55/22/1421425522.db2.gz NETPFBSHSCXSIK-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1ccc(C)c(C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001717487924 1421425524 /nfs/dbraw/zinc/42/55/24/1421425524.db2.gz NETPFBSHSCXSIK-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1ccc(C)c(C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001717487924 1421425526 /nfs/dbraw/zinc/42/55/26/1421425526.db2.gz NETPFBSHSCXSIK-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2F)C[C@H]1C ZINC001733336401 1429521515 /nfs/dbraw/zinc/52/15/15/1429521515.db2.gz UGQDAPYWAAOXIS-AEFFLSMTSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@](C)(C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001733441047 1429648913 /nfs/dbraw/zinc/64/89/13/1429648913.db2.gz MQWAAZOVQKUGCC-OXJNMPFZSA-N 2 1 349.494 3.057 20 0 EGADMP CCCC[NH+]1CCC(C)(CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001733453464 1429667169 /nfs/dbraw/zinc/66/71/69/1429667169.db2.gz HXPQUWDCTFSQQK-UHFFFAOYSA-N 2 1 345.531 3.137 20 0 EGADMP CCCC[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001733453464 1429667172 /nfs/dbraw/zinc/66/71/72/1429667172.db2.gz HXPQUWDCTFSQQK-UHFFFAOYSA-N 2 1 345.531 3.137 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+](CCCC(C)(C)C)C1 ZINC001733461997 1429688807 /nfs/dbraw/zinc/68/88/07/1429688807.db2.gz LDRZTDGBQPRGFC-HXUWFJFHSA-N 2 1 339.568 3.373 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@]1(C)CCC[N@H+](CCCC(C)(C)C)C1 ZINC001733461997 1429688810 /nfs/dbraw/zinc/68/88/10/1429688810.db2.gz LDRZTDGBQPRGFC-HXUWFJFHSA-N 2 1 339.568 3.373 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@]1(C)CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001733461997 1429688811 /nfs/dbraw/zinc/68/88/11/1429688811.db2.gz LDRZTDGBQPRGFC-HXUWFJFHSA-N 2 1 339.568 3.373 20 0 EGADMP CCCC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CCCCCC1 ZINC001723639389 1424502922 /nfs/dbraw/zinc/50/29/22/1424502922.db2.gz DWLYMWCEMUWJAB-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CCCCCC1 ZINC001723639389 1424502926 /nfs/dbraw/zinc/50/29/26/1424502926.db2.gz DWLYMWCEMUWJAB-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CCCCCC1 ZINC001723639389 1424502939 /nfs/dbraw/zinc/50/29/39/1424502939.db2.gz DWLYMWCEMUWJAB-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001724846779 1425199619 /nfs/dbraw/zinc/19/96/19/1425199619.db2.gz TZTZGJSRYREKGN-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001724846779 1425199624 /nfs/dbraw/zinc/19/96/24/1425199624.db2.gz TZTZGJSRYREKGN-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001724846779 1425199627 /nfs/dbraw/zinc/19/96/27/1425199627.db2.gz TZTZGJSRYREKGN-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001725003067 1425413065 /nfs/dbraw/zinc/41/30/65/1425413065.db2.gz NFORVTMBAWZDEI-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001725047331 1425477619 /nfs/dbraw/zinc/47/76/19/1425477619.db2.gz MGPIUGSSONGJRN-RTBURBONSA-N 2 1 345.531 3.321 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001725468961 1426137708 /nfs/dbraw/zinc/13/77/08/1426137708.db2.gz UFRGUJABJMHTNI-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@H+]1CCCC(C)(C)C ZINC001725618244 1426281447 /nfs/dbraw/zinc/28/14/47/1426281447.db2.gz DZCNELIPEDTEMG-SJLPKXTDSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCC[NH+]1CCCC(C)(C)C ZINC001725618244 1426281450 /nfs/dbraw/zinc/28/14/50/1426281450.db2.gz DZCNELIPEDTEMG-SJLPKXTDSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCC[NH+]1CCCC(C)(C)C ZINC001725618244 1426281453 /nfs/dbraw/zinc/28/14/53/1426281453.db2.gz DZCNELIPEDTEMG-SJLPKXTDSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H](CNC(=O)C[N@@H+](C)C2CCC2)C2CC2)c1 ZINC001731396883 1427353255 /nfs/dbraw/zinc/35/32/55/1427353255.db2.gz NBRSSOWSZFXVBB-OXQOHEQNSA-N 2 1 343.515 3.025 20 0 EGADMP O=C(CCC[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001731506508 1427493656 /nfs/dbraw/zinc/49/36/56/1427493656.db2.gz DFOGCKJOFJSCEB-FQEVSTJZSA-N 2 1 349.563 3.271 20 0 EGADMP CCC(CC)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001731523649 1427512037 /nfs/dbraw/zinc/51/20/37/1427512037.db2.gz SQMGSZWZTTWTQJ-SFHVURJKSA-N 2 1 339.568 3.229 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001731558749 1427590148 /nfs/dbraw/zinc/59/01/48/1427590148.db2.gz LSCCRCGBJQJUQP-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001731628598 1427679443 /nfs/dbraw/zinc/67/94/43/1427679443.db2.gz LVKXLUXYLGKYQA-DLBZAZTESA-N 2 1 341.499 3.337 20 0 EGADMP CC(C)[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001731705957 1427758973 /nfs/dbraw/zinc/75/89/73/1427758973.db2.gz XRRZPHSXQTWMFW-FQEVSTJZSA-N 2 1 345.531 3.106 20 0 EGADMP CCc1ccccc1C[NH+](C)[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001731721200 1427790518 /nfs/dbraw/zinc/79/05/18/1427790518.db2.gz RHVDEZHRNHOCQN-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccccc1C[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001731721200 1427790521 /nfs/dbraw/zinc/79/05/21/1427790521.db2.gz RHVDEZHRNHOCQN-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccccc1C[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001731721200 1427790530 /nfs/dbraw/zinc/79/05/30/1427790530.db2.gz RHVDEZHRNHOCQN-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CC(C)c1ccccc1C[N@@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001731789448 1427928495 /nfs/dbraw/zinc/92/84/95/1427928495.db2.gz HXKZHKXTPMTJIY-UHFFFAOYSA-N 2 1 345.531 3.090 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001733863887 1437692457 /nfs/dbraw/zinc/69/24/57/1437692457.db2.gz GCJNTNQIOQTUII-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001733939431 1437755513 /nfs/dbraw/zinc/75/55/13/1437755513.db2.gz BGWZKEIJHFJKKZ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC1CC(C[N@H+]2CCCCC[C@@H]2CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001734105432 1437891583 /nfs/dbraw/zinc/89/15/83/1437891583.db2.gz FUKHORXCKRPGIB-SOAGJPPSSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001734343982 1438063659 /nfs/dbraw/zinc/06/36/59/1438063659.db2.gz NNOMZBQNRNHUMD-MSOLQXFVSA-N 2 1 347.547 3.470 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)[C@H](C)c1cccc(F)c1 ZINC001751974666 1440129833 /nfs/dbraw/zinc/12/98/33/1440129833.db2.gz HTSBRERHJZDTPW-VQIMIIECSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC001751974666 1440129834 /nfs/dbraw/zinc/12/98/34/1440129834.db2.gz HTSBRERHJZDTPW-VQIMIIECSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+](C)[C@H](C)c1cccc(F)c1 ZINC001751974666 1440129835 /nfs/dbraw/zinc/12/98/35/1440129835.db2.gz HTSBRERHJZDTPW-VQIMIIECSA-N 2 1 349.494 3.198 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1 ZINC001752159015 1440148194 /nfs/dbraw/zinc/14/81/94/1440148194.db2.gz YIPQGEXTWNHFST-UYAOXDASSA-N 2 1 345.531 3.278 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001752190039 1440152565 /nfs/dbraw/zinc/15/25/65/1440152565.db2.gz UHWGFILNOCVHCN-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001752190039 1440152566 /nfs/dbraw/zinc/15/25/66/1440152566.db2.gz UHWGFILNOCVHCN-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001752190039 1440152568 /nfs/dbraw/zinc/15/25/68/1440152568.db2.gz UHWGFILNOCVHCN-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001752426772 1440177215 /nfs/dbraw/zinc/17/72/15/1440177215.db2.gz LCTBTQZUQLWVBT-GOSISDBHSA-N 2 1 347.547 3.020 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001752784117 1440210442 /nfs/dbraw/zinc/21/04/42/1440210442.db2.gz WCPSJTVFGCBCJV-WYNBNGFRSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001752784117 1440210443 /nfs/dbraw/zinc/21/04/43/1440210443.db2.gz WCPSJTVFGCBCJV-WYNBNGFRSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001752784117 1440210444 /nfs/dbraw/zinc/21/04/44/1440210444.db2.gz WCPSJTVFGCBCJV-WYNBNGFRSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001752785556 1440211166 /nfs/dbraw/zinc/21/11/66/1440211166.db2.gz XNHFMSQRUBQLTP-DUMMIQTOSA-N 2 1 335.536 3.045 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001752800010 1440214873 /nfs/dbraw/zinc/21/48/73/1440214873.db2.gz OPZJOTHKVXWLQM-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001752835537 1440227591 /nfs/dbraw/zinc/22/75/91/1440227591.db2.gz GHXMYIQTXNENGE-DLBZAZTESA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001752835537 1440227592 /nfs/dbraw/zinc/22/75/92/1440227592.db2.gz GHXMYIQTXNENGE-DLBZAZTESA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001752835537 1440227593 /nfs/dbraw/zinc/22/75/93/1440227593.db2.gz GHXMYIQTXNENGE-DLBZAZTESA-N 2 1 337.552 3.265 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001752880835 1440238838 /nfs/dbraw/zinc/23/88/38/1440238838.db2.gz ZHUCZJPFHIRHNF-VQIMIIECSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001752907045 1440244436 /nfs/dbraw/zinc/24/44/36/1440244436.db2.gz VYJVICJIOUJZDA-INIZCTEOSA-N 2 1 348.535 3.317 20 0 EGADMP Cc1cc(C)cc(C[NH2+][C@H]2CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001752983382 1440257499 /nfs/dbraw/zinc/25/74/99/1440257499.db2.gz JJOTWZQWWHRBOA-VQTJNVASSA-N 2 1 345.531 3.161 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001752990596 1440259409 /nfs/dbraw/zinc/25/94/09/1440259409.db2.gz HPNKDHLXSULNMH-CNUAAPAUSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001752990596 1440259410 /nfs/dbraw/zinc/25/94/10/1440259410.db2.gz HPNKDHLXSULNMH-CNUAAPAUSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001752990596 1440259411 /nfs/dbraw/zinc/25/94/11/1440259411.db2.gz HPNKDHLXSULNMH-CNUAAPAUSA-N 2 1 349.563 3.386 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCC2CCC2)C1 ZINC001752992989 1440260452 /nfs/dbraw/zinc/26/04/52/1440260452.db2.gz YAIGZAJTACNNIA-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCCC2CCC2)C1 ZINC001752992989 1440260453 /nfs/dbraw/zinc/26/04/53/1440260453.db2.gz YAIGZAJTACNNIA-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001752992989 1440260454 /nfs/dbraw/zinc/26/04/54/1440260454.db2.gz YAIGZAJTACNNIA-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001752999989 1440264107 /nfs/dbraw/zinc/26/41/07/1440264107.db2.gz LMEUVADMQIVKJA-WOJBJXKFSA-N 2 1 343.515 3.178 20 0 EGADMP CC(C)=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001752999989 1440264108 /nfs/dbraw/zinc/26/41/08/1440264108.db2.gz LMEUVADMQIVKJA-WOJBJXKFSA-N 2 1 343.515 3.178 20 0 EGADMP CC1CC(C[N@@H+](C)[C@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001753001045 1440264562 /nfs/dbraw/zinc/26/45/62/1440264562.db2.gz RUPZQWNFKLDBTR-MHJFOBGBSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC1CCC2(CC2)CC1 ZINC001753055199 1440281182 /nfs/dbraw/zinc/28/11/82/1440281182.db2.gz KUWIFSQSXACJGT-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)CC1CCC2(CC2)CC1 ZINC001753055199 1440281183 /nfs/dbraw/zinc/28/11/83/1440281183.db2.gz KUWIFSQSXACJGT-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001753055199 1440281184 /nfs/dbraw/zinc/28/11/84/1440281184.db2.gz KUWIFSQSXACJGT-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC(C[N@H+]2CCC[C@@H]2CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001753114136 1440310414 /nfs/dbraw/zinc/31/04/14/1440310414.db2.gz CMQKWGQHCJHXCP-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001753328775 1440368047 /nfs/dbraw/zinc/36/80/47/1440368047.db2.gz ZWQOZUHOADSJEF-IEBWSBKVSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001753328775 1440368048 /nfs/dbraw/zinc/36/80/48/1440368048.db2.gz ZWQOZUHOADSJEF-IEBWSBKVSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001753328775 1440368049 /nfs/dbraw/zinc/36/80/49/1440368049.db2.gz ZWQOZUHOADSJEF-IEBWSBKVSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CC[C@@H](CCNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001753330344 1440368940 /nfs/dbraw/zinc/36/89/40/1440368940.db2.gz NAXOUKKIKAOFKN-GOSISDBHSA-N 2 1 337.552 3.127 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001753360021 1440382254 /nfs/dbraw/zinc/38/22/54/1440382254.db2.gz OGYMLLAAOQJCDE-SJORKVTESA-N 2 1 349.494 3.007 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001753360021 1440382255 /nfs/dbraw/zinc/38/22/55/1440382255.db2.gz OGYMLLAAOQJCDE-SJORKVTESA-N 2 1 349.494 3.007 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001753360021 1440382256 /nfs/dbraw/zinc/38/22/56/1440382256.db2.gz OGYMLLAAOQJCDE-SJORKVTESA-N 2 1 349.494 3.007 20 0 EGADMP CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)[NH2+]CC1CCCCC1 ZINC001753488724 1440418656 /nfs/dbraw/zinc/41/86/56/1440418656.db2.gz SDVNLUYHNHVSLJ-MOPGFXCFSA-N 2 1 337.552 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](C[C@H](C)CC)CC1 ZINC001753594492 1440444026 /nfs/dbraw/zinc/44/40/26/1440444026.db2.gz DIOGPXJITZUTRJ-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCCC1 ZINC001753632403 1440452430 /nfs/dbraw/zinc/45/24/30/1440452430.db2.gz NIBOVWRQENCZPS-PKOBYXMFSA-N 2 1 337.552 3.172 20 0 EGADMP O=C(NCC1([NH2+]CCC2CC2)CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001753664243 1440459705 /nfs/dbraw/zinc/45/97/05/1440459705.db2.gz RKWQDXDGPOZCRA-LJQANCHMSA-N 2 1 347.547 3.212 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC2CCC3(CC3)CC2)CC[N@H+]1C ZINC001753693857 1440467042 /nfs/dbraw/zinc/46/70/42/1440467042.db2.gz YRSBVHHNRRATOP-NZSAHSFTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C1CCC1)c1ccc(F)cc1 ZINC001753695902 1440467518 /nfs/dbraw/zinc/46/75/18/1440467518.db2.gz AKDNEGOKUDZPAA-KXBFYZLASA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001753702133 1440468802 /nfs/dbraw/zinc/46/88/02/1440468802.db2.gz UUJIMLZKROUDGO-AZUAARDMSA-N 2 1 349.563 3.434 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C1CCCCC1 ZINC001753745344 1440480789 /nfs/dbraw/zinc/48/07/89/1440480789.db2.gz UVKHKIADDNQJAW-PMACEKPBSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@@H+](CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)CCC(C)(C)C ZINC001753818594 1440494934 /nfs/dbraw/zinc/49/49/34/1440494934.db2.gz WLLHRMDMBIGFMK-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)CCC(C)(C)C ZINC001753818594 1440494935 /nfs/dbraw/zinc/49/49/35/1440494935.db2.gz WLLHRMDMBIGFMK-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)CCC(C)(C)C ZINC001753818594 1440494936 /nfs/dbraw/zinc/49/49/36/1440494936.db2.gz WLLHRMDMBIGFMK-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[N@@H+](C)CCC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001753823840 1440497450 /nfs/dbraw/zinc/49/74/50/1440497450.db2.gz PKKVUTHYIQXOHY-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCCCC[NH+](C)CCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001753823840 1440497451 /nfs/dbraw/zinc/49/74/51/1440497451.db2.gz PKKVUTHYIQXOHY-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCCCC[NH+](C)CCC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001753823840 1440497452 /nfs/dbraw/zinc/49/74/52/1440497452.db2.gz PKKVUTHYIQXOHY-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CC[N@H+](C)CC1CC(C)(C)C1 ZINC001753852795 1440507711 /nfs/dbraw/zinc/50/77/11/1440507711.db2.gz BDBDTRBHCGSSOQ-MRXNPFEDSA-N 2 1 348.535 3.223 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CC[N@@H+](C)CC1CC(C)(C)C1 ZINC001753852795 1440507712 /nfs/dbraw/zinc/50/77/12/1440507712.db2.gz BDBDTRBHCGSSOQ-MRXNPFEDSA-N 2 1 348.535 3.223 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001754045546 1440535029 /nfs/dbraw/zinc/53/50/29/1440535029.db2.gz SPZJFBWCRADLHF-HKUYNNGSSA-N 2 1 331.504 3.059 20 0 EGADMP CCN(CC[NH2+]CCC1CC1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001754063726 1440537134 /nfs/dbraw/zinc/53/71/34/1440537134.db2.gz RHNFEBBYYGSPQQ-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]([NH2+]C/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001754173351 1440547293 /nfs/dbraw/zinc/54/72/93/1440547293.db2.gz LUVWEBAJKQYZDS-JNXQLMTMSA-N 2 1 349.906 3.005 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001754285516 1440564031 /nfs/dbraw/zinc/56/40/31/1440564031.db2.gz ACKRIVUAEIDZEF-LSDHHAIUSA-N 2 1 346.450 3.001 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001754313471 1440574410 /nfs/dbraw/zinc/57/44/10/1440574410.db2.gz WVWXZTRWPKXICV-BEFAXECRSA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001754313471 1440574411 /nfs/dbraw/zinc/57/44/11/1440574411.db2.gz WVWXZTRWPKXICV-BEFAXECRSA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001754313471 1440574412 /nfs/dbraw/zinc/57/44/12/1440574412.db2.gz WVWXZTRWPKXICV-BEFAXECRSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001754335428 1440586238 /nfs/dbraw/zinc/58/62/38/1440586238.db2.gz COTSSBHQXDARNP-MJGOQNOKSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001754515901 1440618556 /nfs/dbraw/zinc/61/85/56/1440618556.db2.gz GIPJRALBTJTBKO-MSOLQXFVSA-N 2 1 343.515 3.169 20 0 EGADMP CC[C@H](C)C[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001754549708 1440629653 /nfs/dbraw/zinc/62/96/53/1440629653.db2.gz QHYMUPVMORDZPR-KRWDZBQOSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@H](C)C[NH+](CC1CC1)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001754549708 1440629654 /nfs/dbraw/zinc/62/96/54/1440629654.db2.gz QHYMUPVMORDZPR-KRWDZBQOSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@H](C)C[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001754549708 1440629655 /nfs/dbraw/zinc/62/96/55/1440629655.db2.gz QHYMUPVMORDZPR-KRWDZBQOSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)c1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C[N@H+](C)C(C)C)cc1 ZINC001754622093 1440645483 /nfs/dbraw/zinc/64/54/83/1440645483.db2.gz FDDMJMLWSZLEMD-FQEVSTJZSA-N 2 1 345.531 3.231 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1(C)CC[NH+](CC2CCC(C)CC2)CC1 ZINC001754630374 1440647559 /nfs/dbraw/zinc/64/75/59/1440647559.db2.gz FJQIKDKXVFZSJV-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001754702107 1440668081 /nfs/dbraw/zinc/66/80/81/1440668081.db2.gz NLFXHCJJXWZQTJ-FQEVSTJZSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](CC(=O)NCC1(C)CC[NH+](CC2=CCCCC2)CC1)C1CCC1 ZINC001754718227 1440672173 /nfs/dbraw/zinc/67/21/73/1440672173.db2.gz UKLWTFRMWADSQQ-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001754733553 1440681200 /nfs/dbraw/zinc/68/12/00/1440681200.db2.gz MZQBFLRNHMDPMW-PZJWPPBQSA-N 2 1 345.531 3.308 20 0 EGADMP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001754733553 1440681201 /nfs/dbraw/zinc/68/12/01/1440681201.db2.gz MZQBFLRNHMDPMW-PZJWPPBQSA-N 2 1 345.531 3.308 20 0 EGADMP CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001754733553 1440681202 /nfs/dbraw/zinc/68/12/02/1440681202.db2.gz MZQBFLRNHMDPMW-PZJWPPBQSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001754733916 1440681326 /nfs/dbraw/zinc/68/13/26/1440681326.db2.gz QNZVQPRRCQMITB-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001754733721 1440681377 /nfs/dbraw/zinc/68/13/77/1440681377.db2.gz OJGAMBRSFUXVFW-ABDUDLSGSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001754733721 1440681378 /nfs/dbraw/zinc/68/13/78/1440681378.db2.gz OJGAMBRSFUXVFW-ABDUDLSGSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001754733721 1440681379 /nfs/dbraw/zinc/68/13/79/1440681379.db2.gz OJGAMBRSFUXVFW-ABDUDLSGSA-N 2 1 349.563 3.435 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)C1 ZINC001754831053 1440695183 /nfs/dbraw/zinc/69/51/83/1440695183.db2.gz MMYZEQNXFOAKHV-AKHDSKFASA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)C1 ZINC001754831053 1440695184 /nfs/dbraw/zinc/69/51/84/1440695184.db2.gz MMYZEQNXFOAKHV-AKHDSKFASA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)C1 ZINC001754831053 1440695185 /nfs/dbraw/zinc/69/51/85/1440695185.db2.gz MMYZEQNXFOAKHV-AKHDSKFASA-N 2 1 349.563 3.124 20 0 EGADMP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C2 ZINC001754831929 1440695774 /nfs/dbraw/zinc/69/57/74/1440695774.db2.gz VDUBBBCCYLTDFG-FNLKRUPLSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001754838651 1440697347 /nfs/dbraw/zinc/69/73/47/1440697347.db2.gz MCLXYXFVXLSFBK-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC001754980371 1440721168 /nfs/dbraw/zinc/72/11/68/1440721168.db2.gz AAPVQOQYWZONLH-ROUUACIJSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@@H+](CCC(=O)NCC1([NH2+]CC2CCC2)CCC1)C1CCCCC1 ZINC001754989866 1440723905 /nfs/dbraw/zinc/72/39/05/1440723905.db2.gz XXBDTDFUWOJWGI-UHFFFAOYSA-N 2 1 335.536 3.070 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1)[NH+](CC)CC ZINC001755029919 1440730737 /nfs/dbraw/zinc/73/07/37/1440730737.db2.gz SPUGJFPIXOHSSW-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001755031301 1440731701 /nfs/dbraw/zinc/73/17/01/1440731701.db2.gz OOACDUVOPXBSJL-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)CC1 ZINC001755031301 1440731702 /nfs/dbraw/zinc/73/17/02/1440731702.db2.gz OOACDUVOPXBSJL-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2)CC1 ZINC001755031301 1440731703 /nfs/dbraw/zinc/73/17/03/1440731703.db2.gz OOACDUVOPXBSJL-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001755043324 1440738763 /nfs/dbraw/zinc/73/87/63/1440738763.db2.gz RWZGIUNIKPIHOK-IRXDYDNUSA-N 2 1 349.494 3.009 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001755043324 1440738764 /nfs/dbraw/zinc/73/87/64/1440738764.db2.gz RWZGIUNIKPIHOK-IRXDYDNUSA-N 2 1 349.494 3.009 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001755043324 1440738765 /nfs/dbraw/zinc/73/87/65/1440738765.db2.gz RWZGIUNIKPIHOK-IRXDYDNUSA-N 2 1 349.494 3.009 20 0 EGADMP CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCC(C)C)CC1 ZINC001755047098 1440741855 /nfs/dbraw/zinc/74/18/55/1440741855.db2.gz FINNFHDZZPHKLA-BGYRXZFFSA-N 2 1 349.563 3.362 20 0 EGADMP CCC1([NH2+]CCC(C)C)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001755071798 1440746869 /nfs/dbraw/zinc/74/68/69/1440746869.db2.gz GZXSCODNNXNUII-MOPGFXCFSA-N 2 1 349.563 3.410 20 0 EGADMP CCC1([NH2+]CC=C(C)C)CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001755072299 1440747053 /nfs/dbraw/zinc/74/70/53/1440747053.db2.gz WDYJHBJDBFFVMG-UHFFFAOYSA-N 2 1 346.519 3.299 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CC[N@H+](CC2CC2)CC1(C)C ZINC001755139120 1440759623 /nfs/dbraw/zinc/75/96/23/1440759623.db2.gz UGQPGHDDASBPNT-NVXWUHKLSA-N 2 1 346.519 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC1(C)C ZINC001755139120 1440759624 /nfs/dbraw/zinc/75/96/24/1440759624.db2.gz UGQPGHDDASBPNT-NVXWUHKLSA-N 2 1 346.519 3.023 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)CC1(C)C ZINC001755143396 1440762025 /nfs/dbraw/zinc/76/20/25/1440762025.db2.gz YHTZLHXDZJTDKE-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP C[C@H](F)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001755208792 1440782532 /nfs/dbraw/zinc/78/25/32/1440782532.db2.gz AZPNFAULMLHEJR-LPHOPBHVSA-N 2 1 349.494 3.033 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001755262498 1440794884 /nfs/dbraw/zinc/79/48/84/1440794884.db2.gz KXVLYWHUBOQXSS-IAGOWNOFSA-N 2 1 341.499 3.164 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001755326101 1440821856 /nfs/dbraw/zinc/82/18/56/1440821856.db2.gz JCQMPWBLUHJZTG-UONOGXRCSA-N 2 1 348.878 3.043 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001755326101 1440821857 /nfs/dbraw/zinc/82/18/57/1440821857.db2.gz JCQMPWBLUHJZTG-UONOGXRCSA-N 2 1 348.878 3.043 20 0 EGADMP O=C(NC1(C[NH2+]CC2CCC2)CCCCC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001755352847 1440828372 /nfs/dbraw/zinc/82/83/72/1440828372.db2.gz PBLYTLIMRVDPSJ-RBUKOAKNSA-N 2 1 347.547 3.212 20 0 EGADMP CCC[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001755366335 1440834557 /nfs/dbraw/zinc/83/45/57/1440834557.db2.gz PJWCIXUMOIMCJZ-IBGZPJMESA-N 2 1 337.552 3.412 20 0 EGADMP CCC[NH+]1CCCCC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001755366335 1440834558 /nfs/dbraw/zinc/83/45/58/1440834558.db2.gz PJWCIXUMOIMCJZ-IBGZPJMESA-N 2 1 337.552 3.412 20 0 EGADMP CCC[NH+]1CCCCC[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001755366335 1440834559 /nfs/dbraw/zinc/83/45/59/1440834559.db2.gz PJWCIXUMOIMCJZ-IBGZPJMESA-N 2 1 337.552 3.412 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CC1)[NH+]1CCCC1 ZINC001755367717 1440835690 /nfs/dbraw/zinc/83/56/90/1440835690.db2.gz JCFKOMVXDNKGMB-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](C(=O)NC[C@H]1CCCCC[N@H+]1CC1CC1)[NH+]1CCCCCC1 ZINC001755367670 1440835712 /nfs/dbraw/zinc/83/57/12/1440835712.db2.gz HTTKOTBHCGKXSR-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001755451127 1440853540 /nfs/dbraw/zinc/85/35/40/1440853540.db2.gz BFMVLXBJTPTNEH-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1C[C@]2(C)C[N@@H+](C(C)C)C[C@]2(C)C1 ZINC001755460989 1440857415 /nfs/dbraw/zinc/85/74/15/1440857415.db2.gz SWXXBPSKTURROO-BGYRXZFFSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1C[C@]2(C)C[N@H+](C(C)C)C[C@]2(C)C1 ZINC001755460989 1440857416 /nfs/dbraw/zinc/85/74/16/1440857416.db2.gz SWXXBPSKTURROO-BGYRXZFFSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001755473594 1440859151 /nfs/dbraw/zinc/85/91/51/1440859151.db2.gz SXQOJUWBQJCLBJ-UFYCRDLUSA-N 2 1 347.547 3.236 20 0 EGADMP CC(C)c1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001755590077 1440881325 /nfs/dbraw/zinc/88/13/25/1440881325.db2.gz HHJUMHYAAIVUIG-KRWDZBQOSA-N 2 1 345.531 3.231 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](C/C=C/c2ccccc2)[C@@H]1C ZINC001755722032 1440907931 /nfs/dbraw/zinc/90/79/31/1440907931.db2.gz DTYABLGVSFPGMT-MRDYICJFSA-N 2 1 343.515 3.009 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)[C@@H]1C ZINC001755722032 1440907932 /nfs/dbraw/zinc/90/79/32/1440907932.db2.gz DTYABLGVSFPGMT-MRDYICJFSA-N 2 1 343.515 3.009 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)[C@@H]1C ZINC001755722032 1440907933 /nfs/dbraw/zinc/90/79/33/1440907933.db2.gz DTYABLGVSFPGMT-MRDYICJFSA-N 2 1 343.515 3.009 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001755724491 1440908796 /nfs/dbraw/zinc/90/87/96/1440908796.db2.gz VXRRLKPDJQVLFY-DSQZMVHQSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H](C)c2ccccc2C)C(C)(C)C1 ZINC001755765102 1440915944 /nfs/dbraw/zinc/91/59/44/1440915944.db2.gz INZXNLUBLJQWCM-IEBWSBKVSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@H](C)c2ccccc2)C(C)(C)C1 ZINC001755765456 1440916056 /nfs/dbraw/zinc/91/60/56/1440916056.db2.gz PMAMHVGAMYXWGL-IEBWSBKVSA-N 2 1 345.531 3.306 20 0 EGADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1(C)C ZINC001755774534 1440917088 /nfs/dbraw/zinc/91/70/88/1440917088.db2.gz MWYHOHQJNKCAKE-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001755809510 1440919164 /nfs/dbraw/zinc/91/91/64/1440919164.db2.gz SCXKSNZTQSOOJP-ICSRJNTNSA-N 2 1 345.531 3.319 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+](C)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001755809510 1440919165 /nfs/dbraw/zinc/91/91/65/1440919165.db2.gz SCXKSNZTQSOOJP-ICSRJNTNSA-N 2 1 345.531 3.319 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+](C)CCN(C(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001755809510 1440919166 /nfs/dbraw/zinc/91/91/66/1440919166.db2.gz SCXKSNZTQSOOJP-ICSRJNTNSA-N 2 1 345.531 3.319 20 0 EGADMP CC(C)=CC[N@H+](C)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001755814874 1440922954 /nfs/dbraw/zinc/92/29/54/1440922954.db2.gz ROAPPUMZJSBFMQ-LJQANCHMSA-N 2 1 337.552 3.386 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001755861605 1440936922 /nfs/dbraw/zinc/93/69/22/1440936922.db2.gz CBINLIPOTQIUJH-AOCRQIFASA-N 2 1 339.568 3.226 20 0 EGADMP CC(C)CC[N@H+]1CC=C(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001755899831 1440943730 /nfs/dbraw/zinc/94/37/30/1440943730.db2.gz WCAAGXZKSZHIGY-FQEVSTJZSA-N 2 1 343.515 3.084 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001755899831 1440943731 /nfs/dbraw/zinc/94/37/31/1440943731.db2.gz WCAAGXZKSZHIGY-FQEVSTJZSA-N 2 1 343.515 3.084 20 0 EGADMP Cc1cc(Cl)c(C)nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681133 719629404 /nfs/dbraw/zinc/62/94/04/719629404.db2.gz BGKCOWOERHIALF-UHFFFAOYSA-N 2 1 347.894 3.023 20 0 EGADMP Cc1cc(Cl)c(C)nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681133 719629406 /nfs/dbraw/zinc/62/94/06/719629406.db2.gz BGKCOWOERHIALF-UHFFFAOYSA-N 2 1 347.894 3.023 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)c2ccccc2)CC1 ZINC000052209350 214122281 /nfs/dbraw/zinc/12/22/81/214122281.db2.gz WVYAAVRMHIJCGT-UHFFFAOYSA-N 2 1 331.504 3.093 20 0 EGADMP C[N@@H+](CCCO)C1CC[NH+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187297784 529893834 /nfs/dbraw/zinc/89/38/34/529893834.db2.gz UPBVIBMNZGZYIG-RTWAWAEBSA-N 2 1 330.516 3.275 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(=O)N2CCCCC2)cc1 ZINC000178200625 232107052 /nfs/dbraw/zinc/10/70/52/232107052.db2.gz VFIYATQHVYVEKN-INIZCTEOSA-N 2 1 340.471 3.234 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)CC[N@H+]1C ZINC000181596079 234246683 /nfs/dbraw/zinc/24/66/83/234246683.db2.gz NEVVVPLGVOHRKL-XJKSGUPXSA-N 2 1 330.394 3.338 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)cc1 ZINC000361077379 283188984 /nfs/dbraw/zinc/18/89/84/283188984.db2.gz AZBPZTNHRJTUEP-WOJBJXKFSA-N 2 1 343.515 3.036 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000130353340 223145859 /nfs/dbraw/zinc/14/58/59/223145859.db2.gz ZPCRLZOPANIJNS-UHFFFAOYSA-N 2 1 339.439 3.437 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000130353340 223145861 /nfs/dbraw/zinc/14/58/61/223145861.db2.gz ZPCRLZOPANIJNS-UHFFFAOYSA-N 2 1 339.439 3.437 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C(=O)OC(C)C)cc1 ZINC000130491082 223157213 /nfs/dbraw/zinc/15/72/13/223157213.db2.gz YJENTWLPDWHKOW-UHFFFAOYSA-N 2 1 329.444 3.279 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C(=O)OC(C)C)cc1 ZINC000130491082 223157217 /nfs/dbraw/zinc/15/72/17/223157217.db2.gz YJENTWLPDWHKOW-UHFFFAOYSA-N 2 1 329.444 3.279 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1)C(C)C ZINC000262584316 245046153 /nfs/dbraw/zinc/04/61/53/245046153.db2.gz NOKXWITYCPKFGU-QFBILLFUSA-N 2 1 331.504 3.116 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000263261071 245374529 /nfs/dbraw/zinc/37/45/29/245374529.db2.gz MKNGJKAPSFMMOJ-JXFKEZNVSA-N 2 1 339.483 3.091 20 0 EGADMP C[C@H](O)c1ncc(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)s1 ZINC000377540472 169038611 /nfs/dbraw/zinc/03/86/11/169038611.db2.gz JRCCXTLKKXAGBJ-OWCLPIDISA-N 2 1 337.533 3.283 20 0 EGADMP C[N@H+](Cc1ccc(Oc2cnccn2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253889 218130914 /nfs/dbraw/zinc/13/09/14/218130914.db2.gz UPWVNMGZOXPNHE-KRWDZBQOSA-N 2 1 326.444 3.043 20 0 EGADMP C[NH+](Cc1ccc(Oc2cnccn2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253889 218130916 /nfs/dbraw/zinc/13/09/16/218130916.db2.gz UPWVNMGZOXPNHE-KRWDZBQOSA-N 2 1 326.444 3.043 20 0 EGADMP C[NH+](Cc1ccc(Oc2cnccn2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253889 218130918 /nfs/dbraw/zinc/13/09/18/218130918.db2.gz UPWVNMGZOXPNHE-KRWDZBQOSA-N 2 1 326.444 3.043 20 0 EGADMP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597698 218234298 /nfs/dbraw/zinc/23/42/98/218234298.db2.gz XCGKTNQEPJIMMY-HNNXBMFYSA-N 2 1 328.435 3.134 20 0 EGADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597698 218234302 /nfs/dbraw/zinc/23/43/02/218234302.db2.gz XCGKTNQEPJIMMY-HNNXBMFYSA-N 2 1 328.435 3.134 20 0 EGADMP c1cnc(Oc2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2)cn1 ZINC000093604517 218234698 /nfs/dbraw/zinc/23/46/98/218234698.db2.gz OPDMKCSZJNQMAO-GOSISDBHSA-N 2 1 338.455 3.187 20 0 EGADMP c1cnc(Oc2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2)cn1 ZINC000093604517 218234700 /nfs/dbraw/zinc/23/47/00/218234700.db2.gz OPDMKCSZJNQMAO-GOSISDBHSA-N 2 1 338.455 3.187 20 0 EGADMP COCCOc1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564040 218232226 /nfs/dbraw/zinc/23/22/26/218232226.db2.gz CMRROMDXHZNVDJ-IBGZPJMESA-N 2 1 332.488 3.162 20 0 EGADMP COCCOc1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564040 218232227 /nfs/dbraw/zinc/23/22/27/218232227.db2.gz CMRROMDXHZNVDJ-IBGZPJMESA-N 2 1 332.488 3.162 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262243494 296314375 /nfs/dbraw/zinc/31/43/75/296314375.db2.gz BZGGJRBUNWLRQW-FUHIMQAGSA-N 2 1 343.515 3.195 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000268744679 252195866 /nfs/dbraw/zinc/19/58/66/252195866.db2.gz FEQZCJNNBBTIFK-LPHOPBHVSA-N 2 1 325.456 3.090 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000268744679 252195869 /nfs/dbraw/zinc/19/58/69/252195869.db2.gz FEQZCJNNBBTIFK-LPHOPBHVSA-N 2 1 325.456 3.090 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000268753065 252203870 /nfs/dbraw/zinc/20/38/70/252203870.db2.gz IOMHSSARKPMGDA-APWZRJJASA-N 2 1 325.456 3.233 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000268753065 252203873 /nfs/dbraw/zinc/20/38/73/252203873.db2.gz IOMHSSARKPMGDA-APWZRJJASA-N 2 1 325.456 3.233 20 0 EGADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000268789869 252239364 /nfs/dbraw/zinc/23/93/64/252239364.db2.gz XIQJMEDWPHWPQL-HNAYVOBHSA-N 2 1 329.513 3.494 20 0 EGADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000268789862 252240713 /nfs/dbraw/zinc/24/07/13/252240713.db2.gz XIQJMEDWPHWPQL-BEFAXECRSA-N 2 1 329.513 3.494 20 0 EGADMP C[C@@H]1C[C@H](NC[C@H]2CC[NH+](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000268815490 252267714 /nfs/dbraw/zinc/26/77/14/252267714.db2.gz MDVSGSIKKKMMGU-MISYRCLQSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000268815490 252267717 /nfs/dbraw/zinc/26/77/17/252267717.db2.gz MDVSGSIKKKMMGU-MISYRCLQSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000268815490 252267722 /nfs/dbraw/zinc/26/77/22/252267722.db2.gz MDVSGSIKKKMMGU-MISYRCLQSA-N 2 1 327.516 3.113 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000153760249 224154447 /nfs/dbraw/zinc/15/44/47/224154447.db2.gz CQQUSNMUXJARPI-LSDHHAIUSA-N 2 1 335.517 3.346 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCO[C@H](C4CC4)C3)CC2)cc1 ZINC000155151006 224366844 /nfs/dbraw/zinc/36/68/44/224366844.db2.gz QBWCHBICJNBJDP-RTWAWAEBSA-N 2 1 346.490 3.380 20 0 EGADMP CSCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000164570280 533604758 /nfs/dbraw/zinc/60/47/58/533604758.db2.gz MVENRRFLNLEQHO-WMLDXEAASA-N 2 1 335.517 3.080 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)c(OC(F)F)c2)[C@@H](C)C1 ZINC000246949634 141045940 /nfs/dbraw/zinc/04/59/40/141045940.db2.gz IHHZIVGMRXUTIC-DZGCQCFKSA-N 2 1 342.430 3.159 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338022377 141075318 /nfs/dbraw/zinc/07/53/18/141075318.db2.gz MLCKYPJPOWJJMZ-AJYBTWMASA-N 2 1 343.515 3.029 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338022377 141075319 /nfs/dbraw/zinc/07/53/19/141075319.db2.gz MLCKYPJPOWJJMZ-AJYBTWMASA-N 2 1 343.515 3.029 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338022377 141075320 /nfs/dbraw/zinc/07/53/20/141075320.db2.gz MLCKYPJPOWJJMZ-AJYBTWMASA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338045916 141080298 /nfs/dbraw/zinc/08/02/98/141080298.db2.gz SNDBCQAIDBKPIP-ILOCAZANSA-N 2 1 337.552 3.120 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@@H](C4CCOCC4)C3)sc2C1 ZINC000346199118 141179035 /nfs/dbraw/zinc/17/90/35/141179035.db2.gz LDCOSJAIYPKTNU-MRXNPFEDSA-N 2 1 349.544 3.158 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@@H](C4CCOCC4)C3)sc2C1 ZINC000346199118 141179036 /nfs/dbraw/zinc/17/90/36/141179036.db2.gz LDCOSJAIYPKTNU-MRXNPFEDSA-N 2 1 349.544 3.158 20 0 EGADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@@H](C4CCOCC4)C3)sc2C1 ZINC000346199118 141179037 /nfs/dbraw/zinc/17/90/37/141179037.db2.gz LDCOSJAIYPKTNU-MRXNPFEDSA-N 2 1 349.544 3.158 20 0 EGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@@H](C4CCOCC4)C3)sc2C1 ZINC000346199118 141179038 /nfs/dbraw/zinc/17/90/38/141179038.db2.gz LDCOSJAIYPKTNU-MRXNPFEDSA-N 2 1 349.544 3.158 20 0 EGADMP C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347971598 141226193 /nfs/dbraw/zinc/22/61/93/141226193.db2.gz XYUFCUMNRNHOHF-IHPCNDPISA-N 2 1 341.499 3.383 20 0 EGADMP CCc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3scnc3C)C2)cn1 ZINC000348170730 141243280 /nfs/dbraw/zinc/24/32/80/141243280.db2.gz BSQBSIZFXWHCCN-QGZVFWFLSA-N 2 1 344.528 3.363 20 0 EGADMP CCc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3scnc3C)C2)cn1 ZINC000348170730 141243283 /nfs/dbraw/zinc/24/32/83/141243283.db2.gz BSQBSIZFXWHCCN-QGZVFWFLSA-N 2 1 344.528 3.363 20 0 EGADMP Cc1cc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c(C)s1 ZINC000352954717 141276672 /nfs/dbraw/zinc/27/66/72/141276672.db2.gz GKIBFDLAGXRJFA-HOTGVXAUSA-N 2 1 335.561 3.355 20 0 EGADMP C[NH+]1CCC(CCO)([NH2+]Cc2cc(-c3ccccc3)cs2)CC1 ZINC000352972960 141280828 /nfs/dbraw/zinc/28/08/28/141280828.db2.gz UYNNROBXDHSZHQ-UHFFFAOYSA-N 2 1 330.497 3.352 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(CC[NH+](C)C)C2CC2)cc1 ZINC000356269690 141332450 /nfs/dbraw/zinc/33/24/50/141332450.db2.gz ADZIJLINUCPGNN-UHFFFAOYSA-N 2 1 331.504 3.085 20 0 EGADMP C[C@H](CCCC(F)(F)F)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000359634291 141392549 /nfs/dbraw/zinc/39/25/49/141392549.db2.gz NBAIZJVTUCGJCM-NVXWUHKLSA-N 2 1 344.421 3.334 20 0 EGADMP C[C@H](CCCC(F)(F)F)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000359634291 141392552 /nfs/dbraw/zinc/39/25/52/141392552.db2.gz NBAIZJVTUCGJCM-NVXWUHKLSA-N 2 1 344.421 3.334 20 0 EGADMP Cc1cncc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000184381269 144092185 /nfs/dbraw/zinc/09/21/85/144092185.db2.gz CVPWGYOFURKKEM-OAHLLOKOSA-N 2 1 325.460 3.116 20 0 EGADMP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)C1CC1 ZINC000343217944 144195801 /nfs/dbraw/zinc/19/58/01/144195801.db2.gz BSKWWMICAXASOU-HXUWFJFHSA-N 2 1 343.515 3.060 20 0 EGADMP CCOc1c(Cl)cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000347031142 144251518 /nfs/dbraw/zinc/25/15/18/144251518.db2.gz YDLSTPCTIDXMPS-YIONKMFJSA-N 2 1 338.879 3.462 20 0 EGADMP CCOc1c(Cl)cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000347031142 144251520 /nfs/dbraw/zinc/25/15/20/144251520.db2.gz YDLSTPCTIDXMPS-YIONKMFJSA-N 2 1 338.879 3.462 20 0 EGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351479515 144267330 /nfs/dbraw/zinc/26/73/30/144267330.db2.gz RJTXFENSJLTFBZ-BQPHKTIFSA-N 2 1 332.835 3.120 20 0 EGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351479515 144267332 /nfs/dbraw/zinc/26/73/32/144267332.db2.gz RJTXFENSJLTFBZ-BQPHKTIFSA-N 2 1 332.835 3.120 20 0 EGADMP Cc1noc([C@@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000677819762 549337914 /nfs/dbraw/zinc/33/79/14/549337914.db2.gz QEVPAWGKDCWMSP-MRXNPFEDSA-N 2 1 340.471 3.427 20 0 EGADMP Cc1noc([C@@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000677819762 549337915 /nfs/dbraw/zinc/33/79/15/549337915.db2.gz QEVPAWGKDCWMSP-MRXNPFEDSA-N 2 1 340.471 3.427 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000341492952 155321303 /nfs/dbraw/zinc/32/13/03/155321303.db2.gz FMNDDQVLLBROEX-LJQANCHMSA-N 2 1 344.547 3.290 20 0 EGADMP CCN(C)c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000190667714 153153960 /nfs/dbraw/zinc/15/39/60/153153960.db2.gz HOVKMQLKEIDRDJ-UHFFFAOYSA-N 2 1 338.499 3.292 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CC1 ZINC000193308747 153286733 /nfs/dbraw/zinc/28/67/33/153286733.db2.gz JUYCMHHWURLCDW-VTHDOGFWSA-N 2 1 327.516 3.112 20 0 EGADMP C[NH+](Cc1ccccc1)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000193308747 153286740 /nfs/dbraw/zinc/28/67/40/153286740.db2.gz JUYCMHHWURLCDW-VTHDOGFWSA-N 2 1 327.516 3.112 20 0 EGADMP C[NH+](Cc1ccccc1)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000193308747 153286746 /nfs/dbraw/zinc/28/67/46/153286746.db2.gz JUYCMHHWURLCDW-VTHDOGFWSA-N 2 1 327.516 3.112 20 0 EGADMP CN(Cc1ccccc1)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000193308747 153286752 /nfs/dbraw/zinc/28/67/52/153286752.db2.gz JUYCMHHWURLCDW-VTHDOGFWSA-N 2 1 327.516 3.112 20 0 EGADMP CN(Cc1ccccc1)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000193308747 153286760 /nfs/dbraw/zinc/28/67/60/153286760.db2.gz JUYCMHHWURLCDW-VTHDOGFWSA-N 2 1 327.516 3.112 20 0 EGADMP O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000193461452 153292773 /nfs/dbraw/zinc/29/27/73/153292773.db2.gz GVLNHGRVGGGQTG-SFHVURJKSA-N 2 1 329.488 3.213 20 0 EGADMP C[C@H](CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[N@@H+](C)Cc1ccccc1 ZINC000194066334 153320585 /nfs/dbraw/zinc/32/05/85/153320585.db2.gz GRUXTGRPSZKFPS-VBSBHUPXSA-N 2 1 328.500 3.444 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC000303182314 154039007 /nfs/dbraw/zinc/03/90/07/154039007.db2.gz KWAJSIHOUMEQGC-GGPKGHCWSA-N 2 1 345.531 3.164 20 0 EGADMP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000311151747 154146689 /nfs/dbraw/zinc/14/66/89/154146689.db2.gz NIWGQPPFKXFFDF-AZUAARDMSA-N 2 1 338.499 3.299 20 0 EGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336693948 154209195 /nfs/dbraw/zinc/20/91/95/154209195.db2.gz IBZNBHLBTWEJPH-WOJBJXKFSA-N 2 1 326.488 3.019 20 0 EGADMP FC(F)(F)OCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000336655089 154209631 /nfs/dbraw/zinc/20/96/31/154209631.db2.gz FNNLOKXFDBXKDA-ARFHVFGLSA-N 2 1 328.378 3.023 20 0 EGADMP Brc1c[nH+]ccc1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336702570 154210212 /nfs/dbraw/zinc/21/02/12/154210212.db2.gz FEOYCGYMKVESIA-OAHLLOKOSA-N 2 1 346.272 3.200 20 0 EGADMP Brc1c[nH+]ccc1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336702570 154210216 /nfs/dbraw/zinc/21/02/16/154210216.db2.gz FEOYCGYMKVESIA-OAHLLOKOSA-N 2 1 346.272 3.200 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCCC34CCOCC4)sc2C1 ZINC000337284878 154259398 /nfs/dbraw/zinc/25/93/98/154259398.db2.gz JSSLRLKHAIMFGL-KRWDZBQOSA-N 2 1 349.544 3.349 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCCC34CCOCC4)sc2C1 ZINC000337284878 154259399 /nfs/dbraw/zinc/25/93/99/154259399.db2.gz JSSLRLKHAIMFGL-KRWDZBQOSA-N 2 1 349.544 3.349 20 0 EGADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000337328429 154287492 /nfs/dbraw/zinc/28/74/92/154287492.db2.gz DYUSKKIVXNVTBY-DNXIFWLFSA-N 2 1 342.405 3.155 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1OC ZINC000337403359 154334565 /nfs/dbraw/zinc/33/45/65/154334565.db2.gz RYYSZDQHUFFUBW-RYQLBKOJSA-N 2 1 332.488 3.160 20 0 EGADMP C[C@H]1CN(c2ccccc2C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CCO1 ZINC000339986515 155061911 /nfs/dbraw/zinc/06/19/11/155061911.db2.gz AFRGSSFVMZYSFV-KRWDZBQOSA-N 2 1 345.531 3.264 20 0 EGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132833540 292336648 /nfs/dbraw/zinc/33/66/48/292336648.db2.gz JDXUKGHBLQQVCD-XLIONFOSSA-N 2 1 344.499 3.299 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)C[C@@H]21 ZINC000346818051 156151443 /nfs/dbraw/zinc/15/14/43/156151443.db2.gz AILZHJNAUOFUKA-VNHYZAJKSA-N 2 1 346.368 3.326 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000346932334 156202023 /nfs/dbraw/zinc/20/20/23/156202023.db2.gz CBVUOZDEKYHLOU-INIZCTEOSA-N 2 1 333.520 3.180 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347036766 156259476 /nfs/dbraw/zinc/25/94/76/156259476.db2.gz HFNRCWGANFYIDS-FOIQADDNSA-N 2 1 326.488 3.026 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347036766 156259480 /nfs/dbraw/zinc/25/94/80/156259480.db2.gz HFNRCWGANFYIDS-FOIQADDNSA-N 2 1 326.488 3.026 20 0 EGADMP C[NH+](C)CCN(Cc1ncc(C[NH+](C)C)s1)CC1CCCCC1 ZINC000349073870 156344227 /nfs/dbraw/zinc/34/42/27/156344227.db2.gz LTGUVKUTPQFTFP-UHFFFAOYSA-N 2 1 338.565 3.149 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000349122578 156358758 /nfs/dbraw/zinc/35/87/58/156358758.db2.gz ZENPURMJMIMSKJ-IAGOWNOFSA-N 2 1 337.533 3.122 20 0 EGADMP Cc1cnc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000365546147 157165414 /nfs/dbraw/zinc/16/54/14/157165414.db2.gz BGOXOVODUAGGBR-UHFFFAOYSA-N 2 1 336.549 3.084 20 0 EGADMP Cc1nccn1CCCC[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000368691922 157265325 /nfs/dbraw/zinc/26/53/25/157265325.db2.gz KXWWRZBOVSDIES-NRFANRHFSA-N 2 1 341.499 3.289 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000368691922 157265329 /nfs/dbraw/zinc/26/53/29/157265329.db2.gz KXWWRZBOVSDIES-NRFANRHFSA-N 2 1 341.499 3.289 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000368691922 157265332 /nfs/dbraw/zinc/26/53/32/157265332.db2.gz KXWWRZBOVSDIES-NRFANRHFSA-N 2 1 341.499 3.289 20 0 EGADMP COc1cc(C)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000093683694 162022297 /nfs/dbraw/zinc/02/22/97/162022297.db2.gz STXLWCAMTNBDGO-QGZVFWFLSA-N 2 1 332.488 3.320 20 0 EGADMP COc1cc(C)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000093683694 162022302 /nfs/dbraw/zinc/02/23/02/162022302.db2.gz STXLWCAMTNBDGO-QGZVFWFLSA-N 2 1 332.488 3.320 20 0 EGADMP Fc1cc(Br)cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000093981853 162034271 /nfs/dbraw/zinc/03/42/71/162034271.db2.gz YVFKVSDLBGXDPW-LLVKDONJSA-N 2 1 327.241 3.162 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)NC2CCCC2)C1 ZINC000113934000 162219171 /nfs/dbraw/zinc/21/91/71/162219171.db2.gz LQTXZHVSZFNDFV-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000113934000 162219175 /nfs/dbraw/zinc/21/91/75/162219175.db2.gz LQTXZHVSZFNDFV-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000113934000 162219180 /nfs/dbraw/zinc/21/91/80/162219180.db2.gz LQTXZHVSZFNDFV-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000123878438 162258048 /nfs/dbraw/zinc/25/80/48/162258048.db2.gz PPJHXOLNNGLQQJ-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000125171991 162265758 /nfs/dbraw/zinc/26/57/58/162265758.db2.gz CBJHGNGWKDQXFN-ROUUACIJSA-N 2 1 345.531 3.449 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCC[C@@H]5OCC[C@H]54)[C@@H]3C2)cc1 ZINC000248411335 163001489 /nfs/dbraw/zinc/00/14/89/163001489.db2.gz ICQYBUFWEZXHNB-RBFKZVKLSA-N 2 1 340.511 3.444 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(F)c1F ZINC000248440382 163005026 /nfs/dbraw/zinc/00/50/26/163005026.db2.gz JKBFUFBUMZIDAX-RHSMWYFYSA-N 2 1 346.421 3.382 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000337951010 163194858 /nfs/dbraw/zinc/19/48/58/163194858.db2.gz VZRRCFGUTKAAJH-UHFFFAOYSA-N 2 1 336.439 3.345 20 0 EGADMP CCc1oc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1C(=O)OC ZINC000338943389 163397759 /nfs/dbraw/zinc/39/77/59/163397759.db2.gz YGKOMEKEBBRTFP-HNNXBMFYSA-N 2 1 336.476 3.373 20 0 EGADMP CC[C@]1(C)CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000344246272 164136178 /nfs/dbraw/zinc/13/61/78/164136178.db2.gz XCZQXYDLUBMCNM-OAQYLSRUSA-N 2 1 343.515 3.021 20 0 EGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000346184394 164359191 /nfs/dbraw/zinc/35/91/91/164359191.db2.gz TXEHKNWAZFSZPK-IBGZPJMESA-N 2 1 333.439 3.262 20 0 EGADMP CCc1cccnc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000359228179 167101159 /nfs/dbraw/zinc/10/11/59/167101159.db2.gz HCPULVPBIDMBKB-OXJNMPFZSA-N 2 1 339.483 3.061 20 0 EGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000359552742 167190372 /nfs/dbraw/zinc/19/03/72/167190372.db2.gz GTASMHAPVKWJCC-WDYCEAGBSA-N 2 1 343.471 3.128 20 0 EGADMP COC1(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CCCC1 ZINC000359731337 167217401 /nfs/dbraw/zinc/21/74/01/167217401.db2.gz AZFQYWQNIHDCRH-UHFFFAOYSA-N 2 1 335.492 3.052 20 0 EGADMP CCC(CC)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365913094 168058871 /nfs/dbraw/zinc/05/88/71/168058871.db2.gz VXVJSMKPTWBZQF-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000366224893 168096134 /nfs/dbraw/zinc/09/61/34/168096134.db2.gz ZEXQDWPURNAUJK-JBACZVJFSA-N 2 1 329.532 3.219 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000366224893 168096136 /nfs/dbraw/zinc/09/61/36/168096136.db2.gz ZEXQDWPURNAUJK-JBACZVJFSA-N 2 1 329.532 3.219 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000366224893 168096138 /nfs/dbraw/zinc/09/61/38/168096138.db2.gz ZEXQDWPURNAUJK-JBACZVJFSA-N 2 1 329.532 3.219 20 0 EGADMP CC[NH+](CC)[C@H](C[NH2+]C1CCN(c2nccs2)CC1)CC(C)C ZINC000367789002 168270284 /nfs/dbraw/zinc/27/02/84/168270284.db2.gz AZDCUIKSWZCIBY-KRWDZBQOSA-N 2 1 338.565 3.458 20 0 EGADMP C[C@@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCC[C@H]1O ZINC000159194238 225167691 /nfs/dbraw/zinc/16/76/91/225167691.db2.gz UMCWVXGVVYVOKY-RTWAWAEBSA-N 2 1 348.506 3.363 20 0 EGADMP c1cc2c(cc1[C@@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)C1CC1)OCCO2 ZINC000166359802 226157178 /nfs/dbraw/zinc/15/71/78/226157178.db2.gz MVYIXPSPIFCIOI-QKLQHJQFSA-N 2 1 328.456 3.125 20 0 EGADMP CCCc1nc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cs1 ZINC000173959780 265013661 /nfs/dbraw/zinc/01/36/61/265013661.db2.gz INPLQKCLEBIVEB-UHFFFAOYSA-N 2 1 337.533 3.172 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccc(OC(F)(F)F)cc2)CCN1C ZINC000174173386 265030054 /nfs/dbraw/zinc/03/00/54/265030054.db2.gz JUSXRUKGYZQUSM-ZIAGYGMSSA-N 2 1 346.393 3.379 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000174173386 265030057 /nfs/dbraw/zinc/03/00/57/265030057.db2.gz JUSXRUKGYZQUSM-ZIAGYGMSSA-N 2 1 346.393 3.379 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000174173386 265030060 /nfs/dbraw/zinc/03/00/60/265030060.db2.gz JUSXRUKGYZQUSM-ZIAGYGMSSA-N 2 1 346.393 3.379 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178634915 265331402 /nfs/dbraw/zinc/33/14/02/265331402.db2.gz BDGLXVHAJOKMPP-LQWHRVPQSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178634915 265331406 /nfs/dbraw/zinc/33/14/06/265331406.db2.gz BDGLXVHAJOKMPP-LQWHRVPQSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)Sc1ccc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000178672267 265335245 /nfs/dbraw/zinc/33/52/45/265335245.db2.gz FEKRPYKKVQVHKD-MRXNPFEDSA-N 2 1 349.544 3.002 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000179469875 265379648 /nfs/dbraw/zinc/37/96/48/265379648.db2.gz LOJXMVUGIUKISJ-UHFFFAOYSA-N 2 1 331.435 3.406 20 0 EGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000218105359 266194881 /nfs/dbraw/zinc/19/48/81/266194881.db2.gz WOWQMSAEXOCRDA-QQFBHYJXSA-N 2 1 327.513 3.142 20 0 EGADMP CC[C@H](C(=O)Nc1ccccc1C[NH+]1CCSCC1)[NH+](CC)CC ZINC000274006690 267163674 /nfs/dbraw/zinc/16/36/74/267163674.db2.gz ADKQFZUSFMRNLV-GOSISDBHSA-N 2 1 349.544 3.294 20 0 EGADMP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274759421 267282749 /nfs/dbraw/zinc/28/27/49/267282749.db2.gz JQIAGIAVSNETNT-AZUAARDMSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274759421 267282753 /nfs/dbraw/zinc/28/27/53/267282753.db2.gz JQIAGIAVSNETNT-AZUAARDMSA-N 2 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)CC1 ZINC000274821864 267292695 /nfs/dbraw/zinc/29/26/95/267292695.db2.gz YNNLXVWNRVQHAI-HNNXBMFYSA-N 2 1 341.421 3.358 20 0 EGADMP CC(C)N(C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000274852221 267297668 /nfs/dbraw/zinc/29/76/68/267297668.db2.gz RJLVWLIREBLVDP-UYAOXDASSA-N 2 1 345.531 3.132 20 0 EGADMP CC(C)N(C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000274852221 267297670 /nfs/dbraw/zinc/29/76/70/267297670.db2.gz RJLVWLIREBLVDP-UYAOXDASSA-N 2 1 345.531 3.132 20 0 EGADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275555996 267380809 /nfs/dbraw/zinc/38/08/09/267380809.db2.gz NQFSZVUTDVTPDY-CVEARBPZSA-N 2 1 340.471 3.015 20 0 EGADMP C[NH+](C)CCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000037213721 275123602 /nfs/dbraw/zinc/12/36/02/275123602.db2.gz GDUXRENFBKXQKW-AWEZNQCLSA-N 2 1 327.266 3.204 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192047975 275222999 /nfs/dbraw/zinc/22/29/99/275222999.db2.gz VVBBIPRMMFUJIZ-SFHVURJKSA-N 2 1 326.488 3.344 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000277038066 275254205 /nfs/dbraw/zinc/25/42/05/275254205.db2.gz BOWMJULYVFWLRQ-RTBURBONSA-N 2 1 348.531 3.140 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000277038066 275254206 /nfs/dbraw/zinc/25/42/06/275254206.db2.gz BOWMJULYVFWLRQ-RTBURBONSA-N 2 1 348.531 3.140 20 0 EGADMP COCCSCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000278924575 275288095 /nfs/dbraw/zinc/28/80/95/275288095.db2.gz VJIWLSRUMRZXLK-IEBWSBKVSA-N 2 1 336.545 3.256 20 0 EGADMP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000287227296 276098599 /nfs/dbraw/zinc/09/85/99/276098599.db2.gz XXWFBTLMKWNUIE-JTDSTZFVSA-N 2 1 346.519 3.108 20 0 EGADMP COc1ccncc1COC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000287347272 276110651 /nfs/dbraw/zinc/11/06/51/276110651.db2.gz ZHLYNGPMNXMXDW-KRWDZBQOSA-N 2 1 340.423 3.046 20 0 EGADMP COC[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1F ZINC000287845834 276162850 /nfs/dbraw/zinc/16/28/50/276162850.db2.gz WMBXPCLXFNNEDO-LRDDRELGSA-N 2 1 326.843 3.241 20 0 EGADMP CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000344477570 276243197 /nfs/dbraw/zinc/24/31/97/276243197.db2.gz HGAHQFWBDBXCGC-DYESRHJHSA-N 2 1 341.499 3.341 20 0 EGADMP CCC[NH+]1CCC(CNC(=O)[C@H](CC)[N@@H+](C)Cc2ccccc2)CC1 ZINC000353776365 276257196 /nfs/dbraw/zinc/25/71/96/276257196.db2.gz IQKDOKVTTBSMTE-FQEVSTJZSA-N 2 1 345.531 3.135 20 0 EGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(Cl)cc1-n1cncn1 ZINC000349371403 276324056 /nfs/dbraw/zinc/32/40/56/276324056.db2.gz SUHNVXUJYZAHRP-UHFFFAOYSA-N 2 1 349.910 3.475 20 0 EGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(Cl)cc1-n1cncn1 ZINC000349371403 276324058 /nfs/dbraw/zinc/32/40/58/276324058.db2.gz SUHNVXUJYZAHRP-UHFFFAOYSA-N 2 1 349.910 3.475 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000289367413 276328589 /nfs/dbraw/zinc/32/85/89/276328589.db2.gz ZXCNIJQVQHKMGL-ZWKOTPCHSA-N 2 1 347.503 3.360 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000289367413 276328591 /nfs/dbraw/zinc/32/85/91/276328591.db2.gz ZXCNIJQVQHKMGL-ZWKOTPCHSA-N 2 1 347.503 3.360 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)CCCO1 ZINC000289435773 276338712 /nfs/dbraw/zinc/33/87/12/276338712.db2.gz FIZVGGSYGATZJK-ZDUSSCGKSA-N 2 1 346.393 3.002 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)CCCO1 ZINC000289435773 276338714 /nfs/dbraw/zinc/33/87/14/276338714.db2.gz FIZVGGSYGATZJK-ZDUSSCGKSA-N 2 1 346.393 3.002 20 0 EGADMP Fc1ccc([C@H](C[C@H]2CCCO2)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000290045962 276439046 /nfs/dbraw/zinc/43/90/46/276439046.db2.gz BTUKZECAIRWILB-IPELMVKDSA-N 2 1 343.446 3.485 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc4ccccc4[nH]c3=O)C2)CC1 ZINC000376673233 277036765 /nfs/dbraw/zinc/03/67/65/277036765.db2.gz QPIQQVRZFWTHQV-UHFFFAOYSA-N 2 1 325.456 3.248 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1)C1CC1 ZINC000122701441 279234716 /nfs/dbraw/zinc/23/47/16/279234716.db2.gz ACNZFMKVMFGCAW-UZLBHIALSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1)C1CC1 ZINC000122701441 279234717 /nfs/dbraw/zinc/23/47/17/279234717.db2.gz ACNZFMKVMFGCAW-UZLBHIALSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1)C1CC1 ZINC000122701441 279234718 /nfs/dbraw/zinc/23/47/18/279234718.db2.gz ACNZFMKVMFGCAW-UZLBHIALSA-N 2 1 343.515 3.226 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH+](CC)C[C@@H]2C)cc1)C(C)C ZINC000345915436 279235318 /nfs/dbraw/zinc/23/53/18/279235318.db2.gz YMXNRKRAUDGXPE-MSOLQXFVSA-N 2 1 345.531 3.472 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)cc1)C(C)C ZINC000345915436 279235319 /nfs/dbraw/zinc/23/53/19/279235319.db2.gz YMXNRKRAUDGXPE-MSOLQXFVSA-N 2 1 345.531 3.472 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)cc1)C(C)C ZINC000345915436 279235321 /nfs/dbraw/zinc/23/53/21/279235321.db2.gz YMXNRKRAUDGXPE-MSOLQXFVSA-N 2 1 345.531 3.472 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000347810602 280174281 /nfs/dbraw/zinc/17/42/81/280174281.db2.gz BARDOJIFTIZVAO-AZUAARDMSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000261694389 289162817 /nfs/dbraw/zinc/16/28/17/289162817.db2.gz HSDBDYFAYNJINC-NRFANRHFSA-N 2 1 338.499 3.396 20 0 EGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000261694389 289162819 /nfs/dbraw/zinc/16/28/19/289162819.db2.gz HSDBDYFAYNJINC-NRFANRHFSA-N 2 1 338.499 3.396 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C[C@H]1c1ccccc1 ZINC000340318734 290225287 /nfs/dbraw/zinc/22/52/87/290225287.db2.gz XDVHEPGOIUHTOZ-FSGKZVOOSA-N 2 1 326.484 3.369 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C[C@H]1c1ccccc1 ZINC000340318734 290225290 /nfs/dbraw/zinc/22/52/90/290225290.db2.gz XDVHEPGOIUHTOZ-FSGKZVOOSA-N 2 1 326.484 3.369 20 0 EGADMP COc1ccc(CC[N@@H+](CC(C)C)C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000346974176 295119345 /nfs/dbraw/zinc/11/93/45/295119345.db2.gz IOQHOLONVMKFOL-GOSISDBHSA-N 2 1 334.504 3.204 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccccc1Cl ZINC000060161693 307350483 /nfs/dbraw/zinc/35/04/83/307350483.db2.gz JLGYCZYSWFODKO-QGZVFWFLSA-N 2 1 339.911 3.179 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000063582700 307355183 /nfs/dbraw/zinc/35/51/83/307355183.db2.gz SNRPUYAEAOCDEC-UHFFFAOYSA-N 2 1 345.531 3.408 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000063582700 307355185 /nfs/dbraw/zinc/35/51/85/307355185.db2.gz SNRPUYAEAOCDEC-UHFFFAOYSA-N 2 1 345.531 3.408 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000063582700 307355187 /nfs/dbraw/zinc/35/51/87/307355187.db2.gz SNRPUYAEAOCDEC-UHFFFAOYSA-N 2 1 345.531 3.408 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2C(F)(F)F)C1 ZINC000072858890 307382979 /nfs/dbraw/zinc/38/29/79/307382979.db2.gz MFRNYAXUAPAXCU-AWEZNQCLSA-N 2 1 330.394 3.358 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2C(F)(F)F)C1 ZINC000072858890 307382980 /nfs/dbraw/zinc/38/29/80/307382980.db2.gz MFRNYAXUAPAXCU-AWEZNQCLSA-N 2 1 330.394 3.358 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000072858890 307382981 /nfs/dbraw/zinc/38/29/81/307382981.db2.gz MFRNYAXUAPAXCU-AWEZNQCLSA-N 2 1 330.394 3.358 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000072858890 307382982 /nfs/dbraw/zinc/38/29/82/307382982.db2.gz MFRNYAXUAPAXCU-AWEZNQCLSA-N 2 1 330.394 3.358 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCOC[C@@H]2CCCO2)cc1 ZINC000121106787 307515281 /nfs/dbraw/zinc/51/52/81/307515281.db2.gz IJVUNWYWEVJPMO-BEFAXECRSA-N 2 1 329.444 3.027 20 0 EGADMP COC(=O)c1cnc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)s1 ZINC000414073334 309059267 /nfs/dbraw/zinc/05/92/67/309059267.db2.gz NGGWJVOUSXFFIG-UONOGXRCSA-N 2 1 339.505 3.092 20 0 EGADMP COC(=O)c1cnc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)s1 ZINC000414073334 309059268 /nfs/dbraw/zinc/05/92/68/309059268.db2.gz NGGWJVOUSXFFIG-UONOGXRCSA-N 2 1 339.505 3.092 20 0 EGADMP CC1CC[NH+](Cc2ccc(NCc3c[nH+]c(N(C)C)n3C)cc2)CC1 ZINC000414284728 309070542 /nfs/dbraw/zinc/07/05/42/309070542.db2.gz AATVFSTUIIUBAB-UHFFFAOYSA-N 2 1 341.503 3.330 20 0 EGADMP CCc1ncc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000414378215 309076487 /nfs/dbraw/zinc/07/64/87/309076487.db2.gz COTFLSXWDDMZFA-UHFFFAOYSA-N 2 1 338.499 3.383 20 0 EGADMP CCc1ncc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000414383132 309076783 /nfs/dbraw/zinc/07/67/83/309076783.db2.gz SRKPLZASVORMEX-IRXDYDNUSA-N 2 1 338.499 3.285 20 0 EGADMP CCCOc1ccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248199421 308000394 /nfs/dbraw/zinc/00/03/94/308000394.db2.gz YDBAQBMSQNDNBK-FXAWDEMLSA-N 2 1 332.488 3.270 20 0 EGADMP CCCOc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248199421 308000395 /nfs/dbraw/zinc/00/03/95/308000395.db2.gz YDBAQBMSQNDNBK-FXAWDEMLSA-N 2 1 332.488 3.270 20 0 EGADMP CCCOc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248199421 308000397 /nfs/dbraw/zinc/00/03/97/308000397.db2.gz YDBAQBMSQNDNBK-FXAWDEMLSA-N 2 1 332.488 3.270 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248564195 308005923 /nfs/dbraw/zinc/00/59/23/308005923.db2.gz KIHHRYGCOMLWJQ-LYYGHALDSA-N 2 1 349.563 3.170 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248564195 308005924 /nfs/dbraw/zinc/00/59/24/308005924.db2.gz KIHHRYGCOMLWJQ-LYYGHALDSA-N 2 1 349.563 3.170 20 0 EGADMP COc1cccc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000249388325 308023215 /nfs/dbraw/zinc/02/32/15/308023215.db2.gz RMFMDJJJBLQPRU-LFUKPOHLSA-N 2 1 339.483 3.336 20 0 EGADMP COc1cccc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000249388325 308023217 /nfs/dbraw/zinc/02/32/17/308023217.db2.gz RMFMDJJJBLQPRU-LFUKPOHLSA-N 2 1 339.483 3.336 20 0 EGADMP C[C@@H](CCNCc1cnn(CC(F)F)c1)[N@@H+](C)Cc1ccccc1 ZINC000292967086 308084921 /nfs/dbraw/zinc/08/49/21/308084921.db2.gz KVSXJLJKCKGZDI-HNNXBMFYSA-N 2 1 336.430 3.148 20 0 EGADMP C[C@@H](CC[NH2+]Cc1cnn(CC(F)F)c1)[N@H+](C)Cc1ccccc1 ZINC000292967086 308084922 /nfs/dbraw/zinc/08/49/22/308084922.db2.gz KVSXJLJKCKGZDI-HNNXBMFYSA-N 2 1 336.430 3.148 20 0 EGADMP C[C@@H](CC[NH2+]Cc1cnn(CC(F)F)c1)[N@@H+](C)Cc1ccccc1 ZINC000292967086 308084923 /nfs/dbraw/zinc/08/49/23/308084923.db2.gz KVSXJLJKCKGZDI-HNNXBMFYSA-N 2 1 336.430 3.148 20 0 EGADMP Cc1c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cnn1C ZINC000293149378 308104035 /nfs/dbraw/zinc/10/40/35/308104035.db2.gz BNUMKADPMJYSAH-UHFFFAOYSA-N 2 1 338.499 3.217 20 0 EGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC000293613955 308146532 /nfs/dbraw/zinc/14/65/32/308146532.db2.gz KEKWDUXPVNXYHY-LJQANCHMSA-N 2 1 328.435 3.134 20 0 EGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC000293613955 308146534 /nfs/dbraw/zinc/14/65/34/308146534.db2.gz KEKWDUXPVNXYHY-LJQANCHMSA-N 2 1 328.435 3.134 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC000293613955 308146536 /nfs/dbraw/zinc/14/65/36/308146536.db2.gz KEKWDUXPVNXYHY-LJQANCHMSA-N 2 1 328.435 3.134 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC000293613955 308146538 /nfs/dbraw/zinc/14/65/38/308146538.db2.gz KEKWDUXPVNXYHY-LJQANCHMSA-N 2 1 328.435 3.134 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000293753364 308158629 /nfs/dbraw/zinc/15/86/29/308158629.db2.gz OHEJTRZINSCFFJ-HNNXBMFYSA-N 2 1 343.471 3.311 20 0 EGADMP COCC[N@@H+](C)CCCN[C@H]1CCc2sc(Br)cc21 ZINC000293807501 308163642 /nfs/dbraw/zinc/16/36/42/308163642.db2.gz RLGYUBVXBKYCEZ-LBPRGKRZSA-N 2 1 347.322 3.056 20 0 EGADMP COCC[N@H+](C)CCC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000293807501 308163643 /nfs/dbraw/zinc/16/36/43/308163643.db2.gz RLGYUBVXBKYCEZ-LBPRGKRZSA-N 2 1 347.322 3.056 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000293820220 308165296 /nfs/dbraw/zinc/16/52/96/308165296.db2.gz BHKZBQIRGJBARG-NRFANRHFSA-N 2 1 343.515 3.086 20 0 EGADMP CCOC(=O)c1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)[nH]c1C ZINC000294918857 308271517 /nfs/dbraw/zinc/27/15/17/308271517.db2.gz AQDPBEPSTRIPLP-UHFFFAOYSA-N 2 1 347.503 3.387 20 0 EGADMP CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(C)C ZINC000294920719 308271611 /nfs/dbraw/zinc/27/16/11/308271611.db2.gz AUDADVGYYSMRMJ-KXBFYZLASA-N 2 1 342.487 3.334 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000294974632 308277876 /nfs/dbraw/zinc/27/78/76/308277876.db2.gz KDMMLIJVBJXIJU-IBGZPJMESA-N 2 1 335.561 3.475 20 0 EGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000295037512 308284049 /nfs/dbraw/zinc/28/40/49/308284049.db2.gz DPPHMSCECDNJPQ-IBGZPJMESA-N 2 1 330.520 3.151 20 0 EGADMP COC(=O)c1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000295291042 308311557 /nfs/dbraw/zinc/31/15/57/308311557.db2.gz LJTMLQNRROYOPF-YIONKMFJSA-N 2 1 336.863 3.184 20 0 EGADMP COC(=O)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1Cl ZINC000295291042 308311559 /nfs/dbraw/zinc/31/15/59/308311559.db2.gz LJTMLQNRROYOPF-YIONKMFJSA-N 2 1 336.863 3.184 20 0 EGADMP COC(=O)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1Cl ZINC000295291042 308311561 /nfs/dbraw/zinc/31/15/61/308311561.db2.gz LJTMLQNRROYOPF-YIONKMFJSA-N 2 1 336.863 3.184 20 0 EGADMP COC(=O)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000295291042 308311563 /nfs/dbraw/zinc/31/15/63/308311563.db2.gz LJTMLQNRROYOPF-YIONKMFJSA-N 2 1 336.863 3.184 20 0 EGADMP COC(=O)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000295291042 308311564 /nfs/dbraw/zinc/31/15/64/308311564.db2.gz LJTMLQNRROYOPF-YIONKMFJSA-N 2 1 336.863 3.184 20 0 EGADMP COCC[N@H+](Cc1ccc(F)cc1Cl)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414701225 309096201 /nfs/dbraw/zinc/09/62/01/309096201.db2.gz UKTOLGMJPGFJMO-ZIAGYGMSSA-N 2 1 328.859 3.316 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](CC(C)C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414695725 309095786 /nfs/dbraw/zinc/09/57/86/309095786.db2.gz OPSGYTJEIFDPBR-ICSRJNTNSA-N 2 1 345.531 3.293 20 0 EGADMP C[C@H]1C[C@@H](C[N@@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000414757598 309099042 /nfs/dbraw/zinc/09/90/42/309099042.db2.gz SUYIVOBMJWXALV-RDJZCZTQSA-N 2 1 346.906 3.464 20 0 EGADMP Fc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000414773753 309100096 /nfs/dbraw/zinc/10/00/96/309100096.db2.gz DZQPTYDSEBWLJE-CHWSQXEVSA-N 2 1 341.268 3.410 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000414778856 309100468 /nfs/dbraw/zinc/10/04/68/309100468.db2.gz QPLMXZPFJKEURF-CJNGLKHVSA-N 2 1 347.261 3.461 20 0 EGADMP Clc1ccc(-n2cc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000414782703 309100790 /nfs/dbraw/zinc/10/07/90/309100790.db2.gz OREAKVMSTAWSCH-IRXDYDNUSA-N 2 1 344.890 3.347 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414787679 309101146 /nfs/dbraw/zinc/10/11/46/309101146.db2.gz VTSMUDLMENTIAT-DLBZAZTESA-N 2 1 342.462 3.141 20 0 EGADMP FC(F)(F)COc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789183 309101461 /nfs/dbraw/zinc/10/14/61/309101461.db2.gz XVCKBNVHRQVUTL-HUUCEWRRSA-N 2 1 342.405 3.449 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414830779 309104232 /nfs/dbraw/zinc/10/42/32/309104232.db2.gz BNYJYHHTORRWBM-UKRRQHHQSA-N 2 1 325.884 3.329 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414841724 309104971 /nfs/dbraw/zinc/10/49/71/309104971.db2.gz LRNYNZUXJZBYRH-UHFFFAOYSA-N 2 1 330.451 3.379 20 0 EGADMP CC(C)(C)c1nc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cs1 ZINC000333180001 308852205 /nfs/dbraw/zinc/85/22/05/308852205.db2.gz RSHPTKOLSPWPCT-HZPDHXFCSA-N 2 1 337.533 3.159 20 0 EGADMP C[C@H](C[NH3+])C[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000414886428 309107273 /nfs/dbraw/zinc/10/72/73/309107273.db2.gz YDBLLOJXGWSTBY-SNVBAGLBSA-N 2 1 340.290 3.257 20 0 EGADMP [NH3+][C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1)C1CC1 ZINC000414895030 309107937 /nfs/dbraw/zinc/10/79/37/309107937.db2.gz VGYNBONZBTXHLY-KRWDZBQOSA-N 2 1 338.480 3.428 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414936540 309110100 /nfs/dbraw/zinc/11/01/00/309110100.db2.gz WRJHRCCUCVUONM-MAUKXSAKSA-N 2 1 331.504 3.334 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CC[NH2+]1 ZINC000414944598 309110593 /nfs/dbraw/zinc/11/05/93/309110593.db2.gz HCPDMSLQISOYIE-BXKDBHETSA-N 2 1 349.219 3.281 20 0 EGADMP CSc1cc(Br)ccc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414947981 309110671 /nfs/dbraw/zinc/11/06/71/309110671.db2.gz LPPSTWBMPXYGME-GXFFZTMASA-N 2 1 329.307 3.401 20 0 EGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414968450 309112101 /nfs/dbraw/zinc/11/21/01/309112101.db2.gz IDDSANYELVYSJN-CQSZACIVSA-N 2 1 334.357 3.245 20 0 EGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000414996603 309113372 /nfs/dbraw/zinc/11/33/72/309113372.db2.gz GNIMSBDRUZTZQT-KPACCLEDSA-N 3 1 345.506 3.029 20 0 EGADMP COc1ccc(C[C@@H](C)C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1F ZINC000415035110 309115556 /nfs/dbraw/zinc/11/55/56/309115556.db2.gz DGWJFMACCGIEEP-MOXGXCLJSA-N 2 1 342.458 3.358 20 0 EGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415052548 309116756 /nfs/dbraw/zinc/11/67/56/309116756.db2.gz ILLSTUNUIAQKEC-OXQOHEQNSA-N 2 1 326.488 3.412 20 0 EGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000415055633 309116910 /nfs/dbraw/zinc/11/69/10/309116910.db2.gz ONEFABXHVDNQJN-AWEZNQCLSA-N 2 1 336.277 3.460 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@H](CC[NH3+])C(F)(F)F ZINC000415061006 309117592 /nfs/dbraw/zinc/11/75/92/309117592.db2.gz VJIQFAYXQHEKEJ-OAHLLOKOSA-N 2 1 331.426 3.014 20 0 EGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)C1CCCC1 ZINC000415070351 309118218 /nfs/dbraw/zinc/11/82/18/309118218.db2.gz USDGFABFGKEALQ-HXUWFJFHSA-N 2 1 325.456 3.268 20 0 EGADMP c1nn(-c2ccccc2)cc1CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415082916 309119054 /nfs/dbraw/zinc/11/90/54/309119054.db2.gz MQPYPTACVGQGDW-RBBKRZOGSA-N 2 1 346.478 3.498 20 0 EGADMP FC(F)(F)c1cccc(C2(C[NH2+][C@@H]3CCC[NH2+]C3)CCOCC2)c1 ZINC000415094165 309119853 /nfs/dbraw/zinc/11/98/53/309119853.db2.gz WXDDALWCXWDUOT-MRXNPFEDSA-N 2 1 342.405 3.095 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C[C@@H]1C[NH3+] ZINC000415119261 309121516 /nfs/dbraw/zinc/12/15/16/309121516.db2.gz FETAXTNQJKIFLI-AEFFLSMTSA-N 2 1 325.456 3.077 20 0 EGADMP Cc1ccc(F)c(CNCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000415134137 309122833 /nfs/dbraw/zinc/12/28/33/309122833.db2.gz NWBRNTWSJASJLL-UHFFFAOYSA-N 2 1 341.474 3.217 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@H]1C[NH3+] ZINC000415138285 309123252 /nfs/dbraw/zinc/12/32/52/309123252.db2.gz YUXZPYKIYJAYON-QFBILLFUSA-N 2 1 325.456 3.077 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000415939711 309150136 /nfs/dbraw/zinc/15/01/36/309150136.db2.gz ZJCHVLYQQWERMZ-CVEARBPZSA-N 2 1 332.492 3.038 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415982701 309152841 /nfs/dbraw/zinc/15/28/41/309152841.db2.gz XQXCROINRFFZBO-KXBFYZLASA-N 2 1 338.455 3.102 20 0 EGADMP C[C@H]1CN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC000416239254 309165210 /nfs/dbraw/zinc/16/52/10/309165210.db2.gz KJPQXJVZXHXISU-YLJYHZDGSA-N 2 1 343.515 3.012 20 0 EGADMP CCn1cncc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000417940615 309229060 /nfs/dbraw/zinc/22/90/60/309229060.db2.gz LXXPOCHYJDJSJQ-IAGOWNOFSA-N 2 1 326.488 3.149 20 0 EGADMP CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H](C)c1ccc(F)cc1 ZINC000420296372 309279839 /nfs/dbraw/zinc/27/98/39/309279839.db2.gz BQEULOCMLHOYPF-YSSFQJQWSA-N 2 1 330.447 3.140 20 0 EGADMP C[N@H+](Cc1cccc2ccccc21)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420296430 309280043 /nfs/dbraw/zinc/28/00/43/309280043.db2.gz BYGMTBHKVZXVMZ-VXKWHMMOSA-N 2 1 334.463 3.203 20 0 EGADMP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@@H]1CCC[NH2+]C1 ZINC000420299113 309280220 /nfs/dbraw/zinc/28/02/20/309280220.db2.gz GIAZJUIEDGDQCK-INIZCTEOSA-N 2 1 344.478 3.470 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420304308 309280350 /nfs/dbraw/zinc/28/03/50/309280350.db2.gz IOEJVPXNYBHJDQ-HIFRSBDPSA-N 2 1 330.863 3.275 20 0 EGADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000420306858 309280690 /nfs/dbraw/zinc/28/06/90/309280690.db2.gz BCIXKCRSFMLIFW-RDTXWAMCSA-N 2 1 330.863 3.151 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000420310020 309280916 /nfs/dbraw/zinc/28/09/16/309280916.db2.gz USIARKKIPSAWLZ-MOPGFXCFSA-N 2 1 340.467 3.236 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)cc1 ZINC000420313293 309281189 /nfs/dbraw/zinc/28/11/89/309281189.db2.gz XXAMRKVCDCWZQZ-OZOXKJRCSA-N 2 1 340.467 3.200 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)cc1 ZINC000420313293 309281190 /nfs/dbraw/zinc/28/11/90/309281190.db2.gz XXAMRKVCDCWZQZ-OZOXKJRCSA-N 2 1 340.467 3.200 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000420312389 309281333 /nfs/dbraw/zinc/28/13/33/309281333.db2.gz WWWXTVFDEIKANE-FKBYEOEOSA-N 2 1 338.495 3.187 20 0 EGADMP COc1ccc(C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000420315431 309281390 /nfs/dbraw/zinc/28/13/90/309281390.db2.gz LUAHAWZKPITURU-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420316823 309281658 /nfs/dbraw/zinc/28/16/58/309281658.db2.gz YNXSJTSWIBBWOQ-JGGQBBKZSA-N 2 1 344.480 3.247 20 0 EGADMP COc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000420320298 309282185 /nfs/dbraw/zinc/28/21/85/309282185.db2.gz BDDNEHGBNOVWAN-IAGOWNOFSA-N 2 1 341.455 3.172 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420324319 309282293 /nfs/dbraw/zinc/28/22/93/309282293.db2.gz VHOOYPXCTOSNET-LJQANCHMSA-N 3 1 329.532 3.220 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340653 309283168 /nfs/dbraw/zinc/28/31/68/309283168.db2.gz NBKQFLYEIDBEJU-IRXDYDNUSA-N 2 1 329.488 3.070 20 0 EGADMP CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420342586 309283367 /nfs/dbraw/zinc/28/33/67/309283367.db2.gz PRPJYAWKNQZRTI-GOSISDBHSA-N 2 1 343.515 3.387 20 0 EGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(F)cc1Br ZINC000420382849 309285433 /nfs/dbraw/zinc/28/54/33/309285433.db2.gz YUOGSSIAPHXSKH-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000420381804 309285555 /nfs/dbraw/zinc/28/55/55/309285555.db2.gz PCXLORXNUZQWAQ-DLBZAZTESA-N 2 1 347.484 3.121 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420400159 309286447 /nfs/dbraw/zinc/28/64/47/309286447.db2.gz IJKQCZWHCWLCPZ-CHWSQXEVSA-N 2 1 332.469 3.105 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420400159 309286448 /nfs/dbraw/zinc/28/64/48/309286448.db2.gz IJKQCZWHCWLCPZ-CHWSQXEVSA-N 2 1 332.469 3.105 20 0 EGADMP COCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)C ZINC000420959494 309304375 /nfs/dbraw/zinc/30/43/75/309304375.db2.gz GJPFZBUVWNGXCB-LJQANCHMSA-N 2 1 334.504 3.060 20 0 EGADMP CSC[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420971859 309305006 /nfs/dbraw/zinc/30/50/06/309305006.db2.gz LCCMZIXCXNDXPM-LJQANCHMSA-N 2 1 334.529 3.094 20 0 EGADMP CSC[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420971859 309305007 /nfs/dbraw/zinc/30/50/07/309305007.db2.gz LCCMZIXCXNDXPM-LJQANCHMSA-N 2 1 334.529 3.094 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCCOC(C)(C)C)CC2)CC1 ZINC000420976247 309305237 /nfs/dbraw/zinc/30/52/37/309305237.db2.gz GOMMFPXXVZPPAZ-UHFFFAOYSA-N 2 1 339.568 3.074 20 0 EGADMP CCc1ccc(CC[N@@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000420975420 309305331 /nfs/dbraw/zinc/30/53/31/309305331.db2.gz FXZNLBFAANWEGE-UHFFFAOYSA-N 2 1 343.559 3.284 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C[C@@H]1C[NH3+] ZINC000422563679 309361855 /nfs/dbraw/zinc/36/18/55/309361855.db2.gz UGVSVCPYCBWWJA-JMVFIXPQSA-N 2 1 332.488 3.050 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C[C@H]1C[NH3+] ZINC000422635512 309363184 /nfs/dbraw/zinc/36/31/84/309363184.db2.gz LMBAJJJQPPXSBZ-BRWVUGGUSA-N 2 1 338.499 3.166 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C[C@H]1C[NH3+] ZINC000422635512 309363185 /nfs/dbraw/zinc/36/31/85/309363185.db2.gz LMBAJJJQPPXSBZ-BRWVUGGUSA-N 2 1 338.499 3.166 20 0 EGADMP C[C@@H]1C[C@H](C)[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@@H]1C[NH3+] ZINC000422635651 309363194 /nfs/dbraw/zinc/36/31/94/309363194.db2.gz LUPCROPSJJCFTP-DYEKYZERSA-N 2 1 335.398 3.425 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@@H]1C[NH3+] ZINC000422635651 309363195 /nfs/dbraw/zinc/36/31/95/309363195.db2.gz LUPCROPSJJCFTP-DYEKYZERSA-N 2 1 335.398 3.425 20 0 EGADMP c1cn(-c2cccc(C[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)c2)cn1 ZINC000422739866 309366111 /nfs/dbraw/zinc/36/61/11/309366111.db2.gz ANZSIJGOJAEKNB-CTNGQTDRSA-N 2 1 332.451 3.455 20 0 EGADMP C[C@H]([NH2+]CCCc1ccc(Br)cc1F)[C@H]1CCC[NH2+]1 ZINC000422750849 309366480 /nfs/dbraw/zinc/36/64/80/309366480.db2.gz ALUNBEMJASORGJ-XHDPSFHLSA-N 2 1 329.257 3.251 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422746451 309366314 /nfs/dbraw/zinc/36/63/14/309366314.db2.gz WNUOKSYBEKGBQV-HNNXBMFYSA-N 3 1 326.488 3.151 20 0 EGADMP COc1cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])ccc1OCc1ccccc1 ZINC000422772774 309367612 /nfs/dbraw/zinc/36/76/12/309367612.db2.gz SWBKNXYHKNLFNF-ROUUACIJSA-N 2 1 326.440 3.244 20 0 EGADMP c1ccc([C@@H]2C[C@H](N[C@@H]3CC[N@H+](CC4CCCC4)C3)CC[NH2+]2)cc1 ZINC000422799730 309369114 /nfs/dbraw/zinc/36/91/14/309369114.db2.gz YETYHCBNHROVPZ-NJYVYQBISA-N 2 1 327.516 3.334 20 0 EGADMP CC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422812276 309369695 /nfs/dbraw/zinc/36/96/95/309369695.db2.gz WCZHHEPLUQTJOU-CIAFKFPVSA-N 2 1 341.543 3.334 20 0 EGADMP CC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422812276 309369696 /nfs/dbraw/zinc/36/96/96/309369696.db2.gz WCZHHEPLUQTJOU-CIAFKFPVSA-N 2 1 341.543 3.334 20 0 EGADMP C[NH+](C)CCOc1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422822443 309370375 /nfs/dbraw/zinc/37/03/75/309370375.db2.gz KAEPVHPXYZVZOO-XUVXKRRUSA-N 2 1 345.531 3.027 20 0 EGADMP C[C@H](CCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422829019 309370800 /nfs/dbraw/zinc/37/08/00/309370800.db2.gz UHUMJMXSGQEBKU-DXIQSLLYSA-N 2 1 339.527 3.445 20 0 EGADMP COc1ccc([C@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422857034 309372179 /nfs/dbraw/zinc/37/21/79/309372179.db2.gz GMLWCMVAZGYVGU-UIFIKXQLSA-N 2 1 343.515 3.095 20 0 EGADMP COc1ccc([C@H](N[C@H]2CC[N@H+](C3CCCC3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422857036 309372248 /nfs/dbraw/zinc/37/22/48/309372248.db2.gz GMLWCMVAZGYVGU-YYWHXJBOSA-N 2 1 343.515 3.095 20 0 EGADMP CCOCCOCc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422859364 309372369 /nfs/dbraw/zinc/37/23/69/309372369.db2.gz JVQGFFLSKXWVCB-RTWAWAEBSA-N 2 1 340.467 3.474 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422886915 309374361 /nfs/dbraw/zinc/37/43/61/309374361.db2.gz AACBHWKTCHKDKE-MJGOQNOKSA-N 2 1 333.520 3.014 20 0 EGADMP N[C@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422913301 309375893 /nfs/dbraw/zinc/37/58/93/309375893.db2.gz YDUCFVBRERHJIO-SFTDATJTSA-N 2 1 329.532 3.191 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)c(Br)c1)[C@H]1CCC[NH2+]1 ZINC000422945105 309377446 /nfs/dbraw/zinc/37/74/46/309377446.db2.gz UATYEADPZSEKNW-FIXISWKDSA-N 2 1 329.257 3.249 20 0 EGADMP COc1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)O[C@@H](C)C2 ZINC000422968227 309378657 /nfs/dbraw/zinc/37/86/57/309378657.db2.gz QSUBEUPCQLFNPQ-KLIQENQMSA-N 2 1 344.499 3.419 20 0 EGADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422965428 309378668 /nfs/dbraw/zinc/37/86/68/309378668.db2.gz OOKBKMNWNNSJIT-XLIONFOSSA-N 2 1 326.488 3.234 20 0 EGADMP c1cnc(OC2CCCC2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422969197 309379002 /nfs/dbraw/zinc/37/90/02/309379002.db2.gz ZBWWOGVVJMIIPK-CEXWTWQISA-N 2 1 329.488 3.413 20 0 EGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000422982152 309379491 /nfs/dbraw/zinc/37/94/91/309379491.db2.gz VSEPITJLUPZZEJ-WMZOPIPTSA-N 2 1 347.503 3.040 20 0 EGADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000422990118 309379850 /nfs/dbraw/zinc/37/98/50/309379850.db2.gz BQCYPPOWHLUXNS-LAUBAEHRSA-N 3 1 341.499 3.389 20 0 EGADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1CN(C)Cc1ccco1 ZINC000422990118 309379851 /nfs/dbraw/zinc/37/98/51/309379851.db2.gz BQCYPPOWHLUXNS-LAUBAEHRSA-N 2 1 341.499 3.389 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000422990119 309379867 /nfs/dbraw/zinc/37/98/67/309379867.db2.gz BQCYPPOWHLUXNS-UTKZUKDTSA-N 3 1 341.499 3.389 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1CN(C)Cc1ccco1 ZINC000422990119 309379868 /nfs/dbraw/zinc/37/98/68/309379868.db2.gz BQCYPPOWHLUXNS-UTKZUKDTSA-N 2 1 341.499 3.389 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423003006 309380383 /nfs/dbraw/zinc/38/03/83/309380383.db2.gz KNKORODQQWWIMV-JYAXBFRTSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCCCN1 ZINC000423003006 309380384 /nfs/dbraw/zinc/38/03/84/309380384.db2.gz KNKORODQQWWIMV-JYAXBFRTSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCN1 ZINC000423003006 309380385 /nfs/dbraw/zinc/38/03/85/309380385.db2.gz KNKORODQQWWIMV-JYAXBFRTSA-N 2 1 329.532 3.407 20 0 EGADMP COC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(C)o1 ZINC000423006103 309380648 /nfs/dbraw/zinc/38/06/48/309380648.db2.gz OALOWTATWOKLQT-ZWOKBUDYSA-N 2 1 342.439 3.121 20 0 EGADMP C[C@H](NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022487 309381630 /nfs/dbraw/zinc/38/16/30/309381630.db2.gz HTBKJNOQPHJDDH-YENGBRFLSA-N 2 1 339.886 3.202 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022487 309381632 /nfs/dbraw/zinc/38/16/32/309381632.db2.gz HTBKJNOQPHJDDH-YENGBRFLSA-N 2 1 339.886 3.202 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000423036574 309382256 /nfs/dbraw/zinc/38/22/56/309382256.db2.gz APXSXJWUZAIWND-HWWQOWPSSA-N 2 1 328.287 3.302 20 0 EGADMP Cn1c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc2cccc(Cl)c21 ZINC000423053972 309383435 /nfs/dbraw/zinc/38/34/35/309383435.db2.gz SRTSKHPABBPLBI-VHDGCEQUSA-N 2 1 332.879 3.237 20 0 EGADMP C[C@](CO)(C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000423068070 309384080 /nfs/dbraw/zinc/38/40/80/309384080.db2.gz ATRVAOCMIOHCEZ-BHDDXSALSA-N 2 1 338.495 3.311 20 0 EGADMP FC(F)(F)COc1cnccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423096133 309385825 /nfs/dbraw/zinc/38/58/25/309385825.db2.gz GXNMQDBFMZVCPL-QLFBSQMISA-N 2 1 343.393 3.033 20 0 EGADMP c1csc(N2CCC([NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)n1 ZINC000423109255 309386241 /nfs/dbraw/zinc/38/62/41/309386241.db2.gz UREQKPYPZXRUBH-ZWKOTPCHSA-N 2 1 342.512 3.195 20 0 EGADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423114797 309386660 /nfs/dbraw/zinc/38/66/60/309386660.db2.gz WMCRPHCLCZBJJV-DGCLKSJQSA-N 2 1 332.366 3.072 20 0 EGADMP Fc1cc(F)c2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)CCC2 ZINC000423146185 309388331 /nfs/dbraw/zinc/38/83/31/309388331.db2.gz OLGLOZSMMBWWLV-JEDBISTDSA-N 2 1 336.426 3.089 20 0 EGADMP OCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000423160388 309388791 /nfs/dbraw/zinc/38/87/91/309388791.db2.gz QWAUUQFTBXAYDU-QXULXFAOSA-N 2 1 328.378 3.002 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423202325 309390373 /nfs/dbraw/zinc/39/03/73/309390373.db2.gz AQZGSJIQLICYIB-MLNNCEHLSA-N 2 1 341.543 3.266 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NC[C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423202325 309390374 /nfs/dbraw/zinc/39/03/74/309390374.db2.gz AQZGSJIQLICYIB-MLNNCEHLSA-N 2 1 341.543 3.266 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NC[C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423202325 309390375 /nfs/dbraw/zinc/39/03/75/309390375.db2.gz AQZGSJIQLICYIB-MLNNCEHLSA-N 2 1 341.543 3.266 20 0 EGADMP C[C@H](N[C@@H](C[NH3+])C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423272179 309393342 /nfs/dbraw/zinc/39/33/42/309393342.db2.gz YWXIAZWEYBDXFR-JXFKEZNVSA-N 2 1 333.520 3.185 20 0 EGADMP [NH3+][C@H](C[NH2+][C@@H]1CCSc2ccc(Br)cc21)C1CC1 ZINC000423323285 309395098 /nfs/dbraw/zinc/39/50/98/309395098.db2.gz OVJCRATXSZNSKR-CHWSQXEVSA-N 2 1 327.291 3.313 20 0 EGADMP C[N@@H+](CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000423337268 309395884 /nfs/dbraw/zinc/39/58/84/309395884.db2.gz UCCJSLCXDIJDFJ-SFHVURJKSA-N 2 1 331.504 3.093 20 0 EGADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423341923 309396215 /nfs/dbraw/zinc/39/62/15/309396215.db2.gz YFCQTDZBEDUVSZ-GOEBONIOSA-N 2 1 336.451 3.306 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3cc(Br)ccc32)CC[NH2+]1 ZINC000423398749 309398598 /nfs/dbraw/zinc/39/85/98/309398598.db2.gz VKKFVGWFWVEMGR-ZLDLUXBVSA-N 2 1 339.277 3.393 20 0 EGADMP CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+][C@@H](C)C[NH3+])nc1 ZINC000423407966 309398901 /nfs/dbraw/zinc/39/89/01/309398901.db2.gz WSRINPDFDBMTMN-LIRRHRJNSA-N 2 1 331.891 3.388 20 0 EGADMP C[N@H+]1CC[C@H](NC[C@@H]2[NH2+]CCc3ccccc32)C[C@H]1c1ccccc1 ZINC000423426688 309399920 /nfs/dbraw/zinc/39/99/20/309399920.db2.gz NIHQGQRRAJCNCX-BVSLBCMMSA-N 2 1 335.495 3.299 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000433292121 309684897 /nfs/dbraw/zinc/68/48/97/309684897.db2.gz YSPJUISFAXAWCB-IBGZPJMESA-N 2 1 327.472 3.465 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000439073356 309825679 /nfs/dbraw/zinc/82/56/79/309825679.db2.gz BZZPTFVFLLNJOH-HNNXBMFYSA-N 2 1 333.476 3.180 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)CC1 ZINC000441079040 309861788 /nfs/dbraw/zinc/86/17/88/309861788.db2.gz KADAIDRCFJBVPQ-NRFANRHFSA-N 2 1 345.506 3.303 20 0 EGADMP C[C@@H]1CSC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449105917 310037525 /nfs/dbraw/zinc/03/75/25/310037525.db2.gz FUPHJRKNHITGFW-OAFZBRQQSA-N 2 1 334.529 3.137 20 0 EGADMP COCC1CCC([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)CC1 ZINC000449157238 310040888 /nfs/dbraw/zinc/04/08/88/310040888.db2.gz UYQWEAFQZMEZFU-UHFFFAOYSA-N 2 1 338.536 3.205 20 0 EGADMP CC1(C)CC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC(C)(C)[NH2+]1 ZINC000449187914 310043112 /nfs/dbraw/zinc/04/31/12/310043112.db2.gz JRZBMLGFTPODNG-QGZVFWFLSA-N 2 1 335.536 3.209 20 0 EGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2ccnc3ccnn32)CC1 ZINC000449225308 310046045 /nfs/dbraw/zinc/04/60/45/310046045.db2.gz KCEUJZZZCWXUDK-UHFFFAOYSA-N 2 1 343.519 3.498 20 0 EGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OCC(C)C ZINC000449555578 310071603 /nfs/dbraw/zinc/07/16/03/310071603.db2.gz IFZAQIPJRGMEOO-AYHJJNSGSA-N 2 1 332.488 3.445 20 0 EGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OCC(C)C ZINC000449555578 310071604 /nfs/dbraw/zinc/07/16/04/310071604.db2.gz IFZAQIPJRGMEOO-AYHJJNSGSA-N 2 1 332.488 3.445 20 0 EGADMP Cn1cc[nH+]c1CC1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000450372887 310118680 /nfs/dbraw/zinc/11/86/80/310118680.db2.gz ROECVWUGWFVZSA-UHFFFAOYSA-N 2 1 343.446 3.477 20 0 EGADMP CCCc1ccc2[nH+]ccc(N3CCC[N@H+]([C@H](C)CO)CC3)c2c1 ZINC000450478103 310125137 /nfs/dbraw/zinc/12/51/37/310125137.db2.gz ZIKZRMSDLZYPAB-MRXNPFEDSA-N 2 1 327.472 3.080 20 0 EGADMP CC(C)N1CCCC[C@@H]1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450643829 310134710 /nfs/dbraw/zinc/13/47/10/310134710.db2.gz ROJXCUFWQIIYLD-OAQYLSRUSA-N 2 1 344.547 3.493 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450643829 310134711 /nfs/dbraw/zinc/13/47/11/310134711.db2.gz ROJXCUFWQIIYLD-OAQYLSRUSA-N 2 1 344.547 3.493 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450643829 310134712 /nfs/dbraw/zinc/13/47/12/310134712.db2.gz ROJXCUFWQIIYLD-OAQYLSRUSA-N 2 1 344.547 3.493 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453107518 310258389 /nfs/dbraw/zinc/25/83/89/310258389.db2.gz LICKBTKQDCFJDT-BHDDXSALSA-N 3 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453107518 310258390 /nfs/dbraw/zinc/25/83/90/310258390.db2.gz LICKBTKQDCFJDT-BHDDXSALSA-N 2 1 341.543 3.361 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCN(C4CC4)C3)[C@@H]3CCC[C@H]32)cc1 ZINC000453110567 310258807 /nfs/dbraw/zinc/25/88/07/310258807.db2.gz QKBPHSQRUVJJQV-RYFAJOAYSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH+](C4CC4)C3)[C@@H]3CCC[C@H]32)cc1 ZINC000453110567 310258808 /nfs/dbraw/zinc/25/88/08/310258808.db2.gz QKBPHSQRUVJJQV-RYFAJOAYSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH+](C4CC4)C3)[C@@H]3CCC[C@H]32)cc1 ZINC000453110567 310258809 /nfs/dbraw/zinc/25/88/09/310258809.db2.gz QKBPHSQRUVJJQV-RYFAJOAYSA-N 2 1 339.527 3.256 20 0 EGADMP O[C@]1(C[NH2+][C@@H](C2CC2)C2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000453113462 310258829 /nfs/dbraw/zinc/25/88/29/310258829.db2.gz DZXQTXFJRANCJO-RTWAWAEBSA-N 2 1 328.500 3.182 20 0 EGADMP O[C@]1(C[NH2+][C@@H](C2CC2)C2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000453113462 310258830 /nfs/dbraw/zinc/25/88/30/310258830.db2.gz DZXQTXFJRANCJO-RTWAWAEBSA-N 2 1 328.500 3.182 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453183617 310262875 /nfs/dbraw/zinc/26/28/75/310262875.db2.gz UTMXGPKBNVQXHE-VSKRKVRLSA-N 3 1 339.527 3.281 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453183617 310262876 /nfs/dbraw/zinc/26/28/76/310262876.db2.gz UTMXGPKBNVQXHE-VSKRKVRLSA-N 3 1 339.527 3.281 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453183617 310262877 /nfs/dbraw/zinc/26/28/77/310262877.db2.gz UTMXGPKBNVQXHE-VSKRKVRLSA-N 3 1 339.527 3.281 20 0 EGADMP C[N@H+]1CC=C(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453183617 310262878 /nfs/dbraw/zinc/26/28/78/310262878.db2.gz UTMXGPKBNVQXHE-VSKRKVRLSA-N 2 1 339.527 3.281 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453183617 310262879 /nfs/dbraw/zinc/26/28/79/310262879.db2.gz UTMXGPKBNVQXHE-VSKRKVRLSA-N 2 1 339.527 3.281 20 0 EGADMP C[C@@H](c1cccc(OCC[NH+](C)C)c1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000453339495 310271852 /nfs/dbraw/zinc/27/18/52/310271852.db2.gz BVMQTQDWRPILPQ-PXNSSMCTSA-N 2 1 332.488 3.191 20 0 EGADMP CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000453345477 310272168 /nfs/dbraw/zinc/27/21/68/310272168.db2.gz KAQYNRWPGZWFRD-HZPDHXFCSA-N 2 1 330.476 3.255 20 0 EGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)COC1 ZINC000453389741 310274338 /nfs/dbraw/zinc/27/43/38/310274338.db2.gz XOBKCAJVWPBNGF-AQNXPRMDSA-N 2 1 328.500 3.446 20 0 EGADMP C[N@@H+](CCCC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)C1CC1 ZINC000453590064 310283219 /nfs/dbraw/zinc/28/32/19/310283219.db2.gz ABTLFBGQBCDJNE-UHFFFAOYSA-N 2 1 332.879 3.490 20 0 EGADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455947566 310383079 /nfs/dbraw/zinc/38/30/79/310383079.db2.gz XKNWFCWENMOTEV-HNAYVOBHSA-N 2 1 344.503 3.041 20 0 EGADMP C[NH+](C)[C@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccccc1 ZINC000456260340 310395344 /nfs/dbraw/zinc/39/53/44/310395344.db2.gz FMNMJLXPQFOYDN-UXHICEINSA-N 2 1 337.467 3.477 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000459375670 310548099 /nfs/dbraw/zinc/54/80/99/310548099.db2.gz VFKHZEOLWQSZEI-UHFFFAOYSA-N 2 1 334.261 3.394 20 0 EGADMP CCc1nc(C)c(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)o1 ZINC000459479041 310555304 /nfs/dbraw/zinc/55/53/04/310555304.db2.gz JFOSTTWFKPDGIN-UHFFFAOYSA-N 2 1 336.439 3.416 20 0 EGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000488408283 311064180 /nfs/dbraw/zinc/06/41/80/311064180.db2.gz HDVGCVGHEZQBJL-AZUAARDMSA-N 2 1 328.500 3.182 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000488408283 311064182 /nfs/dbraw/zinc/06/41/82/311064182.db2.gz HDVGCVGHEZQBJL-AZUAARDMSA-N 2 1 328.500 3.182 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CS[C@@H](C(C)C)C2)[C@@H](C)C1 ZINC000488449107 311066149 /nfs/dbraw/zinc/06/61/49/311066149.db2.gz MUHFFIGHABVZRT-XLAORIBOSA-N 2 1 328.566 3.243 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000489498280 311108712 /nfs/dbraw/zinc/10/87/12/311108712.db2.gz IXJDQFNTHQIKIE-JTQLQIEISA-N 2 1 326.213 3.444 20 0 EGADMP C[C@H](C[NH+]1CCCCC1)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721539 312100932 /nfs/dbraw/zinc/10/09/32/312100932.db2.gz VHRHHDOEBOPNBT-SVFBPWRDSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](CN1CCCCC1)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508721539 312100933 /nfs/dbraw/zinc/10/09/33/312100933.db2.gz VHRHHDOEBOPNBT-SVFBPWRDSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H](CN1CCCCC1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721539 312100935 /nfs/dbraw/zinc/10/09/35/312100935.db2.gz VHRHHDOEBOPNBT-SVFBPWRDSA-N 3 1 329.532 3.361 20 0 EGADMP c1ccc(N2CC[NH+](CCC[N@@H+]3CCC[C@H]4CCC[C@H]43)CC2)cc1 ZINC000509666320 312122865 /nfs/dbraw/zinc/12/28/65/312122865.db2.gz NVFMHTJGKZIPBX-TZIWHRDSSA-N 2 1 327.516 3.463 20 0 EGADMP c1ccc(N2CC[NH+](CCC[N@H+]3CCC[C@H]4CCC[C@H]43)CC2)cc1 ZINC000509666320 312122867 /nfs/dbraw/zinc/12/28/67/312122867.db2.gz NVFMHTJGKZIPBX-TZIWHRDSSA-N 2 1 327.516 3.463 20 0 EGADMP OC[C@@H](CC1CCCC1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000510964673 312151867 /nfs/dbraw/zinc/15/18/67/312151867.db2.gz CXLVXECXZOGHAA-OAQYLSRUSA-N 2 1 348.506 3.363 20 0 EGADMP CC[N@@H+](CCN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512622917 312190614 /nfs/dbraw/zinc/19/06/14/312190614.db2.gz CRCDMQSBSCHXPY-BAGYTPMASA-N 2 1 341.543 3.361 20 0 EGADMP CC[NH+](CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512622917 312190616 /nfs/dbraw/zinc/19/06/16/312190616.db2.gz CRCDMQSBSCHXPY-BAGYTPMASA-N 3 1 341.543 3.361 20 0 EGADMP CC[NH+](CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512622917 312190619 /nfs/dbraw/zinc/19/06/19/312190619.db2.gz CRCDMQSBSCHXPY-BAGYTPMASA-N 3 1 341.543 3.361 20 0 EGADMP CCN(CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512622917 312190621 /nfs/dbraw/zinc/19/06/21/312190621.db2.gz CRCDMQSBSCHXPY-BAGYTPMASA-N 3 1 341.543 3.361 20 0 EGADMP CCN(CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512622917 312190623 /nfs/dbraw/zinc/19/06/23/312190623.db2.gz CRCDMQSBSCHXPY-BAGYTPMASA-N 3 1 341.543 3.361 20 0 EGADMP Cc1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1C ZINC000512685177 312192564 /nfs/dbraw/zinc/19/25/64/312192564.db2.gz ACMBEEVMXHDQEI-BGYRXZFFSA-N 2 1 329.532 3.294 20 0 EGADMP Cc1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1C ZINC000512685177 312192565 /nfs/dbraw/zinc/19/25/65/312192565.db2.gz ACMBEEVMXHDQEI-BGYRXZFFSA-N 2 1 329.532 3.294 20 0 EGADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000513499020 312211703 /nfs/dbraw/zinc/21/17/03/312211703.db2.gz DAKGRBVNUCSFJD-JVCXIRSZSA-N 2 1 336.907 3.426 20 0 EGADMP CN(C[C@@H](O)C[N@H+](Cc1ccccc1F)C1CCCCC1)C1CC1 ZINC000515334254 312276953 /nfs/dbraw/zinc/27/69/53/312276953.db2.gz WYKNPDCMVCQSBK-LJQANCHMSA-N 2 1 334.479 3.416 20 0 EGADMP CN(C[C@@H](O)C[N@@H+](Cc1ccccc1F)C1CCCCC1)C1CC1 ZINC000515334254 312276954 /nfs/dbraw/zinc/27/69/54/312276954.db2.gz WYKNPDCMVCQSBK-LJQANCHMSA-N 2 1 334.479 3.416 20 0 EGADMP C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000515777197 312297470 /nfs/dbraw/zinc/29/74/70/312297470.db2.gz YZQOEKNNMXCWJK-YSFYHYPLSA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000515777197 312297471 /nfs/dbraw/zinc/29/74/71/312297471.db2.gz YZQOEKNNMXCWJK-YSFYHYPLSA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000515777197 312297472 /nfs/dbraw/zinc/29/74/72/312297472.db2.gz YZQOEKNNMXCWJK-YSFYHYPLSA-N 2 1 341.543 3.361 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000515777197 312297473 /nfs/dbraw/zinc/29/74/73/312297473.db2.gz YZQOEKNNMXCWJK-YSFYHYPLSA-N 3 1 341.543 3.361 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000515777197 312297474 /nfs/dbraw/zinc/29/74/74/312297474.db2.gz YZQOEKNNMXCWJK-YSFYHYPLSA-N 3 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000515777197 312297475 /nfs/dbraw/zinc/29/74/75/312297475.db2.gz YZQOEKNNMXCWJK-YSFYHYPLSA-N 3 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000515777197 312297476 /nfs/dbraw/zinc/29/74/76/312297476.db2.gz YZQOEKNNMXCWJK-YSFYHYPLSA-N 3 1 341.543 3.361 20 0 EGADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c(OC2CCCC2)c1 ZINC000519138264 312441714 /nfs/dbraw/zinc/44/17/14/312441714.db2.gz NAAMVFWEOFFYPE-HOTGVXAUSA-N 2 1 332.488 3.494 20 0 EGADMP COC[C@H]([NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1)C1CCCC1 ZINC000527350349 312858256 /nfs/dbraw/zinc/85/82/56/312858256.db2.gz KUJYUBQOANBATE-IBGZPJMESA-N 2 1 338.536 3.205 20 0 EGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Br)c(F)c1 ZINC000530513305 313548677 /nfs/dbraw/zinc/54/86/77/313548677.db2.gz FMJCZNPFLIKMEW-JTQLQIEISA-N 2 1 326.213 3.215 20 0 EGADMP CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1(C)C ZINC000531722779 313705707 /nfs/dbraw/zinc/70/57/07/313705707.db2.gz MJFUMGSNTLYGCO-MOPGFXCFSA-N 2 1 334.479 3.236 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC000536609364 314130177 /nfs/dbraw/zinc/13/01/77/314130177.db2.gz FZVYEICXGDZCIQ-OAHLLOKOSA-N 2 1 342.487 3.186 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC000536609364 314130180 /nfs/dbraw/zinc/13/01/80/314130180.db2.gz FZVYEICXGDZCIQ-OAHLLOKOSA-N 2 1 342.487 3.186 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2c(C)cccc2C)[C@@H](C)C1 ZINC000536876428 314151502 /nfs/dbraw/zinc/15/15/02/314151502.db2.gz KXYVSPIHPKCPDN-VQTJNVASSA-N 2 1 348.531 3.409 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@H](C(C)C)[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000537992144 314222472 /nfs/dbraw/zinc/22/24/72/314222472.db2.gz YMACMKVTYNPWMF-COPCDDAFSA-N 2 1 343.559 3.389 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000537992144 314222475 /nfs/dbraw/zinc/22/24/75/314222475.db2.gz YMACMKVTYNPWMF-COPCDDAFSA-N 2 1 343.559 3.389 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000537992144 314222478 /nfs/dbraw/zinc/22/24/78/314222478.db2.gz YMACMKVTYNPWMF-COPCDDAFSA-N 2 1 343.559 3.389 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C(C)C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000537992144 314222482 /nfs/dbraw/zinc/22/24/82/314222482.db2.gz YMACMKVTYNPWMF-COPCDDAFSA-N 2 1 343.559 3.389 20 0 EGADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1(C)C ZINC000538406864 314245205 /nfs/dbraw/zinc/24/52/05/314245205.db2.gz XAPNWMAYJKXANP-CDHQVMDDSA-N 2 1 348.506 3.482 20 0 EGADMP CN(c1ccccc1C[N@H+]1CC[C@H](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000538749969 314272503 /nfs/dbraw/zinc/27/25/03/314272503.db2.gz QOHOPFLDQRESAY-SFHVURJKSA-N 2 1 327.516 3.449 20 0 EGADMP O[C@@]1(C[NH2+][C@@H](c2ccccc2)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000539216472 314300822 /nfs/dbraw/zinc/30/08/22/314300822.db2.gz RLNXAPJULRHEJS-FCHUYYIVSA-N 2 1 336.479 3.364 20 0 EGADMP O[C@@]1(C[NH2+][C@@H](c2ccccc2)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000539216472 314300824 /nfs/dbraw/zinc/30/08/24/314300824.db2.gz RLNXAPJULRHEJS-FCHUYYIVSA-N 2 1 336.479 3.364 20 0 EGADMP CO[C@H](C)[C@@H](C)[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000539295221 314304930 /nfs/dbraw/zinc/30/49/30/314304930.db2.gz LWZDVWZKLLHOLB-FCGDIQPGSA-N 2 1 348.531 3.209 20 0 EGADMP Cc1ccncc1[C@@H](C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000540083638 314361492 /nfs/dbraw/zinc/36/14/92/314361492.db2.gz AIHIRDBMKWAEFB-WIYYLYMNSA-N 2 1 338.499 3.029 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000540150466 314365458 /nfs/dbraw/zinc/36/54/58/314365458.db2.gz DUMYNAMKPNADBJ-FHERZECASA-N 2 1 336.442 3.180 20 0 EGADMP C[C@@H](CCc1ccco1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000545948016 314795962 /nfs/dbraw/zinc/79/59/62/314795962.db2.gz VKPQKVSOGFZVOA-FUHWJXTLSA-N 2 1 347.528 3.241 20 0 EGADMP C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+](C)Cc1ccccc1 ZINC000548389419 315002857 /nfs/dbraw/zinc/00/28/57/315002857.db2.gz JAIIRHFZSXBJDI-SFHVURJKSA-N 2 1 345.531 3.278 20 0 EGADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000548634923 315029092 /nfs/dbraw/zinc/02/90/92/315029092.db2.gz JEUFDMPGTJKJOI-MFKWGIFDSA-N 2 1 328.500 3.036 20 0 EGADMP CCc1oc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1C(=O)OC ZINC000549409356 315090720 /nfs/dbraw/zinc/09/07/20/315090720.db2.gz CQCRNEYEKFRIAU-UHFFFAOYSA-N 2 1 336.476 3.181 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)C1)C1CCCCC1 ZINC000551833323 315171245 /nfs/dbraw/zinc/17/12/45/315171245.db2.gz WMKBEOCTAUOANA-LJQANCHMSA-N 2 1 343.515 3.019 20 0 EGADMP C[NH+](Cc1ccccc1CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC000551833323 315171247 /nfs/dbraw/zinc/17/12/47/315171247.db2.gz WMKBEOCTAUOANA-LJQANCHMSA-N 2 1 343.515 3.019 20 0 EGADMP C[NH+](Cc1ccccc1CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC000551833323 315171249 /nfs/dbraw/zinc/17/12/49/315171249.db2.gz WMKBEOCTAUOANA-LJQANCHMSA-N 2 1 343.515 3.019 20 0 EGADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552049508 315193223 /nfs/dbraw/zinc/19/32/23/315193223.db2.gz XPFMWORSWQUZFN-YUMYIRISSA-N 2 1 341.543 3.361 20 0 EGADMP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000552049508 315193225 /nfs/dbraw/zinc/19/32/25/315193225.db2.gz XPFMWORSWQUZFN-YUMYIRISSA-N 2 1 341.543 3.361 20 0 EGADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000552049508 315193229 /nfs/dbraw/zinc/19/32/29/315193229.db2.gz XPFMWORSWQUZFN-YUMYIRISSA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552049508 315193234 /nfs/dbraw/zinc/19/32/34/315193234.db2.gz XPFMWORSWQUZFN-YUMYIRISSA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552049508 315193237 /nfs/dbraw/zinc/19/32/37/315193237.db2.gz XPFMWORSWQUZFN-YUMYIRISSA-N 2 1 341.543 3.361 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000554112308 315298656 /nfs/dbraw/zinc/29/86/56/315298656.db2.gz PCCSMCKYMGXREG-HZPDHXFCSA-N 2 1 332.492 3.209 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000554346934 315311596 /nfs/dbraw/zinc/31/15/96/315311596.db2.gz KMRRGSZMHVBXTF-QXSJWSMHSA-N 2 1 336.442 3.444 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000554388159 315315336 /nfs/dbraw/zinc/31/53/36/315315336.db2.gz FBTJBZGBRPRVRR-GFOJFJKKSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000554388159 315315339 /nfs/dbraw/zinc/31/53/39/315315339.db2.gz FBTJBZGBRPRVRR-GFOJFJKKSA-N 2 1 330.516 3.428 20 0 EGADMP C[N@H+]1CCN(CCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)[C@@H](c2ccccc2)C1 ZINC000554724538 315345881 /nfs/dbraw/zinc/34/58/81/315345881.db2.gz JRIBBDRSWXYIJA-JSXRDJHFSA-N 2 1 327.516 3.143 20 0 EGADMP CC(C)C1CCC(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000554855757 315352598 /nfs/dbraw/zinc/35/25/98/315352598.db2.gz YAALOBXUGWXONM-GKYDQMIMSA-N 2 1 335.580 3.407 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](C[C@@H](C)C2CCCCC2)CC1 ZINC000555524851 315387806 /nfs/dbraw/zinc/38/78/06/315387806.db2.gz RDJXTNOLOOGFOP-GOSISDBHSA-N 2 1 340.552 3.262 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2)cc1F ZINC000560321602 315673626 /nfs/dbraw/zinc/67/36/26/315673626.db2.gz PDDNTRDBTSRCKE-SFHVURJKSA-N 2 1 339.414 3.013 20 0 EGADMP CC(C)[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc2c(c1)OCCO2 ZINC000563545229 316036812 /nfs/dbraw/zinc/03/68/12/316036812.db2.gz JOYAMZWJCNYEFF-IBGZPJMESA-N 2 1 329.444 3.111 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000564850146 316216984 /nfs/dbraw/zinc/21/69/84/316216984.db2.gz QQSOVHSSRBSDTP-UNMCSNQZSA-N 2 1 338.495 3.058 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000564850146 316216988 /nfs/dbraw/zinc/21/69/88/316216988.db2.gz QQSOVHSSRBSDTP-UNMCSNQZSA-N 2 1 338.495 3.058 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)CC(F)(F)F)CC1 ZINC000564853402 316217849 /nfs/dbraw/zinc/21/78/49/316217849.db2.gz DMZNMXDWDAHZOL-CJNGLKHVSA-N 2 1 330.394 3.115 20 0 EGADMP C[C@H]1C[N@H+](CCS[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC000564965799 316238799 /nfs/dbraw/zinc/23/87/99/316238799.db2.gz LRQDUGMBHLOXRG-PKOBYXMFSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@H]1C[N@@H+](CCS[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC000564965799 316238804 /nfs/dbraw/zinc/23/88/04/316238804.db2.gz LRQDUGMBHLOXRG-PKOBYXMFSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@H]1C[NH+](CCS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000564965799 316238807 /nfs/dbraw/zinc/23/88/07/316238807.db2.gz LRQDUGMBHLOXRG-PKOBYXMFSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@H]1C[NH+](CCS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000564965799 316238813 /nfs/dbraw/zinc/23/88/13/316238813.db2.gz LRQDUGMBHLOXRG-PKOBYXMFSA-N 2 1 334.529 3.105 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H]3CCCC[C@H]3O)C2)s1 ZINC000565049427 316255699 /nfs/dbraw/zinc/25/56/99/316255699.db2.gz PQJBISRBSITQSR-ZHALLVOQSA-N 2 1 336.545 3.361 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H]3CCCC[C@H]3O)C2)s1 ZINC000565049427 316255702 /nfs/dbraw/zinc/25/57/02/316255702.db2.gz PQJBISRBSITQSR-ZHALLVOQSA-N 2 1 336.545 3.361 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H]3CCCC[C@H]3O)C2)s1 ZINC000565049427 316255705 /nfs/dbraw/zinc/25/57/05/316255705.db2.gz PQJBISRBSITQSR-ZHALLVOQSA-N 2 1 336.545 3.361 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000570625985 317083097 /nfs/dbraw/zinc/08/30/97/317083097.db2.gz TWQRDWWUZFVHTE-OAHLLOKOSA-N 2 1 337.895 3.379 20 0 EGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Br)cn1 ZINC000571468361 317203404 /nfs/dbraw/zinc/20/34/04/317203404.db2.gz DPLONEDDLKTWEC-FPMFFAJLSA-N 2 1 326.282 3.368 20 0 EGADMP CN(Cc1cccc(O)c1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000572065352 317285572 /nfs/dbraw/zinc/28/55/72/317285572.db2.gz MAOOLOFQAVURJQ-NRFANRHFSA-N 2 1 340.467 3.115 20 0 EGADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000572148944 317298602 /nfs/dbraw/zinc/29/86/02/317298602.db2.gz KWMGIZXFRXQLOO-YLJYHZDGSA-N 2 1 348.531 3.145 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2cn3ccccc3n2)C[C@@H]1c1ccccc1 ZINC000572666667 317372474 /nfs/dbraw/zinc/37/24/74/317372474.db2.gz UNZDNMLLDRBORC-AZUAARDMSA-N 2 1 334.467 3.302 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cn3ccccc3n2)C[C@@H]1c1ccccc1 ZINC000572666667 317372476 /nfs/dbraw/zinc/37/24/76/317372476.db2.gz UNZDNMLLDRBORC-AZUAARDMSA-N 2 1 334.467 3.302 20 0 EGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000183052142 323591908 /nfs/dbraw/zinc/59/19/08/323591908.db2.gz YXNLTVJVEXMDMX-AZUAARDMSA-N 2 1 349.563 3.079 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4COc5ccccc5C4)[C@@H]3C2)cc1 ZINC000380816693 324244622 /nfs/dbraw/zinc/24/46/22/324244622.db2.gz DPUFIQWIVIPHCU-KJJMTIBFSA-N 2 1 348.490 3.490 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000382778698 324253595 /nfs/dbraw/zinc/25/35/95/324253595.db2.gz YFFKNOXWLFITRF-QBPKDAKJSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOCC(F)(F)F ZINC000397976708 324294715 /nfs/dbraw/zinc/29/47/15/324294715.db2.gz KYPYLOXGFQGMCS-WBVHZDCISA-N 2 1 344.421 3.456 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOCC(F)(F)F ZINC000397976708 324294719 /nfs/dbraw/zinc/29/47/19/324294719.db2.gz KYPYLOXGFQGMCS-WBVHZDCISA-N 2 1 344.421 3.456 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495122363 324377065 /nfs/dbraw/zinc/37/70/65/324377065.db2.gz KCKYNUAQRMAHKT-IRXDYDNUSA-N 2 1 339.524 3.098 20 0 EGADMP Cc1cccc2c1cc[nH+]c2N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000578013355 324903666 /nfs/dbraw/zinc/90/36/66/324903666.db2.gz OKKQUWLXBNXEME-MOPGFXCFSA-N 2 1 325.456 3.266 20 0 EGADMP OCC1([NH2+]CC2CC2)CC[NH+](CCc2ccc3ccccc3c2)CC1 ZINC000578240036 324941062 /nfs/dbraw/zinc/94/10/62/324941062.db2.gz FHJYIVWURZQHOM-UHFFFAOYSA-N 2 1 338.495 3.209 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000579254485 325085582 /nfs/dbraw/zinc/08/55/82/325085582.db2.gz KZBAOYYEGZAREC-XLIONFOSSA-N 2 1 326.484 3.109 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000579335183 325095937 /nfs/dbraw/zinc/09/59/37/325095937.db2.gz LKEWVRHMJKLWOD-ROUUACIJSA-N 2 1 333.451 3.069 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000579335183 325095941 /nfs/dbraw/zinc/09/59/41/325095941.db2.gz LKEWVRHMJKLWOD-ROUUACIJSA-N 2 1 333.451 3.069 20 0 EGADMP CCC[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C1CCC1 ZINC000580094043 325203322 /nfs/dbraw/zinc/20/33/22/325203322.db2.gz LXIIGPSMDWJIAO-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000580315409 325233882 /nfs/dbraw/zinc/23/38/82/325233882.db2.gz HKDATTWUEVBIST-GJZGRUSLSA-N 2 1 330.451 3.017 20 0 EGADMP C[C@H](C[NH2+]C1(CCO)CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000580678078 325281493 /nfs/dbraw/zinc/28/14/93/325281493.db2.gz VAQCONSRCHIMNL-CQSZACIVSA-N 2 1 344.421 3.245 20 0 EGADMP FC(F)n1c2ccccc2nc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000580895680 325306845 /nfs/dbraw/zinc/30/68/45/325306845.db2.gz MLQPIAMBHYXUMJ-KBPBESRZSA-N 2 1 334.414 3.253 20 0 EGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000582203679 325422201 /nfs/dbraw/zinc/42/22/01/325422201.db2.gz OUONPXNZRLZGOV-BFUOFWGJSA-N 2 1 338.386 3.327 20 0 EGADMP C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000189797276 455240573 /nfs/dbraw/zinc/24/05/73/455240573.db2.gz HQXAQPNWCISBNS-INIZCTEOSA-N 2 1 348.539 3.293 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000158025449 455260167 /nfs/dbraw/zinc/26/01/67/455260167.db2.gz NEMGJQOPHGJTDC-IXDOHACOSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000245540762 455325820 /nfs/dbraw/zinc/32/58/20/455325820.db2.gz MYTUNUUYVTZBHQ-AZUAARDMSA-N 2 1 332.488 3.018 20 0 EGADMP C[NH+](Cc1ccc(OC[C@H]2CCCO2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000245540762 455325823 /nfs/dbraw/zinc/32/58/23/455325823.db2.gz MYTUNUUYVTZBHQ-AZUAARDMSA-N 2 1 332.488 3.018 20 0 EGADMP C[NH+](Cc1ccc(OC[C@H]2CCCO2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000245540762 455325825 /nfs/dbraw/zinc/32/58/25/455325825.db2.gz MYTUNUUYVTZBHQ-AZUAARDMSA-N 2 1 332.488 3.018 20 0 EGADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cn(C(C)(C)C)nn2)c1 ZINC000190789671 455382978 /nfs/dbraw/zinc/38/29/78/455382978.db2.gz HHEPWWXHVCRTEH-UHFFFAOYSA-N 2 1 329.492 3.165 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000040620661 453953002 /nfs/dbraw/zinc/95/30/02/453953002.db2.gz PSSKGCIFQOYIQO-GFCCVEGCSA-N 2 1 329.257 3.408 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000040620661 453953006 /nfs/dbraw/zinc/95/30/06/453953006.db2.gz PSSKGCIFQOYIQO-GFCCVEGCSA-N 2 1 329.257 3.408 20 0 EGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000184505882 455392320 /nfs/dbraw/zinc/39/23/20/455392320.db2.gz AMTHZXWVSLGQHP-IAGOWNOFSA-N 2 1 348.487 3.154 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(C)c1 ZINC000076329435 453989118 /nfs/dbraw/zinc/98/91/18/453989118.db2.gz WDYUZYKZHZSJDB-LJQANCHMSA-N 2 1 346.519 3.183 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000069090864 454078743 /nfs/dbraw/zinc/07/87/43/454078743.db2.gz GDHYLLHLYBQINE-KRWDZBQOSA-N 2 1 331.504 3.019 20 0 EGADMP CCC[NH+](C)CC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000069090864 454078746 /nfs/dbraw/zinc/07/87/46/454078746.db2.gz GDHYLLHLYBQINE-KRWDZBQOSA-N 2 1 331.504 3.019 20 0 EGADMP CCC[NH+](C)CC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000069090864 454078747 /nfs/dbraw/zinc/07/87/47/454078747.db2.gz GDHYLLHLYBQINE-KRWDZBQOSA-N 2 1 331.504 3.019 20 0 EGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000265910718 455403908 /nfs/dbraw/zinc/40/39/08/455403908.db2.gz XUWXFMJHAROXKF-RTWAWAEBSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000265910718 455403915 /nfs/dbraw/zinc/40/39/15/455403915.db2.gz XUWXFMJHAROXKF-RTWAWAEBSA-N 2 1 349.478 3.141 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OC(F)F ZINC000058061031 454162239 /nfs/dbraw/zinc/16/22/39/454162239.db2.gz WTVHXYSNALWPQM-AWEZNQCLSA-N 2 1 328.403 3.117 20 0 EGADMP CC[N@H+](CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1CC1 ZINC000131037979 454231994 /nfs/dbraw/zinc/23/19/94/454231994.db2.gz NXWHNCQSTDAUPF-GOSISDBHSA-N 2 1 349.906 3.077 20 0 EGADMP CC[N@@H+](CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1CC1 ZINC000131037979 454231996 /nfs/dbraw/zinc/23/19/96/454231996.db2.gz NXWHNCQSTDAUPF-GOSISDBHSA-N 2 1 349.906 3.077 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCCOC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000090083814 454274436 /nfs/dbraw/zinc/27/44/36/454274436.db2.gz ZOKSJDMFGOZFIL-AZUAARDMSA-N 2 1 346.515 3.215 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCCOC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000090083814 454274440 /nfs/dbraw/zinc/27/44/40/454274440.db2.gz ZOKSJDMFGOZFIL-AZUAARDMSA-N 2 1 346.515 3.215 20 0 EGADMP Cc1nc2c(s1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CCC2 ZINC000090523758 454315611 /nfs/dbraw/zinc/31/56/11/454315611.db2.gz KWVNKNOANVOEIH-KURKYZTESA-N 2 1 349.544 3.186 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000090720521 454338127 /nfs/dbraw/zinc/33/81/27/454338127.db2.gz DRZONGZVGKRUOH-DGCLKSJQSA-N 2 1 327.266 3.030 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Br ZINC000090720521 454338130 /nfs/dbraw/zinc/33/81/30/454338130.db2.gz DRZONGZVGKRUOH-DGCLKSJQSA-N 2 1 327.266 3.030 20 0 EGADMP c1ccc2c(c1)SCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132848957 454371278 /nfs/dbraw/zinc/37/12/78/454371278.db2.gz NXSOGFBCXMUWDD-CRAIPNDOSA-N 2 1 332.513 3.314 20 0 EGADMP Cc1cc(Cl)cc(C)c1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121085177 454388700 /nfs/dbraw/zinc/38/87/00/454388700.db2.gz SMJKHLFXASLTFU-INIZCTEOSA-N 2 1 338.923 3.481 20 0 EGADMP Cc1ccc(NCCCNC(=O)Nc2cccc(C[NH+](C)C)c2)[nH+]c1 ZINC000079439463 454416420 /nfs/dbraw/zinc/41/64/20/454416420.db2.gz VPXCVHMOBFRIMT-UHFFFAOYSA-N 2 1 341.459 3.075 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000121445078 454436725 /nfs/dbraw/zinc/43/67/25/454436725.db2.gz WOLANWJGZATAQM-DLBZAZTESA-N 3 1 344.503 3.119 20 0 EGADMP Cc1cc(C)c(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c(C)c1 ZINC000121603322 454456965 /nfs/dbraw/zinc/45/69/65/454456965.db2.gz FLUNSBWJHMPYAB-UHFFFAOYSA-N 2 1 331.504 3.214 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000101653262 454478767 /nfs/dbraw/zinc/47/87/67/454478767.db2.gz BWURXVFNXCHNOT-CALCHBBNSA-N 2 1 345.531 3.235 20 0 EGADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000134080182 454501027 /nfs/dbraw/zinc/50/10/27/454501027.db2.gz FJOIWUJONCDQGR-GJZGRUSLSA-N 2 1 349.485 3.359 20 0 EGADMP Cc1ccc([C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[NH+](C)C)cc1 ZINC000074249040 454550042 /nfs/dbraw/zinc/55/00/42/454550042.db2.gz VDVKZAZAZCRAFJ-GOSISDBHSA-N 2 1 342.487 3.124 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)CCC(F)(F)F)CC1 ZINC000092479473 454572688 /nfs/dbraw/zinc/57/26/88/454572688.db2.gz CBWILWGBLOCJAB-UHFFFAOYSA-N 2 1 329.410 3.213 20 0 EGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(Cl)o3)CC2)C[C@@H](C)O1 ZINC000092586972 454590547 /nfs/dbraw/zinc/59/05/47/454590547.db2.gz YMQZDBSLLKVPCD-ZIAGYGMSSA-N 2 1 326.868 3.254 20 0 EGADMP CC[C@H](C[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1)[NH+]1CCCC1 ZINC000123083428 454600956 /nfs/dbraw/zinc/60/09/56/454600956.db2.gz UTVXLKKJCFBBTN-HZPDHXFCSA-N 2 1 341.499 3.498 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)s1 ZINC000092746323 454623739 /nfs/dbraw/zinc/62/37/39/454623739.db2.gz CSWITFUJXQXBLL-GDBMZVCRSA-N 2 1 339.549 3.411 20 0 EGADMP CC(C)CCOc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000105476923 454640532 /nfs/dbraw/zinc/64/05/32/454640532.db2.gz ASIMCSKPPUMNCI-UHFFFAOYSA-N 2 1 347.547 3.229 20 0 EGADMP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000635006757 460649418 /nfs/dbraw/zinc/64/94/18/460649418.db2.gz SMYUUNAQQRBJNS-GLOJMNGXSA-N 3 1 341.543 3.394 20 0 EGADMP CC(C)C[C@@H]1CCCCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093563478 454721190 /nfs/dbraw/zinc/72/11/90/454721190.db2.gz QSTVAPPBJIVTOY-IBGZPJMESA-N 2 1 345.535 3.019 20 0 EGADMP CC(C)C[C@@H]1CCCCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093563478 454721194 /nfs/dbraw/zinc/72/11/94/454721194.db2.gz QSTVAPPBJIVTOY-IBGZPJMESA-N 2 1 345.535 3.019 20 0 EGADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)o1 ZINC000136233066 454731089 /nfs/dbraw/zinc/73/10/89/454731089.db2.gz DNAWAZJYJJXNNL-RHSMWYFYSA-N 2 1 329.444 3.028 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+](C)CCCn1ccnc1C ZINC000136291042 454733620 /nfs/dbraw/zinc/73/36/20/454733620.db2.gz OPFVMEKVWONDHS-IBGZPJMESA-N 2 1 342.487 3.123 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000136291042 454733623 /nfs/dbraw/zinc/73/36/23/454733623.db2.gz OPFVMEKVWONDHS-IBGZPJMESA-N 2 1 342.487 3.123 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000136291042 454733627 /nfs/dbraw/zinc/73/36/27/454733627.db2.gz OPFVMEKVWONDHS-IBGZPJMESA-N 2 1 342.487 3.123 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000176494833 454751843 /nfs/dbraw/zinc/75/18/43/454751843.db2.gz AAJLLDDSXIOQSM-ZDUSSCGKSA-N 2 1 327.407 3.147 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000162189111 454757500 /nfs/dbraw/zinc/75/75/00/454757500.db2.gz PPPVUVNIHBXLCF-XHBSWPGZSA-N 2 1 343.284 3.449 20 0 EGADMP Cc1cc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000153117298 454761918 /nfs/dbraw/zinc/76/19/18/454761918.db2.gz FHUWNWQUJZPZCQ-DLBZAZTESA-N 2 1 331.847 3.024 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+]Cc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000635011109 460654096 /nfs/dbraw/zinc/65/40/96/460654096.db2.gz OZTASFWJTWNJKK-UHFFFAOYSA-N 3 1 349.522 3.129 20 0 EGADMP c1ccc(CC[NH+]2CCC(NCc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000635011109 460654103 /nfs/dbraw/zinc/65/41/03/460654103.db2.gz OZTASFWJTWNJKK-UHFFFAOYSA-N 2 1 349.522 3.129 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC[C@@H]1CCC[N@H+](C)C1 ZINC000108428772 454797788 /nfs/dbraw/zinc/79/77/88/454797788.db2.gz HWRVTFQRPHLLEA-HNNXBMFYSA-N 2 1 348.441 3.199 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000108428772 454797795 /nfs/dbraw/zinc/79/77/95/454797795.db2.gz HWRVTFQRPHLLEA-HNNXBMFYSA-N 2 1 348.441 3.199 20 0 EGADMP CC(C)COC[C@@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915219 454799146 /nfs/dbraw/zinc/79/91/46/454799146.db2.gz NHJFHSQOBHIQIU-TYPHKJRUSA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915219 454799147 /nfs/dbraw/zinc/79/91/47/454799147.db2.gz NHJFHSQOBHIQIU-TYPHKJRUSA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915219 454799148 /nfs/dbraw/zinc/79/91/48/454799148.db2.gz NHJFHSQOBHIQIU-TYPHKJRUSA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915219 454799149 /nfs/dbraw/zinc/79/91/49/454799149.db2.gz NHJFHSQOBHIQIU-TYPHKJRUSA-N 2 1 348.531 3.005 20 0 EGADMP CCOc1c(OC)cc(C[N@@H+](C)C2CCN(CC)CC2)cc1OC ZINC000125274845 454809687 /nfs/dbraw/zinc/80/96/87/454809687.db2.gz SXHNVQNRTWISAY-UHFFFAOYSA-N 2 1 336.476 3.019 20 0 EGADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000153599330 454810579 /nfs/dbraw/zinc/81/05/79/454810579.db2.gz RVPLUHPVOJCVOV-XLIONFOSSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(Br)s1 ZINC000154188736 454873164 /nfs/dbraw/zinc/87/31/64/454873164.db2.gz ZALWNFHMYRDDOF-NTZNESFSSA-N 2 1 331.323 3.371 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC000246387067 455481058 /nfs/dbraw/zinc/48/10/58/455481058.db2.gz ITNZTCMHOKCAFW-QUCCMNQESA-N 2 1 345.531 3.164 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc(=O)oc2c1 ZINC000150755960 454887730 /nfs/dbraw/zinc/88/77/30/454887730.db2.gz ANJHWJHVTIMFAT-MRXNPFEDSA-N 2 1 326.440 3.019 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc(=O)oc2c1 ZINC000150755960 454887734 /nfs/dbraw/zinc/88/77/34/454887734.db2.gz ANJHWJHVTIMFAT-MRXNPFEDSA-N 2 1 326.440 3.019 20 0 EGADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177677240 454891047 /nfs/dbraw/zinc/89/10/47/454891047.db2.gz DYYQFXYFQLONBR-IBGZPJMESA-N 2 1 343.515 3.019 20 0 EGADMP c1ccc(-c2noc(CCC[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)n2)cc1 ZINC000150838206 454899716 /nfs/dbraw/zinc/89/97/16/454899716.db2.gz LZEVHZBLQVHZPT-QGZVFWFLSA-N 2 1 340.471 3.087 20 0 EGADMP c1ccc(-c2noc(CCC[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)n2)cc1 ZINC000150838206 454899722 /nfs/dbraw/zinc/89/97/22/454899722.db2.gz LZEVHZBLQVHZPT-QGZVFWFLSA-N 2 1 340.471 3.087 20 0 EGADMP Cc1ccnc(N2CC[NH+](Cc3ccc(F)c4cccnc34)CC2)c1 ZINC000165977547 454906490 /nfs/dbraw/zinc/90/64/90/454906490.db2.gz FPOOEODXYHFGOS-UHFFFAOYSA-N 2 1 336.414 3.400 20 0 EGADMP CCCCC[N@@H+](CCO)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000126884643 454924843 /nfs/dbraw/zinc/92/48/43/454924843.db2.gz CXBYGBSMMMSBKX-UHFFFAOYSA-N 2 1 347.547 3.202 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000151045768 454930123 /nfs/dbraw/zinc/93/01/23/454930123.db2.gz PAPVDMAWGVSKPY-GJYPPUQNSA-N 2 1 329.488 3.022 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000127386339 454959560 /nfs/dbraw/zinc/95/95/60/454959560.db2.gz MIYFXYNOGGOKBL-HXUWFJFHSA-N 2 1 326.488 3.178 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000127386339 454959566 /nfs/dbraw/zinc/95/95/66/454959566.db2.gz MIYFXYNOGGOKBL-HXUWFJFHSA-N 2 1 326.488 3.178 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(-c2ccncc2)c1 ZINC000151349601 454973080 /nfs/dbraw/zinc/97/30/80/454973080.db2.gz JDBHGRSHCUVLBC-UWJYYQICSA-N 2 1 339.483 3.246 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000151661935 455014121 /nfs/dbraw/zinc/01/41/21/455014121.db2.gz UKBVKJZFFPSPOZ-HZPDHXFCSA-N 2 1 335.458 3.209 20 0 EGADMP C[C@H](CNC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC000116396050 455055088 /nfs/dbraw/zinc/05/50/88/455055088.db2.gz KQAXAVDLLUSSQV-AOIWGVFYSA-N 2 1 347.547 3.251 20 0 EGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)c(Cl)c1 ZINC000128444794 455057199 /nfs/dbraw/zinc/05/71/99/455057199.db2.gz YDJAYNZJJRPVDU-AWEZNQCLSA-N 2 1 327.875 3.157 20 0 EGADMP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)c2ccccc2)CC1 ZINC000600965635 460659238 /nfs/dbraw/zinc/65/92/38/460659238.db2.gz RCKPOLTZXJZZRV-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128500498 455062162 /nfs/dbraw/zinc/06/21/62/455062162.db2.gz DCGHZIMAKFPZOF-GOSISDBHSA-N 2 1 333.520 3.152 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]([NH3+])c2ccccc2)cc1)C(C)C ZINC000152109132 455073677 /nfs/dbraw/zinc/07/36/77/455073677.db2.gz VPRPDGYEOYLFDO-FQEVSTJZSA-N 2 1 339.483 3.347 20 0 EGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000623655618 460663387 /nfs/dbraw/zinc/66/33/87/460663387.db2.gz ALDJICTVKPHSMY-CQSZACIVSA-N 2 1 338.879 3.323 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000623655618 460663395 /nfs/dbraw/zinc/66/33/95/460663395.db2.gz ALDJICTVKPHSMY-CQSZACIVSA-N 2 1 338.879 3.323 20 0 EGADMP Fc1cccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)c1Br ZINC000156706177 455145774 /nfs/dbraw/zinc/14/57/74/455145774.db2.gz XGNFCFDJQXPZOV-NSHDSACASA-N 2 1 327.241 3.162 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)[C@H](C)C1 ZINC000156856969 455153568 /nfs/dbraw/zinc/15/35/68/455153568.db2.gz RLLOJQRGGAENDG-PBHICJAKSA-N 2 1 346.450 3.128 20 0 EGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180406852 455164540 /nfs/dbraw/zinc/16/45/40/455164540.db2.gz IYFBKYFEEQJUPH-QQFBHYJXSA-N 2 1 327.513 3.142 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180406852 455164542 /nfs/dbraw/zinc/16/45/42/455164542.db2.gz IYFBKYFEEQJUPH-QQFBHYJXSA-N 2 1 327.513 3.142 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000182805849 455168422 /nfs/dbraw/zinc/16/84/22/455168422.db2.gz ZMCGOAOGXBRJNE-MDZRGWNJSA-N 2 1 333.545 3.376 20 0 EGADMP O=C(CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccc(F)cc1 ZINC000157158483 455168760 /nfs/dbraw/zinc/16/87/60/455168760.db2.gz ZMNOGKNYBBUSJO-SFHVURJKSA-N 2 1 333.451 3.105 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC2CC[NH2+]CC2)cc1 ZINC000237526504 455191954 /nfs/dbraw/zinc/19/19/54/455191954.db2.gz FTSGHTLCFJWWDR-INIZCTEOSA-N 2 1 329.488 3.389 20 0 EGADMP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000173616164 455316731 /nfs/dbraw/zinc/31/67/31/455316731.db2.gz ISLIZUYGOPVZMQ-IAGOWNOFSA-N 2 1 345.531 3.277 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Cc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000245580235 455335161 /nfs/dbraw/zinc/33/51/61/455335161.db2.gz GVEHFAAUQMMCPF-NUJGCVRESA-N 2 1 334.504 3.202 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3Cl)CC[C@@H]21 ZINC000158987582 455344168 /nfs/dbraw/zinc/34/41/68/455344168.db2.gz NZUBRMZNLZFECT-YOEHRIQHSA-N 2 1 335.879 3.085 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3Cl)CC[C@@H]21 ZINC000158987582 455344171 /nfs/dbraw/zinc/34/41/71/455344171.db2.gz NZUBRMZNLZFECT-YOEHRIQHSA-N 2 1 335.879 3.085 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000181519728 455348107 /nfs/dbraw/zinc/34/81/07/455348107.db2.gz BWQQTYGMJSXIJM-QQMNAOGKSA-N 2 1 336.545 3.443 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCOCC4CC4)CC[C@@H]32)cc1 ZINC000159263619 455365688 /nfs/dbraw/zinc/36/56/88/455365688.db2.gz IXWLQAQGPLHNPY-RTWAWAEBSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCOCC4CC4)CC[C@@H]32)cc1 ZINC000159263619 455365692 /nfs/dbraw/zinc/36/56/92/455365692.db2.gz IXWLQAQGPLHNPY-RTWAWAEBSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCOCC4CC4)CC[C@@H]32)cc1 ZINC000159263619 455365697 /nfs/dbraw/zinc/36/56/97/455365697.db2.gz IXWLQAQGPLHNPY-RTWAWAEBSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCOCC4CC4)CC[C@@H]32)cc1 ZINC000159263619 455365700 /nfs/dbraw/zinc/36/57/00/455365700.db2.gz IXWLQAQGPLHNPY-RTWAWAEBSA-N 2 1 328.500 3.400 20 0 EGADMP CCC1(CC)[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C[C@H]1OC ZINC000181948054 455402845 /nfs/dbraw/zinc/40/28/45/455402845.db2.gz CAZFZDLQJAGQRU-QZTJIDSGSA-N 2 1 338.536 3.205 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000246182785 455443146 /nfs/dbraw/zinc/44/31/46/455443146.db2.gz KPGLDIBEPQXZCL-GVDBMIGSSA-N 2 1 339.524 3.096 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000182249645 455471639 /nfs/dbraw/zinc/47/16/39/455471639.db2.gz WYZBXEALIIMALV-OAQYLSRUSA-N 2 1 332.532 3.424 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)Cc1ccccc1 ZINC000246832463 455528071 /nfs/dbraw/zinc/52/80/71/455528071.db2.gz BTIOXDBXXIVDKI-IZZBFERCSA-N 2 1 331.548 3.258 20 0 EGADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246878197 455532704 /nfs/dbraw/zinc/53/27/04/455532704.db2.gz DUNVTUYXTGCENA-RXVVDRJESA-N 3 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000246878197 455532708 /nfs/dbraw/zinc/53/27/08/455532708.db2.gz DUNVTUYXTGCENA-RXVVDRJESA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccccc2CN[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000246878197 455532712 /nfs/dbraw/zinc/53/27/12/455532712.db2.gz DUNVTUYXTGCENA-RXVVDRJESA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccccc2CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246878197 455532715 /nfs/dbraw/zinc/53/27/15/455532715.db2.gz DUNVTUYXTGCENA-RXVVDRJESA-N 2 1 329.532 3.491 20 0 EGADMP CCOC(=O)CCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247110481 455560133 /nfs/dbraw/zinc/56/01/33/455560133.db2.gz PARHOYLRCNLMEW-PKOBYXMFSA-N 2 1 332.488 3.315 20 0 EGADMP CCOC(=O)CCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247110481 455560137 /nfs/dbraw/zinc/56/01/37/455560137.db2.gz PARHOYLRCNLMEW-PKOBYXMFSA-N 2 1 332.488 3.315 20 0 EGADMP CCOC(=O)CCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247110481 455560140 /nfs/dbraw/zinc/56/01/40/455560140.db2.gz PARHOYLRCNLMEW-PKOBYXMFSA-N 2 1 332.488 3.315 20 0 EGADMP CCOC(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247110481 455560141 /nfs/dbraw/zinc/56/01/41/455560141.db2.gz PARHOYLRCNLMEW-PKOBYXMFSA-N 2 1 332.488 3.315 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cnn(C(C)C)c2)[C@@H](C)C1 ZINC000247118933 455561617 /nfs/dbraw/zinc/56/16/17/455561617.db2.gz AIVXUICPFOVGCC-SCTDSRPQSA-N 2 1 336.524 3.252 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cnn(C(C)C)c2)[C@@H](C)C1 ZINC000247118933 455561620 /nfs/dbraw/zinc/56/16/20/455561620.db2.gz AIVXUICPFOVGCC-SCTDSRPQSA-N 2 1 336.524 3.252 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000247166962 455568374 /nfs/dbraw/zinc/56/83/74/455568374.db2.gz ULHWWBCSZSHVRS-BQFCYCMXSA-N 2 1 348.487 3.203 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000268026168 455582116 /nfs/dbraw/zinc/58/21/16/455582116.db2.gz KVZDUWXMHZIWJJ-UHFFFAOYSA-N 2 1 345.512 3.062 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185732261 455608800 /nfs/dbraw/zinc/60/88/00/455608800.db2.gz NUSYGIYDWUIVMV-RCCFBDPRSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185732261 455608805 /nfs/dbraw/zinc/60/88/05/455608805.db2.gz NUSYGIYDWUIVMV-RCCFBDPRSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cccnc3Cl)cc2)CC1 ZINC000283968674 455617929 /nfs/dbraw/zinc/61/79/29/455617929.db2.gz LBQFIMDSZSTKOG-UHFFFAOYSA-N 2 1 345.874 3.498 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CCCO1 ZINC000277666899 455629114 /nfs/dbraw/zinc/62/91/14/455629114.db2.gz FWAVWGUBPWOUGI-CYBMUJFWSA-N 2 1 348.384 3.435 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CCCO1 ZINC000277666899 455629119 /nfs/dbraw/zinc/62/91/19/455629119.db2.gz FWAVWGUBPWOUGI-CYBMUJFWSA-N 2 1 348.384 3.435 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000271457334 455644150 /nfs/dbraw/zinc/64/41/50/455644150.db2.gz FNACALPBBCZOLS-FQEVSTJZSA-N 2 1 328.500 3.385 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000271476509 455652050 /nfs/dbraw/zinc/65/20/50/455652050.db2.gz JSPVSYNLERCRDR-CQDKDKBSSA-N 2 1 331.287 3.347 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H]3CN(CCOCC4CC4)CC[C@H]32)cc1 ZINC000247987053 455666103 /nfs/dbraw/zinc/66/61/03/455666103.db2.gz IXWLQAQGPLHNPY-LEWJYISDSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](CCOCC4CC4)CC[C@H]32)cc1 ZINC000247987053 455666107 /nfs/dbraw/zinc/66/61/07/455666107.db2.gz IXWLQAQGPLHNPY-LEWJYISDSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CCOCC4CC4)CC[C@H]32)cc1 ZINC000247987053 455666114 /nfs/dbraw/zinc/66/61/14/455666114.db2.gz IXWLQAQGPLHNPY-LEWJYISDSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CCOCC4CC4)CC[C@H]32)cc1 ZINC000247987053 455666121 /nfs/dbraw/zinc/66/61/21/455666121.db2.gz IXWLQAQGPLHNPY-LEWJYISDSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CCOCC4CC4)CC[C@H]32)cc1 ZINC000247987053 455666126 /nfs/dbraw/zinc/66/61/26/455666126.db2.gz IXWLQAQGPLHNPY-LEWJYISDSA-N 2 1 328.500 3.400 20 0 EGADMP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)ccn1 ZINC000271529848 455674047 /nfs/dbraw/zinc/67/40/47/455674047.db2.gz PNAVBSXPQMGCCY-QGZVFWFLSA-N 2 1 347.409 3.077 20 0 EGADMP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000271536363 455676021 /nfs/dbraw/zinc/67/60/21/455676021.db2.gz LCIKLQXBSABCCN-AEFFLSMTSA-N 2 1 334.479 3.237 20 0 EGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000271554780 455683504 /nfs/dbraw/zinc/68/35/04/455683504.db2.gz VOOJWUSIKKGPDP-UFYCRDLUSA-N 2 1 344.499 3.176 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000192847440 455706293 /nfs/dbraw/zinc/70/62/93/455706293.db2.gz PNCFBKGOYOLENT-GJZGRUSLSA-N 2 1 334.460 3.074 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000192847440 455706301 /nfs/dbraw/zinc/70/63/01/455706301.db2.gz PNCFBKGOYOLENT-GJZGRUSLSA-N 2 1 334.460 3.074 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]CCC[N@@H+]3CCCC[C@H]3C)c(C)n2n1 ZINC000248512433 455717801 /nfs/dbraw/zinc/71/78/01/455717801.db2.gz BCQBLWHFFKZXRV-CVEARBPZSA-N 2 1 329.492 3.261 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]CCC[N@H+]3CCCC[C@H]3C)c(C)n2n1 ZINC000248512433 455717805 /nfs/dbraw/zinc/71/78/05/455717805.db2.gz BCQBLWHFFKZXRV-CVEARBPZSA-N 2 1 329.492 3.261 20 0 EGADMP COc1ccc2oc(C[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)cc2c1 ZINC000277968827 455723243 /nfs/dbraw/zinc/72/32/43/455723243.db2.gz SLXPMZCKWSTEDC-HNNXBMFYSA-N 2 1 332.444 3.032 20 0 EGADMP COc1ccc2oc(C[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)cc2c1 ZINC000277968827 455723249 /nfs/dbraw/zinc/72/32/49/455723249.db2.gz SLXPMZCKWSTEDC-HNNXBMFYSA-N 2 1 332.444 3.032 20 0 EGADMP CC(C)c1nnc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[nH]1 ZINC000292672437 455727957 /nfs/dbraw/zinc/72/79/57/455727957.db2.gz CISSADRJNWPLAC-QGZVFWFLSA-N 2 1 341.503 3.318 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000616995209 460692925 /nfs/dbraw/zinc/69/29/25/460692925.db2.gz NAPUBBMUUQOJMD-PKOBYXMFSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000271767387 455753027 /nfs/dbraw/zinc/75/30/27/455753027.db2.gz FGCOFACCIHXHEZ-RDJZCZTQSA-N 2 1 331.460 3.168 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2([S@](C)=O)CCC2)CC1 ZINC000284952680 455766886 /nfs/dbraw/zinc/76/68/86/455766886.db2.gz FFKJUKXEMASJOF-MORLXBONSA-N 2 1 348.556 3.320 20 0 EGADMP CC(C)CNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000249748150 455773403 /nfs/dbraw/zinc/77/34/03/455773403.db2.gz FIKNLFDROBTZPV-ZWKOTPCHSA-N 2 1 345.531 3.169 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@](C)(O)C(F)(F)F)CC1 ZINC000285032071 455780056 /nfs/dbraw/zinc/78/00/56/455780056.db2.gz HTKQBLOICFZZQK-OFLPRAFFSA-N 2 1 344.421 3.333 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cncc(Br)c2)C1 ZINC000186590812 455801132 /nfs/dbraw/zinc/80/11/32/455801132.db2.gz RSSVTFPADOZPHU-CQSZACIVSA-N 2 1 340.309 3.446 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000269175735 455803878 /nfs/dbraw/zinc/80/38/78/455803878.db2.gz ILIUHMIGFBHVSE-UXHICEINSA-N 2 1 343.515 3.085 20 0 EGADMP COc1ccc(C(=O)CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000285283150 455816798 /nfs/dbraw/zinc/81/67/98/455816798.db2.gz AQNGGVDMEVFTPD-FXAWDEMLSA-N 2 1 342.483 3.217 20 0 EGADMP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278376452 455833733 /nfs/dbraw/zinc/83/37/33/455833733.db2.gz DWDSVMAGISSTHW-GHTZIAJQSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000278376452 455833737 /nfs/dbraw/zinc/83/37/37/455833737.db2.gz DWDSVMAGISSTHW-GHTZIAJQSA-N 2 1 341.543 3.361 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@]3(CCN(CC[NH+]4CCCCC4)C3)C2)cc1 ZINC000285480224 455854558 /nfs/dbraw/zinc/85/45/58/455854558.db2.gz IBTFXIIJODXWJS-OAQYLSRUSA-N 2 1 327.516 3.070 20 0 EGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](CCO[C@H]4CCCCO4)C3)C2)cc1 ZINC000285751097 455909286 /nfs/dbraw/zinc/90/92/86/455909286.db2.gz YUZGFWYIJMWGRL-SFTDATJTSA-N 2 1 344.499 3.128 20 0 EGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CCO[C@H]4CCCCO4)C3)C2)cc1 ZINC000285751097 455909290 /nfs/dbraw/zinc/90/92/90/455909290.db2.gz YUZGFWYIJMWGRL-SFTDATJTSA-N 2 1 344.499 3.128 20 0 EGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CCO[C@H]4CCCCO4)C3)C2)cc1 ZINC000285751097 455909296 /nfs/dbraw/zinc/90/92/96/455909296.db2.gz YUZGFWYIJMWGRL-SFTDATJTSA-N 2 1 344.499 3.128 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CCO[C@H]4CCCCO4)C3)C2)cc1 ZINC000285751097 455909301 /nfs/dbraw/zinc/90/93/01/455909301.db2.gz YUZGFWYIJMWGRL-SFTDATJTSA-N 2 1 344.499 3.128 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1OC(F)F ZINC000261600207 455910400 /nfs/dbraw/zinc/91/04/00/455910400.db2.gz AZXGMHXUSDCFTN-KKUMJFAQSA-N 2 1 340.414 3.246 20 0 EGADMP Cc1nc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000272378430 455930806 /nfs/dbraw/zinc/93/08/06/455930806.db2.gz BMOLYBYCHXWUQB-QAPCUYQASA-N 2 1 329.513 3.494 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1OC(F)F ZINC000261710797 455931960 /nfs/dbraw/zinc/93/19/60/455931960.db2.gz KXZSDTZYUSUINI-TZMCWYRMSA-N 2 1 328.403 3.246 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261737396 455937731 /nfs/dbraw/zinc/93/77/31/455937731.db2.gz OUOHXEOLWVFOIB-FQEVSTJZSA-N 2 1 326.488 3.341 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261737396 455937738 /nfs/dbraw/zinc/93/77/38/455937738.db2.gz OUOHXEOLWVFOIB-FQEVSTJZSA-N 2 1 326.488 3.341 20 0 EGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261749131 455941184 /nfs/dbraw/zinc/94/11/84/455941184.db2.gz PYCZPEGWVRLPSE-NRFANRHFSA-N 2 1 340.515 3.400 20 0 EGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261749131 455941191 /nfs/dbraw/zinc/94/11/91/455941191.db2.gz PYCZPEGWVRLPSE-NRFANRHFSA-N 2 1 340.515 3.400 20 0 EGADMP COc1cccc([C@H](C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)N(C)C)c1 ZINC000261753490 455941197 /nfs/dbraw/zinc/94/11/97/455941197.db2.gz UZGZVEGWHFKWRF-POAQFYNOSA-N 2 1 333.520 3.198 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC[C@H]3CC[NH2+]C3)cc2)C1 ZINC000261783508 455947868 /nfs/dbraw/zinc/94/78/68/455947868.db2.gz BKYQNIFURYIIRM-IRXDYDNUSA-N 2 1 329.488 3.247 20 0 EGADMP COc1nccc(CNCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000296589212 455981853 /nfs/dbraw/zinc/98/18/53/455981853.db2.gz XKACXNCYXSHMOH-INIZCTEOSA-N 2 1 340.471 3.149 20 0 EGADMP COc1nccc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000296589212 455981856 /nfs/dbraw/zinc/98/18/56/455981856.db2.gz XKACXNCYXSHMOH-INIZCTEOSA-N 2 1 340.471 3.149 20 0 EGADMP COc1nccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000296589212 455981860 /nfs/dbraw/zinc/98/18/60/455981860.db2.gz XKACXNCYXSHMOH-INIZCTEOSA-N 2 1 340.471 3.149 20 0 EGADMP CC(C)(CCCO)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272571088 455997618 /nfs/dbraw/zinc/99/76/18/455997618.db2.gz PBMYXTFLHJGBIP-SLFFLAALSA-N 2 1 330.516 3.285 20 0 EGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000188118639 456001416 /nfs/dbraw/zinc/00/14/16/456001416.db2.gz MXNGXGJUTZEKOU-ZFWWWQNUSA-N 2 1 337.305 3.454 20 0 EGADMP Cc1nccn1CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000272606650 456011847 /nfs/dbraw/zinc/01/18/47/456011847.db2.gz VJTPKHFJODDXBL-QHAWAJNXSA-N 2 1 338.499 3.082 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000272606650 456011852 /nfs/dbraw/zinc/01/18/52/456011852.db2.gz VJTPKHFJODDXBL-QHAWAJNXSA-N 3 1 338.499 3.082 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000272606650 456011856 /nfs/dbraw/zinc/01/18/56/456011856.db2.gz VJTPKHFJODDXBL-QHAWAJNXSA-N 3 1 338.499 3.082 20 0 EGADMP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)ccc1OC(F)F ZINC000270707296 456019298 /nfs/dbraw/zinc/01/92/98/456019298.db2.gz YZUNVMNVCBYXAB-UHFFFAOYSA-N 2 1 339.386 3.324 20 0 EGADMP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)ccc1OC(F)F ZINC000270707296 456019303 /nfs/dbraw/zinc/01/93/03/456019303.db2.gz YZUNVMNVCBYXAB-UHFFFAOYSA-N 2 1 339.386 3.324 20 0 EGADMP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272677535 456036307 /nfs/dbraw/zinc/03/63/07/456036307.db2.gz MFZKMMUCMDWRJZ-UYVXCEDXSA-N 2 1 348.556 3.034 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000262443135 456037255 /nfs/dbraw/zinc/03/72/55/456037255.db2.gz TVOXJTIRRINOCV-QKLQHJQFSA-N 2 1 343.515 3.065 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC000262492640 456041024 /nfs/dbraw/zinc/04/10/24/456041024.db2.gz ZRFZMJXREXVMJQ-BZSNNMDCSA-N 2 1 343.515 3.065 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000272717537 456051005 /nfs/dbraw/zinc/05/10/05/456051005.db2.gz DKXMXAWIEUIQTP-IEBWSBKVSA-N 2 1 342.508 3.482 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000272717533 456051143 /nfs/dbraw/zinc/05/11/43/456051143.db2.gz DKXMXAWIEUIQTP-HKUYNNGSSA-N 2 1 342.508 3.482 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCO[C@H]2CCOC2)CC1 ZINC000281035095 456116390 /nfs/dbraw/zinc/11/63/90/456116390.db2.gz PNMVOLYBBHTXFA-CBNMVNINSA-N 2 1 346.515 3.215 20 0 EGADMP Clc1ccc2[nH+]ccc(N3CCC(C[NH+]4CCOCC4)CC3)c2c1 ZINC000301503888 456131786 /nfs/dbraw/zinc/13/17/86/456131786.db2.gz GCIKYHMDUCFCIO-UHFFFAOYSA-N 2 1 345.874 3.437 20 0 EGADMP c1n[nH]cc1CC[NH2+][C@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000289866380 456160503 /nfs/dbraw/zinc/16/05/03/456160503.db2.gz RGCTYYXZSQJPLB-HBMCJLEFSA-N 2 1 338.499 3.233 20 0 EGADMP CC(C)(C)c1cnc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000333125577 456163378 /nfs/dbraw/zinc/16/33/78/456163378.db2.gz HFHIBKGDWMWHHZ-WMLDXEAASA-N 2 1 337.533 3.159 20 0 EGADMP CSc1cc2c(cc1C[N@@H+]1CC[C@@H]3[C@H](CCC[NH+]3C)C1)OCCO2 ZINC000271251104 456192450 /nfs/dbraw/zinc/19/24/50/456192450.db2.gz DPYXUDHQZQYZDY-GDBMZVCRSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[N@H+]1CC[C@@H]3[C@H](CCC[NH+]3C)C1)OCCO2 ZINC000271251104 456192455 /nfs/dbraw/zinc/19/24/55/456192455.db2.gz DPYXUDHQZQYZDY-GDBMZVCRSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[NH+]1CC[C@@H]3[C@H](CCC[N@@H+]3C)C1)OCCO2 ZINC000271251104 456192457 /nfs/dbraw/zinc/19/24/57/456192457.db2.gz DPYXUDHQZQYZDY-GDBMZVCRSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[NH+]1CC[C@@H]3[C@H](CCC[N@H+]3C)C1)OCCO2 ZINC000271251104 456192462 /nfs/dbraw/zinc/19/24/62/456192462.db2.gz DPYXUDHQZQYZDY-GDBMZVCRSA-N 2 1 348.512 3.096 20 0 EGADMP CC1(C)CN(C(=O)CCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000236911169 456199995 /nfs/dbraw/zinc/19/99/95/456199995.db2.gz FVLJULYQKYGJQF-UHFFFAOYSA-N 2 1 331.504 3.019 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000236956010 456208658 /nfs/dbraw/zinc/20/86/58/456208658.db2.gz GNXNTDYHSDRDKE-IBGZPJMESA-N 2 1 327.516 3.270 20 0 EGADMP CC(C)n1ncc2cc(C[N@H+](C)C3CC[NH+](C(C)C)CC3)cnc21 ZINC000263761607 456214825 /nfs/dbraw/zinc/21/48/25/456214825.db2.gz UWPOOUVPGROYTJ-UHFFFAOYSA-N 2 1 329.492 3.317 20 0 EGADMP CC(C)n1ncc2cc(C[N@@H+](C)C3CC[NH+](C(C)C)CC3)cnc21 ZINC000263761607 456214835 /nfs/dbraw/zinc/21/48/35/456214835.db2.gz UWPOOUVPGROYTJ-UHFFFAOYSA-N 2 1 329.492 3.317 20 0 EGADMP CCOC(=O)CCCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271312043 456216143 /nfs/dbraw/zinc/21/61/43/456216143.db2.gz IFIMVGILSARJJA-UHFFFAOYSA-N 2 1 347.503 3.353 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189144667 456239181 /nfs/dbraw/zinc/23/91/81/456239181.db2.gz RSALARFULRAUNS-OAHLLOKOSA-N 2 1 341.434 3.001 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189154385 456241499 /nfs/dbraw/zinc/24/14/99/456241499.db2.gz GCDAHWRRHKDJMY-NHCUHLMSSA-N 2 1 329.532 3.015 20 0 EGADMP COCCOCc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000290159970 456255455 /nfs/dbraw/zinc/25/54/55/456255455.db2.gz XJROALVBRMRJEN-OAQYLSRUSA-N 2 1 346.515 3.300 20 0 EGADMP COCCOCc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000290159970 456255462 /nfs/dbraw/zinc/25/54/62/456255462.db2.gz XJROALVBRMRJEN-OAQYLSRUSA-N 2 1 346.515 3.300 20 0 EGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(Cl)nc3)CC2)C[C@H](C)O1 ZINC000263893954 456258138 /nfs/dbraw/zinc/25/81/38/456258138.db2.gz GYQDGLTZEPLVGS-GJZGRUSLSA-N 2 1 337.895 3.056 20 0 EGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000297635440 456268526 /nfs/dbraw/zinc/26/85/26/456268526.db2.gz IARFDLUHJFMROS-QGZVFWFLSA-N 2 1 343.515 3.446 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000290279633 456279825 /nfs/dbraw/zinc/27/98/25/456279825.db2.gz XBDNUHGLRQDTNX-LSWWBPAMSA-N 2 1 329.488 3.137 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000290279633 456279829 /nfs/dbraw/zinc/27/98/29/456279829.db2.gz XBDNUHGLRQDTNX-LSWWBPAMSA-N 2 1 329.488 3.137 20 0 EGADMP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352763811 456284608 /nfs/dbraw/zinc/28/46/08/456284608.db2.gz HNYRXQOCZOQORB-UHFFFAOYSA-N 3 1 338.565 3.052 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2cccc3cccnc32)s1 ZINC000352765624 456287049 /nfs/dbraw/zinc/28/70/49/456287049.db2.gz QBPJKCIFCBMMHG-UHFFFAOYSA-N 2 1 326.469 3.085 20 0 EGADMP C[N@H+]1CC[C@@H](NC2CC[NH+](CC3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340190868 456302688 /nfs/dbraw/zinc/30/26/88/456302688.db2.gz IVLSKAJOSAJTHK-RTWAWAEBSA-N 2 1 327.516 3.286 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CCn2cnc3ccccc32)C[C@H]1c1ccccc1 ZINC000340194373 456305970 /nfs/dbraw/zinc/30/59/70/456305970.db2.gz HWUOCLLVRZUTDZ-RXVVDRJESA-N 2 1 334.467 3.461 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CCn2cnc3ccccc32)C[C@H]1c1ccccc1 ZINC000340194373 456305974 /nfs/dbraw/zinc/30/59/74/456305974.db2.gz HWUOCLLVRZUTDZ-RXVVDRJESA-N 2 1 334.467 3.461 20 0 EGADMP CCn1nc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000290375659 456308822 /nfs/dbraw/zinc/30/88/22/456308822.db2.gz HUHZNFUTXZTNKT-KRWDZBQOSA-N 2 1 326.488 3.220 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@@H]4CCCOC4)CC[C@H]32)cc1 ZINC000342924132 456317101 /nfs/dbraw/zinc/31/71/01/456317101.db2.gz CVFWBXNFRGIYGP-PWRODBHTSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CCCOC4)CC[C@H]32)cc1 ZINC000342924132 456317105 /nfs/dbraw/zinc/31/71/05/456317105.db2.gz CVFWBXNFRGIYGP-PWRODBHTSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CCCOC4)CC[C@H]32)cc1 ZINC000342924132 456317108 /nfs/dbraw/zinc/31/71/08/456317108.db2.gz CVFWBXNFRGIYGP-PWRODBHTSA-N 2 1 328.500 3.400 20 0 EGADMP CCOc1c(OC)cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000290440410 456328786 /nfs/dbraw/zinc/32/87/86/456328786.db2.gz LUNKICPWPNOSJA-IAGOWNOFSA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000290440410 456328789 /nfs/dbraw/zinc/32/87/89/456328789.db2.gz LUNKICPWPNOSJA-IAGOWNOFSA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1OC ZINC000290440410 456328793 /nfs/dbraw/zinc/32/87/93/456328793.db2.gz LUNKICPWPNOSJA-IAGOWNOFSA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1OC ZINC000290440410 456328797 /nfs/dbraw/zinc/32/87/97/456328797.db2.gz LUNKICPWPNOSJA-IAGOWNOFSA-N 2 1 348.487 3.019 20 0 EGADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352823805 456340284 /nfs/dbraw/zinc/34/02/84/456340284.db2.gz LKRZBTJFZIYMNK-OAQYLSRUSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)C(C)(C)CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352823805 456340293 /nfs/dbraw/zinc/34/02/93/456340293.db2.gz LKRZBTJFZIYMNK-OAQYLSRUSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)C(C)(C)CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352823805 456340302 /nfs/dbraw/zinc/34/03/02/456340302.db2.gz LKRZBTJFZIYMNK-OAQYLSRUSA-N 2 1 344.499 3.174 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CCC[NH+]2CCCC2)cc1)C(C)C ZINC000281873586 456346783 /nfs/dbraw/zinc/34/67/83/456346783.db2.gz ZQADDMCXLJGBEN-UHFFFAOYSA-N 2 1 345.531 3.475 20 0 EGADMP CC1CC[NH+](CCN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000352834882 456350067 /nfs/dbraw/zinc/35/00/67/456350067.db2.gz XPQDICOVZWXSPA-QFIPXVFZSA-N 2 1 341.543 3.316 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000347810605 456380912 /nfs/dbraw/zinc/38/09/12/456380912.db2.gz BARDOJIFTIZVAO-QUCCMNQESA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccncc1F ZINC000340350658 456407746 /nfs/dbraw/zinc/40/77/46/456407746.db2.gz QHVKMYDEKRMHGR-MAUKXSAKSA-N 2 1 343.446 3.028 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccncc1F ZINC000340350658 456407749 /nfs/dbraw/zinc/40/77/49/456407749.db2.gz QHVKMYDEKRMHGR-MAUKXSAKSA-N 2 1 343.446 3.028 20 0 EGADMP COc1cc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cc(OC)c1O ZINC000298301399 456420049 /nfs/dbraw/zinc/42/00/49/456420049.db2.gz KPXBUMXCXBOCPD-UHFFFAOYSA-N 2 1 336.476 3.154 20 0 EGADMP COc1cc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cc(OC)c1O ZINC000298301399 456420055 /nfs/dbraw/zinc/42/00/55/456420055.db2.gz KPXBUMXCXBOCPD-UHFFFAOYSA-N 2 1 336.476 3.154 20 0 EGADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)s1 ZINC000282139733 456423183 /nfs/dbraw/zinc/42/31/83/456423183.db2.gz CAFUPFFBIGMJBP-CYBMUJFWSA-N 2 1 329.941 3.468 20 0 EGADMP C[N@H+]1CC[C@H](NC2CC([NH+]3CCCCC3)C2)C[C@@H]1c1ccccc1 ZINC000340375775 456423489 /nfs/dbraw/zinc/42/34/89/456423489.db2.gz VCDCETLULIVDLA-GKYDQMIMSA-N 2 1 327.516 3.428 20 0 EGADMP CCn1cc(CC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000276340162 456449976 /nfs/dbraw/zinc/44/99/76/456449976.db2.gz TXKARXFMUKKSIQ-RXVVDRJESA-N 2 1 340.515 3.430 20 0 EGADMP CCn1cc(CC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000276340162 456449986 /nfs/dbraw/zinc/44/99/86/456449986.db2.gz TXKARXFMUKKSIQ-RXVVDRJESA-N 2 1 340.515 3.430 20 0 EGADMP CCn1cc(CC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000276340162 456449990 /nfs/dbraw/zinc/44/99/90/456449990.db2.gz TXKARXFMUKKSIQ-RXVVDRJESA-N 2 1 340.515 3.430 20 0 EGADMP CCn1cc(CC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000276340162 456450000 /nfs/dbraw/zinc/45/00/00/456450000.db2.gz TXKARXFMUKKSIQ-RXVVDRJESA-N 2 1 340.515 3.430 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]Cc2c(Cl)oc3ccccc32)CC1(C)C ZINC000282264536 456459838 /nfs/dbraw/zinc/45/98/38/456459838.db2.gz HHRGMQYADWAKBL-UHFFFAOYSA-N 2 1 335.879 3.202 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(OCC)CCCC2)[C@@H](C)C1 ZINC000340466189 456476357 /nfs/dbraw/zinc/47/63/57/456476357.db2.gz PTRXKWDERUTZSU-ZWKOTPCHSA-N 2 1 326.525 3.062 20 0 EGADMP C[C@H](CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[N@@H+](C)Cc1ccccc1 ZINC000340514091 456502220 /nfs/dbraw/zinc/50/22/20/456502220.db2.gz GRUXTGRPSZKFPS-GSEOLPGOSA-N 2 1 328.500 3.444 20 0 EGADMP Brc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC000282425999 456510005 /nfs/dbraw/zinc/51/00/05/456510005.db2.gz MBFCVMCROCCFOT-MLGOLLRUSA-N 2 1 346.272 3.485 20 0 EGADMP CC(C)N1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1=O ZINC000340524127 456510677 /nfs/dbraw/zinc/51/06/77/456510677.db2.gz FWILLZYPIZZGPG-IOJLRTSASA-N 2 1 343.515 3.029 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c1 ZINC000648820139 462292693 /nfs/dbraw/zinc/29/26/93/462292693.db2.gz WAFWXDLQBBQBKP-YLJYHZDGSA-N 2 1 345.531 3.265 20 0 EGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000648820139 462292697 /nfs/dbraw/zinc/29/26/97/462292697.db2.gz WAFWXDLQBBQBKP-YLJYHZDGSA-N 2 1 345.531 3.265 20 0 EGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000648820139 462292699 /nfs/dbraw/zinc/29/26/99/462292699.db2.gz WAFWXDLQBBQBKP-YLJYHZDGSA-N 2 1 345.531 3.265 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000282582388 456560319 /nfs/dbraw/zinc/56/03/19/456560319.db2.gz ZTFWUQOYMBVBCY-NSISKUIASA-N 2 1 334.479 3.261 20 0 EGADMP COc1ccccc1O[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000353254355 456589066 /nfs/dbraw/zinc/58/90/66/456589066.db2.gz AQPAZHAHKZPVTI-SFHVURJKSA-N 2 1 332.488 3.414 20 0 EGADMP COc1ccccc1O[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000353254355 456589071 /nfs/dbraw/zinc/58/90/71/456589071.db2.gz AQPAZHAHKZPVTI-SFHVURJKSA-N 2 1 332.488 3.414 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC34CCCC4)cc2)CC1 ZINC000353265760 456598010 /nfs/dbraw/zinc/59/80/10/456598010.db2.gz AZRASIDOAOAICO-HXUWFJFHSA-N 2 1 327.516 3.246 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)oc1C ZINC000282790098 456626655 /nfs/dbraw/zinc/62/66/55/456626655.db2.gz QCVYXKIBGUKTSN-DNVCBOLYSA-N 2 1 328.456 3.314 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)oc1C ZINC000282790098 456626658 /nfs/dbraw/zinc/62/66/58/456626658.db2.gz QCVYXKIBGUKTSN-DNVCBOLYSA-N 2 1 328.456 3.314 20 0 EGADMP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1cccc(Cl)c1 ZINC000321456638 456639294 /nfs/dbraw/zinc/63/92/94/456639294.db2.gz YCVQERGQHBLVIQ-SJORKVTESA-N 2 1 335.879 3.275 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1cccc(Cl)c1 ZINC000321456638 456639301 /nfs/dbraw/zinc/63/93/01/456639301.db2.gz YCVQERGQHBLVIQ-SJORKVTESA-N 2 1 335.879 3.275 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000282891127 456657045 /nfs/dbraw/zinc/65/70/45/456657045.db2.gz XXBJFHUCFOWSSU-QGZVFWFLSA-N 2 1 326.488 3.169 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000282891127 456657051 /nfs/dbraw/zinc/65/70/51/456657051.db2.gz XXBJFHUCFOWSSU-QGZVFWFLSA-N 2 1 326.488 3.169 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000282891127 456657055 /nfs/dbraw/zinc/65/70/55/456657055.db2.gz XXBJFHUCFOWSSU-QGZVFWFLSA-N 2 1 326.488 3.169 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000343559407 456705827 /nfs/dbraw/zinc/70/58/27/456705827.db2.gz DCCXOFZVRGGJBC-PXNSSMCTSA-N 2 1 330.472 3.373 20 0 EGADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCCCO)CC1 ZINC000299565925 456730473 /nfs/dbraw/zinc/73/04/73/456730473.db2.gz GZFZFROJTFQHMR-UHFFFAOYSA-N 2 1 344.421 3.374 20 0 EGADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCCCO)CC1 ZINC000299565925 456730480 /nfs/dbraw/zinc/73/04/80/456730480.db2.gz GZFZFROJTFQHMR-UHFFFAOYSA-N 2 1 344.421 3.374 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1O ZINC000277242925 456740104 /nfs/dbraw/zinc/74/01/04/456740104.db2.gz OPSGQQAEXHMLTO-HNNXBMFYSA-N 2 1 331.460 3.297 20 0 EGADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2ccccc2)C2CCCCC2)CC1 ZINC000338280209 456745973 /nfs/dbraw/zinc/74/59/73/456745973.db2.gz LGGGUDBWXRTSMO-OAQYLSRUSA-N 2 1 343.515 3.062 20 0 EGADMP CCOc1ccc([C@@H](O)C2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000291795286 456759830 /nfs/dbraw/zinc/75/98/30/456759830.db2.gz MVQKIEMPGNVWJE-PZJWPPBQSA-N 2 1 346.515 3.315 20 0 EGADMP CC(C)N(C(=O)[C@H](C)N(C)CCC[N@@H+](C)Cc1ccco1)C(C)C ZINC000353571897 456771295 /nfs/dbraw/zinc/77/12/95/456771295.db2.gz IYVFWTRBEOQDKH-KRWDZBQOSA-N 2 1 337.508 3.067 20 0 EGADMP CC(C)N(C(=O)[C@H](C)[N@H+](C)CCCN(C)Cc1ccco1)C(C)C ZINC000353571897 456771303 /nfs/dbraw/zinc/77/13/03/456771303.db2.gz IYVFWTRBEOQDKH-KRWDZBQOSA-N 2 1 337.508 3.067 20 0 EGADMP CC(C)N(C(=O)[C@H](C)[N@@H+](C)CCCN(C)Cc1ccco1)C(C)C ZINC000353571897 456771311 /nfs/dbraw/zinc/77/13/11/456771311.db2.gz IYVFWTRBEOQDKH-KRWDZBQOSA-N 2 1 337.508 3.067 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000353574309 456774448 /nfs/dbraw/zinc/77/44/48/456774448.db2.gz XBDNUHGLRQDTNX-SHPPYHEDSA-N 2 1 329.488 3.137 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000353574309 456774451 /nfs/dbraw/zinc/77/44/51/456774451.db2.gz XBDNUHGLRQDTNX-SHPPYHEDSA-N 2 1 329.488 3.137 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000277315922 456775365 /nfs/dbraw/zinc/77/53/65/456775365.db2.gz UWWDGSJMTABFHK-KRWDZBQOSA-N 2 1 328.460 3.085 20 0 EGADMP Cc1nccn1CCC[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000348756634 456842934 /nfs/dbraw/zinc/84/29/34/456842934.db2.gz PQYGDXDRTFKCHP-SFTDATJTSA-N 2 1 340.515 3.254 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000348756634 456842938 /nfs/dbraw/zinc/84/29/38/456842938.db2.gz PQYGDXDRTFKCHP-SFTDATJTSA-N 3 1 340.515 3.254 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000348756634 456842943 /nfs/dbraw/zinc/84/29/43/456842943.db2.gz PQYGDXDRTFKCHP-SFTDATJTSA-N 3 1 340.515 3.254 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1C ZINC000338948979 456869188 /nfs/dbraw/zinc/86/91/88/456869188.db2.gz PYYMBHQMJYAPTG-GDBMZVCRSA-N 2 1 332.517 3.453 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1C ZINC000338948979 456869192 /nfs/dbraw/zinc/86/91/92/456869192.db2.gz PYYMBHQMJYAPTG-GDBMZVCRSA-N 2 1 332.517 3.453 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1C ZINC000338948979 456869194 /nfs/dbraw/zinc/86/91/94/456869194.db2.gz PYYMBHQMJYAPTG-GDBMZVCRSA-N 2 1 332.517 3.453 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1C ZINC000338948979 456869200 /nfs/dbraw/zinc/86/92/00/456869200.db2.gz PYYMBHQMJYAPTG-GDBMZVCRSA-N 2 1 332.517 3.453 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnc4ccc(Cl)cn34)C2)CC1 ZINC000349191993 456909170 /nfs/dbraw/zinc/90/91/70/456909170.db2.gz OQCDXEYVUMGXMK-OAHLLOKOSA-N 2 1 332.879 3.151 20 0 EGADMP CCc1nc(C(C)C)ccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000339045552 456914201 /nfs/dbraw/zinc/91/42/01/456914201.db2.gz UXEDCOZMXBYEDN-DUXKGJEZSA-N 2 1 345.531 3.451 20 0 EGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000339045552 456914205 /nfs/dbraw/zinc/91/42/05/456914205.db2.gz UXEDCOZMXBYEDN-DUXKGJEZSA-N 2 1 345.531 3.451 20 0 EGADMP Brc1c[nH+]ccc1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000341746785 456925442 /nfs/dbraw/zinc/92/54/42/456925442.db2.gz ZSKFEABCAHHKOH-UHFFFAOYSA-N 2 1 346.272 3.126 20 0 EGADMP Brc1c[nH+]ccc1NCCC[N@H+]1CCc2ccccc2C1 ZINC000341746785 456925445 /nfs/dbraw/zinc/92/54/45/456925445.db2.gz ZSKFEABCAHHKOH-UHFFFAOYSA-N 2 1 346.272 3.126 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)CC(C)C ZINC000353845538 456932779 /nfs/dbraw/zinc/93/27/79/456932779.db2.gz OJUAKALPOLJABR-OALUTQOASA-N 2 1 333.520 3.162 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C)cc1-c1ccnn1C ZINC000349406896 456963573 /nfs/dbraw/zinc/96/35/73/456963573.db2.gz MJXBMYFPDFCMCJ-UHFFFAOYSA-N 2 1 337.471 3.423 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C)cc1-c1ccnn1C ZINC000349406896 456963575 /nfs/dbraw/zinc/96/35/75/456963575.db2.gz MJXBMYFPDFCMCJ-UHFFFAOYSA-N 2 1 337.471 3.423 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CCCCC1 ZINC000353935308 456971656 /nfs/dbraw/zinc/97/16/56/456971656.db2.gz VXNCNRAIJYUNOV-KRWDZBQOSA-N 2 1 343.515 3.133 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)CC(C)C ZINC000345679568 456988085 /nfs/dbraw/zinc/98/80/85/456988085.db2.gz CUMYWDZMICVKQY-PMACEKPBSA-N 2 1 345.531 3.134 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)CC(C)C ZINC000345679568 456988090 /nfs/dbraw/zinc/98/80/90/456988090.db2.gz CUMYWDZMICVKQY-PMACEKPBSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCC(C)(C)C)CC2)C[C@H](C)O1 ZINC000341910062 456996353 /nfs/dbraw/zinc/99/63/53/456996353.db2.gz QOLOSKNFYQZEBT-IRXDYDNUSA-N 2 1 326.525 3.013 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358867574 457013164 /nfs/dbraw/zinc/01/31/64/457013164.db2.gz XSZQVKYRCXPHIC-OTWHNJEPSA-N 2 1 346.515 3.338 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358867574 457013168 /nfs/dbraw/zinc/01/31/68/457013168.db2.gz XSZQVKYRCXPHIC-OTWHNJEPSA-N 2 1 346.515 3.338 20 0 EGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000354078496 457046891 /nfs/dbraw/zinc/04/68/91/457046891.db2.gz SROPZVUEKQDKKM-OAHLLOKOSA-N 2 1 330.501 3.302 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000354078496 457046896 /nfs/dbraw/zinc/04/68/96/457046896.db2.gz SROPZVUEKQDKKM-OAHLLOKOSA-N 2 1 330.501 3.302 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000354078496 457046902 /nfs/dbraw/zinc/04/69/02/457046902.db2.gz SROPZVUEKQDKKM-OAHLLOKOSA-N 2 1 330.501 3.302 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000354078496 457046906 /nfs/dbraw/zinc/04/69/06/457046906.db2.gz SROPZVUEKQDKKM-OAHLLOKOSA-N 2 1 330.501 3.302 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000354078656 457047392 /nfs/dbraw/zinc/04/73/92/457047392.db2.gz VXBYGYIDLCGCGX-HNNXBMFYSA-N 2 1 328.859 3.412 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000354078656 457047397 /nfs/dbraw/zinc/04/73/97/457047397.db2.gz VXBYGYIDLCGCGX-HNNXBMFYSA-N 2 1 328.859 3.412 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000354097954 457060212 /nfs/dbraw/zinc/06/02/12/457060212.db2.gz UAKBSXTZJHYARX-OAHLLOKOSA-N 2 1 328.859 3.412 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000354097954 457060215 /nfs/dbraw/zinc/06/02/15/457060215.db2.gz UAKBSXTZJHYARX-OAHLLOKOSA-N 2 1 328.859 3.412 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@H]21 ZINC000342091365 457103757 /nfs/dbraw/zinc/10/37/57/457103757.db2.gz UKFYYBAVBJJVKQ-WLRLJWMZSA-N 2 1 349.478 3.426 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@H]21 ZINC000342091365 457103761 /nfs/dbraw/zinc/10/37/61/457103761.db2.gz UKFYYBAVBJJVKQ-WLRLJWMZSA-N 2 1 349.478 3.426 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@H]21 ZINC000342141403 457132390 /nfs/dbraw/zinc/13/23/90/457132390.db2.gz POYXPOHXZPTPPZ-DUXKGJEZSA-N 2 1 337.467 3.220 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346825172 457178811 /nfs/dbraw/zinc/17/88/11/457178811.db2.gz ATYFEWGYCMFJSX-VHSSKADRSA-N 2 1 330.863 3.003 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2CCC2CCCC2)CC1 ZINC000362967001 457179538 /nfs/dbraw/zinc/17/95/38/457179538.db2.gz ODBUCRMINXEJIA-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000356810257 457179835 /nfs/dbraw/zinc/17/98/35/457179835.db2.gz KYRVQCDRFSBEBN-IAGOWNOFSA-N 2 1 333.520 3.180 20 0 EGADMP C[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000356878255 457193909 /nfs/dbraw/zinc/19/39/09/457193909.db2.gz SRCJSRODKJJBDP-GJZGRUSLSA-N 2 1 335.458 3.256 20 0 EGADMP C[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[N@H+]1CCCC[C@@H]1C ZINC000356878255 457193914 /nfs/dbraw/zinc/19/39/14/457193914.db2.gz SRCJSRODKJJBDP-GJZGRUSLSA-N 2 1 335.458 3.256 20 0 EGADMP C[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC000356886056 457198908 /nfs/dbraw/zinc/19/89/08/457198908.db2.gz XKOXYMAKIQHAJJ-OAHLLOKOSA-N 2 1 335.458 3.113 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@]3(C)CCCO3)CC2)oc1C ZINC000331579980 457211263 /nfs/dbraw/zinc/21/12/63/457211263.db2.gz RZXOHOLZRQBAAW-VQIMIIECSA-N 2 1 335.492 3.051 20 0 EGADMP CC[C@@H]1C[C@H](C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000356989066 457261360 /nfs/dbraw/zinc/26/13/60/457261360.db2.gz KVMSIRIFWUBLBK-PIKOESSRSA-N 2 1 338.536 3.013 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000360155437 457279409 /nfs/dbraw/zinc/27/94/09/457279409.db2.gz ZHKYDUQUGNPVSB-HNAYVOBHSA-N 2 1 329.488 3.245 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000360155437 457279414 /nfs/dbraw/zinc/27/94/14/457279414.db2.gz ZHKYDUQUGNPVSB-HNAYVOBHSA-N 2 1 329.488 3.245 20 0 EGADMP COc1cc(C)[nH+]c(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000339821074 457292037 /nfs/dbraw/zinc/29/20/37/457292037.db2.gz YAHVRRUEHPXEOK-ZWKOTPCHSA-N 2 1 331.504 3.485 20 0 EGADMP COc1cc(C)[nH+]c(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000339821074 457292041 /nfs/dbraw/zinc/29/20/41/457292041.db2.gz YAHVRRUEHPXEOK-ZWKOTPCHSA-N 2 1 331.504 3.485 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC1)CC1CC1 ZINC000357071839 457307898 /nfs/dbraw/zinc/30/78/98/457307898.db2.gz BVTANWJGTVMERF-INIZCTEOSA-N 2 1 337.552 3.124 20 0 EGADMP [NH3+]CCOCC[N@@H+]1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000357077291 457309996 /nfs/dbraw/zinc/30/99/96/457309996.db2.gz AOEQHRHMAQUUPP-IBGZPJMESA-N 2 1 330.859 3.415 20 0 EGADMP [NH3+]CCOCC[N@H+]1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000357077291 457310005 /nfs/dbraw/zinc/31/00/05/457310005.db2.gz AOEQHRHMAQUUPP-IBGZPJMESA-N 2 1 330.859 3.415 20 0 EGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000357083973 457313198 /nfs/dbraw/zinc/31/31/98/457313198.db2.gz JBCKLKCJOXJVDT-HNNXBMFYSA-N 2 1 333.501 3.395 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000351848111 457320324 /nfs/dbraw/zinc/32/03/24/457320324.db2.gz CAGAHSOVGDEBOO-OLPIVMHESA-N 2 1 339.483 3.075 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000351848111 457320328 /nfs/dbraw/zinc/32/03/28/457320328.db2.gz CAGAHSOVGDEBOO-OLPIVMHESA-N 2 1 339.483 3.075 20 0 EGADMP CCOC(=O)CCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352433912 457364477 /nfs/dbraw/zinc/36/44/77/457364477.db2.gz ZBGIJOIKKCWWMK-PMACEKPBSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)CCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352433912 457364480 /nfs/dbraw/zinc/36/44/80/457364480.db2.gz ZBGIJOIKKCWWMK-PMACEKPBSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)CCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352433912 457364483 /nfs/dbraw/zinc/36/44/83/457364483.db2.gz ZBGIJOIKKCWWMK-PMACEKPBSA-N 2 1 344.499 3.174 20 0 EGADMP CSc1ccc(NC(=O)C[N@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000352476414 457397031 /nfs/dbraw/zinc/39/70/31/457397031.db2.gz IARHALBWDGKCES-UHFFFAOYSA-N 2 1 335.517 3.188 20 0 EGADMP CSc1ccc(NC(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000352476414 457397033 /nfs/dbraw/zinc/39/70/33/457397033.db2.gz IARHALBWDGKCES-UHFFFAOYSA-N 2 1 335.517 3.188 20 0 EGADMP COc1cccc2c(NC[C@@]3([NH+](C)C)CCSC3)cc(C)[nH+]c12 ZINC000360883520 457405189 /nfs/dbraw/zinc/40/51/89/457405189.db2.gz KSVMAWDYZMUCFP-SFHVURJKSA-N 2 1 331.485 3.401 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCc2ccsc2)CC1 ZINC000360901227 457421966 /nfs/dbraw/zinc/42/19/66/457421966.db2.gz HMVMKWYQXYLTRB-HDICACEKSA-N 2 1 335.561 3.171 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000342732730 457484809 /nfs/dbraw/zinc/48/48/09/457484809.db2.gz LTUYIXLLVKIWCP-SLFFLAALSA-N 2 1 343.515 3.118 20 0 EGADMP CC1(C)CN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000347540533 457494932 /nfs/dbraw/zinc/49/49/32/457494932.db2.gz UMRMLIRSPZBJSL-UHFFFAOYSA-N 2 1 349.478 3.026 20 0 EGADMP CC1(C)CN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000347540533 457494938 /nfs/dbraw/zinc/49/49/38/457494938.db2.gz UMRMLIRSPZBJSL-UHFFFAOYSA-N 2 1 349.478 3.026 20 0 EGADMP Cc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000399751867 457510710 /nfs/dbraw/zinc/51/07/10/457510710.db2.gz ARAJWDZGRGLAKZ-ILWGZMRPSA-N 2 1 335.495 3.433 20 0 EGADMP Cc1cncc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000402704460 457533350 /nfs/dbraw/zinc/53/33/50/457533350.db2.gz PNXJWQCZWGBXFQ-HXUWFJFHSA-N 2 1 338.499 3.218 20 0 EGADMP Cc1cncc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000402704460 457533355 /nfs/dbraw/zinc/53/33/55/457533355.db2.gz PNXJWQCZWGBXFQ-HXUWFJFHSA-N 2 1 338.499 3.218 20 0 EGADMP CO[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)C1CC1 ZINC000425409158 457540569 /nfs/dbraw/zinc/54/05/69/457540569.db2.gz ABNFKUXODNSRIZ-QHAWAJNXSA-N 2 1 328.500 3.398 20 0 EGADMP COc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c(Cl)c1OC ZINC000404410272 457543171 /nfs/dbraw/zinc/54/31/71/457543171.db2.gz BZDMEGWEYXWCPN-GXTWGEPZSA-N 2 1 326.868 3.307 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c(Cl)c1OC ZINC000404410272 457543181 /nfs/dbraw/zinc/54/31/81/457543181.db2.gz BZDMEGWEYXWCPN-GXTWGEPZSA-N 2 1 326.868 3.307 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000357611006 457621126 /nfs/dbraw/zinc/62/11/26/457621126.db2.gz UONURZUDWUHOCX-IEBWSBKVSA-N 2 1 348.535 3.097 20 0 EGADMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cn1 ZINC000370672926 457697247 /nfs/dbraw/zinc/69/72/47/457697247.db2.gz IUNQTZPHOXFCBA-KXBFYZLASA-N 2 1 344.503 3.173 20 0 EGADMP CCn1ccnc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000370678544 457699138 /nfs/dbraw/zinc/69/91/38/457699138.db2.gz XOQZMNVQBIYIQY-UHFFFAOYSA-N 2 1 338.499 3.391 20 0 EGADMP CCn1ccnc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000370678544 457699142 /nfs/dbraw/zinc/69/91/42/457699142.db2.gz XOQZMNVQBIYIQY-UHFFFAOYSA-N 2 1 338.499 3.391 20 0 EGADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370712380 457704561 /nfs/dbraw/zinc/70/45/61/457704561.db2.gz UYMSEHXIRDKXNZ-OXQOHEQNSA-N 2 1 341.499 3.199 20 0 EGADMP CN(Cc1sccc1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374807235 457710999 /nfs/dbraw/zinc/71/09/99/457710999.db2.gz AWTPBFJZDDHJRM-CQSZACIVSA-N 2 1 327.925 3.002 20 0 EGADMP C[C@@]1(CO)CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000361432813 457730380 /nfs/dbraw/zinc/73/03/80/457730380.db2.gz VFBWGMXFSOGJLQ-VKQJQLINSA-N 2 1 328.500 3.323 20 0 EGADMP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO[C@@H]1C1CC1 ZINC000375118992 457799467 /nfs/dbraw/zinc/79/94/67/457799467.db2.gz BEVSLBKBAMZMFP-NHCUHLMSSA-N 2 1 328.500 3.446 20 0 EGADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000433344758 457816643 /nfs/dbraw/zinc/81/66/43/457816643.db2.gz UEWLPMLZGGYKRF-HXUWFJFHSA-N 2 1 345.531 3.402 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000361765346 457846077 /nfs/dbraw/zinc/84/60/77/457846077.db2.gz OTABHYACLHQTMH-RYRKJORJSA-N 2 1 342.487 3.132 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000361765346 457846081 /nfs/dbraw/zinc/84/60/81/457846081.db2.gz OTABHYACLHQTMH-RYRKJORJSA-N 2 1 342.487 3.132 20 0 EGADMP O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411303683 457855088 /nfs/dbraw/zinc/85/50/88/457855088.db2.gz AXVRDBORUOQDIG-KRWDZBQOSA-N 2 1 342.405 3.172 20 0 EGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411330586 457859199 /nfs/dbraw/zinc/85/91/99/457859199.db2.gz LZOHDVVHCJSVPS-OAQYLSRUSA-N 2 1 329.532 3.446 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411330586 457859207 /nfs/dbraw/zinc/85/92/07/457859207.db2.gz LZOHDVVHCJSVPS-OAQYLSRUSA-N 3 1 329.532 3.446 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411330586 457859214 /nfs/dbraw/zinc/85/92/14/457859214.db2.gz LZOHDVVHCJSVPS-OAQYLSRUSA-N 3 1 329.532 3.446 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411330586 457859220 /nfs/dbraw/zinc/85/92/20/457859220.db2.gz LZOHDVVHCJSVPS-OAQYLSRUSA-N 3 1 329.532 3.446 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411330586 457859225 /nfs/dbraw/zinc/85/92/25/457859225.db2.gz LZOHDVVHCJSVPS-OAQYLSRUSA-N 3 1 329.532 3.446 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC000361791514 457862163 /nfs/dbraw/zinc/86/21/63/457862163.db2.gz ZTOJQFDHJUIDSU-ROUUACIJSA-N 2 1 340.556 3.010 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccc3c[nH+]cn3c2)cc1)C1CC1 ZINC000457977806 457889294 /nfs/dbraw/zinc/88/92/94/457889294.db2.gz QPTNGZWDRKUCLJ-UHFFFAOYSA-N 2 1 348.450 3.249 20 0 EGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000358267977 457900662 /nfs/dbraw/zinc/90/06/62/457900662.db2.gz QZXFZMIXVVSTDX-QZTJIDSGSA-N 2 1 343.515 3.133 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC000411620220 457930038 /nfs/dbraw/zinc/93/00/38/457930038.db2.gz LXUXDAWSOXXIME-FXAWDEMLSA-N 2 1 344.499 3.304 20 0 EGADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000361888507 457931999 /nfs/dbraw/zinc/93/19/99/457931999.db2.gz JXTQPMQUOUQSIR-MJGOQNOKSA-N 2 1 330.497 3.426 20 0 EGADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000361888507 457932004 /nfs/dbraw/zinc/93/20/04/457932004.db2.gz JXTQPMQUOUQSIR-MJGOQNOKSA-N 2 1 330.497 3.426 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC000434055877 457938983 /nfs/dbraw/zinc/93/89/83/457938983.db2.gz AQTWOIBMXDYUKA-WOJBJXKFSA-N 2 1 343.515 3.203 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc2c1OC(C)(C)C2 ZINC000371470499 457949288 /nfs/dbraw/zinc/94/92/88/457949288.db2.gz LXHZNCCKXBJRBC-GUDVDZBRSA-N 2 1 344.499 3.084 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc2c1OC(C)(C)C2 ZINC000371470499 457949292 /nfs/dbraw/zinc/94/92/92/457949292.db2.gz LXHZNCCKXBJRBC-GUDVDZBRSA-N 2 1 344.499 3.084 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)[C@@H](C)C1 ZINC000358395805 457977738 /nfs/dbraw/zinc/97/77/38/457977738.db2.gz INQJMYWCDGNCAF-LWYYNNOASA-N 2 1 340.552 3.164 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@H]1CCCN(Cc2cncc(F)c2)CC1 ZINC000434645206 458027836 /nfs/dbraw/zinc/02/78/36/458027836.db2.gz YJFFGDXKQJCMBK-IBGZPJMESA-N 2 1 328.435 3.102 20 0 EGADMP C[C@H]1C[N@@H+](CCCc2ccccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371697417 458038367 /nfs/dbraw/zinc/03/83/67/458038367.db2.gz WAZNDKABMCIXIL-FXAWDEMLSA-N 2 1 349.950 3.230 20 0 EGADMP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428045938 458071156 /nfs/dbraw/zinc/07/11/56/458071156.db2.gz SEOSADKMXCCXSP-QUCCMNQESA-N 2 1 335.451 3.123 20 0 EGADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428045938 458071164 /nfs/dbraw/zinc/07/11/64/458071164.db2.gz SEOSADKMXCCXSP-QUCCMNQESA-N 2 1 335.451 3.123 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+][C@](C)(Cc1ccccc1)c1ccccc1)C1CC1 ZINC000412112493 458095301 /nfs/dbraw/zinc/09/53/01/458095301.db2.gz VRBWSWRNKOOILL-FGZHOGPDSA-N 2 1 338.495 3.189 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+][C@](C)(Cc1ccccc1)c1ccccc1)C1CC1 ZINC000412112493 458095309 /nfs/dbraw/zinc/09/53/09/458095309.db2.gz VRBWSWRNKOOILL-FGZHOGPDSA-N 2 1 338.495 3.189 20 0 EGADMP c1[nH+]cn2c1C[C@@H](c1nc(-c3cccc(C[NH+]4CCCC4)c3)no1)CC2 ZINC000371902790 458115249 /nfs/dbraw/zinc/11/52/49/458115249.db2.gz ASAQEJWPHRMOJK-KRWDZBQOSA-N 2 1 349.438 3.259 20 0 EGADMP Cc1cnc([C@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000428304716 458118301 /nfs/dbraw/zinc/11/83/01/458118301.db2.gz XMDWAGWNVVZBRJ-INIZCTEOSA-N 2 1 325.460 3.089 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C[N@H+]1C1CC1 ZINC000412179088 458118802 /nfs/dbraw/zinc/11/88/02/458118802.db2.gz UJVWVHBDTCEIBY-QFBILLFUSA-N 2 1 341.499 3.028 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1OCC(F)(F)F ZINC000435369247 458120571 /nfs/dbraw/zinc/12/05/71/458120571.db2.gz DVCVRINQWIZLIX-GXTWGEPZSA-N 2 1 346.393 3.196 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000435372791 458121441 /nfs/dbraw/zinc/12/14/41/458121441.db2.gz KVHVSBIXVCFNJT-OAHLLOKOSA-N 2 1 348.441 3.199 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000435372791 458121448 /nfs/dbraw/zinc/12/14/48/458121448.db2.gz KVHVSBIXVCFNJT-OAHLLOKOSA-N 2 1 348.441 3.199 20 0 EGADMP CC[C@@H]1C[C@@H](C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000435371340 458122283 /nfs/dbraw/zinc/12/22/83/458122283.db2.gz MDNMSAVWPARXRE-YSIASYRMSA-N 2 1 331.504 3.231 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000435371568 458123352 /nfs/dbraw/zinc/12/33/52/458123352.db2.gz NOXIIDGECJVHMZ-CKEIUWERSA-N 2 1 338.879 3.067 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000435371568 458123360 /nfs/dbraw/zinc/12/33/60/458123360.db2.gz NOXIIDGECJVHMZ-CKEIUWERSA-N 2 1 338.879 3.067 20 0 EGADMP C[C@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@@H]1[NH3+] ZINC000435373445 458123863 /nfs/dbraw/zinc/12/38/63/458123863.db2.gz NLHIIAKESLYMJJ-LPHOPBHVSA-N 2 1 338.499 3.394 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@@H]1[NH3+] ZINC000435373445 458123867 /nfs/dbraw/zinc/12/38/67/458123867.db2.gz NLHIIAKESLYMJJ-LPHOPBHVSA-N 2 1 338.499 3.394 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435373554 458123931 /nfs/dbraw/zinc/12/39/31/458123931.db2.gz VDKGJKKQLKHELR-WMZOPIPTSA-N 2 1 347.466 3.103 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OCC(F)(F)F ZINC000435377615 458126841 /nfs/dbraw/zinc/12/68/41/458126841.db2.gz DLWZFWSYGBMQDO-TZMCWYRMSA-N 2 1 346.393 3.196 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OCC(F)(F)F ZINC000435377615 458126846 /nfs/dbraw/zinc/12/68/46/458126846.db2.gz DLWZFWSYGBMQDO-TZMCWYRMSA-N 2 1 346.393 3.196 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000435379058 458128318 /nfs/dbraw/zinc/12/83/18/458128318.db2.gz ARKSIQGJGSZHQZ-GDIGMMSISA-N 2 1 344.890 3.312 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000435395967 458136032 /nfs/dbraw/zinc/13/60/32/458136032.db2.gz SXXXJQSVYODPDR-KRWDZBQOSA-N 2 1 344.430 3.194 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000435395967 458136041 /nfs/dbraw/zinc/13/60/41/458136041.db2.gz SXXXJQSVYODPDR-KRWDZBQOSA-N 2 1 344.430 3.194 20 0 EGADMP CC[N@@H+](Cc1ccc(OC)c(OC(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435392157 458136510 /nfs/dbraw/zinc/13/65/10/458136510.db2.gz VMNWYDGPYGCBTD-AWEZNQCLSA-N 2 1 328.403 3.261 20 0 EGADMP CCOc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000435397814 458138179 /nfs/dbraw/zinc/13/81/79/458138179.db2.gz KWOHTXRTWYJQHV-CQSZACIVSA-N 2 1 346.393 3.197 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000435397814 458138184 /nfs/dbraw/zinc/13/81/84/458138184.db2.gz KWOHTXRTWYJQHV-CQSZACIVSA-N 2 1 346.393 3.197 20 0 EGADMP CCn1nccc1C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435423296 458142585 /nfs/dbraw/zinc/14/25/85/458142585.db2.gz SOLPPZWETUEFFX-QGZVFWFLSA-N 2 1 330.501 3.109 20 0 EGADMP CCn1nccc1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435423296 458142593 /nfs/dbraw/zinc/14/25/93/458142593.db2.gz SOLPPZWETUEFFX-QGZVFWFLSA-N 2 1 330.501 3.109 20 0 EGADMP CCOc1c(Cl)cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435436247 458147065 /nfs/dbraw/zinc/14/70/65/458147065.db2.gz FGLQIBCPDAPUET-CQSZACIVSA-N 2 1 326.868 3.321 20 0 EGADMP CC[C@@H]1C[C@@H](C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)CCO1 ZINC000435441030 458148258 /nfs/dbraw/zinc/14/82/58/458148258.db2.gz CHVMTOICZSCTSA-GVDBMIGSSA-N 2 1 337.533 3.068 20 0 EGADMP CC[N@@H+](Cc1ccc(-n2nc(C)cc2C)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435612739 458172758 /nfs/dbraw/zinc/17/27/58/458172758.db2.gz HGYLUDNEPRJAEL-IBGZPJMESA-N 2 1 326.488 3.453 20 0 EGADMP C[C@@H](CC[NH2+][C@@H]1CCCc2nn(C)cc21)[N@H+](C)Cc1ccccc1 ZINC000358760058 458198520 /nfs/dbraw/zinc/19/85/20/458198520.db2.gz USQSHLBRGBQADR-QFBILLFUSA-N 2 1 326.488 3.298 20 0 EGADMP C[C@@H](CC[NH2+][C@@H]1CCCc2nn(C)cc21)[N@@H+](C)Cc1ccccc1 ZINC000358760058 458198523 /nfs/dbraw/zinc/19/85/23/458198523.db2.gz USQSHLBRGBQADR-QFBILLFUSA-N 2 1 326.488 3.298 20 0 EGADMP C[C@H](CC[NH2+][C@@H]1CCCc2nn(C)cc21)[N@H+](C)Cc1ccccc1 ZINC000358760059 458199091 /nfs/dbraw/zinc/19/90/91/458199091.db2.gz USQSHLBRGBQADR-VQIMIIECSA-N 2 1 326.488 3.298 20 0 EGADMP C[C@H](CC[NH2+][C@@H]1CCCc2nn(C)cc21)[N@@H+](C)Cc1ccccc1 ZINC000358760059 458199096 /nfs/dbraw/zinc/19/90/96/458199096.db2.gz USQSHLBRGBQADR-VQIMIIECSA-N 2 1 326.488 3.298 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000435892058 458219432 /nfs/dbraw/zinc/21/94/32/458219432.db2.gz IXDXIBMVVHPMIK-HGHGUNKESA-N 2 1 341.499 3.389 20 0 EGADMP COC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCCC1 ZINC000446746473 458224854 /nfs/dbraw/zinc/22/48/54/458224854.db2.gz YMZPJPPYABYKAM-NRFANRHFSA-N 2 1 330.516 3.488 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000446968246 458250946 /nfs/dbraw/zinc/25/09/46/458250946.db2.gz YNDHOHNXEFMCSR-UXLLHSPISA-N 2 1 349.544 3.287 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000446968246 458250949 /nfs/dbraw/zinc/25/09/49/458250949.db2.gz YNDHOHNXEFMCSR-UXLLHSPISA-N 2 1 349.544 3.287 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000362554208 458266725 /nfs/dbraw/zinc/26/67/25/458266725.db2.gz UNSJSJKSSDEOSP-CRAIPNDOSA-N 2 1 340.471 3.191 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000362554208 458266731 /nfs/dbraw/zinc/26/67/31/458266731.db2.gz UNSJSJKSSDEOSP-CRAIPNDOSA-N 2 1 340.471 3.191 20 0 EGADMP COc1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000436403415 458299665 /nfs/dbraw/zinc/29/96/65/458299665.db2.gz APENXWOYWQHFGJ-IEBWSBKVSA-N 2 1 339.483 3.481 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2c(Cl)cnn2C)C[N@H+]1Cc1ccccc1 ZINC000436406620 458301399 /nfs/dbraw/zinc/30/13/99/458301399.db2.gz IKJXGSCMFXIONK-NVXWUHKLSA-N 2 1 346.906 3.464 20 0 EGADMP O[C@@H](C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1)C[NH+]1CCCC1 ZINC000429522320 458340601 /nfs/dbraw/zinc/34/06/01/458340601.db2.gz PDABIUHYDMCWFY-FPOVZHCZSA-N 2 1 342.458 3.156 20 0 EGADMP Cc1cncc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000372921351 458349533 /nfs/dbraw/zinc/34/95/33/458349533.db2.gz JLMBXBHGKFDPAG-UHFFFAOYSA-N 2 1 344.547 3.018 20 0 EGADMP CS[C@H]1CCCC[N@@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000429681573 458357814 /nfs/dbraw/zinc/35/78/14/458357814.db2.gz CQVQEABFDFMWKJ-PMACEKPBSA-N 2 1 348.556 3.495 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000372990297 458368319 /nfs/dbraw/zinc/36/83/19/458368319.db2.gz PGRDYNOBJHKVGZ-UYAOXDASSA-N 2 1 332.488 3.161 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000372990297 458368323 /nfs/dbraw/zinc/36/83/23/458368323.db2.gz PGRDYNOBJHKVGZ-UYAOXDASSA-N 2 1 332.488 3.161 20 0 EGADMP O[C@@]1(C[NH2+]Cc2ccc(C3CC3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000459441529 458372427 /nfs/dbraw/zinc/37/24/27/458372427.db2.gz WJHBZVDZYOXIDQ-JOCHJYFZSA-N 2 1 336.479 3.291 20 0 EGADMP O[C@@]1(C[NH2+]Cc2ccc(C3CC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000459441529 458372432 /nfs/dbraw/zinc/37/24/32/458372432.db2.gz WJHBZVDZYOXIDQ-JOCHJYFZSA-N 2 1 336.479 3.291 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[C@@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423477751 458438473 /nfs/dbraw/zinc/43/84/73/458438473.db2.gz KISFRUBFNXRSMD-CMOCDZPBSA-N 3 1 341.543 3.409 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459661586 458438676 /nfs/dbraw/zinc/43/86/76/458438676.db2.gz MOSNMQJWHFXITI-CABCVRRESA-N 2 1 334.426 3.152 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459661586 458438682 /nfs/dbraw/zinc/43/86/82/458438682.db2.gz MOSNMQJWHFXITI-CABCVRRESA-N 2 1 334.426 3.152 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459661586 458438687 /nfs/dbraw/zinc/43/86/87/458438687.db2.gz MOSNMQJWHFXITI-CABCVRRESA-N 2 1 334.426 3.152 20 0 EGADMP COC(=O)c1cnc([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000423501400 458444718 /nfs/dbraw/zinc/44/47/18/458444718.db2.gz CSNRVODWQSGXSM-JSGCOSHPSA-N 2 1 333.457 3.061 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCCC[NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000423541799 458455215 /nfs/dbraw/zinc/45/52/15/458455215.db2.gz ACADIFOQHCGGST-TYPHKJRUSA-N 2 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000423541799 458455219 /nfs/dbraw/zinc/45/52/19/458455219.db2.gz ACADIFOQHCGGST-TYPHKJRUSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000423541799 458455225 /nfs/dbraw/zinc/45/52/25/458455225.db2.gz ACADIFOQHCGGST-TYPHKJRUSA-N 3 1 327.516 3.019 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423551087 458456025 /nfs/dbraw/zinc/45/60/25/458456025.db2.gz TVCNEPSVCYVIOY-BJOMATTFSA-N 3 1 341.543 3.407 20 0 EGADMP CSc1cc2c(cc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)OCCO2 ZINC000459722882 458457079 /nfs/dbraw/zinc/45/70/79/458457079.db2.gz CESXPTBQZNHNEP-CQSZACIVSA-N 2 1 336.501 3.001 20 0 EGADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)[C@H]1C[NH3+] ZINC000430555548 458460890 /nfs/dbraw/zinc/46/08/90/458460890.db2.gz SIRHYXDHHLVRGQ-KXBFYZLASA-N 2 1 325.456 3.228 20 0 EGADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc3ccccc32)[C@H]1C[NH3+] ZINC000430555548 458460892 /nfs/dbraw/zinc/46/08/92/458460892.db2.gz SIRHYXDHHLVRGQ-KXBFYZLASA-N 2 1 325.456 3.228 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000459737363 458462987 /nfs/dbraw/zinc/46/29/87/458462987.db2.gz RAHHEHVFKAWLJR-CQSZACIVSA-N 2 1 338.879 3.323 20 0 EGADMP Cc1ccc(-c2noc(CCC[N@H+](C)CC(C)(C)C[NH3+])n2)cc1F ZINC000430598268 458468977 /nfs/dbraw/zinc/46/89/77/458468977.db2.gz SKPCOYFDFJDURH-UHFFFAOYSA-N 2 1 334.439 3.033 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCc2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000430609146 458470942 /nfs/dbraw/zinc/47/09/42/458470942.db2.gz GYGQIFBJVVRYCM-OAHLLOKOSA-N 2 1 346.450 3.048 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000459780951 458477476 /nfs/dbraw/zinc/47/74/76/458477476.db2.gz MAQZTJQINMNTLI-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000459780951 458477478 /nfs/dbraw/zinc/47/74/78/458477478.db2.gz MAQZTJQINMNTLI-NRSPTQNISA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000459780951 458477482 /nfs/dbraw/zinc/47/74/82/458477482.db2.gz MAQZTJQINMNTLI-NRSPTQNISA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459780951 458477485 /nfs/dbraw/zinc/47/74/85/458477485.db2.gz MAQZTJQINMNTLI-NRSPTQNISA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459780951 458477488 /nfs/dbraw/zinc/47/74/88/458477488.db2.gz MAQZTJQINMNTLI-NRSPTQNISA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]([NH3+])C1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000430956130 458510061 /nfs/dbraw/zinc/51/00/61/458510061.db2.gz KCUBJLUWSNINIF-OAHLLOKOSA-N 2 1 329.513 3.488 20 0 EGADMP COCCOCc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000377883200 458563135 /nfs/dbraw/zinc/56/31/35/458563135.db2.gz IRDMXYACVWMZEM-NRFANRHFSA-N 2 1 346.515 3.013 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000438552976 458596414 /nfs/dbraw/zinc/59/64/14/458596414.db2.gz PSXWSFZJSHJDMC-GGPKGHCWSA-N 2 1 349.563 3.268 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](CCc2ccccc2F)CC1 ZINC000469967679 458602492 /nfs/dbraw/zinc/60/24/92/458602492.db2.gz ZAYJDMZKIVZFSK-UHFFFAOYSA-N 2 1 336.495 3.439 20 0 EGADMP CN(c1ccccc1)C1CC[NH+](C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424303876 458611063 /nfs/dbraw/zinc/61/10/63/458611063.db2.gz PMVDCVZKMUFLHG-SFHVURJKSA-N 2 1 341.474 3.469 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC000470135173 458614413 /nfs/dbraw/zinc/61/44/13/458614413.db2.gz SJABRZVQTYPKKX-FUHWJXTLSA-N 2 1 332.488 3.028 20 0 EGADMP COC(=O)[C@@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC000470135173 458614417 /nfs/dbraw/zinc/61/44/17/458614417.db2.gz SJABRZVQTYPKKX-FUHWJXTLSA-N 2 1 332.488 3.028 20 0 EGADMP COC(=O)[C@@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC000470135173 458614425 /nfs/dbraw/zinc/61/44/25/458614425.db2.gz SJABRZVQTYPKKX-FUHWJXTLSA-N 2 1 332.488 3.028 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(F)c2C)C[C@H]1C ZINC000438819857 458617009 /nfs/dbraw/zinc/61/70/09/458617009.db2.gz NEQYSWULOPOLSJ-ZBFHGGJFSA-N 2 1 335.467 3.267 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc(F)c2C)C[C@H]1C ZINC000438819857 458617014 /nfs/dbraw/zinc/61/70/14/458617014.db2.gz NEQYSWULOPOLSJ-ZBFHGGJFSA-N 2 1 335.467 3.267 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cccc(F)c2C)C[C@H]1C ZINC000438819857 458617018 /nfs/dbraw/zinc/61/70/18/458617018.db2.gz NEQYSWULOPOLSJ-ZBFHGGJFSA-N 2 1 335.467 3.267 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000494023999 458617284 /nfs/dbraw/zinc/61/72/84/458617284.db2.gz OIBICRUUBHMWQZ-UHFFFAOYSA-N 2 1 338.496 3.064 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000494023999 458617288 /nfs/dbraw/zinc/61/72/88/458617288.db2.gz OIBICRUUBHMWQZ-UHFFFAOYSA-N 2 1 338.496 3.064 20 0 EGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431785233 458623902 /nfs/dbraw/zinc/62/39/02/458623902.db2.gz ORPFWNKBDNXIJJ-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[NH+]1CCCCCC1 ZINC000494068107 458624030 /nfs/dbraw/zinc/62/40/30/458624030.db2.gz DZEXETICKANAQR-QWFCFKBJSA-N 2 1 343.515 3.030 20 0 EGADMP CCc1cc(OC)ccc1C[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000502281804 458643825 /nfs/dbraw/zinc/64/38/25/458643825.db2.gz AZCRQVDAIVTKSR-HXUWFJFHSA-N 2 1 334.504 3.190 20 0 EGADMP C[N@@H+](CCC(=O)NC1CC[NH+](CC2CCCC2)CC1)C1CCCCC1 ZINC000546721844 458666343 /nfs/dbraw/zinc/66/63/43/458666343.db2.gz GBKMVSCGVZRSKW-UHFFFAOYSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCN(CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000503061953 458690760 /nfs/dbraw/zinc/69/07/60/458690760.db2.gz HUERBJYDIHFRMA-QGZVFWFLSA-N 2 1 335.467 3.349 20 0 EGADMP CCN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000494635238 458715597 /nfs/dbraw/zinc/71/55/97/458715597.db2.gz FVFQCNZTWYIZNF-IHPCNDPISA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000503920971 458729615 /nfs/dbraw/zinc/72/96/15/458729615.db2.gz OQEGIORYQQBDQX-GOSISDBHSA-N 2 1 340.556 3.011 20 0 EGADMP CCN(CCC[NH+](CC)CC)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000472092415 458767049 /nfs/dbraw/zinc/76/70/49/458767049.db2.gz BYOAFNCNSMGBIM-MSOLQXFVSA-N 2 1 340.556 3.013 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccc(F)cc1 ZINC000547733336 458782056 /nfs/dbraw/zinc/78/20/56/458782056.db2.gz OIDYIYKTOJTVTF-LJQANCHMSA-N 2 1 349.494 3.199 20 0 EGADMP Cc1ccc2[nH]c(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)cc2c1C ZINC000473149041 458820897 /nfs/dbraw/zinc/82/08/97/458820897.db2.gz ISYQAWOEHBHIHI-DZFGPLHGSA-N 2 1 341.499 3.468 20 0 EGADMP Cc1ccc2[nH]c(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)cc2c1C ZINC000473149041 458820902 /nfs/dbraw/zinc/82/09/02/458820902.db2.gz ISYQAWOEHBHIHI-DZFGPLHGSA-N 2 1 341.499 3.468 20 0 EGADMP Cc1ccc2[nH]c(C[N@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cc2c1C ZINC000473137399 458821924 /nfs/dbraw/zinc/82/19/24/458821924.db2.gz HVUICSWNDFOPSO-INIZCTEOSA-N 2 1 343.515 3.309 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(Cc2nc(CC(F)(F)F)no2)CC1 ZINC000441217491 458902962 /nfs/dbraw/zinc/90/29/62/458902962.db2.gz IGLPWHGJNQTZCU-UHFFFAOYSA-N 2 1 348.413 3.118 20 0 EGADMP CC[NH+](CC)CCC[N@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000495656305 458909619 /nfs/dbraw/zinc/90/96/19/458909619.db2.gz ITKNLRODVYOLLU-MRXNPFEDSA-N 2 1 333.476 3.368 20 0 EGADMP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000495656305 458909624 /nfs/dbraw/zinc/90/96/24/458909624.db2.gz ITKNLRODVYOLLU-MRXNPFEDSA-N 2 1 333.476 3.368 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000441333095 458921271 /nfs/dbraw/zinc/92/12/71/458921271.db2.gz AAVBLEZVCWRLTE-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC=C(C(C)(C)C)CC1)c1ccccc1 ZINC000475140065 458922211 /nfs/dbraw/zinc/92/22/11/458922211.db2.gz QQYLFJZIYLDSSV-IBGZPJMESA-N 2 1 343.515 3.084 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC=C(C(C)(C)C)CC1)c1ccccc1 ZINC000475140065 458922214 /nfs/dbraw/zinc/92/22/14/458922214.db2.gz QQYLFJZIYLDSSV-IBGZPJMESA-N 2 1 343.515 3.084 20 0 EGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441339451 458923143 /nfs/dbraw/zinc/92/31/43/458923143.db2.gz VKIXWSLRQUKTTP-UHFFFAOYSA-N 2 1 343.437 3.129 20 0 EGADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1C ZINC000441344380 458923371 /nfs/dbraw/zinc/92/33/71/458923371.db2.gz FAKNMAVKNDHVLD-WOJBJXKFSA-N 2 1 348.531 3.158 20 0 EGADMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1C ZINC000441344380 458923377 /nfs/dbraw/zinc/92/33/77/458923377.db2.gz FAKNMAVKNDHVLD-WOJBJXKFSA-N 2 1 348.531 3.158 20 0 EGADMP Cc1ccc(C)c(OC[C@H](O)C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1C ZINC000441344380 458923380 /nfs/dbraw/zinc/92/33/80/458923380.db2.gz FAKNMAVKNDHVLD-WOJBJXKFSA-N 2 1 348.531 3.158 20 0 EGADMP Cc1ccc(C)c(OC[C@H](O)C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1C ZINC000441344380 458923383 /nfs/dbraw/zinc/92/33/83/458923383.db2.gz FAKNMAVKNDHVLD-WOJBJXKFSA-N 2 1 348.531 3.158 20 0 EGADMP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556178592 458933910 /nfs/dbraw/zinc/93/39/10/458933910.db2.gz FOKVLBVRANSRNW-BHDDXSALSA-N 2 1 338.495 3.324 20 0 EGADMP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556178592 458933917 /nfs/dbraw/zinc/93/39/17/458933917.db2.gz FOKVLBVRANSRNW-BHDDXSALSA-N 2 1 338.495 3.324 20 0 EGADMP CCOc1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441446703 458945730 /nfs/dbraw/zinc/94/57/30/458945730.db2.gz LLLJWUFIXGJFAV-GOSISDBHSA-N 2 1 332.488 3.272 20 0 EGADMP CCOc1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441446703 458945736 /nfs/dbraw/zinc/94/57/36/458945736.db2.gz LLLJWUFIXGJFAV-GOSISDBHSA-N 2 1 332.488 3.272 20 0 EGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000576935910 458950323 /nfs/dbraw/zinc/95/03/23/458950323.db2.gz HYRJUKPXEPGPMO-NZSAHSFTSA-N 2 1 348.531 3.105 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccsc1 ZINC000531677644 458959015 /nfs/dbraw/zinc/95/90/15/458959015.db2.gz DOPGYDPHEXHLIZ-ZBFHGGJFSA-N 2 1 335.542 3.449 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cc(C)ccc2OC)[C@@H](C)C1 ZINC000531689498 458960707 /nfs/dbraw/zinc/96/07/07/458960707.db2.gz KTCVOYCWVKGVFL-AZUAARDMSA-N 2 1 348.531 3.273 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000475726998 458961487 /nfs/dbraw/zinc/96/14/87/458961487.db2.gz WWZAEVIXZHEDAB-JKSUJKDBSA-N 2 1 337.508 3.466 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000475726998 458961491 /nfs/dbraw/zinc/96/14/91/458961491.db2.gz WWZAEVIXZHEDAB-JKSUJKDBSA-N 2 1 337.508 3.466 20 0 EGADMP COCC[NH+]1CCC([NH2+]Cc2ccc(-c3csc(C)n3)cc2)CC1 ZINC000531698219 458963254 /nfs/dbraw/zinc/96/32/54/458963254.db2.gz OTTWPQLJBLVIAQ-UHFFFAOYSA-N 2 1 345.512 3.319 20 0 EGADMP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccsc1 ZINC000531710462 458965436 /nfs/dbraw/zinc/96/54/36/458965436.db2.gz NPWGXKIVIBYEKT-APWZRJJASA-N 2 1 329.513 3.387 20 0 EGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000531713610 458965966 /nfs/dbraw/zinc/96/59/66/458965966.db2.gz AIJKKTNJZODERN-IAGOWNOFSA-N 2 1 332.488 3.155 20 0 EGADMP Cc1ccccc1C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CC1 ZINC000556586343 458975001 /nfs/dbraw/zinc/97/50/01/458975001.db2.gz SDYSTWBUZDJRNR-QFIPXVFZSA-N 2 1 343.559 3.179 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000566687515 458983182 /nfs/dbraw/zinc/98/31/82/458983182.db2.gz LGEABVJQVKGKHO-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000468046365 458999861 /nfs/dbraw/zinc/99/98/61/458999861.db2.gz CLDJSKMKENTTOH-ABAIWWIYSA-N 2 1 336.277 3.360 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000468046365 458999864 /nfs/dbraw/zinc/99/98/64/458999864.db2.gz CLDJSKMKENTTOH-ABAIWWIYSA-N 2 1 336.277 3.360 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000519761736 459001314 /nfs/dbraw/zinc/00/13/14/459001314.db2.gz DZWRMSRSWMSSHB-PBHICJAKSA-N 2 1 344.421 3.464 20 0 EGADMP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000531970976 459009844 /nfs/dbraw/zinc/00/98/44/459009844.db2.gz AZTMILPHJOAFPV-AABGKKOBSA-N 2 1 343.515 3.052 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2)n1 ZINC000566858634 459012122 /nfs/dbraw/zinc/01/21/22/459012122.db2.gz SJEMAOAMNRAOIW-PMACEKPBSA-N 2 1 338.499 3.311 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000567113944 459049355 /nfs/dbraw/zinc/04/93/55/459049355.db2.gz ZAYPERUCZXUFRZ-RLLQIKCJSA-N 2 1 343.515 3.030 20 0 EGADMP COc1cc(Br)ccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442923280 459061318 /nfs/dbraw/zinc/06/13/18/459061318.db2.gz LVESDXKICVFBFA-LBPRGKRZSA-N 2 1 327.266 3.019 20 0 EGADMP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443062295 459081185 /nfs/dbraw/zinc/08/11/85/459081185.db2.gz UILJKGMJFZRIKA-NEPJUHHUSA-N 2 1 344.286 3.381 20 0 EGADMP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443062295 459081190 /nfs/dbraw/zinc/08/11/90/459081190.db2.gz UILJKGMJFZRIKA-NEPJUHHUSA-N 2 1 344.286 3.381 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000532447150 459091075 /nfs/dbraw/zinc/09/10/75/459091075.db2.gz ZYPHZCQYRSSDMB-QQFBHYJXSA-N 2 1 336.442 3.467 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000521033194 459114513 /nfs/dbraw/zinc/11/45/13/459114513.db2.gz YXLNKADGBITWGQ-FQEVSTJZSA-N 2 1 343.515 3.236 20 0 EGADMP Cc1ccc([C@H](CNc2cc[nH+]c3ccccc23)[NH+]2CCOCC2)cc1 ZINC000521092114 459119448 /nfs/dbraw/zinc/11/94/48/459119448.db2.gz IWEPHNINUPYNAV-QFIPXVFZSA-N 2 1 347.462 3.451 20 0 EGADMP CCOC(=O)CC(C)(C)CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000567534642 459120740 /nfs/dbraw/zinc/12/07/40/459120740.db2.gz AKVMJOGZLSQAHY-UHFFFAOYSA-N 2 1 326.525 3.408 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC[N@@H+]1C ZINC000496242273 459121605 /nfs/dbraw/zinc/12/16/05/459121605.db2.gz FKFMWCKRLVQSKY-KZNAEPCWSA-N 2 1 345.487 3.112 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC[N@H+]1C ZINC000496242273 459121609 /nfs/dbraw/zinc/12/16/09/459121609.db2.gz FKFMWCKRLVQSKY-KZNAEPCWSA-N 2 1 345.487 3.112 20 0 EGADMP Clc1ccccc1[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCCC1 ZINC000567642442 459138380 /nfs/dbraw/zinc/13/83/80/459138380.db2.gz BGGBJYBQLIJYSZ-QDXKRRSBSA-N 2 1 333.907 3.350 20 0 EGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOc1ccc2cc(Br)ccc2c1 ZINC000567645885 459139145 /nfs/dbraw/zinc/13/91/45/459139145.db2.gz HZUMFWNGSJOZHU-IRXDYDNUSA-N 2 1 349.272 3.451 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000479431801 459140614 /nfs/dbraw/zinc/14/06/14/459140614.db2.gz ZVXLOSRSMHEXNC-OAQYLSRUSA-N 2 1 340.511 3.338 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000558501307 459168089 /nfs/dbraw/zinc/16/80/89/459168089.db2.gz KZFYDCKXVGKSEQ-QWFCFKBJSA-N 2 1 332.536 3.002 20 0 EGADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000558501307 459168094 /nfs/dbraw/zinc/16/80/94/459168094.db2.gz KZFYDCKXVGKSEQ-QWFCFKBJSA-N 2 1 332.536 3.002 20 0 EGADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000558501307 459168099 /nfs/dbraw/zinc/16/80/99/459168099.db2.gz KZFYDCKXVGKSEQ-QWFCFKBJSA-N 2 1 332.536 3.002 20 0 EGADMP Fc1ccc(COc2cccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000479942917 459173795 /nfs/dbraw/zinc/17/37/95/459173795.db2.gz QRERHBLICKXVTG-HDICACEKSA-N 2 1 326.415 3.056 20 0 EGADMP Fc1ccc(COc2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000479942917 459173797 /nfs/dbraw/zinc/17/37/97/459173797.db2.gz QRERHBLICKXVTG-HDICACEKSA-N 2 1 326.415 3.056 20 0 EGADMP CC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2Oc2ccncc2)C1 ZINC000558716061 459202697 /nfs/dbraw/zinc/20/26/97/459202697.db2.gz KJSVONMHYUYSTC-MRXNPFEDSA-N 2 1 339.439 3.336 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000533272251 459211511 /nfs/dbraw/zinc/21/15/11/459211511.db2.gz WSRAASFDGZOCDV-HXUWFJFHSA-N 2 1 343.515 3.059 20 0 EGADMP CCc1ccccc1NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786561 459219617 /nfs/dbraw/zinc/21/96/17/459219617.db2.gz HFIWCPWCCMVJBR-UHFFFAOYSA-N 2 1 331.504 3.240 20 0 EGADMP CCc1ccccc1NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786561 459219623 /nfs/dbraw/zinc/21/96/23/459219623.db2.gz HFIWCPWCCMVJBR-UHFFFAOYSA-N 2 1 331.504 3.240 20 0 EGADMP CCC[N@@H+](CCCc1cncn1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000578545411 459219676 /nfs/dbraw/zinc/21/96/76/459219676.db2.gz PUOVZQGMUAPFRX-QGZVFWFLSA-N 2 1 342.487 3.482 20 0 EGADMP CCC[N@H+](CCCc1c[nH+]cn1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000578545411 459219685 /nfs/dbraw/zinc/21/96/85/459219685.db2.gz PUOVZQGMUAPFRX-QGZVFWFLSA-N 2 1 342.487 3.482 20 0 EGADMP CCC[N@@H+](CCCc1c[nH+]cn1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000578545411 459219691 /nfs/dbraw/zinc/21/96/91/459219691.db2.gz PUOVZQGMUAPFRX-QGZVFWFLSA-N 2 1 342.487 3.482 20 0 EGADMP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)n1ccnc1 ZINC000578538038 459220066 /nfs/dbraw/zinc/22/00/66/459220066.db2.gz NMHPFWCPCRNRCH-ZHALLVOQSA-N 2 1 340.471 3.004 20 0 EGADMP Cc1nn(C)cc1C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000533739196 459265730 /nfs/dbraw/zinc/26/57/30/459265730.db2.gz XPOZUOOLKDJUCK-QFBILLFUSA-N 2 1 326.488 3.119 20 0 EGADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000482102594 459290046 /nfs/dbraw/zinc/29/00/46/459290046.db2.gz TVJXZACDLMVNLK-NUJGCVRESA-N 2 1 335.923 3.405 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(C)(C)CC ZINC000482130793 459291827 /nfs/dbraw/zinc/29/18/27/459291827.db2.gz WDNAYGURHKBLAB-IXDOHACOSA-N 2 1 325.541 3.170 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1C ZINC000482144549 459293230 /nfs/dbraw/zinc/29/32/30/459293230.db2.gz MHKNAMARBCSXLL-IEBWSBKVSA-N 2 1 331.504 3.424 20 0 EGADMP NC(=O)OC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000496723169 459300676 /nfs/dbraw/zinc/30/06/76/459300676.db2.gz UACPQRZBFJEXAS-SFHVURJKSA-N 2 1 345.487 3.104 20 0 EGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000482359427 459304798 /nfs/dbraw/zinc/30/47/98/459304798.db2.gz QPNZBTVGBRAHFJ-GOSISDBHSA-N 2 1 343.559 3.490 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000483157435 459346361 /nfs/dbraw/zinc/34/63/61/459346361.db2.gz RUGTZASFBFMPOT-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483157435 459346364 /nfs/dbraw/zinc/34/63/64/459346364.db2.gz RUGTZASFBFMPOT-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483157435 459346367 /nfs/dbraw/zinc/34/63/67/459346367.db2.gz RUGTZASFBFMPOT-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1)C(C)C ZINC000568864680 459357643 /nfs/dbraw/zinc/35/76/43/459357643.db2.gz HPRXEYPRLWQBBM-IBGZPJMESA-N 2 1 331.504 3.179 20 0 EGADMP CCN1CCC([N@@H+](C)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496929310 459375683 /nfs/dbraw/zinc/37/56/83/459375683.db2.gz SHKFDDOXMYARGB-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+]1CCC([N@H+](C)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496929310 459375688 /nfs/dbraw/zinc/37/56/88/459375688.db2.gz SHKFDDOXMYARGB-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496929310 459375692 /nfs/dbraw/zinc/37/56/92/459375692.db2.gz SHKFDDOXMYARGB-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccc(C)cc2)[C@@H](C)C1 ZINC000483619290 459377034 /nfs/dbraw/zinc/37/70/34/459377034.db2.gz GZWZCBQAJFRWQM-ZVDOUQERSA-N 2 1 348.531 3.489 20 0 EGADMP CC[N@@H+](C)C[C@H](O)CN[C@H](C)c1ccccc1OCc1ccccc1 ZINC000582554468 459384429 /nfs/dbraw/zinc/38/44/29/459384429.db2.gz NRTXSGXIANPTDE-IEBWSBKVSA-N 2 1 342.483 3.229 20 0 EGADMP COc1cccc(C[N@H+](CCCc2c[nH+]cn2C)C[C@@H]2CCCO2)c1 ZINC000582615154 459396198 /nfs/dbraw/zinc/39/61/98/459396198.db2.gz RTESWOJXQLWKLB-FQEVSTJZSA-N 2 1 343.471 3.043 20 0 EGADMP COc1cccc(C[N@@H+](CCCc2c[nH+]cn2C)C[C@@H]2CCCO2)c1 ZINC000582615154 459396203 /nfs/dbraw/zinc/39/62/03/459396203.db2.gz RTESWOJXQLWKLB-FQEVSTJZSA-N 2 1 343.471 3.043 20 0 EGADMP CC(C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000484875171 459432798 /nfs/dbraw/zinc/43/27/98/459432798.db2.gz GNPNZCCRPZYEIU-ZCNNSNEGSA-N 2 1 346.515 3.358 20 0 EGADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1nc(-c2ccccc2)no1 ZINC000569445983 459451918 /nfs/dbraw/zinc/45/19/18/459451918.db2.gz JYELOCGZLYJGIF-CQSZACIVSA-N 2 1 326.444 3.057 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)Cn1cccn1 ZINC000562283935 459530015 /nfs/dbraw/zinc/53/00/15/459530015.db2.gz ZUHQSNMXORIOLY-QWFCFKBJSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)Cn1cccn1 ZINC000562283935 459530021 /nfs/dbraw/zinc/53/00/21/459530021.db2.gz ZUHQSNMXORIOLY-QWFCFKBJSA-N 2 1 326.488 3.162 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000562517678 459576063 /nfs/dbraw/zinc/57/60/63/459576063.db2.gz NOJMHVZTWQDWEY-CYBMUJFWSA-N 2 1 348.288 3.429 20 0 EGADMP Cc1ccc([C@@H]([NH2+]CCCCN2CC[NH+](C)CC2)C2CCCC2)o1 ZINC000542670253 459581117 /nfs/dbraw/zinc/58/11/17/459581117.db2.gz DRKBYHUYDOLNBT-FQEVSTJZSA-N 2 1 333.520 3.437 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000573370157 459666910 /nfs/dbraw/zinc/66/69/10/459666910.db2.gz WHOYWRRRNDDKJV-CABCVRRESA-N 2 1 343.475 3.302 20 0 EGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000584222392 459684034 /nfs/dbraw/zinc/68/40/34/459684034.db2.gz BJAYJFRYLXFSBH-UYAOXDASSA-N 2 1 343.515 3.012 20 0 EGADMP Fc1ccc(COc2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC000563150303 459725239 /nfs/dbraw/zinc/72/52/39/459725239.db2.gz JSKOBDOLJXXKNB-RBUKOAKNSA-N 2 1 340.442 3.446 20 0 EGADMP Fc1ccc(COc2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC000563150303 459725244 /nfs/dbraw/zinc/72/52/44/459725244.db2.gz JSKOBDOLJXXKNB-RBUKOAKNSA-N 2 1 340.442 3.446 20 0 EGADMP CCCOc1ccc(OCC[N@H+]2CC[C@H](c3nccn3C)C2)cc1 ZINC000573739732 459726373 /nfs/dbraw/zinc/72/63/73/459726373.db2.gz CICQDHSRNMSTMJ-INIZCTEOSA-N 2 1 329.444 3.077 20 0 EGADMP CCCCCOc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1 ZINC000584479617 459751084 /nfs/dbraw/zinc/75/10/84/459751084.db2.gz ATXPPGRZDLYVKY-UHFFFAOYSA-N 2 1 334.504 3.192 20 0 EGADMP Cc1cc(C)c([C@@H](C)[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c(C)c1 ZINC000566058994 459799348 /nfs/dbraw/zinc/79/93/48/459799348.db2.gz NBFWNUHGFFDLHR-SJLPKXTDSA-N 2 1 327.476 3.060 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000574323840 459806209 /nfs/dbraw/zinc/80/62/09/459806209.db2.gz MMEJGZMXMMFVSA-CQSZACIVSA-N 2 1 330.863 3.276 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000574323840 459806211 /nfs/dbraw/zinc/80/62/11/459806211.db2.gz MMEJGZMXMMFVSA-CQSZACIVSA-N 2 1 330.863 3.276 20 0 EGADMP Cc1ccc2cc(C[N@@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)[nH]c2c1 ZINC000597025920 459820274 /nfs/dbraw/zinc/82/02/74/459820274.db2.gz JWHPCRVHMHSQAR-FQEVSTJZSA-N 2 1 340.515 3.077 20 0 EGADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)nnn1-c1ccc(F)cc1 ZINC000566245101 459827666 /nfs/dbraw/zinc/82/76/66/459827666.db2.gz IGFRLNNSMAFLBP-CYBMUJFWSA-N 2 1 339.418 3.024 20 0 EGADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574565345 459834402 /nfs/dbraw/zinc/83/44/02/459834402.db2.gz QQJFIFOAUUDTNQ-JTJHWIPRSA-N 2 1 332.532 3.499 20 0 EGADMP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000546016887 459889338 /nfs/dbraw/zinc/88/93/38/459889338.db2.gz QBUBMFOCTPASLE-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C/C=C/c3cc(C)c(C)cc3C)C2)CC1 ZINC000602465450 459951150 /nfs/dbraw/zinc/95/11/50/459951150.db2.gz QXZXAMBBMONQCN-WMWRJIBUSA-N 2 1 341.543 3.337 20 0 EGADMP CC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000576254715 460102921 /nfs/dbraw/zinc/10/29/21/460102921.db2.gz VLOKDCPBYPMRRJ-NQIIRXRSSA-N 3 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000576254715 460102929 /nfs/dbraw/zinc/10/29/29/460102929.db2.gz VLOKDCPBYPMRRJ-NQIIRXRSSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccccc2)CC1 ZINC000576390099 460131593 /nfs/dbraw/zinc/13/15/93/460131593.db2.gz HCGHPKYVTCOPPW-GCJKJVERSA-N 2 1 338.495 3.405 20 0 EGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000576507143 460155835 /nfs/dbraw/zinc/15/58/35/460155835.db2.gz MYILADSQWMBIJD-OALUTQOASA-N 2 1 338.455 3.084 20 0 EGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000576615886 460178599 /nfs/dbraw/zinc/17/85/99/460178599.db2.gz KYBGJICAQWBRQD-HZPDHXFCSA-N 2 1 340.458 3.376 20 0 EGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000576615886 460178607 /nfs/dbraw/zinc/17/86/07/460178607.db2.gz KYBGJICAQWBRQD-HZPDHXFCSA-N 2 1 340.458 3.376 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000576811667 460217815 /nfs/dbraw/zinc/21/78/15/460217815.db2.gz KKPOUFHCUDQLCB-HZPDHXFCSA-N 2 1 349.485 3.361 20 0 EGADMP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000599310930 460225788 /nfs/dbraw/zinc/22/57/88/460225788.db2.gz GLKBDRXZHXUKTC-FQEVSTJZSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC000599313944 460226259 /nfs/dbraw/zinc/22/62/59/460226259.db2.gz AUABLJSIGCFLSQ-QFBILLFUSA-N 2 1 329.488 3.484 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC000599313944 460226263 /nfs/dbraw/zinc/22/62/63/460226263.db2.gz AUABLJSIGCFLSQ-QFBILLFUSA-N 2 1 329.488 3.484 20 0 EGADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC000599313944 460226267 /nfs/dbraw/zinc/22/62/67/460226267.db2.gz AUABLJSIGCFLSQ-QFBILLFUSA-N 2 1 329.488 3.484 20 0 EGADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC000599313944 460226271 /nfs/dbraw/zinc/22/62/71/460226271.db2.gz AUABLJSIGCFLSQ-QFBILLFUSA-N 2 1 329.488 3.484 20 0 EGADMP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000622507907 460269982 /nfs/dbraw/zinc/26/99/82/460269982.db2.gz FNLZKJKJICKDIY-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP Cc1cc(NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)cn2cc[nH+]c12 ZINC000615350362 460314294 /nfs/dbraw/zinc/31/42/94/460314294.db2.gz WFRIVYNNZXZUCP-LJQANCHMSA-N 2 1 348.450 3.461 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3coc4ccccc34)C2)CC1 ZINC000611276289 460326684 /nfs/dbraw/zinc/32/66/84/460326684.db2.gz JPHGMYNADSVYID-GOSISDBHSA-N 2 1 327.472 3.033 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3coc4ccccc34)C2)CC1 ZINC000611276290 460326952 /nfs/dbraw/zinc/32/69/52/460326952.db2.gz JPHGMYNADSVYID-SFHVURJKSA-N 2 1 327.472 3.033 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)COc1ccccc1 ZINC000626061537 460357877 /nfs/dbraw/zinc/35/78/77/460357877.db2.gz NFIUHDKSUZMMDZ-HXUWFJFHSA-N 2 1 342.483 3.010 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000615617668 460360237 /nfs/dbraw/zinc/36/02/37/460360237.db2.gz BKRXRNWBSBEGAZ-FPOVZHCZSA-N 2 1 343.515 3.014 20 0 EGADMP Cc1ccc(SCC[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1C ZINC000604389390 460417874 /nfs/dbraw/zinc/41/78/74/460417874.db2.gz PRIVPKOVCWZEQO-IBGZPJMESA-N 2 1 347.572 3.107 20 0 EGADMP Cc1ccc(SCC[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1C ZINC000604389390 460417878 /nfs/dbraw/zinc/41/78/78/460417878.db2.gz PRIVPKOVCWZEQO-IBGZPJMESA-N 2 1 347.572 3.107 20 0 EGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC2)C1 ZINC000604390122 460418569 /nfs/dbraw/zinc/41/85/69/460418569.db2.gz RWMAVVRLRLPCKY-SWXIYASGSA-N 2 1 345.575 3.305 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000600190859 460430013 /nfs/dbraw/zinc/43/00/13/460430013.db2.gz NHUNKGLECMDMAS-QGZVFWFLSA-N 2 1 332.488 3.463 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCc4ncccc43)CC2)nc(C)[nH+]1 ZINC000631585661 460458192 /nfs/dbraw/zinc/45/81/92/460458192.db2.gz SJGKIOMMIQMJTM-LJQANCHMSA-N 2 1 337.471 3.124 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604774318 460476774 /nfs/dbraw/zinc/47/67/74/460476774.db2.gz PVOLVFICHGJTOJ-ZACQAIPSSA-N 2 1 325.541 3.122 20 0 EGADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCCC1=CCCCC1 ZINC000604773423 460477955 /nfs/dbraw/zinc/47/79/55/460477955.db2.gz OCJOZISRUASPNY-FUHWJXTLSA-N 2 1 337.552 3.338 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H](NC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000631749470 460544208 /nfs/dbraw/zinc/54/42/08/460544208.db2.gz QULLRGIWYVZVLK-NRFANRHFSA-N 2 1 327.516 3.033 20 0 EGADMP Cc1ccc(CN2CC[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000631749470 460544214 /nfs/dbraw/zinc/54/42/14/460544214.db2.gz QULLRGIWYVZVLK-NRFANRHFSA-N 2 1 327.516 3.033 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCc4scnc43)CC2)nc(C)[nH+]1 ZINC000623902811 460769199 /nfs/dbraw/zinc/76/91/99/460769199.db2.gz QHZINVVKRIVIEU-OAHLLOKOSA-N 2 1 343.500 3.186 20 0 EGADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535266 460799794 /nfs/dbraw/zinc/79/97/94/460799794.db2.gz BZKDMTFQDGICCN-UHIISALHSA-N 2 1 329.257 3.249 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617351305 460825903 /nfs/dbraw/zinc/82/59/03/460825903.db2.gz IMPAZOWLEJVRCE-ZWKOTPCHSA-N 2 1 331.504 3.059 20 0 EGADMP CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000635562023 460833593 /nfs/dbraw/zinc/83/35/93/460833593.db2.gz BQXJDLGZLJQRGT-UHFFFAOYSA-N 2 1 345.531 3.087 20 0 EGADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635788542 460924722 /nfs/dbraw/zinc/92/47/22/460924722.db2.gz CNJHWDKSMSTSHL-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]CCc2cccc(C(F)(F)F)c2)CCCO1 ZINC000628253242 461063169 /nfs/dbraw/zinc/06/31/69/461063169.db2.gz YSQPECAEFJFERJ-OAHLLOKOSA-N 2 1 344.421 3.338 20 0 EGADMP CN(CCC[N@@H+](C)Cc1ccsc1C(F)(F)F)CC[NH+](C)C ZINC000628283462 461072524 /nfs/dbraw/zinc/07/25/24/461072524.db2.gz XAONIJOPOHDGAW-UHFFFAOYSA-N 2 1 337.455 3.082 20 0 EGADMP C[C@H]1CCC[C@H](NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000637919698 461127293 /nfs/dbraw/zinc/12/72/93/461127293.db2.gz SZZZYQHMUIAARG-HKUYNNGSSA-N 2 1 343.515 3.065 20 0 EGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652353845 461151295 /nfs/dbraw/zinc/15/12/95/461151295.db2.gz FLODIMFGALTCNB-DJIMGWMZSA-N 2 1 349.544 3.033 20 0 EGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652353845 461151300 /nfs/dbraw/zinc/15/13/00/461151300.db2.gz FLODIMFGALTCNB-DJIMGWMZSA-N 2 1 349.544 3.033 20 0 EGADMP CC(C)c1ccc(-c2noc(C[NH+]3CCC(CC[NH3+])CC3)n2)cc1 ZINC000652359324 461154070 /nfs/dbraw/zinc/15/40/70/461154070.db2.gz DRINSVNSUUWNIT-UHFFFAOYSA-N 2 1 328.460 3.421 20 0 EGADMP Fc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000662272332 461159436 /nfs/dbraw/zinc/15/94/36/461159436.db2.gz DWTJIHADHPFPEL-CHWSQXEVSA-N 2 1 328.378 3.249 20 0 EGADMP COc1ccc(-c2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)on2)cc1 ZINC000662277446 461162941 /nfs/dbraw/zinc/16/29/41/461162941.db2.gz UXFPXPNPGLZIPB-OXJNMPFZSA-N 2 1 341.455 3.314 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)on2)cc1 ZINC000662277446 461162946 /nfs/dbraw/zinc/16/29/46/461162946.db2.gz UXFPXPNPGLZIPB-OXJNMPFZSA-N 2 1 341.455 3.314 20 0 EGADMP C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290938 461168534 /nfs/dbraw/zinc/16/85/34/461168534.db2.gz AFJCWFOISHZKBJ-WMZOPIPTSA-N 2 1 339.487 3.040 20 0 EGADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000662311545 461183588 /nfs/dbraw/zinc/18/35/88/461183588.db2.gz BTUMZTBXTOGYER-YLJYHZDGSA-N 2 1 345.531 3.412 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC(=O)N2c3ccccc3CC[C@H]2C)[C@@H]1CCC[NH3+] ZINC000662312737 461184251 /nfs/dbraw/zinc/18/42/51/461184251.db2.gz CSDDJESIKKJCPT-ZHALLVOQSA-N 2 1 343.515 3.194 20 0 EGADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312427 461184785 /nfs/dbraw/zinc/18/47/85/461184785.db2.gz CDTWRFVGEGWAQX-ZIFCJYIRSA-N 2 1 331.504 3.045 20 0 EGADMP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313420 461185857 /nfs/dbraw/zinc/18/58/57/461185857.db2.gz NHPVZYVNTAQXOO-CXAGYDPISA-N 2 1 337.895 3.426 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000655444037 461254487 /nfs/dbraw/zinc/25/44/87/461254487.db2.gz IBEAXKDKCYPXBK-LKUPVBHCSA-N 2 1 341.499 3.389 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)cc2)C1 ZINC000655444019 461254811 /nfs/dbraw/zinc/25/48/11/461254811.db2.gz HCPHNCHZLFDLEV-LKUPVBHCSA-N 2 1 341.499 3.247 20 0 EGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]3C[C@]34CCC[NH2+]C4)c2C1 ZINC000655446781 461254994 /nfs/dbraw/zinc/25/49/94/461254994.db2.gz APKYGPIQYKGSCN-NQIIRXRSSA-N 2 1 341.499 3.377 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000638137770 461265899 /nfs/dbraw/zinc/26/58/99/461265899.db2.gz NJCABWBLWOROOC-ZHHKINOHSA-N 2 1 341.543 3.138 20 0 EGADMP CC(C)Oc1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655685437 461361244 /nfs/dbraw/zinc/36/12/44/461361244.db2.gz DAUWHHRWPOAOME-NRFANRHFSA-N 2 1 346.515 3.249 20 0 EGADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000641804785 461380134 /nfs/dbraw/zinc/38/01/34/461380134.db2.gz JQNYLKMSORZGBE-RYUDHWBXSA-N 2 1 349.784 3.013 20 0 EGADMP c1ccc(OCCCCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000668694092 461385554 /nfs/dbraw/zinc/38/55/54/461385554.db2.gz ZKPOIKBKQQOJQG-IBGZPJMESA-N 2 1 332.488 3.079 20 0 EGADMP CC[C@H](C(=O)Nc1cccc2c1CC[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000646735658 461393177 /nfs/dbraw/zinc/39/31/77/461393177.db2.gz RVLHRPSQHUYWMF-HXUWFJFHSA-N 2 1 337.467 3.181 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652871285 461393832 /nfs/dbraw/zinc/39/38/32/461393832.db2.gz DVWWWOZGEWTBEM-UHFFFAOYSA-N 2 1 335.517 3.153 20 0 EGADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000638384038 461399571 /nfs/dbraw/zinc/39/95/71/461399571.db2.gz MBNPOXVRBQGSPW-UHFFFAOYSA-N 2 1 346.515 3.333 20 0 EGADMP Fc1ccc(C2([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCC2)cc1 ZINC000655741306 461407937 /nfs/dbraw/zinc/40/79/37/461407937.db2.gz HEEGHUQYADHVAF-IBGZPJMESA-N 2 1 332.463 3.438 20 0 EGADMP CC(C)(C)OC1CC(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655759146 461425147 /nfs/dbraw/zinc/42/51/47/461425147.db2.gz JMKKZDBFTAVKDG-AVAKVYKDSA-N 2 1 338.536 3.203 20 0 EGADMP c1c2ccccc2sc1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655770188 461435974 /nfs/dbraw/zinc/43/59/74/461435974.db2.gz BJNMULZMQPTFHL-QGZVFWFLSA-N 2 1 330.497 3.287 20 0 EGADMP COc1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)on1 ZINC000659874503 461476609 /nfs/dbraw/zinc/47/66/09/461476609.db2.gz RDQLFVYTMBQZEF-UHFFFAOYSA-N 2 1 329.444 3.027 20 0 EGADMP CCO[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](OCC)[C@@H](C)C2)C[C@H]1C ZINC000649991450 461502899 /nfs/dbraw/zinc/50/28/99/461502899.db2.gz BUNNIVGEJNUVAK-FGYAAKKASA-N 2 1 340.552 3.260 20 0 EGADMP CCO[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](OCC)[C@@H](C)C2)C[C@H]1C ZINC000649991450 461502905 /nfs/dbraw/zinc/50/29/05/461502905.db2.gz BUNNIVGEJNUVAK-FGYAAKKASA-N 2 1 340.552 3.260 20 0 EGADMP CCO[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@H](OCC)[C@@H](C)C2)C[C@H]1C ZINC000649991450 461502913 /nfs/dbraw/zinc/50/29/13/461502913.db2.gz BUNNIVGEJNUVAK-FGYAAKKASA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CCC[NH2+]CC2)c1 ZINC000653111213 461507323 /nfs/dbraw/zinc/50/73/23/461507323.db2.gz JEPDOVORXYYQST-KRWDZBQOSA-N 2 1 340.471 3.383 20 0 EGADMP C[N@H+](CC[C@H]1Sc2ccccc2NC1=O)CC[C@H]1CCCC[NH+]1C ZINC000659958998 461515205 /nfs/dbraw/zinc/51/52/05/461515205.db2.gz BPCXGFATHHJQNX-CRAIPNDOSA-N 2 1 347.528 3.296 20 0 EGADMP C[NH+](CC[C@H]1Sc2ccccc2NC1=O)CC[C@H]1CCCC[N@@H+]1C ZINC000659958998 461515209 /nfs/dbraw/zinc/51/52/09/461515209.db2.gz BPCXGFATHHJQNX-CRAIPNDOSA-N 2 1 347.528 3.296 20 0 EGADMP C[NH+](CC[C@H]1Sc2ccccc2NC1=O)CC[C@H]1CCCC[N@H+]1C ZINC000659958998 461515214 /nfs/dbraw/zinc/51/52/14/461515214.db2.gz BPCXGFATHHJQNX-CRAIPNDOSA-N 2 1 347.528 3.296 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(F)c2ccccc12 ZINC000631067996 461518838 /nfs/dbraw/zinc/51/88/38/461518838.db2.gz JKDWSCFOYGTGMC-QGZVFWFLSA-N 2 1 330.447 3.305 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653168944 461533809 /nfs/dbraw/zinc/53/38/09/461533809.db2.gz UYTBAADWQVRFDA-AHRSYUTCSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000638706536 461545316 /nfs/dbraw/zinc/54/53/16/461545316.db2.gz GKLWBBRHDGOQPV-RBAQFSTRSA-N 2 1 327.516 3.427 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC[NH+]1C ZINC000638706536 461545319 /nfs/dbraw/zinc/54/53/19/461545319.db2.gz GKLWBBRHDGOQPV-RBAQFSTRSA-N 2 1 327.516 3.427 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC[NH+]1C ZINC000638706536 461545323 /nfs/dbraw/zinc/54/53/23/461545323.db2.gz GKLWBBRHDGOQPV-RBAQFSTRSA-N 2 1 327.516 3.427 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000663343830 461572147 /nfs/dbraw/zinc/57/21/47/461572147.db2.gz GMOLHMLAVHQREL-PXNSSMCTSA-N 2 1 328.500 3.264 20 0 EGADMP CCOc1cc(Cl)ccc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638780996 461575401 /nfs/dbraw/zinc/57/54/01/461575401.db2.gz ZDLPFUKPBSVJIR-UHFFFAOYSA-N 2 1 340.895 3.064 20 0 EGADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)O[C@H](C)C2 ZINC000663346649 461577654 /nfs/dbraw/zinc/57/76/54/461577654.db2.gz BTEUQLRNWMYIDP-WBVHZDCISA-N 2 1 344.499 3.230 20 0 EGADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)O[C@H](C)C2 ZINC000663346649 461577664 /nfs/dbraw/zinc/57/76/64/461577664.db2.gz BTEUQLRNWMYIDP-WBVHZDCISA-N 2 1 344.499 3.230 20 0 EGADMP CC[C@@H](C)C[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000647245146 461584332 /nfs/dbraw/zinc/58/43/32/461584332.db2.gz REAAHDHBELQXGT-UZLBHIALSA-N 2 1 336.495 3.219 20 0 EGADMP C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000650146426 461597989 /nfs/dbraw/zinc/59/79/89/461597989.db2.gz ARORQOQDAXDBJI-RCCFBDPRSA-N 2 1 343.515 3.226 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)[C@]12CCCO2 ZINC000638853131 461619457 /nfs/dbraw/zinc/61/94/57/461619457.db2.gz AEWPDEZMMLGWSK-NJDAHSKKSA-N 2 1 346.515 3.343 20 0 EGADMP Cc1cc(CO)cc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)[nH+]1 ZINC000663398608 461619707 /nfs/dbraw/zinc/61/97/07/461619707.db2.gz RKEHAOWZVFAYAB-UHFFFAOYSA-N 2 1 329.419 3.098 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000631194744 461634050 /nfs/dbraw/zinc/63/40/50/461634050.db2.gz PBSFBPXRINPJRI-MISYRCLQSA-N 2 1 328.500 3.446 20 0 EGADMP c1nc([C@@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C2CCCCC2)n[nH]1 ZINC000663466725 461654880 /nfs/dbraw/zinc/65/48/80/461654880.db2.gz XHGJHOWFXMPHAY-WMZOPIPTSA-N 2 1 331.508 3.138 20 0 EGADMP COc1cc(C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccn1 ZINC000638969819 461661689 /nfs/dbraw/zinc/66/16/89/461661689.db2.gz IUTMFDIXPQEFOO-JZXOWHBKSA-N 2 1 331.504 3.264 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000656257529 461680778 /nfs/dbraw/zinc/68/07/78/461680778.db2.gz KCTDMINFRYWGBT-UHFFFAOYSA-N 2 1 342.462 3.380 20 0 EGADMP CC[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC[C@H]1[NH3+] ZINC000647497642 461736716 /nfs/dbraw/zinc/73/67/16/461736716.db2.gz OIBWMEBZDGVXGT-GXTWGEPZSA-N 2 1 334.357 3.326 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC[C@H]1[NH3+] ZINC000647497642 461736722 /nfs/dbraw/zinc/73/67/22/461736722.db2.gz OIBWMEBZDGVXGT-GXTWGEPZSA-N 2 1 334.357 3.326 20 0 EGADMP Cc1cc(CO)cc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[nH+]1 ZINC000663659824 461739991 /nfs/dbraw/zinc/73/99/91/461739991.db2.gz HXEGQZQTSFDLGC-QAPCUYQASA-N 2 1 331.485 3.439 20 0 EGADMP Cc1cc(CO)cc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[nH+]1 ZINC000663659824 461739994 /nfs/dbraw/zinc/73/99/94/461739994.db2.gz HXEGQZQTSFDLGC-QAPCUYQASA-N 2 1 331.485 3.439 20 0 EGADMP CN(C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000666657051 461741922 /nfs/dbraw/zinc/74/19/22/461741922.db2.gz LMHSBBOFLSVIDK-GOSISDBHSA-N 2 1 344.503 3.277 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)NCC[NH2+]C1CC1)C1CCCCC1 ZINC000666657011 461742374 /nfs/dbraw/zinc/74/23/74/461742374.db2.gz FMCGDECBEXASDV-UHFFFAOYSA-N 2 1 344.503 3.325 20 0 EGADMP Brc1ccc([C@H]([NH2+]C2CC[NH2+]CC2)[C@@H]2CCCO2)cc1 ZINC000643496177 461745334 /nfs/dbraw/zinc/74/53/34/461745334.db2.gz KEDUUCCNMSJTDH-HOTGVXAUSA-N 2 1 339.277 3.011 20 0 EGADMP Fc1ccc(Br)c2c1CC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522667 461751926 /nfs/dbraw/zinc/75/19/26/461751926.db2.gz RJYPCEHRAMAQDG-QMTHXVAHSA-N 2 1 327.241 3.307 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC34CC[NH2+]CC4)[C@H]3CCC[C@H]32)cc1 ZINC000643536418 461756666 /nfs/dbraw/zinc/75/66/66/461756666.db2.gz QQVBUVNLCZQTIQ-PLACYPQZSA-N 3 1 339.527 3.161 20 0 EGADMP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC34CC[NH2+]CC4)[C@H]3CCC[C@H]32)cc1 ZINC000643536418 461756674 /nfs/dbraw/zinc/75/66/74/461756674.db2.gz QQVBUVNLCZQTIQ-PLACYPQZSA-N 2 1 339.527 3.161 20 0 EGADMP Fc1ccc(-n2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC000647542977 461757489 /nfs/dbraw/zinc/75/74/89/461757489.db2.gz FNODBJNBGBAGOU-MSOLQXFVSA-N 2 1 342.462 3.223 20 0 EGADMP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543922 461758930 /nfs/dbraw/zinc/75/89/30/461758930.db2.gz ULIJWMLVZHHYDQ-GJZGRUSLSA-N 2 1 330.501 3.350 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000653640461 461776475 /nfs/dbraw/zinc/77/64/75/461776475.db2.gz MJLXEPNVVNRSLX-IAGOWNOFSA-N 2 1 337.826 3.265 20 0 EGADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639180395 461788049 /nfs/dbraw/zinc/78/80/49/461788049.db2.gz WQAGZCMZNLGZMF-PBHICJAKSA-N 2 1 331.410 3.429 20 0 EGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639180395 461788057 /nfs/dbraw/zinc/78/80/57/461788057.db2.gz WQAGZCMZNLGZMF-PBHICJAKSA-N 2 1 331.410 3.429 20 0 EGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639180395 461788061 /nfs/dbraw/zinc/78/80/61/461788061.db2.gz WQAGZCMZNLGZMF-PBHICJAKSA-N 2 1 331.410 3.429 20 0 EGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639180395 461788069 /nfs/dbraw/zinc/78/80/69/461788069.db2.gz WQAGZCMZNLGZMF-PBHICJAKSA-N 2 1 331.410 3.429 20 0 EGADMP CO[C@@H]1CCC[NH+](CCC(C)CC[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000663758705 461792709 /nfs/dbraw/zinc/79/27/09/461792709.db2.gz ADUDPYSOGOQMRQ-WOJBJXKFSA-N 2 1 340.552 3.405 20 0 EGADMP Cc1ccc(OCCC[N@H+]2CCC[C@H](N3CCOCC3)CC2)cc1C ZINC000660472310 461799350 /nfs/dbraw/zinc/79/93/50/461799350.db2.gz JBNUDWUKQMTUIL-FQEVSTJZSA-N 2 1 346.515 3.259 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647786712 461834666 /nfs/dbraw/zinc/83/46/66/461834666.db2.gz XCTBRLBUWLQZDE-WQZMEWCLSA-N 3 1 327.516 3.190 20 0 EGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856686 461839284 /nfs/dbraw/zinc/83/92/84/461839284.db2.gz YTIHWGLYIZQXLG-LJQANCHMSA-N 2 1 340.515 3.461 20 0 EGADMP c1cc2c(c([C@@H]3CCC[N@@H+]3CCCC3CC[NH2+]CC3)c1)OCCO2 ZINC000647883921 461870430 /nfs/dbraw/zinc/87/04/30/461870430.db2.gz KDXWXVDUHVPCIH-SFHVURJKSA-N 2 1 330.472 3.375 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000660621364 461884750 /nfs/dbraw/zinc/88/47/50/461884750.db2.gz MJBXPSXNHYDBLV-NVXWUHKLSA-N 2 1 342.936 3.208 20 0 EGADMP CC1(C)C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2cc(N)ccc2O1 ZINC000666959055 461889216 /nfs/dbraw/zinc/88/92/16/461889216.db2.gz PWKYUJPEUVHJIP-SFHVURJKSA-N 2 1 329.488 3.335 20 0 EGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)o1 ZINC000656781948 461892539 /nfs/dbraw/zinc/89/25/39/461892539.db2.gz APRUBDIJBIQAID-INIZCTEOSA-N 2 1 328.460 3.190 20 0 EGADMP CC[C@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000647934425 461892810 /nfs/dbraw/zinc/89/28/10/461892810.db2.gz FCVCDTUJQGYKLV-AZUAARDMSA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000647934425 461892815 /nfs/dbraw/zinc/89/28/15/461892815.db2.gz FCVCDTUJQGYKLV-AZUAARDMSA-N 2 1 325.456 3.220 20 0 EGADMP c1nc([C@H]2CCCO2)sc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784051 461894701 /nfs/dbraw/zinc/89/47/01/461894701.db2.gz YAKISYGJQYTKSL-NVXWUHKLSA-N 2 1 335.517 3.206 20 0 EGADMP COc1cc(C)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000656785983 461895998 /nfs/dbraw/zinc/89/59/98/461895998.db2.gz OUNMMPAHJUEXBJ-QGZVFWFLSA-N 2 1 332.488 3.224 20 0 EGADMP CCCOc1c(Cl)cc(C[NH2+]CC2([NH3+])CCCC2)cc1OC ZINC000656788111 461897970 /nfs/dbraw/zinc/89/79/70/461897970.db2.gz BWCCWKUTKUYLAK-UHFFFAOYSA-N 2 1 326.868 3.499 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1Cl ZINC000650706113 461899120 /nfs/dbraw/zinc/89/91/20/461899120.db2.gz DJBXJNPKPAATAU-MPGHIAIKSA-N 2 1 338.879 3.067 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1Cl ZINC000650706114 461899544 /nfs/dbraw/zinc/89/95/44/461899544.db2.gz DJBXJNPKPAATAU-RLFYNMQTSA-N 2 1 338.879 3.067 20 0 EGADMP CCOc1cc(C[NH2+]CC2([NH3+])CCCC2)ccc1OCC(F)(F)F ZINC000656788968 461899782 /nfs/dbraw/zinc/89/97/82/461899782.db2.gz HHSOHOJEMUYTNQ-UHFFFAOYSA-N 2 1 346.393 3.388 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3F)C2)C1 ZINC000650706542 461899960 /nfs/dbraw/zinc/89/99/60/461899960.db2.gz NDHBBRMYKNFGKR-XNRPHZJLSA-N 2 1 326.843 3.197 20 0 EGADMP CCCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1OC ZINC000650708660 461903847 /nfs/dbraw/zinc/90/38/47/461903847.db2.gz IPRAHZYTKQXXKT-PXNSSMCTSA-N 2 1 332.488 3.435 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(Cl)c1 ZINC000650722176 461914938 /nfs/dbraw/zinc/91/49/38/461914938.db2.gz MUNZLJOGQLUINX-OLMNPRSZSA-N 2 1 338.879 3.209 20 0 EGADMP CC(C)(C)c1ncc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650723574 461916108 /nfs/dbraw/zinc/91/61/08/461916108.db2.gz QIEVEBUDCWCJML-NUEKZKHPSA-N 2 1 337.533 3.301 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000650723899 461916343 /nfs/dbraw/zinc/91/63/43/461916343.db2.gz VRCNEKOUQPZEDR-BHIYHBOVSA-N 2 1 341.455 3.202 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975696 461916574 /nfs/dbraw/zinc/91/65/74/461916574.db2.gz DSMCKQAFRHWECB-PMPSAXMXSA-N 2 1 349.906 3.379 20 0 EGADMP COc1ccc(OCCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975890 461916666 /nfs/dbraw/zinc/91/66/66/461916666.db2.gz HHHWLLWQABMRNI-QZTJIDSGSA-N 2 1 332.488 3.176 20 0 EGADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000647976297 461918285 /nfs/dbraw/zinc/91/82/85/461918285.db2.gz MRZWJDVUHIKFNH-CVEARBPZSA-N 2 1 349.906 3.380 20 0 EGADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000647976508 461918685 /nfs/dbraw/zinc/91/86/85/461918685.db2.gz POXDCDIQEQYEES-CVEARBPZSA-N 2 1 349.906 3.380 20 0 EGADMP c1cc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)cs1 ZINC000647976960 461919384 /nfs/dbraw/zinc/91/93/84/461919384.db2.gz WJHXPMHLIVCCTK-UONOGXRCSA-N 2 1 332.473 3.010 20 0 EGADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977079 461919462 /nfs/dbraw/zinc/91/94/62/461919462.db2.gz XRERDIUIJVBGKZ-RTBURBONSA-N 2 1 344.499 3.500 20 0 EGADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976409 461919621 /nfs/dbraw/zinc/91/96/21/461919621.db2.gz NZISQIOBFCMWLB-YESZJQIVSA-N 2 1 347.478 3.173 20 0 EGADMP c1ccc(CCOCCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647978268 461920274 /nfs/dbraw/zinc/92/02/74/461920274.db2.gz PDUYKVLTKQZJMO-LEWJYISDSA-N 2 1 330.516 3.347 20 0 EGADMP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978156 461920936 /nfs/dbraw/zinc/92/09/36/461920936.db2.gz NJKUNPZFDWCBMQ-FGTMMUONSA-N 2 1 339.487 3.040 20 0 EGADMP Cc1sc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C)c1C ZINC000647978332 461921019 /nfs/dbraw/zinc/92/10/19/461921019.db2.gz PZKOVXZSZGFEOH-IRXDYDNUSA-N 2 1 349.544 3.323 20 0 EGADMP Brc1cccc(C[C@H]2CCCC[N@@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647992960 461928310 /nfs/dbraw/zinc/92/83/10/461928310.db2.gz SYCKXRSGOIRFTJ-DOTOQJQBSA-N 2 1 337.305 3.456 20 0 EGADMP Brc1cccc(C[C@H]2CCCC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647992960 461928315 /nfs/dbraw/zinc/92/83/15/461928315.db2.gz SYCKXRSGOIRFTJ-DOTOQJQBSA-N 2 1 337.305 3.456 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC3CC[NH2+]CC3)[C@H]3CCC[C@H]32)cc1 ZINC000650761802 461940219 /nfs/dbraw/zinc/94/02/19/461940219.db2.gz KXODQXDGNVLUDQ-BHIFYINESA-N 3 1 341.543 3.409 20 0 EGADMP c1ccc(CN2CC[C@H]([NH2+]CCC3CC[NH2+]CC3)[C@H]3CCC[C@H]32)cc1 ZINC000650761802 461940220 /nfs/dbraw/zinc/94/02/20/461940220.db2.gz KXODQXDGNVLUDQ-BHIFYINESA-N 2 1 341.543 3.409 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000650763285 461941392 /nfs/dbraw/zinc/94/13/92/461941392.db2.gz WYDXEDQJAHXAFY-BDTNDASRSA-N 3 1 341.543 3.266 20 0 EGADMP CC(C)COC[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000644522328 461969363 /nfs/dbraw/zinc/96/93/63/461969363.db2.gz NSSIVZMVOBNAAY-GHTZIAJQSA-N 2 1 348.531 3.184 20 0 EGADMP CC(C)COC[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000644522331 461969627 /nfs/dbraw/zinc/96/96/27/461969627.db2.gz NSSIVZMVOBNAAY-WIYYLYMNSA-N 2 1 348.531 3.184 20 0 EGADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000657338201 462056520 /nfs/dbraw/zinc/05/65/20/462056520.db2.gz IWKFMLATOORBKT-OAHLLOKOSA-N 2 1 344.528 3.361 20 0 EGADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000657338201 462056525 /nfs/dbraw/zinc/05/65/25/462056525.db2.gz IWKFMLATOORBKT-OAHLLOKOSA-N 2 1 344.528 3.361 20 0 EGADMP CCc1cccc2cc(C[NH2+]C3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)oc21 ZINC000657401775 462099578 /nfs/dbraw/zinc/09/95/78/462099578.db2.gz XPRPSXSOKGLPDN-UXHICEINSA-N 2 1 342.483 3.463 20 0 EGADMP OCCOCC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CCC1 ZINC000661098296 462102398 /nfs/dbraw/zinc/10/23/98/462102398.db2.gz AQALFZRAGCVIAL-UHFFFAOYSA-N 2 1 346.515 3.036 20 0 EGADMP CC(C)n1ccnc1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000657459974 462137641 /nfs/dbraw/zinc/13/76/41/462137641.db2.gz MZLFNTPFAMFKSC-UHFFFAOYSA-N 2 1 342.487 3.227 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000654309119 462151338 /nfs/dbraw/zinc/15/13/38/462151338.db2.gz VSWUKDCYVBKPMB-VQTJNVASSA-N 2 1 343.515 3.275 20 0 EGADMP Cc1ncc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1C ZINC000667616003 462174939 /nfs/dbraw/zinc/17/49/39/462174939.db2.gz FYGFCZMNWROFFO-OAQYLSRUSA-N 2 1 338.499 3.217 20 0 EGADMP Cc1[nH+]cc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1C ZINC000667616003 462174944 /nfs/dbraw/zinc/17/49/44/462174944.db2.gz FYGFCZMNWROFFO-OAQYLSRUSA-N 2 1 338.499 3.217 20 0 EGADMP Cc1[nH+]cc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1C ZINC000667616003 462174948 /nfs/dbraw/zinc/17/49/48/462174948.db2.gz FYGFCZMNWROFFO-OAQYLSRUSA-N 2 1 338.499 3.217 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000667671000 462204837 /nfs/dbraw/zinc/20/48/37/462204837.db2.gz DYOCVJUYPRQFOJ-UYAOXDASSA-N 2 1 346.515 3.408 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000667671000 462204845 /nfs/dbraw/zinc/20/48/45/462204845.db2.gz DYOCVJUYPRQFOJ-UYAOXDASSA-N 2 1 346.515 3.408 20 0 EGADMP COc1cccc2c1C[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000648769871 462269827 /nfs/dbraw/zinc/26/98/27/462269827.db2.gz HBELKXMRVKQPBO-UHFFFAOYSA-N 2 1 340.467 3.194 20 0 EGADMP C[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000657843942 462293981 /nfs/dbraw/zinc/29/39/81/462293981.db2.gz SXEBTOQAGUQDME-KRWDZBQOSA-N 2 1 341.503 3.221 20 0 EGADMP CCCN(C(=O)c1cccc(C[NH+]2CCCCC2)c1)[C@H]1CC[N@@H+](C)C1 ZINC000648995222 462362575 /nfs/dbraw/zinc/36/25/75/462362575.db2.gz OTPNQPROQUCVEB-FQEVSTJZSA-N 2 1 343.515 3.229 20 0 EGADMP [NH3+]C1(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000665248033 462366954 /nfs/dbraw/zinc/36/69/54/462366954.db2.gz NTMCGROYDKCQGU-VAMGGRTRSA-N 2 1 327.516 3.148 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000658092970 462379955 /nfs/dbraw/zinc/37/99/55/462379955.db2.gz SOVIMQTYJRLPPY-RLLQIKCJSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092970 462379958 /nfs/dbraw/zinc/37/99/58/462379958.db2.gz SOVIMQTYJRLPPY-RLLQIKCJSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092970 462379962 /nfs/dbraw/zinc/37/99/62/462379962.db2.gz SOVIMQTYJRLPPY-RLLQIKCJSA-N 2 1 329.532 3.359 20 0 EGADMP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294820 462461695 /nfs/dbraw/zinc/46/16/95/462461695.db2.gz JUTMOLJDHUDHTN-UZLBHIALSA-N 2 1 339.483 3.388 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCC(C)(C)[NH3+])cc2)C1 ZINC000649288516 462468043 /nfs/dbraw/zinc/46/80/43/462468043.db2.gz WKKNCKIUKKTBBH-INIZCTEOSA-N 2 1 331.504 3.052 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)[C@@H](C)[NH3+] ZINC000649378513 462492836 /nfs/dbraw/zinc/49/28/36/462492836.db2.gz CHDLXXIVLIMJPZ-LMMKCTJWSA-N 2 1 337.552 3.109 20 0 EGADMP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccsc4)cc3)CC2)C1 ZINC000662151773 462531919 /nfs/dbraw/zinc/53/19/19/462531919.db2.gz LBEMYRMPKPUKNR-HXUWFJFHSA-N 2 1 342.508 3.446 20 0 EGADMP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-c4ccsc4)cc3)CC2)C1 ZINC000662151773 462531922 /nfs/dbraw/zinc/53/19/22/462531922.db2.gz LBEMYRMPKPUKNR-HXUWFJFHSA-N 2 1 342.508 3.446 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cnc2ccsc2c1 ZINC000133069763 533810360 /nfs/dbraw/zinc/81/03/60/533810360.db2.gz QFLHJAGTTAOPAM-LSDHHAIUSA-N 2 1 345.512 3.448 20 0 EGADMP C[C@@H](C[NH+]1CCN(CC[NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC000189573289 533844328 /nfs/dbraw/zinc/84/43/28/533844328.db2.gz QNOWSKAZUALJRA-KRWDZBQOSA-N 2 1 335.923 3.157 20 0 EGADMP COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)o1 ZINC000132348816 534286090 /nfs/dbraw/zinc/28/60/90/534286090.db2.gz NYGJGSFNSUYGEO-HNNXBMFYSA-N 2 1 342.439 3.117 20 0 EGADMP COC(=O)c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)o1 ZINC000132348816 534286093 /nfs/dbraw/zinc/28/60/93/534286093.db2.gz NYGJGSFNSUYGEO-HNNXBMFYSA-N 2 1 342.439 3.117 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186491240 534916252 /nfs/dbraw/zinc/91/62/52/534916252.db2.gz WPYRKSHLQNXXKL-APWZRJJASA-N 2 1 342.487 3.204 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)[C@H](C)C1 ZINC000174628783 527882330 /nfs/dbraw/zinc/88/23/30/527882330.db2.gz UXSFNEGOCQWCJH-CJNGLKHVSA-N 2 1 330.394 3.448 20 0 EGADMP CC[N@@H+](CC(C)C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000153715499 527963190 /nfs/dbraw/zinc/96/31/90/527963190.db2.gz IOCIOGYXVFKBLU-GOSISDBHSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187330540 527973907 /nfs/dbraw/zinc/97/39/07/527973907.db2.gz XGJJAGJMPLJZEN-SFHVURJKSA-N 2 1 343.515 3.053 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@H](OC)c2ccccc2)[C@H](C)C1 ZINC000131437540 528664614 /nfs/dbraw/zinc/66/46/14/528664614.db2.gz SCSKJTSWNSCFIY-RLLQIKCJSA-N 2 1 334.504 3.101 20 0 EGADMP CC[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000159281883 528987034 /nfs/dbraw/zinc/98/70/34/528987034.db2.gz FTHISSJWUXPBTA-UHFFFAOYSA-N 2 1 335.923 3.378 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000154552531 529143454 /nfs/dbraw/zinc/14/34/54/529143454.db2.gz KLNLLWBJDNIAOL-JOCHJYFZSA-N 2 1 343.559 3.323 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000154525457 529143609 /nfs/dbraw/zinc/14/36/09/529143609.db2.gz NNTPMAZYCIGFAT-OAQYLSRUSA-N 2 1 329.532 3.461 20 0 EGADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc2c(c1)OCCO2 ZINC000164621164 529160934 /nfs/dbraw/zinc/16/09/34/529160934.db2.gz MQTKAQJGIXDQTO-QGZVFWFLSA-N 2 1 329.444 3.484 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)CCCc2nc(-c3ccccc3)no2)CC1 ZINC000266016345 535152542 /nfs/dbraw/zinc/15/25/42/535152542.db2.gz UYLOJFWFVRVKBL-UHFFFAOYSA-N 2 1 342.487 3.474 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H]3C3CCOCC3)sc2C1 ZINC000346283275 535252638 /nfs/dbraw/zinc/25/26/38/535252638.db2.gz NWUKEWRCBBZTSV-QGZVFWFLSA-N 2 1 349.544 3.301 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H]3C3CCOCC3)sc2C1 ZINC000346283275 535252640 /nfs/dbraw/zinc/25/26/40/535252640.db2.gz NWUKEWRCBBZTSV-QGZVFWFLSA-N 2 1 349.544 3.301 20 0 EGADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H]3C3CCOCC3)sc2C1 ZINC000346283275 535252645 /nfs/dbraw/zinc/25/26/45/535252645.db2.gz NWUKEWRCBBZTSV-QGZVFWFLSA-N 2 1 349.544 3.301 20 0 EGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@H]3C3CCOCC3)sc2C1 ZINC000346283275 535252650 /nfs/dbraw/zinc/25/26/50/535252650.db2.gz NWUKEWRCBBZTSV-QGZVFWFLSA-N 2 1 349.544 3.301 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192682872 535557062 /nfs/dbraw/zinc/55/70/62/535557062.db2.gz PTBMROJWNZZUIU-IHWFROFDSA-N 2 1 345.531 3.122 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192682872 535557066 /nfs/dbraw/zinc/55/70/66/535557066.db2.gz PTBMROJWNZZUIU-IHWFROFDSA-N 3 1 345.531 3.122 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192682872 535557071 /nfs/dbraw/zinc/55/70/71/535557071.db2.gz PTBMROJWNZZUIU-IHWFROFDSA-N 3 1 345.531 3.122 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000344849856 535592801 /nfs/dbraw/zinc/59/28/01/535592801.db2.gz VNMISSSHMXWFIL-MJGOQNOKSA-N 2 1 341.503 3.462 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(C)C)oc1C ZINC000351809914 535595760 /nfs/dbraw/zinc/59/57/60/535595760.db2.gz MKISFGONPALFMC-KRWDZBQOSA-N 2 1 349.519 3.200 20 0 EGADMP CCn1nccc1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000350552744 535866949 /nfs/dbraw/zinc/86/69/49/535866949.db2.gz FABVUMSYAFPERB-ICSRJNTNSA-N 2 1 326.488 3.075 20 0 EGADMP CCc1noc(-c2ccc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)n1 ZINC000089551220 546644546 /nfs/dbraw/zinc/64/45/46/546644546.db2.gz MWWOVCCNYBIKAQ-ZWKOTPCHSA-N 2 1 340.471 3.058 20 0 EGADMP Cc1noc([C@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092821656 546679609 /nfs/dbraw/zinc/67/96/09/546679609.db2.gz YEBSLFSGNISHOD-AWEZNQCLSA-N 2 1 329.448 3.073 20 0 EGADMP Cc1noc([C@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092821656 546679612 /nfs/dbraw/zinc/67/96/12/546679612.db2.gz YEBSLFSGNISHOD-AWEZNQCLSA-N 2 1 329.448 3.073 20 0 EGADMP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)ccc1OC(C)C ZINC000105443802 546694597 /nfs/dbraw/zinc/69/45/97/546694597.db2.gz DCECMFQNRQXCEM-OAHLLOKOSA-N 2 1 331.460 3.413 20 0 EGADMP CN(C)c1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000124691971 546747177 /nfs/dbraw/zinc/74/71/77/546747177.db2.gz HYPLREUXZUFEKX-HXUWFJFHSA-N 2 1 338.499 3.102 20 0 EGADMP CN(C)c1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000124691971 546747187 /nfs/dbraw/zinc/74/71/87/546747187.db2.gz HYPLREUXZUFEKX-HXUWFJFHSA-N 2 1 338.499 3.102 20 0 EGADMP CN(C)c1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000124691971 546747191 /nfs/dbraw/zinc/74/71/91/546747191.db2.gz HYPLREUXZUFEKX-HXUWFJFHSA-N 2 1 338.499 3.102 20 0 EGADMP CN(C)c1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000124691971 546747196 /nfs/dbraw/zinc/74/71/96/546747196.db2.gz HYPLREUXZUFEKX-HXUWFJFHSA-N 2 1 338.499 3.102 20 0 EGADMP CCC[NH+]1CCC(Nc2ccc(C[NH+]3CCN(CC)CC3)cc2)CC1 ZINC000129792628 546790193 /nfs/dbraw/zinc/79/01/93/546790193.db2.gz NOQQJMYJFLIICE-UHFFFAOYSA-N 2 1 344.547 3.110 20 0 EGADMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000131444550 546805779 /nfs/dbraw/zinc/80/57/79/546805779.db2.gz QKGBEPYYOBEHCX-KRWDZBQOSA-N 2 1 338.904 3.471 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166190694 546988289 /nfs/dbraw/zinc/98/82/89/546988289.db2.gz BUJHVWVGJQQOPQ-VQTJNVASSA-N 3 1 345.531 3.124 20 0 EGADMP CC[NH+](CC)CCOc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166190694 546988291 /nfs/dbraw/zinc/98/82/91/546988291.db2.gz BUJHVWVGJQQOPQ-VQTJNVASSA-N 2 1 345.531 3.124 20 0 EGADMP CC[NH+](CC)CCOc1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166190694 546988295 /nfs/dbraw/zinc/98/82/95/546988295.db2.gz BUJHVWVGJQQOPQ-VQTJNVASSA-N 2 1 345.531 3.124 20 0 EGADMP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166456857 546990372 /nfs/dbraw/zinc/99/03/72/546990372.db2.gz RYTYMNCOMLEZHL-IXDOHACOSA-N 2 1 349.906 3.144 20 0 EGADMP Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC2 ZINC000174983042 547008363 /nfs/dbraw/zinc/00/83/63/547008363.db2.gz GZWVTXYMNUIIDV-OAQYLSRUSA-N 2 1 340.442 3.435 20 0 EGADMP CCc1cc(NCc2ccc(OCCC[NH+](C)C)cc2)nc(C)[nH+]1 ZINC000180434213 547056247 /nfs/dbraw/zinc/05/62/47/547056247.db2.gz HYODQHPTRPVAPB-UHFFFAOYSA-N 2 1 328.460 3.290 20 0 EGADMP Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)s1 ZINC000182242381 547078568 /nfs/dbraw/zinc/07/85/68/547078568.db2.gz DIXXTSDWHYONTI-RDTXWAMCSA-N 2 1 345.512 3.259 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(Br)c3cccnc23)CC1 ZINC000272240529 547345640 /nfs/dbraw/zinc/34/56/40/547345640.db2.gz GWEQSMMRUSXNDE-UHFFFAOYSA-N 2 1 346.272 3.349 20 0 EGADMP C[C@H]1C[N@@H+](CCCNCc2cscc2Br)CCCO1 ZINC000285842781 547390710 /nfs/dbraw/zinc/39/07/10/547390710.db2.gz HQDBCHAPPRTXQR-LBPRGKRZSA-N 2 1 347.322 3.101 20 0 EGADMP Cc1nccn1-c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000339066263 547568161 /nfs/dbraw/zinc/56/81/61/547568161.db2.gz JMSJOXDGMWICSQ-IRXDYDNUSA-N 2 1 328.435 3.036 20 0 EGADMP Cc1nccn1-c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000339066263 547568165 /nfs/dbraw/zinc/56/81/65/547568165.db2.gz JMSJOXDGMWICSQ-IRXDYDNUSA-N 2 1 328.435 3.036 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000339072788 547568912 /nfs/dbraw/zinc/56/89/12/547568912.db2.gz XTSDZLCVIUMSIZ-ACRUOGEOSA-N 2 1 329.532 3.156 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000348112207 547628008 /nfs/dbraw/zinc/62/80/08/547628008.db2.gz WFURPTOTNGGDPN-RTWAWAEBSA-N 2 1 327.516 3.102 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000352882850 547689649 /nfs/dbraw/zinc/68/96/49/547689649.db2.gz VATPRVIFRXUIQK-UHFFFAOYSA-N 2 1 331.504 3.021 20 0 EGADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000354293457 547704435 /nfs/dbraw/zinc/70/44/35/547704435.db2.gz KICZEYJSJWRIRO-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000354293457 547704440 /nfs/dbraw/zinc/70/44/40/547704440.db2.gz KICZEYJSJWRIRO-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000398063580 547835782 /nfs/dbraw/zinc/83/57/82/547835782.db2.gz WZFADLRLDDQNLG-LMMKCTJWSA-N 2 1 346.515 3.464 20 0 EGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C1CCC(C(F)(F)F)CC1 ZINC000442891833 547917243 /nfs/dbraw/zinc/91/72/43/547917243.db2.gz SXTGQUMBULDSQG-FHERZECASA-N 2 1 349.485 3.359 20 0 EGADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CCC(C(F)(F)F)CC1 ZINC000474805342 547954366 /nfs/dbraw/zinc/95/43/66/547954366.db2.gz CEEWFDQSHOETCT-NFOMZHRRSA-N 2 1 336.442 3.444 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000535280325 548053130 /nfs/dbraw/zinc/05/31/30/548053130.db2.gz JQGZFFCXIALXFZ-IBGZPJMESA-N 2 1 331.504 3.192 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000535280325 548053133 /nfs/dbraw/zinc/05/31/33/548053133.db2.gz JQGZFFCXIALXFZ-IBGZPJMESA-N 2 1 331.504 3.192 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Br)C1 ZINC000673600340 548579952 /nfs/dbraw/zinc/57/99/52/548579952.db2.gz DCXOEKPNNDSPFY-OLZOCXBDSA-N 2 1 343.284 3.451 20 0 EGADMP CC[C@H](Cc1cccs1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000675898507 549001112 /nfs/dbraw/zinc/00/11/12/549001112.db2.gz SBOTZUFMADXQMO-QUCCMNQESA-N 2 1 344.524 3.296 20 0 EGADMP CC[C@H](Cc1cccs1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000675898507 549001117 /nfs/dbraw/zinc/00/11/17/549001117.db2.gz SBOTZUFMADXQMO-QUCCMNQESA-N 2 1 344.524 3.296 20 0 EGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000677239946 549234615 /nfs/dbraw/zinc/23/46/15/549234615.db2.gz AKLYJXBQJDUUGH-FHWLQOOXSA-N 2 1 331.479 3.319 20 0 EGADMP Clc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000677237977 549235100 /nfs/dbraw/zinc/23/51/00/549235100.db2.gz SPORKHUWCBIOHI-SZVBFZGTSA-N 2 1 333.907 3.383 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ncccc2C(F)(F)F)C[C@H](C)O1 ZINC000677965003 549367048 /nfs/dbraw/zinc/36/70/48/549367048.db2.gz SYZHRYGCOFDDFG-OKILXGFUSA-N 2 1 345.409 3.079 20 0 EGADMP CCn1cc(C[N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000678266517 549450865 /nfs/dbraw/zinc/45/08/65/549450865.db2.gz IZBZLTLEEDUJRR-UHFFFAOYSA-N 2 1 342.487 3.010 20 0 EGADMP CCn1cc(C[N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000678266517 549450866 /nfs/dbraw/zinc/45/08/66/549450866.db2.gz IZBZLTLEEDUJRR-UHFFFAOYSA-N 2 1 342.487 3.010 20 0 EGADMP CCCOc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000678718781 549547575 /nfs/dbraw/zinc/54/75/75/549547575.db2.gz CMMULRHEYCMNGS-FQEVSTJZSA-N 2 1 345.531 3.076 20 0 EGADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000678769649 549557232 /nfs/dbraw/zinc/55/72/32/549557232.db2.gz YLLBBDODTZLSMC-UTKZUKDTSA-N 2 1 329.532 3.173 20 0 EGADMP Fc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000678772247 549557842 /nfs/dbraw/zinc/55/78/42/549557842.db2.gz VXAHVOADUOLYDX-UYAOXDASSA-N 2 1 332.463 3.436 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1(CC)CC ZINC000678926972 549596846 /nfs/dbraw/zinc/59/68/46/549596846.db2.gz DXVBHRVRCCPXJG-IPMKNSEASA-N 2 1 338.536 3.203 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000679113525 549638150 /nfs/dbraw/zinc/63/81/50/549638150.db2.gz WYPKAESCMXNYPO-FQEVSTJZSA-N 2 1 332.488 3.018 20 0 EGADMP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000679577475 549738108 /nfs/dbraw/zinc/73/81/08/549738108.db2.gz QXKVQCDPTDWYEY-MAUKXSAKSA-N 2 1 339.487 3.370 20 0 EGADMP CO[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000680004056 549805002 /nfs/dbraw/zinc/80/50/02/549805002.db2.gz WQKJSZJCDAYNMH-LJQANCHMSA-N 2 1 332.488 3.162 20 0 EGADMP Cn1c2ccc(F)cc2[nH+]c1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000680961546 549933866 /nfs/dbraw/zinc/93/38/66/549933866.db2.gz KQBBGHZCMQNGGE-UHFFFAOYSA-N 2 1 342.418 3.265 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000681484357 550002438 /nfs/dbraw/zinc/00/24/38/550002438.db2.gz HXJWSSDWXFMYOZ-GOSISDBHSA-N 2 1 337.471 3.344 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000681484357 550002441 /nfs/dbraw/zinc/00/24/41/550002441.db2.gz HXJWSSDWXFMYOZ-GOSISDBHSA-N 2 1 337.471 3.344 20 0 EGADMP C[C@H](C[NH2+][C@@H](C)c1ccc(Br)cn1)C[NH+]1CCCC1 ZINC000684550988 550341385 /nfs/dbraw/zinc/34/13/85/550341385.db2.gz OMWNEXXMUALJHI-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP C[N@@H+](Cc1cc(F)cc(Cl)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457246 550418956 /nfs/dbraw/zinc/41/89/56/550418956.db2.gz OJZGWIPJXLTPRE-GOSISDBHSA-N 2 1 339.886 3.079 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NCCn1cc[nH+]c1C(C)C)c1ccccc1 ZINC000729527421 574868361 /nfs/dbraw/zinc/86/83/61/574868361.db2.gz NJDFTEICEKQRIH-SFHVURJKSA-N 2 1 342.487 3.206 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@](C)(O)c2ccccc2)C1 ZINC000733795976 575396757 /nfs/dbraw/zinc/39/67/57/575396757.db2.gz WLPMAKDIGNVROB-SFHLNBCPSA-N 2 1 330.516 3.481 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000733795976 575396758 /nfs/dbraw/zinc/39/67/58/575396758.db2.gz WLPMAKDIGNVROB-SFHLNBCPSA-N 2 1 330.516 3.481 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000733795976 575396760 /nfs/dbraw/zinc/39/67/60/575396760.db2.gz WLPMAKDIGNVROB-SFHLNBCPSA-N 2 1 330.516 3.481 20 0 EGADMP Cc1ccc(N2CCC[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C2=O)cc1 ZINC000742706583 576793733 /nfs/dbraw/zinc/79/37/33/576793733.db2.gz NMYDNOAYBGULEM-RTBURBONSA-N 2 1 345.531 3.446 20 0 EGADMP Cc1ccc2c(C[N@H+](CCC[NH3+])Cc3ccccc3)cc(=O)oc2c1 ZINC000305890093 1297065735 /nfs/dbraw/zinc/06/57/35/1297065735.db2.gz IMPWDJZAGQWASW-UHFFFAOYSA-N 2 1 336.435 3.452 20 0 EGADMP Cc1ccc2c(C[N@@H+](CCC[NH3+])Cc3ccccc3)cc(=O)oc2c1 ZINC000305890093 1297065749 /nfs/dbraw/zinc/06/57/49/1297065749.db2.gz IMPWDJZAGQWASW-UHFFFAOYSA-N 2 1 336.435 3.452 20 0 EGADMP CN(Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000688033235 1298121808 /nfs/dbraw/zinc/12/18/08/1298121808.db2.gz QCYVTWRMAXPKDQ-GOSISDBHSA-N 2 1 341.524 3.100 20 0 EGADMP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000688033235 1298121812 /nfs/dbraw/zinc/12/18/12/1298121812.db2.gz QCYVTWRMAXPKDQ-GOSISDBHSA-N 2 1 341.524 3.100 20 0 EGADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000688033235 1298121820 /nfs/dbraw/zinc/12/18/20/1298121820.db2.gz QCYVTWRMAXPKDQ-GOSISDBHSA-N 2 1 341.524 3.100 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCCCCCNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000698068318 1298167999 /nfs/dbraw/zinc/16/79/99/1298167999.db2.gz JOMIGMXQHKXRNQ-HOTGVXAUSA-N 2 1 327.513 3.144 20 0 EGADMP CC(C)Oc1ccccc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067453120 1292161220 /nfs/dbraw/zinc/16/12/20/1292161220.db2.gz SMWYIEUUBDZWJX-HDICACEKSA-N 2 1 334.504 3.453 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1OC(F)F ZINC000069751864 1292248915 /nfs/dbraw/zinc/24/89/15/1292248915.db2.gz YZJNTMOMYPHCAO-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP COc1cccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1OC(F)F ZINC000069751836 1292249394 /nfs/dbraw/zinc/24/93/94/1292249394.db2.gz JNBNYERYXRKMPT-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC000073034090 1292302117 /nfs/dbraw/zinc/30/21/17/1292302117.db2.gz PTWQQGDRKILOFN-ICSRJNTNSA-N 2 1 343.515 3.204 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)cc(=O)oc2c1 ZINC000081632472 1292669031 /nfs/dbraw/zinc/66/90/31/1292669031.db2.gz PXEBLFCZMYRRCY-QGZVFWFLSA-N 2 1 340.467 3.265 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)cc(=O)oc2c1 ZINC000081632472 1292669043 /nfs/dbraw/zinc/66/90/43/1292669043.db2.gz PXEBLFCZMYRRCY-QGZVFWFLSA-N 2 1 340.467 3.265 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)cc(=O)oc2c1 ZINC000081632472 1292669055 /nfs/dbraw/zinc/66/90/55/1292669055.db2.gz PXEBLFCZMYRRCY-QGZVFWFLSA-N 2 1 340.467 3.265 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)cc(=O)oc2c1 ZINC000081632472 1292669067 /nfs/dbraw/zinc/66/90/67/1292669067.db2.gz PXEBLFCZMYRRCY-QGZVFWFLSA-N 2 1 340.467 3.265 20 0 EGADMP CCC(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000089157087 1292758808 /nfs/dbraw/zinc/75/88/08/1292758808.db2.gz ATJKKXFVFPINIB-BEFAXECRSA-N 2 1 349.544 3.122 20 0 EGADMP CCC(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000089157087 1292758814 /nfs/dbraw/zinc/75/88/14/1292758814.db2.gz ATJKKXFVFPINIB-BEFAXECRSA-N 2 1 349.544 3.122 20 0 EGADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103173638 1292996325 /nfs/dbraw/zinc/99/63/25/1292996325.db2.gz SPSXTBQMANJZLQ-GOSISDBHSA-N 2 1 340.515 3.361 20 0 EGADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000103173638 1292996333 /nfs/dbraw/zinc/99/63/33/1292996333.db2.gz SPSXTBQMANJZLQ-GOSISDBHSA-N 2 1 340.515 3.361 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1nc(Br)cs1 ZINC000834908106 1293173123 /nfs/dbraw/zinc/17/31/23/1293173123.db2.gz GXGMNLYRLDQHOC-JTQLQIEISA-N 2 1 332.311 3.431 20 0 EGADMP CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000120340913 1293316232 /nfs/dbraw/zinc/31/62/32/1293316232.db2.gz JYYALEWMALVCTB-BBWFWOEESA-N 2 1 341.540 3.390 20 0 EGADMP CC[N@H+](CC[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)C(C)C ZINC000156619667 1294152557 /nfs/dbraw/zinc/15/25/57/1294152557.db2.gz ONAOVTJZESMSLZ-UHFFFAOYSA-N 2 1 332.536 3.041 20 0 EGADMP CC[N@@H+](CC[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)C(C)C ZINC000156619667 1294152558 /nfs/dbraw/zinc/15/25/58/1294152558.db2.gz ONAOVTJZESMSLZ-UHFFFAOYSA-N 2 1 332.536 3.041 20 0 EGADMP CC(C)[NH+](CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000177549698 1294676820 /nfs/dbraw/zinc/67/68/20/1294676820.db2.gz RGDIMECJFJLEFQ-UHFFFAOYSA-N 2 1 341.540 3.342 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(SC(F)F)cc2)CC1 ZINC000180933233 1294926994 /nfs/dbraw/zinc/92/69/94/1294926994.db2.gz XZSLYYCBIKPQKM-UHFFFAOYSA-N 2 1 343.487 3.119 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749328 1295283732 /nfs/dbraw/zinc/28/37/32/1295283732.db2.gz PMJZVDIELTZMNA-OHNRDTAOSA-N 2 1 338.442 3.241 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186390208 1295322548 /nfs/dbraw/zinc/32/25/48/1295322548.db2.gz FLJHYOJJSAZBPX-UHFFFAOYSA-N 2 1 329.444 3.407 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1nccc1-c1cccnc1 ZINC000191277468 1295664494 /nfs/dbraw/zinc/66/44/94/1295664494.db2.gz USGBGIDWSNOYSU-UHFFFAOYSA-N 2 1 338.459 3.074 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1nccc1-c1cccnc1 ZINC000191277468 1295664505 /nfs/dbraw/zinc/66/45/05/1295664505.db2.gz USGBGIDWSNOYSU-UHFFFAOYSA-N 2 1 338.459 3.074 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000870121991 1295674879 /nfs/dbraw/zinc/67/48/79/1295674879.db2.gz UNUGFHBEQUDFDT-SFHVURJKSA-N 2 1 343.515 3.012 20 0 EGADMP O[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000850554525 1322265238 /nfs/dbraw/zinc/26/52/38/1322265238.db2.gz FTRSLMUXBSKZCI-INIZCTEOSA-N 2 1 329.271 3.243 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000222995975 1296131876 /nfs/dbraw/zinc/13/18/76/1296131876.db2.gz KWJAQXKNZJTUMV-HRCADAONSA-N 2 1 327.513 3.142 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000870952029 1296150317 /nfs/dbraw/zinc/15/03/17/1296150317.db2.gz ILKJOWCOKBUVOB-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000870956730 1296153382 /nfs/dbraw/zinc/15/33/82/1296153382.db2.gz GGXAQVTZJUWVKO-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)N3CC[NH+](C)C(C)(C)CC3)c2)C1 ZINC000871157083 1296246886 /nfs/dbraw/zinc/24/68/86/1296246886.db2.gz GNFAOOBGGURILN-IBGZPJMESA-N 2 1 343.515 3.052 20 0 EGADMP C[NH+]1CCC[C@H](c2cccc(C(=O)N3CC[N@H+](C)C(C)(C)CC3)c2)C1 ZINC000871157083 1296246895 /nfs/dbraw/zinc/24/68/95/1296246895.db2.gz GNFAOOBGGURILN-IBGZPJMESA-N 2 1 343.515 3.052 20 0 EGADMP C[NH+]1CCC[C@H](c2cccc(C(=O)N3CC[N@@H+](C)C(C)(C)CC3)c2)C1 ZINC000871157083 1296246902 /nfs/dbraw/zinc/24/69/02/1296246902.db2.gz GNFAOOBGGURILN-IBGZPJMESA-N 2 1 343.515 3.052 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCCCC[NH3+])cc1 ZINC000237518651 1296248334 /nfs/dbraw/zinc/24/83/34/1296248334.db2.gz IESKHIFHKHLFTH-KRWDZBQOSA-N 2 1 331.504 3.196 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000248147863 1296406451 /nfs/dbraw/zinc/40/64/51/1296406451.db2.gz FPPNPBXZDUJIST-IAGOWNOFSA-N 2 1 335.492 3.043 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000248146754 1296406577 /nfs/dbraw/zinc/40/65/77/1296406577.db2.gz QGYFMUKGXBLUBK-OTBWCIGPSA-N 2 1 339.524 3.142 20 0 EGADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(SC)cc1OC ZINC000262149813 1296620815 /nfs/dbraw/zinc/62/08/15/1296620815.db2.gz ZTQWDXONSVPXPM-UHFFFAOYSA-N 2 1 336.501 3.001 20 0 EGADMP CC1(C)CCc2onc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2C1 ZINC000872143830 1296764631 /nfs/dbraw/zinc/76/46/31/1296764631.db2.gz XWDDZLAGFYRDEC-HZPDHXFCSA-N 2 1 331.504 3.401 20 0 EGADMP C[C@H](C(=O)N1CCCCC1)[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156493 1296775859 /nfs/dbraw/zinc/77/58/59/1296775859.db2.gz KEGBNPALZUZOEB-ZHALLVOQSA-N 2 1 335.536 3.007 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000300369604 1296780961 /nfs/dbraw/zinc/78/09/61/1296780961.db2.gz YTGYBWYODWCOCD-XHSDSOJGSA-N 2 1 327.513 3.142 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000300369604 1296780972 /nfs/dbraw/zinc/78/09/72/1296780972.db2.gz YTGYBWYODWCOCD-XHSDSOJGSA-N 2 1 327.513 3.142 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000301219357 1296786823 /nfs/dbraw/zinc/78/68/23/1296786823.db2.gz CFDIREJCBYJDQM-SJORKVTESA-N 2 1 339.524 3.240 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000305103719 1296978278 /nfs/dbraw/zinc/97/82/78/1296978278.db2.gz CEQOVRVNWSSKMQ-RLCCDNCMSA-N 2 1 331.287 3.347 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000305103717 1296978500 /nfs/dbraw/zinc/97/85/00/1296978500.db2.gz CEQOVRVNWSSKMQ-KNXALSJPSA-N 2 1 331.287 3.347 20 0 EGADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000305110715 1296980495 /nfs/dbraw/zinc/98/04/95/1296980495.db2.gz CVXHOKCMDCIHBY-MSOLQXFVSA-N 2 1 340.870 3.337 20 0 EGADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000311181314 1297105542 /nfs/dbraw/zinc/10/55/42/1297105542.db2.gz YTYWSOKWNXRMLL-OXQOHEQNSA-N 2 1 346.421 3.110 20 0 EGADMP Cc1ccc(NC(=O)C[NH+]2CCC3(CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000323749566 1297202643 /nfs/dbraw/zinc/20/26/43/1297202643.db2.gz SBGZBORFQOGGHV-UHFFFAOYSA-N 2 1 335.879 3.053 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000345788059 1297338720 /nfs/dbraw/zinc/33/87/20/1297338720.db2.gz CFINRUKTJOSVMQ-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000345788059 1297338734 /nfs/dbraw/zinc/33/87/34/1297338734.db2.gz CFINRUKTJOSVMQ-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000345788059 1297338747 /nfs/dbraw/zinc/33/87/47/1297338747.db2.gz CFINRUKTJOSVMQ-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204382 1297349040 /nfs/dbraw/zinc/34/90/40/1297349040.db2.gz COWYCMOWRYFRGI-IRXDYDNUSA-N 3 1 347.572 3.480 20 0 EGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204382 1297349055 /nfs/dbraw/zinc/34/90/55/1297349055.db2.gz COWYCMOWRYFRGI-IRXDYDNUSA-N 3 1 347.572 3.480 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204382 1297349068 /nfs/dbraw/zinc/34/90/68/1297349068.db2.gz COWYCMOWRYFRGI-IRXDYDNUSA-N 3 1 347.572 3.480 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204382 1297349084 /nfs/dbraw/zinc/34/90/84/1297349084.db2.gz COWYCMOWRYFRGI-IRXDYDNUSA-N 3 1 347.572 3.480 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204382 1297349099 /nfs/dbraw/zinc/34/90/99/1297349099.db2.gz COWYCMOWRYFRGI-IRXDYDNUSA-N 3 1 347.572 3.480 20 0 EGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)CC1 ZINC000873204856 1297351303 /nfs/dbraw/zinc/35/13/03/1297351303.db2.gz HVZUCSYDKGWGLI-QGZVFWFLSA-N 3 1 347.572 3.338 20 0 EGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)CC1 ZINC000873204856 1297351315 /nfs/dbraw/zinc/35/13/15/1297351315.db2.gz HVZUCSYDKGWGLI-QGZVFWFLSA-N 3 1 347.572 3.338 20 0 EGADMP c1c(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000873210190 1297354954 /nfs/dbraw/zinc/35/49/54/1297354954.db2.gz YLOXAVJTDUYMDW-OAHLLOKOSA-N 2 1 328.481 3.295 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379666333 1297538010 /nfs/dbraw/zinc/53/80/10/1297538010.db2.gz WBDMXHYVGQIMEL-AFYVEPGGSA-N 2 1 343.515 3.063 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000379878576 1297542034 /nfs/dbraw/zinc/54/20/34/1297542034.db2.gz TVRULGBXICOCAE-JXFKEZNVSA-N 2 1 326.488 3.291 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000379878576 1297542044 /nfs/dbraw/zinc/54/20/44/1297542044.db2.gz TVRULGBXICOCAE-JXFKEZNVSA-N 2 1 326.488 3.291 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000687674272 1298120062 /nfs/dbraw/zinc/12/00/62/1298120062.db2.gz VKMFNWNOJWBTKM-WKILWMFISA-N 2 1 339.524 3.144 20 0 EGADMP C[NH2+]CC[C@@H](C)[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000691902864 1298139310 /nfs/dbraw/zinc/13/93/10/1298139310.db2.gz YEBHVZZELGLUOX-LJQANCHMSA-N 3 1 329.532 3.363 20 0 EGADMP COc1cncc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000700058223 1298174338 /nfs/dbraw/zinc/17/43/38/1298174338.db2.gz IRFLSZSPVJZIKA-SFHVURJKSA-N 2 1 325.456 3.092 20 0 EGADMP COc1cncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000700058223 1298174346 /nfs/dbraw/zinc/17/43/46/1298174346.db2.gz IRFLSZSPVJZIKA-SFHVURJKSA-N 2 1 325.456 3.092 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000700800729 1298180298 /nfs/dbraw/zinc/18/02/98/1298180298.db2.gz VGFPYXOZRSWVTM-BRWVUGGUSA-N 2 1 339.524 3.144 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(O)c(F)c1 ZINC000708552621 1298242714 /nfs/dbraw/zinc/24/27/14/1298242714.db2.gz WIWTZKCGICRUDK-YJBOKZPZSA-N 2 1 328.431 3.389 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000708566784 1298244167 /nfs/dbraw/zinc/24/41/67/1298244167.db2.gz UBHOEDFPGGRIRR-YLJYHZDGSA-N 2 1 340.515 3.496 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000708566784 1298244175 /nfs/dbraw/zinc/24/41/75/1298244175.db2.gz UBHOEDFPGGRIRR-YLJYHZDGSA-N 2 1 340.515 3.496 20 0 EGADMP C[C@H]1C[C@@H](N[C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000709341860 1298248434 /nfs/dbraw/zinc/24/84/34/1298248434.db2.gz GQYHBKFYMHBOFX-FHBGEGHHSA-N 2 1 327.516 3.158 20 0 EGADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCN(Cc3ccccc3)[C@@H](C)C1)[NH2+]2 ZINC000709341860 1298248438 /nfs/dbraw/zinc/24/84/38/1298248438.db2.gz GQYHBKFYMHBOFX-FHBGEGHHSA-N 2 1 327.516 3.158 20 0 EGADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)[NH2+]2 ZINC000709341860 1298248443 /nfs/dbraw/zinc/24/84/43/1298248443.db2.gz GQYHBKFYMHBOFX-FHBGEGHHSA-N 3 1 327.516 3.158 20 0 EGADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)[NH2+]2 ZINC000709341860 1298248450 /nfs/dbraw/zinc/24/84/50/1298248450.db2.gz GQYHBKFYMHBOFX-FHBGEGHHSA-N 3 1 327.516 3.158 20 0 EGADMP C[C@@H](C(=O)NCCCCCCC[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000746884164 1298679878 /nfs/dbraw/zinc/67/98/78/1298679878.db2.gz DSTISHKPEUPERP-OTWHNJEPSA-N 2 1 337.552 3.410 20 0 EGADMP Cn1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(-c2cc(F)ccc2F)n1 ZINC000876596801 1298856099 /nfs/dbraw/zinc/85/60/99/1298856099.db2.gz KOOVRCDYZCPZAN-AWEZNQCLSA-N 2 1 348.441 3.139 20 0 EGADMP Cn1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(-c2cc(F)ccc2F)n1 ZINC000876596801 1298856105 /nfs/dbraw/zinc/85/61/05/1298856105.db2.gz KOOVRCDYZCPZAN-AWEZNQCLSA-N 2 1 348.441 3.139 20 0 EGADMP Cn1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(-c2cc(F)ccc2F)n1 ZINC000876596801 1298856116 /nfs/dbraw/zinc/85/61/16/1298856116.db2.gz KOOVRCDYZCPZAN-AWEZNQCLSA-N 2 1 348.441 3.139 20 0 EGADMP Cn1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(-c2cc(F)ccc2F)n1 ZINC000876596801 1298856127 /nfs/dbraw/zinc/85/61/27/1298856127.db2.gz KOOVRCDYZCPZAN-AWEZNQCLSA-N 2 1 348.441 3.139 20 0 EGADMP CCC(CC)(CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000877069849 1299144439 /nfs/dbraw/zinc/14/44/39/1299144439.db2.gz HMAFRKRHYNRHKM-HZPDHXFCSA-N 2 1 341.540 3.390 20 0 EGADMP C[C@@H]1C[C@@H](NCc2ccc(Cl)nn2)CC[N@H+]1Cc1ccccc1 ZINC000877076203 1299147533 /nfs/dbraw/zinc/14/75/33/1299147533.db2.gz NVIUZMGWGMZCFH-ZBFHGGJFSA-N 2 1 330.863 3.273 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccccc3OCCCCO)C2)CC1 ZINC000877497553 1299347840 /nfs/dbraw/zinc/34/78/40/1299347840.db2.gz SVRFOAYLOKXTID-UHFFFAOYSA-N 2 1 346.515 3.146 20 0 EGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000877522896 1299366267 /nfs/dbraw/zinc/36/62/67/1299366267.db2.gz INPVTSVEKBKBAX-BPKGMFCQSA-N 2 1 339.524 3.093 20 0 EGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000877522896 1299366276 /nfs/dbraw/zinc/36/62/76/1299366276.db2.gz INPVTSVEKBKBAX-BPKGMFCQSA-N 2 1 339.524 3.093 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1cccc(C)c1 ZINC000751012505 1299496791 /nfs/dbraw/zinc/49/67/91/1299496791.db2.gz VHAAURBUYWFUQI-SFHVURJKSA-N 2 1 348.560 3.040 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000751050510 1299505503 /nfs/dbraw/zinc/50/55/03/1299505503.db2.gz OSBYJHYSVMGMSL-MHJFOBGBSA-N 2 1 343.515 3.203 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(OCc4ccccn4)cc3)CC[C@@H]21 ZINC000877743748 1299522213 /nfs/dbraw/zinc/52/22/13/1299522213.db2.gz MMKZEBSTARHELV-RXVVDRJESA-N 2 1 337.467 3.187 20 0 EGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(OCc4ccccn4)cc3)CC[C@@H]21 ZINC000877743748 1299522219 /nfs/dbraw/zinc/52/22/19/1299522219.db2.gz MMKZEBSTARHELV-RXVVDRJESA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(OCc4ccccn4)cc3)CC[C@@H]21 ZINC000877743748 1299522223 /nfs/dbraw/zinc/52/22/23/1299522223.db2.gz MMKZEBSTARHELV-RXVVDRJESA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(OCc4ccccn4)cc3)CC[C@@H]21 ZINC000877743748 1299522226 /nfs/dbraw/zinc/52/22/26/1299522226.db2.gz MMKZEBSTARHELV-RXVVDRJESA-N 2 1 337.467 3.187 20 0 EGADMP COc1cc(C[NH+]2CC[C@@H](CF)C2)cc(C[N@H+]2CC[C@@H](CF)C2)c1 ZINC000880299516 1301037527 /nfs/dbraw/zinc/03/75/27/1301037527.db2.gz HYMCNVHPDOLESU-HOTGVXAUSA-N 2 1 338.442 3.278 20 0 EGADMP COc1cc(C[NH+]2CC[C@H](CF)C2)cc(C[N@H+]2CC[C@H](CF)C2)c1 ZINC000880299517 1301038737 /nfs/dbraw/zinc/03/87/37/1301038737.db2.gz HYMCNVHPDOLESU-HZPDHXFCSA-N 2 1 338.442 3.278 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC(C)([NH+]2CCC2)CC1)c1cccc(Cl)c1 ZINC000882506663 1301996684 /nfs/dbraw/zinc/99/66/84/1301996684.db2.gz ALQLCYVHWCHBNG-KRWDZBQOSA-N 2 1 349.906 3.030 20 0 EGADMP COc1ccc2c(NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc[nH+]c2c1 ZINC000765456975 1302267061 /nfs/dbraw/zinc/26/70/61/1302267061.db2.gz ISIQGHKUDBAWRU-GASCZTMLSA-N 2 1 329.444 3.155 20 0 EGADMP CCc1nc2c(s1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCC2 ZINC000765975813 1302360242 /nfs/dbraw/zinc/36/02/42/1302360242.db2.gz KUMNFXFMVKZWDR-CVEARBPZSA-N 2 1 349.544 3.316 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1OC ZINC000765974986 1302360876 /nfs/dbraw/zinc/36/08/76/1302360876.db2.gz JWUIIWPOLKNONG-IEBWSBKVSA-N 2 1 332.488 3.379 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc2c(c1)CCC2 ZINC000765973737 1302360932 /nfs/dbraw/zinc/36/09/32/1302360932.db2.gz FAAVMUYEAMGLJO-KKSFZXQISA-N 2 1 328.500 3.469 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc2c(c1)COC2 ZINC000765973106 1302361797 /nfs/dbraw/zinc/36/17/97/1302361797.db2.gz CMUKQFOPFOGKMJ-QRWLVFNGSA-N 2 1 330.472 3.011 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCC[C@H](C3CCOCC3)C2)cc1 ZINC000883461832 1302452291 /nfs/dbraw/zinc/45/22/91/1302452291.db2.gz DYMQQHJDBYDERT-PMACEKPBSA-N 2 1 346.515 3.266 20 0 EGADMP c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)C[C@H]1CCCN21 ZINC000883462665 1302453696 /nfs/dbraw/zinc/45/36/96/1302453696.db2.gz WXXGGLNRROVLSR-OAQYLSRUSA-N 2 1 333.479 3.317 20 0 EGADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857199133 1328524535 /nfs/dbraw/zinc/52/45/35/1328524535.db2.gz COQXPQPZZXPEOU-PMACEKPBSA-N 2 1 343.515 3.052 20 0 EGADMP CC[C@H]1C[NH+](C)CCCN1C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857199133 1328524536 /nfs/dbraw/zinc/52/45/36/1328524536.db2.gz COQXPQPZZXPEOU-PMACEKPBSA-N 2 1 343.515 3.052 20 0 EGADMP CC[C@H]1C[NH+](C)CCCN1C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857199133 1328524537 /nfs/dbraw/zinc/52/45/37/1328524537.db2.gz COQXPQPZZXPEOU-PMACEKPBSA-N 2 1 343.515 3.052 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000767925880 1302786927 /nfs/dbraw/zinc/78/69/27/1302786927.db2.gz GJWFLZZOSDWBNZ-NHCUHLMSSA-N 2 1 339.483 3.092 20 0 EGADMP COc1ccc(C[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)cc1F ZINC000768198658 1302854171 /nfs/dbraw/zinc/85/41/71/1302854171.db2.gz CBEXVVVQPVXUCI-UHFFFAOYSA-N 2 1 346.446 3.407 20 0 EGADMP COC(=O)c1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)oc1C ZINC000768215163 1302856657 /nfs/dbraw/zinc/85/66/57/1302856657.db2.gz AGEMETZXRISHOO-UHFFFAOYSA-N 2 1 330.428 3.068 20 0 EGADMP COC(=O)c1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)oc1C ZINC000768215163 1302856662 /nfs/dbraw/zinc/85/66/62/1302856662.db2.gz AGEMETZXRISHOO-UHFFFAOYSA-N 2 1 330.428 3.068 20 0 EGADMP CC(C)[C@H](C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000769685782 1303157540 /nfs/dbraw/zinc/15/75/40/1303157540.db2.gz UEPUHNONGQBEBO-ZACQAIPSSA-N 2 1 341.540 3.388 20 0 EGADMP CCC[N@H+](CC)Cc1ccc(C(=O)OCCn2cc[nH+]c2C)cc1 ZINC000771977832 1303470300 /nfs/dbraw/zinc/47/03/00/1303470300.db2.gz MRODDJFDBPZGQM-UHFFFAOYSA-N 2 1 329.444 3.280 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)OCCn2cc[nH+]c2C)cc1 ZINC000771977832 1303470303 /nfs/dbraw/zinc/47/03/03/1303470303.db2.gz MRODDJFDBPZGQM-UHFFFAOYSA-N 2 1 329.444 3.280 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)N(C(C)C)C(C)C)CC2)[nH+]c1C ZINC000886670366 1303548659 /nfs/dbraw/zinc/54/86/59/1303548659.db2.gz NKADKTDWIYTCRM-INIZCTEOSA-N 2 1 334.508 3.240 20 0 EGADMP CC[N@H+](CC[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C ZINC000772874278 1303587673 /nfs/dbraw/zinc/58/76/73/1303587673.db2.gz AFUYSWXNCWMCQZ-IRXDYDNUSA-N 2 1 341.540 3.484 20 0 EGADMP CC[N@@H+](CC[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C ZINC000772874278 1303587678 /nfs/dbraw/zinc/58/76/78/1303587678.db2.gz AFUYSWXNCWMCQZ-IRXDYDNUSA-N 2 1 341.540 3.484 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H](O)c1c(F)cccc1Cl ZINC000773030201 1303611416 /nfs/dbraw/zinc/61/14/16/1303611416.db2.gz LWRJNGWOYOGMGJ-ZBYUQBLASA-N 2 1 326.843 3.117 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](O)c1c(F)cccc1Cl ZINC000773030201 1303611420 /nfs/dbraw/zinc/61/14/20/1303611420.db2.gz LWRJNGWOYOGMGJ-ZBYUQBLASA-N 2 1 326.843 3.117 20 0 EGADMP COC(=O)c1oc([C@@H](C)[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1C ZINC000887132325 1303686639 /nfs/dbraw/zinc/68/66/39/1303686639.db2.gz CUELCHJQMANGHV-HUUCEWRRSA-N 2 1 343.427 3.041 20 0 EGADMP COC(=O)c1oc([C@@H](C)[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1C ZINC000887132325 1303686647 /nfs/dbraw/zinc/68/66/47/1303686647.db2.gz CUELCHJQMANGHV-HUUCEWRRSA-N 2 1 343.427 3.041 20 0 EGADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H](C)c2nncn2C)ccc1OC ZINC000775378823 1303950009 /nfs/dbraw/zinc/95/00/09/1303950009.db2.gz CBSJDMHQVSPUPR-LSDHHAIUSA-N 2 1 345.491 3.077 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(N(C)C)c1 ZINC000775687152 1304015544 /nfs/dbraw/zinc/01/55/44/1304015544.db2.gz OJKBYADOCNDLNA-YLJYHZDGSA-N 2 1 338.499 3.148 20 0 EGADMP CO[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(F)(F)F ZINC000777007572 1304231731 /nfs/dbraw/zinc/23/17/31/1304231731.db2.gz NNLJTQCWRGGEAW-NHYWBVRUSA-N 2 1 327.350 3.409 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccc(Cl)cc1 ZINC000889821562 1304597227 /nfs/dbraw/zinc/59/72/27/1304597227.db2.gz UESSKDKUZTYJRU-SFHVURJKSA-N 2 1 349.906 3.076 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCC[C@H]2C)cc1 ZINC000783921408 1305162193 /nfs/dbraw/zinc/16/21/93/1305162193.db2.gz RUESMZXNZRWDDA-QGZVFWFLSA-N 2 1 331.504 3.133 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCC[C@H]2C)cc1 ZINC000783921408 1305162195 /nfs/dbraw/zinc/16/21/95/1305162195.db2.gz RUESMZXNZRWDDA-QGZVFWFLSA-N 2 1 331.504 3.133 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CCC[C@H]2C)cc1 ZINC000783921408 1305162198 /nfs/dbraw/zinc/16/21/98/1305162198.db2.gz RUESMZXNZRWDDA-QGZVFWFLSA-N 2 1 331.504 3.133 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCC[C@H]2C)cc1)C(C)C ZINC000783917289 1305162306 /nfs/dbraw/zinc/16/23/06/1305162306.db2.gz MHDRXEYLHDLCSR-QGZVFWFLSA-N 2 1 331.504 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+]2CCC[C@H]2C)cc1)C(C)C ZINC000783917289 1305162308 /nfs/dbraw/zinc/16/23/08/1305162308.db2.gz MHDRXEYLHDLCSR-QGZVFWFLSA-N 2 1 331.504 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+]2CCC[C@H]2C)cc1)C(C)C ZINC000783917289 1305162312 /nfs/dbraw/zinc/16/23/12/1305162312.db2.gz MHDRXEYLHDLCSR-QGZVFWFLSA-N 2 1 331.504 3.131 20 0 EGADMP CC[C@@H]1Oc2cc([C@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ccc2NC1=O ZINC000893356148 1305847361 /nfs/dbraw/zinc/84/73/61/1305847361.db2.gz KAZKIXXWSZBTOH-XLOFPCCBSA-N 2 1 343.471 3.072 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCc3ccc(Cl)nc32)C[C@H](C)O1 ZINC000788646890 1305991279 /nfs/dbraw/zinc/99/12/79/1305991279.db2.gz TVGKRRAMKWSYLE-IJEWVQPXSA-N 2 1 337.895 3.201 20 0 EGADMP CCn1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(-c2ccccc2)n1 ZINC000893953778 1306144623 /nfs/dbraw/zinc/14/46/23/1306144623.db2.gz YZXHMCJGZMBLCN-QGZVFWFLSA-N 2 1 326.488 3.344 20 0 EGADMP CCn1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(-c2ccccc2)n1 ZINC000893953778 1306144626 /nfs/dbraw/zinc/14/46/26/1306144626.db2.gz YZXHMCJGZMBLCN-QGZVFWFLSA-N 2 1 326.488 3.344 20 0 EGADMP CCn1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(-c2ccccc2)n1 ZINC000893953778 1306144632 /nfs/dbraw/zinc/14/46/32/1306144632.db2.gz YZXHMCJGZMBLCN-QGZVFWFLSA-N 2 1 326.488 3.344 20 0 EGADMP CCn1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(-c2ccccc2)n1 ZINC000893953778 1306144635 /nfs/dbraw/zinc/14/46/35/1306144635.db2.gz YZXHMCJGZMBLCN-QGZVFWFLSA-N 2 1 326.488 3.344 20 0 EGADMP C[N@@H+](Cc1cc(Cl)cs1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741679 1317885722 /nfs/dbraw/zinc/88/57/22/1317885722.db2.gz RZGHHSHIWQHVGZ-HNNXBMFYSA-N 2 1 327.925 3.002 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793527536 1309394810 /nfs/dbraw/zinc/39/48/10/1309394810.db2.gz NQPNHBJBGPLTKA-IEBWSBKVSA-N 2 1 326.488 3.291 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793527536 1309394817 /nfs/dbraw/zinc/39/48/17/1309394817.db2.gz NQPNHBJBGPLTKA-IEBWSBKVSA-N 2 1 326.488 3.291 20 0 EGADMP CCc1onc(C)c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000895693512 1309469993 /nfs/dbraw/zinc/46/99/93/1309469993.db2.gz FLWOQHQUWUSSCW-CRAIPNDOSA-N 2 1 327.472 3.403 20 0 EGADMP CCc1onc(C)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000895693512 1309469998 /nfs/dbraw/zinc/46/99/98/1309469998.db2.gz FLWOQHQUWUSSCW-CRAIPNDOSA-N 2 1 327.472 3.403 20 0 EGADMP CC(C)Oc1ccc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000796262981 1309946988 /nfs/dbraw/zinc/94/69/88/1309946988.db2.gz QWJWRVYZNMLRNH-UHFFFAOYSA-N 2 1 333.501 3.324 20 0 EGADMP Cc1ccc(N2CCC[C@H]([NH2+]Cc3ncc(C[NH+](C)C)s3)C2)cc1 ZINC000796316531 1309964470 /nfs/dbraw/zinc/96/44/70/1309964470.db2.gz SYTLFTWDFUMQMR-INIZCTEOSA-N 2 1 344.528 3.272 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000897006823 1310132715 /nfs/dbraw/zinc/13/27/15/1310132715.db2.gz UUYPYGGNOBZTQR-HKUYNNGSSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000897006823 1310132718 /nfs/dbraw/zinc/13/27/18/1310132718.db2.gz UUYPYGGNOBZTQR-HKUYNNGSSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000897006823 1310132723 /nfs/dbraw/zinc/13/27/23/1310132723.db2.gz UUYPYGGNOBZTQR-HKUYNNGSSA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000798184762 1310313410 /nfs/dbraw/zinc/31/34/10/1310313410.db2.gz DXIYEZIOUHNNRV-MRXNPFEDSA-N 2 1 341.540 3.296 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000798184762 1310313391 /nfs/dbraw/zinc/31/33/91/1310313391.db2.gz DXIYEZIOUHNNRV-MRXNPFEDSA-N 2 1 341.540 3.296 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000798184762 1310313400 /nfs/dbraw/zinc/31/34/00/1310313400.db2.gz DXIYEZIOUHNNRV-MRXNPFEDSA-N 2 1 341.540 3.296 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000798184762 1310313405 /nfs/dbraw/zinc/31/34/05/1310313405.db2.gz DXIYEZIOUHNNRV-MRXNPFEDSA-N 2 1 341.540 3.296 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnn(-c4ccc(F)cc4)c3)C2)CC1 ZINC000798956976 1310463867 /nfs/dbraw/zinc/46/38/67/1310463867.db2.gz SDXANZBDZFSZSU-UHFFFAOYSA-N 2 1 342.462 3.319 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3nonc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000897990616 1310543724 /nfs/dbraw/zinc/54/37/24/1310543724.db2.gz APOSGFINIYDNEY-YJBOKZPZSA-N 2 1 336.439 3.366 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3nonc3c2)CC[N@H+]1Cc1ccccc1 ZINC000897990616 1310543726 /nfs/dbraw/zinc/54/37/26/1310543726.db2.gz APOSGFINIYDNEY-YJBOKZPZSA-N 2 1 336.439 3.366 20 0 EGADMP FC1(F)CCC(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000898032356 1310556125 /nfs/dbraw/zinc/55/61/25/1310556125.db2.gz OCVZLAJXJSWBBZ-QGZVFWFLSA-N 2 1 330.463 3.435 20 0 EGADMP CC[NH+](CC)CCCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000800166912 1310688609 /nfs/dbraw/zinc/68/86/09/1310688609.db2.gz YYAMOYLWQNQWNC-LJQANCHMSA-N 2 1 332.488 3.174 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3CCC34CCOCC4)C2)cc1 ZINC000800473608 1310765160 /nfs/dbraw/zinc/76/51/60/1310765160.db2.gz BMRMKXDWZIQXOR-PMACEKPBSA-N 2 1 328.500 3.447 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000839181460 1320887558 /nfs/dbraw/zinc/88/75/58/1320887558.db2.gz IRBQIHWIXQDFCQ-KRWDZBQOSA-N 2 1 346.906 3.406 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857256567 1328525406 /nfs/dbraw/zinc/52/54/06/1328525406.db2.gz HBDRDFOUMOFSRW-UXHICEINSA-N 2 1 343.515 3.100 20 0 EGADMP CCC[NH+]1CCC[C@H]1CNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857256567 1328525407 /nfs/dbraw/zinc/52/54/07/1328525407.db2.gz HBDRDFOUMOFSRW-UXHICEINSA-N 2 1 343.515 3.100 20 0 EGADMP CCC[NH+]1CCC[C@H]1CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857256567 1328525408 /nfs/dbraw/zinc/52/54/08/1328525408.db2.gz HBDRDFOUMOFSRW-UXHICEINSA-N 2 1 343.515 3.100 20 0 EGADMP C[NH+](C)C1CCC(NC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000857291106 1328526704 /nfs/dbraw/zinc/52/67/04/1328526704.db2.gz TUZJJSPPDKCSHF-XEVCZEQESA-N 2 1 343.515 3.098 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001018990785 1316996133 /nfs/dbraw/zinc/99/61/33/1316996133.db2.gz PQFDSELMXVSWOX-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001019076292 1317035629 /nfs/dbraw/zinc/03/56/29/1317035629.db2.gz UQUBDARGCLGDKL-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1)c1ccccc1 ZINC001019381311 1317206298 /nfs/dbraw/zinc/20/62/98/1317206298.db2.gz FLRKRZUJKJPGGP-RBUKOAKNSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000900230220 1317255590 /nfs/dbraw/zinc/25/55/90/1317255590.db2.gz YWDIRQLEZIVYCN-VQTJNVASSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900230220 1317255600 /nfs/dbraw/zinc/25/56/00/1317255600.db2.gz YWDIRQLEZIVYCN-VQTJNVASSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900230220 1317255608 /nfs/dbraw/zinc/25/56/08/1317255608.db2.gz YWDIRQLEZIVYCN-VQTJNVASSA-N 2 1 343.515 3.160 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)c2C1 ZINC000900528582 1317300820 /nfs/dbraw/zinc/30/08/20/1317300820.db2.gz HQUUVHJVDKEGEQ-LPHOPBHVSA-N 2 1 327.472 3.368 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)c2C1 ZINC000900528582 1317300829 /nfs/dbraw/zinc/30/08/29/1317300829.db2.gz HQUUVHJVDKEGEQ-LPHOPBHVSA-N 2 1 327.472 3.368 20 0 EGADMP CCC[NH+]1Cc2cccc(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)c2C1 ZINC000900528582 1317300839 /nfs/dbraw/zinc/30/08/39/1317300839.db2.gz HQUUVHJVDKEGEQ-LPHOPBHVSA-N 2 1 327.472 3.368 20 0 EGADMP CCC[NH+]1Cc2cccc(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)c2C1 ZINC000900528582 1317300847 /nfs/dbraw/zinc/30/08/47/1317300847.db2.gz HQUUVHJVDKEGEQ-LPHOPBHVSA-N 2 1 327.472 3.368 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)CC1 ZINC000957555403 1317452821 /nfs/dbraw/zinc/45/28/21/1317452821.db2.gz AURGWAWRXVNDDT-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC2)CC1 ZINC000957559122 1317456357 /nfs/dbraw/zinc/45/63/57/1317456357.db2.gz BXLQLACSEXIJRS-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cn1 ZINC000902503559 1317585229 /nfs/dbraw/zinc/58/52/29/1317585229.db2.gz SOWIVPNYXLLTMK-IXDGSTSKSA-N 2 1 327.403 3.127 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001020239122 1317604046 /nfs/dbraw/zinc/60/40/46/1317604046.db2.gz OYPUEEHOIPMAOD-WFAGLZIHSA-N 2 1 349.563 3.312 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001020237809 1317604363 /nfs/dbraw/zinc/60/43/63/1317604363.db2.gz DKCBDAZUMGJMEZ-VAMGGRTRSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001020239394 1317604705 /nfs/dbraw/zinc/60/47/05/1317604705.db2.gz ZDXLHNDKJUOTJQ-FHWLQOOXSA-N 2 1 335.536 3.066 20 0 EGADMP CC1(C)CC(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001020240178 1317604754 /nfs/dbraw/zinc/60/47/54/1317604754.db2.gz ZOKOBTGGJYSXCA-LNLFQRSKSA-N 2 1 347.547 3.066 20 0 EGADMP CCO[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000902796136 1317617917 /nfs/dbraw/zinc/61/79/17/1317617917.db2.gz JVQSJFQGHXWGST-IEBWSBKVSA-N 2 1 338.536 3.347 20 0 EGADMP CC[N@@H+](CC1CCCCC1)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000957776361 1317639872 /nfs/dbraw/zinc/63/98/72/1317639872.db2.gz HTVBRXUYOPBRPR-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CC1CCCCC1)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000957776361 1317639879 /nfs/dbraw/zinc/63/98/79/1317639879.db2.gz HTVBRXUYOPBRPR-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CC1CCCCC1)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000957776361 1317639885 /nfs/dbraw/zinc/63/98/85/1317639885.db2.gz HTVBRXUYOPBRPR-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](CC1CCC1)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000957778026 1317641879 /nfs/dbraw/zinc/64/18/79/1317641879.db2.gz KRIZCVSKKLMSPG-QZTJIDSGSA-N 2 1 349.563 3.220 20 0 EGADMP COc1cc2c(cc1C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)O[C@H](C)C2 ZINC000903067610 1317645980 /nfs/dbraw/zinc/64/59/80/1317645980.db2.gz RJMJLQHQAOXZNX-ZEIDCXACSA-N 2 1 342.483 3.266 20 0 EGADMP COc1cc2c(cc1C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)O[C@H](C)C2 ZINC000903067610 1317645985 /nfs/dbraw/zinc/64/59/85/1317645985.db2.gz RJMJLQHQAOXZNX-ZEIDCXACSA-N 2 1 342.483 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903091448 1317650200 /nfs/dbraw/zinc/65/02/00/1317650200.db2.gz UHEUVHCWWIEOHG-HZPDHXFCSA-N 2 1 339.524 3.142 20 0 EGADMP c1ccc2nc(NCC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)ccc2c1 ZINC000903125605 1317658504 /nfs/dbraw/zinc/65/85/04/1317658504.db2.gz NPIZKOVFDCPCPW-JLYLLQBASA-N 2 1 336.483 3.394 20 0 EGADMP c1cncc([C@H]2C[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CCO2)c1 ZINC000903185286 1317668300 /nfs/dbraw/zinc/66/83/00/1317668300.db2.gz CUIGKLNSHXHNHE-AEOXZHQRSA-N 2 1 327.472 3.049 20 0 EGADMP CCN1CCC[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000903389453 1317695005 /nfs/dbraw/zinc/69/50/05/1317695005.db2.gz VMZOAEMBSADLSG-MHJFOBGBSA-N 2 1 343.515 3.030 20 0 EGADMP Brc1cncc([C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC000903565864 1317707514 /nfs/dbraw/zinc/70/75/14/1317707514.db2.gz FJQZAXZFBUGHTG-INIZCTEOSA-N 2 1 338.293 3.371 20 0 EGADMP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903735415 1317728875 /nfs/dbraw/zinc/72/88/75/1317728875.db2.gz ZSEBTLDPZQECFP-JTDSTZFVSA-N 2 1 332.463 3.367 20 0 EGADMP FC(F)(F)[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)O1 ZINC000903750319 1317729562 /nfs/dbraw/zinc/72/95/62/1317729562.db2.gz XGDBBMMNXVUEBP-JONQDZQNSA-N 2 1 334.426 3.198 20 0 EGADMP c1ccc(-c2n[nH]c([C@H]3CCC[N@H+](C[C@@H]4CCCC[NH2+]C4)C3)n2)cc1 ZINC000903755473 1317730034 /nfs/dbraw/zinc/73/00/34/1317730034.db2.gz HUGYZILFMCLFGN-AEFFLSMTSA-N 2 1 339.487 3.041 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001020499928 1317730388 /nfs/dbraw/zinc/73/03/88/1317730388.db2.gz INIGPMLZFXHTQZ-VAMGGRTRSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000903829809 1317738925 /nfs/dbraw/zinc/73/89/25/1317738925.db2.gz LIXZODCGTKNPRC-IBGZPJMESA-N 2 1 329.532 3.363 20 0 EGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)C2 ZINC000903850281 1317739078 /nfs/dbraw/zinc/73/90/78/1317739078.db2.gz NRWORXXPLCPCLE-SZMVWBNQSA-N 2 1 335.451 3.104 20 0 EGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)C2 ZINC000903850281 1317739082 /nfs/dbraw/zinc/73/90/82/1317739082.db2.gz NRWORXXPLCPCLE-SZMVWBNQSA-N 2 1 335.451 3.104 20 0 EGADMP [NH3+][C@@H](CC(F)F)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000903876753 1317740003 /nfs/dbraw/zinc/74/00/03/1317740003.db2.gz HXEDOKNLASZZBI-ZDUSSCGKSA-N 2 1 326.387 3.142 20 0 EGADMP [NH3+][C@@H](CC(F)F)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000903876753 1317740012 /nfs/dbraw/zinc/74/00/12/1317740012.db2.gz HXEDOKNLASZZBI-ZDUSSCGKSA-N 2 1 326.387 3.142 20 0 EGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000904326399 1317831446 /nfs/dbraw/zinc/83/14/46/1317831446.db2.gz ITGODPMGKAJRHA-NHCUHLMSSA-N 2 1 329.532 3.220 20 0 EGADMP Fc1ccc(Oc2cccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)c2)cc1 ZINC000904359057 1317835410 /nfs/dbraw/zinc/83/54/10/1317835410.db2.gz XBNQCFYYTLHSAN-IBGZPJMESA-N 2 1 330.403 3.086 20 0 EGADMP COc1ccc([C@H](C[NH2+]C[C@]2(C)CCC[NH2+]C2)N2CCCCC2)cc1 ZINC000904364924 1317837537 /nfs/dbraw/zinc/83/75/37/1317837537.db2.gz UHDNZRKUIXFYLO-LEWJYISDSA-N 2 1 345.531 3.202 20 0 EGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000904405362 1317843901 /nfs/dbraw/zinc/84/39/01/1317843901.db2.gz LMQRMBOVNSUYQI-LBPRGKRZSA-N 2 1 338.377 3.266 20 0 EGADMP CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1OC ZINC000904410000 1317843969 /nfs/dbraw/zinc/84/39/69/1317843969.db2.gz LKGLEVCALVSLRR-CYBMUJFWSA-N 2 1 326.868 3.308 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@](C)(O)C(F)F)C1 ZINC000905044996 1317916688 /nfs/dbraw/zinc/91/66/88/1317916688.db2.gz HEPFWNRBYCDOQL-KDOFPFPSSA-N 2 1 326.431 3.024 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCC2CC2)C1 ZINC001021358001 1318208930 /nfs/dbraw/zinc/20/89/30/1318208930.db2.gz VZTVWGDGZCEBJH-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2CC2)C1 ZINC001021358001 1318208938 /nfs/dbraw/zinc/20/89/38/1318208938.db2.gz VZTVWGDGZCEBJH-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CC2)C1 ZINC001021358001 1318208947 /nfs/dbraw/zinc/20/89/47/1318208947.db2.gz VZTVWGDGZCEBJH-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001021380587 1318223090 /nfs/dbraw/zinc/22/30/90/1318223090.db2.gz MAKFXYAUQXWMFE-VOBGVNJCSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001021380587 1318223094 /nfs/dbraw/zinc/22/30/94/1318223094.db2.gz MAKFXYAUQXWMFE-VOBGVNJCSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001021380587 1318223101 /nfs/dbraw/zinc/22/31/01/1318223101.db2.gz MAKFXYAUQXWMFE-VOBGVNJCSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCC2CCCC2)C1 ZINC001021438030 1318251065 /nfs/dbraw/zinc/25/10/65/1318251065.db2.gz NDZGQVZKMONXLX-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2CCCC2)C1 ZINC001021438030 1318251073 /nfs/dbraw/zinc/25/10/73/1318251073.db2.gz NDZGQVZKMONXLX-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CCCC2)C1 ZINC001021438030 1318251080 /nfs/dbraw/zinc/25/10/80/1318251080.db2.gz NDZGQVZKMONXLX-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001021470320 1318269898 /nfs/dbraw/zinc/26/98/98/1318269898.db2.gz ZMDWKQSMWGQLBA-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001021470320 1318269907 /nfs/dbraw/zinc/26/99/07/1318269907.db2.gz ZMDWKQSMWGQLBA-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001021470320 1318269913 /nfs/dbraw/zinc/26/99/13/1318269913.db2.gz ZMDWKQSMWGQLBA-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP OCc1cc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC000858432807 1328761085 /nfs/dbraw/zinc/76/10/85/1328761085.db2.gz XLGDPZDWJUQLRS-NRFANRHFSA-N 2 1 337.467 3.066 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CC(C)(C)C2)CC[N@H+]1C ZINC000960100421 1318355418 /nfs/dbraw/zinc/35/54/18/1318355418.db2.gz BTLLBGKHMUHYIY-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2=CCCCC2)CC[N@H+]1C ZINC000960103269 1318358251 /nfs/dbraw/zinc/35/82/51/1318358251.db2.gz SDAVCRPFYYPCEA-IHPCNDPISA-N 2 1 347.547 3.188 20 0 EGADMP Cc1c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)sc2nc(C)nc(C)c12 ZINC000814178654 1318692674 /nfs/dbraw/zinc/69/26/74/1318692674.db2.gz YFMGHIJVBFCMLS-SFHVURJKSA-N 2 1 330.501 3.144 20 0 EGADMP Cc1c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)sc2nc(C)nc(C)c12 ZINC000814178654 1318692680 /nfs/dbraw/zinc/69/26/80/1318692680.db2.gz YFMGHIJVBFCMLS-SFHVURJKSA-N 2 1 330.501 3.144 20 0 EGADMP Cc1c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)sc2nc(C)nc(C)c12 ZINC000814178654 1318692686 /nfs/dbraw/zinc/69/26/86/1318692686.db2.gz YFMGHIJVBFCMLS-SFHVURJKSA-N 2 1 330.501 3.144 20 0 EGADMP Cc1c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)sc2nc(C)nc(C)c12 ZINC000814178654 1318692694 /nfs/dbraw/zinc/69/26/94/1318692694.db2.gz YFMGHIJVBFCMLS-SFHVURJKSA-N 2 1 330.501 3.144 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001021906731 1318727730 /nfs/dbraw/zinc/72/77/30/1318727730.db2.gz XARNKPGMIKZGGV-GEALJGNFSA-N 2 1 343.515 3.202 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC000960669266 1318785165 /nfs/dbraw/zinc/78/51/65/1318785165.db2.gz VARNOGLGASYLQU-FXAWDEMLSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC000960669266 1318785173 /nfs/dbraw/zinc/78/51/73/1318785173.db2.gz VARNOGLGASYLQU-FXAWDEMLSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000960669266 1318785183 /nfs/dbraw/zinc/78/51/83/1318785183.db2.gz VARNOGLGASYLQU-FXAWDEMLSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCC1)[NH+](C)C ZINC000960692223 1318796305 /nfs/dbraw/zinc/79/63/05/1318796305.db2.gz XKDUEWRKROWFBM-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(C)cc(C)c1)[NH+](C)C ZINC000960707754 1318811626 /nfs/dbraw/zinc/81/16/26/1318811626.db2.gz IRLIALHOSGOPRW-VQTJNVASSA-N 2 1 345.531 3.066 20 0 EGADMP C[NH+](C[C@H]1CCCN1C(=O)C[N@@H+]1CCC(C)(C)C1)CC1CCCCC1 ZINC000960864669 1319010439 /nfs/dbraw/zinc/01/04/39/1319010439.db2.gz OYNDVTQOINFRNR-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@H]1CCCN1C(=O)C[N@H+]1CCC(C)(C)C1)CC1CCCCC1 ZINC000960864669 1319010445 /nfs/dbraw/zinc/01/04/45/1319010445.db2.gz OYNDVTQOINFRNR-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)c1cccc(Cl)c1 ZINC001022711883 1319079180 /nfs/dbraw/zinc/07/91/80/1319079180.db2.gz FOXZIQOEFMWLOQ-DTDBQYNISA-N 2 1 349.906 3.122 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001022807499 1319118904 /nfs/dbraw/zinc/11/89/04/1319118904.db2.gz IODDPIUMNCEKFW-CEXWTWQISA-N 2 1 335.536 3.066 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961030323 1319153883 /nfs/dbraw/zinc/15/38/83/1319153883.db2.gz UPGHDDMUCXPVMZ-OALUTQOASA-N 2 1 343.515 3.075 20 0 EGADMP CC(C)Oc1cccc([C@H](O)C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000817893077 1319453548 /nfs/dbraw/zinc/45/35/48/1319453548.db2.gz DJDSFUYHNVJJJC-ZLGUVYLKSA-N 2 1 342.483 3.055 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961294083 1319456945 /nfs/dbraw/zinc/45/69/45/1319456945.db2.gz SWKQWIFTNLKVKD-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP COc1cccc2[nH]cc(CC[NH2+][C@H](Cc3ccccc3)[C@@H](C)[NH3+])c21 ZINC000817920326 1319461469 /nfs/dbraw/zinc/46/14/69/1319461469.db2.gz IFHNYBHWXDYCFA-DNVCBOLYSA-N 2 1 337.467 3.267 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000817927870 1319463566 /nfs/dbraw/zinc/46/35/66/1319463566.db2.gz RPYYWHIMQROISG-RZAIGCCYSA-N 2 1 336.838 3.061 20 0 EGADMP CC[NH+](CC)Cc1cc([C@H](C)NC[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000817945775 1319471657 /nfs/dbraw/zinc/47/16/57/1319471657.db2.gz LQQFNLWHKBQFIE-DLBZAZTESA-N 2 1 333.520 3.187 20 0 EGADMP Cc1c([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)nnn1-c1ccc(C)cc1 ZINC000817949959 1319475171 /nfs/dbraw/zinc/47/51/71/1319475171.db2.gz UXVSYYALOJQMRX-INIZCTEOSA-N 2 1 349.482 3.236 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023365057 1319476803 /nfs/dbraw/zinc/47/68/03/1319476803.db2.gz VXFWZXKGFJRPAS-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001023365057 1319476809 /nfs/dbraw/zinc/47/68/09/1319476809.db2.gz VXFWZXKGFJRPAS-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001023365057 1319476813 /nfs/dbraw/zinc/47/68/13/1319476813.db2.gz VXFWZXKGFJRPAS-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000817962857 1319479926 /nfs/dbraw/zinc/47/99/26/1319479926.db2.gz MDEMGOZTELATLT-CRAIPNDOSA-N 2 1 330.476 3.108 20 0 EGADMP FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000817981470 1319484997 /nfs/dbraw/zinc/48/49/97/1319484997.db2.gz KPJHPRRWQZESPP-XJKSGUPXSA-N 2 1 342.455 3.347 20 0 EGADMP O=C(NC[C@@H]1CCC[N@@H+](CCC2CC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001023414500 1319518766 /nfs/dbraw/zinc/51/87/66/1319518766.db2.gz UWPSSTVQBTXULO-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+](CCC2CC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001023414500 1319518773 /nfs/dbraw/zinc/51/87/73/1319518773.db2.gz UWPSSTVQBTXULO-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+](CCC2CC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001023414500 1319518780 /nfs/dbraw/zinc/51/87/80/1319518780.db2.gz UWPSSTVQBTXULO-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CCC[NH+](C(C)C)C3)CC2)CC[N@H+]1C ZINC000961365945 1319523155 /nfs/dbraw/zinc/52/31/55/1319523155.db2.gz GMQBFKHYTCDHPK-SLFFLAALSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CCC[N@@H+](C(C)C)C3)CC2)CC[NH+]1C ZINC000961365945 1319523160 /nfs/dbraw/zinc/52/31/60/1319523160.db2.gz GMQBFKHYTCDHPK-SLFFLAALSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CCC[N@H+](C(C)C)C3)CC2)CC[NH+]1C ZINC000961365945 1319523167 /nfs/dbraw/zinc/52/31/67/1319523167.db2.gz GMQBFKHYTCDHPK-SLFFLAALSA-N 2 1 349.563 3.076 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961380169 1319538263 /nfs/dbraw/zinc/53/82/63/1319538263.db2.gz ZELJARJMKKCKTN-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](CCC[NH2+]C[C@@H](O)c1cccc(Cl)c1)Cc1ccccc1 ZINC000818943015 1319583093 /nfs/dbraw/zinc/58/30/93/1319583093.db2.gz OAYSNZKKMNWPTH-LJQANCHMSA-N 2 1 332.875 3.485 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000818959305 1319590430 /nfs/dbraw/zinc/59/04/30/1319590430.db2.gz HWRLTKRJQDCZEW-KBXCAEBGSA-N 2 1 326.431 3.242 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000818960459 1319592060 /nfs/dbraw/zinc/59/20/60/1319592060.db2.gz ZGPYGFSNPYFDQZ-KSSFIOAISA-N 2 1 326.431 3.242 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000818981765 1319603308 /nfs/dbraw/zinc/60/33/08/1319603308.db2.gz YOKJCNYMGZNQAH-CJNGLKHVSA-N 2 1 330.394 3.060 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000818985638 1319606103 /nfs/dbraw/zinc/60/61/03/1319606103.db2.gz UEVZHPZTDHUJNO-SUMWQHHRSA-N 2 1 328.859 3.223 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000819151996 1319649242 /nfs/dbraw/zinc/64/92/42/1319649242.db2.gz JTYQALCJQIRVNH-CXAGYDPISA-N 2 1 328.859 3.080 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+](CC3CCCC3)C2)C1 ZINC001023548134 1319658398 /nfs/dbraw/zinc/65/83/98/1319658398.db2.gz BNMCBZNXSLBWLU-VQTJNVASSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CC3CCCC3)C2)C1 ZINC001023548134 1319658402 /nfs/dbraw/zinc/65/84/02/1319658402.db2.gz BNMCBZNXSLBWLU-VQTJNVASSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CC3CCCC3)C2)C1 ZINC001023548134 1319658408 /nfs/dbraw/zinc/65/84/08/1319658408.db2.gz BNMCBZNXSLBWLU-VQTJNVASSA-N 2 1 349.563 3.127 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C1=CC[N@@H+](C)CC1 ZINC000819220515 1319672898 /nfs/dbraw/zinc/67/28/98/1319672898.db2.gz PGTQNSIGTCXQPO-ZBEGNZNMSA-N 2 1 329.271 3.267 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC3CCCC3)C2)CC1 ZINC001023678130 1319792109 /nfs/dbraw/zinc/79/21/09/1319792109.db2.gz QCDGWTVXPOWQJT-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CN(C)c1ncc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c2ccccc21 ZINC000930575816 1328902969 /nfs/dbraw/zinc/90/29/69/1328902969.db2.gz FOKODBZLHZJDPO-NRFANRHFSA-N 2 1 338.499 3.219 20 0 EGADMP CN(C)c1ncc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c2ccccc21 ZINC000930575816 1328902975 /nfs/dbraw/zinc/90/29/75/1328902975.db2.gz FOKODBZLHZJDPO-NRFANRHFSA-N 2 1 338.499 3.219 20 0 EGADMP CN(C)c1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c2ccccc21 ZINC000930575816 1328902980 /nfs/dbraw/zinc/90/29/80/1328902980.db2.gz FOKODBZLHZJDPO-NRFANRHFSA-N 2 1 338.499 3.219 20 0 EGADMP CN(C)c1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c2ccccc21 ZINC000930575816 1328902984 /nfs/dbraw/zinc/90/29/84/1328902984.db2.gz FOKODBZLHZJDPO-NRFANRHFSA-N 2 1 338.499 3.219 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839203316 1320894149 /nfs/dbraw/zinc/89/41/49/1320894149.db2.gz YQLVTPHJKHFCAI-UHFFFAOYSA-N 2 1 334.851 3.173 20 0 EGADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000843126785 1321474210 /nfs/dbraw/zinc/47/42/10/1321474210.db2.gz AFGMRUHJCBDQCB-NWDGAFQWSA-N 2 1 338.858 3.248 20 0 EGADMP CC[NH+](CC)CCOc1ccc(-c2noc([C@@H](C)[NH2+]C3CC3)n2)cc1 ZINC000843201263 1321486941 /nfs/dbraw/zinc/48/69/41/1321486941.db2.gz XZHIMFABJBRQRE-CQSZACIVSA-N 2 1 344.459 3.270 20 0 EGADMP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363837 1321506997 /nfs/dbraw/zinc/50/69/97/1321506997.db2.gz CXHWTAGRGATVOP-MRXNPFEDSA-N 2 1 343.515 3.387 20 0 EGADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1SC(F)(F)F ZINC000843362891 1321507014 /nfs/dbraw/zinc/50/70/14/1321507014.db2.gz UIBOTWRBGIHHAK-CMPLNLGQSA-N 2 1 334.407 3.476 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1SC(F)(F)F ZINC000843362891 1321507019 /nfs/dbraw/zinc/50/70/19/1321507019.db2.gz UIBOTWRBGIHHAK-CMPLNLGQSA-N 2 1 334.407 3.476 20 0 EGADMP CCN(c1ccc(NC(=O)C[N@@H+](C)C2CCC([NH3+])CC2)cc1)C(C)C ZINC000844220869 1321579920 /nfs/dbraw/zinc/57/99/20/1321579920.db2.gz NIFWMXZPWWBTLG-UHFFFAOYSA-N 2 1 346.519 3.062 20 0 EGADMP C[C@H]1CCC[N@H+](CC(=O)Nc2ccc3ccccc3c2)[C@H]1CC[NH3+] ZINC000846226362 1321778381 /nfs/dbraw/zinc/77/83/81/1321778381.db2.gz KVTVIUYQVLZKKV-KXBFYZLASA-N 2 1 325.456 3.228 20 0 EGADMP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3ccccc3c2)[C@H]1CC[NH3+] ZINC000846226362 1321778386 /nfs/dbraw/zinc/77/83/86/1321778386.db2.gz KVTVIUYQVLZKKV-KXBFYZLASA-N 2 1 325.456 3.228 20 0 EGADMP CCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H](O)c1ccccc1 ZINC000848548586 1321974339 /nfs/dbraw/zinc/97/43/39/1321974339.db2.gz DJINKXITDBLYLI-QHAWAJNXSA-N 2 1 346.515 3.122 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCCC2)C1 ZINC000962517766 1321983022 /nfs/dbraw/zinc/98/30/22/1321983022.db2.gz GKTCHDMHPSDXQV-MHJFOBGBSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000848888758 1322030549 /nfs/dbraw/zinc/03/05/49/1322030549.db2.gz BJPCEGQEWGFNBU-GHTZIAJQSA-N 2 1 329.532 3.268 20 0 EGADMP COC(=O)/C=C/c1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000848894589 1322034399 /nfs/dbraw/zinc/03/43/99/1322034399.db2.gz NMGXZFRIKMISEA-CWNHSUMWSA-N 2 1 348.487 3.314 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccc(Cl)cc2)CCC1 ZINC000849072422 1322066225 /nfs/dbraw/zinc/06/62/25/1322066225.db2.gz FTOAKZZKBJFUGJ-KRWDZBQOSA-N 2 1 348.922 3.360 20 0 EGADMP C[C@@]1(CNC(=[NH2+])N2CCCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000849076348 1322068312 /nfs/dbraw/zinc/06/83/12/1322068312.db2.gz YSSIWGHDOPVEHF-FQEVSTJZSA-N 2 1 328.504 3.299 20 0 EGADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849083602 1322071871 /nfs/dbraw/zinc/07/18/71/1322071871.db2.gz AJCCYGACDZJQHU-UHFFFAOYSA-N 2 1 332.370 3.252 20 0 EGADMP O[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000850554526 1322264701 /nfs/dbraw/zinc/26/47/01/1322264701.db2.gz FTRSLMUXBSKZCI-MRXNPFEDSA-N 2 1 329.271 3.243 20 0 EGADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000923326906 1322735122 /nfs/dbraw/zinc/73/51/22/1322735122.db2.gz OYUSNAWGIKQRDO-HRVKUGKESA-N 2 1 328.504 3.045 20 0 EGADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)[nH+]1 ZINC000923326906 1322735124 /nfs/dbraw/zinc/73/51/24/1322735124.db2.gz OYUSNAWGIKQRDO-HRVKUGKESA-N 3 1 328.504 3.045 20 0 EGADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)[nH+]1 ZINC000923326906 1322735128 /nfs/dbraw/zinc/73/51/28/1322735128.db2.gz OYUSNAWGIKQRDO-HRVKUGKESA-N 3 1 328.504 3.045 20 0 EGADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000923491711 1322761518 /nfs/dbraw/zinc/76/15/18/1322761518.db2.gz MEFPILXYAZOUNZ-UWJYYQICSA-N 2 1 343.515 3.095 20 0 EGADMP CC(C)CCc1noc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)n1 ZINC000923504633 1322764611 /nfs/dbraw/zinc/76/46/11/1322764611.db2.gz CIDKFYXXXLCPOS-MRXNPFEDSA-N 2 1 334.508 3.260 20 0 EGADMP COc1ccnc([C@H](C)[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000924528516 1323043330 /nfs/dbraw/zinc/04/33/30/1323043330.db2.gz ITZFPTFHYYOPJE-INIZCTEOSA-N 2 1 325.456 3.405 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(-n2cnnc2)c1 ZINC000924574689 1323058894 /nfs/dbraw/zinc/05/88/94/1323058894.db2.gz WUKGXPHEYXYANP-IRXDYDNUSA-N 2 1 327.476 3.182 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc(-n2cnnc2)c1 ZINC000924574688 1323059656 /nfs/dbraw/zinc/05/96/56/1323059656.db2.gz WUKGXPHEYXYANP-IAGOWNOFSA-N 2 1 327.476 3.182 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)c2ccccn2)CC1 ZINC000851813386 1323097193 /nfs/dbraw/zinc/09/71/93/1323097193.db2.gz UXOXRZVUYXKBBF-PXNSSMCTSA-N 2 1 331.504 3.092 20 0 EGADMP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000924667198 1323102831 /nfs/dbraw/zinc/10/28/31/1323102831.db2.gz HYALRNLVXROCSI-MBOZVWFJSA-N 2 1 343.515 3.065 20 0 EGADMP CCCNC(=O)c1cccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)c1 ZINC000924703153 1323121582 /nfs/dbraw/zinc/12/15/82/1323121582.db2.gz YYUUOEAMXXBIQS-UHFFFAOYSA-N 2 1 345.531 3.427 20 0 EGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000852106599 1323149591 /nfs/dbraw/zinc/14/95/91/1323149591.db2.gz BTGFCOCUBAZLAL-IAGOWNOFSA-N 2 1 342.405 3.157 20 0 EGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000852106599 1323149596 /nfs/dbraw/zinc/14/95/96/1323149596.db2.gz BTGFCOCUBAZLAL-IAGOWNOFSA-N 2 1 342.405 3.157 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000852106599 1323149601 /nfs/dbraw/zinc/14/96/01/1323149601.db2.gz BTGFCOCUBAZLAL-IAGOWNOFSA-N 2 1 342.405 3.157 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000852106599 1323149605 /nfs/dbraw/zinc/14/96/05/1323149605.db2.gz BTGFCOCUBAZLAL-IAGOWNOFSA-N 2 1 342.405 3.157 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001024157319 1323180105 /nfs/dbraw/zinc/18/01/05/1323180105.db2.gz ZBNHLBZCHVVUIN-QUCCMNQESA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC000924826434 1323180179 /nfs/dbraw/zinc/18/01/79/1323180179.db2.gz VKVUUASYYCUSNP-UHFFFAOYSA-N 2 1 345.531 3.123 20 0 EGADMP Cc1nccn1CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924871229 1323194847 /nfs/dbraw/zinc/19/48/47/1323194847.db2.gz DLYSKDMMCNQGEJ-SEJPIABJSA-N 3 1 338.499 3.367 20 0 EGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852708494 1323229078 /nfs/dbraw/zinc/22/90/78/1323229078.db2.gz CCSUYHFIFRCCMU-SUMWQHHRSA-N 2 1 342.405 3.297 20 0 EGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1coc2ccccc12 ZINC000924959874 1323229382 /nfs/dbraw/zinc/22/93/82/1323229382.db2.gz PZPIFSLGYBZVRU-INIZCTEOSA-N 2 1 329.488 3.357 20 0 EGADMP CCC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ncccc1Cl ZINC000924967469 1323232356 /nfs/dbraw/zinc/23/23/56/1323232356.db2.gz WSUKDLQELZQONG-KRWDZBQOSA-N 2 1 338.927 3.193 20 0 EGADMP C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1cccc2c1CC[NH2+]C2 ZINC000852742771 1323234178 /nfs/dbraw/zinc/23/41/78/1323234178.db2.gz NEKAASWNOZRIRV-UHFFFAOYSA-N 2 1 343.858 3.056 20 0 EGADMP C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1cccc2c1CC[NH2+]C2 ZINC000852742771 1323234184 /nfs/dbraw/zinc/23/41/84/1323234184.db2.gz NEKAASWNOZRIRV-UHFFFAOYSA-N 2 1 343.858 3.056 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001024278522 1323256455 /nfs/dbraw/zinc/25/64/55/1323256455.db2.gz PVIPBHMRSUAQAS-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H](O)c2ccccn2)cc1 ZINC000853062134 1323272228 /nfs/dbraw/zinc/27/22/28/1323272228.db2.gz JLNOYZFOYDUFGI-UWJYYQICSA-N 2 1 339.483 3.279 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024437640 1323397084 /nfs/dbraw/zinc/39/70/84/1323397084.db2.gz UKFJWWYOMWKSRX-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001024437640 1323397090 /nfs/dbraw/zinc/39/70/90/1323397090.db2.gz UKFJWWYOMWKSRX-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC(C)(C)C ZINC001024437640 1323397098 /nfs/dbraw/zinc/39/70/98/1323397098.db2.gz UKFJWWYOMWKSRX-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024468640 1323423760 /nfs/dbraw/zinc/42/37/60/1323423760.db2.gz LYQGYGPGNCIWJI-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001024468640 1323423766 /nfs/dbraw/zinc/42/37/66/1323423766.db2.gz LYQGYGPGNCIWJI-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001024468640 1323423768 /nfs/dbraw/zinc/42/37/68/1323423768.db2.gz LYQGYGPGNCIWJI-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCC(C)C)C1 ZINC001024614048 1323542902 /nfs/dbraw/zinc/54/29/02/1323542902.db2.gz FOVCXCLDZKZEOI-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCC(C)C)C1 ZINC001024614048 1323542910 /nfs/dbraw/zinc/54/29/10/1323542910.db2.gz FOVCXCLDZKZEOI-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCC(C)C)C1 ZINC001024614048 1323542918 /nfs/dbraw/zinc/54/29/18/1323542918.db2.gz FOVCXCLDZKZEOI-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC2CC2)o1 ZINC001024820405 1323726245 /nfs/dbraw/zinc/72/62/45/1323726245.db2.gz YWAZVLOPZASBJB-KRWDZBQOSA-N 2 1 347.503 3.116 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc(-c4ccccc4)cc3)C[C@@H]2C1 ZINC000931433836 1329116665 /nfs/dbraw/zinc/11/66/65/1329116665.db2.gz INPSKRQXILZLTO-UXHICEINSA-N 2 1 349.478 3.176 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001025246407 1324045999 /nfs/dbraw/zinc/04/59/99/1324045999.db2.gz WUVQMSDVPGZJCW-RBUKOAKNSA-N 2 1 340.471 3.122 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025431605 1324268562 /nfs/dbraw/zinc/26/85/62/1324268562.db2.gz BKXUOMHSVUWKOZ-LSDHHAIUSA-N 2 1 337.533 3.048 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025461290 1324306333 /nfs/dbraw/zinc/30/63/33/1324306333.db2.gz RWCJXJVEUXOWIN-RDJZCZTQSA-N 2 1 342.487 3.273 20 0 EGADMP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001025470622 1324316878 /nfs/dbraw/zinc/31/68/78/1324316878.db2.gz ZCNNVNZIYFIOSB-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001026506777 1324855700 /nfs/dbraw/zinc/85/57/00/1324855700.db2.gz FURFKGONQRUNBE-TVPLGVNVSA-N 2 1 335.536 3.066 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001026516371 1324862756 /nfs/dbraw/zinc/86/27/56/1324862756.db2.gz ZRDCGVXQQPVVND-MHJFOBGBSA-N 2 1 347.547 3.378 20 0 EGADMP C([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853242016 1325070652 /nfs/dbraw/zinc/07/06/52/1325070652.db2.gz ZADQMXDKOZPNMT-WCXIOVBPSA-N 2 1 326.575 3.078 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364412 1325166072 /nfs/dbraw/zinc/16/60/72/1325166072.db2.gz CCWQAOAGRDEGRZ-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383128 1325184425 /nfs/dbraw/zinc/18/44/25/1325184425.db2.gz MFEUQXLFLAAMLO-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925562458 1325211239 /nfs/dbraw/zinc/21/12/39/1325211239.db2.gz OJHSDQJWFSNAKJ-KLIQENQMSA-N 2 1 343.515 3.081 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963418169 1325225719 /nfs/dbraw/zinc/22/57/19/1325225719.db2.gz RBSDEVXDKGTROY-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963418166 1325225929 /nfs/dbraw/zinc/22/59/29/1325225929.db2.gz RBSDEVXDKGTROY-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H](CCc1ccc(F)cc1F)N1CCc2sc(CN)nc2C1 ZINC000925750129 1325283066 /nfs/dbraw/zinc/28/30/66/1325283066.db2.gz CNUNWLOEJRSAFQ-NSHDSACASA-N 2 1 337.439 3.259 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2 ZINC000963787132 1325399776 /nfs/dbraw/zinc/39/97/76/1325399776.db2.gz FOVXNGVTZSFNCP-MBEFBZSESA-N 2 1 347.547 3.066 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2 ZINC000963786678 1325400618 /nfs/dbraw/zinc/40/06/18/1325400618.db2.gz FOVXNGVTZSFNCP-FCOWATRHSA-N 2 1 347.547 3.066 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC000963907685 1325431653 /nfs/dbraw/zinc/43/16/53/1325431653.db2.gz HZABVMUZYSRZJS-KKXNLOMOSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2 ZINC000963927451 1325445684 /nfs/dbraw/zinc/44/56/84/1325445684.db2.gz VGBNHBLUCOOEQQ-FCOWATRHSA-N 2 1 347.547 3.068 20 0 EGADMP Cc1ccccc1C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001027453026 1327693480 /nfs/dbraw/zinc/69/34/80/1327693480.db2.gz XVVMBMJCOJUHDO-UXHICEINSA-N 2 1 345.531 3.004 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C)cc2C)C1)[NH+](C)C ZINC001027461856 1327709697 /nfs/dbraw/zinc/70/96/97/1327709697.db2.gz QOPITVZLDGGTAP-WOJBJXKFSA-N 2 1 345.531 3.066 20 0 EGADMP CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001027470391 1327724573 /nfs/dbraw/zinc/72/45/73/1327724573.db2.gz PEROYONBQKVSMN-SFHVURJKSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001027470391 1327724583 /nfs/dbraw/zinc/72/45/83/1327724583.db2.gz PEROYONBQKVSMN-SFHVURJKSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001027470391 1327724589 /nfs/dbraw/zinc/72/45/89/1327724589.db2.gz PEROYONBQKVSMN-SFHVURJKSA-N 2 1 337.552 3.218 20 0 EGADMP CCSc1ccccc1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000926918889 1327776021 /nfs/dbraw/zinc/77/60/21/1327776021.db2.gz JMQSWOCABHESML-SFHVURJKSA-N 2 1 334.529 3.184 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH+](C)CCC3CCCCC3)C2)C1 ZINC001027576365 1327913713 /nfs/dbraw/zinc/91/37/13/1327913713.db2.gz NNTXHMZUGWPTTL-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H]([N@H+](C)CCC3CCCCC3)C2)C1 ZINC001027576365 1327913720 /nfs/dbraw/zinc/91/37/20/1327913720.db2.gz NNTXHMZUGWPTTL-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H]([N@@H+](C)CCC3CCCCC3)C2)C1 ZINC001027576365 1327913730 /nfs/dbraw/zinc/91/37/30/1327913730.db2.gz NNTXHMZUGWPTTL-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCC2)C1 ZINC001027602145 1327954616 /nfs/dbraw/zinc/95/46/16/1327954616.db2.gz MDBWADLJTMJCOL-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC001027602145 1327954622 /nfs/dbraw/zinc/95/46/22/1327954622.db2.gz MDBWADLJTMJCOL-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027602145 1327954636 /nfs/dbraw/zinc/95/46/36/1327954636.db2.gz MDBWADLJTMJCOL-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2CCC2CCCC2)C1 ZINC001027924071 1328403084 /nfs/dbraw/zinc/40/30/84/1328403084.db2.gz CUNLZBRPTFYMHS-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCC2CCCC2)C1 ZINC001027924071 1328403087 /nfs/dbraw/zinc/40/30/87/1328403087.db2.gz CUNLZBRPTFYMHS-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCC2CCCC2)C1 ZINC001027924071 1328403089 /nfs/dbraw/zinc/40/30/89/1328403089.db2.gz CUNLZBRPTFYMHS-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCC(C)(C)CC1 ZINC001027971680 1328444885 /nfs/dbraw/zinc/44/48/85/1328444885.db2.gz JUUKBUMYYXXHHW-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001027971680 1328444890 /nfs/dbraw/zinc/44/48/90/1328444890.db2.gz JUUKBUMYYXXHHW-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCC(C)(C)CC1 ZINC001027971680 1328444892 /nfs/dbraw/zinc/44/48/92/1328444892.db2.gz JUUKBUMYYXXHHW-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001027986566 1328457339 /nfs/dbraw/zinc/45/73/39/1328457339.db2.gz YNQHLQQNCZQKJC-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001027986566 1328457343 /nfs/dbraw/zinc/45/73/43/1328457343.db2.gz YNQHLQQNCZQKJC-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001027986566 1328457347 /nfs/dbraw/zinc/45/73/47/1328457347.db2.gz YNQHLQQNCZQKJC-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000933268250 1329876545 /nfs/dbraw/zinc/87/65/45/1329876545.db2.gz ULOXGYFORGZMJS-SFHVURJKSA-N 2 1 342.487 3.014 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000935662551 1330069074 /nfs/dbraw/zinc/06/90/74/1330069074.db2.gz HBABGZRFJFJUBN-QGZVFWFLSA-N 2 1 345.487 3.012 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)CC1(C)OCCO1 ZINC000866424024 1330109794 /nfs/dbraw/zinc/10/97/94/1330109794.db2.gz FBFKRGJZDSLAHK-BJLQDIEVSA-N 2 1 346.515 3.276 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)CC1(C)OCCO1 ZINC000866424024 1330109795 /nfs/dbraw/zinc/10/97/95/1330109795.db2.gz FBFKRGJZDSLAHK-BJLQDIEVSA-N 2 1 346.515 3.276 20 0 EGADMP C[C@H]([NH2+]CC[C@@H](O)C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866638311 1330136739 /nfs/dbraw/zinc/13/67/39/1330136739.db2.gz PBHMWYKHWRSVSG-DZFGPLHGSA-N 2 1 330.516 3.428 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3c(Cl)cncc3Cl)C2)C1 ZINC000866667640 1330139724 /nfs/dbraw/zinc/13/97/24/1330139724.db2.gz TUDSGQWQMAIKAR-OZVIIMIRSA-N 2 1 344.286 3.107 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3c(Cl)cncc3Cl)C2)C1 ZINC000866667640 1330139728 /nfs/dbraw/zinc/13/97/28/1330139728.db2.gz TUDSGQWQMAIKAR-OZVIIMIRSA-N 2 1 344.286 3.107 20 0 EGADMP CC1(C)CC[NH2+]CC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000866699215 1330142024 /nfs/dbraw/zinc/14/20/24/1330142024.db2.gz JKMLKZGWRIYHES-UHFFFAOYSA-N 2 1 344.286 3.396 20 0 EGADMP CC1(C)CC[NH2+]CC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000866699215 1330142027 /nfs/dbraw/zinc/14/20/27/1330142027.db2.gz JKMLKZGWRIYHES-UHFFFAOYSA-N 2 1 344.286 3.396 20 0 EGADMP Cc1nc[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)CC1(C)C ZINC000941187170 1331376807 /nfs/dbraw/zinc/37/68/07/1331376807.db2.gz WHFFBGFELOSADI-GOSISDBHSA-N 2 1 346.519 3.058 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942303035 1331898645 /nfs/dbraw/zinc/89/86/45/1331898645.db2.gz JYOKLIZEGVZFIK-HNAYVOBHSA-N 2 1 342.487 3.211 20 0 EGADMP C[C@H]1C[N@@H+](CC2CCCCCC2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597019 1331995793 /nfs/dbraw/zinc/99/57/93/1331995793.db2.gz HXSAMRBSQNAGGT-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596788 1331995941 /nfs/dbraw/zinc/99/59/41/1331995941.db2.gz GFDYNXIEXYFIHA-XLIONFOSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943516775 1332191961 /nfs/dbraw/zinc/19/19/61/1332191961.db2.gz MTGNDOPRVDESJQ-YLJYHZDGSA-N 2 1 343.515 3.155 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944168582 1332338598 /nfs/dbraw/zinc/33/85/98/1332338598.db2.gz JXUNIVBBLWOWEC-MAUKXSAKSA-N 2 1 346.519 3.024 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944168582 1332338601 /nfs/dbraw/zinc/33/86/01/1332338601.db2.gz JXUNIVBBLWOWEC-MAUKXSAKSA-N 2 1 346.519 3.024 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946709969 1332882032 /nfs/dbraw/zinc/88/20/32/1332882032.db2.gz DJVIDBJCUXZKKL-GBESFXJTSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCC(C)C)C[C@H]2CC1 ZINC000946904919 1332929919 /nfs/dbraw/zinc/92/99/19/1332929919.db2.gz TUFNHWFPAHIUBM-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC(C)C)C[C@H]2CC1 ZINC000946904919 1332929922 /nfs/dbraw/zinc/92/99/22/1332929922.db2.gz TUFNHWFPAHIUBM-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCC(C)C)C[C@H]2CC1 ZINC000946904919 1332929924 /nfs/dbraw/zinc/92/99/24/1332929924.db2.gz TUFNHWFPAHIUBM-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[N@H+](CCC(C)C)[C@@H](C)C2)ccc2c[nH+]cn21 ZINC000947474563 1333142409 /nfs/dbraw/zinc/14/24/09/1333142409.db2.gz VWOAYEUZLKWJTN-RDJZCZTQSA-N 2 1 342.487 3.272 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CCC(C)(C)C ZINC000947494350 1333146554 /nfs/dbraw/zinc/14/65/54/1333146554.db2.gz XYNVJHCDRCIBOW-SJORKVTESA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1CCC(C)(C)C ZINC000947505392 1333149085 /nfs/dbraw/zinc/14/90/85/1333149085.db2.gz ARMSLUIBOBOJKS-DOTOQJQBSA-N 2 1 342.487 3.353 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)[C@H](C)C1 ZINC000947546343 1333167151 /nfs/dbraw/zinc/16/71/51/1333167151.db2.gz GHUSBNDJWHAWMN-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)[C@H](C)C1 ZINC000947546343 1333167156 /nfs/dbraw/zinc/16/71/56/1333167156.db2.gz GHUSBNDJWHAWMN-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CC1CC(C)(C)C1 ZINC000947726531 1333241919 /nfs/dbraw/zinc/24/19/19/1333241919.db2.gz PSRCTECVUDUKBJ-AEFFLSMTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC1CC(C)(C)C1 ZINC000947726531 1333241921 /nfs/dbraw/zinc/24/19/21/1333241921.db2.gz PSRCTECVUDUKBJ-AEFFLSMTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CC1CC(C)(C)C1 ZINC000947726531 1333241925 /nfs/dbraw/zinc/24/19/25/1333241925.db2.gz PSRCTECVUDUKBJ-AEFFLSMTSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947882765 1333290524 /nfs/dbraw/zinc/29/05/24/1333290524.db2.gz WRRBWNSFSWNEEO-HKUYNNGSSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCC1CCCCCC1 ZINC000948040125 1333349877 /nfs/dbraw/zinc/34/98/77/1333349877.db2.gz MXDRLSWMIYGQIW-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948368496 1333497323 /nfs/dbraw/zinc/49/73/23/1333497323.db2.gz NEBIFUIKJOXVRP-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948368496 1333497325 /nfs/dbraw/zinc/49/73/25/1333497325.db2.gz NEBIFUIKJOXVRP-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948368496 1333497326 /nfs/dbraw/zinc/49/73/26/1333497326.db2.gz NEBIFUIKJOXVRP-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948374965 1333500883 /nfs/dbraw/zinc/50/08/83/1333500883.db2.gz ZQLLWXNAJNZQEZ-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](CCC(C)(C)C)CC2)CC[N@H+]1C ZINC000948385113 1333503939 /nfs/dbraw/zinc/50/39/39/1333503939.db2.gz JFTHFRBEFGUDHW-FGTMMUONSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CCC(C)(C)C)CC2)CC[NH+]1C ZINC000948385113 1333503940 /nfs/dbraw/zinc/50/39/40/1333503940.db2.gz JFTHFRBEFGUDHW-FGTMMUONSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CCC(C)(C)C)CC2)CC[NH+]1C ZINC000948385113 1333503941 /nfs/dbraw/zinc/50/39/41/1333503941.db2.gz JFTHFRBEFGUDHW-FGTMMUONSA-N 2 1 337.552 3.076 20 0 EGADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000948583171 1333584797 /nfs/dbraw/zinc/58/47/97/1333584797.db2.gz KDOUMAAWKXAPHR-GOSISDBHSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000948767707 1333670611 /nfs/dbraw/zinc/67/06/11/1333670611.db2.gz ZOVJJMXNDGLJCW-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000948767707 1333670614 /nfs/dbraw/zinc/67/06/14/1333670614.db2.gz ZOVJJMXNDGLJCW-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000948767707 1333670616 /nfs/dbraw/zinc/67/06/16/1333670616.db2.gz ZOVJJMXNDGLJCW-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948829687 1333701893 /nfs/dbraw/zinc/70/18/93/1333701893.db2.gz STFCJYRMNICPJE-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948829687 1333701894 /nfs/dbraw/zinc/70/18/94/1333701894.db2.gz STFCJYRMNICPJE-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948829687 1333701897 /nfs/dbraw/zinc/70/18/97/1333701897.db2.gz STFCJYRMNICPJE-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948852369 1333710243 /nfs/dbraw/zinc/71/02/43/1333710243.db2.gz MDPCDOPGHLLQPO-LJQANCHMSA-N 2 1 331.504 3.083 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1C[NH+](CCCC2CCC2)C1 ZINC000950707907 1334119683 /nfs/dbraw/zinc/11/96/83/1334119683.db2.gz COADTCGKYRTZDY-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C1C[NH+](CCCC2CCC2)C1 ZINC000950707907 1334119685 /nfs/dbraw/zinc/11/96/85/1334119685.db2.gz COADTCGKYRTZDY-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1C[NH+](CCC(C)C)C1 ZINC000951362538 1334231107 /nfs/dbraw/zinc/23/11/07/1334231107.db2.gz SYOCFVXLNQDBGS-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1C[NH+](CCC(C)C)C1 ZINC000951362538 1334231112 /nfs/dbraw/zinc/23/11/12/1334231112.db2.gz SYOCFVXLNQDBGS-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H]1CC[N@@H+](CCC2CCCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968378673 1335910268 /nfs/dbraw/zinc/91/02/68/1335910268.db2.gz RMASRTQULDKLAY-FXAWDEMLSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCCC1CCC1 ZINC000968782708 1336048734 /nfs/dbraw/zinc/04/87/34/1336048734.db2.gz YQQCCUHOQDTRRJ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCCC1CCC1 ZINC000968782708 1336048736 /nfs/dbraw/zinc/04/87/36/1336048736.db2.gz YQQCCUHOQDTRRJ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCCC1CCC1 ZINC000968782708 1336048738 /nfs/dbraw/zinc/04/87/38/1336048738.db2.gz YQQCCUHOQDTRRJ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCC1 ZINC000968849633 1336067958 /nfs/dbraw/zinc/06/79/58/1336067958.db2.gz BYCZRNRIOUYDOL-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCC1 ZINC000968849633 1336067962 /nfs/dbraw/zinc/06/79/62/1336067962.db2.gz BYCZRNRIOUYDOL-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCC1 ZINC000968849633 1336067964 /nfs/dbraw/zinc/06/79/64/1336067964.db2.gz BYCZRNRIOUYDOL-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC2=CCCCC2)CC[N@H+]1C ZINC000968866390 1336072178 /nfs/dbraw/zinc/07/21/78/1336072178.db2.gz HFHFJAQCBRXAHO-YZGWKJHDSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC2=CCCCC2)CC[NH+]1C ZINC000968866390 1336072180 /nfs/dbraw/zinc/07/21/80/1336072180.db2.gz HFHFJAQCBRXAHO-YZGWKJHDSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC2=CCCCC2)CC[NH+]1C ZINC000968866390 1336072183 /nfs/dbraw/zinc/07/21/83/1336072183.db2.gz HFHFJAQCBRXAHO-YZGWKJHDSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968926219 1336092165 /nfs/dbraw/zinc/09/21/65/1336092165.db2.gz XMKVPUYDEHIVPM-INIZCTEOSA-N 2 1 328.460 3.027 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCC2CC2)C1 ZINC000968991355 1336112614 /nfs/dbraw/zinc/11/26/14/1336112614.db2.gz YIOXPBIQNYNACL-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC2CC2)C1 ZINC000968991355 1336112616 /nfs/dbraw/zinc/11/26/16/1336112616.db2.gz YIOXPBIQNYNACL-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CCC2CC2)C1 ZINC000968991355 1336112618 /nfs/dbraw/zinc/11/26/18/1336112618.db2.gz YIOXPBIQNYNACL-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCC2CCCCC2)C1 ZINC000969144423 1336161153 /nfs/dbraw/zinc/16/11/53/1336161153.db2.gz LNECUOQULVGBNT-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC2CCCCC2)C1 ZINC000969144423 1336161155 /nfs/dbraw/zinc/16/11/55/1336161155.db2.gz LNECUOQULVGBNT-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CCC2CCCCC2)C1 ZINC000969144423 1336161156 /nfs/dbraw/zinc/16/11/56/1336161156.db2.gz LNECUOQULVGBNT-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[N@@H+](CCc2ccc(Br)cc2)CC[C@H]1C[NH3+] ZINC001205603546 1370807429 /nfs/dbraw/zinc/80/74/29/1370807429.db2.gz QAYUEHFXLQLELU-HIFRSBDPSA-N 2 1 325.294 3.298 20 0 EGADMP CN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1CC[NH+](CC2CCCC2)CC1 ZINC001006120379 1336454803 /nfs/dbraw/zinc/45/48/03/1336454803.db2.gz QNHFUMZDFWRLTQ-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCCC2CCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001007797559 1336702463 /nfs/dbraw/zinc/70/24/63/1336702463.db2.gz BKUSSINGIWKPLX-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CC3CCCCCC3)C2)CC[N@H+]1C ZINC001008299097 1336817735 /nfs/dbraw/zinc/81/77/35/1336817735.db2.gz MGJQEBBKFXQYMM-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001008299097 1336817737 /nfs/dbraw/zinc/81/77/37/1336817737.db2.gz MGJQEBBKFXQYMM-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001008299097 1336817738 /nfs/dbraw/zinc/81/77/38/1336817738.db2.gz MGJQEBBKFXQYMM-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001008344774 1336828412 /nfs/dbraw/zinc/82/84/12/1336828412.db2.gz SRUWOZXVEZERFZ-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001008344774 1336828416 /nfs/dbraw/zinc/82/84/16/1336828416.db2.gz SRUWOZXVEZERFZ-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001008530308 1336876429 /nfs/dbraw/zinc/87/64/29/1336876429.db2.gz IXGVDAOIKWTWQT-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001008530308 1336876430 /nfs/dbraw/zinc/87/64/30/1336876430.db2.gz IXGVDAOIKWTWQT-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001008530308 1336876432 /nfs/dbraw/zinc/87/64/32/1336876432.db2.gz IXGVDAOIKWTWQT-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001008549974 1336879394 /nfs/dbraw/zinc/87/93/94/1336879394.db2.gz IEWUZJOOJVUOHC-LJQANCHMSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001008749978 1336920028 /nfs/dbraw/zinc/92/00/28/1336920028.db2.gz SXCXMFSWCOQLDL-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001008757632 1336921305 /nfs/dbraw/zinc/92/13/05/1336921305.db2.gz YVYFVLZTCLKINO-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001008757632 1336921306 /nfs/dbraw/zinc/92/13/06/1336921306.db2.gz YVYFVLZTCLKINO-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001008757632 1336921308 /nfs/dbraw/zinc/92/13/08/1336921308.db2.gz YVYFVLZTCLKINO-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001009052869 1336961056 /nfs/dbraw/zinc/96/10/56/1336961056.db2.gz VGEKQYRCQHKXHL-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014731186 1337889874 /nfs/dbraw/zinc/88/98/74/1337889874.db2.gz ZWMVJGIWIUJBME-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014731186 1337889877 /nfs/dbraw/zinc/88/98/77/1337889877.db2.gz ZWMVJGIWIUJBME-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014731186 1337889881 /nfs/dbraw/zinc/88/98/81/1337889881.db2.gz ZWMVJGIWIUJBME-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CCC3CCCCC3)C2)C1 ZINC001015596261 1338199700 /nfs/dbraw/zinc/19/97/00/1338199700.db2.gz AEFCILHQKURZIY-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCC3CCCCC3)C2)C1 ZINC001015596261 1338199703 /nfs/dbraw/zinc/19/97/03/1338199703.db2.gz AEFCILHQKURZIY-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001015596261 1338199705 /nfs/dbraw/zinc/19/97/05/1338199705.db2.gz AEFCILHQKURZIY-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001015710987 1338270969 /nfs/dbraw/zinc/27/09/69/1338270969.db2.gz WTUVPYRNPXHAFL-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001015710987 1338270973 /nfs/dbraw/zinc/27/09/73/1338270973.db2.gz WTUVPYRNPXHAFL-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001015710987 1338270976 /nfs/dbraw/zinc/27/09/76/1338270976.db2.gz WTUVPYRNPXHAFL-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001015973931 1338386584 /nfs/dbraw/zinc/38/65/84/1338386584.db2.gz VAWIOQZGHAETSZ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001015973931 1338386585 /nfs/dbraw/zinc/38/65/85/1338386585.db2.gz VAWIOQZGHAETSZ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001015973931 1338386589 /nfs/dbraw/zinc/38/65/89/1338386589.db2.gz VAWIOQZGHAETSZ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001015974110 1338387200 /nfs/dbraw/zinc/38/72/00/1338387200.db2.gz YYSQATKUWDUOPW-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001015974110 1338387206 /nfs/dbraw/zinc/38/72/06/1338387206.db2.gz YYSQATKUWDUOPW-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001015974110 1338387208 /nfs/dbraw/zinc/38/72/08/1338387208.db2.gz YYSQATKUWDUOPW-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001016331108 1338553407 /nfs/dbraw/zinc/55/34/07/1338553407.db2.gz WUKSKAQNHXCTLJ-IBGZPJMESA-N 2 1 343.515 3.133 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001016384263 1338583885 /nfs/dbraw/zinc/58/38/85/1338583885.db2.gz NVZHSJQZFNLBHA-QGZVFWFLSA-N 2 1 349.519 3.362 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016703343 1338696472 /nfs/dbraw/zinc/69/64/72/1338696472.db2.gz XFAYMUXFFIPWIO-RTBURBONSA-N 2 1 347.547 3.044 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001016793351 1338729088 /nfs/dbraw/zinc/72/90/88/1338729088.db2.gz KKGROIXBIXUXMJ-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001017129245 1338885161 /nfs/dbraw/zinc/88/51/61/1338885161.db2.gz YLFCCIGWWAFKPH-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001017129245 1338885168 /nfs/dbraw/zinc/88/51/68/1338885168.db2.gz YLFCCIGWWAFKPH-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001017129245 1338885173 /nfs/dbraw/zinc/88/51/73/1338885173.db2.gz YLFCCIGWWAFKPH-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176736 1339522581 /nfs/dbraw/zinc/52/25/81/1339522581.db2.gz OQOOWLZFNKGGBT-WTGUMLROSA-N 2 1 349.563 3.218 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001018872723 1339741364 /nfs/dbraw/zinc/74/13/64/1339741364.db2.gz HGVQHDACPPYTQD-RDJZCZTQSA-N 2 1 346.519 3.023 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CCC1CC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093874 1340422536 /nfs/dbraw/zinc/42/25/36/1340422536.db2.gz PUHKYGNDGCHSDA-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CCC1CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093874 1340422539 /nfs/dbraw/zinc/42/25/39/1340422539.db2.gz PUHKYGNDGCHSDA-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CCC1CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093874 1340422540 /nfs/dbraw/zinc/42/25/40/1340422540.db2.gz PUHKYGNDGCHSDA-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137309 1340449851 /nfs/dbraw/zinc/44/98/51/1340449851.db2.gz ISADMYKYJYWUJJ-PXNSSMCTSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1=CCCCC1 ZINC001028181015 1340470880 /nfs/dbraw/zinc/47/08/80/1340470880.db2.gz LVUQHUTWTIVAMX-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001028181015 1340470884 /nfs/dbraw/zinc/47/08/84/1340470884.db2.gz LVUQHUTWTIVAMX-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001028181015 1340470886 /nfs/dbraw/zinc/47/08/86/1340470886.db2.gz LVUQHUTWTIVAMX-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC=C(C)C ZINC001028251653 1340512662 /nfs/dbraw/zinc/51/26/62/1340512662.db2.gz IUXOFOICUTZGQP-RBUKOAKNSA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC=C(C)C ZINC001028251653 1340512667 /nfs/dbraw/zinc/51/26/67/1340512667.db2.gz IUXOFOICUTZGQP-RBUKOAKNSA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC=C(C)C ZINC001028251653 1340512671 /nfs/dbraw/zinc/51/26/71/1340512671.db2.gz IUXOFOICUTZGQP-RBUKOAKNSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594093 1340719166 /nfs/dbraw/zinc/71/91/66/1340719166.db2.gz AQZGBEHFZVBXLP-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594093 1340719170 /nfs/dbraw/zinc/71/91/70/1340719170.db2.gz AQZGBEHFZVBXLP-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594093 1340719175 /nfs/dbraw/zinc/71/91/75/1340719175.db2.gz AQZGBEHFZVBXLP-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001028644524 1340740224 /nfs/dbraw/zinc/74/02/24/1340740224.db2.gz BBRLTNUGJVNPJB-KRWDZBQOSA-N 2 1 342.487 3.131 20 0 EGADMP O=C(NC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001028659083 1340745547 /nfs/dbraw/zinc/74/55/47/1340745547.db2.gz NVTYZNBGKFTMET-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC([C@H](C)[NH2+]C(C)C)CC1 ZINC001029100713 1340929943 /nfs/dbraw/zinc/92/99/43/1340929943.db2.gz CYZWNDUILIUGOE-HOTGVXAUSA-N 2 1 334.508 3.022 20 0 EGADMP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001029111354 1340932329 /nfs/dbraw/zinc/93/23/29/1340932329.db2.gz GTBIZTHTFWJTHX-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001029306219 1340969687 /nfs/dbraw/zinc/96/96/87/1340969687.db2.gz MQVHKNJMIYGNQX-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001029306219 1340969688 /nfs/dbraw/zinc/96/96/88/1340969688.db2.gz MQVHKNJMIYGNQX-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001029306219 1340969689 /nfs/dbraw/zinc/96/96/89/1340969689.db2.gz MQVHKNJMIYGNQX-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1ccccc1C)[NH+](C)C ZINC001029478227 1340998430 /nfs/dbraw/zinc/99/84/30/1340998430.db2.gz GDASYSCWFTZTKA-XSYGEPLQSA-N 2 1 343.515 3.071 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001029596273 1341018603 /nfs/dbraw/zinc/01/86/03/1341018603.db2.gz HOIMKHOHVBZNHW-ZCNNSNEGSA-N 2 1 345.531 3.036 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001029596273 1341018604 /nfs/dbraw/zinc/01/86/04/1341018604.db2.gz HOIMKHOHVBZNHW-ZCNNSNEGSA-N 2 1 345.531 3.036 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001029596273 1341018605 /nfs/dbraw/zinc/01/86/05/1341018605.db2.gz HOIMKHOHVBZNHW-ZCNNSNEGSA-N 2 1 345.531 3.036 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029750413 1341063516 /nfs/dbraw/zinc/06/35/16/1341063516.db2.gz GXBBHCSJHOXTLW-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029750413 1341063517 /nfs/dbraw/zinc/06/35/17/1341063517.db2.gz GXBBHCSJHOXTLW-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029750413 1341063518 /nfs/dbraw/zinc/06/35/18/1341063518.db2.gz GXBBHCSJHOXTLW-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H](C[N@H+](C)CC2CCCCCC2)C1)C1CCC1 ZINC001029755645 1341064340 /nfs/dbraw/zinc/06/43/40/1341064340.db2.gz RAEIHUXIJONMTK-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)CC1CCCCCC1 ZINC001029755645 1341064341 /nfs/dbraw/zinc/06/43/41/1341064341.db2.gz RAEIHUXIJONMTK-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)CC1CCCCCC1 ZINC001029755645 1341064342 /nfs/dbraw/zinc/06/43/42/1341064342.db2.gz RAEIHUXIJONMTK-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029910345 1341113679 /nfs/dbraw/zinc/11/36/79/1341113679.db2.gz HKNMURFBQIDOHG-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001029910345 1341113680 /nfs/dbraw/zinc/11/36/80/1341113680.db2.gz HKNMURFBQIDOHG-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001029910345 1341113681 /nfs/dbraw/zinc/11/36/81/1341113681.db2.gz HKNMURFBQIDOHG-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2C)CC1)[NH+](C)C ZINC001029996847 1341151404 /nfs/dbraw/zinc/15/14/04/1341151404.db2.gz PGXGKXYPHOCPTE-FQEVSTJZSA-N 2 1 345.531 3.006 20 0 EGADMP C[N@@H+](CC1CCN(C(=O)C[NH+]2CCCC2)CC1)CC1CCCCCC1 ZINC001030013387 1341158032 /nfs/dbraw/zinc/15/80/32/1341158032.db2.gz GRMFOUVBAJOZBT-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001030401659 1341184706 /nfs/dbraw/zinc/18/47/06/1341184706.db2.gz WWDHAVZSENPYSY-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001030401659 1341184707 /nfs/dbraw/zinc/18/47/07/1341184707.db2.gz WWDHAVZSENPYSY-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H](C(=O)NC1C[NH+](CC2CCC(C)(C)CC2)C1)[NH+]1CCCCCC1 ZINC001031045551 1341269031 /nfs/dbraw/zinc/26/90/31/1341269031.db2.gz ODBPNGQUAVAQMY-QGZVFWFLSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCC2=CCCCC2)C1 ZINC001031234807 1341301424 /nfs/dbraw/zinc/30/14/24/1341301424.db2.gz IQWMLISDVXMPEY-FQEVSTJZSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCC2=CCCCC2)C1 ZINC001031234807 1341301427 /nfs/dbraw/zinc/30/14/27/1341301427.db2.gz IQWMLISDVXMPEY-FQEVSTJZSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCCCCC2)C1 ZINC001031666527 1341385550 /nfs/dbraw/zinc/38/55/50/1341385550.db2.gz PGWBFUKJEADITC-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCC2=CCCCC2)C1 ZINC001031806759 1341404107 /nfs/dbraw/zinc/40/41/07/1341404107.db2.gz NXMWSCJBEBJXFF-HXUWFJFHSA-N 2 1 347.547 3.045 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC(C)(C)C ZINC001032727157 1341593441 /nfs/dbraw/zinc/59/34/41/1341593441.db2.gz ZLVFIHSYGJXOSH-FHWLQOOXSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C ZINC001032727157 1341593443 /nfs/dbraw/zinc/59/34/43/1341593443.db2.gz ZLVFIHSYGJXOSH-FHWLQOOXSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C ZINC001032727157 1341593444 /nfs/dbraw/zinc/59/34/44/1341593444.db2.gz ZLVFIHSYGJXOSH-FHWLQOOXSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032828610 1341628955 /nfs/dbraw/zinc/62/89/55/1341628955.db2.gz XUWBLSLQWMRYTQ-FFZOFVMBSA-N 2 1 343.515 3.156 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001032828610 1341628958 /nfs/dbraw/zinc/62/89/58/1341628958.db2.gz XUWBLSLQWMRYTQ-FFZOFVMBSA-N 2 1 343.515 3.156 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001032828610 1341628960 /nfs/dbraw/zinc/62/89/60/1341628960.db2.gz XUWBLSLQWMRYTQ-FFZOFVMBSA-N 2 1 343.515 3.156 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCCC3CCCC3)C2)CC[N@H+]1C ZINC001033099948 1341722023 /nfs/dbraw/zinc/72/20/23/1341722023.db2.gz TWPRXNNVQCWBIB-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001033099948 1341722024 /nfs/dbraw/zinc/72/20/24/1341722024.db2.gz TWPRXNNVQCWBIB-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001033099948 1341722025 /nfs/dbraw/zinc/72/20/25/1341722025.db2.gz TWPRXNNVQCWBIB-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001033350365 1341791612 /nfs/dbraw/zinc/79/16/12/1341791612.db2.gz AGOPPUQMPHIRJR-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCC3CCCC3)C2)C1 ZINC001033350365 1341791613 /nfs/dbraw/zinc/79/16/13/1341791613.db2.gz AGOPPUQMPHIRJR-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001033350365 1341791614 /nfs/dbraw/zinc/79/16/14/1341791614.db2.gz AGOPPUQMPHIRJR-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033878509 1342055259 /nfs/dbraw/zinc/05/52/59/1342055259.db2.gz LAEJMOPLBMBUGB-GOSISDBHSA-N 2 1 342.487 3.225 20 0 EGADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033897898 1342069488 /nfs/dbraw/zinc/06/94/88/1342069488.db2.gz NIHBJSGDPZHGKN-LJQANCHMSA-N 2 1 340.471 3.061 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034211771 1342321358 /nfs/dbraw/zinc/32/13/58/1342321358.db2.gz OFVIQVYAOLKMFW-SFHVURJKSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034241286 1342341180 /nfs/dbraw/zinc/34/11/80/1342341180.db2.gz XGOMOSOPWFGXQK-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccsc2)C1 ZINC001034241286 1342341182 /nfs/dbraw/zinc/34/11/82/1342341182.db2.gz XGOMOSOPWFGXQK-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccsc2)C1 ZINC001034241286 1342341183 /nfs/dbraw/zinc/34/11/83/1342341183.db2.gz XGOMOSOPWFGXQK-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034269462 1342360497 /nfs/dbraw/zinc/36/04/97/1342360497.db2.gz DXGRUTKTFNYTFF-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034269462 1342360500 /nfs/dbraw/zinc/36/05/00/1342360500.db2.gz DXGRUTKTFNYTFF-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034269462 1342360501 /nfs/dbraw/zinc/36/05/01/1342360501.db2.gz DXGRUTKTFNYTFF-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034269462 1342360504 /nfs/dbraw/zinc/36/05/04/1342360504.db2.gz DXGRUTKTFNYTFF-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034285184 1342373462 /nfs/dbraw/zinc/37/34/62/1342373462.db2.gz QXKJPNQOLQDXQD-NVXWUHKLSA-N 2 1 342.487 3.273 20 0 EGADMP O=C(N[C@H]1CCCC[N@@H+](CC2CCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001034290000 1342376023 /nfs/dbraw/zinc/37/60/23/1342376023.db2.gz CXOLNBSHWCSDCX-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP O=C(N[C@H]1CCCC[N@@H+](CCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001034290819 1342376616 /nfs/dbraw/zinc/37/66/16/1342376616.db2.gz LSXCXWIFFMOSTQ-IBGZPJMESA-N 2 1 347.547 3.166 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[NH+](CCC(C)C)C2)C1 ZINC001034367717 1342437417 /nfs/dbraw/zinc/43/74/17/1342437417.db2.gz HIEXWOOFNMSTDB-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCC(C)C)C2)C1 ZINC001034367717 1342437420 /nfs/dbraw/zinc/43/74/20/1342437420.db2.gz HIEXWOOFNMSTDB-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCC(C)C)C2)C1 ZINC001034367717 1342437422 /nfs/dbraw/zinc/43/74/22/1342437422.db2.gz HIEXWOOFNMSTDB-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC001034606845 1342645197 /nfs/dbraw/zinc/64/51/97/1342645197.db2.gz GDIAGGWHNGRWGQ-VBSBHUPXSA-N 2 1 343.515 3.167 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[C@@H]([NH2+]CC2CC(C)C2)CC1 ZINC001034663353 1342678279 /nfs/dbraw/zinc/67/82/79/1342678279.db2.gz UNVNETLHOLFWJJ-PWKSQPCKSA-N 2 1 349.563 3.312 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034934903 1342843224 /nfs/dbraw/zinc/84/32/24/1342843224.db2.gz YFUKPEKTMGAJNG-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034953702 1342852068 /nfs/dbraw/zinc/85/20/68/1342852068.db2.gz GZPKFZVMEZGZEF-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001035132781 1342948753 /nfs/dbraw/zinc/94/87/53/1342948753.db2.gz DMCHWQAIECNUEZ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035185083 1343000165 /nfs/dbraw/zinc/00/01/65/1343000165.db2.gz RWIKIOMQBWKVLN-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC2(C1)CCN(C(=O)c1sccc1C[NH+](C)C)CC2 ZINC001035190117 1343003815 /nfs/dbraw/zinc/00/38/15/1343003815.db2.gz QUHQWHCFBLBKBB-UHFFFAOYSA-N 2 1 349.544 3.146 20 0 EGADMP CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001035196046 1343009837 /nfs/dbraw/zinc/00/98/37/1343009837.db2.gz QCHZJXURSUWNOX-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035196046 1343009841 /nfs/dbraw/zinc/00/98/41/1343009841.db2.gz QCHZJXURSUWNOX-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001035196046 1343009845 /nfs/dbraw/zinc/00/98/45/1343009845.db2.gz QCHZJXURSUWNOX-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[NH+]1C)CC2 ZINC001035195962 1343010104 /nfs/dbraw/zinc/01/01/04/1343010104.db2.gz MADFVANASXOIBL-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001035195962 1343010110 /nfs/dbraw/zinc/01/01/10/1343010110.db2.gz MADFVANASXOIBL-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)CC2 ZINC001035195962 1343010113 /nfs/dbraw/zinc/01/01/13/1343010113.db2.gz MADFVANASXOIBL-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC2 ZINC001035256554 1343082893 /nfs/dbraw/zinc/08/28/93/1343082893.db2.gz ISOABRLQBGKMLX-OALUTQOASA-N 2 1 347.547 3.140 20 0 EGADMP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001035725586 1343154212 /nfs/dbraw/zinc/15/42/12/1343154212.db2.gz ZLNMASJGTYFHQM-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035742032 1343163414 /nfs/dbraw/zinc/16/34/14/1343163414.db2.gz TXWFHFMJBMSVQX-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001036183874 1343350939 /nfs/dbraw/zinc/35/09/39/1343350939.db2.gz VEPSIEDJPLLOQI-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CC1CCC1 ZINC001036580836 1343564339 /nfs/dbraw/zinc/56/43/39/1343564339.db2.gz IKHGWEQJLPTCCT-FUHWJXTLSA-N 2 1 346.519 3.023 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036730969 1343661267 /nfs/dbraw/zinc/66/12/67/1343661267.db2.gz MCZCVLUBIUFALP-RDJZCZTQSA-N 2 1 349.544 3.146 20 0 EGADMP CC1CC[NH+](CC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCC(C)(C)C)C2)CC1 ZINC001036854706 1343789238 /nfs/dbraw/zinc/78/92/38/1343789238.db2.gz POHRRYVZSRFEHU-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001037216946 1344049398 /nfs/dbraw/zinc/04/93/98/1344049398.db2.gz SXJBVWDIQHOMHT-RBUKOAKNSA-N 2 1 346.519 3.036 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001038241034 1344338657 /nfs/dbraw/zinc/33/86/57/1344338657.db2.gz SBBOHPLZDQXJBA-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001038241034 1344338661 /nfs/dbraw/zinc/33/86/61/1344338661.db2.gz SBBOHPLZDQXJBA-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001038241034 1344338664 /nfs/dbraw/zinc/33/86/64/1344338664.db2.gz SBBOHPLZDQXJBA-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCCC2CCCC2)C1 ZINC001038339864 1344387374 /nfs/dbraw/zinc/38/73/74/1344387374.db2.gz KDGLBIITMBJSAK-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCC2CCCC2)C1 ZINC001038339864 1344387381 /nfs/dbraw/zinc/38/73/81/1344387381.db2.gz KDGLBIITMBJSAK-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCCC2CCCC2)C1 ZINC001038339864 1344387387 /nfs/dbraw/zinc/38/73/87/1344387387.db2.gz KDGLBIITMBJSAK-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CCC1CCCCC1)C12CCC[NH+](CCC1)C2 ZINC001038405048 1344413354 /nfs/dbraw/zinc/41/33/54/1344413354.db2.gz KRLHELCQEQPBBV-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CC1CCCC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038620901 1344508232 /nfs/dbraw/zinc/50/82/32/1344508232.db2.gz FVGPJZRSHGAQBU-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CC1CCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038620901 1344508234 /nfs/dbraw/zinc/50/82/34/1344508234.db2.gz FVGPJZRSHGAQBU-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CC1CCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001038620901 1344508238 /nfs/dbraw/zinc/50/82/38/1344508238.db2.gz FVGPJZRSHGAQBU-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCC1 ZINC001038783392 1344582707 /nfs/dbraw/zinc/58/27/07/1344582707.db2.gz WYWIGMLYWJMFDM-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCC1 ZINC001038783392 1344582709 /nfs/dbraw/zinc/58/27/09/1344582709.db2.gz WYWIGMLYWJMFDM-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCCC1CCC1 ZINC001038783392 1344582712 /nfs/dbraw/zinc/58/27/12/1344582712.db2.gz WYWIGMLYWJMFDM-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CCC2CCCC2)cc1 ZINC001038815869 1344594786 /nfs/dbraw/zinc/59/47/86/1344594786.db2.gz HUPYZDANEIBNRD-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCC1 ZINC001038910173 1344647520 /nfs/dbraw/zinc/64/75/20/1344647520.db2.gz VASGKRMRBQXQKS-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCC1 ZINC001038910173 1344647526 /nfs/dbraw/zinc/64/75/26/1344647526.db2.gz VASGKRMRBQXQKS-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCCC1 ZINC001038910173 1344647532 /nfs/dbraw/zinc/64/75/32/1344647532.db2.gz VASGKRMRBQXQKS-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001039046797 1344732791 /nfs/dbraw/zinc/73/27/91/1344732791.db2.gz BUVLVJUABXIOAD-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001039046797 1344732793 /nfs/dbraw/zinc/73/27/93/1344732793.db2.gz BUVLVJUABXIOAD-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCC2(CC2)CC1 ZINC001039046797 1344732796 /nfs/dbraw/zinc/73/27/96/1344732796.db2.gz BUVLVJUABXIOAD-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167052 1344852942 /nfs/dbraw/zinc/85/29/42/1344852942.db2.gz KXEFQRPPAJDTPM-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039205217 1344915931 /nfs/dbraw/zinc/91/59/31/1344915931.db2.gz NGXXMRJQDROKOP-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039205217 1344915935 /nfs/dbraw/zinc/91/59/35/1344915935.db2.gz NGXXMRJQDROKOP-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039205217 1344915936 /nfs/dbraw/zinc/91/59/36/1344915936.db2.gz NGXXMRJQDROKOP-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243115 1344970196 /nfs/dbraw/zinc/97/01/96/1344970196.db2.gz SNCZIUIZUGLOTA-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CC1)[NH+]1CCCCCC1 ZINC001039939855 1345253234 /nfs/dbraw/zinc/25/32/34/1345253234.db2.gz UOYHDFXPPQQZAB-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CC(C)C)C2 ZINC001040277021 1345408337 /nfs/dbraw/zinc/40/83/37/1345408337.db2.gz TYPYMWCICGUZAM-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(C)C)C2 ZINC001040277021 1345408340 /nfs/dbraw/zinc/40/83/40/1345408340.db2.gz TYPYMWCICGUZAM-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC(C)C)C2 ZINC001040277021 1345408344 /nfs/dbraw/zinc/40/83/44/1345408344.db2.gz TYPYMWCICGUZAM-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040355747 1345450717 /nfs/dbraw/zinc/45/07/17/1345450717.db2.gz DDMYOTIEFARWAP-IRFCIJBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001040355747 1345450720 /nfs/dbraw/zinc/45/07/20/1345450720.db2.gz DDMYOTIEFARWAP-IRFCIJBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001040355747 1345450722 /nfs/dbraw/zinc/45/07/22/1345450722.db2.gz DDMYOTIEFARWAP-IRFCIJBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](C(C)C)C2)[NH+]1CCCCC1 ZINC001040545068 1345539932 /nfs/dbraw/zinc/53/99/32/1345539932.db2.gz MKSCYJMFEPCHJN-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@H](C)CC)CC2 ZINC001040723733 1345570868 /nfs/dbraw/zinc/57/08/68/1345570868.db2.gz LDUGFYWDIOAOSC-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@@H](C)CC)CC2 ZINC001040723723 1345570921 /nfs/dbraw/zinc/57/09/21/1345570921.db2.gz LDUGFYWDIOAOSC-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CC=C(C)C)CC2 ZINC001040725100 1345571424 /nfs/dbraw/zinc/57/14/24/1345571424.db2.gz XGBCEEVPNBIAAH-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001040733231 1345572114 /nfs/dbraw/zinc/57/21/14/1345572114.db2.gz QQRFJRAMUONNLH-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CCC(C)C)CC2 ZINC001040953633 1345609572 /nfs/dbraw/zinc/60/95/72/1345609572.db2.gz QZCJAIFXSQRBFR-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357368 1345709036 /nfs/dbraw/zinc/70/90/36/1345709036.db2.gz GVBJKXMOEGNNII-TZIWHRDSSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041357368 1345709042 /nfs/dbraw/zinc/70/90/42/1345709042.db2.gz GVBJKXMOEGNNII-TZIWHRDSSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001041357368 1345709044 /nfs/dbraw/zinc/70/90/44/1345709044.db2.gz GVBJKXMOEGNNII-TZIWHRDSSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041357750 1345709548 /nfs/dbraw/zinc/70/95/48/1345709548.db2.gz INMMGTGBGKEMJU-TZIWHRDSSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357750 1345709550 /nfs/dbraw/zinc/70/95/50/1345709550.db2.gz INMMGTGBGKEMJU-TZIWHRDSSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357750 1345709552 /nfs/dbraw/zinc/70/95/52/1345709552.db2.gz INMMGTGBGKEMJU-TZIWHRDSSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CCCC3CCC3)C2)C1)[NH+](C)C ZINC001041377719 1345712545 /nfs/dbraw/zinc/71/25/45/1345712545.db2.gz DUJQUIYWAKWSCW-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001042748830 1346111441 /nfs/dbraw/zinc/11/14/41/1346111441.db2.gz ULURPSJAINIZFG-SLFFLAALSA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001042748830 1346111442 /nfs/dbraw/zinc/11/14/42/1346111442.db2.gz ULURPSJAINIZFG-SLFFLAALSA-N 2 1 343.515 3.011 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044627605 1346386658 /nfs/dbraw/zinc/38/66/58/1346386658.db2.gz ASYLIKZWJQAWHW-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044630359 1346388006 /nfs/dbraw/zinc/38/80/06/1346388006.db2.gz VWXZFTYSQJJBCP-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C[C@H]1C ZINC001044684370 1346402985 /nfs/dbraw/zinc/40/29/85/1346402985.db2.gz JISTXJUDABWRGH-APWZRJJASA-N 2 1 344.503 3.051 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C[C@@H]1C ZINC001044863201 1346448633 /nfs/dbraw/zinc/44/86/33/1346448633.db2.gz FZRUJMNMXMCEDY-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045104226 1346495445 /nfs/dbraw/zinc/49/54/45/1346495445.db2.gz VJUCVSRFRQHSNJ-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC001045444560 1346595049 /nfs/dbraw/zinc/59/50/49/1346595049.db2.gz PGMDDWYMLRZJRK-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1(C)CC[NH+](CC2CCCCCC2)CC1 ZINC001045557369 1346628709 /nfs/dbraw/zinc/62/87/09/1346628709.db2.gz IMQGEXVIHBZKPY-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001045731476 1346681846 /nfs/dbraw/zinc/68/18/46/1346681846.db2.gz HWGYGGUENXVXEG-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001045731476 1346681850 /nfs/dbraw/zinc/68/18/50/1346681850.db2.gz HWGYGGUENXVXEG-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001045731476 1346681855 /nfs/dbraw/zinc/68/18/55/1346681855.db2.gz HWGYGGUENXVXEG-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001045776626 1346695910 /nfs/dbraw/zinc/69/59/10/1346695910.db2.gz YYSMFRFRQBKSJM-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001045776626 1346695911 /nfs/dbraw/zinc/69/59/11/1346695911.db2.gz YYSMFRFRQBKSJM-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001045776626 1346695913 /nfs/dbraw/zinc/69/59/13/1346695913.db2.gz YYSMFRFRQBKSJM-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001045797765 1346700967 /nfs/dbraw/zinc/70/09/67/1346700967.db2.gz ZPFOMMGLBIYOMA-OTWHNJEPSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001045797765 1346700970 /nfs/dbraw/zinc/70/09/70/1346700970.db2.gz ZPFOMMGLBIYOMA-OTWHNJEPSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001045797765 1346700971 /nfs/dbraw/zinc/70/09/71/1346700971.db2.gz ZPFOMMGLBIYOMA-OTWHNJEPSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001045803553 1346702803 /nfs/dbraw/zinc/70/28/03/1346702803.db2.gz YMZKMJVWASCFKY-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001045803553 1346702804 /nfs/dbraw/zinc/70/28/04/1346702804.db2.gz YMZKMJVWASCFKY-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001045803553 1346702806 /nfs/dbraw/zinc/70/28/06/1346702806.db2.gz YMZKMJVWASCFKY-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC1CC[NH+](CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)CC1 ZINC001045869456 1346726624 /nfs/dbraw/zinc/72/66/24/1346726624.db2.gz XGTYAGAVBBYRFT-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@@]2(CC[N@@H+](CC)C2)C1 ZINC001045938972 1346775292 /nfs/dbraw/zinc/77/52/92/1346775292.db2.gz QPCGRVZIPXXTDA-XLIONFOSSA-N 2 1 346.519 3.121 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@@]2(CC[N@H+](CC)C2)C1 ZINC001045938972 1346775295 /nfs/dbraw/zinc/77/52/95/1346775295.db2.gz QPCGRVZIPXXTDA-XLIONFOSSA-N 2 1 346.519 3.121 20 0 EGADMP CC(C)=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001045948635 1346783831 /nfs/dbraw/zinc/78/38/31/1346783831.db2.gz NCHFHGTZVKBZCX-FPOVZHCZSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045948635 1346783833 /nfs/dbraw/zinc/78/38/33/1346783833.db2.gz NCHFHGTZVKBZCX-FPOVZHCZSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045948635 1346783836 /nfs/dbraw/zinc/78/38/36/1346783836.db2.gz NCHFHGTZVKBZCX-FPOVZHCZSA-N 2 1 347.547 3.142 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045965147 1346800377 /nfs/dbraw/zinc/80/03/77/1346800377.db2.gz FGRWNYIIPFDRKW-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001045965147 1346800378 /nfs/dbraw/zinc/80/03/78/1346800378.db2.gz FGRWNYIIPFDRKW-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001045965147 1346800379 /nfs/dbraw/zinc/80/03/79/1346800379.db2.gz FGRWNYIIPFDRKW-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045972250 1346808015 /nfs/dbraw/zinc/80/80/15/1346808015.db2.gz XGOWXERSSJPFBZ-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001045974066 1346810241 /nfs/dbraw/zinc/81/02/41/1346810241.db2.gz XFBACPBGZZOGNG-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@]2(C)CC[NH+](CC(CC)CC)C2)C1 ZINC001046561113 1347017356 /nfs/dbraw/zinc/01/73/56/1347017356.db2.gz DFYIHALIVOYHLN-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@]2(C)CC[N@H+](CC(CC)CC)C2)C1 ZINC001046561113 1347017359 /nfs/dbraw/zinc/01/73/59/1347017359.db2.gz DFYIHALIVOYHLN-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CC(CC)CC)C2)C1 ZINC001046561113 1347017361 /nfs/dbraw/zinc/01/73/61/1347017361.db2.gz DFYIHALIVOYHLN-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046587743 1347028006 /nfs/dbraw/zinc/02/80/06/1347028006.db2.gz HALQVXFFHHDQAV-CTNGQTDRSA-N 2 1 343.515 3.060 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@]2(C)CC[N@@H+](CCC(C)(C)C)C2)c1 ZINC001046852957 1347129963 /nfs/dbraw/zinc/12/99/63/1347129963.db2.gz RIHGQMPQFARKHG-NRFANRHFSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047240943 1347267052 /nfs/dbraw/zinc/26/70/52/1347267052.db2.gz LVGOWAOEUWUDCC-UXHICEINSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001079687171 1357348366 /nfs/dbraw/zinc/34/83/66/1357348366.db2.gz KFKGYFKKLRDGBS-RLLQIKCJSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C ZINC001079687171 1357348369 /nfs/dbraw/zinc/34/83/69/1357348369.db2.gz KFKGYFKKLRDGBS-RLLQIKCJSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C ZINC001079687171 1357348375 /nfs/dbraw/zinc/34/83/75/1357348375.db2.gz KFKGYFKKLRDGBS-RLLQIKCJSA-N 2 1 347.547 3.186 20 0 EGADMP C[C@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC001047863394 1347393377 /nfs/dbraw/zinc/39/33/77/1347393377.db2.gz CUXVOGSSWNOSSX-FUHWJXTLSA-N 2 1 346.519 3.139 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC2CCC2)C1 ZINC001047988527 1347435127 /nfs/dbraw/zinc/43/51/27/1347435127.db2.gz JMAJLWJLCCUARU-AEFFLSMTSA-N 2 1 346.519 3.023 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001048510455 1347573011 /nfs/dbraw/zinc/57/30/11/1347573011.db2.gz MHMRWLZZECSUTD-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001048510455 1347573013 /nfs/dbraw/zinc/57/30/13/1347573013.db2.gz MHMRWLZZECSUTD-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001048510455 1347573015 /nfs/dbraw/zinc/57/30/15/1347573015.db2.gz MHMRWLZZECSUTD-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)CC ZINC001048529968 1347580165 /nfs/dbraw/zinc/58/01/65/1347580165.db2.gz AEZLYQAQJWDKRG-OUUBHVDSSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)CC ZINC001048529968 1347580167 /nfs/dbraw/zinc/58/01/67/1347580167.db2.gz AEZLYQAQJWDKRG-OUUBHVDSSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001048529968 1347580168 /nfs/dbraw/zinc/58/01/68/1347580168.db2.gz AEZLYQAQJWDKRG-OUUBHVDSSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001048530900 1347580385 /nfs/dbraw/zinc/58/03/85/1347580385.db2.gz DSYSGSOLOSCXGI-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001048530900 1347580389 /nfs/dbraw/zinc/58/03/89/1347580389.db2.gz DSYSGSOLOSCXGI-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001048530900 1347580391 /nfs/dbraw/zinc/58/03/91/1347580391.db2.gz DSYSGSOLOSCXGI-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048583227 1347605709 /nfs/dbraw/zinc/60/57/09/1347605709.db2.gz GZDLNOOZECDUPS-FSGKZVOOSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001048589804 1347609068 /nfs/dbraw/zinc/60/90/68/1347609068.db2.gz AQNJPRNIBNUDMX-KNJMJIDISA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001048589804 1347609069 /nfs/dbraw/zinc/60/90/69/1347609069.db2.gz AQNJPRNIBNUDMX-KNJMJIDISA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001048589804 1347609070 /nfs/dbraw/zinc/60/90/70/1347609070.db2.gz AQNJPRNIBNUDMX-KNJMJIDISA-N 2 1 349.563 3.266 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001048601030 1347614474 /nfs/dbraw/zinc/61/44/74/1347614474.db2.gz YFLUZIFBILVTRD-UFYCRDLUSA-N 2 1 349.563 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC001049507244 1347883627 /nfs/dbraw/zinc/88/36/27/1347883627.db2.gz FHCRJZQTMDGMFP-GUDVDZBRSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049507244 1347883630 /nfs/dbraw/zinc/88/36/30/1347883630.db2.gz FHCRJZQTMDGMFP-GUDVDZBRSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(C)(C)C ZINC001049507244 1347883633 /nfs/dbraw/zinc/88/36/33/1347883633.db2.gz FHCRJZQTMDGMFP-GUDVDZBRSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC2=CCCCC2)CCC1 ZINC001049518790 1347888504 /nfs/dbraw/zinc/88/85/04/1347888504.db2.gz VTZFSHYLIQIHRF-OALUTQOASA-N 2 1 345.531 3.036 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCCCC1)[NH+](C)C ZINC001049550114 1347903530 /nfs/dbraw/zinc/90/35/30/1347903530.db2.gz KEUHZGLOSNRYPS-AQNXPRMDSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049561534 1347910062 /nfs/dbraw/zinc/91/00/62/1347910062.db2.gz MLFRZURVPLTFTQ-MOPGFXCFSA-N 2 1 340.471 3.122 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC1CCCC1 ZINC001049655832 1347957915 /nfs/dbraw/zinc/95/79/15/1347957915.db2.gz RWLVUBXOYGJFBV-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CCCC1 ZINC001049655832 1347957917 /nfs/dbraw/zinc/95/79/17/1347957917.db2.gz RWLVUBXOYGJFBV-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CCCC1 ZINC001049655832 1347957919 /nfs/dbraw/zinc/95/79/19/1347957919.db2.gz RWLVUBXOYGJFBV-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049914013 1348108913 /nfs/dbraw/zinc/10/89/13/1348108913.db2.gz LHGNLCCGWVEYHW-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001050324875 1348228313 /nfs/dbraw/zinc/22/83/13/1348228313.db2.gz FBXZJADXPGIISL-FHWLQOOXSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCC3)CC2)CC[N@H+]1C ZINC001050358609 1348237284 /nfs/dbraw/zinc/23/72/84/1348237284.db2.gz MNBJCTDMWRKWGR-LEAZDLGRSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCCC3)CC2)C1 ZINC001050367227 1348240666 /nfs/dbraw/zinc/24/06/66/1348240666.db2.gz JBLFGDACEZKEMK-IHPCNDPISA-N 2 1 349.563 3.173 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001050550570 1348288203 /nfs/dbraw/zinc/28/82/03/1348288203.db2.gz NGXTWKZDYQXHSG-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001079850607 1357400584 /nfs/dbraw/zinc/40/05/84/1357400584.db2.gz PEYHZCLJVMJINK-NSISKUIASA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001079850607 1357400585 /nfs/dbraw/zinc/40/05/85/1357400585.db2.gz PEYHZCLJVMJINK-NSISKUIASA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001079850607 1357400586 /nfs/dbraw/zinc/40/05/86/1357400586.db2.gz PEYHZCLJVMJINK-NSISKUIASA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052369826 1348534170 /nfs/dbraw/zinc/53/41/70/1348534170.db2.gz VVAONPCMOJBIPT-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001052369826 1348534171 /nfs/dbraw/zinc/53/41/71/1348534171.db2.gz VVAONPCMOJBIPT-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001052369826 1348534172 /nfs/dbraw/zinc/53/41/72/1348534172.db2.gz VVAONPCMOJBIPT-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052448412 1348544220 /nfs/dbraw/zinc/54/42/20/1348544220.db2.gz ZADLTIOPUYVZES-IRXDYDNUSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052448412 1348544222 /nfs/dbraw/zinc/54/42/22/1348544222.db2.gz ZADLTIOPUYVZES-IRXDYDNUSA-N 2 1 346.519 3.167 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052499214 1348559484 /nfs/dbraw/zinc/55/94/84/1348559484.db2.gz QHYRQGQUWHSZFU-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001052499214 1348559487 /nfs/dbraw/zinc/55/94/87/1348559487.db2.gz QHYRQGQUWHSZFU-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001052499214 1348559488 /nfs/dbraw/zinc/55/94/88/1348559488.db2.gz QHYRQGQUWHSZFU-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052499216 1348559850 /nfs/dbraw/zinc/55/98/50/1348559850.db2.gz QHYRQGQUWHSZFU-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001052499216 1348559852 /nfs/dbraw/zinc/55/98/52/1348559852.db2.gz QHYRQGQUWHSZFU-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001052499216 1348559854 /nfs/dbraw/zinc/55/98/54/1348559854.db2.gz QHYRQGQUWHSZFU-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC001052499534 1348560440 /nfs/dbraw/zinc/56/04/40/1348560440.db2.gz XBYCQKBYZKNZHQ-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC001052499534 1348560442 /nfs/dbraw/zinc/56/04/42/1348560442.db2.gz XBYCQKBYZKNZHQ-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001052499534 1348560444 /nfs/dbraw/zinc/56/04/44/1348560444.db2.gz XBYCQKBYZKNZHQ-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1c(C(=O)N[C@H]2CCC[N@H+](CCC(C)C)CC2)ccc2c[nH+]cn21 ZINC001052506899 1348561410 /nfs/dbraw/zinc/56/14/10/1348561410.db2.gz NMZGPGKDRDBTFU-KRWDZBQOSA-N 2 1 342.487 3.273 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515297 1348563957 /nfs/dbraw/zinc/56/39/57/1348563957.db2.gz CSZRPQITAQGNMS-OALUTQOASA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515297 1348563958 /nfs/dbraw/zinc/56/39/58/1348563958.db2.gz CSZRPQITAQGNMS-OALUTQOASA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515297 1348563960 /nfs/dbraw/zinc/56/39/60/1348563960.db2.gz CSZRPQITAQGNMS-OALUTQOASA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052561507 1348579514 /nfs/dbraw/zinc/57/95/14/1348579514.db2.gz AEGJDNKNEBYKOE-KRWDZBQOSA-N 2 1 342.487 3.355 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052651682 1348614562 /nfs/dbraw/zinc/61/45/62/1348614562.db2.gz LQNBPNMQKNVPIB-IEBWSBKVSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052651682 1348614566 /nfs/dbraw/zinc/61/45/66/1348614566.db2.gz LQNBPNMQKNVPIB-IEBWSBKVSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052651682 1348614569 /nfs/dbraw/zinc/61/45/69/1348614569.db2.gz LQNBPNMQKNVPIB-IEBWSBKVSA-N 2 1 335.536 3.163 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001052711893 1348645238 /nfs/dbraw/zinc/64/52/38/1348645238.db2.gz ATNZUSPKBYAWRO-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001052711893 1348645240 /nfs/dbraw/zinc/64/52/40/1348645240.db2.gz ATNZUSPKBYAWRO-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001052711893 1348645242 /nfs/dbraw/zinc/64/52/42/1348645242.db2.gz ATNZUSPKBYAWRO-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764985 1348670283 /nfs/dbraw/zinc/67/02/83/1348670283.db2.gz UTLMMOPGDSCIOA-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052837774 1348695722 /nfs/dbraw/zinc/69/57/22/1348695722.db2.gz VUIUKUCOQCILRX-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052837527 1348695736 /nfs/dbraw/zinc/69/57/36/1348695736.db2.gz QHXLONSEDRRDGC-IBGZPJMESA-N 2 1 337.552 3.124 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)CC1 ZINC001052937222 1348756376 /nfs/dbraw/zinc/75/63/76/1348756376.db2.gz IPAVNBWACNUZPV-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052937884 1348756813 /nfs/dbraw/zinc/75/68/13/1348756813.db2.gz ONWXMNOLCQMIBK-OALUTQOASA-N 2 1 343.515 3.123 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001052955565 1348769316 /nfs/dbraw/zinc/76/93/16/1348769316.db2.gz HHXYJMXYSIJISW-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001052955565 1348769317 /nfs/dbraw/zinc/76/93/17/1348769317.db2.gz HHXYJMXYSIJISW-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001052955565 1348769321 /nfs/dbraw/zinc/76/93/21/1348769321.db2.gz HHXYJMXYSIJISW-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC001052956806 1348770814 /nfs/dbraw/zinc/77/08/14/1348770814.db2.gz ZDKOJZKWNLQDAD-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001052956806 1348770816 /nfs/dbraw/zinc/77/08/16/1348770816.db2.gz ZDKOJZKWNLQDAD-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001052956806 1348770820 /nfs/dbraw/zinc/77/08/20/1348770820.db2.gz ZDKOJZKWNLQDAD-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC001052956807 1348771083 /nfs/dbraw/zinc/77/10/83/1348771083.db2.gz ZDKOJZKWNLQDAD-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001052956807 1348771086 /nfs/dbraw/zinc/77/10/86/1348771086.db2.gz ZDKOJZKWNLQDAD-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001052956807 1348771087 /nfs/dbraw/zinc/77/10/87/1348771087.db2.gz ZDKOJZKWNLQDAD-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096718 1348927329 /nfs/dbraw/zinc/92/73/29/1348927329.db2.gz YPJATHPPOHWFSU-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054153900 1349157069 /nfs/dbraw/zinc/15/70/69/1349157069.db2.gz MRLOTAKHFYAFEW-QUCCMNQESA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@H+]1Cc2ccc(CNC(=O)c3sccc3C[NH+](C)C)cc2C1 ZINC001054267242 1349264726 /nfs/dbraw/zinc/26/47/26/1349264726.db2.gz JFRICJASGNAKOM-UHFFFAOYSA-N 2 1 343.496 3.075 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001054738249 1349450695 /nfs/dbraw/zinc/45/06/95/1349450695.db2.gz OKAIWWXPPVFVRN-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C(C)C)C1 ZINC001183129573 1387267105 /nfs/dbraw/zinc/26/71/05/1387267105.db2.gz UXUWJVQWBRHSJJ-QWFCFKBJSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071627374 1354811854 /nfs/dbraw/zinc/81/18/54/1354811854.db2.gz DRZUGJJJJRHDON-ZBFHGGJFSA-N 2 1 328.460 3.026 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CC1=CCCCC1 ZINC001071646051 1354824060 /nfs/dbraw/zinc/82/40/60/1354824060.db2.gz RKLQYLOHNGOKQV-HKUYNNGSSA-N 2 1 345.531 3.084 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001071739302 1354889408 /nfs/dbraw/zinc/88/94/08/1354889408.db2.gz QNVLGLJCLXNICK-PKOBYXMFSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CC1CC(C)(C)C1 ZINC001071819241 1354959782 /nfs/dbraw/zinc/95/97/82/1354959782.db2.gz STWMTKMHVOKKMD-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CC1CC(C)(C)C1 ZINC001071819241 1354959788 /nfs/dbraw/zinc/95/97/88/1354959788.db2.gz STWMTKMHVOKKMD-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CC1CC(C)(C)C1 ZINC001071819241 1354959791 /nfs/dbraw/zinc/95/97/91/1354959791.db2.gz STWMTKMHVOKKMD-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)=CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071953882 1355040267 /nfs/dbraw/zinc/04/02/67/1355040267.db2.gz GUDVAEBNOTVTGR-PKOBYXMFSA-N 2 1 335.536 3.042 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001071972910 1355054109 /nfs/dbraw/zinc/05/41/09/1355054109.db2.gz CGIGTQXDPWXGNA-YLJYHZDGSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072098655 1355128482 /nfs/dbraw/zinc/12/84/82/1355128482.db2.gz DLHIITXRSHRQRT-HKUYNNGSSA-N 2 1 343.515 3.297 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072099423 1355129175 /nfs/dbraw/zinc/12/91/75/1355129175.db2.gz QOBDNPHKDKEAIU-HKUYNNGSSA-N 2 1 345.531 3.377 20 0 EGADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C[NH2+]CC1CCCCC1 ZINC001072301475 1355228699 /nfs/dbraw/zinc/22/86/99/1355228699.db2.gz QVRZFKFZFANQKA-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073462641 1355796247 /nfs/dbraw/zinc/79/62/47/1355796247.db2.gz VPBXULIFTIMLFX-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC001074063777 1356062244 /nfs/dbraw/zinc/06/22/44/1356062244.db2.gz SXVUXPJNIWKAOA-IEBWSBKVSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC001074063777 1356062246 /nfs/dbraw/zinc/06/22/46/1356062246.db2.gz SXVUXPJNIWKAOA-IEBWSBKVSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC001074063777 1356062249 /nfs/dbraw/zinc/06/22/49/1356062249.db2.gz SXVUXPJNIWKAOA-IEBWSBKVSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001074075988 1356070646 /nfs/dbraw/zinc/07/06/46/1356070646.db2.gz YFCOQAFVULNPGE-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CC3CCCCC3)[C@@H]2C)C1 ZINC001074684133 1356223928 /nfs/dbraw/zinc/22/39/28/1356223928.db2.gz GQVTYAMUQADSCB-IHPCNDPISA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CCC3CCCCCC3)[C@@H]2C)C1 ZINC001074878105 1356276812 /nfs/dbraw/zinc/27/68/12/1356276812.db2.gz ALYSDKIHEVTGBL-BJLQDIEVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)[C@@H]1C ZINC001074877505 1356276976 /nfs/dbraw/zinc/27/69/76/1356276976.db2.gz CEJLMIXURRVVJG-HBFSDRIKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C)c1ccccc1 ZINC001074878422 1356276991 /nfs/dbraw/zinc/27/69/91/1356276991.db2.gz UFZYHWUIOVCJEK-LNLFQRSKSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CC2CCC(C)CC2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001074882811 1356278359 /nfs/dbraw/zinc/27/83/59/1356278359.db2.gz GYKDSMOQHQLMLT-JEVOJNTISA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001075068767 1356291294 /nfs/dbraw/zinc/29/12/94/1356291294.db2.gz IGRZRLXUHPCRRJ-CUWPLCDZSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCc3ncc[nH]3)CC2)CC1 ZINC001075451415 1356385773 /nfs/dbraw/zinc/38/57/73/1356385773.db2.gz SWDPQKHOWSJIOQ-QGZVFWFLSA-N 2 1 346.519 3.093 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001099298300 1363737011 /nfs/dbraw/zinc/73/70/11/1363737011.db2.gz KMWNKGKOTKQFLO-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1Cc1ccccc1 ZINC001099297830 1363737225 /nfs/dbraw/zinc/73/72/25/1363737225.db2.gz JGMXIISCOIHIEV-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccccc1 ZINC001099297830 1363737229 /nfs/dbraw/zinc/73/72/29/1363737229.db2.gz JGMXIISCOIHIEV-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccccc1 ZINC001099297830 1363737232 /nfs/dbraw/zinc/73/72/32/1363737232.db2.gz JGMXIISCOIHIEV-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC)c1ccccc1 ZINC001099304468 1363740683 /nfs/dbraw/zinc/74/06/83/1363740683.db2.gz QPDFAPHAKSZWLC-RBUKOAKNSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC)c1ccccc1 ZINC001099304468 1363740685 /nfs/dbraw/zinc/74/06/85/1363740685.db2.gz QPDFAPHAKSZWLC-RBUKOAKNSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC)c1ccccc1 ZINC001099304468 1363740689 /nfs/dbraw/zinc/74/06/89/1363740689.db2.gz QPDFAPHAKSZWLC-RBUKOAKNSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC)c1ccccc1 ZINC001099304468 1363740692 /nfs/dbraw/zinc/74/06/92/1363740692.db2.gz QPDFAPHAKSZWLC-RBUKOAKNSA-N 2 1 345.531 3.306 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC(C)C)C[C@H]1C ZINC001080756136 1357733180 /nfs/dbraw/zinc/73/31/80/1357733180.db2.gz JRFAVMNNOANXAZ-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C ZINC001080756136 1357733183 /nfs/dbraw/zinc/73/31/83/1357733183.db2.gz JRFAVMNNOANXAZ-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001080756136 1357733186 /nfs/dbraw/zinc/73/31/86/1357733186.db2.gz JRFAVMNNOANXAZ-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1C ZINC001183279465 1387290384 /nfs/dbraw/zinc/29/03/84/1387290384.db2.gz QOKQPVUUVBBQOW-NRSPTQNISA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001082544546 1358057072 /nfs/dbraw/zinc/05/70/72/1358057072.db2.gz HYLHDLKWLAFKLQ-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001085196957 1358431510 /nfs/dbraw/zinc/43/15/10/1358431510.db2.gz WKJVPNGLCHAWNB-VAMGGRTRSA-N 2 1 349.563 3.457 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2=CCCCC2)C1 ZINC001085332659 1358470117 /nfs/dbraw/zinc/47/01/17/1358470117.db2.gz HSFRWGSTQUCIBQ-DFQSSKMNSA-N 2 1 347.547 3.236 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001085432017 1358498517 /nfs/dbraw/zinc/49/85/17/1358498517.db2.gz DWHYSTYKRFLKPU-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCC1 ZINC001085688146 1358688084 /nfs/dbraw/zinc/68/80/84/1358688084.db2.gz CSHBYIHRQZCQMH-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCC1 ZINC001085688146 1358688088 /nfs/dbraw/zinc/68/80/88/1358688088.db2.gz CSHBYIHRQZCQMH-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001085688146 1358688090 /nfs/dbraw/zinc/68/80/90/1358688090.db2.gz CSHBYIHRQZCQMH-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1=CCCCC1 ZINC001085687553 1358688284 /nfs/dbraw/zinc/68/82/84/1358688284.db2.gz QNLADQXKBHBVLS-VQTJNVASSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001085687553 1358688287 /nfs/dbraw/zinc/68/82/87/1358688287.db2.gz QNLADQXKBHBVLS-VQTJNVASSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1=CCCCC1 ZINC001085687553 1358688295 /nfs/dbraw/zinc/68/82/95/1358688295.db2.gz QNLADQXKBHBVLS-VQTJNVASSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCC1 ZINC001085856444 1358823643 /nfs/dbraw/zinc/82/36/43/1358823643.db2.gz ZBRPJQNQISLVLL-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC001085856444 1358823646 /nfs/dbraw/zinc/82/36/46/1358823646.db2.gz ZBRPJQNQISLVLL-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001085856444 1358823650 /nfs/dbraw/zinc/82/36/50/1358823650.db2.gz ZBRPJQNQISLVLL-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCC(C)(C)C)CC1 ZINC001085901759 1358860085 /nfs/dbraw/zinc/86/00/85/1358860085.db2.gz MBVNCFMXHRUTBM-GOSISDBHSA-N 2 1 337.552 3.076 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001085987735 1358939052 /nfs/dbraw/zinc/93/90/52/1358939052.db2.gz KKWRRXXUIRKZGD-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001085987735 1358939065 /nfs/dbraw/zinc/93/90/65/1358939065.db2.gz KKWRRXXUIRKZGD-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001085987735 1358939079 /nfs/dbraw/zinc/93/90/79/1358939079.db2.gz KKWRRXXUIRKZGD-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086084803 1358991837 /nfs/dbraw/zinc/99/18/37/1358991837.db2.gz GSGXMBDJKHNYJN-RAUXBKROSA-N 2 1 343.515 3.105 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001086415024 1359091376 /nfs/dbraw/zinc/09/13/76/1359091376.db2.gz VRTGUVKOGMWWAP-UFYCRDLUSA-N 2 1 349.563 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001086558790 1359144930 /nfs/dbraw/zinc/14/49/30/1359144930.db2.gz RIUKIIHSLVGXNX-UFYCRDLUSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001086734637 1359193573 /nfs/dbraw/zinc/19/35/73/1359193573.db2.gz NJLYHXZKPAZCGE-ZCNNSNEGSA-N 2 1 349.563 3.316 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086907785 1359236411 /nfs/dbraw/zinc/23/64/11/1359236411.db2.gz BNYSCOREVKADKI-MJGOQNOKSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939053 1359261701 /nfs/dbraw/zinc/26/17/01/1359261701.db2.gz HLACFBYYQIMPQD-FHWLQOOXSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956730 1359277615 /nfs/dbraw/zinc/27/76/15/1359277615.db2.gz WASSAOIEBAUXTO-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CCCCC2)CC[N@H+]1C ZINC001087168334 1359312288 /nfs/dbraw/zinc/31/22/88/1359312288.db2.gz GPQLKYMXGNJRCF-IZBJGVDFSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001087212835 1359322660 /nfs/dbraw/zinc/32/26/60/1359322660.db2.gz RRXADOCDBJTGRK-HBFSDRIKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCCC1 ZINC001087318429 1359409536 /nfs/dbraw/zinc/40/95/36/1359409536.db2.gz XRXFVEPWLSUNMA-YZGWKJHDSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001087523391 1359509625 /nfs/dbraw/zinc/50/96/25/1359509625.db2.gz UNCUVUIMVWKLQG-OTWHNJEPSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC1CCC(C)(C)CC1 ZINC001087523391 1359509631 /nfs/dbraw/zinc/50/96/31/1359509631.db2.gz UNCUVUIMVWKLQG-OTWHNJEPSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CC1CCC(C)(C)CC1 ZINC001087523391 1359509637 /nfs/dbraw/zinc/50/96/37/1359509637.db2.gz UNCUVUIMVWKLQG-OTWHNJEPSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1CC ZINC001087572346 1359537498 /nfs/dbraw/zinc/53/74/98/1359537498.db2.gz MZYHGUUSLDWPKI-OKZBNKHCSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2=CCCCC2)[C@@H]1CC ZINC001087593554 1359547771 /nfs/dbraw/zinc/54/77/71/1359547771.db2.gz LAUWQQYKFYZEIT-XUVXKRRUSA-N 2 1 347.547 3.330 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)[C@@H]1CC ZINC001087593554 1359547774 /nfs/dbraw/zinc/54/77/74/1359547774.db2.gz LAUWQQYKFYZEIT-XUVXKRRUSA-N 2 1 347.547 3.330 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)[C@@H]1CC ZINC001087593554 1359547777 /nfs/dbraw/zinc/54/77/77/1359547777.db2.gz LAUWQQYKFYZEIT-XUVXKRRUSA-N 2 1 347.547 3.330 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671489 1359582273 /nfs/dbraw/zinc/58/22/73/1359582273.db2.gz DSEVXEHXLSORNG-ZCNNSNEGSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[N@H+]1CCC(C)(C)C ZINC001087671992 1359582710 /nfs/dbraw/zinc/58/27/10/1359582710.db2.gz YXCLJEGCNYFXBI-OTWHNJEPSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[N@@H+]1CC1CC(C)C1 ZINC001087746050 1359625671 /nfs/dbraw/zinc/62/56/71/1359625671.db2.gz CXRVHOCOBOGKPI-ZGUYJTEBSA-N 2 1 346.519 3.022 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[N@H+]1CC1CC(C)C1 ZINC001087746050 1359625672 /nfs/dbraw/zinc/62/56/72/1359625672.db2.gz CXRVHOCOBOGKPI-ZGUYJTEBSA-N 2 1 346.519 3.022 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC[N@H+]1CC=C(C)C ZINC001087749625 1359626217 /nfs/dbraw/zinc/62/62/17/1359626217.db2.gz RWWXBIHMXAXHFC-CEXWTWQISA-N 2 1 335.536 3.186 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCC1CCCC1 ZINC001087750007 1359627183 /nfs/dbraw/zinc/62/71/83/1359627183.db2.gz MZDOUALBPHYCNX-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](F)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1CC ZINC001087762734 1359631976 /nfs/dbraw/zinc/63/19/76/1359631976.db2.gz KVSNBLBDPNHHEN-GBESFXJTSA-N 2 1 349.494 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CCC3CC3)C2)C1 ZINC001088367465 1359851521 /nfs/dbraw/zinc/85/15/21/1359851521.db2.gz KQJXCGNDHHZHHL-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001088382028 1359864753 /nfs/dbraw/zinc/86/47/53/1359864753.db2.gz SFEPSBOUOYZLMY-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001088383151 1359865543 /nfs/dbraw/zinc/86/55/43/1359865543.db2.gz WKSAVQQUAIHFPS-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC)C1 ZINC001088411904 1359883264 /nfs/dbraw/zinc/88/32/64/1359883264.db2.gz SUYNBKIQBAETJE-OALUTQOASA-N 2 1 337.552 3.412 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCCCC[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001088413279 1359883982 /nfs/dbraw/zinc/88/39/82/1359883982.db2.gz BXVYYQASBIJZHQ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCCC3CCCC3)[C@@H]2C)CC[N@H+]1C ZINC001088579384 1359978584 /nfs/dbraw/zinc/97/85/84/1359978584.db2.gz DHJGQKSMZPCGBW-BTHPGYMESA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCCC3CCCC3)[C@@H]2C)CC[NH+]1C ZINC001088579384 1359978585 /nfs/dbraw/zinc/97/85/85/1359978585.db2.gz DHJGQKSMZPCGBW-BTHPGYMESA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCC3CCCC3)[C@@H]2C)CC[NH+]1C ZINC001088579384 1359978588 /nfs/dbraw/zinc/97/85/88/1359978588.db2.gz DHJGQKSMZPCGBW-BTHPGYMESA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001088605212 1359989237 /nfs/dbraw/zinc/98/92/37/1359989237.db2.gz LGNJFSZPWSKOIU-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H]1C ZINC001088605212 1359989241 /nfs/dbraw/zinc/98/92/41/1359989241.db2.gz LGNJFSZPWSKOIU-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)[C@@H]1C ZINC001088605212 1359989244 /nfs/dbraw/zinc/98/92/44/1359989244.db2.gz LGNJFSZPWSKOIU-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1CC1CCCC1 ZINC001088621933 1359994379 /nfs/dbraw/zinc/99/43/79/1359994379.db2.gz AFZYESPVPYWTDU-LSTHTHJFSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1CC1CCCC1 ZINC001088621933 1359994383 /nfs/dbraw/zinc/99/43/83/1359994383.db2.gz AFZYESPVPYWTDU-LSTHTHJFSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1CC1CCCC1 ZINC001088621933 1359994389 /nfs/dbraw/zinc/99/43/89/1359994389.db2.gz AFZYESPVPYWTDU-LSTHTHJFSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1CC2(CCC2)C1 ZINC001088792647 1360045684 /nfs/dbraw/zinc/04/56/84/1360045684.db2.gz ZRIHJNGNBRZKKH-AEFFLSMTSA-N 2 1 347.547 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2csc(C)c2)[C@@H]1C ZINC001089060805 1360152724 /nfs/dbraw/zinc/15/27/24/1360152724.db2.gz HOYQUYIOXBVZLR-BPQIPLTHSA-N 2 1 349.544 3.010 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2csc(C)c2)[C@@H]1C ZINC001089060805 1360152729 /nfs/dbraw/zinc/15/27/29/1360152729.db2.gz HOYQUYIOXBVZLR-BPQIPLTHSA-N 2 1 349.544 3.010 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2csc(C)c2)[C@@H]1C ZINC001089060805 1360152733 /nfs/dbraw/zinc/15/27/33/1360152733.db2.gz HOYQUYIOXBVZLR-BPQIPLTHSA-N 2 1 349.544 3.010 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC2CCC2)C1 ZINC001089185233 1360235647 /nfs/dbraw/zinc/23/56/47/1360235647.db2.gz CPVRTMZWTRQANH-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[N@H+](C)CC2CCC2)C1 ZINC001089185233 1360235650 /nfs/dbraw/zinc/23/56/50/1360235650.db2.gz CPVRTMZWTRQANH-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CCC2)C1 ZINC001089185233 1360235653 /nfs/dbraw/zinc/23/56/53/1360235653.db2.gz CPVRTMZWTRQANH-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CC1CCCCC1)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001089215013 1360260653 /nfs/dbraw/zinc/26/06/53/1360260653.db2.gz GGILOQSQNHCNIF-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001089215013 1360260657 /nfs/dbraw/zinc/26/06/57/1360260657.db2.gz GGILOQSQNHCNIF-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001089215013 1360260658 /nfs/dbraw/zinc/26/06/58/1360260658.db2.gz GGILOQSQNHCNIF-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)CC(C)(C)C1 ZINC001089333640 1360347102 /nfs/dbraw/zinc/34/71/02/1360347102.db2.gz BMNJSPFOWBXHNK-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)CC(C)(C)C1 ZINC001089333640 1360347106 /nfs/dbraw/zinc/34/71/06/1360347106.db2.gz BMNJSPFOWBXHNK-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)CC(C)(C)C1 ZINC001089333640 1360347110 /nfs/dbraw/zinc/34/71/10/1360347110.db2.gz BMNJSPFOWBXHNK-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)CC(C)(C)C1 ZINC001089333631 1360347506 /nfs/dbraw/zinc/34/75/06/1360347506.db2.gz BMDNQPFJSGRHMR-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)CC(C)(C)C1 ZINC001089333631 1360347510 /nfs/dbraw/zinc/34/75/10/1360347510.db2.gz BMDNQPFJSGRHMR-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)CC(C)(C)C1 ZINC001089333631 1360347514 /nfs/dbraw/zinc/34/75/14/1360347514.db2.gz BMDNQPFJSGRHMR-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089381818 1360384456 /nfs/dbraw/zinc/38/44/56/1360384456.db2.gz OQYFEPHJKQUMIW-RBUKOAKNSA-N 2 1 349.563 3.432 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089381818 1360384458 /nfs/dbraw/zinc/38/44/58/1360384458.db2.gz OQYFEPHJKQUMIW-RBUKOAKNSA-N 2 1 349.563 3.432 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089381818 1360384460 /nfs/dbraw/zinc/38/44/60/1360384460.db2.gz OQYFEPHJKQUMIW-RBUKOAKNSA-N 2 1 349.563 3.432 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383403 1360385693 /nfs/dbraw/zinc/38/56/93/1360385693.db2.gz YCFANCNTTFZFBA-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089383403 1360385697 /nfs/dbraw/zinc/38/56/97/1360385697.db2.gz YCFANCNTTFZFBA-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089383403 1360385703 /nfs/dbraw/zinc/38/57/03/1360385703.db2.gz YCFANCNTTFZFBA-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC(C)(C)C1 ZINC001089386970 1360387716 /nfs/dbraw/zinc/38/77/16/1360387716.db2.gz WAZKIHFIIGYXFO-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC(C)(C)C1 ZINC001089386970 1360387718 /nfs/dbraw/zinc/38/77/18/1360387718.db2.gz WAZKIHFIIGYXFO-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC(C)(C)C1 ZINC001089386970 1360387719 /nfs/dbraw/zinc/38/77/19/1360387719.db2.gz WAZKIHFIIGYXFO-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC(C)(C)C1 ZINC001089386964 1360387857 /nfs/dbraw/zinc/38/78/57/1360387857.db2.gz WAZKIHFIIGYXFO-MSOLQXFVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC(C)(C)C1 ZINC001089386964 1360387859 /nfs/dbraw/zinc/38/78/59/1360387859.db2.gz WAZKIHFIIGYXFO-MSOLQXFVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC(C)(C)C1 ZINC001089386964 1360387863 /nfs/dbraw/zinc/38/78/63/1360387863.db2.gz WAZKIHFIIGYXFO-MSOLQXFVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089487140 1360467914 /nfs/dbraw/zinc/46/79/14/1360467914.db2.gz HWOOAYNZFJWVMY-GOSISDBHSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089487140 1360467916 /nfs/dbraw/zinc/46/79/16/1360467916.db2.gz HWOOAYNZFJWVMY-GOSISDBHSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089487140 1360467917 /nfs/dbraw/zinc/46/79/17/1360467917.db2.gz HWOOAYNZFJWVMY-GOSISDBHSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC(C)(C)C1 ZINC001089538227 1360496707 /nfs/dbraw/zinc/49/67/07/1360496707.db2.gz VGTRLFZQWHQODC-LJQANCHMSA-N 2 1 349.563 3.124 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCC3CCCC3)CC(C)(C)C2)C1 ZINC001089559890 1360507228 /nfs/dbraw/zinc/50/72/28/1360507228.db2.gz SVPGWRFSDNNEFD-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CCC3CCCC3)CC(C)(C)C2)C1 ZINC001089559890 1360507230 /nfs/dbraw/zinc/50/72/30/1360507230.db2.gz SVPGWRFSDNNEFD-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC3CCCC3)CC(C)(C)C2)C1 ZINC001089559890 1360507232 /nfs/dbraw/zinc/50/72/32/1360507232.db2.gz SVPGWRFSDNNEFD-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1=CCCCC1 ZINC001089617488 1360536775 /nfs/dbraw/zinc/53/67/75/1360536775.db2.gz AFRSGUWOVONVQQ-MOPGFXCFSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1=CCCCC1 ZINC001089617488 1360536777 /nfs/dbraw/zinc/53/67/77/1360536777.db2.gz AFRSGUWOVONVQQ-MOPGFXCFSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1=CCCCC1 ZINC001089617488 1360536779 /nfs/dbraw/zinc/53/67/79/1360536779.db2.gz AFRSGUWOVONVQQ-MOPGFXCFSA-N 2 1 347.547 3.188 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001089616426 1360536881 /nfs/dbraw/zinc/53/68/81/1360536881.db2.gz GVAPRMBVMMPNJT-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001089616426 1360536882 /nfs/dbraw/zinc/53/68/82/1360536882.db2.gz GVAPRMBVMMPNJT-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001089616426 1360536886 /nfs/dbraw/zinc/53/68/86/1360536886.db2.gz GVAPRMBVMMPNJT-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001089645856 1360558164 /nfs/dbraw/zinc/55/81/64/1360558164.db2.gz BQYLGONYWPCZGS-RBUKOAKNSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC=C(C)C ZINC001089645856 1360558168 /nfs/dbraw/zinc/55/81/68/1360558168.db2.gz BQYLGONYWPCZGS-RBUKOAKNSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC=C(C)C ZINC001089645856 1360558171 /nfs/dbraw/zinc/55/81/71/1360558171.db2.gz BQYLGONYWPCZGS-RBUKOAKNSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001089659213 1360570392 /nfs/dbraw/zinc/57/03/92/1360570392.db2.gz VKMSREIBSIFPHH-ROUUACIJSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001089659213 1360570397 /nfs/dbraw/zinc/57/03/97/1360570397.db2.gz VKMSREIBSIFPHH-ROUUACIJSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089659213 1360570399 /nfs/dbraw/zinc/57/03/99/1360570399.db2.gz VKMSREIBSIFPHH-ROUUACIJSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089659213 1360570405 /nfs/dbraw/zinc/57/04/05/1360570405.db2.gz VKMSREIBSIFPHH-ROUUACIJSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001089710082 1360614400 /nfs/dbraw/zinc/61/44/00/1360614400.db2.gz ANQTVXPQNJZTFD-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001091059158 1360987570 /nfs/dbraw/zinc/98/75/70/1360987570.db2.gz FQISUIWKNHPFTE-SOAGJPPSSA-N 2 1 347.547 3.236 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091672031 1361177003 /nfs/dbraw/zinc/17/70/03/1361177003.db2.gz DCZNHYHTJNGVPB-NQIIRXRSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001092604556 1361420443 /nfs/dbraw/zinc/42/04/43/1361420443.db2.gz MHZYPCGBFFOQHB-RLLQIKCJSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001092604556 1361420447 /nfs/dbraw/zinc/42/04/47/1361420447.db2.gz MHZYPCGBFFOQHB-RLLQIKCJSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C ZINC001092604556 1361420450 /nfs/dbraw/zinc/42/04/50/1361420450.db2.gz MHZYPCGBFFOQHB-RLLQIKCJSA-N 2 1 347.547 3.044 20 0 EGADMP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1C ZINC001184711897 1387517161 /nfs/dbraw/zinc/51/71/61/1387517161.db2.gz HVMWADUPVNLQGB-WMZOPIPTSA-N 2 1 339.568 3.227 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)C)CC2 ZINC001094429995 1361798797 /nfs/dbraw/zinc/79/87/97/1361798797.db2.gz CTXABMMIJVNOIQ-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)C)CC2 ZINC001094429995 1361798800 /nfs/dbraw/zinc/79/88/00/1361798800.db2.gz CTXABMMIJVNOIQ-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)C)CC2 ZINC001094429995 1361798802 /nfs/dbraw/zinc/79/88/02/1361798802.db2.gz CTXABMMIJVNOIQ-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+](CCC3)C4)CCC[C@@H]12 ZINC001094444733 1361803189 /nfs/dbraw/zinc/80/31/89/1361803189.db2.gz GGKDTMAIOPCBCH-UYAOXDASSA-N 2 1 347.547 3.023 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC)CC2 ZINC001094557348 1361858154 /nfs/dbraw/zinc/85/81/54/1361858154.db2.gz TZXUBSMWFOWRLH-SFHLNBCPSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC)CC2 ZINC001094557348 1361858158 /nfs/dbraw/zinc/85/81/58/1361858158.db2.gz TZXUBSMWFOWRLH-SFHLNBCPSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC)CC2 ZINC001094557348 1361858164 /nfs/dbraw/zinc/85/81/64/1361858164.db2.gz TZXUBSMWFOWRLH-SFHLNBCPSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)CCc2cnc[nH]2)CC1 ZINC001324317831 1387590024 /nfs/dbraw/zinc/59/00/24/1387590024.db2.gz BAJQZDQKHVOLQC-INIZCTEOSA-N 2 1 340.471 3.074 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001097062980 1362829300 /nfs/dbraw/zinc/82/93/00/1362829300.db2.gz APKFZAWZOKDPDY-YSTOQKLRSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001097062980 1362829301 /nfs/dbraw/zinc/82/93/01/1362829301.db2.gz APKFZAWZOKDPDY-YSTOQKLRSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001097062980 1362829302 /nfs/dbraw/zinc/82/93/02/1362829302.db2.gz APKFZAWZOKDPDY-YSTOQKLRSA-N 2 1 347.547 3.161 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001097176888 1362874991 /nfs/dbraw/zinc/87/49/91/1362874991.db2.gz BBFSLVHCNFEWDQ-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001097176888 1362874994 /nfs/dbraw/zinc/87/49/94/1362874994.db2.gz BBFSLVHCNFEWDQ-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001097176888 1362874997 /nfs/dbraw/zinc/87/49/97/1362874997.db2.gz BBFSLVHCNFEWDQ-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CCCC1)C2 ZINC001098984294 1363555974 /nfs/dbraw/zinc/55/59/74/1363555974.db2.gz RIOPDQBLDIGLQN-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CCCC1)C2 ZINC001098984294 1363555978 /nfs/dbraw/zinc/55/59/78/1363555978.db2.gz RIOPDQBLDIGLQN-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1CCCC1)C2 ZINC001098984294 1363555980 /nfs/dbraw/zinc/55/59/80/1363555980.db2.gz RIOPDQBLDIGLQN-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1CCCC1)C2 ZINC001098984294 1363555984 /nfs/dbraw/zinc/55/59/84/1363555984.db2.gz RIOPDQBLDIGLQN-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP CCCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185169492 1387631950 /nfs/dbraw/zinc/63/19/50/1387631950.db2.gz MEOVKMDYNAQFDY-ZWKOTPCHSA-N 2 1 339.568 3.229 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCCC1)C1CC1 ZINC001099106367 1363624672 /nfs/dbraw/zinc/62/46/72/1363624672.db2.gz DVJDXNMJPWLVMH-RBUKOAKNSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001099131042 1363643700 /nfs/dbraw/zinc/64/37/00/1363643700.db2.gz VYWJRYIMUDWROH-KRWDZBQOSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001099131042 1363643706 /nfs/dbraw/zinc/64/37/06/1363643706.db2.gz VYWJRYIMUDWROH-KRWDZBQOSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001099131042 1363643710 /nfs/dbraw/zinc/64/37/10/1363643710.db2.gz VYWJRYIMUDWROH-KRWDZBQOSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099194676 1363685238 /nfs/dbraw/zinc/68/52/38/1363685238.db2.gz QTUQMWWJFTVVQW-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC2(CCC2)C1 ZINC001099213324 1363694337 /nfs/dbraw/zinc/69/43/37/1363694337.db2.gz CDDGUEKOSNGSDL-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099235143 1363706507 /nfs/dbraw/zinc/70/65/07/1363706507.db2.gz POZIWVUXWVIYCP-OXUXSNCKSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCCCF ZINC001099276735 1363727840 /nfs/dbraw/zinc/72/78/40/1363727840.db2.gz VYQBAOKBAOVVAX-QGZVFWFLSA-N 2 1 343.531 3.075 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001099298300 1363737007 /nfs/dbraw/zinc/73/70/07/1363737007.db2.gz KMWNKGKOTKQFLO-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001099298300 1363737004 /nfs/dbraw/zinc/73/70/04/1363737004.db2.gz KMWNKGKOTKQFLO-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1=CCCCC1 ZINC001099299430 1363737895 /nfs/dbraw/zinc/73/78/95/1363737895.db2.gz UEXCDHHIXIWAFT-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1=CCCCC1 ZINC001099299430 1363737897 /nfs/dbraw/zinc/73/78/97/1363737897.db2.gz UEXCDHHIXIWAFT-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1=CCCCC1 ZINC001099299430 1363737898 /nfs/dbraw/zinc/73/78/98/1363737898.db2.gz UEXCDHHIXIWAFT-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099340541 1363760324 /nfs/dbraw/zinc/76/03/24/1363760324.db2.gz UVFZHYIPMYZPSN-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CC1(C)CC[C@H](CNC(=O)CC[NH+]2CCCCC2)[N@@H+](CC2CCC2)C1 ZINC001099355110 1363768873 /nfs/dbraw/zinc/76/88/73/1363768873.db2.gz XUQJKDQWRTZVOS-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)[N@@H+](CC2CCC2)C1 ZINC001099354442 1363769279 /nfs/dbraw/zinc/76/92/79/1363769279.db2.gz SMNHLTYNHUEKEG-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185214366 1387652910 /nfs/dbraw/zinc/65/29/10/1387652910.db2.gz GSXWUMGPXCMXPI-QZTJIDSGSA-N 2 1 346.519 3.047 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001100405858 1364104194 /nfs/dbraw/zinc/10/41/94/1364104194.db2.gz PXXSREYEIMLEJV-NKELODKYSA-N 2 1 349.563 3.170 20 0 EGADMP CC(C)CCC[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001100406770 1364104217 /nfs/dbraw/zinc/10/42/17/1364104217.db2.gz LPNUACFAARQXND-ACBHZAAOSA-N 2 1 337.552 3.170 20 0 EGADMP CC(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001100601844 1364184361 /nfs/dbraw/zinc/18/43/61/1364184361.db2.gz GWZMWVHGAMYCCO-QLOJAFMTSA-N 2 1 349.563 3.314 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NCC2CC([NH2+]CCC3CCCCC3)C2)C1 ZINC001100681156 1364215983 /nfs/dbraw/zinc/21/59/83/1364215983.db2.gz YOLFGUIMBGKMAC-UHFFFAOYSA-N 2 1 349.563 3.173 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC([NH2+]C[C@@H](C)CC)C1 ZINC001100765164 1364251535 /nfs/dbraw/zinc/25/15/35/1364251535.db2.gz WPSXEEDTYABUHU-AOCRQIFASA-N 2 1 325.541 3.029 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001324555679 1387671028 /nfs/dbraw/zinc/67/10/28/1387671028.db2.gz BMNFPQJYFPIDAG-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001324555679 1387671032 /nfs/dbraw/zinc/67/10/32/1387671032.db2.gz BMNFPQJYFPIDAG-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001324555679 1387671035 /nfs/dbraw/zinc/67/10/35/1387671035.db2.gz BMNFPQJYFPIDAG-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)c1ccc(C[NH2+]C2CC(CNC(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001101039402 1364385664 /nfs/dbraw/zinc/38/56/64/1364385664.db2.gz JXRAKBGGJAQMRN-UHFFFAOYSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101230710 1364476497 /nfs/dbraw/zinc/47/64/97/1364476497.db2.gz GNBHQKJUGWNPEG-SBHAEUEKSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001101230710 1364476502 /nfs/dbraw/zinc/47/65/02/1364476502.db2.gz GNBHQKJUGWNPEG-SBHAEUEKSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001101230710 1364476505 /nfs/dbraw/zinc/47/65/05/1364476505.db2.gz GNBHQKJUGWNPEG-SBHAEUEKSA-N 2 1 349.563 3.076 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CCCC)C[C@@]2(C)C1 ZINC001101395774 1364544803 /nfs/dbraw/zinc/54/48/03/1364544803.db2.gz OCHRCWFHMTYHLV-QUCCMNQESA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CCCC)C[C@@]2(C)C1 ZINC001101395774 1364544807 /nfs/dbraw/zinc/54/48/07/1364544807.db2.gz OCHRCWFHMTYHLV-QUCCMNQESA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CCCC)C[C@@]2(C)C1 ZINC001101395774 1364544818 /nfs/dbraw/zinc/54/48/18/1364544818.db2.gz OCHRCWFHMTYHLV-QUCCMNQESA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CCCC3CCCC3)C[C@@]2(C)C1 ZINC001101477523 1364576471 /nfs/dbraw/zinc/57/64/71/1364576471.db2.gz YMZYQGHKEBABTM-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CCCC3CCCC3)C[C@@]2(C)C1 ZINC001101477523 1364576476 /nfs/dbraw/zinc/57/64/76/1364576476.db2.gz YMZYQGHKEBABTM-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CCCC3CCCC3)C[C@@]2(C)C1 ZINC001101477523 1364576479 /nfs/dbraw/zinc/57/64/79/1364576479.db2.gz YMZYQGHKEBABTM-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001101541802 1364607585 /nfs/dbraw/zinc/60/75/85/1364607585.db2.gz WBPRYKVWYZWNED-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001101984799 1364800051 /nfs/dbraw/zinc/80/00/51/1364800051.db2.gz MECNKYMOAZUEGZ-FGTMMUONSA-N 2 1 346.519 3.047 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001101984799 1364800055 /nfs/dbraw/zinc/80/00/55/1364800055.db2.gz MECNKYMOAZUEGZ-FGTMMUONSA-N 2 1 346.519 3.047 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102119612 1364870134 /nfs/dbraw/zinc/87/01/34/1364870134.db2.gz WAAFKGHLCODTJJ-ASIGSXEYSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520386 1365096989 /nfs/dbraw/zinc/09/69/89/1365096989.db2.gz IJHFNQHLBSBDDU-WSTZPKSXSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001102987634 1365328360 /nfs/dbraw/zinc/32/83/60/1365328360.db2.gz KTUUPEGDDHHRAB-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[C@@H]1C[NH+](CCC2CC2)C[C@H]1C ZINC001103086601 1365374475 /nfs/dbraw/zinc/37/44/75/1365374475.db2.gz KAICMBREWZCSNQ-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NCC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001103086601 1365374480 /nfs/dbraw/zinc/37/44/80/1365374480.db2.gz KAICMBREWZCSNQ-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NCC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001103086601 1365374485 /nfs/dbraw/zinc/37/44/85/1365374485.db2.gz KAICMBREWZCSNQ-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001103271609 1365465501 /nfs/dbraw/zinc/46/55/01/1365465501.db2.gz WYFYRGSYPWNCIT-RTBURBONSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001103308707 1365486161 /nfs/dbraw/zinc/48/61/61/1365486161.db2.gz DVKZPNLRMKDTPM-LXORQPIJSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103397009 1365534572 /nfs/dbraw/zinc/53/45/72/1365534572.db2.gz UGETTWGTOPEJJR-YKMDAGRBSA-N 2 1 349.563 3.149 20 0 EGADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C ZINC001103550484 1365629427 /nfs/dbraw/zinc/62/94/27/1365629427.db2.gz SGMGLDJRXSPUGC-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(C)cc2)C1 ZINC001324817218 1387782479 /nfs/dbraw/zinc/78/24/79/1387782479.db2.gz DTWIDTSZIHORJJ-NRFANRHFSA-N 2 1 345.531 3.055 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCC2)C1 ZINC001104753953 1366158091 /nfs/dbraw/zinc/15/80/91/1366158091.db2.gz WLOZCRRWXGJGPI-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C(C)C)C1 ZINC001104895937 1366213833 /nfs/dbraw/zinc/21/38/33/1366213833.db2.gz IDHSIYHZTFXQOU-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396775 1366445268 /nfs/dbraw/zinc/44/52/68/1366445268.db2.gz VYAVBECKDVHYAH-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105518021 1366505548 /nfs/dbraw/zinc/50/55/48/1366505548.db2.gz PBBOXRFRNAAFTJ-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CCC[C@H]2C)CCC1 ZINC001105564322 1366533261 /nfs/dbraw/zinc/53/32/61/1366533261.db2.gz ZTNXKORVTJWHGG-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105579604 1366543089 /nfs/dbraw/zinc/54/30/89/1366543089.db2.gz SCJLKGLDNFMMSD-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106271621 1366640164 /nfs/dbraw/zinc/64/01/64/1366640164.db2.gz IYICACSECOOCSE-JCHUFIKGSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@@H](CC)c2ccccc2)[C@H](C)C1 ZINC001106908069 1366830048 /nfs/dbraw/zinc/83/00/48/1366830048.db2.gz OIVFQLFWMNLJJH-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439330 1366963852 /nfs/dbraw/zinc/96/38/52/1366963852.db2.gz WEFLKZQUALOGBS-SFHLNBCPSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107450138 1366968300 /nfs/dbraw/zinc/96/83/00/1366968300.db2.gz FGPXUASCFJNERT-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001107450138 1366968301 /nfs/dbraw/zinc/96/83/01/1366968301.db2.gz FGPXUASCFJNERT-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001107450138 1366968303 /nfs/dbraw/zinc/96/83/03/1366968303.db2.gz FGPXUASCFJNERT-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(CNC(=O)CC3([NH+](C)C)CCCC3)CCC[C@@H]12 ZINC001107488838 1366989623 /nfs/dbraw/zinc/98/96/23/1366989623.db2.gz ZHBLZUMMZQQCND-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530758 1367022794 /nfs/dbraw/zinc/02/27/94/1367022794.db2.gz KDTWDLXIZSDLJZ-YKMDAGRBSA-N 2 1 335.536 3.045 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546405 1367037233 /nfs/dbraw/zinc/03/72/33/1367037233.db2.gz BLQXCXWOSQMJAI-FBBABVLZSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546405 1367037235 /nfs/dbraw/zinc/03/72/35/1367037235.db2.gz BLQXCXWOSQMJAI-FBBABVLZSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546405 1367037238 /nfs/dbraw/zinc/03/72/38/1367037238.db2.gz BLQXCXWOSQMJAI-FBBABVLZSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552827 1367039269 /nfs/dbraw/zinc/03/92/69/1367039269.db2.gz UERFNCVWJJSOMR-YLJYHZDGSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552827 1367039273 /nfs/dbraw/zinc/03/92/73/1367039273.db2.gz UERFNCVWJJSOMR-YLJYHZDGSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552827 1367039278 /nfs/dbraw/zinc/03/92/78/1367039278.db2.gz UERFNCVWJJSOMR-YLJYHZDGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107567101 1367047298 /nfs/dbraw/zinc/04/72/98/1367047298.db2.gz JTISQDSKHCCLEO-QWFCFKBJSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107582092 1367055615 /nfs/dbraw/zinc/05/56/15/1367055615.db2.gz WOUZXVWLCLJLRE-QWFCFKBJSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107582990 1367057581 /nfs/dbraw/zinc/05/75/81/1367057581.db2.gz JOGUVOINRMUXSH-HTJOGQSXSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCCC1CCC1)CC2 ZINC001107617486 1367075653 /nfs/dbraw/zinc/07/56/53/1367075653.db2.gz JUMJAMRUPGSYKJ-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCC1CCC1)CC2 ZINC001107617486 1367075658 /nfs/dbraw/zinc/07/56/58/1367075658.db2.gz JUMJAMRUPGSYKJ-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC1CCC1)CC2 ZINC001107617486 1367075665 /nfs/dbraw/zinc/07/56/65/1367075665.db2.gz JUMJAMRUPGSYKJ-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107644883 1367090702 /nfs/dbraw/zinc/09/07/02/1367090702.db2.gz JNIDTKJKYINGOQ-TZIWHRDSSA-N 2 1 347.547 3.189 20 0 EGADMP CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CCC2CCCC2)C1)[NH+](C)C ZINC001324960907 1387856257 /nfs/dbraw/zinc/85/62/57/1387856257.db2.gz KQHHPKQEQREXBX-AZUAARDMSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCC3CCCCCC3)C[C@H]21 ZINC001190370600 1367243975 /nfs/dbraw/zinc/24/39/75/1367243975.db2.gz HAFLDWNNPJHRPR-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21 ZINC001190370600 1367243981 /nfs/dbraw/zinc/24/39/81/1367243981.db2.gz HAFLDWNNPJHRPR-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]21 ZINC001190370600 1367243987 /nfs/dbraw/zinc/24/39/87/1367243987.db2.gz HAFLDWNNPJHRPR-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001186081832 1387862734 /nfs/dbraw/zinc/86/27/34/1387862734.db2.gz BHDUVIILAAMHTI-KAGICYHLSA-N 2 1 335.536 3.186 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480507 1367273262 /nfs/dbraw/zinc/27/32/62/1367273262.db2.gz ATCONMRYHHSIGR-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1)[NH+](CC)CC ZINC001109714487 1367289836 /nfs/dbraw/zinc/28/98/36/1367289836.db2.gz MHDOGXTZSAYMRD-WCIQWLHISA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C)C(C)C ZINC001109860084 1367364486 /nfs/dbraw/zinc/36/44/86/1367364486.db2.gz KGYIXTQVLMHRQQ-YDZRNGNQSA-N 2 1 337.552 3.120 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ccccc1C ZINC001109865560 1367371151 /nfs/dbraw/zinc/37/11/51/1367371151.db2.gz UVRHCWAGFYJMLZ-JYBIWHBTSA-N 2 1 343.515 3.119 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CC2CCC(C)CC2)C1 ZINC001191029665 1367404880 /nfs/dbraw/zinc/40/48/80/1367404880.db2.gz LEQLKWNSJMMKFL-ABHNRTSZSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191560853 1367528813 /nfs/dbraw/zinc/52/88/13/1367528813.db2.gz IMANFELHKSUKSD-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCS(=O)CC1 ZINC001191600775 1367540870 /nfs/dbraw/zinc/54/08/70/1367540870.db2.gz HVOLCFUBXMJCAE-UHFFFAOYSA-N 2 1 334.529 3.015 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001110188976 1367556330 /nfs/dbraw/zinc/55/63/30/1367556330.db2.gz YLGOUSDGQSKFCE-AABGKKOBSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188910 1367556369 /nfs/dbraw/zinc/55/63/69/1367556369.db2.gz VSIPNFRAXWUMKA-QYZOEREBSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](CC1CCCCC1)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192407086 1367775435 /nfs/dbraw/zinc/77/54/35/1367775435.db2.gz QSRNOPYSVMBEEH-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]([N@H+](C)CC2CCCCC2)C1)CC(C)(C)C ZINC001192407086 1367775438 /nfs/dbraw/zinc/77/54/38/1367775438.db2.gz QSRNOPYSVMBEEH-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]([N@@H+](C)CC2CCCCC2)C1)CC(C)(C)C ZINC001192407086 1367775439 /nfs/dbraw/zinc/77/54/39/1367775439.db2.gz QSRNOPYSVMBEEH-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC1CCCCC1)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192407084 1367775488 /nfs/dbraw/zinc/77/54/88/1367775488.db2.gz QSRNOPYSVMBEEH-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@H]([N@H+](C)CC2CCCCC2)C1)CC(C)(C)C ZINC001192407084 1367775493 /nfs/dbraw/zinc/77/54/93/1367775493.db2.gz QSRNOPYSVMBEEH-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCC2)C1)CC(C)(C)C ZINC001192407084 1367775498 /nfs/dbraw/zinc/77/54/98/1367775498.db2.gz QSRNOPYSVMBEEH-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192598019 1367828651 /nfs/dbraw/zinc/82/86/51/1367828651.db2.gz ZCDKSPJJKAMUNZ-DVBCCOPCSA-N 2 1 346.519 3.286 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192598019 1367828654 /nfs/dbraw/zinc/82/86/54/1367828654.db2.gz ZCDKSPJJKAMUNZ-DVBCCOPCSA-N 2 1 346.519 3.286 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671552 1367845948 /nfs/dbraw/zinc/84/59/48/1367845948.db2.gz MYZMLKGPONDQFU-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192671552 1367845951 /nfs/dbraw/zinc/84/59/51/1367845951.db2.gz MYZMLKGPONDQFU-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192671552 1367845952 /nfs/dbraw/zinc/84/59/52/1367845952.db2.gz MYZMLKGPONDQFU-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671551 1367846327 /nfs/dbraw/zinc/84/63/27/1367846327.db2.gz MYZMLKGPONDQFU-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192671551 1367846334 /nfs/dbraw/zinc/84/63/34/1367846334.db2.gz MYZMLKGPONDQFU-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192671551 1367846338 /nfs/dbraw/zinc/84/63/38/1367846338.db2.gz MYZMLKGPONDQFU-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1 ZINC001192858151 1367890093 /nfs/dbraw/zinc/89/00/93/1367890093.db2.gz NJNGFTUBXXKQPF-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001192858151 1367890098 /nfs/dbraw/zinc/89/00/98/1367890098.db2.gz NJNGFTUBXXKQPF-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110657898 1367901561 /nfs/dbraw/zinc/90/15/61/1367901561.db2.gz DIVXOTLZOHXPRJ-DTGBZTBESA-N 2 1 347.547 3.042 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001110657898 1367901564 /nfs/dbraw/zinc/90/15/64/1367901564.db2.gz DIVXOTLZOHXPRJ-DTGBZTBESA-N 2 1 347.547 3.042 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001110657898 1367901569 /nfs/dbraw/zinc/90/15/69/1367901569.db2.gz DIVXOTLZOHXPRJ-DTGBZTBESA-N 2 1 347.547 3.042 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001110661316 1367904032 /nfs/dbraw/zinc/90/40/32/1367904032.db2.gz QIVAJCVRGLPGGM-YSTOQKLRSA-N 2 1 347.547 3.305 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001110661316 1367904035 /nfs/dbraw/zinc/90/40/35/1367904035.db2.gz QIVAJCVRGLPGGM-YSTOQKLRSA-N 2 1 347.547 3.305 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001110661316 1367904041 /nfs/dbraw/zinc/90/40/41/1367904041.db2.gz QIVAJCVRGLPGGM-YSTOQKLRSA-N 2 1 347.547 3.305 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948643 1367909777 /nfs/dbraw/zinc/90/97/77/1367909777.db2.gz UUWUUVZOQRBUBA-MOPGFXCFSA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](C)CC(C)C ZINC001110738876 1367955424 /nfs/dbraw/zinc/95/54/24/1367955424.db2.gz XWHGTAOSNYKLLI-TVFCKZIOSA-N 2 1 337.552 3.120 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](C)CC(C)C ZINC001110738876 1367955429 /nfs/dbraw/zinc/95/54/29/1367955429.db2.gz XWHGTAOSNYKLLI-TVFCKZIOSA-N 2 1 337.552 3.120 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CC(C)C ZINC001110738876 1367955431 /nfs/dbraw/zinc/95/54/31/1367955431.db2.gz XWHGTAOSNYKLLI-TVFCKZIOSA-N 2 1 337.552 3.120 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001193610453 1368072673 /nfs/dbraw/zinc/07/26/73/1368072673.db2.gz PHYXYTPLDWPAOR-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001193610453 1368072677 /nfs/dbraw/zinc/07/26/77/1368072677.db2.gz PHYXYTPLDWPAOR-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001193610453 1368072683 /nfs/dbraw/zinc/07/26/83/1368072683.db2.gz PHYXYTPLDWPAOR-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948761 1368115248 /nfs/dbraw/zinc/11/52/48/1368115248.db2.gz KWEFMVIENQSBDX-KURKYZTESA-N 2 1 347.503 3.113 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948761 1368115249 /nfs/dbraw/zinc/11/52/49/1368115249.db2.gz KWEFMVIENQSBDX-KURKYZTESA-N 2 1 347.503 3.113 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCCC2)CC1 ZINC001110953732 1368120618 /nfs/dbraw/zinc/12/06/18/1368120618.db2.gz FQAIFDQTPDNYQA-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCCC2)CC1 ZINC001110954518 1368121436 /nfs/dbraw/zinc/12/14/36/1368121436.db2.gz SLSKGBJEHNFOIA-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979968 1368131823 /nfs/dbraw/zinc/13/18/23/1368131823.db2.gz KRRIGVNNPZDBIL-LIRZEXBASA-N 2 1 349.906 3.074 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111180601 1368182443 /nfs/dbraw/zinc/18/24/43/1368182443.db2.gz FGGDKTJZJLGHCC-QFTWQFLFSA-N 2 1 347.547 3.186 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228317 1368212921 /nfs/dbraw/zinc/21/29/21/1368212921.db2.gz RRIGBUFECQUKFN-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274816 1368222513 /nfs/dbraw/zinc/22/25/13/1368222513.db2.gz LXXCSBUKWVIMDT-VQTJNVASSA-N 2 1 345.531 3.258 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274816 1368222515 /nfs/dbraw/zinc/22/25/15/1368222515.db2.gz LXXCSBUKWVIMDT-VQTJNVASSA-N 2 1 345.531 3.258 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194406927 1368254530 /nfs/dbraw/zinc/25/45/30/1368254530.db2.gz DPQSQQLYFQDMKN-QGZVFWFLSA-N 2 1 349.519 3.458 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001186363032 1387929396 /nfs/dbraw/zinc/92/93/96/1387929396.db2.gz QZSIIBVESCRJPH-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449138 1368263755 /nfs/dbraw/zinc/26/37/55/1368263755.db2.gz PVTRUTYCEALTAT-KKHYBRAUSA-N 2 1 343.515 3.007 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449138 1368263758 /nfs/dbraw/zinc/26/37/58/1368263758.db2.gz PVTRUTYCEALTAT-KKHYBRAUSA-N 2 1 343.515 3.007 20 0 EGADMP CC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194449138 1368263762 /nfs/dbraw/zinc/26/37/62/1368263762.db2.gz PVTRUTYCEALTAT-KKHYBRAUSA-N 2 1 343.515 3.007 20 0 EGADMP CC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194449138 1368263770 /nfs/dbraw/zinc/26/37/70/1368263770.db2.gz PVTRUTYCEALTAT-KKHYBRAUSA-N 2 1 343.515 3.007 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494290 1368320682 /nfs/dbraw/zinc/32/06/82/1368320682.db2.gz IQQFECNABYLACO-ILRJUJNRSA-N 2 1 347.547 3.330 20 0 EGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC001325320193 1387933266 /nfs/dbraw/zinc/93/32/66/1387933266.db2.gz OBHKSUGBTUDFDG-ZDUSSCGKSA-N 2 1 334.895 3.289 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001111775990 1368456075 /nfs/dbraw/zinc/45/60/75/1368456075.db2.gz JOHNPNFYRZIRKF-ZVDOUQERSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001111775990 1368456076 /nfs/dbraw/zinc/45/60/76/1368456076.db2.gz JOHNPNFYRZIRKF-ZVDOUQERSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001111775990 1368456078 /nfs/dbraw/zinc/45/60/78/1368456078.db2.gz JOHNPNFYRZIRKF-ZVDOUQERSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001111775989 1368456274 /nfs/dbraw/zinc/45/62/74/1368456274.db2.gz JOHNPNFYRZIRKF-ZJOUEHCJSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001111775989 1368456276 /nfs/dbraw/zinc/45/62/76/1368456276.db2.gz JOHNPNFYRZIRKF-ZJOUEHCJSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001111775989 1368456278 /nfs/dbraw/zinc/45/62/78/1368456278.db2.gz JOHNPNFYRZIRKF-ZJOUEHCJSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782639 1368460141 /nfs/dbraw/zinc/46/01/41/1368460141.db2.gz RNGZKWGRTWIKDL-ZJOUEHCJSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001111782639 1368460142 /nfs/dbraw/zinc/46/01/42/1368460142.db2.gz RNGZKWGRTWIKDL-ZJOUEHCJSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001111782639 1368460143 /nfs/dbraw/zinc/46/01/43/1368460143.db2.gz RNGZKWGRTWIKDL-ZJOUEHCJSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001195785488 1368489304 /nfs/dbraw/zinc/48/93/04/1368489304.db2.gz NEEIVTCNJAOKPI-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001195785488 1368489306 /nfs/dbraw/zinc/48/93/06/1368489306.db2.gz NEEIVTCNJAOKPI-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001195785488 1368489308 /nfs/dbraw/zinc/48/93/08/1368489308.db2.gz NEEIVTCNJAOKPI-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CC1)C2 ZINC001111903852 1368548183 /nfs/dbraw/zinc/54/81/83/1368548183.db2.gz SWZITOSXTIGXDO-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1CC1)C2 ZINC001111903852 1368548188 /nfs/dbraw/zinc/54/81/88/1368548188.db2.gz SWZITOSXTIGXDO-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1CC1)C2 ZINC001111903852 1368548189 /nfs/dbraw/zinc/54/81/89/1368548189.db2.gz SWZITOSXTIGXDO-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1ccccc1)C2 ZINC001111910309 1368551196 /nfs/dbraw/zinc/55/11/96/1368551196.db2.gz SYSYGCTVRGYLLK-CUWPLCDZSA-N 2 1 343.515 3.060 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001111939585 1368568050 /nfs/dbraw/zinc/56/80/50/1368568050.db2.gz IKNHLQYFNIISTB-NGVHCFEESA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001111939585 1368568052 /nfs/dbraw/zinc/56/80/52/1368568052.db2.gz IKNHLQYFNIISTB-NGVHCFEESA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001111939585 1368568056 /nfs/dbraw/zinc/56/80/56/1368568056.db2.gz IKNHLQYFNIISTB-NGVHCFEESA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001111939586 1368568095 /nfs/dbraw/zinc/56/80/95/1368568095.db2.gz IKNHLQYFNIISTB-PTDRADOGSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001111939586 1368568097 /nfs/dbraw/zinc/56/80/97/1368568097.db2.gz IKNHLQYFNIISTB-PTDRADOGSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001111939586 1368568101 /nfs/dbraw/zinc/56/81/01/1368568101.db2.gz IKNHLQYFNIISTB-PTDRADOGSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC1CCC1)C2 ZINC001111951212 1368571122 /nfs/dbraw/zinc/57/11/22/1368571122.db2.gz XYEQSXHHSXSXCP-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC1CCC1)C2 ZINC001111951212 1368571124 /nfs/dbraw/zinc/57/11/24/1368571124.db2.gz XYEQSXHHSXSXCP-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC1CCC1)C2 ZINC001111951212 1368571127 /nfs/dbraw/zinc/57/11/27/1368571127.db2.gz XYEQSXHHSXSXCP-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCC(C)(C)C)C2 ZINC001111950944 1368571742 /nfs/dbraw/zinc/57/17/42/1368571742.db2.gz KVABZARGQMVVTA-PXNSSMCTSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC(C)(C)C)C2 ZINC001111950944 1368571744 /nfs/dbraw/zinc/57/17/44/1368571744.db2.gz KVABZARGQMVVTA-PXNSSMCTSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC(C)(C)C)C2 ZINC001111950944 1368571747 /nfs/dbraw/zinc/57/17/47/1368571747.db2.gz KVABZARGQMVVTA-PXNSSMCTSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004495 1368608544 /nfs/dbraw/zinc/60/85/44/1368608544.db2.gz GFVKKOIWMMKEPF-FPOVZHCZSA-N 2 1 349.563 3.413 20 0 EGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC001196935382 1368716488 /nfs/dbraw/zinc/71/64/88/1368716488.db2.gz HNRCKKNBMQITQO-NHCUHLMSSA-N 2 1 348.506 3.316 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001112285443 1368748491 /nfs/dbraw/zinc/74/84/91/1368748491.db2.gz XODXEQQZQZOMKM-WHGMVNQHSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[NH+](CCCC2CCC2)CC1)CC(C)(C)C ZINC001197187323 1368761370 /nfs/dbraw/zinc/76/13/70/1368761370.db2.gz DTYSEGOPZVTLLS-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP C[NH+](CC(=O)N1CCC[N@H+](CCCC2CCC2)CC1)CC(C)(C)C ZINC001197187323 1368761373 /nfs/dbraw/zinc/76/13/73/1368761373.db2.gz DTYSEGOPZVTLLS-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP C[NH+](CC(=O)N1CCC[N@@H+](CCCC2CCC2)CC1)CC(C)(C)C ZINC001197187323 1368761376 /nfs/dbraw/zinc/76/13/76/1368761376.db2.gz DTYSEGOPZVTLLS-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197477212 1368822475 /nfs/dbraw/zinc/82/24/75/1368822475.db2.gz DGLYWZGGXADSBU-IBGZPJMESA-N 2 1 339.568 3.467 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001197708173 1368877568 /nfs/dbraw/zinc/87/75/68/1368877568.db2.gz ZGIYLDLNCFVOIN-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[N@H+](CC2CCC(C)(C)CC2)CC1 ZINC001197708173 1368877571 /nfs/dbraw/zinc/87/75/71/1368877571.db2.gz ZGIYLDLNCFVOIN-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[N@@H+](CC2CCC(C)(C)CC2)CC1 ZINC001197708173 1368877575 /nfs/dbraw/zinc/87/75/75/1368877575.db2.gz ZGIYLDLNCFVOIN-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC001197899192 1368921736 /nfs/dbraw/zinc/92/17/36/1368921736.db2.gz PTHWPAOEBGXHKZ-QGZVFWFLSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@H](C)c2cccc(F)c2)CC1 ZINC001197899192 1368921738 /nfs/dbraw/zinc/92/17/38/1368921738.db2.gz PTHWPAOEBGXHKZ-QGZVFWFLSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@H+]([C@H](C)c2cccc(F)c2)CC1 ZINC001197899192 1368921741 /nfs/dbraw/zinc/92/17/41/1368921741.db2.gz PTHWPAOEBGXHKZ-QGZVFWFLSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001197898941 1368921779 /nfs/dbraw/zinc/92/17/79/1368921779.db2.gz IUOTVQIZVAFEAD-QGZVFWFLSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001197898941 1368921782 /nfs/dbraw/zinc/92/17/82/1368921782.db2.gz IUOTVQIZVAFEAD-QGZVFWFLSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@H+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001197898941 1368921784 /nfs/dbraw/zinc/92/17/84/1368921784.db2.gz IUOTVQIZVAFEAD-QGZVFWFLSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+](CCC2CCCCC2)CC1 ZINC001197908078 1368922753 /nfs/dbraw/zinc/92/27/53/1368922753.db2.gz SMXLSITUVPJMMW-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@H+](CCC2CCCCC2)CC1 ZINC001197908078 1368922755 /nfs/dbraw/zinc/92/27/55/1368922755.db2.gz SMXLSITUVPJMMW-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001197908078 1368922761 /nfs/dbraw/zinc/92/27/61/1368922761.db2.gz SMXLSITUVPJMMW-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCCCC2)C1 ZINC001112557364 1368926818 /nfs/dbraw/zinc/92/68/18/1368926818.db2.gz BYWKIFZVDPWJGI-FPOVZHCZSA-N 2 1 349.563 3.127 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198259047 1368992212 /nfs/dbraw/zinc/99/22/12/1368992212.db2.gz KEYIXQCRLKMDCZ-IBGZPJMESA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001198259047 1368992213 /nfs/dbraw/zinc/99/22/13/1368992213.db2.gz KEYIXQCRLKMDCZ-IBGZPJMESA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001198259047 1368992217 /nfs/dbraw/zinc/99/22/17/1368992217.db2.gz KEYIXQCRLKMDCZ-IBGZPJMESA-N 2 1 331.504 3.012 20 0 EGADMP CCCCCC[NH+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001112864905 1369056652 /nfs/dbraw/zinc/05/66/52/1369056652.db2.gz IXONNJFTRYLYFL-QGZVFWFLSA-N 2 1 334.508 3.121 20 0 EGADMP CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001112964863 1369112107 /nfs/dbraw/zinc/11/21/07/1369112107.db2.gz AZIQONKJRWCPJR-IBGZPJMESA-N 2 1 335.536 3.118 20 0 EGADMP CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001112964863 1369112110 /nfs/dbraw/zinc/11/21/10/1369112110.db2.gz AZIQONKJRWCPJR-IBGZPJMESA-N 2 1 335.536 3.118 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186596806 1387979217 /nfs/dbraw/zinc/97/92/17/1387979217.db2.gz ALHPVRNEYBLFGN-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC/C=C/CC[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001113050092 1369166135 /nfs/dbraw/zinc/16/61/35/1369166135.db2.gz BOHXPYNUEJAIJT-VOTSOKGWSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C/CC[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001113050092 1369166142 /nfs/dbraw/zinc/16/61/42/1369166142.db2.gz BOHXPYNUEJAIJT-VOTSOKGWSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001200507742 1369382595 /nfs/dbraw/zinc/38/25/95/1369382595.db2.gz QECHICHYMXFBCJ-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001200507895 1369383622 /nfs/dbraw/zinc/38/36/22/1369383622.db2.gz UCYJWQIASWDHOB-GOSISDBHSA-N 2 1 337.552 3.266 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC([NH2+]C[C@@H](C)CC)CC1 ZINC001200643333 1369404914 /nfs/dbraw/zinc/40/49/14/1369404914.db2.gz BRLDFRUEKUAHRQ-HOTGVXAUSA-N 2 1 334.508 3.023 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[NH+](CC2CCCCCC2)CC1 ZINC001113433682 1369424128 /nfs/dbraw/zinc/42/41/28/1369424128.db2.gz YXHRNZCCAMWYGL-UHFFFAOYSA-N 2 1 346.519 3.086 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC001113571373 1369497343 /nfs/dbraw/zinc/49/73/43/1369497343.db2.gz KIPDDYACAHXKFH-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001201229708 1369499909 /nfs/dbraw/zinc/49/99/09/1369499909.db2.gz HFCORDHNRDAAAC-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@H](C)c2ccccc2F)CC1 ZINC001201314573 1369517308 /nfs/dbraw/zinc/51/73/08/1369517308.db2.gz YJFPBFQWFCJTIC-OAHLLOKOSA-N 2 1 349.494 3.198 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001201326886 1369520718 /nfs/dbraw/zinc/52/07/18/1369520718.db2.gz DNWQKIQLGJPFFR-UHFFFAOYSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001325605978 1388010022 /nfs/dbraw/zinc/01/00/22/1388010022.db2.gz ILLRBDGEHIHWED-KCLUMXDGSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001325605978 1388010024 /nfs/dbraw/zinc/01/00/24/1388010024.db2.gz ILLRBDGEHIHWED-KCLUMXDGSA-N 2 1 329.532 3.359 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001201636777 1369594669 /nfs/dbraw/zinc/59/46/69/1369594669.db2.gz IRURPHZSIKPYNZ-FPOVZHCZSA-N 2 1 343.515 3.042 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001201636777 1369594672 /nfs/dbraw/zinc/59/46/72/1369594672.db2.gz IRURPHZSIKPYNZ-FPOVZHCZSA-N 2 1 343.515 3.042 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001201636777 1369594673 /nfs/dbraw/zinc/59/46/73/1369594673.db2.gz IRURPHZSIKPYNZ-FPOVZHCZSA-N 2 1 343.515 3.042 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](CCCc3ccccc3)C2)C1 ZINC001201655426 1369598483 /nfs/dbraw/zinc/59/84/83/1369598483.db2.gz OISXCSPQURRJBR-OAQYLSRUSA-N 2 1 330.516 3.442 20 0 EGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](CCCc3ccccc3)C2)C1 ZINC001201655426 1369598487 /nfs/dbraw/zinc/59/84/87/1369598487.db2.gz OISXCSPQURRJBR-OAQYLSRUSA-N 2 1 330.516 3.442 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](CCCc3ccccc3)C2)C1 ZINC001201655426 1369598489 /nfs/dbraw/zinc/59/84/89/1369598489.db2.gz OISXCSPQURRJBR-OAQYLSRUSA-N 2 1 330.516 3.442 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](CCCc3ccccc3)C2)C1 ZINC001201655426 1369598490 /nfs/dbraw/zinc/59/84/90/1369598490.db2.gz OISXCSPQURRJBR-OAQYLSRUSA-N 2 1 330.516 3.442 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001201754998 1369617192 /nfs/dbraw/zinc/61/71/92/1369617192.db2.gz QWSUHBNFOPBZNV-WOJBJXKFSA-N 2 1 331.504 3.185 20 0 EGADMP CC(C)CC[NH2+]C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001201818103 1369628638 /nfs/dbraw/zinc/62/86/38/1369628638.db2.gz IXOIKIGXBYNFJU-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCCC(F)(F)F)C2 ZINC001202406079 1369763560 /nfs/dbraw/zinc/76/35/60/1369763560.db2.gz YSDSGJFTPORIBC-CVEARBPZSA-N 2 1 334.426 3.009 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCCC(F)(F)F)C2 ZINC001202406079 1369763563 /nfs/dbraw/zinc/76/35/63/1369763563.db2.gz YSDSGJFTPORIBC-CVEARBPZSA-N 2 1 334.426 3.009 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCCC(F)(F)F)C2 ZINC001202406079 1369763566 /nfs/dbraw/zinc/76/35/66/1369763566.db2.gz YSDSGJFTPORIBC-CVEARBPZSA-N 2 1 334.426 3.009 20 0 EGADMP CC(C)(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001114286954 1369852798 /nfs/dbraw/zinc/85/27/98/1369852798.db2.gz BHRKWCITICHPSG-PIIMJCKOSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](CC4CCC4)CC3)C2)cc1 ZINC001202734573 1369872513 /nfs/dbraw/zinc/87/25/13/1369872513.db2.gz YQJRXKBUDCWSDF-UHFFFAOYSA-N 2 1 328.500 3.462 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001202931387 1369929828 /nfs/dbraw/zinc/92/98/28/1369929828.db2.gz AGJLVBVLGZQJNB-UHFFFAOYSA-N 2 1 334.508 3.133 20 0 EGADMP CCC1(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)COC1 ZINC001202965635 1369938633 /nfs/dbraw/zinc/93/86/33/1369938633.db2.gz JFGXFNLTFQAAMK-NRFANRHFSA-N 2 1 328.500 3.401 20 0 EGADMP CCC1(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)COC1 ZINC001202965635 1369938634 /nfs/dbraw/zinc/93/86/34/1369938634.db2.gz JFGXFNLTFQAAMK-NRFANRHFSA-N 2 1 328.500 3.401 20 0 EGADMP CCC1(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)COC1 ZINC001202965635 1369938640 /nfs/dbraw/zinc/93/86/40/1369938640.db2.gz JFGXFNLTFQAAMK-NRFANRHFSA-N 2 1 328.500 3.401 20 0 EGADMP Cc1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001203124879 1369990647 /nfs/dbraw/zinc/99/06/47/1369990647.db2.gz ZEFDIMHHBOEHBP-RTWAWAEBSA-N 2 1 336.483 3.129 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C12CCC2)C1CCCCC1 ZINC001203230325 1370032940 /nfs/dbraw/zinc/03/29/40/1370032940.db2.gz LKCPNNNITIWXIZ-MOPGFXCFSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203231438 1370033462 /nfs/dbraw/zinc/03/34/62/1370033462.db2.gz SKHMJEJGPKCQMX-OALUTQOASA-N 2 1 349.563 3.314 20 0 EGADMP CCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203233065 1370034530 /nfs/dbraw/zinc/03/45/30/1370034530.db2.gz ZRGKUPRWSKOHNT-ROUUACIJSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203425099 1370120207 /nfs/dbraw/zinc/12/02/07/1370120207.db2.gz AFTORDFMHIGOPN-SJORKVTESA-N 2 1 337.552 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC001203431472 1370123378 /nfs/dbraw/zinc/12/33/78/1370123378.db2.gz JCVCXOQURBFPHA-YFHOEESVSA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203577005 1370176638 /nfs/dbraw/zinc/17/66/38/1370176638.db2.gz MNVZKHUNIWCJIH-OALUTQOASA-N 2 1 347.547 3.236 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203640948 1370197413 /nfs/dbraw/zinc/19/74/13/1370197413.db2.gz KYKXDAZZBKPCFQ-DLBZAZTESA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203640883 1370197615 /nfs/dbraw/zinc/19/76/15/1370197615.db2.gz JVBASCUNGBYILF-ZWKOTPCHSA-N 2 1 349.563 3.172 20 0 EGADMP CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203641168 1370198187 /nfs/dbraw/zinc/19/81/87/1370198187.db2.gz ORXBLIXZWVRBHL-MSOLQXFVSA-N 2 1 337.552 3.316 20 0 EGADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)ccc1OC(C)=O ZINC001203831796 1370282356 /nfs/dbraw/zinc/28/23/56/1370282356.db2.gz FNLQWKHPVYXTPI-UHFFFAOYSA-N 2 1 348.487 3.173 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC001203891543 1370301518 /nfs/dbraw/zinc/30/15/18/1370301518.db2.gz UOLKQHSPAMMQHE-LJQANCHMSA-N 2 1 344.499 3.235 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC001203891543 1370301521 /nfs/dbraw/zinc/30/15/21/1370301521.db2.gz UOLKQHSPAMMQHE-LJQANCHMSA-N 2 1 344.499 3.235 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)c1 ZINC001203932325 1370319052 /nfs/dbraw/zinc/31/90/52/1370319052.db2.gz BQCJRCYYVCECFI-SFHVURJKSA-N 2 1 345.531 3.285 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115450919 1370459210 /nfs/dbraw/zinc/45/92/10/1370459210.db2.gz TYZNBOWKYRTDDX-ROUUACIJSA-N 2 1 337.552 3.172 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5c(c4)CCO5)C[C@@H]3C2)cc1 ZINC001204492302 1370491210 /nfs/dbraw/zinc/49/12/10/1370491210.db2.gz KMCCSRBXYJFAEP-SFTDATJTSA-N 2 1 334.463 3.185 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536759 1370533767 /nfs/dbraw/zinc/53/37/67/1370533767.db2.gz GOBZFDKEWJJACE-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001115545058 1370541816 /nfs/dbraw/zinc/54/18/16/1370541816.db2.gz OVCDNZQHGLSGCI-INIZCTEOSA-N 2 1 346.519 3.215 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC=C(C)C)CCCCC1 ZINC001115562755 1370562362 /nfs/dbraw/zinc/56/23/62/1370562362.db2.gz JCMVQDMYCDNWPI-GOSISDBHSA-N 2 1 335.536 3.236 20 0 EGADMP COc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc2c1OCC=C2 ZINC001204748076 1370564421 /nfs/dbraw/zinc/56/44/21/1370564421.db2.gz FOKMMKMRUKSAEX-UHFFFAOYSA-N 2 1 328.456 3.066 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CCCCC1 ZINC001115571676 1370573865 /nfs/dbraw/zinc/57/38/65/1370573865.db2.gz JYMINQUVIBWZKY-GOSISDBHSA-N 2 1 337.552 3.173 20 0 EGADMP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC001115572956 1370574877 /nfs/dbraw/zinc/57/48/77/1370574877.db2.gz BBNQUCMQONMULN-IRXDYDNUSA-N 2 1 346.519 3.215 20 0 EGADMP O=C(NCC1([NH2+]CC2CC2)CCCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001115572999 1370575085 /nfs/dbraw/zinc/57/50/85/1370575085.db2.gz CQBUVVKVYRFURM-LJQANCHMSA-N 2 1 347.547 3.212 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001115596747 1370597576 /nfs/dbraw/zinc/59/75/76/1370597576.db2.gz URECHFIPZRLVRU-SFHVURJKSA-N 2 1 349.563 3.316 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC[C@](C)([NH3+])C3)cc2)cc1 ZINC001204946931 1370613069 /nfs/dbraw/zinc/61/30/69/1370613069.db2.gz UUOCUWSAXYWAOI-NRFANRHFSA-N 2 1 338.451 3.453 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[C@](C)([NH3+])C3)cc2)cc1 ZINC001204946931 1370613073 /nfs/dbraw/zinc/61/30/73/1370613073.db2.gz UUOCUWSAXYWAOI-NRFANRHFSA-N 2 1 338.451 3.453 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001187276513 1388086056 /nfs/dbraw/zinc/08/60/56/1388086056.db2.gz MLGRSURSFDUNPG-LJQANCHMSA-N 2 1 345.531 3.034 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(O)c(OCc3ccccc3)c2)C1 ZINC001205017922 1370630019 /nfs/dbraw/zinc/63/00/19/1370630019.db2.gz PVQDLGZGPSUDGD-LJQANCHMSA-N 2 1 340.467 3.403 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(O)c(OCc3ccccc3)c2)C1 ZINC001205017922 1370630025 /nfs/dbraw/zinc/63/00/25/1370630025.db2.gz PVQDLGZGPSUDGD-LJQANCHMSA-N 2 1 340.467 3.403 20 0 EGADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(OC(F)F)c2)CC1 ZINC001205110133 1370653129 /nfs/dbraw/zinc/65/31/29/1370653129.db2.gz PHXTULXFNSYCTR-LLVKDONJSA-N 2 1 336.329 3.203 20 0 EGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(OC(F)F)c2)CC1 ZINC001205110133 1370653133 /nfs/dbraw/zinc/65/31/33/1370653133.db2.gz PHXTULXFNSYCTR-LLVKDONJSA-N 2 1 336.329 3.203 20 0 EGADMP C[C@H]1C[N@H+](Cc2c[nH]c3cc(F)c(Br)cc23)C[C@H]1C[NH3+] ZINC001205151407 1370664733 /nfs/dbraw/zinc/66/47/33/1370664733.db2.gz UFADUHARBFBCFG-VHSXEESVSA-N 2 1 340.240 3.096 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3cc(F)c(Br)cc23)C[C@H]1C[NH3+] ZINC001205151407 1370664736 /nfs/dbraw/zinc/66/47/36/1370664736.db2.gz UFADUHARBFBCFG-VHSXEESVSA-N 2 1 340.240 3.096 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CC(C)C)CCCCC2)C1 ZINC001115688026 1370670877 /nfs/dbraw/zinc/67/08/77/1370670877.db2.gz HOBAQOAIESYWQS-GOSISDBHSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692515 1370673751 /nfs/dbraw/zinc/67/37/51/1370673751.db2.gz SLGROTVXFVLZBO-ROUUACIJSA-N 2 1 337.552 3.172 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC001205220048 1370685500 /nfs/dbraw/zinc/68/55/00/1370685500.db2.gz JIXJXYZQHHUPGG-SFHVURJKSA-N 2 1 334.847 3.276 20 0 EGADMP Cc1ccc(C)c2nc(Cl)c(C[N@H+]3CCC[C@@](O)(C[NH3+])CC3)cc12 ZINC001205241196 1370692389 /nfs/dbraw/zinc/69/23/89/1370692389.db2.gz ROPOUGYOMZERCZ-IBGZPJMESA-N 2 1 347.890 3.181 20 0 EGADMP c1cc2c(cccc2C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)[nH]1 ZINC001205262984 1370699811 /nfs/dbraw/zinc/69/98/11/1370699811.db2.gz HAYOQXGWOVMMTA-UHFFFAOYSA-N 2 1 349.482 3.019 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205283479 1370705663 /nfs/dbraw/zinc/70/56/63/1370705663.db2.gz CRBLUNKSQHLMIB-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205283741 1370705986 /nfs/dbraw/zinc/70/59/86/1370705986.db2.gz FGSBIHLIRYFKFF-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CCC[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@@H]2C)CCCCC1 ZINC001115729379 1370710840 /nfs/dbraw/zinc/71/08/40/1370710840.db2.gz CTRJDNXHUHGCSG-SFHVURJKSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@@H]1CC[N@@H+](CCCc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC001205296293 1370711012 /nfs/dbraw/zinc/71/10/12/1370711012.db2.gz KVYBVBYFVDFRKG-HIFRSBDPSA-N 2 1 325.294 3.298 20 0 EGADMP C[C@]1([NH3+])CCC[N@H+](Cc2nc3cc(Br)ccc3o2)CC1 ZINC001205296652 1370711540 /nfs/dbraw/zinc/71/15/40/1370711540.db2.gz SBIHGDALOAVLKN-HNNXBMFYSA-N 2 1 338.249 3.294 20 0 EGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2nc3cc(Br)ccc3o2)CC1 ZINC001205296652 1370711542 /nfs/dbraw/zinc/71/15/42/1370711542.db2.gz SBIHGDALOAVLKN-HNNXBMFYSA-N 2 1 338.249 3.294 20 0 EGADMP C[N@@H+](CC(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1)CC(C)(C)C ZINC001115730513 1370712814 /nfs/dbraw/zinc/71/28/14/1370712814.db2.gz LWNSXAXPDKLDRK-FLIBITNWSA-N 2 1 343.943 3.126 20 0 EGADMP C[C@H](F)CC[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCCCC1 ZINC001115730544 1370712825 /nfs/dbraw/zinc/71/28/25/1370712825.db2.gz NGPSHBPMFJXFPM-INIZCTEOSA-N 2 1 343.531 3.121 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115730455 1370712958 /nfs/dbraw/zinc/71/29/58/1370712958.db2.gz JVCAPYDIOXUAPA-MJGOQNOKSA-N 2 1 349.563 3.173 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccnc(OCc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC001205316692 1370718721 /nfs/dbraw/zinc/71/87/21/1370718721.db2.gz KHSCSXHDNWPDOE-LPHOPBHVSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccnc(OCc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC001205316692 1370718728 /nfs/dbraw/zinc/71/87/28/1370718728.db2.gz KHSCSXHDNWPDOE-LPHOPBHVSA-N 2 1 325.456 3.077 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc2c1NC(C)(C)C=C2 ZINC001205317721 1370720249 /nfs/dbraw/zinc/72/02/49/1370720249.db2.gz PPYUFQJOFHTQEP-WMLDXEAASA-N 2 1 329.488 3.329 20 0 EGADMP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2cnc[nH]2)CCCCC1 ZINC001115765899 1370750074 /nfs/dbraw/zinc/75/00/74/1370750074.db2.gz KYCGXIUISVVCFP-CHYADLBTSA-N 2 1 346.519 3.353 20 0 EGADMP CC(C)CCC[NH2+]C1(CNC(=O)[C@H](C)Cc2cnc[nH]2)CCCCC1 ZINC001115765884 1370750530 /nfs/dbraw/zinc/75/05/30/1370750530.db2.gz JZACLFHOEKFEHJ-QGZVFWFLSA-N 2 1 348.535 3.433 20 0 EGADMP CCC/C=C\CC[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001205483796 1370769709 /nfs/dbraw/zinc/76/97/09/1370769709.db2.gz SCFMKQLWLYASDH-PRPIBZDOSA-N 2 1 349.563 3.435 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001205539398 1370785253 /nfs/dbraw/zinc/78/52/53/1370785253.db2.gz YODWHSWZGWKUDM-FQEVSTJZSA-N 3 1 333.495 3.052 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(F)cccc2Br)CC1 ZINC001205559197 1370790807 /nfs/dbraw/zinc/79/08/07/1370790807.db2.gz OTTBVUSCNFHOKQ-AWEZNQCLSA-N 2 1 333.220 3.241 20 0 EGADMP CC(C)Oc1c(F)ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1F ZINC001205592587 1370804013 /nfs/dbraw/zinc/80/40/13/1370804013.db2.gz WRTLQUVJWORYPF-KRWDZBQOSA-N 2 1 330.394 3.405 20 0 EGADMP C[C@H]1CC[N@@H+](CCc2ccccc2Br)CC[C@H]1C[NH3+] ZINC001205600957 1370806267 /nfs/dbraw/zinc/80/62/67/1370806267.db2.gz COCOUMVVXARKFW-ZFWWWQNUSA-N 2 1 325.294 3.298 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cccc(Oc3ncccn3)c2)CC[C@H]1C[NH3+] ZINC001205618217 1370813252 /nfs/dbraw/zinc/81/32/52/1370813252.db2.gz STDUYXHXNXGFJY-WBVHZDCISA-N 2 1 326.444 3.076 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2nc(Cl)ccc2Br)CC[C@H]1C[NH3+] ZINC001205638285 1370823060 /nfs/dbraw/zinc/82/30/60/1370823060.db2.gz LYKAMMPWEDBZLO-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2nc(Cl)ccc2Br)CC[C@H]1C[NH3+] ZINC001205638285 1370823065 /nfs/dbraw/zinc/82/30/65/1370823065.db2.gz LYKAMMPWEDBZLO-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP CCOC(OCC)c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205789331 1370870810 /nfs/dbraw/zinc/87/08/10/1370870810.db2.gz YEEOHNOPQILTOD-INIZCTEOSA-N 2 1 342.430 3.174 20 0 EGADMP CCOC(OCC)c1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205789331 1370870812 /nfs/dbraw/zinc/87/08/12/1370870812.db2.gz YEEOHNOPQILTOD-INIZCTEOSA-N 2 1 342.430 3.174 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CCCc1ccc(Br)cc1 ZINC001205902820 1370905141 /nfs/dbraw/zinc/90/51/41/1370905141.db2.gz LWKKRJGRWMIKOW-HIFRSBDPSA-N 2 1 325.294 3.441 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CCCc1ccccc1Br ZINC001205901204 1370905498 /nfs/dbraw/zinc/90/54/98/1370905498.db2.gz BSSPAQMRRNGXAP-ZFWWWQNUSA-N 2 1 325.294 3.441 20 0 EGADMP COc1ccc2c(OC)ccc(C[N@H+]3CCC[C@H](C[NH3+])[C@@H]3C)c2c1 ZINC001205923215 1370911899 /nfs/dbraw/zinc/91/18/99/1370911899.db2.gz KZIBDZBIELWMCO-LSDHHAIUSA-N 2 1 328.456 3.416 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc(C)c1-c1ccc(F)cc1 ZINC001205973084 1370926112 /nfs/dbraw/zinc/92/61/12/1370926112.db2.gz FWFGNMQVVDNEJR-RTBURBONSA-N 2 1 328.431 3.003 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc(C)c1-c1ccc(F)cc1 ZINC001205973084 1370926118 /nfs/dbraw/zinc/92/61/18/1370926118.db2.gz FWFGNMQVVDNEJR-RTBURBONSA-N 2 1 328.431 3.003 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(Oc3ncccn3)c2)CCC[C@@H]1C[NH3+] ZINC001205995222 1370933505 /nfs/dbraw/zinc/93/35/05/1370933505.db2.gz NIRMDBFHPBATHH-DOTOQJQBSA-N 2 1 326.444 3.076 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)c(Br)n2)CCC[C@H]1C[NH3+] ZINC001206012787 1370937863 /nfs/dbraw/zinc/93/78/63/1370937863.db2.gz NVLZXCDZMILFDE-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccc(Cl)c(Br)n2)CCC[C@H]1C[NH3+] ZINC001206012787 1370937859 /nfs/dbraw/zinc/93/78/59/1370937859.db2.gz NVLZXCDZMILFDE-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP COc1cc(Cl)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(OC)c1 ZINC001206012619 1370938556 /nfs/dbraw/zinc/93/85/56/1370938556.db2.gz MZXHAMZOCOLECG-QWHCGFSZSA-N 2 1 326.868 3.164 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001206031746 1370944253 /nfs/dbraw/zinc/94/42/53/1370944253.db2.gz WDCZWMWGMSNDJM-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CCSc1ncc2cccc(C[N@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)n21 ZINC001206036695 1370944474 /nfs/dbraw/zinc/94/44/74/1370944474.db2.gz OCENMEPKWBGJDB-HUUCEWRRSA-N 2 1 332.517 3.253 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cn2)CCC[C@H]1C[NH3+] ZINC001206036566 1370945017 /nfs/dbraw/zinc/94/50/17/1370945017.db2.gz LLFRWLAQKRQSPB-MJGOQNOKSA-N 2 1 339.483 3.467 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(F)c(F)c1Cl ZINC001206037524 1370946087 /nfs/dbraw/zinc/94/60/87/1370946087.db2.gz WAILOOXFTKLKKH-QWRGUYRKSA-N 2 1 332.822 3.434 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccc(Cl)cn1 ZINC001116648520 1370951136 /nfs/dbraw/zinc/95/11/36/1370951136.db2.gz XHWHMLWUCLAPQO-HNNXBMFYSA-N 2 1 344.890 3.338 20 0 EGADMP COC(=O)c1cccc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC001116881002 1370994544 /nfs/dbraw/zinc/99/45/44/1370994544.db2.gz PPKRYNVQEWLVRQ-QGZVFWFLSA-N 2 1 340.467 3.473 20 0 EGADMP COC(=O)c1cccc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC001116881002 1370994547 /nfs/dbraw/zinc/99/45/47/1370994547.db2.gz PPKRYNVQEWLVRQ-QGZVFWFLSA-N 2 1 340.467 3.473 20 0 EGADMP CC(C)CCC[NH2+]CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001206301816 1371015508 /nfs/dbraw/zinc/01/55/08/1371015508.db2.gz RQFXJBYRBUUZKN-UHFFFAOYSA-N 2 1 339.568 3.229 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CC1 ZINC001206318251 1371020340 /nfs/dbraw/zinc/02/03/40/1371020340.db2.gz OKWFVMXEZNXYAU-GOSISDBHSA-N 2 1 334.414 3.306 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2Sc2ccc(Cl)cc2)C[C@H]1O ZINC001206475462 1371066420 /nfs/dbraw/zinc/06/64/20/1371066420.db2.gz PMXOACNPKHTHNY-WMLDXEAASA-N 2 1 348.899 3.243 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2Sc2ccc(Cl)cc2)C[C@H]1O ZINC001206475462 1371066424 /nfs/dbraw/zinc/06/64/24/1371066424.db2.gz PMXOACNPKHTHNY-WMLDXEAASA-N 2 1 348.899 3.243 20 0 EGADMP Cc1ccc(F)c(C[NH+]2CCC(CC[NH3+])CC2)c1Br ZINC001206506785 1371076878 /nfs/dbraw/zinc/07/68/78/1371076878.db2.gz PSVMVCQQNWHFHP-UHFFFAOYSA-N 2 1 329.257 3.457 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206547542 1371089883 /nfs/dbraw/zinc/08/98/83/1371089883.db2.gz HVTQNJOMSVNVPS-FZZLMOMWSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccccc2Oc2cnccn2)C1 ZINC001206575831 1371098774 /nfs/dbraw/zinc/09/87/74/1371098774.db2.gz ZKSROBRMWDNZFQ-IBGZPJMESA-N 2 1 326.444 3.220 20 0 EGADMP CC(C)[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCC[NH2+]CC1 ZINC001206589940 1371101834 /nfs/dbraw/zinc/10/18/34/1371101834.db2.gz IZUXMCDQVXYPGS-OAHLLOKOSA-N 2 1 345.409 3.375 20 0 EGADMP COC(=O)c1cc(Cl)cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206598716 1371105234 /nfs/dbraw/zinc/10/52/34/1371105234.db2.gz LMDFLLIDXMKTIB-QGZVFWFLSA-N 2 1 338.879 3.479 20 0 EGADMP COc1cccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1Br ZINC001206640434 1371115840 /nfs/dbraw/zinc/11/58/40/1371115840.db2.gz JRYZRRWTDXUJLN-GFCCVEGCSA-N 2 1 327.266 3.019 20 0 EGADMP COc1cccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1Br ZINC001206640434 1371115845 /nfs/dbraw/zinc/11/58/45/1371115845.db2.gz JRYZRRWTDXUJLN-GFCCVEGCSA-N 2 1 327.266 3.019 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COCC[NH+]2CCCCC2)O1 ZINC001206718534 1371144444 /nfs/dbraw/zinc/14/44/44/1371144444.db2.gz RPDLMNXKKSYQEL-HXUWFJFHSA-N 2 1 346.515 3.169 20 0 EGADMP CC[C@]1(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC[NH2+]C1 ZINC001118216337 1371148176 /nfs/dbraw/zinc/14/81/76/1371148176.db2.gz GHYWTOJRKMDTDS-JXFKEZNVSA-N 2 1 329.488 3.247 20 0 EGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CCCc1ccc(Br)cc1 ZINC001206761276 1371155855 /nfs/dbraw/zinc/15/58/55/1371155855.db2.gz VXDLEMBQNOUFGO-DZGCQCFKSA-N 2 1 325.294 3.441 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001206771720 1371160597 /nfs/dbraw/zinc/16/05/97/1371160597.db2.gz XKHOVBZHYOQCEV-AAEUAGOBSA-N 2 1 334.357 3.483 20 0 EGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc2ccc(Br)cc2[nH]1 ZINC001206772207 1371160981 /nfs/dbraw/zinc/16/09/81/1371160981.db2.gz ZFKSJLXBBUWCHK-NWDGAFQWSA-N 2 1 336.277 3.490 20 0 EGADMP COc1ccc2c(OC)ccc(C[N@H+]3C[C@H](C[NH3+])CC[C@@H]3C)c2c1 ZINC001206808838 1371176057 /nfs/dbraw/zinc/17/60/57/1371176057.db2.gz KRGTXLKTQCWIOK-GJZGRUSLSA-N 2 1 328.456 3.416 20 0 EGADMP O=c1[nH]cccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207012853 1371266834 /nfs/dbraw/zinc/26/68/34/1371266834.db2.gz ZEJKIRGEVUFORA-RTBURBONSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1[nH]cccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207012853 1371266842 /nfs/dbraw/zinc/26/68/42/1371266842.db2.gz ZEJKIRGEVUFORA-RTBURBONSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1[nH]cccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207012853 1371266844 /nfs/dbraw/zinc/26/68/44/1371266844.db2.gz ZEJKIRGEVUFORA-RTBURBONSA-N 2 1 337.467 3.131 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001207289132 1371353075 /nfs/dbraw/zinc/35/30/75/1371353075.db2.gz ZRLSYRUTWHLVBN-LJQANCHMSA-N 2 1 341.540 3.296 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001207293788 1371354539 /nfs/dbraw/zinc/35/45/39/1371354539.db2.gz LJMXXKWVLLDJJB-SZPZYZBQSA-N 3 1 341.543 3.172 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001207293788 1371354543 /nfs/dbraw/zinc/35/45/43/1371354543.db2.gz LJMXXKWVLLDJJB-SZPZYZBQSA-N 3 1 341.543 3.172 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001207293788 1371354546 /nfs/dbraw/zinc/35/45/46/1371354546.db2.gz LJMXXKWVLLDJJB-SZPZYZBQSA-N 3 1 341.543 3.172 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2nccc3ccccc32)C1 ZINC001119510660 1371357668 /nfs/dbraw/zinc/35/76/68/1371357668.db2.gz WYJXXJDPLYELCT-HXUWFJFHSA-N 2 1 347.462 3.091 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC001119527546 1371363037 /nfs/dbraw/zinc/36/30/37/1371363037.db2.gz OIFPGBCTBCWIIW-GOSISDBHSA-N 2 1 329.488 3.136 20 0 EGADMP CC1(C)C[C@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC001207357594 1371372723 /nfs/dbraw/zinc/37/27/23/1371372723.db2.gz ASCPKSFSDQCXHE-AQNXPRMDSA-N 2 1 328.500 3.255 20 0 EGADMP CC1(C)C[C@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC001207357594 1371372727 /nfs/dbraw/zinc/37/27/27/1371372727.db2.gz ASCPKSFSDQCXHE-AQNXPRMDSA-N 2 1 328.500 3.255 20 0 EGADMP CC1(C)C[C@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC001207357594 1371372734 /nfs/dbraw/zinc/37/27/34/1371372734.db2.gz ASCPKSFSDQCXHE-AQNXPRMDSA-N 2 1 328.500 3.255 20 0 EGADMP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC001207399159 1371383659 /nfs/dbraw/zinc/38/36/59/1371383659.db2.gz FAGDERRDJRFANN-QGZVFWFLSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+]1CCC(C[NH+]2CC(Oc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001207403417 1371386378 /nfs/dbraw/zinc/38/63/78/1371386378.db2.gz UQLREBFGWRYZCI-UHFFFAOYSA-N 2 1 328.378 3.110 20 0 EGADMP COc1ccc(CC[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001207474619 1371406766 /nfs/dbraw/zinc/40/67/66/1371406766.db2.gz SOZOTDIERUEQHP-QZTJIDSGSA-N 2 1 342.508 3.363 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001207479442 1371408789 /nfs/dbraw/zinc/40/87/89/1371408789.db2.gz IVSXOQFPZPGUIZ-QGZVFWFLSA-N 2 1 339.524 3.098 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207486892 1371410660 /nfs/dbraw/zinc/41/06/60/1371410660.db2.gz OSYMWJUHCYFJHZ-DOTOQJQBSA-N 2 1 339.524 3.096 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540708 1371430488 /nfs/dbraw/zinc/43/04/88/1371430488.db2.gz ARDCXADNWRGTKJ-BHIYHBOVSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001207540708 1371430491 /nfs/dbraw/zinc/43/04/91/1371430491.db2.gz ARDCXADNWRGTKJ-BHIYHBOVSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001207540708 1371430496 /nfs/dbraw/zinc/43/04/96/1371430496.db2.gz ARDCXADNWRGTKJ-BHIYHBOVSA-N 2 1 335.536 3.020 20 0 EGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](CCCc1cccc(Cl)c1)CC2 ZINC001207589655 1371445667 /nfs/dbraw/zinc/44/56/67/1371445667.db2.gz PDMUJWFPXUYUBY-UHFFFAOYSA-N 2 1 335.879 3.403 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207617758 1371453192 /nfs/dbraw/zinc/45/31/92/1371453192.db2.gz YTQFRKDLMOXVLD-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001207617758 1371453193 /nfs/dbraw/zinc/45/31/93/1371453193.db2.gz YTQFRKDLMOXVLD-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001207617758 1371453194 /nfs/dbraw/zinc/45/31/94/1371453194.db2.gz YTQFRKDLMOXVLD-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207616633 1371453301 /nfs/dbraw/zinc/45/33/01/1371453301.db2.gz BZUVBYHFFNSMEI-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001207616633 1371453302 /nfs/dbraw/zinc/45/33/02/1371453302.db2.gz BZUVBYHFFNSMEI-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001207616633 1371453305 /nfs/dbraw/zinc/45/33/05/1371453305.db2.gz BZUVBYHFFNSMEI-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP Cc1cccc(C[NH2+]C2(CNC(=O)C[N@H+](C)C(C)C)CCCCC2)c1 ZINC001120208004 1371505273 /nfs/dbraw/zinc/50/52/73/1371505273.db2.gz QFVYHFUXWOXCHZ-UHFFFAOYSA-N 2 1 345.531 3.244 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208014847 1371568969 /nfs/dbraw/zinc/56/89/69/1371568969.db2.gz UHASKLWJFCJUDC-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120459540 1371582892 /nfs/dbraw/zinc/58/28/92/1371582892.db2.gz NDACKADVZKAQGR-FPMVPNIMSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001120462280 1371584932 /nfs/dbraw/zinc/58/49/32/1371584932.db2.gz WAVCXDNEWRNIMO-WOJBJXKFSA-N 2 1 349.563 3.366 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC001208113186 1371598288 /nfs/dbraw/zinc/59/82/88/1371598288.db2.gz DWVBFKBIXGFHNZ-UHFFFAOYSA-N 2 1 333.495 3.065 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001208114447 1371599671 /nfs/dbraw/zinc/59/96/71/1371599671.db2.gz XJDRAUJRKFIHEJ-INIZCTEOSA-N 2 1 339.524 3.098 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208114186 1371599969 /nfs/dbraw/zinc/59/99/69/1371599969.db2.gz TVAYGWLJYRNDTM-JKSUJKDBSA-N 2 1 339.524 3.096 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163119 1371613486 /nfs/dbraw/zinc/61/34/86/1371613486.db2.gz COMVHRPZMJZVSS-XXCOWLKOSA-N 2 1 335.536 3.044 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001208453716 1371772587 /nfs/dbraw/zinc/77/25/87/1371772587.db2.gz NOGRKDKOETVLBO-SFHVURJKSA-N 2 1 335.536 3.188 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN2CC[NH+]3CCCC[C@H]3C2)cc1 ZINC001208589606 1371829697 /nfs/dbraw/zinc/82/96/97/1371829697.db2.gz WSICFPKZLPFHRQ-SFTDATJTSA-N 2 1 327.516 3.211 20 0 EGADMP c1ccc(C[NH+]2CCCC[C@H]2CN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC001208589606 1371829701 /nfs/dbraw/zinc/82/97/01/1371829701.db2.gz WSICFPKZLPFHRQ-SFTDATJTSA-N 2 1 327.516 3.211 20 0 EGADMP c1ccc(C[NH+]2CCCC[C@H]2CN2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC001208589606 1371829705 /nfs/dbraw/zinc/82/97/05/1371829705.db2.gz WSICFPKZLPFHRQ-SFTDATJTSA-N 2 1 327.516 3.211 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C)N(C(=O)OC(C)(C)C)CC2)CC1 ZINC001208593443 1371832454 /nfs/dbraw/zinc/83/24/54/1371832454.db2.gz SHMOTFGCVDCILE-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001208597997 1371834740 /nfs/dbraw/zinc/83/47/40/1371834740.db2.gz PFDQJRRPRMDYBJ-QGZVFWFLSA-N 2 1 339.524 3.098 20 0 EGADMP C[N@H+]1CCC[C@@H](CN2CCC3(CC[NH+](Cc4cccs4)C3)CC2)C1 ZINC001208606993 1371837749 /nfs/dbraw/zinc/83/77/49/1371837749.db2.gz HTPJVWKDDJDUOM-GOSISDBHSA-N 2 1 347.572 3.378 20 0 EGADMP C[NH+]1CCC[C@@H](CN2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)C1 ZINC001208606993 1371837754 /nfs/dbraw/zinc/83/77/54/1371837754.db2.gz HTPJVWKDDJDUOM-GOSISDBHSA-N 2 1 347.572 3.378 20 0 EGADMP C[NH+]1CCC[C@@H](CN2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)C1 ZINC001208606993 1371837758 /nfs/dbraw/zinc/83/77/58/1371837758.db2.gz HTPJVWKDDJDUOM-GOSISDBHSA-N 2 1 347.572 3.378 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC3(CC[NH+](Cc4cccs4)C3)CC2)C1 ZINC001208606993 1371837763 /nfs/dbraw/zinc/83/77/63/1371837763.db2.gz HTPJVWKDDJDUOM-GOSISDBHSA-N 3 1 347.572 3.378 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(CC[NH+](Cc4cccs4)C3)CC2)C1 ZINC001208606993 1371837770 /nfs/dbraw/zinc/83/77/70/1371837770.db2.gz HTPJVWKDDJDUOM-GOSISDBHSA-N 3 1 347.572 3.378 20 0 EGADMP C[NH+]1CCC[C@@H](C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)C1 ZINC001208606993 1371837772 /nfs/dbraw/zinc/83/77/72/1371837772.db2.gz HTPJVWKDDJDUOM-GOSISDBHSA-N 3 1 347.572 3.378 20 0 EGADMP C[NH+]1CCC[C@@H](C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)C1 ZINC001208606993 1371837777 /nfs/dbraw/zinc/83/77/77/1371837777.db2.gz HTPJVWKDDJDUOM-GOSISDBHSA-N 3 1 347.572 3.378 20 0 EGADMP CN1CCC[C@@H](C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)C1 ZINC001208606993 1371837782 /nfs/dbraw/zinc/83/77/82/1371837782.db2.gz HTPJVWKDDJDUOM-GOSISDBHSA-N 2 1 347.572 3.378 20 0 EGADMP CN1CCC[C@@H](C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)C1 ZINC001208606993 1371837787 /nfs/dbraw/zinc/83/77/87/1371837787.db2.gz HTPJVWKDDJDUOM-GOSISDBHSA-N 2 1 347.572 3.378 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC3(C[C@@H](c4ccccc4)CO3)CC2)C1 ZINC001208611295 1371839891 /nfs/dbraw/zinc/83/98/91/1371839891.db2.gz BNAXKXDIZFSYDF-UYAOXDASSA-N 2 1 328.500 3.367 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(C[C@@H](c4ccccc4)CO3)CC2)C1 ZINC001208611295 1371839896 /nfs/dbraw/zinc/83/98/96/1371839896.db2.gz BNAXKXDIZFSYDF-UYAOXDASSA-N 2 1 328.500 3.367 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001208610011 1371839920 /nfs/dbraw/zinc/83/99/20/1371839920.db2.gz XYYBDTWCEQRMEE-NRFANRHFSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001208610011 1371839924 /nfs/dbraw/zinc/83/99/24/1371839924.db2.gz XYYBDTWCEQRMEE-NRFANRHFSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001208610011 1371839930 /nfs/dbraw/zinc/83/99/30/1371839930.db2.gz XYYBDTWCEQRMEE-NRFANRHFSA-N 3 1 341.543 3.316 20 0 EGADMP CN1CCC[C@H](C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001208610011 1371839932 /nfs/dbraw/zinc/83/99/32/1371839932.db2.gz XYYBDTWCEQRMEE-NRFANRHFSA-N 2 1 341.543 3.316 20 0 EGADMP CN1CCC[C@H](C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001208610011 1371839937 /nfs/dbraw/zinc/83/99/37/1371839937.db2.gz XYYBDTWCEQRMEE-NRFANRHFSA-N 2 1 341.543 3.316 20 0 EGADMP Cn1c2ccccc2nc1C1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208609372 1371840295 /nfs/dbraw/zinc/84/02/95/1371840295.db2.gz JIOIFYLQKRJMAO-INIZCTEOSA-N 2 1 326.488 3.095 20 0 EGADMP COC(=O)[C@H]1CC[C@H](C[N@@H+](C2CCCC2)C2CCN(C)CC2)CC1 ZINC001208634341 1371848482 /nfs/dbraw/zinc/84/84/82/1371848482.db2.gz NZJITXRGFURGQX-QAQDUYKDSA-N 2 1 336.520 3.305 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(CC)CC)C2 ZINC001121194327 1371886055 /nfs/dbraw/zinc/88/60/55/1371886055.db2.gz QGQFPWANMIOSRI-MBEFBZSESA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001121340989 1371942529 /nfs/dbraw/zinc/94/25/29/1371942529.db2.gz RHBYINJCBXEEKW-UHFFFAOYSA-N 2 1 335.536 3.065 20 0 EGADMP OC[C@@]1(F)CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208931525 1371950094 /nfs/dbraw/zinc/95/00/94/1371950094.db2.gz KYYDFEKLRCKZDM-WOJBJXKFSA-N 2 1 334.479 3.085 20 0 EGADMP OC[C@@]1(F)CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208931525 1371950098 /nfs/dbraw/zinc/95/00/98/1371950098.db2.gz KYYDFEKLRCKZDM-WOJBJXKFSA-N 2 1 334.479 3.085 20 0 EGADMP OC[C@@]1(F)CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208931525 1371950101 /nfs/dbraw/zinc/95/01/01/1371950101.db2.gz KYYDFEKLRCKZDM-WOJBJXKFSA-N 2 1 334.479 3.085 20 0 EGADMP O[C@]1(CF)CCCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208931247 1371950872 /nfs/dbraw/zinc/95/08/72/1371950872.db2.gz IPTKQWIKIONRDC-PMACEKPBSA-N 2 1 334.479 3.085 20 0 EGADMP O[C@]1(CF)CCCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208931247 1371950874 /nfs/dbraw/zinc/95/08/74/1371950874.db2.gz IPTKQWIKIONRDC-PMACEKPBSA-N 2 1 334.479 3.085 20 0 EGADMP O[C@]1(CF)CCCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208931247 1371950877 /nfs/dbraw/zinc/95/08/77/1371950877.db2.gz IPTKQWIKIONRDC-PMACEKPBSA-N 2 1 334.479 3.085 20 0 EGADMP OCC[N@@H+](Cc1cccs1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208947373 1371958127 /nfs/dbraw/zinc/95/81/27/1371958127.db2.gz BBPYDZJUXSDRJC-GOSISDBHSA-N 2 1 330.497 3.065 20 0 EGADMP OCC[N@H+](Cc1cccs1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208947373 1371958130 /nfs/dbraw/zinc/95/81/30/1371958130.db2.gz BBPYDZJUXSDRJC-GOSISDBHSA-N 2 1 330.497 3.065 20 0 EGADMP OCC[NH+](Cc1cccs1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208947373 1371958133 /nfs/dbraw/zinc/95/81/33/1371958133.db2.gz BBPYDZJUXSDRJC-GOSISDBHSA-N 2 1 330.497 3.065 20 0 EGADMP OCC[NH+](Cc1cccs1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208947373 1371958137 /nfs/dbraw/zinc/95/81/37/1371958137.db2.gz BBPYDZJUXSDRJC-GOSISDBHSA-N 2 1 330.497 3.065 20 0 EGADMP C[N@H+]1CCN(C[C@H]2CCC[NH+](Cc3ccccc3)C2)C2(CCCC2)C1 ZINC001208946352 1371959452 /nfs/dbraw/zinc/95/94/52/1371959452.db2.gz UXPVCNKPJVOUBA-NRFANRHFSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C2(CCCC2)C1 ZINC001208946352 1371959454 /nfs/dbraw/zinc/95/94/54/1371959454.db2.gz UXPVCNKPJVOUBA-NRFANRHFSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C2(CCCC2)C1 ZINC001208946352 1371959455 /nfs/dbraw/zinc/95/94/55/1371959455.db2.gz UXPVCNKPJVOUBA-NRFANRHFSA-N 2 1 341.543 3.459 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](CN3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC001208949981 1371961204 /nfs/dbraw/zinc/96/12/04/1371961204.db2.gz ZREDQVWLNWBUSH-NRFANRHFSA-N 2 1 341.543 3.459 20 0 EGADMP C[N@H+]1CCN(C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC001208949634 1371961394 /nfs/dbraw/zinc/96/13/94/1371961394.db2.gz MNFCFMYZJAKXSL-FYYLOGMGSA-N 2 1 349.522 3.497 20 0 EGADMP C[NH+]1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC001208949634 1371961396 /nfs/dbraw/zinc/96/13/96/1371961396.db2.gz MNFCFMYZJAKXSL-FYYLOGMGSA-N 2 1 349.522 3.497 20 0 EGADMP C[NH+]1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC001208949634 1371961398 /nfs/dbraw/zinc/96/13/98/1371961398.db2.gz MNFCFMYZJAKXSL-FYYLOGMGSA-N 2 1 349.522 3.497 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142210 1372012146 /nfs/dbraw/zinc/01/21/46/1372012146.db2.gz IXKWNUAFDZBTGB-YSNLUETFSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209142210 1372012149 /nfs/dbraw/zinc/01/21/49/1372012149.db2.gz IXKWNUAFDZBTGB-YSNLUETFSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209142210 1372012152 /nfs/dbraw/zinc/01/21/52/1372012152.db2.gz IXKWNUAFDZBTGB-YSNLUETFSA-N 2 1 335.536 3.042 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001209158446 1372019044 /nfs/dbraw/zinc/01/90/44/1372019044.db2.gz PCRFREMUYGJZTF-IAGOWNOFSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001209158446 1372019046 /nfs/dbraw/zinc/01/90/46/1372019046.db2.gz PCRFREMUYGJZTF-IAGOWNOFSA-N 2 1 348.535 3.269 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[NH+](CCCc4ccncc4)C[C@@H]3C2)c1 ZINC001209184237 1372029346 /nfs/dbraw/zinc/02/93/46/1372029346.db2.gz JKGGEUJSIWQHJN-QZTJIDSGSA-N 2 1 327.497 3.140 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3CC[NH+](CCCc4cccnc4)C[C@H]3C2)cc1 ZINC001209185031 1372029568 /nfs/dbraw/zinc/02/95/68/1372029568.db2.gz MNPNPPJUZNDXRV-YADHBBJMSA-N 2 1 335.495 3.468 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CC[NH+](CCCc4cccnc4)C[C@H]3C2)cc1 ZINC001209185031 1372029574 /nfs/dbraw/zinc/02/95/74/1372029574.db2.gz MNPNPPJUZNDXRV-YADHBBJMSA-N 2 1 335.495 3.468 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001209206087 1372038173 /nfs/dbraw/zinc/03/81/73/1372038173.db2.gz XDYQDSQLWQTBOH-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+](CCCCCNC(=O)OC(C)(C)C)CCC[NH+]1CCCC1 ZINC001209374111 1372081684 /nfs/dbraw/zinc/08/16/84/1372081684.db2.gz XGNGGFVWWFLLPQ-UHFFFAOYSA-N 2 1 327.513 3.099 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](CC3C[C@@H](C)O[C@H](C)C3)C2)C1 ZINC001209381920 1372084970 /nfs/dbraw/zinc/08/49/70/1372084970.db2.gz PZKRDOAXPACZGJ-GGPKGHCWSA-N 2 1 338.536 3.013 20 0 EGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](CC3C[C@@H](C)O[C@H](C)C3)C2)C1 ZINC001209381920 1372084973 /nfs/dbraw/zinc/08/49/73/1372084973.db2.gz PZKRDOAXPACZGJ-GGPKGHCWSA-N 2 1 338.536 3.013 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](CC3C[C@@H](C)O[C@H](C)C3)C2)C1 ZINC001209381920 1372084976 /nfs/dbraw/zinc/08/49/76/1372084976.db2.gz PZKRDOAXPACZGJ-GGPKGHCWSA-N 2 1 338.536 3.013 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](CC3C[C@@H](C)O[C@H](C)C3)C2)C1 ZINC001209381920 1372084979 /nfs/dbraw/zinc/08/49/79/1372084979.db2.gz PZKRDOAXPACZGJ-GGPKGHCWSA-N 2 1 338.536 3.013 20 0 EGADMP CN(C(=O)c1ccccc1)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC001209455054 1372110616 /nfs/dbraw/zinc/11/06/16/1372110616.db2.gz XBDHARWEBWQDOW-UHFFFAOYSA-N 2 1 343.515 3.099 20 0 EGADMP Cc1n[nH]cc1C[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001209554825 1372135909 /nfs/dbraw/zinc/13/59/09/1372135909.db2.gz XVGYOZZKKUCHOK-SFHVURJKSA-N 2 1 328.460 3.188 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001209585167 1372143910 /nfs/dbraw/zinc/14/39/10/1372143910.db2.gz HEYRNNKSZTZOGG-RPSDLQHZSA-N 2 1 337.552 3.146 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1)CC(C)(C)C ZINC001209688542 1372170865 /nfs/dbraw/zinc/17/08/65/1372170865.db2.gz DBLVQJOTIWUQID-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CCN(Cc2c[nH+]ccc2N)CC1 ZINC001209732523 1372179304 /nfs/dbraw/zinc/17/93/04/1372179304.db2.gz IDOPFQWDTGIOOZ-UHFFFAOYSA-N 2 1 344.890 3.244 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209892616 1372224862 /nfs/dbraw/zinc/22/48/62/1372224862.db2.gz WNIZKVYWOGBXSE-QZTJIDSGSA-N 2 1 348.535 3.269 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001210356554 1372330704 /nfs/dbraw/zinc/33/07/04/1372330704.db2.gz NVHLPZZULMCYEQ-NRFANRHFSA-N 2 1 346.478 3.197 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001210433562 1372352877 /nfs/dbraw/zinc/35/28/77/1372352877.db2.gz SEWOMWWFCCUVMF-WSTZPKSXSA-N 2 1 345.531 3.224 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094753 1372484737 /nfs/dbraw/zinc/48/47/37/1372484737.db2.gz OUPZAPAFWJVRQH-XOIGSVRCSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211371167 1372542402 /nfs/dbraw/zinc/54/24/02/1372542402.db2.gz LBSINRORLUJDPY-LZQZEXGQSA-N 2 1 349.494 3.054 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211371167 1372542404 /nfs/dbraw/zinc/54/24/04/1372542404.db2.gz LBSINRORLUJDPY-LZQZEXGQSA-N 2 1 349.494 3.054 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211371167 1372542409 /nfs/dbraw/zinc/54/24/09/1372542409.db2.gz LBSINRORLUJDPY-LZQZEXGQSA-N 2 1 349.494 3.054 20 0 EGADMP COc1cc(F)ccc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212144719 1372663743 /nfs/dbraw/zinc/66/37/43/1372663743.db2.gz BDVPPNVFFAYLHH-AWEZNQCLSA-N 2 1 336.411 3.052 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001214597168 1373086666 /nfs/dbraw/zinc/08/66/66/1373086666.db2.gz FNYIYTKWHIAUHZ-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001214661797 1373098745 /nfs/dbraw/zinc/09/87/45/1373098745.db2.gz DTHVWDCPUIKWJX-RCKLCRPTSA-N 2 1 346.519 3.189 20 0 EGADMP O=C(NCC[NH2+]CCC1=CCCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356459 1373117828 /nfs/dbraw/zinc/11/78/28/1373117828.db2.gz DAMSGMXCQNGGJE-IBGZPJMESA-N 2 1 347.547 3.237 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356464 1373118205 /nfs/dbraw/zinc/11/82/05/1373118205.db2.gz DCYWUAHIPRQFGF-MSOLQXFVSA-N 2 1 337.552 3.029 20 0 EGADMP O=C(NCC[NH2+]CCCC1CCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356870 1373119051 /nfs/dbraw/zinc/11/90/51/1373119051.db2.gz QIYGCUYBXZJHKN-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001215004303 1373154635 /nfs/dbraw/zinc/15/46/35/1373154635.db2.gz ZJOHVVYBJQLCQW-ZIFCJYIRSA-N 2 1 345.531 3.223 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001127680711 1373159201 /nfs/dbraw/zinc/15/92/01/1373159201.db2.gz ZJDMBCDFUZCJRS-GJZGRUSLSA-N 2 1 346.450 3.003 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001127678940 1373159396 /nfs/dbraw/zinc/15/93/96/1373159396.db2.gz GKPKVUHRPYXIKF-IRXDYDNUSA-N 2 1 342.487 3.172 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001215973061 1373252655 /nfs/dbraw/zinc/25/26/55/1373252655.db2.gz OBPZHMTWWNFRPY-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001215972943 1373252721 /nfs/dbraw/zinc/25/27/21/1373252721.db2.gz GIHCDSALHIPWCY-UYAOXDASSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001216490920 1373311691 /nfs/dbraw/zinc/31/16/91/1373311691.db2.gz WCUKXGADPMJYKK-GPMSIDNRSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130189317 1373471839 /nfs/dbraw/zinc/47/18/39/1373471839.db2.gz NVOLXKFEMRXNSZ-QUCCMNQESA-N 2 1 343.515 3.033 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccc(C(C)(C)C)cc1 ZINC001130303574 1373488096 /nfs/dbraw/zinc/48/80/96/1373488096.db2.gz DKKASSUWKTVKHL-LPHOPBHVSA-N 2 1 345.531 3.235 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC001130424824 1373532974 /nfs/dbraw/zinc/53/29/74/1373532974.db2.gz CTMXIYUHDITEGM-MRXNPFEDSA-N 2 1 341.499 3.337 20 0 EGADMP C[NH+](C)Cc1cc(O[C@H]2C[NH2+]CCC23CC3)ccc1Br ZINC001218407287 1373608661 /nfs/dbraw/zinc/60/86/61/1373608661.db2.gz ZUIXFLKMKOKHHW-HNNXBMFYSA-N 2 1 339.277 3.032 20 0 EGADMP C[N@@H+](CCC(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1)Cc1ccccc1 ZINC001218996685 1373676737 /nfs/dbraw/zinc/67/67/37/1373676737.db2.gz MQXJWNVQZNTONI-LJQANCHMSA-N 2 1 337.467 3.224 20 0 EGADMP CC1CCC(C[N@H+]2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)CC1 ZINC001221962812 1373809454 /nfs/dbraw/zinc/80/94/54/1373809454.db2.gz XXGKUQZAJVYBKE-NTFDOXNWSA-N 2 1 349.563 3.077 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222092526 1373816374 /nfs/dbraw/zinc/81/63/74/1373816374.db2.gz RITDQZJZMIOOLU-BBIZLLLXSA-N 2 1 343.515 3.055 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222092526 1373816378 /nfs/dbraw/zinc/81/63/78/1373816378.db2.gz RITDQZJZMIOOLU-BBIZLLLXSA-N 2 1 343.515 3.055 20 0 EGADMP Clc1cccc(Cl)c1CC[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222400833 1373837301 /nfs/dbraw/zinc/83/73/01/1373837301.db2.gz JRDNCJZHQGZZIV-UHFFFAOYSA-N 2 1 343.298 3.238 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1cccc(F)c1 ZINC001326760334 1388301529 /nfs/dbraw/zinc/30/15/29/1388301529.db2.gz PSRGTVZKUVUKQU-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCc2c[nH]cn2)C[N@H+]1CCCC(C)(C)C ZINC001132090335 1375140449 /nfs/dbraw/zinc/14/04/49/1375140449.db2.gz GNCVXDJGRAOBCF-RDJZCZTQSA-N 2 1 334.508 3.138 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCc2cnc[nH]2)C[N@@H+]1CCCC(C)(C)C ZINC001132090335 1375140453 /nfs/dbraw/zinc/14/04/53/1375140453.db2.gz GNCVXDJGRAOBCF-RDJZCZTQSA-N 2 1 334.508 3.138 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCc2cnc[nH]2)C[N@H+]1CCCC(C)(C)C ZINC001132090335 1375140455 /nfs/dbraw/zinc/14/04/55/1375140455.db2.gz GNCVXDJGRAOBCF-RDJZCZTQSA-N 2 1 334.508 3.138 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCC1=CCCCC1 ZINC001132106794 1375151353 /nfs/dbraw/zinc/15/13/53/1375151353.db2.gz VKDWQEXYDWZUSW-MJGOQNOKSA-N 2 1 347.547 3.330 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](CC2=CCCCC2)C1 ZINC001132152512 1375172901 /nfs/dbraw/zinc/17/29/01/1375172901.db2.gz DICBRGQKYLAUBE-AEFFLSMTSA-N 2 1 335.536 3.186 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2=CCCCC2)C1 ZINC001132152512 1375172904 /nfs/dbraw/zinc/17/29/04/1375172904.db2.gz DICBRGQKYLAUBE-AEFFLSMTSA-N 2 1 335.536 3.186 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2=CCCCC2)C1 ZINC001132152512 1375172905 /nfs/dbraw/zinc/17/29/05/1375172905.db2.gz DICBRGQKYLAUBE-AEFFLSMTSA-N 2 1 335.536 3.186 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CC3(CCC3)C2)C1 ZINC001132154381 1375174004 /nfs/dbraw/zinc/17/40/04/1375174004.db2.gz ZWKJMJPNUSJNMG-FUHWJXTLSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CC3(CCC3)C2)C1 ZINC001132154381 1375174006 /nfs/dbraw/zinc/17/40/06/1375174006.db2.gz ZWKJMJPNUSJNMG-FUHWJXTLSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001132154381 1375174008 /nfs/dbraw/zinc/17/40/08/1375174008.db2.gz ZWKJMJPNUSJNMG-FUHWJXTLSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@H+]1CC1CCC1 ZINC001132210320 1375211642 /nfs/dbraw/zinc/21/16/42/1375211642.db2.gz GGOHFNHWYUGFAV-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[N@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132211016 1375211701 /nfs/dbraw/zinc/21/17/01/1375211701.db2.gz KZACZZHGDLFKGI-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1cccc(C)c1C[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132266678 1375255823 /nfs/dbraw/zinc/25/58/23/1375255823.db2.gz YODQZOGITAZYRV-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1cccc(C)c1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132266676 1375256058 /nfs/dbraw/zinc/25/60/58/1375256058.db2.gz YODQZOGITAZYRV-MOPGFXCFSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CC1CCC2(CC2)CC1 ZINC001132270957 1375258897 /nfs/dbraw/zinc/25/88/97/1375258897.db2.gz XXCXCBXKQCTLHZ-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132313642 1375291444 /nfs/dbraw/zinc/29/14/44/1375291444.db2.gz BKAHBEIVLWXCTQ-ZGKJDNBHSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132313642 1375291447 /nfs/dbraw/zinc/29/14/47/1375291447.db2.gz BKAHBEIVLWXCTQ-ZGKJDNBHSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)Cn2ccnc2C(C)C)CC[C@H]1C ZINC001132330209 1375309292 /nfs/dbraw/zinc/30/92/92/1375309292.db2.gz CHGZMWNJDOIMLM-XXCOWLKOSA-N 2 1 346.519 3.332 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132330209 1375309295 /nfs/dbraw/zinc/30/92/95/1375309295.db2.gz CHGZMWNJDOIMLM-XXCOWLKOSA-N 2 1 346.519 3.332 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132330209 1375309298 /nfs/dbraw/zinc/30/92/98/1375309298.db2.gz CHGZMWNJDOIMLM-XXCOWLKOSA-N 2 1 346.519 3.332 20 0 EGADMP CCCC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335276 1375314177 /nfs/dbraw/zinc/31/41/77/1375314177.db2.gz MARMWFCQICPNET-DLBZAZTESA-N 2 1 334.508 3.166 20 0 EGADMP CCCC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335276 1375314186 /nfs/dbraw/zinc/31/41/86/1375314186.db2.gz MARMWFCQICPNET-DLBZAZTESA-N 2 1 334.508 3.166 20 0 EGADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](C/C=C/Cl)C1 ZINC001132364903 1375331205 /nfs/dbraw/zinc/33/12/05/1375331205.db2.gz GOZJUYBYIDDDGN-VESHTZQJSA-N 2 1 343.943 3.220 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](C/C=C/Cl)C1 ZINC001132364903 1375331212 /nfs/dbraw/zinc/33/12/12/1375331212.db2.gz GOZJUYBYIDDDGN-VESHTZQJSA-N 2 1 343.943 3.220 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](C/C=C/Cl)C1 ZINC001132364903 1375331224 /nfs/dbraw/zinc/33/12/24/1375331224.db2.gz GOZJUYBYIDDDGN-VESHTZQJSA-N 2 1 343.943 3.220 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](C/C=C/Cl)C1 ZINC001132364903 1375331232 /nfs/dbraw/zinc/33/12/32/1375331232.db2.gz GOZJUYBYIDDDGN-VESHTZQJSA-N 2 1 343.943 3.220 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001132392697 1375348217 /nfs/dbraw/zinc/34/82/17/1375348217.db2.gz OSFNJNWSUJXSDG-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132409646 1375358427 /nfs/dbraw/zinc/35/84/27/1375358427.db2.gz CIIJJGSHRLWEJL-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCC(C)(C)C)C1 ZINC001132409646 1375358432 /nfs/dbraw/zinc/35/84/32/1375358432.db2.gz CIIJJGSHRLWEJL-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC(C)(C)C)C1 ZINC001132409646 1375358437 /nfs/dbraw/zinc/35/84/37/1375358437.db2.gz CIIJJGSHRLWEJL-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001227224436 1375409040 /nfs/dbraw/zinc/40/90/40/1375409040.db2.gz GMAWNXHUIALIFH-GUDVDZBRSA-N 2 1 335.536 3.090 20 0 EGADMP CCCCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001227389989 1375425026 /nfs/dbraw/zinc/42/50/26/1375425026.db2.gz KRZHWGVECXJMIR-GOSISDBHSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132517773 1375435919 /nfs/dbraw/zinc/43/59/19/1375435919.db2.gz GIVFKOURAQEHMK-PKOBYXMFSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001132517773 1375435922 /nfs/dbraw/zinc/43/59/22/1375435922.db2.gz GIVFKOURAQEHMK-PKOBYXMFSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001132517773 1375435925 /nfs/dbraw/zinc/43/59/25/1375435925.db2.gz GIVFKOURAQEHMK-PKOBYXMFSA-N 2 1 335.536 3.186 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132519475 1375437699 /nfs/dbraw/zinc/43/76/99/1375437699.db2.gz ZJRDHWWFOAVEAD-XOIGSVRCSA-N 2 1 335.536 3.188 20 0 EGADMP CCc1ccccc1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132521236 1375438433 /nfs/dbraw/zinc/43/84/33/1375438433.db2.gz ABRPLADUWGUCGW-XLIONFOSSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1ccccc1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132521236 1375438439 /nfs/dbraw/zinc/43/84/39/1375438439.db2.gz ABRPLADUWGUCGW-XLIONFOSSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1ccccc1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132521236 1375438443 /nfs/dbraw/zinc/43/84/43/1375438443.db2.gz ABRPLADUWGUCGW-XLIONFOSSA-N 2 1 345.531 3.058 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CCC1CCCC1 ZINC001132524350 1375440767 /nfs/dbraw/zinc/44/07/67/1375440767.db2.gz GFFOENONXDZFIU-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132525661 1375441946 /nfs/dbraw/zinc/44/19/46/1375441946.db2.gz TVCGAQMTHVXPDL-RBUKOAKNSA-N 2 1 337.552 3.412 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[N@H+]1CCC1CC1 ZINC001132549553 1375455689 /nfs/dbraw/zinc/45/56/89/1375455689.db2.gz UVBQXOGODWJPOF-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001132738029 1375538508 /nfs/dbraw/zinc/53/85/08/1375538508.db2.gz UFARXHCEDPZLRO-FQEVSTJZSA-N 2 1 345.531 3.138 20 0 EGADMP CC(C)(C)CCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132791262 1375567059 /nfs/dbraw/zinc/56/70/59/1375567059.db2.gz WAPAXWWJGJGZJF-GOSISDBHSA-N 2 1 337.552 3.316 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001132936899 1375657080 /nfs/dbraw/zinc/65/70/80/1375657080.db2.gz FEZCLTHVYWOCFE-IEBWSBKVSA-N 2 1 349.563 3.291 20 0 EGADMP CCC(CC)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132938623 1375659310 /nfs/dbraw/zinc/65/93/10/1375659310.db2.gz WODKGNKVJQGUIB-WMZOPIPTSA-N 2 1 339.568 3.227 20 0 EGADMP CCCCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001228801733 1375682241 /nfs/dbraw/zinc/68/22/41/1375682241.db2.gz WONMDOMLAFLIPX-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133122485 1375787790 /nfs/dbraw/zinc/78/77/90/1375787790.db2.gz RNJJPMGNFYNVJR-QZTJIDSGSA-N 2 1 339.568 3.085 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1F ZINC001229495620 1375846628 /nfs/dbraw/zinc/84/66/28/1375846628.db2.gz HNXMKXKUMDGXDB-ATZDWAIDSA-N 2 1 349.494 3.246 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133274863 1375890370 /nfs/dbraw/zinc/89/03/70/1375890370.db2.gz NJBNIEGKZSOUOC-WARJXXDVSA-N 2 1 337.552 3.149 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1)c1ccccc1 ZINC001230287201 1375986456 /nfs/dbraw/zinc/98/64/56/1375986456.db2.gz ZQJAPRRUJOZMPL-VAMGGRTRSA-N 2 1 343.515 3.106 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](CCC(C)(C)C)CC1)c1ccccc1 ZINC001230373933 1376009697 /nfs/dbraw/zinc/00/96/97/1376009697.db2.gz FPMZIHRSKOSJQM-LJQANCHMSA-N 2 1 345.531 3.306 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC001230591778 1376090683 /nfs/dbraw/zinc/09/06/83/1376090683.db2.gz JERURRHUMAZEPC-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592002 1376090826 /nfs/dbraw/zinc/09/08/26/1376090826.db2.gz OXJIFPBDAXFHSO-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)c1ccc2ccccc2c1 ZINC001133834449 1376223595 /nfs/dbraw/zinc/22/35/95/1376223595.db2.gz YEOYDJKXZGHMAT-IRXDYDNUSA-N 2 1 339.483 3.091 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CCC[C@@]1(O)C(F)(F)F ZINC001232012269 1376382060 /nfs/dbraw/zinc/38/20/60/1376382060.db2.gz XXUCKOKAKDZHQE-ABAIWWIYSA-N 2 1 327.350 3.088 20 0 EGADMP COc1ccc(OC2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)nc1 ZINC001232019123 1376386307 /nfs/dbraw/zinc/38/63/07/1376386307.db2.gz WHXXOOJAUKKLPZ-UHFFFAOYSA-N 2 1 338.411 3.010 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC001232143325 1376407718 /nfs/dbraw/zinc/40/77/18/1376407718.db2.gz BATHVPZEQMEZRC-NRFANRHFSA-N 2 1 341.474 3.376 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)Cc2cnc3ccccn23)c1 ZINC001232143828 1376408278 /nfs/dbraw/zinc/40/82/78/1376408278.db2.gz DAKVWXCFUAWKKU-UHFFFAOYSA-N 2 1 326.419 3.167 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(OCc4ccccc4)no3)C2)CC1 ZINC001232452791 1376462501 /nfs/dbraw/zinc/46/25/01/1376462501.db2.gz NWGAWBWQYMJLAF-UHFFFAOYSA-N 2 1 341.455 3.171 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cnc1C ZINC001233159127 1376576910 /nfs/dbraw/zinc/57/69/10/1376576910.db2.gz FOYLATBKEXULOE-RTWAWAEBSA-N 2 1 336.483 3.047 20 0 EGADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cnc1C ZINC001233159127 1376576913 /nfs/dbraw/zinc/57/69/13/1376576913.db2.gz FOYLATBKEXULOE-RTWAWAEBSA-N 2 1 336.483 3.047 20 0 EGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cnc1C ZINC001233159127 1376576919 /nfs/dbraw/zinc/57/69/19/1376576919.db2.gz FOYLATBKEXULOE-RTWAWAEBSA-N 2 1 336.483 3.047 20 0 EGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cnc1C ZINC001233159127 1376576922 /nfs/dbraw/zinc/57/69/22/1376576922.db2.gz FOYLATBKEXULOE-RTWAWAEBSA-N 2 1 336.483 3.047 20 0 EGADMP Cc1ccc(CN2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)cc1O ZINC001233228632 1376592228 /nfs/dbraw/zinc/59/22/28/1376592228.db2.gz FIGJNBBXCYCSFU-HXUWFJFHSA-N 2 1 332.488 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH2+][C@H](C)c1ccccc1Cl ZINC001134564255 1376597655 /nfs/dbraw/zinc/59/76/55/1376597655.db2.gz XYJUGLYZARSJOX-CQSZACIVSA-N 2 1 348.878 3.127 20 0 EGADMP CCc1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134606758 1376621034 /nfs/dbraw/zinc/62/10/34/1376621034.db2.gz ALYFJFODUXXOQQ-IAGOWNOFSA-N 2 1 345.531 3.106 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH2+]CCCC1CCCC1 ZINC001134612369 1376624369 /nfs/dbraw/zinc/62/43/69/1376624369.db2.gz LREWMWBJVQSKIR-SJORKVTESA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001134726392 1376680314 /nfs/dbraw/zinc/68/03/14/1376680314.db2.gz VGAWAPXVSVIQNC-OAHLLOKOSA-N 2 1 346.450 3.003 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC001134773152 1376713344 /nfs/dbraw/zinc/71/33/44/1376713344.db2.gz MFGWNEXADFEUOV-ZIAGYGMSSA-N 2 1 339.549 3.160 20 0 EGADMP COc1cc(F)ccc1-c1cccc(C[N@@H+]2CCC3(C[NH2+]C3)C2)c1 ZINC001235026371 1376830418 /nfs/dbraw/zinc/83/04/18/1376830418.db2.gz OWKTYLRLCPVGFR-UHFFFAOYSA-N 2 1 326.415 3.297 20 0 EGADMP COc1cc(F)ccc1-c1cccc(C[N@H+]2CCC3(C[NH2+]C3)C2)c1 ZINC001235026371 1376830423 /nfs/dbraw/zinc/83/04/23/1376830423.db2.gz OWKTYLRLCPVGFR-UHFFFAOYSA-N 2 1 326.415 3.297 20 0 EGADMP c1ccc(C(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c2ccccc2)cc1 ZINC001235035170 1376832407 /nfs/dbraw/zinc/83/24/07/1376832407.db2.gz CGNQYUDZLAHTQC-IFMALSPDSA-N 2 1 336.479 3.129 20 0 EGADMP c1ccc2c(c1)oc1ccc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cc12 ZINC001235035237 1376832663 /nfs/dbraw/zinc/83/26/63/1376832663.db2.gz DTBTVQBDCWNOSB-IIBYNOLFSA-N 2 1 336.435 3.396 20 0 EGADMP Nc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235043855 1376840603 /nfs/dbraw/zinc/84/06/03/1376840603.db2.gz IBQONDGPSRUGNF-INIZCTEOSA-N 2 1 343.393 3.276 20 0 EGADMP Nc1ccc(OC(F)(F)F)cc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235043855 1376840606 /nfs/dbraw/zinc/84/06/06/1376840606.db2.gz IBQONDGPSRUGNF-INIZCTEOSA-N 2 1 343.393 3.276 20 0 EGADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235043781 1376840938 /nfs/dbraw/zinc/84/09/38/1376840938.db2.gz HEFSDKVTOYFGEM-LJQANCHMSA-N 3 1 348.560 3.027 20 0 EGADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235043781 1376840942 /nfs/dbraw/zinc/84/09/42/1376840942.db2.gz HEFSDKVTOYFGEM-LJQANCHMSA-N 3 1 348.560 3.027 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC001135029680 1376857013 /nfs/dbraw/zinc/85/70/13/1376857013.db2.gz QNOBVBQJBONWLN-IAGOWNOFSA-N 2 1 348.535 3.425 20 0 EGADMP COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])c(OCc2ccccc2)c1 ZINC001235253742 1376864333 /nfs/dbraw/zinc/86/43/33/1376864333.db2.gz DOHBTKHXTJECGC-BJLQDIEVSA-N 2 1 338.451 3.196 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])c(OCc2ccccc2)c1 ZINC001235253742 1376864339 /nfs/dbraw/zinc/86/43/39/1376864339.db2.gz DOHBTKHXTJECGC-BJLQDIEVSA-N 2 1 338.451 3.196 20 0 EGADMP Clc1cc2[nH]cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2cn1 ZINC001235430366 1376872671 /nfs/dbraw/zinc/87/26/71/1376872671.db2.gz WVZRHCZMVOIULU-KGLIPLIRSA-N 2 1 332.879 3.428 20 0 EGADMP CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135076936 1376881606 /nfs/dbraw/zinc/88/16/06/1376881606.db2.gz JGCRCPJMLXDDNS-SJORKVTESA-N 2 1 325.541 3.314 20 0 EGADMP Clc1sc(C[NH+]2CCN(C3CC[NH2+]CC3)CC2)c2ccccc12 ZINC001235702121 1376884263 /nfs/dbraw/zinc/88/42/63/1376884263.db2.gz KBJJVMNYBVDUAY-UHFFFAOYSA-N 2 1 349.931 3.424 20 0 EGADMP CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235768012 1376892281 /nfs/dbraw/zinc/89/22/81/1376892281.db2.gz CCKQYXVOOXSUAL-GOSISDBHSA-N 2 1 330.472 3.029 20 0 EGADMP CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235768012 1376892290 /nfs/dbraw/zinc/89/22/90/1376892290.db2.gz CCKQYXVOOXSUAL-GOSISDBHSA-N 2 1 330.472 3.029 20 0 EGADMP CC(C)C[C@H]1CN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC001235878769 1376908794 /nfs/dbraw/zinc/90/87/94/1376908794.db2.gz OXMYLWVNYNRYKA-RTWAWAEBSA-N 2 1 329.532 3.219 20 0 EGADMP COCC[N@@H+](Cc1c(C)cc(OC(C)C)cc1C)C1CC[NH2+]CC1 ZINC001235942197 1376920017 /nfs/dbraw/zinc/92/00/17/1376920017.db2.gz BXRPRHRPYHRRTR-UHFFFAOYSA-N 2 1 334.504 3.291 20 0 EGADMP COCC[N@H+](Cc1cccc(SC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235946047 1376921470 /nfs/dbraw/zinc/92/14/70/1376921470.db2.gz ZUAHLWXGIVKQKH-UHFFFAOYSA-N 2 1 348.434 3.499 20 0 EGADMP COCC[N@@H+](Cc1cccc(SC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235946047 1376921473 /nfs/dbraw/zinc/92/14/73/1376921473.db2.gz ZUAHLWXGIVKQKH-UHFFFAOYSA-N 2 1 348.434 3.499 20 0 EGADMP c1ccc(CN(C[C@H]2CC[NH2+]2)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001235947340 1376921968 /nfs/dbraw/zinc/92/19/68/1376921968.db2.gz AGTDUCWCLFAOFL-FGZHOGPDSA-N 2 1 335.495 3.125 20 0 EGADMP [NH3+]C1CN([C@H]2CCC[N@@H+](Cc3ccccc3CCc3ccccc3)C2)C1 ZINC001236077719 1376932590 /nfs/dbraw/zinc/93/25/90/1376932590.db2.gz LHTYFJGCVSDOPG-QHCPKHFHSA-N 2 1 349.522 3.079 20 0 EGADMP CCc1[nH]c(CN(Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)c(C)[nH+]1 ZINC001236388853 1376951971 /nfs/dbraw/zinc/95/19/71/1376951971.db2.gz PPHDPKIBCLACJW-KRWDZBQOSA-N 2 1 330.451 3.174 20 0 EGADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+]([C@H]2CC[C@H](C)[NH2+]C2)C3)c1 ZINC001246727876 1377053386 /nfs/dbraw/zinc/05/33/86/1377053386.db2.gz WYUSVMRGPHSATO-NRDMVMEKSA-N 2 1 343.515 3.149 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1c(C)cccc1C ZINC001135437217 1377097180 /nfs/dbraw/zinc/09/71/80/1377097180.db2.gz QMSSYXLBYQIPCO-UHFFFAOYSA-N 2 1 333.520 3.021 20 0 EGADMP CC[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001253409416 1377097483 /nfs/dbraw/zinc/09/74/83/1377097483.db2.gz RYXISYDRKBWFJW-GJZGRUSLSA-N 2 1 332.410 3.495 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cc(C)sc1C ZINC001135440605 1377098689 /nfs/dbraw/zinc/09/86/89/1377098689.db2.gz PNBRMPPDTXDNCJ-UHFFFAOYSA-N 2 1 339.549 3.083 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC1 ZINC001254511337 1377105240 /nfs/dbraw/zinc/10/52/40/1377105240.db2.gz YZCJICQMUVJPBQ-MRXNPFEDSA-N 2 1 336.907 3.462 20 0 EGADMP C[N@H+]1CCC[C@H](N2CC[NH+]([C@H]3CCCc4ccccc43)CC2)CC1 ZINC001254530208 1377107126 /nfs/dbraw/zinc/10/71/26/1377107126.db2.gz VBROFOVGCVPRLJ-FPOVZHCZSA-N 2 1 327.516 3.166 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254530036 1377107190 /nfs/dbraw/zinc/10/71/90/1377107190.db2.gz TYHXGHXIWXGRSI-VAMGGRTRSA-N 2 1 344.499 3.282 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254530036 1377107192 /nfs/dbraw/zinc/10/71/92/1377107192.db2.gz TYHXGHXIWXGRSI-VAMGGRTRSA-N 2 1 344.499 3.282 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254530036 1377107194 /nfs/dbraw/zinc/10/71/94/1377107194.db2.gz TYHXGHXIWXGRSI-VAMGGRTRSA-N 2 1 344.499 3.282 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135481103 1377113025 /nfs/dbraw/zinc/11/30/25/1377113025.db2.gz QDAKCNUOXNIYDV-HOTGVXAUSA-N 2 1 327.557 3.273 20 0 EGADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258569279 1377117953 /nfs/dbraw/zinc/11/79/53/1377117953.db2.gz SOGMEXKKXWLLFO-FQEVSTJZSA-N 2 1 345.531 3.279 20 0 EGADMP CC(C)CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135584158 1377155169 /nfs/dbraw/zinc/15/51/69/1377155169.db2.gz LBBICZLUTLXOKW-IRXDYDNUSA-N 2 1 336.524 3.316 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135679293 1377181239 /nfs/dbraw/zinc/18/12/39/1377181239.db2.gz LYHKRIMZYLSTPH-HOTGVXAUSA-N 2 1 336.524 3.281 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001135680341 1377181689 /nfs/dbraw/zinc/18/16/89/1377181689.db2.gz UVLUTLQTCHOPPY-SJORKVTESA-N 2 1 346.519 3.345 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1ccccc1C ZINC001135861052 1377238218 /nfs/dbraw/zinc/23/82/18/1377238218.db2.gz LTEGFGJGSXAVQS-RBUKOAKNSA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001135861916 1377238640 /nfs/dbraw/zinc/23/86/40/1377238640.db2.gz YUHVSNFVEPHWHK-IRXDYDNUSA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001266245788 1377243772 /nfs/dbraw/zinc/24/37/72/1377243772.db2.gz GRKWGFJUPHSCFS-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)Cc1c(C)ccc2ccccc21 ZINC001266344111 1377283247 /nfs/dbraw/zinc/28/32/47/1377283247.db2.gz DZSQXYNCLHDREH-UHFFFAOYSA-N 2 1 341.499 3.038 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)Cc1c(C)ccc2ccccc21 ZINC001266344111 1377283252 /nfs/dbraw/zinc/28/32/52/1377283252.db2.gz DZSQXYNCLHDREH-UHFFFAOYSA-N 2 1 341.499 3.038 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1c(C)ccc2ccccc21 ZINC001266344111 1377283255 /nfs/dbraw/zinc/28/32/55/1377283255.db2.gz DZSQXYNCLHDREH-UHFFFAOYSA-N 2 1 341.499 3.038 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001327309385 1388493988 /nfs/dbraw/zinc/49/39/88/1388493988.db2.gz VBHGRCDNTQQDIS-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001267129116 1377416150 /nfs/dbraw/zinc/41/61/50/1377416150.db2.gz IZSXWGKMCBJRQJ-SQGPQFPESA-N 2 1 345.531 3.135 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001267393366 1377444240 /nfs/dbraw/zinc/44/42/40/1377444240.db2.gz DHOXNUHZBYSYKS-UYAOXDASSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1c(C(=O)N[C@H](C)C[N@H+](C)C[C@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001268736060 1377520318 /nfs/dbraw/zinc/52/03/18/1377520318.db2.gz QBIOXWUUAXDZQL-HZPDHXFCSA-N 2 1 344.503 3.375 20 0 EGADMP Fc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001137739690 1377608075 /nfs/dbraw/zinc/60/80/75/1377608075.db2.gz BEKIIHQWOBBBGS-UHFFFAOYSA-N 2 1 329.419 3.302 20 0 EGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(O)c3ccccc13)CC2 ZINC001138057324 1377671864 /nfs/dbraw/zinc/67/18/64/1377671864.db2.gz AWDUPBFBMFCLLE-UHFFFAOYSA-N 2 1 339.439 3.175 20 0 EGADMP Fc1ncccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001138789350 1377785588 /nfs/dbraw/zinc/78/55/88/1377785588.db2.gz XHOIWONRHOWOSN-UHFFFAOYSA-N 2 1 340.446 3.104 20 0 EGADMP CCn1ccc2c1cccc2C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001139153636 1377840256 /nfs/dbraw/zinc/84/02/56/1377840256.db2.gz FLONDAWEVDWQDN-UHFFFAOYSA-N 2 1 340.471 3.291 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cnc(N)s1)CC2 ZINC001139226428 1377856663 /nfs/dbraw/zinc/85/66/63/1377856663.db2.gz UZSYOYBYZKWINI-MRXNPFEDSA-N 2 1 346.500 3.195 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](Cc3sccc3Br)C2)CC1 ZINC001139313657 1377866089 /nfs/dbraw/zinc/86/60/89/1377866089.db2.gz KZIOLSZOXYJUTA-UHFFFAOYSA-N 2 1 329.307 3.428 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(C)cnc2Cl)CC1 ZINC001139591270 1377912332 /nfs/dbraw/zinc/91/23/32/1377912332.db2.gz FHNAPLPEAPRULC-UHFFFAOYSA-N 2 1 330.863 3.486 20 0 EGADMP COc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1C(C)C ZINC001139621126 1377920486 /nfs/dbraw/zinc/92/04/86/1377920486.db2.gz HKTZZLQCSGKZRG-UHFFFAOYSA-N 2 1 345.531 3.032 20 0 EGADMP C[NH+]1CCC(CN2CC[NH+](Cc3ccccc3C3CC3)CC2)CC1 ZINC001139883559 1377971335 /nfs/dbraw/zinc/97/13/35/1377971335.db2.gz XADQYSJQZHBGOS-UHFFFAOYSA-N 2 1 327.516 3.023 20 0 EGADMP c1ccc(C[NH+]2CCC3(CCC[N@@H+](Cc4cccnn4)C3)CC2)cc1 ZINC001139973647 1377985553 /nfs/dbraw/zinc/98/55/53/1377985553.db2.gz CCJSTOOECVRQLZ-UHFFFAOYSA-N 2 1 336.483 3.355 20 0 EGADMP Fc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)n1 ZINC001140132439 1378015964 /nfs/dbraw/zinc/01/59/64/1378015964.db2.gz NGQJEDOIMSXNHS-UHFFFAOYSA-N 2 1 329.419 3.302 20 0 EGADMP Oc1cccc2[nH]cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)c21 ZINC001140235750 1378035120 /nfs/dbraw/zinc/03/51/20/1378035120.db2.gz OOGONLOIJPPAGP-RTBURBONSA-N 2 1 347.462 3.437 20 0 EGADMP CC[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC[NH+]1CCCCC1 ZINC001272715983 1378079779 /nfs/dbraw/zinc/07/97/79/1378079779.db2.gz BPNYKLRQEQBKCZ-ICSRJNTNSA-N 2 1 335.536 3.118 20 0 EGADMP CC[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2CCC[NH+]1CCCCC1 ZINC001272715983 1378079781 /nfs/dbraw/zinc/07/97/81/1378079781.db2.gz BPNYKLRQEQBKCZ-ICSRJNTNSA-N 2 1 335.536 3.118 20 0 EGADMP CCCCN1CC[C@]2(CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272716907 1378079977 /nfs/dbraw/zinc/07/99/77/1378079977.db2.gz MFKIUSPYSAIOJB-OAQYLSRUSA-N 2 1 349.563 3.367 20 0 EGADMP CCCC[C@@H](CC)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC1)C2 ZINC001273363852 1378100019 /nfs/dbraw/zinc/10/00/19/1378100019.db2.gz QLVKDIZQNLOAPG-TZIWHRDSSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[C@@H](CC)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC1)C2 ZINC001273363852 1378100022 /nfs/dbraw/zinc/10/00/22/1378100022.db2.gz QLVKDIZQNLOAPG-TZIWHRDSSA-N 2 1 349.563 3.223 20 0 EGADMP Cn1cnc2ccc(CN3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)cc21 ZINC001140742122 1378128391 /nfs/dbraw/zinc/12/83/91/1378128391.db2.gz HUSLUFZDEREUKE-BGYRXZFFSA-N 2 1 346.478 3.137 20 0 EGADMP Cn1cnc2ccc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc21 ZINC001140742122 1378128393 /nfs/dbraw/zinc/12/83/93/1378128393.db2.gz HUSLUFZDEREUKE-BGYRXZFFSA-N 2 1 346.478 3.137 20 0 EGADMP Cn1cnc2ccc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc21 ZINC001140742122 1378128394 /nfs/dbraw/zinc/12/83/94/1378128394.db2.gz HUSLUFZDEREUKE-BGYRXZFFSA-N 2 1 346.478 3.137 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(F)cc1C)C2 ZINC001140778153 1378134225 /nfs/dbraw/zinc/13/42/25/1378134225.db2.gz KMPGCBZIOBSQOY-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)cc1C)C2 ZINC001140778153 1378134226 /nfs/dbraw/zinc/13/42/26/1378134226.db2.gz KMPGCBZIOBSQOY-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)cc1C)C2 ZINC001140778153 1378134227 /nfs/dbraw/zinc/13/42/27/1378134227.db2.gz KMPGCBZIOBSQOY-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(F)cc1C)C2 ZINC001140778153 1378134228 /nfs/dbraw/zinc/13/42/28/1378134228.db2.gz KMPGCBZIOBSQOY-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(F)cc1C)C2 ZINC001140778153 1378134229 /nfs/dbraw/zinc/13/42/29/1378134229.db2.gz KMPGCBZIOBSQOY-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001275165515 1378137288 /nfs/dbraw/zinc/13/72/88/1378137288.db2.gz GJIZKCORLGIDJF-MRXNPFEDSA-N 2 1 335.458 3.069 20 0 EGADMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc2ccsc2c1 ZINC001275532437 1378141639 /nfs/dbraw/zinc/14/16/39/1378141639.db2.gz OBVZHCPHYAMCGP-ROUUACIJSA-N 2 1 329.513 3.112 20 0 EGADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001140806257 1378146529 /nfs/dbraw/zinc/14/65/29/1378146529.db2.gz ZKZGKWSOGLZLGV-HNNXBMFYSA-N 2 1 344.459 3.394 20 0 EGADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001140806257 1378146530 /nfs/dbraw/zinc/14/65/30/1378146530.db2.gz ZKZGKWSOGLZLGV-HNNXBMFYSA-N 2 1 344.459 3.394 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CN1CC2(CC[N@@H+]2C2CCCC2)C1 ZINC001275895594 1378161473 /nfs/dbraw/zinc/16/14/73/1378161473.db2.gz TZYBPMGQOJOXCM-UHFFFAOYSA-N 2 1 336.483 3.383 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CN1CC2(CC[N@H+]2C2CCCC2)C1 ZINC001275895594 1378161477 /nfs/dbraw/zinc/16/14/77/1378161477.db2.gz TZYBPMGQOJOXCM-UHFFFAOYSA-N 2 1 336.483 3.383 20 0 EGADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccccc3-c3cncnc3)C2)C1 ZINC001275894425 1378161673 /nfs/dbraw/zinc/16/16/73/1378161673.db2.gz JZDGSPRPXFHYQB-NRFANRHFSA-N 2 1 336.483 3.451 20 0 EGADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccccc3-c3cncnc3)C2)C1 ZINC001275894425 1378161676 /nfs/dbraw/zinc/16/16/76/1378161676.db2.gz JZDGSPRPXFHYQB-NRFANRHFSA-N 2 1 336.483 3.451 20 0 EGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccccc3-c3cncnc3)C2)C1 ZINC001275894425 1378161682 /nfs/dbraw/zinc/16/16/82/1378161682.db2.gz JZDGSPRPXFHYQB-NRFANRHFSA-N 2 1 336.483 3.451 20 0 EGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc(-c4cnccn4)cc3)CC2)C1 ZINC001276872190 1378190937 /nfs/dbraw/zinc/19/09/37/1378190937.db2.gz NDKWXQHFYRPCQW-UHFFFAOYSA-N 2 1 336.483 3.451 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CCC[NH+](CCCC1CCCC1)C2 ZINC001276885751 1378192224 /nfs/dbraw/zinc/19/22/24/1378192224.db2.gz BUHCRSBNAXPDJO-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CCC[N@H+](CCCC1CCCC1)C2 ZINC001276885751 1378192228 /nfs/dbraw/zinc/19/22/28/1378192228.db2.gz BUHCRSBNAXPDJO-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CCC[N@@H+](CCCC1CCCC1)C2 ZINC001276885751 1378192232 /nfs/dbraw/zinc/19/22/32/1378192232.db2.gz BUHCRSBNAXPDJO-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccnc(-c4ccc(F)cc4)c3)C2)C1 ZINC001141120268 1378244144 /nfs/dbraw/zinc/24/41/44/1378244144.db2.gz NJSLEICKKCAYQO-HXUWFJFHSA-N 2 1 325.431 3.415 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccnc(-c4ccc(F)cc4)c3)C2)C1 ZINC001141120268 1378244159 /nfs/dbraw/zinc/24/41/59/1378244159.db2.gz NJSLEICKKCAYQO-HXUWFJFHSA-N 2 1 325.431 3.415 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccnc(-c4ccc(F)cc4)c3)C2)C1 ZINC001141120268 1378244164 /nfs/dbraw/zinc/24/41/64/1378244164.db2.gz NJSLEICKKCAYQO-HXUWFJFHSA-N 2 1 325.431 3.415 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccnc(-c4ccc(F)cc4)c3)C2)C1 ZINC001141120268 1378244170 /nfs/dbraw/zinc/24/41/70/1378244170.db2.gz NJSLEICKKCAYQO-HXUWFJFHSA-N 2 1 325.431 3.415 20 0 EGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001141155823 1378252712 /nfs/dbraw/zinc/25/27/12/1378252712.db2.gz KWAQSJXYCCMNMX-UHFFFAOYSA-N 2 1 347.365 3.034 20 0 EGADMP Fc1ccc(-c2noc([C@H]3CCC[N@@H+](C[C@@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC001327513533 1388543581 /nfs/dbraw/zinc/54/35/81/1388543581.db2.gz XJDPTFMNAXZNKJ-ZBFHGGJFSA-N 2 1 344.434 3.055 20 0 EGADMP CN(CCC[N@@H+](C)CCC1CCCCCC1)C(=O)[C@@H]1CCC[NH+]1C ZINC001280794011 1378379121 /nfs/dbraw/zinc/37/91/21/1378379121.db2.gz QRMZIWVDSCXOEN-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CN(CCC[NH+](C)CCC1CCCCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001280794011 1378379126 /nfs/dbraw/zinc/37/91/26/1378379126.db2.gz QRMZIWVDSCXOEN-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CN(CCC[NH+](C)CCC1CCCCCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001280794011 1378379133 /nfs/dbraw/zinc/37/91/33/1378379133.db2.gz QRMZIWVDSCXOEN-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP C[C@@H](C(=O)N(CC[NH+](C)C)CC1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001142307043 1378432745 /nfs/dbraw/zinc/43/27/45/1378432745.db2.gz QSSAIKKBCIDAJS-KSZLIROESA-N 2 1 337.552 3.218 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3nccnc3-c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001142969701 1378518701 /nfs/dbraw/zinc/51/87/01/1378518701.db2.gz UGOMKQCEZAAAPO-CVEARBPZSA-N 2 1 342.874 3.181 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3nccnc3-c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001142969701 1378518704 /nfs/dbraw/zinc/51/87/04/1378518704.db2.gz UGOMKQCEZAAAPO-CVEARBPZSA-N 2 1 342.874 3.181 20 0 EGADMP c1[nH+]c(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c2ccccn12 ZINC001144625789 1378752371 /nfs/dbraw/zinc/75/23/71/1378752371.db2.gz TZXYGQMUNNSUIC-PMACEKPBSA-N 2 1 346.478 3.288 20 0 EGADMP c1[nH+]c(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c2ccccn12 ZINC001144625789 1378752375 /nfs/dbraw/zinc/75/23/75/1378752375.db2.gz TZXYGQMUNNSUIC-PMACEKPBSA-N 2 1 346.478 3.288 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001146601618 1378876181 /nfs/dbraw/zinc/87/61/81/1378876181.db2.gz MWLQIYFJOVFYIK-DLBZAZTESA-N 2 1 345.531 3.277 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH2+]CC1CCCCCC1)c1ccccc1 ZINC001147457510 1379025398 /nfs/dbraw/zinc/02/53/98/1379025398.db2.gz GNWPVQMOUJRMHW-FQEVSTJZSA-N 2 1 345.531 3.356 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001148292817 1379146972 /nfs/dbraw/zinc/14/69/72/1379146972.db2.gz VCQBUKMRFBXNDV-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)(C)CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001148292817 1379146974 /nfs/dbraw/zinc/14/69/74/1379146974.db2.gz VCQBUKMRFBXNDV-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)(C)CCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001148292817 1379146977 /nfs/dbraw/zinc/14/69/77/1379146977.db2.gz VCQBUKMRFBXNDV-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@@H+](CCC1CCCCCC1)C2 ZINC001148469639 1379178930 /nfs/dbraw/zinc/17/89/30/1379178930.db2.gz POJZCQQCDCNVGX-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@H+]1CCC[C@@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC001327781246 1388595448 /nfs/dbraw/zinc/59/54/48/1388595448.db2.gz KIXBKLDZBYLNHM-AWEZNQCLSA-N 2 1 342.409 3.051 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001148605755 1379224200 /nfs/dbraw/zinc/22/42/00/1379224200.db2.gz UDXWEMRWUGERNN-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)cc2C)C[C@@H]1C ZINC001284025345 1379373095 /nfs/dbraw/zinc/37/30/95/1379373095.db2.gz IVSDLVGIGLIZAS-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2c(F)cccc2Cl)s1 ZINC001327874408 1388612298 /nfs/dbraw/zinc/61/22/98/1388612298.db2.gz DLYNQPFASGSDLW-UHFFFAOYSA-N 2 1 327.856 3.330 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)c1 ZINC001284133058 1379518294 /nfs/dbraw/zinc/51/82/94/1379518294.db2.gz UBGMBWPIDYVONA-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH2+][C@H](C)c1ccccc1)C(C)(C)C ZINC001284641934 1380047533 /nfs/dbraw/zinc/04/75/33/1380047533.db2.gz BXCYODYHCDTYDY-AEFFLSMTSA-N 2 1 333.520 3.210 20 0 EGADMP CC[N@@H+](CC(C)C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001153361674 1380063855 /nfs/dbraw/zinc/06/38/55/1380063855.db2.gz FIHKZOJEPWTSFG-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC(C)C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153361674 1380063858 /nfs/dbraw/zinc/06/38/58/1380063858.db2.gz FIHKZOJEPWTSFG-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC(C)C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153361674 1380063864 /nfs/dbraw/zinc/06/38/64/1380063864.db2.gz FIHKZOJEPWTSFG-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001153720563 1380119049 /nfs/dbraw/zinc/11/90/49/1380119049.db2.gz KPTNYBWTTAHROK-QZTJIDSGSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001153720563 1380119051 /nfs/dbraw/zinc/11/90/51/1380119051.db2.gz KPTNYBWTTAHROK-QZTJIDSGSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001153720563 1380119053 /nfs/dbraw/zinc/11/90/53/1380119053.db2.gz KPTNYBWTTAHROK-QZTJIDSGSA-N 2 1 325.541 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C)cc1 ZINC001153728730 1380119575 /nfs/dbraw/zinc/11/95/75/1380119575.db2.gz UWUQRONIVUDVLZ-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C)cc1 ZINC001153728730 1380119576 /nfs/dbraw/zinc/11/95/76/1380119576.db2.gz UWUQRONIVUDVLZ-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C)cc1 ZINC001153728730 1380119577 /nfs/dbraw/zinc/11/95/77/1380119577.db2.gz UWUQRONIVUDVLZ-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930043 1380157317 /nfs/dbraw/zinc/15/73/17/1380157317.db2.gz DVXQEFLIGBQKGF-QUCCMNQESA-N 2 1 347.547 3.216 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCCCC1)[NH+](C)C ZINC001154000810 1380174877 /nfs/dbraw/zinc/17/48/77/1380174877.db2.gz KCJGVKIFMDMDLP-SJLPKXTDSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167957 1380219753 /nfs/dbraw/zinc/21/97/53/1380219753.db2.gz WUIXXJGWUUDLHV-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464247 1380282360 /nfs/dbraw/zinc/28/23/60/1380282360.db2.gz GUPXXSIXCGDQBV-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC1CCC1)[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001154464247 1380282362 /nfs/dbraw/zinc/28/23/62/1380282362.db2.gz GUPXXSIXCGDQBV-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC1CCC1)[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001154464247 1380282365 /nfs/dbraw/zinc/28/23/65/1380282365.db2.gz GUPXXSIXCGDQBV-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154480676 1380285604 /nfs/dbraw/zinc/28/56/04/1380285604.db2.gz DPCATZQGVXOQMN-GOSISDBHSA-N 2 1 347.547 3.277 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154482088 1380286267 /nfs/dbraw/zinc/28/62/67/1380286267.db2.gz YQJZHTLPPDYJSV-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](CCc1ccccc1)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155262731 1380430126 /nfs/dbraw/zinc/43/01/26/1380430126.db2.gz GBCXAJGSCXYVDK-GOSISDBHSA-N 2 1 347.547 3.034 20 0 EGADMP CC[NH+](CCc1ccccc1)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001155262731 1380430127 /nfs/dbraw/zinc/43/01/27/1380430127.db2.gz GBCXAJGSCXYVDK-GOSISDBHSA-N 2 1 347.547 3.034 20 0 EGADMP CC[NH+](CCc1ccccc1)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001155262731 1380430128 /nfs/dbraw/zinc/43/01/28/1380430128.db2.gz GBCXAJGSCXYVDK-GOSISDBHSA-N 2 1 347.547 3.034 20 0 EGADMP c1cc2n(c1)C[C@@H](CCNc1[nH+]ccc3c4c([nH]c31)CCC4)C[NH2+]C2 ZINC001155462503 1380456664 /nfs/dbraw/zinc/45/66/64/1380456664.db2.gz MKZMXKDXGRVTPW-AWEZNQCLSA-N 2 1 335.455 3.075 20 0 EGADMP CCCCC[N@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155607661 1380472656 /nfs/dbraw/zinc/47/26/56/1380472656.db2.gz SSSMLISTGPTXHT-QGZVFWFLSA-N 2 1 336.524 3.413 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155607661 1380472659 /nfs/dbraw/zinc/47/26/59/1380472659.db2.gz SSSMLISTGPTXHT-QGZVFWFLSA-N 2 1 336.524 3.413 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001155612458 1380473887 /nfs/dbraw/zinc/47/38/87/1380473887.db2.gz WJHUWHPDNTVNJY-QZTJIDSGSA-N 2 1 325.541 3.268 20 0 EGADMP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825848 1380495650 /nfs/dbraw/zinc/49/56/50/1380495650.db2.gz UJQZJQJOYJQUDR-QGZVFWFLSA-N 2 1 346.519 3.299 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825848 1380495651 /nfs/dbraw/zinc/49/56/51/1380495651.db2.gz UJQZJQJOYJQUDR-QGZVFWFLSA-N 2 1 346.519 3.299 20 0 EGADMP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825173 1380495742 /nfs/dbraw/zinc/49/57/42/1380495742.db2.gz FRWCHWCTQQWXQO-QGZVFWFLSA-N 2 1 348.535 3.379 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825173 1380495743 /nfs/dbraw/zinc/49/57/43/1380495743.db2.gz FRWCHWCTQQWXQO-QGZVFWFLSA-N 2 1 348.535 3.379 20 0 EGADMP CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)C1 ZINC001155917839 1380505140 /nfs/dbraw/zinc/50/51/40/1380505140.db2.gz VNMWDFZQFWQOKA-AWEZNQCLSA-N 2 1 337.895 3.462 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)C1 ZINC001155917839 1380505141 /nfs/dbraw/zinc/50/51/41/1380505141.db2.gz VNMWDFZQFWQOKA-AWEZNQCLSA-N 2 1 337.895 3.462 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001328081310 1388664087 /nfs/dbraw/zinc/66/40/87/1388664087.db2.gz KIORAVAJXKCNRB-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001328081310 1388664089 /nfs/dbraw/zinc/66/40/89/1388664089.db2.gz KIORAVAJXKCNRB-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001328081310 1388664093 /nfs/dbraw/zinc/66/40/93/1388664093.db2.gz KIORAVAJXKCNRB-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)NC[C@@H](C)[N@@H+](CC)CC1CC1 ZINC001156319245 1380557960 /nfs/dbraw/zinc/55/79/60/1380557960.db2.gz RRPFCVWSTZFLHE-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP Cc1cnc(N(C)[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)c(C[NH3+])c1 ZINC001156341673 1380561593 /nfs/dbraw/zinc/56/15/93/1380561593.db2.gz LLBNSTHXXIYLCG-PXNSSMCTSA-N 2 1 338.499 3.196 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)nc1 ZINC001156401716 1380571796 /nfs/dbraw/zinc/57/17/96/1380571796.db2.gz KAXDEHIBESNFSE-SVFBPWRDSA-N 2 1 342.531 3.407 20 0 EGADMP CC[N@@H+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156465668 1380579362 /nfs/dbraw/zinc/57/93/62/1380579362.db2.gz DSXYMPWMFYLPKJ-FIIODCPWSA-N 2 1 345.531 3.258 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1cc(C)ccc1C ZINC001156510279 1380586243 /nfs/dbraw/zinc/58/62/43/1380586243.db2.gz NJUODVIUAWYDQO-LJQANCHMSA-N 2 1 347.547 3.362 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C)ccc1C ZINC001156510279 1380586244 /nfs/dbraw/zinc/58/62/44/1380586244.db2.gz NJUODVIUAWYDQO-LJQANCHMSA-N 2 1 347.547 3.362 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C)ccc1C ZINC001156510279 1380586245 /nfs/dbraw/zinc/58/62/45/1380586245.db2.gz NJUODVIUAWYDQO-LJQANCHMSA-N 2 1 347.547 3.362 20 0 EGADMP C[NH+]1CCC(c2ccc(NC(=O)c3ccc4[nH]c(N)[nH+]c4c3)cc2)CC1 ZINC001156970260 1380740056 /nfs/dbraw/zinc/74/00/56/1380740056.db2.gz AVXQFEUPLZSMQZ-UHFFFAOYSA-N 2 1 349.438 3.207 20 0 EGADMP CC[N@@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157080862 1380770378 /nfs/dbraw/zinc/77/03/78/1380770378.db2.gz AVOXLNWAHMHKDD-LJQANCHMSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[NH+]1C[C@H]2CN(c3cc4cc(OC)c(OC)cc4c[nH+]3)C[C@@H]2C1 ZINC001157698170 1381006078 /nfs/dbraw/zinc/00/60/78/1381006078.db2.gz DHUZBXUALVFVKN-IRXDYDNUSA-N 2 1 341.455 3.030 20 0 EGADMP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157701646 1381008122 /nfs/dbraw/zinc/00/81/22/1381008122.db2.gz GVUBZIBWWHPCJF-PWBPZBFBSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001157701646 1381008129 /nfs/dbraw/zinc/00/81/29/1381008129.db2.gz GVUBZIBWWHPCJF-PWBPZBFBSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001157701646 1381008132 /nfs/dbraw/zinc/00/81/32/1381008132.db2.gz GVUBZIBWWHPCJF-PWBPZBFBSA-N 2 1 335.536 3.140 20 0 EGADMP CCCc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001157886501 1381060279 /nfs/dbraw/zinc/06/02/79/1381060279.db2.gz IFMJJZOIQPGVER-HXUWFJFHSA-N 2 1 345.531 3.108 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157887368 1381061077 /nfs/dbraw/zinc/06/10/77/1381061077.db2.gz TYZLIYYJTJJDQC-PKOBYXMFSA-N 2 1 331.504 3.025 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001157893214 1381062802 /nfs/dbraw/zinc/06/28/02/1381062802.db2.gz BDQHSBBRPBBYGB-ICSRJNTNSA-N 2 1 345.531 3.333 20 0 EGADMP COCCn1ccc2c1nc[nH+]c2N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001158263476 1381177410 /nfs/dbraw/zinc/17/74/10/1381177410.db2.gz DHSLJVSQERDWJV-LIRRHRJNSA-N 2 1 345.491 3.033 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)cc1C ZINC001328266102 1388703816 /nfs/dbraw/zinc/70/38/16/1388703816.db2.gz GVDAZHLXPGXXKB-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH2+]CC1CCCCC1 ZINC001158356996 1381216071 /nfs/dbraw/zinc/21/60/71/1381216071.db2.gz YZPLNKVNASQBJX-INIZCTEOSA-N 2 1 334.508 3.073 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCCC1 ZINC001158411147 1381235584 /nfs/dbraw/zinc/23/55/84/1381235584.db2.gz ALGMXUDZNBHELY-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2ccccc2C(C)C)CC[N@H+]1C ZINC001158411569 1381237888 /nfs/dbraw/zinc/23/78/88/1381237888.db2.gz GEDIECBQMCYZPK-VQTJNVASSA-N 2 1 345.531 3.136 20 0 EGADMP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001158473045 1381257895 /nfs/dbraw/zinc/25/78/95/1381257895.db2.gz JCCQVSCXXAWWHU-SLVIYJBESA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001158473045 1381257901 /nfs/dbraw/zinc/25/79/01/1381257901.db2.gz JCCQVSCXXAWWHU-SLVIYJBESA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001158473045 1381257910 /nfs/dbraw/zinc/25/79/10/1381257910.db2.gz JCCQVSCXXAWWHU-SLVIYJBESA-N 2 1 349.563 3.388 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CC1 ZINC001158631267 1381331197 /nfs/dbraw/zinc/33/11/97/1381331197.db2.gz IRRXMUAXORMIRB-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC1 ZINC001158631267 1381331202 /nfs/dbraw/zinc/33/12/02/1381331202.db2.gz IRRXMUAXORMIRB-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC1 ZINC001158631267 1381331205 /nfs/dbraw/zinc/33/12/05/1381331205.db2.gz IRRXMUAXORMIRB-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158744178 1381379083 /nfs/dbraw/zinc/37/90/83/1381379083.db2.gz GDXYBDGKMXEVMM-SFFCAUCYSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158768124 1381389291 /nfs/dbraw/zinc/38/92/91/1381389291.db2.gz JKNFMDYMGYPGCA-ZWKOTPCHSA-N 2 1 325.541 3.077 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CCCC1 ZINC001158872584 1381444438 /nfs/dbraw/zinc/44/44/38/1381444438.db2.gz QOXCSDGBDOWOJX-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CCCC1 ZINC001158872584 1381444444 /nfs/dbraw/zinc/44/44/44/1381444444.db2.gz QOXCSDGBDOWOJX-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120277 1382002971 /nfs/dbraw/zinc/00/29/71/1382002971.db2.gz KWNYOXIECPTBHD-IBGZPJMESA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160120277 1382002982 /nfs/dbraw/zinc/00/29/82/1382002982.db2.gz KWNYOXIECPTBHD-IBGZPJMESA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160120277 1382002986 /nfs/dbraw/zinc/00/29/86/1382002986.db2.gz KWNYOXIECPTBHD-IBGZPJMESA-N 2 1 335.536 3.044 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131028 1382008376 /nfs/dbraw/zinc/00/83/76/1382008376.db2.gz DCMOINIUCHKRCG-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131028 1382008378 /nfs/dbraw/zinc/00/83/78/1382008378.db2.gz DCMOINIUCHKRCG-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001160131028 1382008381 /nfs/dbraw/zinc/00/83/81/1382008381.db2.gz DCMOINIUCHKRCG-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001160285550 1382061353 /nfs/dbraw/zinc/06/13/53/1382061353.db2.gz HKTJVSPYCGSMBD-KKHYBRAUSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160285550 1382061359 /nfs/dbraw/zinc/06/13/59/1382061359.db2.gz HKTJVSPYCGSMBD-KKHYBRAUSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160285550 1382061364 /nfs/dbraw/zinc/06/13/64/1382061364.db2.gz HKTJVSPYCGSMBD-KKHYBRAUSA-N 2 1 347.547 3.356 20 0 EGADMP C[NH+](C)C1(C(=O)NCCC2=CC[N@@H+](CC3CC(C)(C)C3)CC2)CCC1 ZINC001160360672 1382082558 /nfs/dbraw/zinc/08/25/58/1382082558.db2.gz UNKODELXEOZSLL-UHFFFAOYSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160368002 1382085090 /nfs/dbraw/zinc/08/50/90/1382085090.db2.gz YFQJMEKWCAOCAB-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP c1ccc(C[N@H+]2CCC=C(Nc3cccc4c3[C@@H]3C[NH2+]C[C@H]3O4)C2)cc1 ZINC001160394264 1382092649 /nfs/dbraw/zinc/09/26/49/1382092649.db2.gz GTBZYJMNJAKCNF-WIYYLYMNSA-N 2 1 347.462 3.336 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160499418 1382123986 /nfs/dbraw/zinc/12/39/86/1382123986.db2.gz CWDYZCVMUSVMJT-IBGZPJMESA-N 2 1 335.536 3.189 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001160499418 1382123991 /nfs/dbraw/zinc/12/39/91/1382123991.db2.gz CWDYZCVMUSVMJT-IBGZPJMESA-N 2 1 335.536 3.189 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001160499418 1382123996 /nfs/dbraw/zinc/12/39/96/1382123996.db2.gz CWDYZCVMUSVMJT-IBGZPJMESA-N 2 1 335.536 3.189 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160499419 1382124438 /nfs/dbraw/zinc/12/44/38/1382124438.db2.gz CWDYZCVMUSVMJT-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001160499419 1382124440 /nfs/dbraw/zinc/12/44/40/1382124440.db2.gz CWDYZCVMUSVMJT-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001160499419 1382124445 /nfs/dbraw/zinc/12/44/45/1382124445.db2.gz CWDYZCVMUSVMJT-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC001161226354 1382349242 /nfs/dbraw/zinc/34/92/42/1382349242.db2.gz FEGQXEJHPCLONZ-IAGOWNOFSA-N 2 1 325.541 3.029 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161382919 1382391221 /nfs/dbraw/zinc/39/12/21/1382391221.db2.gz FGHMHRMHLOSCDG-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391058 1382396129 /nfs/dbraw/zinc/39/61/29/1382396129.db2.gz OHGDXZFQSVPGBV-AZUAARDMSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161391058 1382396134 /nfs/dbraw/zinc/39/61/34/1382396134.db2.gz OHGDXZFQSVPGBV-AZUAARDMSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161391058 1382396141 /nfs/dbraw/zinc/39/61/41/1382396141.db2.gz OHGDXZFQSVPGBV-AZUAARDMSA-N 2 1 349.563 3.434 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444930 1382413094 /nfs/dbraw/zinc/41/30/94/1382413094.db2.gz MUZOZKIVKFVNBT-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001161444930 1382413097 /nfs/dbraw/zinc/41/30/97/1382413097.db2.gz MUZOZKIVKFVNBT-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001161444930 1382413101 /nfs/dbraw/zinc/41/31/01/1382413101.db2.gz MUZOZKIVKFVNBT-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]Cc1cccc(F)c1 ZINC001161518562 1382428966 /nfs/dbraw/zinc/42/89/66/1382428966.db2.gz IAHQRTKCWGMNNH-UHFFFAOYSA-N 2 1 349.494 3.075 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001161643974 1382468760 /nfs/dbraw/zinc/46/87/60/1382468760.db2.gz GEVCJYJDLBDJBD-QFBILLFUSA-N 2 1 349.494 3.103 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001161649356 1382470533 /nfs/dbraw/zinc/47/05/33/1382470533.db2.gz DHKQZFNIFWUMQG-LJQANCHMSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC=C(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001161946926 1382565213 /nfs/dbraw/zinc/56/52/13/1382565213.db2.gz MGRAQCOQNWKXNP-SFHVURJKSA-N 2 1 337.552 3.147 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001161946926 1382565217 /nfs/dbraw/zinc/56/52/17/1382565217.db2.gz MGRAQCOQNWKXNP-SFHVURJKSA-N 2 1 337.552 3.147 20 0 EGADMP Cc1[nH+]ccn1-c1cc(N(CC[NH3+])c2cccc3ccccc32)ncn1 ZINC001162004657 1382596988 /nfs/dbraw/zinc/59/69/88/1382596988.db2.gz BZJRNJAQEVQPBL-UHFFFAOYSA-N 2 1 344.422 3.221 20 0 EGADMP c1cncc(C2(CNc3[nH+]ccc4c5c([nH]c43)CCC5)CC[NH2+]CC2)c1 ZINC001162039830 1382611295 /nfs/dbraw/zinc/61/12/95/1382611295.db2.gz KTZXISKXXLJOMZ-UHFFFAOYSA-N 2 1 347.466 3.180 20 0 EGADMP COc1cccc(CC2([NH3+])CCN(c3ccc4c([nH+]3)CCC4)CC2)c1 ZINC001162048233 1382613952 /nfs/dbraw/zinc/61/39/52/1382613952.db2.gz SGLIGCNYKQQQDA-UHFFFAOYSA-N 2 1 337.467 3.119 20 0 EGADMP COC(=O)c1ccc(-c2ccc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@@H]34)[nH+]c2C)cc1 ZINC001162797839 1382875596 /nfs/dbraw/zinc/87/55/96/1382875596.db2.gz PHGHUFPAPSROLV-BHIYHBOVSA-N 2 1 349.434 3.030 20 0 EGADMP Cc1ccc2c(c1)[C@H](Nc1nc(N(C)C)cc[nH+]1)CC21CC[NH2+]CC1 ZINC001163023697 1382950272 /nfs/dbraw/zinc/95/02/72/1382950272.db2.gz LSQFABBBKIHCBH-QGZVFWFLSA-N 2 1 337.471 3.029 20 0 EGADMP Cc1cc([NH+]2CCCCC2)ccc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163178072 1382984741 /nfs/dbraw/zinc/98/47/41/1382984741.db2.gz SAIIHEMZCOYBPC-POAQFYNOSA-N 2 1 329.488 3.022 20 0 EGADMP C[N@@H+](CCC(=O)NCCC[NH2+]Cc1ccc(F)cc1)C1CCCCC1 ZINC001163274966 1383010553 /nfs/dbraw/zinc/01/05/53/1383010553.db2.gz LXWRSLRJDZWTDG-UHFFFAOYSA-N 2 1 349.494 3.076 20 0 EGADMP [NH3+]C[C@@H](Nc1nc(Cl)ccc1C[NH+]1CCCC1)c1ccccc1 ZINC001163294332 1383014577 /nfs/dbraw/zinc/01/45/77/1383014577.db2.gz NGKYKZVKDNAXNK-MRXNPFEDSA-N 2 1 330.863 3.443 20 0 EGADMP Cc1cc2c(nc[nH+]c2NC2CC[NH+](C[C@H]3CC=CCC3)CC2)[nH]1 ZINC001163315104 1383019653 /nfs/dbraw/zinc/01/96/53/1383019653.db2.gz KBKPLZYDBAGZET-HNNXBMFYSA-N 2 1 325.460 3.499 20 0 EGADMP CCCCOc1cc(F)ccc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164213261 1383166633 /nfs/dbraw/zinc/16/66/33/1383166633.db2.gz RFFAFPVIXRHDKK-UHFFFAOYSA-N 2 1 337.483 3.443 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]CC2CCC(C)CC2)C1 ZINC001164449687 1383187855 /nfs/dbraw/zinc/18/78/55/1383187855.db2.gz QARHLCHUJVZLIC-ACBHZAAOSA-N 2 1 337.552 3.031 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]CCCC(C)(C)C)C1 ZINC001164449362 1383187948 /nfs/dbraw/zinc/18/79/48/1383187948.db2.gz IWGKRHTWWISNDD-KRWDZBQOSA-N 2 1 325.541 3.031 20 0 EGADMP CC[N@H+]1CCCC[C@H]1c1ccc(-n2nc(C)c(C[NH2+]C)c2C)nc1 ZINC001165153938 1383237940 /nfs/dbraw/zinc/23/79/40/1383237940.db2.gz PBDVPTBTCAQQAW-SFHVURJKSA-N 2 1 327.476 3.150 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(CC)CC)CC1 ZINC001165333181 1383275316 /nfs/dbraw/zinc/27/53/16/1383275316.db2.gz NYXHABPIMQISII-GOSISDBHSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)=CC[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165472746 1383300022 /nfs/dbraw/zinc/30/00/22/1383300022.db2.gz RQLDHTPYWAETEO-GOSISDBHSA-N 2 1 335.536 3.092 20 0 EGADMP O=C(NCCC1(C[NH2+]CC2CCC2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001165485483 1383301476 /nfs/dbraw/zinc/30/14/76/1383301476.db2.gz XISYZCJLTSBNCK-IBGZPJMESA-N 2 1 347.547 3.070 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001165569028 1383311566 /nfs/dbraw/zinc/31/15/66/1383311566.db2.gz PMYNUTMRFKJXTI-LJQANCHMSA-N 2 1 347.547 3.237 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC2(C[NH2+]CC3CCCC3)CC2)C1 ZINC001166787592 1383477390 /nfs/dbraw/zinc/47/73/90/1383477390.db2.gz SWQRZTPSHDPABR-IBGZPJMESA-N 2 1 349.563 3.175 20 0 EGADMP CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001166802303 1383479866 /nfs/dbraw/zinc/47/98/66/1383479866.db2.gz JVLIPCBCMSCHGV-SFHVURJKSA-N 2 1 335.536 3.070 20 0 EGADMP O=C(NCCC1(C[NH2+]CC2CC2)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001166802878 1383479956 /nfs/dbraw/zinc/47/99/56/1383479956.db2.gz NLFBJCPHECXGIU-IBGZPJMESA-N 2 1 347.547 3.070 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001167352029 1383607376 /nfs/dbraw/zinc/60/73/76/1383607376.db2.gz XVNVNCNSYQSDCQ-UHFFFAOYSA-N 2 1 334.508 3.073 20 0 EGADMP CC(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385414 1383619311 /nfs/dbraw/zinc/61/93/11/1383619311.db2.gz BZBYZJMURJSFMX-GOSISDBHSA-N 2 1 337.552 3.172 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167426316 1383631086 /nfs/dbraw/zinc/63/10/86/1383631086.db2.gz RQQLQYLEIBXCEI-QZTJIDSGSA-N 2 1 335.536 3.070 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001167476347 1383645066 /nfs/dbraw/zinc/64/50/66/1383645066.db2.gz TZZWSJWWEUCDJE-UHFFFAOYSA-N 2 1 348.535 3.463 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1C(C)C)c1ccccc1 ZINC001167476468 1383645466 /nfs/dbraw/zinc/64/54/66/1383645466.db2.gz XMTZICLALNGVMT-SFHVURJKSA-N 2 1 342.487 3.254 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001167627451 1383692771 /nfs/dbraw/zinc/69/27/71/1383692771.db2.gz OAMGHRWMPUNHKZ-UYAOXDASSA-N 2 1 345.531 3.415 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCc2ccccc21 ZINC001167626511 1383692893 /nfs/dbraw/zinc/69/28/93/1383692893.db2.gz CSZBIOPSVANGPR-VQTJNVASSA-N 2 1 343.515 3.033 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001167636332 1383694638 /nfs/dbraw/zinc/69/46/38/1383694638.db2.gz SKIYWOGYDSIULN-UYAOXDASSA-N 2 1 345.531 3.415 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(F)ccc2C)[C@H](C)C1 ZINC001167683807 1383709216 /nfs/dbraw/zinc/70/92/16/1383709216.db2.gz BXPWDBNHGMQAGF-CRAIPNDOSA-N 2 1 335.467 3.125 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc(F)ccc2C)[C@H](C)C1 ZINC001167683807 1383709219 /nfs/dbraw/zinc/70/92/19/1383709219.db2.gz BXPWDBNHGMQAGF-CRAIPNDOSA-N 2 1 335.467 3.125 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc(F)ccc2C)[C@H](C)C1 ZINC001167683807 1383709223 /nfs/dbraw/zinc/70/92/23/1383709223.db2.gz BXPWDBNHGMQAGF-CRAIPNDOSA-N 2 1 335.467 3.125 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167824316 1383749579 /nfs/dbraw/zinc/74/95/79/1383749579.db2.gz DJNSATXRKYMDTL-SJORKVTESA-N 2 1 341.540 3.438 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](Oc2cccc(OC)n2)C1 ZINC001167834122 1383753061 /nfs/dbraw/zinc/75/30/61/1383753061.db2.gz HOQGOSNEXZREHN-ROUUACIJSA-N 2 1 349.519 3.444 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](Oc2cccc(OC)n2)C1 ZINC001167833762 1383753500 /nfs/dbraw/zinc/75/35/00/1383753500.db2.gz DRBQENJRQAHYQG-DLBZAZTESA-N 2 1 335.492 3.054 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccc(OC)cn2)C1 ZINC001167833906 1383753531 /nfs/dbraw/zinc/75/35/31/1383753531.db2.gz FQSSMMTZKUEVNY-IEBWSBKVSA-N 2 1 349.519 3.444 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](Oc2ncc(C)cn2)C1 ZINC001167836189 1383754024 /nfs/dbraw/zinc/75/40/24/1383754024.db2.gz XCPDBAYKBIBWNM-MSOLQXFVSA-N 2 1 334.508 3.139 20 0 EGADMP CCC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C1CCN(C(C)=O)CC1 ZINC001167838179 1383756094 /nfs/dbraw/zinc/75/60/94/1383756094.db2.gz RHAUCHCTSGBZDP-KRWDZBQOSA-N 2 1 325.541 3.220 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC001167838187 1383756189 /nfs/dbraw/zinc/75/61/89/1383756189.db2.gz RIRNVPNQPJCZMP-QFBILLFUSA-N 2 1 332.488 3.097 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC001167838187 1383756190 /nfs/dbraw/zinc/75/61/90/1383756190.db2.gz RIRNVPNQPJCZMP-QFBILLFUSA-N 2 1 332.488 3.097 20 0 EGADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(Cl)cc1 ZINC001167967937 1383781755 /nfs/dbraw/zinc/78/17/55/1383781755.db2.gz LSDSPWHIFAJQRC-XVLXNVKGSA-N 2 1 334.891 3.368 20 0 EGADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(Cl)cc1 ZINC001167967937 1383781759 /nfs/dbraw/zinc/78/17/59/1383781759.db2.gz LSDSPWHIFAJQRC-XVLXNVKGSA-N 2 1 334.891 3.368 20 0 EGADMP O[C@@H]1c2ccccc2CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969045 1383782046 /nfs/dbraw/zinc/78/20/46/1383782046.db2.gz YUDPVSCBIWNJRM-HRMWUGKZSA-N 2 1 326.484 3.030 20 0 EGADMP CC1([NH+]2CCCC2)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168002841 1383792941 /nfs/dbraw/zinc/79/29/41/1383792941.db2.gz ZSIRGABIKQXUCQ-YOFSQIOKSA-N 2 1 331.548 3.342 20 0 EGADMP C[C@@H]1CC([NH2+]Cc2cnn(CCF)c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168033455 1383800726 /nfs/dbraw/zinc/80/07/26/1383800726.db2.gz KVWXGUJROPWREP-IAGOWNOFSA-N 2 1 344.478 3.384 20 0 EGADMP CN(C[C@@H](O)C[N@H+]1CCC[C@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285328 1383863459 /nfs/dbraw/zinc/86/34/59/1383863459.db2.gz SRHVUSKESHQNDI-PZJWPPBQSA-N 2 1 330.516 3.176 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285328 1383863460 /nfs/dbraw/zinc/86/34/60/1383863460.db2.gz SRHVUSKESHQNDI-PZJWPPBQSA-N 2 1 330.516 3.176 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285328 1383863464 /nfs/dbraw/zinc/86/34/64/1383863464.db2.gz SRHVUSKESHQNDI-PZJWPPBQSA-N 2 1 330.516 3.176 20 0 EGADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285328 1383863469 /nfs/dbraw/zinc/86/34/69/1383863469.db2.gz SRHVUSKESHQNDI-PZJWPPBQSA-N 2 1 330.516 3.176 20 0 EGADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285328 1383863471 /nfs/dbraw/zinc/86/34/71/1383863471.db2.gz SRHVUSKESHQNDI-PZJWPPBQSA-N 2 1 330.516 3.176 20 0 EGADMP CN(C[C@@H](O)C[N@H+]1CCC[C@@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285329 1383863508 /nfs/dbraw/zinc/86/35/08/1383863508.db2.gz SRHVUSKESHQNDI-TZIWHRDSSA-N 2 1 330.516 3.176 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285329 1383863510 /nfs/dbraw/zinc/86/35/10/1383863510.db2.gz SRHVUSKESHQNDI-TZIWHRDSSA-N 2 1 330.516 3.176 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285329 1383863514 /nfs/dbraw/zinc/86/35/14/1383863514.db2.gz SRHVUSKESHQNDI-TZIWHRDSSA-N 2 1 330.516 3.176 20 0 EGADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285329 1383863515 /nfs/dbraw/zinc/86/35/15/1383863515.db2.gz SRHVUSKESHQNDI-TZIWHRDSSA-N 2 1 330.516 3.176 20 0 EGADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285329 1383863520 /nfs/dbraw/zinc/86/35/20/1383863520.db2.gz SRHVUSKESHQNDI-TZIWHRDSSA-N 2 1 330.516 3.176 20 0 EGADMP C[NH+](C)C1CCC([NH+]2CCC(N)(c3ccccc3Cl)CC2)CC1 ZINC001168306047 1383868381 /nfs/dbraw/zinc/86/83/81/1383868381.db2.gz PGAUQVCYYKUNTG-UHFFFAOYSA-N 2 1 335.923 3.463 20 0 EGADMP C[NH+](C)C1CCC([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)CC1 ZINC001168306047 1383868384 /nfs/dbraw/zinc/86/83/84/1383868384.db2.gz PGAUQVCYYKUNTG-UHFFFAOYSA-N 3 1 335.923 3.463 20 0 EGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168319498 1383871903 /nfs/dbraw/zinc/87/19/03/1383871903.db2.gz VNXAIDYVFAUZKF-XNIRIUNOSA-N 2 1 339.524 3.189 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001168326532 1383873077 /nfs/dbraw/zinc/87/30/77/1383873077.db2.gz ACWOZJZICLHZCN-HRTMPFAESA-N 3 1 341.543 3.457 20 0 EGADMP C[NH+](C)C1CCC([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001168326532 1383873078 /nfs/dbraw/zinc/87/30/78/1383873078.db2.gz ACWOZJZICLHZCN-HRTMPFAESA-N 3 1 341.543 3.457 20 0 EGADMP C[NH+](C)C1CCC([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001168326532 1383873081 /nfs/dbraw/zinc/87/30/81/1383873081.db2.gz ACWOZJZICLHZCN-HRTMPFAESA-N 3 1 341.543 3.457 20 0 EGADMP C[NH+](C)C1CCC([N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001168326532 1383873082 /nfs/dbraw/zinc/87/30/82/1383873082.db2.gz ACWOZJZICLHZCN-HRTMPFAESA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001168326532 1383873083 /nfs/dbraw/zinc/87/30/83/1383873083.db2.gz ACWOZJZICLHZCN-HRTMPFAESA-N 2 1 341.543 3.457 20 0 EGADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)C1CCC([NH+](C)C)CC1)C2 ZINC001168328312 1383874458 /nfs/dbraw/zinc/87/44/58/1383874458.db2.gz DZSKBTHKKPDCHV-KLAILNCOSA-N 2 1 332.488 3.148 20 0 EGADMP Cc1ccc(C[NH2+]CC2(CCNC(=O)C[N@H+](C)C(C)C)CC2)c(C)c1 ZINC001168345278 1383879161 /nfs/dbraw/zinc/87/91/61/1383879161.db2.gz NEQQFXOPJCZYCP-UHFFFAOYSA-N 2 1 345.531 3.020 20 0 EGADMP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168344388 1383879533 /nfs/dbraw/zinc/87/95/33/1383879533.db2.gz APNHKQVRYZEDGB-IEBWSBKVSA-N 2 1 345.531 3.212 20 0 EGADMP CC(C)OCC[NH+](CCOC(C)C)C1CC[NH+](CC2CC2)CC1 ZINC001168393108 1383893930 /nfs/dbraw/zinc/89/39/30/1383893930.db2.gz VUGRQZFSPWATBC-UHFFFAOYSA-N 2 1 326.525 3.013 20 0 EGADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)C1CC[NH+](CC3CC3)CC1)C2 ZINC001168389639 1383892945 /nfs/dbraw/zinc/89/29/45/1383892945.db2.gz VCNGEYFKHBSLGX-QGZVFWFLSA-N 2 1 344.499 3.150 20 0 EGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@H](C)Cc1cccc(F)c1)C2 ZINC001168483848 1383919462 /nfs/dbraw/zinc/91/94/62/1383919462.db2.gz BDTXRKGRTCUQAV-MRXNPFEDSA-N 2 1 344.478 3.309 20 0 EGADMP CCC1(Nc2cc(C)c3c(n2)CC[N@H+](Cc2ccccc2)C3)C[NH2+]C1 ZINC001168575284 1383939992 /nfs/dbraw/zinc/93/99/92/1383939992.db2.gz KQPSEDDTTZJIKD-UHFFFAOYSA-N 2 1 336.483 3.112 20 0 EGADMP COc1ccc([C@H]2C[C@H](n3c[nH+]cc3C3CC[NH2+]CC3)CCO2)cc1 ZINC001168665426 1383964146 /nfs/dbraw/zinc/96/41/46/1383964146.db2.gz QMHICKUZMDNRGT-YLJYHZDGSA-N 2 1 341.455 3.452 20 0 EGADMP COC(=O)C1(C)CCC([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001168790124 1384005491 /nfs/dbraw/zinc/00/54/91/1384005491.db2.gz IDFNIBJQTWXMAF-ZJRDLVKKSA-N 2 1 336.520 3.449 20 0 EGADMP CN(CC1CCCCC1)C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001168839506 1384028417 /nfs/dbraw/zinc/02/84/17/1384028417.db2.gz UXYUCTSSMHPOIZ-UHFFFAOYSA-N 2 1 345.531 3.219 20 0 EGADMP CN(CC1CCCCC1)C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001168839506 1384028422 /nfs/dbraw/zinc/02/84/22/1384028422.db2.gz UXYUCTSSMHPOIZ-UHFFFAOYSA-N 2 1 345.531 3.219 20 0 EGADMP CCC1(CC)CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001307928964 1384058017 /nfs/dbraw/zinc/05/80/17/1384058017.db2.gz PWZJUKFIOSWSQN-LJQANCHMSA-N 2 1 345.531 3.308 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)C2 ZINC001169094943 1384106083 /nfs/dbraw/zinc/10/60/83/1384106083.db2.gz NVPOBGRBSXOSTI-KFESYUHLSA-N 2 1 337.508 3.037 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=[NH2+])c1ccc(Br)cc1F)C2 ZINC001169108633 1384108392 /nfs/dbraw/zinc/10/83/92/1384108392.db2.gz UGTNMFVEADQXFC-CNDDSTCGSA-N 2 1 340.240 3.128 20 0 EGADMP Cc1csc([C@H]2C[C@@H]3CC[NH+]([C@@H]4C[C@H]5CC[C@@H](C4)[N@H+]5C)C[C@H]3O2)n1 ZINC001169133355 1384111882 /nfs/dbraw/zinc/11/18/82/1384111882.db2.gz DTGVRGFEPFLJQD-KHHDSSOXSA-N 2 1 347.528 3.229 20 0 EGADMP Cc1csc([C@H]2C[C@@H]3CC[NH+]([C@@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C)C[C@H]3O2)n1 ZINC001169133355 1384111884 /nfs/dbraw/zinc/11/18/84/1384111884.db2.gz DTGVRGFEPFLJQD-KHHDSSOXSA-N 2 1 347.528 3.229 20 0 EGADMP Cc1csc([C@H]2C[C@@H]3CC[N@@H+]([C@@H]4C[C@H]5CC[C@@H](C4)[NH+]5C)C[C@H]3O2)n1 ZINC001169133355 1384111885 /nfs/dbraw/zinc/11/18/85/1384111885.db2.gz DTGVRGFEPFLJQD-KHHDSSOXSA-N 2 1 347.528 3.229 20 0 EGADMP Cc1csc([C@H]2C[C@@H]3CC[N@H+]([C@@H]4C[C@H]5CC[C@@H](C4)[NH+]5C)C[C@H]3O2)n1 ZINC001169133355 1384111886 /nfs/dbraw/zinc/11/18/86/1384111886.db2.gz DTGVRGFEPFLJQD-KHHDSSOXSA-N 2 1 347.528 3.229 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CC[NH+](Cc4ccoc4)C3)CC1)C2 ZINC001169141983 1384112757 /nfs/dbraw/zinc/11/27/57/1384112757.db2.gz YTOOFLMMBQHNKM-PMOLBWCYSA-N 3 1 343.515 3.193 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CC[N@H+](Cc4ccoc4)C3)CC1)C2 ZINC001169141983 1384112758 /nfs/dbraw/zinc/11/27/58/1384112758.db2.gz YTOOFLMMBQHNKM-PMOLBWCYSA-N 2 1 343.515 3.193 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CC[N@@H+](Cc4ccoc4)C3)CC1)C2 ZINC001169141983 1384112759 /nfs/dbraw/zinc/11/27/59/1384112759.db2.gz YTOOFLMMBQHNKM-PMOLBWCYSA-N 2 1 343.515 3.193 20 0 EGADMP COc1ccccc1[C@@H](O)C[N@H+](C(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142579 1384113418 /nfs/dbraw/zinc/11/34/18/1384113418.db2.gz DGCUBSGWJIZVPK-FAJBIJEISA-N 2 1 332.488 3.064 20 0 EGADMP COc1ccccc1[C@@H](O)C[N@@H+](C(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142579 1384113420 /nfs/dbraw/zinc/11/34/20/1384113420.db2.gz DGCUBSGWJIZVPK-FAJBIJEISA-N 2 1 332.488 3.064 20 0 EGADMP COc1ccccc1[C@@H](O)C[NH+](C(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142579 1384113425 /nfs/dbraw/zinc/11/34/25/1384113425.db2.gz DGCUBSGWJIZVPK-FAJBIJEISA-N 2 1 332.488 3.064 20 0 EGADMP COc1ccccc1[C@@H](O)C[NH+](C(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142579 1384113427 /nfs/dbraw/zinc/11/34/27/1384113427.db2.gz DGCUBSGWJIZVPK-FAJBIJEISA-N 2 1 332.488 3.064 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001308280491 1384115861 /nfs/dbraw/zinc/11/58/61/1384115861.db2.gz YNSLDYORASTPLY-UHFFFAOYSA-N 2 1 348.491 3.073 20 0 EGADMP CN([C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169155130 1384116032 /nfs/dbraw/zinc/11/60/32/1384116032.db2.gz YIIKUPJAXMWIBL-PLACYPQZSA-N 2 1 327.516 3.208 20 0 EGADMP CN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155130 1384116033 /nfs/dbraw/zinc/11/60/33/1384116033.db2.gz YIIKUPJAXMWIBL-PLACYPQZSA-N 2 1 327.516 3.208 20 0 EGADMP CN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155130 1384116037 /nfs/dbraw/zinc/11/60/37/1384116037.db2.gz YIIKUPJAXMWIBL-PLACYPQZSA-N 2 1 327.516 3.208 20 0 EGADMP C[N@@H+](Cc1cccc(F)c1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169155642 1384116054 /nfs/dbraw/zinc/11/60/54/1384116054.db2.gz UCICIMBNFBIGMZ-AERCQKQUSA-N 2 1 345.506 3.347 20 0 EGADMP C[NH+](Cc1cccc(F)c1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169155642 1384116056 /nfs/dbraw/zinc/11/60/56/1384116056.db2.gz UCICIMBNFBIGMZ-AERCQKQUSA-N 2 1 345.506 3.347 20 0 EGADMP C[NH+](Cc1cccc(F)c1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169155642 1384116057 /nfs/dbraw/zinc/11/60/57/1384116057.db2.gz UCICIMBNFBIGMZ-AERCQKQUSA-N 2 1 345.506 3.347 20 0 EGADMP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cc(C)cn2cc[nH+]c12 ZINC001169173425 1384119252 /nfs/dbraw/zinc/11/92/52/1384119252.db2.gz GZSYIPCIGDAZKG-UHFFFAOYSA-N 2 1 334.423 3.405 20 0 EGADMP Cc1cc([NH+]2CCCCC2)ccc1NCc1ncn2c1C[NH2+]CCC2 ZINC001169245480 1384126881 /nfs/dbraw/zinc/12/68/81/1384126881.db2.gz WDXQLJJSCNJYCN-UHFFFAOYSA-N 2 1 339.487 3.287 20 0 EGADMP CC[NH+]1CCC(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169263735 1384129524 /nfs/dbraw/zinc/12/95/24/1384129524.db2.gz APTFMGOJXSGJPC-OAQYLSRUSA-N 2 1 327.516 3.069 20 0 EGADMP CCOC(=O)C1(C)CC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001308897324 1384157367 /nfs/dbraw/zinc/15/73/67/1384157367.db2.gz JJHSZCBHEAEVJI-NWMXVAIHSA-N 2 1 344.499 3.076 20 0 EGADMP COC(=O)Cc1cc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)cc[nH+]1 ZINC001169690981 1384174206 /nfs/dbraw/zinc/17/42/06/1384174206.db2.gz OEDARNOULICZSN-KRWDZBQOSA-N 2 1 325.412 3.037 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169799945 1384187490 /nfs/dbraw/zinc/18/74/90/1384187490.db2.gz YSHFEZSINSUIJZ-QUCCMNQESA-N 2 1 345.531 3.162 20 0 EGADMP Cc1cccc(N(C2CC[NH2+]CC2)C2CC(C)(C)N(O)C(C)(C)C2)[nH+]1 ZINC001170012334 1384217742 /nfs/dbraw/zinc/21/77/42/1384217742.db2.gz WSDTZNVIHNGQOW-UHFFFAOYSA-N 2 1 346.519 3.359 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC001170072327 1384229168 /nfs/dbraw/zinc/22/91/68/1384229168.db2.gz JRENIETXZXYUNB-QUCCMNQESA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC001170072327 1384229169 /nfs/dbraw/zinc/22/91/69/1384229169.db2.gz JRENIETXZXYUNB-QUCCMNQESA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)CCC[C@H](C)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001170072910 1384230047 /nfs/dbraw/zinc/23/00/47/1384230047.db2.gz FDUGZHWQYHIIGS-XHSDSOJGSA-N 2 1 327.513 3.128 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001170211123 1384265785 /nfs/dbraw/zinc/26/57/85/1384265785.db2.gz KJKZZIHJWFXKDH-QGZVFWFLSA-N 2 1 333.520 3.309 20 0 EGADMP CCOC(=O)CC1([NH3+])CC[NH+]([C@@H](C)Cc2ccccc2Cl)CC1 ZINC001170267026 1384279005 /nfs/dbraw/zinc/27/90/05/1384279005.db2.gz SQVVEWJBZMBILM-AWEZNQCLSA-N 2 1 338.879 3.018 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170528951 1384336293 /nfs/dbraw/zinc/33/62/93/1384336293.db2.gz DYFMWVIIWLOKNS-OWYHZJEWSA-N 2 1 348.462 3.239 20 0 EGADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CC[C@@H]4[C@@H](CCN4Cc4nccs4)C3)C[C@@H]21 ZINC001170752070 1384378837 /nfs/dbraw/zinc/37/88/37/1384378837.db2.gz UDBMTMTVYNPPOS-SMLCLMEVSA-N 2 1 331.529 3.474 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170753160 1384379912 /nfs/dbraw/zinc/37/99/12/1384379912.db2.gz MUOGHNSQNUJLJA-ZFORQUDYSA-N 2 1 332.532 3.101 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170753160 1384379916 /nfs/dbraw/zinc/37/99/16/1384379916.db2.gz MUOGHNSQNUJLJA-ZFORQUDYSA-N 2 1 332.532 3.101 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170753160 1384379921 /nfs/dbraw/zinc/37/99/21/1384379921.db2.gz MUOGHNSQNUJLJA-ZFORQUDYSA-N 2 1 332.532 3.101 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170846922 1384397875 /nfs/dbraw/zinc/39/78/75/1384397875.db2.gz BMPDNHYIAIOIOW-IAGOWNOFSA-N 2 1 337.305 3.380 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH2+]CC1CC(C)(C)C1)c1ccccc1 ZINC001170867380 1384401254 /nfs/dbraw/zinc/40/12/54/1384401254.db2.gz GAKZOPYYPHHREU-IBGZPJMESA-N 2 1 345.531 3.212 20 0 EGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001171118063 1384449150 /nfs/dbraw/zinc/44/91/50/1384449150.db2.gz CFOCQEHSKCVMNO-MSOLQXFVSA-N 2 1 325.541 3.316 20 0 EGADMP COc1cc2[nH+]ccn2cc1-n1cc(C[C@@H](C)[NH3+])c2ccc(C)cc21 ZINC001171169588 1384459354 /nfs/dbraw/zinc/45/93/54/1384459354.db2.gz PXERCPIXQHANAQ-CQSZACIVSA-N 2 1 334.423 3.485 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001171235703 1384476681 /nfs/dbraw/zinc/47/66/81/1384476681.db2.gz IUGQWXJMHWMYOB-OALUTQOASA-N 2 1 337.552 3.195 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171248647 1384478134 /nfs/dbraw/zinc/47/81/34/1384478134.db2.gz WWXSDLZWZVLUPF-APWZRJJASA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171248411 1384478274 /nfs/dbraw/zinc/47/82/74/1384478274.db2.gz UOZSGXNTJRKUDT-HKUYNNGSSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001316611207 1384481765 /nfs/dbraw/zinc/48/17/65/1384481765.db2.gz OHKMZZFADSISAA-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171539978 1384557091 /nfs/dbraw/zinc/55/70/91/1384557091.db2.gz WLYCWHLXVFCYHZ-VQIMIIECSA-N 2 1 349.494 3.075 20 0 EGADMP C[C@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171539972 1384557340 /nfs/dbraw/zinc/55/73/40/1384557340.db2.gz WLYCWHLXVFCYHZ-APWZRJJASA-N 2 1 349.494 3.075 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171546570 1384558811 /nfs/dbraw/zinc/55/88/11/1384558811.db2.gz LHOADPNECRRTNA-SJLPKXTDSA-N 2 1 337.552 3.172 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171545691 1384558937 /nfs/dbraw/zinc/55/89/37/1384558937.db2.gz FWCPBUKWPIVKDT-IEBWSBKVSA-N 2 1 337.552 3.316 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2CC[NH+]2CCC(C)CC2)C1 ZINC001171616834 1384581047 /nfs/dbraw/zinc/58/10/47/1384581047.db2.gz XKDFYBJGWHKLSZ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)C1 ZINC001171616832 1384581266 /nfs/dbraw/zinc/58/12/66/1384581266.db2.gz XKDFYBJGWHKLSZ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2cnn(CC(F)(F)F)c2)CC1(C)C ZINC001171626818 1384584334 /nfs/dbraw/zinc/58/43/34/1384584334.db2.gz CEVLICWVKMUKGW-UHFFFAOYSA-N 2 1 332.414 3.186 20 0 EGADMP COC[C@]12CCCO[C@@H]1CC[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171637720 1384588255 /nfs/dbraw/zinc/58/82/55/1384588255.db2.gz NDWHWCDFTKNRQQ-YLJYHZDGSA-N 2 1 338.536 3.155 20 0 EGADMP COC[C@@]12CCCO[C@H]1CC[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171637718 1384588283 /nfs/dbraw/zinc/58/82/83/1384588283.db2.gz NDWHWCDFTKNRQQ-PXNSSMCTSA-N 2 1 338.536 3.155 20 0 EGADMP Cc1ccnc(O[C@@H]2CCC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)n1 ZINC001171642164 1384590460 /nfs/dbraw/zinc/59/04/60/1384590460.db2.gz YPUJGLHYEQUAJP-QGZVFWFLSA-N 2 1 346.519 3.280 20 0 EGADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001171646753 1384591086 /nfs/dbraw/zinc/59/10/86/1384591086.db2.gz PBTFCUMUWZUPHX-MSOLQXFVSA-N 2 1 325.541 3.027 20 0 EGADMP Cc1ccc(CC[C@@H](C)N2CC[NH+](CC3CC[NH+](C)CC3)CC2)cc1 ZINC001171682214 1384601312 /nfs/dbraw/zinc/60/13/12/1384601312.db2.gz SMBCWTDPSHBRTR-HXUWFJFHSA-N 2 1 343.559 3.276 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1cc2ccccc2s1 ZINC001171724984 1384614840 /nfs/dbraw/zinc/61/48/40/1384614840.db2.gz BJVLARASDWHQNN-UHFFFAOYSA-N 2 1 347.528 3.229 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC001171731886 1384618409 /nfs/dbraw/zinc/61/84/09/1384618409.db2.gz PMNFPHSRSYQQIU-MSOLQXFVSA-N 2 1 325.541 3.031 20 0 EGADMP C[C@H]1C[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC001171731396 1384617400 /nfs/dbraw/zinc/61/74/00/1384617400.db2.gz AINPHKQRZLKPOK-URZNZNTCSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171731396 1384617404 /nfs/dbraw/zinc/61/74/04/1384617404.db2.gz AINPHKQRZLKPOK-URZNZNTCSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171731396 1384617407 /nfs/dbraw/zinc/61/74/07/1384617407.db2.gz AINPHKQRZLKPOK-URZNZNTCSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@@H](N2CCC([NH3+])(CC3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171738235 1384620429 /nfs/dbraw/zinc/62/04/29/1384620429.db2.gz HZWYOIHGPYDNKL-YLJYHZDGSA-N 2 1 327.516 3.243 20 0 EGADMP C[C@H]1C[C@H](N(CC[NH3+])c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC001171739212 1384621155 /nfs/dbraw/zinc/62/11/55/1384621155.db2.gz PLLASLHDHLPAOO-JXFKEZNVSA-N 2 1 327.447 3.254 20 0 EGADMP COc1ccc(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1C[NH3+] ZINC001171740312 1384621742 /nfs/dbraw/zinc/62/17/42/1384621742.db2.gz JAKMRDKTKKHSCZ-HNAYVOBHSA-N 2 1 325.456 3.229 20 0 EGADMP C[NH2+]CCc1c(C)nn([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC001171759845 1384627198 /nfs/dbraw/zinc/62/71/98/1384627198.db2.gz NPXUPOABXRALOJ-HNAYVOBHSA-N 2 1 326.488 3.097 20 0 EGADMP CCCCC[NH+]1CCN([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171761328 1384627400 /nfs/dbraw/zinc/62/74/00/1384627400.db2.gz CZAOOPFZELUQDT-CTNGQTDRSA-N 2 1 329.532 3.457 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001171770380 1384630912 /nfs/dbraw/zinc/63/09/12/1384630912.db2.gz PHHYHTKFXCEVGL-QGZVFWFLSA-N 2 1 341.499 3.339 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001171820135 1384650211 /nfs/dbraw/zinc/65/02/11/1384650211.db2.gz AXPSROQBRWJGNW-MRXNPFEDSA-N 2 1 336.524 3.282 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCCC[NH2+]C[C@H](C)CC(C)C ZINC001171821919 1384650708 /nfs/dbraw/zinc/65/07/08/1384650708.db2.gz PSBCYYTUQGPCED-SJORKVTESA-N 2 1 336.524 3.138 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCCC[NH2+]CCC1=CCCCC1 ZINC001171820987 1384651052 /nfs/dbraw/zinc/65/10/52/1384651052.db2.gz INBWTWDCEAMVGP-QGZVFWFLSA-N 2 1 346.519 3.347 20 0 EGADMP C[N@H+]1CCC[C@@H](CN[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969201 1384698862 /nfs/dbraw/zinc/69/88/62/1384698862.db2.gz UJMIUHPKWRTCRR-VQTJNVASSA-N 2 1 329.532 3.361 20 0 EGADMP C[NH+]1CCC[C@@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969201 1384698863 /nfs/dbraw/zinc/69/88/63/1384698863.db2.gz UJMIUHPKWRTCRR-VQTJNVASSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+]1CCC[C@@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969201 1384698865 /nfs/dbraw/zinc/69/88/65/1384698865.db2.gz UJMIUHPKWRTCRR-VQTJNVASSA-N 3 1 329.532 3.361 20 0 EGADMP CC1(C)C[C@@H]([NH2+]Cc2cc[nH]c(=O)c2)CC[N@H+]1Cc1ccccc1 ZINC001171973479 1384699295 /nfs/dbraw/zinc/69/92/95/1384699295.db2.gz ZICZKIOHFPWBBV-SFHVURJKSA-N 2 1 325.456 3.320 20 0 EGADMP CC1(C)C[C@@H](N(CC[NH3+])c2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC001171981719 1384702130 /nfs/dbraw/zinc/70/21/30/1384702130.db2.gz CRQBWFVKZNBZQO-IBGZPJMESA-N 2 1 338.499 3.290 20 0 EGADMP CC1(C)C[C@H]([NH2+]Cc2cncn2CCF)CC[N@@H+]1Cc1ccccc1 ZINC001171980913 1384702603 /nfs/dbraw/zinc/70/26/03/1384702603.db2.gz YHUGARFXYMDKOF-GOSISDBHSA-N 2 1 344.478 3.385 20 0 EGADMP CC1(C)C[C@H]([NH2+]Cc2cncn2CCF)CC[N@H+]1Cc1ccccc1 ZINC001171980913 1384702606 /nfs/dbraw/zinc/70/26/06/1384702606.db2.gz YHUGARFXYMDKOF-GOSISDBHSA-N 2 1 344.478 3.385 20 0 EGADMP CC1(C)C[C@@H]([NH2+]C[C@@H](O)c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC001171984465 1384704267 /nfs/dbraw/zinc/70/42/67/1384704267.db2.gz VYQQPBZDHQDQGH-VQTJNVASSA-N 2 1 339.483 3.148 20 0 EGADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064599 1384715501 /nfs/dbraw/zinc/71/55/01/1384715501.db2.gz DHGGJKGUVXHFBN-LJDSDSDDSA-N 2 1 328.500 3.321 20 0 EGADMP O=c1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc[nH]1 ZINC001172064345 1384715614 /nfs/dbraw/zinc/71/56/14/1384715614.db2.gz HEWPEZNRGUBPGT-OWZKRDHZSA-N 2 1 337.467 3.463 20 0 EGADMP O[C@@H]1CCCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068163 1384716549 /nfs/dbraw/zinc/71/65/49/1384716549.db2.gz HYBFSTOFRIGDSA-PLACYPQZSA-N 2 1 328.500 3.419 20 0 EGADMP O[C@@H]1CCCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068163 1384716552 /nfs/dbraw/zinc/71/65/52/1384716552.db2.gz HYBFSTOFRIGDSA-PLACYPQZSA-N 2 1 328.500 3.419 20 0 EGADMP O[C@@H]1CCCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068163 1384716554 /nfs/dbraw/zinc/71/65/54/1384716554.db2.gz HYBFSTOFRIGDSA-PLACYPQZSA-N 2 1 328.500 3.419 20 0 EGADMP O[C@@H]1CCCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068163 1384716563 /nfs/dbraw/zinc/71/65/63/1384716563.db2.gz HYBFSTOFRIGDSA-PLACYPQZSA-N 2 1 328.500 3.419 20 0 EGADMP COC(=O)C[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067913 1384716731 /nfs/dbraw/zinc/71/67/31/1384716731.db2.gz HUALCANQDRSODM-OQIJWPOYSA-N 2 1 330.472 3.113 20 0 EGADMP COCCOCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065420 1384716929 /nfs/dbraw/zinc/71/69/29/1384716929.db2.gz LMVGJAGDIPEYNN-MZADTFQBSA-N 2 1 346.515 3.215 20 0 EGADMP c1nc2c(n1[C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C[NH2+]CC2 ZINC001172069865 1384717870 /nfs/dbraw/zinc/71/78/70/1384717870.db2.gz UXGZMRAELUSFSR-BWTSREIZSA-N 2 1 336.483 3.287 20 0 EGADMP C[C@]1(O)CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172074298 1384719374 /nfs/dbraw/zinc/71/93/74/1384719374.db2.gz GYPXHAAHAKZLNS-WOZUAGRISA-N 2 1 328.500 3.419 20 0 EGADMP C[C@]1(O)CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172074298 1384719377 /nfs/dbraw/zinc/71/93/77/1384719377.db2.gz GYPXHAAHAKZLNS-WOZUAGRISA-N 2 1 328.500 3.419 20 0 EGADMP C[C@]1(O)CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172074298 1384719382 /nfs/dbraw/zinc/71/93/82/1384719382.db2.gz GYPXHAAHAKZLNS-WOZUAGRISA-N 2 1 328.500 3.419 20 0 EGADMP C[C@]1(O)CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172074298 1384719385 /nfs/dbraw/zinc/71/93/85/1384719385.db2.gz GYPXHAAHAKZLNS-WOZUAGRISA-N 2 1 328.500 3.419 20 0 EGADMP CN([C@@H]1CC[N@@H+](C)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074549 1384719897 /nfs/dbraw/zinc/71/98/97/1384719897.db2.gz JEIPQTZRCGRNPM-PLACYPQZSA-N 2 1 327.516 3.208 20 0 EGADMP CN([C@@H]1CC[NH+](C)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074549 1384719901 /nfs/dbraw/zinc/71/99/01/1384719901.db2.gz JEIPQTZRCGRNPM-PLACYPQZSA-N 2 1 327.516 3.208 20 0 EGADMP CN([C@@H]1CC[NH+](C)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074549 1384719906 /nfs/dbraw/zinc/71/99/06/1384719906.db2.gz JEIPQTZRCGRNPM-PLACYPQZSA-N 2 1 327.516 3.208 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CC(C)(C)C)CC1)C2 ZINC001172111322 1384729221 /nfs/dbraw/zinc/72/92/21/1384729221.db2.gz QDCADOBTRHBIIZ-LMZXCBKASA-N 2 1 349.563 3.455 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CC(C)(C)C)CC1)C2 ZINC001172111322 1384729234 /nfs/dbraw/zinc/72/92/34/1384729234.db2.gz QDCADOBTRHBIIZ-LMZXCBKASA-N 2 1 349.563 3.455 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N(CC[NH3+])C13CC4CC(CC(C4)C1)C3)C2 ZINC001172109721 1384729495 /nfs/dbraw/zinc/72/94/95/1384729495.db2.gz KJFZURHFDINAAK-QZHAEASPSA-N 2 1 331.548 3.231 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N(CC[NH3+])C13CC4CC(CC(C4)C1)C3)C2 ZINC001172109721 1384729498 /nfs/dbraw/zinc/72/94/98/1384729498.db2.gz KJFZURHFDINAAK-QZHAEASPSA-N 2 1 331.548 3.231 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CC(C)(C)C)CC1)C2 ZINC001172111323 1384729649 /nfs/dbraw/zinc/72/96/49/1384729649.db2.gz QDCADOBTRHBIIZ-YCEIQTCASA-N 2 1 349.563 3.455 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CC(C)(C)C)CC1)C2 ZINC001172111323 1384729651 /nfs/dbraw/zinc/72/96/51/1384729651.db2.gz QDCADOBTRHBIIZ-YCEIQTCASA-N 2 1 349.563 3.455 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(N3CCCOC3=O)c1)C2 ZINC001172110952 1384730025 /nfs/dbraw/zinc/73/00/25/1384730025.db2.gz RKLORWYTTDZRRJ-BCDXTJNWSA-N 2 1 343.471 3.138 20 0 EGADMP COc1cc2c(cc1OC)C[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172110635 1384730337 /nfs/dbraw/zinc/73/03/37/1384730337.db2.gz PGXJJEFFTFFRIW-OKYOBFRVSA-N 2 1 344.499 3.166 20 0 EGADMP COc1cc2c(cc1OC)C[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172110635 1384730340 /nfs/dbraw/zinc/73/03/40/1384730340.db2.gz PGXJJEFFTFFRIW-OKYOBFRVSA-N 2 1 344.499 3.166 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001172125143 1384735828 /nfs/dbraw/zinc/73/58/28/1384735828.db2.gz ORUMSMHFYLSEEG-ANWOVWILSA-N 3 1 339.527 3.066 20 0 EGADMP CC(C)C[C@@H]([NH3+])c1nc2ccccc2n1C1C[C@@H]2COC[C@H](C1)[N@@H+]2C ZINC001172128750 1384738206 /nfs/dbraw/zinc/73/82/06/1384738206.db2.gz LPBNWMIXNONBEI-NPYXIHBLSA-N 2 1 342.487 3.116 20 0 EGADMP CC(C)C[C@@H]([NH3+])c1nc2ccccc2n1C1C[C@@H]2COC[C@H](C1)[N@H+]2C ZINC001172128750 1384738207 /nfs/dbraw/zinc/73/82/07/1384738207.db2.gz LPBNWMIXNONBEI-NPYXIHBLSA-N 2 1 342.487 3.116 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)[C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172160203 1384740142 /nfs/dbraw/zinc/74/01/42/1384740142.db2.gz SFOZTXIBRBOUIQ-WTGUMLROSA-N 2 1 347.547 3.292 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)[C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172160195 1384740154 /nfs/dbraw/zinc/74/01/54/1384740154.db2.gz SFOZTXIBRBOUIQ-LWYYNNOASA-N 2 1 347.547 3.292 20 0 EGADMP CC1(C)C[C@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CO1 ZINC001172280831 1384758411 /nfs/dbraw/zinc/75/84/11/1384758411.db2.gz ZXAJNKBOIOTKBA-JQBKDIKQSA-N 2 1 334.463 3.130 20 0 EGADMP CCCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CC(CC)CC)CC1 ZINC001317004234 1384763284 /nfs/dbraw/zinc/76/32/84/1384763284.db2.gz QLABBPVOBVXVSI-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001172356102 1384776504 /nfs/dbraw/zinc/77/65/04/1384776504.db2.gz XMISKCIOSABONZ-ZIFCJYIRSA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001172356102 1384776506 /nfs/dbraw/zinc/77/65/06/1384776506.db2.gz XMISKCIOSABONZ-ZIFCJYIRSA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@@H](CC(C)C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001172400728 1384785038 /nfs/dbraw/zinc/78/50/38/1384785038.db2.gz VYNOKJCTIPOLPV-QHAWAJNXSA-N 2 1 345.531 3.429 20 0 EGADMP CC[C@@H](CC(C)C)[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001172400728 1384785042 /nfs/dbraw/zinc/78/50/42/1384785042.db2.gz VYNOKJCTIPOLPV-QHAWAJNXSA-N 2 1 345.531 3.429 20 0 EGADMP CC[C@@H](CC(C)C)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001172400728 1384785047 /nfs/dbraw/zinc/78/50/47/1384785047.db2.gz VYNOKJCTIPOLPV-QHAWAJNXSA-N 2 1 345.531 3.429 20 0 EGADMP CC(C)COCC[C@H](C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172468049 1384798922 /nfs/dbraw/zinc/79/89/22/1384798922.db2.gz VEDHYZNORZAGHT-ROUUACIJSA-N 2 1 340.552 3.449 20 0 EGADMP CC(C)COCC[C@H](C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172468051 1384798987 /nfs/dbraw/zinc/79/89/87/1384798987.db2.gz VEDHYZNORZAGHT-ZWKOTPCHSA-N 2 1 340.552 3.449 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172602108 1384816733 /nfs/dbraw/zinc/81/67/33/1384816733.db2.gz GNPDGGBYGJUORU-MKXGPGLRSA-N 2 1 336.520 3.480 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3[nH+]cccc3C)CC2)CC1 ZINC001172793072 1384852969 /nfs/dbraw/zinc/85/29/69/1384852969.db2.gz SSUBVKXGAWJHBN-IAGOWNOFSA-N 2 1 345.487 3.070 20 0 EGADMP COc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCC[C@H](OC)C3)CC2)cc1 ZINC001172925935 1384880694 /nfs/dbraw/zinc/88/06/94/1384880694.db2.gz LWUNOJNGOKKTHM-FPOVZHCZSA-N 2 1 346.515 3.249 20 0 EGADMP CC[NH+]1CCC([N@H+](C)[C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173067536 1384905562 /nfs/dbraw/zinc/90/55/62/1384905562.db2.gz BLMZWZZUCIJWQE-WBVHZDCISA-N 2 1 339.524 3.191 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173067536 1384905566 /nfs/dbraw/zinc/90/55/66/1384905566.db2.gz BLMZWZZUCIJWQE-WBVHZDCISA-N 2 1 339.524 3.191 20 0 EGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001173089473 1384911760 /nfs/dbraw/zinc/91/17/60/1384911760.db2.gz WTPDDIFRRUPIKV-AEGPPILISA-N 2 1 328.378 3.010 20 0 EGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001173089473 1384911765 /nfs/dbraw/zinc/91/17/65/1384911765.db2.gz WTPDDIFRRUPIKV-AEGPPILISA-N 2 1 328.378 3.010 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H]([C@@H](N)C(F)(F)F)C2)CC1 ZINC001173109756 1384916885 /nfs/dbraw/zinc/91/68/85/1384916885.db2.gz GFCGOOUUGBNLKQ-PRLABOORSA-N 2 1 335.458 3.241 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](Oc3nccc(C)n3)C2)CC1 ZINC001173113052 1384917918 /nfs/dbraw/zinc/91/79/18/1384917918.db2.gz GLTSHZSZTUYLJX-ACBHZAAOSA-N 2 1 346.519 3.281 20 0 EGADMP CC[C@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)C1 ZINC001173266895 1384947798 /nfs/dbraw/zinc/94/77/98/1384947798.db2.gz IHWFQLWKBIKHME-DLBZAZTESA-N 2 1 341.540 3.391 20 0 EGADMP CC[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)C1 ZINC001173281411 1384951203 /nfs/dbraw/zinc/95/12/03/1384951203.db2.gz YALWBVJEZCNIHM-MDMHHNQBSA-N 2 1 345.535 3.030 20 0 EGADMP CC[C@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)C1 ZINC001173281411 1384951204 /nfs/dbraw/zinc/95/12/04/1384951204.db2.gz YALWBVJEZCNIHM-MDMHHNQBSA-N 2 1 345.535 3.030 20 0 EGADMP CC[C@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)C1 ZINC001173281411 1384951207 /nfs/dbraw/zinc/95/12/07/1384951207.db2.gz YALWBVJEZCNIHM-MDMHHNQBSA-N 2 1 345.535 3.030 20 0 EGADMP CC[C@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)C1 ZINC001173281411 1384951210 /nfs/dbraw/zinc/95/12/10/1384951210.db2.gz YALWBVJEZCNIHM-MDMHHNQBSA-N 2 1 345.535 3.030 20 0 EGADMP CC[N@H+]1CC[C@H](n2cc(C3CC[NH2+]CC3)c3cc(OC)ccc32)C1 ZINC001173368708 1384965573 /nfs/dbraw/zinc/96/55/73/1384965573.db2.gz QSMCQBYVUCSTNA-INIZCTEOSA-N 2 1 327.472 3.384 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001317201450 1384978115 /nfs/dbraw/zinc/97/81/15/1384978115.db2.gz AWNLSYWXYYAMMB-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001317201450 1384978120 /nfs/dbraw/zinc/97/81/20/1384978120.db2.gz AWNLSYWXYYAMMB-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317201450 1384978124 /nfs/dbraw/zinc/97/81/24/1384978124.db2.gz AWNLSYWXYYAMMB-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCOC(=O)[C@H]1CC12CCC([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001173618888 1384989423 /nfs/dbraw/zinc/98/94/23/1384989423.db2.gz SOJCHJJVTBEMHN-PWAHKWAOSA-N 2 1 334.504 3.103 20 0 EGADMP CCOC(=O)[C@H]1CC12CCC([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001173618888 1384989424 /nfs/dbraw/zinc/98/94/24/1384989424.db2.gz SOJCHJJVTBEMHN-PWAHKWAOSA-N 2 1 334.504 3.103 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001173636596 1384993673 /nfs/dbraw/zinc/99/36/73/1384993673.db2.gz ZMYUPULVQLMRSB-CRAIPNDOSA-N 2 1 348.462 3.197 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3[nH+]cccc3C)CC2)C1 ZINC001173645160 1384994851 /nfs/dbraw/zinc/99/48/51/1384994851.db2.gz VKTUOEHMFYIQHL-SJLPKXTDSA-N 2 1 345.487 3.070 20 0 EGADMP C[N@@H+](CCC(=O)NC1CCC([NH2+]CC2CC2)CC1)C1CCCCC1 ZINC001317219283 1384999396 /nfs/dbraw/zinc/99/93/96/1384999396.db2.gz WAZWYVZWGJQITI-UHFFFAOYSA-N 2 1 335.536 3.068 20 0 EGADMP COC(=O)[C@@H](CCCC[NH3+])[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173685725 1385004611 /nfs/dbraw/zinc/00/46/11/1385004611.db2.gz BMBIKERTSOVCSJ-MOMVYJMYSA-N 2 1 344.499 3.073 20 0 EGADMP C[N@@H+](CC(=O)NC1CCC([NH2+]Cc2ccccc2)CC1)CC(C)(C)C ZINC001317226337 1385005818 /nfs/dbraw/zinc/00/58/18/1385005818.db2.gz KQGDMDQFJLRMLP-UHFFFAOYSA-N 2 1 345.531 3.182 20 0 EGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(C(=O)OC)cc2)C1 ZINC001173721291 1385009262 /nfs/dbraw/zinc/00/92/62/1385009262.db2.gz PMKMYFBBEHCJET-YJBOKZPZSA-N 2 1 332.488 3.257 20 0 EGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(C(=O)OC)cc2)C1 ZINC001173721291 1385009266 /nfs/dbraw/zinc/00/92/66/1385009266.db2.gz PMKMYFBBEHCJET-YJBOKZPZSA-N 2 1 332.488 3.257 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1 ZINC001173728349 1385010823 /nfs/dbraw/zinc/01/08/23/1385010823.db2.gz RYUVZXIMXZUREJ-KRWDZBQOSA-N 2 1 346.515 3.456 20 0 EGADMP CC(=O)Oc1ccc(C2CCC([NH2+]C3CC[NH+](C)CC3)CC2)cc1 ZINC001173780349 1385016070 /nfs/dbraw/zinc/01/60/70/1385016070.db2.gz LYYDLCYJRMNZQA-UHFFFAOYSA-N 2 1 330.472 3.322 20 0 EGADMP CN1CC[NH+](Cc2ccccc2Nc2ccccc2C[NH+](C)C)CC1 ZINC001173929946 1385032838 /nfs/dbraw/zinc/03/28/38/1385032838.db2.gz NGIGYHLVIPISME-UHFFFAOYSA-N 2 1 338.499 3.239 20 0 EGADMP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175255035 1385230214 /nfs/dbraw/zinc/23/02/14/1385230214.db2.gz BVVXYNWRABVVRP-OALUTQOASA-N 2 1 345.531 3.244 20 0 EGADMP C[C@@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175256224 1385230749 /nfs/dbraw/zinc/23/07/49/1385230749.db2.gz JFFNWNCRFUEBFE-IRXDYDNUSA-N 2 1 349.494 3.075 20 0 EGADMP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175263725 1385233820 /nfs/dbraw/zinc/23/38/20/1385233820.db2.gz QUSQMLLKNVCKNY-DLBZAZTESA-N 2 1 325.541 3.029 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175264783 1385234595 /nfs/dbraw/zinc/23/45/95/1385234595.db2.gz WCCYMXVNLCSFJQ-QZTJIDSGSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175264785 1385234764 /nfs/dbraw/zinc/23/47/64/1385234764.db2.gz WCCYMXVNLCSFJQ-ROUUACIJSA-N 2 1 337.552 3.173 20 0 EGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001175272757 1385236954 /nfs/dbraw/zinc/23/69/54/1385236954.db2.gz LYOZYEVPBZYXSW-WMZOPIPTSA-N 2 1 348.535 3.209 20 0 EGADMP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175295552 1385242573 /nfs/dbraw/zinc/24/25/73/1385242573.db2.gz GUGFBFIPGDFUBB-GOSISDBHSA-N 2 1 347.547 3.429 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001317536399 1385267636 /nfs/dbraw/zinc/26/76/36/1385267636.db2.gz NVFOGDUVJJHCMM-RTBURBONSA-N 2 1 343.515 3.062 20 0 EGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001175564993 1385333275 /nfs/dbraw/zinc/33/32/75/1385333275.db2.gz FQPHHTCEJHNALC-QGZVFWFLSA-N 2 1 336.524 3.461 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC001335968307 1388979076 /nfs/dbraw/zinc/97/90/76/1388979076.db2.gz AYGQQHCOMTYOLN-GOSISDBHSA-N 2 1 349.478 3.007 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC001175905611 1385434557 /nfs/dbraw/zinc/43/45/57/1385434557.db2.gz BUGYFXZUGBGUHI-FQEVSTJZSA-N 2 1 333.495 3.380 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001176024899 1385463942 /nfs/dbraw/zinc/46/39/42/1385463942.db2.gz TYMXVPMJMHMVOL-IBGZPJMESA-N 2 1 347.547 3.410 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176165402 1385501317 /nfs/dbraw/zinc/50/13/17/1385501317.db2.gz KPELKDJVZWAFJY-SJLPKXTDSA-N 2 1 325.541 3.029 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C)c1 ZINC001176278172 1385535934 /nfs/dbraw/zinc/53/59/34/1385535934.db2.gz IDQJKQXGPXYTOB-SFHVURJKSA-N 2 1 333.520 3.101 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C ZINC001176285243 1385538297 /nfs/dbraw/zinc/53/82/97/1385538297.db2.gz NYIJQPYMMPOPTK-GOSISDBHSA-N 2 1 333.520 3.101 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCc1ccc(C)cc1 ZINC001176286411 1385539909 /nfs/dbraw/zinc/53/99/09/1385539909.db2.gz VNNPPWWZFDQUFS-IBGZPJMESA-N 2 1 347.547 3.144 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001317973487 1385593522 /nfs/dbraw/zinc/59/35/22/1385593522.db2.gz XXFOWJVVMVIXBZ-MJGOQNOKSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176564134 1385626099 /nfs/dbraw/zinc/62/60/99/1385626099.db2.gz LWMXLKCPDFYUAX-DLBZAZTESA-N 2 1 325.541 3.029 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C ZINC001176758807 1385686059 /nfs/dbraw/zinc/68/60/59/1385686059.db2.gz FMLPEENYDYYSON-QZTJIDSGSA-N 2 1 325.541 3.172 20 0 EGADMP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176820073 1385713340 /nfs/dbraw/zinc/71/33/40/1385713340.db2.gz INAMCKABUTWNDK-RBUKOAKNSA-N 2 1 347.547 3.429 20 0 EGADMP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176820073 1385713344 /nfs/dbraw/zinc/71/33/44/1385713344.db2.gz INAMCKABUTWNDK-RBUKOAKNSA-N 2 1 347.547 3.429 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001176986013 1385764720 /nfs/dbraw/zinc/76/47/20/1385764720.db2.gz AZXKKLXDDASCOX-GOSISDBHSA-N 2 1 337.552 3.173 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CCC1CCCCC1)c1ccccc1 ZINC001177016690 1385773728 /nfs/dbraw/zinc/77/37/28/1385773728.db2.gz OGJOAVPCWLAUAN-HXUWFJFHSA-N 2 1 345.531 3.356 20 0 EGADMP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001177348889 1385924161 /nfs/dbraw/zinc/92/41/61/1385924161.db2.gz QCFVTVYMGOOSEN-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP C[C@H](CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC001177416564 1385949694 /nfs/dbraw/zinc/94/96/94/1385949694.db2.gz SBURKPHMWDGVKO-SVFBPWRDSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC001177416564 1385949705 /nfs/dbraw/zinc/94/97/05/1385949705.db2.gz SBURKPHMWDGVKO-SVFBPWRDSA-N 2 1 329.532 3.219 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1C(C)C ZINC001177434471 1385956241 /nfs/dbraw/zinc/95/62/41/1385956241.db2.gz XTKMAJQWTMHWLY-UHFFFAOYSA-N 2 1 334.508 3.025 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001177440156 1385957302 /nfs/dbraw/zinc/95/73/02/1385957302.db2.gz BDRRQTRDTRHHPW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@@H+](C)CC ZINC001177456668 1385963032 /nfs/dbraw/zinc/96/30/32/1385963032.db2.gz VZVCMTYXEITGAN-GOSISDBHSA-N 2 1 339.568 3.373 20 0 EGADMP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)C(C)C ZINC001177488876 1385975931 /nfs/dbraw/zinc/97/59/31/1385975931.db2.gz NQPZTOFVDSLNHK-UHFFFAOYSA-N 2 1 325.541 3.125 20 0 EGADMP C[NH+]1C(C)(C)CC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)CC1(C)C ZINC001177627019 1386010703 /nfs/dbraw/zinc/01/07/03/1386010703.db2.gz UMATWUBZUVCNLB-QGZVFWFLSA-N 2 1 347.503 3.012 20 0 EGADMP C[NH+]1C(C)(C)CC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccco2)CC1(C)C ZINC001177627019 1386010707 /nfs/dbraw/zinc/01/07/07/1386010707.db2.gz UMATWUBZUVCNLB-QGZVFWFLSA-N 2 1 347.503 3.012 20 0 EGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)c1C ZINC001319288418 1386044808 /nfs/dbraw/zinc/04/48/08/1386044808.db2.gz AOPDMSNJWRRVQT-SNRMKQJTSA-N 2 1 331.504 3.483 20 0 EGADMP CCc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001178045639 1386115904 /nfs/dbraw/zinc/11/59/04/1386115904.db2.gz QOMUBVRMWDWMFI-FQEVSTJZSA-N 2 1 345.531 3.109 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001319559479 1386178071 /nfs/dbraw/zinc/17/80/71/1386178071.db2.gz SBSBPMFZTPMMGM-DLBZAZTESA-N 2 1 345.531 3.015 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCCCF ZINC001178467747 1386226446 /nfs/dbraw/zinc/22/64/46/1386226446.db2.gz HKLPZYOEUZNYMN-SFHVURJKSA-N 2 1 343.531 3.265 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001178698892 1386282147 /nfs/dbraw/zinc/28/21/47/1386282147.db2.gz YLYGNHLSLOYLFN-KRWDZBQOSA-N 2 1 334.508 3.073 20 0 EGADMP CC1CC(C[NH2+]CCCCCCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001178733327 1386292433 /nfs/dbraw/zinc/29/24/33/1386292433.db2.gz MZZUINZDKGVRHA-CTWPCTMYSA-N 2 1 337.552 3.173 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001178733301 1386292828 /nfs/dbraw/zinc/29/28/28/1386292828.db2.gz LZYGIYCVZPIXSX-SFHVURJKSA-N 2 1 325.541 3.317 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178810291 1386314509 /nfs/dbraw/zinc/31/45/09/1386314509.db2.gz BHJBENBGEDMPBW-RTBURBONSA-N 2 1 337.552 3.460 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1cccc(F)c1 ZINC001178827397 1386318937 /nfs/dbraw/zinc/31/89/37/1386318937.db2.gz ILBGQYCUENMNQC-IBGZPJMESA-N 2 1 349.494 3.076 20 0 EGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001178853954 1386329714 /nfs/dbraw/zinc/32/97/14/1386329714.db2.gz QONPFCVZFKXWLZ-CMDGGOBGSA-N 2 1 325.541 3.339 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]CCC(C)C)C1 ZINC001179358088 1386462888 /nfs/dbraw/zinc/46/28/88/1386462888.db2.gz UVNAPJAZFNVZNM-IBGZPJMESA-N 2 1 339.568 3.421 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179409163 1386478051 /nfs/dbraw/zinc/47/80/51/1386478051.db2.gz HPSQEUMBVSVMRN-YSMJTFFMSA-N 2 1 335.536 3.042 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)[C@@H]1C ZINC001179861463 1386609701 /nfs/dbraw/zinc/60/97/01/1386609701.db2.gz XCVUYFRKUNKQSD-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(CC)cc2)[C@@H]1C ZINC001179978509 1386656552 /nfs/dbraw/zinc/65/65/52/1386656552.db2.gz DQHLPVLBEZSCPE-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2F)[C@@H]1C ZINC001179983125 1386658497 /nfs/dbraw/zinc/65/84/97/1386658497.db2.gz LXMUUKATVZLJER-GJYPPUQNSA-N 2 1 349.494 3.198 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C(C)C)cc2)[C@@H]1C ZINC001179987151 1386659239 /nfs/dbraw/zinc/65/92/39/1386659239.db2.gz MFLIFYOPVIOKFS-PXNSSMCTSA-N 2 1 345.531 3.231 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CC1CCC(C)CC1 ZINC001179988765 1386659764 /nfs/dbraw/zinc/65/97/64/1386659764.db2.gz MEBOACRRAJINOW-UHFFFAOYSA-N 2 1 339.568 3.421 20 0 EGADMP Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@H]2CC[N@H+](C)C2)c(C)c1 ZINC001180264228 1386749808 /nfs/dbraw/zinc/74/98/08/1386749808.db2.gz CWAKMSRUIMAYNG-FQEVSTJZSA-N 2 1 345.531 3.021 20 0 EGADMP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1cccc(F)c1 ZINC001180264421 1386750427 /nfs/dbraw/zinc/75/04/27/1386750427.db2.gz DUEDWMABIXBFJR-FUHWJXTLSA-N 2 1 349.494 3.105 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCCCCC[NH2+]CC1CCC(C)CC1 ZINC001180274776 1386752185 /nfs/dbraw/zinc/75/21/85/1386752185.db2.gz VTFBMHUBEOPPOX-UHFFFAOYSA-N 2 1 348.535 3.284 20 0 EGADMP C[C@H](CCC(F)(F)F)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001180310417 1386761013 /nfs/dbraw/zinc/76/10/13/1386761013.db2.gz GZABXPDMUSZAML-PBHICJAKSA-N 2 1 344.421 3.464 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+]C/C=C/c1ccccc1 ZINC001180369676 1386776868 /nfs/dbraw/zinc/77/68/68/1386776868.db2.gz RSQLEJVARSKYNF-SDNWHVSQSA-N 2 1 345.531 3.306 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCCCCCNC(=O)C[N@H+](C)C(C)C)c1 ZINC001180369790 1386776911 /nfs/dbraw/zinc/77/69/11/1386776911.db2.gz XWWLCJLQQKPKQK-UHFFFAOYSA-N 2 1 347.547 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001181441874 1386994742 /nfs/dbraw/zinc/99/47/42/1386994742.db2.gz RPMDGTAALCLXHY-YFVAEKQCSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001322051127 1387039627 /nfs/dbraw/zinc/03/96/27/1387039627.db2.gz WYKGXRQAAVTXPN-HNAYVOBHSA-N 2 1 349.494 3.029 20 0 EGADMP CCCC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181728899 1387046491 /nfs/dbraw/zinc/04/64/91/1387046491.db2.gz TWJJRUDJYVIGMB-WSTZPKSXSA-N 2 1 337.552 3.124 20 0 EGADMP O=C(NCC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[N@H+]1CC1CC1 ZINC001182559446 1387187674 /nfs/dbraw/zinc/18/76/74/1387187674.db2.gz MDDHZZPJNXVITK-FQEVSTJZSA-N 2 1 347.547 3.022 20 0 EGADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)n2)s1 ZINC001322861206 1387248002 /nfs/dbraw/zinc/24/80/02/1387248002.db2.gz HOMIRBCWLPLNOL-CQSZACIVSA-N 2 1 345.468 3.315 20 0 EGADMP COC(=O)c1ccc(CN2CCC[C@@H]2CNc2cccc(C)n2)s1 ZINC001322861206 1387248005 /nfs/dbraw/zinc/24/80/05/1387248005.db2.gz HOMIRBCWLPLNOL-CQSZACIVSA-N 2 1 345.468 3.315 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001329570161 1389160256 /nfs/dbraw/zinc/16/02/56/1389160256.db2.gz CJEGAPPLKSPINQ-QZTJIDSGSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001329622375 1389187980 /nfs/dbraw/zinc/18/79/80/1389187980.db2.gz DAEUZLNCVBCRQI-RTBURBONSA-N 2 1 345.531 3.369 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCC[NH+]1Cc1ccc(C)cc1 ZINC001329936215 1389265292 /nfs/dbraw/zinc/26/52/92/1389265292.db2.gz JYWUWQQOWODEKT-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccc(C)cc1 ZINC001329936215 1389265298 /nfs/dbraw/zinc/26/52/98/1389265298.db2.gz JYWUWQQOWODEKT-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@H+]1Cc1ccc(C)cc1 ZINC001329936215 1389265300 /nfs/dbraw/zinc/26/53/00/1389265300.db2.gz JYWUWQQOWODEKT-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CC[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001330030884 1389288895 /nfs/dbraw/zinc/28/88/95/1389288895.db2.gz HKLCPFVHMDBCQD-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](CCC2CC2)CC1 ZINC001698723760 1406371692 /nfs/dbraw/zinc/37/16/92/1406371692.db2.gz ZZRWXJQBXOVTJV-HXUWFJFHSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)CCCC(C)(C)C)CC1 ZINC001331059103 1389614573 /nfs/dbraw/zinc/61/45/73/1389614573.db2.gz JFPUXRLQMMGPOW-UHFFFAOYSA-N 2 1 325.541 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)CCCC(C)(C)C)CC1 ZINC001331059103 1389614574 /nfs/dbraw/zinc/61/45/74/1389614574.db2.gz JFPUXRLQMMGPOW-UHFFFAOYSA-N 2 1 325.541 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)CCCC(C)(C)C)CC1 ZINC001331059103 1389614577 /nfs/dbraw/zinc/61/45/77/1389614577.db2.gz JFPUXRLQMMGPOW-UHFFFAOYSA-N 2 1 325.541 3.077 20 0 EGADMP C[NH2+][C@@H](C)CCNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001332173596 1390020327 /nfs/dbraw/zinc/02/03/27/1390020327.db2.gz KTNWQEFBGMYVQL-KRWDZBQOSA-N 2 1 339.483 3.046 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H](C[NH3+])C2CCCCCC2)cn1 ZINC001340167786 1390240668 /nfs/dbraw/zinc/24/06/68/1390240668.db2.gz JWKLXGKORSNQQA-QGZVFWFLSA-N 2 1 341.459 3.060 20 0 EGADMP CCON1CCC([NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC001333556817 1390336886 /nfs/dbraw/zinc/33/68/86/1390336886.db2.gz BAVRBBOVQHLAIV-KRWDZBQOSA-N 2 1 331.504 3.218 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)c2ccc3c(c2)C[NH2+]C3)cc1Cl ZINC001333752255 1390392462 /nfs/dbraw/zinc/39/24/62/1390392462.db2.gz RLUIXJCTFBJVPW-UHFFFAOYSA-N 2 1 329.831 3.257 20 0 EGADMP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1C[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]2C1 ZINC001333839730 1390419644 /nfs/dbraw/zinc/41/96/44/1390419644.db2.gz BWMUIOSBKDINJP-IJEWVQPXSA-N 2 1 346.906 3.389 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001341717953 1390520888 /nfs/dbraw/zinc/52/08/88/1390520888.db2.gz WHWSFWXQDGTCLA-YLJYHZDGSA-N 2 1 345.531 3.313 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC001342063168 1390566752 /nfs/dbraw/zinc/56/67/52/1390566752.db2.gz MBFKESAJRGLIJP-YQVWRLOYSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001342063168 1390566756 /nfs/dbraw/zinc/56/67/56/1390566756.db2.gz MBFKESAJRGLIJP-YQVWRLOYSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cn3nc(Cl)c4ccccc43)C[C@H]2C1 ZINC001334747261 1390579178 /nfs/dbraw/zinc/57/91/78/1390579178.db2.gz HFUQHQDSADKXNQ-RRFJBIMHSA-N 2 1 332.879 3.309 20 0 EGADMP CC(C)c1[nH+]ccn1CC[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC001335315523 1390671240 /nfs/dbraw/zinc/67/12/40/1390671240.db2.gz YEQXIMAQFIISBQ-FQEVSTJZSA-N 2 1 337.467 3.353 20 0 EGADMP C[C@@H](Nc1nc(N2CCCC2)cc[nH+]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001348083796 1391170926 /nfs/dbraw/zinc/17/09/26/1391170926.db2.gz INRRKMUHQBHVDA-HZPDHXFCSA-N 2 1 329.492 3.142 20 0 EGADMP C[C@@H](Nc1nc(N2CCCC2)cc[nH+]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001348083796 1391170929 /nfs/dbraw/zinc/17/09/29/1391170929.db2.gz INRRKMUHQBHVDA-HZPDHXFCSA-N 2 1 329.492 3.142 20 0 EGADMP Cn1c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)nc2cc(Cl)ccc21 ZINC001349325268 1391320882 /nfs/dbraw/zinc/32/08/82/1391320882.db2.gz NELYYRIXSCIOER-UHFFFAOYSA-N 2 1 332.879 3.192 20 0 EGADMP [NH3+]Cc1nccnc1NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001354110230 1392120839 /nfs/dbraw/zinc/12/08/39/1392120839.db2.gz YJXXTXWCGWIQFW-INIZCTEOSA-N 2 1 345.878 3.055 20 0 EGADMP Cc1ccc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001698845543 1406546356 /nfs/dbraw/zinc/54/63/56/1406546356.db2.gz KUOZOZOXPGJFBQ-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001479334154 1392218096 /nfs/dbraw/zinc/21/80/96/1392218096.db2.gz YTGRKVHHEVRERK-HDICACEKSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@@H]([NH2+]CC1CC1)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001479826886 1392414437 /nfs/dbraw/zinc/41/44/37/1392414437.db2.gz OXPCXYIPKPITFB-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCC1CC1 ZINC001479829254 1392416479 /nfs/dbraw/zinc/41/64/79/1392416479.db2.gz LMSVUNZJKDCXJC-AEFFLSMTSA-N 2 1 346.519 3.166 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001479905021 1392472140 /nfs/dbraw/zinc/47/21/40/1392472140.db2.gz MTUMOVMYXRDDRF-IEBWSBKVSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCC[C@@H](NC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001479905021 1392472144 /nfs/dbraw/zinc/47/21/44/1392472144.db2.gz MTUMOVMYXRDDRF-IEBWSBKVSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCC[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001479905021 1392472146 /nfs/dbraw/zinc/47/21/46/1392472146.db2.gz MTUMOVMYXRDDRF-IEBWSBKVSA-N 2 1 343.515 3.121 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NC[C@H]1CCCC[N@H+]1CCCC1CCC1 ZINC001480333166 1392692121 /nfs/dbraw/zinc/69/21/21/1392692121.db2.gz WAZWLKSEMIBIGI-HXUWFJFHSA-N 2 1 349.563 3.413 20 0 EGADMP Cc1c(C(=O)NCC[N@H+](C)C/C=C/c2ccccc2)ccc2c[nH+]cn21 ZINC001480884486 1392998679 /nfs/dbraw/zinc/99/86/79/1392998679.db2.gz VAAOPZDPFOUFLT-RMKNXTFCSA-N 2 1 348.450 3.018 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@@H+](C)CCNC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC001480901436 1393007085 /nfs/dbraw/zinc/00/70/85/1393007085.db2.gz PGTMNMVBHZYHCS-PXNSSMCTSA-N 2 1 345.531 3.403 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001480901436 1393007090 /nfs/dbraw/zinc/00/70/90/1393007090.db2.gz PGTMNMVBHZYHCS-PXNSSMCTSA-N 2 1 345.531 3.403 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+](C)CCNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001480901436 1393007093 /nfs/dbraw/zinc/00/70/93/1393007093.db2.gz PGTMNMVBHZYHCS-PXNSSMCTSA-N 2 1 345.531 3.403 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001480913082 1393016734 /nfs/dbraw/zinc/01/67/34/1393016734.db2.gz IKDIPZBXRFZDTK-KRWDZBQOSA-N 2 1 333.520 3.082 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+](C)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001480913082 1393016736 /nfs/dbraw/zinc/01/67/36/1393016736.db2.gz IKDIPZBXRFZDTK-KRWDZBQOSA-N 2 1 333.520 3.082 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001480913082 1393016741 /nfs/dbraw/zinc/01/67/41/1393016741.db2.gz IKDIPZBXRFZDTK-KRWDZBQOSA-N 2 1 333.520 3.082 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[C@@H](C)c1ccccc1 ZINC001481004449 1393082533 /nfs/dbraw/zinc/08/25/33/1393082533.db2.gz CCCSKVTYMRHEIZ-OALUTQOASA-N 2 1 345.531 3.450 20 0 EGADMP CC[N@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)Cc1ccccc1F ZINC001481004698 1393082754 /nfs/dbraw/zinc/08/27/54/1393082754.db2.gz GSNDTQXCIUFYRA-QGZVFWFLSA-N 2 1 349.494 3.028 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)Cc1ccccc1F ZINC001481004698 1393082759 /nfs/dbraw/zinc/08/27/59/1393082759.db2.gz GSNDTQXCIUFYRA-QGZVFWFLSA-N 2 1 349.494 3.028 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCC2(CC2)CC1)[NH+](C)C ZINC001481064236 1393111003 /nfs/dbraw/zinc/11/10/03/1393111003.db2.gz GRZGZASWBLGBRE-RBUKOAKNSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CCCCCC1)C1CC1 ZINC001481171654 1393141076 /nfs/dbraw/zinc/14/10/76/1393141076.db2.gz KACGUMIZKVSYDF-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC1CCCCCC1)C1CC1 ZINC001481171654 1393141077 /nfs/dbraw/zinc/14/10/77/1393141077.db2.gz KACGUMIZKVSYDF-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC1CCCCCC1)C1CC1 ZINC001481171654 1393141078 /nfs/dbraw/zinc/14/10/78/1393141078.db2.gz KACGUMIZKVSYDF-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)CC1(C(=O)NCC[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001481443936 1394296918 /nfs/dbraw/zinc/29/69/18/1394296918.db2.gz HNSAOGPNFDIDJY-LJQANCHMSA-N 2 1 349.563 3.127 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC(C[N@@H+](C)CCCC3CCC3)CC2)CCC1 ZINC001481514352 1394362386 /nfs/dbraw/zinc/36/23/86/1394362386.db2.gz BQFRUGAXAKDPCR-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1)[NH+](C)C ZINC001481731544 1394480665 /nfs/dbraw/zinc/48/06/65/1394480665.db2.gz VNHDQAQHOWZTAO-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)CCC[NH+](C)C)c1 ZINC001491225657 1394482792 /nfs/dbraw/zinc/48/27/92/1394482792.db2.gz ZCEZSGDKUQAXMP-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001481779680 1394524794 /nfs/dbraw/zinc/52/47/94/1394524794.db2.gz WFKUQMNGGZYQIQ-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CCN(C(=O)CCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001481781104 1394526054 /nfs/dbraw/zinc/52/60/54/1394526054.db2.gz ADXICJSTWNPZEP-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CCN(C(=O)CCC[NH+]1CCCC1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001481781102 1394526384 /nfs/dbraw/zinc/52/63/84/1394526384.db2.gz ADXICJSTWNPZEP-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(CC)CC)CC1 ZINC001482017464 1394674713 /nfs/dbraw/zinc/67/47/13/1394674713.db2.gz POIATDITDFXRIO-FHWLQOOXSA-N 2 1 337.552 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CCCC1 ZINC001482220590 1394814623 /nfs/dbraw/zinc/81/46/23/1394814623.db2.gz DNRJGNCQQKFRKM-LJQANCHMSA-N 2 1 343.515 3.080 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC[C@]2(CC[N@@H+](CCCC(C)(C)C)C2)C1 ZINC001483845532 1395111948 /nfs/dbraw/zinc/11/19/48/1395111948.db2.gz OBJSDDLZZBXNHZ-FQEVSTJZSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC2CC2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001483907979 1395139104 /nfs/dbraw/zinc/13/91/04/1395139104.db2.gz DXROXMOYNVAJGM-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1Cc2ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc2C1 ZINC001484874753 1395576662 /nfs/dbraw/zinc/57/66/62/1395576662.db2.gz XMZMHHMIDSZLLB-IBGZPJMESA-N 2 1 331.504 3.005 20 0 EGADMP C[C@H](c1ccccc1)[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001485300733 1395779986 /nfs/dbraw/zinc/77/99/86/1395779986.db2.gz FPMKFRRYASLCBB-ZWKOTPCHSA-N 2 1 345.531 3.449 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001698996877 1406795930 /nfs/dbraw/zinc/79/59/30/1406795930.db2.gz GMOHGDJTHVTVBT-MRXNPFEDSA-N 2 1 349.494 3.009 20 0 EGADMP CCCC[N@@H+](C)C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001485761662 1396137574 /nfs/dbraw/zinc/13/75/74/1396137574.db2.gz XLJJIPHBTQCEFY-UHFFFAOYSA-N 2 1 345.531 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC001502999384 1396239135 /nfs/dbraw/zinc/23/91/35/1396239135.db2.gz APAYVNXGRWBBCJ-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC001502999384 1396239137 /nfs/dbraw/zinc/23/91/37/1396239137.db2.gz APAYVNXGRWBBCJ-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC001502999384 1396239140 /nfs/dbraw/zinc/23/91/40/1396239140.db2.gz APAYVNXGRWBBCJ-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001494908457 1396508516 /nfs/dbraw/zinc/50/85/16/1396508516.db2.gz ABKXHUSGUSRQML-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1cc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C2CCC2)c(C)c1 ZINC001496083689 1396598231 /nfs/dbraw/zinc/59/82/31/1396598231.db2.gz WGBQEQZGONCWTD-GOSISDBHSA-N 2 1 345.531 3.033 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001699011429 1406841860 /nfs/dbraw/zinc/84/18/60/1406841860.db2.gz ZEFWGXTYMZRVFO-FQEVSTJZSA-N 2 1 345.531 3.404 20 0 EGADMP C[C@@H](C[NH2+]CC1CCC(C)(C)CC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001498117637 1396921720 /nfs/dbraw/zinc/92/17/20/1396921720.db2.gz HAGIDDWFNFSELD-INIZCTEOSA-N 2 1 339.568 3.275 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001498154523 1396927565 /nfs/dbraw/zinc/92/75/65/1396927565.db2.gz ZVINXLRWNKNBSB-IRXDYDNUSA-N 2 1 341.499 3.337 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001498167902 1396929855 /nfs/dbraw/zinc/92/98/55/1396929855.db2.gz AOLLGYWNPVNNPB-AWEZNQCLSA-N 2 1 347.547 3.165 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001689879271 1404181221 /nfs/dbraw/zinc/18/12/21/1404181221.db2.gz OCTMAYHCMAVQFE-UYAOXDASSA-N 2 1 347.547 3.389 20 0 EGADMP CC(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001689909697 1404202706 /nfs/dbraw/zinc/20/27/06/1404202706.db2.gz RVLAJQQYWWDCOK-DLBZAZTESA-N 2 1 334.508 3.022 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001690049259 1404282288 /nfs/dbraw/zinc/28/22/88/1404282288.db2.gz JQLHXRCAGLYNBN-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001690049259 1404282290 /nfs/dbraw/zinc/28/22/90/1404282290.db2.gz JQLHXRCAGLYNBN-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001690049259 1404282294 /nfs/dbraw/zinc/28/22/94/1404282294.db2.gz JQLHXRCAGLYNBN-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)c1cccc(Cl)c1 ZINC001690279272 1404443946 /nfs/dbraw/zinc/44/39/46/1404443946.db2.gz YZIYJHBTRNAJEJ-JQFCIGGWSA-N 2 1 349.906 3.122 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001690942005 1404848165 /nfs/dbraw/zinc/84/81/65/1404848165.db2.gz PTJWJDXRYQIMBB-RBUKOAKNSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001690942005 1404848169 /nfs/dbraw/zinc/84/81/69/1404848169.db2.gz PTJWJDXRYQIMBB-RBUKOAKNSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001690942005 1404848174 /nfs/dbraw/zinc/84/81/74/1404848174.db2.gz PTJWJDXRYQIMBB-RBUKOAKNSA-N 2 1 331.504 3.059 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001690958252 1404866268 /nfs/dbraw/zinc/86/62/68/1404866268.db2.gz ZTMVZAMDEQRXAT-HNNXBMFYSA-N 2 1 349.906 3.077 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)[C@@H](C)c1ccccc1 ZINC001691043610 1404954551 /nfs/dbraw/zinc/95/45/51/1404954551.db2.gz SFKVPNQSXMVTCM-AZUAARDMSA-N 2 1 345.531 3.449 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[C@@H](C)c1ccccc1 ZINC001691043610 1404954555 /nfs/dbraw/zinc/95/45/55/1404954555.db2.gz SFKVPNQSXMVTCM-AZUAARDMSA-N 2 1 345.531 3.449 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)[C@@H](C)c1ccccc1 ZINC001691043610 1404954556 /nfs/dbraw/zinc/95/45/56/1404954556.db2.gz SFKVPNQSXMVTCM-AZUAARDMSA-N 2 1 345.531 3.449 20 0 EGADMP CCN(CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)Cc1ccccc1F ZINC001691043388 1404954761 /nfs/dbraw/zinc/95/47/61/1404954761.db2.gz JGLYVFVONOFXRC-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)Cc1ccccc1F ZINC001691043388 1404954769 /nfs/dbraw/zinc/95/47/69/1404954769.db2.gz JGLYVFVONOFXRC-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)Cc1ccccc1F ZINC001691043388 1404954771 /nfs/dbraw/zinc/95/47/71/1404954771.db2.gz JGLYVFVONOFXRC-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)Cc1ccccc1F ZINC001691043388 1404954773 /nfs/dbraw/zinc/95/47/73/1404954773.db2.gz JGLYVFVONOFXRC-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CCC(CC)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001691446878 1405274372 /nfs/dbraw/zinc/27/43/72/1405274372.db2.gz IZNDBTVXVFIPOA-WSTZPKSXSA-N 2 1 349.563 3.314 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001698553530 1406150794 /nfs/dbraw/zinc/15/07/94/1406150794.db2.gz INDBDQWGBXUKGN-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001698553530 1406150799 /nfs/dbraw/zinc/15/07/99/1406150799.db2.gz INDBDQWGBXUKGN-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001698553530 1406150802 /nfs/dbraw/zinc/15/08/02/1406150802.db2.gz INDBDQWGBXUKGN-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCCN(C(=O)C[NH+](C)CCC)[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001732040670 1428269712 /nfs/dbraw/zinc/26/97/12/1428269712.db2.gz JFLXPPBNXRTLFV-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)C[N@H+](C)CCC)[C@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001732040670 1428269716 /nfs/dbraw/zinc/26/97/16/1428269716.db2.gz JFLXPPBNXRTLFV-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CCC)[C@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001732040670 1428269717 /nfs/dbraw/zinc/26/97/17/1428269717.db2.gz JFLXPPBNXRTLFV-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001732153192 1428396245 /nfs/dbraw/zinc/39/62/45/1428396245.db2.gz XZOAZWGGUMHISS-FBQMEGEOSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001732153433 1428397287 /nfs/dbraw/zinc/39/72/87/1428397287.db2.gz WYKRLWSPEQRACL-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001732153433 1428397289 /nfs/dbraw/zinc/39/72/89/1428397289.db2.gz WYKRLWSPEQRACL-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001732317951 1428528481 /nfs/dbraw/zinc/52/84/81/1428528481.db2.gz SYPPKZZSGRTBMK-FQEVSTJZSA-N 2 1 345.531 3.169 20 0 EGADMP CC[C@H]([NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001699220460 1412584848 /nfs/dbraw/zinc/58/48/48/1412584848.db2.gz UJNRJLSVPPLCKO-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP C[C@@H](C[NH2+]CC1CCC(C(C)(C)C)CC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001699415660 1412729733 /nfs/dbraw/zinc/72/97/33/1412729733.db2.gz QYAYGQWLQFLXHQ-FCCDEINASA-N 2 1 337.552 3.027 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001699827175 1413254140 /nfs/dbraw/zinc/25/41/40/1413254140.db2.gz VNIUSTOCSHBBRS-GHTZIAJQSA-N 2 1 343.515 3.204 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCC3CCCCCC3)C[C@@H]2C1 ZINC001699990948 1413437771 /nfs/dbraw/zinc/43/77/71/1413437771.db2.gz SZOAKFMALRGRJZ-BGYRXZFFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CCC3CCCCCC3)C[C@@H]2C1 ZINC001699990948 1413437774 /nfs/dbraw/zinc/43/77/74/1413437774.db2.gz SZOAKFMALRGRJZ-BGYRXZFFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CCC3CCCCCC3)C[C@@H]2C1 ZINC001699990948 1413437778 /nfs/dbraw/zinc/43/77/78/1413437778.db2.gz SZOAKFMALRGRJZ-BGYRXZFFSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)[C@@H](C)c1ccccc1F ZINC001700477653 1414108375 /nfs/dbraw/zinc/10/83/75/1414108375.db2.gz SEMKCSSPDXXIQY-CVEARBPZSA-N 2 1 349.494 3.055 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@H]2CCCCC[N@H+]2CCCC2CCC2)CCC1 ZINC001700526498 1414188654 /nfs/dbraw/zinc/18/86/54/1414188654.db2.gz ZIVYUQQHJQEMAD-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@H](C(=O)N1CCC([N@@H+](C)CC2CCCC2)CC1)[NH+](CC)CC ZINC001700696542 1414354529 /nfs/dbraw/zinc/35/45/29/1414354529.db2.gz KRRUVKPWUACJFI-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(CC)cc2)C[C@H]1C ZINC001700852351 1414500158 /nfs/dbraw/zinc/50/01/58/1414500158.db2.gz VQPJYCPUWVFUBZ-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+]CC2CCCCCC2)C1 ZINC001701025297 1414686367 /nfs/dbraw/zinc/68/63/67/1414686367.db2.gz QBPGAYJEFPMJDW-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001732597057 1428837274 /nfs/dbraw/zinc/83/72/74/1428837274.db2.gz FOGAELDURJXAGC-LJQANCHMSA-N 2 1 345.531 3.322 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCCC1CCCC1)C(=O)CC[NH+]1CCCCC1 ZINC001707062175 1417178097 /nfs/dbraw/zinc/17/80/97/1417178097.db2.gz LKEYVMBDIRMXSA-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001713316709 1417942300 /nfs/dbraw/zinc/94/23/00/1417942300.db2.gz XKTRIOYSCYDDQI-MRXNPFEDSA-N 2 1 345.531 3.063 20 0 EGADMP CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713393379 1418007384 /nfs/dbraw/zinc/00/73/84/1418007384.db2.gz JMJMVDCHRKWLQM-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccccc1C(C)C ZINC001713486126 1418179677 /nfs/dbraw/zinc/17/96/77/1418179677.db2.gz WHEBEBQSFINVLQ-UHFFFAOYSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+](CC)Cc2ccccc2C)C1 ZINC001713490382 1418189083 /nfs/dbraw/zinc/18/90/83/1418189083.db2.gz DOWZXMVMRMNSHJ-HXUWFJFHSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@H+](CC)Cc2ccccc2C)C1 ZINC001713490382 1418189084 /nfs/dbraw/zinc/18/90/84/1418189084.db2.gz DOWZXMVMRMNSHJ-HXUWFJFHSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@@H+](CC)Cc2ccccc2C)C1 ZINC001713490382 1418189087 /nfs/dbraw/zinc/18/90/87/1418189087.db2.gz DOWZXMVMRMNSHJ-HXUWFJFHSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@@H](CC)c1ccc(F)cc1 ZINC001713517134 1418254187 /nfs/dbraw/zinc/25/41/87/1418254187.db2.gz CZSGCYNOZRRJNH-OALUTQOASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](CC)c1ccc(F)cc1 ZINC001713517134 1418254189 /nfs/dbraw/zinc/25/41/89/1418254189.db2.gz CZSGCYNOZRRJNH-OALUTQOASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1[C@@H](CC)c1ccc(F)cc1 ZINC001713517134 1418254194 /nfs/dbraw/zinc/25/41/94/1418254194.db2.gz CZSGCYNOZRRJNH-OALUTQOASA-N 2 1 349.494 3.199 20 0 EGADMP O=C(CCC[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001713520332 1418263177 /nfs/dbraw/zinc/26/31/77/1418263177.db2.gz SHVZDZGHKYWGDW-HXUWFJFHSA-N 2 1 349.563 3.413 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001713530355 1418278155 /nfs/dbraw/zinc/27/81/55/1418278155.db2.gz DLCXKCGWXFZNNV-YLJYHZDGSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001713530355 1418278158 /nfs/dbraw/zinc/27/81/58/1418278158.db2.gz DLCXKCGWXFZNNV-YLJYHZDGSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001713530355 1418278160 /nfs/dbraw/zinc/27/81/60/1418278160.db2.gz DLCXKCGWXFZNNV-YLJYHZDGSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)c1ccccc1C ZINC001713546315 1418316671 /nfs/dbraw/zinc/31/66/71/1418316671.db2.gz HDTZYPJBCKHFDL-WSTZPKSXSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H](C)c1ccccc1C ZINC001713546315 1418316676 /nfs/dbraw/zinc/31/66/76/1418316676.db2.gz HDTZYPJBCKHFDL-WSTZPKSXSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H](C)c1ccccc1C ZINC001713546315 1418316680 /nfs/dbraw/zinc/31/66/80/1418316680.db2.gz HDTZYPJBCKHFDL-WSTZPKSXSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H](C)c1cc(C)ccc1C ZINC001713549415 1418326107 /nfs/dbraw/zinc/32/61/07/1418326107.db2.gz QRIALTVGOJZEOV-UYAOXDASSA-N 2 1 345.531 3.287 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@H](C)c1cc(C)ccc1C ZINC001713549415 1418326113 /nfs/dbraw/zinc/32/61/13/1418326113.db2.gz QRIALTVGOJZEOV-UYAOXDASSA-N 2 1 345.531 3.287 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@H](C)c1cc(C)ccc1C ZINC001713549415 1418326114 /nfs/dbraw/zinc/32/61/14/1418326114.db2.gz QRIALTVGOJZEOV-UYAOXDASSA-N 2 1 345.531 3.287 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001713557689 1418350949 /nfs/dbraw/zinc/35/09/49/1418350949.db2.gz NUNUFTSMBSTYAV-LJQANCHMSA-N 2 1 343.515 3.203 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001713784863 1418600886 /nfs/dbraw/zinc/60/08/86/1418600886.db2.gz PNSKNDQUHUABNZ-FCEWJHQRSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001713784863 1418600888 /nfs/dbraw/zinc/60/08/88/1418600888.db2.gz PNSKNDQUHUABNZ-FCEWJHQRSA-N 2 1 349.494 3.054 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001713804904 1418617921 /nfs/dbraw/zinc/61/79/21/1418617921.db2.gz NEIRGIGIGVCKKY-LLHWWHOWSA-N 2 1 335.536 3.189 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001714117332 1418921355 /nfs/dbraw/zinc/92/13/55/1418921355.db2.gz VDWFOLLMVIJDSX-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001714117332 1418921357 /nfs/dbraw/zinc/92/13/57/1418921357.db2.gz VDWFOLLMVIJDSX-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001714117332 1418921359 /nfs/dbraw/zinc/92/13/59/1418921359.db2.gz VDWFOLLMVIJDSX-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001714439761 1419171666 /nfs/dbraw/zinc/17/16/66/1419171666.db2.gz YOMOOVLVNJCLQM-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]([N@H+](C)CCCC2CCCC2)C1)C1CCC1 ZINC001714439761 1419171667 /nfs/dbraw/zinc/17/16/67/1419171667.db2.gz YOMOOVLVNJCLQM-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]([N@@H+](C)CCCC2CCCC2)C1)C1CCC1 ZINC001714439761 1419171668 /nfs/dbraw/zinc/17/16/68/1419171668.db2.gz YOMOOVLVNJCLQM-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+](C)CC2CCCCCC2)C1 ZINC001714556533 1419284328 /nfs/dbraw/zinc/28/43/28/1419284328.db2.gz QNBSTNGEGYCQGF-LJQANCHMSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@H+](C)CC2CCCCCC2)C1 ZINC001714556533 1419284331 /nfs/dbraw/zinc/28/43/31/1419284331.db2.gz QNBSTNGEGYCQGF-LJQANCHMSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@@H+](C)CC2CCCCCC2)C1 ZINC001714556533 1419284332 /nfs/dbraw/zinc/28/43/32/1419284332.db2.gz QNBSTNGEGYCQGF-LJQANCHMSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1c(C)cccc1C ZINC001714621936 1419389144 /nfs/dbraw/zinc/38/91/44/1419389144.db2.gz ZNRKGOZKACLLLT-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1c(C)cccc1C ZINC001714621936 1419389148 /nfs/dbraw/zinc/38/91/48/1419389148.db2.gz ZNRKGOZKACLLLT-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1c(C)cccc1C ZINC001714621936 1419389152 /nfs/dbraw/zinc/38/91/52/1419389152.db2.gz ZNRKGOZKACLLLT-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1c(C)cc(C)cc1C ZINC001714648191 1419424676 /nfs/dbraw/zinc/42/46/76/1419424676.db2.gz ZFUPYOYMQGXCIB-HXUWFJFHSA-N 2 1 345.531 3.034 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1c(C)cc(C)cc1C ZINC001714648191 1419424678 /nfs/dbraw/zinc/42/46/78/1419424678.db2.gz ZFUPYOYMQGXCIB-HXUWFJFHSA-N 2 1 345.531 3.034 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1c(C)cc(C)cc1C ZINC001714648191 1419424679 /nfs/dbraw/zinc/42/46/79/1419424679.db2.gz ZFUPYOYMQGXCIB-HXUWFJFHSA-N 2 1 345.531 3.034 20 0 EGADMP Cc1cc(C)cc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001714749671 1419493189 /nfs/dbraw/zinc/49/31/89/1419493189.db2.gz LHHVKEIDUQVVGN-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@H]1CC[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001714885397 1419625946 /nfs/dbraw/zinc/62/59/46/1419625946.db2.gz WPTCKFLIPYWIKG-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001714885397 1419625952 /nfs/dbraw/zinc/62/59/52/1419625952.db2.gz WPTCKFLIPYWIKG-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001714885397 1419625956 /nfs/dbraw/zinc/62/59/56/1419625956.db2.gz WPTCKFLIPYWIKG-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001715048412 1419789867 /nfs/dbraw/zinc/78/98/67/1419789867.db2.gz YGPFOHQVGWOZJC-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC1CC[NH+](CC2CC(C)C2)CC1 ZINC001715203869 1419937348 /nfs/dbraw/zinc/93/73/48/1419937348.db2.gz KNUYPXGBPXSZCX-UUKMXZOPSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001715375261 1420071449 /nfs/dbraw/zinc/07/14/49/1420071449.db2.gz LTKYNIYXRXBYOW-UONOGXRCSA-N 2 1 348.878 3.043 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001716040954 1420502230 /nfs/dbraw/zinc/50/22/30/1420502230.db2.gz KIHQFRPWIKNZFB-YLJYHZDGSA-N 2 1 345.531 3.306 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCCC(C)(C)C)C1 ZINC001716051942 1420516421 /nfs/dbraw/zinc/51/64/21/1420516421.db2.gz UCUHORUMVCHBDT-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001716219941 1420570423 /nfs/dbraw/zinc/57/04/23/1420570423.db2.gz HQZNKLNZXGPVHN-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001716418317 1420645836 /nfs/dbraw/zinc/64/58/36/1420645836.db2.gz LDBJLKVWXHAISA-IAGOWNOFSA-N 2 1 347.547 3.481 20 0 EGADMP CC[C@@H](C(=O)N1CCC([N@@H+](CCC(C)C)CC2CC2)CC1)[NH+](C)C ZINC001733277716 1429443942 /nfs/dbraw/zinc/44/39/42/1429443942.db2.gz XCXWTFMTHUGWMB-IBGZPJMESA-N 2 1 337.552 3.076 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCCC(C)(C)C)CC2 ZINC001716724870 1420883213 /nfs/dbraw/zinc/88/32/13/1420883213.db2.gz ADEDBRMDZMVXPM-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001733277461 1429443549 /nfs/dbraw/zinc/44/35/49/1429443549.db2.gz TYSFLMNHDSDDBO-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001733277461 1429443553 /nfs/dbraw/zinc/44/35/53/1429443553.db2.gz TYSFLMNHDSDDBO-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001733277461 1429443555 /nfs/dbraw/zinc/44/35/55/1429443555.db2.gz TYSFLMNHDSDDBO-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1Cc2ccc(CNC(=O)[C@H](C)[NH+]3CCCCCC3)cc2C1 ZINC001717270626 1421227902 /nfs/dbraw/zinc/22/79/02/1421227902.db2.gz GAOIVFKHPLDSKY-KRWDZBQOSA-N 2 1 343.515 3.291 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCCCCC2)CC1 ZINC001717371275 1421310210 /nfs/dbraw/zinc/31/02/10/1421310210.db2.gz NJAGCVOOAFWEIX-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)CC1CCCCCC1 ZINC001717374640 1421315926 /nfs/dbraw/zinc/31/59/26/1421315926.db2.gz VJQPVYMCXIRLIP-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCCC1 ZINC001717374640 1421315930 /nfs/dbraw/zinc/31/59/30/1421315930.db2.gz VJQPVYMCXIRLIP-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCCC1 ZINC001717374640 1421315932 /nfs/dbraw/zinc/31/59/32/1421315932.db2.gz VJQPVYMCXIRLIP-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001717451408 1421381202 /nfs/dbraw/zinc/38/12/02/1421381202.db2.gz SUJBCSQGUKNBKV-HKUYNNGSSA-N 2 1 345.531 3.224 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001718032417 1421784774 /nfs/dbraw/zinc/78/47/74/1421784774.db2.gz OFBUHGNEGZUIKH-PKOBYXMFSA-N 2 1 337.552 3.003 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)C[C@H]1C ZINC001733336229 1429520754 /nfs/dbraw/zinc/52/07/54/1429520754.db2.gz RRFANMORXBIKAJ-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001724554864 1424910494 /nfs/dbraw/zinc/91/04/94/1424910494.db2.gz NVFQSQQUJGFAIA-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C1CCC([NH2+]Cc2ccccc2C)CC1 ZINC001725136345 1425610950 /nfs/dbraw/zinc/61/09/50/1425610950.db2.gz GYGRMXMMUMKCPG-UHFFFAOYSA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001725669529 1426353700 /nfs/dbraw/zinc/35/37/00/1426353700.db2.gz XTDHAWHEPHDNSW-RBUKOAKNSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2ccc(C)cc2C)C1 ZINC001731721560 1427791710 /nfs/dbraw/zinc/79/17/10/1427791710.db2.gz UWOOALIBQBYPCA-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C)cc2C)C1 ZINC001731721560 1427791717 /nfs/dbraw/zinc/79/17/17/1427791717.db2.gz UWOOALIBQBYPCA-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C)cc2C)C1 ZINC001731721560 1427791719 /nfs/dbraw/zinc/79/17/19/1427791719.db2.gz UWOOALIBQBYPCA-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001731790579 1427931072 /nfs/dbraw/zinc/93/10/72/1427931072.db2.gz KSRUDGPIRYWLBV-KRWDZBQOSA-N 2 1 347.547 3.435 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001731790579 1427931074 /nfs/dbraw/zinc/93/10/74/1427931074.db2.gz KSRUDGPIRYWLBV-KRWDZBQOSA-N 2 1 347.547 3.435 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC001733771333 1430004665 /nfs/dbraw/zinc/00/46/65/1430004665.db2.gz XHHLRWNDZXVDMO-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001733771333 1430004668 /nfs/dbraw/zinc/00/46/68/1430004668.db2.gz XHHLRWNDZXVDMO-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001733771333 1430004684 /nfs/dbraw/zinc/00/46/84/1430004684.db2.gz XHHLRWNDZXVDMO-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)[C@H](C)C1 ZINC001733901020 1437719336 /nfs/dbraw/zinc/71/93/36/1437719336.db2.gz MJMUFUVGESPTDL-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)[C@H](C)C1 ZINC001733901020 1437719337 /nfs/dbraw/zinc/71/93/37/1437719337.db2.gz MJMUFUVGESPTDL-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCCC(C)(C)C)[C@H](C)C1 ZINC001733901020 1437719338 /nfs/dbraw/zinc/71/93/38/1437719338.db2.gz MJMUFUVGESPTDL-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1CC1CCCCC1 ZINC001733902338 1437720595 /nfs/dbraw/zinc/72/05/95/1437720595.db2.gz RLUIUOAMPXRFEU-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001734017351 1437807476 /nfs/dbraw/zinc/80/74/76/1437807476.db2.gz JFCHDQGHGYYTKA-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001734041388 1437830045 /nfs/dbraw/zinc/83/00/45/1437830045.db2.gz ACFIMEJLRMHXMV-KRWDZBQOSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC001734351252 1438069183 /nfs/dbraw/zinc/06/91/83/1438069183.db2.gz AEKIKFXZYITKEA-PXNSSMCTSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)[C@H]1C ZINC001734404427 1438084060 /nfs/dbraw/zinc/08/40/60/1438084060.db2.gz KAJLLCIWFLWATO-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CCC2=CCCCC2)CC[N@H+]1C ZINC001751978829 1440130134 /nfs/dbraw/zinc/13/01/34/1440130134.db2.gz HZRGEZXWYZZUGT-RBUKOAKNSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](C)CCC2=CCCCC2)CC[NH+]1C ZINC001751978829 1440130136 /nfs/dbraw/zinc/13/01/36/1440130136.db2.gz HZRGEZXWYZZUGT-RBUKOAKNSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](C)CCC2=CCCCC2)CC[NH+]1C ZINC001751978829 1440130137 /nfs/dbraw/zinc/13/01/37/1440130137.db2.gz HZRGEZXWYZZUGT-RBUKOAKNSA-N 2 1 335.536 3.045 20 0 EGADMP CC[N@@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC1=CCCCC1 ZINC001752229534 1440158045 /nfs/dbraw/zinc/15/80/45/1440158045.db2.gz LTOWJQIHHCOQSV-QZTJIDSGSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001752527669 1440193384 /nfs/dbraw/zinc/19/33/84/1440193384.db2.gz LXMRCUYHRDJDKD-OALUTQOASA-N 2 1 345.531 3.260 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H](C[N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001752527669 1440193385 /nfs/dbraw/zinc/19/33/85/1440193385.db2.gz LXMRCUYHRDJDKD-OALUTQOASA-N 2 1 345.531 3.260 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H](C[N@@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001752527669 1440193386 /nfs/dbraw/zinc/19/33/86/1440193386.db2.gz LXMRCUYHRDJDKD-OALUTQOASA-N 2 1 345.531 3.260 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001752566351 1440195420 /nfs/dbraw/zinc/19/54/20/1440195420.db2.gz QMPWJGYJTBQSFG-YSIASYRMSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001752825912 1440223524 /nfs/dbraw/zinc/22/35/24/1440223524.db2.gz BZAQWERLYALGFR-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001752825912 1440223525 /nfs/dbraw/zinc/22/35/25/1440223525.db2.gz BZAQWERLYALGFR-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@H](C)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001752825912 1440223526 /nfs/dbraw/zinc/22/35/26/1440223526.db2.gz BZAQWERLYALGFR-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@H](C)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001752825912 1440223527 /nfs/dbraw/zinc/22/35/27/1440223527.db2.gz BZAQWERLYALGFR-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001752832528 1440226150 /nfs/dbraw/zinc/22/61/50/1440226150.db2.gz XSGIEBCJCRMPKD-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC001752833535 1440226473 /nfs/dbraw/zinc/22/64/73/1440226473.db2.gz HDXIQRGSTDYLSV-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752835398 1440227453 /nfs/dbraw/zinc/22/74/53/1440227453.db2.gz FNPZKDXJDBHHNE-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001752835398 1440227454 /nfs/dbraw/zinc/22/74/54/1440227454.db2.gz FNPZKDXJDBHHNE-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001752835398 1440227455 /nfs/dbraw/zinc/22/74/55/1440227455.db2.gz FNPZKDXJDBHHNE-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001752839234 1440229481 /nfs/dbraw/zinc/22/94/81/1440229481.db2.gz CRIHCWWHAFPPGY-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]CCC2CCCCC2)C1 ZINC001752894551 1440241525 /nfs/dbraw/zinc/24/15/25/1440241525.db2.gz JLGIWIWDZFQEIL-HKUYNNGSSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC001752959005 1440253094 /nfs/dbraw/zinc/25/30/94/1440253094.db2.gz RUEVBBGEWLMPET-QFBILLFUSA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001752963794 1440253749 /nfs/dbraw/zinc/25/37/49/1440253749.db2.gz QFHYWPZZVXFHTK-ICSRJNTNSA-N 2 1 345.531 3.164 20 0 EGADMP C[N@@H+](CCCC1CCC1)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001753000103 1440264161 /nfs/dbraw/zinc/26/41/61/1440264161.db2.gz NJMGGBKGXVUEJW-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CCC(C)(C)C ZINC001753014457 1440268064 /nfs/dbraw/zinc/26/80/64/1440268064.db2.gz MXALLFHNJMONIK-IAGOWNOFSA-N 2 1 325.541 3.170 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC2CCC2)C1 ZINC001753034407 1440274128 /nfs/dbraw/zinc/27/41/28/1440274128.db2.gz HJTDSULRCONXOP-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CCC2)C1 ZINC001753034407 1440274129 /nfs/dbraw/zinc/27/41/29/1440274129.db2.gz HJTDSULRCONXOP-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCCC[C@@H]2CCC[N@H+]2CC2CCC2)C1 ZINC001753034407 1440274130 /nfs/dbraw/zinc/27/41/30/1440274130.db2.gz HJTDSULRCONXOP-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@@H+](C)CCNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001753056088 1440281292 /nfs/dbraw/zinc/28/12/92/1440281292.db2.gz PGTMNMVBHZYHCS-FXAWDEMLSA-N 2 1 345.531 3.403 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001753056088 1440281293 /nfs/dbraw/zinc/28/12/93/1440281293.db2.gz PGTMNMVBHZYHCS-FXAWDEMLSA-N 2 1 345.531 3.403 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+](C)CCNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001753056088 1440281294 /nfs/dbraw/zinc/28/12/94/1440281294.db2.gz PGTMNMVBHZYHCS-FXAWDEMLSA-N 2 1 345.531 3.403 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NCC[N@@H+](C)CC2CCCCCC2)cc1 ZINC001753066858 1440285854 /nfs/dbraw/zinc/28/58/54/1440285854.db2.gz DHZSBOKBAYLHAX-UHFFFAOYSA-N 2 1 345.531 3.380 20 0 EGADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)CCC1=CCCCC1)[NH+]1CCCC1 ZINC001753074135 1440290232 /nfs/dbraw/zinc/29/02/32/1440290232.db2.gz AHEKELQGBSEYBZ-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CCC(C)(C)C ZINC001753083801 1440295252 /nfs/dbraw/zinc/29/52/52/1440295252.db2.gz RQCJLIRFOWNCOI-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CCC(C)(C)C ZINC001753083801 1440295253 /nfs/dbraw/zinc/29/52/53/1440295253.db2.gz RQCJLIRFOWNCOI-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)CCC(C)(C)C ZINC001753083801 1440295254 /nfs/dbraw/zinc/29/52/54/1440295254.db2.gz RQCJLIRFOWNCOI-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001753103600 1440305217 /nfs/dbraw/zinc/30/52/17/1440305217.db2.gz MVRBBNLFQGLUTF-SFHVURJKSA-N 2 1 337.552 3.410 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001753103600 1440305218 /nfs/dbraw/zinc/30/52/18/1440305218.db2.gz MVRBBNLFQGLUTF-SFHVURJKSA-N 2 1 337.552 3.410 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001753103600 1440305219 /nfs/dbraw/zinc/30/52/19/1440305219.db2.gz MVRBBNLFQGLUTF-SFHVURJKSA-N 2 1 337.552 3.410 20 0 EGADMP CCCCC[N@H+]1CC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001753128748 1440315736 /nfs/dbraw/zinc/31/57/36/1440315736.db2.gz JPJJTGYKRXBOOT-HNNXBMFYSA-N 2 1 337.533 3.052 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001753213107 1440339332 /nfs/dbraw/zinc/33/93/32/1440339332.db2.gz VNZTZYFOGYMZPN-QGZVFWFLSA-N 2 1 342.487 3.124 20 0 EGADMP O=C(C[NH+]1CCCC1)NCC[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001753339355 1440374430 /nfs/dbraw/zinc/37/44/30/1440374430.db2.gz OLURCIKCUXINTQ-HXUWFJFHSA-N 2 1 349.563 3.271 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001753341231 1440375507 /nfs/dbraw/zinc/37/55/07/1440375507.db2.gz UBCBZXGTGNHTOX-ICSRJNTNSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001753341231 1440375508 /nfs/dbraw/zinc/37/55/08/1440375508.db2.gz UBCBZXGTGNHTOX-ICSRJNTNSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001753341231 1440375509 /nfs/dbraw/zinc/37/55/09/1440375509.db2.gz UBCBZXGTGNHTOX-ICSRJNTNSA-N 2 1 345.531 3.306 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001753359018 1440381488 /nfs/dbraw/zinc/38/14/88/1440381488.db2.gz DPFBFRRSSWWPSU-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001753359018 1440381489 /nfs/dbraw/zinc/38/14/89/1440381489.db2.gz DPFBFRRSSWWPSU-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001753359018 1440381490 /nfs/dbraw/zinc/38/14/90/1440381490.db2.gz DPFBFRRSSWWPSU-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)=CC[N@H+](C)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001753366313 1440385460 /nfs/dbraw/zinc/38/54/60/1440385460.db2.gz VQYRTRIYEVNXSY-UHFFFAOYSA-N 2 1 337.552 3.101 20 0 EGADMP CC(C)=CC[NH+](C)CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001753366313 1440385461 /nfs/dbraw/zinc/38/54/61/1440385461.db2.gz VQYRTRIYEVNXSY-UHFFFAOYSA-N 2 1 337.552 3.101 20 0 EGADMP CC(C)=CC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001753366313 1440385462 /nfs/dbraw/zinc/38/54/62/1440385462.db2.gz VQYRTRIYEVNXSY-UHFFFAOYSA-N 2 1 337.552 3.101 20 0 EGADMP CCCCCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001753377888 1440387336 /nfs/dbraw/zinc/38/73/36/1440387336.db2.gz OTIWNBQACSZADB-KRWDZBQOSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001753377888 1440387337 /nfs/dbraw/zinc/38/73/37/1440387337.db2.gz OTIWNBQACSZADB-KRWDZBQOSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[C@@H](C(=O)NC1C[NH+](CC2CCC(C)(C)CC2)C1)[NH+]1CCCC1 ZINC001753395829 1440390168 /nfs/dbraw/zinc/39/01/68/1440390168.db2.gz VSBGGBGAXWIMQM-IBGZPJMESA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C[NH2+]Cc2cc(C)cc(C)c2)CCCC1 ZINC001753510392 1440425736 /nfs/dbraw/zinc/42/57/36/1440425736.db2.gz SLAIGAUACMPQJE-UHFFFAOYSA-N 2 1 345.531 3.164 20 0 EGADMP CC[C@@H]([NH2+]CC1(NC(=O)C[N@@H+](C)C(C)C)CCCC1)c1ccccc1 ZINC001753511960 1440426239 /nfs/dbraw/zinc/42/62/39/1440426239.db2.gz PUQXTIJIQWJZSR-LJQANCHMSA-N 2 1 345.531 3.497 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+]Cc2ccccc2C)C1 ZINC001753559803 1440436736 /nfs/dbraw/zinc/43/67/36/1440436736.db2.gz NXUXCDJBZSSMLA-LJQANCHMSA-N 2 1 345.531 3.055 20 0 EGADMP CC(C)CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001753570537 1440438344 /nfs/dbraw/zinc/43/83/44/1440438344.db2.gz GZGHKXUZWVVGKA-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CC[C@H]([NH2+]CCCC2CCC2)CC1)C1CCC1 ZINC001753582542 1440440437 /nfs/dbraw/zinc/44/04/37/1440440437.db2.gz SBFPRVRCPYJBHT-IYARVYRRSA-N 2 1 335.536 3.068 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2C)CC1 ZINC001753587108 1440441709 /nfs/dbraw/zinc/44/17/09/1440441709.db2.gz NJFGWMRFZABEFB-GUDVDZBRSA-N 2 1 345.531 3.415 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001753612559 1440449268 /nfs/dbraw/zinc/44/92/68/1440449268.db2.gz HXAYCLFCWIWNPP-PKOBYXMFSA-N 2 1 337.552 3.172 20 0 EGADMP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC001753668009 1440460947 /nfs/dbraw/zinc/46/09/47/1440460947.db2.gz RBZWDYWUXNTLKD-RJCMGOLDSA-N 2 1 349.563 3.482 20 0 EGADMP CC(C)(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001753788930 1440488693 /nfs/dbraw/zinc/48/86/93/1440488693.db2.gz VTGTVWKQPRHFFN-NQIIRXRSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001753821239 1440496089 /nfs/dbraw/zinc/49/60/89/1440496089.db2.gz VIXKJDNNAPXQQU-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001753821239 1440496090 /nfs/dbraw/zinc/49/60/90/1440496090.db2.gz VIXKJDNNAPXQQU-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001753821239 1440496091 /nfs/dbraw/zinc/49/60/91/1440496091.db2.gz VIXKJDNNAPXQQU-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC1CCC(C[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001753859373 1440510763 /nfs/dbraw/zinc/51/07/63/1440510763.db2.gz MSEHTSZWIJCIDY-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@@H]21 ZINC001753879034 1440520225 /nfs/dbraw/zinc/52/02/25/1440520225.db2.gz ZQMKWDVHFPHUMM-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001754506164 1440616405 /nfs/dbraw/zinc/61/64/05/1440616405.db2.gz XOZMJPRJFKZXJV-RBUKOAKNSA-N 2 1 343.515 3.123 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001754515904 1440618553 /nfs/dbraw/zinc/61/85/53/1440618553.db2.gz GIPJRALBTJTBKO-ZWKOTPCHSA-N 2 1 343.515 3.169 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@]2(C1)CCC[NH+](C[C@H](C)CC)C2 ZINC001754557019 1440632114 /nfs/dbraw/zinc/63/21/14/1440632114.db2.gz AOQDRZLTWOOGCW-UYAOXDASSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@]2(C1)CCC[N@H+](C[C@H](C)CC)C2 ZINC001754557019 1440632115 /nfs/dbraw/zinc/63/21/15/1440632115.db2.gz AOQDRZLTWOOGCW-UYAOXDASSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](C[C@H](C)CC)C2 ZINC001754557019 1440632116 /nfs/dbraw/zinc/63/21/16/1440632116.db2.gz AOQDRZLTWOOGCW-UYAOXDASSA-N 2 1 337.552 3.079 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)C[C@@H]1C ZINC001754601953 1440642561 /nfs/dbraw/zinc/64/25/61/1440642561.db2.gz WWHIIGKZJVGZFE-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NC1(C)CC[NH+](CCC2=CCCCC2)CC1 ZINC001754627201 1440646611 /nfs/dbraw/zinc/64/66/11/1440646611.db2.gz FYHPQUXTPOAABA-UHFFFAOYSA-N 2 1 344.503 3.053 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@]1(C)CCC[NH+](CCC(C)(C)C)C1 ZINC001754727843 1440677164 /nfs/dbraw/zinc/67/71/64/1440677164.db2.gz OMZNUAJCCAEVBC-XLIONFOSSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@H+](CCC(C)(C)C)C1 ZINC001754727843 1440677165 /nfs/dbraw/zinc/67/71/65/1440677165.db2.gz OMZNUAJCCAEVBC-XLIONFOSSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CCC(C)(C)C)C1 ZINC001754727843 1440677166 /nfs/dbraw/zinc/67/71/66/1440677166.db2.gz OMZNUAJCCAEVBC-XLIONFOSSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001754727850 1440677223 /nfs/dbraw/zinc/67/72/23/1440677223.db2.gz OOFQMDAJZZOCEL-WHIUHWMMSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@](C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001754727850 1440677224 /nfs/dbraw/zinc/67/72/24/1440677224.db2.gz OOFQMDAJZZOCEL-WHIUHWMMSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@](C)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001754727850 1440677225 /nfs/dbraw/zinc/67/72/25/1440677225.db2.gz OOFQMDAJZZOCEL-WHIUHWMMSA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@@H+](CC2CCCCCC2)C1 ZINC001754729417 1440678267 /nfs/dbraw/zinc/67/82/67/1440678267.db2.gz JOIYHVKVWZIZQZ-FQEVSTJZSA-N 2 1 337.552 3.127 20 0 EGADMP CC/C=C\CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001754803001 1440690720 /nfs/dbraw/zinc/69/07/20/1440690720.db2.gz JBFOGXRIUWJDMP-XXCOWLKOSA-N 2 1 346.519 3.189 20 0 EGADMP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001754822818 1440693249 /nfs/dbraw/zinc/69/32/49/1440693249.db2.gz QDOYNVBBBZKXBG-FUHWJXTLSA-N 2 1 339.568 3.085 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001754866955 1440703172 /nfs/dbraw/zinc/70/31/72/1440703172.db2.gz GCCXKXHTRYMPRD-LWYYNNOASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001754866955 1440703173 /nfs/dbraw/zinc/70/31/73/1440703173.db2.gz GCCXKXHTRYMPRD-LWYYNNOASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001754866955 1440703174 /nfs/dbraw/zinc/70/31/74/1440703174.db2.gz GCCXKXHTRYMPRD-LWYYNNOASA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[N@@H+](C)Cc1ccccc1CNC(=O)C12CCC[NH+]1CCC2 ZINC001754946646 1440713281 /nfs/dbraw/zinc/71/32/81/1440713281.db2.gz QVOLGWWTJYHJGI-UHFFFAOYSA-N 2 1 343.515 3.163 20 0 EGADMP CC1CC(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CCC2)C1 ZINC001754981942 1440721514 /nfs/dbraw/zinc/72/15/14/1440721514.db2.gz MIFIPCIECZGMMI-TVPLGVNVSA-N 2 1 347.547 3.068 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1([NH2+]CC2CCCCCC2)CCC1 ZINC001754992597 1440724964 /nfs/dbraw/zinc/72/49/64/1440724964.db2.gz JGXYVOMVEFQCLC-HDICACEKSA-N 2 1 349.563 3.458 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001755026682 1440729054 /nfs/dbraw/zinc/72/90/54/1440729054.db2.gz UZIQUMUOZHCPBX-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001755026682 1440729055 /nfs/dbraw/zinc/72/90/55/1440729055.db2.gz UZIQUMUOZHCPBX-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001755026682 1440729056 /nfs/dbraw/zinc/72/90/56/1440729056.db2.gz UZIQUMUOZHCPBX-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001755029372 1440730558 /nfs/dbraw/zinc/73/05/58/1440730558.db2.gz WHBDSWMSOILBMG-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CN(CCC[N@@H+](C)CCC(C)(C)C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001755044332 1440739525 /nfs/dbraw/zinc/73/95/25/1440739525.db2.gz QDKGHJXWWCLFSB-ZWKOTPCHSA-N 2 1 339.568 3.323 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]CCC3CCCCC3)CC2)CC[N@H+]1C ZINC001755127575 1440756477 /nfs/dbraw/zinc/75/64/77/1440756477.db2.gz IADQXBPWYVXIAY-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001755161831 1440764952 /nfs/dbraw/zinc/76/49/52/1440764952.db2.gz NDXYWWFWAKXQLE-MSOLQXFVSA-N 2 1 335.536 3.164 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]2C)c(C)c1 ZINC001755165078 1440766545 /nfs/dbraw/zinc/76/65/45/1440766545.db2.gz DXRJLPZTCLZSAX-AZUAARDMSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C)c(C)c1 ZINC001755165078 1440766546 /nfs/dbraw/zinc/76/65/46/1440766546.db2.gz DXRJLPZTCLZSAX-AZUAARDMSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C)c(C)c1 ZINC001755165078 1440766547 /nfs/dbraw/zinc/76/65/47/1440766547.db2.gz DXRJLPZTCLZSAX-AZUAARDMSA-N 2 1 345.531 3.113 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1CC1CC(C)(C)C1 ZINC001755165639 1440766804 /nfs/dbraw/zinc/76/68/04/1440766804.db2.gz PEYZLAQLCACXDN-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCCC2CCCC2)[C@H](C)C1 ZINC001755166732 1440767619 /nfs/dbraw/zinc/76/76/19/1440767619.db2.gz FPXJIYWDGLGTTQ-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)[C@H](C)C1 ZINC001755166732 1440767620 /nfs/dbraw/zinc/76/76/20/1440767620.db2.gz FPXJIYWDGLGTTQ-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)[C@H](C)C1 ZINC001755166732 1440767621 /nfs/dbraw/zinc/76/76/21/1440767621.db2.gz FPXJIYWDGLGTTQ-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+](CCC3CC3)C2)CC1 ZINC001755205389 1440782125 /nfs/dbraw/zinc/78/21/25/1440782125.db2.gz RRVCNVOPSRKTAX-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC001755205389 1440782126 /nfs/dbraw/zinc/78/21/26/1440782126.db2.gz RRVCNVOPSRKTAX-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC001755205389 1440782127 /nfs/dbraw/zinc/78/21/27/1440782127.db2.gz RRVCNVOPSRKTAX-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001755282346 1440800876 /nfs/dbraw/zinc/80/08/76/1440800876.db2.gz OHZCODCEWDOMLI-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001755300673 1440808466 /nfs/dbraw/zinc/80/84/66/1440808466.db2.gz VOQLZVQHVGAMMW-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755300673 1440808467 /nfs/dbraw/zinc/80/84/67/1440808467.db2.gz VOQLZVQHVGAMMW-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755300673 1440808468 /nfs/dbraw/zinc/80/84/68/1440808468.db2.gz VOQLZVQHVGAMMW-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCC(C)(C)C ZINC001755302115 1440809128 /nfs/dbraw/zinc/80/91/28/1440809128.db2.gz ZHPSHCGNTOITII-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CCCC(C)(C)C ZINC001755302115 1440809129 /nfs/dbraw/zinc/80/91/29/1440809129.db2.gz ZHPSHCGNTOITII-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CCCC(C)(C)C ZINC001755302115 1440809130 /nfs/dbraw/zinc/80/91/30/1440809130.db2.gz ZHPSHCGNTOITII-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@@H+](C)CCC(C)(C)C ZINC001755319569 1440817653 /nfs/dbraw/zinc/81/76/53/1440817653.db2.gz JAXKKXORONEMEY-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[NH+](CC2CC3(CCC3)C2)CC1(C)C ZINC001755415265 1440848271 /nfs/dbraw/zinc/84/82/71/1440848271.db2.gz HHYSZDNJQWJTDD-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[N@H+](CC2CC3(CCC3)C2)CC1(C)C ZINC001755415265 1440848272 /nfs/dbraw/zinc/84/82/72/1440848272.db2.gz HHYSZDNJQWJTDD-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[N@@H+](CC2CC3(CCC3)C2)CC1(C)C ZINC001755415265 1440848273 /nfs/dbraw/zinc/84/82/73/1440848273.db2.gz HHYSZDNJQWJTDD-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]2C1 ZINC001755453592 1440854506 /nfs/dbraw/zinc/85/45/06/1440854506.db2.gz QOAPFQXWGSFSOD-VAMGGRTRSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001755535508 1440869282 /nfs/dbraw/zinc/86/92/82/1440869282.db2.gz KPFABFNSFRLRKZ-SFHVURJKSA-N 2 1 345.531 3.402 20 0 EGADMP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755588262 1440880891 /nfs/dbraw/zinc/88/08/91/1440880891.db2.gz VNZFTNUKYFTXGN-QZTJIDSGSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH2+]CC1=CCCCC1 ZINC001755590665 1440881391 /nfs/dbraw/zinc/88/13/91/1440881391.db2.gz PQYPLDJIESBLDT-XLIONFOSSA-N 2 1 347.547 3.330 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001755701548 1440900433 /nfs/dbraw/zinc/90/04/33/1440900433.db2.gz QBHPZJGVRRJSFD-DSKINZAPSA-N 2 1 343.515 3.121 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCCCC3)[C@@H]2C1 ZINC001755707942 1440903001 /nfs/dbraw/zinc/90/30/01/1440903001.db2.gz KNTCNLGEZWIQNC-ZCNNSNEGSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C(C)(C)C1 ZINC001755765458 1440916082 /nfs/dbraw/zinc/91/60/82/1440916082.db2.gz PMAMHVGAMYXWGL-PKOBYXMFSA-N 2 1 345.531 3.306 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001755826303 1440927357 /nfs/dbraw/zinc/92/73/57/1440927357.db2.gz ODTQBNGZXRZQBS-ROUUACIJSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH2+][C@H]1CCc2ccccc21)C(C)(C)C ZINC001755836362 1440930329 /nfs/dbraw/zinc/93/03/29/1440930329.db2.gz SDAUCSAROSXJMF-OALUTQOASA-N 2 1 345.531 3.136 20 0 EGADMP CCCC[NH2+]C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC001755839354 1440931290 /nfs/dbraw/zinc/93/12/90/1440931290.db2.gz KQKFHWPVVDBXAS-MSOLQXFVSA-N 2 1 333.520 3.210 20 0 EGADMP C[N@@H+](Cc1ccc(N2CCCC[C@H]2C2CC[NH2+]CC2)nc1)C1CC1 ZINC001164419780 718893080 /nfs/dbraw/zinc/89/30/80/718893080.db2.gz RBKJAYNRRVERIJ-IBGZPJMESA-N 2 1 328.504 3.034 20 0 EGADMP CC[C@@H](C)CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000368991737 168388819 /nfs/dbraw/zinc/38/88/19/168388819.db2.gz UWJDYFPHBMWGIZ-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP CCc1cnc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000130411279 529653837 /nfs/dbraw/zinc/65/38/37/529653837.db2.gz PTJJPYFFDMAZGL-CQSZACIVSA-N 2 1 333.501 3.497 20 0 EGADMP Cc1nc(C)c([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)s1 ZINC000178322053 232136415 /nfs/dbraw/zinc/13/64/15/232136415.db2.gz KKINNYCHXJPSIT-ZDUSSCGKSA-N 2 1 345.516 3.486 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000181250077 234131964 /nfs/dbraw/zinc/13/19/64/234131964.db2.gz JCGUMFGZXSQZQG-MMQJMDILSA-N 2 1 339.886 3.376 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000264420089 283188025 /nfs/dbraw/zinc/18/80/25/283188025.db2.gz IMYXFTRJFGHUBS-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000130797169 223177394 /nfs/dbraw/zinc/17/73/94/223177394.db2.gz XFOHRDUKTXTETQ-INIZCTEOSA-N 2 1 328.460 3.157 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000130797169 223177395 /nfs/dbraw/zinc/17/73/95/223177395.db2.gz XFOHRDUKTXTETQ-INIZCTEOSA-N 2 1 328.460 3.157 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1c(C)cccc1Cl ZINC000130653937 223167065 /nfs/dbraw/zinc/16/70/65/223167065.db2.gz BXOWWPYQPOZZDF-UHFFFAOYSA-N 2 1 334.851 3.114 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1c(C)cccc1Cl ZINC000130653937 223167067 /nfs/dbraw/zinc/16/70/67/223167067.db2.gz BXOWWPYQPOZZDF-UHFFFAOYSA-N 2 1 334.851 3.114 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000072803549 216307979 /nfs/dbraw/zinc/30/79/79/216307979.db2.gz ZJWSZZFRMLJGOB-OAHLLOKOSA-N 2 1 337.895 3.332 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2c(Cl)oc3ccccc32)CC1 ZINC000677748662 549326272 /nfs/dbraw/zinc/32/62/72/549326272.db2.gz CFQIBJMSZINAPS-UHFFFAOYSA-N 2 1 335.879 3.203 20 0 EGADMP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000376320907 242064759 /nfs/dbraw/zinc/06/47/59/242064759.db2.gz XFSGQUITUPABOP-BSWAZPDLSA-N 2 1 344.421 3.188 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(F)cc3Br)C[C@@H]21 ZINC000230047670 242224827 /nfs/dbraw/zinc/22/48/27/242224827.db2.gz BGMJKPVFTDEEDV-RIEGTJTDSA-N 2 1 327.241 3.147 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)cc3Br)C[C@@H]21 ZINC000230047670 242224833 /nfs/dbraw/zinc/22/48/33/242224833.db2.gz BGMJKPVFTDEEDV-RIEGTJTDSA-N 2 1 327.241 3.147 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000236655771 242308149 /nfs/dbraw/zinc/30/81/49/242308149.db2.gz UVHZRNRBTCELFA-VDGAXYAQSA-N 2 1 343.515 3.064 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000348383860 299391497 /nfs/dbraw/zinc/39/14/97/299391497.db2.gz UEJLTTQHSJZUAQ-DSJMHWKBSA-N 2 1 334.426 3.339 20 0 EGADMP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000262608985 245063178 /nfs/dbraw/zinc/06/31/78/245063178.db2.gz BKPBGFBVMOOKPK-HBFSDRIKSA-N 2 1 343.515 3.108 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CCCCCC[NH3+] ZINC000262678422 245116273 /nfs/dbraw/zinc/11/62/73/245116273.db2.gz UXWBIDRIYCKXDV-WGMWDUQUSA-N 2 1 345.531 3.168 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000266131143 248119004 /nfs/dbraw/zinc/11/90/04/248119004.db2.gz RGMPIQOJNGKLBT-ZDUSSCGKSA-N 2 1 341.293 3.211 20 0 EGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000266460035 248311762 /nfs/dbraw/zinc/31/17/62/248311762.db2.gz ZIEZDFCMGYYOSN-LJQANCHMSA-N 2 1 343.515 3.086 20 0 EGADMP C[N@@H+](CC(C)(C)c1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626830 169050968 /nfs/dbraw/zinc/05/09/68/169050968.db2.gz MXYWXGYSHISTAS-FQEVSTJZSA-N 2 1 329.532 3.065 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCOC2CCOCC2)cc1 ZINC000090082878 217914710 /nfs/dbraw/zinc/91/47/10/217914710.db2.gz NWYRLAPOPQFYJU-MRXNPFEDSA-N 2 1 343.471 3.417 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C(C)C)C(C)C ZINC000360970207 284728165 /nfs/dbraw/zinc/72/81/65/284728165.db2.gz YSPSEBLXILAEPL-MSOLQXFVSA-N 2 1 325.541 3.122 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2cccnc2)CC1 ZINC000092739570 218163438 /nfs/dbraw/zinc/16/34/38/218163438.db2.gz MRYPBLSMQDWPRU-SFHVURJKSA-N 2 1 338.499 3.070 20 0 EGADMP C[N@H+](Cc1ccccc1OCc1ccccn1)CC1CC[NH+](C)CC1 ZINC000093088921 218192946 /nfs/dbraw/zinc/19/29/46/218192946.db2.gz GARXAUDTNGDKAQ-UHFFFAOYSA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268757300 252206943 /nfs/dbraw/zinc/20/69/43/252206943.db2.gz YLYDCHFMVYJDMH-ZDUSSCGKSA-N 2 1 348.459 3.065 20 0 EGADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000268789872 252240323 /nfs/dbraw/zinc/24/03/23/252240323.db2.gz XIQJMEDWPHWPQL-KXBFYZLASA-N 2 1 329.513 3.494 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(SC(F)F)cc1 ZINC000268847655 252296069 /nfs/dbraw/zinc/29/60/69/252296069.db2.gz OWGIAIZWAWMWNE-TZMCWYRMSA-N 2 1 330.444 3.109 20 0 EGADMP CCCOc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000268862031 252310696 /nfs/dbraw/zinc/31/06/96/252310696.db2.gz DWZRIZIWDGUKAY-PKOBYXMFSA-N 2 1 334.504 3.363 20 0 EGADMP C[C@@H]1CCC[C@](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)([NH+](C)C)C1 ZINC000298257538 132387897 /nfs/dbraw/zinc/38/78/97/132387897.db2.gz FEMFSMOYFAKSAX-XLIONFOSSA-N 3 1 330.520 3.151 20 0 EGADMP C[N@@H+](Cc1cccc2ccccc21)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801421 549333539 /nfs/dbraw/zinc/33/35/39/549333539.db2.gz PQCMVNLMGNBVTB-OAQYLSRUSA-N 2 1 337.511 3.440 20 0 EGADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000358009173 141378818 /nfs/dbraw/zinc/37/88/18/141378818.db2.gz CKEVHSPDTNYPKM-UZLBHIALSA-N 2 1 326.488 3.043 20 0 EGADMP C[C@H](NCCC[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000178409875 144071039 /nfs/dbraw/zinc/07/10/39/144071039.db2.gz QMZZFEPNIRHQFN-SFHVURJKSA-N 2 1 333.520 3.154 20 0 EGADMP C[C@@H]1C[C@H](NCc2ccccc2OCc2cccnc2)CC[N@H+]1C ZINC000344624507 144201160 /nfs/dbraw/zinc/20/11/60/144201160.db2.gz IXUGBKKYTPRGDI-VQIMIIECSA-N 2 1 325.456 3.233 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCc2cccnc2)CCN1C ZINC000344624507 144201162 /nfs/dbraw/zinc/20/11/62/144201162.db2.gz IXUGBKKYTPRGDI-VQIMIIECSA-N 2 1 325.456 3.233 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccccc2Cl)CC[N@H+]1C ZINC000344635442 144203010 /nfs/dbraw/zinc/20/30/10/144203010.db2.gz TUCSLOYINCWCRH-ZFWWWQNUSA-N 2 1 332.879 3.313 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)CC[N@H+]1C ZINC000344686441 144209714 /nfs/dbraw/zinc/20/97/14/144209714.db2.gz RRHNEGWHFVEPJI-SJLPKXTDSA-N 2 1 325.456 3.233 20 0 EGADMP COc1sc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1Br ZINC000347032898 144251365 /nfs/dbraw/zinc/25/13/65/144251365.db2.gz BJWUADPDXQPYAV-SECBINFHSA-N 2 1 333.295 3.078 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000351861474 144317022 /nfs/dbraw/zinc/31/70/22/144317022.db2.gz LPUVFGQYQKKCDC-DGCLKSJQSA-N 2 1 334.261 3.166 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000351861474 144317024 /nfs/dbraw/zinc/31/70/24/144317024.db2.gz LPUVFGQYQKKCDC-DGCLKSJQSA-N 2 1 334.261 3.166 20 0 EGADMP Cc1cnc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n1C ZINC000341096520 155155771 /nfs/dbraw/zinc/15/57/71/155155771.db2.gz VXQWUQSSXYKCPK-MRXNPFEDSA-N 2 1 326.488 3.250 20 0 EGADMP Cc1cnc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)n1C ZINC000341096520 155155773 /nfs/dbraw/zinc/15/57/73/155155773.db2.gz VXQWUQSSXYKCPK-MRXNPFEDSA-N 2 1 326.488 3.250 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000677819924 549337940 /nfs/dbraw/zinc/33/79/40/549337940.db2.gz DFMKYBABOYUNFI-QWRGUYRKSA-N 2 1 329.288 3.254 20 0 EGADMP COc1ccc(C2(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)CCOCC2)cc1 ZINC000247142852 286296755 /nfs/dbraw/zinc/29/67/55/286296755.db2.gz SJFQEXNMMIYOND-ABSDTBQOSA-N 2 1 346.515 3.062 20 0 EGADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000122042082 152387249 /nfs/dbraw/zinc/38/72/49/152387249.db2.gz WVCDOARFUVKKQU-UHFFFAOYSA-N 2 1 325.522 3.022 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000122042082 152387253 /nfs/dbraw/zinc/38/72/53/152387253.db2.gz WVCDOARFUVKKQU-UHFFFAOYSA-N 2 1 325.522 3.022 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000190772359 153159538 /nfs/dbraw/zinc/15/95/38/153159538.db2.gz IZANXYLYBLWVLU-SFHVURJKSA-N 2 1 326.488 3.474 20 0 EGADMP Cc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+]2CCCC2)cc1 ZINC000192782237 153260565 /nfs/dbraw/zinc/26/05/65/153260565.db2.gz RYFPRUDEXXHCEL-VTHDOGFWSA-N 2 1 327.516 3.347 20 0 EGADMP COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)[NH+]2CCCCC2)cc1 ZINC000154200951 286373284 /nfs/dbraw/zinc/37/32/84/286373284.db2.gz HAQUEIXPUHVVKD-QFUCXCTJSA-N 2 1 345.531 3.295 20 0 EGADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000310103381 154139373 /nfs/dbraw/zinc/13/93/73/154139373.db2.gz YWUCPJIMLIOSSJ-ULQDDVLXSA-N 2 1 342.405 3.208 20 0 EGADMP C[C@]1(C[NH2+]Cc2cnn(CC(F)F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000310971108 154144928 /nfs/dbraw/zinc/14/49/28/154144928.db2.gz DGPFFQFLGUSDIW-LJQANCHMSA-N 2 1 348.441 3.150 20 0 EGADMP C[C@]1(C[NH2+]Cc2cnn(CC(F)F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310971108 154144932 /nfs/dbraw/zinc/14/49/32/154144932.db2.gz DGPFFQFLGUSDIW-LJQANCHMSA-N 2 1 348.441 3.150 20 0 EGADMP COc1ccccc1C[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594854 286497905 /nfs/dbraw/zinc/49/79/05/286497905.db2.gz FRIDZCKOFYFGEI-GOSISDBHSA-N 2 1 346.515 3.251 20 0 EGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OCC ZINC000346838929 156160956 /nfs/dbraw/zinc/16/09/56/156160956.db2.gz XWTXIILRHUTFLM-OKZBNKHCSA-N 2 1 332.488 3.433 20 0 EGADMP CCCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000346849017 156162103 /nfs/dbraw/zinc/16/21/03/156162103.db2.gz GFHOXCSVAYFJQC-OKZBNKHCSA-N 2 1 332.488 3.433 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000347003936 156240656 /nfs/dbraw/zinc/24/06/56/156240656.db2.gz ADNOFTRYDIUPCV-SJORKVTESA-N 2 1 325.456 3.220 20 0 EGADMP Cc1cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc2cccnc12 ZINC000349033462 156325187 /nfs/dbraw/zinc/32/51/87/156325187.db2.gz MVQOCZASASZEDD-UHFFFAOYSA-N 2 1 340.515 3.001 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000349086152 156348600 /nfs/dbraw/zinc/34/86/00/156348600.db2.gz BBYDUOLTOZXZNU-FQEVSTJZSA-N 2 1 343.515 3.163 20 0 EGADMP C[C@@H]1C[C@@H](C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000352625000 156386485 /nfs/dbraw/zinc/38/64/85/156386485.db2.gz ACLMCWCFWJJBGJ-XSYGEPLQSA-N 2 1 338.536 3.013 20 0 EGADMP CN(c1ccccc1C[N@H+](C)Cc1ccoc1)C1CC[NH+](C)CC1 ZINC000352650551 156398911 /nfs/dbraw/zinc/39/89/11/156398911.db2.gz YRRIHXOGCQGEIJ-UHFFFAOYSA-N 2 1 327.472 3.442 20 0 EGADMP CN(c1ccccc1C[N@@H+](C)Cc1ccoc1)C1CC[NH+](C)CC1 ZINC000352650551 156398916 /nfs/dbraw/zinc/39/89/16/156398916.db2.gz YRRIHXOGCQGEIJ-UHFFFAOYSA-N 2 1 327.472 3.442 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000365404138 157115325 /nfs/dbraw/zinc/11/53/25/157115325.db2.gz OTLNLBYAFLRTBM-QGZVFWFLSA-N 2 1 339.524 3.050 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@H](C)C1 ZINC000125465633 162273757 /nfs/dbraw/zinc/27/37/57/162273757.db2.gz VYQPNRQNOZBJID-APWZRJJASA-N 3 1 335.561 3.280 20 0 EGADMP CCN1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@H](C)C1 ZINC000125465633 162273759 /nfs/dbraw/zinc/27/37/59/162273759.db2.gz VYQPNRQNOZBJID-APWZRJJASA-N 2 1 335.561 3.280 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(F)cc(F)c1 ZINC000248434015 163005048 /nfs/dbraw/zinc/00/50/48/163005048.db2.gz DQDLRPHKEMAFQD-JLTOFOAXSA-N 2 1 346.421 3.382 20 0 EGADMP Cc1cc(=O)[nH]c([C@@H](C)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000248771740 163034081 /nfs/dbraw/zinc/03/40/81/163034081.db2.gz SUIGKKZXDXTWQI-SJLPKXTDSA-N 2 1 340.471 3.006 20 0 EGADMP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1)C(C)C ZINC000354305543 166000367 /nfs/dbraw/zinc/00/03/67/166000367.db2.gz ZPCAQIHSLPSIKS-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1)C(C)C ZINC000354305543 166000369 /nfs/dbraw/zinc/00/03/69/166000369.db2.gz ZPCAQIHSLPSIKS-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C(C)C ZINC000354305543 166000371 /nfs/dbraw/zinc/00/03/71/166000371.db2.gz ZPCAQIHSLPSIKS-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C(C)C ZINC000354305543 166000372 /nfs/dbraw/zinc/00/03/72/166000372.db2.gz ZPCAQIHSLPSIKS-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP Cc1ccc(CCC[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000354350631 166007293 /nfs/dbraw/zinc/00/72/93/166007293.db2.gz FZVSGHIGJMSYEU-QFIPXVFZSA-N 2 1 337.511 3.477 20 0 EGADMP O[C@]1(C[NH2+]C(C2CCC2)C2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000338781649 163347660 /nfs/dbraw/zinc/34/76/60/163347660.db2.gz PYURJCQEXHPBTE-NRFANRHFSA-N 2 1 328.500 3.182 20 0 EGADMP O[C@]1(C[NH2+]C(C2CCC2)C2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000338781649 163347661 /nfs/dbraw/zinc/34/76/61/163347661.db2.gz PYURJCQEXHPBTE-NRFANRHFSA-N 2 1 328.500 3.182 20 0 EGADMP CCN1CCC([N@@H+](C)Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000338923661 163387665 /nfs/dbraw/zinc/38/76/65/163387665.db2.gz YHCTYYURZMCJRZ-UHFFFAOYSA-N 2 1 326.488 3.312 20 0 EGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000338923661 163387667 /nfs/dbraw/zinc/38/76/67/163387667.db2.gz YHCTYYURZMCJRZ-UHFFFAOYSA-N 2 1 326.488 3.312 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000338923661 163387670 /nfs/dbraw/zinc/38/76/70/163387670.db2.gz YHCTYYURZMCJRZ-UHFFFAOYSA-N 2 1 326.488 3.312 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CCC[NH+]2CCCC2)cc1)C1CC1 ZINC000343751895 164026243 /nfs/dbraw/zinc/02/62/43/164026243.db2.gz TUBCSBJTPMVZDO-UHFFFAOYSA-N 2 1 343.515 3.229 20 0 EGADMP CCCC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1 ZINC000343988167 164077703 /nfs/dbraw/zinc/07/77/03/164077703.db2.gz YMDODIJGTRSVLD-FQEVSTJZSA-N 2 1 345.531 3.450 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CCCCS3)sc2C1 ZINC000344353106 164162580 /nfs/dbraw/zinc/16/25/80/164162580.db2.gz JDCURXJRZUYDBP-ZDUSSCGKSA-N 2 1 325.547 3.285 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CCCCS3)sc2C1 ZINC000344353106 164162582 /nfs/dbraw/zinc/16/25/82/164162582.db2.gz JDCURXJRZUYDBP-ZDUSSCGKSA-N 2 1 325.547 3.285 20 0 EGADMP CCN(CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)CC(F)(F)F ZINC000354862957 166050260 /nfs/dbraw/zinc/05/02/60/166050260.db2.gz XOBLJWNYEBMJJF-INIZCTEOSA-N 2 1 335.458 3.069 20 0 EGADMP COCc1cnc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000350262830 165023673 /nfs/dbraw/zinc/02/36/73/165023673.db2.gz IYERBQQWWVLQNP-UHFFFAOYSA-N 2 1 346.500 3.033 20 0 EGADMP CCn1nc(C)c(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000350317575 165029633 /nfs/dbraw/zinc/02/96/33/165029633.db2.gz MDBRNGUJHKPTPD-UHFFFAOYSA-N 2 1 341.503 3.263 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000350328048 165031792 /nfs/dbraw/zinc/03/17/92/165031792.db2.gz MDKYZTALJSAMTR-QGZVFWFLSA-N 2 1 349.500 3.336 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000350328048 165031795 /nfs/dbraw/zinc/03/17/95/165031795.db2.gz MDKYZTALJSAMTR-QGZVFWFLSA-N 2 1 349.500 3.336 20 0 EGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000355121368 166112100 /nfs/dbraw/zinc/11/21/00/166112100.db2.gz IFGDIEHYCLVWHS-ACRUOGEOSA-N 2 1 346.515 3.072 20 0 EGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000355121368 166112103 /nfs/dbraw/zinc/11/21/03/166112103.db2.gz IFGDIEHYCLVWHS-ACRUOGEOSA-N 2 1 346.515 3.072 20 0 EGADMP CC[C@@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000355791180 166310630 /nfs/dbraw/zinc/31/06/30/166310630.db2.gz IBXBBEZBIMGUFN-QUCCMNQESA-N 2 1 345.531 3.278 20 0 EGADMP CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000359582746 167199364 /nfs/dbraw/zinc/19/93/64/167199364.db2.gz GYAANXZNIUZLNX-MAUKXSAKSA-N 2 1 332.492 3.351 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000359582746 167199367 /nfs/dbraw/zinc/19/93/67/167199367.db2.gz GYAANXZNIUZLNX-MAUKXSAKSA-N 2 1 332.492 3.351 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000360616388 167370911 /nfs/dbraw/zinc/37/09/11/167370911.db2.gz UNBQWPDDXLNEIE-GJZGRUSLSA-N 2 1 325.460 3.315 20 0 EGADMP C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000360717870 167396533 /nfs/dbraw/zinc/39/65/33/167396533.db2.gz KDSAZJGEIXQYGR-CVEARBPZSA-N 2 1 348.560 3.355 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000366836503 168146661 /nfs/dbraw/zinc/14/66/61/168146661.db2.gz NITUJYBEBXYOGR-CRAIPNDOSA-N 2 1 337.458 3.082 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000366836503 168146663 /nfs/dbraw/zinc/14/66/63/168146663.db2.gz NITUJYBEBXYOGR-CRAIPNDOSA-N 2 1 337.458 3.082 20 0 EGADMP COCCOc1cccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000366956849 168161599 /nfs/dbraw/zinc/16/15/99/168161599.db2.gz WYJXFSHMXBWXIE-UHFFFAOYSA-N 2 1 332.488 3.020 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2csc3ccccc23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367029287 168170346 /nfs/dbraw/zinc/17/03/46/168170346.db2.gz LMVFKBVVQPEUNG-VQIMIIECSA-N 2 1 343.540 3.359 20 0 EGADMP C[C@H](NCc1cnc2n1CCCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367436617 168225149 /nfs/dbraw/zinc/22/51/49/168225149.db2.gz GNRYQWPDGKTMBY-HKUYNNGSSA-N 3 1 338.499 3.220 20 0 EGADMP C[C@H]([NH2+]Cc1cnc2n1CCCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367436617 168225152 /nfs/dbraw/zinc/22/51/52/168225152.db2.gz GNRYQWPDGKTMBY-HKUYNNGSSA-N 3 1 338.499 3.220 20 0 EGADMP C[C@H]([NH2+]Cc1cnc2n1CCCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367436617 168225154 /nfs/dbraw/zinc/22/51/54/168225154.db2.gz GNRYQWPDGKTMBY-HKUYNNGSSA-N 2 1 338.499 3.220 20 0 EGADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000367894709 168281490 /nfs/dbraw/zinc/28/14/90/168281490.db2.gz FNLCLYNGMYBEJH-BPUTZDHNSA-N 2 1 334.426 3.483 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000159044939 225134223 /nfs/dbraw/zinc/13/42/23/225134223.db2.gz WACHEAPHIDEJJR-QGZVFWFLSA-N 2 1 338.492 3.453 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000159047424 225135214 /nfs/dbraw/zinc/13/52/14/225135214.db2.gz LDNRKDYWSCYUGG-DEYYWGMASA-N 2 1 330.476 3.104 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000159047424 225135219 /nfs/dbraw/zinc/13/52/19/225135219.db2.gz LDNRKDYWSCYUGG-DEYYWGMASA-N 2 1 330.476 3.104 20 0 EGADMP COCCC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000122992506 222196256 /nfs/dbraw/zinc/19/62/56/222196256.db2.gz QOAQINSNQXBFOW-UHFFFAOYSA-N 2 1 330.516 3.490 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC[N@H+]1C ZINC000123407391 222272956 /nfs/dbraw/zinc/27/29/56/222272956.db2.gz LNKPSNUFJLEIOI-NJAFHUGGSA-N 2 1 347.503 3.325 20 0 EGADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177247903 265243574 /nfs/dbraw/zinc/24/35/74/265243574.db2.gz QOJSJFDDERFDNG-JKSUJKDBSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177247903 265243579 /nfs/dbraw/zinc/24/35/79/265243579.db2.gz QOJSJFDDERFDNG-JKSUJKDBSA-N 2 1 339.524 3.096 20 0 EGADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cnn1C(C)C ZINC000191383586 265901426 /nfs/dbraw/zinc/90/14/26/265901426.db2.gz NSSVGFAWKNQNLV-YSSFQJQWSA-N 2 1 348.535 3.191 20 0 EGADMP CC(C)C[N@@H+]1CCO[C@H](CNCc2ccc(-c3ccccc3)o2)C1 ZINC000236799582 266215594 /nfs/dbraw/zinc/21/55/94/266215594.db2.gz GKZOTFZDSGSWBI-LJQANCHMSA-N 2 1 328.456 3.393 20 0 EGADMP CC(C)C[N@H+]1CCO[C@H](CNCc2ccc(-c3ccccc3)o2)C1 ZINC000236799582 266215598 /nfs/dbraw/zinc/21/55/98/266215598.db2.gz GKZOTFZDSGSWBI-LJQANCHMSA-N 2 1 328.456 3.393 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000236876913 266218021 /nfs/dbraw/zinc/21/80/21/266218021.db2.gz FHJOWQVQEBFLNY-MOPGFXCFSA-N 2 1 331.504 3.052 20 0 EGADMP C[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1 ZINC000237403228 266233328 /nfs/dbraw/zinc/23/33/28/266233328.db2.gz HBTLLRZHITYAGM-IBGZPJMESA-N 2 1 337.511 3.327 20 0 EGADMP CC(C)N(C)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000245478294 266259208 /nfs/dbraw/zinc/25/92/08/266259208.db2.gz VFXUMMAPNKKEKF-ZWKOTPCHSA-N 2 1 345.531 3.406 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000250121757 266262291 /nfs/dbraw/zinc/26/22/91/266262291.db2.gz VKOYWZVIPGRYMP-RMVXJAJNSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000250121757 266262294 /nfs/dbraw/zinc/26/22/94/266262294.db2.gz VKOYWZVIPGRYMP-RMVXJAJNSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000250121757 266262295 /nfs/dbraw/zinc/26/22/95/266262295.db2.gz VKOYWZVIPGRYMP-RMVXJAJNSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000250121757 266262297 /nfs/dbraw/zinc/26/22/97/266262297.db2.gz VKOYWZVIPGRYMP-RMVXJAJNSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000250121757 266262300 /nfs/dbraw/zinc/26/23/00/266262300.db2.gz VKOYWZVIPGRYMP-RMVXJAJNSA-N 2 1 329.532 3.359 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000268881093 266284315 /nfs/dbraw/zinc/28/43/15/266284315.db2.gz RLIFSJXVGHRZLO-UHFFFAOYSA-N 2 1 346.906 3.489 20 0 EGADMP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274779564 267286663 /nfs/dbraw/zinc/28/66/63/267286663.db2.gz OSRDNQDHSJNOPU-OSTWSGHESA-N 2 1 340.511 3.444 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)c1ccc(F)cc1Cl ZINC000274828177 267293931 /nfs/dbraw/zinc/29/39/31/267293931.db2.gz LILWDWFGKFSTKL-INIZCTEOSA-N 2 1 325.815 3.040 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)c1ccc(F)cc1Cl ZINC000274828177 267293934 /nfs/dbraw/zinc/29/39/34/267293934.db2.gz LILWDWFGKFSTKL-INIZCTEOSA-N 2 1 325.815 3.040 20 0 EGADMP C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274884341 267301988 /nfs/dbraw/zinc/30/19/88/267301988.db2.gz IBLPTXFZOZWVSS-QRFRQXIXSA-N 2 1 344.524 3.456 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274919814 267307015 /nfs/dbraw/zinc/30/70/15/267307015.db2.gz LCZGOXBSLBJECS-YQVWRLOYSA-N 2 1 345.531 3.180 20 0 EGADMP C[C@H]([NH2+]C[C@](C)(O)c1cccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274928853 267307735 /nfs/dbraw/zinc/30/77/35/267307735.db2.gz QNJYOSUNYDPKPG-QRFRQXIXSA-N 2 1 344.524 3.456 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000237506976 274388478 /nfs/dbraw/zinc/38/84/78/274388478.db2.gz ILENKOHPWXBYAH-MJGOQNOKSA-N 2 1 331.504 3.065 20 0 EGADMP O[C@H](C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)C[NH+]1CCCC1 ZINC000305121060 275058256 /nfs/dbraw/zinc/05/82/56/275058256.db2.gz JOLZDCHSBHIBOL-ABAIWWIYSA-N 2 1 329.271 3.027 20 0 EGADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1nc(-c2ccccc2)no1 ZINC000090911636 275153464 /nfs/dbraw/zinc/15/34/64/275153464.db2.gz HXTNYHYQTLHDPK-KCYZZUKISA-N 2 1 328.460 3.158 20 0 EGADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1nc(-c2ccccc2)no1 ZINC000090911637 275153593 /nfs/dbraw/zinc/15/35/93/275153593.db2.gz HXTNYHYQTLHDPK-PNBKFKSVSA-N 2 1 328.460 3.158 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N(C)CC[NH+](C)C1CCCCC1)c1ccccc1 ZINC000110964231 275181894 /nfs/dbraw/zinc/18/18/94/275181894.db2.gz DAINYNKQYGAIIH-HXUWFJFHSA-N 2 1 345.531 3.402 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000110964231 275181895 /nfs/dbraw/zinc/18/18/95/275181895.db2.gz DAINYNKQYGAIIH-HXUWFJFHSA-N 2 1 345.531 3.402 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000110964231 275181896 /nfs/dbraw/zinc/18/18/96/275181896.db2.gz DAINYNKQYGAIIH-HXUWFJFHSA-N 2 1 345.531 3.402 20 0 EGADMP COC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[C@H]1CCCO1 ZINC000278647388 275262191 /nfs/dbraw/zinc/26/21/91/275262191.db2.gz DSAQZHPJVNQMND-MDASCCDHSA-N 2 1 329.444 3.025 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)cc1 ZINC000279511833 275336301 /nfs/dbraw/zinc/33/63/01/275336301.db2.gz NROZWIRFGSTSJL-OAHLLOKOSA-N 2 1 336.439 3.039 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](c2ccccc2)C(C)C)CC1 ZINC000279797104 275360403 /nfs/dbraw/zinc/36/04/03/275360403.db2.gz DHKBXUSSKSCELA-OAQYLSRUSA-N 2 1 331.548 3.434 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000287607564 276139159 /nfs/dbraw/zinc/13/91/59/276139159.db2.gz SHFOZKRZCQCPSI-PVXIVEMSSA-N 2 1 331.287 3.489 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000287607564 276139160 /nfs/dbraw/zinc/13/91/60/276139160.db2.gz SHFOZKRZCQCPSI-PVXIVEMSSA-N 2 1 331.287 3.489 20 0 EGADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000287691662 276148033 /nfs/dbraw/zinc/14/80/33/276148033.db2.gz NDWIGXBNWIDSNH-SJORKVTESA-N 2 1 342.405 3.134 20 0 EGADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000287691662 276148034 /nfs/dbraw/zinc/14/80/34/276148034.db2.gz NDWIGXBNWIDSNH-SJORKVTESA-N 2 1 342.405 3.134 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000343544646 276201515 /nfs/dbraw/zinc/20/15/15/276201515.db2.gz YMHWXSQGKLFDMF-HKUYNNGSSA-N 2 1 333.907 3.039 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC000362646661 276337933 /nfs/dbraw/zinc/33/79/33/276337933.db2.gz QAQVRQVYNZEMSA-ICSRJNTNSA-N 2 1 345.531 3.164 20 0 EGADMP CN(Cc1ccnn1-c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289580638 276361075 /nfs/dbraw/zinc/36/10/75/276361075.db2.gz JYTQQOQUMFRDIF-JJTKIYQPSA-N 2 1 328.435 3.068 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000289685758 276378250 /nfs/dbraw/zinc/37/82/50/276378250.db2.gz ZQCVHJPQEKPVCL-IRXDYDNUSA-N 2 1 342.405 3.201 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000289685758 276378252 /nfs/dbraw/zinc/37/82/52/276378252.db2.gz ZQCVHJPQEKPVCL-IRXDYDNUSA-N 2 1 342.405 3.201 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000289685736 276378261 /nfs/dbraw/zinc/37/82/61/276378261.db2.gz ZQCVHJPQEKPVCL-DLBZAZTESA-N 2 1 342.405 3.201 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000289685736 276378262 /nfs/dbraw/zinc/37/82/62/276378262.db2.gz ZQCVHJPQEKPVCL-DLBZAZTESA-N 2 1 342.405 3.201 20 0 EGADMP COC(=O)CCCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000289707155 276381336 /nfs/dbraw/zinc/38/13/36/276381336.db2.gz GLPOVBUCFKJQQK-SLFFLAALSA-N 2 1 344.499 3.220 20 0 EGADMP C[N@H+](CCCO)C1CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000289778655 276392840 /nfs/dbraw/zinc/39/28/40/276392840.db2.gz KTSWXMVVLKZIBA-UHFFFAOYSA-N 2 1 349.906 3.073 20 0 EGADMP C[N@@H+](CCCO)C1CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000289778655 276392841 /nfs/dbraw/zinc/39/28/41/276392841.db2.gz KTSWXMVVLKZIBA-UHFFFAOYSA-N 2 1 349.906 3.073 20 0 EGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Br)nc1 ZINC000290743727 276535960 /nfs/dbraw/zinc/53/59/60/276535960.db2.gz QGMJSHCRIVZPTA-UBHSHLNASA-N 2 1 326.282 3.368 20 0 EGADMP C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000120564919 278207683 /nfs/dbraw/zinc/20/76/83/278207683.db2.gz BDYJQOYQQALYMW-YVSFHVDLSA-N 2 1 349.544 3.263 20 0 EGADMP C[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(C(F)(F)F)cc1 ZINC000367319498 278208258 /nfs/dbraw/zinc/20/82/58/278208258.db2.gz VVUGOMOJXOASEG-KBRIMQKVSA-N 2 1 342.405 3.262 20 0 EGADMP C[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C(F)(F)F)cc1 ZINC000367319498 278208260 /nfs/dbraw/zinc/20/82/60/278208260.db2.gz VVUGOMOJXOASEG-KBRIMQKVSA-N 2 1 342.405 3.262 20 0 EGADMP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000353567538 278300459 /nfs/dbraw/zinc/30/04/59/278300459.db2.gz ZLADAEVTADOIEX-AZUAARDMSA-N 2 1 326.488 3.164 20 0 EGADMP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352488688 278339540 /nfs/dbraw/zinc/33/95/40/278339540.db2.gz SUFALNVSJIATOE-GOSISDBHSA-N 2 1 331.504 3.017 20 0 EGADMP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352488688 278339542 /nfs/dbraw/zinc/33/95/42/278339542.db2.gz SUFALNVSJIATOE-GOSISDBHSA-N 2 1 331.504 3.017 20 0 EGADMP Cc1cc2cc([C@H](C)[NH2+][C@H](C)CN3CC[NH+](C)CC3)oc2cc1C ZINC000154929961 278760710 /nfs/dbraw/zinc/76/07/10/278760710.db2.gz RXRCUGALXSNCCX-SJORKVTESA-N 2 1 329.488 3.336 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C[C@H]2CCC[NH+](C)C2)cc1)C(C)C ZINC000265317976 279234181 /nfs/dbraw/zinc/23/41/81/279234181.db2.gz QCEWJEZCKAYLJB-IBGZPJMESA-N 2 1 345.531 3.331 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1)C(C)C ZINC000265317976 279234183 /nfs/dbraw/zinc/23/41/83/279234183.db2.gz QCEWJEZCKAYLJB-IBGZPJMESA-N 2 1 345.531 3.331 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1)C(C)C ZINC000265317976 279234184 /nfs/dbraw/zinc/23/41/84/279234184.db2.gz QCEWJEZCKAYLJB-IBGZPJMESA-N 2 1 345.531 3.331 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1)C(C)C ZINC000178833745 279234858 /nfs/dbraw/zinc/23/48/58/279234858.db2.gz RJDVUCRSGKPFDJ-INIZCTEOSA-N 2 1 331.504 3.116 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1)C1CC1 ZINC000338023059 279235425 /nfs/dbraw/zinc/23/54/25/279235425.db2.gz JSSBWMYJOSARCU-KRWDZBQOSA-N 2 1 343.515 3.275 20 0 EGADMP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000245950424 289335906 /nfs/dbraw/zinc/33/59/06/289335906.db2.gz ATXKODODGAVGKS-DLBZAZTESA-N 2 1 337.552 3.266 20 0 EGADMP CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000359301536 293571646 /nfs/dbraw/zinc/57/16/46/293571646.db2.gz KDBWZIWLPLENKN-BLLLJJGKSA-N 2 1 341.293 3.209 20 0 EGADMP COc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(OC)c1OC ZINC000369719997 295128578 /nfs/dbraw/zinc/12/85/78/295128578.db2.gz CYHFODJVNCPNJG-UHFFFAOYSA-N 2 1 348.487 3.020 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCCn1cc[nH+]c1C ZINC000414289154 309070835 /nfs/dbraw/zinc/07/08/35/309070835.db2.gz MDCAHYJHZUPOJN-UHFFFAOYSA-N 2 1 327.407 3.005 20 0 EGADMP OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248422478 308003135 /nfs/dbraw/zinc/00/31/35/308003135.db2.gz YPSYNBPYBYIEQO-NXNFSMPISA-N 2 1 328.500 3.038 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248600568 308006779 /nfs/dbraw/zinc/00/67/79/308006779.db2.gz UYQSOCBRYBRFAF-CUWPLCDZSA-N 2 1 330.516 3.223 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3oc(C(=O)OCC)c(C)c32)C1 ZINC000249036159 308017316 /nfs/dbraw/zinc/01/73/16/308017316.db2.gz SPZQEZYGKKQPIM-CVEARBPZSA-N 2 1 348.487 3.464 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3oc(C(=O)OCC)c(C)c32)C1 ZINC000249036159 308017317 /nfs/dbraw/zinc/01/73/17/308017317.db2.gz SPZQEZYGKKQPIM-CVEARBPZSA-N 2 1 348.487 3.464 20 0 EGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H](CC(N)=O)c3ccccc3)CC2)C1 ZINC000293515062 308137881 /nfs/dbraw/zinc/13/78/81/308137881.db2.gz ANUVEMXVTYEUKE-UXPWSPDFSA-N 2 1 343.515 3.236 20 0 EGADMP COCC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCOCC1 ZINC000293622033 308147010 /nfs/dbraw/zinc/14/70/10/308147010.db2.gz JTAMKLGYTBQBPI-MRXNPFEDSA-N 2 1 343.471 3.275 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC)c(OC)c2Cl)[C@@H](C)C1 ZINC000293858174 308168412 /nfs/dbraw/zinc/16/84/12/308168412.db2.gz YUPMKKWNPGVJOY-ZFWWWQNUSA-N 2 1 340.895 3.220 20 0 EGADMP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)Cc1ccccc1 ZINC000294958404 308276102 /nfs/dbraw/zinc/27/61/02/308276102.db2.gz JRIDFOXHHBXSLA-QFUCXCTJSA-N 2 1 330.516 3.487 20 0 EGADMP CCOC(=O)c1cc(C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)[nH]c1C ZINC000295187681 308300938 /nfs/dbraw/zinc/30/09/38/308300938.db2.gz NPTKBWGCDJJITC-UHFFFAOYSA-N 2 1 343.471 3.241 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000414706552 309096467 /nfs/dbraw/zinc/09/64/67/309096467.db2.gz YIBLLRSVGAWGAY-KOUHRCEDSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000414706552 309096468 /nfs/dbraw/zinc/09/64/68/309096468.db2.gz YIBLLRSVGAWGAY-KOUHRCEDSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000414706552 309096469 /nfs/dbraw/zinc/09/64/69/309096469.db2.gz YIBLLRSVGAWGAY-KOUHRCEDSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000414706552 309096470 /nfs/dbraw/zinc/09/64/70/309096470.db2.gz YIBLLRSVGAWGAY-KOUHRCEDSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000414706552 309096471 /nfs/dbraw/zinc/09/64/71/309096471.db2.gz YIBLLRSVGAWGAY-KOUHRCEDSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000414706554 309096487 /nfs/dbraw/zinc/09/64/87/309096487.db2.gz YIBLLRSVGAWGAY-VURPSTOHSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000414706554 309096488 /nfs/dbraw/zinc/09/64/88/309096488.db2.gz YIBLLRSVGAWGAY-VURPSTOHSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000414706554 309096489 /nfs/dbraw/zinc/09/64/89/309096489.db2.gz YIBLLRSVGAWGAY-VURPSTOHSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000414706554 309096490 /nfs/dbraw/zinc/09/64/90/309096490.db2.gz YIBLLRSVGAWGAY-VURPSTOHSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000414706554 309096491 /nfs/dbraw/zinc/09/64/91/309096491.db2.gz YIBLLRSVGAWGAY-VURPSTOHSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000414668706 309094765 /nfs/dbraw/zinc/09/47/65/309094765.db2.gz AQKHJBYWLGUZBY-VXGBXAGGSA-N 2 1 344.286 3.252 20 0 EGADMP C[C@H]1C[C@H](C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414682425 309095457 /nfs/dbraw/zinc/09/54/57/309095457.db2.gz REJZNOVXLXNDDY-FUHWJXTLSA-N 2 1 335.923 3.236 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC000414738089 309098226 /nfs/dbraw/zinc/09/82/26/309098226.db2.gz OGISERHNRRNHCU-PBASOCQRSA-N 3 1 329.532 3.047 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)CC[NH2+]1 ZINC000414750727 309098884 /nfs/dbraw/zinc/09/88/84/309098884.db2.gz RKAIZXJGRPOZJA-KWAZRSOSSA-N 2 1 343.298 3.271 20 0 EGADMP c1nc(-c2ccncc2)sc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772232 309100047 /nfs/dbraw/zinc/10/00/47/309100047.db2.gz BMBPRWKBDIEHEN-CVEARBPZSA-N 2 1 328.485 3.027 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc(Cl)c1O ZINC000297739909 308559972 /nfs/dbraw/zinc/55/99/72/308559972.db2.gz SXDAUACPHBBZKL-KBPBESRZSA-N 2 1 326.868 3.407 20 0 EGADMP CCc1noc(C)c1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297749579 308560989 /nfs/dbraw/zinc/56/09/89/308560989.db2.gz UDQWEXOGFQTLHL-UHFFFAOYSA-N 2 1 336.439 3.416 20 0 EGADMP CSc1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CC[NH2+]C3)C1)OCCO2 ZINC000414777905 309100416 /nfs/dbraw/zinc/10/04/16/309100416.db2.gz IOTLCERJUOMYCG-CABCVRRESA-N 2 1 348.512 3.001 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000414779426 309100659 /nfs/dbraw/zinc/10/06/59/309100659.db2.gz KBCOZQQIJYDXKM-GJZGRUSLSA-N 2 1 338.879 3.179 20 0 EGADMP Fc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000414781502 309100682 /nfs/dbraw/zinc/10/06/82/309100682.db2.gz NBVISDREBILRCX-ZIAGYGMSSA-N 2 1 341.268 3.410 20 0 EGADMP CCCn1c2ccccc2nc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414782887 309100875 /nfs/dbraw/zinc/10/08/75/309100875.db2.gz PFOKCTFTJLRWBC-IRXDYDNUSA-N 2 1 326.488 3.268 20 0 EGADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414782232 309100900 /nfs/dbraw/zinc/10/09/00/309100900.db2.gz NZQKPALMHBNLMK-UONOGXRCSA-N 2 1 332.879 3.048 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1OC ZINC000414784952 309100982 /nfs/dbraw/zinc/10/09/82/309100982.db2.gz RVWYVYWFOFTTPJ-KGLIPLIRSA-N 2 1 338.879 3.179 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000414789296 309101423 /nfs/dbraw/zinc/10/14/23/309101423.db2.gz NVKVAWJWCSCZPH-CVEARBPZSA-N 2 1 329.271 3.322 20 0 EGADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414789899 309101499 /nfs/dbraw/zinc/10/14/99/309101499.db2.gz GAHNUVGWCHABFZ-LLVKDONJSA-N 2 1 337.208 3.123 20 0 EGADMP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H](C[NH3+])C3CC3)cc2)c1 ZINC000414797348 309102168 /nfs/dbraw/zinc/10/21/68/309102168.db2.gz INOSTIVYZMFTIS-HXUWFJFHSA-N 2 1 342.439 3.323 20 0 EGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000414799389 309102329 /nfs/dbraw/zinc/10/23/29/309102329.db2.gz RGCBWNBUVSLBGF-SFHVURJKSA-N 2 1 344.503 3.387 20 0 EGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000414805967 309102614 /nfs/dbraw/zinc/10/26/14/309102614.db2.gz QALOWPDETSOVHE-DZGCQCFKSA-N 2 1 345.468 3.146 20 0 EGADMP CC[C@@H](CCc1ccc(Br)cc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414815518 309103338 /nfs/dbraw/zinc/10/33/38/309103338.db2.gz UMBFVHKZHKEVJD-HOTGVXAUSA-N 2 1 325.294 3.487 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1Cl ZINC000414832967 309104482 /nfs/dbraw/zinc/10/44/82/309104482.db2.gz FKVBRFWSZHWKPX-DZGCQCFKSA-N 2 1 325.884 3.329 20 0 EGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCC(F)(F)F ZINC000414836343 309104698 /nfs/dbraw/zinc/10/46/98/309104698.db2.gz UUESFKRXZOPQJV-PBWFPOADSA-N 2 1 344.377 3.009 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000305147335 308758654 /nfs/dbraw/zinc/75/86/54/308758654.db2.gz JQGQTCMLTRKFFZ-NVXWUHKLSA-N 2 1 339.524 3.238 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000400356018 308907183 /nfs/dbraw/zinc/90/71/83/308907183.db2.gz OOAYDXBWXIUDNY-OAHLLOKOSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH2+]C[C@H](C)CNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000414912626 309108887 /nfs/dbraw/zinc/10/88/87/309108887.db2.gz VLQMNCBQHIEVEU-HNNXBMFYSA-N 2 1 343.475 3.032 20 0 EGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c(C)c1 ZINC000414936600 309110260 /nfs/dbraw/zinc/11/02/60/309110260.db2.gz WSLQVOIWCCRPQF-SJLPKXTDSA-N 2 1 331.504 3.388 20 0 EGADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000414978555 309112509 /nfs/dbraw/zinc/11/25/09/309112509.db2.gz RXQKYIHHWQDVBD-CPUCHLNUSA-N 2 1 342.314 3.123 20 0 EGADMP Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CC[NH2+]CC3(F)F)s2)o1 ZINC000415005590 309113793 /nfs/dbraw/zinc/11/37/93/309113793.db2.gz PGXGNCYCSCSLJP-LLVKDONJSA-N 2 1 327.400 3.046 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)N2CCCCC2)cc1 ZINC000415074467 309118582 /nfs/dbraw/zinc/11/85/82/309118582.db2.gz ACGBNVFNZLMSCN-LMNJBCLMSA-N 2 1 345.531 3.342 20 0 EGADMP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415082913 309119047 /nfs/dbraw/zinc/11/90/47/309119047.db2.gz MQPYPTACVGQGDW-IRLDBZIGSA-N 2 1 346.478 3.498 20 0 EGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000415109036 309120801 /nfs/dbraw/zinc/12/08/01/309120801.db2.gz NFHHRSNQVLDGIX-WBVHZDCISA-N 2 1 326.843 3.197 20 0 EGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000415109056 309120857 /nfs/dbraw/zinc/12/08/57/309120857.db2.gz NICUYWFEJOSIGD-IRXDYDNUSA-N 2 1 326.843 3.197 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)CC[NH2+]1 ZINC000415112858 309121089 /nfs/dbraw/zinc/12/10/89/309121089.db2.gz RBDMKIQDPJGIRN-RBSFLKMASA-N 2 1 334.426 3.056 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415120420 309121740 /nfs/dbraw/zinc/12/17/40/309121740.db2.gz FZMSCFUDIWWGDX-DOMZBBRYSA-N 2 1 348.441 3.184 20 0 EGADMP c1sc2ccccc2c1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415134170 309122795 /nfs/dbraw/zinc/12/27/95/309122795.db2.gz OAGBFCJRQKDHJV-SJORKVTESA-N 2 1 328.481 3.102 20 0 EGADMP C[N@@H+](CCCNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)C1CCCCC1 ZINC000415887690 309146103 /nfs/dbraw/zinc/14/61/03/309146103.db2.gz XWUWAFFMIBNNSB-UHFFFAOYSA-N 2 1 344.503 3.108 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000415901688 309147001 /nfs/dbraw/zinc/14/70/01/309147001.db2.gz CHSBBRYUTYWPMF-UHFFFAOYSA-N 2 1 344.503 3.278 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc(C[NH2+]C)cc2)c1 ZINC000415968075 309151809 /nfs/dbraw/zinc/15/18/09/309151809.db2.gz CFNJYYZUTLAUQM-UHFFFAOYSA-N 2 1 340.471 3.179 20 0 EGADMP [NH3+]Cc1ccc(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000415980989 309152620 /nfs/dbraw/zinc/15/26/20/309152620.db2.gz UHWVSIAUADZVLR-UHFFFAOYSA-N 2 1 344.503 3.265 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)cc1 ZINC000417376188 309203420 /nfs/dbraw/zinc/20/34/20/309203420.db2.gz BVMCLSAMGBXUHU-CJNGLKHVSA-N 2 1 334.414 3.171 20 0 EGADMP Cc1cc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n(C)n1 ZINC000417784319 309222098 /nfs/dbraw/zinc/22/20/98/309222098.db2.gz CEXJBXHTSNBFLF-HKUYNNGSSA-N 2 1 326.488 3.213 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000417908492 309227991 /nfs/dbraw/zinc/22/79/91/309227991.db2.gz BRCVUSJLRZNHBP-QFBILLFUSA-N 2 1 346.519 3.016 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccccc1C(=O)N(C)C ZINC000418063620 309233997 /nfs/dbraw/zinc/23/39/97/309233997.db2.gz HFFRHSONMCUNJE-UHFFFAOYSA-N 2 1 342.487 3.060 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccccc1C(=O)N(C)C ZINC000418063620 309233998 /nfs/dbraw/zinc/23/39/98/309233998.db2.gz HFFRHSONMCUNJE-UHFFFAOYSA-N 2 1 342.487 3.060 20 0 EGADMP CC[NH2+]CC1CC[NH+](Cc2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000420288868 309279589 /nfs/dbraw/zinc/27/95/89/309279589.db2.gz JPVQRBROCSIRLJ-UHFFFAOYSA-N 2 1 332.423 3.006 20 0 EGADMP Clc1ccc(CN2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420296085 309279967 /nfs/dbraw/zinc/27/99/67/309279967.db2.gz DALDVEXHGPCXOY-KRWDZBQOSA-N 2 1 335.923 3.237 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2ccccc2OC)C2CC2)cc1 ZINC000420298719 309280118 /nfs/dbraw/zinc/28/01/18/309280118.db2.gz FWPSCAFISKRZAO-SFHVURJKSA-N 2 1 340.467 3.411 20 0 EGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420299634 309280290 /nfs/dbraw/zinc/28/02/90/309280290.db2.gz JCRMLQJAUKUFQB-XPGWFJOJSA-N 2 1 346.902 3.134 20 0 EGADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420303034 309280468 /nfs/dbraw/zinc/28/04/68/309280468.db2.gz MYMXVYTWXXGSGP-IVOMFYJKSA-N 2 1 338.495 3.104 20 0 EGADMP Cc1noc(CCC[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000420308378 309280890 /nfs/dbraw/zinc/28/08/90/309280890.db2.gz JXGHECDIKOGCLM-MRXNPFEDSA-N 2 1 346.500 3.016 20 0 EGADMP Fc1ccc(-c2c[nH]c([C@H]3CCC[N@H+]3CC[C@H]3CC[NH2+]C3)n2)cc1 ZINC000420314533 309281629 /nfs/dbraw/zinc/28/16/29/309281629.db2.gz KFWTUCBIANFMRU-RDTXWAMCSA-N 2 1 328.435 3.352 20 0 EGADMP C[N@@H+](CCOc1cc(F)cc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000420318410 309281707 /nfs/dbraw/zinc/28/17/07/309281707.db2.gz WBECURWUVKNTMI-CQSZACIVSA-N 2 1 345.256 3.041 20 0 EGADMP Fc1ccc(C[N@H+](CCc2ccccn2)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420327250 309282339 /nfs/dbraw/zinc/28/23/39/309282339.db2.gz YJFBOFUAZHZJEU-KRWDZBQOSA-N 2 1 327.447 3.265 20 0 EGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1C ZINC000420327519 309282510 /nfs/dbraw/zinc/28/25/10/309282510.db2.gz LKZQGYLJFWQPOO-SFHVURJKSA-N 2 1 344.499 3.002 20 0 EGADMP Fc1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420337851 309283084 /nfs/dbraw/zinc/28/30/84/309283084.db2.gz XHOKUPHYQLDNNH-KGLIPLIRSA-N 2 1 326.843 3.179 20 0 EGADMP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420344060 309283536 /nfs/dbraw/zinc/28/35/36/309283536.db2.gz RVRDGXOYAPOXQI-HRCADAONSA-N 2 1 347.528 3.057 20 0 EGADMP [NH3+]C[C@@H]([NH2+]CCOc1ccccc1Br)C1CCCCC1 ZINC000420353327 309283618 /nfs/dbraw/zinc/28/36/18/309283618.db2.gz AJBPGPBEIAMKPB-OAHLLOKOSA-N 2 1 341.293 3.325 20 0 EGADMP FC(F)(F)c1ccccc1[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000420373225 309284914 /nfs/dbraw/zinc/28/49/14/309284914.db2.gz MHAUQUGEBGVGPB-KRWDZBQOSA-N 2 1 342.405 3.468 20 0 EGADMP FC(F)(F)c1ccccc1[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000420373225 309284915 /nfs/dbraw/zinc/28/49/15/309284915.db2.gz MHAUQUGEBGVGPB-KRWDZBQOSA-N 2 1 342.405 3.468 20 0 EGADMP Brc1ccc2c(c1)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CCO2 ZINC000420376702 309285161 /nfs/dbraw/zinc/28/51/61/309285161.db2.gz QYZIRFYHZOCISP-ZDUSSCGKSA-N 2 1 339.277 3.033 20 0 EGADMP Brc1ccc2c(c1)C[N@H+](CC[C@@H]1CCC[NH2+]C1)CCO2 ZINC000420376702 309285162 /nfs/dbraw/zinc/28/51/62/309285162.db2.gz QYZIRFYHZOCISP-ZDUSSCGKSA-N 2 1 339.277 3.033 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc4c(c3)CCC4)CC2)CC1 ZINC000420985267 309305901 /nfs/dbraw/zinc/30/59/01/309305901.db2.gz VXALVTTYXYMYPV-UHFFFAOYSA-N 2 1 341.543 3.167 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421825798 309341874 /nfs/dbraw/zinc/34/18/74/309341874.db2.gz PICJKDXFJVGBKZ-IRLDBZIGSA-N 2 1 349.522 3.483 20 0 EGADMP CON1CCC([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000421878442 309344710 /nfs/dbraw/zinc/34/47/10/309344710.db2.gz NIDGIMBLIPQECP-UHFFFAOYSA-N 2 1 331.504 3.045 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C[C@@H]1C[NH3+] ZINC000422631149 309362954 /nfs/dbraw/zinc/36/29/54/309362954.db2.gz FBUYXVUWRVOQHI-UWVAXJGDSA-N 2 1 343.515 3.118 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C[C@@H]1C[NH3+] ZINC000422635967 309363139 /nfs/dbraw/zinc/36/31/39/309363139.db2.gz MGOBCLROCVPKTH-IPYPFGDCSA-N 2 1 348.878 3.238 20 0 EGADMP COc1ccccc1[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCCC1 ZINC000422707291 309364030 /nfs/dbraw/zinc/36/40/30/309364030.db2.gz HEYBXCNRWBLJOT-NHJHPMQKSA-N 2 1 343.515 3.095 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCCC3=O)cc2)c2ccccc21 ZINC000422710456 309364115 /nfs/dbraw/zinc/36/41/15/309364115.db2.gz FUBNHRJZDRKJLJ-WOJBJXKFSA-N 2 1 335.451 3.043 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000422721475 309364871 /nfs/dbraw/zinc/36/48/71/309364871.db2.gz NYPYRRKTIGBUMM-QGZVFWFLSA-N 2 1 337.467 3.054 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](CCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000422805187 309369464 /nfs/dbraw/zinc/36/94/64/309369464.db2.gz IREVOFCQRPNANA-YPAWHYETSA-N 2 1 341.543 3.335 20 0 EGADMP c1ccc2c(c1)CC[N@H+](CCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000422805187 309369465 /nfs/dbraw/zinc/36/94/65/309369465.db2.gz IREVOFCQRPNANA-YPAWHYETSA-N 2 1 341.543 3.335 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422808198 309369561 /nfs/dbraw/zinc/36/95/61/309369561.db2.gz NTIHAYSAKFGBFW-INIZCTEOSA-N 2 1 338.499 3.295 20 0 EGADMP CC[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[N@@H+](C)Cc1ccccc1 ZINC000422842949 309371443 /nfs/dbraw/zinc/37/14/43/309371443.db2.gz ZVWBXQWESJWBAF-HXUWFJFHSA-N 2 1 337.467 3.181 20 0 EGADMP COc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1NC(C)=O ZINC000422847846 309371827 /nfs/dbraw/zinc/37/18/27/309371827.db2.gz SEUNSULGYJZIPQ-YOEHRIQHSA-N 2 1 333.476 3.054 20 0 EGADMP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422873112 309373132 /nfs/dbraw/zinc/37/31/32/309373132.db2.gz KAVSEJFRNIBBEA-FRYIKTPZSA-N 2 1 346.515 3.419 20 0 EGADMP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422880954 309373598 /nfs/dbraw/zinc/37/35/98/309373598.db2.gz XZPYUAVOOGZPLS-HRCADAONSA-N 2 1 340.414 3.307 20 0 EGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1cccc(OCC[NH+](C)C)c1 ZINC000422898119 309375021 /nfs/dbraw/zinc/37/50/21/309375021.db2.gz LFKDDBMLMFCUHZ-HKUYNNGSSA-N 2 1 333.520 3.027 20 0 EGADMP N[C@H]1CCC[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422913298 309375765 /nfs/dbraw/zinc/37/57/65/309375765.db2.gz YDUCFVBRERHJIO-LEWJYISDSA-N 2 1 329.532 3.191 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CN[C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422912128 309375876 /nfs/dbraw/zinc/37/58/76/309375876.db2.gz VMVIXDYATQHORY-RDJZCZTQSA-N 2 1 332.536 3.400 20 0 EGADMP CC[C@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422912128 309375877 /nfs/dbraw/zinc/37/58/77/309375877.db2.gz VMVIXDYATQHORY-RDJZCZTQSA-N 2 1 332.536 3.400 20 0 EGADMP COCCNc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422967994 309378761 /nfs/dbraw/zinc/37/87/61/309378761.db2.gz QEUYZQZUSYZZLR-NHCUHLMSSA-N 2 1 339.483 3.328 20 0 EGADMP C[C@H]([NH3+])[C@H]1COCC[C@H]1Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000423040623 309382455 /nfs/dbraw/zinc/38/24/55/309382455.db2.gz HQWBFJXKDJMESU-NWANDNLSSA-N 2 1 330.476 3.035 20 0 EGADMP CC[C@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423037144 309382475 /nfs/dbraw/zinc/38/24/75/309382475.db2.gz BEFQYTBDCUBGTB-ZLIFDBKOSA-N 2 1 325.859 3.178 20 0 EGADMP c1ccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000423081727 309385000 /nfs/dbraw/zinc/38/50/00/309385000.db2.gz VJZOBKWXPIAGEF-XDWAVFMPSA-N 2 1 328.500 3.460 20 0 EGADMP Fc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000423081119 309385075 /nfs/dbraw/zinc/38/50/75/309385075.db2.gz BFECNBDINVZNKO-HKUYMTLNSA-N 2 1 332.463 3.209 20 0 EGADMP c1csc(N2CCC([NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)n1 ZINC000423109252 309386332 /nfs/dbraw/zinc/38/63/32/309386332.db2.gz UREQKPYPZXRUBH-MSOLQXFVSA-N 2 1 342.512 3.195 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000423135359 309387789 /nfs/dbraw/zinc/38/77/89/309387789.db2.gz NWEGJIWOGDAAJH-BLLLJJGKSA-N 2 1 338.373 3.475 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423158940 309388750 /nfs/dbraw/zinc/38/87/50/309388750.db2.gz XLLOJJYFMVTQRZ-UGSOOPFHSA-N 2 1 336.838 3.406 20 0 EGADMP Brc1cccc2c1OCCC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000423182951 309389615 /nfs/dbraw/zinc/38/96/15/309389615.db2.gz KQPLYGOBHGCHFW-AWEZNQCLSA-N 2 1 325.250 3.004 20 0 EGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000423188892 309389678 /nfs/dbraw/zinc/38/96/78/309389678.db2.gz ZNWHTWBVNCSUFO-MRXNPFEDSA-N 2 1 342.487 3.311 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423318127 309394965 /nfs/dbraw/zinc/39/49/65/309394965.db2.gz CCWHGJKULXYPMX-SCTDSRPQSA-N 2 1 345.531 3.197 20 0 EGADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423321133 309395084 /nfs/dbraw/zinc/39/50/84/309395084.db2.gz MUHMHYOGMTWIDR-VQTJNVASSA-N 2 1 328.431 3.445 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000423332856 309395484 /nfs/dbraw/zinc/39/54/84/309395484.db2.gz HITSAQPDRLGGAO-CBNMVNINSA-N 3 1 329.532 3.409 20 0 EGADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1Cl ZINC000423340957 309396114 /nfs/dbraw/zinc/39/61/14/309396114.db2.gz WCJHLJHYVQTQML-YVEFUNNKSA-N 2 1 326.868 3.398 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)nnn1-c1cccc(Cl)c1 ZINC000423370184 309397540 /nfs/dbraw/zinc/39/75/40/309397540.db2.gz FGWGVWUHMZTRKL-NILFDRSVSA-N 2 1 333.867 3.150 20 0 EGADMP COC[C@]1(C[NH2+][C@@H](C)c2ccc(OC)c3ccccc32)CCC[NH2+]1 ZINC000423426178 309399973 /nfs/dbraw/zinc/39/99/73/309399973.db2.gz MYCKEYKGOLVKKN-MGPUTAFESA-N 2 1 328.456 3.268 20 0 EGADMP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423463252 309401125 /nfs/dbraw/zinc/40/11/25/309401125.db2.gz WDTIUCAQYYDYJN-BJWJNCAASA-N 2 1 339.302 3.039 20 0 EGADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2c(CC)cccc2CC)CC1 ZINC000430570714 309611156 /nfs/dbraw/zinc/61/11/56/309611156.db2.gz CBCSTYCEFBNXHX-UHFFFAOYSA-N 2 1 331.504 3.071 20 0 EGADMP CC[NH2+]CC1CC[NH+]([C@H](C)c2nc(Cc3ccc(F)cc3)no2)CC1 ZINC000430576316 309611469 /nfs/dbraw/zinc/61/14/69/309611469.db2.gz BENKWCGQGASFNH-CQSZACIVSA-N 2 1 346.450 3.182 20 0 EGADMP CCOc1ccccc1OCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000441314096 309867931 /nfs/dbraw/zinc/86/79/31/309867931.db2.gz WFNQWCUKNQVDGT-UHFFFAOYSA-N 2 1 343.471 3.152 20 0 EGADMP C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000447370906 309977770 /nfs/dbraw/zinc/97/77/70/309977770.db2.gz CZQHABAVMMDQMZ-AWEZNQCLSA-N 2 1 346.450 3.134 20 0 EGADMP COc1cccc2c(C[NH+]3CCC([N@H+](C)C[C@@H](C)O)CC3)cccc12 ZINC000449027707 310030592 /nfs/dbraw/zinc/03/05/92/310030592.db2.gz MEQQLPTUXFYHSR-MRXNPFEDSA-N 2 1 342.483 3.125 20 0 EGADMP COc1cccc2c(C[NH+]3CCC([N@@H+](C)C[C@@H](C)O)CC3)cccc12 ZINC000449027707 310030593 /nfs/dbraw/zinc/03/05/93/310030593.db2.gz MEQQLPTUXFYHSR-MRXNPFEDSA-N 2 1 342.483 3.125 20 0 EGADMP Cn1cc(C[NH2+]CCC[NH+]2CCCCC2)c(-c2ccc(F)cc2)n1 ZINC000449067571 310034413 /nfs/dbraw/zinc/03/44/13/310034413.db2.gz MOUVZTAOGOMPFU-UHFFFAOYSA-N 2 1 330.451 3.192 20 0 EGADMP COc1ccc(-n2cc(C[NH2+]C[C@H]3CCC[N@@H+](C(C)C)C3)cn2)cc1 ZINC000449129784 310039053 /nfs/dbraw/zinc/03/90/53/310039053.db2.gz DHXIXBVDJYGUFG-QGZVFWFLSA-N 2 1 342.487 3.091 20 0 EGADMP COc1ccc(-n2cc(C[NH2+]C[C@H]3CCC[N@H+](C(C)C)C3)cn2)cc1 ZINC000449129784 310039054 /nfs/dbraw/zinc/03/90/54/310039054.db2.gz DHXIXBVDJYGUFG-QGZVFWFLSA-N 2 1 342.487 3.091 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449218088 310045437 /nfs/dbraw/zinc/04/54/37/310045437.db2.gz FIEVUYATLXKQFW-UHFFFAOYSA-N 2 1 330.451 3.190 20 0 EGADMP Cc1ncc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)n1-c1ccccc1 ZINC000449555479 310071410 /nfs/dbraw/zinc/07/14/10/310071410.db2.gz QJZMLKYAUHKXNU-MBOZVWFJSA-N 2 1 325.456 3.164 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000449699881 310081471 /nfs/dbraw/zinc/08/14/71/310081471.db2.gz ALRVKKPGKNIOEQ-SFHVURJKSA-N 2 1 331.504 3.036 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+]2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)CC1 ZINC000451144599 310162537 /nfs/dbraw/zinc/16/25/37/310162537.db2.gz IVKNAYPCYUMPGY-GVDBMIGSSA-N 2 1 349.485 3.454 20 0 EGADMP CCO[C@@H]1CC[N@@H+](C/C=C\C[NH+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000451522009 310182619 /nfs/dbraw/zinc/18/26/19/310182619.db2.gz ALLZICXHAXKQMF-XRALVEFGSA-N 2 1 338.536 3.036 20 0 EGADMP CCO[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000451522009 310182620 /nfs/dbraw/zinc/18/26/20/310182620.db2.gz ALLZICXHAXKQMF-XRALVEFGSA-N 2 1 338.536 3.036 20 0 EGADMP CCO[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000451522009 310182621 /nfs/dbraw/zinc/18/26/21/310182621.db2.gz ALLZICXHAXKQMF-XRALVEFGSA-N 2 1 338.536 3.036 20 0 EGADMP C(C[NH+]1CCSC[C@@H]1C1CC1)C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451656255 310191592 /nfs/dbraw/zinc/19/15/92/310191592.db2.gz SQMOQSJTAVYTGV-IAGOWNOFSA-N 2 1 326.575 3.031 20 0 EGADMP C(C[NH+]1CCSC[C@@H]1C1CC1)C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451656255 310191593 /nfs/dbraw/zinc/19/15/93/310191593.db2.gz SQMOQSJTAVYTGV-IAGOWNOFSA-N 2 1 326.575 3.031 20 0 EGADMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453112434 310258730 /nfs/dbraw/zinc/25/87/30/310258730.db2.gz CYFXZYRHYQCUCY-VNTMZGSJSA-N 2 1 348.556 3.133 20 0 EGADMP C[C@@H](Cc1cnccn1)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000453137069 310260354 /nfs/dbraw/zinc/26/03/54/310260354.db2.gz HSACPIFHAOSCDH-TWFHAPMSSA-N 2 1 338.499 3.154 20 0 EGADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453140876 310260452 /nfs/dbraw/zinc/26/04/52/310260452.db2.gz ZRMBEKCVEIXWOC-XRXFAXGQSA-N 2 1 330.516 3.426 20 0 EGADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453140873 310260466 /nfs/dbraw/zinc/26/04/66/310260466.db2.gz ZRMBEKCVEIXWOC-MXEMCNAFSA-N 2 1 330.516 3.426 20 0 EGADMP C[C@@H](CCCc1cccnc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000453149116 310260868 /nfs/dbraw/zinc/26/08/68/310260868.db2.gz RJOPLMOUHVAGTL-IBGZPJMESA-N 2 1 345.531 3.418 20 0 EGADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000453197566 310263574 /nfs/dbraw/zinc/26/35/74/310263574.db2.gz NEVGIHOXPKVPBS-LEWJYISDSA-N 2 1 339.483 3.279 20 0 EGADMP OC1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453228917 310265419 /nfs/dbraw/zinc/26/54/19/310265419.db2.gz ZRLITXXZDHOGAQ-JRGKDQQJSA-N 2 1 328.500 3.180 20 0 EGADMP CC(C)(CO)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453274016 310268662 /nfs/dbraw/zinc/26/86/62/310268662.db2.gz JYVNLYFKTISIEN-ZCNNSNEGSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000453295487 310269691 /nfs/dbraw/zinc/26/96/91/310269691.db2.gz YGTUFSQLARWVSG-WQVCFCJDSA-N 2 1 330.394 3.201 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000453295487 310269692 /nfs/dbraw/zinc/26/96/92/310269692.db2.gz YGTUFSQLARWVSG-WQVCFCJDSA-N 2 1 330.394 3.201 20 0 EGADMP OCC1(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000453335682 310271604 /nfs/dbraw/zinc/27/16/04/310271604.db2.gz IXRHTBKFTXHMPQ-QHAWAJNXSA-N 2 1 342.527 3.429 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cc(C)ccc2F)[C@H](C)C1 ZINC000453340907 310271951 /nfs/dbraw/zinc/27/19/51/310271951.db2.gz HFEVQMDCCHVUSM-YLJYHZDGSA-N 2 1 336.495 3.403 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C1CCC1 ZINC000453369116 310273430 /nfs/dbraw/zinc/27/34/30/310273430.db2.gz FFYKWRMMCDTJNN-XRXFAXGQSA-N 2 1 328.500 3.180 20 0 EGADMP C[N@@H+](CCCC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C1CC1 ZINC000453405291 310275440 /nfs/dbraw/zinc/27/54/40/310275440.db2.gz QHSANXRJGROWOB-UHFFFAOYSA-N 2 1 341.499 3.283 20 0 EGADMP Cc1cc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cn2cc[nH+]c12 ZINC000455650890 310371369 /nfs/dbraw/zinc/37/13/69/310371369.db2.gz FGHHHPUFLSDTCJ-INIZCTEOSA-N 2 1 343.475 3.419 20 0 EGADMP Cc1cc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cn2cc[nH+]c12 ZINC000455650890 310371370 /nfs/dbraw/zinc/37/13/70/310371370.db2.gz FGHHHPUFLSDTCJ-INIZCTEOSA-N 2 1 343.475 3.419 20 0 EGADMP Cc1cc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cn2cc[nH+]c12 ZINC000455665563 310371796 /nfs/dbraw/zinc/37/17/96/310371796.db2.gz UJEZKEWWIULLLC-QGZVFWFLSA-N 2 1 337.427 3.067 20 0 EGADMP Cc1cc(C)n(-c2ccc(CC[NH2+]C3CC[NH+](C4CC4)CC3)cc2)n1 ZINC000459376933 310548053 /nfs/dbraw/zinc/54/80/53/310548053.db2.gz OKBKETSXFBMVER-UHFFFAOYSA-N 2 1 338.499 3.248 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccccc1C ZINC000482163465 310927863 /nfs/dbraw/zinc/92/78/63/310927863.db2.gz LTXKXRKVLNAHRI-VQTJNVASSA-N 2 1 345.531 3.101 20 0 EGADMP C[C@@H](NC(=O)c1ccccc1C[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000487013219 311006844 /nfs/dbraw/zinc/00/68/44/311006844.db2.gz CFVWZIZGTKQCDL-IAGOWNOFSA-N 2 1 343.515 3.131 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1)C1CC1 ZINC000487472179 311025199 /nfs/dbraw/zinc/02/51/99/311025199.db2.gz WAWGXJUAFIOYCV-ICSRJNTNSA-N 2 1 343.515 3.274 20 0 EGADMP COCC[N@H+](C)CC[C@H](Nc1cc(C)[nH+]c(C)n1)c1ccccc1 ZINC000505565871 312026327 /nfs/dbraw/zinc/02/63/27/312026327.db2.gz YGTVJQOOUPFJSG-SFHVURJKSA-N 2 1 328.460 3.215 20 0 EGADMP COCC[N@@H+](C)CC[C@H](Nc1cc(C)[nH+]c(C)n1)c1ccccc1 ZINC000505565871 312026329 /nfs/dbraw/zinc/02/63/29/312026329.db2.gz YGTVJQOOUPFJSG-SFHVURJKSA-N 2 1 328.460 3.215 20 0 EGADMP C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506474293 312049579 /nfs/dbraw/zinc/04/95/79/312049579.db2.gz MFNWMHHLHGEZOF-ZRNYENFQSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[C@H](CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000508718458 312100536 /nfs/dbraw/zinc/10/05/36/312100536.db2.gz NTSUXHICHXKHHJ-HMXCVIKNSA-N 2 1 331.548 3.463 20 0 EGADMP CC(C)C[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000508718458 312100538 /nfs/dbraw/zinc/10/05/38/312100538.db2.gz NTSUXHICHXKHHJ-HMXCVIKNSA-N 3 1 331.548 3.463 20 0 EGADMP CC(C)C[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000508718458 312100540 /nfs/dbraw/zinc/10/05/40/312100540.db2.gz NTSUXHICHXKHHJ-HMXCVIKNSA-N 3 1 331.548 3.463 20 0 EGADMP C[N@@H+](CCOc1ccccc1Br)C[C@H]1CCC[NH+](C)C1 ZINC000508876684 312104355 /nfs/dbraw/zinc/10/43/55/312104355.db2.gz VVAVBLBNOWWMNC-AWEZNQCLSA-N 2 1 341.293 3.102 20 0 EGADMP C[NH+](CCOc1ccccc1Br)C[C@H]1CCC[N@H+](C)C1 ZINC000508876684 312104357 /nfs/dbraw/zinc/10/43/57/312104357.db2.gz VVAVBLBNOWWMNC-AWEZNQCLSA-N 2 1 341.293 3.102 20 0 EGADMP C[NH+](CCOc1ccccc1Br)C[C@H]1CCC[N@@H+](C)C1 ZINC000508876684 312104359 /nfs/dbraw/zinc/10/43/59/312104359.db2.gz VVAVBLBNOWWMNC-AWEZNQCLSA-N 2 1 341.293 3.102 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000512610502 312189991 /nfs/dbraw/zinc/18/99/91/312189991.db2.gz BTISEBFAJWHLPZ-UWHLTILDSA-N 2 1 328.500 3.446 20 0 EGADMP O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000517024128 312358852 /nfs/dbraw/zinc/35/88/52/312358852.db2.gz GVHJVIABNBLWMN-JGUMPVPUSA-N 2 1 349.478 3.109 20 0 EGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC3(O)CCC(c4ccccc4)CC3)C2)C1 ZINC000528512243 313109060 /nfs/dbraw/zinc/10/90/60/313109060.db2.gz JERDWCANMAVENX-ATKRNPRHSA-N 2 1 342.527 3.493 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC3(O)CCC(c4ccccc4)CC3)C2)C1 ZINC000528512243 313109062 /nfs/dbraw/zinc/10/90/62/313109062.db2.gz JERDWCANMAVENX-ATKRNPRHSA-N 2 1 342.527 3.493 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC3(O)CCC(c4ccccc4)CC3)C2)C1 ZINC000528512243 313109066 /nfs/dbraw/zinc/10/90/66/313109066.db2.gz JERDWCANMAVENX-ATKRNPRHSA-N 2 1 342.527 3.493 20 0 EGADMP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1CCCc1cncn1C ZINC000528605570 313128297 /nfs/dbraw/zinc/12/82/97/313128297.db2.gz IEGRIGSTSXSGFF-OAQYLSRUSA-N 2 1 340.515 3.195 20 0 EGADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CCCc1cncn1C ZINC000528605570 313128301 /nfs/dbraw/zinc/12/83/01/313128301.db2.gz IEGRIGSTSXSGFF-OAQYLSRUSA-N 2 1 340.515 3.195 20 0 EGADMP CCn1cncc1CN1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC000529639304 313376016 /nfs/dbraw/zinc/37/60/16/313376016.db2.gz ARFGEVQKFKNHHO-FQEVSTJZSA-N 2 1 326.488 3.245 20 0 EGADMP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccs1 ZINC000531710707 313704567 /nfs/dbraw/zinc/70/45/67/313704567.db2.gz SHTUXXNBKLYCOW-FUHWJXTLSA-N 2 1 329.513 3.387 20 0 EGADMP CCCc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000538691551 314265642 /nfs/dbraw/zinc/26/56/42/314265642.db2.gz FUZUBMMOAUVRPS-OAQYLSRUSA-N 2 1 329.532 3.239 20 0 EGADMP COc1ccc(OC2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000548394476 315004020 /nfs/dbraw/zinc/00/40/20/315004020.db2.gz XAJUGTJJJDKZHI-UHFFFAOYSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC000548858584 315055707 /nfs/dbraw/zinc/05/57/07/315055707.db2.gz OJBKBQXZTALWOO-HOJAQTOUSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC000548858584 315055709 /nfs/dbraw/zinc/05/57/09/315055709.db2.gz OJBKBQXZTALWOO-HOJAQTOUSA-N 2 1 328.500 3.446 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1Oc1ccncc1 ZINC000548904905 315061699 /nfs/dbraw/zinc/06/16/99/315061699.db2.gz DEAPFQUSJOPBMI-HNNXBMFYSA-N 2 1 337.423 3.088 20 0 EGADMP C[NH+](C)C[C@@H]1CCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000549557865 315096767 /nfs/dbraw/zinc/09/67/67/315096767.db2.gz SNAWLEKSKNGTAH-LBPRGKRZSA-N 2 1 334.261 3.385 20 0 EGADMP C[C@H](C[N@H+]1CCC[C@H](CN2CCOCC2)C1)c1cccc(Cl)c1 ZINC000549810306 315105925 /nfs/dbraw/zinc/10/59/25/315105925.db2.gz QJEDFCYXBQVIAK-IAGOWNOFSA-N 2 1 336.907 3.488 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000549844299 315107441 /nfs/dbraw/zinc/10/74/41/315107441.db2.gz LXRPGWZMMSMYSU-YFVAEKQCSA-N 2 1 348.506 3.316 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000549844299 315107445 /nfs/dbraw/zinc/10/74/45/315107445.db2.gz LXRPGWZMMSMYSU-YFVAEKQCSA-N 2 1 348.506 3.316 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000549844299 315107447 /nfs/dbraw/zinc/10/74/47/315107447.db2.gz LXRPGWZMMSMYSU-YFVAEKQCSA-N 2 1 348.506 3.316 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000549844299 315107450 /nfs/dbraw/zinc/10/74/50/315107450.db2.gz LXRPGWZMMSMYSU-YFVAEKQCSA-N 2 1 348.506 3.316 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc(Br)c3C2)CC[N@@H+]1C ZINC000550156379 315118418 /nfs/dbraw/zinc/11/84/18/315118418.db2.gz WEJYAHGBWKGELI-VHDGCEQUSA-N 2 1 337.305 3.379 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc(Br)c3C2)CC[N@H+]1C ZINC000550156379 315118420 /nfs/dbraw/zinc/11/84/20/315118420.db2.gz WEJYAHGBWKGELI-VHDGCEQUSA-N 2 1 337.305 3.379 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCCC[NH+](C)C)cc2)C1 ZINC000552366568 315216670 /nfs/dbraw/zinc/21/66/70/315216670.db2.gz NLLZDCOTSXHLQL-SFHVURJKSA-N 2 1 345.531 3.267 20 0 EGADMP CC(C)CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000555235156 315374624 /nfs/dbraw/zinc/37/46/24/315374624.db2.gz GNLJDIXSYKXFCN-NHCUHLMSSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000555235156 315374625 /nfs/dbraw/zinc/37/46/25/315374625.db2.gz GNLJDIXSYKXFCN-NHCUHLMSSA-N 2 1 330.516 3.428 20 0 EGADMP Cc1ccnc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000556864571 315477651 /nfs/dbraw/zinc/47/76/51/315477651.db2.gz VDXPMPIJBZDMSZ-FUHWJXTLSA-N 2 1 344.528 3.091 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])N2CCCC2)cc1 ZINC000563528272 316033082 /nfs/dbraw/zinc/03/30/82/316033082.db2.gz RMTZQFDMEVTNIG-AQNXPRMDSA-N 2 1 331.504 3.082 20 0 EGADMP Cn1c2ccc(N[C@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2[nH+]c1C(C)(C)C ZINC000563700270 316058110 /nfs/dbraw/zinc/05/81/10/316058110.db2.gz GVHQKXXXZLWAPO-QZTJIDSGSA-N 2 1 342.487 3.050 20 0 EGADMP Oc1cc(F)cc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000564507276 316160024 /nfs/dbraw/zinc/16/00/24/316160024.db2.gz ULUOPPQGRVVGOP-OALUTQOASA-N 2 1 340.442 3.485 20 0 EGADMP CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000564986569 316242031 /nfs/dbraw/zinc/24/20/31/316242031.db2.gz WOQGFBVGYIMJTB-KRWDZBQOSA-N 2 1 343.515 3.244 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ncc(Br)s1 ZINC000564989670 316242355 /nfs/dbraw/zinc/24/23/55/316242355.db2.gz WQCZETAUQBMPCQ-SECBINFHSA-N 2 1 326.263 3.215 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H]3CCCC[C@@H]3O)C2)s1 ZINC000565049422 316255752 /nfs/dbraw/zinc/25/57/52/316255752.db2.gz PQJBISRBSITQSR-AOIWGVFYSA-N 2 1 336.545 3.361 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCCC[C@@H]3O)C2)s1 ZINC000565049422 316255756 /nfs/dbraw/zinc/25/57/56/316255756.db2.gz PQJBISRBSITQSR-AOIWGVFYSA-N 2 1 336.545 3.361 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCCC[C@@H]3O)C2)s1 ZINC000565049422 316255759 /nfs/dbraw/zinc/25/57/59/316255759.db2.gz PQJBISRBSITQSR-AOIWGVFYSA-N 2 1 336.545 3.361 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]CCCCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000565534451 316336176 /nfs/dbraw/zinc/33/61/76/316336176.db2.gz GFMFODZKUGMSRO-OAHLLOKOSA-N 2 1 339.911 3.027 20 0 EGADMP CC(C)Oc1cc(C[N@H+](CCCc2c[nH+]cn2C)C2CC2)ccn1 ZINC000565666054 316354496 /nfs/dbraw/zinc/35/44/96/316354496.db2.gz OYPVOKCSWKPWQY-UHFFFAOYSA-N 2 1 328.460 3.200 20 0 EGADMP CC(C)Oc1cc(C[N@@H+](CCCc2c[nH+]cn2C)C2CC2)ccn1 ZINC000565666054 316354499 /nfs/dbraw/zinc/35/44/99/316354499.db2.gz OYPVOKCSWKPWQY-UHFFFAOYSA-N 2 1 328.460 3.200 20 0 EGADMP CCn1nc(C)c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1C ZINC000570114589 317009818 /nfs/dbraw/zinc/00/98/18/317009818.db2.gz RYOMDDZTHKXPGA-UHFFFAOYSA-N 2 1 340.515 3.317 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000570295744 317036263 /nfs/dbraw/zinc/03/62/63/317036263.db2.gz MAPNZNMZULWZCW-CVEARBPZSA-N 2 1 344.503 3.146 20 0 EGADMP Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NC[C@H](O)C[NH+](C)C1CC1 ZINC000570325773 317039913 /nfs/dbraw/zinc/03/99/13/317039913.db2.gz XQHDOMNKHHRPMC-APWZRJJASA-N 2 1 331.504 3.241 20 0 EGADMP Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NC[C@H](O)C[NH+](C)C1CC1 ZINC000570325773 317039916 /nfs/dbraw/zinc/03/99/16/317039916.db2.gz XQHDOMNKHHRPMC-APWZRJJASA-N 2 1 331.504 3.241 20 0 EGADMP Cc1cc([NH+]2CCCC[C@H]2C)ccc1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000570325773 317039920 /nfs/dbraw/zinc/03/99/20/317039920.db2.gz XQHDOMNKHHRPMC-APWZRJJASA-N 2 1 331.504 3.241 20 0 EGADMP Cc1cc([NH+]2CCCC[C@H]2C)ccc1NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000570325773 317039922 /nfs/dbraw/zinc/03/99/22/317039922.db2.gz XQHDOMNKHHRPMC-APWZRJJASA-N 2 1 331.504 3.241 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Br)cn1 ZINC000571468369 317203372 /nfs/dbraw/zinc/20/33/72/317203372.db2.gz DPLONEDDLKTWEC-YUTCNCBUSA-N 2 1 326.282 3.368 20 0 EGADMP Cc1ccc2[nH]c(C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)nc2c1 ZINC000571753125 317242155 /nfs/dbraw/zinc/24/21/55/317242155.db2.gz ZTCZHJVDNRIICK-WIYYLYMNSA-N 2 1 348.450 3.217 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000572012391 317279677 /nfs/dbraw/zinc/27/96/77/317279677.db2.gz YIIACSVCNPXRDM-UHFFFAOYSA-N 2 1 327.472 3.160 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000572012391 317279680 /nfs/dbraw/zinc/27/96/80/317279680.db2.gz YIIACSVCNPXRDM-UHFFFAOYSA-N 2 1 327.472 3.160 20 0 EGADMP C[N@H+]1CCC[C@@H](CCNC(=O)c2ccccc2Oc2ccncc2)C1 ZINC000572339678 317323447 /nfs/dbraw/zinc/32/34/47/317323447.db2.gz UREKTBMTNACANA-INIZCTEOSA-N 2 1 339.439 3.336 20 0 EGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000572532043 317352487 /nfs/dbraw/zinc/35/24/87/317352487.db2.gz UIJLOJCDCJFGOU-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000572532043 317352488 /nfs/dbraw/zinc/35/24/88/317352488.db2.gz UIJLOJCDCJFGOU-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000262480626 456039837 /nfs/dbraw/zinc/03/98/37/456039837.db2.gz JXHYAAHFEJFKME-CYBMUJFWSA-N 2 1 344.286 3.396 20 0 EGADMP Fc1ccc(Br)c(F)c1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000230309920 456135652 /nfs/dbraw/zinc/13/56/52/456135652.db2.gz AVTGATRPRLDBCG-GHMZBOCLSA-N 2 1 345.231 3.444 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000171948317 323263055 /nfs/dbraw/zinc/26/30/55/323263055.db2.gz IQIGTKOFWIAVKW-QGZVFWFLSA-N 2 1 345.531 3.054 20 0 EGADMP CC1CCC([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000174371107 323305836 /nfs/dbraw/zinc/30/58/36/323305836.db2.gz ONGBVTXQYHWOCU-NQKNOSNGSA-N 2 1 343.515 3.052 20 0 EGADMP CC(C)[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000178879216 323361746 /nfs/dbraw/zinc/36/17/46/323361746.db2.gz QOKCGGIMPKSWJT-YTQUADARSA-N 2 1 337.552 3.074 20 0 EGADMP CCc1ncc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000414316263 324299008 /nfs/dbraw/zinc/29/90/08/324299008.db2.gz HVLOMJHFCSBOTF-OAHLLOKOSA-N 2 1 330.501 3.102 20 0 EGADMP CCc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000414316263 324299010 /nfs/dbraw/zinc/29/90/10/324299010.db2.gz HVLOMJHFCSBOTF-OAHLLOKOSA-N 2 1 330.501 3.102 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)CC(C)(C)C)CC2)CC1 ZINC000578906894 325035992 /nfs/dbraw/zinc/03/59/92/325035992.db2.gz RZOVMOOMMFSGDI-INIZCTEOSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000579715145 325149838 /nfs/dbraw/zinc/14/98/38/325149838.db2.gz QOJPSTRBBJRNGY-YLJYHZDGSA-N 2 1 343.515 3.209 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000581487586 325365596 /nfs/dbraw/zinc/36/55/96/325365596.db2.gz XEPWHPWIMGEJNG-YJLNNSPDSA-N 2 1 340.471 3.266 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC1)CC(C)C ZINC000358739972 458183496 /nfs/dbraw/zinc/18/34/96/458183496.db2.gz GNRLSFRRTYONHS-GOSISDBHSA-N 2 1 339.568 3.322 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1(CC)CC ZINC000432408820 458734129 /nfs/dbraw/zinc/73/41/29/458734129.db2.gz VOOXZNNJEYQEOI-KZNAEPCWSA-N 2 1 326.525 3.061 20 0 EGADMP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCc1c[nH+]cn1C ZINC000530355054 458753786 /nfs/dbraw/zinc/75/37/86/458753786.db2.gz ZQNIYCNZGJEJNL-NSHDSACASA-N 2 1 340.240 3.085 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000173339972 455268885 /nfs/dbraw/zinc/26/88/85/455268885.db2.gz CJFRHPCFZKCOCY-BRWVUGGUSA-N 2 1 339.524 3.001 20 0 EGADMP C[C@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000158179474 455277151 /nfs/dbraw/zinc/27/71/51/455277151.db2.gz SUUJOKQMAXMTCY-YUXAGFNASA-N 2 1 338.495 3.233 20 0 EGADMP C[C@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000158179474 455277156 /nfs/dbraw/zinc/27/71/56/455277156.db2.gz SUUJOKQMAXMTCY-YUXAGFNASA-N 2 1 338.495 3.233 20 0 EGADMP COc1cc(N[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)cc(OC)c1 ZINC000245733625 455368088 /nfs/dbraw/zinc/36/80/88/455368088.db2.gz WJDQJWDJBUVHCO-AEFFLSMTSA-N 2 1 347.503 3.064 20 0 EGADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000081283281 453855706 /nfs/dbraw/zinc/85/57/06/453855706.db2.gz QIPYYABODWZEMV-FXAWDEMLSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)o1 ZINC000053404568 453877331 /nfs/dbraw/zinc/87/73/31/453877331.db2.gz IMSMXTHBSYJHQA-MRXNPFEDSA-N 2 1 349.519 3.362 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000066960844 453889812 /nfs/dbraw/zinc/88/98/12/453889812.db2.gz WJORKJUWUYJPEW-FQEVSTJZSA-N 2 1 345.531 3.260 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2)CC1 ZINC000066960588 453890386 /nfs/dbraw/zinc/89/03/86/453890386.db2.gz UXMODMFGTPTGCB-QGZVFWFLSA-N 2 1 331.504 3.458 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)oc1C ZINC000085323427 454023137 /nfs/dbraw/zinc/02/31/37/454023137.db2.gz QBCDULRJCARLJX-CEXWTWQISA-N 2 1 329.488 3.305 20 0 EGADMP Cc1[nH+]ccn1CCN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000077121689 454065725 /nfs/dbraw/zinc/06/57/25/454065725.db2.gz FRFCBEPJJDKZGG-UHFFFAOYSA-N 2 1 334.467 3.163 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000057843954 454151289 /nfs/dbraw/zinc/15/12/89/454151289.db2.gz NZAXTJFCEZLAHL-UHFFFAOYSA-N 2 1 332.488 3.172 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000057843954 454151292 /nfs/dbraw/zinc/15/12/92/454151292.db2.gz NZAXTJFCEZLAHL-UHFFFAOYSA-N 2 1 332.488 3.172 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000089510719 454157641 /nfs/dbraw/zinc/15/76/41/454157641.db2.gz ODHWJNYIKMVRQV-FUHIMQAGSA-N 2 1 343.515 3.131 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000130721644 454213914 /nfs/dbraw/zinc/21/39/14/454213914.db2.gz WVTUTAJPTSFDIT-IRXDYDNUSA-N 2 1 342.487 3.088 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000130721644 454213919 /nfs/dbraw/zinc/21/39/19/454213919.db2.gz WVTUTAJPTSFDIT-IRXDYDNUSA-N 2 1 342.487 3.088 20 0 EGADMP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000191059625 455434268 /nfs/dbraw/zinc/43/42/68/455434268.db2.gz FFJCIDNJYORGTB-BURNTYAHSA-N 2 1 333.564 3.469 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000061016561 454323935 /nfs/dbraw/zinc/32/39/35/454323935.db2.gz VALPABGIBURCNN-UHFFFAOYSA-N 2 1 338.879 3.465 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc(=O)oc2c1 ZINC000072718902 454332516 /nfs/dbraw/zinc/33/25/16/454332516.db2.gz BPGUPMAJTRNOKI-QGZVFWFLSA-N 2 1 340.467 3.409 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc(=O)oc2c1 ZINC000072718902 454332522 /nfs/dbraw/zinc/33/25/22/454332522.db2.gz BPGUPMAJTRNOKI-QGZVFWFLSA-N 2 1 340.467 3.409 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000047148320 454333858 /nfs/dbraw/zinc/33/38/58/454333858.db2.gz BSMNTEUTFCFHLG-GOSISDBHSA-N 2 1 343.515 3.134 20 0 EGADMP CCC[N@@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)C1CC[NH2+]CC1 ZINC000097095612 454405269 /nfs/dbraw/zinc/40/52/69/454405269.db2.gz AGRAWFTYSVPCMB-HXUWFJFHSA-N 2 1 332.488 3.208 20 0 EGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)CCCC[NH+](C)C)cc2)C1 ZINC000073303311 454418589 /nfs/dbraw/zinc/41/85/89/454418589.db2.gz HXWUGHKSFIVXIX-QGZVFWFLSA-N 2 1 347.503 3.078 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000121499964 454444273 /nfs/dbraw/zinc/44/42/73/454444273.db2.gz JVUVUWDEXVGJIL-IAGOWNOFSA-N 2 1 337.471 3.423 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000074188714 454542052 /nfs/dbraw/zinc/54/20/52/454542052.db2.gz XVDQSXKVQLUKGS-UHFFFAOYSA-N 2 1 342.487 3.035 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000074188714 454542056 /nfs/dbraw/zinc/54/20/56/454542056.db2.gz XVDQSXKVQLUKGS-UHFFFAOYSA-N 2 1 342.487 3.035 20 0 EGADMP CC[C@]1(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CCC[NH2+]1 ZINC000134563823 454560770 /nfs/dbraw/zinc/56/07/70/454560770.db2.gz KIFPGSFTLLZYQS-LAUBAEHRSA-N 2 1 343.515 3.209 20 0 EGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000104136974 454575266 /nfs/dbraw/zinc/57/52/66/454575266.db2.gz BUGFAFWMYHGNCY-IBGZPJMESA-N 2 1 331.504 3.019 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000123170775 454610465 /nfs/dbraw/zinc/61/04/65/454610465.db2.gz WVHNFORIRHSYEJ-RTWAWAEBSA-N 2 1 343.559 3.432 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000123234488 454618626 /nfs/dbraw/zinc/61/86/26/454618626.db2.gz UXPDEJKZGPPKHG-IKGGRYGDSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000123234488 454618629 /nfs/dbraw/zinc/61/86/29/454618629.db2.gz UXPDEJKZGPPKHG-IKGGRYGDSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000123234488 454618631 /nfs/dbraw/zinc/61/86/31/454618631.db2.gz UXPDEJKZGPPKHG-IKGGRYGDSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000123234488 454618636 /nfs/dbraw/zinc/61/86/36/454618636.db2.gz UXPDEJKZGPPKHG-IKGGRYGDSA-N 2 1 339.524 3.048 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)s1 ZINC000092746321 454624118 /nfs/dbraw/zinc/62/41/18/454624118.db2.gz CSWITFUJXQXBLL-ZBFHGGJFSA-N 2 1 339.549 3.411 20 0 EGADMP CCc1noc([C@@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092821557 454642373 /nfs/dbraw/zinc/64/23/73/454642373.db2.gz CRRVFAVHUHNSPW-OAHLLOKOSA-N 2 1 343.475 3.327 20 0 EGADMP CCc1noc([C@@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092821557 454642377 /nfs/dbraw/zinc/64/23/77/454642377.db2.gz CRRVFAVHUHNSPW-OAHLLOKOSA-N 2 1 343.475 3.327 20 0 EGADMP Cc1ccc(-c2ccc(C[NH+]3CCC([NH2+]CCO)CC3)s2)cc1 ZINC000635001458 460646997 /nfs/dbraw/zinc/64/69/97/460646997.db2.gz SRGCMSZPXAGLOA-UHFFFAOYSA-N 2 1 330.497 3.270 20 0 EGADMP OCC[NH2+]C1CC[NH+](Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000635001297 460647125 /nfs/dbraw/zinc/64/71/25/460647125.db2.gz NFOMGDZSXFECCC-UHFFFAOYSA-N 2 1 334.460 3.101 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](COC)Cc2ccccc2)c1 ZINC000123945587 454688788 /nfs/dbraw/zinc/68/87/88/454688788.db2.gz TXXWOAUKIAAXHU-NRFANRHFSA-N 2 1 326.484 3.486 20 0 EGADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000106485484 454696711 /nfs/dbraw/zinc/69/67/11/454696711.db2.gz CYHUXIPVEOLBQV-OAHLLOKOSA-N 2 1 347.890 3.326 20 0 EGADMP Cc1cc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc(C)c1F ZINC000124536427 454745863 /nfs/dbraw/zinc/74/58/63/454745863.db2.gz WRABDIBBORTXBU-KRWDZBQOSA-N 2 1 335.511 3.367 20 0 EGADMP CCC[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124749632 454766702 /nfs/dbraw/zinc/76/67/02/454766702.db2.gz HEVAFKFCCFIERM-WDSOQIARSA-N 2 1 337.552 3.218 20 0 EGADMP Cc1nc(CCN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000124766962 454768365 /nfs/dbraw/zinc/76/83/65/454768365.db2.gz MVWBRNTTYHKSOH-SFHVURJKSA-N 2 1 329.513 3.448 20 0 EGADMP Cc1nc(CC[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000124766962 454768376 /nfs/dbraw/zinc/76/83/76/454768376.db2.gz MVWBRNTTYHKSOH-SFHVURJKSA-N 2 1 329.513 3.448 20 0 EGADMP Cc1nc(CC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000124766962 454768379 /nfs/dbraw/zinc/76/83/79/454768379.db2.gz MVWBRNTTYHKSOH-SFHVURJKSA-N 2 1 329.513 3.448 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000125073288 454795525 /nfs/dbraw/zinc/79/55/25/454795525.db2.gz PSAUMABUXZBHOF-YESZJQIVSA-N 2 1 339.524 3.238 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000125073288 454795528 /nfs/dbraw/zinc/79/55/28/454795528.db2.gz PSAUMABUXZBHOF-YESZJQIVSA-N 2 1 339.524 3.238 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000125073288 454795532 /nfs/dbraw/zinc/79/55/32/454795532.db2.gz PSAUMABUXZBHOF-YESZJQIVSA-N 2 1 339.524 3.238 20 0 EGADMP C(CC[N@H+]1CCOC2(CCCC2)C1)C[NH+]1CCOC2(CCCC2)C1 ZINC000139680172 454810358 /nfs/dbraw/zinc/81/03/58/454810358.db2.gz MBLLMCGLYGZKFJ-UHFFFAOYSA-N 2 1 336.520 3.057 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000125433652 454821347 /nfs/dbraw/zinc/82/13/47/454821347.db2.gz XWASLMKKNHLJAH-UHFFFAOYSA-N 2 1 346.906 3.443 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000125497955 454826507 /nfs/dbraw/zinc/82/65/07/454826507.db2.gz YXJOQRPLQKRXHR-KRWDZBQOSA-N 2 1 325.456 3.044 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000125497955 454826509 /nfs/dbraw/zinc/82/65/09/454826509.db2.gz YXJOQRPLQKRXHR-KRWDZBQOSA-N 2 1 325.456 3.044 20 0 EGADMP Cc1nc(C)c(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)s1 ZINC000177257249 454843262 /nfs/dbraw/zinc/84/32/62/454843262.db2.gz HRUWXNSUGAWFFI-UHFFFAOYSA-N 2 1 344.528 3.294 20 0 EGADMP Cc1nc(C)c(CN(C)C2CC[NH+](CCc3ccccn3)CC2)s1 ZINC000177257249 454843266 /nfs/dbraw/zinc/84/32/66/454843266.db2.gz HRUWXNSUGAWFFI-UHFFFAOYSA-N 2 1 344.528 3.294 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000125762933 454844558 /nfs/dbraw/zinc/84/45/58/454844558.db2.gz GFSPORZIXPLOHN-IRXDYDNUSA-N 2 1 345.487 3.414 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(OC)c2)[C@H](C)C1 ZINC000177343103 454853788 /nfs/dbraw/zinc/85/37/88/454853788.db2.gz MQPNNBMIWNRHRA-FUHIMQAGSA-N 2 1 334.504 3.483 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000110822073 454854011 /nfs/dbraw/zinc/85/40/11/454854011.db2.gz LWWJBLDUEADHDZ-KRWDZBQOSA-N 2 1 337.305 3.380 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000177473910 454867971 /nfs/dbraw/zinc/86/79/71/454867971.db2.gz IJGAWIWUGQMYIK-MISYRCLQSA-N 2 1 343.515 3.030 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000177473910 454867973 /nfs/dbraw/zinc/86/79/73/454867973.db2.gz IJGAWIWUGQMYIK-MISYRCLQSA-N 2 1 343.515 3.030 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000177473910 454867976 /nfs/dbraw/zinc/86/79/76/454867976.db2.gz IJGAWIWUGQMYIK-MISYRCLQSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000164180613 454876145 /nfs/dbraw/zinc/87/61/45/454876145.db2.gz HHESCWFJXWIJLA-NQIIRXRSSA-N 3 1 329.532 3.492 20 0 EGADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000164180613 454876150 /nfs/dbraw/zinc/87/61/50/454876150.db2.gz HHESCWFJXWIJLA-NQIIRXRSSA-N 2 1 329.532 3.492 20 0 EGADMP CC[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000126416260 454892170 /nfs/dbraw/zinc/89/21/70/454892170.db2.gz LVFLJRWHSOWJGR-LPHOPBHVSA-N 2 1 331.504 3.017 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000112683970 454896509 /nfs/dbraw/zinc/89/65/09/454896509.db2.gz HPMJXMNWNGLPOZ-OAQYLSRUSA-N 2 1 346.515 3.026 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)[C@H](C)C1 ZINC000177910799 454918683 /nfs/dbraw/zinc/91/86/83/454918683.db2.gz IHHQHJVGZOOIEB-PBHICJAKSA-N 2 1 337.895 3.379 20 0 EGADMP CCC[N@@H+](CC)CCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000151062042 454932316 /nfs/dbraw/zinc/93/23/16/454932316.db2.gz DUFSPIYUEIBMCK-UHFFFAOYSA-N 2 1 346.563 3.039 20 0 EGADMP CCCN(CC)CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000151062042 454932321 /nfs/dbraw/zinc/93/23/21/454932321.db2.gz DUFSPIYUEIBMCK-UHFFFAOYSA-N 2 1 346.563 3.039 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)CCCOC)CC2)cs1 ZINC000178092616 454934392 /nfs/dbraw/zinc/93/43/92/454934392.db2.gz WBZJPHFJBSOJNU-HNNXBMFYSA-N 2 1 339.549 3.322 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC000113934063 454939019 /nfs/dbraw/zinc/93/90/19/454939019.db2.gz WAOBUVXLJVAVKW-CEWLAPEOSA-N 2 1 330.516 3.176 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000113934063 454939022 /nfs/dbraw/zinc/93/90/22/454939022.db2.gz WAOBUVXLJVAVKW-CEWLAPEOSA-N 2 1 330.516 3.176 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000113934063 454939026 /nfs/dbraw/zinc/93/90/26/454939026.db2.gz WAOBUVXLJVAVKW-CEWLAPEOSA-N 2 1 330.516 3.176 20 0 EGADMP CCC[N@H+](CCCn1cc[nH+]c1C)C[C@@H]1COc2ccccc2O1 ZINC000127301247 454953264 /nfs/dbraw/zinc/95/32/64/454953264.db2.gz ZLXBDKDDRFYRAI-QGZVFWFLSA-N 2 1 329.444 3.134 20 0 EGADMP CCC[N@@H+](CCCn1cc[nH+]c1C)C[C@@H]1COc2ccccc2O1 ZINC000127301247 454953267 /nfs/dbraw/zinc/95/32/67/454953267.db2.gz ZLXBDKDDRFYRAI-QGZVFWFLSA-N 2 1 329.444 3.134 20 0 EGADMP Cn1cccc1CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000151369383 454975719 /nfs/dbraw/zinc/97/57/19/454975719.db2.gz GCMPONDMSJRQDT-UHFFFAOYSA-N 2 1 326.488 3.415 20 0 EGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000128585534 455069635 /nfs/dbraw/zinc/06/96/35/455069635.db2.gz GRBWEGMUBKQMRG-GOSISDBHSA-N 2 1 329.532 3.244 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1OC(F)F ZINC000623655163 460660833 /nfs/dbraw/zinc/66/08/33/460660833.db2.gz PSKIPEAYLSEURL-CQSZACIVSA-N 2 1 328.403 3.118 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000117985491 455097436 /nfs/dbraw/zinc/09/74/36/455097436.db2.gz QETBHJSQMWVEPY-FGTMMUONSA-N 2 1 337.552 3.218 20 0 EGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000117985491 455097440 /nfs/dbraw/zinc/09/74/40/455097440.db2.gz QETBHJSQMWVEPY-FGTMMUONSA-N 2 1 337.552 3.218 20 0 EGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000117985491 455097445 /nfs/dbraw/zinc/09/74/45/455097445.db2.gz QETBHJSQMWVEPY-FGTMMUONSA-N 2 1 337.552 3.218 20 0 EGADMP C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118841200 455113347 /nfs/dbraw/zinc/11/33/47/455113347.db2.gz JSXMXCQYIGBPHT-HNNXBMFYSA-N 2 1 330.394 3.401 20 0 EGADMP C[NH+](Cc1ccc(OCC(F)(F)F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118841200 455113350 /nfs/dbraw/zinc/11/33/50/455113350.db2.gz JSXMXCQYIGBPHT-HNNXBMFYSA-N 2 1 330.394 3.401 20 0 EGADMP C[NH+](Cc1ccc(OCC(F)(F)F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841200 455113353 /nfs/dbraw/zinc/11/33/53/455113353.db2.gz JSXMXCQYIGBPHT-HNNXBMFYSA-N 2 1 330.394 3.401 20 0 EGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccncc1 ZINC000156440861 455118780 /nfs/dbraw/zinc/11/87/80/455118780.db2.gz VWQUOTAREMFTCB-WIYYLYMNSA-N 2 1 338.499 3.111 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c(C)c1 ZINC000156543895 455130764 /nfs/dbraw/zinc/13/07/64/455130764.db2.gz DJSLLUHBKWITAN-VDZJLULYSA-N 2 1 340.471 3.410 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)N2CC[C@H](C)[C@H](n3ccnc3)C2)c(C)c1 ZINC000156543895 455130769 /nfs/dbraw/zinc/13/07/69/455130769.db2.gz DJSLLUHBKWITAN-VDZJLULYSA-N 2 1 340.471 3.410 20 0 EGADMP COc1ccccc1[C@H](CN[C@H]1CC[N@@H+](C)C[C@@H]1C)[NH+]1CCCCC1 ZINC000119197882 455131603 /nfs/dbraw/zinc/13/16/03/455131603.db2.gz AWBSGPOGXZPPBY-IHPCNDPISA-N 2 1 345.531 3.152 20 0 EGADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000623657081 460664967 /nfs/dbraw/zinc/66/49/67/460664967.db2.gz JHMXZHVAXHBCGY-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000623657081 460664973 /nfs/dbraw/zinc/66/49/73/460664973.db2.gz JHMXZHVAXHBCGY-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000623657081 460664978 /nfs/dbraw/zinc/66/49/78/460664978.db2.gz JHMXZHVAXHBCGY-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000623657081 460664982 /nfs/dbraw/zinc/66/49/82/460664982.db2.gz JHMXZHVAXHBCGY-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000623657081 460664985 /nfs/dbraw/zinc/66/49/85/460664985.db2.gz JHMXZHVAXHBCGY-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000623657081 460664990 /nfs/dbraw/zinc/66/49/90/460664990.db2.gz JHMXZHVAXHBCGY-HMXCVIKNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000623657081 460664993 /nfs/dbraw/zinc/66/49/93/460664993.db2.gz JHMXZHVAXHBCGY-HMXCVIKNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000623657081 460664996 /nfs/dbraw/zinc/66/49/96/460664996.db2.gz JHMXZHVAXHBCGY-HMXCVIKNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000623657081 460665001 /nfs/dbraw/zinc/66/50/01/460665001.db2.gz JHMXZHVAXHBCGY-HMXCVIKNSA-N 3 1 329.532 3.361 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Br)cs1 ZINC000237354145 455176546 /nfs/dbraw/zinc/17/65/46/455176546.db2.gz NNXVXNCGVXYPOY-JTQLQIEISA-N 2 1 328.279 3.441 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000237535778 455192948 /nfs/dbraw/zinc/19/29/48/455192948.db2.gz PEVVDAGLESNBHO-IEBWSBKVSA-N 2 1 331.504 3.095 20 0 EGADMP C[C@H]1C[C@H](N(C)C(=O)CCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000237582938 455196135 /nfs/dbraw/zinc/19/61/35/455196135.db2.gz SXSSPFGMHXQAPL-AZUAARDMSA-N 2 1 345.531 3.407 20 0 EGADMP C[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000189446689 455197940 /nfs/dbraw/zinc/19/79/40/455197940.db2.gz VVJJNPKSIALLOF-CQSZACIVSA-N 2 1 328.287 3.256 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657765 460666344 /nfs/dbraw/zinc/66/63/44/460666344.db2.gz YOLWBJZFVGQYCQ-MRXNPFEDSA-N 2 1 330.451 3.141 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657765 460666347 /nfs/dbraw/zinc/66/63/47/460666347.db2.gz YOLWBJZFVGQYCQ-MRXNPFEDSA-N 2 1 330.451 3.141 20 0 EGADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)n1 ZINC000245305032 455281965 /nfs/dbraw/zinc/28/19/65/455281965.db2.gz HRBXCNAGMIKIGO-FPOVZHCZSA-N 2 1 338.499 3.248 20 0 EGADMP CC(C)N1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)C1=O ZINC000245478349 455310435 /nfs/dbraw/zinc/31/04/35/455310435.db2.gz VJMOVUBXYSAYLG-XLIONFOSSA-N 2 1 343.515 3.160 20 0 EGADMP CC(=O)c1ccc(NC(=O)CCN(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000173635489 455320105 /nfs/dbraw/zinc/32/01/05/455320105.db2.gz YIGYBMYYSRUYIR-IBGZPJMESA-N 2 1 345.487 3.024 20 0 EGADMP CC(=O)c1ccc(NC(=O)CC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000173635489 455320106 /nfs/dbraw/zinc/32/01/06/455320106.db2.gz YIGYBMYYSRUYIR-IBGZPJMESA-N 2 1 345.487 3.024 20 0 EGADMP CC(=O)c1ccc(NC(=O)CC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000173635489 455320107 /nfs/dbraw/zinc/32/01/07/455320107.db2.gz YIGYBMYYSRUYIR-IBGZPJMESA-N 2 1 345.487 3.024 20 0 EGADMP CC(=O)c1ccc(NC(=O)CC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000173635489 455320108 /nfs/dbraw/zinc/32/01/08/455320108.db2.gz YIGYBMYYSRUYIR-IBGZPJMESA-N 2 1 345.487 3.024 20 0 EGADMP CC(=O)c1ccc(NC(=O)CC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000173635489 455320109 /nfs/dbraw/zinc/32/01/09/455320109.db2.gz YIGYBMYYSRUYIR-IBGZPJMESA-N 2 1 345.487 3.024 20 0 EGADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000181410302 455330825 /nfs/dbraw/zinc/33/08/25/455330825.db2.gz GJWDZCWGXNQEIW-UFYCRDLUSA-N 2 1 344.499 3.258 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000184316565 455370431 /nfs/dbraw/zinc/37/04/31/455370431.db2.gz YAAIMDKKGYUNPH-HZPDHXFCSA-N 2 1 339.524 3.096 20 0 EGADMP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1(C)C ZINC000181740515 455378250 /nfs/dbraw/zinc/37/82/50/455378250.db2.gz OFLCKASBIXIPQD-MSOLQXFVSA-N 2 1 349.519 3.297 20 0 EGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccccn1 ZINC000245835887 455383425 /nfs/dbraw/zinc/38/34/25/455383425.db2.gz AOYLCNKVDJCYOM-NQIIRXRSSA-N 2 1 338.499 3.111 20 0 EGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000265883622 455397997 /nfs/dbraw/zinc/39/79/97/455397997.db2.gz PCRJAXJGAHRYLN-FPOVZHCZSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000265883622 455398002 /nfs/dbraw/zinc/39/80/02/455398002.db2.gz PCRJAXJGAHRYLN-FPOVZHCZSA-N 2 1 349.478 3.141 20 0 EGADMP C[C@H](NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(F)c1F ZINC000181958096 455404598 /nfs/dbraw/zinc/40/45/98/455404598.db2.gz ITXANKGPIFSSQL-WMLDXEAASA-N 2 1 346.421 3.035 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1cccc(F)c1F ZINC000181958096 455404602 /nfs/dbraw/zinc/40/46/02/455404602.db2.gz ITXANKGPIFSSQL-WMLDXEAASA-N 2 1 346.421 3.035 20 0 EGADMP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000246288637 455464679 /nfs/dbraw/zinc/46/46/79/455464679.db2.gz OQNIKYSCAMROBV-MRXNPFEDSA-N 2 1 329.488 3.484 20 0 EGADMP CC(C)(C)[C@H](CCO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000185197803 455519899 /nfs/dbraw/zinc/51/98/99/455519899.db2.gz FQTJVTYERRLDQV-HAGHYFMRSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247133153 455565109 /nfs/dbraw/zinc/56/51/09/455565109.db2.gz ZVSVKQJSVXYBQE-SLHNCBLASA-N 2 1 349.563 3.361 20 0 EGADMP C[C@@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000247133153 455565116 /nfs/dbraw/zinc/56/51/16/455565116.db2.gz ZVSVKQJSVXYBQE-SLHNCBLASA-N 2 1 349.563 3.361 20 0 EGADMP C[C@@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000247133153 455565119 /nfs/dbraw/zinc/56/51/19/455565119.db2.gz ZVSVKQJSVXYBQE-SLHNCBLASA-N 2 1 349.563 3.361 20 0 EGADMP Cc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000247138886 455565314 /nfs/dbraw/zinc/56/53/14/455565314.db2.gz WBGGPKDBIBWELF-JYRKZWEQSA-N 2 1 329.532 3.450 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2F)[C@@H](C)C1 ZINC000247150001 455565695 /nfs/dbraw/zinc/56/56/95/455565695.db2.gz SVCTUTLUUFGRPF-QKLQHJQFSA-N 2 1 336.495 3.483 20 0 EGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccoc1 ZINC000247150847 455565729 /nfs/dbraw/zinc/56/57/29/455565729.db2.gz SXWNCXWAHWGZSW-PXNSSMCTSA-N 2 1 327.472 3.309 20 0 EGADMP CC(C)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCC1 ZINC000247186134 455570135 /nfs/dbraw/zinc/57/01/35/455570135.db2.gz VMGYJLFDADWUQS-NRSPTQNISA-N 2 1 344.547 3.002 20 0 EGADMP CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185710949 455602917 /nfs/dbraw/zinc/60/29/17/455602917.db2.gz UVYCSXSHNMBMRG-RCCFBDPRSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185710949 455602922 /nfs/dbraw/zinc/60/29/22/455602922.db2.gz UVYCSXSHNMBMRG-RCCFBDPRSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccs1 ZINC000185718259 455604151 /nfs/dbraw/zinc/60/41/51/455604151.db2.gz XDHQEPJDWJQSGT-ARFHVFGLSA-N 2 1 349.544 3.168 20 0 EGADMP C[C@@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccs1 ZINC000185718259 455604160 /nfs/dbraw/zinc/60/41/60/455604160.db2.gz XDHQEPJDWJQSGT-ARFHVFGLSA-N 2 1 349.544 3.168 20 0 EGADMP C[C@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185767179 455618233 /nfs/dbraw/zinc/61/82/33/455618233.db2.gz MPKLUMRPMDMLHM-JKSUJKDBSA-N 2 1 347.478 3.397 20 0 EGADMP C[C@@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185767232 455618528 /nfs/dbraw/zinc/61/85/28/455618528.db2.gz MPKLUMRPMDMLHM-CVEARBPZSA-N 2 1 347.478 3.397 20 0 EGADMP C[C@@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000284172771 455645667 /nfs/dbraw/zinc/64/56/67/455645667.db2.gz QWEHMCAUSBAADZ-HNNXBMFYSA-N 2 1 328.460 3.461 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000271471529 455649908 /nfs/dbraw/zinc/64/99/08/455649908.db2.gz IJBBDOQZWIQVDH-OJAHFUOMSA-N 2 1 341.503 3.027 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000271471529 455649910 /nfs/dbraw/zinc/64/99/10/455649910.db2.gz IJBBDOQZWIQVDH-OJAHFUOMSA-N 2 1 341.503 3.027 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1Cl ZINC000247954135 455659540 /nfs/dbraw/zinc/65/95/40/455659540.db2.gz FIIARRFAZJGLCR-ZFWWWQNUSA-N 2 1 328.859 3.367 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc(F)c(F)c(F)c1 ZINC000271500676 455661870 /nfs/dbraw/zinc/66/18/70/455661870.db2.gz LWFOHIJMCFVNDX-JECHBYEQSA-N 2 1 342.405 3.132 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2cccc(OC)c2)[C@H](C)C1 ZINC000271523723 455671367 /nfs/dbraw/zinc/67/13/67/455671367.db2.gz VJBVBINQAWACET-NQIIRXRSSA-N 2 1 348.531 3.354 20 0 EGADMP CC(C)Oc1cccc(C[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000192778640 455691201 /nfs/dbraw/zinc/69/12/01/455691201.db2.gz QOIXXRGQCPALRK-UHFFFAOYSA-N 2 1 347.547 3.322 20 0 EGADMP CC[NH+](CC)Cc1ccc(CNC(=O)Cn2cc[nH+]c2C(C)C)cc1 ZINC000635133443 460686243 /nfs/dbraw/zinc/68/62/43/460686243.db2.gz DTRQSDKETYYCHQ-UHFFFAOYSA-N 2 1 342.487 3.165 20 0 EGADMP CSc1cccc(NC(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000248179710 455694731 /nfs/dbraw/zinc/69/47/31/455694731.db2.gz WESYGGOQZNJSMR-DAYGRLMNSA-N 2 1 347.528 3.152 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1F ZINC000248450989 455715859 /nfs/dbraw/zinc/71/58/59/455715859.db2.gz PHPVIVWZSIHPRO-CRAIPNDOSA-N 2 1 328.431 3.243 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(F)cc1Br ZINC000268969372 455749435 /nfs/dbraw/zinc/74/94/35/455749435.db2.gz MLFJZMGTDSRWCH-UHFFFAOYSA-N 2 1 326.213 3.273 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC000271768622 455752970 /nfs/dbraw/zinc/75/29/70/455752970.db2.gz BDERIGDLMQVTPC-UHFFFAOYSA-N 2 1 329.669 3.454 20 0 EGADMP COc1ccncc1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292779721 455755011 /nfs/dbraw/zinc/75/50/11/455755011.db2.gz TZMVWJOVBYLCJG-APWZRJJASA-N 2 1 325.456 3.233 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](OC(C)C)c2ccccc2OC)[C@H](C)C1 ZINC000186376548 455755466 /nfs/dbraw/zinc/75/54/66/455755466.db2.gz JYTGSWILJIJQIT-KPFFTGBYSA-N 2 1 334.504 3.481 20 0 EGADMP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000249973069 455784134 /nfs/dbraw/zinc/78/41/34/455784134.db2.gz KOSFVPRLLNQKKB-JRSUCEMESA-N 2 1 328.500 3.038 20 0 EGADMP CCC[NH+](CCC)CCC[NH2+]Cc1cncc(Br)c1 ZINC000186618925 455805972 /nfs/dbraw/zinc/80/59/72/455805972.db2.gz NKJXRKLBZPWJOM-UHFFFAOYSA-N 2 1 328.298 3.446 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCc3ccc(O)cc32)C[C@H](C)O1 ZINC000285314834 455822951 /nfs/dbraw/zinc/82/29/51/455822951.db2.gz SUFZFIXCFYHPDW-GQIGUUNPSA-N 2 1 332.488 3.249 20 0 EGADMP COc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252840706 455830611 /nfs/dbraw/zinc/83/06/11/455830611.db2.gz BTHNFCYBDXLXQW-TUKIKUTGSA-N 2 1 339.277 3.017 20 0 EGADMP COc1ccc(Br)cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252840706 455830612 /nfs/dbraw/zinc/83/06/12/455830612.db2.gz BTHNFCYBDXLXQW-TUKIKUTGSA-N 2 1 339.277 3.017 20 0 EGADMP O=C(CC[NH+]1CCC([NH2+]CC2CC2)CC1)Nc1ccccc1Cl ZINC000261681967 455928025 /nfs/dbraw/zinc/92/80/25/455928025.db2.gz IBYFGAKMLBEAEW-UHFFFAOYSA-N 2 1 335.879 3.133 20 0 EGADMP Cc1ccc(O)c(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000261753818 455941031 /nfs/dbraw/zinc/94/10/31/455941031.db2.gz WUTUZFKKCJAGFT-SFHVURJKSA-N 2 1 343.496 3.301 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@H]2CC[NH3+])cc1)C(C)C ZINC000285951727 455948486 /nfs/dbraw/zinc/94/84/86/455948486.db2.gz GJSYPWHZNRRDOU-IBGZPJMESA-N 2 1 331.504 3.260 20 0 EGADMP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)C1CCOCC1 ZINC000187767291 455950343 /nfs/dbraw/zinc/95/03/43/455950343.db2.gz WPZVVOJEGRUKDL-FQEVSTJZSA-N 2 1 334.504 3.058 20 0 EGADMP C[C@@H](c1nc(C2(N)CCC2)no1)N1CCC(Cc2ccccc2)CC1 ZINC000261804143 455951243 /nfs/dbraw/zinc/95/12/43/455951243.db2.gz PHTOBCXJBVGBBK-HNNXBMFYSA-N 2 1 340.471 3.423 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1 ZINC000261815453 455953819 /nfs/dbraw/zinc/95/38/19/455953819.db2.gz NRRPARNDSYUPLK-APWZRJJASA-N 2 1 331.504 3.118 20 0 EGADMP COc1nccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000296503373 455957502 /nfs/dbraw/zinc/95/75/02/455957502.db2.gz RDIWZFRLPUNWLL-INIZCTEOSA-N 2 1 340.471 3.007 20 0 EGADMP COc1nccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)n1 ZINC000296503373 455957505 /nfs/dbraw/zinc/95/75/05/455957505.db2.gz RDIWZFRLPUNWLL-INIZCTEOSA-N 2 1 340.471 3.007 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000261858232 455960683 /nfs/dbraw/zinc/96/06/83/455960683.db2.gz FOMYEEDXNNCKNJ-NWDGAFQWSA-N 2 1 344.286 3.381 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)c3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000270465922 455961253 /nfs/dbraw/zinc/96/12/53/455961253.db2.gz YBFOLVWIZNOLET-CSMYWGQOSA-N 2 1 343.298 3.443 20 0 EGADMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000270465922 455961258 /nfs/dbraw/zinc/96/12/58/455961258.db2.gz YBFOLVWIZNOLET-CSMYWGQOSA-N 2 1 343.298 3.443 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000270465922 455961266 /nfs/dbraw/zinc/96/12/66/455961266.db2.gz YBFOLVWIZNOLET-CSMYWGQOSA-N 2 1 343.298 3.443 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000270465922 455961270 /nfs/dbraw/zinc/96/12/70/455961270.db2.gz YBFOLVWIZNOLET-CSMYWGQOSA-N 2 1 343.298 3.443 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000270465922 455961274 /nfs/dbraw/zinc/96/12/74/455961274.db2.gz YBFOLVWIZNOLET-CSMYWGQOSA-N 2 1 343.298 3.443 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1(C(=O)OC)CCC1 ZINC000272485560 455967177 /nfs/dbraw/zinc/96/71/77/455967177.db2.gz JTVUAAFJYGQRMY-LJQANCHMSA-N 2 1 344.499 3.363 20 0 EGADMP COc1cccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000272489214 455968354 /nfs/dbraw/zinc/96/83/54/455968354.db2.gz MWABVAUCUMSZRU-AEFFLSMTSA-N 2 1 325.456 3.090 20 0 EGADMP COc1cccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000272489214 455968360 /nfs/dbraw/zinc/96/83/60/455968360.db2.gz MWABVAUCUMSZRU-AEFFLSMTSA-N 2 1 325.456 3.090 20 0 EGADMP Clc1ccc(O[C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000261914732 455970281 /nfs/dbraw/zinc/97/02/81/455970281.db2.gz JTNBOHYETIZIHL-TZMCWYRMSA-N 2 1 329.271 3.446 20 0 EGADMP Cc1ccccc1-c1cccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262096605 455996891 /nfs/dbraw/zinc/99/68/91/455996891.db2.gz IBAAEBSQDWYCRQ-OAQYLSRUSA-N 2 1 335.495 3.142 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(CC[NH2+]C)CC2)cc1 ZINC000262143004 456003460 /nfs/dbraw/zinc/00/34/60/456003460.db2.gz XZJQEOGOAHSYCY-UHFFFAOYSA-N 2 1 345.531 3.380 20 0 EGADMP Cc1nccn1CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272653798 456026985 /nfs/dbraw/zinc/02/69/85/456026985.db2.gz GHUYVYPEYQIHCD-NJDAHSKKSA-N 2 1 338.499 3.082 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272653798 456026989 /nfs/dbraw/zinc/02/69/89/456026989.db2.gz GHUYVYPEYQIHCD-NJDAHSKKSA-N 3 1 338.499 3.082 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272653798 456026994 /nfs/dbraw/zinc/02/69/94/456026994.db2.gz GHUYVYPEYQIHCD-NJDAHSKKSA-N 3 1 338.499 3.082 20 0 EGADMP OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000286358585 456032446 /nfs/dbraw/zinc/03/24/46/456032446.db2.gz ZBOBJEAHNQPOGO-ZSYZGHEHSA-N 2 1 340.511 3.204 20 0 EGADMP O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000262473161 456038966 /nfs/dbraw/zinc/03/89/66/456038966.db2.gz JJSKGHGPMHBPEO-BXUZGUMPSA-N 2 1 342.270 3.006 20 0 EGADMP O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000262473161 456038970 /nfs/dbraw/zinc/03/89/70/456038970.db2.gz JJSKGHGPMHBPEO-BXUZGUMPSA-N 2 1 342.270 3.006 20 0 EGADMP CCOc1c(OC)cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000222089926 456045188 /nfs/dbraw/zinc/04/51/88/456045188.db2.gz MHXGFRYENPQOEG-DLBZAZTESA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000222089926 456045193 /nfs/dbraw/zinc/04/51/93/456045193.db2.gz MHXGFRYENPQOEG-DLBZAZTESA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000222089926 456045198 /nfs/dbraw/zinc/04/51/98/456045198.db2.gz MHXGFRYENPQOEG-DLBZAZTESA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000222089926 456045202 /nfs/dbraw/zinc/04/52/02/456045202.db2.gz MHXGFRYENPQOEG-DLBZAZTESA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000222089926 456045208 /nfs/dbraw/zinc/04/52/08/456045208.db2.gz MHXGFRYENPQOEG-DLBZAZTESA-N 2 1 348.487 3.019 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccnc1Cl ZINC000272772245 456066408 /nfs/dbraw/zinc/06/64/08/456066408.db2.gz SWUUYZMQJIBRJC-WMLDXEAASA-N 2 1 345.874 3.152 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccnc1Cl ZINC000272772245 456066409 /nfs/dbraw/zinc/06/64/09/456066409.db2.gz SWUUYZMQJIBRJC-WMLDXEAASA-N 2 1 345.874 3.152 20 0 EGADMP CC(C)n1nccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000280890816 456073425 /nfs/dbraw/zinc/07/34/25/456073425.db2.gz NUXGSBAOKMNZAP-XLIONFOSSA-N 2 1 326.488 3.464 20 0 EGADMP CC(C)n1nccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000280890816 456073433 /nfs/dbraw/zinc/07/34/33/456073433.db2.gz NUXGSBAOKMNZAP-XLIONFOSSA-N 2 1 326.488 3.464 20 0 EGADMP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000263219958 456111270 /nfs/dbraw/zinc/11/12/70/456111270.db2.gz LSGJIHYSBLLATI-SLYNCCJLSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@H](CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[C@H]1CCC[NH2+]C1 ZINC000263265874 456117940 /nfs/dbraw/zinc/11/79/40/456117940.db2.gz NODCHSRCACGPEV-WTGUMLROSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC(C)(C)O ZINC000271168909 456152634 /nfs/dbraw/zinc/15/26/34/456152634.db2.gz PEVZCAFITJERHL-UHFFFAOYSA-N 2 1 347.547 3.200 20 0 EGADMP c1n[nH]cc1CC[NH2+][C@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000289866376 456160951 /nfs/dbraw/zinc/16/09/51/456160951.db2.gz RGCTYYXZSQJPLB-ACRUOGEOSA-N 2 1 338.499 3.233 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000289949664 456192812 /nfs/dbraw/zinc/19/28/12/456192812.db2.gz MCFIDQVKJPJVHN-AHRSYUTCSA-N 2 1 343.515 3.065 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000237152657 456238525 /nfs/dbraw/zinc/23/85/25/456238525.db2.gz FRVOXWCNWHAOGG-HXUWFJFHSA-N 2 1 343.515 3.209 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000302100950 456288065 /nfs/dbraw/zinc/28/80/65/456288065.db2.gz LVORXVACANBXBF-SJORKVTESA-N 2 1 341.540 3.103 20 0 EGADMP CN(C(=O)C[N@@H+](C)Cc1ccccc1)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000352786661 456306620 /nfs/dbraw/zinc/30/66/20/456306620.db2.gz ADYQMWBPYNSSPA-HXUWFJFHSA-N 2 1 348.450 3.090 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H](O)c1ccccc1 ZINC000290378229 456309809 /nfs/dbraw/zinc/30/98/09/456309809.db2.gz RQMABUBYWISPDJ-XMSQKQJNSA-N 2 1 338.495 3.405 20 0 EGADMP COc1ccc([C@H](C)CC[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352792854 456313575 /nfs/dbraw/zinc/31/35/75/456313575.db2.gz SHIXJRZTDSEZPF-CQSZACIVSA-N 2 1 333.501 3.497 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(C2CC2)c1 ZINC000340234057 456329263 /nfs/dbraw/zinc/32/92/63/456329263.db2.gz BDOMMAVBQNSSEQ-MRXNPFEDSA-N 2 1 343.515 3.157 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C(C)(C)OC)CC2)cs1 ZINC000340240004 456334683 /nfs/dbraw/zinc/33/46/83/456334683.db2.gz PSZWNCZBIQSACI-CQSZACIVSA-N 2 1 339.549 3.321 20 0 EGADMP CN(C)C(=O)C1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCCC1 ZINC000340240222 456334740 /nfs/dbraw/zinc/33/47/40/456334740.db2.gz GYCVWNXQFGQTHE-RBUKOAKNSA-N 2 1 343.515 3.060 20 0 EGADMP CN(C)C(=O)C1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCCC1 ZINC000340240222 456334742 /nfs/dbraw/zinc/33/47/42/456334742.db2.gz GYCVWNXQFGQTHE-RBUKOAKNSA-N 2 1 343.515 3.060 20 0 EGADMP Cc1noc(C)c1CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352822968 456338692 /nfs/dbraw/zinc/33/86/92/456338692.db2.gz JAYRWOWURLITOM-OAQYLSRUSA-N 2 1 339.483 3.432 20 0 EGADMP Cc1noc(C)c1CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352822968 456338697 /nfs/dbraw/zinc/33/86/97/456338697.db2.gz JAYRWOWURLITOM-OAQYLSRUSA-N 2 1 339.483 3.432 20 0 EGADMP Cc1noc(C)c1CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352822968 456338706 /nfs/dbraw/zinc/33/87/06/456338706.db2.gz JAYRWOWURLITOM-OAQYLSRUSA-N 2 1 339.483 3.432 20 0 EGADMP Cc1noc(C)c1CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352822968 456338712 /nfs/dbraw/zinc/33/87/12/456338712.db2.gz JAYRWOWURLITOM-OAQYLSRUSA-N 2 1 339.483 3.432 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+](CC)CC ZINC000347747341 456346492 /nfs/dbraw/zinc/34/64/92/456346492.db2.gz YTCRLORBLGOMBI-QUCCMNQESA-N 2 1 345.531 3.230 20 0 EGADMP CC(C)[N@@H+](C)CCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000298391250 456442622 /nfs/dbraw/zinc/44/26/22/456442622.db2.gz JMCSYHBYNCBGFY-UHFFFAOYSA-N 2 1 331.504 3.133 20 0 EGADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000348049837 456446077 /nfs/dbraw/zinc/44/60/77/456446077.db2.gz JUBADKWNIQZDGE-OAQYLSRUSA-N 2 1 326.484 3.159 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000348049837 456446080 /nfs/dbraw/zinc/44/60/80/456446080.db2.gz JUBADKWNIQZDGE-OAQYLSRUSA-N 2 1 326.484 3.159 20 0 EGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3c[nH]c4nccnc34)C2)c1 ZINC000290926974 456470876 /nfs/dbraw/zinc/47/08/76/456470876.db2.gz RKJZHSVYAGWSFM-CQSZACIVSA-N 2 1 341.484 3.021 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3c[nH]c4nccnc34)C2)c1 ZINC000290926974 456470883 /nfs/dbraw/zinc/47/08/83/456470883.db2.gz RKJZHSVYAGWSFM-CQSZACIVSA-N 2 1 341.484 3.021 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000298596332 456498570 /nfs/dbraw/zinc/49/85/70/456498570.db2.gz YTVSOTJYFMQHNZ-RTBURBONSA-N 2 1 345.531 3.122 20 0 EGADMP CCc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)o1 ZINC000343271526 456499265 /nfs/dbraw/zinc/49/92/65/456499265.db2.gz RIMKLIJGNILFTH-OAQYLSRUSA-N 2 1 341.499 3.310 20 0 EGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000276560249 456514813 /nfs/dbraw/zinc/51/48/13/456514813.db2.gz GEVXBZDPLQAFPP-XUVXKRRUSA-N 2 1 328.500 3.182 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000276560249 456514820 /nfs/dbraw/zinc/51/48/20/456514820.db2.gz GEVXBZDPLQAFPP-XUVXKRRUSA-N 2 1 328.500 3.182 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000312902004 456594774 /nfs/dbraw/zinc/59/47/74/456594774.db2.gz PRUJMYVIMJAGTN-GOSISDBHSA-N 2 1 346.906 3.427 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000312902004 456594784 /nfs/dbraw/zinc/59/47/84/456594784.db2.gz PRUJMYVIMJAGTN-GOSISDBHSA-N 2 1 346.906 3.427 20 0 EGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000353270661 456600855 /nfs/dbraw/zinc/60/08/55/456600855.db2.gz BLTRBRXLRNROGH-HXUWFJFHSA-N 2 1 346.515 3.456 20 0 EGADMP Cc1nc(C)c(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000348311614 456614980 /nfs/dbraw/zinc/61/49/80/456614980.db2.gz ZWDNRGZYBGEEHH-QZTJIDSGSA-N 2 1 327.497 3.324 20 0 EGADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000320718984 456631720 /nfs/dbraw/zinc/63/17/20/456631720.db2.gz VKXYKYLBBFPSDH-ZIFCJYIRSA-N 2 1 346.515 3.464 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(-c2cnn(C)c2)c1 ZINC000282853746 456646018 /nfs/dbraw/zinc/64/60/18/456646018.db2.gz TVKCZIINEGPQMD-GHTZIAJQSA-N 2 1 338.499 3.312 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2cnn(C)c2)c1 ZINC000282853746 456646027 /nfs/dbraw/zinc/64/60/27/456646027.db2.gz TVKCZIINEGPQMD-GHTZIAJQSA-N 2 1 338.499 3.312 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(-c2cnn(C)c2)c1 ZINC000282853746 456646037 /nfs/dbraw/zinc/64/60/37/456646037.db2.gz TVKCZIINEGPQMD-GHTZIAJQSA-N 2 1 338.499 3.312 20 0 EGADMP C[C@H](CCc1c(F)cccc1F)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000338000350 456647425 /nfs/dbraw/zinc/64/74/25/456647425.db2.gz QOLWLVPNGONYIJ-HZPDHXFCSA-N 2 1 340.458 3.112 20 0 EGADMP CCn1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1=O ZINC000348361471 456649809 /nfs/dbraw/zinc/64/98/09/456649809.db2.gz SPRHKWQDHSNZRP-HNNXBMFYSA-N 2 1 336.439 3.213 20 0 EGADMP CCN1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000343497160 456660616 /nfs/dbraw/zinc/66/06/16/456660616.db2.gz JYIZNRVHWYGSLO-LQWHRVPQSA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@H+]1C[C@H](NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000343497160 456660618 /nfs/dbraw/zinc/66/06/18/456660618.db2.gz JYIZNRVHWYGSLO-LQWHRVPQSA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@@H+]1C[C@H](NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000343497160 456660621 /nfs/dbraw/zinc/66/06/21/456660621.db2.gz JYIZNRVHWYGSLO-LQWHRVPQSA-N 2 1 329.532 3.348 20 0 EGADMP CC[NH+]1C[C@H](NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000343497160 456660624 /nfs/dbraw/zinc/66/06/24/456660624.db2.gz JYIZNRVHWYGSLO-LQWHRVPQSA-N 2 1 329.532 3.348 20 0 EGADMP CC[NH+]1C[C@H](NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000343497160 456660626 /nfs/dbraw/zinc/66/06/26/456660626.db2.gz JYIZNRVHWYGSLO-LQWHRVPQSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)C(C)(C)n1cncn1 ZINC000353407504 456680343 /nfs/dbraw/zinc/68/03/43/456680343.db2.gz BRJZCVXEPKKBBP-FUHWJXTLSA-N 2 1 333.524 3.036 20 0 EGADMP CC1CCC(O)(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000325814410 456688214 /nfs/dbraw/zinc/68/82/14/456688214.db2.gz RUBXJLRTDSTOGA-UHFFFAOYSA-N 2 1 330.516 3.224 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)cc1 ZINC000338181821 456688471 /nfs/dbraw/zinc/68/84/71/456688471.db2.gz DHSQRUVBOWQYTO-SJORKVTESA-N 2 1 331.504 3.083 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccccc1-n1ccnn1 ZINC000353451752 456698825 /nfs/dbraw/zinc/69/88/25/456698825.db2.gz XUZCVYYFVFCUIE-SJORKVTESA-N 2 1 327.476 3.182 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000343559455 456705468 /nfs/dbraw/zinc/70/54/68/456705468.db2.gz DKEVYTZPWNFDCD-KRWDZBQOSA-N 2 1 331.504 3.017 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000343559455 456705472 /nfs/dbraw/zinc/70/54/72/456705472.db2.gz DKEVYTZPWNFDCD-KRWDZBQOSA-N 2 1 331.504 3.017 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000343559455 456705480 /nfs/dbraw/zinc/70/54/80/456705480.db2.gz DKEVYTZPWNFDCD-KRWDZBQOSA-N 2 1 331.504 3.017 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000343559409 456705693 /nfs/dbraw/zinc/70/56/93/456705693.db2.gz DCCXOFZVRGGJBC-XLIONFOSSA-N 2 1 330.472 3.373 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000277216110 456727647 /nfs/dbraw/zinc/72/76/47/456727647.db2.gz NQMHCXDLVMQQTO-INIZCTEOSA-N 2 1 348.878 3.349 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)CCCN(C)Cc1ccco1 ZINC000353544158 456747363 /nfs/dbraw/zinc/74/73/63/456747363.db2.gz AUQQHVLQENGWCY-ZHALLVOQSA-N 2 1 349.519 3.117 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000353544158 456747368 /nfs/dbraw/zinc/74/73/68/456747368.db2.gz AUQQHVLQENGWCY-ZHALLVOQSA-N 2 1 349.519 3.117 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CO)CC(F)F)CC1 ZINC000353585978 456783856 /nfs/dbraw/zinc/78/38/56/456783856.db2.gz BDBJAYWMXNTVNN-AQFXKWCLSA-N 2 1 326.431 3.035 20 0 EGADMP Cc1cnc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1C ZINC000341258536 456827506 /nfs/dbraw/zinc/82/75/06/456827506.db2.gz LQHHFPJKBCYBNC-LPHOPBHVSA-N 2 1 326.488 3.119 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000338686112 456852211 /nfs/dbraw/zinc/85/22/11/456852211.db2.gz DGPPTMZOSYJNID-FIYPYCPBSA-N 2 1 342.483 3.385 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Br)cn2)C[C@H]1C ZINC000353751837 456889855 /nfs/dbraw/zinc/88/98/55/456889855.db2.gz KNDMXBZOGWMISN-IUODEOHRSA-N 2 1 326.282 3.149 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC000339011425 456899161 /nfs/dbraw/zinc/89/91/61/456899161.db2.gz RTUSTVXWLVYBDQ-OAHLLOKOSA-N 2 1 328.859 3.412 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000339011425 456899166 /nfs/dbraw/zinc/89/91/66/456899166.db2.gz RTUSTVXWLVYBDQ-OAHLLOKOSA-N 2 1 328.859 3.412 20 0 EGADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000349187496 456906698 /nfs/dbraw/zinc/90/66/98/456906698.db2.gz KCNWXVUJNVXQFD-QGZVFWFLSA-N 2 1 332.488 3.176 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnc([C@@H]4CCCO4)s3)C2)CC1 ZINC000349194238 456909664 /nfs/dbraw/zinc/90/96/64/456909664.db2.gz RRKHTGPNOAIDPI-RDJZCZTQSA-N 2 1 335.517 3.158 20 0 EGADMP CC[NH+]1CCC(NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000341817149 456956712 /nfs/dbraw/zinc/95/67/12/456956712.db2.gz UGVYSCZOJJSFFC-NRFANRHFSA-N 2 1 329.532 3.143 20 0 EGADMP CC[NH+]1CCC([NH2+]C[C@@H](C(C)C)N2CCc3ccccc3C2)CC1 ZINC000341817149 456956717 /nfs/dbraw/zinc/95/67/17/456956717.db2.gz UGVYSCZOJJSFFC-NRFANRHFSA-N 2 1 329.532 3.143 20 0 EGADMP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccsc1 ZINC000349384802 456960194 /nfs/dbraw/zinc/96/01/94/456960194.db2.gz XVVDJPJXVSDZLC-MDNKFWRPSA-N 2 1 342.508 3.282 20 0 EGADMP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccsc1 ZINC000349384802 456960199 /nfs/dbraw/zinc/96/01/99/456960199.db2.gz XVVDJPJXVSDZLC-MDNKFWRPSA-N 2 1 342.508 3.282 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccc(O)cc2)CC1 ZINC000349411085 456964097 /nfs/dbraw/zinc/96/40/97/456964097.db2.gz WOCVDSUNTZKCJX-UHFFFAOYSA-N 2 1 339.483 3.166 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339166393 456973145 /nfs/dbraw/zinc/97/31/45/456973145.db2.gz OPUNVHFFHFIELS-GDBMZVCRSA-N 2 1 338.293 3.465 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CCC2)[C@H](C)C1 ZINC000353960166 456980392 /nfs/dbraw/zinc/98/03/92/456980392.db2.gz UORRXGMUHXICGW-HUUCEWRRSA-N 2 1 336.442 3.446 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362701179 457052505 /nfs/dbraw/zinc/05/25/05/457052505.db2.gz FJMDXPYIQZADMO-PWIZWCRZSA-N 2 1 333.495 3.235 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000354099205 457061559 /nfs/dbraw/zinc/06/15/59/457061559.db2.gz BXZGREXTQJTHGY-KRWDZBQOSA-N 2 1 342.430 3.221 20 0 EGADMP [NH3+][C@H](CC(F)F)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000339354614 457064383 /nfs/dbraw/zinc/06/43/83/457064383.db2.gz ARYDTRUNDYLOPA-CQSZACIVSA-N 2 1 336.386 3.378 20 0 EGADMP c1ccc([C@H](C[NH+]2CCOCC2)Nc2cc[nH+]c3ccccc23)cc1 ZINC000346612377 457079588 /nfs/dbraw/zinc/07/95/88/457079588.db2.gz WEEFZAPBELYRSO-NRFANRHFSA-N 2 1 333.435 3.142 20 0 EGADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000356650857 457102901 /nfs/dbraw/zinc/10/29/01/457102901.db2.gz RNPDOTZZJWPYTI-PBHICJAKSA-N 2 1 339.911 3.179 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000356650857 457102904 /nfs/dbraw/zinc/10/29/04/457102904.db2.gz RNPDOTZZJWPYTI-PBHICJAKSA-N 2 1 339.911 3.179 20 0 EGADMP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@@H]1CCC[NH2+]C1 ZINC000346842269 457182666 /nfs/dbraw/zinc/18/26/66/457182666.db2.gz IAAJDCMGTLCEBY-OAHLLOKOSA-N 2 1 330.451 3.080 20 0 EGADMP C[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000356900709 457207778 /nfs/dbraw/zinc/20/77/78/457207778.db2.gz PCDFDUXGENMBGW-CABCVRRESA-N 2 1 335.458 3.113 20 0 EGADMP C[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000356900712 457207410 /nfs/dbraw/zinc/20/74/10/457207410.db2.gz PCDFDUXGENMBGW-LSDHHAIUSA-N 2 1 335.458 3.113 20 0 EGADMP C[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000356900712 457207414 /nfs/dbraw/zinc/20/74/14/457207414.db2.gz PCDFDUXGENMBGW-LSDHHAIUSA-N 2 1 335.458 3.113 20 0 EGADMP C[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000356900709 457207775 /nfs/dbraw/zinc/20/77/75/457207775.db2.gz PCDFDUXGENMBGW-CABCVRRESA-N 2 1 335.458 3.113 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)C2CCC2)CC1 ZINC000357031785 457286945 /nfs/dbraw/zinc/28/69/45/457286945.db2.gz ZMFIFONRRASFNU-ROUUACIJSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)C2CCC2)CC1 ZINC000357031785 457286952 /nfs/dbraw/zinc/28/69/52/457286952.db2.gz ZMFIFONRRASFNU-ROUUACIJSA-N 2 1 343.515 3.012 20 0 EGADMP c1coc([C@H]2CC[NH+](CCOCC[N@H+]3CC[C@H](c4ccco4)C3)C2)c1 ZINC000363314416 457289802 /nfs/dbraw/zinc/28/98/02/457289802.db2.gz XEQGCIKVNFAPOJ-ROUUACIJSA-N 2 1 344.455 3.168 20 0 EGADMP COc1cc(C)[nH+]c(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000339821072 457292184 /nfs/dbraw/zinc/29/21/84/457292184.db2.gz YAHVRRUEHPXEOK-QZTJIDSGSA-N 2 1 331.504 3.485 20 0 EGADMP COc1cc(C)[nH+]c(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000339821072 457292191 /nfs/dbraw/zinc/29/21/91/457292191.db2.gz YAHVRRUEHPXEOK-QZTJIDSGSA-N 2 1 331.504 3.485 20 0 EGADMP CC(C)[NH+](CCN(C)C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)C(C)C ZINC000357050483 457298689 /nfs/dbraw/zinc/29/86/89/457298689.db2.gz AHHBCALDMKAUIH-SFHVURJKSA-N 2 1 345.531 3.010 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)C[C@@H]12 ZINC000351489402 457301123 /nfs/dbraw/zinc/30/11/23/457301123.db2.gz HAFQDKMVHJOVJB-PWIZWCRZSA-N 2 1 347.547 3.150 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)C[C@@H]12 ZINC000351489402 457301130 /nfs/dbraw/zinc/30/11/30/457301130.db2.gz HAFQDKMVHJOVJB-PWIZWCRZSA-N 2 1 347.547 3.150 20 0 EGADMP COc1cc(C)[nH+]c(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000339844366 457307224 /nfs/dbraw/zinc/30/72/24/457307224.db2.gz VROSQRLGRTXHPE-GOSISDBHSA-N 2 1 331.504 3.343 20 0 EGADMP COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)CCOCC[NH3+])cc1 ZINC000357086061 457313965 /nfs/dbraw/zinc/31/39/65/457313965.db2.gz RIQMIWPOVSJKKE-MRXNPFEDSA-N 2 1 328.456 3.330 20 0 EGADMP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000357088321 457316017 /nfs/dbraw/zinc/31/60/17/457316017.db2.gz RPWCTYWTMPZFES-SJORKVTESA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000357109122 457327006 /nfs/dbraw/zinc/32/70/06/457327006.db2.gz HGAUCJIBJSXYPO-FGTMMUONSA-N 2 1 345.531 3.406 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000340114887 457337011 /nfs/dbraw/zinc/33/70/11/457337011.db2.gz CAGGFQAWLMXWMX-VQTJNVASSA-N 2 1 345.531 3.442 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347377131 457386788 /nfs/dbraw/zinc/38/67/88/457386788.db2.gz QBSNEPFETRRAEX-IRXDYDNUSA-N 2 1 331.485 3.082 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347377131 457386791 /nfs/dbraw/zinc/38/67/91/457386791.db2.gz QBSNEPFETRRAEX-IRXDYDNUSA-N 2 1 331.485 3.082 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)C(C)C ZINC000347383304 457392218 /nfs/dbraw/zinc/39/22/18/457392218.db2.gz VTRDNHXKTMWLMS-FQEVSTJZSA-N 2 1 345.531 3.276 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000382693685 457423571 /nfs/dbraw/zinc/42/35/71/457423571.db2.gz IWTOBYAQWVBNBL-ICSRJNTNSA-N 2 1 345.531 3.121 20 0 EGADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000352512371 457428568 /nfs/dbraw/zinc/42/85/68/457428568.db2.gz XDDHOIWFLBWXDW-OAHLLOKOSA-N 2 1 334.851 3.136 20 0 EGADMP C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000390591089 457439826 /nfs/dbraw/zinc/43/98/26/457439826.db2.gz PGPNDNKTDAVXSJ-GFOJFJKKSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000390591089 457439834 /nfs/dbraw/zinc/43/98/34/457439834.db2.gz PGPNDNKTDAVXSJ-GFOJFJKKSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@@H](CCSc1ccccc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363754530 457443859 /nfs/dbraw/zinc/44/38/59/457443859.db2.gz VTZNBBHURMPMHP-OALUTQOASA-N 2 1 347.572 3.269 20 0 EGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000352541043 457451142 /nfs/dbraw/zinc/45/11/42/457451142.db2.gz SVNJLPHJUJGMIG-IBGZPJMESA-N 2 1 325.456 3.364 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000360946083 457453306 /nfs/dbraw/zinc/45/33/06/457453306.db2.gz HINJAKYIFAUDCV-WOJBJXKFSA-N 2 1 345.531 3.379 20 0 EGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000392294477 457459156 /nfs/dbraw/zinc/45/91/56/457459156.db2.gz PRQGFJQMXGJPCR-DOTOQJQBSA-N 2 1 337.508 3.016 20 0 EGADMP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(F)cn1 ZINC000352555087 457462932 /nfs/dbraw/zinc/46/29/32/457462932.db2.gz JAOMCNBSCJCYTG-KRWDZBQOSA-N 2 1 331.435 3.402 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)N1CCC(C)CC1 ZINC000360955559 457463433 /nfs/dbraw/zinc/46/34/33/457463433.db2.gz JKWMOWLNMQIARP-QYZOEREBSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C1(C[NH3+])CCC1 ZINC000395397791 457477741 /nfs/dbraw/zinc/47/77/41/457477741.db2.gz RPJNFQBEIQTZFG-UHFFFAOYSA-N 2 1 330.259 3.135 20 0 EGADMP C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C1(C[NH3+])CCC1 ZINC000395397791 457477749 /nfs/dbraw/zinc/47/77/49/457477749.db2.gz RPJNFQBEIQTZFG-UHFFFAOYSA-N 2 1 330.259 3.135 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc2c(c1)C[NH2+]C2 ZINC000347524598 457484993 /nfs/dbraw/zinc/48/49/93/457484993.db2.gz KTKCQSAYOVXAMW-OAQYLSRUSA-N 2 1 349.478 3.074 20 0 EGADMP COC(=O)c1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)s1 ZINC000374171115 457508046 /nfs/dbraw/zinc/50/80/46/457508046.db2.gz IGDZRTDDLPAPLX-UHFFFAOYSA-N 2 1 336.501 3.151 20 0 EGADMP Cc1ccccc1NC(=O)CC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179047 457512030 /nfs/dbraw/zinc/51/20/30/457512030.db2.gz ZZNQKTULRZYXJW-UHFFFAOYSA-N 2 1 329.488 3.131 20 0 EGADMP Fc1ccc(CC[NH2+]CC2([NH+]3CCCC3)CCOCC2)c(Cl)c1 ZINC000356195293 457522750 /nfs/dbraw/zinc/52/27/50/457522750.db2.gz PQQJMQQRYMAESC-UHFFFAOYSA-N 2 1 340.870 3.256 20 0 EGADMP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000374241683 457541003 /nfs/dbraw/zinc/54/10/03/457541003.db2.gz OSLDZFYVKWJMHB-OALUTQOASA-N 2 1 344.547 3.032 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000374271678 457558758 /nfs/dbraw/zinc/55/87/58/457558758.db2.gz UOAKPMSTAYLOAO-TZIWHRDSSA-N 2 1 346.515 3.072 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000374271673 457559001 /nfs/dbraw/zinc/55/90/01/457559001.db2.gz UOAKPMSTAYLOAO-CTNGQTDRSA-N 2 1 346.515 3.072 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Cc2ccccc2CO)CC1 ZINC000347628236 457559022 /nfs/dbraw/zinc/55/90/22/457559022.db2.gz ICJYLRRXXGBYCO-UHFFFAOYSA-N 2 1 327.472 3.029 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)s1 ZINC000352740380 457572575 /nfs/dbraw/zinc/57/25/75/457572575.db2.gz WMALUEVYQXNOJE-DOTOQJQBSA-N 2 1 331.485 3.215 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H](CC(=O)OC(C)C)c1ccc(C)cc1 ZINC000361098871 457579997 /nfs/dbraw/zinc/57/99/97/457579997.db2.gz XTTWHHWZEFKQCY-GOSISDBHSA-N 2 1 329.444 3.173 20 0 EGADMP CN1CC[C@H]2CC[N@H+](Cc3ccccc3OCC(F)(F)F)[C@@H]2C1 ZINC000361101240 457581078 /nfs/dbraw/zinc/58/10/78/457581078.db2.gz AYVATLVAMBMTAW-DZGCQCFKSA-N 2 1 328.378 3.154 20 0 EGADMP CN1CC[C@H]2CC[N@@H+](Cc3ccccc3OCC(F)(F)F)[C@@H]2C1 ZINC000361101240 457581087 /nfs/dbraw/zinc/58/10/87/457581087.db2.gz AYVATLVAMBMTAW-DZGCQCFKSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2SCCc3ccccc32)s1 ZINC000352756880 457585680 /nfs/dbraw/zinc/58/56/80/457585680.db2.gz RSODBJPSAILPOL-INIZCTEOSA-N 2 1 333.526 3.325 20 0 EGADMP Cc1cc(F)ccc1CN(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425918189 457651043 /nfs/dbraw/zinc/65/10/43/457651043.db2.gz DNRQHVJUYAGUMH-NRFANRHFSA-N 2 1 342.458 3.203 20 0 EGADMP Cc1cc(F)ccc1C[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425918189 457651046 /nfs/dbraw/zinc/65/10/46/457651046.db2.gz DNRQHVJUYAGUMH-NRFANRHFSA-N 2 1 342.458 3.203 20 0 EGADMP Cc1cc(F)ccc1C[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425918189 457651054 /nfs/dbraw/zinc/65/10/54/457651054.db2.gz DNRQHVJUYAGUMH-NRFANRHFSA-N 2 1 342.458 3.203 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2sc(C)nc2C)[C@@H](C)C1 ZINC000361307543 457687769 /nfs/dbraw/zinc/68/77/69/457687769.db2.gz BCHDKKBFWXNJCE-YOEHRIQHSA-N 2 1 339.549 3.029 20 0 EGADMP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370704663 457703858 /nfs/dbraw/zinc/70/38/58/457703858.db2.gz ALMKGNYSZBYPQO-QGZVFWFLSA-N 2 1 329.488 3.130 20 0 EGADMP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000370724429 457706789 /nfs/dbraw/zinc/70/67/89/457706789.db2.gz KUBNEEJQXYAUGS-KRWDZBQOSA-N 2 1 340.471 3.109 20 0 EGADMP CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000370724429 457706791 /nfs/dbraw/zinc/70/67/91/457706791.db2.gz KUBNEEJQXYAUGS-KRWDZBQOSA-N 2 1 340.471 3.109 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)[C@@H](C)C1 ZINC000357889337 457724635 /nfs/dbraw/zinc/72/46/35/457724635.db2.gz ZMJAYHHGQXAVGJ-DZGCQCFKSA-N 2 1 345.409 3.189 20 0 EGADMP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)cc1O ZINC000365187317 457729731 /nfs/dbraw/zinc/72/97/31/457729731.db2.gz ZOHSNLQKHMUEKC-WBVHZDCISA-N 2 1 332.488 3.328 20 0 EGADMP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)cc1O ZINC000365187317 457729736 /nfs/dbraw/zinc/72/97/36/457729736.db2.gz ZOHSNLQKHMUEKC-WBVHZDCISA-N 2 1 332.488 3.328 20 0 EGADMP CN(C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912518 457732156 /nfs/dbraw/zinc/73/21/56/457732156.db2.gz XSZACTNBURYAHA-YJBOKZPZSA-N 2 1 349.906 3.109 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1nnn(-c2ccccc2)c1C ZINC000358086117 457777633 /nfs/dbraw/zinc/77/76/33/457777633.db2.gz OEXNSGGLQFVEGY-HUUCEWRRSA-N 2 1 338.459 3.068 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](CC2(OC)CCCC2)CC1 ZINC000361546263 457787156 /nfs/dbraw/zinc/78/71/56/457787156.db2.gz AXNSKYVGUMEXNA-UHFFFAOYSA-N 2 1 326.525 3.016 20 0 EGADMP C[NH+](C)CCCC(C)(C)NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000457694713 457796537 /nfs/dbraw/zinc/79/65/37/457796537.db2.gz IYQIFTZSNCFJFI-UHFFFAOYSA-N 2 1 340.556 3.061 20 0 EGADMP CCCc1cc(N2CC[NH+](Cc3cnn(C)c3)CC2)c2ccccc2[nH+]1 ZINC000443661895 457800515 /nfs/dbraw/zinc/80/05/15/457800515.db2.gz CBRLTMIADRYFGT-UHFFFAOYSA-N 2 1 349.482 3.243 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1O ZINC000426404786 457822235 /nfs/dbraw/zinc/82/22/35/457822235.db2.gz JRZMYLCYBYAJGI-IKGGRYGDSA-N 2 1 334.504 3.432 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1O ZINC000426404786 457822240 /nfs/dbraw/zinc/82/22/40/457822240.db2.gz JRZMYLCYBYAJGI-IKGGRYGDSA-N 2 1 334.504 3.432 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1O ZINC000426401488 457823097 /nfs/dbraw/zinc/82/30/97/457823097.db2.gz PSFGRFURNGBQHZ-IKGGRYGDSA-N 2 1 334.504 3.432 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1O ZINC000426401488 457823103 /nfs/dbraw/zinc/82/31/03/457823103.db2.gz PSFGRFURNGBQHZ-IKGGRYGDSA-N 2 1 334.504 3.432 20 0 EGADMP CCCc1csc(C[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)n1 ZINC000426415804 457826798 /nfs/dbraw/zinc/82/67/98/457826798.db2.gz FGDGGPZHEUEMFA-INIZCTEOSA-N 2 1 325.522 3.028 20 0 EGADMP CCCc1csc(C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)n1 ZINC000426415804 457826808 /nfs/dbraw/zinc/82/68/08/457826808.db2.gz FGDGGPZHEUEMFA-INIZCTEOSA-N 2 1 325.522 3.028 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000361765347 457845670 /nfs/dbraw/zinc/84/56/70/457845670.db2.gz OTABHYACLHQTMH-SOLBZPMBSA-N 2 1 342.487 3.132 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000361765347 457845678 /nfs/dbraw/zinc/84/56/78/457845678.db2.gz OTABHYACLHQTMH-SOLBZPMBSA-N 2 1 342.487 3.132 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc([C@@H]4C[C@H]4C)o3)C2)CC1 ZINC000371333654 457871545 /nfs/dbraw/zinc/87/15/45/457871545.db2.gz FBCDZAWOFYAZLS-ZHALLVOQSA-N 2 1 331.504 3.003 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000371437355 457930509 /nfs/dbraw/zinc/93/05/09/457930509.db2.gz DGRRRAPBPAFTHG-BZSNNMDCSA-N 2 1 329.488 3.237 20 0 EGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361888451 457932276 /nfs/dbraw/zinc/93/22/76/457932276.db2.gz JJXDHBYHBNEIQT-YHYVQYDKSA-N 2 1 336.479 3.147 20 0 EGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361888451 457932280 /nfs/dbraw/zinc/93/22/80/457932280.db2.gz JJXDHBYHBNEIQT-YHYVQYDKSA-N 2 1 336.479 3.147 20 0 EGADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2cccc(COCC(F)(F)F)c2)C1 ZINC000358332375 457937937 /nfs/dbraw/zinc/93/79/37/457937937.db2.gz VZSTWZWPJGUYEG-XJKSGUPXSA-N 2 1 330.394 3.195 20 0 EGADMP COc1cccc(-c2c[nH]c([C@@H]3CCC[N@@H+]3CCn3ccnc3)n2)c1 ZINC000367270178 457939492 /nfs/dbraw/zinc/93/94/92/457939492.db2.gz JVFYKDVZGCYZEW-SFHVURJKSA-N 2 1 337.427 3.119 20 0 EGADMP COc1cccc(-c2c[nH]c([C@@H]3CCC[N@H+]3CCn3ccnc3)n2)c1 ZINC000367270178 457939497 /nfs/dbraw/zinc/93/94/97/457939497.db2.gz JVFYKDVZGCYZEW-SFHVURJKSA-N 2 1 337.427 3.119 20 0 EGADMP c1cc(COC2CCOCC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358346698 457947933 /nfs/dbraw/zinc/94/79/33/457947933.db2.gz BVDOPUNJQVKXOZ-UXHICEINSA-N 2 1 344.499 3.099 20 0 EGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000375506357 457955057 /nfs/dbraw/zinc/95/50/57/457955057.db2.gz JWKDBEUNAWCQEV-UHFFFAOYSA-N 2 1 328.378 3.487 20 0 EGADMP Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C)ccc1OCC[NH+](C)C ZINC000458211109 457970578 /nfs/dbraw/zinc/97/05/78/457970578.db2.gz MIPHUVUYHWLCMB-KRWDZBQOSA-N 2 1 347.503 3.138 20 0 EGADMP CN(Cc1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)CC1 ZINC000434644108 458028333 /nfs/dbraw/zinc/02/83/33/458028333.db2.gz TVTGUNAADMBYKL-FQEVSTJZSA-N 2 1 349.482 3.444 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@H]1CCC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000434644108 458028335 /nfs/dbraw/zinc/02/83/35/458028335.db2.gz TVTGUNAADMBYKL-FQEVSTJZSA-N 2 1 349.482 3.444 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000434644108 458028336 /nfs/dbraw/zinc/02/83/36/458028336.db2.gz TVTGUNAADMBYKL-FQEVSTJZSA-N 2 1 349.482 3.444 20 0 EGADMP C[NH+](Cc1ccccn1)[C@H]1CCC[N@H+](Cc2cccc3c[nH]nc32)CC1 ZINC000434644108 458028340 /nfs/dbraw/zinc/02/83/40/458028340.db2.gz TVTGUNAADMBYKL-FQEVSTJZSA-N 2 1 349.482 3.444 20 0 EGADMP C[NH+](Cc1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)CC1 ZINC000434644108 458028344 /nfs/dbraw/zinc/02/83/44/458028344.db2.gz TVTGUNAADMBYKL-FQEVSTJZSA-N 2 1 349.482 3.444 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411978117 458030803 /nfs/dbraw/zinc/03/08/03/458030803.db2.gz GTWHBQFLEMYSGD-HXUWFJFHSA-N 2 1 339.439 3.082 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411978117 458030808 /nfs/dbraw/zinc/03/08/08/458030808.db2.gz GTWHBQFLEMYSGD-HXUWFJFHSA-N 2 1 339.439 3.082 20 0 EGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435368768 458120108 /nfs/dbraw/zinc/12/01/08/458120108.db2.gz IZJHFIULTVKFKK-AWEZNQCLSA-N 2 1 338.377 3.062 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000435371399 458122883 /nfs/dbraw/zinc/12/28/83/458122883.db2.gz MRIIVZCCEUNAEG-YJBOKZPZSA-N 2 1 325.456 3.316 20 0 EGADMP CC[C@@H]1C[C@H](C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000435371341 458123154 /nfs/dbraw/zinc/12/31/54/458123154.db2.gz MDNMSAVWPARXRE-YZGWKJHDSA-N 2 1 331.504 3.231 20 0 EGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435373937 458124476 /nfs/dbraw/zinc/12/44/76/458124476.db2.gz GTGNQMUZLBDABR-QGZVFWFLSA-N 2 1 338.499 3.266 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435373937 458124480 /nfs/dbraw/zinc/12/44/80/458124480.db2.gz GTGNQMUZLBDABR-QGZVFWFLSA-N 2 1 338.499 3.266 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@@H]1[NH3+] ZINC000435373443 458125207 /nfs/dbraw/zinc/12/52/07/458125207.db2.gz NLHIIAKESLYMJJ-APWZRJJASA-N 2 1 338.499 3.394 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@@H]1[NH3+] ZINC000435373443 458125214 /nfs/dbraw/zinc/12/52/14/458125214.db2.gz NLHIIAKESLYMJJ-APWZRJJASA-N 2 1 338.499 3.394 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435373548 458125369 /nfs/dbraw/zinc/12/53/69/458125369.db2.gz VDKGJKKQLKHELR-AEFFLSMTSA-N 2 1 347.466 3.103 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OCc3csc(C)n3)cc2)C1 ZINC000435375857 458125765 /nfs/dbraw/zinc/12/57/65/458125765.db2.gz OLKIVLBKEVNIRV-KRWDZBQOSA-N 2 1 345.512 3.462 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3csc(C)n3)cc2)C1 ZINC000435375857 458125768 /nfs/dbraw/zinc/12/57/68/458125768.db2.gz OLKIVLBKEVNIRV-KRWDZBQOSA-N 2 1 345.512 3.462 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000435377142 458125836 /nfs/dbraw/zinc/12/58/36/458125836.db2.gz YJTFVKZOHZZINK-WMZOPIPTSA-N 2 1 347.466 3.103 20 0 EGADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)cc2)cs1 ZINC000435380949 458129099 /nfs/dbraw/zinc/12/90/99/458129099.db2.gz QUIMEAPJXLMMJV-SCLBCKFNSA-N 2 1 331.485 3.200 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C[C@H]2CCOc3ccccc32)C[C@H](C)O1 ZINC000372131189 458203932 /nfs/dbraw/zinc/20/39/32/458203932.db2.gz DMXNWXQGWSEKJV-FGTMMUONSA-N 2 1 332.488 3.032 20 0 EGADMP CCCc1nc(C)c(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000428967459 458242774 /nfs/dbraw/zinc/24/27/74/458242774.db2.gz MUPHKCYTVLLNPU-KDURUIRLSA-N 2 1 339.483 3.499 20 0 EGADMP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000372285013 458263691 /nfs/dbraw/zinc/26/36/91/458263691.db2.gz HTYGJIAGWBVLRA-IBGZPJMESA-N 2 1 338.455 3.056 20 0 EGADMP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000372285013 458263696 /nfs/dbraw/zinc/26/36/96/458263696.db2.gz HTYGJIAGWBVLRA-IBGZPJMESA-N 2 1 338.455 3.056 20 0 EGADMP CC(C)[C@@H]([NH3+])CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000429141389 458281129 /nfs/dbraw/zinc/28/11/29/458281129.db2.gz KYBVERGLZAQSSG-FQEVSTJZSA-N 2 1 339.483 3.032 20 0 EGADMP Oc1cccc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1Br ZINC000459355441 458340713 /nfs/dbraw/zinc/34/07/13/458340713.db2.gz MZLCHOBFTXKQCD-AWEZNQCLSA-N 2 1 349.228 3.203 20 0 EGADMP C[C@H]1CN(c2ccccc2C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000459375033 458350159 /nfs/dbraw/zinc/35/01/59/458350159.db2.gz JIJLLXKFQYYFLQ-OALUTQOASA-N 2 1 345.531 3.266 20 0 EGADMP C[C@H]1CN(c2ccccc2C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC000459375033 458350164 /nfs/dbraw/zinc/35/01/64/458350164.db2.gz JIJLLXKFQYYFLQ-OALUTQOASA-N 2 1 345.531 3.266 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000459383083 458352297 /nfs/dbraw/zinc/35/22/97/458352297.db2.gz FBVDYHRULUBBQR-CABCVRRESA-N 2 1 330.501 3.298 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000459383083 458352301 /nfs/dbraw/zinc/35/23/01/458352301.db2.gz FBVDYHRULUBBQR-CABCVRRESA-N 2 1 330.501 3.298 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000459383083 458352303 /nfs/dbraw/zinc/35/23/03/458352303.db2.gz FBVDYHRULUBBQR-CABCVRRESA-N 2 1 330.501 3.298 20 0 EGADMP C[C@H](CC[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1)[NH+]1CCCCC1 ZINC000459490697 458390365 /nfs/dbraw/zinc/39/03/65/458390365.db2.gz XDADKVGSXASGLA-MOPGFXCFSA-N 2 1 345.531 3.266 20 0 EGADMP COc1ccccc1[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)OC(C)C ZINC000459522431 458398823 /nfs/dbraw/zinc/39/88/23/458398823.db2.gz HWYLNWNQHLDZFB-HXUWFJFHSA-N 2 1 332.488 3.378 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cnccn1 ZINC000376835328 458402031 /nfs/dbraw/zinc/40/20/31/458402031.db2.gz CGOYXJBJYBVHNP-MTFMMBMASA-N 2 1 336.483 3.428 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cnccn1 ZINC000376835328 458402033 /nfs/dbraw/zinc/40/20/33/458402033.db2.gz CGOYXJBJYBVHNP-MTFMMBMASA-N 2 1 336.483 3.428 20 0 EGADMP C[C@H](NC[C@H]1[NH2+]CCc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423427314 458431036 /nfs/dbraw/zinc/43/10/36/458431036.db2.gz NTCCBHFXIHWZLD-QTGUNEKASA-N 2 1 349.522 3.374 20 0 EGADMP C[C@H]([NH2+]C[C@H]1NCCc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423427314 458431044 /nfs/dbraw/zinc/43/10/44/458431044.db2.gz NTCCBHFXIHWZLD-QTGUNEKASA-N 2 1 349.522 3.374 20 0 EGADMP C[C@H]([NH2+]C[C@H]1NCCc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423427314 458431050 /nfs/dbraw/zinc/43/10/50/458431050.db2.gz NTCCBHFXIHWZLD-QTGUNEKASA-N 2 1 349.522 3.374 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C3)cc1 ZINC000423452910 458435550 /nfs/dbraw/zinc/43/55/50/458435550.db2.gz ZNANNHGJYUHPNJ-BIRZXAFVSA-N 2 1 339.527 3.160 20 0 EGADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C3)cc1 ZINC000423452910 458435554 /nfs/dbraw/zinc/43/55/54/458435554.db2.gz ZNANNHGJYUHPNJ-BIRZXAFVSA-N 2 1 339.527 3.160 20 0 EGADMP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423522200 458450997 /nfs/dbraw/zinc/45/09/97/458450997.db2.gz RJYDREHTOSDGTG-TZMCWYRMSA-N 2 1 349.475 3.287 20 0 EGADMP C[N@H+]1CC[C@@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000423536259 458455455 /nfs/dbraw/zinc/45/54/55/458455455.db2.gz ZEOSPZHCSFITBE-MBDNFAEBSA-N 2 1 335.495 3.167 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C3)cc1 ZINC000377077290 458456164 /nfs/dbraw/zinc/45/61/64/458456164.db2.gz KEBQJGCZIHNARG-XNTOXWQXSA-N 2 1 326.484 3.339 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCC3=CC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000423546584 458456449 /nfs/dbraw/zinc/45/64/49/458456449.db2.gz ZDEDSJDUCHIRKO-VSKRKVRLSA-N 3 1 339.527 3.329 20 0 EGADMP c1ccc(CN2CC[C@@H]([NH2+]CCC3=CC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000423546584 458456451 /nfs/dbraw/zinc/45/64/51/458456451.db2.gz ZDEDSJDUCHIRKO-VSKRKVRLSA-N 2 1 339.527 3.329 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000430570408 458464161 /nfs/dbraw/zinc/46/41/61/458464161.db2.gz GSRUYWTVIXOBFU-QFBILLFUSA-N 2 1 337.467 3.498 20 0 EGADMP CC(C)[C@](C)(CN)[NH2+]CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000430585832 458466919 /nfs/dbraw/zinc/46/69/19/458466919.db2.gz XNIUNSGKSRGUHM-RTWAWAEBSA-N 2 1 345.531 3.387 20 0 EGADMP [NH3+]C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000430596548 458469609 /nfs/dbraw/zinc/46/96/09/458469609.db2.gz XCJPQNXOLDPCJQ-UHFFFAOYSA-N 2 1 332.451 3.462 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000373371310 458473654 /nfs/dbraw/zinc/47/36/54/458473654.db2.gz YJTBHHCAFNWWDM-SCTDSRPQSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459774560 458475431 /nfs/dbraw/zinc/47/54/31/458475431.db2.gz JFMCOSQRLVEBRT-SESVDKBCSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459774560 458475435 /nfs/dbraw/zinc/47/54/35/458475435.db2.gz JFMCOSQRLVEBRT-SESVDKBCSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459774560 458475438 /nfs/dbraw/zinc/47/54/38/458475438.db2.gz JFMCOSQRLVEBRT-SESVDKBCSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459774560 458475442 /nfs/dbraw/zinc/47/54/42/458475442.db2.gz JFMCOSQRLVEBRT-SESVDKBCSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459774560 458475444 /nfs/dbraw/zinc/47/54/44/458475444.db2.gz JFMCOSQRLVEBRT-SESVDKBCSA-N 2 1 329.532 3.219 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430651771 458475564 /nfs/dbraw/zinc/47/55/64/458475564.db2.gz MCTVVNOHLLHDKM-CQSZACIVSA-N 2 1 330.394 3.406 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CN(Cc2ccccc2)C1 ZINC000459794405 458481426 /nfs/dbraw/zinc/48/14/26/458481426.db2.gz UPNIEDPUGJAKLE-HLAWJBBLSA-N 2 1 329.532 3.219 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1C[C@]12CC[NH2+]C2)C1CCCCC1 ZINC000373434074 458492405 /nfs/dbraw/zinc/49/24/05/458492405.db2.gz BOHVJQXMXODUCO-NQIIRXRSSA-N 2 1 341.499 3.389 20 0 EGADMP C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000423832786 458494018 /nfs/dbraw/zinc/49/40/18/458494018.db2.gz SGTQIPVGNYHUTH-PCODUJHASA-N 2 1 349.906 3.109 20 0 EGADMP C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000423832786 458494021 /nfs/dbraw/zinc/49/40/21/458494021.db2.gz SGTQIPVGNYHUTH-PCODUJHASA-N 2 1 349.906 3.109 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)c(Cl)c1 ZINC000430922179 458505144 /nfs/dbraw/zinc/50/51/44/458505144.db2.gz XZVAYOVDRXKUFJ-ZIAGYGMSSA-N 2 1 337.895 3.343 20 0 EGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000430925157 458506846 /nfs/dbraw/zinc/50/68/46/458506846.db2.gz KSLMABVFFBZUSK-KRWDZBQOSA-N 2 1 332.451 3.320 20 0 EGADMP COc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000377763303 458516554 /nfs/dbraw/zinc/51/65/54/458516554.db2.gz OZJKEQKSAPBVAF-MOPGFXCFSA-N 2 1 337.467 3.044 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)Cc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000453219984 458521905 /nfs/dbraw/zinc/52/19/05/458521905.db2.gz NNKCIOVATRYVBP-HBMCJLEFSA-N 2 1 342.458 3.154 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)Cc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000453219984 458521912 /nfs/dbraw/zinc/52/19/12/458521912.db2.gz NNKCIOVATRYVBP-HBMCJLEFSA-N 2 1 342.458 3.154 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC[C@@H]1CCC[N@H+]1C ZINC000469770981 458589901 /nfs/dbraw/zinc/58/99/01/458589901.db2.gz XEWZZUBDDKHHFN-GGPKGHCWSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000469770981 458589905 /nfs/dbraw/zinc/58/99/05/458589905.db2.gz XEWZZUBDDKHHFN-GGPKGHCWSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000469770981 458589909 /nfs/dbraw/zinc/58/99/09/458589909.db2.gz XEWZZUBDDKHHFN-GGPKGHCWSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438561348 458597922 /nfs/dbraw/zinc/59/79/22/458597922.db2.gz KQIVQMQQFWLJCA-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP COC(=O)CC1CC([NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000424272912 458600527 /nfs/dbraw/zinc/60/05/27/458600527.db2.gz VIMIDTIVBYLOKZ-PBPGXSGUSA-N 2 1 344.499 3.492 20 0 EGADMP CC(C)(CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000431657318 458601687 /nfs/dbraw/zinc/60/16/87/458601687.db2.gz BLEJKTYLPRPDRD-SFHVURJKSA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000424318358 458614619 /nfs/dbraw/zinc/61/46/19/458614619.db2.gz FUOHODDXFUQMCO-YLFCFFPRSA-N 2 1 326.525 3.309 20 0 EGADMP COC(=O)CC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000424346724 458621779 /nfs/dbraw/zinc/62/17/79/458621779.db2.gz JVIACFYPKLAFAT-CTWPCTMYSA-N 2 1 344.499 3.218 20 0 EGADMP COC(=O)CC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000424346724 458621784 /nfs/dbraw/zinc/62/17/84/458621784.db2.gz JVIACFYPKLAFAT-CTWPCTMYSA-N 2 1 344.499 3.218 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431785234 458623765 /nfs/dbraw/zinc/62/37/65/458623765.db2.gz ORPFWNKBDNXIJJ-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]CC(C)(C)COC)CC2)cs1 ZINC000494077029 458624372 /nfs/dbraw/zinc/62/43/72/458624372.db2.gz FIOQFNJRYHFDIX-UHFFFAOYSA-N 2 1 339.549 3.180 20 0 EGADMP COc1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1OC(C)C ZINC000424369368 458626228 /nfs/dbraw/zinc/62/62/28/458626228.db2.gz BHKQQTITBBCBHG-MRXNPFEDSA-N 2 1 332.488 3.446 20 0 EGADMP CCOCc1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1OC ZINC000424369293 458626361 /nfs/dbraw/zinc/62/63/61/458626361.db2.gz BBPMNPNKUGZLJM-MRXNPFEDSA-N 2 1 332.488 3.196 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1cnn(-c3ccc(Cl)cc3)c1)CC[NH2+]CC2 ZINC000424385684 458631128 /nfs/dbraw/zinc/63/11/28/458631128.db2.gz WIROHWYRBRSPOH-HNNXBMFYSA-N 2 1 344.890 3.490 20 0 EGADMP COc1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc(Cl)c1OC ZINC000424387018 458631614 /nfs/dbraw/zinc/63/16/14/458631614.db2.gz XZCUKIRWTVHUEF-CYBMUJFWSA-N 2 1 338.879 3.321 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470773394 458649535 /nfs/dbraw/zinc/64/95/35/458649535.db2.gz NVRJVQUCIKDERH-SIKLNZKXSA-N 2 1 340.511 3.407 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000439077954 458651171 /nfs/dbraw/zinc/65/11/71/458651171.db2.gz MPVUBOQNVXMIAN-GJZGRUSLSA-N 2 1 333.476 3.036 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000530232943 458724621 /nfs/dbraw/zinc/72/46/21/458724621.db2.gz MVGWNALBLGYSQX-KMFTYDHNSA-N 2 1 330.516 3.397 20 0 EGADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000547361121 458727446 /nfs/dbraw/zinc/72/74/46/458727446.db2.gz DIXLBYUURLIYCK-LJQANCHMSA-N 2 1 335.923 3.249 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000530513115 458782408 /nfs/dbraw/zinc/78/24/08/458782408.db2.gz DQHPZRNBUUXRIQ-MRXNPFEDSA-N 2 1 334.261 3.392 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000473317897 458825484 /nfs/dbraw/zinc/82/54/84/458825484.db2.gz USGLMWAKGGPGNJ-UXHICEINSA-N 2 1 345.531 3.324 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000548064858 458832367 /nfs/dbraw/zinc/83/23/67/458832367.db2.gz JPSZQOMQPLUVFI-PXNSSMCTSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCCCC1 ZINC000548064858 458832373 /nfs/dbraw/zinc/83/23/73/458832373.db2.gz JPSZQOMQPLUVFI-PXNSSMCTSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CCCCC1 ZINC000548064858 458832376 /nfs/dbraw/zinc/83/23/76/458832376.db2.gz JPSZQOMQPLUVFI-PXNSSMCTSA-N 2 1 347.547 3.116 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1)C1CC1 ZINC000457057065 458850955 /nfs/dbraw/zinc/85/09/55/458850955.db2.gz UJRNWEAFGLVENW-UHFFFAOYSA-N 2 1 343.515 3.275 20 0 EGADMP CC(C)(C)OC(=O)NC(C)(C)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000495435376 458855360 /nfs/dbraw/zinc/85/53/60/458855360.db2.gz ZJRJMDDUFJMKIF-MRXNPFEDSA-N 2 1 339.524 3.240 20 0 EGADMP CC(C)(C)OC(=O)NC(C)(C)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000495435376 458855363 /nfs/dbraw/zinc/85/53/63/458855363.db2.gz ZJRJMDDUFJMKIF-MRXNPFEDSA-N 2 1 339.524 3.240 20 0 EGADMP CC(C)COc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000441269716 458908552 /nfs/dbraw/zinc/90/85/52/458908552.db2.gz SBEGCFSBNQFVGL-QKNQBKEWSA-N 2 1 346.515 3.405 20 0 EGADMP CC(C)COc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000441269716 458908556 /nfs/dbraw/zinc/90/85/56/458908556.db2.gz SBEGCFSBNQFVGL-QKNQBKEWSA-N 2 1 346.515 3.405 20 0 EGADMP CCC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475101131 458919184 /nfs/dbraw/zinc/91/91/84/458919184.db2.gz MFNGZVMXRXRQSS-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1(C)C ZINC000441339856 458923498 /nfs/dbraw/zinc/92/34/98/458923498.db2.gz WKNMPHLICBYYOZ-VQTJNVASSA-N 2 1 329.532 3.013 20 0 EGADMP CC[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@H]1CC1(C)C ZINC000566467009 458942419 /nfs/dbraw/zinc/94/24/19/458942419.db2.gz RABCRAFJRDHXPK-RTBURBONSA-N 2 1 349.563 3.124 20 0 EGADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000566560661 458960757 /nfs/dbraw/zinc/96/07/57/458960757.db2.gz GBKBOURZTCXIRR-IBGZPJMESA-N 2 1 339.414 3.032 20 0 EGADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000566560661 458960760 /nfs/dbraw/zinc/96/07/60/458960760.db2.gz GBKBOURZTCXIRR-IBGZPJMESA-N 2 1 339.414 3.032 20 0 EGADMP C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000495885850 458993365 /nfs/dbraw/zinc/99/33/65/458993365.db2.gz NXCKKVOBMHOZBQ-BZUAXINKSA-N 2 1 331.460 3.024 20 0 EGADMP C[C@H]1CO[C@H](c2ccccc2Cl)CN1CCCc1c[nH+]cn1C ZINC000519831617 459013257 /nfs/dbraw/zinc/01/32/57/459013257.db2.gz CXLRMBNFACMWMB-KSSFIOAISA-N 2 1 333.863 3.468 20 0 EGADMP CSc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000442894359 459056964 /nfs/dbraw/zinc/05/69/64/459056964.db2.gz ZCXKTAZGIIBXKV-JCGIZDLHSA-N 2 1 334.529 3.437 20 0 EGADMP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CCCC1 ZINC000577684609 459073348 /nfs/dbraw/zinc/07/33/48/459073348.db2.gz MOJJTRGPTCJIQC-BQJUDKOJSA-N 2 1 328.500 3.038 20 0 EGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496124989 459076228 /nfs/dbraw/zinc/07/62/28/459076228.db2.gz QUONLAKZLVNOMK-HZPDHXFCSA-N 2 1 339.524 3.286 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443059015 459079022 /nfs/dbraw/zinc/07/90/22/459079022.db2.gz LOYYGFYHSDSICB-NWDGAFQWSA-N 2 1 344.286 3.381 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443059015 459079027 /nfs/dbraw/zinc/07/90/27/459079027.db2.gz LOYYGFYHSDSICB-NWDGAFQWSA-N 2 1 344.286 3.381 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000532482496 459096415 /nfs/dbraw/zinc/09/64/15/459096415.db2.gz DHYGAUGMARWLIS-OAQYLSRUSA-N 2 1 329.532 3.391 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000521246772 459135875 /nfs/dbraw/zinc/13/58/75/459135875.db2.gz MDCYPRRCIQMADH-QGZVFWFLSA-N 2 1 339.911 3.181 20 0 EGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000479460732 459141914 /nfs/dbraw/zinc/14/19/14/459141914.db2.gz ZQWDZARJTDKYED-SESVDKBCSA-N 2 1 328.500 3.205 20 0 EGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000479460732 459141918 /nfs/dbraw/zinc/14/19/18/459141918.db2.gz ZQWDZARJTDKYED-SESVDKBCSA-N 2 1 328.500 3.205 20 0 EGADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000567677858 459143980 /nfs/dbraw/zinc/14/39/80/459143980.db2.gz CINXTJYHOYDFBB-PMACEKPBSA-N 2 1 348.531 3.287 20 0 EGADMP C[C@H](C[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)C[NH+]1CCCC1 ZINC000479979025 459175464 /nfs/dbraw/zinc/17/54/64/459175464.db2.gz LCMKDIPAVDZXAY-MRXNPFEDSA-N 2 1 332.488 3.463 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC3(CCCC3)O2)[C@@H](C)C1 ZINC000558723224 459204505 /nfs/dbraw/zinc/20/45/05/459204505.db2.gz OJKNQXRCZHIRFG-OTWHNJEPSA-N 2 1 338.536 3.205 20 0 EGADMP COCC[N@@H+](C)CC[C@H](N[C@H](C)c1cncnc1C)c1ccccc1 ZINC000578522367 459214753 /nfs/dbraw/zinc/21/47/53/459214753.db2.gz JLVMALPTVGLNLK-XLIONFOSSA-N 2 1 342.487 3.145 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000533299026 459214870 /nfs/dbraw/zinc/21/48/70/459214870.db2.gz FHVMIQIOJYDEPD-KRWDZBQOSA-N 2 1 343.515 3.039 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCCC2=CCCCC2)CC1 ZINC000590787313 459218664 /nfs/dbraw/zinc/21/86/64/459218664.db2.gz ZLOQTWFBDRIZKQ-GOSISDBHSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000590786747 459219659 /nfs/dbraw/zinc/21/96/59/459219659.db2.gz OTPASRXZXUVVQX-UHFFFAOYSA-N 2 1 343.515 3.018 20 0 EGADMP CC[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](CC)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000533440990 459236013 /nfs/dbraw/zinc/23/60/13/459236013.db2.gz VMLCWDLTBKMFKJ-FCGDIQPGSA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](C)O[C@H](CC)C2)C[C@H](C)O1 ZINC000533440990 459236017 /nfs/dbraw/zinc/23/60/17/459236017.db2.gz VMLCWDLTBKMFKJ-FCGDIQPGSA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](C)O[C@H](CC)C2)C[C@H](C)O1 ZINC000533440990 459236025 /nfs/dbraw/zinc/23/60/25/459236025.db2.gz VMLCWDLTBKMFKJ-FCGDIQPGSA-N 2 1 326.525 3.155 20 0 EGADMP O=C(Nc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000533527161 459247565 /nfs/dbraw/zinc/24/75/65/459247565.db2.gz MBXLIKMAGSOELD-SFHVURJKSA-N 2 1 342.418 3.357 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000533865796 459274769 /nfs/dbraw/zinc/27/47/69/459274769.db2.gz AZRQEOBNONMLDK-RDJZCZTQSA-N 2 1 348.450 3.390 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC[C@@H]3CCc4ccccc43)C2)CC1 ZINC000595340224 459280598 /nfs/dbraw/zinc/28/05/98/459280598.db2.gz RINZADPLCRGYKF-SFTDATJTSA-N 2 1 341.543 3.207 20 0 EGADMP C[C@H](CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1)[NH+]1CCC(C)CC1 ZINC000481971237 459283068 /nfs/dbraw/zinc/28/30/68/459283068.db2.gz GQCLGQGGOJLCQW-RTBURBONSA-N 2 1 347.547 3.398 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1F ZINC000482130882 459291494 /nfs/dbraw/zinc/29/14/94/459291494.db2.gz FUHBIGUNCSTXPL-RDJZCZTQSA-N 2 1 335.467 3.254 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000496721282 459299650 /nfs/dbraw/zinc/29/96/50/459299650.db2.gz PEUUMRWGADTUJA-JKSUJKDBSA-N 2 1 339.524 3.096 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496755056 459311972 /nfs/dbraw/zinc/31/19/72/459311972.db2.gz QJJXPVHOTABGEM-YVSFHVDLSA-N 2 1 339.524 3.237 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496755056 459311976 /nfs/dbraw/zinc/31/19/76/459311976.db2.gz QJJXPVHOTABGEM-YVSFHVDLSA-N 2 1 339.524 3.237 20 0 EGADMP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3Cn3cc(C4CC4)nn3)cc2)cn1 ZINC000560341928 459326461 /nfs/dbraw/zinc/32/64/61/459326461.db2.gz RRHAWONJAWVQKA-IBGZPJMESA-N 2 1 348.454 3.006 20 0 EGADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1F ZINC000560594057 459377396 /nfs/dbraw/zinc/37/73/96/459377396.db2.gz FRSQQESWDMQUMM-OXJNMPFZSA-N 2 1 334.479 3.431 20 0 EGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1F ZINC000560594057 459377399 /nfs/dbraw/zinc/37/73/99/459377399.db2.gz FRSQQESWDMQUMM-OXJNMPFZSA-N 2 1 334.479 3.431 20 0 EGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1F ZINC000560594057 459377403 /nfs/dbraw/zinc/37/74/03/459377403.db2.gz FRSQQESWDMQUMM-OXJNMPFZSA-N 2 1 334.479 3.431 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CCC2 ZINC000591582959 459407378 /nfs/dbraw/zinc/40/73/78/459407378.db2.gz VOKDQTCYARPLHH-CABCVRRESA-N 2 1 346.471 3.406 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000582868880 459441996 /nfs/dbraw/zinc/44/19/96/459441996.db2.gz MVUXOSXVJFTURP-IBGZPJMESA-N 2 1 331.548 3.404 20 0 EGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000583021420 459469095 /nfs/dbraw/zinc/46/90/95/459469095.db2.gz HHMLQIRJFMSIPQ-HOTGVXAUSA-N 2 1 339.911 3.083 20 0 EGADMP CN(CCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000497170324 459471055 /nfs/dbraw/zinc/47/10/55/459471055.db2.gz WWYBOPDTCRSMSW-QGZVFWFLSA-N 2 1 339.524 3.194 20 0 EGADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000569811102 459514493 /nfs/dbraw/zinc/51/44/93/459514493.db2.gz KIVPIVYPCGMFBW-DKUWSORSSA-N 3 1 335.495 3.431 20 0 EGADMP [NH3+]Cc1ccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000569811102 459514494 /nfs/dbraw/zinc/51/44/94/459514494.db2.gz KIVPIVYPCGMFBW-DKUWSORSSA-N 2 1 335.495 3.431 20 0 EGADMP [NH3+]Cc1ccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000569811102 459514496 /nfs/dbraw/zinc/51/44/96/459514496.db2.gz KIVPIVYPCGMFBW-DKUWSORSSA-N 2 1 335.495 3.431 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCC(C)(C)CC3)CC2)CC1 ZINC000583330810 459522520 /nfs/dbraw/zinc/52/25/20/459522520.db2.gz LJRNPGZUXXABLP-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000562293754 459532600 /nfs/dbraw/zinc/53/26/00/459532600.db2.gz RTQWMKVCMPMEDX-UHFFFAOYSA-N 2 1 335.536 3.023 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](CCC)[NH2+]C(C)C)CC1 ZINC000498271522 459578015 /nfs/dbraw/zinc/57/80/15/459578015.db2.gz HWAYGXCEKSDGIF-GOSISDBHSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000542701804 459582985 /nfs/dbraw/zinc/58/29/85/459582985.db2.gz LCQXFOMUEZARAJ-QWNKOJSDSA-N 2 1 338.442 3.411 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000592487981 459612312 /nfs/dbraw/zinc/61/23/12/459612312.db2.gz DUTUPDCSSDGCTQ-CJNGLKHVSA-N 2 1 330.428 3.169 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000592487981 459612319 /nfs/dbraw/zinc/61/23/19/459612319.db2.gz DUTUPDCSSDGCTQ-CJNGLKHVSA-N 2 1 330.428 3.169 20 0 EGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000573116099 459628144 /nfs/dbraw/zinc/62/81/44/459628144.db2.gz LLGYIMKXAZAIGU-OTWHNJEPSA-N 2 1 336.907 3.413 20 0 EGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000573116099 459628147 /nfs/dbraw/zinc/62/81/47/459628147.db2.gz LLGYIMKXAZAIGU-OTWHNJEPSA-N 2 1 336.907 3.413 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000543431396 459656572 /nfs/dbraw/zinc/65/65/72/459656572.db2.gz GNMDGHQNSAOAEW-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP Fc1cccc(-c2noc([C@@H]3CCC[N@@H+](CC[C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000562836217 459657555 /nfs/dbraw/zinc/65/75/55/459657555.db2.gz XKVPSBBJGWRAEX-GOEBONIOSA-N 2 1 344.434 3.055 20 0 EGADMP COc1ccc([C@H]2C[C@H]([NH2+]Cc3c[nH+]ccc3N(C)C)C2)cc1F ZINC000500458185 459680269 /nfs/dbraw/zinc/68/02/69/459680269.db2.gz BEODWTJOSWEKST-KOMQPUFPSA-N 2 1 329.419 3.331 20 0 EGADMP Cc1nc2ccccc2n1C1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000573455754 459680832 /nfs/dbraw/zinc/68/08/32/459680832.db2.gz OVRGXOMLTOPRSB-UHFFFAOYSA-N 2 1 337.471 3.348 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](CNCc2ncc(Cl)cc2Br)C1 ZINC000527649302 459684605 /nfs/dbraw/zinc/68/46/05/459684605.db2.gz NHJUXSAMTGTZQP-NSHDSACASA-N 2 1 346.700 3.317 20 0 EGADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000573727698 459724751 /nfs/dbraw/zinc/72/47/51/459724751.db2.gz RLVJFGQRAPWCPB-IAGOWNOFSA-N 2 1 339.483 3.174 20 0 EGADMP C[C@H](CC(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)n1ccnc1 ZINC000563216547 459741892 /nfs/dbraw/zinc/74/18/92/459741892.db2.gz HWAOEIGRUDZRNW-OAHLLOKOSA-N 2 1 326.444 3.110 20 0 EGADMP C[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000545160760 459804593 /nfs/dbraw/zinc/80/45/93/459804593.db2.gz BAJAGXKTGYGNLD-OTYXRUKQSA-N 2 1 337.678 3.364 20 0 EGADMP CCC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000566171613 459818122 /nfs/dbraw/zinc/81/81/22/459818122.db2.gz OTIJOAVGFRIVKP-KRWDZBQOSA-N 2 1 345.531 3.455 20 0 EGADMP Cc1nn2c(C[NH2+]C[C@H]3CC[N@@H+](C(C)C)C3)c(C(C)C)nc2s1 ZINC000574590310 459838094 /nfs/dbraw/zinc/83/80/94/459838094.db2.gz OJNKACVHTNDCRD-CQSZACIVSA-N 2 1 335.521 3.043 20 0 EGADMP Cc1nn2c(C[NH2+]C[C@H]3CC[N@H+](C(C)C)C3)c(C(C)C)nc2s1 ZINC000574590310 459838100 /nfs/dbraw/zinc/83/81/00/459838100.db2.gz OJNKACVHTNDCRD-CQSZACIVSA-N 2 1 335.521 3.043 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cncc(Br)c1 ZINC000575002974 459907673 /nfs/dbraw/zinc/90/76/73/459907673.db2.gz ABTIKDIJZARCDZ-LBPRGKRZSA-N 2 1 326.282 3.369 20 0 EGADMP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(OC)cc1 ZINC000588689931 459970851 /nfs/dbraw/zinc/97/08/51/459970851.db2.gz STHKATZFOXMSQH-PZJWPPBQSA-N 2 1 342.483 3.229 20 0 EGADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(OC)cc1 ZINC000588689931 459970856 /nfs/dbraw/zinc/97/08/56/459970856.db2.gz STHKATZFOXMSQH-PZJWPPBQSA-N 2 1 342.483 3.229 20 0 EGADMP COC(=O)c1cccc(OC)c1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000602773868 460118564 /nfs/dbraw/zinc/11/85/64/460118564.db2.gz XPTWMXQHSRKMHJ-UHFFFAOYSA-N 2 1 348.487 3.034 20 0 EGADMP COC(=O)c1cccc(OC)c1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000602773868 460118568 /nfs/dbraw/zinc/11/85/68/460118568.db2.gz XPTWMXQHSRKMHJ-UHFFFAOYSA-N 2 1 348.487 3.034 20 0 EGADMP C[NH+](C)[C@@H](CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000618669061 460120123 /nfs/dbraw/zinc/12/01/23/460120123.db2.gz DVPKFICTWKFNJL-ICSRJNTNSA-N 2 1 343.515 3.203 20 0 EGADMP COC(=O)CC1CCC([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000599041621 460136389 /nfs/dbraw/zinc/13/63/89/460136389.db2.gz FVGNBFZOIZOSBN-PBHCIXSXSA-N 2 1 336.520 3.351 20 0 EGADMP O[C@@H](Cc1cccc(Cl)c1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000576607769 460178505 /nfs/dbraw/zinc/17/85/05/460178505.db2.gz GOKKHYHGDDFTBI-HKUYNNGSSA-N 2 1 336.907 3.051 20 0 EGADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623861792 460749029 /nfs/dbraw/zinc/74/90/29/460749029.db2.gz COBRXBPWSPZMKA-LBPRGKRZSA-N 2 1 336.373 3.463 20 0 EGADMP COC(=O)CCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000599338898 460232280 /nfs/dbraw/zinc/23/22/80/460232280.db2.gz IXWRMTUXMNTDEU-UHFFFAOYSA-N 2 1 344.499 3.318 20 0 EGADMP CC[C@H]1CCCCN1C(=O)C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061928 460358364 /nfs/dbraw/zinc/35/83/64/460358364.db2.gz ZJUMLOWYWIMSDQ-FQEVSTJZSA-N 2 1 345.531 3.361 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000611497759 460377119 /nfs/dbraw/zinc/37/71/19/460377119.db2.gz RCLYNIZGDIIVBI-QGZVFWFLSA-N 2 1 332.488 3.462 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000611497759 460377124 /nfs/dbraw/zinc/37/71/24/460377124.db2.gz RCLYNIZGDIIVBI-QGZVFWFLSA-N 2 1 332.488 3.462 20 0 EGADMP C[NH+]1CCN(C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000623015122 460384277 /nfs/dbraw/zinc/38/42/77/460384277.db2.gz GFFOBPYUSSFPJS-OAQYLSRUSA-N 2 1 329.532 3.172 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1C ZINC000600125826 460392413 /nfs/dbraw/zinc/39/24/13/460392413.db2.gz QNZHOWYHZRIVIY-KRWDZBQOSA-N 2 1 347.503 3.259 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1C ZINC000600125826 460392420 /nfs/dbraw/zinc/39/24/20/460392420.db2.gz QNZHOWYHZRIVIY-KRWDZBQOSA-N 2 1 347.503 3.259 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623861792 460749037 /nfs/dbraw/zinc/74/90/37/460749037.db2.gz COBRXBPWSPZMKA-LBPRGKRZSA-N 2 1 336.373 3.463 20 0 EGADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCc3ccc4ccccc4c3)CC2)C1 ZINC000604389373 460417282 /nfs/dbraw/zinc/41/72/82/460417282.db2.gz ZMAHJLDVYJFSMP-QFIPXVFZSA-N 2 1 337.511 3.094 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H](C)CCc2c[nH]c3ccccc23)CC1 ZINC000631572424 460449538 /nfs/dbraw/zinc/44/95/38/460449538.db2.gz BCAIAXCIEFMOBT-MRXNPFEDSA-N 2 1 329.488 3.189 20 0 EGADMP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634732223 460497669 /nfs/dbraw/zinc/49/76/69/460497669.db2.gz AZCWHFPABZRMRZ-CYBMUJFWSA-N 2 1 328.403 3.164 20 0 EGADMP CCN1CC[NH+](CCCC[NH2+]Cc2c(F)ccc(F)c2Cl)CC1 ZINC000623356699 460506580 /nfs/dbraw/zinc/50/65/80/460506580.db2.gz AZLOZFSFOVCVDF-UHFFFAOYSA-N 2 1 345.865 3.126 20 0 EGADMP C[N@@H+](CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1)CC(C)(C)C ZINC000635489042 460807133 /nfs/dbraw/zinc/80/71/33/460807133.db2.gz WUFZHJXKKRUISJ-UHFFFAOYSA-N 2 1 346.519 3.109 20 0 EGADMP Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NC[C@@H](O)C[NH+]1CCCC1 ZINC000629581507 460814693 /nfs/dbraw/zinc/81/46/93/460814693.db2.gz CMYIHHOJXHJKNM-PKOBYXMFSA-N 2 1 331.504 3.242 20 0 EGADMP Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NC[C@@H](O)C[NH+]1CCCC1 ZINC000629581507 460814697 /nfs/dbraw/zinc/81/46/97/460814697.db2.gz CMYIHHOJXHJKNM-PKOBYXMFSA-N 2 1 331.504 3.242 20 0 EGADMP CCCOc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629653321 460846893 /nfs/dbraw/zinc/84/68/93/460846893.db2.gz DYHQOXKVWPTVRR-GDBMZVCRSA-N 2 1 330.394 3.435 20 0 EGADMP CCCOc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629653321 460846902 /nfs/dbraw/zinc/84/69/02/460846902.db2.gz DYHQOXKVWPTVRR-GDBMZVCRSA-N 2 1 330.394 3.435 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCCC[NH+](C)C1 ZINC000624121124 460871463 /nfs/dbraw/zinc/87/14/63/460871463.db2.gz OORMREBVQNJWIP-HMXCVIKNSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCCC[N@H+](C)C1 ZINC000624121124 460871466 /nfs/dbraw/zinc/87/14/66/460871466.db2.gz OORMREBVQNJWIP-HMXCVIKNSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624121124 460871470 /nfs/dbraw/zinc/87/14/70/460871470.db2.gz OORMREBVQNJWIP-HMXCVIKNSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCC[NH+](C)C1 ZINC000624121124 460871474 /nfs/dbraw/zinc/87/14/74/460871474.db2.gz OORMREBVQNJWIP-HMXCVIKNSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCC[NH+](C)C1 ZINC000624121124 460871479 /nfs/dbraw/zinc/87/14/79/460871479.db2.gz OORMREBVQNJWIP-HMXCVIKNSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121124 460871483 /nfs/dbraw/zinc/87/14/83/460871483.db2.gz OORMREBVQNJWIP-HMXCVIKNSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121124 460871487 /nfs/dbraw/zinc/87/14/87/460871487.db2.gz OORMREBVQNJWIP-HMXCVIKNSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cncc(Br)c1 ZINC000624122965 460872682 /nfs/dbraw/zinc/87/26/82/460872682.db2.gz BUUUSYKGVDEINT-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cncc(Br)c1 ZINC000624122965 460872684 /nfs/dbraw/zinc/87/26/84/460872684.db2.gz BUUUSYKGVDEINT-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP C[C@@H]1Cc2ccc(-c3ccccc3CN3CC[NH+](C)CC3)cc2C[NH2+]1 ZINC000629735986 460897479 /nfs/dbraw/zinc/89/74/79/460897479.db2.gz KUUUIWXKFDPRPK-QGZVFWFLSA-N 2 1 335.495 3.135 20 0 EGADMP Fc1cc(Cl)ccc1N1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000624226067 460919248 /nfs/dbraw/zinc/91/92/48/460919248.db2.gz JGXZMFQWJQURBN-OAHLLOKOSA-N 2 1 337.870 3.274 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000628158470 461024022 /nfs/dbraw/zinc/02/40/22/461024022.db2.gz PFQQKPJOABVAJB-QZTJIDSGSA-N 2 1 340.515 3.158 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628216941 461053598 /nfs/dbraw/zinc/05/35/98/461053598.db2.gz GHOQIZCLGSJLQF-KRWDZBQOSA-N 2 1 344.421 3.074 20 0 EGADMP COc1ccc(COCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000608500409 461075882 /nfs/dbraw/zinc/07/58/82/461075882.db2.gz VXBQCAXJTAGDIR-IBGZPJMESA-N 2 1 332.488 3.020 20 0 EGADMP COc1ccc(COCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000608500409 461075886 /nfs/dbraw/zinc/07/58/86/461075886.db2.gz VXBQCAXJTAGDIR-IBGZPJMESA-N 2 1 332.488 3.020 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)o1 ZINC000608610829 461094239 /nfs/dbraw/zinc/09/42/39/461094239.db2.gz FLIBMBFBRAVMFL-SJORKVTESA-N 2 1 347.503 3.209 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000658985700 461124891 /nfs/dbraw/zinc/12/48/91/461124891.db2.gz GKEFOBAALHVGIL-UHFFFAOYSA-N 2 1 343.475 3.256 20 0 EGADMP Cc1cn2ccc(NC(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)cc2n1 ZINC000668151952 461137451 /nfs/dbraw/zinc/13/74/51/461137451.db2.gz UEWKHXPHRMUGBH-HNNXBMFYSA-N 2 1 343.475 3.276 20 0 EGADMP CCC[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000662256658 461143934 /nfs/dbraw/zinc/14/39/34/461143934.db2.gz MUQYMDMBESQISJ-AQNXPRMDSA-N 2 1 328.500 3.358 20 0 EGADMP CCC[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000662256669 461144702 /nfs/dbraw/zinc/14/47/02/461144702.db2.gz MUQYMDMBESQISJ-ZCNNSNEGSA-N 2 1 328.500 3.358 20 0 EGADMP Fc1ccc(SCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000662275131 461160361 /nfs/dbraw/zinc/16/03/61/461160361.db2.gz SLEJJQKEMPHAOY-UONOGXRCSA-N 2 1 326.456 3.378 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000662273025 461161172 /nfs/dbraw/zinc/16/11/72/461161172.db2.gz JMYNAAOGVFAMLP-IRXDYDNUSA-N 2 1 341.455 3.172 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641168435 461161426 /nfs/dbraw/zinc/16/14/26/461161426.db2.gz FEMUDLYWFFHARN-WMZOPIPTSA-N 2 1 347.894 3.243 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000668194626 461171939 /nfs/dbraw/zinc/17/19/39/461171939.db2.gz LBUVNQOCQSJGGE-XLIONFOSSA-N 2 1 332.488 3.018 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000668194626 461171950 /nfs/dbraw/zinc/17/19/50/461171950.db2.gz LBUVNQOCQSJGGE-XLIONFOSSA-N 2 1 332.488 3.018 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000668194626 461171960 /nfs/dbraw/zinc/17/19/60/461171960.db2.gz LBUVNQOCQSJGGE-XLIONFOSSA-N 2 1 332.488 3.018 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000668194626 461171970 /nfs/dbraw/zinc/17/19/70/461171970.db2.gz LBUVNQOCQSJGGE-XLIONFOSSA-N 2 1 332.488 3.018 20 0 EGADMP CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294748 461172754 /nfs/dbraw/zinc/17/27/54/461172754.db2.gz MHUAEAPWQUEUDB-LJQANCHMSA-N 2 1 343.515 3.208 20 0 EGADMP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295547 461176631 /nfs/dbraw/zinc/17/66/31/461176631.db2.gz GPBTVZBYKVUVCB-WBVHZDCISA-N 2 1 347.478 3.173 20 0 EGADMP CC[C@H](OCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000649566131 461180505 /nfs/dbraw/zinc/18/05/05/461180505.db2.gz CSLOTPKXYNZFBC-XSDIEEQYSA-N 2 1 346.515 3.338 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)[C@@H]1CCC[NH3+] ZINC000662313236 461186526 /nfs/dbraw/zinc/18/65/26/461186526.db2.gz HLABICHFMCLNOM-OZOXKJRCSA-N 2 1 343.515 3.093 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)[C@@H]2CCc3cc(OC)c(OC)cc32)C[C@@H]1C ZINC000638109763 461246047 /nfs/dbraw/zinc/24/60/47/461246047.db2.gz GPPGVSOWZMFAGW-QILLFSRXSA-N 2 1 332.488 3.496 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)[C@@H]2CCc3cc(OC)c(OC)cc32)C[C@@H]1C ZINC000638109763 461246053 /nfs/dbraw/zinc/24/60/53/461246053.db2.gz GPPGVSOWZMFAGW-QILLFSRXSA-N 2 1 332.488 3.496 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)[C@@H]2CCc3cc(OC)c(OC)cc32)C[C@@H]1C ZINC000638109763 461246059 /nfs/dbraw/zinc/24/60/59/461246059.db2.gz GPPGVSOWZMFAGW-QILLFSRXSA-N 2 1 332.488 3.496 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)[C@@H]2CCc3cc(OC)c(OC)cc32)C[C@@H]1C ZINC000638109763 461246065 /nfs/dbraw/zinc/24/60/65/461246065.db2.gz GPPGVSOWZMFAGW-QILLFSRXSA-N 2 1 332.488 3.496 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662458945 461252021 /nfs/dbraw/zinc/25/20/21/461252021.db2.gz AOCXGDYUGJRCEJ-IRXDYDNUSA-N 2 1 341.499 3.016 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000662459295 461252257 /nfs/dbraw/zinc/25/22/57/461252257.db2.gz FXRNYUOMESGRNZ-FHWLQOOXSA-N 2 1 337.552 3.111 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@H](C[NH+](C)CC3CC3)C1)CC2 ZINC000638134254 461263568 /nfs/dbraw/zinc/26/35/68/461263568.db2.gz NLDJNTKPJWVSMI-VQIMIIECSA-N 2 1 344.499 3.355 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@H](C[NH+](C)CC3CC3)C1)CC2 ZINC000638134254 461263573 /nfs/dbraw/zinc/26/35/73/461263573.db2.gz NLDJNTKPJWVSMI-VQIMIIECSA-N 2 1 344.499 3.355 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@H](C[N@H+](C)CC3CC3)C1)CC2 ZINC000638134254 461263580 /nfs/dbraw/zinc/26/35/80/461263580.db2.gz NLDJNTKPJWVSMI-VQIMIIECSA-N 2 1 344.499 3.355 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@H](C[N@@H+](C)CC3CC3)C1)CC2 ZINC000638134254 461263582 /nfs/dbraw/zinc/26/35/82/461263582.db2.gz NLDJNTKPJWVSMI-VQIMIIECSA-N 2 1 344.499 3.355 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@@H]3[C@@H](CCC[NH+]3C)C1)CC2 ZINC000638178584 461291715 /nfs/dbraw/zinc/29/17/15/461291715.db2.gz ORFAABHEPLWGJV-CGTJXYLNSA-N 2 1 330.472 3.107 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@@H]3[C@@H](CCC[N@@H+]3C)C1)CC2 ZINC000638178584 461291722 /nfs/dbraw/zinc/29/17/22/461291722.db2.gz ORFAABHEPLWGJV-CGTJXYLNSA-N 2 1 330.472 3.107 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@@H]3[C@@H](CCC[N@H+]3C)C1)CC2 ZINC000638178584 461291728 /nfs/dbraw/zinc/29/17/28/461291728.db2.gz ORFAABHEPLWGJV-CGTJXYLNSA-N 2 1 330.472 3.107 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(C)(C)Oc1ccccc1 ZINC000638181033 461293940 /nfs/dbraw/zinc/29/39/40/461293940.db2.gz LOFMUYGHRKPQKR-NEWSRXKRSA-N 2 1 332.488 3.028 20 0 EGADMP CC[NH+](CC)CCCNC(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662659115 461339151 /nfs/dbraw/zinc/33/91/51/461339151.db2.gz OZQUWIFKIXHBIU-OAHLLOKOSA-N 2 1 346.302 3.102 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3[NH2+]CCC3(C)C)cc2)C1 ZINC000662676492 461344144 /nfs/dbraw/zinc/34/41/44/461344144.db2.gz XJXWTHJTMBJVNI-QAPCUYQASA-N 2 1 329.488 3.245 20 0 EGADMP Clc1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000655699725 461371590 /nfs/dbraw/zinc/37/15/90/461371590.db2.gz AGKWBMDFUIWNFB-AWEZNQCLSA-N 2 1 328.909 3.177 20 0 EGADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000641807494 461381975 /nfs/dbraw/zinc/38/19/75/461381975.db2.gz VACVKXRJGMGEGZ-NEPJUHHUSA-N 2 1 349.784 3.013 20 0 EGADMP Fc1ccc2c(CC[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)c[nH]c2c1 ZINC000655713880 461384467 /nfs/dbraw/zinc/38/44/67/461384467.db2.gz YONCSUYUPJNJRA-GOSISDBHSA-N 2 1 345.462 3.083 20 0 EGADMP c1ccc2c(c1)SC[C@H]2C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655771625 461435089 /nfs/dbraw/zinc/43/50/89/461435089.db2.gz NZIGNDCYCMXUEE-NVXWUHKLSA-N 2 1 332.513 3.109 20 0 EGADMP Fc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655771153 461436282 /nfs/dbraw/zinc/43/62/82/461436282.db2.gz BHRREINFGFHBGZ-UZLBHIALSA-N 2 1 332.463 3.436 20 0 EGADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC[C@H]2CCc3ccccc32)CC1 ZINC000659891561 461485674 /nfs/dbraw/zinc/48/56/74/461485674.db2.gz OTQQOAQPVWUYGN-FXAWDEMLSA-N 2 1 330.516 3.131 20 0 EGADMP CC[C@@H](C[NH2+]C1CCN(c2ccccc2OC)CC1)[NH+]1CCCC1 ZINC000631039825 461490948 /nfs/dbraw/zinc/49/09/48/461490948.db2.gz MLVPKLNDXARHSK-SFHVURJKSA-N 2 1 331.504 3.128 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CS[C@@H](C)C3)CC2)cs1 ZINC000638622939 461508269 /nfs/dbraw/zinc/50/82/69/461508269.db2.gz DUCCOWLAYGTDFI-ZFWWWQNUSA-N 2 1 339.574 3.401 20 0 EGADMP CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000659957850 461517105 /nfs/dbraw/zinc/51/71/05/461517105.db2.gz YIYOYQBEUAOMRJ-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cc(F)ccc1F ZINC000638666113 461521601 /nfs/dbraw/zinc/52/16/01/461521601.db2.gz CKTJSMLVTFXLIR-KRWDZBQOSA-N 2 1 326.431 3.241 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000659980134 461526760 /nfs/dbraw/zinc/52/67/60/461526760.db2.gz RPBZJFOVCOGNGS-INIZCTEOSA-N 2 1 347.528 3.272 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659982454 461528696 /nfs/dbraw/zinc/52/86/96/461528696.db2.gz NHTDXVRWKDMMDD-YJBOKZPZSA-N 2 1 347.528 3.153 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659982454 461528707 /nfs/dbraw/zinc/52/87/07/461528707.db2.gz NHTDXVRWKDMMDD-YJBOKZPZSA-N 2 1 347.528 3.153 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659982454 461528712 /nfs/dbraw/zinc/52/87/12/461528712.db2.gz NHTDXVRWKDMMDD-YJBOKZPZSA-N 2 1 347.528 3.153 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2Sc3ccccc3NC2=O)C[C@@H]1C ZINC000659983088 461529048 /nfs/dbraw/zinc/52/90/48/461529048.db2.gz DEUGCNLBZXLAAI-MPGHIAIKSA-N 2 1 347.528 3.294 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2Sc3ccccc3NC2=O)C[C@@H]1C ZINC000659983088 461529056 /nfs/dbraw/zinc/52/90/56/461529056.db2.gz DEUGCNLBZXLAAI-MPGHIAIKSA-N 2 1 347.528 3.294 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2Sc3ccccc3NC2=O)C[C@@H]1C ZINC000659983088 461529065 /nfs/dbraw/zinc/52/90/65/461529065.db2.gz DEUGCNLBZXLAAI-MPGHIAIKSA-N 2 1 347.528 3.294 20 0 EGADMP c1cc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000663344402 461571081 /nfs/dbraw/zinc/57/10/81/461571081.db2.gz SWQDXXNWVOYCRL-HNNXBMFYSA-N 2 1 330.501 3.350 20 0 EGADMP c1cc(O[C@H]2CCOC2)ccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343722 461571181 /nfs/dbraw/zinc/57/11/81/461571181.db2.gz CMBCOKRPSKMGLE-CTNGQTDRSA-N 2 1 344.499 3.066 20 0 EGADMP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345239 461574683 /nfs/dbraw/zinc/57/46/83/461574683.db2.gz HFUNVQFXTFOQRD-MRXNPFEDSA-N 2 1 325.456 3.152 20 0 EGADMP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345239 461574691 /nfs/dbraw/zinc/57/46/91/461574691.db2.gz HFUNVQFXTFOQRD-MRXNPFEDSA-N 2 1 325.456 3.152 20 0 EGADMP CC(C)C(=O)NCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638805475 461589221 /nfs/dbraw/zinc/58/92/21/461589221.db2.gz JACBTZNWDCNTTQ-ICSRJNTNSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)C(=O)NCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638805475 461589227 /nfs/dbraw/zinc/58/92/27/461589227.db2.gz JACBTZNWDCNTTQ-ICSRJNTNSA-N 2 1 343.515 3.106 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2[C@H](C)C[NH+](C)[C@H](C)[C@H]2C)cc1)C(C)C ZINC000650149805 461601157 /nfs/dbraw/zinc/60/11/57/461601157.db2.gz KKPSRRILQDWPRG-KZNAEPCWSA-N 2 1 345.531 3.470 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)cc1)C(C)C ZINC000650149805 461601163 /nfs/dbraw/zinc/60/11/63/461601163.db2.gz KKPSRRILQDWPRG-KZNAEPCWSA-N 2 1 345.531 3.470 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@H]2C)cc1)C(C)C ZINC000650149805 461601170 /nfs/dbraw/zinc/60/11/70/461601170.db2.gz KKPSRRILQDWPRG-KZNAEPCWSA-N 2 1 345.531 3.470 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCSc1cccc(Cl)c1 ZINC000660145741 461605575 /nfs/dbraw/zinc/60/55/75/461605575.db2.gz XKTFEHVVTCCKGZ-UHFFFAOYSA-N 2 1 341.952 3.001 20 0 EGADMP c1ccc([C@@H]2C[C@@H](NCCC[NH+]3CCCC3)CC[N@H+]2C2CC2)cc1 ZINC000638849274 461614749 /nfs/dbraw/zinc/61/47/49/461614749.db2.gz RSWHSQLAAASUBZ-FPOVZHCZSA-N 3 1 327.516 3.430 20 0 EGADMP c1ccc([C@H]2C[C@H](NCCC[NH+]3CCCC3)CC[N@H+]2C2CC2)cc1 ZINC000638849276 461614925 /nfs/dbraw/zinc/61/49/25/461614925.db2.gz RSWHSQLAAASUBZ-TZIWHRDSSA-N 3 1 327.516 3.430 20 0 EGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000638853807 461618580 /nfs/dbraw/zinc/61/85/80/461618580.db2.gz KGAHJCNFNCBRPK-VQIMIIECSA-N 2 1 331.504 3.064 20 0 EGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638853804 461618814 /nfs/dbraw/zinc/61/88/14/461618814.db2.gz KGAHJCNFNCBRPK-APWZRJJASA-N 2 1 331.504 3.064 20 0 EGADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000638860535 461623391 /nfs/dbraw/zinc/62/33/91/461623391.db2.gz ZBDQHTQNGRKQJN-ZTTFOMCMSA-N 2 1 343.515 3.247 20 0 EGADMP Cc1ccnc(C)c1NC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000650189308 461631076 /nfs/dbraw/zinc/63/10/76/461631076.db2.gz CCMSBINXJDALCT-SFHVURJKSA-N 2 1 338.455 3.089 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000631195482 461634142 /nfs/dbraw/zinc/63/41/42/461634142.db2.gz YNYPFGKXVUSXAY-FXAWDEMLSA-N 2 1 339.483 3.338 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000631195482 461634153 /nfs/dbraw/zinc/63/41/53/461634153.db2.gz YNYPFGKXVUSXAY-FXAWDEMLSA-N 2 1 339.483 3.338 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1-n1ccnn1 ZINC000663465544 461655940 /nfs/dbraw/zinc/65/59/40/461655940.db2.gz KJMOOWLHUIVQGI-WMZOPIPTSA-N 2 1 339.487 3.040 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)c(C)n2n1 ZINC000663467186 461657743 /nfs/dbraw/zinc/65/77/43/461657743.db2.gz DDZZTQNWHCKJFT-QAPCUYQASA-N 2 1 341.503 3.119 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)c(C)n2n1 ZINC000663467186 461657750 /nfs/dbraw/zinc/65/77/50/461657750.db2.gz DDZZTQNWHCKJFT-QAPCUYQASA-N 2 1 341.503 3.119 20 0 EGADMP CCn1nccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000663470240 461659840 /nfs/dbraw/zinc/65/98/40/461659840.db2.gz UDJNTZXQINVTFL-HBMCJLEFSA-N 2 1 338.499 3.436 20 0 EGADMP CCn1nccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000663470240 461659849 /nfs/dbraw/zinc/65/98/49/461659849.db2.gz UDJNTZXQINVTFL-HBMCJLEFSA-N 2 1 338.499 3.436 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](CC(C)(C)c3ccccc3)CC2)CC1 ZINC000643295918 461672022 /nfs/dbraw/zinc/67/20/22/461672022.db2.gz UTDFRUJXWWVHFO-UHFFFAOYSA-N 2 1 343.559 3.456 20 0 EGADMP FC(F)(F)OCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639094425 461721962 /nfs/dbraw/zinc/72/19/62/461721962.db2.gz QWIZCGOBCMKEBT-HOCLYGCPSA-N 2 1 328.378 3.481 20 0 EGADMP FC(F)(F)OCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639094425 461721969 /nfs/dbraw/zinc/72/19/69/461721969.db2.gz QWIZCGOBCMKEBT-HOCLYGCPSA-N 2 1 328.378 3.481 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000643455472 461732718 /nfs/dbraw/zinc/73/27/18/461732718.db2.gz JUXSDBPEUZUJIW-XNRPHZJLSA-N 2 1 327.394 3.014 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])N1CCCC1 ZINC000643455778 461732736 /nfs/dbraw/zinc/73/27/36/461732736.db2.gz XMMICIOZEKOQLP-QRVBRYPASA-N 2 1 331.504 3.082 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2[C@@H]2CCCOC2)cc1 ZINC000656406070 461735672 /nfs/dbraw/zinc/73/56/72/461735672.db2.gz LTPUKYYTSOGRNO-QSUVIHHLSA-N 2 1 326.484 3.008 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2[C@@H]2CCCOC2)cc1 ZINC000656406070 461735679 /nfs/dbraw/zinc/73/56/79/461735679.db2.gz LTPUKYYTSOGRNO-QSUVIHHLSA-N 2 1 326.484 3.008 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2[C@@H]2CCCOC2)cc1 ZINC000656406070 461735684 /nfs/dbraw/zinc/73/56/84/461735684.db2.gz LTPUKYYTSOGRNO-QSUVIHHLSA-N 2 1 326.484 3.008 20 0 EGADMP c1cn(Cc2ccccc2)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647543159 461757757 /nfs/dbraw/zinc/75/77/57/461757757.db2.gz IIPIQZFNMXVJAJ-VQTJNVASSA-N 2 1 338.499 3.143 20 0 EGADMP COc1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)O[C@@H](C)C2 ZINC000647543717 461759718 /nfs/dbraw/zinc/75/97/18/461759718.db2.gz RLPPTYGUPFHEMH-BBWFWOEESA-N 2 1 344.499 3.230 20 0 EGADMP c1ccc(-c2ncc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC000647543605 461759987 /nfs/dbraw/zinc/75/99/87/461759987.db2.gz QEIISEANHJVYRY-PMACEKPBSA-N 2 1 336.483 3.355 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CC[NH2+]C4(CCC4)C2)C3)cc1 ZINC000643547831 461760348 /nfs/dbraw/zinc/76/03/48/461760348.db2.gz JOPJVHOEGNHNDG-BURNTYAHSA-N 2 1 339.527 3.446 20 0 EGADMP Cc1cc(CO)cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]1 ZINC000663700884 461763487 /nfs/dbraw/zinc/76/34/87/461763487.db2.gz UXXRZINENSTKTI-LPHOPBHVSA-N 2 1 325.456 3.347 20 0 EGADMP Cc1cc(CO)cc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]1 ZINC000663700884 461763494 /nfs/dbraw/zinc/76/34/94/461763494.db2.gz UXXRZINENSTKTI-LPHOPBHVSA-N 2 1 325.456 3.347 20 0 EGADMP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000666856353 461837269 /nfs/dbraw/zinc/83/72/69/461837269.db2.gz CNCKHPIJHZZCKH-IAGOWNOFSA-N 2 1 338.879 3.130 20 0 EGADMP COc1cc(C)c([C@@H](C)[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C ZINC000639286533 461843775 /nfs/dbraw/zinc/84/37/75/461843775.db2.gz BQMLFGCKOFYWEA-QGZVFWFLSA-N 2 1 332.488 3.170 20 0 EGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000660558320 461853214 /nfs/dbraw/zinc/85/32/14/461853214.db2.gz QTFXFAXBPRUMRG-KRWDZBQOSA-N 2 1 347.478 3.188 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000660558320 461853217 /nfs/dbraw/zinc/85/32/17/461853217.db2.gz QTFXFAXBPRUMRG-KRWDZBQOSA-N 2 1 347.478 3.188 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000660621363 461884379 /nfs/dbraw/zinc/88/43/79/461884379.db2.gz MJBXPSXNHYDBLV-DOTOQJQBSA-N 2 1 342.936 3.208 20 0 EGADMP Cc1cc(C[NH+]2CCC(C)([NH3+])CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000647924329 461889252 /nfs/dbraw/zinc/88/92/52/461889252.db2.gz YRUQDYZRKWSQLU-UHFFFAOYSA-N 2 1 330.863 3.419 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1OC ZINC000656784916 461894307 /nfs/dbraw/zinc/89/43/07/461894307.db2.gz ICCXTCWEZNXTEM-GOSISDBHSA-N 2 1 332.488 3.306 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3c(F)cccc3Cl)C2)C1 ZINC000650705639 461898342 /nfs/dbraw/zinc/89/83/42/461898342.db2.gz OQVHFGWTXYGVRX-XNJGSVPQSA-N 2 1 326.843 3.197 20 0 EGADMP CC(C)(C)c1ncc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650706323 461900181 /nfs/dbraw/zinc/90/01/81/461900181.db2.gz IUCMASZUXZZYJQ-DZKIICNBSA-N 2 1 337.533 3.159 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998330 461905883 /nfs/dbraw/zinc/90/58/83/461905883.db2.gz NXRNEBYYSCQLAY-QGZVFWFLSA-N 2 1 342.462 3.393 20 0 EGADMP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000647971835 461914119 /nfs/dbraw/zinc/91/41/19/461914119.db2.gz OASJGVAVWNVRFQ-MOPGFXCFSA-N 2 1 349.478 3.224 20 0 EGADMP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000647971835 461914126 /nfs/dbraw/zinc/91/41/26/461914126.db2.gz OASJGVAVWNVRFQ-MOPGFXCFSA-N 2 1 349.478 3.224 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2nc3ccc(F)cc3s2)C1 ZINC000650723357 461914118 /nfs/dbraw/zinc/91/41/18/461914118.db2.gz MHTBNSGFVCDHCB-BMFZPTHFSA-N 2 1 349.475 3.296 20 0 EGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723212 461914771 /nfs/dbraw/zinc/91/47/71/461914771.db2.gz JGWILRXXJJGBPT-BHIYHBOVSA-N 2 1 348.535 3.116 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc3ncccc3c2)C1 ZINC000650722582 461914859 /nfs/dbraw/zinc/91/48/59/461914859.db2.gz XGDRKFLLYVDLLQ-YZGWKJHDSA-N 2 1 325.456 3.096 20 0 EGADMP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647974961 461917824 /nfs/dbraw/zinc/91/78/24/461917824.db2.gz DIMQDSUBFSZPDM-JKSUJKDBSA-N 2 1 349.906 3.299 20 0 EGADMP CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976325 461918257 /nfs/dbraw/zinc/91/82/57/461918257.db2.gz NCCHGPKYLNBNAB-MOPGFXCFSA-N 2 1 343.515 3.208 20 0 EGADMP CCOc1ccccc1OCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977569 461919132 /nfs/dbraw/zinc/91/91/32/461919132.db2.gz DQEHVMBWERFADF-MSOLQXFVSA-N 2 1 332.488 3.176 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1C ZINC000647976501 461919417 /nfs/dbraw/zinc/91/94/17/461919417.db2.gz POCYLLADVSFFJC-OTWHNJEPSA-N 2 1 343.515 3.342 20 0 EGADMP Fc1ccc(COc2cccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)c2)c(F)c1 ZINC000648014257 461942759 /nfs/dbraw/zinc/94/27/59/461942759.db2.gz KGDURSCGKPXOFY-IRXDYDNUSA-N 2 1 344.405 3.195 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCc4cnccn4)CC[C@H]32)cc1 ZINC000639518386 461967062 /nfs/dbraw/zinc/96/70/62/461967062.db2.gz GHLNFCBHZNZETE-TZIWHRDSSA-N 2 1 336.483 3.006 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCc4cnccn4)CC[C@H]32)cc1 ZINC000639518386 461967066 /nfs/dbraw/zinc/96/70/66/461967066.db2.gz GHLNFCBHZNZETE-TZIWHRDSSA-N 2 1 336.483 3.006 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCc4cnccn4)CC[C@H]32)cc1 ZINC000639518386 461967070 /nfs/dbraw/zinc/96/70/70/461967070.db2.gz GHLNFCBHZNZETE-TZIWHRDSSA-N 2 1 336.483 3.006 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCc4cnccn4)CC[C@H]32)cc1 ZINC000639518386 461967074 /nfs/dbraw/zinc/96/70/74/461967074.db2.gz GHLNFCBHZNZETE-TZIWHRDSSA-N 2 1 336.483 3.006 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000644653684 462024012 /nfs/dbraw/zinc/02/40/12/462024012.db2.gz NOEKNUDCUUKKOA-HMXCVIKNSA-N 2 1 342.458 3.154 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000644653684 462024017 /nfs/dbraw/zinc/02/40/17/462024017.db2.gz NOEKNUDCUUKKOA-HMXCVIKNSA-N 2 1 342.458 3.154 20 0 EGADMP C[C@H]1C[C@H](CC[NH2+]Cc2cnc3n2CCC3)C[N@H+]1Cc1ccccc1 ZINC000657414567 462107714 /nfs/dbraw/zinc/10/77/14/462107714.db2.gz BSUWQIZXWVSUQN-HKUYNNGSSA-N 2 1 338.499 3.220 20 0 EGADMP C[C@H]1C[C@@H](N(C)Cc2cnc3n2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000667617892 462173969 /nfs/dbraw/zinc/17/39/69/462173969.db2.gz DOIQATAXPJHVOO-HKUYNNGSSA-N 2 1 338.499 3.314 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)cc2)C1 ZINC000657594563 462196275 /nfs/dbraw/zinc/19/62/75/462196275.db2.gz BRZUUEIUTPJNOE-BDTNDASRSA-N 2 1 336.479 3.147 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000667668593 462201155 /nfs/dbraw/zinc/20/11/55/462201155.db2.gz SJEIFOUCURTKAN-IEBWSBKVSA-N 2 1 334.504 3.407 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000667668593 462201160 /nfs/dbraw/zinc/20/11/60/462201160.db2.gz SJEIFOUCURTKAN-IEBWSBKVSA-N 2 1 334.504 3.407 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000667668593 462201163 /nfs/dbraw/zinc/20/11/63/462201163.db2.gz SJEIFOUCURTKAN-IEBWSBKVSA-N 2 1 334.504 3.407 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000667668593 462201167 /nfs/dbraw/zinc/20/11/67/462201167.db2.gz SJEIFOUCURTKAN-IEBWSBKVSA-N 2 1 334.504 3.407 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982147 462203389 /nfs/dbraw/zinc/20/33/89/462203389.db2.gz HOJDBIRAQUJONV-UHFFFAOYSA-N 2 1 347.478 3.413 20 0 EGADMP Cn1c2ccccc2nc1CC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639981921 462203923 /nfs/dbraw/zinc/20/39/23/462203923.db2.gz BLMRFEMCPAIEDJ-UHFFFAOYSA-N 2 1 326.488 3.066 20 0 EGADMP CCC1([NH+]2CCCC2)CC[NH+](CCC(=O)N(C)c2ccccc2)CC1 ZINC000639985945 462205638 /nfs/dbraw/zinc/20/56/38/462205638.db2.gz GELYLZVINKKIIU-UHFFFAOYSA-N 2 1 343.515 3.380 20 0 EGADMP [NH3+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000667729465 462234432 /nfs/dbraw/zinc/23/44/32/462234432.db2.gz IBPMTZTVAYZOKC-IBGZPJMESA-N 2 1 344.503 3.312 20 0 EGADMP CCC[NH+]1CCC([N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)CC1 ZINC000648725113 462246958 /nfs/dbraw/zinc/24/69/58/462246958.db2.gz DZLJSQASFFDJTK-UHFFFAOYSA-N 2 1 331.508 3.213 20 0 EGADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)CC[N@H+]1C ZINC000648738436 462254575 /nfs/dbraw/zinc/25/45/75/462254575.db2.gz SIBFBETXWFKVPD-GPMSIDNRSA-N 2 1 329.488 3.197 20 0 EGADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC[NH+]1C ZINC000648738436 462254582 /nfs/dbraw/zinc/25/45/82/462254582.db2.gz SIBFBETXWFKVPD-GPMSIDNRSA-N 2 1 329.488 3.197 20 0 EGADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC[NH+]1C ZINC000648738436 462254588 /nfs/dbraw/zinc/25/45/88/462254588.db2.gz SIBFBETXWFKVPD-GPMSIDNRSA-N 2 1 329.488 3.197 20 0 EGADMP COCCc1ccc(OC[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000667853920 462295857 /nfs/dbraw/zinc/29/58/57/462295857.db2.gz SVMUHJTYIRRYPR-UYAOXDASSA-N 2 1 348.531 3.353 20 0 EGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCCn4nccc43)C2)c1 ZINC000657861130 462300256 /nfs/dbraw/zinc/30/02/56/462300256.db2.gz PHCCDPLTGMNZAY-NVXWUHKLSA-N 2 1 330.501 3.281 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCCn4nccc43)C2)c1 ZINC000657861130 462300259 /nfs/dbraw/zinc/30/02/59/462300259.db2.gz PHCCDPLTGMNZAY-NVXWUHKLSA-N 2 1 330.501 3.281 20 0 EGADMP COC[C@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000651758877 462327597 /nfs/dbraw/zinc/32/75/97/462327597.db2.gz QXLGYCIXBUNKPE-PMACEKPBSA-N 2 1 348.531 3.184 20 0 EGADMP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000657969336 462332132 /nfs/dbraw/zinc/33/21/32/462332132.db2.gz NDXXRCXXFASHEA-YRPNKDGESA-N 2 1 328.500 3.168 20 0 EGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000651808339 462343890 /nfs/dbraw/zinc/34/38/90/462343890.db2.gz NKTFKFYMCBDQBD-SFHVURJKSA-N 2 1 326.488 3.309 20 0 EGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000651808339 462343899 /nfs/dbraw/zinc/34/38/99/462343899.db2.gz NKTFKFYMCBDQBD-SFHVURJKSA-N 2 1 326.488 3.309 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661666079 462357275 /nfs/dbraw/zinc/35/72/75/462357275.db2.gz RJWAHIFMHAGWFG-VQTJNVASSA-N 2 1 327.472 3.070 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661666079 462357281 /nfs/dbraw/zinc/35/72/81/462357281.db2.gz RJWAHIFMHAGWFG-VQTJNVASSA-N 2 1 327.472 3.070 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2Cl)C1)c1c[nH+]ccc1N ZINC000665233636 462362030 /nfs/dbraw/zinc/36/20/30/462362030.db2.gz MDWNRSZTNFGFDR-ZIAGYGMSSA-N 2 1 330.863 3.325 20 0 EGADMP Fc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC000665266435 462377254 /nfs/dbraw/zinc/37/72/54/462377254.db2.gz AZDZQLWIONAFDU-OTWHNJEPSA-N 2 1 326.415 3.212 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000665283833 462385053 /nfs/dbraw/zinc/38/50/53/462385053.db2.gz VVUAUFORXDCYHN-SNVBAGLBSA-N 2 1 339.361 3.440 20 0 EGADMP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)c2ccccc21 ZINC000665289612 462387711 /nfs/dbraw/zinc/38/77/11/462387711.db2.gz SOIXLGDKBZCDNC-BQJUDKOJSA-N 2 1 349.478 3.462 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](CO)CC2CC2)CC1 ZINC000658256991 462445515 /nfs/dbraw/zinc/44/55/15/462445515.db2.gz XYSYAHWLWWRFIP-MWXLCCTBSA-N 2 1 330.516 3.428 20 0 EGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652138525 462445905 /nfs/dbraw/zinc/44/59/05/462445905.db2.gz HNYYMHDABGFJAG-RHSMWYFYSA-N 2 1 348.487 3.237 20 0 EGADMP CCC1([NH+]2CCCC2)CCN(C(=O)Nc2cc[nH+]c(N(C)C)c2)CC1 ZINC000640595778 462450682 /nfs/dbraw/zinc/45/06/82/462450682.db2.gz WCGSUSAUAVGLAY-UHFFFAOYSA-N 2 1 345.491 3.020 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652154792 462455198 /nfs/dbraw/zinc/45/51/98/462455198.db2.gz OSDJXIYYXDMULV-IMJJTQAJSA-N 2 1 336.476 3.236 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652154792 462455201 /nfs/dbraw/zinc/45/52/01/462455201.db2.gz OSDJXIYYXDMULV-IMJJTQAJSA-N 2 1 336.476 3.236 20 0 EGADMP Cn1c[nH+]cc1CCC[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000662047754 462512295 /nfs/dbraw/zinc/51/22/95/462512295.db2.gz ACXCJAZXSFFPTL-UHFFFAOYSA-N 2 1 325.456 3.213 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](CCn1ccc3cc(Cl)ccc31)CCO2 ZINC000646106934 462519689 /nfs/dbraw/zinc/51/96/89/462519689.db2.gz YQRBGMJZBCCNJR-UHFFFAOYSA-N 2 1 347.890 3.091 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000178113116 533852948 /nfs/dbraw/zinc/85/29/48/533852948.db2.gz UUXFQHMQHWMHIL-IPPNXFFKSA-N 2 1 336.545 3.443 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000178113116 533852952 /nfs/dbraw/zinc/85/29/52/533852952.db2.gz UUXFQHMQHWMHIL-IPPNXFFKSA-N 2 1 336.545 3.443 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000189185045 534397454 /nfs/dbraw/zinc/39/74/54/534397454.db2.gz OIBNLZUKTHQWRH-PWRODBHTSA-N 2 1 330.516 3.224 20 0 EGADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(C)n1 ZINC000165304669 534751880 /nfs/dbraw/zinc/75/18/80/534751880.db2.gz AKYVZRMTANKNMY-JXFKEZNVSA-N 2 1 338.499 3.309 20 0 EGADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(C)n1 ZINC000165304669 534751886 /nfs/dbraw/zinc/75/18/86/534751886.db2.gz AKYVZRMTANKNMY-JXFKEZNVSA-N 2 1 338.499 3.309 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Br)s2)[C@H](C)C1 ZINC000154187808 527798462 /nfs/dbraw/zinc/79/84/62/527798462.db2.gz CBFMXLIUIHETSC-DGCLKSJQSA-N 2 1 331.323 3.373 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000153166761 527799955 /nfs/dbraw/zinc/79/99/55/527799955.db2.gz TUDMCRAJMUXREK-NVXWUHKLSA-N 2 1 334.504 3.301 20 0 EGADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000133024799 527886768 /nfs/dbraw/zinc/88/67/68/527886768.db2.gz CQLVGNNCXHCXGG-UKAVVXHISA-N 2 1 329.532 3.359 20 0 EGADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000133024799 527886770 /nfs/dbraw/zinc/88/67/70/527886770.db2.gz CQLVGNNCXHCXGG-UKAVVXHISA-N 2 1 329.532 3.359 20 0 EGADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000133024799 527886773 /nfs/dbraw/zinc/88/67/73/527886773.db2.gz CQLVGNNCXHCXGG-UKAVVXHISA-N 2 1 329.532 3.359 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N(C)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000153710112 528225582 /nfs/dbraw/zinc/22/55/82/528225582.db2.gz PHXNPTVQEJGXTD-LJQANCHMSA-N 2 1 342.487 3.123 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2F)[C@H](C)C1 ZINC000178468471 528669010 /nfs/dbraw/zinc/66/90/10/528669010.db2.gz SVCTUTLUUFGRPF-UWVAXJGDSA-N 2 1 336.495 3.483 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)C2)CC1 ZINC000187191526 529152715 /nfs/dbraw/zinc/15/27/15/529152715.db2.gz NWYCINIIEJPPDI-BHIFYINESA-N 2 1 341.543 3.209 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1)C(C)C ZINC000264162892 535782137 /nfs/dbraw/zinc/78/21/37/535782137.db2.gz BRWFPWMMQQRPJC-UHFFFAOYSA-N 2 1 331.504 3.133 20 0 EGADMP CN(C)c1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000124691704 546746877 /nfs/dbraw/zinc/74/68/77/546746877.db2.gz HYPLREUXZUFEKX-FQEVSTJZSA-N 2 1 338.499 3.102 20 0 EGADMP CN(C)c1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000124691704 546746884 /nfs/dbraw/zinc/74/68/84/546746884.db2.gz HYPLREUXZUFEKX-FQEVSTJZSA-N 2 1 338.499 3.102 20 0 EGADMP CN(C)c1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000124691704 546746888 /nfs/dbraw/zinc/74/68/88/546746888.db2.gz HYPLREUXZUFEKX-FQEVSTJZSA-N 2 1 338.499 3.102 20 0 EGADMP CN(C)c1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000124691704 546746893 /nfs/dbraw/zinc/74/68/93/546746893.db2.gz HYPLREUXZUFEKX-FQEVSTJZSA-N 2 1 338.499 3.102 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)N(CC)CC)cc2)CC1 ZINC000127340493 546768333 /nfs/dbraw/zinc/76/83/33/546768333.db2.gz ODUNKMFJBVGXSL-UHFFFAOYSA-N 2 1 331.504 3.133 20 0 EGADMP C[C@H](CC[N@@H+](C)CCC1CCOCC1)[NH+](C)CCC1CCOCC1 ZINC000153743181 546882959 /nfs/dbraw/zinc/88/29/59/546882959.db2.gz PVUQNAXVDJPYIP-GOSISDBHSA-N 2 1 340.552 3.262 20 0 EGADMP C[C@H](CC[NH+](C)CCC1CCOCC1)[N@H+](C)CCC1CCOCC1 ZINC000153743181 546882962 /nfs/dbraw/zinc/88/29/62/546882962.db2.gz PVUQNAXVDJPYIP-GOSISDBHSA-N 2 1 340.552 3.262 20 0 EGADMP C[C@H](CC[NH+](C)CCC1CCOCC1)[N@@H+](C)CCC1CCOCC1 ZINC000153743181 546882964 /nfs/dbraw/zinc/88/29/64/546882964.db2.gz PVUQNAXVDJPYIP-GOSISDBHSA-N 2 1 340.552 3.262 20 0 EGADMP Cn1cc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000314456785 547464223 /nfs/dbraw/zinc/46/42/23/547464223.db2.gz GTACVWLQDAUZDU-HXUWFJFHSA-N 2 1 340.515 3.243 20 0 EGADMP Cn1cc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000314456785 547464230 /nfs/dbraw/zinc/46/42/30/547464230.db2.gz GTACVWLQDAUZDU-HXUWFJFHSA-N 2 1 340.515 3.243 20 0 EGADMP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070974 547567735 /nfs/dbraw/zinc/56/77/35/547567735.db2.gz NMHZYSYXFWQRRK-MOPGFXCFSA-N 2 1 332.488 3.127 20 0 EGADMP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339070974 547567741 /nfs/dbraw/zinc/56/77/41/547567741.db2.gz NMHZYSYXFWQRRK-MOPGFXCFSA-N 2 1 332.488 3.127 20 0 EGADMP COCCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070975 547567822 /nfs/dbraw/zinc/56/78/22/547567822.db2.gz NMHZYSYXFWQRRK-OALUTQOASA-N 2 1 332.488 3.127 20 0 EGADMP COCCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339070975 547567826 /nfs/dbraw/zinc/56/78/26/547567826.db2.gz NMHZYSYXFWQRRK-OALUTQOASA-N 2 1 332.488 3.127 20 0 EGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339069468 547568307 /nfs/dbraw/zinc/56/83/07/547568307.db2.gz VXSVFDMEDMDVEJ-MJGOQNOKSA-N 2 1 329.488 3.388 20 0 EGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339069468 547568310 /nfs/dbraw/zinc/56/83/10/547568310.db2.gz VXSVFDMEDMDVEJ-MJGOQNOKSA-N 2 1 329.488 3.388 20 0 EGADMP Fc1ccc(CN2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339074888 547569392 /nfs/dbraw/zinc/56/93/92/547569392.db2.gz MPAKTDGQQADNSE-PMACEKPBSA-N 2 1 331.479 3.007 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(OC)c1 ZINC000339066102 547569503 /nfs/dbraw/zinc/56/95/03/547569503.db2.gz BCZPPUDIXCTGMZ-IRFCIJBXSA-N 2 1 345.531 3.295 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000339250082 547572479 /nfs/dbraw/zinc/57/24/79/547572479.db2.gz VRZZVISGNPJCDL-ICSRJNTNSA-N 2 1 343.515 3.204 20 0 EGADMP C[C@@H]1[NH+](CCCCC[N@H+]2CCOC(C)(C)[C@@H]2C)CCOC1(C)C ZINC000357649094 547739389 /nfs/dbraw/zinc/73/93/89/547739389.db2.gz ISUPCVNKBYYTTF-IRXDYDNUSA-N 2 1 326.525 3.155 20 0 EGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000385723544 547822444 /nfs/dbraw/zinc/82/24/44/547822444.db2.gz JMSHXLUYZJPBDC-LEWJYISDSA-N 2 1 340.515 3.410 20 0 EGADMP COc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)sn1 ZINC000399140348 547836812 /nfs/dbraw/zinc/83/68/12/547836812.db2.gz UEDCBOBOQKMSPA-YOEHRIQHSA-N 2 1 331.485 3.152 20 0 EGADMP C[NH2+]CCN(C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414718895 547859816 /nfs/dbraw/zinc/85/98/16/547859816.db2.gz WVONZQFMAGTRNL-UHFFFAOYSA-N 2 1 332.492 3.134 20 0 EGADMP OC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000671497766 548299063 /nfs/dbraw/zinc/29/90/63/548299063.db2.gz YUQIWZFHOZWBPK-QMCAAQAGSA-N 2 1 342.527 3.428 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(OC)cc1 ZINC000675883198 548996394 /nfs/dbraw/zinc/99/63/94/548996394.db2.gz XSQHFXHDIHOJOQ-UXHICEINSA-N 2 1 332.488 3.379 20 0 EGADMP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000675882022 548996969 /nfs/dbraw/zinc/99/69/69/548996969.db2.gz PLWCDFJDYJXOHD-OXQOHEQNSA-N 2 1 332.488 3.379 20 0 EGADMP Clc1cscc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000678223582 549429821 /nfs/dbraw/zinc/42/98/21/549429821.db2.gz JEYJAFNSBRMIHK-UHFFFAOYSA-N 2 1 328.909 3.336 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC000678285381 549459644 /nfs/dbraw/zinc/45/96/44/549459644.db2.gz ZOFRYPIOUZXZCB-UHFFFAOYSA-N 2 1 344.503 3.133 20 0 EGADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2n[nH]c3ccccc32)CC1 ZINC000678285381 549459650 /nfs/dbraw/zinc/45/96/50/549459650.db2.gz ZOFRYPIOUZXZCB-UHFFFAOYSA-N 2 1 344.503 3.133 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2n[nH]c3ccccc32)CC1 ZINC000678285381 549459655 /nfs/dbraw/zinc/45/96/55/549459655.db2.gz ZOFRYPIOUZXZCB-UHFFFAOYSA-N 2 1 344.503 3.133 20 0 EGADMP CC(C)Cc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000678719584 549547350 /nfs/dbraw/zinc/54/73/50/549547350.db2.gz NPSAYYNIFXBRQD-QFIPXVFZSA-N 2 1 343.559 3.485 20 0 EGADMP CC(C)(C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000678729395 549549419 /nfs/dbraw/zinc/54/94/19/549549419.db2.gz BQJDSJPEXKDHQF-QFIPXVFZSA-N 2 1 338.495 3.191 20 0 EGADMP CC(C)(C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000678729395 549549425 /nfs/dbraw/zinc/54/94/25/549549425.db2.gz BQJDSJPEXKDHQF-QFIPXVFZSA-N 2 1 338.495 3.191 20 0 EGADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000678802839 549564552 /nfs/dbraw/zinc/56/45/52/549564552.db2.gz CWCRZSPHBPERRY-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H]([NH2+]CC1(O)CCC(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679326565 549688847 /nfs/dbraw/zinc/68/88/47/549688847.db2.gz YEDXQAFVJVMBPN-JLMIFGBASA-N 2 1 330.516 3.428 20 0 EGADMP CC[C@H](C)Oc1cc(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1OC ZINC000679364620 549696900 /nfs/dbraw/zinc/69/69/00/549696900.db2.gz HYCNMIDUZLDITI-RYQLBKOJSA-N 2 1 332.488 3.399 20 0 EGADMP C[N@H+]1CC[C@@H]2CCN(Cc3cnn(Cc4ccccc4Cl)c3)[C@H]2C1 ZINC000679364578 549697193 /nfs/dbraw/zinc/69/71/93/549697193.db2.gz HLXCXTKPBDPUBV-APWZRJJASA-N 2 1 344.890 3.111 20 0 EGADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000679839423 549779451 /nfs/dbraw/zinc/77/94/51/549779451.db2.gz XKLFFPGYDIJCEO-GFOJFJKKSA-N 2 1 338.499 3.162 20 0 EGADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000679839420 549779569 /nfs/dbraw/zinc/77/95/69/549779569.db2.gz XKLFFPGYDIJCEO-AYWYSENESA-N 2 1 338.499 3.162 20 0 EGADMP OCc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000680144308 549826965 /nfs/dbraw/zinc/82/69/65/549826965.db2.gz MWTPLXXRGIFNHW-DUXKGJEZSA-N 2 1 340.467 3.162 20 0 EGADMP OCc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000680144308 549826967 /nfs/dbraw/zinc/82/69/67/549826967.db2.gz MWTPLXXRGIFNHW-DUXKGJEZSA-N 2 1 340.467 3.162 20 0 EGADMP COCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC[C@@H](C)C1 ZINC000683001378 550176862 /nfs/dbraw/zinc/17/68/62/550176862.db2.gz UBWRKTOQQZRGAL-MJGOQNOKSA-N 2 1 334.504 3.264 20 0 EGADMP Cc1ccnc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000683010392 550178288 /nfs/dbraw/zinc/17/82/88/550178288.db2.gz ACQJKUZVZWSEPG-UHFFFAOYSA-N 2 1 344.547 3.018 20 0 EGADMP CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000683722666 550254830 /nfs/dbraw/zinc/25/48/30/550254830.db2.gz SIQGOPNMGCCIER-NRFANRHFSA-N 2 1 346.515 3.288 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683774991 550260462 /nfs/dbraw/zinc/26/04/62/550260462.db2.gz PUMJGYVJKMLEKJ-QFIPXVFZSA-N 2 1 347.462 3.091 20 0 EGADMP C/C(=C/c1ccccc1)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457977 550419011 /nfs/dbraw/zinc/41/90/11/550419011.db2.gz VRGAQWCTNRZOCC-WOBAJENOSA-N 2 1 327.516 3.190 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000685464422 550420362 /nfs/dbraw/zinc/42/03/62/550420362.db2.gz IAVHVQKENXHLGQ-UXHICEINSA-N 2 1 346.515 3.266 20 0 EGADMP O[C@H](C[N@H+](Cc1ccc(F)cc1)C1CCCCC1)C[NH+]1CCCC1 ZINC000726068363 574538574 /nfs/dbraw/zinc/53/85/74/574538574.db2.gz WDEFXCBHJUFSLJ-FQEVSTJZSA-N 2 1 334.479 3.417 20 0 EGADMP O[C@H](C[N@@H+](Cc1ccc(F)cc1)C1CCCCC1)C[NH+]1CCCC1 ZINC000726068363 574538577 /nfs/dbraw/zinc/53/85/77/574538577.db2.gz WDEFXCBHJUFSLJ-FQEVSTJZSA-N 2 1 334.479 3.417 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000728572145 574759124 /nfs/dbraw/zinc/75/91/24/574759124.db2.gz SKSBUSOXISOCBG-SFHVURJKSA-N 2 1 326.431 3.050 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000732275755 575252917 /nfs/dbraw/zinc/25/29/17/575252917.db2.gz AWZDINDHPKKHMX-AZUAARDMSA-N 2 1 345.531 3.450 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000732275755 575252920 /nfs/dbraw/zinc/25/29/20/575252920.db2.gz AWZDINDHPKKHMX-AZUAARDMSA-N 2 1 345.531 3.450 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000732275755 575252923 /nfs/dbraw/zinc/25/29/23/575252923.db2.gz AWZDINDHPKKHMX-AZUAARDMSA-N 2 1 345.531 3.450 20 0 EGADMP C[C@H]1C[C@H](C)C[NH+](CCCCNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000733187018 575318224 /nfs/dbraw/zinc/31/82/24/575318224.db2.gz KDRGWESRFDSXTC-IRXDYDNUSA-N 2 1 331.508 3.247 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccccc3C)cc2)CC1 ZINC000061070147 1291959000 /nfs/dbraw/zinc/95/90/00/1291959000.db2.gz ARGHLEBBYWDPJI-UHFFFAOYSA-N 2 1 337.511 3.422 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OC)c2OC(F)F)C1 ZINC000063917704 1292031002 /nfs/dbraw/zinc/03/10/02/1292031002.db2.gz HIWCNNSPROYVIB-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OC)c2OC(F)F)C1 ZINC000063917704 1292031013 /nfs/dbraw/zinc/03/10/13/1292031013.db2.gz HIWCNNSPROYVIB-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000067223182 1292154976 /nfs/dbraw/zinc/15/49/76/1292154976.db2.gz OHPZSPWCCZEXLI-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000067223182 1292154982 /nfs/dbraw/zinc/15/49/82/1292154982.db2.gz OHPZSPWCCZEXLI-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP COc1cccc2cc(C[NH2+]CCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)oc21 ZINC000067452866 1292160593 /nfs/dbraw/zinc/16/05/93/1292160593.db2.gz XYVJDPFJAIPZER-IYBDPMFKSA-N 2 1 346.471 3.420 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000069160395 1292232917 /nfs/dbraw/zinc/23/29/17/1292232917.db2.gz USQKUIWCHWCCNC-HXUWFJFHSA-N 2 1 340.515 3.370 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000069160395 1292232925 /nfs/dbraw/zinc/23/29/25/1292232925.db2.gz USQKUIWCHWCCNC-HXUWFJFHSA-N 2 1 340.515 3.370 20 0 EGADMP C[C@H](C[NH2+]Cc1ccccc1OCc1ccccn1)C[NH+]1CCCC1 ZINC000069752061 1292251190 /nfs/dbraw/zinc/25/11/90/1292251190.db2.gz ZERQFUYRMZQLOS-GOSISDBHSA-N 2 1 339.483 3.482 20 0 EGADMP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3-c3ccccc3)CC2)C1 ZINC000827698883 1292357706 /nfs/dbraw/zinc/35/77/06/1292357706.db2.gz CGUIRHXURWEQCF-NRFANRHFSA-N 2 1 336.479 3.385 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CC2(Cl)Cl)[C@H](C)C1 ZINC000828936824 1292518923 /nfs/dbraw/zinc/51/89/23/1292518923.db2.gz VDCHCTHHFHAPED-QLFBSQMISA-N 2 1 337.335 3.297 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000108428727 1293080675 /nfs/dbraw/zinc/08/06/75/1293080675.db2.gz RALZCRJQJADOGI-MRXNPFEDSA-N 2 1 330.451 3.060 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000108428727 1293080681 /nfs/dbraw/zinc/08/06/81/1293080681.db2.gz RALZCRJQJADOGI-MRXNPFEDSA-N 2 1 330.451 3.060 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000120142683 1293306638 /nfs/dbraw/zinc/30/66/38/1293306638.db2.gz MNRSWLXVQCAYCV-DLBZAZTESA-N 2 1 334.504 3.489 20 0 EGADMP C[N@@H+](CCc1cccc(OC(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC000120332535 1293315956 /nfs/dbraw/zinc/31/59/56/1293315956.db2.gz NHZYMXQVISINDP-UHFFFAOYSA-N 2 1 330.394 3.401 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc3cnccn23)C1 ZINC000156613837 1294151346 /nfs/dbraw/zinc/15/13/46/1294151346.db2.gz HHYPRCHUJUCSKW-QGZVFWFLSA-N 2 1 349.482 3.251 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1([NH+](C)C)CCC1 ZINC000158735171 1294214146 /nfs/dbraw/zinc/21/41/46/1294214146.db2.gz IFOYCOKJAHRACK-KRWDZBQOSA-N 2 1 343.515 3.162 20 0 EGADMP CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166567934 1294362752 /nfs/dbraw/zinc/36/27/52/1294362752.db2.gz CSUDIXSQZZOJFJ-GVDBMIGSSA-N 2 1 339.524 3.142 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000166569255 1294362818 /nfs/dbraw/zinc/36/28/18/1294362818.db2.gz OVXOODPSCPENFS-XJKCOSOUSA-N 2 1 329.271 3.243 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000166569255 1294362825 /nfs/dbraw/zinc/36/28/25/1294362825.db2.gz OVXOODPSCPENFS-XJKCOSOUSA-N 2 1 329.271 3.243 20 0 EGADMP C[C@H]([NH2+]CC(=O)NC1CCCCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185731205 1295281568 /nfs/dbraw/zinc/28/15/68/1295281568.db2.gz IDWOOYVFGSBLBI-ZWKOTPCHSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@H]([NH2+]CC(=O)NC1CCCCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185731205 1295281573 /nfs/dbraw/zinc/28/15/73/1295281573.db2.gz IDWOOYVFGSBLBI-ZWKOTPCHSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000870949510 1296149325 /nfs/dbraw/zinc/14/93/25/1296149325.db2.gz HNNVRHDLMOFVKO-DSJDWBEOSA-N 2 1 343.515 3.014 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(F)c3Br)C[C@@H]21 ZINC000230132033 1296160985 /nfs/dbraw/zinc/16/09/85/1296160985.db2.gz FZCCBDLLRTZYAZ-SCDSUCTJSA-N 2 1 327.241 3.147 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(F)c3Br)C[C@@H]21 ZINC000230132033 1296160988 /nfs/dbraw/zinc/16/09/88/1296160988.db2.gz FZCCBDLLRTZYAZ-SCDSUCTJSA-N 2 1 327.241 3.147 20 0 EGADMP C[N@@H+](Cc1c(F)ccc(Br)c1F)C1CCC([NH3+])CC1 ZINC000230320053 1296162874 /nfs/dbraw/zinc/16/28/74/1296162874.db2.gz IEQXQEFNWQFICR-UHFFFAOYSA-N 2 1 333.220 3.429 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000236811326 1296204431 /nfs/dbraw/zinc/20/44/31/1296204431.db2.gz FYELOVLKJMNMHO-OAHLLOKOSA-N 2 1 332.879 3.347 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000236811326 1296204433 /nfs/dbraw/zinc/20/44/33/1296204433.db2.gz FYELOVLKJMNMHO-OAHLLOKOSA-N 2 1 332.879 3.347 20 0 EGADMP FC(F)(F)COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000237686470 1296257749 /nfs/dbraw/zinc/25/77/49/1296257749.db2.gz HREPGTJRHSZXIF-HOTGVXAUSA-N 2 1 328.378 3.344 20 0 EGADMP FC(F)(F)COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000237686470 1296257761 /nfs/dbraw/zinc/25/77/61/1296257761.db2.gz HREPGTJRHSZXIF-HOTGVXAUSA-N 2 1 328.378 3.344 20 0 EGADMP Clc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc2c1OCCO2 ZINC000237818245 1296266640 /nfs/dbraw/zinc/26/66/40/1296266640.db2.gz GFADDLNCOYSGPJ-UHFFFAOYSA-N 2 1 336.863 3.075 20 0 EGADMP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245823091 1296324767 /nfs/dbraw/zinc/32/47/67/1296324767.db2.gz FBLUAQKZYQIYNR-ROUUACIJSA-N 2 1 348.535 3.006 20 0 EGADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245823091 1296324784 /nfs/dbraw/zinc/32/47/84/1296324784.db2.gz FBLUAQKZYQIYNR-ROUUACIJSA-N 2 1 348.535 3.006 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247660602 1296398561 /nfs/dbraw/zinc/39/85/61/1296398561.db2.gz XWPMVRUIVVUAFG-IRXDYDNUSA-N 2 1 339.524 3.098 20 0 EGADMP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261605018 1296593308 /nfs/dbraw/zinc/59/33/08/1296593308.db2.gz CSVUPHKXXPFNQT-GXTWGEPZSA-N 2 1 328.287 3.034 20 0 EGADMP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261605018 1296593318 /nfs/dbraw/zinc/59/33/18/1296593318.db2.gz CSVUPHKXXPFNQT-GXTWGEPZSA-N 2 1 328.287 3.034 20 0 EGADMP C[NH2+]CCC1CC[NH+]([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000262002897 1296614815 /nfs/dbraw/zinc/61/48/15/1296614815.db2.gz QLEZWICJFPDRAU-HNNXBMFYSA-N 2 1 328.460 3.043 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262007849 1296615218 /nfs/dbraw/zinc/61/52/18/1296615218.db2.gz LZOJTVMXFGGXMQ-UHFFFAOYSA-N 2 1 344.890 3.410 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCN(Cc2ccccc2)c2ccccn2)CC[N@H+]1C ZINC000872123639 1296750614 /nfs/dbraw/zinc/75/06/14/1296750614.db2.gz YYZMIZGWGVUTOU-ICSRJNTNSA-N 2 1 338.499 3.161 20 0 EGADMP CC1(C)CCc2onc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)c2C1 ZINC000872145620 1296768323 /nfs/dbraw/zinc/76/83/23/1296768323.db2.gz VGCKDMGAEHRKIZ-BJZITVGISA-N 2 1 347.503 3.050 20 0 EGADMP CC1(C)CCc2onc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)c2C1 ZINC000872145620 1296768336 /nfs/dbraw/zinc/76/83/36/1296768336.db2.gz VGCKDMGAEHRKIZ-BJZITVGISA-N 2 1 347.503 3.050 20 0 EGADMP CNC(=O)c1cccc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c1 ZINC000872156389 1296776638 /nfs/dbraw/zinc/77/66/38/1296776638.db2.gz IVTOOUAKGARGHV-PXNSSMCTSA-N 2 1 343.515 3.166 20 0 EGADMP [NH3+][C@H](C[C@H]1CCC[N@H+](Cc2nccn2C(F)F)C1)C1CCCC1 ZINC000872157742 1296777234 /nfs/dbraw/zinc/77/72/34/1296777234.db2.gz QKIJELXANUQUSU-UKRRQHHQSA-N 2 1 326.435 3.398 20 0 EGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](Cc2nccn2C(F)F)C1)C1CCCC1 ZINC000872157742 1296777244 /nfs/dbraw/zinc/77/72/44/1296777244.db2.gz QKIJELXANUQUSU-UKRRQHHQSA-N 2 1 326.435 3.398 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000300367892 1296781462 /nfs/dbraw/zinc/78/14/62/1296781462.db2.gz NLMXJHULBDMERA-HOTGVXAUSA-N 2 1 327.513 3.142 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872280489 1296889586 /nfs/dbraw/zinc/88/95/86/1296889586.db2.gz MSRKBUBVAAJWMQ-MANSERQUSA-N 2 1 335.536 3.007 20 0 EGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000305110718 1296980355 /nfs/dbraw/zinc/98/03/55/1296980355.db2.gz CVXHOKCMDCIHBY-ZWKOTPCHSA-N 2 1 340.870 3.337 20 0 EGADMP CCN1CCC([N@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000305714482 1297031136 /nfs/dbraw/zinc/03/11/36/1297031136.db2.gz TUDLWCBQZIPCPD-MRXNPFEDSA-N 2 1 331.287 3.443 20 0 EGADMP CCN1CCC([N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000305714482 1297031147 /nfs/dbraw/zinc/03/11/47/1297031147.db2.gz TUDLWCBQZIPCPD-MRXNPFEDSA-N 2 1 331.287 3.443 20 0 EGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000305714482 1297031162 /nfs/dbraw/zinc/03/11/62/1297031162.db2.gz TUDLWCBQZIPCPD-MRXNPFEDSA-N 2 1 331.287 3.443 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000305714482 1297031176 /nfs/dbraw/zinc/03/11/76/1297031176.db2.gz TUDLWCBQZIPCPD-MRXNPFEDSA-N 2 1 331.287 3.443 20 0 EGADMP C[C@]1(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311229008 1297105636 /nfs/dbraw/zinc/10/56/36/1297105636.db2.gz YXRQHUDEEZLLPV-FNAHDJPLSA-N 2 1 341.543 3.409 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000311229008 1297105644 /nfs/dbraw/zinc/10/56/44/1297105644.db2.gz YXRQHUDEEZLLPV-FNAHDJPLSA-N 3 1 341.543 3.409 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311229008 1297105651 /nfs/dbraw/zinc/10/56/51/1297105651.db2.gz YXRQHUDEEZLLPV-FNAHDJPLSA-N 3 1 341.543 3.409 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)[C@@H](n2cncn2)C1 ZINC000340471525 1297313016 /nfs/dbraw/zinc/31/30/16/1297313016.db2.gz CETWIQPAEAYWQF-YRXWBPOGSA-N 2 1 333.524 3.110 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)[C@H](n2cncn2)C1 ZINC000340465265 1297313669 /nfs/dbraw/zinc/31/36/69/1297313669.db2.gz HJWAVMVDHSIVHN-VSZNYVQBSA-N 2 1 333.524 3.108 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)[C@H](n2cncn2)C1 ZINC000340465265 1297313685 /nfs/dbraw/zinc/31/36/85/1297313685.db2.gz HJWAVMVDHSIVHN-VSZNYVQBSA-N 2 1 333.524 3.108 20 0 EGADMP COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873204351 1297351120 /nfs/dbraw/zinc/35/11/20/1297351120.db2.gz DLZOFZMTCPROJO-AWEZNQCLSA-N 2 1 330.497 3.465 20 0 EGADMP CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccc(OC)cc1OC ZINC000873209830 1297351873 /nfs/dbraw/zinc/35/18/73/1297351873.db2.gz TWJMWBOXGYOPAY-UHFFFAOYSA-N 2 1 346.496 3.433 20 0 EGADMP C[C@@H](CC[NH2+]C[C@@H](O)c1ccc(F)cc1F)[N@H+](C)Cc1ccccc1 ZINC000379632365 1297535790 /nfs/dbraw/zinc/53/57/90/1297535790.db2.gz NQJQPQHXDDARQE-MGPUTAFESA-N 2 1 348.437 3.498 20 0 EGADMP C[C@@H](CC[NH2+]C[C@@H](O)c1ccc(F)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000379632365 1297535799 /nfs/dbraw/zinc/53/57/99/1297535799.db2.gz NQJQPQHXDDARQE-MGPUTAFESA-N 2 1 348.437 3.498 20 0 EGADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000383326311 1297569917 /nfs/dbraw/zinc/56/99/17/1297569917.db2.gz CMBMZRGMDHYDJZ-PXNSSMCTSA-N 2 1 344.886 3.485 20 0 EGADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(F)cccc1F ZINC000386011996 1297587043 /nfs/dbraw/zinc/58/70/43/1297587043.db2.gz VLKPQXCFWMIHPQ-QFBILLFUSA-N 2 1 346.421 3.110 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000390705061 1297632167 /nfs/dbraw/zinc/63/21/67/1297632167.db2.gz GBIIGOXJXLCHEJ-QGZVFWFLSA-N 2 1 347.503 3.106 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000390705061 1297632176 /nfs/dbraw/zinc/63/21/76/1297632176.db2.gz GBIIGOXJXLCHEJ-QGZVFWFLSA-N 2 1 347.503 3.106 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)CC[N@H+]1C ZINC000401330596 1297739688 /nfs/dbraw/zinc/73/96/88/1297739688.db2.gz POIVXHNNLZLXII-CRAIPNDOSA-N 2 1 347.503 3.284 20 0 EGADMP CC1(C)CCC(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000702624063 1298194883 /nfs/dbraw/zinc/19/48/83/1298194883.db2.gz JLZRAMHHISHEKD-NRFANRHFSA-N 2 1 330.516 3.429 20 0 EGADMP CC1(C)CCC(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000702624063 1298194893 /nfs/dbraw/zinc/19/48/93/1298194893.db2.gz JLZRAMHHISHEKD-NRFANRHFSA-N 2 1 330.516 3.429 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(O)c(F)c1 ZINC000708552619 1298243807 /nfs/dbraw/zinc/24/38/07/1298243807.db2.gz WIWTZKCGICRUDK-MAUKXSAKSA-N 2 1 328.431 3.389 20 0 EGADMP Cc1ccc(C)c(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000711726575 1298262260 /nfs/dbraw/zinc/26/22/60/1298262260.db2.gz QCBDCXSZHGHQGR-JOCHJYFZSA-N 2 1 338.495 3.372 20 0 EGADMP Cc1ccc(C)c(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000711726575 1298262263 /nfs/dbraw/zinc/26/22/63/1298262263.db2.gz QCBDCXSZHGHQGR-JOCHJYFZSA-N 2 1 338.495 3.372 20 0 EGADMP Cc1ccc(C)c(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000711726575 1298262265 /nfs/dbraw/zinc/26/22/65/1298262265.db2.gz QCBDCXSZHGHQGR-JOCHJYFZSA-N 2 1 338.495 3.372 20 0 EGADMP Cc1ccc(C)c(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000711726575 1298262267 /nfs/dbraw/zinc/26/22/67/1298262267.db2.gz QCBDCXSZHGHQGR-JOCHJYFZSA-N 2 1 338.495 3.372 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000746363544 1298575689 /nfs/dbraw/zinc/57/56/89/1298575689.db2.gz AVXHARDLVOIYQU-OAHLLOKOSA-N 2 1 332.517 3.438 20 0 EGADMP Cc1ccc([C@H](O)C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)o1 ZINC000747099567 1298726665 /nfs/dbraw/zinc/72/66/65/1298726665.db2.gz GDKUBBOWTWVPMC-GOSISDBHSA-N 2 1 330.472 3.369 20 0 EGADMP Cc1ccc([C@H](O)C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)o1 ZINC000747099567 1298726672 /nfs/dbraw/zinc/72/66/72/1298726672.db2.gz GDKUBBOWTWVPMC-GOSISDBHSA-N 2 1 330.472 3.369 20 0 EGADMP ClC1(Cl)C[C@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000876920431 1299065934 /nfs/dbraw/zinc/06/59/34/1299065934.db2.gz RHRREVZBGBSLLL-HNNXBMFYSA-N 2 1 327.299 3.477 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2nc(Cl)cs2)cc1 ZINC000877007315 1299111795 /nfs/dbraw/zinc/11/17/95/1299111795.db2.gz LWXJQVRSJVEOHP-UHFFFAOYSA-N 2 1 339.892 3.417 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H]3CC3(Cl)Cl)CC2)oc1C ZINC000877008902 1299112023 /nfs/dbraw/zinc/11/20/23/1299112023.db2.gz RCLVXGIDNGNYCH-CQSZACIVSA-N 2 1 346.302 3.287 20 0 EGADMP C[C@H]1COCC[N@@H+](CCCCCCCC[NH+]2CCOC[C@@H](C)C2)C1 ZINC000754382193 1300133319 /nfs/dbraw/zinc/13/33/19/1300133319.db2.gz VPRKZULAWGBTET-BGYRXZFFSA-N 2 1 340.552 3.264 20 0 EGADMP C[C@H]1COCC[NH+](CCCCCCCC[N@@H+]2CCOC[C@@H](C)C2)C1 ZINC000754382193 1300133324 /nfs/dbraw/zinc/13/33/24/1300133324.db2.gz VPRKZULAWGBTET-BGYRXZFFSA-N 2 1 340.552 3.264 20 0 EGADMP C[C@H]1COCC[NH+](CCCCCCCC[N@H+]2CCOC[C@@H](C)C2)C1 ZINC000754382193 1300133328 /nfs/dbraw/zinc/13/33/28/1300133328.db2.gz VPRKZULAWGBTET-BGYRXZFFSA-N 2 1 340.552 3.264 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000759046034 1301004872 /nfs/dbraw/zinc/00/48/72/1301004872.db2.gz DNKKQQOIXNYWTR-RVSPLBMKSA-N 2 1 328.859 3.317 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000759046034 1301004883 /nfs/dbraw/zinc/00/48/83/1301004883.db2.gz DNKKQQOIXNYWTR-RVSPLBMKSA-N 2 1 328.859 3.317 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000759046034 1301004894 /nfs/dbraw/zinc/00/48/94/1301004894.db2.gz DNKKQQOIXNYWTR-RVSPLBMKSA-N 2 1 328.859 3.317 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000759046034 1301004906 /nfs/dbraw/zinc/00/49/06/1301004906.db2.gz DNKKQQOIXNYWTR-RVSPLBMKSA-N 2 1 328.859 3.317 20 0 EGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759860243 1301178712 /nfs/dbraw/zinc/17/87/12/1301178712.db2.gz ZJUXWBRHMMZOBH-WMLDXEAASA-N 2 1 328.859 3.319 20 0 EGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759860243 1301178716 /nfs/dbraw/zinc/17/87/16/1301178716.db2.gz ZJUXWBRHMMZOBH-WMLDXEAASA-N 2 1 328.859 3.319 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759860243 1301178727 /nfs/dbraw/zinc/17/87/27/1301178727.db2.gz ZJUXWBRHMMZOBH-WMLDXEAASA-N 2 1 328.859 3.319 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759860243 1301178728 /nfs/dbraw/zinc/17/87/28/1301178728.db2.gz ZJUXWBRHMMZOBH-WMLDXEAASA-N 2 1 328.859 3.319 20 0 EGADMP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000760830160 1301346256 /nfs/dbraw/zinc/34/62/56/1301346256.db2.gz FTJRHMSLIPHZDX-SJORKVTESA-N 2 1 339.524 3.192 20 0 EGADMP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000760830160 1301346264 /nfs/dbraw/zinc/34/62/64/1301346264.db2.gz FTJRHMSLIPHZDX-SJORKVTESA-N 2 1 339.524 3.192 20 0 EGADMP CN(C(=O)OC(C)(C)C)[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000760830160 1301346272 /nfs/dbraw/zinc/34/62/72/1301346272.db2.gz FTJRHMSLIPHZDX-SJORKVTESA-N 2 1 339.524 3.192 20 0 EGADMP CN(C(=O)OC(C)(C)C)[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000760830160 1301346284 /nfs/dbraw/zinc/34/62/84/1301346284.db2.gz FTJRHMSLIPHZDX-SJORKVTESA-N 2 1 339.524 3.192 20 0 EGADMP CN(C[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000760837641 1301347592 /nfs/dbraw/zinc/34/75/92/1301347592.db2.gz ZUUFZNWHNNEZMB-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP CN(C[C@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000760837641 1301347598 /nfs/dbraw/zinc/34/75/98/1301347598.db2.gz ZUUFZNWHNNEZMB-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP CN(C[C@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000760837641 1301347607 /nfs/dbraw/zinc/34/76/07/1301347607.db2.gz ZUUFZNWHNNEZMB-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000762649471 1301721465 /nfs/dbraw/zinc/72/14/65/1301721465.db2.gz MMXDMPYLXIRNII-ROUUACIJSA-N 2 1 342.487 3.024 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000762649471 1301721472 /nfs/dbraw/zinc/72/14/72/1301721472.db2.gz MMXDMPYLXIRNII-ROUUACIJSA-N 2 1 342.487 3.024 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000763409883 1301897692 /nfs/dbraw/zinc/89/76/92/1301897692.db2.gz KHOGPIHNOWTOAE-IZZBFERCSA-N 2 1 348.531 3.225 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)[C@@H](C)C1 ZINC000765750647 1302317817 /nfs/dbraw/zinc/31/78/17/1302317817.db2.gz CEVBREXAPUWFHJ-RDJZCZTQSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH2+][C@@H](CC(C)C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000884218332 1302774186 /nfs/dbraw/zinc/77/41/86/1302774186.db2.gz LRGDSWCDBURQEU-HOJAQTOUSA-N 2 1 345.531 3.132 20 0 EGADMP CCc1nn(C)c(Cl)c1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000768927225 1303014074 /nfs/dbraw/zinc/01/40/74/1303014074.db2.gz RODWTLWSOFAXCJ-UHFFFAOYSA-N 2 1 326.916 3.188 20 0 EGADMP C[NH+](CC[C@@H]1CCCO1)[C@H]1CC[C@H]([N@@H+](C)CC[C@@H]2CCCO2)CC1 ZINC000886389821 1303454204 /nfs/dbraw/zinc/45/42/04/1303454204.db2.gz ZAUQPYOQCAEBJL-MUGJNUQGSA-N 2 1 338.536 3.299 20 0 EGADMP COc1cccc(OCC[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c1 ZINC000886664422 1303545070 /nfs/dbraw/zinc/54/50/70/1303545070.db2.gz LXUDQYSEWXPLPI-UHFFFAOYSA-N 2 1 329.444 3.294 20 0 EGADMP CC[N@H+](CC[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C)C(C)C ZINC000772874276 1303587727 /nfs/dbraw/zinc/58/77/27/1303587727.db2.gz AFUYSWXNCWMCQZ-DLBZAZTESA-N 2 1 341.540 3.484 20 0 EGADMP CC[N@@H+](CC[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C)C(C)C ZINC000772874276 1303587732 /nfs/dbraw/zinc/58/77/32/1303587732.db2.gz AFUYSWXNCWMCQZ-DLBZAZTESA-N 2 1 341.540 3.484 20 0 EGADMP Fc1ccc(-c2cc(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)on2)cc1 ZINC000886869879 1303620608 /nfs/dbraw/zinc/62/06/08/1303620608.db2.gz KIINILAOAZDGLX-LJQANCHMSA-N 2 1 329.419 3.446 20 0 EGADMP Fc1ccc(-c2cc(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)on2)cc1 ZINC000886869879 1303620616 /nfs/dbraw/zinc/62/06/16/1303620616.db2.gz KIINILAOAZDGLX-LJQANCHMSA-N 2 1 329.419 3.446 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000773416327 1303676504 /nfs/dbraw/zinc/67/65/04/1303676504.db2.gz PGGMKOWPQXPUHM-IBGZPJMESA-N 2 1 346.515 3.420 20 0 EGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000887133279 1303686024 /nfs/dbraw/zinc/68/60/24/1303686024.db2.gz XXVACLHPEJCHHW-QGZVFWFLSA-N 2 1 345.450 3.249 20 0 EGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000887133279 1303686027 /nfs/dbraw/zinc/68/60/27/1303686027.db2.gz XXVACLHPEJCHHW-QGZVFWFLSA-N 2 1 345.450 3.249 20 0 EGADMP CN(c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1)C1CC[NH+](C)CC1 ZINC000774280106 1303793344 /nfs/dbraw/zinc/79/33/44/1303793344.db2.gz CJGOQONSMBZUAY-PRJVBOEPSA-N 2 1 342.531 3.254 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000775374905 1303948416 /nfs/dbraw/zinc/94/84/16/1303948416.db2.gz HOZMTKQJLVJWKS-WCXIOVBPSA-N 2 1 328.591 3.468 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000888572939 1304200290 /nfs/dbraw/zinc/20/02/90/1304200290.db2.gz ZQBQAIJCFQAELY-UHFFFAOYSA-N 2 1 338.455 3.386 20 0 EGADMP CC[NH+](CC)CCOc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000777656800 1304331055 /nfs/dbraw/zinc/33/10/55/1304331055.db2.gz LHKKGAZLGDHFCO-AEFFLSMTSA-N 2 1 349.519 3.310 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000779344900 1304560062 /nfs/dbraw/zinc/56/00/62/1304560062.db2.gz KZHFYYNIZRBXMR-OAQYLSRUSA-N 2 1 345.506 3.379 20 0 EGADMP C[C@H]1CC[C@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000783234765 1305068695 /nfs/dbraw/zinc/06/86/95/1305068695.db2.gz SSUGVNANLJGZKX-OXJNMPFZSA-N 2 1 332.488 3.064 20 0 EGADMP FC(F)(F)Cc1ncc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)s1 ZINC000891725583 1305147827 /nfs/dbraw/zinc/14/78/27/1305147827.db2.gz RUFYUDXJNNLRDB-SNVBAGLBSA-N 2 1 330.379 3.351 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000785433880 1305349249 /nfs/dbraw/zinc/34/92/49/1305349249.db2.gz OJJBLMBVLVVSGN-JXFKEZNVSA-N 2 1 342.487 3.088 20 0 EGADMP Cn1ncc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1C1CC1 ZINC000892737299 1305529139 /nfs/dbraw/zinc/52/91/39/1305529139.db2.gz ASQAVZLEDPOZEE-OAHLLOKOSA-N 2 1 344.528 3.361 20 0 EGADMP Cn1ncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1C1CC1 ZINC000892737299 1305529145 /nfs/dbraw/zinc/52/91/45/1305529145.db2.gz ASQAVZLEDPOZEE-OAHLLOKOSA-N 2 1 344.528 3.361 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786783642 1305629801 /nfs/dbraw/zinc/62/98/01/1305629801.db2.gz NBLDWOYLLQTXON-IAGOWNOFSA-N 2 1 344.503 3.131 20 0 EGADMP CCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(C)n1 ZINC000893021650 1305662689 /nfs/dbraw/zinc/66/26/89/1305662689.db2.gz VVJGPKWRMKCANE-MAUKXSAKSA-N 2 1 332.517 3.446 20 0 EGADMP CCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C)n1 ZINC000893021650 1305662695 /nfs/dbraw/zinc/66/26/95/1305662695.db2.gz VVJGPKWRMKCANE-MAUKXSAKSA-N 2 1 332.517 3.446 20 0 EGADMP Cn1ncc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000894226322 1306288374 /nfs/dbraw/zinc/28/83/74/1306288374.db2.gz IVXLIRRSRWMITQ-NRFANRHFSA-N 2 1 338.499 3.299 20 0 EGADMP Cn1ncc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000894226322 1306288382 /nfs/dbraw/zinc/28/83/82/1306288382.db2.gz IVXLIRRSRWMITQ-NRFANRHFSA-N 2 1 338.499 3.299 20 0 EGADMP CC(C)OCC[NH+]1CCC(NCc2cccc3c2NCCC3)CC1 ZINC000894324272 1306343256 /nfs/dbraw/zinc/34/32/56/1306343256.db2.gz WRWGPFCVDLHQQV-UHFFFAOYSA-N 2 1 331.504 3.024 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cccc3c2NCCC3)CC1 ZINC000894324272 1306343268 /nfs/dbraw/zinc/34/32/68/1306343268.db2.gz WRWGPFCVDLHQQV-UHFFFAOYSA-N 2 1 331.504 3.024 20 0 EGADMP CC(C)OC(=O)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000894490653 1308918233 /nfs/dbraw/zinc/91/82/33/1308918233.db2.gz RLWXXKDJHMNSFV-IPQPSQTFSA-N 2 1 330.472 3.284 20 0 EGADMP CC(C)OC(=O)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000894490653 1308918244 /nfs/dbraw/zinc/91/82/44/1308918244.db2.gz RLWXXKDJHMNSFV-IPQPSQTFSA-N 2 1 330.472 3.284 20 0 EGADMP CC(C)CC[NH+]1CCC(Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)CC1 ZINC000894569656 1308960115 /nfs/dbraw/zinc/96/01/15/1308960115.db2.gz MAQVNVMIXDLLFG-OAQYLSRUSA-N 2 1 345.531 3.176 20 0 EGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000895376713 1309305726 /nfs/dbraw/zinc/30/57/26/1309305726.db2.gz IPVLAWDOLOHSCB-HKUYNNGSSA-N 2 1 330.520 3.234 20 0 EGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000895376713 1309305734 /nfs/dbraw/zinc/30/57/34/1309305734.db2.gz IPVLAWDOLOHSCB-HKUYNNGSSA-N 2 1 330.520 3.234 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccccc1 ZINC000895799209 1309526099 /nfs/dbraw/zinc/52/60/99/1309526099.db2.gz OMGDTMHSBCMYMS-OALUTQOASA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000895986317 1309630202 /nfs/dbraw/zinc/63/02/02/1309630202.db2.gz UMMFTKWGGQJRSS-QGZVFWFLSA-N 2 1 347.528 3.047 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000895986317 1309630206 /nfs/dbraw/zinc/63/02/06/1309630206.db2.gz UMMFTKWGGQJRSS-QGZVFWFLSA-N 2 1 347.528 3.047 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795099092 1309667870 /nfs/dbraw/zinc/66/78/70/1309667870.db2.gz GHQAIOGOLDFCIG-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795099092 1309667876 /nfs/dbraw/zinc/66/78/76/1309667876.db2.gz GHQAIOGOLDFCIG-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP C[C@@H](CC[NH2+]CC1CCC2(CC1)OCCO2)[N@@H+](C)Cc1ccccc1 ZINC000795934311 1309864938 /nfs/dbraw/zinc/86/49/38/1309864938.db2.gz IKUNASGURJRZNT-SFHVURJKSA-N 2 1 346.515 3.420 20 0 EGADMP Clc1nc2cc(Cl)ccn2c1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000796267797 1309948731 /nfs/dbraw/zinc/94/87/31/1309948731.db2.gz YZRCPFZQODHLBK-CHWSQXEVSA-N 2 1 339.270 3.358 20 0 EGADMP CCCCCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000796385134 1309988305 /nfs/dbraw/zinc/98/83/05/1309988305.db2.gz RYCAWEKNJTVUNF-OAQYLSRUSA-N 2 1 329.532 3.459 20 0 EGADMP CCN(C(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000857310862 1328528296 /nfs/dbraw/zinc/52/82/96/1328528296.db2.gz JEGKOBVFCDTRJU-WOJBJXKFSA-N 2 1 343.515 3.052 20 0 EGADMP CCN(C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)[C@@H]1CC[NH+](CC)C1 ZINC000857310862 1328528300 /nfs/dbraw/zinc/52/83/00/1328528300.db2.gz JEGKOBVFCDTRJU-WOJBJXKFSA-N 2 1 343.515 3.052 20 0 EGADMP CCN(C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[C@@H]1CC[NH+](CC)C1 ZINC000857310862 1328528302 /nfs/dbraw/zinc/52/83/02/1328528302.db2.gz JEGKOBVFCDTRJU-WOJBJXKFSA-N 2 1 343.515 3.052 20 0 EGADMP CCN(C(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000857310861 1328528031 /nfs/dbraw/zinc/52/80/31/1328528031.db2.gz JEGKOBVFCDTRJU-VQTJNVASSA-N 2 1 343.515 3.052 20 0 EGADMP CCN(C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)[C@@H]1CC[NH+](CC)C1 ZINC000857310861 1328528034 /nfs/dbraw/zinc/52/80/34/1328528034.db2.gz JEGKOBVFCDTRJU-VQTJNVASSA-N 2 1 343.515 3.052 20 0 EGADMP CCN(C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[C@@H]1CC[NH+](CC)C1 ZINC000857310861 1328528038 /nfs/dbraw/zinc/52/80/38/1328528038.db2.gz JEGKOBVFCDTRJU-VQTJNVASSA-N 2 1 343.515 3.052 20 0 EGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001018966400 1316988346 /nfs/dbraw/zinc/98/83/46/1316988346.db2.gz HRTZRNQDPCZUTP-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001018967970 1316989074 /nfs/dbraw/zinc/98/90/74/1316989074.db2.gz NTYRLEWXXPPRBG-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP Cc1cc(C[NH2+][C@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)cs1 ZINC001018968218 1316989180 /nfs/dbraw/zinc/98/91/80/1316989180.db2.gz YGOIRMSMOSDADA-ZWKOTPCHSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1[nH]c(C2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CC2)[nH+]c1C ZINC000899512394 1317065495 /nfs/dbraw/zinc/06/54/95/1317065495.db2.gz YUQLLVDROBEFGW-GOSISDBHSA-N 2 1 344.503 3.140 20 0 EGADMP Cc1[nH]c(C2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)CC2)[nH+]c1C ZINC000899512394 1317065504 /nfs/dbraw/zinc/06/55/04/1317065504.db2.gz YUQLLVDROBEFGW-GOSISDBHSA-N 2 1 344.503 3.140 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(CC)C1C[NH+](CCC(C)C)C1 ZINC000957118133 1317197956 /nfs/dbraw/zinc/19/79/56/1317197956.db2.gz XMKMAPRDSWFHOO-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(CC)C1C[NH+](CCC(C)C)C1 ZINC000957118133 1317197962 /nfs/dbraw/zinc/19/79/62/1317197962.db2.gz XMKMAPRDSWFHOO-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001019468051 1317262939 /nfs/dbraw/zinc/26/29/39/1317262939.db2.gz FFZAKTPGWYLPDU-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@H+]1CC)C1C[NH+](CC2CCCCCC2)C1 ZINC000957424531 1317349290 /nfs/dbraw/zinc/34/92/90/1317349290.db2.gz ZXCBRLBVOOVZTB-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC(N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000957445605 1317367924 /nfs/dbraw/zinc/36/79/24/1317367924.db2.gz QCHROXOZQOOLSG-UHFFFAOYSA-N 2 1 335.492 3.068 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)C1C[NH+](CCC2CC2)C1 ZINC000957445658 1317368630 /nfs/dbraw/zinc/36/86/30/1317368630.db2.gz RVGZNNVIWLMLTG-UHFFFAOYSA-N 2 1 347.503 3.068 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000957551991 1317447793 /nfs/dbraw/zinc/44/77/93/1317447793.db2.gz CZLLXMPMKJQIIG-GUDVDZBRSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)CC1 ZINC000957603709 1317492825 /nfs/dbraw/zinc/49/28/25/1317492825.db2.gz VPVABFFEWKRIHC-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)CC1 ZINC000957621057 1317501592 /nfs/dbraw/zinc/50/15/92/1317501592.db2.gz VPFATGDUPHBPGT-OALUTQOASA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CCC2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)CC2)CC1 ZINC000957650711 1317522332 /nfs/dbraw/zinc/52/23/32/1317522332.db2.gz SHFLBCCMBKULRO-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000902332220 1317564142 /nfs/dbraw/zinc/56/41/42/1317564142.db2.gz DEJQXOVXBVREKJ-GOEBONIOSA-N 2 1 349.906 3.203 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1)c1ccccc1 ZINC001020174610 1317574413 /nfs/dbraw/zinc/57/44/13/1317574413.db2.gz JDQCRWNJUIVDTG-VYJAJWGXSA-N 2 1 343.515 3.105 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001020214429 1317596276 /nfs/dbraw/zinc/59/62/76/1317596276.db2.gz STMINAKGVXDRIW-FRYIKTPZSA-N 2 1 343.515 3.167 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](OCC)C2)[C@@H](C)C1 ZINC000902806753 1317618518 /nfs/dbraw/zinc/61/85/18/1317618518.db2.gz NTTCPVRFCABIDW-MANSERQUSA-N 2 1 326.525 3.061 20 0 EGADMP CC[N@@H+](CC1CCCC1)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000957772880 1317636827 /nfs/dbraw/zinc/63/68/27/1317636827.db2.gz RKRUFGBQQOPBKE-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CC1CCCC1)CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000957772880 1317636834 /nfs/dbraw/zinc/63/68/34/1317636834.db2.gz RKRUFGBQQOPBKE-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CC1CCCC1)CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000957772880 1317636841 /nfs/dbraw/zinc/63/68/41/1317636841.db2.gz RKRUFGBQQOPBKE-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](CC1CCC1)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC000957777952 1317642078 /nfs/dbraw/zinc/64/20/78/1317642078.db2.gz FLHAVQRUAHXLDI-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC1CCC1)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000957777952 1317642086 /nfs/dbraw/zinc/64/20/86/1317642086.db2.gz FLHAVQRUAHXLDI-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC1CCC1)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000957777952 1317642094 /nfs/dbraw/zinc/64/20/94/1317642094.db2.gz FLHAVQRUAHXLDI-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000957779779 1317642696 /nfs/dbraw/zinc/64/26/96/1317642696.db2.gz YNZXAPONZMJKQR-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP COc1cccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[NH+](C)C)c1 ZINC000903055655 1317643590 /nfs/dbraw/zinc/64/35/90/1317643590.db2.gz IZPYKDMBPNDSLE-VZKPYBMVSA-N 2 1 343.515 3.045 20 0 EGADMP COc1cccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)N(C)C)c1 ZINC000903055655 1317643601 /nfs/dbraw/zinc/64/36/01/1317643601.db2.gz IZPYKDMBPNDSLE-VZKPYBMVSA-N 2 1 343.515 3.045 20 0 EGADMP COc1cccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)N(C)C)c1 ZINC000903055655 1317643609 /nfs/dbraw/zinc/64/36/09/1317643609.db2.gz IZPYKDMBPNDSLE-VZKPYBMVSA-N 2 1 343.515 3.045 20 0 EGADMP CC(C)Oc1ccc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903099041 1317653469 /nfs/dbraw/zinc/65/34/69/1317653469.db2.gz XPTFHDJRIKKPPV-ZJVRTDGDSA-N 2 1 344.499 3.255 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccccc1Cl)C2 ZINC000903115855 1317655818 /nfs/dbraw/zinc/65/58/18/1317655818.db2.gz DOORWOVDAGHMLX-LRMKFPBYSA-N 2 1 336.907 3.470 20 0 EGADMP CC[C@H]([NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O)c1ccccc1F ZINC000903116604 1317656016 /nfs/dbraw/zinc/65/60/16/1317656016.db2.gz SFJMJYFEGFAWNL-MDMHHNQBSA-N 2 1 334.479 3.346 20 0 EGADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000903118899 1317657267 /nfs/dbraw/zinc/65/72/67/1317657267.db2.gz YEFAGNPNMBERMD-UYYRZJCPSA-N 2 1 334.479 3.264 20 0 EGADMP COc1ccc2c(c1)CC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)C2 ZINC000903148189 1317663024 /nfs/dbraw/zinc/66/30/24/1317663024.db2.gz QJSCQONFXXXKRR-KOQQBVACSA-N 2 1 326.484 3.300 20 0 EGADMP CC(C)(C)OC(=O)NC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCC1 ZINC000903147486 1317663148 /nfs/dbraw/zinc/66/31/48/1317663148.db2.gz JORDNLQBUMAQHF-ZXFUBFMLSA-N 2 1 349.519 3.181 20 0 EGADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000903153660 1317664230 /nfs/dbraw/zinc/66/42/30/1317664230.db2.gz UPJHWRIEOFKITG-BDWVSVIHSA-N 2 1 327.516 3.425 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H](c1ccccc1)N(C)C ZINC000903153660 1317664237 /nfs/dbraw/zinc/66/42/37/1317664237.db2.gz UPJHWRIEOFKITG-BDWVSVIHSA-N 2 1 327.516 3.425 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H](c1ccccc1)N(C)C ZINC000903153660 1317664241 /nfs/dbraw/zinc/66/42/41/1317664241.db2.gz UPJHWRIEOFKITG-BDWVSVIHSA-N 2 1 327.516 3.425 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903164263 1317666290 /nfs/dbraw/zinc/66/62/90/1317666290.db2.gz KHEPDRABZWHWIH-SWSHNKPGSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)cc1 ZINC000903164263 1317666294 /nfs/dbraw/zinc/66/62/94/1317666294.db2.gz KHEPDRABZWHWIH-SWSHNKPGSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)cc1 ZINC000903164263 1317666300 /nfs/dbraw/zinc/66/63/00/1317666300.db2.gz KHEPDRABZWHWIH-SWSHNKPGSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cc1 ZINC000903164263 1317666304 /nfs/dbraw/zinc/66/63/04/1317666304.db2.gz KHEPDRABZWHWIH-SWSHNKPGSA-N 3 1 339.527 3.256 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903164263 1317666308 /nfs/dbraw/zinc/66/63/08/1317666308.db2.gz KHEPDRABZWHWIH-SWSHNKPGSA-N 3 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)cc1 ZINC000903164263 1317666313 /nfs/dbraw/zinc/66/63/13/1317666313.db2.gz KHEPDRABZWHWIH-SWSHNKPGSA-N 3 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)cc1 ZINC000903164263 1317666318 /nfs/dbraw/zinc/66/63/18/1317666318.db2.gz KHEPDRABZWHWIH-SWSHNKPGSA-N 3 1 339.527 3.256 20 0 EGADMP c1ccc(CN2CC[C@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903204158 1317673297 /nfs/dbraw/zinc/67/32/97/1317673297.db2.gz QQJRRMRWQRVASQ-KRIYCRJKSA-N 2 1 325.500 3.008 20 0 EGADMP c1ccc(C[NH+]2CC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903204158 1317673302 /nfs/dbraw/zinc/67/33/02/1317673302.db2.gz QQJRRMRWQRVASQ-KRIYCRJKSA-N 2 1 325.500 3.008 20 0 EGADMP c1ccc(C[NH+]2CC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903204158 1317673309 /nfs/dbraw/zinc/67/33/09/1317673309.db2.gz QQJRRMRWQRVASQ-KRIYCRJKSA-N 2 1 325.500 3.008 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)cc1 ZINC000903204158 1317673314 /nfs/dbraw/zinc/67/33/14/1317673314.db2.gz QQJRRMRWQRVASQ-KRIYCRJKSA-N 2 1 325.500 3.008 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)cc1 ZINC000903204158 1317673320 /nfs/dbraw/zinc/67/33/20/1317673320.db2.gz QQJRRMRWQRVASQ-KRIYCRJKSA-N 2 1 325.500 3.008 20 0 EGADMP C[C@@H](c1ccccc1Cl)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903509216 1317706955 /nfs/dbraw/zinc/70/69/55/1317706955.db2.gz DPUUZZUJAIQNEW-BHYGNILZSA-N 2 1 333.907 3.302 20 0 EGADMP CCOc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903717900 1317724374 /nfs/dbraw/zinc/72/43/74/1317724374.db2.gz FOAQPEAADMZYSC-VQTJNVASSA-N 2 1 344.499 3.381 20 0 EGADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903721895 1317725052 /nfs/dbraw/zinc/72/50/52/1317725052.db2.gz FWYFCSAGGSLFRW-MRXNPFEDSA-N 2 1 342.405 3.296 20 0 EGADMP c1ccc([C@H]2CCC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903725809 1317725932 /nfs/dbraw/zinc/72/59/32/1317725932.db2.gz HVXGVTYVEPUVFW-VQTJNVASSA-N 2 1 328.500 3.415 20 0 EGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@H]1CC3(CO1)CC[NH2+]CC3)CCC2 ZINC000903755408 1317729432 /nfs/dbraw/zinc/72/94/32/1317729432.db2.gz GQNQZDPABFCICX-HOCLYGCPSA-N 2 1 349.544 3.173 20 0 EGADMP C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903757168 1317730471 /nfs/dbraw/zinc/73/04/71/1317730471.db2.gz YVGIQLZNOWJUCZ-AWEZNQCLSA-N 2 1 326.843 3.070 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3ccccc3)C2)C1 ZINC001020500035 1317730522 /nfs/dbraw/zinc/73/05/22/1317730522.db2.gz LTMDEBDBYJMMSJ-VBSBHUPXSA-N 2 1 343.515 3.106 20 0 EGADMP COc1ccc(F)cc1-c1cncc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000903759883 1317730589 /nfs/dbraw/zinc/73/05/89/1317730589.db2.gz STYHHRVJUODWOG-YOEHRIQHSA-N 2 1 343.446 3.313 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)c1ccccc1 ZINC001020511811 1317735116 /nfs/dbraw/zinc/73/51/16/1317735116.db2.gz FIFWKHAEXMVENK-ONSCTEFMSA-N 2 1 343.515 3.105 20 0 EGADMP [NH3+]CC1([C@H]2CCCC[N@@H+]2C[C@@H](O)c2ccc(F)cc2Cl)CCC1 ZINC000903810369 1317737132 /nfs/dbraw/zinc/73/71/32/1317737132.db2.gz BSLBECTWELWCEB-IAGOWNOFSA-N 2 1 340.870 3.496 20 0 EGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2C[C@@H](O)c2ccc(F)cc2Cl)CCC1 ZINC000903810369 1317737133 /nfs/dbraw/zinc/73/71/33/1317737133.db2.gz BSLBECTWELWCEB-IAGOWNOFSA-N 2 1 340.870 3.496 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000903827171 1317739355 /nfs/dbraw/zinc/73/93/55/1317739355.db2.gz PRAPHMMMLGFRNL-RLLQIKCJSA-N 2 1 344.499 3.019 20 0 EGADMP CC[C@@H](C[NH2+]C[C@@H]([NH3+])CC(F)F)Oc1ccccc1C(F)(F)F ZINC000903920012 1317748696 /nfs/dbraw/zinc/74/86/96/1317748696.db2.gz GOBRPSFRYORVES-QWRGUYRKSA-N 2 1 340.336 3.435 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@@H]([NH3+])CC(F)F ZINC000903921112 1317749495 /nfs/dbraw/zinc/74/94/95/1317749495.db2.gz NAUHTVKNFGKBPK-YOEHRIQHSA-N 3 1 325.447 3.133 20 0 EGADMP C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000903970095 1317758927 /nfs/dbraw/zinc/75/89/27/1317758927.db2.gz QDIVOTNEOVLSAT-AQNXPRMDSA-N 2 1 328.500 3.245 20 0 EGADMP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000904372667 1317839122 /nfs/dbraw/zinc/83/91/22/1317839122.db2.gz FYRJDSDXPGCAES-RTBURBONSA-N 2 1 348.531 3.260 20 0 EGADMP CSc1cc(Br)ccc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904405600 1317842996 /nfs/dbraw/zinc/84/29/96/1317842996.db2.gz KJQZMAQWCCTMDP-NSHDSACASA-N 2 1 329.307 3.342 20 0 EGADMP Cc1c(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)sc2nc(C)nc(C)c12 ZINC000809765076 1317893648 /nfs/dbraw/zinc/89/36/48/1317893648.db2.gz KUASNCDWQHLVCQ-IAQYHMDHSA-N 2 1 332.517 3.389 20 0 EGADMP Cc1c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)sc2nc(C)nc(C)c12 ZINC000809765076 1317893656 /nfs/dbraw/zinc/89/36/56/1317893656.db2.gz KUASNCDWQHLVCQ-IAQYHMDHSA-N 2 1 332.517 3.389 20 0 EGADMP Cc1c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)sc2nc(C)nc(C)c12 ZINC000809765076 1317893662 /nfs/dbraw/zinc/89/36/62/1317893662.db2.gz KUASNCDWQHLVCQ-IAQYHMDHSA-N 2 1 332.517 3.389 20 0 EGADMP Cc1c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)sc2nc(C)nc(C)c12 ZINC000809765076 1317893670 /nfs/dbraw/zinc/89/36/70/1317893670.db2.gz KUASNCDWQHLVCQ-IAQYHMDHSA-N 2 1 332.517 3.389 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001020910432 1317994740 /nfs/dbraw/zinc/99/47/40/1317994740.db2.gz WXQDSKNRESLVFM-BZSNNMDCSA-N 2 1 349.544 3.140 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCC2)C1 ZINC001021358057 1318209321 /nfs/dbraw/zinc/20/93/21/1318209321.db2.gz XUYQFFBAYYMOMH-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCC2)C1 ZINC001021358057 1318209325 /nfs/dbraw/zinc/20/93/25/1318209325.db2.gz XUYQFFBAYYMOMH-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCC2)C1 ZINC001021358057 1318209330 /nfs/dbraw/zinc/20/93/30/1318209330.db2.gz XUYQFFBAYYMOMH-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)CC[N@H+]1C ZINC001021360218 1318210214 /nfs/dbraw/zinc/21/02/14/1318210214.db2.gz KAJZNFFRQVCKLB-WJXKREEZSA-N 2 1 349.563 3.265 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001021360218 1318210222 /nfs/dbraw/zinc/21/02/22/1318210222.db2.gz KAJZNFFRQVCKLB-WJXKREEZSA-N 2 1 349.563 3.265 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001021360218 1318210229 /nfs/dbraw/zinc/21/02/29/1318210229.db2.gz KAJZNFFRQVCKLB-WJXKREEZSA-N 2 1 349.563 3.265 20 0 EGADMP CCCCCC[N@H+](C)CC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000811623247 1318213954 /nfs/dbraw/zinc/21/39/54/1318213954.db2.gz XOUMTOQKKTYMIU-UHFFFAOYSA-N 2 1 346.519 3.119 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000811623247 1318213960 /nfs/dbraw/zinc/21/39/60/1318213960.db2.gz XOUMTOQKKTYMIU-UHFFFAOYSA-N 2 1 346.519 3.119 20 0 EGADMP C[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CCCC2)CC1 ZINC001021368090 1318214591 /nfs/dbraw/zinc/21/45/91/1318214591.db2.gz GBPTUMSCYZJKKP-IHWFROFDSA-N 2 1 347.547 3.020 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCCC2CCC2)C1 ZINC001021438256 1318250452 /nfs/dbraw/zinc/25/04/52/1318250452.db2.gz RHJVNOBTDNWUES-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC2CCC2)C1 ZINC001021438256 1318250461 /nfs/dbraw/zinc/25/04/61/1318250461.db2.gz RHJVNOBTDNWUES-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC2CCC2)C1 ZINC001021438256 1318250472 /nfs/dbraw/zinc/25/04/72/1318250472.db2.gz RHJVNOBTDNWUES-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H](C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21)C[NH+](C)C ZINC000813878377 1318649074 /nfs/dbraw/zinc/64/90/74/1318649074.db2.gz NUMLFEZZRXZQGD-OLMNPRSZSA-N 2 1 347.503 3.485 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001021906254 1318727755 /nfs/dbraw/zinc/72/77/55/1318727755.db2.gz JIPDDNVXYCAXOF-XWTMOSNGSA-N 2 1 349.906 3.122 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC000960639415 1318759615 /nfs/dbraw/zinc/75/96/15/1318759615.db2.gz BOSIFTCGDLTOSG-FUHWJXTLSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC000960639415 1318759621 /nfs/dbraw/zinc/75/96/21/1318759621.db2.gz BOSIFTCGDLTOSG-FUHWJXTLSA-N 2 1 346.519 3.120 20 0 EGADMP C[N@H+](Cc1ccsc1)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC000960679788 1318789004 /nfs/dbraw/zinc/78/90/04/1318789004.db2.gz FZBORUMNNDIWQF-QZTJIDSGSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC000960679788 1318789009 /nfs/dbraw/zinc/78/90/09/1318789009.db2.gz FZBORUMNNDIWQF-QZTJIDSGSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC000960679788 1318789016 /nfs/dbraw/zinc/78/90/16/1318789016.db2.gz FZBORUMNNDIWQF-QZTJIDSGSA-N 2 1 349.544 3.045 20 0 EGADMP C[N@@H+](CC1CCC1)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000960685802 1318791930 /nfs/dbraw/zinc/79/19/30/1318791930.db2.gz WFYXYYQEHNJJQQ-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CCC1)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000960685802 1318791936 /nfs/dbraw/zinc/79/19/36/1318791936.db2.gz WFYXYYQEHNJJQQ-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CCC1)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000960685802 1318791937 /nfs/dbraw/zinc/79/19/37/1318791937.db2.gz WFYXYYQEHNJJQQ-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001022166444 1318825877 /nfs/dbraw/zinc/82/58/77/1318825877.db2.gz VYJMSYVKZPBKSI-XSYGEPLQSA-N 2 1 343.515 3.167 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC000960731466 1318833586 /nfs/dbraw/zinc/83/35/86/1318833586.db2.gz UXETVNZOQMMIIZ-IBGZPJMESA-N 2 1 345.531 3.038 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)c1ccccc1 ZINC001022601157 1319009725 /nfs/dbraw/zinc/00/97/25/1319009725.db2.gz FIFWKHAEXMVENK-AEEMCCEDSA-N 2 1 343.515 3.105 20 0 EGADMP C[C@@H](CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1)n1ccnc1 ZINC000960905025 1319046016 /nfs/dbraw/zinc/04/60/16/1319046016.db2.gz UUJNNUMVEAMIHE-FUHWJXTLSA-N 2 1 346.519 3.193 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)c1cccc(Cl)c1 ZINC001022711886 1319078652 /nfs/dbraw/zinc/07/86/52/1319078652.db2.gz FOXZIQOEFMWLOQ-NONVJHHQSA-N 2 1 349.906 3.122 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001022807260 1319119019 /nfs/dbraw/zinc/11/90/19/1319119019.db2.gz GKTGHPHPDFVWIM-FFGOWVMKSA-N 2 1 343.515 3.247 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001022807263 1319119120 /nfs/dbraw/zinc/11/91/20/1319119120.db2.gz GKTGHPHPDFVWIM-RSPOEFSDSA-N 2 1 343.515 3.247 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022807735 1319119257 /nfs/dbraw/zinc/11/92/57/1319119257.db2.gz MNANXXGIIBPDGN-HSALFYBXSA-N 2 1 349.563 3.457 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001022838468 1319132696 /nfs/dbraw/zinc/13/26/96/1319132696.db2.gz PEWJCOVMZPRDHW-WCIQWLHISA-N 2 1 345.531 3.131 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1)[NH+]1CCCCC1 ZINC000961029985 1319154246 /nfs/dbraw/zinc/15/42/46/1319154246.db2.gz ANNAWPDKJUDLLD-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1)[NH+]1CCCCC1 ZINC000961029978 1319154277 /nfs/dbraw/zinc/15/42/77/1319154277.db2.gz ANNAWPDKJUDLLD-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001023084497 1319255951 /nfs/dbraw/zinc/25/59/51/1319255951.db2.gz QQBPTJGRGVVWAS-MVJPYGJCSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001023130920 1319275989 /nfs/dbraw/zinc/27/59/89/1319275989.db2.gz MWUKZBUASYZWBS-ZCNNSNEGSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C[C@@H]1C[NH3+] ZINC000817879638 1319449711 /nfs/dbraw/zinc/44/97/11/1319449711.db2.gz DNEHILRJOLKCDL-GLJUWKHASA-N 2 1 340.467 3.087 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023365279 1319476085 /nfs/dbraw/zinc/47/60/85/1319476085.db2.gz BHNKVFGLZGMWJU-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001023365279 1319476089 /nfs/dbraw/zinc/47/60/89/1319476089.db2.gz BHNKVFGLZGMWJU-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001023365279 1319476093 /nfs/dbraw/zinc/47/60/93/1319476093.db2.gz BHNKVFGLZGMWJU-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023364622 1319477155 /nfs/dbraw/zinc/47/71/55/1319477155.db2.gz NBGHBSUIAXODLV-PKOBYXMFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001023364622 1319477162 /nfs/dbraw/zinc/47/71/62/1319477162.db2.gz NBGHBSUIAXODLV-PKOBYXMFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001023364622 1319477167 /nfs/dbraw/zinc/47/71/67/1319477167.db2.gz NBGHBSUIAXODLV-PKOBYXMFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414262 1319517816 /nfs/dbraw/zinc/51/78/16/1319517816.db2.gz PAIGJXDMBZHGGO-QUCCMNQESA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414262 1319517822 /nfs/dbraw/zinc/51/78/22/1319517822.db2.gz PAIGJXDMBZHGGO-QUCCMNQESA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414262 1319517829 /nfs/dbraw/zinc/51/78/29/1319517829.db2.gz PAIGJXDMBZHGGO-QUCCMNQESA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961373585 1319529680 /nfs/dbraw/zinc/52/96/80/1319529680.db2.gz HZGSPLLBTNCEQL-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961373585 1319529687 /nfs/dbraw/zinc/52/96/87/1319529687.db2.gz HZGSPLLBTNCEQL-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000961373585 1319529696 /nfs/dbraw/zinc/52/96/96/1319529696.db2.gz HZGSPLLBTNCEQL-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cc(=O)oc2c1C ZINC000818341214 1319530376 /nfs/dbraw/zinc/53/03/76/1319530376.db2.gz WYQMTGLLOIZLFK-HNNXBMFYSA-N 2 1 340.467 3.374 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001023446567 1319545966 /nfs/dbraw/zinc/54/59/66/1319545966.db2.gz RXPOOUATZUBHKU-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001023446567 1319545969 /nfs/dbraw/zinc/54/59/69/1319545969.db2.gz RXPOOUATZUBHKU-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001023446567 1319545975 /nfs/dbraw/zinc/54/59/75/1319545975.db2.gz RXPOOUATZUBHKU-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961410820 1319567546 /nfs/dbraw/zinc/56/75/46/1319567546.db2.gz JKQAAMZLNIDDTG-AZUAARDMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961410820 1319567550 /nfs/dbraw/zinc/56/75/50/1319567550.db2.gz JKQAAMZLNIDDTG-AZUAARDMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961410820 1319567554 /nfs/dbraw/zinc/56/75/54/1319567554.db2.gz JKQAAMZLNIDDTG-AZUAARDMSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)c2c(F)cccc2F)C1 ZINC000818961226 1319592037 /nfs/dbraw/zinc/59/20/37/1319592037.db2.gz OJPBNZFJZPRZLD-RVKKMQEKSA-N 2 1 340.458 3.346 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000818962582 1319593443 /nfs/dbraw/zinc/59/34/43/1319593443.db2.gz TVQSXLPGVJRKDE-HXUWFJFHSA-N 2 1 330.447 3.489 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000819348020 1319705802 /nfs/dbraw/zinc/70/58/02/1319705802.db2.gz FKSDPECAGITDTC-JKSUJKDBSA-N 2 1 345.314 3.043 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000819348020 1319705820 /nfs/dbraw/zinc/70/58/20/1319705820.db2.gz FKSDPECAGITDTC-JKSUJKDBSA-N 2 1 345.314 3.043 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC000961993597 1319795328 /nfs/dbraw/zinc/79/53/28/1319795328.db2.gz QELWBTJVUVUXQS-CTWPCTMYSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763643 1319910292 /nfs/dbraw/zinc/91/02/92/1319910292.db2.gz VQWIWDKZTBYVKY-GOSISDBHSA-N 2 1 343.515 3.156 20 0 EGADMP CN(C)c1ncc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c2ccccc21 ZINC000930461739 1328863164 /nfs/dbraw/zinc/86/31/64/1328863164.db2.gz ZVTNGVAHBPJJIS-JWTNVVGKSA-N 2 1 338.499 3.358 20 0 EGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000823437635 1320179708 /nfs/dbraw/zinc/17/97/08/1320179708.db2.gz PBVKSJZHNOYMGP-KRWDZBQOSA-N 2 1 341.540 3.057 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000823596508 1320190068 /nfs/dbraw/zinc/19/00/68/1320190068.db2.gz OSNAUGMJBPMOBD-UHFFFAOYSA-N 2 1 343.471 3.049 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000930574876 1328901842 /nfs/dbraw/zinc/90/18/42/1328901842.db2.gz QHJXEHFKFPSJEG-LJQANCHMSA-N 2 1 329.488 3.136 20 0 EGADMP Clc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000840722056 1321135271 /nfs/dbraw/zinc/13/52/71/1321135271.db2.gz FFEQDPCMWWUVST-ZWKOTPCHSA-N 2 1 348.918 3.430 20 0 EGADMP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OC(=O)CC ZINC000840945366 1321183143 /nfs/dbraw/zinc/18/31/43/1321183143.db2.gz LLUSJUNLECTNFC-NVXWUHKLSA-N 2 1 348.487 3.173 20 0 EGADMP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OC(=O)CC ZINC000840945366 1321183147 /nfs/dbraw/zinc/18/31/47/1321183147.db2.gz LLUSJUNLECTNFC-NVXWUHKLSA-N 2 1 348.487 3.173 20 0 EGADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1OC(=O)CC ZINC000840945366 1321183150 /nfs/dbraw/zinc/18/31/50/1321183150.db2.gz LLUSJUNLECTNFC-NVXWUHKLSA-N 2 1 348.487 3.173 20 0 EGADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC(=O)CC ZINC000840945366 1321183155 /nfs/dbraw/zinc/18/31/55/1321183155.db2.gz LLUSJUNLECTNFC-NVXWUHKLSA-N 2 1 348.487 3.173 20 0 EGADMP Cc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)cc(C)c1OCc1ccccn1 ZINC000841030935 1321204454 /nfs/dbraw/zinc/20/44/54/1321204454.db2.gz PRTHPVZGFMNECK-IBGZPJMESA-N 2 1 327.472 3.350 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+][C@@H](C)CC[NH3+] ZINC000841051561 1321209733 /nfs/dbraw/zinc/20/97/33/1321209733.db2.gz QFVJVSWJQMMSHV-NSHDSACASA-N 2 1 341.286 3.374 20 0 EGADMP C[C@@H](C(=O)NCC1CCCCC1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212854 1328947333 /nfs/dbraw/zinc/94/73/33/1328947333.db2.gz CKKUCBWHXQFZKH-KRWDZBQOSA-N 2 1 345.531 3.265 20 0 EGADMP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212854 1328947336 /nfs/dbraw/zinc/94/73/36/1328947336.db2.gz CKKUCBWHXQFZKH-KRWDZBQOSA-N 2 1 345.531 3.265 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCC(=O)Nc2ccccc2)cc1 ZINC000859215181 1328948034 /nfs/dbraw/zinc/94/80/34/1328948034.db2.gz XMBYIXITQASKSX-UHFFFAOYSA-N 2 1 325.456 3.209 20 0 EGADMP CCc1ccc2c(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc(=O)oc2c1 ZINC000842474692 1321393312 /nfs/dbraw/zinc/39/33/12/1321393312.db2.gz WUDSIEGLSACBAB-QFBILLFUSA-N 2 1 340.467 3.319 20 0 EGADMP CCc1cc2oc(=O)cc(C[NH2+][C@H]3CC[NH2+]CC3(C)C)c2cc1Cl ZINC000842475547 1321393781 /nfs/dbraw/zinc/39/37/81/1321393781.db2.gz SREYMXJPNWAMJU-KRWDZBQOSA-N 2 1 348.874 3.487 20 0 EGADMP COc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)ccc1OCC(F)(F)F ZINC000843055102 1321462994 /nfs/dbraw/zinc/46/29/94/1321462994.db2.gz RABAZKRTZXWTHN-UHFFFAOYSA-N 2 1 346.393 3.338 20 0 EGADMP C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C1CCC([NH3+])CC1 ZINC000843054791 1321463015 /nfs/dbraw/zinc/46/30/15/1321463015.db2.gz IAZBYPURAHCNSD-UHFFFAOYSA-N 2 1 325.456 3.362 20 0 EGADMP O[C@H](C[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000843064512 1321464715 /nfs/dbraw/zinc/46/47/15/1321464715.db2.gz GZHHYVMMUVXINQ-PKOBYXMFSA-N 2 1 330.497 3.283 20 0 EGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843112652 1321472735 /nfs/dbraw/zinc/47/27/35/1321472735.db2.gz KUDVLGJELBMJPJ-OAHLLOKOSA-N 2 1 332.879 3.395 20 0 EGADMP CCOc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])ccc1OC(=O)CC ZINC000843123484 1321473351 /nfs/dbraw/zinc/47/33/51/1321473351.db2.gz KLOGVFQFHMBYKW-INIZCTEOSA-N 2 1 334.460 3.104 20 0 EGADMP C[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C1CCC([NH3+])CC1 ZINC000843355481 1321504849 /nfs/dbraw/zinc/50/48/49/1321504849.db2.gz RJTRMNYOXXEFGD-UHFFFAOYSA-N 2 1 329.488 3.014 20 0 EGADMP CCC[N@@H+](Cc1cc(=O)oc2cc(CC)ccc12)C1CC[NH2+]CC1 ZINC000843360926 1321505935 /nfs/dbraw/zinc/50/59/35/1321505935.db2.gz YFAZVMJSYANDFD-UHFFFAOYSA-N 2 1 328.456 3.319 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000844195275 1321577519 /nfs/dbraw/zinc/57/75/19/1321577519.db2.gz SVOBQNMRVZJICJ-SFHVURJKSA-N 2 1 349.906 3.079 20 0 EGADMP c1ccc(COC2CC([N@H+]3CCCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000930806841 1328976287 /nfs/dbraw/zinc/97/62/87/1328976287.db2.gz ZACNACFOCDKESQ-UHFFFAOYSA-N 2 1 337.467 3.342 20 0 EGADMP CC[C@H](C)[N@@H+](CCCCCC[NH3+])Cc1nc2ccccc2c(=O)[nH]1 ZINC000846218422 1321777763 /nfs/dbraw/zinc/77/77/63/1321777763.db2.gz UQMAFPDJSVJDNP-HNNXBMFYSA-N 2 1 330.476 3.455 20 0 EGADMP [NH3+]CCCCCC[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000846220092 1321777822 /nfs/dbraw/zinc/77/78/22/1321777822.db2.gz BFSSTGQDCZXARH-UHFFFAOYSA-N 2 1 329.257 3.465 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000846220092 1321777825 /nfs/dbraw/zinc/77/78/25/1321777825.db2.gz BFSSTGQDCZXARH-UHFFFAOYSA-N 2 1 329.257 3.465 20 0 EGADMP CCc1ccc2c(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])cc(=O)oc2c1 ZINC000846226429 1321778040 /nfs/dbraw/zinc/77/80/40/1321778040.db2.gz NASNLVGFJKBLMH-KBXCAEBGSA-N 2 1 328.456 3.305 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)c3ccc(C)cc3)CC2)CC1 ZINC000847420701 1321870181 /nfs/dbraw/zinc/87/01/81/1321870181.db2.gz DQVYLZXWKIVZJO-UHFFFAOYSA-N 2 1 343.515 3.154 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000849064517 1322063983 /nfs/dbraw/zinc/06/39/83/1322063983.db2.gz IKOYIJIDRFSTJN-CALCHBBNSA-N 2 1 330.520 3.100 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1csc2ccccc12 ZINC000849071895 1322066606 /nfs/dbraw/zinc/06/66/06/1322066606.db2.gz OJVUWAXPFBOSNW-OAHLLOKOSA-N 2 1 330.501 3.042 20 0 EGADMP C[C@]1(CNC(=[NH2+])N2CCCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000849076349 1322067901 /nfs/dbraw/zinc/06/79/01/1322067901.db2.gz YSSIWGHDOPVEHF-HXUWFJFHSA-N 2 1 328.504 3.299 20 0 EGADMP C[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@H+](C)Cc1ccccc1 ZINC000849080992 1322070136 /nfs/dbraw/zinc/07/01/36/1322070136.db2.gz BEFIVUREWBIUHY-ZDUSSCGKSA-N 2 1 332.398 3.422 20 0 EGADMP C[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@@H+](C)Cc1ccccc1 ZINC000849080992 1322070144 /nfs/dbraw/zinc/07/01/44/1322070144.db2.gz BEFIVUREWBIUHY-ZDUSSCGKSA-N 2 1 332.398 3.422 20 0 EGADMP C[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@@H+]1CCc2ccccc2C1 ZINC000849081222 1322070344 /nfs/dbraw/zinc/07/03/44/1322070344.db2.gz NIIINNGECCDNOS-CYBMUJFWSA-N 2 1 344.409 3.348 20 0 EGADMP C[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@H+]1CCc2ccccc2C1 ZINC000849081222 1322070350 /nfs/dbraw/zinc/07/03/50/1322070350.db2.gz NIIINNGECCDNOS-CYBMUJFWSA-N 2 1 344.409 3.348 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000849110813 1322082124 /nfs/dbraw/zinc/08/21/24/1322082124.db2.gz BIFHWYSLXPACFU-HNNXBMFYSA-N 2 1 342.409 3.318 20 0 EGADMP COc1cncc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000850101369 1322192425 /nfs/dbraw/zinc/19/24/25/1322192425.db2.gz JOPSDPOCQZWNFO-OAHLLOKOSA-N 2 1 331.485 3.154 20 0 EGADMP COc1cncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000850101369 1322192428 /nfs/dbraw/zinc/19/24/28/1322192428.db2.gz JOPSDPOCQZWNFO-OAHLLOKOSA-N 2 1 331.485 3.154 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850464351 1322252917 /nfs/dbraw/zinc/25/29/17/1322252917.db2.gz GHHWKRLAWYLFNA-DLBZAZTESA-N 2 1 332.488 3.163 20 0 EGADMP COCC[NH+]1CCC([NH2+]Cc2cccc(Oc3ccccn3)c2)CC1 ZINC000921595787 1322361066 /nfs/dbraw/zinc/36/10/66/1322361066.db2.gz PRIIRWXSLCLQLA-UHFFFAOYSA-N 2 1 341.455 3.074 20 0 EGADMP C[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921980595 1322434473 /nfs/dbraw/zinc/43/44/73/1322434473.db2.gz NOLAXSNPUOIFNU-LPHOPBHVSA-N 2 1 330.520 3.426 20 0 EGADMP C[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000921980595 1322434477 /nfs/dbraw/zinc/43/44/77/1322434477.db2.gz NOLAXSNPUOIFNU-LPHOPBHVSA-N 2 1 330.520 3.426 20 0 EGADMP CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000922170640 1322470698 /nfs/dbraw/zinc/47/06/98/1322470698.db2.gz TWDRBIFOBRQAIX-HZPDHXFCSA-N 2 1 339.524 3.144 20 0 EGADMP CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000922170640 1322470702 /nfs/dbraw/zinc/47/07/02/1322470702.db2.gz TWDRBIFOBRQAIX-HZPDHXFCSA-N 2 1 339.524 3.144 20 0 EGADMP O[C@H](Cc1ccc2ccccc2c1)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000923363161 1322740780 /nfs/dbraw/zinc/74/07/80/1322740780.db2.gz VQURJSJLCMUALB-FDFHNCONSA-N 2 1 338.495 3.065 20 0 EGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923368569 1322741084 /nfs/dbraw/zinc/74/10/84/1322741084.db2.gz RMTIDDOPCIZNET-YWZLYKJASA-N 2 1 339.483 3.118 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001023892190 1323008320 /nfs/dbraw/zinc/00/83/20/1323008320.db2.gz XXKXUCLMSGAZQC-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001023984727 1323065362 /nfs/dbraw/zinc/06/53/62/1323065362.db2.gz JKBNEPSMAWYFMQ-HKUYNNGSSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024009981 1323078261 /nfs/dbraw/zinc/07/82/61/1323078261.db2.gz COPRXGFVPOTJBL-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CCC(C[NH2+]C[C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001024018082 1323080780 /nfs/dbraw/zinc/08/07/80/1323080780.db2.gz KEEHVMKAXMTBCI-CTWPCTMYSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](C[NH2+][C@@H](C)c1cccc(Br)n1)C[NH+]1CCCC1 ZINC000924713070 1323127942 /nfs/dbraw/zinc/12/79/42/1323127942.db2.gz CJIAVRKRBRGLRH-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)C1 ZINC000924684665 1323112747 /nfs/dbraw/zinc/11/27/47/1323112747.db2.gz MDPWFXKSQDCNIU-YHELAOLJSA-N 2 1 346.563 3.479 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)CC1 ZINC000852008197 1323131151 /nfs/dbraw/zinc/13/11/51/1323131151.db2.gz URZUVJAWFMFOBA-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001024157320 1323179814 /nfs/dbraw/zinc/17/98/14/1323179814.db2.gz ZBNHLBZCHVVUIN-UYAOXDASSA-N 2 1 349.563 3.127 20 0 EGADMP COc1ccnc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000924938372 1323221284 /nfs/dbraw/zinc/22/12/84/1323221284.db2.gz LEXQSCQOHCKHLE-IEBWSBKVSA-N 2 1 339.483 3.305 20 0 EGADMP COc1ccnc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000924938372 1323221289 /nfs/dbraw/zinc/22/12/89/1323221289.db2.gz LEXQSCQOHCKHLE-IEBWSBKVSA-N 2 1 339.483 3.305 20 0 EGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1 ZINC000925051686 1323257410 /nfs/dbraw/zinc/25/74/10/1323257410.db2.gz LIGRSUQUXMVRSO-OFLPRAFFSA-N 2 1 339.524 3.144 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1 ZINC000925051686 1323257414 /nfs/dbraw/zinc/25/74/14/1323257414.db2.gz LIGRSUQUXMVRSO-OFLPRAFFSA-N 2 1 339.524 3.144 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc3c2OCO3)[C@@H](C)C1 ZINC000925077387 1323269238 /nfs/dbraw/zinc/26/92/38/1323269238.db2.gz GZBDCHFXBVRKRI-BQFCYCMXSA-N 2 1 348.487 3.203 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc3c2OCO3)[C@@H](C)C1 ZINC000925077387 1323269246 /nfs/dbraw/zinc/26/92/46/1323269246.db2.gz GZBDCHFXBVRKRI-BQFCYCMXSA-N 2 1 348.487 3.203 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853100189 1323281489 /nfs/dbraw/zinc/28/14/89/1323281489.db2.gz ZJKKELLLFRLUKF-DYESRHJHSA-N 2 1 339.483 3.279 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024436643 1323395026 /nfs/dbraw/zinc/39/50/26/1323395026.db2.gz GIILTAKNXAGHQU-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC001024436643 1323395028 /nfs/dbraw/zinc/39/50/28/1323395028.db2.gz GIILTAKNXAGHQU-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCC1CCC1 ZINC001024436643 1323395034 /nfs/dbraw/zinc/39/50/34/1323395034.db2.gz GIILTAKNXAGHQU-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024439534 1323402166 /nfs/dbraw/zinc/40/21/66/1323402166.db2.gz BIWFJZSYWFADCA-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024439534 1323402170 /nfs/dbraw/zinc/40/21/70/1323402170.db2.gz BIWFJZSYWFADCA-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024439534 1323402175 /nfs/dbraw/zinc/40/21/75/1323402175.db2.gz BIWFJZSYWFADCA-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024618862 1323547607 /nfs/dbraw/zinc/54/76/07/1323547607.db2.gz ZDXMJMDQWUFUPJ-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024618862 1323547609 /nfs/dbraw/zinc/54/76/09/1323547609.db2.gz ZDXMJMDQWUFUPJ-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001024618862 1323547612 /nfs/dbraw/zinc/54/76/12/1323547612.db2.gz ZDXMJMDQWUFUPJ-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](F)CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811556 1323713544 /nfs/dbraw/zinc/71/35/44/1323713544.db2.gz UWSAADVITNDOAM-LPHOPBHVSA-N 2 1 349.494 3.081 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001024979673 1323810934 /nfs/dbraw/zinc/81/09/34/1323810934.db2.gz VOMDTLYXKWTTQY-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001024979153 1323810984 /nfs/dbraw/zinc/81/09/84/1323810984.db2.gz MOXWZCLMCKXQEH-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001025056634 1323861029 /nfs/dbraw/zinc/86/10/29/1323861029.db2.gz QFINVLWBQWJFDT-RBUKOAKNSA-N 2 1 335.536 3.163 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(Cc3cncc(OCc4ccccc4)c3)C[C@@H]2C1 ZINC000931435433 1329116961 /nfs/dbraw/zinc/11/69/61/1329116961.db2.gz AZCWYECYKSSGMJ-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cncc(OCc4ccccc4)c3)C[C@@H]2C1 ZINC000931435433 1329116965 /nfs/dbraw/zinc/11/69/65/1329116965.db2.gz AZCWYECYKSSGMJ-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cncc(OCc4ccccc4)c3)C[C@@H]2C1 ZINC000931435433 1329116967 /nfs/dbraw/zinc/11/69/67/1329116967.db2.gz AZCWYECYKSSGMJ-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cncc(OCc4ccccc4)c3)C[C@@H]2C1 ZINC000931435433 1329116969 /nfs/dbraw/zinc/11/69/69/1329116969.db2.gz AZCWYECYKSSGMJ-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cncc(OCc4ccccc4)c3)C[C@@H]2C1 ZINC000931435433 1329116974 /nfs/dbraw/zinc/11/69/74/1329116974.db2.gz AZCWYECYKSSGMJ-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435004 1329116990 /nfs/dbraw/zinc/11/69/90/1329116990.db2.gz DLMRBQZOLDXCPL-AEGPPILISA-N 2 1 346.862 3.335 20 0 EGADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435004 1329116992 /nfs/dbraw/zinc/11/69/92/1329116992.db2.gz DLMRBQZOLDXCPL-AEGPPILISA-N 2 1 346.862 3.335 20 0 EGADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435004 1329116995 /nfs/dbraw/zinc/11/69/95/1329116995.db2.gz DLMRBQZOLDXCPL-AEGPPILISA-N 2 1 346.862 3.335 20 0 EGADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435004 1329116998 /nfs/dbraw/zinc/11/69/98/1329116998.db2.gz DLMRBQZOLDXCPL-AEGPPILISA-N 2 1 346.862 3.335 20 0 EGADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435004 1329117000 /nfs/dbraw/zinc/11/70/00/1329117000.db2.gz DLMRBQZOLDXCPL-AEGPPILISA-N 2 1 346.862 3.335 20 0 EGADMP CCOc1ccc(-c2nc(CN3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)co2)cc1 ZINC000931440209 1329118472 /nfs/dbraw/zinc/11/84/72/1329118472.db2.gz RGWVEKICFGEUAW-DLBZAZTESA-N 2 1 341.455 3.124 20 0 EGADMP CCOc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)co2)cc1 ZINC000931440209 1329118473 /nfs/dbraw/zinc/11/84/73/1329118473.db2.gz RGWVEKICFGEUAW-DLBZAZTESA-N 2 1 341.455 3.124 20 0 EGADMP CCOc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)co2)cc1 ZINC000931440209 1329118474 /nfs/dbraw/zinc/11/84/74/1329118474.db2.gz RGWVEKICFGEUAW-DLBZAZTESA-N 2 1 341.455 3.124 20 0 EGADMP CCOc1ccc(-c2nc(C[NH+]3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)co2)cc1 ZINC000931440209 1329118480 /nfs/dbraw/zinc/11/84/80/1329118480.db2.gz RGWVEKICFGEUAW-DLBZAZTESA-N 2 1 341.455 3.124 20 0 EGADMP CCOc1ccc(-c2nc(C[NH+]3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)co2)cc1 ZINC000931440209 1329118481 /nfs/dbraw/zinc/11/84/81/1329118481.db2.gz RGWVEKICFGEUAW-DLBZAZTESA-N 2 1 341.455 3.124 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCCC2)C1 ZINC001025085902 1323886489 /nfs/dbraw/zinc/88/64/89/1323886489.db2.gz XEVPIQVJEHGDSL-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001025168593 1323937979 /nfs/dbraw/zinc/93/79/79/1323937979.db2.gz NXKAXPLZMJECEJ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025250727 1324052635 /nfs/dbraw/zinc/05/26/35/1324052635.db2.gz DOCKTEXFQHQMIE-OALUTQOASA-N 2 1 340.471 3.203 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1[C@H]1CCC[N@H+]1CC1CCCC1 ZINC001025295675 1324126577 /nfs/dbraw/zinc/12/65/77/1324126577.db2.gz QAJGRPSYOYHGGN-WOJBJXKFSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025585282 1324427827 /nfs/dbraw/zinc/42/78/27/1324427827.db2.gz NXHHATIDWYAAAE-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025629658 1324480740 /nfs/dbraw/zinc/48/07/40/1324480740.db2.gz IOCSIYCLWJRCGL-MSOLQXFVSA-N 2 1 345.531 3.235 20 0 EGADMP COc1cccc([C@H](O)C2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000860144351 1329157802 /nfs/dbraw/zinc/15/78/02/1329157802.db2.gz XACHRQJYYONJMZ-TZIWHRDSSA-N 2 1 346.515 3.315 20 0 EGADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC(=O)Nc1cccc2ccccc21 ZINC000931723250 1329171619 /nfs/dbraw/zinc/17/16/19/1329171619.db2.gz QEBJPLRRBDOCIU-ZWKOTPCHSA-N 2 1 337.467 3.337 20 0 EGADMP CC(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001026494412 1324847874 /nfs/dbraw/zinc/84/78/74/1324847874.db2.gz NSWXKNOEHYNGNB-LMDPOFIKSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC2CCC([NH2+]CCC3CCCC3)CC2)CC[N@H+]1C ZINC001026549577 1324886511 /nfs/dbraw/zinc/88/65/11/1324886511.db2.gz XITVIPFOEUMVBQ-YUKKFIBKSA-N 2 1 349.563 3.314 20 0 EGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC2(C1)CCCC2 ZINC000925119153 1325052520 /nfs/dbraw/zinc/05/25/20/1325052520.db2.gz DBRSQCILRSVWBD-UYAOXDASSA-N 2 1 328.500 3.182 20 0 EGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC2(C1)CCCC2 ZINC000925119153 1325052527 /nfs/dbraw/zinc/05/25/27/1325052527.db2.gz DBRSQCILRSVWBD-UYAOXDASSA-N 2 1 328.500 3.182 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001026887839 1325062353 /nfs/dbraw/zinc/06/23/53/1325062353.db2.gz WIOSFQOUATVZKT-HKUYNNGSSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1noc(C)c1[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000925224935 1325086413 /nfs/dbraw/zinc/08/64/13/1325086413.db2.gz PAMKFBWNBKTMSL-GFCCVEGCSA-N 2 1 329.448 3.018 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315765 1325099448 /nfs/dbraw/zinc/09/94/48/1325099448.db2.gz YGFYWPITURMRIO-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)Oc1cccc(C)c1 ZINC000925499196 1325179365 /nfs/dbraw/zinc/17/93/65/1325179365.db2.gz MVJRAHYUONATSI-RAFMOHDBSA-N 2 1 346.515 3.384 20 0 EGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000925534453 1325196877 /nfs/dbraw/zinc/19/68/77/1325196877.db2.gz MQGQYLGYRPKFAI-JHXCCQHYSA-N 3 1 333.545 3.066 20 0 EGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000925534453 1325196879 /nfs/dbraw/zinc/19/68/79/1325196879.db2.gz MQGQYLGYRPKFAI-JHXCCQHYSA-N 3 1 333.545 3.066 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001027062931 1325199978 /nfs/dbraw/zinc/19/99/78/1325199978.db2.gz FGWQUWAEHNGLQB-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)C12CCC2 ZINC000925546029 1325201404 /nfs/dbraw/zinc/20/14/04/1325201404.db2.gz IJVWYNBCKLMYSQ-SJORKVTESA-N 2 1 327.403 3.373 20 0 EGADMP O=C(C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)Nc1ccc(Cl)cc1 ZINC000925571669 1325215770 /nfs/dbraw/zinc/21/57/70/1325215770.db2.gz FRSVUQSAQNRVBK-IRXDYDNUSA-N 2 1 335.879 3.036 20 0 EGADMP c1sc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)nc1C1CCCCC1 ZINC000925573971 1325216828 /nfs/dbraw/zinc/21/68/28/1325216828.db2.gz XQFWFZCNOPINPI-LTFPAQTLSA-N 2 1 331.529 3.319 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C1CCC([NH2+]CC2CC2)CC1 ZINC000963434054 1325242904 /nfs/dbraw/zinc/24/29/04/1325242904.db2.gz UCNIALPBAMYAIX-ACBHZAAOSA-N 2 1 335.536 3.019 20 0 EGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)C12CCC2 ZINC000925710513 1325267183 /nfs/dbraw/zinc/26/71/83/1325267183.db2.gz LPLGRAMXIPTODC-IRXDYDNUSA-N 2 1 327.403 3.373 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1[C@@H]3[NH2+]C[C@H]4C[C@H]1C[C@H]34)CCCC2 ZINC000925770258 1325292655 /nfs/dbraw/zinc/29/26/55/1325292655.db2.gz UNXVMIXVZZCCOZ-VQTQVTBOSA-N 2 1 342.483 3.057 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CCC([NH2+]Cc2ccccc2)CC1 ZINC000963908408 1325431704 /nfs/dbraw/zinc/43/17/04/1325431704.db2.gz SLHUPLGAQZYZQK-KKXNLOMOSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC000963908913 1325432360 /nfs/dbraw/zinc/43/23/60/1325432360.db2.gz ZLCZXZMRPSOKNR-IPJUCJBFSA-N 2 1 349.563 3.266 20 0 EGADMP Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000926128196 1325439582 /nfs/dbraw/zinc/43/95/82/1325439582.db2.gz ZLMISPHAIOGSLX-IFXJQAMLSA-N 2 1 343.471 3.099 20 0 EGADMP Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000926128196 1325439588 /nfs/dbraw/zinc/43/95/88/1325439588.db2.gz ZLMISPHAIOGSLX-IFXJQAMLSA-N 2 1 343.471 3.099 20 0 EGADMP C[N@@H+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027334225 1325494284 /nfs/dbraw/zinc/49/42/84/1325494284.db2.gz KSGNVLZPGZBJSS-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001027334225 1325494287 /nfs/dbraw/zinc/49/42/87/1325494287.db2.gz KSGNVLZPGZBJSS-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001027334225 1325494290 /nfs/dbraw/zinc/49/42/90/1325494290.db2.gz KSGNVLZPGZBJSS-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP COc1ccnc([C@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000926325387 1325516329 /nfs/dbraw/zinc/51/63/29/1325516329.db2.gz LRQOYLRYKCIESO-WMZOPIPTSA-N 2 1 325.456 3.263 20 0 EGADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)[C@H](O)c1ccccc1 ZINC000926330126 1325518716 /nfs/dbraw/zinc/51/87/16/1325518716.db2.gz CWXBKZXIEDFFNO-KKURMSBHSA-N 2 1 346.515 3.120 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCC2CC2)CC1 ZINC000964437058 1325525059 /nfs/dbraw/zinc/52/50/59/1325525059.db2.gz KEZKXEYWLYCBBZ-ACBHZAAOSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@H](C[NH+]1CCCC1)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857132262 1325578041 /nfs/dbraw/zinc/57/80/41/1325578041.db2.gz ZIJLMFSAUVYKOA-WOJBJXKFSA-N 2 1 343.515 3.100 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857147071 1325582382 /nfs/dbraw/zinc/58/23/82/1325582382.db2.gz XYTYYBPHCHNGGZ-XUVXKRRUSA-N 2 1 343.515 3.098 20 0 EGADMP CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001027429943 1327670537 /nfs/dbraw/zinc/67/05/37/1327670537.db2.gz JZQWVHSSEQKDSQ-MRXNPFEDSA-N 2 1 337.533 3.002 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH+](C)CC3CCCC3)C2)C1 ZINC001027438858 1327678635 /nfs/dbraw/zinc/67/86/35/1327678635.db2.gz VVRGRGDAJFHUQD-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CCC[C@H]([N@H+](C)CC3CCCC3)C2)C1 ZINC001027438858 1327678643 /nfs/dbraw/zinc/67/86/43/1327678643.db2.gz VVRGRGDAJFHUQD-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CCC[C@H]([N@@H+](C)CC3CCCC3)C2)C1 ZINC001027438858 1327678651 /nfs/dbraw/zinc/67/86/51/1327678651.db2.gz VVRGRGDAJFHUQD-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cc[nH]c(=O)c1 ZINC000926776445 1327711639 /nfs/dbraw/zinc/71/16/39/1327711639.db2.gz AQQXOOLRDXEIBL-JTDSTZFVSA-N 2 1 325.456 3.206 20 0 EGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc3ccccc3[nH]1)C2 ZINC000926879107 1327753286 /nfs/dbraw/zinc/75/32/86/1327753286.db2.gz IIQRTKWRKKXAAC-UBPOBCSYSA-N 2 1 341.499 3.298 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2=CCCCC2)C1)[NH+](C)C ZINC001027578490 1327913787 /nfs/dbraw/zinc/91/37/87/1327913787.db2.gz LNXKHKXRJYQHEE-OALUTQOASA-N 2 1 335.536 3.140 20 0 EGADMP C[N@@H+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027651150 1328032302 /nfs/dbraw/zinc/03/23/02/1328032302.db2.gz LPCOIVIHYXGJSM-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001027651150 1328032312 /nfs/dbraw/zinc/03/23/12/1328032312.db2.gz LPCOIVIHYXGJSM-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027651150 1328032321 /nfs/dbraw/zinc/03/23/21/1328032321.db2.gz LPCOIVIHYXGJSM-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1)[NH+]1CCCC1 ZINC001027695403 1328102898 /nfs/dbraw/zinc/10/28/98/1328102898.db2.gz UGSJOIYMWWMTTO-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966489373 1328321113 /nfs/dbraw/zinc/32/11/13/1328321113.db2.gz JSVCNDDBRQPOKM-WBVHZDCISA-N 2 1 349.544 3.216 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966489373 1328321120 /nfs/dbraw/zinc/32/11/20/1328321120.db2.gz JSVCNDDBRQPOKM-WBVHZDCISA-N 2 1 349.544 3.216 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CCC2CCCCCC2)CC[N@H+]1C ZINC001027895357 1328360757 /nfs/dbraw/zinc/36/07/57/1328360757.db2.gz WAUAIVCPWMMFOD-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCC2CCCCCC2)CC[NH+]1C ZINC001027895357 1328360763 /nfs/dbraw/zinc/36/07/63/1328360763.db2.gz WAUAIVCPWMMFOD-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCC2CCCCCC2)CC[NH+]1C ZINC001027895357 1328360772 /nfs/dbraw/zinc/36/07/72/1328360772.db2.gz WAUAIVCPWMMFOD-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1c(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCC2)ccc2c[nH+]cn21 ZINC001027982030 1328453936 /nfs/dbraw/zinc/45/39/36/1328453936.db2.gz LERLNYFCNWNLKQ-QGZVFWFLSA-N 2 1 340.471 3.027 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC000865427211 1329695823 /nfs/dbraw/zinc/69/58/23/1329695823.db2.gz ABZWTTOTJZGPER-CQSZACIVSA-N 2 1 348.441 3.187 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)CC1(C)OCCO1 ZINC000865673039 1329728021 /nfs/dbraw/zinc/72/80/21/1329728021.db2.gz QXDBDTINBMSJAD-NSHGMRRFSA-N 2 1 346.515 3.418 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)CC1(C)OCCO1 ZINC000865673039 1329728023 /nfs/dbraw/zinc/72/80/23/1329728023.db2.gz QXDBDTINBMSJAD-NSHGMRRFSA-N 2 1 346.515 3.418 20 0 EGADMP Cc1noc(C[C@@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)n1 ZINC000933569135 1329902006 /nfs/dbraw/zinc/90/20/06/1329902006.db2.gz HODAKSJPTVSUMM-KRWDZBQOSA-N 2 1 337.427 3.018 20 0 EGADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000933899162 1329931848 /nfs/dbraw/zinc/93/18/48/1329931848.db2.gz AIAKQKHJYJMPTB-LJQANCHMSA-N 2 1 330.472 3.010 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000935196185 1330034744 /nfs/dbraw/zinc/03/47/44/1330034744.db2.gz FIOYRYZQYPTMPP-LJQANCHMSA-N 2 1 329.488 3.136 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000866466978 1330116140 /nfs/dbraw/zinc/11/61/40/1330116140.db2.gz QGYFMUKGXBLUBK-QBPKDAKJSA-N 2 1 339.524 3.142 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866666323 1330139641 /nfs/dbraw/zinc/13/96/41/1330139641.db2.gz QJHQBJPTRMNOOH-ZHALLVOQSA-N 2 1 329.488 3.034 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942206319 1331878996 /nfs/dbraw/zinc/87/89/96/1331878996.db2.gz XVAQKDLVRAHBOT-DNVCBOLYSA-N 2 1 340.471 3.049 20 0 EGADMP C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000942302116 1331898130 /nfs/dbraw/zinc/89/81/30/1331898130.db2.gz IWSIHVQSAXHBIT-MAUKXSAKSA-N 2 1 342.487 3.211 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557187 1331971774 /nfs/dbraw/zinc/97/17/74/1331971774.db2.gz CKKXCWUWUVRTAD-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)[C@H](C)C1 ZINC000947547287 1333167716 /nfs/dbraw/zinc/16/77/16/1333167716.db2.gz QDGQRNDIFDXAND-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)[C@H](C)C1 ZINC000947547287 1333167720 /nfs/dbraw/zinc/16/77/20/1333167720.db2.gz QDGQRNDIFDXAND-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CC1=CCCCC1 ZINC000947726785 1333241876 /nfs/dbraw/zinc/24/18/76/1333241876.db2.gz SDBRYNDSVMCEJF-MJGOQNOKSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC1=CCCCC1 ZINC000947726785 1333241878 /nfs/dbraw/zinc/24/18/78/1333241878.db2.gz SDBRYNDSVMCEJF-MJGOQNOKSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CC1=CCCCC1 ZINC000947726785 1333241881 /nfs/dbraw/zinc/24/18/81/1333241881.db2.gz SDBRYNDSVMCEJF-MJGOQNOKSA-N 2 1 347.547 3.188 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947770865 1333256078 /nfs/dbraw/zinc/25/60/78/1333256078.db2.gz CNQQONHTPHEABY-FUHWJXTLSA-N 2 1 348.535 3.412 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947770865 1333256079 /nfs/dbraw/zinc/25/60/79/1333256079.db2.gz CNQQONHTPHEABY-FUHWJXTLSA-N 2 1 348.535 3.412 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCC1CCCC1 ZINC000947776646 1333258622 /nfs/dbraw/zinc/25/86/22/1333258622.db2.gz XSYGYETYOMVHJN-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCC1CCCCC1 ZINC000947934829 1333312333 /nfs/dbraw/zinc/31/23/33/1333312333.db2.gz MPMGSTVYSUVQDP-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)[C@@H](C)C1 ZINC000948043797 1333351444 /nfs/dbraw/zinc/35/14/44/1333351444.db2.gz IYZXVUHXGVGGLR-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)[C@@H](C)C1 ZINC000948043797 1333351446 /nfs/dbraw/zinc/35/14/46/1333351446.db2.gz IYZXVUHXGVGGLR-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1CCC1CC1 ZINC000948056111 1333357981 /nfs/dbraw/zinc/35/79/81/1333357981.db2.gz HHHRRQWCSJNTGA-OXJNMPFZSA-N 2 1 343.515 3.131 20 0 EGADMP CCCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434972 1333523146 /nfs/dbraw/zinc/52/31/46/1333523146.db2.gz HCRITCONWJENOD-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948434972 1333523149 /nfs/dbraw/zinc/52/31/49/1333523149.db2.gz HCRITCONWJENOD-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948434972 1333523151 /nfs/dbraw/zinc/52/31/51/1333523151.db2.gz HCRITCONWJENOD-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473955 1333540038 /nfs/dbraw/zinc/54/00/38/1333540038.db2.gz NQQHVRPNZPCFFU-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000948553825 1333572085 /nfs/dbraw/zinc/57/20/85/1333572085.db2.gz LWLMYVYEYQLPPD-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC000948553825 1333572087 /nfs/dbraw/zinc/57/20/87/1333572087.db2.gz LWLMYVYEYQLPPD-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC000948553825 1333572091 /nfs/dbraw/zinc/57/20/91/1333572091.db2.gz LWLMYVYEYQLPPD-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC(C)C)CC1 ZINC000948574343 1333582477 /nfs/dbraw/zinc/58/24/77/1333582477.db2.gz FILLMZOSIXEVMO-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC(C)C)CC1 ZINC000948574343 1333582479 /nfs/dbraw/zinc/58/24/79/1333582479.db2.gz FILLMZOSIXEVMO-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC(C)C)CC1 ZINC000948574343 1333582484 /nfs/dbraw/zinc/58/24/84/1333582484.db2.gz FILLMZOSIXEVMO-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948591461 1333587550 /nfs/dbraw/zinc/58/75/50/1333587550.db2.gz XXGYEICPJQDAOQ-SFHVURJKSA-N 2 1 340.471 3.061 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948643178 1333609211 /nfs/dbraw/zinc/60/92/11/1333609211.db2.gz RLZJMPMFXWHHJQ-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000948717461 1333645458 /nfs/dbraw/zinc/64/54/58/1333645458.db2.gz URPCSKMCXRHPGM-GBESFXJTSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000948717461 1333645461 /nfs/dbraw/zinc/64/54/61/1333645461.db2.gz URPCSKMCXRHPGM-GBESFXJTSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000948717461 1333645463 /nfs/dbraw/zinc/64/54/63/1333645463.db2.gz URPCSKMCXRHPGM-GBESFXJTSA-N 2 1 337.552 3.076 20 0 EGADMP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000948860805 1333712622 /nfs/dbraw/zinc/71/26/22/1333712622.db2.gz HEMWIOAWAMAWAI-FQEVSTJZSA-N 2 1 343.515 3.085 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+]([C@@H](C)c2ccccc2C)C1 ZINC000950631665 1334099111 /nfs/dbraw/zinc/09/91/11/1334099111.db2.gz WSZLITXTDGDKIQ-FXAWDEMLSA-N 2 1 343.515 3.073 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+]([C@@H](C)c2ccccc2C)C1 ZINC000950631665 1334099116 /nfs/dbraw/zinc/09/91/16/1334099116.db2.gz WSZLITXTDGDKIQ-FXAWDEMLSA-N 2 1 343.515 3.073 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1C[NH+](CC2CCCCC2)C1 ZINC000950708004 1334119595 /nfs/dbraw/zinc/11/95/95/1334119595.db2.gz HSCDACFAXINOTG-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000951192650 1334203453 /nfs/dbraw/zinc/20/34/53/1334203453.db2.gz TWXMJDTZPBQKOW-MOPGFXCFSA-N 2 1 343.515 3.156 20 0 EGADMP CC[C@@H](C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000951362252 1334231581 /nfs/dbraw/zinc/23/15/81/1334231581.db2.gz NVBOPMUUAJILCH-YLJYHZDGSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1C[NH+](CC2CCCCC2)C1 ZINC000952401737 1334449186 /nfs/dbraw/zinc/44/91/86/1334449186.db2.gz FQSSBVDVLKENPZ-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1C[NH+](CCCC2CCC2)C1 ZINC000952406920 1334451234 /nfs/dbraw/zinc/45/12/34/1334451234.db2.gz MZCQFNQXJHSTTO-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1C[NH+](CCCC2CCC2)C1 ZINC000952406920 1334451236 /nfs/dbraw/zinc/45/12/36/1334451236.db2.gz MZCQFNQXJHSTTO-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H]1CC[N@@H+](CCCC2CCCC2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968194001 1335869472 /nfs/dbraw/zinc/86/94/72/1335869472.db2.gz XLWUZORAAZKTCN-XLIONFOSSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@@H+](CC(C)C)CC[C@@H]2C)o1 ZINC000968688699 1336012249 /nfs/dbraw/zinc/01/22/49/1336012249.db2.gz NHYHZFCKIABTIZ-WMZOPIPTSA-N 2 1 349.519 3.218 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCCC1 ZINC000968850412 1336067287 /nfs/dbraw/zinc/06/72/87/1336067287.db2.gz YAMSNGZKVZKCIF-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCCC1 ZINC000968850412 1336067289 /nfs/dbraw/zinc/06/72/89/1336067289.db2.gz YAMSNGZKVZKCIF-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCCC1 ZINC000968850412 1336067292 /nfs/dbraw/zinc/06/72/92/1336067292.db2.gz YAMSNGZKVZKCIF-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000968851783 1336067383 /nfs/dbraw/zinc/06/73/83/1336067383.db2.gz ZJJXTHNNIAIABL-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCCC1 ZINC000968850414 1336067915 /nfs/dbraw/zinc/06/79/15/1336067915.db2.gz YAMSNGZKVZKCIF-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCCC1 ZINC000968850414 1336067916 /nfs/dbraw/zinc/06/79/16/1336067916.db2.gz YAMSNGZKVZKCIF-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCCC1 ZINC000968850414 1336067920 /nfs/dbraw/zinc/06/79/20/1336067920.db2.gz YAMSNGZKVZKCIF-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC(C)C ZINC000968882439 1336079418 /nfs/dbraw/zinc/07/94/18/1336079418.db2.gz NTTBHHBOCMSOHO-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCC(C)C ZINC000968882439 1336079419 /nfs/dbraw/zinc/07/94/19/1336079419.db2.gz NTTBHHBOCMSOHO-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCC(C)C ZINC000968882439 1336079423 /nfs/dbraw/zinc/07/94/23/1336079423.db2.gz NTTBHHBOCMSOHO-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC2CCC2)C1 ZINC000968888727 1336080842 /nfs/dbraw/zinc/08/08/42/1336080842.db2.gz YMKQDXCHGVRMEH-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC2CCC2)C1 ZINC000968888727 1336080844 /nfs/dbraw/zinc/08/08/44/1336080844.db2.gz YMKQDXCHGVRMEH-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC2CCC2)C1 ZINC000968888727 1336080846 /nfs/dbraw/zinc/08/08/46/1336080846.db2.gz YMKQDXCHGVRMEH-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC000968904385 1336085158 /nfs/dbraw/zinc/08/51/58/1336085158.db2.gz RKVHGWVFESKGRQ-WOJBJXKFSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CCCC1 ZINC000968920454 1336088854 /nfs/dbraw/zinc/08/88/54/1336088854.db2.gz VTMXDZBWQGSTQF-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CCCC1 ZINC000968920454 1336088857 /nfs/dbraw/zinc/08/88/57/1336088857.db2.gz VTMXDZBWQGSTQF-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CCCC1 ZINC000968920454 1336088859 /nfs/dbraw/zinc/08/88/59/1336088859.db2.gz VTMXDZBWQGSTQF-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCC1CCCC1 ZINC000968920454 1336088862 /nfs/dbraw/zinc/08/88/62/1336088862.db2.gz VTMXDZBWQGSTQF-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC2CCC2)C1 ZINC000968990321 1336111796 /nfs/dbraw/zinc/11/17/96/1336111796.db2.gz ASJSXTJMXXZURN-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC2CCC2)C1 ZINC000968990321 1336111797 /nfs/dbraw/zinc/11/17/97/1336111797.db2.gz ASJSXTJMXXZURN-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC2CCC2)C1 ZINC000968990321 1336111800 /nfs/dbraw/zinc/11/18/00/1336111800.db2.gz ASJSXTJMXXZURN-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000969072466 1336137868 /nfs/dbraw/zinc/13/78/68/1336137868.db2.gz JNXFYBGBERCRFD-FQEVSTJZSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000970528497 1336317757 /nfs/dbraw/zinc/31/77/57/1336317757.db2.gz HHKKQLUGRJOCKD-FXAWDEMLSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005503973 1336363448 /nfs/dbraw/zinc/36/34/48/1336363448.db2.gz OLYSCKHRVLCWKF-YLJYHZDGSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C2CC[NH+](CC3CCCC3)CC2)C1 ZINC001005872275 1336413770 /nfs/dbraw/zinc/41/37/70/1336413770.db2.gz UJCUMWPXMKABFI-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001005872543 1336414201 /nfs/dbraw/zinc/41/42/01/1336414201.db2.gz BXGBFDJILRLYDB-LJQANCHMSA-N 2 1 335.536 3.115 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001006001468 1336436127 /nfs/dbraw/zinc/43/61/27/1336436127.db2.gz OBICSGRRJPSREO-FXAWDEMLSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CCC2CC2)CC1 ZINC001006278650 1336480899 /nfs/dbraw/zinc/48/08/99/1336480899.db2.gz MMENBAAKDHOTTH-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1cc(Br)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1O ZINC001205651192 1370829115 /nfs/dbraw/zinc/82/91/15/1370829115.db2.gz AZALHDOUDOOKJD-YPMHNXCESA-N 2 1 341.293 3.270 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CCCc1ccccc1Br ZINC001205901201 1370904634 /nfs/dbraw/zinc/90/46/34/1370904634.db2.gz BSSPAQMRRNGXAP-HIFRSBDPSA-N 2 1 325.294 3.441 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001007497139 1336658010 /nfs/dbraw/zinc/65/80/10/1336658010.db2.gz AVBFNKQXPYKCAB-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001007497139 1336658012 /nfs/dbraw/zinc/65/80/12/1336658012.db2.gz AVBFNKQXPYKCAB-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001007497139 1336658015 /nfs/dbraw/zinc/65/80/15/1336658015.db2.gz AVBFNKQXPYKCAB-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[NH+](Cc2ccsc2)C1 ZINC001007500311 1336658573 /nfs/dbraw/zinc/65/85/73/1336658573.db2.gz RXZCXBVWPQWUQS-QZTJIDSGSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001007500311 1336658576 /nfs/dbraw/zinc/65/85/76/1336658576.db2.gz RXZCXBVWPQWUQS-QZTJIDSGSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC001007500311 1336658578 /nfs/dbraw/zinc/65/85/78/1336658578.db2.gz RXZCXBVWPQWUQS-QZTJIDSGSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001007749088 1336694392 /nfs/dbraw/zinc/69/43/92/1336694392.db2.gz UPAOFTMOXIVVLT-RBUKOAKNSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001007749088 1336694395 /nfs/dbraw/zinc/69/43/95/1336694395.db2.gz UPAOFTMOXIVVLT-RBUKOAKNSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001007749088 1336694398 /nfs/dbraw/zinc/69/43/98/1336694398.db2.gz UPAOFTMOXIVVLT-RBUKOAKNSA-N 2 1 349.563 3.124 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2CCCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001008052749 1336759399 /nfs/dbraw/zinc/75/93/99/1336759399.db2.gz OPITTXXHTLGBMR-VQTJNVASSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3=CCCCC3)C2)C1 ZINC001008278750 1336813333 /nfs/dbraw/zinc/81/33/33/1336813333.db2.gz PXTFUINQEAVADT-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC3=CCCCC3)C2)C1 ZINC001008278750 1336813334 /nfs/dbraw/zinc/81/33/34/1336813334.db2.gz PXTFUINQEAVADT-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001008278750 1336813336 /nfs/dbraw/zinc/81/33/36/1336813336.db2.gz PXTFUINQEAVADT-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(Br)c1 ZINC001206003251 1370934660 /nfs/dbraw/zinc/93/46/60/1370934660.db2.gz GDPLHYZLZPIESF-OLZOCXBDSA-N 2 1 341.293 3.265 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008540669 1336877959 /nfs/dbraw/zinc/87/79/59/1336877959.db2.gz OPGWEMHSDAXPNS-HXUWFJFHSA-N 2 1 345.531 3.031 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001008553599 1336880350 /nfs/dbraw/zinc/88/03/50/1336880350.db2.gz VMMHPRHUDGJJFE-MJGOQNOKSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001008553599 1336880351 /nfs/dbraw/zinc/88/03/51/1336880351.db2.gz VMMHPRHUDGJJFE-MJGOQNOKSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001008553599 1336880353 /nfs/dbraw/zinc/88/03/53/1336880353.db2.gz VMMHPRHUDGJJFE-MJGOQNOKSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001008769104 1336923765 /nfs/dbraw/zinc/92/37/65/1336923765.db2.gz OUJXRRBUFIDGPW-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001008769104 1336923768 /nfs/dbraw/zinc/92/37/68/1336923768.db2.gz OUJXRRBUFIDGPW-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001008769104 1336923770 /nfs/dbraw/zinc/92/37/70/1336923770.db2.gz OUJXRRBUFIDGPW-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001009632973 1337049213 /nfs/dbraw/zinc/04/92/13/1337049213.db2.gz FVWHRNPVDRDAPH-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001009632973 1337049214 /nfs/dbraw/zinc/04/92/14/1337049214.db2.gz FVWHRNPVDRDAPH-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001009632973 1337049216 /nfs/dbraw/zinc/04/92/16/1337049216.db2.gz FVWHRNPVDRDAPH-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009682569 1337058970 /nfs/dbraw/zinc/05/89/70/1337058970.db2.gz OYWXDSUVBYIAMZ-INIZCTEOSA-N 2 1 335.492 3.116 20 0 EGADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001014447872 1337780189 /nfs/dbraw/zinc/78/01/89/1337780189.db2.gz QXFAGFVWEAHPPT-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001014633890 1337854586 /nfs/dbraw/zinc/85/45/86/1337854586.db2.gz UMEIGDSLTYZTOJ-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001014633890 1337854588 /nfs/dbraw/zinc/85/45/88/1337854588.db2.gz UMEIGDSLTYZTOJ-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001014633890 1337854593 /nfs/dbraw/zinc/85/45/93/1337854593.db2.gz UMEIGDSLTYZTOJ-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CCC2CCCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001015388332 1338120544 /nfs/dbraw/zinc/12/05/44/1338120544.db2.gz PNVPWWHWJLDMSW-PMACEKPBSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001015503447 1338161843 /nfs/dbraw/zinc/16/18/43/1338161843.db2.gz JZMUIUSGDPTDPO-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001015603453 1338204512 /nfs/dbraw/zinc/20/45/12/1338204512.db2.gz TUFHEJMAMVIBKP-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001015603453 1338204514 /nfs/dbraw/zinc/20/45/14/1338204514.db2.gz TUFHEJMAMVIBKP-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001015603453 1338204516 /nfs/dbraw/zinc/20/45/16/1338204516.db2.gz TUFHEJMAMVIBKP-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015713612 1338272026 /nfs/dbraw/zinc/27/20/26/1338272026.db2.gz POFXUMCSRIHYOM-HXUWFJFHSA-N 2 1 345.531 3.031 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001015796036 1338315798 /nfs/dbraw/zinc/31/57/98/1338315798.db2.gz UZYIHMWKJFFSAP-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001016336654 1338554569 /nfs/dbraw/zinc/55/45/69/1338554569.db2.gz DAUNADHNIAQUDW-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001016336654 1338554573 /nfs/dbraw/zinc/55/45/73/1338554573.db2.gz DAUNADHNIAQUDW-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001016336654 1338554574 /nfs/dbraw/zinc/55/45/74/1338554574.db2.gz DAUNADHNIAQUDW-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001016688169 1338690713 /nfs/dbraw/zinc/69/07/13/1338690713.db2.gz OSXIGPJPZMFXDM-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016862484 1338751466 /nfs/dbraw/zinc/75/14/66/1338751466.db2.gz ZZWJYTVDSGARAT-RBUKOAKNSA-N 2 1 347.547 3.186 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@@H](C[N@@H+](C)CC3CC(C)(C)C3)C2)CCC1 ZINC001017142336 1338893809 /nfs/dbraw/zinc/89/38/09/1338893809.db2.gz NEFCNWLMSDIMFG-KRWDZBQOSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001017192698 1338938997 /nfs/dbraw/zinc/93/89/97/1338938997.db2.gz CFAIZFKRZYNNRF-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@H+](CC1CCCC1)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001017252879 1338983257 /nfs/dbraw/zinc/98/32/57/1338983257.db2.gz QBDFSGCGNQUGST-KRWDZBQOSA-N 2 1 346.519 3.048 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001017252879 1338983259 /nfs/dbraw/zinc/98/32/59/1338983259.db2.gz QBDFSGCGNQUGST-KRWDZBQOSA-N 2 1 346.519 3.048 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001017594077 1339374664 /nfs/dbraw/zinc/37/46/64/1339374664.db2.gz MPBLRUIDRNUFLM-OIISXLGYSA-N 2 1 349.544 3.145 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001017594077 1339374670 /nfs/dbraw/zinc/37/46/70/1339374670.db2.gz MPBLRUIDRNUFLM-OIISXLGYSA-N 2 1 349.544 3.145 20 0 EGADMP CC(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001017689008 1339391597 /nfs/dbraw/zinc/39/15/97/1339391597.db2.gz LDKQPYADLSZFCE-KDURUIRLSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001017689008 1339391599 /nfs/dbraw/zinc/39/15/99/1339391599.db2.gz LDKQPYADLSZFCE-KDURUIRLSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001017689008 1339391602 /nfs/dbraw/zinc/39/16/02/1339391602.db2.gz LDKQPYADLSZFCE-KDURUIRLSA-N 2 1 349.563 3.361 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+]2CC2CC(C)(C)C2)C1 ZINC001028089378 1340418714 /nfs/dbraw/zinc/41/87/14/1340418714.db2.gz ZXHFUPUTJFNJAP-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC2CC(C)(C)C2)C1 ZINC001028089378 1340418717 /nfs/dbraw/zinc/41/87/17/1340418717.db2.gz ZXHFUPUTJFNJAP-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC2CC(C)(C)C2)C1 ZINC001028089378 1340418720 /nfs/dbraw/zinc/41/87/20/1340418720.db2.gz ZXHFUPUTJFNJAP-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCC(C)(C)C)C1 ZINC001028089360 1340419140 /nfs/dbraw/zinc/41/91/40/1340419140.db2.gz ZQHKJRAKQSZIJJ-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCC(C)(C)C)C1 ZINC001028089360 1340419141 /nfs/dbraw/zinc/41/91/41/1340419141.db2.gz ZQHKJRAKQSZIJJ-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCC(C)(C)C)C1 ZINC001028089360 1340419143 /nfs/dbraw/zinc/41/91/43/1340419143.db2.gz ZQHKJRAKQSZIJJ-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCC2CCCCC2)CC[N@H+]1C ZINC001028098149 1340425211 /nfs/dbraw/zinc/42/52/11/1340425211.db2.gz KUAQTABSILUZHE-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCC2CCCCC2)CC[NH+]1C ZINC001028098149 1340425213 /nfs/dbraw/zinc/42/52/13/1340425213.db2.gz KUAQTABSILUZHE-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCC2CCCCC2)CC[NH+]1C ZINC001028098149 1340425215 /nfs/dbraw/zinc/42/52/15/1340425215.db2.gz KUAQTABSILUZHE-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CC(C)(C)C1 ZINC001028181494 1340471762 /nfs/dbraw/zinc/47/17/62/1340471762.db2.gz UGZSXBUQTWRHJZ-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001028181494 1340471763 /nfs/dbraw/zinc/47/17/63/1340471763.db2.gz UGZSXBUQTWRHJZ-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC001028181494 1340471765 /nfs/dbraw/zinc/47/17/65/1340471765.db2.gz UGZSXBUQTWRHJZ-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001028334938 1340572661 /nfs/dbraw/zinc/57/26/61/1340572661.db2.gz LCMBLTIQBKBSCY-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001028334938 1340572664 /nfs/dbraw/zinc/57/26/64/1340572664.db2.gz LCMBLTIQBKBSCY-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CC2(CCC2)C1 ZINC001028334938 1340572665 /nfs/dbraw/zinc/57/26/65/1340572665.db2.gz LCMBLTIQBKBSCY-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001028537962 1340693415 /nfs/dbraw/zinc/69/34/15/1340693415.db2.gz WKAKSIGQCQDAJR-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001028537962 1340693416 /nfs/dbraw/zinc/69/34/16/1340693416.db2.gz WKAKSIGQCQDAJR-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001028537962 1340693417 /nfs/dbraw/zinc/69/34/17/1340693417.db2.gz WKAKSIGQCQDAJR-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001028579543 1340712449 /nfs/dbraw/zinc/71/24/49/1340712449.db2.gz GVJXYJVDILSPQK-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001028579543 1340712451 /nfs/dbraw/zinc/71/24/51/1340712451.db2.gz GVJXYJVDILSPQK-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001028579543 1340712453 /nfs/dbraw/zinc/71/24/53/1340712453.db2.gz GVJXYJVDILSPQK-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001029004396 1340905260 /nfs/dbraw/zinc/90/52/60/1340905260.db2.gz WEKOCVJBLZYLDM-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001029004396 1340905262 /nfs/dbraw/zinc/90/52/62/1340905262.db2.gz WEKOCVJBLZYLDM-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001029004396 1340905265 /nfs/dbraw/zinc/90/52/65/1340905265.db2.gz WEKOCVJBLZYLDM-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001029107519 1340931722 /nfs/dbraw/zinc/93/17/22/1340931722.db2.gz AHELDKIPGKAKGV-QGZVFWFLSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001029107429 1340931738 /nfs/dbraw/zinc/93/17/38/1340931738.db2.gz MTAZDWVLIJGZLJ-VQIMIIECSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]([NH2+]CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001029108299 1340931747 /nfs/dbraw/zinc/93/17/47/1340931747.db2.gz ZCBJUBMCTLXUOX-JXFKEZNVSA-N 2 1 347.547 3.020 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)CC ZINC001029314273 1340970538 /nfs/dbraw/zinc/97/05/38/1340970538.db2.gz MDDQLVZIEAJQIF-XLAORIBOSA-N 2 1 346.519 3.118 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001029314273 1340970539 /nfs/dbraw/zinc/97/05/39/1340970539.db2.gz MDDQLVZIEAJQIF-XLAORIBOSA-N 2 1 346.519 3.118 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001029759069 1341064799 /nfs/dbraw/zinc/06/47/99/1341064799.db2.gz KPLWBSQEBZNFEU-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001029759069 1341064800 /nfs/dbraw/zinc/06/48/00/1341064800.db2.gz KPLWBSQEBZNFEU-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001029759069 1341064801 /nfs/dbraw/zinc/06/48/01/1341064801.db2.gz KPLWBSQEBZNFEU-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)CC1CCCCC1 ZINC001029799906 1341076640 /nfs/dbraw/zinc/07/66/40/1341076640.db2.gz HKDZQKORNAIOMN-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)CC1CCCCC1 ZINC001029799907 1341076682 /nfs/dbraw/zinc/07/66/82/1341076682.db2.gz HKDZQKORNAIOMN-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2C)CC1)[NH+](C)C ZINC001029972904 1341139653 /nfs/dbraw/zinc/13/96/53/1341139653.db2.gz PGXGKXYPHOCPTE-HXUWFJFHSA-N 2 1 345.531 3.006 20 0 EGADMP C[N@@H+](CC1CCCC1)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001029982639 1341143549 /nfs/dbraw/zinc/14/35/49/1341143549.db2.gz HQPXGBBCKMWSAX-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+](C)CC2CC(C)C2)CC1 ZINC001030014882 1341158339 /nfs/dbraw/zinc/15/83/39/1341158339.db2.gz RTEJPWOXVGYWCX-LYBXBRPPSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CC2CC(C)C2)CC1 ZINC001030014882 1341158340 /nfs/dbraw/zinc/15/83/40/1341158340.db2.gz RTEJPWOXVGYWCX-LYBXBRPPSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CC2CC(C)C2)CC1 ZINC001030014882 1341158341 /nfs/dbraw/zinc/15/83/41/1341158341.db2.gz RTEJPWOXVGYWCX-LYBXBRPPSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(C[NH+](C)CC2CCCC2)CC1 ZINC001030014912 1341158506 /nfs/dbraw/zinc/15/85/06/1341158506.db2.gz TYCVCUJOIXITRH-HDICACEKSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C[N@H+](C)CC2CCCC2)CC1 ZINC001030014912 1341158507 /nfs/dbraw/zinc/15/85/07/1341158507.db2.gz TYCVCUJOIXITRH-HDICACEKSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C[N@@H+](C)CC2CCCC2)CC1 ZINC001030014912 1341158509 /nfs/dbraw/zinc/15/85/09/1341158509.db2.gz TYCVCUJOIXITRH-HDICACEKSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)(C(=O)NC1C[NH+](CCCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001030313002 1341178006 /nfs/dbraw/zinc/17/80/06/1341178006.db2.gz MYSRXEXLURGSIJ-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(NC1C[NH+](CC2CCCCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001030444163 1341188019 /nfs/dbraw/zinc/18/80/19/1341188019.db2.gz FFGPYKZFSGEVMS-FQEVSTJZSA-N 2 1 347.547 3.164 20 0 EGADMP CCC[N@@H+]1CCC[C@@H](C(=O)NC2C[NH+]([C@@H](CC)c3ccccc3)C2)C1 ZINC001030826144 1341231621 /nfs/dbraw/zinc/23/16/21/1341231621.db2.gz VOQVWGNYXJRSIT-QUCCMNQESA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2C[NH+]([C@@H](CC)c3ccccc3)C2)C1 ZINC001030826144 1341231623 /nfs/dbraw/zinc/23/16/23/1341231623.db2.gz VOQVWGNYXJRSIT-QUCCMNQESA-N 2 1 343.515 3.060 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001031081956 1341275609 /nfs/dbraw/zinc/27/56/09/1341275609.db2.gz DYBKPTBSSSYNTR-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001031081956 1341275611 /nfs/dbraw/zinc/27/56/11/1341275611.db2.gz DYBKPTBSSSYNTR-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC2C[NH+](CCC3=CCCCC3)C2)cc1 ZINC001031104389 1341278073 /nfs/dbraw/zinc/27/80/73/1341278073.db2.gz QUGUQVZDLUAVGO-UHFFFAOYSA-N 2 1 341.499 3.053 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1=CCCCC1 ZINC001032663739 1341575858 /nfs/dbraw/zinc/57/58/58/1341575858.db2.gz AABJOTLKQOAHQM-SLFFLAALSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CCCCC1 ZINC001032663739 1341575859 /nfs/dbraw/zinc/57/58/59/1341575859.db2.gz AABJOTLKQOAHQM-SLFFLAALSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CCCCC1 ZINC001032663739 1341575860 /nfs/dbraw/zinc/57/58/60/1341575860.db2.gz AABJOTLKQOAHQM-SLFFLAALSA-N 2 1 345.531 3.035 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC(CC)CC ZINC001032726059 1341593088 /nfs/dbraw/zinc/59/30/88/1341593088.db2.gz FHZZTRODPMSLPB-UFYCRDLUSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(CC)CC ZINC001032726059 1341593089 /nfs/dbraw/zinc/59/30/89/1341593089.db2.gz FHZZTRODPMSLPB-UFYCRDLUSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(CC)CC ZINC001032726059 1341593090 /nfs/dbraw/zinc/59/30/90/1341593090.db2.gz FHZZTRODPMSLPB-UFYCRDLUSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033074309 1341716271 /nfs/dbraw/zinc/71/62/71/1341716271.db2.gz YDXSPAPNXVWEKS-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033074309 1341716273 /nfs/dbraw/zinc/71/62/73/1341716273.db2.gz YDXSPAPNXVWEKS-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033074309 1341716274 /nfs/dbraw/zinc/71/62/74/1341716274.db2.gz YDXSPAPNXVWEKS-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033074521 1341716937 /nfs/dbraw/zinc/71/69/37/1341716937.db2.gz ARIAZWGZEPGVHT-KRWDZBQOSA-N 2 1 337.552 3.220 20 0 EGADMP CC1CCC(C[N@H+]2CC[C@@H](N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001033318686 1341779872 /nfs/dbraw/zinc/77/98/72/1341779872.db2.gz LECXITXQXGIJQL-CTWPCTMYSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001033350358 1341791708 /nfs/dbraw/zinc/79/17/08/1341791708.db2.gz AGOPPUQMPHIRJR-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCC3CCCC3)C2)C1 ZINC001033350358 1341791711 /nfs/dbraw/zinc/79/17/11/1341791711.db2.gz AGOPPUQMPHIRJR-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001033350358 1341791712 /nfs/dbraw/zinc/79/17/12/1341791712.db2.gz AGOPPUQMPHIRJR-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033504378 1341849990 /nfs/dbraw/zinc/84/99/90/1341849990.db2.gz HCXCFMOBZFEKOQ-FQEVSTJZSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001033546830 1341865728 /nfs/dbraw/zinc/86/57/28/1341865728.db2.gz GHJHPMPLOJGDHG-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033683596 1341949741 /nfs/dbraw/zinc/94/97/41/1341949741.db2.gz IECUXHUREFCDTR-LJQANCHMSA-N 2 1 345.531 3.331 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CCC(C)C)C2)o1 ZINC001033699008 1341965715 /nfs/dbraw/zinc/96/57/15/1341965715.db2.gz HVJRJLYIENSKLA-KRWDZBQOSA-N 2 1 349.519 3.314 20 0 EGADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033826255 1342027407 /nfs/dbraw/zinc/02/74/07/1342027407.db2.gz NNEAMBDNROKMRT-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033826255 1342027410 /nfs/dbraw/zinc/02/74/10/1342027410.db2.gz NNEAMBDNROKMRT-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033826255 1342027412 /nfs/dbraw/zinc/02/74/12/1342027412.db2.gz NNEAMBDNROKMRT-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033853391 1342044478 /nfs/dbraw/zinc/04/44/78/1342044478.db2.gz AHDQKAAKMSNCCP-IAGOWNOFSA-N 2 1 346.519 3.120 20 0 EGADMP CCN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033853391 1342044479 /nfs/dbraw/zinc/04/44/79/1342044479.db2.gz AHDQKAAKMSNCCP-IAGOWNOFSA-N 2 1 346.519 3.120 20 0 EGADMP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033936002 1342099012 /nfs/dbraw/zinc/09/90/12/1342099012.db2.gz LPEJSJMZKVOCKG-WDSOQIARSA-N 2 1 349.563 3.076 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033936002 1342099013 /nfs/dbraw/zinc/09/90/13/1342099013.db2.gz LPEJSJMZKVOCKG-WDSOQIARSA-N 2 1 349.563 3.076 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033936002 1342099015 /nfs/dbraw/zinc/09/90/15/1342099015.db2.gz LPEJSJMZKVOCKG-WDSOQIARSA-N 2 1 349.563 3.076 20 0 EGADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001034046273 1342185956 /nfs/dbraw/zinc/18/59/56/1342185956.db2.gz RFOPGNMTNKLLSE-OEPRFQHASA-N 2 1 349.906 3.037 20 0 EGADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001034046273 1342185960 /nfs/dbraw/zinc/18/59/60/1342185960.db2.gz RFOPGNMTNKLLSE-OEPRFQHASA-N 2 1 349.906 3.037 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210607 1342320632 /nfs/dbraw/zinc/32/06/32/1342320632.db2.gz IFJQQJLOGGADHT-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210607 1342320637 /nfs/dbraw/zinc/32/06/37/1342320637.db2.gz IFJQQJLOGGADHT-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210607 1342320639 /nfs/dbraw/zinc/32/06/39/1342320639.db2.gz IFJQQJLOGGADHT-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034248560 1342346518 /nfs/dbraw/zinc/34/65/18/1342346518.db2.gz DKXNVCVNKCGKHC-RBUKOAKNSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034248560 1342346522 /nfs/dbraw/zinc/34/65/22/1342346522.db2.gz DKXNVCVNKCGKHC-RBUKOAKNSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034248560 1342346525 /nfs/dbraw/zinc/34/65/25/1342346525.db2.gz DKXNVCVNKCGKHC-RBUKOAKNSA-N 2 1 335.536 3.186 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034272603 1342364552 /nfs/dbraw/zinc/36/45/52/1342364552.db2.gz VYVLARHYJCQMLO-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034272603 1342364553 /nfs/dbraw/zinc/36/45/53/1342364553.db2.gz VYVLARHYJCQMLO-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCCCCC2)C1 ZINC001034272603 1342364555 /nfs/dbraw/zinc/36/45/55/1342364555.db2.gz VYVLARHYJCQMLO-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCCCC2)C1 ZINC001034272603 1342364558 /nfs/dbraw/zinc/36/45/58/1342364558.db2.gz VYVLARHYJCQMLO-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034287968 1342374833 /nfs/dbraw/zinc/37/48/33/1342374833.db2.gz JRMSDCAFYJGCKJ-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034287968 1342374835 /nfs/dbraw/zinc/37/48/35/1342374835.db2.gz JRMSDCAFYJGCKJ-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034287968 1342374836 /nfs/dbraw/zinc/37/48/36/1342374836.db2.gz JRMSDCAFYJGCKJ-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340261 1342413103 /nfs/dbraw/zinc/41/31/03/1342413103.db2.gz MUCIBPKWCADDPL-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001034398180 1342465390 /nfs/dbraw/zinc/46/53/90/1342465390.db2.gz NIEROTITKKAXGA-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001034398180 1342465392 /nfs/dbraw/zinc/46/53/92/1342465392.db2.gz NIEROTITKKAXGA-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001034398180 1342465394 /nfs/dbraw/zinc/46/53/94/1342465394.db2.gz NIEROTITKKAXGA-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001034398183 1342466712 /nfs/dbraw/zinc/46/67/12/1342466712.db2.gz NIEROTITKKAXGA-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001034398183 1342466714 /nfs/dbraw/zinc/46/67/14/1342466714.db2.gz NIEROTITKKAXGA-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001034398183 1342466716 /nfs/dbraw/zinc/46/67/16/1342466716.db2.gz NIEROTITKKAXGA-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](CCCC3CCCC3)C2)C1 ZINC001034490634 1342547191 /nfs/dbraw/zinc/54/71/91/1342547191.db2.gz MKDIKTAFDUUKDZ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@H+](CCCC3CCCC3)C2)C1 ZINC001034490634 1342547196 /nfs/dbraw/zinc/54/71/96/1342547196.db2.gz MKDIKTAFDUUKDZ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001034490634 1342547199 /nfs/dbraw/zinc/54/71/99/1342547199.db2.gz MKDIKTAFDUUKDZ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001034526199 1342583621 /nfs/dbraw/zinc/58/36/21/1342583621.db2.gz VQSTXQJEUOMQGG-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001034526199 1342583624 /nfs/dbraw/zinc/58/36/24/1342583624.db2.gz VQSTXQJEUOMQGG-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001034526199 1342583627 /nfs/dbraw/zinc/58/36/27/1342583627.db2.gz VQSTXQJEUOMQGG-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@@H+](CCC2CCCCCC2)C1 ZINC001034528096 1342584014 /nfs/dbraw/zinc/58/40/14/1342584014.db2.gz JUSUIFAWJQRXRM-HXUWFJFHSA-N 2 1 349.563 3.413 20 0 EGADMP CC1(C)CCC(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001034528781 1342585656 /nfs/dbraw/zinc/58/56/56/1342585656.db2.gz RAKMKOVRITVHKG-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034538251 1342595262 /nfs/dbraw/zinc/59/52/62/1342595262.db2.gz KHDRVTIOXZLPDX-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034538251 1342595267 /nfs/dbraw/zinc/59/52/67/1342595267.db2.gz KHDRVTIOXZLPDX-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034538251 1342595270 /nfs/dbraw/zinc/59/52/70/1342595270.db2.gz KHDRVTIOXZLPDX-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034537973 1342595446 /nfs/dbraw/zinc/59/54/46/1342595446.db2.gz GUDLJPYKWPGARV-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCCC2)C1 ZINC001034537973 1342595449 /nfs/dbraw/zinc/59/54/49/1342595449.db2.gz GUDLJPYKWPGARV-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCCC2)C1 ZINC001034537973 1342595452 /nfs/dbraw/zinc/59/54/52/1342595452.db2.gz GUDLJPYKWPGARV-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538437 1342596567 /nfs/dbraw/zinc/59/65/67/1342596567.db2.gz STHBEXDERJATDR-IBGZPJMESA-N 2 1 331.504 3.133 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](C(C)C)C2)o1 ZINC001034544111 1342604937 /nfs/dbraw/zinc/60/49/37/1342604937.db2.gz FFLYHPQHWHOLCJ-INIZCTEOSA-N 2 1 335.492 3.114 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[C@@H]([NH2+]CC2CC(C)C2)CC1 ZINC001034663354 1342677947 /nfs/dbraw/zinc/67/79/47/1342677947.db2.gz UNVNETLHOLFWJJ-WFAGLZIHSA-N 2 1 349.563 3.312 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034792100 1342760757 /nfs/dbraw/zinc/76/07/57/1342760757.db2.gz FALNBQNOYOZYOZ-NCXUSEDFSA-N 2 1 343.515 3.025 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC2CCCC2)cc1 ZINC001034820603 1342783818 /nfs/dbraw/zinc/78/38/18/1342783818.db2.gz JYIOIFLXEBRXCZ-HXUWFJFHSA-N 2 1 343.515 3.067 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001034954692 1342851976 /nfs/dbraw/zinc/85/19/76/1342851976.db2.gz UASOAGADZRTNQX-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001035052480 1342899596 /nfs/dbraw/zinc/89/95/96/1342899596.db2.gz YGIBBPDSERZASR-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001035071607 1342911949 /nfs/dbraw/zinc/91/19/49/1342911949.db2.gz ZMBWQNQGDVFQPN-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CCC(C)C)C2)CC1 ZINC001035192311 1343006478 /nfs/dbraw/zinc/00/64/78/1343006478.db2.gz XUOHREDTDFJCEQ-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CCC(C)C)C2)CC1 ZINC001035192311 1343006482 /nfs/dbraw/zinc/00/64/82/1343006482.db2.gz XUOHREDTDFJCEQ-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CCC(C)C)C2)CC1 ZINC001035192311 1343006487 /nfs/dbraw/zinc/00/64/87/1343006487.db2.gz XUOHREDTDFJCEQ-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001035196152 1343009578 /nfs/dbraw/zinc/00/95/78/1343009578.db2.gz VJPSDVMHYPQIIP-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[NH+]1C)CC2 ZINC001035196152 1343009582 /nfs/dbraw/zinc/00/95/82/1343009582.db2.gz VJPSDVMHYPQIIP-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[NH+]1C)CC2 ZINC001035196152 1343009584 /nfs/dbraw/zinc/00/95/84/1343009584.db2.gz VJPSDVMHYPQIIP-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001035195959 1343009655 /nfs/dbraw/zinc/00/96/55/1343009655.db2.gz MADFVANASXOIBL-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035195959 1343009659 /nfs/dbraw/zinc/00/96/59/1343009659.db2.gz MADFVANASXOIBL-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001035195959 1343009661 /nfs/dbraw/zinc/00/96/61/1343009661.db2.gz MADFVANASXOIBL-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001036099125 1343312859 /nfs/dbraw/zinc/31/28/59/1343312859.db2.gz XLWVYTNSUYVUDE-SJLPKXTDSA-N 2 1 337.552 3.122 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036730968 1343661179 /nfs/dbraw/zinc/66/11/79/1343661179.db2.gz MCZCVLUBIUFALP-NVXWUHKLSA-N 2 1 349.544 3.146 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036854593 1343788781 /nfs/dbraw/zinc/78/87/81/1343788781.db2.gz NXMVLGFEDSQCLR-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902515 1343849000 /nfs/dbraw/zinc/84/90/00/1343849000.db2.gz LQPYYWZIZHHPMJ-PMACEKPBSA-N 2 1 343.515 3.085 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036904288 1343851003 /nfs/dbraw/zinc/85/10/03/1343851003.db2.gz PFNIAPXFKWXJEZ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1[NH2+]CCC1CC1 ZINC001037925163 1344184691 /nfs/dbraw/zinc/18/46/91/1344184691.db2.gz IOAUJVHTPTUORF-ROUUACIJSA-N 2 1 346.519 3.023 20 0 EGADMP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1[NH2+]CC(C)C ZINC001037929953 1344187980 /nfs/dbraw/zinc/18/79/80/1344187980.db2.gz ILTRSOXHZSTADU-MSOLQXFVSA-N 2 1 348.535 3.269 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248783 1344343881 /nfs/dbraw/zinc/34/38/81/1344343881.db2.gz PQCWNGRQGMMIAM-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248783 1344343883 /nfs/dbraw/zinc/34/38/83/1344343883.db2.gz PQCWNGRQGMMIAM-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248783 1344343884 /nfs/dbraw/zinc/34/38/84/1344343884.db2.gz PQCWNGRQGMMIAM-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001038315199 1344376285 /nfs/dbraw/zinc/37/62/85/1344376285.db2.gz PEJVOFCEFSUXSA-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001038315199 1344376288 /nfs/dbraw/zinc/37/62/88/1344376288.db2.gz PEJVOFCEFSUXSA-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CC1CCCCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038352444 1344392826 /nfs/dbraw/zinc/39/28/26/1344392826.db2.gz HKKVPUWSAORVDO-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CC1CCCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038352444 1344392832 /nfs/dbraw/zinc/39/28/32/1344392832.db2.gz HKKVPUWSAORVDO-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CC1CCCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038352444 1344392839 /nfs/dbraw/zinc/39/28/39/1344392839.db2.gz HKKVPUWSAORVDO-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CCCC1CCCC1)C12CCC[NH+](CCC1)C2 ZINC001038407822 1344415075 /nfs/dbraw/zinc/41/50/75/1344415075.db2.gz ZTTXFMMVFOMINI-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001039047642 1344733281 /nfs/dbraw/zinc/73/32/81/1344733281.db2.gz FSAVUKMFWOFMOK-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001039047642 1344733284 /nfs/dbraw/zinc/73/32/84/1344733284.db2.gz FSAVUKMFWOFMOK-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001039047642 1344733288 /nfs/dbraw/zinc/73/32/88/1344733288.db2.gz FSAVUKMFWOFMOK-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001039051026 1344735492 /nfs/dbraw/zinc/73/54/92/1344735492.db2.gz RFNIZWLBMYCVJR-LJQANCHMSA-N 2 1 343.515 3.133 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CCC(C)(C)C)C2)CC1 ZINC001039126458 1344803079 /nfs/dbraw/zinc/80/30/79/1344803079.db2.gz LGYONCMXMPPBGV-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001039126458 1344803082 /nfs/dbraw/zinc/80/30/82/1344803082.db2.gz LGYONCMXMPPBGV-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001039126458 1344803083 /nfs/dbraw/zinc/80/30/83/1344803083.db2.gz LGYONCMXMPPBGV-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001039131010 1344809022 /nfs/dbraw/zinc/80/90/22/1344809022.db2.gz DBJVTNQOGYQPJO-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CC[C@H](C2CCN(C(=O)c3sccc3C[NH+](C)C)CC2)C1 ZINC001039140407 1344820680 /nfs/dbraw/zinc/82/06/80/1344820680.db2.gz GJFBQNFUVIGFPZ-INIZCTEOSA-N 2 1 349.544 3.004 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039153781 1344838182 /nfs/dbraw/zinc/83/81/82/1344838182.db2.gz HQTWQQMXVPDOPZ-VQTJNVASSA-N 2 1 349.563 3.099 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167054 1344853232 /nfs/dbraw/zinc/85/32/32/1344853232.db2.gz KXEFQRPPAJDTPM-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182115 1344879692 /nfs/dbraw/zinc/87/96/92/1344879692.db2.gz JFBNMSPTOHEMJP-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001039282739 1344995638 /nfs/dbraw/zinc/99/56/38/1344995638.db2.gz STOKBMNBNJJEDX-NXEWRWPSSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001039398070 1345045890 /nfs/dbraw/zinc/04/58/90/1345045890.db2.gz JWEMGMSJTJJHGE-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001039398070 1345045891 /nfs/dbraw/zinc/04/58/91/1345045891.db2.gz JWEMGMSJTJJHGE-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001039398070 1345045896 /nfs/dbraw/zinc/04/58/96/1345045896.db2.gz JWEMGMSJTJJHGE-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001039435258 1345066293 /nfs/dbraw/zinc/06/62/93/1345066293.db2.gz ZRABCUIBMLSEHT-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001039435258 1345066297 /nfs/dbraw/zinc/06/62/97/1345066297.db2.gz ZRABCUIBMLSEHT-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001039435258 1345066300 /nfs/dbraw/zinc/06/63/00/1345066300.db2.gz ZRABCUIBMLSEHT-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C(=O)N1CCC([N@@H+](CC2CC2)CC2CCCC2)CC1)[NH+](C)C ZINC001039488942 1345108900 /nfs/dbraw/zinc/10/89/00/1345108900.db2.gz GOJIQDAISHXVOH-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCC(C)(C)C)CC[N@H+]1C ZINC001039592698 1345147195 /nfs/dbraw/zinc/14/71/95/1345147195.db2.gz UOQKVVTYWSCUOW-ZSYWTGECSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001039592698 1345147200 /nfs/dbraw/zinc/14/72/00/1345147200.db2.gz UOQKVVTYWSCUOW-ZSYWTGECSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001039592698 1345147203 /nfs/dbraw/zinc/14/72/03/1345147203.db2.gz UOQKVVTYWSCUOW-ZSYWTGECSA-N 2 1 349.563 3.218 20 0 EGADMP C[N@@H+](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCCC1)C1CCC1 ZINC001039644467 1345152405 /nfs/dbraw/zinc/15/24/05/1345152405.db2.gz CBZCASFKYXLQJR-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCCC1)C1CCC1 ZINC001039644467 1345152409 /nfs/dbraw/zinc/15/24/09/1345152409.db2.gz CBZCASFKYXLQJR-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCCC1)C1CCC1 ZINC001039644467 1345152414 /nfs/dbraw/zinc/15/24/14/1345152414.db2.gz CBZCASFKYXLQJR-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3C[C@H](C)CC)C1 ZINC001039861134 1345217159 /nfs/dbraw/zinc/21/71/59/1345217159.db2.gz XMRBIORCVVOPSK-WTGUMLROSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C[C@H](C)CC)C1 ZINC001039861134 1345217163 /nfs/dbraw/zinc/21/71/63/1345217163.db2.gz XMRBIORCVVOPSK-WTGUMLROSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C[C@H](C)CC)C1 ZINC001039861134 1345217166 /nfs/dbraw/zinc/21/71/66/1345217166.db2.gz XMRBIORCVVOPSK-WTGUMLROSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001040014976 1345288300 /nfs/dbraw/zinc/28/83/00/1345288300.db2.gz VJBGWHPHMFMTGP-MKXGPGLRSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040245838 1345394500 /nfs/dbraw/zinc/39/45/00/1345394500.db2.gz YODIDFASAWOHEJ-CTNGQTDRSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040245838 1345394506 /nfs/dbraw/zinc/39/45/06/1345394506.db2.gz YODIDFASAWOHEJ-CTNGQTDRSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040245838 1345394511 /nfs/dbraw/zinc/39/45/11/1345394511.db2.gz YODIDFASAWOHEJ-CTNGQTDRSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCC1)C2)[NH+](C)C ZINC001040251372 1345395928 /nfs/dbraw/zinc/39/59/28/1345395928.db2.gz XLLKUBGULWTJRW-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040355748 1345450652 /nfs/dbraw/zinc/45/06/52/1345450652.db2.gz DDMYOTIEFARWAP-ZJOUEHCJSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001040355748 1345450655 /nfs/dbraw/zinc/45/06/55/1345450655.db2.gz DDMYOTIEFARWAP-ZJOUEHCJSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001040355748 1345450656 /nfs/dbraw/zinc/45/06/56/1345450656.db2.gz DDMYOTIEFARWAP-ZJOUEHCJSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040393418 1345473906 /nfs/dbraw/zinc/47/39/06/1345473906.db2.gz BOUXNXLUICNRTA-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040393418 1345473911 /nfs/dbraw/zinc/47/39/11/1345473911.db2.gz BOUXNXLUICNRTA-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040393418 1345473914 /nfs/dbraw/zinc/47/39/14/1345473914.db2.gz BOUXNXLUICNRTA-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001040817497 1345581829 /nfs/dbraw/zinc/58/18/29/1345581829.db2.gz RICPXUBNSYPDML-IBGZPJMESA-N 2 1 349.563 3.223 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC3(C2)CC[NH+](CCC(C)(C)C)CC3)C1 ZINC001040915001 1345599161 /nfs/dbraw/zinc/59/91/61/1345599161.db2.gz SSUMQTYWSGSMPD-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041299699 1345696476 /nfs/dbraw/zinc/69/64/76/1345696476.db2.gz DPNAOFJBNXSBTP-PXNSSMCTSA-N 2 1 346.519 3.121 20 0 EGADMP CCCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041299699 1345696478 /nfs/dbraw/zinc/69/64/78/1345696478.db2.gz DPNAOFJBNXSBTP-PXNSSMCTSA-N 2 1 346.519 3.121 20 0 EGADMP CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847126 1345872306 /nfs/dbraw/zinc/87/23/06/1345872306.db2.gz JCMFEWOKLOIBGR-PZJWPPBQSA-N 2 1 343.515 3.014 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847126 1345872308 /nfs/dbraw/zinc/87/23/08/1345872308.db2.gz JCMFEWOKLOIBGR-PZJWPPBQSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+]([C@H](CC)c2ccccc2)C1 ZINC001042849829 1346121040 /nfs/dbraw/zinc/12/10/40/1346121040.db2.gz XWXJHWAEGKLLGF-UXHICEINSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+]([C@H](CC)c2ccccc2)C1 ZINC001042849829 1346121041 /nfs/dbraw/zinc/12/10/41/1346121041.db2.gz XWXJHWAEGKLLGF-UXHICEINSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001042924339 1346124980 /nfs/dbraw/zinc/12/49/80/1346124980.db2.gz QCJOUXJJKCNULF-MJGOQNOKSA-N 2 1 343.515 3.153 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001042924339 1346124982 /nfs/dbraw/zinc/12/49/82/1346124982.db2.gz QCJOUXJJKCNULF-MJGOQNOKSA-N 2 1 343.515 3.153 20 0 EGADMP CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1C[NH+](CCC2=CCCCC2)C1 ZINC001043075425 1346137075 /nfs/dbraw/zinc/13/70/75/1346137075.db2.gz ZBPHOQFLAJZREN-QUCCMNQESA-N 2 1 345.531 3.036 20 0 EGADMP CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1C[NH+](CCC2=CCCCC2)C1 ZINC001043075425 1346137077 /nfs/dbraw/zinc/13/70/77/1346137077.db2.gz ZBPHOQFLAJZREN-QUCCMNQESA-N 2 1 345.531 3.036 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001044741607 1346418265 /nfs/dbraw/zinc/41/82/65/1346418265.db2.gz CBWYIJZCUWYVBC-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045035464 1346484233 /nfs/dbraw/zinc/48/42/33/1346484233.db2.gz YFUKPEKTMGAJNG-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CCCCC2)C1 ZINC001045065629 1346488691 /nfs/dbraw/zinc/48/86/91/1346488691.db2.gz BECYQEBROWFADT-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CC(C)(C)C2)C1 ZINC001045165092 1346512769 /nfs/dbraw/zinc/51/27/69/1346512769.db2.gz ZNAOGIONVQNHHX-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CCC3CCCCC3)CC2)CC[N@H+]1C ZINC001045444453 1346595097 /nfs/dbraw/zinc/59/50/97/1346595097.db2.gz BJZFOOUPJXQONI-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001045640383 1346655954 /nfs/dbraw/zinc/65/59/54/1346655954.db2.gz PATGKTYWKYGANY-RBUKOAKNSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)[NH+]1CCCCC1 ZINC001045780908 1346696949 /nfs/dbraw/zinc/69/69/49/1346696949.db2.gz YCDMKZQKLQKYEI-MOPGFXCFSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(C)C ZINC001045876312 1346729021 /nfs/dbraw/zinc/72/90/21/1346729021.db2.gz GBTNEACDLJTKRS-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001045876312 1346729023 /nfs/dbraw/zinc/72/90/23/1346729023.db2.gz GBTNEACDLJTKRS-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001045876312 1346729025 /nfs/dbraw/zinc/72/90/25/1346729025.db2.gz GBTNEACDLJTKRS-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045937714 1346773844 /nfs/dbraw/zinc/77/38/44/1346773844.db2.gz INIXDCHUTFWZMA-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045937714 1346773846 /nfs/dbraw/zinc/77/38/46/1346773846.db2.gz INIXDCHUTFWZMA-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001045937714 1346773848 /nfs/dbraw/zinc/77/38/48/1346773848.db2.gz INIXDCHUTFWZMA-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045937715 1346773902 /nfs/dbraw/zinc/77/39/02/1346773902.db2.gz INIXDCHUTFWZMA-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045937715 1346773906 /nfs/dbraw/zinc/77/39/06/1346773906.db2.gz INIXDCHUTFWZMA-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001045937715 1346773908 /nfs/dbraw/zinc/77/39/08/1346773908.db2.gz INIXDCHUTFWZMA-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CC(C)C)C2)C1 ZINC001045942053 1346777607 /nfs/dbraw/zinc/77/76/07/1346777607.db2.gz QQEDSLCNGBGSDU-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001045942053 1346777608 /nfs/dbraw/zinc/77/76/08/1346777608.db2.gz QQEDSLCNGBGSDU-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001045942053 1346777610 /nfs/dbraw/zinc/77/76/10/1346777610.db2.gz QQEDSLCNGBGSDU-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@]3(CC[NH+](C(C)C)C3)C2)C1 ZINC001045943902 1346779504 /nfs/dbraw/zinc/77/95/04/1346779504.db2.gz RGQAIZDURBOSRI-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CCCC[C@@]3(CC[N@@H+](C(C)C)C3)C2)C1 ZINC001045943902 1346779506 /nfs/dbraw/zinc/77/95/06/1346779506.db2.gz RGQAIZDURBOSRI-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CCCC[C@@]3(CC[N@H+](C(C)C)C3)C2)C1 ZINC001045943902 1346779509 /nfs/dbraw/zinc/77/95/09/1346779509.db2.gz RGQAIZDURBOSRI-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001045950550 1346785415 /nfs/dbraw/zinc/78/54/15/1346785415.db2.gz FNMUSJZAEBEPNU-HXUWFJFHSA-N 2 1 340.471 3.063 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@]3(CC[NH+](CCC(C)(C)C)C3)C2)C1 ZINC001045984677 1346825408 /nfs/dbraw/zinc/82/54/08/1346825408.db2.gz GLBVMWGQMWGCPE-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N2CCCC[C@]3(CC[N@H+](CCC(C)(C)C)C3)C2)C1 ZINC001045984677 1346825411 /nfs/dbraw/zinc/82/54/11/1346825411.db2.gz GLBVMWGQMWGCPE-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N2CCCC[C@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)C1 ZINC001045984677 1346825413 /nfs/dbraw/zinc/82/54/13/1346825413.db2.gz GLBVMWGQMWGCPE-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045986679 1346828286 /nfs/dbraw/zinc/82/82/86/1346828286.db2.gz XZUWNJGCQIIAQS-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CC2CCCCCC2)C1 ZINC001046314291 1346931524 /nfs/dbraw/zinc/93/15/24/1346931524.db2.gz AXRZALJCFNLNLC-FPOVZHCZSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC2CCCCCC2)C1 ZINC001046314291 1346931525 /nfs/dbraw/zinc/93/15/25/1346931525.db2.gz AXRZALJCFNLNLC-FPOVZHCZSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC2CCCCCC2)C1 ZINC001046314291 1346931527 /nfs/dbraw/zinc/93/15/27/1346931527.db2.gz AXRZALJCFNLNLC-FPOVZHCZSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@]1(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+](CC2CCC2)C1 ZINC001046317005 1346932197 /nfs/dbraw/zinc/93/21/97/1346932197.db2.gz DGLCBAIBXTVIRW-GHTZIAJQSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@]1(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+](CC2CCC2)C1 ZINC001046317005 1346932199 /nfs/dbraw/zinc/93/21/99/1346932199.db2.gz DGLCBAIBXTVIRW-GHTZIAJQSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@]1(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](CC2CCC2)C1 ZINC001046317005 1346932201 /nfs/dbraw/zinc/93/22/01/1346932201.db2.gz DGLCBAIBXTVIRW-GHTZIAJQSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](CC3=CCCCC3)C2)C1 ZINC001046375732 1346954860 /nfs/dbraw/zinc/95/48/60/1346954860.db2.gz OYKIIOFXJGRJCU-PZJWPPBQSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001046375732 1346954862 /nfs/dbraw/zinc/95/48/62/1346954862.db2.gz OYKIIOFXJGRJCU-PZJWPPBQSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001046375732 1346954863 /nfs/dbraw/zinc/95/48/63/1346954863.db2.gz OYKIIOFXJGRJCU-PZJWPPBQSA-N 2 1 347.547 3.045 20 0 EGADMP Cc1c(C(=O)N[C@@]2(C)CC[N@@H+](CC3CCCC3)C2)ccc2c[nH+]cn21 ZINC001046436428 1346975337 /nfs/dbraw/zinc/97/53/37/1346975337.db2.gz PWJPCUCLEISMNU-FQEVSTJZSA-N 2 1 340.471 3.027 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@]2(C)CC[NH+](CC3=CCCCC3)C2)C1 ZINC001046562845 1347018755 /nfs/dbraw/zinc/01/87/55/1347018755.db2.gz SKZNKYWUGRKJMW-TZIWHRDSSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@]2(C)CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001046562845 1347018758 /nfs/dbraw/zinc/01/87/58/1347018758.db2.gz SKZNKYWUGRKJMW-TZIWHRDSSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001046562845 1347018759 /nfs/dbraw/zinc/01/87/59/1347018759.db2.gz SKZNKYWUGRKJMW-TZIWHRDSSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001046742002 1347078615 /nfs/dbraw/zinc/07/86/15/1347078615.db2.gz MPWDAYNQNUQGBN-NRFANRHFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046850867 1347129402 /nfs/dbraw/zinc/12/94/02/1347129402.db2.gz AXTGSFAMHJBGHD-NRFANRHFSA-N 2 1 345.531 3.379 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CC=C(C)C)C2)o1 ZINC001046864272 1347136713 /nfs/dbraw/zinc/13/67/13/1347136713.db2.gz QYRDKNCOBGJAHL-FQEVSTJZSA-N 2 1 347.503 3.282 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CCC(C)C)C2)o1 ZINC001046864226 1347136816 /nfs/dbraw/zinc/13/68/16/1347136816.db2.gz QAJSDDSWTXBXIW-FQEVSTJZSA-N 2 1 349.519 3.362 20 0 EGADMP CC(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001047225665 1347256186 /nfs/dbraw/zinc/25/61/86/1347256186.db2.gz GYLCCQZNBYKUHB-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H](C3CC[NH+](CC)CC3)C2)C1 ZINC001047248597 1347273295 /nfs/dbraw/zinc/27/32/95/1347273295.db2.gz NGGBKSBRQXBBBL-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047257779 1347280589 /nfs/dbraw/zinc/28/05/89/1347280589.db2.gz UDJXLDQZFIFCGY-ICSRJNTNSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001047258148 1347281416 /nfs/dbraw/zinc/28/14/16/1347281416.db2.gz YEJGYNZMLODNOC-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+]1CCC[C@H](Oc2ccc(Br)c(C[NH+](C)C)c2)C1 ZINC001228545905 1375593562 /nfs/dbraw/zinc/59/35/62/1375593562.db2.gz PJWLUTAZEIBDQS-HNNXBMFYSA-N 2 1 341.293 3.374 20 0 EGADMP CC[N@H+]1CCC[C@H](Oc2ccc(Br)c(C[NH+](C)C)c2)C1 ZINC001228545905 1375593573 /nfs/dbraw/zinc/59/35/73/1375593573.db2.gz PJWLUTAZEIBDQS-HNNXBMFYSA-N 2 1 341.293 3.374 20 0 EGADMP C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047975902 1347431380 /nfs/dbraw/zinc/43/13/80/1347431380.db2.gz PATBVHWENKYMNY-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)CC ZINC001048529966 1347579716 /nfs/dbraw/zinc/57/97/16/1347579716.db2.gz AEZLYQAQJWDKRG-KNJMJIDISA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)CC ZINC001048529966 1347579720 /nfs/dbraw/zinc/57/97/20/1347579720.db2.gz AEZLYQAQJWDKRG-KNJMJIDISA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001048529966 1347579722 /nfs/dbraw/zinc/57/97/22/1347579722.db2.gz AEZLYQAQJWDKRG-KNJMJIDISA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001048558049 1347592224 /nfs/dbraw/zinc/59/22/24/1347592224.db2.gz WFABYTOMXNALOL-HAGHYFMRSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001048558049 1347592225 /nfs/dbraw/zinc/59/22/25/1347592225.db2.gz WFABYTOMXNALOL-HAGHYFMRSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001048558049 1347592226 /nfs/dbraw/zinc/59/22/26/1347592226.db2.gz WFABYTOMXNALOL-HAGHYFMRSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CC(C[NH2+]C[C@H]2CC[C@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001048610421 1347617739 /nfs/dbraw/zinc/61/77/39/1347617739.db2.gz HGFOPLIXORUOBF-DHRHBVOQSA-N 2 1 349.563 3.029 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H](C)CC)C[C@@H]2C1 ZINC001049165296 1347737330 /nfs/dbraw/zinc/73/73/30/1347737330.db2.gz LWNPFTQDXQYRRL-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)CC)C[C@@H]2C1 ZINC001049165296 1347737332 /nfs/dbraw/zinc/73/73/32/1347737332.db2.gz LWNPFTQDXQYRRL-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)CC)C[C@@H]2C1 ZINC001049165296 1347737334 /nfs/dbraw/zinc/73/73/34/1347737334.db2.gz LWNPFTQDXQYRRL-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC1CCCC1 ZINC001049367688 1347807302 /nfs/dbraw/zinc/80/73/02/1347807302.db2.gz ASPXRFONBVQQIJ-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC1CCCC1 ZINC001049367688 1347807305 /nfs/dbraw/zinc/80/73/05/1347807305.db2.gz ASPXRFONBVQQIJ-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCC1CCCC1 ZINC001049367688 1347807308 /nfs/dbraw/zinc/80/73/08/1347807308.db2.gz ASPXRFONBVQQIJ-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477429 1347868477 /nfs/dbraw/zinc/86/84/77/1347868477.db2.gz GQSSWRNVOVRHTH-OALUTQOASA-N 2 1 347.547 3.282 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC2CCCCC2)CCC1 ZINC001049517049 1347887785 /nfs/dbraw/zinc/88/77/85/1347887785.db2.gz GMBPDXALHAPTRZ-MOPGFXCFSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049520818 1347889088 /nfs/dbraw/zinc/88/90/88/1347889088.db2.gz DYWUYCQBYSWYJJ-VAMGGRTRSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001049520818 1347889091 /nfs/dbraw/zinc/88/90/91/1347889091.db2.gz DYWUYCQBYSWYJJ-VAMGGRTRSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001049520818 1347889092 /nfs/dbraw/zinc/88/90/92/1347889092.db2.gz DYWUYCQBYSWYJJ-VAMGGRTRSA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049535846 1347896890 /nfs/dbraw/zinc/89/68/90/1347896890.db2.gz KJXUILOATCFFEZ-XUVXKRRUSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001049535846 1347896892 /nfs/dbraw/zinc/89/68/92/1347896892.db2.gz KJXUILOATCFFEZ-XUVXKRRUSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001049535846 1347896895 /nfs/dbraw/zinc/89/68/95/1347896895.db2.gz KJXUILOATCFFEZ-XUVXKRRUSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1=CCCCC1 ZINC001049553492 1347906025 /nfs/dbraw/zinc/90/60/25/1347906025.db2.gz VKBXWNUTGJXCQM-VAMGGRTRSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1=CCCCC1 ZINC001049553492 1347906027 /nfs/dbraw/zinc/90/60/27/1347906027.db2.gz VKBXWNUTGJXCQM-VAMGGRTRSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1=CCCCC1 ZINC001049553492 1347906028 /nfs/dbraw/zinc/90/60/28/1347906028.db2.gz VKBXWNUTGJXCQM-VAMGGRTRSA-N 2 1 345.531 3.036 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCC1CCC1 ZINC001049654509 1347957298 /nfs/dbraw/zinc/95/72/98/1347957298.db2.gz JGFQTXNZTMZMFH-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC1CCC1 ZINC001049654509 1347957301 /nfs/dbraw/zinc/95/73/01/1347957301.db2.gz JGFQTXNZTMZMFH-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC1CCC1 ZINC001049654509 1347957303 /nfs/dbraw/zinc/95/73/03/1347957303.db2.gz JGFQTXNZTMZMFH-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C)[NH+](C)C ZINC001049703661 1347981498 /nfs/dbraw/zinc/98/14/98/1347981498.db2.gz LXKGBBOBAYZDQJ-OKZBNKHCSA-N 2 1 337.552 3.074 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049789498 1348023425 /nfs/dbraw/zinc/02/34/25/1348023425.db2.gz AJPVNCUBPKWQIW-UXHICEINSA-N 2 1 343.515 3.083 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1=CCCCC1 ZINC001049897878 1348099000 /nfs/dbraw/zinc/09/90/00/1348099000.db2.gz VFPVCBRWFJBCGR-UXHICEINSA-N 2 1 345.531 3.038 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCC1 ZINC001049914881 1348109617 /nfs/dbraw/zinc/10/96/17/1348109617.db2.gz RQGRRJNUICMFSP-VQTJNVASSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049915464 1348109935 /nfs/dbraw/zinc/10/99/35/1348109935.db2.gz VYYBFPPBUXHDPH-VAMGGRTRSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049915464 1348109936 /nfs/dbraw/zinc/10/99/36/1348109936.db2.gz VYYBFPPBUXHDPH-VAMGGRTRSA-N 2 1 343.515 3.011 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049919392 1348112789 /nfs/dbraw/zinc/11/27/89/1348112789.db2.gz OVLHACQPTKDIPG-AQNXPRMDSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001049919392 1348112791 /nfs/dbraw/zinc/11/27/91/1348112791.db2.gz OVLHACQPTKDIPG-AQNXPRMDSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001049919392 1348112792 /nfs/dbraw/zinc/11/27/92/1348112792.db2.gz OVLHACQPTKDIPG-AQNXPRMDSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]21)[NH+](C)C ZINC001050074559 1348173147 /nfs/dbraw/zinc/17/31/47/1348173147.db2.gz LLJISAODRRHHCW-GSEOLPGOSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CC2CC2)cc1 ZINC001050261646 1348221475 /nfs/dbraw/zinc/22/14/75/1348221475.db2.gz IMXHIOGDOPVEFT-UZLBHIALSA-N 2 1 343.515 3.236 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCCC3)CC2)C1 ZINC001050385700 1348246164 /nfs/dbraw/zinc/24/61/64/1348246164.db2.gz RSVKHKHAJGPTGO-UFYCRDLUSA-N 2 1 349.563 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001050537859 1348286076 /nfs/dbraw/zinc/28/60/76/1348286076.db2.gz ZYOPCWSXPCIFHP-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001050543683 1348286914 /nfs/dbraw/zinc/28/69/14/1348286914.db2.gz KCKZTTDWKKUNIK-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001050550574 1348288207 /nfs/dbraw/zinc/28/82/07/1348288207.db2.gz NGXTWKZDYQXHSG-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@H](C)CC)CC3)C1 ZINC001050630176 1348308719 /nfs/dbraw/zinc/30/87/19/1348308719.db2.gz LIVHCQVVAVDTIW-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052378992 1348536312 /nfs/dbraw/zinc/53/63/12/1348536312.db2.gz ZKCYCSXUQYEHRQ-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052394936 1348539870 /nfs/dbraw/zinc/53/98/70/1348539870.db2.gz IAHHVFJGPRURNQ-GBESFXJTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001052394936 1348539873 /nfs/dbraw/zinc/53/98/73/1348539873.db2.gz IAHHVFJGPRURNQ-GBESFXJTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001052394936 1348539877 /nfs/dbraw/zinc/53/98/77/1348539877.db2.gz IAHHVFJGPRURNQ-GBESFXJTSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515199 1348563980 /nfs/dbraw/zinc/56/39/80/1348563980.db2.gz BHGYRHRQPQIQKL-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515199 1348563983 /nfs/dbraw/zinc/56/39/83/1348563983.db2.gz BHGYRHRQPQIQKL-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052515199 1348563985 /nfs/dbraw/zinc/56/39/85/1348563985.db2.gz BHGYRHRQPQIQKL-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccn2c[nH+]cc2c1 ZINC001052531662 1348567431 /nfs/dbraw/zinc/56/74/31/1348567431.db2.gz MJIMKYPENUGEKG-IBGZPJMESA-N 2 1 348.450 3.119 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3CC(C)(C)C3)CC2)CC[N@H+]1C ZINC001052658811 1348616783 /nfs/dbraw/zinc/61/67/83/1348616783.db2.gz ZKYWPXSKXNNICX-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC3CC(C)(C)C3)CC2)CC[NH+]1C ZINC001052658811 1348616786 /nfs/dbraw/zinc/61/67/86/1348616786.db2.gz ZKYWPXSKXNNICX-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC3CC(C)(C)C3)CC2)CC[NH+]1C ZINC001052658811 1348616788 /nfs/dbraw/zinc/61/67/88/1348616788.db2.gz ZKYWPXSKXNNICX-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC001052765421 1348670382 /nfs/dbraw/zinc/67/03/82/1348670382.db2.gz ZEIPCTFFJGIFOW-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052838061 1348696280 /nfs/dbraw/zinc/69/62/80/1348696280.db2.gz ZPZNAPGPBVSGJX-IBGZPJMESA-N 2 1 335.536 3.044 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052956654 1348771009 /nfs/dbraw/zinc/77/10/09/1348771009.db2.gz WIOXDBUYHHAYCR-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001052956654 1348771012 /nfs/dbraw/zinc/77/10/12/1348771012.db2.gz WIOXDBUYHHAYCR-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001052956654 1348771013 /nfs/dbraw/zinc/77/10/13/1348771013.db2.gz WIOXDBUYHHAYCR-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCC(C)(C)C)CC1 ZINC001052985260 1348788206 /nfs/dbraw/zinc/78/82/06/1348788206.db2.gz DYIMGDFFPFQQIH-KDURUIRLSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053105073 1348941364 /nfs/dbraw/zinc/94/13/64/1348941364.db2.gz LGICKFMARJMIEQ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254983 1357537647 /nfs/dbraw/zinc/53/76/47/1357537647.db2.gz KZVCDVNCDXFSBY-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP Clc1ccc([C@@H]2CC[N@@H+](CC[C@H]3C[NH2+]CCO3)C2)cc1Cl ZINC001235882996 1376908936 /nfs/dbraw/zinc/90/89/36/1376908936.db2.gz WEQIYIICHLROBI-KGLIPLIRSA-N 2 1 329.271 3.161 20 0 EGADMP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001086176818 1359015571 /nfs/dbraw/zinc/01/55/71/1359015571.db2.gz QYCSBMCYVCFCOC-WSTZPKSXSA-N 2 1 347.547 3.068 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CCCC1CCCC1 ZINC001071796673 1354941142 /nfs/dbraw/zinc/94/11/42/1354941142.db2.gz VNWUDWQRLFTNNI-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CCC1CCCC1 ZINC001071822485 1354962580 /nfs/dbraw/zinc/96/25/80/1354962580.db2.gz XSUHZMGOLXLDHV-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CCC1CCCC1 ZINC001071822485 1354962584 /nfs/dbraw/zinc/96/25/84/1354962584.db2.gz XSUHZMGOLXLDHV-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CCC1CCCC1 ZINC001071822485 1354962587 /nfs/dbraw/zinc/96/25/87/1354962587.db2.gz XSUHZMGOLXLDHV-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001071919872 1355024814 /nfs/dbraw/zinc/02/48/14/1355024814.db2.gz JLPVINQVDQBDQM-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001072084409 1355120272 /nfs/dbraw/zinc/12/02/72/1355120272.db2.gz BPPVZTVCFDCTMZ-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001072084409 1355120275 /nfs/dbraw/zinc/12/02/75/1355120275.db2.gz BPPVZTVCFDCTMZ-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP CCCC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072099699 1355130127 /nfs/dbraw/zinc/13/01/27/1355130127.db2.gz VXIJODQPIBWNJW-AEFFLSMTSA-N 2 1 331.504 3.131 20 0 EGADMP CCC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1C ZINC001072109358 1355136110 /nfs/dbraw/zinc/13/61/10/1355136110.db2.gz FSVXPWDFDQODSS-JKSUJKDBSA-N 2 1 335.492 3.114 20 0 EGADMP C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C[NH2+]CC1CC1 ZINC001072309250 1355232050 /nfs/dbraw/zinc/23/20/50/1355232050.db2.gz GBLFLHZVJFEXPP-FUHWJXTLSA-N 2 1 349.563 3.124 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)C(C)C ZINC001074015641 1356035990 /nfs/dbraw/zinc/03/59/90/1356035990.db2.gz IFNKTJGEJQYYKD-DLBZAZTESA-N 2 1 334.508 3.118 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)C(C)C ZINC001074015641 1356035993 /nfs/dbraw/zinc/03/59/93/1356035993.db2.gz IFNKTJGEJQYYKD-DLBZAZTESA-N 2 1 334.508 3.118 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001074100121 1356082955 /nfs/dbraw/zinc/08/29/55/1356082955.db2.gz RPTCMVCJNGKVTR-AZUAARDMSA-N 2 1 343.515 3.156 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C)c1cccc(Cl)c1 ZINC001074792981 1356243614 /nfs/dbraw/zinc/24/36/14/1356243614.db2.gz QNGLSFYLSHZHCE-IDCJVQTKSA-N 2 1 349.906 3.074 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001074832440 1356260354 /nfs/dbraw/zinc/26/03/54/1356260354.db2.gz OXFLXTHTQHGVBK-ZULIPRJHSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C)c1ccccc1 ZINC001074831872 1356260365 /nfs/dbraw/zinc/26/03/65/1356260365.db2.gz FLOBILHJBFVZAC-TXTPUJOMSA-N 2 1 343.515 3.057 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001082559401 1358057282 /nfs/dbraw/zinc/05/72/82/1358057282.db2.gz DQBRJNNKHCBFHT-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC1CCCCCC1 ZINC001082570141 1358057641 /nfs/dbraw/zinc/05/76/41/1358057641.db2.gz ADXYDNDWENCVDF-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(CC)CC)C[C@H]32)C1 ZINC001084598833 1358253707 /nfs/dbraw/zinc/25/37/07/1358253707.db2.gz HUCKVRCTRIRZLQ-VAMGGRTRSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(CC)CC)C[C@H]32)C1 ZINC001084598833 1358253710 /nfs/dbraw/zinc/25/37/10/1358253710.db2.gz HUCKVRCTRIRZLQ-VAMGGRTRSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(CC)CC)C[C@H]32)C1 ZINC001084598833 1358253715 /nfs/dbraw/zinc/25/37/15/1358253715.db2.gz HUCKVRCTRIRZLQ-VAMGGRTRSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085014676 1358368032 /nfs/dbraw/zinc/36/80/32/1358368032.db2.gz VOBYMNYIWIIUHL-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001085014676 1358368035 /nfs/dbraw/zinc/36/80/35/1358368035.db2.gz VOBYMNYIWIIUHL-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001085014676 1358368039 /nfs/dbraw/zinc/36/80/39/1358368039.db2.gz VOBYMNYIWIIUHL-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085225400 1358437746 /nfs/dbraw/zinc/43/77/46/1358437746.db2.gz UUWJBVRMBBUGRC-XUVXKRRUSA-N 2 1 349.563 3.457 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCC2)C1 ZINC001085306761 1358461466 /nfs/dbraw/zinc/46/14/66/1358461466.db2.gz PIJRDOZVSNOQGF-VAMGGRTRSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCCC2)CC[N@H+]1C ZINC001085310944 1358462352 /nfs/dbraw/zinc/46/23/52/1358462352.db2.gz YQGMIENBFOTWEI-IJXRJRJASA-N 2 1 349.563 3.314 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCCCC2)C1 ZINC001085332522 1358470232 /nfs/dbraw/zinc/47/02/32/1358470232.db2.gz BEPWXVQQULKCAS-DFQSSKMNSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001085687095 1358687548 /nfs/dbraw/zinc/68/75/48/1358687548.db2.gz ICGCLECFZDFCRO-RBUKOAKNSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001085687095 1358687551 /nfs/dbraw/zinc/68/75/51/1358687551.db2.gz ICGCLECFZDFCRO-RBUKOAKNSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001085687095 1358687555 /nfs/dbraw/zinc/68/75/55/1358687555.db2.gz ICGCLECFZDFCRO-RBUKOAKNSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001183869562 1387364008 /nfs/dbraw/zinc/36/40/08/1387364008.db2.gz WJXKIOYOVIRUJS-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001323441094 1387370116 /nfs/dbraw/zinc/37/01/16/1387370116.db2.gz FJPICYIITJPVQT-SFHVURJKSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086133900 1359005297 /nfs/dbraw/zinc/00/52/97/1359005297.db2.gz JPWCVZWCSMDZIG-NZSAHSFTSA-N 2 1 349.563 3.027 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086386931 1359084686 /nfs/dbraw/zinc/08/46/86/1359084686.db2.gz LSRJNHBMKDEUSA-VAMGGRTRSA-N 2 1 349.563 3.029 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086558891 1359145298 /nfs/dbraw/zinc/14/52/98/1359145298.db2.gz ZETLGXRALUUQSF-VAMGGRTRSA-N 2 1 347.547 3.236 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086695230 1359187475 /nfs/dbraw/zinc/18/74/75/1359187475.db2.gz HWQGZCIQLLEICS-ZCNNSNEGSA-N 2 1 347.547 3.234 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC001086715637 1359191005 /nfs/dbraw/zinc/19/10/05/1359191005.db2.gz PWZWULPVOHDNHY-SLFFLAALSA-N 2 1 349.563 3.029 20 0 EGADMP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086926844 1359252243 /nfs/dbraw/zinc/25/22/43/1359252243.db2.gz LTMFMCJJLMQYEM-RBUKOAKNSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927400 1359252738 /nfs/dbraw/zinc/25/27/38/1359252738.db2.gz AMCIBMWDNAMRSH-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001087134990 1359301027 /nfs/dbraw/zinc/30/10/27/1359301027.db2.gz NLUWGPVUDXZVGB-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@H+]1Cc1ccccc1 ZINC001087569782 1359536229 /nfs/dbraw/zinc/53/62/29/1359536229.db2.gz MYKHHLRNVNHGNY-ZCNNSNEGSA-N 2 1 343.515 3.029 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC[NH+]1Cc1ccccc1 ZINC001087569782 1359536233 /nfs/dbraw/zinc/53/62/33/1359536233.db2.gz MYKHHLRNVNHGNY-ZCNNSNEGSA-N 2 1 343.515 3.029 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC[NH+]1Cc1ccccc1 ZINC001087569782 1359536235 /nfs/dbraw/zinc/53/62/35/1359536235.db2.gz MYKHHLRNVNHGNY-ZCNNSNEGSA-N 2 1 343.515 3.029 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC[N@H+]1CC=C(C)C ZINC001087602238 1359550190 /nfs/dbraw/zinc/55/01/90/1359550190.db2.gz FZHSQJXFFKCLSS-CEXWTWQISA-N 2 1 335.536 3.185 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CC=C(C)C ZINC001087602238 1359550192 /nfs/dbraw/zinc/55/01/92/1359550192.db2.gz FZHSQJXFFKCLSS-CEXWTWQISA-N 2 1 335.536 3.185 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC[NH+]1CC=C(C)C ZINC001087602238 1359550196 /nfs/dbraw/zinc/55/01/96/1359550196.db2.gz FZHSQJXFFKCLSS-CEXWTWQISA-N 2 1 335.536 3.185 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1CC1CCCC1 ZINC001087660224 1359576594 /nfs/dbraw/zinc/57/65/94/1359576594.db2.gz ZUVLTVNOUFLLJW-RBUKOAKNSA-N 2 1 340.471 3.107 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@H+]1CC1CCCCCC1 ZINC001087726832 1359614269 /nfs/dbraw/zinc/61/42/69/1359614269.db2.gz UMGSFZCGRDRLFR-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC[NH+]1CC1CCCCCC1 ZINC001087726832 1359614270 /nfs/dbraw/zinc/61/42/70/1359614270.db2.gz UMGSFZCGRDRLFR-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC[NH+]1CC1CCCCCC1 ZINC001087726832 1359614272 /nfs/dbraw/zinc/61/42/72/1359614272.db2.gz UMGSFZCGRDRLFR-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1CCC1=CCCCC1 ZINC001087726225 1359614606 /nfs/dbraw/zinc/61/46/06/1359614606.db2.gz XCRCWZTTZKMQBQ-YSIASYRMSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1CCC1=CCCCC1 ZINC001087726225 1359614607 /nfs/dbraw/zinc/61/46/07/1359614607.db2.gz XCRCWZTTZKMQBQ-YSIASYRMSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1CCC1=CCCCC1 ZINC001087726225 1359614611 /nfs/dbraw/zinc/61/46/11/1359614611.db2.gz XCRCWZTTZKMQBQ-YSIASYRMSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1CC[C@@H](C)F ZINC001087762650 1359632636 /nfs/dbraw/zinc/63/26/36/1359632636.db2.gz FWODOJWCQNISBM-AYOQOUSVSA-N 2 1 349.494 3.079 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCC1=CCCCC1 ZINC001087797063 1359650030 /nfs/dbraw/zinc/65/00/30/1359650030.db2.gz WHTXFSFYBHZCLQ-SLFFLAALSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCC1=CCCCC1 ZINC001087797063 1359650032 /nfs/dbraw/zinc/65/00/32/1359650032.db2.gz WHTXFSFYBHZCLQ-SLFFLAALSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCC1=CCCCC1 ZINC001087797063 1359650035 /nfs/dbraw/zinc/65/00/35/1359650035.db2.gz WHTXFSFYBHZCLQ-SLFFLAALSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@@H+]1CCCC1CCCC1 ZINC001087829908 1359668455 /nfs/dbraw/zinc/66/84/55/1359668455.db2.gz CSOZWDBABOJFAN-RBUKOAKNSA-N 2 1 346.519 3.131 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@H+]1CCCC1CCCC1 ZINC001087829908 1359668459 /nfs/dbraw/zinc/66/84/59/1359668459.db2.gz CSOZWDBABOJFAN-RBUKOAKNSA-N 2 1 346.519 3.131 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1C/C=C\Cl ZINC001087838571 1359672605 /nfs/dbraw/zinc/67/26/05/1359672605.db2.gz LKJNNTACVNDIGB-MGEGMALFSA-N 2 1 349.906 3.083 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1 ZINC001088323389 1359831032 /nfs/dbraw/zinc/83/10/32/1359831032.db2.gz MYNCJDQCDLXECA-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+](CC(=O)N1CCCCC[C@@H]([NH2+]CCC2CCCC2)C1)C1CCC1 ZINC001088327048 1359831739 /nfs/dbraw/zinc/83/17/39/1359831739.db2.gz FCUCOCNWVYLIRS-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CC3CCC3)C2)C1 ZINC001088367370 1359851820 /nfs/dbraw/zinc/85/18/20/1359851820.db2.gz IJYQKAGWQPIUJB-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CC(C)C)C2)C1 ZINC001088367433 1359851830 /nfs/dbraw/zinc/85/18/30/1359851830.db2.gz JXNMUOSVUAGOLR-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1CC1CCC1 ZINC001088569564 1359977012 /nfs/dbraw/zinc/97/70/12/1359977012.db2.gz YXJMKQLVEWFOFQ-POAQFYNOSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1CC1CCC1 ZINC001088569564 1359977014 /nfs/dbraw/zinc/97/70/14/1359977014.db2.gz YXJMKQLVEWFOFQ-POAQFYNOSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1CC1CCC1 ZINC001088569564 1359977016 /nfs/dbraw/zinc/97/70/16/1359977016.db2.gz YXJMKQLVEWFOFQ-POAQFYNOSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CCC(C)(C)C)[C@@H]1C ZINC001088621382 1359993678 /nfs/dbraw/zinc/99/36/78/1359993678.db2.gz BQPQWKVDELDKDN-KURKYZTESA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)[C@@H]1C ZINC001088621382 1359993680 /nfs/dbraw/zinc/99/36/80/1359993680.db2.gz BQPQWKVDELDKDN-KURKYZTESA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H]1C ZINC001088621382 1359993682 /nfs/dbraw/zinc/99/36/82/1359993682.db2.gz BQPQWKVDELDKDN-KURKYZTESA-N 2 1 337.552 3.265 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCCC1CCCC1 ZINC001088898991 1360098845 /nfs/dbraw/zinc/09/88/45/1360098845.db2.gz GGMHUUGJGOIIIJ-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001088951969 1360111781 /nfs/dbraw/zinc/11/17/81/1360111781.db2.gz RAJVLBZJSHLGKX-APWZRJJASA-N 2 1 337.552 3.122 20 0 EGADMP C[N@@H+](CC1CCC1)C[C@@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001089198009 1360245773 /nfs/dbraw/zinc/24/57/73/1360245773.db2.gz YVWWHQYQPSJJGZ-SFHVURJKSA-N 2 1 340.471 3.061 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCC2)CC(C)(C)C1 ZINC001089334959 1360348847 /nfs/dbraw/zinc/34/88/47/1360348847.db2.gz LSAKMKPYQDEMAP-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)CC(C)(C)C1 ZINC001089334959 1360348852 /nfs/dbraw/zinc/34/88/52/1360348852.db2.gz LSAKMKPYQDEMAP-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)CC(C)(C)C1 ZINC001089334959 1360348855 /nfs/dbraw/zinc/34/88/55/1360348855.db2.gz LSAKMKPYQDEMAP-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2=CCCCC2)CC(C)(C)C1 ZINC001089336510 1360350025 /nfs/dbraw/zinc/35/00/25/1360350025.db2.gz UWMFXISACYMELD-OALUTQOASA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)CC(C)(C)C1 ZINC001089336510 1360350027 /nfs/dbraw/zinc/35/00/27/1360350027.db2.gz UWMFXISACYMELD-OALUTQOASA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)CC(C)(C)C1 ZINC001089336510 1360350030 /nfs/dbraw/zinc/35/00/30/1360350030.db2.gz UWMFXISACYMELD-OALUTQOASA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089400653 1360400162 /nfs/dbraw/zinc/40/01/62/1360400162.db2.gz KEJYBYGNARXOQK-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001089400653 1360400164 /nfs/dbraw/zinc/40/01/64/1360400164.db2.gz KEJYBYGNARXOQK-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1 ZINC001089400653 1360400165 /nfs/dbraw/zinc/40/01/65/1360400165.db2.gz KEJYBYGNARXOQK-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCC2)CC(C)(C)C1 ZINC001089420126 1360414548 /nfs/dbraw/zinc/41/45/48/1360414548.db2.gz JXGNUJPHKQXMCE-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)CC(C)(C)C1 ZINC001089420126 1360414550 /nfs/dbraw/zinc/41/45/50/1360414550.db2.gz JXGNUJPHKQXMCE-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)CC(C)(C)C1 ZINC001089420126 1360414553 /nfs/dbraw/zinc/41/45/53/1360414553.db2.gz JXGNUJPHKQXMCE-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CCC3CC3)CC(C)(C)C2)CC[N@H+]1C ZINC001089475282 1360458529 /nfs/dbraw/zinc/45/85/29/1360458529.db2.gz ADGZSACLKOVTFW-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CCC3CC3)CC(C)(C)C2)CC[NH+]1C ZINC001089475282 1360458531 /nfs/dbraw/zinc/45/85/31/1360458531.db2.gz ADGZSACLKOVTFW-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCC3CC3)CC(C)(C)C2)CC[NH+]1C ZINC001089475282 1360458533 /nfs/dbraw/zinc/45/85/33/1360458533.db2.gz ADGZSACLKOVTFW-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492537 1360470048 /nfs/dbraw/zinc/47/00/48/1360470048.db2.gz KDVUBJKGYPRPHA-QZTJIDSGSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492537 1360470050 /nfs/dbraw/zinc/47/00/50/1360470050.db2.gz KDVUBJKGYPRPHA-QZTJIDSGSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492537 1360470051 /nfs/dbraw/zinc/47/00/51/1360470051.db2.gz KDVUBJKGYPRPHA-QZTJIDSGSA-N 2 1 335.536 3.044 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@@H+](CC3CCC3)CC(C)(C)C2)CC1 ZINC001089509844 1360481726 /nfs/dbraw/zinc/48/17/26/1360481726.db2.gz KAFBXKOPPGBRRD-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089539325 1360497431 /nfs/dbraw/zinc/49/74/31/1360497431.db2.gz LBOVVNAUBRNXHI-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC(C)(C)C1 ZINC001089561194 1360508855 /nfs/dbraw/zinc/50/88/55/1360508855.db2.gz NXTQKMIAGLJPSM-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CC(C)(C)C1 ZINC001089616985 1360537521 /nfs/dbraw/zinc/53/75/21/1360537521.db2.gz QQPQIBLMGAPYRB-MSOLQXFVSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CC(C)(C)C1 ZINC001089616985 1360537526 /nfs/dbraw/zinc/53/75/26/1360537526.db2.gz QQPQIBLMGAPYRB-MSOLQXFVSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC(C)(C)C1 ZINC001089616985 1360537531 /nfs/dbraw/zinc/53/75/31/1360537531.db2.gz QQPQIBLMGAPYRB-MSOLQXFVSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089638416 1360551991 /nfs/dbraw/zinc/55/19/91/1360551991.db2.gz BQYWOXBECFICDQ-QZTJIDSGSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001089638416 1360551993 /nfs/dbraw/zinc/55/19/93/1360551993.db2.gz BQYWOXBECFICDQ-QZTJIDSGSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001089638416 1360551997 /nfs/dbraw/zinc/55/19/97/1360551997.db2.gz BQYWOXBECFICDQ-QZTJIDSGSA-N 2 1 337.552 3.122 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089657117 1360569228 /nfs/dbraw/zinc/56/92/28/1360569228.db2.gz SHTKCDIDYWPVQR-SFHVURJKSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CC1 ZINC001089663021 1360573360 /nfs/dbraw/zinc/57/33/60/1360573360.db2.gz HUMICGCKZFTKOC-RBUKOAKNSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001089663021 1360573362 /nfs/dbraw/zinc/57/33/62/1360573362.db2.gz HUMICGCKZFTKOC-RBUKOAKNSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001089663021 1360573363 /nfs/dbraw/zinc/57/33/63/1360573363.db2.gz HUMICGCKZFTKOC-RBUKOAKNSA-N 2 1 349.563 3.124 20 0 EGADMP O=C(NCC1CC([NH2+]CCC2CC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001091199593 1361005186 /nfs/dbraw/zinc/00/51/86/1361005186.db2.gz QYCSBMCYVCFCOC-QLOJAFMTSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737895 1361202042 /nfs/dbraw/zinc/20/20/42/1361202042.db2.gz QMLDYMZYSZORCE-SBHAEUEKSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737895 1361202050 /nfs/dbraw/zinc/20/20/50/1361202050.db2.gz QMLDYMZYSZORCE-SBHAEUEKSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737895 1361202051 /nfs/dbraw/zinc/20/20/51/1361202051.db2.gz QMLDYMZYSZORCE-SBHAEUEKSA-N 2 1 349.563 3.076 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCCC[C@H]1[NH+](C)C)CC3 ZINC001323954252 1387500121 /nfs/dbraw/zinc/50/01/21/1387500121.db2.gz YBRXGAJREASRTO-PUCZYUMASA-N 2 1 341.499 3.496 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302042 1361359490 /nfs/dbraw/zinc/35/94/90/1361359490.db2.gz QKXPPDHZVOZXTG-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001092302042 1361359493 /nfs/dbraw/zinc/35/94/93/1361359493.db2.gz QKXPPDHZVOZXTG-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@]2(C)C1 ZINC001092302042 1361359496 /nfs/dbraw/zinc/35/94/96/1361359496.db2.gz QKXPPDHZVOZXTG-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC([C@@H]2[N@H+](C(C)C)CC23CCC3)CC1)[NH+](C)C ZINC001093378019 1361588610 /nfs/dbraw/zinc/58/86/10/1361588610.db2.gz IQPCEOZRONVGDI-MOPGFXCFSA-N 2 1 349.563 3.074 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCC1CCC1)CC2 ZINC001094379827 1361780200 /nfs/dbraw/zinc/78/02/00/1361780200.db2.gz CJKPTZCKOMEOQI-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCC1CCC1)CC2 ZINC001094379827 1361780202 /nfs/dbraw/zinc/78/02/02/1361780202.db2.gz CJKPTZCKOMEOQI-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC1CCC1)CC2 ZINC001094379827 1361780204 /nfs/dbraw/zinc/78/02/04/1361780204.db2.gz CJKPTZCKOMEOQI-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCC1)CC2 ZINC001094430205 1361799473 /nfs/dbraw/zinc/79/94/73/1361799473.db2.gz HLIWAUMZTKOZAU-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2 ZINC001094430205 1361799475 /nfs/dbraw/zinc/79/94/75/1361799475.db2.gz HLIWAUMZTKOZAU-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2 ZINC001094430205 1361799477 /nfs/dbraw/zinc/79/94/77/1361799477.db2.gz HLIWAUMZTKOZAU-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)C)CC2 ZINC001094585066 1361870977 /nfs/dbraw/zinc/87/09/77/1361870977.db2.gz LVCXWJQQAGVMOT-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)C)CC2 ZINC001094585066 1361870981 /nfs/dbraw/zinc/87/09/81/1361870981.db2.gz LVCXWJQQAGVMOT-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)C)CC2 ZINC001094585066 1361870985 /nfs/dbraw/zinc/87/09/85/1361870985.db2.gz LVCXWJQQAGVMOT-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC001324102422 1387542915 /nfs/dbraw/zinc/54/29/15/1387542915.db2.gz WZCDSZQFBBSVFV-QRQLOZEOSA-N 2 1 331.504 3.059 20 0 EGADMP CC(C)[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184891456 1387556048 /nfs/dbraw/zinc/55/60/48/1387556048.db2.gz GPGDFBFBRLBDTH-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812813 1362242342 /nfs/dbraw/zinc/24/23/42/1362242342.db2.gz RDVGNQQDAYWFCJ-YDZRNGNQSA-N 2 1 347.547 3.019 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001096604753 1362594075 /nfs/dbraw/zinc/59/40/75/1362594075.db2.gz PASGJOJRXVTHGT-XCLNPWKQSA-N 2 1 343.515 3.129 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096605434 1362594303 /nfs/dbraw/zinc/59/43/03/1362594303.db2.gz OWGCYXGXFFXNHY-RKOGWWSCSA-N 2 1 343.515 3.129 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCCC2)CC[N@H+]1C ZINC001097101496 1362843118 /nfs/dbraw/zinc/84/31/18/1362843118.db2.gz RNONTCIWPYPRRZ-RUGGUXRKSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCCC2)CC[NH+]1C ZINC001097101496 1362843120 /nfs/dbraw/zinc/84/31/20/1362843120.db2.gz RNONTCIWPYPRRZ-RUGGUXRKSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCCC2)CC[NH+]1C ZINC001097101496 1362843122 /nfs/dbraw/zinc/84/31/22/1362843122.db2.gz RNONTCIWPYPRRZ-RUGGUXRKSA-N 2 1 347.547 3.019 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001097177572 1362874546 /nfs/dbraw/zinc/87/45/46/1362874546.db2.gz UUDQCBYSJJFVBR-ZRNYENFQSA-N 2 1 345.531 3.083 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001097177572 1362874549 /nfs/dbraw/zinc/87/45/49/1362874549.db2.gz UUDQCBYSJJFVBR-ZRNYENFQSA-N 2 1 345.531 3.083 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001097177572 1362874554 /nfs/dbraw/zinc/87/45/54/1362874554.db2.gz UUDQCBYSJJFVBR-ZRNYENFQSA-N 2 1 345.531 3.083 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001097176961 1362875279 /nfs/dbraw/zinc/87/52/79/1362875279.db2.gz CZXAVPZZNPBJCL-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001097176961 1362875280 /nfs/dbraw/zinc/87/52/80/1362875280.db2.gz CZXAVPZZNPBJCL-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001097176961 1362875281 /nfs/dbraw/zinc/87/52/81/1362875281.db2.gz CZXAVPZZNPBJCL-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001097406407 1362975246 /nfs/dbraw/zinc/97/52/46/1362975246.db2.gz YKYKXAVXMGGUBM-YSTOQKLRSA-N 2 1 349.563 3.265 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001097406407 1362975250 /nfs/dbraw/zinc/97/52/50/1362975250.db2.gz YKYKXAVXMGGUBM-YSTOQKLRSA-N 2 1 349.563 3.265 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001097406407 1362975256 /nfs/dbraw/zinc/97/52/56/1362975256.db2.gz YKYKXAVXMGGUBM-YSTOQKLRSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001097444765 1362993361 /nfs/dbraw/zinc/99/33/61/1362993361.db2.gz GSXDPTNLMPMYSK-NXHRZFHOSA-N 2 1 340.471 3.106 20 0 EGADMP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001097734765 1363110897 /nfs/dbraw/zinc/11/08/97/1363110897.db2.gz VHUXPKCSGZUYRA-KURKYZTESA-N 2 1 347.503 3.113 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001097734765 1363110900 /nfs/dbraw/zinc/11/09/00/1363110900.db2.gz VHUXPKCSGZUYRA-KURKYZTESA-N 2 1 347.503 3.113 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001185090862 1387616980 /nfs/dbraw/zinc/61/69/80/1387616980.db2.gz PFWPYEPLKGUYLW-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1)C1CCCC1 ZINC001098826691 1363484199 /nfs/dbraw/zinc/48/41/99/1363484199.db2.gz NLODKOXSNLAYPD-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC1CCC1)C2 ZINC001099026971 1363582535 /nfs/dbraw/zinc/58/25/35/1363582535.db2.gz ISXGFEGCMQORAL-CUWPLCDZSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC1CCC1)C2 ZINC001099026971 1363582538 /nfs/dbraw/zinc/58/25/38/1363582538.db2.gz ISXGFEGCMQORAL-CUWPLCDZSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC1CCC1)C2 ZINC001099026971 1363582541 /nfs/dbraw/zinc/58/25/41/1363582541.db2.gz ISXGFEGCMQORAL-CUWPLCDZSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001099079341 1363611060 /nfs/dbraw/zinc/61/10/60/1363611060.db2.gz OYDMVNXHDKDURU-FPOVZHCZSA-N 2 1 343.515 3.133 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001099106184 1363625268 /nfs/dbraw/zinc/62/52/68/1363625268.db2.gz CJXPYQMJKYAVCV-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001099106184 1363625271 /nfs/dbraw/zinc/62/52/71/1363625271.db2.gz CJXPYQMJKYAVCV-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001099106184 1363625273 /nfs/dbraw/zinc/62/52/73/1363625273.db2.gz CJXPYQMJKYAVCV-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001099153726 1363659373 /nfs/dbraw/zinc/65/93/73/1363659373.db2.gz OXPRKACEEXLDRE-OALUTQOASA-N 2 1 349.563 3.124 20 0 EGADMP CCC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001099170163 1363668441 /nfs/dbraw/zinc/66/84/41/1363668441.db2.gz DNCQIQMXUIMFHS-YZPMEYCISA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001099170163 1363668448 /nfs/dbraw/zinc/66/84/48/1363668448.db2.gz DNCQIQMXUIMFHS-YZPMEYCISA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001099170163 1363668455 /nfs/dbraw/zinc/66/84/55/1363668455.db2.gz DNCQIQMXUIMFHS-YZPMEYCISA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099241316 1363710025 /nfs/dbraw/zinc/71/00/25/1363710025.db2.gz YLXIFUPEWFRFHQ-VCVRMXLYSA-N 2 1 337.552 3.290 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310428 1363743384 /nfs/dbraw/zinc/74/33/84/1363743384.db2.gz LXAOOJBYZFHXIT-GOSISDBHSA-N 2 1 337.552 3.291 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001099321299 1363749132 /nfs/dbraw/zinc/74/91/32/1363749132.db2.gz TTZVENYVLZHKDA-GOSISDBHSA-N 2 1 337.552 3.291 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC=C(C)C ZINC001099321299 1363749134 /nfs/dbraw/zinc/74/91/34/1363749134.db2.gz TTZVENYVLZHKDA-GOSISDBHSA-N 2 1 337.552 3.291 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC=C(C)C ZINC001099321299 1363749136 /nfs/dbraw/zinc/74/91/36/1363749136.db2.gz TTZVENYVLZHKDA-GOSISDBHSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340756 1363760263 /nfs/dbraw/zinc/76/02/63/1363760263.db2.gz YJEPQOWBRAFFJM-HPFMTEOYSA-N 2 1 346.519 3.155 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340756 1363760265 /nfs/dbraw/zinc/76/02/65/1363760265.db2.gz YJEPQOWBRAFFJM-HPFMTEOYSA-N 2 1 346.519 3.155 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099355248 1363769310 /nfs/dbraw/zinc/76/93/10/1363769310.db2.gz ZIBLJPUBHPUONE-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001100333178 1364082220 /nfs/dbraw/zinc/08/22/20/1364082220.db2.gz ZBHZKHGZTLLRMY-JLAWEPINSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)CCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001100405852 1364103982 /nfs/dbraw/zinc/10/39/82/1364103982.db2.gz PKLFSYNTOZVYJU-AFMYVXGZSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)CC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001100536379 1364150554 /nfs/dbraw/zinc/15/05/54/1364150554.db2.gz WZDCIEUNGLFXDW-UHFFFAOYSA-N 2 1 337.552 3.172 20 0 EGADMP C[N@@H+](CCC(=O)NCC1CC([NH2+]CC2CCCC2)C1)C1CCCCC1 ZINC001100536065 1364150926 /nfs/dbraw/zinc/15/09/26/1364150926.db2.gz IKOCCIHAXWPNQC-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NCC2CC([NH2+]CCC3=CCCCC3)C2)C1 ZINC001100680907 1364215631 /nfs/dbraw/zinc/21/56/31/1364215631.db2.gz KYGXSMUAGUYFEM-UHFFFAOYSA-N 2 1 347.547 3.093 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101354160 1364523931 /nfs/dbraw/zinc/52/39/31/1364523931.db2.gz UDPAJDLTVKJOIU-WATYHMNJSA-N 2 1 349.563 3.099 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2C[N@@H+](CC3CC3)C[C@@]2(C)C1 ZINC001101428005 1364559029 /nfs/dbraw/zinc/55/90/29/1364559029.db2.gz ZYORSXVINBAFKR-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101441364 1364565600 /nfs/dbraw/zinc/56/56/00/1364565600.db2.gz RFFYEFSWFKWJTA-QUCCMNQESA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101441364 1364565601 /nfs/dbraw/zinc/56/56/01/1364565601.db2.gz RFFYEFSWFKWJTA-QUCCMNQESA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@]2(C)C1 ZINC001101441364 1364565603 /nfs/dbraw/zinc/56/56/03/1364565603.db2.gz RFFYEFSWFKWJTA-QUCCMNQESA-N 2 1 337.552 3.079 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101487266 1364579405 /nfs/dbraw/zinc/57/94/05/1364579405.db2.gz VKTKQYAJJLFGAY-SBHAEUEKSA-N 2 1 349.563 3.079 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001101963173 1364792578 /nfs/dbraw/zinc/79/25/78/1364792578.db2.gz OYTKIWOQDNQRBR-DSTKZSRVSA-N 2 1 349.563 3.290 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001101963173 1364792580 /nfs/dbraw/zinc/79/25/80/1364792580.db2.gz OYTKIWOQDNQRBR-DSTKZSRVSA-N 2 1 349.563 3.290 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001101963173 1364792583 /nfs/dbraw/zinc/79/25/83/1364792583.db2.gz OYTKIWOQDNQRBR-DSTKZSRVSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102430357 1365050500 /nfs/dbraw/zinc/05/05/00/1365050500.db2.gz NPYHHDPGAAECRA-UEIMZRGPSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001324648873 1387717346 /nfs/dbraw/zinc/71/73/46/1387717346.db2.gz XEKMZXQRJFZJMF-XLIONFOSSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001324648873 1387717348 /nfs/dbraw/zinc/71/73/48/1387717348.db2.gz XEKMZXQRJFZJMF-XLIONFOSSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001324648873 1387717349 /nfs/dbraw/zinc/71/73/49/1387717349.db2.gz XEKMZXQRJFZJMF-XLIONFOSSA-N 2 1 339.568 3.227 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001185446462 1387718974 /nfs/dbraw/zinc/71/89/74/1387718974.db2.gz MKXGVFZPCDKIRB-IDPBEMBBSA-N 2 1 337.552 3.149 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102613380 1365138178 /nfs/dbraw/zinc/13/81/78/1365138178.db2.gz YSDPPKMQPWPURW-TZFVZSICSA-N 2 1 349.563 3.293 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103085164 1365373057 /nfs/dbraw/zinc/37/30/57/1365373057.db2.gz IRSSJBRHWPNTRA-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103146621 1365409208 /nfs/dbraw/zinc/40/92/08/1365409208.db2.gz QDQMXJBJTDSQKZ-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001103146621 1365409212 /nfs/dbraw/zinc/40/92/12/1365409212.db2.gz QDQMXJBJTDSQKZ-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001103146621 1365409215 /nfs/dbraw/zinc/40/92/15/1365409215.db2.gz QDQMXJBJTDSQKZ-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001103168829 1365418546 /nfs/dbraw/zinc/41/85/46/1365418546.db2.gz ZPCJGCIKVCMLOP-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001103168829 1365418548 /nfs/dbraw/zinc/41/85/48/1365418548.db2.gz ZPCJGCIKVCMLOP-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001103168829 1365418550 /nfs/dbraw/zinc/41/85/50/1365418550.db2.gz ZPCJGCIKVCMLOP-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC1=CCCCC1 ZINC001104676744 1366127144 /nfs/dbraw/zinc/12/71/44/1366127144.db2.gz WAHMOKPEWFYTQP-WSTZPKSXSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104909082 1366219638 /nfs/dbraw/zinc/21/96/38/1366219638.db2.gz WOCWKOGFXJJQCC-IVCWSTDESA-N 2 1 349.563 3.149 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(CC)CC)C1 ZINC001104932635 1366229584 /nfs/dbraw/zinc/22/95/84/1366229584.db2.gz FABXYGIUGFGOKL-IEBWSBKVSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001104938056 1366231647 /nfs/dbraw/zinc/23/16/47/1366231647.db2.gz NTFBEILCKCANSM-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001105393567 1366442050 /nfs/dbraw/zinc/44/20/50/1366442050.db2.gz BDTYOJSJVNGKHV-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001105393567 1366442055 /nfs/dbraw/zinc/44/20/55/1366442055.db2.gz BDTYOJSJVNGKHV-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001105393567 1366442057 /nfs/dbraw/zinc/44/20/57/1366442057.db2.gz BDTYOJSJVNGKHV-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CCCC1CCCC1 ZINC001106665170 1366768713 /nfs/dbraw/zinc/76/87/13/1366768713.db2.gz KIBUZNWSICUVEX-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)c2ccccc2C)[C@H](C)C1 ZINC001106840168 1366813400 /nfs/dbraw/zinc/81/34/00/1366813400.db2.gz BIMASOPBRRJBAW-GUDVDZBRSA-N 2 1 345.531 3.082 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2)[NH+](C)C ZINC001107444396 1366965516 /nfs/dbraw/zinc/96/55/16/1366965516.db2.gz FRDDMIGOQGOBRT-SVFBPWRDSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109273099 1367036102 /nfs/dbraw/zinc/03/61/02/1367036102.db2.gz WRUNOQRLLPJZPF-YDZRNGNQSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001109273099 1367036107 /nfs/dbraw/zinc/03/61/07/1367036107.db2.gz WRUNOQRLLPJZPF-YDZRNGNQSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001109273099 1367036114 /nfs/dbraw/zinc/03/61/14/1367036114.db2.gz WRUNOQRLLPJZPF-YDZRNGNQSA-N 2 1 349.563 3.407 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001109290218 1367040278 /nfs/dbraw/zinc/04/02/78/1367040278.db2.gz ZJGBFPNDEXLWPN-ITVKQWQRSA-N 2 1 347.547 3.329 20 0 EGADMP C[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2)[NH+]1CCCCCC1 ZINC001107567385 1367049026 /nfs/dbraw/zinc/04/90/26/1367049026.db2.gz UDWXEZWNJZXECR-YFVAEKQCSA-N 2 1 347.547 3.022 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632040 1367084489 /nfs/dbraw/zinc/08/44/89/1367084489.db2.gz NJLANNDGWNZHEJ-CSDOGUONSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107632040 1367084491 /nfs/dbraw/zinc/08/44/91/1367084491.db2.gz NJLANNDGWNZHEJ-CSDOGUONSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107632040 1367084497 /nfs/dbraw/zinc/08/44/97/1367084497.db2.gz NJLANNDGWNZHEJ-CSDOGUONSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1)[NH+](C)C ZINC001109446134 1367125755 /nfs/dbraw/zinc/12/57/55/1367125755.db2.gz LXGYQXGRZVNFII-HCXYKTFWSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001109653301 1367265769 /nfs/dbraw/zinc/26/57/69/1367265769.db2.gz SBAZWMIACWDWHG-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1)[NH+](C)C ZINC001109733387 1367295127 /nfs/dbraw/zinc/29/51/27/1367295127.db2.gz LXGYQXGRZVNFII-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP C[N@@H+](CCC(C)(C)C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190655570 1367318551 /nfs/dbraw/zinc/31/85/51/1367318551.db2.gz QJINVSDNPAXHTL-RBUKOAKNSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](CCC(C)(C)C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190655570 1367318558 /nfs/dbraw/zinc/31/85/58/1367318558.db2.gz QJINVSDNPAXHTL-RBUKOAKNSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](CCC(C)(C)C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190655570 1367318563 /nfs/dbraw/zinc/31/85/63/1367318563.db2.gz QJINVSDNPAXHTL-RBUKOAKNSA-N 2 1 349.563 3.362 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001191030140 1367406187 /nfs/dbraw/zinc/40/61/87/1367406187.db2.gz QKTCJKOHKRXDRL-INIZCTEOSA-N 2 1 325.541 3.076 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001191030140 1367406190 /nfs/dbraw/zinc/40/61/90/1367406190.db2.gz QKTCJKOHKRXDRL-INIZCTEOSA-N 2 1 325.541 3.076 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001191030140 1367406192 /nfs/dbraw/zinc/40/61/92/1367406192.db2.gz QKTCJKOHKRXDRL-INIZCTEOSA-N 2 1 325.541 3.076 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191560567 1367527854 /nfs/dbraw/zinc/52/78/54/1367527854.db2.gz GSKRPXXSMIMNKC-GOSISDBHSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CCC)C2 ZINC001108804312 1367606600 /nfs/dbraw/zinc/60/66/00/1367606600.db2.gz NTMQRPHABGNXII-FHWLQOOXSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001191989266 1367658932 /nfs/dbraw/zinc/65/89/32/1367658932.db2.gz RSCTVSGLUKSYEQ-SFHVURJKSA-N 2 1 347.503 3.068 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192394871 1367772384 /nfs/dbraw/zinc/77/23/84/1367772384.db2.gz FYQWUOZMDABVRA-ZWKOTPCHSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@H](C)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192394871 1367772390 /nfs/dbraw/zinc/77/23/90/1367772390.db2.gz FYQWUOZMDABVRA-ZWKOTPCHSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@H](C)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192394871 1367772396 /nfs/dbraw/zinc/77/23/96/1367772396.db2.gz FYQWUOZMDABVRA-ZWKOTPCHSA-N 2 1 339.568 3.179 20 0 EGADMP C[NH+](CCCC1CCC1)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192407403 1367774936 /nfs/dbraw/zinc/77/49/36/1367774936.db2.gz VSJQXLPAPWQUGW-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1)CC(C)(C)C ZINC001192407403 1367774941 /nfs/dbraw/zinc/77/49/41/1367774941.db2.gz VSJQXLPAPWQUGW-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1)CC(C)(C)C ZINC001192407403 1367774947 /nfs/dbraw/zinc/77/49/47/1367774947.db2.gz VSJQXLPAPWQUGW-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192642934 1367842094 /nfs/dbraw/zinc/84/20/94/1367842094.db2.gz YFIYVSLIBCYUSF-GOSISDBHSA-N 2 1 348.535 3.366 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192642934 1367842098 /nfs/dbraw/zinc/84/20/98/1367842098.db2.gz YFIYVSLIBCYUSF-GOSISDBHSA-N 2 1 348.535 3.366 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192657056 1367843974 /nfs/dbraw/zinc/84/39/74/1367843974.db2.gz XIXXQFDBLDQBEG-CQQBRXBZSA-N 2 1 335.536 3.140 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192845428 1367886588 /nfs/dbraw/zinc/88/65/88/1367886588.db2.gz ICBJIVAJQCJURE-FQEVSTJZSA-N 2 1 345.531 3.475 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)C[C@H](C)CC)C1 ZINC001192904496 1367900211 /nfs/dbraw/zinc/90/02/11/1367900211.db2.gz AGGKDQRLQSHFTA-QZTJIDSGSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)C[C@H](C)CC)C1 ZINC001192904496 1367900214 /nfs/dbraw/zinc/90/02/14/1367900214.db2.gz AGGKDQRLQSHFTA-QZTJIDSGSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@H](C)CC)C1 ZINC001192904496 1367900218 /nfs/dbraw/zinc/90/02/18/1367900218.db2.gz AGGKDQRLQSHFTA-QZTJIDSGSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CCCC(C)C)C1 ZINC001192905875 1367901003 /nfs/dbraw/zinc/90/10/03/1367901003.db2.gz GZGHXWHSINIHLV-LJQANCHMSA-N 2 1 339.568 3.467 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CCCC(C)C)C1 ZINC001192905875 1367901005 /nfs/dbraw/zinc/90/10/05/1367901005.db2.gz GZGHXWHSINIHLV-LJQANCHMSA-N 2 1 339.568 3.467 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)C)C1 ZINC001192905875 1367901006 /nfs/dbraw/zinc/90/10/06/1367901006.db2.gz GZGHXWHSINIHLV-LJQANCHMSA-N 2 1 339.568 3.467 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917711 1367904313 /nfs/dbraw/zinc/90/43/13/1367904313.db2.gz RCRKTOIDBKHPEN-RTBURBONSA-N 2 1 339.568 3.322 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1)C1CC1 ZINC001110666443 1367906039 /nfs/dbraw/zinc/90/60/39/1367906039.db2.gz LMETVXWEDQBEQY-YSTOQKLRSA-N 2 1 347.547 3.019 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@@H+](C)CC(C)C)C1 ZINC001193425138 1368027339 /nfs/dbraw/zinc/02/73/39/1368027339.db2.gz TZBXEMVTGUJWQF-SFHVURJKSA-N 2 1 325.541 3.077 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@@H]([NH+](C)CC=C(C)C)C1)c1ccccc1 ZINC001193423869 1368027463 /nfs/dbraw/zinc/02/74/63/1368027463.db2.gz HDUVBRNMBWSPRU-WOJBJXKFSA-N 2 1 343.515 3.178 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC=C(C)C)C1)c1ccccc1 ZINC001193423869 1368027469 /nfs/dbraw/zinc/02/74/69/1368027469.db2.gz HDUVBRNMBWSPRU-WOJBJXKFSA-N 2 1 343.515 3.178 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC=C(C)C)C1)c1ccccc1 ZINC001193423869 1368027473 /nfs/dbraw/zinc/02/74/73/1368027473.db2.gz HDUVBRNMBWSPRU-WOJBJXKFSA-N 2 1 343.515 3.178 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193561488 1368062549 /nfs/dbraw/zinc/06/25/49/1368062549.db2.gz ZODXHFHCYHIHSL-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2CC)C1 ZINC001193601337 1368072317 /nfs/dbraw/zinc/07/23/17/1368072317.db2.gz ZNDCFPKSJXRQQG-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2CC)C1 ZINC001193601337 1368072320 /nfs/dbraw/zinc/07/23/20/1368072320.db2.gz ZNDCFPKSJXRQQG-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2CC)C1 ZINC001193601337 1368072324 /nfs/dbraw/zinc/07/23/24/1368072324.db2.gz ZNDCFPKSJXRQQG-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2cc(C)ccc2C)C1 ZINC001193639533 1368081806 /nfs/dbraw/zinc/08/18/06/1368081806.db2.gz AKUKSVHSQSWTFC-OALUTQOASA-N 2 1 345.531 3.239 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2cc(C)ccc2C)C1 ZINC001193639533 1368081812 /nfs/dbraw/zinc/08/18/12/1368081812.db2.gz AKUKSVHSQSWTFC-OALUTQOASA-N 2 1 345.531 3.239 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2cc(C)ccc2C)C1 ZINC001193639533 1368081819 /nfs/dbraw/zinc/08/18/19/1368081819.db2.gz AKUKSVHSQSWTFC-OALUTQOASA-N 2 1 345.531 3.239 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001110959590 1368125305 /nfs/dbraw/zinc/12/53/05/1368125305.db2.gz SBAZWMIACWDWHG-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099555 1368158536 /nfs/dbraw/zinc/15/85/36/1368158536.db2.gz MHKDBEVTDDWLMO-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081534 1368179012 /nfs/dbraw/zinc/17/90/12/1368179012.db2.gz RDPDYOWLIQWCLU-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226902 1368212297 /nfs/dbraw/zinc/21/22/97/1368212297.db2.gz HURWGMPQZOVQPA-SFFCAUCYSA-N 2 1 335.536 3.142 20 0 EGADMP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194448345 1368264812 /nfs/dbraw/zinc/26/48/12/1368264812.db2.gz CCCOBCVFQNWEQG-FQEVSTJZSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194448345 1368264813 /nfs/dbraw/zinc/26/48/13/1368264813.db2.gz CCCOBCVFQNWEQG-FQEVSTJZSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)CCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194448345 1368264816 /nfs/dbraw/zinc/26/48/16/1368264816.db2.gz CCCOBCVFQNWEQG-FQEVSTJZSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)CCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194448345 1368264817 /nfs/dbraw/zinc/26/48/17/1368264817.db2.gz CCCOBCVFQNWEQG-FQEVSTJZSA-N 2 1 345.531 3.087 20 0 EGADMP CC1(C)CC(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCCCC2)C3)C1 ZINC001111459513 1368309964 /nfs/dbraw/zinc/30/99/64/1368309964.db2.gz BDNNVYZKOMRZCO-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454043 1368310001 /nfs/dbraw/zinc/31/00/01/1368310001.db2.gz IKUYAOGIJWAXSQ-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494626 1368321592 /nfs/dbraw/zinc/32/15/92/1368321592.db2.gz YXGMNTJKWAXJNK-MANSERQUSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001111754327 1368444703 /nfs/dbraw/zinc/44/47/03/1368444703.db2.gz ZPCFZJOYELITRY-HUUJSLGLSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001111754327 1368444707 /nfs/dbraw/zinc/44/47/07/1368444707.db2.gz ZPCFZJOYELITRY-HUUJSLGLSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001111754327 1368444710 /nfs/dbraw/zinc/44/47/10/1368444710.db2.gz ZPCFZJOYELITRY-HUUJSLGLSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782341 1368459835 /nfs/dbraw/zinc/45/98/35/1368459835.db2.gz FBPWVNUDFLZPFN-XQMISQMHSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001111782341 1368459840 /nfs/dbraw/zinc/45/98/40/1368459840.db2.gz FBPWVNUDFLZPFN-XQMISQMHSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001111782341 1368459844 /nfs/dbraw/zinc/45/98/44/1368459844.db2.gz FBPWVNUDFLZPFN-XQMISQMHSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001111892022 1368536434 /nfs/dbraw/zinc/53/64/34/1368536434.db2.gz JLOIHFMLBCGJHO-PXNSSMCTSA-N 2 1 346.519 3.167 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001111892022 1368536438 /nfs/dbraw/zinc/53/64/38/1368536438.db2.gz JLOIHFMLBCGJHO-PXNSSMCTSA-N 2 1 346.519 3.167 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001196060510 1368542696 /nfs/dbraw/zinc/54/26/96/1368542696.db2.gz YMCGQJGJLHDILI-RURPWVQCSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001196060510 1368542697 /nfs/dbraw/zinc/54/26/97/1368542697.db2.gz YMCGQJGJLHDILI-RURPWVQCSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001196060510 1368542698 /nfs/dbraw/zinc/54/26/98/1368542698.db2.gz YMCGQJGJLHDILI-RURPWVQCSA-N 2 1 335.536 3.142 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC(C)(C)C)C2 ZINC001111909825 1368550490 /nfs/dbraw/zinc/55/04/90/1368550490.db2.gz KYISIIICEJMXHB-PXNSSMCTSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC)C2 ZINC001111935408 1368566776 /nfs/dbraw/zinc/56/67/76/1368566776.db2.gz LBYBFPGMRAXVCL-ICSRJNTNSA-N 2 1 337.552 3.269 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCCC(C)(C)C)C3)C1 ZINC001111938317 1368567916 /nfs/dbraw/zinc/56/79/16/1368567916.db2.gz WCJMZRQBKZJKIS-WFXMLNOXSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCCC(C)(C)C)C3)C1 ZINC001111938317 1368567918 /nfs/dbraw/zinc/56/79/18/1368567918.db2.gz WCJMZRQBKZJKIS-WFXMLNOXSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCC(C)(C)C)C3)C1 ZINC001111938317 1368567920 /nfs/dbraw/zinc/56/79/20/1368567920.db2.gz WCJMZRQBKZJKIS-WFXMLNOXSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC001196243103 1368574238 /nfs/dbraw/zinc/57/42/38/1368574238.db2.gz TZLKJSLNTHCIRY-GOSISDBHSA-N 2 1 334.508 3.195 20 0 EGADMP CC1CC(C[N@H+]2CCCN(C(=O)CC[NH+](C)C3CCCCC3)CC2)C1 ZINC001196642029 1368654440 /nfs/dbraw/zinc/65/44/40/1368654440.db2.gz XLVJVWGKHQHGTH-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC1CC(C[NH+]2CCCN(C(=O)CC[N@H+](C)C3CCCCC3)CC2)C1 ZINC001196642029 1368654442 /nfs/dbraw/zinc/65/44/42/1368654442.db2.gz XLVJVWGKHQHGTH-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC1CC(C[NH+]2CCCN(C(=O)CC[N@@H+](C)C3CCCCC3)CC2)C1 ZINC001196642029 1368654445 /nfs/dbraw/zinc/65/44/45/1368654445.db2.gz XLVJVWGKHQHGTH-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CCC[N@@H+](CCC3CCCC3)CC2)CCCC1 ZINC001196655831 1368657344 /nfs/dbraw/zinc/65/73/44/1368657344.db2.gz KFTZPWOJZOJKDX-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@@H](C(=O)N1CCC[N@@H+](C[C@@H](C)CC(C)C)CC1)[NH+](CC)CC ZINC001197141329 1368753621 /nfs/dbraw/zinc/75/36/21/1368753621.db2.gz GWXNVOVEERPSRL-OALUTQOASA-N 2 1 339.568 3.323 20 0 EGADMP Cc1nccn1CCCC(=O)N1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001197454241 1368818365 /nfs/dbraw/zinc/81/83/65/1368818365.db2.gz PDBNOSSJBCHEFF-UHFFFAOYSA-N 2 1 344.503 3.006 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001197454241 1368818368 /nfs/dbraw/zinc/81/83/68/1368818368.db2.gz PDBNOSSJBCHEFF-UHFFFAOYSA-N 2 1 344.503 3.006 20 0 EGADMP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001112410831 1368830446 /nfs/dbraw/zinc/83/04/46/1368830446.db2.gz RHXOHBAFKVBJHK-ZJOUEHCJSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001112410832 1368830594 /nfs/dbraw/zinc/83/05/94/1368830594.db2.gz RHXOHBAFKVBJHK-ZVDOUQERSA-N 2 1 349.563 3.269 20 0 EGADMP CCc1ccccc1C[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197885386 1368919495 /nfs/dbraw/zinc/91/94/95/1368919495.db2.gz DRHXTJFSAQFONP-UHFFFAOYSA-N 2 1 345.531 3.015 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001198136493 1368966421 /nfs/dbraw/zinc/96/64/21/1368966421.db2.gz SLQAAEJKLLKJGV-UHFFFAOYSA-N 2 1 349.563 3.367 20 0 EGADMP CC/C=C/CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001112855279 1369049149 /nfs/dbraw/zinc/04/91/49/1369049149.db2.gz QHPTXJFXKRNCLL-GNAXCBTBSA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC001113035060 1369155299 /nfs/dbraw/zinc/15/52/99/1369155299.db2.gz HRUYWEUGXXDDBM-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001113050850 1369166939 /nfs/dbraw/zinc/16/69/39/1369166939.db2.gz XGJRHUWUUNZODK-UHFFFAOYSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCCC[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001113050850 1369166943 /nfs/dbraw/zinc/16/69/43/1369166943.db2.gz XGJRHUWUUNZODK-UHFFFAOYSA-N 2 1 337.552 3.364 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CC[NH+](CC3=CCCCC3)CC2)CCCCC1 ZINC001113154774 1369231898 /nfs/dbraw/zinc/23/18/98/1369231898.db2.gz ATYJRTUNIQPEJJ-UHFFFAOYSA-N 2 1 347.547 3.143 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001113160385 1369235127 /nfs/dbraw/zinc/23/51/27/1369235127.db2.gz AAHWLSKMFSTXDJ-SFHVURJKSA-N 2 1 343.515 3.156 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001200507741 1369382552 /nfs/dbraw/zinc/38/25/52/1369382552.db2.gz QECHICHYMXFBCJ-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053809 1369472903 /nfs/dbraw/zinc/47/29/03/1369472903.db2.gz YFERDYJJUGBUEU-FUHWJXTLSA-N 2 1 346.519 3.023 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC001113529544 1369479392 /nfs/dbraw/zinc/47/93/92/1369479392.db2.gz VIYOTTCCEVBTKM-FQEVSTJZSA-N 2 1 343.515 3.014 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC001113529544 1369479394 /nfs/dbraw/zinc/47/93/94/1369479394.db2.gz VIYOTTCCEVBTKM-FQEVSTJZSA-N 2 1 343.515 3.014 20 0 EGADMP c1cc(C[N@@H+]2CCOC3(CC[NH+](C[C@H]4CC=CCC4)CC3)C2)co1 ZINC001201412215 1369540054 /nfs/dbraw/zinc/54/00/54/1369540054.db2.gz VATDEQCIDLVFOT-SFHVURJKSA-N 2 1 330.472 3.303 20 0 EGADMP c1cc(C[N@H+]2CCOC3(CC[NH+](C[C@H]4CC=CCC4)CC3)C2)co1 ZINC001201412215 1369540057 /nfs/dbraw/zinc/54/00/57/1369540057.db2.gz VATDEQCIDLVFOT-SFHVURJKSA-N 2 1 330.472 3.303 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001201505521 1369558508 /nfs/dbraw/zinc/55/85/08/1369558508.db2.gz ZVNNBWQXWZZRPF-IEBWSBKVSA-N 2 1 331.504 3.183 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001201638195 1369594701 /nfs/dbraw/zinc/59/47/01/1369594701.db2.gz JDUQEMFURODYLS-SFTDATJTSA-N 2 1 343.515 3.042 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001201638195 1369594704 /nfs/dbraw/zinc/59/47/04/1369594704.db2.gz JDUQEMFURODYLS-SFTDATJTSA-N 2 1 343.515 3.042 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001201638195 1369594707 /nfs/dbraw/zinc/59/47/07/1369594707.db2.gz JDUQEMFURODYLS-SFTDATJTSA-N 2 1 343.515 3.042 20 0 EGADMP C[N@@H+](CC(=O)N1CCC([NH2+]CC2CC3(CCC3)C2)CC1)CC(C)(C)C ZINC001202539148 1369803135 /nfs/dbraw/zinc/80/31/35/1369803135.db2.gz KNIKKXDUTRKOQG-UHFFFAOYSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001202715527 1369864471 /nfs/dbraw/zinc/86/44/71/1369864471.db2.gz WPQPKCSKFACXEV-UHFFFAOYSA-N 2 1 334.508 3.023 20 0 EGADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](CC1CCC1)CC2 ZINC001202721672 1369865538 /nfs/dbraw/zinc/86/55/38/1369865538.db2.gz HPEIRHDFALABBW-KRWDZBQOSA-N 2 1 349.544 3.246 20 0 EGADMP CC[C@H](C)C[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001202756736 1369880737 /nfs/dbraw/zinc/88/07/37/1369880737.db2.gz GBSUXLKJZYEYBA-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001202872806 1369914105 /nfs/dbraw/zinc/91/41/05/1369914105.db2.gz QFHOCGCKMOQVOC-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP CCC1(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)COC1 ZINC001202969526 1369940800 /nfs/dbraw/zinc/94/08/00/1369940800.db2.gz YXGCZHYZIQLTQE-PMACEKPBSA-N 2 1 328.500 3.257 20 0 EGADMP CCC1(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)COC1 ZINC001202969526 1369940802 /nfs/dbraw/zinc/94/08/02/1369940802.db2.gz YXGCZHYZIQLTQE-PMACEKPBSA-N 2 1 328.500 3.257 20 0 EGADMP CCC1(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)COC1 ZINC001202969526 1369940806 /nfs/dbraw/zinc/94/08/06/1369940806.db2.gz YXGCZHYZIQLTQE-PMACEKPBSA-N 2 1 328.500 3.257 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001114445160 1369947267 /nfs/dbraw/zinc/94/72/67/1369947267.db2.gz LEOLCMBBQFLWME-HCXYKTFWSA-N 2 1 346.519 3.097 20 0 EGADMP CN(CC[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC001202994969 1369949243 /nfs/dbraw/zinc/94/92/43/1369949243.db2.gz HAGWRZAYIRSNNH-KRWDZBQOSA-N 2 1 339.524 3.194 20 0 EGADMP CN(CC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC001202994969 1369949246 /nfs/dbraw/zinc/94/92/46/1369949246.db2.gz HAGWRZAYIRSNNH-KRWDZBQOSA-N 2 1 339.524 3.194 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114502230 1369977497 /nfs/dbraw/zinc/97/74/97/1369977497.db2.gz QJHFBFYWOVTJQW-BWTSREIZSA-N 2 1 349.563 3.122 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001114502230 1369977500 /nfs/dbraw/zinc/97/75/00/1369977500.db2.gz QJHFBFYWOVTJQW-BWTSREIZSA-N 2 1 349.563 3.122 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001114502230 1369977501 /nfs/dbraw/zinc/97/75/01/1369977501.db2.gz QJHFBFYWOVTJQW-BWTSREIZSA-N 2 1 349.563 3.122 20 0 EGADMP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203104972 1369984535 /nfs/dbraw/zinc/98/45/35/1369984535.db2.gz UPUXFOODFIVVDI-IRXDYDNUSA-N 2 1 337.552 3.170 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203167225 1370007277 /nfs/dbraw/zinc/00/72/77/1370007277.db2.gz DNYYLISKPRDAKQ-SJORKVTESA-N 2 1 346.519 3.035 20 0 EGADMP CCCc1ccc(C[NH2+]C2CCN(C(=O)CC[N@@H+](C)CC)CC2)cc1 ZINC001203203184 1370023432 /nfs/dbraw/zinc/02/34/32/1370023432.db2.gz IFJHWBSTWOWVAF-UHFFFAOYSA-N 2 1 345.531 3.062 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC([NH2+]CC2CCC2)CC1)c1ccccc1 ZINC001203312186 1370077237 /nfs/dbraw/zinc/07/72/37/1370077237.db2.gz AJHGQMOINXHADT-HXUWFJFHSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+][C@@H](CC)c2ccccc2)CC1 ZINC001203443271 1370128856 /nfs/dbraw/zinc/12/88/56/1370128856.db2.gz RGMGESGCVLMRBN-FQEVSTJZSA-N 2 1 345.531 3.450 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC=C(C)C)C12CCC2 ZINC001203505313 1370147677 /nfs/dbraw/zinc/14/76/77/1370147677.db2.gz CHFJXCGENYHKEV-OALUTQOASA-N 2 1 349.563 3.482 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203576548 1370176518 /nfs/dbraw/zinc/17/65/18/1370176518.db2.gz FYXKCMXHUGXSEE-DLBZAZTESA-N 2 1 337.552 3.172 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCCC3CCC3)C[C@H]21 ZINC001114985233 1370192042 /nfs/dbraw/zinc/19/20/42/1370192042.db2.gz ZRPQFFULKKBWGZ-KXTWHKPSSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21 ZINC001114985233 1370192045 /nfs/dbraw/zinc/19/20/45/1370192045.db2.gz ZRPQFFULKKBWGZ-KXTWHKPSSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21 ZINC001114985233 1370192047 /nfs/dbraw/zinc/19/20/47/1370192047.db2.gz ZRPQFFULKKBWGZ-KXTWHKPSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001114988923 1370194332 /nfs/dbraw/zinc/19/43/32/1370194332.db2.gz NCCDZRDCNREISL-UPEXUEJVSA-N 2 1 349.563 3.146 20 0 EGADMP COc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)cc1F ZINC001203793703 1370268213 /nfs/dbraw/zinc/26/82/13/1370268213.db2.gz WEZFZTDHINXNQV-UHFFFAOYSA-N 2 1 329.419 3.277 20 0 EGADMP COc1cc(C[N@@H+](C(C)C)C2CCN(C)CC2)cc(OC)c1OC ZINC001203849453 1370289156 /nfs/dbraw/zinc/28/91/56/1370289156.db2.gz LYPJRCQMDGLYDT-UHFFFAOYSA-N 2 1 336.476 3.017 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203918751 1370314725 /nfs/dbraw/zinc/31/47/25/1370314725.db2.gz CAYANUXVICSIRN-HXUWFJFHSA-N 2 1 345.531 3.450 20 0 EGADMP Cc1nc(C[N@H+]2CCCC23CCN(Cc2ccc[nH]2)CC3)cs1 ZINC001204006895 1370346271 /nfs/dbraw/zinc/34/62/71/1370346271.db2.gz SKACULPPZTTXCW-UHFFFAOYSA-N 2 1 330.501 3.410 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001204097650 1370377647 /nfs/dbraw/zinc/37/76/47/1370377647.db2.gz CZNSOCIOXLYBEG-UHFFFAOYSA-N 2 1 333.520 3.022 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)cc1 ZINC001204265393 1370426187 /nfs/dbraw/zinc/42/61/87/1370426187.db2.gz GNISEGOERKXIJQ-PMACEKPBSA-N 2 1 344.499 3.351 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)cc1 ZINC001204265393 1370426191 /nfs/dbraw/zinc/42/61/91/1370426191.db2.gz GNISEGOERKXIJQ-PMACEKPBSA-N 2 1 344.499 3.351 20 0 EGADMP Cc1cnc2c(c1)C[N@H+](Cc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC001204271443 1370428359 /nfs/dbraw/zinc/42/83/59/1370428359.db2.gz MGNDBAFNNAGWHI-UHFFFAOYSA-N 2 1 339.483 3.279 20 0 EGADMP Cc1cnc2c(c1)C[N@@H+](Cc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC001204271443 1370428361 /nfs/dbraw/zinc/42/83/61/1370428361.db2.gz MGNDBAFNNAGWHI-UHFFFAOYSA-N 2 1 339.483 3.279 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115450422 1370458367 /nfs/dbraw/zinc/45/83/67/1370458367.db2.gz AFDPQGQUPCQYNC-SFHVURJKSA-N 2 1 335.536 3.070 20 0 EGADMP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001115536702 1370533703 /nfs/dbraw/zinc/53/37/03/1370533703.db2.gz DLDQIJXGRBXMCG-RTBURBONSA-N 2 1 347.547 3.070 20 0 EGADMP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001115536700 1370533758 /nfs/dbraw/zinc/53/37/58/1370533758.db2.gz DLDQIJXGRBXMCG-OALUTQOASA-N 2 1 347.547 3.070 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115537133 1370534086 /nfs/dbraw/zinc/53/40/86/1370534086.db2.gz XWMPEQSNQGMHCD-MOPGFXCFSA-N 2 1 347.547 3.236 20 0 EGADMP C[N@@H+](CC(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1)C1CCC1 ZINC001115573681 1370576515 /nfs/dbraw/zinc/57/65/15/1370576515.db2.gz TWHZKOUCQFCKMP-UHFFFAOYSA-N 2 1 349.563 3.460 20 0 EGADMP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001115591905 1370593100 /nfs/dbraw/zinc/59/31/00/1370593100.db2.gz KKJHYZQZBWWPJT-MOPGFXCFSA-N 2 1 347.547 3.212 20 0 EGADMP C(=C/c1ccccc1)\C[NH+]1CCN(Cc2ccc3c(c2)C[NH2+]C3)CC1 ZINC001204885365 1370596518 /nfs/dbraw/zinc/59/65/18/1370596518.db2.gz QUKUKRNKDCXDSP-QPJJXVBHSA-N 2 1 333.479 3.121 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CCCCC1 ZINC001115611594 1370610793 /nfs/dbraw/zinc/61/07/93/1370610793.db2.gz OMAYJOBPOJZBPC-GOSISDBHSA-N 2 1 337.552 3.172 20 0 EGADMP Cn1cc(C[N@@H+]2C[C@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001204995363 1370623309 /nfs/dbraw/zinc/62/33/09/1370623309.db2.gz OUKOAGPEZJJKBJ-BHIYHBOVSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cc(C[N@H+]2C[C@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001204995363 1370623310 /nfs/dbraw/zinc/62/33/10/1370623310.db2.gz OUKOAGPEZJJKBJ-BHIYHBOVSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cc(C[NH+]2C[C@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001204995363 1370623314 /nfs/dbraw/zinc/62/33/14/1370623314.db2.gz OUKOAGPEZJJKBJ-BHIYHBOVSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cc(C[NH+]2C[C@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001204995363 1370623316 /nfs/dbraw/zinc/62/33/16/1370623316.db2.gz OUKOAGPEZJJKBJ-BHIYHBOVSA-N 2 1 344.528 3.214 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCCCC1 ZINC001115630310 1370623632 /nfs/dbraw/zinc/62/36/32/1370623632.db2.gz KELIPCNFYPDZCP-UHFFFAOYSA-N 2 1 334.508 3.036 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C)c1C)C2 ZINC001205076321 1370644036 /nfs/dbraw/zinc/64/40/36/1370644036.db2.gz UQKXERQZYBCJKV-YADHBBJMSA-N 2 1 342.527 3.484 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(C)c1C)C2 ZINC001205076321 1370644040 /nfs/dbraw/zinc/64/40/40/1370644040.db2.gz UQKXERQZYBCJKV-YADHBBJMSA-N 2 1 342.527 3.484 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(C)c1C)C2 ZINC001205076321 1370644044 /nfs/dbraw/zinc/64/40/44/1370644044.db2.gz UQKXERQZYBCJKV-YADHBBJMSA-N 2 1 342.527 3.484 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC001205212021 1370683396 /nfs/dbraw/zinc/68/33/96/1370683396.db2.gz XDTGSSNDLMHBIU-HXUWFJFHSA-N 2 1 326.440 3.155 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001205219198 1370685308 /nfs/dbraw/zinc/68/53/08/1370685308.db2.gz AENHZMQMRIRZRE-CQSZACIVSA-N 2 1 336.785 3.035 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)cc1F ZINC001205223103 1370687009 /nfs/dbraw/zinc/68/70/09/1370687009.db2.gz UYNMEHUHAOJXRI-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)cc1F ZINC001205223103 1370687013 /nfs/dbraw/zinc/68/70/13/1370687013.db2.gz UYNMEHUHAOJXRI-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1F ZINC001205223103 1370687017 /nfs/dbraw/zinc/68/70/17/1370687017.db2.gz UYNMEHUHAOJXRI-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1F ZINC001205223103 1370687020 /nfs/dbraw/zinc/68/70/20/1370687020.db2.gz UYNMEHUHAOJXRI-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@H+](Cc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC001205231044 1370688884 /nfs/dbraw/zinc/68/88/84/1370688884.db2.gz WHIRPIMKHUVRJE-AWEZNQCLSA-N 2 1 337.678 3.323 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC001205231044 1370688888 /nfs/dbraw/zinc/68/88/88/1370688888.db2.gz WHIRPIMKHUVRJE-AWEZNQCLSA-N 2 1 337.678 3.323 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(-c3ccccc3)ncc2Cl)CC1 ZINC001205248756 1370695276 /nfs/dbraw/zinc/69/52/76/1370695276.db2.gz SEZWNJUFMSGIHC-IBGZPJMESA-N 2 1 345.874 3.078 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115729726 1370711955 /nfs/dbraw/zinc/71/19/55/1370711955.db2.gz QJUJMWDMVCYPJL-KRWDZBQOSA-N 2 1 337.552 3.173 20 0 EGADMP C[N@@H+](CC(=O)NCC1([NH2+]CC2CCC2)CCCCC1)CC(C)(C)C ZINC001115730546 1370713113 /nfs/dbraw/zinc/71/31/13/1370713113.db2.gz NGSJIDNEIZKBSZ-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)(C)OC(=O)C[N@H+](Cc1ccccc1)CC1(C)CC[NH2+]CC1 ZINC001205318278 1370719736 /nfs/dbraw/zinc/71/97/36/1370719736.db2.gz TWMYJRDOPZQSIK-UHFFFAOYSA-N 2 1 332.488 3.220 20 0 EGADMP CC(C)(C)OC(=O)C[N@@H+](Cc1ccccc1)CC1(C)CC[NH2+]CC1 ZINC001205318278 1370719739 /nfs/dbraw/zinc/71/97/39/1370719739.db2.gz TWMYJRDOPZQSIK-UHFFFAOYSA-N 2 1 332.488 3.220 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc3ncc(Br)cc3c2)C[C@H]1C[NH3+] ZINC001205317681 1370720357 /nfs/dbraw/zinc/72/03/57/1370720357.db2.gz PLKWYUNQFHUGAO-SWLSCSKDSA-N 2 1 348.288 3.414 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(C[NH2+]C[C@H](C)CC)CC1 ZINC001205339550 1370726108 /nfs/dbraw/zinc/72/61/08/1370726108.db2.gz HZDWLIZIVILGOW-IAGOWNOFSA-N 2 1 348.535 3.271 20 0 EGADMP CC[C@H](C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205461521 1370762255 /nfs/dbraw/zinc/76/22/55/1370762255.db2.gz LZEVLZLPIHFXHJ-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205462149 1370763275 /nfs/dbraw/zinc/76/32/75/1370763275.db2.gz UBBUHZNONPUVEI-IBGZPJMESA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001205519046 1370778632 /nfs/dbraw/zinc/77/86/32/1370778632.db2.gz SQXRBNNEOLMVLL-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)Oc1ncc(Cl)cc1C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205578620 1370798396 /nfs/dbraw/zinc/79/83/96/1370798396.db2.gz HGTXLZGCFHSRKL-INIZCTEOSA-N 2 1 329.847 3.175 20 0 EGADMP CC(C)Oc1ncc(Cl)cc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205578620 1370798399 /nfs/dbraw/zinc/79/83/99/1370798399.db2.gz HGTXLZGCFHSRKL-INIZCTEOSA-N 2 1 329.847 3.175 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)CC[C@@H]1C[NH3+] ZINC001205618019 1370812804 /nfs/dbraw/zinc/81/28/04/1370812804.db2.gz QPYUJABIFBZHES-NVXWUHKLSA-N 2 1 326.444 3.076 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2)CC[C@H]1C[NH3+] ZINC001205618073 1370812988 /nfs/dbraw/zinc/81/29/88/1370812988.db2.gz RESMUMSSCSJTDA-YPMHNXCESA-N 2 1 329.257 3.395 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c(F)cccc2Br)CC[C@H]1C[NH3+] ZINC001205617922 1370813327 /nfs/dbraw/zinc/81/33/27/1370813327.db2.gz PGNSKKDUINDFFQ-NEPJUHHUSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2sc(N3CCCC3)nc2Cl)CC[C@H]1C[NH3+] ZINC001205627567 1370817824 /nfs/dbraw/zinc/81/78/24/1370817824.db2.gz QVYYELORUHDDBV-OLZOCXBDSA-N 2 1 342.940 3.204 20 0 EGADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(Cl)c1 ZINC001205637807 1370822191 /nfs/dbraw/zinc/82/21/91/1370822191.db2.gz IXGLKSNPZVHBFE-DZGCQCFKSA-N 2 1 338.879 3.324 20 0 EGADMP COc1cc(Br)cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205638854 1370823178 /nfs/dbraw/zinc/82/31/78/1370823178.db2.gz SPBIGHZZZWHNII-OCCSQVGLSA-N 2 1 341.293 3.265 20 0 EGADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)cc21 ZINC001205651902 1370828448 /nfs/dbraw/zinc/82/84/48/1370828448.db2.gz LNZBQXVKJMDHOL-LPHOPBHVSA-N 3 1 327.516 3.495 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001205725823 1370852977 /nfs/dbraw/zinc/85/29/77/1370852977.db2.gz LQSZUFSCBJENNZ-JOCHJYFZSA-N 2 1 338.495 3.148 20 0 EGADMP Cc1cccc(-c2ccc(C[N@H+]3CCCC[C@](O)(C[NH3+])C3)cn2)c1C ZINC001205726828 1370853468 /nfs/dbraw/zinc/85/34/68/1370853468.db2.gz YABSUNGSMCIHSL-NRFANRHFSA-N 2 1 339.483 3.041 20 0 EGADMP CC[N@H+]1CC[C@@H](NCc2cc(Cl)c(OC)c(OC)c2)[C@H](C)C1 ZINC001116480735 1370921636 /nfs/dbraw/zinc/92/16/36/1370921636.db2.gz QHYKYVRCOOKPNG-IUODEOHRSA-N 2 1 326.868 3.177 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)[C@H](C)C1 ZINC001116480735 1370921644 /nfs/dbraw/zinc/92/16/44/1370921644.db2.gz QHYKYVRCOOKPNG-IUODEOHRSA-N 2 1 326.868 3.177 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC001205985314 1370929965 /nfs/dbraw/zinc/92/99/65/1370929965.db2.gz XBAXOVPOHCJRSH-VQIMIIECSA-N 2 1 332.488 3.103 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2F)CCC[C@@H]1C[NH3+] ZINC001205994030 1370932913 /nfs/dbraw/zinc/93/29/13/1370932913.db2.gz ITVUVBRJPMGAOT-VXGBXAGGSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2c(F)cccc2Br)CCC[C@@H]1C[NH3+] ZINC001205996190 1370933212 /nfs/dbraw/zinc/93/32/12/1370933212.db2.gz VUJMDDFQFJSMLR-VXGBXAGGSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2c(Br)ccc(O)c2F)CCC[C@@H]1C[NH3+] ZINC001206025677 1370942491 /nfs/dbraw/zinc/94/24/91/1370942491.db2.gz OXYJJAMLSPKWRO-GHMZBOCLSA-N 2 1 345.256 3.101 20 0 EGADMP COc1ccc(-c2ncc(C[N@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)s2)cc1 ZINC001206172876 1370980020 /nfs/dbraw/zinc/98/00/20/1370980020.db2.gz CIQFPSDMMKUONO-CVEARBPZSA-N 2 1 335.448 3.080 20 0 EGADMP COc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)s2)cc1 ZINC001206172876 1370980021 /nfs/dbraw/zinc/98/00/21/1370980021.db2.gz CIQFPSDMMKUONO-CVEARBPZSA-N 2 1 335.448 3.080 20 0 EGADMP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3cc4ccccc4[nH]3)c2)CC1 ZINC001116854057 1370986638 /nfs/dbraw/zinc/98/66/38/1370986638.db2.gz QPGIBQUYNZYLDP-UHFFFAOYSA-N 2 1 348.494 3.205 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)CC[C@@H]1F ZINC001206196619 1370989645 /nfs/dbraw/zinc/98/96/45/1370989645.db2.gz CIYLOGUZLMWHMC-DOTOQJQBSA-N 2 1 335.373 3.288 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)CC[C@@H]1F ZINC001206196619 1370989649 /nfs/dbraw/zinc/98/96/49/1370989649.db2.gz CIYLOGUZLMWHMC-DOTOQJQBSA-N 2 1 335.373 3.288 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(-c2ccccc2)cn1 ZINC001206209054 1370992961 /nfs/dbraw/zinc/99/29/61/1370992961.db2.gz AKUHFEXEGMSHET-MSOLQXFVSA-N 2 1 329.419 3.018 20 0 EGADMP Cc1cnc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1Br ZINC001206311780 1371018212 /nfs/dbraw/zinc/01/82/12/1371018212.db2.gz UWRSTGDGPOJNDY-HNNXBMFYSA-N 2 1 326.282 3.103 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)CC[NH2+]1 ZINC001326077771 1388110032 /nfs/dbraw/zinc/11/00/32/1388110032.db2.gz YXRRQMXFHHWASV-ONGXEEELSA-N 2 1 336.329 3.120 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206547574 1371090030 /nfs/dbraw/zinc/09/00/30/1371090030.db2.gz JKXZXDNWZYDMJV-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)ccc1-n1cnc(C)c1 ZINC001206563843 1371095003 /nfs/dbraw/zinc/09/50/03/1371095003.db2.gz IHBHJCFYXMRQBS-HXUWFJFHSA-N 2 1 342.487 3.140 20 0 EGADMP COC(=O)c1ccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC001206599702 1371104754 /nfs/dbraw/zinc/10/47/54/1371104754.db2.gz VTISBYTXCPESDC-INIZCTEOSA-N 2 1 338.879 3.479 20 0 EGADMP COC(=O)c1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC001206599702 1371104759 /nfs/dbraw/zinc/10/47/59/1371104759.db2.gz VTISBYTXCPESDC-INIZCTEOSA-N 2 1 338.879 3.479 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c2c(OC)cccc12 ZINC001206616984 1371110023 /nfs/dbraw/zinc/11/00/23/1371110023.db2.gz WCBOHZIZKSDHOS-OAHLLOKOSA-N 2 1 328.456 3.418 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)C1 ZINC001206622369 1371111776 /nfs/dbraw/zinc/11/17/76/1371111776.db2.gz AMTNMPUUWUFGKL-NSHDSACASA-N 2 1 326.366 3.143 20 0 EGADMP COCCCOc1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001118181183 1371142016 /nfs/dbraw/zinc/14/20/16/1371142016.db2.gz ULVKVJVVLATIMW-UHFFFAOYSA-N 2 1 332.488 3.068 20 0 EGADMP CC(C)([NH3+])CCC(=O)Nc1ccc2nc(CN3CCCCC3)[nH]c2c1 ZINC001118221447 1371148678 /nfs/dbraw/zinc/14/86/78/1371148678.db2.gz COEVIMVKZHMZBE-UHFFFAOYSA-N 2 1 343.475 3.005 20 0 EGADMP CC(C)([NH3+])CCC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001118221447 1371148682 /nfs/dbraw/zinc/14/86/82/1371148682.db2.gz COEVIMVKZHMZBE-UHFFFAOYSA-N 2 1 343.475 3.005 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)ccc1OC(=O)C(C)C ZINC001206769716 1371159533 /nfs/dbraw/zinc/15/95/33/1371159533.db2.gz PRKFOKFWEOVMKU-NVXWUHKLSA-N 2 1 348.487 3.206 20 0 EGADMP Fc1cnccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001206784080 1371166213 /nfs/dbraw/zinc/16/62/13/1371166213.db2.gz AVKAXGKFHISTQA-UHFFFAOYSA-N 2 1 329.419 3.302 20 0 EGADMP Cc1ncc(CN2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1C ZINC001206795336 1371168802 /nfs/dbraw/zinc/16/88/02/1371168802.db2.gz BUUWIVDRCCDYNH-NRFANRHFSA-N 2 1 338.499 3.217 20 0 EGADMP Cc1[nH+]cc(CN2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1C ZINC001206795336 1371168804 /nfs/dbraw/zinc/16/88/04/1371168804.db2.gz BUUWIVDRCCDYNH-NRFANRHFSA-N 2 1 338.499 3.217 20 0 EGADMP Cc1[nH+]cc(CN2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1C ZINC001206795336 1371168807 /nfs/dbraw/zinc/16/88/07/1371168807.db2.gz BUUWIVDRCCDYNH-NRFANRHFSA-N 2 1 338.499 3.217 20 0 EGADMP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001206952462 1371243987 /nfs/dbraw/zinc/24/39/87/1371243987.db2.gz PSZYHGMJSYRKKC-HCZHMGAMSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccc[nH]c3=O)C[C@@H]21 ZINC001207006615 1371264139 /nfs/dbraw/zinc/26/41/39/1371264139.db2.gz JQQTZHYUQGAYIL-UFYCRDLUSA-N 2 1 337.467 3.398 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc[nH]c3=O)C[C@@H]21 ZINC001207006615 1371264146 /nfs/dbraw/zinc/26/41/46/1371264146.db2.gz JQQTZHYUQGAYIL-UFYCRDLUSA-N 2 1 337.467 3.398 20 0 EGADMP O=c1[nH]cccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207012851 1371267047 /nfs/dbraw/zinc/26/70/47/1371267047.db2.gz ZEJKIRGEVUFORA-RBUKOAKNSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1[nH]cccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207012851 1371267050 /nfs/dbraw/zinc/26/70/50/1371267050.db2.gz ZEJKIRGEVUFORA-RBUKOAKNSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1[nH]cccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207012851 1371267054 /nfs/dbraw/zinc/26/70/54/1371267054.db2.gz ZEJKIRGEVUFORA-RBUKOAKNSA-N 2 1 337.467 3.131 20 0 EGADMP c1[nH+]c(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)n2ccccc12 ZINC001207057521 1371281271 /nfs/dbraw/zinc/28/12/71/1371281271.db2.gz NZJCRWDJBPGBJY-QFIPXVFZSA-N 2 1 346.478 3.432 20 0 EGADMP c1[nH+]c(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n2ccccc12 ZINC001207057521 1371281274 /nfs/dbraw/zinc/28/12/74/1371281274.db2.gz NZJCRWDJBPGBJY-QFIPXVFZSA-N 2 1 346.478 3.432 20 0 EGADMP Cc1cnc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)cn1 ZINC001207075456 1371286463 /nfs/dbraw/zinc/28/64/63/1371286463.db2.gz PINIGSJDGCOLCR-UHFFFAOYSA-N 2 1 342.512 3.335 20 0 EGADMP CCn1ccnc1C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001207141029 1371308468 /nfs/dbraw/zinc/30/84/68/1371308468.db2.gz HGIJIYOOFJPRJV-UHFFFAOYSA-N 2 1 344.528 3.453 20 0 EGADMP CCn1ccnc1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001207141029 1371308471 /nfs/dbraw/zinc/30/84/71/1371308471.db2.gz HGIJIYOOFJPRJV-UHFFFAOYSA-N 2 1 344.528 3.453 20 0 EGADMP Cc1cncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1 ZINC001207156170 1371313321 /nfs/dbraw/zinc/31/33/21/1371313321.db2.gz BDWNXHYMFXDLLW-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC001119365017 1371322558 /nfs/dbraw/zinc/32/25/58/1371322558.db2.gz WPAHTKPDHQZDJS-IAGOWNOFSA-N 2 1 337.467 3.225 20 0 EGADMP Cc1ccc(C2=NO[C@H](C[NH2+]C3CC[NH+](C(C)(C)C)CC3)C2)cc1 ZINC001119451138 1371347018 /nfs/dbraw/zinc/34/70/18/1371347018.db2.gz YFQRULIFFWMUCS-SFHVURJKSA-N 2 1 329.488 3.341 20 0 EGADMP CCC(=O)N(c1ccccc1)C1CC[NH+](CC(C)(C)C[NH+](C)C)CC1 ZINC001207275776 1371347323 /nfs/dbraw/zinc/34/73/23/1371347323.db2.gz PBIBLWKQWBKQPF-UHFFFAOYSA-N 2 1 345.531 3.482 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H](OCC2CC2)[C@@H]1Cc1cccnc1 ZINC001207279341 1371348558 /nfs/dbraw/zinc/34/85/58/1371348558.db2.gz LCBHMWWKAWOJCQ-PMACEKPBSA-N 2 1 345.531 3.081 20 0 EGADMP OCC[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207284475 1371349703 /nfs/dbraw/zinc/34/97/03/1371349703.db2.gz NSERDCRFDQIFTD-UHFFFAOYSA-N 2 1 338.495 3.393 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC001207285215 1371350401 /nfs/dbraw/zinc/35/04/01/1371350401.db2.gz DEUDIKDSSSYUET-UHFFFAOYSA-N 2 1 326.431 3.396 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@@H+]3CCC[C@@H]3CN3CCCC3)CC2)cc1 ZINC001207292705 1371352731 /nfs/dbraw/zinc/35/27/31/1371352731.db2.gz WLNIZZULTDWBAZ-JOCHJYFZSA-N 2 1 341.543 3.459 20 0 EGADMP c1ccc(C[NH+]2CCC(CN3CCC[C@@H]3C[NH+]3CCCC3)CC2)cc1 ZINC001207292705 1371352735 /nfs/dbraw/zinc/35/27/35/1371352735.db2.gz WLNIZZULTDWBAZ-JOCHJYFZSA-N 2 1 341.543 3.459 20 0 EGADMP O=C1CC[C@]2(CCC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)O1 ZINC001207294381 1371353727 /nfs/dbraw/zinc/35/37/27/1371353727.db2.gz QARRAIFWHMLPDE-NRFANRHFSA-N 2 1 342.483 3.070 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C[C@@H]3CCOC(C)(C)C3)C2)C1 ZINC001207354324 1371371296 /nfs/dbraw/zinc/37/12/96/1371371296.db2.gz LMRJHUOXILCTCE-UYAOXDASSA-N 2 1 338.536 3.014 20 0 EGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C[C@@H]3CCOC(C)(C)C3)C2)C1 ZINC001207354324 1371371301 /nfs/dbraw/zinc/37/13/01/1371371301.db2.gz LMRJHUOXILCTCE-UYAOXDASSA-N 2 1 338.536 3.014 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C[C@@H]3CCOC(C)(C)C3)C2)C1 ZINC001207354324 1371371305 /nfs/dbraw/zinc/37/13/05/1371371305.db2.gz LMRJHUOXILCTCE-UYAOXDASSA-N 2 1 338.536 3.014 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C[C@@H]3CCOC(C)(C)C3)C2)C1 ZINC001207354324 1371371308 /nfs/dbraw/zinc/37/13/08/1371371308.db2.gz LMRJHUOXILCTCE-UYAOXDASSA-N 2 1 338.536 3.014 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCc3ccc(OC(F)(F)F)cc3C2)CC1 ZINC001207399843 1371385038 /nfs/dbraw/zinc/38/50/38/1371385038.db2.gz WFYINHWHXACXMP-UHFFFAOYSA-N 2 1 328.378 3.285 20 0 EGADMP CCOC(=O)CCC[N@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC001207400638 1371385293 /nfs/dbraw/zinc/38/52/93/1371385293.db2.gz IDVATLSKGJLOQJ-UHFFFAOYSA-N 2 1 332.488 3.174 20 0 EGADMP CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)[N@H+]1CC1CC[NH+](C)CC1 ZINC001207401520 1371386344 /nfs/dbraw/zinc/38/63/44/1371386344.db2.gz ORIBNYPRNNJWTL-PMACEKPBSA-N 2 1 344.499 3.487 20 0 EGADMP COc1cccc(CC[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001207427306 1371392732 /nfs/dbraw/zinc/39/27/32/1371392732.db2.gz UXGJUSYSXKRPPU-NRFANRHFSA-N 2 1 346.515 3.061 20 0 EGADMP COc1cccc(CC[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001207427306 1371392736 /nfs/dbraw/zinc/39/27/36/1371392736.db2.gz UXGJUSYSXKRPPU-NRFANRHFSA-N 2 1 346.515 3.061 20 0 EGADMP COc1cccc(CC[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001207427306 1371392740 /nfs/dbraw/zinc/39/27/40/1371392740.db2.gz UXGJUSYSXKRPPU-NRFANRHFSA-N 2 1 346.515 3.061 20 0 EGADMP COc1cccc(CC[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001207427306 1371392744 /nfs/dbraw/zinc/39/27/44/1371392744.db2.gz UXGJUSYSXKRPPU-NRFANRHFSA-N 2 1 346.515 3.061 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C[C@@H]2CCCOC2)C3)cc1 ZINC001207469378 1371404230 /nfs/dbraw/zinc/40/42/30/1371404230.db2.gz KBQURZXRJJHUBE-SFTDATJTSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C[C@@H]2CCCOC2)C3)cc1 ZINC001207469378 1371404232 /nfs/dbraw/zinc/40/42/32/1371404232.db2.gz KBQURZXRJJHUBE-SFTDATJTSA-N 2 1 328.500 3.401 20 0 EGADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)CCC1CC[NH+](C)CC1)C2 ZINC001207487049 1371410721 /nfs/dbraw/zinc/41/07/21/1371410721.db2.gz FXCVEKLECANQEE-QGZVFWFLSA-N 2 1 332.488 3.007 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](CCc3cccc(Br)c3)C2)CC1 ZINC001207509327 1371418968 /nfs/dbraw/zinc/41/89/68/1371418968.db2.gz CTVZRGZYSIVWHS-UHFFFAOYSA-N 2 1 337.305 3.409 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001207541102 1371430327 /nfs/dbraw/zinc/43/03/27/1371430327.db2.gz SQKXYJPCGQYAAP-GUDVDZBRSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001207541102 1371430331 /nfs/dbraw/zinc/43/03/31/1371430331.db2.gz SQKXYJPCGQYAAP-GUDVDZBRSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001207541102 1371430333 /nfs/dbraw/zinc/43/03/33/1371430333.db2.gz SQKXYJPCGQYAAP-GUDVDZBRSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001207547078 1371432637 /nfs/dbraw/zinc/43/26/37/1371432637.db2.gz KBQFIUYABTVAEF-ZACQAIPSSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001207547078 1371432641 /nfs/dbraw/zinc/43/26/41/1371432641.db2.gz KBQFIUYABTVAEF-ZACQAIPSSA-N 2 1 346.519 3.023 20 0 EGADMP Cn1cc(C[N@H+]2CCCC23CC[NH+](C[C@H]2C[C@H]4C=C[C@@H]2C4)CC3)cn1 ZINC001207625657 1371457181 /nfs/dbraw/zinc/45/71/81/1371457181.db2.gz RXFXXGLMOASJMW-DFQSSKMNSA-N 2 1 340.515 3.063 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001207795956 1371506068 /nfs/dbraw/zinc/50/60/68/1371506068.db2.gz PQOCBLYZTOIVPT-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001207795956 1371506071 /nfs/dbraw/zinc/50/60/71/1371506071.db2.gz PQOCBLYZTOIVPT-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001207795956 1371506075 /nfs/dbraw/zinc/50/60/75/1371506075.db2.gz PQOCBLYZTOIVPT-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](CC3(C)COC3)C[C@H]21 ZINC001207796623 1371507238 /nfs/dbraw/zinc/50/72/38/1371507238.db2.gz YUNKHLDMLBMVQZ-CGTJXYLNSA-N 2 1 334.529 3.317 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](CC3(C)COC3)C[C@H]21 ZINC001207796623 1371507241 /nfs/dbraw/zinc/50/72/41/1371507241.db2.gz YUNKHLDMLBMVQZ-CGTJXYLNSA-N 2 1 334.529 3.317 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](CC3(C)COC3)C[C@H]21 ZINC001207796623 1371507245 /nfs/dbraw/zinc/50/72/45/1371507245.db2.gz YUNKHLDMLBMVQZ-CGTJXYLNSA-N 2 1 334.529 3.317 20 0 EGADMP C[N@H+](C1CCOCC1)C1CC[NH+](CC2(c3ccccc3)CC2)CC1 ZINC001207839312 1371516243 /nfs/dbraw/zinc/51/62/43/1371516243.db2.gz MEGVUDPJLDLURT-UHFFFAOYSA-N 2 1 328.500 3.293 20 0 EGADMP C[N@@H+](C1CCOCC1)C1CC[NH+](CC2(c3ccccc3)CC2)CC1 ZINC001207839312 1371516245 /nfs/dbraw/zinc/51/62/45/1371516245.db2.gz MEGVUDPJLDLURT-UHFFFAOYSA-N 2 1 328.500 3.293 20 0 EGADMP CC1(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCOCC1 ZINC001207968615 1371555017 /nfs/dbraw/zinc/55/50/17/1371555017.db2.gz BHBQGWTYVRGMSP-NRFANRHFSA-N 2 1 328.500 3.401 20 0 EGADMP CC1(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCOCC1 ZINC001207968615 1371555022 /nfs/dbraw/zinc/55/50/22/1371555022.db2.gz BHBQGWTYVRGMSP-NRFANRHFSA-N 2 1 328.500 3.401 20 0 EGADMP CC1(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCOCC1 ZINC001207968615 1371555025 /nfs/dbraw/zinc/55/50/25/1371555025.db2.gz BHBQGWTYVRGMSP-NRFANRHFSA-N 2 1 328.500 3.401 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CC=C(C)C)C1 ZINC001120401443 1371562065 /nfs/dbraw/zinc/56/20/65/1371562065.db2.gz JEGCBFGMBKIZPQ-MOPGFXCFSA-N 2 1 349.563 3.386 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC=C(C)C)C1 ZINC001120401443 1371562069 /nfs/dbraw/zinc/56/20/69/1371562069.db2.gz JEGCBFGMBKIZPQ-MOPGFXCFSA-N 2 1 349.563 3.386 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC=C(C)C)C1 ZINC001120401443 1371562073 /nfs/dbraw/zinc/56/20/73/1371562073.db2.gz JEGCBFGMBKIZPQ-MOPGFXCFSA-N 2 1 349.563 3.386 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120421877 1371569227 /nfs/dbraw/zinc/56/92/27/1371569227.db2.gz FUWGOCPWZBSCRX-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439610 1371577248 /nfs/dbraw/zinc/57/72/48/1371577248.db2.gz HJIKTNARLJROIN-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CCCC3CCCC3)C2)CC[N@H+]1C ZINC001208073383 1371588657 /nfs/dbraw/zinc/58/86/57/1371588657.db2.gz JBBYZAFGCDMMBI-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](CCCn2cccn2)CC1 ZINC001208084897 1371591443 /nfs/dbraw/zinc/59/14/43/1371591443.db2.gz YQVXMXHZKGIVJE-UHFFFAOYSA-N 2 1 330.451 3.009 20 0 EGADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](CCCn2cccn2)CC1 ZINC001208084897 1371591445 /nfs/dbraw/zinc/59/14/45/1371591445.db2.gz YQVXMXHZKGIVJE-UHFFFAOYSA-N 2 1 330.451 3.009 20 0 EGADMP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208106975 1371596604 /nfs/dbraw/zinc/59/66/04/1371596604.db2.gz ICDIHEZZQPVIGV-QGZVFWFLSA-N 2 1 333.495 3.064 20 0 EGADMP CN(C[C@H]1CCC[N@H+]1CC1(C)CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC001208111974 1371598450 /nfs/dbraw/zinc/59/84/50/1371598450.db2.gz PRIGRIROONPMIA-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)CC1(C)CC[NH+](C)CC1 ZINC001208112177 1371598644 /nfs/dbraw/zinc/59/86/44/1371598644.db2.gz SHZRMPYVUTWAIY-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208164958 1371614066 /nfs/dbraw/zinc/61/40/66/1371614066.db2.gz ZQPVNNSREUKCMP-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+](C)CC1(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)CCCC1 ZINC001208185411 1371626632 /nfs/dbraw/zinc/62/66/32/1371626632.db2.gz CZACVMXJLLOYBM-RTWAWAEBSA-N 2 1 341.543 3.315 20 0 EGADMP COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208185766 1371626730 /nfs/dbraw/zinc/62/67/30/1371626730.db2.gz QBJPTAQIUGKKGB-UYAOXDASSA-N 2 1 338.536 3.016 20 0 EGADMP C[NH+](C)CC1(CN2CC3(CC[N@@H+]3Cc3ccccc3)C2)CCCC1 ZINC001208186510 1371626942 /nfs/dbraw/zinc/62/69/42/1371626942.db2.gz SOGDXSZMCPROBY-UHFFFAOYSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+](C)CC1(CN2CC3(CC[N@H+]3Cc3ccccc3)C2)CCCC1 ZINC001208186510 1371626947 /nfs/dbraw/zinc/62/69/47/1371626947.db2.gz SOGDXSZMCPROBY-UHFFFAOYSA-N 2 1 327.516 3.069 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281291 1371697053 /nfs/dbraw/zinc/69/70/53/1371697053.db2.gz BAFDJYYLCXXDAT-BTFXCVNISA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001208332088 1371721281 /nfs/dbraw/zinc/72/12/81/1371721281.db2.gz ZXKMPYNTXIGJSR-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208363363 1371735390 /nfs/dbraw/zinc/73/53/90/1371735390.db2.gz XYPOSYMSRYKEMC-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001208423088 1371762889 /nfs/dbraw/zinc/76/28/89/1371762889.db2.gz DWBYVSOAOVBZIZ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@H]1C)[NH+](CC)CC ZINC001208571287 1371822586 /nfs/dbraw/zinc/82/25/86/1371822586.db2.gz KNGGCEKATLXNSI-RLLQIKCJSA-N 2 1 345.531 3.052 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C)[NH+](CC)CC ZINC001208575249 1371823368 /nfs/dbraw/zinc/82/33/68/1371823368.db2.gz LXYNAOJEFHMVEL-MISYRCLQSA-N 2 1 349.563 3.434 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001208575166 1371823775 /nfs/dbraw/zinc/82/37/75/1371823775.db2.gz KXWAWYJMCYIBFQ-KURKYZTESA-N 2 1 325.541 3.124 20 0 EGADMP CCCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208588885 1371829509 /nfs/dbraw/zinc/82/95/09/1371829509.db2.gz MMSJWQCDNGVSSQ-NRFANRHFSA-N 2 1 329.532 3.459 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](C)C[C@H]2Cc3cc(OC)c(OC)cc32)CC1 ZINC001208601630 1371835930 /nfs/dbraw/zinc/83/59/30/1371835930.db2.gz OMEYZSQBSZYLPB-QGZVFWFLSA-N 2 1 332.488 3.007 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC001208602748 1371835962 /nfs/dbraw/zinc/83/59/62/1371835962.db2.gz MCKTVGJKODHEJO-RDJZCZTQSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@H+]1CCC[C@H](CN2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC001208613206 1371839678 /nfs/dbraw/zinc/83/96/78/1371839678.db2.gz RNVYIBDJBOMUSO-FQEVSTJZSA-N 2 1 343.559 3.444 20 0 EGADMP CC(C)[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208614718 1371841222 /nfs/dbraw/zinc/84/12/22/1371841222.db2.gz FLIYNNXOKYCIGD-SJORKVTESA-N 2 1 339.524 3.048 20 0 EGADMP CC(C)[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208614718 1371841225 /nfs/dbraw/zinc/84/12/25/1371841225.db2.gz FLIYNNXOKYCIGD-SJORKVTESA-N 2 1 339.524 3.048 20 0 EGADMP CC(C)[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208614718 1371841230 /nfs/dbraw/zinc/84/12/30/1371841230.db2.gz FLIYNNXOKYCIGD-SJORKVTESA-N 2 1 339.524 3.048 20 0 EGADMP CC(C)[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208614718 1371841233 /nfs/dbraw/zinc/84/12/33/1371841233.db2.gz FLIYNNXOKYCIGD-SJORKVTESA-N 2 1 339.524 3.048 20 0 EGADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001208615835 1371842244 /nfs/dbraw/zinc/84/22/44/1371842244.db2.gz IIPXZYLBIWXCRO-YESZJQIVSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001208615835 1371842249 /nfs/dbraw/zinc/84/22/49/1371842249.db2.gz IIPXZYLBIWXCRO-YESZJQIVSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001208615835 1371842253 /nfs/dbraw/zinc/84/22/53/1371842253.db2.gz IIPXZYLBIWXCRO-YESZJQIVSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001208615835 1371842258 /nfs/dbraw/zinc/84/22/58/1371842258.db2.gz IIPXZYLBIWXCRO-YESZJQIVSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccc(C(C)(C)C)cc3)CC2)C1 ZINC001208617907 1371842989 /nfs/dbraw/zinc/84/29/89/1371842989.db2.gz QNLJWOMJIYKROH-GOSISDBHSA-N 2 1 329.532 3.448 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccc(C(C)(C)C)cc3)CC2)C1 ZINC001208617907 1371842994 /nfs/dbraw/zinc/84/29/94/1371842994.db2.gz QNLJWOMJIYKROH-GOSISDBHSA-N 2 1 329.532 3.448 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC[C@@H]([NH2+]CC2CCCC2)C1)C1CCCCC1 ZINC001208758642 1371885790 /nfs/dbraw/zinc/88/57/90/1371885790.db2.gz MHTFIKFCGXKODN-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001121233633 1371902835 /nfs/dbraw/zinc/90/28/35/1371902835.db2.gz PTTBTJGEAMRZLG-HNSLBZJHSA-N 2 1 347.547 3.211 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](C[C@H]1CCC=CO1)CC2 ZINC001208878467 1371929922 /nfs/dbraw/zinc/92/99/22/1371929922.db2.gz HQAJVYAZJNMFRX-PKOBYXMFSA-N 2 1 346.471 3.028 20 0 EGADMP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001121347347 1371945497 /nfs/dbraw/zinc/94/54/97/1371945497.db2.gz HPKGWIFJGXKUJN-FCOWATRHSA-N 2 1 347.547 3.090 20 0 EGADMP CC1(C)C[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@](C)(CO)C1 ZINC001208930991 1371949465 /nfs/dbraw/zinc/94/94/65/1371949465.db2.gz GONOFWQLVGBJGR-PZJWPPBQSA-N 2 1 330.516 3.382 20 0 EGADMP CC1(C)C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@](C)(CO)C1 ZINC001208930991 1371949469 /nfs/dbraw/zinc/94/94/69/1371949469.db2.gz GONOFWQLVGBJGR-PZJWPPBQSA-N 2 1 330.516 3.382 20 0 EGADMP CC1(C)C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@](C)(CO)C1 ZINC001208930991 1371949471 /nfs/dbraw/zinc/94/94/71/1371949471.db2.gz GONOFWQLVGBJGR-PZJWPPBQSA-N 2 1 330.516 3.382 20 0 EGADMP CC1(C)C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@](C)(CO)C1 ZINC001208930991 1371949481 /nfs/dbraw/zinc/94/94/81/1371949481.db2.gz GONOFWQLVGBJGR-PZJWPPBQSA-N 2 1 330.516 3.382 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C4CCC4)CC3)C2)cc1 ZINC001208931474 1371950955 /nfs/dbraw/zinc/95/09/55/1371950955.db2.gz KNOSDWUCAAPWCC-FQEVSTJZSA-N 2 1 327.516 3.069 20 0 EGADMP O[C@]1(CF)CCCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208931249 1371951057 /nfs/dbraw/zinc/95/10/57/1371951057.db2.gz IPTKQWIKIONRDC-UXHICEINSA-N 2 1 334.479 3.085 20 0 EGADMP O[C@]1(CF)CCCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208931249 1371951060 /nfs/dbraw/zinc/95/10/60/1371951060.db2.gz IPTKQWIKIONRDC-UXHICEINSA-N 2 1 334.479 3.085 20 0 EGADMP O[C@]1(CF)CCCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208931249 1371951061 /nfs/dbraw/zinc/95/10/61/1371951061.db2.gz IPTKQWIKIONRDC-UXHICEINSA-N 2 1 334.479 3.085 20 0 EGADMP CCCC[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208938440 1371955196 /nfs/dbraw/zinc/95/51/96/1371955196.db2.gz ZIEHYSNIPWHECJ-OAQYLSRUSA-N 2 1 329.532 3.316 20 0 EGADMP CCOCC[NH+](CCOCC)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208941039 1371955666 /nfs/dbraw/zinc/95/56/66/1371955666.db2.gz WSWSHKYNVNMVES-OAQYLSRUSA-N 2 1 348.531 3.274 20 0 EGADMP CCOCC[NH+](CCOCC)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208941039 1371955667 /nfs/dbraw/zinc/95/56/67/1371955667.db2.gz WSWSHKYNVNMVES-OAQYLSRUSA-N 2 1 348.531 3.274 20 0 EGADMP CCOCC[NH+](CCOCC)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208941032 1371956373 /nfs/dbraw/zinc/95/63/73/1371956373.db2.gz WSWSHKYNVNMVES-NRFANRHFSA-N 2 1 348.531 3.274 20 0 EGADMP CCOCC[NH+](CCOCC)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208941032 1371956374 /nfs/dbraw/zinc/95/63/74/1371956374.db2.gz WSWSHKYNVNMVES-NRFANRHFSA-N 2 1 348.531 3.274 20 0 EGADMP CCCCOC(=O)[C@H]1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208962970 1371963370 /nfs/dbraw/zinc/96/33/70/1371963370.db2.gz NBMLNSJYBBZATL-UXHICEINSA-N 2 1 344.499 3.174 20 0 EGADMP CCCCOC(=O)[C@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208962970 1371963372 /nfs/dbraw/zinc/96/33/72/1371963372.db2.gz NBMLNSJYBBZATL-UXHICEINSA-N 2 1 344.499 3.174 20 0 EGADMP CCCCOC(=O)[C@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208962970 1371963374 /nfs/dbraw/zinc/96/33/74/1371963374.db2.gz NBMLNSJYBBZATL-UXHICEINSA-N 2 1 344.499 3.174 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CCC(C)C)C3)C1 ZINC001121616980 1372027118 /nfs/dbraw/zinc/02/71/18/1372027118.db2.gz QZEWGLCWQRLKNH-PMRGXDQWSA-N 2 1 349.563 3.172 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001209250722 1372051141 /nfs/dbraw/zinc/05/11/41/1372051141.db2.gz IMVDPNTWYZTOFA-UIHLLAOXSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)(C)OC(=O)NCCCCCCN1CCC[N@H+]2CCC[C@H]2C1 ZINC001209357390 1372076517 /nfs/dbraw/zinc/07/65/17/1372076517.db2.gz NYPOAKRHWDMMDY-KRWDZBQOSA-N 2 1 339.524 3.242 20 0 EGADMP CCC[N@@H+](CCCCCNC(=O)OC(C)(C)C)CCC[NH+](C)C ZINC001209374950 1372081182 /nfs/dbraw/zinc/08/11/82/1372081182.db2.gz GTCMSWPKKFVHHY-UHFFFAOYSA-N 2 1 329.529 3.345 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C[C@@H]3C[C@@H](C)O[C@@H](C)C3)C2)C1 ZINC001209381921 1372084749 /nfs/dbraw/zinc/08/47/49/1372084749.db2.gz PZKRDOAXPACZGJ-IYWMVGAKSA-N 2 1 338.536 3.013 20 0 EGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C[C@@H]3C[C@@H](C)O[C@@H](C)C3)C2)C1 ZINC001209381921 1372084752 /nfs/dbraw/zinc/08/47/52/1372084752.db2.gz PZKRDOAXPACZGJ-IYWMVGAKSA-N 2 1 338.536 3.013 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C[C@@H]3C[C@@H](C)O[C@@H](C)C3)C2)C1 ZINC001209381921 1372084756 /nfs/dbraw/zinc/08/47/56/1372084756.db2.gz PZKRDOAXPACZGJ-IYWMVGAKSA-N 2 1 338.536 3.013 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C[C@@H]3C[C@@H](C)O[C@@H](C)C3)C2)C1 ZINC001209381921 1372084758 /nfs/dbraw/zinc/08/47/58/1372084758.db2.gz PZKRDOAXPACZGJ-IYWMVGAKSA-N 2 1 338.536 3.013 20 0 EGADMP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001121848932 1372101121 /nfs/dbraw/zinc/10/11/21/1372101121.db2.gz TVCFHNXOHVIJEM-AKJOHPPZSA-N 2 1 346.519 3.070 20 0 EGADMP O=C1CC2(CC[NH+](CCC[NH+]3CCCCC3)CC2)c2ccccc2N1 ZINC001209450110 1372109162 /nfs/dbraw/zinc/10/91/62/1372109162.db2.gz JBSCMVJJDLMYPY-UHFFFAOYSA-N 2 1 341.499 3.238 20 0 EGADMP COC(=O)c1cccc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC001209454771 1372110338 /nfs/dbraw/zinc/11/03/38/1372110338.db2.gz UBZRGFNJNJTJEQ-LJQANCHMSA-N 2 1 330.472 3.486 20 0 EGADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)c1 ZINC001209454771 1372110344 /nfs/dbraw/zinc/11/03/44/1372110344.db2.gz UBZRGFNJNJTJEQ-LJQANCHMSA-N 2 1 330.472 3.486 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001121895609 1372117167 /nfs/dbraw/zinc/11/71/67/1372117167.db2.gz GDYDTUQSJQSUMW-FAFJLIIVSA-N 2 1 347.547 3.211 20 0 EGADMP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H](C)Cc3cnc[nH]3)C2)C1 ZINC001121897321 1372117551 /nfs/dbraw/zinc/11/75/51/1372117551.db2.gz YQZXSDGHHMNOHZ-WIOLVWRCSA-N 2 1 346.519 3.186 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCC(C)C)C[C@H]1C ZINC001209566112 1372138167 /nfs/dbraw/zinc/13/81/67/1372138167.db2.gz OJOGJKAQDDJNAN-RTBURBONSA-N 2 1 339.568 3.371 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1C ZINC001209566112 1372138169 /nfs/dbraw/zinc/13/81/69/1372138169.db2.gz OJOGJKAQDDJNAN-RTBURBONSA-N 2 1 339.568 3.371 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001209566112 1372138173 /nfs/dbraw/zinc/13/81/73/1372138173.db2.gz OJOGJKAQDDJNAN-RTBURBONSA-N 2 1 339.568 3.371 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccc2[nH]cc(Cl)c21 ZINC001209655458 1372162099 /nfs/dbraw/zinc/16/20/99/1372162099.db2.gz QLZKJIWSQGOYFE-ZWKOTPCHSA-N 2 1 346.906 3.032 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NC2CC3(C2)CC([NH2+]CCCC(C)(C)C)C3)C1 ZINC001122056822 1372164422 /nfs/dbraw/zinc/16/44/22/1372164422.db2.gz SDWRCWRKFMGYLJ-KZYAKZRFSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)(C)CCC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001209660202 1372164416 /nfs/dbraw/zinc/16/44/16/1372164416.db2.gz OJGUNCRWQPCHBW-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]C[C@H](C)CC(C)C)C2 ZINC001122106865 1372175764 /nfs/dbraw/zinc/17/57/64/1372175764.db2.gz SVUWFCGCJFPKIZ-UFQJCFOOSA-N 2 1 337.552 3.027 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001210181923 1372290156 /nfs/dbraw/zinc/29/01/56/1372290156.db2.gz FXLNVALVRSGRAB-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP Cc1nc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(Cl)cc1Cl ZINC001210261959 1372308320 /nfs/dbraw/zinc/30/83/20/1372308320.db2.gz KYRBBHUYBSESER-UHFFFAOYSA-N 2 1 338.242 3.245 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426764 1372350785 /nfs/dbraw/zinc/35/07/85/1372350785.db2.gz KPRHFCQQMDHFAC-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001210493279 1372366139 /nfs/dbraw/zinc/36/61/39/1372366139.db2.gz KUEAIKBTNGGQFY-HXUWFJFHSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](CC)c2ccc(F)cc2)C[C@H]1C ZINC001210529119 1372372391 /nfs/dbraw/zinc/37/23/91/1372372391.db2.gz QOMTZANNYINUIZ-LZQZEXGQSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)c2ccc(F)cc2)C[C@H]1C ZINC001210529119 1372372393 /nfs/dbraw/zinc/37/23/93/1372372393.db2.gz QOMTZANNYINUIZ-LZQZEXGQSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](CC)c2ccc(F)cc2)C[C@H]1C ZINC001210529119 1372372398 /nfs/dbraw/zinc/37/23/98/1372372398.db2.gz QOMTZANNYINUIZ-LZQZEXGQSA-N 2 1 349.494 3.055 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC=C(C)C)C1 ZINC001210586529 1372385096 /nfs/dbraw/zinc/38/50/96/1372385096.db2.gz XVYBFZNFNZMTKH-OALUTQOASA-N 2 1 335.536 3.188 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001211256513 1372513668 /nfs/dbraw/zinc/51/36/68/1372513668.db2.gz HXQHTUUSRXWNHN-LXORQPIJSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001211257585 1372514657 /nfs/dbraw/zinc/51/46/57/1372514657.db2.gz UASWCXUWTSBIKM-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCCCF)C1)c1ccccc1 ZINC001211269262 1372517370 /nfs/dbraw/zinc/51/73/70/1372517370.db2.gz OBNNVXJYMNNLHX-RBUKOAKNSA-N 2 1 349.494 3.010 20 0 EGADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444046 1372559941 /nfs/dbraw/zinc/55/99/41/1372559941.db2.gz LRAXRMCKDGDETG-UYAOXDASSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(F)cc(F)c2F)no1 ZINC001212142326 1372663335 /nfs/dbraw/zinc/66/33/35/1372663335.db2.gz HXHBHQPYMNUPPJ-ZDUSSCGKSA-N 2 1 342.365 3.322 20 0 EGADMP C[NH+]1CCN(c2cccc(Nc3ccc4c(c3)C[N@H+](C)CC4)c2)CC1 ZINC001212717120 1372760602 /nfs/dbraw/zinc/76/06/02/1372760602.db2.gz NZGPGGHMRDRCLM-UHFFFAOYSA-N 2 1 336.483 3.170 20 0 EGADMP CCc1ccc(C)[nH+]c1Nc1ccc(N2CC[NH+](C)CC2)cc1OC ZINC001213537294 1372922345 /nfs/dbraw/zinc/92/23/45/1372922345.db2.gz ZHGJQFPDFAZYGJ-UHFFFAOYSA-N 2 1 340.471 3.456 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001214661795 1373098759 /nfs/dbraw/zinc/09/87/59/1373098759.db2.gz DTHVWDCPUIKWJX-OCXQYPQTSA-N 2 1 346.519 3.189 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCC2)C1 ZINC001214853300 1373130044 /nfs/dbraw/zinc/13/00/44/1373130044.db2.gz XZHZKBSGOBTTFB-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP O=C(NCC[NH2+]CCC1CCCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129429523 1373383125 /nfs/dbraw/zinc/38/31/25/1373383125.db2.gz HMXUKLPHVRJHPI-LJQANCHMSA-N 2 1 335.536 3.070 20 0 EGADMP O=C(NCC[NH2+]CC1CCCCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129429692 1373383323 /nfs/dbraw/zinc/38/33/23/1373383323.db2.gz JZJMNDXKSGBJLW-IBGZPJMESA-N 2 1 335.536 3.070 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130189315 1373472113 /nfs/dbraw/zinc/47/21/13/1373472113.db2.gz NVOLXKFEMRXNSZ-ICSRJNTNSA-N 2 1 343.515 3.033 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205741 1388264214 /nfs/dbraw/zinc/26/42/14/1388264214.db2.gz VOTJQJGFHGJXPJ-SLFFLAALSA-N 2 1 349.563 3.362 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001188205741 1388264219 /nfs/dbraw/zinc/26/42/19/1388264219.db2.gz VOTJQJGFHGJXPJ-SLFFLAALSA-N 2 1 349.563 3.362 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001188205741 1388264224 /nfs/dbraw/zinc/26/42/24/1388264224.db2.gz VOTJQJGFHGJXPJ-SLFFLAALSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C)[C@H]([NH2+]C)c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217723002 1373495637 /nfs/dbraw/zinc/49/56/37/1373495637.db2.gz KOPKPMSHVUUTKT-XIRDDKMYSA-N 2 1 328.460 3.366 20 0 EGADMP c1ccc(C(c2ccccc2)[NH+]2CC(OCC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC001217825912 1373504862 /nfs/dbraw/zinc/50/48/62/1373504862.db2.gz AEEXEBDGOFLLIC-SFHVURJKSA-N 2 1 336.479 3.476 20 0 EGADMP Cc1ccc(C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)cc1C ZINC001130622635 1373571792 /nfs/dbraw/zinc/57/17/92/1373571792.db2.gz SHJBJCAWCQFRFV-UHFFFAOYSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001221544520 1373779440 /nfs/dbraw/zinc/77/94/40/1373779440.db2.gz XZKCIOYLOXDQMY-CEXWTWQISA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001221544520 1373779447 /nfs/dbraw/zinc/77/94/47/1373779447.db2.gz XZKCIOYLOXDQMY-CEXWTWQISA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001221544520 1373779457 /nfs/dbraw/zinc/77/94/57/1373779457.db2.gz XZKCIOYLOXDQMY-CEXWTWQISA-N 2 1 349.563 3.218 20 0 EGADMP c1ccc(C2(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)CCOCC2)cc1 ZINC001222385140 1373831925 /nfs/dbraw/zinc/83/19/25/1373831925.db2.gz GPKAMPUATIPFGX-NRFANRHFSA-N 2 1 328.500 3.343 20 0 EGADMP c1ccc(C2(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)CCOCC2)cc1 ZINC001222385140 1373831931 /nfs/dbraw/zinc/83/19/31/1373831931.db2.gz GPKAMPUATIPFGX-NRFANRHFSA-N 2 1 328.500 3.343 20 0 EGADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385074 1373832141 /nfs/dbraw/zinc/83/21/41/1373832141.db2.gz FFZWKRLANCCPOF-OXJNMPFZSA-N 2 1 330.472 3.202 20 0 EGADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385074 1373832146 /nfs/dbraw/zinc/83/21/46/1373832146.db2.gz FFZWKRLANCCPOF-OXJNMPFZSA-N 2 1 330.472 3.202 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCc2ncc[nH]2)C[N@H+]1CCC1CCCCC1 ZINC001132024968 1375104163 /nfs/dbraw/zinc/10/41/63/1375104163.db2.gz KWEYYDCXNHOVLS-AEFFLSMTSA-N 2 1 346.519 3.282 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCCC1CCC1 ZINC001132105645 1375149816 /nfs/dbraw/zinc/14/98/16/1375149816.db2.gz KQDIDVZQDUEPPB-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCCC1CCC1 ZINC001132105645 1375149818 /nfs/dbraw/zinc/14/98/18/1375149818.db2.gz KQDIDVZQDUEPPB-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCCC1CCC1 ZINC001132105645 1375149821 /nfs/dbraw/zinc/14/98/21/1375149821.db2.gz KQDIDVZQDUEPPB-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)CC[C@H]2C)cs1 ZINC001132106187 1375151057 /nfs/dbraw/zinc/15/10/57/1375151057.db2.gz QXRHBOSYNZDJIQ-PBHICJAKSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)CC[C@H]2C)cs1 ZINC001132106187 1375151060 /nfs/dbraw/zinc/15/10/60/1375151060.db2.gz QXRHBOSYNZDJIQ-PBHICJAKSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)CC[C@H]2C)cs1 ZINC001132106187 1375151062 /nfs/dbraw/zinc/15/10/62/1375151062.db2.gz QXRHBOSYNZDJIQ-PBHICJAKSA-N 2 1 349.544 3.010 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCCC1CCCC1 ZINC001132107539 1375151545 /nfs/dbraw/zinc/15/15/45/1375151545.db2.gz ZZXORDRBPMFWTM-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132157563 1375176496 /nfs/dbraw/zinc/17/64/96/1375176496.db2.gz QUNDDMVMEHHXMU-DOTOQJQBSA-N 2 1 328.460 3.107 20 0 EGADMP CCCCC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001132264745 1375254882 /nfs/dbraw/zinc/25/48/82/1375254882.db2.gz BAHMCKDHRPDRJW-NVXWUHKLSA-N 2 1 335.492 3.114 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001132264745 1375254888 /nfs/dbraw/zinc/25/48/88/1375254888.db2.gz BAHMCKDHRPDRJW-NVXWUHKLSA-N 2 1 335.492 3.114 20 0 EGADMP Cc1cccc(C)c1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132266677 1375255555 /nfs/dbraw/zinc/25/55/55/1375255555.db2.gz YODQZOGITAZYRV-OALUTQOASA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CCC1=CCCCC1 ZINC001132268715 1375256305 /nfs/dbraw/zinc/25/63/05/1375256305.db2.gz AWLIFOIUIZMTDN-PKOBYXMFSA-N 2 1 335.536 3.188 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CCC1CCCCC1 ZINC001132269660 1375257991 /nfs/dbraw/zinc/25/79/91/1375257991.db2.gz NINXXBXUGVAOSE-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132309579 1375286492 /nfs/dbraw/zinc/28/64/92/1375286492.db2.gz AAETUYJADPGPMD-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132309579 1375286498 /nfs/dbraw/zinc/28/64/98/1375286498.db2.gz AAETUYJADPGPMD-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309768 1375287920 /nfs/dbraw/zinc/28/79/20/1375287920.db2.gz DDJFLPLXRZQBIX-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CCCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309768 1375287927 /nfs/dbraw/zinc/28/79/27/1375287927.db2.gz DDJFLPLXRZQBIX-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CCCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309768 1375287935 /nfs/dbraw/zinc/28/79/35/1375287935.db2.gz DDJFLPLXRZQBIX-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@H+]1CC1CCCC1 ZINC001132311846 1375290288 /nfs/dbraw/zinc/29/02/88/1375290288.db2.gz YZXGMRXMQZKEEK-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[NH+]1CC1CCCC1 ZINC001132311846 1375290291 /nfs/dbraw/zinc/29/02/91/1375290291.db2.gz YZXGMRXMQZKEEK-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[NH+]1CC1CCCC1 ZINC001132311846 1375290295 /nfs/dbraw/zinc/29/02/95/1375290295.db2.gz YZXGMRXMQZKEEK-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132332007 1375311990 /nfs/dbraw/zinc/31/19/90/1375311990.db2.gz QWALPIPZGASLIR-ZWKOTPCHSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132332007 1375311995 /nfs/dbraw/zinc/31/19/95/1375311995.db2.gz QWALPIPZGASLIR-ZWKOTPCHSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132336098 1375316366 /nfs/dbraw/zinc/31/63/66/1375316366.db2.gz ZPDSWSZIKXZMBN-ROUUACIJSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132336098 1375316372 /nfs/dbraw/zinc/31/63/72/1375316372.db2.gz ZPDSWSZIKXZMBN-ROUUACIJSA-N 2 1 348.535 3.412 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1Cc1ccccc1F ZINC001132432055 1375376874 /nfs/dbraw/zinc/37/68/74/1375376874.db2.gz AXKDPMOEPSOMQT-AEFFLSMTSA-N 2 1 349.494 3.027 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1Cc1ccccc1F ZINC001132432059 1375377656 /nfs/dbraw/zinc/37/76/56/1375377656.db2.gz AXKDPMOEPSOMQT-WMZOPIPTSA-N 2 1 349.494 3.027 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CCCC1CCC1 ZINC001132434606 1375380224 /nfs/dbraw/zinc/38/02/24/1375380224.db2.gz ZFPFMBJBFCTJHI-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cccc(C)c2)C1 ZINC001132436266 1375381293 /nfs/dbraw/zinc/38/12/93/1375381293.db2.gz JRPYDWZHMIVVAT-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(C)c2)C1 ZINC001132436266 1375381299 /nfs/dbraw/zinc/38/12/99/1375381299.db2.gz JRPYDWZHMIVVAT-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(C)c2)C1 ZINC001132436266 1375381303 /nfs/dbraw/zinc/38/13/03/1375381303.db2.gz JRPYDWZHMIVVAT-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CCC(C)(C)C ZINC001132436721 1375381816 /nfs/dbraw/zinc/38/18/16/1375381816.db2.gz NCZXRIGTOXJJEY-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001227150356 1375397860 /nfs/dbraw/zinc/39/78/60/1375397860.db2.gz OYVSVEMYKQUYRW-QZTJIDSGSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1Cc1ccsc1 ZINC001132517404 1375435885 /nfs/dbraw/zinc/43/58/85/1375435885.db2.gz BXNHLDJGTHUTJN-SJLPKXTDSA-N 2 1 349.544 3.093 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CC1=CCCCC1 ZINC001132517407 1375436128 /nfs/dbraw/zinc/43/61/28/1375436128.db2.gz CATLTMLDJKBTAV-ICSRJNTNSA-N 2 1 347.547 3.332 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CCC1CCCC1 ZINC001132519188 1375437387 /nfs/dbraw/zinc/43/73/87/1375437387.db2.gz UWUWVEYWKKBQJV-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC001228066953 1375515275 /nfs/dbraw/zinc/51/52/75/1375515275.db2.gz ZJLFAWMLWOBHHE-UHFFFAOYSA-N 2 1 345.531 3.114 20 0 EGADMP O=C(NCC[NH2+]CC1CC2(CCC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132795732 1375568419 /nfs/dbraw/zinc/56/84/19/1375568419.db2.gz XCNSMYIAXCHYOQ-LJQANCHMSA-N 2 1 347.547 3.070 20 0 EGADMP C[C@@H](C[NH+]1CCOCC1)Oc1ccc2ccccc2c1C[NH+](C)C ZINC001228442625 1375573033 /nfs/dbraw/zinc/57/30/33/1375573033.db2.gz UNZYLQIAJQOWJY-INIZCTEOSA-N 2 1 328.456 3.001 20 0 EGADMP CC[N@@H+]1CCC[C@@H](Oc2ccc(Br)c(C[NH+](C)C)c2)C1 ZINC001228545906 1375593968 /nfs/dbraw/zinc/59/39/68/1375593968.db2.gz PJWLUTAZEIBDQS-OAHLLOKOSA-N 2 1 341.293 3.374 20 0 EGADMP CC[N@H+]1CCC[C@@H](Oc2ccc(Br)c(C[NH+](C)C)c2)C1 ZINC001228545906 1375593972 /nfs/dbraw/zinc/59/39/72/1375593972.db2.gz PJWLUTAZEIBDQS-OAHLLOKOSA-N 2 1 341.293 3.374 20 0 EGADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001132887208 1375625825 /nfs/dbraw/zinc/62/58/25/1375625825.db2.gz CUFVKUMMPGHBEN-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001132938607 1375658197 /nfs/dbraw/zinc/65/81/97/1375658197.db2.gz WJZUUCRZDFBRDI-SJORKVTESA-N 2 1 339.568 3.227 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCC(C)C)C1 ZINC001132938669 1375658754 /nfs/dbraw/zinc/65/87/54/1375658754.db2.gz XXLYDPCQQMQPTG-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132941212 1375660716 /nfs/dbraw/zinc/66/07/16/1375660716.db2.gz HZCQAIYHJSGSIV-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001228932310 1375718891 /nfs/dbraw/zinc/71/88/91/1375718891.db2.gz NNVARFMBCWZONR-QRVBRYPASA-N 2 1 337.552 3.312 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001327141406 1388398684 /nfs/dbraw/zinc/39/86/84/1388398684.db2.gz DMBSCDSLGHXVRQ-GOSISDBHSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001327141406 1388398689 /nfs/dbraw/zinc/39/86/89/1388398689.db2.gz DMBSCDSLGHXVRQ-GOSISDBHSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001327141406 1388398694 /nfs/dbraw/zinc/39/86/94/1388398694.db2.gz DMBSCDSLGHXVRQ-GOSISDBHSA-N 2 1 337.552 3.412 20 0 EGADMP CC(C)C[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133147982 1375808050 /nfs/dbraw/zinc/80/80/50/1375808050.db2.gz ZKQQOJOISCAWDM-MSOLQXFVSA-N 2 1 348.535 3.127 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C)c1 ZINC001229837711 1375901556 /nfs/dbraw/zinc/90/15/56/1375901556.db2.gz OOPFXNJIMGZNQI-WOJBJXKFSA-N 2 1 345.531 3.244 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CCC ZINC001229852719 1375904438 /nfs/dbraw/zinc/90/44/38/1375904438.db2.gz KHSOAQCNCJTYBH-YZBXUTEPSA-N 2 1 337.552 3.482 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1C ZINC001229859863 1375905447 /nfs/dbraw/zinc/90/54/47/1375905447.db2.gz GCTRJCFKTJMROF-MISYRCLQSA-N 2 1 345.531 3.415 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001229868817 1375908914 /nfs/dbraw/zinc/90/89/14/1375908914.db2.gz PJRJGUNDFXJKJH-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CC2)CC1)[NH+](CC)CC ZINC001230598257 1376093559 /nfs/dbraw/zinc/09/35/59/1376093559.db2.gz JEHDFUDFDPQRLH-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001230598438 1376093993 /nfs/dbraw/zinc/09/39/93/1376093993.db2.gz OOHOJNISDDNKMC-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001230598438 1376094000 /nfs/dbraw/zinc/09/40/00/1376094000.db2.gz OOHOJNISDDNKMC-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001230598438 1376094003 /nfs/dbraw/zinc/09/40/03/1376094003.db2.gz OOHOJNISDDNKMC-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230631115 1376108744 /nfs/dbraw/zinc/10/87/44/1376108744.db2.gz XKPPBXYFISOSCO-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001230631115 1376108754 /nfs/dbraw/zinc/10/87/54/1376108754.db2.gz XKPPBXYFISOSCO-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230631115 1376108767 /nfs/dbraw/zinc/10/87/67/1376108767.db2.gz XKPPBXYFISOSCO-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+]2CC2CCCC2)CC1 ZINC001230630745 1376108869 /nfs/dbraw/zinc/10/88/69/1376108869.db2.gz UMELITPLDLQOOI-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CCCC2)CC1 ZINC001230630745 1376108874 /nfs/dbraw/zinc/10/88/74/1376108874.db2.gz UMELITPLDLQOOI-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC2CCCC2)CC1 ZINC001230630745 1376108876 /nfs/dbraw/zinc/10/88/76/1376108876.db2.gz UMELITPLDLQOOI-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP c1c2c[nH+]ccc2[nH]c1C[NH+]1CCN(c2nccc3ccccc32)CC1 ZINC001232013486 1376382868 /nfs/dbraw/zinc/38/28/68/1376382868.db2.gz AGIWGMOVDZHPCZ-UHFFFAOYSA-N 2 1 343.434 3.433 20 0 EGADMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3C3CCCCC3)cn2)CC1 ZINC001232360990 1376449173 /nfs/dbraw/zinc/44/91/73/1376449173.db2.gz BJWXIZBPHVULKQ-HXUWFJFHSA-N 2 1 342.531 3.378 20 0 EGADMP CCCn1cnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1 ZINC001232795852 1376515780 /nfs/dbraw/zinc/51/57/80/1376515780.db2.gz QYFIGURJYRSOSQ-UHFFFAOYSA-N 2 1 342.487 3.374 20 0 EGADMP CCc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001134608033 1376622532 /nfs/dbraw/zinc/62/25/32/1376622532.db2.gz PRTYWHUNLDZRKD-IRXDYDNUSA-N 2 1 345.531 3.106 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC/C=C/c1ccccc1 ZINC001134766779 1376710387 /nfs/dbraw/zinc/71/03/87/1376710387.db2.gz LZRVNVGDPGISEP-YLZBSDIZSA-N 2 1 343.515 3.059 20 0 EGADMP CN(CCC[N@@H+](C)C/C=C/Cl)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001327239361 1388459287 /nfs/dbraw/zinc/45/92/87/1388459287.db2.gz NEMSDPGUMGZYPA-XYOKQWHBSA-N 2 1 343.943 3.031 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21)[NH+](CC)CC ZINC001189110219 1388459743 /nfs/dbraw/zinc/45/97/43/1388459743.db2.gz NIPQGDOZEMAFAE-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21)[NH+](CC)CC ZINC001189111247 1388461304 /nfs/dbraw/zinc/46/13/04/1388461304.db2.gz XTOCBTCHEDJCKU-RCCFBDPRSA-N 2 1 337.552 3.076 20 0 EGADMP Nc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235043856 1376840767 /nfs/dbraw/zinc/84/07/67/1376840767.db2.gz IBQONDGPSRUGNF-MRXNPFEDSA-N 2 1 343.393 3.276 20 0 EGADMP Nc1ccc(OC(F)(F)F)cc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235043856 1376840772 /nfs/dbraw/zinc/84/07/72/1376840772.db2.gz IBQONDGPSRUGNF-MRXNPFEDSA-N 2 1 343.393 3.276 20 0 EGADMP CN(C[C@H]1CC[N@@H+]1CCCC(C)(C)C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001235338114 1376868893 /nfs/dbraw/zinc/86/88/93/1376868893.db2.gz UNIMNYNKSWCGEA-SJORKVTESA-N 2 1 346.519 3.120 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCCC(C)(C)C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001235338114 1376868896 /nfs/dbraw/zinc/86/88/96/1376868896.db2.gz UNIMNYNKSWCGEA-SJORKVTESA-N 2 1 346.519 3.120 20 0 EGADMP Fc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c(F)c1F ZINC001235428563 1376870662 /nfs/dbraw/zinc/87/06/62/1376870662.db2.gz QQHCDAKDWFDFCN-RYUDHWBXSA-N 2 1 330.369 3.455 20 0 EGADMP Fc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c(F)c1F ZINC001235428563 1376870669 /nfs/dbraw/zinc/87/06/69/1376870669.db2.gz QQHCDAKDWFDFCN-RYUDHWBXSA-N 2 1 330.369 3.455 20 0 EGADMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCCC1)[NH+](C)C ZINC001235588523 1376876165 /nfs/dbraw/zinc/87/61/65/1376876165.db2.gz KPRWNNYQNBPWLT-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135077597 1376882703 /nfs/dbraw/zinc/88/27/03/1376882703.db2.gz PYCJJQQSNJKQDQ-QZTJIDSGSA-N 2 1 337.552 3.480 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1)[NH2+]C/C=C/Cl ZINC001135078124 1376882995 /nfs/dbraw/zinc/88/29/95/1376882995.db2.gz ZFRLSKBQBCYJFH-KBSQKKJPSA-N 2 1 343.943 3.266 20 0 EGADMP C[N@@H+](Cc1cccc(N2CC[NH2+]CC2)c1)Cc1cccc2cccnc21 ZINC001235726625 1376887120 /nfs/dbraw/zinc/88/71/20/1376887120.db2.gz NQZUCGDKUMUBCL-UHFFFAOYSA-N 2 1 346.478 3.276 20 0 EGADMP [NH3+]Cc1cccc(CN2CC[C@@]3(CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001236181861 1376939240 /nfs/dbraw/zinc/93/92/40/1376939240.db2.gz KMLBXPMLGHEAJR-QFIPXVFZSA-N 2 1 335.495 3.386 20 0 EGADMP [NH3+]Cc1cccc(C[N@@H+]2CC[C@@]3(CCCN3Cc3ccccc3)C2)c1 ZINC001236181861 1376939253 /nfs/dbraw/zinc/93/92/53/1376939253.db2.gz KMLBXPMLGHEAJR-QFIPXVFZSA-N 2 1 335.495 3.386 20 0 EGADMP [NH3+]Cc1cccc(C[N@H+]2CC[C@@]3(CCCN3Cc3ccccc3)C2)c1 ZINC001236181861 1376939259 /nfs/dbraw/zinc/93/92/59/1376939259.db2.gz KMLBXPMLGHEAJR-QFIPXVFZSA-N 2 1 335.495 3.386 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccc5c(c4)C[NH2+]C5)C[C@H]3C2)cc1 ZINC001236182937 1376939446 /nfs/dbraw/zinc/93/94/46/1376939446.db2.gz AVPXNEDUJCICCL-GMAHTHKFSA-N 2 1 347.506 3.244 20 0 EGADMP CCOc1cc(Br)cc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c1 ZINC001236227298 1376943517 /nfs/dbraw/zinc/94/35/17/1376943517.db2.gz BOXBNWIOJGGHTP-UHFFFAOYSA-N 2 1 341.293 3.422 20 0 EGADMP c1ccc(C2(N3CC[NH+](Cc4ccc5c(c4)CC[NH2+]C5)CC3)CC2)cc1 ZINC001236229627 1376943843 /nfs/dbraw/zinc/94/38/43/1376943843.db2.gz JRWJSIMEBCJKIY-UHFFFAOYSA-N 2 1 347.506 3.139 20 0 EGADMP CC[N@H+](Cc1cccc(F)c1F)Cc1ccccc1N1CC[NH2+]CC1 ZINC001236240263 1376945245 /nfs/dbraw/zinc/94/52/45/1376945245.db2.gz KGUNPYMVGSAZPK-UHFFFAOYSA-N 2 1 345.437 3.397 20 0 EGADMP CC[N@@H+](Cc1cccc(F)c1F)Cc1ccccc1N1CC[NH2+]CC1 ZINC001236240263 1376945250 /nfs/dbraw/zinc/94/52/50/1376945250.db2.gz KGUNPYMVGSAZPK-UHFFFAOYSA-N 2 1 345.437 3.397 20 0 EGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246545622 1377052089 /nfs/dbraw/zinc/05/20/89/1377052089.db2.gz WHTCKNZBRCMCJP-SJKOYZFVSA-N 2 1 346.849 3.115 20 0 EGADMP CC(C)(C)[C@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH2+]1 ZINC001246821065 1377055044 /nfs/dbraw/zinc/05/50/44/1377055044.db2.gz ICLMPKCWXDEFAJ-FUMNGEBKSA-N 2 1 327.516 3.112 20 0 EGADMP CC(C)(C)[C@H]1C[C@H](N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)CC[NH2+]1 ZINC001246821065 1377055048 /nfs/dbraw/zinc/05/50/48/1377055048.db2.gz ICLMPKCWXDEFAJ-FUMNGEBKSA-N 2 1 327.516 3.112 20 0 EGADMP CC(C)(C)[C@H]1C[C@H](N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)CC[NH2+]1 ZINC001246821065 1377055050 /nfs/dbraw/zinc/05/50/50/1377055050.db2.gz ICLMPKCWXDEFAJ-FUMNGEBKSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1CC[C@H]([NH3+])CN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246820007 1377055261 /nfs/dbraw/zinc/05/52/61/1377055261.db2.gz HIHNUXSCURNAEC-VLQCVTHLSA-N 2 1 327.516 3.384 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5n4CCC5)C[C@@H]3C2)cc1 ZINC001248821509 1377071362 /nfs/dbraw/zinc/07/13/62/1377071362.db2.gz CORWEQGAQYWTNN-PMACEKPBSA-N 2 1 335.495 3.307 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001252934527 1377093509 /nfs/dbraw/zinc/09/35/09/1377093509.db2.gz UWTINYFKBOKPLM-QFIPXVFZSA-N 2 1 338.495 3.454 20 0 EGADMP CC[N@H+](Cc1ccc(C)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252934527 1377093511 /nfs/dbraw/zinc/09/35/11/1377093511.db2.gz UWTINYFKBOKPLM-QFIPXVFZSA-N 2 1 338.495 3.454 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252934527 1377093512 /nfs/dbraw/zinc/09/35/12/1377093512.db2.gz UWTINYFKBOKPLM-QFIPXVFZSA-N 2 1 338.495 3.454 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC[C@@H]1CCC[C@H](C)C1 ZINC001135440308 1377098592 /nfs/dbraw/zinc/09/85/92/1377098592.db2.gz KXTFZHCRHYDZTM-OALUTQOASA-N 2 1 339.568 3.421 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001135441041 1377098785 /nfs/dbraw/zinc/09/87/85/1377098785.db2.gz YGTYBFADEPJYPB-MRXNPFEDSA-N 2 1 337.483 3.105 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135475555 1377110140 /nfs/dbraw/zinc/11/01/40/1377110140.db2.gz CEFMXAZREWEKSC-ZWKOTPCHSA-N 2 1 349.563 3.482 20 0 EGADMP CC(C)CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135476811 1377110891 /nfs/dbraw/zinc/11/08/91/1377110891.db2.gz MCGXTLBCCHOCGZ-DLBZAZTESA-N 2 1 325.541 3.027 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001266116334 1377194040 /nfs/dbraw/zinc/19/40/40/1377194040.db2.gz JLNGJBSJIPLWBU-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001135861145 1377238212 /nfs/dbraw/zinc/23/82/12/1377238212.db2.gz MTVAMDBZEYPEFT-LSDHHAIUSA-N 2 1 339.911 3.055 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC001135861486 1377238768 /nfs/dbraw/zinc/23/87/68/1377238768.db2.gz RSZMZUPPVHOFHW-KBPBESRZSA-N 2 1 339.549 3.080 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135974475 1377283445 /nfs/dbraw/zinc/28/34/45/1377283445.db2.gz PUMLREWVBKHZFW-MOPGFXCFSA-N 2 1 347.547 3.408 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001135977171 1377284544 /nfs/dbraw/zinc/28/45/44/1377284544.db2.gz QIRYJQJTCYXVJW-MOPGFXCFSA-N 2 1 347.547 3.327 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC/C=C\c1ccccc1 ZINC001135980478 1377286175 /nfs/dbraw/zinc/28/61/75/1377286175.db2.gz OSUXOVBGURDKHG-LZZACLKFSA-N 2 1 345.531 3.305 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CCCC1 ZINC001135995991 1377292262 /nfs/dbraw/zinc/29/22/62/1377292262.db2.gz PENXELNBNBIXLS-IAGOWNOFSA-N 2 1 325.541 3.172 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2)C1CCCCC1 ZINC001266373479 1377298557 /nfs/dbraw/zinc/29/85/57/1377298557.db2.gz DVSSPFCXRLYLDR-IBGZPJMESA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+](CC)CCN1CC[NH+](Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC001137708390 1377600980 /nfs/dbraw/zinc/60/09/80/1377600980.db2.gz RUOXCPISJUVXRD-UHFFFAOYSA-N 2 1 348.922 3.281 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C(=O)Nc2cccc3c2C[NH+](C2CC2)C3)C1 ZINC001137994211 1377661274 /nfs/dbraw/zinc/66/12/74/1377661274.db2.gz MYPQRDDYEMVBDQ-INIZCTEOSA-N 2 1 327.472 3.224 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)C1 ZINC001137994211 1377661280 /nfs/dbraw/zinc/66/12/80/1377661280.db2.gz MYPQRDDYEMVBDQ-INIZCTEOSA-N 2 1 327.472 3.224 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)C1 ZINC001137994211 1377661283 /nfs/dbraw/zinc/66/12/83/1377661283.db2.gz MYPQRDDYEMVBDQ-INIZCTEOSA-N 2 1 327.472 3.224 20 0 EGADMP COc1ccc(C)cc1C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001138486837 1377731631 /nfs/dbraw/zinc/73/16/31/1377731631.db2.gz SZRVIWJFSFZPIY-UHFFFAOYSA-N 2 1 325.456 3.446 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)cc1 ZINC001138542579 1377738532 /nfs/dbraw/zinc/73/85/32/1377738532.db2.gz FWQQPGLXYCVNQQ-FCHUYYIVSA-N 2 1 347.462 3.359 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)cc1 ZINC001138542579 1377738533 /nfs/dbraw/zinc/73/85/33/1377738533.db2.gz FWQQPGLXYCVNQQ-FCHUYYIVSA-N 2 1 347.462 3.359 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC3(C[C@@H](F)CO3)CC2)cc1 ZINC001138548767 1377740336 /nfs/dbraw/zinc/74/03/36/1377740336.db2.gz KOUHSAAYWMROPU-QGZVFWFLSA-N 2 1 329.419 3.274 20 0 EGADMP CCCn1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139041578 1377821296 /nfs/dbraw/zinc/82/12/96/1377821296.db2.gz LKLNNWWDUSNEDD-RTWAWAEBSA-N 2 1 338.499 3.247 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC001139064845 1377823695 /nfs/dbraw/zinc/82/36/95/1377823695.db2.gz MGCRXLQFJGYULK-UHFFFAOYSA-N 2 1 329.488 3.282 20 0 EGADMP COc1ccc(-c2ncc(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)s2)cc1 ZINC001139792620 1377951552 /nfs/dbraw/zinc/95/15/52/1377951552.db2.gz HBUUGKNIJSLFJI-CVEARBPZSA-N 2 1 343.496 3.202 20 0 EGADMP Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001139931859 1377979511 /nfs/dbraw/zinc/97/95/11/1377979511.db2.gz WNPDIHGZMHRCTC-UHFFFAOYSA-N 2 1 336.483 3.273 20 0 EGADMP Cn1ncc2cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)ccc21 ZINC001139951522 1377981386 /nfs/dbraw/zinc/98/13/86/1377981386.db2.gz YGBUOGIGQLTVFW-NHCUHLMSSA-N 2 1 346.478 3.137 20 0 EGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC001140143532 1378019362 /nfs/dbraw/zinc/01/93/62/1378019362.db2.gz MRKYYVDRPWLPSA-HXUWFJFHSA-N 2 1 339.483 3.310 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC001140143532 1378019367 /nfs/dbraw/zinc/01/93/67/1378019367.db2.gz MRKYYVDRPWLPSA-HXUWFJFHSA-N 2 1 339.483 3.310 20 0 EGADMP COc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c(C)c1 ZINC001140673980 1378110506 /nfs/dbraw/zinc/11/05/06/1378110506.db2.gz IODOSNRDSOVJQP-NRFANRHFSA-N 2 1 346.515 3.326 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c(C)c1 ZINC001140673980 1378110509 /nfs/dbraw/zinc/11/05/09/1378110509.db2.gz IODOSNRDSOVJQP-NRFANRHFSA-N 2 1 346.515 3.326 20 0 EGADMP COc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c(C)c1 ZINC001140673980 1378110511 /nfs/dbraw/zinc/11/05/11/1378110511.db2.gz IODOSNRDSOVJQP-NRFANRHFSA-N 2 1 346.515 3.326 20 0 EGADMP COc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c(C)c1 ZINC001140673980 1378110514 /nfs/dbraw/zinc/11/05/14/1378110514.db2.gz IODOSNRDSOVJQP-NRFANRHFSA-N 2 1 346.515 3.326 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCc1ccc2c(c1)C[N@H+](C(C)C)C2 ZINC001274035694 1378114178 /nfs/dbraw/zinc/11/41/78/1378114178.db2.gz JGORLHIUOXLCJX-UHFFFAOYSA-N 2 1 340.471 3.012 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCc1ccc2c(c1)C[N@@H+](C(C)C)C2 ZINC001274035694 1378114183 /nfs/dbraw/zinc/11/41/83/1378114183.db2.gz JGORLHIUOXLCJX-UHFFFAOYSA-N 2 1 340.471 3.012 20 0 EGADMP O=C1N[C@H](c2ccccc2)C12CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140803982 1378143181 /nfs/dbraw/zinc/14/31/81/1378143181.db2.gz YDTGSVIFMDPAHJ-LJQANCHMSA-N 2 1 346.434 3.016 20 0 EGADMP COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140805223 1378143371 /nfs/dbraw/zinc/14/33/71/1378143371.db2.gz WUWSDQXYRGCSJD-CQSZACIVSA-N 2 1 337.423 3.352 20 0 EGADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140805223 1378143375 /nfs/dbraw/zinc/14/33/75/1378143375.db2.gz WUWSDQXYRGCSJD-CQSZACIVSA-N 2 1 337.423 3.352 20 0 EGADMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1cc3ccccc3s1)C2 ZINC001276314159 1378170743 /nfs/dbraw/zinc/17/07/43/1378170743.db2.gz ARWYSYOUPZUMIQ-UHFFFAOYSA-N 2 1 343.540 3.361 20 0 EGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cccc(-c4cncnc4)c3)CC2)C1 ZINC001276336631 1378172065 /nfs/dbraw/zinc/17/20/65/1378172065.db2.gz OEMAQDIKEBIDPO-UHFFFAOYSA-N 2 1 336.483 3.451 20 0 EGADMP CN1CCC([N@@H+]2C[C@@H]3CC[NH+](CCCC(F)(F)F)CC[C@@H]3C2)CC1 ZINC001277624676 1378240231 /nfs/dbraw/zinc/24/02/31/1378240231.db2.gz GNXAAEUDZCSYCY-IYBDPMFKSA-N 2 1 347.469 3.067 20 0 EGADMP CN1CCC([NH+]2C[C@@H]3CC[N@@H+](CCCC(F)(F)F)CC[C@@H]3C2)CC1 ZINC001277624676 1378240236 /nfs/dbraw/zinc/24/02/36/1378240236.db2.gz GNXAAEUDZCSYCY-IYBDPMFKSA-N 2 1 347.469 3.067 20 0 EGADMP CN1CCC([NH+]2C[C@@H]3CC[N@H+](CCCC(F)(F)F)CC[C@@H]3C2)CC1 ZINC001277624676 1378240240 /nfs/dbraw/zinc/24/02/40/1378240240.db2.gz GNXAAEUDZCSYCY-IYBDPMFKSA-N 2 1 347.469 3.067 20 0 EGADMP C[NH+]1CCC([N@H+]2C[C@@H]3CC[NH+](CCCC(F)(F)F)CC[C@@H]3C2)CC1 ZINC001277624676 1378240266 /nfs/dbraw/zinc/24/02/66/1378240266.db2.gz GNXAAEUDZCSYCY-IYBDPMFKSA-N 3 1 347.469 3.067 20 0 EGADMP C[NH+]1CCC([N@@H+]2C[C@@H]3CC[NH+](CCCC(F)(F)F)CC[C@@H]3C2)CC1 ZINC001277624676 1378240272 /nfs/dbraw/zinc/24/02/72/1378240272.db2.gz GNXAAEUDZCSYCY-IYBDPMFKSA-N 3 1 347.469 3.067 20 0 EGADMP C[NH+]1CCC([NH+]2C[C@@H]3CC[N@@H+](CCCC(F)(F)F)CC[C@@H]3C2)CC1 ZINC001277624676 1378240273 /nfs/dbraw/zinc/24/02/73/1378240273.db2.gz GNXAAEUDZCSYCY-IYBDPMFKSA-N 3 1 347.469 3.067 20 0 EGADMP C[NH+]1CCC([NH+]2C[C@@H]3CC[N@H+](CCCC(F)(F)F)CC[C@@H]3C2)CC1 ZINC001277624676 1378240280 /nfs/dbraw/zinc/24/02/80/1378240280.db2.gz GNXAAEUDZCSYCY-IYBDPMFKSA-N 3 1 347.469 3.067 20 0 EGADMP COc1cc(C(F)(F)F)ccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001141609181 1378349931 /nfs/dbraw/zinc/34/99/31/1378349931.db2.gz ZXFXSIOLZCZQHK-UHFFFAOYSA-N 2 1 330.394 3.488 20 0 EGADMP CC1CC[NH+]([C@H](CNC(=O)C[N@@H+](C)C2CCC2)c2ccccc2)CC1 ZINC001142071874 1378410450 /nfs/dbraw/zinc/41/04/50/1378410450.db2.gz VTRDQRRATNJLDC-HXUWFJFHSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001142209847 1378420470 /nfs/dbraw/zinc/42/04/70/1378420470.db2.gz WQJKVYZTHCKPKP-HDICACEKSA-N 2 1 330.472 3.025 20 0 EGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001142209847 1378420471 /nfs/dbraw/zinc/42/04/71/1378420471.db2.gz WQJKVYZTHCKPKP-HDICACEKSA-N 2 1 330.472 3.025 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001142209847 1378420472 /nfs/dbraw/zinc/42/04/72/1378420472.db2.gz WQJKVYZTHCKPKP-HDICACEKSA-N 2 1 330.472 3.025 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001142209847 1378420473 /nfs/dbraw/zinc/42/04/73/1378420473.db2.gz WQJKVYZTHCKPKP-HDICACEKSA-N 2 1 330.472 3.025 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1(C)CCCCC1 ZINC001143140730 1378546127 /nfs/dbraw/zinc/54/61/27/1378546127.db2.gz VADPYTDBWBUBDM-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP c1[nH+]c(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c2ccccn12 ZINC001144624246 1378751981 /nfs/dbraw/zinc/75/19/81/1378751981.db2.gz ATHZBELBKWFUSN-QFIPXVFZSA-N 2 1 346.478 3.432 20 0 EGADMP c1[nH+]c(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c2ccccn12 ZINC001144624246 1378751985 /nfs/dbraw/zinc/75/19/85/1378751985.db2.gz ATHZBELBKWFUSN-QFIPXVFZSA-N 2 1 346.478 3.432 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001146602362 1378875504 /nfs/dbraw/zinc/87/55/04/1378875504.db2.gz SITYRBUWBOMEFF-SJORKVTESA-N 2 1 337.552 3.170 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CCC(C)(C)C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707258 1378904340 /nfs/dbraw/zinc/90/43/40/1378904340.db2.gz PTNNPZLMHZMASI-QZTJIDSGSA-N 2 1 347.547 3.428 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707258 1378904344 /nfs/dbraw/zinc/90/43/44/1378904344.db2.gz PTNNPZLMHZMASI-QZTJIDSGSA-N 2 1 347.547 3.428 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C/C=C\c1ccccc1 ZINC001147348162 1379007494 /nfs/dbraw/zinc/00/74/94/1379007494.db2.gz GCTMLRIESUEYLL-FNUUXAGOSA-N 2 1 343.515 3.060 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(CC)c1 ZINC001147359167 1379008714 /nfs/dbraw/zinc/00/87/14/1379008714.db2.gz MZIDORIPSQUDKJ-FQEVSTJZSA-N 2 1 345.531 3.109 20 0 EGADMP CC[N@H+]1Cc2ccc(CNC(=O)CC[NH+](C)C3CCCCC3)cc2C1 ZINC001327695266 1388584032 /nfs/dbraw/zinc/58/40/32/1388584032.db2.gz GDILDZIPWQUPSH-UHFFFAOYSA-N 2 1 343.515 3.293 20 0 EGADMP CC[NH+]1Cc2ccc(CNC(=O)CC[N@H+](C)C3CCCCC3)cc2C1 ZINC001327695266 1388584036 /nfs/dbraw/zinc/58/40/36/1388584036.db2.gz GDILDZIPWQUPSH-UHFFFAOYSA-N 2 1 343.515 3.293 20 0 EGADMP CC[NH+]1Cc2ccc(CNC(=O)CC[N@@H+](C)C3CCCCC3)cc2C1 ZINC001327695266 1388584040 /nfs/dbraw/zinc/58/40/40/1388584040.db2.gz GDILDZIPWQUPSH-UHFFFAOYSA-N 2 1 343.515 3.293 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001147836603 1379089405 /nfs/dbraw/zinc/08/94/05/1379089405.db2.gz ZPCUUHQTWZOOHE-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2 ZINC001147836603 1379089406 /nfs/dbraw/zinc/08/94/06/1379089406.db2.gz ZPCUUHQTWZOOHE-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](CCCC(C)(C)C)C2 ZINC001147836603 1379089407 /nfs/dbraw/zinc/08/94/07/1379089407.db2.gz ZPCUUHQTWZOOHE-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001147893530 1379098325 /nfs/dbraw/zinc/09/83/25/1379098325.db2.gz RFUKKAGSLULYGL-DLBZAZTESA-N 2 1 345.531 3.093 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148168317 1379127916 /nfs/dbraw/zinc/12/79/16/1379127916.db2.gz PTZOWBWJACGJBO-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCC1CCCC1)C2)[NH+](CC)CC ZINC001148286340 1379146266 /nfs/dbraw/zinc/14/62/66/1379146266.db2.gz WTOWPLITIUBOQB-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CCC1CCCCCC1)C2 ZINC001148651504 1379234233 /nfs/dbraw/zinc/23/42/33/1379234233.db2.gz HCSDOSASHBEPGY-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CCC1CCCCCC1)C2 ZINC001148651504 1379234236 /nfs/dbraw/zinc/23/42/36/1379234236.db2.gz HCSDOSASHBEPGY-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CCC1CCCCCC1)C2 ZINC001148651504 1379234240 /nfs/dbraw/zinc/23/42/40/1379234240.db2.gz HCSDOSASHBEPGY-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@H+]1CCCC1CCCC1 ZINC001284133124 1379518215 /nfs/dbraw/zinc/51/82/15/1379518215.db2.gz YZOVMRVNZMZCLF-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2cc(C)cc(C)c2)[C@H]1C ZINC001284152559 1379548052 /nfs/dbraw/zinc/54/80/52/1379548052.db2.gz IIDMBOXNATZAJR-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)cc(C)c2)[C@H]1C ZINC001284152559 1379548054 /nfs/dbraw/zinc/54/80/54/1379548054.db2.gz IIDMBOXNATZAJR-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2)[C@H]1C ZINC001284152559 1379548057 /nfs/dbraw/zinc/54/80/57/1379548057.db2.gz IIDMBOXNATZAJR-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152391831 1379926356 /nfs/dbraw/zinc/92/63/56/1379926356.db2.gz GQUSBCFOVXXBLM-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CCCCCC1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152391831 1379926363 /nfs/dbraw/zinc/92/63/63/1379926363.db2.gz GQUSBCFOVXXBLM-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CCCCCC1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152391831 1379926365 /nfs/dbraw/zinc/92/63/65/1379926365.db2.gz GQUSBCFOVXXBLM-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH2+][C@@H](C)c1ccccc1)C(C)(C)C ZINC001284641935 1380047704 /nfs/dbraw/zinc/04/77/04/1380047704.db2.gz BXCYODYHCDTYDY-FUHWJXTLSA-N 2 1 333.520 3.210 20 0 EGADMP CC[N@@H+](Cc1ccccc1F)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313421 1380054042 /nfs/dbraw/zinc/05/40/42/1380054042.db2.gz QIZXDAOJTXDUMV-VQIMIIECSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](Cc1ccccc1F)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153313421 1380054047 /nfs/dbraw/zinc/05/40/47/1380054047.db2.gz QIZXDAOJTXDUMV-VQIMIIECSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](Cc1ccccc1F)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153313421 1380054050 /nfs/dbraw/zinc/05/40/50/1380054050.db2.gz QIZXDAOJTXDUMV-VQIMIIECSA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](C/C=C\Cl)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677655 1380113287 /nfs/dbraw/zinc/11/32/87/1380113287.db2.gz LWIFHZFPAOUMQC-FWPCIQOSSA-N 2 1 343.924 3.002 20 0 EGADMP CC[N@@H+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153824168 1380137767 /nfs/dbraw/zinc/13/77/67/1380137767.db2.gz NGWWMWMBNOTRIA-GOSISDBHSA-N 2 1 345.531 3.114 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153880060 1380149193 /nfs/dbraw/zinc/14/91/93/1380149193.db2.gz VOPJTQXSRZPBMC-TYFAACHXSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153880060 1380149194 /nfs/dbraw/zinc/14/91/94/1380149194.db2.gz VOPJTQXSRZPBMC-TYFAACHXSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153880060 1380149195 /nfs/dbraw/zinc/14/91/95/1380149195.db2.gz VOPJTQXSRZPBMC-TYFAACHXSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990418 1380171511 /nfs/dbraw/zinc/17/15/11/1380171511.db2.gz DUKPCGGNOAEAFD-IHHMQQGQSA-N 2 1 349.563 3.435 20 0 EGADMP CC[N@@H+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154034203 1380187440 /nfs/dbraw/zinc/18/74/40/1380187440.db2.gz VODZNJUEPRZVIO-FDCNMECVSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154034203 1380187444 /nfs/dbraw/zinc/18/74/44/1380187444.db2.gz VODZNJUEPRZVIO-FDCNMECVSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154034203 1380187448 /nfs/dbraw/zinc/18/74/48/1380187448.db2.gz VODZNJUEPRZVIO-FDCNMECVSA-N 2 1 343.515 3.011 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001154083037 1380202220 /nfs/dbraw/zinc/20/22/20/1380202220.db2.gz CZMCJOKYXDOTHM-GOSISDBHSA-N 2 1 348.535 3.315 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116298 1380211864 /nfs/dbraw/zinc/21/18/64/1380211864.db2.gz GSJQVZNQYRVMMB-XITLMJRVSA-N 2 1 342.487 3.439 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178719 1380221899 /nfs/dbraw/zinc/22/18/99/1380221899.db2.gz NDPUCXGQVKADAP-OAHLLOKOSA-N 2 1 330.476 3.211 20 0 EGADMP CC[C@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154463976 1380282611 /nfs/dbraw/zinc/28/26/11/1380282611.db2.gz AIHCRHYMZKYYGH-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464760 1380283191 /nfs/dbraw/zinc/28/31/91/1380283191.db2.gz WTSKSONGNLYLEC-GOSISDBHSA-N 2 1 337.552 3.434 20 0 EGADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001154464760 1380283192 /nfs/dbraw/zinc/28/31/92/1380283192.db2.gz WTSKSONGNLYLEC-GOSISDBHSA-N 2 1 337.552 3.434 20 0 EGADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001154464760 1380283194 /nfs/dbraw/zinc/28/31/94/1380283194.db2.gz WTSKSONGNLYLEC-GOSISDBHSA-N 2 1 337.552 3.434 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263582 1380430206 /nfs/dbraw/zinc/43/02/06/1380430206.db2.gz RQNSKGVULLXVES-QGZVFWFLSA-N 2 1 337.552 3.291 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001155263582 1380430207 /nfs/dbraw/zinc/43/02/07/1380430207.db2.gz RQNSKGVULLXVES-QGZVFWFLSA-N 2 1 337.552 3.291 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001155263582 1380430209 /nfs/dbraw/zinc/43/02/09/1380430209.db2.gz RQNSKGVULLXVES-QGZVFWFLSA-N 2 1 337.552 3.291 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(Cl)s1)[NH+](C)C ZINC001155289173 1380434054 /nfs/dbraw/zinc/43/40/54/1380434054.db2.gz MRLLFIZNWYKZGE-OCCSQVGLSA-N 2 1 345.940 3.068 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001155813732 1380494336 /nfs/dbraw/zinc/49/43/36/1380494336.db2.gz UKPWMVYFCQVTGB-HXUWFJFHSA-N 2 1 343.515 3.034 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)NC[C@@H](C)[N@@H+](CC)CC[C@@H](C)F ZINC001156319193 1380557926 /nfs/dbraw/zinc/55/79/26/1380557926.db2.gz PUGQJGXLHOIBSX-QZTJIDSGSA-N 2 1 345.547 3.463 20 0 EGADMP CC[N@@H+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156889715 1380719531 /nfs/dbraw/zinc/71/95/31/1380719531.db2.gz CSOLSBXBYCCNQF-MJGOQNOKSA-N 2 1 345.531 3.088 20 0 EGADMP CC[NH+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156889715 1380719536 /nfs/dbraw/zinc/71/95/36/1380719536.db2.gz CSOLSBXBYCCNQF-MJGOQNOKSA-N 2 1 345.531 3.088 20 0 EGADMP CC[NH+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156889715 1380719545 /nfs/dbraw/zinc/71/95/45/1380719545.db2.gz CSOLSBXBYCCNQF-MJGOQNOKSA-N 2 1 345.531 3.088 20 0 EGADMP CC[N@@H+](Cc1cc2ccccc2o1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157109283 1380776955 /nfs/dbraw/zinc/77/69/55/1380776955.db2.gz LHVXHDKBSHOFDW-MRXNPFEDSA-N 2 1 345.487 3.100 20 0 EGADMP CC[NH+](Cc1cc2ccccc2o1)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157109283 1380776961 /nfs/dbraw/zinc/77/69/61/1380776961.db2.gz LHVXHDKBSHOFDW-MRXNPFEDSA-N 2 1 345.487 3.100 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109697 1380777636 /nfs/dbraw/zinc/77/76/36/1380777636.db2.gz RKLDGCZAZOUGTM-MSOLQXFVSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001157109697 1380777640 /nfs/dbraw/zinc/77/76/40/1380777640.db2.gz RKLDGCZAZOUGTM-MSOLQXFVSA-N 2 1 325.541 3.268 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109689 1380778033 /nfs/dbraw/zinc/77/80/33/1380778033.db2.gz RASZYGIVHNBKAI-PSUNPMBVSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001157109689 1380778036 /nfs/dbraw/zinc/77/80/36/1380778036.db2.gz RASZYGIVHNBKAI-PSUNPMBVSA-N 2 1 337.552 3.434 20 0 EGADMP CC[N@@H+](C/C=C/Cl)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001157119306 1380781338 /nfs/dbraw/zinc/78/13/38/1380781338.db2.gz UGEYABTUNMMVHY-ZUQFGZKASA-N 2 1 343.943 3.076 20 0 EGADMP CCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157132433 1380783088 /nfs/dbraw/zinc/78/30/88/1380783088.db2.gz GTLKRNIEKDHBSU-MJGOQNOKSA-N 2 1 333.520 3.306 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157132433 1380783092 /nfs/dbraw/zinc/78/30/92/1380783092.db2.gz GTLKRNIEKDHBSU-MJGOQNOKSA-N 2 1 333.520 3.306 20 0 EGADMP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157132778 1380783466 /nfs/dbraw/zinc/78/34/66/1380783466.db2.gz PNBJCAHMXQJMJO-IEBWSBKVSA-N 2 1 333.520 3.162 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157132778 1380783469 /nfs/dbraw/zinc/78/34/69/1380783469.db2.gz PNBJCAHMXQJMJO-IEBWSBKVSA-N 2 1 333.520 3.162 20 0 EGADMP CC[C@@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157256732 1380825165 /nfs/dbraw/zinc/82/51/65/1380825165.db2.gz VYTMYZUWFQNSET-QZTJIDSGSA-N 2 1 325.541 3.125 20 0 EGADMP c1cn(-c2cc[nH+]c(N(Cc3ccccc3)[C@H]3CCC[NH2+]C3)c2)cn1 ZINC001157431513 1380887546 /nfs/dbraw/zinc/88/75/46/1380887546.db2.gz CQIZHAKSVWOQKG-IBGZPJMESA-N 2 1 333.439 3.026 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157702573 1381008570 /nfs/dbraw/zinc/00/85/70/1381008570.db2.gz XXLILQUNNBSHQB-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001157702573 1381008575 /nfs/dbraw/zinc/00/85/75/1381008575.db2.gz XXLILQUNNBSHQB-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001157702573 1381008577 /nfs/dbraw/zinc/00/85/77/1381008577.db2.gz XXLILQUNNBSHQB-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH2+]CCC1CCCC1 ZINC001158356983 1381215316 /nfs/dbraw/zinc/21/53/16/1381215316.db2.gz YJENJBYIFCMCKF-MRXNPFEDSA-N 2 1 334.508 3.073 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001158446164 1381248538 /nfs/dbraw/zinc/24/85/38/1381248538.db2.gz VTZIUWCNIYULHF-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@H]1C ZINC001158474274 1381257392 /nfs/dbraw/zinc/25/73/92/1381257392.db2.gz VYMCKZSAESTZRL-IEBWSBKVSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1C ZINC001158474274 1381257400 /nfs/dbraw/zinc/25/74/00/1381257400.db2.gz VYMCKZSAESTZRL-IEBWSBKVSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1C ZINC001158474274 1381257404 /nfs/dbraw/zinc/25/74/04/1381257404.db2.gz VYMCKZSAESTZRL-IEBWSBKVSA-N 2 1 337.552 3.220 20 0 EGADMP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@H]1C ZINC001158473912 1381257679 /nfs/dbraw/zinc/25/76/79/1381257679.db2.gz QEGFABPCMYESGT-ASIGSXEYSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1C ZINC001158473912 1381257684 /nfs/dbraw/zinc/25/76/84/1381257684.db2.gz QEGFABPCMYESGT-ASIGSXEYSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1C ZINC001158473912 1381257689 /nfs/dbraw/zinc/25/76/89/1381257689.db2.gz QEGFABPCMYESGT-ASIGSXEYSA-N 2 1 335.536 3.140 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CC1)[NH+](CC)CC ZINC001158491106 1381266647 /nfs/dbraw/zinc/26/66/47/1381266647.db2.gz JOAICNIWOGEAIJ-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001158604823 1381316314 /nfs/dbraw/zinc/31/63/14/1381316314.db2.gz BYHWJOOLNADIGX-HXUWFJFHSA-N 2 1 345.531 3.475 20 0 EGADMP CC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001158645930 1381335757 /nfs/dbraw/zinc/33/57/57/1381335757.db2.gz DPKMZMGVEPMUQV-KKHYBRAUSA-N 2 1 349.563 3.388 20 0 EGADMP C[C@]1(C[NH3+])CCCN(c2[nH+]cnc3c2ccn3Cc2ccccc2)C1 ZINC001158679762 1381348601 /nfs/dbraw/zinc/34/86/01/1381348601.db2.gz XNVZJMXQXKVNPT-HXUWFJFHSA-N 2 1 335.455 3.045 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158768552 1381390681 /nfs/dbraw/zinc/39/06/81/1381390681.db2.gz WXXQWKFXHRKOBI-LJQANCHMSA-N 2 1 339.568 3.467 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC001158768345 1381391394 /nfs/dbraw/zinc/39/13/94/1381391394.db2.gz SXPPAFRCKAFYCJ-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CC(CC)CC ZINC001158787146 1381398505 /nfs/dbraw/zinc/39/85/05/1381398505.db2.gz LHBQUYBVHNYOOY-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(CC)CC ZINC001158787146 1381398511 /nfs/dbraw/zinc/39/85/11/1381398511.db2.gz LHBQUYBVHNYOOY-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(CC)CC ZINC001158787146 1381398519 /nfs/dbraw/zinc/39/85/19/1381398519.db2.gz LHBQUYBVHNYOOY-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP C[N@@H+](CC1CCC1)C[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001158949339 1381480918 /nfs/dbraw/zinc/48/09/18/1381480918.db2.gz LHSQHKGLPFVOIF-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP Brc1ccc2[nH+]cc(Nc3ccc4c(c3)C[NH2+]C4)n2c1 ZINC001159204306 1381729683 /nfs/dbraw/zinc/72/96/83/1381729683.db2.gz URHIHIQWLSSXTQ-UHFFFAOYSA-N 2 1 329.201 3.444 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC001159838223 1381917200 /nfs/dbraw/zinc/91/72/00/1381917200.db2.gz JVPSSWXQWRSEQS-QUCCMNQESA-N 2 1 345.531 3.130 20 0 EGADMP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cc(N)[nH+]cn3)[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC001159887650 1381928818 /nfs/dbraw/zinc/92/88/18/1381928818.db2.gz UDCMLUFMEWAVQQ-NEMWNAMBSA-N 2 1 331.508 3.429 20 0 EGADMP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cc(N)nc[nH+]3)[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC001159887650 1381928823 /nfs/dbraw/zinc/92/88/23/1381928823.db2.gz UDCMLUFMEWAVQQ-NEMWNAMBSA-N 2 1 331.508 3.429 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001159909788 1381934064 /nfs/dbraw/zinc/93/40/64/1381934064.db2.gz NFYOOBPPZHNZGI-VQIMIIECSA-N 2 1 349.494 3.246 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001159907579 1381934104 /nfs/dbraw/zinc/93/41/04/1381934104.db2.gz AMNPPNWXRSMTSR-LJQANCHMSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC001159908739 1381934457 /nfs/dbraw/zinc/93/44/57/1381934457.db2.gz JLFSYGIXUSKZOP-MJGOQNOKSA-N 2 1 331.504 3.106 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001159909243 1381934662 /nfs/dbraw/zinc/93/46/62/1381934662.db2.gz MCCHRHAGVPKJSJ-AZUAARDMSA-N 2 1 345.531 3.415 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccc(O[C@@H]2CC[NH2+]C2)c(F)c1 ZINC001160163931 1382022701 /nfs/dbraw/zinc/02/27/01/1382022701.db2.gz MHMFEZUTTRPVIQ-CQSZACIVSA-N 2 1 330.407 3.079 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001160285552 1382061236 /nfs/dbraw/zinc/06/12/36/1382061236.db2.gz HKTJVSPYCGSMBD-RRFGBZISSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160285552 1382061243 /nfs/dbraw/zinc/06/12/43/1382061243.db2.gz HKTJVSPYCGSMBD-RRFGBZISSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160285552 1382061247 /nfs/dbraw/zinc/06/12/47/1382061247.db2.gz HKTJVSPYCGSMBD-RRFGBZISSA-N 2 1 347.547 3.356 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160359781 1382082869 /nfs/dbraw/zinc/08/28/69/1382082869.db2.gz ALZPKYDIDXKNPI-PXDRNWIDSA-N 2 1 347.547 3.211 20 0 EGADMP c1ccc(C[N@@H+]2CC=C(Nc3cccc4c3[C@H]3C[NH2+]C[C@@H]3O4)CC2)cc1 ZINC001160397368 1382093623 /nfs/dbraw/zinc/09/36/23/1382093623.db2.gz XTPPXDGBFHMLEE-RXVVDRJESA-N 2 1 347.462 3.336 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1nc(Cl)cc(C3CC[NH2+]CC3)n1)C2 ZINC001160468717 1382115640 /nfs/dbraw/zinc/11/56/40/1382115640.db2.gz FUGZLICHYVYULS-QKDCVEJESA-N 2 1 349.910 3.024 20 0 EGADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328491635 1388762857 /nfs/dbraw/zinc/76/28/57/1388762857.db2.gz HRERSSWQXYBCNV-CYBMUJFWSA-N 2 1 332.473 3.325 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001160499502 1382123788 /nfs/dbraw/zinc/12/37/88/1382123788.db2.gz FCHKUQIDKLRWOO-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001160499502 1382123789 /nfs/dbraw/zinc/12/37/89/1382123789.db2.gz FCHKUQIDKLRWOO-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2CCCCC2)CC1 ZINC001160499502 1382123790 /nfs/dbraw/zinc/12/37/90/1382123790.db2.gz FCHKUQIDKLRWOO-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001160518238 1382129073 /nfs/dbraw/zinc/12/90/73/1382129073.db2.gz LOUWTPMQWSGJHF-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001160518238 1382129075 /nfs/dbraw/zinc/12/90/75/1382129075.db2.gz LOUWTPMQWSGJHF-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCCC1=CC[N@@H+](CC2CCCCC2)CC1 ZINC001160518238 1382129078 /nfs/dbraw/zinc/12/90/78/1382129078.db2.gz LOUWTPMQWSGJHF-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1=CC[NH+](CCCC(C)C)CC1 ZINC001160518552 1382129627 /nfs/dbraw/zinc/12/96/27/1382129627.db2.gz NRDDJLVVXNTBFH-UHFFFAOYSA-N 2 1 337.552 3.291 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCCC1=CC[N@H+](CCCC(C)C)CC1 ZINC001160518552 1382129629 /nfs/dbraw/zinc/12/96/29/1382129629.db2.gz NRDDJLVVXNTBFH-UHFFFAOYSA-N 2 1 337.552 3.291 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCCC1=CC[N@@H+](CCCC(C)C)CC1 ZINC001160518552 1382129632 /nfs/dbraw/zinc/12/96/32/1382129632.db2.gz NRDDJLVVXNTBFH-UHFFFAOYSA-N 2 1 337.552 3.291 20 0 EGADMP C[C@H](C[NH3+])CN(Cc1ccccc1)c1cc[nH+]c(N2CCCCC2)n1 ZINC001160665095 1382164594 /nfs/dbraw/zinc/16/45/94/1382164594.db2.gz HXKQXWCQDJEMHW-QGZVFWFLSA-N 2 1 339.487 3.068 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001160682460 1382168874 /nfs/dbraw/zinc/16/88/74/1382168874.db2.gz ARSAFAZQRSAYSX-UHFFFAOYSA-N 2 1 340.471 3.277 20 0 EGADMP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160870577 1382219707 /nfs/dbraw/zinc/21/97/07/1382219707.db2.gz ZLVMAECNMTYQMG-MOPGFXCFSA-N 2 1 349.563 3.316 20 0 EGADMP C[NH+](C)CC1(C(=O)NCCC2=CC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC001161027992 1382277000 /nfs/dbraw/zinc/27/70/00/1382277000.db2.gz CYEDVSLHPDCRNA-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+](C)CC1(C(=O)NCCC2=CC[N@@H+](CCCC3CCC3)CC2)CC1 ZINC001161029020 1382277096 /nfs/dbraw/zinc/27/70/96/1382277096.db2.gz KCHJFLZJNCPHEX-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP COc1cccc(C[N@H+]2CC[C@H](Nc3[nH+]ccc4c3ccn4C)C2)c1 ZINC001161187964 1382333986 /nfs/dbraw/zinc/33/39/86/1382333986.db2.gz MUIAZSDHWNRHHW-INIZCTEOSA-N 2 1 336.439 3.268 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001161204971 1382339847 /nfs/dbraw/zinc/33/98/47/1382339847.db2.gz AMOGBKNGFZOFGR-VOFKWLDRSA-N 2 1 347.547 3.356 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001161204971 1382339851 /nfs/dbraw/zinc/33/98/51/1382339851.db2.gz AMOGBKNGFZOFGR-VOFKWLDRSA-N 2 1 347.547 3.356 20 0 EGADMP CC(C)(C)CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161219673 1382346829 /nfs/dbraw/zinc/34/68/29/1382346829.db2.gz KKKXMFODALEKGT-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP CC(C)(C)CC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001161219673 1382346834 /nfs/dbraw/zinc/34/68/34/1382346834.db2.gz KKKXMFODALEKGT-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP CC(C)(C)CC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001161219673 1382346839 /nfs/dbraw/zinc/34/68/39/1382346839.db2.gz KKKXMFODALEKGT-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC2=CC[NH+](CCCC3CCC3)CC2)C1 ZINC001161220095 1382347241 /nfs/dbraw/zinc/34/72/41/1382347241.db2.gz TZLHJYMCHROLRL-GOSISDBHSA-N 2 1 347.547 3.047 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001161251347 1382354236 /nfs/dbraw/zinc/35/42/36/1382354236.db2.gz PQORAYXHJADKJN-UHFFFAOYSA-N 2 1 333.520 3.136 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444929 1382413566 /nfs/dbraw/zinc/41/35/66/1382413566.db2.gz MUZOZKIVKFVNBT-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001161444929 1382413569 /nfs/dbraw/zinc/41/35/69/1382413569.db2.gz MUZOZKIVKFVNBT-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001161444929 1382413574 /nfs/dbraw/zinc/41/35/74/1382413574.db2.gz MUZOZKIVKFVNBT-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161705741 1382485639 /nfs/dbraw/zinc/48/56/39/1382485639.db2.gz XGKLETAQPYDGKD-WOJBJXKFSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1=CC[NH+](Cc2csc(C)c2)CC1 ZINC001161755419 1382496015 /nfs/dbraw/zinc/49/60/15/1382496015.db2.gz WIPHDISQRWSSER-UHFFFAOYSA-N 2 1 349.544 3.037 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCC1=CC[N@H+](C[C@@H](C)CC(C)C)CC1 ZINC001161870187 1382534614 /nfs/dbraw/zinc/53/46/14/1382534614.db2.gz WJOOULIFSSVIIG-KRWDZBQOSA-N 2 1 346.519 3.012 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCC1=CC[N@@H+](C[C@@H](C)CC(C)C)CC1 ZINC001161870187 1382534618 /nfs/dbraw/zinc/53/46/18/1382534618.db2.gz WJOOULIFSSVIIG-KRWDZBQOSA-N 2 1 346.519 3.012 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001161953610 1382569494 /nfs/dbraw/zinc/56/94/94/1382569494.db2.gz XOLZCQJPYISVCN-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001161953610 1382569500 /nfs/dbraw/zinc/56/95/00/1382569500.db2.gz XOLZCQJPYISVCN-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@@H+](CC2CCCCC2)CC1 ZINC001161953610 1382569504 /nfs/dbraw/zinc/56/95/04/1382569504.db2.gz XOLZCQJPYISVCN-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP FC(F)Oc1cccc(CNc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001161987124 1382589170 /nfs/dbraw/zinc/58/91/70/1382589170.db2.gz NIYCVNVJWFGGNL-UHFFFAOYSA-N 2 1 344.365 3.235 20 0 EGADMP O[C@@H](CNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1)c1ccco1 ZINC001162258490 1382711565 /nfs/dbraw/zinc/71/15/65/1382711565.db2.gz QXAKPRKZKRJPLE-YJBOKZPZSA-N 2 1 340.427 3.089 20 0 EGADMP C[N@H+](CCc1ccccc1)CC(=O)Nc1cccc2c1C[NH+](C1CC1)C2 ZINC001295930068 1382872980 /nfs/dbraw/zinc/87/29/80/1382872980.db2.gz FVLFDWRKMJJJAJ-UHFFFAOYSA-N 2 1 349.478 3.278 20 0 EGADMP C[N@@H+](CCc1ccccc1)CC(=O)Nc1cccc2c1C[NH+](C1CC1)C2 ZINC001295930068 1382872990 /nfs/dbraw/zinc/87/29/90/1382872990.db2.gz FVLFDWRKMJJJAJ-UHFFFAOYSA-N 2 1 349.478 3.278 20 0 EGADMP C[NH+](CCc1ccccc1)CC(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC001295930068 1382872996 /nfs/dbraw/zinc/87/29/96/1382872996.db2.gz FVLFDWRKMJJJAJ-UHFFFAOYSA-N 2 1 349.478 3.278 20 0 EGADMP C[NH+](CCc1ccccc1)CC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC001295930068 1382873001 /nfs/dbraw/zinc/87/30/01/1382873001.db2.gz FVLFDWRKMJJJAJ-UHFFFAOYSA-N 2 1 349.478 3.278 20 0 EGADMP Cc1cc(C(F)(F)F)cc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)[nH+]1 ZINC001162956670 1382926921 /nfs/dbraw/zinc/92/69/21/1382926921.db2.gz RIFNMFMFLDTSSF-AWEZNQCLSA-N 2 1 343.393 3.370 20 0 EGADMP c1cn(C2CCCC2)c2nc[nH+]c(NC3CC4(C3)CCC[NH2+]C4)c12 ZINC001162981547 1382936654 /nfs/dbraw/zinc/93/66/54/1382936654.db2.gz AVKVKSKOECGNFA-UHFFFAOYSA-N 2 1 325.460 3.491 20 0 EGADMP CCCCc1nc(NCC[C@H]2C[NH2+]Cc3cccn3C2)cc(C)[nH+]1 ZINC001163056497 1382956482 /nfs/dbraw/zinc/95/64/82/1382956482.db2.gz FVIJBEFWIFEAMM-INIZCTEOSA-N 2 1 327.476 3.151 20 0 EGADMP Cc1cc(N[C@H](C)C[NH+](C)C)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001163770814 1383120354 /nfs/dbraw/zinc/12/03/54/1383120354.db2.gz SCEQEFDOWUFKDD-QGZVFWFLSA-N 2 1 338.499 3.310 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001164449392 1383187929 /nfs/dbraw/zinc/18/79/29/1383187929.db2.gz KCUMOXODNHTABM-FQEVSTJZSA-N 2 1 345.531 3.021 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1cc(-n2ccnc2)cc[nH+]1 ZINC001165203626 1383249037 /nfs/dbraw/zinc/24/90/37/1383249037.db2.gz ZOEZATPOKRWDTM-ROUUACIJSA-N 2 1 347.466 3.367 20 0 EGADMP C[N@H+]1CCC[C@@H](CCNc2ccc3c(c2)C2(CC3)CC[NH2+]CC2)C1 ZINC001165279315 1383265042 /nfs/dbraw/zinc/26/50/42/1383265042.db2.gz SOAIETUAWKURFC-KRWDZBQOSA-N 2 1 327.516 3.398 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001165333623 1383276081 /nfs/dbraw/zinc/27/60/81/1383276081.db2.gz RPOJFNBODZXBJM-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CCC/C=C/CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001165492651 1383303292 /nfs/dbraw/zinc/30/32/92/1383303292.db2.gz XWDGXQRSQRXKIA-AATRIKPKSA-N 2 1 335.536 3.093 20 0 EGADMP CC(C)(C)N(c1cc(C2CC2)cc[nH+]1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165670279 1383322408 /nfs/dbraw/zinc/32/24/08/1383322408.db2.gz QAJURYWXXPJYQB-QGZVFWFLSA-N 2 1 329.488 3.475 20 0 EGADMP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001165765071 1383342641 /nfs/dbraw/zinc/34/26/41/1383342641.db2.gz XPVQCFAHYBHTFK-QWNKOJSDSA-N 2 1 335.536 3.093 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001165809493 1383348338 /nfs/dbraw/zinc/34/83/38/1383348338.db2.gz HGWKSFSIHSDFLL-UHFFFAOYSA-N 2 1 335.536 3.093 20 0 EGADMP Nc1cccc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)[nH+]1 ZINC001166572388 1383439988 /nfs/dbraw/zinc/43/99/88/1383439988.db2.gz WJSGYRNESOAONF-UHFFFAOYSA-N 2 1 339.830 3.192 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC2(C[NH2+]CCCC3CCCC3)CC2)C1 ZINC001167232779 1383571038 /nfs/dbraw/zinc/57/10/38/1383571038.db2.gz PMNQJMPCXBYRIX-GOSISDBHSA-N 2 1 349.563 3.175 20 0 EGADMP Cc1cccc([C@H](O)C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001167505257 1383652649 /nfs/dbraw/zinc/65/26/49/1383652649.db2.gz RWBLESVPFZOFEN-IFMALSPDSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1cccc([C@H](O)C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001167505257 1383652652 /nfs/dbraw/zinc/65/26/52/1383652652.db2.gz RWBLESVPFZOFEN-IFMALSPDSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1cccc([C@H](O)C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001167505257 1383652660 /nfs/dbraw/zinc/65/26/60/1383652660.db2.gz RWBLESVPFZOFEN-IFMALSPDSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1cccc([C@H](O)C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001167505257 1383652662 /nfs/dbraw/zinc/65/26/62/1383652662.db2.gz RWBLESVPFZOFEN-IFMALSPDSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001167627214 1383692859 /nfs/dbraw/zinc/69/28/59/1383692859.db2.gz MBMYXLLBKUJDBH-HXUWFJFHSA-N 2 1 345.531 3.162 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001167812522 1383746524 /nfs/dbraw/zinc/74/65/24/1383746524.db2.gz OKIWQRCFYATOGG-UHFFFAOYSA-N 2 1 325.541 3.175 20 0 EGADMP Oc1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167981883 1383787088 /nfs/dbraw/zinc/78/70/88/1383787088.db2.gz NYZGOUGZSQJIPI-YQQQUEKLSA-N 2 1 326.484 3.462 20 0 EGADMP CCCCOC(=O)[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002800 1383793404 /nfs/dbraw/zinc/79/34/04/1383793404.db2.gz YMGRCSUSWVXZAU-HTUJPFKRSA-N 2 1 334.504 3.057 20 0 EGADMP CCCCOC(=O)[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168002800 1383793409 /nfs/dbraw/zinc/79/34/09/1383793409.db2.gz YMGRCSUSWVXZAU-HTUJPFKRSA-N 2 1 334.504 3.057 20 0 EGADMP CCCCOC(=O)[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168002800 1383793411 /nfs/dbraw/zinc/79/34/11/1383793411.db2.gz YMGRCSUSWVXZAU-HTUJPFKRSA-N 2 1 334.504 3.057 20 0 EGADMP Cn1ccc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)n1 ZINC001168004356 1383793793 /nfs/dbraw/zinc/79/37/93/1383793793.db2.gz UQOBXIBHCLVCRM-DFNIBXOVSA-N 2 1 328.504 3.005 20 0 EGADMP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001168029138 1383800515 /nfs/dbraw/zinc/80/05/15/1383800515.db2.gz CRUOMZQDMSHCAW-MOPGFXCFSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H]1CC([NH+]2CC3(C2)CC[NH+](C)CC3)C[C@@H](C)N1Cc1ccccc1 ZINC001168059487 1383807419 /nfs/dbraw/zinc/80/74/19/1383807419.db2.gz UEFPMTJTSFJYCA-RTBURBONSA-N 2 1 341.543 3.456 20 0 EGADMP C[C@@H]1CC(N2CC3(C2)CC[NH+](C)CC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059487 1383807423 /nfs/dbraw/zinc/80/74/23/1383807423.db2.gz UEFPMTJTSFJYCA-RTBURBONSA-N 2 1 341.543 3.456 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CC1(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001168320650 1383872247 /nfs/dbraw/zinc/87/22/47/1383872247.db2.gz IIFBNQODDMYDEW-UHFFFAOYSA-N 2 1 345.531 3.020 20 0 EGADMP C[NH+](C)C1CCC([N@@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001168330256 1383875425 /nfs/dbraw/zinc/87/54/25/1383875425.db2.gz NYIYCWSEIIJAQF-CBNMVNINSA-N 2 1 329.532 3.456 20 0 EGADMP CC[C@@H]([NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC001168344941 1383878915 /nfs/dbraw/zinc/87/89/15/1383878915.db2.gz GODLHLQNUWYQCI-LJQANCHMSA-N 2 1 345.531 3.354 20 0 EGADMP COc1ccccc1[C@H](O)C[N@@H+](C(C)C)C1CC[NH+](CC2CC2)CC1 ZINC001168387314 1383892063 /nfs/dbraw/zinc/89/20/63/1383892063.db2.gz CMWLQLBMWTUPNJ-HXUWFJFHSA-N 2 1 346.515 3.313 20 0 EGADMP Clc1cccc(OC2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)n1 ZINC001168389370 1383892681 /nfs/dbraw/zinc/89/26/81/1383892681.db2.gz MPBHABJAVBKGQT-UHFFFAOYSA-N 2 1 349.906 3.453 20 0 EGADMP COc1ccc([C@H]2C[C@@H]([N@H+](CC[NH3+])Cc3ccccc3)CCO2)cc1 ZINC001168585769 1383942296 /nfs/dbraw/zinc/94/22/96/1383942296.db2.gz RIHDGOYKKIRLIP-PZJWPPBQSA-N 2 1 340.467 3.376 20 0 EGADMP COc1ccc([C@H]2C[C@@H]([N@@H+](CC[NH3+])Cc3ccccc3)CCO2)cc1 ZINC001168585769 1383942299 /nfs/dbraw/zinc/94/22/99/1383942299.db2.gz RIHDGOYKKIRLIP-PZJWPPBQSA-N 2 1 340.467 3.376 20 0 EGADMP COc1ccc([C@H]2C[C@H]([N@H+]3CCC4(C3)CC[NH+](C)CC4)CCO2)cc1 ZINC001168666900 1383964854 /nfs/dbraw/zinc/96/48/54/1383964854.db2.gz YMLUWPYBKXLZIC-UYAOXDASSA-N 2 1 344.499 3.333 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC001307421527 1383986673 /nfs/dbraw/zinc/98/66/73/1383986673.db2.gz UDRXJWMOGANAEC-RTBURBONSA-N 2 1 338.536 3.410 20 0 EGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001168840587 1384028685 /nfs/dbraw/zinc/02/86/85/1384028685.db2.gz VFLAGCQVNMNIMS-NCOADZHNSA-N 2 1 339.524 3.093 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)C2 ZINC001169081311 1384103882 /nfs/dbraw/zinc/10/38/82/1384103882.db2.gz QRBATDZQWCMYQZ-QKDCVEJESA-N 2 1 327.241 3.303 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)C2 ZINC001169081311 1384103884 /nfs/dbraw/zinc/10/38/84/1384103884.db2.gz QRBATDZQWCMYQZ-QKDCVEJESA-N 2 1 327.241 3.303 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)C2 ZINC001169089616 1384104864 /nfs/dbraw/zinc/10/48/64/1384104864.db2.gz DSWSFQWYADWPIF-BCDXTJNWSA-N 2 1 330.472 3.357 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)C2 ZINC001169089616 1384104865 /nfs/dbraw/zinc/10/48/65/1384104865.db2.gz DSWSFQWYADWPIF-BCDXTJNWSA-N 2 1 330.472 3.357 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)C2 ZINC001169089618 1384105181 /nfs/dbraw/zinc/10/51/81/1384105181.db2.gz DSWSFQWYADWPIF-NNZMDNLPSA-N 2 1 330.472 3.357 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)C2 ZINC001169089618 1384105183 /nfs/dbraw/zinc/10/51/83/1384105183.db2.gz DSWSFQWYADWPIF-NNZMDNLPSA-N 2 1 330.472 3.357 20 0 EGADMP Cc1ccc(F)cc1CN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169109126 1384108407 /nfs/dbraw/zinc/10/84/07/1384108407.db2.gz HUEXHKFTWZDAHU-MZADTFQBSA-N 2 1 345.506 3.313 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CC[NH+](Cc3ccccc3F)CC1)C2 ZINC001169111280 1384108802 /nfs/dbraw/zinc/10/88/02/1384108802.db2.gz OKVJMGZOAHAWDF-OWZKRDHZSA-N 3 1 345.506 3.253 20 0 EGADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CC[NH+](Cc3ccccc3F)CC1)C2 ZINC001169111280 1384108805 /nfs/dbraw/zinc/10/88/05/1384108805.db2.gz OKVJMGZOAHAWDF-OWZKRDHZSA-N 2 1 345.506 3.253 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3cc(F)ccc3F)CC1)C2 ZINC001169109448 1384108921 /nfs/dbraw/zinc/10/89/21/1384108921.db2.gz IOJWIHJOLHQCHI-REPLKXPHSA-N 2 1 349.469 3.144 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(OCc3ccccc3F)CC1)C2 ZINC001169140203 1384112441 /nfs/dbraw/zinc/11/24/41/1384112441.db2.gz IVVDAEAKGRPUOP-BCDXTJNWSA-N 2 1 332.463 3.432 20 0 EGADMP COc1ccccc1S[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169156704 1384116877 /nfs/dbraw/zinc/11/68/77/1384116877.db2.gz ZLQKBOGZZOGBHB-LTIDMASMSA-N 2 1 332.513 3.487 20 0 EGADMP COc1ccccc1S[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169156704 1384116878 /nfs/dbraw/zinc/11/68/78/1384116878.db2.gz ZLQKBOGZZOGBHB-LTIDMASMSA-N 2 1 332.513 3.487 20 0 EGADMP COc1ccccc1S[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169156704 1384116879 /nfs/dbraw/zinc/11/68/79/1384116879.db2.gz ZLQKBOGZZOGBHB-LTIDMASMSA-N 2 1 332.513 3.487 20 0 EGADMP CC[N@@H+]1CC=C(c2cnc(-n3ncc4c3cccc4C[NH3+])c(C)c2)CC1 ZINC001169191001 1384121322 /nfs/dbraw/zinc/12/13/22/1384121322.db2.gz DKVRSFTZKGTOJD-UHFFFAOYSA-N 2 1 347.466 3.297 20 0 EGADMP Cc1ccc2ncc(C[NH2+][C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)n2c1 ZINC001308368617 1384122380 /nfs/dbraw/zinc/12/23/80/1384122380.db2.gz YRACMMCQHOAQGJ-DLBZAZTESA-N 2 1 326.488 3.385 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](NC(=O)C3CCCCC3)CC2)CC1 ZINC001169242225 1384126384 /nfs/dbraw/zinc/12/63/84/1384126384.db2.gz ZVZSABOOXPRWRI-IYARVYRRSA-N 2 1 335.536 3.068 20 0 EGADMP CC[NH+]1CCC(N2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)CC1 ZINC001169249361 1384127471 /nfs/dbraw/zinc/12/74/71/1384127471.db2.gz HQXVAOYAWINJSY-HXUWFJFHSA-N 2 1 345.531 3.440 20 0 EGADMP CCN1CCC([NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)CC1 ZINC001169249361 1384127473 /nfs/dbraw/zinc/12/74/73/1384127473.db2.gz HQXVAOYAWINJSY-HXUWFJFHSA-N 2 1 345.531 3.440 20 0 EGADMP CCN1CCC([NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)CC1 ZINC001169249361 1384127474 /nfs/dbraw/zinc/12/74/74/1384127474.db2.gz HQXVAOYAWINJSY-HXUWFJFHSA-N 2 1 345.531 3.440 20 0 EGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001308793033 1384149966 /nfs/dbraw/zinc/14/99/66/1384149966.db2.gz PTKXZLWSQVWODF-OAGGEKHMSA-N 2 1 341.540 3.388 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001308793033 1384149967 /nfs/dbraw/zinc/14/99/67/1384149967.db2.gz PTKXZLWSQVWODF-OAGGEKHMSA-N 2 1 341.540 3.388 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(C)ccc3NC)CC2)CC1 ZINC001308822804 1384152537 /nfs/dbraw/zinc/15/25/37/1384152537.db2.gz IXOLSPJTOLMTBA-UHFFFAOYSA-N 2 1 344.547 3.029 20 0 EGADMP Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(NCC[C@H]3CCC[NH2+]3)c12 ZINC001169562996 1384159961 /nfs/dbraw/zinc/15/99/61/1384159961.db2.gz PWQVZJFZGXRDPS-OAHLLOKOSA-N 2 1 339.443 3.243 20 0 EGADMP CC(=O)N1CCC[C@@H]([N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169593279 1384163144 /nfs/dbraw/zinc/16/31/44/1384163144.db2.gz DYHXKVXYLLZVPA-NJDAHSKKSA-N 2 1 343.515 3.078 20 0 EGADMP CCOC(=O)N1CCC[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169669491 1384170875 /nfs/dbraw/zinc/17/08/75/1384170875.db2.gz PVYYODMMWOXVKG-SZMVWBNQSA-N 2 1 337.508 3.122 20 0 EGADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169756312 1384183097 /nfs/dbraw/zinc/18/30/97/1384183097.db2.gz HZNQCXRYBFOCPG-ICSRJNTNSA-N 2 1 343.515 3.132 20 0 EGADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H]3CC[C@H](C)C3)CC[C@@H]21 ZINC001170140055 1384246796 /nfs/dbraw/zinc/24/67/96/1384246796.db2.gz WSSGCQXHOBXPIF-WPVAHCMFSA-N 2 1 330.520 3.245 20 0 EGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H]3CC[C@H](C)C3)CC[C@@H]21 ZINC001170140055 1384246800 /nfs/dbraw/zinc/24/68/00/1384246800.db2.gz WSSGCQXHOBXPIF-WPVAHCMFSA-N 2 1 330.520 3.245 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@H]3CC[C@H](C)C3)CC[C@@H]21 ZINC001170140055 1384246803 /nfs/dbraw/zinc/24/68/03/1384246803.db2.gz WSSGCQXHOBXPIF-WPVAHCMFSA-N 2 1 330.520 3.245 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@H]3CC[C@H](C)C3)CC[C@@H]21 ZINC001170140055 1384246806 /nfs/dbraw/zinc/24/68/06/1384246806.db2.gz WSSGCQXHOBXPIF-WPVAHCMFSA-N 2 1 330.520 3.245 20 0 EGADMP CC[C@@H]1C[C@H]([NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)CCO1 ZINC001170221413 1384268733 /nfs/dbraw/zinc/26/87/33/1384268733.db2.gz ORTKGFQVIBGKJU-WOJBJXKFSA-N 2 1 343.515 3.327 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)nn1 ZINC001170450534 1384322004 /nfs/dbraw/zinc/32/20/04/1384322004.db2.gz LASFQPBYGJGMRC-UHFFFAOYSA-N 2 1 328.464 3.034 20 0 EGADMP CC[C@H]1CC([NH2+]C(C)(C)C[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170461767 1384324860 /nfs/dbraw/zinc/32/48/60/1384324860.db2.gz WBTLIOZUEOYUNI-GJZGRUSLSA-N 2 1 327.513 3.270 20 0 EGADMP CC(C)C[C@]1(C)CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001170481892 1384327470 /nfs/dbraw/zinc/32/74/70/1384327470.db2.gz XTKXBZRFYAEWDB-FPOVZHCZSA-N 2 1 345.531 3.306 20 0 EGADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170753915 1384379694 /nfs/dbraw/zinc/37/96/94/1384379694.db2.gz SXFAQZQBKYXMNL-BKZNIZDZSA-N 2 1 332.532 3.101 20 0 EGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170753915 1384379698 /nfs/dbraw/zinc/37/96/98/1384379698.db2.gz SXFAQZQBKYXMNL-BKZNIZDZSA-N 2 1 332.532 3.101 20 0 EGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170753915 1384379704 /nfs/dbraw/zinc/37/97/04/1384379704.db2.gz SXFAQZQBKYXMNL-BKZNIZDZSA-N 2 1 332.532 3.101 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCC1CCCC1 ZINC001170784828 1384384446 /nfs/dbraw/zinc/38/44/46/1384384446.db2.gz LLVJMRCXCDDVBV-IBGZPJMESA-N 2 1 337.552 3.317 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CCCCC1 ZINC001170784187 1384384597 /nfs/dbraw/zinc/38/45/97/1384384597.db2.gz GETCROSSEQPQQO-LJQANCHMSA-N 2 1 337.552 3.317 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+]([C@H]4CCCOCC4)CC[C@@H]3C2)cc1 ZINC001170846203 1384397868 /nfs/dbraw/zinc/39/78/68/1384397868.db2.gz YOWNRQYOJUUJJS-NJYVYQBISA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+]([C@H]4CCCOCC4)CC[C@@H]3C2)cc1 ZINC001170846203 1384397869 /nfs/dbraw/zinc/39/78/69/1384397869.db2.gz YOWNRQYOJUUJJS-NJYVYQBISA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+]([C@H]4CCCOCC4)CC[C@@H]3C2)cc1 ZINC001170846203 1384397871 /nfs/dbraw/zinc/39/78/71/1384397871.db2.gz YOWNRQYOJUUJJS-NJYVYQBISA-N 2 1 328.500 3.400 20 0 EGADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170968256 1384420019 /nfs/dbraw/zinc/42/00/19/1384420019.db2.gz CGPHFWGMKYBROV-MRXNPFEDSA-N 3 1 335.511 3.158 20 0 EGADMP CCC(=O)Nc1cc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)cc[nH+]1 ZINC001171098404 1384445584 /nfs/dbraw/zinc/44/55/84/1384445584.db2.gz FOYYNJIZQBORJU-CYBMUJFWSA-N 2 1 334.423 3.190 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001171238895 1384477081 /nfs/dbraw/zinc/47/70/81/1384477081.db2.gz ZBYSRTODFRQSIO-RBUKOAKNSA-N 2 1 339.568 3.275 20 0 EGADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001171247709 1384477677 /nfs/dbraw/zinc/47/76/77/1384477677.db2.gz NLTVMIDQMPNYCG-ROUUACIJSA-N 2 1 325.541 3.170 20 0 EGADMP COc1ccc(Cl)c2c1C[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC001171299538 1384488659 /nfs/dbraw/zinc/48/86/59/1384488659.db2.gz QQXOLMBZOYSDCT-CQSZACIVSA-N 2 1 334.891 3.422 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@@H]([NH3+])C2)C[C@H]1C(C)(C)C ZINC001171583149 1384571956 /nfs/dbraw/zinc/57/19/56/1384571956.db2.gz WTLDSZLCROQABE-PMPSAXMXSA-N 2 1 339.524 3.224 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCC[C@@H]([NH3+])C2)C[C@H]1C(C)(C)C ZINC001171583149 1384571959 /nfs/dbraw/zinc/57/19/59/1384571959.db2.gz WTLDSZLCROQABE-PMPSAXMXSA-N 2 1 339.524 3.224 20 0 EGADMP C[NH+]1C(C)(C)CC(NC(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CC1(C)C ZINC001171626280 1384584526 /nfs/dbraw/zinc/58/45/26/1384584526.db2.gz WNUURIXISSAOKY-UHFFFAOYSA-N 3 1 340.600 3.113 20 0 EGADMP CC(C)C(=O)N1CC[C@H]2C[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC[C@@H]21 ZINC001171637255 1384587826 /nfs/dbraw/zinc/58/78/26/1384587826.db2.gz LLJFBSZCSKPTCI-WMZOPIPTSA-N 2 1 349.563 3.217 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]C/C=C/Cl ZINC001171645925 1384590996 /nfs/dbraw/zinc/59/09/96/1384590996.db2.gz DDCDZJYRDBZEDO-NGXUEJOTSA-N 2 1 343.943 3.124 20 0 EGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@@H](C)CCc1ccc(C)cc1 ZINC001171675015 1384598892 /nfs/dbraw/zinc/59/88/92/1384598892.db2.gz PEGPDNYOTMYBRM-SFHVURJKSA-N 2 1 334.504 3.133 20 0 EGADMP C[C@H]1C[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC001171731394 1384617438 /nfs/dbraw/zinc/61/74/38/1384617438.db2.gz AINPHKQRZLKPOK-BWUHRYBWSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171731394 1384617440 /nfs/dbraw/zinc/61/74/40/1384617440.db2.gz AINPHKQRZLKPOK-BWUHRYBWSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171731394 1384617444 /nfs/dbraw/zinc/61/74/44/1384617444.db2.gz AINPHKQRZLKPOK-BWUHRYBWSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@H](n2cc(CC[NH3+])c3ncccc32)C[N@H+]1Cc1ccccc1 ZINC001171732876 1384618233 /nfs/dbraw/zinc/61/82/33/1384618233.db2.gz MCRXPFPOFQVGRH-APWZRJJASA-N 2 1 334.467 3.373 20 0 EGADMP C[C@@H]1C[C@H](N2CCC([NH3+])(CC3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171738234 1384621107 /nfs/dbraw/zinc/62/11/07/1384621107.db2.gz HZWYOIHGPYDNKL-XLIONFOSSA-N 2 1 327.516 3.243 20 0 EGADMP COc1ccc(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1C[NH3+] ZINC001171740313 1384622022 /nfs/dbraw/zinc/62/20/22/1384622022.db2.gz JAKMRDKTKKHSCZ-KXBFYZLASA-N 2 1 325.456 3.229 20 0 EGADMP CC(C)[N@H+]1CC[C@H](N[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744835 1384623695 /nfs/dbraw/zinc/62/36/95/1384623695.db2.gz IHMJFDJTSGTUAS-QCFAMHMHSA-N 2 1 329.532 3.358 20 0 EGADMP CC(C)[NH+]1CC[C@H](N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744835 1384623697 /nfs/dbraw/zinc/62/36/97/1384623697.db2.gz IHMJFDJTSGTUAS-QCFAMHMHSA-N 2 1 329.532 3.358 20 0 EGADMP CC(C)[NH+]1CC[C@H](N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744835 1384623700 /nfs/dbraw/zinc/62/37/00/1384623700.db2.gz IHMJFDJTSGTUAS-QCFAMHMHSA-N 2 1 329.532 3.358 20 0 EGADMP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744835 1384623702 /nfs/dbraw/zinc/62/37/02/1384623702.db2.gz IHMJFDJTSGTUAS-QCFAMHMHSA-N 2 1 329.532 3.358 20 0 EGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744835 1384623704 /nfs/dbraw/zinc/62/37/04/1384623704.db2.gz IHMJFDJTSGTUAS-QCFAMHMHSA-N 2 1 329.532 3.358 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171825481 1384652259 /nfs/dbraw/zinc/65/22/59/1384652259.db2.gz DDNGAFUVWLHCDI-IAGOWNOFSA-N 2 1 348.535 3.073 20 0 EGADMP CC1(C)C[C@H]([NH2+]Cc2cc[nH]c(=O)c2)CC[N@H+]1Cc1ccccc1 ZINC001171973476 1384699036 /nfs/dbraw/zinc/69/90/36/1384699036.db2.gz ZICZKIOHFPWBBV-GOSISDBHSA-N 2 1 325.456 3.320 20 0 EGADMP Cc1[nH+]cc2n1CCN([C@@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171980327 1384701973 /nfs/dbraw/zinc/70/19/73/1384701973.db2.gz IJCPHFJHLVQDHB-LJQANCHMSA-N 2 1 338.499 3.450 20 0 EGADMP Cc1[nH+]cc2n1CCN([C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171980327 1384702000 /nfs/dbraw/zinc/70/20/00/1384702000.db2.gz IJCPHFJHLVQDHB-LJQANCHMSA-N 2 1 338.499 3.450 20 0 EGADMP CC1(C)C[C@@H]([NH2+]C2CCN(CCF)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171983096 1384703392 /nfs/dbraw/zinc/70/33/92/1384703392.db2.gz MUHNQRBEGVOAAC-FQEVSTJZSA-N 2 1 347.522 3.453 20 0 EGADMP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984690 1384704110 /nfs/dbraw/zinc/70/41/10/1384704110.db2.gz XOVSQJFKXYHPAP-PKOBYXMFSA-N 2 1 338.499 3.440 20 0 EGADMP Cc1nccn1CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172060914 1384714126 /nfs/dbraw/zinc/71/41/26/1384714126.db2.gz DLYSKDMMCNQGEJ-WKCHPHFGSA-N 2 1 338.499 3.367 20 0 EGADMP C[N@H+]1CC[C@@H](CN[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061634 1384715270 /nfs/dbraw/zinc/71/52/70/1384715270.db2.gz ICCWYPANLXDLSY-BURNTYAHSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1CC[C@@H](CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172061634 1384715274 /nfs/dbraw/zinc/71/52/74/1384715274.db2.gz ICCWYPANLXDLSY-BURNTYAHSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1CC[C@@H](CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172061634 1384715277 /nfs/dbraw/zinc/71/52/77/1384715277.db2.gz ICCWYPANLXDLSY-BURNTYAHSA-N 2 1 327.516 3.113 20 0 EGADMP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061634 1384715280 /nfs/dbraw/zinc/71/52/80/1384715280.db2.gz ICCWYPANLXDLSY-BURNTYAHSA-N 3 1 327.516 3.113 20 0 EGADMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061634 1384715289 /nfs/dbraw/zinc/71/52/89/1384715289.db2.gz ICCWYPANLXDLSY-BURNTYAHSA-N 3 1 327.516 3.113 20 0 EGADMP C[NH+]1CC[C@@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172061634 1384715293 /nfs/dbraw/zinc/71/52/93/1384715293.db2.gz ICCWYPANLXDLSY-BURNTYAHSA-N 3 1 327.516 3.113 20 0 EGADMP C[NH+]1CC[C@@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172061634 1384715296 /nfs/dbraw/zinc/71/52/96/1384715296.db2.gz ICCWYPANLXDLSY-BURNTYAHSA-N 3 1 327.516 3.113 20 0 EGADMP c1cn(CCC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172068019 1384715988 /nfs/dbraw/zinc/71/59/88/1384715988.db2.gz PMPAKKPJHYGKOB-WKCHPHFGSA-N 2 1 338.499 3.449 20 0 EGADMP COC(=O)C[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067915 1384716411 /nfs/dbraw/zinc/71/64/11/1384716411.db2.gz HUALCANQDRSODM-OWYHZJEWSA-N 2 1 330.472 3.113 20 0 EGADMP CC1([NH3+])CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172066619 1384716759 /nfs/dbraw/zinc/71/67/59/1384716759.db2.gz ATWNBECGZFVYGQ-PMOLBWCYSA-N 2 1 327.516 3.385 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]CCN2CCCCO2)C3)cc1 ZINC001172066767 1384716796 /nfs/dbraw/zinc/71/67/96/1384716796.db2.gz KDEDSEQYRHVNAI-WKCHPHFGSA-N 2 1 343.515 3.189 20 0 EGADMP O[C@@H]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068386 1384717953 /nfs/dbraw/zinc/71/79/53/1384717953.db2.gz QKOMLESSZABDBE-SSSFQFABSA-N 2 1 328.500 3.323 20 0 EGADMP OC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC001172070019 1384718201 /nfs/dbraw/zinc/71/82/01/1384718201.db2.gz ZXIZSZIPZIITIP-OWZKRDHZSA-N 2 1 328.500 3.467 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC[NH+]4CCC[C@@H]4C2)C3)cc1 ZINC001172071219 1384718906 /nfs/dbraw/zinc/71/89/06/1384718906.db2.gz DASOPOBSJHWIID-MBDNFAEBSA-N 2 1 339.527 3.352 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC[N@@H+]4CCC[C@@H]4C2)C3)cc1 ZINC001172071219 1384718912 /nfs/dbraw/zinc/71/89/12/1384718912.db2.gz DASOPOBSJHWIID-MBDNFAEBSA-N 2 1 339.527 3.352 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC[N@H+]4CCC[C@@H]4C2)C3)cc1 ZINC001172071219 1384718915 /nfs/dbraw/zinc/71/89/15/1384718915.db2.gz DASOPOBSJHWIID-MBDNFAEBSA-N 2 1 339.527 3.352 20 0 EGADMP COC(C)(C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC001172076652 1384720775 /nfs/dbraw/zinc/72/07/75/1384720775.db2.gz KCUAEZISLVBSEC-REPLKXPHSA-N 2 1 332.488 3.171 20 0 EGADMP Cn1c2ccccc2nc1CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107027 1384728001 /nfs/dbraw/zinc/72/80/01/1384728001.db2.gz SLGTZTWQOKLMGF-BJWYYQGGSA-N 2 1 326.488 3.111 20 0 EGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109888 1384729019 /nfs/dbraw/zinc/72/90/19/1384729019.db2.gz GMQHDAOUYHAGTC-OSYHSXPHSA-N 2 1 342.531 3.169 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109888 1384729020 /nfs/dbraw/zinc/72/90/20/1384729020.db2.gz GMQHDAOUYHAGTC-OSYHSXPHSA-N 3 1 342.531 3.169 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109888 1384729022 /nfs/dbraw/zinc/72/90/22/1384729022.db2.gz GMQHDAOUYHAGTC-OSYHSXPHSA-N 3 1 342.531 3.169 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109888 1384729026 /nfs/dbraw/zinc/72/90/26/1384729026.db2.gz GMQHDAOUYHAGTC-OSYHSXPHSA-N 3 1 342.531 3.169 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109888 1384729027 /nfs/dbraw/zinc/72/90/27/1384729027.db2.gz GMQHDAOUYHAGTC-OSYHSXPHSA-N 3 1 342.531 3.169 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccc(F)cc3)CCOCC1)C2 ZINC001172110607 1384729197 /nfs/dbraw/zinc/72/91/97/1384729197.db2.gz KWLFNLFRBRJBSN-LDLYASANSA-N 2 1 332.463 3.436 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccc(F)cc3)CCOCC1)C2 ZINC001172110607 1384729200 /nfs/dbraw/zinc/72/92/00/1384729200.db2.gz KWLFNLFRBRJBSN-LDLYASANSA-N 2 1 332.463 3.436 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)C2 ZINC001172112099 1384730128 /nfs/dbraw/zinc/73/01/28/1384730128.db2.gz TTYJOFAPGHHHQI-BQJWPVKWSA-N 2 1 337.508 3.037 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)C2 ZINC001172112099 1384730130 /nfs/dbraw/zinc/73/01/30/1384730130.db2.gz TTYJOFAPGHHHQI-BQJWPVKWSA-N 2 1 337.508 3.037 20 0 EGADMP CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115444 1384730543 /nfs/dbraw/zinc/73/05/43/1384730543.db2.gz XQSVIGKIQAEDSM-PLACYPQZSA-N 2 1 327.516 3.208 20 0 EGADMP CN([C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115444 1384730546 /nfs/dbraw/zinc/73/05/46/1384730546.db2.gz XQSVIGKIQAEDSM-PLACYPQZSA-N 2 1 327.516 3.208 20 0 EGADMP CN([C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115444 1384730549 /nfs/dbraw/zinc/73/05/49/1384730549.db2.gz XQSVIGKIQAEDSM-PLACYPQZSA-N 2 1 327.516 3.208 20 0 EGADMP CC[N@H+](CCN(C)C(=O)OC(C)(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130423 1384738119 /nfs/dbraw/zinc/73/81/19/1384738119.db2.gz PBRJZDFIPRNNQZ-BJWYYQGGSA-N 2 1 339.524 3.191 20 0 EGADMP CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130423 1384738121 /nfs/dbraw/zinc/73/81/21/1384738121.db2.gz PBRJZDFIPRNNQZ-BJWYYQGGSA-N 2 1 339.524 3.191 20 0 EGADMP CC[NH+](CCN(C)C(=O)OC(C)(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172130423 1384738126 /nfs/dbraw/zinc/73/81/26/1384738126.db2.gz PBRJZDFIPRNNQZ-BJWYYQGGSA-N 2 1 339.524 3.191 20 0 EGADMP CC[NH+](CCN(C)C(=O)OC(C)(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172130423 1384738128 /nfs/dbraw/zinc/73/81/28/1384738128.db2.gz PBRJZDFIPRNNQZ-BJWYYQGGSA-N 2 1 339.524 3.191 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172234678 1384753590 /nfs/dbraw/zinc/75/35/90/1384753590.db2.gz JIULXVZYKBMBBA-NXEWRWPSSA-N 2 1 326.484 3.363 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172234678 1384753591 /nfs/dbraw/zinc/75/35/91/1384753591.db2.gz JIULXVZYKBMBBA-NXEWRWPSSA-N 2 1 326.484 3.363 20 0 EGADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172328763 1384771177 /nfs/dbraw/zinc/77/11/77/1384771177.db2.gz DGRBNNODUDJTSV-SLFFLAALSA-N 2 1 340.552 3.403 20 0 EGADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172328763 1384771179 /nfs/dbraw/zinc/77/11/79/1384771179.db2.gz DGRBNNODUDJTSV-SLFFLAALSA-N 2 1 340.552 3.403 20 0 EGADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001172328763 1384771181 /nfs/dbraw/zinc/77/11/81/1384771181.db2.gz DGRBNNODUDJTSV-SLFFLAALSA-N 2 1 340.552 3.403 20 0 EGADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001172328763 1384771184 /nfs/dbraw/zinc/77/11/84/1384771184.db2.gz DGRBNNODUDJTSV-SLFFLAALSA-N 2 1 340.552 3.403 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@H](C)[C@@H](C)C1)C2 ZINC001172379911 1384781697 /nfs/dbraw/zinc/78/16/97/1384781697.db2.gz UHIZKGNUVRKQLQ-HSROGRKHSA-N 2 1 334.548 3.491 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CC[C@H](C)[C@@H](C)C1)C2 ZINC001172379911 1384781701 /nfs/dbraw/zinc/78/17/01/1384781701.db2.gz UHIZKGNUVRKQLQ-HSROGRKHSA-N 2 1 334.548 3.491 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CC[C@H](C)[C@@H](C)C1)C2 ZINC001172379911 1384781706 /nfs/dbraw/zinc/78/17/06/1384781706.db2.gz UHIZKGNUVRKQLQ-HSROGRKHSA-N 2 1 334.548 3.491 20 0 EGADMP C[NH+]1CCC(C[NH+]2CCN([C@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC001172568027 1384812539 /nfs/dbraw/zinc/81/25/39/1384812539.db2.gz JQNAUFGPGLDSEN-YADHBBJMSA-N 2 1 341.543 3.282 20 0 EGADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172601790 1384817287 /nfs/dbraw/zinc/81/72/87/1384817287.db2.gz GMRFOUHXQZNKLO-LWYYNNOASA-N 2 1 344.499 3.490 20 0 EGADMP CCCC[C@@H]1C[C@H]([N@@H+](C)C[C@H](C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172638125 1384824336 /nfs/dbraw/zinc/82/43/36/1384824336.db2.gz UOPNPPGOAASJPQ-BRWVUGGUSA-N 2 1 341.540 3.471 20 0 EGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001317059437 1384832510 /nfs/dbraw/zinc/83/25/10/1384832510.db2.gz NHZLRCDPLWBUKX-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)C1)C1CCCCC1 ZINC001317060991 1384833322 /nfs/dbraw/zinc/83/33/22/1384833322.db2.gz DVUQURAQQLSOHH-IBGZPJMESA-N 2 1 343.515 3.032 20 0 EGADMP Cc1ccc2c(c1)C[C@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CC2 ZINC001172830409 1384860749 /nfs/dbraw/zinc/86/07/49/1384860749.db2.gz IIYIXIIATPJYLY-LJQANCHMSA-N 3 1 331.548 3.328 20 0 EGADMP CO[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001172953181 1384888655 /nfs/dbraw/zinc/88/86/55/1384888655.db2.gz ZGJNJHORCAKOGQ-MXEMCNAFSA-N 2 1 328.500 3.398 20 0 EGADMP CO[C@@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001172953181 1384888660 /nfs/dbraw/zinc/88/86/60/1384888660.db2.gz ZGJNJHORCAKOGQ-MXEMCNAFSA-N 2 1 328.500 3.398 20 0 EGADMP CO[C@@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001172953181 1384888663 /nfs/dbraw/zinc/88/86/63/1384888663.db2.gz ZGJNJHORCAKOGQ-MXEMCNAFSA-N 2 1 328.500 3.398 20 0 EGADMP CC[NH+]1CCC([N@H+](C)[C@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172963270 1384891430 /nfs/dbraw/zinc/89/14/30/1384891430.db2.gz GEKOFZKLTQJRMP-OAHLLOKOSA-N 2 1 327.513 3.048 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)[C@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172963270 1384891433 /nfs/dbraw/zinc/89/14/33/1384891433.db2.gz GEKOFZKLTQJRMP-OAHLLOKOSA-N 2 1 327.513 3.048 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)CC1 ZINC001173110808 1384916755 /nfs/dbraw/zinc/91/67/55/1384916755.db2.gz YKCUQSCAFUTQHU-QDIHITRGSA-N 2 1 336.442 3.275 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCc3c(cccc3C(=O)OC)C2)CC1 ZINC001173112973 1384918034 /nfs/dbraw/zinc/91/80/34/1384918034.db2.gz FVRPUMYPXMQMAM-UHFFFAOYSA-N 2 1 344.499 3.484 20 0 EGADMP c1nc2c(s1)C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001173122296 1384918445 /nfs/dbraw/zinc/91/84/45/1384918445.db2.gz XEBHWNWRAQPLRP-SJORKVTESA-N 2 1 327.497 3.112 20 0 EGADMP CCc1ccc(C[C@@H](C)[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1 ZINC001173248654 1384945405 /nfs/dbraw/zinc/94/54/05/1384945405.db2.gz WNHQJTDYDJPTNI-MRXNPFEDSA-N 2 1 329.488 3.310 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H]3CC[C@@H](CC)C3)CC2)C1 ZINC001173282756 1384951365 /nfs/dbraw/zinc/95/13/65/1384951365.db2.gz QMKLIWGJJCTOSJ-LMMKCTJWSA-N 2 1 336.520 3.305 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H]3CC[C@@H](CC)C3)CC2)C1 ZINC001173282756 1384951368 /nfs/dbraw/zinc/95/13/68/1384951368.db2.gz QMKLIWGJJCTOSJ-LMMKCTJWSA-N 2 1 336.520 3.305 20 0 EGADMP CC[N@H+]1CC[C@@H](n2cc(CC[NH3+])c3ccc(Br)cc32)C1 ZINC001173351887 1384963685 /nfs/dbraw/zinc/96/36/85/1384963685.db2.gz FQKJBEBNIGGBHH-CQSZACIVSA-N 2 1 336.277 3.172 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C[C@H]2CCCC[NH+]2Cc2ccc(OC)cc2)C1 ZINC001173367249 1384965629 /nfs/dbraw/zinc/96/56/29/1384965629.db2.gz FJALPGIGYMDNEG-VQTJNVASSA-N 2 1 345.531 3.076 20 0 EGADMP CC[NH+]1CC[C@H](N(C)C[C@H]2CCCC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC001173367249 1384965633 /nfs/dbraw/zinc/96/56/33/1384965633.db2.gz FJALPGIGYMDNEG-VQTJNVASSA-N 2 1 345.531 3.076 20 0 EGADMP CC[NH+]1CC[C@H](N(C)C[C@H]2CCCC[N@H+]2Cc2ccc(OC)cc2)C1 ZINC001173367249 1384965636 /nfs/dbraw/zinc/96/56/36/1384965636.db2.gz FJALPGIGYMDNEG-VQTJNVASSA-N 2 1 345.531 3.076 20 0 EGADMP CC[N@H+]1CC[C@@H](N2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001173366807 1384966014 /nfs/dbraw/zinc/96/60/14/1384966014.db2.gz BYSZOPJWWAXEKS-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP CC[NH+]1CC[C@@H](N2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001173366807 1384966016 /nfs/dbraw/zinc/96/60/16/1384966016.db2.gz BYSZOPJWWAXEKS-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP CC[NH+]1CC[C@@H](N2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001173366807 1384966019 /nfs/dbraw/zinc/96/60/19/1384966019.db2.gz BYSZOPJWWAXEKS-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001173621593 1384990214 /nfs/dbraw/zinc/99/02/14/1384990214.db2.gz YMGVOUCZSQGJCL-AZUAARDMSA-N 2 1 344.499 3.363 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2CCN(c3[nH+]cccc3C)CC2)C1 ZINC001173645162 1384994684 /nfs/dbraw/zinc/99/46/84/1384994684.db2.gz VKTUOEHMFYIQHL-WMZOPIPTSA-N 2 1 345.487 3.070 20 0 EGADMP C[C@@H]1CC([N@@H+](C)C2CCC([NH3+])CC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173676503 1385001843 /nfs/dbraw/zinc/00/18/43/1385001843.db2.gz UADWBTVINZELLO-WXLSXGNJSA-N 2 1 339.524 3.365 20 0 EGADMP C[C@@H]1CC([NH2+][C@H]2CCC[N@@H+](C)CC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173676610 1385001883 /nfs/dbraw/zinc/00/18/83/1385001883.db2.gz YGGFONOXSAWSNO-OAGGEKHMSA-N 2 1 339.524 3.237 20 0 EGADMP COC(=O)c1ccc(C[C@@H](C)[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1 ZINC001173728350 1385010400 /nfs/dbraw/zinc/01/04/00/1385010400.db2.gz RYUVZXIMXZUREJ-QGZVFWFLSA-N 2 1 346.515 3.456 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173743733 1385012461 /nfs/dbraw/zinc/01/24/61/1385012461.db2.gz MPKXUWSQJHPJMB-OWYHZJEWSA-N 2 1 346.523 3.061 20 0 EGADMP C[NH+](C)Cc1ccccc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001173930153 1385032904 /nfs/dbraw/zinc/03/29/04/1385032904.db2.gz STSVEODDUIIDJJ-UHFFFAOYSA-N 2 1 325.456 3.324 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001317382208 1385108486 /nfs/dbraw/zinc/10/84/86/1385108486.db2.gz WCAJWHODFGJDGW-RTBURBONSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001317382208 1385108488 /nfs/dbraw/zinc/10/84/88/1385108488.db2.gz WCAJWHODFGJDGW-RTBURBONSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](CC)c1ccc(F)cc1 ZINC001317448345 1385148678 /nfs/dbraw/zinc/14/86/78/1385148678.db2.gz KKSBEDXGSBRHEA-MOPGFXCFSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](CC)c1ccc(F)cc1 ZINC001317448345 1385148681 /nfs/dbraw/zinc/14/86/81/1385148681.db2.gz KKSBEDXGSBRHEA-MOPGFXCFSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](CC)c1ccc(F)cc1 ZINC001317448345 1385148682 /nfs/dbraw/zinc/14/86/82/1385148682.db2.gz KKSBEDXGSBRHEA-MOPGFXCFSA-N 2 1 349.494 3.199 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001174880752 1385164289 /nfs/dbraw/zinc/16/42/89/1385164289.db2.gz GVYHYIFMWAJRPD-XLIONFOSSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175257205 1385231960 /nfs/dbraw/zinc/23/19/60/1385231960.db2.gz WUTGSVWTPJJNDY-DLBZAZTESA-N 2 1 325.541 3.172 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175257181 1385232030 /nfs/dbraw/zinc/23/20/30/1385232030.db2.gz WCUAOUSCFQENIN-ROUUACIJSA-N 2 1 335.536 3.236 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001317554193 1385318451 /nfs/dbraw/zinc/31/84/51/1385318451.db2.gz UUNMYWISSYYRIZ-WOJBJXKFSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001317554193 1385318453 /nfs/dbraw/zinc/31/84/53/1385318453.db2.gz UUNMYWISSYYRIZ-WOJBJXKFSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001317554193 1385318459 /nfs/dbraw/zinc/31/84/59/1385318459.db2.gz UUNMYWISSYYRIZ-WOJBJXKFSA-N 2 1 343.515 3.203 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001175566780 1385334567 /nfs/dbraw/zinc/33/45/67/1385334567.db2.gz ZWCDZOJUAGHSNL-KRWDZBQOSA-N 2 1 348.535 3.461 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001175574535 1385336494 /nfs/dbraw/zinc/33/64/94/1385336494.db2.gz XOFZPBUKCMJZHA-PKOBYXMFSA-N 2 1 337.552 3.314 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NCC[N@@H+](CC1CCCCC1)C1CC1 ZINC001317562034 1385341298 /nfs/dbraw/zinc/34/12/98/1385341298.db2.gz SFDHFIGRWNDBOF-UHFFFAOYSA-N 2 1 335.536 3.023 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC001175905917 1385434551 /nfs/dbraw/zinc/43/45/51/1385434551.db2.gz FIXYCJAPDWCYCS-WOJBJXKFSA-N 2 1 333.495 3.379 20 0 EGADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001176057712 1385473801 /nfs/dbraw/zinc/47/38/01/1385473801.db2.gz RRTLWNULGOCEGD-SJLPKXTDSA-N 2 1 345.531 3.093 20 0 EGADMP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001176165416 1385501130 /nfs/dbraw/zinc/50/11/30/1385501130.db2.gz KWCTVILLPNMQKQ-AZUAARDMSA-N 2 1 345.531 3.101 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1c(C)cccc1C ZINC001176279854 1385536767 /nfs/dbraw/zinc/53/67/67/1385536767.db2.gz ROLUKKWZZIOBFD-IBGZPJMESA-N 2 1 347.547 3.410 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176566151 1385627749 /nfs/dbraw/zinc/62/77/49/1385627749.db2.gz YWVKOIUXRNQUBQ-PKOBYXMFSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH2+]CCCC1CCCC1 ZINC001176591564 1385634790 /nfs/dbraw/zinc/63/47/90/1385634790.db2.gz MKIPVOWQRGFSHJ-KRWDZBQOSA-N 2 1 348.535 3.427 20 0 EGADMP CCOC(=O)[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001176650011 1385646179 /nfs/dbraw/zinc/64/61/79/1385646179.db2.gz NDDCXFIILJPJLZ-LJQANCHMSA-N 2 1 330.472 3.058 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CC2(CCC2)C1 ZINC001176753026 1385683276 /nfs/dbraw/zinc/68/32/76/1385683276.db2.gz CJIVUZIKQNWKHD-QGZVFWFLSA-N 2 1 337.552 3.172 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001176759849 1385686823 /nfs/dbraw/zinc/68/68/23/1385686823.db2.gz MJHRIQRJSGTRCC-YLJYHZDGSA-N 2 1 345.531 3.354 20 0 EGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176760074 1385687241 /nfs/dbraw/zinc/68/72/41/1385687241.db2.gz POCIEZYUZWYIAV-ROUUACIJSA-N 2 1 325.541 3.316 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001176991446 1385765683 /nfs/dbraw/zinc/76/56/83/1385765683.db2.gz BBLORDDQRRJBBG-OALUTQOASA-N 2 1 331.504 3.108 20 0 EGADMP CC[C@H](CNC(=O)Cn1cc[nH+]c1C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC001318582656 1385770887 /nfs/dbraw/zinc/77/08/87/1385770887.db2.gz SUQYSQISQKSCOK-SJLPKXTDSA-N 2 1 342.487 3.252 20 0 EGADMP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001177328670 1385916033 /nfs/dbraw/zinc/91/60/33/1385916033.db2.gz QHZNWYFQHJPFCI-UYAOXDASSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CCC[NH2+]CC=C(C)C)CC1CCCC1 ZINC001177466752 1385966336 /nfs/dbraw/zinc/96/63/36/1385966336.db2.gz FQKJYLHSGDWIAJ-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC2(CC[NH+](CC(CC)CC)C2)CC1 ZINC001319146284 1385979035 /nfs/dbraw/zinc/97/90/35/1385979035.db2.gz XGRYAOVYIDDZTH-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC2(CC[N@H+](CC(CC)CC)C2)CC1 ZINC001319146284 1385979039 /nfs/dbraw/zinc/97/90/39/1385979039.db2.gz XGRYAOVYIDDZTH-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC2(CC[N@@H+](CC(CC)CC)C2)CC1 ZINC001319146284 1385979042 /nfs/dbraw/zinc/97/90/42/1385979042.db2.gz XGRYAOVYIDDZTH-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP Cc1cccc(C)c1C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001319186960 1385998331 /nfs/dbraw/zinc/99/83/31/1385998331.db2.gz ZUCDMWWURRCINV-UZLBHIALSA-N 2 1 345.531 3.018 20 0 EGADMP CC(C)c1ccccc1C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001319209187 1386006503 /nfs/dbraw/zinc/00/65/03/1386006503.db2.gz NJHHIOXIPNRNEY-XLIONFOSSA-N 2 1 345.531 3.136 20 0 EGADMP O=c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH]1 ZINC001178285079 1386180315 /nfs/dbraw/zinc/18/03/15/1386180315.db2.gz JRRGSCAWUJKXOA-SLFFLAALSA-N 2 1 337.467 3.178 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC1(C[NH2+]CC2CC(C)C2)CCCC1 ZINC001698634249 1406278342 /nfs/dbraw/zinc/27/83/42/1406278342.db2.gz ROKMDDTXGNMACS-UHFFFAOYSA-N 2 1 346.519 3.071 20 0 EGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001178877471 1386336197 /nfs/dbraw/zinc/33/61/97/1386336197.db2.gz BYGGIUWZWQGYKU-FHWLQOOXSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccccc1C ZINC001319866068 1386344571 /nfs/dbraw/zinc/34/45/71/1386344571.db2.gz ZRDAUWQMYAYFSQ-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]Cc1ccccc1C ZINC001319866065 1386344580 /nfs/dbraw/zinc/34/45/80/1386344580.db2.gz ZRDAUWQMYAYFSQ-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP CC(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001178921062 1386350268 /nfs/dbraw/zinc/35/02/68/1386350268.db2.gz VDLBSXHIVVNHMY-SFHVURJKSA-N 2 1 325.541 3.029 20 0 EGADMP CCC/C=C/CC[NH2+]CCCCCCNC(=O)Cn1c[nH+]cc1C ZINC001179029726 1386382297 /nfs/dbraw/zinc/38/22/97/1386382297.db2.gz QXALQNUMMXSDJQ-AATRIKPKSA-N 2 1 334.508 3.204 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001319932155 1386400844 /nfs/dbraw/zinc/40/08/44/1386400844.db2.gz JCVDZUJCUZCYHJ-INIZCTEOSA-N 2 1 336.549 3.215 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001319932155 1386400845 /nfs/dbraw/zinc/40/08/45/1386400845.db2.gz JCVDZUJCUZCYHJ-INIZCTEOSA-N 2 1 336.549 3.215 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC001319932155 1386400846 /nfs/dbraw/zinc/40/08/46/1386400846.db2.gz JCVDZUJCUZCYHJ-INIZCTEOSA-N 2 1 336.549 3.215 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC001319932155 1386400847 /nfs/dbraw/zinc/40/08/47/1386400847.db2.gz JCVDZUJCUZCYHJ-INIZCTEOSA-N 2 1 336.549 3.215 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001320008151 1386449655 /nfs/dbraw/zinc/44/96/55/1386449655.db2.gz DFHDVIBAEMZKDG-LJQANCHMSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001320008151 1386449658 /nfs/dbraw/zinc/44/96/58/1386449658.db2.gz DFHDVIBAEMZKDG-LJQANCHMSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)CCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001320008151 1386449659 /nfs/dbraw/zinc/44/96/59/1386449659.db2.gz DFHDVIBAEMZKDG-LJQANCHMSA-N 2 1 349.494 3.151 20 0 EGADMP CCC/C=C/CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001179580617 1386521495 /nfs/dbraw/zinc/52/14/95/1386521495.db2.gz KESPRBIFVUVZCW-UEKDZROGSA-N 2 1 337.552 3.483 20 0 EGADMP Cc1cccc(C[NH2+]CCCCCCNC(=O)C[N@@H+]2CCC[C@@H]2C)c1 ZINC001179580644 1386521804 /nfs/dbraw/zinc/52/18/04/1386521804.db2.gz KYOJYHVJWIJBFU-IBGZPJMESA-N 2 1 345.531 3.246 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001179585449 1386523408 /nfs/dbraw/zinc/52/34/08/1386523408.db2.gz HZXPWSOYFIHDSO-RTBURBONSA-N 2 1 339.568 3.277 20 0 EGADMP CCC[NH2+]CCCCCCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001180039971 1386677707 /nfs/dbraw/zinc/67/77/07/1386677707.db2.gz SNSDCOCKYFHZIQ-LJQANCHMSA-N 2 1 333.520 3.356 20 0 EGADMP CC(C)[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)CS1 ZINC001320719005 1386700449 /nfs/dbraw/zinc/70/04/49/1386700449.db2.gz KQKCGUJDMUPNKG-VQTJNVASSA-N 2 1 347.572 3.054 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC/C=C\c2ccccc2)[C@@H]1C ZINC001180226660 1386738603 /nfs/dbraw/zinc/73/86/03/1386738603.db2.gz FSEXRCFJXCIBJH-KPHVFVAGSA-N 2 1 343.515 3.009 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCCCCC[NH2+]C[C@H](C)CC(C)C ZINC001180274498 1386752141 /nfs/dbraw/zinc/75/21/41/1386752141.db2.gz HIECUPVIUYVXGS-QGZVFWFLSA-N 2 1 336.524 3.140 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCCCCCC[NH2+]CCC1CC1)c1ccccc1 ZINC001180375586 1386778357 /nfs/dbraw/zinc/77/83/57/1386778357.db2.gz JYDXIXAJPIRJBP-HXUWFJFHSA-N 2 1 345.531 3.356 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001180452191 1386800582 /nfs/dbraw/zinc/80/05/82/1386800582.db2.gz PSFALAJCDGKQGX-IBGZPJMESA-N 2 1 347.547 3.431 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001180452191 1386800587 /nfs/dbraw/zinc/80/05/87/1386800587.db2.gz PSFALAJCDGKQGX-IBGZPJMESA-N 2 1 347.547 3.431 20 0 EGADMP CCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181441883 1386994998 /nfs/dbraw/zinc/99/49/98/1386994998.db2.gz RZURRBDCZCJGRU-QWFCFKBJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001181720469 1387044703 /nfs/dbraw/zinc/04/47/03/1387044703.db2.gz GCZUZLXRTDZBAX-SVFBPWRDSA-N 2 1 349.563 3.005 20 0 EGADMP CCCC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181728898 1387046536 /nfs/dbraw/zinc/04/65/36/1387046536.db2.gz TWJJRUDJYVIGMB-QWFCFKBJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001698698754 1406341634 /nfs/dbraw/zinc/34/16/34/1406341634.db2.gz JHCVWIRKYKEBOJ-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182591170 1387193223 /nfs/dbraw/zinc/19/32/23/1387193223.db2.gz UVULWIPMPZUQQP-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001182693012 1387207640 /nfs/dbraw/zinc/20/76/40/1387207640.db2.gz QPPHFEFNYVIHCG-HZPDHXFCSA-N 2 1 334.508 3.023 20 0 EGADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(-c2cnn(C)c2)c1 ZINC001329434267 1389110624 /nfs/dbraw/zinc/11/06/24/1389110624.db2.gz WZFMMSGOLJBUIK-UHFFFAOYSA-N 2 1 338.499 3.361 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2sc(CCOC)nc2C)C1 ZINC001337108177 1389255442 /nfs/dbraw/zinc/25/54/42/1389255442.db2.gz DYJFYRUFSVEFLU-UKRRQHHQSA-N 2 1 325.522 3.023 20 0 EGADMP Cc1ccc(C)c(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001698750534 1406401619 /nfs/dbraw/zinc/40/16/19/1406401619.db2.gz YTUUXAPXPZXHMO-YLJYHZDGSA-N 2 1 345.531 3.018 20 0 EGADMP CCC[NH2+]C1(CNC(=O)[C@@H](C)CC)CC[NH+](Cc2ccccc2)CC1 ZINC001333012839 1390236637 /nfs/dbraw/zinc/23/66/37/1390236637.db2.gz FDULCWLPHNOTOA-SFHVURJKSA-N 2 1 345.531 3.183 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001333118802 1390251475 /nfs/dbraw/zinc/25/14/75/1390251475.db2.gz BEBOOQRKXBVKFK-WWDZGPRUSA-N 2 1 348.535 3.268 20 0 EGADMP COc1ccc2c(c1)[nH+]ccc2N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001333423135 1390301044 /nfs/dbraw/zinc/30/10/44/1390301044.db2.gz PJIOOHCAHYWCAQ-OAHLLOKOSA-N 2 1 336.439 3.436 20 0 EGADMP CC(C)C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001341701031 1390519001 /nfs/dbraw/zinc/51/90/01/1390519001.db2.gz MPPATERGBNMGOJ-YSIASYRMSA-N 2 1 345.531 3.261 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cn4cc(Cl)ccc4n3)C[C@@H]2C1 ZINC001334358015 1390523984 /nfs/dbraw/zinc/52/39/84/1390523984.db2.gz WEJBFPSRPILIDS-JKIFEVAISA-N 2 1 332.879 3.150 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC001343372443 1390709871 /nfs/dbraw/zinc/70/98/71/1390709871.db2.gz QUFCQZJSJOAQOL-JQHSSLGASA-N 2 1 329.488 3.375 20 0 EGADMP Cc1cc(NC(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cc(C)[nH+]1 ZINC001348901129 1391281475 /nfs/dbraw/zinc/28/14/75/1391281475.db2.gz FUPSJPKAHBELKP-APWZRJJASA-N 2 1 344.503 3.272 20 0 EGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)c1 ZINC001349366678 1391323967 /nfs/dbraw/zinc/32/39/67/1391323967.db2.gz DESFYWUXPWMAAI-SZVBFZGTSA-N 2 1 329.488 3.116 20 0 EGADMP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001480380747 1392723946 /nfs/dbraw/zinc/72/39/46/1392723946.db2.gz XKCISLABCDLYIF-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001480575692 1392798420 /nfs/dbraw/zinc/79/84/20/1392798420.db2.gz UHNPCDSFVVKQTK-HNAYVOBHSA-N 2 1 349.494 3.029 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@@H]([N@@H+](C)CCCC(C)(C)C)C2)CCC1 ZINC001480729666 1392892426 /nfs/dbraw/zinc/89/24/26/1392892426.db2.gz FXMSQOACTNMNLK-QGZVFWFLSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480733634 1392897131 /nfs/dbraw/zinc/89/71/31/1392897131.db2.gz QEQZMTZRTTYUGL-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccc(C)cc1C ZINC001480979392 1393063526 /nfs/dbraw/zinc/06/35/26/1393063526.db2.gz HXLOSXFECZGUMD-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccc(C)cc1C ZINC001480979392 1393063528 /nfs/dbraw/zinc/06/35/28/1393063528.db2.gz HXLOSXFECZGUMD-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccc(C)cc1C ZINC001480979392 1393063531 /nfs/dbraw/zinc/06/35/31/1393063531.db2.gz HXLOSXFECZGUMD-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCC2(CC2)CC1)[NH+](C)C ZINC001481064239 1393111065 /nfs/dbraw/zinc/11/10/65/1393111065.db2.gz GRZGZASWBLGBRE-RTBURBONSA-N 2 1 349.563 3.124 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCCCC1)C1CCCCC1 ZINC001698882131 1406612099 /nfs/dbraw/zinc/61/20/99/1406612099.db2.gz UVKHKIADDNQJAW-WOJBJXKFSA-N 2 1 349.563 3.316 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001490561025 1394260381 /nfs/dbraw/zinc/26/03/81/1394260381.db2.gz MLTQIPDKBYHULR-RTBURBONSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001490561025 1394260382 /nfs/dbraw/zinc/26/03/82/1394260382.db2.gz MLTQIPDKBYHULR-RTBURBONSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001490561025 1394260384 /nfs/dbraw/zinc/26/03/84/1394260384.db2.gz MLTQIPDKBYHULR-RTBURBONSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CCC2CC2)CC1 ZINC001481515290 1394363856 /nfs/dbraw/zinc/36/38/56/1394363856.db2.gz JNVALLFTZNTLRC-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CCC2CC2)CC1 ZINC001481515290 1394363859 /nfs/dbraw/zinc/36/38/59/1394363859.db2.gz JNVALLFTZNTLRC-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CCC2CC2)CC1 ZINC001481515290 1394363864 /nfs/dbraw/zinc/36/38/64/1394363864.db2.gz JNVALLFTZNTLRC-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001481539466 1394401507 /nfs/dbraw/zinc/40/15/07/1394401507.db2.gz PDSKRRJKNAGSBM-ICSRJNTNSA-N 2 1 343.515 3.204 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001491120637 1394439571 /nfs/dbraw/zinc/43/95/71/1394439571.db2.gz PIPFKMJPAZMXPN-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CCCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001698951577 1406692023 /nfs/dbraw/zinc/69/20/23/1406692023.db2.gz FLQSPCITTBQZTG-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001698951577 1406692028 /nfs/dbraw/zinc/69/20/28/1406692028.db2.gz FLQSPCITTBQZTG-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001698951577 1406692030 /nfs/dbraw/zinc/69/20/30/1406692030.db2.gz FLQSPCITTBQZTG-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001482173000 1394786673 /nfs/dbraw/zinc/78/66/73/1394786673.db2.gz DCDZQKCDKWUBDK-OXQOHEQNSA-N 2 1 345.531 3.020 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001483913102 1395141913 /nfs/dbraw/zinc/14/19/13/1395141913.db2.gz SMKHKPUCZYATJE-SJLPKXTDSA-N 2 1 339.568 3.370 20 0 EGADMP CCCc1ccc(C[N@H+]2CC[C@](C)(NC(=O)CC[NH+](C)CC)C2)cc1 ZINC001484065745 1395228170 /nfs/dbraw/zinc/22/81/70/1395228170.db2.gz ZAUROROXBZPQBU-NRFANRHFSA-N 2 1 345.531 3.062 20 0 EGADMP CCCc1ccc(C[NH+]2CC[C@](C)(NC(=O)CC[N@H+](C)CC)C2)cc1 ZINC001484065745 1395228174 /nfs/dbraw/zinc/22/81/74/1395228174.db2.gz ZAUROROXBZPQBU-NRFANRHFSA-N 2 1 345.531 3.062 20 0 EGADMP CCCc1ccc(C[NH+]2CC[C@](C)(NC(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001484065745 1395228178 /nfs/dbraw/zinc/22/81/78/1395228178.db2.gz ZAUROROXBZPQBU-NRFANRHFSA-N 2 1 345.531 3.062 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)CC1)[NH+](C)C ZINC001484723964 1395487640 /nfs/dbraw/zinc/48/76/40/1395487640.db2.gz LTURTAGWUDIRLA-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1ccccc1 ZINC001698989032 1406775344 /nfs/dbraw/zinc/77/53/44/1406775344.db2.gz GRKJUPBHAWRBMX-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001698989032 1406775348 /nfs/dbraw/zinc/77/53/48/1406775348.db2.gz GRKJUPBHAWRBMX-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001698989032 1406775352 /nfs/dbraw/zinc/77/53/52/1406775352.db2.gz GRKJUPBHAWRBMX-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP CC/C=C\CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001485239458 1395733020 /nfs/dbraw/zinc/73/30/20/1395733020.db2.gz OZKKXVDENVEQRC-MZCYRKOTSA-N 2 1 335.536 3.186 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCCCC1 ZINC001485484731 1395970742 /nfs/dbraw/zinc/97/07/42/1395970742.db2.gz KKIHYPUVQXMCED-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCCCC[N@H+]1CC1CCCCC1 ZINC001485484731 1395970749 /nfs/dbraw/zinc/97/07/49/1395970749.db2.gz KKIHYPUVQXMCED-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1 ZINC001492256633 1396316740 /nfs/dbraw/zinc/31/67/40/1396316740.db2.gz ILQBAMCWAZGAKO-MBOZVWFJSA-N 2 1 345.531 3.259 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1ccccc1F ZINC001492317106 1396319062 /nfs/dbraw/zinc/31/90/62/1396319062.db2.gz WEUPTBAXVAPZFP-APWZRJJASA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1ccccc1F ZINC001492317106 1396319063 /nfs/dbraw/zinc/31/90/63/1396319063.db2.gz WEUPTBAXVAPZFP-APWZRJJASA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)c1ccccc1F ZINC001492317106 1396319064 /nfs/dbraw/zinc/31/90/64/1396319064.db2.gz WEUPTBAXVAPZFP-APWZRJJASA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)c1ccccc1F ZINC001492317106 1396319065 /nfs/dbraw/zinc/31/90/65/1396319065.db2.gz WEUPTBAXVAPZFP-APWZRJJASA-N 2 1 349.494 3.055 20 0 EGADMP Cc1cc(C)c(C[N@@H+](C)CCNC(=O)CCC[NH+]2CCCC2)c(C)c1 ZINC001492873529 1396327519 /nfs/dbraw/zinc/32/75/19/1396327519.db2.gz JPWWCMRSNIBZFL-UHFFFAOYSA-N 2 1 345.531 3.036 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001497297390 1396745293 /nfs/dbraw/zinc/74/52/93/1396745293.db2.gz FEYYZDOBTNDZRB-DNVCBOLYSA-N 2 1 349.494 3.029 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001498154521 1396927292 /nfs/dbraw/zinc/92/72/92/1396927292.db2.gz ZVINXLRWNKNBSB-DLBZAZTESA-N 2 1 341.499 3.337 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CCCC(C)(C)C)C2)CC[N@H+]1C ZINC001690045593 1404279976 /nfs/dbraw/zinc/27/99/76/1404279976.db2.gz UDUOYUDMXNUXLG-BZSNNMDCSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CCCC(C)(C)C)C2)CC[NH+]1C ZINC001690045593 1404279977 /nfs/dbraw/zinc/27/99/77/1404279977.db2.gz UDUOYUDMXNUXLG-BZSNNMDCSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCCC(C)(C)C)C2)CC[NH+]1C ZINC001690045593 1404279985 /nfs/dbraw/zinc/27/99/85/1404279985.db2.gz UDUOYUDMXNUXLG-BZSNNMDCSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)Cc2ccccc2C)C1 ZINC001690197116 1404405603 /nfs/dbraw/zinc/40/56/03/1404405603.db2.gz GZVGVQKIVPZNIW-IBGZPJMESA-N 2 1 345.531 3.007 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2C)C1 ZINC001690197116 1404405606 /nfs/dbraw/zinc/40/56/06/1404405606.db2.gz GZVGVQKIVPZNIW-IBGZPJMESA-N 2 1 345.531 3.007 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2C)C1 ZINC001690197116 1404405610 /nfs/dbraw/zinc/40/56/10/1404405610.db2.gz GZVGVQKIVPZNIW-IBGZPJMESA-N 2 1 345.531 3.007 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001690198041 1404409272 /nfs/dbraw/zinc/40/92/72/1404409272.db2.gz ZYMIGKYBZOBFOS-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(CC)cc1 ZINC001690485785 1404601416 /nfs/dbraw/zinc/60/14/16/1404601416.db2.gz FNFZPQUSSALHDI-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1 ZINC001690487267 1404601729 /nfs/dbraw/zinc/60/17/29/1404601729.db2.gz MNZLIKHXWYWHKL-PKOBYXMFSA-N 2 1 331.504 3.059 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001690824309 1404760921 /nfs/dbraw/zinc/76/09/21/1404760921.db2.gz AQPVUGLZQGGWSZ-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001690824309 1404760923 /nfs/dbraw/zinc/76/09/23/1404760923.db2.gz AQPVUGLZQGGWSZ-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001690824309 1404760925 /nfs/dbraw/zinc/76/09/25/1404760925.db2.gz AQPVUGLZQGGWSZ-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001690947322 1404855068 /nfs/dbraw/zinc/85/50/68/1404855068.db2.gz KYCZXTLXLFXTPV-XLIONFOSSA-N 2 1 343.515 3.203 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001690947322 1404855072 /nfs/dbraw/zinc/85/50/72/1404855072.db2.gz KYCZXTLXLFXTPV-XLIONFOSSA-N 2 1 343.515 3.203 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001690947322 1404855077 /nfs/dbraw/zinc/85/50/77/1404855077.db2.gz KYCZXTLXLFXTPV-XLIONFOSSA-N 2 1 343.515 3.203 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[N@H+](C)CC[C@@H]1CCC[C@@H](C)C1 ZINC001690980494 1404890958 /nfs/dbraw/zinc/89/09/58/1404890958.db2.gz JQIXVHDURKPKPG-MSOLQXFVSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[N@@H+](C)CC[C@@H]1CCC[C@@H](C)C1 ZINC001690980494 1404890961 /nfs/dbraw/zinc/89/09/61/1404890961.db2.gz JQIXVHDURKPKPG-MSOLQXFVSA-N 2 1 348.535 3.271 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCCCC1 ZINC001691072497 1405004571 /nfs/dbraw/zinc/00/45/71/1405004571.db2.gz XUQVEWMRXZZFHK-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001691072497 1405004574 /nfs/dbraw/zinc/00/45/74/1405004574.db2.gz XUQVEWMRXZZFHK-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC2(C[C@H]1C)CC[NH+](C(C)C)CC2 ZINC001691960487 1405678272 /nfs/dbraw/zinc/67/82/72/1405678272.db2.gz RPXBXWACEMBWTD-QGZVFWFLSA-N 2 1 346.519 3.083 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001731630241 1427681735 /nfs/dbraw/zinc/68/17/35/1427681735.db2.gz WJACAZHUJNXWNF-AOCRQIFASA-N 2 1 339.568 3.275 20 0 EGADMP CCN(C(=O)CC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001698586985 1406204828 /nfs/dbraw/zinc/20/48/28/1406204828.db2.gz MCWPGVPRNGLWQJ-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP Cc1cc(C)c(C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)c(C)c1 ZINC001699380414 1412688790 /nfs/dbraw/zinc/68/87/90/1412688790.db2.gz MCUQRROGWGPOJK-GOSISDBHSA-N 2 1 347.547 3.184 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001699853025 1413282831 /nfs/dbraw/zinc/28/28/31/1413282831.db2.gz GQTPCYITBJBIDR-UZLBHIALSA-N 2 1 349.494 3.057 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@]1(C)CCC[NH+]([C@H](C)c2ccccc2)C1 ZINC001699877381 1413338541 /nfs/dbraw/zinc/33/85/41/1413338541.db2.gz WRKFJUWRYOOYBA-WIYYLYMNSA-N 2 1 345.531 3.308 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001699877381 1413338545 /nfs/dbraw/zinc/33/85/45/1413338545.db2.gz WRKFJUWRYOOYBA-WIYYLYMNSA-N 2 1 345.531 3.308 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001699877381 1413338548 /nfs/dbraw/zinc/33/85/48/1413338548.db2.gz WRKFJUWRYOOYBA-WIYYLYMNSA-N 2 1 345.531 3.308 20 0 EGADMP CC(C)[C@@H](C(=O)N(C)CCC[N@@H+](C)CC1CCC1)[NH+]1CCCCC1 ZINC001700195650 1413635945 /nfs/dbraw/zinc/63/59/45/1413635945.db2.gz VJIFFZHTBYYCSQ-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+](CCC1CC1)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001700342986 1413826978 /nfs/dbraw/zinc/82/69/78/1413826978.db2.gz NVUQMPHZPPLLDB-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CCC1CC1)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001700342986 1413826984 /nfs/dbraw/zinc/82/69/84/1413826984.db2.gz NVUQMPHZPPLLDB-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C1CCC([NH2+][C@H](C)c2ccccc2)CC1 ZINC001700435557 1414001728 /nfs/dbraw/zinc/00/17/28/1414001728.db2.gz OZMNXBJFQOKNHG-QHGAOEGBSA-N 2 1 345.531 3.449 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]2CCC[NH+]2C)cc1 ZINC001732577408 1428779323 /nfs/dbraw/zinc/77/93/23/1428779323.db2.gz YYNLQDPCPGRAGT-YLJYHZDGSA-N 2 1 345.531 3.355 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001732577408 1428779328 /nfs/dbraw/zinc/77/93/28/1428779328.db2.gz YYNLQDPCPGRAGT-YLJYHZDGSA-N 2 1 345.531 3.355 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001732577408 1428779330 /nfs/dbraw/zinc/77/93/30/1428779330.db2.gz YYNLQDPCPGRAGT-YLJYHZDGSA-N 2 1 345.531 3.355 20 0 EGADMP CC(C)c1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001700755059 1414425899 /nfs/dbraw/zinc/42/58/99/1414425899.db2.gz FXAOKRLFYKIUKH-PXNSSMCTSA-N 2 1 345.531 3.231 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc2c[nH]cn2)c1 ZINC001732593464 1428822109 /nfs/dbraw/zinc/82/21/09/1428822109.db2.gz ABLWJRUOOCYXFK-IRXDYDNUSA-N 2 1 342.487 3.048 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc2cnc[nH]2)c1 ZINC001732593464 1428822118 /nfs/dbraw/zinc/82/21/18/1428822118.db2.gz ABLWJRUOOCYXFK-IRXDYDNUSA-N 2 1 342.487 3.048 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc2cnc[nH]2)c1 ZINC001732593464 1428822119 /nfs/dbraw/zinc/82/21/19/1428822119.db2.gz ABLWJRUOOCYXFK-IRXDYDNUSA-N 2 1 342.487 3.048 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001732628137 1428890689 /nfs/dbraw/zinc/89/06/89/1428890689.db2.gz UCVAZMZNCASMCY-VQTJNVASSA-N 2 1 345.531 3.020 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CCC1CCCC1 ZINC001707442631 1417346544 /nfs/dbraw/zinc/34/65/44/1417346544.db2.gz HLVVDGXCSAKICY-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCc1cccc(C[NH+]2CCC(N(C)C(=O)CC[N@H+](C)CC)CC2)c1 ZINC001713057442 1417612333 /nfs/dbraw/zinc/61/23/33/1417612333.db2.gz MRUWERSCJNMNQI-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP C[N@@H+](CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC1)C1CCCCC1 ZINC001713264671 1417873255 /nfs/dbraw/zinc/87/32/55/1417873255.db2.gz HDZRSFDRXRAWTI-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001713271397 1417883506 /nfs/dbraw/zinc/88/35/06/1417883506.db2.gz IRMFCBUQUXSNIZ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713393380 1418007105 /nfs/dbraw/zinc/00/71/05/1418007105.db2.gz JMJMVDCHRKWLQM-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC1CCCCC1 ZINC001713485918 1418179937 /nfs/dbraw/zinc/17/99/37/1418179937.db2.gz NIZIWPGCFBKYQQ-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CC1CCCCC1 ZINC001713485918 1418179942 /nfs/dbraw/zinc/17/99/42/1418179942.db2.gz NIZIWPGCFBKYQQ-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)CC1CCCCC1 ZINC001713485918 1418179951 /nfs/dbraw/zinc/17/99/51/1418179951.db2.gz NIZIWPGCFBKYQQ-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001713541785 1418303559 /nfs/dbraw/zinc/30/35/59/1418303559.db2.gz NUNRJPIMHIPBGB-OALUTQOASA-N 2 1 343.515 3.062 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001713555811 1418348493 /nfs/dbraw/zinc/34/84/93/1418348493.db2.gz YOFGCJHTHLSQOB-KSSFIOAISA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001713555811 1418348495 /nfs/dbraw/zinc/34/84/95/1418348495.db2.gz YOFGCJHTHLSQOB-KSSFIOAISA-N 2 1 349.906 3.076 20 0 EGADMP CCCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001713719525 1418489544 /nfs/dbraw/zinc/48/95/44/1418489544.db2.gz BYUDGTRNJKHBEU-HXUWFJFHSA-N 2 1 345.531 3.126 20 0 EGADMP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001714132781 1418935879 /nfs/dbraw/zinc/93/58/79/1418935879.db2.gz JBQFJXCGQQDLJN-IBGZPJMESA-N 2 1 337.552 3.412 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001714149655 1418956104 /nfs/dbraw/zinc/95/61/04/1418956104.db2.gz FANOHGYBWSSLMV-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@@H+](CCCC1CCCC1)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714544160 1419269210 /nfs/dbraw/zinc/26/92/10/1419269210.db2.gz UZIHITNSBARFBB-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Cc1ccccc1C(C)C ZINC001714591499 1419338686 /nfs/dbraw/zinc/33/86/86/1419338686.db2.gz BZHYXNLJNHFNRV-GOSISDBHSA-N 2 1 345.531 3.090 20 0 EGADMP CC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)Cc1ccccc1C(C)C ZINC001714591499 1419338689 /nfs/dbraw/zinc/33/86/89/1419338689.db2.gz BZHYXNLJNHFNRV-GOSISDBHSA-N 2 1 345.531 3.090 20 0 EGADMP CC[N@@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)c1cccc(C)c1 ZINC001714591750 1419339636 /nfs/dbraw/zinc/33/96/36/1419339636.db2.gz DXZXZXGGHWXDNG-GOSISDBHSA-N 2 1 347.547 3.472 20 0 EGADMP CC[NH+](CCNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)c1cccc(C)c1 ZINC001714591750 1419339640 /nfs/dbraw/zinc/33/96/40/1419339640.db2.gz DXZXZXGGHWXDNG-GOSISDBHSA-N 2 1 347.547 3.472 20 0 EGADMP CC[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)c1cccc(C)c1 ZINC001714591750 1419339642 /nfs/dbraw/zinc/33/96/42/1419339642.db2.gz DXZXZXGGHWXDNG-GOSISDBHSA-N 2 1 347.547 3.472 20 0 EGADMP CCc1cccc(C[NH+](CC)CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)c1 ZINC001714601157 1419357905 /nfs/dbraw/zinc/35/79/05/1419357905.db2.gz ZINWTTCLZKNEMM-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCc1cccc(C[NH+](CC)CCNC(=O)[C@@H]2CCCC[N@H+]2CC)c1 ZINC001714601157 1419357907 /nfs/dbraw/zinc/35/79/07/1419357907.db2.gz ZINWTTCLZKNEMM-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@@H](C)c1ccccc1C ZINC001714618338 1419382532 /nfs/dbraw/zinc/38/25/32/1419382532.db2.gz KQUXLAMSKNSFKU-OALUTQOASA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)c1ccccc1C ZINC001714618338 1419382534 /nfs/dbraw/zinc/38/25/34/1419382534.db2.gz KQUXLAMSKNSFKU-OALUTQOASA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)c1ccccc1C ZINC001714618338 1419382535 /nfs/dbraw/zinc/38/25/35/1419382535.db2.gz KQUXLAMSKNSFKU-OALUTQOASA-N 2 1 345.531 3.369 20 0 EGADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC001714716895 1419482143 /nfs/dbraw/zinc/48/21/43/1419482143.db2.gz QXVCXHOKLCOXQI-PXNSSMCTSA-N 2 1 343.515 3.203 20 0 EGADMP Cc1ccc(C[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2C)C(C)C)c(C)c1 ZINC001714819542 1419529644 /nfs/dbraw/zinc/52/96/44/1419529644.db2.gz NBYIUVFKIRRFAS-HXUWFJFHSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1ccc(C[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2C)C(C)C)c(C)c1 ZINC001714819542 1419529645 /nfs/dbraw/zinc/52/96/45/1419529645.db2.gz NBYIUVFKIRRFAS-HXUWFJFHSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CCCCC1 ZINC001714977134 1419711739 /nfs/dbraw/zinc/71/17/39/1419711739.db2.gz IEXWGVAKHNLMJA-QGZVFWFLSA-N 2 1 325.541 3.027 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001715023882 1419755373 /nfs/dbraw/zinc/75/53/73/1419755373.db2.gz GUQCZHMBBSQEFU-RBUKOAKNSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001715023882 1419755376 /nfs/dbraw/zinc/75/53/76/1419755376.db2.gz GUQCZHMBBSQEFU-RBUKOAKNSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001715023882 1419755377 /nfs/dbraw/zinc/75/53/77/1419755377.db2.gz GUQCZHMBBSQEFU-RBUKOAKNSA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+][C@@H](C)c1ccccc1 ZINC001715238542 1419968626 /nfs/dbraw/zinc/96/86/26/1419968626.db2.gz ZQWIFULQNLHWAH-AZUAARDMSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(CC[NH+](C)Cc2ccccc2)CC1 ZINC001715485267 1420165785 /nfs/dbraw/zinc/16/57/85/1420165785.db2.gz PTDUKWXRFDTTOR-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001715485267 1420165789 /nfs/dbraw/zinc/16/57/89/1420165789.db2.gz PTDUKWXRFDTTOR-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001715485267 1420165790 /nfs/dbraw/zinc/16/57/90/1420165790.db2.gz PTDUKWXRFDTTOR-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccccc1C ZINC001715951313 1420418406 /nfs/dbraw/zinc/41/84/06/1420418406.db2.gz YYUAPSJNRMHQNJ-SJORKVTESA-N 2 1 342.487 3.136 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CCC1CCCC1 ZINC001715956511 1420422220 /nfs/dbraw/zinc/42/22/20/1420422220.db2.gz AERLZOGFXLREOM-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)CCC1CCCC1 ZINC001715956511 1420422221 /nfs/dbraw/zinc/42/22/21/1420422221.db2.gz AERLZOGFXLREOM-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CCC1CCCC1 ZINC001715956511 1420422222 /nfs/dbraw/zinc/42/22/22/1420422222.db2.gz AERLZOGFXLREOM-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001716040952 1420502490 /nfs/dbraw/zinc/50/24/90/1420502490.db2.gz KIHQFRPWIKNZFB-PXNSSMCTSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001716065133 1420523730 /nfs/dbraw/zinc/52/37/30/1420523730.db2.gz JHVGUIXETYNKHC-IEBWSBKVSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C)c(C)c1 ZINC001716074146 1420529282 /nfs/dbraw/zinc/52/92/82/1420529282.db2.gz WEEIVDKIRIBQAW-VQTJNVASSA-N 2 1 345.531 3.020 20 0 EGADMP CC[C@H]([NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC001716464419 1420677196 /nfs/dbraw/zinc/67/71/96/1420677196.db2.gz PKVJEZDJJAZXNH-GUYCJALGSA-N 2 1 348.878 3.091 20 0 EGADMP C[C@@H](C[N@@H+](C)Cc1cccc(F)c1)NC(=O)CCC[NH+]1CCCCC1 ZINC001716505185 1420736118 /nfs/dbraw/zinc/73/61/18/1420736118.db2.gz BNVZCGCYDWQLIV-KRWDZBQOSA-N 2 1 349.494 3.028 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCCCC2)CC1 ZINC001716700553 1420853209 /nfs/dbraw/zinc/85/32/09/1420853209.db2.gz IDDGMPHTIRWHHZ-IBGZPJMESA-N 2 1 349.563 3.460 20 0 EGADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCCC(C)(C)C)CC1(C)C)[NH+](C)C ZINC001717311734 1421255832 /nfs/dbraw/zinc/25/58/32/1421255832.db2.gz GQLGCAURMUBERZ-SJORKVTESA-N 2 1 339.568 3.370 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001723520744 1424450297 /nfs/dbraw/zinc/45/02/97/1424450297.db2.gz CTYIALXMIXXCCH-SFHVURJKSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CC1)C1CCCCCC1 ZINC001723640962 1424508608 /nfs/dbraw/zinc/50/86/08/1424508608.db2.gz OEEXKPCIVLFQIT-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC1CC1)C1CCCCCC1 ZINC001723640962 1424508611 /nfs/dbraw/zinc/50/86/11/1424508611.db2.gz OEEXKPCIVLFQIT-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC1CC1)C1CCCCCC1 ZINC001723640962 1424508615 /nfs/dbraw/zinc/50/86/15/1424508615.db2.gz OEEXKPCIVLFQIT-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CCCc1ccc(C[NH+]2CC[C@@](C)(NC(=O)C[N@H+](C)CCC)C2)cc1 ZINC001724185232 1424719145 /nfs/dbraw/zinc/71/91/45/1424719145.db2.gz WHGUWHOLEMMONM-OAQYLSRUSA-N 2 1 345.531 3.062 20 0 EGADMP CCCc1ccc(C[N@H+]2CC[C@@](C)(NC(=O)C[NH+](C)CCC)C2)cc1 ZINC001724185232 1424719146 /nfs/dbraw/zinc/71/91/46/1424719146.db2.gz WHGUWHOLEMMONM-OAQYLSRUSA-N 2 1 345.531 3.062 20 0 EGADMP CCCc1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)C[NH+](C)CCC)C2)cc1 ZINC001724185232 1424719153 /nfs/dbraw/zinc/71/91/53/1424719153.db2.gz WHGUWHOLEMMONM-OAQYLSRUSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001724845490 1425195895 /nfs/dbraw/zinc/19/58/95/1425195895.db2.gz QNHZWGVGCDKMRL-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)cc(C)c2)CC1 ZINC001724845490 1425195900 /nfs/dbraw/zinc/19/59/00/1425195900.db2.gz QNHZWGVGCDKMRL-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2)CC1 ZINC001724845490 1425195903 /nfs/dbraw/zinc/19/59/03/1425195903.db2.gz QNHZWGVGCDKMRL-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001725030708 1425450631 /nfs/dbraw/zinc/45/06/31/1425450631.db2.gz YNSCJPXTMYGBHU-FHWLQOOXSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1cccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC001725143053 1425622663 /nfs/dbraw/zinc/62/26/63/1425622663.db2.gz LQSQRHVHTUGBLC-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccccc1C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001725240297 1425840780 /nfs/dbraw/zinc/84/07/80/1425840780.db2.gz HXVFDLVKAVEXQD-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1C ZINC001725564999 1426227491 /nfs/dbraw/zinc/22/74/91/1426227491.db2.gz ITGQGSHAJUDMDL-MJGOQNOKSA-N 2 1 345.531 3.052 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@H+]1CCCC(C)(C)C ZINC001725618239 1426281687 /nfs/dbraw/zinc/28/16/87/1426281687.db2.gz DZCNELIPEDTEMG-AEFFLSMTSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCC[NH+]1CCCC(C)(C)C ZINC001725618239 1426281689 /nfs/dbraw/zinc/28/16/89/1426281689.db2.gz DZCNELIPEDTEMG-AEFFLSMTSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCC[NH+]1CCCC(C)(C)C ZINC001725618239 1426281693 /nfs/dbraw/zinc/28/16/93/1426281693.db2.gz DZCNELIPEDTEMG-AEFFLSMTSA-N 2 1 337.552 3.266 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)CCCCC1 ZINC001731373420 1427302981 /nfs/dbraw/zinc/30/29/81/1427302981.db2.gz FTOXBURQGZBTTJ-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP O=C(CCC[NH+]1CCCC1)NC[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001731506509 1427493361 /nfs/dbraw/zinc/49/33/61/1427493361.db2.gz DFOGCKJOFJSCEB-HXUWFJFHSA-N 2 1 349.563 3.271 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001731536200 1427533706 /nfs/dbraw/zinc/53/37/06/1427533706.db2.gz MCUPVJJSKXHXLZ-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001731536200 1427533711 /nfs/dbraw/zinc/53/37/11/1427533711.db2.gz MCUPVJJSKXHXLZ-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001731536200 1427533712 /nfs/dbraw/zinc/53/37/12/1427533712.db2.gz MCUPVJJSKXHXLZ-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001731572774 1427615476 /nfs/dbraw/zinc/61/54/76/1427615476.db2.gz KSUZESLUQOFBFI-GTPINHCMSA-N 2 1 349.494 3.246 20 0 EGADMP CCC(CC)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001731710788 1427766622 /nfs/dbraw/zinc/76/66/22/1427766622.db2.gz BNAOBPKWXJIPQH-GOSISDBHSA-N 2 1 348.535 3.366 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001731710788 1427766626 /nfs/dbraw/zinc/76/66/26/1427766626.db2.gz BNAOBPKWXJIPQH-GOSISDBHSA-N 2 1 348.535 3.366 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001731720675 1427789824 /nfs/dbraw/zinc/78/98/24/1427789824.db2.gz OPEXWJBEQSXYEJ-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001731720675 1427789829 /nfs/dbraw/zinc/78/98/29/1427789829.db2.gz OPEXWJBEQSXYEJ-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001731720675 1427789831 /nfs/dbraw/zinc/78/98/31/1427789831.db2.gz OPEXWJBEQSXYEJ-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001731729854 1427805230 /nfs/dbraw/zinc/80/52/30/1427805230.db2.gz VZLZPMCURNQMLL-IAGOWNOFSA-N 2 1 331.504 3.025 20 0 EGADMP CCC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)CC1CCCCCC1 ZINC001731868543 1428119863 /nfs/dbraw/zinc/11/98/63/1428119863.db2.gz AFOZBIQTCLVPKJ-GOSISDBHSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)CC1CCCCCC1 ZINC001731868543 1428119864 /nfs/dbraw/zinc/11/98/64/1428119864.db2.gz AFOZBIQTCLVPKJ-GOSISDBHSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)CC1CCCCCC1 ZINC001731868543 1428119866 /nfs/dbraw/zinc/11/98/66/1428119866.db2.gz AFOZBIQTCLVPKJ-GOSISDBHSA-N 2 1 337.552 3.127 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001731972627 1428189825 /nfs/dbraw/zinc/18/98/25/1428189825.db2.gz VFYOZKXONLMMHW-QGZVFWFLSA-N 2 1 341.499 3.291 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC2(CC1)CC[NH+](CC1CC(C)C1)CC2 ZINC001733910940 1437729173 /nfs/dbraw/zinc/72/91/73/1437729173.db2.gz FBGYKIOYDNUSSV-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)[C@H](CC)c1ccccc1 ZINC001733938713 1437754003 /nfs/dbraw/zinc/75/40/03/1437754003.db2.gz RLULYEMAJQTIJE-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@H+](C)[C@H](CC)c1ccccc1 ZINC001733938713 1437754006 /nfs/dbraw/zinc/75/40/06/1437754006.db2.gz RLULYEMAJQTIJE-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)[C@H](CC)c1ccccc1 ZINC001733938713 1437754007 /nfs/dbraw/zinc/75/40/07/1437754007.db2.gz RLULYEMAJQTIJE-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP Cc1cc(C)cc(C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001734053641 1437843801 /nfs/dbraw/zinc/84/38/01/1437843801.db2.gz PHPAAGAKGYEUHY-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1cc(C)cc(C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001734053641 1437843803 /nfs/dbraw/zinc/84/38/03/1437843803.db2.gz PHPAAGAKGYEUHY-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1cc(C)cc(C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001734053641 1437843804 /nfs/dbraw/zinc/84/38/04/1437843804.db2.gz PHPAAGAKGYEUHY-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@H](C)c2ccccc2F)C1 ZINC001734128683 1437906592 /nfs/dbraw/zinc/90/65/92/1437906592.db2.gz NTZRKKPEWMUMAH-JKSUJKDBSA-N 2 1 349.494 3.055 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCC2CCCCCC2)C[C@H]1C ZINC001734430548 1438094307 /nfs/dbraw/zinc/09/43/07/1438094307.db2.gz WKFJXACQGPTCDD-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H](C[NH2+]CC1CCCCC1)C(C)(C)C)C1CCC1 ZINC001734560721 1438158559 /nfs/dbraw/zinc/15/85/59/1438158559.db2.gz HQXPLAKJPGJIEV-SFHVURJKSA-N 2 1 337.552 3.172 20 0 EGADMP CCc1cccc(C[N@@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C(C)C)c1 ZINC001751975406 1440130047 /nfs/dbraw/zinc/13/00/47/1440130047.db2.gz SWBYVCUNAPDBOJ-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001751975406 1440130048 /nfs/dbraw/zinc/13/00/48/1440130048.db2.gz SWBYVCUNAPDBOJ-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001751975406 1440130050 /nfs/dbraw/zinc/13/00/50/1440130050.db2.gz SWBYVCUNAPDBOJ-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@@H]1CCC[C@H](CC[N@@H+](C)CCCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001752008424 1440132357 /nfs/dbraw/zinc/13/23/57/1440132357.db2.gz GJVXZHQWYJOKOK-RTBURBONSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@@H+](C)CCC1CCCCC1 ZINC001752121681 1440142620 /nfs/dbraw/zinc/14/26/20/1440142620.db2.gz MOOSEUPFWLZBIQ-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001752158160 1440148019 /nfs/dbraw/zinc/14/80/19/1440148019.db2.gz UCIZUWQJWUGZGW-QUCCMNQESA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001752158160 1440148020 /nfs/dbraw/zinc/14/80/20/1440148020.db2.gz UCIZUWQJWUGZGW-QUCCMNQESA-N 2 1 345.531 3.134 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1ccc(C)cc1 ZINC001752181764 1440151126 /nfs/dbraw/zinc/15/11/26/1440151126.db2.gz KHSZGTYGYATKDQ-FQEVSTJZSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)Cc1ccc(C)cc1 ZINC001752181764 1440151127 /nfs/dbraw/zinc/15/11/27/1440151127.db2.gz KHSZGTYGYATKDQ-FQEVSTJZSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)Cc1ccc(C)cc1 ZINC001752181764 1440151128 /nfs/dbraw/zinc/15/11/28/1440151128.db2.gz KHSZGTYGYATKDQ-FQEVSTJZSA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)Cc1ccsc1 ZINC001752219415 1440156123 /nfs/dbraw/zinc/15/61/23/1440156123.db2.gz JNPIZDQHGNZCQP-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)Cc1ccsc1 ZINC001752219415 1440156124 /nfs/dbraw/zinc/15/61/24/1440156124.db2.gz JNPIZDQHGNZCQP-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)Cc1ccsc1 ZINC001752219415 1440156125 /nfs/dbraw/zinc/15/61/25/1440156125.db2.gz JNPIZDQHGNZCQP-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001752426238 1440177049 /nfs/dbraw/zinc/17/70/49/1440177049.db2.gz ICGMTJSHQBGGQN-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP CCCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCC2CC2)CC1 ZINC001752442415 1440181524 /nfs/dbraw/zinc/18/15/24/1440181524.db2.gz TUHQKDRARSSQSP-HDICACEKSA-N 2 1 349.563 3.362 20 0 EGADMP CCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001752508333 1440190055 /nfs/dbraw/zinc/19/00/55/1440190055.db2.gz QVXHNUMIZSZJPJ-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001752508333 1440190056 /nfs/dbraw/zinc/19/00/56/1440190056.db2.gz QVXHNUMIZSZJPJ-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001752508333 1440190057 /nfs/dbraw/zinc/19/00/57/1440190057.db2.gz QVXHNUMIZSZJPJ-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCC1CCCC1)C1CC1 ZINC001752520465 1440192480 /nfs/dbraw/zinc/19/24/80/1440192480.db2.gz YYKHXFHPPBVDFW-VQTJNVASSA-N 2 1 349.563 3.314 20 0 EGADMP C[N@@H+](CC1CCC1)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001752524634 1440192642 /nfs/dbraw/zinc/19/26/42/1440192642.db2.gz GJEMIWUXLALSDL-HXUWFJFHSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001752639525 1440197536 /nfs/dbraw/zinc/19/75/36/1440197536.db2.gz NYCVUWIHBMFBEC-NCXUSEDFSA-N 2 1 337.552 3.026 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC[C@H]2C[N@@H+](CCC3CCCC3)CC[C@@H]21 ZINC001752709152 1440203277 /nfs/dbraw/zinc/20/32/77/1440203277.db2.gz ZDECMHWDZDLTIZ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001752768680 1440205898 /nfs/dbraw/zinc/20/58/98/1440205898.db2.gz JYEJFBDOPBECNG-HDICACEKSA-N 2 1 346.519 3.214 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001752826992 1440223996 /nfs/dbraw/zinc/22/39/96/1440223996.db2.gz IGDJXHBJGSSDSL-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C/CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001752828237 1440224609 /nfs/dbraw/zinc/22/46/09/1440224609.db2.gz SQCXYGLEPITDKR-KPDZFXRVSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001752828237 1440224610 /nfs/dbraw/zinc/22/46/10/1440224610.db2.gz SQCXYGLEPITDKR-KPDZFXRVSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001752828237 1440224611 /nfs/dbraw/zinc/22/46/11/1440224611.db2.gz SQCXYGLEPITDKR-KPDZFXRVSA-N 2 1 349.563 3.434 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CCC([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001752853554 1440234252 /nfs/dbraw/zinc/23/42/52/1440234252.db2.gz NJFGWMRFZABEFB-VIQWUECVSA-N 2 1 345.531 3.415 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)[NH2+]Cc1csc(C)c1 ZINC001752875559 1440237908 /nfs/dbraw/zinc/23/79/08/1440237908.db2.gz KJBZRRRENPDBFP-UONOGXRCSA-N 2 1 348.516 3.061 20 0 EGADMP C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH2+]Cc1cccc(F)c1 ZINC001752889844 1440240661 /nfs/dbraw/zinc/24/06/61/1440240661.db2.gz BCVKMNOQUZYSNT-MRXNPFEDSA-N 2 1 349.494 3.075 20 0 EGADMP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001752963793 1440253737 /nfs/dbraw/zinc/25/37/37/1440253737.db2.gz QFHYWPZZVXFHTK-AZUAARDMSA-N 2 1 345.531 3.164 20 0 EGADMP CC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@@H](C)c1ccc(Cl)cc1 ZINC001753085645 1440296102 /nfs/dbraw/zinc/29/61/02/1440296102.db2.gz JSGGTNRSUXLABA-HNNXBMFYSA-N 2 1 348.878 3.044 20 0 EGADMP CC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@@H](C)c1ccc(Cl)cc1 ZINC001753085645 1440296103 /nfs/dbraw/zinc/29/61/03/1440296103.db2.gz JSGGTNRSUXLABA-HNNXBMFYSA-N 2 1 348.878 3.044 20 0 EGADMP CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)c1ccccc1F ZINC001753086186 1440296235 /nfs/dbraw/zinc/29/62/35/1440296235.db2.gz HQUZMROPACRBAN-MRXNPFEDSA-N 2 1 349.494 3.199 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NC[C@@H]1CCC[NH+]1CC1CCCC1 ZINC001753102760 1440304880 /nfs/dbraw/zinc/30/48/80/1440304880.db2.gz CLUAHNQIOOQBAP-IBGZPJMESA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC001753102760 1440304881 /nfs/dbraw/zinc/30/48/81/1440304881.db2.gz CLUAHNQIOOQBAP-IBGZPJMESA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC001753102760 1440304882 /nfs/dbraw/zinc/30/48/82/1440304882.db2.gz CLUAHNQIOOQBAP-IBGZPJMESA-N 2 1 349.563 3.410 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001753112881 1440309665 /nfs/dbraw/zinc/30/96/65/1440309665.db2.gz IFXNKTVPZMUUKE-WYNBNGFRSA-N 2 1 335.536 3.186 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001753112881 1440309666 /nfs/dbraw/zinc/30/96/66/1440309666.db2.gz IFXNKTVPZMUUKE-WYNBNGFRSA-N 2 1 335.536 3.186 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001753112881 1440309667 /nfs/dbraw/zinc/30/96/67/1440309667.db2.gz IFXNKTVPZMUUKE-WYNBNGFRSA-N 2 1 335.536 3.186 20 0 EGADMP CCCCC[N@H+]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001753128749 1440315918 /nfs/dbraw/zinc/31/59/18/1440315918.db2.gz JPJJTGYKRXBOOT-OAHLLOKOSA-N 2 1 337.533 3.052 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001753139304 1440320407 /nfs/dbraw/zinc/32/04/07/1440320407.db2.gz YPDREBQYTZQAMN-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001753139304 1440320408 /nfs/dbraw/zinc/32/04/08/1440320408.db2.gz YPDREBQYTZQAMN-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001753139304 1440320409 /nfs/dbraw/zinc/32/04/09/1440320409.db2.gz YPDREBQYTZQAMN-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CCCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001753319122 1440361843 /nfs/dbraw/zinc/36/18/43/1440361843.db2.gz ASYVZRMRPBIHOU-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCN(C(=O)CC[N@H+](C)CC)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001753319122 1440361844 /nfs/dbraw/zinc/36/18/44/1440361844.db2.gz ASYVZRMRPBIHOU-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCN(C(=O)CC[N@@H+](C)CC)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001753319122 1440361845 /nfs/dbraw/zinc/36/18/45/1440361845.db2.gz ASYVZRMRPBIHOU-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC1CC[NH+](CC(=O)NCC[C@H]2CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001753340052 1440374832 /nfs/dbraw/zinc/37/48/32/1440374832.db2.gz XLBICWARYYWEIL-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001753341394 1440375696 /nfs/dbraw/zinc/37/56/96/1440375696.db2.gz XENJSTPZSXNHLJ-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001753341394 1440375697 /nfs/dbraw/zinc/37/56/97/1440375697.db2.gz XENJSTPZSXNHLJ-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001753341394 1440375698 /nfs/dbraw/zinc/37/56/98/1440375698.db2.gz XENJSTPZSXNHLJ-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001753341408 1440375796 /nfs/dbraw/zinc/37/57/96/1440375796.db2.gz XLJBMVRKPBYDKA-AZUAARDMSA-N 2 1 343.515 3.084 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001753341408 1440375797 /nfs/dbraw/zinc/37/57/97/1440375797.db2.gz XLJBMVRKPBYDKA-AZUAARDMSA-N 2 1 343.515 3.084 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001753349965 1440377425 /nfs/dbraw/zinc/37/74/25/1440377425.db2.gz ZSZDXSCNCLVSFM-INIZCTEOSA-N 2 1 349.544 3.170 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001753351508 1440378065 /nfs/dbraw/zinc/37/80/65/1440378065.db2.gz FDSULUHPTKDTKK-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001753351508 1440378066 /nfs/dbraw/zinc/37/80/66/1440378066.db2.gz FDSULUHPTKDTKK-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001753351508 1440378067 /nfs/dbraw/zinc/37/80/67/1440378067.db2.gz FDSULUHPTKDTKK-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@@H](CC)c2ccccc2)C1 ZINC001753358164 1440381164 /nfs/dbraw/zinc/38/11/64/1440381164.db2.gz KKOCJQOKJVQETN-QUCCMNQESA-N 2 1 345.531 3.260 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](CC)c2ccccc2)C1 ZINC001753358164 1440381165 /nfs/dbraw/zinc/38/11/65/1440381165.db2.gz KKOCJQOKJVQETN-QUCCMNQESA-N 2 1 345.531 3.260 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](CC)c2ccccc2)C1 ZINC001753358164 1440381166 /nfs/dbraw/zinc/38/11/66/1440381166.db2.gz KKOCJQOKJVQETN-QUCCMNQESA-N 2 1 345.531 3.260 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001753361039 1440382672 /nfs/dbraw/zinc/38/26/72/1440382672.db2.gz VIWDHTAQEZFTEO-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001753368915 1440386792 /nfs/dbraw/zinc/38/67/92/1440386792.db2.gz GXAUFWBJNYIZTB-CMKODMSKSA-N 2 1 345.531 3.223 20 0 EGADMP C[NH+](C)CC1(C(=O)NC2C[NH+](CCCC(C)(C)C)C2)CCCCC1 ZINC001753382043 1440387914 /nfs/dbraw/zinc/38/79/14/1440387914.db2.gz GOJPVKOEIXKUAL-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001753446264 1440404000 /nfs/dbraw/zinc/40/40/00/1440404000.db2.gz HFLLENGMNLEOIE-MOPGFXCFSA-N 2 1 345.531 3.239 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001753446264 1440404001 /nfs/dbraw/zinc/40/40/01/1440404001.db2.gz HFLLENGMNLEOIE-MOPGFXCFSA-N 2 1 345.531 3.239 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001753446264 1440404002 /nfs/dbraw/zinc/40/40/02/1440404002.db2.gz HFLLENGMNLEOIE-MOPGFXCFSA-N 2 1 345.531 3.239 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001753458754 1440409342 /nfs/dbraw/zinc/40/93/42/1440409342.db2.gz KBEIZIUKLLVIML-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@H](N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001753458754 1440409343 /nfs/dbraw/zinc/40/93/43/1440409343.db2.gz KBEIZIUKLLVIML-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@H](N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001753458754 1440409344 /nfs/dbraw/zinc/40/93/44/1440409344.db2.gz KBEIZIUKLLVIML-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001753458546 1440409538 /nfs/dbraw/zinc/40/95/38/1440409538.db2.gz ILHWWKUXGQUSGX-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001753458546 1440409539 /nfs/dbraw/zinc/40/95/39/1440409539.db2.gz ILHWWKUXGQUSGX-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001753458546 1440409540 /nfs/dbraw/zinc/40/95/40/1440409540.db2.gz ILHWWKUXGQUSGX-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP CC(C)[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCC[C@H]1C ZINC001753536373 1440432733 /nfs/dbraw/zinc/43/27/33/1440432733.db2.gz SUGGAQLHHBTZTK-VQIMIIECSA-N 2 1 334.508 3.070 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001753585199 1440441174 /nfs/dbraw/zinc/44/11/74/1440441174.db2.gz XFSGOJYPPNPCAO-UWCDRFHNSA-N 2 1 335.536 3.092 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](C[C@@H](C)CC)CC1 ZINC001753594489 1440444007 /nfs/dbraw/zinc/44/40/07/1440444007.db2.gz DIOGPXJITZUTRJ-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001753616210 1440449701 /nfs/dbraw/zinc/44/97/01/1440449701.db2.gz AWXVLYZDTPWFRB-MJGOQNOKSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+][C@H](C)c2ccccc2F)CCCC1 ZINC001753670624 1440461891 /nfs/dbraw/zinc/46/18/91/1440461891.db2.gz CIIUDKORDADIBB-MRXNPFEDSA-N 2 1 349.494 3.247 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C)cc1C ZINC001753695594 1440467370 /nfs/dbraw/zinc/46/73/70/1440467370.db2.gz SURIIWRJYZDITE-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH2+]C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C1CCCCC1 ZINC001753746046 1440481149 /nfs/dbraw/zinc/48/11/49/1440481149.db2.gz MUJMBDKUGMSKOD-RDJZCZTQSA-N 2 1 334.508 3.071 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+][C@@H](C)c1ccccc1 ZINC001753788466 1440488524 /nfs/dbraw/zinc/48/85/24/1440488524.db2.gz PRENIWVAEDBVJX-AZUAARDMSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)CCC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001753819807 1440495300 /nfs/dbraw/zinc/49/53/00/1440495300.db2.gz DXDZCGLZUAZQEM-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C)C[NH+](C)CCC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001753819807 1440495301 /nfs/dbraw/zinc/49/53/01/1440495301.db2.gz DXDZCGLZUAZQEM-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C)C[NH+](C)CCC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001753819807 1440495302 /nfs/dbraw/zinc/49/53/02/1440495302.db2.gz DXDZCGLZUAZQEM-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[N@H+](C)CC1CC(C)(C)C1 ZINC001753852794 1440507482 /nfs/dbraw/zinc/50/74/82/1440507482.db2.gz BDBDTRBHCGSSOQ-INIZCTEOSA-N 2 1 348.535 3.223 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[N@@H+](C)CC1CC(C)(C)C1 ZINC001753852794 1440507483 /nfs/dbraw/zinc/50/74/83/1440507483.db2.gz BDBDTRBHCGSSOQ-INIZCTEOSA-N 2 1 348.535 3.223 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001753855143 1440508558 /nfs/dbraw/zinc/50/85/58/1440508558.db2.gz MQJNRCPETPZHRD-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001753855143 1440508559 /nfs/dbraw/zinc/50/85/59/1440508559.db2.gz MQJNRCPETPZHRD-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001753855143 1440508560 /nfs/dbraw/zinc/50/85/60/1440508560.db2.gz MQJNRCPETPZHRD-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001753866915 1440514917 /nfs/dbraw/zinc/51/49/17/1440514917.db2.gz WTSYJEIIBRUCJO-KRWDZBQOSA-N 2 1 349.494 3.009 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCC1CCCCC1 ZINC001754119918 1440542693 /nfs/dbraw/zinc/54/26/93/1440542693.db2.gz OMWOXARCSXZWTE-OVKVCFKUSA-N 2 1 335.536 3.092 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1cccc2ccccc21 ZINC001754337196 1440587198 /nfs/dbraw/zinc/58/71/98/1440587198.db2.gz UCCUXRDECMPZPJ-QGZVFWFLSA-N 2 1 341.499 3.117 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1cccc2ccccc21 ZINC001754337196 1440587199 /nfs/dbraw/zinc/58/71/99/1440587199.db2.gz UCCUXRDECMPZPJ-QGZVFWFLSA-N 2 1 341.499 3.117 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1cccc2ccccc21 ZINC001754337196 1440587200 /nfs/dbraw/zinc/58/72/00/1440587200.db2.gz UCCUXRDECMPZPJ-QGZVFWFLSA-N 2 1 341.499 3.117 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)c1ccccc1 ZINC001754337869 1440587560 /nfs/dbraw/zinc/58/75/60/1440587560.db2.gz MBPKLSASHFNVJJ-DLBZAZTESA-N 2 1 342.487 3.169 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC001754337869 1440587561 /nfs/dbraw/zinc/58/75/61/1440587561.db2.gz MBPKLSASHFNVJJ-DLBZAZTESA-N 2 1 342.487 3.169 20 0 EGADMP CC(C)(C(=O)NC[C@@H]1CC[N@H+]1CC1CCC(C)(C)CC1)[NH+]1CCCC1 ZINC001754490928 1440609997 /nfs/dbraw/zinc/60/99/97/1440609997.db2.gz YRNJVEFCDDUOIY-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@@H](C)c1ccc(C(C)C)cc1 ZINC001754495903 1440612360 /nfs/dbraw/zinc/61/23/60/1440612360.db2.gz AVJBSURGQGNJGA-PXNSSMCTSA-N 2 1 345.531 3.403 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)c1ccc(C(C)C)cc1 ZINC001754495903 1440612361 /nfs/dbraw/zinc/61/23/61/1440612361.db2.gz AVJBSURGQGNJGA-PXNSSMCTSA-N 2 1 345.531 3.403 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)c1ccc(C(C)C)cc1 ZINC001754495903 1440612362 /nfs/dbraw/zinc/61/23/62/1440612362.db2.gz AVJBSURGQGNJGA-PXNSSMCTSA-N 2 1 345.531 3.403 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@H](C)c1ccc(C(C)C)cc1 ZINC001754500674 1440614120 /nfs/dbraw/zinc/61/41/20/1440614120.db2.gz QLFRXGPNSLKBQA-XLIONFOSSA-N 2 1 345.531 3.403 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)c1ccc(C(C)C)cc1 ZINC001754500674 1440614121 /nfs/dbraw/zinc/61/41/21/1440614121.db2.gz QLFRXGPNSLKBQA-XLIONFOSSA-N 2 1 345.531 3.403 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)c1ccc(C(C)C)cc1 ZINC001754500674 1440614122 /nfs/dbraw/zinc/61/41/22/1440614122.db2.gz QLFRXGPNSLKBQA-XLIONFOSSA-N 2 1 345.531 3.403 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001754539762 1440625744 /nfs/dbraw/zinc/62/57/44/1440625744.db2.gz VANMJIYDCSQHAP-ZBWOGFRMSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001754539762 1440625745 /nfs/dbraw/zinc/62/57/45/1440625745.db2.gz VANMJIYDCSQHAP-ZBWOGFRMSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001754539762 1440625746 /nfs/dbraw/zinc/62/57/46/1440625746.db2.gz VANMJIYDCSQHAP-ZBWOGFRMSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@]2(C1)CCC[NH+](CCCC1CCC1)C2 ZINC001754558636 1440632922 /nfs/dbraw/zinc/63/29/22/1440632922.db2.gz YDOFNHPWIKTHFD-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCC1CCC1)C2 ZINC001754558636 1440632923 /nfs/dbraw/zinc/63/29/23/1440632923.db2.gz YDOFNHPWIKTHFD-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCC1CCC1)C2 ZINC001754558636 1440632924 /nfs/dbraw/zinc/63/29/24/1440632924.db2.gz YDOFNHPWIKTHFD-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]CCC(C)(C)C)C2CCCC2)C1 ZINC001754655206 1440653263 /nfs/dbraw/zinc/65/32/63/1440653263.db2.gz ZMHJSPKYFDHOSF-FUHWJXTLSA-N 2 1 337.552 3.029 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCC2CCCCC2)C2CCCC2)C1 ZINC001754656898 1440653796 /nfs/dbraw/zinc/65/37/96/1440653796.db2.gz WRGRFKUJNIJVOO-VQTJNVASSA-N 2 1 349.563 3.173 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@](C)(C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001754705827 1440668959 /nfs/dbraw/zinc/66/89/59/1440668959.db2.gz MDGWMOANERZKSA-RXVVDRJESA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@@H+](CCCC2CCCC2)C1 ZINC001754729280 1440678180 /nfs/dbraw/zinc/67/81/80/1440678180.db2.gz HACKDUPZEASMOI-HXUWFJFHSA-N 2 1 337.552 3.127 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1 ZINC001754953969 1440715760 /nfs/dbraw/zinc/71/57/60/1440715760.db2.gz SRWNXFAXBLTGFL-UFYCRDLUSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001754980482 1440721127 /nfs/dbraw/zinc/72/11/27/1440721127.db2.gz DWKMERYDXUIEOO-ROUUACIJSA-N 2 1 337.552 3.170 20 0 EGADMP CC1(C)CC(C[N@H+]2CCC[C@H](NC(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001755033760 1440733059 /nfs/dbraw/zinc/73/30/59/1440733059.db2.gz DQDMTURMSUNNBK-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001755041695 1440737745 /nfs/dbraw/zinc/73/77/45/1440737745.db2.gz CNHXITWRGHJOKQ-MRXNPFEDSA-N 2 1 349.494 3.009 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001755048034 1440742350 /nfs/dbraw/zinc/74/23/50/1440742350.db2.gz SVTDRGNGEGXMDJ-PMACEKPBSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001755048034 1440742351 /nfs/dbraw/zinc/74/23/51/1440742351.db2.gz SVTDRGNGEGXMDJ-PMACEKPBSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001755048034 1440742352 /nfs/dbraw/zinc/74/23/52/1440742352.db2.gz SVTDRGNGEGXMDJ-PMACEKPBSA-N 2 1 349.563 3.243 20 0 EGADMP CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001755073656 1440747647 /nfs/dbraw/zinc/74/76/47/1440747647.db2.gz BVZSJDAEGVVORI-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)(C)CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001755079446 1440750258 /nfs/dbraw/zinc/75/02/58/1440750258.db2.gz KGFGBRLMMVPCGH-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001755144207 1440762509 /nfs/dbraw/zinc/76/25/09/1440762509.db2.gz YHSODENCIKQYMN-RBUKOAKNSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001755144207 1440762510 /nfs/dbraw/zinc/76/25/10/1440762510.db2.gz YHSODENCIKQYMN-RBUKOAKNSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@H+]1CC1CCCC1 ZINC001755165856 1440767136 /nfs/dbraw/zinc/76/71/36/1440767136.db2.gz SYNORJJIXNDMGN-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001755168083 1440768038 /nfs/dbraw/zinc/76/80/38/1440768038.db2.gz WWTBCYLPSKNJTE-QRMWTIMZSA-N 2 1 349.563 3.432 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H]2C[N@H+](C)CCCC2CCCC2)C1 ZINC001755199448 1440778828 /nfs/dbraw/zinc/77/88/28/1440778828.db2.gz WTMDYLCLTIKOME-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H]2C[N@@H+](C)CCCC2CCCC2)C1 ZINC001755199448 1440778829 /nfs/dbraw/zinc/77/88/29/1440778829.db2.gz WTMDYLCLTIKOME-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)[C@@H](C)c1ccccc1C ZINC001755200349 1440779351 /nfs/dbraw/zinc/77/93/51/1440779351.db2.gz GNEQYCSZMBYMOR-OALUTQOASA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@H+](C)[C@@H](C)c1ccccc1C ZINC001755200349 1440779352 /nfs/dbraw/zinc/77/93/52/1440779352.db2.gz GNEQYCSZMBYMOR-OALUTQOASA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)[C@@H](C)c1ccccc1C ZINC001755200349 1440779353 /nfs/dbraw/zinc/77/93/53/1440779353.db2.gz GNEQYCSZMBYMOR-OALUTQOASA-N 2 1 345.531 3.321 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CC2(CCC2)C1 ZINC001755306977 1440811350 /nfs/dbraw/zinc/81/13/50/1440811350.db2.gz WGNDBEXJCSKJCD-MJGOQNOKSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CC2(CCC2)C1 ZINC001755306977 1440811351 /nfs/dbraw/zinc/81/13/51/1440811351.db2.gz WGNDBEXJCSKJCD-MJGOQNOKSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001755306977 1440811352 /nfs/dbraw/zinc/81/13/52/1440811352.db2.gz WGNDBEXJCSKJCD-MJGOQNOKSA-N 2 1 349.563 3.124 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CCCCC[NH+]1CC1CCCCC1)C1CCC1 ZINC001755363201 1440832881 /nfs/dbraw/zinc/83/28/81/1440832881.db2.gz DLFKHZASCCCXBX-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCCCC1)C1CCC1 ZINC001755363201 1440832882 /nfs/dbraw/zinc/83/28/82/1440832882.db2.gz DLFKHZASCCCXBX-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCCC[N@H+]1CC1CCCCC1)C1CCC1 ZINC001755363201 1440832883 /nfs/dbraw/zinc/83/28/83/1440832883.db2.gz DLFKHZASCCCXBX-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H](C(=O)NC[C@H]1CCCCC[N@H+]1CC1CC1)[NH+]1CCCCCC1 ZINC001755367668 1440835539 /nfs/dbraw/zinc/83/55/39/1440835539.db2.gz HTTKOTBHCGKXSR-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CC1)[NH+]1CCCC1 ZINC001755367715 1440835723 /nfs/dbraw/zinc/83/57/23/1440835723.db2.gz JCFKOMVXDNKGMB-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001755376551 1440838281 /nfs/dbraw/zinc/83/82/81/1440838281.db2.gz FQXSWCFNTACHBN-FUHWJXTLSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1C[NH+](CCC2CCCCCC2)C1 ZINC001755389390 1440841686 /nfs/dbraw/zinc/84/16/86/1440841686.db2.gz VSQYVYCHNGDDJI-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](C)C1(C(=O)N[C@H]2C[N@@H+](CCC3CCCCC3)CC2(C)C)CCC1 ZINC001755411685 1440846577 /nfs/dbraw/zinc/84/65/77/1440846577.db2.gz GBZIUWSFWKXTBW-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001755413233 1440847312 /nfs/dbraw/zinc/84/73/12/1440847312.db2.gz VMWKNUGTCPPGCR-ZSQQTYLHSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001755413233 1440847313 /nfs/dbraw/zinc/84/73/13/1440847313.db2.gz VMWKNUGTCPPGCR-ZSQQTYLHSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001755413233 1440847314 /nfs/dbraw/zinc/84/73/14/1440847314.db2.gz VMWKNUGTCPPGCR-ZSQQTYLHSA-N 2 1 349.563 3.434 20 0 EGADMP CCC(CC)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001755479743 1440859910 /nfs/dbraw/zinc/85/99/10/1440859910.db2.gz YXILFKPLJMBKFJ-GUDVDZBRSA-N 2 1 337.552 3.170 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)[C@H]1C ZINC001755722001 1440907822 /nfs/dbraw/zinc/90/78/22/1440907822.db2.gz DNQKLVXKDTXWDH-DLBZAZTESA-N 2 1 325.541 3.122 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)[C@H]1C ZINC001755722001 1440907823 /nfs/dbraw/zinc/90/78/23/1440907823.db2.gz DNQKLVXKDTXWDH-DLBZAZTESA-N 2 1 325.541 3.122 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)[C@H]1C ZINC001755722001 1440907824 /nfs/dbraw/zinc/90/78/24/1440907824.db2.gz DNQKLVXKDTXWDH-DLBZAZTESA-N 2 1 325.541 3.122 20 0 EGADMP Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c(C)c1 ZINC001755724727 1440909106 /nfs/dbraw/zinc/90/91/06/1440909106.db2.gz XHIKCFIQKMCXEF-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)N(CC[N@@H+](C)Cc1ccccc1)C(=O)C[NH+](C)CC(C)(C)C ZINC001755812578 1440921283 /nfs/dbraw/zinc/92/12/83/1440921283.db2.gz SAYDDJPHIHIBKJ-UHFFFAOYSA-N 2 1 347.547 3.333 20 0 EGADMP CC(C)N(CC[NH+](C)Cc1ccccc1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001755812578 1440921284 /nfs/dbraw/zinc/92/12/84/1440921284.db2.gz SAYDDJPHIHIBKJ-UHFFFAOYSA-N 2 1 347.547 3.333 20 0 EGADMP CC(C)N(CC[NH+](C)Cc1ccccc1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001755812578 1440921285 /nfs/dbraw/zinc/92/12/85/1440921285.db2.gz SAYDDJPHIHIBKJ-UHFFFAOYSA-N 2 1 347.547 3.333 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]CC2CCCCC2)C(C)(C)C)C1 ZINC001755836066 1440930155 /nfs/dbraw/zinc/93/01/55/1440930155.db2.gz MFOGHCQVWZXYRX-QZTJIDSGSA-N 2 1 337.552 3.029 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH2+]CC1CCC(C)CC1)C(C)(C)C ZINC001755836107 1440930419 /nfs/dbraw/zinc/93/04/19/1440930419.db2.gz NAIXLZUPHXSSGH-ABHNRTSZSA-N 2 1 339.568 3.275 20 0 EGADMP C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001755850893 1440934764 /nfs/dbraw/zinc/93/47/64/1440934764.db2.gz MNNJKNPJSPXLNF-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001755862673 1440937055 /nfs/dbraw/zinc/93/70/55/1440937055.db2.gz UBWLVOILBNSRPD-OLFFVLKBSA-N 2 1 335.536 3.185 20 0 EGADMP CCC(CC)C[NH2+]C1CC(N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001755865705 1440937809 /nfs/dbraw/zinc/93/78/09/1440937809.db2.gz NPIBYUMIAPBDQX-MHJFOBGBSA-N 2 1 345.531 3.305 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2=CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001755894899 1440942618 /nfs/dbraw/zinc/94/26/18/1440942618.db2.gz OXICIUGUZUMSOZ-GOSISDBHSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NCC2=CC[N@H+](CC3CCCCCC3)CC2)C1 ZINC001755894899 1440942619 /nfs/dbraw/zinc/94/26/19/1440942619.db2.gz OXICIUGUZUMSOZ-GOSISDBHSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NCC2=CC[N@@H+](CC3CCCCCC3)CC2)C1 ZINC001755894899 1440942620 /nfs/dbraw/zinc/94/26/20/1440942620.db2.gz OXICIUGUZUMSOZ-GOSISDBHSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(C3C[NH2+]C3)CC2)nc1 ZINC001164614511 719037933 /nfs/dbraw/zinc/03/79/33/719037933.db2.gz CNCSDBVOENAVNN-HXUWFJFHSA-N 2 1 342.531 3.454 20 0 EGADMP Cc1c[nH+]c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc1N ZINC001164996211 722207061 /nfs/dbraw/zinc/20/70/61/722207061.db2.gz RJJZSQUJZWOJEP-FQEVSTJZSA-N 2 1 340.446 3.356 20 0 EGADMP CCOC(=O)CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000368375727 168348824 /nfs/dbraw/zinc/34/88/24/168348824.db2.gz XCCHITXVAIZGRP-HKUYNNGSSA-N 2 1 332.488 3.220 20 0 EGADMP CCOC(=O)CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000368375727 168348826 /nfs/dbraw/zinc/34/88/26/168348826.db2.gz XCCHITXVAIZGRP-HKUYNNGSSA-N 2 1 332.488 3.220 20 0 EGADMP Cc1noc(C2CCC([NH2+][C@@H](C)C[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)n1 ZINC000368378909 168349223 /nfs/dbraw/zinc/34/92/23/168349223.db2.gz SDUFXYMTBGFMRQ-UKHBAXEESA-N 2 1 334.508 3.360 20 0 EGADMP Cc1noc(C2CCC([NH2+][C@@H](C)C[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)n1 ZINC000368378909 168349225 /nfs/dbraw/zinc/34/92/25/168349225.db2.gz SDUFXYMTBGFMRQ-UKHBAXEESA-N 2 1 334.508 3.360 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000368506620 168365488 /nfs/dbraw/zinc/36/54/88/168365488.db2.gz DTQKXDOPPLIMTM-NJDAHSKKSA-N 2 1 339.483 3.476 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000368506620 168365490 /nfs/dbraw/zinc/36/54/90/168365490.db2.gz DTQKXDOPPLIMTM-NJDAHSKKSA-N 2 1 339.483 3.476 20 0 EGADMP CN1c2ccc(C[NH2+]CCC[N@H+](C)C3CCCCC3)cc2CCC1=O ZINC000187108121 529891427 /nfs/dbraw/zinc/89/14/27/529891427.db2.gz IWVONJYKZSZMQS-UHFFFAOYSA-N 2 1 343.515 3.340 20 0 EGADMP CN1c2ccc(C[NH2+]CCC[N@@H+](C)C3CCCCC3)cc2CCC1=O ZINC000187108121 529891429 /nfs/dbraw/zinc/89/14/29/529891429.db2.gz IWVONJYKZSZMQS-UHFFFAOYSA-N 2 1 343.515 3.340 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(F)c(Br)c2)CC[N@H+]1C ZINC000178008975 232056304 /nfs/dbraw/zinc/05/63/04/232056304.db2.gz YSAXEVFKVQBRSQ-YPMHNXCESA-N 2 1 329.257 3.203 20 0 EGADMP COc1cccc2cc([C@@H](C)[NH2+]CCCC[N@H+]3CCC[C@@H]3CO)oc21 ZINC000181733972 234302391 /nfs/dbraw/zinc/30/23/91/234302391.db2.gz DGWPHUSAAPUKFV-NVXWUHKLSA-N 2 1 346.471 3.329 20 0 EGADMP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000356236554 299202265 /nfs/dbraw/zinc/20/22/65/299202265.db2.gz VGPWSTOVIYXIAW-FFZOFVMBSA-N 2 1 339.483 3.097 20 0 EGADMP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261956953 282910585 /nfs/dbraw/zinc/91/05/85/282910585.db2.gz PAIHIZVQFFEJJV-QCODTGAPSA-N 2 1 334.426 3.102 20 0 EGADMP [NH3+]CC1(CC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCCCC1 ZINC000184130325 235314189 /nfs/dbraw/zinc/31/41/89/235314189.db2.gz AMYGBJHXGGDCFA-UHFFFAOYSA-N 2 1 343.515 3.020 20 0 EGADMP Cc1cncc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000184300129 235360662 /nfs/dbraw/zinc/36/06/62/235360662.db2.gz GARDEFKBVJJMGF-MSOLQXFVSA-N 2 1 339.483 3.462 20 0 EGADMP Cc1cncc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000184300129 235360665 /nfs/dbraw/zinc/36/06/65/235360665.db2.gz GARDEFKBVJJMGF-MSOLQXFVSA-N 2 1 339.483 3.462 20 0 EGADMP Cc1cc2c(cc1C)[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)CCS2 ZINC000187050548 236103882 /nfs/dbraw/zinc/10/38/82/236103882.db2.gz CRAOXUHVXQSLPW-GOSISDBHSA-N 2 1 334.529 3.277 20 0 EGADMP CCn1nccc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000130905997 223187024 /nfs/dbraw/zinc/18/70/24/223187024.db2.gz VKIJRIYYMOETBW-UHFFFAOYSA-N 2 1 326.488 3.247 20 0 EGADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2sccc2Cl)C1 ZINC000193206958 240059427 /nfs/dbraw/zinc/05/94/27/240059427.db2.gz VMXKZOFDCXUKPZ-OAHLLOKOSA-N 2 1 336.888 3.258 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2sccc2Cl)C1 ZINC000193206958 240059433 /nfs/dbraw/zinc/05/94/33/240059433.db2.gz VMXKZOFDCXUKPZ-OAHLLOKOSA-N 2 1 336.888 3.258 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]CCCc2ccc3c(c2)CCO3)CC1 ZINC000193301031 240098395 /nfs/dbraw/zinc/09/83/95/240098395.db2.gz RZEACBRAAZXIPV-UHFFFAOYSA-N 2 1 346.515 3.033 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)c1 ZINC000236829844 242375473 /nfs/dbraw/zinc/37/54/73/242375473.db2.gz AJPBKDIULVLWQC-FQEVSTJZSA-N 2 1 340.471 3.383 20 0 EGADMP CCOc1c(OC)cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000236862460 242386700 /nfs/dbraw/zinc/38/67/00/242386700.db2.gz FSELEEGHYVKJEO-CQSZACIVSA-N 2 1 347.459 3.033 20 0 EGADMP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000262711590 245137178 /nfs/dbraw/zinc/13/71/78/245137178.db2.gz QPJIMTIQYFMMMT-OXJNMPFZSA-N 2 1 331.504 3.052 20 0 EGADMP CCCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000264043732 246008898 /nfs/dbraw/zinc/00/88/98/246008898.db2.gz QUFSPHKDYPJCAV-LJQANCHMSA-N 2 1 331.504 3.060 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000377542547 169039179 /nfs/dbraw/zinc/03/91/79/169039179.db2.gz IZEKPIRVCHQULC-HXUWFJFHSA-N 2 1 345.462 3.038 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000377542547 169039181 /nfs/dbraw/zinc/03/91/81/169039181.db2.gz IZEKPIRVCHQULC-HXUWFJFHSA-N 2 1 345.462 3.038 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(OC)c1 ZINC000092066539 218114227 /nfs/dbraw/zinc/11/42/27/218114227.db2.gz JWGBVIUTQRISDR-OXQOHEQNSA-N 2 1 330.472 3.153 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(OC)c1 ZINC000092066539 218114230 /nfs/dbraw/zinc/11/42/30/218114230.db2.gz JWGBVIUTQRISDR-OXQOHEQNSA-N 2 1 330.472 3.153 20 0 EGADMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(OC)c1 ZINC000092066539 218114233 /nfs/dbraw/zinc/11/42/33/218114233.db2.gz JWGBVIUTQRISDR-OXQOHEQNSA-N 2 1 330.472 3.153 20 0 EGADMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(OC)c1 ZINC000092066539 218114235 /nfs/dbraw/zinc/11/42/35/218114235.db2.gz JWGBVIUTQRISDR-OXQOHEQNSA-N 2 1 330.472 3.153 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1OC(C)C ZINC000092043138 218109876 /nfs/dbraw/zinc/10/98/76/218109876.db2.gz HCTCOCPLHACBAQ-QZTJIDSGSA-N 2 1 332.488 3.399 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1OC(C)C ZINC000092043138 218109878 /nfs/dbraw/zinc/10/98/78/218109878.db2.gz HCTCOCPLHACBAQ-QZTJIDSGSA-N 2 1 332.488 3.399 20 0 EGADMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OC(C)C ZINC000092043138 218109881 /nfs/dbraw/zinc/10/98/81/218109881.db2.gz HCTCOCPLHACBAQ-QZTJIDSGSA-N 2 1 332.488 3.399 20 0 EGADMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1OC(C)C ZINC000092043138 218109883 /nfs/dbraw/zinc/10/98/83/218109883.db2.gz HCTCOCPLHACBAQ-QZTJIDSGSA-N 2 1 332.488 3.399 20 0 EGADMP CC[C@@H](C)C[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000093067019 218191478 /nfs/dbraw/zinc/19/14/78/218191478.db2.gz UJUXVYZOVPQEIB-QGZVFWFLSA-N 2 1 334.504 3.312 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(C(F)(F)F)c1 ZINC000095420766 218361782 /nfs/dbraw/zinc/36/17/82/218361782.db2.gz WNCBWAYADGWDGW-ZDUSSCGKSA-N 2 1 330.394 3.203 20 0 EGADMP Cc1n[nH]cc1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268774256 252223922 /nfs/dbraw/zinc/22/39/22/252223922.db2.gz RATBITRIJRDMLB-OXJNMPFZSA-N 2 1 326.488 3.293 20 0 EGADMP Cc1n[nH]cc1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268774256 252223929 /nfs/dbraw/zinc/22/39/29/252223929.db2.gz RATBITRIJRDMLB-OXJNMPFZSA-N 2 1 326.488 3.293 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000132239579 533003093 /nfs/dbraw/zinc/00/30/93/533003093.db2.gz KUKMVYCYKNKYEG-NEPJUHHUSA-N 2 1 334.261 3.166 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000132239579 533003098 /nfs/dbraw/zinc/00/30/98/533003098.db2.gz KUKMVYCYKNKYEG-NEPJUHHUSA-N 2 1 334.261 3.166 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc2ccc(F)cc2[nH]1 ZINC000349039479 285281932 /nfs/dbraw/zinc/28/19/32/285281932.db2.gz YEDAUHUDAFFYBL-IBGZPJMESA-N 2 1 346.494 3.155 20 0 EGADMP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000118968491 221214321 /nfs/dbraw/zinc/21/43/21/221214321.db2.gz BEMWSZNJCWINLJ-KRWDZBQOSA-N 2 1 344.421 3.071 20 0 EGADMP c1ccc(-c2noc(CC[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000119043160 221231396 /nfs/dbraw/zinc/23/13/96/221231396.db2.gz CNVAMSWBWHCYPS-GOSISDBHSA-N 2 1 340.471 3.229 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cc[nH]c(=O)c1 ZINC000339455314 141115200 /nfs/dbraw/zinc/11/52/00/141115200.db2.gz OEWUWXXBYAIGHN-TXPKVOOTSA-N 2 1 325.456 3.491 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cc[nH]c(=O)c1 ZINC000339455314 141115202 /nfs/dbraw/zinc/11/52/02/141115202.db2.gz OEWUWXXBYAIGHN-TXPKVOOTSA-N 2 1 325.456 3.491 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC(F)(F)C(F)(F)F)C[C@H]1C ZINC000346447441 141196344 /nfs/dbraw/zinc/19/63/44/141196344.db2.gz RBWJBJCJWABNFI-NEPJUHHUSA-N 2 1 332.357 3.005 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC(F)(F)C(F)(F)F)C[C@H]1C ZINC000346447441 141196345 /nfs/dbraw/zinc/19/63/45/141196345.db2.gz RBWJBJCJWABNFI-NEPJUHHUSA-N 2 1 332.357 3.005 20 0 EGADMP Cc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000347889045 141210637 /nfs/dbraw/zinc/21/06/37/141210637.db2.gz WQFCKLGKLMSYBR-OAHLLOKOSA-N 2 1 331.847 3.026 20 0 EGADMP Cc1cc(N2CC[N@H+]3CCOC[C@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000347889045 141210638 /nfs/dbraw/zinc/21/06/38/141210638.db2.gz WQFCKLGKLMSYBR-OAHLLOKOSA-N 2 1 331.847 3.026 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000352944043 141274375 /nfs/dbraw/zinc/27/43/75/141274375.db2.gz FJUAOAMQGNWAMH-HDICACEKSA-N 2 1 341.499 3.423 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000352944043 141274377 /nfs/dbraw/zinc/27/43/77/141274377.db2.gz FJUAOAMQGNWAMH-HDICACEKSA-N 2 1 341.499 3.423 20 0 EGADMP CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cscc1C(F)(F)F ZINC000356313018 141339485 /nfs/dbraw/zinc/33/94/85/141339485.db2.gz DBMPGOREJYIDTJ-UHFFFAOYSA-N 2 1 349.466 3.225 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000178701241 144075103 /nfs/dbraw/zinc/07/51/03/144075103.db2.gz OQJYKTFEIDYEPH-ABSDTBQOSA-N 3 1 332.536 3.460 20 0 EGADMP COC1CC[NH+](C2(C[NH2+][C@H](C)CC3CCOCC3)CCCC2)CC1 ZINC000344745129 144219179 /nfs/dbraw/zinc/21/91/79/144219179.db2.gz LGQRJIWFXZZBBP-QGZVFWFLSA-N 2 1 338.536 3.205 20 0 EGADMP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+]1Cc1ccccc1)C1CCCCC1 ZINC000344862863 144232517 /nfs/dbraw/zinc/23/25/17/144232517.db2.gz KSHNBTBYADJVDQ-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+]1Cc1ccccc1)C1CCCCC1 ZINC000344862863 144232520 /nfs/dbraw/zinc/23/25/20/144232520.db2.gz KSHNBTBYADJVDQ-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)C1CCCCC1 ZINC000344862863 144232521 /nfs/dbraw/zinc/23/25/21/144232521.db2.gz KSHNBTBYADJVDQ-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)C1CCCCC1 ZINC000344862863 144232523 /nfs/dbraw/zinc/23/25/23/144232523.db2.gz KSHNBTBYADJVDQ-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOC(c3ccccc3)c3ccccc3)C[C@H]12 ZINC000351475177 144266291 /nfs/dbraw/zinc/26/62/91/144266291.db2.gz HQNOYIDYPAUUCD-PCCBWWKXSA-N 2 1 336.479 3.462 20 0 EGADMP C[C@@H]1CCN(CC[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000351474013 144266627 /nfs/dbraw/zinc/26/66/27/144266627.db2.gz XCVZWDRYJQHMPZ-TZIWHRDSSA-N 2 1 329.532 3.457 20 0 EGADMP C[C@@H]1CCN(CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000351474013 144266629 /nfs/dbraw/zinc/26/66/29/144266629.db2.gz XCVZWDRYJQHMPZ-TZIWHRDSSA-N 2 1 329.532 3.457 20 0 EGADMP C[C@@H]1CCN(CC[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000351474013 144266631 /nfs/dbraw/zinc/26/66/31/144266631.db2.gz XCVZWDRYJQHMPZ-TZIWHRDSSA-N 2 1 329.532 3.457 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Br)cc4cccnc43)C[C@H]12 ZINC000351495936 144269537 /nfs/dbraw/zinc/26/95/37/144269537.db2.gz QDYIPLXXPMLERU-UHOFOFEASA-N 2 1 346.272 3.166 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Br)cc4cccnc43)C[C@H]12 ZINC000351495936 144269540 /nfs/dbraw/zinc/26/95/40/144269540.db2.gz QDYIPLXXPMLERU-UHOFOFEASA-N 2 1 346.272 3.166 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000351695828 144291527 /nfs/dbraw/zinc/29/15/27/144291527.db2.gz PWLDDVRRLRXTOU-GOSISDBHSA-N 2 1 349.519 3.192 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000351866403 144317474 /nfs/dbraw/zinc/31/74/74/144317474.db2.gz STCBFDBKOWMORQ-KFKAGJAMSA-N 2 1 348.450 3.495 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000351866403 144317475 /nfs/dbraw/zinc/31/74/75/144317475.db2.gz STCBFDBKOWMORQ-KFKAGJAMSA-N 2 1 348.450 3.495 20 0 EGADMP C[NH+](C)[C@@H](CNc1cc[nH+]cc1Br)c1cccc(F)c1 ZINC000341348285 155245878 /nfs/dbraw/zinc/24/58/78/155245878.db2.gz ANNPQZBQYAORCT-HNNXBMFYSA-N 2 1 338.224 3.120 20 0 EGADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000341442904 155293487 /nfs/dbraw/zinc/29/34/87/155293487.db2.gz SHYUQWYNXUGEFF-SFHVURJKSA-N 2 1 344.547 3.146 20 0 EGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000341442904 155293489 /nfs/dbraw/zinc/29/34/89/155293489.db2.gz SHYUQWYNXUGEFF-SFHVURJKSA-N 2 1 344.547 3.146 20 0 EGADMP Cc1noc(C)c1CC[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000119407081 152202653 /nfs/dbraw/zinc/20/26/53/152202653.db2.gz OTLCFFMGUNWMQX-UHFFFAOYSA-N 2 1 327.472 3.430 20 0 EGADMP Cc1noc(C)c1CCN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119407081 152202657 /nfs/dbraw/zinc/20/26/57/152202657.db2.gz OTLCFFMGUNWMQX-UHFFFAOYSA-N 2 1 327.472 3.430 20 0 EGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc3cccnc3s2)CC1 ZINC000341579601 155363789 /nfs/dbraw/zinc/36/37/89/155363789.db2.gz WQOWCLZZYNLVDG-UHFFFAOYSA-N 2 1 348.516 3.014 20 0 EGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC12CCCC2 ZINC000189217666 153057368 /nfs/dbraw/zinc/05/73/68/153057368.db2.gz CDDWWRIFZWHSCO-UXHICEINSA-N 2 1 328.500 3.456 20 0 EGADMP Clc1c[nH+]ccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192226860 153247416 /nfs/dbraw/zinc/24/74/16/153247416.db2.gz LJKHJCROTJFPAS-MRXNPFEDSA-N 2 1 331.847 3.438 20 0 EGADMP Clc1c[nH+]ccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192226860 153247418 /nfs/dbraw/zinc/24/74/18/153247418.db2.gz LJKHJCROTJFPAS-MRXNPFEDSA-N 2 1 331.847 3.438 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000192918677 153266148 /nfs/dbraw/zinc/26/61/48/153266148.db2.gz SKFMVNCUALOYIL-HAGHYFMRSA-N 2 1 326.484 3.056 20 0 EGADMP COc1ccc(C[C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000193058573 153273890 /nfs/dbraw/zinc/27/38/90/153273890.db2.gz QJVFXEGORNQYQB-MIGBEJBISA-N 2 1 332.488 3.097 20 0 EGADMP CCOc1ccc(C[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000193461348 153290984 /nfs/dbraw/zinc/29/09/84/153290984.db2.gz HNITWHTXLOXGCF-UHFFFAOYSA-N 2 1 345.531 3.079 20 0 EGADMP O[C@@H](C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)C[NH+]1CCCC1 ZINC000305121063 154084046 /nfs/dbraw/zinc/08/40/46/154084046.db2.gz JOLZDCHSBHIBOL-XHDPSFHLSA-N 2 1 329.271 3.027 20 0 EGADMP Cc1nn(C)c(C)c1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000310081224 154140234 /nfs/dbraw/zinc/14/02/34/154140234.db2.gz JJJVCTZYNVFDDB-HXUWFJFHSA-N 2 1 326.488 3.039 20 0 EGADMP Cc1nn(C)c(C)c1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000310081224 154140239 /nfs/dbraw/zinc/14/02/39/154140239.db2.gz JJJVCTZYNVFDDB-HXUWFJFHSA-N 2 1 326.488 3.039 20 0 EGADMP C[C@@H](C[NH2+][C@@H]1CCCOc2cc(Br)ccc21)C[NH+](C)C ZINC000312512811 154152479 /nfs/dbraw/zinc/15/24/79/154152479.db2.gz NINJCSGAGQSPLL-SWLSCSKDSA-N 2 1 341.293 3.450 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000323581393 154170364 /nfs/dbraw/zinc/17/03/64/154170364.db2.gz VORFWQMLUCIKQK-TZMCWYRMSA-N 2 1 328.403 3.117 20 0 EGADMP Cc1ccc(-c2nc(C[NH+]3CCC(OCCC[NH3+])CC3)cs2)cc1 ZINC000325694211 154180025 /nfs/dbraw/zinc/18/00/25/154180025.db2.gz OEEHSDTYRKIMJG-UHFFFAOYSA-N 2 1 345.512 3.448 20 0 EGADMP CC(C)(CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000337397857 154332857 /nfs/dbraw/zinc/33/28/57/154332857.db2.gz JSNWYWTZANGHNZ-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)(CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000337397857 154332861 /nfs/dbraw/zinc/33/28/61/154332861.db2.gz JSNWYWTZANGHNZ-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)(CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000337397855 154333331 /nfs/dbraw/zinc/33/33/31/154333331.db2.gz JSNWYWTZANGHNZ-IBGZPJMESA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)(CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000337397855 154333333 /nfs/dbraw/zinc/33/33/33/154333333.db2.gz JSNWYWTZANGHNZ-IBGZPJMESA-N 2 1 343.515 3.032 20 0 EGADMP CC1(C)CN(C(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000339938400 155041371 /nfs/dbraw/zinc/04/13/71/155041371.db2.gz PYCNAJUROJAOHZ-UHFFFAOYSA-N 2 1 348.450 3.071 20 0 EGADMP CC1(C)CN(C(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1ccccc1 ZINC000339938400 155041373 /nfs/dbraw/zinc/04/13/73/155041373.db2.gz PYCNAJUROJAOHZ-UHFFFAOYSA-N 2 1 348.450 3.071 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@H]21 ZINC000346821076 156150415 /nfs/dbraw/zinc/15/04/15/156150415.db2.gz LFUMSQKPZMUZBA-KBRIMQKVSA-N 2 1 330.863 3.289 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3OCc3ccccn3)C[C@@H]21 ZINC000346851322 156164881 /nfs/dbraw/zinc/16/48/81/156164881.db2.gz VZVSKTKQJMWPLF-FFZOFVMBSA-N 2 1 337.467 3.220 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c(Cl)cccc3N3CCCC3)C[C@@H]21 ZINC000346851306 156165023 /nfs/dbraw/zinc/16/50/23/156165023.db2.gz VUGLJNQSPQBZOF-RLFYNMQTSA-N 2 1 333.907 3.499 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000349091586 156352305 /nfs/dbraw/zinc/35/23/05/156352305.db2.gz YNLRMNZVPXXDTA-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000365421159 157119563 /nfs/dbraw/zinc/11/95/63/157119563.db2.gz ISRWSOVWDDHYGD-HBMCJLEFSA-N 2 1 346.515 3.071 20 0 EGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000365421159 157119570 /nfs/dbraw/zinc/11/95/70/157119570.db2.gz ISRWSOVWDDHYGD-HBMCJLEFSA-N 2 1 346.515 3.071 20 0 EGADMP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000365445586 157127202 /nfs/dbraw/zinc/12/72/02/157127202.db2.gz WPDLAWYAKORGLB-IBGZPJMESA-N 2 1 335.536 3.164 20 0 EGADMP CCCCCC[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365500684 157147855 /nfs/dbraw/zinc/14/78/55/157147855.db2.gz DEAIUMGBGAMLSS-MJGOQNOKSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[C@@H](C)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365500684 157147857 /nfs/dbraw/zinc/14/78/57/157147857.db2.gz DEAIUMGBGAMLSS-MJGOQNOKSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[C@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000093508766 162013963 /nfs/dbraw/zinc/01/39/63/162013963.db2.gz HDHIRNSPANOHBO-FQEVSTJZSA-N 2 1 345.531 3.218 20 0 EGADMP CCC[C@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000093508766 162013965 /nfs/dbraw/zinc/01/39/65/162013965.db2.gz HDHIRNSPANOHBO-FQEVSTJZSA-N 2 1 345.531 3.218 20 0 EGADMP COc1cc(C)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1OC ZINC000093563976 162015407 /nfs/dbraw/zinc/01/54/07/162015407.db2.gz FTDZKOHVPYXIKR-SFHVURJKSA-N 2 1 332.488 3.463 20 0 EGADMP COc1cc(C)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1OC ZINC000093563976 162015410 /nfs/dbraw/zinc/01/54/10/162015410.db2.gz FTDZKOHVPYXIKR-SFHVURJKSA-N 2 1 332.488 3.463 20 0 EGADMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)s1 ZINC000248455072 163006157 /nfs/dbraw/zinc/00/61/57/163006157.db2.gz RGUKWIBZULQJEJ-MAUKXSAKSA-N 2 1 330.497 3.474 20 0 EGADMP C[C@H]1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@H]1n1ccnc1 ZINC000248555512 163013257 /nfs/dbraw/zinc/01/32/57/163013257.db2.gz KOMRUEKRMYBQJX-FUHWJXTLSA-N 2 1 346.519 3.051 20 0 EGADMP CC(C)OCC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338327944 163211618 /nfs/dbraw/zinc/21/16/18/163211618.db2.gz PREYJYZKUKKYQK-PMACEKPBSA-N 2 1 348.531 3.053 20 0 EGADMP CC(C)OCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338327944 163211620 /nfs/dbraw/zinc/21/16/20/163211620.db2.gz PREYJYZKUKKYQK-PMACEKPBSA-N 2 1 348.531 3.053 20 0 EGADMP CC(C)[N@@H+](C)CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000338530234 163262115 /nfs/dbraw/zinc/26/21/15/163262115.db2.gz DAYKVWCJRPJNHY-UHFFFAOYSA-N 2 1 346.519 3.177 20 0 EGADMP O[C@@]1(C[NH2+]C(C2CCC2)C2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000338781651 163347688 /nfs/dbraw/zinc/34/76/88/163347688.db2.gz PYURJCQEXHPBTE-OAQYLSRUSA-N 2 1 328.500 3.182 20 0 EGADMP O[C@@]1(C[NH2+]C(C2CCC2)C2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000338781651 163347690 /nfs/dbraw/zinc/34/76/90/163347690.db2.gz PYURJCQEXHPBTE-OAQYLSRUSA-N 2 1 328.500 3.182 20 0 EGADMP CCCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000343999177 164079488 /nfs/dbraw/zinc/07/94/88/164079488.db2.gz FJYPQLJYXYHEDC-MOPGFXCFSA-N 2 1 331.504 3.095 20 0 EGADMP CC[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccccc1OC ZINC000344075859 164097118 /nfs/dbraw/zinc/09/71/18/164097118.db2.gz MXSKHXJAPMPLIS-GOSISDBHSA-N 2 1 343.471 3.272 20 0 EGADMP CC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccccc1OC ZINC000344075860 164098069 /nfs/dbraw/zinc/09/80/69/164098069.db2.gz MXSKHXJAPMPLIS-SFHVURJKSA-N 2 1 343.471 3.272 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccnn1C ZINC000192897226 287041038 /nfs/dbraw/zinc/04/10/38/287041038.db2.gz KYMWDENDBNZUNP-MRXNPFEDSA-N 2 1 338.455 3.496 20 0 EGADMP CC(C)(C)OC(=O)CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000346015584 164318776 /nfs/dbraw/zinc/31/87/76/164318776.db2.gz NALPMEYLYABAHB-UHFFFAOYSA-N 2 1 332.488 3.363 20 0 EGADMP Cc1cccc(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)[nH+]1 ZINC000354893753 166057719 /nfs/dbraw/zinc/05/77/19/166057719.db2.gz NBUPBRSCTIQDDX-UHFFFAOYSA-N 2 1 338.499 3.400 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccsc3)C2)CC1 ZINC000349194253 164838377 /nfs/dbraw/zinc/83/83/77/164838377.db2.gz RSIWSJKHXSCVFS-HNNXBMFYSA-N 2 1 330.501 3.302 20 0 EGADMP CCOc1cccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000352075051 165222052 /nfs/dbraw/zinc/22/20/52/165222052.db2.gz AVELBAGPYOTVKH-MJGOQNOKSA-N 2 1 339.483 3.481 20 0 EGADMP CCOc1cccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000352075051 165222054 /nfs/dbraw/zinc/22/20/54/165222054.db2.gz AVELBAGPYOTVKH-MJGOQNOKSA-N 2 1 339.483 3.481 20 0 EGADMP CCCC[N@@H+](C)CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000352378809 165371208 /nfs/dbraw/zinc/37/12/08/165371208.db2.gz QONCTOGLLXMQCA-UHFFFAOYSA-N 2 1 331.504 3.134 20 0 EGADMP CCN(C)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000355207712 166133476 /nfs/dbraw/zinc/13/34/76/166133476.db2.gz XZGZQTFSGQLWLZ-FQEVSTJZSA-N 2 1 338.499 3.149 20 0 EGADMP CCCOc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000355207588 166134133 /nfs/dbraw/zinc/13/41/33/166134133.db2.gz OKOKQJULTVPOFP-YSIASYRMSA-N 2 1 332.488 3.159 20 0 EGADMP CCCOc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000355207588 166134136 /nfs/dbraw/zinc/13/41/36/166134136.db2.gz OKOKQJULTVPOFP-YSIASYRMSA-N 2 1 332.488 3.159 20 0 EGADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000355378027 166179710 /nfs/dbraw/zinc/17/97/10/166179710.db2.gz YVARYYDZLKKICR-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP CC[C@@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000355791178 166310486 /nfs/dbraw/zinc/31/04/86/166310486.db2.gz IBXBBEZBIMGUFN-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP FC(F)(F)c1ccc(OCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358519760 166887606 /nfs/dbraw/zinc/88/76/06/166887606.db2.gz SNRYOZNFVNEYPQ-UHFFFAOYSA-N 2 1 328.378 3.160 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cn1 ZINC000359224526 167101072 /nfs/dbraw/zinc/10/10/72/167101072.db2.gz FAYMTGYWIJKIDC-DNVCBOLYSA-N 2 1 343.446 3.028 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)cn1 ZINC000359224526 167101073 /nfs/dbraw/zinc/10/10/73/167101073.db2.gz FAYMTGYWIJKIDC-DNVCBOLYSA-N 2 1 343.446 3.028 20 0 EGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000359552741 167190618 /nfs/dbraw/zinc/19/06/18/167190618.db2.gz GTASMHAPVKWJCC-VDZJLULYSA-N 2 1 343.471 3.128 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000359777455 167229697 /nfs/dbraw/zinc/22/96/97/167229697.db2.gz HZPWJSHMZUBBSS-INIZCTEOSA-N 2 1 340.471 3.097 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000366254424 168098901 /nfs/dbraw/zinc/09/89/01/168098901.db2.gz HLRQKXDVERFPIK-LJQANCHMSA-N 2 1 343.515 3.275 20 0 EGADMP CC(C)c1nccn1CCC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000366726209 168132457 /nfs/dbraw/zinc/13/24/57/168132457.db2.gz WGFPFPFBVZKUFT-GOSISDBHSA-N 2 1 346.519 3.310 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000366726209 168132460 /nfs/dbraw/zinc/13/24/60/168132460.db2.gz WGFPFPFBVZKUFT-GOSISDBHSA-N 2 1 346.519 3.310 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000366726209 168132461 /nfs/dbraw/zinc/13/24/61/168132461.db2.gz WGFPFPFBVZKUFT-GOSISDBHSA-N 2 1 346.519 3.310 20 0 EGADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000366960010 168162289 /nfs/dbraw/zinc/16/22/89/168162289.db2.gz GLDXLTLNGRNICG-NRFANRHFSA-N 2 1 349.478 3.199 20 0 EGADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000366960010 168162290 /nfs/dbraw/zinc/16/22/90/168162290.db2.gz GLDXLTLNGRNICG-NRFANRHFSA-N 2 1 349.478 3.199 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCSC1CCCCC1 ZINC000367042338 168172114 /nfs/dbraw/zinc/17/21/14/168172114.db2.gz GMBNQNIODBOACP-BPQIPLTHSA-N 2 1 326.550 3.236 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000367765421 168267877 /nfs/dbraw/zinc/26/78/77/168267877.db2.gz MXCYPWATJNAVTM-NVXWUHKLSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H](O)c1ncc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000368014681 168296919 /nfs/dbraw/zinc/29/69/19/168296919.db2.gz AXRYVYNRCUJFCX-NVXWUHKLSA-N 2 1 345.512 3.198 20 0 EGADMP C[C@@H](O)c1ncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000368014681 168296922 /nfs/dbraw/zinc/29/69/22/168296922.db2.gz AXRYVYNRCUJFCX-NVXWUHKLSA-N 2 1 345.512 3.198 20 0 EGADMP C[C@@H](CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[N@@H+](C)Cc1ccccc1 ZINC000194066350 266088649 /nfs/dbraw/zinc/08/86/49/266088649.db2.gz GRUXTGRPSZKFPS-OJAHFUOMSA-N 2 1 328.500 3.444 20 0 EGADMP C[N@@H+](CCCNC(=O)CC[C@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000237067010 266224111 /nfs/dbraw/zinc/22/41/11/266224111.db2.gz GEHDJWJEBQVBLC-FQEVSTJZSA-N 2 1 339.483 3.105 20 0 EGADMP C[C@H]([NH2+]CCc1nc2ccccc2n1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273318838 267019148 /nfs/dbraw/zinc/01/91/48/267019148.db2.gz WDUIYBSHNAYGRC-DLBZAZTESA-N 2 1 340.515 3.358 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000274828179 267293957 /nfs/dbraw/zinc/29/39/57/267293957.db2.gz LILWDWFGKFSTKL-MRXNPFEDSA-N 2 1 325.815 3.040 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000274828179 267293959 /nfs/dbraw/zinc/29/39/59/267293959.db2.gz LILWDWFGKFSTKL-MRXNPFEDSA-N 2 1 325.815 3.040 20 0 EGADMP CCC[N@H+]1CC[C@H](CN[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000274897816 267303206 /nfs/dbraw/zinc/30/32/06/267303206.db2.gz KQQABFMRNGHCOO-HMXCVIKNSA-N 2 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CC[C@H](CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000274897816 267303208 /nfs/dbraw/zinc/30/32/08/267303208.db2.gz KQQABFMRNGHCOO-HMXCVIKNSA-N 2 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CC[C@H](CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000274897816 267303212 /nfs/dbraw/zinc/30/32/12/267303212.db2.gz KQQABFMRNGHCOO-HMXCVIKNSA-N 2 1 329.532 3.219 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000274897816 267303214 /nfs/dbraw/zinc/30/32/14/267303214.db2.gz KQQABFMRNGHCOO-HMXCVIKNSA-N 3 1 329.532 3.219 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000274897816 267303217 /nfs/dbraw/zinc/30/32/17/267303217.db2.gz KQQABFMRNGHCOO-HMXCVIKNSA-N 3 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000274897816 267303220 /nfs/dbraw/zinc/30/32/20/267303220.db2.gz KQQABFMRNGHCOO-HMXCVIKNSA-N 3 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000274897816 267303221 /nfs/dbraw/zinc/30/32/21/267303221.db2.gz KQQABFMRNGHCOO-HMXCVIKNSA-N 3 1 329.532 3.219 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)Nc1ccccc1CC[NH+](C)C)c1ccccc1 ZINC000275599946 267389216 /nfs/dbraw/zinc/38/92/16/267389216.db2.gz GSMHAKGFDOAPGJ-HXUWFJFHSA-N 2 1 339.483 3.422 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccccc1CC[NH+](C)C)c1ccccc1 ZINC000275599946 267389219 /nfs/dbraw/zinc/38/92/19/267389219.db2.gz GSMHAKGFDOAPGJ-HXUWFJFHSA-N 2 1 339.483 3.422 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cnc2ccsc2c1 ZINC000278412941 268007536 /nfs/dbraw/zinc/00/75/36/268007536.db2.gz FMCSDSZCMWDCGV-LSDHHAIUSA-N 2 1 333.501 3.448 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cnc2ccsc2c1 ZINC000278412941 268007539 /nfs/dbraw/zinc/00/75/39/268007539.db2.gz FMCSDSZCMWDCGV-LSDHHAIUSA-N 2 1 333.501 3.448 20 0 EGADMP C[NH+](C)Cc1ccc(-c2noc([C@@H](c3ccccc3)[NH+](C)C)n2)cc1 ZINC000278485555 268024382 /nfs/dbraw/zinc/02/43/82/268024382.db2.gz AXXICHRFOQCFMA-GOSISDBHSA-N 2 1 336.439 3.449 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000154465097 274340600 /nfs/dbraw/zinc/34/06/00/274340600.db2.gz CSKYOCFEHLBGTE-SPYBWZPUSA-N 2 1 326.488 3.119 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3nn(C)cc32)CC[N@@H+]1Cc1ccccc1 ZINC000368444716 274394201 /nfs/dbraw/zinc/39/42/01/274394201.db2.gz DDNAWGOVPPECMU-KPFFTGBYSA-N 2 1 338.499 3.440 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3nn(C)cc32)CC[N@H+]1Cc1ccccc1 ZINC000368444716 274394205 /nfs/dbraw/zinc/39/42/05/274394205.db2.gz DDNAWGOVPPECMU-KPFFTGBYSA-N 2 1 338.499 3.440 20 0 EGADMP c1[nH+]c(C2CC[NH+](CCCO[C@@H]3CCCCO3)CC2)n2c1CCCC2 ZINC000338372056 275075486 /nfs/dbraw/zinc/07/54/86/275075486.db2.gz JJSVXYZCXNBWMR-LJQANCHMSA-N 2 1 347.503 3.332 20 0 EGADMP CC(C)[C@@H](O)C1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000271887344 275238897 /nfs/dbraw/zinc/23/88/97/275238897.db2.gz RAOIHFRIRFNFHL-HXUWFJFHSA-N 2 1 348.506 3.219 20 0 EGADMP COc1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000278871101 275283053 /nfs/dbraw/zinc/28/30/53/275283053.db2.gz MCODYSCYQVKBDB-UHFFFAOYSA-N 2 1 326.444 3.003 20 0 EGADMP c1cn2c(cccc2C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000279395752 275327763 /nfs/dbraw/zinc/32/77/63/275327763.db2.gz KNUKETBRHIOHGH-UHFFFAOYSA-N 2 1 335.455 3.247 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000280046717 275396700 /nfs/dbraw/zinc/39/67/00/275396700.db2.gz XGFWAEJHNQKOGZ-OWCLPIDISA-N 2 1 343.471 3.245 20 0 EGADMP COc1ccccc1-n1nccc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000281659037 275566273 /nfs/dbraw/zinc/56/62/73/275566273.db2.gz NJFLFMGPFGPINR-UHFFFAOYSA-N 2 1 342.487 3.091 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000286750625 276039792 /nfs/dbraw/zinc/03/97/92/276039792.db2.gz YTRBYHNWDUKOOL-ONEGZZNKSA-N 2 1 338.442 3.457 20 0 EGADMP FC(F)(F)[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000286871780 276052381 /nfs/dbraw/zinc/05/23/81/276052381.db2.gz HMUWPWVRGAFPDS-IAGOWNOFSA-N 2 1 342.405 3.351 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000286978314 276065739 /nfs/dbraw/zinc/06/57/39/276065739.db2.gz IWFXWFWQCFPSOQ-HQRMLTQVSA-N 2 1 333.520 3.149 20 0 EGADMP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000287100371 276083559 /nfs/dbraw/zinc/08/35/59/276083559.db2.gz QALQSXUIMSPWRL-RTBURBONSA-N 2 1 344.503 3.006 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287243684 276100240 /nfs/dbraw/zinc/10/02/40/276100240.db2.gz YYNFKTXHDKNCON-STZQEDGTSA-N 2 1 338.495 3.090 20 0 EGADMP Cc1ccnc(C)c1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000287492743 276124721 /nfs/dbraw/zinc/12/47/21/276124721.db2.gz KYEVOQVGGUNOTL-NVXWUHKLSA-N 2 1 328.460 3.179 20 0 EGADMP COC[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1F ZINC000287845841 276162826 /nfs/dbraw/zinc/16/28/26/276162826.db2.gz WMBXPCLXFNNEDO-WBMJQRKESA-N 2 1 326.843 3.241 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000338435600 276165590 /nfs/dbraw/zinc/16/55/90/276165590.db2.gz KPXFINZUTNLHLK-KRWDZBQOSA-N 2 1 326.488 3.217 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287904240 276168225 /nfs/dbraw/zinc/16/82/25/276168225.db2.gz ZUNARHMIJFXQHI-IAGOWNOFSA-N 2 1 327.476 3.038 20 0 EGADMP COc1cc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc(OC)c1O ZINC000289251960 276311260 /nfs/dbraw/zinc/31/12/60/276311260.db2.gz LXWXLXBCHNIAMZ-HNNXBMFYSA-N 2 1 336.476 3.154 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)OC)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289404852 276333844 /nfs/dbraw/zinc/33/38/44/276333844.db2.gz GZZLKYNJOKRTCX-UHFFFAOYSA-N 2 1 330.428 3.150 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C(=O)NC)cc1 ZINC000289448729 276340671 /nfs/dbraw/zinc/34/06/71/276340671.db2.gz MZSRQQLRSIOEAC-UHFFFAOYSA-N 2 1 339.483 3.130 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000289685745 276378156 /nfs/dbraw/zinc/37/81/56/276378156.db2.gz ZQCVHJPQEKPVCL-IAGOWNOFSA-N 2 1 342.405 3.201 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000289685745 276378157 /nfs/dbraw/zinc/37/81/57/276378157.db2.gz ZQCVHJPQEKPVCL-IAGOWNOFSA-N 2 1 342.405 3.201 20 0 EGADMP CSC1(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC000356089663 278122651 /nfs/dbraw/zinc/12/26/51/278122651.db2.gz QOOBMMHRJYOICC-IYBDPMFKSA-N 2 1 326.550 3.093 20 0 EGADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356910804 278259810 /nfs/dbraw/zinc/25/98/10/278259810.db2.gz YZFMRWDJSQFAGZ-GJZGRUSLSA-N 2 1 335.458 3.113 20 0 EGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356910804 278259813 /nfs/dbraw/zinc/25/98/13/278259813.db2.gz YZFMRWDJSQFAGZ-GJZGRUSLSA-N 2 1 335.458 3.113 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373517975 288105540 /nfs/dbraw/zinc/10/55/40/288105540.db2.gz FKCXTDCYWDASPV-HYOCIYNVSA-N 2 1 347.469 3.110 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373517975 288105543 /nfs/dbraw/zinc/10/55/43/288105543.db2.gz FKCXTDCYWDASPV-HYOCIYNVSA-N 2 1 347.469 3.110 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373517975 288105546 /nfs/dbraw/zinc/10/55/46/288105546.db2.gz FKCXTDCYWDASPV-HYOCIYNVSA-N 2 1 347.469 3.110 20 0 EGADMP CC[N@@H+]1CCC[C@@H](CN(C)c2cc[nH+]cc2Cl)[C@@H]1c1cnn(C)c1 ZINC000337871358 279292509 /nfs/dbraw/zinc/29/25/09/279292509.db2.gz NWFVPIZIPMKJNE-KBXCAEBGSA-N 2 1 347.894 3.378 20 0 EGADMP CC[N@H+]1CCC[C@@H](CN(C)c2cc[nH+]cc2Cl)[C@@H]1c1cnn(C)c1 ZINC000337871358 279292510 /nfs/dbraw/zinc/29/25/10/279292510.db2.gz NWFVPIZIPMKJNE-KBXCAEBGSA-N 2 1 347.894 3.378 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000154497595 279357028 /nfs/dbraw/zinc/35/70/28/279357028.db2.gz KJPIQQCAXPLQGI-OAQYLSRUSA-N 2 1 349.538 3.400 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC[N@H+]1C ZINC000180677144 297283556 /nfs/dbraw/zinc/28/35/56/297283556.db2.gz VHWDESUEYUTBFL-CVEARBPZSA-N 2 1 336.907 3.461 20 0 EGADMP [NH3+]CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)CC1CCCC1 ZINC000352519389 303376672 /nfs/dbraw/zinc/37/66/72/303376672.db2.gz OHJAZUALJVMRPD-UHFFFAOYSA-N 2 1 341.858 3.259 20 0 EGADMP [NH3+]CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1F)CC1CCCC1 ZINC000352519389 303376674 /nfs/dbraw/zinc/37/66/74/303376674.db2.gz OHJAZUALJVMRPD-UHFFFAOYSA-N 2 1 341.858 3.259 20 0 EGADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116396019 307483570 /nfs/dbraw/zinc/48/35/70/307483570.db2.gz VRYQCPINXADKIK-YOEHRIQHSA-N 2 1 337.483 3.417 20 0 EGADMP COC(=O)c1cnc([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000414077203 309059417 /nfs/dbraw/zinc/05/94/17/309059417.db2.gz QZEYCVSSCLTFHM-KBPBESRZSA-N 2 1 339.505 3.235 20 0 EGADMP COC(=O)c1cnc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000414077203 309059418 /nfs/dbraw/zinc/05/94/18/309059418.db2.gz QZEYCVSSCLTFHM-KBPBESRZSA-N 2 1 339.505 3.235 20 0 EGADMP COC(=O)[C@@H](C)[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccccc1 ZINC000129195834 307611302 /nfs/dbraw/zinc/61/13/02/307611302.db2.gz PENDGSXFWLHZPC-MAUKXSAKSA-N 2 1 329.444 3.112 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCOC[C@@H]2CCOC2)cc1 ZINC000158215622 307856535 /nfs/dbraw/zinc/85/65/35/307856535.db2.gz OIYDDYSSNROQFB-WMZOPIPTSA-N 2 1 343.471 3.275 20 0 EGADMP CC(C)(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)OCC1CC1 ZINC000414272621 309070037 /nfs/dbraw/zinc/07/00/37/309070037.db2.gz QGNNDMQVARQAIZ-UHFFFAOYSA-N 2 1 330.516 3.488 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248577682 308006216 /nfs/dbraw/zinc/00/62/16/308006216.db2.gz NUSYGIYDWUIVMV-FGTMMUONSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248577682 308006217 /nfs/dbraw/zinc/00/62/17/308006217.db2.gz NUSYGIYDWUIVMV-FGTMMUONSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@]1(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CCC[NH2+]1 ZINC000248759253 308011261 /nfs/dbraw/zinc/01/12/61/308011261.db2.gz VTFGHLJZDUHNRW-UTKZUKDTSA-N 2 1 343.515 3.067 20 0 EGADMP CC(C)c1nc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cs1 ZINC000249024546 308017101 /nfs/dbraw/zinc/01/71/01/308017101.db2.gz REWSYSOGFKSUTK-GJZGRUSLSA-N 2 1 325.522 3.154 20 0 EGADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000249177560 308020579 /nfs/dbraw/zinc/02/05/79/308020579.db2.gz GCEKKLMIBNLNPS-ACRUOGEOSA-N 2 1 330.516 3.323 20 0 EGADMP Cc1cc2oc(=O)cc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)c2cc1C ZINC000293127399 308101676 /nfs/dbraw/zinc/10/16/76/308101676.db2.gz ZNDOMZIACNSXLS-NRFANRHFSA-N 2 1 340.467 3.328 20 0 EGADMP Cc1cc2oc(=O)cc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)c2cc1C ZINC000293127399 308101677 /nfs/dbraw/zinc/10/16/77/308101677.db2.gz ZNDOMZIACNSXLS-NRFANRHFSA-N 2 1 340.467 3.328 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)c2cc1C ZINC000293127399 308101679 /nfs/dbraw/zinc/10/16/79/308101679.db2.gz ZNDOMZIACNSXLS-NRFANRHFSA-N 2 1 340.467 3.328 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)c2cc1C ZINC000293127399 308101680 /nfs/dbraw/zinc/10/16/80/308101680.db2.gz ZNDOMZIACNSXLS-NRFANRHFSA-N 2 1 340.467 3.328 20 0 EGADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)on1 ZINC000293418438 308128685 /nfs/dbraw/zinc/12/86/85/308128685.db2.gz SNYIMPYNTIJBCW-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP CO[C@](C)([C@@H](C)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C1CC1 ZINC000414500237 309084753 /nfs/dbraw/zinc/08/47/53/309084753.db2.gz KZXSCDYTJMYXCM-FZKQIMNGSA-N 2 1 337.533 3.203 20 0 EGADMP CO[C@](C)([C@@H](C)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C1CC1 ZINC000414500237 309084754 /nfs/dbraw/zinc/08/47/54/309084754.db2.gz KZXSCDYTJMYXCM-FZKQIMNGSA-N 2 1 337.533 3.203 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000293771097 308160516 /nfs/dbraw/zinc/16/05/16/308160516.db2.gz PPNXXFSEZCYYOY-HXUWFJFHSA-N 2 1 349.950 3.278 20 0 EGADMP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000293788576 308162099 /nfs/dbraw/zinc/16/20/99/308162099.db2.gz AGTLUKPLGYKXDB-FQEVSTJZSA-N 2 1 343.515 3.033 20 0 EGADMP Cc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1F ZINC000294928563 308272902 /nfs/dbraw/zinc/27/29/02/308272902.db2.gz BWQUOLHQLZHCCQ-HXUWFJFHSA-N 2 1 342.458 3.381 20 0 EGADMP CS[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000295049979 308285477 /nfs/dbraw/zinc/28/54/77/308285477.db2.gz NJIIHQOMWDIHGC-GOSISDBHSA-N 2 1 333.545 3.154 20 0 EGADMP CCc1ccc2[nH+]ccc(N[C@@H](C)CCN3CC[NH+](C)CC3)c2c1 ZINC000295135690 308295495 /nfs/dbraw/zinc/29/54/95/308295495.db2.gz YSXYCPSVHWVZHS-INIZCTEOSA-N 2 1 326.488 3.235 20 0 EGADMP C[C@H](CCO)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000295148328 308296925 /nfs/dbraw/zinc/29/69/25/308296925.db2.gz QWHCHDHJXNIGNN-MJUUVYJYSA-N 2 1 330.516 3.285 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OCc1ccccc1 ZINC000414654224 309093823 /nfs/dbraw/zinc/09/38/23/309093823.db2.gz BPFMTKIUXFKLNN-VQIMIIECSA-N 2 1 340.467 3.443 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)CC[NH2+]1 ZINC000414709373 309096594 /nfs/dbraw/zinc/09/65/94/309096594.db2.gz JWBYFZONYRSEIC-CPUCHLNUSA-N 2 1 342.405 3.467 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000414712731 309096792 /nfs/dbraw/zinc/09/67/92/309096792.db2.gz ODKLGCAGWJECKB-INIZCTEOSA-N 2 1 344.503 3.264 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](CC1CCC1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414718494 309097196 /nfs/dbraw/zinc/09/71/96/309097196.db2.gz ZECHAWQJWIRZHV-MJGOQNOKSA-N 2 1 343.515 3.047 20 0 EGADMP C[C@H]1C[C@@H](C[N@H+]2CCCN(CCCc3ccccc3)CC2)CC[NH2+]1 ZINC000414673105 309094891 /nfs/dbraw/zinc/09/48/91/309094891.db2.gz QGJDEVORNRXPCH-FPOVZHCZSA-N 2 1 329.532 3.015 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)NCC1([NH3+])CCC1)C1CCCCC1 ZINC000414719395 309097342 /nfs/dbraw/zinc/09/73/42/309097342.db2.gz YIAZNAJJZSUKHN-UHFFFAOYSA-N 2 1 344.503 3.454 20 0 EGADMP Cc1[nH+]ccn1CC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000297707966 308557412 /nfs/dbraw/zinc/55/74/12/308557412.db2.gz XZLPZQXOLOGMKC-UHFFFAOYSA-N 2 1 340.471 3.105 20 0 EGADMP c1cn2c(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c(C3CC3)nc2s1 ZINC000414789194 309101533 /nfs/dbraw/zinc/10/15/33/309101533.db2.gz XXOBLKCMFQLDDV-LSDHHAIUSA-N 2 1 330.501 3.095 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298321026 308603333 /nfs/dbraw/zinc/60/33/33/308603333.db2.gz IIXHEFKBDLCDQW-UHFFFAOYSA-N 2 1 335.879 3.193 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H]1SC ZINC000298568150 308625493 /nfs/dbraw/zinc/62/54/93/308625493.db2.gz WUBJTCITTVUNJX-XUVXKRRUSA-N 2 1 348.556 3.192 20 0 EGADMP CC[C@@H](CCc1ccc(Br)cc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414815520 309103277 /nfs/dbraw/zinc/10/32/77/309103277.db2.gz UMBFVHKZHKEVJD-JKSUJKDBSA-N 2 1 325.294 3.487 20 0 EGADMP CCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414828329 309104087 /nfs/dbraw/zinc/10/40/87/309104087.db2.gz MCHCLXPUFJVRLT-CYBMUJFWSA-N 2 1 341.293 3.327 20 0 EGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414830429 309104318 /nfs/dbraw/zinc/10/43/18/309104318.db2.gz AZKCUCJJXUFLSM-CHWSQXEVSA-N 2 1 345.409 3.386 20 0 EGADMP COc1sc(C[NH2+]CC2([NH3+])CCCCC2)cc1Br ZINC000414835548 309104682 /nfs/dbraw/zinc/10/46/82/309104682.db2.gz DGBXBYGGZUXKFM-UHFFFAOYSA-N 2 1 333.295 3.270 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000310058375 308763514 /nfs/dbraw/zinc/76/35/14/308763514.db2.gz TUAAWHHDSKYGTC-IRXDYDNUSA-N 2 1 339.524 3.286 20 0 EGADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000414845851 309105127 /nfs/dbraw/zinc/10/51/27/309105127.db2.gz TVXLNNIZRHJMTI-CYBMUJFWSA-N 2 1 334.895 3.147 20 0 EGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390423887 308900929 /nfs/dbraw/zinc/90/09/29/308900929.db2.gz SYOQKTWUMPWAJO-PXNSSMCTSA-N 2 1 326.488 3.332 20 0 EGADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413166325 309019186 /nfs/dbraw/zinc/01/91/86/309019186.db2.gz KFEKTOKKVBZZLD-PMACEKPBSA-N 2 1 341.499 3.029 20 0 EGADMP FC(F)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414908773 309108616 /nfs/dbraw/zinc/10/86/16/309108616.db2.gz CYRMFIPGXGHAFZ-GFCCVEGCSA-N 2 1 349.219 3.282 20 0 EGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c1C ZINC000414928505 309109547 /nfs/dbraw/zinc/10/95/47/309109547.db2.gz NIYIJPHIQDDAAH-CRAIPNDOSA-N 2 1 331.504 3.388 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCC[C@@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000414982049 309112794 /nfs/dbraw/zinc/11/27/94/309112794.db2.gz YEZASUOQTCXKLM-TUFLPTIASA-N 3 1 327.516 3.019 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000415010038 309114079 /nfs/dbraw/zinc/11/40/79/309114079.db2.gz URXZVRVCTCBCKK-OWBSXZKWSA-N 3 1 327.516 3.289 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000415010038 309114080 /nfs/dbraw/zinc/11/40/80/309114080.db2.gz URXZVRVCTCBCKK-OWBSXZKWSA-N 2 1 327.516 3.289 20 0 EGADMP Cc1nc(COc2ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc2)cs1 ZINC000415054775 309117000 /nfs/dbraw/zinc/11/70/00/309117000.db2.gz MTNAILXYVQHTPL-QGZVFWFLSA-N 2 1 333.501 3.494 20 0 EGADMP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000415070291 309118162 /nfs/dbraw/zinc/11/81/62/309118162.db2.gz QMYWYWAOOHZULP-KRWDZBQOSA-N 2 1 338.879 3.130 20 0 EGADMP COc1ccc(OCC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415088326 309119484 /nfs/dbraw/zinc/11/94/84/309119484.db2.gz LSIGIXYILXFVBJ-XLIONFOSSA-N 2 1 326.440 3.157 20 0 EGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3c(F)cccc3Cl)CC2)C1 ZINC000415118468 309121618 /nfs/dbraw/zinc/12/16/18/309121618.db2.gz DHIVJWMWIKVXQY-DYVFJYSZSA-N 2 1 326.843 3.197 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415129363 309122554 /nfs/dbraw/zinc/12/25/54/309122554.db2.gz PHCOOGAMLOFAGP-XJKSGUPXSA-N 2 1 330.451 3.045 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(C[NH2+]C)c2)C1 ZINC000415922831 309148812 /nfs/dbraw/zinc/14/88/12/309148812.db2.gz UUPLCBNJLKKIFB-MRXNPFEDSA-N 2 1 346.519 3.428 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415923970 309148951 /nfs/dbraw/zinc/14/89/51/309148951.db2.gz XIWMHVOLVGAAEK-SFHVURJKSA-N 2 1 332.492 3.182 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000416153832 309161124 /nfs/dbraw/zinc/16/11/24/309161124.db2.gz GBTWHJQVPKYYPX-WDSOQIARSA-N 2 1 331.504 3.011 20 0 EGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCOCC3CCC3)CC2)C[C@H](C)O1 ZINC000419222787 309261652 /nfs/dbraw/zinc/26/16/52/309261652.db2.gz XNVRHIWQDKDRFE-HDICACEKSA-N 2 1 338.536 3.014 20 0 EGADMP Brc1ccc2[nH+]ccc(N3CC[C@H]4C[NH2+]C[C@@H]4C3)c2c1 ZINC000420252766 309278153 /nfs/dbraw/zinc/27/81/53/309278153.db2.gz BUORJZAVZIQSGP-NWDGAFQWSA-N 2 1 332.245 3.043 20 0 EGADMP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@@H]1CC[NH2+]C1 ZINC000420298437 309280271 /nfs/dbraw/zinc/28/02/71/309280271.db2.gz FHJXMYBTWSGLAX-HNNXBMFYSA-N 2 1 330.451 3.080 20 0 EGADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420302999 309280495 /nfs/dbraw/zinc/28/04/95/309280495.db2.gz KFEYYMPDQUROHY-MNEFBYGVSA-N 2 1 338.451 3.357 20 0 EGADMP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420311782 309281240 /nfs/dbraw/zinc/28/12/40/309281240.db2.gz HTGRTGBWEOITBD-MJGOQNOKSA-N 2 1 347.462 3.333 20 0 EGADMP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420311782 309281241 /nfs/dbraw/zinc/28/12/41/309281241.db2.gz HTGRTGBWEOITBD-MJGOQNOKSA-N 2 1 347.462 3.333 20 0 EGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC000420316728 309281484 /nfs/dbraw/zinc/28/14/84/309281484.db2.gz NNSVDAIZFJLQFM-LJQANCHMSA-N 2 1 325.456 3.364 20 0 EGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC000420316728 309281485 /nfs/dbraw/zinc/28/14/85/309281485.db2.gz NNSVDAIZFJLQFM-LJQANCHMSA-N 2 1 325.456 3.364 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000420319253 309281828 /nfs/dbraw/zinc/28/18/28/309281828.db2.gz OZMXCGOTNZXPQJ-KBPBESRZSA-N 2 1 330.863 3.275 20 0 EGADMP CC[N@@H+](Cc1ccc2oc(C(=O)OC)cc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000420319599 309281837 /nfs/dbraw/zinc/28/18/37/309281837.db2.gz XWRVJBCWGLKOBF-MRXNPFEDSA-N 2 1 330.428 3.183 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420326056 309282269 /nfs/dbraw/zinc/28/22/69/309282269.db2.gz WYYADTLXCQXWEM-HXUWFJFHSA-N 3 1 347.547 3.181 20 0 EGADMP CCCC[N@H+](C)CC1CCN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420326056 309282270 /nfs/dbraw/zinc/28/22/70/309282270.db2.gz WYYADTLXCQXWEM-HXUWFJFHSA-N 2 1 347.547 3.181 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420326056 309282271 /nfs/dbraw/zinc/28/22/71/309282271.db2.gz WYYADTLXCQXWEM-HXUWFJFHSA-N 2 1 347.547 3.181 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](CN)c2ccc(OC)cc2)CC1 ZINC000420326056 309282272 /nfs/dbraw/zinc/28/22/72/309282272.db2.gz WYYADTLXCQXWEM-HXUWFJFHSA-N 2 1 347.547 3.181 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](CN)c2ccc(OC)cc2)CC1 ZINC000420326056 309282273 /nfs/dbraw/zinc/28/22/73/309282273.db2.gz WYYADTLXCQXWEM-HXUWFJFHSA-N 2 1 347.547 3.181 20 0 EGADMP Fc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420329793 309282522 /nfs/dbraw/zinc/28/25/22/309282522.db2.gz OZEXTNAGLONHSI-KBPBESRZSA-N 2 1 341.268 3.410 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336091 309282971 /nfs/dbraw/zinc/28/29/71/309282971.db2.gz ILQAJRXVEWPGPZ-ARFHVFGLSA-N 2 1 349.906 3.297 20 0 EGADMP Clc1ccc(Cl)c(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420346627 309283689 /nfs/dbraw/zinc/28/36/89/309283689.db2.gz WXOSWMKIYLUAPK-BETUJISGSA-N 2 1 329.271 3.304 20 0 EGADMP CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420344932 309283340 /nfs/dbraw/zinc/28/33/40/309283340.db2.gz VAZNIAFEJYRDOX-ROUUACIJSA-N 2 1 329.488 3.070 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344706 309283397 /nfs/dbraw/zinc/28/33/97/309283397.db2.gz UIUHQRYJRHUQOF-KURKYZTESA-N 2 1 343.515 3.377 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420344041 309283528 /nfs/dbraw/zinc/28/35/28/309283528.db2.gz RUODCXOQDGQSIN-GBESFXJTSA-N 2 1 343.515 3.260 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000420361947 309284190 /nfs/dbraw/zinc/28/41/90/309284190.db2.gz NUJJRBCBEIGDLM-AZUAARDMSA-N 2 1 339.483 3.314 20 0 EGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(F)cc1Br ZINC000420368638 309284471 /nfs/dbraw/zinc/28/44/71/309284471.db2.gz IBAVXGXAASIRAW-UHFFFAOYSA-N 2 1 329.257 3.410 20 0 EGADMP FC(F)(F)c1ccc([C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420372135 309284713 /nfs/dbraw/zinc/28/47/13/309284713.db2.gz LDKBVKGXGXWUNR-CJNGLKHVSA-N 2 1 328.378 3.078 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000420419812 309287054 /nfs/dbraw/zinc/28/70/54/309287054.db2.gz XUDMHJALZVKVEJ-QFBILLFUSA-N 2 1 337.467 3.356 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000420419812 309287055 /nfs/dbraw/zinc/28/70/55/309287055.db2.gz XUDMHJALZVKVEJ-QFBILLFUSA-N 2 1 337.467 3.356 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1 ZINC000420413098 309287157 /nfs/dbraw/zinc/28/71/57/309287157.db2.gz ZRAGIXFKUYRUTB-RHSMWYFYSA-N 2 1 335.879 3.133 20 0 EGADMP c1ccc(C[C@H]2CC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420902941 309300002 /nfs/dbraw/zinc/30/00/02/309300002.db2.gz AJKMEJCSMMVNDG-JOCHJYFZSA-N 2 1 336.479 3.336 20 0 EGADMP c1ccc(C[C@H]2CC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420902941 309300003 /nfs/dbraw/zinc/30/00/03/309300003.db2.gz AJKMEJCSMMVNDG-JOCHJYFZSA-N 2 1 336.479 3.336 20 0 EGADMP CCSCC[C@@H](C)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420945223 309303343 /nfs/dbraw/zinc/30/33/43/309303343.db2.gz YRQLEHCBUTXSRX-QGZVFWFLSA-N 2 1 336.545 3.482 20 0 EGADMP CCSCC[C@@H](C)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420945223 309303344 /nfs/dbraw/zinc/30/33/44/309303344.db2.gz YRQLEHCBUTXSRX-QGZVFWFLSA-N 2 1 336.545 3.482 20 0 EGADMP CCc1cnccc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420950657 309303549 /nfs/dbraw/zinc/30/35/49/309303549.db2.gz RQXVUQLIZWAYLN-KRWDZBQOSA-N 2 1 339.483 3.327 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CCC[NH+]2C)cc1 ZINC000421702078 309335424 /nfs/dbraw/zinc/33/54/24/309335424.db2.gz JHCYAIOSWJOFAN-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000421702078 309335425 /nfs/dbraw/zinc/33/54/25/309335425.db2.gz JHCYAIOSWJOFAN-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000421702078 309335426 /nfs/dbraw/zinc/33/54/26/309335426.db2.gz JHCYAIOSWJOFAN-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000423259970 309392765 /nfs/dbraw/zinc/39/27/65/309392765.db2.gz GHYFRTXFKLTQGX-FZMZJTMJSA-N 2 1 331.273 3.482 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422558914 309361489 /nfs/dbraw/zinc/36/14/89/309361489.db2.gz BGTCPGIGVVTXBE-LZWOXQAQSA-N 2 1 330.451 3.125 20 0 EGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(SC)cc1OC ZINC000422559999 309361641 /nfs/dbraw/zinc/36/16/41/309361641.db2.gz FPZNAHLMMNKINE-IPYPFGDCSA-N 2 1 338.517 3.231 20 0 EGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422716168 309364554 /nfs/dbraw/zinc/36/45/54/309364554.db2.gz MZLXWVJFQWHWGK-SJORKVTESA-N 2 1 327.428 3.282 20 0 EGADMP CCc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000422730821 309365493 /nfs/dbraw/zinc/36/54/93/309365493.db2.gz KLWMMURLPKHDJW-BQJUDKOJSA-N 2 1 329.532 3.362 20 0 EGADMP C[C@@H]([NH2+]CCCc1ccc(Br)cc1F)[C@@H]1CCC[NH2+]1 ZINC000422750843 309366498 /nfs/dbraw/zinc/36/64/98/309366498.db2.gz ALUNBEMJASORGJ-ABAIWWIYSA-N 2 1 329.257 3.251 20 0 EGADMP C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)c1c[nH+]ccc1N ZINC000422766041 309367146 /nfs/dbraw/zinc/36/71/46/309367146.db2.gz RIMVVHFSTXVWQZ-AWEZNQCLSA-N 2 1 329.419 3.032 20 0 EGADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)[nH+]1 ZINC000422770054 309367459 /nfs/dbraw/zinc/36/74/59/309367459.db2.gz WHHWGLPPKNFRKT-HSALFYBXSA-N 3 1 342.531 3.259 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)cc1 ZINC000422773294 309367467 /nfs/dbraw/zinc/36/74/67/309367467.db2.gz ZSFUKNWWPYTSKG-BHIFYINESA-N 2 1 335.495 3.344 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422774357 309367808 /nfs/dbraw/zinc/36/78/08/309367808.db2.gz WSEXBURWTUTDRE-QFUCXCTJSA-N 2 1 343.515 3.096 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422774357 309367809 /nfs/dbraw/zinc/36/78/09/309367809.db2.gz WSEXBURWTUTDRE-QFUCXCTJSA-N 3 1 343.515 3.096 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422774357 309367810 /nfs/dbraw/zinc/36/78/10/309367810.db2.gz WSEXBURWTUTDRE-QFUCXCTJSA-N 3 1 343.515 3.096 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CCC(C)CC1 ZINC000422843947 309371660 /nfs/dbraw/zinc/37/16/60/309371660.db2.gz KEKRLSQUPWBFLO-UZLBHIALSA-N 2 1 332.536 3.256 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(OCC2CC2)c1 ZINC000422870240 309372928 /nfs/dbraw/zinc/37/29/28/309372928.db2.gz XFNRSEVONLPXBA-SLFFLAALSA-N 2 1 344.499 3.031 20 0 EGADMP CCCOc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422872287 309373022 /nfs/dbraw/zinc/37/30/22/309373022.db2.gz GMTYGZNJJOMRAU-GUDVDZBRSA-N 2 1 332.488 3.031 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000422895395 309374853 /nfs/dbraw/zinc/37/48/53/309374853.db2.gz VWDSSMOHXLVQMZ-HCXYKTFWSA-N 3 1 329.532 3.252 20 0 EGADMP C[C@@H](NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000422895395 309374854 /nfs/dbraw/zinc/37/48/54/309374854.db2.gz VWDSSMOHXLVQMZ-HCXYKTFWSA-N 2 1 329.532 3.252 20 0 EGADMP C[C@@H](NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000422895395 309374855 /nfs/dbraw/zinc/37/48/55/309374855.db2.gz VWDSSMOHXLVQMZ-HCXYKTFWSA-N 2 1 329.532 3.252 20 0 EGADMP CC(C)CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422941874 309377383 /nfs/dbraw/zinc/37/73/83/309377383.db2.gz VVJXYHNYCCJWKO-SLFFLAALSA-N 2 1 346.515 3.358 20 0 EGADMP CC[C@H]([NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000422950512 309377706 /nfs/dbraw/zinc/37/77/06/309377706.db2.gz WESYSVVWOLMNMD-AYOQOUSVSA-N 2 1 340.467 3.457 20 0 EGADMP COCCNc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422967993 309378734 /nfs/dbraw/zinc/37/87/34/309378734.db2.gz QEUYZQZUSYZZLR-LEWJYISDSA-N 2 1 339.483 3.328 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000422982151 309379484 /nfs/dbraw/zinc/37/94/84/309379484.db2.gz VSEPITJLUPZZEJ-SJLPKXTDSA-N 2 1 347.503 3.040 20 0 EGADMP C[C@H](NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022488 309381578 /nfs/dbraw/zinc/38/15/78/309381578.db2.gz HTBKJNOQPHJDDH-ZUXXIDCJSA-N 2 1 339.886 3.202 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022488 309381580 /nfs/dbraw/zinc/38/15/80/309381580.db2.gz HTBKJNOQPHJDDH-ZUXXIDCJSA-N 2 1 339.886 3.202 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000423056569 309383567 /nfs/dbraw/zinc/38/35/67/309383567.db2.gz YMROWHIUHZLMMA-COXVUDFISA-N 2 1 343.437 3.286 20 0 EGADMP Fc1ccc(CCCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423062560 309383852 /nfs/dbraw/zinc/38/38/52/309383852.db2.gz NCZTWIXRTPDSQI-AQNXPRMDSA-N 2 1 334.479 3.285 20 0 EGADMP CCn1ccnc1[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)C1CCOCC1 ZINC000423112102 309386457 /nfs/dbraw/zinc/38/64/57/309386457.db2.gz XBVHSMWTDMLOIG-YTQUADARSA-N 2 1 348.535 3.271 20 0 EGADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423114799 309386751 /nfs/dbraw/zinc/38/67/51/309386751.db2.gz WMCRPHCLCZBJJV-YPMHNXCESA-N 2 1 332.366 3.072 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000423135360 309387906 /nfs/dbraw/zinc/38/79/06/309387906.db2.gz NWEGJIWOGDAAJH-LRDDRELGSA-N 2 1 338.373 3.475 20 0 EGADMP CC[C@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)[C@@H]1CCC[NH2+]1 ZINC000423137773 309388047 /nfs/dbraw/zinc/38/80/47/309388047.db2.gz RMQSAEYMWDYUNI-IRXDYDNUSA-N 2 1 334.533 3.174 20 0 EGADMP C[C@@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423142734 309388086 /nfs/dbraw/zinc/38/80/86/309388086.db2.gz VRLYTEUUSZSCPS-HLAWJBBLSA-N 2 1 329.532 3.409 20 0 EGADMP Fc1cccc(-n2cccn2)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423154263 309388525 /nfs/dbraw/zinc/38/85/25/309388525.db2.gz JEAVANADUOTATA-FHLIZLRMSA-N 2 1 328.435 3.022 20 0 EGADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cnn1-c1cccc(Cl)c1 ZINC000423211247 309390418 /nfs/dbraw/zinc/39/04/18/309390418.db2.gz KREDHFFDGBMQMY-UKRRQHHQSA-N 2 1 332.879 3.484 20 0 EGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2c1cc(Br)cc2Cl)C1CC1 ZINC000423271926 309393308 /nfs/dbraw/zinc/39/33/08/309393308.db2.gz HROBLZDQAKIDRS-KGLIPLIRSA-N 2 1 329.669 3.417 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]1 ZINC000423387608 309398136 /nfs/dbraw/zinc/39/81/36/309398136.db2.gz SOXZBLJLSBZNRM-LELZANKISA-N 2 1 327.516 3.017 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]1 ZINC000423387608 309398137 /nfs/dbraw/zinc/39/81/37/309398137.db2.gz SOXZBLJLSBZNRM-LELZANKISA-N 3 1 327.516 3.017 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]1 ZINC000423387608 309398138 /nfs/dbraw/zinc/39/81/38/309398138.db2.gz SOXZBLJLSBZNRM-LELZANKISA-N 3 1 327.516 3.017 20 0 EGADMP COC(=O)c1cnc([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)s1 ZINC000423501405 309403416 /nfs/dbraw/zinc/40/34/16/309403416.db2.gz CSNRVODWQSGXSM-TZMCWYRMSA-N 2 1 333.457 3.061 20 0 EGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2cc(Br)ccc2C1)C1CCCC1 ZINC000423525016 309404882 /nfs/dbraw/zinc/40/48/82/309404882.db2.gz JYXLQHZPUJRXDY-IAGOWNOFSA-N 2 1 337.305 3.414 20 0 EGADMP Cc1[nH+]ccn1CCCN(C)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424171545 309431776 /nfs/dbraw/zinc/43/17/76/309431776.db2.gz MCWFVWHOWXQBON-GOSISDBHSA-N 2 1 334.508 3.118 20 0 EGADMP Cc1sc2[nH]c([C@H](C)[NH+]3CCC([C@@H](C)[NH3+])CC3)nc(=O)c2c1C ZINC000430921145 309621066 /nfs/dbraw/zinc/62/10/66/309621066.db2.gz XEZUQCYHFKABQM-MNOVXSKESA-N 2 1 334.489 3.134 20 0 EGADMP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000430940963 309621685 /nfs/dbraw/zinc/62/16/85/309621685.db2.gz SMVOPFMTIHPANF-QWRGUYRKSA-N 2 1 344.286 3.380 20 0 EGADMP Cn1c2cc(F)ccc2[nH+]c1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000431041930 309624112 /nfs/dbraw/zinc/62/41/12/309624112.db2.gz AVOUMFXXJKKYSF-UHFFFAOYSA-N 2 1 338.430 3.342 20 0 EGADMP CCn1nnc(C)c1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000449080846 310035472 /nfs/dbraw/zinc/03/54/72/310035472.db2.gz ZQWNXNBHCCTJPH-INIZCTEOSA-N 2 1 341.503 3.271 20 0 EGADMP COc1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc2ccccc21 ZINC000449150686 310040692 /nfs/dbraw/zinc/04/06/92/310040692.db2.gz SKSSPQONPMMIQL-LJQANCHMSA-N 2 1 342.483 3.175 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449247226 310047356 /nfs/dbraw/zinc/04/73/56/310047356.db2.gz FKXLJQACDAQOEI-UHFFFAOYSA-N 2 1 327.497 3.280 20 0 EGADMP CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000449563914 310072340 /nfs/dbraw/zinc/07/23/40/310072340.db2.gz ZPHMUIMGOVYDFP-QGZVFWFLSA-N 2 1 342.487 3.228 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1)C(C)C ZINC000449704858 310081639 /nfs/dbraw/zinc/08/16/39/310081639.db2.gz IRCPDQPPFCBCCZ-GOSISDBHSA-N 2 1 331.504 3.035 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]C2(Cc3ccccc3)CCOCC2)s1 ZINC000449725354 310082665 /nfs/dbraw/zinc/08/26/65/310082665.db2.gz ZRUHMELMIXHLGK-UHFFFAOYSA-N 2 1 345.512 3.086 20 0 EGADMP CCO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449753533 310084528 /nfs/dbraw/zinc/08/45/28/310084528.db2.gz GQBNGVKMLIPGNV-WOJBJXKFSA-N 2 1 334.479 3.380 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000449778668 310086489 /nfs/dbraw/zinc/08/64/89/310086489.db2.gz SINPMFMPSGPVSN-LJQANCHMSA-N 2 1 345.531 3.077 20 0 EGADMP C[C@H]1C[NH+](CCOC2CC[NH+](CC3=CCCCC3)CC2)C[C@H](C)O1 ZINC000450651923 310135308 /nfs/dbraw/zinc/13/53/08/310135308.db2.gz QAGNXNNBCPPXPB-ROUUACIJSA-N 2 1 336.520 3.077 20 0 EGADMP Nc1ncccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000450655018 310135377 /nfs/dbraw/zinc/13/53/77/310135377.db2.gz XXELANJILWKLOC-UHFFFAOYSA-N 2 1 336.483 3.152 20 0 EGADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451301477 310170441 /nfs/dbraw/zinc/17/04/41/310170441.db2.gz CPSFXCDDZCQBCF-HZPDHXFCSA-N 2 1 330.394 3.203 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451301477 310170442 /nfs/dbraw/zinc/17/04/42/310170442.db2.gz CPSFXCDDZCQBCF-HZPDHXFCSA-N 2 1 330.394 3.203 20 0 EGADMP CC(C)(CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453119217 310259169 /nfs/dbraw/zinc/25/91/69/310259169.db2.gz MBINUWVITYWPCC-AQNXPRMDSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCOC1 ZINC000453134345 310260062 /nfs/dbraw/zinc/26/00/62/310260062.db2.gz ZMYCFXAYRNAUAY-MXEMCNAFSA-N 2 1 328.500 3.446 20 0 EGADMP CCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000453150551 310260972 /nfs/dbraw/zinc/26/09/72/310260972.db2.gz USZHDRGJCVDMNC-NJDAHSKKSA-N 2 1 338.499 3.436 20 0 EGADMP CCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000453150551 310260973 /nfs/dbraw/zinc/26/09/73/310260973.db2.gz USZHDRGJCVDMNC-NJDAHSKKSA-N 2 1 338.499 3.436 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453175782 310262431 /nfs/dbraw/zinc/26/24/31/310262431.db2.gz LSENVFOKCOUVBQ-MOPGFXCFSA-N 2 1 334.891 3.282 20 0 EGADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453184279 310262906 /nfs/dbraw/zinc/26/29/06/310262906.db2.gz UOFSWDDUMRKRCU-KCLUMXDGSA-N 2 1 330.516 3.428 20 0 EGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000453213699 310264468 /nfs/dbraw/zinc/26/44/68/310264468.db2.gz ATWMHXGZTQAXMM-XRXFAXGQSA-N 2 1 328.500 3.444 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000453338946 310271857 /nfs/dbraw/zinc/27/18/57/310271857.db2.gz GCXGPTUPJXLZIA-RVKKMQEKSA-N 2 1 328.460 3.180 20 0 EGADMP C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccc(OCC[NH+](C)C)cc1 ZINC000453349145 310272360 /nfs/dbraw/zinc/27/23/60/310272360.db2.gz JEURMLBAUZHZBD-CQSZACIVSA-N 2 1 329.444 3.343 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455836880 310378854 /nfs/dbraw/zinc/37/88/54/310378854.db2.gz BDTRUPCVLUYGQY-BEFAXECRSA-N 2 1 346.519 3.477 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455836882 310378902 /nfs/dbraw/zinc/37/89/02/310378902.db2.gz BDTRUPCVLUYGQY-DNVCBOLYSA-N 2 1 346.519 3.477 20 0 EGADMP CCCC[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455902902 310381748 /nfs/dbraw/zinc/38/17/48/310381748.db2.gz GNXRIKFSINNLIH-GOSISDBHSA-N 2 1 332.492 3.089 20 0 EGADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(C[NH+](CC)C(C)C)cc1 ZINC000456345858 310399943 /nfs/dbraw/zinc/39/99/43/310399943.db2.gz IFIAIIAWFICGML-HXUWFJFHSA-N 2 1 345.531 3.473 20 0 EGADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000456345858 310399944 /nfs/dbraw/zinc/39/99/44/310399944.db2.gz IFIAIIAWFICGML-HXUWFJFHSA-N 2 1 345.531 3.473 20 0 EGADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000456345858 310399945 /nfs/dbraw/zinc/39/99/45/310399945.db2.gz IFIAIIAWFICGML-HXUWFJFHSA-N 2 1 345.531 3.473 20 0 EGADMP Oc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000463248080 310610483 /nfs/dbraw/zinc/61/04/83/310610483.db2.gz QWNARSRRGKAKHW-FQEVSTJZSA-N 2 1 336.479 3.156 20 0 EGADMP Cc1ccccc1-n1nccc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000474477177 310794499 /nfs/dbraw/zinc/79/44/99/310794499.db2.gz QVOUYWMNIIWBLA-UHFFFAOYSA-N 2 1 326.488 3.391 20 0 EGADMP CC(C)[C@@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000488595589 311072725 /nfs/dbraw/zinc/07/27/25/311072725.db2.gz XSWFUFXIVRMUNA-FQEVSTJZSA-N 2 1 331.548 3.417 20 0 EGADMP CC(C)[C@@H]1CN(CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000488595589 311072727 /nfs/dbraw/zinc/07/27/27/311072727.db2.gz XSWFUFXIVRMUNA-FQEVSTJZSA-N 2 1 331.548 3.417 20 0 EGADMP CC(C)[C@@H]1CN(CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000488595589 311072728 /nfs/dbraw/zinc/07/27/28/311072728.db2.gz XSWFUFXIVRMUNA-FQEVSTJZSA-N 2 1 331.548 3.417 20 0 EGADMP CC1CC[NH+](CCN2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000489886362 311123845 /nfs/dbraw/zinc/12/38/45/311123845.db2.gz MILUIJUACAVZBJ-HXUWFJFHSA-N 2 1 329.532 3.315 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000492786679 311291029 /nfs/dbraw/zinc/29/10/29/311291029.db2.gz ARARIHUQZKDROB-HOTGVXAUSA-N 2 1 336.480 3.007 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ncccc2CC)[C@@H](C)C1 ZINC000507509494 312075506 /nfs/dbraw/zinc/07/55/06/312075506.db2.gz LCIKRYURSZJZJB-SCTDSRPQSA-N 2 1 333.520 3.432 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ncccc2CC)[C@@H](C)C1 ZINC000507509494 312075508 /nfs/dbraw/zinc/07/55/08/312075508.db2.gz LCIKRYURSZJZJB-SCTDSRPQSA-N 2 1 333.520 3.432 20 0 EGADMP CC[C@H](CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000508714054 312100594 /nfs/dbraw/zinc/10/05/94/312100594.db2.gz GUXVYZBBZBOGMO-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP OC[C@H](CC1CCCC1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000510963358 312151779 /nfs/dbraw/zinc/15/17/79/312151779.db2.gz ADQFDJKFRGYJGZ-MYGLTJDJSA-N 2 1 342.527 3.428 20 0 EGADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)c1ccc(F)cc1 ZINC000511633761 312165058 /nfs/dbraw/zinc/16/50/58/312165058.db2.gz HXZNDNHUFDVNKH-MRXNPFEDSA-N 2 1 349.494 3.198 20 0 EGADMP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000512648718 312191059 /nfs/dbraw/zinc/19/10/59/312191059.db2.gz OTPMQOVUVNERCF-CLAROIROSA-N 2 1 341.543 3.361 20 0 EGADMP CC[N@@H+]1CCC[C@H](N[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000512648718 312191062 /nfs/dbraw/zinc/19/10/62/312191062.db2.gz OTPMQOVUVNERCF-CLAROIROSA-N 2 1 341.543 3.361 20 0 EGADMP CC[N@H+]1CCC[C@H](N[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000512648718 312191064 /nfs/dbraw/zinc/19/10/64/312191064.db2.gz OTPMQOVUVNERCF-CLAROIROSA-N 2 1 341.543 3.361 20 0 EGADMP CC[NH+]1CCC[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000512648718 312191067 /nfs/dbraw/zinc/19/10/67/312191067.db2.gz OTPMQOVUVNERCF-CLAROIROSA-N 2 1 341.543 3.361 20 0 EGADMP CC[NH+]1CCC[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000512648718 312191070 /nfs/dbraw/zinc/19/10/70/312191070.db2.gz OTPMQOVUVNERCF-CLAROIROSA-N 2 1 341.543 3.361 20 0 EGADMP C[N@@H+](CCN1CC[NH+](CC2CCCCC2)CC1)Cc1ccccc1 ZINC000513448588 312210681 /nfs/dbraw/zinc/21/06/81/312210681.db2.gz UMAHMVWSYWLFSW-UHFFFAOYSA-N 2 1 329.532 3.316 20 0 EGADMP CCn1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000513500617 312212080 /nfs/dbraw/zinc/21/20/80/312212080.db2.gz NMYCHKXQALOCFO-MJGOQNOKSA-N 2 1 326.488 3.293 20 0 EGADMP Cc1cc(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)nc(C)[nH+]1 ZINC000514528751 312230593 /nfs/dbraw/zinc/23/05/93/312230593.db2.gz JEERXDKLYBOLHD-QGZVFWFLSA-N 2 1 330.863 3.418 20 0 EGADMP CC1(C)CCC[C@]1(O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000517046689 312361078 /nfs/dbraw/zinc/36/10/78/312361078.db2.gz FTBHXLRKVUZVFH-VMBXEPDQSA-N 2 1 342.527 3.428 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1 ZINC000537965935 314220131 /nfs/dbraw/zinc/22/01/31/314220131.db2.gz MKXVAZONEKJYEG-HOTGVXAUSA-N 2 1 328.460 3.143 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccn2)cc1 ZINC000538613606 314258373 /nfs/dbraw/zinc/25/83/73/314258373.db2.gz BRHOQCZDGJCCTK-OAHLLOKOSA-N 2 1 349.438 3.255 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000540606223 314392382 /nfs/dbraw/zinc/39/23/82/314392382.db2.gz HPSQJAAOWDXXGA-AWEZNQCLSA-N 2 1 335.879 3.217 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549115146 315076642 /nfs/dbraw/zinc/07/66/42/315076642.db2.gz DLJWZROEDCGIFY-SFHVURJKSA-N 2 1 346.515 3.466 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549115146 315076644 /nfs/dbraw/zinc/07/66/44/315076644.db2.gz DLJWZROEDCGIFY-SFHVURJKSA-N 2 1 346.515 3.466 20 0 EGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c3ccccc3)C1)C2 ZINC000550994173 315139752 /nfs/dbraw/zinc/13/97/52/315139752.db2.gz JLLKZTMLISZZNJ-ZJOUEHCJSA-N 2 1 336.483 3.067 20 0 EGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c3ccccc3)C1)C2 ZINC000550994173 315139753 /nfs/dbraw/zinc/13/97/53/315139753.db2.gz JLLKZTMLISZZNJ-ZJOUEHCJSA-N 2 1 336.483 3.067 20 0 EGADMP Cc1ccccc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000551090834 315141862 /nfs/dbraw/zinc/14/18/62/315141862.db2.gz WNAMSGUELMVWOH-OAQYLSRUSA-N 2 1 329.532 3.376 20 0 EGADMP C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[NH+]1CC(C)C1 ZINC000553327891 315258025 /nfs/dbraw/zinc/25/80/25/315258025.db2.gz VIVVYTGPDYYLQS-ZWKOTPCHSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000554346932 315311485 /nfs/dbraw/zinc/31/14/85/315311485.db2.gz KMRRGSZMHVBXTF-FZKCQIBNSA-N 2 1 336.442 3.444 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3C[C@@H]4OCCC[C@@H]34)CC23CC3)cc1 ZINC000563810836 316072872 /nfs/dbraw/zinc/07/28/72/316072872.db2.gz VYSMZFONOZFINE-HAGHYFMRSA-N 2 1 326.484 3.341 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3C[C@@H]4OCCC[C@@H]34)CC23CC3)cc1 ZINC000563810836 316072876 /nfs/dbraw/zinc/07/28/76/316072876.db2.gz VYSMZFONOZFINE-HAGHYFMRSA-N 2 1 326.484 3.341 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000564070208 316108538 /nfs/dbraw/zinc/10/85/38/316108538.db2.gz PXIMPWUNAQFMQT-BVOGOJNSSA-N 2 1 329.532 3.215 20 0 EGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000564070208 316108542 /nfs/dbraw/zinc/10/85/42/316108542.db2.gz PXIMPWUNAQFMQT-BVOGOJNSSA-N 2 1 329.532 3.215 20 0 EGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000564070208 316108547 /nfs/dbraw/zinc/10/85/47/316108547.db2.gz PXIMPWUNAQFMQT-BVOGOJNSSA-N 2 1 329.532 3.215 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000564850144 316216972 /nfs/dbraw/zinc/21/69/72/316216972.db2.gz QQSOVHSSRBSDTP-IRLDBZIGSA-N 2 1 338.495 3.058 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000564850144 316216975 /nfs/dbraw/zinc/21/69/75/316216975.db2.gz QQSOVHSSRBSDTP-IRLDBZIGSA-N 2 1 338.495 3.058 20 0 EGADMP c1nn([C@@H]2CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)c2ccccc12 ZINC000565095826 316264576 /nfs/dbraw/zinc/26/45/76/316264576.db2.gz UBZRZLILVHMQLU-HXUWFJFHSA-N 2 1 332.451 3.129 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCCCC3(C)C)CC2)CC1 ZINC000565185583 316285687 /nfs/dbraw/zinc/28/56/87/316285687.db2.gz JNXANEJCJFZTLK-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000565313089 316308101 /nfs/dbraw/zinc/30/81/01/316308101.db2.gz ZQHOAFDNVZKTLA-AEFFLSMTSA-N 2 1 337.467 3.494 20 0 EGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000565313098 316308204 /nfs/dbraw/zinc/30/82/04/316308204.db2.gz ZQHOAFDNVZKTLA-WMZOPIPTSA-N 2 1 337.467 3.494 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000571175380 317162185 /nfs/dbraw/zinc/16/21/85/317162185.db2.gz GKANBNUHKADKDO-ZACQAIPSSA-N 2 1 344.421 3.244 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000571462657 317202743 /nfs/dbraw/zinc/20/27/43/317202743.db2.gz SSNNDAFECXPVHG-LJQANCHMSA-N 2 1 325.456 3.206 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000571462657 317202747 /nfs/dbraw/zinc/20/27/47/317202747.db2.gz SSNNDAFECXPVHG-LJQANCHMSA-N 2 1 325.456 3.206 20 0 EGADMP CC[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccncc1 ZINC000571853206 317256081 /nfs/dbraw/zinc/25/60/81/317256081.db2.gz JUUXZEJRELIOTD-QZTJIDSGSA-N 2 1 344.528 3.173 20 0 EGADMP Fc1ccc(Br)c(F)c1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000230309925 456135285 /nfs/dbraw/zinc/13/52/85/456135285.db2.gz AVTGATRPRLDBCG-WDEREUQCSA-N 2 1 345.231 3.444 20 0 EGADMP CC[C@H](C)C[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000171948319 323263643 /nfs/dbraw/zinc/26/36/43/323263643.db2.gz IQIGTKOFWIAVKW-KRWDZBQOSA-N 2 1 345.531 3.054 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]Cc2cccc(Cl)c2Cl)CC1(C)C ZINC000282210523 456444588 /nfs/dbraw/zinc/44/45/88/456444588.db2.gz DIHSSJANRZTPQA-UHFFFAOYSA-N 2 1 330.303 3.109 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000350609764 324106992 /nfs/dbraw/zinc/10/69/92/324106992.db2.gz WUMSZBZXFSQKKJ-GASCZTMLSA-N 2 1 344.459 3.050 20 0 EGADMP C[C@@H]1CCC[C@@](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)([NH+](C)C)C1 ZINC000396317742 324293814 /nfs/dbraw/zinc/29/38/14/324293814.db2.gz GNKGKQIDNOMJRC-YHNBSYBMSA-N 2 1 336.442 3.323 20 0 EGADMP Cc1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000417948342 324302745 /nfs/dbraw/zinc/30/27/45/324302745.db2.gz HOTVJNUYWCCDRD-MJGOQNOKSA-N 2 1 326.488 3.119 20 0 EGADMP CC(C)CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C(C)(C)C ZINC000578672477 325002612 /nfs/dbraw/zinc/00/26/12/325002612.db2.gz HLLKYXDXTSVJNN-IRXDYDNUSA-N 2 1 325.541 3.014 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1ncc(-c3ccc(F)cc3)o1)CC[NH2+]CC2 ZINC000579462453 325113481 /nfs/dbraw/zinc/11/34/81/325113481.db2.gz YXGZFKZAVIHVCW-AWEZNQCLSA-N 2 1 329.419 3.445 20 0 EGADMP CCC[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000579746927 325154083 /nfs/dbraw/zinc/15/40/83/325154083.db2.gz XGQJWDGRFMRASV-FQEVSTJZSA-N 2 1 345.531 3.231 20 0 EGADMP FC(F)n1c2ccccc2nc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000580895688 325306769 /nfs/dbraw/zinc/30/67/69/325306769.db2.gz MLQPIAMBHYXUMJ-ZIAGYGMSSA-N 2 1 334.414 3.253 20 0 EGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000582235482 325424933 /nfs/dbraw/zinc/42/49/33/325424933.db2.gz QKTBSOBJOUGNNW-ROUUACIJSA-N 2 1 338.455 3.084 20 0 EGADMP CSc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)s1 ZINC000356126929 457468610 /nfs/dbraw/zinc/46/86/10/457468610.db2.gz VKZDXIYSQXLHGF-NWANDNLSSA-N 2 1 326.531 3.154 20 0 EGADMP CSc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)s1 ZINC000356126929 457468628 /nfs/dbraw/zinc/46/86/28/457468628.db2.gz VKZDXIYSQXLHGF-NWANDNLSSA-N 2 1 326.531 3.154 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1cc(Br)cs1 ZINC000404205769 457538829 /nfs/dbraw/zinc/53/88/29/457538829.db2.gz MWMTYHDXWYWNJK-UHFFFAOYSA-N 2 1 328.279 3.309 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1cc(Br)cs1 ZINC000404205769 457538835 /nfs/dbraw/zinc/53/88/35/457538835.db2.gz MWMTYHDXWYWNJK-UHFFFAOYSA-N 2 1 328.279 3.309 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC[N@H+]1C ZINC000180677101 455225782 /nfs/dbraw/zinc/22/57/82/455225782.db2.gz VHWDESUEYUTBFL-HZPDHXFCSA-N 2 1 336.907 3.461 20 0 EGADMP OCCCCCC[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000183156874 455241126 /nfs/dbraw/zinc/24/11/26/455241126.db2.gz YIPJPIDFGNKIBG-HBMCJLEFSA-N 2 1 330.516 3.429 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc(Cl)c1OC ZINC000442920378 459061383 /nfs/dbraw/zinc/06/13/83/459061383.db2.gz LCOKQTZZUBRNIM-CYBMUJFWSA-N 2 1 326.868 3.308 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2sc(C)nc2C)[C@H](C)C1 ZINC000157931772 455250685 /nfs/dbraw/zinc/25/06/85/455250685.db2.gz BCHDKKBFWXNJCE-RHSMWYFYSA-N 2 1 339.549 3.029 20 0 EGADMP Cn1ccnc1[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000183262886 455264199 /nfs/dbraw/zinc/26/41/99/455264199.db2.gz VNFORPRAHYPQDY-YJBOKZPZSA-N 2 1 344.528 3.435 20 0 EGADMP Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000183262886 455264205 /nfs/dbraw/zinc/26/42/05/455264205.db2.gz VNFORPRAHYPQDY-YJBOKZPZSA-N 2 1 344.528 3.435 20 0 EGADMP CCN1CCC([N@@H+](C)CCCc2nc(-c3ccccc3)no2)CC1 ZINC000158879077 455334954 /nfs/dbraw/zinc/33/49/54/455334954.db2.gz BMQSLIZZLGSCRW-UHFFFAOYSA-N 2 1 328.460 3.085 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)CCCc2nc(-c3ccccc3)no2)CC1 ZINC000158879077 455334968 /nfs/dbraw/zinc/33/49/68/455334968.db2.gz BMQSLIZZLGSCRW-UHFFFAOYSA-N 2 1 328.460 3.085 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000631841481 460579719 /nfs/dbraw/zinc/57/97/19/460579719.db2.gz LAGZGEGHWBKULP-SJLPKXTDSA-N 2 1 337.467 3.209 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCSCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000600778198 460599923 /nfs/dbraw/zinc/59/99/23/460599923.db2.gz WRLBVNRJGXODSE-CABCVRRESA-N 2 1 332.435 3.379 20 0 EGADMP COc1cc(N[C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)cc(OC)c1 ZINC000245733630 455367781 /nfs/dbraw/zinc/36/77/81/455367781.db2.gz WJDQJWDJBUVHCO-SJLPKXTDSA-N 2 1 347.503 3.064 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCS[C@@H]2COCC[C@H]21 ZINC000245754000 455374059 /nfs/dbraw/zinc/37/40/59/455374059.db2.gz HJAPJWBWUJWWCB-RTBURBONSA-N 2 1 348.556 3.351 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCS[C@@H]2COCC[C@H]21 ZINC000245754000 455374063 /nfs/dbraw/zinc/37/40/63/455374063.db2.gz HJAPJWBWUJWWCB-RTBURBONSA-N 2 1 348.556 3.351 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000245754000 455374067 /nfs/dbraw/zinc/37/40/67/455374067.db2.gz HJAPJWBWUJWWCB-RTBURBONSA-N 2 1 348.556 3.351 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000245754000 455374070 /nfs/dbraw/zinc/37/40/70/455374070.db2.gz HJAPJWBWUJWWCB-RTBURBONSA-N 2 1 348.556 3.351 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000081631214 453898267 /nfs/dbraw/zinc/89/82/67/453898267.db2.gz GBFZBOBPPFJWDH-INIZCTEOSA-N 2 1 349.906 3.332 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000081631214 453898271 /nfs/dbraw/zinc/89/82/71/453898271.db2.gz GBFZBOBPPFJWDH-INIZCTEOSA-N 2 1 349.906 3.332 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000081631214 453898275 /nfs/dbraw/zinc/89/82/75/453898275.db2.gz GBFZBOBPPFJWDH-INIZCTEOSA-N 2 1 349.906 3.332 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000076000989 453948007 /nfs/dbraw/zinc/94/80/07/453948007.db2.gz WHZIBEMEMLZOID-OAHLLOKOSA-N 2 1 337.895 3.332 20 0 EGADMP C[N@H+](C[C@H](O)c1ccccc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110008 453965300 /nfs/dbraw/zinc/96/53/00/453965300.db2.gz RXORDKFMAWEQNX-RXVVDRJESA-N 2 1 342.458 3.313 20 0 EGADMP C[N@@H+](C[C@H](O)c1ccccc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110008 453965303 /nfs/dbraw/zinc/96/53/03/453965303.db2.gz RXORDKFMAWEQNX-RXVVDRJESA-N 2 1 342.458 3.313 20 0 EGADMP C[NH+](C[C@H](O)c1ccccc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110008 453965306 /nfs/dbraw/zinc/96/53/06/453965306.db2.gz RXORDKFMAWEQNX-RXVVDRJESA-N 2 1 342.458 3.313 20 0 EGADMP C[NH+](C[C@H](O)c1ccccc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110008 453965308 /nfs/dbraw/zinc/96/53/08/453965308.db2.gz RXORDKFMAWEQNX-RXVVDRJESA-N 2 1 342.458 3.313 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522364 454064615 /nfs/dbraw/zinc/06/46/15/454064615.db2.gz UHQYUJXGVFQCSJ-UHFFFAOYSA-N 2 1 337.895 3.251 20 0 EGADMP COc1ccc(Br)cc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000057994015 454160284 /nfs/dbraw/zinc/16/02/84/454160284.db2.gz SVVZKWHKOJWJDT-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[N@H+](CC)C[C@@H]3C)cc2)n1 ZINC000089551230 454161525 /nfs/dbraw/zinc/16/15/25/454161525.db2.gz SIMAPUYVPYPWLV-MAUKXSAKSA-N 2 1 342.487 3.161 20 0 EGADMP C[NH2+]CCC1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000070189634 454167312 /nfs/dbraw/zinc/16/73/12/454167312.db2.gz BZNFCOLXFUPFJY-UHFFFAOYSA-N 2 1 329.257 3.410 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000130383034 454193629 /nfs/dbraw/zinc/19/36/29/454193629.db2.gz JQKVLKWNMOYWGM-HXUWFJFHSA-N 2 1 342.487 3.027 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000130383034 454193631 /nfs/dbraw/zinc/19/36/31/454193631.db2.gz JQKVLKWNMOYWGM-HXUWFJFHSA-N 2 1 342.487 3.027 20 0 EGADMP Brc1ccc2[nH+]ccc(N3CC[C@@H]([NH+]4CC=CC4)C3)c2c1 ZINC000266237824 455425996 /nfs/dbraw/zinc/42/59/96/455425996.db2.gz KUKSLAWDGYOLNV-CQSZACIVSA-N 2 1 344.256 3.448 20 0 EGADMP CCC[C@@H](NC(=O)C[N@H+](C)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000130475855 454200616 /nfs/dbraw/zinc/20/06/16/454200616.db2.gz FLQSVMSQQWQNHE-LJQANCHMSA-N 2 1 342.487 3.171 20 0 EGADMP CCC[C@@H](NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000130475855 454200617 /nfs/dbraw/zinc/20/06/17/454200617.db2.gz FLQSVMSQQWQNHE-LJQANCHMSA-N 2 1 342.487 3.171 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000130721419 454214422 /nfs/dbraw/zinc/21/44/22/454214422.db2.gz WVTUTAJPTSFDIT-SJORKVTESA-N 2 1 342.487 3.088 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000130721419 454214425 /nfs/dbraw/zinc/21/44/25/454214425.db2.gz WVTUTAJPTSFDIT-SJORKVTESA-N 2 1 342.487 3.088 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cnn(C(C)C)c3)CC2)nc(C)[nH+]1 ZINC000095968995 454243742 /nfs/dbraw/zinc/24/37/42/454243742.db2.gz UMKJAMUYUIGLND-HNNXBMFYSA-N 2 1 342.491 3.190 20 0 EGADMP COc1cc2c(cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)O[C@H](C)C2 ZINC000061003199 454324151 /nfs/dbraw/zinc/32/41/51/454324151.db2.gz OATCAJQTGRNRNF-CYBMUJFWSA-N 2 1 332.488 3.417 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C3CC[NH+](C(C)C)CC3)c2C1 ZINC000073308800 454418862 /nfs/dbraw/zinc/41/88/62/454418862.db2.gz BCJIRZHXXHAQHY-UHFFFAOYSA-N 2 1 329.488 3.471 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)C3CC[NH+](C(C)C)CC3)c2C1 ZINC000073308800 454418866 /nfs/dbraw/zinc/41/88/66/454418866.db2.gz BCJIRZHXXHAQHY-UHFFFAOYSA-N 2 1 329.488 3.471 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccccc1C ZINC000121424819 454434670 /nfs/dbraw/zinc/43/46/70/454434670.db2.gz FITQDIOHEUWPTQ-GDBMZVCRSA-N 2 1 328.460 3.143 20 0 EGADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073887495 454497487 /nfs/dbraw/zinc/49/74/87/454497487.db2.gz XVKXCXXZICSMMG-LJQANCHMSA-N 2 1 338.455 3.237 20 0 EGADMP Fc1ccc(Cl)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134116280 454504540 /nfs/dbraw/zinc/50/45/40/454504540.db2.gz CQWPAOSMERWQKO-UHFFFAOYSA-N 2 1 326.843 3.023 20 0 EGADMP COc1nc2ccccc2cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043247 454507564 /nfs/dbraw/zinc/50/75/64/454507564.db2.gz AENVRWFQBPRLIP-APWZRJJASA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043247 454507570 /nfs/dbraw/zinc/50/75/70/454507570.db2.gz AENVRWFQBPRLIP-APWZRJJASA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043247 454507577 /nfs/dbraw/zinc/50/75/77/454507577.db2.gz AENVRWFQBPRLIP-APWZRJJASA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043247 454507582 /nfs/dbraw/zinc/50/75/82/454507582.db2.gz AENVRWFQBPRLIP-APWZRJJASA-N 2 1 325.456 3.160 20 0 EGADMP CC[C@@]1(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CCC[NH2+]1 ZINC000134563844 454561026 /nfs/dbraw/zinc/56/10/26/454561026.db2.gz KIFPGSFTLLZYQS-UWJYYQICSA-N 2 1 343.515 3.209 20 0 EGADMP C[NH2+]Cc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000122743465 454565093 /nfs/dbraw/zinc/56/50/93/454565093.db2.gz ONDRZXUEWUFBJV-IBGZPJMESA-N 2 1 337.467 3.257 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092566411 454586587 /nfs/dbraw/zinc/58/65/87/454586587.db2.gz GUUQQAXBADBPPF-UHFFFAOYSA-N 2 1 335.492 3.462 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(F)cn3)CC2)oc1C ZINC000092748582 454624716 /nfs/dbraw/zinc/62/47/16/454624716.db2.gz VSGKDTZJRNVRHD-AWEZNQCLSA-N 2 1 346.450 3.388 20 0 EGADMP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000066047640 454654490 /nfs/dbraw/zinc/65/44/90/454654490.db2.gz VFOBBCXIYLYIDS-LJQANCHMSA-N 2 1 331.504 3.012 20 0 EGADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000066047640 454654494 /nfs/dbraw/zinc/65/44/94/454654494.db2.gz VFOBBCXIYLYIDS-LJQANCHMSA-N 2 1 331.504 3.012 20 0 EGADMP C[N@@H+](CCCn1ccnc1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000124439845 454733553 /nfs/dbraw/zinc/73/35/53/454733553.db2.gz AKDRUKROZZMVJR-UHFFFAOYSA-N 2 1 341.242 3.151 20 0 EGADMP CN(CCCn1ccnc1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000124439845 454733555 /nfs/dbraw/zinc/73/35/55/454733555.db2.gz AKDRUKROZZMVJR-UHFFFAOYSA-N 2 1 341.242 3.151 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2ccccc21 ZINC000124488293 454739760 /nfs/dbraw/zinc/73/97/60/454739760.db2.gz XXPVMCGWWGOBJW-DYESRHJHSA-N 2 1 329.532 3.488 20 0 EGADMP Fc1cccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1F ZINC000635009992 460652347 /nfs/dbraw/zinc/65/23/47/460652347.db2.gz PNRPNPHPDWKMCE-VQIMIIECSA-N 2 1 330.378 3.310 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000635011581 460653342 /nfs/dbraw/zinc/65/33/42/460653342.db2.gz QYJLOGVNFWHAJC-XMSQKQJNSA-N 3 1 349.522 3.475 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000635011581 460653348 /nfs/dbraw/zinc/65/33/48/460653348.db2.gz QYJLOGVNFWHAJC-XMSQKQJNSA-N 3 1 349.522 3.475 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCc3ccccc3F)CC2)C[C@H](C)O1 ZINC000137578296 454781667 /nfs/dbraw/zinc/78/16/67/454781667.db2.gz MWCJAPRRHXATJR-CALCHBBNSA-N 2 1 334.479 3.189 20 0 EGADMP CCOc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000137727606 454784792 /nfs/dbraw/zinc/78/47/92/454784792.db2.gz GGTAFPDEKXXBKN-KRWDZBQOSA-N 2 1 347.503 3.078 20 0 EGADMP CCN(C[C@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C1)CC(F)(F)F ZINC000124945842 454785388 /nfs/dbraw/zinc/78/53/88/454785388.db2.gz JSPCMWVTUMYGMF-MRXNPFEDSA-N 2 1 346.441 3.178 20 0 EGADMP CCN(C[C@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C1)CC(F)(F)F ZINC000124945842 454785391 /nfs/dbraw/zinc/78/53/91/454785391.db2.gz JSPCMWVTUMYGMF-MRXNPFEDSA-N 2 1 346.441 3.178 20 0 EGADMP COc1ccccc1[C@H](CN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCCC1 ZINC000153367189 454786865 /nfs/dbraw/zinc/78/68/65/454786865.db2.gz OCAPAWGROOCEQG-JYBIWHBTSA-N 2 1 345.531 3.150 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCCC1 ZINC000153367189 454786868 /nfs/dbraw/zinc/78/68/68/454786868.db2.gz OCAPAWGROOCEQG-JYBIWHBTSA-N 2 1 345.531 3.150 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCCC1 ZINC000153367189 454786870 /nfs/dbraw/zinc/78/68/70/454786870.db2.gz OCAPAWGROOCEQG-JYBIWHBTSA-N 2 1 345.531 3.150 20 0 EGADMP Cc1ccc2c(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc(=O)oc2c1C ZINC000139820083 454812016 /nfs/dbraw/zinc/81/20/16/454812016.db2.gz KXEJPTVMKOEFCD-VQIMIIECSA-N 2 1 340.467 3.326 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc(=O)oc2c1C ZINC000139820083 454812017 /nfs/dbraw/zinc/81/20/17/454812017.db2.gz KXEJPTVMKOEFCD-VQIMIIECSA-N 2 1 340.467 3.326 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc(=O)oc2c1C ZINC000139820083 454812018 /nfs/dbraw/zinc/81/20/18/454812018.db2.gz KXEJPTVMKOEFCD-VQIMIIECSA-N 2 1 340.467 3.326 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc(=O)oc2c1C ZINC000139820083 454812021 /nfs/dbraw/zinc/81/20/21/454812021.db2.gz KXEJPTVMKOEFCD-VQIMIIECSA-N 2 1 340.467 3.326 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc(=O)oc2c1C ZINC000139820083 454812024 /nfs/dbraw/zinc/81/20/24/454812024.db2.gz KXEJPTVMKOEFCD-VQIMIIECSA-N 2 1 340.467 3.326 20 0 EGADMP CC(C)(C)OC(=O)CCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000182226212 455465667 /nfs/dbraw/zinc/46/56/67/455465667.db2.gz QEMLVPMHQPRABV-SJLPKXTDSA-N 2 1 336.520 3.447 20 0 EGADMP CC(C)(C)OC(=O)CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000182226212 455465673 /nfs/dbraw/zinc/46/56/73/455465673.db2.gz QEMLVPMHQPRABV-SJLPKXTDSA-N 2 1 336.520 3.447 20 0 EGADMP CC(C)(C)OC(=O)CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000182226212 455465676 /nfs/dbraw/zinc/46/56/76/455465676.db2.gz QEMLVPMHQPRABV-SJLPKXTDSA-N 2 1 336.520 3.447 20 0 EGADMP Brc1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)C2 ZINC000110821664 454853840 /nfs/dbraw/zinc/85/38/40/454853840.db2.gz ZHTYWTJDUVSKFH-DYVFJYSZSA-N 2 1 349.316 3.380 20 0 EGADMP CCOc1c(Cl)cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000126661523 454910026 /nfs/dbraw/zinc/91/00/26/454910026.db2.gz LCFFDSYMIDHFOW-HUUCEWRRSA-N 2 1 338.879 3.464 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000126661523 454910029 /nfs/dbraw/zinc/91/00/29/454910029.db2.gz LCFFDSYMIDHFOW-HUUCEWRRSA-N 2 1 338.879 3.464 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000126661523 454910031 /nfs/dbraw/zinc/91/00/31/454910031.db2.gz LCFFDSYMIDHFOW-HUUCEWRRSA-N 2 1 338.879 3.464 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000151045855 454930154 /nfs/dbraw/zinc/93/01/54/454930154.db2.gz PAPVDMAWGVSKPY-JTDSTZFVSA-N 2 1 329.488 3.022 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CC2CC2)C2CCCCC2)CC1 ZINC000114456400 454955045 /nfs/dbraw/zinc/95/50/45/454955045.db2.gz KCKAWEBNOUWAGQ-UHFFFAOYSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1nccn1CCC[N@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000127375764 454958521 /nfs/dbraw/zinc/95/85/21/454958521.db2.gz ASSBHBCFAWQXSC-LJQANCHMSA-N 2 1 333.451 3.412 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000127375764 454958523 /nfs/dbraw/zinc/95/85/23/454958523.db2.gz ASSBHBCFAWQXSC-LJQANCHMSA-N 2 1 333.451 3.412 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000127375764 454958526 /nfs/dbraw/zinc/95/85/26/454958526.db2.gz ASSBHBCFAWQXSC-LJQANCHMSA-N 2 1 333.451 3.412 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000155060896 454959085 /nfs/dbraw/zinc/95/90/85/454959085.db2.gz KGODOHXWDQUZNY-VAMGGRTRSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178716093 454969148 /nfs/dbraw/zinc/96/91/48/454969148.db2.gz TZNGYXRKYFPGLE-HUUCEWRRSA-N 2 1 328.460 3.136 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000155219821 454976605 /nfs/dbraw/zinc/97/66/05/454976605.db2.gz MLJHUCVVUAMHAB-JXFKEZNVSA-N 3 1 349.950 3.482 20 0 EGADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000155219821 454976608 /nfs/dbraw/zinc/97/66/08/454976608.db2.gz MLJHUCVVUAMHAB-JXFKEZNVSA-N 2 1 349.950 3.482 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1Br ZINC000155381136 454994737 /nfs/dbraw/zinc/99/47/37/454994737.db2.gz OKLOCKJAPXDGCQ-TYNCELHUSA-N 2 1 341.293 3.276 20 0 EGADMP c1cnn(-c2ccc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)c1 ZINC000179169056 455016204 /nfs/dbraw/zinc/01/62/04/455016204.db2.gz UNOCKPQKANZYPP-WIYYLYMNSA-N 2 1 336.483 3.321 20 0 EGADMP c1cnn(-c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2)c1 ZINC000179169056 455016206 /nfs/dbraw/zinc/01/62/06/455016206.db2.gz UNOCKPQKANZYPP-WIYYLYMNSA-N 2 1 336.483 3.321 20 0 EGADMP CC[C@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[NH+]1CCCC1 ZINC000151711878 455020197 /nfs/dbraw/zinc/02/01/97/455020197.db2.gz RPRICHQERLEINH-BQIYRTECSA-N 2 1 341.499 3.283 20 0 EGADMP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128252116 455039377 /nfs/dbraw/zinc/03/93/77/455039377.db2.gz GJIFKCNSCDBAIC-OXJNMPFZSA-N 2 1 333.495 3.066 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2ccsc2S1 ZINC000128335383 455046468 /nfs/dbraw/zinc/04/64/68/455046468.db2.gz UESBWAFWPHIYEU-GOEBONIOSA-N 2 1 339.574 3.291 20 0 EGADMP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccc1OC(F)F ZINC000623654519 460661016 /nfs/dbraw/zinc/66/10/16/460661016.db2.gz BIKGVVLZCNUTBI-CQSZACIVSA-N 2 1 328.403 3.118 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)ccc1OC(F)F ZINC000623654518 460661212 /nfs/dbraw/zinc/66/12/12/460661212.db2.gz BIKGVVLZCNUTBI-AWEZNQCLSA-N 2 1 328.403 3.118 20 0 EGADMP C[C@@H](CC[NH2+][C@H]1CCCc2c1cnn2C)[N@H+](C)Cc1ccccc1 ZINC000156230266 455095529 /nfs/dbraw/zinc/09/55/29/455095529.db2.gz LAQOYHFUVDRSCS-LPHOPBHVSA-N 2 1 326.488 3.298 20 0 EGADMP C[C@@H](CC[NH2+][C@H]1CCCc2c1cnn2C)[N@@H+](C)Cc1ccccc1 ZINC000156230266 455095531 /nfs/dbraw/zinc/09/55/31/455095531.db2.gz LAQOYHFUVDRSCS-LPHOPBHVSA-N 2 1 326.488 3.298 20 0 EGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000129100054 455097887 /nfs/dbraw/zinc/09/78/87/455097887.db2.gz SDHIRDPATHCEFN-PWSUYJOCSA-N 2 1 330.259 3.134 20 0 EGADMP CCOCc1cc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)ccc1OC ZINC000179955219 455105720 /nfs/dbraw/zinc/10/57/20/455105720.db2.gz LLLUDDSJLBUNNB-SFHVURJKSA-N 2 1 334.504 3.395 20 0 EGADMP CCOCc1cc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)ccc1OC ZINC000179955219 455105723 /nfs/dbraw/zinc/10/57/23/455105723.db2.gz LLLUDDSJLBUNNB-SFHVURJKSA-N 2 1 334.504 3.395 20 0 EGADMP COc1c(Br)cccc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657728 460665144 /nfs/dbraw/zinc/66/51/44/460665144.db2.gz XPVNRKPHQMMKRE-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP COc1c(Br)cccc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657728 460665149 /nfs/dbraw/zinc/66/51/49/460665149.db2.gz XPVNRKPHQMMKRE-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180442052 455171362 /nfs/dbraw/zinc/17/13/62/455171362.db2.gz KVWNDOZEMPWHKN-IFXJQAMLSA-N 2 1 341.434 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000245868129 455387960 /nfs/dbraw/zinc/38/79/60/455387960.db2.gz KKJMRQZIUZATRW-BRWVUGGUSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)NC2CCCC2)C1 ZINC000246370666 455478914 /nfs/dbraw/zinc/47/89/14/455478914.db2.gz LQTXZHVSZFNDFV-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000246370666 455478921 /nfs/dbraw/zinc/47/89/21/455478921.db2.gz LQTXZHVSZFNDFV-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000246370666 455478926 /nfs/dbraw/zinc/47/89/26/455478926.db2.gz LQTXZHVSZFNDFV-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000191824966 455523333 /nfs/dbraw/zinc/52/33/33/455523333.db2.gz PHYSQMUWNOGLKB-LBPRGKRZSA-N 2 1 334.430 3.445 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000246919836 455535356 /nfs/dbraw/zinc/53/53/56/455535356.db2.gz GQYRDFQHJSXZRJ-BLLLJJGKSA-N 2 1 343.284 3.451 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)NCCC(C)(C)C)C1 ZINC000247038684 455549538 /nfs/dbraw/zinc/54/95/38/455549538.db2.gz RQTNHILIKPLAAK-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1ccccc1C1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CCOCC1 ZINC000247137513 455565086 /nfs/dbraw/zinc/56/50/86/455565086.db2.gz SCEYMCGAWXCYLM-QWFCFKBJSA-N 2 1 330.516 3.362 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N(C)C1CCC(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185688730 455597432 /nfs/dbraw/zinc/59/74/32/455597432.db2.gz IGEZZHFPZWDGQN-QGLXBCBXSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N(C)C1CCC(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185688730 455597437 /nfs/dbraw/zinc/59/74/37/455597437.db2.gz IGEZZHFPZWDGQN-QGLXBCBXSA-N 2 1 349.563 3.266 20 0 EGADMP COC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000192444314 455618468 /nfs/dbraw/zinc/61/84/68/455618468.db2.gz FSPOWDHMLWGCHB-SGZDXZSOSA-N 2 1 344.499 3.361 20 0 EGADMP COC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000192444314 455618475 /nfs/dbraw/zinc/61/84/75/455618475.db2.gz FSPOWDHMLWGCHB-SGZDXZSOSA-N 2 1 344.499 3.361 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1F ZINC000271430843 455634023 /nfs/dbraw/zinc/63/40/23/455634023.db2.gz BAAHRRMUGZPOAU-IPMKNSEASA-N 2 1 338.442 3.383 20 0 EGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000271482881 455654289 /nfs/dbraw/zinc/65/42/89/455654289.db2.gz JDXOWGWYJYADGT-KFKAGJAMSA-N 2 1 332.488 3.032 20 0 EGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000271482878 455654476 /nfs/dbraw/zinc/65/44/76/455654476.db2.gz JDXOWGWYJYADGT-IPELMVKDSA-N 2 1 332.488 3.032 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCCC1 ZINC000247943303 455658322 /nfs/dbraw/zinc/65/83/22/455658322.db2.gz DEGUYTDEWZHXBX-OXQOHEQNSA-N 2 1 343.515 3.052 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cccc(OCC[NH+](C)C)c1 ZINC000271511943 455666384 /nfs/dbraw/zinc/66/63/84/455666384.db2.gz OCCVKCQSXBITMA-KBXCAEBGSA-N 2 1 328.460 3.078 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](O)c1c(Cl)cccc1Cl ZINC000271518449 455668529 /nfs/dbraw/zinc/66/85/29/455668529.db2.gz PYGZOXHLQTWCHJ-OVZMXSCWSA-N 2 1 331.287 3.488 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](O)c1c(Cl)cccc1Cl ZINC000271518449 455668535 /nfs/dbraw/zinc/66/85/35/455668535.db2.gz PYGZOXHLQTWCHJ-OVZMXSCWSA-N 2 1 331.287 3.488 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000271539933 455677154 /nfs/dbraw/zinc/67/71/54/455677154.db2.gz UCRIMPLZMXNLGN-YIKOMLBNSA-N 2 1 331.287 3.345 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000271555455 455683451 /nfs/dbraw/zinc/68/34/51/455683451.db2.gz WPVYSOOVAGCJFN-YCPHGPKFSA-N 2 1 330.501 3.066 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H]3CN(CC[NH+]4CCCCC4)CC[C@H]32)cc1 ZINC000248135754 455686027 /nfs/dbraw/zinc/68/60/27/455686027.db2.gz PAHVZLWWVMTYNO-FCHUYYIVSA-N 2 1 341.543 3.459 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Br)cs2)CCCO1 ZINC000277890390 455698834 /nfs/dbraw/zinc/69/88/34/455698834.db2.gz OLCNVYWBMRCUQZ-GFCCVEGCSA-N 2 1 347.322 3.101 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Br)cs2)CCCO1 ZINC000277890390 455698836 /nfs/dbraw/zinc/69/88/36/455698836.db2.gz OLCNVYWBMRCUQZ-GFCCVEGCSA-N 2 1 347.322 3.101 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)/C=C/C[NH+](C)C)c1 ZINC000268656883 455711455 /nfs/dbraw/zinc/71/14/55/455711455.db2.gz QGBVCMWQWKLHDN-FMIVXFBMSA-N 2 1 331.504 3.043 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268946403 455740549 /nfs/dbraw/zinc/74/05/49/455740549.db2.gz BFISVYRADYYDEF-XIKSMUEASA-N 2 1 328.500 3.443 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268946403 455740552 /nfs/dbraw/zinc/74/05/52/455740552.db2.gz BFISVYRADYYDEF-XIKSMUEASA-N 2 1 328.500 3.443 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000271767383 455752919 /nfs/dbraw/zinc/75/29/19/455752919.db2.gz FGCOFACCIHXHEZ-NVXWUHKLSA-N 2 1 331.460 3.168 20 0 EGADMP Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000268990023 455755538 /nfs/dbraw/zinc/75/55/38/455755538.db2.gz MESHYLYKMDAFIH-KBXCAEBGSA-N 2 1 325.412 3.466 20 0 EGADMP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000249881349 455780792 /nfs/dbraw/zinc/78/07/92/455780792.db2.gz HQDJUGKPKBDFJR-BIRZXAFVSA-N 2 1 342.527 3.428 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000271868277 455793430 /nfs/dbraw/zinc/79/34/30/455793430.db2.gz WXUGSPGOJXIIER-UHFFFAOYSA-N 2 1 349.272 3.076 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C4CCC4)cc3)C2)CC1 ZINC000278306521 455812687 /nfs/dbraw/zinc/81/26/87/455812687.db2.gz AVUUNSHHMKAHDY-NRFANRHFSA-N 2 1 327.516 3.166 20 0 EGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)CCCCCC[NH3+])cc2)C1 ZINC000269244542 455820089 /nfs/dbraw/zinc/82/00/89/455820089.db2.gz DAMFGEMOBCHELQ-QGZVFWFLSA-N 2 1 347.503 3.255 20 0 EGADMP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000252644170 455825262 /nfs/dbraw/zinc/82/52/62/455825262.db2.gz NMLUFYRJVKJCHT-SVFBPWRDSA-N 2 1 344.547 3.146 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCCC[NH+]1CCCC[C@@H]1C ZINC000252644170 455825269 /nfs/dbraw/zinc/82/52/69/455825269.db2.gz NMLUFYRJVKJCHT-SVFBPWRDSA-N 2 1 344.547 3.146 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCCC[NH+]1CCCC[C@@H]1C ZINC000252644170 455825275 /nfs/dbraw/zinc/82/52/75/455825275.db2.gz NMLUFYRJVKJCHT-SVFBPWRDSA-N 2 1 344.547 3.146 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000252644170 455825281 /nfs/dbraw/zinc/82/52/81/455825281.db2.gz NMLUFYRJVKJCHT-SVFBPWRDSA-N 3 1 344.547 3.146 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NCCC[N@H+]1CCCC[C@@H]1C ZINC000252644170 455825286 /nfs/dbraw/zinc/82/52/86/455825286.db2.gz NMLUFYRJVKJCHT-SVFBPWRDSA-N 3 1 344.547 3.146 20 0 EGADMP CC(C)OC(=O)c1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000285495213 455858593 /nfs/dbraw/zinc/85/85/93/455858593.db2.gz MIAKNZUTLLIUOU-DFNIBXOVSA-N 2 1 330.472 3.309 20 0 EGADMP CC(C)OC(=O)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000285495213 455858594 /nfs/dbraw/zinc/85/85/94/455858594.db2.gz MIAKNZUTLLIUOU-DFNIBXOVSA-N 2 1 330.472 3.309 20 0 EGADMP CC(C)OC(=O)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000285495213 455858598 /nfs/dbraw/zinc/85/85/98/455858598.db2.gz MIAKNZUTLLIUOU-DFNIBXOVSA-N 2 1 330.472 3.309 20 0 EGADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000272177182 455867373 /nfs/dbraw/zinc/86/73/73/455867373.db2.gz JLRNKUMZNULMCT-APWZRJJASA-N 2 1 340.467 3.401 20 0 EGADMP c1cn(CC[NH2+][C@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000285611723 455881852 /nfs/dbraw/zinc/88/18/52/455881852.db2.gz KHJKHKQEQDDCSA-ACRUOGEOSA-N 2 1 338.499 3.164 20 0 EGADMP CC(C)c1cccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000261599587 455910259 /nfs/dbraw/zinc/91/02/59/455910259.db2.gz AUYGXJXWKRDOFR-LJQANCHMSA-N 2 1 329.488 3.213 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CC[C@H]2CC[NH2+]C2)c1 ZINC000261699721 455930176 /nfs/dbraw/zinc/93/01/76/455930176.db2.gz COOWYUPQFXJOJG-INIZCTEOSA-N 2 1 340.471 3.383 20 0 EGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000270358605 455936615 /nfs/dbraw/zinc/93/66/15/455936615.db2.gz FYWVFKGZGZOJKT-LJQANCHMSA-N 2 1 329.488 3.402 20 0 EGADMP COc1cc(C)[nH+]c(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000270367994 455940128 /nfs/dbraw/zinc/94/01/28/455940128.db2.gz YUUQDMQXFCWFBX-IBGZPJMESA-N 2 1 339.483 3.353 20 0 EGADMP COc1cc(C)[nH+]c(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000270367994 455940134 /nfs/dbraw/zinc/94/01/34/455940134.db2.gz YUUQDMQXFCWFBX-IBGZPJMESA-N 2 1 339.483 3.353 20 0 EGADMP Cc1ccc(O)c(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000261753814 455940732 /nfs/dbraw/zinc/94/07/32/455940732.db2.gz WUTUZFKKCJAGFT-GOSISDBHSA-N 2 1 343.496 3.301 20 0 EGADMP FC(F)(F)COc1cccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000280320052 455946069 /nfs/dbraw/zinc/94/60/69/455946069.db2.gz QGJMGHRXWPQLSL-HOTGVXAUSA-N 2 1 342.405 3.387 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000261858235 455960776 /nfs/dbraw/zinc/96/07/76/455960776.db2.gz FOMYEEDXNNCKNJ-RYUDHWBXSA-N 2 1 344.286 3.381 20 0 EGADMP C[C@H](C[NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000187863517 455962508 /nfs/dbraw/zinc/96/25/08/455962508.db2.gz MJNKVZGZQRQVDG-MRXNPFEDSA-N 2 1 337.939 3.307 20 0 EGADMP Cc1cnccc1NC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272477029 455963720 /nfs/dbraw/zinc/96/37/20/455963720.db2.gz SJZPFFAKJMXCPB-SJLPKXTDSA-N 2 1 338.455 3.422 20 0 EGADMP Cc1ccccc1-c1cccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262096603 455997344 /nfs/dbraw/zinc/99/73/44/455997344.db2.gz IBAAEBSQDWYCRQ-NRFANRHFSA-N 2 1 335.495 3.142 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000272571725 455997919 /nfs/dbraw/zinc/99/79/19/455997919.db2.gz FTLNFNPYEHLQLG-UYAOXDASSA-N 2 1 343.515 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000272571725 455997921 /nfs/dbraw/zinc/99/79/21/455997921.db2.gz FTLNFNPYEHLQLG-UYAOXDASSA-N 2 1 343.515 3.085 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H](C)Cc3ccccc3F)CC2)nc(C)[nH+]1 ZINC000188115243 456000605 /nfs/dbraw/zinc/00/06/05/456000605.db2.gz ANSNCWYVUWOZSI-CQSZACIVSA-N 2 1 342.462 3.422 20 0 EGADMP COc1c(O)cccc1CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272612927 456014152 /nfs/dbraw/zinc/01/41/52/456014152.db2.gz KSYSOSBDPIMHFC-QFBILLFUSA-N 2 1 340.467 3.401 20 0 EGADMP COc1c(O)cccc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272612927 456014156 /nfs/dbraw/zinc/01/41/56/456014156.db2.gz KSYSOSBDPIMHFC-QFBILLFUSA-N 2 1 340.467 3.401 20 0 EGADMP COc1c(O)cccc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272612927 456014158 /nfs/dbraw/zinc/01/41/58/456014158.db2.gz KSYSOSBDPIMHFC-QFBILLFUSA-N 2 1 340.467 3.401 20 0 EGADMP Cc1cc(NC(=O)NCc2cccc(C[NH+](C)C)c2)cn2cc[nH+]c12 ZINC000296730976 456022564 /nfs/dbraw/zinc/02/25/64/456022564.db2.gz CDWFSLFKPYVHST-UHFFFAOYSA-N 2 1 337.427 3.026 20 0 EGADMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000262473162 456038738 /nfs/dbraw/zinc/03/87/38/456038738.db2.gz JJSKGHGPMHBPEO-FZMZJTMJSA-N 2 1 342.270 3.006 20 0 EGADMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000262473162 456038739 /nfs/dbraw/zinc/03/87/39/456038739.db2.gz JJSKGHGPMHBPEO-FZMZJTMJSA-N 2 1 342.270 3.006 20 0 EGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000271004670 456093449 /nfs/dbraw/zinc/09/34/49/456093449.db2.gz KWLJSHVKVJASGN-ROUUACIJSA-N 2 1 326.488 3.293 20 0 EGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000271004670 456093455 /nfs/dbraw/zinc/09/34/55/456093455.db2.gz KWLJSHVKVJASGN-ROUUACIJSA-N 2 1 326.488 3.293 20 0 EGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000271004670 456093462 /nfs/dbraw/zinc/09/34/62/456093462.db2.gz KWLJSHVKVJASGN-ROUUACIJSA-N 2 1 326.488 3.293 20 0 EGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Br)cc1F ZINC000225562797 456093830 /nfs/dbraw/zinc/09/38/30/456093830.db2.gz BURDYHCEJVUTTG-JTQLQIEISA-N 2 1 326.213 3.215 20 0 EGADMP CC(C)n1nccc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000281010032 456108192 /nfs/dbraw/zinc/10/81/92/456108192.db2.gz WSPUEKFPLVXGON-IBGZPJMESA-N 2 1 326.488 3.118 20 0 EGADMP CC(C)n1nccc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000281010032 456108196 /nfs/dbraw/zinc/10/81/96/456108196.db2.gz WSPUEKFPLVXGON-IBGZPJMESA-N 2 1 326.488 3.118 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCN(c3cc[nH+]cc3Cl)CC2)C[C@H](C)O1 ZINC000301585533 456152635 /nfs/dbraw/zinc/15/26/35/456152635.db2.gz VXWRGZUMGOQUQZ-GASCZTMLSA-N 2 1 337.895 3.451 20 0 EGADMP C[C@@H]1C[N@H+](CCC2CCN(c3cc[nH+]cc3Cl)CC2)C[C@H](C)O1 ZINC000301585533 456152639 /nfs/dbraw/zinc/15/26/39/456152639.db2.gz VXWRGZUMGOQUQZ-GASCZTMLSA-N 2 1 337.895 3.451 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000273042435 456156739 /nfs/dbraw/zinc/15/67/39/456156739.db2.gz VKSNSNAMGMNUBH-FQEVSTJZSA-N 2 1 331.504 3.038 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000263660987 456185181 /nfs/dbraw/zinc/18/51/81/456185181.db2.gz FBWJITVANNDVKV-UHFFFAOYSA-N 2 1 337.895 3.473 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2c(cc1Cl)OCCO2 ZINC000289979367 456204542 /nfs/dbraw/zinc/20/45/42/456204542.db2.gz QLOUXCFSNLBUGI-UHFFFAOYSA-N 2 1 335.835 3.138 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2c(cc1Cl)OCCO2 ZINC000289979367 456204547 /nfs/dbraw/zinc/20/45/47/456204547.db2.gz QLOUXCFSNLBUGI-UHFFFAOYSA-N 2 1 335.835 3.138 20 0 EGADMP C[C@@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000290157346 456255385 /nfs/dbraw/zinc/25/53/85/456255385.db2.gz LQZVSMDPXSQLAW-IEBWSBKVSA-N 2 1 326.488 3.373 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000290157346 456255386 /nfs/dbraw/zinc/25/53/86/456255386.db2.gz LQZVSMDPXSQLAW-IEBWSBKVSA-N 2 1 326.488 3.373 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000290157346 456255388 /nfs/dbraw/zinc/25/53/88/456255388.db2.gz LQZVSMDPXSQLAW-IEBWSBKVSA-N 2 1 326.488 3.373 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000290284424 456280448 /nfs/dbraw/zinc/28/04/48/456280448.db2.gz XNCMBOBULCHZNY-IEBWSBKVSA-N 2 1 326.488 3.373 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000290284424 456280451 /nfs/dbraw/zinc/28/04/51/456280451.db2.gz XNCMBOBULCHZNY-IEBWSBKVSA-N 2 1 326.488 3.373 20 0 EGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)CC3 ZINC000275678755 456283497 /nfs/dbraw/zinc/28/34/97/456283497.db2.gz WCABGPNGPCQYIN-HZPDHXFCSA-N 2 1 334.467 3.382 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCc1ncc(C[NH+](C)C)s1 ZINC000352765431 456287249 /nfs/dbraw/zinc/28/72/49/456287249.db2.gz KKJPTPWQRNCFSF-WBVHZDCISA-N 2 1 338.565 3.195 20 0 EGADMP COc1ccccc1-n1nccc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000281670748 456288282 /nfs/dbraw/zinc/28/82/82/456288282.db2.gz OAEMHWUUMNQWNG-UHFFFAOYSA-N 2 1 342.487 3.280 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)on1 ZINC000342873867 456288624 /nfs/dbraw/zinc/28/86/24/456288624.db2.gz YXOZLYHFBRVRKE-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP C[C@H](O)c1ncc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000290337058 456297757 /nfs/dbraw/zinc/29/77/57/456297757.db2.gz KVBYPNXDUBQJKA-AWEZNQCLSA-N 2 1 331.485 3.082 20 0 EGADMP Cc1cccc(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c1C ZINC000275742359 456301856 /nfs/dbraw/zinc/30/18/56/456301856.db2.gz QETQOPWDPQIKGE-IBGZPJMESA-N 2 1 338.499 3.181 20 0 EGADMP Cc1cccc(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c1C ZINC000275742359 456301860 /nfs/dbraw/zinc/30/18/60/456301860.db2.gz QETQOPWDPQIKGE-IBGZPJMESA-N 2 1 338.499 3.181 20 0 EGADMP C[N@H+]1CC[C@@H](NC2CC[NH+](CC3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340190623 456302321 /nfs/dbraw/zinc/30/23/21/456302321.db2.gz IVLSKAJOSAJTHK-NHCUHLMSSA-N 2 1 327.516 3.286 20 0 EGADMP C[C@H]([NH2+][C@H](CO)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275768768 456308140 /nfs/dbraw/zinc/30/81/40/456308140.db2.gz UQFHIFVMPFXRMR-NYVOZVTQSA-N 2 1 338.495 3.090 20 0 EGADMP CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000352801943 456321737 /nfs/dbraw/zinc/32/17/37/456321737.db2.gz UWYKBJFGVANZFD-HKUYNNGSSA-N 2 1 343.515 3.133 20 0 EGADMP CNC(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000352801943 456321743 /nfs/dbraw/zinc/32/17/43/456321743.db2.gz UWYKBJFGVANZFD-HKUYNNGSSA-N 2 1 343.515 3.133 20 0 EGADMP CNC(=O)c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000352801943 456321750 /nfs/dbraw/zinc/32/17/50/456321750.db2.gz UWYKBJFGVANZFD-HKUYNNGSSA-N 2 1 343.515 3.133 20 0 EGADMP CNC(=O)c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000352801943 456321759 /nfs/dbraw/zinc/32/17/59/456321759.db2.gz UWYKBJFGVANZFD-HKUYNNGSSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000290431943 456326561 /nfs/dbraw/zinc/32/65/61/456326561.db2.gz RSUGZGSLYIVNKI-CQSZACIVSA-N 2 1 333.501 3.326 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)Cc2c[nH]c3nccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000290440944 456329710 /nfs/dbraw/zinc/32/97/10/456329710.db2.gz NUSDFMQHVNOOPC-VQIMIIECSA-N 2 1 349.482 3.443 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)Cc2c[nH]c3nccnc23)CC[N@H+]1Cc1ccccc1 ZINC000290440944 456329717 /nfs/dbraw/zinc/32/97/17/456329717.db2.gz NUSDFMQHVNOOPC-VQIMIIECSA-N 2 1 349.482 3.443 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2c[nH]c3nccnc23)CC[NH+]1Cc1ccccc1 ZINC000290440944 456329725 /nfs/dbraw/zinc/32/97/25/456329725.db2.gz NUSDFMQHVNOOPC-VQIMIIECSA-N 2 1 349.482 3.443 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2c[nH]c3nccnc23)CC[NH+]1Cc1ccccc1 ZINC000290440944 456329731 /nfs/dbraw/zinc/32/97/31/456329731.db2.gz NUSDFMQHVNOOPC-VQIMIIECSA-N 2 1 349.482 3.443 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2NC2CC[NH+](C3CC3)CC2)C[C@@H](C)O1 ZINC000297956712 456332354 /nfs/dbraw/zinc/33/23/54/456332354.db2.gz WFAARUOGOKUFMA-IAGOWNOFSA-N 2 1 343.515 3.335 20 0 EGADMP Cn1cncc1CC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000297997065 456339262 /nfs/dbraw/zinc/33/92/62/456339262.db2.gz ZGHVXJJRXCRZSX-AZUAARDMSA-N 2 1 327.472 3.331 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]([C@@H](C)c2ccccc2)C2CC2)CC1 ZINC000352831564 456345872 /nfs/dbraw/zinc/34/58/72/456345872.db2.gz LTTPNWKMPJVHMY-KRWDZBQOSA-N 2 1 343.515 3.201 20 0 EGADMP C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CC[N@@H+]1CC(C)(C)O ZINC000302521496 456353257 /nfs/dbraw/zinc/35/32/57/456353257.db2.gz XVURLLMHVINOOG-CYBMUJFWSA-N 2 1 333.863 3.170 20 0 EGADMP C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CC[N@H+]1CC(C)(C)O ZINC000302521496 456353263 /nfs/dbraw/zinc/35/32/63/456353263.db2.gz XVURLLMHVINOOG-CYBMUJFWSA-N 2 1 333.863 3.170 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000343088875 456398706 /nfs/dbraw/zinc/39/87/06/456398706.db2.gz BOJQIBUMSMVETR-GOSISDBHSA-N 2 1 340.556 3.059 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H]1SC ZINC000298269729 456410557 /nfs/dbraw/zinc/41/05/57/456410557.db2.gz GFLSOZNYDYVMPW-IYWMVGAKSA-N 2 1 348.556 3.050 20 0 EGADMP COc1ccccc1[C@H]1CC[N@@H+](Cc2ncc(CN(C)C)s2)C1 ZINC000347862744 456412456 /nfs/dbraw/zinc/41/24/56/456412456.db2.gz WUNQJZVTOYIBSZ-AWEZNQCLSA-N 2 1 331.485 3.203 20 0 EGADMP CO[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(F)(F)F ZINC000340365981 456416707 /nfs/dbraw/zinc/41/67/07/456416707.db2.gz NQYKIMLWWVOWII-BZUAXINKSA-N 2 1 330.394 3.379 20 0 EGADMP CO[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(F)(F)F ZINC000340365981 456416709 /nfs/dbraw/zinc/41/67/09/456416709.db2.gz NQYKIMLWWVOWII-BZUAXINKSA-N 2 1 330.394 3.379 20 0 EGADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2ccc(COCC(F)(F)F)cc2)C1 ZINC000343156294 456439836 /nfs/dbraw/zinc/43/98/36/456439836.db2.gz BAAFLXOAMZMJTP-CZUORRHYSA-N 2 1 330.394 3.195 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OCC(C)C ZINC000340414569 456446681 /nfs/dbraw/zinc/44/66/81/456446681.db2.gz IMDAFLGUHHWOEA-ZWKOTPCHSA-N 2 1 332.488 3.446 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OCC(C)C ZINC000340414569 456446686 /nfs/dbraw/zinc/44/66/86/456446686.db2.gz IMDAFLGUHHWOEA-ZWKOTPCHSA-N 2 1 332.488 3.446 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000353030908 456449179 /nfs/dbraw/zinc/44/91/79/456449179.db2.gz UMOFHOBIVCLNCK-UHFFFAOYSA-N 2 1 340.552 3.262 20 0 EGADMP CCCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000340490685 456489383 /nfs/dbraw/zinc/48/93/83/456489383.db2.gz OSYODIIBJOIFOG-MSOLQXFVSA-N 2 1 345.531 3.455 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]1SC ZINC000298568152 456491753 /nfs/dbraw/zinc/49/17/53/456491753.db2.gz WUBJTCITTVUNJX-ZCNNSNEGSA-N 2 1 348.556 3.192 20 0 EGADMP Fc1ccc(SCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000343268493 456497539 /nfs/dbraw/zinc/49/75/39/456497539.db2.gz LGYQEVPCUJAACQ-KURKYZTESA-N 2 1 338.492 3.055 20 0 EGADMP CCCOc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282415012 456504747 /nfs/dbraw/zinc/50/47/47/456504747.db2.gz SHUWPDNFQDUKMG-QGZVFWFLSA-N 2 1 333.520 3.152 20 0 EGADMP O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000291082673 456521562 /nfs/dbraw/zinc/52/15/62/456521562.db2.gz GRYDEECJAOMHKT-PBHICJAKSA-N 2 1 342.405 3.157 20 0 EGADMP O[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000291082673 456521569 /nfs/dbraw/zinc/52/15/69/456521569.db2.gz GRYDEECJAOMHKT-PBHICJAKSA-N 2 1 342.405 3.157 20 0 EGADMP COc1cc2[nH+]ccc(N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c2cc1OC ZINC000298832152 456550523 /nfs/dbraw/zinc/55/05/23/456550523.db2.gz HSTRHQKQDPKYPU-YOEHRIQHSA-N 2 1 341.455 3.173 20 0 EGADMP C[C@H]1C[C@H](N(C)c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000348228409 456550981 /nfs/dbraw/zinc/55/09/81/456550981.db2.gz QLQGYKSJYNKSAN-DOTOQJQBSA-N 2 1 335.455 3.447 20 0 EGADMP C[C@H]1C[C@H](N(C)c2[nH+]cnc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000348228409 456550986 /nfs/dbraw/zinc/55/09/86/456550986.db2.gz QLQGYKSJYNKSAN-DOTOQJQBSA-N 2 1 335.455 3.447 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc21 ZINC000282748247 456613927 /nfs/dbraw/zinc/61/39/27/456613927.db2.gz AOKCAGYFPBJNPR-RTBURBONSA-N 2 1 328.456 3.020 20 0 EGADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000316765098 456615344 /nfs/dbraw/zinc/61/53/44/456615344.db2.gz DBTGYOGWONWBIA-FZMZJTMJSA-N 2 1 344.286 3.381 20 0 EGADMP O[C@]1(C[NH2+][C@H]2CCC[C@@H]2CCCF)CC[N@H+](Cc2ccccc2)C1 ZINC000337996634 456644700 /nfs/dbraw/zinc/64/47/00/456644700.db2.gz KVXNGFOXIQHSPR-AABGKKOBSA-N 2 1 334.479 3.131 20 0 EGADMP O[C@]1(C[NH2+][C@H]2CCC[C@@H]2CCCF)CC[N@@H+](Cc2ccccc2)C1 ZINC000337996634 456644703 /nfs/dbraw/zinc/64/47/03/456644703.db2.gz KVXNGFOXIQHSPR-AABGKKOBSA-N 2 1 334.479 3.131 20 0 EGADMP Cc1noc(CCC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000353388391 456666706 /nfs/dbraw/zinc/66/67/06/456666706.db2.gz QWENOGPSFUWIEK-UHFFFAOYSA-N 2 1 342.487 3.343 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(=O)NC)c1 ZINC000348407873 456670987 /nfs/dbraw/zinc/67/09/87/456670987.db2.gz WXBSKZLVNNZGSA-MOPGFXCFSA-N 2 1 331.504 3.036 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000338167269 456678461 /nfs/dbraw/zinc/67/84/61/456678461.db2.gz VLMNSBVGYUTSRZ-HXUWFJFHSA-N 2 1 335.455 3.335 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000338187548 456693026 /nfs/dbraw/zinc/69/30/26/456693026.db2.gz MJTLHWKNHLVXMC-FXAWDEMLSA-N 2 1 345.531 3.473 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1 ZINC000338199314 456701098 /nfs/dbraw/zinc/70/10/98/456701098.db2.gz LBAVIEKNCJLGAU-UHFFFAOYSA-N 2 1 345.531 3.380 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000343559458 456705742 /nfs/dbraw/zinc/70/57/42/456705742.db2.gz DKEVYTZPWNFDCD-QGZVFWFLSA-N 2 1 331.504 3.017 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000343559458 456705748 /nfs/dbraw/zinc/70/57/48/456705748.db2.gz DKEVYTZPWNFDCD-QGZVFWFLSA-N 2 1 331.504 3.017 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000343559458 456705750 /nfs/dbraw/zinc/70/57/50/456705750.db2.gz DKEVYTZPWNFDCD-QGZVFWFLSA-N 2 1 331.504 3.017 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000343581302 456722308 /nfs/dbraw/zinc/72/23/08/456722308.db2.gz XFNIDMHQIRRJJI-IBGZPJMESA-N 2 1 331.504 3.133 20 0 EGADMP CCOc1cccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000343712998 456766871 /nfs/dbraw/zinc/76/68/71/456766871.db2.gz GWCZDAQGZVXNGC-UHFFFAOYSA-N 2 1 340.471 3.224 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000338686113 456851541 /nfs/dbraw/zinc/85/15/41/456851541.db2.gz DGPPTMZOSYJNID-GJJHYRHESA-N 2 1 342.483 3.385 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC[C@H]3CCC[NH2+]3)cc2)C1 ZINC000292198931 456883035 /nfs/dbraw/zinc/88/30/35/456883035.db2.gz YCSCCHMKHFDAQL-FUHWJXTLSA-N 2 1 329.488 3.389 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnc4ccc(Cl)cn34)C2)CC1 ZINC000349191992 456908824 /nfs/dbraw/zinc/90/88/24/456908824.db2.gz OQCDXEYVUMGXMK-HNNXBMFYSA-N 2 1 332.879 3.151 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339068694 456926266 /nfs/dbraw/zinc/92/62/66/456926266.db2.gz PCZRTEFDUFUASO-HZEGPAAWSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339068694 456926270 /nfs/dbraw/zinc/92/62/70/456926270.db2.gz PCZRTEFDUFUASO-HZEGPAAWSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068694 456926274 /nfs/dbraw/zinc/92/62/74/456926274.db2.gz PCZRTEFDUFUASO-HZEGPAAWSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339068694 456926279 /nfs/dbraw/zinc/92/62/79/456926279.db2.gz PCZRTEFDUFUASO-HZEGPAAWSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068694 456926282 /nfs/dbraw/zinc/92/62/82/456926282.db2.gz PCZRTEFDUFUASO-HZEGPAAWSA-N 2 1 327.516 3.113 20 0 EGADMP c1ccc(COc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)nc1 ZINC000339075656 456928235 /nfs/dbraw/zinc/92/82/35/456928235.db2.gz RGXCMFOANGDOTG-ICSRJNTNSA-N 2 1 337.467 3.377 20 0 EGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000349279026 456930195 /nfs/dbraw/zinc/93/01/95/456930195.db2.gz NNHGBKWIUHRQOY-GJYPPUQNSA-N 2 1 331.504 3.003 20 0 EGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000349279026 456930200 /nfs/dbraw/zinc/93/02/00/456930200.db2.gz NNHGBKWIUHRQOY-GJYPPUQNSA-N 2 1 331.504 3.003 20 0 EGADMP Cc1cccc(CN(CC[NH+](C)C)Cc2ncc(C[NH+](C)C)s2)c1 ZINC000349279184 456930244 /nfs/dbraw/zinc/93/02/44/456930244.db2.gz OFQQLYDGRDXYQX-UHFFFAOYSA-N 2 1 346.544 3.077 20 0 EGADMP CC[N@@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000345206304 456967951 /nfs/dbraw/zinc/96/79/51/456967951.db2.gz PEVHIGZWLNZSIE-AZUAARDMSA-N 2 1 332.488 3.208 20 0 EGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)cc1 ZINC000339253298 457020950 /nfs/dbraw/zinc/02/09/50/457020950.db2.gz JJBUJOGRNNOFOI-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)cc1 ZINC000339253298 457020953 /nfs/dbraw/zinc/02/09/53/457020953.db2.gz JJBUJOGRNNOFOI-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)cc1 ZINC000339253298 457020957 /nfs/dbraw/zinc/02/09/57/457020957.db2.gz JJBUJOGRNNOFOI-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000359102441 457056160 /nfs/dbraw/zinc/05/61/60/457056160.db2.gz GKUJTQLDPGLQQO-SVFBPWRDSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000359102441 457056165 /nfs/dbraw/zinc/05/61/65/457056165.db2.gz GKUJTQLDPGLQQO-SVFBPWRDSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000359102441 457056170 /nfs/dbraw/zinc/05/61/70/457056170.db2.gz GKUJTQLDPGLQQO-SVFBPWRDSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000359102441 457056175 /nfs/dbraw/zinc/05/61/75/457056175.db2.gz GKUJTQLDPGLQQO-SVFBPWRDSA-N 3 1 329.532 3.361 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2ncc(C)s2)[C@@H](C)C1 ZINC000349834209 457070740 /nfs/dbraw/zinc/07/07/40/457070740.db2.gz MSJBCKHMGRGJMK-ZOBUZTSGSA-N 2 1 339.549 3.282 20 0 EGADMP CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000359301540 457073476 /nfs/dbraw/zinc/07/34/76/457073476.db2.gz KDBWZIWLPLENKN-MLGOLLRUSA-N 2 1 341.293 3.209 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346644922 457087841 /nfs/dbraw/zinc/08/78/41/457087841.db2.gz NORIKTMNNYADJH-DNVCBOLYSA-N 2 1 326.488 3.026 20 0 EGADMP Cc1c([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)nnn1-c1ccccc1 ZINC000359669101 457108077 /nfs/dbraw/zinc/10/80/77/457108077.db2.gz AFVBBLWYULEVSY-INIZCTEOSA-N 2 1 349.482 3.488 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3ccccc3C(F)(F)F)C[C@H]21 ZINC000342143768 457133822 /nfs/dbraw/zinc/13/38/22/457133822.db2.gz QSBKRUAXLCKDAK-UMVBOHGHSA-N 2 1 328.378 3.143 20 0 EGADMP CCCCOc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346842230 457182229 /nfs/dbraw/zinc/18/22/29/457182229.db2.gz HTOABXZCNXHUMD-BZSNNMDCSA-N 2 1 332.488 3.433 20 0 EGADMP C[NH+](C)CC1CC[NH+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000342237077 457184889 /nfs/dbraw/zinc/18/48/89/457184889.db2.gz PJHUYLYMUIQXAP-UHFFFAOYSA-N 2 1 332.879 3.299 20 0 EGADMP c1ccc(OCc2cccnc2)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000363000690 457190675 /nfs/dbraw/zinc/19/06/75/457190675.db2.gz PIPKXGDLXVANRZ-WOJBJXKFSA-N 2 1 337.467 3.377 20 0 EGADMP c1ccc(OCc2cccnc2)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000363000690 457190679 /nfs/dbraw/zinc/19/06/79/457190679.db2.gz PIPKXGDLXVANRZ-WOJBJXKFSA-N 2 1 337.467 3.377 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000347065434 457212482 /nfs/dbraw/zinc/21/24/82/457212482.db2.gz LDCGVBNYOJMPSG-SFHVURJKSA-N 2 1 325.456 3.092 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000347065434 457212486 /nfs/dbraw/zinc/21/24/86/457212486.db2.gz LDCGVBNYOJMPSG-SFHVURJKSA-N 2 1 325.456 3.092 20 0 EGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356910808 457214680 /nfs/dbraw/zinc/21/46/80/457214680.db2.gz YZFMRWDJSQFAGZ-HUUCEWRRSA-N 2 1 335.458 3.113 20 0 EGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356910808 457214686 /nfs/dbraw/zinc/21/46/86/457214686.db2.gz YZFMRWDJSQFAGZ-HUUCEWRRSA-N 2 1 335.458 3.113 20 0 EGADMP Cc1cnc([C@@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000357000875 457267436 /nfs/dbraw/zinc/26/74/36/457267436.db2.gz LYJGSQWFTKCYIK-QGZVFWFLSA-N 2 1 348.535 3.172 20 0 EGADMP Cc1cnc([C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000357000875 457267441 /nfs/dbraw/zinc/26/74/41/457267441.db2.gz LYJGSQWFTKCYIK-QGZVFWFLSA-N 2 1 348.535 3.172 20 0 EGADMP CC(C)N1CCC[C@@H]([NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1=O ZINC000357008145 457273755 /nfs/dbraw/zinc/27/37/55/457273755.db2.gz DXCNTEDSBPWXGX-AZUAARDMSA-N 2 1 349.563 3.362 20 0 EGADMP COCc1cccc(OCC2(C[NH+]3CCC([NH+](C)C)CC3)CC2)c1 ZINC000354545365 457280228 /nfs/dbraw/zinc/28/02/28/457280228.db2.gz SYCRSLXZBDFCQY-UHFFFAOYSA-N 2 1 332.488 3.018 20 0 EGADMP CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357079693 457311603 /nfs/dbraw/zinc/31/16/03/457311603.db2.gz LHHIVTSBZWPUBP-ZBFHGGJFSA-N 2 1 347.528 3.057 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000340003984 457319807 /nfs/dbraw/zinc/31/98/07/457319807.db2.gz OXDDKXVKKVKJRO-IRXDYDNUSA-N 2 1 348.450 3.069 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000340003984 457319813 /nfs/dbraw/zinc/31/98/13/457319813.db2.gz OXDDKXVKKVKJRO-IRXDYDNUSA-N 2 1 348.450 3.069 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000351853940 457321538 /nfs/dbraw/zinc/32/15/38/457321538.db2.gz PSILTWKXJVARNK-SJORKVTESA-N 2 1 335.536 3.150 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000351853940 457321540 /nfs/dbraw/zinc/32/15/40/457321540.db2.gz PSILTWKXJVARNK-SJORKVTESA-N 2 1 335.536 3.150 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347344515 457365091 /nfs/dbraw/zinc/36/50/91/457365091.db2.gz PFIDXAOBQKSDKS-QZTJIDSGSA-N 2 1 345.512 3.472 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347344515 457365095 /nfs/dbraw/zinc/36/50/95/457365095.db2.gz PFIDXAOBQKSDKS-QZTJIDSGSA-N 2 1 345.512 3.472 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[NH+]3CCC[C@H]3C2)cc1)C(C)C ZINC000363687600 457416298 /nfs/dbraw/zinc/41/62/98/457416298.db2.gz BBHXEBFFBLZOHZ-FQEVSTJZSA-N 2 1 343.515 3.227 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1)C(C)C ZINC000363687600 457416303 /nfs/dbraw/zinc/41/63/03/457416303.db2.gz BBHXEBFFBLZOHZ-FQEVSTJZSA-N 2 1 343.515 3.227 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1)C(C)C ZINC000363687600 457416309 /nfs/dbraw/zinc/41/63/09/457416309.db2.gz BBHXEBFFBLZOHZ-FQEVSTJZSA-N 2 1 343.515 3.227 20 0 EGADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352506864 457425401 /nfs/dbraw/zinc/42/54/01/457425401.db2.gz AQZUWWCSXDEKDT-QGZVFWFLSA-N 2 1 331.504 3.047 20 0 EGADMP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccc2ccccc2c1 ZINC000352507903 457426939 /nfs/dbraw/zinc/42/69/39/457426939.db2.gz DVYDNJUWYKPVNU-UZLBHIALSA-N 2 1 339.483 3.220 20 0 EGADMP C[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccc2ccccc2c1 ZINC000352507903 457426943 /nfs/dbraw/zinc/42/69/43/457426943.db2.gz DVYDNJUWYKPVNU-UZLBHIALSA-N 2 1 339.483 3.220 20 0 EGADMP Clc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352541465 457450621 /nfs/dbraw/zinc/45/06/21/457450621.db2.gz YEJLRHMQWIHSQQ-SFHVURJKSA-N 2 1 330.863 3.306 20 0 EGADMP Clc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352541465 457450627 /nfs/dbraw/zinc/45/06/27/457450627.db2.gz YEJLRHMQWIHSQQ-SFHVURJKSA-N 2 1 330.863 3.306 20 0 EGADMP CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000347474045 457452471 /nfs/dbraw/zinc/45/24/71/457452471.db2.gz LKKPTNQFGIFEBJ-VQIMIIECSA-N 2 1 331.504 3.195 20 0 EGADMP Fc1cccc(Br)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000394800484 457474627 /nfs/dbraw/zinc/47/46/27/457474627.db2.gz NHSSNXWSEPYWDU-TXEJJXNPSA-N 2 1 327.241 3.020 20 0 EGADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(Cl)c1OC ZINC000397281501 457485718 /nfs/dbraw/zinc/48/57/18/457485718.db2.gz DNVMVUAQSIPPOY-BZPMIXESSA-N 2 1 326.868 3.162 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(Cl)c1OC ZINC000397281501 457485725 /nfs/dbraw/zinc/48/57/25/457485725.db2.gz DNVMVUAQSIPPOY-BZPMIXESSA-N 2 1 326.868 3.162 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000399107837 457506710 /nfs/dbraw/zinc/50/67/10/457506710.db2.gz YGCIOXSIEAYETO-GVDBMIGSSA-N 2 1 339.524 3.094 20 0 EGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CC(C)(C)C ZINC000374210164 457523493 /nfs/dbraw/zinc/52/34/93/457523493.db2.gz TWETXBIKIYKUFK-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000401130667 457524737 /nfs/dbraw/zinc/52/47/37/457524737.db2.gz NQDBLWSSNBFNJB-QNDFHXLGSA-N 3 1 327.516 3.017 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000401130667 457524741 /nfs/dbraw/zinc/52/47/41/457524741.db2.gz NQDBLWSSNBFNJB-QNDFHXLGSA-N 3 1 327.516 3.017 20 0 EGADMP COC(=O)[C@H](CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000425414294 457541927 /nfs/dbraw/zinc/54/19/27/457541927.db2.gz FSNMSICVIVUSPN-UYAOXDASSA-N 2 1 344.499 3.141 20 0 EGADMP COC(=O)[C@H](CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000425414294 457541938 /nfs/dbraw/zinc/54/19/38/457541938.db2.gz FSNMSICVIVUSPN-UYAOXDASSA-N 2 1 344.499 3.141 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000342832005 457545826 /nfs/dbraw/zinc/54/58/26/457545826.db2.gz QETURXINKVFOTQ-UHFFFAOYSA-N 2 1 331.504 3.367 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000342832005 457545834 /nfs/dbraw/zinc/54/58/34/457545834.db2.gz QETURXINKVFOTQ-UHFFFAOYSA-N 2 1 331.504 3.367 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000425454892 457561790 /nfs/dbraw/zinc/56/17/90/457561790.db2.gz HAHLCNCTYRWMTK-KDOFPFPSSA-N 2 1 340.471 3.231 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(SC)s1 ZINC000356304742 457562333 /nfs/dbraw/zinc/56/23/33/457562333.db2.gz PSBDXVTWTJVGHG-OAHLLOKOSA-N 2 1 341.590 3.318 20 0 EGADMP Cc1ccccc1[C@H]([C@@H](C)NCc1ncc(C[NH+](C)C)s1)[NH+](C)C ZINC000352737634 457570427 /nfs/dbraw/zinc/57/04/27/457570427.db2.gz KTKXVJJCXOUZNY-BEFAXECRSA-N 2 1 346.544 3.294 20 0 EGADMP C[C@H](C[NH2+][C@H]1CCc2c1cc(Br)cc2F)C[NH+](C)C ZINC000425943105 457657440 /nfs/dbraw/zinc/65/74/40/457657440.db2.gz PSGKDHCMYSIXLB-BMIGLBTASA-N 2 1 329.257 3.363 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCCOC[C@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000361338484 457699285 /nfs/dbraw/zinc/69/92/85/457699285.db2.gz FORIWIKPLCICKR-HMXCVIKNSA-N 2 1 346.515 3.072 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCCOC[C@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000361338484 457699284 /nfs/dbraw/zinc/69/92/84/457699284.db2.gz FORIWIKPLCICKR-HMXCVIKNSA-N 2 1 346.515 3.072 20 0 EGADMP FC(F)(F)c1ccc(OCCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000357844603 457709042 /nfs/dbraw/zinc/70/90/42/457709042.db2.gz GDMYVCQRIJSPSF-LSDHHAIUSA-N 2 1 343.393 3.086 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC000361455542 457737017 /nfs/dbraw/zinc/73/70/17/457737017.db2.gz DIKUFVHVXVPCFB-RLLQIKCJSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC000361455542 457737022 /nfs/dbraw/zinc/73/70/22/457737022.db2.gz DIKUFVHVXVPCFB-RLLQIKCJSA-N 2 1 328.500 3.446 20 0 EGADMP CCC[C@@H](C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000374990935 457746627 /nfs/dbraw/zinc/74/66/27/457746627.db2.gz OVMLMKUCAHOTSY-LEWJYISDSA-N 2 1 329.532 3.282 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccnn2C)c1 ZINC000375004302 457751857 /nfs/dbraw/zinc/75/18/57/457751857.db2.gz YCDJZFLAIFUYMM-UYAOXDASSA-N 2 1 338.499 3.312 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(-c2ccnn2C)c1 ZINC000375004302 457751864 /nfs/dbraw/zinc/75/18/64/457751864.db2.gz YCDJZFLAIFUYMM-UYAOXDASSA-N 2 1 338.499 3.312 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(-c2ccnn2C)c1 ZINC000375004302 457751872 /nfs/dbraw/zinc/75/18/72/457751872.db2.gz YCDJZFLAIFUYMM-UYAOXDASSA-N 2 1 338.499 3.312 20 0 EGADMP COc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC000426033297 457762043 /nfs/dbraw/zinc/76/20/43/457762043.db2.gz DXRAFCBABINHRA-MOPGFXCFSA-N 2 1 328.500 3.407 20 0 EGADMP COc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC000426033297 457762049 /nfs/dbraw/zinc/76/20/49/457762049.db2.gz DXRAFCBABINHRA-MOPGFXCFSA-N 2 1 328.500 3.407 20 0 EGADMP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)Nc1ccc(F)cc1 ZINC000443595007 457784540 /nfs/dbraw/zinc/78/45/40/457784540.db2.gz YILSNDSTKKQNQG-UHFFFAOYSA-N 2 1 347.478 3.352 20 0 EGADMP CCCc1csc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000426410959 457824331 /nfs/dbraw/zinc/82/43/31/457824331.db2.gz NZWQLLHSDWVUMW-UHFFFAOYSA-N 2 1 337.533 3.172 20 0 EGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000358177976 457839466 /nfs/dbraw/zinc/83/94/66/457839466.db2.gz YCGLXKLRSUKRDB-KRWDZBQOSA-N 2 1 348.535 3.008 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000361765348 457845713 /nfs/dbraw/zinc/84/57/13/457845713.db2.gz OTABHYACLHQTMH-XYJFISCASA-N 2 1 342.487 3.132 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000361765348 457845717 /nfs/dbraw/zinc/84/57/17/457845717.db2.gz OTABHYACLHQTMH-XYJFISCASA-N 2 1 342.487 3.132 20 0 EGADMP CCC(=CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC ZINC000361818505 457883752 /nfs/dbraw/zinc/88/37/52/457883752.db2.gz ZCSSIMRRIOZOAD-UHFFFAOYSA-N 2 1 349.563 3.388 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000358248810 457886208 /nfs/dbraw/zinc/88/62/08/457886208.db2.gz IBIRECPCGKXGBI-OXJNMPFZSA-N 2 1 337.467 3.369 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000358248810 457886213 /nfs/dbraw/zinc/88/62/13/457886213.db2.gz IBIRECPCGKXGBI-OXJNMPFZSA-N 2 1 337.467 3.369 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411516053 457908588 /nfs/dbraw/zinc/90/85/88/457908588.db2.gz JBHOWIOOEIILMB-FGTMMUONSA-N 2 1 343.515 3.281 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411516053 457908592 /nfs/dbraw/zinc/90/85/92/457908592.db2.gz JBHOWIOOEIILMB-FGTMMUONSA-N 2 1 343.515 3.281 20 0 EGADMP C[C@H]([NH2+]CCC(=O)NCC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411516490 457908874 /nfs/dbraw/zinc/90/88/74/457908874.db2.gz KCTQVOQHOZCBBO-PKOBYXMFSA-N 2 1 349.563 3.316 20 0 EGADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361888059 457932646 /nfs/dbraw/zinc/93/26/46/457932646.db2.gz HMAGZWOBRHAWHS-VQIMIIECSA-N 2 1 330.497 3.344 20 0 EGADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361888059 457932650 /nfs/dbraw/zinc/93/26/50/457932650.db2.gz HMAGZWOBRHAWHS-VQIMIIECSA-N 2 1 330.497 3.344 20 0 EGADMP C[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000361890246 457934217 /nfs/dbraw/zinc/93/42/17/457934217.db2.gz DRRGARURXHWQBI-FOIQADDNSA-N 2 1 346.421 3.252 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@]2(CCOC2)O1 ZINC000411658581 457942798 /nfs/dbraw/zinc/94/27/98/457942798.db2.gz CPJAKSXCQMUXRJ-NQIIRXRSSA-N 2 1 344.499 3.052 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@]2(CCOC2)O1 ZINC000411658581 457942805 /nfs/dbraw/zinc/94/28/05/457942805.db2.gz CPJAKSXCQMUXRJ-NQIIRXRSSA-N 2 1 344.499 3.052 20 0 EGADMP C[N@@H+](CCOc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000358339181 457943502 /nfs/dbraw/zinc/94/35/02/457943502.db2.gz XCBGPMYJIRLACH-ZDUSSCGKSA-N 2 1 332.366 3.038 20 0 EGADMP Cc1c([C@H](C)NCCCNc2ccccn2)nnn1-c1ccccc1 ZINC000361926531 457959530 /nfs/dbraw/zinc/95/95/30/457959530.db2.gz KMRWMOQRPUJANI-HNNXBMFYSA-N 2 1 336.443 3.124 20 0 EGADMP CO[C@@H]1CC[N@@H+](CC[C@@H](C)CC[NH+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000411808357 457984304 /nfs/dbraw/zinc/98/43/04/457984304.db2.gz SFAKPMNEOHMWIK-YCKXBTPASA-N 2 1 340.552 3.116 20 0 EGADMP CO[C@@H]1CC[NH+](CC[C@@H](C)CC[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000411808357 457984309 /nfs/dbraw/zinc/98/43/09/457984309.db2.gz SFAKPMNEOHMWIK-YCKXBTPASA-N 2 1 340.552 3.116 20 0 EGADMP CO[C@@H]1CC[NH+](CC[C@@H](C)CC[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000411808357 457984314 /nfs/dbraw/zinc/98/43/14/457984314.db2.gz SFAKPMNEOHMWIK-YCKXBTPASA-N 2 1 340.552 3.116 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000358449174 458010758 /nfs/dbraw/zinc/01/07/58/458010758.db2.gz SLGAPQPSEWUUDS-QYZOEREBSA-N 2 1 349.563 3.362 20 0 EGADMP c1[nH+]cn2c1C[C@H](c1nc(-c3cccc(C[NH+]4CCCC4)c3)no1)CC2 ZINC000371902792 458115234 /nfs/dbraw/zinc/11/52/34/458115234.db2.gz ASAQEJWPHRMOJK-QGZVFWFLSA-N 2 1 349.438 3.259 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CCCc4ccccc43)C2)CC1 ZINC000375906098 458118554 /nfs/dbraw/zinc/11/85/54/458118554.db2.gz OFVVMSWNHMDOBB-TZIWHRDSSA-N 2 1 327.516 3.164 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000435372424 458121964 /nfs/dbraw/zinc/12/19/64/458121964.db2.gz APVOTJXZOQUZPQ-WFASDCNBSA-N 2 1 332.879 3.312 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000435370023 458123298 /nfs/dbraw/zinc/12/32/98/458123298.db2.gz HIDQCQCKOSVZJN-SJORKVTESA-N 2 1 347.466 3.103 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cc2)cs1 ZINC000435376942 458125707 /nfs/dbraw/zinc/12/57/07/458125707.db2.gz WKZHRQOUOAJDBX-XJKSGUPXSA-N 2 1 331.485 3.200 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OCC(F)(F)F ZINC000435377612 458126033 /nfs/dbraw/zinc/12/60/33/458126033.db2.gz DLWZFWSYGBMQDO-GXTWGEPZSA-N 2 1 346.393 3.196 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OCC(F)(F)F ZINC000435377612 458126039 /nfs/dbraw/zinc/12/60/39/458126039.db2.gz DLWZFWSYGBMQDO-GXTWGEPZSA-N 2 1 346.393 3.196 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435385852 458132782 /nfs/dbraw/zinc/13/27/82/458132782.db2.gz RVCHTEJMELCWGY-WMZOPIPTSA-N 2 1 325.456 3.220 20 0 EGADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000428394343 458133532 /nfs/dbraw/zinc/13/35/32/458133532.db2.gz UKHDBQPTEHLHAL-CALCHBBNSA-N 2 1 329.488 3.402 20 0 EGADMP CC[N@@H+](Cc1ccc(OC)c(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000435391898 458136394 /nfs/dbraw/zinc/13/63/94/458136394.db2.gz UPQOPQXISXUZID-AWEZNQCLSA-N 2 1 341.293 3.422 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000358668905 458139306 /nfs/dbraw/zinc/13/93/06/458139306.db2.gz UBGMLTCHCFQMTK-QAPCUYQASA-N 2 1 335.923 3.377 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC000358668905 458139312 /nfs/dbraw/zinc/13/93/12/458139312.db2.gz UBGMLTCHCFQMTK-QAPCUYQASA-N 2 1 335.923 3.377 20 0 EGADMP COc1cc(Br)ccc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435430628 458144226 /nfs/dbraw/zinc/14/42/26/458144226.db2.gz DEBFKRIEMDLDKX-AWEZNQCLSA-N 2 1 327.266 3.032 20 0 EGADMP COc1cc(Br)ccc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435430628 458144234 /nfs/dbraw/zinc/14/42/34/458144234.db2.gz DEBFKRIEMDLDKX-AWEZNQCLSA-N 2 1 327.266 3.032 20 0 EGADMP c1nc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc(N2CCCC2)n1 ZINC000435585126 458165819 /nfs/dbraw/zinc/16/58/19/458165819.db2.gz PXQZKSPSAXPWDM-KRWDZBQOSA-N 2 1 329.492 3.286 20 0 EGADMP C[N@@H+](CCC(=O)Nc1cccc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435621459 458174024 /nfs/dbraw/zinc/17/40/24/458174024.db2.gz LNEYOUCJVSIQPV-QGZVFWFLSA-N 2 1 325.456 3.242 20 0 EGADMP C[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435627511 458177151 /nfs/dbraw/zinc/17/71/51/458177151.db2.gz RRXPIDJDFNDXLS-OAHLLOKOSA-N 2 1 334.851 3.006 20 0 EGADMP Cc1ncsc1C[N@@H+](CCc1ccc(C)cc1)C[C@H]1CC[NH2+]C1 ZINC000435737501 458193156 /nfs/dbraw/zinc/19/31/56/458193156.db2.gz IOHBKMYNKXZFFR-SFHVURJKSA-N 2 1 329.513 3.414 20 0 EGADMP CC(C)C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(Br)c1 ZINC000358755210 458195451 /nfs/dbraw/zinc/19/54/51/458195451.db2.gz NTWDOPYKGVWNAE-CVEARBPZSA-N 2 1 343.309 3.048 20 0 EGADMP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000372285014 458264264 /nfs/dbraw/zinc/26/42/64/458264264.db2.gz HTYGJIAGWBVLRA-LJQANCHMSA-N 2 1 338.455 3.056 20 0 EGADMP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000372285014 458264273 /nfs/dbraw/zinc/26/42/73/458264273.db2.gz HTYGJIAGWBVLRA-LJQANCHMSA-N 2 1 338.455 3.056 20 0 EGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(Cl)cn3)CC2)C[C@H](C)O1 ZINC000376486906 458315905 /nfs/dbraw/zinc/31/59/05/458315905.db2.gz VGUYGFDKCCLMJI-GJZGRUSLSA-N 2 1 337.895 3.056 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000459383085 458353383 /nfs/dbraw/zinc/35/33/83/458353383.db2.gz FBVDYHRULUBBQR-HUUCEWRRSA-N 2 1 330.501 3.298 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000459383085 458353384 /nfs/dbraw/zinc/35/33/84/458353384.db2.gz FBVDYHRULUBBQR-HUUCEWRRSA-N 2 1 330.501 3.298 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000459383085 458353386 /nfs/dbraw/zinc/35/33/86/458353386.db2.gz FBVDYHRULUBBQR-HUUCEWRRSA-N 2 1 330.501 3.298 20 0 EGADMP CC(C)(C)C1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000459420433 458365278 /nfs/dbraw/zinc/36/52/78/458365278.db2.gz BQBGTJXWIVZODZ-OAHAVBBTSA-N 2 1 330.516 3.284 20 0 EGADMP CC(C)(C)C1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000459420433 458365282 /nfs/dbraw/zinc/36/52/82/458365282.db2.gz BQBGTJXWIVZODZ-OAHAVBBTSA-N 2 1 330.516 3.284 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH+](CC)CC)C2)cc1 ZINC000437214553 458435910 /nfs/dbraw/zinc/43/59/10/458435910.db2.gz NOWDZIVUQCBCGO-FQEVSTJZSA-N 2 1 345.531 3.475 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc2cc(OC)ccc2c1 ZINC000423498292 458443053 /nfs/dbraw/zinc/44/30/53/458443053.db2.gz BPRXPGMMHNDVBU-VQTJNVASSA-N 2 1 328.456 3.268 20 0 EGADMP c1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)CCC3)cc1 ZINC000423501803 458444897 /nfs/dbraw/zinc/44/48/97/458444897.db2.gz DUGZBCFMTYEXIG-HOTGVXAUSA-N 2 1 343.496 3.156 20 0 EGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423503446 458444961 /nfs/dbraw/zinc/44/49/61/458444961.db2.gz FQOYTSXMCJQMJA-RHSMWYFYSA-N 2 1 345.512 3.456 20 0 EGADMP CSc1ccccc1[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423505561 458446697 /nfs/dbraw/zinc/44/66/97/458446697.db2.gz HECJKRGPIZKPMH-GTPINHCMSA-N 2 1 333.545 3.276 20 0 EGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423532044 458453349 /nfs/dbraw/zinc/45/33/49/458453349.db2.gz QUKMWHPGZAKWTI-ACJLOTCBSA-N 2 1 330.476 3.139 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000430548262 458459688 /nfs/dbraw/zinc/45/96/88/458459688.db2.gz BUBBVKQACYNLPY-AEFFLSMTSA-N 2 1 325.456 3.220 20 0 EGADMP C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C1CC[NH2+]CC1 ZINC000430663933 458477067 /nfs/dbraw/zinc/47/70/67/458477067.db2.gz KPQZUXDRXLTPPN-UHFFFAOYSA-N 2 1 337.467 3.366 20 0 EGADMP C[C@@H]1C[C@@H](CCNC(=O)C2([NH3+])CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000423891729 458507108 /nfs/dbraw/zinc/50/71/08/458507108.db2.gz BRYKANIELGNFDU-IEBWSBKVSA-N 2 1 343.515 3.065 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)Cc2cccc(F)c2)C[C@@H]1c1ccccc1 ZINC000453219991 458521545 /nfs/dbraw/zinc/52/15/45/458521545.db2.gz NNKCIOVATRYVBP-PWRODBHTSA-N 2 1 342.458 3.154 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)Cc2cccc(F)c2)C[C@@H]1c1ccccc1 ZINC000453219991 458521549 /nfs/dbraw/zinc/52/15/49/458521549.db2.gz NNKCIOVATRYVBP-PWRODBHTSA-N 2 1 342.458 3.154 20 0 EGADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)n1 ZINC000431084758 458526300 /nfs/dbraw/zinc/52/63/00/458526300.db2.gz HKTSGGGVGGXBQH-FQEVSTJZSA-N 2 1 340.471 3.134 20 0 EGADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@]3(CCCc4ccccc43)C2)n1 ZINC000431084758 458526301 /nfs/dbraw/zinc/52/63/01/458526301.db2.gz HKTSGGGVGGXBQH-FQEVSTJZSA-N 2 1 340.471 3.134 20 0 EGADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)n1 ZINC000431084760 458526367 /nfs/dbraw/zinc/52/63/67/458526367.db2.gz HKTSGGGVGGXBQH-HXUWFJFHSA-N 2 1 340.471 3.134 20 0 EGADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@]3(CCCc4ccccc43)C2)n1 ZINC000431084760 458526371 /nfs/dbraw/zinc/52/63/71/458526371.db2.gz HKTSGGGVGGXBQH-HXUWFJFHSA-N 2 1 340.471 3.134 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ccc(F)cc3F)C2)CC1 ZINC000377830975 458545628 /nfs/dbraw/zinc/54/56/28/458545628.db2.gz ITFBJDIOSAOQLH-NVXWUHKLSA-N 2 1 337.458 3.126 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccc(F)cc3F)C2)CC1 ZINC000377830975 458545632 /nfs/dbraw/zinc/54/56/32/458545632.db2.gz ITFBJDIOSAOQLH-NVXWUHKLSA-N 2 1 337.458 3.126 20 0 EGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000373602674 458548415 /nfs/dbraw/zinc/54/84/15/458548415.db2.gz GDSLVQSVYQXRTK-KBMXLJTQSA-N 2 1 342.405 3.089 20 0 EGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000373602674 458548420 /nfs/dbraw/zinc/54/84/20/458548420.db2.gz GDSLVQSVYQXRTK-KBMXLJTQSA-N 2 1 342.405 3.089 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000461225975 458552691 /nfs/dbraw/zinc/55/26/91/458552691.db2.gz KXDAWVGKSBVFOC-LMMKCTJWSA-N 2 1 348.535 3.097 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H](CO)Cc1ccccc1 ZINC000438358094 458570056 /nfs/dbraw/zinc/57/00/56/458570056.db2.gz ZVXLOSRSMHEXNC-NRFANRHFSA-N 2 1 340.511 3.338 20 0 EGADMP Cc1ccc(N2CCC([NH2+][C@H]3CCc4ccccc4OC3)CC2)[nH+]c1 ZINC000493820461 458577742 /nfs/dbraw/zinc/57/77/42/458577742.db2.gz ORLYJKRSQKCMHV-IBGZPJMESA-N 2 1 337.467 3.342 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438552977 458597369 /nfs/dbraw/zinc/59/73/69/458597369.db2.gz PSXWSFZJSHJDMC-NSHGMRRFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000438552977 458597375 /nfs/dbraw/zinc/59/73/75/458597375.db2.gz PSXWSFZJSHJDMC-NSHGMRRFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000438552977 458597376 /nfs/dbraw/zinc/59/73/76/458597376.db2.gz PSXWSFZJSHJDMC-NSHGMRRFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000493941491 458603918 /nfs/dbraw/zinc/60/39/18/458603918.db2.gz LCZMICFKHAAOEK-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000493941491 458603925 /nfs/dbraw/zinc/60/39/25/458603925.db2.gz LCZMICFKHAAOEK-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000493941491 458603931 /nfs/dbraw/zinc/60/39/31/458603931.db2.gz LCZMICFKHAAOEK-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302357 458610961 /nfs/dbraw/zinc/61/09/61/458610961.db2.gz ZGUSEOSXUNOACV-HNNXBMFYSA-N 2 1 347.528 3.201 20 0 EGADMP C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@H]1CCCC[NH+]1C ZINC000493988816 458611990 /nfs/dbraw/zinc/61/19/90/458611990.db2.gz LLBTZIAZSWIFKX-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CC[C@H]1CCCC[N@@H+]1C ZINC000493988816 458611993 /nfs/dbraw/zinc/61/19/93/458611993.db2.gz LLBTZIAZSWIFKX-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP Cc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(-c2ccnn2C)c1 ZINC000424371288 458628227 /nfs/dbraw/zinc/62/82/27/458628227.db2.gz DKVMEMXBBDSTEZ-QGZVFWFLSA-N 2 1 338.499 3.360 20 0 EGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000424371390 458628278 /nfs/dbraw/zinc/62/82/78/458628278.db2.gz GEMMSXAMUGEQDX-QLFBSQMISA-N 2 1 327.241 3.435 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000439000822 458640770 /nfs/dbraw/zinc/64/07/70/458640770.db2.gz XGDVDMSODFTUMV-RDJZCZTQSA-N 2 1 347.503 3.425 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000439000822 458640775 /nfs/dbraw/zinc/64/07/75/458640775.db2.gz XGDVDMSODFTUMV-RDJZCZTQSA-N 2 1 347.503 3.425 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000439000822 458640779 /nfs/dbraw/zinc/64/07/79/458640779.db2.gz XGDVDMSODFTUMV-RDJZCZTQSA-N 2 1 347.503 3.425 20 0 EGADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000456355059 458642442 /nfs/dbraw/zinc/64/24/42/458642442.db2.gz PUXQXQZJZAZQTE-FQEVSTJZSA-N 2 1 343.515 3.229 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+]CC[N@H+](C)C2CCCC2)cc1OC ZINC000502255721 458642535 /nfs/dbraw/zinc/64/25/35/458642535.db2.gz NLQOLTDVTHABHF-INIZCTEOSA-N 2 1 334.504 3.407 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+]CC[N@@H+](C)C2CCCC2)cc1OC ZINC000502255721 458642545 /nfs/dbraw/zinc/64/25/45/458642545.db2.gz NLQOLTDVTHABHF-INIZCTEOSA-N 2 1 334.504 3.407 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470977475 458671808 /nfs/dbraw/zinc/67/18/08/458671808.db2.gz XMXTXWLJOAZZEP-HOCLYGCPSA-N 2 1 349.906 3.331 20 0 EGADMP CC[C@H]1CN(CC[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000546810624 458677991 /nfs/dbraw/zinc/67/79/91/458677991.db2.gz SXJPDIPWQSRTSB-LEWJYISDSA-N 2 1 329.532 3.457 20 0 EGADMP CC[C@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000546810624 458677996 /nfs/dbraw/zinc/67/79/96/458677996.db2.gz SXJPDIPWQSRTSB-LEWJYISDSA-N 2 1 329.532 3.457 20 0 EGADMP CC[C@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000546810624 458678004 /nfs/dbraw/zinc/67/80/04/458678004.db2.gz SXJPDIPWQSRTSB-LEWJYISDSA-N 2 1 329.532 3.457 20 0 EGADMP CC[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000502999719 458687366 /nfs/dbraw/zinc/68/73/66/458687366.db2.gz XAHOSAIZHWIVHO-RBBKRZOGSA-N 2 1 338.495 3.407 20 0 EGADMP CC[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000502999719 458687374 /nfs/dbraw/zinc/68/73/74/458687374.db2.gz XAHOSAIZHWIVHO-RBBKRZOGSA-N 2 1 338.495 3.407 20 0 EGADMP CC[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000502999718 458687679 /nfs/dbraw/zinc/68/76/79/458687679.db2.gz XAHOSAIZHWIVHO-IRLDBZIGSA-N 2 1 338.495 3.407 20 0 EGADMP CC[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000502999718 458687682 /nfs/dbraw/zinc/68/76/82/458687682.db2.gz XAHOSAIZHWIVHO-IRLDBZIGSA-N 2 1 338.495 3.407 20 0 EGADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)cc2)CC1 ZINC000494508819 458691099 /nfs/dbraw/zinc/69/10/99/458691099.db2.gz BWCJLHJIKQTMSV-HXUWFJFHSA-N 2 1 341.499 3.484 20 0 EGADMP c1ccc2c(c1)CCN2C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000503371486 458704646 /nfs/dbraw/zinc/70/46/46/458704646.db2.gz BLVTULOONVJSAZ-UHFFFAOYSA-N 2 1 327.516 3.390 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1csc(Cl)c1Cl ZINC000432250917 458705160 /nfs/dbraw/zinc/70/51/60/458705160.db2.gz OLEZNZUCQHIIPE-GFCCVEGCSA-N 2 1 337.316 3.381 20 0 EGADMP Brc1ccc2[nH+]ccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000503536968 458713034 /nfs/dbraw/zinc/71/30/34/458713034.db2.gz LOGAEWCJGHYFOX-UONOGXRCSA-N 2 1 346.272 3.458 20 0 EGADMP Brc1ccc2[nH+]ccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000503536968 458713037 /nfs/dbraw/zinc/71/30/37/458713037.db2.gz LOGAEWCJGHYFOX-UONOGXRCSA-N 2 1 346.272 3.458 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(-c3ccncc3)c2)CCCO1 ZINC000432357967 458723339 /nfs/dbraw/zinc/72/33/39/458723339.db2.gz NPICTDHDXNSUDI-SFHVURJKSA-N 2 1 339.483 3.339 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CCCO1 ZINC000432424613 458737957 /nfs/dbraw/zinc/73/79/57/458737957.db2.gz PPIZAQMCXMYOER-HLAWJBBLSA-N 2 1 330.516 3.488 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CCCO1 ZINC000432424613 458737962 /nfs/dbraw/zinc/73/79/62/458737962.db2.gz PPIZAQMCXMYOER-HLAWJBBLSA-N 2 1 330.516 3.488 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C12CCCCC2 ZINC000432430664 458739322 /nfs/dbraw/zinc/73/93/22/458739322.db2.gz UDXNGSVNSGHPTB-GUDVDZBRSA-N 2 1 338.536 3.205 20 0 EGADMP CCOc1ccc(C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)cc1F ZINC000494952877 458772666 /nfs/dbraw/zinc/77/26/66/458772666.db2.gz PIWOTDHBTOOCQQ-KRWDZBQOSA-N 2 1 338.467 3.157 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(Br)cc2)C1 ZINC000464788666 458773741 /nfs/dbraw/zinc/77/37/41/458773741.db2.gz LPBVOCBUONGIPD-AWEZNQCLSA-N 2 1 341.293 3.102 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(Br)cc2)C1 ZINC000464788666 458773746 /nfs/dbraw/zinc/77/37/46/458773746.db2.gz LPBVOCBUONGIPD-AWEZNQCLSA-N 2 1 341.293 3.102 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000464788666 458773751 /nfs/dbraw/zinc/77/37/51/458773751.db2.gz LPBVOCBUONGIPD-AWEZNQCLSA-N 2 1 341.293 3.102 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(Br)cc2)C1 ZINC000464788666 458773757 /nfs/dbraw/zinc/77/37/57/458773757.db2.gz LPBVOCBUONGIPD-AWEZNQCLSA-N 2 1 341.293 3.102 20 0 EGADMP C[N@@H+](CCC(=O)Nc1ccccc1-n1ccnc1)C1CCCCC1 ZINC000547732179 458780787 /nfs/dbraw/zinc/78/07/87/458780787.db2.gz WLZIXIPETIIWGH-UHFFFAOYSA-N 2 1 326.444 3.465 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000530630416 458802391 /nfs/dbraw/zinc/80/23/91/458802391.db2.gz IJDWXIYFYRLZOO-UHFFFAOYSA-N 2 1 337.895 3.331 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000530630416 458802399 /nfs/dbraw/zinc/80/23/99/458802399.db2.gz IJDWXIYFYRLZOO-UHFFFAOYSA-N 2 1 337.895 3.331 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)cc1)C1CC1 ZINC000457119120 458874154 /nfs/dbraw/zinc/87/41/54/458874154.db2.gz NAZDMLGCFZOMKT-HXUWFJFHSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1)C1CC1 ZINC000457119120 458874161 /nfs/dbraw/zinc/87/41/61/458874161.db2.gz NAZDMLGCFZOMKT-HXUWFJFHSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1)C1CC1 ZINC000457119120 458874168 /nfs/dbraw/zinc/87/41/68/458874168.db2.gz NAZDMLGCFZOMKT-HXUWFJFHSA-N 2 1 343.515 3.226 20 0 EGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000474477755 458888324 /nfs/dbraw/zinc/88/83/24/458888324.db2.gz NNTDXYNGFCTYFW-FPOVZHCZSA-N 2 1 330.516 3.488 20 0 EGADMP CCOC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000495736036 458934086 /nfs/dbraw/zinc/93/40/86/458934086.db2.gz ZPZGGVRYWHNLQD-MOPGFXCFSA-N 2 1 345.487 3.032 20 0 EGADMP CCOC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000495736036 458934093 /nfs/dbraw/zinc/93/40/93/458934093.db2.gz ZPZGGVRYWHNLQD-MOPGFXCFSA-N 2 1 345.487 3.032 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441397236 458935238 /nfs/dbraw/zinc/93/52/38/458935238.db2.gz TUIDJGZMBVXJPH-ZWOKBUDYSA-N 2 1 341.499 3.271 20 0 EGADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000531677709 458959825 /nfs/dbraw/zinc/95/98/25/458959825.db2.gz QQWCDBJNVVTVHD-WMZOPIPTSA-N 2 1 329.513 3.387 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000566615603 458970121 /nfs/dbraw/zinc/97/01/21/458970121.db2.gz RSMWNLMNMQBWDG-MRXNPFEDSA-N 2 1 335.467 3.173 20 0 EGADMP CC[C@@H](C[C@@H](C)CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000531984154 459012821 /nfs/dbraw/zinc/01/28/21/459012821.db2.gz BBUGUZBSBKLHQC-APWZRJJASA-N 2 1 336.495 3.219 20 0 EGADMP C[N@H+]1CCN(Cc2nccn2Cc2ccccc2)CC12CCCCC2 ZINC000566922939 459022830 /nfs/dbraw/zinc/02/28/30/459022830.db2.gz FAPRBIGQOPMSSJ-UHFFFAOYSA-N 2 1 338.499 3.382 20 0 EGADMP FC(F)C1CCC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000442837682 459044849 /nfs/dbraw/zinc/04/48/49/459044849.db2.gz OGJLQBRBKMCIET-UHFFFAOYSA-N 2 1 330.463 3.435 20 0 EGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc2c(c1)CCCC2 ZINC000442878120 459049944 /nfs/dbraw/zinc/04/99/44/459049944.db2.gz SGTJKGYEWVCARL-QGZVFWFLSA-N 2 1 329.532 3.242 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3C[C@H](C)C[C@H](C)C3)CC2)CC1 ZINC000567121463 459052044 /nfs/dbraw/zinc/05/20/44/459052044.db2.gz HKISCJCFABHUNZ-DZFIZOCASA-N 2 1 349.563 3.124 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cs2)cc1 ZINC000442926317 459061162 /nfs/dbraw/zinc/06/11/62/459061162.db2.gz YIHNIOIYVBKQLU-AWEZNQCLSA-N 2 1 331.485 3.380 20 0 EGADMP CC[N@@H+](CC(=O)N[C@H]1CCCC[C@H]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999357 459064207 /nfs/dbraw/zinc/06/42/07/459064207.db2.gz BNWFXQUQPXBSEU-XLIONFOSSA-N 2 1 345.531 3.265 20 0 EGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000479460730 459142293 /nfs/dbraw/zinc/14/22/93/459142293.db2.gz ZQWDZARJTDKYED-CEWLAPEOSA-N 2 1 328.500 3.205 20 0 EGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000479460730 459142298 /nfs/dbraw/zinc/14/22/98/459142298.db2.gz ZQWDZARJTDKYED-CEWLAPEOSA-N 2 1 328.500 3.205 20 0 EGADMP C[NH+](C)CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000558322766 459146796 /nfs/dbraw/zinc/14/67/96/459146796.db2.gz XGEYSESCNUNNAI-IHWFROFDSA-N 2 1 343.515 3.030 20 0 EGADMP Cc1cc(F)ccc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000521805112 459177901 /nfs/dbraw/zinc/17/79/01/459177901.db2.gz VEEXIYCXKWTYJR-GOSISDBHSA-N 2 1 347.503 3.274 20 0 EGADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000578349619 459186161 /nfs/dbraw/zinc/18/61/61/459186161.db2.gz IRTDKDIUMXKCLY-FXAWDEMLSA-N 2 1 348.531 3.145 20 0 EGADMP Cc1cc(C)cc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000533271418 459210971 /nfs/dbraw/zinc/21/09/71/459210971.db2.gz WHQCLIRNGKHDLM-UHFFFAOYSA-N 2 1 331.504 3.294 20 0 EGADMP Cc1cc(C)cc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000533271418 459210974 /nfs/dbraw/zinc/21/09/74/459210974.db2.gz WHQCLIRNGKHDLM-UHFFFAOYSA-N 2 1 331.504 3.294 20 0 EGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000480702328 459214299 /nfs/dbraw/zinc/21/42/99/459214299.db2.gz VOZXXECGMGBTSY-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000480702328 459214307 /nfs/dbraw/zinc/21/43/07/459214307.db2.gz VOZXXECGMGBTSY-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000480702328 459214313 /nfs/dbraw/zinc/21/43/13/459214313.db2.gz VOZXXECGMGBTSY-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP O[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000559071158 459234754 /nfs/dbraw/zinc/23/47/54/459234754.db2.gz LSUZCQIEKSPFBO-FPOVZHCZSA-N 2 1 348.506 3.317 20 0 EGADMP O[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000559071159 459235253 /nfs/dbraw/zinc/23/52/53/459235253.db2.gz LSUZCQIEKSPFBO-PZJWPPBQSA-N 2 1 348.506 3.317 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1C ZINC000595081308 459239957 /nfs/dbraw/zinc/23/99/57/459239957.db2.gz RKDDITMMHNLCCD-LSTDLKDCSA-N 2 1 336.520 3.351 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1C ZINC000595081308 459239958 /nfs/dbraw/zinc/23/99/58/459239958.db2.gz RKDDITMMHNLCCD-LSTDLKDCSA-N 2 1 336.520 3.351 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000481493802 459257323 /nfs/dbraw/zinc/25/73/23/459257323.db2.gz KYCHIUKNLCOTQN-LJQANCHMSA-N 2 1 345.531 3.106 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496677886 459283133 /nfs/dbraw/zinc/28/31/33/459283133.db2.gz NPTPNVXOEHTHIT-ULQDDVLXSA-N 2 1 341.540 3.390 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000523775260 459331812 /nfs/dbraw/zinc/33/18/12/459331812.db2.gz HFVCCYCNOWBYRA-HXUWFJFHSA-N 2 1 343.515 3.234 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](C)C(C)(C)C3)CC2)CC1 ZINC000568762303 459341416 /nfs/dbraw/zinc/34/14/16/459341416.db2.gz ARCRKCXVNSXKJT-QGZVFWFLSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000524156184 459348953 /nfs/dbraw/zinc/34/89/53/459348953.db2.gz RBUQVTMWZGQSQS-UHFFFAOYSA-N 2 1 348.487 3.236 20 0 EGADMP CCC[NH+](CCC)CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483201302 459349462 /nfs/dbraw/zinc/34/94/62/459349462.db2.gz QFQQBIVUEVLBFR-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000496957067 459385096 /nfs/dbraw/zinc/38/50/96/459385096.db2.gz PYLIFZWILXSOJM-TWMKSMIVSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000497174654 459472250 /nfs/dbraw/zinc/47/22/50/459472250.db2.gz AHOFCHGWZIVUHW-JKSUJKDBSA-N 2 1 339.524 3.286 20 0 EGADMP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000497174654 459472254 /nfs/dbraw/zinc/47/22/54/459472254.db2.gz AHOFCHGWZIVUHW-JKSUJKDBSA-N 2 1 339.524 3.286 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C4CC4)cc3)C2)CC1 ZINC000583069863 459477453 /nfs/dbraw/zinc/47/74/53/459477453.db2.gz NBLWOHNBXZTDMN-OAQYLSRUSA-N 2 1 327.516 3.164 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000497198575 459482150 /nfs/dbraw/zinc/48/21/50/459482150.db2.gz YHBQGCNAVYUPEW-TWMKSMIVSA-N 2 1 339.524 3.142 20 0 EGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497238477 459498554 /nfs/dbraw/zinc/49/85/54/459498554.db2.gz YJQIKPRTLJGXKM-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)C1 ZINC000497247267 459501749 /nfs/dbraw/zinc/50/17/49/459501749.db2.gz ZQDQACPWKDIQTE-DLBZAZTESA-N 2 1 341.540 3.390 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000497303446 459521401 /nfs/dbraw/zinc/52/14/01/459521401.db2.gz AYWYOXQYLWMWRX-BRWVUGGUSA-N 2 1 339.524 3.144 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000497317569 459526344 /nfs/dbraw/zinc/52/63/44/459526344.db2.gz YJQIKPRTLJGXKM-BBWFWOEESA-N 2 1 339.524 3.096 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000497317570 459526660 /nfs/dbraw/zinc/52/66/60/459526660.db2.gz YJQIKPRTLJGXKM-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000572929194 459596264 /nfs/dbraw/zinc/59/62/64/459596264.db2.gz SAYCZRKCMGXJFA-ZWJWXYIHSA-N 2 1 332.536 3.402 20 0 EGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000572929194 459596272 /nfs/dbraw/zinc/59/62/72/459596272.db2.gz SAYCZRKCMGXJFA-ZWJWXYIHSA-N 2 1 332.536 3.402 20 0 EGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])c2ccccc2C)C1 ZINC000583869639 459609664 /nfs/dbraw/zinc/60/96/64/459609664.db2.gz BTTSDZFCAIRTNU-SJLPKXTDSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])c2ccccc2C)C1 ZINC000583869639 459609665 /nfs/dbraw/zinc/60/96/65/459609665.db2.gz BTTSDZFCAIRTNU-SJLPKXTDSA-N 2 1 331.504 3.012 20 0 EGADMP Cc1cc(Br)cc2c1[C@H]([NH2+]CCc1c[nH+]cn1C)CC2 ZINC000583924815 459619874 /nfs/dbraw/zinc/61/98/74/459619874.db2.gz DIAHEZCGUXTIHE-OAHLLOKOSA-N 2 1 334.261 3.311 20 0 EGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@H]3CCSC3)cc2)C[C@H]1C ZINC000543414866 459654814 /nfs/dbraw/zinc/65/48/14/459654814.db2.gz CJYXXQSZDWXACX-SCTDSRPQSA-N 2 1 348.556 3.291 20 0 EGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000573315545 459658591 /nfs/dbraw/zinc/65/85/91/459658591.db2.gz ANEAKMIAIFKUEG-RTBURBONSA-N 2 1 338.455 3.084 20 0 EGADMP CC(C)C[N@@H+]1CCO[C@@H](CNCc2ccsc2C(F)(F)F)C1 ZINC000527631215 459677240 /nfs/dbraw/zinc/67/72/40/459677240.db2.gz KLBYNHPDTFAANM-ZDUSSCGKSA-N 2 1 336.423 3.213 20 0 EGADMP CC(C)C[N@H+]1CCO[C@@H](CNCc2ccsc2C(F)(F)F)C1 ZINC000527631215 459677243 /nfs/dbraw/zinc/67/72/43/459677243.db2.gz KLBYNHPDTFAANM-ZDUSSCGKSA-N 2 1 336.423 3.213 20 0 EGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCN(C(C)(C)C)C3=O)CC2)C1 ZINC000584231632 459686540 /nfs/dbraw/zinc/68/65/40/459686540.db2.gz GYUUROZYJWBENL-NXHRZFHOSA-N 2 1 335.536 3.019 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000562987718 459686636 /nfs/dbraw/zinc/68/66/36/459686636.db2.gz JVXDXSRRPIOVRP-ZDUSSCGKSA-N 2 1 334.851 3.099 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2CC[NH2+][C@@H]2CC)c1 ZINC000563090423 459714255 /nfs/dbraw/zinc/71/42/55/459714255.db2.gz NVFVHRUAHIDILF-VQTJNVASSA-N 2 1 345.531 3.313 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1)C(C)C ZINC000563115204 459717620 /nfs/dbraw/zinc/71/76/20/459717620.db2.gz NUYXAFCITFMRSS-PKOBYXMFSA-N 2 1 331.504 3.164 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1OCC(F)(F)F ZINC000584358999 459718889 /nfs/dbraw/zinc/71/88/89/459718889.db2.gz NSOHIMYMFPJUFN-JSGCOSHPSA-N 2 1 346.393 3.338 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1OCC(F)(F)F ZINC000584358999 459718890 /nfs/dbraw/zinc/71/88/90/459718890.db2.gz NSOHIMYMFPJUFN-JSGCOSHPSA-N 2 1 346.393 3.338 20 0 EGADMP CC(C)(C)[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1cccs1 ZINC000563152564 459724716 /nfs/dbraw/zinc/72/47/16/459724716.db2.gz NVGGNWKVPXECCZ-LUXYFRNMSA-N 2 1 349.544 3.011 20 0 EGADMP CC(C)(C)[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1cccs1 ZINC000563152564 459724719 /nfs/dbraw/zinc/72/47/19/459724719.db2.gz NVGGNWKVPXECCZ-LUXYFRNMSA-N 2 1 349.544 3.011 20 0 EGADMP C/C(=C\c1ccccc1)C[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000501877007 459750089 /nfs/dbraw/zinc/75/00/89/459750089.db2.gz WGOWMONLOMEHIP-LVZFUZTISA-N 2 1 329.532 3.438 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(F)c1 ZINC000544422499 459757810 /nfs/dbraw/zinc/75/78/10/459757810.db2.gz WARUIPYUFSNAGU-HZPDHXFCSA-N 2 1 347.478 3.315 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(F)c1 ZINC000544422499 459757818 /nfs/dbraw/zinc/75/78/18/459757818.db2.gz WARUIPYUFSNAGU-HZPDHXFCSA-N 2 1 347.478 3.315 20 0 EGADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574565347 459834633 /nfs/dbraw/zinc/83/46/33/459834633.db2.gz QQJFIFOAUUDTNQ-RCLSDMTESA-N 2 1 332.532 3.499 20 0 EGADMP C[NH+](CCCNC(=O)CC[N@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000546016067 459887884 /nfs/dbraw/zinc/88/78/84/459887884.db2.gz KAFPANFHBUYMIM-UHFFFAOYSA-N 2 1 345.531 3.279 20 0 EGADMP C[NH+](CCCNC(=O)CC[N@@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000546016067 459887889 /nfs/dbraw/zinc/88/78/89/459887889.db2.gz KAFPANFHBUYMIM-UHFFFAOYSA-N 2 1 345.531 3.279 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)CC[N@H+]1C ZINC000593723569 459964291 /nfs/dbraw/zinc/96/42/91/459964291.db2.gz YNFFOBXLIKVFTL-BLIXFSHQSA-N 2 1 346.515 3.358 20 0 EGADMP OCCCSCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602539599 459988254 /nfs/dbraw/zinc/98/82/54/459988254.db2.gz RSNZDXCVXFFOCB-IEBWSBKVSA-N 2 1 334.529 3.060 20 0 EGADMP OCCCSCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602539599 459988259 /nfs/dbraw/zinc/98/82/59/459988259.db2.gz RSNZDXCVXFFOCB-IEBWSBKVSA-N 2 1 334.529 3.060 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(C(=O)OC)cs2)c1 ZINC000602543646 459990747 /nfs/dbraw/zinc/99/07/47/459990747.db2.gz FFKBQGUKBWYYGN-UHFFFAOYSA-N 2 1 332.469 3.276 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)[C@H]1c1cccs1 ZINC000621652063 459997095 /nfs/dbraw/zinc/99/70/95/459997095.db2.gz VCSFESGOYSPGQX-MDZRGWNJSA-N 2 1 349.544 3.027 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cncc(Br)c2)C1 ZINC000576122979 460076273 /nfs/dbraw/zinc/07/62/73/460076273.db2.gz VPEWGGYDZUNGPE-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cncc(Br)c2)C1 ZINC000576122979 460076278 /nfs/dbraw/zinc/07/62/78/460076278.db2.gz VPEWGGYDZUNGPE-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)o1 ZINC000618661313 460112209 /nfs/dbraw/zinc/11/22/09/460112209.db2.gz PZGMLDAVUDHBJS-INIZCTEOSA-N 2 1 347.503 3.258 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1C ZINC000598988696 460118499 /nfs/dbraw/zinc/11/84/99/460118499.db2.gz QQROEKKYDHVCTI-KRWDZBQOSA-N 2 1 347.503 3.020 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)Cc2ccccc2)CC1 ZINC000576390100 460131191 /nfs/dbraw/zinc/13/11/91/460131191.db2.gz HCGHPKYVTCOPPW-PGRDOPGGSA-N 2 1 338.495 3.405 20 0 EGADMP COC(=O)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000589743162 460134802 /nfs/dbraw/zinc/13/48/02/460134802.db2.gz AALIKDQBITYHEK-MJGOQNOKSA-N 2 1 344.499 3.363 20 0 EGADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000622550164 460276374 /nfs/dbraw/zinc/27/63/74/460276374.db2.gz ACUUSIMHSXGGSC-LJQANCHMSA-N 2 1 335.536 3.118 20 0 EGADMP FC(F)(F)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000603516916 460314736 /nfs/dbraw/zinc/31/47/36/460314736.db2.gz GBFTTWDKSFWVAP-KRWDZBQOSA-N 2 1 342.405 3.438 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-c3c[nH]cn3)cc2)C[C@@H]1C ZINC000631442028 460380930 /nfs/dbraw/zinc/38/09/30/460380930.db2.gz UPMZECLTNLJYDB-YOEHRIQHSA-N 2 1 326.444 3.022 20 0 EGADMP COC[C@H](C)[N@H+](CCCc1c[nH+]cn1C)[C@@H]1CCc2ccccc21 ZINC000626133473 460387974 /nfs/dbraw/zinc/38/79/74/460387974.db2.gz OCRMGLZTPIXWNM-OXJNMPFZSA-N 2 1 327.472 3.377 20 0 EGADMP COC[C@H](C)[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1CCc2ccccc21 ZINC000626133473 460387978 /nfs/dbraw/zinc/38/79/78/460387978.db2.gz OCRMGLZTPIXWNM-OXJNMPFZSA-N 2 1 327.472 3.377 20 0 EGADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)C(C)(C)C ZINC000604774236 460478061 /nfs/dbraw/zinc/47/80/61/460478061.db2.gz KFYGEBQPUHTLAN-ZWKOTPCHSA-N 2 1 331.504 3.138 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(OC(F)F)c1 ZINC000634732825 460497340 /nfs/dbraw/zinc/49/73/40/460497340.db2.gz PTUHDGSFMKUBSZ-CYBMUJFWSA-N 2 1 328.403 3.164 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000631720261 460531773 /nfs/dbraw/zinc/53/17/73/460531773.db2.gz RLOIJCYTXTZCCK-RKOFLFEYSA-N 2 1 342.405 3.083 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000631720261 460531777 /nfs/dbraw/zinc/53/17/77/460531777.db2.gz RLOIJCYTXTZCCK-RKOFLFEYSA-N 2 1 342.405 3.083 20 0 EGADMP CC(C)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000601477136 460818357 /nfs/dbraw/zinc/81/83/57/460818357.db2.gz DWYQYYUSAKFHMI-HXUWFJFHSA-N 2 1 343.515 3.051 20 0 EGADMP CC(C)c1ccc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000601477136 460818361 /nfs/dbraw/zinc/81/83/61/460818361.db2.gz DWYQYYUSAKFHMI-HXUWFJFHSA-N 2 1 343.515 3.051 20 0 EGADMP CC(=O)N1CC[C@H](NC[C@@H]2CC[N@@H+]2C2CCCCC2)c2ccccc21 ZINC000624078154 460848241 /nfs/dbraw/zinc/84/82/41/460848241.db2.gz UPEFDIKLILOZER-ICSRJNTNSA-N 2 1 341.499 3.481 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000629656181 460850583 /nfs/dbraw/zinc/85/05/83/460850583.db2.gz MWTIXUCGJXGNGR-GUTXKFCHSA-N 2 1 328.378 3.012 20 0 EGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1C ZINC000624119675 460868901 /nfs/dbraw/zinc/86/89/01/460868901.db2.gz GVHOZSITUICRGH-WMZOPIPTSA-N 2 1 331.504 3.342 20 0 EGADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000621109271 460894090 /nfs/dbraw/zinc/89/40/90/460894090.db2.gz SEVBVKQZPUJDIL-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[NH+](CC2CC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000621109271 460894095 /nfs/dbraw/zinc/89/40/95/460894095.db2.gz SEVBVKQZPUJDIL-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[NH+](CC2CC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000621109271 460894099 /nfs/dbraw/zinc/89/40/99/460894099.db2.gz SEVBVKQZPUJDIL-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000635722660 460897886 /nfs/dbraw/zinc/89/78/86/460897886.db2.gz CGCUOLDDBWDDJQ-HXUWFJFHSA-N 2 1 347.547 3.118 20 0 EGADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624290023 460945847 /nfs/dbraw/zinc/94/58/47/460945847.db2.gz UOQLMTMXUCKSBD-LQAWEQHXSA-N 2 1 343.298 3.489 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624290023 460945853 /nfs/dbraw/zinc/94/58/53/460945853.db2.gz UOQLMTMXUCKSBD-LQAWEQHXSA-N 2 1 343.298 3.489 20 0 EGADMP CN(CCC[N@@H+](C)Cc1csc(C(F)(F)F)c1)CC[NH+](C)C ZINC000628283061 461072696 /nfs/dbraw/zinc/07/26/96/461072696.db2.gz DKMPNERHBSATDO-UHFFFAOYSA-N 2 1 337.455 3.082 20 0 EGADMP CC1CC[NH+]([C@@H](CNC(=O)C[N@@H+](C)C2CCC2)c2cccs2)CC1 ZINC000608501136 461076398 /nfs/dbraw/zinc/07/63/98/461076398.db2.gz ZJUBLQXJDKOPIP-KRWDZBQOSA-N 2 1 349.544 3.122 20 0 EGADMP C[C@H]1CCC[C@@H](NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000637919714 461126228 /nfs/dbraw/zinc/12/62/28/461126228.db2.gz SZZZYQHMUIAARG-PKOBYXMFSA-N 2 1 343.515 3.065 20 0 EGADMP CC(C)(C)c1csc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)n1 ZINC000652349368 461142064 /nfs/dbraw/zinc/14/20/64/461142064.db2.gz MDPCIFWWPKFVMG-RRFJBIMHSA-N 2 1 337.533 3.159 20 0 EGADMP Fc1ccccc1[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662257745 461146696 /nfs/dbraw/zinc/14/66/96/461146696.db2.gz POIUNYIJEFSSBX-HXUWFJFHSA-N 2 1 326.415 3.045 20 0 EGADMP Fc1ccccc1[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662257745 461146701 /nfs/dbraw/zinc/14/67/01/461146701.db2.gz POIUNYIJEFSSBX-HXUWFJFHSA-N 2 1 326.415 3.045 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2Cl)C1 ZINC000652363427 461156983 /nfs/dbraw/zinc/15/69/83/461156983.db2.gz DNILBPIDHITNMB-HYVNUMGLSA-N 2 1 326.843 3.340 20 0 EGADMP COc1ccc(-c2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)on2)cc1 ZINC000662277448 461162747 /nfs/dbraw/zinc/16/27/47/461162747.db2.gz UXFPXPNPGLZIPB-OXQOHEQNSA-N 2 1 341.455 3.314 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)on2)cc1 ZINC000662277448 461162757 /nfs/dbraw/zinc/16/27/57/461162757.db2.gz UXFPXPNPGLZIPB-OXQOHEQNSA-N 2 1 341.455 3.314 20 0 EGADMP Fc1ccc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000662290761 461167236 /nfs/dbraw/zinc/16/72/36/461167236.db2.gz JQLAIHVNRNGAAO-MRXNPFEDSA-N 2 1 344.434 3.087 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC[C@H]3CCc4ccccc43)C2)C1 ZINC000662286945 461168147 /nfs/dbraw/zinc/16/81/47/461168147.db2.gz UQDNVWXKDXRXSK-XCJLJZCSSA-N 2 1 328.500 3.325 20 0 EGADMP Cc1cncc(CC[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)n1 ZINC000649549158 461168784 /nfs/dbraw/zinc/16/87/84/461168784.db2.gz WCVPALCYWFDHJL-GHTZIAJQSA-N 2 1 338.499 3.312 20 0 EGADMP Cc1cncc(CCN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000649549158 461168790 /nfs/dbraw/zinc/16/87/90/461168790.db2.gz WCVPALCYWFDHJL-GHTZIAJQSA-N 2 1 338.499 3.312 20 0 EGADMP Cc1cncc(CCN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000649549158 461168798 /nfs/dbraw/zinc/16/87/98/461168798.db2.gz WCVPALCYWFDHJL-GHTZIAJQSA-N 2 1 338.499 3.312 20 0 EGADMP CCO[C@@H](C)c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cs1 ZINC000662291545 461169967 /nfs/dbraw/zinc/16/99/67/461169967.db2.gz HYYKZLTUSCIQJL-HOCLYGCPSA-N 2 1 337.533 3.452 20 0 EGADMP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(F)cc2Cl)[C@@H]1CCC[NH3+] ZINC000662313060 461183826 /nfs/dbraw/zinc/18/38/26/461183826.db2.gz HETVMNMNZHBBCF-MLGOLLRUSA-N 2 1 341.858 3.257 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)cc2Cl)[C@@H]1CCC[NH3+] ZINC000662313060 461183834 /nfs/dbraw/zinc/18/38/34/461183834.db2.gz HETVMNMNZHBBCF-MLGOLLRUSA-N 2 1 341.858 3.257 20 0 EGADMP CO[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCOCC1 ZINC000638023475 461203184 /nfs/dbraw/zinc/20/31/84/461203184.db2.gz NYCZDDUFMKZTDB-UYAOXDASSA-N 2 1 338.536 3.016 20 0 EGADMP COc1cc(F)cc(OC)c1C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000638173386 461286747 /nfs/dbraw/zinc/28/67/47/461286747.db2.gz WRPYGITZRDPIOL-XJKSGUPXSA-N 2 1 333.407 3.123 20 0 EGADMP COc1cc(F)cc(OC)c1C[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000638173386 461286754 /nfs/dbraw/zinc/28/67/54/461286754.db2.gz WRPYGITZRDPIOL-XJKSGUPXSA-N 2 1 333.407 3.123 20 0 EGADMP CC(C)COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655696146 461367978 /nfs/dbraw/zinc/36/79/78/461367978.db2.gz BNAHNRPRTJSBKF-IBGZPJMESA-N 2 1 332.488 3.064 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]CCC3CCOCC3)cc2)C[C@H](C)O1 ZINC000638335029 461374644 /nfs/dbraw/zinc/37/46/44/461374644.db2.gz IGCGPFDUEXVJAZ-HDICACEKSA-N 2 1 346.515 3.202 20 0 EGADMP Cc1cccc(C)c1OC[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655706989 461378385 /nfs/dbraw/zinc/37/83/85/461378385.db2.gz QDMCVVNRMUPADD-QUCCMNQESA-N 2 1 346.515 3.304 20 0 EGADMP c1[nH]c2ccccc2c1CCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655713028 461383318 /nfs/dbraw/zinc/38/33/18/461383318.db2.gz YKHUDWUSPDQHBN-LJQANCHMSA-N 2 1 341.499 3.334 20 0 EGADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)CC2 ZINC000655715922 461385344 /nfs/dbraw/zinc/38/53/44/461385344.db2.gz KJRMUKARERJIEA-HXUWFJFHSA-N 2 1 329.532 3.154 20 0 EGADMP c1ccc(OCCCCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000668694093 461386448 /nfs/dbraw/zinc/38/64/48/461386448.db2.gz ZKPOIKBKQQOJQG-LJQANCHMSA-N 2 1 332.488 3.079 20 0 EGADMP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655719705 461389128 /nfs/dbraw/zinc/38/91/28/461389128.db2.gz VXIOFZAYBVBMBY-FVQBIDKESA-N 2 1 334.426 3.198 20 0 EGADMP Fc1cccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)c1 ZINC000655765157 461431686 /nfs/dbraw/zinc/43/16/86/461431686.db2.gz ZPHCBIQEPQRNEA-NSISKUIASA-N 2 1 332.463 3.305 20 0 EGADMP CCOc1ccccc1[C@@H](CC)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638471613 461444630 /nfs/dbraw/zinc/44/46/30/461444630.db2.gz JSYMIKAIQKFFFY-GOSISDBHSA-N 2 1 334.504 3.361 20 0 EGADMP CC[N@@H+](CCN[C@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000638479453 461448026 /nfs/dbraw/zinc/44/80/26/461448026.db2.gz MYWWEFKMCCMYJZ-RXVVDRJESA-N 2 1 327.516 3.428 20 0 EGADMP CC[NH+](CCN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000638479453 461448041 /nfs/dbraw/zinc/44/80/41/461448041.db2.gz MYWWEFKMCCMYJZ-RXVVDRJESA-N 2 1 327.516 3.428 20 0 EGADMP O=C1Nc2ccccc2CC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000655791018 461450151 /nfs/dbraw/zinc/45/01/51/461450151.db2.gz XQRUIHMJOXYWGT-FQEVSTJZSA-N 2 1 341.499 3.327 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638567487 461490301 /nfs/dbraw/zinc/49/03/01/461490301.db2.gz MWKAAIFQJLRVKQ-TZIWHRDSSA-N 3 1 327.516 3.286 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638567487 461490309 /nfs/dbraw/zinc/49/03/09/461490309.db2.gz MWKAAIFQJLRVKQ-TZIWHRDSSA-N 3 1 327.516 3.286 20 0 EGADMP c1ccc([C@@H]2C[C@@H](N[C@@H]3CC[N@H+](CC4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638583037 461494449 /nfs/dbraw/zinc/49/44/49/461494449.db2.gz WWQAGEHOFNEIPN-VWPQPMDRSA-N 2 1 339.527 3.428 20 0 EGADMP c1ccc([C@@H]2C[C@@H](N[C@@H]3CC[NH+](CC4CC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000638583037 461494456 /nfs/dbraw/zinc/49/44/56/461494456.db2.gz WWQAGEHOFNEIPN-VWPQPMDRSA-N 2 1 339.527 3.428 20 0 EGADMP c1ccc([C@@H]2C[C@@H](N[C@@H]3CC[NH+](CC4CC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000638583037 461494463 /nfs/dbraw/zinc/49/44/63/461494463.db2.gz WWQAGEHOFNEIPN-VWPQPMDRSA-N 2 1 339.527 3.428 20 0 EGADMP COCCc1ncc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)s1 ZINC000631043486 461496245 /nfs/dbraw/zinc/49/62/45/461496245.db2.gz XXSYTCMHSKBHEZ-OAHLLOKOSA-N 2 1 325.522 3.076 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3n2C)[C@@H](C)C1 ZINC000638594247 461498159 /nfs/dbraw/zinc/49/81/59/461498159.db2.gz DUNFZFKTQSFBNN-PXNSSMCTSA-N 2 1 343.515 3.405 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653108572 461505212 /nfs/dbraw/zinc/50/52/12/461505212.db2.gz AEAYUAKWXHEMCN-MSOLQXFVSA-N 2 1 343.515 3.067 20 0 EGADMP COC1CC[NH+](C2(C[NH2+]CC3CCSCC3)CCCC2)CC1 ZINC000638637814 461514869 /nfs/dbraw/zinc/51/48/69/461514869.db2.gz WPGJKDWPEBXPHP-UHFFFAOYSA-N 2 1 326.550 3.143 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000659990936 461535055 /nfs/dbraw/zinc/53/50/55/461535055.db2.gz RVPFUYOTVRYXPU-ZVDOUQERSA-N 2 1 329.532 3.171 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000659990936 461535061 /nfs/dbraw/zinc/53/50/61/461535061.db2.gz RVPFUYOTVRYXPU-ZVDOUQERSA-N 2 1 329.532 3.171 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000659990936 461535068 /nfs/dbraw/zinc/53/50/68/461535068.db2.gz RVPFUYOTVRYXPU-ZVDOUQERSA-N 2 1 329.532 3.171 20 0 EGADMP CC[N@@H+](CCCNC(=O)C[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000653200370 461555742 /nfs/dbraw/zinc/55/57/42/461555742.db2.gz BWBSAUKPNKGGGO-IBGZPJMESA-N 2 1 331.504 3.237 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]CCCO[C@H]3CCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000638741079 461556203 /nfs/dbraw/zinc/55/62/03/461556203.db2.gz DDMPSHDBNMTFMK-GIVPXCGWSA-N 2 1 344.499 3.140 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]CCCO[C@H]3CCOC3)CC[N@H+]2C2CC2)cc1 ZINC000638741079 461556210 /nfs/dbraw/zinc/55/62/10/461556210.db2.gz DDMPSHDBNMTFMK-GIVPXCGWSA-N 2 1 344.499 3.140 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638781530 461576054 /nfs/dbraw/zinc/57/60/54/461576054.db2.gz VONJJEWYXMFWAL-MPSQCAORSA-N 2 1 339.527 3.427 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638781530 461576062 /nfs/dbraw/zinc/57/60/62/461576062.db2.gz VONJJEWYXMFWAL-MPSQCAORSA-N 2 1 339.527 3.427 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638781530 461576068 /nfs/dbraw/zinc/57/60/68/461576068.db2.gz VONJJEWYXMFWAL-MPSQCAORSA-N 2 1 339.527 3.427 20 0 EGADMP COc1cc2c(c(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)c1)O[C@H](C)C2 ZINC000663346194 461576835 /nfs/dbraw/zinc/57/68/35/461576835.db2.gz QHXIPYPSCWUUBE-NVXWUHKLSA-N 2 1 344.499 3.230 20 0 EGADMP COc1cc2c(c(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)c1)O[C@H](C)C2 ZINC000663346194 461576842 /nfs/dbraw/zinc/57/68/42/461576842.db2.gz QHXIPYPSCWUUBE-NVXWUHKLSA-N 2 1 344.499 3.230 20 0 EGADMP CCNC(=O)C(C)(C)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638788182 461578717 /nfs/dbraw/zinc/57/87/17/461578717.db2.gz CLNVIIRSVBDZQK-HKUYNNGSSA-N 2 1 343.515 3.106 20 0 EGADMP CCNC(=O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638788182 461578725 /nfs/dbraw/zinc/57/87/25/461578725.db2.gz CLNVIIRSVBDZQK-HKUYNNGSSA-N 2 1 343.515 3.106 20 0 EGADMP CN(C(=O)CC[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC000663357223 461585449 /nfs/dbraw/zinc/58/54/49/461585449.db2.gz FUJAJQXHSSSFNM-IBGZPJMESA-N 2 1 331.504 3.140 20 0 EGADMP COc1cccc(C)c1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000638873112 461633365 /nfs/dbraw/zinc/63/33/65/461633365.db2.gz CWXDGRXJLZGMNK-UHFFFAOYSA-N 2 1 340.471 3.169 20 0 EGADMP CCCn1nccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631194181 461634848 /nfs/dbraw/zinc/63/48/48/461634848.db2.gz JKHKXEUJPIHMDX-PKOBYXMFSA-N 2 1 326.488 3.151 20 0 EGADMP CCCn1nccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631194181 461634852 /nfs/dbraw/zinc/63/48/52/461634852.db2.gz JKHKXEUJPIHMDX-PKOBYXMFSA-N 2 1 326.488 3.151 20 0 EGADMP CCOc1cccc2cc([C@@H](C)NC[C@@H](O)C[N@@H+](C)C(C)C)oc21 ZINC000660255877 461669599 /nfs/dbraw/zinc/66/95/99/461669599.db2.gz AWVAZSXHNVPVHK-GDBMZVCRSA-N 2 1 334.460 3.183 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC000643375339 461711524 /nfs/dbraw/zinc/71/15/24/461711524.db2.gz BIYAAABBWJXWNG-UHFFFAOYSA-N 2 1 329.532 3.461 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2cc(-c3ccncc3)ccc2OC)CC[C@H]1[NH3+] ZINC000647497879 461737328 /nfs/dbraw/zinc/73/73/28/461737328.db2.gz YYDCYFSKKCOVMX-DNVCBOLYSA-N 2 1 325.456 3.316 20 0 EGADMP CC[C@@H]1C[N@H+](Cc2ccccc2OCc2cccnc2)CC[C@@H]1[NH3+] ZINC000647497666 461737749 /nfs/dbraw/zinc/73/77/49/461737749.db2.gz PPOXVJKJFPATTJ-MJGOQNOKSA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccccc2OCc2cccnc2)CC[C@@H]1[NH3+] ZINC000647497666 461737757 /nfs/dbraw/zinc/73/77/57/461737757.db2.gz PPOXVJKJFPATTJ-MJGOQNOKSA-N 2 1 325.456 3.220 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(N2CCCC2)n1 ZINC000643471239 461739488 /nfs/dbraw/zinc/73/94/88/461739488.db2.gz IGHLFPYQFVWHMY-CEXWTWQISA-N 2 1 328.504 3.001 20 0 EGADMP c1cc(CCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647542744 461754545 /nfs/dbraw/zinc/75/45/45/461754545.db2.gz BHUBUWZHXWDSFW-WOJBJXKFSA-N 2 1 328.500 3.266 20 0 EGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000647543727 461758654 /nfs/dbraw/zinc/75/86/54/461758654.db2.gz RMJCZYIJVSNBSN-HZPDHXFCSA-N 2 1 328.460 3.190 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)CC[NH2+]1 ZINC000666687231 461760103 /nfs/dbraw/zinc/76/01/03/461760103.db2.gz GWHGLZPOIOJCPH-LMMKCTJWSA-N 2 1 344.503 3.051 20 0 EGADMP Cc1c[nH+]ccc1OC1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000660432527 461775217 /nfs/dbraw/zinc/77/52/17/461775217.db2.gz ZIYPNACHDLQMMM-IRXDYDNUSA-N 2 1 331.504 3.211 20 0 EGADMP COc1ccc(-c2nc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])cs2)cc1 ZINC000666743763 461785628 /nfs/dbraw/zinc/78/56/28/461785628.db2.gz WIKWUZJTHJECLZ-PBHICJAKSA-N 2 1 331.485 3.426 20 0 EGADMP COc1ccc(-c2nc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])cs2)cc1 ZINC000666743778 461785940 /nfs/dbraw/zinc/78/59/40/461785940.db2.gz WIKWUZJTHJECLZ-YOEHRIQHSA-N 2 1 331.485 3.426 20 0 EGADMP C[C@@H]1CCC[C@]1(O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639209835 461806135 /nfs/dbraw/zinc/80/61/35/461806135.db2.gz FJCKCPDHBRJKDI-DWIQEWEKSA-N 2 1 328.500 3.495 20 0 EGADMP C[C@@H]1CCC[C@]1(O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639209835 461806141 /nfs/dbraw/zinc/80/61/41/461806141.db2.gz FJCKCPDHBRJKDI-DWIQEWEKSA-N 2 1 328.500 3.495 20 0 EGADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000639244761 461823624 /nfs/dbraw/zinc/82/36/24/461823624.db2.gz OWTGZVAYVRFNQW-WIYYLYMNSA-N 2 1 336.483 3.285 20 0 EGADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000639244761 461823629 /nfs/dbraw/zinc/82/36/29/461823629.db2.gz OWTGZVAYVRFNQW-WIYYLYMNSA-N 2 1 336.483 3.285 20 0 EGADMP C[N@H+]1CCC[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000669931700 461840708 /nfs/dbraw/zinc/84/07/08/461840708.db2.gz RCYCWOVVCDVURN-QFIPXVFZSA-N 2 1 349.522 3.488 20 0 EGADMP O=C(c1cccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1)N1CCCCC1 ZINC000647815025 461849461 /nfs/dbraw/zinc/84/94/61/461849461.db2.gz LVDVURWKWGGOLH-UHFFFAOYSA-N 2 1 341.499 3.029 20 0 EGADMP O=C(c1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1)N1CCCCC1 ZINC000647815025 461849468 /nfs/dbraw/zinc/84/94/68/461849468.db2.gz LVDVURWKWGGOLH-UHFFFAOYSA-N 2 1 341.499 3.029 20 0 EGADMP COc1cc(C)c([C@@H](C)[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1C ZINC000639334167 461866312 /nfs/dbraw/zinc/86/63/12/461866312.db2.gz ADNCGGCNFMYTAY-QZTJIDSGSA-N 2 1 334.504 3.416 20 0 EGADMP COc1ccccc1C[N@@H+](CCCC1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000647879874 461868561 /nfs/dbraw/zinc/86/85/61/461868561.db2.gz RBYFOAAKHHQGMP-HXUWFJFHSA-N 2 1 346.515 3.456 20 0 EGADMP C[N@@H+](CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@H]1CC[NH2+]C1 ZINC000647882673 461869755 /nfs/dbraw/zinc/86/97/55/461869755.db2.gz LPAGIJZNPBRUPW-INIZCTEOSA-N 2 1 344.478 3.470 20 0 EGADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2cc(N)ccc2O1 ZINC000666959054 461888415 /nfs/dbraw/zinc/88/84/15/461888415.db2.gz PWKYUJPEUVHJIP-GOSISDBHSA-N 2 1 329.488 3.335 20 0 EGADMP FC(F)(F)c1cccnc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783631 461891859 /nfs/dbraw/zinc/89/18/59/461891859.db2.gz RNUILXGWENHWJL-AWEZNQCLSA-N 2 1 327.394 3.312 20 0 EGADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656784499 461893413 /nfs/dbraw/zinc/89/34/13/461893413.db2.gz DPCYRSDICMGTJO-INIZCTEOSA-N 2 1 336.549 3.201 20 0 EGADMP c1cn(Cc2ccccc2)c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000656784435 461894815 /nfs/dbraw/zinc/89/48/15/461894815.db2.gz DEGMBRVNRZYHDH-FQEVSTJZSA-N 2 1 338.499 3.143 20 0 EGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705753 461897532 /nfs/dbraw/zinc/89/75/32/461897532.db2.gz UJTIFBMMYXYQEE-NSHGMRRFSA-N 2 1 332.488 3.192 20 0 EGADMP CC(C)Cc1ncc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650707772 461900761 /nfs/dbraw/zinc/90/07/61/461900761.db2.gz MVMGHJJLVSJCHL-ZOBUZTSGSA-N 2 1 337.533 3.060 20 0 EGADMP CCOc1c(OC)cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1OC ZINC000650711189 461904907 /nfs/dbraw/zinc/90/49/07/461904907.db2.gz LESMPRUFSKZCFJ-GDBMZVCRSA-N 2 1 336.476 3.052 20 0 EGADMP CCOc1c(OC)cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000650711192 461905301 /nfs/dbraw/zinc/90/53/01/461905301.db2.gz LESMPRUFSKZCFJ-ZBFHGGJFSA-N 2 1 336.476 3.052 20 0 EGADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000647971836 461913376 /nfs/dbraw/zinc/91/33/76/461913376.db2.gz OASJGVAVWNVRFQ-OALUTQOASA-N 2 1 349.478 3.224 20 0 EGADMP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000647971836 461913379 /nfs/dbraw/zinc/91/33/79/461913379.db2.gz OASJGVAVWNVRFQ-OALUTQOASA-N 2 1 349.478 3.224 20 0 EGADMP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647974959 461916855 /nfs/dbraw/zinc/91/68/55/461916855.db2.gz DIMQDSUBFSZPDM-HOTGVXAUSA-N 2 1 349.906 3.299 20 0 EGADMP Fc1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647975665 461916982 /nfs/dbraw/zinc/91/69/82/461916982.db2.gz DIZWJXYAXZLHIF-CVEARBPZSA-N 2 1 344.434 3.087 20 0 EGADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975428 461917155 /nfs/dbraw/zinc/91/71/55/461917155.db2.gz AFWQPZAKEKZRSG-OKZBNKHCSA-N 2 1 329.488 3.034 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977679 461918080 /nfs/dbraw/zinc/91/80/80/461918080.db2.gz FZPHYBMPRNUUSF-IRXDYDNUSA-N 2 1 347.478 3.174 20 0 EGADMP CSc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976622 461919337 /nfs/dbraw/zinc/91/93/37/461919337.db2.gz RDZHNEWGJMXIHJ-JKSUJKDBSA-N 2 1 347.528 3.059 20 0 EGADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976181 461919637 /nfs/dbraw/zinc/91/96/37/461919637.db2.gz LGJDQACPZHTQQK-PMPSAXMXSA-N 2 1 349.906 3.379 20 0 EGADMP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000660696170 461927497 /nfs/dbraw/zinc/92/74/97/461927497.db2.gz OGBJSYYPUBPYEL-KRWDZBQOSA-N 2 1 330.516 3.309 20 0 EGADMP CC(C)c1cccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000667054381 461930276 /nfs/dbraw/zinc/93/02/76/461930276.db2.gz GUDUQBINHBRFDY-UHFFFAOYSA-N 2 1 338.455 3.209 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C[NH3+])cc1F ZINC000650751848 461933473 /nfs/dbraw/zinc/93/34/73/461933473.db2.gz CLPVYZNLZGQQHU-HRAATJIYSA-N 2 1 341.474 3.285 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650751848 461933479 /nfs/dbraw/zinc/93/34/79/461933479.db2.gz CLPVYZNLZGQQHU-HRAATJIYSA-N 2 1 341.474 3.285 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000648009715 461936376 /nfs/dbraw/zinc/93/63/76/461936376.db2.gz TXSJYIMZLPZHGF-SFHVURJKSA-N 2 1 342.487 3.439 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000648009715 461936388 /nfs/dbraw/zinc/93/63/88/461936388.db2.gz TXSJYIMZLPZHGF-SFHVURJKSA-N 2 1 342.487 3.439 20 0 EGADMP O[C@@]1(C(F)(F)F)CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000644420492 461951020 /nfs/dbraw/zinc/95/10/20/461951020.db2.gz FQMSNIYFCAVIHQ-SJORKVTESA-N 2 1 342.405 3.087 20 0 EGADMP O[C@@]1(C(F)(F)F)CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000644420490 461951256 /nfs/dbraw/zinc/95/12/56/461951256.db2.gz FQMSNIYFCAVIHQ-IRXDYDNUSA-N 2 1 342.405 3.087 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CCN(CCc4cnccn4)C3)C2)cc1 ZINC000639507856 461960226 /nfs/dbraw/zinc/96/02/26/461960226.db2.gz SNFFYESBRZSANW-NRFANRHFSA-N 2 1 336.483 3.007 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CCc4cnccn4)C3)C2)cc1 ZINC000639507856 461960232 /nfs/dbraw/zinc/96/02/32/461960232.db2.gz SNFFYESBRZSANW-NRFANRHFSA-N 2 1 336.483 3.007 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CCc4cnccn4)C3)C2)cc1 ZINC000639507856 461960236 /nfs/dbraw/zinc/96/02/36/461960236.db2.gz SNFFYESBRZSANW-NRFANRHFSA-N 2 1 336.483 3.007 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CCc4cnccn4)C3)C2)cc1 ZINC000639507856 461960240 /nfs/dbraw/zinc/96/02/40/461960240.db2.gz SNFFYESBRZSANW-NRFANRHFSA-N 2 1 336.483 3.007 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@]3(CCN(CCc4cnccn4)C3)C2)cc1 ZINC000639507859 461960718 /nfs/dbraw/zinc/96/07/18/461960718.db2.gz SNFFYESBRZSANW-OAQYLSRUSA-N 2 1 336.483 3.007 20 0 EGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](CCc4cnccn4)C3)C2)cc1 ZINC000639507859 461960724 /nfs/dbraw/zinc/96/07/24/461960724.db2.gz SNFFYESBRZSANW-OAQYLSRUSA-N 2 1 336.483 3.007 20 0 EGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CCc4cnccn4)C3)C2)cc1 ZINC000639507859 461960730 /nfs/dbraw/zinc/96/07/30/461960730.db2.gz SNFFYESBRZSANW-OAQYLSRUSA-N 2 1 336.483 3.007 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CCc4cnccn4)C3)C2)cc1 ZINC000639507859 461960737 /nfs/dbraw/zinc/96/07/37/461960737.db2.gz SNFFYESBRZSANW-OAQYLSRUSA-N 2 1 336.483 3.007 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CCC(=O)Nc1ccccc1F ZINC000644521952 461967989 /nfs/dbraw/zinc/96/79/89/461967989.db2.gz JGTKUXBYBACODY-INIZCTEOSA-N 2 1 335.467 3.399 20 0 EGADMP CCCOc1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(C)c1 ZINC000657347589 462062125 /nfs/dbraw/zinc/06/21/25/462062125.db2.gz CGOZZGULZIGXMO-UHFFFAOYSA-N 2 1 347.547 3.147 20 0 EGADMP Cc1ncc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1C ZINC000667589812 462162799 /nfs/dbraw/zinc/16/27/99/462162799.db2.gz DCXLCEFJDUMSAJ-UHFFFAOYSA-N 2 1 326.488 3.073 20 0 EGADMP CCC1([NH+]2CCCC2)CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000639987350 462207395 /nfs/dbraw/zinc/20/73/95/462207395.db2.gz BJXCFMADTDNABI-UHFFFAOYSA-N 2 1 347.478 3.495 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667677390 462208410 /nfs/dbraw/zinc/20/84/10/462208410.db2.gz QOSUSMQRJJDJFW-ICSRJNTNSA-N 2 1 332.488 3.018 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667677390 462208412 /nfs/dbraw/zinc/20/84/12/462208412.db2.gz QOSUSMQRJJDJFW-ICSRJNTNSA-N 2 1 332.488 3.018 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667677390 462208414 /nfs/dbraw/zinc/20/84/14/462208414.db2.gz QOSUSMQRJJDJFW-ICSRJNTNSA-N 2 1 332.488 3.018 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667677390 462208416 /nfs/dbraw/zinc/20/84/16/462208416.db2.gz QOSUSMQRJJDJFW-ICSRJNTNSA-N 2 1 332.488 3.018 20 0 EGADMP Cc1cccc2[nH]c(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cc21 ZINC000667707183 462223719 /nfs/dbraw/zinc/22/37/19/462223719.db2.gz SEYUAWLQDXMXGJ-LSTHTHJFSA-N 2 1 327.472 3.160 20 0 EGADMP Cc1cccc2[nH]c(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cc21 ZINC000667707183 462223722 /nfs/dbraw/zinc/22/37/22/462223722.db2.gz SEYUAWLQDXMXGJ-LSTHTHJFSA-N 2 1 327.472 3.160 20 0 EGADMP c1csc(N2CCC([NH2+][C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)n1 ZINC000657678451 462228082 /nfs/dbraw/zinc/22/80/82/462228082.db2.gz QONVXKSUKFGUCN-MRXNPFEDSA-N 2 1 334.533 3.109 20 0 EGADMP c1csc(N2CCC([NH2+][C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)n1 ZINC000657678451 462228090 /nfs/dbraw/zinc/22/80/90/462228090.db2.gz QONVXKSUKFGUCN-MRXNPFEDSA-N 2 1 334.533 3.109 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)CC[N@H+]1C ZINC000648736161 462252275 /nfs/dbraw/zinc/25/22/75/462252275.db2.gz KOOKLXSSBFYNEL-SQGPQFPESA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000648736161 462252278 /nfs/dbraw/zinc/25/22/78/462252278.db2.gz KOOKLXSSBFYNEL-SQGPQFPESA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000648736161 462252282 /nfs/dbraw/zinc/25/22/82/462252282.db2.gz KOOKLXSSBFYNEL-SQGPQFPESA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)CC[N@H+]1C ZINC000648738081 462254618 /nfs/dbraw/zinc/25/46/18/462254618.db2.gz ZMXMHIIGTXNJRF-VQIMIIECSA-N 2 1 329.488 3.197 20 0 EGADMP CCO[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000648741030 462255933 /nfs/dbraw/zinc/25/59/33/462255933.db2.gz KZZVDRYYAJXTFE-RXVVDRJESA-N 2 1 346.515 3.408 20 0 EGADMP COCCc1ccc(OC[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000667806469 462271198 /nfs/dbraw/zinc/27/11/98/462271198.db2.gz JRBLSSNUHGXOBW-KRWDZBQOSA-N 2 1 346.515 3.249 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000648779082 462274933 /nfs/dbraw/zinc/27/49/33/462274933.db2.gz ZKRIFSPAPZOGQL-DLBZAZTESA-N 2 1 342.487 3.033 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000648779082 462274940 /nfs/dbraw/zinc/27/49/40/462274940.db2.gz ZKRIFSPAPZOGQL-DLBZAZTESA-N 2 1 342.487 3.033 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc3ccncc3s2)CC1 ZINC000657868157 462303079 /nfs/dbraw/zinc/30/30/79/462303079.db2.gz XITPXIGKJXPOPP-AWEZNQCLSA-N 2 1 333.501 3.448 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc3cnccc3o2)[C@@H](C)C1 ZINC000651710233 462311404 /nfs/dbraw/zinc/31/14/04/462311404.db2.gz VIKAPXHRMJBSRF-YJBOKZPZSA-N 2 1 331.460 3.054 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3cnccc3o2)[C@@H](C)C1 ZINC000651710233 462311410 /nfs/dbraw/zinc/31/14/10/462311410.db2.gz VIKAPXHRMJBSRF-YJBOKZPZSA-N 2 1 331.460 3.054 20 0 EGADMP [NH3+]C1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCCC1 ZINC000665246523 462366936 /nfs/dbraw/zinc/36/69/36/462366936.db2.gz HQQVVYPJIXDGGM-AQNXPRMDSA-N 2 1 327.516 3.291 20 0 EGADMP COc1ccc(-c2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)on2)cc1 ZINC000665262204 462375283 /nfs/dbraw/zinc/37/52/83/462375283.db2.gz WBUJNFDKIRSYLU-GBESFXJTSA-N 2 1 341.455 3.361 20 0 EGADMP c1ccc([C@@H]2C[C@@H](N[C@H]3CC[N@H+](C4CCCCC4)C3)CC[NH2+]2)cc1 ZINC000665268313 462377272 /nfs/dbraw/zinc/37/72/72/462377272.db2.gz MDZSZUUCUBJEPX-ZJOUEHCJSA-N 2 1 327.516 3.476 20 0 EGADMP Cc1ccc(NC(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)c(F)c1 ZINC000640531226 462431010 /nfs/dbraw/zinc/43/10/10/462431010.db2.gz MLPWJSNGSRONJQ-UHFFFAOYSA-N 2 1 335.467 3.271 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)c(F)c1 ZINC000640531226 462431012 /nfs/dbraw/zinc/43/10/12/462431012.db2.gz MLPWJSNGSRONJQ-UHFFFAOYSA-N 2 1 335.467 3.271 20 0 EGADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)n1 ZINC000658228166 462435043 /nfs/dbraw/zinc/43/50/43/462435043.db2.gz GWIHLONEIBCHSX-OFLPRAFFSA-N 2 1 332.492 3.401 20 0 EGADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)n1 ZINC000658228166 462435048 /nfs/dbraw/zinc/43/50/48/462435048.db2.gz GWIHLONEIBCHSX-OFLPRAFFSA-N 2 1 332.492 3.401 20 0 EGADMP CN(c1nc2cccc(F)c2s1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000649275341 462465302 /nfs/dbraw/zinc/46/53/02/462465302.db2.gz NDKVACWSLMOQDP-AWEZNQCLSA-N 2 1 348.491 3.040 20 0 EGADMP CN(c1nc2cccc(F)c2s1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000649275341 462465307 /nfs/dbraw/zinc/46/53/07/462465307.db2.gz NDKVACWSLMOQDP-AWEZNQCLSA-N 2 1 348.491 3.040 20 0 EGADMP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccncn1 ZINC000658317552 462475328 /nfs/dbraw/zinc/47/53/28/462475328.db2.gz MRORPJNDWBPRRH-HKUYNNGSSA-N 2 1 336.483 3.430 20 0 EGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccncn1 ZINC000658317552 462475331 /nfs/dbraw/zinc/47/53/31/462475331.db2.gz MRORPJNDWBPRRH-HKUYNNGSSA-N 2 1 336.483 3.430 20 0 EGADMP C(=C\C[N@H+]1CC[C@H](c2cccnc2)C1)\C[NH+]1CC[C@H](c2cccnc2)C1 ZINC000645983215 462487592 /nfs/dbraw/zinc/48/75/92/462487592.db2.gz BBBFPWDJYZDHMS-AUSJAXNVSA-N 2 1 348.494 3.312 20 0 EGADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000649413599 462503136 /nfs/dbraw/zinc/50/31/36/462503136.db2.gz PLFZVJYNWCLTRB-DLBZAZTESA-N 2 1 326.488 3.406 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000164640451 534769841 /nfs/dbraw/zinc/76/98/41/534769841.db2.gz CEBXDPBDBUIVOO-OAHLLOKOSA-N 2 1 342.443 3.279 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000181518222 527987285 /nfs/dbraw/zinc/98/72/85/527987285.db2.gz YJKXLZIEIXTJKC-ZWKOTPCHSA-N 2 1 341.503 3.286 20 0 EGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000131399795 528112955 /nfs/dbraw/zinc/11/29/55/528112955.db2.gz DINPEIZVVXHPSV-OAHLLOKOSA-N 2 1 332.492 3.353 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2SC)C1 ZINC000173793974 528184568 /nfs/dbraw/zinc/18/45/68/528184568.db2.gz HIRHQLQTMNZQNR-MRXNPFEDSA-N 2 1 349.544 3.401 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000154526791 529143379 /nfs/dbraw/zinc/14/33/79/529143379.db2.gz MHYAQFYCADPRHD-HXUWFJFHSA-N 2 1 347.572 3.024 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000154453895 529143833 /nfs/dbraw/zinc/14/38/33/529143833.db2.gz PRMWGPPGLUXEMJ-UWJYYQICSA-N 2 1 347.522 3.456 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)c(C)n2n1 ZINC000120548530 537698151 /nfs/dbraw/zinc/69/81/51/537698151.db2.gz DJDXQEVRMUTGED-CYBMUJFWSA-N 2 1 329.492 3.306 20 0 EGADMP Cc1ncc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)s1 ZINC000090400565 546656472 /nfs/dbraw/zinc/65/64/72/546656472.db2.gz FXWCSVCWPOKBSQ-AWEZNQCLSA-N 2 1 331.485 3.135 20 0 EGADMP COC[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000093338139 546685038 /nfs/dbraw/zinc/68/50/38/546685038.db2.gz LFJYMVWOFKZNRQ-LJQANCHMSA-N 2 1 332.488 3.020 20 0 EGADMP C[C@H]([NH2+]Cc1csc(N(C)C)n1)c1cccc(OCC[NH+](C)C)c1 ZINC000157066536 546916387 /nfs/dbraw/zinc/91/63/87/546916387.db2.gz HKIWOMINJFUAGS-AWEZNQCLSA-N 2 1 348.516 3.000 20 0 EGADMP Cc1[nH]ncc1[C@H](C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000181060704 547064315 /nfs/dbraw/zinc/06/43/15/547064315.db2.gz POHGGKOTDCFGJO-INIZCTEOSA-N 2 1 342.487 3.086 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cnc(C)s2)[C@H](C)C1 ZINC000245582003 547265690 /nfs/dbraw/zinc/26/56/90/547265690.db2.gz JOBLKHWUUFLESV-FMKPAKJESA-N 2 1 325.522 3.239 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cnc(C)s2)[C@H](C)C1 ZINC000245582003 547265694 /nfs/dbraw/zinc/26/56/94/547265694.db2.gz JOBLKHWUUFLESV-FMKPAKJESA-N 2 1 325.522 3.239 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000339238799 547571627 /nfs/dbraw/zinc/57/16/27/547571627.db2.gz WMMUAQCSSBUTIQ-GOSISDBHSA-N 2 1 343.515 3.032 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000348100153 547626677 /nfs/dbraw/zinc/62/66/77/547626677.db2.gz FBJKPTSLZAIIML-LEWJYISDSA-N 2 1 327.516 3.102 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000362516151 547769191 /nfs/dbraw/zinc/76/91/91/547769191.db2.gz MVHFBZWQTTWHRL-QGZVFWFLSA-N 2 1 328.859 3.412 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000362516151 547769194 /nfs/dbraw/zinc/76/91/94/547769194.db2.gz MVHFBZWQTTWHRL-QGZVFWFLSA-N 2 1 328.859 3.412 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)Cc3cccc(Cl)c3)C2)CC1 ZINC000370735919 547790999 /nfs/dbraw/zinc/79/09/99/547790999.db2.gz DDQRUJOJPHCENI-GOSISDBHSA-N 2 1 336.907 3.051 20 0 EGADMP CCCN1C[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1=O ZINC000421356956 547879691 /nfs/dbraw/zinc/87/96/91/547879691.db2.gz YYIDJVRJUPYHDD-DOTOQJQBSA-N 2 1 340.471 3.090 20 0 EGADMP C[NH+](C/C=C/C[N@H+](C)Cc1cccc(O)c1)Cc1cccc(O)c1 ZINC000674005868 548670240 /nfs/dbraw/zinc/67/02/40/548670240.db2.gz QYKYLAXOKPXTMC-ONEGZZNKSA-N 2 1 326.440 3.218 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C[C@H](C)O1 ZINC000675784219 548980697 /nfs/dbraw/zinc/98/06/97/548980697.db2.gz WNRFTNKCZYIWIZ-ZRGWGRIASA-N 2 1 336.907 3.286 20 0 EGADMP Cc1ncc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)s1 ZINC000676069459 549032002 /nfs/dbraw/zinc/03/20/02/549032002.db2.gz OWTQGHZLFLCMJU-ZDUSSCGKSA-N 2 1 334.489 3.028 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000677240101 549235318 /nfs/dbraw/zinc/23/53/18/549235318.db2.gz SYULIDBEBVXSKH-RXRQOCSWSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000677240101 549235323 /nfs/dbraw/zinc/23/53/23/549235323.db2.gz SYULIDBEBVXSKH-RXRQOCSWSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677240101 549235328 /nfs/dbraw/zinc/23/53/28/549235328.db2.gz SYULIDBEBVXSKH-RXRQOCSWSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000677240101 549235332 /nfs/dbraw/zinc/23/53/32/549235332.db2.gz SYULIDBEBVXSKH-RXRQOCSWSA-N 3 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000677240101 549235337 /nfs/dbraw/zinc/23/53/37/549235337.db2.gz SYULIDBEBVXSKH-RXRQOCSWSA-N 3 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000677240101 549235340 /nfs/dbraw/zinc/23/53/40/549235340.db2.gz SYULIDBEBVXSKH-RXRQOCSWSA-N 3 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677240101 549235345 /nfs/dbraw/zinc/23/53/45/549235345.db2.gz SYULIDBEBVXSKH-RXRQOCSWSA-N 3 1 341.543 3.359 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CCOc2ccccc2F)cc1 ZINC000678128405 549404295 /nfs/dbraw/zinc/40/42/95/549404295.db2.gz SAWGMSFSXFPYFB-UHFFFAOYSA-N 2 1 346.446 3.277 20 0 EGADMP Cc1c(C[NH+]2CCSCC2)cccc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000679143771 549643879 /nfs/dbraw/zinc/64/38/79/549643879.db2.gz ZTEWSSRLFXMCBL-CRAIPNDOSA-N 2 1 333.545 3.438 20 0 EGADMP C[C@@H]([NH2+]CC1(O)CCC(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679326568 549688894 /nfs/dbraw/zinc/68/88/94/549688894.db2.gz YEDXQAFVJVMBPN-WNKNEZEQSA-N 2 1 330.516 3.428 20 0 EGADMP CC[C@H](C)Oc1cc(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1OC ZINC000679364621 549696882 /nfs/dbraw/zinc/69/68/82/549696882.db2.gz HYCNMIDUZLDITI-SZMVWBNQSA-N 2 1 332.488 3.399 20 0 EGADMP C[C@H]([NH2+]CCc1ccc(CO)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679625913 549742584 /nfs/dbraw/zinc/74/25/84/549742584.db2.gz HJSOYRRAMTYSST-AVRDEDQJSA-N 2 1 338.495 3.222 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C1CC1)C1CCCCC1)c1ccccc1 ZINC000681208501 549968260 /nfs/dbraw/zinc/96/82/60/549968260.db2.gz AQDQBHJWFAHXFH-HXUWFJFHSA-N 2 1 343.515 3.203 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000681484358 550002169 /nfs/dbraw/zinc/00/21/69/550002169.db2.gz HXJWSSDWXFMYOZ-SFHVURJKSA-N 2 1 337.471 3.344 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000681484358 550002171 /nfs/dbraw/zinc/00/21/71/550002171.db2.gz HXJWSSDWXFMYOZ-SFHVURJKSA-N 2 1 337.471 3.344 20 0 EGADMP COCCC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCCC1 ZINC000681984896 550057776 /nfs/dbraw/zinc/05/77/76/550057776.db2.gz UJBKDLGHNNPFPK-IBGZPJMESA-N 2 1 338.536 3.206 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000683358869 550221646 /nfs/dbraw/zinc/22/16/46/550221646.db2.gz ONKPLFLNRKSGQM-KRWDZBQOSA-N 2 1 328.460 3.001 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000683358869 550221648 /nfs/dbraw/zinc/22/16/48/550221648.db2.gz ONKPLFLNRKSGQM-KRWDZBQOSA-N 2 1 328.460 3.001 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C2CC2)O1 ZINC000684411149 550326591 /nfs/dbraw/zinc/32/65/91/550326591.db2.gz BBLSVHFXPXWYMC-LAUBAEHRSA-N 2 1 344.499 3.161 20 0 EGADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cn1)C[NH+]1CCCC1 ZINC000684550990 550341552 /nfs/dbraw/zinc/34/15/52/550341552.db2.gz OMWNEXXMUALJHI-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP CCOC1CC2(C1)CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC000685444922 550417192 /nfs/dbraw/zinc/41/71/92/550417192.db2.gz YOPIVWWCSFJLOQ-UHFFFAOYSA-N 2 1 332.488 3.018 20 0 EGADMP C[N@H+](Cc1cnc(C2CCC2)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685458034 550418732 /nfs/dbraw/zinc/41/87/32/550418732.db2.gz YJUZMWDIPGUCPR-QGZVFWFLSA-N 2 1 348.560 3.011 20 0 EGADMP C[N@@H+](Cc1cnc(C2CCC2)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685458034 550418733 /nfs/dbraw/zinc/41/87/33/550418733.db2.gz YJUZMWDIPGUCPR-QGZVFWFLSA-N 2 1 348.560 3.011 20 0 EGADMP CCCOc1cccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000685457222 550418820 /nfs/dbraw/zinc/41/88/20/550418820.db2.gz LYRSJKGURPWKAO-FQEVSTJZSA-N 2 1 345.531 3.076 20 0 EGADMP CCCc1cccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000685457896 550418855 /nfs/dbraw/zinc/41/88/55/550418855.db2.gz RUOSROMXOWUJPJ-NRFANRHFSA-N 2 1 329.532 3.239 20 0 EGADMP CCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OCC ZINC000685470764 550421300 /nfs/dbraw/zinc/42/13/00/550421300.db2.gz QAFHBFSFBUBAON-ZWKOTPCHSA-N 2 1 332.488 3.400 20 0 EGADMP CCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1OCC ZINC000685470764 550421301 /nfs/dbraw/zinc/42/13/01/550421301.db2.gz QAFHBFSFBUBAON-ZWKOTPCHSA-N 2 1 332.488 3.400 20 0 EGADMP CCOc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1OCC ZINC000685470764 550421302 /nfs/dbraw/zinc/42/13/02/550421302.db2.gz QAFHBFSFBUBAON-ZWKOTPCHSA-N 2 1 332.488 3.400 20 0 EGADMP CCCCC[C@@H](C)NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000728571790 574759199 /nfs/dbraw/zinc/75/91/99/574759199.db2.gz KQBNRGSGXCGMAN-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP c1coc([C@@H](CNc2nccc(N3CCCC3)n2)N2CCCCC2)c1 ZINC000730106581 574920171 /nfs/dbraw/zinc/92/01/71/574920171.db2.gz KXJXZEVEDSZHIU-MRXNPFEDSA-N 2 1 341.459 3.309 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000731868856 575216581 /nfs/dbraw/zinc/21/65/81/575216581.db2.gz ACICNAXAWFIIQP-HXUWFJFHSA-N 2 1 345.531 3.279 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000731868856 575216583 /nfs/dbraw/zinc/21/65/83/575216583.db2.gz ACICNAXAWFIIQP-HXUWFJFHSA-N 2 1 345.531 3.279 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000731868856 575216584 /nfs/dbraw/zinc/21/65/84/575216584.db2.gz ACICNAXAWFIIQP-HXUWFJFHSA-N 2 1 345.531 3.279 20 0 EGADMP CC(C)[C@H]1CC(=O)N(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000733291825 575325006 /nfs/dbraw/zinc/32/50/06/575325006.db2.gz LKGMGRZQWGVXRE-IBGZPJMESA-N 2 1 335.536 3.036 20 0 EGADMP CCCOC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000741781005 575408857 /nfs/dbraw/zinc/40/88/57/575408857.db2.gz XSFVBPNDUWIMIT-KRWDZBQOSA-N 2 1 332.488 3.172 20 0 EGADMP CCCOC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000741781005 575408859 /nfs/dbraw/zinc/40/88/59/575408859.db2.gz XSFVBPNDUWIMIT-KRWDZBQOSA-N 2 1 332.488 3.172 20 0 EGADMP C=Cn1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000683704747 576186155 /nfs/dbraw/zinc/18/61/55/576186155.db2.gz FEEDTAGCYKOLED-QHAWAJNXSA-N 2 1 336.483 3.374 20 0 EGADMP C=Cn1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000683704743 576186321 /nfs/dbraw/zinc/18/63/21/576186321.db2.gz FEEDTAGCYKOLED-PWRODBHTSA-N 2 1 336.483 3.374 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](CN2C(=O)[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000743366682 576807178 /nfs/dbraw/zinc/80/71/78/576807178.db2.gz ZLYCTKISWRIJGA-YLJYHZDGSA-N 2 1 343.515 3.216 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C(=O)[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000743366682 576807179 /nfs/dbraw/zinc/80/71/79/576807179.db2.gz ZLYCTKISWRIJGA-YLJYHZDGSA-N 2 1 343.515 3.216 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000061016540 1291957236 /nfs/dbraw/zinc/95/72/36/1291957236.db2.gz QCAUDGARYHDTCU-UHFFFAOYSA-N 2 1 326.868 3.321 20 0 EGADMP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000073023720 1292302657 /nfs/dbraw/zinc/30/26/57/1292302657.db2.gz ILHWWKUXGQUSGX-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000073023720 1292302666 /nfs/dbraw/zinc/30/26/66/1292302666.db2.gz ILHWWKUXGQUSGX-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000073023720 1292302673 /nfs/dbraw/zinc/30/26/73/1292302673.db2.gz ILHWWKUXGQUSGX-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccco2)c1)C1CCOCC1 ZINC000076399903 1292428164 /nfs/dbraw/zinc/42/81/64/1292428164.db2.gz PZBHBJJGGKVQNV-UHFFFAOYSA-N 2 1 344.455 3.059 20 0 EGADMP CC1(C)C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1(C)C ZINC000079475517 1292560943 /nfs/dbraw/zinc/56/09/43/1292560943.db2.gz IDYBROXZSDNHBJ-UHFFFAOYSA-N 2 1 343.515 3.019 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH3+])c2)[C@@H]1c1cccs1 ZINC000830384011 1292715254 /nfs/dbraw/zinc/71/52/54/1292715254.db2.gz ZDIFYBSYVGMXIO-SJLPKXTDSA-N 2 1 343.496 3.020 20 0 EGADMP CCn1nc(C)c(CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1C ZINC000105429958 1293035073 /nfs/dbraw/zinc/03/50/73/1293035073.db2.gz YKTVKUOAGDVCCO-FQEVSTJZSA-N 2 1 340.515 3.174 20 0 EGADMP CCn1nc(C)c(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1C ZINC000105429958 1293035083 /nfs/dbraw/zinc/03/50/83/1293035083.db2.gz YKTVKUOAGDVCCO-FQEVSTJZSA-N 2 1 340.515 3.174 20 0 EGADMP CCn1nc(C)c(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1C ZINC000105429958 1293035094 /nfs/dbraw/zinc/03/50/94/1293035094.db2.gz YKTVKUOAGDVCCO-FQEVSTJZSA-N 2 1 340.515 3.174 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cscn3)CC2)cs1 ZINC000111397567 1293103737 /nfs/dbraw/zinc/10/37/37/1293103737.db2.gz IUPCDFKPRBVBDG-UHFFFAOYSA-N 2 1 336.530 3.164 20 0 EGADMP CCc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000116339029 1293202917 /nfs/dbraw/zinc/20/29/17/1293202917.db2.gz BBQLRRGEPOHQGR-UHFFFAOYSA-N 2 1 334.895 3.377 20 0 EGADMP CCc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(C[N@H+](C)CC)c1 ZINC000116339029 1293202923 /nfs/dbraw/zinc/20/29/23/1293202923.db2.gz BBQLRRGEPOHQGR-UHFFFAOYSA-N 2 1 334.895 3.377 20 0 EGADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)C(C)(C)C ZINC000116379438 1293205027 /nfs/dbraw/zinc/20/50/27/1293205027.db2.gz RNUPCDUQEUADHA-LJQANCHMSA-N 2 1 328.504 3.387 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](CNCc2cnn(-c3ccccc3)c2)C1 ZINC000120857414 1293343026 /nfs/dbraw/zinc/34/30/26/1293343026.db2.gz PBTLMFSTKMNKBE-SFHVURJKSA-N 2 1 326.488 3.330 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000120857414 1293343035 /nfs/dbraw/zinc/34/30/35/1293343035.db2.gz PBTLMFSTKMNKBE-SFHVURJKSA-N 2 1 326.488 3.330 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000120857414 1293343041 /nfs/dbraw/zinc/34/30/41/1293343041.db2.gz PBTLMFSTKMNKBE-SFHVURJKSA-N 2 1 326.488 3.330 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2CCSC2=S)CC1 ZINC000125479716 1293508781 /nfs/dbraw/zinc/50/87/81/1293508781.db2.gz SMNVLSGLGAOZEZ-OAHLLOKOSA-N 2 1 341.590 3.254 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2CCSC2=S)CC1 ZINC000125479716 1293508791 /nfs/dbraw/zinc/50/87/91/1293508791.db2.gz SMNVLSGLGAOZEZ-OAHLLOKOSA-N 2 1 341.590 3.254 20 0 EGADMP CC(C)(C)OC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000128098500 1293582728 /nfs/dbraw/zinc/58/27/28/1293582728.db2.gz BIYKDTKSRAATLT-BHUNQDJPSA-N 2 1 337.508 3.039 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C(C)C)[C@H](C)C1 ZINC000131587427 1293694888 /nfs/dbraw/zinc/69/48/88/1293694888.db2.gz OAYWMUFGQVQUIP-SJORKVTESA-N 2 1 341.540 3.342 20 0 EGADMP CC[NH+](CC)[C@H](C[NH2+]C1CCN(C(=O)c2ccoc2)CC1)CC(C)C ZINC000132924389 1293732277 /nfs/dbraw/zinc/73/22/77/1293732277.db2.gz FAOBKMNBWUZHGQ-IBGZPJMESA-N 2 1 349.519 3.230 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000151595843 1293932415 /nfs/dbraw/zinc/93/24/15/1293932415.db2.gz DGMLMOGIKZTVEV-XLIONFOSSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000151595843 1293932418 /nfs/dbraw/zinc/93/24/18/1293932418.db2.gz DGMLMOGIKZTVEV-XLIONFOSSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CCCCC[NH3+])cc2)C1 ZINC000155443468 1294097967 /nfs/dbraw/zinc/09/79/67/1294097967.db2.gz QNLMGJXWALFZBX-HDICACEKSA-N 2 1 345.531 3.300 20 0 EGADMP Clc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)n2cccn2)cc1 ZINC000166801345 1294364611 /nfs/dbraw/zinc/36/46/11/1294364611.db2.gz MVCFNUKFJXARPH-QRVBRYPASA-N 2 1 344.890 3.342 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN([C@@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000174962078 1294533609 /nfs/dbraw/zinc/53/36/09/1294533609.db2.gz IASWOSXRMAXHBF-AZUAARDMSA-N 2 1 343.515 3.154 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000185233682 1295249472 /nfs/dbraw/zinc/24/94/72/1295249472.db2.gz YKIYOPNQSSZTOL-QZTJIDSGSA-N 2 1 326.525 3.058 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000185271444 1295251321 /nfs/dbraw/zinc/25/13/21/1295251321.db2.gz PHWZPSQYTHIBOL-UHFFFAOYSA-N 2 1 325.840 3.458 20 0 EGADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870949513 1296149158 /nfs/dbraw/zinc/14/91/58/1296149158.db2.gz HNNVRHDLMOFVKO-WUOIFLIFSA-N 2 1 343.515 3.014 20 0 EGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C3CCCCCC3)c2)C1 ZINC000237915135 1296271590 /nfs/dbraw/zinc/27/15/90/1296271590.db2.gz IRQOVZAPFGXVPJ-LJQANCHMSA-N 2 1 343.515 3.196 20 0 EGADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C(=O)N(C)c1ccc(C)cc1 ZINC000871886354 1296595648 /nfs/dbraw/zinc/59/56/48/1296595648.db2.gz JDLBQJRHFLXRGA-LJQANCHMSA-N 2 1 331.504 3.200 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1SC(F)(F)F ZINC000261804648 1296604175 /nfs/dbraw/zinc/60/41/75/1296604175.db2.gz WDHNDNQGIMXFPL-AWEZNQCLSA-N 2 1 334.407 3.478 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1SC(F)(F)F ZINC000261804648 1296604186 /nfs/dbraw/zinc/60/41/86/1296604186.db2.gz WDHNDNQGIMXFPL-AWEZNQCLSA-N 2 1 334.407 3.478 20 0 EGADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1Br ZINC000261981811 1296612272 /nfs/dbraw/zinc/61/22/72/1296612272.db2.gz JGRCDWKNZONJSB-UHFFFAOYSA-N 2 1 339.277 3.033 20 0 EGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](Cc2nc(-c3ccco3)no2)C1)C1CCCC1 ZINC000872156903 1296774896 /nfs/dbraw/zinc/77/48/96/1296774896.db2.gz MGWVDCMGGKVEDM-ZBFHGGJFSA-N 2 1 344.459 3.449 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000872279853 1296888402 /nfs/dbraw/zinc/88/84/02/1296888402.db2.gz LBMSRKFYOIDGCP-MOPGFXCFSA-N 2 1 331.504 3.051 20 0 EGADMP CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308401853 1297068703 /nfs/dbraw/zinc/06/87/03/1297068703.db2.gz XIMKFXSBURFKHB-XUVXKRRUSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)[C@H](n2cncn2)C1 ZINC000340186402 1297310687 /nfs/dbraw/zinc/31/06/87/1297310687.db2.gz QYRAOQKIHLTFJF-AKHDSKFASA-N 2 1 333.524 3.252 20 0 EGADMP COc1ccc(CCC[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873203412 1297346920 /nfs/dbraw/zinc/34/69/20/1297346920.db2.gz CTDPWZZNNZBVIC-UHFFFAOYSA-N 2 1 330.497 3.467 20 0 EGADMP C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873204318 1297349449 /nfs/dbraw/zinc/34/94/49/1297349449.db2.gz CVCZREPBZSEWSF-KDOFPFPSSA-N 2 1 328.481 3.356 20 0 EGADMP C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873204318 1297349459 /nfs/dbraw/zinc/34/94/59/1297349459.db2.gz CVCZREPBZSEWSF-KDOFPFPSSA-N 2 1 328.481 3.356 20 0 EGADMP CC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@H](O)c1ccc(C)cc1 ZINC000873208436 1297351910 /nfs/dbraw/zinc/35/19/10/1297351910.db2.gz WEBBMEPXNGNZAD-SFHVURJKSA-N 2 1 330.497 3.258 20 0 EGADMP COc1cc(C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C2CC2)ccc1O ZINC000873208547 1297354184 /nfs/dbraw/zinc/35/41/84/1297354184.db2.gz QTDGIIZDVMQKIQ-UHFFFAOYSA-N 2 1 344.480 3.273 20 0 EGADMP c1sc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc1-c1ccncc1 ZINC000873282723 1297409737 /nfs/dbraw/zinc/40/97/37/1297409737.db2.gz LRSNUHQFYDSWIB-ARFHVFGLSA-N 2 1 328.485 3.215 20 0 EGADMP CCON1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000379615270 1297536193 /nfs/dbraw/zinc/53/61/93/1297536193.db2.gz AMXOOEOLSLULNR-YLJYHZDGSA-N 2 1 331.504 3.045 20 0 EGADMP CCON1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000379615270 1297536198 /nfs/dbraw/zinc/53/61/98/1297536198.db2.gz AMXOOEOLSLULNR-YLJYHZDGSA-N 2 1 331.504 3.045 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390663545 1297631767 /nfs/dbraw/zinc/63/17/67/1297631767.db2.gz QKRQEYZERSFQJU-FQEVSTJZSA-N 3 1 329.532 3.219 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390663545 1297631774 /nfs/dbraw/zinc/63/17/74/1297631774.db2.gz QKRQEYZERSFQJU-FQEVSTJZSA-N 3 1 329.532 3.219 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000391872009 1297648243 /nfs/dbraw/zinc/64/82/43/1297648243.db2.gz UVIFOYUFBVJKTR-PVAVHDDUSA-N 2 1 342.405 3.155 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000391872009 1297648254 /nfs/dbraw/zinc/64/82/54/1297648254.db2.gz UVIFOYUFBVJKTR-PVAVHDDUSA-N 2 1 342.405 3.155 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000391872009 1297648267 /nfs/dbraw/zinc/64/82/67/1297648267.db2.gz UVIFOYUFBVJKTR-PVAVHDDUSA-N 2 1 342.405 3.155 20 0 EGADMP CCC(CC)[C@@H](C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000686218702 1298114965 /nfs/dbraw/zinc/11/49/65/1298114965.db2.gz CITUXYSEVJQZKK-WMLDXEAASA-N 2 1 341.540 3.198 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000700802424 1298179586 /nfs/dbraw/zinc/17/95/86/1298179586.db2.gz IWGRHKGUANXJBL-IRXDYDNUSA-N 2 1 339.524 3.098 20 0 EGADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000713058170 1298268192 /nfs/dbraw/zinc/26/81/92/1298268192.db2.gz KQDKGKTYRAWMAG-MJGOQNOKSA-N 2 1 345.531 3.119 20 0 EGADMP OCc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000714966773 1298275449 /nfs/dbraw/zinc/27/54/49/1298275449.db2.gz LYTLDSWVPHBBAQ-GHTZIAJQSA-N 2 1 337.467 3.065 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccc(Cl)nn2)cc1 ZINC000876936772 1299075959 /nfs/dbraw/zinc/07/59/59/1299075959.db2.gz NEJSTXNTGKNXJZ-UHFFFAOYSA-N 2 1 348.878 3.140 20 0 EGADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2nc(Cl)cs2)cc1 ZINC000876942581 1299079759 /nfs/dbraw/zinc/07/97/59/1299079759.db2.gz XUNQBSKWGSZCRN-UHFFFAOYSA-N 2 1 325.865 3.027 20 0 EGADMP Cc1cc(N2CCC([NH2+]Cc3cccc(Cl)c3N)CC2)nc(C)[nH+]1 ZINC000877156317 1299185789 /nfs/dbraw/zinc/18/57/89/1299185789.db2.gz USWJMWASSCXIKK-UHFFFAOYSA-N 2 1 345.878 3.088 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(C)cc1 ZINC000751012515 1299497397 /nfs/dbraw/zinc/49/73/97/1299497397.db2.gz VNDBNLPDPDWJSJ-GOSISDBHSA-N 2 1 348.560 3.040 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCc4cccnc4)cc3)CC[C@H]21 ZINC000877741752 1299519398 /nfs/dbraw/zinc/51/93/98/1299519398.db2.gz BEPBTFAGSQTCBE-TZIWHRDSSA-N 2 1 337.467 3.187 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCc4cccnc4)cc3)CC[C@H]21 ZINC000877741752 1299519406 /nfs/dbraw/zinc/51/94/06/1299519406.db2.gz BEPBTFAGSQTCBE-TZIWHRDSSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(OCc4cccnc4)cc3)CC[C@H]21 ZINC000877741752 1299519410 /nfs/dbraw/zinc/51/94/10/1299519410.db2.gz BEPBTFAGSQTCBE-TZIWHRDSSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OCc4cccnc4)cc3)CC[C@H]21 ZINC000877741752 1299519416 /nfs/dbraw/zinc/51/94/16/1299519416.db2.gz BEPBTFAGSQTCBE-TZIWHRDSSA-N 2 1 337.467 3.187 20 0 EGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CS1 ZINC000754124909 1300091665 /nfs/dbraw/zinc/09/16/65/1300091665.db2.gz UNEIDOFBVCHOSW-BBWFWOEESA-N 2 1 326.550 3.140 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](CN3c4cccc5cccc(c45)C3=O)C2)CC1 ZINC000755781147 1300395209 /nfs/dbraw/zinc/39/52/09/1300395209.db2.gz TYRYHOKSXVVELD-SFHVURJKSA-N 2 1 349.478 3.421 20 0 EGADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000762789384 1301750364 /nfs/dbraw/zinc/75/03/64/1301750364.db2.gz UDZCRVLLSKWRDS-NVXWUHKLSA-N 2 1 342.455 3.035 20 0 EGADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000762789384 1301750369 /nfs/dbraw/zinc/75/03/69/1301750369.db2.gz UDZCRVLLSKWRDS-NVXWUHKLSA-N 2 1 342.455 3.035 20 0 EGADMP COc1ccc2c(NCCC[N@H+]3CCCO[C@H](C)C3)cc[nH+]c2c1 ZINC000763054337 1301813608 /nfs/dbraw/zinc/81/36/08/1301813608.db2.gz XHXWKZYLTNFMLJ-OAHLLOKOSA-N 2 1 329.444 3.156 20 0 EGADMP CC(C)[C@@H]1CC(=O)N(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000763216164 1301847292 /nfs/dbraw/zinc/84/72/92/1301847292.db2.gz OHUUZPOPBWDDEM-AZUAARDMSA-N 2 1 349.563 3.425 20 0 EGADMP CC(C)[C@@H]1CC(=O)N(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000763216164 1301847302 /nfs/dbraw/zinc/84/73/02/1301847302.db2.gz OHUUZPOPBWDDEM-AZUAARDMSA-N 2 1 349.563 3.425 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc2c(c1)COC2 ZINC000765973105 1302361371 /nfs/dbraw/zinc/36/13/71/1302361371.db2.gz CMUKQFOPFOGKMJ-MGPUTAFESA-N 2 1 330.472 3.011 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1ccc(-c2nccs2)n1 ZINC000766089458 1302386277 /nfs/dbraw/zinc/38/62/77/1302386277.db2.gz PTXVNLQVJGCMII-UHFFFAOYSA-N 2 1 344.488 3.135 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1ccc(-c2nccs2)n1 ZINC000766089458 1302386289 /nfs/dbraw/zinc/38/62/89/1302386289.db2.gz PTXVNLQVJGCMII-UHFFFAOYSA-N 2 1 344.488 3.135 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C[C@H]1C(F)(F)F ZINC000883441057 1302444984 /nfs/dbraw/zinc/44/49/84/1302444984.db2.gz GNRDQHPHXWFNPT-YYIAUSFCSA-N 2 1 342.405 3.366 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C[C@H]1C(F)(F)F ZINC000883441057 1302444989 /nfs/dbraw/zinc/44/49/89/1302444989.db2.gz GNRDQHPHXWFNPT-YYIAUSFCSA-N 2 1 342.405 3.366 20 0 EGADMP Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768169844 1302842270 /nfs/dbraw/zinc/84/22/70/1302842270.db2.gz ZNCFPWWNZPNBTP-UHFFFAOYSA-N 2 1 339.483 3.436 20 0 EGADMP Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768169844 1302842288 /nfs/dbraw/zinc/84/22/88/1302842288.db2.gz ZNCFPWWNZPNBTP-UHFFFAOYSA-N 2 1 339.483 3.436 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc(F)cc3c2OCOC3)cc1 ZINC000768863555 1303000342 /nfs/dbraw/zinc/00/03/42/1303000342.db2.gz SMZXCRJJBFWAQV-UHFFFAOYSA-N 2 1 344.430 3.386 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(F)cc3c2OCOC3)cc1 ZINC000768863555 1303000347 /nfs/dbraw/zinc/00/03/47/1303000347.db2.gz SMZXCRJJBFWAQV-UHFFFAOYSA-N 2 1 344.430 3.386 20 0 EGADMP C[C@H]([NH2+]CCO[C@H]1CCCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000769785526 1303173880 /nfs/dbraw/zinc/17/38/80/1303173880.db2.gz CSKITRLPCACBGH-SXLOBPIMSA-N 2 1 332.488 3.030 20 0 EGADMP CCc1noc(C)c1[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000769871048 1303185359 /nfs/dbraw/zinc/18/53/59/1303185359.db2.gz CERBYLJCTZNBKG-ZDUSSCGKSA-N 2 1 343.475 3.272 20 0 EGADMP CCc1noc(C)c1[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000769871029 1303185369 /nfs/dbraw/zinc/18/53/69/1303185369.db2.gz CERBYLJCTZNBKG-CYBMUJFWSA-N 2 1 343.475 3.272 20 0 EGADMP CC[N@H+](CCC1CC[NH+](CN2CC(C)(C)OC2=O)CC1)CC1CC1 ZINC000770685128 1303306891 /nfs/dbraw/zinc/30/68/91/1303306891.db2.gz JRHMYPIAAZORHU-UHFFFAOYSA-N 2 1 337.508 3.009 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CN2CC(C)(C)OC2=O)CC1)CC1CC1 ZINC000770685128 1303306898 /nfs/dbraw/zinc/30/68/98/1303306898.db2.gz JRHMYPIAAZORHU-UHFFFAOYSA-N 2 1 337.508 3.009 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCc4cccnc43)CC2)oc1C ZINC000886526800 1303487225 /nfs/dbraw/zinc/48/72/25/1303487225.db2.gz SMYCVGSGNISCNQ-SFHVURJKSA-N 2 1 340.471 3.176 20 0 EGADMP Cc1[nH]c(C2CC[NH+](CC(=O)N(C)[C@@H](C)CC(C)C)CC2)[nH+]c1C ZINC000886666651 1303546877 /nfs/dbraw/zinc/54/68/77/1303546877.db2.gz XENPOLVUZIUXNM-AWEZNQCLSA-N 2 1 334.508 3.099 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)NC3CCC(C)CC3)CC2)[nH+]c1C ZINC000886668094 1303547358 /nfs/dbraw/zinc/54/73/58/1303547358.db2.gz NKTPCVSYHNFVAZ-CRPOECCBSA-N 2 1 346.519 3.289 20 0 EGADMP COC(=O)c1oc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cc1C ZINC000886668525 1303549148 /nfs/dbraw/zinc/54/91/48/1303549148.db2.gz VBCOOAFZDNMRJA-UHFFFAOYSA-N 2 1 331.416 3.094 20 0 EGADMP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870012 1303620585 /nfs/dbraw/zinc/62/05/85/1303620585.db2.gz NKOWWQAMMBNXEA-WAOWUJCRSA-N 2 1 343.515 3.026 20 0 EGADMP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870012 1303620591 /nfs/dbraw/zinc/62/05/91/1303620591.db2.gz NKOWWQAMMBNXEA-WAOWUJCRSA-N 2 1 343.515 3.026 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CN2CCSC2=S)CC1)CC(C)C ZINC000773272993 1303653559 /nfs/dbraw/zinc/65/35/59/1303653559.db2.gz UOJBEAWHYUYGIV-UHFFFAOYSA-N 2 1 343.606 3.358 20 0 EGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)([NH+](C)C)C1 ZINC000775374841 1303949036 /nfs/dbraw/zinc/94/90/36/1303949036.db2.gz FIIGBXUHMZGWOI-UUAJXVIYSA-N 2 1 328.591 3.466 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H](O)c1c(F)cccc1F ZINC000775411446 1303960743 /nfs/dbraw/zinc/96/07/43/1303960743.db2.gz FJPJLPMFCBIPFO-MJGOQNOKSA-N 2 1 338.442 3.241 20 0 EGADMP Cc1ncc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000775522539 1303978428 /nfs/dbraw/zinc/97/84/28/1303978428.db2.gz STGBBZCDJWRBID-YJBOKZPZSA-N 2 1 329.513 3.494 20 0 EGADMP CO[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000775536076 1303981153 /nfs/dbraw/zinc/98/11/53/1303981153.db2.gz IYUIKDCGXBCQET-CWRNSKLLSA-N 2 1 330.394 3.064 20 0 EGADMP CO[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000775536076 1303981157 /nfs/dbraw/zinc/98/11/57/1303981157.db2.gz IYUIKDCGXBCQET-CWRNSKLLSA-N 2 1 330.394 3.064 20 0 EGADMP CCC1([NH+]2CCC2)CCN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000888254145 1304087242 /nfs/dbraw/zinc/08/72/42/1304087242.db2.gz XHGKSXYCDWBDGA-UHFFFAOYSA-N 2 1 341.459 3.125 20 0 EGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000776256768 1304122441 /nfs/dbraw/zinc/12/24/41/1304122441.db2.gz GTLSTUMVORVJGD-UHFFFAOYSA-N 2 1 344.890 3.245 20 0 EGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000776256768 1304122443 /nfs/dbraw/zinc/12/24/43/1304122443.db2.gz GTLSTUMVORVJGD-UHFFFAOYSA-N 2 1 344.890 3.245 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000777566636 1304319510 /nfs/dbraw/zinc/31/95/10/1304319510.db2.gz MRRRDEITVRVTBS-HDICACEKSA-N 2 1 333.495 3.147 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000777566636 1304319514 /nfs/dbraw/zinc/31/95/14/1304319514.db2.gz MRRRDEITVRVTBS-HDICACEKSA-N 2 1 333.495 3.147 20 0 EGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(N[C@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000777584465 1304322326 /nfs/dbraw/zinc/32/23/26/1304322326.db2.gz YZZRXNIKRSALMJ-AOIWGVFYSA-N 2 1 331.504 3.302 20 0 EGADMP C[C@@H]1CC[NH+](CCOc2ccc(N[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)C1 ZINC000777584465 1304322331 /nfs/dbraw/zinc/32/23/31/1304322331.db2.gz YZZRXNIKRSALMJ-AOIWGVFYSA-N 2 1 331.504 3.302 20 0 EGADMP C[C@@H]1CC[NH+](CCOc2ccc(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)C1 ZINC000777584465 1304322334 /nfs/dbraw/zinc/32/23/34/1304322334.db2.gz YZZRXNIKRSALMJ-AOIWGVFYSA-N 2 1 331.504 3.302 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@](C)(O)c2ccccc2)[C@H](C)C1 ZINC000779085213 1304528150 /nfs/dbraw/zinc/52/81/50/1304528150.db2.gz KUYVKSOJDVEEHA-GIVPXCGWSA-N 2 1 348.531 3.011 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000783515830 1305102379 /nfs/dbraw/zinc/10/23/79/1305102379.db2.gz CCDPNVUNAYBXGV-ULQDDVLXSA-N 2 1 339.524 3.096 20 0 EGADMP COCCOC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000892570067 1305445968 /nfs/dbraw/zinc/44/59/68/1305445968.db2.gz HJFNJEORFXDQFJ-ZWKOTPCHSA-N 2 1 334.504 3.202 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000787022441 1305675875 /nfs/dbraw/zinc/67/58/75/1305675875.db2.gz GQBBLUAJPLEYNK-INIZCTEOSA-N 2 1 328.859 3.365 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893103729 1305708155 /nfs/dbraw/zinc/70/81/55/1305708155.db2.gz SPXAUMONXPAATC-IMKFEJLOSA-N 2 1 341.543 3.358 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893103729 1305708170 /nfs/dbraw/zinc/70/81/70/1305708170.db2.gz SPXAUMONXPAATC-IMKFEJLOSA-N 3 1 341.543 3.358 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893103729 1305708176 /nfs/dbraw/zinc/70/81/76/1305708176.db2.gz SPXAUMONXPAATC-IMKFEJLOSA-N 3 1 341.543 3.358 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnn(C)c1C1CC1 ZINC000893328125 1305832866 /nfs/dbraw/zinc/83/28/66/1305832866.db2.gz VGOWMYHRBKYAKL-UHFFFAOYSA-N 2 1 326.488 3.428 20 0 EGADMP CCn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccccc2)n1 ZINC000894042595 1306188440 /nfs/dbraw/zinc/18/84/40/1306188440.db2.gz NQJPOMPSIPMHDJ-SFHVURJKSA-N 2 1 338.499 3.488 20 0 EGADMP CCn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccccc2)n1 ZINC000894042595 1306188445 /nfs/dbraw/zinc/18/84/45/1306188445.db2.gz NQJPOMPSIPMHDJ-SFHVURJKSA-N 2 1 338.499 3.488 20 0 EGADMP Cc1cc([C@@H](C)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793565362 1309405219 /nfs/dbraw/zinc/40/52/19/1309405219.db2.gz KBJDWMZYYDAVOY-YLJYHZDGSA-N 2 1 326.488 3.291 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793565362 1309405231 /nfs/dbraw/zinc/40/52/31/1309405231.db2.gz KBJDWMZYYDAVOY-YLJYHZDGSA-N 2 1 326.488 3.291 20 0 EGADMP Cn1cc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c(-c2cccnc2)n1 ZINC000895686438 1309465740 /nfs/dbraw/zinc/46/57/40/1309465740.db2.gz RRASDLYKMMPPTL-UHFFFAOYSA-N 2 1 341.503 3.180 20 0 EGADMP CN(CC[N@@H+](C)[C@H]1CCc2cc(Cl)ccc21)C1CC[NH+](C)CC1 ZINC000795971349 1309873159 /nfs/dbraw/zinc/87/31/59/1309873159.db2.gz KMZDXCAYKBTYPT-IBGZPJMESA-N 2 1 335.923 3.285 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1C ZINC000897415293 1310328430 /nfs/dbraw/zinc/32/84/30/1310328430.db2.gz XENWMYMEYJBYMU-APWZRJJASA-N 2 1 332.488 3.298 20 0 EGADMP Cc1ccccc1-n1nccc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956952 1310462786 /nfs/dbraw/zinc/46/27/86/1310462786.db2.gz RGSGQUJBRCOLLG-UHFFFAOYSA-N 2 1 338.499 3.489 20 0 EGADMP Cc1cc(NC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cn2cc[nH+]c12 ZINC000897849922 1310489987 /nfs/dbraw/zinc/48/99/87/1310489987.db2.gz LNSVJAWSEAPOHA-ROUUACIJSA-N 2 1 334.423 3.274 20 0 EGADMP Cc1cc(NC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cn2cc[nH+]c12 ZINC000897849922 1310489992 /nfs/dbraw/zinc/48/99/92/1310489992.db2.gz LNSVJAWSEAPOHA-ROUUACIJSA-N 2 1 334.423 3.274 20 0 EGADMP CSc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)[NH+](C)C)cc1 ZINC000897863947 1310497401 /nfs/dbraw/zinc/49/74/01/1310497401.db2.gz JESRGUQZJJSXKR-DLBZAZTESA-N 2 1 349.544 3.000 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178420 1310500219 /nfs/dbraw/zinc/50/02/19/1310500219.db2.gz RNSOIWAVINKTKY-UHFFFAOYSA-N 3 1 338.499 3.489 20 0 EGADMP CCN(C(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000799179014 1310500245 /nfs/dbraw/zinc/50/02/45/1310500245.db2.gz YDOVHGDTVMXZOI-GOSISDBHSA-N 2 1 349.563 3.364 20 0 EGADMP O[C@H](CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000898204576 1310626008 /nfs/dbraw/zinc/62/60/08/1310626008.db2.gz WSRHGCZETOWMQT-XRXFAXGQSA-N 2 1 328.500 3.038 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000898392391 1310707684 /nfs/dbraw/zinc/70/76/84/1310707684.db2.gz RXLNNGZIGVOJKC-JCXROGDPSA-N 2 1 336.479 3.287 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000898392391 1310707690 /nfs/dbraw/zinc/70/76/90/1310707690.db2.gz RXLNNGZIGVOJKC-JCXROGDPSA-N 2 1 336.479 3.287 20 0 EGADMP CN(CC[NH+]1CCCCC1)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857297008 1328526695 /nfs/dbraw/zinc/52/66/95/1328526695.db2.gz HWDXVKGKDVEHBZ-FQEVSTJZSA-N 2 1 343.515 3.054 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000900228779 1317255110 /nfs/dbraw/zinc/25/51/10/1317255110.db2.gz RBJDGWKUKJTUTG-KRWDZBQOSA-N 2 1 347.503 3.219 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000900228779 1317255116 /nfs/dbraw/zinc/25/51/16/1317255116.db2.gz RBJDGWKUKJTUTG-KRWDZBQOSA-N 2 1 347.503 3.219 20 0 EGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900530158 1317301312 /nfs/dbraw/zinc/30/13/12/1317301312.db2.gz VSTITPNQFXPILS-PMACEKPBSA-N 2 1 343.515 3.114 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001019820495 1317440020 /nfs/dbraw/zinc/44/00/20/1317440020.db2.gz MJVOYWHFHUHBHP-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP COc1ccccc1-c1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)on1 ZINC000902394687 1317572375 /nfs/dbraw/zinc/57/23/75/1317572375.db2.gz AELAQLDVJHMPJG-CQSZACIVSA-N 2 1 329.444 3.218 20 0 EGADMP CC[N@@H+](CC1CC1)CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000957713035 1317583860 /nfs/dbraw/zinc/58/38/60/1317583860.db2.gz ICUSKXHJFFJXNN-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020239147 1317605186 /nfs/dbraw/zinc/60/51/86/1317605186.db2.gz PWLLMQOXLJCWQS-VAMGGRTRSA-N 2 1 349.563 3.457 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001020239282 1317605299 /nfs/dbraw/zinc/60/52/99/1317605299.db2.gz VKZJECGBVZOKPD-VBSBHUPXSA-N 2 1 343.515 3.247 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cn(C)nn1 ZINC000902747843 1317612521 /nfs/dbraw/zinc/61/25/21/1317612521.db2.gz XZRGSXCRVMTSHD-JKSUJKDBSA-N 2 1 327.476 3.040 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cn(C)nn1 ZINC000902747843 1317612527 /nfs/dbraw/zinc/61/25/27/1317612527.db2.gz XZRGSXCRVMTSHD-JKSUJKDBSA-N 2 1 327.476 3.040 20 0 EGADMP C[C@H]1[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CCCN1C(=O)OC(C)(C)C ZINC000903015547 1317640588 /nfs/dbraw/zinc/64/05/88/1317640588.db2.gz FZUQDTRAGGAXON-DOTOQJQBSA-N 2 1 339.524 3.238 20 0 EGADMP CC[N@@H+](CC1CC1)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000957777903 1317642123 /nfs/dbraw/zinc/64/21/23/1317642123.db2.gz BVYYPQHETUIQHF-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP Fc1ccc(N2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903076577 1317647614 /nfs/dbraw/zinc/64/76/14/1317647614.db2.gz SGFJMULEYKMRKX-KXGHRTJOSA-N 2 1 343.490 3.399 20 0 EGADMP COc1cccc(O[C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903103130 1317653853 /nfs/dbraw/zinc/65/38/53/1317653853.db2.gz FGUBXKXLVBKNTG-UNPWZGGWSA-N 2 1 330.472 3.210 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@H]1C[C@@H](C)c3ccccc31)C2 ZINC000903118169 1317657001 /nfs/dbraw/zinc/65/70/01/1317657001.db2.gz WDYSOXIOCKIBOY-FFRPWAFZSA-N 2 1 328.500 3.304 20 0 EGADMP OC[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@H]1c1ccc(F)cc1 ZINC000903159716 1317665350 /nfs/dbraw/zinc/66/53/50/1317665350.db2.gz HNEJZLZHDOSDKJ-VUQUMOFBSA-N 2 1 344.474 3.039 20 0 EGADMP Fc1ccccc1N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903175882 1317668345 /nfs/dbraw/zinc/66/83/45/1317668345.db2.gz WYWUXRIIBDPKIN-DUZACMNTSA-N 2 1 329.463 3.152 20 0 EGADMP c1ccc2c(c1)CC[C@@H]2[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903722749 1317724917 /nfs/dbraw/zinc/72/49/17/1317724917.db2.gz OKWIKWXFHQRYPU-ICSRJNTNSA-N 2 1 326.484 3.297 20 0 EGADMP Fc1ccccc1C[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903766816 1317731389 /nfs/dbraw/zinc/73/13/89/1317731389.db2.gz BQOBDXHVMKITKX-OALUTQOASA-N 2 1 346.490 3.381 20 0 EGADMP COc1ccccc1[C@@H]1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903780765 1317731684 /nfs/dbraw/zinc/73/16/84/1317731684.db2.gz LDRJPTJZSCHZOL-OPYAIIAOSA-N 2 1 344.499 3.033 20 0 EGADMP FC(F)(F)CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903789207 1317733852 /nfs/dbraw/zinc/73/38/52/1317733852.db2.gz UUTAKZKBQFYFHF-UYTSQGDYSA-N 2 1 346.437 3.341 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCCC3)C2)CC[N@H+]1C ZINC001020511689 1317734955 /nfs/dbraw/zinc/73/49/55/1317734955.db2.gz DSZVUGIQAJIVFE-LEAZDLGRSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC(C)(C)[C@H](c3ccccc3)C2)n1 ZINC000903824418 1317738319 /nfs/dbraw/zinc/73/83/19/1317738319.db2.gz QHSDHPNWJHIQQZ-HNNXBMFYSA-N 2 1 328.460 3.279 20 0 EGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)C2 ZINC000903848293 1317738823 /nfs/dbraw/zinc/73/88/23/1317738823.db2.gz OZVILMXDXTUQHO-ZVDOUQERSA-N 2 1 349.478 3.031 20 0 EGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)C2 ZINC000903848293 1317738828 /nfs/dbraw/zinc/73/88/28/1317738828.db2.gz OZVILMXDXTUQHO-ZVDOUQERSA-N 2 1 349.478 3.031 20 0 EGADMP [NH3+][C@@H](C[NH2+][C@H](c1ccccc1)C1(CO)CCCCC1)CC(F)F ZINC000903929678 1317750558 /nfs/dbraw/zinc/75/05/58/1317750558.db2.gz JGBRDCTVAMWNDP-NVXWUHKLSA-N 2 1 326.431 3.243 20 0 EGADMP C[C@@H]1C[C@H](N(C)C[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000904320963 1317830496 /nfs/dbraw/zinc/83/04/96/1317830496.db2.gz SDWUPRZXHIQVFB-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000809718446 1317874767 /nfs/dbraw/zinc/87/47/67/1317874767.db2.gz UKRQGGOHCMPVDT-HLLBOEOZSA-N 2 1 339.524 3.094 20 0 EGADMP [NH3+]C1CC([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000906509593 1318110748 /nfs/dbraw/zinc/11/07/48/1318110748.db2.gz KZRPIBJUHDNPEM-UHFFFAOYSA-N 2 1 329.831 3.172 20 0 EGADMP c1ncc(-c2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cc2)o1 ZINC000906528515 1318112952 /nfs/dbraw/zinc/11/29/52/1318112952.db2.gz ZHWKDKWTXUFSJK-LJQANCHMSA-N 2 1 341.455 3.075 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccnc(Cl)c2Cl)C[C@H](C)O1 ZINC000811476353 1318182116 /nfs/dbraw/zinc/18/21/16/1318182116.db2.gz SIFSRFOQFCAAGI-BETUJISGSA-N 2 1 346.302 3.367 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001021399215 1318232814 /nfs/dbraw/zinc/23/28/14/1318232814.db2.gz DVFPWALMCODWBT-RAFMOHDBSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001021399215 1318232822 /nfs/dbraw/zinc/23/28/22/1318232822.db2.gz DVFPWALMCODWBT-RAFMOHDBSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001021399215 1318232826 /nfs/dbraw/zinc/23/28/26/1318232826.db2.gz DVFPWALMCODWBT-RAFMOHDBSA-N 2 1 347.547 3.161 20 0 EGADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC000908504534 1318357278 /nfs/dbraw/zinc/35/72/78/1318357278.db2.gz DBJIPGVMKBGLJU-MOPGFXCFSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000960130022 1318372121 /nfs/dbraw/zinc/37/21/21/1318372121.db2.gz DJAMMRSQWWNUHY-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCC2)C1 ZINC000960132307 1318372931 /nfs/dbraw/zinc/37/29/31/1318372931.db2.gz VUMNTBTWLJMLEN-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]2C[NH+](CCC(C)(C)C)CC[C@H]21)C1CCC1 ZINC001021604082 1318449183 /nfs/dbraw/zinc/44/91/83/1318449183.db2.gz AWUMLHCDIRNACI-IEBWSBKVSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@H]21)C1CCC1 ZINC001021604082 1318449188 /nfs/dbraw/zinc/44/91/88/1318449188.db2.gz AWUMLHCDIRNACI-IEBWSBKVSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@H]21)C1CCC1 ZINC001021604082 1318449193 /nfs/dbraw/zinc/44/91/93/1318449193.db2.gz AWUMLHCDIRNACI-IEBWSBKVSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cnnn1-c1ccccc1 ZINC000813322342 1318532365 /nfs/dbraw/zinc/53/23/65/1318532365.db2.gz BBNDUTOFGXQBJC-CQSZACIVSA-N 2 1 327.476 3.227 20 0 EGADMP c1cc2c(cc1C[NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCCC2 ZINC000813772530 1318629614 /nfs/dbraw/zinc/62/96/14/1318629614.db2.gz JTDQHZRSUATTMQ-OAQYLSRUSA-N 2 1 328.500 3.298 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)Cc1ccsc1 ZINC000960630643 1318755902 /nfs/dbraw/zinc/75/59/02/1318755902.db2.gz XKGFUGNXQATEEX-ROUUACIJSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccsc1 ZINC000960630643 1318755909 /nfs/dbraw/zinc/75/59/09/1318755909.db2.gz XKGFUGNXQATEEX-ROUUACIJSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccsc1 ZINC000960630643 1318755912 /nfs/dbraw/zinc/75/59/12/1318755912.db2.gz XKGFUGNXQATEEX-ROUUACIJSA-N 2 1 349.544 3.044 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001022279330 1318872084 /nfs/dbraw/zinc/87/20/84/1318872084.db2.gz WHQPUYDHQBUYCI-IYWMVGAKSA-N 2 1 345.531 3.131 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001022585491 1319004694 /nfs/dbraw/zinc/00/46/94/1319004694.db2.gz PGRNNJFGXRZFMV-AQNXPRMDSA-N 2 1 347.547 3.236 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCCC3)C2)CC[N@H+]1C ZINC001022600110 1319009884 /nfs/dbraw/zinc/00/98/84/1319009884.db2.gz DSZVUGIQAJIVFE-FRYIKTPZSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815577947 1319019123 /nfs/dbraw/zinc/01/91/23/1319019123.db2.gz DIAMHIPRITVTTB-HZPDHXFCSA-N 2 1 331.460 3.026 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN1C(=O)Cc1ncc[nH]1)CC1CCC(C)(C)CC1 ZINC000960942976 1319082418 /nfs/dbraw/zinc/08/24/18/1319082418.db2.gz CJLFGJJSQBBNMI-KRWDZBQOSA-N 2 1 346.519 3.091 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1=CCCCC1 ZINC000961031739 1319155258 /nfs/dbraw/zinc/15/52/58/1319155258.db2.gz OFDVQZJBDFGWML-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1=CCCCC1 ZINC000961031739 1319155262 /nfs/dbraw/zinc/15/52/62/1319155262.db2.gz OFDVQZJBDFGWML-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000961031739 1319155268 /nfs/dbraw/zinc/15/52/68/1319155268.db2.gz OFDVQZJBDFGWML-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@H](CN)C2CC2)cc1C[NH+]1CCCCC1 ZINC000817960667 1319478365 /nfs/dbraw/zinc/47/83/65/1319478365.db2.gz OZRUYOYRGLEMAM-HNAYVOBHSA-N 2 1 331.504 3.069 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001023402567 1319510054 /nfs/dbraw/zinc/51/00/54/1319510054.db2.gz OGAMBSVUVXQVOY-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001023402567 1319510059 /nfs/dbraw/zinc/51/00/59/1319510059.db2.gz OGAMBSVUVXQVOY-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001023402567 1319510064 /nfs/dbraw/zinc/51/00/64/1319510064.db2.gz OGAMBSVUVXQVOY-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP O[C@H](C[NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(Cl)cc1Cl ZINC000818959676 1319591014 /nfs/dbraw/zinc/59/10/14/1319591014.db2.gz QLUNYLQGKWZTDN-HRCADAONSA-N 2 1 329.271 3.243 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489988 1319594645 /nfs/dbraw/zinc/59/46/45/1319594645.db2.gz QEQKHKJTBLZVJW-KRWDZBQOSA-N 2 1 342.487 3.212 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000819101106 1319635051 /nfs/dbraw/zinc/63/50/51/1319635051.db2.gz MPUGUJSVHUFALW-MRXNPFEDSA-N 2 1 325.815 3.087 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001023696823 1319822919 /nfs/dbraw/zinc/82/29/19/1319822919.db2.gz XIFRSPBGEMGZAX-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001023696823 1319822930 /nfs/dbraw/zinc/82/29/30/1319822930.db2.gz XIFRSPBGEMGZAX-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001023696823 1319822939 /nfs/dbraw/zinc/82/29/39/1319822939.db2.gz XIFRSPBGEMGZAX-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+](C)[C@@H](c1nc(-c2ccc(C[NH3+])cc2F)no1)c1ccccc1 ZINC000822901105 1320134605 /nfs/dbraw/zinc/13/46/05/1320134605.db2.gz NYJDKTQCDCIOJP-QGZVFWFLSA-N 2 1 340.402 3.376 20 0 EGADMP CC[N@@H+](C)[C@@H](c1nc(-c2ccc(C[NH3+])cc2F)no1)c1ccccc1 ZINC000822901105 1320134607 /nfs/dbraw/zinc/13/46/07/1320134607.db2.gz NYJDKTQCDCIOJP-QGZVFWFLSA-N 2 1 340.402 3.376 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000825762544 1320361416 /nfs/dbraw/zinc/36/14/16/1320361416.db2.gz NOHDTKXFCDNBBL-GOSISDBHSA-N 2 1 346.515 3.408 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](O)c1c(F)cccc1Cl ZINC000838966827 1320844225 /nfs/dbraw/zinc/84/42/25/1320844225.db2.gz HRDBTFFRPPWEMN-PIGZYNQJSA-N 2 1 326.843 3.117 20 0 EGADMP CN(C)c1cc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)ccn1 ZINC000838996562 1320848598 /nfs/dbraw/zinc/84/85/98/1320848598.db2.gz NKKLWODIINGFLP-UHFFFAOYSA-N 2 1 347.466 3.018 20 0 EGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839201090 1320893341 /nfs/dbraw/zinc/89/33/41/1320893341.db2.gz MZPKBZALPPPQRW-INIZCTEOSA-N 2 1 337.895 3.453 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839201090 1320893347 /nfs/dbraw/zinc/89/33/47/1320893347.db2.gz MZPKBZALPPPQRW-INIZCTEOSA-N 2 1 337.895 3.453 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000840807821 1321153431 /nfs/dbraw/zinc/15/34/31/1321153431.db2.gz GODJICXUIKAHNX-HOTGVXAUSA-N 2 1 331.460 3.026 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(Br)ncc1F ZINC000840810380 1321154026 /nfs/dbraw/zinc/15/40/26/1321154026.db2.gz SUBQJEPKFUOMLS-NWDGAFQWSA-N 2 1 344.272 3.366 20 0 EGADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000841381903 1321267343 /nfs/dbraw/zinc/26/73/43/1321267343.db2.gz QTFFUJAHCZEFQW-SFHVURJKSA-N 2 1 349.438 3.207 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)Nc2cc(F)ccc2F)cc1 ZINC000859215055 1328948094 /nfs/dbraw/zinc/94/80/94/1328948094.db2.gz XQLLURJTYHFMCQ-UHFFFAOYSA-N 2 1 347.409 3.097 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)Nc2cc(F)ccc2F)cc1 ZINC000859215055 1328948098 /nfs/dbraw/zinc/94/80/98/1328948098.db2.gz XQLLURJTYHFMCQ-UHFFFAOYSA-N 2 1 347.409 3.097 20 0 EGADMP Cc1ccccc1SC[C@@H](C)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000859215530 1328949408 /nfs/dbraw/zinc/94/94/08/1328949408.db2.gz JIKVYLUHOBOWST-SFHVURJKSA-N 2 1 349.588 3.293 20 0 EGADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000842472284 1321392498 /nfs/dbraw/zinc/39/24/98/1321392498.db2.gz WAGSLGWCGGVBTH-IBGZPJMESA-N 2 1 331.504 3.180 20 0 EGADMP O[C@H](C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1)c1ccsc1 ZINC000842473118 1321393065 /nfs/dbraw/zinc/39/30/65/1321393065.db2.gz POEDLDJCQPUKIV-VQIMIIECSA-N 2 1 330.497 3.283 20 0 EGADMP CC(C)[C@H]([NH3+])c1noc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000843152145 1321479688 /nfs/dbraw/zinc/47/96/88/1321479688.db2.gz QJHLXWYTKGDFAK-ZBFHGGJFSA-N 2 1 332.423 3.244 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000843386799 1321509690 /nfs/dbraw/zinc/50/96/90/1321509690.db2.gz MJHNZPFYNIYHQK-SJORKVTESA-N 2 1 340.467 3.313 20 0 EGADMP CC(C)(C)c1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000843388696 1321510502 /nfs/dbraw/zinc/51/05/02/1321510502.db2.gz WJAPCULVUIHFCA-IRXDYDNUSA-N 2 1 343.515 3.244 20 0 EGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000845942725 1321756484 /nfs/dbraw/zinc/75/64/84/1321756484.db2.gz RPQNAWPDJRECTP-OALUTQOASA-N 2 1 326.488 3.452 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc4nonc4c3)C2)CC1 ZINC000846787790 1321808269 /nfs/dbraw/zinc/80/82/69/1321808269.db2.gz FDANQCMIMRAUEY-KRWDZBQOSA-N 2 1 328.460 3.167 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc4nonc4c3)C2)CC1 ZINC000846787790 1321808273 /nfs/dbraw/zinc/80/82/73/1321808273.db2.gz FDANQCMIMRAUEY-KRWDZBQOSA-N 2 1 328.460 3.167 20 0 EGADMP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC000848524516 1321968432 /nfs/dbraw/zinc/96/84/32/1321968432.db2.gz HBMWTRSCAMRSJI-CVEARBPZSA-N 2 1 327.513 3.142 20 0 EGADMP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC000848524516 1321968435 /nfs/dbraw/zinc/96/84/35/1321968435.db2.gz HBMWTRSCAMRSJI-CVEARBPZSA-N 2 1 327.513 3.142 20 0 EGADMP Clc1ccc2[nH]cc(CC[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000848530189 1321970374 /nfs/dbraw/zinc/97/03/74/1321970374.db2.gz WWPNUFUFRCDRAZ-KRWDZBQOSA-N 2 1 347.890 3.207 20 0 EGADMP Clc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000848549598 1321974043 /nfs/dbraw/zinc/97/40/43/1321974043.db2.gz XJRQWMJNMNYCQY-OALUTQOASA-N 2 1 334.891 3.040 20 0 EGADMP Cc1[nH+]ccn1CCCCOC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000848776855 1322007658 /nfs/dbraw/zinc/00/76/58/1322007658.db2.gz LGVLJHHBGATHSB-LJQANCHMSA-N 2 1 341.455 3.037 20 0 EGADMP Cc1[nH+]ccn1CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848776855 1322007668 /nfs/dbraw/zinc/00/76/68/1322007668.db2.gz LGVLJHHBGATHSB-LJQANCHMSA-N 2 1 341.455 3.037 20 0 EGADMP C[C@H]1C[C@@H](CCNC(=[NH2+])NCC2CCC2)C[N@H+]1Cc1ccccc1 ZINC000848989918 1322056919 /nfs/dbraw/zinc/05/69/19/1322056919.db2.gz LHAFCWKIRXTBSN-QFBILLFUSA-N 2 1 328.504 3.201 20 0 EGADMP C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000849063916 1322062768 /nfs/dbraw/zinc/06/27/68/1322062768.db2.gz UWPPKJYVPIGURY-HKUYNNGSSA-N 2 1 328.504 3.155 20 0 EGADMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)C1 ZINC000849082484 1322071301 /nfs/dbraw/zinc/07/13/01/1322071301.db2.gz DENYCCBAGBISSY-LBPRGKRZSA-N 2 1 344.381 3.253 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(NC(=O)OC(C)(C)C)CCCC1 ZINC000849351146 1322117258 /nfs/dbraw/zinc/11/72/58/1322117258.db2.gz UGGFDNHPXYYKFD-UHFFFAOYSA-N 2 1 348.491 3.075 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000850036433 1322187579 /nfs/dbraw/zinc/18/75/79/1322187579.db2.gz RNWWOHKTFUUUKT-INIZCTEOSA-N 2 1 334.504 3.453 20 0 EGADMP Cc1[nH+]cc(CNc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)n1C ZINC000850169790 1322200704 /nfs/dbraw/zinc/20/07/04/1322200704.db2.gz QATRUYGLVGHFED-HNNXBMFYSA-N 2 1 328.460 3.061 20 0 EGADMP Cc1[nH+]cc(CNc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)n1C ZINC000850169790 1322200707 /nfs/dbraw/zinc/20/07/07/1322200707.db2.gz QATRUYGLVGHFED-HNNXBMFYSA-N 2 1 328.460 3.061 20 0 EGADMP Cc1c(Br)cncc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000850175372 1322202164 /nfs/dbraw/zinc/20/21/64/1322202164.db2.gz XARZLXPUVLHVCH-KBPBESRZSA-N 2 1 326.282 3.115 20 0 EGADMP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000921767646 1322395224 /nfs/dbraw/zinc/39/52/24/1322395224.db2.gz UQCROIFABRVUKH-IYWMVGAKSA-N 2 1 348.556 3.133 20 0 EGADMP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000921767646 1322395229 /nfs/dbraw/zinc/39/52/29/1322395229.db2.gz UQCROIFABRVUKH-IYWMVGAKSA-N 2 1 348.556 3.133 20 0 EGADMP CC(C)(C)c1csc([C@H]2CCCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923323513 1322733916 /nfs/dbraw/zinc/73/39/16/1322733916.db2.gz HMYOSFWRVXWOEQ-LSDHHAIUSA-N 2 1 349.544 3.346 20 0 EGADMP CC(C)(C)c1csc([C@H]2CCCC[N@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923323513 1322733921 /nfs/dbraw/zinc/73/39/21/1322733921.db2.gz HMYOSFWRVXWOEQ-LSDHHAIUSA-N 2 1 349.544 3.346 20 0 EGADMP [NH3+]CC[C@H]1CC[N@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC000923478965 1322759818 /nfs/dbraw/zinc/75/98/18/1322759818.db2.gz KSNJZQBYIOTJBW-JTQLQIEISA-N 2 1 341.242 3.214 20 0 EGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC000923478965 1322759820 /nfs/dbraw/zinc/75/98/20/1322759820.db2.gz KSNJZQBYIOTJBW-JTQLQIEISA-N 2 1 341.242 3.214 20 0 EGADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000923491336 1322760982 /nfs/dbraw/zinc/76/09/82/1322760982.db2.gz IANAHCOTHJTEDY-INIZCTEOSA-N 2 1 339.439 3.088 20 0 EGADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000923494238 1322761214 /nfs/dbraw/zinc/76/12/14/1322761214.db2.gz WPZBXHXEFDWICR-MRXNPFEDSA-N 2 1 339.439 3.088 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1-c1noc([C@@H](C)[NH+](C)C)n1 ZINC000923798731 1322812785 /nfs/dbraw/zinc/81/27/85/1322812785.db2.gz HMWIYPMQISXHTJ-CQSZACIVSA-N 2 1 332.448 3.080 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001024010782 1323078131 /nfs/dbraw/zinc/07/81/31/1323078131.db2.gz XEPQJOZZJPGMHA-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001024023703 1323082108 /nfs/dbraw/zinc/08/21/08/1323082108.db2.gz OEOPKHLOSHTGCK-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cccc(F)n1 ZINC000851889427 1323107766 /nfs/dbraw/zinc/10/77/66/1323107766.db2.gz IWCWCOPGSZLXOQ-UHFFFAOYSA-N 2 1 328.435 3.354 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc[nH]c(=O)c1 ZINC000924874371 1323195800 /nfs/dbraw/zinc/19/58/00/1323195800.db2.gz PSZVUOAGQWXCDK-GJZGRUSLSA-N 2 1 331.485 3.412 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc[nH]c(=O)c1 ZINC000924874371 1323195806 /nfs/dbraw/zinc/19/58/06/1323195806.db2.gz PSZVUOAGQWXCDK-GJZGRUSLSA-N 2 1 331.485 3.412 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001024187549 1323198648 /nfs/dbraw/zinc/19/86/48/1323198648.db2.gz ZOGKASBMRNQBHY-GOSISDBHSA-N 2 1 346.519 3.025 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000924948348 1323226003 /nfs/dbraw/zinc/22/60/03/1323226003.db2.gz CCDMZMQSUXOSCG-MBOZVWFJSA-N 2 1 326.488 3.080 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)c1 ZINC000924962165 1323229467 /nfs/dbraw/zinc/22/94/67/1323229467.db2.gz ZSVVSXYSEUDWKZ-RTWAWAEBSA-N 2 1 340.515 3.373 20 0 EGADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)Cc3ccccn3)CCCC2)CC1 ZINC000925000776 1323240819 /nfs/dbraw/zinc/24/08/19/1323240819.db2.gz LJIQHBCKNRQYBV-KRWDZBQOSA-N 2 1 331.504 3.026 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cn(C)cn3)CC2)cs1 ZINC000925032988 1323250573 /nfs/dbraw/zinc/25/05/73/1323250573.db2.gz YJFAAFBYFSLZIU-CQSZACIVSA-N 2 1 347.532 3.002 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2=CCCCC2)CC[N@H+]1C ZINC001024448717 1323407911 /nfs/dbraw/zinc/40/79/11/1323407911.db2.gz WKSBOPRQVJRZNQ-SLFFLAALSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC2=CCCCC2)CC[NH+]1C ZINC001024448717 1323407914 /nfs/dbraw/zinc/40/79/14/1323407914.db2.gz WKSBOPRQVJRZNQ-SLFFLAALSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC2=CCCCC2)CC[NH+]1C ZINC001024448717 1323407917 /nfs/dbraw/zinc/40/79/17/1323407917.db2.gz WKSBOPRQVJRZNQ-SLFFLAALSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024467779 1323423548 /nfs/dbraw/zinc/42/35/48/1323423548.db2.gz HCFJENDUWLBYGG-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001024467779 1323423551 /nfs/dbraw/zinc/42/35/51/1323423551.db2.gz HCFJENDUWLBYGG-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC(C)(C)C ZINC001024467779 1323423552 /nfs/dbraw/zinc/42/35/52/1323423552.db2.gz HCFJENDUWLBYGG-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1c(C(=O)NC[C@@H]2CCCC[N@@H+]2CCC(C)C)ccc2c[nH+]cn21 ZINC001024520195 1323468706 /nfs/dbraw/zinc/46/87/06/1323468706.db2.gz FUVBXVYKPMPFSZ-KRWDZBQOSA-N 2 1 342.487 3.273 20 0 EGADMP O=C(NC[C@@H]1CCCC[N@H+]1CC1CCCC1)c1ccc2c[nH+]cn2c1 ZINC001024557567 1323497200 /nfs/dbraw/zinc/49/72/00/1323497200.db2.gz YIDAETUQINXCHB-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CCCC2CCCC2)CC1 ZINC001024633582 1323560773 /nfs/dbraw/zinc/56/07/73/1323560773.db2.gz KZBDYZTVGPJURS-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C/C=C\Cl)c1 ZINC001024810397 1323713651 /nfs/dbraw/zinc/71/36/51/1323713651.db2.gz DILZYLZGCLPJAU-TWVNLXSWSA-N 2 1 349.906 3.085 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCCC[N@H+]2C/C=C\Cl)c1 ZINC001024810397 1323713655 /nfs/dbraw/zinc/71/36/55/1323713655.db2.gz DILZYLZGCLPJAU-TWVNLXSWSA-N 2 1 349.906 3.085 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001024962307 1323802213 /nfs/dbraw/zinc/80/22/13/1323802213.db2.gz NUMOUYIFRCEUSG-QZTJIDSGSA-N 2 1 349.544 3.092 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001024989663 1323815549 /nfs/dbraw/zinc/81/55/49/1323815549.db2.gz VXOUZUNUEPKIQC-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H](c1nc2ccccc2n1C(F)F)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931440461 1329118280 /nfs/dbraw/zinc/11/82/80/1329118280.db2.gz HZPAGRIPHXLDOV-MELADBBJSA-N 2 1 334.414 3.376 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001025104818 1323897520 /nfs/dbraw/zinc/89/75/20/1323897520.db2.gz HMFAFXKGLIKEHB-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001025161008 1323930051 /nfs/dbraw/zinc/93/00/51/1323930051.db2.gz ZGBAPFNJCHHSKZ-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1sccc1C[NH+](C)C ZINC001025236326 1324026706 /nfs/dbraw/zinc/02/67/06/1324026706.db2.gz FIIMGRPQWRGIJV-DLBZAZTESA-N 2 1 349.544 3.289 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1sccc1C[NH+](C)C ZINC001025236326 1324026712 /nfs/dbraw/zinc/02/67/12/1324026712.db2.gz FIIMGRPQWRGIJV-DLBZAZTESA-N 2 1 349.544 3.289 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025245915 1324044779 /nfs/dbraw/zinc/04/47/79/1324044779.db2.gz AEFCZBHUEKXAMU-MOPGFXCFSA-N 2 1 340.471 3.203 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001025279334 1324101255 /nfs/dbraw/zinc/10/12/55/1324101255.db2.gz ZYBJTAITUNRMMC-UXHICEINSA-N 2 1 343.515 3.227 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279533 1324102221 /nfs/dbraw/zinc/10/22/21/1324102221.db2.gz DDUZLFDXFOTTQM-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450897 1324293145 /nfs/dbraw/zinc/29/31/45/1324293145.db2.gz CDYDTBQFXJKRTF-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccsc2)CC1 ZINC001026492187 1324845986 /nfs/dbraw/zinc/84/59/86/1324845986.db2.gz FCZUMOUNGJUAST-ABHNRTSZSA-N 2 1 349.544 3.138 20 0 EGADMP CC(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001026547230 1324884458 /nfs/dbraw/zinc/88/44/58/1324884458.db2.gz ATPVKGWNORHXAE-AFMYVXGZSA-N 2 1 349.563 3.457 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001026561128 1324896546 /nfs/dbraw/zinc/89/65/46/1324896546.db2.gz PDYJOWIYNZPGFL-IPJUCJBFSA-N 2 1 335.536 3.068 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC3CCCCCC3)C2)CC[N@H+]1C ZINC001026856321 1325044371 /nfs/dbraw/zinc/04/43/71/1325044371.db2.gz XQGWRHKHBDOCFD-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000925115874 1325052244 /nfs/dbraw/zinc/05/22/44/1325052244.db2.gz VENVWXRVVVMHRF-LMMKCTJWSA-N 2 1 343.515 3.297 20 0 EGADMP CON1CCC([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000925131578 1325057386 /nfs/dbraw/zinc/05/73/86/1325057386.db2.gz DELSLXYFHPOCIV-UHFFFAOYSA-N 2 1 343.471 3.027 20 0 EGADMP CC[S@](=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCC(C)C)CC2)C1 ZINC000925226646 1325087601 /nfs/dbraw/zinc/08/76/01/1325087601.db2.gz PXSQAVGSSSPMSQ-SPEDKVCISA-N 2 1 328.566 3.166 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000963307514 1325088770 /nfs/dbraw/zinc/08/87/70/1325088770.db2.gz YXGVFDQKDRWANE-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328707 1325113287 /nfs/dbraw/zinc/11/32/87/1325113287.db2.gz RTRWEPYXSUGLMH-RBUKOAKNSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963359016 1325154131 /nfs/dbraw/zinc/15/41/31/1325154131.db2.gz ZWKCCMJOWWPADW-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001027103903 1325229216 /nfs/dbraw/zinc/22/92/16/1325229216.db2.gz IFPYNWYWXLPGSO-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1CCC([NH2+]CC2CC2)CC1 ZINC000963434055 1325243077 /nfs/dbraw/zinc/24/30/77/1325243077.db2.gz UCNIALPBAMYAIX-CTWPCTMYSA-N 2 1 335.536 3.019 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN[C@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cc1 ZINC000925655068 1325250295 /nfs/dbraw/zinc/25/02/95/1325250295.db2.gz UHVRLLOFTMGQLV-HJNYFJLDSA-N 2 1 341.543 3.266 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cc1 ZINC000925655068 1325250302 /nfs/dbraw/zinc/25/03/02/1325250302.db2.gz UHVRLLOFTMGQLV-HJNYFJLDSA-N 3 1 341.543 3.266 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cc1 ZINC000925655068 1325250309 /nfs/dbraw/zinc/25/03/09/1325250309.db2.gz UHVRLLOFTMGQLV-HJNYFJLDSA-N 3 1 341.543 3.266 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CCC([NH2+]Cc2ccccc2)CC1 ZINC000963908409 1325431334 /nfs/dbraw/zinc/43/13/34/1325431334.db2.gz SLHUPLGAQZYZQK-QHGAOEGBSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000963907657 1325431587 /nfs/dbraw/zinc/43/15/87/1325431587.db2.gz GYYGECIKHXGAEO-IVMQYODDSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2 ZINC000963927452 1325445527 /nfs/dbraw/zinc/44/55/27/1325445527.db2.gz VGBNHBLUCOOEQQ-MBEFBZSESA-N 2 1 347.547 3.068 20 0 EGADMP C[NH+](C)C[C@H]1CCCCN1C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857141965 1325580568 /nfs/dbraw/zinc/58/05/68/1325580568.db2.gz OQHNQFDTMMLCJV-WOJBJXKFSA-N 2 1 343.515 3.052 20 0 EGADMP C[N@@H+](CCC1CCCCC1)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027464868 1327717073 /nfs/dbraw/zinc/71/70/73/1327717073.db2.gz IMWVAPDOZHOTOX-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCCC1)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001027464868 1327717079 /nfs/dbraw/zinc/71/70/79/1327717079.db2.gz IMWVAPDOZHOTOX-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCCC1)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001027464868 1327717089 /nfs/dbraw/zinc/71/70/89/1327717089.db2.gz IMWVAPDOZHOTOX-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH+](C)CC3CCCC3)C2)C1 ZINC001027542376 1327844397 /nfs/dbraw/zinc/84/43/97/1327844397.db2.gz KWZAHCDFSUGXGY-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[C@H]([N@H+](C)CC3CCCC3)C2)C1 ZINC001027542376 1327844405 /nfs/dbraw/zinc/84/44/05/1327844405.db2.gz KWZAHCDFSUGXGY-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)CC3CCCC3)C2)C1 ZINC001027542376 1327844414 /nfs/dbraw/zinc/84/44/14/1327844414.db2.gz KWZAHCDFSUGXGY-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CC1CC1)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027541848 1327845243 /nfs/dbraw/zinc/84/52/43/1327845243.db2.gz CBKVVJSCGWMIFQ-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CC1)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027541848 1327845246 /nfs/dbraw/zinc/84/52/46/1327845246.db2.gz CBKVVJSCGWMIFQ-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CC1)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027541848 1327845250 /nfs/dbraw/zinc/84/52/50/1327845250.db2.gz CBKVVJSCGWMIFQ-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1)[NH+](C)C ZINC001027578489 1327912399 /nfs/dbraw/zinc/91/23/99/1327912399.db2.gz LNXKHKXRJYQHEE-MOPGFXCFSA-N 2 1 335.536 3.140 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCCC2)C1)[NH+](C)C ZINC001027578109 1327914553 /nfs/dbraw/zinc/91/45/53/1327914553.db2.gz CUPNIOBJBPXTBK-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577086 1327914680 /nfs/dbraw/zinc/91/46/80/1327914680.db2.gz DDPBZKCBSBLITB-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001027577086 1327914689 /nfs/dbraw/zinc/91/46/89/1327914689.db2.gz DDPBZKCBSBLITB-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001027577086 1327914700 /nfs/dbraw/zinc/91/47/00/1327914700.db2.gz DDPBZKCBSBLITB-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC001027599023 1327949918 /nfs/dbraw/zinc/94/99/18/1327949918.db2.gz YOQOGRMUXRLYIF-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027599023 1327949927 /nfs/dbraw/zinc/94/99/27/1327949927.db2.gz YOQOGRMUXRLYIF-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647041 1328023503 /nfs/dbraw/zinc/02/35/03/1328023503.db2.gz KWWMEMLELGYPQL-CTNGQTDRSA-N 2 1 345.531 3.042 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027693496 1328098402 /nfs/dbraw/zinc/09/84/02/1328098402.db2.gz CMPLFWCLUSQNRC-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001027693496 1328098411 /nfs/dbraw/zinc/09/84/11/1328098411.db2.gz CMPLFWCLUSQNRC-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001027693496 1328098418 /nfs/dbraw/zinc/09/84/18/1328098418.db2.gz CMPLFWCLUSQNRC-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027693722 1328099029 /nfs/dbraw/zinc/09/90/29/1328099029.db2.gz HUMJRHFWRCMTDH-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027878774 1328344218 /nfs/dbraw/zinc/34/42/18/1328344218.db2.gz ILEUTCBBOYWDLO-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC001027878774 1328344228 /nfs/dbraw/zinc/34/42/28/1328344228.db2.gz ILEUTCBBOYWDLO-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCCC1 ZINC001027878774 1328344232 /nfs/dbraw/zinc/34/42/32/1328344232.db2.gz ILEUTCBBOYWDLO-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001027878716 1328346172 /nfs/dbraw/zinc/34/61/72/1328346172.db2.gz HKTWAGILSKMBQV-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001027878716 1328346174 /nfs/dbraw/zinc/34/61/74/1328346174.db2.gz HKTWAGILSKMBQV-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001027878716 1328346183 /nfs/dbraw/zinc/34/61/83/1328346183.db2.gz HKTWAGILSKMBQV-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027912377 1328387096 /nfs/dbraw/zinc/38/70/96/1328387096.db2.gz BFCHWDXONWACOL-INIZCTEOSA-N 2 1 337.533 3.050 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027912377 1328387107 /nfs/dbraw/zinc/38/71/07/1328387107.db2.gz BFCHWDXONWACOL-INIZCTEOSA-N 2 1 337.533 3.050 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CCCC1CCC1)C12CCC[NH+](CCC1)C2 ZINC001027963758 1328434870 /nfs/dbraw/zinc/43/48/70/1328434870.db2.gz DHSZZHHXIJOEAJ-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1=CCCCC1 ZINC001027986382 1328458083 /nfs/dbraw/zinc/45/80/83/1328458083.db2.gz VRDIZUPSORNIHN-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001027986382 1328458087 /nfs/dbraw/zinc/45/80/87/1328458087.db2.gz VRDIZUPSORNIHN-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001027986382 1328458094 /nfs/dbraw/zinc/45/80/94/1328458094.db2.gz VRDIZUPSORNIHN-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029752 1328492538 /nfs/dbraw/zinc/49/25/38/1328492538.db2.gz KWVJKRUJTUBRTC-LJQANCHMSA-N 2 1 348.450 3.037 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028046089 1328511697 /nfs/dbraw/zinc/51/16/97/1328511697.db2.gz YJRILRWOVTUZCI-IEBWSBKVSA-N 2 1 345.531 3.031 20 0 EGADMP COc1cccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1F ZINC000863540855 1329562003 /nfs/dbraw/zinc/56/20/03/1329562003.db2.gz DXHGKGUKFLTQOE-OXQOHEQNSA-N 2 1 342.414 3.180 20 0 EGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000865435159 1329697049 /nfs/dbraw/zinc/69/70/49/1329697049.db2.gz KPJBPLYBHCAFEO-UHFFFAOYSA-N 2 1 343.515 3.277 20 0 EGADMP C[C@@H](CC[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)[NH+]1CCCCC1 ZINC000865525897 1329709179 /nfs/dbraw/zinc/70/91/79/1329709179.db2.gz IOPPTNRWNGCHSV-SFHVURJKSA-N 2 1 343.515 3.277 20 0 EGADMP CC(=O)NCC1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000865804764 1329739961 /nfs/dbraw/zinc/73/99/61/1329739961.db2.gz HCKSOEMTERZJME-AFMYVXGZSA-N 2 1 335.536 3.068 20 0 EGADMP CC(=O)NCC1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000865804764 1329739963 /nfs/dbraw/zinc/73/99/63/1329739963.db2.gz HCKSOEMTERZJME-AFMYVXGZSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)[NH2+]C1CCN(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000934068608 1329943811 /nfs/dbraw/zinc/94/38/11/1329943811.db2.gz FIZDBJLRBBGNQD-UHFFFAOYSA-N 2 1 345.491 3.066 20 0 EGADMP C[NH+](C)[C@H]1CCCN(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000934080913 1329945318 /nfs/dbraw/zinc/94/53/18/1329945318.db2.gz AKLXTHVKOLAKOX-KRWDZBQOSA-N 2 1 345.491 3.020 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)CC1(C)OCCO1 ZINC000866424025 1330109756 /nfs/dbraw/zinc/10/97/56/1330109756.db2.gz FBFKRGJZDSLAHK-CMKODMSKSA-N 2 1 346.515 3.276 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)CC1(C)OCCO1 ZINC000866424025 1330109757 /nfs/dbraw/zinc/10/97/57/1330109757.db2.gz FBFKRGJZDSLAHK-CMKODMSKSA-N 2 1 346.515 3.276 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866423956 1330109887 /nfs/dbraw/zinc/10/98/87/1330109887.db2.gz BINSHPKUPPUUTF-NLWGTHIKSA-N 2 1 346.515 3.276 20 0 EGADMP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866590849 1330130321 /nfs/dbraw/zinc/13/03/21/1330130321.db2.gz WPAXINFQTIIDMM-IBGZPJMESA-N 2 1 337.458 3.128 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3c(Cl)cncc3Cl)C2)C1 ZINC000866667639 1330139618 /nfs/dbraw/zinc/13/96/18/1330139618.db2.gz TUDSGQWQMAIKAR-HWWQOWPSSA-N 2 1 344.286 3.107 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3c(Cl)cncc3Cl)C2)C1 ZINC000866667639 1330139620 /nfs/dbraw/zinc/13/96/20/1330139620.db2.gz TUDSGQWQMAIKAR-HWWQOWPSSA-N 2 1 344.286 3.107 20 0 EGADMP COc1ccccc1[C@H]1CCC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000866717746 1330144216 /nfs/dbraw/zinc/14/42/16/1330144216.db2.gz OIISOZKHMSCWOY-AWEZNQCLSA-N 2 1 344.459 3.042 20 0 EGADMP COc1ccccc1[C@H]1CCC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000866717746 1330144217 /nfs/dbraw/zinc/14/42/17/1330144217.db2.gz OIISOZKHMSCWOY-AWEZNQCLSA-N 2 1 344.459 3.042 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCC2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942257106 1331889964 /nfs/dbraw/zinc/88/99/64/1331889964.db2.gz JDCKHWFRZGCTQM-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942581123 1331987141 /nfs/dbraw/zinc/98/71/41/1331987141.db2.gz AKMZHAOIMFBLIN-CRAIPNDOSA-N 2 1 349.519 3.218 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945089331 1332496993 /nfs/dbraw/zinc/49/69/93/1332496993.db2.gz FZUAPTAOSUMUHQ-YLJYHZDGSA-N 2 1 345.531 3.235 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947362458 1333104227 /nfs/dbraw/zinc/10/42/27/1333104227.db2.gz XDKKWOKABLOMKQ-GDBMZVCRSA-N 2 1 337.533 3.193 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CC1CCCCC1 ZINC000947498569 1333147996 /nfs/dbraw/zinc/14/79/96/1333147996.db2.gz WBHBBBPZIFXLKJ-IEBWSBKVSA-N 2 1 347.547 3.164 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947615140 1333193213 /nfs/dbraw/zinc/19/32/13/1333193213.db2.gz FLLDDIRFUZGCPN-FUHWJXTLSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1CC(C)(C)C1 ZINC000947615829 1333193837 /nfs/dbraw/zinc/19/38/37/1333193837.db2.gz LSMACOHJKQDSEK-SJLPKXTDSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1CCCC1 ZINC000947616004 1333193983 /nfs/dbraw/zinc/19/39/83/1333193983.db2.gz NRRCIFJVCCDPKI-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC1CC(C)(C)C1 ZINC000947775516 1333257613 /nfs/dbraw/zinc/25/76/13/1333257613.db2.gz OJMKAXWKDXSVTH-APWZRJJASA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1C/C=C\Cl ZINC000947799627 1333265094 /nfs/dbraw/zinc/26/50/94/1333265094.db2.gz CAZMCHZKWKLUEW-YWEIOQIGSA-N 2 1 349.906 3.083 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947800189 1333265358 /nfs/dbraw/zinc/26/53/58/1333265358.db2.gz GPTCYAFRHJNUTL-PXNSSMCTSA-N 2 1 343.515 3.297 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[N@@H+]1CCC(C)(C)C ZINC000947939890 1333312755 /nfs/dbraw/zinc/31/27/55/1333312755.db2.gz LZHAGBVOGBRQSR-HOTGVXAUSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[N@H+]1CCC(C)(C)C ZINC000947939890 1333312757 /nfs/dbraw/zinc/31/27/57/1333312757.db2.gz LZHAGBVOGBRQSR-HOTGVXAUSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC3CCC3)CC2)C1 ZINC000948435695 1333523509 /nfs/dbraw/zinc/52/35/09/1333523509.db2.gz NZGWNQSDSLBJCW-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CC3CCC3)CC2)C1 ZINC000948435695 1333523511 /nfs/dbraw/zinc/52/35/11/1333523511.db2.gz NZGWNQSDSLBJCW-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CC3CCC3)CC2)C1 ZINC000948435695 1333523514 /nfs/dbraw/zinc/52/35/14/1333523514.db2.gz NZGWNQSDSLBJCW-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439577 1333526254 /nfs/dbraw/zinc/52/62/54/1333526254.db2.gz SBUOJUHTTAGHDV-QUCCMNQESA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439577 1333526258 /nfs/dbraw/zinc/52/62/58/1333526258.db2.gz SBUOJUHTTAGHDV-QUCCMNQESA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439577 1333526261 /nfs/dbraw/zinc/52/62/61/1333526261.db2.gz SBUOJUHTTAGHDV-QUCCMNQESA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948439971 1333526346 /nfs/dbraw/zinc/52/63/46/1333526346.db2.gz XWGFNWJPZZRFRC-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948439971 1333526348 /nfs/dbraw/zinc/52/63/48/1333526348.db2.gz XWGFNWJPZZRFRC-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948439971 1333526350 /nfs/dbraw/zinc/52/63/50/1333526350.db2.gz XWGFNWJPZZRFRC-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000948553665 1333572410 /nfs/dbraw/zinc/57/24/10/1333572410.db2.gz JYUSQDKCODDWDI-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC000948553665 1333572414 /nfs/dbraw/zinc/57/24/14/1333572414.db2.gz JYUSQDKCODDWDI-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC000948553665 1333572417 /nfs/dbraw/zinc/57/24/17/1333572417.db2.gz JYUSQDKCODDWDI-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000948553569 1333572588 /nfs/dbraw/zinc/57/25/88/1333572588.db2.gz ITXNIVRWGGBUEH-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000948553569 1333572590 /nfs/dbraw/zinc/57/25/90/1333572590.db2.gz ITXNIVRWGGBUEH-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000948553569 1333572592 /nfs/dbraw/zinc/57/25/92/1333572592.db2.gz ITXNIVRWGGBUEH-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC000948620038 1333599605 /nfs/dbraw/zinc/59/96/05/1333599605.db2.gz BDCXSXHKQMHYOQ-HQOGMNCSSA-N 2 1 346.862 3.013 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000948634292 1333604662 /nfs/dbraw/zinc/60/46/62/1333604662.db2.gz VBSLRVXVTDCGGD-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000948637599 1333606493 /nfs/dbraw/zinc/60/64/93/1333606493.db2.gz HOANWPUIOJBVGK-ICSRJNTNSA-N 2 1 343.515 3.075 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000948637599 1333606500 /nfs/dbraw/zinc/60/65/00/1333606500.db2.gz HOANWPUIOJBVGK-ICSRJNTNSA-N 2 1 343.515 3.075 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](CC3CCC3)CC2)C1 ZINC000948711874 1333643210 /nfs/dbraw/zinc/64/32/10/1333643210.db2.gz VKLQBVZXILYEJW-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](CC3CCC3)CC2)C1 ZINC000948711874 1333643215 /nfs/dbraw/zinc/64/32/15/1333643215.db2.gz VKLQBVZXILYEJW-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CC3CCC3)CC2)C1 ZINC000948711874 1333643216 /nfs/dbraw/zinc/64/32/16/1333643216.db2.gz VKLQBVZXILYEJW-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC000948775518 1333674486 /nfs/dbraw/zinc/67/44/86/1333674486.db2.gz KIOFNDJSODASOV-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC000948775518 1333674496 /nfs/dbraw/zinc/67/44/96/1333674496.db2.gz KIOFNDJSODASOV-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000948775518 1333674498 /nfs/dbraw/zinc/67/44/98/1333674498.db2.gz KIOFNDJSODASOV-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC000949801113 1333926555 /nfs/dbraw/zinc/92/65/55/1333926555.db2.gz NGZQUGSAZSJASF-FQEVSTJZSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC)C2C[NH+](CCC(C)(C)C)C2)C1 ZINC000951213462 1334209622 /nfs/dbraw/zinc/20/96/22/1334209622.db2.gz WXPBCRJLHRPEKH-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC)C2C[NH+](CCC3CCCC3)C2)C1 ZINC000951214567 1334210117 /nfs/dbraw/zinc/21/01/17/1334210117.db2.gz MBAVHEVNNNSKSG-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000951628492 1334281215 /nfs/dbraw/zinc/28/12/15/1334281215.db2.gz SNOPHTPFOQNZNG-VQTJNVASSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327993 1335891190 /nfs/dbraw/zinc/89/11/90/1335891190.db2.gz VRGXALJNCYYMCT-XLIONFOSSA-N 2 1 345.531 3.031 20 0 EGADMP C[C@H]1CC[N@@H+](CC2=CCCCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968386799 1335914795 /nfs/dbraw/zinc/91/47/95/1335914795.db2.gz PPXDLUMEXPPJIB-FXAWDEMLSA-N 2 1 347.547 3.045 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(C)C)CC[C@@H]2C)o1 ZINC000968688697 1336012262 /nfs/dbraw/zinc/01/22/62/1336012262.db2.gz NHYHZFCKIABTIZ-FUHWJXTLSA-N 2 1 349.519 3.218 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968856145 1336069558 /nfs/dbraw/zinc/06/95/58/1336069558.db2.gz FKFQEFIZCMAWLY-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(NC[C@@H]1CCCCC[N@H+]1CC1CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968888582 1336080342 /nfs/dbraw/zinc/08/03/42/1336080342.db2.gz VZDIGJKVYOHOGL-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCCCC[NH+]1CC1CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000968888582 1336080343 /nfs/dbraw/zinc/08/03/43/1336080343.db2.gz VZDIGJKVYOHOGL-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCCCC[NH+]1CC1CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000968888582 1336080345 /nfs/dbraw/zinc/08/03/45/1336080345.db2.gz VZDIGJKVYOHOGL-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC000968915696 1336087232 /nfs/dbraw/zinc/08/72/32/1336087232.db2.gz NTYRLEWXXPPRBG-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000968915295 1336087364 /nfs/dbraw/zinc/08/73/64/1336087364.db2.gz HEPGKDPACFIXQD-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCC1 ZINC000968928553 1336093205 /nfs/dbraw/zinc/09/32/05/1336093205.db2.gz NVVDWFLEDGRKLH-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCC1 ZINC000968928553 1336093210 /nfs/dbraw/zinc/09/32/10/1336093210.db2.gz NVVDWFLEDGRKLH-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCC1 ZINC000968928553 1336093215 /nfs/dbraw/zinc/09/32/15/1336093215.db2.gz NVVDWFLEDGRKLH-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936452 1336095848 /nfs/dbraw/zinc/09/58/48/1336095848.db2.gz IGKQMYLEWTXZEV-FUHWJXTLSA-N 2 1 342.487 3.355 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCC(C)C)C1 ZINC000970718989 1336335518 /nfs/dbraw/zinc/33/55/18/1336335518.db2.gz NWCOPBDRMRXPLP-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005504942 1336363533 /nfs/dbraw/zinc/36/35/33/1336363533.db2.gz VSOQWVRFLNALPX-IBGZPJMESA-N 2 1 335.536 3.116 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC[NH+](CCC2CC2)CC1 ZINC001005504504 1336363544 /nfs/dbraw/zinc/36/35/44/1336363544.db2.gz SFECZVPFBPPYSX-HXUWFJFHSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001005593701 1336376923 /nfs/dbraw/zinc/37/69/23/1336376923.db2.gz SFMNLQNBFAFEDY-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001005990068 1336435125 /nfs/dbraw/zinc/43/51/25/1336435125.db2.gz DHWFZCOJTRHPLZ-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007457762 1336650938 /nfs/dbraw/zinc/65/09/38/1336650938.db2.gz RQRYIBBQNZPUHR-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001007457762 1336650939 /nfs/dbraw/zinc/65/09/39/1336650939.db2.gz RQRYIBBQNZPUHR-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CCC3CCCC3)C2)C1 ZINC001007498043 1336657573 /nfs/dbraw/zinc/65/75/73/1336657573.db2.gz YSEKXXBBWGLRQK-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](CCC3CCCC3)C2)C1 ZINC001007498043 1336657576 /nfs/dbraw/zinc/65/75/76/1336657576.db2.gz YSEKXXBBWGLRQK-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCC3CCCC3)C2)C1 ZINC001007498043 1336657579 /nfs/dbraw/zinc/65/75/79/1336657579.db2.gz YSEKXXBBWGLRQK-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3CCCCC3)C2)C1 ZINC001007495480 1336657585 /nfs/dbraw/zinc/65/75/85/1336657585.db2.gz JURMWEVMCOHUIP-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)C1 ZINC001007495480 1336657587 /nfs/dbraw/zinc/65/75/87/1336657587.db2.gz JURMWEVMCOHUIP-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)C1 ZINC001007495480 1336657589 /nfs/dbraw/zinc/65/75/89/1336657589.db2.gz JURMWEVMCOHUIP-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001008161852 1336782314 /nfs/dbraw/zinc/78/23/14/1336782314.db2.gz IHGWQVGVZFHSKX-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CCC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001008278265 1336812778 /nfs/dbraw/zinc/81/27/78/1336812778.db2.gz WUQGCAWSGDKCCQ-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CC2CCC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001008278265 1336812779 /nfs/dbraw/zinc/81/27/79/1336812779.db2.gz WUQGCAWSGDKCCQ-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CC2CCC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001008278265 1336812782 /nfs/dbraw/zinc/81/27/82/1336812782.db2.gz WUQGCAWSGDKCCQ-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001008312938 1336821144 /nfs/dbraw/zinc/82/11/44/1336821144.db2.gz LERQQXGISGIATB-IHPCNDPISA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001008312938 1336821149 /nfs/dbraw/zinc/82/11/49/1336821149.db2.gz LERQQXGISGIATB-IHPCNDPISA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001008312938 1336821153 /nfs/dbraw/zinc/82/11/53/1336821153.db2.gz LERQQXGISGIATB-IHPCNDPISA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001008746903 1336919371 /nfs/dbraw/zinc/91/93/71/1336919371.db2.gz KOQDBYXTPLWKFI-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001008978145 1336951167 /nfs/dbraw/zinc/95/11/67/1336951167.db2.gz DNEYEUZJTBCLFE-QUCCMNQESA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2csc(C)c2)C1 ZINC001009631370 1337049907 /nfs/dbraw/zinc/04/99/07/1337049907.db2.gz BNVBFXPEECAOKU-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2csc(C)c2)C1 ZINC001009631370 1337049908 /nfs/dbraw/zinc/04/99/08/1337049908.db2.gz BNVBFXPEECAOKU-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2csc(C)c2)C1 ZINC001009631370 1337049909 /nfs/dbraw/zinc/04/99/09/1337049909.db2.gz BNVBFXPEECAOKU-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2csc(C)c2)C1 ZINC001009631370 1337049910 /nfs/dbraw/zinc/04/99/10/1337049910.db2.gz BNVBFXPEECAOKU-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001009634001 1337050199 /nfs/dbraw/zinc/05/01/99/1337050199.db2.gz IAUFVXVOMRIVHR-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001009634001 1337050202 /nfs/dbraw/zinc/05/02/02/1337050202.db2.gz IAUFVXVOMRIVHR-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001009634001 1337050205 /nfs/dbraw/zinc/05/02/05/1337050205.db2.gz IAUFVXVOMRIVHR-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001014414528 1337770537 /nfs/dbraw/zinc/77/05/37/1337770537.db2.gz OXCSUVOYBKBBIS-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001014414528 1337770541 /nfs/dbraw/zinc/77/05/41/1337770541.db2.gz OXCSUVOYBKBBIS-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001014414528 1337770544 /nfs/dbraw/zinc/77/05/44/1337770544.db2.gz OXCSUVOYBKBBIS-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015110540 1338022615 /nfs/dbraw/zinc/02/26/15/1338022615.db2.gz UXHFEBBLJFVQPF-ICSRJNTNSA-N 2 1 348.450 3.290 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001015291999 1338087236 /nfs/dbraw/zinc/08/72/36/1338087236.db2.gz XSAVBPDFGXYROT-SFHVURJKSA-N 2 1 338.455 3.029 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001015386417 1338119812 /nfs/dbraw/zinc/11/98/12/1338119812.db2.gz HJZKFYNJQWKQDB-UXHICEINSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001015623665 1338211892 /nfs/dbraw/zinc/21/18/92/1338211892.db2.gz ZTWRJCNOVQPSHV-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001015623665 1338211893 /nfs/dbraw/zinc/21/18/93/1338211893.db2.gz ZTWRJCNOVQPSHV-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001015791145 1338311149 /nfs/dbraw/zinc/31/11/49/1338311149.db2.gz BDUKRUYGWDGZIR-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001015791145 1338311153 /nfs/dbraw/zinc/31/11/53/1338311153.db2.gz BDUKRUYGWDGZIR-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001015791145 1338311158 /nfs/dbraw/zinc/31/11/58/1338311158.db2.gz BDUKRUYGWDGZIR-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001015791682 1338312654 /nfs/dbraw/zinc/31/26/54/1338312654.db2.gz KHZMTDXAGNGLPG-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001015791682 1338312657 /nfs/dbraw/zinc/31/26/57/1338312657.db2.gz KHZMTDXAGNGLPG-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001015791682 1338312659 /nfs/dbraw/zinc/31/26/59/1338312659.db2.gz KHZMTDXAGNGLPG-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC001015930770 1338363348 /nfs/dbraw/zinc/36/33/48/1338363348.db2.gz VFJROQTUDJUPMO-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001015971590 1338385157 /nfs/dbraw/zinc/38/51/57/1338385157.db2.gz BRLVOONWGRQQAH-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001015971590 1338385158 /nfs/dbraw/zinc/38/51/58/1338385158.db2.gz BRLVOONWGRQQAH-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001015971590 1338385162 /nfs/dbraw/zinc/38/51/62/1338385162.db2.gz BRLVOONWGRQQAH-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CC23CC[NH+](CCC(C)C)CC3)C1 ZINC001016788808 1338728131 /nfs/dbraw/zinc/72/81/31/1338728131.db2.gz DOLJBSWZMMENAR-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001017153360 1338903821 /nfs/dbraw/zinc/90/38/21/1338903821.db2.gz DRLIJPLPXQXPJH-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001017153360 1338903824 /nfs/dbraw/zinc/90/38/24/1338903824.db2.gz DRLIJPLPXQXPJH-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001017153360 1338903826 /nfs/dbraw/zinc/90/38/26/1338903826.db2.gz DRLIJPLPXQXPJH-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN(C(=O)Cn2ccnc2)C1)CC1CCCCCC1 ZINC001017263336 1338989546 /nfs/dbraw/zinc/98/95/46/1338989546.db2.gz KQIUUADUCOIZAE-IBGZPJMESA-N 2 1 346.519 3.024 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1)CC1CCCCCC1 ZINC001017266263 1338991944 /nfs/dbraw/zinc/99/19/44/1338991944.db2.gz LWIKSYLULBOHKP-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)CC1CCCCCC1 ZINC001017266263 1338991946 /nfs/dbraw/zinc/99/19/46/1338991946.db2.gz LWIKSYLULBOHKP-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)CC1CCCCCC1 ZINC001017266263 1338991950 /nfs/dbraw/zinc/99/19/50/1338991950.db2.gz LWIKSYLULBOHKP-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCC2CCCC2)C1 ZINC001028087828 1340418197 /nfs/dbraw/zinc/41/81/97/1340418197.db2.gz AIJFZTXWYBSEAX-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCC2CCCC2)C1 ZINC001028087828 1340418200 /nfs/dbraw/zinc/41/82/00/1340418200.db2.gz AIJFZTXWYBSEAX-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCC2CCCC2)C1 ZINC001028087828 1340418202 /nfs/dbraw/zinc/41/82/02/1340418202.db2.gz AIJFZTXWYBSEAX-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC2CC(C)(C)C2)C1 ZINC001028089376 1340418669 /nfs/dbraw/zinc/41/86/69/1340418669.db2.gz ZXHFUPUTJFNJAP-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC2CC(C)(C)C2)C1 ZINC001028089376 1340418672 /nfs/dbraw/zinc/41/86/72/1340418672.db2.gz ZXHFUPUTJFNJAP-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC2CC(C)(C)C2)C1 ZINC001028089376 1340418674 /nfs/dbraw/zinc/41/86/74/1340418674.db2.gz ZXHFUPUTJFNJAP-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCC1 ZINC001028181045 1340471112 /nfs/dbraw/zinc/47/11/12/1340471112.db2.gz MKRPAVRDFILRII-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001028181045 1340471114 /nfs/dbraw/zinc/47/11/14/1340471114.db2.gz MKRPAVRDFILRII-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1 ZINC001028181045 1340471116 /nfs/dbraw/zinc/47/11/16/1340471116.db2.gz MKRPAVRDFILRII-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028254426 1340515576 /nfs/dbraw/zinc/51/55/76/1340515576.db2.gz UUBYPDMWKQCDCS-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2CCC(C)(C)C)c1 ZINC001028333378 1340571295 /nfs/dbraw/zinc/57/12/95/1340571295.db2.gz LKDSSSWDROIABZ-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001028333781 1340571500 /nfs/dbraw/zinc/57/15/00/1340571500.db2.gz QZZCTGZWXKFZPX-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001028335277 1340572960 /nfs/dbraw/zinc/57/29/60/1340572960.db2.gz REARZDSLCOFSKL-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001028335277 1340572963 /nfs/dbraw/zinc/57/29/63/1340572963.db2.gz REARZDSLCOFSKL-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCC1 ZINC001028335277 1340572966 /nfs/dbraw/zinc/57/29/66/1340572966.db2.gz REARZDSLCOFSKL-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001028537701 1340693061 /nfs/dbraw/zinc/69/30/61/1340693061.db2.gz QJXKEZCPSRAUSM-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001028537701 1340693066 /nfs/dbraw/zinc/69/30/66/1340693066.db2.gz QJXKEZCPSRAUSM-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001028537701 1340693070 /nfs/dbraw/zinc/69/30/70/1340693070.db2.gz QJXKEZCPSRAUSM-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001028636278 1340737513 /nfs/dbraw/zinc/73/75/13/1340737513.db2.gz NQYVLJMNJXSFPZ-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001028636278 1340737515 /nfs/dbraw/zinc/73/75/15/1340737515.db2.gz NQYVLJMNJXSFPZ-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001028636278 1340737516 /nfs/dbraw/zinc/73/75/16/1340737516.db2.gz NQYVLJMNJXSFPZ-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001028754516 1340790703 /nfs/dbraw/zinc/79/07/03/1340790703.db2.gz GFBCMMQUQIZZCR-WOJBJXKFSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CC[N@H+](CCCC3CCC3)C2)C1 ZINC001028754516 1340790707 /nfs/dbraw/zinc/79/07/07/1340790707.db2.gz GFBCMMQUQIZZCR-WOJBJXKFSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001028754516 1340790710 /nfs/dbraw/zinc/79/07/10/1340790710.db2.gz GFBCMMQUQIZZCR-WOJBJXKFSA-N 2 1 349.563 3.127 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CC2)CC1 ZINC001029163881 1340946163 /nfs/dbraw/zinc/94/61/63/1340946163.db2.gz COGDAAYAUAKDNQ-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001029164420 1340946242 /nfs/dbraw/zinc/94/62/42/1340946242.db2.gz JRJOJHUUOIEDTA-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001029345512 1340974895 /nfs/dbraw/zinc/97/48/95/1340974895.db2.gz YJYGARXDNMMNDL-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001029345512 1340974897 /nfs/dbraw/zinc/97/48/97/1340974897.db2.gz YJYGARXDNMMNDL-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001029345512 1340974899 /nfs/dbraw/zinc/97/48/99/1340974899.db2.gz YJYGARXDNMMNDL-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC(C)(C)CC1)[NH+](C)C ZINC001029356926 1340976551 /nfs/dbraw/zinc/97/65/51/1340976551.db2.gz XIJYOSSSCGODML-CEXWTWQISA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001029550739 1341010741 /nfs/dbraw/zinc/01/07/41/1341010741.db2.gz WOZPNJOWGSCIFC-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001029550739 1341010742 /nfs/dbraw/zinc/01/07/42/1341010742.db2.gz WOZPNJOWGSCIFC-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001029550739 1341010743 /nfs/dbraw/zinc/01/07/43/1341010743.db2.gz WOZPNJOWGSCIFC-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@@H+](C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1)CC1CCC(C)(C)CC1 ZINC001029674135 1341039742 /nfs/dbraw/zinc/03/97/42/1341039742.db2.gz CQMIKLYSSYGGAK-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)CC1CCC(C)(C)CC1 ZINC001029674135 1341039743 /nfs/dbraw/zinc/03/97/43/1341039743.db2.gz CQMIKLYSSYGGAK-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)CC1CCC(C)(C)CC1 ZINC001029674135 1341039744 /nfs/dbraw/zinc/03/97/44/1341039744.db2.gz CQMIKLYSSYGGAK-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029739479 1341059243 /nfs/dbraw/zinc/05/92/43/1341059243.db2.gz JKTQIWPNBYTYSS-IEBWSBKVSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001029739479 1341059244 /nfs/dbraw/zinc/05/92/44/1341059244.db2.gz JKTQIWPNBYTYSS-IEBWSBKVSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001029739479 1341059245 /nfs/dbraw/zinc/05/92/45/1341059245.db2.gz JKTQIWPNBYTYSS-IEBWSBKVSA-N 2 1 349.563 3.076 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001029759070 1341064716 /nfs/dbraw/zinc/06/47/16/1341064716.db2.gz KPLWBSQEBZNFEU-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001029759070 1341064717 /nfs/dbraw/zinc/06/47/17/1341064717.db2.gz KPLWBSQEBZNFEU-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001029759070 1341064718 /nfs/dbraw/zinc/06/47/18/1341064718.db2.gz KPLWBSQEBZNFEU-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1)[NH+]1CCCCC1 ZINC001029910430 1341113573 /nfs/dbraw/zinc/11/35/73/1341113573.db2.gz LBKMBLWVXKIBHO-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CCCCC1)CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001029971236 1341139031 /nfs/dbraw/zinc/13/90/31/1341139031.db2.gz SLXKEHMTGWNROW-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001029971236 1341139032 /nfs/dbraw/zinc/13/90/32/1341139032.db2.gz SLXKEHMTGWNROW-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C[NH+](C)CC3CCCCC3)CC2)C1 ZINC001029995676 1341151285 /nfs/dbraw/zinc/15/12/85/1341151285.db2.gz UVKUQTXIARRBKR-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC(C[N@H+](C)CC3CCCCC3)CC2)C1 ZINC001029995676 1341151286 /nfs/dbraw/zinc/15/12/86/1341151286.db2.gz UVKUQTXIARRBKR-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC(C[N@@H+](C)CC3CCCCC3)CC2)C1 ZINC001029995676 1341151287 /nfs/dbraw/zinc/15/12/87/1341151287.db2.gz UVKUQTXIARRBKR-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001030442011 1341187680 /nfs/dbraw/zinc/18/76/80/1341187680.db2.gz KEUFHLWERJGNNH-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001030737364 1341217130 /nfs/dbraw/zinc/21/71/30/1341217130.db2.gz UXQUYRIQIXTTFM-HXUWFJFHSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC1C[NH+](CC2CCCCC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001030833632 1341232694 /nfs/dbraw/zinc/23/26/94/1341232694.db2.gz ZMWREZTZCYXUEC-HXUWFJFHSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCCC2CCCC2)C1 ZINC001031050360 1341270112 /nfs/dbraw/zinc/27/01/12/1341270112.db2.gz JTTAQDBMFIHCAH-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCCC2CCCC2)C1 ZINC001031050360 1341270114 /nfs/dbraw/zinc/27/01/14/1341270114.db2.gz JTTAQDBMFIHCAH-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC2CCCCC2)C1 ZINC001031236575 1341301668 /nfs/dbraw/zinc/30/16/68/1341301668.db2.gz DSZKAFFVPKRNJA-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001031439669 1341342535 /nfs/dbraw/zinc/34/25/35/1341342535.db2.gz IWQDFAGYTICKMQ-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001031439669 1341342537 /nfs/dbraw/zinc/34/25/37/1341342537.db2.gz IWQDFAGYTICKMQ-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(NCC1C[NH+](CC2CCCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001032042549 1341444060 /nfs/dbraw/zinc/44/40/60/1341444060.db2.gz DJZJVVRGDSFYIJ-UXHICEINSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCCC1 ZINC001032445722 1341511776 /nfs/dbraw/zinc/51/17/76/1341511776.db2.gz OKZXMPODPSMIBA-UFYCRDLUSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCC1 ZINC001032445722 1341511777 /nfs/dbraw/zinc/51/17/77/1341511777.db2.gz OKZXMPODPSMIBA-UFYCRDLUSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCC1 ZINC001032445722 1341511778 /nfs/dbraw/zinc/51/17/78/1341511778.db2.gz OKZXMPODPSMIBA-UFYCRDLUSA-N 2 1 347.547 3.115 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCCC1 ZINC001032626449 1341564785 /nfs/dbraw/zinc/56/47/85/1341564785.db2.gz GEXYPIWCGSNKDN-HOJAQTOUSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCCC1 ZINC001032626449 1341564787 /nfs/dbraw/zinc/56/47/87/1341564787.db2.gz GEXYPIWCGSNKDN-HOJAQTOUSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCCCC1 ZINC001032626449 1341564789 /nfs/dbraw/zinc/56/47/89/1341564789.db2.gz GEXYPIWCGSNKDN-HOJAQTOUSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001033392992 1341810430 /nfs/dbraw/zinc/81/04/30/1341810430.db2.gz CUFCJQWZSLFNTP-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001033466632 1341837057 /nfs/dbraw/zinc/83/70/57/1341837057.db2.gz HATJBHZZXMAUEB-AEFFLSMTSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001033467858 1341837702 /nfs/dbraw/zinc/83/77/02/1341837702.db2.gz RQZLDHKBONCYCP-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](CCC3=CCCCC3)C2)CC1 ZINC001033530456 1341860230 /nfs/dbraw/zinc/86/02/30/1341860230.db2.gz BCSOJCFRHNHLTO-FQEVSTJZSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CCC3CC3)C2)o1 ZINC001033696949 1341964138 /nfs/dbraw/zinc/96/41/38/1341964138.db2.gz ADVQAGZOEHWFGN-QGZVFWFLSA-N 2 1 347.503 3.068 20 0 EGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033834334 1342034134 /nfs/dbraw/zinc/03/41/34/1342034134.db2.gz OOMNBAQTKKCLFR-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033834334 1342034137 /nfs/dbraw/zinc/03/41/37/1342034137.db2.gz OOMNBAQTKKCLFR-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033834334 1342034139 /nfs/dbraw/zinc/03/41/39/1342034139.db2.gz OOMNBAQTKKCLFR-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](F)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033989629 1342133599 /nfs/dbraw/zinc/13/35/99/1342133599.db2.gz MSDXQODNVWYKFL-RBUKOAKNSA-N 2 1 349.494 3.033 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045542 1342186214 /nfs/dbraw/zinc/18/62/14/1342186214.db2.gz KVCMTFMZPIVZFN-PXNSSMCTSA-N 2 1 345.531 3.331 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCCC[N@@H+](CCC2CC2)C1)[NH+]1CCCCC1 ZINC001034211499 1342320793 /nfs/dbraw/zinc/32/07/93/1342320793.db2.gz NKZVBXOGGZOSLK-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211053 1342321027 /nfs/dbraw/zinc/32/10/27/1342321027.db2.gz LEURAWQOVFDIHX-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034211053 1342321029 /nfs/dbraw/zinc/32/10/29/1342321029.db2.gz LEURAWQOVFDIHX-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034211053 1342321034 /nfs/dbraw/zinc/32/10/34/1342321034.db2.gz LEURAWQOVFDIHX-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3CC(C)(C)C3)C2)CC[N@H+]1C ZINC001034216713 1342323404 /nfs/dbraw/zinc/32/34/04/1342323404.db2.gz KBNLZTICVKTKIZ-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](CC3CC(C)(C)C3)C2)CC[NH+]1C ZINC001034216713 1342323408 /nfs/dbraw/zinc/32/34/08/1342323408.db2.gz KBNLZTICVKTKIZ-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CC(C)(C)C3)C2)CC[NH+]1C ZINC001034216713 1342323409 /nfs/dbraw/zinc/32/34/09/1342323409.db2.gz KBNLZTICVKTKIZ-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCC3CCCC3)C2)CC[N@H+]1C ZINC001034216976 1342323557 /nfs/dbraw/zinc/32/35/57/1342323557.db2.gz MQPYFSBVSAVJBP-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCC3CCCC3)C2)CC[NH+]1C ZINC001034216976 1342323561 /nfs/dbraw/zinc/32/35/61/1342323561.db2.gz MQPYFSBVSAVJBP-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCC3CCCC3)C2)CC[NH+]1C ZINC001034216976 1342323566 /nfs/dbraw/zinc/32/35/66/1342323566.db2.gz MQPYFSBVSAVJBP-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034248566 1342347057 /nfs/dbraw/zinc/34/70/57/1342347057.db2.gz DLZQCVRBTLKBCU-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034248566 1342347058 /nfs/dbraw/zinc/34/70/58/1342347058.db2.gz DLZQCVRBTLKBCU-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034248566 1342347059 /nfs/dbraw/zinc/34/70/59/1342347059.db2.gz DLZQCVRBTLKBCU-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034258544 1342351875 /nfs/dbraw/zinc/35/18/75/1342351875.db2.gz YXZQLQQHJCMGJI-SFHVURJKSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034273033 1342363681 /nfs/dbraw/zinc/36/36/81/1342363681.db2.gz YYQIATLFBCPYGZ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034273033 1342363683 /nfs/dbraw/zinc/36/36/83/1342363683.db2.gz YYQIATLFBCPYGZ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034273033 1342363685 /nfs/dbraw/zinc/36/36/85/1342363685.db2.gz YYQIATLFBCPYGZ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034273033 1342363688 /nfs/dbraw/zinc/36/36/88/1342363688.db2.gz YYQIATLFBCPYGZ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034364593 1342435221 /nfs/dbraw/zinc/43/52/21/1342435221.db2.gz LJZHGHDDDPWQNG-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034364593 1342435223 /nfs/dbraw/zinc/43/52/23/1342435223.db2.gz LJZHGHDDDPWQNG-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](CCC3CCCC3)C2)C1 ZINC001034400915 1342466618 /nfs/dbraw/zinc/46/66/18/1342466618.db2.gz YQUAHGHQRXCZMJ-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CCC3CCCC3)C2)C1 ZINC001034400915 1342466621 /nfs/dbraw/zinc/46/66/21/1342466621.db2.gz YQUAHGHQRXCZMJ-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CCC3CCCC3)C2)C1 ZINC001034400915 1342466623 /nfs/dbraw/zinc/46/66/23/1342466623.db2.gz YQUAHGHQRXCZMJ-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](CC2CC(C)C2)C1 ZINC001034425180 1342487286 /nfs/dbraw/zinc/48/72/86/1342487286.db2.gz DOTQPAIMDULJEI-DAWZGUTISA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](CC2CC(C)C2)C1 ZINC001034425180 1342487288 /nfs/dbraw/zinc/48/72/88/1342487288.db2.gz DOTQPAIMDULJEI-DAWZGUTISA-N 2 1 346.519 3.023 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCCC[N@@H+](CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001034437033 1342499297 /nfs/dbraw/zinc/49/92/97/1342499297.db2.gz CUNKFBDUOXWBMS-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034436769 1342499566 /nfs/dbraw/zinc/49/95/66/1342499566.db2.gz CGNVVJVLSVVVNH-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CC2)C1 ZINC001034436769 1342499568 /nfs/dbraw/zinc/49/95/68/1342499568.db2.gz CGNVVJVLSVVVNH-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CC2)C1 ZINC001034436769 1342499569 /nfs/dbraw/zinc/49/95/69/1342499569.db2.gz CGNVVJVLSVVVNH-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](CCC3CC3)C2)cc1 ZINC001034444939 1342505187 /nfs/dbraw/zinc/50/51/87/1342505187.db2.gz NPVMHMVMQKGBMT-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034474548 1342529700 /nfs/dbraw/zinc/52/97/00/1342529700.db2.gz LQXYNXYMDUWBJI-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCC[NH+](CC3CCCCCC3)C2)C1 ZINC001034491857 1342548385 /nfs/dbraw/zinc/54/83/85/1342548385.db2.gz ZEHPKEIIXBVWFC-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCCC[N@H+](CC3CCCCCC3)C2)C1 ZINC001034491857 1342548387 /nfs/dbraw/zinc/54/83/87/1342548387.db2.gz ZEHPKEIIXBVWFC-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCCC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001034491857 1342548390 /nfs/dbraw/zinc/54/83/90/1342548390.db2.gz ZEHPKEIIXBVWFC-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001034525204 1342582710 /nfs/dbraw/zinc/58/27/10/1342582710.db2.gz KCMWCWQQVZAUKO-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001034525204 1342582712 /nfs/dbraw/zinc/58/27/12/1342582712.db2.gz KCMWCWQQVZAUKO-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001034525204 1342582714 /nfs/dbraw/zinc/58/27/14/1342582714.db2.gz KCMWCWQQVZAUKO-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@@H+](CCCC2CCCC2)C1 ZINC001034528476 1342585527 /nfs/dbraw/zinc/58/55/27/1342585527.db2.gz NKWCMRKIZGQKOT-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1ccccc1 ZINC001034648324 1342669565 /nfs/dbraw/zinc/66/95/65/1342669565.db2.gz DKFNOTWPSXEETM-YKXHTNLXSA-N 2 1 343.515 3.105 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3=CCCCC3)CC2)CC[N@H+]1C ZINC001034649794 1342669986 /nfs/dbraw/zinc/66/99/86/1342669986.db2.gz UQPMFIXPYMMYSO-LWYYNNOASA-N 2 1 347.547 3.234 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001034674305 1342685965 /nfs/dbraw/zinc/68/59/65/1342685965.db2.gz LQEJHJZGNGDEAA-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1)c1ccccc1 ZINC001034738881 1342729745 /nfs/dbraw/zinc/72/97/45/1342729745.db2.gz XGHNJQLKMIJKKE-HNBVOPMISA-N 2 1 343.515 3.249 20 0 EGADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1)c1ccccc1 ZINC001034775481 1342753305 /nfs/dbraw/zinc/75/33/05/1342753305.db2.gz ASDJVFNERKTPHO-HNBVOPMISA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034958114 1342852576 /nfs/dbraw/zinc/85/25/76/1342852576.db2.gz AHFSNRYHOLHBJB-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001034959061 1342853189 /nfs/dbraw/zinc/85/31/89/1342853189.db2.gz QBLAWKOHJCTMCZ-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@H](C(=O)N1CCC2(CC[N@@H+](CC3CCCCC3)C2)CC1)[NH+](C)C ZINC001035196605 1343009489 /nfs/dbraw/zinc/00/94/89/1343009489.db2.gz ABNGGNAASAGJQN-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CCC2(CC[N@@H+](CCCC3CCC3)C2)CC1)[NH+](C)C ZINC001035229694 1343050853 /nfs/dbraw/zinc/05/08/53/1343050853.db2.gz XOCHNOGQQSYEIA-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1CC)CC2 ZINC001035259960 1343086707 /nfs/dbraw/zinc/08/67/07/1343086707.db2.gz KGTNPSJSKIJDBF-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)CC2 ZINC001035259960 1343086709 /nfs/dbraw/zinc/08/67/09/1343086709.db2.gz KGTNPSJSKIJDBF-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)CC2 ZINC001035259960 1343086710 /nfs/dbraw/zinc/08/67/10/1343086710.db2.gz KGTNPSJSKIJDBF-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1CC)CC2 ZINC001035259962 1343087139 /nfs/dbraw/zinc/08/71/39/1343087139.db2.gz KGTNPSJSKIJDBF-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)CC2 ZINC001035259962 1343087146 /nfs/dbraw/zinc/08/71/46/1343087146.db2.gz KGTNPSJSKIJDBF-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1CC)CC2 ZINC001035259962 1343087148 /nfs/dbraw/zinc/08/71/48/1343087148.db2.gz KGTNPSJSKIJDBF-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001036448260 1343493490 /nfs/dbraw/zinc/49/34/90/1343493490.db2.gz BCBXOCCOCUNWIV-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001036556726 1343552549 /nfs/dbraw/zinc/55/25/49/1343552549.db2.gz QQDQVAYEZPLZPI-VQIMIIECSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036793416 1343725365 /nfs/dbraw/zinc/72/53/65/1343725365.db2.gz DZZBNZLLUUWEDD-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036854591 1343788663 /nfs/dbraw/zinc/78/86/63/1343788663.db2.gz NXMVLGFEDSQCLR-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001038241021 1344339711 /nfs/dbraw/zinc/33/97/11/1344339711.db2.gz SBBOHPLZDQXJBA-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001038241021 1344339712 /nfs/dbraw/zinc/33/97/12/1344339712.db2.gz SBBOHPLZDQXJBA-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001038241021 1344339714 /nfs/dbraw/zinc/33/97/14/1344339714.db2.gz SBBOHPLZDQXJBA-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CCC1CCCCC1)c1ccc2c[nH+]cn2c1 ZINC001038520994 1344464031 /nfs/dbraw/zinc/46/40/31/1344464031.db2.gz UCPYTXGGGCMKLI-LJQANCHMSA-N 2 1 340.471 3.109 20 0 EGADMP CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039133897 1344812466 /nfs/dbraw/zinc/81/24/66/1344812466.db2.gz LXOFIJVBIXKRTI-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039133897 1344812476 /nfs/dbraw/zinc/81/24/76/1344812476.db2.gz LXOFIJVBIXKRTI-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039133897 1344812481 /nfs/dbraw/zinc/81/24/81/1344812481.db2.gz LXOFIJVBIXKRTI-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137480 1344817506 /nfs/dbraw/zinc/81/75/06/1344817506.db2.gz HFZBQNHMFKSYCQ-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039137480 1344817509 /nfs/dbraw/zinc/81/75/09/1344817509.db2.gz HFZBQNHMFKSYCQ-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039137480 1344817511 /nfs/dbraw/zinc/81/75/11/1344817511.db2.gz HFZBQNHMFKSYCQ-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039159241 1344843817 /nfs/dbraw/zinc/84/38/17/1344843817.db2.gz IDCGEXXHUVYPOU-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039159241 1344843822 /nfs/dbraw/zinc/84/38/22/1344843822.db2.gz IDCGEXXHUVYPOU-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039159241 1344843829 /nfs/dbraw/zinc/84/38/29/1344843829.db2.gz IDCGEXXHUVYPOU-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039241852 1344967983 /nfs/dbraw/zinc/96/79/83/1344967983.db2.gz JMFNEQFOMBMLSR-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001039474972 1345089546 /nfs/dbraw/zinc/08/95/46/1345089546.db2.gz UVXCQJPTCZNGNW-AABGKKOBSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001039474972 1345089547 /nfs/dbraw/zinc/08/95/47/1345089547.db2.gz UVXCQJPTCZNGNW-AABGKKOBSA-N 2 1 343.515 3.011 20 0 EGADMP C[NH+]1CCC(CC(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCC(C)(C)C)CC1 ZINC001039939385 1345252838 /nfs/dbraw/zinc/25/28/38/1345252838.db2.gz JCSPJCWIDHSOLE-KDURUIRLSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040240047 1345389909 /nfs/dbraw/zinc/38/99/09/1345389909.db2.gz CFCZCCVTNSXJSX-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040240047 1345389911 /nfs/dbraw/zinc/38/99/11/1345389911.db2.gz CFCZCCVTNSXJSX-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040240047 1345389914 /nfs/dbraw/zinc/38/99/14/1345389914.db2.gz CFCZCCVTNSXJSX-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040242178 1345393004 /nfs/dbraw/zinc/39/30/04/1345393004.db2.gz WZDQBKNGQCKJDC-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040242178 1345393007 /nfs/dbraw/zinc/39/30/07/1345393007.db2.gz WZDQBKNGQCKJDC-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040242178 1345393012 /nfs/dbraw/zinc/39/30/12/1345393012.db2.gz WZDQBKNGQCKJDC-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040463234 1345510078 /nfs/dbraw/zinc/51/00/78/1345510078.db2.gz FSMJLRKFQKMYLE-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040492868 1345519130 /nfs/dbraw/zinc/51/91/30/1345519130.db2.gz GEOBDFJUJMMXRI-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040492868 1345519133 /nfs/dbraw/zinc/51/91/33/1345519133.db2.gz GEOBDFJUJMMXRI-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040492868 1345519138 /nfs/dbraw/zinc/51/91/38/1345519138.db2.gz GEOBDFJUJMMXRI-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040544818 1345539491 /nfs/dbraw/zinc/53/94/91/1345539491.db2.gz KFHKZEKMZBOHBI-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040547991 1345542262 /nfs/dbraw/zinc/54/22/62/1345542262.db2.gz ODTYIRROGQBYBV-CTNGQTDRSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040547991 1345542263 /nfs/dbraw/zinc/54/22/63/1345542263.db2.gz ODTYIRROGQBYBV-CTNGQTDRSA-N 2 1 343.515 3.014 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001040708017 1345568248 /nfs/dbraw/zinc/56/82/48/1345568248.db2.gz NVCXMFSBLTYNBF-GBESFXJTSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001040721965 1345570455 /nfs/dbraw/zinc/57/04/55/1345570455.db2.gz HDBPLFRTKLXNPH-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CCC)CC2 ZINC001040912100 1345598608 /nfs/dbraw/zinc/59/86/08/1345598608.db2.gz KLULWPZMIIJTOH-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041357746 1345709880 /nfs/dbraw/zinc/70/98/80/1345709880.db2.gz INMMGTGBGKEMJU-PZJWPPBQSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357746 1345709883 /nfs/dbraw/zinc/70/98/83/1345709883.db2.gz INMMGTGBGKEMJU-PZJWPPBQSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357746 1345709887 /nfs/dbraw/zinc/70/98/87/1345709887.db2.gz INMMGTGBGKEMJU-PZJWPPBQSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCCCC3)C2)C1)[NH+](C)C ZINC001041403269 1345719026 /nfs/dbraw/zinc/71/90/26/1345719026.db2.gz OFADFPMZSSJNNY-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@]3(CC[NH+](CCC(C)C)C3)C2)C1 ZINC001041587758 1345783594 /nfs/dbraw/zinc/78/35/94/1345783594.db2.gz RULQTQPMEGYFEA-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@]3(CC[N@H+](CCC(C)C)C3)C2)C1 ZINC001041587758 1345783597 /nfs/dbraw/zinc/78/35/97/1345783597.db2.gz RULQTQPMEGYFEA-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](CCC(C)C)C3)C2)C1 ZINC001041587758 1345783602 /nfs/dbraw/zinc/78/36/02/1345783602.db2.gz RULQTQPMEGYFEA-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845462 1345871607 /nfs/dbraw/zinc/87/16/07/1345871607.db2.gz DKTVUIILULUPGO-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041845462 1345871608 /nfs/dbraw/zinc/87/16/08/1345871608.db2.gz DKTVUIILULUPGO-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001041845462 1345871609 /nfs/dbraw/zinc/87/16/09/1345871609.db2.gz DKTVUIILULUPGO-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+](C(C)C)C3)C2)o1 ZINC001041852463 1345873794 /nfs/dbraw/zinc/87/37/94/1345873794.db2.gz UHDSRNYGSAWXOW-HXUWFJFHSA-N 2 1 347.503 3.068 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042233078 1345998405 /nfs/dbraw/zinc/99/84/05/1345998405.db2.gz CJGAJMUYJFNQCD-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042233078 1345998408 /nfs/dbraw/zinc/99/84/08/1345998408.db2.gz CJGAJMUYJFNQCD-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042233078 1345998411 /nfs/dbraw/zinc/99/84/11/1345998411.db2.gz CJGAJMUYJFNQCD-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001042849827 1346121016 /nfs/dbraw/zinc/12/10/16/1346121016.db2.gz XWXJHWAEGKLLGF-PMACEKPBSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001042849827 1346121018 /nfs/dbraw/zinc/12/10/18/1346121018.db2.gz XWXJHWAEGKLLGF-PMACEKPBSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001043871094 1346217822 /nfs/dbraw/zinc/21/78/22/1346217822.db2.gz OHERLNLAUOAAKQ-IBGZPJMESA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001043871094 1346217825 /nfs/dbraw/zinc/21/78/25/1346217825.db2.gz OHERLNLAUOAAKQ-IBGZPJMESA-N 2 1 343.515 3.012 20 0 EGADMP CN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1C[NH+](CCC2CCCCC2)C1 ZINC001044034105 1346237426 /nfs/dbraw/zinc/23/74/26/1346237426.db2.gz DOVFZLBUOSZEQM-AZUAARDMSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1C[NH+](CCC2CCCCC2)C1 ZINC001044034105 1346237430 /nfs/dbraw/zinc/23/74/30/1346237430.db2.gz DOVFZLBUOSZEQM-AZUAARDMSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001044743013 1346418665 /nfs/dbraw/zinc/41/86/65/1346418665.db2.gz JTGRWQFHOCTFDE-FUHWJXTLSA-N 2 1 349.563 3.124 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045075682 1346490295 /nfs/dbraw/zinc/49/02/95/1346490295.db2.gz FBPQRFUARYHXFY-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C[N@H+]1CCC(C)(C)C1)c1ccccc1 ZINC001045202864 1346529272 /nfs/dbraw/zinc/52/92/72/1346529272.db2.gz ZWROUGKHLGWTBM-MJGOQNOKSA-N 2 1 343.515 3.060 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1(C)CC[NH+](CCC2=CCCCC2)CC1 ZINC001045528927 1346618099 /nfs/dbraw/zinc/61/80/99/1346618099.db2.gz IRWQBOBHZIDWAF-IBGZPJMESA-N 2 1 347.547 3.332 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1(C)CC[NH+](CCC2=CCCCC2)CC1 ZINC001045557779 1346628738 /nfs/dbraw/zinc/62/87/38/1346628738.db2.gz VKRWKAYBTKSWNC-HKUYNNGSSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1(C)CC[NH+](CCC2=CCCCC2)CC1 ZINC001045557782 1346628784 /nfs/dbraw/zinc/62/87/84/1346628784.db2.gz VKRWKAYBTKSWNC-PKOBYXMFSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1(C)CC[NH+](CCCC2CCCC2)CC1 ZINC001045557505 1346628885 /nfs/dbraw/zinc/62/88/85/1346628885.db2.gz MXPUNYXSEPAZMR-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001045876418 1346728928 /nfs/dbraw/zinc/72/89/28/1346728928.db2.gz JYTDUXTULQXERK-QYZOEREBSA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC001045876418 1346728924 /nfs/dbraw/zinc/72/89/24/1346728924.db2.gz JYTDUXTULQXERK-QYZOEREBSA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001045876418 1346728926 /nfs/dbraw/zinc/72/89/26/1346728926.db2.gz JYTDUXTULQXERK-QYZOEREBSA-N 2 1 335.536 3.115 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949317 1346783958 /nfs/dbraw/zinc/78/39/58/1346783958.db2.gz DHELIBLZKSZPTD-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001045949317 1346783959 /nfs/dbraw/zinc/78/39/59/1346783959.db2.gz DHELIBLZKSZPTD-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001045949317 1346783961 /nfs/dbraw/zinc/78/39/61/1346783961.db2.gz DHELIBLZKSZPTD-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045980166 1346817154 /nfs/dbraw/zinc/81/71/54/1346817154.db2.gz SFACSXHYPZFDDX-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001045980166 1346817156 /nfs/dbraw/zinc/81/71/56/1346817156.db2.gz SFACSXHYPZFDDX-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045980166 1346817158 /nfs/dbraw/zinc/81/71/58/1346817158.db2.gz SFACSXHYPZFDDX-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001046198584 1346885975 /nfs/dbraw/zinc/88/59/75/1346885975.db2.gz VXXNXUPKTCNNBA-UYAOXDASSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CCC2CCCCCC2)C1 ZINC001046198584 1346885976 /nfs/dbraw/zinc/88/59/76/1346885976.db2.gz VXXNXUPKTCNNBA-UYAOXDASSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CCC2CCCCCC2)C1 ZINC001046198584 1346885979 /nfs/dbraw/zinc/88/59/79/1346885979.db2.gz VXXNXUPKTCNNBA-UYAOXDASSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCCC2CCCC2)C1 ZINC001046316021 1346931106 /nfs/dbraw/zinc/93/11/06/1346931106.db2.gz MHBXAOVNOBGYLP-FPOVZHCZSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCCC2CCCC2)C1 ZINC001046316021 1346931116 /nfs/dbraw/zinc/93/11/16/1346931116.db2.gz MHBXAOVNOBGYLP-FPOVZHCZSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCCC2CCCC2)C1 ZINC001046316021 1346931123 /nfs/dbraw/zinc/93/11/23/1346931123.db2.gz MHBXAOVNOBGYLP-FPOVZHCZSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046316935 1346932326 /nfs/dbraw/zinc/93/23/26/1346932326.db2.gz CPWKBENOTCENGL-FXAWDEMLSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046316935 1346932328 /nfs/dbraw/zinc/93/23/28/1346932328.db2.gz CPWKBENOTCENGL-FXAWDEMLSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046316935 1346932335 /nfs/dbraw/zinc/93/23/35/1346932335.db2.gz CPWKBENOTCENGL-FXAWDEMLSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319827 1346933854 /nfs/dbraw/zinc/93/38/54/1346933854.db2.gz XCMRJTAJGNEMDM-GHTZIAJQSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319827 1346933856 /nfs/dbraw/zinc/93/38/56/1346933856.db2.gz XCMRJTAJGNEMDM-GHTZIAJQSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319827 1346933858 /nfs/dbraw/zinc/93/38/58/1346933858.db2.gz XCMRJTAJGNEMDM-GHTZIAJQSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1ccccc1C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046483465 1346990454 /nfs/dbraw/zinc/99/04/54/1346990454.db2.gz AXAHVZKYFSEUDE-OAQYLSRUSA-N 2 1 348.450 3.037 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@]2(C)CC[NH+](CCCC3CCCC3)C2)CC[N@H+]1C ZINC001046570334 1347022112 /nfs/dbraw/zinc/02/21/12/1347022112.db2.gz ZDSHNADRTRXNRS-HFSMHLIXSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001046570334 1347022114 /nfs/dbraw/zinc/02/21/14/1347022114.db2.gz ZDSHNADRTRXNRS-HFSMHLIXSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001046570334 1347022118 /nfs/dbraw/zinc/02/21/18/1347022118.db2.gz ZDSHNADRTRXNRS-HFSMHLIXSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC1CCCC1)C2 ZINC001047201845 1347241303 /nfs/dbraw/zinc/24/13/03/1347241303.db2.gz VAQVNNDXJPULKX-UFYCRDLUSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047971200 1347429162 /nfs/dbraw/zinc/42/91/62/1347429162.db2.gz CIEUWWRGFDJDNG-HKUYNNGSSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCCCC3)C[C@H]2C)CC[N@H+]1C ZINC001079730892 1357360579 /nfs/dbraw/zinc/36/05/79/1357360579.db2.gz UUAXHKCLJCIUHO-GSEOLPGOSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CCCCC3)C[C@H]2C)CC[NH+]1C ZINC001079730892 1357360581 /nfs/dbraw/zinc/36/05/81/1357360581.db2.gz UUAXHKCLJCIUHO-GSEOLPGOSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@H]2C)CC[NH+]1C ZINC001079730892 1357360584 /nfs/dbraw/zinc/36/05/84/1357360584.db2.gz UUAXHKCLJCIUHO-GSEOLPGOSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001048572589 1347598998 /nfs/dbraw/zinc/59/89/98/1347598998.db2.gz NPLOEYYQDULICS-YRPNKDGESA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001048572589 1347599001 /nfs/dbraw/zinc/59/90/01/1347599001.db2.gz NPLOEYYQDULICS-YRPNKDGESA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CCCC1)[NH+](C)C ZINC001049532717 1347894918 /nfs/dbraw/zinc/89/49/18/1347894918.db2.gz JNMVWVYNHIRHDV-AQNXPRMDSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC(C)(C)C)[NH+](C)C ZINC001049533041 1347895259 /nfs/dbraw/zinc/89/52/59/1347895259.db2.gz LXKGBBOBAYZDQJ-KSZLIROESA-N 2 1 337.552 3.074 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572665 1347915769 /nfs/dbraw/zinc/91/57/69/1347915769.db2.gz MRTMSIGXOBEAEW-IPELMVKDSA-N 2 1 340.471 3.059 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049595027 1347928446 /nfs/dbraw/zinc/92/84/46/1347928446.db2.gz RHASPETWKPIBAM-IPELMVKDSA-N 2 1 340.471 3.059 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCC1CCC1 ZINC001049654511 1347957552 /nfs/dbraw/zinc/95/75/52/1347957552.db2.gz JGFQTXNZTMZMFH-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC1CCC1 ZINC001049654511 1347957555 /nfs/dbraw/zinc/95/75/55/1347957555.db2.gz JGFQTXNZTMZMFH-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC1CCC1 ZINC001049654511 1347957557 /nfs/dbraw/zinc/95/75/57/1347957557.db2.gz JGFQTXNZTMZMFH-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049751145 1348000273 /nfs/dbraw/zinc/00/02/73/1348000273.db2.gz BMDLYVLWAGWURH-QZTJIDSGSA-N 2 1 344.503 3.038 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049751145 1348000275 /nfs/dbraw/zinc/00/02/75/1348000275.db2.gz BMDLYVLWAGWURH-QZTJIDSGSA-N 2 1 344.503 3.038 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049760660 1348005477 /nfs/dbraw/zinc/00/54/77/1348005477.db2.gz APBDAYFUPLDSKD-SLFFLAALSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CC1 ZINC001049837444 1348050303 /nfs/dbraw/zinc/05/03/03/1348050303.db2.gz PQOQSARRVHKVPL-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC001049837444 1348050304 /nfs/dbraw/zinc/05/03/04/1348050304.db2.gz PQOQSARRVHKVPL-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC001049837444 1348050307 /nfs/dbraw/zinc/05/03/07/1348050307.db2.gz PQOQSARRVHKVPL-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049912860 1348108440 /nfs/dbraw/zinc/10/84/40/1348108440.db2.gz PHQIVNDSOHYXOS-WOJBJXKFSA-N 2 1 343.515 3.227 20 0 EGADMP CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049926665 1348117634 /nfs/dbraw/zinc/11/76/34/1348117634.db2.gz QKXSCIBMEZLZCE-MSOLQXFVSA-N 2 1 347.503 3.210 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCc2ccc([C@H](C)[NH2+]CC)cc2)C1 ZINC001050269948 1348223748 /nfs/dbraw/zinc/22/37/48/1348223748.db2.gz KLIQLBYYLLAWNC-QFBILLFUSA-N 2 1 331.504 3.095 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)C2)CC1 ZINC001050331159 1348229204 /nfs/dbraw/zinc/22/92/04/1348229204.db2.gz GERRUDGFNFNLSU-TZCBXBLLSA-N 2 1 349.563 3.172 20 0 EGADMP O=C(N[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001050332177 1348229540 /nfs/dbraw/zinc/22/95/40/1348229540.db2.gz GRJSBYDBZLCTNI-BJLQDIEVSA-N 2 1 347.547 3.068 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001050367155 1348240590 /nfs/dbraw/zinc/24/05/90/1348240590.db2.gz FGTBXQQBWOGFNV-ZHALLVOQSA-N 2 1 349.563 3.172 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001051348549 1348439670 /nfs/dbraw/zinc/43/96/70/1348439670.db2.gz MDSWIJMEKLTSIU-DFQSSKMNSA-N 2 1 343.515 3.121 20 0 EGADMP CC1CCC(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001051349815 1348439784 /nfs/dbraw/zinc/43/97/84/1348439784.db2.gz QDYPDOHUGPNREG-TUNPWDSISA-N 2 1 349.563 3.268 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)cs1 ZINC001052498960 1348559732 /nfs/dbraw/zinc/55/97/32/1348559732.db2.gz LOTPIUGWUTWTQQ-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)CC2)cs1 ZINC001052498960 1348559735 /nfs/dbraw/zinc/55/97/35/1348559735.db2.gz LOTPIUGWUTWTQQ-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)CC2)cs1 ZINC001052498960 1348559737 /nfs/dbraw/zinc/55/97/37/1348559737.db2.gz LOTPIUGWUTWTQQ-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515202 1348563989 /nfs/dbraw/zinc/56/39/89/1348563989.db2.gz BHGYRHRQPQIQKL-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515202 1348563990 /nfs/dbraw/zinc/56/39/90/1348563990.db2.gz BHGYRHRQPQIQKL-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052515202 1348563991 /nfs/dbraw/zinc/56/39/91/1348563991.db2.gz BHGYRHRQPQIQKL-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052527254 1348566581 /nfs/dbraw/zinc/56/65/81/1348566581.db2.gz VFAVRPHMAHRPAL-KRWDZBQOSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2CCCC2)CC1)c1ccc2c[nH+]cn2c1 ZINC001052562587 1348580445 /nfs/dbraw/zinc/58/04/45/1348580445.db2.gz VWLUWCVNFROOFT-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP C[C@H](F)CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052953658 1348768789 /nfs/dbraw/zinc/76/87/89/1348768789.db2.gz FDHQZNQKYCLBBY-QFBILLFUSA-N 2 1 349.494 3.081 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052958349 1348771825 /nfs/dbraw/zinc/77/18/25/1348771825.db2.gz MAAJJQFZFWHNRW-IBGZPJMESA-N 2 1 343.515 3.299 20 0 EGADMP CCCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053092111 1348918429 /nfs/dbraw/zinc/91/84/29/1348918429.db2.gz QEWHYIHILFRBOB-RBUKOAKNSA-N 2 1 346.519 3.085 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053092111 1348918431 /nfs/dbraw/zinc/91/84/31/1348918431.db2.gz QEWHYIHILFRBOB-RBUKOAKNSA-N 2 1 346.519 3.085 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053102867 1348936503 /nfs/dbraw/zinc/93/65/03/1348936503.db2.gz WPBGDTCQEWLBEL-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142495 1349152961 /nfs/dbraw/zinc/15/29/61/1349152961.db2.gz CZDZEJALNWVKAX-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054142495 1349152963 /nfs/dbraw/zinc/15/29/63/1349152963.db2.gz CZDZEJALNWVKAX-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054142495 1349152964 /nfs/dbraw/zinc/15/29/64/1349152964.db2.gz CZDZEJALNWVKAX-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197750 1349200265 /nfs/dbraw/zinc/20/02/65/1349200265.db2.gz HSBBIGPUKYFZKY-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001054197750 1349200266 /nfs/dbraw/zinc/20/02/66/1349200266.db2.gz HSBBIGPUKYFZKY-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001054197750 1349200270 /nfs/dbraw/zinc/20/02/70/1349200270.db2.gz HSBBIGPUKYFZKY-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCCC3CCC3)C2)C1)[NH+](C)C ZINC001054198891 1349200909 /nfs/dbraw/zinc/20/09/09/1349200909.db2.gz IVYVJWATMPWCKC-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001054209489 1349210670 /nfs/dbraw/zinc/21/06/70/1349210670.db2.gz REMXKGQSMJHSEW-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](C(C)C)C2)C1)[NH+]1CCCCC1 ZINC001054244819 1349238711 /nfs/dbraw/zinc/23/87/11/1349238711.db2.gz IWVSEWCQRIKGHI-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)cc2C1 ZINC001054268702 1349266479 /nfs/dbraw/zinc/26/64/79/1349266479.db2.gz UQAHDMXBLLSTNP-IBGZPJMESA-N 2 1 343.515 3.006 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)cc2C1 ZINC001054268702 1349266482 /nfs/dbraw/zinc/26/64/82/1349266482.db2.gz UQAHDMXBLLSTNP-IBGZPJMESA-N 2 1 343.515 3.006 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)cc2C1 ZINC001054268702 1349266484 /nfs/dbraw/zinc/26/64/84/1349266484.db2.gz UQAHDMXBLLSTNP-IBGZPJMESA-N 2 1 343.515 3.006 20 0 EGADMP Cc1c(C(=O)NCc2ccc3c(c2)C[N@@H+](C(C)C)C3)ccc2c[nH+]cn21 ZINC001054271449 1349271216 /nfs/dbraw/zinc/27/12/16/1349271216.db2.gz OUJMSIXLVNOYGD-UHFFFAOYSA-N 2 1 348.450 3.297 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCc2ccc3c(c2)C[NH+](C(C)C)C3)C1 ZINC001054277946 1349278278 /nfs/dbraw/zinc/27/82/78/1349278278.db2.gz FGNDDGSYYLDCJH-IBGZPJMESA-N 2 1 343.515 3.149 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCc2ccc3c(c2)C[N@H+](C(C)C)C3)C1 ZINC001054277946 1349278280 /nfs/dbraw/zinc/27/82/80/1349278280.db2.gz FGNDDGSYYLDCJH-IBGZPJMESA-N 2 1 343.515 3.149 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCc2ccc3c(c2)C[N@@H+](C(C)C)C3)C1 ZINC001054277946 1349278282 /nfs/dbraw/zinc/27/82/82/1349278282.db2.gz FGNDDGSYYLDCJH-IBGZPJMESA-N 2 1 343.515 3.149 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001054296826 1349302075 /nfs/dbraw/zinc/30/20/75/1349302075.db2.gz ULYODRITZQCGRP-ZTFGCOKTSA-N 2 1 349.906 3.076 20 0 EGADMP Cc1c(C(=O)N[C@@H]2C[N@H+](CCC(C)(C)C)C[C@H]2C)ccc2c[nH+]cn21 ZINC001080011552 1357458728 /nfs/dbraw/zinc/45/87/28/1357458728.db2.gz DPGJBWICLCWJOQ-RDTXWAMCSA-N 2 1 342.487 3.129 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001080554381 1357676587 /nfs/dbraw/zinc/67/65/87/1357676587.db2.gz NOJSOWNROBGBIW-ZIFCJYIRSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCCCC3)C[C@H]2C)CC1 ZINC001080700114 1357723196 /nfs/dbraw/zinc/72/31/96/1357723196.db2.gz MQYDFDDXHAXORB-YLJYHZDGSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001071689864 1354853142 /nfs/dbraw/zinc/85/31/42/1354853142.db2.gz QPEVAVFAYUGDQE-LPHOPBHVSA-N 2 1 344.503 3.051 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001071689864 1354853146 /nfs/dbraw/zinc/85/31/46/1354853146.db2.gz QPEVAVFAYUGDQE-LPHOPBHVSA-N 2 1 344.503 3.051 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CCC1CCCCC1 ZINC001071794792 1354940269 /nfs/dbraw/zinc/94/02/69/1354940269.db2.gz FQBOUUZNOUNEDF-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001071868456 1354994335 /nfs/dbraw/zinc/99/43/35/1354994335.db2.gz JYTPJWKGYPEFDD-IAGOWNOFSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC(C)(C)C)C1 ZINC001071868456 1354994337 /nfs/dbraw/zinc/99/43/37/1354994337.db2.gz JYTPJWKGYPEFDD-IAGOWNOFSA-N 2 1 348.535 3.412 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@@H+]1C/C=C/Cl ZINC001071898028 1355012470 /nfs/dbraw/zinc/01/24/70/1355012470.db2.gz TWCHETFHZPUQAZ-NBQYIDIHSA-N 2 1 349.906 3.083 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@H+]1C/C=C/Cl ZINC001071898028 1355012472 /nfs/dbraw/zinc/01/24/72/1355012472.db2.gz TWCHETFHZPUQAZ-NBQYIDIHSA-N 2 1 349.906 3.083 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC2(CN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001072793884 1355441323 /nfs/dbraw/zinc/44/13/23/1355441323.db2.gz ZNFGLPALWTYINQ-HNNXBMFYSA-N 2 1 349.544 3.004 20 0 EGADMP CC(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCC1CCCCC1)C2)[NH+](C)C ZINC001072955406 1355520765 /nfs/dbraw/zinc/52/07/65/1355520765.db2.gz IZQQRANBSKVAPX-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)CC)C2 ZINC001073116347 1355605672 /nfs/dbraw/zinc/60/56/72/1355605672.db2.gz LYLVQRDJPPMBPN-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@H](C)CC)C2 ZINC001073116347 1355605675 /nfs/dbraw/zinc/60/56/75/1355605675.db2.gz LYLVQRDJPPMBPN-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@H](C)CC)C2 ZINC001073116347 1355605677 /nfs/dbraw/zinc/60/56/77/1355605677.db2.gz LYLVQRDJPPMBPN-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2=CCCCC2)C1 ZINC001183228298 1387282624 /nfs/dbraw/zinc/28/26/24/1387282624.db2.gz FYICRANBKNZSFR-WIYYLYMNSA-N 2 1 349.563 3.293 20 0 EGADMP CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001074015696 1356036102 /nfs/dbraw/zinc/03/61/02/1356036102.db2.gz LBKPGMICPHGZQZ-AZUAARDMSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001074015696 1356036106 /nfs/dbraw/zinc/03/61/06/1356036106.db2.gz LBKPGMICPHGZQZ-AZUAARDMSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001074015696 1356036109 /nfs/dbraw/zinc/03/61/09/1356036109.db2.gz LBKPGMICPHGZQZ-AZUAARDMSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@@H+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001074060407 1356059646 /nfs/dbraw/zinc/05/96/46/1356059646.db2.gz OMOUGZWRSFXMIS-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001074092127 1356077839 /nfs/dbraw/zinc/07/78/39/1356077839.db2.gz WJERFVBGLPHLHJ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001074092127 1356077840 /nfs/dbraw/zinc/07/78/40/1356077840.db2.gz WJERFVBGLPHLHJ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001074092127 1356077846 /nfs/dbraw/zinc/07/78/46/1356077846.db2.gz WJERFVBGLPHLHJ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)[C@@H]1C ZINC001074648530 1356221104 /nfs/dbraw/zinc/22/11/04/1356221104.db2.gz CXNQWBQOWDVCJQ-WDSOQIARSA-N 2 1 335.536 3.019 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448311 1356380969 /nfs/dbraw/zinc/38/09/69/1356380969.db2.gz SXMSSSZVPJLRQY-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075448311 1356380970 /nfs/dbraw/zinc/38/09/70/1356380970.db2.gz SXMSSSZVPJLRQY-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075448311 1356380973 /nfs/dbraw/zinc/38/09/73/1356380973.db2.gz SXMSSSZVPJLRQY-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461521 1356394796 /nfs/dbraw/zinc/39/47/96/1356394796.db2.gz JZQJAWUUQXHZSD-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461521 1356394797 /nfs/dbraw/zinc/39/47/97/1356394797.db2.gz JZQJAWUUQXHZSD-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461521 1356394798 /nfs/dbraw/zinc/39/47/98/1356394798.db2.gz JZQJAWUUQXHZSD-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461541 1356394818 /nfs/dbraw/zinc/39/48/18/1356394818.db2.gz KQCANQJXTVCDGQ-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461541 1356394823 /nfs/dbraw/zinc/39/48/23/1356394823.db2.gz KQCANQJXTVCDGQ-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461541 1356394824 /nfs/dbraw/zinc/39/48/24/1356394824.db2.gz KQCANQJXTVCDGQ-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881211 1356438027 /nfs/dbraw/zinc/43/80/27/1356438027.db2.gz IMGFOBQPRPZZLW-XUVXKRRUSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001075881211 1356438028 /nfs/dbraw/zinc/43/80/28/1356438028.db2.gz IMGFOBQPRPZZLW-XUVXKRRUSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001075881211 1356438032 /nfs/dbraw/zinc/43/80/32/1356438032.db2.gz IMGFOBQPRPZZLW-XUVXKRRUSA-N 2 1 349.563 3.218 20 0 EGADMP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC001183275919 1387289619 /nfs/dbraw/zinc/28/96/19/1387289619.db2.gz QUXJCKYKKUKXFO-LJQANCHMSA-N 2 1 347.547 3.166 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001082943347 1358106673 /nfs/dbraw/zinc/10/66/73/1358106673.db2.gz FGPPEHAOECKXFM-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3CC[NH+](CCC(C)C)[C@H]3C2)C1 ZINC001085014347 1358368048 /nfs/dbraw/zinc/36/80/48/1358368048.db2.gz XILSIACESOPCOW-AABGKKOBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCC(C)C)[C@H]3C2)C1 ZINC001085014347 1358368051 /nfs/dbraw/zinc/36/80/51/1358368051.db2.gz XILSIACESOPCOW-AABGKKOBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCC(C)C)[C@H]3C2)C1 ZINC001085014347 1358368053 /nfs/dbraw/zinc/36/80/53/1358368053.db2.gz XILSIACESOPCOW-AABGKKOBSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072663 1358383507 /nfs/dbraw/zinc/38/35/07/1358383507.db2.gz NNFQNAZVHXKIPD-AABGKKOBSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@@H]21 ZINC001085072663 1358383509 /nfs/dbraw/zinc/38/35/09/1358383509.db2.gz NNFQNAZVHXKIPD-AABGKKOBSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@@H]21 ZINC001085072663 1358383510 /nfs/dbraw/zinc/38/35/10/1358383510.db2.gz NNFQNAZVHXKIPD-AABGKKOBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCC2)CC[N@H+]1C ZINC001085204689 1358433110 /nfs/dbraw/zinc/43/31/10/1358433110.db2.gz DXSFPLKRWWVRSR-MTQWCTHYSA-N 2 1 349.563 3.314 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC(C)CC1 ZINC001085275216 1358448633 /nfs/dbraw/zinc/44/86/33/1358448633.db2.gz VDHQLZCRODDCCP-JDGDGYACSA-N 2 1 346.519 3.035 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001085432933 1358498560 /nfs/dbraw/zinc/49/85/60/1358498560.db2.gz XLZCIZHUWXBOCD-GUDVDZBRSA-N 2 1 349.563 3.314 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCC2CCCCC2)CC[N@H+]1C ZINC001085603925 1358626542 /nfs/dbraw/zinc/62/65/42/1358626542.db2.gz RMISOGFTFWLMSJ-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC2CCCCC2)CC[NH+]1C ZINC001085603925 1358626546 /nfs/dbraw/zinc/62/65/46/1358626546.db2.gz RMISOGFTFWLMSJ-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCC2CCCCC2)CC[NH+]1C ZINC001085603925 1358626548 /nfs/dbraw/zinc/62/65/48/1358626548.db2.gz RMISOGFTFWLMSJ-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001085629430 1358647034 /nfs/dbraw/zinc/64/70/34/1358647034.db2.gz UDIKGFBXUOZCAG-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001085629430 1358647035 /nfs/dbraw/zinc/64/70/35/1358647035.db2.gz UDIKGFBXUOZCAG-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCCC1 ZINC001085629430 1358647037 /nfs/dbraw/zinc/64/70/37/1358647037.db2.gz UDIKGFBXUOZCAG-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085782625 1358758813 /nfs/dbraw/zinc/75/88/13/1358758813.db2.gz ZDQMUZSUGHULBO-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085782625 1358758816 /nfs/dbraw/zinc/75/88/16/1358758816.db2.gz ZDQMUZSUGHULBO-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782625 1358758819 /nfs/dbraw/zinc/75/88/19/1358758819.db2.gz ZDQMUZSUGHULBO-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782625 1358758823 /nfs/dbraw/zinc/75/88/23/1358758823.db2.gz ZDQMUZSUGHULBO-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086084801 1358992088 /nfs/dbraw/zinc/99/20/88/1358992088.db2.gz GSGXMBDJKHNYJN-IZBJGVDFSA-N 2 1 343.515 3.105 20 0 EGADMP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001086118450 1359001324 /nfs/dbraw/zinc/00/13/24/1359001324.db2.gz AGLVOUGKYLIKEH-YRPNKDGESA-N 2 1 347.547 3.068 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001086122437 1359002915 /nfs/dbraw/zinc/00/29/15/1359002915.db2.gz KXYAILXAQHAKQJ-OTWHNJEPSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086175074 1359015477 /nfs/dbraw/zinc/01/54/77/1359015477.db2.gz GCIIJRJBQPLHQX-SLFFLAALSA-N 2 1 349.563 3.173 20 0 EGADMP CC1CCC(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086456952 1359102644 /nfs/dbraw/zinc/10/26/44/1359102644.db2.gz CRNXIFQEROHULK-HYJXOMNGSA-N 2 1 349.563 3.027 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCCCCC3)C2)CC[N@H+]1C ZINC001086700080 1359187818 /nfs/dbraw/zinc/18/78/18/1359187818.db2.gz WHIWHYUOUHZCAY-GSEOLPGOSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001086926938 1359251995 /nfs/dbraw/zinc/25/19/95/1359251995.db2.gz ODKRQXFTLZDUHQ-GOSISDBHSA-N 2 1 347.547 3.140 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927989 1359252528 /nfs/dbraw/zinc/25/25/28/1359252528.db2.gz RXARRNTXNBOTKQ-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927401 1359252747 /nfs/dbraw/zinc/25/27/47/1359252747.db2.gz AMCIBMWDNAMRSH-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1CC ZINC001087591297 1359546841 /nfs/dbraw/zinc/54/68/41/1359546841.db2.gz ZDOFCHRBWHFUCI-JKSUJKDBSA-N 2 1 337.533 3.193 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1CC ZINC001087591297 1359546843 /nfs/dbraw/zinc/54/68/43/1359546843.db2.gz ZDOFCHRBWHFUCI-JKSUJKDBSA-N 2 1 337.533 3.193 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1CC=C(C)C ZINC001087602655 1359550508 /nfs/dbraw/zinc/55/05/08/1359550508.db2.gz YIYWFYHRTMUFDZ-XUVXKRRUSA-N 2 1 347.547 3.329 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1CC=C(C)C ZINC001087602655 1359550511 /nfs/dbraw/zinc/55/05/11/1359550511.db2.gz YIYWFYHRTMUFDZ-XUVXKRRUSA-N 2 1 347.547 3.329 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1CC=C(C)C ZINC001087602655 1359550514 /nfs/dbraw/zinc/55/05/14/1359550514.db2.gz YIYWFYHRTMUFDZ-XUVXKRRUSA-N 2 1 347.547 3.329 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001087626143 1359562440 /nfs/dbraw/zinc/56/24/40/1359562440.db2.gz LQCLAXJYEBARPZ-IPMKNSEASA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CC1CC2(CCC2)C1 ZINC001087626143 1359562441 /nfs/dbraw/zinc/56/24/41/1359562441.db2.gz LQCLAXJYEBARPZ-IPMKNSEASA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CC1CC2(CCC2)C1 ZINC001087626143 1359562444 /nfs/dbraw/zinc/56/24/44/1359562444.db2.gz LQCLAXJYEBARPZ-IPMKNSEASA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CC1CC2(CCC2)C1 ZINC001087626143 1359562446 /nfs/dbraw/zinc/56/24/46/1359562446.db2.gz LQCLAXJYEBARPZ-IPMKNSEASA-N 2 1 347.547 3.020 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1CC ZINC001087704768 1359600329 /nfs/dbraw/zinc/60/03/29/1359600329.db2.gz HODPXJKOPLYMKS-ZWKOTPCHSA-N 2 1 349.519 3.360 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1CC ZINC001087704768 1359600332 /nfs/dbraw/zinc/60/03/32/1359600332.db2.gz HODPXJKOPLYMKS-ZWKOTPCHSA-N 2 1 349.519 3.360 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CC1=CCCCC1 ZINC001087728002 1359613640 /nfs/dbraw/zinc/61/36/40/1359613640.db2.gz XIASQTNKHKVUBA-RBUKOAKNSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC1=CCCCC1 ZINC001087728002 1359613644 /nfs/dbraw/zinc/61/36/44/1359613644.db2.gz XIASQTNKHKVUBA-RBUKOAKNSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CC1=CCCCC1 ZINC001087728002 1359613655 /nfs/dbraw/zinc/61/36/55/1359613655.db2.gz XIASQTNKHKVUBA-RBUKOAKNSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[N@H+]1CC1CC(C)C1 ZINC001087781661 1359640817 /nfs/dbraw/zinc/64/08/17/1359640817.db2.gz WYVHDUWBQBNBNJ-ZYKFHVCXSA-N 2 1 349.563 3.122 20 0 EGADMP C[N@@H+](CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCCC2)C1)C1CCC1 ZINC001088327018 1359831505 /nfs/dbraw/zinc/83/15/05/1359831505.db2.gz DCUKQZWKXOWTHF-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCCC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001088382020 1359864695 /nfs/dbraw/zinc/86/46/95/1359864695.db2.gz RYEZDECRYFIZPC-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001088382026 1359864767 /nfs/dbraw/zinc/86/47/67/1359864767.db2.gz SFEPSBOUOYZLMY-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569446 1359976488 /nfs/dbraw/zinc/97/64/88/1359976488.db2.gz UJOAFOZXQZJFMX-GGPKGHCWSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569446 1359976491 /nfs/dbraw/zinc/97/64/91/1359976491.db2.gz UJOAFOZXQZJFMX-GGPKGHCWSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569446 1359976493 /nfs/dbraw/zinc/97/64/93/1359976493.db2.gz UJOAFOZXQZJFMX-GGPKGHCWSA-N 2 1 347.547 3.186 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1CCC(C)(C)C ZINC001088622219 1359993307 /nfs/dbraw/zinc/99/33/07/1359993307.db2.gz LYOWRLVMEWPFDP-NZSAHSFTSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1CCC(C)(C)C ZINC001088622219 1359993309 /nfs/dbraw/zinc/99/33/09/1359993309.db2.gz LYOWRLVMEWPFDP-NZSAHSFTSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1CCC(C)(C)C ZINC001088622219 1359993314 /nfs/dbraw/zinc/99/33/14/1359993314.db2.gz LYOWRLVMEWPFDP-NZSAHSFTSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001088898877 1360098697 /nfs/dbraw/zinc/09/86/97/1360098697.db2.gz ZQQIZBXAZCWFGS-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)[C@@H]1C ZINC001088898877 1360098699 /nfs/dbraw/zinc/09/86/99/1360098699.db2.gz ZQQIZBXAZCWFGS-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)[C@@H]1C ZINC001088898877 1360098702 /nfs/dbraw/zinc/09/87/02/1360098702.db2.gz ZQQIZBXAZCWFGS-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1CCC(C)(C)C ZINC001088922628 1360103835 /nfs/dbraw/zinc/10/38/35/1360103835.db2.gz VGTYCNABKKZGGX-APWZRJJASA-N 2 1 345.531 3.377 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)[C@@H]1C ZINC001088971017 1360120187 /nfs/dbraw/zinc/12/01/87/1360120187.db2.gz XYTVUUVXIVGWHU-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CC2)[C@@H]1C ZINC001088971017 1360120190 /nfs/dbraw/zinc/12/01/90/1360120190.db2.gz XYTVUUVXIVGWHU-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@@H]1C ZINC001088971017 1360120193 /nfs/dbraw/zinc/12/01/93/1360120193.db2.gz XYTVUUVXIVGWHU-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001089060712 1360152907 /nfs/dbraw/zinc/15/29/07/1360152907.db2.gz CPGJOLNXKWOATH-NZSAHSFTSA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001089060712 1360152910 /nfs/dbraw/zinc/15/29/10/1360152910.db2.gz CPGJOLNXKWOATH-NZSAHSFTSA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001089060712 1360152913 /nfs/dbraw/zinc/15/29/13/1360152913.db2.gz CPGJOLNXKWOATH-NZSAHSFTSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001089070659 1360159324 /nfs/dbraw/zinc/15/93/24/1360159324.db2.gz QLWLQNCGUTXWSW-NUJGCVRESA-N 2 1 349.519 3.360 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC2=CCCCC2)CC[N@H+]1C ZINC001089179979 1360230110 /nfs/dbraw/zinc/23/01/10/1360230110.db2.gz IYWJNCMJIJEKGH-YZGWKJHDSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[N@H+](C)CC2=CCCCC2)CC[NH+]1C ZINC001089179979 1360230114 /nfs/dbraw/zinc/23/01/14/1360230114.db2.gz IYWJNCMJIJEKGH-YZGWKJHDSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[N@@H+](C)CC2=CCCCC2)CC[NH+]1C ZINC001089179979 1360230116 /nfs/dbraw/zinc/23/01/16/1360230116.db2.gz IYWJNCMJIJEKGH-YZGWKJHDSA-N 2 1 347.547 3.140 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001089226542 1360267862 /nfs/dbraw/zinc/26/78/62/1360267862.db2.gz IRAPKMSDFGYJRR-ACBHZAAOSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[NH+](C)C[C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001089226542 1360267866 /nfs/dbraw/zinc/26/78/66/1360267866.db2.gz IRAPKMSDFGYJRR-ACBHZAAOSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[NH+](C)C[C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001089226542 1360267870 /nfs/dbraw/zinc/26/78/70/1360267870.db2.gz IRAPKMSDFGYJRR-ACBHZAAOSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001089227638 1360269200 /nfs/dbraw/zinc/26/92/00/1360269200.db2.gz YXCSAASETDDSFT-FQEVSTJZSA-N 2 1 345.531 3.126 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccc(C)cc1)[NH+](C)C ZINC001089228665 1360269788 /nfs/dbraw/zinc/26/97/88/1360269788.db2.gz JGMQSEDQJFOKFY-PMACEKPBSA-N 2 1 345.531 3.148 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089381789 1360384356 /nfs/dbraw/zinc/38/43/56/1360384356.db2.gz NYPKTCYFLQCOFQ-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC2)CC(C)(C)C1 ZINC001089381789 1360384358 /nfs/dbraw/zinc/38/43/58/1360384358.db2.gz NYPKTCYFLQCOFQ-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1 ZINC001089381789 1360384360 /nfs/dbraw/zinc/38/43/60/1360384360.db2.gz NYPKTCYFLQCOFQ-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC(C)C)CC(C)(C)C1 ZINC001089399965 1360399626 /nfs/dbraw/zinc/39/96/26/1360399626.db2.gz AEGFWLYMOJFYDV-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(C)C)CC(C)(C)C1 ZINC001089399965 1360399630 /nfs/dbraw/zinc/39/96/30/1360399630.db2.gz AEGFWLYMOJFYDV-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(C)C)CC(C)(C)C1 ZINC001089399965 1360399632 /nfs/dbraw/zinc/39/96/32/1360399632.db2.gz AEGFWLYMOJFYDV-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089488142 1360467749 /nfs/dbraw/zinc/46/77/49/1360467749.db2.gz REJIBEGJKKCZMJ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089488142 1360467751 /nfs/dbraw/zinc/46/77/51/1360467751.db2.gz REJIBEGJKKCZMJ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089488142 1360467753 /nfs/dbraw/zinc/46/77/53/1360467753.db2.gz REJIBEGJKKCZMJ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](C(C)C)CC(C)(C)C1 ZINC001089504861 1360477758 /nfs/dbraw/zinc/47/77/58/1360477758.db2.gz DHWOLRMJMMAYNU-MRXNPFEDSA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](C(C)C)CC(C)(C)C1 ZINC001089504861 1360477759 /nfs/dbraw/zinc/47/77/59/1360477759.db2.gz DHWOLRMJMMAYNU-MRXNPFEDSA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001089639449 1360553202 /nfs/dbraw/zinc/55/32/02/1360553202.db2.gz WELYAVHLNKBLSP-RTBURBONSA-N 2 1 349.563 3.432 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089639449 1360553205 /nfs/dbraw/zinc/55/32/05/1360553205.db2.gz WELYAVHLNKBLSP-RTBURBONSA-N 2 1 349.563 3.432 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089639449 1360553208 /nfs/dbraw/zinc/55/32/08/1360553208.db2.gz WELYAVHLNKBLSP-RTBURBONSA-N 2 1 349.563 3.432 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089642078 1360555547 /nfs/dbraw/zinc/55/55/47/1360555547.db2.gz ASJZYLGTAOHKTD-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001089642078 1360555550 /nfs/dbraw/zinc/55/55/50/1360555550.db2.gz ASJZYLGTAOHKTD-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001089642078 1360555554 /nfs/dbraw/zinc/55/55/54/1360555554.db2.gz ASJZYLGTAOHKTD-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001089649089 1360561610 /nfs/dbraw/zinc/56/16/10/1360561610.db2.gz AJWZSILVHGQVRT-OALUTQOASA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001089649089 1360561613 /nfs/dbraw/zinc/56/16/13/1360561613.db2.gz AJWZSILVHGQVRT-OALUTQOASA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001089649089 1360561617 /nfs/dbraw/zinc/56/16/17/1360561617.db2.gz AJWZSILVHGQVRT-OALUTQOASA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CC2)C1 ZINC001089683774 1360589365 /nfs/dbraw/zinc/58/93/65/1360589365.db2.gz FXAQGRIFZIXHNJ-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC2CC2)C1 ZINC001089683774 1360589370 /nfs/dbraw/zinc/58/93/70/1360589370.db2.gz FXAQGRIFZIXHNJ-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC2CC2)C1 ZINC001089683774 1360589372 /nfs/dbraw/zinc/58/93/72/1360589372.db2.gz FXAQGRIFZIXHNJ-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001089685508 1360591129 /nfs/dbraw/zinc/59/11/29/1360591129.db2.gz DFLPBKBFJXVDOR-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001089685508 1360591132 /nfs/dbraw/zinc/59/11/32/1360591132.db2.gz DFLPBKBFJXVDOR-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001089685508 1360591134 /nfs/dbraw/zinc/59/11/34/1360591134.db2.gz DFLPBKBFJXVDOR-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CCC2CCCC2)C1 ZINC001089732194 1360636493 /nfs/dbraw/zinc/63/64/93/1360636493.db2.gz OTWBIBMEFYSFOS-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CCC2CCCC2)C1 ZINC001089732194 1360636496 /nfs/dbraw/zinc/63/64/96/1360636496.db2.gz OTWBIBMEFYSFOS-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CCC2CCCC2)C1 ZINC001089732194 1360636498 /nfs/dbraw/zinc/63/64/98/1360636498.db2.gz OTWBIBMEFYSFOS-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC(C)C ZINC001089734859 1360639100 /nfs/dbraw/zinc/63/91/00/1360639100.db2.gz ZFRWZZZBKKOAGT-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(C)C ZINC001089734859 1360639102 /nfs/dbraw/zinc/63/91/02/1360639102.db2.gz ZFRWZZZBKKOAGT-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(C)C ZINC001089734859 1360639104 /nfs/dbraw/zinc/63/91/04/1360639104.db2.gz ZFRWZZZBKKOAGT-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CC3CCCCC3)C2)C1 ZINC001091064776 1360988375 /nfs/dbraw/zinc/98/83/75/1360988375.db2.gz PULQLBPZHBRGRR-GPJFCIFZSA-N 2 1 349.563 3.029 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2CC([NH2+]CC3CCCCC3)C2)C1 ZINC001091198412 1361004823 /nfs/dbraw/zinc/00/48/23/1361004823.db2.gz GDEKEFBEQMKAEW-IOJLRTSASA-N 2 1 349.563 3.173 20 0 EGADMP O=C(NCC1CC([NH2+]CCC2CC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001091199592 1361004981 /nfs/dbraw/zinc/00/49/81/1361004981.db2.gz QYCSBMCYVCFCOC-AFMYVXGZSA-N 2 1 347.547 3.068 20 0 EGADMP CCCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093373047 1361582321 /nfs/dbraw/zinc/58/23/21/1361582321.db2.gz INIZEARUMKINLN-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001095525624 1362162237 /nfs/dbraw/zinc/16/22/37/1362162237.db2.gz ZMWHPMPMUNHOQW-ZRNYENFQSA-N 2 1 349.563 3.122 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001095525624 1362162240 /nfs/dbraw/zinc/16/22/40/1362162240.db2.gz ZMWHPMPMUNHOQW-ZRNYENFQSA-N 2 1 349.563 3.122 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001095525624 1362162242 /nfs/dbraw/zinc/16/22/42/1362162242.db2.gz ZMWHPMPMUNHOQW-ZRNYENFQSA-N 2 1 349.563 3.122 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095912297 1362284954 /nfs/dbraw/zinc/28/49/54/1362284954.db2.gz QTPRIEUISHZEDQ-FUMNGEBKSA-N 2 1 347.547 3.305 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001095912297 1362284957 /nfs/dbraw/zinc/28/49/57/1362284957.db2.gz QTPRIEUISHZEDQ-FUMNGEBKSA-N 2 1 347.547 3.305 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001095912297 1362284960 /nfs/dbraw/zinc/28/49/60/1362284960.db2.gz QTPRIEUISHZEDQ-FUMNGEBKSA-N 2 1 347.547 3.305 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095912298 1362285424 /nfs/dbraw/zinc/28/54/24/1362285424.db2.gz QTPRIEUISHZEDQ-FYQPLNBISA-N 2 1 347.547 3.305 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001095912298 1362285428 /nfs/dbraw/zinc/28/54/28/1362285428.db2.gz QTPRIEUISHZEDQ-FYQPLNBISA-N 2 1 347.547 3.305 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001095912298 1362285431 /nfs/dbraw/zinc/28/54/31/1362285431.db2.gz QTPRIEUISHZEDQ-FYQPLNBISA-N 2 1 347.547 3.305 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1=CCCCC1 ZINC001096014070 1362334679 /nfs/dbraw/zinc/33/46/79/1362334679.db2.gz YKMZWAVUZRAOLA-LMCOJAPRSA-N 2 1 345.531 3.083 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1=CCCCC1 ZINC001096014070 1362334684 /nfs/dbraw/zinc/33/46/84/1362334684.db2.gz YKMZWAVUZRAOLA-LMCOJAPRSA-N 2 1 345.531 3.083 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@H](CC)c1ccccc1 ZINC001324263460 1387573975 /nfs/dbraw/zinc/57/39/75/1387573975.db2.gz LWXGDBZUNLYDAK-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1C ZINC001324262496 1387574043 /nfs/dbraw/zinc/57/40/43/1387574043.db2.gz GEERSVOLJUBYSN-OALUTQOASA-N 2 1 345.531 3.369 20 0 EGADMP COCn1ncc(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001324269685 1387575921 /nfs/dbraw/zinc/57/59/21/1387575921.db2.gz FJRKTMGDGMXPPE-CRAIPNDOSA-N 2 1 348.516 3.030 20 0 EGADMP COCn1ncc(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001324269685 1387575925 /nfs/dbraw/zinc/57/59/25/1387575925.db2.gz FJRKTMGDGMXPPE-CRAIPNDOSA-N 2 1 348.516 3.030 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001096608702 1362595825 /nfs/dbraw/zinc/59/58/25/1362595825.db2.gz AJFLDDPABSIFKE-OWSLCNJRSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001096608702 1362595828 /nfs/dbraw/zinc/59/58/28/1362595828.db2.gz AJFLDDPABSIFKE-OWSLCNJRSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001096608702 1362595831 /nfs/dbraw/zinc/59/58/31/1362595831.db2.gz AJFLDDPABSIFKE-OWSLCNJRSA-N 2 1 335.536 3.019 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001096611111 1362596103 /nfs/dbraw/zinc/59/61/03/1362596103.db2.gz IYMYKLQRSIYIIF-XWSJACJDSA-N 2 1 347.547 3.019 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1 ZINC001096611111 1362596106 /nfs/dbraw/zinc/59/61/06/1362596106.db2.gz IYMYKLQRSIYIIF-XWSJACJDSA-N 2 1 347.547 3.019 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1 ZINC001096611111 1362596111 /nfs/dbraw/zinc/59/61/11/1362596111.db2.gz IYMYKLQRSIYIIF-XWSJACJDSA-N 2 1 347.547 3.019 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001096611826 1362596722 /nfs/dbraw/zinc/59/67/22/1362596722.db2.gz VHBFEFPLGCOHSD-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001096611826 1362596725 /nfs/dbraw/zinc/59/67/25/1362596725.db2.gz VHBFEFPLGCOHSD-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001096611826 1362596730 /nfs/dbraw/zinc/59/67/30/1362596730.db2.gz VHBFEFPLGCOHSD-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC(C)(C)C)C1 ZINC001097210081 1362886855 /nfs/dbraw/zinc/88/68/55/1362886855.db2.gz OBXIIMBDTBEAJD-MANSERQUSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC(C)(C)C)C1 ZINC001097210081 1362886862 /nfs/dbraw/zinc/88/68/62/1362886862.db2.gz OBXIIMBDTBEAJD-MANSERQUSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(C)(C)C)C1 ZINC001097210081 1362886868 /nfs/dbraw/zinc/88/68/68/1362886868.db2.gz OBXIIMBDTBEAJD-MANSERQUSA-N 2 1 349.563 3.122 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001097343737 1362943950 /nfs/dbraw/zinc/94/39/50/1362943950.db2.gz YIYOUZHVVPNZEM-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001097343737 1362943953 /nfs/dbraw/zinc/94/39/53/1362943953.db2.gz YIYOUZHVVPNZEM-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001097343737 1362943956 /nfs/dbraw/zinc/94/39/56/1362943956.db2.gz YIYOUZHVVPNZEM-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001097343737 1362943960 /nfs/dbraw/zinc/94/39/60/1362943960.db2.gz YIYOUZHVVPNZEM-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC(C)(C)C)C1 ZINC001097695340 1363102912 /nfs/dbraw/zinc/10/29/12/1363102912.db2.gz XNEOPRLJWPQQJR-MKXGPGLRSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC(C)(C)C)C1 ZINC001097695340 1363102914 /nfs/dbraw/zinc/10/29/14/1363102914.db2.gz XNEOPRLJWPQQJR-MKXGPGLRSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(C)(C)C)C1 ZINC001097695340 1363102916 /nfs/dbraw/zinc/10/29/16/1363102916.db2.gz XNEOPRLJWPQQJR-MKXGPGLRSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)[NH+]1CCCCCC1 ZINC001097972408 1363184792 /nfs/dbraw/zinc/18/47/92/1363184792.db2.gz XCEVGJGIXNGMDY-AFYVEPGGSA-N 2 1 347.547 3.163 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001185120286 1387622815 /nfs/dbraw/zinc/62/28/15/1387622815.db2.gz QCEHFAVILPQWDW-QQGAAHRYSA-N 2 1 347.547 3.330 20 0 EGADMP CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1)C1CCCC1 ZINC001098826693 1363484086 /nfs/dbraw/zinc/48/40/86/1363484086.db2.gz NLODKOXSNLAYPD-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001099106460 1363625208 /nfs/dbraw/zinc/62/52/08/1363625208.db2.gz GKROLWRWZVMJQR-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099116745 1363633361 /nfs/dbraw/zinc/63/33/61/1363633361.db2.gz VFMRNLLMFVDRSM-ROUUACIJSA-N 2 1 339.568 3.226 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC(C)C ZINC001099131226 1363644019 /nfs/dbraw/zinc/64/40/19/1363644019.db2.gz YKMXTVSSAYPDNN-KRWDZBQOSA-N 2 1 339.568 3.370 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC(C)C ZINC001099131226 1363644027 /nfs/dbraw/zinc/64/40/27/1363644027.db2.gz YKMXTVSSAYPDNN-KRWDZBQOSA-N 2 1 339.568 3.370 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC(C)C ZINC001099131226 1363644029 /nfs/dbraw/zinc/64/40/29/1363644029.db2.gz YKMXTVSSAYPDNN-KRWDZBQOSA-N 2 1 339.568 3.370 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C ZINC001099200242 1363689577 /nfs/dbraw/zinc/68/95/77/1363689577.db2.gz XOSUHFDQKIBVNF-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1=CCCCC1 ZINC001099213780 1363695080 /nfs/dbraw/zinc/69/50/80/1363695080.db2.gz GSMSRZZPSAOEJD-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001099235150 1363706491 /nfs/dbraw/zinc/70/64/91/1363706491.db2.gz PPLWIJWMCMDWGK-ZWKOTPCHSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001099276417 1363727701 /nfs/dbraw/zinc/72/77/01/1363727701.db2.gz SIOKYSLIXKDLLY-IBGZPJMESA-N 2 1 349.563 3.291 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099309213 1363742248 /nfs/dbraw/zinc/74/22/48/1363742248.db2.gz BFFALZOWOWFBDU-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001099309213 1363742252 /nfs/dbraw/zinc/74/22/52/1363742252.db2.gz BFFALZOWOWFBDU-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001099309213 1363742254 /nfs/dbraw/zinc/74/22/54/1363742254.db2.gz BFFALZOWOWFBDU-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354575 1363769332 /nfs/dbraw/zinc/76/93/32/1363769332.db2.gz UYWHBMNQDALOCG-SFHVURJKSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001099354575 1363769337 /nfs/dbraw/zinc/76/93/37/1363769337.db2.gz UYWHBMNQDALOCG-SFHVURJKSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001099354575 1363769341 /nfs/dbraw/zinc/76/93/41/1363769341.db2.gz UYWHBMNQDALOCG-SFHVURJKSA-N 2 1 339.568 3.370 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548609 1363842043 /nfs/dbraw/zinc/84/20/43/1363842043.db2.gz YGJKHHYDICINHG-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CCC ZINC001099548609 1363842046 /nfs/dbraw/zinc/84/20/46/1363842046.db2.gz YGJKHHYDICINHG-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CCC ZINC001099548609 1363842047 /nfs/dbraw/zinc/84/20/47/1363842047.db2.gz YGJKHHYDICINHG-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185224777 1387656131 /nfs/dbraw/zinc/65/61/31/1387656131.db2.gz HPRLWSSDLHCMSI-QZTJIDSGSA-N 2 1 348.535 3.127 20 0 EGADMP CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001100405652 1364103365 /nfs/dbraw/zinc/10/33/65/1364103365.db2.gz HDQAAPDMICMGIZ-ZCNNSLRDSA-N 2 1 347.547 3.234 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC001100904777 1364324573 /nfs/dbraw/zinc/32/45/73/1364324573.db2.gz GEFQLNOLWIDREM-XUJQIHCRSA-N 2 1 349.494 3.103 20 0 EGADMP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001185306817 1387677104 /nfs/dbraw/zinc/67/71/04/1387677104.db2.gz NKVZAZYDEUHAEK-HKUYNNGSSA-N 2 1 346.519 3.012 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101313109 1364505931 /nfs/dbraw/zinc/50/59/31/1364505931.db2.gz XAZGEIZVIVZVDQ-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101313109 1364505933 /nfs/dbraw/zinc/50/59/33/1364505933.db2.gz XAZGEIZVIVZVDQ-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101313109 1364505935 /nfs/dbraw/zinc/50/59/35/1364505935.db2.gz XAZGEIZVIVZVDQ-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368706 1364530512 /nfs/dbraw/zinc/53/05/12/1364530512.db2.gz ISUCIPKSRHKINS-LDRMICATSA-N 2 1 349.563 3.101 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368706 1364530515 /nfs/dbraw/zinc/53/05/15/1364530515.db2.gz ISUCIPKSRHKINS-LDRMICATSA-N 2 1 349.563 3.101 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368706 1364530519 /nfs/dbraw/zinc/53/05/19/1364530519.db2.gz ISUCIPKSRHKINS-LDRMICATSA-N 2 1 349.563 3.101 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CCCC2)CC1 ZINC001101522379 1364596794 /nfs/dbraw/zinc/59/67/94/1364596794.db2.gz XVOYDJVOTJBOPA-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001101541799 1364607656 /nfs/dbraw/zinc/60/76/56/1364607656.db2.gz WBPRYKVWYZWNED-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001101550631 1364613443 /nfs/dbraw/zinc/61/34/43/1364613443.db2.gz SJTDXWUYPPTYCZ-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C ZINC001101985083 1364800143 /nfs/dbraw/zinc/80/01/43/1364800143.db2.gz ZDGJXMDVZYLDSR-KZNAEPCWSA-N 2 1 348.535 3.127 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001101985083 1364800144 /nfs/dbraw/zinc/80/01/44/1364800144.db2.gz ZDGJXMDVZYLDSR-KZNAEPCWSA-N 2 1 348.535 3.127 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102061724 1364829421 /nfs/dbraw/zinc/82/94/21/1364829421.db2.gz BLHNORCGGUYHGH-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001102061724 1364829423 /nfs/dbraw/zinc/82/94/23/1364829423.db2.gz BLHNORCGGUYHGH-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001102061724 1364829427 /nfs/dbraw/zinc/82/94/27/1364829427.db2.gz BLHNORCGGUYHGH-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102213675 1364937181 /nfs/dbraw/zinc/93/71/81/1364937181.db2.gz OZMUSVNAPQYUNF-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375490 1365029495 /nfs/dbraw/zinc/02/94/95/1365029495.db2.gz MSHWSCAIKCOQFU-JNVNVXKGSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375490 1365029500 /nfs/dbraw/zinc/02/95/00/1365029500.db2.gz MSHWSCAIKCOQFU-JNVNVXKGSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375490 1365029504 /nfs/dbraw/zinc/02/95/04/1365029504.db2.gz MSHWSCAIKCOQFU-JNVNVXKGSA-N 2 1 349.563 3.149 20 0 EGADMP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001102430034 1365050584 /nfs/dbraw/zinc/05/05/84/1365050584.db2.gz BERQYOGIVXLQPA-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C)C(C)C ZINC001102472330 1365074830 /nfs/dbraw/zinc/07/48/30/1365074830.db2.gz WEHZICOUNXMWLA-QRVBRYPASA-N 2 1 337.552 3.003 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC=C(C)C)C[C@H]1C ZINC001102472382 1365074893 /nfs/dbraw/zinc/07/48/93/1365074893.db2.gz ZLMPCHQAJNCIRU-RTBURBONSA-N 2 1 337.552 3.149 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001102472382 1365074898 /nfs/dbraw/zinc/07/48/98/1365074898.db2.gz ZLMPCHQAJNCIRU-RTBURBONSA-N 2 1 337.552 3.149 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001102472382 1365074903 /nfs/dbraw/zinc/07/49/03/1365074903.db2.gz ZLMPCHQAJNCIRU-RTBURBONSA-N 2 1 337.552 3.149 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@@H](C)c2ccccc2C)C[C@H]1C ZINC001102525212 1365099363 /nfs/dbraw/zinc/09/93/63/1365099363.db2.gz PXSHNFCTZCYWOG-CEXWTWQISA-N 2 1 345.531 3.082 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2C)C[C@H]1C ZINC001102525212 1365099364 /nfs/dbraw/zinc/09/93/64/1365099364.db2.gz PXSHNFCTZCYWOG-CEXWTWQISA-N 2 1 345.531 3.082 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2C)C[C@H]1C ZINC001102525212 1365099365 /nfs/dbraw/zinc/09/93/65/1365099365.db2.gz PXSHNFCTZCYWOG-CEXWTWQISA-N 2 1 345.531 3.082 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001103060546 1365359377 /nfs/dbraw/zinc/35/93/77/1365359377.db2.gz RWPCESVYGVVRQV-AHSYYPKJSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001103060546 1365359378 /nfs/dbraw/zinc/35/93/78/1365359378.db2.gz RWPCESVYGVVRQV-AHSYYPKJSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001103060546 1365359379 /nfs/dbraw/zinc/35/93/79/1365359379.db2.gz RWPCESVYGVVRQV-AHSYYPKJSA-N 2 1 349.563 3.291 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103085252 1365373143 /nfs/dbraw/zinc/37/31/43/1365373143.db2.gz NSVQVSTYWSURRG-GGPKGHCWSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001103085252 1365373147 /nfs/dbraw/zinc/37/31/47/1365373147.db2.gz NSVQVSTYWSURRG-GGPKGHCWSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001103085252 1365373151 /nfs/dbraw/zinc/37/31/51/1365373151.db2.gz NSVQVSTYWSURRG-GGPKGHCWSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103234649 1365447757 /nfs/dbraw/zinc/44/77/57/1365447757.db2.gz ZSSCNKKSUULFAM-WAQVGJNASA-N 2 1 346.519 3.012 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103234649 1365447760 /nfs/dbraw/zinc/44/77/60/1365447760.db2.gz ZSSCNKKSUULFAM-WAQVGJNASA-N 2 1 346.519 3.012 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001185547496 1387744791 /nfs/dbraw/zinc/74/47/91/1387744791.db2.gz HZQRMIXYWUWEKI-IDPBEMBBSA-N 2 1 337.552 3.149 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001103368513 1365520797 /nfs/dbraw/zinc/52/07/97/1365520797.db2.gz ZFBGJJBPXAVMSM-ILENRSAMSA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001103368513 1365520799 /nfs/dbraw/zinc/52/07/99/1365520799.db2.gz ZFBGJJBPXAVMSM-ILENRSAMSA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001103368513 1365520802 /nfs/dbraw/zinc/52/08/02/1365520802.db2.gz ZFBGJJBPXAVMSM-ILENRSAMSA-N 2 1 349.563 3.147 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001103376132 1365523740 /nfs/dbraw/zinc/52/37/40/1365523740.db2.gz MAKIDYOCUBAXCW-IAGOWNOFSA-N 2 1 349.519 3.075 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001103536992 1365619900 /nfs/dbraw/zinc/61/99/00/1365619900.db2.gz MKFCFXPFFTWNAG-YLJYHZDGSA-N 2 1 345.531 3.236 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CCC)C1 ZINC001103662556 1365710905 /nfs/dbraw/zinc/71/09/05/1365710905.db2.gz BBQODZQSGUXETB-JNVNVXKGSA-N 2 1 337.552 3.149 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662556 1365710908 /nfs/dbraw/zinc/71/09/08/1365710908.db2.gz BBQODZQSGUXETB-JNVNVXKGSA-N 2 1 337.552 3.149 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662556 1365710910 /nfs/dbraw/zinc/71/09/10/1365710910.db2.gz BBQODZQSGUXETB-JNVNVXKGSA-N 2 1 337.552 3.149 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CC1CCCCCC1 ZINC001104000202 1365867551 /nfs/dbraw/zinc/86/75/51/1365867551.db2.gz YYTGLCJQWHKLNT-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104291336 1365977942 /nfs/dbraw/zinc/97/79/42/1365977942.db2.gz MSFOWYINGFOIJE-GGPKGHCWSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccccc1F ZINC001185707225 1387783606 /nfs/dbraw/zinc/78/36/06/1387783606.db2.gz ZIYWXQGFFOMTDU-JKSUJKDBSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC=C(C)C)C2)C1 ZINC001104573605 1366082992 /nfs/dbraw/zinc/08/29/92/1366082992.db2.gz XPXGEXHZZFPILM-AQNXPRMDSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001104676343 1366127253 /nfs/dbraw/zinc/12/72/53/1366127253.db2.gz GBJSUFGRPSLVCP-AHSYYPKJSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683568 1366130435 /nfs/dbraw/zinc/13/04/35/1366130435.db2.gz MAEBDYJKTRKHJG-PWBPZBFBSA-N 2 1 349.563 3.149 20 0 EGADMP CCCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104683149 1366130626 /nfs/dbraw/zinc/13/06/26/1366130626.db2.gz GTLZPXGAANTPFO-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001104742853 1366153186 /nfs/dbraw/zinc/15/31/86/1366153186.db2.gz PAGWFAALXYSENL-QZTJIDSGSA-N 2 1 346.519 3.047 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC)C1 ZINC001104803731 1366179686 /nfs/dbraw/zinc/17/96/86/1366179686.db2.gz YBYZJFFYZKMRGI-RTBURBONSA-N 2 1 339.568 3.373 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC)C1 ZINC001104895888 1366213439 /nfs/dbraw/zinc/21/34/39/1366213439.db2.gz HGESZGPGWOIICE-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001104932615 1366229522 /nfs/dbraw/zinc/22/95/22/1366229522.db2.gz DFTCTOUWQPRIPQ-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001104938586 1366231602 /nfs/dbraw/zinc/23/16/02/1366231602.db2.gz WGCRLGYALPBOJB-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001105067468 1366304486 /nfs/dbraw/zinc/30/44/86/1366304486.db2.gz CIGZHOSFXAUBMD-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C2(C[NH2+]C(C)C)CCC2)CC[N@H+]1C ZINC001105539598 1366518830 /nfs/dbraw/zinc/51/88/30/1366518830.db2.gz LDAVDUGNCHUNKK-OTWHNJEPSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001105541833 1366520357 /nfs/dbraw/zinc/52/03/57/1366520357.db2.gz KXJKWQNZBSWBKL-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CCC[C@@H]2C)CCC1 ZINC001105563040 1366532366 /nfs/dbraw/zinc/53/23/66/1366532366.db2.gz BKYTZRTYYSSPDQ-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CCC[C@H]2C)CCC1 ZINC001105563548 1366533019 /nfs/dbraw/zinc/53/30/19/1366533019.db2.gz PBNBLYOQYKXRLX-RTBURBONSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2cccc(C)c2)[C@H](C)C1 ZINC001106839618 1366813532 /nfs/dbraw/zinc/81/35/32/1366813532.db2.gz LJODOILDQSTEFN-WSTZPKSXSA-N 2 1 345.531 3.082 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328990 1366930012 /nfs/dbraw/zinc/93/00/12/1366930012.db2.gz DQGDUVVVZNZROQ-QWFCFKBJSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107328990 1366930015 /nfs/dbraw/zinc/93/00/15/1366930015.db2.gz DQGDUVVVZNZROQ-QWFCFKBJSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107328990 1366930017 /nfs/dbraw/zinc/93/00/17/1366930017.db2.gz DQGDUVVVZNZROQ-QWFCFKBJSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439365 1366963971 /nfs/dbraw/zinc/96/39/71/1366963971.db2.gz XVXGUOSUFMLXAK-SFHLNBCPSA-N 2 1 349.563 3.124 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442908 1366964950 /nfs/dbraw/zinc/96/49/50/1366964950.db2.gz QUTOZBFZCHKISH-SFHLNBCPSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442908 1366964952 /nfs/dbraw/zinc/96/49/52/1366964952.db2.gz QUTOZBFZCHKISH-SFHLNBCPSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107442908 1366964954 /nfs/dbraw/zinc/96/49/54/1366964954.db2.gz QUTOZBFZCHKISH-SFHLNBCPSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189309976 1366985069 /nfs/dbraw/zinc/98/50/69/1366985069.db2.gz DAKSXQAIPGJEQS-HSALFYBXSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCCC1)CC2 ZINC001107596419 1367064448 /nfs/dbraw/zinc/06/44/48/1367064448.db2.gz FZMDBJSXCNAFAD-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCCC1)CC2 ZINC001107596419 1367064450 /nfs/dbraw/zinc/06/44/50/1367064450.db2.gz FZMDBJSXCNAFAD-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCCC1)CC2 ZINC001107596419 1367064455 /nfs/dbraw/zinc/06/44/55/1367064455.db2.gz FZMDBJSXCNAFAD-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC)CC2 ZINC001107607303 1367068257 /nfs/dbraw/zinc/06/82/57/1367068257.db2.gz UXQFSTNHXQUPHF-UYAOXDASSA-N 2 1 337.552 3.269 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@@]1(C)CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001324958417 1387850699 /nfs/dbraw/zinc/85/06/99/1387850699.db2.gz SSMRDDBVWIKPJD-HXUWFJFHSA-N 2 1 339.568 3.373 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109371758 1367091898 /nfs/dbraw/zinc/09/18/98/1367091898.db2.gz SYGHRURLDVZEKJ-XWSJACJDSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001109371758 1367091904 /nfs/dbraw/zinc/09/19/04/1367091904.db2.gz SYGHRURLDVZEKJ-XWSJACJDSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001109371758 1367091910 /nfs/dbraw/zinc/09/19/10/1367091910.db2.gz SYGHRURLDVZEKJ-XWSJACJDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107652611 1367094924 /nfs/dbraw/zinc/09/49/24/1367094924.db2.gz XRNSFKFKPFOKPV-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109399854 1367104008 /nfs/dbraw/zinc/10/40/08/1367104008.db2.gz ZMAQAPRFWAKRRK-DIYYGHKSSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109399854 1367104009 /nfs/dbraw/zinc/10/40/09/1367104009.db2.gz ZMAQAPRFWAKRRK-DIYYGHKSSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001109399854 1367104013 /nfs/dbraw/zinc/10/40/13/1367104013.db2.gz ZMAQAPRFWAKRRK-DIYYGHKSSA-N 2 1 347.547 3.327 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109397298 1367104148 /nfs/dbraw/zinc/10/41/48/1367104148.db2.gz VTJASIWYVFNGHO-ZRNYENFQSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001109397298 1367104150 /nfs/dbraw/zinc/10/41/50/1367104150.db2.gz VTJASIWYVFNGHO-ZRNYENFQSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001109397298 1367104152 /nfs/dbraw/zinc/10/41/52/1367104152.db2.gz VTJASIWYVFNGHO-ZRNYENFQSA-N 2 1 349.563 3.122 20 0 EGADMP CCc1nccn1[C@@H](C)CC(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001190248114 1367208284 /nfs/dbraw/zinc/20/82/84/1367208284.db2.gz WZUAKNCEBJVPAZ-DLBZAZTESA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001190248114 1367208293 /nfs/dbraw/zinc/20/82/93/1367208293.db2.gz WZUAKNCEBJVPAZ-DLBZAZTESA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001190248114 1367208302 /nfs/dbraw/zinc/20/83/02/1367208302.db2.gz WZUAKNCEBJVPAZ-DLBZAZTESA-N 2 1 348.535 3.366 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190654290 1367318714 /nfs/dbraw/zinc/31/87/14/1367318714.db2.gz JKOZSUVEMKIBIT-LXORQPIJSA-N 2 1 335.536 3.138 20 0 EGADMP CC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190654290 1367318721 /nfs/dbraw/zinc/31/87/21/1367318721.db2.gz JKOZSUVEMKIBIT-LXORQPIJSA-N 2 1 335.536 3.138 20 0 EGADMP CC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190654290 1367318726 /nfs/dbraw/zinc/31/87/26/1367318726.db2.gz JKOZSUVEMKIBIT-LXORQPIJSA-N 2 1 335.536 3.138 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC(C)(C)C)CC1 ZINC001109798800 1367328842 /nfs/dbraw/zinc/32/88/42/1367328842.db2.gz SPVZNDWWXRPNOA-QYZOEREBSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798790 1367329352 /nfs/dbraw/zinc/32/93/52/1367329352.db2.gz SBHCMLFPGQDSQQ-YDZRNGNQSA-N 2 1 335.536 3.161 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001109798790 1367329359 /nfs/dbraw/zinc/32/93/59/1367329359.db2.gz SBHCMLFPGQDSQQ-YDZRNGNQSA-N 2 1 335.536 3.161 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001109798790 1367329363 /nfs/dbraw/zinc/32/93/63/1367329363.db2.gz SBHCMLFPGQDSQQ-YDZRNGNQSA-N 2 1 335.536 3.161 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001190996471 1367398174 /nfs/dbraw/zinc/39/81/74/1367398174.db2.gz FTFBTGLCQSWVNS-CVEARBPZSA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001190996471 1367398176 /nfs/dbraw/zinc/39/81/76/1367398176.db2.gz FTFBTGLCQSWVNS-CVEARBPZSA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001190996471 1367398184 /nfs/dbraw/zinc/39/81/84/1367398184.db2.gz FTFBTGLCQSWVNS-CVEARBPZSA-N 2 1 349.494 3.150 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CC2CCCCCC2)C1 ZINC001191029035 1367404939 /nfs/dbraw/zinc/40/49/39/1367404939.db2.gz FPGWUSZRVKPEOY-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001109969671 1367435454 /nfs/dbraw/zinc/43/54/54/1367435454.db2.gz VRAOLLKHCOGKPG-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1ccccc1C ZINC001110016336 1367459443 /nfs/dbraw/zinc/45/94/43/1367459443.db2.gz JCBGDALEOFTXOZ-JYBIWHBTSA-N 2 1 343.515 3.119 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ccccc1C ZINC001110016336 1367459447 /nfs/dbraw/zinc/45/94/47/1367459447.db2.gz JCBGDALEOFTXOZ-JYBIWHBTSA-N 2 1 343.515 3.119 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ccccc1C ZINC001110016336 1367459450 /nfs/dbraw/zinc/45/94/50/1367459450.db2.gz JCBGDALEOFTXOZ-JYBIWHBTSA-N 2 1 343.515 3.119 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](CC)c1ccccc1 ZINC001110022388 1367461551 /nfs/dbraw/zinc/46/15/51/1367461551.db2.gz WBESRURGUWPXCA-WCIQWLHISA-N 2 1 343.515 3.201 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](CC)c1ccccc1 ZINC001110022388 1367461555 /nfs/dbraw/zinc/46/15/55/1367461555.db2.gz WBESRURGUWPXCA-WCIQWLHISA-N 2 1 343.515 3.201 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](CC)c1ccccc1 ZINC001110022388 1367461558 /nfs/dbraw/zinc/46/15/58/1367461558.db2.gz WBESRURGUWPXCA-WCIQWLHISA-N 2 1 343.515 3.201 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1cccc(C)c1 ZINC001110021921 1367461673 /nfs/dbraw/zinc/46/16/73/1367461673.db2.gz NYLPFNUJGNYRLL-LMCOJAPRSA-N 2 1 343.515 3.119 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1cccc(C)c1 ZINC001110021921 1367461678 /nfs/dbraw/zinc/46/16/78/1367461678.db2.gz NYLPFNUJGNYRLL-LMCOJAPRSA-N 2 1 343.515 3.119 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1cccc(C)c1 ZINC001110021921 1367461682 /nfs/dbraw/zinc/46/16/82/1367461682.db2.gz NYLPFNUJGNYRLL-LMCOJAPRSA-N 2 1 343.515 3.119 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(F)ccc2C)C[C@H]1C ZINC001191416464 1367498916 /nfs/dbraw/zinc/49/89/16/1367498916.db2.gz IFTKDAXQAMDASI-WBVHZDCISA-N 2 1 335.467 3.267 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cc(F)ccc2C)C[C@H]1C ZINC001191416464 1367498919 /nfs/dbraw/zinc/49/89/19/1367498919.db2.gz IFTKDAXQAMDASI-WBVHZDCISA-N 2 1 335.467 3.267 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc(F)ccc2C)C[C@H]1C ZINC001191416464 1367498922 /nfs/dbraw/zinc/49/89/22/1367498922.db2.gz IFTKDAXQAMDASI-WBVHZDCISA-N 2 1 335.467 3.267 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1)[NH+]1CCCCC1 ZINC001110158667 1367530539 /nfs/dbraw/zinc/53/05/39/1367530539.db2.gz SHMWKZPXNWESBB-FYQPLNBISA-N 2 1 347.547 3.019 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191989332 1367658915 /nfs/dbraw/zinc/65/89/15/1367658915.db2.gz TVNWVZCCOPUBBA-QGZVFWFLSA-N 2 1 335.492 3.068 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CC[C@H]([N@@H+](C)CCC3CCCCCC3)C2)CC1 ZINC001192017059 1367666163 /nfs/dbraw/zinc/66/61/63/1367666163.db2.gz NRPCQVQZIQYZDA-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001192317437 1367748503 /nfs/dbraw/zinc/74/85/03/1367748503.db2.gz TTWGYRGQMHWKHD-PMACEKPBSA-N 2 1 345.531 3.148 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192378713 1367768890 /nfs/dbraw/zinc/76/88/90/1367768890.db2.gz XORXTLUNZKWNHO-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001192378713 1367768895 /nfs/dbraw/zinc/76/88/95/1367768895.db2.gz XORXTLUNZKWNHO-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001192378713 1367768897 /nfs/dbraw/zinc/76/88/97/1367768897.db2.gz XORXTLUNZKWNHO-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001192640559 1367839528 /nfs/dbraw/zinc/83/95/28/1367839528.db2.gz BVSAUBWNXGGQGB-QGZVFWFLSA-N 2 1 348.535 3.366 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001192640559 1367839533 /nfs/dbraw/zinc/83/95/33/1367839533.db2.gz BVSAUBWNXGGQGB-QGZVFWFLSA-N 2 1 348.535 3.366 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192657059 1367844058 /nfs/dbraw/zinc/84/40/58/1367844058.db2.gz XIXXQFDBLDQBEG-OBNUAKFSSA-N 2 1 335.536 3.140 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192680408 1367848750 /nfs/dbraw/zinc/84/87/50/1367848750.db2.gz QCJPVNNLFIKLFX-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC/C=C/CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001192906527 1367901332 /nfs/dbraw/zinc/90/13/32/1367901332.db2.gz MJSFOQUJUFFVNU-RQMBKDMJSA-N 2 1 337.552 3.388 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192906527 1367901337 /nfs/dbraw/zinc/90/13/37/1367901337.db2.gz MJSFOQUJUFFVNU-RQMBKDMJSA-N 2 1 337.552 3.388 20 0 EGADMP CC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192906527 1367901341 /nfs/dbraw/zinc/90/13/41/1367901341.db2.gz MJSFOQUJUFFVNU-RQMBKDMJSA-N 2 1 337.552 3.388 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110661595 1367903635 /nfs/dbraw/zinc/90/36/35/1367903635.db2.gz ZMAQAPRFWAKRRK-UXKFTAHHSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110661595 1367903636 /nfs/dbraw/zinc/90/36/36/1367903636.db2.gz ZMAQAPRFWAKRRK-UXKFTAHHSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001110661595 1367903638 /nfs/dbraw/zinc/90/36/38/1367903638.db2.gz ZMAQAPRFWAKRRK-UXKFTAHHSA-N 2 1 347.547 3.327 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383023 1368016136 /nfs/dbraw/zinc/01/61/36/1368016136.db2.gz NZKYNQAYAFLMKN-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC001193581027 1368066156 /nfs/dbraw/zinc/06/61/56/1368066156.db2.gz XQBAYJPIFVGIOI-IBGZPJMESA-N 2 1 335.536 3.142 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001193610461 1368073734 /nfs/dbraw/zinc/07/37/34/1368073734.db2.gz PIJZHRYTNWVUQN-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001193610461 1368073739 /nfs/dbraw/zinc/07/37/39/1368073739.db2.gz PIJZHRYTNWVUQN-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001193610461 1368073746 /nfs/dbraw/zinc/07/37/46/1368073746.db2.gz PIJZHRYTNWVUQN-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC2CCC(C)(C)CC2)C1 ZINC001193643342 1368082912 /nfs/dbraw/zinc/08/29/12/1368082912.db2.gz SQRMLHUMHBSZBY-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CC2CCC(C)(C)CC2)C1 ZINC001193643342 1368082919 /nfs/dbraw/zinc/08/29/19/1368082919.db2.gz SQRMLHUMHBSZBY-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCC(C)(C)CC2)C1 ZINC001193643342 1368082925 /nfs/dbraw/zinc/08/29/25/1368082925.db2.gz SQRMLHUMHBSZBY-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1)CC(C)(C)C ZINC001111031282 1368146442 /nfs/dbraw/zinc/14/64/42/1368146442.db2.gz RAPMXSNGKGOADZ-KURKYZTESA-N 2 1 349.563 3.122 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1)CC(C)(C)C ZINC001111031282 1368146446 /nfs/dbraw/zinc/14/64/46/1368146446.db2.gz RAPMXSNGKGOADZ-KURKYZTESA-N 2 1 349.563 3.122 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1)CC(C)(C)C ZINC001111031282 1368146447 /nfs/dbraw/zinc/14/64/47/1368146447.db2.gz RAPMXSNGKGOADZ-KURKYZTESA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001111097047 1368158426 /nfs/dbraw/zinc/15/84/26/1368158426.db2.gz ICTRVKKYOVXOPF-WTGUMLROSA-N 2 1 349.563 3.409 20 0 EGADMP C[N@@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194246734 1368217556 /nfs/dbraw/zinc/21/75/56/1368217556.db2.gz QNXLGRVCIWDPDY-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001111298646 1368258788 /nfs/dbraw/zinc/25/87/88/1368258788.db2.gz JESOWSXPAKLHLO-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1C[C@H](C)C[NH+](CCN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)C1 ZINC001195334911 1368422724 /nfs/dbraw/zinc/42/27/24/1368422724.db2.gz YLROJKSVDUNTHZ-MPJJRAAHSA-N 2 1 341.543 3.171 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001186421085 1387939253 /nfs/dbraw/zinc/93/92/53/1387939253.db2.gz XYKVOUPXFIOESU-RBUKOAKNSA-N 2 1 339.568 3.371 20 0 EGADMP CC(C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001111818264 1368480069 /nfs/dbraw/zinc/48/00/69/1368480069.db2.gz ZHSMEUUWZLKABA-PXNSSMCTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001111818264 1368480071 /nfs/dbraw/zinc/48/00/71/1368480071.db2.gz ZHSMEUUWZLKABA-PXNSSMCTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001111818264 1368480075 /nfs/dbraw/zinc/48/00/75/1368480075.db2.gz ZHSMEUUWZLKABA-PXNSSMCTSA-N 2 1 335.536 3.020 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855770 1368508025 /nfs/dbraw/zinc/50/80/25/1368508025.db2.gz LVLVIWIKQDXBDF-KSGIUMMHSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001111868527 1368516150 /nfs/dbraw/zinc/51/61/50/1368516150.db2.gz BIQMLBBUHPLJHD-GZSVMNJZSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001111870609 1368517863 /nfs/dbraw/zinc/51/78/63/1368517863.db2.gz GQTLNDAALUIPSR-DGICPSGQSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001111870609 1368517867 /nfs/dbraw/zinc/51/78/67/1368517867.db2.gz GQTLNDAALUIPSR-DGICPSGQSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001111870609 1368517873 /nfs/dbraw/zinc/51/78/73/1368517873.db2.gz GQTLNDAALUIPSR-DGICPSGQSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111875255 1368521294 /nfs/dbraw/zinc/52/12/94/1368521294.db2.gz VHCIAQPRMJPXQZ-AUYOHBPWSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163256 1368560291 /nfs/dbraw/zinc/56/02/91/1368560291.db2.gz KZIXWGRTRMSCGB-SHCNBLLESA-N 2 1 344.503 3.041 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163256 1368560294 /nfs/dbraw/zinc/56/02/94/1368560294.db2.gz KZIXWGRTRMSCGB-SHCNBLLESA-N 2 1 344.503 3.041 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196641348 1368654776 /nfs/dbraw/zinc/65/47/76/1368654776.db2.gz BPCWIBNWHFKHQT-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CCc1ccccc1[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC=C(C)C ZINC001325367348 1387952507 /nfs/dbraw/zinc/95/25/07/1387952507.db2.gz UDEUICXMHURATL-VQTJNVASSA-N 2 1 343.515 3.056 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)C)C1 ZINC001112382204 1368810358 /nfs/dbraw/zinc/81/03/58/1368810358.db2.gz KODSHVLELYUQQG-ZVDOUQERSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C/CC[N@@H+]1CCCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001197453610 1368817693 /nfs/dbraw/zinc/81/76/93/1368817693.db2.gz IDIKJPCKVCEBPG-AATRIKPKSA-N 2 1 346.519 3.252 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001197453610 1368817695 /nfs/dbraw/zinc/81/76/95/1368817695.db2.gz IDIKJPCKVCEBPG-AATRIKPKSA-N 2 1 346.519 3.252 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[NH+](CCCC(C)C)CC1 ZINC001197477940 1368823235 /nfs/dbraw/zinc/82/32/35/1368823235.db2.gz PZVJBKRRVWHIIH-UHFFFAOYSA-N 2 1 339.568 3.469 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@H+](CCCC(C)C)CC1 ZINC001197477940 1368823242 /nfs/dbraw/zinc/82/32/42/1368823242.db2.gz PZVJBKRRVWHIIH-UHFFFAOYSA-N 2 1 339.568 3.469 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@@H+](CCCC(C)C)CC1 ZINC001197477940 1368823245 /nfs/dbraw/zinc/82/32/45/1368823245.db2.gz PZVJBKRRVWHIIH-UHFFFAOYSA-N 2 1 339.568 3.469 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCCN(C(=O)C[NH+](CC)CC)CC1 ZINC001197510528 1368829688 /nfs/dbraw/zinc/82/96/88/1368829688.db2.gz DFZJKNCGHSQHMG-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001197809512 1368903365 /nfs/dbraw/zinc/90/33/65/1368903365.db2.gz BRPXLAKXQFJGIL-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001197898940 1368921859 /nfs/dbraw/zinc/92/18/59/1368921859.db2.gz IUOTVQIZVAFEAD-KRWDZBQOSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001197898940 1368921863 /nfs/dbraw/zinc/92/18/63/1368921863.db2.gz IUOTVQIZVAFEAD-KRWDZBQOSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@H+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001197898940 1368921865 /nfs/dbraw/zinc/92/18/65/1368921865.db2.gz IUOTVQIZVAFEAD-KRWDZBQOSA-N 2 1 349.494 3.153 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001198220970 1368982709 /nfs/dbraw/zinc/98/27/09/1368982709.db2.gz AWVNZESISHDYSH-ARHOITHKSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001198220970 1368982712 /nfs/dbraw/zinc/98/27/12/1368982712.db2.gz AWVNZESISHDYSH-ARHOITHKSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198259978 1368992533 /nfs/dbraw/zinc/99/25/33/1368992533.db2.gz VXKCLCLWGBVINI-PRPIBZDOSA-N 2 1 343.515 3.180 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198259978 1368992540 /nfs/dbraw/zinc/99/25/40/1368992540.db2.gz VXKCLCLWGBVINI-PRPIBZDOSA-N 2 1 343.515 3.180 20 0 EGADMP CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC001199276863 1369200838 /nfs/dbraw/zinc/20/08/38/1369200838.db2.gz VMTUHCKPSRAQJE-PXNSSMCTSA-N 2 1 343.515 3.133 20 0 EGADMP C[N@H+](CCC(=O)N1CC[NH+](CC2=CCCCC2)CC1)C1CCCCC1 ZINC001113156811 1369233079 /nfs/dbraw/zinc/23/30/79/1369233079.db2.gz ZZVGBIRTWPITRX-UHFFFAOYSA-N 2 1 347.547 3.286 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[NH+](CC2=CCCCC2)CC1)C1CCCCC1 ZINC001113156811 1369233086 /nfs/dbraw/zinc/23/30/86/1369233086.db2.gz ZZVGBIRTWPITRX-UHFFFAOYSA-N 2 1 347.547 3.286 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001113248365 1369290385 /nfs/dbraw/zinc/29/03/85/1369290385.db2.gz XMPMIGMSMDOEPB-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP CC/C=C\CC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001113252526 1369293389 /nfs/dbraw/zinc/29/33/89/1369293389.db2.gz VBBYLPDFQXLACN-XQQSMPNESA-N 2 1 347.547 3.284 20 0 EGADMP CC/C=C\CC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001113252526 1369293390 /nfs/dbraw/zinc/29/33/90/1369293390.db2.gz VBBYLPDFQXLACN-XQQSMPNESA-N 2 1 347.547 3.284 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001201268376 1369507612 /nfs/dbraw/zinc/50/76/12/1369507612.db2.gz YISUJTOUQPFTAW-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001201314572 1369517604 /nfs/dbraw/zinc/51/76/04/1369517604.db2.gz YJFPBFQWFCJTIC-HNNXBMFYSA-N 2 1 349.494 3.198 20 0 EGADMP CCOC(=O)C1CC[NH+](C2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC001201409011 1369538630 /nfs/dbraw/zinc/53/86/30/1369538630.db2.gz OKRHNPXJDPUXTP-QGZVFWFLSA-N 2 1 334.504 3.082 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203100823 1369983529 /nfs/dbraw/zinc/98/35/29/1369983529.db2.gz ACVWOSOHLUHMBI-QZTJIDSGSA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203104713 1369984818 /nfs/dbraw/zinc/98/48/18/1369984818.db2.gz TXMMQGLZHVSPOA-ZWKOTPCHSA-N 2 1 349.563 3.314 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203167224 1370006990 /nfs/dbraw/zinc/00/69/90/1370006990.db2.gz DNYYLISKPRDAKQ-IRXDYDNUSA-N 2 1 346.519 3.035 20 0 EGADMP Cc1cncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001203180528 1370013850 /nfs/dbraw/zinc/01/38/50/1370013850.db2.gz MZEDHNYUDMCBDL-WOJBJXKFSA-N 2 1 336.483 3.129 20 0 EGADMP Cc1cncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001203180528 1370013853 /nfs/dbraw/zinc/01/38/53/1370013853.db2.gz MZEDHNYUDMCBDL-WOJBJXKFSA-N 2 1 336.483 3.129 20 0 EGADMP Cc1cncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001203180528 1370013856 /nfs/dbraw/zinc/01/38/56/1370013856.db2.gz MZEDHNYUDMCBDL-WOJBJXKFSA-N 2 1 336.483 3.129 20 0 EGADMP CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203233068 1370034610 /nfs/dbraw/zinc/03/46/10/1370034610.db2.gz ZRGKUPRWSKOHNT-ZWKOTPCHSA-N 2 1 335.536 3.068 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC([NH2+]CC2CCC2)CC1)c1ccccc1 ZINC001203312185 1370077747 /nfs/dbraw/zinc/07/77/47/1370077747.db2.gz AJHGQMOINXHADT-FQEVSTJZSA-N 2 1 343.515 3.060 20 0 EGADMP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203419500 1370118502 /nfs/dbraw/zinc/11/85/02/1370118502.db2.gz LYALVPLIOVEMAN-ROUUACIJSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203425094 1370120078 /nfs/dbraw/zinc/12/00/78/1370120078.db2.gz AFTORDFMHIGOPN-DLBZAZTESA-N 2 1 337.552 3.027 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C12CCC2)CC(C)(C)C ZINC001203426796 1370121426 /nfs/dbraw/zinc/12/14/26/1370121426.db2.gz QPTNJEMPGWSRPG-ROUUACIJSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001203442184 1370128173 /nfs/dbraw/zinc/12/81/73/1370128173.db2.gz FWSQMGYMXHMQFK-UHFFFAOYSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+][C@H](CC)c2ccccc2)CC1 ZINC001203443273 1370128797 /nfs/dbraw/zinc/12/87/97/1370128797.db2.gz RGMGESGCVLMRBN-HXUWFJFHSA-N 2 1 345.531 3.450 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@@H]([NH2+]CCC(C)C)C12CCC2 ZINC001203490630 1370143490 /nfs/dbraw/zinc/14/34/90/1370143490.db2.gz DDKCEGNZIUHIAX-QZTJIDSGSA-N 2 1 346.519 3.035 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203507016 1370148320 /nfs/dbraw/zinc/14/83/20/1370148320.db2.gz MUOIOBCLKZOIJX-RBUKOAKNSA-N 2 1 349.563 3.316 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCCC)C12CCC2 ZINC001203506498 1370148387 /nfs/dbraw/zinc/14/83/87/1370148387.db2.gz JLMXARPXKZPCIQ-ROUUACIJSA-N 2 1 337.552 3.316 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC)C12CCC2 ZINC001203506496 1370148406 /nfs/dbraw/zinc/14/84/06/1370148406.db2.gz JLMXARPXKZPCIQ-MSOLQXFVSA-N 2 1 337.552 3.316 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001114920734 1370149588 /nfs/dbraw/zinc/14/95/88/1370149588.db2.gz AAMOKTNHHPRCFL-GKFHCURPSA-N 2 1 347.547 3.044 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203576488 1370176626 /nfs/dbraw/zinc/17/66/26/1370176626.db2.gz DWVKBJWMZPTTRN-MOPGFXCFSA-N 2 1 349.563 3.316 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203641643 1370198910 /nfs/dbraw/zinc/19/89/10/1370198910.db2.gz SQQTXXDUONSMQC-XXCOWLKOSA-N 2 1 335.536 3.092 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC001203868140 1370294368 /nfs/dbraw/zinc/29/43/68/1370294368.db2.gz YKCLCRPHZSLBEM-UHFFFAOYSA-N 2 1 333.520 3.022 20 0 EGADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(Oc2ccccc2)cc1 ZINC001203945006 1370325797 /nfs/dbraw/zinc/32/57/97/1370325797.db2.gz WVBVQBQOBASEEP-UHFFFAOYSA-N 2 1 339.483 3.158 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001115249866 1370344557 /nfs/dbraw/zinc/34/45/57/1370344557.db2.gz OHBCOKLSJOVWRL-GJPWGKPRSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccccn3)C[C@H]21 ZINC001204060921 1370364052 /nfs/dbraw/zinc/36/40/52/1370364052.db2.gz JDCFHPURENSYRZ-IOMROCGXSA-N 2 1 336.483 3.209 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccccn3)C[C@H]21 ZINC001204060921 1370364054 /nfs/dbraw/zinc/36/40/54/1370364054.db2.gz JDCFHPURENSYRZ-IOMROCGXSA-N 2 1 336.483 3.209 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC001204060921 1370364062 /nfs/dbraw/zinc/36/40/62/1370364062.db2.gz JDCFHPURENSYRZ-IOMROCGXSA-N 2 1 336.483 3.209 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC001204060921 1370364071 /nfs/dbraw/zinc/36/40/71/1370364071.db2.gz JDCFHPURENSYRZ-IOMROCGXSA-N 2 1 336.483 3.209 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccccn3)C[C@@H]21 ZINC001204060920 1370364320 /nfs/dbraw/zinc/36/43/20/1370364320.db2.gz JDCFHPURENSYRZ-DZFGPLHGSA-N 2 1 336.483 3.209 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccccn3)C[C@@H]21 ZINC001204060920 1370364326 /nfs/dbraw/zinc/36/43/26/1370364326.db2.gz JDCFHPURENSYRZ-DZFGPLHGSA-N 2 1 336.483 3.209 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC001204060920 1370364333 /nfs/dbraw/zinc/36/43/33/1370364333.db2.gz JDCFHPURENSYRZ-DZFGPLHGSA-N 2 1 336.483 3.209 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC001204060920 1370364339 /nfs/dbraw/zinc/36/43/39/1370364339.db2.gz JDCFHPURENSYRZ-DZFGPLHGSA-N 2 1 336.483 3.209 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)cc1 ZINC001204262918 1370424966 /nfs/dbraw/zinc/42/49/66/1370424966.db2.gz AWVBVLXHJWNBMV-CALCHBBNSA-N 2 1 338.442 3.494 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115450421 1370458342 /nfs/dbraw/zinc/45/83/42/1370458342.db2.gz AFDPQGQUPCQYNC-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3c(C)nn(-c4ccccc4)c3C)C[C@@H]2C1 ZINC001204450866 1370479993 /nfs/dbraw/zinc/47/99/93/1370479993.db2.gz PYISVHWRBBBSRY-OALUTQOASA-N 2 1 338.499 3.263 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5c(c4)CCO5)C[C@H]3C2)cc1 ZINC001204489793 1370489611 /nfs/dbraw/zinc/48/96/11/1370489611.db2.gz NQOOIZGHRGNGER-FGZHOGPDSA-N 2 1 348.490 3.494 20 0 EGADMP c1csc(C[N@H+]2C[C@H]3CN(Cc4ccc5c(c4)CCO5)C[C@H]3C2)c1 ZINC001204489233 1370489874 /nfs/dbraw/zinc/48/98/74/1370489874.db2.gz JEOAWQHKWWVACP-HDICACEKSA-N 2 1 340.492 3.247 20 0 EGADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc5c(c4)CCO5)C[C@H]3C2)c1 ZINC001204489233 1370489884 /nfs/dbraw/zinc/48/98/84/1370489884.db2.gz JEOAWQHKWWVACP-HDICACEKSA-N 2 1 340.492 3.247 20 0 EGADMP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc5c(c4)CCO5)C[C@H]3C2)c1 ZINC001204489233 1370489888 /nfs/dbraw/zinc/48/98/88/1370489888.db2.gz JEOAWQHKWWVACP-HDICACEKSA-N 2 1 340.492 3.247 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc5c(c4)CCO5)C[C@H]3C2)c1 ZINC001204489233 1370489890 /nfs/dbraw/zinc/48/98/90/1370489890.db2.gz JEOAWQHKWWVACP-HDICACEKSA-N 2 1 340.492 3.247 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc5c(c4)CCO5)C[C@H]3C2)c1 ZINC001204489233 1370489892 /nfs/dbraw/zinc/48/98/92/1370489892.db2.gz JEOAWQHKWWVACP-HDICACEKSA-N 2 1 340.492 3.247 20 0 EGADMP Cc1cc(C[N@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)oc1C ZINC001204531334 1370506009 /nfs/dbraw/zinc/50/60/09/1370506009.db2.gz NBFBXTMQDDYVCX-MOPGFXCFSA-N 2 1 325.456 3.245 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)oc1C ZINC001204531334 1370506013 /nfs/dbraw/zinc/50/60/13/1370506013.db2.gz NBFBXTMQDDYVCX-MOPGFXCFSA-N 2 1 325.456 3.245 20 0 EGADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)oc1C ZINC001204531334 1370506017 /nfs/dbraw/zinc/50/60/17/1370506017.db2.gz NBFBXTMQDDYVCX-MOPGFXCFSA-N 2 1 325.456 3.245 20 0 EGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)oc1C ZINC001204531334 1370506020 /nfs/dbraw/zinc/50/60/20/1370506020.db2.gz NBFBXTMQDDYVCX-MOPGFXCFSA-N 2 1 325.456 3.245 20 0 EGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)oc1C ZINC001204531334 1370506024 /nfs/dbraw/zinc/50/60/24/1370506024.db2.gz NBFBXTMQDDYVCX-MOPGFXCFSA-N 2 1 325.456 3.245 20 0 EGADMP Cc1c(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)cnn1C ZINC001204570502 1370519079 /nfs/dbraw/zinc/51/90/79/1370519079.db2.gz MCIRVIVYIVJXRL-ACRUOGEOSA-N 2 1 338.499 3.339 20 0 EGADMP Cc1c(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)cnn1C ZINC001204570502 1370519081 /nfs/dbraw/zinc/51/90/81/1370519081.db2.gz MCIRVIVYIVJXRL-ACRUOGEOSA-N 2 1 338.499 3.339 20 0 EGADMP Cc1c(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)cnn1C ZINC001204570502 1370519087 /nfs/dbraw/zinc/51/90/87/1370519087.db2.gz MCIRVIVYIVJXRL-ACRUOGEOSA-N 2 1 338.499 3.339 20 0 EGADMP Cc1c(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)cnn1C ZINC001204570502 1370519089 /nfs/dbraw/zinc/51/90/89/1370519089.db2.gz MCIRVIVYIVJXRL-ACRUOGEOSA-N 2 1 338.499 3.339 20 0 EGADMP Cc1nc[nH]c1C[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001204589102 1370525658 /nfs/dbraw/zinc/52/56/58/1370525658.db2.gz FABCSWTYCPJOBI-SFHVURJKSA-N 2 1 328.460 3.188 20 0 EGADMP COc1ccc2c(c1)c(C[N@H+]1CCCC3(CC[NH2+]CC3)C1)cn2C ZINC001204734970 1370558930 /nfs/dbraw/zinc/55/89/30/1370558930.db2.gz HTCHUKBOGWUJJR-UHFFFAOYSA-N 2 1 327.472 3.153 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CCCC[C@H]3CN)cc2)cc1 ZINC001204931341 1370608255 /nfs/dbraw/zinc/60/82/55/1370608255.db2.gz BCZQIBJDJCCUDC-FQEVSTJZSA-N 2 1 338.451 3.453 20 0 EGADMP CCC/C=C/CC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCCCC1 ZINC001115630764 1370623780 /nfs/dbraw/zinc/62/37/80/1370623780.db2.gz YEKPLJRZOBEZOO-AATRIKPKSA-N 2 1 346.519 3.347 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C)c1C)C2 ZINC001205076319 1370644285 /nfs/dbraw/zinc/64/42/85/1370644285.db2.gz UQKXERQZYBCJKV-VXKWHMMOSA-N 2 1 342.527 3.484 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(C)c1C)C2 ZINC001205076319 1370644291 /nfs/dbraw/zinc/64/42/91/1370644291.db2.gz UQKXERQZYBCJKV-VXKWHMMOSA-N 2 1 342.527 3.484 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(C)c1C)C2 ZINC001205076319 1370644299 /nfs/dbraw/zinc/64/42/99/1370644299.db2.gz UQKXERQZYBCJKV-VXKWHMMOSA-N 2 1 342.527 3.484 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C[C@H]1C[NH3+] ZINC001205136070 1370660107 /nfs/dbraw/zinc/66/01/07/1370660107.db2.gz KEZHDOHQAIFTKB-MAUKXSAKSA-N 2 1 328.431 3.431 20 0 EGADMP C[C@H]1C[N@H+](Cc2cc(F)cc(OCc3ccccc3)c2)C[C@H]1C[NH3+] ZINC001205155764 1370665717 /nfs/dbraw/zinc/66/57/17/1370665717.db2.gz CVGWBVVNUSCRPH-MAUKXSAKSA-N 2 1 328.431 3.431 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc(F)cc(OCc3ccccc3)c2)C[C@H]1C[NH3+] ZINC001205155764 1370665721 /nfs/dbraw/zinc/66/57/21/1370665721.db2.gz CVGWBVVNUSCRPH-MAUKXSAKSA-N 2 1 328.431 3.431 20 0 EGADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)c(C)c1)C2 ZINC001205172675 1370670084 /nfs/dbraw/zinc/67/00/84/1370670084.db2.gz WAAIDPQEZMOVOA-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)c(C)c1)C2 ZINC001205172675 1370670086 /nfs/dbraw/zinc/67/00/86/1370670086.db2.gz WAAIDPQEZMOVOA-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(F)c(C)c1)C2 ZINC001205172675 1370670089 /nfs/dbraw/zinc/67/00/89/1370670089.db2.gz WAAIDPQEZMOVOA-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(F)c(C)c1)C2 ZINC001205172675 1370670093 /nfs/dbraw/zinc/67/00/93/1370670093.db2.gz WAAIDPQEZMOVOA-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2([NH2+]CC(C)C)CCCCC2)C1 ZINC001115688027 1370670854 /nfs/dbraw/zinc/67/08/54/1370670854.db2.gz HOBAQOAIESYWQS-SFHVURJKSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2[nH]nc3cc(Br)ccc32)CC1 ZINC001205280714 1370704669 /nfs/dbraw/zinc/70/46/69/1370704669.db2.gz GYSQHSFTVKOPOU-OAHLLOKOSA-N 2 1 337.265 3.029 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1OC(F)(F)F ZINC001205280697 1370705051 /nfs/dbraw/zinc/70/50/51/1370705051.db2.gz GOVWXLBAWZUCKJ-HNNXBMFYSA-N 2 1 332.366 3.297 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205283481 1370705867 /nfs/dbraw/zinc/70/58/67/1370705867.db2.gz CRBLUNKSQHLMIB-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccnc(OCc3ccccc3)c2)CC1 ZINC001205296102 1370710052 /nfs/dbraw/zinc/71/00/52/1370710052.db2.gz GVXYVNFMIDUWBA-FQEVSTJZSA-N 2 1 325.456 3.364 20 0 EGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccnc(OCc3ccccc3)c2)CC1 ZINC001205296102 1370710059 /nfs/dbraw/zinc/71/00/59/1370710059.db2.gz GVXYVNFMIDUWBA-FQEVSTJZSA-N 2 1 325.456 3.364 20 0 EGADMP CCC/C=C\CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115729422 1370710750 /nfs/dbraw/zinc/71/07/50/1370710750.db2.gz FMLXBRQMSLZNGO-SFFCAUCYSA-N 2 1 349.563 3.483 20 0 EGADMP CCC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CCCCC1 ZINC001115729476 1370711350 /nfs/dbraw/zinc/71/13/50/1370711350.db2.gz HVNKPMYZSYWNAF-IBGZPJMESA-N 2 1 341.515 3.018 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205303284 1370713764 /nfs/dbraw/zinc/71/37/64/1370713764.db2.gz BYKJEHABQICZMH-CABCVRRESA-N 2 1 343.471 3.070 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205303284 1370713766 /nfs/dbraw/zinc/71/37/66/1370713766.db2.gz BYKJEHABQICZMH-CABCVRRESA-N 2 1 343.471 3.070 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cc(OCc3ccccc3)ccn2)C[C@@H]1C[NH3+] ZINC001205303311 1370713968 /nfs/dbraw/zinc/71/39/68/1370713968.db2.gz CMAVKIGSMBVNES-WMZOPIPTSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)ccn2)C[C@@H]1C[NH3+] ZINC001205303311 1370713972 /nfs/dbraw/zinc/71/39/72/1370713972.db2.gz CMAVKIGSMBVNES-WMZOPIPTSA-N 2 1 325.456 3.077 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc(C)c1Br ZINC001205304334 1370714031 /nfs/dbraw/zinc/71/40/31/1370714031.db2.gz NWGXVTBNSCVPCJ-NHYWBVRUSA-N 2 1 325.294 3.483 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc(C)c1Br ZINC001205304334 1370714036 /nfs/dbraw/zinc/71/40/36/1370714036.db2.gz NWGXVTBNSCVPCJ-NHYWBVRUSA-N 2 1 325.294 3.483 20 0 EGADMP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CC[NH2+]CC[C@@H]3C)c2)cc1 ZINC001205332820 1370724044 /nfs/dbraw/zinc/72/40/44/1370724044.db2.gz UFWQIHGMUHKESE-INIZCTEOSA-N 2 1 338.451 3.324 20 0 EGADMP COC(=O)c1ccc(-c2cccc(C[N@H+]3CC[NH2+]CC[C@@H]3C)c2)cc1 ZINC001205332820 1370724048 /nfs/dbraw/zinc/72/40/48/1370724048.db2.gz UFWQIHGMUHKESE-INIZCTEOSA-N 2 1 338.451 3.324 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCCC1 ZINC001115768906 1370753430 /nfs/dbraw/zinc/75/34/30/1370753430.db2.gz MMWDXPUKKKWASC-MSOLQXFVSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCCCC1 ZINC001115768950 1370753553 /nfs/dbraw/zinc/75/35/53/1370753553.db2.gz OHMZWPQXYLBEME-RTBURBONSA-N 2 1 347.547 3.378 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001205483455 1370769549 /nfs/dbraw/zinc/76/95/49/1370769549.db2.gz DVVASTJOAFRHAF-VZSQWMKGSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001205517357 1370778385 /nfs/dbraw/zinc/77/83/85/1370778385.db2.gz NUOJLGAPIWQNEH-SFHVURJKSA-N 2 1 343.559 3.112 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205518777 1370778587 /nfs/dbraw/zinc/77/85/87/1370778587.db2.gz KNYJHQCHATWBCE-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001205539399 1370785180 /nfs/dbraw/zinc/78/51/80/1370785180.db2.gz YODWHSWZGWKUDM-HXUWFJFHSA-N 3 1 333.495 3.052 20 0 EGADMP COc1ccc(Br)cc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545607 1370786860 /nfs/dbraw/zinc/78/68/60/1370786860.db2.gz KEJFPZNDDVOQOD-HNNXBMFYSA-N 2 1 345.256 3.111 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]Cc2cccc(C)c2)CC1 ZINC001205548914 1370787627 /nfs/dbraw/zinc/78/76/27/1370787627.db2.gz NOUWRPAIJUZSDZ-UHFFFAOYSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Br ZINC001205559582 1370790828 /nfs/dbraw/zinc/79/08/28/1370790828.db2.gz SEZMEUZXMDGNPW-OAHLLOKOSA-N 2 1 329.257 3.410 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001205558139 1370790871 /nfs/dbraw/zinc/79/08/71/1370790871.db2.gz CCBTVSMGYCFRCA-HNNXBMFYSA-N 2 1 344.356 3.235 20 0 EGADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205570957 1370795073 /nfs/dbraw/zinc/79/50/73/1370795073.db2.gz QPZVHUJPVLMRPK-OAHLLOKOSA-N 2 1 329.257 3.410 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccc(Cl)c(Br)n2)CC[C@H]1C[NH3+] ZINC001205637396 1370821696 /nfs/dbraw/zinc/82/16/96/1370821696.db2.gz GQRHYWCGNFSATF-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Br)n2)CC[C@H]1C[NH3+] ZINC001205637396 1370821702 /nfs/dbraw/zinc/82/17/02/1370821702.db2.gz GQRHYWCGNFSATF-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cc(Cl)cnc2Br)CC[C@@H]1C[NH3+] ZINC001205639498 1370822682 /nfs/dbraw/zinc/82/26/82/1370822682.db2.gz ZNEKZJSFGLGTIP-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc(Cl)cnc2Br)CC[C@@H]1C[NH3+] ZINC001205639498 1370822688 /nfs/dbraw/zinc/82/26/88/1370822688.db2.gz ZNEKZJSFGLGTIP-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cc(Br)ncc2Cl)CC[C@H]1C[NH3+] ZINC001205639058 1370823503 /nfs/dbraw/zinc/82/35/03/1370823503.db2.gz VJIHGTBWGNGBAG-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc(Br)ncc2Cl)CC[C@H]1C[NH3+] ZINC001205639058 1370823507 /nfs/dbraw/zinc/82/35/07/1370823507.db2.gz VJIHGTBWGNGBAG-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP CCSc1ncc2cccc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)n21 ZINC001205651614 1370829168 /nfs/dbraw/zinc/82/91/68/1370829168.db2.gz HKUJQCSQNOMOJU-GJZGRUSLSA-N 2 1 332.517 3.253 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)nc2)C1 ZINC001205725928 1370853435 /nfs/dbraw/zinc/85/34/35/1370853435.db2.gz NHQPNINJAGPGNS-LJQANCHMSA-N 2 1 345.874 3.078 20 0 EGADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001205832027 1370887152 /nfs/dbraw/zinc/88/71/52/1370887152.db2.gz YXIJKVSKGKMSKL-SMDDNHRTSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001205832027 1370887154 /nfs/dbraw/zinc/88/71/54/1370887154.db2.gz YXIJKVSKGKMSKL-SMDDNHRTSA-N 2 1 336.277 3.490 20 0 EGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)ccc21 ZINC001326006675 1388100626 /nfs/dbraw/zinc/10/06/26/1388100626.db2.gz GKFVGNFEQCOTLA-IBGZPJMESA-N 2 1 347.422 3.069 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001205913194 1370908700 /nfs/dbraw/zinc/90/87/00/1370908700.db2.gz HMIWYNBVJNEEGZ-NWDGAFQWSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001205917440 1370910665 /nfs/dbraw/zinc/91/06/65/1370910665.db2.gz YPZDVCRCVKCXHN-DGCLKSJQSA-N 2 1 334.357 3.483 20 0 EGADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC001205919542 1370911395 /nfs/dbraw/zinc/91/13/95/1370911395.db2.gz MNSQKWNFFJXKJD-UHFFFAOYSA-N 2 1 326.488 3.073 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC001116482027 1370922570 /nfs/dbraw/zinc/92/25/70/1370922570.db2.gz BMKWZKXISGBPDJ-CQSZACIVSA-N 2 1 347.532 3.373 20 0 EGADMP C[C@@H]1C[N@@H+](CCc2cccc(Br)c2)CCC[C@@H]1C[NH3+] ZINC001205985358 1370929801 /nfs/dbraw/zinc/92/98/01/1370929801.db2.gz XWCKFFJLYMZYRP-UKRRQHHQSA-N 2 1 325.294 3.298 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3F)nc2)CCC[C@H]1C[NH3+] ZINC001206003292 1370935523 /nfs/dbraw/zinc/93/55/23/1370935523.db2.gz GJGATBOCVAHXHX-HOCLYGCPSA-N 2 1 328.435 3.090 20 0 EGADMP CCOC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206003833 1370935557 /nfs/dbraw/zinc/93/55/57/1370935557.db2.gz MXXPKMMYPRSATM-LSDHHAIUSA-N 2 1 343.471 3.151 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001206007017 1370936271 /nfs/dbraw/zinc/93/62/71/1370936271.db2.gz WKTQWMYXSAPTOJ-LJQANCHMSA-N 2 1 337.552 3.127 20 0 EGADMP C[C@H]1C[N@H+](Cc2cc(Cl)cnc2Br)CCC[C@H]1C[NH3+] ZINC001206011211 1370937226 /nfs/dbraw/zinc/93/72/26/1370937226.db2.gz APXSCDZAJLLUOX-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc(Cl)cnc2Br)CCC[C@H]1C[NH3+] ZINC001206011211 1370937230 /nfs/dbraw/zinc/93/72/30/1370937230.db2.gz APXSCDZAJLLUOX-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@H](C(F)(F)C(=O)OCC)C1 ZINC001206084713 1370957032 /nfs/dbraw/zinc/95/70/32/1370957032.db2.gz MJGIKXBEHPPRHN-ILXRZTDVSA-N 2 1 334.451 3.064 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@H](C(F)(F)C(=O)OCC)C1 ZINC001206084713 1370957036 /nfs/dbraw/zinc/95/70/36/1370957036.db2.gz MJGIKXBEHPPRHN-ILXRZTDVSA-N 2 1 334.451 3.064 20 0 EGADMP Cc1cc(Br)cc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206197218 1370989835 /nfs/dbraw/zinc/98/98/35/1370989835.db2.gz GWZUFBYXOUJCMW-HUUCEWRRSA-N 2 1 329.257 3.327 20 0 EGADMP Cc1cc(Br)cc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206197218 1370989839 /nfs/dbraw/zinc/98/98/39/1370989839.db2.gz GWZUFBYXOUJCMW-HUUCEWRRSA-N 2 1 329.257 3.327 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(-c2ccccc2)cn1 ZINC001206209057 1370993073 /nfs/dbraw/zinc/99/30/73/1370993073.db2.gz AKUHFEXEGMSHET-ZWKOTPCHSA-N 2 1 329.419 3.018 20 0 EGADMP COc1cc(F)ccc1-c1cncc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206210338 1370993374 /nfs/dbraw/zinc/99/33/74/1370993374.db2.gz KDLQXQQRJZMXGM-MSOLQXFVSA-N 2 1 347.409 3.158 20 0 EGADMP COc1cc(F)ccc1-c1cncc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206210338 1370993377 /nfs/dbraw/zinc/99/33/77/1370993377.db2.gz KDLQXQQRJZMXGM-MSOLQXFVSA-N 2 1 347.409 3.158 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]CCC3=CCCCC3)CC2)C1 ZINC001206274251 1371009840 /nfs/dbraw/zinc/00/98/40/1371009840.db2.gz GDOXZQTUNVOGFS-GOSISDBHSA-N 2 1 347.547 3.047 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001326076507 1388109129 /nfs/dbraw/zinc/10/91/29/1388109129.db2.gz ZWVYSOQJATXYSS-OAHLLOKOSA-N 2 1 334.533 3.206 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(O)c(OC(F)(F)F)c2)CC1 ZINC001206327388 1371023739 /nfs/dbraw/zinc/02/37/39/1371023739.db2.gz WAMPKOZEIQXNIK-OAHLLOKOSA-N 2 1 332.366 3.242 20 0 EGADMP NC[C@@]1(F)CCCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206336296 1371026373 /nfs/dbraw/zinc/02/63/73/1371026373.db2.gz LDPAECBPFMCVFU-FQEVSTJZSA-N 3 1 333.495 3.052 20 0 EGADMP [NH3+]C[C@@]1(F)CCCCN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206336296 1371026377 /nfs/dbraw/zinc/02/63/77/1371026377.db2.gz LDPAECBPFMCVFU-FQEVSTJZSA-N 3 1 333.495 3.052 20 0 EGADMP Cn1nccc1CN1C[C@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001206338172 1371026627 /nfs/dbraw/zinc/02/66/27/1371026627.db2.gz XLNNGCONXPFHJP-ATZDWAIDSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1nccc1C[N@@H+]1C[C@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001206338172 1371026632 /nfs/dbraw/zinc/02/66/32/1371026632.db2.gz XLNNGCONXPFHJP-ATZDWAIDSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1nccc1C[N@H+]1C[C@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001206338172 1371026635 /nfs/dbraw/zinc/02/66/35/1371026635.db2.gz XLNNGCONXPFHJP-ATZDWAIDSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1nccc1C[NH+]1C[C@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001206338172 1371026640 /nfs/dbraw/zinc/02/66/40/1371026640.db2.gz XLNNGCONXPFHJP-ATZDWAIDSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1nccc1C[NH+]1C[C@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001206338172 1371026643 /nfs/dbraw/zinc/02/66/43/1371026643.db2.gz XLNNGCONXPFHJP-ATZDWAIDSA-N 2 1 344.528 3.214 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001206444545 1371056663 /nfs/dbraw/zinc/05/66/63/1371056663.db2.gz CPVMRDMBOMDWNX-UHFFFAOYSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)CCC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001206445953 1371057615 /nfs/dbraw/zinc/05/76/15/1371057615.db2.gz YHXPYYBXINDZNU-UHFFFAOYSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001206474332 1371065478 /nfs/dbraw/zinc/06/54/78/1371065478.db2.gz HYPFXMWRGAGUJI-UHFFFAOYSA-N 2 1 346.519 3.025 20 0 EGADMP CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206564979 1371094920 /nfs/dbraw/zinc/09/49/20/1371094920.db2.gz SCUBMPVLQSUFDO-GOSISDBHSA-N 2 1 338.879 3.468 20 0 EGADMP CCOC(=O)c1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206564979 1371094925 /nfs/dbraw/zinc/09/49/25/1371094925.db2.gz SCUBMPVLQSUFDO-GOSISDBHSA-N 2 1 338.879 3.468 20 0 EGADMP COc1cccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1OCC1CC1 ZINC001206583433 1371100460 /nfs/dbraw/zinc/10/04/60/1371100460.db2.gz UQHIPACMDVFHRU-FQEVSTJZSA-N 2 1 332.488 3.435 20 0 EGADMP COc1cccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1OCC1CC1 ZINC001206583433 1371100463 /nfs/dbraw/zinc/10/04/63/1371100463.db2.gz UQHIPACMDVFHRU-FQEVSTJZSA-N 2 1 332.488 3.435 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206623163 1371111600 /nfs/dbraw/zinc/11/16/00/1371111600.db2.gz JPLLABUCQVDQNP-OAHLLOKOSA-N 2 1 343.471 3.214 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)C1 ZINC001206622367 1371111638 /nfs/dbraw/zinc/11/16/38/1371111638.db2.gz AMTNMPUUWUFGKL-LLVKDONJSA-N 2 1 326.366 3.143 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc3ccc(Br)cc3[nH]2)C1 ZINC001206624605 1371111771 /nfs/dbraw/zinc/11/17/71/1371111771.db2.gz XBVMJBSBSCIBGX-LBPRGKRZSA-N 2 1 336.277 3.491 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206811456 1371176906 /nfs/dbraw/zinc/17/69/06/1371176906.db2.gz UURCMALTOUDBGW-LSDHHAIUSA-N 2 1 343.471 3.212 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206811456 1371176911 /nfs/dbraw/zinc/17/69/11/1371176911.db2.gz UURCMALTOUDBGW-LSDHHAIUSA-N 2 1 343.471 3.212 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001206890531 1371210040 /nfs/dbraw/zinc/21/00/40/1371210040.db2.gz WLWDKGFJUFKPJC-INIZCTEOSA-N 2 1 349.494 3.057 20 0 EGADMP c1[nH+]c(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n2ccccc12 ZINC001207054160 1371278368 /nfs/dbraw/zinc/27/83/68/1371278368.db2.gz HEQSBABYRNZTGZ-UXHICEINSA-N 2 1 346.478 3.288 20 0 EGADMP c1[nH+]c(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n2ccccc12 ZINC001207054160 1371278376 /nfs/dbraw/zinc/27/83/76/1371278376.db2.gz HEQSBABYRNZTGZ-UXHICEINSA-N 2 1 346.478 3.288 20 0 EGADMP CCN(Cc1[nH+]cc2ccccn21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001207057529 1371281158 /nfs/dbraw/zinc/28/11/58/1371281158.db2.gz OFEXMBWJWTUMCM-HXUWFJFHSA-N 2 1 334.467 3.431 20 0 EGADMP CCN(Cc1[nH+]cc2ccccn21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001207057529 1371281164 /nfs/dbraw/zinc/28/11/64/1371281164.db2.gz OFEXMBWJWTUMCM-HXUWFJFHSA-N 2 1 334.467 3.431 20 0 EGADMP C[N@H+](Cc1cccc(=O)[nH]1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207074115 1371286419 /nfs/dbraw/zinc/28/64/19/1371286419.db2.gz UYQKMOULLRJDLD-UHFFFAOYSA-N 2 1 325.456 3.131 20 0 EGADMP Cc1nccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)n1 ZINC001207163997 1371317091 /nfs/dbraw/zinc/31/70/91/1371317091.db2.gz OHUFWMZFBJMISP-UHFFFAOYSA-N 2 1 342.512 3.335 20 0 EGADMP Cc1nccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001207169353 1371317924 /nfs/dbraw/zinc/31/79/24/1371317924.db2.gz IZBFMICKAJYUGF-WOJBJXKFSA-N 2 1 336.483 3.129 20 0 EGADMP Cc1nccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001207169353 1371317926 /nfs/dbraw/zinc/31/79/26/1371317926.db2.gz IZBFMICKAJYUGF-WOJBJXKFSA-N 2 1 336.483 3.129 20 0 EGADMP Cc1nccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001207169353 1371317932 /nfs/dbraw/zinc/31/79/32/1371317932.db2.gz IZBFMICKAJYUGF-WOJBJXKFSA-N 2 1 336.483 3.129 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001207261203 1371343819 /nfs/dbraw/zinc/34/38/19/1371343819.db2.gz NAEYWSOSJUKDLR-GOSISDBHSA-N 2 1 336.520 3.306 20 0 EGADMP c1ccc(C[NH+]2CCC(CN3CC[N@H+]4CCCC[C@@H]4C3)CC2)cc1 ZINC001207291571 1371352573 /nfs/dbraw/zinc/35/25/73/1371352573.db2.gz TXTSBRHQNUZTMU-OAQYLSRUSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@@H+]3CCN4CCCC[C@@H]4C3)CC2)cc1 ZINC001207291571 1371352575 /nfs/dbraw/zinc/35/25/75/1371352575.db2.gz TXTSBRHQNUZTMU-OAQYLSRUSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCN4CCCC[C@@H]4C3)CC2)cc1 ZINC001207291571 1371352580 /nfs/dbraw/zinc/35/25/80/1371352580.db2.gz TXTSBRHQNUZTMU-OAQYLSRUSA-N 2 1 327.516 3.069 20 0 EGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC2(C1)OCCO2 ZINC001207294947 1371353865 /nfs/dbraw/zinc/35/38/65/1371353865.db2.gz WZGGDMJFRQYTIM-HXUWFJFHSA-N 2 1 344.499 3.126 20 0 EGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001207316041 1371357942 /nfs/dbraw/zinc/35/79/42/1371357942.db2.gz WMZUHAYGYRNTJK-QGZVFWFLSA-N 2 1 339.524 3.192 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001207316041 1371357944 /nfs/dbraw/zinc/35/79/44/1371357944.db2.gz WMZUHAYGYRNTJK-QGZVFWFLSA-N 2 1 339.524 3.192 20 0 EGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC001207346839 1371367486 /nfs/dbraw/zinc/36/74/86/1371367486.db2.gz CXIKOYHSSHAUTE-KRWDZBQOSA-N 2 1 330.463 3.387 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC001207346839 1371367491 /nfs/dbraw/zinc/36/74/91/1371367491.db2.gz CXIKOYHSSHAUTE-KRWDZBQOSA-N 2 1 330.463 3.387 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)CC1 ZINC001207480085 1371408535 /nfs/dbraw/zinc/40/85/35/1371408535.db2.gz UAQUGYGHFPGUNN-IBGZPJMESA-N 2 1 339.524 3.098 20 0 EGADMP CCOC(=O)[C@H]1C[N@@H+](CCC2CC[NH+](C)CC2)C[C@H]2CCCC[C@@H]12 ZINC001207482347 1371410248 /nfs/dbraw/zinc/41/02/48/1371410248.db2.gz USYPFVPVDAIMFX-QRVBRYPASA-N 2 1 336.520 3.020 20 0 EGADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207487636 1371411157 /nfs/dbraw/zinc/41/11/57/1371411157.db2.gz PBJZWLMSJXWOJF-UHFFFAOYSA-N 3 1 347.522 3.454 20 0 EGADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207487636 1371411159 /nfs/dbraw/zinc/41/11/59/1371411159.db2.gz PBJZWLMSJXWOJF-UHFFFAOYSA-N 2 1 347.522 3.454 20 0 EGADMP C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207488374 1371411733 /nfs/dbraw/zinc/41/17/33/1371411733.db2.gz JXZXYDPARCERGI-RDJZCZTQSA-N 2 1 339.524 3.096 20 0 EGADMP COc1cc2c(cc1C[N@H+]1C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C1)O[C@H](C)C2 ZINC001119988565 1371443689 /nfs/dbraw/zinc/44/36/89/1371443689.db2.gz KGOGBIKVSLYSIM-YEWFCNIMSA-N 2 1 344.499 3.181 20 0 EGADMP CCC/C=C\CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120010068 1371453475 /nfs/dbraw/zinc/45/34/75/1371453475.db2.gz KRASCEROWDKSBR-SFFCAUCYSA-N 2 1 349.563 3.483 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCC(C)(C)C)CCCCC2)C1 ZINC001120010703 1371454235 /nfs/dbraw/zinc/45/42/35/1371454235.db2.gz VDOFGPCFIPMWLR-KRWDZBQOSA-N 2 1 337.552 3.173 20 0 EGADMP Cn1cc(C[N@H+]2CCCC23CC[NH+](C[C@@H]2C[C@H]4C=C[C@@H]2C4)CC3)cn1 ZINC001207625658 1371457248 /nfs/dbraw/zinc/45/72/48/1371457248.db2.gz RXFXXGLMOASJMW-SXLOBPIMSA-N 2 1 340.515 3.063 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(C)C)C[C@H]1C)[NH+](C)C ZINC001207698296 1371478076 /nfs/dbraw/zinc/47/80/76/1371478076.db2.gz XMQWKOJZEYLGAO-NSISKUIASA-N 2 1 345.531 3.087 20 0 EGADMP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120129437 1371491330 /nfs/dbraw/zinc/49/13/30/1371491330.db2.gz HSEGPZZXGDKUPO-DUMMIQTOSA-N 2 1 335.536 3.093 20 0 EGADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc4nonc4c3)CC2)C1 ZINC001207745313 1371492399 /nfs/dbraw/zinc/49/23/99/1371492399.db2.gz MRLPJNDBXANONC-WMLDXEAASA-N 2 1 328.460 3.356 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120421659 1371568527 /nfs/dbraw/zinc/56/85/27/1371568527.db2.gz BCYMNCBBKOZILL-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120421656 1371568615 /nfs/dbraw/zinc/56/86/15/1371568615.db2.gz BCYMNCBBKOZILL-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431722 1371575813 /nfs/dbraw/zinc/57/58/13/1371575813.db2.gz WAPRNQUCJTWHKJ-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001120431722 1371575816 /nfs/dbraw/zinc/57/58/16/1371575816.db2.gz WAPRNQUCJTWHKJ-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001120431722 1371575818 /nfs/dbraw/zinc/57/58/18/1371575818.db2.gz WAPRNQUCJTWHKJ-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001208107082 1371597044 /nfs/dbraw/zinc/59/70/44/1371597044.db2.gz KFFFEBLAUKDLMC-NQIIRXRSSA-N 2 1 343.515 3.294 20 0 EGADMP C[NH+](C)CC1(C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)CCCC1 ZINC001208187181 1371627128 /nfs/dbraw/zinc/62/71/28/1371627128.db2.gz IIQRXFRNFRUBDA-UHFFFAOYSA-N 2 1 326.488 3.426 20 0 EGADMP C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326310955 1388149769 /nfs/dbraw/zinc/14/97/69/1388149769.db2.gz MNXZPOHFEVOYNA-MRXNPFEDSA-N 2 1 340.471 3.187 20 0 EGADMP C[N@@H+](C1CC1)C1CC[NH+](CC2(c3ccccc3)CCOCC2)CC1 ZINC001208235051 1371670700 /nfs/dbraw/zinc/67/07/00/1371670700.db2.gz WYLOULNAVDVPNW-UHFFFAOYSA-N 2 1 328.500 3.293 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001208279088 1371695769 /nfs/dbraw/zinc/69/57/69/1371695769.db2.gz HLRXUDCYWIQQMS-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001208448015 1371769900 /nfs/dbraw/zinc/76/99/00/1371769900.db2.gz TVCVDJKGWCQIFO-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCc3ncc(C(F)(F)F)cc3C2)CC1 ZINC001208597475 1371835353 /nfs/dbraw/zinc/83/53/53/1371835353.db2.gz HZFLNHCGOBNPSA-UHFFFAOYSA-N 2 1 327.394 3.190 20 0 EGADMP C[N@H+]1CCC[C@H](CN2CC[C@@]3(CCC[NH+]3Cc3ccccc3)C2)C1 ZINC001208617465 1371843998 /nfs/dbraw/zinc/84/39/98/1371843998.db2.gz PGGBWIMSRVKSEQ-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@H](CN2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001208617465 1371844003 /nfs/dbraw/zinc/84/40/03/1371844003.db2.gz PGGBWIMSRVKSEQ-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@H](CN2CC[C@@]3(CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001208617465 1371844008 /nfs/dbraw/zinc/84/40/08/1371844008.db2.gz PGGBWIMSRVKSEQ-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208645973 1371850262 /nfs/dbraw/zinc/85/02/62/1371850262.db2.gz ASMNLQGXDUOYBQ-IEBWSBKVSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001208645973 1371850266 /nfs/dbraw/zinc/85/02/66/1371850266.db2.gz ASMNLQGXDUOYBQ-IEBWSBKVSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001208645973 1371850273 /nfs/dbraw/zinc/85/02/73/1371850273.db2.gz ASMNLQGXDUOYBQ-IEBWSBKVSA-N 2 1 349.563 3.291 20 0 EGADMP COc1ccccc1CCC[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001208841128 1371913084 /nfs/dbraw/zinc/91/30/84/1371913084.db2.gz JCDOLXFFGFTZQL-UHFFFAOYSA-N 2 1 346.515 3.203 20 0 EGADMP COc1ccccc1CCC[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001208841128 1371913086 /nfs/dbraw/zinc/91/30/86/1371913086.db2.gz JCDOLXFFGFTZQL-UHFFFAOYSA-N 2 1 346.515 3.203 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001121294975 1371926089 /nfs/dbraw/zinc/92/60/89/1371926089.db2.gz KBZDMEROIQGAGS-SSBRDVDXSA-N 2 1 349.563 3.170 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](C[C@@H]1CCC=CO1)CC2 ZINC001208878464 1371929821 /nfs/dbraw/zinc/92/98/21/1371929821.db2.gz HQAJVYAZJNMFRX-MJGOQNOKSA-N 2 1 346.471 3.028 20 0 EGADMP c1ccc(C[N@H+]2CCOC3(CC[NH+](C[C@@H]4CCC=CO4)CC3)C2)cc1 ZINC001208885541 1371931883 /nfs/dbraw/zinc/93/18/83/1371931883.db2.gz UGXQFKCFCFYUDM-FQEVSTJZSA-N 2 1 342.483 3.046 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+]CCCC(C)C)C2 ZINC001121325731 1371937393 /nfs/dbraw/zinc/93/73/93/1371937393.db2.gz MQZSQUVKRQNCML-UHFFFAOYSA-N 2 1 337.552 3.170 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC[C@@]4(CCOC4)C3)C2)cc1 ZINC001208933032 1371952083 /nfs/dbraw/zinc/95/20/83/1371952083.db2.gz SUYNFAOUUVRYOK-LEWJYISDSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCC[C@@]4(CCOC4)C3)C2)cc1 ZINC001208933032 1371952085 /nfs/dbraw/zinc/95/20/85/1371952085.db2.gz SUYNFAOUUVRYOK-LEWJYISDSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCC[C@@]4(CCOC4)C3)C2)cc1 ZINC001208933032 1371952088 /nfs/dbraw/zinc/95/20/88/1371952088.db2.gz SUYNFAOUUVRYOK-LEWJYISDSA-N 2 1 328.500 3.401 20 0 EGADMP COC(=O)C1(C)CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208935424 1371952511 /nfs/dbraw/zinc/95/25/11/1371952511.db2.gz JDIRVXFKDWMTGS-IBGZPJMESA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)C[C@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939131 1371953286 /nfs/dbraw/zinc/95/32/86/1371953286.db2.gz FWLXHNAYFOYVJI-UXHICEINSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)C[C@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208939131 1371953289 /nfs/dbraw/zinc/95/32/89/1371953289.db2.gz FWLXHNAYFOYVJI-UXHICEINSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)C[C@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939131 1371953292 /nfs/dbraw/zinc/95/32/92/1371953292.db2.gz FWLXHNAYFOYVJI-UXHICEINSA-N 2 1 344.499 3.174 20 0 EGADMP C[N@H+]1CCN(C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001208945826 1371958461 /nfs/dbraw/zinc/95/84/61/1371958461.db2.gz DUSRJGQLDJFUKE-FYYLOGMGSA-N 2 1 349.522 3.497 20 0 EGADMP C[NH+]1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001208945826 1371958463 /nfs/dbraw/zinc/95/84/63/1371958463.db2.gz DUSRJGQLDJFUKE-FYYLOGMGSA-N 2 1 349.522 3.497 20 0 EGADMP C[NH+]1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001208945826 1371958465 /nfs/dbraw/zinc/95/84/65/1371958465.db2.gz DUSRJGQLDJFUKE-FYYLOGMGSA-N 2 1 349.522 3.497 20 0 EGADMP CCOC(=O)[C@]1(C)CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208954662 1371963036 /nfs/dbraw/zinc/96/30/36/1371963036.db2.gz WYWWUKBQWNBNOF-PZJWPPBQSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)[C@]1(C)CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208954662 1371963043 /nfs/dbraw/zinc/96/30/43/1371963043.db2.gz WYWWUKBQWNBNOF-PZJWPPBQSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)[C@]1(C)CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208954662 1371963045 /nfs/dbraw/zinc/96/30/45/1371963045.db2.gz WYWWUKBQWNBNOF-PZJWPPBQSA-N 2 1 344.499 3.174 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142614 1372013476 /nfs/dbraw/zinc/01/34/76/1372013476.db2.gz SUTKJLPNVLKNCS-GUDVDZBRSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209142614 1372013478 /nfs/dbraw/zinc/01/34/78/1372013478.db2.gz SUTKJLPNVLKNCS-GUDVDZBRSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209142614 1372013482 /nfs/dbraw/zinc/01/34/82/1372013482.db2.gz SUTKJLPNVLKNCS-GUDVDZBRSA-N 2 1 337.552 3.122 20 0 EGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](CCCCOCc1ccccc1)CC2 ZINC001209259314 1372052730 /nfs/dbraw/zinc/05/27/30/1372052730.db2.gz TXUVMMRTYRDBBM-UHFFFAOYSA-N 2 1 345.487 3.113 20 0 EGADMP COC1CCC(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)CC1 ZINC001209390604 1372087364 /nfs/dbraw/zinc/08/73/64/1372087364.db2.gz BZPMENOINGFWIX-MHJFOBGBSA-N 2 1 338.536 3.014 20 0 EGADMP COC1CCC(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)CC1 ZINC001209390604 1372087368 /nfs/dbraw/zinc/08/73/68/1372087368.db2.gz BZPMENOINGFWIX-MHJFOBGBSA-N 2 1 338.536 3.014 20 0 EGADMP COC1CCC(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)CC1 ZINC001209390604 1372087369 /nfs/dbraw/zinc/08/73/69/1372087369.db2.gz BZPMENOINGFWIX-MHJFOBGBSA-N 2 1 338.536 3.014 20 0 EGADMP COC1CCC(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)CC1 ZINC001209390604 1372087373 /nfs/dbraw/zinc/08/73/73/1372087373.db2.gz BZPMENOINGFWIX-MHJFOBGBSA-N 2 1 338.536 3.014 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001187857830 1388178853 /nfs/dbraw/zinc/17/88/53/1388178853.db2.gz SNSJIXBPFJLVMO-GBESFXJTSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001187857830 1388178856 /nfs/dbraw/zinc/17/88/56/1388178856.db2.gz SNSJIXBPFJLVMO-GBESFXJTSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001187857830 1388178860 /nfs/dbraw/zinc/17/88/60/1388178860.db2.gz SNSJIXBPFJLVMO-GBESFXJTSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@@H]1C[C@H]1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001209418076 1372100768 /nfs/dbraw/zinc/10/07/68/1372100768.db2.gz YADCTCCLUKKFKN-IXDOHACOSA-N 2 1 334.529 3.459 20 0 EGADMP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001121859356 1372105910 /nfs/dbraw/zinc/10/59/10/1372105910.db2.gz DMJABPMOMBTVQU-CGAYHSHTSA-N 2 1 349.563 3.312 20 0 EGADMP CC[C@H](C[N@@H+](C(C)C)C1CCN(C)CC1)NC(=O)OC(C)(C)C ZINC001209471780 1372114749 /nfs/dbraw/zinc/11/47/49/1372114749.db2.gz DADBVOOCIJNWPB-OAHLLOKOSA-N 2 1 327.513 3.094 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001121895620 1372116968 /nfs/dbraw/zinc/11/69/68/1372116968.db2.gz GDYDTUQSJQSUMW-JSMKSKOISA-N 2 1 347.547 3.211 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001209691392 1372171278 /nfs/dbraw/zinc/17/12/78/1372171278.db2.gz VGVICTUPQWSSKC-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)CCC)C2)C1 ZINC001122100924 1372174505 /nfs/dbraw/zinc/17/45/05/1372174505.db2.gz GIKFHZJPVKURBT-VOTSOKGWSA-N 2 1 335.536 3.092 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001210183260 1372289870 /nfs/dbraw/zinc/28/98/70/1372289870.db2.gz MLLCYTVDIMUIHY-HXUWFJFHSA-N 2 1 345.531 3.279 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1C ZINC001210235895 1372301032 /nfs/dbraw/zinc/30/10/32/1372301032.db2.gz GXASYTMEAQGQTD-KIUVSXKZSA-N 2 1 343.943 3.078 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210244527 1372303777 /nfs/dbraw/zinc/30/37/77/1372303777.db2.gz SYTZWYXPCLAIEV-RLLQIKCJSA-N 2 1 345.531 3.306 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210244527 1372303782 /nfs/dbraw/zinc/30/37/82/1372303782.db2.gz SYTZWYXPCLAIEV-RLLQIKCJSA-N 2 1 345.531 3.306 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210244527 1372303787 /nfs/dbraw/zinc/30/37/87/1372303787.db2.gz SYTZWYXPCLAIEV-RLLQIKCJSA-N 2 1 345.531 3.306 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210244527 1372303790 /nfs/dbraw/zinc/30/37/90/1372303790.db2.gz SYTZWYXPCLAIEV-RLLQIKCJSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)Oc1cccc(F)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210271622 1372311905 /nfs/dbraw/zinc/31/19/05/1372311905.db2.gz XBWJDZUFXONUGI-UHFFFAOYSA-N 2 1 330.407 3.161 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426497 1372350775 /nfs/dbraw/zinc/35/07/75/1372350775.db2.gz GTBKLFZQHMAYCR-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094752 1372484658 /nfs/dbraw/zinc/48/46/58/1372484658.db2.gz OUPZAPAFWJVRQH-NYQZOWANSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211269498 1372517416 /nfs/dbraw/zinc/51/74/16/1372517416.db2.gz RQZIMYHBYBUCTF-KPDZFXRVSA-N 2 1 343.515 3.226 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350056 1372538703 /nfs/dbraw/zinc/53/87/03/1372538703.db2.gz NKYZEZKNCFXIMH-QWFCFKBJSA-N 2 1 343.515 3.060 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211366851 1372541172 /nfs/dbraw/zinc/54/11/72/1372541172.db2.gz LZQQMSXHZLHYKF-PFRNKHFKSA-N 2 1 349.563 3.290 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001211366634 1372541208 /nfs/dbraw/zinc/54/12/08/1372541208.db2.gz HJXALKAGKLSAIC-KZNAEPCWSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001211366634 1372541211 /nfs/dbraw/zinc/54/12/11/1372541211.db2.gz HJXALKAGKLSAIC-KZNAEPCWSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001211366634 1372541215 /nfs/dbraw/zinc/54/12/15/1372541215.db2.gz HJXALKAGKLSAIC-KZNAEPCWSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211376682 1372543736 /nfs/dbraw/zinc/54/37/36/1372543736.db2.gz NRELSNLYINLVJB-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211377228 1372544962 /nfs/dbraw/zinc/54/49/62/1372544962.db2.gz SRPKPKFPUFBJNX-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CCCCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211702769 1372605788 /nfs/dbraw/zinc/60/57/88/1372605788.db2.gz CFWJJHWUVRQPPI-VQTJNVASSA-N 2 1 345.531 3.103 20 0 EGADMP COc1cc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)ccc1C ZINC001212144815 1372663886 /nfs/dbraw/zinc/66/38/86/1372663886.db2.gz DGBMGNOZDFGLPV-HNNXBMFYSA-N 2 1 332.448 3.222 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cccc(OC3CC3)c2)no1 ZINC001212145368 1372664289 /nfs/dbraw/zinc/66/42/89/1372664289.db2.gz QYAGBZZFUNRICK-KRWDZBQOSA-N 2 1 344.459 3.446 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001214597169 1373086910 /nfs/dbraw/zinc/08/69/10/1373086910.db2.gz FNYIYTKWHIAUHZ-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214611309 1373089606 /nfs/dbraw/zinc/08/96/06/1373089606.db2.gz ZGHNWMOOIOKVJP-MOZIWPGPSA-N 2 1 335.536 3.042 20 0 EGADMP O=C(NCC[NH2+]CCCC1CCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356869 1373118770 /nfs/dbraw/zinc/11/87/70/1373118770.db2.gz QIYGCUYBXZJHKN-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP Clc1cccc(-c2noc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)n2)c1 ZINC001326583684 1388247758 /nfs/dbraw/zinc/24/77/58/1388247758.db2.gz LXJWTJBKRRDXRE-UHFFFAOYSA-N 2 1 346.862 3.356 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1)c1ccccc1 ZINC001188145885 1388249739 /nfs/dbraw/zinc/24/97/39/1388249739.db2.gz PLYLTXAUSJGRHS-MOPGFXCFSA-N 2 1 345.531 3.306 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001130304106 1373488369 /nfs/dbraw/zinc/48/83/69/1373488369.db2.gz UIPINCHCVCNDEP-ABHNRTSZSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@@H]1C[C@H](OC[C@@]2(C)C[N@@H+](Cc3ccccc3)CC(C)(C)O2)CC[NH2+]1 ZINC001217791734 1373500329 /nfs/dbraw/zinc/50/03/29/1373500329.db2.gz PEWHSWYSEMYKAW-YFVAEKQCSA-N 2 1 346.515 3.213 20 0 EGADMP C[C@@H]1C[NH2+]CC[C@H]1OC[C@]1(C)C[N@@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217917315 1373512359 /nfs/dbraw/zinc/51/23/59/1373512359.db2.gz VUVZGZPIGDAGOA-QFUCXCTJSA-N 2 1 346.515 3.071 20 0 EGADMP C[NH+](C)Cc1cc(O[C@@H]2CC[C@]23CC[NH2+]C3)ccc1Br ZINC001218115186 1373563379 /nfs/dbraw/zinc/56/33/79/1373563379.db2.gz FPCDCCBNVUFIFP-HZPDHXFCSA-N 2 1 339.277 3.032 20 0 EGADMP C[C@@H](Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@H+](C)CC3)C1C[NH2+]C1 ZINC001218198600 1373577148 /nfs/dbraw/zinc/57/71/48/1373577148.db2.gz NTKWMZRGLGGYRR-BDRMCPCVSA-N 2 1 340.511 3.362 20 0 EGADMP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)c1ccc(F)cc1 ZINC001130709286 1373583434 /nfs/dbraw/zinc/58/34/34/1373583434.db2.gz ZKVNUGKCQHERED-MOPGFXCFSA-N 2 1 349.494 3.103 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848190 1373797397 /nfs/dbraw/zinc/79/73/97/1373797397.db2.gz DBTRSLZIMCIAEJ-WKOLEINNSA-N 2 1 347.547 3.138 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221848190 1373797398 /nfs/dbraw/zinc/79/73/98/1373797398.db2.gz DBTRSLZIMCIAEJ-WKOLEINNSA-N 2 1 347.547 3.138 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221848190 1373797400 /nfs/dbraw/zinc/79/74/00/1373797400.db2.gz DBTRSLZIMCIAEJ-WKOLEINNSA-N 2 1 347.547 3.138 20 0 EGADMP CCc1cccc(C[NH2+]CCNC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC001131815696 1373819684 /nfs/dbraw/zinc/81/96/84/1373819684.db2.gz PMRVDPNNDREHNP-UHFFFAOYSA-N 2 1 345.531 3.109 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC001131822334 1373824191 /nfs/dbraw/zinc/82/41/91/1373824191.db2.gz NIEOSYNNLJPXLE-QGZVFWFLSA-N 2 1 331.504 3.108 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224170458 1375059156 /nfs/dbraw/zinc/05/91/56/1375059156.db2.gz XXWJPHKDWOZSTH-UXHICEINSA-N 2 1 349.563 3.366 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCC1=CCCCC1 ZINC001132106792 1375151277 /nfs/dbraw/zinc/15/12/77/1375151277.db2.gz VKDWQEXYDWZUSW-IEBWSBKVSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCC1CCCCC1 ZINC001132106429 1375151909 /nfs/dbraw/zinc/15/19/09/1375151909.db2.gz UICKDXDBNRYLGX-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCC1CCCCC1 ZINC001132106429 1375151911 /nfs/dbraw/zinc/15/19/11/1375151911.db2.gz UICKDXDBNRYLGX-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCC1CCCCC1 ZINC001132106429 1375151915 /nfs/dbraw/zinc/15/19/15/1375151915.db2.gz UICKDXDBNRYLGX-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@H+]1CC1CC1 ZINC001132142144 1375168945 /nfs/dbraw/zinc/16/89/45/1375168945.db2.gz YAKGQLNNURHLGC-RDJZCZTQSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[NH+]1CC1CC1 ZINC001132142144 1375168948 /nfs/dbraw/zinc/16/89/48/1375168948.db2.gz YAKGQLNNURHLGC-RDJZCZTQSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[NH+]1CC1CC1 ZINC001132142144 1375168950 /nfs/dbraw/zinc/16/89/50/1375168950.db2.gz YAKGQLNNURHLGC-RDJZCZTQSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132204428 1375207825 /nfs/dbraw/zinc/20/78/25/1375207825.db2.gz WFOXPXOZWOJDGG-RTBURBONSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CC[N@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132211018 1375211331 /nfs/dbraw/zinc/21/13/31/1375211331.db2.gz KZACZZHGDLFKGI-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@H+]1CC1CCCC1 ZINC001132211292 1375211829 /nfs/dbraw/zinc/21/18/29/1375211829.db2.gz NYCFJARMSKLZTN-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CCC1=CCCCC1 ZINC001132268711 1375256263 /nfs/dbraw/zinc/25/62/63/1375256263.db2.gz AWLIFOIUIZMTDN-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132315780 1375292561 /nfs/dbraw/zinc/29/25/61/1375292561.db2.gz VRQVNHYHWINMDN-YZPMEYCISA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132315780 1375292566 /nfs/dbraw/zinc/29/25/66/1375292566.db2.gz VRQVNHYHWINMDN-YZPMEYCISA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132315780 1375292576 /nfs/dbraw/zinc/29/25/76/1375292576.db2.gz VRQVNHYHWINMDN-YZPMEYCISA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335835 1375316441 /nfs/dbraw/zinc/31/64/41/1375316441.db2.gz UYIFUYIICPTTOO-SJORKVTESA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335835 1375316445 /nfs/dbraw/zinc/31/64/45/1375316445.db2.gz UYIFUYIICPTTOO-SJORKVTESA-N 2 1 334.508 3.022 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001132376387 1375338483 /nfs/dbraw/zinc/33/84/83/1375338483.db2.gz MJVGISDMEHFHLL-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001132380233 1375341542 /nfs/dbraw/zinc/34/15/42/1375341542.db2.gz HDEPOSIDSLWTDM-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132410054 1375358807 /nfs/dbraw/zinc/35/88/07/1375358807.db2.gz JHTUQWWNVUJALR-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001132410054 1375358814 /nfs/dbraw/zinc/35/88/14/1375358814.db2.gz JHTUQWWNVUJALR-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001132410054 1375358820 /nfs/dbraw/zinc/35/88/20/1375358820.db2.gz JHTUQWWNVUJALR-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CC2)C1 ZINC001132420285 1375368357 /nfs/dbraw/zinc/36/83/57/1375368357.db2.gz PZJIRFJQJYPKMV-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CC1CC(C)(C)C1 ZINC001132434559 1375378200 /nfs/dbraw/zinc/37/82/00/1375378200.db2.gz YJUXQEGTWKDLKK-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CCC2CCCC2)C1 ZINC001132436790 1375380663 /nfs/dbraw/zinc/38/06/63/1375380663.db2.gz OHUWIUYYKSPYIK-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2CCCC2)C1 ZINC001132436790 1375380666 /nfs/dbraw/zinc/38/06/66/1375380666.db2.gz OHUWIUYYKSPYIK-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC2CCCC2)C1 ZINC001132436790 1375380670 /nfs/dbraw/zinc/38/06/70/1375380670.db2.gz OHUWIUYYKSPYIK-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cccc(CC)c2)C1 ZINC001132441886 1375387066 /nfs/dbraw/zinc/38/70/66/1375387066.db2.gz UYUGCZLIZCBYGF-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(CC)c2)C1 ZINC001132441886 1375387071 /nfs/dbraw/zinc/38/70/71/1375387071.db2.gz UYUGCZLIZCBYGF-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(CC)c2)C1 ZINC001132441886 1375387076 /nfs/dbraw/zinc/38/70/76/1375387076.db2.gz UYUGCZLIZCBYGF-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001227090916 1375388937 /nfs/dbraw/zinc/38/89/37/1375388937.db2.gz IDIJUIBXSOWECT-RTLRUIJZSA-N 2 1 335.536 3.234 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001227224438 1375408933 /nfs/dbraw/zinc/40/89/33/1375408933.db2.gz GMAWNXHUIALIFH-QRVBRYPASA-N 2 1 335.536 3.090 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CC1CC(C)(C)C1 ZINC001132517424 1375436470 /nfs/dbraw/zinc/43/64/70/1375436470.db2.gz CCQYMRLRVDCLQI-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548994 1375455346 /nfs/dbraw/zinc/45/53/46/1375455346.db2.gz MAICCVFXFOCNHR-RBUKOAKNSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001228039321 1375508563 /nfs/dbraw/zinc/50/85/63/1375508563.db2.gz GRNBGLLMUOCBEV-KRWDZBQOSA-N 2 1 345.531 3.367 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001132936897 1375656306 /nfs/dbraw/zinc/65/63/06/1375656306.db2.gz FEZCLTHVYWOCFE-HKUYNNGSSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@@H](c1cccc(OC[C@H]2C[N@H+](C)CCO2)c1)[C@@H](C)C[NH+](C)C ZINC001228897881 1375709238 /nfs/dbraw/zinc/70/92/38/1375709238.db2.gz YSGSFOPWKKMQKV-PWIZWCRZSA-N 2 1 334.504 3.087 20 0 EGADMP CC[C@@H](c1cccc(OC[C@H]2C[N@@H+](C)CCO2)c1)[C@@H](C)C[NH+](C)C ZINC001228897881 1375709241 /nfs/dbraw/zinc/70/92/41/1375709241.db2.gz YSGSFOPWKKMQKV-PWIZWCRZSA-N 2 1 334.504 3.087 20 0 EGADMP CCCC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133146954 1375807432 /nfs/dbraw/zinc/80/74/32/1375807432.db2.gz NYEHXBKVPJSWOR-MSOLQXFVSA-N 2 1 348.535 3.271 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCC)C1 ZINC001133185584 1375829686 /nfs/dbraw/zinc/82/96/86/1375829686.db2.gz FYETWNHDKRLPPO-OALUTQOASA-N 2 1 339.568 3.373 20 0 EGADMP CC/C=C/CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001229463163 1375840634 /nfs/dbraw/zinc/84/06/34/1375840634.db2.gz ZNMXMLNWGRGGLS-ZMBJWTFHSA-N 2 1 335.536 3.186 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001133262005 1375877162 /nfs/dbraw/zinc/87/71/62/1375877162.db2.gz FIBGKJNGGJCKOU-RTBURBONSA-N 2 1 339.568 3.373 20 0 EGADMP Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)CC2)c(C)c1 ZINC001327148614 1388406578 /nfs/dbraw/zinc/40/65/78/1388406578.db2.gz UQRRWOAGGJQWCC-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC001230107520 1375943632 /nfs/dbraw/zinc/94/36/32/1375943632.db2.gz JAQZILUZVHKKKU-MRXNPFEDSA-N 2 1 349.494 3.199 20 0 EGADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1)c1ccccc1 ZINC001230287171 1375986537 /nfs/dbraw/zinc/98/65/37/1375986537.db2.gz YIVVVZAZXDXVEG-AQNXPRMDSA-N 2 1 343.515 3.106 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001230597951 1376093196 /nfs/dbraw/zinc/09/31/96/1376093196.db2.gz ARLFVEDHJGFNQG-OYQYDDJWSA-N 2 1 349.563 3.386 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230598679 1376094056 /nfs/dbraw/zinc/09/40/56/1376094056.db2.gz WRTJLEGOEMFZNE-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)C[N@H+]2CCC(C)(C)C2)cc1 ZINC001133897079 1376255307 /nfs/dbraw/zinc/25/53/07/1376255307.db2.gz YEVXIYHUQWXUKB-QGZVFWFLSA-N 2 1 345.531 3.309 20 0 EGADMP C[N@@H+](CC(=O)NCC[NH2+]Cc1ccc2ccccc2c1)CC(C)(C)C ZINC001133908583 1376259578 /nfs/dbraw/zinc/25/95/78/1376259578.db2.gz XSOYFVDYOSYMDL-UHFFFAOYSA-N 2 1 341.499 3.024 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232361998 1376448761 /nfs/dbraw/zinc/44/87/61/1376448761.db2.gz IGSPCZAHUGEPJC-FQEVSTJZSA-N 2 1 338.499 3.417 20 0 EGADMP Nc1ccc(CN2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC001232369825 1376450807 /nfs/dbraw/zinc/45/08/07/1376450807.db2.gz OSSJBYUOPCKUGT-OAQYLSRUSA-N 2 1 336.483 3.152 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC1CCCCCC1 ZINC001134612337 1376624225 /nfs/dbraw/zinc/62/42/25/1376624225.db2.gz LEIGEVOBXJMBMW-SJORKVTESA-N 2 1 337.552 3.314 20 0 EGADMP CCc1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134773352 1376713190 /nfs/dbraw/zinc/71/31/90/1376713190.db2.gz NXTLMXYKRMIARZ-SJORKVTESA-N 2 1 347.547 3.352 20 0 EGADMP CN(c1ccc(C[N@@H+]2CCC3(C[NH2+]C3)C2)cc1)c1ccccc1F ZINC001235026682 1376830145 /nfs/dbraw/zinc/83/01/45/1376830145.db2.gz PSKJNKUHLROCFR-UHFFFAOYSA-N 2 1 325.431 3.389 20 0 EGADMP CN(c1ccc(C[N@H+]2CCC3(C[NH2+]C3)C2)cc1)c1ccccc1F ZINC001235026682 1376830148 /nfs/dbraw/zinc/83/01/48/1376830148.db2.gz PSKJNKUHLROCFR-UHFFFAOYSA-N 2 1 325.431 3.389 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C[C@@H]1CC[NH+]1CC1=CCCCC1 ZINC001235337600 1376868548 /nfs/dbraw/zinc/86/85/48/1376868548.db2.gz ULSOWMOZWUSWTK-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001235337600 1376868558 /nfs/dbraw/zinc/86/85/58/1376868558.db2.gz ULSOWMOZWUSWTK-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)C[C@@H]1CC[N@H+]1CC1=CCCCC1 ZINC001235337600 1376868562 /nfs/dbraw/zinc/86/85/62/1376868562.db2.gz ULSOWMOZWUSWTK-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP FC1(F)Oc2cccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2O1 ZINC001235429765 1376869643 /nfs/dbraw/zinc/86/96/43/1376869643.db2.gz ZMDNCCJXXLECTE-KGLIPLIRSA-N 2 1 338.398 3.220 20 0 EGADMP CCOC(=O)c1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235428816 1376869981 /nfs/dbraw/zinc/86/99/81/1376869981.db2.gz RFLXVEQPEROCFQ-DLBZAZTESA-N 2 1 330.472 3.075 20 0 EGADMP Brc1ccoc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427730 1376870644 /nfs/dbraw/zinc/87/06/44/1376870644.db2.gz NAUSVEUGKKBDMH-QWHCGFSZSA-N 2 1 327.266 3.254 20 0 EGADMP COc1ncc(C2CC2)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430901 1376871613 /nfs/dbraw/zinc/87/16/13/1376871613.db2.gz YKNUQYNDFFGUKH-SJORKVTESA-N 2 1 329.488 3.179 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1)[NH2+]C/C=C\Cl ZINC001135078126 1376882809 /nfs/dbraw/zinc/88/28/09/1376882809.db2.gz ZFRLSKBQBCYJFH-MOHXMTOJSA-N 2 1 343.943 3.266 20 0 EGADMP O=C(NCC[NH2+]CCC1CCCCCC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135102815 1376900635 /nfs/dbraw/zinc/90/06/35/1376900635.db2.gz OIJYYEVGMGTCAV-OALUTQOASA-N 2 1 335.536 3.070 20 0 EGADMP [NH3+]C1CN([C@@H]2CCC[N@@H+](Cc3ccc(F)c(-c4ccccc4)c3)C2)C1 ZINC001236076600 1376932012 /nfs/dbraw/zinc/93/20/12/1376932012.db2.gz CBYDSQQSLBYDPQ-LJQANCHMSA-N 2 1 339.458 3.100 20 0 EGADMP c1cc2n(c1C[N@@H+](Cc1ccccc1)C1CCSCC1)CC[NH2+]C2 ZINC001236271195 1376947866 /nfs/dbraw/zinc/94/78/66/1376947866.db2.gz ZCEMGTUFZHYBAP-UHFFFAOYSA-N 2 1 341.524 3.489 20 0 EGADMP c1ccc(-c2[nH]c3ccccc3c2C[N@H+]2CC[C@]3(C2)CNCCO3)cc1 ZINC001237140935 1376976480 /nfs/dbraw/zinc/97/64/80/1376976480.db2.gz CQFJAVBEPWOXNE-JOCHJYFZSA-N 2 1 347.462 3.399 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001135305055 1377028224 /nfs/dbraw/zinc/02/82/24/1377028224.db2.gz HBFFZUHDPAIZIR-AWEZNQCLSA-N 2 1 348.878 3.092 20 0 EGADMP c1ccc(OC2CCC([NH2+][C@H]3CCCC[C@@]34C[NH2+]CCO4)CC2)cc1 ZINC001246161540 1377050460 /nfs/dbraw/zinc/05/04/60/1377050460.db2.gz SJXPJUKWEZLOGZ-NLDTVIPQSA-N 2 1 344.499 3.267 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])N1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246546876 1377052697 /nfs/dbraw/zinc/05/26/97/1377052697.db2.gz NLELCFHLGLZAOF-RQUKQETFSA-N 2 1 327.516 3.384 20 0 EGADMP CC(C)[C@H]1C[C@H]([N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)CC[NH2+]1 ZINC001246728027 1377053257 /nfs/dbraw/zinc/05/32/57/1377053257.db2.gz JNUWRLHUFFZZPV-UAFMIMERSA-N 2 1 341.499 3.033 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1sccc1Cl ZINC001135436860 1377096690 /nfs/dbraw/zinc/09/66/90/1377096690.db2.gz CZELKHKXHYUIQB-UHFFFAOYSA-N 2 1 345.940 3.119 20 0 EGADMP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254509663 1377105553 /nfs/dbraw/zinc/10/55/53/1377105553.db2.gz PDFSKBTWZLXOTJ-XJKSGUPXSA-N 2 1 325.294 3.454 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477190 1377110547 /nfs/dbraw/zinc/11/05/47/1377110547.db2.gz SDJBUPMZSJAUFB-JKSUJKDBSA-N 2 1 325.541 3.027 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135481764 1377113984 /nfs/dbraw/zinc/11/39/84/1377113984.db2.gz WXMPTOXPNHJHCL-JKSUJKDBSA-N 2 1 339.568 3.273 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1=CCCCC1 ZINC001135583788 1377155068 /nfs/dbraw/zinc/15/50/68/1377155068.db2.gz FNJJRKMKRDYHNH-DLBZAZTESA-N 2 1 346.519 3.380 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCCC1 ZINC001135586069 1377155881 /nfs/dbraw/zinc/15/58/81/1377155881.db2.gz WFBVIGRSQBVMIX-HZPDHXFCSA-N 2 1 334.508 3.070 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CC1 ZINC001135600189 1377159039 /nfs/dbraw/zinc/15/90/39/1377159039.db2.gz ILNOMWLIWKMBAA-HZPDHXFCSA-N 2 1 334.508 3.070 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001135680339 1377182192 /nfs/dbraw/zinc/18/21/92/1377182192.db2.gz UVLUTLQTCHOPPY-IAGOWNOFSA-N 2 1 346.519 3.345 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC/C=C\c1ccccc1 ZINC001135861934 1377238633 /nfs/dbraw/zinc/23/86/33/1377238633.db2.gz ZGMVORFQTFANII-CLARTRLESA-N 2 1 345.531 3.305 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135861514 1377238735 /nfs/dbraw/zinc/23/87/35/1377238735.db2.gz RXZOHXPOOKNEQN-MSOLQXFVSA-N 2 1 333.520 3.018 20 0 EGADMP CCc1ccc(CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CC)cc1 ZINC001135861662 1377238737 /nfs/dbraw/zinc/23/87/37/1377238737.db2.gz VFRUPGFEKATBFU-MSOLQXFVSA-N 2 1 347.547 3.006 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCc1ccccc1 ZINC001135861859 1377238805 /nfs/dbraw/zinc/23/88/05/1377238805.db2.gz YIUVIMHLCQJOAX-OALUTQOASA-N 2 1 347.547 3.224 20 0 EGADMP Cc1ccc(C[NH+]2CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)cc1 ZINC001266240330 1377242224 /nfs/dbraw/zinc/24/22/24/1377242224.db2.gz SSVUABQJXGQOCX-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)cc1 ZINC001266240330 1377242231 /nfs/dbraw/zinc/24/22/31/1377242231.db2.gz SSVUABQJXGQOCX-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)cc1 ZINC001266240330 1377242235 /nfs/dbraw/zinc/24/22/35/1377242235.db2.gz SSVUABQJXGQOCX-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2c(C)cccc2C)C1 ZINC001266246087 1377244254 /nfs/dbraw/zinc/24/42/54/1377244254.db2.gz KTZAHZQHJCXDKC-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2c(C)cccc2C)C1 ZINC001266246087 1377244260 /nfs/dbraw/zinc/24/42/60/1377244260.db2.gz KTZAHZQHJCXDKC-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2c(C)cccc2C)C1 ZINC001266246087 1377244265 /nfs/dbraw/zinc/24/42/65/1377244265.db2.gz KTZAHZQHJCXDKC-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001135974610 1377283889 /nfs/dbraw/zinc/28/38/89/1377283889.db2.gz RWOPSVBCRSQZIH-MLQCUJFCSA-N 2 1 345.531 3.305 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC/C=C/c1ccccc1 ZINC001135980480 1377286445 /nfs/dbraw/zinc/28/64/45/1377286445.db2.gz OSUXOVBGURDKHG-RBAMYAFPSA-N 2 1 345.531 3.305 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001135979967 1377286587 /nfs/dbraw/zinc/28/65/87/1377286587.db2.gz KRDUXSRZNFPQHN-MOPGFXCFSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC[N@H+]1C1CCCC1)c1ccsc1 ZINC001136215241 1377365216 /nfs/dbraw/zinc/36/52/16/1377365216.db2.gz CFQYBUBMOBUCJE-MSOLQXFVSA-N 2 1 349.544 3.264 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cnc3cccc(C)n23)CC1 ZINC001137193715 1377494433 /nfs/dbraw/zinc/49/44/33/1377494433.db2.gz ATPHDHYPZGBHPY-UHFFFAOYSA-N 2 1 335.455 3.085 20 0 EGADMP C[C@@H](C[N@@H+](C)CCC1CCCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001268754344 1377525574 /nfs/dbraw/zinc/52/55/74/1377525574.db2.gz ZCGBYHBGKMNYTO-KRWDZBQOSA-N 2 1 349.563 3.125 20 0 EGADMP Clc1ncccc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001137419575 1377544877 /nfs/dbraw/zinc/54/48/77/1377544877.db2.gz BYTBHBFLRFZVCP-UHFFFAOYSA-N 2 1 337.895 3.059 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001269291522 1377547770 /nfs/dbraw/zinc/54/77/70/1377547770.db2.gz GPUGVTWRLYSEOE-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001269291522 1377547772 /nfs/dbraw/zinc/54/77/72/1377547772.db2.gz GPUGVTWRLYSEOE-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC001269291522 1377547773 /nfs/dbraw/zinc/54/77/73/1377547773.db2.gz GPUGVTWRLYSEOE-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc2ccccc2s1 ZINC001137684713 1377592051 /nfs/dbraw/zinc/59/20/51/1377592051.db2.gz ZRHDMVIZBKXVIX-ZWKOTPCHSA-N 2 1 329.513 3.112 20 0 EGADMP CN(CC[N@@H+](C)CC1CCCCC1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001272021192 1377654765 /nfs/dbraw/zinc/65/47/65/1377654765.db2.gz WXGKJSBRKYELMW-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(CN2CC[NH+](CC3CCCC3)CC2)cc1 ZINC001138547722 1377740033 /nfs/dbraw/zinc/74/00/33/1377740033.db2.gz RTVCSNSQMLYLTA-UHFFFAOYSA-N 2 1 338.499 3.489 20 0 EGADMP CCC(=O)N(C)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138550628 1377740930 /nfs/dbraw/zinc/74/09/30/1377740930.db2.gz ZYENOMMQQGSDDJ-UHFFFAOYSA-N 2 1 340.471 3.014 20 0 EGADMP C[N@H+](Cc1cccc(Oc2ncccn2)c1)CC1CC[NH+](C)CC1 ZINC001138621854 1377754859 /nfs/dbraw/zinc/75/48/59/1377754859.db2.gz BMJIGBGHNYKMPR-UHFFFAOYSA-N 2 1 326.444 3.043 20 0 EGADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001138683934 1377766509 /nfs/dbraw/zinc/76/65/09/1377766509.db2.gz ZLZHRJCYEUOGLR-UHFFFAOYSA-N 2 1 341.474 3.172 20 0 EGADMP Cc1c[nH]c(CN2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)n1 ZINC001138937234 1377804775 /nfs/dbraw/zinc/80/47/75/1377804775.db2.gz WRDRWQUCNNZMFH-UHFFFAOYSA-N 2 1 330.501 3.268 20 0 EGADMP Cc1c[nH]c(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)n1 ZINC001138937234 1377804779 /nfs/dbraw/zinc/80/47/79/1377804779.db2.gz WRDRWQUCNNZMFH-UHFFFAOYSA-N 2 1 330.501 3.268 20 0 EGADMP Cc1c[nH]c(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)n1 ZINC001138937234 1377804780 /nfs/dbraw/zinc/80/47/80/1377804780.db2.gz WRDRWQUCNNZMFH-UHFFFAOYSA-N 2 1 330.501 3.268 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc5nonc5c4)CC[C@@H]3C2)cc1 ZINC001139223354 1377856061 /nfs/dbraw/zinc/85/60/61/1377856061.db2.gz KTZIGFGJJMTSLX-RTBURBONSA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc5nonc5c4)CC[C@@H]3C2)cc1 ZINC001139223354 1377856063 /nfs/dbraw/zinc/85/60/63/1377856063.db2.gz KTZIGFGJJMTSLX-RTBURBONSA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc5nonc5c4)CC[C@@H]3C2)cc1 ZINC001139223354 1377856065 /nfs/dbraw/zinc/85/60/65/1377856065.db2.gz KTZIGFGJJMTSLX-RTBURBONSA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc5nonc5c4)CC[C@@H]3C2)cc1 ZINC001139223354 1377856067 /nfs/dbraw/zinc/85/60/67/1377856067.db2.gz KTZIGFGJJMTSLX-RTBURBONSA-N 2 1 348.450 3.177 20 0 EGADMP COc1ncc(Cl)cc1C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001139750106 1377946311 /nfs/dbraw/zinc/94/63/11/1377946311.db2.gz TYLTVUQDRMCSMG-UHFFFAOYSA-N 2 1 337.895 3.297 20 0 EGADMP Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001139841060 1377961027 /nfs/dbraw/zinc/96/10/27/1377961027.db2.gz ZSFYTLKWOZGGHE-UHFFFAOYSA-N 2 1 336.483 3.273 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC001140023649 1377991732 /nfs/dbraw/zinc/99/17/32/1377991732.db2.gz UHKOCARKKFLMCB-UHFFFAOYSA-N 2 1 344.459 3.137 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC001140023649 1377991733 /nfs/dbraw/zinc/99/17/33/1377991733.db2.gz UHKOCARKKFLMCB-UHFFFAOYSA-N 2 1 344.459 3.137 20 0 EGADMP CC(=O)N1CC[C@H]([N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C(C)C)C1 ZINC001140027623 1377992557 /nfs/dbraw/zinc/99/25/57/1377992557.db2.gz SKVWQRYTXVYYBR-IBGZPJMESA-N 2 1 340.471 3.012 20 0 EGADMP CC(=O)N1CC[C@H]([N@H+](Cc2ccccc2-n2cc[nH+]c2C)C(C)C)C1 ZINC001140027623 1377992561 /nfs/dbraw/zinc/99/25/61/1377992561.db2.gz SKVWQRYTXVYYBR-IBGZPJMESA-N 2 1 340.471 3.012 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(Cc3ccncn3)C[C@@H]21 ZINC001140343331 1378049998 /nfs/dbraw/zinc/04/99/98/1378049998.db2.gz DHTQUDNLSNXBIP-AYOQOUSVSA-N 2 1 342.512 3.271 20 0 EGADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccncn3)C[C@@H]21 ZINC001140343331 1378050001 /nfs/dbraw/zinc/05/00/01/1378050001.db2.gz DHTQUDNLSNXBIP-AYOQOUSVSA-N 2 1 342.512 3.271 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccncn3)C[C@@H]21 ZINC001140343331 1378050003 /nfs/dbraw/zinc/05/00/03/1378050003.db2.gz DHTQUDNLSNXBIP-AYOQOUSVSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccncn3)C[C@@H]21 ZINC001140343331 1378050006 /nfs/dbraw/zinc/05/00/06/1378050006.db2.gz DHTQUDNLSNXBIP-AYOQOUSVSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccncn3)C[C@@H]21 ZINC001140343331 1378050007 /nfs/dbraw/zinc/05/00/07/1378050007.db2.gz DHTQUDNLSNXBIP-AYOQOUSVSA-N 2 1 342.512 3.271 20 0 EGADMP OCc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001140684194 1378113833 /nfs/dbraw/zinc/11/38/33/1378113833.db2.gz GYTNPSNNDDPORA-OALUTQOASA-N 2 1 340.467 3.116 20 0 EGADMP OCc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001140684194 1378113838 /nfs/dbraw/zinc/11/38/38/1378113838.db2.gz GYTNPSNNDDPORA-OALUTQOASA-N 2 1 340.467 3.116 20 0 EGADMP OCc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001140684194 1378113840 /nfs/dbraw/zinc/11/38/40/1378113840.db2.gz GYTNPSNNDDPORA-OALUTQOASA-N 2 1 340.467 3.116 20 0 EGADMP FC(F)(F)CC[NH+]1CCC2(CCC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001275164338 1378136009 /nfs/dbraw/zinc/13/60/09/1378136009.db2.gz JRIQQOMMKZLDMG-UHFFFAOYSA-N 2 1 344.425 3.014 20 0 EGADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC2(C[C@H](OCC3CC3)CO2)CC1 ZINC001140801243 1378139146 /nfs/dbraw/zinc/13/91/46/1378139146.db2.gz IPTYYBBXHPVIHZ-KRWDZBQOSA-N 2 1 341.455 3.113 20 0 EGADMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2ccsc2c1 ZINC001275532459 1378141494 /nfs/dbraw/zinc/14/14/94/1378141494.db2.gz PDOTXGWMSICFBE-HDICACEKSA-N 2 1 329.513 3.112 20 0 EGADMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1cccc3c1CCCC3)C2 ZINC001275534120 1378141619 /nfs/dbraw/zinc/14/16/19/1378141619.db2.gz XEDJKTBOARQVHY-UHFFFAOYSA-N 2 1 341.543 3.025 20 0 EGADMP CCCC[C@H](CC)C[NH+]1CC2(C1)CC[NH+](Cc1nccnc1N)CC2 ZINC001275892296 1378161779 /nfs/dbraw/zinc/16/17/79/1378161779.db2.gz ROGSORFIOCHAGG-KRWDZBQOSA-N 2 1 345.535 3.173 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(CN2CC3(CC[N@H+]3C3CCCC3)C2)c1 ZINC001276576407 1378180271 /nfs/dbraw/zinc/18/02/71/1378180271.db2.gz CCQIEIAWQWURRG-UHFFFAOYSA-N 2 1 331.479 3.090 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@]2(C1)CCC[NH+](CCCC1CCC1)C2 ZINC001277473271 1378226571 /nfs/dbraw/zinc/22/65/71/1378226571.db2.gz BOBOTYRWXWCARF-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC001141284566 1378290909 /nfs/dbraw/zinc/29/09/09/1378290909.db2.gz DDPGOFBITHNPTK-UXHICEINSA-N 2 1 345.531 3.306 20 0 EGADMP C[N@H+](Cc1ccc(OC2CCOCC2)cc1)CC1CC[NH+](C)CC1 ZINC001141410780 1378320471 /nfs/dbraw/zinc/32/04/71/1378320471.db2.gz OFVQAJXWHQNQMW-UHFFFAOYSA-N 2 1 332.488 3.018 20 0 EGADMP CC[C@H]1CCC[N@H+]1Cc1[nH]c(C)c(C(=O)NCC[NH+](CC)CC)c1C ZINC001141572844 1378345256 /nfs/dbraw/zinc/34/52/56/1378345256.db2.gz AOMTVAGDMBZTQW-KRWDZBQOSA-N 2 1 348.535 3.078 20 0 EGADMP CC(C)CNC(=O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001327517145 1388545687 /nfs/dbraw/zinc/54/56/87/1388545687.db2.gz DVHZIPCTVNBURC-UYAOXDASSA-N 2 1 345.531 3.039 20 0 EGADMP CC(C)CNC(=O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001327517145 1388545690 /nfs/dbraw/zinc/54/56/90/1388545690.db2.gz DVHZIPCTVNBURC-UYAOXDASSA-N 2 1 345.531 3.039 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccc5n[nH]cc54)C[C@@H]3C2)cc1 ZINC001143090183 1378537271 /nfs/dbraw/zinc/53/72/71/1378537271.db2.gz MBNFGQBJQANYPQ-BGYRXZFFSA-N 2 1 346.478 3.435 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccc5n[nH]cc54)C[C@@H]3C2)cc1 ZINC001143090183 1378537279 /nfs/dbraw/zinc/53/72/79/1378537279.db2.gz MBNFGQBJQANYPQ-BGYRXZFFSA-N 2 1 346.478 3.435 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccc5n[nH]cc54)C[C@@H]3C2)cc1 ZINC001143090183 1378537284 /nfs/dbraw/zinc/53/72/84/1378537284.db2.gz MBNFGQBJQANYPQ-BGYRXZFFSA-N 2 1 346.478 3.435 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCCCC1)[NH+](C)C ZINC001282678221 1378550476 /nfs/dbraw/zinc/55/04/76/1378550476.db2.gz PQTPNIZFXQXNOY-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP COc1c(F)ccc(F)c1C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001144751397 1378768731 /nfs/dbraw/zinc/76/87/31/1378768731.db2.gz YBYZEWJOIAPPIM-UHFFFAOYSA-N 2 1 347.409 3.416 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CC1CCCC1)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706313 1378902685 /nfs/dbraw/zinc/90/26/85/1378902685.db2.gz CRKPSMQOBOGAOP-QZTJIDSGSA-N 2 1 345.531 3.182 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CC1CCCC1)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706313 1378902691 /nfs/dbraw/zinc/90/26/91/1378902691.db2.gz CRKPSMQOBOGAOP-QZTJIDSGSA-N 2 1 345.531 3.182 20 0 EGADMP CC/C=C\CC[N@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147717564 1379065170 /nfs/dbraw/zinc/06/51/70/1379065170.db2.gz ZRXXHQLNMKRDHG-SFFCAUCYSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C\CC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147717564 1379065172 /nfs/dbraw/zinc/06/51/72/1379065172.db2.gz ZRXXHQLNMKRDHG-SFFCAUCYSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C\CC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147717564 1379065176 /nfs/dbraw/zinc/06/51/76/1379065176.db2.gz ZRXXHQLNMKRDHG-SFFCAUCYSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC3(C2)CC[NH+](CCCC(C)C)C3)C1 ZINC001148124392 1379121116 /nfs/dbraw/zinc/12/11/16/1379121116.db2.gz CAIWNUPHFMXOCI-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC3(C2)CC[N@H+](CCCC(C)C)C3)C1 ZINC001148124392 1379121118 /nfs/dbraw/zinc/12/11/18/1379121118.db2.gz CAIWNUPHFMXOCI-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CCCC(C)C)C3)C1 ZINC001148124392 1379121120 /nfs/dbraw/zinc/12/11/20/1379121120.db2.gz CAIWNUPHFMXOCI-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001148833853 1379279610 /nfs/dbraw/zinc/27/96/10/1379279610.db2.gz NZUQGNHLJVSCFH-OVKVCFKUSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001148833853 1379279613 /nfs/dbraw/zinc/27/96/13/1379279613.db2.gz NZUQGNHLJVSCFH-OVKVCFKUSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001148833853 1379279615 /nfs/dbraw/zinc/27/96/15/1379279615.db2.gz NZUQGNHLJVSCFH-OVKVCFKUSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H](C(=O)N(CC[N@@H+](C)CC1CCCCC1)C(C)C)[NH+](C)C ZINC001284553244 1379960825 /nfs/dbraw/zinc/96/08/25/1379960825.db2.gz GOBQDLKHTZFEQK-SFHVURJKSA-N 2 1 325.541 3.076 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[NH2+]CCNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001153321029 1380055167 /nfs/dbraw/zinc/05/51/67/1380055167.db2.gz SLBXOARBKDHKSX-MOPGFXCFSA-N 2 1 345.531 3.041 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[NH2+]CCNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001153321029 1380055169 /nfs/dbraw/zinc/05/51/69/1380055169.db2.gz SLBXOARBKDHKSX-MOPGFXCFSA-N 2 1 345.531 3.041 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1=CCCCC1 ZINC001153728231 1380119394 /nfs/dbraw/zinc/11/93/94/1380119394.db2.gz KMOLYPLEGLODNL-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC1=CCCCC1 ZINC001153728231 1380119395 /nfs/dbraw/zinc/11/93/95/1380119395.db2.gz KMOLYPLEGLODNL-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC1=CCCCC1 ZINC001153728231 1380119396 /nfs/dbraw/zinc/11/93/96/1380119396.db2.gz KMOLYPLEGLODNL-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828942 1380139099 /nfs/dbraw/zinc/13/90/99/1380139099.db2.gz UNEIXKGDOFSDGA-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153851119 1380144436 /nfs/dbraw/zinc/14/44/36/1380144436.db2.gz TWGRIRGGNQOVDH-GOSISDBHSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153851119 1380144437 /nfs/dbraw/zinc/14/44/37/1380144437.db2.gz TWGRIRGGNQOVDH-GOSISDBHSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153851119 1380144439 /nfs/dbraw/zinc/14/44/39/1380144439.db2.gz TWGRIRGGNQOVDH-GOSISDBHSA-N 2 1 345.531 3.114 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930491 1380157297 /nfs/dbraw/zinc/15/72/97/1380157297.db2.gz MVQUWCVGNHBFKN-ZHJNCLIFSA-N 2 1 325.541 3.146 20 0 EGADMP CCCc1ccc(C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC001154000721 1380174995 /nfs/dbraw/zinc/17/49/95/1380174995.db2.gz HYQICHUWXYYKPL-YLJYHZDGSA-N 2 1 347.547 3.306 20 0 EGADMP CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154123393 1380213064 /nfs/dbraw/zinc/21/30/64/1380213064.db2.gz XZGLFOLCAVSURS-QUCCMNQESA-N 2 1 345.531 3.134 20 0 EGADMP CC[NH+](Cc1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001154123393 1380213066 /nfs/dbraw/zinc/21/30/66/1380213066.db2.gz XZGLFOLCAVSURS-QUCCMNQESA-N 2 1 345.531 3.134 20 0 EGADMP CC[NH+](Cc1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001154123393 1380213069 /nfs/dbraw/zinc/21/30/69/1380213069.db2.gz XZGLFOLCAVSURS-QUCCMNQESA-N 2 1 345.531 3.134 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167559 1380219942 /nfs/dbraw/zinc/21/99/42/1380219942.db2.gz KQPALSCAWITLFQ-LKGOPFMKSA-N 2 1 335.536 3.188 20 0 EGADMP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001154344724 1380260904 /nfs/dbraw/zinc/26/09/04/1380260904.db2.gz LQFUFDBJOOTDEZ-QGZVFWFLSA-N 2 1 348.535 3.169 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001154344724 1380260905 /nfs/dbraw/zinc/26/09/05/1380260905.db2.gz LQFUFDBJOOTDEZ-QGZVFWFLSA-N 2 1 348.535 3.169 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154480627 1380285626 /nfs/dbraw/zinc/28/56/26/1380285626.db2.gz AXSFJGRSFFGEIS-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154480687 1380285761 /nfs/dbraw/zinc/28/57/61/1380285761.db2.gz DTPXMXBURMJERM-QGZVFWFLSA-N 2 1 345.531 3.031 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844313 1380362887 /nfs/dbraw/zinc/36/28/87/1380362887.db2.gz AWJGDYYMOOFMHB-YHROWNBBSA-N 2 1 337.552 3.290 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001154844313 1380362890 /nfs/dbraw/zinc/36/28/90/1380362890.db2.gz AWJGDYYMOOFMHB-YHROWNBBSA-N 2 1 337.552 3.290 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001154844313 1380362893 /nfs/dbraw/zinc/36/28/93/1380362893.db2.gz AWJGDYYMOOFMHB-YHROWNBBSA-N 2 1 337.552 3.290 20 0 EGADMP CCCc1ccc(C[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+](C)C)cc1 ZINC001154904172 1380374550 /nfs/dbraw/zinc/37/45/50/1380374550.db2.gz NLPNIYMGMSIMDK-GOSISDBHSA-N 2 1 347.547 3.308 20 0 EGADMP CC[N@@H+](CCCc1ccc(C)cc1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904204 1380374692 /nfs/dbraw/zinc/37/46/92/1380374692.db2.gz PEQGBZLJFZIORB-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP [NH3+][C@H]1CCC[C@H](Nc2[nH+]cnc3c2ccn3Cc2cccc(F)c2)C1 ZINC001154986609 1380385560 /nfs/dbraw/zinc/38/55/60/1380385560.db2.gz UBJFCXWFRSDXPO-HOTGVXAUSA-N 2 1 339.418 3.301 20 0 EGADMP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066693 1380401570 /nfs/dbraw/zinc/40/15/70/1380401570.db2.gz NHONLDFSYQDQBJ-IEBWSBKVSA-N 2 1 339.568 3.370 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1C)[NH+](CC)CC ZINC001155174591 1380419612 /nfs/dbraw/zinc/41/96/12/1380419612.db2.gz GLQFEODXWZQZGO-UYAOXDASSA-N 2 1 347.547 3.442 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc2ccccc2o1)[NH+](C)C ZINC001155288903 1380433689 /nfs/dbraw/zinc/43/36/89/1380433689.db2.gz FVIXGTPKBSJFPW-QAPCUYQASA-N 2 1 345.487 3.100 20 0 EGADMP CCCc1ccc(C[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CC)cc1 ZINC001156194877 1380539844 /nfs/dbraw/zinc/53/98/44/1380539844.db2.gz ZYKOAIHKDUOTFZ-GOSISDBHSA-N 2 1 347.547 3.308 20 0 EGADMP CCCc1ccc(C[NH+](CC)[C@H](C)CNC(=O)CC[N@H+](C)CC)cc1 ZINC001156194877 1380539845 /nfs/dbraw/zinc/53/98/45/1380539845.db2.gz ZYKOAIHKDUOTFZ-GOSISDBHSA-N 2 1 347.547 3.308 20 0 EGADMP CCCc1ccc(C[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)CC)cc1 ZINC001156194877 1380539846 /nfs/dbraw/zinc/53/98/46/1380539846.db2.gz ZYKOAIHKDUOTFZ-GOSISDBHSA-N 2 1 347.547 3.308 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC(C)C ZINC001156306919 1380555065 /nfs/dbraw/zinc/55/50/65/1380555065.db2.gz WPNXLKNFZDGWLV-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC(C)C ZINC001156306919 1380555066 /nfs/dbraw/zinc/55/50/66/1380555066.db2.gz WPNXLKNFZDGWLV-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC(C)C ZINC001156306919 1380555067 /nfs/dbraw/zinc/55/50/67/1380555067.db2.gz WPNXLKNFZDGWLV-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CC1CCC1)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001156318486 1380557660 /nfs/dbraw/zinc/55/76/60/1380557660.db2.gz BYFJDYYKVZTAQI-YLJYHZDGSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC1CCC1)c1ccccc1 ZINC001156318486 1380557662 /nfs/dbraw/zinc/55/76/62/1380557662.db2.gz BYFJDYYKVZTAQI-YLJYHZDGSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC1)c1ccccc1 ZINC001156318486 1380557664 /nfs/dbraw/zinc/55/76/64/1380557664.db2.gz BYFJDYYKVZTAQI-YLJYHZDGSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001156342266 1380562299 /nfs/dbraw/zinc/56/22/99/1380562299.db2.gz XRNKVSLJMPHXTK-DYESRHJHSA-N 2 1 345.531 3.090 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CCCCc1ccccc1 ZINC001156530038 1380588831 /nfs/dbraw/zinc/58/88/31/1380588831.db2.gz IHRVGSYYYVLTHN-LJQANCHMSA-N 2 1 347.547 3.178 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CCCCc1ccccc1 ZINC001156530038 1380588833 /nfs/dbraw/zinc/58/88/33/1380588833.db2.gz IHRVGSYYYVLTHN-LJQANCHMSA-N 2 1 347.547 3.178 20 0 EGADMP CC[N@@H+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156889672 1380719222 /nfs/dbraw/zinc/71/92/22/1380719222.db2.gz BSLYNULWPMTUHH-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CC[NH+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156889672 1380719224 /nfs/dbraw/zinc/71/92/24/1380719224.db2.gz BSLYNULWPMTUHH-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CC[NH+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156889672 1380719226 /nfs/dbraw/zinc/71/92/26/1380719226.db2.gz BSLYNULWPMTUHH-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109686 1380777496 /nfs/dbraw/zinc/77/74/96/1380777496.db2.gz RASZYGIVHNBKAI-AMQGLKLZSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001157109686 1380777500 /nfs/dbraw/zinc/77/75/00/1380777500.db2.gz RASZYGIVHNBKAI-AMQGLKLZSA-N 2 1 337.552 3.434 20 0 EGADMP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157132453 1380783386 /nfs/dbraw/zinc/78/33/86/1380783386.db2.gz HTIKNWFHCKELEM-YLJYHZDGSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157132453 1380783389 /nfs/dbraw/zinc/78/33/89/1380783389.db2.gz HTIKNWFHCKELEM-YLJYHZDGSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001158059444 1381115652 /nfs/dbraw/zinc/11/56/52/1381115652.db2.gz BAZXEEPVZBDPRO-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001158059444 1381115656 /nfs/dbraw/zinc/11/56/56/1381115656.db2.gz BAZXEEPVZBDPRO-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001158059444 1381115663 /nfs/dbraw/zinc/11/56/63/1381115663.db2.gz BAZXEEPVZBDPRO-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP COCCn1ccc2c1nc[nH+]c2N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001158263475 1381177774 /nfs/dbraw/zinc/17/77/74/1381177774.db2.gz DHSLJVSQERDWJV-KUHUBIRLSA-N 2 1 345.491 3.033 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC=C(C)C)C1 ZINC001158398543 1381230816 /nfs/dbraw/zinc/23/08/16/1381230816.db2.gz XBRHFYMEJQHFSB-WOJBJXKFSA-N 2 1 349.563 3.388 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC=C(C)C)C1 ZINC001158398543 1381230821 /nfs/dbraw/zinc/23/08/21/1381230821.db2.gz XBRHFYMEJQHFSB-WOJBJXKFSA-N 2 1 349.563 3.388 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC=C(C)C)C1 ZINC001158398543 1381230831 /nfs/dbraw/zinc/23/08/31/1381230831.db2.gz XBRHFYMEJQHFSB-WOJBJXKFSA-N 2 1 349.563 3.388 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC2CCC(C)(C)CC2)CC[N@H+]1C ZINC001158404183 1381231842 /nfs/dbraw/zinc/23/18/42/1381231842.db2.gz RKUFBNMPRCUTMS-ZWKOTPCHSA-N 2 1 337.552 3.029 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC1CCC1 ZINC001158446369 1381248320 /nfs/dbraw/zinc/24/83/20/1381248320.db2.gz XEVRCVAWUIXKKL-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC1CCC1)[NH+](C)C ZINC001158487238 1381264200 /nfs/dbraw/zinc/26/42/00/1381264200.db2.gz XZEROAZGHGGURI-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CC1)[NH+]1CCCCCC1 ZINC001158550252 1381294316 /nfs/dbraw/zinc/29/43/16/1381294316.db2.gz UDTJLUPQWVEXQY-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001328282163 1388712950 /nfs/dbraw/zinc/71/29/50/1388712950.db2.gz YBYKWANFJZFLCT-MJGOQNOKSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001328282163 1388712953 /nfs/dbraw/zinc/71/29/53/1388712953.db2.gz YBYKWANFJZFLCT-MJGOQNOKSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001328282163 1388712955 /nfs/dbraw/zinc/71/29/55/1388712955.db2.gz YBYKWANFJZFLCT-MJGOQNOKSA-N 2 1 345.531 3.134 20 0 EGADMP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158751592 1381382527 /nfs/dbraw/zinc/38/25/27/1381382527.db2.gz ZLEGMTANUFHENZ-KJYWSYJISA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001158751592 1381382533 /nfs/dbraw/zinc/38/25/33/1381382533.db2.gz ZLEGMTANUFHENZ-KJYWSYJISA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001158751592 1381382537 /nfs/dbraw/zinc/38/25/37/1381382537.db2.gz ZLEGMTANUFHENZ-KJYWSYJISA-N 2 1 349.563 3.388 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)C[C@@H](C)CC ZINC001158781775 1381396794 /nfs/dbraw/zinc/39/67/94/1381396794.db2.gz RRWIXEFZPVBWGU-ZWKOTPCHSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@@H](C)CC ZINC001158781775 1381396797 /nfs/dbraw/zinc/39/67/97/1381396797.db2.gz RRWIXEFZPVBWGU-ZWKOTPCHSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)C[C@@H](C)CC ZINC001158781775 1381396804 /nfs/dbraw/zinc/39/68/04/1381396804.db2.gz RRWIXEFZPVBWGU-ZWKOTPCHSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001158914002 1381461101 /nfs/dbraw/zinc/46/11/01/1381461101.db2.gz JBUIOLHDQFARSW-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC001159838222 1381916848 /nfs/dbraw/zinc/91/68/48/1381916848.db2.gz JVPSSWXQWRSEQS-ICSRJNTNSA-N 2 1 345.531 3.130 20 0 EGADMP Clc1cc(Nc2cc[nH+]c3ccccc23)ccc1N1CC[NH2+]CC1 ZINC001159858643 1381922381 /nfs/dbraw/zinc/92/23/81/1381922381.db2.gz KKSIXXIIRZYOOD-UHFFFAOYSA-N 2 1 338.842 3.463 20 0 EGADMP Cc1cc(Nc2c(F)cccc2OCC2CC[NH2+]CC2)c[nH+]c1N ZINC001160161661 1382020627 /nfs/dbraw/zinc/02/06/27/1382020627.db2.gz CFSLLEBESPYPOH-UHFFFAOYSA-N 2 1 330.407 3.233 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+](CCC(C)(C)C)CC2)CC[N@H+]1C ZINC001160169440 1382023566 /nfs/dbraw/zinc/02/35/66/1382023566.db2.gz RMVSYFXADCVPOY-RBUKOAKNSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@H+](CCC(C)(C)C)CC2)CC[NH+]1C ZINC001160169440 1382023570 /nfs/dbraw/zinc/02/35/70/1382023570.db2.gz RMVSYFXADCVPOY-RBUKOAKNSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@@H+](CCC(C)(C)C)CC2)CC[NH+]1C ZINC001160169440 1382023576 /nfs/dbraw/zinc/02/35/76/1382023576.db2.gz RMVSYFXADCVPOY-RBUKOAKNSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](C[C@H](C)CC)CC1 ZINC001160285203 1382060799 /nfs/dbraw/zinc/06/07/99/1382060799.db2.gz DWHARUZBTQDTKU-MJGOQNOKSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](C[C@H](C)CC)CC1 ZINC001160285203 1382060806 /nfs/dbraw/zinc/06/08/06/1382060806.db2.gz DWHARUZBTQDTKU-MJGOQNOKSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](C[C@H](C)CC)CC1 ZINC001160285203 1382060810 /nfs/dbraw/zinc/06/08/10/1382060810.db2.gz DWHARUZBTQDTKU-MJGOQNOKSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](C[C@H](C)CC)CC1 ZINC001160285201 1382060960 /nfs/dbraw/zinc/06/09/60/1382060960.db2.gz DWHARUZBTQDTKU-IEBWSBKVSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](C[C@H](C)CC)CC1 ZINC001160285201 1382060965 /nfs/dbraw/zinc/06/09/65/1382060965.db2.gz DWHARUZBTQDTKU-IEBWSBKVSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](C[C@H](C)CC)CC1 ZINC001160285201 1382060972 /nfs/dbraw/zinc/06/09/72/1382060972.db2.gz DWHARUZBTQDTKU-IEBWSBKVSA-N 2 1 335.536 3.045 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160359934 1382082471 /nfs/dbraw/zinc/08/24/71/1382082471.db2.gz GOJPOKCGQGCZBD-HXUWFJFHSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001160359934 1382082475 /nfs/dbraw/zinc/08/24/75/1382082475.db2.gz GOJPOKCGQGCZBD-HXUWFJFHSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001160359934 1382082480 /nfs/dbraw/zinc/08/24/80/1382082480.db2.gz GOJPOKCGQGCZBD-HXUWFJFHSA-N 2 1 347.547 3.332 20 0 EGADMP C[N@@H+](CC(=O)NCCC1=CC[NH+](CC2CCCCC2)CC1)C1CCC1 ZINC001160386272 1382090340 /nfs/dbraw/zinc/09/03/40/1382090340.db2.gz QNFGYZAHJZOQDE-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+](CC(=O)NCCC1=CC[N@H+](CC2CCCCC2)CC1)C1CCC1 ZINC001160386272 1382090346 /nfs/dbraw/zinc/09/03/46/1382090346.db2.gz QNFGYZAHJZOQDE-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+](CC(=O)NCCC1=CC[N@@H+](CC2CCCCC2)CC1)C1CCC1 ZINC001160386272 1382090351 /nfs/dbraw/zinc/09/03/51/1382090351.db2.gz QNFGYZAHJZOQDE-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160400199 1382094322 /nfs/dbraw/zinc/09/43/22/1382094322.db2.gz LENQWZUPHFKRHE-IEBWSBKVSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001160400199 1382094331 /nfs/dbraw/zinc/09/43/31/1382094331.db2.gz LENQWZUPHFKRHE-IEBWSBKVSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001160400199 1382094333 /nfs/dbraw/zinc/09/43/33/1382094333.db2.gz LENQWZUPHFKRHE-IEBWSBKVSA-N 2 1 335.536 3.045 20 0 EGADMP O=C(NCCC[NH2+]CC1CCC2(CC2)CC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001160870270 1382220131 /nfs/dbraw/zinc/22/01/31/1382220131.db2.gz WVHDZNMQJLEWEX-RBUKOAKNSA-N 2 1 347.547 3.070 20 0 EGADMP C[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CCC2CCCCCC2)CC1 ZINC001161107090 1382299740 /nfs/dbraw/zinc/29/97/40/1382299740.db2.gz YECYWIXYFWMPAP-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001161227334 1382349138 /nfs/dbraw/zinc/34/91/38/1382349138.db2.gz ZJOYWXIRLGQLCO-QGZVFWFLSA-N 2 1 333.520 3.191 20 0 EGADMP CC[C@@H](C(=O)NCCC1=CC[N@@H+](CCC2=CCCCC2)CC1)[NH+](C)C ZINC001161240265 1382351976 /nfs/dbraw/zinc/35/19/76/1382351976.db2.gz QTEQYKJSWKCKPM-FQEVSTJZSA-N 2 1 347.547 3.356 20 0 EGADMP C[N@@H+](CCC(=O)N(CC(C)(C)C)C1CC[NH2+]CC1)Cc1ccccc1 ZINC001161258506 1382355262 /nfs/dbraw/zinc/35/52/62/1382355262.db2.gz MMFLHDKUNYOQOM-UHFFFAOYSA-N 2 1 345.531 3.135 20 0 EGADMP CCCCC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001161356291 1382381264 /nfs/dbraw/zinc/38/12/64/1382381264.db2.gz JBXAXAOQAKNMQA-UHFFFAOYSA-N 2 1 346.519 3.335 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001161356291 1382381268 /nfs/dbraw/zinc/38/12/68/1382381268.db2.gz JBXAXAOQAKNMQA-UHFFFAOYSA-N 2 1 346.519 3.335 20 0 EGADMP C[C@@H](C(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC001161383202 1382391901 /nfs/dbraw/zinc/39/19/01/1382391901.db2.gz MABGRVYZUNVIOP-SFHVURJKSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NCCC1=CC[N@@H+](CC=C(C)C)CC1)C(C)C ZINC001161492451 1382421810 /nfs/dbraw/zinc/42/18/10/1382421810.db2.gz XBUCDRSPQYTAPW-HXUWFJFHSA-N 2 1 349.563 3.457 20 0 EGADMP CC[NH+](CC)CC(=O)NCCC1=CC[N@@H+](CC2CCCCCC2)CC1 ZINC001161504368 1382424949 /nfs/dbraw/zinc/42/49/49/1382424949.db2.gz JSJSGWYBVHVCPU-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CC(C)(C)CN(c1nc(N2CCCC2)cc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161677356 1382478118 /nfs/dbraw/zinc/47/81/18/1382478118.db2.gz LJMYPYUCEYQARO-WKILWMFISA-N 2 1 331.508 3.199 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](CCCC(C)C)CC1 ZINC001161750081 1382495044 /nfs/dbraw/zinc/49/50/44/1382495044.db2.gz VYPKDAKLCNJJPJ-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CCC[NH+](C)CCC(=O)NCCC1=CC[N@H+](CCCC(C)C)CC1 ZINC001161750081 1382495048 /nfs/dbraw/zinc/49/50/48/1382495048.db2.gz VYPKDAKLCNJJPJ-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CCC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CCCC(C)C)CC1 ZINC001161750081 1382495050 /nfs/dbraw/zinc/49/50/50/1382495050.db2.gz VYPKDAKLCNJJPJ-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CC(C)(C)CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161879558 1382537667 /nfs/dbraw/zinc/53/76/67/1382537667.db2.gz OQXKHUYXYSWPFE-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161924813 1382554392 /nfs/dbraw/zinc/55/43/92/1382554392.db2.gz MAHJIJDHZFOXEE-CQQBRXBZSA-N 2 1 347.547 3.354 20 0 EGADMP CC(C)C[N@H+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161946970 1382565433 /nfs/dbraw/zinc/56/54/33/1382565433.db2.gz OSZYKKJXBTZYLC-FQEVSTJZSA-N 2 1 343.515 3.084 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161946970 1382565436 /nfs/dbraw/zinc/56/54/36/1382565436.db2.gz OSZYKKJXBTZYLC-FQEVSTJZSA-N 2 1 343.515 3.084 20 0 EGADMP [NH3+]CCN(c1cc(N2CCOCC2)cc[nH+]1)c1cccc2ccccc21 ZINC001162005127 1382596441 /nfs/dbraw/zinc/59/64/41/1382596441.db2.gz WIEQKTFBHHPPGA-UHFFFAOYSA-N 2 1 348.450 3.168 20 0 EGADMP CC(C)C[C@H](CO)Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001162368095 1382741027 /nfs/dbraw/zinc/74/10/27/1382741027.db2.gz CGBRNIAORCLHIS-IAGOWNOFSA-N 2 1 330.476 3.170 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](Nc2nccc3c2CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001162392532 1382746060 /nfs/dbraw/zinc/74/60/60/1382746060.db2.gz GRNLDBZGAQJWIB-MOPGFXCFSA-N 2 1 336.483 3.322 20 0 EGADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001162454926 1382761032 /nfs/dbraw/zinc/76/10/32/1382761032.db2.gz BLXSLURWZMRBTG-ZIAGYGMSSA-N 2 1 334.464 3.476 20 0 EGADMP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NC[C@H]1CCCC[C@@H]1C ZINC001162524712 1382781151 /nfs/dbraw/zinc/78/11/51/1382781151.db2.gz OLEAWKOWCUPKTF-WMLDXEAASA-N 2 1 331.508 3.198 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC[NH2+]C[C@H](C)CC)CCc1ccccc1 ZINC001162987683 1382938933 /nfs/dbraw/zinc/93/89/33/1382938933.db2.gz UDUFOAFPTQXGQC-LJQANCHMSA-N 2 1 347.547 3.035 20 0 EGADMP Cc1cc([NH+]2CCCCC2)ccc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163334024 1383024453 /nfs/dbraw/zinc/02/44/53/1383024453.db2.gz UCSYOTHUJIEOHA-XLIONFOSSA-N 2 1 329.488 3.308 20 0 EGADMP CC(C)N(CCC[NH3+])c1nccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164121232 1383158352 /nfs/dbraw/zinc/15/83/52/1383158352.db2.gz HOKKAUYYGQNVLU-UHFFFAOYSA-N 2 1 338.499 3.204 20 0 EGADMP CC(C)N(CCC[NH3+])c1[nH+]cnc2c1ccn2Cc1ccccc1F ZINC001164122305 1383158483 /nfs/dbraw/zinc/15/84/83/1383158483.db2.gz DHDLEEMVCDKDOM-UHFFFAOYSA-N 2 1 341.434 3.182 20 0 EGADMP C[NH+](C)C1(CNc2ccc(F)c(OC(F)(F)F)c2)CC[NH+](C)CC1 ZINC001164212888 1383166720 /nfs/dbraw/zinc/16/67/20/1383166720.db2.gz IZNQPRSEFOJJTP-UHFFFAOYSA-N 2 1 349.372 3.162 20 0 EGADMP Clc1ccc(OCCCNc2[nH+]cccc2N2CC[NH2+]CC2)cc1 ZINC001164234684 1383169656 /nfs/dbraw/zinc/16/96/56/1383169656.db2.gz BWYBTUZNHQAGRI-UHFFFAOYSA-N 2 1 346.862 3.026 20 0 EGADMP O=C(NCCC[NH2+]Cc1ccsc1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164501112 1383193953 /nfs/dbraw/zinc/19/39/53/1383193953.db2.gz SFYINYCWCGKTNT-GOSISDBHSA-N 2 1 349.544 3.141 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001164513637 1383195061 /nfs/dbraw/zinc/19/50/61/1383195061.db2.gz HDFNPCUHYAXNNG-KRWDZBQOSA-N 2 1 337.552 3.172 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC001164577916 1383201302 /nfs/dbraw/zinc/20/13/02/1383201302.db2.gz WYXOOZWHMKJINV-IEZWGBDMSA-N 2 1 349.494 3.103 20 0 EGADMP CC(C)(C)[NH+]1CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC1 ZINC001165090719 1383227121 /nfs/dbraw/zinc/22/71/21/1383227121.db2.gz CZKMVJDSXJUMMC-UHFFFAOYSA-N 2 1 336.911 3.251 20 0 EGADMP [NH3+]C1([C@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)C[C@H]2CF)CC1 ZINC001165434225 1383296158 /nfs/dbraw/zinc/29/61/58/1383296158.db2.gz PWSSQPMXWKDOFB-CJNGLKHVSA-N 2 1 343.450 3.060 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001165472096 1383300217 /nfs/dbraw/zinc/30/02/17/1383300217.db2.gz GWXYYTMMILOWCU-LJQANCHMSA-N 2 1 349.563 3.316 20 0 EGADMP CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165485126 1383300889 /nfs/dbraw/zinc/30/08/89/1383300889.db2.gz MRAYCMKYHOZQGI-PKOBYXMFSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001165569027 1383311976 /nfs/dbraw/zinc/31/19/76/1383311976.db2.gz PMYNUTMRFKJXTI-IBGZPJMESA-N 2 1 347.547 3.237 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001328763752 1388848021 /nfs/dbraw/zinc/84/80/21/1388848021.db2.gz FYNJFYMVNIEJLG-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC1(C[NH2+]CC2CCC(C)CC2)CC1 ZINC001167224911 1383570220 /nfs/dbraw/zinc/57/02/20/1383570220.db2.gz NGMWTZMYPHAAIQ-JLAWEPINSA-N 2 1 349.563 3.173 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001167236040 1383571993 /nfs/dbraw/zinc/57/19/93/1383571993.db2.gz GKTVUUBFJKWYCO-IEBWSBKVSA-N 2 1 349.563 3.031 20 0 EGADMP Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC001167443109 1383635674 /nfs/dbraw/zinc/63/56/74/1383635674.db2.gz MRMCBZAFPDKGNS-SFHVURJKSA-N 2 1 347.478 3.413 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001167458428 1383637884 /nfs/dbraw/zinc/63/78/84/1383637884.db2.gz FCOYLQUZLGASSI-SNAWJCMRSA-N 2 1 346.519 3.204 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]C[C@H](F)CC)CC1 ZINC001167470977 1383643644 /nfs/dbraw/zinc/64/36/44/1383643644.db2.gz MJEOQSZMXWDVJW-QGZVFWFLSA-N 2 1 343.531 3.123 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001167641091 1383696567 /nfs/dbraw/zinc/69/65/67/1383696567.db2.gz TZYIRWRVDIZLEO-INIZCTEOSA-N 2 1 349.494 3.105 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167685709 1383710035 /nfs/dbraw/zinc/71/00/35/1383710035.db2.gz JXXYNYZACIOHEC-GVDBMIGSSA-N 2 1 339.524 3.048 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167685709 1383710038 /nfs/dbraw/zinc/71/00/38/1383710038.db2.gz JXXYNYZACIOHEC-GVDBMIGSSA-N 2 1 339.524 3.048 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167685709 1383710041 /nfs/dbraw/zinc/71/00/41/1383710041.db2.gz JXXYNYZACIOHEC-GVDBMIGSSA-N 2 1 339.524 3.048 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001167823756 1383749418 /nfs/dbraw/zinc/74/94/18/1383749418.db2.gz MEFZXATUOVOWKN-SESVDKBCSA-N 2 1 344.547 3.241 20 0 EGADMP CCOCc1ncn2c1C[N@H+]([C@H](C)CCC[NH+](CC)CC)CCC2 ZINC001167826320 1383750156 /nfs/dbraw/zinc/75/01/56/1383750156.db2.gz WXUIBPXAIKWZBP-QGZVFWFLSA-N 2 1 336.524 3.136 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001167825227 1383750322 /nfs/dbraw/zinc/75/03/22/1383750322.db2.gz ICQIWPGRXDWAMX-IAGOWNOFSA-N 2 1 341.540 3.344 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCCCN2C(C)=O)C1 ZINC001167826277 1383750466 /nfs/dbraw/zinc/75/04/66/1383750466.db2.gz OERVITYREVPKJQ-QUCCMNQESA-N 2 1 337.552 3.364 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC001167827443 1383751138 /nfs/dbraw/zinc/75/11/38/1383751138.db2.gz WCWDDDLBUARIGH-IRXDYDNUSA-N 2 1 341.540 3.486 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](Oc2ccc(OC)cn2)C1 ZINC001167835561 1383753900 /nfs/dbraw/zinc/75/39/00/1383753900.db2.gz RHHVYZRVNRUCBS-WMZOPIPTSA-N 2 1 335.492 3.054 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC001167838185 1383756122 /nfs/dbraw/zinc/75/61/22/1383756122.db2.gz RIRNVPNQPJCZMP-APWZRJJASA-N 2 1 332.488 3.097 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC001167838185 1383756124 /nfs/dbraw/zinc/75/61/24/1383756124.db2.gz RIRNVPNQPJCZMP-APWZRJJASA-N 2 1 332.488 3.097 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC001167841969 1383756603 /nfs/dbraw/zinc/75/66/03/1383756603.db2.gz VGTOAHDMWWIXDL-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP O[C@@H]1CCc2ccccc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167967142 1383781305 /nfs/dbraw/zinc/78/13/05/1383781305.db2.gz DMTTWYBDWUANHO-ACLUHKAVSA-N 2 1 326.484 3.030 20 0 EGADMP O[C@@H]1CCc2ccccc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967142 1383781311 /nfs/dbraw/zinc/78/13/11/1383781311.db2.gz DMTTWYBDWUANHO-ACLUHKAVSA-N 2 1 326.484 3.030 20 0 EGADMP COC(=O)C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CCCCC1 ZINC001167973072 1383782104 /nfs/dbraw/zinc/78/21/04/1383782104.db2.gz FKGCFWNIAAWFSZ-RAFMOHDBSA-N 2 1 348.531 3.493 20 0 EGADMP CCC(CC)C(=O)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167974328 1383783448 /nfs/dbraw/zinc/78/34/48/1383783448.db2.gz WJWFSUGFZLBFHA-XUBOLADHSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)(C)OC(=O)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995599 1383792194 /nfs/dbraw/zinc/79/21/94/1383792194.db2.gz KLAXZDCSIZANBJ-DFNIBXOVSA-N 2 1 348.531 3.446 20 0 EGADMP CC(C)(C)OC(=O)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995599 1383792196 /nfs/dbraw/zinc/79/21/96/1383792196.db2.gz KLAXZDCSIZANBJ-DFNIBXOVSA-N 2 1 348.531 3.446 20 0 EGADMP C[C@@H]1CC(NC[C@H]2CCC[N@@H+](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168009771 1383796172 /nfs/dbraw/zinc/79/61/72/1383796172.db2.gz IBRWFXNIONSBMX-QWFCFKBJSA-N 2 1 329.532 3.359 20 0 EGADMP CCOC(=O)C1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168011769 1383797209 /nfs/dbraw/zinc/79/72/09/1383797209.db2.gz SDJPYVWYHBCYPF-IZZQQSIFSA-N 2 1 344.499 3.361 20 0 EGADMP C[C@@H]1C[C@@H](n2cc3c(n2)CC[C@H]([NH3+])C3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018282 1383797859 /nfs/dbraw/zinc/79/78/59/1383797859.db2.gz CMJWHMKXCBZHGQ-JSJNYSNDSA-N 2 1 338.499 3.313 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168019373 1383798742 /nfs/dbraw/zinc/79/87/42/1383798742.db2.gz IKKBJQNYJAQYGH-FTEYMNFISA-N 2 1 338.499 3.439 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccncc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168035046 1383801266 /nfs/dbraw/zinc/80/12/66/1383801266.db2.gz SIRIOWDSXZRLDZ-HRQSHJORSA-N 2 1 339.483 3.146 20 0 EGADMP COC(=O)[C@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039484 1383802165 /nfs/dbraw/zinc/80/21/65/1383802165.db2.gz FQKPOYAOKJNQEM-HNJRGHQBSA-N 2 1 344.499 3.313 20 0 EGADMP COC(=O)[C@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039484 1383802166 /nfs/dbraw/zinc/80/21/66/1383802166.db2.gz FQKPOYAOKJNQEM-HNJRGHQBSA-N 2 1 344.499 3.313 20 0 EGADMP COC(=O)[C@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039484 1383802171 /nfs/dbraw/zinc/80/21/71/1383802171.db2.gz FQKPOYAOKJNQEM-HNJRGHQBSA-N 2 1 344.499 3.313 20 0 EGADMP Cc1nc(CC[N@@H+](C)C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC001168046966 1383804851 /nfs/dbraw/zinc/80/48/51/1383804851.db2.gz PSPIQKWRPNSCAM-HOTGVXAUSA-N 2 1 342.487 3.294 20 0 EGADMP Cc1nc(CC[N@H+](C)C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC001168046966 1383804856 /nfs/dbraw/zinc/80/48/56/1383804856.db2.gz PSPIQKWRPNSCAM-HOTGVXAUSA-N 2 1 342.487 3.294 20 0 EGADMP C[C@@H]1CC(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064216 1383807913 /nfs/dbraw/zinc/80/79/13/1383807913.db2.gz OYZWTCHJWFLZEE-LFGUQSLTSA-N 2 1 327.516 3.206 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCCCC3)C1)C2 ZINC001168252923 1383854147 /nfs/dbraw/zinc/85/41/47/1383854147.db2.gz ULBLUUHURFBCNO-PMACEKPBSA-N 2 1 328.500 3.407 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCCCC3)C1)C2 ZINC001168252923 1383854150 /nfs/dbraw/zinc/85/41/50/1383854150.db2.gz ULBLUUHURFBCNO-PMACEKPBSA-N 2 1 328.500 3.407 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001168291439 1383865286 /nfs/dbraw/zinc/86/52/86/1383865286.db2.gz XIHBVGYGCOEFCM-CALCHBBNSA-N 2 1 337.552 3.172 20 0 EGADMP C[NH+](C)C1CCC([N@@H+](C)CCc2cccc(C(F)(F)F)n2)CC1 ZINC001168316328 1383871162 /nfs/dbraw/zinc/87/11/62/1383871162.db2.gz XVAOXEFTRXBISY-UHFFFAOYSA-N 2 1 329.410 3.448 20 0 EGADMP COc1ccccc1[C@H](O)C[N@@H+](C(C)C)C1CCC([NH+](C)C)CC1 ZINC001168327876 1383874432 /nfs/dbraw/zinc/87/44/32/1383874432.db2.gz RTKHXXDAJCXBOH-FAFZWHIHSA-N 2 1 334.504 3.312 20 0 EGADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2C2CCC([NH+](C)C)CC2)c1 ZINC001168329707 1383875541 /nfs/dbraw/zinc/87/55/41/1383875541.db2.gz DLLMYXZYXCHYCC-ACBHZAAOSA-N 2 1 330.472 3.483 20 0 EGADMP CN(C1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001168394551 1383895372 /nfs/dbraw/zinc/89/53/72/1383895372.db2.gz BQVWYGNJUBBRCJ-QFIPXVFZSA-N 2 1 341.543 3.457 20 0 EGADMP Fc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001168413003 1383900635 /nfs/dbraw/zinc/90/06/35/1383900635.db2.gz VHEVNKXPNYHHRI-CZYKHXBRSA-N 2 1 336.454 3.403 20 0 EGADMP Fc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001168413003 1383900639 /nfs/dbraw/zinc/90/06/39/1383900639.db2.gz VHEVNKXPNYHHRI-CZYKHXBRSA-N 2 1 336.454 3.403 20 0 EGADMP COc1ccc([C@@H]2C[C@H]([N@@H+](C)CCC[NH+]3CCCC3)CCO2)cc1 ZINC001168654851 1383959660 /nfs/dbraw/zinc/95/96/60/1383959660.db2.gz WJDRPTPRJCCFNR-QUCCMNQESA-N 2 1 332.488 3.333 20 0 EGADMP [NH3+]C1CCN(c2nc(NCCc3ccc4ccccc4c3)cc[nH+]2)CC1 ZINC001168729052 1383982352 /nfs/dbraw/zinc/98/23/52/1383982352.db2.gz ZSFZYGRVEMUHDG-UHFFFAOYSA-N 2 1 347.466 3.212 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(F)c(Br)c1)C2 ZINC001169078374 1384104026 /nfs/dbraw/zinc/10/40/26/1384104026.db2.gz DPQOOWIEIXLXAL-XYYAHUGASA-N 2 1 327.241 3.303 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(F)c(Br)c1)C2 ZINC001169078374 1384104028 /nfs/dbraw/zinc/10/40/28/1384104028.db2.gz DPQOOWIEIXLXAL-XYYAHUGASA-N 2 1 327.241 3.303 20 0 EGADMP CC(C)C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)NC(=O)OC(C)(C)C ZINC001169108693 1384108137 /nfs/dbraw/zinc/10/81/37/1384108137.db2.gz VPYBDEAPGDXIDB-LUKYLMHMSA-N 2 1 339.524 3.141 20 0 EGADMP COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Br ZINC001169108989 1384108277 /nfs/dbraw/zinc/10/82/77/1384108277.db2.gz XNNHVKQZAZGMQV-BTTYYORXSA-N 2 1 339.277 3.173 20 0 EGADMP COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Br ZINC001169108989 1384108279 /nfs/dbraw/zinc/10/82/79/1384108279.db2.gz XNNHVKQZAZGMQV-BTTYYORXSA-N 2 1 339.277 3.173 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH3+])(Cc3ccc(Cl)cc3)CC1)C2 ZINC001169117880 1384109014 /nfs/dbraw/zinc/10/90/14/1384109014.db2.gz BEOIHXSLNNJNFJ-REPLKXPHSA-N 2 1 347.934 3.301 20 0 EGADMP COc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1Br ZINC001169124991 1384110307 /nfs/dbraw/zinc/11/03/07/1384110307.db2.gz VUWMEYJZWLXKOR-BTTYYORXSA-N 2 1 339.277 3.173 20 0 EGADMP COc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Br ZINC001169124991 1384110309 /nfs/dbraw/zinc/11/03/09/1384110309.db2.gz VUWMEYJZWLXKOR-BTTYYORXSA-N 2 1 339.277 3.173 20 0 EGADMP COc1ccc([C@@H]2CSCC[N@@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169142731 1384113554 /nfs/dbraw/zinc/11/35/54/1384113554.db2.gz UWMDIKWLKBFAIF-ZMMAXQRCSA-N 2 1 332.513 3.410 20 0 EGADMP COc1ccc([C@@H]2CSCC[N@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169142731 1384113556 /nfs/dbraw/zinc/11/35/56/1384113556.db2.gz UWMDIKWLKBFAIF-ZMMAXQRCSA-N 2 1 332.513 3.410 20 0 EGADMP COc1ccc([C@@H]2CSCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169142731 1384113557 /nfs/dbraw/zinc/11/35/57/1384113557.db2.gz UWMDIKWLKBFAIF-ZMMAXQRCSA-N 2 1 332.513 3.410 20 0 EGADMP COc1ccc([C@@H]2CSCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169142731 1384113561 /nfs/dbraw/zinc/11/35/61/1384113561.db2.gz UWMDIKWLKBFAIF-ZMMAXQRCSA-N 2 1 332.513 3.410 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC3(CN(Cc4ccccc4)C3)C1)C2 ZINC001169152238 1384115873 /nfs/dbraw/zinc/11/58/73/1384115873.db2.gz AAFUAYKMUNSCRM-WKCHPHFGSA-N 2 1 339.527 3.210 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC3(CN(Cc4ccccc4)C3)C1)C2 ZINC001169152238 1384115874 /nfs/dbraw/zinc/11/58/74/1384115874.db2.gz AAFUAYKMUNSCRM-WKCHPHFGSA-N 2 1 339.527 3.210 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC3(CN(Cc4ccccc4)C3)C1)C2 ZINC001169152238 1384115876 /nfs/dbraw/zinc/11/58/76/1384115876.db2.gz AAFUAYKMUNSCRM-WKCHPHFGSA-N 2 1 339.527 3.210 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCCC3(C[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169152238 1384115878 /nfs/dbraw/zinc/11/58/78/1384115878.db2.gz AAFUAYKMUNSCRM-WKCHPHFGSA-N 2 1 339.527 3.210 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCCC3(C[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169152238 1384115879 /nfs/dbraw/zinc/11/58/79/1384115879.db2.gz AAFUAYKMUNSCRM-WKCHPHFGSA-N 2 1 339.527 3.210 20 0 EGADMP COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155762 1384116839 /nfs/dbraw/zinc/11/68/39/1384116839.db2.gz UMSIKKWGURYVIK-OQIJWPOYSA-N 2 1 330.472 3.065 20 0 EGADMP COC(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155762 1384116840 /nfs/dbraw/zinc/11/68/40/1384116840.db2.gz UMSIKKWGURYVIK-OQIJWPOYSA-N 2 1 330.472 3.065 20 0 EGADMP COC(=O)C[C@@H](C)[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169155762 1384116841 /nfs/dbraw/zinc/11/68/41/1384116841.db2.gz UMSIKKWGURYVIK-OQIJWPOYSA-N 2 1 330.472 3.065 20 0 EGADMP COC(=O)C[C@@H](C)[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169155762 1384116843 /nfs/dbraw/zinc/11/68/43/1384116843.db2.gz UMSIKKWGURYVIK-OQIJWPOYSA-N 2 1 330.472 3.065 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc(Cl)c1OC ZINC001308291865 1384116991 /nfs/dbraw/zinc/11/69/91/1384116991.db2.gz FSNPGUPIZXLSEI-KGLIPLIRSA-N 2 1 326.868 3.320 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169160016 1384117222 /nfs/dbraw/zinc/11/72/22/1384117222.db2.gz AEXGEMIEMAQCGE-QLIIJSOBSA-N 2 1 331.479 3.130 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169160016 1384117223 /nfs/dbraw/zinc/11/72/23/1384117223.db2.gz AEXGEMIEMAQCGE-QLIIJSOBSA-N 2 1 331.479 3.130 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCC1(C[NH+](C)C)CCCC1 ZINC001308365120 1384121979 /nfs/dbraw/zinc/12/19/79/1384121979.db2.gz CAWBSVUCRNRBNO-AZUAARDMSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC001308365120 1384121981 /nfs/dbraw/zinc/12/19/81/1384121981.db2.gz CAWBSVUCRNRBNO-AZUAARDMSA-N 2 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC([N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001169262182 1384128958 /nfs/dbraw/zinc/12/89/58/1384128958.db2.gz VTEHYJQIRKBAFD-JQHSSLGASA-N 2 1 336.520 3.446 20 0 EGADMP CC[NH+]1CCC([N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001169262182 1384128962 /nfs/dbraw/zinc/12/89/62/1384128962.db2.gz VTEHYJQIRKBAFD-JQHSSLGASA-N 2 1 336.520 3.446 20 0 EGADMP CCOC(=O)C1(C)CC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001308897325 1384157396 /nfs/dbraw/zinc/15/73/96/1384157396.db2.gz JJHSZCBHEAEVJI-SAIHOINMSA-N 2 1 344.499 3.076 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2nonc2c1 ZINC001308897946 1384157612 /nfs/dbraw/zinc/15/76/12/1384157612.db2.gz QZGTWQCPUQOQSK-MAUKXSAKSA-N 2 1 336.439 3.081 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001169542431 1384157678 /nfs/dbraw/zinc/15/76/78/1384157678.db2.gz VTXWNSQLKHHJAU-LMMKCTJWSA-N 2 1 345.531 3.180 20 0 EGADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)C1 ZINC001170138895 1384245829 /nfs/dbraw/zinc/24/58/29/1384245829.db2.gz SOBLJEYXLAXJKZ-JFHUYLGKSA-N 2 1 342.531 3.247 20 0 EGADMP C[C@@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)C1 ZINC001170138895 1384245831 /nfs/dbraw/zinc/24/58/31/1384245831.db2.gz SOBLJEYXLAXJKZ-JFHUYLGKSA-N 2 1 342.531 3.247 20 0 EGADMP C[C@@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)C1 ZINC001170138895 1384245835 /nfs/dbraw/zinc/24/58/35/1384245835.db2.gz SOBLJEYXLAXJKZ-JFHUYLGKSA-N 2 1 342.531 3.247 20 0 EGADMP CN(C)c1cc[nH+]c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001170330932 1384293124 /nfs/dbraw/zinc/29/31/24/1384293124.db2.gz XYVPWMCYLNQZCX-NNZMDNLPSA-N 2 1 337.471 3.150 20 0 EGADMP CN(C)c1cc[nH+]c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001170330932 1384293126 /nfs/dbraw/zinc/29/31/26/1384293126.db2.gz XYVPWMCYLNQZCX-NNZMDNLPSA-N 2 1 337.471 3.150 20 0 EGADMP CC[C@@H]1C[C@@H]([NH2+]C(C)(C)C[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170461769 1384324731 /nfs/dbraw/zinc/32/47/31/1384324731.db2.gz WBTLIOZUEOYUNI-QKDCVEJESA-N 2 1 327.513 3.270 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)C1 ZINC001170540863 1384337342 /nfs/dbraw/zinc/33/73/42/1384337342.db2.gz UXXRYHIEJWEQPS-RSPOEFSDSA-N 2 1 344.499 3.076 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CC2(CCC2)C1 ZINC001170784009 1384384501 /nfs/dbraw/zinc/38/45/01/1384384501.db2.gz CAAKBCLOLGZCIS-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH2+]CCC1CCCC1)c1ccccc1 ZINC001170867362 1384401387 /nfs/dbraw/zinc/40/13/87/1384401387.db2.gz FGGOKZAIOSUCGC-HXUWFJFHSA-N 2 1 345.531 3.356 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170868818 1384401824 /nfs/dbraw/zinc/40/18/24/1384401824.db2.gz NOCNUVPLZNMQQE-DQYPLSBCSA-N 2 1 337.305 3.236 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170868818 1384401825 /nfs/dbraw/zinc/40/18/25/1384401825.db2.gz NOCNUVPLZNMQQE-DQYPLSBCSA-N 2 1 337.305 3.236 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC2CCCC2)CC[N@H+]1C ZINC001170872404 1384402350 /nfs/dbraw/zinc/40/23/50/1384402350.db2.gz WVUIECWZWRAWBO-NZSAHSFTSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001316601629 1384468089 /nfs/dbraw/zinc/46/80/89/1384468089.db2.gz HJWCUIAMYKVZBN-MSOLQXFVSA-N 2 1 348.535 3.221 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001316601629 1384468091 /nfs/dbraw/zinc/46/80/91/1384468091.db2.gz HJWCUIAMYKVZBN-MSOLQXFVSA-N 2 1 348.535 3.221 20 0 EGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171245695 1384477175 /nfs/dbraw/zinc/47/71/75/1384477175.db2.gz AZJLKYXRAYZDEU-SJORKVTESA-N 2 1 334.508 3.215 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171247743 1384477557 /nfs/dbraw/zinc/47/75/57/1384477557.db2.gz NUYAEOJERRGCII-YLJYHZDGSA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171248413 1384478009 /nfs/dbraw/zinc/47/80/09/1384478009.db2.gz UOZSGXNTJRKUDT-MJGOQNOKSA-N 2 1 337.552 3.314 20 0 EGADMP C[C@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171260474 1384480845 /nfs/dbraw/zinc/48/08/45/1384480845.db2.gz ITRLFYXDKGYDCF-MRXNPFEDSA-N 2 1 349.494 3.075 20 0 EGADMP C[C@H](CCCC[NH2+][C@H](C)c1ccccc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171261193 1384481427 /nfs/dbraw/zinc/48/14/27/1384481427.db2.gz RLITYMWDEJBBCS-QZTJIDSGSA-N 2 1 345.531 3.497 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171537426 1384555826 /nfs/dbraw/zinc/55/58/26/1384555826.db2.gz CFHBETSSSVHWSC-HMTUNPETSA-N 2 1 337.552 3.482 20 0 EGADMP C[N@H+](CCNC(=O)OC(C)(C)C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171629171 1384585530 /nfs/dbraw/zinc/58/55/30/1384585530.db2.gz OMDDFVHXIALDKQ-UHFFFAOYSA-N 2 1 327.513 3.094 20 0 EGADMP C[N@@H+](CCNC(=O)OC(C)(C)C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171629171 1384585535 /nfs/dbraw/zinc/58/55/35/1384585535.db2.gz OMDDFVHXIALDKQ-UHFFFAOYSA-N 2 1 327.513 3.094 20 0 EGADMP C[NH+]1C(C)(C)CC([N@@H+]2CCc3cc4c(cc3C2)OCO4)CC1(C)C ZINC001171631952 1384586386 /nfs/dbraw/zinc/58/63/86/1384586386.db2.gz QWLAERMDZADOBL-UHFFFAOYSA-N 2 1 330.472 3.425 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CCc3cc4c(cc3C2)OCO4)CC1(C)C ZINC001171631952 1384586389 /nfs/dbraw/zinc/58/63/89/1384586389.db2.gz QWLAERMDZADOBL-UHFFFAOYSA-N 2 1 330.472 3.425 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)CC1(C)C ZINC001171638452 1384588385 /nfs/dbraw/zinc/58/83/85/1384588385.db2.gz YGPZVNPYGGRGMP-QGZVFWFLSA-N 2 1 349.563 3.362 20 0 EGADMP COC(=O)c1ccc2c(c1)C[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171641641 1384590122 /nfs/dbraw/zinc/59/01/22/1384590122.db2.gz RVWSAAQBZWFHST-UHFFFAOYSA-N 2 1 330.472 3.440 20 0 EGADMP COC(=O)c1ccc2c(c1)C[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171641641 1384590124 /nfs/dbraw/zinc/59/01/24/1384590124.db2.gz RVWSAAQBZWFHST-UHFFFAOYSA-N 2 1 330.472 3.440 20 0 EGADMP C[C@H]1C[C@@H](n2nc(-c3ccncc3)cc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171733981 1384619530 /nfs/dbraw/zinc/61/95/30/1384619530.db2.gz KVMKHJFKESZHGB-OXJNMPFZSA-N 2 1 347.466 3.239 20 0 EGADMP C[C@H]1C[C@@H](N2CCC([NH3+])(CC3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171738232 1384620769 /nfs/dbraw/zinc/62/07/69/1384620769.db2.gz HZWYOIHGPYDNKL-FXAWDEMLSA-N 2 1 327.516 3.243 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001171762367 1384628579 /nfs/dbraw/zinc/62/85/79/1384628579.db2.gz BCOYLTQKAYMJKE-QGZVFWFLSA-N 2 1 347.547 3.483 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCCC[NH2+][C@H](C)c1ccccc1 ZINC001171821937 1384650664 /nfs/dbraw/zinc/65/06/64/1384650664.db2.gz QLKSLVWVTXIXNG-FUHWJXTLSA-N 2 1 342.487 3.217 20 0 EGADMP Cc1nccn1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967593 1384698655 /nfs/dbraw/zinc/69/86/55/1384698655.db2.gz MLYYHUBQAVTBCJ-IBGZPJMESA-N 3 1 326.488 3.224 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n(C)n1 ZINC001171972831 1384699482 /nfs/dbraw/zinc/69/94/82/1384699482.db2.gz STXWWBMEWZHQQQ-GOSISDBHSA-N 2 1 326.488 3.261 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n(C)n1 ZINC001171972831 1384699486 /nfs/dbraw/zinc/69/94/86/1384699486.db2.gz STXWWBMEWZHQQQ-GOSISDBHSA-N 2 1 326.488 3.261 20 0 EGADMP CC1(C)C[C@H](N2C[C@H](F)C[C@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976252 1384700621 /nfs/dbraw/zinc/70/06/21/1384700621.db2.gz JOJBJYGXOWJWLC-IPMKNSEASA-N 2 1 334.479 3.082 20 0 EGADMP CCNC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989264 1384705917 /nfs/dbraw/zinc/70/59/17/1384705917.db2.gz BPRUNQPRYWVPKE-MOPGFXCFSA-N 2 1 343.515 3.030 20 0 EGADMP CCNC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989264 1384705920 /nfs/dbraw/zinc/70/59/20/1384705920.db2.gz BPRUNQPRYWVPKE-MOPGFXCFSA-N 2 1 343.515 3.030 20 0 EGADMP CCNC(=O)[C@@H]1CCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989264 1384705922 /nfs/dbraw/zinc/70/59/22/1384705922.db2.gz BPRUNQPRYWVPKE-MOPGFXCFSA-N 2 1 343.515 3.030 20 0 EGADMP CCNC(=O)[C@@H]1CCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989264 1384705923 /nfs/dbraw/zinc/70/59/23/1384705923.db2.gz BPRUNQPRYWVPKE-MOPGFXCFSA-N 2 1 343.515 3.030 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)[C@@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172005894 1384708977 /nfs/dbraw/zinc/70/89/77/1384708977.db2.gz RWAIORISQANAPC-MISYRCLQSA-N 2 1 347.547 3.292 20 0 EGADMP C[NH+]1CCC(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172064046 1384715335 /nfs/dbraw/zinc/71/53/35/1384715335.db2.gz DWQHORMUPZYNDN-WKCHPHFGSA-N 2 1 327.516 3.256 20 0 EGADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC4(C2)CCOC4)C3)cc1 ZINC001172080327 1384723159 /nfs/dbraw/zinc/72/31/59/1384723159.db2.gz TXTSTYUTGBMXKJ-ACDBMABISA-N 2 1 326.484 3.294 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC4(C2)CCOC4)C3)cc1 ZINC001172080327 1384723163 /nfs/dbraw/zinc/72/31/63/1384723163.db2.gz TXTSTYUTGBMXKJ-ACDBMABISA-N 2 1 326.484 3.294 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)C2 ZINC001172098983 1384726110 /nfs/dbraw/zinc/72/61/10/1384726110.db2.gz HPMOJTMCEQUBMX-QKDCVEJESA-N 2 1 343.393 3.128 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(Cc3ccccc3)CCOCC1)C2 ZINC001172110603 1384730208 /nfs/dbraw/zinc/73/02/08/1384730208.db2.gz KUUCMRFSMWFJQU-OWZKRDHZSA-N 2 1 328.500 3.383 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(Cc3ccccc3)CCOCC1)C2 ZINC001172110603 1384730213 /nfs/dbraw/zinc/73/02/13/1384730213.db2.gz KUUCMRFSMWFJQU-OWZKRDHZSA-N 2 1 328.500 3.383 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(C[C@@H](OCC4CC4)CO3)CC1)C2 ZINC001172119350 1384732987 /nfs/dbraw/zinc/73/29/87/1384732987.db2.gz UTZGQOLEXUKJED-IYWMVGAKSA-N 2 1 348.531 3.052 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(C[C@@H](OCC4CC4)CO3)CC1)C2 ZINC001172119350 1384732989 /nfs/dbraw/zinc/73/29/89/1384732989.db2.gz UTZGQOLEXUKJED-IYWMVGAKSA-N 2 1 348.531 3.052 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccc3c1cccc3N1CC[NH2+]CC1)C2 ZINC001172120984 1384734332 /nfs/dbraw/zinc/73/43/32/1384734332.db2.gz AYXZNISUNBNJMR-BCDXTJNWSA-N 2 1 338.499 3.239 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1Cc3cnc(-c4ccccc4)nc3C1)C2 ZINC001172130342 1384738084 /nfs/dbraw/zinc/73/80/84/1384738084.db2.gz OEJWBYBEBOOCQM-BWTSREIZSA-N 2 1 334.467 3.475 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1Cc3cnc(-c4ccccc4)nc3C1)C2 ZINC001172130342 1384738088 /nfs/dbraw/zinc/73/80/88/1384738088.db2.gz OEJWBYBEBOOCQM-BWTSREIZSA-N 2 1 334.467 3.475 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1Cc3cnc(-c4ccccc4)nc3C1)C2 ZINC001172130342 1384738089 /nfs/dbraw/zinc/73/80/89/1384738089.db2.gz OEJWBYBEBOOCQM-BWTSREIZSA-N 2 1 334.467 3.475 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1Cc3cnc(-c4ccccc4)nc3C1)C2 ZINC001172130342 1384738092 /nfs/dbraw/zinc/73/80/92/1384738092.db2.gz OEJWBYBEBOOCQM-BWTSREIZSA-N 2 1 334.467 3.475 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3CN(c4ccccc4)C[C@H]3C1)C2 ZINC001172133254 1384738277 /nfs/dbraw/zinc/73/82/77/1384738277.db2.gz QLJJZUJGSPXOTQ-SQEGATDGSA-N 2 1 325.500 3.070 20 0 EGADMP C[N@H+](C1CCOCC1)C1CC[NH+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172206821 1384748382 /nfs/dbraw/zinc/74/83/82/1384748382.db2.gz VCIMGPWIAXPSMT-LJQANCHMSA-N 2 1 346.540 3.279 20 0 EGADMP C[N@@H+](C1CCOCC1)C1CC[NH+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172206821 1384748387 /nfs/dbraw/zinc/74/83/87/1384748387.db2.gz VCIMGPWIAXPSMT-LJQANCHMSA-N 2 1 346.540 3.279 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC001172216930 1384750116 /nfs/dbraw/zinc/75/01/16/1384750116.db2.gz STDRUKAHKVDALH-XHMYCBFFSA-N 2 1 326.484 3.482 20 0 EGADMP COCCC[NH+]1CCC([NH2+]Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001172246945 1384755929 /nfs/dbraw/zinc/75/59/29/1384755929.db2.gz DVORMJBSYWAEMK-UHFFFAOYSA-N 2 1 348.384 3.435 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H](c3cccc(OC)c3)C2)CC1 ZINC001172253857 1384756581 /nfs/dbraw/zinc/75/65/81/1384756581.db2.gz DJBIKHHPHNCMFR-IBGZPJMESA-N 2 1 346.515 3.376 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H](c3cccc(OC)c3)C2)CC1 ZINC001172253857 1384756585 /nfs/dbraw/zinc/75/65/85/1384756585.db2.gz DJBIKHHPHNCMFR-IBGZPJMESA-N 2 1 346.515 3.376 20 0 EGADMP CC[C@H](C)OCC[C@H](C)N(c1cc(C)[nH+]c(C)n1)C1CC[NH2+]CC1 ZINC001172362678 1384777532 /nfs/dbraw/zinc/77/75/32/1384777532.db2.gz VZYJVBDURQZOEM-HOTGVXAUSA-N 2 1 334.508 3.246 20 0 EGADMP CCCC[C@H]1C[C@@H]([N@@H+]2CCC[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172629845 1384822731 /nfs/dbraw/zinc/82/27/31/1384822731.db2.gz AJBLRKAWPADOES-ULQDDVLXSA-N 2 1 339.524 3.368 20 0 EGADMP CCCC[C@H]1C[C@@H]([N@H+]2CCC[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172629845 1384822735 /nfs/dbraw/zinc/82/27/35/1384822735.db2.gz AJBLRKAWPADOES-ULQDDVLXSA-N 2 1 339.524 3.368 20 0 EGADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001172778457 1384849763 /nfs/dbraw/zinc/84/97/63/1384849763.db2.gz MJODJRZSJIQNGT-YJBOKZPZSA-N 2 1 348.462 3.197 20 0 EGADMP COC(=O)[C@@H](CCCC[NH3+])[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172818691 1384858093 /nfs/dbraw/zinc/85/80/93/1384858093.db2.gz PUZCEYKMEZWSLA-CTWPCTMYSA-N 2 1 332.488 3.048 20 0 EGADMP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001172883334 1384872585 /nfs/dbraw/zinc/87/25/85/1384872585.db2.gz RQDPRUUQBYFUDO-HNNXBMFYSA-N 2 1 341.952 3.048 20 0 EGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173067534 1384905671 /nfs/dbraw/zinc/90/56/71/1384905671.db2.gz BLMZWZZUCIJWQE-NVXWUHKLSA-N 2 1 339.524 3.191 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173067534 1384905675 /nfs/dbraw/zinc/90/56/75/1384905675.db2.gz BLMZWZZUCIJWQE-NVXWUHKLSA-N 2 1 339.524 3.191 20 0 EGADMP C[C@H]1CC[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC001173067569 1384905917 /nfs/dbraw/zinc/90/59/17/1384905917.db2.gz BWMNCHHDKUQZRH-RDJZCZTQSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001173079061 1384909256 /nfs/dbraw/zinc/90/92/56/1384909256.db2.gz INHZFRJSHVNNTO-BMFZPTHFSA-N 2 1 342.405 3.400 20 0 EGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001173079061 1384909259 /nfs/dbraw/zinc/90/92/59/1384909259.db2.gz INHZFRJSHVNNTO-BMFZPTHFSA-N 2 1 342.405 3.400 20 0 EGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001173079061 1384909262 /nfs/dbraw/zinc/90/92/62/1384909262.db2.gz INHZFRJSHVNNTO-BMFZPTHFSA-N 2 1 342.405 3.400 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCN3C(=O)c4ccccc4[C@H]3C2)CC1 ZINC001173110779 1384916927 /nfs/dbraw/zinc/91/69/27/1384916927.db2.gz XPGUAMUGAAWORF-LBXVMSDZSA-N 2 1 341.499 3.152 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](Oc3ncc(C)cn3)C2)CC1 ZINC001173114078 1384917676 /nfs/dbraw/zinc/91/76/76/1384917676.db2.gz VENMUWJKMVPIMD-CTWPCTMYSA-N 2 1 346.519 3.281 20 0 EGADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC001173174811 1384931126 /nfs/dbraw/zinc/93/11/26/1384931126.db2.gz CTKRSTFCUBDQIM-OYNPSCLESA-N 2 1 328.500 3.398 20 0 EGADMP C[C@H]1C[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC001173174811 1384931128 /nfs/dbraw/zinc/93/11/28/1384931128.db2.gz CTKRSTFCUBDQIM-OYNPSCLESA-N 2 1 328.500 3.398 20 0 EGADMP C[C@H]1C[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC001173174811 1384931134 /nfs/dbraw/zinc/93/11/34/1384931134.db2.gz CTKRSTFCUBDQIM-OYNPSCLESA-N 2 1 328.500 3.398 20 0 EGADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001173254317 1384945374 /nfs/dbraw/zinc/94/53/74/1384945374.db2.gz FOYZBMYJXKAZTI-ZRNYENFQSA-N 2 1 347.551 3.278 20 0 EGADMP CCCC[C@H](CC(C)C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001173254317 1384945383 /nfs/dbraw/zinc/94/53/83/1384945383.db2.gz FOYZBMYJXKAZTI-ZRNYENFQSA-N 2 1 347.551 3.278 20 0 EGADMP CCCC[C@H](CC(C)C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001173254317 1384945385 /nfs/dbraw/zinc/94/53/85/1384945385.db2.gz FOYZBMYJXKAZTI-ZRNYENFQSA-N 2 1 347.551 3.278 20 0 EGADMP CCSC[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC001173294639 1384952795 /nfs/dbraw/zinc/95/27/95/1384952795.db2.gz DFDLYRYAHMKKCT-INIZCTEOSA-N 2 1 336.545 3.433 20 0 EGADMP COC(=O)CCCC[C@H](C)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173445356 1384972245 /nfs/dbraw/zinc/97/22/45/1384972245.db2.gz YJHDILFWMNRZFO-LNLFQRSKSA-N 2 1 347.503 3.275 20 0 EGADMP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C1CC[NH+](CCO)CC1 ZINC001173540032 1384980809 /nfs/dbraw/zinc/98/08/09/1384980809.db2.gz VZOYOGWMPWQISB-ZDUSSCGKSA-N 2 1 345.314 3.361 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001317206100 1384982234 /nfs/dbraw/zinc/98/22/34/1384982234.db2.gz RDSBHMDQWUAIFK-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001317206100 1384982236 /nfs/dbraw/zinc/98/22/36/1384982236.db2.gz RDSBHMDQWUAIFK-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001317206100 1384982237 /nfs/dbraw/zinc/98/22/37/1384982237.db2.gz RDSBHMDQWUAIFK-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP COC(=O)c1ccc(C[C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001173713413 1385006968 /nfs/dbraw/zinc/00/69/68/1385006968.db2.gz ZBOLCWRQQHVJGO-DQEVTTJGSA-N 2 1 330.472 3.009 20 0 EGADMP COC(=O)c1ccc(C[C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001173713413 1385006972 /nfs/dbraw/zinc/00/69/72/1385006972.db2.gz ZBOLCWRQQHVJGO-DQEVTTJGSA-N 2 1 330.472 3.009 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001317280600 1385051234 /nfs/dbraw/zinc/05/12/34/1385051234.db2.gz SVVDXDDLWXGDFT-DLBZAZTESA-N 2 1 341.499 3.337 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001317281478 1385052249 /nfs/dbraw/zinc/05/22/49/1385052249.db2.gz XREFQCCNLOBBJE-WWDZGPRUSA-N 2 1 339.568 3.275 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174905682 1385168447 /nfs/dbraw/zinc/16/84/47/1385168447.db2.gz MDVXJOISGDARHX-BZSNNMDCSA-N 2 1 339.568 3.418 20 0 EGADMP CC[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)[C@@H](C)c1cccc(F)c1 ZINC001317493299 1385194515 /nfs/dbraw/zinc/19/45/15/1385194515.db2.gz VTBJJCUJOQLCLH-KRWDZBQOSA-N 2 1 349.494 3.201 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175257264 1385232038 /nfs/dbraw/zinc/23/20/38/1385232038.db2.gz XYNQJSOOWAODHS-QZTJIDSGSA-N 2 1 325.541 3.172 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175262405 1385233385 /nfs/dbraw/zinc/23/33/85/1385233385.db2.gz GFRGISPVBUQRAV-ROUUACIJSA-N 2 1 339.568 3.419 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175265109 1385234206 /nfs/dbraw/zinc/23/42/06/1385234206.db2.gz XIDAOOSRQCGIIT-FNYRVFDFSA-N 2 1 337.552 3.339 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175263790 1385234824 /nfs/dbraw/zinc/23/48/24/1385234824.db2.gz RINFPEMZFSKPNO-QZTJIDSGSA-N 2 1 349.563 3.173 20 0 EGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C)C2 ZINC001175273345 1385237054 /nfs/dbraw/zinc/23/70/54/1385237054.db2.gz QZKBITYPOYXYDC-SJLPKXTDSA-N 2 1 348.535 3.065 20 0 EGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001175272752 1385237197 /nfs/dbraw/zinc/23/71/97/1385237197.db2.gz LYOZYEVPBZYXSW-AEFFLSMTSA-N 2 1 348.535 3.209 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001317745960 1385434017 /nfs/dbraw/zinc/43/40/17/1385434017.db2.gz DHHFINYNLOFMBK-BGYRXZFFSA-N 2 1 347.547 3.118 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+][C@@H](C)c1ccccc1 ZINC001176022908 1385463570 /nfs/dbraw/zinc/46/35/70/1385463570.db2.gz DCMRZMXRCFMZBK-MSOLQXFVSA-N 2 1 333.520 3.354 20 0 EGADMP CCc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001176023801 1385464337 /nfs/dbraw/zinc/46/43/37/1385464337.db2.gz IRNJLBBNGZZHLV-SFHVURJKSA-N 2 1 347.547 3.355 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001176024955 1385464841 /nfs/dbraw/zinc/46/48/41/1385464841.db2.gz VOTUASIZYAIAAK-HZPDHXFCSA-N 2 1 347.494 3.028 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(CC)cc1 ZINC001176283939 1385538596 /nfs/dbraw/zinc/53/85/96/1385538596.db2.gz BIIUSSZIBBTQMZ-SFHVURJKSA-N 2 1 347.547 3.355 20 0 EGADMP Cc1cccc2[nH+]cc(Nc3ccc(OCCC[NH+](C)C)nc3)n21 ZINC001176352339 1385560709 /nfs/dbraw/zinc/56/07/09/1385560709.db2.gz JFEUFOGAOVQPKO-UHFFFAOYSA-N 2 1 325.416 3.112 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1CCC[NH+](CC2CCCC2)C1)C1CCCCC1 ZINC001317977141 1385595331 /nfs/dbraw/zinc/59/53/31/1385595331.db2.gz DNOJOSGJWZPDET-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)N[C@H]1CCC[N@H+](CC2CCCC2)C1)C1CCCCC1 ZINC001317977141 1385595335 /nfs/dbraw/zinc/59/53/35/1385595335.db2.gz DNOJOSGJWZPDET-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1)C1CCCCC1 ZINC001317977141 1385595337 /nfs/dbraw/zinc/59/53/37/1385595337.db2.gz DNOJOSGJWZPDET-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317985190 1385599921 /nfs/dbraw/zinc/59/99/21/1385599921.db2.gz QJOZUAYICFQXRM-KRWDZBQOSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317985190 1385599925 /nfs/dbraw/zinc/59/99/25/1385599925.db2.gz QJOZUAYICFQXRM-KRWDZBQOSA-N 2 1 334.508 3.023 20 0 EGADMP Cc1cc(C)cc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001176564339 1385626596 /nfs/dbraw/zinc/62/65/96/1385626596.db2.gz OJMBRUVQECVOTO-ICSRJNTNSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001176754387 1385684093 /nfs/dbraw/zinc/68/40/93/1385684093.db2.gz UHQCLDVIMZSELI-YLJYHZDGSA-N 2 1 345.531 3.279 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C ZINC001176758806 1385686002 /nfs/dbraw/zinc/68/60/02/1385686002.db2.gz FMLPEENYDYYSON-MSOLQXFVSA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001318430280 1385686857 /nfs/dbraw/zinc/68/68/57/1385686857.db2.gz YJDVAEMQUFUQRT-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP Cc1cc(C)c(C[NH2+]CCCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c(C)c1 ZINC001176844617 1385722494 /nfs/dbraw/zinc/72/24/94/1385722494.db2.gz MHEDOCOFZTYJSD-KDURUIRLSA-N 2 1 345.531 3.081 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001176992266 1385765316 /nfs/dbraw/zinc/76/53/16/1385765316.db2.gz KYTJXAYEUCFJFO-FQEVSTJZSA-N 2 1 343.515 3.034 20 0 EGADMP Cc1c[nH+]c2ccccc2c1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001318867344 1385865434 /nfs/dbraw/zinc/86/54/34/1385865434.db2.gz NWUGOXULHAJWEJ-OAQYLSRUSA-N 2 1 347.462 3.451 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC2CCC2)CC1 ZINC001319027047 1385932529 /nfs/dbraw/zinc/93/25/29/1385932529.db2.gz HJPVIQDETBECFU-FQEVSTJZSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001177484902 1385974517 /nfs/dbraw/zinc/97/45/17/1385974517.db2.gz MWVOIENTORMSRL-HDICACEKSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NC2(C[NH2+]CC3CCCCCC3)CCCC2)C1 ZINC001698634394 1406278942 /nfs/dbraw/zinc/27/89/42/1406278942.db2.gz PCSRHWRUTPINGG-SFHVURJKSA-N 2 1 349.563 3.317 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178483641 1386231323 /nfs/dbraw/zinc/23/13/23/1386231323.db2.gz HCXBKGAMQZNCBP-UXHICEINSA-N 2 1 349.563 3.317 20 0 EGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178484068 1386232152 /nfs/dbraw/zinc/23/21/52/1386232152.db2.gz NSKMCWVKHQOXER-JGAFRWBPSA-N 2 1 349.563 3.483 20 0 EGADMP CCC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178523339 1386241239 /nfs/dbraw/zinc/24/12/39/1386241239.db2.gz VWQKRNJRMPWOCY-LXORQPIJSA-N 2 1 337.552 3.339 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001178526807 1386241316 /nfs/dbraw/zinc/24/13/16/1386241316.db2.gz CVVYBZYPLZXCAG-OKZBNKHCSA-N 2 1 325.541 3.029 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001178688255 1386278111 /nfs/dbraw/zinc/27/81/11/1386278111.db2.gz JCBFESDAEHWIEW-IBGZPJMESA-N 2 1 337.552 3.197 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001178693626 1386280818 /nfs/dbraw/zinc/28/08/18/1386280818.db2.gz YCUVRFDADMKQIE-LJQANCHMSA-N 2 1 337.552 3.482 20 0 EGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001178698540 1386281757 /nfs/dbraw/zinc/28/17/57/1386281757.db2.gz KUKBLMGPGXLUSC-WHLIDYPQSA-N 2 1 346.519 3.383 20 0 EGADMP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001178736314 1386292324 /nfs/dbraw/zinc/29/23/24/1386292324.db2.gz UQCIYVOBGDQDAE-RHBGGLPHSA-N 2 1 346.519 3.332 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC001319904481 1386379321 /nfs/dbraw/zinc/37/93/21/1386379321.db2.gz GOFAUTAIZQBDIK-ZACQAIPSSA-N 2 1 339.524 3.001 20 0 EGADMP C[N@@H+](CCC(=O)NCCCCCC[NH2+]CC1CC1)C1CCCCC1 ZINC001179134029 1386407231 /nfs/dbraw/zinc/40/72/31/1386407231.db2.gz FNSTXZFDLRBSNZ-UHFFFAOYSA-N 2 1 337.552 3.317 20 0 EGADMP Cc1cc(C)c(C[N@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c(C)c1 ZINC001320009396 1386450345 /nfs/dbraw/zinc/45/03/45/1386450345.db2.gz IIXILCNCBYSCFK-FQEVSTJZSA-N 2 1 347.547 3.088 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]C[C@H](F)CC)C1 ZINC001179357758 1386461807 /nfs/dbraw/zinc/46/18/07/1386461807.db2.gz KUYATKHGLTWLJI-ZWKOTPCHSA-N 2 1 343.531 3.123 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]C/C=C/Cl)C1 ZINC001179357864 1386462766 /nfs/dbraw/zinc/46/27/66/1386462766.db2.gz NYUSVPQCZPQFKD-VMSUTVGLSA-N 2 1 343.943 3.127 20 0 EGADMP CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001179361519 1386463406 /nfs/dbraw/zinc/46/34/06/1386463406.db2.gz ILBHTTYXGYHWNL-IBGZPJMESA-N 2 1 337.552 3.460 20 0 EGADMP CCC/C=C\CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001179580618 1386521433 /nfs/dbraw/zinc/52/14/33/1386521433.db2.gz KESPRBIFVUVZCW-VOFKWLDRSA-N 2 1 337.552 3.483 20 0 EGADMP C[C@H]([NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001179580663 1386522190 /nfs/dbraw/zinc/52/21/90/1386522190.db2.gz LSMLIWMLRJGVNG-OALUTQOASA-N 2 1 345.531 3.498 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001179580998 1386522237 /nfs/dbraw/zinc/52/22/37/1386522237.db2.gz ZDTNUMAUCFGETC-QGZVFWFLSA-N 2 1 325.541 3.173 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179591647 1386526729 /nfs/dbraw/zinc/52/67/29/1386526729.db2.gz ZRBNNAKTDGTIAH-HKUYNNGSSA-N 2 1 337.552 3.031 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NCCCCCC[NH2+]CCCCCF)C1 ZINC001179592582 1386527007 /nfs/dbraw/zinc/52/70/07/1386527007.db2.gz IHTFPOBMLGUPAP-UHFFFAOYSA-N 2 1 343.531 3.124 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)[C@@H]1C ZINC001179719679 1386564237 /nfs/dbraw/zinc/56/42/37/1386564237.db2.gz NWIQNNPAKHJDDD-LPHOPBHVSA-N 2 1 344.503 3.051 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC[C@H](C)F ZINC001179746083 1386570446 /nfs/dbraw/zinc/57/04/46/1386570446.db2.gz NZFODLISTGPYHP-ZWKOTPCHSA-N 2 1 343.531 3.264 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1C ZINC001179978687 1386656879 /nfs/dbraw/zinc/65/68/79/1386656879.db2.gz IBJLHYOALXTXGY-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CCCF ZINC001180035883 1386676557 /nfs/dbraw/zinc/67/65/57/1386676557.db2.gz YCUSXECMBSRNIW-GOSISDBHSA-N 2 1 343.531 3.267 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)CC1 ZINC001180142377 1386711504 /nfs/dbraw/zinc/71/15/04/1386711504.db2.gz NYWYBLIAAXNHMC-OALUTQOASA-N 2 1 329.532 3.313 20 0 EGADMP Cc1ccc(C[N@H+]2CCCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC001320834758 1386732542 /nfs/dbraw/zinc/73/25/42/1386732542.db2.gz QFTUTQHFNHEXKN-UHFFFAOYSA-N 2 1 329.532 3.379 20 0 EGADMP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1F ZINC001180264993 1386750407 /nfs/dbraw/zinc/75/04/07/1386750407.db2.gz MDQYFLOCINFJEY-SJORKVTESA-N 2 1 349.494 3.105 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCCCCC[NH2+][C@H](C)c1ccccc1 ZINC001180274846 1386752175 /nfs/dbraw/zinc/75/21/75/1386752175.db2.gz YOMKXEKPFVLWJB-QGZVFWFLSA-N 2 1 342.487 3.219 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001180369650 1386777104 /nfs/dbraw/zinc/77/71/04/1386777104.db2.gz QJTHARFDKMTZGL-QRVBRYPASA-N 2 1 337.552 3.029 20 0 EGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC001182152993 1387113682 /nfs/dbraw/zinc/11/36/82/1387113682.db2.gz VGHOHWHPTWDQJT-GTPINHCMSA-N 2 1 341.540 3.390 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC001182152993 1387113684 /nfs/dbraw/zinc/11/36/84/1387113684.db2.gz VGHOHWHPTWDQJT-GTPINHCMSA-N 2 1 341.540 3.390 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@H]([NH2+]CC(CC)CC)C1 ZINC001182692254 1387207590 /nfs/dbraw/zinc/20/75/90/1387207590.db2.gz FQMNSSBKLWPGQE-DOTOQJQBSA-N 2 1 334.508 3.023 20 0 EGADMP CCCCC[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001182897400 1387241540 /nfs/dbraw/zinc/24/15/40/1387241540.db2.gz XMVBCJYPFLLDCX-YLJYHZDGSA-N 2 1 348.535 3.236 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC001336779184 1389167251 /nfs/dbraw/zinc/16/72/51/1389167251.db2.gz IGLUODSFMWTTHQ-LRDDRELGSA-N 2 1 328.859 3.223 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc(CC(F)(F)F)s3)C[C@H]2C1 ZINC001336889351 1389197434 /nfs/dbraw/zinc/19/74/34/1389197434.db2.gz SLJNQCLXICCDJN-JHJVBQTASA-N 2 1 347.450 3.410 20 0 EGADMP O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001330202833 1389338713 /nfs/dbraw/zinc/33/87/13/1389338713.db2.gz NULMGWQBKIJITH-IBGZPJMESA-N 2 1 327.472 3.238 20 0 EGADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]2CCCC[C@@H]12 ZINC001330545462 1389450906 /nfs/dbraw/zinc/45/09/06/1389450906.db2.gz VXCXUQXLCZTMLZ-AXGBLAMUSA-N 2 1 349.563 3.170 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC001330935559 1389570457 /nfs/dbraw/zinc/57/04/57/1389570457.db2.gz QBLJZKGAEQURGL-DYESRHJHSA-N 2 1 349.478 3.126 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)[C@@H](CC)c2ccccc2)CC1 ZINC001331068811 1389618793 /nfs/dbraw/zinc/61/87/93/1389618793.db2.gz NCQGAHFCBDJZKB-FQEVSTJZSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@H+](C)[C@@H](CC)c2ccccc2)CC1 ZINC001331068811 1389618796 /nfs/dbraw/zinc/61/87/96/1389618796.db2.gz NCQGAHFCBDJZKB-FQEVSTJZSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](C)[C@@H](CC)c2ccccc2)CC1 ZINC001331068811 1389618798 /nfs/dbraw/zinc/61/87/98/1389618798.db2.gz NCQGAHFCBDJZKB-FQEVSTJZSA-N 2 1 345.531 3.402 20 0 EGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](C[NH3+])C2CCCCCC2)CC1 ZINC001340185096 1390245134 /nfs/dbraw/zinc/24/51/34/1390245134.db2.gz QZBFSBUHRVHIKX-IBGZPJMESA-N 2 1 337.552 3.111 20 0 EGADMP COc1cc(OC)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1F ZINC001334356277 1390524138 /nfs/dbraw/zinc/52/41/38/1390524138.db2.gz KTISPBVMORFCCA-SQWLQELKSA-N 2 1 336.451 3.005 20 0 EGADMP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001342959659 1390677729 /nfs/dbraw/zinc/67/77/29/1390677729.db2.gz HFZPHZLKPWCJBA-KGLIPLIRSA-N 2 1 344.425 3.129 20 0 EGADMP C[NH2+][C@H](C)CCNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC001345105094 1390837523 /nfs/dbraw/zinc/83/75/23/1390837523.db2.gz PQCKFDKTTZIAHZ-OAHLLOKOSA-N 2 1 343.475 3.174 20 0 EGADMP CN(C)c1ncccc1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001347139773 1391010117 /nfs/dbraw/zinc/01/01/17/1391010117.db2.gz FNEMYMZMEKGQEQ-NRFANRHFSA-N 2 1 338.499 3.149 20 0 EGADMP CN(C)c1ncccc1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001347139773 1391010122 /nfs/dbraw/zinc/01/01/22/1391010122.db2.gz FNEMYMZMEKGQEQ-NRFANRHFSA-N 2 1 338.499 3.149 20 0 EGADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NC3CC[NH+](C4CCCCC4)CC3)C[N@H+]2C1 ZINC001347980330 1391153507 /nfs/dbraw/zinc/15/35/07/1391153507.db2.gz ISTFIJFYDQNMIW-MBOZVWFJSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H](Nc1nc(N2CCCC2)cc[nH+]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001348083795 1391171276 /nfs/dbraw/zinc/17/12/76/1391171276.db2.gz INRRKMUHQBHVDA-HOTGVXAUSA-N 2 1 329.492 3.142 20 0 EGADMP C[C@H](Nc1nc(N2CCCC2)cc[nH+]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001348083795 1391171280 /nfs/dbraw/zinc/17/12/80/1391171280.db2.gz INRRKMUHQBHVDA-HOTGVXAUSA-N 2 1 329.492 3.142 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC001353338747 1391992199 /nfs/dbraw/zinc/99/21/99/1391992199.db2.gz IVKQBHQJYJAGLV-CZUORRHYSA-N 2 1 330.394 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH2+][C@@H](CC)c2ccccc2)C1 ZINC001480304276 1392668174 /nfs/dbraw/zinc/66/81/74/1392668174.db2.gz WVWHEBZXOAPVJW-ICSRJNTNSA-N 2 1 345.531 3.308 20 0 EGADMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001480325670 1392685788 /nfs/dbraw/zinc/68/57/88/1392685788.db2.gz XYSXZSKVRXMLKL-WOJBJXKFSA-N 2 1 345.531 3.052 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+]1CC1CC1)CC(C)(C)C ZINC001480373852 1392716946 /nfs/dbraw/zinc/71/69/46/1392716946.db2.gz SXBMFZKYYNUVNK-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CC1CC1)CC(C)(C)C ZINC001480373852 1392716949 /nfs/dbraw/zinc/71/69/49/1392716949.db2.gz SXBMFZKYYNUVNK-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+]1CC1CC1)CC(C)(C)C ZINC001480373852 1392716952 /nfs/dbraw/zinc/71/69/52/1392716952.db2.gz SXBMFZKYYNUVNK-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001480380748 1392724430 /nfs/dbraw/zinc/72/44/30/1392724430.db2.gz XKCISLABCDLYIF-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCCC2CCCC2)C1)[NH+](C)C ZINC001480737847 1392903688 /nfs/dbraw/zinc/90/36/88/1392903688.db2.gz AKCHNUORCJNJOW-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)c1ccccc1C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001480765668 1392920887 /nfs/dbraw/zinc/92/08/87/1392920887.db2.gz QRGBWBVCPLSFAM-SQGPQFPESA-N 2 1 345.531 3.135 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+](C)[C@H](C)c2ccccc2C)C1 ZINC001480903959 1393010356 /nfs/dbraw/zinc/01/03/56/1393010356.db2.gz CCUAOAWDWCPZPV-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001480903959 1393010359 /nfs/dbraw/zinc/01/03/59/1393010359.db2.gz CCUAOAWDWCPZPV-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001480903959 1393010361 /nfs/dbraw/zinc/01/03/61/1393010361.db2.gz CCUAOAWDWCPZPV-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP C[C@H](C(=O)NCC[N@H+](C)[C@@H](C)c1cccc(F)c1)[NH+]1CCCCCC1 ZINC001480920783 1393021171 /nfs/dbraw/zinc/02/11/71/1393021171.db2.gz XIKWNSVYAOLQEY-DLBZAZTESA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)Cc1cccc(F)c1 ZINC001481005009 1393082674 /nfs/dbraw/zinc/08/26/74/1393082674.db2.gz MUPKQNXULUUBME-KRWDZBQOSA-N 2 1 349.494 3.028 20 0 EGADMP CC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)c1cccc(F)c1 ZINC001481008212 1393084841 /nfs/dbraw/zinc/08/48/41/1393084841.db2.gz IRXXSOOIVMPLJX-KRWDZBQOSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccccc1 ZINC001698951239 1406691698 /nfs/dbraw/zinc/69/16/98/1406691698.db2.gz DZKXYACSNJIXTP-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CC1CCCCC1 ZINC001698948289 1406688193 /nfs/dbraw/zinc/68/81/93/1406688193.db2.gz VDNJNFSMQHZUGN-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](CCCC1CCC1)C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481500217 1394346975 /nfs/dbraw/zinc/34/69/75/1394346975.db2.gz DXXKLUAMVBYELO-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C)c(C)c1)[NH+](C)C ZINC001491231038 1394485902 /nfs/dbraw/zinc/48/59/02/1394485902.db2.gz QSNQBGXDDJEZSJ-UXHICEINSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+]1CCC(CCNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001482049351 1394712142 /nfs/dbraw/zinc/71/21/42/1394712142.db2.gz ADMNAIOCAOZYMI-FQEVSTJZSA-N 2 1 345.531 3.308 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)C1CCCCC1 ZINC001484017558 1395189403 /nfs/dbraw/zinc/18/94/03/1395189403.db2.gz JCMASPHXBRXGJY-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CCCCC1 ZINC001484017558 1395189408 /nfs/dbraw/zinc/18/94/08/1395189408.db2.gz JCMASPHXBRXGJY-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C1CCCCC1 ZINC001484017558 1395189411 /nfs/dbraw/zinc/18/94/11/1395189411.db2.gz JCMASPHXBRXGJY-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@]1(C)CCC[NH+]([C@H](C)c2ccccc2)C1 ZINC001484171827 1395313199 /nfs/dbraw/zinc/31/31/99/1395313199.db2.gz APFVOPOIGIENQB-NQIIRXRSSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]1(C)CCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001484171827 1395313208 /nfs/dbraw/zinc/31/32/08/1395313208.db2.gz APFVOPOIGIENQB-NQIIRXRSSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]1(C)CCC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001484171827 1395313214 /nfs/dbraw/zinc/31/32/14/1395313214.db2.gz APFVOPOIGIENQB-NQIIRXRSSA-N 2 1 345.531 3.308 20 0 EGADMP CN(CC(C)(C)C[NH2+]CC1CCCCC1)C(=O)C[N@@H+](C)C1CCC1 ZINC001485254184 1395741272 /nfs/dbraw/zinc/74/12/72/1395741272.db2.gz NZQJWOYZBAHOPH-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC001502999379 1396239174 /nfs/dbraw/zinc/23/91/74/1396239174.db2.gz APAYVNXGRWBBCJ-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC001502999379 1396239176 /nfs/dbraw/zinc/23/91/76/1396239176.db2.gz APAYVNXGRWBBCJ-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC001502999379 1396239179 /nfs/dbraw/zinc/23/91/79/1396239179.db2.gz APAYVNXGRWBBCJ-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001687428822 1396369850 /nfs/dbraw/zinc/36/98/50/1396369850.db2.gz SBFKYABRTCDBRO-VQTJNVASSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001687428822 1396369853 /nfs/dbraw/zinc/36/98/53/1396369853.db2.gz SBFKYABRTCDBRO-VQTJNVASSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001687428821 1396370374 /nfs/dbraw/zinc/37/03/74/1396370374.db2.gz SBFKYABRTCDBRO-UXHICEINSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001687428821 1396370377 /nfs/dbraw/zinc/37/03/77/1396370377.db2.gz SBFKYABRTCDBRO-UXHICEINSA-N 2 1 343.515 3.155 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001494156742 1396389029 /nfs/dbraw/zinc/38/90/29/1396389029.db2.gz IMIHKPJOCCMWKH-RBUKOAKNSA-N 2 1 345.531 3.178 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001494170128 1396394620 /nfs/dbraw/zinc/39/46/20/1396394620.db2.gz AFBCOBKMTBEUDP-SJORKVTESA-N 2 1 349.494 3.009 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001494170128 1396394623 /nfs/dbraw/zinc/39/46/23/1396394623.db2.gz AFBCOBKMTBEUDP-SJORKVTESA-N 2 1 349.494 3.009 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001494170128 1396394632 /nfs/dbraw/zinc/39/46/32/1396394632.db2.gz AFBCOBKMTBEUDP-SJORKVTESA-N 2 1 349.494 3.009 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1cc(C)cc(C)c1 ZINC001496713664 1396722687 /nfs/dbraw/zinc/72/26/87/1396722687.db2.gz DPDLDXFFKQZAKD-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC001496713664 1396722691 /nfs/dbraw/zinc/72/26/91/1396722691.db2.gz DPDLDXFFKQZAKD-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC001496713664 1396722693 /nfs/dbraw/zinc/72/26/93/1396722693.db2.gz DPDLDXFFKQZAKD-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001690049442 1404282008 /nfs/dbraw/zinc/28/20/08/1404282008.db2.gz SIQBXUKTCHLAFV-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001690049442 1404282013 /nfs/dbraw/zinc/28/20/13/1404282013.db2.gz SIQBXUKTCHLAFV-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001690049442 1404282015 /nfs/dbraw/zinc/28/20/15/1404282015.db2.gz SIQBXUKTCHLAFV-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001690255815 1404433033 /nfs/dbraw/zinc/43/30/33/1404433033.db2.gz YKEMRHGBDRVZDF-XLIONFOSSA-N 2 1 345.531 3.403 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+](Cc2cccc(C)c2)C1 ZINC001690392447 1404533573 /nfs/dbraw/zinc/53/35/73/1404533573.db2.gz XUCBSAPGCHVROO-HXUWFJFHSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC001690392447 1404533578 /nfs/dbraw/zinc/53/35/78/1404533578.db2.gz XUCBSAPGCHVROO-HXUWFJFHSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC001690392447 1404533583 /nfs/dbraw/zinc/53/35/83/1404533583.db2.gz XUCBSAPGCHVROO-HXUWFJFHSA-N 2 1 345.531 3.055 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)[C@H](C)CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001725176228 1425692715 /nfs/dbraw/zinc/69/27/15/1425692715.db2.gz YDCCUSJRTURVDM-MSOLQXFVSA-N 2 1 343.515 3.121 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001690785578 1404732908 /nfs/dbraw/zinc/73/29/08/1404732908.db2.gz WAHKGGHYEHOBFL-VQTJNVASSA-N 2 1 345.531 3.162 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001690785576 1404733256 /nfs/dbraw/zinc/73/32/56/1404733256.db2.gz WAHKGGHYEHOBFL-PMACEKPBSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)c1ccccc1C[N@@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001691000345 1404915989 /nfs/dbraw/zinc/91/59/89/1404915989.db2.gz CVQIBCNNNGYQAL-UHFFFAOYSA-N 2 1 345.531 3.234 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCC1 ZINC001691402922 1405240994 /nfs/dbraw/zinc/24/09/94/1405240994.db2.gz UNNAEYHUNKUTCA-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001691402922 1405241000 /nfs/dbraw/zinc/24/10/00/1405241000.db2.gz UNNAEYHUNKUTCA-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001691406823 1405244193 /nfs/dbraw/zinc/24/41/93/1405244193.db2.gz RWIHTFFHRYDBBX-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001691406823 1405244196 /nfs/dbraw/zinc/24/41/96/1405244196.db2.gz RWIHTFFHRYDBBX-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CCC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@H](C)c1ccccc1F ZINC001691409287 1405246427 /nfs/dbraw/zinc/24/64/27/1405246427.db2.gz AWWPHIDCSAZJNM-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@H](C)c1ccccc1F ZINC001691409287 1405246428 /nfs/dbraw/zinc/24/64/28/1405246428.db2.gz AWWPHIDCSAZJNM-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)c1ccccc1F ZINC001691409287 1405246430 /nfs/dbraw/zinc/24/64/30/1405246430.db2.gz AWWPHIDCSAZJNM-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)c1ccccc1F ZINC001691409287 1405246435 /nfs/dbraw/zinc/24/64/35/1405246435.db2.gz AWWPHIDCSAZJNM-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001692079225 1405762923 /nfs/dbraw/zinc/76/29/23/1405762923.db2.gz GQQXXDFEDHSAAR-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@H](N(C)C(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001698562642 1406162859 /nfs/dbraw/zinc/16/28/59/1406162859.db2.gz KQWJHJVOPIJSBZ-PXNSSMCTSA-N 2 1 343.515 3.073 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CC[C@H](N(C)C(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001698562642 1406162861 /nfs/dbraw/zinc/16/28/61/1406162861.db2.gz KQWJHJVOPIJSBZ-PXNSSMCTSA-N 2 1 343.515 3.073 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CC[C@H](N(C)C(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001698562642 1406162863 /nfs/dbraw/zinc/16/28/63/1406162863.db2.gz KQWJHJVOPIJSBZ-PXNSSMCTSA-N 2 1 343.515 3.073 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001732152796 1428396183 /nfs/dbraw/zinc/39/61/83/1428396183.db2.gz NGVPYYDGMKVIQW-QWNKOJSDSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)[NH2+]CC1CCCCC1 ZINC001732223264 1428472035 /nfs/dbraw/zinc/47/20/35/1428472035.db2.gz NGYNTVWNYYGYQS-KRWDZBQOSA-N 2 1 334.508 3.071 20 0 EGADMP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)cc1C ZINC001732360016 1428547941 /nfs/dbraw/zinc/54/79/41/1428547941.db2.gz HKTDOEQEEQWHER-MRXNPFEDSA-N 2 1 347.547 3.123 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001732485283 1428608467 /nfs/dbraw/zinc/60/84/67/1428608467.db2.gz HWIZAOQNNUGTAT-SJLPKXTDSA-N 2 1 339.568 3.227 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001699383761 1412693183 /nfs/dbraw/zinc/69/31/83/1412693183.db2.gz UWFSFLSSHHNHBE-MRXNPFEDSA-N 2 1 334.508 3.036 20 0 EGADMP Cc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001699758568 1413164635 /nfs/dbraw/zinc/16/46/35/1413164635.db2.gz LDZHNBMQOOAHOT-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001699825897 1413251083 /nfs/dbraw/zinc/25/10/83/1413251083.db2.gz JZYWEWNYNSQAOG-CTNGQTDRSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+]([C@H](CC)c2ccccc2)C1 ZINC001699825897 1413251084 /nfs/dbraw/zinc/25/10/84/1413251084.db2.gz JZYWEWNYNSQAOG-CTNGQTDRSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC001699825897 1413251087 /nfs/dbraw/zinc/25/10/87/1413251087.db2.gz JZYWEWNYNSQAOG-CTNGQTDRSA-N 2 1 345.531 3.450 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CCC1 ZINC001700139668 1413559075 /nfs/dbraw/zinc/55/90/75/1413559075.db2.gz QGHGPLPZPHTXTM-GOSISDBHSA-N 2 1 337.552 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCC[NH+](C)Cc2ccccc2)C1 ZINC001700189301 1413616060 /nfs/dbraw/zinc/61/60/60/1413616060.db2.gz IOTIHXCPMOSOPF-HXUWFJFHSA-N 2 1 345.531 3.089 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc2ccccc2)C1 ZINC001700189301 1413616063 /nfs/dbraw/zinc/61/60/63/1413616063.db2.gz IOTIHXCPMOSOPF-HXUWFJFHSA-N 2 1 345.531 3.089 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001700189301 1413616064 /nfs/dbraw/zinc/61/60/64/1413616064.db2.gz IOTIHXCPMOSOPF-HXUWFJFHSA-N 2 1 345.531 3.089 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)[C@H](C)c1ccccc1 ZINC001700363393 1413881977 /nfs/dbraw/zinc/88/19/77/1413881977.db2.gz JOSBUCXAINUZJQ-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)[C@H](C)c1ccccc1 ZINC001700363393 1413881982 /nfs/dbraw/zinc/88/19/82/1413881982.db2.gz JOSBUCXAINUZJQ-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC001700363393 1413881985 /nfs/dbraw/zinc/88/19/85/1413881985.db2.gz JOSBUCXAINUZJQ-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@@H+](C)CCC1CCCC1 ZINC001700479707 1414112934 /nfs/dbraw/zinc/11/29/34/1414112934.db2.gz BCWNNBYZOWDMMJ-KRWDZBQOSA-N 2 1 345.531 3.379 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1ccccc1C ZINC001732582797 1428792032 /nfs/dbraw/zinc/79/20/32/1428792032.db2.gz ZXRYXWUHRWXGCF-ICSRJNTNSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccccc1C ZINC001732582797 1428792034 /nfs/dbraw/zinc/79/20/34/1428792034.db2.gz ZXRYXWUHRWXGCF-ICSRJNTNSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccccc1C ZINC001732582797 1428792039 /nfs/dbraw/zinc/79/20/39/1428792039.db2.gz ZXRYXWUHRWXGCF-ICSRJNTNSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2F)[C@@H]1C ZINC001700891005 1414550120 /nfs/dbraw/zinc/55/01/20/1414550120.db2.gz YGMQLOCFMTYSOZ-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2F)[C@@H]1C ZINC001700891005 1414550124 /nfs/dbraw/zinc/55/01/24/1414550124.db2.gz YGMQLOCFMTYSOZ-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)[C@@H]1C ZINC001700891005 1414550128 /nfs/dbraw/zinc/55/01/28/1414550128.db2.gz YGMQLOCFMTYSOZ-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C)Cc2c[nH]cn2)c1 ZINC001732593463 1428821786 /nfs/dbraw/zinc/82/17/86/1428821786.db2.gz ABLWJRUOOCYXFK-IAGOWNOFSA-N 2 1 342.487 3.048 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc2cnc[nH]2)c1 ZINC001732593463 1428821795 /nfs/dbraw/zinc/82/17/95/1428821795.db2.gz ABLWJRUOOCYXFK-IAGOWNOFSA-N 2 1 342.487 3.048 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C)Cc2cnc[nH]2)c1 ZINC001732593463 1428821796 /nfs/dbraw/zinc/82/17/96/1428821796.db2.gz ABLWJRUOOCYXFK-IAGOWNOFSA-N 2 1 342.487 3.048 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH2+]Cc1csc(C)c1)C(C)(C)C ZINC001700998556 1414648960 /nfs/dbraw/zinc/64/89/60/1414648960.db2.gz QRDGUAMAEWCLIZ-MRXNPFEDSA-N 2 1 339.549 3.019 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1cccc(F)c1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001732774510 1428961863 /nfs/dbraw/zinc/96/18/63/1428961863.db2.gz GAZJNRWIBALLLR-LPHOPBHVSA-N 2 1 349.494 3.198 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2ccccc2C)C1 ZINC001713398924 1418018725 /nfs/dbraw/zinc/01/87/25/1418018725.db2.gz AUMIYOLFRJZBSO-OALUTQOASA-N 2 1 345.531 3.321 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001713398924 1418018729 /nfs/dbraw/zinc/01/87/29/1418018729.db2.gz AUMIYOLFRJZBSO-OALUTQOASA-N 2 1 345.531 3.321 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001713398924 1418018733 /nfs/dbraw/zinc/01/87/33/1418018733.db2.gz AUMIYOLFRJZBSO-OALUTQOASA-N 2 1 345.531 3.321 20 0 EGADMP CC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)c1ccccc1C ZINC001713494943 1418200140 /nfs/dbraw/zinc/20/01/40/1418200140.db2.gz OLUKUYBWWJRKFU-IBGZPJMESA-N 2 1 345.531 3.226 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001713536137 1418290319 /nfs/dbraw/zinc/29/03/19/1418290319.db2.gz RHQQVFFNJZNIDH-SFHVURJKSA-N 2 1 345.531 3.090 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](CC1CCCCC1)C1CC1 ZINC001713566150 1418377770 /nfs/dbraw/zinc/37/77/70/1418377770.db2.gz OFWIHUIQOYXLIG-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](CC1CCCCC1)C1CC1 ZINC001713566150 1418377774 /nfs/dbraw/zinc/37/77/74/1418377774.db2.gz OFWIHUIQOYXLIG-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](CC1CCCCC1)C1CC1 ZINC001713566150 1418377778 /nfs/dbraw/zinc/37/77/78/1418377778.db2.gz OFWIHUIQOYXLIG-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1)[NH+](C)C ZINC001714014383 1418794364 /nfs/dbraw/zinc/79/43/64/1418794364.db2.gz VNHDQAQHOWZTAO-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001714021569 1418804647 /nfs/dbraw/zinc/80/46/47/1418804647.db2.gz OTHWZIVJHUCPTR-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001714021569 1418804650 /nfs/dbraw/zinc/80/46/50/1418804650.db2.gz OTHWZIVJHUCPTR-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001714021569 1418804653 /nfs/dbraw/zinc/80/46/53/1418804653.db2.gz OTHWZIVJHUCPTR-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001714313756 1419094619 /nfs/dbraw/zinc/09/46/19/1419094619.db2.gz RCBAFXOCYKXKAV-WGSAOQKQSA-N 2 1 337.552 3.316 20 0 EGADMP Cc1cccc(C[N@@H+](C)CCNC(=O)CC[NH+](C)C2CCCCC2)c1 ZINC001714550465 1419276828 /nfs/dbraw/zinc/27/68/28/1419276828.db2.gz HOKSPSZWFXDULM-UHFFFAOYSA-N 2 1 345.531 3.198 20 0 EGADMP Cc1cccc(C[NH+](C)CCNC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC001714550465 1419276831 /nfs/dbraw/zinc/27/68/31/1419276831.db2.gz HOKSPSZWFXDULM-UHFFFAOYSA-N 2 1 345.531 3.198 20 0 EGADMP Cc1cccc(C[NH+](C)CCNC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC001714550465 1419276832 /nfs/dbraw/zinc/27/68/32/1419276832.db2.gz HOKSPSZWFXDULM-UHFFFAOYSA-N 2 1 345.531 3.198 20 0 EGADMP C[C@H](c1ccccc1Cl)[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001714550735 1419277535 /nfs/dbraw/zinc/27/75/35/1419277535.db2.gz ATKQWAJKDAQUNP-OAHLLOKOSA-N 2 1 349.906 3.077 20 0 EGADMP C[C@H](c1ccccc1Cl)[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001714550735 1419277538 /nfs/dbraw/zinc/27/75/38/1419277538.db2.gz ATKQWAJKDAQUNP-OAHLLOKOSA-N 2 1 349.906 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@H](C)c1ccc(F)cc1 ZINC001714584913 1419326198 /nfs/dbraw/zinc/32/61/98/1419326198.db2.gz SAASWIBNQRCIIH-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC001714584913 1419326203 /nfs/dbraw/zinc/32/62/03/1419326203.db2.gz SAASWIBNQRCIIH-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC001714584913 1419326208 /nfs/dbraw/zinc/32/62/08/1419326208.db2.gz SAASWIBNQRCIIH-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CCc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001714754076 1419494957 /nfs/dbraw/zinc/49/49/57/1419494957.db2.gz XWPCJJSXAOLYHC-QGZVFWFLSA-N 2 1 347.547 3.163 20 0 EGADMP CCCN(C(=O)C[NH+]1CCC(C)CC1)[C@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001714865159 1419591207 /nfs/dbraw/zinc/59/12/07/1419591207.db2.gz YPHTZCYKRCMYCI-MHJFOBGBSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](CNC(=O)CC[N@@H+](C)CC)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001715079653 1419815783 /nfs/dbraw/zinc/81/57/83/1419815783.db2.gz AAWSIOVBPSQLEF-IEBWSBKVSA-N 2 1 349.494 3.029 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCCC(C)(C)C)C2)CC1 ZINC001715542182 1420240062 /nfs/dbraw/zinc/24/00/62/1420240062.db2.gz DLCJVKDWXITNDB-QZTJIDSGSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001716414266 1420643503 /nfs/dbraw/zinc/64/35/03/1420643503.db2.gz XRNUGZXFTVOSNF-CABCVRRESA-N 2 1 346.450 3.001 20 0 EGADMP CCCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001716715664 1420872524 /nfs/dbraw/zinc/87/25/24/1420872524.db2.gz JMEBCAPHAHKDRF-IBGZPJMESA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[N@H+](CCNC(=O)CCc1cnc[nH]1)C1CCCCCC1 ZINC001733278862 1429448059 /nfs/dbraw/zinc/44/80/59/1429448059.db2.gz YZZQTAFIZPCSNA-UHFFFAOYSA-N 2 1 334.508 3.139 20 0 EGADMP CC(C)C[N@@H+](CCNC(=O)CCc1cnc[nH]1)C1CCCCCC1 ZINC001733278862 1429448063 /nfs/dbraw/zinc/44/80/63/1429448063.db2.gz YZZQTAFIZPCSNA-UHFFFAOYSA-N 2 1 334.508 3.139 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001716853618 1420985008 /nfs/dbraw/zinc/98/50/08/1420985008.db2.gz FHGGVEQICRLKMC-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001716903091 1421036448 /nfs/dbraw/zinc/03/64/48/1421036448.db2.gz WXIWGWBEYZOVNX-NRFANRHFSA-N 2 1 345.531 3.236 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001733286979 1429461307 /nfs/dbraw/zinc/46/13/07/1429461307.db2.gz VZNHPFKCHIDLCJ-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1ccc(C[NH+](C)CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001717206082 1421176553 /nfs/dbraw/zinc/17/65/53/1421176553.db2.gz BHLTZKVEKFYJNA-FQEVSTJZSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)cc1 ZINC001717206082 1421176555 /nfs/dbraw/zinc/17/65/55/1421176555.db2.gz BHLTZKVEKFYJNA-FQEVSTJZSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)cc1 ZINC001717206082 1421176557 /nfs/dbraw/zinc/17/65/57/1421176557.db2.gz BHLTZKVEKFYJNA-FQEVSTJZSA-N 2 1 345.531 3.148 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC1CCCCC1 ZINC001717206879 1421177754 /nfs/dbraw/zinc/17/77/54/1421177754.db2.gz SROSEGGHFMBGEX-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)CC1CCCCC1 ZINC001717206879 1421177755 /nfs/dbraw/zinc/17/77/55/1421177755.db2.gz SROSEGGHFMBGEX-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CC1CCCCC1 ZINC001717206879 1421177757 /nfs/dbraw/zinc/17/77/57/1421177757.db2.gz SROSEGGHFMBGEX-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CCC[NH+](C)CC2CCCCCC2)C1 ZINC001717212353 1421186913 /nfs/dbraw/zinc/18/69/13/1421186913.db2.gz VHUBAXRTAYCYME-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)CCC[N@H+](C)CC2CCCCCC2)C1 ZINC001717212353 1421186916 /nfs/dbraw/zinc/18/69/16/1421186916.db2.gz VHUBAXRTAYCYME-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)CCC[N@@H+](C)CC2CCCCCC2)C1 ZINC001717212353 1421186918 /nfs/dbraw/zinc/18/69/18/1421186918.db2.gz VHUBAXRTAYCYME-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)CC1(C)C)[NH+](C)C ZINC001717310875 1421254777 /nfs/dbraw/zinc/25/47/77/1421254777.db2.gz PQHNUVDJWBNGNS-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC001733289502 1429467067 /nfs/dbraw/zinc/46/70/67/1429467067.db2.gz RLFDRONJOYUSAO-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001717377363 1421319874 /nfs/dbraw/zinc/31/98/74/1421319874.db2.gz KDVPACYUWKQXPS-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001717537180 1421475163 /nfs/dbraw/zinc/47/51/63/1421475163.db2.gz YYAHHTAUGZJCQE-SFHVURJKSA-N 2 1 337.552 3.412 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C[NH2+][C@H](C)c1ccccc1)C(C)(C)C ZINC001717972430 1421744110 /nfs/dbraw/zinc/74/41/10/1421744110.db2.gz GYAVXRABUGMSDA-CRAIPNDOSA-N 2 1 342.487 3.073 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)C[C@@H]1C ZINC001733335397 1429520375 /nfs/dbraw/zinc/52/03/75/1429520375.db2.gz IWKGHLQXKWPFAR-HWJGFJICSA-N 2 1 343.515 3.011 20 0 EGADMP CCCC[N@H+]1CCC[C@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001733469594 1429704075 /nfs/dbraw/zinc/70/40/75/1429704075.db2.gz XSYKICWLFCKZMG-HXUWFJFHSA-N 2 1 337.552 3.271 20 0 EGADMP CC(C)[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001724295289 1424781268 /nfs/dbraw/zinc/78/12/68/1424781268.db2.gz PNXNDCGYQLZVGJ-IBGZPJMESA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001724321902 1424805958 /nfs/dbraw/zinc/80/59/58/1424805958.db2.gz MUGFDCPSXNJBPV-HXUWFJFHSA-N 2 1 337.552 3.269 20 0 EGADMP C[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1)[NH+]1CCCCCC1 ZINC001724856432 1425228531 /nfs/dbraw/zinc/22/85/31/1425228531.db2.gz AYNLOQGIDCDBBM-IBGZPJMESA-N 2 1 345.531 3.231 20 0 EGADMP C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+](C)CC1CC(C)C1 ZINC001725170130 1425677417 /nfs/dbraw/zinc/67/74/17/1425677417.db2.gz LVWMVSGGOSOCMF-LXPRWKDFSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@H+](C)CC1CC(C)C1 ZINC001725170130 1425677420 /nfs/dbraw/zinc/67/74/20/1425677420.db2.gz LVWMVSGGOSOCMF-LXPRWKDFSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@@H+](C)CC1CC(C)C1 ZINC001725170130 1425677422 /nfs/dbraw/zinc/67/74/22/1425677422.db2.gz LVWMVSGGOSOCMF-LXPRWKDFSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)[C@@H](C)c1ccccc1F ZINC001725196614 1425751454 /nfs/dbraw/zinc/75/14/54/1425751454.db2.gz RIYQAUQTUQTKTK-IRXDYDNUSA-N 2 1 349.494 3.199 20 0 EGADMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CCC[N@H+]1CCC1CC1 ZINC001725613091 1426273855 /nfs/dbraw/zinc/27/38/55/1426273855.db2.gz AYFXWRSDWKIFNC-FXAWDEMLSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CCC[NH+]1CCC1CC1 ZINC001725613091 1426273856 /nfs/dbraw/zinc/27/38/56/1426273856.db2.gz AYFXWRSDWKIFNC-FXAWDEMLSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CCC[NH+]1CCC1CC1 ZINC001725613091 1426273857 /nfs/dbraw/zinc/27/38/57/1426273857.db2.gz AYFXWRSDWKIFNC-FXAWDEMLSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1C/C=C\c1ccccc1 ZINC001725630417 1426297669 /nfs/dbraw/zinc/29/76/69/1426297669.db2.gz QZGOLVLCVRTKGN-QJWLNXOLSA-N 2 1 343.515 3.011 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1C/C=C/c1ccccc1 ZINC001725630412 1426297727 /nfs/dbraw/zinc/29/77/27/1426297727.db2.gz QZGOLVLCVRTKGN-HSBQTJJHSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1CC ZINC001731542114 1427552852 /nfs/dbraw/zinc/55/28/52/1427552852.db2.gz LDHGLFKCOMWBOL-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1CC ZINC001731542114 1427552855 /nfs/dbraw/zinc/55/28/55/1427552855.db2.gz LDHGLFKCOMWBOL-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1CC ZINC001731542114 1427552862 /nfs/dbraw/zinc/55/28/62/1427552862.db2.gz LDHGLFKCOMWBOL-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1Cc1c(C)cccc1C ZINC001731542897 1427555162 /nfs/dbraw/zinc/55/51/62/1427555162.db2.gz PNGRSFPCZSGGPY-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1c(C)cccc1C ZINC001731542897 1427555165 /nfs/dbraw/zinc/55/51/65/1427555165.db2.gz PNGRSFPCZSGGPY-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1c(C)cccc1C ZINC001731542897 1427555167 /nfs/dbraw/zinc/55/51/67/1427555167.db2.gz PNGRSFPCZSGGPY-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CCc1ccccc1C[NH+](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001731721201 1427790705 /nfs/dbraw/zinc/79/07/05/1427790705.db2.gz RHVDEZHRNHOCQN-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccccc1C[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001731721201 1427790708 /nfs/dbraw/zinc/79/07/08/1427790708.db2.gz RHVDEZHRNHOCQN-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccccc1C[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001731721201 1427790709 /nfs/dbraw/zinc/79/07/09/1427790709.db2.gz RHVDEZHRNHOCQN-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001731721595 1427791405 /nfs/dbraw/zinc/79/14/05/1427791405.db2.gz VIYCDFGXKAKTSA-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001731721595 1427791409 /nfs/dbraw/zinc/79/14/09/1427791409.db2.gz VIYCDFGXKAKTSA-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001731721595 1427791415 /nfs/dbraw/zinc/79/14/15/1427791415.db2.gz VIYCDFGXKAKTSA-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@H+]2CCCC2CCCC2)CCC1 ZINC001731829309 1428037052 /nfs/dbraw/zinc/03/70/52/1428037052.db2.gz PEWUHLDJMVRMJT-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H]([NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC001731985044 1428196201 /nfs/dbraw/zinc/19/62/01/1428196201.db2.gz DRHDRTUWIQADLS-QGZVFWFLSA-N 2 1 348.878 3.044 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC2CCC(C)(C)CC2)CCC1 ZINC001733725559 1429951683 /nfs/dbraw/zinc/95/16/83/1429951683.db2.gz LHAKTNUMSUISSU-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCC[NH+]2C)c1 ZINC001733773503 1430011981 /nfs/dbraw/zinc/01/19/81/1430011981.db2.gz IXMHCDITCMDKBY-ICSRJNTNSA-N 2 1 345.531 3.321 20 0 EGADMP Cc1cccc([C@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001733773503 1430011985 /nfs/dbraw/zinc/01/19/85/1430011985.db2.gz IXMHCDITCMDKBY-ICSRJNTNSA-N 2 1 345.531 3.321 20 0 EGADMP Cc1cccc([C@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC001733773503 1430011988 /nfs/dbraw/zinc/01/19/88/1430011988.db2.gz IXMHCDITCMDKBY-ICSRJNTNSA-N 2 1 345.531 3.321 20 0 EGADMP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001734041389 1437829875 /nfs/dbraw/zinc/82/98/75/1437829875.db2.gz ACFIMEJLRMHXMV-QGZVFWFLSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001734105142 1437891184 /nfs/dbraw/zinc/89/11/84/1437891184.db2.gz BJDJJMRPYUELEL-HXUWFJFHSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001734105142 1437891186 /nfs/dbraw/zinc/89/11/86/1437891186.db2.gz BJDJJMRPYUELEL-HXUWFJFHSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)C[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001734105142 1437891187 /nfs/dbraw/zinc/89/11/87/1437891187.db2.gz BJDJJMRPYUELEL-HXUWFJFHSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)C[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001734105142 1437891189 /nfs/dbraw/zinc/89/11/89/1437891189.db2.gz BJDJJMRPYUELEL-HXUWFJFHSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)[C@@H](C)c2ccccc2)CC1 ZINC001734274804 1438009336 /nfs/dbraw/zinc/00/93/36/1438009336.db2.gz RUCJTGWFXODFKL-KRWDZBQOSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001734274804 1438009337 /nfs/dbraw/zinc/00/93/37/1438009337.db2.gz RUCJTGWFXODFKL-KRWDZBQOSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001734274804 1438009338 /nfs/dbraw/zinc/00/93/38/1438009338.db2.gz RUCJTGWFXODFKL-KRWDZBQOSA-N 2 1 331.504 3.012 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001734343985 1438063608 /nfs/dbraw/zinc/06/36/08/1438063608.db2.gz NNOMZBQNRNHUMD-QZTJIDSGSA-N 2 1 347.547 3.470 20 0 EGADMP CC[N@@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)CC1CC2(CCC2)C1 ZINC001752219193 1440156284 /nfs/dbraw/zinc/15/62/84/1440156284.db2.gz MSDGOWMKTQHPPD-UHFFFAOYSA-N 2 1 349.563 3.127 20 0 EGADMP CCCCC[NH+]1CCC2(C[C@H]2NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001752426239 1440177079 /nfs/dbraw/zinc/17/70/79/1440177079.db2.gz ICGMTJSHQBGGQN-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001752427278 1440177477 /nfs/dbraw/zinc/17/74/77/1440177477.db2.gz OHRMDJIUSHZKEF-SFHVURJKSA-N 2 1 349.563 3.410 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001752439408 1440180629 /nfs/dbraw/zinc/18/06/29/1440180629.db2.gz DJJQARUSPHLSFM-UHFFFAOYSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC1CCCC1)C1CC1 ZINC001752520464 1440192470 /nfs/dbraw/zinc/19/24/70/1440192470.db2.gz YYKHXFHPPBVDFW-UXHICEINSA-N 2 1 349.563 3.314 20 0 EGADMP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001752766064 1440205600 /nfs/dbraw/zinc/20/56/00/1440205600.db2.gz OXQUBAWYDDIWQI-JTDSTZFVSA-N 2 1 341.515 3.016 20 0 EGADMP CCCCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001752785594 1440211246 /nfs/dbraw/zinc/21/12/46/1440211246.db2.gz CCWWRMRJMVXNCU-MOPGFXCFSA-N 2 1 337.552 3.127 20 0 EGADMP CCCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001752785594 1440211247 /nfs/dbraw/zinc/21/12/47/1440211247.db2.gz CCWWRMRJMVXNCU-MOPGFXCFSA-N 2 1 337.552 3.127 20 0 EGADMP CCCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001752785594 1440211248 /nfs/dbraw/zinc/21/12/48/1440211248.db2.gz CCWWRMRJMVXNCU-MOPGFXCFSA-N 2 1 337.552 3.127 20 0 EGADMP CCCCC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001752787223 1440211975 /nfs/dbraw/zinc/21/19/75/1440211975.db2.gz IZSVWJHDPKMJNJ-RBUKOAKNSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001752802316 1440215250 /nfs/dbraw/zinc/21/52/50/1440215250.db2.gz ZRLIFWPGFXLDEH-KRWDZBQOSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001752822921 1440221663 /nfs/dbraw/zinc/22/16/63/1440221663.db2.gz QPNLNUKRUFQVGZ-RTBURBONSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001752822919 1440221727 /nfs/dbraw/zinc/22/17/27/1440221727.db2.gz QPNLNUKRUFQVGZ-OALUTQOASA-N 2 1 337.552 3.412 20 0 EGADMP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001752836072 1440227657 /nfs/dbraw/zinc/22/76/57/1440227657.db2.gz KOFFSSXPALIUIP-WMZOPIPTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H](NC(=O)C[NH+](C)C1CCC1)[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001752836072 1440227658 /nfs/dbraw/zinc/22/76/58/1440227658.db2.gz KOFFSSXPALIUIP-WMZOPIPTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H](NC(=O)C[NH+](C)C1CCC1)[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001752836072 1440227659 /nfs/dbraw/zinc/22/76/59/1440227659.db2.gz KOFFSSXPALIUIP-WMZOPIPTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001752841711 1440230912 /nfs/dbraw/zinc/23/09/12/1440230912.db2.gz SINIVFQZJYMTQC-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCCC2CCC2)CC1 ZINC001752848345 1440232954 /nfs/dbraw/zinc/23/29/54/1440232954.db2.gz NUQNSEGELYBNKN-MHJFOBGBSA-N 2 1 349.563 3.457 20 0 EGADMP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001752963795 1440253721 /nfs/dbraw/zinc/25/37/21/1440253721.db2.gz QFHYWPZZVXFHTK-QUCCMNQESA-N 2 1 345.531 3.164 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC2CC2)C1)C1CCCCC1 ZINC001752973229 1440255496 /nfs/dbraw/zinc/25/54/96/1440255496.db2.gz GHKYTEZMQYNTFN-RBUKOAKNSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC2=CCCCC2)CC[N@H+]1C ZINC001753028351 1440271964 /nfs/dbraw/zinc/27/19/64/1440271964.db2.gz ZUOWMOBKQPZUGL-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCC[N@@H+]2CC2=CCCCC2)CC[NH+]1C ZINC001753028351 1440271965 /nfs/dbraw/zinc/27/19/65/1440271965.db2.gz ZUOWMOBKQPZUGL-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCC[N@H+]2CC2=CCCCC2)CC[NH+]1C ZINC001753028351 1440271966 /nfs/dbraw/zinc/27/19/66/1440271966.db2.gz ZUOWMOBKQPZUGL-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[C@H]2CCC[NH+]2CC2CCC2)C1 ZINC001753034406 1440274204 /nfs/dbraw/zinc/27/42/04/1440274204.db2.gz HJTDSULRCONXOP-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC[C@H]2CCC[N@@H+]2CC2CCC2)C1 ZINC001753034406 1440274205 /nfs/dbraw/zinc/27/42/05/1440274205.db2.gz HJTDSULRCONXOP-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC[C@H]2CCC[N@H+]2CC2CCC2)C1 ZINC001753034406 1440274206 /nfs/dbraw/zinc/27/42/06/1440274206.db2.gz HJTDSULRCONXOP-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)CCNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001753056089 1440281379 /nfs/dbraw/zinc/28/13/79/1440281379.db2.gz PGTMNMVBHZYHCS-YLJYHZDGSA-N 2 1 345.531 3.403 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001753056089 1440281380 /nfs/dbraw/zinc/28/13/80/1440281380.db2.gz PGTMNMVBHZYHCS-YLJYHZDGSA-N 2 1 345.531 3.403 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+](C)CCNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001753056089 1440281381 /nfs/dbraw/zinc/28/13/81/1440281381.db2.gz PGTMNMVBHZYHCS-YLJYHZDGSA-N 2 1 345.531 3.403 20 0 EGADMP CC(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001753120835 1440313722 /nfs/dbraw/zinc/31/37/22/1440313722.db2.gz ZUTRPAFUESBEOY-PMACEKPBSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001753120835 1440313723 /nfs/dbraw/zinc/31/37/23/1440313723.db2.gz ZUTRPAFUESBEOY-PMACEKPBSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001753135020 1440318573 /nfs/dbraw/zinc/31/85/73/1440318573.db2.gz HAWQRPWSKZAEDE-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CC1CCC1 ZINC001753146946 1440325042 /nfs/dbraw/zinc/32/50/42/1440325042.db2.gz NGKGEMFXVXWQPN-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)CC1CCC1 ZINC001753146946 1440325043 /nfs/dbraw/zinc/32/50/43/1440325043.db2.gz NGKGEMFXVXWQPN-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)CC1CCC1 ZINC001753146946 1440325044 /nfs/dbraw/zinc/32/50/44/1440325044.db2.gz NGKGEMFXVXWQPN-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CCC1=CCCCC1 ZINC001753295656 1440352195 /nfs/dbraw/zinc/35/21/95/1440352195.db2.gz ZWJPHXVINSNPSY-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)CCC1=CCCCC1 ZINC001753295656 1440352196 /nfs/dbraw/zinc/35/21/96/1440352196.db2.gz ZWJPHXVINSNPSY-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)CCC1=CCCCC1 ZINC001753295656 1440352197 /nfs/dbraw/zinc/35/21/97/1440352197.db2.gz ZWJPHXVINSNPSY-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001753337338 1440373307 /nfs/dbraw/zinc/37/33/07/1440373307.db2.gz LYKACFAWMUMTLS-RBUKOAKNSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001753337338 1440373308 /nfs/dbraw/zinc/37/33/08/1440373308.db2.gz LYKACFAWMUMTLS-RBUKOAKNSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001753337338 1440373309 /nfs/dbraw/zinc/37/33/09/1440373309.db2.gz LYKACFAWMUMTLS-RBUKOAKNSA-N 2 1 335.536 3.044 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001753359020 1440381480 /nfs/dbraw/zinc/38/14/80/1440381480.db2.gz DPFBFRRSSWWPSU-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001753359020 1440381481 /nfs/dbraw/zinc/38/14/81/1440381481.db2.gz DPFBFRRSSWWPSU-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001753359020 1440381482 /nfs/dbraw/zinc/38/14/82/1440381482.db2.gz DPFBFRRSSWWPSU-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001753361038 1440382743 /nfs/dbraw/zinc/38/27/43/1440382743.db2.gz VIWDHTAQEZFTEO-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001753459486 1440410041 /nfs/dbraw/zinc/41/00/41/1440410041.db2.gz OFMMXTHVOWYULI-QUCCMNQESA-N 2 1 345.531 3.321 20 0 EGADMP CCN(C(=O)CC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001753462277 1440411337 /nfs/dbraw/zinc/41/13/37/1440411337.db2.gz USGJDZVZHODTPB-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001753486464 1440417970 /nfs/dbraw/zinc/41/79/70/1440417970.db2.gz QVUDOCBDCQYMLC-XLIONFOSSA-N 2 1 345.531 3.136 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@](C)(C[NH2+]CC2=CCCCC2)C2CC2)CC[N@H+]1C ZINC001753523837 1440429047 /nfs/dbraw/zinc/42/90/47/1440429047.db2.gz RFQDFQABWHJHLR-MDKPJZGXSA-N 2 1 347.547 3.092 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@]1(C[NH2+]CC2CCCC2)CCCC[C@H]1C ZINC001753534909 1440432276 /nfs/dbraw/zinc/43/22/76/1440432276.db2.gz ABYARSJFYCWBJJ-YLJYHZDGSA-N 2 1 337.552 3.173 20 0 EGADMP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001753587672 1440441808 /nfs/dbraw/zinc/44/18/08/1440441808.db2.gz LOBQDVUSCKOGTO-CYVFAJCSSA-N 2 1 335.536 3.233 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCC(C)(C)C ZINC001753632110 1440452355 /nfs/dbraw/zinc/45/23/55/1440452355.db2.gz HLUPBVGGNZTAII-DLBZAZTESA-N 2 1 325.541 3.027 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCCC1 ZINC001753632401 1440452543 /nfs/dbraw/zinc/45/25/43/1440452543.db2.gz NIBOVWRQENCZPS-IEBWSBKVSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001753690123 1440466391 /nfs/dbraw/zinc/46/63/91/1440466391.db2.gz SVEVOKCKORMSSA-MJGOQNOKSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001753695836 1440467533 /nfs/dbraw/zinc/46/75/33/1440467533.db2.gz ZBWHIHYUMIQXKP-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1=CCCCC1 ZINC001753726077 1440474498 /nfs/dbraw/zinc/47/44/98/1440474498.db2.gz MAHIJFDRVJSDQE-PKOBYXMFSA-N 2 1 335.536 3.186 20 0 EGADMP C[C@H](C[NH2+]CC1CCCCC1)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001753729225 1440475301 /nfs/dbraw/zinc/47/53/01/1440475301.db2.gz IPQGJHRBQSKERW-YLJYHZDGSA-N 2 1 345.531 3.306 20 0 EGADMP C[N@@H+](CCC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1)CC1CCC1 ZINC001753819854 1440495395 /nfs/dbraw/zinc/49/53/95/1440495395.db2.gz GFLAETRTNDXQTG-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1)CC1CCC1 ZINC001753819854 1440495396 /nfs/dbraw/zinc/49/53/96/1440495396.db2.gz GFLAETRTNDXQTG-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1)CC1CCC1 ZINC001753819854 1440495397 /nfs/dbraw/zinc/49/53/97/1440495397.db2.gz GFLAETRTNDXQTG-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC1CCCCC1 ZINC001753839660 1440502321 /nfs/dbraw/zinc/50/23/21/1440502321.db2.gz YYRMBZBAXKCJOH-YTQUADARSA-N 2 1 337.552 3.027 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)CCN(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001753862699 1440512498 /nfs/dbraw/zinc/51/24/98/1440512498.db2.gz QSNKZONHQIOTKB-SFHVURJKSA-N 2 1 345.531 3.096 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC1CCCCC1 ZINC001754119916 1440542702 /nfs/dbraw/zinc/54/27/02/1440542702.db2.gz OMWOXARCSXZWTE-GHOSXJJBSA-N 2 1 335.536 3.092 20 0 EGADMP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001754273655 1440561993 /nfs/dbraw/zinc/56/19/93/1440561993.db2.gz AUNYFBKXSZFTAU-AZUAARDMSA-N 2 1 345.531 3.018 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cc(C)cc(C)c1 ZINC001754336892 1440586926 /nfs/dbraw/zinc/58/69/26/1440586926.db2.gz PHTOUWYRIFGDAZ-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1cc(C)cc(C)c1 ZINC001754336892 1440586927 /nfs/dbraw/zinc/58/69/27/1440586927.db2.gz PHTOUWYRIFGDAZ-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC001754336892 1440586928 /nfs/dbraw/zinc/58/69/28/1440586928.db2.gz PHTOUWYRIFGDAZ-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C)c1 ZINC001754337687 1440587377 /nfs/dbraw/zinc/58/73/77/1440587377.db2.gz YKCFPDJIVVJMBP-ROUUACIJSA-N 2 1 333.520 3.141 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001754337687 1440587378 /nfs/dbraw/zinc/58/73/78/1440587378.db2.gz YKCFPDJIVVJMBP-ROUUACIJSA-N 2 1 333.520 3.141 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001754337687 1440587379 /nfs/dbraw/zinc/58/73/79/1440587379.db2.gz YKCFPDJIVVJMBP-ROUUACIJSA-N 2 1 333.520 3.141 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)c1ccccc1 ZINC001754337871 1440587472 /nfs/dbraw/zinc/58/74/72/1440587472.db2.gz MBPKLSASHFNVJJ-IRXDYDNUSA-N 2 1 342.487 3.169 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001754337871 1440587473 /nfs/dbraw/zinc/58/74/73/1440587473.db2.gz MBPKLSASHFNVJJ-IRXDYDNUSA-N 2 1 342.487 3.169 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N(C)CCC[NH2+][C@H](C)c1ccccc1Cl ZINC001754416027 1440596761 /nfs/dbraw/zinc/59/67/61/1440596761.db2.gz IIODSORCPLYHHB-OAHLLOKOSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@H](C)c1ccc(C(C)C)cc1 ZINC001754500676 1440614149 /nfs/dbraw/zinc/61/41/49/1440614149.db2.gz QLFRXGPNSLKBQA-YLJYHZDGSA-N 2 1 345.531 3.403 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)c1ccc(C(C)C)cc1 ZINC001754500676 1440614150 /nfs/dbraw/zinc/61/41/50/1440614150.db2.gz QLFRXGPNSLKBQA-YLJYHZDGSA-N 2 1 345.531 3.403 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1[C@H](C)c1ccc(C(C)C)cc1 ZINC001754500676 1440614151 /nfs/dbraw/zinc/61/41/51/1440614151.db2.gz QLFRXGPNSLKBQA-YLJYHZDGSA-N 2 1 345.531 3.403 20 0 EGADMP CC1CCC(C[N@H+]2CC[C@H]2CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001754502529 1440614840 /nfs/dbraw/zinc/61/48/40/1440614840.db2.gz KPAOSKYPQPEMIZ-MHJFOBGBSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]([NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1)c1ccccc1F ZINC001754525240 1440620743 /nfs/dbraw/zinc/62/07/43/1440620743.db2.gz IHFJYXZUEBGMLQ-OAHLLOKOSA-N 2 1 349.494 3.103 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001754566156 1440635686 /nfs/dbraw/zinc/63/56/86/1440635686.db2.gz WUPLVRORUCUYDL-ICSRJNTNSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)C[N@H+](C)CC(C)(C)C)C1C[NH+](CCCC2CCCC2)C1 ZINC001754581813 1440638823 /nfs/dbraw/zinc/63/88/23/1440638823.db2.gz NCPCFRDBUQIBMN-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1C[NH+](CCCC2CCCC2)C1 ZINC001754581813 1440638824 /nfs/dbraw/zinc/63/88/24/1440638824.db2.gz NCPCFRDBUQIBMN-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C[C@H]1C ZINC001754605016 1440643119 /nfs/dbraw/zinc/64/31/19/1440643119.db2.gz VEECKOYJBSEPKI-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001754613572 1440644180 /nfs/dbraw/zinc/64/41/80/1440644180.db2.gz PASRJPDNODAMCG-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001754681463 1440662714 /nfs/dbraw/zinc/66/27/14/1440662714.db2.gz BHMPOXLLWXQIOJ-FQEVSTJZSA-N 2 1 337.552 3.269 20 0 EGADMP C[C@@]1(NC(=O)CCC[NH+]2CCCC2)CC[N@@H+](CC2CCCCC2)C1 ZINC001754682444 1440663229 /nfs/dbraw/zinc/66/32/29/1440663229.db2.gz LUBPWUAGYWMIJQ-HXUWFJFHSA-N 2 1 335.536 3.023 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001754685244 1440664543 /nfs/dbraw/zinc/66/45/43/1440664543.db2.gz HJEJYZOAYAROOK-HXUWFJFHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@H+](CCC2CCCCCC2)C1 ZINC001754685244 1440664544 /nfs/dbraw/zinc/66/45/44/1440664544.db2.gz HJEJYZOAYAROOK-HXUWFJFHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](CCC2CCCCCC2)C1 ZINC001754685244 1440664545 /nfs/dbraw/zinc/66/45/45/1440664545.db2.gz HJEJYZOAYAROOK-HXUWFJFHSA-N 2 1 337.552 3.268 20 0 EGADMP CC1CCC(C[NH2+]C[C@]2(C)CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001754697515 1440667300 /nfs/dbraw/zinc/66/73/00/1440667300.db2.gz QVZUGFHMQXIAKS-NGICGMGXSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001754733554 1440681029 /nfs/dbraw/zinc/68/10/29/1440681029.db2.gz MZQBFLRNHMDPMW-TZIWHRDSSA-N 2 1 345.531 3.308 20 0 EGADMP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001754733554 1440681030 /nfs/dbraw/zinc/68/10/30/1440681030.db2.gz MZQBFLRNHMDPMW-TZIWHRDSSA-N 2 1 345.531 3.308 20 0 EGADMP CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001754733554 1440681031 /nfs/dbraw/zinc/68/10/31/1440681031.db2.gz MZQBFLRNHMDPMW-TZIWHRDSSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001754733918 1440681419 /nfs/dbraw/zinc/68/14/19/1440681419.db2.gz QNZVQPRRCQMITB-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001754734263 1440681452 /nfs/dbraw/zinc/68/14/52/1440681452.db2.gz ULORVTXOHWRYTJ-KKHYBRAUSA-N 2 1 335.536 3.047 20 0 EGADMP CC(C)(C)CCC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC001754843531 1440698209 /nfs/dbraw/zinc/69/82/09/1440698209.db2.gz HFFUJJSKCAZGRJ-HDICACEKSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC(C)(C)C ZINC001754865495 1440702762 /nfs/dbraw/zinc/70/27/62/1440702762.db2.gz MTKHGPOCEHKVIP-IPMKNSEASA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC(C)(C)C ZINC001754865495 1440702763 /nfs/dbraw/zinc/70/27/63/1440702763.db2.gz MTKHGPOCEHKVIP-IPMKNSEASA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCC(C)(C)C ZINC001754865495 1440702764 /nfs/dbraw/zinc/70/27/64/1440702764.db2.gz MTKHGPOCEHKVIP-IPMKNSEASA-N 2 1 349.563 3.362 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001754873463 1440705937 /nfs/dbraw/zinc/70/59/37/1440705937.db2.gz KGWYMBYKTIGELK-YZPMEYCISA-N 2 1 349.563 3.243 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001754873463 1440705938 /nfs/dbraw/zinc/70/59/38/1440705938.db2.gz KGWYMBYKTIGELK-YZPMEYCISA-N 2 1 349.563 3.243 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001754873463 1440705939 /nfs/dbraw/zinc/70/59/39/1440705939.db2.gz KGWYMBYKTIGELK-YZPMEYCISA-N 2 1 349.563 3.243 20 0 EGADMP C[C@@H]([NH2+]CCC1CC1)c1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001754948830 1440714294 /nfs/dbraw/zinc/71/42/94/1440714294.db2.gz QCWMCBLAMIXQPS-DLBZAZTESA-N 2 1 343.515 3.095 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CCCC3)CC2)C1 ZINC001754956617 1440716596 /nfs/dbraw/zinc/71/65/96/1440716596.db2.gz WWRULWUUMJIJPF-MISYRCLQSA-N 2 1 349.563 3.173 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001755043624 1440739109 /nfs/dbraw/zinc/73/91/09/1440739109.db2.gz AKNOZBOHBUCCBZ-SJORKVTESA-N 2 1 349.494 3.009 20 0 EGADMP C[C@H](c1cccc(F)c1)[NH+](C)CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001755043624 1440739110 /nfs/dbraw/zinc/73/91/10/1440739110.db2.gz AKNOZBOHBUCCBZ-SJORKVTESA-N 2 1 349.494 3.009 20 0 EGADMP C[C@H](c1cccc(F)c1)[NH+](C)CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001755043624 1440739111 /nfs/dbraw/zinc/73/91/11/1440739111.db2.gz AKNOZBOHBUCCBZ-SJORKVTESA-N 2 1 349.494 3.009 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCC[NH+](C)CCCC(C)(C)C ZINC001755047067 1440741798 /nfs/dbraw/zinc/74/17/98/1440741798.db2.gz DFNMLFTYBPRFGX-HDICACEKSA-N 2 1 339.568 3.466 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[N@H+](C)CCCC(C)(C)C ZINC001755047067 1440741799 /nfs/dbraw/zinc/74/17/99/1440741799.db2.gz DFNMLFTYBPRFGX-HDICACEKSA-N 2 1 339.568 3.466 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[N@@H+](C)CCCC(C)(C)C ZINC001755047067 1440741800 /nfs/dbraw/zinc/74/18/00/1440741800.db2.gz DFNMLFTYBPRFGX-HDICACEKSA-N 2 1 339.568 3.466 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCc1ccc2c(c1)C[NH+](CCC(C)(C)C)C2 ZINC001755101452 1440752498 /nfs/dbraw/zinc/75/24/98/1440752498.db2.gz HGGYQZZMLGKKSR-UHFFFAOYSA-N 2 1 345.531 3.396 20 0 EGADMP CC[NH+](C)CCC(=O)NCc1ccc2c(c1)C[N@@H+](CCC(C)(C)C)C2 ZINC001755101452 1440752499 /nfs/dbraw/zinc/75/24/99/1440752499.db2.gz HGGYQZZMLGKKSR-UHFFFAOYSA-N 2 1 345.531 3.396 20 0 EGADMP CC[NH+](C)CCC(=O)NCc1ccc2c(c1)C[N@H+](CCC(C)(C)C)C2 ZINC001755101452 1440752500 /nfs/dbraw/zinc/75/25/00/1440752500.db2.gz HGGYQZZMLGKKSR-UHFFFAOYSA-N 2 1 345.531 3.396 20 0 EGADMP CC(C)CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001755128293 1440756625 /nfs/dbraw/zinc/75/66/25/1440756625.db2.gz ZWLPACCYFZMNKD-GOSISDBHSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C)([NH2+]CCCC(C)(C)C)CC1 ZINC001755134000 1440757729 /nfs/dbraw/zinc/75/77/29/1440757729.db2.gz KMVBTKIEFQPJOO-UHFFFAOYSA-N 2 1 325.541 3.125 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001755142308 1440761406 /nfs/dbraw/zinc/76/14/06/1440761406.db2.gz QJZLBVJCZRECQK-FUHWJXTLSA-N 2 1 348.535 3.235 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001755142308 1440761407 /nfs/dbraw/zinc/76/14/07/1440761407.db2.gz QJZLBVJCZRECQK-FUHWJXTLSA-N 2 1 348.535 3.235 20 0 EGADMP CCC[N@H+](CC)CC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001755185227 1440772828 /nfs/dbraw/zinc/77/28/28/1440772828.db2.gz ZIABTRONVZWLDV-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCC[N@@H+](CC)CC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001755185227 1440772829 /nfs/dbraw/zinc/77/28/29/1440772829.db2.gz ZIABTRONVZWLDV-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCC[NH+](CC)CC1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001755185227 1440772830 /nfs/dbraw/zinc/77/28/30/1440772830.db2.gz ZIABTRONVZWLDV-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCC[NH+](CC)CC1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001755185227 1440772831 /nfs/dbraw/zinc/77/28/31/1440772831.db2.gz ZIABTRONVZWLDV-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCC2=CCCCC2)C1 ZINC001755212214 1440783475 /nfs/dbraw/zinc/78/34/75/1440783475.db2.gz JUGLJTIKLLQZDU-MHJFOBGBSA-N 2 1 347.547 3.236 20 0 EGADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001755313217 1440814311 /nfs/dbraw/zinc/81/43/11/1440814311.db2.gz KNIJQJJEYZLLSI-IRXDYDNUSA-N 2 1 347.547 3.433 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CCCCC[NH+]1CC)c1ccccc1 ZINC001755367248 1440835100 /nfs/dbraw/zinc/83/51/00/1440835100.db2.gz DLBLLBDPZRRAAS-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1CCCCC[NH+]1CC)c1ccccc1 ZINC001755367248 1440835101 /nfs/dbraw/zinc/83/51/01/1440835101.db2.gz DLBLLBDPZRRAAS-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC)c1ccccc1 ZINC001755367248 1440835102 /nfs/dbraw/zinc/83/51/02/1440835102.db2.gz DLBLLBDPZRRAAS-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CC)c1ccccc1 ZINC001755367248 1440835103 /nfs/dbraw/zinc/83/51/03/1440835103.db2.gz DLBLLBDPZRRAAS-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001755382426 1440839811 /nfs/dbraw/zinc/83/98/11/1440839811.db2.gz NUBBVXIZIGXVMU-KRWDZBQOSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@H](CCC[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001755498342 1440862364 /nfs/dbraw/zinc/86/23/64/1440862364.db2.gz IPMOFLBGJZMASS-ZHALLVOQSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)CCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001755534313 1440868527 /nfs/dbraw/zinc/86/85/27/1440868527.db2.gz JGDNGLABQBDYSM-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001755534313 1440868528 /nfs/dbraw/zinc/86/85/28/1440868528.db2.gz JGDNGLABQBDYSM-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001755534313 1440868529 /nfs/dbraw/zinc/86/85/29/1440868529.db2.gz JGDNGLABQBDYSM-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[NH2+]CCC[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001755546638 1440870802 /nfs/dbraw/zinc/87/08/02/1440870802.db2.gz DZEIPRMTFKIPHD-WOJBJXKFSA-N 2 1 345.531 3.354 20 0 EGADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH2+]Cc1ccsc1 ZINC001755591251 1440881604 /nfs/dbraw/zinc/88/16/04/1440881604.db2.gz WMKAIQKLQPKDIJ-QAPCUYQASA-N 2 1 349.544 3.092 20 0 EGADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH2+]Cc1ccsc1 ZINC001755591252 1440881652 /nfs/dbraw/zinc/88/16/52/1440881652.db2.gz WMKAIQKLQPKDIJ-YJBOKZPZSA-N 2 1 349.544 3.092 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(CC)cc2)[C@H]1C ZINC001755662456 1440892867 /nfs/dbraw/zinc/89/28/67/1440892867.db2.gz DQHLPVLBEZSCPE-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CCC[N@H+]1CC1CC1 ZINC001755716907 1440905276 /nfs/dbraw/zinc/90/52/76/1440905276.db2.gz POKYVJNMSGYKOE-CRAIPNDOSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCC[NH+]1CC1CC1 ZINC001755716907 1440905277 /nfs/dbraw/zinc/90/52/77/1440905277.db2.gz POKYVJNMSGYKOE-CRAIPNDOSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCC[NH+]1CC1CC1 ZINC001755716907 1440905278 /nfs/dbraw/zinc/90/52/78/1440905278.db2.gz POKYVJNMSGYKOE-CRAIPNDOSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C[NH2+]CCCC(C)(C)C)C(C)(C)C ZINC001755840341 1440931354 /nfs/dbraw/zinc/93/13/54/1440931354.db2.gz XFTFEEOPGFDGAD-MRXNPFEDSA-N 2 1 327.557 3.273 20 0 EGADMP CCCCC[NH+]1CCC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001755843311 1440932378 /nfs/dbraw/zinc/93/23/78/1440932378.db2.gz CGVMURGZVAPZIX-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001755846262 1440933410 /nfs/dbraw/zinc/93/34/10/1440933410.db2.gz SHPWHUVIVKBZIO-DLBZAZTESA-N 2 1 348.535 3.090 20 0 EGADMP Cc1cccc2c1ccnc2-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684646 719623005 /nfs/dbraw/zinc/62/30/05/719623005.db2.gz VRRMGKGLVMEGOS-UHFFFAOYSA-N 2 1 349.482 3.215 20 0 EGADMP Cc1cccc2c1ccnc2-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684646 719623006 /nfs/dbraw/zinc/62/30/06/719623006.db2.gz VRRMGKGLVMEGOS-UHFFFAOYSA-N 2 1 349.482 3.215 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCc1ccccc1Cl ZINC000368182004 168321659 /nfs/dbraw/zinc/32/16/59/168321659.db2.gz SUOLTVJTXTXRBA-QRQLOZEOSA-N 2 1 336.907 3.456 20 0 EGADMP Fc1cccc(Cl)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051957305 214109824 /nfs/dbraw/zinc/10/98/24/214109824.db2.gz FVXAHAMGUDJBBG-UHFFFAOYSA-N 2 1 326.843 3.023 20 0 EGADMP CCOc1ccc(-c2nc(CN3CC[C@]4(CC[N@@H+](C)C4)C3)co2)cc1 ZINC000368351239 168344884 /nfs/dbraw/zinc/34/48/84/168344884.db2.gz CNDVOZAFITUCLW-FQEVSTJZSA-N 2 1 341.455 3.268 20 0 EGADMP Cc1ccc(-c2nnc([C@@H](C)N3CC[C@]4(CC[N@@H+](C)C4)C3)o2)cc1C ZINC000368354237 168346069 /nfs/dbraw/zinc/34/60/69/168346069.db2.gz HKRYEHQLIUCPAR-UZLBHIALSA-N 2 1 340.471 3.442 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000174350311 231185379 /nfs/dbraw/zinc/18/53/79/231185379.db2.gz BERBASCDWGTUKK-KRWDZBQOSA-N 2 1 326.488 3.082 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000178424864 232162975 /nfs/dbraw/zinc/16/29/75/232162975.db2.gz PXNMDYSBGQCMFU-IOASZLSFSA-N 2 1 325.294 3.310 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]CC3(C[NH+](C)C)CCCC3)c(C)n2n1 ZINC000183953391 235269579 /nfs/dbraw/zinc/26/95/79/235269579.db2.gz SVULYEWFHRXVTF-HNNXBMFYSA-N 2 1 329.492 3.119 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1Br ZINC000035043945 213005328 /nfs/dbraw/zinc/00/53/28/213005328.db2.gz ZBPFWGYYBFUMSF-LLVKDONJSA-N 2 1 327.266 3.203 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000130647078 223167219 /nfs/dbraw/zinc/16/72/19/223167219.db2.gz COYWAIYSNGWJHG-AWEZNQCLSA-N 2 1 348.878 3.044 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000130647078 223167220 /nfs/dbraw/zinc/16/72/20/223167220.db2.gz COYWAIYSNGWJHG-AWEZNQCLSA-N 2 1 348.878 3.044 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000072859338 216319532 /nfs/dbraw/zinc/31/95/32/216319532.db2.gz UFZFBXWFMWAMDI-LJQANCHMSA-N 2 1 326.488 3.263 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000072859338 216319536 /nfs/dbraw/zinc/31/95/36/216319536.db2.gz UFZFBXWFMWAMDI-LJQANCHMSA-N 2 1 326.488 3.263 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000072859338 216319538 /nfs/dbraw/zinc/31/95/38/216319538.db2.gz UFZFBXWFMWAMDI-LJQANCHMSA-N 2 1 326.488 3.263 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000194985789 240794063 /nfs/dbraw/zinc/79/40/63/240794063.db2.gz WCNXCDILGJDYEJ-LMMKCTJWSA-N 2 1 341.503 3.242 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3Br)C[C@@H]21 ZINC000230048906 242224962 /nfs/dbraw/zinc/22/49/62/242224962.db2.gz GZOWVNBQQJGZDD-VZJVUDMVSA-N 2 1 327.241 3.147 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3Br)C[C@@H]21 ZINC000230048906 242224968 /nfs/dbraw/zinc/22/49/68/242224968.db2.gz GZOWVNBQQJGZDD-VZJVUDMVSA-N 2 1 327.241 3.147 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(F)cc3Br)C[C@@H]21 ZINC000230047682 242225051 /nfs/dbraw/zinc/22/50/51/242225051.db2.gz BGMJKPVFTDEEDV-VZJVUDMVSA-N 2 1 327.241 3.147 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(F)cc3Br)C[C@@H]21 ZINC000230047682 242225055 /nfs/dbraw/zinc/22/50/55/242225055.db2.gz BGMJKPVFTDEEDV-VZJVUDMVSA-N 2 1 327.241 3.147 20 0 EGADMP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000262648229 245093880 /nfs/dbraw/zinc/09/38/80/245093880.db2.gz KPMDUCPZTODJOQ-FUHWJXTLSA-N 2 1 343.496 3.010 20 0 EGADMP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000262711589 245137373 /nfs/dbraw/zinc/13/73/73/245137373.db2.gz QPJIMTIQYFMMMT-JXFKEZNVSA-N 2 1 331.504 3.052 20 0 EGADMP COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000261772280 284291014 /nfs/dbraw/zinc/29/10/14/284291014.db2.gz DVGSXEILVBRZGJ-HNNXBMFYSA-N 2 1 345.270 3.139 20 0 EGADMP COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000261772280 284291016 /nfs/dbraw/zinc/29/10/16/284291016.db2.gz DVGSXEILVBRZGJ-HNNXBMFYSA-N 2 1 345.270 3.139 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000110965802 284371290 /nfs/dbraw/zinc/37/12/90/284371290.db2.gz VNPGDZDSTXOZDF-DMUMMCEESA-N 2 1 345.531 3.162 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000110965802 284371291 /nfs/dbraw/zinc/37/12/91/284371291.db2.gz VNPGDZDSTXOZDF-DMUMMCEESA-N 2 1 345.531 3.162 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000110965802 284371292 /nfs/dbraw/zinc/37/12/92/284371292.db2.gz VNPGDZDSTXOZDF-DMUMMCEESA-N 2 1 345.531 3.162 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000110965802 284371293 /nfs/dbraw/zinc/37/12/93/284371293.db2.gz VNPGDZDSTXOZDF-DMUMMCEESA-N 2 1 345.531 3.162 20 0 EGADMP CC[N@H+](CC(=O)N(C1CC1)C1CCC(C)CC1)[C@H]1CCC[NH2+]CC1 ZINC000345185303 284381871 /nfs/dbraw/zinc/38/18/71/284381871.db2.gz ZRRMVZKCKPLGHJ-ADKAHSJRSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](CC(=O)N(C1CC1)C1CCC(C)CC1)[C@H]1CCC[NH2+]CC1 ZINC000345185303 284381872 /nfs/dbraw/zinc/38/18/72/284381872.db2.gz ZRRMVZKCKPLGHJ-ADKAHSJRSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1 ZINC000265302146 247386026 /nfs/dbraw/zinc/38/60/26/247386026.db2.gz DEAFIKMCVFXYNP-UHFFFAOYSA-N 2 1 343.862 3.425 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@H]2CCC[NH+](C)C2)cc1 ZINC000266201674 248168703 /nfs/dbraw/zinc/16/87/03/248168703.db2.gz WPPUIEKZUDETON-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000266201674 248168705 /nfs/dbraw/zinc/16/87/05/248168705.db2.gz WPPUIEKZUDETON-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000266201674 248168708 /nfs/dbraw/zinc/16/87/08/248168708.db2.gz WPPUIEKZUDETON-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1O ZINC000093336848 218215296 /nfs/dbraw/zinc/21/52/96/218215296.db2.gz LAWIUVHUWKHYJO-IBGZPJMESA-N 2 1 340.467 3.355 20 0 EGADMP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1O ZINC000093336848 218215298 /nfs/dbraw/zinc/21/52/98/218215298.db2.gz LAWIUVHUWKHYJO-IBGZPJMESA-N 2 1 340.467 3.355 20 0 EGADMP COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1O ZINC000093336848 218215301 /nfs/dbraw/zinc/21/53/01/218215301.db2.gz LAWIUVHUWKHYJO-IBGZPJMESA-N 2 1 340.467 3.355 20 0 EGADMP COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000093336848 218215303 /nfs/dbraw/zinc/21/53/03/218215303.db2.gz LAWIUVHUWKHYJO-IBGZPJMESA-N 2 1 340.467 3.355 20 0 EGADMP COCCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683748 218242732 /nfs/dbraw/zinc/24/27/32/218242732.db2.gz NDKPEFZXFVDIGB-GOSISDBHSA-N 2 1 332.488 3.020 20 0 EGADMP COCCOc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683748 218242735 /nfs/dbraw/zinc/24/27/35/218242735.db2.gz NDKPEFZXFVDIGB-GOSISDBHSA-N 2 1 332.488 3.020 20 0 EGADMP CCOCCOCc1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000268794517 252246247 /nfs/dbraw/zinc/24/62/47/252246247.db2.gz FLFCDGRDASKEGC-FXAWDEMLSA-N 2 1 334.504 3.060 20 0 EGADMP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268817108 252268921 /nfs/dbraw/zinc/26/89/21/252268921.db2.gz GMFSBFRJSQITBU-CABCVRRESA-N 2 1 347.528 3.225 20 0 EGADMP CCCOc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000268862027 252310570 /nfs/dbraw/zinc/31/05/70/252310570.db2.gz DWZRIZIWDGUKAY-IEBWSBKVSA-N 2 1 334.504 3.363 20 0 EGADMP COc1ccc(Br)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000130917061 533259072 /nfs/dbraw/zinc/25/90/72/533259072.db2.gz JYOHPVAMDPKLAZ-PEYYIBSZSA-N 2 1 339.277 3.017 20 0 EGADMP COc1ccc(Br)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000130917061 533259079 /nfs/dbraw/zinc/25/90/79/533259079.db2.gz JYOHPVAMDPKLAZ-PEYYIBSZSA-N 2 1 339.277 3.017 20 0 EGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cncs1 ZINC000268830992 141059747 /nfs/dbraw/zinc/05/97/47/141059747.db2.gz QUJFGHYSHAKQRG-WMZOPIPTSA-N 2 1 344.528 3.173 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2ccccc2)[C@H](C)C1 ZINC000268861352 141059773 /nfs/dbraw/zinc/05/97/73/141059773.db2.gz SCSKJTSWNSCFIY-YZGWKJHDSA-N 2 1 334.504 3.101 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000338055620 141083150 /nfs/dbraw/zinc/08/31/50/141083150.db2.gz UPVDUBWNHKTKMM-GOSISDBHSA-N 2 1 345.531 3.380 20 0 EGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000338131471 141099453 /nfs/dbraw/zinc/09/94/53/141099453.db2.gz NOPHZCZSKBDPME-GOSISDBHSA-N 2 1 325.456 3.092 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000338131471 141099455 /nfs/dbraw/zinc/09/94/55/141099455.db2.gz NOPHZCZSKBDPME-GOSISDBHSA-N 2 1 325.456 3.092 20 0 EGADMP COC1CC[NH+](C2(C[NH2+]CCCc3cnccc3C)CCCC2)CC1 ZINC000348038737 141235256 /nfs/dbraw/zinc/23/52/56/141235256.db2.gz JGOVCXSKGZRPKD-UHFFFAOYSA-N 2 1 345.531 3.336 20 0 EGADMP CCOC(=O)c1coc(CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000354636336 141317914 /nfs/dbraw/zinc/31/79/14/141317914.db2.gz SGNYHBLJXSGWSD-GJZGRUSLSA-N 2 1 334.460 3.199 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000354678663 141320113 /nfs/dbraw/zinc/32/01/13/141320113.db2.gz UUYYXAXKVKSTJC-OTWHNJEPSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000359634290 141392908 /nfs/dbraw/zinc/39/29/08/141392908.db2.gz NBAIZJVTUCGJCM-DOTOQJQBSA-N 2 1 344.421 3.334 20 0 EGADMP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000359634290 141392912 /nfs/dbraw/zinc/39/29/12/141392912.db2.gz NBAIZJVTUCGJCM-DOTOQJQBSA-N 2 1 344.421 3.334 20 0 EGADMP CN(C)c1cc[nH+]cc1CNC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000185222573 144107107 /nfs/dbraw/zinc/10/71/07/144107107.db2.gz LOAIZXWUMOFFEW-NRFANRHFSA-N 2 1 338.499 3.148 20 0 EGADMP C[C@@H]1C[C@@H](NCc2ccccc2OCc2cccnc2)CC[N@H+]1C ZINC000344624500 144201141 /nfs/dbraw/zinc/20/11/41/144201141.db2.gz IXUGBKKYTPRGDI-APWZRJJASA-N 2 1 325.456 3.233 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2cccnc2)CCN1C ZINC000344624500 144201143 /nfs/dbraw/zinc/20/11/43/144201143.db2.gz IXUGBKKYTPRGDI-APWZRJJASA-N 2 1 325.456 3.233 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C[C@H]12 ZINC000351478913 144267187 /nfs/dbraw/zinc/26/71/87/144267187.db2.gz PWAPMIBTAAJSAE-YSIASYRMSA-N 2 1 335.451 3.108 20 0 EGADMP Cc1[nH]c2ccccc2c1C1=CC[N@@H+](C[C@H](O)CN(C)C2CC2)CC1 ZINC000351715253 144295327 /nfs/dbraw/zinc/29/53/27/144295327.db2.gz IERCKCNJOJFMLO-GOSISDBHSA-N 2 1 339.483 3.021 20 0 EGADMP C[C@H](CN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C[NH+]1CCCC1 ZINC000677806391 549335319 /nfs/dbraw/zinc/33/53/19/549335319.db2.gz ZBGVMYZFMGSLFM-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](C[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1)C[NH+]1CCCC1 ZINC000677806391 549335323 /nfs/dbraw/zinc/33/53/23/549335323.db2.gz ZBGVMYZFMGSLFM-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000361094559 292197893 /nfs/dbraw/zinc/19/78/93/292197893.db2.gz CVPMYCIHYIOJRN-RBUKOAKNSA-N 2 1 332.488 3.452 20 0 EGADMP Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000361094559 292197898 /nfs/dbraw/zinc/19/78/98/292197898.db2.gz CVPMYCIHYIOJRN-RBUKOAKNSA-N 2 1 332.488 3.452 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000341298219 155233687 /nfs/dbraw/zinc/23/36/87/155233687.db2.gz YWYGAZRHZCLTAN-GOEBONIOSA-N 2 1 349.906 3.017 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC[N@H+]1C ZINC000341298219 155233691 /nfs/dbraw/zinc/23/36/91/155233691.db2.gz YWYGAZRHZCLTAN-GOEBONIOSA-N 2 1 349.906 3.017 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000119861274 152233772 /nfs/dbraw/zinc/23/37/72/152233772.db2.gz QRMJVIVPLJKPLN-FLXSYLCISA-N 2 1 335.536 3.017 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119861274 152233774 /nfs/dbraw/zinc/23/37/74/152233774.db2.gz QRMJVIVPLJKPLN-FLXSYLCISA-N 2 1 335.536 3.017 20 0 EGADMP C[N@@H+](Cc1ccc(F)cc1F)C1CCN(CCc2ccccn2)CC1 ZINC000120672374 152291638 /nfs/dbraw/zinc/29/16/38/152291638.db2.gz DEKSIJKSTSGGJT-UHFFFAOYSA-N 2 1 345.437 3.499 20 0 EGADMP C[N@@H+](CCC[NH2+]C1CCN(Cc2cccnc2)CC1)C1CCCCC1 ZINC000120788413 152300528 /nfs/dbraw/zinc/30/05/28/152300528.db2.gz YZRAZVZCRGFZST-UHFFFAOYSA-N 3 1 344.547 3.290 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)CC1 ZINC000191533117 153203365 /nfs/dbraw/zinc/20/33/65/153203365.db2.gz LGUNPRHBBNSKCG-UHFFFAOYSA-N 2 1 347.894 3.193 20 0 EGADMP CCS[C@H]1CC[C@@H]([N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191518505 153203596 /nfs/dbraw/zinc/20/35/96/153203596.db2.gz GHFFHFIPLASAME-MSOLQXFVSA-N 2 1 327.582 3.009 20 0 EGADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195135827 153382467 /nfs/dbraw/zinc/38/24/67/153382467.db2.gz KQAPCBTWXPHOKB-SJLPKXTDSA-N 2 1 332.488 3.218 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(SC)cc1OC ZINC000322855785 154170819 /nfs/dbraw/zinc/17/08/19/154170819.db2.gz RUOAPRCFPMYZGR-GJZGRUSLSA-N 2 1 336.501 3.142 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(SC)cc1OC ZINC000322855785 154170822 /nfs/dbraw/zinc/17/08/22/154170822.db2.gz RUOAPRCFPMYZGR-GJZGRUSLSA-N 2 1 336.501 3.142 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000336888064 154231666 /nfs/dbraw/zinc/23/16/66/154231666.db2.gz JHZHKDOCWZKCIO-SFHVURJKSA-N 2 1 337.471 3.486 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000336888064 154231670 /nfs/dbraw/zinc/23/16/70/154231670.db2.gz JHZHKDOCWZKCIO-SFHVURJKSA-N 2 1 337.471 3.486 20 0 EGADMP C[C@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)[N@H+]1CCCC[C@@H]1C ZINC000337347063 154297719 /nfs/dbraw/zinc/29/77/19/154297719.db2.gz XDWYFGPERWRORJ-JKSUJKDBSA-N 2 1 332.492 3.133 20 0 EGADMP C[NH+](C)[C@@H](CNc1cc[nH+]cc1Br)c1cccs1 ZINC000339968931 155055569 /nfs/dbraw/zinc/05/55/69/155055569.db2.gz KYRXTHAXTNTBBX-LBPRGKRZSA-N 2 1 326.263 3.042 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000346816489 156148180 /nfs/dbraw/zinc/14/81/80/156148180.db2.gz TYAXLPDTKKTWDN-INIZCTEOSA-N 2 1 349.494 3.027 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000346816489 156148183 /nfs/dbraw/zinc/14/81/83/156148183.db2.gz TYAXLPDTKKTWDN-INIZCTEOSA-N 2 1 349.494 3.027 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3F)C[C@@H]21 ZINC000346821619 156152451 /nfs/dbraw/zinc/15/24/51/156152451.db2.gz IZLYCRMUTKPLFS-XKGZKEIXSA-N 2 1 325.431 3.447 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000347003935 156241441 /nfs/dbraw/zinc/24/14/41/156241441.db2.gz ADNOFTRYDIUPCV-IRXDYDNUSA-N 2 1 325.456 3.220 20 0 EGADMP CC[N@@H+](Cc1ccncc1)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000348932725 156292009 /nfs/dbraw/zinc/29/20/09/156292009.db2.gz GOIMOCYJVOFXDI-UHFFFAOYSA-N 2 1 338.499 3.246 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000349001791 156313208 /nfs/dbraw/zinc/31/32/08/156313208.db2.gz PEEJSIRWHGZGDX-XLAORIBOSA-N 2 1 337.552 3.265 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H](NCc2nc(C(C)C)cs2)[C@@H](C)C1 ZINC000362130665 157034288 /nfs/dbraw/zinc/03/42/88/157034288.db2.gz SDRWZEVDHJXJGQ-JKSUJKDBSA-N 2 1 339.549 3.493 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCC(C)CC2)cc1)C(C)C ZINC000110171200 162120512 /nfs/dbraw/zinc/12/05/12/162120512.db2.gz CERNVSVLEFRUPT-UHFFFAOYSA-N 2 1 345.531 3.379 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3N(C)C)CC2)C[C@H](C)O1 ZINC000112686464 162185672 /nfs/dbraw/zinc/18/56/72/162185672.db2.gz YMFYDXQWABVHKO-HDICACEKSA-N 2 1 345.531 3.074 20 0 EGADMP COC[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000131140525 162392366 /nfs/dbraw/zinc/39/23/66/162392366.db2.gz IHMQGAJMJUYQIK-RCBQFDQVSA-N 2 1 330.394 3.465 20 0 EGADMP CC[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248397621 163000439 /nfs/dbraw/zinc/00/04/39/163000439.db2.gz IFAXQHDGVUWBHR-AYWYSENESA-N 2 1 330.516 3.285 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(F)cc(F)c1 ZINC000248434017 163005468 /nfs/dbraw/zinc/00/54/68/163005468.db2.gz DQDLRPHKEMAFQD-VBKZILBWSA-N 2 1 346.421 3.382 20 0 EGADMP CCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccn1 ZINC000248442086 163005735 /nfs/dbraw/zinc/00/57/35/163005735.db2.gz KNTYBRSABASAHA-WOJBJXKFSA-N 2 1 339.483 3.279 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)c(F)c1 ZINC000248445492 163005767 /nfs/dbraw/zinc/00/57/67/163005767.db2.gz MNRYUNJLXBFQHX-RDTXWAMCSA-N 2 1 346.421 3.382 20 0 EGADMP C[C@@H](C[C@H](O)c1ccco1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000305737719 163080327 /nfs/dbraw/zinc/08/03/27/163080327.db2.gz MMXOHDYKBIGFQP-LPHOPBHVSA-N 2 1 328.456 3.346 20 0 EGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000337273864 163190511 /nfs/dbraw/zinc/19/05/11/163190511.db2.gz PHZOUHZYIBAIAR-FQEVSTJZSA-N 2 1 332.488 3.162 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000337273864 163190515 /nfs/dbraw/zinc/19/05/15/163190515.db2.gz PHZOUHZYIBAIAR-FQEVSTJZSA-N 2 1 332.488 3.162 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(F)cccc1Br ZINC000337950423 163194568 /nfs/dbraw/zinc/19/45/68/163194568.db2.gz RTXPSIVHNBPHPG-UHFFFAOYSA-N 2 1 326.213 3.273 20 0 EGADMP COC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1cccc(C(F)(F)F)c1 ZINC000341838899 163722984 /nfs/dbraw/zinc/72/29/84/163722984.db2.gz INNSGNXUHPWOAN-OAHLLOKOSA-N 2 1 327.350 3.188 20 0 EGADMP COCc1cccc(OCC2(C[N@@H+](C)[C@H]3CCN(C)[C@H](C)C3)CC2)c1 ZINC000354795516 166034033 /nfs/dbraw/zinc/03/40/33/166034033.db2.gz WXCGHUKMCVZPOX-MJGOQNOKSA-N 2 1 346.515 3.407 20 0 EGADMP COCc1cccc(OCC2(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)CC2)c1 ZINC000354795516 166034035 /nfs/dbraw/zinc/03/40/35/166034035.db2.gz WXCGHUKMCVZPOX-MJGOQNOKSA-N 2 1 346.515 3.407 20 0 EGADMP COCc1cccc(OCC2(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)CC2)c1 ZINC000354795516 166034037 /nfs/dbraw/zinc/03/40/37/166034037.db2.gz WXCGHUKMCVZPOX-MJGOQNOKSA-N 2 1 346.515 3.407 20 0 EGADMP COCc1cccc(OCC2(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1 ZINC000354795516 166034039 /nfs/dbraw/zinc/03/40/39/166034039.db2.gz WXCGHUKMCVZPOX-MJGOQNOKSA-N 2 1 346.515 3.407 20 0 EGADMP COCc1cccc(OCC2(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c1 ZINC000354795516 166034042 /nfs/dbraw/zinc/03/40/42/166034042.db2.gz WXCGHUKMCVZPOX-MJGOQNOKSA-N 2 1 346.515 3.407 20 0 EGADMP CCCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000343999183 164079362 /nfs/dbraw/zinc/07/93/62/164079362.db2.gz FJYPQLJYXYHEDC-RBUKOAKNSA-N 2 1 331.504 3.095 20 0 EGADMP Fc1ccc2c(c1)[C@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CCC2 ZINC000344181779 164121986 /nfs/dbraw/zinc/12/19/86/164121986.db2.gz ZRBAFWPYMWTYNE-LJQANCHMSA-N 2 1 332.463 3.438 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCOC4(CCC4)C3)sc2C1 ZINC000344331788 164158347 /nfs/dbraw/zinc/15/83/47/164158347.db2.gz BEYMFWAXQAGRMP-AWEZNQCLSA-N 2 1 335.517 3.101 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCOC4(CCC4)C3)sc2C1 ZINC000344331788 164158348 /nfs/dbraw/zinc/15/83/48/164158348.db2.gz BEYMFWAXQAGRMP-AWEZNQCLSA-N 2 1 335.517 3.101 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCCCS3)sc2C1 ZINC000344353105 164162302 /nfs/dbraw/zinc/16/23/02/164162302.db2.gz JDCURXJRZUYDBP-CYBMUJFWSA-N 2 1 325.547 3.285 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCCCS3)sc2C1 ZINC000344353105 164162303 /nfs/dbraw/zinc/16/23/03/164162303.db2.gz JDCURXJRZUYDBP-CYBMUJFWSA-N 2 1 325.547 3.285 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCO[C@@H]2CCCC[C@@H]2C)C1 ZINC000350157076 165013784 /nfs/dbraw/zinc/01/37/84/165013784.db2.gz RBJAOCJNBKAJGT-IPMKNSEASA-N 2 1 326.525 3.014 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000352051537 165211378 /nfs/dbraw/zinc/21/13/78/165211378.db2.gz CMXXUCNAWMVDPO-RLLQIKCJSA-N 2 1 345.531 3.322 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+](C)C2CCCC2)cc1)C1CC1 ZINC000355211019 166134926 /nfs/dbraw/zinc/13/49/26/166134926.db2.gz TYUKZJAICHOXOD-UHFFFAOYSA-N 2 1 343.515 3.275 20 0 EGADMP CC[N@H+](CCC1CC[NH+](Cc2ccoc2C(=O)OC)CC1)CC1CC1 ZINC000355903100 166342813 /nfs/dbraw/zinc/34/28/13/166342813.db2.gz SPCYWNWZRFSKLN-UHFFFAOYSA-N 2 1 348.487 3.400 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccoc2C(=O)OC)CC1)CC1CC1 ZINC000355903100 166342814 /nfs/dbraw/zinc/34/28/14/166342814.db2.gz SPCYWNWZRFSKLN-UHFFFAOYSA-N 2 1 348.487 3.400 20 0 EGADMP C[N@H+]1CCN(CCC[NH2+]C[C@@H]2CC=CCC2)[C@@H](c2ccccc2)C1 ZINC000359080017 167061951 /nfs/dbraw/zinc/06/19/51/167061951.db2.gz DCUDWHJAQIBFRZ-TZIWHRDSSA-N 2 1 327.516 3.311 20 0 EGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccccc2)C2CCCC2)C1 ZINC000359369574 167138580 /nfs/dbraw/zinc/13/85/80/167138580.db2.gz HRDXGCAJTNDDTH-UXHICEINSA-N 2 1 343.515 3.095 20 0 EGADMP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000359743836 167220249 /nfs/dbraw/zinc/22/02/49/167220249.db2.gz OKJPPOMUJRUUAW-WMLDXEAASA-N 2 1 339.911 3.179 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000359743836 167220252 /nfs/dbraw/zinc/22/02/52/167220252.db2.gz OKJPPOMUJRUUAW-WMLDXEAASA-N 2 1 339.911 3.179 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000360087896 167264441 /nfs/dbraw/zinc/26/44/41/167264441.db2.gz JTZIQVODQGFJSV-CABCVRRESA-N 2 1 344.425 3.413 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000360087896 167264448 /nfs/dbraw/zinc/26/44/48/167264448.db2.gz JTZIQVODQGFJSV-CABCVRRESA-N 2 1 344.425 3.413 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000360087896 167264451 /nfs/dbraw/zinc/26/44/51/167264451.db2.gz JTZIQVODQGFJSV-CABCVRRESA-N 2 1 344.425 3.413 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000365866811 168053211 /nfs/dbraw/zinc/05/32/11/168053211.db2.gz YHGBXVVWJQUCFQ-GOSISDBHSA-N 2 1 334.479 3.070 20 0 EGADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000366919447 168157006 /nfs/dbraw/zinc/15/70/06/168157006.db2.gz CPVPZTORJNYYTJ-AWEZNQCLSA-N 2 1 339.361 3.351 20 0 EGADMP CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367202461 168192143 /nfs/dbraw/zinc/19/21/43/168192143.db2.gz ZXRAMXUJFTYXTI-SFHVURJKSA-N 2 1 330.472 3.099 20 0 EGADMP CCOC(=O)[C@H](c1ccccc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367202461 168192144 /nfs/dbraw/zinc/19/21/44/168192144.db2.gz ZXRAMXUJFTYXTI-SFHVURJKSA-N 2 1 330.472 3.099 20 0 EGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCCCF)CC2)CC1 ZINC000367463186 168229489 /nfs/dbraw/zinc/22/94/89/168229489.db2.gz JYPHKHVMQKOPRY-UHFFFAOYSA-N 2 1 327.532 3.254 20 0 EGADMP C[N@H+](CCCCCF)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367463186 168229492 /nfs/dbraw/zinc/22/94/92/168229492.db2.gz JYPHKHVMQKOPRY-UHFFFAOYSA-N 3 1 327.532 3.254 20 0 EGADMP C[N@@H+](CCCCCF)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367463186 168229494 /nfs/dbraw/zinc/22/94/94/168229494.db2.gz JYPHKHVMQKOPRY-UHFFFAOYSA-N 3 1 327.532 3.254 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000367532629 168238241 /nfs/dbraw/zinc/23/82/41/168238241.db2.gz CHNGCMPBCNIUAK-VCWRXUFXSA-N 2 1 349.563 3.111 20 0 EGADMP COc1c(C)cc([C@H](C)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000367589670 168245631 /nfs/dbraw/zinc/24/56/31/168245631.db2.gz QFQIFZRKRNSBPF-IMJJTQAJSA-N 2 1 338.879 3.171 20 0 EGADMP COc1c(C)cc([C@H](C)[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)cc1Cl ZINC000367589670 168245632 /nfs/dbraw/zinc/24/56/32/168245632.db2.gz QFQIFZRKRNSBPF-IMJJTQAJSA-N 2 1 338.879 3.171 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2COc3ccccc3[C@H]2O)cc1 ZINC000367997175 168293681 /nfs/dbraw/zinc/29/36/81/168293681.db2.gz KTLCGWIPUHFUMN-ONTRVFCTSA-N 2 1 349.434 3.326 20 0 EGADMP COCCCN1CCC([NH2+][C@@H](C)c2cnc3ccsc3c2)CC1 ZINC000159186105 225166359 /nfs/dbraw/zinc/16/63/59/225166359.db2.gz HUKIIDYRFLKPBS-AWEZNQCLSA-N 2 1 333.501 3.448 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cnc3ccsc3c2)CC1 ZINC000159186105 225166362 /nfs/dbraw/zinc/16/63/62/225166362.db2.gz HUKIIDYRFLKPBS-AWEZNQCLSA-N 2 1 333.501 3.448 20 0 EGADMP C[C@H]1C[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000166275783 226153349 /nfs/dbraw/zinc/15/33/49/226153349.db2.gz KXEZRBIIHMNXMG-OXJNMPFZSA-N 2 1 345.506 3.047 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@@H](CC)[C@H](O)c2c(F)cccc2F)CC1 ZINC000271652620 266701726 /nfs/dbraw/zinc/70/17/26/266701726.db2.gz BPMULISWJCPGAJ-WMZOPIPTSA-N 2 1 326.431 3.241 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000273609162 267067767 /nfs/dbraw/zinc/06/77/67/267067767.db2.gz VFSRGMHIMBCUOZ-IBGZPJMESA-N 2 1 335.923 3.335 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(Cl)cn3)CC2)nc(C)[nH+]1 ZINC000274748497 267281257 /nfs/dbraw/zinc/28/12/57/267281257.db2.gz BDCNRWBHJFZLOM-ZDUSSCGKSA-N 2 1 345.878 3.461 20 0 EGADMP Cc1ncsc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274807609 267290564 /nfs/dbraw/zinc/29/05/64/267290564.db2.gz HBQZNILIBKTBPK-MAUKXSAKSA-N 2 1 329.513 3.494 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCC(C)(C)C ZINC000274854393 267297715 /nfs/dbraw/zinc/29/77/15/267297715.db2.gz RSXBZQIJLOSUME-IEBWSBKVSA-N 2 1 345.531 3.039 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCC(C)(C)C ZINC000274854393 267297717 /nfs/dbraw/zinc/29/77/17/267297717.db2.gz RSXBZQIJLOSUME-IEBWSBKVSA-N 2 1 345.531 3.039 20 0 EGADMP C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274895959 267302769 /nfs/dbraw/zinc/30/27/69/267302769.db2.gz KHJCJVLGWFKDER-LRQRDZAKSA-N 2 1 342.458 3.359 20 0 EGADMP C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274895959 267302771 /nfs/dbraw/zinc/30/27/71/267302771.db2.gz KHJCJVLGWFKDER-LRQRDZAKSA-N 2 1 342.458 3.359 20 0 EGADMP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278376461 268000115 /nfs/dbraw/zinc/00/01/15/268000115.db2.gz DWDSVMAGISSTHW-WIYYLYMNSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000278376461 268000116 /nfs/dbraw/zinc/00/01/16/268000116.db2.gz DWDSVMAGISSTHW-WIYYLYMNSA-N 2 1 341.543 3.361 20 0 EGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278460912 268018489 /nfs/dbraw/zinc/01/84/89/268018489.db2.gz JCMPRIULDNIWBT-OXQOHEQNSA-N 2 1 332.488 3.163 20 0 EGADMP COc1ccc(CC[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278489789 268025184 /nfs/dbraw/zinc/02/51/84/268025184.db2.gz KXXYZQFMGVCEIB-QZTJIDSGSA-N 2 1 334.504 3.107 20 0 EGADMP COc1ccc(CC[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278489789 268025185 /nfs/dbraw/zinc/02/51/85/268025185.db2.gz KXXYZQFMGVCEIB-QZTJIDSGSA-N 2 1 334.504 3.107 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC000044533217 275131772 /nfs/dbraw/zinc/13/17/72/275131772.db2.gz RWSBXSFRIVIDNA-OLZOCXBDSA-N 2 1 341.293 3.450 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272625709 275244821 /nfs/dbraw/zinc/24/48/21/275244821.db2.gz MNQYAVHDBLLPOB-IBGZPJMESA-N 2 1 332.463 3.462 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(OC(F)F)c1 ZINC000278742842 275270790 /nfs/dbraw/zinc/27/07/90/275270790.db2.gz WTSDZNBWFZLESL-HUUCEWRRSA-N 2 1 342.430 3.440 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(OC(F)F)c1 ZINC000278742842 275270791 /nfs/dbraw/zinc/27/07/91/275270791.db2.gz WTSDZNBWFZLESL-HUUCEWRRSA-N 2 1 342.430 3.440 20 0 EGADMP CCc1noc(C)c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278939487 275289447 /nfs/dbraw/zinc/28/94/47/275289447.db2.gz UHDRXNCRJMRXAP-UHFFFAOYSA-N 2 1 328.460 3.458 20 0 EGADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279050935 275299389 /nfs/dbraw/zinc/29/93/89/275299389.db2.gz YBTMJUYGUDADMH-DOTOQJQBSA-N 2 1 335.455 3.290 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](OC)c2ccccc2)[C@H](C)C1 ZINC000279736221 275354766 /nfs/dbraw/zinc/35/47/66/275354766.db2.gz ODSIRJVUEVFFSM-RMVXJAJNSA-N 2 1 348.531 3.489 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000280044117 275396052 /nfs/dbraw/zinc/39/60/52/275396052.db2.gz VPYFHKDZJBKJNC-KPFFTGBYSA-N 2 1 344.499 3.218 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000280739758 275489671 /nfs/dbraw/zinc/48/96/71/275489671.db2.gz MFRBPZBAKBEFNL-AWEZNQCLSA-N 2 1 347.768 3.187 20 0 EGADMP COc1ccncc1C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000287086027 276081580 /nfs/dbraw/zinc/08/15/80/276081580.db2.gz VQWSOBFBQGOXLF-FQEVSTJZSA-N 2 1 339.483 3.481 20 0 EGADMP COc1cncc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000289784696 276394145 /nfs/dbraw/zinc/39/41/45/276394145.db2.gz JGIKYJXXCFCKGS-IRXDYDNUSA-N 2 1 339.483 3.336 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCCCO1 ZINC000291203575 276606297 /nfs/dbraw/zinc/60/62/97/276606297.db2.gz QKFCCBJSZOBRNS-OXQOHEQNSA-N 2 1 334.479 3.380 20 0 EGADMP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000291267730 276617192 /nfs/dbraw/zinc/61/71/92/276617192.db2.gz XRUNQRCCNHKHOV-LEWJYISDSA-N 2 1 330.516 3.487 20 0 EGADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000376425912 277151180 /nfs/dbraw/zinc/15/11/80/277151180.db2.gz JNVDIMAJBIFQTP-GOSISDBHSA-N 2 1 335.536 3.163 20 0 EGADMP COc1ccc2oc([C@@H](C)[NH2+][C@H](C)CN3CC[NH+](C)CC3)c(C)c2c1 ZINC000361219865 278005502 /nfs/dbraw/zinc/00/55/02/278005502.db2.gz HHGRPPZGVRYQBV-GDBMZVCRSA-N 2 1 345.487 3.036 20 0 EGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(C)ccc1OC ZINC000246345675 288039019 /nfs/dbraw/zinc/03/90/19/288039019.db2.gz HFZMCXKVXBQAFH-HKUYNNGSSA-N 2 1 334.504 3.281 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000264013176 279045664 /nfs/dbraw/zinc/04/56/64/279045664.db2.gz GQEPUIPSYMXUBV-HKUYNNGSSA-N 2 1 333.520 3.306 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246895929 288104900 /nfs/dbraw/zinc/10/49/00/288104900.db2.gz FAPXZPGYVLJTOU-SACAXFFCSA-N 2 1 329.532 3.358 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246895929 288104902 /nfs/dbraw/zinc/10/49/02/288104902.db2.gz FAPXZPGYVLJTOU-SACAXFFCSA-N 2 1 329.532 3.358 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246895929 288104904 /nfs/dbraw/zinc/10/49/04/288104904.db2.gz FAPXZPGYVLJTOU-SACAXFFCSA-N 2 1 329.532 3.358 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)cc1)C(C)C ZINC000177215924 279235902 /nfs/dbraw/zinc/23/59/02/279235902.db2.gz FDJAJFDRDQFBBN-LPHOPBHVSA-N 2 1 343.515 3.272 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1)C(C)C ZINC000177215924 279235904 /nfs/dbraw/zinc/23/59/04/279235904.db2.gz FDJAJFDRDQFBBN-LPHOPBHVSA-N 2 1 343.515 3.272 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1)C(C)C ZINC000177215924 279235906 /nfs/dbraw/zinc/23/59/06/279235906.db2.gz FDJAJFDRDQFBBN-LPHOPBHVSA-N 2 1 343.515 3.272 20 0 EGADMP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000354276497 288159036 /nfs/dbraw/zinc/15/90/36/288159036.db2.gz BXUOPISJMPFUJP-CALCHBBNSA-N 2 1 326.525 3.155 20 0 EGADMP C[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000354276497 288159037 /nfs/dbraw/zinc/15/90/37/288159037.db2.gz BXUOPISJMPFUJP-CALCHBBNSA-N 2 1 326.525 3.155 20 0 EGADMP C[C@@H]1C[N@H+](CCCCC[NH+]2C[C@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000354276497 288159038 /nfs/dbraw/zinc/15/90/38/288159038.db2.gz BXUOPISJMPFUJP-CALCHBBNSA-N 2 1 326.525 3.155 20 0 EGADMP COc1ccccc1C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000191455500 295360443 /nfs/dbraw/zinc/36/04/43/295360443.db2.gz AJTISWSQBCFFFL-UHFFFAOYSA-N 2 1 345.531 3.076 20 0 EGADMP [NH3+]CCC[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)CC1CCCC1 ZINC000352511574 303376601 /nfs/dbraw/zinc/37/66/01/303376601.db2.gz SKFVRMIYHQHAAE-UHFFFAOYSA-N 2 1 341.858 3.259 20 0 EGADMP [NH3+]CCC[N@H+](CC(=O)Nc1ccc(F)cc1Cl)CC1CCCC1 ZINC000352511574 303376603 /nfs/dbraw/zinc/37/66/03/303376603.db2.gz SKFVRMIYHQHAAE-UHFFFAOYSA-N 2 1 341.858 3.259 20 0 EGADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116396024 307483733 /nfs/dbraw/zinc/48/37/33/307483733.db2.gz VRYQCPINXADKIK-WMLDXEAASA-N 2 1 337.483 3.417 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCOC[C@H]2CCCO2)cc1 ZINC000121107246 307515129 /nfs/dbraw/zinc/51/51/29/307515129.db2.gz IJVUNWYWEVJPMO-HNAYVOBHSA-N 2 1 329.444 3.027 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000414170089 309064512 /nfs/dbraw/zinc/06/45/12/309064512.db2.gz BPNJSEODLUSDCB-IAGOWNOFSA-N 2 1 329.488 3.196 20 0 EGADMP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000414337588 309073757 /nfs/dbraw/zinc/07/37/57/309073757.db2.gz DQNUQVZVWIGVBW-OLMNPRSZSA-N 2 1 329.463 3.465 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000248418308 308002743 /nfs/dbraw/zinc/00/27/43/308002743.db2.gz KFQBOZBXTKTGSE-GJZGRUSLSA-N 2 1 329.488 3.354 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000248418308 308002745 /nfs/dbraw/zinc/00/27/45/308002745.db2.gz KFQBOZBXTKTGSE-GJZGRUSLSA-N 2 1 329.488 3.354 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248589083 308006449 /nfs/dbraw/zinc/00/64/49/308006449.db2.gz QSLGJIYQOHRPPK-CADBVGFASA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248589083 308006450 /nfs/dbraw/zinc/00/64/50/308006450.db2.gz QSLGJIYQOHRPPK-CADBVGFASA-N 2 1 349.563 3.409 20 0 EGADMP COc1ccsc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000248638267 308007990 /nfs/dbraw/zinc/00/79/90/308007990.db2.gz METHFWYVLLTFRA-NUEKZKHPSA-N 2 1 338.517 3.175 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000253335851 308033426 /nfs/dbraw/zinc/03/34/26/308033426.db2.gz ATAOPHHHPBUDBN-KZNAEPCWSA-N 2 1 348.535 3.241 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000253335851 308033428 /nfs/dbraw/zinc/03/34/28/308033428.db2.gz ATAOPHHHPBUDBN-KZNAEPCWSA-N 2 1 348.535 3.241 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000414466306 309081964 /nfs/dbraw/zinc/08/19/64/309081964.db2.gz GXCQSFZRYZQUHA-AYHJJNSGSA-N 2 1 328.435 3.035 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000414466306 309081965 /nfs/dbraw/zinc/08/19/65/309081965.db2.gz GXCQSFZRYZQUHA-AYHJJNSGSA-N 2 1 328.435 3.035 20 0 EGADMP FC(F)COCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293314976 308119576 /nfs/dbraw/zinc/11/95/76/308119576.db2.gz LSKJBKBJTKHCJV-UHFFFAOYSA-N 2 1 338.442 3.256 20 0 EGADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1OC ZINC000293704834 308154452 /nfs/dbraw/zinc/15/44/52/308154452.db2.gz MIPQXWABKPROQC-HUUCEWRRSA-N 2 1 338.879 3.116 20 0 EGADMP Cc1nnsc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000293854462 308168109 /nfs/dbraw/zinc/16/81/09/308168109.db2.gz XLTLXLNAXLYDGT-OKZBNKHCSA-N 2 1 342.512 3.237 20 0 EGADMP Cc1nnsc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000293854462 308168110 /nfs/dbraw/zinc/16/81/10/308168110.db2.gz XLTLXLNAXLYDGT-OKZBNKHCSA-N 2 1 342.512 3.237 20 0 EGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000294063636 308187052 /nfs/dbraw/zinc/18/70/52/308187052.db2.gz HIRYZBGTKXGIEB-QFBILLFUSA-N 2 1 348.487 3.015 20 0 EGADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(C(=O)OC)cc1 ZINC000294727221 308250339 /nfs/dbraw/zinc/25/03/39/308250339.db2.gz KMAIVDSGNWJZPQ-SFHVURJKSA-N 2 1 329.444 3.499 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@H](c2ccc(SC)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000294902541 308269587 /nfs/dbraw/zinc/26/95/87/308269587.db2.gz FPCSTIGSCLRFRE-ZYSHUDEJSA-N 2 1 335.561 3.331 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(SC)cc2)N(C)C)[C@@H](C)C1 ZINC000294902541 308269589 /nfs/dbraw/zinc/26/95/89/308269589.db2.gz FPCSTIGSCLRFRE-ZYSHUDEJSA-N 2 1 335.561 3.331 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(SC)cc2)N(C)C)[C@@H](C)C1 ZINC000294902541 308269590 /nfs/dbraw/zinc/26/95/90/308269590.db2.gz FPCSTIGSCLRFRE-ZYSHUDEJSA-N 2 1 335.561 3.331 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000294974639 308277884 /nfs/dbraw/zinc/27/78/84/308277884.db2.gz KDMMLIJVBJXIJU-LJQANCHMSA-N 2 1 335.561 3.475 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414656842 309094048 /nfs/dbraw/zinc/09/40/48/309094048.db2.gz GHGXFZLFJYELIA-HZPDHXFCSA-N 2 1 339.487 3.229 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)cc1 ZINC000296069552 308390506 /nfs/dbraw/zinc/39/05/06/308390506.db2.gz SCJFMURUCDDZIQ-QFBILLFUSA-N 2 1 342.487 3.399 20 0 EGADMP Cc1cccc([C@@H]2CCCCC[N@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)c1 ZINC000414699177 309096167 /nfs/dbraw/zinc/09/61/67/309096167.db2.gz JMRWRXUMMSZNJU-ICSRJNTNSA-N 2 1 343.515 3.109 20 0 EGADMP C[C@H]1C[C@H](C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000414668702 309094736 /nfs/dbraw/zinc/09/47/36/309094736.db2.gz AQKHJBYWLGUZBY-NWDGAFQWSA-N 2 1 344.286 3.252 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000414670751 309094782 /nfs/dbraw/zinc/09/47/82/309094782.db2.gz MMCQVAVYAMEFOM-KFKAGJAMSA-N 2 1 338.499 3.339 20 0 EGADMP C[C@H](C[NH3+])N(C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414718043 309097243 /nfs/dbraw/zinc/09/72/43/309097243.db2.gz VCFHBDFMHIRUDL-OAHLLOKOSA-N 2 1 332.492 3.262 20 0 EGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000414742274 309098379 /nfs/dbraw/zinc/09/83/79/309098379.db2.gz FYKPVOSCVDQNGE-YPMHNXCESA-N 2 1 329.257 3.408 20 0 EGADMP Brc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000414775300 309100229 /nfs/dbraw/zinc/10/02/29/309100229.db2.gz GLBHKBMIRKQFBQ-STQMWFEESA-N 2 1 329.307 3.332 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc(-c3ccsc3)s2)CC12CCOCC2 ZINC000414775272 309100322 /nfs/dbraw/zinc/10/03/22/309100322.db2.gz GJLVMIDRNLJTNB-CQSZACIVSA-N 2 1 349.525 3.059 20 0 EGADMP Cc1cc(Br)cc(C[NH2+]C2CC[NH2+]CC2)c1OC(F)F ZINC000414782543 309100856 /nfs/dbraw/zinc/10/08/56/309100856.db2.gz FBDHEPCSLSLLDX-UHFFFAOYSA-N 2 1 349.219 3.201 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CC12CCOCC2 ZINC000414788757 309101372 /nfs/dbraw/zinc/10/13/72/309101372.db2.gz XGMGQKPUURRFPA-INIZCTEOSA-N 2 1 345.874 3.076 20 0 EGADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000414830443 309104291 /nfs/dbraw/zinc/10/42/91/309104291.db2.gz OAFXTWIPQYGMRD-QSUVIHHLSA-N 2 1 328.500 3.426 20 0 EGADMP CO[C@H]([C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1 ZINC000449635949 310076341 /nfs/dbraw/zinc/07/63/41/310076341.db2.gz YTSHSFXFEYNVIZ-FOIQADDNSA-N 2 1 334.479 3.236 20 0 EGADMP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414900996 309108158 /nfs/dbraw/zinc/10/81/58/309108158.db2.gz FLIALBMAWMUILL-SJORKVTESA-N 2 1 338.879 3.130 20 0 EGADMP Fc1ccc(Cn2cc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cn2)cc1 ZINC000415034260 309115559 /nfs/dbraw/zinc/11/55/59/309115559.db2.gz CMJUTQKVFVBTSE-ICSRJNTNSA-N 2 1 342.462 3.035 20 0 EGADMP Fc1ccc(Cn2cc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cn2)cc1 ZINC000415034260 309115560 /nfs/dbraw/zinc/11/55/60/309115560.db2.gz CMJUTQKVFVBTSE-ICSRJNTNSA-N 2 1 342.462 3.035 20 0 EGADMP COc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccc1OCc1ccncc1 ZINC000415052450 309116695 /nfs/dbraw/zinc/11/66/95/309116695.db2.gz HNVFIQUVTHENJM-IBGZPJMESA-N 2 1 343.471 3.132 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1OC(F)F ZINC000415057073 309117122 /nfs/dbraw/zinc/11/71/22/309117122.db2.gz TVDUWULUPLJHRJ-LSDHHAIUSA-N 2 1 340.414 3.261 20 0 EGADMP COCCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415094687 309119832 /nfs/dbraw/zinc/11/98/32/309119832.db2.gz XRCQJXVGQHPLGZ-TZIWHRDSSA-N 2 1 340.467 3.295 20 0 EGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000415113535 309121160 /nfs/dbraw/zinc/12/11/60/309121160.db2.gz UIVLUEZQLKEEBL-IAGOWNOFSA-N 2 1 326.843 3.197 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C[C@H]1C[NH3+] ZINC000415126848 309122449 /nfs/dbraw/zinc/12/24/49/309122449.db2.gz MLOGIUKKJCJGGX-VQIMIIECSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@H]1C[NH3+] ZINC000415132832 309122809 /nfs/dbraw/zinc/12/28/09/309122809.db2.gz URALULKFWGGXPM-FUHWJXTLSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1C[NH3+] ZINC000415132831 309122886 /nfs/dbraw/zinc/12/28/86/309122886.db2.gz URALULKFWGGXPM-AEFFLSMTSA-N 2 1 325.456 3.077 20 0 EGADMP CCc1oc2ccccc2c1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415137263 309123272 /nfs/dbraw/zinc/12/32/72/309123272.db2.gz SSONDVJTGZFXHT-MSOLQXFVSA-N 2 1 340.467 3.196 20 0 EGADMP C[C@@H](C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1cccc(Cl)c1 ZINC000415145340 309123684 /nfs/dbraw/zinc/12/36/84/309123684.db2.gz WWGUFLCSVAUNLY-QGTPRVQTSA-N 2 1 334.891 3.144 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000415930675 309149436 /nfs/dbraw/zinc/14/94/36/309149436.db2.gz KSPKITJPFNDFBK-UHFFFAOYSA-N 2 1 340.471 3.050 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000415931568 309149549 /nfs/dbraw/zinc/14/95/49/309149549.db2.gz MFQQJWLVRVMRKJ-GOSISDBHSA-N 2 1 332.492 3.038 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1Cl ZINC000415962624 309151472 /nfs/dbraw/zinc/15/14/72/309151472.db2.gz UCIVLCMAZIZPOD-KRWDZBQOSA-N 2 1 346.862 3.223 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415973636 309152188 /nfs/dbraw/zinc/15/21/88/309152188.db2.gz PDBKTWRQOPEBAJ-GOSISDBHSA-N 2 1 332.492 3.182 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000416153830 309161167 /nfs/dbraw/zinc/16/11/67/309161167.db2.gz GBTWHJQVPKYYPX-NEWSRXKRSA-N 2 1 331.504 3.011 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000417982213 309230542 /nfs/dbraw/zinc/23/05/42/309230542.db2.gz MXMMIJJORXBOMU-YPAWHYETSA-N 2 1 336.479 3.147 20 0 EGADMP C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420297482 309279857 /nfs/dbraw/zinc/27/98/57/309279857.db2.gz FYMZQIVEXAPHJA-KQLYMOGASA-N 2 1 342.458 3.140 20 0 EGADMP COCC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)c1ccccc1 ZINC000420295494 309280004 /nfs/dbraw/zinc/28/00/04/309280004.db2.gz ARPOQMTXZYUWNR-PXNSSMCTSA-N 2 1 342.483 3.447 20 0 EGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420301297 309280380 /nfs/dbraw/zinc/28/03/80/309280380.db2.gz AMULHAXNYDPIEO-ACRUOGEOSA-N 3 1 329.532 3.048 20 0 EGADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420303001 309280563 /nfs/dbraw/zinc/28/05/63/309280563.db2.gz KFEYYMPDQUROHY-SNRMKQJTSA-N 2 1 338.451 3.357 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420317671 309281667 /nfs/dbraw/zinc/28/16/67/309281667.db2.gz NQCRQKQQLUGQEE-JVPBZIDWSA-N 2 1 332.875 3.264 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329433 309282507 /nfs/dbraw/zinc/28/25/07/309282507.db2.gz GTZMNSUJTYPKGB-NXHRZFHOSA-N 2 1 337.467 3.098 20 0 EGADMP Fc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420329795 309282550 /nfs/dbraw/zinc/28/25/50/309282550.db2.gz OZEXTNAGLONHSI-KGLIPLIRSA-N 2 1 341.268 3.410 20 0 EGADMP CCn1c2cccc(F)c2nc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420335698 309283110 /nfs/dbraw/zinc/28/31/10/309283110.db2.gz KXKRBFPTQLZAPX-MRXNPFEDSA-N 2 1 330.451 3.159 20 0 EGADMP CCc1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420339502 309283229 /nfs/dbraw/zinc/28/32/29/309283229.db2.gz LWLPNBSWVKUKHM-MSOLQXFVSA-N 2 1 340.471 3.121 20 0 EGADMP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345029 309283422 /nfs/dbraw/zinc/28/34/22/309283422.db2.gz UVWLTTXAMDXFPW-SVFBPWRDSA-N 2 1 349.478 3.298 20 0 EGADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000420382214 309285511 /nfs/dbraw/zinc/28/55/11/309285511.db2.gz ZNFSMUZNEWEXHP-XHBSWPGZSA-N 2 1 343.393 3.010 20 0 EGADMP CCCCc1nc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cs1 ZINC000420381444 309285617 /nfs/dbraw/zinc/28/56/17/309285617.db2.gz PAQZBYMKBIMFKA-WMZOPIPTSA-N 2 1 337.533 3.204 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420404165 309286729 /nfs/dbraw/zinc/28/67/29/309286729.db2.gz LSVKWFOTQVNXLI-UONOGXRCSA-N 2 1 330.428 3.026 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420404165 309286730 /nfs/dbraw/zinc/28/67/30/309286730.db2.gz LSVKWFOTQVNXLI-UONOGXRCSA-N 2 1 330.428 3.026 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C[C@H]1C[NH3+] ZINC000420417866 309287119 /nfs/dbraw/zinc/28/71/19/309287119.db2.gz WNDLCGZWHWZQCA-SJLPKXTDSA-N 2 1 334.467 3.418 20 0 EGADMP Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420933422 309302145 /nfs/dbraw/zinc/30/21/45/309302145.db2.gz IVWBZHHLQVIKJL-NRFANRHFSA-N 2 1 339.483 3.194 20 0 EGADMP Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420933422 309302147 /nfs/dbraw/zinc/30/21/47/309302147.db2.gz IVWBZHHLQVIKJL-NRFANRHFSA-N 2 1 339.483 3.194 20 0 EGADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000421827146 309341897 /nfs/dbraw/zinc/34/18/97/309341897.db2.gz WNDQMCGDMZUHCY-OAHLLOKOSA-N 2 1 339.911 3.027 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)ccc2o1 ZINC000422637395 309363242 /nfs/dbraw/zinc/36/32/42/309363242.db2.gz OOHNPQTYVHEFML-XEZPLFJOSA-N 2 1 330.428 3.025 20 0 EGADMP C[C@H]([NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000422711195 309364254 /nfs/dbraw/zinc/36/42/54/309364254.db2.gz GTHKFUSUPVHHLG-IFXJQAMLSA-N 2 1 338.430 3.114 20 0 EGADMP CCC[NH+](CCC)CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422716871 309364681 /nfs/dbraw/zinc/36/46/81/309364681.db2.gz UUETZVJUZSSDHK-FPOVZHCZSA-N 3 1 345.531 3.344 20 0 EGADMP COc1ccccc1[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCCCC1 ZINC000422719152 309364760 /nfs/dbraw/zinc/36/47/60/309364760.db2.gz XQISEMJRPPHEHM-HOJAQTOUSA-N 2 1 345.531 3.329 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc(NC(N)=O)cc1 ZINC000422730245 309365501 /nfs/dbraw/zinc/36/55/01/309365501.db2.gz LVAPUFMLWHKXLP-ZOCIIQOWSA-N 2 1 338.455 3.321 20 0 EGADMP COC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422762083 309366988 /nfs/dbraw/zinc/36/69/88/309366988.db2.gz NMULSOORNBMEMO-XPKDYRNWSA-N 2 1 330.394 3.371 20 0 EGADMP CC[C@H]([NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl)[C@H]1CCCC[NH2+]1 ZINC000422797776 309368817 /nfs/dbraw/zinc/36/88/17/309368817.db2.gz OKQMXCOSNAUFDY-DOPJRALCSA-N 2 1 342.886 3.140 20 0 EGADMP CCN(CC)[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)c1cccc(OC)c1 ZINC000422798480 309369129 /nfs/dbraw/zinc/36/91/29/309369129.db2.gz RIISONFTAAIJRB-FFZOFVMBSA-N 2 1 333.520 3.056 20 0 EGADMP c1cc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc(C[NH+]2CCCC2)c1 ZINC000422812272 309369714 /nfs/dbraw/zinc/36/97/14/309369714.db2.gz WCALMHXBEJGNNV-NJDAHSKKSA-N 2 1 327.516 3.293 20 0 EGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422814097 309369987 /nfs/dbraw/zinc/36/99/87/309369987.db2.gz ZMVFTOGCQANODJ-XMSQKQJNSA-N 3 1 337.511 3.331 20 0 EGADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422814097 309369988 /nfs/dbraw/zinc/36/99/88/309369988.db2.gz ZMVFTOGCQANODJ-XMSQKQJNSA-N 2 1 337.511 3.331 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000422829849 309370808 /nfs/dbraw/zinc/37/08/08/309370808.db2.gz VBAZRXWNWODMRQ-SJORKVTESA-N 2 1 340.515 3.410 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000422829849 309370809 /nfs/dbraw/zinc/37/08/09/309370809.db2.gz VBAZRXWNWODMRQ-SJORKVTESA-N 3 1 340.515 3.410 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000422829849 309370810 /nfs/dbraw/zinc/37/08/10/309370810.db2.gz VBAZRXWNWODMRQ-SJORKVTESA-N 3 1 340.515 3.410 20 0 EGADMP FC(F)(F)CN1CCC([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422854555 309372226 /nfs/dbraw/zinc/37/22/26/309372226.db2.gz BBYQBYFDAUGPJU-IRXDYDNUSA-N 2 1 341.421 3.096 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422886914 309374303 /nfs/dbraw/zinc/37/43/03/309374303.db2.gz AACBHWKTCHKDKE-IEBWSBKVSA-N 2 1 333.520 3.014 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+]C2CCC(C[NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC000423007838 309380532 /nfs/dbraw/zinc/38/05/32/309380532.db2.gz YQJJFMMATBMVGG-OMZYAQQMSA-N 3 1 329.532 3.394 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@@H]3C2)cc1 ZINC000423030167 309381990 /nfs/dbraw/zinc/38/19/90/309381990.db2.gz JJUDPPODIWMWKM-BICOSRPSSA-N 2 1 339.527 3.160 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@@H]3C2)cc1 ZINC000423030167 309381991 /nfs/dbraw/zinc/38/19/91/309381991.db2.gz JJUDPPODIWMWKM-BICOSRPSSA-N 3 1 339.527 3.160 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@@H]3C2)cc1 ZINC000423030167 309381992 /nfs/dbraw/zinc/38/19/92/309381992.db2.gz JJUDPPODIWMWKM-BICOSRPSSA-N 3 1 339.527 3.160 20 0 EGADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000423057949 309383491 /nfs/dbraw/zinc/38/34/91/309383491.db2.gz BABKWHJNIJFCLF-QBPKDAKJSA-N 2 1 342.405 3.079 20 0 EGADMP CN1C[C@H](C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)Cc2ccccc21 ZINC000423060888 309383840 /nfs/dbraw/zinc/38/38/40/309383840.db2.gz PPMMXNNSKZNJBR-DZFGPLHGSA-N 2 1 335.495 3.378 20 0 EGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423094694 309385845 /nfs/dbraw/zinc/38/58/45/309385845.db2.gz KMCZZJUGVZAYOZ-SDPXSBNPSA-N 2 1 341.268 3.422 20 0 EGADMP COCc1nc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c(-c2ccccc2)s1 ZINC000423102656 309386150 /nfs/dbraw/zinc/38/61/50/309386150.db2.gz OKHBNIFCDVYVQZ-GJZGRUSLSA-N 2 1 331.485 3.174 20 0 EGADMP Clc1ccc2c(ccn2CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000423108667 309386234 /nfs/dbraw/zinc/38/62/34/309386234.db2.gz RMYXVXZLAASNEY-KSZLIROESA-N 2 1 347.890 3.041 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423109180 309386295 /nfs/dbraw/zinc/38/62/95/309386295.db2.gz UHPNFNYTBFTSMR-UKRRQHHQSA-N 2 1 345.409 3.423 20 0 EGADMP COCc1nc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c(-c2ccccc2)s1 ZINC000423114521 309386599 /nfs/dbraw/zinc/38/65/99/309386599.db2.gz ZMBMBRPAGCUFPA-ZBFHGGJFSA-N 2 1 345.512 3.434 20 0 EGADMP Cc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc(N2CCCC2)n1 ZINC000423121926 309387038 /nfs/dbraw/zinc/38/70/38/309387038.db2.gz JWELRGXGVPKZBK-PXNSSMCTSA-N 2 1 338.499 3.038 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000423135089 309387748 /nfs/dbraw/zinc/38/77/48/309387748.db2.gz SMRUPNCXTGEAGB-MEDUHNTESA-N 2 1 333.382 3.301 20 0 EGADMP COc1ncc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1Cl ZINC000423156981 309388756 /nfs/dbraw/zinc/38/87/56/309388756.db2.gz LXLIYRRJWYAZLT-NVXWUHKLSA-N 2 1 331.847 3.327 20 0 EGADMP OCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000423160389 309388840 /nfs/dbraw/zinc/38/88/40/309388840.db2.gz QWAUUQFTBXAYDU-VFSICIBPSA-N 2 1 328.378 3.002 20 0 EGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423259997 309392741 /nfs/dbraw/zinc/39/27/41/309392741.db2.gz GKIFYHLWCFRUPD-SCLBCKFNSA-N 2 1 329.488 3.475 20 0 EGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000423262587 309392795 /nfs/dbraw/zinc/39/27/95/309392795.db2.gz MULDZGRZUBOFBI-BEFAXECRSA-N 2 1 329.488 3.372 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])nnn1-c1cccc(Cl)c1 ZINC000423267360 309393249 /nfs/dbraw/zinc/39/32/49/309393249.db2.gz FKOAQQIKNBDFPK-JDFRZJQESA-N 2 1 347.894 3.397 20 0 EGADMP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000423334476 309395686 /nfs/dbraw/zinc/39/56/86/309395686.db2.gz OZGDEYPMWOVRQC-JTDSTZFVSA-N 2 1 329.488 3.245 20 0 EGADMP CCCN(C(=O)CC1(C[NH3+])CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000423333350 309395693 /nfs/dbraw/zinc/39/56/93/309395693.db2.gz RLRLFRFTNYRNTN-LJQANCHMSA-N 2 1 343.515 3.019 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])CC2CCCCC2)c1 ZINC000423344937 309396330 /nfs/dbraw/zinc/39/63/30/309396330.db2.gz FOLQNIBWGAAVES-IBGZPJMESA-N 2 1 331.504 3.052 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c(Br)c1 ZINC000423347662 309396397 /nfs/dbraw/zinc/39/63/97/309396397.db2.gz RPNFRHOHWLBAQM-BLLLJJGKSA-N 2 1 341.293 3.498 20 0 EGADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2[C@H]4C[NH2+]C[C@H]42)CCC3)cc1 ZINC000423426807 309399849 /nfs/dbraw/zinc/39/98/49/309399849.db2.gz ICTRMSHHWRQAAH-QSJFSLAZSA-N 2 1 341.480 3.004 20 0 EGADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000423481426 309401969 /nfs/dbraw/zinc/40/19/69/309401969.db2.gz WNGJUNWGOGIKIY-YZGWKJHDSA-N 2 1 329.532 3.189 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(OCc2ccccc2)c1 ZINC000423527809 309405139 /nfs/dbraw/zinc/40/51/39/309405139.db2.gz VZQHFXPESZTYEZ-DYESRHJHSA-N 2 1 340.467 3.295 20 0 EGADMP Fc1ccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)cc1Cl ZINC000424294426 309437089 /nfs/dbraw/zinc/43/70/89/309437089.db2.gz QIKJWGUVQJBVNR-UHFFFAOYSA-N 2 1 334.826 3.116 20 0 EGADMP CS[C@@H]1CN(c2cc[nH+]c3cc(F)ccc32)C[C@H]1[NH+]1CCCC1 ZINC000445597004 309944027 /nfs/dbraw/zinc/94/40/27/309944027.db2.gz QEQAYWYUUCHAME-QZTJIDSGSA-N 2 1 331.460 3.390 20 0 EGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000449029449 310030964 /nfs/dbraw/zinc/03/09/64/310030964.db2.gz OVUVYUCKAZSJTJ-KRWDZBQOSA-N 2 1 340.467 3.003 20 0 EGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449266097 310048835 /nfs/dbraw/zinc/04/88/35/310048835.db2.gz UDIULFKOCRQTST-UHFFFAOYSA-N 2 1 330.472 3.298 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](OC)C(C)(C)C2)CC1 ZINC000449506933 310067721 /nfs/dbraw/zinc/06/77/21/310067721.db2.gz ZPJXQLLQOCFCCU-HXUWFJFHSA-N 2 1 345.531 3.075 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c2nccn21 ZINC000449568865 310072629 /nfs/dbraw/zinc/07/26/29/310072629.db2.gz DPOBULLSYZUXHT-APWZRJJASA-N 2 1 340.471 3.153 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000450243461 310110572 /nfs/dbraw/zinc/11/05/72/310110572.db2.gz NLCWDBOOALPMMQ-NRFANRHFSA-N 2 1 329.532 3.457 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000450243461 310110573 /nfs/dbraw/zinc/11/05/73/310110573.db2.gz NLCWDBOOALPMMQ-NRFANRHFSA-N 2 1 329.532 3.457 20 0 EGADMP CC(C)Oc1ccc2[nH+]ccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000450253045 310111146 /nfs/dbraw/zinc/11/11/46/310111146.db2.gz LUKXFDDHUGMMCW-HOTGVXAUSA-N 2 1 325.456 3.483 20 0 EGADMP CCc1ccc2[nH+]ccc(N3CCC([N@H+]4CCO[C@@H](C)C4)CC3)c2c1 ZINC000450259105 310111513 /nfs/dbraw/zinc/11/15/13/310111513.db2.gz DLCUXAGELDEVOQ-INIZCTEOSA-N 2 1 339.483 3.487 20 0 EGADMP CO[C@H](Cc1ccccc1)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000450881119 310147461 /nfs/dbraw/zinc/14/74/61/310147461.db2.gz YMSMOCJZOFIQEO-HXUWFJFHSA-N 2 1 340.467 3.491 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)CO2 ZINC000453058718 310254835 /nfs/dbraw/zinc/25/48/35/310254835.db2.gz LLTUPBACBBWSGM-AEFFLSMTSA-N 2 1 332.488 3.243 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000453058135 310254860 /nfs/dbraw/zinc/25/48/60/310254860.db2.gz KAIGWVZXNPWJSI-ZWKOTPCHSA-N 2 1 338.499 3.429 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000453068229 310255600 /nfs/dbraw/zinc/25/56/00/310255600.db2.gz XZNQZCCVYUBVJQ-QZTJIDSGSA-N 2 1 338.499 3.429 20 0 EGADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453070159 310255757 /nfs/dbraw/zinc/25/57/57/310255757.db2.gz MSBYHFVWGWJFAC-MHTWAQMVSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453070159 310255758 /nfs/dbraw/zinc/25/57/58/310255758.db2.gz MSBYHFVWGWJFAC-MHTWAQMVSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453070159 310255759 /nfs/dbraw/zinc/25/57/59/310255759.db2.gz MSBYHFVWGWJFAC-MHTWAQMVSA-N 2 1 327.516 3.113 20 0 EGADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453070159 310255760 /nfs/dbraw/zinc/25/57/60/310255760.db2.gz MSBYHFVWGWJFAC-MHTWAQMVSA-N 2 1 327.516 3.113 20 0 EGADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453070159 310255761 /nfs/dbraw/zinc/25/57/61/310255761.db2.gz MSBYHFVWGWJFAC-MHTWAQMVSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c2nccn21 ZINC000453092979 310257428 /nfs/dbraw/zinc/25/74/28/310257428.db2.gz ROWWQUXBWNTVFX-BFYDXBDKSA-N 2 1 330.501 3.452 20 0 EGADMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453112433 310258703 /nfs/dbraw/zinc/25/87/03/310258703.db2.gz CYFXZYRHYQCUCY-NMLBUPMWSA-N 2 1 348.556 3.133 20 0 EGADMP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453127723 310259739 /nfs/dbraw/zinc/25/97/39/310259739.db2.gz LXCNVQSASNTHMQ-CWJKEVGVSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000453295481 310269579 /nfs/dbraw/zinc/26/95/79/310269579.db2.gz YGTUFSQLARWVSG-DAXOMENPSA-N 2 1 330.394 3.201 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000453295481 310269580 /nfs/dbraw/zinc/26/95/80/310269580.db2.gz YGTUFSQLARWVSG-DAXOMENPSA-N 2 1 330.394 3.201 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccn2)[C@H](C)C1 ZINC000453297662 310269785 /nfs/dbraw/zinc/26/97/85/310269785.db2.gz VEMBLAOPXDRCKP-QZTJIDSGSA-N 2 1 333.520 3.086 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000453408746 310275535 /nfs/dbraw/zinc/27/55/35/310275535.db2.gz SWTUXQGXVSCHJW-HNNXBMFYSA-N 2 1 344.503 3.496 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000453411615 310275684 /nfs/dbraw/zinc/27/56/84/310275684.db2.gz VREGTMRTFMLXGX-AWEZNQCLSA-N 2 1 329.488 3.441 20 0 EGADMP C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C1=CC[N@@H+](C)CC1 ZINC000455855928 310379728 /nfs/dbraw/zinc/37/97/28/310379728.db2.gz NXSQOSVUDYSNJI-KUHUBIRLSA-N 2 1 342.487 3.007 20 0 EGADMP CO[C@@]1(C)C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1(C)C ZINC000462103399 310595619 /nfs/dbraw/zinc/59/56/19/310595619.db2.gz FGHWRSBBKOYXPF-CTNGQTDRSA-N 2 1 330.516 3.487 20 0 EGADMP C[C@@H](NCCC[NH+]1CCC(C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000480172653 310890650 /nfs/dbraw/zinc/89/06/50/310890650.db2.gz WXWLKCPNWKCREF-LJQANCHMSA-N 2 1 347.547 3.400 20 0 EGADMP C[NH+]1CCC(CCO)([NH2+]CCCc2c(Cl)cccc2Cl)CC1 ZINC000482262224 310929734 /nfs/dbraw/zinc/92/97/34/310929734.db2.gz YSNBYNAPBQWKJD-UHFFFAOYSA-N 2 1 345.314 3.362 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000486952355 311003613 /nfs/dbraw/zinc/00/36/13/311003613.db2.gz BVZFTPNGMOPSBE-UHFFFAOYSA-N 2 1 349.360 3.390 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000489926334 311125601 /nfs/dbraw/zinc/12/56/01/311125601.db2.gz BSMJCYLUVXJLJJ-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000489926334 311125602 /nfs/dbraw/zinc/12/56/02/311125602.db2.gz BSMJCYLUVXJLJJ-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000489926334 311125604 /nfs/dbraw/zinc/12/56/04/311125604.db2.gz BSMJCYLUVXJLJJ-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000489926334 311125606 /nfs/dbraw/zinc/12/56/06/311125606.db2.gz BSMJCYLUVXJLJJ-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C(C)C ZINC000494123243 311457328 /nfs/dbraw/zinc/45/73/28/311457328.db2.gz HFADAAUXCICWHU-SFHVURJKSA-N 2 1 338.496 3.111 20 0 EGADMP C[NH+]1CCC([NH2+]C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000496895248 311781661 /nfs/dbraw/zinc/78/16/61/311781661.db2.gz SWUNIRZLZDDRQG-WKILWMFISA-N 2 1 339.524 3.001 20 0 EGADMP CCC(CC)NC(=O)[C@H](C)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506471588 312049590 /nfs/dbraw/zinc/04/95/90/312049590.db2.gz DNLBNVWEGLOVRO-BZSNNMDCSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507466007 312073357 /nfs/dbraw/zinc/07/33/57/312073357.db2.gz CBFGRXFUTHRWKL-JBINPLMMSA-N 2 1 330.516 3.284 20 0 EGADMP CC[N@H+]1CCC[C@H](CN[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000508695108 312099571 /nfs/dbraw/zinc/09/95/71/312099571.db2.gz HMICMVCXSYWGNC-CEWLAPEOSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC[C@H](CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000508695108 312099574 /nfs/dbraw/zinc/09/95/74/312099574.db2.gz HMICMVCXSYWGNC-CEWLAPEOSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC[C@H](CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000508695108 312099576 /nfs/dbraw/zinc/09/95/76/312099576.db2.gz HMICMVCXSYWGNC-CEWLAPEOSA-N 3 1 329.532 3.219 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000508695108 312099578 /nfs/dbraw/zinc/09/95/78/312099578.db2.gz HMICMVCXSYWGNC-CEWLAPEOSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000508695108 312099585 /nfs/dbraw/zinc/09/95/85/312099585.db2.gz HMICMVCXSYWGNC-CEWLAPEOSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000508695108 312099588 /nfs/dbraw/zinc/09/95/88/312099588.db2.gz HMICMVCXSYWGNC-CEWLAPEOSA-N 3 1 329.532 3.219 20 0 EGADMP COC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000512294671 312182308 /nfs/dbraw/zinc/18/23/08/312182308.db2.gz JPVOTLHVLXSXKQ-XUVXKRRUSA-N 2 1 328.500 3.446 20 0 EGADMP CC[NH+](CC)CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512631408 312190908 /nfs/dbraw/zinc/19/09/08/312190908.db2.gz QRNHAKMSLHHXBY-PWRODBHTSA-N 2 1 329.532 3.219 20 0 EGADMP CCN(CC)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512631408 312190910 /nfs/dbraw/zinc/19/09/10/312190910.db2.gz QRNHAKMSLHHXBY-PWRODBHTSA-N 2 1 329.532 3.219 20 0 EGADMP CCN(CC)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512631408 312190911 /nfs/dbraw/zinc/19/09/11/312190911.db2.gz QRNHAKMSLHHXBY-PWRODBHTSA-N 2 1 329.532 3.219 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512652954 312191832 /nfs/dbraw/zinc/19/18/32/312191832.db2.gz CCKWYDZRVJZHAE-GXRSIYKFSA-N 2 1 341.543 3.361 20 0 EGADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512652954 312191833 /nfs/dbraw/zinc/19/18/33/312191833.db2.gz CCKWYDZRVJZHAE-GXRSIYKFSA-N 2 1 341.543 3.361 20 0 EGADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512652954 312191836 /nfs/dbraw/zinc/19/18/36/312191836.db2.gz CCKWYDZRVJZHAE-GXRSIYKFSA-N 2 1 341.543 3.361 20 0 EGADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512652954 312191837 /nfs/dbraw/zinc/19/18/37/312191837.db2.gz CCKWYDZRVJZHAE-GXRSIYKFSA-N 2 1 341.543 3.361 20 0 EGADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512652954 312191839 /nfs/dbraw/zinc/19/18/39/312191839.db2.gz CCKWYDZRVJZHAE-GXRSIYKFSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[NH+](C)C1CC1 ZINC000512672613 312192057 /nfs/dbraw/zinc/19/20/57/312192057.db2.gz LLRVERXORANIMQ-CMCXCUNFSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@H](CN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21)[N@H+](C)C1CC1 ZINC000512672613 312192059 /nfs/dbraw/zinc/19/20/59/312192059.db2.gz LLRVERXORANIMQ-CMCXCUNFSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@H](CN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21)[N@@H+](C)C1CC1 ZINC000512672613 312192060 /nfs/dbraw/zinc/19/20/60/312192060.db2.gz LLRVERXORANIMQ-CMCXCUNFSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N(C)C1CC1 ZINC000512672613 312192062 /nfs/dbraw/zinc/19/20/62/312192062.db2.gz LLRVERXORANIMQ-CMCXCUNFSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N(C)C1CC1 ZINC000512672613 312192064 /nfs/dbraw/zinc/19/20/64/312192064.db2.gz LLRVERXORANIMQ-CMCXCUNFSA-N 2 1 341.543 3.359 20 0 EGADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000513499022 312211751 /nfs/dbraw/zinc/21/17/51/312211751.db2.gz DAKGRBVNUCSFJD-QMDZLVRISA-N 2 1 336.907 3.426 20 0 EGADMP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000514735664 312242706 /nfs/dbraw/zinc/24/27/06/312242706.db2.gz DBEBNIHNNXQIBG-LJQANCHMSA-N 2 1 337.467 3.209 20 0 EGADMP Cc1nn(C)c2ncc(C[NH2+][C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cc12 ZINC000516878635 312347862 /nfs/dbraw/zinc/34/78/62/312347862.db2.gz QQHGTCLYWBNNMK-WMLDXEAASA-N 2 1 341.503 3.019 20 0 EGADMP CC1(C)CCC[C@]1(O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000517046687 312361256 /nfs/dbraw/zinc/36/12/56/312361256.db2.gz FTBHXLRKVUZVFH-HIUFNZKISA-N 2 1 342.527 3.428 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](CC3(O)CCC(c4ccccc4)CC3)CC[C@H]21 ZINC000528404665 313085632 /nfs/dbraw/zinc/08/56/32/313085632.db2.gz IHGFROMBZQPXBT-UTZODRGISA-N 2 1 342.527 3.491 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3(O)CCC(c4ccccc4)CC3)CC[C@H]21 ZINC000528404665 313085635 /nfs/dbraw/zinc/08/56/35/313085635.db2.gz IHGFROMBZQPXBT-UTZODRGISA-N 2 1 342.527 3.491 20 0 EGADMP Fc1ccc(Cl)cc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249888 313506149 /nfs/dbraw/zinc/50/61/49/313506149.db2.gz ZZAJFTSVQWMIGK-INIZCTEOSA-N 2 1 326.843 3.070 20 0 EGADMP CC(C)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000536708013 314140660 /nfs/dbraw/zinc/14/06/60/314140660.db2.gz XIXVANDJVCVSSI-NRFANRHFSA-N 2 1 329.532 3.410 20 0 EGADMP C[N@H+]1Cc2ccccc2[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000537952787 314219465 /nfs/dbraw/zinc/21/94/65/314219465.db2.gz SVEDPSILGRCJQI-HSZRJFAPSA-N 2 1 349.522 3.470 20 0 EGADMP C[N@@H+]1Cc2ccccc2[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000537952787 314219467 /nfs/dbraw/zinc/21/94/67/314219467.db2.gz SVEDPSILGRCJQI-HSZRJFAPSA-N 2 1 349.522 3.470 20 0 EGADMP Cc1cc([C@@H]([NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)C2CC2)ccc1F ZINC000538098560 314227126 /nfs/dbraw/zinc/22/71/26/314227126.db2.gz IDSGFVOVOCXROE-ICSRJNTNSA-N 2 1 334.479 3.268 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000539091444 314296004 /nfs/dbraw/zinc/29/60/04/314296004.db2.gz NBNDFRBOPUBSAX-FPOVZHCZSA-N 2 1 348.531 3.409 20 0 EGADMP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2)CC1 ZINC000539646388 314326458 /nfs/dbraw/zinc/32/64/58/314326458.db2.gz OBMKZBWJIQAGCM-IEBWSBKVSA-N 2 1 330.520 3.112 20 0 EGADMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cc(-c4cccnc4)n[nH]3)C2)[nH+]1 ZINC000539816481 314341623 /nfs/dbraw/zinc/34/16/23/314341623.db2.gz JBOLBDAGTPPZON-MRXNPFEDSA-N 2 1 348.454 3.109 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2C)[C@H](C)C1 ZINC000540191524 314368995 /nfs/dbraw/zinc/36/89/95/314368995.db2.gz UCPQSJABPRBFNG-RTBURBONSA-N 2 1 334.504 3.100 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2C)[C@@H](C)C1 ZINC000540191521 314369229 /nfs/dbraw/zinc/36/92/29/314369229.db2.gz UCPQSJABPRBFNG-OALUTQOASA-N 2 1 334.504 3.100 20 0 EGADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCc2cccc(Br)c2C1)C1CC1 ZINC000550097973 315116668 /nfs/dbraw/zinc/11/66/68/315116668.db2.gz SRVCMJVBCCNQRJ-YOEHRIQHSA-N 2 1 337.305 3.236 20 0 EGADMP CCCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000550380006 315126551 /nfs/dbraw/zinc/12/65/51/315126551.db2.gz MBXFGOQUNGALRR-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000552099883 315197925 /nfs/dbraw/zinc/19/79/25/315197925.db2.gz WFAWBFZRILNLDZ-WMZOPIPTSA-N 2 1 334.504 3.407 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000552099883 315197927 /nfs/dbraw/zinc/19/79/27/315197927.db2.gz WFAWBFZRILNLDZ-WMZOPIPTSA-N 2 1 334.504 3.407 20 0 EGADMP C[C@@H]1CCC[C@]1(O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000552406592 315218766 /nfs/dbraw/zinc/21/87/66/315218766.db2.gz FHQKPIIALQCWEE-MLZLACJZSA-N 2 1 328.500 3.038 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C(C)(C)C)C[C@H]2C)CC1 ZINC000553987680 315292346 /nfs/dbraw/zinc/29/23/46/315292346.db2.gz QSTQJJODFPTMEU-IAGOWNOFSA-N 2 1 337.552 3.122 20 0 EGADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CC[C@H]2C2CC2)[C@H](c2ccccc2)C1 ZINC000554049421 315295457 /nfs/dbraw/zinc/29/54/57/315295457.db2.gz QYVCRNRHVVTBEN-HBMCJLEFSA-N 2 1 327.516 3.143 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCc2ccc(-c3ccccc3)cc21)C1CC1 ZINC000564873721 316224320 /nfs/dbraw/zinc/22/43/20/316224320.db2.gz RHZDOBUIZVGOCH-RBBKRZOGSA-N 2 1 336.479 3.386 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCc2ccc(-c3ccccc3)cc21)C1CC1 ZINC000564873721 316224324 /nfs/dbraw/zinc/22/43/24/316224324.db2.gz RHZDOBUIZVGOCH-RBBKRZOGSA-N 2 1 336.479 3.386 20 0 EGADMP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000564914572 316232325 /nfs/dbraw/zinc/23/23/25/316232325.db2.gz ARRLHSZRCHDSCJ-HXUWFJFHSA-N 2 1 343.515 3.109 20 0 EGADMP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000564914572 316232328 /nfs/dbraw/zinc/23/23/28/316232328.db2.gz ARRLHSZRCHDSCJ-HXUWFJFHSA-N 2 1 343.515 3.109 20 0 EGADMP C[N@@H+](C[C@@H](O)CNCc1ccccc1Sc1ccccc1)C1CC1 ZINC000565475692 316329221 /nfs/dbraw/zinc/32/92/21/316329221.db2.gz COJWTSVJKDTPBG-SFHVURJKSA-N 2 1 342.508 3.383 20 0 EGADMP CN(C[C@@H](O)C[NH2+]Cc1ccccc1Sc1ccccc1)C1CC1 ZINC000565475692 316329222 /nfs/dbraw/zinc/32/92/22/316329222.db2.gz COJWTSVJKDTPBG-SFHVURJKSA-N 2 1 342.508 3.383 20 0 EGADMP CC(C)C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000154273994 454880022 /nfs/dbraw/zinc/88/00/22/454880022.db2.gz QIMXLPVYPPJXGR-JKSUJKDBSA-N 2 1 332.410 3.305 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000569474927 316921088 /nfs/dbraw/zinc/92/10/88/316921088.db2.gz WRTJAQJTCIJHHL-UHFFFAOYSA-N 2 1 335.467 3.317 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@](C)(Cc1ccccc1)c1ccccc1 ZINC000571341797 317185440 /nfs/dbraw/zinc/18/54/40/317185440.db2.gz PYNTYDUULUAXMW-RTWAWAEBSA-N 2 1 326.484 3.047 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000571501452 317208085 /nfs/dbraw/zinc/20/80/85/317208085.db2.gz CMVYNNIJWRZSGV-IBGZPJMESA-N 2 1 343.515 3.133 20 0 EGADMP CC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccncc1 ZINC000571853208 317256106 /nfs/dbraw/zinc/25/61/06/317256106.db2.gz JUUXZEJRELIOTD-ZWKOTPCHSA-N 2 1 344.528 3.173 20 0 EGADMP Cc1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1C ZINC000572304153 317319115 /nfs/dbraw/zinc/31/91/15/317319115.db2.gz GZBVOPKHSFIMKB-CALCHBBNSA-N 2 1 340.515 3.496 20 0 EGADMP CCCOc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1OC ZINC000572324778 317321019 /nfs/dbraw/zinc/32/10/19/317321019.db2.gz HVMAFRATRMOETH-ZWKOTPCHSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1OC ZINC000572324778 317321023 /nfs/dbraw/zinc/32/10/23/317321023.db2.gz HVMAFRATRMOETH-ZWKOTPCHSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1OC ZINC000572324778 317321026 /nfs/dbraw/zinc/32/10/26/317321026.db2.gz HVMAFRATRMOETH-ZWKOTPCHSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1OC ZINC000572324777 317321360 /nfs/dbraw/zinc/32/13/60/317321360.db2.gz HVMAFRATRMOETH-ROUUACIJSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1OC ZINC000572324777 317321363 /nfs/dbraw/zinc/32/13/63/317321363.db2.gz HVMAFRATRMOETH-ROUUACIJSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1OC ZINC000572324777 317321365 /nfs/dbraw/zinc/32/13/65/317321365.db2.gz HVMAFRATRMOETH-ROUUACIJSA-N 2 1 332.488 3.400 20 0 EGADMP C[C@H]1C[C@H](N(C)Cc2ncccc2O)CC[N@H+]1Cc1ccccc1 ZINC000572407680 317334213 /nfs/dbraw/zinc/33/42/13/317334213.db2.gz DBLBYHNPEAFOHT-FUHWJXTLSA-N 2 1 325.456 3.272 20 0 EGADMP C[C@H]1C[C@H]([N@H+](C)Cc2ncccc2O)CCN1Cc1ccccc1 ZINC000572407680 317334215 /nfs/dbraw/zinc/33/42/15/317334215.db2.gz DBLBYHNPEAFOHT-FUHWJXTLSA-N 2 1 325.456 3.272 20 0 EGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ncccc2O)CCN1Cc1ccccc1 ZINC000572407680 317334218 /nfs/dbraw/zinc/33/42/18/317334218.db2.gz DBLBYHNPEAFOHT-FUHWJXTLSA-N 2 1 325.456 3.272 20 0 EGADMP COCC[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(F)cc1Cl ZINC000572777912 317390390 /nfs/dbraw/zinc/39/03/90/317390390.db2.gz RDXJXIKPLLCKPF-UHFFFAOYSA-N 2 1 339.842 3.294 20 0 EGADMP COCC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(F)cc1Cl ZINC000572777912 317390392 /nfs/dbraw/zinc/39/03/92/317390392.db2.gz RDXJXIKPLLCKPF-UHFFFAOYSA-N 2 1 339.842 3.294 20 0 EGADMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000261939938 455974756 /nfs/dbraw/zinc/97/47/56/455974756.db2.gz DOCBTNUPTPIADK-HOCLYGCPSA-N 2 1 339.277 3.204 20 0 EGADMP C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000171248789 323226258 /nfs/dbraw/zinc/22/62/58/323226258.db2.gz TZJKIHZOMQUVMB-KSZLIROESA-N 2 1 343.515 3.160 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000171948944 323263930 /nfs/dbraw/zinc/26/39/30/323263930.db2.gz YWWCTTCULBTNCV-MRXNPFEDSA-N 2 1 349.544 3.152 20 0 EGADMP C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000385799536 324263898 /nfs/dbraw/zinc/26/38/98/324263898.db2.gz DZCDFZUBHWQKLI-LPHOPBHVSA-N 2 1 338.451 3.416 20 0 EGADMP Cc1ccc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000392130772 324288077 /nfs/dbraw/zinc/28/80/77/324288077.db2.gz GDVPDKLNYLGVBQ-KRWDZBQOSA-N 2 1 326.444 3.009 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495122365 324376908 /nfs/dbraw/zinc/37/69/08/324376908.db2.gz KCKYNUAQRMAHKT-SJORKVTESA-N 2 1 339.524 3.098 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000579255110 325085987 /nfs/dbraw/zinc/08/59/87/325085987.db2.gz NRSQXPRTLDCBEJ-UXHICEINSA-N 2 1 346.515 3.072 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000579255110 325085992 /nfs/dbraw/zinc/08/59/92/325085992.db2.gz NRSQXPRTLDCBEJ-UXHICEINSA-N 2 1 346.515 3.072 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CCCOCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000579865926 325170087 /nfs/dbraw/zinc/17/00/87/325170087.db2.gz CJXDFWSOPBKQCS-HOTGVXAUSA-N 2 1 330.394 3.381 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CCCOCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000579865926 325170090 /nfs/dbraw/zinc/17/00/90/325170090.db2.gz CJXDFWSOPBKQCS-HOTGVXAUSA-N 2 1 330.394 3.381 20 0 EGADMP CC(C)n1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nn1 ZINC000580118391 325205515 /nfs/dbraw/zinc/20/55/15/325205515.db2.gz DZKWDAWGRNQUAA-MJGOQNOKSA-N 2 1 341.503 3.249 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cn1 ZINC000580288984 325229265 /nfs/dbraw/zinc/22/92/65/325229265.db2.gz JDMFOSXTBANLIC-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000581009652 325320816 /nfs/dbraw/zinc/32/08/16/325320816.db2.gz ZIFHSOHLJDQEIC-LPHOPBHVSA-N 2 1 331.504 3.051 20 0 EGADMP CCCc1nc(C)c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000581125315 325332822 /nfs/dbraw/zinc/33/28/22/325332822.db2.gz LOJGZQDAUXUNCU-OXJNMPFZSA-N 2 1 341.455 3.281 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000355383479 457367375 /nfs/dbraw/zinc/36/73/75/457367375.db2.gz SLIMAPXIRHXCBX-XJKSGUPXSA-N 2 1 339.911 3.226 20 0 EGADMP [NH3+][C@H](CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000237836707 455224041 /nfs/dbraw/zinc/22/40/41/455224041.db2.gz IRHZVOSRULWGDA-HXUWFJFHSA-N 2 1 343.515 3.191 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000157856107 455240902 /nfs/dbraw/zinc/24/09/02/455240902.db2.gz GYFDQLZLZJFGDJ-HNNXBMFYSA-N 2 1 335.458 3.257 20 0 EGADMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cnn(CC(C)C)c3)C2)[nH+]1 ZINC000183234546 455256895 /nfs/dbraw/zinc/25/68/95/455256895.db2.gz QUMLQQNOJKKYKP-KRWDZBQOSA-N 2 1 327.476 3.177 20 0 EGADMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cnn(CC(C)C)c3)C2)[nH+]1 ZINC000183234546 455256897 /nfs/dbraw/zinc/25/68/97/455256897.db2.gz QUMLQQNOJKKYKP-KRWDZBQOSA-N 2 1 327.476 3.177 20 0 EGADMP CC[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000264693350 455264585 /nfs/dbraw/zinc/26/45/85/455264585.db2.gz FHZPOFIFUXTXBO-ROUUACIJSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000066531353 453850739 /nfs/dbraw/zinc/85/07/39/453850739.db2.gz KUSISZKUZLSZIO-HDICACEKSA-N 2 1 343.515 3.162 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2)CC1 ZINC000066960587 453890393 /nfs/dbraw/zinc/89/03/93/453890393.db2.gz UXMODMFGTPTGCB-KRWDZBQOSA-N 2 1 331.504 3.458 20 0 EGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[N@@H+](CC)C(C)C ZINC000067420310 453929930 /nfs/dbraw/zinc/92/99/30/453929930.db2.gz MWUPLHVGMCLNDQ-UHFFFAOYSA-N 2 1 348.535 3.010 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000067421324 453930301 /nfs/dbraw/zinc/93/03/01/453930301.db2.gz DVEDEMQSZOUHIJ-QGZVFWFLSA-N 2 1 348.535 3.010 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000067507178 453936824 /nfs/dbraw/zinc/93/68/24/453936824.db2.gz YXFUYMZZZFDMLB-GOSISDBHSA-N 2 1 339.483 3.481 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000067507178 453936827 /nfs/dbraw/zinc/93/68/27/453936827.db2.gz YXFUYMZZZFDMLB-GOSISDBHSA-N 2 1 339.483 3.481 20 0 EGADMP COc1ccc([C@@H](CNc2cc(C)[nH+]c(C)n2)[NH+]2CCCC2)cc1 ZINC000043532655 454066761 /nfs/dbraw/zinc/06/67/61/454066761.db2.gz ZNKMJBJHUYILJL-GOSISDBHSA-N 2 1 326.444 3.351 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNCc2cn(C(C)(C)C)nn2)c1 ZINC000190889665 455398487 /nfs/dbraw/zinc/39/84/87/455398487.db2.gz QPSRDZFBZMEHBI-UHFFFAOYSA-N 2 1 329.492 3.163 20 0 EGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(C(C)(C)C)nn2)c1 ZINC000190889665 455398491 /nfs/dbraw/zinc/39/84/91/455398491.db2.gz QPSRDZFBZMEHBI-UHFFFAOYSA-N 2 1 329.492 3.163 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C(C)(C)C)nn2)c1 ZINC000190889665 455398493 /nfs/dbraw/zinc/39/84/93/455398493.db2.gz QPSRDZFBZMEHBI-UHFFFAOYSA-N 2 1 329.492 3.163 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000069754278 454141075 /nfs/dbraw/zinc/14/10/75/454141075.db2.gz QLPUNHONAWITQY-UHFFFAOYSA-N 2 1 337.471 3.233 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000089627787 454170353 /nfs/dbraw/zinc/17/03/53/454170353.db2.gz SFDDCBIWOOHROP-SOLBZPMBSA-N 2 1 327.472 3.322 20 0 EGADMP Brc1ccc2c(c1)[nH+]ccc2N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266293353 455426351 /nfs/dbraw/zinc/42/63/51/455426351.db2.gz XECBQFFGPPQQIQ-AWEZNQCLSA-N 2 1 344.256 3.448 20 0 EGADMP CC[NH+](CC)CCn1ccc2cc(NC(=O)C[N@@H+](C)C(C)C)ccc21 ZINC000060270920 454275557 /nfs/dbraw/zinc/27/55/57/454275557.db2.gz SKNHODZLHPDUJM-UHFFFAOYSA-N 2 1 344.503 3.262 20 0 EGADMP CC(C)(C)C[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090587111 454324032 /nfs/dbraw/zinc/32/40/32/454324032.db2.gz PCZKZLBPJTVTNF-IBGZPJMESA-N 2 1 336.495 3.219 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000078965871 454345972 /nfs/dbraw/zinc/34/59/72/454345972.db2.gz NQLCVGCKIMWVNJ-INIZCTEOSA-N 2 1 339.524 3.240 20 0 EGADMP CC[N@H+]1CC[C@H](Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)[C@H](C)C1 ZINC000132784124 454365884 /nfs/dbraw/zinc/36/58/84/454365884.db2.gz YHJJMQMTKWPOJI-NQIIRXRSSA-N 2 1 344.547 3.359 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC000063722732 454441178 /nfs/dbraw/zinc/44/11/78/454441178.db2.gz ORDMMNXGBHIRIX-UHFFFAOYSA-N 2 1 345.531 3.475 20 0 EGADMP CC(C)(C)[N@H+]1CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000063727988 454442282 /nfs/dbraw/zinc/44/22/82/454442282.db2.gz NMDFMGRCKCSLCM-UHFFFAOYSA-N 2 1 343.515 3.229 20 0 EGADMP CC[C@](C)(COc1ncccc1Cl)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000091686662 454457498 /nfs/dbraw/zinc/45/74/98/454457498.db2.gz PTHSUGJFUZRNPP-WMLDXEAASA-N 2 1 325.884 3.356 20 0 EGADMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1C ZINC000073895191 454499194 /nfs/dbraw/zinc/49/91/94/454499194.db2.gz VNAPCZPMULZJDG-HXUWFJFHSA-N 2 1 348.531 3.156 20 0 EGADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1C ZINC000073895191 454499199 /nfs/dbraw/zinc/49/91/99/454499199.db2.gz VNAPCZPMULZJDG-HXUWFJFHSA-N 2 1 348.531 3.156 20 0 EGADMP CCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC1CCCCC1 ZINC000092187609 454533678 /nfs/dbraw/zinc/53/36/78/454533678.db2.gz DPCYUURPEBQUKK-UHFFFAOYSA-N 2 1 345.535 3.021 20 0 EGADMP CCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC1CCCCC1 ZINC000092187609 454533682 /nfs/dbraw/zinc/53/36/82/454533682.db2.gz DPCYUURPEBQUKK-UHFFFAOYSA-N 2 1 345.535 3.021 20 0 EGADMP C[N@H+](CCC[NH2+]Cc1c[nH]nc1-c1cccnc1)C1CCCCC1 ZINC000065459421 454570836 /nfs/dbraw/zinc/57/08/36/454570836.db2.gz BUAXCRYZCPCNJI-UHFFFAOYSA-N 2 1 327.476 3.216 20 0 EGADMP C[N@@H+](CCC[NH2+]Cc1c[nH]nc1-c1cccnc1)C1CCCCC1 ZINC000065459421 454570844 /nfs/dbraw/zinc/57/08/44/454570844.db2.gz BUAXCRYZCPCNJI-UHFFFAOYSA-N 2 1 327.476 3.216 20 0 EGADMP CCc1ncc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000092587008 454590718 /nfs/dbraw/zinc/59/07/18/454590718.db2.gz ZLNCVMUQVKCMNC-GASCZTMLSA-N 2 1 337.533 3.027 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123036148 454594736 /nfs/dbraw/zinc/59/47/36/454594736.db2.gz MMJFZGPMFUAMDO-OAHLLOKOSA-N 2 1 327.472 3.108 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000105476914 454641280 /nfs/dbraw/zinc/64/12/80/454641280.db2.gz CZWVVDGNIGYDLE-UHFFFAOYSA-N 2 1 330.303 3.111 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000052209104 454662296 /nfs/dbraw/zinc/66/22/96/454662296.db2.gz AWLKVBGFAAUYIX-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000106543278 454700311 /nfs/dbraw/zinc/70/03/11/454700311.db2.gz GZSLRQBYFVMCQQ-JKSUJKDBSA-N 2 1 347.507 3.157 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCC(C)(C)[NH+]1CCCCC1 ZINC000152688146 454713233 /nfs/dbraw/zinc/71/32/33/454713233.db2.gz RAFLFTDTDULYNF-ICSRJNTNSA-N 2 1 344.547 3.146 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NCC(C)(C)[NH+]1CCCCC1 ZINC000152688146 454713235 /nfs/dbraw/zinc/71/32/35/454713235.db2.gz RAFLFTDTDULYNF-ICSRJNTNSA-N 2 1 344.547 3.146 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161779298 454722341 /nfs/dbraw/zinc/72/23/41/454722341.db2.gz BALBNWQKLGNXFS-UHFFFAOYSA-N 2 1 332.488 3.302 20 0 EGADMP CCc1cc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)c2ccccc2[nH+]1 ZINC000124869059 454777613 /nfs/dbraw/zinc/77/76/13/454777613.db2.gz WHMYHYGEYNBKHM-GOSISDBHSA-N 2 1 338.499 3.013 20 0 EGADMP CCOC[C@H]1CCC[NH+](CC(C)C[N@@H+]2CCC[C@H](COCC)C2)C1 ZINC000124967886 454786520 /nfs/dbraw/zinc/78/65/20/454786520.db2.gz WEHUEJXMPYNUOE-PMACEKPBSA-N 2 1 340.552 3.120 20 0 EGADMP COc1cccc(Oc2ncccc2C[NH2+][C@H]2CCN(C)C[C@@H]2C)c1 ZINC000162726252 454796647 /nfs/dbraw/zinc/79/66/47/454796647.db2.gz UQPBLGKNXGWEAN-KXBFYZLASA-N 2 1 341.455 3.312 20 0 EGADMP CC[N@H+]1CC[C@@H](NCC2([NH+]3CCSCC3)CCCCC2)[C@H](C)C1 ZINC000163031477 454818628 /nfs/dbraw/zinc/81/86/28/454818628.db2.gz GKOABNYTRJIBHR-QZTJIDSGSA-N 2 1 339.593 3.058 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]CC2(N3CCSCC3)CCCCC2)[C@H](C)C1 ZINC000163031477 454818631 /nfs/dbraw/zinc/81/86/31/454818631.db2.gz GKOABNYTRJIBHR-QZTJIDSGSA-N 2 1 339.593 3.058 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(N3CCSCC3)CCCCC2)[C@H](C)C1 ZINC000163031477 454818636 /nfs/dbraw/zinc/81/86/36/454818636.db2.gz GKOABNYTRJIBHR-QZTJIDSGSA-N 2 1 339.593 3.058 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000266861963 455465049 /nfs/dbraw/zinc/46/50/49/455465049.db2.gz VAMXGHYYKVMANW-QZTJIDSGSA-N 2 1 333.520 3.134 20 0 EGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCc2ccccc21 ZINC000182241040 455469763 /nfs/dbraw/zinc/46/97/63/455469763.db2.gz XYYMWVKEFTZBSU-IRLDBZIGSA-N 2 1 336.479 3.420 20 0 EGADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000165884425 454905417 /nfs/dbraw/zinc/90/54/17/454905417.db2.gz YRLORWGMBOFHCI-UZLBHIALSA-N 2 1 345.531 3.441 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000126774023 454917474 /nfs/dbraw/zinc/91/74/74/454917474.db2.gz XEPWYMHGZVBHDW-MAUKXSAKSA-N 2 1 332.517 3.435 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000126774023 454917476 /nfs/dbraw/zinc/91/74/76/454917476.db2.gz XEPWYMHGZVBHDW-MAUKXSAKSA-N 2 1 332.517 3.435 20 0 EGADMP CC[C@H](CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[NH+]1CCCC1 ZINC000151657571 455013873 /nfs/dbraw/zinc/01/38/73/455013873.db2.gz SUAMFNPAGWLJDM-PKOBYXMFSA-N 2 1 333.520 3.152 20 0 EGADMP COc1cc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc(OC)c1OC ZINC000171141803 455036064 /nfs/dbraw/zinc/03/60/64/455036064.db2.gz OOOBVJHMFZYJKI-CABCVRRESA-N 2 1 336.476 3.095 20 0 EGADMP CCSc1ccccc1[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128340802 455047029 /nfs/dbraw/zinc/04/70/29/455047029.db2.gz KYGXEZZPRDOJHJ-QGZVFWFLSA-N 2 1 335.561 3.477 20 0 EGADMP CC(C)CC[C@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000623646997 460658862 /nfs/dbraw/zinc/65/88/62/460658862.db2.gz VTIHXGLYGAYJDI-HXUWFJFHSA-N 2 1 336.495 3.219 20 0 EGADMP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)c2ccccc2)CC1 ZINC000600965636 460659053 /nfs/dbraw/zinc/65/90/53/460659053.db2.gz RCKPOLTZXJZZRV-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CCOCc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OC ZINC000179851913 455089147 /nfs/dbraw/zinc/08/91/47/455089147.db2.gz YVKKWQDDLMTKPR-SFHVURJKSA-N 2 1 332.488 3.149 20 0 EGADMP CCOCc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OC ZINC000179851913 455089150 /nfs/dbraw/zinc/08/91/50/455089150.db2.gz YVKKWQDDLMTKPR-SFHVURJKSA-N 2 1 332.488 3.149 20 0 EGADMP CC(C)[NH+](CCN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000156255393 455098011 /nfs/dbraw/zinc/09/80/11/455098011.db2.gz CFBNTYZHCZJEJR-ICSRJNTNSA-N 2 1 332.536 3.000 20 0 EGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000623655857 460662671 /nfs/dbraw/zinc/66/26/71/460662671.db2.gz HPXMKZOZRGYLFE-GOSISDBHSA-N 2 1 339.483 3.482 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000623655857 460662678 /nfs/dbraw/zinc/66/26/78/460662678.db2.gz HPXMKZOZRGYLFE-GOSISDBHSA-N 2 1 339.483 3.482 20 0 EGADMP COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000119192690 455130850 /nfs/dbraw/zinc/13/08/50/455130850.db2.gz KZHNXLABBJEGKI-GGPKGHCWSA-N 2 1 345.531 3.295 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000172197562 455134165 /nfs/dbraw/zinc/13/41/65/455134165.db2.gz ZRBJUINUEREQED-LJQANCHMSA-N 2 1 325.456 3.044 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000172197562 455134166 /nfs/dbraw/zinc/13/41/66/455134166.db2.gz ZRBJUINUEREQED-LJQANCHMSA-N 2 1 325.456 3.044 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000156678955 455144241 /nfs/dbraw/zinc/14/42/41/455144241.db2.gz OVXJRCWOSHHAQI-GOSISDBHSA-N 2 1 347.522 3.154 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000623657082 460665047 /nfs/dbraw/zinc/66/50/47/460665047.db2.gz JHMXZHVAXHBCGY-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000623657082 460665051 /nfs/dbraw/zinc/66/50/51/460665051.db2.gz JHMXZHVAXHBCGY-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000623657082 460665054 /nfs/dbraw/zinc/66/50/54/460665054.db2.gz JHMXZHVAXHBCGY-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000623657082 460665056 /nfs/dbraw/zinc/66/50/56/460665056.db2.gz JHMXZHVAXHBCGY-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000623657082 460665059 /nfs/dbraw/zinc/66/50/59/460665059.db2.gz JHMXZHVAXHBCGY-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000623657082 460665064 /nfs/dbraw/zinc/66/50/64/460665064.db2.gz JHMXZHVAXHBCGY-NRSPTQNISA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000623657082 460665066 /nfs/dbraw/zinc/66/50/66/460665066.db2.gz JHMXZHVAXHBCGY-NRSPTQNISA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000623657082 460665069 /nfs/dbraw/zinc/66/50/69/460665069.db2.gz JHMXZHVAXHBCGY-NRSPTQNISA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000623657082 460665072 /nfs/dbraw/zinc/66/50/72/460665072.db2.gz JHMXZHVAXHBCGY-NRSPTQNISA-N 3 1 329.532 3.361 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000237270065 455166844 /nfs/dbraw/zinc/16/68/44/455166844.db2.gz YKKCLJWIWROTEV-LJQANCHMSA-N 2 1 337.467 3.257 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000182805867 455168337 /nfs/dbraw/zinc/16/83/37/455168337.db2.gz ZMCGOAOGXBRJNE-GJYPPUQNSA-N 2 1 333.545 3.376 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(C[NH3+])o2)cc1 ZINC000237351790 455176633 /nfs/dbraw/zinc/17/66/33/455176633.db2.gz JYRJVBIANFRTNV-CQSZACIVSA-N 2 1 327.428 3.365 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)C2([NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000237584898 455196695 /nfs/dbraw/zinc/19/66/95/455196695.db2.gz CENOIXQGBWWDSP-IEBWSBKVSA-N 2 1 343.515 3.160 20 0 EGADMP C[N@@H+](Cc1cccc2[nH]ccc21)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190310937 455295854 /nfs/dbraw/zinc/29/58/54/455295854.db2.gz RJZUEWVRBZGYPY-QFIPXVFZSA-N 2 1 349.478 3.237 20 0 EGADMP C[NH+](Cc1cccc2[nH]ccc21)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190310937 455295860 /nfs/dbraw/zinc/29/58/60/455295860.db2.gz RJZUEWVRBZGYPY-QFIPXVFZSA-N 2 1 349.478 3.237 20 0 EGADMP C[NH+](Cc1cccc2[nH]ccc21)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190310937 455295866 /nfs/dbraw/zinc/29/58/66/455295866.db2.gz RJZUEWVRBZGYPY-QFIPXVFZSA-N 2 1 349.478 3.237 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000245442762 455301475 /nfs/dbraw/zinc/30/14/75/455301475.db2.gz IHMYMNLVRZOFNM-CABCVRRESA-N 2 1 337.895 3.249 20 0 EGADMP COC(=O)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000245607067 455340237 /nfs/dbraw/zinc/34/02/37/455340237.db2.gz AJUOTKDDSJZCLO-LPHOPBHVSA-N 2 1 346.446 3.061 20 0 EGADMP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000246015946 455414693 /nfs/dbraw/zinc/41/46/93/455414693.db2.gz LRWVADXGZRXOJC-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC[N@@H+]1C ZINC000246040519 455416631 /nfs/dbraw/zinc/41/66/31/455416631.db2.gz XABASHUGIPSPTK-MCIONIFRSA-N 2 1 325.859 3.130 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC[N@H+]1C ZINC000246040519 455416634 /nfs/dbraw/zinc/41/66/34/455416634.db2.gz XABASHUGIPSPTK-MCIONIFRSA-N 2 1 325.859 3.130 20 0 EGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246347542 455474147 /nfs/dbraw/zinc/47/41/47/455474147.db2.gz HJIZQVCTTVBQMB-IPYPFGDCSA-N 2 1 325.294 3.452 20 0 EGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246347542 455474149 /nfs/dbraw/zinc/47/41/49/455474149.db2.gz HJIZQVCTTVBQMB-IPYPFGDCSA-N 2 1 325.294 3.452 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000185161886 455514235 /nfs/dbraw/zinc/51/42/35/455514235.db2.gz BHLVTMYKLYKSMY-UHFFFAOYSA-N 2 1 346.862 3.310 20 0 EGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccco1 ZINC000246821041 455527689 /nfs/dbraw/zinc/52/76/89/455527689.db2.gz BEFKQCSGVJLJBE-HKUYNNGSSA-N 2 1 327.472 3.309 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000247188595 455571226 /nfs/dbraw/zinc/57/12/26/455571226.db2.gz ZUAGGKGEYDPUKJ-SFTDATJTSA-N 2 1 329.532 3.015 20 0 EGADMP CC[N@H+]1CC[C@H](NCc2cc(OC)ccc2OC(F)F)[C@@H](C)C1 ZINC000247214513 455574229 /nfs/dbraw/zinc/57/42/29/455574229.db2.gz WAFWHEJAUVMQLN-WFASDCNBSA-N 2 1 328.403 3.117 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000185679805 455594077 /nfs/dbraw/zinc/59/40/77/455594077.db2.gz HKYKJJKFUDJETQ-QZTJIDSGSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000185679805 455594079 /nfs/dbraw/zinc/59/40/79/455594079.db2.gz HKYKJJKFUDJETQ-QZTJIDSGSA-N 2 1 343.515 3.485 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000292206725 455596411 /nfs/dbraw/zinc/59/64/11/455596411.db2.gz YOBDRYRIGOYLLC-FXAWDEMLSA-N 2 1 343.515 3.067 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185688011 455597315 /nfs/dbraw/zinc/59/73/15/455597315.db2.gz UYQSOCBRYBRFAF-HFSMHLIXSA-N 2 1 330.516 3.223 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]CCCCCOc2ccccc2)CCCO1 ZINC000277572591 455602387 /nfs/dbraw/zinc/60/23/87/455602387.db2.gz SRVIOQBFBUIKIQ-IBGZPJMESA-N 2 1 334.504 3.326 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185724781 455606624 /nfs/dbraw/zinc/60/66/24/455606624.db2.gz GTXQURIBFTVXGI-FUHIMQAGSA-N 2 1 341.499 3.035 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724781 455606630 /nfs/dbraw/zinc/60/66/30/455606630.db2.gz GTXQURIBFTVXGI-FUHIMQAGSA-N 2 1 341.499 3.035 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749836 455614550 /nfs/dbraw/zinc/61/45/50/455614550.db2.gz SMAQOXOFRWZYPD-LPHOPBHVSA-N 2 1 343.515 3.131 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749836 455614555 /nfs/dbraw/zinc/61/45/55/455614555.db2.gz SMAQOXOFRWZYPD-LPHOPBHVSA-N 2 1 343.515 3.131 20 0 EGADMP COC(=O)C1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC000192440242 455616198 /nfs/dbraw/zinc/61/61/98/455616198.db2.gz BSNZHSFYYMRDAO-UHFFFAOYSA-N 2 1 345.418 3.141 20 0 EGADMP COc1ccccc1OCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185761059 455617112 /nfs/dbraw/zinc/61/71/12/455617112.db2.gz ZLKZPYWAIWBSHR-DLBZAZTESA-N 2 1 332.488 3.317 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc(C)ccc1OC ZINC000271469086 455648492 /nfs/dbraw/zinc/64/84/92/455648492.db2.gz HDXRSCLCWNZBNN-XUVXKRRUSA-N 2 1 346.515 3.422 20 0 EGADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000284244505 455656564 /nfs/dbraw/zinc/65/65/64/455656564.db2.gz VHBPZGHDSSLKHS-SFTDATJTSA-N 2 1 340.515 3.062 20 0 EGADMP CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OCC ZINC000247934324 455656639 /nfs/dbraw/zinc/65/66/39/455656639.db2.gz CHLGGWLFSQZJFV-ZWKOTPCHSA-N 2 1 332.488 3.400 20 0 EGADMP CCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OCC ZINC000247934324 455656643 /nfs/dbraw/zinc/65/66/43/455656643.db2.gz CHLGGWLFSQZJFV-ZWKOTPCHSA-N 2 1 332.488 3.400 20 0 EGADMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OCC ZINC000247934324 455656647 /nfs/dbraw/zinc/65/66/47/455656647.db2.gz CHLGGWLFSQZJFV-ZWKOTPCHSA-N 2 1 332.488 3.400 20 0 EGADMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1OCC ZINC000247934324 455656651 /nfs/dbraw/zinc/65/66/51/455656651.db2.gz CHLGGWLFSQZJFV-ZWKOTPCHSA-N 2 1 332.488 3.400 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc(F)c(F)c(F)c1 ZINC000271500673 455661349 /nfs/dbraw/zinc/66/13/49/455661349.db2.gz LWFOHIJMCFVNDX-GOPGUHFVSA-N 2 1 342.405 3.132 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCOc2ncccc2F)cc1 ZINC000271513659 455667350 /nfs/dbraw/zinc/66/73/50/455667350.db2.gz OIRNUIWNQQHGOZ-CQSZACIVSA-N 2 1 340.402 3.444 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2cc3ccccc3o2)CC1 ZINC000192751536 455685490 /nfs/dbraw/zinc/68/54/90/455685490.db2.gz MSGHPJVYMLJZLE-UHFFFAOYSA-N 2 1 329.488 3.281 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+](CCC(F)(F)F)CC2CC2)CC1 ZINC000192755142 455686864 /nfs/dbraw/zinc/68/68/64/455686864.db2.gz RADKITFMTZYELC-UHFFFAOYSA-N 2 1 335.458 3.067 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000186093742 455692751 /nfs/dbraw/zinc/69/27/51/455692751.db2.gz IZJFQWQYNAGSEV-FQEVSTJZSA-N 2 1 327.472 3.305 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000186093742 455692759 /nfs/dbraw/zinc/69/27/59/455692759.db2.gz IZJFQWQYNAGSEV-FQEVSTJZSA-N 2 1 327.472 3.305 20 0 EGADMP C[N@H+]1CCC[C@H]2CN(Cc3coc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000248178128 455694873 /nfs/dbraw/zinc/69/48/73/455694873.db2.gz VZPPTTSJSYNWJH-MAUKXSAKSA-N 2 1 329.419 3.397 20 0 EGADMP c1cn(-c2ccc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)cn1 ZINC000192924213 455719927 /nfs/dbraw/zinc/71/99/27/455719927.db2.gz QYYMUHKADKVNMH-OAQYLSRUSA-N 2 1 346.478 3.484 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000271688510 455722802 /nfs/dbraw/zinc/72/28/02/455722802.db2.gz JTVJTEOYNSZRED-ZBEGNZNMSA-N 2 1 331.287 3.489 20 0 EGADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2csc(C(C)C)n2)CC1 ZINC000186243088 455724419 /nfs/dbraw/zinc/72/44/19/455724419.db2.gz PZJWCASJMFAQOM-INIZCTEOSA-N 2 1 338.565 3.335 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000616991598 460689583 /nfs/dbraw/zinc/68/95/83/460689583.db2.gz BSGRQEFIMHSRIX-SFHVURJKSA-N 2 1 343.515 3.133 20 0 EGADMP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CCCn3cc[nH+]c3C)ccc2NC1=O ZINC000271739913 455740775 /nfs/dbraw/zinc/74/07/75/455740775.db2.gz PJCNQBOSEQEMLJ-DYVFJYSZSA-N 2 1 342.443 3.042 20 0 EGADMP C[C@H]([NH2+]Cc1cnn(CC(F)F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000292744334 455745458 /nfs/dbraw/zinc/74/54/58/455745458.db2.gz QUKJJWLQQRMPGY-YJBOKZPZSA-N 2 1 348.441 3.148 20 0 EGADMP C[C@H]([NH2+]Cc1cnn(CC(F)F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000292744325 455745756 /nfs/dbraw/zinc/74/57/56/455745756.db2.gz QUKJJWLQQRMPGY-MAUKXSAKSA-N 2 1 348.441 3.148 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)N2CCCc3ccccc32)CC1 ZINC000284927295 455763130 /nfs/dbraw/zinc/76/31/30/455763130.db2.gz ICGSALRJTCUHBK-UHFFFAOYSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000269024950 455766184 /nfs/dbraw/zinc/76/61/84/455766184.db2.gz REBKNTLXHLPZRR-IGGJEDBVSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269024950 455766189 /nfs/dbraw/zinc/76/61/89/455766189.db2.gz REBKNTLXHLPZRR-IGGJEDBVSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269024950 455766194 /nfs/dbraw/zinc/76/61/94/455766194.db2.gz REBKNTLXHLPZRR-IGGJEDBVSA-N 2 1 327.516 3.112 20 0 EGADMP CC(C)CNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000249748145 455773137 /nfs/dbraw/zinc/77/31/37/455773137.db2.gz FIKNLFDROBTZPV-QZTJIDSGSA-N 2 1 345.531 3.169 20 0 EGADMP CCN(CC)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000249776596 455775935 /nfs/dbraw/zinc/77/59/35/455775935.db2.gz XBTIUVFGVWBVSS-QZTJIDSGSA-N 2 1 345.531 3.408 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186491226 455780167 /nfs/dbraw/zinc/78/01/67/455780167.db2.gz WPYRKSHLQNXXKL-LPHOPBHVSA-N 2 1 342.487 3.204 20 0 EGADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccsc1 ZINC000269068382 455781335 /nfs/dbraw/zinc/78/13/35/455781335.db2.gz WGRAFYAZGPVUJA-IPELMVKDSA-N 2 1 330.497 3.282 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000269070249 455782343 /nfs/dbraw/zinc/78/23/43/455782343.db2.gz MPZIESRRICTKLA-DLPLYFIVSA-N 2 1 333.435 3.490 20 0 EGADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C(=O)NC(C)(C)C ZINC000285048462 455783067 /nfs/dbraw/zinc/78/30/67/455783067.db2.gz IKBNYCBTORCQOK-IVMQYODDSA-N 2 1 345.531 3.322 20 0 EGADMP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000194018481 455793236 /nfs/dbraw/zinc/79/32/36/455793236.db2.gz BKDSTCHPAKNSSV-OKZBNKHCSA-N 2 1 345.531 3.311 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000269128893 455795150 /nfs/dbraw/zinc/79/51/50/455795150.db2.gz IIKUSSOWMWWPNW-LJQANCHMSA-N 2 1 331.435 3.402 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000269128893 455795153 /nfs/dbraw/zinc/79/51/53/455795153.db2.gz IIKUSSOWMWWPNW-LJQANCHMSA-N 2 1 331.435 3.402 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000269300301 455830689 /nfs/dbraw/zinc/83/06/89/455830689.db2.gz XJKLHHISMCDCLR-APWZRJJASA-N 2 1 331.504 3.118 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000186875649 455846214 /nfs/dbraw/zinc/84/62/14/455846214.db2.gz GAYHQLPOQVPIQG-QMMLZNLJSA-N 2 1 329.532 3.217 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000186875649 455846219 /nfs/dbraw/zinc/84/62/19/455846219.db2.gz GAYHQLPOQVPIQG-QMMLZNLJSA-N 3 1 329.532 3.217 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000186875649 455846223 /nfs/dbraw/zinc/84/62/23/455846223.db2.gz GAYHQLPOQVPIQG-QMMLZNLJSA-N 3 1 329.532 3.217 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C2CC2)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000186875649 455846226 /nfs/dbraw/zinc/84/62/26/455846226.db2.gz GAYHQLPOQVPIQG-QMMLZNLJSA-N 3 1 329.532 3.217 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C2CC2)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000186875649 455846234 /nfs/dbraw/zinc/84/62/34/455846234.db2.gz GAYHQLPOQVPIQG-QMMLZNLJSA-N 3 1 329.532 3.217 20 0 EGADMP Cc1cnn(C)c1C[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000285484533 455856245 /nfs/dbraw/zinc/85/62/45/455856245.db2.gz OWKAGYWXMJDKRR-CALCHBBNSA-N 2 1 340.515 3.496 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)c2nccn2C)cc1 ZINC000620595163 460698804 /nfs/dbraw/zinc/69/88/04/460698804.db2.gz JGJNCPAUECLIHC-OAHLLOKOSA-N 2 1 328.460 3.143 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OC(F)F ZINC000261600210 455909730 /nfs/dbraw/zinc/90/97/30/455909730.db2.gz AZXGMHXUSDCFTN-RRFJBIMHSA-N 2 1 340.414 3.246 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Br)c4cccnc34)C[C@H]12 ZINC000261612657 455913331 /nfs/dbraw/zinc/91/33/31/455913331.db2.gz FEAGHVSYXSZCDQ-DIOULYMOSA-N 2 1 346.272 3.166 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Br)c4cccnc34)C[C@H]12 ZINC000261612657 455913335 /nfs/dbraw/zinc/91/33/35/455913335.db2.gz FEAGHVSYXSZCDQ-DIOULYMOSA-N 2 1 346.272 3.166 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272332338 455916829 /nfs/dbraw/zinc/91/68/29/455916829.db2.gz NEORSPMJMRHIHI-TXPKVOOTSA-N 2 1 326.488 3.290 20 0 EGADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000296365935 455919889 /nfs/dbraw/zinc/91/98/89/455919889.db2.gz IZTUJEVZTKWXLK-OUQUZMNPSA-N 2 1 342.483 3.383 20 0 EGADMP c1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000261728997 455937340 /nfs/dbraw/zinc/93/73/40/455937340.db2.gz RNQZSCPWDAYBMS-NCYKPQTJSA-N 2 1 327.516 3.334 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000187756440 455949249 /nfs/dbraw/zinc/94/92/49/455949249.db2.gz FDDVVAIZSRKZII-JJTUDDRGSA-N 2 1 339.524 3.093 20 0 EGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000261829645 455956182 /nfs/dbraw/zinc/95/61/82/455956182.db2.gz PXDKGRYIVLMELD-OAQYLSRUSA-N 2 1 347.466 3.105 20 0 EGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)CC[C@H]3CC[NH2+]C3)c2C1 ZINC000261853614 455958982 /nfs/dbraw/zinc/95/89/82/455958982.db2.gz OYIHRINDEBMJOH-INIZCTEOSA-N 2 1 329.488 3.377 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C3CC[NH+](C4CC4)CC3)c2C1 ZINC000195447155 455962959 /nfs/dbraw/zinc/96/29/59/455962959.db2.gz HUIAXWPEFJTYKF-UHFFFAOYSA-N 2 1 327.472 3.225 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)C3CC[NH+](C4CC4)CC3)c2C1 ZINC000195447155 455962965 /nfs/dbraw/zinc/96/29/65/455962965.db2.gz HUIAXWPEFJTYKF-UHFFFAOYSA-N 2 1 327.472 3.225 20 0 EGADMP CCOc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000261882622 455964661 /nfs/dbraw/zinc/96/46/61/455964661.db2.gz MSKOBOQDZAVITA-CQSZACIVSA-N 2 1 328.403 3.261 20 0 EGADMP C[NH+]1CCC(C)(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000272489915 455969422 /nfs/dbraw/zinc/96/94/22/455969422.db2.gz CBIJWGZETUXFEN-UHFFFAOYSA-N 3 1 347.522 3.154 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cc(F)ncc2F)cc1 ZINC000296558106 455973558 /nfs/dbraw/zinc/97/35/58/455973558.db2.gz VAOBEHVUAWNQNW-UHFFFAOYSA-N 2 1 349.425 3.370 20 0 EGADMP C[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000261939938 455974751 /nfs/dbraw/zinc/97/47/51/455974751.db2.gz DOCBTNUPTPIADK-HOCLYGCPSA-N 2 1 339.277 3.204 20 0 EGADMP CCN(CC)C(=O)CCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272526276 455982276 /nfs/dbraw/zinc/98/22/76/455982276.db2.gz AKGXMQOMCWLMGZ-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(N(C)C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272531229 455984554 /nfs/dbraw/zinc/98/45/54/455984554.db2.gz ARBHAAONYZPMEV-PKOBYXMFSA-N 2 1 338.499 3.148 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(N(C)C)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272531229 455984556 /nfs/dbraw/zinc/98/45/56/455984556.db2.gz ARBHAAONYZPMEV-PKOBYXMFSA-N 2 1 338.499 3.148 20 0 EGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000188118688 456001826 /nfs/dbraw/zinc/00/18/26/456001826.db2.gz MXNGXGJUTZEKOU-DZGCQCFKSA-N 2 1 337.305 3.454 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000270663972 456008838 /nfs/dbraw/zinc/00/88/38/456008838.db2.gz PJTNTURPVXKEIV-GOSISDBHSA-N 2 1 341.480 3.489 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000270663972 456008850 /nfs/dbraw/zinc/00/88/50/456008850.db2.gz PJTNTURPVXKEIV-GOSISDBHSA-N 2 1 341.480 3.489 20 0 EGADMP CC1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)COC1 ZINC000286263281 456012139 /nfs/dbraw/zinc/01/21/39/456012139.db2.gz VBNLVHWNIJGSBZ-VAMGGRTRSA-N 2 1 328.500 3.303 20 0 EGADMP Cc1ccc([C@H](O)C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000272657436 456028799 /nfs/dbraw/zinc/02/87/99/456028799.db2.gz LZJTYXRPFUMVBX-QXAKKESOSA-N 2 1 328.456 3.122 20 0 EGADMP C[NH+](C)CCOc1cc(CNc2cc[nH+]c3ccsc32)ccn1 ZINC000270751452 456030255 /nfs/dbraw/zinc/03/02/55/456030255.db2.gz YICOCWRDLGIVCZ-UHFFFAOYSA-N 2 1 328.441 3.244 20 0 EGADMP O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000262473164 456038544 /nfs/dbraw/zinc/03/85/44/456038544.db2.gz JJSKGHGPMHBPEO-SMDDNHRTSA-N 2 1 342.270 3.006 20 0 EGADMP O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000262473164 456038548 /nfs/dbraw/zinc/03/85/48/456038548.db2.gz JJSKGHGPMHBPEO-SMDDNHRTSA-N 2 1 342.270 3.006 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000270888481 456060161 /nfs/dbraw/zinc/06/01/61/456060161.db2.gz XFKQDYJUJRAATB-HZPDHXFCSA-N 2 1 340.254 3.088 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000270888481 456060164 /nfs/dbraw/zinc/06/01/64/456060164.db2.gz XFKQDYJUJRAATB-HZPDHXFCSA-N 2 1 340.254 3.088 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000270921166 456068464 /nfs/dbraw/zinc/06/84/64/456068464.db2.gz VGSPUNQKJQQHML-UHFFFAOYSA-N 2 1 342.270 3.383 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000270921166 456068471 /nfs/dbraw/zinc/06/84/71/456068471.db2.gz VGSPUNQKJQQHML-UHFFFAOYSA-N 2 1 342.270 3.383 20 0 EGADMP CC(C)n1nccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000280890811 456073369 /nfs/dbraw/zinc/07/33/69/456073369.db2.gz NUXGSBAOKMNZAP-FXAWDEMLSA-N 2 1 326.488 3.464 20 0 EGADMP CC(C)n1nccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000280890811 456073374 /nfs/dbraw/zinc/07/33/74/456073374.db2.gz NUXGSBAOKMNZAP-FXAWDEMLSA-N 2 1 326.488 3.464 20 0 EGADMP Cc1nc2ccccc2n1C[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000271004667 456094047 /nfs/dbraw/zinc/09/40/47/456094047.db2.gz KWLJSHVKVJASGN-QZTJIDSGSA-N 2 1 326.488 3.293 20 0 EGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000271004667 456094048 /nfs/dbraw/zinc/09/40/48/456094048.db2.gz KWLJSHVKVJASGN-QZTJIDSGSA-N 2 1 326.488 3.293 20 0 EGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000271004667 456094051 /nfs/dbraw/zinc/09/40/51/456094051.db2.gz KWLJSHVKVJASGN-QZTJIDSGSA-N 2 1 326.488 3.293 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263258855 456116426 /nfs/dbraw/zinc/11/64/26/456116426.db2.gz QSWBEJZHGXWGRS-QUCCMNQESA-N 2 1 331.504 3.051 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000272960537 456125845 /nfs/dbraw/zinc/12/58/45/456125845.db2.gz FTROEQPJYGHRTM-UHFFFAOYSA-N 2 1 331.504 3.038 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000273024471 456148887 /nfs/dbraw/zinc/14/88/87/456148887.db2.gz XGNVHYSSAVGFOS-DYESRHJHSA-N 2 1 340.442 3.169 20 0 EGADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000236888949 456197342 /nfs/dbraw/zinc/19/73/42/456197342.db2.gz AEIYQVNWPMRGTK-FCEWJHQRSA-N 2 1 331.504 3.051 20 0 EGADMP Cc1cccc(C[C@@H](CO)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000189015156 456201247 /nfs/dbraw/zinc/20/12/47/456201247.db2.gz RYZCTBZOLVPHHT-QFIPXVFZSA-N 2 1 338.495 3.153 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1)C(C)C ZINC000236923808 456202716 /nfs/dbraw/zinc/20/27/16/456202716.db2.gz MEAHRCJNMSQVIM-HXUWFJFHSA-N 2 1 333.520 3.410 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000281346988 456209886 /nfs/dbraw/zinc/20/98/86/456209886.db2.gz TUOOOQQIEFJXGO-UHFFFAOYSA-N 2 1 328.460 3.003 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000281346988 456209892 /nfs/dbraw/zinc/20/98/92/456209892.db2.gz TUOOOQQIEFJXGO-UHFFFAOYSA-N 2 1 328.460 3.003 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000281599530 456273909 /nfs/dbraw/zinc/27/39/09/456273909.db2.gz DDJJGPFDNGTRJY-UHFFFAOYSA-N 2 1 345.531 3.476 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000290263440 456276395 /nfs/dbraw/zinc/27/63/95/456276395.db2.gz VLXHKLATWBIMEX-QGZVFWFLSA-N 2 1 335.511 3.151 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3csc(-c4ccccn4)n3)C2)CC1 ZINC000290328817 456294429 /nfs/dbraw/zinc/29/44/29/456294429.db2.gz DOLWUIDXZNIUPS-MRXNPFEDSA-N 2 1 342.512 3.369 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)C[C@H]1c1ccccc1 ZINC000340180243 456296067 /nfs/dbraw/zinc/29/60/67/456296067.db2.gz JFADEQGBFUKGTJ-OALUTQOASA-N 2 1 338.451 3.383 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)C[C@H]1c1ccccc1 ZINC000340180243 456296073 /nfs/dbraw/zinc/29/60/73/456296073.db2.gz JFADEQGBFUKGTJ-OALUTQOASA-N 2 1 338.451 3.383 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1OC ZINC000290339900 456297374 /nfs/dbraw/zinc/29/73/74/456297374.db2.gz FICBKLYALTZSOG-GOSISDBHSA-N 2 1 332.488 3.258 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000275760603 456306818 /nfs/dbraw/zinc/30/68/18/456306818.db2.gz SUUJOKQMAXMTCY-COPCDDAFSA-N 2 1 338.495 3.233 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000275760603 456306826 /nfs/dbraw/zinc/30/68/26/456306826.db2.gz SUUJOKQMAXMTCY-COPCDDAFSA-N 2 1 338.495 3.233 20 0 EGADMP C[N@H+]1CC[C@H](NC2CC[NH+](C3CCC3)CC2)C[C@H]1c1ccccc1 ZINC000340204642 456313799 /nfs/dbraw/zinc/31/37/99/456313799.db2.gz YFCHOCLILCQHCC-FPOVZHCZSA-N 2 1 327.516 3.428 20 0 EGADMP CC[C@H](C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1)[NH+]1CCCC1 ZINC000275789599 456314544 /nfs/dbraw/zinc/31/45/44/456314544.db2.gz YJNWGPDWIGMRMR-UXHICEINSA-N 2 1 341.503 3.182 20 0 EGADMP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000275808121 456320416 /nfs/dbraw/zinc/32/04/16/456320416.db2.gz IHVLGAACUKRNOJ-IBGZPJMESA-N 2 1 329.488 3.136 20 0 EGADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340247949 456340383 /nfs/dbraw/zinc/34/03/83/456340383.db2.gz SDWGPTLSWWKAHJ-ZRCAFCQKSA-N 2 1 340.515 3.393 20 0 EGADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340247949 456340390 /nfs/dbraw/zinc/34/03/90/456340390.db2.gz SDWGPTLSWWKAHJ-ZRCAFCQKSA-N 2 1 340.515 3.393 20 0 EGADMP O[C@H]1CCC[C@]1(C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccc(F)cc1 ZINC000298023361 456346129 /nfs/dbraw/zinc/34/61/29/456346129.db2.gz DWPDHLOQVIGHJD-LEWJYISDSA-N 2 1 346.490 3.116 20 0 EGADMP Cc1cn2c(n1)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c3ccccc3)C1)CCC2 ZINC000340258012 456347209 /nfs/dbraw/zinc/34/72/09/456347209.db2.gz ZDGJMWNKHOELPW-SLFFLAALSA-N 2 1 338.499 3.494 20 0 EGADMP Cc1cn2c(n1)[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](c3ccccc3)C1)CCC2 ZINC000340258012 456347212 /nfs/dbraw/zinc/34/72/12/456347212.db2.gz ZDGJMWNKHOELPW-SLFFLAALSA-N 2 1 338.499 3.494 20 0 EGADMP CCOCc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1OC ZINC000290542211 456359345 /nfs/dbraw/zinc/35/93/45/456359345.db2.gz RHGKAJJSIQFVQH-IEBWSBKVSA-N 2 1 332.488 3.148 20 0 EGADMP CCOCc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1OC ZINC000290542211 456359351 /nfs/dbraw/zinc/35/93/51/456359351.db2.gz RHGKAJJSIQFVQH-IEBWSBKVSA-N 2 1 332.488 3.148 20 0 EGADMP CCOCc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1OC ZINC000290542211 456359356 /nfs/dbraw/zinc/35/93/56/456359356.db2.gz RHGKAJJSIQFVQH-IEBWSBKVSA-N 2 1 332.488 3.148 20 0 EGADMP Cc1ccc(-c2nc(CC[NH2+]C3CC[NH+](C4CC4)CC3)co2)cc1 ZINC000298220285 456394799 /nfs/dbraw/zinc/39/47/99/456394799.db2.gz AIQCAXXTCYDLTA-UHFFFAOYSA-N 2 1 325.456 3.409 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000290663589 456399359 /nfs/dbraw/zinc/39/93/59/456399359.db2.gz ZVHHVOLUHKTGDN-LAUBAEHRSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000290663589 456399366 /nfs/dbraw/zinc/39/93/66/456399366.db2.gz ZVHHVOLUHKTGDN-LAUBAEHRSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000290663589 456399367 /nfs/dbraw/zinc/39/93/67/456399367.db2.gz ZVHHVOLUHKTGDN-LAUBAEHRSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000290663589 456399376 /nfs/dbraw/zinc/39/93/76/456399376.db2.gz ZVHHVOLUHKTGDN-LAUBAEHRSA-N 2 1 339.483 3.433 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)C[C@H]1c1ccccc1 ZINC000340373056 456419476 /nfs/dbraw/zinc/41/94/76/456419476.db2.gz SQWULFPLXLQKEK-CABCVRRESA-N 2 1 348.384 3.329 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)C[C@H]1c1ccccc1 ZINC000340373056 456419480 /nfs/dbraw/zinc/41/94/80/456419480.db2.gz SQWULFPLXLQKEK-CABCVRRESA-N 2 1 348.384 3.329 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000348021928 456439944 /nfs/dbraw/zinc/43/99/44/456439944.db2.gz QHTIJXCGSWDTAR-PXNSSMCTSA-N 2 1 345.531 3.156 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1nccc2ccccc21 ZINC000290849461 456446421 /nfs/dbraw/zinc/44/64/21/456446421.db2.gz ZIVFCMKMOOGPRQ-YSSFQJQWSA-N 2 1 339.483 3.263 20 0 EGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000340419665 456449637 /nfs/dbraw/zinc/44/96/37/456449637.db2.gz YVFCCRXZRVPIIM-HOTGVXAUSA-N 2 1 342.487 3.384 20 0 EGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC000303226687 456453375 /nfs/dbraw/zinc/45/33/75/456453375.db2.gz PMLGAZSREZUJPU-YLJYHZDGSA-N 2 1 334.479 3.303 20 0 EGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC000303226687 456453382 /nfs/dbraw/zinc/45/33/82/456453382.db2.gz PMLGAZSREZUJPU-YLJYHZDGSA-N 2 1 334.479 3.303 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298453835 456460796 /nfs/dbraw/zinc/46/07/96/456460796.db2.gz OAWRONKTGDIUJZ-GOSISDBHSA-N 3 1 330.520 3.295 20 0 EGADMP CCCCC[N@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000303741440 456482472 /nfs/dbraw/zinc/48/24/72/456482472.db2.gz ZFYILAYJYSHYSD-IBGZPJMESA-N 2 1 330.520 3.106 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCO[C@H]1CCCCO1 ZINC000282371816 456492026 /nfs/dbraw/zinc/49/20/26/456492026.db2.gz CEDKDTUVVZHNIZ-PMACEKPBSA-N 2 1 346.515 3.420 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCO[C@H]1CCCCO1 ZINC000282371816 456492035 /nfs/dbraw/zinc/49/20/35/456492035.db2.gz CEDKDTUVVZHNIZ-PMACEKPBSA-N 2 1 346.515 3.420 20 0 EGADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(C)ccc1OC ZINC000282369760 456492628 /nfs/dbraw/zinc/49/26/28/456492628.db2.gz QFKUJPPKAWPKPI-GOSISDBHSA-N 2 1 333.520 3.070 20 0 EGADMP Fc1ccc(SCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000343268172 456496527 /nfs/dbraw/zinc/49/65/27/456496527.db2.gz LGYQEVPCUJAACQ-KSZLIROESA-N 2 1 338.492 3.055 20 0 EGADMP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000298601662 456499608 /nfs/dbraw/zinc/49/96/08/456499608.db2.gz ZEVAGJPRZRSQLP-GOSISDBHSA-N 2 1 331.479 3.319 20 0 EGADMP c1nc(SC2CCCC2)ncc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340519227 456505396 /nfs/dbraw/zinc/50/53/96/456505396.db2.gz VIYCLXWCDZIVBC-IRXDYDNUSA-N 2 1 346.544 3.270 20 0 EGADMP CCC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(OC)cc1 ZINC000282423992 456508279 /nfs/dbraw/zinc/50/82/79/456508279.db2.gz SUNBHQYEBHHOAC-LJQANCHMSA-N 2 1 333.520 3.152 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccncc1F ZINC000340535666 456517308 /nfs/dbraw/zinc/51/73/08/456517308.db2.gz QXBIEFUJRAQVDA-HNNXBMFYSA-N 2 1 343.446 3.028 20 0 EGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+]Cc2cccc3c2CCC3)c1 ZINC000651669212 462295966 /nfs/dbraw/zinc/29/59/66/462295966.db2.gz KXIVCRPWTJZFLM-UHFFFAOYSA-N 2 1 336.479 3.297 20 0 EGADMP CC(C)[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000353161357 456531434 /nfs/dbraw/zinc/53/14/34/456531434.db2.gz CMEUEOCCRNLTBZ-NRFANRHFSA-N 2 1 345.531 3.074 20 0 EGADMP COc1ccnc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000282515315 456537425 /nfs/dbraw/zinc/53/74/25/456537425.db2.gz OWKILVSGPOYTAF-HXUWFJFHSA-N 2 1 339.483 3.481 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(SC(F)F)cc2)CC1(C)C ZINC000282537907 456545134 /nfs/dbraw/zinc/54/51/34/456545134.db2.gz ZMBPMGYMIYXPFA-UHFFFAOYSA-N 2 1 343.487 3.117 20 0 EGADMP Cc1cc(N2CCC([NH2+]C[C@@H]3C[C@@H]3c3ccccc3)CC2)nc(C)[nH+]1 ZINC000348250548 456569890 /nfs/dbraw/zinc/56/98/90/456569890.db2.gz WYQNTIPUEMOGKH-AZUAARDMSA-N 2 1 336.483 3.456 20 0 EGADMP CC[N@@H+]1CCC[C@@H](CN(C)c2cccc(C)[nH+]2)[C@H]1c1cnn(C)c1 ZINC000337856399 456573139 /nfs/dbraw/zinc/57/31/39/456573139.db2.gz HISZXURHSGROGQ-LPHOPBHVSA-N 2 1 327.476 3.033 20 0 EGADMP CC[N@H+]1CCC[C@@H](CN(C)c2cccc(C)[nH+]2)[C@H]1c1cnn(C)c1 ZINC000337856399 456573143 /nfs/dbraw/zinc/57/31/43/456573143.db2.gz HISZXURHSGROGQ-LPHOPBHVSA-N 2 1 327.476 3.033 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCC4CCOCC4)C[C@H]3C2)cc1 ZINC000310358786 456581853 /nfs/dbraw/zinc/58/18/53/456581853.db2.gz SSMVEVJKNIKBBJ-LEWJYISDSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCC4CCOCC4)C[C@H]3C2)cc1 ZINC000310358786 456581856 /nfs/dbraw/zinc/58/18/56/456581856.db2.gz SSMVEVJKNIKBBJ-LEWJYISDSA-N 2 1 328.500 3.257 20 0 EGADMP Cc1cccc2nc(CN3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)cn21 ZINC000348318791 456618400 /nfs/dbraw/zinc/61/84/00/456618400.db2.gz BHAIIARNJYPDAP-BGYRXZFFSA-N 2 1 346.478 3.207 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000276948922 456628797 /nfs/dbraw/zinc/62/87/97/456628797.db2.gz DMTRRHACDPFHGR-IAGOWNOFSA-N 2 1 337.826 3.494 20 0 EGADMP c1cn(CCC[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000291404960 456634858 /nfs/dbraw/zinc/63/48/58/456634858.db2.gz FQZKFWHTESBXPK-UHFFFAOYSA-N 2 1 338.499 3.261 20 0 EGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000343468602 456643315 /nfs/dbraw/zinc/64/33/15/456643315.db2.gz LUGCRXZQHPIJKR-AQNXPRMDSA-N 2 1 345.531 3.243 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)CC1 ZINC000282850313 456644522 /nfs/dbraw/zinc/64/45/22/456644522.db2.gz BEZRUNLKPSCRAV-RBBKRZOGSA-N 2 1 343.559 3.356 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(-c2cnn(C)c2)c1 ZINC000282853751 456646300 /nfs/dbraw/zinc/64/63/00/456646300.db2.gz TVKCZIINEGPQMD-NQIIRXRSSA-N 2 1 338.499 3.312 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(-c2cnn(C)c2)c1 ZINC000282853751 456646309 /nfs/dbraw/zinc/64/63/09/456646309.db2.gz TVKCZIINEGPQMD-NQIIRXRSSA-N 2 1 338.499 3.312 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(-c2cnn(C)c2)c1 ZINC000282853751 456646321 /nfs/dbraw/zinc/64/63/21/456646321.db2.gz TVKCZIINEGPQMD-NQIIRXRSSA-N 2 1 338.499 3.312 20 0 EGADMP O[C@@H]1CCC[C@]1(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000277012497 456652983 /nfs/dbraw/zinc/65/29/83/456652983.db2.gz CELICMMBLCHHBX-PLACYPQZSA-N 2 1 346.490 3.116 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000338165590 456678989 /nfs/dbraw/zinc/67/89/89/456678989.db2.gz VLPUQWRDANMKLJ-UHFFFAOYSA-N 2 1 329.288 3.398 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000338165590 456678995 /nfs/dbraw/zinc/67/89/95/456678995.db2.gz VLPUQWRDANMKLJ-UHFFFAOYSA-N 2 1 329.288 3.398 20 0 EGADMP CCn1nccc1C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000283022907 456691704 /nfs/dbraw/zinc/69/17/04/456691704.db2.gz PQKMJALHNVBHFE-LJQANCHMSA-N 2 1 326.488 3.293 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000338187554 456692718 /nfs/dbraw/zinc/69/27/18/456692718.db2.gz MJTLHWKNHLVXMC-YLJYHZDGSA-N 2 1 345.531 3.473 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000353490399 456710143 /nfs/dbraw/zinc/71/01/43/456710143.db2.gz KZFYDCKXVGKSEQ-BJLQDIEVSA-N 2 1 332.536 3.002 20 0 EGADMP CCC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000353490399 456710153 /nfs/dbraw/zinc/71/01/53/456710153.db2.gz KZFYDCKXVGKSEQ-BJLQDIEVSA-N 2 1 332.536 3.002 20 0 EGADMP c1ccc(C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2cccnc2)nc1 ZINC000338218754 456712061 /nfs/dbraw/zinc/71/20/61/456712061.db2.gz WANOFAPOZVXASW-NRFANRHFSA-N 2 1 336.483 3.224 20 0 EGADMP C[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)CCN1C1CC[NH+](C)CC1 ZINC000343723135 456769756 /nfs/dbraw/zinc/76/97/56/456769756.db2.gz MYTPRMHOTCTETO-DYESRHJHSA-N 2 1 327.516 3.164 20 0 EGADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cccc2cccnc21 ZINC000344189530 456804459 /nfs/dbraw/zinc/80/44/59/456804459.db2.gz XAQIJNMCDPNWSZ-UHFFFAOYSA-N 2 1 340.515 3.084 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000344284927 456813215 /nfs/dbraw/zinc/81/32/15/456813215.db2.gz DCFDGECNMMXCQD-OAHLLOKOSA-N 2 1 339.252 3.427 20 0 EGADMP Cc1nccn1CCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000348755375 456843237 /nfs/dbraw/zinc/84/32/37/456843237.db2.gz GWAPYTNSEUIFER-SFHVURJKSA-N 2 1 344.528 3.287 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000348755375 456843241 /nfs/dbraw/zinc/84/32/41/456843241.db2.gz GWAPYTNSEUIFER-SFHVURJKSA-N 3 1 344.528 3.287 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000348755375 456843247 /nfs/dbraw/zinc/84/32/47/456843247.db2.gz GWAPYTNSEUIFER-SFHVURJKSA-N 3 1 344.528 3.287 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(Br)cn2)C[C@@H]1C ZINC000353751840 456889982 /nfs/dbraw/zinc/88/99/82/456889982.db2.gz KNDMXBZOGWMISN-WFASDCNBSA-N 2 1 326.282 3.149 20 0 EGADMP Cc1c[nH+]cn1C1CCN(C(=O)c2cc(C)ccc2-n2ccnc2)CC1 ZINC000329513515 456903305 /nfs/dbraw/zinc/90/33/05/456903305.db2.gz NWAATYDXTORGFT-UHFFFAOYSA-N 2 1 349.438 3.163 20 0 EGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCC(C)(C)C)CC2)C[C@H](C)O1 ZINC000341910060 456995671 /nfs/dbraw/zinc/99/56/71/456995671.db2.gz QOLOSKNFYQZEBT-CALCHBBNSA-N 2 1 326.525 3.013 20 0 EGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCC(C)(C)C)CC2)C[C@H](C)O1 ZINC000341910060 456995674 /nfs/dbraw/zinc/99/56/74/456995674.db2.gz QOLOSKNFYQZEBT-CALCHBBNSA-N 2 1 326.525 3.013 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000354016729 457011080 /nfs/dbraw/zinc/01/10/80/457011080.db2.gz CCLRZCWAWPTIRP-DNVCBOLYSA-N 2 1 345.462 3.030 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000354016729 457011087 /nfs/dbraw/zinc/01/10/87/457011087.db2.gz CCLRZCWAWPTIRP-DNVCBOLYSA-N 2 1 345.462 3.030 20 0 EGADMP CNC(=O)c1cccc(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000356574857 457063788 /nfs/dbraw/zinc/06/37/88/457063788.db2.gz JMMZKFLRVUIGCE-MJGOQNOKSA-N 2 1 343.515 3.133 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(OC(C)C)cc2)C1 ZINC000354108341 457067044 /nfs/dbraw/zinc/06/70/44/457067044.db2.gz VDULHXUKGJWHBY-FQEVSTJZSA-N 2 1 334.504 3.407 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)C[C@@H]21 ZINC000342076562 457094455 /nfs/dbraw/zinc/09/44/55/457094455.db2.gz AIZTZAJBBLVHOH-CWRNSKLLSA-N 2 1 328.378 3.187 20 0 EGADMP CO[C@@H]1CC[N@H+](CCCCc2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000339410695 457098471 /nfs/dbraw/zinc/09/84/71/457098471.db2.gz SFFJCYZDYKKCKZ-DLBZAZTESA-N 2 1 344.421 3.466 20 0 EGADMP CO[C@@H]1CC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000339410695 457098475 /nfs/dbraw/zinc/09/84/75/457098475.db2.gz SFFJCYZDYKKCKZ-DLBZAZTESA-N 2 1 344.421 3.466 20 0 EGADMP Cc1ccncc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354159751 457100556 /nfs/dbraw/zinc/10/05/56/457100556.db2.gz VVOISVKHIYPFCK-HDICACEKSA-N 2 1 339.483 3.289 20 0 EGADMP C[N@H+]1CCC[C@@]2(CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000354177760 457112508 /nfs/dbraw/zinc/11/25/08/457112508.db2.gz QZIJHHQQDWZKJN-LJQANCHMSA-N 2 1 344.890 3.443 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342112322 457113930 /nfs/dbraw/zinc/11/39/30/457113930.db2.gz VPHYIQTUXTVTMA-LAQRGFTBSA-N 2 1 329.488 3.196 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342112322 457113935 /nfs/dbraw/zinc/11/39/35/457113935.db2.gz VPHYIQTUXTVTMA-LAQRGFTBSA-N 2 1 329.488 3.196 20 0 EGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000339440934 457121092 /nfs/dbraw/zinc/12/10/92/457121092.db2.gz KGJMRTMTOMXVAJ-QGZVFWFLSA-N 2 1 326.843 3.276 20 0 EGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000339440934 457121095 /nfs/dbraw/zinc/12/10/95/457121095.db2.gz KGJMRTMTOMXVAJ-QGZVFWFLSA-N 2 1 326.843 3.276 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000339440934 457121098 /nfs/dbraw/zinc/12/10/98/457121098.db2.gz KGJMRTMTOMXVAJ-QGZVFWFLSA-N 2 1 326.843 3.276 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000339440934 457121101 /nfs/dbraw/zinc/12/11/01/457121101.db2.gz KGJMRTMTOMXVAJ-QGZVFWFLSA-N 2 1 326.843 3.276 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342128105 457124742 /nfs/dbraw/zinc/12/47/42/457124742.db2.gz FZMITGQUNOTHMI-RYQLBKOJSA-N 2 1 329.488 3.116 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342128105 457124747 /nfs/dbraw/zinc/12/47/47/457124747.db2.gz FZMITGQUNOTHMI-RYQLBKOJSA-N 2 1 329.488 3.116 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2cc(Cl)c(O)c(OCC)c2)CC1 ZINC000346759561 457154202 /nfs/dbraw/zinc/15/42/02/457154202.db2.gz SBBIPUIVGGVQLY-UHFFFAOYSA-N 2 1 326.868 3.408 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000356773472 457161077 /nfs/dbraw/zinc/16/10/77/457161077.db2.gz LSLLTOMYBKKPRG-QFBILLFUSA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000356773472 457161081 /nfs/dbraw/zinc/16/10/81/457161081.db2.gz LSLLTOMYBKKPRG-QFBILLFUSA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000356773472 457161083 /nfs/dbraw/zinc/16/10/83/457161083.db2.gz LSLLTOMYBKKPRG-QFBILLFUSA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000356773472 457161085 /nfs/dbraw/zinc/16/10/85/457161085.db2.gz LSLLTOMYBKKPRG-QFBILLFUSA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000356773472 457161089 /nfs/dbraw/zinc/16/10/89/457161089.db2.gz LSLLTOMYBKKPRG-QFBILLFUSA-N 2 1 349.494 3.025 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000342219799 457175156 /nfs/dbraw/zinc/17/51/56/457175156.db2.gz NWBUXDZUGWBMDD-HZPDHXFCSA-N 2 1 329.488 3.135 20 0 EGADMP C[C@H](CNc1ccncc1Br)[N@@H+](C)Cc1ccccc1 ZINC000342231007 457181579 /nfs/dbraw/zinc/18/15/79/457181579.db2.gz WVZKDCPCSOGYNZ-CYBMUJFWSA-N 2 1 334.261 3.198 20 0 EGADMP C[C@H](CNc1cc[nH+]cc1Br)[N@H+](C)Cc1ccccc1 ZINC000342231007 457181583 /nfs/dbraw/zinc/18/15/83/457181583.db2.gz WVZKDCPCSOGYNZ-CYBMUJFWSA-N 2 1 334.261 3.198 20 0 EGADMP C[C@H](CNc1cc[nH+]cc1Br)[N@@H+](C)Cc1ccccc1 ZINC000342231007 457181588 /nfs/dbraw/zinc/18/15/88/457181588.db2.gz WVZKDCPCSOGYNZ-CYBMUJFWSA-N 2 1 334.261 3.198 20 0 EGADMP C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347082389 457221289 /nfs/dbraw/zinc/22/12/89/457221289.db2.gz YUCHAWTYVOIMOF-YIONKMFJSA-N 2 1 328.378 3.343 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC000354494483 457256341 /nfs/dbraw/zinc/25/63/41/457256341.db2.gz GEAUZTITBUJGOX-ZULIPRJHSA-N 2 1 346.515 3.464 20 0 EGADMP CC(C)N1CCC[C@@H]([NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1=O ZINC000357008158 457272962 /nfs/dbraw/zinc/27/29/62/457272962.db2.gz DXCNTEDSBPWXGX-UYAOXDASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[C@@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000354668394 457307393 /nfs/dbraw/zinc/30/73/93/457307393.db2.gz VKLQEJULOYRBQW-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)sc2C1 ZINC000357211194 457375823 /nfs/dbraw/zinc/37/58/23/457375823.db2.gz GBUAPSHYOYBJEW-HUUCEWRRSA-N 2 1 344.528 3.456 20 0 EGADMP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)sc2C1 ZINC000357211194 457375830 /nfs/dbraw/zinc/37/58/30/457375830.db2.gz GBUAPSHYOYBJEW-HUUCEWRRSA-N 2 1 344.528 3.456 20 0 EGADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1ccc2ccccc2c1 ZINC000352507901 457426448 /nfs/dbraw/zinc/42/64/48/457426448.db2.gz DVYDNJUWYKPVNU-OXJNMPFZSA-N 2 1 339.483 3.220 20 0 EGADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccc2ccccc2c1 ZINC000352507901 457426457 /nfs/dbraw/zinc/42/64/57/457426457.db2.gz DVYDNJUWYKPVNU-OXJNMPFZSA-N 2 1 339.483 3.220 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1)C(C)C ZINC000357313401 457439677 /nfs/dbraw/zinc/43/96/77/457439677.db2.gz XEMRKEXZQMYGKI-GPMSIDNRSA-N 2 1 331.504 3.033 20 0 EGADMP c1ccc(OCc2cccnc2)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352545682 457455834 /nfs/dbraw/zinc/45/58/34/457455834.db2.gz KYXVHFHCNVSOEN-NRFANRHFSA-N 2 1 337.467 3.236 20 0 EGADMP c1ccc(OCc2cccnc2)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352545682 457455839 /nfs/dbraw/zinc/45/58/39/457455839.db2.gz KYXVHFHCNVSOEN-NRFANRHFSA-N 2 1 337.467 3.236 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000397889660 457492287 /nfs/dbraw/zinc/49/22/87/457492287.db2.gz PCHBZBRGDVXFPY-MJGOQNOKSA-N 2 1 347.503 3.013 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400975793 457523100 /nfs/dbraw/zinc/52/31/00/457523100.db2.gz RPXWUJNGMXSXOY-BURNTYAHSA-N 3 1 341.543 3.265 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400975793 457523106 /nfs/dbraw/zinc/52/31/06/457523106.db2.gz RPXWUJNGMXSXOY-BURNTYAHSA-N 3 1 341.543 3.265 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)c2ccccc2C1 ZINC000361049060 457541944 /nfs/dbraw/zinc/54/19/44/457541944.db2.gz BEFXRICFOXZHSI-DYESRHJHSA-N 2 1 343.515 3.334 20 0 EGADMP COCCC1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCCCC1 ZINC000352742041 457574150 /nfs/dbraw/zinc/57/41/50/457574150.db2.gz LDXVMSJUZAGCPV-UHFFFAOYSA-N 2 1 325.522 3.281 20 0 EGADMP CCO[C@H]1C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1(CC)CC ZINC000352749270 457580863 /nfs/dbraw/zinc/58/08/63/457580863.db2.gz LUTDNLOQVVJIGF-CABCVRRESA-N 2 1 325.522 3.278 20 0 EGADMP c1cn([C@@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)nn1 ZINC000425516020 457583385 /nfs/dbraw/zinc/58/33/85/457583385.db2.gz RTLXIPJQPCIFHI-HXUWFJFHSA-N 2 1 339.487 3.101 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC(C)(C)C[C@@H]2c2ccccc2)CC1 ZINC000425543476 457591016 /nfs/dbraw/zinc/59/10/16/457591016.db2.gz PQEWSLQMXBOSQT-LJQANCHMSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2ccccc2c1 ZINC000361165907 457624787 /nfs/dbraw/zinc/62/47/87/457624787.db2.gz ZIRASDYHYFXMKE-OXJNMPFZSA-N 2 1 339.483 3.078 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000374528131 457649802 /nfs/dbraw/zinc/64/98/02/457649802.db2.gz SVPZYJRETMMHLZ-QKYXUNIQSA-N 2 1 341.455 3.169 20 0 EGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nc4ccccc4o3)CC2)C[C@@H](C)O1 ZINC000361257620 457669552 /nfs/dbraw/zinc/66/95/52/457669552.db2.gz JXYKIIIZRCKHLI-HZPDHXFCSA-N 2 1 343.471 3.149 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000357742611 457674919 /nfs/dbraw/zinc/67/49/19/457674919.db2.gz LMPHVTUOFZGMRB-MJGOQNOKSA-N 2 1 348.535 3.017 20 0 EGADMP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000370631063 457686203 /nfs/dbraw/zinc/68/62/03/457686203.db2.gz ZVFSZLMQQVRINL-RTWAWAEBSA-N 2 1 329.532 3.248 20 0 EGADMP Cc1csc(N2CCC([NH2+][C@H](C)C[NH+]3CCCCCC3)CC2)n1 ZINC000361456224 457737689 /nfs/dbraw/zinc/73/76/89/457737689.db2.gz JAOHYMRIUBCFAW-OAHLLOKOSA-N 2 1 336.549 3.274 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(C)(C)n1cncn1 ZINC000375081313 457783976 /nfs/dbraw/zinc/78/39/76/457783976.db2.gz PYHZZPSSCMAGGP-IRXDYDNUSA-N 2 1 341.503 3.217 20 0 EGADMP C[C@@H](NC(=O)C1C[NH+](C2CCCCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000457693905 457795620 /nfs/dbraw/zinc/79/56/20/457795620.db2.gz IFKVYEKSTWCWRA-SJORKVTESA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccnc(C[NH3+])c3)cc2)C1 ZINC000361610002 457804019 /nfs/dbraw/zinc/80/40/19/457804019.db2.gz KZJRGQGBFSVOOX-OAHLLOKOSA-N 2 1 338.455 3.025 20 0 EGADMP c1ncn([C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000411250589 457840975 /nfs/dbraw/zinc/84/09/75/457840975.db2.gz ZTQMGHZUAJCPND-HXUWFJFHSA-N 2 1 339.487 3.101 20 0 EGADMP C[NH+](C)[C@H](C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2)c1ccccc1 ZINC000375239260 457844610 /nfs/dbraw/zinc/84/46/10/457844610.db2.gz TYEDLOUCKAEVIE-FQEVSTJZSA-N 2 1 335.451 3.406 20 0 EGADMP C[NH+](C)[C@H](C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2)c1ccccc1 ZINC000375239260 457844617 /nfs/dbraw/zinc/84/46/17/457844617.db2.gz TYEDLOUCKAEVIE-FQEVSTJZSA-N 2 1 335.451 3.406 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnc3ccc(C)cc3c2)C1 ZINC000411308557 457856735 /nfs/dbraw/zinc/85/67/35/457856735.db2.gz OVGDEEJUNAXFFZ-FQEVSTJZSA-N 2 1 341.499 3.476 20 0 EGADMP OCC[N@H+](Cc1cccnc1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411348763 457863559 /nfs/dbraw/zinc/86/35/59/457863559.db2.gz PXDRHWIOVMXBQU-UHFFFAOYSA-N 2 1 339.483 3.062 20 0 EGADMP OCC[N@@H+](Cc1cccnc1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411348763 457863562 /nfs/dbraw/zinc/86/35/62/457863562.db2.gz PXDRHWIOVMXBQU-UHFFFAOYSA-N 2 1 339.483 3.062 20 0 EGADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371332832 457871952 /nfs/dbraw/zinc/87/19/52/457871952.db2.gz BETSYPWQWLTFQE-GOSISDBHSA-N 2 1 341.499 3.342 20 0 EGADMP CC(C)C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358250015 457887855 /nfs/dbraw/zinc/88/78/55/457887855.db2.gz JBEUOAMHHPVBKK-DLBZAZTESA-N 2 1 344.421 3.449 20 0 EGADMP CC(C)C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358250015 457887863 /nfs/dbraw/zinc/88/78/63/457887863.db2.gz JBEUOAMHHPVBKK-DLBZAZTESA-N 2 1 344.421 3.449 20 0 EGADMP COCC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCO[C@@H]1C ZINC000411658850 457941597 /nfs/dbraw/zinc/94/15/97/457941597.db2.gz XKTYYIUDJDIWGZ-WIYYLYMNSA-N 2 1 346.515 3.298 20 0 EGADMP Cc1oc2ccccc2c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371469575 457948113 /nfs/dbraw/zinc/94/81/13/457948113.db2.gz FTLQXNJZHPJICI-XFQXTVEOSA-N 2 1 328.456 3.425 20 0 EGADMP c1cc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)ccc1C[NH+]1CCCCC1 ZINC000411717943 457961235 /nfs/dbraw/zinc/96/12/35/457961235.db2.gz JRURIVNKUWPPTO-SFTDATJTSA-N 2 1 344.499 3.052 20 0 EGADMP c1cc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)ccc1C[NH+]1CCCCC1 ZINC000411717943 457961243 /nfs/dbraw/zinc/96/12/43/457961243.db2.gz JRURIVNKUWPPTO-SFTDATJTSA-N 2 1 344.499 3.052 20 0 EGADMP Cc1cc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)ccc1OCC[NH+](C)C ZINC000458194272 457965104 /nfs/dbraw/zinc/96/51/04/457965104.db2.gz JYRLUPYXMQCORL-BBWFWOEESA-N 2 1 347.503 3.135 20 0 EGADMP Cc1cc(NC(=O)C[N@H+](C)Cc2ccccc2)ccc1C[NH+](C)C ZINC000458265125 457992142 /nfs/dbraw/zinc/99/21/42/457992142.db2.gz CDSLPESKQGZNFS-UHFFFAOYSA-N 2 1 325.456 3.127 20 0 EGADMP Cc1cc(NC(=O)C[N@@H+](C)Cc2ccccc2)ccc1C[NH+](C)C ZINC000458265125 457992151 /nfs/dbraw/zinc/99/21/51/457992151.db2.gz CDSLPESKQGZNFS-UHFFFAOYSA-N 2 1 325.456 3.127 20 0 EGADMP Clc1ccc(OCC[N@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000358513112 458050068 /nfs/dbraw/zinc/05/00/68/458050068.db2.gz VXGMNJCFURUOBB-UHFFFAOYSA-N 2 1 329.271 3.448 20 0 EGADMP Clc1ccc(Cl)c(OCC[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358515625 458051153 /nfs/dbraw/zinc/05/11/53/458051153.db2.gz MRRNPZRPCUDYEH-UHFFFAOYSA-N 2 1 329.271 3.448 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000375812908 458078646 /nfs/dbraw/zinc/07/86/46/458078646.db2.gz YNJSXHWZXZOXMO-IOJLRTSASA-N 2 1 338.499 3.300 20 0 EGADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCc3cn[nH]c3C2)CC1 ZINC000375812908 458078649 /nfs/dbraw/zinc/07/86/49/458078649.db2.gz YNJSXHWZXZOXMO-IOJLRTSASA-N 2 1 338.499 3.300 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCc3cn[nH]c3C2)CC1 ZINC000375812908 458078652 /nfs/dbraw/zinc/07/86/52/458078652.db2.gz YNJSXHWZXZOXMO-IOJLRTSASA-N 2 1 338.499 3.300 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000435369404 458119884 /nfs/dbraw/zinc/11/98/84/458119884.db2.gz FDWUIUZXSGARBZ-ORAYPTAESA-N 2 1 346.906 3.371 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000435369404 458119890 /nfs/dbraw/zinc/11/98/90/458119890.db2.gz FDWUIUZXSGARBZ-ORAYPTAESA-N 2 1 346.906 3.371 20 0 EGADMP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000369199327 458120885 /nfs/dbraw/zinc/12/08/85/458120885.db2.gz VEYZXRLYYNGSLU-VQTJNVASSA-N 2 1 344.547 3.033 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000435372423 458121663 /nfs/dbraw/zinc/12/16/63/458121663.db2.gz APVOTJXZOQUZPQ-SWLSCSKDSA-N 2 1 332.879 3.312 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@@H]1[NH3+] ZINC000435374724 458124984 /nfs/dbraw/zinc/12/49/84/458124984.db2.gz JZBSDVZISKWOID-APWZRJJASA-N 2 1 340.515 3.398 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@@H]1[NH3+] ZINC000435374724 458124988 /nfs/dbraw/zinc/12/49/88/458124988.db2.gz JZBSDVZISKWOID-APWZRJJASA-N 2 1 340.515 3.398 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@@H]1[NH3+] ZINC000435373320 458125395 /nfs/dbraw/zinc/12/53/95/458125395.db2.gz DMUAYJXRDIKOMP-QAPCUYQASA-N 2 1 326.488 3.339 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@@H]1[NH3+] ZINC000435373320 458125402 /nfs/dbraw/zinc/12/54/02/458125402.db2.gz DMUAYJXRDIKOMP-QAPCUYQASA-N 2 1 326.488 3.339 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000435377428 458127107 /nfs/dbraw/zinc/12/71/07/458127107.db2.gz BHZMARRGRZTYPX-OAHLLOKOSA-N 2 1 326.440 3.151 20 0 EGADMP Cc1ccc(-n2cc(C[NH+]3CCC([NH3+])CC3)c(C(C)(C)C)n2)cc1 ZINC000435376566 458127193 /nfs/dbraw/zinc/12/71/93/458127193.db2.gz RRCFLPPPHRBEGA-UHFFFAOYSA-N 2 1 326.488 3.401 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000435375849 458127220 /nfs/dbraw/zinc/12/72/20/458127220.db2.gz XCWXXLHEHQJGME-QFBILLFUSA-N 2 1 340.467 3.443 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000435375849 458127225 /nfs/dbraw/zinc/12/72/25/458127225.db2.gz XCWXXLHEHQJGME-QFBILLFUSA-N 2 1 340.467 3.443 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000435378777 458127670 /nfs/dbraw/zinc/12/76/70/458127670.db2.gz GJTZNQHSBZMBSA-CJNGLKHVSA-N 2 1 346.906 3.371 20 0 EGADMP CC[N@@H+](Cc1ccc(Oc2cnccn2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435381603 458129577 /nfs/dbraw/zinc/12/95/77/458129577.db2.gz UXEYCXMGMNJIRG-QGZVFWFLSA-N 2 1 326.444 3.233 20 0 EGADMP CCOc1c(OC)cc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435381666 458130813 /nfs/dbraw/zinc/13/08/13/458130813.db2.gz VGCWAXIELQJYCV-MRXNPFEDSA-N 2 1 336.476 3.067 20 0 EGADMP C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[C@H]1[NH3+] ZINC000435381446 458130968 /nfs/dbraw/zinc/13/09/68/458130968.db2.gz TYUZEPNUCAREIP-OXJNMPFZSA-N 2 1 347.466 3.103 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[C@H]1[NH3+] ZINC000435381446 458130977 /nfs/dbraw/zinc/13/09/77/458130977.db2.gz TYUZEPNUCAREIP-OXJNMPFZSA-N 2 1 347.466 3.103 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)ccc1OCC(F)(F)F ZINC000435388753 458134457 /nfs/dbraw/zinc/13/44/57/458134457.db2.gz HEAGPXCSZMLCJQ-CQSZACIVSA-N 2 1 346.393 3.068 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@H](C[NH2+]C)C2)ccc1OCC(F)(F)F ZINC000435388753 458134461 /nfs/dbraw/zinc/13/44/61/458134461.db2.gz HEAGPXCSZMLCJQ-CQSZACIVSA-N 2 1 346.393 3.068 20 0 EGADMP Fc1cncc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435427940 458145208 /nfs/dbraw/zinc/14/52/08/458145208.db2.gz PNPGXGILVJVOGJ-KRWDZBQOSA-N 2 1 331.460 3.427 20 0 EGADMP Fc1cncc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435427940 458145212 /nfs/dbraw/zinc/14/52/12/458145212.db2.gz PNPGXGILVJVOGJ-KRWDZBQOSA-N 2 1 331.460 3.427 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(C(N)=O)c2)CC1)CC(C)C ZINC000358737384 458182441 /nfs/dbraw/zinc/18/24/41/458182441.db2.gz PIDRPIURVUZKEK-UHFFFAOYSA-N 2 1 345.531 3.366 20 0 EGADMP Cc1noc(C)c1C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435698790 458186759 /nfs/dbraw/zinc/18/67/59/458186759.db2.gz XWGSODDJEZEPHP-KRWDZBQOSA-N 2 1 331.485 3.497 20 0 EGADMP Cc1noc(C)c1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435698790 458186764 /nfs/dbraw/zinc/18/67/64/458186764.db2.gz XWGSODDJEZEPHP-KRWDZBQOSA-N 2 1 331.485 3.497 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000362472378 458201843 /nfs/dbraw/zinc/20/18/43/458201843.db2.gz JTJXZLXJDSYVMY-JTDSTZFVSA-N 2 1 329.488 3.197 20 0 EGADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000362472378 458201849 /nfs/dbraw/zinc/20/18/49/458201849.db2.gz JTJXZLXJDSYVMY-JTDSTZFVSA-N 2 1 329.488 3.197 20 0 EGADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000362472378 458201852 /nfs/dbraw/zinc/20/18/52/458201852.db2.gz JTJXZLXJDSYVMY-JTDSTZFVSA-N 2 1 329.488 3.197 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc2ccccc2s1 ZINC000446816275 458230700 /nfs/dbraw/zinc/23/07/00/458230700.db2.gz BCJJCOGKYKTLLR-HOCLYGCPSA-N 2 1 345.512 3.139 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000369561681 458266917 /nfs/dbraw/zinc/26/69/17/458266917.db2.gz PFJXAZABLKTSFB-CEXWTWQISA-N 2 1 332.536 3.404 20 0 EGADMP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cn1 ZINC000436288511 458284610 /nfs/dbraw/zinc/28/46/10/458284610.db2.gz VQXSPLXQRPXQTJ-UHFFFAOYSA-N 2 1 326.375 3.013 20 0 EGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000447531489 458306363 /nfs/dbraw/zinc/30/63/63/458306363.db2.gz RQXRLNFKXCUPGH-YRPNKDGESA-N 2 1 346.515 3.099 20 0 EGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000447531489 458306365 /nfs/dbraw/zinc/30/63/65/458306365.db2.gz RQXRLNFKXCUPGH-YRPNKDGESA-N 2 1 346.515 3.099 20 0 EGADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c2ccccc21 ZINC000447564497 458313068 /nfs/dbraw/zinc/31/30/68/458313068.db2.gz XGIHLAYSNBKYHE-FFZOFVMBSA-N 2 1 343.515 3.048 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](C2CC(OC(C)C)C2)CC1 ZINC000459371913 458348404 /nfs/dbraw/zinc/34/84/04/458348404.db2.gz KNIVZABSPYOJCW-UHFFFAOYSA-N 2 1 326.525 3.013 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000459383086 458352410 /nfs/dbraw/zinc/35/24/10/458352410.db2.gz FBVDYHRULUBBQR-LSDHHAIUSA-N 2 1 330.501 3.298 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000459383086 458352418 /nfs/dbraw/zinc/35/24/18/458352418.db2.gz FBVDYHRULUBBQR-LSDHHAIUSA-N 2 1 330.501 3.298 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000459383086 458352422 /nfs/dbraw/zinc/35/24/22/458352422.db2.gz FBVDYHRULUBBQR-LSDHHAIUSA-N 2 1 330.501 3.298 20 0 EGADMP C[C@H]1C[C@@H](NCc2cnc(C3CC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000459418564 458364356 /nfs/dbraw/zinc/36/43/56/458364356.db2.gz DBKIWIVURBCFCI-JXFKEZNVSA-N 2 1 336.483 3.497 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2cnc(C3CC3)nc2)CCN1Cc1ccccc1 ZINC000459418564 458364362 /nfs/dbraw/zinc/36/43/62/458364362.db2.gz DBKIWIVURBCFCI-JXFKEZNVSA-N 2 1 336.483 3.497 20 0 EGADMP CC(C)(C)C1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000459420432 458364826 /nfs/dbraw/zinc/36/48/26/458364826.db2.gz BQBGTJXWIVZODZ-FVELJTHGSA-N 2 1 330.516 3.284 20 0 EGADMP CC(C)(C)C1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000459420432 458364829 /nfs/dbraw/zinc/36/48/29/458364829.db2.gz BQBGTJXWIVZODZ-FVELJTHGSA-N 2 1 330.516 3.284 20 0 EGADMP COCc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)no1 ZINC000459431955 458368855 /nfs/dbraw/zinc/36/88/55/458368855.db2.gz GDOYSJLHUUNSGU-SJLPKXTDSA-N 2 1 343.471 3.211 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000376825020 458397871 /nfs/dbraw/zinc/39/78/71/458397871.db2.gz ZXJJOHJDKHJMLQ-GFOJFJKKSA-N 2 1 330.516 3.285 20 0 EGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C2)C1 ZINC000430148008 458410558 /nfs/dbraw/zinc/41/05/58/458410558.db2.gz KGBRIFRGHFOVOM-SFHVURJKSA-N 2 1 330.863 3.258 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C2)C1 ZINC000430148008 458410561 /nfs/dbraw/zinc/41/05/61/458410561.db2.gz KGBRIFRGHFOVOM-SFHVURJKSA-N 2 1 330.863 3.258 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C2)C1 ZINC000430148008 458410563 /nfs/dbraw/zinc/41/05/63/458410563.db2.gz KGBRIFRGHFOVOM-SFHVURJKSA-N 2 1 330.863 3.258 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C2)C1 ZINC000430148008 458410567 /nfs/dbraw/zinc/41/05/67/458410567.db2.gz KGBRIFRGHFOVOM-SFHVURJKSA-N 2 1 330.863 3.258 20 0 EGADMP Cn1ccc([C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccc(Cl)cc2)n1 ZINC000423440794 458434062 /nfs/dbraw/zinc/43/40/62/458434062.db2.gz OUYWPMDELOCAMM-QXAKKESOSA-N 2 1 344.890 3.141 20 0 EGADMP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423517114 458449054 /nfs/dbraw/zinc/44/90/54/458449054.db2.gz NYUDUPIILGREOL-VQIMIIECSA-N 2 1 340.467 3.391 20 0 EGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423532046 458453727 /nfs/dbraw/zinc/45/37/27/458453727.db2.gz QUKMWHPGZAKWTI-SCLBCKFNSA-N 2 1 330.476 3.139 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000459722547 458457256 /nfs/dbraw/zinc/45/72/56/458457256.db2.gz BSKKWLQJRVPETL-KRWDZBQOSA-N 2 1 326.444 3.090 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000459729235 458458983 /nfs/dbraw/zinc/45/89/83/458458983.db2.gz ITBBXPQHEGKRSR-IBGZPJMESA-N 2 1 347.522 3.154 20 0 EGADMP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000459729235 458458986 /nfs/dbraw/zinc/45/89/86/458458986.db2.gz ITBBXPQHEGKRSR-IBGZPJMESA-N 3 1 347.522 3.154 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000459729235 458458989 /nfs/dbraw/zinc/45/89/89/458458989.db2.gz ITBBXPQHEGKRSR-IBGZPJMESA-N 3 1 347.522 3.154 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000430548680 458459786 /nfs/dbraw/zinc/45/97/86/458459786.db2.gz HDSFKXIMEZZDMQ-NVXWUHKLSA-N 2 1 349.494 3.012 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000430548680 458459789 /nfs/dbraw/zinc/45/97/89/458459789.db2.gz HDSFKXIMEZZDMQ-NVXWUHKLSA-N 2 1 349.494 3.012 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000430570407 458463626 /nfs/dbraw/zinc/46/36/26/458463626.db2.gz GSRUYWTVIXOBFU-LPHOPBHVSA-N 2 1 337.467 3.498 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000430602232 458469129 /nfs/dbraw/zinc/46/91/29/458469129.db2.gz VVMHHMIVCIELQD-ZMSDIMECSA-N 2 1 345.487 3.304 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000430602232 458469132 /nfs/dbraw/zinc/46/91/32/458469132.db2.gz VVMHHMIVCIELQD-ZMSDIMECSA-N 2 1 345.487 3.304 20 0 EGADMP [NH3+]CC1CC[NH+](CC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000430628504 458473452 /nfs/dbraw/zinc/47/34/52/458473452.db2.gz NHUXSBVSRRVXNX-UHFFFAOYSA-N 2 1 339.439 3.088 20 0 EGADMP C[N@@H+](Cc1ccc(C(F)F)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373423885 458489167 /nfs/dbraw/zinc/48/91/67/458489167.db2.gz WZVVCONOTBYMCB-GOSISDBHSA-N 2 1 337.458 3.225 20 0 EGADMP CO[C@]1(C)CCC[NH+](C/C=C/C[N@@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000377206857 458489750 /nfs/dbraw/zinc/48/97/50/458489750.db2.gz AHAKANWSVSDGQI-BGEOSOQGSA-N 2 1 338.536 3.325 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000430949207 458508846 /nfs/dbraw/zinc/50/88/46/458508846.db2.gz MZHCQZIUQHYUSI-APWZRJJASA-N 2 1 337.467 3.351 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423909191 458511305 /nfs/dbraw/zinc/51/13/05/458511305.db2.gz UAURGCMCAIJFRZ-HKUYNNGSSA-N 2 1 345.531 3.168 20 0 EGADMP CC[N@H+](CCC1CC[NH+](Cc2c(Cl)cnn2C)CC1)CC1CC1 ZINC000438085611 458528569 /nfs/dbraw/zinc/52/85/69/458528569.db2.gz OUNGDGHNEREANW-UHFFFAOYSA-N 2 1 338.927 3.408 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2c(Cl)cnn2C)CC1)CC1CC1 ZINC000438085611 458528575 /nfs/dbraw/zinc/52/85/75/458528575.db2.gz OUNGDGHNEREANW-UHFFFAOYSA-N 2 1 338.927 3.408 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000461211278 458552098 /nfs/dbraw/zinc/55/20/98/458552098.db2.gz GTWOSPBAKOEZMM-LMMKCTJWSA-N 2 1 348.535 3.097 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424129082 458565834 /nfs/dbraw/zinc/56/58/34/458565834.db2.gz GABBCAVLLXSJLL-MAUKXSAKSA-N 2 1 334.508 3.022 20 0 EGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCC(F)(F)F)CC2)CC1 ZINC000377990910 458591638 /nfs/dbraw/zinc/59/16/38/458591638.db2.gz BCTSNMTXZKCOEL-UHFFFAOYSA-N 2 1 335.458 3.067 20 0 EGADMP CO[C@]1(C)C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1(C)C ZINC000462103401 458594977 /nfs/dbraw/zinc/59/49/77/458594977.db2.gz FGHWRSBBKOYXPF-PZJWPPBQSA-N 2 1 330.516 3.487 20 0 EGADMP OC1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCCC1 ZINC000438598763 458605580 /nfs/dbraw/zinc/60/55/80/458605580.db2.gz AXANKCFUYVXBMA-WOJBJXKFSA-N 2 1 328.500 3.278 20 0 EGADMP OC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC1 ZINC000438598763 458605583 /nfs/dbraw/zinc/60/55/83/458605583.db2.gz AXANKCFUYVXBMA-WOJBJXKFSA-N 2 1 328.500 3.278 20 0 EGADMP OC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCCC1 ZINC000438598763 458605586 /nfs/dbraw/zinc/60/55/86/458605586.db2.gz AXANKCFUYVXBMA-WOJBJXKFSA-N 2 1 328.500 3.278 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1cc(Br)cs1)CC[NH2+]CC2 ZINC000424298369 458608091 /nfs/dbraw/zinc/60/80/91/458608091.db2.gz UMZWIMAJVZKKSE-NSHDSACASA-N 2 1 329.307 3.475 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000431746010 458616991 /nfs/dbraw/zinc/61/69/91/458616991.db2.gz STMGCBAHXHIUFU-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000431746010 458616997 /nfs/dbraw/zinc/61/69/97/458616997.db2.gz STMGCBAHXHIUFU-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000431746010 458617001 /nfs/dbraw/zinc/61/70/01/458617001.db2.gz STMGCBAHXHIUFU-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000470215562 458624509 /nfs/dbraw/zinc/62/45/09/458624509.db2.gz LGZFLHDVRUQECT-GOSISDBHSA-N 2 1 340.895 3.152 20 0 EGADMP Cc1ccc(C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c2ccc(C)cc2)cc1 ZINC000546572901 458637220 /nfs/dbraw/zinc/63/72/20/458637220.db2.gz PVDIHTSFCYKPMJ-VXKWHMMOSA-N 2 1 338.495 3.243 20 0 EGADMP Cc1ccc(C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)c2ccc(C)cc2)cc1 ZINC000546572901 458637222 /nfs/dbraw/zinc/63/72/22/458637222.db2.gz PVDIHTSFCYKPMJ-VXKWHMMOSA-N 2 1 338.495 3.243 20 0 EGADMP CC(C)c1cc(N2CCCC[C@H]([NH+]3CCCC3)C2)nc(N(C)C)[nH+]1 ZINC000462833285 458658481 /nfs/dbraw/zinc/65/84/81/458658481.db2.gz KNBHPELCOAMJDZ-INIZCTEOSA-N 2 1 331.508 3.121 20 0 EGADMP COc1ccc2cc(C[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)ccc2c1 ZINC000432361333 458723066 /nfs/dbraw/zinc/72/30/66/458723066.db2.gz DEQCSAOFVRFREQ-KRWDZBQOSA-N 2 1 342.483 3.439 20 0 EGADMP CCCCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1(C)C ZINC000432415978 458735519 /nfs/dbraw/zinc/73/55/19/458735519.db2.gz XSANZAMOKZKZTB-FGTMMUONSA-N 2 1 326.525 3.061 20 0 EGADMP CCCCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1(C)C ZINC000432415978 458735523 /nfs/dbraw/zinc/73/55/23/458735523.db2.gz XSANZAMOKZKZTB-FGTMMUONSA-N 2 1 326.525 3.061 20 0 EGADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000494821327 458751659 /nfs/dbraw/zinc/75/16/59/458751659.db2.gz FRAGJWUSPOYLAV-HXUWFJFHSA-N 2 1 341.499 3.280 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000530359310 458754714 /nfs/dbraw/zinc/75/47/14/458754714.db2.gz QIWJXSMGGQHULS-UHFFFAOYSA-N 2 1 325.456 3.304 20 0 EGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)CCCNC(=O)C3CCC3)CC2)C1 ZINC000432799703 458789437 /nfs/dbraw/zinc/78/94/37/458789437.db2.gz ZBVIKFSUNHWJPU-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000495084337 458797031 /nfs/dbraw/zinc/79/70/31/458797031.db2.gz MBWPMYKXPICVPT-QZTJIDSGSA-N 2 1 345.531 3.407 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495301792 458828872 /nfs/dbraw/zinc/82/88/72/458828872.db2.gz ISCFESUSCHEESY-BBWFWOEESA-N 2 1 339.524 3.096 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1)C1CC1 ZINC000531119966 458875222 /nfs/dbraw/zinc/87/52/22/458875222.db2.gz QLJCOXCGZWFNIA-HXUWFJFHSA-N 2 1 343.515 3.227 20 0 EGADMP Cc1ccc(C)c(OCCC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000441256631 458907083 /nfs/dbraw/zinc/90/70/83/458907083.db2.gz AEWAWGNPFFOVIB-SFHLNBCPSA-N 2 1 346.515 3.256 20 0 EGADMP CC(C)COc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000441269714 458907727 /nfs/dbraw/zinc/90/77/27/458907727.db2.gz SBEGCFSBNQFVGL-IRFCIJBXSA-N 2 1 346.515 3.405 20 0 EGADMP CC(C)COc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000441269714 458907732 /nfs/dbraw/zinc/90/77/32/458907732.db2.gz SBEGCFSBNQFVGL-IRFCIJBXSA-N 2 1 346.515 3.405 20 0 EGADMP C[C@H](C(=O)Nc1cccc(Cl)c1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000441332344 458921048 /nfs/dbraw/zinc/92/10/48/458921048.db2.gz QYCOFXVHQMVKPL-RHSMWYFYSA-N 2 1 337.895 3.473 20 0 EGADMP CCc1oc2ccccc2c1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441342799 458923592 /nfs/dbraw/zinc/92/35/92/458923592.db2.gz UMYPFCMAVHWMJN-UHFFFAOYSA-N 2 1 329.488 3.111 20 0 EGADMP COc1ccc([C@H]2CCC[N@H+]2CCCc2cncn2C)c(OC)c1 ZINC000576954435 458955046 /nfs/dbraw/zinc/95/50/46/458955046.db2.gz QJJXMLYNIGGMRD-GOSISDBHSA-N 2 1 329.444 3.207 20 0 EGADMP COc1ccc([C@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)c(OC)c1 ZINC000576954435 458955051 /nfs/dbraw/zinc/95/50/51/458955051.db2.gz QJJXMLYNIGGMRD-GOSISDBHSA-N 2 1 329.444 3.207 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000531703561 458964598 /nfs/dbraw/zinc/96/45/98/458964598.db2.gz NOMMMKWBLKHAQQ-IBGZPJMESA-N 2 1 335.923 3.191 20 0 EGADMP Cn1cncc1CCC[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000519831935 459014177 /nfs/dbraw/zinc/01/41/77/459014177.db2.gz KGMNLXWJLQPAHN-FQEVSTJZSA-N 2 1 327.472 3.076 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000519831935 459014183 /nfs/dbraw/zinc/01/41/83/459014183.db2.gz KGMNLXWJLQPAHN-FQEVSTJZSA-N 2 1 327.472 3.076 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000556909703 459030750 /nfs/dbraw/zinc/03/07/50/459030750.db2.gz IVCIEFJMHMLZAI-IGCXYCKISA-N 2 1 326.431 3.441 20 0 EGADMP Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000567122165 459051789 /nfs/dbraw/zinc/05/17/89/459051789.db2.gz WWQVWRMXGIELGU-QGZVFWFLSA-N 2 1 335.923 3.249 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000442916740 459059814 /nfs/dbraw/zinc/05/98/14/459059814.db2.gz AGLDHNMALGEISD-KRWDZBQOSA-N 2 1 325.456 3.221 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442916767 459059826 /nfs/dbraw/zinc/05/98/26/459059826.db2.gz AJLHUQQXUMBGNH-LJQANCHMSA-N 2 1 326.488 3.109 20 0 EGADMP Fc1ccc(COc2cccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000577633709 459065878 /nfs/dbraw/zinc/06/58/78/459065878.db2.gz VBWWZYNTRIHYMX-MOPGFXCFSA-N 2 1 340.442 3.446 20 0 EGADMP Fc1ccc(COc2cccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000577633709 459065885 /nfs/dbraw/zinc/06/58/85/459065885.db2.gz VBWWZYNTRIHYMX-MOPGFXCFSA-N 2 1 340.442 3.446 20 0 EGADMP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060891 459081375 /nfs/dbraw/zinc/08/13/75/459081375.db2.gz QAVGXAASXAGAMJ-NEPJUHHUSA-N 2 1 344.286 3.381 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000443077931 459085846 /nfs/dbraw/zinc/08/58/46/459085846.db2.gz VJEYYPPSIOACHD-CYBMUJFWSA-N 2 1 343.393 3.095 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc2c(c1)CCC(=O)N2 ZINC000532442421 459088863 /nfs/dbraw/zinc/08/88/63/459088863.db2.gz JCWPTAXBSURXTG-JKSUJKDBSA-N 2 1 329.488 3.486 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(OC(F)F)c1 ZINC000557882062 459116900 /nfs/dbraw/zinc/11/69/00/459116900.db2.gz WJJVVBUEHVQUTA-ZDUSSCGKSA-N 2 1 328.403 3.117 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(OC(F)F)c1 ZINC000557882062 459116904 /nfs/dbraw/zinc/11/69/04/459116904.db2.gz WJJVVBUEHVQUTA-ZDUSSCGKSA-N 2 1 328.403 3.117 20 0 EGADMP C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000496290733 459138201 /nfs/dbraw/zinc/13/82/01/459138201.db2.gz DQINMFVHZWMHDS-JKSUJKDBSA-N 2 1 339.524 3.144 20 0 EGADMP COc1ccc(COCC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000594725096 459141813 /nfs/dbraw/zinc/14/18/13/459141813.db2.gz AOXQAHPQHJQDMM-UHFFFAOYSA-N 2 1 334.504 3.264 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C[C@@H](c2ccccc2)C1 ZINC000521643256 459170075 /nfs/dbraw/zinc/17/00/75/459170075.db2.gz AVPWJHGWSHJSLE-YSIASYRMSA-N 2 1 330.516 3.395 20 0 EGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC[N@@H+]1C ZINC000496530945 459229316 /nfs/dbraw/zinc/22/93/16/459229316.db2.gz UQIDAJXXEHOSPT-QZWWFDLISA-N 2 1 339.524 3.094 20 0 EGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC[N@H+]1C ZINC000496530945 459229320 /nfs/dbraw/zinc/22/93/20/459229320.db2.gz UQIDAJXXEHOSPT-QZWWFDLISA-N 2 1 339.524 3.094 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC[N@@H+]1C ZINC000496530944 459229666 /nfs/dbraw/zinc/22/96/66/459229666.db2.gz UQIDAJXXEHOSPT-NCOADZHNSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC[N@H+]1C ZINC000496530944 459229669 /nfs/dbraw/zinc/22/96/69/459229669.db2.gz UQIDAJXXEHOSPT-NCOADZHNSA-N 2 1 339.524 3.094 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1C ZINC000595081305 459239397 /nfs/dbraw/zinc/23/93/97/459239397.db2.gz RKDDITMMHNLCCD-IMBTUZDBSA-N 2 1 336.520 3.351 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1C ZINC000595081305 459239399 /nfs/dbraw/zinc/23/93/99/459239399.db2.gz RKDDITMMHNLCCD-IMBTUZDBSA-N 2 1 336.520 3.351 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000481421000 459253605 /nfs/dbraw/zinc/25/36/05/459253605.db2.gz ZPCKBFDEMPFGFK-XHDPSFHLSA-N 2 1 329.257 3.061 20 0 EGADMP Cc1cc2[nH]c(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)cc2c(C)c1 ZINC000481985186 459284329 /nfs/dbraw/zinc/28/43/29/459284329.db2.gz XBMQEZSKZUEWPD-IOMROCGXSA-N 2 1 341.499 3.468 20 0 EGADMP Cc1cc2[nH]c(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)cc2c(C)c1 ZINC000481985186 459284335 /nfs/dbraw/zinc/28/43/35/459284335.db2.gz XBMQEZSKZUEWPD-IOMROCGXSA-N 2 1 341.499 3.468 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1F ZINC000482130881 459291953 /nfs/dbraw/zinc/29/19/53/459291953.db2.gz FUHBIGUNCSTXPL-NVXWUHKLSA-N 2 1 335.467 3.254 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H]2CCc2ccccc2)CC1 ZINC000482540075 459313829 /nfs/dbraw/zinc/31/38/29/459313829.db2.gz CFZFPNVVAGQCKR-FCHUYYIVSA-N 2 1 343.559 3.405 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cc2c(s1)CCCC2 ZINC000482744897 459322858 /nfs/dbraw/zinc/32/28/58/459322858.db2.gz NPQKXLQCHPKSSZ-RDJZCZTQSA-N 2 1 336.545 3.370 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCN(c3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000560536018 459367315 /nfs/dbraw/zinc/36/73/15/459367315.db2.gz FWVQOAQABJKZBD-ACRUOGEOSA-N 2 1 327.516 3.365 20 0 EGADMP CCc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c2ccccc2[nH+]1 ZINC000568968509 459374411 /nfs/dbraw/zinc/37/44/11/459374411.db2.gz MYBYHKVLOJRTFH-DOTOQJQBSA-N 2 1 325.456 3.097 20 0 EGADMP Cn1ccnc1[C@H]1CCN(Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000540918159 459402657 /nfs/dbraw/zinc/40/26/57/459402657.db2.gz CFUSSYQVPIKIBS-LBPRGKRZSA-N 2 1 343.818 3.113 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CCC2 ZINC000591582961 459407603 /nfs/dbraw/zinc/40/76/03/459407603.db2.gz VOKDQTCYARPLHH-HUUCEWRRSA-N 2 1 346.471 3.406 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)C1 ZINC000541574319 459467864 /nfs/dbraw/zinc/46/78/64/459467864.db2.gz JKWNONGJULTLLJ-JKSUJKDBSA-N 2 1 325.541 3.170 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000569758051 459503526 /nfs/dbraw/zinc/50/35/26/459503526.db2.gz XQXOZIOIPGGNDY-HNNXBMFYSA-N 2 1 338.224 3.141 20 0 EGADMP C[C@@H]1COCC[N@@H+]1CCS[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000592354499 459579173 /nfs/dbraw/zinc/57/91/73/459579173.db2.gz HGZMBLHWQUMBJT-IEBWSBKVSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@@H]1COCC[N@H+]1CCS[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000592354499 459579177 /nfs/dbraw/zinc/57/91/77/459579177.db2.gz HGZMBLHWQUMBJT-IEBWSBKVSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@@H]1COCC[NH+]1CCS[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000592354499 459579181 /nfs/dbraw/zinc/57/91/81/459579181.db2.gz HGZMBLHWQUMBJT-IEBWSBKVSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@@H]1COCC[NH+]1CCS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000592354499 459579185 /nfs/dbraw/zinc/57/91/85/459579185.db2.gz HGZMBLHWQUMBJT-IEBWSBKVSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000573111315 459628853 /nfs/dbraw/zinc/62/88/53/459628853.db2.gz QSIHHFZOFQTYBD-VQIMIIECSA-N 2 1 338.923 3.488 20 0 EGADMP COC[C@@H]([NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1)C1CCCC1 ZINC000527350350 459632971 /nfs/dbraw/zinc/63/29/71/459632971.db2.gz KUJYUBQOANBATE-LJQANCHMSA-N 2 1 338.536 3.205 20 0 EGADMP CC(C)[N@H+](C)CC1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000543701587 459685038 /nfs/dbraw/zinc/68/50/38/459685038.db2.gz IIFCMEUQMARNLZ-UHFFFAOYSA-N 2 1 331.508 3.024 20 0 EGADMP CC(C)[N@@H+](C)CC1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000543701587 459685043 /nfs/dbraw/zinc/68/50/43/459685043.db2.gz IIFCMEUQMARNLZ-UHFFFAOYSA-N 2 1 331.508 3.024 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCC[C@@H](C)CC3)CC2)CC1 ZINC000573860743 459747366 /nfs/dbraw/zinc/74/73/66/459747366.db2.gz AOFLJMKWAJOQHR-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)[C@@H]2CC23CC3)CC1 ZINC000527845103 459757380 /nfs/dbraw/zinc/75/73/80/459757380.db2.gz CCEIWKSQRZDINX-XLIONFOSSA-N 2 1 327.516 3.102 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@H]([NH3+])C[C@@H]3C)CCC2)c1 ZINC000574050187 459774050 /nfs/dbraw/zinc/77/40/50/459774050.db2.gz CXVVJWVQQFDZRS-WMZOPIPTSA-N 2 1 332.488 3.194 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC45CC(C4)CO5)[C@H]3C2)cc1 ZINC000527981996 459788049 /nfs/dbraw/zinc/78/80/49/459788049.db2.gz PQJXLJMOBODBHJ-GNOAVMNFSA-N 2 1 340.511 3.446 20 0 EGADMP C[C@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000528003129 459793443 /nfs/dbraw/zinc/79/34/43/459793443.db2.gz UVPCAIBIJKXAOT-LDQXTDLNSA-N 2 1 349.478 3.050 20 0 EGADMP C[C@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528003129 459793446 /nfs/dbraw/zinc/79/34/46/459793446.db2.gz UVPCAIBIJKXAOT-LDQXTDLNSA-N 2 1 349.478 3.050 20 0 EGADMP Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c(C)c1 ZINC000566058993 459799356 /nfs/dbraw/zinc/79/93/56/459799356.db2.gz NBFWNUHGFFDLHR-FUHWJXTLSA-N 2 1 327.476 3.060 20 0 EGADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1C ZINC000566107867 459805997 /nfs/dbraw/zinc/80/59/97/459805997.db2.gz BIUANDSIMDTJJX-WOJBJXKFSA-N 2 1 348.531 3.062 20 0 EGADMP C[NH+](C)CC[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C(C)(C)C ZINC000545309232 459822549 /nfs/dbraw/zinc/82/25/49/459822549.db2.gz WELBDWFVILBBOW-KRWDZBQOSA-N 2 1 325.541 3.124 20 0 EGADMP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)nnn1-c1ccc(F)cc1 ZINC000566245102 459827764 /nfs/dbraw/zinc/82/77/64/459827764.db2.gz IGFRLNNSMAFLBP-ZDUSSCGKSA-N 2 1 339.418 3.024 20 0 EGADMP C[C@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000574865739 459883725 /nfs/dbraw/zinc/88/37/25/459883725.db2.gz PMVXVOZLTNMHFP-JPQBHMHHSA-N 2 1 348.453 3.465 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)o1 ZINC000618385442 459992208 /nfs/dbraw/zinc/99/22/08/459992208.db2.gz RYGNXOXJONZMLU-CVEARBPZSA-N 2 1 335.492 3.114 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)[C@@H]1c1cccs1 ZINC000621652061 459997210 /nfs/dbraw/zinc/99/72/10/459997210.db2.gz VCSFESGOYSPGQX-FRQCXROJSA-N 2 1 349.544 3.027 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000625277888 460103138 /nfs/dbraw/zinc/10/31/38/460103138.db2.gz WGAODEHVSMQVKC-UHFFFAOYSA-N 2 1 339.911 3.305 20 0 EGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000576507147 460155097 /nfs/dbraw/zinc/15/50/97/460155097.db2.gz MYILADSQWMBIJD-RTBURBONSA-N 2 1 338.455 3.084 20 0 EGADMP COC(=O)c1oc([C@@H](C)[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1C ZINC000602846031 460157875 /nfs/dbraw/zinc/15/78/75/460157875.db2.gz OSWNTKMGBGUISJ-OAHLLOKOSA-N 2 1 343.427 3.043 20 0 EGADMP CC(C)c1ccc(-c2noc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)n2)cc1 ZINC000576704357 460197073 /nfs/dbraw/zinc/19/70/73/460197073.db2.gz LYEJEAUXBMWSLB-RCCFBDPRSA-N 2 1 340.471 3.419 20 0 EGADMP CC(C)c1ccc(-c2noc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)n2)cc1 ZINC000576704357 460197078 /nfs/dbraw/zinc/19/70/78/460197078.db2.gz LYEJEAUXBMWSLB-RCCFBDPRSA-N 2 1 340.471 3.419 20 0 EGADMP COC(=O)CCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000599306419 460222736 /nfs/dbraw/zinc/22/27/36/460222736.db2.gz IAXVMQNPBWXKLL-PKOBYXMFSA-N 2 1 332.488 3.315 20 0 EGADMP COC(=O)CCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000599306419 460222742 /nfs/dbraw/zinc/22/27/42/460222742.db2.gz IAXVMQNPBWXKLL-PKOBYXMFSA-N 2 1 332.488 3.315 20 0 EGADMP COC(=O)CCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000599306419 460222745 /nfs/dbraw/zinc/22/27/45/460222745.db2.gz IAXVMQNPBWXKLL-PKOBYXMFSA-N 2 1 332.488 3.315 20 0 EGADMP COC(=O)CCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000599306419 460222747 /nfs/dbraw/zinc/22/27/47/460222747.db2.gz IAXVMQNPBWXKLL-PKOBYXMFSA-N 2 1 332.488 3.315 20 0 EGADMP FC1(F)CCC[NH+](CCOCC[N@@H+]2CCCC(F)(F)CC2)CC1 ZINC000625770237 460256341 /nfs/dbraw/zinc/25/63/41/460256341.db2.gz SSMXNYWWKMZJNQ-UHFFFAOYSA-N 2 1 340.405 3.245 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CCN1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798892 460267858 /nfs/dbraw/zinc/26/78/58/460267858.db2.gz HPXXKNDJBPISLK-UTKZUKDTSA-N 2 1 342.483 3.361 20 0 EGADMP CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798892 460267860 /nfs/dbraw/zinc/26/78/60/460267860.db2.gz HPXXKNDJBPISLK-UTKZUKDTSA-N 2 1 342.483 3.361 20 0 EGADMP CN1CCCC[C@@H]1CC[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798892 460267865 /nfs/dbraw/zinc/26/78/65/460267865.db2.gz HPXXKNDJBPISLK-UTKZUKDTSA-N 2 1 342.483 3.361 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000619425897 460352221 /nfs/dbraw/zinc/35/22/21/460352221.db2.gz LSOLUUPBBNSFCL-GOSISDBHSA-N 2 1 332.488 3.078 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)NCCC(C)C ZINC000626062067 460358666 /nfs/dbraw/zinc/35/86/66/460358666.db2.gz FFAGRJIPABMTBO-QGZVFWFLSA-N 2 1 333.520 3.121 20 0 EGADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCCC[NH+](C)C ZINC000628540935 460450820 /nfs/dbraw/zinc/45/08/20/460450820.db2.gz UCENKFFAWZXCBD-HXUWFJFHSA-N 2 1 345.531 3.087 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000631575450 460452149 /nfs/dbraw/zinc/45/21/49/460452149.db2.gz FPCYJYMOFPRIQJ-ANULTFPQSA-N 2 1 340.511 3.446 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc3ncccc23)C1 ZINC000634688451 460478040 /nfs/dbraw/zinc/47/80/40/460478040.db2.gz SSNLOVUGYSQKHO-LSTHTHJFSA-N 2 1 325.456 3.096 20 0 EGADMP O[C@@]1(CNc2ccc3c[nH+]ccc3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634718582 460491617 /nfs/dbraw/zinc/49/16/17/460491617.db2.gz FVKPRUMSPKAVGP-OAQYLSRUSA-N 2 1 333.435 3.284 20 0 EGADMP Cc1ccc2ncc(C[N@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)cc2c1 ZINC000629539932 460800432 /nfs/dbraw/zinc/80/04/32/460800432.db2.gz SOHVUXAHRCYUCQ-HFSMHLIXSA-N 2 1 339.483 3.262 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000629543819 460802942 /nfs/dbraw/zinc/80/29/42/460802942.db2.gz FHCBKWQSASGYMO-KBMXLJTQSA-N 2 1 325.859 3.178 20 0 EGADMP C[NH2+]CCC[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000629547787 460804297 /nfs/dbraw/zinc/80/42/97/460804297.db2.gz FZJSNRBZGGGXQR-CQSZACIVSA-N 2 1 329.307 3.225 20 0 EGADMP CSc1ccc(OCC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629561627 460808549 /nfs/dbraw/zinc/80/85/49/460808549.db2.gz JUAWZDICYIUQPC-WFASDCNBSA-N 2 1 348.434 3.246 20 0 EGADMP CSc1ccc(OCC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629561627 460808555 /nfs/dbraw/zinc/80/85/55/460808555.db2.gz JUAWZDICYIUQPC-WFASDCNBSA-N 2 1 348.434 3.246 20 0 EGADMP CSc1ccc(OCC[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629561617 460808793 /nfs/dbraw/zinc/80/87/93/460808793.db2.gz JUAWZDICYIUQPC-DOMZBBRYSA-N 2 1 348.434 3.246 20 0 EGADMP CSc1ccc(OCC[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629561617 460808797 /nfs/dbraw/zinc/80/87/97/460808797.db2.gz JUAWZDICYIUQPC-DOMZBBRYSA-N 2 1 348.434 3.246 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000635495535 460811208 /nfs/dbraw/zinc/81/12/08/460811208.db2.gz PQFWTHOWTNBOCA-SFHVURJKSA-N 2 1 346.519 3.121 20 0 EGADMP C[NH2+]CCOCC[N@H+](C)Cc1nc(-c2ccccc2Cl)cs1 ZINC000629572508 460812573 /nfs/dbraw/zinc/81/25/73/460812573.db2.gz VDPRGJXWKFPOBP-UHFFFAOYSA-N 2 1 339.892 3.131 20 0 EGADMP C[NH2+]CCOCC[N@@H+](C)Cc1nc(-c2ccccc2Cl)cs1 ZINC000629572508 460812580 /nfs/dbraw/zinc/81/25/80/460812580.db2.gz VDPRGJXWKFPOBP-UHFFFAOYSA-N 2 1 339.892 3.131 20 0 EGADMP CCc1cccc(OCC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629567733 460813391 /nfs/dbraw/zinc/81/33/91/460813391.db2.gz QNHKCQSEELMBQK-HOCLYGCPSA-N 2 1 330.394 3.087 20 0 EGADMP CCc1cccc(OCC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629567733 460813400 /nfs/dbraw/zinc/81/34/00/460813400.db2.gz QNHKCQSEELMBQK-HOCLYGCPSA-N 2 1 330.394 3.087 20 0 EGADMP CC1(C)Cc2cc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)ccc2O1 ZINC000629655419 460849483 /nfs/dbraw/zinc/84/94/83/460849483.db2.gz KQDDDDUSNUGGBA-CABCVRRESA-N 2 1 342.405 3.359 20 0 EGADMP CC1(C)Cc2cc(C[N@H+]3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)ccc2O1 ZINC000629655419 460849486 /nfs/dbraw/zinc/84/94/86/460849486.db2.gz KQDDDDUSNUGGBA-CABCVRRESA-N 2 1 342.405 3.359 20 0 EGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624122155 460872534 /nfs/dbraw/zinc/87/25/34/460872534.db2.gz KWWNGLFBTYYWEE-ZWKOTPCHSA-N 2 1 334.504 3.346 20 0 EGADMP CCc1cccc2cc(C[N@@H+](C)CCN(C)C3CC[NH+](C)CC3)oc21 ZINC000668158574 461142915 /nfs/dbraw/zinc/14/29/15/461142915.db2.gz XFDJQGISVZZKAC-UHFFFAOYSA-N 2 1 343.515 3.453 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)C1 ZINC000652349317 461142948 /nfs/dbraw/zinc/14/29/48/461142948.db2.gz KLRJBVBKXDERRA-UNEWFSDZSA-N 2 1 347.484 3.121 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000646243229 461145120 /nfs/dbraw/zinc/14/51/20/461145120.db2.gz AYJMLTGKKCHKRV-HXUWFJFHSA-N 2 1 340.471 3.003 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000646243229 461145131 /nfs/dbraw/zinc/14/51/31/461145131.db2.gz AYJMLTGKKCHKRV-HXUWFJFHSA-N 2 1 340.471 3.003 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000646243229 461145139 /nfs/dbraw/zinc/14/51/39/461145139.db2.gz AYJMLTGKKCHKRV-HXUWFJFHSA-N 2 1 340.471 3.003 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000646243229 461145148 /nfs/dbraw/zinc/14/51/48/461145148.db2.gz AYJMLTGKKCHKRV-HXUWFJFHSA-N 2 1 340.471 3.003 20 0 EGADMP C[C@H]1CCC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)[C@H]1CC[NH3+] ZINC000652355140 461148927 /nfs/dbraw/zinc/14/89/27/461148927.db2.gz QBIPSWCYYOHGQQ-BBRMVZONSA-N 2 1 348.878 3.382 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000668172331 461156212 /nfs/dbraw/zinc/15/62/12/461156212.db2.gz LDUANFGXKZWUAT-QRFRQXIXSA-N 2 1 332.488 3.016 20 0 EGADMP CCN(Cc1snnc1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649545806 461163932 /nfs/dbraw/zinc/16/39/32/461163932.db2.gz UPYMMAJYAXLTQO-KRWDZBQOSA-N 2 1 330.501 3.191 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662293226 461169431 /nfs/dbraw/zinc/16/94/31/461169431.db2.gz DNWSQMVJRNLPHB-FUHWJXTLSA-N 2 1 329.488 3.034 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(F)c1 ZINC000662294654 461172705 /nfs/dbraw/zinc/17/27/05/461172705.db2.gz DIJKBLQKZKPHQO-WBVHZDCISA-N 2 1 347.478 3.173 20 0 EGADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295173 461173555 /nfs/dbraw/zinc/17/35/55/461173555.db2.gz FSASCAQAFYVBON-FUHWJXTLSA-N 2 1 329.488 3.034 20 0 EGADMP CCn1c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc2c1cccc2F ZINC000662295684 461175277 /nfs/dbraw/zinc/17/52/77/461175277.db2.gz WKEVCTNUNKEOAN-INIZCTEOSA-N 2 1 344.478 3.407 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296207 461176649 /nfs/dbraw/zinc/17/66/49/461176649.db2.gz XUEIDWVSQUOYSD-INIZCTEOSA-N 2 1 349.906 3.299 20 0 EGADMP Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)c1C ZINC000662296413 461176719 /nfs/dbraw/zinc/17/67/19/461176719.db2.gz ZQNNUKZQFHCWLX-QGZVFWFLSA-N 2 1 349.544 3.323 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)[C@@H]1CCC[NH3+] ZINC000662314035 461186683 /nfs/dbraw/zinc/18/66/83/461186683.db2.gz LQOITSDQCIUOLN-MKXGPGLRSA-N 2 1 335.536 3.007 20 0 EGADMP COCCN(Cc1c[nH+]c(C)n1C)Cc1ccc(F)c(Cl)c1 ZINC000668227544 461192717 /nfs/dbraw/zinc/19/27/17/461192717.db2.gz MYJFURVZWKNDAX-UHFFFAOYSA-N 2 1 325.815 3.170 20 0 EGADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(C[NH+]2CCCC2)c1 ZINC000655352896 461201912 /nfs/dbraw/zinc/20/19/12/461201912.db2.gz QGSKMRHIWYNQHI-WOJBJXKFSA-N 2 1 341.499 3.029 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662458944 461251907 /nfs/dbraw/zinc/25/19/07/461251907.db2.gz AOCXGDYUGJRCEJ-IAGOWNOFSA-N 2 1 341.499 3.016 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[C@H]2[NH2+]Cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000662497255 461270218 /nfs/dbraw/zinc/27/02/18/461270218.db2.gz HABRPPVOUCVXQR-OZOXKJRCSA-N 2 1 349.478 3.000 20 0 EGADMP CC(C)(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000662669469 461341742 /nfs/dbraw/zinc/34/17/42/461341742.db2.gz ZQABAGLUXHOUDM-HKUYNNGSSA-N 2 1 343.515 3.236 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655688728 461364118 /nfs/dbraw/zinc/36/41/18/461364118.db2.gz CTGCCNWUCIZAMX-HXUWFJFHSA-N 2 1 329.532 3.298 20 0 EGADMP Cc1ccc(OCCCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655695305 461366851 /nfs/dbraw/zinc/36/68/51/461366851.db2.gz WVOPTHVHDGZMOY-OAQYLSRUSA-N 2 1 346.515 3.387 20 0 EGADMP CC(C)c1ccc(OCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655700397 461372371 /nfs/dbraw/zinc/37/23/71/461372371.db2.gz GMIHTWHCHRHFBE-IBGZPJMESA-N 2 1 332.488 3.032 20 0 EGADMP CC(C)c1ccc(OCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655700398 461372885 /nfs/dbraw/zinc/37/28/85/461372885.db2.gz GMIHTWHCHRHFBE-LJQANCHMSA-N 2 1 332.488 3.032 20 0 EGADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000641805548 461380731 /nfs/dbraw/zinc/38/07/31/461380731.db2.gz NPRNTIMOIIKIJB-ROUUACIJSA-N 2 1 339.439 3.133 20 0 EGADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000641806993 461381936 /nfs/dbraw/zinc/38/19/36/461381936.db2.gz TWKVALCQEADNFG-ROUUACIJSA-N 2 1 339.439 3.133 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000655713219 461383492 /nfs/dbraw/zinc/38/34/92/461383492.db2.gz YSLAQBDUNDOQTM-OAHLLOKOSA-N 2 1 330.451 3.141 20 0 EGADMP Fc1cccc(Cl)c1CCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668693809 461383921 /nfs/dbraw/zinc/38/39/21/461383921.db2.gz WDGTWJAEJZMEGV-OAHLLOKOSA-N 2 1 340.870 3.255 20 0 EGADMP CCO[C@H](CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCC1 ZINC000655717855 461387070 /nfs/dbraw/zinc/38/70/70/461387070.db2.gz DYOGNPNANMMJCC-VQTJNVASSA-N 2 1 338.536 3.205 20 0 EGADMP Cc1nnsc1CNCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000638366428 461390313 /nfs/dbraw/zinc/39/03/13/461390313.db2.gz JBHCOJDRMBXWNQ-CQSZACIVSA-N 2 1 330.501 3.368 20 0 EGADMP Cc1nnsc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000638366428 461390317 /nfs/dbraw/zinc/39/03/17/461390317.db2.gz JBHCOJDRMBXWNQ-CQSZACIVSA-N 2 1 330.501 3.368 20 0 EGADMP Cc1nnsc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000638366428 461390323 /nfs/dbraw/zinc/39/03/23/461390323.db2.gz JBHCOJDRMBXWNQ-CQSZACIVSA-N 2 1 330.501 3.368 20 0 EGADMP O=C(CCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)NC1CC1 ZINC000638367558 461390528 /nfs/dbraw/zinc/39/05/28/461390528.db2.gz WTLPZNFECGKVCV-QUCCMNQESA-N 2 1 341.499 3.003 20 0 EGADMP O=C(CCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)NC1CC1 ZINC000638367558 461390540 /nfs/dbraw/zinc/39/05/40/461390540.db2.gz WTLPZNFECGKVCV-QUCCMNQESA-N 2 1 341.499 3.003 20 0 EGADMP CC(C)(C)c1cccc(OCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655730979 461398452 /nfs/dbraw/zinc/39/84/52/461398452.db2.gz SZBAYHNJFKXJEC-IBGZPJMESA-N 2 1 346.515 3.206 20 0 EGADMP C[C@H](N[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C(=O)NC(C)(C)C ZINC000638426539 461422578 /nfs/dbraw/zinc/42/25/78/461422578.db2.gz UQHYIEKJPOKILV-WDYCEAGBSA-N 2 1 343.515 3.247 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)C(=O)NC(C)(C)C ZINC000638426539 461422587 /nfs/dbraw/zinc/42/25/87/461422587.db2.gz UQHYIEKJPOKILV-WDYCEAGBSA-N 2 1 343.515 3.247 20 0 EGADMP C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000655762092 461429861 /nfs/dbraw/zinc/42/98/61/461429861.db2.gz AKUBGAALYDNCLK-NHCUHLMSSA-N 2 1 349.563 3.017 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000659834514 461443648 /nfs/dbraw/zinc/44/36/48/461443648.db2.gz SYAFSGPZJQCNQI-WZIVPHRBSA-N 2 1 341.543 3.295 20 0 EGADMP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655789940 461449953 /nfs/dbraw/zinc/44/99/53/461449953.db2.gz BTIWFZNSCAXVRO-XHSDSOJGSA-N 2 1 334.426 3.341 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000663095085 461454391 /nfs/dbraw/zinc/45/43/91/461454391.db2.gz NMVYHJKBVIQQIR-NHCUHLMSSA-N 2 1 344.499 3.052 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000663095085 461454394 /nfs/dbraw/zinc/45/43/94/461454394.db2.gz NMVYHJKBVIQQIR-NHCUHLMSSA-N 2 1 344.499 3.052 20 0 EGADMP COc1ccccc1N1CCC([NH2+]CC2([NH+](C)C)CCCC2)CC1 ZINC000631035110 461486313 /nfs/dbraw/zinc/48/63/13/461486313.db2.gz AKANBUHMDBJIFC-UHFFFAOYSA-N 2 1 331.504 3.128 20 0 EGADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000659897579 461487683 /nfs/dbraw/zinc/48/76/83/461487683.db2.gz XZVCALWIKJKXMP-NLWGTHIKSA-N 2 1 330.516 3.347 20 0 EGADMP COc1cccc(SCCN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000659974735 461523513 /nfs/dbraw/zinc/52/35/13/461523513.db2.gz PUBXCLQDMLMORY-KRWDZBQOSA-N 2 1 334.529 3.451 20 0 EGADMP COc1cccc(SCC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000659974735 461523521 /nfs/dbraw/zinc/52/35/21/461523521.db2.gz PUBXCLQDMLMORY-KRWDZBQOSA-N 2 1 334.529 3.451 20 0 EGADMP COc1cccc(SCC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000659974735 461523531 /nfs/dbraw/zinc/52/35/31/461523531.db2.gz PUBXCLQDMLMORY-KRWDZBQOSA-N 2 1 334.529 3.451 20 0 EGADMP COc1cccc(SCC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000659974735 461523540 /nfs/dbraw/zinc/52/35/40/461523540.db2.gz PUBXCLQDMLMORY-KRWDZBQOSA-N 2 1 334.529 3.451 20 0 EGADMP COc1cccc(SCC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000659974735 461523548 /nfs/dbraw/zinc/52/35/48/461523548.db2.gz PUBXCLQDMLMORY-KRWDZBQOSA-N 2 1 334.529 3.451 20 0 EGADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCSc3ccc(F)cc3F)CC[C@@H]21 ZINC000660010688 461545113 /nfs/dbraw/zinc/54/51/13/461545113.db2.gz KVPHUPJHFBPYBR-CJNGLKHVSA-N 2 1 326.456 3.473 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCSc3ccc(F)cc3F)CC[C@@H]21 ZINC000660010688 461545118 /nfs/dbraw/zinc/54/51/18/461545118.db2.gz KVPHUPJHFBPYBR-CJNGLKHVSA-N 2 1 326.456 3.473 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCSc3ccc(F)cc3F)CC[C@@H]21 ZINC000660010688 461545129 /nfs/dbraw/zinc/54/51/29/461545129.db2.gz KVPHUPJHFBPYBR-CJNGLKHVSA-N 2 1 326.456 3.473 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCSc3ccc(F)cc3F)CC[C@@H]21 ZINC000660010688 461545134 /nfs/dbraw/zinc/54/51/34/461545134.db2.gz KVPHUPJHFBPYBR-CJNGLKHVSA-N 2 1 326.456 3.473 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(F)c1N ZINC000638716878 461546703 /nfs/dbraw/zinc/54/67/03/461546703.db2.gz DDLOCEMLJMPUQD-HNAYVOBHSA-N 2 1 327.447 3.408 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(F)c1N ZINC000638716878 461546709 /nfs/dbraw/zinc/54/67/09/461546709.db2.gz DDLOCEMLJMPUQD-HNAYVOBHSA-N 2 1 327.447 3.408 20 0 EGADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000638723135 461548928 /nfs/dbraw/zinc/54/89/28/461548928.db2.gz YORIZLPHPMITNE-JYBIWHBTSA-N 2 1 343.515 3.076 20 0 EGADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000638723135 461548933 /nfs/dbraw/zinc/54/89/33/461548933.db2.gz YORIZLPHPMITNE-JYBIWHBTSA-N 2 1 343.515 3.076 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@@H]([NH3+])c1ccccc1C)C1CCCCC1 ZINC000653201077 461556586 /nfs/dbraw/zinc/55/65/86/461556586.db2.gz ZHSQITDRGXENDU-IBGZPJMESA-N 2 1 331.504 3.156 20 0 EGADMP COCCc1ncc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000631112472 461560130 /nfs/dbraw/zinc/56/01/30/461560130.db2.gz ZWLVXXYBQMNZHT-CABCVRRESA-N 2 1 337.533 3.075 20 0 EGADMP COCCc1ncc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000631112472 461560139 /nfs/dbraw/zinc/56/01/39/461560139.db2.gz ZWLVXXYBQMNZHT-CABCVRRESA-N 2 1 337.533 3.075 20 0 EGADMP CN(C(=O)CC[NH2+]C[C@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC000663357224 461585536 /nfs/dbraw/zinc/58/55/36/461585536.db2.gz FUJAJQXHSSSFNM-LJQANCHMSA-N 2 1 331.504 3.140 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638838516 461607134 /nfs/dbraw/zinc/60/71/34/461607134.db2.gz KTLOCZHKURWFCC-FPOVZHCZSA-N 2 1 325.500 3.206 20 0 EGADMP C[N@H+]1CC=C(C[NH2+][C@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638838516 461607143 /nfs/dbraw/zinc/60/71/43/461607143.db2.gz KTLOCZHKURWFCC-FPOVZHCZSA-N 3 1 325.500 3.206 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638838516 461607150 /nfs/dbraw/zinc/60/71/50/461607150.db2.gz KTLOCZHKURWFCC-FPOVZHCZSA-N 3 1 325.500 3.206 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638838516 461607156 /nfs/dbraw/zinc/60/71/56/461607156.db2.gz KTLOCZHKURWFCC-FPOVZHCZSA-N 3 1 325.500 3.206 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638838516 461607163 /nfs/dbraw/zinc/60/71/63/461607163.db2.gz KTLOCZHKURWFCC-FPOVZHCZSA-N 3 1 325.500 3.206 20 0 EGADMP COc1cc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)sn1 ZINC000660166304 461617007 /nfs/dbraw/zinc/61/70/07/461617007.db2.gz NZCRNGVDPXSHHW-UHFFFAOYSA-N 2 1 346.500 3.285 20 0 EGADMP COc1ccc([C@H](CC(C)C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000647302887 461622544 /nfs/dbraw/zinc/62/25/44/461622544.db2.gz YTEHFQBNCODNNA-FQEVSTJZSA-N 2 1 347.547 3.398 20 0 EGADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663467092 461657015 /nfs/dbraw/zinc/65/70/15/461657015.db2.gz ZNFLTCXTWJPTFO-GUDVDZBRSA-N 2 1 330.520 3.158 20 0 EGADMP CC1(C)C[C@@]1(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000663478086 461665905 /nfs/dbraw/zinc/66/59/05/461665905.db2.gz YZEQGXWBCDGTKU-TZIWHRDSSA-N 2 1 328.500 3.197 20 0 EGADMP CCOc1cccc2cc([C@H](C)NC[C@@H](O)C[N@@H+](C)C(C)C)oc21 ZINC000660255878 461669792 /nfs/dbraw/zinc/66/97/92/461669792.db2.gz AWVAZSXHNVPVHK-GOEBONIOSA-N 2 1 334.460 3.183 20 0 EGADMP Cn1cncc1CCC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000653557163 461721270 /nfs/dbraw/zinc/72/12/70/461721270.db2.gz FQTBVXNAHMLESQ-UHFFFAOYSA-N 2 1 329.288 3.169 20 0 EGADMP CC(C)c1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)on1 ZINC000643455257 461732488 /nfs/dbraw/zinc/73/24/88/461732488.db2.gz QEFRJIQNTCAYJP-MJGOQNOKSA-N 2 1 327.428 3.144 20 0 EGADMP CC(C)c1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)on1 ZINC000643455256 461733604 /nfs/dbraw/zinc/73/36/04/461733604.db2.gz QEFRJIQNTCAYJP-IEBWSBKVSA-N 2 1 327.428 3.144 20 0 EGADMP COc1cc(C[N@H+](C)CCC[NH3+])cc(OC)c1OCc1ccccc1 ZINC000647496991 461734898 /nfs/dbraw/zinc/73/48/98/461734898.db2.gz LJSYJYYHLYBJFS-UHFFFAOYSA-N 2 1 344.455 3.063 20 0 EGADMP COc1cc(C[N@@H+](C)CCC[NH3+])cc(OC)c1OCc1ccccc1 ZINC000647496991 461734909 /nfs/dbraw/zinc/73/49/09/461734909.db2.gz LJSYJYYHLYBJFS-UHFFFAOYSA-N 2 1 344.455 3.063 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(N2CCCC2)n1 ZINC000643471362 461739072 /nfs/dbraw/zinc/73/90/72/461739072.db2.gz WTEYAQKURJIRLL-VAMGGRTRSA-N 2 1 342.531 3.391 20 0 EGADMP Cn1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000647535687 461751347 /nfs/dbraw/zinc/75/13/47/461751347.db2.gz ZPQBIXWRWXXVKT-OAHLLOKOSA-N 2 1 338.455 3.394 20 0 EGADMP FC(F)(F)c1cccnc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542828 461756350 /nfs/dbraw/zinc/75/63/50/461756350.db2.gz CMOQXRADQWKDHI-ZIAGYGMSSA-N 2 1 327.394 3.312 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC34CC[NH2+]CC4)[C@@H]3CCC[C@@H]32)cc1 ZINC000643536420 461756869 /nfs/dbraw/zinc/75/68/69/461756869.db2.gz QQVBUVNLCZQTIQ-XSDIEEQYSA-N 3 1 339.527 3.161 20 0 EGADMP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC34CC[NH2+]CC4)[C@@H]3CCC[C@@H]32)cc1 ZINC000643536420 461756877 /nfs/dbraw/zinc/75/68/77/461756877.db2.gz QQVBUVNLCZQTIQ-XSDIEEQYSA-N 2 1 339.527 3.161 20 0 EGADMP Brc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543042 461757481 /nfs/dbraw/zinc/75/74/81/461757481.db2.gz GXDFBRALKSRJME-KGLIPLIRSA-N 2 1 338.293 3.056 20 0 EGADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543277 461757666 /nfs/dbraw/zinc/75/76/66/461757666.db2.gz KJAUNKCYTUZQAK-MOPGFXCFSA-N 2 1 338.499 3.392 20 0 EGADMP FC(F)(F)c1cccnc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542826 461757791 /nfs/dbraw/zinc/75/77/91/461757791.db2.gz CMOQXRADQWKDHI-KGLIPLIRSA-N 2 1 327.394 3.312 20 0 EGADMP COc1cc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543565 461758755 /nfs/dbraw/zinc/75/87/55/461758755.db2.gz PNRRBLKWXDGKAL-DLBZAZTESA-N 2 1 332.488 3.224 20 0 EGADMP Cn1c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc2ccc(Cl)cc21 ZINC000647543560 461759395 /nfs/dbraw/zinc/75/93/95/461759395.db2.gz PLAKDXICPJYMJX-LSDHHAIUSA-N 2 1 346.906 3.438 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](OC)C1CCOCC1 ZINC000639170730 461777740 /nfs/dbraw/zinc/77/77/40/461777740.db2.gz HJEHHQNQFSNJRA-FQEVSTJZSA-N 2 1 334.504 3.012 20 0 EGADMP COc1cc(Cl)c(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1OC ZINC000639179712 461785177 /nfs/dbraw/zinc/78/51/77/461785177.db2.gz UPSFPMCDNPLIGJ-BBRMVZONSA-N 2 1 338.879 3.273 20 0 EGADMP CC[C@H]([NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC ZINC000639241134 461822007 /nfs/dbraw/zinc/82/20/07/461822007.db2.gz HWBBTWOHQIHYGO-RXVVDRJESA-N 2 1 345.531 3.039 20 0 EGADMP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639247184 461825490 /nfs/dbraw/zinc/82/54/90/461825490.db2.gz TUIQQZJMSIIUMW-LKUPVBHCSA-N 2 1 338.499 3.309 20 0 EGADMP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639247184 461825492 /nfs/dbraw/zinc/82/54/92/461825492.db2.gz TUIQQZJMSIIUMW-LKUPVBHCSA-N 2 1 338.499 3.309 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647789583 461835679 /nfs/dbraw/zinc/83/56/79/461835679.db2.gz HNIXATZITOBOFK-HGIWEUDGSA-N 3 1 341.543 3.396 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000656689977 461843949 /nfs/dbraw/zinc/84/39/49/461843949.db2.gz DMUCBKRXJSXWHM-LEWJYISDSA-N 2 1 326.484 3.261 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000656689977 461843953 /nfs/dbraw/zinc/84/39/53/461843953.db2.gz DMUCBKRXJSXWHM-LEWJYISDSA-N 2 1 326.484 3.261 20 0 EGADMP O[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2NCc2ccc(Cl)cc2Cl)C1 ZINC000643960441 461844779 /nfs/dbraw/zinc/84/47/79/461844779.db2.gz WJWPTTMYBXIVPZ-BMFZPTHFSA-N 2 1 329.271 3.071 20 0 EGADMP O[C@@H]1CCN([C@H]2CCC[C@H]2[NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000643960441 461844784 /nfs/dbraw/zinc/84/47/84/461844784.db2.gz WJWPTTMYBXIVPZ-BMFZPTHFSA-N 2 1 329.271 3.071 20 0 EGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784087 461893887 /nfs/dbraw/zinc/89/38/87/461893887.db2.gz CLWNPTIISRQPTH-SFHVURJKSA-N 2 1 332.536 3.467 20 0 EGADMP c1nc([C@@H]2CCCO2)sc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784052 461894478 /nfs/dbraw/zinc/89/44/78/461894478.db2.gz YAKISYGJQYTKSL-RDJZCZTQSA-N 2 1 335.517 3.206 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3csc(-c4ccco4)n3)C2)C1 ZINC000650706160 461899190 /nfs/dbraw/zinc/89/91/90/461899190.db2.gz FMVMQWIBEWWBGE-JJRVBVJISA-N 2 1 347.484 3.121 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000650706278 461899998 /nfs/dbraw/zinc/89/99/98/461899998.db2.gz HTMGGAYPOKNGOQ-MPGHIAIKSA-N 2 1 338.879 3.067 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000650707537 461902095 /nfs/dbraw/zinc/90/20/95/461902095.db2.gz HZTIMBCDWZDXHG-ZVDOUQERSA-N 2 1 344.499 3.194 20 0 EGADMP C[N@H+]1CC[C@]2(C1)CCCN(CC(=O)Nc1cccc3ccccc31)C2 ZINC000660654901 461904529 /nfs/dbraw/zinc/90/45/29/461904529.db2.gz CUYBBQMFTALFLN-NRFANRHFSA-N 2 1 337.467 3.196 20 0 EGADMP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1OC(F)F ZINC000666999412 461905505 /nfs/dbraw/zinc/90/55/05/461905505.db2.gz FEWZZZHGFVLEQE-CQSZACIVSA-N 2 1 340.414 3.451 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1OC(F)F ZINC000666999462 461906277 /nfs/dbraw/zinc/90/62/77/461906277.db2.gz KMJHOJFFLGXXAR-CYBMUJFWSA-N 2 1 326.387 3.061 20 0 EGADMP C[N@H+]1CC[C@@]2(C1)CCCN(CCOc1ccc(F)cc1Cl)C2 ZINC000660663397 461912407 /nfs/dbraw/zinc/91/24/07/461912407.db2.gz NSZGXNAICCDDGZ-QGZVFWFLSA-N 2 1 326.843 3.276 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2csc(-c3ccco3)n2)C1 ZINC000650723862 461916806 /nfs/dbraw/zinc/91/68/06/461916806.db2.gz VBYSSYBPRVKMFY-UNEWFSDZSA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2csc(-c3ccco3)n2)C1 ZINC000650723862 461916810 /nfs/dbraw/zinc/91/68/10/461916810.db2.gz VBYSSYBPRVKMFY-UNEWFSDZSA-N 2 1 347.484 3.264 20 0 EGADMP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647975448 461917328 /nfs/dbraw/zinc/91/73/28/461917328.db2.gz AKPJGNRAYALCON-IPMKNSEASA-N 2 1 343.515 3.140 20 0 EGADMP Cc1ccccc1-c1noc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647975743 461917572 /nfs/dbraw/zinc/91/75/72/461917572.db2.gz FKCQFHMLOSCOSN-IRXDYDNUSA-N 2 1 340.471 3.257 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1C ZINC000647976498 461918334 /nfs/dbraw/zinc/91/83/34/461918334.db2.gz POCYLLADVSFFJC-FHWLQOOXSA-N 2 1 343.515 3.342 20 0 EGADMP CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976328 461918421 /nfs/dbraw/zinc/91/84/21/461918421.db2.gz NCCHGPKYLNBNAB-RTBURBONSA-N 2 1 343.515 3.208 20 0 EGADMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000647976510 461918987 /nfs/dbraw/zinc/91/89/87/461918987.db2.gz POXDCDIQEQYEES-HZPDHXFCSA-N 2 1 349.906 3.380 20 0 EGADMP FC(F)(F)c1csc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647977797 461920601 /nfs/dbraw/zinc/92/06/01/461920601.db2.gz HRPWZNJDEPVJFI-NEPJUHHUSA-N 2 1 333.423 3.374 20 0 EGADMP FC(F)(F)c1csc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647977797 461920604 /nfs/dbraw/zinc/92/06/04/461920604.db2.gz HRPWZNJDEPVJFI-NEPJUHHUSA-N 2 1 333.423 3.374 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cnn(Cc2ccccc2)c1 ZINC000650753093 461935324 /nfs/dbraw/zinc/93/53/24/461935324.db2.gz GQPUYMGBMMCMRV-OAHLLOKOSA-N 2 1 338.430 3.380 20 0 EGADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)Cc1cccs1 ZINC000644575332 461992092 /nfs/dbraw/zinc/99/20/92/461992092.db2.gz GOEDAWBLNZINDD-SJLPKXTDSA-N 2 1 332.513 3.009 20 0 EGADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)Cc1cccs1 ZINC000644575332 461992096 /nfs/dbraw/zinc/99/20/96/461992096.db2.gz GOEDAWBLNZINDD-SJLPKXTDSA-N 2 1 332.513 3.009 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc4n3CCC4)cc2)C1 ZINC000657310903 462033919 /nfs/dbraw/zinc/03/39/19/462033919.db2.gz RMSJYYHDGRDTGB-KRWDZBQOSA-N 2 1 338.499 3.351 20 0 EGADMP Cc1c(Br)cncc1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000657317068 462040686 /nfs/dbraw/zinc/04/06/86/462040686.db2.gz OZAACLBHIGEAHZ-CYBMUJFWSA-N 2 1 340.309 3.364 20 0 EGADMP c1cc(NC[C@H]2CCC[N@H+](CC3CC3)C2)nc(N2CCCCC2)[nH+]1 ZINC000664677979 462146698 /nfs/dbraw/zinc/14/66/98/462146698.db2.gz FTPRWBABJMEYOF-QGZVFWFLSA-N 2 1 329.492 3.001 20 0 EGADMP c1cc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)nc(N2CCCCC2)[nH+]1 ZINC000664677979 462146705 /nfs/dbraw/zinc/14/67/05/462146705.db2.gz FTPRWBABJMEYOF-QGZVFWFLSA-N 2 1 329.492 3.001 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]C2CCc3ccccc3CC2)CC1 ZINC000651242376 462150443 /nfs/dbraw/zinc/15/04/43/462150443.db2.gz FKBXKPFSSUAWOT-UHFFFAOYSA-N 2 1 330.516 3.413 20 0 EGADMP CCCn1nccc1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667620731 462177579 /nfs/dbraw/zinc/17/75/79/462177579.db2.gz MRDGADDCJCBEHY-LJQANCHMSA-N 2 1 326.488 3.247 20 0 EGADMP c1cc(O[C@H]2CCOC2)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000667671333 462205129 /nfs/dbraw/zinc/20/51/29/462205129.db2.gz PBNOVSKATOGGMB-CTNGQTDRSA-N 2 1 344.499 3.162 20 0 EGADMP c1cc(O[C@H]2CCOC2)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000667671333 462205136 /nfs/dbraw/zinc/20/51/36/462205136.db2.gz PBNOVSKATOGGMB-CTNGQTDRSA-N 2 1 344.499 3.162 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000667673006 462206223 /nfs/dbraw/zinc/20/62/23/462206223.db2.gz NAYGIAJKUYRWKP-HKUYNNGSSA-N 2 1 334.504 3.264 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000667673006 462206229 /nfs/dbraw/zinc/20/62/29/462206229.db2.gz NAYGIAJKUYRWKP-HKUYNNGSSA-N 2 1 334.504 3.264 20 0 EGADMP Cc1[nH+]cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1C ZINC000667705749 462224438 /nfs/dbraw/zinc/22/44/38/462224438.db2.gz JXBARSJPKVLLEQ-TZIWHRDSSA-N 2 1 338.499 3.215 20 0 EGADMP Cc1[nH+]cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1C ZINC000667705749 462224444 /nfs/dbraw/zinc/22/44/44/462224444.db2.gz JXBARSJPKVLLEQ-TZIWHRDSSA-N 2 1 338.499 3.215 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667731258 462236160 /nfs/dbraw/zinc/23/61/60/462236160.db2.gz OPWNHNUDBWHNDE-BEFAXECRSA-N 2 1 338.455 3.102 20 0 EGADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)CC[N@H+]1C ZINC000648737975 462254442 /nfs/dbraw/zinc/25/44/42/462254442.db2.gz SWUPZPKSZOAXDT-FRQCXROJSA-N 2 1 329.488 3.340 20 0 EGADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[NH+]1C ZINC000648737975 462254450 /nfs/dbraw/zinc/25/44/50/462254450.db2.gz SWUPZPKSZOAXDT-FRQCXROJSA-N 2 1 329.488 3.340 20 0 EGADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[NH+]1C ZINC000648737975 462254455 /nfs/dbraw/zinc/25/44/55/462254455.db2.gz SWUPZPKSZOAXDT-FRQCXROJSA-N 2 1 329.488 3.340 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000640099035 462257158 /nfs/dbraw/zinc/25/71/58/462257158.db2.gz HCOZTVKOMMTARY-ZCNNSNEGSA-N 2 1 325.456 3.306 20 0 EGADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(COC[C@@H]2CCCO2)c1 ZINC000657802630 462274061 /nfs/dbraw/zinc/27/40/61/462274061.db2.gz COVNHTKVTNLAAP-HKBOAZHASA-N 2 1 344.499 3.099 20 0 EGADMP CCC(CC)(CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000648784304 462276294 /nfs/dbraw/zinc/27/62/94/462276294.db2.gz LITQAYKPNRWXNP-ZHALLVOQSA-N 2 1 345.531 3.352 20 0 EGADMP COc1cc2ccc([C@@H](C)[NH2+]CCc3c[nH+]cn3C)cc2cc1OC ZINC000657980351 462336321 /nfs/dbraw/zinc/33/63/21/462336321.db2.gz BYNQISXGGUFTFR-CQSZACIVSA-N 2 1 339.439 3.484 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000665277144 462380099 /nfs/dbraw/zinc/38/00/99/462380099.db2.gz UVJXYABXAHCMPR-VAMGGRTRSA-N 2 1 327.516 3.148 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000665277144 462380103 /nfs/dbraw/zinc/38/01/03/462380103.db2.gz UVJXYABXAHCMPR-VAMGGRTRSA-N 3 1 327.516 3.148 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000665277144 462380105 /nfs/dbraw/zinc/38/01/05/462380105.db2.gz UVJXYABXAHCMPR-VAMGGRTRSA-N 3 1 327.516 3.148 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000665299006 462390369 /nfs/dbraw/zinc/39/03/69/462390369.db2.gz DUVBUMFAXGRTLF-DNVCBOLYSA-N 2 1 347.466 3.373 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c(C2CC2)cnn1C ZINC000658214712 462431576 /nfs/dbraw/zinc/43/15/76/462431576.db2.gz ZDPCAUPARCNRRD-JXFKEZNVSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c(C2CC2)cnn1C ZINC000658214712 462431582 /nfs/dbraw/zinc/43/15/82/462431582.db2.gz ZDPCAUPARCNRRD-JXFKEZNVSA-N 2 1 338.499 3.298 20 0 EGADMP COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC000640533814 462431933 /nfs/dbraw/zinc/43/19/33/462431933.db2.gz WJYUOWZNAMIODA-KRWDZBQOSA-N 2 1 347.503 3.220 20 0 EGADMP C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658211857 462432077 /nfs/dbraw/zinc/43/20/77/462432077.db2.gz HRCQWAAUWLFQFX-QFBILLFUSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658211857 462432081 /nfs/dbraw/zinc/43/20/81/462432081.db2.gz HRCQWAAUWLFQFX-QFBILLFUSA-N 2 1 338.499 3.298 20 0 EGADMP OC[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC1CC1 ZINC000658257298 462445433 /nfs/dbraw/zinc/44/54/33/462445433.db2.gz ZLDYAXYHIYVFIO-MXEMCNAFSA-N 2 1 328.500 3.180 20 0 EGADMP Fc1ccc([C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)c2ncc[nH]2)cc1 ZINC000658358007 462489965 /nfs/dbraw/zinc/48/99/65/462489965.db2.gz XGNJFWROUUJQON-IBGZPJMESA-N 2 1 342.462 3.350 20 0 EGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)o1 ZINC000180998129 533746588 /nfs/dbraw/zinc/74/65/88/533746588.db2.gz NKRAZFVKMIIORT-BPAFIMBUSA-N 2 1 340.467 3.259 20 0 EGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)o1 ZINC000180998129 533746593 /nfs/dbraw/zinc/74/65/93/533746593.db2.gz NKRAZFVKMIIORT-BPAFIMBUSA-N 2 1 340.467 3.259 20 0 EGADMP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCCO2 ZINC000132828491 534504789 /nfs/dbraw/zinc/50/47/89/534504789.db2.gz YTWOJSKXTQVDLT-DNVCBOLYSA-N 2 1 348.462 3.130 20 0 EGADMP CC[NH+](CC)CCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000132672354 528112190 /nfs/dbraw/zinc/11/21/90/528112190.db2.gz FCJAPTYIBKNGCQ-UHFFFAOYSA-N 3 1 346.563 3.039 20 0 EGADMP CCCCNC(=O)c1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000177877468 528551121 /nfs/dbraw/zinc/55/11/21/528551121.db2.gz APGULFRXZKTHLX-BXWFABGCSA-N 2 1 331.504 3.035 20 0 EGADMP CCOc1cccc2cc([C@H](C)[NH2+][C@H](C)CN3CC[NH+](C)CC3)oc21 ZINC000181721048 528701089 /nfs/dbraw/zinc/70/10/89/528701089.db2.gz CJDZOXLLJXAYSG-CVEARBPZSA-N 2 1 345.487 3.118 20 0 EGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)C1 ZINC000174119892 528772575 /nfs/dbraw/zinc/77/25/75/528772575.db2.gz MDMPXGREAXCSMT-HXUWFJFHSA-N 2 1 345.531 3.473 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCc2c1cnn2C ZINC000154883344 528836124 /nfs/dbraw/zinc/83/61/24/528836124.db2.gz QBSQAZFXYIUAPW-IBGZPJMESA-N 2 1 326.488 3.428 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)CC1 ZINC000191502205 529042125 /nfs/dbraw/zinc/04/21/25/529042125.db2.gz VQWCXTMNLSWTEN-UYAOXDASSA-N 2 1 347.522 3.420 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccccc2F)C2CC2)CC1 ZINC000191391091 529042569 /nfs/dbraw/zinc/04/25/69/529042569.db2.gz BUSFFTSSMPVCNL-UHFFFAOYSA-N 2 1 333.495 3.206 20 0 EGADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc3ccccc3n2)CC1 ZINC000178005686 529143555 /nfs/dbraw/zinc/14/35/55/529143555.db2.gz PAEMZKFRENNTSY-GOSISDBHSA-N 2 1 340.515 3.303 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000154484290 529143623 /nfs/dbraw/zinc/14/36/23/529143623.db2.gz UXQVTARQZIDJIK-SFHVURJKSA-N 2 1 333.520 3.072 20 0 EGADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(F)ccc2F)CC1 ZINC000154458446 529143724 /nfs/dbraw/zinc/14/37/24/529143724.db2.gz VYVIHCKOTQFBEJ-HNNXBMFYSA-N 2 1 325.447 3.033 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(O)cc2)[C@H](C)C1 ZINC000268826836 535525919 /nfs/dbraw/zinc/52/59/19/535525919.db2.gz BEDGRBDOIWEWIZ-HLIPFELVSA-N 2 1 334.504 3.050 20 0 EGADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000353463038 535917328 /nfs/dbraw/zinc/91/73/28/535917328.db2.gz LPSWUPZOSVBERB-UHFFFAOYSA-N 2 1 345.512 3.011 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000265044921 535965277 /nfs/dbraw/zinc/96/52/77/535965277.db2.gz NXSLATVHAPGMOZ-MRXNPFEDSA-N 2 1 325.456 3.052 20 0 EGADMP C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109998 546584179 /nfs/dbraw/zinc/58/41/79/546584179.db2.gz WPQIGUOXUJWLTB-KRWDZBQOSA-N 2 1 344.421 3.409 20 0 EGADMP C[NH+](CCCOCC(F)(F)F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109998 546584182 /nfs/dbraw/zinc/58/41/82/546584182.db2.gz WPQIGUOXUJWLTB-KRWDZBQOSA-N 2 1 344.421 3.409 20 0 EGADMP C[NH+](CCCOCC(F)(F)F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109998 546584185 /nfs/dbraw/zinc/58/41/85/546584185.db2.gz WPQIGUOXUJWLTB-KRWDZBQOSA-N 2 1 344.421 3.409 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000090184981 546654284 /nfs/dbraw/zinc/65/42/84/546654284.db2.gz SEKHAQZVARCMHW-FXAWDEMLSA-N 2 1 340.515 3.470 20 0 EGADMP CCC[NH+]1CCC(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000126766209 546762222 /nfs/dbraw/zinc/76/22/22/546762222.db2.gz IBXNCHFEANJJGI-KRWDZBQOSA-N 2 1 335.561 3.424 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC[NH+](C)CC1 ZINC000126904637 546763262 /nfs/dbraw/zinc/76/32/62/546763262.db2.gz GXSZBARNZJRSAL-DLBZAZTESA-N 3 1 335.561 3.280 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC[NH+](C)CC1 ZINC000126904637 546763268 /nfs/dbraw/zinc/76/32/68/546763268.db2.gz GXSZBARNZJRSAL-DLBZAZTESA-N 3 1 335.561 3.280 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000161636861 546957768 /nfs/dbraw/zinc/95/77/68/546957768.db2.gz SVXRVTPEXGSAGL-CWJKEVGVSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000161636861 546957775 /nfs/dbraw/zinc/95/77/75/546957775.db2.gz SVXRVTPEXGSAGL-CWJKEVGVSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000161636861 546957780 /nfs/dbraw/zinc/95/77/80/546957780.db2.gz SVXRVTPEXGSAGL-CWJKEVGVSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000161636861 546957785 /nfs/dbraw/zinc/95/77/85/546957785.db2.gz SVXRVTPEXGSAGL-CWJKEVGVSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000161636861 546957787 /nfs/dbraw/zinc/95/77/87/546957787.db2.gz SVXRVTPEXGSAGL-CWJKEVGVSA-N 2 1 327.516 3.256 20 0 EGADMP CCc1cccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185660057 547121561 /nfs/dbraw/zinc/12/15/61/547121561.db2.gz ULDGPNJTMQJABX-FUHWJXTLSA-N 2 1 343.515 3.430 20 0 EGADMP CCc1cccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185660057 547121568 /nfs/dbraw/zinc/12/15/68/547121568.db2.gz ULDGPNJTMQJABX-FUHWJXTLSA-N 2 1 343.515 3.430 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CC2 ZINC000279994226 547369124 /nfs/dbraw/zinc/36/91/24/547369124.db2.gz FNGTWDDYNHXCEQ-GOSISDBHSA-N 2 1 330.472 3.298 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000339229357 547571669 /nfs/dbraw/zinc/57/16/69/547571669.db2.gz GZSIJOMAUGUCHW-ICSRJNTNSA-N 2 1 343.515 3.204 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000344767363 547613873 /nfs/dbraw/zinc/61/38/73/547613873.db2.gz HXZTUAHSEKMSMK-JKSUJKDBSA-N 2 1 346.441 3.436 20 0 EGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000371251925 547797003 /nfs/dbraw/zinc/79/70/03/547797003.db2.gz RGCUTCXXFQGUKI-KURKYZTESA-N 2 1 332.488 3.241 20 0 EGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000371251924 547797711 /nfs/dbraw/zinc/79/77/11/547797711.db2.gz RGCUTCXXFQGUKI-FGTMMUONSA-N 2 1 332.488 3.241 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383508327 547821396 /nfs/dbraw/zinc/82/13/96/547821396.db2.gz KQZYVBBTRPMZRS-UEXGIBASSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000383508327 547821400 /nfs/dbraw/zinc/82/14/00/547821400.db2.gz KQZYVBBTRPMZRS-UEXGIBASSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CCC(C(F)(F)F)CC1 ZINC000474805344 547954515 /nfs/dbraw/zinc/95/45/15/547954515.db2.gz CEEWFDQSHOETCT-WLYUNCDWSA-N 2 1 336.442 3.444 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCOC[C@H]2CCOC2)CC1 ZINC000671746829 548351269 /nfs/dbraw/zinc/35/12/69/548351269.db2.gz NLZACVUGURZHMB-MWXLCCTBSA-N 2 1 346.515 3.072 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N(C)C)nc1 ZINC000675743438 548972884 /nfs/dbraw/zinc/97/28/84/548972884.db2.gz KCNSXPPWWOPYNF-PXNSSMCTSA-N 2 1 338.499 3.148 20 0 EGADMP C[C@@H]([NH2+]Cc1cnnn1-c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000676462057 549091083 /nfs/dbraw/zinc/09/10/83/549091083.db2.gz ZQCUIJZCHROKRU-IAGOWNOFSA-N 2 1 339.487 3.010 20 0 EGADMP C[C@@H]([NH2+]Cc1cnnn1-c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000676462057 549091086 /nfs/dbraw/zinc/09/10/86/549091086.db2.gz ZQCUIJZCHROKRU-IAGOWNOFSA-N 2 1 339.487 3.010 20 0 EGADMP Clc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000677237976 549234684 /nfs/dbraw/zinc/23/46/84/549234684.db2.gz SPORKHUWCBIOHI-SUMDDJOVSA-N 2 1 333.907 3.383 20 0 EGADMP CC(C)[N@H+]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000678120654 549400822 /nfs/dbraw/zinc/40/08/22/549400822.db2.gz WTMHNPISYTUZPT-UHFFFAOYSA-N 2 1 345.531 3.077 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678195334 549422320 /nfs/dbraw/zinc/42/23/20/549422320.db2.gz PUZREOVNKKVZPX-UHFFFAOYSA-N 3 1 347.547 3.179 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000678277607 549456357 /nfs/dbraw/zinc/45/63/57/549456357.db2.gz YCJWFABLJDSYTJ-MRXNPFEDSA-N 2 1 340.471 3.003 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000678277607 549456360 /nfs/dbraw/zinc/45/63/60/549456360.db2.gz YCJWFABLJDSYTJ-MRXNPFEDSA-N 2 1 340.471 3.003 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000678286379 549460234 /nfs/dbraw/zinc/46/02/34/549460234.db2.gz SOCZPKQHDYWQTF-DYESRHJHSA-N 2 1 327.516 3.022 20 0 EGADMP C[NH+](C)CCOc1ccc(CN2CC[N@@H+](C)CC23CCCCC3)cc1 ZINC000678296610 549463611 /nfs/dbraw/zinc/46/36/11/549463611.db2.gz BOPNZKNADAZNRI-UHFFFAOYSA-N 2 1 345.531 3.077 20 0 EGADMP CN1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C2(CCCCC2)C1 ZINC000678296610 549463614 /nfs/dbraw/zinc/46/36/14/549463614.db2.gz BOPNZKNADAZNRI-UHFFFAOYSA-N 2 1 345.531 3.077 20 0 EGADMP CN1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C2(CCCCC2)C1 ZINC000678296610 549463615 /nfs/dbraw/zinc/46/36/15/549463615.db2.gz BOPNZKNADAZNRI-UHFFFAOYSA-N 2 1 345.531 3.077 20 0 EGADMP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CCCC[N@@H+]3C)c2)CC1 ZINC000678332499 549470729 /nfs/dbraw/zinc/47/07/29/549470729.db2.gz SPZCIUDFQXAXJC-FQEVSTJZSA-N 2 1 343.515 3.384 20 0 EGADMP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CCCC[N@H+]3C)c2)CC1 ZINC000678332499 549470733 /nfs/dbraw/zinc/47/07/33/549470733.db2.gz SPZCIUDFQXAXJC-FQEVSTJZSA-N 2 1 343.515 3.384 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2OCCc3ccccc32)[C@H](C)C1 ZINC000678585902 549524367 /nfs/dbraw/zinc/52/43/67/549524367.db2.gz PXQMUDIZQRDYMU-JRGCBEDISA-N 2 1 346.515 3.027 20 0 EGADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000678769647 549557354 /nfs/dbraw/zinc/55/73/54/549557354.db2.gz YLLBBDODTZLSMC-DYESRHJHSA-N 2 1 329.532 3.173 20 0 EGADMP CCC1(CC)[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H](C)[C@@H]1OC ZINC000678927412 549597620 /nfs/dbraw/zinc/59/76/20/549597620.db2.gz IXJMVMJGJAGTMY-LULLPPNCSA-N 2 1 338.536 3.059 20 0 EGADMP COC[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000680352259 549854114 /nfs/dbraw/zinc/85/41/14/549854114.db2.gz MUCLSAGUBLXUOX-MHTWAQMVSA-N 2 1 328.500 3.302 20 0 EGADMP FC(F)(F)C1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000680969994 549934867 /nfs/dbraw/zinc/93/48/67/549934867.db2.gz ZEQLDLIVBZZDJZ-XUJLQICISA-N 2 1 334.426 3.341 20 0 EGADMP COC[C@@H]1CCCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000681084641 549952594 /nfs/dbraw/zinc/95/25/94/549952594.db2.gz SMMCVPHPTFVXHH-HXUWFJFHSA-N 2 1 346.515 3.410 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000681237541 549971489 /nfs/dbraw/zinc/97/14/89/549971489.db2.gz JIKPEWGMAUWNAX-SFHVURJKSA-N 2 1 345.531 3.196 20 0 EGADMP CC(C)(C)[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000684145659 550296007 /nfs/dbraw/zinc/29/60/07/550296007.db2.gz NSLGCDMQEAZCED-HXUWFJFHSA-N 2 1 346.515 3.408 20 0 EGADMP CC(C)(C)[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000684145659 550296010 /nfs/dbraw/zinc/29/60/10/550296010.db2.gz NSLGCDMQEAZCED-HXUWFJFHSA-N 2 1 346.515 3.408 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000728572102 574759249 /nfs/dbraw/zinc/75/92/49/574759249.db2.gz RDIQRDYMTMWDES-GOSISDBHSA-N 2 1 326.431 3.050 20 0 EGADMP CC(C)[NH2+][C@H]1CCC[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000731033189 575047735 /nfs/dbraw/zinc/04/77/35/575047735.db2.gz WVWQEMPNSNFSNG-KRWDZBQOSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)[NH2+][C@H]1CCC[N@@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000731033189 575047737 /nfs/dbraw/zinc/04/77/37/575047737.db2.gz WVWQEMPNSNFSNG-KRWDZBQOSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000383323679 576254047 /nfs/dbraw/zinc/25/40/47/576254047.db2.gz BSFDKMLAHFKYHB-QUCCMNQESA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000383323679 576254050 /nfs/dbraw/zinc/25/40/50/576254050.db2.gz BSFDKMLAHFKYHB-QUCCMNQESA-N 2 1 329.532 3.219 20 0 EGADMP COc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1Cl ZINC000742370925 576774826 /nfs/dbraw/zinc/77/48/26/576774826.db2.gz VCEWWCSGOUQPRR-MRXNPFEDSA-N 2 1 338.879 3.082 20 0 EGADMP CC[N@@H+]1CCC[C@H]1C[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695193940 1298157319 /nfs/dbraw/zinc/15/73/19/1298157319.db2.gz UJYFJZJYBTZZHR-KRWDZBQOSA-N 2 1 339.524 3.098 20 0 EGADMP CC[N@H+]1CCC[C@H]1C[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695193940 1298157327 /nfs/dbraw/zinc/15/73/27/1298157327.db2.gz UJYFJZJYBTZZHR-KRWDZBQOSA-N 2 1 339.524 3.098 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000769920978 1303194319 /nfs/dbraw/zinc/19/43/19/1303194319.db2.gz SHBSNUMUGPIWML-SJORKVTESA-N 2 1 339.524 3.144 20 0 EGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCCn1cc[nH+]c1C ZINC000067178264 1292151849 /nfs/dbraw/zinc/15/18/49/1292151849.db2.gz WBRFTADYHGMJCD-UHFFFAOYSA-N 2 1 342.487 3.082 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000072630402 1292283976 /nfs/dbraw/zinc/28/39/76/1292283976.db2.gz QDSZXBHSBFBHHF-UHFFFAOYSA-N 2 1 335.467 3.269 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H]3CN(CC[NH+]4CCCC4)CC[C@@H]32)cc1 ZINC000089910009 1292781147 /nfs/dbraw/zinc/78/11/47/1292781147.db2.gz SNRCKPQJDSHCJM-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000105457394 1293036084 /nfs/dbraw/zinc/03/60/84/1293036084.db2.gz IJWLAGLXKKQIQK-SFHVURJKSA-N 2 1 326.488 3.391 20 0 EGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000105457394 1293036090 /nfs/dbraw/zinc/03/60/90/1293036090.db2.gz IJWLAGLXKKQIQK-SFHVURJKSA-N 2 1 326.488 3.391 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000834911473 1293174186 /nfs/dbraw/zinc/17/41/86/1293174186.db2.gz ZBDTUMXDOGUSGC-OAHLLOKOSA-N 2 1 331.460 3.168 20 0 EGADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)cc(Cl)c1OC ZINC000120784788 1293339166 /nfs/dbraw/zinc/33/91/66/1293339166.db2.gz IRPORRVTILQMJQ-ZDUSSCGKSA-N 2 1 326.868 3.179 20 0 EGADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc(Cl)c1OC ZINC000120784788 1293339175 /nfs/dbraw/zinc/33/91/75/1293339175.db2.gz IRPORRVTILQMJQ-ZDUSSCGKSA-N 2 1 326.868 3.179 20 0 EGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000120804500 1293339605 /nfs/dbraw/zinc/33/96/05/1293339605.db2.gz GGGYZTWSDDAMMQ-KRWDZBQOSA-N 2 1 325.456 3.092 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000120804500 1293339615 /nfs/dbraw/zinc/33/96/15/1293339615.db2.gz GGGYZTWSDDAMMQ-KRWDZBQOSA-N 2 1 325.456 3.092 20 0 EGADMP C[NH+](C)CCOc1cc(C[NH2+]Cc2cc(Cl)ccc2F)ccn1 ZINC000136211614 1293812504 /nfs/dbraw/zinc/81/25/04/1293812504.db2.gz IIHDGLOWTYAODX-UHFFFAOYSA-N 2 1 337.826 3.104 20 0 EGADMP CN(C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1)C(=O)OC(C)(C)C ZINC000161320186 1294289522 /nfs/dbraw/zinc/28/95/22/1294289522.db2.gz PVNACPPJYAPMGS-KRWDZBQOSA-N 2 1 339.524 3.194 20 0 EGADMP CN(C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1)C(=O)OC(C)(C)C ZINC000161320186 1294289526 /nfs/dbraw/zinc/28/95/26/1294289526.db2.gz PVNACPPJYAPMGS-KRWDZBQOSA-N 2 1 339.524 3.194 20 0 EGADMP C[C@H]1C[C@H](N(C)C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000870891680 1296131231 /nfs/dbraw/zinc/13/12/31/1296131231.db2.gz HPHFZXNGLADZOK-IJXRJRJASA-N 2 1 343.515 3.015 20 0 EGADMP c1cc(COc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)ccn1 ZINC000236681916 1296195479 /nfs/dbraw/zinc/19/54/79/1296195479.db2.gz RAVOKBSNRLJOJH-RTWAWAEBSA-N 2 1 337.467 3.377 20 0 EGADMP c1cc(COc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)cc2)ccn1 ZINC000236681916 1296195485 /nfs/dbraw/zinc/19/54/85/1296195485.db2.gz RAVOKBSNRLJOJH-RTWAWAEBSA-N 2 1 337.467 3.377 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000237677152 1296256638 /nfs/dbraw/zinc/25/66/38/1296256638.db2.gz CFDIREJCBYJDQM-IAGOWNOFSA-N 2 1 339.524 3.240 20 0 EGADMP FC(F)(F)COc1cccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000237703195 1296259221 /nfs/dbraw/zinc/25/92/21/1296259221.db2.gz SIBDJXPMLBESOV-HOTGVXAUSA-N 2 1 328.378 3.344 20 0 EGADMP FC(F)(F)COc1cccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)c1 ZINC000237703195 1296259230 /nfs/dbraw/zinc/25/92/30/1296259230.db2.gz SIBDJXPMLBESOV-HOTGVXAUSA-N 2 1 328.378 3.344 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000248147862 1296406407 /nfs/dbraw/zinc/40/64/07/1296406407.db2.gz FPPNPBXZDUJIST-DLBZAZTESA-N 2 1 335.492 3.043 20 0 EGADMP c1ccc(C[NH+]2CCC(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000261538134 1296594524 /nfs/dbraw/zinc/59/45/24/1296594524.db2.gz FLMVYEGTOHRYBY-NJDAHSKKSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000261538112 1296594660 /nfs/dbraw/zinc/59/46/60/1296594660.db2.gz DBDITEGQVUEKTA-XSDIEEQYSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000261538112 1296594672 /nfs/dbraw/zinc/59/46/72/1296594672.db2.gz DBDITEGQVUEKTA-XSDIEEQYSA-N 2 1 327.516 3.161 20 0 EGADMP c1cc(COc2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2)ccn1 ZINC000261967267 1296613049 /nfs/dbraw/zinc/61/30/49/1296613049.db2.gz HXECVNIKALLCFE-UHFFFAOYSA-N 2 1 337.467 3.236 20 0 EGADMP CC1(C)CCc2onc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2C1 ZINC000872143831 1296765005 /nfs/dbraw/zinc/76/50/05/1296765005.db2.gz XWDDZLAGFYRDEC-JKSUJKDBSA-N 2 1 331.504 3.401 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000301962845 1296796247 /nfs/dbraw/zinc/79/62/47/1296796247.db2.gz PJCSGZDOROVGJZ-ZACQAIPSSA-N 2 1 339.524 3.144 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000872302106 1296905344 /nfs/dbraw/zinc/90/53/44/1296905344.db2.gz OTAYCQRFNFRSKZ-RLLQIKCJSA-N 2 1 349.563 3.397 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000305147414 1296987146 /nfs/dbraw/zinc/98/71/46/1296987146.db2.gz KJLJBNUFSWBMCE-YESZJQIVSA-N 2 1 341.540 3.484 20 0 EGADMP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1 ZINC000305318866 1297010171 /nfs/dbraw/zinc/01/01/71/1297010171.db2.gz KXGYASXPWNMTTQ-HRCADAONSA-N 2 1 329.271 3.243 20 0 EGADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1 ZINC000305318866 1297010184 /nfs/dbraw/zinc/01/01/84/1297010184.db2.gz KXGYASXPWNMTTQ-HRCADAONSA-N 2 1 329.271 3.243 20 0 EGADMP CC(C)[NH+](CC[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C(C)C ZINC000309909229 1297077362 /nfs/dbraw/zinc/07/73/62/1297077362.db2.gz TVZWGHQXRXAMQC-SJORKVTESA-N 2 1 341.540 3.388 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2n2cncn2)c1 ZINC000340476874 1297314652 /nfs/dbraw/zinc/31/46/52/1297314652.db2.gz IPHTWASUMLPMAW-NSISKUIASA-N 2 1 341.503 3.249 20 0 EGADMP C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200368 1297345308 /nfs/dbraw/zinc/34/53/08/1297345308.db2.gz FUTAHZWRDLPKBE-UHFFFAOYSA-N 2 1 338.480 3.212 20 0 EGADMP C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200368 1297345322 /nfs/dbraw/zinc/34/53/22/1297345322.db2.gz FUTAHZWRDLPKBE-UHFFFAOYSA-N 2 1 338.480 3.212 20 0 EGADMP C[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H](c2ccc(F)cc2)O1 ZINC000873205605 1297350363 /nfs/dbraw/zinc/35/03/63/1297350363.db2.gz PNEHJHWRDSODFX-SCLBCKFNSA-N 2 1 346.471 3.495 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H](c2ccc(F)cc2)O1 ZINC000873205605 1297350376 /nfs/dbraw/zinc/35/03/76/1297350376.db2.gz PNEHJHWRDSODFX-SCLBCKFNSA-N 2 1 346.471 3.495 20 0 EGADMP COc1ccc([C@H]2CC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)cc1 ZINC000873204315 1297351169 /nfs/dbraw/zinc/35/11/69/1297351169.db2.gz BJWKRGANHBUBCJ-HNNXBMFYSA-N 2 1 328.481 3.392 20 0 EGADMP Clc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc2c1OCCCO2 ZINC000378966105 1297530970 /nfs/dbraw/zinc/53/09/70/1297530970.db2.gz ZZFRMAPSEHKDKE-ZDUSSCGKSA-N 2 1 336.863 3.075 20 0 EGADMP C[C@H](CC[NH2+][C@H]1CCOC2(CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000379637662 1297534501 /nfs/dbraw/zinc/53/45/01/1297534501.db2.gz SXIPTHOKEBULOX-QUCCMNQESA-N 2 1 346.515 3.215 20 0 EGADMP C[C@H](CC[NH2+][C@@H]1CCOC2(CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000379637664 1297534798 /nfs/dbraw/zinc/53/47/98/1297534798.db2.gz SXIPTHOKEBULOX-UYAOXDASSA-N 2 1 346.515 3.215 20 0 EGADMP C[C@]1(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCC[NH2+]C1 ZINC000392235891 1297654040 /nfs/dbraw/zinc/65/40/40/1297654040.db2.gz ZQGCJVAKRHMNBR-KRWDZBQOSA-N 2 1 341.421 3.217 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400559339 1297731029 /nfs/dbraw/zinc/73/10/29/1297731029.db2.gz HIUQLNUCYYRZKF-BZUAXINKSA-N 2 1 327.513 3.093 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400559339 1297731039 /nfs/dbraw/zinc/73/10/39/1297731039.db2.gz HIUQLNUCYYRZKF-BZUAXINKSA-N 2 1 327.513 3.093 20 0 EGADMP CCCC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000404518637 1297754933 /nfs/dbraw/zinc/75/49/33/1297754933.db2.gz URAHURMOWARMEL-BMFAXAFESA-N 2 1 331.504 3.014 20 0 EGADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCCC[NH3+] ZINC000404513038 1297755880 /nfs/dbraw/zinc/75/58/80/1297755880.db2.gz QTBPAWGBZRVFCB-RCCFBDPRSA-N 2 1 331.504 3.015 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc2c1OCC2 ZINC000708539954 1298241995 /nfs/dbraw/zinc/24/19/95/1298241995.db2.gz FARFQAVZIKOVQE-LAUBAEHRSA-N 2 1 336.479 3.479 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc2c1OCC2 ZINC000708539954 1298242006 /nfs/dbraw/zinc/24/20/06/1298242006.db2.gz FARFQAVZIKOVQE-LAUBAEHRSA-N 2 1 336.479 3.479 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000709648338 1298249772 /nfs/dbraw/zinc/24/97/72/1298249772.db2.gz ZRJRWHNHXGVFAQ-VAMGGRTRSA-N 2 1 343.515 3.065 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000711105439 1298260291 /nfs/dbraw/zinc/26/02/91/1298260291.db2.gz HNNVRHDLMOFVKO-JEIKXUOUSA-N 2 1 343.515 3.014 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+][C@H](C3CCC3)[C@@H]3CCOC3)CC2)cc1 ZINC000711888326 1298261337 /nfs/dbraw/zinc/26/13/37/1298261337.db2.gz OHPPIGUIQJSCII-TZIWHRDSSA-N 2 1 328.500 3.446 20 0 EGADMP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000717501618 1298302971 /nfs/dbraw/zinc/30/29/71/1298302971.db2.gz FTSIYBOWPZCWSB-FXAWDEMLSA-N 2 1 345.531 3.121 20 0 EGADMP C[C@H]1C[C@@H](NCc2ccc(Cl)nn2)CC[N@H+]1Cc1ccccc1 ZINC000877076202 1299147162 /nfs/dbraw/zinc/14/71/62/1299147162.db2.gz NVIUZMGWGMZCFH-HOCLYGCPSA-N 2 1 330.863 3.273 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877452994 1299311854 /nfs/dbraw/zinc/31/18/54/1299311854.db2.gz UYFWGQIWMBNCKR-ZMMAXQRCSA-N 2 1 335.536 3.005 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC[C@@H]21 ZINC000877743627 1299520482 /nfs/dbraw/zinc/52/04/82/1299520482.db2.gz LMLOZMQZFRPYPS-ZBFHGGJFSA-N 2 1 328.378 3.154 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC[C@@H]21 ZINC000877743627 1299520487 /nfs/dbraw/zinc/52/04/87/1299520487.db2.gz LMLOZMQZFRPYPS-ZBFHGGJFSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3)CC[C@@H]21 ZINC000877743627 1299520495 /nfs/dbraw/zinc/52/04/95/1299520495.db2.gz LMLOZMQZFRPYPS-ZBFHGGJFSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)CC[C@@H]21 ZINC000877743627 1299520502 /nfs/dbraw/zinc/52/05/02/1299520502.db2.gz LMLOZMQZFRPYPS-ZBFHGGJFSA-N 2 1 328.378 3.154 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CCCC4CC4)CC3)C2)cc1 ZINC000878605545 1300103272 /nfs/dbraw/zinc/10/32/72/1300103272.db2.gz BJVXJNBAZGUGJZ-NRFANRHFSA-N 2 1 327.516 3.069 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000755038885 1300272513 /nfs/dbraw/zinc/27/25/13/1300272513.db2.gz FAMJQYCUKOKCCZ-MRXNPFEDSA-N 2 1 327.513 3.050 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000755038885 1300272521 /nfs/dbraw/zinc/27/25/21/1300272521.db2.gz FAMJQYCUKOKCCZ-MRXNPFEDSA-N 2 1 327.513 3.050 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@@H]21 ZINC000879568886 1300607433 /nfs/dbraw/zinc/60/74/33/1300607433.db2.gz FICZXNNFGCNVES-CTNGQTDRSA-N 2 1 349.478 3.465 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@@H]21 ZINC000879568886 1300607440 /nfs/dbraw/zinc/60/74/40/1300607440.db2.gz FICZXNNFGCNVES-CTNGQTDRSA-N 2 1 349.478 3.465 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@@H]21 ZINC000879568886 1300607447 /nfs/dbraw/zinc/60/74/47/1300607447.db2.gz FICZXNNFGCNVES-CTNGQTDRSA-N 2 1 349.478 3.465 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@@H]21 ZINC000879568886 1300607455 /nfs/dbraw/zinc/60/74/55/1300607455.db2.gz FICZXNNFGCNVES-CTNGQTDRSA-N 2 1 349.478 3.465 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@@H]21 ZINC000879568886 1300607462 /nfs/dbraw/zinc/60/74/62/1300607462.db2.gz FICZXNNFGCNVES-CTNGQTDRSA-N 2 1 349.478 3.465 20 0 EGADMP COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000765630827 1302292861 /nfs/dbraw/zinc/29/28/61/1302292861.db2.gz ODUZOGIBMGBTCP-YOEHRIQHSA-N 2 1 342.443 3.062 20 0 EGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC000765972587 1302359604 /nfs/dbraw/zinc/35/96/04/1302359604.db2.gz BETWCLYGDKLJKM-FPOVZHCZSA-N 2 1 344.499 3.306 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc2c(c1)CCO2 ZINC000765974410 1302360138 /nfs/dbraw/zinc/36/01/38/1302360138.db2.gz HAIYXAFTUQZKBI-WOJBJXKFSA-N 2 1 344.499 3.306 20 0 EGADMP C[C@H](CSC(C)(C)C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000766134662 1302397317 /nfs/dbraw/zinc/39/73/17/1302397317.db2.gz GNUNWSFMGTWFAW-VQIMIIECSA-N 2 1 336.545 3.133 20 0 EGADMP C[C@H](CSC(C)(C)C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000766134662 1302397328 /nfs/dbraw/zinc/39/73/28/1302397328.db2.gz GNUNWSFMGTWFAW-VQIMIIECSA-N 2 1 336.545 3.133 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883435407 1302443814 /nfs/dbraw/zinc/44/38/14/1302443814.db2.gz SDOJJGAHFSICHE-SYAJIYQZSA-N 2 1 344.499 3.268 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000883572836 1302507569 /nfs/dbraw/zinc/50/75/69/1302507569.db2.gz PMMKTJSXYAXUHD-INIZCTEOSA-N 2 1 338.455 3.056 20 0 EGADMP [NH3+][C@H](C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1ccccc1C(F)(F)F ZINC000884451282 1302863659 /nfs/dbraw/zinc/86/36/59/1302863659.db2.gz KHQYBLVPMNXIRP-IMJJTQAJSA-N 2 1 349.356 3.159 20 0 EGADMP C[C@@H]1COCC[NH+]1CCCCCCCCC[N@@H+]1CCOC[C@H]1C ZINC000769914420 1303192021 /nfs/dbraw/zinc/19/20/21/1303192021.db2.gz ZQRAOGAQQRAUSO-RTBURBONSA-N 2 1 326.525 3.159 20 0 EGADMP CCCCCCOc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000770394234 1303261521 /nfs/dbraw/zinc/26/15/21/1303261521.db2.gz GIYNDBYYZSYKRJ-QZTJIDSGSA-N 2 1 332.488 3.306 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000885937767 1303286448 /nfs/dbraw/zinc/28/64/48/1303286448.db2.gz JOMVPMHTEYLNFR-FGTMMUONSA-N 2 1 338.536 3.061 20 0 EGADMP C[NH+](Cc1ccns1)[C@H]1CC[C@H]([N@@H+](C)Cc2ccns2)CC1 ZINC000886389356 1303453938 /nfs/dbraw/zinc/45/39/38/1303453938.db2.gz GTSCBOJZPSDIQQ-HDJSIYSDSA-N 2 1 336.530 3.475 20 0 EGADMP COC(=O)c1ccc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)s1 ZINC000886664263 1303545031 /nfs/dbraw/zinc/54/50/31/1303545031.db2.gz HPLUDSRYAMHUSK-UHFFFAOYSA-N 2 1 333.457 3.254 20 0 EGADMP COC(=O)c1ccc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cc1 ZINC000886672286 1303551767 /nfs/dbraw/zinc/55/17/67/1303551767.db2.gz LSDQYCYQLDGHDE-UHFFFAOYSA-N 2 1 327.428 3.193 20 0 EGADMP CC[N@H+](CC[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C)C(C)C ZINC000772874277 1303587566 /nfs/dbraw/zinc/58/75/66/1303587566.db2.gz AFUYSWXNCWMCQZ-IAGOWNOFSA-N 2 1 341.540 3.484 20 0 EGADMP CC[N@@H+](CC[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C)C(C)C ZINC000772874277 1303587572 /nfs/dbraw/zinc/58/75/72/1303587572.db2.gz AFUYSWXNCWMCQZ-IAGOWNOFSA-N 2 1 341.540 3.484 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H](O)c1c(F)cccc1Cl ZINC000773030199 1303611544 /nfs/dbraw/zinc/61/15/44/1303611544.db2.gz LWRJNGWOYOGMGJ-PFHKOEEOSA-N 2 1 326.843 3.117 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H](O)c1c(F)cccc1Cl ZINC000773030199 1303611548 /nfs/dbraw/zinc/61/15/48/1303611548.db2.gz LWRJNGWOYOGMGJ-PFHKOEEOSA-N 2 1 326.843 3.117 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCC2OCCCO2)CC1)CC(C)C ZINC000773733403 1303730944 /nfs/dbraw/zinc/73/09/44/1303730944.db2.gz JERDPJLAFCPXFO-UHFFFAOYSA-N 2 1 326.525 3.220 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(N(C)C)c1 ZINC000775687150 1304015851 /nfs/dbraw/zinc/01/58/51/1304015851.db2.gz OJKBYADOCNDLNA-PXNSSMCTSA-N 2 1 338.499 3.148 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(N(C)C)c1 ZINC000775687151 1304015987 /nfs/dbraw/zinc/01/59/87/1304015987.db2.gz OJKBYADOCNDLNA-XLIONFOSSA-N 2 1 338.499 3.148 20 0 EGADMP CC/C(C)=C(\C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000780960691 1304755570 /nfs/dbraw/zinc/75/55/70/1304755570.db2.gz NXYXYHFMPVJOSE-ISLYRVAYSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCCC[N@H+](C)CC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000781173115 1304784344 /nfs/dbraw/zinc/78/43/44/1304784344.db2.gz KLAYIZZPMGPNOR-UHFFFAOYSA-N 2 1 346.519 3.119 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000781173115 1304784349 /nfs/dbraw/zinc/78/43/49/1304784349.db2.gz KLAYIZZPMGPNOR-UHFFFAOYSA-N 2 1 346.519 3.119 20 0 EGADMP CCc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH]n1 ZINC000781422958 1304826539 /nfs/dbraw/zinc/82/65/39/1304826539.db2.gz NVFOZCCUWBVPKI-DUXKGJEZSA-N 2 1 338.499 3.362 20 0 EGADMP C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC1CC[NH+](C)CC1 ZINC000891779381 1305162853 /nfs/dbraw/zinc/16/28/53/1305162853.db2.gz JTXIQUUERKTSQH-UHFFFAOYSA-N 2 1 344.478 3.422 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc1 ZINC000892737831 1305529672 /nfs/dbraw/zinc/52/96/72/1305529672.db2.gz LXRZMIAWXWQMAG-HNNXBMFYSA-N 2 1 331.485 3.154 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc1 ZINC000892737831 1305529679 /nfs/dbraw/zinc/52/96/79/1305529679.db2.gz LXRZMIAWXWQMAG-HNNXBMFYSA-N 2 1 331.485 3.154 20 0 EGADMP CC[N@H+](CC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1)C(C)C ZINC000790469115 1306332416 /nfs/dbraw/zinc/33/24/16/1306332416.db2.gz MUSWWMWTDVSKSM-UHFFFAOYSA-N 2 1 347.503 3.108 20 0 EGADMP CC[N@@H+](CC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1)C(C)C ZINC000790469115 1306332422 /nfs/dbraw/zinc/33/24/22/1306332422.db2.gz MUSWWMWTDVSKSM-UHFFFAOYSA-N 2 1 347.503 3.108 20 0 EGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCC(=O)N2C ZINC000895378561 1309306908 /nfs/dbraw/zinc/30/69/08/1309306908.db2.gz QZQMGIRLNJSSEQ-QFBILLFUSA-N 2 1 343.515 3.148 20 0 EGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793527024 1309395341 /nfs/dbraw/zinc/39/53/41/1309395341.db2.gz NQPNHBJBGPLTKA-HKUYNNGSSA-N 2 1 326.488 3.291 20 0 EGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793527024 1309395349 /nfs/dbraw/zinc/39/53/49/1309395349.db2.gz NQPNHBJBGPLTKA-HKUYNNGSSA-N 2 1 326.488 3.291 20 0 EGADMP CCn1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)n1 ZINC000895693448 1309469455 /nfs/dbraw/zinc/46/94/55/1309469455.db2.gz CQKBJIQMIPBIEF-VQIMIIECSA-N 2 1 326.488 3.069 20 0 EGADMP C[NH+]1CCC2(CCC[N@H+](Cc3cccc(Br)n3)C2)CC1 ZINC000794534307 1309543325 /nfs/dbraw/zinc/54/33/25/1309543325.db2.gz YJPQDNWKMQGLKB-UHFFFAOYSA-N 2 1 338.293 3.152 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccc(Br)n3)C2)CC1 ZINC000794534307 1309543329 /nfs/dbraw/zinc/54/33/29/1309543329.db2.gz YJPQDNWKMQGLKB-UHFFFAOYSA-N 2 1 338.293 3.152 20 0 EGADMP c1ccc(CSCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000797600494 1310219342 /nfs/dbraw/zinc/21/93/42/1310219342.db2.gz WOVLUWCJJKHPKV-LJQANCHMSA-N 2 1 334.529 3.153 20 0 EGADMP OCC[N@H+]1CCC[C@H]2[C@H]1CCN2c1ccnc2cc(F)c(Cl)cc21 ZINC000897218712 1310225910 /nfs/dbraw/zinc/22/59/10/1310225910.db2.gz FVSNVAKOMPXENI-MSOLQXFVSA-N 2 1 349.837 3.063 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000799014245 1310469533 /nfs/dbraw/zinc/46/95/33/1310469533.db2.gz FGXAAXNIKLNBGR-DYESRHJHSA-N 2 1 345.531 3.182 20 0 EGADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NCC[NH+]3CCCC3(C)C)c2)C1 ZINC000857282397 1328526114 /nfs/dbraw/zinc/52/61/14/1328526114.db2.gz BZMMTDDBKNQCAN-LJQANCHMSA-N 2 1 343.515 3.100 20 0 EGADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)NCC[N@@H+]3CCCC3(C)C)c2)C1 ZINC000857282397 1328526116 /nfs/dbraw/zinc/52/61/16/1328526116.db2.gz BZMMTDDBKNQCAN-LJQANCHMSA-N 2 1 343.515 3.100 20 0 EGADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)NCC[N@H+]3CCCC3(C)C)c2)C1 ZINC000857282397 1328526117 /nfs/dbraw/zinc/52/61/17/1328526117.db2.gz BZMMTDDBKNQCAN-LJQANCHMSA-N 2 1 343.515 3.100 20 0 EGADMP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCCc4c[nH]nc43)cc2)CC1 ZINC000857867633 1328609024 /nfs/dbraw/zinc/60/90/24/1328609024.db2.gz ZANPCPHWGOVIDL-LJQANCHMSA-N 2 1 340.471 3.050 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001019068667 1317032440 /nfs/dbraw/zinc/03/24/40/1317032440.db2.gz GEUBRHJOILWYIV-INIZCTEOSA-N 2 1 349.544 3.092 20 0 EGADMP C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000805772920 1317422626 /nfs/dbraw/zinc/42/26/26/1317422626.db2.gz PTIDGZZHGUUQIC-GDBMZVCRSA-N 2 1 344.421 3.025 20 0 EGADMP C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000805772920 1317422629 /nfs/dbraw/zinc/42/26/29/1317422629.db2.gz PTIDGZZHGUUQIC-GDBMZVCRSA-N 2 1 344.421 3.025 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC2(CC1)CC[NH+](C(C)C)CC2 ZINC000957559142 1317456307 /nfs/dbraw/zinc/45/63/07/1317456307.db2.gz DAUFLZBDOWCJRZ-LJQANCHMSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957644783 1317516703 /nfs/dbraw/zinc/51/67/03/1317516703.db2.gz HVAZFXAUUWRVAT-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001020144185 1317559284 /nfs/dbraw/zinc/55/92/84/1317559284.db2.gz TYIRPINWKSJXRK-GUDVDZBRSA-N 2 1 349.563 3.312 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020144196 1317559776 /nfs/dbraw/zinc/55/97/76/1317559776.db2.gz UMMOVNAWDRHVPN-FHWLQOOXSA-N 2 1 335.536 3.066 20 0 EGADMP CC[NH+](CC)CC1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC000957726811 1317593969 /nfs/dbraw/zinc/59/39/69/1317593969.db2.gz ZPXGIMBNUKCKSP-UHFFFAOYSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001020214565 1317596113 /nfs/dbraw/zinc/59/61/13/1317596113.db2.gz XBTHJRUZOUJWEE-GUDVDZBRSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020238776 1317603900 /nfs/dbraw/zinc/60/39/00/1317603900.db2.gz CATVNTDSSXTVLP-VAMGGRTRSA-N 2 1 349.563 3.457 20 0 EGADMP COC(=O)c1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(C)c1 ZINC000902791344 1317616565 /nfs/dbraw/zinc/61/65/65/1317616565.db2.gz UQRPVXDYGKDTQP-HIFRSBDPSA-N 2 1 329.444 3.273 20 0 EGADMP CC[N@@H+](CC1CC(C)C1)CC1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000957753520 1317621980 /nfs/dbraw/zinc/62/19/80/1317621980.db2.gz UEMYDHUJQHKTCR-QPIRBTGLSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC1CC(C)C1)CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000957753520 1317621986 /nfs/dbraw/zinc/62/19/86/1317621986.db2.gz UEMYDHUJQHKTCR-QPIRBTGLSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC1CC(C)C1)CC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000957753520 1317621989 /nfs/dbraw/zinc/62/19/89/1317621989.db2.gz UEMYDHUJQHKTCR-QPIRBTGLSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1)C(C)C ZINC000957759860 1317625066 /nfs/dbraw/zinc/62/50/66/1317625066.db2.gz FLVIJXRWMOOVON-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CN2CC(C)(C)CC2=O)CC1 ZINC000808154453 1317632780 /nfs/dbraw/zinc/63/27/80/1317632780.db2.gz SACBQXNPDYDCSF-UHFFFAOYSA-N 2 1 343.515 3.046 20 0 EGADMP CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000902948064 1317633472 /nfs/dbraw/zinc/63/34/72/1317633472.db2.gz OVWBUDQDRBCXIG-PCCBWWKXSA-N 2 1 346.515 3.081 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(C)c1 ZINC000903116009 1317656324 /nfs/dbraw/zinc/65/63/24/1317656324.db2.gz PVULJSQJRLDHIW-SHQCPXRQSA-N 2 1 346.515 3.134 20 0 EGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c(C)c1 ZINC000903120998 1317656826 /nfs/dbraw/zinc/65/68/26/1317656826.db2.gz ZHMUIZMNYCVBHV-MYGYKHERSA-N 2 1 330.516 3.434 20 0 EGADMP COCCCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903128384 1317659610 /nfs/dbraw/zinc/65/96/10/1317659610.db2.gz XNNRYPPLWUTJSD-CTXDPNEZSA-N 2 1 344.499 3.349 20 0 EGADMP c1ccc(CC[C@@H]2CCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903723569 1317724406 /nfs/dbraw/zinc/72/44/06/1317724406.db2.gz IOXPFQMVYJGECJ-VQTJNVASSA-N 2 1 328.500 3.242 20 0 EGADMP c1ccc2c(c1)CC[C@H]2[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903722748 1317724460 /nfs/dbraw/zinc/72/44/60/1317724460.db2.gz OKWIKWXFHQRYPU-AZUAARDMSA-N 2 1 326.484 3.297 20 0 EGADMP c1ccc(SC[C@@H]2CC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903733946 1317726707 /nfs/dbraw/zinc/72/67/07/1317726707.db2.gz NCAYHGFWDHJGDX-QZTJIDSGSA-N 2 1 346.540 3.259 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001020499930 1317731057 /nfs/dbraw/zinc/73/10/57/1317731057.db2.gz INXQJHJYFMCZJX-VAMGGRTRSA-N 2 1 349.563 3.316 20 0 EGADMP FC(F)(F)[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)O1 ZINC000903769196 1317731297 /nfs/dbraw/zinc/73/12/97/1317731297.db2.gz ZMNJLAPXTGXFRK-OAGGEKHMSA-N 2 1 334.426 3.198 20 0 EGADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2noc(-c3ccccc3)n2)CC1 ZINC000903794383 1317736638 /nfs/dbraw/zinc/73/66/38/1317736638.db2.gz SUEFNNHFXOIFRE-UHFFFAOYSA-N 2 1 348.450 3.229 20 0 EGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@H]2CCC[C@@H](C(F)(F)F)O2)CCC1 ZINC000903811854 1317737072 /nfs/dbraw/zinc/73/70/72/1317737072.db2.gz OSTRCVWGUHLUIY-ILXRZTDVSA-N 2 1 334.426 3.470 20 0 EGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2F)CCC1 ZINC000903816326 1317738010 /nfs/dbraw/zinc/73/80/10/1317738010.db2.gz YEFOIWWXONCHLD-QGZVFWFLSA-N 2 1 333.451 3.138 20 0 EGADMP [NH3+][C@H](C[NH2+]C1(c2ccc(Br)cc2)CCC1)CC(F)F ZINC000903896907 1317744908 /nfs/dbraw/zinc/74/49/08/1317744908.db2.gz BDWTUNGYPCFNIE-LBPRGKRZSA-N 2 1 333.220 3.400 20 0 EGADMP c1ccc(C[C@@H]2CC[C@@H]([NH2+][C@@H]3C[NH2+]CC4(CCOCC4)C3)C2)cc1 ZINC000903970315 1317758523 /nfs/dbraw/zinc/75/85/23/1317758523.db2.gz UXCVGFLQSCXHRV-ZCNNSNEGSA-N 2 1 328.500 3.146 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1-c1noc([C@H]([NH3+])CC2CC2)n1 ZINC000904100375 1317789391 /nfs/dbraw/zinc/78/93/91/1317789391.db2.gz DEGLTTHZDAZPRV-MRXNPFEDSA-N 2 1 344.459 3.257 20 0 EGADMP CC(C)c1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001020587560 1317791786 /nfs/dbraw/zinc/79/17/86/1317791786.db2.gz LAADSQJATRMREJ-BHIYHBOVSA-N 2 1 343.515 3.031 20 0 EGADMP C[NH+](C)CC1CC[NH+](Cc2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000809545125 1317828819 /nfs/dbraw/zinc/82/88/19/1317828819.db2.gz ICUSLAWXRQMJQI-UHFFFAOYSA-N 2 1 341.286 3.415 20 0 EGADMP C[N@@H+](Cc1c(Cl)nc2cc(Cl)ccn21)CC1CC[NH+](C)CC1 ZINC000809566074 1317833495 /nfs/dbraw/zinc/83/34/95/1317833495.db2.gz FYCPVZUBFTZNHH-UHFFFAOYSA-N 2 1 341.286 3.415 20 0 EGADMP C[N@H+](Cc1c(Cl)nc2cc(Cl)ccn21)CC1CC[NH+](C)CC1 ZINC000809566074 1317833504 /nfs/dbraw/zinc/83/35/04/1317833504.db2.gz FYCPVZUBFTZNHH-UHFFFAOYSA-N 2 1 341.286 3.415 20 0 EGADMP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000904363715 1317836561 /nfs/dbraw/zinc/83/65/61/1317836561.db2.gz BKEOJSGRGMDDGV-GOSISDBHSA-N 2 1 331.504 3.052 20 0 EGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000904404697 1317842974 /nfs/dbraw/zinc/84/29/74/1317842974.db2.gz CXLXDGLOWOLSIZ-RHSMWYFYSA-N 2 1 338.879 3.069 20 0 EGADMP C[C@@H](O)c1ncc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000809605525 1317843093 /nfs/dbraw/zinc/84/30/93/1317843093.db2.gz DHDKWJKALMECDG-QLFBSQMISA-N 2 1 325.522 3.044 20 0 EGADMP Cc1c(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)sc2nc(C)nc(C)c12 ZINC000809765079 1317893293 /nfs/dbraw/zinc/89/32/93/1317893293.db2.gz KUASNCDWQHLVCQ-NHYWBVRUSA-N 2 1 332.517 3.389 20 0 EGADMP Cc1c(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)sc2nc(C)nc(C)c12 ZINC000809765079 1317893300 /nfs/dbraw/zinc/89/33/00/1317893300.db2.gz KUASNCDWQHLVCQ-NHYWBVRUSA-N 2 1 332.517 3.389 20 0 EGADMP Cc1c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)sc2nc(C)nc(C)c12 ZINC000809765079 1317893308 /nfs/dbraw/zinc/89/33/08/1317893308.db2.gz KUASNCDWQHLVCQ-NHYWBVRUSA-N 2 1 332.517 3.389 20 0 EGADMP Cc1c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)sc2nc(C)nc(C)c12 ZINC000809765079 1317893313 /nfs/dbraw/zinc/89/33/13/1317893313.db2.gz KUASNCDWQHLVCQ-NHYWBVRUSA-N 2 1 332.517 3.389 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCCC2)CC[N@H+]1C ZINC001021262461 1318162739 /nfs/dbraw/zinc/16/27/39/1318162739.db2.gz NWBDBGSKFQEZNQ-OLPBJYBYSA-N 2 1 347.547 3.019 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCCC2)CC[NH+]1C ZINC001021262461 1318162744 /nfs/dbraw/zinc/16/27/44/1318162744.db2.gz NWBDBGSKFQEZNQ-OLPBJYBYSA-N 2 1 347.547 3.019 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCC2)CC[NH+]1C ZINC001021262461 1318162750 /nfs/dbraw/zinc/16/27/50/1318162750.db2.gz NWBDBGSKFQEZNQ-OLPBJYBYSA-N 2 1 347.547 3.019 20 0 EGADMP CN(C)Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)cc1Cl ZINC000907907343 1318278231 /nfs/dbraw/zinc/27/82/31/1318278231.db2.gz BKNHWWNFHZCCAD-RDJZCZTQSA-N 2 1 335.879 3.357 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cc1Cl ZINC000907907343 1318278237 /nfs/dbraw/zinc/27/82/37/1318278237.db2.gz BKNHWWNFHZCCAD-RDJZCZTQSA-N 2 1 335.879 3.357 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)cc1Cl ZINC000907907343 1318278246 /nfs/dbraw/zinc/27/82/46/1318278246.db2.gz BKNHWWNFHZCCAD-RDJZCZTQSA-N 2 1 335.879 3.357 20 0 EGADMP Oc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000812720036 1318445387 /nfs/dbraw/zinc/44/53/87/1318445387.db2.gz XZLJDVIMKTXMLI-VQIMIIECSA-N 2 1 330.472 3.003 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021624870 1318474876 /nfs/dbraw/zinc/47/48/76/1318474876.db2.gz ZSKMHQSSTHIWIU-MJGOQNOKSA-N 2 1 340.471 3.061 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000813325785 1318533680 /nfs/dbraw/zinc/53/36/80/1318533680.db2.gz KQPNVFGLZMLDIZ-YLJYHZDGSA-N 2 1 326.488 3.224 20 0 EGADMP C[C@H](Cn1cccn1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813881944 1318650005 /nfs/dbraw/zinc/65/00/05/1318650005.db2.gz XTBXADFDKMPYNO-LBFURVHYSA-N 2 1 338.499 3.447 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH+](C)CC2CCCCCC2)CC[N@H+]1C ZINC000960639940 1318758759 /nfs/dbraw/zinc/75/87/59/1318758759.db2.gz DTESZUVKYQGFRA-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[N@H+](C)CC2CCCCCC2)CC[NH+]1C ZINC000960639940 1318758768 /nfs/dbraw/zinc/75/87/68/1318758768.db2.gz DTESZUVKYQGFRA-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCCCCC2)CC[NH+]1C ZINC000960639940 1318758778 /nfs/dbraw/zinc/75/87/78/1318758778.db2.gz DTESZUVKYQGFRA-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1c(C)cccc1C)[NH+](C)C ZINC000960718649 1318826325 /nfs/dbraw/zinc/82/63/25/1318826325.db2.gz PRPZJOFZYUACOU-UYAOXDASSA-N 2 1 345.531 3.066 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001022290152 1318880548 /nfs/dbraw/zinc/88/05/48/1318880548.db2.gz HBWJHZAXIJCZJQ-RUGDWHBFSA-N 2 1 349.906 3.122 20 0 EGADMP CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cc1 ZINC001022293936 1318880645 /nfs/dbraw/zinc/88/06/45/1318880645.db2.gz XNKIRCMITLDUKY-ZCNNSNEGSA-N 2 1 343.515 3.031 20 0 EGADMP CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)cc1 ZINC001022293935 1318880734 /nfs/dbraw/zinc/88/07/34/1318880734.db2.gz XNKIRCMITLDUKY-HSALFYBXSA-N 2 1 343.515 3.031 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001022290154 1318881652 /nfs/dbraw/zinc/88/16/52/1318881652.db2.gz HBWJHZAXIJCZJQ-ZSGPHXLJSA-N 2 1 349.906 3.122 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000960827486 1318954056 /nfs/dbraw/zinc/95/40/56/1318954056.db2.gz ZSPDXPGRLUVQPL-PXNSSMCTSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001022795096 1319113836 /nfs/dbraw/zinc/11/38/36/1319113836.db2.gz KSOWXJHFEJQVAV-HDICACEKSA-N 2 1 344.503 3.134 20 0 EGADMP CSCc1cnc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000816598805 1319192108 /nfs/dbraw/zinc/19/21/08/1319192108.db2.gz QOIVGLAXMBCKNA-UHFFFAOYSA-N 2 1 325.547 3.314 20 0 EGADMP CSCc1cnc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000816598805 1319192112 /nfs/dbraw/zinc/19/21/12/1319192112.db2.gz QOIVGLAXMBCKNA-UHFFFAOYSA-N 2 1 325.547 3.314 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)c2ccccc21 ZINC000817890410 1319451258 /nfs/dbraw/zinc/45/12/58/1319451258.db2.gz SZCAFAOJIMGGQL-IXDOHACOSA-N 2 1 336.357 3.473 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)c2ccccc21 ZINC000817890409 1319452212 /nfs/dbraw/zinc/45/22/12/1319452212.db2.gz SZCAFAOJIMGGQL-IKGGRYGDSA-N 2 1 336.357 3.473 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000817891298 1319454019 /nfs/dbraw/zinc/45/40/19/1319454019.db2.gz JQCNUGNHETXYKN-HYVNUMGLSA-N 2 1 344.421 3.337 20 0 EGADMP COC[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cccc(Cl)c1F ZINC000817948941 1319473121 /nfs/dbraw/zinc/47/31/21/1319473121.db2.gz MOFFMSWAFWSFSX-QGZVFWFLSA-N 2 1 336.838 3.458 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001023367229 1319478052 /nfs/dbraw/zinc/47/80/52/1319478052.db2.gz XOVCYKUHSOVMOJ-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001023367229 1319478057 /nfs/dbraw/zinc/47/80/57/1319478057.db2.gz XOVCYKUHSOVMOJ-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001023367229 1319478061 /nfs/dbraw/zinc/47/80/61/1319478061.db2.gz XOVCYKUHSOVMOJ-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023400146 1319508262 /nfs/dbraw/zinc/50/82/62/1319508262.db2.gz AWBQBMQJCVHKSB-HNNXBMFYSA-N 2 1 337.533 3.052 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961373355 1319529507 /nfs/dbraw/zinc/52/95/07/1319529507.db2.gz GVLGSFDZROVMTH-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961373355 1319529513 /nfs/dbraw/zinc/52/95/13/1319529513.db2.gz GVLGSFDZROVMTH-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000961373355 1319529519 /nfs/dbraw/zinc/52/95/19/1319529519.db2.gz GVLGSFDZROVMTH-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001023446479 1319544730 /nfs/dbraw/zinc/54/47/30/1319544730.db2.gz QJLVKZXHUKBISO-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001023446479 1319544734 /nfs/dbraw/zinc/54/47/34/1319544734.db2.gz QJLVKZXHUKBISO-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001023446479 1319544740 /nfs/dbraw/zinc/54/47/40/1319544740.db2.gz QJLVKZXHUKBISO-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001023445942 1319544987 /nfs/dbraw/zinc/54/49/87/1319544987.db2.gz FUCLDFSOPGWFIB-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001023445942 1319544993 /nfs/dbraw/zinc/54/49/93/1319544993.db2.gz FUCLDFSOPGWFIB-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001023445942 1319544999 /nfs/dbraw/zinc/54/49/99/1319544999.db2.gz FUCLDFSOPGWFIB-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961440223 1319593423 /nfs/dbraw/zinc/59/34/23/1319593423.db2.gz KTSASIIECAEPOZ-ICSRJNTNSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000818967104 1319595355 /nfs/dbraw/zinc/59/53/55/1319595355.db2.gz WXDPHIDXTCJRFL-MLGOLLRUSA-N 2 1 341.377 3.170 20 0 EGADMP C[N@@H+](CCCC[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)C1CC1 ZINC000819363715 1319710377 /nfs/dbraw/zinc/71/03/77/1319710377.db2.gz YNKYWLHUROWUMY-MRXNPFEDSA-N 2 1 330.394 3.203 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]CC3CCC(C)(C)CC3)C2)CC[N@H+]1C ZINC000961849436 1319746595 /nfs/dbraw/zinc/74/65/95/1319746595.db2.gz LMYSQTHDVCYNSM-JYPHPWERSA-N 2 1 349.563 3.027 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646221 1319765751 /nfs/dbraw/zinc/76/57/51/1319765751.db2.gz KEYTZQQZXXMUIY-MJGOQNOKSA-N 2 1 345.531 3.236 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC000961922083 1319773337 /nfs/dbraw/zinc/77/33/37/1319773337.db2.gz AESXDHCFPWDCNI-NKELODKYSA-N 2 1 349.563 3.170 20 0 EGADMP O[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1Cl ZINC000838952590 1320840552 /nfs/dbraw/zinc/84/05/52/1320840552.db2.gz JAFBMOFVQDRZST-MRXNPFEDSA-N 2 1 329.271 3.243 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C)c1 ZINC000840721458 1321135113 /nfs/dbraw/zinc/13/51/13/1321135113.db2.gz CLAMIDOSUUBBRT-QFBILLFUSA-N 2 1 332.488 3.298 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000840726152 1321136079 /nfs/dbraw/zinc/13/60/79/1321136079.db2.gz XDJCFYDVROVWFY-QZTJIDSGSA-N 2 1 340.552 3.448 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1OC(=O)CC ZINC000840903012 1321173079 /nfs/dbraw/zinc/17/30/79/1321173079.db2.gz KGGQGVFOTPSBNP-SJORKVTESA-N 2 1 348.487 3.363 20 0 EGADMP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OC(=O)CC ZINC000840945365 1321183232 /nfs/dbraw/zinc/18/32/32/1321183232.db2.gz LLUSJUNLECTNFC-DOTOQJQBSA-N 2 1 348.487 3.173 20 0 EGADMP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OC(=O)CC ZINC000840945365 1321183236 /nfs/dbraw/zinc/18/32/36/1321183236.db2.gz LLUSJUNLECTNFC-DOTOQJQBSA-N 2 1 348.487 3.173 20 0 EGADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC(=O)CC ZINC000840945365 1321183240 /nfs/dbraw/zinc/18/32/40/1321183240.db2.gz LLUSJUNLECTNFC-DOTOQJQBSA-N 2 1 348.487 3.173 20 0 EGADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OC(=O)CC ZINC000840945365 1321183243 /nfs/dbraw/zinc/18/32/43/1321183243.db2.gz LLUSJUNLECTNFC-DOTOQJQBSA-N 2 1 348.487 3.173 20 0 EGADMP CCOc1cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)ccc1OC(=O)CC ZINC000841039447 1321206517 /nfs/dbraw/zinc/20/65/17/1321206517.db2.gz PPEJAXZGZQVSOF-KRWDZBQOSA-N 2 1 348.487 3.398 20 0 EGADMP Cc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215019 1328948417 /nfs/dbraw/zinc/94/84/17/1328948417.db2.gz XDUNXYZJYALNST-UHFFFAOYSA-N 2 1 325.456 3.127 20 0 EGADMP Cc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215019 1328948421 /nfs/dbraw/zinc/94/84/21/1328948421.db2.gz XDUNXYZJYALNST-UHFFFAOYSA-N 2 1 325.456 3.127 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859216066 1328949174 /nfs/dbraw/zinc/94/91/74/1328949174.db2.gz WZIDXADDGOBDAV-YLJYHZDGSA-N 2 1 345.531 3.360 20 0 EGADMP C[N@@H+](CCCCCCC[NH3+])[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000842473019 1321393338 /nfs/dbraw/zinc/39/33/38/1321393338.db2.gz MDEZUGFWFQWMNC-QGZVFWFLSA-N 2 1 337.895 3.286 20 0 EGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000842477980 1321394340 /nfs/dbraw/zinc/39/43/40/1321394340.db2.gz CZIIYJJBWYOAPF-CZUORRHYSA-N 2 1 344.286 3.107 20 0 EGADMP CCC[N@@H+](Cc1cc(=O)oc2cc3c(cc12)CCC3)C1CC[NH2+]CC1 ZINC000843360800 1321505949 /nfs/dbraw/zinc/50/59/49/1321505949.db2.gz PFTQQMGAMBPKII-UHFFFAOYSA-N 2 1 340.467 3.246 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1SC(F)(F)F ZINC000843364963 1321506830 /nfs/dbraw/zinc/50/68/30/1321506830.db2.gz XSSBDGVRJINRIN-ZYHUDNBSSA-N 2 1 334.407 3.476 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1SC(F)(F)F ZINC000843364963 1321506834 /nfs/dbraw/zinc/50/68/34/1321506834.db2.gz XSSBDGVRJINRIN-ZYHUDNBSSA-N 2 1 334.407 3.476 20 0 EGADMP CCc1cc2oc(=O)cc(C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)c2cc1Cl ZINC000843362329 1321507348 /nfs/dbraw/zinc/50/73/48/1321507348.db2.gz DRJOIYYJNGVUNI-NWDGAFQWSA-N 2 1 334.847 3.178 20 0 EGADMP CCc1cc2oc(=O)cc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)c2cc1Cl ZINC000843362329 1321507353 /nfs/dbraw/zinc/50/73/53/1321507353.db2.gz DRJOIYYJNGVUNI-NWDGAFQWSA-N 2 1 334.847 3.178 20 0 EGADMP CC[C@H](C)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000843368272 1321508211 /nfs/dbraw/zinc/50/82/11/1321508211.db2.gz MUKKEFRAJIYWLR-WQCNXYOZSA-N 2 1 329.488 3.198 20 0 EGADMP CC[C@H](C)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000843368272 1321508213 /nfs/dbraw/zinc/50/82/13/1321508213.db2.gz MUKKEFRAJIYWLR-WQCNXYOZSA-N 2 1 329.488 3.198 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])cc(=O)oc2c1C ZINC000846225436 1321777626 /nfs/dbraw/zinc/77/76/26/1321777626.db2.gz AYXXJQKZOGZESG-RDTXWAMCSA-N 2 1 328.456 3.359 20 0 EGADMP COc1cc(N[C@H]2CCC[N@@H+](CCCCCC[NH3+])C2)cc(OC)c1 ZINC000846221246 1321777692 /nfs/dbraw/zinc/77/76/92/1321777692.db2.gz VCUJJFQZPRNNQW-INIZCTEOSA-N 2 1 335.492 3.099 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000846815026 1321811613 /nfs/dbraw/zinc/81/16/13/1321811613.db2.gz WZSLMQXEFFTAIH-LJQANCHMSA-N 2 1 339.439 3.182 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000846815026 1321811615 /nfs/dbraw/zinc/81/16/15/1321811615.db2.gz WZSLMQXEFFTAIH-LJQANCHMSA-N 2 1 339.439 3.182 20 0 EGADMP CCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H](O)c1ccccc1 ZINC000848548584 1321974450 /nfs/dbraw/zinc/97/44/50/1321974450.db2.gz DJINKXITDBLYLI-HKBOAZHASA-N 2 1 346.515 3.122 20 0 EGADMP COC(=O)/C=C\c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)o1 ZINC000848895950 1322036450 /nfs/dbraw/zinc/03/64/50/1322036450.db2.gz ZHCPNQMAZQLYJQ-YDZSZYSISA-N 2 1 334.460 3.068 20 0 EGADMP C[C@@H]1C[C@@H](CCNC(=[NH2+])NC2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000848989174 1322056476 /nfs/dbraw/zinc/05/64/76/1322056476.db2.gz CSLRHPFBGAQMNW-SJLPKXTDSA-N 2 1 328.504 3.344 20 0 EGADMP Cc1ccc(CNC(=[NH2+])NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000849058696 1322062359 /nfs/dbraw/zinc/06/23/59/1322062359.db2.gz OTUCHDMRZKUFCN-HDICACEKSA-N 2 1 330.520 3.367 20 0 EGADMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000849063557 1322063467 /nfs/dbraw/zinc/06/34/67/1322063467.db2.gz JOQUDPGTXGYSOC-HNNXBMFYSA-N 2 1 348.491 3.151 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000849066423 1322064440 /nfs/dbraw/zinc/06/44/40/1322064440.db2.gz WSWKBIJJLHGEHD-QGZVFWFLSA-N 2 1 341.503 3.191 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)C1 ZINC000849083725 1322071745 /nfs/dbraw/zinc/07/17/45/1322071745.db2.gz GMBPMWWGTJNCRQ-GFCCVEGCSA-N 2 1 344.381 3.252 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000849113659 1322083329 /nfs/dbraw/zinc/08/33/29/1322083329.db2.gz ZFTXFINAECHNDH-KKUMJFAQSA-N 2 1 334.895 3.184 20 0 EGADMP C[N@H+]1CCC[C@@H](CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000849117109 1322084883 /nfs/dbraw/zinc/08/48/83/1322084883.db2.gz YQICCIHYWHEUEX-LBPRGKRZSA-N 2 1 344.381 3.253 20 0 EGADMP Cc1cccc2[nH]c(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cc21 ZINC000850135817 1322197751 /nfs/dbraw/zinc/19/77/51/1322197751.db2.gz QUSAJXCIZXUSOP-SFHVURJKSA-N 2 1 327.472 3.209 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(NC(=O)OCC)CC1 ZINC000850434348 1322248299 /nfs/dbraw/zinc/24/82/99/1322248299.db2.gz XFZGANQGMNKYKN-ABHNRTSZSA-N 2 1 339.524 3.288 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(NC(=O)OCC)CC1 ZINC000850434348 1322248305 /nfs/dbraw/zinc/24/83/05/1322248305.db2.gz XFZGANQGMNKYKN-ABHNRTSZSA-N 2 1 339.524 3.288 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)[C@H](C)C1 ZINC000850522837 1322261014 /nfs/dbraw/zinc/26/10/14/1322261014.db2.gz NPKYRNHXBJAFBA-CVEARBPZSA-N 2 1 339.524 3.144 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000922180664 1322473555 /nfs/dbraw/zinc/47/35/55/1322473555.db2.gz FDXJXHPWQYPIJR-IKGGRYGDSA-N 2 1 339.524 3.001 20 0 EGADMP O[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923313139 1322731139 /nfs/dbraw/zinc/73/11/39/1322731139.db2.gz VKGCMNIRLOMTFY-QQFYDIPVSA-N 2 1 328.500 3.495 20 0 EGADMP CC(C)(C)c1csc([C@H]2CCCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923323512 1322734177 /nfs/dbraw/zinc/73/41/77/1322734177.db2.gz HMYOSFWRVXWOEQ-HUUCEWRRSA-N 2 1 349.544 3.346 20 0 EGADMP CC(C)(C)c1csc([C@H]2CCCC[N@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923323512 1322734180 /nfs/dbraw/zinc/73/41/80/1322734180.db2.gz HMYOSFWRVXWOEQ-HUUCEWRRSA-N 2 1 349.544 3.346 20 0 EGADMP O[C@H](C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccc(F)cc1Cl ZINC000923361259 1322740336 /nfs/dbraw/zinc/74/03/36/1322740336.db2.gz HOIVIPBARUCXCX-PMUMKWKESA-N 2 1 340.870 3.224 20 0 EGADMP O[C@H](Cc1ccc2ccccc2c1)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923363162 1322740503 /nfs/dbraw/zinc/74/05/03/1322740503.db2.gz VQURJSJLCMUALB-YPAWHYETSA-N 2 1 338.495 3.065 20 0 EGADMP Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000923427759 1322750770 /nfs/dbraw/zinc/75/07/70/1322750770.db2.gz VNPRUJROLFDSRH-GNXYBZPXSA-N 2 1 328.504 3.051 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000923486516 1322760931 /nfs/dbraw/zinc/76/09/31/1322760931.db2.gz RLGFHAQEVAKBHJ-ULQDDVLXSA-N 2 1 339.483 3.076 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000851807262 1323095260 /nfs/dbraw/zinc/09/52/60/1323095260.db2.gz DUHBOXFSCKHEFQ-PCCBWWKXSA-N 2 1 348.531 3.056 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000851807262 1323095266 /nfs/dbraw/zinc/09/52/66/1323095266.db2.gz DUHBOXFSCKHEFQ-PCCBWWKXSA-N 2 1 348.531 3.056 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000851807262 1323095275 /nfs/dbraw/zinc/09/52/75/1323095275.db2.gz DUHBOXFSCKHEFQ-PCCBWWKXSA-N 2 1 348.531 3.056 20 0 EGADMP CC1(C)OC[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)O1 ZINC000851812389 1323096904 /nfs/dbraw/zinc/09/69/04/1323096904.db2.gz DLOAPWVHBQYRAF-SLFFLAALSA-N 2 1 344.499 3.124 20 0 EGADMP CC1(C)OC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)O1 ZINC000851812389 1323096915 /nfs/dbraw/zinc/09/69/15/1323096915.db2.gz DLOAPWVHBQYRAF-SLFFLAALSA-N 2 1 344.499 3.124 20 0 EGADMP CC1(C)OC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)O1 ZINC000851812389 1323096922 /nfs/dbraw/zinc/09/69/22/1323096922.db2.gz DLOAPWVHBQYRAF-SLFFLAALSA-N 2 1 344.499 3.124 20 0 EGADMP CC1(C)OC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)O1 ZINC000851812389 1323096926 /nfs/dbraw/zinc/09/69/26/1323096926.db2.gz DLOAPWVHBQYRAF-SLFFLAALSA-N 2 1 344.499 3.124 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)C1 ZINC000924689036 1323114235 /nfs/dbraw/zinc/11/42/35/1323114235.db2.gz WGZGNXJWDDZCCZ-HOJAQTOUSA-N 2 1 332.536 3.233 20 0 EGADMP C[C@H]1[C@@H](NC2CC[NH+](C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000924841815 1323184317 /nfs/dbraw/zinc/18/43/17/1323184317.db2.gz DWQKJCMQYVEYCR-UWJYYQICSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@H]1[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCN1Cc1ccccc1 ZINC000924841815 1323184322 /nfs/dbraw/zinc/18/43/22/1323184322.db2.gz DWQKJCMQYVEYCR-UWJYYQICSA-N 2 1 327.516 3.256 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001024188204 1323199217 /nfs/dbraw/zinc/19/92/17/1323199217.db2.gz IDLXZDLUHYRDKY-SFHVURJKSA-N 2 1 346.519 3.025 20 0 EGADMP Cc1ccccc1C[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccco1 ZINC000924995167 1323238623 /nfs/dbraw/zinc/23/86/23/1323238623.db2.gz XTEZOOSPWKWNNW-QUCCMNQESA-N 2 1 341.499 3.097 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024462638 1323418484 /nfs/dbraw/zinc/41/84/84/1323418484.db2.gz SUUJFBPJGRTCLF-QGZVFWFLSA-N 2 1 349.544 3.360 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024462638 1323418494 /nfs/dbraw/zinc/41/84/94/1323418494.db2.gz SUUJFBPJGRTCLF-QGZVFWFLSA-N 2 1 349.544 3.360 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1 ZINC001024469564 1323424674 /nfs/dbraw/zinc/42/46/74/1323424674.db2.gz SZGMWHMGWTZBSB-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024469564 1323424676 /nfs/dbraw/zinc/42/46/76/1323424676.db2.gz SZGMWHMGWTZBSB-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024469564 1323424679 /nfs/dbraw/zinc/42/46/79/1323424679.db2.gz SZGMWHMGWTZBSB-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479276 1323432815 /nfs/dbraw/zinc/43/28/15/1323432815.db2.gz DJNGZOUOFUZXIC-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479276 1323432819 /nfs/dbraw/zinc/43/28/19/1323432819.db2.gz DJNGZOUOFUZXIC-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479276 1323432825 /nfs/dbraw/zinc/43/28/25/1323432825.db2.gz DJNGZOUOFUZXIC-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811558 1323714570 /nfs/dbraw/zinc/71/45/70/1323714570.db2.gz UWSAADVITNDOAM-VQIMIIECSA-N 2 1 349.494 3.081 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024812248 1323715742 /nfs/dbraw/zinc/71/57/42/1323715742.db2.gz MRPMWSVAMQCEFA-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001024812248 1323715746 /nfs/dbraw/zinc/71/57/46/1323715746.db2.gz MRPMWSVAMQCEFA-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC(C)(C)C ZINC001024812248 1323715751 /nfs/dbraw/zinc/71/57/51/1323715751.db2.gz MRPMWSVAMQCEFA-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001024979212 1323811567 /nfs/dbraw/zinc/81/15/67/1323811567.db2.gz OHTFGSLUSMFLDC-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCC2)CC[N@H+]1C ZINC001025058491 1323861514 /nfs/dbraw/zinc/86/15/14/1323861514.db2.gz LVVGPOZEZPQJHW-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001025168693 1323936724 /nfs/dbraw/zinc/93/67/24/1323936724.db2.gz UQWGBJZJUDYKNZ-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1)c1ccccc1 ZINC001025170118 1323939083 /nfs/dbraw/zinc/93/90/83/1323939083.db2.gz XLIXECLDOUJLIW-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240696 1324033920 /nfs/dbraw/zinc/03/39/20/1324033920.db2.gz QLPGRDISMFXEDK-RBUKOAKNSA-N 2 1 347.547 3.282 20 0 EGADMP Cc1c(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CC(C)C)C2)ccc2c[nH+]cn21 ZINC001025465941 1324311102 /nfs/dbraw/zinc/31/11/02/1324311102.db2.gz XCBSFHLYMLGKQR-DOTOQJQBSA-N 2 1 342.487 3.129 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001026492452 1324845911 /nfs/dbraw/zinc/84/59/11/1324845911.db2.gz MOAFZWHMWPGCHE-CTWPCTMYSA-N 2 1 349.563 3.312 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001026492754 1324846788 /nfs/dbraw/zinc/84/67/88/1324846788.db2.gz XBIQGXHRGQELNQ-MHJFOBGBSA-N 2 1 347.547 3.377 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]CC3CCCC3)CC2)C1 ZINC001026505704 1324854213 /nfs/dbraw/zinc/85/42/13/1324854213.db2.gz NBAHKSNMZBMLCV-XEVCZEQESA-N 2 1 349.563 3.172 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC(C)C)CC1 ZINC001026590957 1324916727 /nfs/dbraw/zinc/91/67/27/1324916727.db2.gz NTZNYDQRTBAXNI-CTWPCTMYSA-N 2 1 337.552 3.314 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001026610832 1324932975 /nfs/dbraw/zinc/93/29/75/1324932975.db2.gz VJIAFWYAKLZOEA-SOAGJPPSSA-N 2 1 349.563 3.458 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cccc(Br)n1 ZINC000925135210 1325058503 /nfs/dbraw/zinc/05/85/03/1325058503.db2.gz VKHYYAJERPNGIY-GFCCVEGCSA-N 2 1 337.265 3.480 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026874892 1325058803 /nfs/dbraw/zinc/05/88/03/1325058803.db2.gz BPWDIELRMPGWEG-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCON1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000925135921 1325060222 /nfs/dbraw/zinc/06/02/22/1325060222.db2.gz MDJAJYBLOKUAKW-MAUKXSAKSA-N 2 1 337.533 3.137 20 0 EGADMP CCON1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000925135921 1325060229 /nfs/dbraw/zinc/06/02/29/1325060229.db2.gz MDJAJYBLOKUAKW-MAUKXSAKSA-N 2 1 337.533 3.137 20 0 EGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001026886788 1325062455 /nfs/dbraw/zinc/06/24/55/1325062455.db2.gz FOWVNKBYFSKEAK-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001026886790 1325062523 /nfs/dbraw/zinc/06/25/23/1325062523.db2.gz FOWVNKBYFSKEAK-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026887864 1325062922 /nfs/dbraw/zinc/06/29/22/1325062922.db2.gz WTQVPJYDOFJYDN-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026935006 1325091791 /nfs/dbraw/zinc/09/17/91/1325091791.db2.gz GVWWPCOKXZSYAD-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001026935620 1325092339 /nfs/dbraw/zinc/09/23/39/1325092339.db2.gz PWJCUUPVALWPAH-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC001027014413 1325155491 /nfs/dbraw/zinc/15/54/91/1325155491.db2.gz BMWUSJOXWUDFDS-VQTJNVASSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360725 1325157184 /nfs/dbraw/zinc/15/71/84/1325157184.db2.gz OJELIGNURYNHKK-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963360725 1325157188 /nfs/dbraw/zinc/15/71/88/1325157188.db2.gz OJELIGNURYNHKK-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963360725 1325157191 /nfs/dbraw/zinc/15/71/91/1325157191.db2.gz OJELIGNURYNHKK-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925516998 1325186916 /nfs/dbraw/zinc/18/69/16/1325186916.db2.gz WKFMIFCXKOTPEM-YZGWKJHDSA-N 2 1 338.499 3.355 20 0 EGADMP Clc1ccccc1C[NH+]1CCC(CN[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925555416 1325207183 /nfs/dbraw/zinc/20/71/83/1325207183.db2.gz FWGMGNJRHIVFAI-LJQANCHMSA-N 2 1 347.934 3.426 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)C1 ZINC000925588180 1325221669 /nfs/dbraw/zinc/22/16/69/1325221669.db2.gz OOYLNGOKRUWHKI-MISYRCLQSA-N 2 1 332.536 3.089 20 0 EGADMP C[N@H+]1CC[C@H](CN[C@@H]2CC[NH2+]C2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925631103 1325239421 /nfs/dbraw/zinc/23/94/21/1325239421.db2.gz UQPNCRKRJALJHQ-XYPHTWIQSA-N 2 1 339.886 3.202 20 0 EGADMP FC(F)(F)c1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)ccn1 ZINC000925680501 1325260084 /nfs/dbraw/zinc/26/00/84/1325260084.db2.gz RBLYLEGZWBTMJJ-LSDHHAIUSA-N 2 1 327.394 3.358 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CCCCCC1)C2 ZINC000963632176 1325348465 /nfs/dbraw/zinc/34/84/65/1325348465.db2.gz PTGYNVXJFGUGSZ-FCOWATRHSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc(C[S@](C)=O)cc2)CC1 ZINC000926416434 1325545923 /nfs/dbraw/zinc/54/59/23/1325545923.db2.gz ARQLLUFJWCXJNW-QHCPKHFHSA-N 2 1 336.545 3.165 20 0 EGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)c1cccc(-n2cnnc2)c1 ZINC000926504528 1325579095 /nfs/dbraw/zinc/57/90/95/1325579095.db2.gz UVNJORCMZIWOLH-MJGOQNOKSA-N 2 1 341.503 3.428 20 0 EGADMP CC(C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC000964645216 1327618114 /nfs/dbraw/zinc/61/81/14/1327618114.db2.gz XDFIJAQAHKMVRT-HNSLBZJHSA-N 2 1 347.547 3.209 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCCC2)C1 ZINC001027408245 1327634606 /nfs/dbraw/zinc/63/46/06/1327634606.db2.gz LVKDLNONVNWRJQ-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027408245 1327634612 /nfs/dbraw/zinc/63/46/12/1327634612.db2.gz LVKDLNONVNWRJQ-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027408245 1327634619 /nfs/dbraw/zinc/63/46/19/1327634619.db2.gz LVKDLNONVNWRJQ-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC001027430376 1327669714 /nfs/dbraw/zinc/66/97/14/1327669714.db2.gz RVPFWGYTVWFRSK-KRWDZBQOSA-N 2 1 349.544 3.146 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@@H]([N@@H+](C)CC3CCCCCC3)C2)CCC1 ZINC001027440498 1327678375 /nfs/dbraw/zinc/67/83/75/1327678375.db2.gz IFOXAEUSGQYJTC-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001027442438 1327682037 /nfs/dbraw/zinc/68/20/37/1327682037.db2.gz UMBQDPIZHRNJLQ-XLIONFOSSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001027442438 1327682042 /nfs/dbraw/zinc/68/20/42/1327682042.db2.gz UMBQDPIZHRNJLQ-XLIONFOSSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001027442438 1327682050 /nfs/dbraw/zinc/68/20/50/1327682050.db2.gz UMBQDPIZHRNJLQ-XLIONFOSSA-N 2 1 343.515 3.155 20 0 EGADMP Cc1ccc(NCC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000927073378 1327842571 /nfs/dbraw/zinc/84/25/71/1327842571.db2.gz KVPBKBXDOSHILT-QUCCMNQESA-N 2 1 338.499 3.302 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1 ZINC001027602429 1327955397 /nfs/dbraw/zinc/95/53/97/1327955397.db2.gz UKOGOOZOZLPBIJ-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC001027602429 1327955401 /nfs/dbraw/zinc/95/54/01/1327955401.db2.gz UKOGOOZOZLPBIJ-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647044 1328023682 /nfs/dbraw/zinc/02/36/82/1328023682.db2.gz KWWMEMLELGYPQL-TZIWHRDSSA-N 2 1 345.531 3.042 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694470 1328100212 /nfs/dbraw/zinc/10/02/12/1328100212.db2.gz ZEFNCROWBAPOTO-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885716 1328353323 /nfs/dbraw/zinc/35/33/23/1328353323.db2.gz IQILISKMKJVGIY-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885716 1328353332 /nfs/dbraw/zinc/35/33/32/1328353332.db2.gz IQILISKMKJVGIY-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885716 1328353334 /nfs/dbraw/zinc/35/33/34/1328353334.db2.gz IQILISKMKJVGIY-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885483 1328354273 /nfs/dbraw/zinc/35/42/73/1328354273.db2.gz FKZJQJIEAHRHAU-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885483 1328354280 /nfs/dbraw/zinc/35/42/80/1328354280.db2.gz FKZJQJIEAHRHAU-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885483 1328354285 /nfs/dbraw/zinc/35/42/85/1328354285.db2.gz FKZJQJIEAHRHAU-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913086 1328387703 /nfs/dbraw/zinc/38/77/03/1328387703.db2.gz GCIRLGBSRQIEOB-GOEBONIOSA-N 2 1 337.533 3.050 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913086 1328387709 /nfs/dbraw/zinc/38/77/09/1328387709.db2.gz GCIRLGBSRQIEOB-GOEBONIOSA-N 2 1 337.533 3.050 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001027927779 1328406900 /nfs/dbraw/zinc/40/69/00/1328406900.db2.gz CVCJDRNFRCKDID-UXHICEINSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC2=CCCCC2)C1 ZINC001027927779 1328406903 /nfs/dbraw/zinc/40/69/03/1328406903.db2.gz CVCJDRNFRCKDID-UXHICEINSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC2=CCCCC2)C1 ZINC001027927779 1328406911 /nfs/dbraw/zinc/40/69/11/1328406911.db2.gz CVCJDRNFRCKDID-UXHICEINSA-N 2 1 347.547 3.045 20 0 EGADMP O[C@@H](CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCCC1 ZINC000865876459 1329747865 /nfs/dbraw/zinc/74/78/65/1329747865.db2.gz KIKXHOIJUZLIHF-NRFANRHFSA-N 2 1 348.506 3.363 20 0 EGADMP C[N@H+]1CCC[C@@H](CNC(=O)CC[NH2+]C(C)(C)C)[C@@H]1c1cccs1 ZINC000933458282 1329890872 /nfs/dbraw/zinc/89/08/72/1329890872.db2.gz ZLOJDMPLKWFUTK-WMLDXEAASA-N 2 1 337.533 3.025 20 0 EGADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000935327415 1330044879 /nfs/dbraw/zinc/04/48/79/1330044879.db2.gz DELPATNDSYGYKZ-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CC[N@H+](CCC(C)C)C[C@@H]2C)ccc2c[nH+]cn21 ZINC000942206465 1331879056 /nfs/dbraw/zinc/87/90/56/1331879056.db2.gz ZTIUFQUQYPHRIZ-HNAYVOBHSA-N 2 1 342.487 3.129 20 0 EGADMP C[C@H]1C[N@@H+](CCCC2CCCC2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597031 1331995800 /nfs/dbraw/zinc/99/58/00/1331995800.db2.gz IAAAGXHOYNNWJX-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCC2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821662 1332042254 /nfs/dbraw/zinc/04/22/54/1332042254.db2.gz GAJZFSQDIMXOSI-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCC2)CC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821662 1332042255 /nfs/dbraw/zinc/04/22/55/1332042255.db2.gz GAJZFSQDIMXOSI-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCC2)CC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821662 1332042257 /nfs/dbraw/zinc/04/22/57/1332042257.db2.gz GAJZFSQDIMXOSI-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]2C1 ZINC000946846178 1332913697 /nfs/dbraw/zinc/91/36/97/1332913697.db2.gz TWGQPPCXRSWHGF-BGYRXZFFSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CCC1CC1 ZINC000947310274 1333084706 /nfs/dbraw/zinc/08/47/06/1333084706.db2.gz ONEZUAUPXZYCJB-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1CCC(C)(C)C ZINC000947438093 1333127523 /nfs/dbraw/zinc/12/75/23/1333127523.db2.gz UKXGPGFLLNFMCY-ROUUACIJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[N@H+]1CCC(C)(C)C ZINC000947662721 1333213503 /nfs/dbraw/zinc/21/35/03/1333213503.db2.gz LOYSKBSGFZICAM-NVXWUHKLSA-N 2 1 349.519 3.360 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCC1=CCCCC1 ZINC000947685292 1333223036 /nfs/dbraw/zinc/22/30/36/1333223036.db2.gz MJPOMWGFRAJPKM-PXNSSMCTSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1C/C=C/Cl ZINC000948065477 1333361602 /nfs/dbraw/zinc/36/16/02/1333361602.db2.gz JVKZJXQCTSWWAO-OEKIROHGSA-N 2 1 349.906 3.083 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(C)C)[C@H](C)C2)o1 ZINC000948079512 1333368873 /nfs/dbraw/zinc/36/88/73/1333368873.db2.gz XARNJPJEBCZRSN-IAGOWNOFSA-N 2 1 349.519 3.360 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948365709 1333496172 /nfs/dbraw/zinc/49/61/72/1333496172.db2.gz RWCHNLIOABWRIS-RTBURBONSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948365709 1333496173 /nfs/dbraw/zinc/49/61/73/1333496173.db2.gz RWCHNLIOABWRIS-RTBURBONSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948365709 1333496176 /nfs/dbraw/zinc/49/61/76/1333496176.db2.gz RWCHNLIOABWRIS-RTBURBONSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948368499 1333497341 /nfs/dbraw/zinc/49/73/41/1333497341.db2.gz NEBIFUIKJOXVRP-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948368499 1333497339 /nfs/dbraw/zinc/49/73/39/1333497339.db2.gz NEBIFUIKJOXVRP-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948368499 1333497340 /nfs/dbraw/zinc/49/73/40/1333497340.db2.gz NEBIFUIKJOXVRP-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CC3CCC3)CC2)C1 ZINC000948435697 1333523656 /nfs/dbraw/zinc/52/36/56/1333523656.db2.gz NZGWNQSDSLBJCW-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@H]2CCC[N@H+](CC3CCC3)CC2)C1 ZINC000948435697 1333523658 /nfs/dbraw/zinc/52/36/58/1333523658.db2.gz NZGWNQSDSLBJCW-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@H]2CCC[N@@H+](CC3CCC3)CC2)C1 ZINC000948435697 1333523659 /nfs/dbraw/zinc/52/36/59/1333523659.db2.gz NZGWNQSDSLBJCW-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948439973 1333526166 /nfs/dbraw/zinc/52/61/66/1333526166.db2.gz XWGFNWJPZZRFRC-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948439973 1333526171 /nfs/dbraw/zinc/52/61/71/1333526171.db2.gz XWGFNWJPZZRFRC-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948439973 1333526174 /nfs/dbraw/zinc/52/61/74/1333526174.db2.gz XWGFNWJPZZRFRC-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948575136 1333583379 /nfs/dbraw/zinc/58/33/79/1333583379.db2.gz QIPVAODZYGTEOY-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948575136 1333583381 /nfs/dbraw/zinc/58/33/81/1333583381.db2.gz QIPVAODZYGTEOY-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948575136 1333583382 /nfs/dbraw/zinc/58/33/82/1333583382.db2.gz QIPVAODZYGTEOY-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948591460 1333587867 /nfs/dbraw/zinc/58/78/67/1333587867.db2.gz XXGYEICPJQDAOQ-GOSISDBHSA-N 2 1 340.471 3.061 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948772143 1333672051 /nfs/dbraw/zinc/67/20/51/1333672051.db2.gz UEMGLGCSEPOFID-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000948772143 1333672054 /nfs/dbraw/zinc/67/20/54/1333672054.db2.gz UEMGLGCSEPOFID-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000948772143 1333672056 /nfs/dbraw/zinc/67/20/56/1333672056.db2.gz UEMGLGCSEPOFID-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000949807477 1333928705 /nfs/dbraw/zinc/92/87/05/1333928705.db2.gz SRBOWAMMIUMIQQ-ICSRJNTNSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000949807477 1333928715 /nfs/dbraw/zinc/92/87/15/1333928715.db2.gz SRBOWAMMIUMIQQ-ICSRJNTNSA-N 2 1 343.515 3.014 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000951195160 1334204031 /nfs/dbraw/zinc/20/40/31/1334204031.db2.gz FYBMCJYOKYHVEV-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967085478 1335658954 /nfs/dbraw/zinc/65/89/54/1335658954.db2.gz KOZVAAIWMKGRPY-DNVCBOLYSA-N 2 1 340.471 3.049 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC2=CCCCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968190710 1335868768 /nfs/dbraw/zinc/86/87/68/1335868768.db2.gz LOXPWIXIBWNSOF-YLJYHZDGSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1CC[N@@H+](CCC2CCCC2)C[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968378674 1335910022 /nfs/dbraw/zinc/91/00/22/1335910022.db2.gz RMASRTQULDKLAY-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CC2(CCC2)C1 ZINC000968782733 1336048875 /nfs/dbraw/zinc/04/88/75/1336048875.db2.gz ZBWTVURKQKKCQO-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CC2(CCC2)C1 ZINC000968782733 1336048879 /nfs/dbraw/zinc/04/88/79/1336048879.db2.gz ZBWTVURKQKKCQO-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CC2(CCC2)C1 ZINC000968782733 1336048884 /nfs/dbraw/zinc/04/88/84/1336048884.db2.gz ZBWTVURKQKKCQO-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCCC1 ZINC000968882015 1336078012 /nfs/dbraw/zinc/07/80/12/1336078012.db2.gz DZHPHNACAHSDGE-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCCC1 ZINC000968882015 1336078016 /nfs/dbraw/zinc/07/80/16/1336078016.db2.gz DZHPHNACAHSDGE-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCCC1 ZINC000968882015 1336078018 /nfs/dbraw/zinc/07/80/18/1336078018.db2.gz DZHPHNACAHSDGE-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000968916170 1336087172 /nfs/dbraw/zinc/08/71/72/1336087172.db2.gz XYAVSRHVLQZVTA-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000968915763 1336087313 /nfs/dbraw/zinc/08/73/13/1336087313.db2.gz PTWUJPGMWOSBJL-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1=CCCCC1 ZINC000968920221 1336089207 /nfs/dbraw/zinc/08/92/07/1336089207.db2.gz RFEPPYUTGLWPOU-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1=CCCCC1 ZINC000968920221 1336089210 /nfs/dbraw/zinc/08/92/10/1336089210.db2.gz RFEPPYUTGLWPOU-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1=CCCCC1 ZINC000968920221 1336089212 /nfs/dbraw/zinc/08/92/12/1336089212.db2.gz RFEPPYUTGLWPOU-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1=CCCCC1 ZINC000968920221 1336089215 /nfs/dbraw/zinc/08/92/15/1336089215.db2.gz RFEPPYUTGLWPOU-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC[C@H](F)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936897 1336096184 /nfs/dbraw/zinc/09/61/84/1336096184.db2.gz UNEUAAIMPJVLLV-DLBZAZTESA-N 2 1 346.450 3.057 20 0 EGADMP C[C@]1([NH3+])CCC[N@H+](Cc2c[nH]c3ncc(Br)cc23)CC1 ZINC001205272978 1370703279 /nfs/dbraw/zinc/70/32/79/1370703279.db2.gz BQJMMVAVRHGENU-HNNXBMFYSA-N 2 1 337.265 3.029 20 0 EGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3ncc(Br)cc23)CC1 ZINC001205272978 1370703289 /nfs/dbraw/zinc/70/32/89/1370703289.db2.gz BQJMMVAVRHGENU-HNNXBMFYSA-N 2 1 337.265 3.029 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CC1 ZINC000969059092 1336133224 /nfs/dbraw/zinc/13/32/24/1336133224.db2.gz FWBGZONBCRLPBS-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CC1 ZINC000969059092 1336133226 /nfs/dbraw/zinc/13/32/26/1336133226.db2.gz FWBGZONBCRLPBS-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CC1 ZINC000969059092 1336133228 /nfs/dbraw/zinc/13/32/28/1336133228.db2.gz FWBGZONBCRLPBS-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969060259 1336133870 /nfs/dbraw/zinc/13/38/70/1336133870.db2.gz XYVAYPXKZGMBCB-RTBURBONSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000969060259 1336133872 /nfs/dbraw/zinc/13/38/72/1336133872.db2.gz XYVAYPXKZGMBCB-RTBURBONSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000969060259 1336133874 /nfs/dbraw/zinc/13/38/74/1336133874.db2.gz XYVAYPXKZGMBCB-RTBURBONSA-N 2 1 337.552 3.410 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCC1 ZINC000969156138 1336164898 /nfs/dbraw/zinc/16/48/98/1336164898.db2.gz KTNFNTFQOMIELW-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1 ZINC000969156380 1336165932 /nfs/dbraw/zinc/16/59/32/1336165932.db2.gz RKCBZCZQCJJUJV-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CC1 ZINC000969156380 1336165934 /nfs/dbraw/zinc/16/59/34/1336165934.db2.gz RKCBZCZQCJJUJV-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCC1CC1 ZINC000969156380 1336165936 /nfs/dbraw/zinc/16/59/36/1336165936.db2.gz RKCBZCZQCJJUJV-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000969595039 1336226450 /nfs/dbraw/zinc/22/64/50/1336226450.db2.gz MAJNVRZQERVKPO-PWIZWCRZSA-N 2 1 343.515 3.156 20 0 EGADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001006293611 1336484587 /nfs/dbraw/zinc/48/45/87/1336484587.db2.gz HXMMPSFKGDZBMO-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH+](CC2CCCC2)C1 ZINC001007498954 1336658902 /nfs/dbraw/zinc/65/89/02/1336658902.db2.gz MWLDVHPQCOHUKK-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001007498954 1336658903 /nfs/dbraw/zinc/65/89/03/1336658903.db2.gz MWLDVHPQCOHUKK-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001007498954 1336658904 /nfs/dbraw/zinc/65/89/04/1336658904.db2.gz MWLDVHPQCOHUKK-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001007649654 1336684057 /nfs/dbraw/zinc/68/40/57/1336684057.db2.gz WMPMHPFBKBRVEY-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001007649654 1336684062 /nfs/dbraw/zinc/68/40/62/1336684062.db2.gz WMPMHPFBKBRVEY-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001007649654 1336684067 /nfs/dbraw/zinc/68/40/67/1336684067.db2.gz WMPMHPFBKBRVEY-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001007648949 1336684087 /nfs/dbraw/zinc/68/40/87/1336684087.db2.gz VQCDDZKGDPDPJU-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001007648949 1336684090 /nfs/dbraw/zinc/68/40/90/1336684090.db2.gz VQCDDZKGDPDPJU-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001007648949 1336684093 /nfs/dbraw/zinc/68/40/93/1336684093.db2.gz VQCDDZKGDPDPJU-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CCC[N@@H+](CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001007721974 1336690982 /nfs/dbraw/zinc/69/09/82/1336690982.db2.gz DCZBTMWJIDULTC-MRXNPFEDSA-N 2 1 342.487 3.273 20 0 EGADMP Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007797529 1336702498 /nfs/dbraw/zinc/70/24/98/1336702498.db2.gz BJPMESHGFGBCOK-IBGZPJMESA-N 2 1 348.450 3.037 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001008541597 1336878046 /nfs/dbraw/zinc/87/80/46/1336878046.db2.gz RLXKEVBCMKRHKB-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001008541597 1336878051 /nfs/dbraw/zinc/87/80/51/1336878051.db2.gz RLXKEVBCMKRHKB-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001008541597 1336878055 /nfs/dbraw/zinc/87/80/55/1336878055.db2.gz RLXKEVBCMKRHKB-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ccsc2)C1 ZINC001008773629 1336924738 /nfs/dbraw/zinc/92/47/38/1336924738.db2.gz YYESRWLVUSFACS-ROUUACIJSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccsc2)C1 ZINC001008773629 1336924741 /nfs/dbraw/zinc/92/47/41/1336924741.db2.gz YYESRWLVUSFACS-ROUUACIJSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccsc2)C1 ZINC001008773629 1336924744 /nfs/dbraw/zinc/92/47/44/1336924744.db2.gz YYESRWLVUSFACS-ROUUACIJSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC001008773629 1336924748 /nfs/dbraw/zinc/92/47/48/1336924748.db2.gz YYESRWLVUSFACS-ROUUACIJSA-N 2 1 349.544 3.092 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001009625675 1337048955 /nfs/dbraw/zinc/04/89/55/1337048955.db2.gz FZBOSEROIOQPDG-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001009634003 1337050801 /nfs/dbraw/zinc/05/08/01/1337050801.db2.gz IAUFVXVOMRIVHR-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001009634003 1337050804 /nfs/dbraw/zinc/05/08/04/1337050804.db2.gz IAUFVXVOMRIVHR-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001009634003 1337050808 /nfs/dbraw/zinc/05/08/08/1337050808.db2.gz IAUFVXVOMRIVHR-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCC3CC3)C2)o1 ZINC001009683569 1337059595 /nfs/dbraw/zinc/05/95/95/1337059595.db2.gz PKXZFNYYZYBRCJ-QGZVFWFLSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001014430052 1337775984 /nfs/dbraw/zinc/77/59/84/1337775984.db2.gz AGQDFUQHVKTEPL-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001014707755 1337877512 /nfs/dbraw/zinc/87/75/12/1337877512.db2.gz UZVBRPBSMDJWEL-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001014707755 1337877517 /nfs/dbraw/zinc/87/75/17/1337877517.db2.gz UZVBRPBSMDJWEL-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001014707755 1337877522 /nfs/dbraw/zinc/87/75/22/1337877522.db2.gz UZVBRPBSMDJWEL-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCC3CCCCC3)C2)C1 ZINC001014708311 1337877663 /nfs/dbraw/zinc/87/76/63/1337877663.db2.gz VVKZKYYKAKNBOC-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CCC3CCCCC3)C2)C1 ZINC001014708311 1337877667 /nfs/dbraw/zinc/87/76/67/1337877667.db2.gz VVKZKYYKAKNBOC-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001014708311 1337877669 /nfs/dbraw/zinc/87/76/69/1337877669.db2.gz VVKZKYYKAKNBOC-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001014720232 1337882555 /nfs/dbraw/zinc/88/25/55/1337882555.db2.gz CMSZLPQTDJFMTM-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001014720232 1337882559 /nfs/dbraw/zinc/88/25/59/1337882559.db2.gz CMSZLPQTDJFMTM-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001014720232 1337882561 /nfs/dbraw/zinc/88/25/61/1337882561.db2.gz CMSZLPQTDJFMTM-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CCC2CCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001014730915 1337890186 /nfs/dbraw/zinc/89/01/86/1337890186.db2.gz YMQATZJYTSSPRK-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CC[NH+](CCC2CCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001014730915 1337890191 /nfs/dbraw/zinc/89/01/91/1337890191.db2.gz YMQATZJYTSSPRK-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CC[NH+](CCC2CCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001014730915 1337890196 /nfs/dbraw/zinc/89/01/96/1337890196.db2.gz YMQATZJYTSSPRK-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014731188 1337890238 /nfs/dbraw/zinc/89/02/38/1337890238.db2.gz ZWMVJGIWIUJBME-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014731188 1337890239 /nfs/dbraw/zinc/89/02/39/1337890239.db2.gz ZWMVJGIWIUJBME-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014731188 1337890241 /nfs/dbraw/zinc/89/02/41/1337890241.db2.gz ZWMVJGIWIUJBME-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014731187 1337890364 /nfs/dbraw/zinc/89/03/64/1337890364.db2.gz ZWMVJGIWIUJBME-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014731187 1337890367 /nfs/dbraw/zinc/89/03/67/1337890367.db2.gz ZWMVJGIWIUJBME-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014731187 1337890370 /nfs/dbraw/zinc/89/03/70/1337890370.db2.gz ZWMVJGIWIUJBME-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001015596370 1338199957 /nfs/dbraw/zinc/19/99/57/1338199957.db2.gz BOXLDFINCLJJLM-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001015596370 1338199959 /nfs/dbraw/zinc/19/99/59/1338199959.db2.gz BOXLDFINCLJJLM-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001015596370 1338199961 /nfs/dbraw/zinc/19/99/61/1338199961.db2.gz BOXLDFINCLJJLM-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001015791684 1338312377 /nfs/dbraw/zinc/31/23/77/1338312377.db2.gz KHZMTDXAGNGLPG-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001015791684 1338312379 /nfs/dbraw/zinc/31/23/79/1338312379.db2.gz KHZMTDXAGNGLPG-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001015791684 1338312383 /nfs/dbraw/zinc/31/23/83/1338312383.db2.gz KHZMTDXAGNGLPG-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001015793968 1338313841 /nfs/dbraw/zinc/31/38/41/1338313841.db2.gz DIXNVXCRZBXMEN-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001015793968 1338313844 /nfs/dbraw/zinc/31/38/44/1338313844.db2.gz DIXNVXCRZBXMEN-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001015793968 1338313846 /nfs/dbraw/zinc/31/38/46/1338313846.db2.gz DIXNVXCRZBXMEN-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001015977348 1338389186 /nfs/dbraw/zinc/38/91/86/1338389186.db2.gz UEMKLPJBTQSEMU-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001015977348 1338389191 /nfs/dbraw/zinc/38/91/91/1338389191.db2.gz UEMKLPJBTQSEMU-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001015977348 1338389193 /nfs/dbraw/zinc/38/91/93/1338389193.db2.gz UEMKLPJBTQSEMU-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001016338996 1338555793 /nfs/dbraw/zinc/55/57/93/1338555793.db2.gz MTPDIJYGDTXQCZ-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001016338996 1338555794 /nfs/dbraw/zinc/55/57/94/1338555794.db2.gz MTPDIJYGDTXQCZ-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001016338996 1338555799 /nfs/dbraw/zinc/55/57/99/1338555799.db2.gz MTPDIJYGDTXQCZ-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001016340474 1338556018 /nfs/dbraw/zinc/55/60/18/1338556018.db2.gz WTCCQOOHYRJXIV-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001016340474 1338556021 /nfs/dbraw/zinc/55/60/21/1338556021.db2.gz WTCCQOOHYRJXIV-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001016340474 1338556026 /nfs/dbraw/zinc/55/60/26/1338556026.db2.gz WTCCQOOHYRJXIV-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001016689246 1338691725 /nfs/dbraw/zinc/69/17/25/1338691725.db2.gz XKPOYLVAEIWSDK-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001016984548 1338792503 /nfs/dbraw/zinc/79/25/03/1338792503.db2.gz DYXMYRFIEDFZKF-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001017209581 1338955849 /nfs/dbraw/zinc/95/58/49/1338955849.db2.gz QRLCBBQHCOCWCI-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001017209581 1338955852 /nfs/dbraw/zinc/95/58/52/1338955852.db2.gz QRLCBBQHCOCWCI-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001017209581 1338955855 /nfs/dbraw/zinc/95/58/55/1338955855.db2.gz QRLCBBQHCOCWCI-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CCC2)C1 ZINC001017228935 1338967452 /nfs/dbraw/zinc/96/74/52/1338967452.db2.gz UDBRAOVHRHHUDS-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001017228935 1338967455 /nfs/dbraw/zinc/96/74/55/1338967455.db2.gz UDBRAOVHRHHUDS-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017228935 1338967456 /nfs/dbraw/zinc/96/74/56/1338967456.db2.gz UDBRAOVHRHHUDS-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001017618929 1339377850 /nfs/dbraw/zinc/37/78/50/1339377850.db2.gz VZEFHRGXGCNQRT-LMCOJAPRSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001017618929 1339377853 /nfs/dbraw/zinc/37/78/53/1339377853.db2.gz VZEFHRGXGCNQRT-LMCOJAPRSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001017618929 1339377856 /nfs/dbraw/zinc/37/78/56/1339377856.db2.gz VZEFHRGXGCNQRT-LMCOJAPRSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@H](C(=O)N1[C@@H]2CC[C@H]1C[N@@H+]([C@H](CC)c1ccccc1)C2)[NH+](C)C ZINC001017659485 1339385534 /nfs/dbraw/zinc/38/55/34/1339385534.db2.gz UKPYIQKHXCVCTK-IYWMVGAKSA-N 2 1 343.515 3.153 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001017696299 1339393419 /nfs/dbraw/zinc/39/34/19/1339393419.db2.gz QQYUQCRXFBPELQ-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001017696299 1339393420 /nfs/dbraw/zinc/39/34/20/1339393420.db2.gz QQYUQCRXFBPELQ-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001017696299 1339393422 /nfs/dbraw/zinc/39/34/22/1339393422.db2.gz QQYUQCRXFBPELQ-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001018309951 1339571227 /nfs/dbraw/zinc/57/12/27/1339571227.db2.gz BIOWNHICZCVTNI-ZCNNSNEGSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001018309951 1339571230 /nfs/dbraw/zinc/57/12/30/1339571230.db2.gz BIOWNHICZCVTNI-ZCNNSNEGSA-N 2 1 343.515 3.011 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCC1 ZINC001028252566 1340513217 /nfs/dbraw/zinc/51/32/17/1340513217.db2.gz YCIBSCZNNRPOSA-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001028252566 1340513224 /nfs/dbraw/zinc/51/32/24/1340513224.db2.gz YCIBSCZNNRPOSA-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1 ZINC001028252566 1340513230 /nfs/dbraw/zinc/51/32/30/1340513230.db2.gz YCIBSCZNNRPOSA-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CC1 ZINC001028252652 1340513390 /nfs/dbraw/zinc/51/33/90/1340513390.db2.gz ZZJXUULGZNKFOE-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CC1 ZINC001028252652 1340513399 /nfs/dbraw/zinc/51/33/99/1340513399.db2.gz ZZJXUULGZNKFOE-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CC1 ZINC001028252652 1340513403 /nfs/dbraw/zinc/51/34/03/1340513403.db2.gz ZZJXUULGZNKFOE-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCCC1)[C@@]12CC[NH+](C1)CCC2 ZINC001028288167 1340541492 /nfs/dbraw/zinc/54/14/92/1340541492.db2.gz BKLJJIGWPOGAHC-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CC1CCCCCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001028288167 1340541499 /nfs/dbraw/zinc/54/14/99/1340541499.db2.gz BKLJJIGWPOGAHC-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CC1CCCCCC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001028288167 1340541505 /nfs/dbraw/zinc/54/15/05/1340541505.db2.gz BKLJJIGWPOGAHC-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001028537700 1340693461 /nfs/dbraw/zinc/69/34/61/1340693461.db2.gz QJXKEZCPSRAUSM-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001028537700 1340693463 /nfs/dbraw/zinc/69/34/63/1340693463.db2.gz QJXKEZCPSRAUSM-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001028537700 1340693466 /nfs/dbraw/zinc/69/34/66/1340693466.db2.gz QJXKEZCPSRAUSM-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CCC3CCCCC3)C2)CC[N@H+]1C ZINC001028552921 1340698525 /nfs/dbraw/zinc/69/85/25/1340698525.db2.gz VXWGULWAJGYPOX-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001028552921 1340698526 /nfs/dbraw/zinc/69/85/26/1340698526.db2.gz VXWGULWAJGYPOX-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001028552921 1340698529 /nfs/dbraw/zinc/69/85/29/1340698529.db2.gz VXWGULWAJGYPOX-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001028579866 1340712329 /nfs/dbraw/zinc/71/23/29/1340712329.db2.gz KEOLUKZHECKYLN-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001028579866 1340712332 /nfs/dbraw/zinc/71/23/32/1340712332.db2.gz KEOLUKZHECKYLN-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001028579866 1340712333 /nfs/dbraw/zinc/71/23/33/1340712333.db2.gz KEOLUKZHECKYLN-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594094 1340719841 /nfs/dbraw/zinc/71/98/41/1340719841.db2.gz AQZGBEHFZVBXLP-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594094 1340719848 /nfs/dbraw/zinc/71/98/48/1340719848.db2.gz AQZGBEHFZVBXLP-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594094 1340719852 /nfs/dbraw/zinc/71/98/52/1340719852.db2.gz AQZGBEHFZVBXLP-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755057 1340791342 /nfs/dbraw/zinc/79/13/42/1340791342.db2.gz FPVAZMBMOWBLOG-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755057 1340791346 /nfs/dbraw/zinc/79/13/46/1340791346.db2.gz FPVAZMBMOWBLOG-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755057 1340791355 /nfs/dbraw/zinc/79/13/55/1340791355.db2.gz FPVAZMBMOWBLOG-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001029111352 1340932438 /nfs/dbraw/zinc/93/24/38/1340932438.db2.gz GTBIZTHTFWJTHX-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1 ZINC001029114282 1340933261 /nfs/dbraw/zinc/93/32/61/1340933261.db2.gz WXUURFSUTIOZBT-FXAWDEMLSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001029114636 1340933390 /nfs/dbraw/zinc/93/33/90/1340933390.db2.gz DRNWENZMJGDYAG-PXNSSMCTSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CC(CC)CC)C1 ZINC001029436809 1340990126 /nfs/dbraw/zinc/99/01/26/1340990126.db2.gz HVJWUEQGTCUZSF-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(CC)CC)C1 ZINC001029436809 1340990128 /nfs/dbraw/zinc/99/01/28/1340990128.db2.gz HVJWUEQGTCUZSF-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(CC)CC)C1 ZINC001029436809 1340990129 /nfs/dbraw/zinc/99/01/29/1340990129.db2.gz HVJWUEQGTCUZSF-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC001029755115 1341064033 /nfs/dbraw/zinc/06/40/33/1341064033.db2.gz HZUPBYCOLAYRTD-ICSRJNTNSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)CC1CCCCCC1 ZINC001029824098 1341086790 /nfs/dbraw/zinc/08/67/90/1341086790.db2.gz LXHTXJPLKLERDB-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001029858379 1341098083 /nfs/dbraw/zinc/09/80/83/1341098083.db2.gz BOXQMIFPZXRBKS-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)N1CCC(C[N@@H+](C)[C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001029972624 1341139863 /nfs/dbraw/zinc/13/98/63/1341139863.db2.gz KYJNCBKHQGSQTA-YLJYHZDGSA-N 2 1 345.531 3.258 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001030020178 1341159665 /nfs/dbraw/zinc/15/96/65/1341159665.db2.gz PRNUPINADOVBGF-WSTZPKSXSA-N 2 1 343.515 3.039 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001030301084 1341176842 /nfs/dbraw/zinc/17/68/42/1341176842.db2.gz CKXYBCGWVRAQJI-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001030301084 1341176843 /nfs/dbraw/zinc/17/68/43/1341176843.db2.gz CKXYBCGWVRAQJI-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCCCC2)C1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001030306091 1341177551 /nfs/dbraw/zinc/17/75/51/1341177551.db2.gz KATPQWZHURSHIY-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP CC1(C)CCC(C[NH+]2CC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)CC1 ZINC001030518627 1341193859 /nfs/dbraw/zinc/19/38/59/1341193859.db2.gz HLWAWIAIYCIGIA-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CCC(C[NH+]2CC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)CC1 ZINC001030518627 1341193860 /nfs/dbraw/zinc/19/38/60/1341193860.db2.gz HLWAWIAIYCIGIA-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC(C[NH+]2CC(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001030831366 1341232104 /nfs/dbraw/zinc/23/21/04/1341232104.db2.gz GQULULMZHIDHFE-IBGZPJMESA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC(C[NH+]2CC(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001030831366 1341232105 /nfs/dbraw/zinc/23/21/05/1341232105.db2.gz GQULULMZHIDHFE-IBGZPJMESA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)C2 ZINC001072886268 1355485153 /nfs/dbraw/zinc/48/51/53/1355485153.db2.gz MQYYRMLKSSYDPL-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2 ZINC001072886268 1355485156 /nfs/dbraw/zinc/48/51/56/1355485156.db2.gz MQYYRMLKSSYDPL-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2 ZINC001072886268 1355485158 /nfs/dbraw/zinc/48/51/58/1355485158.db2.gz MQYYRMLKSSYDPL-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCC(C)(C)C)C1 ZINC001032119143 1341458541 /nfs/dbraw/zinc/45/85/41/1341458541.db2.gz HAEQXYXBXFBKLQ-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCCC1 ZINC001032664347 1341575943 /nfs/dbraw/zinc/57/59/43/1341575943.db2.gz YKPPUMGGOFPFJE-UFYCRDLUSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCC1 ZINC001032664347 1341575945 /nfs/dbraw/zinc/57/59/45/1341575945.db2.gz YKPPUMGGOFPFJE-UFYCRDLUSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCC1 ZINC001032664347 1341575947 /nfs/dbraw/zinc/57/59/47/1341575947.db2.gz YKPPUMGGOFPFJE-UFYCRDLUSA-N 2 1 347.547 3.115 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033074496 1341716093 /nfs/dbraw/zinc/71/60/93/1341716093.db2.gz ANZKAMULRIKZFM-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033144666 1341738631 /nfs/dbraw/zinc/73/86/31/1341738631.db2.gz ACYLNSCIILJZMP-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033144666 1341738633 /nfs/dbraw/zinc/73/86/33/1341738633.db2.gz ACYLNSCIILJZMP-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033144666 1341738635 /nfs/dbraw/zinc/73/86/35/1341738635.db2.gz ACYLNSCIILJZMP-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033145573 1341738897 /nfs/dbraw/zinc/73/88/97/1341738897.db2.gz IGDWOVNOYNGRBH-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033145573 1341738898 /nfs/dbraw/zinc/73/88/98/1341738898.db2.gz IGDWOVNOYNGRBH-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033145573 1341738899 /nfs/dbraw/zinc/73/88/99/1341738899.db2.gz IGDWOVNOYNGRBH-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033214368 1341754239 /nfs/dbraw/zinc/75/42/39/1341754239.db2.gz SWLQNXVIRZJPIH-SFHVURJKSA-N 2 1 342.487 3.225 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[NH+]1C1CCCC1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033359682 1341796251 /nfs/dbraw/zinc/79/62/51/1341796251.db2.gz AOSLWYQZKADVME-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001033359682 1341796253 /nfs/dbraw/zinc/79/62/53/1341796253.db2.gz AOSLWYQZKADVME-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001033359682 1341796255 /nfs/dbraw/zinc/79/62/55/1341796255.db2.gz AOSLWYQZKADVME-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001033422634 1341821493 /nfs/dbraw/zinc/82/14/93/1341821493.db2.gz HXHPZJSZPIBGMC-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001033422634 1341821495 /nfs/dbraw/zinc/82/14/95/1341821495.db2.gz HXHPZJSZPIBGMC-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001033422634 1341821497 /nfs/dbraw/zinc/82/14/97/1341821497.db2.gz HXHPZJSZPIBGMC-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033664024 1341934629 /nfs/dbraw/zinc/93/46/29/1341934629.db2.gz BLUUZWHVLSPOKV-CRAIPNDOSA-N 2 1 349.906 3.030 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033664024 1341934631 /nfs/dbraw/zinc/93/46/31/1341934631.db2.gz BLUUZWHVLSPOKV-CRAIPNDOSA-N 2 1 349.906 3.030 20 0 EGADMP CCCC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033699547 1341966458 /nfs/dbraw/zinc/96/64/58/1341966458.db2.gz OGRAAURWKAPRBP-INIZCTEOSA-N 2 1 335.492 3.068 20 0 EGADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001033825145 1342026386 /nfs/dbraw/zinc/02/63/86/1342026386.db2.gz AQOSHLBKFWAMIR-ZWKOTPCHSA-N 2 1 349.544 3.044 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033825145 1342026389 /nfs/dbraw/zinc/02/63/89/1342026389.db2.gz AQOSHLBKFWAMIR-ZWKOTPCHSA-N 2 1 349.544 3.044 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033825145 1342026391 /nfs/dbraw/zinc/02/63/91/1342026391.db2.gz AQOSHLBKFWAMIR-ZWKOTPCHSA-N 2 1 349.544 3.044 20 0 EGADMP CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033836089 1342034959 /nfs/dbraw/zinc/03/49/59/1342034959.db2.gz LFIQQYFQJBBCER-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033836089 1342034965 /nfs/dbraw/zinc/03/49/65/1342034965.db2.gz LFIQQYFQJBBCER-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033836089 1342034967 /nfs/dbraw/zinc/03/49/67/1342034967.db2.gz LFIQQYFQJBBCER-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033941208 1342102750 /nfs/dbraw/zinc/10/27/50/1342102750.db2.gz NIRHDTCSRCEUEL-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033953370 1342111555 /nfs/dbraw/zinc/11/15/55/1342111555.db2.gz LCSLQHOWNADJTL-FQEVSTJZSA-N 2 1 345.531 3.127 20 0 EGADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001034046212 1342186174 /nfs/dbraw/zinc/18/61/74/1342186174.db2.gz QPVVECZCSOYRMW-HXUWFJFHSA-N 2 1 345.531 3.331 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001034214758 1342321802 /nfs/dbraw/zinc/32/18/02/1342321802.db2.gz PXURVTZNGZPMHR-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001034214758 1342321805 /nfs/dbraw/zinc/32/18/05/1342321805.db2.gz PXURVTZNGZPMHR-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001034214758 1342321807 /nfs/dbraw/zinc/32/18/07/1342321807.db2.gz PXURVTZNGZPMHR-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034238499 1342339331 /nfs/dbraw/zinc/33/93/31/1342339331.db2.gz CQOSFXGMWACWHH-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034238499 1342339335 /nfs/dbraw/zinc/33/93/35/1342339335.db2.gz CQOSFXGMWACWHH-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034238499 1342339353 /nfs/dbraw/zinc/33/93/53/1342339353.db2.gz CQOSFXGMWACWHH-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034241285 1342341634 /nfs/dbraw/zinc/34/16/34/1342341634.db2.gz XGOMOSOPWFGXQK-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccsc2)C1 ZINC001034241285 1342341638 /nfs/dbraw/zinc/34/16/38/1342341638.db2.gz XGOMOSOPWFGXQK-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccsc2)C1 ZINC001034241285 1342341639 /nfs/dbraw/zinc/34/16/39/1342341639.db2.gz XGOMOSOPWFGXQK-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034258543 1342351774 /nfs/dbraw/zinc/35/17/74/1342351774.db2.gz YXZQLQQHJCMGJI-GOSISDBHSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](CC2CCCCCC2)C1 ZINC001034309574 1342391715 /nfs/dbraw/zinc/39/17/15/1342391715.db2.gz MTLLGIQINPBNTH-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](CC2CCCCCC2)C1 ZINC001034309574 1342391717 /nfs/dbraw/zinc/39/17/17/1342391717.db2.gz MTLLGIQINPBNTH-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034332487 1342406896 /nfs/dbraw/zinc/40/68/96/1342406896.db2.gz ZNBPKZFIOPGCDK-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034364093 1342434126 /nfs/dbraw/zinc/43/41/26/1342434126.db2.gz QIEZKVHTJUKPIL-YTQUADARSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034364093 1342434127 /nfs/dbraw/zinc/43/41/27/1342434127.db2.gz QIEZKVHTJUKPIL-YTQUADARSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034364093 1342434128 /nfs/dbraw/zinc/43/41/28/1342434128.db2.gz QIEZKVHTJUKPIL-YTQUADARSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCCC[NH+](CC=C(C)C)C2)C1 ZINC001034367951 1342437722 /nfs/dbraw/zinc/43/77/22/1342437722.db2.gz ITWXUYJIYGQSBV-MOPGFXCFSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCCC[N@H+](CC=C(C)C)C2)C1 ZINC001034367951 1342437723 /nfs/dbraw/zinc/43/77/23/1342437723.db2.gz ITWXUYJIYGQSBV-MOPGFXCFSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CC=C(C)C)C2)C1 ZINC001034367951 1342437725 /nfs/dbraw/zinc/43/77/25/1342437725.db2.gz ITWXUYJIYGQSBV-MOPGFXCFSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CCC3CCCCC3)C2)CC1 ZINC001034385358 1342453477 /nfs/dbraw/zinc/45/34/77/1342453477.db2.gz LFNTXAVHATUPKC-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034397752 1342464474 /nfs/dbraw/zinc/46/44/74/1342464474.db2.gz LEBPRZBGKVVDIC-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034397752 1342464476 /nfs/dbraw/zinc/46/44/76/1342464476.db2.gz LEBPRZBGKVVDIC-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034397752 1342464478 /nfs/dbraw/zinc/46/44/78/1342464478.db2.gz LEBPRZBGKVVDIC-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCCC[N@@H+](CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001034437035 1342498940 /nfs/dbraw/zinc/49/89/40/1342498940.db2.gz CUNKFBDUOXWBMS-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001034528541 1342585357 /nfs/dbraw/zinc/58/53/57/1342585357.db2.gz OZZSTBQYXMWKRQ-IBGZPJMESA-N 2 1 335.536 3.023 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034538135 1342595350 /nfs/dbraw/zinc/59/53/50/1342595350.db2.gz JCMRDWXZCGSEFD-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccsc2)C1 ZINC001034538135 1342595352 /nfs/dbraw/zinc/59/53/52/1342595352.db2.gz JCMRDWXZCGSEFD-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccsc2)C1 ZINC001034538135 1342595357 /nfs/dbraw/zinc/59/53/57/1342595357.db2.gz JCMRDWXZCGSEFD-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCCC[N@@H+](C/C=C\Cl)C2)c1 ZINC001034538689 1342596182 /nfs/dbraw/zinc/59/61/82/1342596182.db2.gz VILYILSUWAJJOO-TWVNLXSWSA-N 2 1 349.906 3.085 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034538314 1342596674 /nfs/dbraw/zinc/59/66/74/1342596674.db2.gz LNTRRPCEONJFRE-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034538314 1342596677 /nfs/dbraw/zinc/59/66/77/1342596677.db2.gz LNTRRPCEONJFRE-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034538314 1342596683 /nfs/dbraw/zinc/59/66/83/1342596683.db2.gz LNTRRPCEONJFRE-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034539075 1342598026 /nfs/dbraw/zinc/59/80/26/1342598026.db2.gz VEAQZMVNVLVIHV-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC001034539075 1342598028 /nfs/dbraw/zinc/59/80/28/1342598028.db2.gz VEAQZMVNVLVIHV-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC(C)(C)C)C1 ZINC001034539075 1342598029 /nfs/dbraw/zinc/59/80/29/1342598029.db2.gz VEAQZMVNVLVIHV-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](CC(C)C)C2)o1 ZINC001034543848 1342604884 /nfs/dbraw/zinc/60/48/84/1342604884.db2.gz BAQDWYKDROSQPC-QGZVFWFLSA-N 2 1 349.519 3.362 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001034738849 1342729961 /nfs/dbraw/zinc/72/99/61/1342729961.db2.gz WIYBGWNYEAEHCQ-AFYVEPGGSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)c1ccccc1 ZINC001034775484 1342753013 /nfs/dbraw/zinc/75/30/13/1342753013.db2.gz ASDJVFNERKTPHO-ZULIPRJHSA-N 2 1 343.515 3.106 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CCC3=CCCCC3)CC2)C1 ZINC001034775552 1342753393 /nfs/dbraw/zinc/75/33/93/1342753393.db2.gz CNKQUYKTOYDHHG-UFYCRDLUSA-N 2 1 347.547 3.236 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1 ZINC001034795996 1342762489 /nfs/dbraw/zinc/76/24/89/1342762489.db2.gz BBIDGQNJNFQGDE-BMOGMMAESA-N 2 1 343.515 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC2(CC[N@H+](CC(C)C)C2)CC1 ZINC001035200066 1343013407 /nfs/dbraw/zinc/01/34/07/1343013407.db2.gz WYIIUMUPMFSITQ-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035200066 1343013409 /nfs/dbraw/zinc/01/34/09/1343013409.db2.gz WYIIUMUPMFSITQ-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035200066 1343013416 /nfs/dbraw/zinc/01/34/16/1343013416.db2.gz WYIIUMUPMFSITQ-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C1CCCC1)CC2 ZINC001035219514 1343040006 /nfs/dbraw/zinc/04/00/06/1343040006.db2.gz XIHHFPZGJPTMJG-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)CC2 ZINC001035219514 1343040008 /nfs/dbraw/zinc/04/00/08/1343040008.db2.gz XIHHFPZGJPTMJG-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)CC2 ZINC001035219514 1343040015 /nfs/dbraw/zinc/04/00/15/1343040015.db2.gz XIHHFPZGJPTMJG-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC3(CC[NH+](CCC(C)(C)C)C3)CC2)C1 ZINC001035227136 1343048224 /nfs/dbraw/zinc/04/82/24/1343048224.db2.gz OOFXLISDXQGJBJ-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC3(CC[N@H+](CCC(C)(C)C)C3)CC2)C1 ZINC001035227136 1343048226 /nfs/dbraw/zinc/04/82/26/1343048226.db2.gz OOFXLISDXQGJBJ-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC3(CC[N@@H+](CCC(C)(C)C)C3)CC2)C1 ZINC001035227136 1343048232 /nfs/dbraw/zinc/04/82/32/1343048232.db2.gz OOFXLISDXQGJBJ-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCC3(CC[NH+](CCC(C)(C)C)C3)CC2)C1 ZINC001035247217 1343070615 /nfs/dbraw/zinc/07/06/15/1343070615.db2.gz TXYBWLCIYRBORL-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N2CCC3(CC[N@H+](CCC(C)(C)C)C3)CC2)C1 ZINC001035247217 1343070618 /nfs/dbraw/zinc/07/06/18/1343070618.db2.gz TXYBWLCIYRBORL-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N2CCC3(CC[N@@H+](CCC(C)(C)C)C3)CC2)C1 ZINC001035247217 1343070621 /nfs/dbraw/zinc/07/06/21/1343070621.db2.gz TXYBWLCIYRBORL-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035810213 1343210096 /nfs/dbraw/zinc/21/00/96/1343210096.db2.gz JSNFHFGHCHUQFF-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036717423 1343649069 /nfs/dbraw/zinc/64/90/69/1343649069.db2.gz VRUMTEYKNNMVTQ-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036793415 1343725663 /nfs/dbraw/zinc/72/56/63/1343725663.db2.gz DZZBNZLLUUWEDD-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036842082 1343780989 /nfs/dbraw/zinc/78/09/89/1343780989.db2.gz JXHVUFWBPCHSBR-WOJBJXKFSA-N 2 1 343.515 3.085 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CC2CCCC2)C1 ZINC001037240759 1344063257 /nfs/dbraw/zinc/06/32/57/1344063257.db2.gz MIJOIDLJDQDZTP-RTBURBONSA-N 2 1 349.563 3.173 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CC1CCCC1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038247117 1344343190 /nfs/dbraw/zinc/34/31/90/1344343190.db2.gz GNKSIFRLRFWVQH-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CC1CCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038247117 1344343192 /nfs/dbraw/zinc/34/31/92/1344343192.db2.gz GNKSIFRLRFWVQH-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CC1CCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038247117 1344343194 /nfs/dbraw/zinc/34/31/94/1344343194.db2.gz GNKSIFRLRFWVQH-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001038320220 1344378554 /nfs/dbraw/zinc/37/85/54/1344378554.db2.gz HJFQTMZKGVJDQY-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001038320220 1344378558 /nfs/dbraw/zinc/37/85/58/1344378558.db2.gz HJFQTMZKGVJDQY-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCC1 ZINC001038320220 1344378563 /nfs/dbraw/zinc/37/85/63/1344378563.db2.gz HJFQTMZKGVJDQY-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038467334 1344437512 /nfs/dbraw/zinc/43/75/12/1344437512.db2.gz ZHKAEQTZTAPWIG-QUCCMNQESA-N 2 1 348.450 3.290 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@@H]2CNC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC001038518642 1344462788 /nfs/dbraw/zinc/46/27/88/1344462788.db2.gz FAZLXCJJZBMMKY-OXJNMPFZSA-N 2 1 348.450 3.208 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001038780716 1344582158 /nfs/dbraw/zinc/58/21/58/1344582158.db2.gz MVTURGOCEGBNIY-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001038780716 1344582160 /nfs/dbraw/zinc/58/21/60/1344582160.db2.gz MVTURGOCEGBNIY-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCC1 ZINC001038782478 1344582605 /nfs/dbraw/zinc/58/26/05/1344582605.db2.gz UASUQPDSCXBDQM-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCC1 ZINC001038782478 1344582606 /nfs/dbraw/zinc/58/26/06/1344582606.db2.gz UASUQPDSCXBDQM-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001038782478 1344582608 /nfs/dbraw/zinc/58/26/08/1344582608.db2.gz UASUQPDSCXBDQM-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC(C)(C)C ZINC001038908412 1344646361 /nfs/dbraw/zinc/64/63/61/1344646361.db2.gz JYJQMKMQVKZXIL-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC(C)(C)C ZINC001038908412 1344646364 /nfs/dbraw/zinc/64/63/64/1344646364.db2.gz JYJQMKMQVKZXIL-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001038908412 1344646366 /nfs/dbraw/zinc/64/63/66/1344646366.db2.gz JYJQMKMQVKZXIL-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039112825 1344784767 /nfs/dbraw/zinc/78/47/67/1344784767.db2.gz IZGXFVDCSJOMDE-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039112825 1344784770 /nfs/dbraw/zinc/78/47/70/1344784770.db2.gz IZGXFVDCSJOMDE-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039112825 1344784775 /nfs/dbraw/zinc/78/47/75/1344784775.db2.gz IZGXFVDCSJOMDE-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001039232124 1344951688 /nfs/dbraw/zinc/95/16/88/1344951688.db2.gz SZSSIOTVZJTPGJ-VQTJNVASSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001039447788 1345072403 /nfs/dbraw/zinc/07/24/03/1345072403.db2.gz KAQLXYAFTPUQLL-AQNXPRMDSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040240043 1345390117 /nfs/dbraw/zinc/39/01/17/1345390117.db2.gz CFCZCCVTNSXJSX-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040240043 1345390120 /nfs/dbraw/zinc/39/01/20/1345390120.db2.gz CFCZCCVTNSXJSX-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040240043 1345390123 /nfs/dbraw/zinc/39/01/23/1345390123.db2.gz CFCZCCVTNSXJSX-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040242176 1345392506 /nfs/dbraw/zinc/39/25/06/1345392506.db2.gz WZDQBKNGQCKJDC-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040242176 1345392509 /nfs/dbraw/zinc/39/25/09/1345392509.db2.gz WZDQBKNGQCKJDC-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040242176 1345392512 /nfs/dbraw/zinc/39/25/12/1345392512.db2.gz WZDQBKNGQCKJDC-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040393422 1345473562 /nfs/dbraw/zinc/47/35/62/1345473562.db2.gz BOUXNXLUICNRTA-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040393422 1345473564 /nfs/dbraw/zinc/47/35/64/1345473564.db2.gz BOUXNXLUICNRTA-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040393422 1345473566 /nfs/dbraw/zinc/47/35/66/1345473566.db2.gz BOUXNXLUICNRTA-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2)[NH+](C)C ZINC001040398462 1345475509 /nfs/dbraw/zinc/47/55/09/1345475509.db2.gz ISYFOGZAERQPEI-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC1CCCC1)C2)[NH+](C)C ZINC001040398041 1345475700 /nfs/dbraw/zinc/47/57/00/1345475700.db2.gz CRZIWRXQMIVNKP-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC(C)(C)C1)C2)[NH+](C)C ZINC001040398836 1345476303 /nfs/dbraw/zinc/47/63/03/1345476303.db2.gz JRZVSQSUKGBMBQ-GHTZIAJQSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001040431380 1345493728 /nfs/dbraw/zinc/49/37/28/1345493728.db2.gz GYNHAJIISZKYIQ-HXUWFJFHSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001040431380 1345493732 /nfs/dbraw/zinc/49/37/32/1345493732.db2.gz GYNHAJIISZKYIQ-HXUWFJFHSA-N 2 1 346.519 3.121 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC(C)C)C2 ZINC001040544863 1345539535 /nfs/dbraw/zinc/53/95/35/1345539535.db2.gz LHXMKKDGYOLOGK-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC(C)C)C2 ZINC001040544863 1345539536 /nfs/dbraw/zinc/53/95/36/1345539536.db2.gz LHXMKKDGYOLOGK-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC(C)C)C2 ZINC001040544863 1345539540 /nfs/dbraw/zinc/53/95/40/1345539540.db2.gz LHXMKKDGYOLOGK-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545415 1345540585 /nfs/dbraw/zinc/54/05/85/1345540585.db2.gz PRDAJFSLSLKVJY-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001040757287 1345575697 /nfs/dbraw/zinc/57/56/97/1345575697.db2.gz QRMMGEODCQBZDS-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC001040948576 1345607467 /nfs/dbraw/zinc/60/74/67/1345607467.db2.gz UWPOQRWOSNMVHX-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CC=C(C)C)CC2 ZINC001040953240 1345609387 /nfs/dbraw/zinc/60/93/87/1345609387.db2.gz LYTWGIMTNGBDMV-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041278334 1345692222 /nfs/dbraw/zinc/69/22/22/1345692222.db2.gz URUCTWMSEAEMPZ-NQIIRXRSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001041278334 1345692228 /nfs/dbraw/zinc/69/22/28/1345692228.db2.gz URUCTWMSEAEMPZ-NQIIRXRSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001041278334 1345692230 /nfs/dbraw/zinc/69/22/30/1345692230.db2.gz URUCTWMSEAEMPZ-NQIIRXRSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041278333 1345692728 /nfs/dbraw/zinc/69/27/28/1345692728.db2.gz URUCTWMSEAEMPZ-GHTZIAJQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001041278333 1345692730 /nfs/dbraw/zinc/69/27/30/1345692730.db2.gz URUCTWMSEAEMPZ-GHTZIAJQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001041278333 1345692735 /nfs/dbraw/zinc/69/27/35/1345692735.db2.gz URUCTWMSEAEMPZ-GHTZIAJQSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041599594 1345788217 /nfs/dbraw/zinc/78/82/17/1345788217.db2.gz IGRLSJWLYZPQDU-HFSMHLIXSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001041599594 1345788218 /nfs/dbraw/zinc/78/82/18/1345788218.db2.gz IGRLSJWLYZPQDU-HFSMHLIXSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001041599594 1345788220 /nfs/dbraw/zinc/78/82/20/1345788220.db2.gz IGRLSJWLYZPQDU-HFSMHLIXSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041756415 1345840938 /nfs/dbraw/zinc/84/09/38/1345840938.db2.gz HOEVAFKLQDVGMP-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042085179 1345940408 /nfs/dbraw/zinc/94/04/08/1345940408.db2.gz LJKVREPBTATKOC-DOTOQJQBSA-N 2 1 349.544 3.002 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042085179 1345940409 /nfs/dbraw/zinc/94/04/09/1345940409.db2.gz LJKVREPBTATKOC-DOTOQJQBSA-N 2 1 349.544 3.002 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001042715423 1346109530 /nfs/dbraw/zinc/10/95/30/1346109530.db2.gz YDMWIACGECXCJN-YLJYHZDGSA-N 2 1 343.515 3.071 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001042715423 1346109531 /nfs/dbraw/zinc/10/95/31/1346109531.db2.gz YDMWIACGECXCJN-YLJYHZDGSA-N 2 1 343.515 3.071 20 0 EGADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001044336762 1346301481 /nfs/dbraw/zinc/30/14/81/1346301481.db2.gz VEMNCETYKUDSHS-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001044336762 1346301482 /nfs/dbraw/zinc/30/14/82/1346301482.db2.gz VEMNCETYKUDSHS-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044630354 1346388000 /nfs/dbraw/zinc/38/80/00/1346388000.db2.gz VURIZRPUFLZGAV-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001044742537 1346418516 /nfs/dbraw/zinc/41/85/16/1346418516.db2.gz HXEUSHQVSQNXKU-HKUYNNGSSA-N 2 1 347.547 3.188 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1csc(C)c1 ZINC001045322390 1346559979 /nfs/dbraw/zinc/55/99/79/1346559979.db2.gz PHWLAXFVHKHMCY-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCC(C)(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC001045390269 1346580653 /nfs/dbraw/zinc/58/06/53/1346580653.db2.gz PQOAASARMVAOGG-MJGOQNOKSA-N 2 1 343.515 3.121 20 0 EGADMP CC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC[NH+](CC2CCCC2)CC1 ZINC001045585051 1346637733 /nfs/dbraw/zinc/63/77/33/1346637733.db2.gz MHSHVQKIZUBPHV-MOPGFXCFSA-N 2 1 347.547 3.164 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1)C1CCC1 ZINC001045794875 1346700389 /nfs/dbraw/zinc/70/03/89/1346700389.db2.gz DKJVXFCBQHGHCO-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1)C1CCC1 ZINC001045794875 1346700391 /nfs/dbraw/zinc/70/03/91/1346700391.db2.gz DKJVXFCBQHGHCO-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1)C1CCC1 ZINC001045794875 1346700393 /nfs/dbraw/zinc/70/03/93/1346700393.db2.gz DKJVXFCBQHGHCO-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045944216 1346780262 /nfs/dbraw/zinc/78/02/62/1346780262.db2.gz ZZCTWXOBPHPSOK-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045944216 1346780264 /nfs/dbraw/zinc/78/02/64/1346780264.db2.gz ZZCTWXOBPHPSOK-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001045944216 1346780265 /nfs/dbraw/zinc/78/02/65/1346780265.db2.gz ZZCTWXOBPHPSOK-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1)[NH+](C)C ZINC001045945650 1346781458 /nfs/dbraw/zinc/78/14/58/1346781458.db2.gz WFFPAYUPQOPHTK-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045966036 1346801317 /nfs/dbraw/zinc/80/13/17/1346801317.db2.gz YIVFACXBHQYSGK-QUCCMNQESA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001045972563 1346808481 /nfs/dbraw/zinc/80/84/81/1346808481.db2.gz DSXSKEOASMAEHB-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001045972563 1346808484 /nfs/dbraw/zinc/80/84/84/1346808484.db2.gz DSXSKEOASMAEHB-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001045972563 1346808488 /nfs/dbraw/zinc/80/84/88/1346808488.db2.gz DSXSKEOASMAEHB-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001045974107 1346810167 /nfs/dbraw/zinc/81/01/67/1346810167.db2.gz YEUAUHCBESYHCK-TZIWHRDSSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001045974107 1346810172 /nfs/dbraw/zinc/81/01/72/1346810172.db2.gz YEUAUHCBESYHCK-TZIWHRDSSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CC)C2)C1 ZINC001045978716 1346815137 /nfs/dbraw/zinc/81/51/37/1346815137.db2.gz GNUTVBYASRZZCA-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CC)C2)C1 ZINC001045978716 1346815139 /nfs/dbraw/zinc/81/51/39/1346815139.db2.gz GNUTVBYASRZZCA-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CC)C2)C1 ZINC001045978716 1346815141 /nfs/dbraw/zinc/81/51/41/1346815141.db2.gz GNUTVBYASRZZCA-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045982482 1346821922 /nfs/dbraw/zinc/82/19/22/1346821922.db2.gz AKELMTQPNIZBHQ-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001045987196 1346828236 /nfs/dbraw/zinc/82/82/36/1346828236.db2.gz LOBOKJSLAUSPHI-CTNGQTDRSA-N 2 1 343.515 3.014 20 0 EGADMP CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001045987196 1346828239 /nfs/dbraw/zinc/82/82/39/1346828239.db2.gz LOBOKJSLAUSPHI-CTNGQTDRSA-N 2 1 343.515 3.014 20 0 EGADMP C[C@]1(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+](CCC2CC2)C1 ZINC001046315509 1346931441 /nfs/dbraw/zinc/93/14/41/1346931441.db2.gz XBORKRGPRDGANX-NQIIRXRSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@]1(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+](CCC2CC2)C1 ZINC001046315509 1346931443 /nfs/dbraw/zinc/93/14/43/1346931443.db2.gz XBORKRGPRDGANX-NQIIRXRSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@]1(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](CCC2CC2)C1 ZINC001046315509 1346931444 /nfs/dbraw/zinc/93/14/44/1346931444.db2.gz XBORKRGPRDGANX-NQIIRXRSSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CC2CCCCC2)C1 ZINC001046316368 1346932271 /nfs/dbraw/zinc/93/22/71/1346932271.db2.gz PFILETUHEMVOKV-QUCCMNQESA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CC2CCCCC2)C1 ZINC001046316368 1346932274 /nfs/dbraw/zinc/93/22/74/1346932274.db2.gz PFILETUHEMVOKV-QUCCMNQESA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC2CCCCC2)C1 ZINC001046316368 1346932277 /nfs/dbraw/zinc/93/22/77/1346932277.db2.gz PFILETUHEMVOKV-QUCCMNQESA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@]2(C)CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001046561950 1347018079 /nfs/dbraw/zinc/01/80/79/1347018079.db2.gz JYCMGIBOPRLRIV-WIYYLYMNSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@]2(C)CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001046561950 1347018082 /nfs/dbraw/zinc/01/80/82/1347018082.db2.gz JYCMGIBOPRLRIV-WIYYLYMNSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001046561950 1347018083 /nfs/dbraw/zinc/01/80/83/1347018083.db2.gz JYCMGIBOPRLRIV-WIYYLYMNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CCC(C)(C)C)C2)cc1 ZINC001046707097 1347068848 /nfs/dbraw/zinc/06/88/48/1347068848.db2.gz OUXDIHLQIQVDPM-OAQYLSRUSA-N 2 1 345.531 3.379 20 0 EGADMP C[C@@]1(NC(=O)[C@@]23CC[NH+](C2)CCC3)CC[N@@H+](CCC2CCCCC2)C1 ZINC001046806873 1347112306 /nfs/dbraw/zinc/11/23/06/1347112306.db2.gz UYRPAQICKJJVQG-RTWAWAEBSA-N 2 1 347.547 3.023 20 0 EGADMP C[C@@]1(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC[NH+](CCC2CCCCC2)C1 ZINC001046806873 1347112309 /nfs/dbraw/zinc/11/23/09/1347112309.db2.gz UYRPAQICKJJVQG-RTWAWAEBSA-N 2 1 347.547 3.023 20 0 EGADMP C[C@@]1(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC[NH+](CCC2CCCCC2)C1 ZINC001046806873 1347112310 /nfs/dbraw/zinc/11/23/10/1347112310.db2.gz UYRPAQICKJJVQG-RTWAWAEBSA-N 2 1 347.547 3.023 20 0 EGADMP CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCC1)C2)[NH+]1CCCC1 ZINC001047120245 1347212448 /nfs/dbraw/zinc/21/24/48/1347212448.db2.gz CKEFFFPPUODFLI-FHWLQOOXSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001047240953 1347266751 /nfs/dbraw/zinc/26/67/51/1347266751.db2.gz LYMCNXBYNXJZDA-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047244431 1347270048 /nfs/dbraw/zinc/27/00/48/1347270048.db2.gz RCIVEHHKUPAJFT-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001047257178 1347280054 /nfs/dbraw/zinc/28/00/54/1347280054.db2.gz PFZQDCFRHVJQNQ-UYAOXDASSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001048282326 1347509437 /nfs/dbraw/zinc/50/94/37/1347509437.db2.gz ZXKGNOSPVISHLE-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001048589823 1347609045 /nfs/dbraw/zinc/60/90/45/1347609045.db2.gz AQNJPRNIBNUDMX-UHZRXMQZSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001048589823 1347609046 /nfs/dbraw/zinc/60/90/46/1347609046.db2.gz AQNJPRNIBNUDMX-UHZRXMQZSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001048589823 1347609047 /nfs/dbraw/zinc/60/90/47/1347609047.db2.gz AQNJPRNIBNUDMX-UHZRXMQZSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049478561 1347868552 /nfs/dbraw/zinc/86/85/52/1347868552.db2.gz PTZVZCFRXGFZQL-FHWLQOOXSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCC2CCCC2)CCC1 ZINC001049517668 1347888620 /nfs/dbraw/zinc/88/86/20/1347888620.db2.gz LUQXJRAXESVTFW-OALUTQOASA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049563807 1347911458 /nfs/dbraw/zinc/91/14/58/1347911458.db2.gz DTSXFRXOIZWMHO-VAMGGRTRSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001049563807 1347911460 /nfs/dbraw/zinc/91/14/60/1347911460.db2.gz DTSXFRXOIZWMHO-VAMGGRTRSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001049563807 1347911462 /nfs/dbraw/zinc/91/14/62/1347911462.db2.gz DTSXFRXOIZWMHO-VAMGGRTRSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCC(C)(C)C)CC[N@H+]1C ZINC001049671458 1347965712 /nfs/dbraw/zinc/96/57/12/1347965712.db2.gz LJSUGPPUNPZGMC-INDMIFKZSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001049671458 1347965713 /nfs/dbraw/zinc/96/57/13/1347965713.db2.gz LJSUGPPUNPZGMC-INDMIFKZSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001049671458 1347965715 /nfs/dbraw/zinc/96/57/15/1347965715.db2.gz LJSUGPPUNPZGMC-INDMIFKZSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCC(C)(C)C)CC[N@H+]1C ZINC001049671457 1347965924 /nfs/dbraw/zinc/96/59/24/1347965924.db2.gz LJSUGPPUNPZGMC-CADBVGFASA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001049671457 1347965926 /nfs/dbraw/zinc/96/59/26/1347965926.db2.gz LJSUGPPUNPZGMC-CADBVGFASA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001049671457 1347965927 /nfs/dbraw/zinc/96/59/27/1347965927.db2.gz LJSUGPPUNPZGMC-CADBVGFASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC(C)(C)C)[NH+](C)C ZINC001049703662 1347981365 /nfs/dbraw/zinc/98/13/65/1347981365.db2.gz LXKGBBOBAYZDQJ-RCCFBDPRSA-N 2 1 337.552 3.074 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCC(C)(C)C)CC1 ZINC001049804689 1348027827 /nfs/dbraw/zinc/02/78/27/1348027827.db2.gz HLDBYURNMQSYSH-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1=CCCCC1 ZINC001049897877 1348098896 /nfs/dbraw/zinc/09/88/96/1348098896.db2.gz VFPVCBRWFJBCGR-PMACEKPBSA-N 2 1 345.531 3.038 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049913992 1348109018 /nfs/dbraw/zinc/10/90/18/1348109018.db2.gz LCCJICDJAXBJBM-AQNXPRMDSA-N 2 1 349.563 3.218 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001050331449 1348229310 /nfs/dbraw/zinc/22/93/10/1348229310.db2.gz OZZDVAJMDKVTAM-UFYCRDLUSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001050765450 1348351892 /nfs/dbraw/zinc/35/18/92/1348351892.db2.gz QMGMUPKQMQXOJA-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCc2c(CNC(=O)c3ccn4c[nH+]cc4c3)cccc2C1 ZINC001051292727 1348422266 /nfs/dbraw/zinc/42/22/66/1348422266.db2.gz DCXCJKUUVZYLRK-UHFFFAOYSA-N 2 1 348.450 3.032 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001052499155 1348559427 /nfs/dbraw/zinc/55/94/27/1348559427.db2.gz OTAHAYHHFZJCRW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001052499155 1348559428 /nfs/dbraw/zinc/55/94/28/1348559428.db2.gz OTAHAYHHFZJCRW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001052499155 1348559430 /nfs/dbraw/zinc/55/94/30/1348559430.db2.gz OTAHAYHHFZJCRW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccc2c[nH+]cn2c1 ZINC001052561965 1348579834 /nfs/dbraw/zinc/57/98/34/1348579834.db2.gz GMXXXHFSOPUWSA-LJQANCHMSA-N 2 1 348.450 3.119 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC001052562625 1348580467 /nfs/dbraw/zinc/58/04/67/1348580467.db2.gz XANSKXVHNYKLJT-LJQANCHMSA-N 2 1 344.503 3.053 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC001052562625 1348580469 /nfs/dbraw/zinc/58/04/69/1348580469.db2.gz XANSKXVHNYKLJT-LJQANCHMSA-N 2 1 344.503 3.053 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1)[NH+]1CCCC1 ZINC001052621251 1348598352 /nfs/dbraw/zinc/59/83/52/1348598352.db2.gz ZFTUCQHMRDOUAX-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)cs1 ZINC001052716869 1348646342 /nfs/dbraw/zinc/64/63/42/1348646342.db2.gz QDYYPBLWYGQCJW-MAUKXSAKSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)CC2)cs1 ZINC001052716869 1348646344 /nfs/dbraw/zinc/64/63/44/1348646344.db2.gz QDYYPBLWYGQCJW-MAUKXSAKSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)CC2)cs1 ZINC001052716869 1348646345 /nfs/dbraw/zinc/64/63/45/1348646345.db2.gz QDYYPBLWYGQCJW-MAUKXSAKSA-N 2 1 349.544 3.012 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC001052717295 1348646689 /nfs/dbraw/zinc/64/66/89/1348646689.db2.gz VNKGTUSZRGAUBG-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC001052717295 1348646692 /nfs/dbraw/zinc/64/66/92/1348646692.db2.gz VNKGTUSZRGAUBG-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC001052717295 1348646695 /nfs/dbraw/zinc/64/66/95/1348646695.db2.gz VNKGTUSZRGAUBG-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052762754 1348668025 /nfs/dbraw/zinc/66/80/25/1348668025.db2.gz BQUDEYVEABQDKM-RTBURBONSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052762754 1348668028 /nfs/dbraw/zinc/66/80/28/1348668028.db2.gz BQUDEYVEABQDKM-RTBURBONSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052762754 1348668032 /nfs/dbraw/zinc/66/80/32/1348668032.db2.gz BQUDEYVEABQDKM-RTBURBONSA-N 2 1 335.536 3.186 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1)[C@@]12CC[NH+](C1)CCC2 ZINC001052901652 1348734907 /nfs/dbraw/zinc/73/49/07/1348734907.db2.gz UYYSAGMZGKJNRV-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CC2CCCCC2)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001052901652 1348734910 /nfs/dbraw/zinc/73/49/10/1348734910.db2.gz UYYSAGMZGKJNRV-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CC2CCCCC2)CC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001052901652 1348734915 /nfs/dbraw/zinc/73/49/15/1348734915.db2.gz UYYSAGMZGKJNRV-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CCC3CCCCCC3)CC2)C1 ZINC001052936225 1348755740 /nfs/dbraw/zinc/75/57/40/1348755740.db2.gz YXCUIEFVBOIXPN-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](CCC3CCCCCC3)CC2)C1 ZINC001052936225 1348755742 /nfs/dbraw/zinc/75/57/42/1348755742.db2.gz YXCUIEFVBOIXPN-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCC3CCCCCC3)CC2)C1 ZINC001052936225 1348755743 /nfs/dbraw/zinc/75/57/43/1348755743.db2.gz YXCUIEFVBOIXPN-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052955066 1348768471 /nfs/dbraw/zinc/76/84/71/1348768471.db2.gz YGWZEUXWPHVHFB-YLJYHZDGSA-N 2 1 345.531 3.379 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+](CC3CCC3)CC2)c1 ZINC001052954973 1348768759 /nfs/dbraw/zinc/76/87/59/1348768759.db2.gz XNLWSLDUISSYOC-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001052955567 1348770033 /nfs/dbraw/zinc/77/00/33/1348770033.db2.gz HHXYJMXYSIJISW-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001052955567 1348770037 /nfs/dbraw/zinc/77/00/37/1348770037.db2.gz HHXYJMXYSIJISW-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001052955567 1348770039 /nfs/dbraw/zinc/77/00/39/1348770039.db2.gz HHXYJMXYSIJISW-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC(C)C)CC1 ZINC001052990405 1348790187 /nfs/dbraw/zinc/79/01/87/1348790187.db2.gz BOUWUPMNUQVNDY-KDURUIRLSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC(C)C)CC1 ZINC001052990405 1348790189 /nfs/dbraw/zinc/79/01/89/1348790189.db2.gz BOUWUPMNUQVNDY-KDURUIRLSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053038664 1348839791 /nfs/dbraw/zinc/83/97/91/1348839791.db2.gz ABPDNMWPOBUCQB-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001053038664 1348839793 /nfs/dbraw/zinc/83/97/93/1348839793.db2.gz ABPDNMWPOBUCQB-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001053038664 1348839797 /nfs/dbraw/zinc/83/97/97/1348839797.db2.gz ABPDNMWPOBUCQB-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050625 1348853507 /nfs/dbraw/zinc/85/35/07/1348853507.db2.gz GSRIJBNYYZPBLF-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053055065 1348862791 /nfs/dbraw/zinc/86/27/91/1348862791.db2.gz VHGYGUKEKMNADB-WOJBJXKFSA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001053090780 1348916066 /nfs/dbraw/zinc/91/60/66/1348916066.db2.gz IODSOGRNDZELKF-HKUYNNGSSA-N 2 1 340.471 3.061 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001054140632 1349152226 /nfs/dbraw/zinc/15/22/26/1349152226.db2.gz RHOLMJSTFXQLOR-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001054140632 1349152231 /nfs/dbraw/zinc/15/22/31/1349152231.db2.gz RHOLMJSTFXQLOR-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCC(C)C)C2)C1 ZINC001054140632 1349152232 /nfs/dbraw/zinc/15/22/32/1349152232.db2.gz RHOLMJSTFXQLOR-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001054183708 1349186941 /nfs/dbraw/zinc/18/69/41/1349186941.db2.gz OQNGWMDMTXBTLE-CTNGQTDRSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001054183708 1349186942 /nfs/dbraw/zinc/18/69/42/1349186942.db2.gz OQNGWMDMTXBTLE-CTNGQTDRSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001054183708 1349186945 /nfs/dbraw/zinc/18/69/45/1349186945.db2.gz OQNGWMDMTXBTLE-CTNGQTDRSA-N 2 1 347.547 3.118 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@]3(CC[NH+](CCC(C)(C)C)C3)C2)C1 ZINC001054197389 1349199117 /nfs/dbraw/zinc/19/91/17/1349199117.db2.gz ARPRJMZSUOHLQH-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@]3(CC[N@H+](CCC(C)(C)C)C3)C2)C1 ZINC001054197389 1349199118 /nfs/dbraw/zinc/19/91/18/1349199118.db2.gz ARPRJMZSUOHLQH-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)C1 ZINC001054197389 1349199120 /nfs/dbraw/zinc/19/91/20/1349199120.db2.gz ARPRJMZSUOHLQH-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246403 1349241025 /nfs/dbraw/zinc/24/10/25/1349241025.db2.gz YMTORSAGEVWWBO-PZJWPPBQSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246403 1349241026 /nfs/dbraw/zinc/24/10/26/1349241026.db2.gz YMTORSAGEVWWBO-PZJWPPBQSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254977 1357537519 /nfs/dbraw/zinc/53/75/19/1357537519.db2.gz KTDFLQYNRLQADM-IEBWSBKVSA-N 2 1 347.547 3.188 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H](C)c2ccccc2)C1 ZINC001183082420 1387259455 /nfs/dbraw/zinc/25/94/55/1387259455.db2.gz UPHJDWLJNYLEPO-DBXWQHBBSA-N 2 1 345.531 3.164 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CC1CCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984440 1358937524 /nfs/dbraw/zinc/93/75/24/1358937524.db2.gz DCOBIQJPUHJEQQ-HXUWFJFHSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)C[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001071547006 1354759852 /nfs/dbraw/zinc/75/98/52/1354759852.db2.gz QAALSVAACMKQMN-ZBFHGGJFSA-N 2 1 337.533 3.048 20 0 EGADMP CC(C)C[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001071547006 1354759856 /nfs/dbraw/zinc/75/98/56/1354759856.db2.gz QAALSVAACMKQMN-ZBFHGGJFSA-N 2 1 337.533 3.048 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[N@H+]1CC1CCCC1 ZINC001071600062 1354787600 /nfs/dbraw/zinc/78/76/00/1354787600.db2.gz FMGJMLMVCDUGEU-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CC1=CCCCC1 ZINC001071821290 1354961161 /nfs/dbraw/zinc/96/11/61/1354961161.db2.gz MEOLKTLSNGOGFY-PKOBYXMFSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CC1=CCCCC1 ZINC001071821290 1354961167 /nfs/dbraw/zinc/96/11/67/1354961167.db2.gz MEOLKTLSNGOGFY-PKOBYXMFSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CC1=CCCCC1 ZINC001071821290 1354961175 /nfs/dbraw/zinc/96/11/75/1354961175.db2.gz MEOLKTLSNGOGFY-PKOBYXMFSA-N 2 1 347.547 3.188 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001071919812 1355024548 /nfs/dbraw/zinc/02/45/48/1355024548.db2.gz IGADZJKBZJQZQW-IEBWSBKVSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC3CCCC3)C2)CC1 ZINC001071954572 1355041170 /nfs/dbraw/zinc/04/11/70/1355041170.db2.gz QWGRFCWMSVFKCK-PXNSSMCTSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001071998196 1355065780 /nfs/dbraw/zinc/06/57/80/1355065780.db2.gz HHYRGHXNVDHLKX-NVXWUHKLSA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001071998196 1355065782 /nfs/dbraw/zinc/06/57/82/1355065782.db2.gz HHYRGHXNVDHLKX-NVXWUHKLSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CCCC1CCCC1 ZINC001072081379 1355119424 /nfs/dbraw/zinc/11/94/24/1355119424.db2.gz KRKXHMQOSMOKMF-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001072084410 1355120232 /nfs/dbraw/zinc/12/02/32/1355120232.db2.gz BPPVZTVCFDCTMZ-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001072084410 1355120234 /nfs/dbraw/zinc/12/02/34/1355120234.db2.gz BPPVZTVCFDCTMZ-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@H+]1CCC1CC1 ZINC001072096222 1355127281 /nfs/dbraw/zinc/12/72/81/1355127281.db2.gz VPTBSSIULBRKTB-UZLBHIALSA-N 2 1 343.515 3.131 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CCC(C)(C)C)C3)C1 ZINC001073125680 1355610411 /nfs/dbraw/zinc/61/04/11/1355610411.db2.gz FDVOQSOXBVHPCH-QZTJIDSGSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001183240617 1387283780 /nfs/dbraw/zinc/28/37/80/1387283780.db2.gz MSPSDXNNLNECKY-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC001074063778 1356061927 /nfs/dbraw/zinc/06/19/27/1356061927.db2.gz SXVUXPJNIWKAOA-PKOBYXMFSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC001074063778 1356061929 /nfs/dbraw/zinc/06/19/29/1356061929.db2.gz SXVUXPJNIWKAOA-PKOBYXMFSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC001074063778 1356061933 /nfs/dbraw/zinc/06/19/33/1356061933.db2.gz SXVUXPJNIWKAOA-PKOBYXMFSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CC2CCC2)CCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001074653766 1356221117 /nfs/dbraw/zinc/22/11/17/1356221117.db2.gz NJCOAFYOVHUCKT-HQRMLTQVSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCCC3)[C@@H]2C)CC[N@H+]1C ZINC001074663105 1356222334 /nfs/dbraw/zinc/22/23/34/1356222334.db2.gz IKBACSJSYXLJDH-FRYIKTPZSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001082544432 1358057203 /nfs/dbraw/zinc/05/72/03/1358057203.db2.gz CLFSQJINENFTGT-RLLQIKCJSA-N 2 1 347.547 3.188 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084345891 1358197117 /nfs/dbraw/zinc/19/71/17/1358197117.db2.gz SRVXMAHOGMMFRZ-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCC2)C1 ZINC001085306762 1358461579 /nfs/dbraw/zinc/46/15/79/1358461579.db2.gz PIJRDOZVSNOQGF-XUVXKRRUSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2=CCCCC2)C1 ZINC001085332660 1358470437 /nfs/dbraw/zinc/47/04/37/1358470437.db2.gz HSFRWGSTQUCIBQ-MISYRCLQSA-N 2 1 347.547 3.236 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCCC2CCC2)C1 ZINC001085639840 1358653932 /nfs/dbraw/zinc/65/39/32/1358653932.db2.gz XDGULNHCPRYXAL-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCCC2CCC2)C1 ZINC001085639840 1358653936 /nfs/dbraw/zinc/65/39/36/1358653936.db2.gz XDGULNHCPRYXAL-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCCC2CCC2)C1 ZINC001085639840 1358653940 /nfs/dbraw/zinc/65/39/40/1358653940.db2.gz XDGULNHCPRYXAL-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001085685924 1358686527 /nfs/dbraw/zinc/68/65/27/1358686527.db2.gz FFIJKSYUDAJANZ-SFHVURJKSA-N 2 1 342.487 3.225 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001085687096 1358688468 /nfs/dbraw/zinc/68/84/68/1358688468.db2.gz ICGCLECFZDFCRO-RTBURBONSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001085687096 1358688470 /nfs/dbraw/zinc/68/84/70/1358688470.db2.gz ICGCLECFZDFCRO-RTBURBONSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001085687096 1358688474 /nfs/dbraw/zinc/68/84/74/1358688474.db2.gz ICGCLECFZDFCRO-RTBURBONSA-N 2 1 349.563 3.076 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001183826036 1387355030 /nfs/dbraw/zinc/35/50/30/1387355030.db2.gz FMFXOOYSLDBRJJ-JTGQJZMRSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCC1 ZINC001085856446 1358824370 /nfs/dbraw/zinc/82/43/70/1358824370.db2.gz ZBRPJQNQISLVLL-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC001085856446 1358824375 /nfs/dbraw/zinc/82/43/75/1358824375.db2.gz ZBRPJQNQISLVLL-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001085856446 1358824380 /nfs/dbraw/zinc/82/43/80/1358824380.db2.gz ZBRPJQNQISLVLL-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCC(C)(C)C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917169 1358877315 /nfs/dbraw/zinc/87/73/15/1358877315.db2.gz SAUHXULUFSZRQE-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086102292 1358997736 /nfs/dbraw/zinc/99/77/36/1358997736.db2.gz QFJXUDNATVYHAZ-VWAQSERHSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001086102349 1358997894 /nfs/dbraw/zinc/99/78/94/1358997894.db2.gz SCYSEHWHHRHVGM-HSALFYBXSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086198666 1359025002 /nfs/dbraw/zinc/02/50/02/1359025002.db2.gz ASVRKZPHANJVDX-IJXRJRJASA-N 2 1 349.563 3.029 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086497288 1359120429 /nfs/dbraw/zinc/12/04/29/1359120429.db2.gz FZCKMLXHYPGTCR-BHIYHBOVSA-N 2 1 349.563 3.170 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086711790 1359190185 /nfs/dbraw/zinc/19/01/85/1359190185.db2.gz BLXCTGUAWXREFB-XUVXKRRUSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCC1 ZINC001087175045 1359313480 /nfs/dbraw/zinc/31/34/80/1359313480.db2.gz SPFCEPQTUYCIHL-HOJAQTOUSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001184098945 1387392321 /nfs/dbraw/zinc/39/23/21/1387392321.db2.gz KLZYMZPNZWMSKN-QUCCMNQESA-N 2 1 343.515 3.156 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC001184098945 1387392324 /nfs/dbraw/zinc/39/23/24/1387392324.db2.gz KLZYMZPNZWMSKN-QUCCMNQESA-N 2 1 343.515 3.156 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001087523390 1359509816 /nfs/dbraw/zinc/50/98/16/1359509816.db2.gz UNCUVUIMVWKLQG-IPMKNSEASA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CC1CCC(C)(C)CC1 ZINC001087523390 1359509818 /nfs/dbraw/zinc/50/98/18/1359509818.db2.gz UNCUVUIMVWKLQG-IPMKNSEASA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CC1CCC(C)(C)CC1 ZINC001087523390 1359509821 /nfs/dbraw/zinc/50/98/21/1359509821.db2.gz UNCUVUIMVWKLQG-IPMKNSEASA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1CC ZINC001087593668 1359547242 /nfs/dbraw/zinc/54/72/42/1359547242.db2.gz QDTVZTQZHKYCRM-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)[C@@H]1CC ZINC001087593668 1359547248 /nfs/dbraw/zinc/54/72/48/1359547248.db2.gz QDTVZTQZHKYCRM-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)[C@@H]1CC ZINC001087593668 1359547251 /nfs/dbraw/zinc/54/72/51/1359547251.db2.gz QDTVZTQZHKYCRM-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602610 1359551228 /nfs/dbraw/zinc/55/12/28/1359551228.db2.gz WLTFZYGMBPJGKA-OTWHNJEPSA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087602610 1359551234 /nfs/dbraw/zinc/55/12/34/1359551234.db2.gz WLTFZYGMBPJGKA-OTWHNJEPSA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087602610 1359551236 /nfs/dbraw/zinc/55/12/36/1359551236.db2.gz WLTFZYGMBPJGKA-OTWHNJEPSA-N 2 1 335.536 3.163 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC[N@H+]1CC1CCCC1 ZINC001087636314 1359565459 /nfs/dbraw/zinc/56/54/59/1359565459.db2.gz KLGUANOXAQLEOE-XUVXKRRUSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC[NH+]1CC1CCCC1 ZINC001087636314 1359565463 /nfs/dbraw/zinc/56/54/63/1359565463.db2.gz KLGUANOXAQLEOE-XUVXKRRUSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC[NH+]1CC1CCCC1 ZINC001087636314 1359565467 /nfs/dbraw/zinc/56/54/67/1359565467.db2.gz KLGUANOXAQLEOE-XUVXKRRUSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@H+]1CCC1CCCCC1 ZINC001087726768 1359613759 /nfs/dbraw/zinc/61/37/59/1359613759.db2.gz RNCZUQDTFZISSK-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC[NH+]1CCC1CCCCC1 ZINC001087726768 1359613763 /nfs/dbraw/zinc/61/37/63/1359613763.db2.gz RNCZUQDTFZISSK-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC[NH+]1CCC1CCCCC1 ZINC001087726768 1359613766 /nfs/dbraw/zinc/61/37/66/1359613766.db2.gz RNCZUQDTFZISSK-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1CC[C@@H](C)F ZINC001087840730 1359674982 /nfs/dbraw/zinc/67/49/82/1359674982.db2.gz LAAHOTQWVPRCLE-AYOQOUSVSA-N 2 1 349.494 3.079 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1 ZINC001088394785 1359870872 /nfs/dbraw/zinc/87/08/72/1359870872.db2.gz ONGRHUZUOIXGEX-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001088425373 1359893730 /nfs/dbraw/zinc/89/37/30/1359893730.db2.gz ULLTZBDGGBYPOH-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001088431265 1359899133 /nfs/dbraw/zinc/89/91/33/1359899133.db2.gz NZNHJCYPBFGPTK-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)[C@@H]1C ZINC001088563841 1359974639 /nfs/dbraw/zinc/97/46/39/1359974639.db2.gz ISXFRVNMRZEWJJ-YZGWKJHDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)[C@@H]1C ZINC001088563841 1359974643 /nfs/dbraw/zinc/97/46/43/1359974643.db2.gz ISXFRVNMRZEWJJ-YZGWKJHDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)[C@@H]1C ZINC001088563841 1359974645 /nfs/dbraw/zinc/97/46/45/1359974645.db2.gz ISXFRVNMRZEWJJ-YZGWKJHDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001088563337 1359974717 /nfs/dbraw/zinc/97/47/17/1359974717.db2.gz MYVAMUHVVCDVOO-NEWSRXKRSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1C ZINC001088563337 1359974731 /nfs/dbraw/zinc/97/47/31/1359974731.db2.gz MYVAMUHVVCDVOO-NEWSRXKRSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1C ZINC001088563337 1359974735 /nfs/dbraw/zinc/97/47/35/1359974735.db2.gz MYVAMUHVVCDVOO-NEWSRXKRSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CC1=CCCCC1 ZINC001088567566 1359977019 /nfs/dbraw/zinc/97/70/19/1359977019.db2.gz VYRSDVZRLCJPQC-MJGOQNOKSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001088667194 1360007386 /nfs/dbraw/zinc/00/73/86/1360007386.db2.gz YNYUJXLRTLOZGG-NZSAHSFTSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CC1CCC2(CC2)CC1 ZINC001088667194 1360007390 /nfs/dbraw/zinc/00/73/90/1360007390.db2.gz YNYUJXLRTLOZGG-NZSAHSFTSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CC1CCC2(CC2)CC1 ZINC001088667194 1360007394 /nfs/dbraw/zinc/00/73/94/1360007394.db2.gz YNYUJXLRTLOZGG-NZSAHSFTSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CC1CCC2(CC2)CC1 ZINC001088667194 1360007396 /nfs/dbraw/zinc/00/73/96/1360007396.db2.gz YNYUJXLRTLOZGG-NZSAHSFTSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1CC1=CCCCC1 ZINC001088709756 1360017204 /nfs/dbraw/zinc/01/72/04/1360017204.db2.gz SYWBYKCVCNHFEV-BEFAXECRSA-N 2 1 338.455 3.027 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCCCC3)[C@@H]2C)C1 ZINC001088810118 1360059158 /nfs/dbraw/zinc/05/91/58/1360059158.db2.gz HHNWONMGFFAXPV-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CCCCC3)[C@@H]2C)C1 ZINC001088810118 1360059161 /nfs/dbraw/zinc/05/91/61/1360059161.db2.gz HHNWONMGFFAXPV-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)[C@@H]2C)C1 ZINC001088810118 1360059167 /nfs/dbraw/zinc/05/91/67/1360059167.db2.gz HHNWONMGFFAXPV-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC3=CCCCC3)[C@@H]2C)C1 ZINC001088811085 1360060304 /nfs/dbraw/zinc/06/03/04/1360060304.db2.gz KIECPCYUPYUGKX-HOJAQTOUSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CC3=CCCCC3)[C@@H]2C)C1 ZINC001088811085 1360060307 /nfs/dbraw/zinc/06/03/07/1360060307.db2.gz KIECPCYUPYUGKX-HOJAQTOUSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CC3=CCCCC3)[C@@H]2C)C1 ZINC001088811085 1360060310 /nfs/dbraw/zinc/06/03/10/1360060310.db2.gz KIECPCYUPYUGKX-HOJAQTOUSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)[C@@H]1C ZINC001088970547 1360119961 /nfs/dbraw/zinc/11/99/61/1360119961.db2.gz FHHQSZLQTNUZTP-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@@H]1C ZINC001088970547 1360119963 /nfs/dbraw/zinc/11/99/63/1360119963.db2.gz FHHQSZLQTNUZTP-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H]1C ZINC001088970547 1360119966 /nfs/dbraw/zinc/11/99/66/1360119966.db2.gz FHHQSZLQTNUZTP-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1CCC(C)(C)C ZINC001089058875 1360153126 /nfs/dbraw/zinc/15/31/26/1360153126.db2.gz NPOJZARCPGWNEN-APWZRJJASA-N 2 1 345.531 3.377 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)[C@@H]2C)o1 ZINC001089070478 1360159295 /nfs/dbraw/zinc/15/92/95/1360159295.db2.gz HIYKWNSQZDSUDY-QAPCUYQASA-N 2 1 347.503 3.114 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2C[NH+](C)CC2CCCCC2)C1 ZINC001089226948 1360268225 /nfs/dbraw/zinc/26/82/25/1360268225.db2.gz MNMVKWVJHUWXMS-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCCC[C@H]2C[N@H+](C)CC2CCCCC2)C1 ZINC001089226948 1360268228 /nfs/dbraw/zinc/26/82/28/1360268228.db2.gz MNMVKWVJHUWXMS-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CCCCC2)C1 ZINC001089226948 1360268232 /nfs/dbraw/zinc/26/82/32/1360268232.db2.gz MNMVKWVJHUWXMS-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089334750 1360348272 /nfs/dbraw/zinc/34/82/72/1360348272.db2.gz KGBQOKOFBTVTTK-SJORKVTESA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089334750 1360348274 /nfs/dbraw/zinc/34/82/74/1360348274.db2.gz KGBQOKOFBTVTTK-SJORKVTESA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089334750 1360348278 /nfs/dbraw/zinc/34/82/78/1360348278.db2.gz KGBQOKOFBTVTTK-SJORKVTESA-N 2 1 337.552 3.124 20 0 EGADMP CC1(C)C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+](CCC2CC2)C1 ZINC001089430572 1360422114 /nfs/dbraw/zinc/42/21/14/1360422114.db2.gz OYQZCJQICOOIQY-SFHVURJKSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089511815 1360483283 /nfs/dbraw/zinc/48/32/83/1360483283.db2.gz VVYJHCBEVDKXRQ-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089511815 1360483285 /nfs/dbraw/zinc/48/32/85/1360483285.db2.gz VVYJHCBEVDKXRQ-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089511815 1360483288 /nfs/dbraw/zinc/48/32/88/1360483288.db2.gz VVYJHCBEVDKXRQ-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC(C)(C)C1 ZINC001089516300 1360486330 /nfs/dbraw/zinc/48/63/30/1360486330.db2.gz DXAVZRCKOOEHCB-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089536271 1360495297 /nfs/dbraw/zinc/49/52/97/1360495297.db2.gz APGLIHANHOVNMA-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089536271 1360495298 /nfs/dbraw/zinc/49/52/98/1360495298.db2.gz APGLIHANHOVNMA-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089536271 1360495299 /nfs/dbraw/zinc/49/52/99/1360495299.db2.gz APGLIHANHOVNMA-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089564797 1360511163 /nfs/dbraw/zinc/51/11/63/1360511163.db2.gz JJWQDJAFDZTYHP-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC(C)(C)C1 ZINC001089564797 1360511165 /nfs/dbraw/zinc/51/11/65/1360511165.db2.gz JJWQDJAFDZTYHP-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1 ZINC001089564797 1360511168 /nfs/dbraw/zinc/51/11/68/1360511168.db2.gz JJWQDJAFDZTYHP-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089661445 1360572603 /nfs/dbraw/zinc/57/26/03/1360572603.db2.gz XBLNUZJAFAKPAH-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089661445 1360572605 /nfs/dbraw/zinc/57/26/05/1360572605.db2.gz XBLNUZJAFAKPAH-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001089661445 1360572608 /nfs/dbraw/zinc/57/26/08/1360572608.db2.gz XBLNUZJAFAKPAH-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001089661445 1360572609 /nfs/dbraw/zinc/57/26/09/1360572609.db2.gz XBLNUZJAFAKPAH-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664821 1360574745 /nfs/dbraw/zinc/57/47/45/1360574745.db2.gz ONOWOMFHJKWSRG-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2=CCCCC2)C1 ZINC001089731953 1360636371 /nfs/dbraw/zinc/63/63/71/1360636371.db2.gz ITQRRAHRYKKZRR-RBUKOAKNSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC2=CCCCC2)C1 ZINC001089731953 1360636375 /nfs/dbraw/zinc/63/63/75/1360636375.db2.gz ITQRRAHRYKKZRR-RBUKOAKNSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC2=CCCCC2)C1 ZINC001089731953 1360636378 /nfs/dbraw/zinc/63/63/78/1360636378.db2.gz ITQRRAHRYKKZRR-RBUKOAKNSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001091026573 1360982210 /nfs/dbraw/zinc/98/22/10/1360982210.db2.gz RCIJUCAMSHNHIU-SOAGJPPSSA-N 2 1 349.563 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2CC([NH2+]CC3=CCCCC3)C2)C1 ZINC001091198764 1361004627 /nfs/dbraw/zinc/00/46/27/1361004627.db2.gz SMKGIDZKYFMUHZ-GPJFCIFZSA-N 2 1 347.547 3.093 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1)C1CCCCC1 ZINC001184609303 1387500034 /nfs/dbraw/zinc/50/00/34/1387500034.db2.gz LFSMTHWHBCYOFQ-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001092602583 1361419627 /nfs/dbraw/zinc/41/96/27/1361419627.db2.gz FTRHBULFKKKGJK-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C ZINC001092602583 1361419630 /nfs/dbraw/zinc/41/96/30/1361419630.db2.gz FTRHBULFKKKGJK-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C ZINC001092602583 1361419634 /nfs/dbraw/zinc/41/96/34/1361419634.db2.gz FTRHBULFKKKGJK-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001092658336 1361434220 /nfs/dbraw/zinc/43/42/20/1361434220.db2.gz QANDEGMDYCZKDB-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C ZINC001092658336 1361434224 /nfs/dbraw/zinc/43/42/24/1361434224.db2.gz QANDEGMDYCZKDB-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C ZINC001092658336 1361434226 /nfs/dbraw/zinc/43/42/26/1361434226.db2.gz QANDEGMDYCZKDB-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001093765269 1361693514 /nfs/dbraw/zinc/69/35/14/1361693514.db2.gz AOCIFYCWESXOAE-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(C)C)ccc2c[nH+]cn21 ZINC001095660568 1362198059 /nfs/dbraw/zinc/19/80/59/1362198059.db2.gz JHCUCOXTOSKTPA-MNEFBYGVSA-N 2 1 340.471 3.024 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1c(C)cccc1C ZINC001324263420 1387574058 /nfs/dbraw/zinc/57/40/58/1387574058.db2.gz LKPBHIXUZYKLJI-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097579712 1363060367 /nfs/dbraw/zinc/06/03/67/1363060367.db2.gz AWPJAPORVGOLJX-YSTOQKLRSA-N 2 1 347.547 3.019 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097705559 1363105751 /nfs/dbraw/zinc/10/57/51/1363105751.db2.gz QTPRIEUISHZEDQ-ZRNYENFQSA-N 2 1 347.547 3.305 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001097705559 1363105753 /nfs/dbraw/zinc/10/57/53/1363105753.db2.gz QTPRIEUISHZEDQ-ZRNYENFQSA-N 2 1 347.547 3.305 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001097705559 1363105755 /nfs/dbraw/zinc/10/57/55/1363105755.db2.gz QTPRIEUISHZEDQ-ZRNYENFQSA-N 2 1 347.547 3.305 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCC2)CC[N@H+]1C ZINC001097720803 1363108357 /nfs/dbraw/zinc/10/83/57/1363108357.db2.gz FHHPEXKBIOCPDN-FLNBYBTLSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCC2)CC[NH+]1C ZINC001097720803 1363108360 /nfs/dbraw/zinc/10/83/60/1363108360.db2.gz FHHPEXKBIOCPDN-FLNBYBTLSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCC2)CC[NH+]1C ZINC001097720803 1363108362 /nfs/dbraw/zinc/10/83/62/1363108362.db2.gz FHHPEXKBIOCPDN-FLNBYBTLSA-N 2 1 347.547 3.019 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001098037694 1363203618 /nfs/dbraw/zinc/20/36/18/1363203618.db2.gz ZINDPHUGSUPPRM-OBZTUIKSSA-N 2 1 343.515 3.129 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001185089632 1387615953 /nfs/dbraw/zinc/61/59/53/1387615953.db2.gz BOVJTKXAUVFUCP-PWBPZBFBSA-N 2 1 335.536 3.045 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(C)C ZINC001098191643 1363250542 /nfs/dbraw/zinc/25/05/42/1363250542.db2.gz MDRCBGVHLPTPQH-AKHDSKFASA-N 2 1 335.536 3.019 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C ZINC001098191643 1363250545 /nfs/dbraw/zinc/25/05/45/1363250545.db2.gz MDRCBGVHLPTPQH-AKHDSKFASA-N 2 1 335.536 3.019 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C ZINC001098191643 1363250547 /nfs/dbraw/zinc/25/05/47/1363250547.db2.gz MDRCBGVHLPTPQH-AKHDSKFASA-N 2 1 335.536 3.019 20 0 EGADMP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001099120815 1363634565 /nfs/dbraw/zinc/63/45/65/1363634565.db2.gz GFPSQJONONRSOD-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001099120815 1363634567 /nfs/dbraw/zinc/63/45/67/1363634567.db2.gz GFPSQJONONRSOD-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001099120815 1363634570 /nfs/dbraw/zinc/63/45/70/1363634570.db2.gz GFPSQJONONRSOD-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001099120815 1363634574 /nfs/dbraw/zinc/63/45/74/1363634574.db2.gz GFPSQJONONRSOD-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@H](F)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130022 1363641907 /nfs/dbraw/zinc/64/19/07/1363641907.db2.gz HBWXENNQWCKLGI-JKSUJKDBSA-N 2 1 343.531 3.072 20 0 EGADMP CC[C@H](F)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130022 1363641910 /nfs/dbraw/zinc/64/19/10/1363641910.db2.gz HBWXENNQWCKLGI-JKSUJKDBSA-N 2 1 343.531 3.072 20 0 EGADMP CC[C@H](F)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)CC ZINC001099130022 1363641915 /nfs/dbraw/zinc/64/19/15/1363641915.db2.gz HBWXENNQWCKLGI-JKSUJKDBSA-N 2 1 343.531 3.072 20 0 EGADMP CC[C@H](F)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001099130022 1363641916 /nfs/dbraw/zinc/64/19/16/1363641916.db2.gz HBWXENNQWCKLGI-JKSUJKDBSA-N 2 1 343.531 3.072 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC1=CCCCC1 ZINC001099215512 1363696612 /nfs/dbraw/zinc/69/66/12/1363696612.db2.gz WIECGVDJABNEEE-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC1)[NH+]1CCCC1 ZINC001099349017 1363765547 /nfs/dbraw/zinc/76/55/47/1363765547.db2.gz NHBZJBHSCZBMOW-RTBURBONSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001099509621 1363825738 /nfs/dbraw/zinc/82/57/38/1363825738.db2.gz PTZJIWJDPMHFID-PXNSSMCTSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001100319356 1364079185 /nfs/dbraw/zinc/07/91/85/1364079185.db2.gz IZNYPQXEDMWUQN-MHJFOBGBSA-N 2 1 349.563 3.314 20 0 EGADMP CCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001100406011 1364104097 /nfs/dbraw/zinc/10/40/97/1364104097.db2.gz XKLZVIZLKVTWGF-TVPLGVNVSA-N 2 1 335.536 3.068 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001100460052 1364122144 /nfs/dbraw/zinc/12/21/44/1364122144.db2.gz NDVZVEZOHKFWCW-UHFFFAOYSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001100898703 1364320353 /nfs/dbraw/zinc/32/03/53/1364320353.db2.gz XWSTUNNXNOCOFY-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001100899990 1364321297 /nfs/dbraw/zinc/32/12/97/1364321297.db2.gz KRLPSRIBWMPSJA-UUKMXZOPSA-N 2 1 345.531 3.354 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2C[NH+](CCCC(C)(C)C)C[C@@]2(C)C1 ZINC001101364033 1364528980 /nfs/dbraw/zinc/52/89/80/1364528980.db2.gz LADBWHVRJNBOGU-UEXGIBASSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@H+](CCCC(C)(C)C)C[C@@]2(C)C1 ZINC001101364033 1364528983 /nfs/dbraw/zinc/52/89/83/1364528983.db2.gz LADBWHVRJNBOGU-UEXGIBASSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@@]2(C)C1 ZINC001101364033 1364528985 /nfs/dbraw/zinc/52/89/85/1364528985.db2.gz LADBWHVRJNBOGU-UEXGIBASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001101551623 1364614615 /nfs/dbraw/zinc/61/46/15/1364614615.db2.gz TWSMHKQXAHKDDA-IBGZPJMESA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](C)C1 ZINC001102111034 1364863689 /nfs/dbraw/zinc/86/36/89/1364863689.db2.gz RSOHDYCBHHMSET-QZTJIDSGSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](C)C1 ZINC001102111034 1364863691 /nfs/dbraw/zinc/86/36/91/1364863691.db2.gz RSOHDYCBHHMSET-QZTJIDSGSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](C)C1 ZINC001102111034 1364863697 /nfs/dbraw/zinc/86/36/97/1364863697.db2.gz RSOHDYCBHHMSET-QZTJIDSGSA-N 2 1 349.563 3.290 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001102119276 1364869930 /nfs/dbraw/zinc/86/99/30/1364869930.db2.gz DKUYHFUNLKEVDI-QZTJIDSGSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001102466485 1365071242 /nfs/dbraw/zinc/07/12/42/1365071242.db2.gz OZDJRIASYFAFCR-SJLPKXTDSA-N 2 1 348.535 3.092 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001102466485 1365071247 /nfs/dbraw/zinc/07/12/47/1365071247.db2.gz OZDJRIASYFAFCR-SJLPKXTDSA-N 2 1 348.535 3.092 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001102599971 1365131333 /nfs/dbraw/zinc/13/13/33/1365131333.db2.gz FXEBJYIUSKAFLS-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC001102599971 1365131334 /nfs/dbraw/zinc/13/13/34/1365131334.db2.gz FXEBJYIUSKAFLS-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H](C)C1 ZINC001102599971 1365131336 /nfs/dbraw/zinc/13/13/36/1365131336.db2.gz FXEBJYIUSKAFLS-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103434870 1365558363 /nfs/dbraw/zinc/55/83/63/1365558363.db2.gz BYVYHEIOEPLIHB-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001103434870 1365558368 /nfs/dbraw/zinc/55/83/68/1365558368.db2.gz BYVYHEIOEPLIHB-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001103434870 1365558370 /nfs/dbraw/zinc/55/83/70/1365558370.db2.gz BYVYHEIOEPLIHB-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001103732732 1365754254 /nfs/dbraw/zinc/75/42/54/1365754254.db2.gz RGEHLJDMDJBSKY-RTBURBONSA-N 2 1 337.552 3.127 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001103732479 1365754342 /nfs/dbraw/zinc/75/43/42/1365754342.db2.gz BTRSLGOTDGNRNC-WOJBJXKFSA-N 2 1 349.563 3.293 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001103750800 1365763915 /nfs/dbraw/zinc/76/39/15/1365763915.db2.gz NXPDSFHHFGJQFZ-YLJYHZDGSA-N 2 1 345.531 3.236 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001103756872 1365766893 /nfs/dbraw/zinc/76/68/93/1365766893.db2.gz DUVGOETVXFFMCC-JCHUFIKGSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001103756872 1365766897 /nfs/dbraw/zinc/76/68/97/1365766897.db2.gz DUVGOETVXFFMCC-JCHUFIKGSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001103756872 1365766900 /nfs/dbraw/zinc/76/69/00/1365766900.db2.gz DUVGOETVXFFMCC-JCHUFIKGSA-N 2 1 349.563 3.291 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(C)C)C1 ZINC001104213637 1365954418 /nfs/dbraw/zinc/95/44/18/1365954418.db2.gz IVDKFTRGURANBL-KZNAEPCWSA-N 2 1 348.535 3.127 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)c2ccccc2)C1 ZINC001105067387 1366304439 /nfs/dbraw/zinc/30/44/39/1366304439.db2.gz YOPWXIYMQZVQJR-QWFCFKBJSA-N 2 1 345.531 3.162 20 0 EGADMP CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001105541597 1366520107 /nfs/dbraw/zinc/52/01/07/1366520107.db2.gz FDMXXBSDXUKDSV-RTBURBONSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[C@H]2CCC[N@H+]2C)CCC1 ZINC001105544320 1366521177 /nfs/dbraw/zinc/52/11/77/1366521177.db2.gz HGWXRODNHQBGMH-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC001105556819 1366529652 /nfs/dbraw/zinc/52/96/52/1366529652.db2.gz QLKZKTBUQCEMQO-FHWLQOOXSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CCC[C@H]2C)CCC1 ZINC001105563542 1366533059 /nfs/dbraw/zinc/53/30/59/1366533059.db2.gz PBNBLYOQYKXRLX-MOPGFXCFSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C[NH2+]CCCC(C)C)[C@H](C)C1 ZINC001106765597 1366792200 /nfs/dbraw/zinc/79/22/00/1366792200.db2.gz KKRPJZSWZXEAFK-IEBWSBKVSA-N 2 1 348.535 3.092 20 0 EGADMP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001106765767 1366792277 /nfs/dbraw/zinc/79/22/77/1366792277.db2.gz SWSATHSUAWAODF-VQIMIIECSA-N 2 1 348.535 3.092 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107402816 1366953635 /nfs/dbraw/zinc/95/36/35/1366953635.db2.gz SABGWEGBBXTSIB-QKNQBKEWSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107402816 1366953637 /nfs/dbraw/zinc/95/36/37/1366953637.db2.gz SABGWEGBBXTSIB-QKNQBKEWSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001107402816 1366953641 /nfs/dbraw/zinc/95/36/41/1366953641.db2.gz SABGWEGBBXTSIB-QKNQBKEWSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCCC1)CC2 ZINC001107524009 1367018122 /nfs/dbraw/zinc/01/81/22/1367018122.db2.gz CEXFRGBENQNLRN-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1=CCCCC1)CC2 ZINC001107530821 1367023501 /nfs/dbraw/zinc/02/35/01/1367023501.db2.gz NOKRHQDQBAMAMM-TZIWHRDSSA-N 2 1 347.547 3.189 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCCCCC)[C@@H]2C1 ZINC001189454545 1367026168 /nfs/dbraw/zinc/02/61/68/1367026168.db2.gz VPCSXMYEGQRDSY-QOEWUMFVSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001189454545 1367026172 /nfs/dbraw/zinc/02/61/72/1367026172.db2.gz VPCSXMYEGQRDSY-QOEWUMFVSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001189454545 1367026175 /nfs/dbraw/zinc/02/61/75/1367026175.db2.gz VPCSXMYEGQRDSY-QOEWUMFVSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109273098 1367036290 /nfs/dbraw/zinc/03/62/90/1367036290.db2.gz WRUNOQRLLPJZPF-XWSJACJDSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001109273098 1367036297 /nfs/dbraw/zinc/03/62/97/1367036297.db2.gz WRUNOQRLLPJZPF-XWSJACJDSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001109273098 1367036304 /nfs/dbraw/zinc/03/63/04/1367036304.db2.gz WRUNOQRLLPJZPF-XWSJACJDSA-N 2 1 349.563 3.407 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CCC)CCC[C@@H]12 ZINC001107615690 1367074630 /nfs/dbraw/zinc/07/46/30/1367074630.db2.gz IKCKWCLYYASJLA-WBWXQYNJSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001107615690 1367074635 /nfs/dbraw/zinc/07/46/35/1367074635.db2.gz IKCKWCLYYASJLA-WBWXQYNJSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001107615690 1367074640 /nfs/dbraw/zinc/07/46/40/1367074640.db2.gz IKCKWCLYYASJLA-WBWXQYNJSA-N 2 1 349.563 3.435 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCC3CCCCCC3)C[C@H]21 ZINC001189667127 1367082565 /nfs/dbraw/zinc/08/25/65/1367082565.db2.gz BJTQTLHXPGIAHQ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21 ZINC001189667127 1367082570 /nfs/dbraw/zinc/08/25/70/1367082570.db2.gz BJTQTLHXPGIAHQ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]21 ZINC001189667127 1367082577 /nfs/dbraw/zinc/08/25/77/1367082577.db2.gz BJTQTLHXPGIAHQ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643247 1367089763 /nfs/dbraw/zinc/08/97/63/1367089763.db2.gz COUUJHLUFLRQMJ-TZIWHRDSSA-N 2 1 349.563 3.413 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001107646428 1367090394 /nfs/dbraw/zinc/09/03/94/1367090394.db2.gz ITYRPMKLAYSSLX-QKNQBKEWSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)CCC[C@@H]12 ZINC001107646428 1367090397 /nfs/dbraw/zinc/09/03/97/1367090397.db2.gz ITYRPMKLAYSSLX-QKNQBKEWSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3CC)CCC[C@@H]12 ZINC001107646428 1367090403 /nfs/dbraw/zinc/09/04/03/1367090403.db2.gz ITYRPMKLAYSSLX-QKNQBKEWSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109464406 1367137784 /nfs/dbraw/zinc/13/77/84/1367137784.db2.gz YYAQVUNETYOAGA-IKGGRYGDSA-N 2 1 337.552 3.265 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001109464406 1367137786 /nfs/dbraw/zinc/13/77/86/1367137786.db2.gz YYAQVUNETYOAGA-IKGGRYGDSA-N 2 1 337.552 3.265 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001109464406 1367137788 /nfs/dbraw/zinc/13/77/88/1367137788.db2.gz YYAQVUNETYOAGA-IKGGRYGDSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109471669 1367143933 /nfs/dbraw/zinc/14/39/33/1367143933.db2.gz FSZZDALTBNHKTQ-QYZOEREBSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001109471669 1367143938 /nfs/dbraw/zinc/14/39/38/1367143938.db2.gz FSZZDALTBNHKTQ-QYZOEREBSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001109471669 1367143941 /nfs/dbraw/zinc/14/39/41/1367143941.db2.gz FSZZDALTBNHKTQ-QYZOEREBSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190324206 1367226711 /nfs/dbraw/zinc/22/67/11/1367226711.db2.gz IOPPGLHXQPUORR-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001109714572 1367289495 /nfs/dbraw/zinc/28/94/95/1367289495.db2.gz PEBMBCSELYLKGK-CJGRHVJPSA-N 2 1 335.536 3.185 20 0 EGADMP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190653804 1367317834 /nfs/dbraw/zinc/31/78/34/1367317834.db2.gz GIKRDYOSWQLTAU-PJHKVULZSA-N 2 1 344.503 3.040 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190653804 1367317840 /nfs/dbraw/zinc/31/78/40/1367317840.db2.gz GIKRDYOSWQLTAU-PJHKVULZSA-N 2 1 344.503 3.040 20 0 EGADMP C[N@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190654840 1367318424 /nfs/dbraw/zinc/31/84/24/1367318424.db2.gz MDJVZQPOSZUQNL-SJORKVTESA-N 2 1 346.519 3.120 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190654840 1367318428 /nfs/dbraw/zinc/31/84/28/1367318428.db2.gz MDJVZQPOSZUQNL-SJORKVTESA-N 2 1 346.519 3.120 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCCC ZINC001109856467 1367360407 /nfs/dbraw/zinc/36/04/07/1367360407.db2.gz NIVPNSBWLFEWQH-QYZOEREBSA-N 2 1 337.552 3.410 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCC ZINC001109856467 1367360415 /nfs/dbraw/zinc/36/04/15/1367360415.db2.gz NIVPNSBWLFEWQH-QYZOEREBSA-N 2 1 337.552 3.410 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCC ZINC001109856467 1367360420 /nfs/dbraw/zinc/36/04/20/1367360420.db2.gz NIVPNSBWLFEWQH-QYZOEREBSA-N 2 1 337.552 3.410 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001190932844 1367384336 /nfs/dbraw/zinc/38/43/36/1367384336.db2.gz DQEDBNSIMVCTKC-APHBUQMISA-N 2 1 326.444 3.066 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001190996218 1367397689 /nfs/dbraw/zinc/39/76/89/1367397689.db2.gz ATPNVOFIXBKAHP-YJBOKZPZSA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001190996218 1367397691 /nfs/dbraw/zinc/39/76/91/1367397691.db2.gz ATPNVOFIXBKAHP-YJBOKZPZSA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001190996218 1367397695 /nfs/dbraw/zinc/39/76/95/1367397695.db2.gz ATPNVOFIXBKAHP-YJBOKZPZSA-N 2 1 349.494 3.150 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CCC2=CCCCC2)C1 ZINC001191029702 1367404902 /nfs/dbraw/zinc/40/49/02/1367404902.db2.gz LZZSKQWCZFHEAV-SFHVURJKSA-N 2 1 335.536 3.140 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2ccccc2C)C1 ZINC001191029087 1367405136 /nfs/dbraw/zinc/40/51/36/1367405136.db2.gz FUGFIBPKZQEDEB-ZWKOTPCHSA-N 2 1 345.531 3.319 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001191030142 1367406343 /nfs/dbraw/zinc/40/63/43/1367406343.db2.gz QKTCJKOHKRXDRL-MRXNPFEDSA-N 2 1 325.541 3.076 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001191030142 1367406344 /nfs/dbraw/zinc/40/63/44/1367406344.db2.gz QKTCJKOHKRXDRL-MRXNPFEDSA-N 2 1 325.541 3.076 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001191030142 1367406346 /nfs/dbraw/zinc/40/63/46/1367406346.db2.gz QKTCJKOHKRXDRL-MRXNPFEDSA-N 2 1 325.541 3.076 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCC(C)(C)C)C1 ZINC001191082360 1367420308 /nfs/dbraw/zinc/42/03/08/1367420308.db2.gz XITPIBMJZGXLPK-ROUUACIJSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001191082360 1367420310 /nfs/dbraw/zinc/42/03/10/1367420310.db2.gz XITPIBMJZGXLPK-ROUUACIJSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001191082360 1367420315 /nfs/dbraw/zinc/42/03/15/1367420315.db2.gz XITPIBMJZGXLPK-ROUUACIJSA-N 2 1 337.552 3.076 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001108704886 1367544444 /nfs/dbraw/zinc/54/44/44/1367544444.db2.gz UCUAWZIVLDWILO-OSJSIZARSA-N 2 1 347.547 3.186 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188989 1367555755 /nfs/dbraw/zinc/55/57/55/1367555755.db2.gz YXGMNTJKWAXJNK-YRXWBPOGSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH+](C)CCCC3CCC3)C2)C1 ZINC001191922825 1367639795 /nfs/dbraw/zinc/63/97/95/1367639795.db2.gz OPQACRJPRZEZMG-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCCC3CCC3)C2)C1 ZINC001191922825 1367639799 /nfs/dbraw/zinc/63/97/99/1367639799.db2.gz OPQACRJPRZEZMG-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCCC3CCC3)C2)C1 ZINC001191922825 1367639806 /nfs/dbraw/zinc/63/98/06/1367639806.db2.gz OPQACRJPRZEZMG-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192603947 1367830590 /nfs/dbraw/zinc/83/05/90/1367830590.db2.gz HEZPUJLUQOADFT-KRWDZBQOSA-N 2 1 334.508 3.120 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192603947 1367830594 /nfs/dbraw/zinc/83/05/94/1367830594.db2.gz HEZPUJLUQOADFT-KRWDZBQOSA-N 2 1 334.508 3.120 20 0 EGADMP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641095 1367839583 /nfs/dbraw/zinc/83/95/83/1367839583.db2.gz IMRQJTVYUFIIBU-IPLHWJFFSA-N 2 1 346.519 3.286 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641095 1367839587 /nfs/dbraw/zinc/83/95/87/1367839587.db2.gz IMRQJTVYUFIIBU-IPLHWJFFSA-N 2 1 346.519 3.286 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC(CC)CC)C1 ZINC001192906499 1367901655 /nfs/dbraw/zinc/90/16/55/1367901655.db2.gz LVCZVPRVUNNDCN-LJQANCHMSA-N 2 1 339.568 3.467 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CC(CC)CC)C1 ZINC001192906499 1367901660 /nfs/dbraw/zinc/90/16/60/1367901660.db2.gz LVCZVPRVUNNDCN-LJQANCHMSA-N 2 1 339.568 3.467 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CC(CC)CC)C1 ZINC001192906499 1367901667 /nfs/dbraw/zinc/90/16/67/1367901667.db2.gz LVCZVPRVUNNDCN-LJQANCHMSA-N 2 1 339.568 3.467 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001110661317 1367903666 /nfs/dbraw/zinc/90/36/66/1367903666.db2.gz QIVAJCVRGLPGGM-ZRNYENFQSA-N 2 1 347.547 3.305 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001110661317 1367903669 /nfs/dbraw/zinc/90/36/69/1367903669.db2.gz QIVAJCVRGLPGGM-ZRNYENFQSA-N 2 1 347.547 3.305 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001110661317 1367903673 /nfs/dbraw/zinc/90/36/73/1367903673.db2.gz QIVAJCVRGLPGGM-ZRNYENFQSA-N 2 1 347.547 3.305 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C)[NH+](C)C ZINC001110693997 1367931997 /nfs/dbraw/zinc/93/19/97/1367931997.db2.gz YSKWUNXKFUVIFP-BDXSIMOUSA-N 2 1 337.552 3.120 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@@H+](C)CCC(C)C)C1 ZINC001193423503 1368024965 /nfs/dbraw/zinc/02/49/65/1368024965.db2.gz AYHNIJRSWGTEDL-LJQANCHMSA-N 2 1 339.568 3.467 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@@H+](C)C[C@H](C)CC)C1 ZINC001193423928 1368027666 /nfs/dbraw/zinc/02/76/66/1368027666.db2.gz HVSAIDKHSYZQQN-MOPGFXCFSA-N 2 1 339.568 3.467 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001110847474 1368028741 /nfs/dbraw/zinc/02/87/41/1368028741.db2.gz SXNOHFBOCORTNK-YSTOQKLRSA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001193561348 1368062452 /nfs/dbraw/zinc/06/24/52/1368062452.db2.gz YFVFHGQOAUQSJN-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193561144 1368062564 /nfs/dbraw/zinc/06/25/64/1368062564.db2.gz WOTNABXSXOSFAA-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2cc(C)ccc2C)C1 ZINC001193639537 1368081614 /nfs/dbraw/zinc/08/16/14/1368081614.db2.gz AKUKSVHSQSWTFC-RTBURBONSA-N 2 1 345.531 3.239 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2cc(C)ccc2C)C1 ZINC001193639537 1368081619 /nfs/dbraw/zinc/08/16/19/1368081619.db2.gz AKUKSVHSQSWTFC-RTBURBONSA-N 2 1 345.531 3.239 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2cc(C)ccc2C)C1 ZINC001193639537 1368081624 /nfs/dbraw/zinc/08/16/24/1368081624.db2.gz AKUKSVHSQSWTFC-RTBURBONSA-N 2 1 345.531 3.239 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001110934613 1368104458 /nfs/dbraw/zinc/10/44/58/1368104458.db2.gz JNDSDZTZMQKPHI-BWGAQWGUSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001110934613 1368104461 /nfs/dbraw/zinc/10/44/61/1368104461.db2.gz JNDSDZTZMQKPHI-BWGAQWGUSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001110934613 1368104463 /nfs/dbraw/zinc/10/44/63/1368104463.db2.gz JNDSDZTZMQKPHI-BWGAQWGUSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001111098643 1368158739 /nfs/dbraw/zinc/15/87/39/1368158739.db2.gz JDLFKNLBJRRMIZ-MIIYPZDFSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001111098643 1368158742 /nfs/dbraw/zinc/15/87/42/1368158742.db2.gz JDLFKNLBJRRMIZ-MIIYPZDFSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001111098643 1368158746 /nfs/dbraw/zinc/15/87/46/1368158746.db2.gz JDLFKNLBJRRMIZ-MIIYPZDFSA-N 2 1 347.547 3.327 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226907 1368212962 /nfs/dbraw/zinc/21/29/62/1368212962.db2.gz HURWGMPQZOVQPA-ZMBJWTFHSA-N 2 1 335.536 3.142 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H]([N@@H+](C)CCCCCF)C2)c1 ZINC001194228218 1368213357 /nfs/dbraw/zinc/21/33/57/1368213357.db2.gz PSZGXEJZPIGXKK-LJQANCHMSA-N 2 1 349.494 3.034 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194273806 1368220505 /nfs/dbraw/zinc/22/05/05/1368220505.db2.gz BDWYTUZEXPTHCT-ILWWCXPUSA-N 2 1 349.563 3.386 20 0 EGADMP CCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274516 1368221098 /nfs/dbraw/zinc/22/10/98/1368221098.db2.gz JANPRMNCSCMDBZ-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274516 1368221121 /nfs/dbraw/zinc/22/11/21/1368221121.db2.gz JANPRMNCSCMDBZ-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1)c1ccccc1 ZINC001194274855 1368222219 /nfs/dbraw/zinc/22/22/19/1368222219.db2.gz NDQNOSLBCGXIGX-RBUKOAKNSA-N 2 1 345.531 3.258 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1)c1ccccc1 ZINC001194274855 1368222222 /nfs/dbraw/zinc/22/22/22/1368222222.db2.gz NDQNOSLBCGXIGX-RBUKOAKNSA-N 2 1 345.531 3.258 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275719 1368222232 /nfs/dbraw/zinc/22/22/32/1368222232.db2.gz XMJAKSMETXHZGS-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194448405 1368263851 /nfs/dbraw/zinc/26/38/51/1368263851.db2.gz DYPQLKHWXMBQJZ-HXUWFJFHSA-N 2 1 345.531 3.087 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194448405 1368263858 /nfs/dbraw/zinc/26/38/58/1368263858.db2.gz DYPQLKHWXMBQJZ-HXUWFJFHSA-N 2 1 345.531 3.087 20 0 EGADMP CCC(CC)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194448405 1368263864 /nfs/dbraw/zinc/26/38/64/1368263864.db2.gz DYPQLKHWXMBQJZ-HXUWFJFHSA-N 2 1 345.531 3.087 20 0 EGADMP CCC(CC)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194448405 1368263866 /nfs/dbraw/zinc/26/38/66/1368263866.db2.gz DYPQLKHWXMBQJZ-HXUWFJFHSA-N 2 1 345.531 3.087 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467631 1368311456 /nfs/dbraw/zinc/31/14/56/1368311456.db2.gz QPZJFZCOPGRVHM-AKHDSKFASA-N 2 1 335.536 3.019 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111466369 1368311807 /nfs/dbraw/zinc/31/18/07/1368311807.db2.gz SODAOIOUDSKFMJ-LFGUQSLTSA-N 2 1 343.515 3.118 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111466369 1368311811 /nfs/dbraw/zinc/31/18/11/1368311811.db2.gz SODAOIOUDSKFMJ-LFGUQSLTSA-N 2 1 343.515 3.118 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111466369 1368311816 /nfs/dbraw/zinc/31/18/16/1368311816.db2.gz SODAOIOUDSKFMJ-LFGUQSLTSA-N 2 1 343.515 3.118 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001111851724 1368505901 /nfs/dbraw/zinc/50/59/01/1368505901.db2.gz LYXUWZFXVMUKHT-IWFBPKFRSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001111851724 1368505906 /nfs/dbraw/zinc/50/59/06/1368505906.db2.gz LYXUWZFXVMUKHT-IWFBPKFRSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001111851724 1368505908 /nfs/dbraw/zinc/50/59/08/1368505908.db2.gz LYXUWZFXVMUKHT-IWFBPKFRSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864574 1368513286 /nfs/dbraw/zinc/51/32/86/1368513286.db2.gz WXTJYJPXMKHDHZ-ZVDOUQERSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1CCCCC1)C2 ZINC001111908732 1368549718 /nfs/dbraw/zinc/54/97/18/1368549718.db2.gz OFKVIWYRBOXXJM-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCCCC1)C2 ZINC001111926675 1368564199 /nfs/dbraw/zinc/56/41/99/1368564199.db2.gz CHHKNGFJRVAKKR-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCCCCC1)C2 ZINC001111926675 1368564200 /nfs/dbraw/zinc/56/42/00/1368564200.db2.gz CHHKNGFJRVAKKR-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCCCC1)C2 ZINC001111926675 1368564205 /nfs/dbraw/zinc/56/42/05/1368564205.db2.gz CHHKNGFJRVAKKR-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCC)C1 ZINC001111952391 1368572548 /nfs/dbraw/zinc/57/25/48/1368572548.db2.gz GELRJMROCJTTMD-KDCRJJDASA-N 2 1 335.536 3.045 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCC)C1 ZINC001111952391 1368572553 /nfs/dbraw/zinc/57/25/53/1368572553.db2.gz GELRJMROCJTTMD-KDCRJJDASA-N 2 1 335.536 3.045 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CCC)C1 ZINC001111952391 1368572556 /nfs/dbraw/zinc/57/25/56/1368572556.db2.gz GELRJMROCJTTMD-KDCRJJDASA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619669 1368651327 /nfs/dbraw/zinc/65/13/27/1368651327.db2.gz HRZPRYLTFZYTHC-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196620028 1368651530 /nfs/dbraw/zinc/65/15/30/1368651530.db2.gz SKNQONIGRRJYLG-AZUAARDMSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[N@@H+](CC3CCCC3)CC2)CCCCC1 ZINC001196641758 1368654452 /nfs/dbraw/zinc/65/44/52/1368654452.db2.gz PKFIAJMYECCBJV-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCc1ccc(C[NH+]2CCN(CC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC001197349973 1368793698 /nfs/dbraw/zinc/79/36/98/1368793698.db2.gz MYXVNECILFDGTP-PMACEKPBSA-N 2 1 343.559 3.345 20 0 EGADMP CCC/C=C\CC[N@@H+]1CCCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001197453612 1368818228 /nfs/dbraw/zinc/81/82/28/1368818228.db2.gz IDIKJPCKVCEBPG-WAYWQWQTSA-N 2 1 346.519 3.252 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001197453612 1368818229 /nfs/dbraw/zinc/81/82/29/1368818229.db2.gz IDIKJPCKVCEBPG-WAYWQWQTSA-N 2 1 346.519 3.252 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[NH+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001197922410 1368924945 /nfs/dbraw/zinc/92/49/45/1368924945.db2.gz RONVCKHCZQZCTF-OALUTQOASA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[N@H+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001197922410 1368924952 /nfs/dbraw/zinc/92/49/52/1368924952.db2.gz RONVCKHCZQZCTF-OALUTQOASA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC)C1 ZINC001112561208 1368928461 /nfs/dbraw/zinc/92/84/61/1368928461.db2.gz MBPKSJMWOFVDFW-ZJOUEHCJSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001325437820 1387972135 /nfs/dbraw/zinc/97/21/35/1387972135.db2.gz LYDMRNFCFFTOGF-AEFFLSMTSA-N 2 1 339.568 3.227 20 0 EGADMP CC/C=C/CC[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198259982 1368991426 /nfs/dbraw/zinc/99/14/26/1368991426.db2.gz VXKCLCLWGBVINI-XJDXJNMNSA-N 2 1 343.515 3.180 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198259982 1368991430 /nfs/dbraw/zinc/99/14/30/1368991430.db2.gz VXKCLCLWGBVINI-XJDXJNMNSA-N 2 1 343.515 3.180 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[NH+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001198259066 1368992619 /nfs/dbraw/zinc/99/26/19/1368992619.db2.gz KKNXHLYNQDJDCT-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[N@H+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001198259066 1368992623 /nfs/dbraw/zinc/99/26/23/1368992623.db2.gz KKNXHLYNQDJDCT-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[N@@H+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001198259066 1368992629 /nfs/dbraw/zinc/99/26/29/1368992629.db2.gz KKNXHLYNQDJDCT-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198282755 1368996370 /nfs/dbraw/zinc/99/63/70/1368996370.db2.gz GQOFITLQULWPPL-IBGZPJMESA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001198282755 1368996373 /nfs/dbraw/zinc/99/63/73/1368996373.db2.gz GQOFITLQULWPPL-IBGZPJMESA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001198282755 1368996379 /nfs/dbraw/zinc/99/63/79/1368996379.db2.gz GQOFITLQULWPPL-IBGZPJMESA-N 2 1 349.494 3.151 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001112965057 1369112342 /nfs/dbraw/zinc/11/23/42/1369112342.db2.gz DHNAFDHRCBBHHF-SGSXCFNPSA-N 2 1 347.547 3.284 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001112965057 1369112345 /nfs/dbraw/zinc/11/23/45/1369112345.db2.gz DHNAFDHRCBBHHF-SGSXCFNPSA-N 2 1 347.547 3.284 20 0 EGADMP CC[N@H+](C)C(C)(C)C(=O)N1CC[NH+]([C@H](C)c2cc(C)ccc2C)CC1 ZINC001113035037 1369155065 /nfs/dbraw/zinc/15/50/65/1369155065.db2.gz GSQLBMSCEVGQKJ-GOSISDBHSA-N 2 1 345.531 3.239 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[NH+]([C@H](C)c2cc(C)ccc2C)CC1 ZINC001113035037 1369155068 /nfs/dbraw/zinc/15/50/68/1369155068.db2.gz GSQLBMSCEVGQKJ-GOSISDBHSA-N 2 1 345.531 3.239 20 0 EGADMP CC[C@@H](C(=O)N1CC[NH+]([C@@H](CC)c2ccccc2)CC1)[NH+](CC)CC ZINC001113341456 1369359395 /nfs/dbraw/zinc/35/93/95/1369359395.db2.gz XUWVPSXMLQZSHD-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP C[N@H+](CC(=O)N1CC[NH+](CCCC2CCCC2)CC1)CC(C)(C)C ZINC001113352984 1369364109 /nfs/dbraw/zinc/36/41/09/1369364109.db2.gz GVKKYNJHSJIOPU-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP C[N@@H+](CC(=O)N1CC[NH+](CCCC2CCCC2)CC1)CC(C)(C)C ZINC001113352984 1369364113 /nfs/dbraw/zinc/36/41/13/1369364113.db2.gz GVKKYNJHSJIOPU-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001200645061 1369404829 /nfs/dbraw/zinc/40/48/29/1369404829.db2.gz YXOUXYCTFAZWLM-YZPMEYCISA-N 2 1 335.536 3.044 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001113644002 1369540866 /nfs/dbraw/zinc/54/08/66/1369540866.db2.gz ACWAEVKZCRMPBG-LJQANCHMSA-N 2 1 343.515 3.158 20 0 EGADMP Cc1cc(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)cc(C)[nH+]1 ZINC001201914746 1369641962 /nfs/dbraw/zinc/64/19/62/1369641962.db2.gz DUKPVLBOIKGRFC-UHFFFAOYSA-N 2 1 332.492 3.287 20 0 EGADMP CC(C)(C)CC[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001202079134 1369682359 /nfs/dbraw/zinc/68/23/59/1369682359.db2.gz XGHQZAMGEPZDES-UHFFFAOYSA-N 2 1 345.531 3.432 20 0 EGADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCOCC2)C3)cc1 ZINC001202598334 1369818729 /nfs/dbraw/zinc/81/87/29/1369818729.db2.gz KOPXPLRKMKZPEQ-OAQYLSRUSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCOCC2)C3)cc1 ZINC001202598334 1369818732 /nfs/dbraw/zinc/81/87/32/1369818732.db2.gz KOPXPLRKMKZPEQ-OAQYLSRUSA-N 2 1 328.500 3.401 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001202707656 1369859917 /nfs/dbraw/zinc/85/99/17/1369859917.db2.gz GHASCHYCWCMRKP-UHFFFAOYSA-N 2 1 334.508 3.023 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001186981247 1388035033 /nfs/dbraw/zinc/03/50/33/1388035033.db2.gz LJDLKJYOGJAKOQ-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001202872256 1369913500 /nfs/dbraw/zinc/91/35/00/1369913500.db2.gz CTBZEQKICLBGJD-OALUTQOASA-N 2 1 349.563 3.410 20 0 EGADMP CCC1(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)COC1 ZINC001202937024 1369930388 /nfs/dbraw/zinc/93/03/88/1369930388.db2.gz SUDVXAQHVVGQIF-UHFFFAOYSA-N 2 1 343.515 3.185 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC([NH2+]CCC2CCCC2)CC1 ZINC001202939232 1369931664 /nfs/dbraw/zinc/93/16/64/1369931664.db2.gz ASJHFTQSUZNFAO-UHFFFAOYSA-N 2 1 346.519 3.133 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC2CCC2)C12CCC2)C1CCC1 ZINC001203044561 1369965174 /nfs/dbraw/zinc/96/51/74/1369965174.db2.gz MHCXGGAFSXZOJO-RTBURBONSA-N 2 1 347.547 3.068 20 0 EGADMP CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203419490 1370118840 /nfs/dbraw/zinc/11/88/40/1370118840.db2.gz LYALVPLIOVEMAN-MSOLQXFVSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001203443496 1370128841 /nfs/dbraw/zinc/12/88/41/1370128841.db2.gz UWAVXTQMSPCFNY-MRXNPFEDSA-N 2 1 349.494 3.199 20 0 EGADMP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203451155 1370131657 /nfs/dbraw/zinc/13/16/57/1370131657.db2.gz IPICZXHCMUBCBN-DLBZAZTESA-N 2 1 346.519 3.214 20 0 EGADMP CCCC[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203467311 1370135856 /nfs/dbraw/zinc/13/58/56/1370135856.db2.gz AFLCMTVLQYIKDV-IRXDYDNUSA-N 2 1 346.519 3.214 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203642791 1370198927 /nfs/dbraw/zinc/19/89/27/1370198927.db2.gz YUBHWXSUAYJMHZ-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203794217 1370268104 /nfs/dbraw/zinc/26/81/04/1370268104.db2.gz VSHCURZVMQQLJS-YQJUVHNHSA-N 2 1 335.536 3.090 20 0 EGADMP Cc1ccsc1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001204020535 1370349647 /nfs/dbraw/zinc/34/96/47/1370349647.db2.gz GWUFPUJFKOQAHE-UHFFFAOYSA-N 2 1 344.528 3.297 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3c[nH]c4ccccc34)C2)C1 ZINC001204042315 1370356855 /nfs/dbraw/zinc/35/68/55/1370356855.db2.gz OWOVKVZKKUIRKW-OAQYLSRUSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3c[nH]c4ccccc34)C2)C1 ZINC001204042315 1370356862 /nfs/dbraw/zinc/35/68/62/1370356862.db2.gz OWOVKVZKKUIRKW-OAQYLSRUSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3c[nH]c4ccccc34)C2)C1 ZINC001204042315 1370356864 /nfs/dbraw/zinc/35/68/64/1370356864.db2.gz OWOVKVZKKUIRKW-OAQYLSRUSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3c[nH]c4ccccc34)C2)C1 ZINC001204042315 1370356870 /nfs/dbraw/zinc/35/68/70/1370356870.db2.gz OWOVKVZKKUIRKW-OAQYLSRUSA-N 2 1 341.499 3.491 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC1 ZINC001204180947 1370401776 /nfs/dbraw/zinc/40/17/76/1370401776.db2.gz XDNTUEBUCVLTFC-QFIPXVFZSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC001204180947 1370401779 /nfs/dbraw/zinc/40/17/79/1370401779.db2.gz XDNTUEBUCVLTFC-QFIPXVFZSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001204180947 1370401781 /nfs/dbraw/zinc/40/17/81/1370401781.db2.gz XDNTUEBUCVLTFC-QFIPXVFZSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CC1 ZINC001204180947 1370401784 /nfs/dbraw/zinc/40/17/84/1370401784.db2.gz XDNTUEBUCVLTFC-QFIPXVFZSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CC1 ZINC001204180947 1370401786 /nfs/dbraw/zinc/40/17/86/1370401786.db2.gz XDNTUEBUCVLTFC-QFIPXVFZSA-N 2 1 341.543 3.316 20 0 EGADMP CCOc1cc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)ccc1OC ZINC001204193388 1370403636 /nfs/dbraw/zinc/40/36/36/1370403636.db2.gz KUHNAMTWOLKMED-UHFFFAOYSA-N 2 1 341.455 3.120 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@H]2c2cnccn2)cc1 ZINC001204266977 1370427415 /nfs/dbraw/zinc/42/74/15/1370427415.db2.gz CDMDEBGATDRMEE-FQEVSTJZSA-N 2 1 340.471 3.144 20 0 EGADMP COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204269238 1370428325 /nfs/dbraw/zinc/42/83/25/1370428325.db2.gz YAEMSKMRXMOATD-IBGZPJMESA-N 2 1 334.504 3.407 20 0 EGADMP C[C@H]1c2cccn2CC[N@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204270676 1370428405 /nfs/dbraw/zinc/42/84/05/1370428405.db2.gz YEWCSVHVSGQXFU-KRWDZBQOSA-N 2 1 327.472 3.395 20 0 EGADMP C[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204270676 1370428407 /nfs/dbraw/zinc/42/84/07/1370428407.db2.gz YEWCSVHVSGQXFU-KRWDZBQOSA-N 2 1 327.472 3.395 20 0 EGADMP CNc1ccc(C)cc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001204422914 1370473010 /nfs/dbraw/zinc/47/30/10/1370473010.db2.gz USGNIWPNIVFLBV-OALUTQOASA-N 2 1 344.547 3.027 20 0 EGADMP Cc1c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cnn1C ZINC001204577059 1370520617 /nfs/dbraw/zinc/52/06/17/1370520617.db2.gz PHUHAQOGNNDZCF-VQTJNVASSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cnn1C ZINC001204577059 1370520621 /nfs/dbraw/zinc/52/06/21/1370520621.db2.gz PHUHAQOGNNDZCF-VQTJNVASSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cnn1C ZINC001204577059 1370520623 /nfs/dbraw/zinc/52/06/23/1370520623.db2.gz PHUHAQOGNNDZCF-VQTJNVASSA-N 2 1 338.499 3.073 20 0 EGADMP OC1(Cc2ccccc2)CC[NH+](CCC[NH2+]C2CCCCC2)CC1 ZINC001204621923 1370531849 /nfs/dbraw/zinc/53/18/49/1370531849.db2.gz SATNCYNOLSSZMB-UHFFFAOYSA-N 2 1 330.516 3.368 20 0 EGADMP Fc1ccc(C[NH+]2CCN(CCC[NH2+]C3CCCCC3)CC2)cc1 ZINC001204646624 1370536440 /nfs/dbraw/zinc/53/64/40/1370536440.db2.gz XNSYQQTZUOULMI-UHFFFAOYSA-N 2 1 333.495 3.256 20 0 EGADMP C[NH+](C)CCN1CC[NH+](Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC001204717204 1370553294 /nfs/dbraw/zinc/55/32/94/1370553294.db2.gz BVQDTZXYHGZMQK-UHFFFAOYSA-N 2 1 347.890 3.279 20 0 EGADMP CC(C)(C[N@H+]1CCO[C@H](CC[NH3+])C1)Sc1ccc(Cl)cc1 ZINC001204756677 1370567512 /nfs/dbraw/zinc/56/75/12/1370567512.db2.gz RPVSPEDGAHVECO-CQSZACIVSA-N 2 1 328.909 3.260 20 0 EGADMP [NH3+]CC[C@H]1C[N@@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)CCO1 ZINC001204756301 1370567857 /nfs/dbraw/zinc/56/78/57/1370567857.db2.gz MXYLAQIPECNOPC-KRWDZBQOSA-N 2 1 335.451 3.385 20 0 EGADMP [NH3+]CC[C@H]1C[N@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CCO1 ZINC001204757241 1370569149 /nfs/dbraw/zinc/56/91/49/1370569149.db2.gz XFCRPZUDZNCTCK-IBGZPJMESA-N 2 1 330.403 3.168 20 0 EGADMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CCO1 ZINC001204757241 1370569154 /nfs/dbraw/zinc/56/91/54/1370569154.db2.gz XFCRPZUDZNCTCK-IBGZPJMESA-N 2 1 330.403 3.168 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CCCCC1 ZINC001115571677 1370573783 /nfs/dbraw/zinc/57/37/83/1370573783.db2.gz JYMINQUVIBWZKY-SFHVURJKSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115571685 1370573886 /nfs/dbraw/zinc/57/38/86/1370573886.db2.gz KFDWASRCHGBOGL-LJQANCHMSA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC001115573893 1370576565 /nfs/dbraw/zinc/57/65/65/1370576565.db2.gz XUYUCSRSIUKXNA-QGZVFWFLSA-N 2 1 346.519 3.215 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579436 1370582901 /nfs/dbraw/zinc/58/29/01/1370582901.db2.gz NYXORBXMFFSIOD-SFHVURJKSA-N 2 1 337.552 3.316 20 0 EGADMP C[N@@H+](CCc1cccc(C(F)(F)F)n1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001204885362 1370596581 /nfs/dbraw/zinc/59/65/81/1370596581.db2.gz QRFQZDGIGUDQII-UHFFFAOYSA-N 2 1 349.400 3.421 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115611433 1370610474 /nfs/dbraw/zinc/61/04/74/1370610474.db2.gz HZQQJACQXLWRLP-IBGZPJMESA-N 2 1 349.563 3.316 20 0 EGADMP Clc1cc(Cl)cc(C2=CC[N@@H+](CC[C@H]3C[NH2+]CCO3)CC2)c1 ZINC001205000498 1370624961 /nfs/dbraw/zinc/62/49/61/1370624961.db2.gz GFKUBZUCQDDTGX-KRWDZBQOSA-N 2 1 341.282 3.461 20 0 EGADMP CC1CC(C[NH2+]C2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCCCC2)C1 ZINC001115692596 1370673802 /nfs/dbraw/zinc/67/38/02/1370673802.db2.gz XRJZMIXKDQTYCP-JEVOJNTISA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205241991 1370693195 /nfs/dbraw/zinc/69/31/95/1370693195.db2.gz KQTDQJJPZOWHFD-LJQANCHMSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001205242973 1370693344 /nfs/dbraw/zinc/69/33/44/1370693344.db2.gz XSGDKEQSLUVVDU-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)CC1 ZINC001205257976 1370697927 /nfs/dbraw/zinc/69/79/27/1370697927.db2.gz ZPVWSVWJEWRAMI-LJQANCHMSA-N 2 1 345.874 3.078 20 0 EGADMP C[NH+](C)CCCOc1ccc(-c2ccc3c(c2)C[N@H+](C)CC3)cn1 ZINC001205261044 1370698707 /nfs/dbraw/zinc/69/87/07/1370698707.db2.gz BBHIKTANSSCYMZ-UHFFFAOYSA-N 2 1 325.456 3.067 20 0 EGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cncc(OCc3ccccc3)c2)CC1 ZINC001205297063 1370711295 /nfs/dbraw/zinc/71/12/95/1370711295.db2.gz YHKFWRFUIYNLFW-HXUWFJFHSA-N 2 1 325.456 3.364 20 0 EGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)CC1 ZINC001205297063 1370711301 /nfs/dbraw/zinc/71/13/01/1370711301.db2.gz YHKFWRFUIYNLFW-HXUWFJFHSA-N 2 1 325.456 3.364 20 0 EGADMP C[C@H]1CC[N@H+](Cc2c(Br)[nH]c3ccccc32)C[C@@H]1C[NH3+] ZINC001205303170 1370713814 /nfs/dbraw/zinc/71/38/14/1370713814.db2.gz AHKXGRYJWXVLDP-RYUDHWBXSA-N 2 1 336.277 3.347 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c(Br)[nH]c3ccccc32)C[C@@H]1C[NH3+] ZINC001205303170 1370713817 /nfs/dbraw/zinc/71/38/17/1370713817.db2.gz AHKXGRYJWXVLDP-RYUDHWBXSA-N 2 1 336.277 3.347 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C[C@@H]1C[NH3+] ZINC001205305929 1370715050 /nfs/dbraw/zinc/71/50/50/1370715050.db2.gz UNWCAALHCSEMQC-RYUDHWBXSA-N 2 1 336.277 3.347 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C[C@H]1C[NH3+] ZINC001205306698 1370715280 /nfs/dbraw/zinc/71/52/80/1370715280.db2.gz YXLASFURLBIRMU-FUHWJXTLSA-N 2 1 334.467 3.442 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cccc3cc(Br)cnc32)C[C@@H]1C[NH3+] ZINC001205315383 1370719030 /nfs/dbraw/zinc/71/90/30/1370719030.db2.gz FMOQASZGIZRMDU-DOMZBBRYSA-N 2 1 348.288 3.414 20 0 EGADMP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001205420545 1370749326 /nfs/dbraw/zinc/74/93/26/1370749326.db2.gz ZMNDRPSQTIXLQB-PXDRNWIDSA-N 2 1 349.563 3.435 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001205526108 1370781497 /nfs/dbraw/zinc/78/14/97/1370781497.db2.gz DMROSWRKIQAZMS-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001205526403 1370781511 /nfs/dbraw/zinc/78/15/11/1370781511.db2.gz SXYVSEMADXIRAO-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001205548900 1370787520 /nfs/dbraw/zinc/78/75/20/1370787520.db2.gz MUTQXKXUEGCKTR-KRWDZBQOSA-N 2 1 345.531 3.306 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)ccc1Br ZINC001205560005 1370791394 /nfs/dbraw/zinc/79/13/94/1370791394.db2.gz YBJSWKIQNQWFHW-OAHLLOKOSA-N 2 1 329.257 3.410 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(C(F)(F)F)c1 ZINC001205570336 1370795244 /nfs/dbraw/zinc/79/52/44/1370795244.db2.gz INSQGTRKVGNJRL-HNNXBMFYSA-N 2 1 334.357 3.367 20 0 EGADMP Cc1cc(Br)sc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205582253 1370799421 /nfs/dbraw/zinc/79/94/21/1370799421.db2.gz XMSLQOOJYNRXSG-ZDUSSCGKSA-N 2 1 335.286 3.472 20 0 EGADMP CCOC(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205591020 1370803004 /nfs/dbraw/zinc/80/30/04/1370803004.db2.gz BJYFWWYBZYDEER-KRWDZBQOSA-N 2 1 342.842 3.170 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(Cl)c1OC ZINC001205618689 1370812315 /nfs/dbraw/zinc/81/23/15/1370812315.db2.gz YEJQJQVQJZMNMS-STQMWFEESA-N 2 1 326.868 3.164 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccc(Br)nc2Cl)CC[C@@H]1C[NH3+] ZINC001205618302 1370812370 /nfs/dbraw/zinc/81/23/70/1370812370.db2.gz UITAWAPKFRWUFN-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Br)nc2Cl)CC[C@@H]1C[NH3+] ZINC001205618302 1370812372 /nfs/dbraw/zinc/81/23/72/1370812372.db2.gz UITAWAPKFRWUFN-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cc(Br)cnc2Cl)CC[C@@H]1C[NH3+] ZINC001205618743 1370812815 /nfs/dbraw/zinc/81/28/15/1370812815.db2.gz YQCIAJMBXBJJDH-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc(Br)cnc2Cl)CC[C@@H]1C[NH3+] ZINC001205618743 1370812821 /nfs/dbraw/zinc/81/28/21/1370812821.db2.gz YQCIAJMBXBJJDH-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)ccn2)CC[C@H]1C[NH3+] ZINC001205637817 1370821265 /nfs/dbraw/zinc/82/12/65/1370821265.db2.gz IZINTUFJFUSUJX-MJGOQNOKSA-N 2 1 339.483 3.467 20 0 EGADMP C[C@H]1CC[N@H+](Cc2nc(Cl)ccc2Br)CC[C@@H]1C[NH3+] ZINC001205638287 1370822860 /nfs/dbraw/zinc/82/28/60/1370822860.db2.gz LYKAMMPWEDBZLO-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2nc(Cl)ccc2Br)CC[C@@H]1C[NH3+] ZINC001205638287 1370822863 /nfs/dbraw/zinc/82/28/63/1370822863.db2.gz LYKAMMPWEDBZLO-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)CC[C@H]1C[NH3+] ZINC001205652682 1370828996 /nfs/dbraw/zinc/82/89/96/1370828996.db2.gz QQBCYVDWPCRXTP-UWVGGRQHSA-N 2 1 342.274 3.023 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c(Br)ccc(O)c2F)CC[C@@H]1C[NH3+] ZINC001205651265 1370829422 /nfs/dbraw/zinc/82/94/22/1370829422.db2.gz BUJKISNEULTJEO-GHMZBOCLSA-N 2 1 345.256 3.101 20 0 EGADMP COc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1Br ZINC001205654968 1370831117 /nfs/dbraw/zinc/83/11/17/1370831117.db2.gz YSAUETFCUINACN-QWHCGFSZSA-N 2 1 341.293 3.265 20 0 EGADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205673891 1370837668 /nfs/dbraw/zinc/83/76/68/1370837668.db2.gz VHGYFDMNZKPLAD-OAQYLSRUSA-N 2 1 340.467 3.038 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc(F)c(Oc3ccccc3)c2)C1 ZINC001205688348 1370843703 /nfs/dbraw/zinc/84/37/03/1370843703.db2.gz GDOCMRKZADNWFD-HXUWFJFHSA-N 2 1 344.430 3.294 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(F)c(Oc3ccccc3)c2)C1 ZINC001205688348 1370843706 /nfs/dbraw/zinc/84/37/06/1370843706.db2.gz GDOCMRKZADNWFD-HXUWFJFHSA-N 2 1 344.430 3.294 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC(C[NH2+]CCC2CC2)CC1)C1CCCCC1 ZINC001205761937 1370862610 /nfs/dbraw/zinc/86/26/10/1370862610.db2.gz GBNWCYGPWZOQDC-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CN(C)c1cc[nH+]cc1Nc1ccc(C2([NH+]3CCOCC3)CC2)cc1 ZINC001205791200 1370872354 /nfs/dbraw/zinc/87/23/54/1370872354.db2.gz OOCNERLDVNOISN-UHFFFAOYSA-N 2 1 338.455 3.213 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CCC[C@H]1C[NH3+] ZINC001206003908 1370935656 /nfs/dbraw/zinc/93/56/56/1370935656.db2.gz NKHQIKFQIDSDCG-RYUDHWBXSA-N 2 1 340.393 3.389 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CCC[C@H]1C[NH3+] ZINC001206003906 1370935695 /nfs/dbraw/zinc/93/56/95/1370935695.db2.gz NKHQIKFQIDSDCG-NEPJUHHUSA-N 2 1 340.393 3.389 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cc(Br)ncc2Cl)CCC[C@@H]1C[NH3+] ZINC001206026296 1370942076 /nfs/dbraw/zinc/94/20/76/1370942076.db2.gz RJWFMOIXKJLUGY-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc(Br)ncc2Cl)CCC[C@@H]1C[NH3+] ZINC001206026296 1370942079 /nfs/dbraw/zinc/94/20/79/1370942079.db2.gz RJWFMOIXKJLUGY-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@H+](Cc2c(Br)ccnc2Cl)CCC[C@@H]1C[NH3+] ZINC001206028918 1370942942 /nfs/dbraw/zinc/94/29/42/1370942942.db2.gz ZSEZZWXLGGPZOY-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c(Br)ccnc2Cl)CCC[C@@H]1C[NH3+] ZINC001206028918 1370942946 /nfs/dbraw/zinc/94/29/46/1370942946.db2.gz ZSEZZWXLGGPZOY-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccnc2OCc2ccccc2)CCC[C@H]1C[NH3+] ZINC001206036048 1370945215 /nfs/dbraw/zinc/94/52/15/1370945215.db2.gz FSQALNJAKZUBBX-MJGOQNOKSA-N 2 1 339.483 3.467 20 0 EGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)CC[C@H]1F ZINC001206196627 1370989927 /nfs/dbraw/zinc/98/99/27/1370989927.db2.gz CIYLOGUZLMWHMC-WBVHZDCISA-N 2 1 335.373 3.288 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)CC[C@H]1F ZINC001206196627 1370989930 /nfs/dbraw/zinc/98/99/30/1370989930.db2.gz CIYLOGUZLMWHMC-WBVHZDCISA-N 2 1 335.373 3.288 20 0 EGADMP COc1cc(OC)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c2ccccc12 ZINC001206210512 1370994326 /nfs/dbraw/zinc/99/43/26/1370994326.db2.gz KNXBJOYUBPYEOJ-IRXDYDNUSA-N 2 1 332.419 3.118 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]CCC3CCCCC3)CC2)C1 ZINC001206274461 1371009887 /nfs/dbraw/zinc/00/98/87/1371009887.db2.gz IFMHSNZYAOXANQ-GOSISDBHSA-N 2 1 349.563 3.127 20 0 EGADMP OC1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001117677483 1371061784 /nfs/dbraw/zinc/06/17/84/1371061784.db2.gz GSFJRJIDWAGHSP-BWQRXAFVSA-N 2 1 328.500 3.465 20 0 EGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(-n3cccn3)c(Cl)c2)C1 ZINC001206572555 1371096946 /nfs/dbraw/zinc/09/69/46/1371096946.db2.gz CNSGCDAPUQILCP-GOSISDBHSA-N 2 1 332.879 3.477 20 0 EGADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)C1 ZINC001206582274 1371099064 /nfs/dbraw/zinc/09/90/64/1371099064.db2.gz NJTLZDRBQSTNIM-OAHLLOKOSA-N 2 1 342.274 3.167 20 0 EGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)C1 ZINC001206582274 1371099068 /nfs/dbraw/zinc/09/90/68/1371099068.db2.gz NJTLZDRBQSTNIM-OAHLLOKOSA-N 2 1 342.274 3.167 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]CCCC)CC1 ZINC001206621694 1371111179 /nfs/dbraw/zinc/11/11/79/1371111179.db2.gz CCJQVCBQOWLMOB-UHFFFAOYSA-N 2 1 325.541 3.127 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(OCc3ccccc3)ccn2)C1 ZINC001206633041 1371114634 /nfs/dbraw/zinc/11/46/34/1371114634.db2.gz RUUICENVTBGOQY-SFHVURJKSA-N 2 1 325.456 3.221 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(OCc3ccccc3)ccn2)C1 ZINC001206633041 1371114638 /nfs/dbraw/zinc/11/46/38/1371114638.db2.gz RUUICENVTBGOQY-SFHVURJKSA-N 2 1 325.456 3.221 20 0 EGADMP Cc1cc(F)cc(Br)c1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206646461 1371118234 /nfs/dbraw/zinc/11/82/34/1371118234.db2.gz CMIWGHFZABVNNE-GFCCVEGCSA-N 2 1 329.257 3.457 20 0 EGADMP Cc1cc(F)cc(Br)c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206646461 1371118237 /nfs/dbraw/zinc/11/82/37/1371118237.db2.gz CMIWGHFZABVNNE-GFCCVEGCSA-N 2 1 329.257 3.457 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118180735 1371141976 /nfs/dbraw/zinc/14/19/76/1371141976.db2.gz MHMIPNYQJOCLEH-UHFFFAOYSA-N 2 1 338.499 3.455 20 0 EGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CCCc1ccc(Br)cc1 ZINC001206761278 1371155725 /nfs/dbraw/zinc/15/57/25/1371155725.db2.gz VXDLEMBQNOUFGO-UKRRQHHQSA-N 2 1 325.294 3.441 20 0 EGADMP COc1ccc(-c2ncc(C[N@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)s2)cc1 ZINC001206768347 1371158699 /nfs/dbraw/zinc/15/86/99/1371158699.db2.gz JUTRCWXEXLDPOA-UONOGXRCSA-N 2 1 331.485 3.378 20 0 EGADMP CN(C)c1ncc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)s1 ZINC001119031303 1371266858 /nfs/dbraw/zinc/26/68/58/1371266858.db2.gz LAIWCLHUOFDAMS-YOEHRIQHSA-N 2 1 336.549 3.329 20 0 EGADMP O[C@]1(CF)CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207286079 1371349471 /nfs/dbraw/zinc/34/94/71/1371349471.db2.gz DQDOGKVASRUXCJ-HXUWFJFHSA-N 2 1 334.479 3.085 20 0 EGADMP CC1(C)C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)[C@@](C)(CO)C1 ZINC001207287294 1371352093 /nfs/dbraw/zinc/35/20/93/1371352093.db2.gz RVZZHBLYSSPDKV-OAQYLSRUSA-N 2 1 330.516 3.382 20 0 EGADMP COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC001207399865 1371384835 /nfs/dbraw/zinc/38/48/35/1371384835.db2.gz XOPHCWNVBQZUOP-UXHICEINSA-N 2 1 344.499 3.140 20 0 EGADMP COc1ccccc1CC[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001207453275 1371399441 /nfs/dbraw/zinc/39/94/41/1371399441.db2.gz FCLIZSXYKNEWCC-NRFANRHFSA-N 2 1 346.515 3.061 20 0 EGADMP COc1ccccc1CC[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001207453275 1371399444 /nfs/dbraw/zinc/39/94/44/1371399444.db2.gz FCLIZSXYKNEWCC-NRFANRHFSA-N 2 1 346.515 3.061 20 0 EGADMP COc1ccccc1CC[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001207453275 1371399445 /nfs/dbraw/zinc/39/94/45/1371399445.db2.gz FCLIZSXYKNEWCC-NRFANRHFSA-N 2 1 346.515 3.061 20 0 EGADMP COc1ccccc1CC[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001207453275 1371399450 /nfs/dbraw/zinc/39/94/50/1371399450.db2.gz FCLIZSXYKNEWCC-NRFANRHFSA-N 2 1 346.515 3.061 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccc(F)cc1)C2 ZINC001207512422 1371421161 /nfs/dbraw/zinc/42/11/61/1371421161.db2.gz OYAWXEPJQXNDKA-FPOVZHCZSA-N 2 1 346.490 3.049 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCc1ccc(F)cc1)C2 ZINC001207512422 1371421164 /nfs/dbraw/zinc/42/11/64/1371421164.db2.gz OYAWXEPJQXNDKA-FPOVZHCZSA-N 2 1 346.490 3.049 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCc1ccc(F)cc1)C2 ZINC001207512422 1371421167 /nfs/dbraw/zinc/42/11/67/1371421167.db2.gz OYAWXEPJQXNDKA-FPOVZHCZSA-N 2 1 346.490 3.049 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207537676 1371428988 /nfs/dbraw/zinc/42/89/88/1371428988.db2.gz GONHRTUWFGZNQM-IEVDXQOXSA-N 2 1 349.563 3.147 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001207537676 1371428992 /nfs/dbraw/zinc/42/89/92/1371428992.db2.gz GONHRTUWFGZNQM-IEVDXQOXSA-N 2 1 349.563 3.147 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001207537676 1371428994 /nfs/dbraw/zinc/42/89/94/1371428994.db2.gz GONHRTUWFGZNQM-IEVDXQOXSA-N 2 1 349.563 3.147 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC)CCCCC1 ZINC001119988844 1371443654 /nfs/dbraw/zinc/44/36/54/1371443654.db2.gz CRUFYTHJVNSVII-SFHVURJKSA-N 2 1 337.552 3.460 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207790076 1371505140 /nfs/dbraw/zinc/50/51/40/1371505140.db2.gz KVWSDRZIXSOKEI-WIDBLJPWSA-N 2 1 349.563 3.432 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001207790076 1371505143 /nfs/dbraw/zinc/50/51/43/1371505143.db2.gz KVWSDRZIXSOKEI-WIDBLJPWSA-N 2 1 349.563 3.432 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001207790076 1371505148 /nfs/dbraw/zinc/50/51/48/1371505148.db2.gz KVWSDRZIXSOKEI-WIDBLJPWSA-N 2 1 349.563 3.432 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](CC3(C)COC3)C[C@@H]21 ZINC001207796625 1371507322 /nfs/dbraw/zinc/50/73/22/1371507322.db2.gz YUNKHLDMLBMVQZ-RYQLBKOJSA-N 2 1 334.529 3.317 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](CC3(C)COC3)C[C@@H]21 ZINC001207796625 1371507325 /nfs/dbraw/zinc/50/73/25/1371507325.db2.gz YUNKHLDMLBMVQZ-RYQLBKOJSA-N 2 1 334.529 3.317 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](CC3(C)COC3)C[C@@H]21 ZINC001207796625 1371507327 /nfs/dbraw/zinc/50/73/27/1371507327.db2.gz YUNKHLDMLBMVQZ-RYQLBKOJSA-N 2 1 334.529 3.317 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 ZINC001120365616 1371549901 /nfs/dbraw/zinc/54/99/01/1371549901.db2.gz UKWLQRUBVHQPHK-ZWKOTPCHSA-N 2 1 346.519 3.236 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC2CCCC2)C1 ZINC001120422308 1371569159 /nfs/dbraw/zinc/56/91/59/1371569159.db2.gz LHWFSCZYUUSBMZ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC2CC(C)(C)C2)C1 ZINC001120430964 1371573855 /nfs/dbraw/zinc/57/38/55/1371573855.db2.gz PCNGZMCWVWSGJX-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CC2CCC2)C1 ZINC001120449696 1371581485 /nfs/dbraw/zinc/58/14/85/1371581485.db2.gz OZMXJCUVSPXGMO-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC2CCC2)C1 ZINC001120449696 1371581490 /nfs/dbraw/zinc/58/14/90/1371581490.db2.gz OZMXJCUVSPXGMO-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC2CCC2)C1 ZINC001120449696 1371581492 /nfs/dbraw/zinc/58/14/92/1371581492.db2.gz OZMXJCUVSPXGMO-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120463286 1371584972 /nfs/dbraw/zinc/58/49/72/1371584972.db2.gz YFNBYLORARFXGL-UXHICEINSA-N 2 1 349.563 3.366 20 0 EGADMP COc1cccc(O[C@@H]2CCC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)c1 ZINC001208106131 1371596723 /nfs/dbraw/zinc/59/67/23/1371596723.db2.gz FVBWPLHVDRKAKE-LJQANCHMSA-N 2 1 332.488 3.270 20 0 EGADMP COc1ccccc1[C@@H](O)C[N@@H+](CC1(C)CC[NH+](C)CC1)C(C)C ZINC001208108250 1371596778 /nfs/dbraw/zinc/59/67/78/1371596778.db2.gz CBHRGAXBQMLWJU-SFHVURJKSA-N 2 1 334.504 3.171 20 0 EGADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208105650 1371596818 /nfs/dbraw/zinc/59/68/18/1371596818.db2.gz ARLCBGHCTOBLPU-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208112846 1371598553 /nfs/dbraw/zinc/59/85/53/1371598553.db2.gz ZVLRIXVXXPWNDH-JKSUJKDBSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H]2CCNC(=O)OC(C)(C)C)CC1 ZINC001208113524 1371599484 /nfs/dbraw/zinc/59/94/84/1371599484.db2.gz LCBDZIRCOGJQHM-INIZCTEOSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+](C)CC1(C[N@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)CCCC1 ZINC001208188762 1371630340 /nfs/dbraw/zinc/63/03/40/1371630340.db2.gz ASEPQUZNBKCJTJ-INIZCTEOSA-N 2 1 339.524 3.098 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001326310748 1388149573 /nfs/dbraw/zinc/14/95/73/1388149573.db2.gz JPHLQBORZDTOII-UHFFFAOYSA-N 2 1 335.879 3.053 20 0 EGADMP Cc1ccc(NC(=O)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001326310748 1388149577 /nfs/dbraw/zinc/14/95/77/1388149577.db2.gz JPHLQBORZDTOII-UHFFFAOYSA-N 2 1 335.879 3.053 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001208359755 1371734463 /nfs/dbraw/zinc/73/44/63/1371734463.db2.gz ZYGYOKMUSVVCFS-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001208453316 1371771955 /nfs/dbraw/zinc/77/19/55/1371771955.db2.gz DRQLWMLWDSRIMB-LJQANCHMSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001208454318 1371772508 /nfs/dbraw/zinc/77/25/08/1371772508.db2.gz UTYWRXWABOXLBT-SFHVURJKSA-N 2 1 345.531 3.114 20 0 EGADMP CCc1cccc(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)[N@H+](C)CC)C2)c1 ZINC001208454513 1371772678 /nfs/dbraw/zinc/77/26/78/1371772678.db2.gz WXDHTNGXRAPOBL-IBGZPJMESA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001208454059 1371773158 /nfs/dbraw/zinc/77/31/58/1371773158.db2.gz RTDIGZCQFFZYTA-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+]1CCC2(CN(C[C@@H]3CCCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001208590646 1371831119 /nfs/dbraw/zinc/83/11/19/1371831119.db2.gz FEMHSFDBXSPMQD-FQEVSTJZSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC2(C[NH+](C[C@@H]3CCCCN3Cc3ccccc3)C2)CC1 ZINC001208590646 1371831122 /nfs/dbraw/zinc/83/11/22/1371831122.db2.gz FEMHSFDBXSPMQD-FQEVSTJZSA-N 2 1 327.516 3.069 20 0 EGADMP Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001208613065 1371839355 /nfs/dbraw/zinc/83/93/55/1371839355.db2.gz OPQPBBBSDOUGCX-HTUJPFKRSA-N 2 1 345.535 3.220 20 0 EGADMP Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001208613065 1371839358 /nfs/dbraw/zinc/83/93/58/1371839358.db2.gz OPQPBBBSDOUGCX-HTUJPFKRSA-N 2 1 345.535 3.220 20 0 EGADMP Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCC[N@H+](C)C1 ZINC001208613065 1371839364 /nfs/dbraw/zinc/83/93/64/1371839364.db2.gz OPQPBBBSDOUGCX-HTUJPFKRSA-N 2 1 345.535 3.220 20 0 EGADMP Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCC[N@@H+](C)C1 ZINC001208613065 1371839367 /nfs/dbraw/zinc/83/93/67/1371839367.db2.gz OPQPBBBSDOUGCX-HTUJPFKRSA-N 2 1 345.535 3.220 20 0 EGADMP COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)cc1 ZINC001208612569 1371840537 /nfs/dbraw/zinc/84/05/37/1371840537.db2.gz BYJRNCXFCYLFER-LPHOPBHVSA-N 2 1 330.472 3.342 20 0 EGADMP COC(=O)c1ccc([C@@H]2CCCC[N@H+]2C[C@H]2CCC[NH+](C)C2)cc1 ZINC001208612569 1371840541 /nfs/dbraw/zinc/84/05/41/1371840541.db2.gz BYJRNCXFCYLFER-LPHOPBHVSA-N 2 1 330.472 3.342 20 0 EGADMP COC(=O)c1ccc([C@@H]2CCCC[NH+]2C[C@H]2CCC[N@H+](C)C2)cc1 ZINC001208612569 1371840543 /nfs/dbraw/zinc/84/05/43/1371840543.db2.gz BYJRNCXFCYLFER-LPHOPBHVSA-N 2 1 330.472 3.342 20 0 EGADMP COC(=O)c1ccc([C@@H]2CCCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001208612569 1371840545 /nfs/dbraw/zinc/84/05/45/1371840545.db2.gz BYJRNCXFCYLFER-LPHOPBHVSA-N 2 1 330.472 3.342 20 0 EGADMP CC(C)[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208614703 1371840984 /nfs/dbraw/zinc/84/09/84/1371840984.db2.gz FLIYNNXOKYCIGD-DLBZAZTESA-N 2 1 339.524 3.048 20 0 EGADMP CC(C)[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208614703 1371840989 /nfs/dbraw/zinc/84/09/89/1371840989.db2.gz FLIYNNXOKYCIGD-DLBZAZTESA-N 2 1 339.524 3.048 20 0 EGADMP CC(C)[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208614703 1371840997 /nfs/dbraw/zinc/84/09/97/1371840997.db2.gz FLIYNNXOKYCIGD-DLBZAZTESA-N 2 1 339.524 3.048 20 0 EGADMP CC(C)[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208614703 1371841004 /nfs/dbraw/zinc/84/10/04/1371841004.db2.gz FLIYNNXOKYCIGD-DLBZAZTESA-N 2 1 339.524 3.048 20 0 EGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](CCCc2ccc(F)cc2)CC1 ZINC001208771155 1371891183 /nfs/dbraw/zinc/89/11/83/1371891183.db2.gz QPFKGLHUXZMAIS-HXUWFJFHSA-N 2 1 334.479 3.334 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](CCCc2ccc(F)cc2)CC1 ZINC001208771155 1371891186 /nfs/dbraw/zinc/89/11/86/1371891186.db2.gz QPFKGLHUXZMAIS-HXUWFJFHSA-N 2 1 334.479 3.334 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001121294974 1371926671 /nfs/dbraw/zinc/92/66/71/1371926671.db2.gz KBZDMEROIQGAGS-SGPNKGFISA-N 2 1 349.563 3.170 20 0 EGADMP CC(C)n1nc(CN(C)C)c2c1C[N@@H+](C[C@@H](C)C(F)(F)F)CC2 ZINC001208886631 1371932022 /nfs/dbraw/zinc/93/20/22/1371932022.db2.gz DLLBYEYTUOWYDF-GFCCVEGCSA-N 2 1 332.414 3.082 20 0 EGADMP CC(C)n1nc(CN(C)C)c2c1CN(C[C@@H](C)C(F)(F)F)CC2 ZINC001208886631 1371932028 /nfs/dbraw/zinc/93/20/28/1371932028.db2.gz DLLBYEYTUOWYDF-GFCCVEGCSA-N 2 1 332.414 3.082 20 0 EGADMP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001121325981 1371937471 /nfs/dbraw/zinc/93/74/71/1371937471.db2.gz SAZJADNAIFTYNY-CMDGGOBGSA-N 2 1 335.536 3.090 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+](CC3CCN(c4ccccc4)CC3)C[C@@H]2C1 ZINC001208910677 1371940239 /nfs/dbraw/zinc/94/02/39/1371940239.db2.gz IZEXCTAPUCBLAX-BGYRXZFFSA-N 2 1 327.516 3.177 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@@H+](CC3CCN(c4ccccc4)CC3)C[C@@H]2C1 ZINC001208910677 1371940243 /nfs/dbraw/zinc/94/02/43/1371940243.db2.gz IZEXCTAPUCBLAX-BGYRXZFFSA-N 2 1 327.516 3.177 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@H+](CC3CCN(c4ccccc4)CC3)C[C@@H]2C1 ZINC001208910677 1371940245 /nfs/dbraw/zinc/94/02/45/1371940245.db2.gz IZEXCTAPUCBLAX-BGYRXZFFSA-N 2 1 327.516 3.177 20 0 EGADMP CCC(=O)C(C)(C)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001208921489 1371945683 /nfs/dbraw/zinc/94/56/83/1371945683.db2.gz LJLIHTVKUSRCGS-MOPGFXCFSA-N 2 1 328.500 3.446 20 0 EGADMP CCC(=O)C(C)(C)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001208921489 1371945685 /nfs/dbraw/zinc/94/56/85/1371945685.db2.gz LJLIHTVKUSRCGS-MOPGFXCFSA-N 2 1 328.500 3.446 20 0 EGADMP CCC(=O)C(C)(C)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208921489 1371945687 /nfs/dbraw/zinc/94/56/87/1371945687.db2.gz LJLIHTVKUSRCGS-MOPGFXCFSA-N 2 1 328.500 3.446 20 0 EGADMP CCC(=O)C(C)(C)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208921489 1371945688 /nfs/dbraw/zinc/94/56/88/1371945688.db2.gz LJLIHTVKUSRCGS-MOPGFXCFSA-N 2 1 328.500 3.446 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]1C ZINC001208938700 1371954545 /nfs/dbraw/zinc/95/45/45/1371954545.db2.gz DGMXTHMQOJAVSI-MISYRCLQSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]1C ZINC001208938700 1371954548 /nfs/dbraw/zinc/95/45/48/1371954548.db2.gz DGMXTHMQOJAVSI-MISYRCLQSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC001208938700 1371954552 /nfs/dbraw/zinc/95/45/52/1371954552.db2.gz DGMXTHMQOJAVSI-MISYRCLQSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC001208938700 1371954554 /nfs/dbraw/zinc/95/45/54/1371954554.db2.gz DGMXTHMQOJAVSI-MISYRCLQSA-N 2 1 344.499 3.172 20 0 EGADMP CC[NH+]1CCC(N(C)C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208937079 1371955355 /nfs/dbraw/zinc/95/53/55/1371955355.db2.gz RABPATGYDILWNF-FQEVSTJZSA-N 2 1 329.532 3.315 20 0 EGADMP OCC[N@@H+](Cc1cccs1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208947374 1371958360 /nfs/dbraw/zinc/95/83/60/1371958360.db2.gz BBPYDZJUXSDRJC-SFHVURJKSA-N 2 1 330.497 3.065 20 0 EGADMP OCC[N@H+](Cc1cccs1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208947374 1371958366 /nfs/dbraw/zinc/95/83/66/1371958366.db2.gz BBPYDZJUXSDRJC-SFHVURJKSA-N 2 1 330.497 3.065 20 0 EGADMP OCC[NH+](Cc1cccs1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208947374 1371958368 /nfs/dbraw/zinc/95/83/68/1371958368.db2.gz BBPYDZJUXSDRJC-SFHVURJKSA-N 2 1 330.497 3.065 20 0 EGADMP OCC[NH+](Cc1cccs1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208947374 1371958376 /nfs/dbraw/zinc/95/83/76/1371958376.db2.gz BBPYDZJUXSDRJC-SFHVURJKSA-N 2 1 330.497 3.065 20 0 EGADMP CCN(CC[NH+]1CCCCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208951279 1371961036 /nfs/dbraw/zinc/96/10/36/1371961036.db2.gz BGSWCTKLRNVCBW-NRFANRHFSA-N 2 1 329.532 3.316 20 0 EGADMP CCCC[NH+]1CCC([N@H+](C)C[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001209007301 1371973108 /nfs/dbraw/zinc/97/31/08/1371973108.db2.gz MOZNKGSRFSMYQJ-KRWDZBQOSA-N 2 1 339.524 3.192 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001209007301 1371973110 /nfs/dbraw/zinc/97/31/10/1371973110.db2.gz MOZNKGSRFSMYQJ-KRWDZBQOSA-N 2 1 339.524 3.192 20 0 EGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001209204501 1372037369 /nfs/dbraw/zinc/03/73/69/1372037369.db2.gz IYNWJDXAGHAIHU-MOPGFXCFSA-N 2 1 337.552 3.269 20 0 EGADMP c1csc(CC[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001209225397 1372043004 /nfs/dbraw/zinc/04/30/04/1372043004.db2.gz PWLAZXDZHGMHNP-IEBWSBKVSA-N 2 1 334.529 3.113 20 0 EGADMP c1csc(CC[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001209225397 1372043009 /nfs/dbraw/zinc/04/30/09/1372043009.db2.gz PWLAZXDZHGMHNP-IEBWSBKVSA-N 2 1 334.529 3.113 20 0 EGADMP c1csc(CC[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001209225397 1372043012 /nfs/dbraw/zinc/04/30/12/1372043012.db2.gz PWLAZXDZHGMHNP-IEBWSBKVSA-N 2 1 334.529 3.113 20 0 EGADMP c1csc(CC[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001209225397 1372043015 /nfs/dbraw/zinc/04/30/15/1372043015.db2.gz PWLAZXDZHGMHNP-IEBWSBKVSA-N 2 1 334.529 3.113 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001209250721 1372051109 /nfs/dbraw/zinc/05/11/09/1372051109.db2.gz IMVDPNTWYZTOFA-PMEOWRCESA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C\CCCCCC[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001209285111 1372058112 /nfs/dbraw/zinc/05/81/12/1372058112.db2.gz DYVHXBCDXQGHIY-PLNGDYQASA-N 2 1 349.563 3.389 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CC4Cc5ccccc5C4)C[C@H]3C2)cc1 ZINC001209321715 1372068476 /nfs/dbraw/zinc/06/84/76/1372068476.db2.gz JMRVLTHLPSRANY-ZRZAMGCNSA-N 2 1 332.491 3.465 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CC4Cc5ccccc5C4)C[C@H]3C2)cc1 ZINC001209321715 1372068482 /nfs/dbraw/zinc/06/84/82/1372068482.db2.gz JMRVLTHLPSRANY-ZRZAMGCNSA-N 2 1 332.491 3.465 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CC4Cc5ccccc5C4)C[C@H]3C2)cc1 ZINC001209321715 1372068489 /nfs/dbraw/zinc/06/84/89/1372068489.db2.gz JMRVLTHLPSRANY-ZRZAMGCNSA-N 2 1 332.491 3.465 20 0 EGADMP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001121791299 1372082140 /nfs/dbraw/zinc/08/21/40/1372082140.db2.gz KSNKRWULZWKWEQ-FPLPWBNLSA-N 2 1 349.563 3.338 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001121790821 1372082475 /nfs/dbraw/zinc/08/24/75/1372082475.db2.gz DKLISOAFONTHPZ-UEBDJUODSA-N 2 1 337.552 3.027 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209450412 1372109389 /nfs/dbraw/zinc/10/93/89/1372109389.db2.gz IVSZADIMKOJHQR-QGZVFWFLSA-N 2 1 339.524 3.051 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001121897351 1372117675 /nfs/dbraw/zinc/11/76/75/1372117675.db2.gz ZKSBHKTYIGZHRF-IRRXANFSSA-N 2 1 346.519 3.042 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CCC1CCCCC1)C2 ZINC001122021592 1372154808 /nfs/dbraw/zinc/15/48/08/1372154808.db2.gz BAJJQLXQMPTTGH-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001209688528 1372170208 /nfs/dbraw/zinc/17/02/08/1372170208.db2.gz CYBSGKBUGBJULD-IEBWSBKVSA-N 2 1 345.531 3.306 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209883729 1372222112 /nfs/dbraw/zinc/22/21/12/1372222112.db2.gz OKYOVKFDPAXLEU-DKFQHHCZSA-N 2 1 346.519 3.334 20 0 EGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001210133799 1372278128 /nfs/dbraw/zinc/27/81/28/1372278128.db2.gz SDKQRMZJJPWJKP-SFHVURJKSA-N 2 1 334.508 3.133 20 0 EGADMP Cc1cnn(-c2cccc(C)c2)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210264548 1372309528 /nfs/dbraw/zinc/30/95/28/1372309528.db2.gz TYBICASCAKBNNQ-UHFFFAOYSA-N 2 1 348.454 3.037 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001210790160 1372427077 /nfs/dbraw/zinc/42/70/77/1372427077.db2.gz VJNBAPBFHQVRKU-HXUWFJFHSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001210796756 1372428030 /nfs/dbraw/zinc/42/80/30/1372428030.db2.gz JMVYMFFLFYYKOY-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001210810623 1372430347 /nfs/dbraw/zinc/43/03/47/1372430347.db2.gz BGOUQCLAMQQRJM-IBGZPJMESA-N 2 1 345.531 3.232 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001210810594 1372430635 /nfs/dbraw/zinc/43/06/35/1372430635.db2.gz AIPHXQJIZONQJQ-BESKYLIDSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094550 1372484695 /nfs/dbraw/zinc/48/46/95/1372484695.db2.gz FOSGISNPPKWQKC-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094921 1372484746 /nfs/dbraw/zinc/48/47/46/1372484746.db2.gz YZEJZJYMFXKCNQ-BGEOSOQGSA-N 2 1 349.563 3.435 20 0 EGADMP Cc1cc(C)c(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)c(C)c1 ZINC001211268282 1372516575 /nfs/dbraw/zinc/51/65/75/1372516575.db2.gz HRYFWPFQBOYFBN-LJQANCHMSA-N 2 1 345.531 3.033 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCCCCF)C1)c1ccccc1 ZINC001211269258 1372517564 /nfs/dbraw/zinc/51/75/64/1372517564.db2.gz OBNNVXJYMNNLHX-OALUTQOASA-N 2 1 349.494 3.010 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211292844 1372522607 /nfs/dbraw/zinc/52/26/07/1372522607.db2.gz SQIGPVJFJJDUHP-YLJYHZDGSA-N 2 1 345.531 3.379 20 0 EGADMP C[NH2+][C@@H](C)CCN[C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC001326473792 1388205886 /nfs/dbraw/zinc/20/58/86/1388205886.db2.gz OAKGGFGOJSDNHR-DLBZAZTESA-N 2 1 333.520 3.330 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211374584 1372543195 /nfs/dbraw/zinc/54/31/95/1372543195.db2.gz JORVPMWBPVQGPR-ODWICZQRSA-N 2 1 349.563 3.290 20 0 EGADMP COc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c(C)c1 ZINC001212145147 1372663727 /nfs/dbraw/zinc/66/37/27/1372663727.db2.gz MESCJYPDERRIGB-INIZCTEOSA-N 2 1 332.448 3.222 20 0 EGADMP C[N@@H+]1CCc2c(sc(Nc3cc[nH+]c(C(C)(C)C)c3)c2C(N)=O)C1 ZINC001213160770 1372850777 /nfs/dbraw/zinc/85/07/77/1372850777.db2.gz KTRAOFRBCUUYRJ-UHFFFAOYSA-N 2 1 344.484 3.271 20 0 EGADMP C[N@H+]1CCc2c(sc(Nc3cc[nH+]c(C(C)(C)C)c3)c2C(N)=O)C1 ZINC001213160770 1372850782 /nfs/dbraw/zinc/85/07/82/1372850782.db2.gz KTRAOFRBCUUYRJ-UHFFFAOYSA-N 2 1 344.484 3.271 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001214611304 1373089594 /nfs/dbraw/zinc/08/95/94/1373089594.db2.gz ZARGAGYZBFIUSO-KURKYZTESA-N 2 1 337.552 3.122 20 0 EGADMP CC1CCC(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001127356444 1373117837 /nfs/dbraw/zinc/11/78/37/1373117837.db2.gz CLEBGBCJAGUCRG-ACBHZAAOSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214855664 1373130230 /nfs/dbraw/zinc/13/02/30/1373130230.db2.gz KJKWDDBDNKYMRY-CEXWTWQISA-N 2 1 337.552 3.122 20 0 EGADMP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855228 1373130240 /nfs/dbraw/zinc/13/02/40/1373130240.db2.gz ANWHATZOAUSWPA-MISYRCLQSA-N 2 1 349.563 3.410 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214855905 1373130539 /nfs/dbraw/zinc/13/05/39/1373130539.db2.gz RGMCVBLWJYLENP-FBYXPACISA-N 2 1 349.563 3.432 20 0 EGADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001214888782 1373136408 /nfs/dbraw/zinc/13/64/08/1373136408.db2.gz BMTMVKRCPRQDOJ-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001216217250 1373282608 /nfs/dbraw/zinc/28/26/08/1373282608.db2.gz MQVQUMHHSBEWRC-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CC1(C)CCC(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001129430743 1373382950 /nfs/dbraw/zinc/38/29/50/1373382950.db2.gz XACIRWVKAGWNQY-IBGZPJMESA-N 2 1 349.563 3.316 20 0 EGADMP [NH3+]CCSC[C@H]([NH3+])c1nnc(-c2ccc(-c3ccccc3)cc2)o1 ZINC001217743740 1373498119 /nfs/dbraw/zinc/49/81/19/1373498119.db2.gz YIPOSJZJGGOTHM-INIZCTEOSA-N 2 1 340.452 3.095 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@@](C)(CO[C@@H]2CCCC[NH2+]C2)O1 ZINC001217773182 1373499635 /nfs/dbraw/zinc/49/96/35/1373499635.db2.gz NNIFOYHNWLUICZ-CTNGQTDRSA-N 2 1 346.515 3.215 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COCC[C@@H]2CCC[NH2+]C2)O1 ZINC001217908528 1373511385 /nfs/dbraw/zinc/51/13/85/1373511385.db2.gz JIIPPZRAMPKYKM-AZUAARDMSA-N 2 1 346.515 3.072 20 0 EGADMP C[C@@H]1C[NH2+]CC[C@H]1OC[C@@]1(C)C[N@@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217917317 1373512134 /nfs/dbraw/zinc/51/21/34/1373512134.db2.gz VUVZGZPIGDAGOA-YFVAEKQCSA-N 2 1 346.515 3.071 20 0 EGADMP c1ccc(C[N@@H+]2CCc3ccc(O[C@H]4CC[C@@]45CC[NH2+]C5)nc3C2)cc1 ZINC001218114728 1373563530 /nfs/dbraw/zinc/56/35/30/1373563530.db2.gz CZUXYCQZMXPOBP-UNMCSNQZSA-N 2 1 349.478 3.161 20 0 EGADMP c1ccc(C[N@H+]2CCc3ccc(O[C@H]4CC[C@@]45CC[NH2+]C5)nc3C2)cc1 ZINC001218114728 1373563532 /nfs/dbraw/zinc/56/35/32/1373563532.db2.gz CZUXYCQZMXPOBP-UNMCSNQZSA-N 2 1 349.478 3.161 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]Cc1ccc(CF)cc1 ZINC001130614610 1373570552 /nfs/dbraw/zinc/57/05/52/1373570552.db2.gz BNXIVBGGWXRLBE-UHFFFAOYSA-N 2 1 349.494 3.015 20 0 EGADMP CC[C@@H]([NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)c1ccccc1 ZINC001130622728 1373571717 /nfs/dbraw/zinc/57/17/17/1373571717.db2.gz XICWZXYILYKHCW-LJQANCHMSA-N 2 1 345.531 3.497 20 0 EGADMP CC(C)=CCC/C(C)=C/CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001220298308 1373764151 /nfs/dbraw/zinc/76/41/51/1373764151.db2.gz ICBYOXPXLDKQGS-MMWCCMKASA-N 2 1 347.547 3.259 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](CN3CCC[C@]4(CCCC[NH2+]4)C3)C2)cc1 ZINC001222385757 1373831559 /nfs/dbraw/zinc/83/15/59/1373831559.db2.gz VZIWRBJHZRXZPO-NHCUHLMSSA-N 2 1 327.516 3.117 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001222689271 1373860899 /nfs/dbraw/zinc/86/08/99/1373860899.db2.gz NHZRZARYLHALOO-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001188362162 1388296719 /nfs/dbraw/zinc/29/67/19/1388296719.db2.gz ZVXYRTWZYAKRAV-KKHYBRAUSA-N 2 1 343.515 3.055 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001188362162 1388296724 /nfs/dbraw/zinc/29/67/24/1388296724.db2.gz ZVXYRTWZYAKRAV-KKHYBRAUSA-N 2 1 343.515 3.055 20 0 EGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001326796355 1388312810 /nfs/dbraw/zinc/31/28/10/1388312810.db2.gz UOLWLLKDRWEYLB-WCXIOVBPSA-N 2 1 339.524 3.285 20 0 EGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001326796352 1388312998 /nfs/dbraw/zinc/31/29/98/1388312998.db2.gz UOLWLLKDRWEYLB-LTIDMASMSA-N 2 1 339.524 3.285 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCc2ncc[nH]2)C[N@H+]1CCC1=CCCCC1 ZINC001132024888 1375104386 /nfs/dbraw/zinc/10/43/86/1375104386.db2.gz JPAFASGLPWKJRK-AEFFLSMTSA-N 2 1 344.503 3.202 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCCC1CCC1 ZINC001132105646 1375149747 /nfs/dbraw/zinc/14/97/47/1375149747.db2.gz KQDIDVZQDUEPPB-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCCC1CCC1 ZINC001132105646 1375149748 /nfs/dbraw/zinc/14/97/48/1375149748.db2.gz KQDIDVZQDUEPPB-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCCC1CCC1 ZINC001132105646 1375149749 /nfs/dbraw/zinc/14/97/49/1375149749.db2.gz KQDIDVZQDUEPPB-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@H](NC(=O)C[NH+](C)C3CCC3)CC[C@@H]2C)cs1 ZINC001132106189 1375151418 /nfs/dbraw/zinc/15/14/18/1375151418.db2.gz QXRHBOSYNZDJIQ-WMLDXEAASA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2C[C@H](NC(=O)C[N@H+](C)C3CCC3)CC[C@@H]2C)cs1 ZINC001132106189 1375151422 /nfs/dbraw/zinc/15/14/22/1375151422.db2.gz QXRHBOSYNZDJIQ-WMLDXEAASA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2C[C@H](NC(=O)C[N@@H+](C)C3CCC3)CC[C@@H]2C)cs1 ZINC001132106189 1375151424 /nfs/dbraw/zinc/15/14/24/1375151424.db2.gz QXRHBOSYNZDJIQ-WMLDXEAASA-N 2 1 349.544 3.010 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCCC1CCC1 ZINC001132107475 1375151754 /nfs/dbraw/zinc/15/17/54/1375151754.db2.gz ZGLKVHPCQMKCRS-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CC1CCCCCC1 ZINC001132106128 1375151928 /nfs/dbraw/zinc/15/19/28/1375151928.db2.gz QHCSVEQIIAEOBC-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CC1CCCCCC1 ZINC001132106128 1375151931 /nfs/dbraw/zinc/15/19/31/1375151931.db2.gz QHCSVEQIIAEOBC-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CC1CCCCCC1 ZINC001132106128 1375151934 /nfs/dbraw/zinc/15/19/34/1375151934.db2.gz QHCSVEQIIAEOBC-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP COc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1OC(F)F ZINC001327004296 1388362947 /nfs/dbraw/zinc/36/29/47/1388362947.db2.gz KBEUEDNCJFILSZ-UHFFFAOYSA-N 2 1 340.414 3.262 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@H+]1CC1CCC1 ZINC001132210319 1375211791 /nfs/dbraw/zinc/21/17/91/1375211791.db2.gz GGOHFNHWYUGFAV-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001226268120 1375231179 /nfs/dbraw/zinc/23/11/79/1375231179.db2.gz YTJQYLYBRUKYFY-MISYRCLQSA-N 2 1 349.563 3.458 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC(C)(C)C)CC[N@H+]1C ZINC001226340977 1375243286 /nfs/dbraw/zinc/24/32/86/1375243286.db2.gz HUAKOMYMUGQJCT-BSDSXHPESA-N 2 1 337.552 3.170 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC/C=C/c1ccccc1 ZINC001132277371 1375260859 /nfs/dbraw/zinc/26/08/59/1375260859.db2.gz GEAYPWXZTBUWSG-ZPPSIVDRSA-N 2 1 343.515 3.011 20 0 EGADMP CC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309662 1375286743 /nfs/dbraw/zinc/28/67/43/1375286743.db2.gz AWHVMHKEQBWGHU-MHEJJFAZSA-N 2 1 337.552 3.290 20 0 EGADMP CC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309662 1375286751 /nfs/dbraw/zinc/28/67/51/1375286751.db2.gz AWHVMHKEQBWGHU-MHEJJFAZSA-N 2 1 337.552 3.290 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@H+]1CCCCCF ZINC001132311704 1375290481 /nfs/dbraw/zinc/29/04/81/1375290481.db2.gz WYYUCYWBCLMONO-IRXDYDNUSA-N 2 1 343.531 3.073 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[NH+]1CCCCCF ZINC001132311704 1375290487 /nfs/dbraw/zinc/29/04/87/1375290487.db2.gz WYYUCYWBCLMONO-IRXDYDNUSA-N 2 1 343.531 3.073 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[NH+]1CCCCCF ZINC001132311704 1375290496 /nfs/dbraw/zinc/29/04/96/1375290496.db2.gz WYYUCYWBCLMONO-IRXDYDNUSA-N 2 1 343.531 3.073 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCC2)C1 ZINC001132335606 1375316052 /nfs/dbraw/zinc/31/60/52/1375316052.db2.gz RDAIYILGHIRQGX-SJLPKXTDSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CCC2)C1 ZINC001132335606 1375316055 /nfs/dbraw/zinc/31/60/55/1375316055.db2.gz RDAIYILGHIRQGX-SJLPKXTDSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCC2)C1 ZINC001132335605 1375317014 /nfs/dbraw/zinc/31/70/14/1375317014.db2.gz RDAIYILGHIRQGX-FUHWJXTLSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CCC2)C1 ZINC001132335605 1375317017 /nfs/dbraw/zinc/31/70/17/1375317017.db2.gz RDAIYILGHIRQGX-FUHWJXTLSA-N 2 1 346.519 3.166 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC=C(C)C)C1 ZINC001132365745 1375331377 /nfs/dbraw/zinc/33/13/77/1375331377.db2.gz PQWPFBLNGRXADI-RTBURBONSA-N 2 1 337.552 3.434 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC=C(C)C)C1 ZINC001132365745 1375331387 /nfs/dbraw/zinc/33/13/87/1375331387.db2.gz PQWPFBLNGRXADI-RTBURBONSA-N 2 1 337.552 3.434 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC=C(C)C)C1 ZINC001132365745 1375331391 /nfs/dbraw/zinc/33/13/91/1375331391.db2.gz PQWPFBLNGRXADI-RTBURBONSA-N 2 1 337.552 3.434 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001132376724 1375338460 /nfs/dbraw/zinc/33/84/60/1375338460.db2.gz PUKHENZMYFKYLN-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001132380847 1375340039 /nfs/dbraw/zinc/34/00/39/1375340039.db2.gz QFKYXHOSOBZHFL-NHQAVIFJSA-N 2 1 349.563 3.434 20 0 EGADMP CCc1ccc(C[NH+]2C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]2C)cc1 ZINC001132409835 1375357912 /nfs/dbraw/zinc/35/79/12/1375357912.db2.gz FTBPCQNJYKFRKH-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@@H]2C)cc1 ZINC001132409835 1375357919 /nfs/dbraw/zinc/35/79/19/1375357919.db2.gz FTBPCQNJYKFRKH-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@@H]2C)cc1 ZINC001132409835 1375357929 /nfs/dbraw/zinc/35/79/29/1375357929.db2.gz FTBPCQNJYKFRKH-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132411028 1375360267 /nfs/dbraw/zinc/36/02/67/1375360267.db2.gz RYBPQUUUVPOCMN-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001132411028 1375360271 /nfs/dbraw/zinc/36/02/71/1375360271.db2.gz RYBPQUUUVPOCMN-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001132411028 1375360276 /nfs/dbraw/zinc/36/02/76/1375360276.db2.gz RYBPQUUUVPOCMN-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132435496 1375380278 /nfs/dbraw/zinc/38/02/78/1375380278.db2.gz FAUKITVBZZVIKR-MSOLQXFVSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001132435496 1375380286 /nfs/dbraw/zinc/38/02/86/1375380286.db2.gz FAUKITVBZZVIKR-MSOLQXFVSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132435496 1375380290 /nfs/dbraw/zinc/38/02/90/1375380290.db2.gz FAUKITVBZZVIKR-MSOLQXFVSA-N 2 1 325.541 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001132442303 1375387021 /nfs/dbraw/zinc/38/70/21/1375387021.db2.gz ZBARESCDDJQTIK-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132442303 1375387024 /nfs/dbraw/zinc/38/70/24/1375387024.db2.gz ZBARESCDDJQTIK-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132442303 1375387029 /nfs/dbraw/zinc/38/70/29/1375387029.db2.gz ZBARESCDDJQTIK-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]2C)c(C)c1 ZINC001132518976 1375437272 /nfs/dbraw/zinc/43/72/72/1375437272.db2.gz QSWPUEULKUYPEX-AZUAARDMSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)c(C)c1 ZINC001132518976 1375437273 /nfs/dbraw/zinc/43/72/73/1375437273.db2.gz QSWPUEULKUYPEX-AZUAARDMSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)c(C)c1 ZINC001132518976 1375437277 /nfs/dbraw/zinc/43/72/77/1375437277.db2.gz QSWPUEULKUYPEX-AZUAARDMSA-N 2 1 345.531 3.113 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC001228040431 1375509355 /nfs/dbraw/zinc/50/93/55/1375509355.db2.gz YPLDQWFVQVVWKS-OAHLLOKOSA-N 2 1 349.494 3.198 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001228063875 1375514573 /nfs/dbraw/zinc/51/45/73/1375514573.db2.gz DYHLCBVNKKVVDQ-UHFFFAOYSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+]Cc2ccccc2C(C)C)C1 ZINC001132738512 1375539573 /nfs/dbraw/zinc/53/95/73/1375539573.db2.gz GLAPEAICHVAIPO-IBGZPJMESA-N 2 1 345.531 3.138 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001228604050 1375612020 /nfs/dbraw/zinc/61/20/20/1375612020.db2.gz WQWOJBBJRBOPFK-QLLBUPAMSA-N 2 1 335.536 3.092 20 0 EGADMP CC[N@H+]1CC[C@@H](Oc2ccc3[nH]cc(C4CC[NH+](C)CC4)c3c2)C1 ZINC001228823875 1375687988 /nfs/dbraw/zinc/68/79/88/1375687988.db2.gz SABWWGJZQOHVSG-QGZVFWFLSA-N 2 1 327.472 3.450 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001228932751 1375720101 /nfs/dbraw/zinc/72/01/01/1375720101.db2.gz USGIZPXKQUZPIS-GUDVDZBRSA-N 2 1 335.536 3.233 20 0 EGADMP c1ccc(C[N@@H+]2CCc3ccc(O[C@H]4C[NH+]5CCC4CC5)nc3C2)cc1 ZINC001229057644 1375753983 /nfs/dbraw/zinc/75/39/83/1375753983.db2.gz LPWVOYJFJANOSY-NRFANRHFSA-N 2 1 349.478 3.113 20 0 EGADMP c1ccc(C[N@H+]2CCc3ccc(O[C@H]4C[NH+]5CCC4CC5)nc3C2)cc1 ZINC001229057644 1375753986 /nfs/dbraw/zinc/75/39/86/1375753986.db2.gz LPWVOYJFJANOSY-NRFANRHFSA-N 2 1 349.478 3.113 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)C ZINC001229125931 1375769650 /nfs/dbraw/zinc/76/96/50/1375769650.db2.gz CWQUOCJNIXBHRT-QZTJIDSGSA-N 2 1 334.508 3.035 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(C)C)C1 ZINC001133185655 1375829320 /nfs/dbraw/zinc/82/93/20/1375829320.db2.gz GYSNPMGQKDIAEV-MOPGFXCFSA-N 2 1 339.568 3.229 20 0 EGADMP CC(C)CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001229462144 1375839957 /nfs/dbraw/zinc/83/99/57/1375839957.db2.gz JEEFKFXJVFQWHO-IBGZPJMESA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CC(C)C ZINC001229523996 1375851348 /nfs/dbraw/zinc/85/13/48/1375851348.db2.gz LNPPWQDLIVJXAO-KZNAEPCWSA-N 2 1 325.541 3.027 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(C)C)c1ccccc1 ZINC001229652278 1375871702 /nfs/dbraw/zinc/87/17/02/1375871702.db2.gz KIKSFJRSUXVENO-VAMGGRTRSA-N 2 1 345.531 3.352 20 0 EGADMP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001229651458 1375872207 /nfs/dbraw/zinc/87/22/07/1375872207.db2.gz BNPNIOHVTYTWMN-VAMGGRTRSA-N 2 1 345.531 3.497 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001133314493 1375917086 /nfs/dbraw/zinc/91/70/86/1375917086.db2.gz NMTPOSHWOIOUKL-BUPXIBQPSA-N 2 1 346.519 3.012 20 0 EGADMP CC(C)[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@@H+](C)C(C)C ZINC001133410577 1375993993 /nfs/dbraw/zinc/99/39/93/1375993993.db2.gz OMNAMHGYCJIWTE-UHFFFAOYSA-N 2 1 339.911 3.007 20 0 EGADMP CCC/C=C/CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001230359981 1376008378 /nfs/dbraw/zinc/00/83/78/1376008378.db2.gz NYGQPTGUZJUBER-GHOSXJJBSA-N 2 1 335.536 3.188 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](CCCCCF)CC1)c1ccccc1 ZINC001230373817 1376010180 /nfs/dbraw/zinc/01/01/80/1376010180.db2.gz BDOGVZYQDGQUDL-LJQANCHMSA-N 2 1 349.494 3.010 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230591954 1376090488 /nfs/dbraw/zinc/09/04/88/1376090488.db2.gz NRIQNZBNBZDNAT-PXDRNWIDSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592031 1376090731 /nfs/dbraw/zinc/09/07/31/1376090731.db2.gz QCJNWGAPPFMTTK-KKHYBRAUSA-N 2 1 349.563 3.388 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CCN1C(=O)OC(C)(C)C ZINC001232012702 1376381167 /nfs/dbraw/zinc/38/11/67/1376381167.db2.gz OIJJKJGWVZROTF-AWEZNQCLSA-N 2 1 344.459 3.394 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CCN1C(=O)OC(C)(C)C ZINC001232012702 1376381172 /nfs/dbraw/zinc/38/11/72/1376381172.db2.gz OIJJKJGWVZROTF-AWEZNQCLSA-N 2 1 344.459 3.394 20 0 EGADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012395 1376382648 /nfs/dbraw/zinc/38/26/48/1376382648.db2.gz HZYLNDZREMOEPW-QRTARXTBSA-N 2 1 342.443 3.050 20 0 EGADMP CN(C[C@@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1)C(=O)OC(C)(C)C ZINC001232017768 1376385801 /nfs/dbraw/zinc/38/58/01/1376385801.db2.gz WHYVIKJDAUAMNI-AWEZNQCLSA-N 2 1 344.459 3.252 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC001232145790 1376408864 /nfs/dbraw/zinc/40/88/64/1376408864.db2.gz ATMADWCYQAGIAF-INIZCTEOSA-N 2 1 336.451 3.051 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(OC(F)F)nc2)CC1 ZINC001232954860 1376547120 /nfs/dbraw/zinc/54/71/20/1376547120.db2.gz QENZAYGUXWWIOO-UHFFFAOYSA-N 2 1 327.419 3.235 20 0 EGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(O)cc(Br)c1 ZINC001233000625 1376553756 /nfs/dbraw/zinc/55/37/56/1376553756.db2.gz MBTHWGRXKUEORB-UHFFFAOYSA-N 2 1 329.282 3.318 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(O)cc(Br)c1 ZINC001233000625 1376553758 /nfs/dbraw/zinc/55/37/58/1376553758.db2.gz MBTHWGRXKUEORB-UHFFFAOYSA-N 2 1 329.282 3.318 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH2+][C@@H](C)c1ccccc1Cl ZINC001134564254 1376597311 /nfs/dbraw/zinc/59/73/11/1376597311.db2.gz XYJUGLYZARSJOX-AWEZNQCLSA-N 2 1 348.878 3.127 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001134765977 1376710309 /nfs/dbraw/zinc/71/03/09/1376710309.db2.gz BRHCHTAGHYDLAZ-AZUAARDMSA-N 2 1 345.531 3.333 20 0 EGADMP Clc1ccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)o2)cc1 ZINC001235036933 1376836054 /nfs/dbraw/zinc/83/60/54/1376836054.db2.gz PSKWWUIVPIXYDH-DNVCBOLYSA-N 2 1 346.858 3.410 20 0 EGADMP c1ccc([C@H]2C[NH2+]C[C@]23CCC[N@H+]3Cc2ccc3c(c2)NCC3)cc1 ZINC001235254936 1376864777 /nfs/dbraw/zinc/86/47/77/1376864777.db2.gz RZMRBADYZZEYLI-IFMALSPDSA-N 2 1 333.479 3.376 20 0 EGADMP c1ccc([C@H]2C[NH2+]C[C@]23CCC[N@@H+]3Cc2ccc3c(c2)NCC3)cc1 ZINC001235254936 1376864779 /nfs/dbraw/zinc/86/47/79/1376864779.db2.gz RZMRBADYZZEYLI-IFMALSPDSA-N 2 1 333.479 3.376 20 0 EGADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C[C@H]2CCCC[NH2+]2)C3)c1 ZINC001235630248 1376878550 /nfs/dbraw/zinc/87/85/50/1376878550.db2.gz WWSIOPFALIQEEP-WOJBJXKFSA-N 2 1 331.479 3.008 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135076353 1376881765 /nfs/dbraw/zinc/88/17/65/1376881765.db2.gz AOMAGLZSOPMAKJ-IRXDYDNUSA-N 2 1 337.552 3.314 20 0 EGADMP CC[N@H+](Cc1cc(Br)c(C)cc1OC)C1CC[NH2+]CC1 ZINC001235765282 1376891225 /nfs/dbraw/zinc/89/12/25/1376891225.db2.gz XQLUYUKNLYTJPR-UHFFFAOYSA-N 2 1 341.293 3.340 20 0 EGADMP CC[N@@H+](Cc1cc(Br)c(C)cc1OC)C1CC[NH2+]CC1 ZINC001235765282 1376891231 /nfs/dbraw/zinc/89/12/31/1376891231.db2.gz XQLUYUKNLYTJPR-UHFFFAOYSA-N 2 1 341.293 3.340 20 0 EGADMP COc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1OC1CCCC1 ZINC001235942864 1376920569 /nfs/dbraw/zinc/92/05/69/1376920569.db2.gz YJLVJWRIXSIQPW-SJORKVTESA-N 2 1 330.472 3.058 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1OC1CCCC1 ZINC001235942864 1376920587 /nfs/dbraw/zinc/92/05/87/1376920587.db2.gz YJLVJWRIXSIQPW-SJORKVTESA-N 2 1 330.472 3.058 20 0 EGADMP Cc1ccc(-c2cccc(C[N@H+]3CCC[C@@H](N4CC([NH3+])C4)C3)c2)cc1 ZINC001236077054 1376932743 /nfs/dbraw/zinc/93/27/43/1376932743.db2.gz FKPKZVVWXZRNGY-JOCHJYFZSA-N 2 1 335.495 3.269 20 0 EGADMP Cc1ccc(Cl)c(C[NH+]2CCC(N3CC[NH2+]CC3)CC2)c1Cl ZINC001236128994 1376935197 /nfs/dbraw/zinc/93/51/97/1376935197.db2.gz UAYDRPPBSRAXSE-UHFFFAOYSA-N 2 1 342.314 3.171 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@@H+](C)CCCC[NH3+] ZINC001236140990 1376936344 /nfs/dbraw/zinc/93/63/44/1376936344.db2.gz CEEKZJNZYXKSMB-UHFFFAOYSA-N 2 1 337.851 3.169 20 0 EGADMP COc1ccccc1C[N@@H+](Cc1c(C)n[nH]c1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236702202 1376961436 /nfs/dbraw/zinc/96/14/36/1376961436.db2.gz ZUPYLEYYELWANY-IYARVYRRSA-N 2 1 342.487 3.307 20 0 EGADMP Fc1ccc(-c2cccc(C[N@H+]3CC[C@]4(C3)CNCCO4)c2)c(F)c1 ZINC001237140913 1376976585 /nfs/dbraw/zinc/97/65/85/1376976585.db2.gz CJLWOXVXMWUHRQ-HXUWFJFHSA-N 2 1 344.405 3.196 20 0 EGADMP Fc1ccc(-c2cccc(CN3CC[C@]4(C3)C[NH2+]CCO4)c2)c(F)c1 ZINC001237140913 1376976590 /nfs/dbraw/zinc/97/65/90/1376976590.db2.gz CJLWOXVXMWUHRQ-HXUWFJFHSA-N 2 1 344.405 3.196 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@H+](C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001246545976 1377052021 /nfs/dbraw/zinc/05/20/21/1377052021.db2.gz DPJSJPIPTMQPFG-QLOJAFMTSA-N 2 1 348.462 3.308 20 0 EGADMP CC(C)C[C@H]([NH3+])c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001247622472 1377062331 /nfs/dbraw/zinc/06/23/31/1377062331.db2.gz CVHKDYHKQMZCRV-USYSOWRXSA-N 2 1 327.432 3.244 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cccc(Cl)c1 ZINC001135437238 1377097229 /nfs/dbraw/zinc/09/72/29/1377097229.db2.gz RBLFBTTZTXRKAQ-UHFFFAOYSA-N 2 1 339.911 3.058 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2ccc(OCc3ccccn3)cc2)CC1 ZINC001254508451 1377105656 /nfs/dbraw/zinc/10/56/56/1377105656.db2.gz JCIZACRNUTYHJB-LJQANCHMSA-N 2 1 339.483 3.277 20 0 EGADMP C[N@@H+]([C@H]1CCC[NH+](C)CC1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001254529469 1377107320 /nfs/dbraw/zinc/10/73/20/1377107320.db2.gz GHHLFVCTPUKAKH-LPHOPBHVSA-N 2 1 339.524 3.192 20 0 EGADMP C[NH+]([C@H]1CCC[N@H+](C)CC1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001254529469 1377107324 /nfs/dbraw/zinc/10/73/24/1377107324.db2.gz GHHLFVCTPUKAKH-LPHOPBHVSA-N 2 1 339.524 3.192 20 0 EGADMP C[NH+]([C@H]1CCC[N@@H+](C)CC1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001254529469 1377107328 /nfs/dbraw/zinc/10/73/28/1377107328.db2.gz GHHLFVCTPUKAKH-LPHOPBHVSA-N 2 1 339.524 3.192 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CCCC1CCC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477184 1377110779 /nfs/dbraw/zinc/11/07/79/1377110779.db2.gz SBYDQLXQKYSEAF-IAGOWNOFSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)CC[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001256365830 1377111577 /nfs/dbraw/zinc/11/15/77/1377111577.db2.gz UAYWZQVWXZUNKX-ZRNYENFQSA-N 2 1 347.551 3.276 20 0 EGADMP CC(C)CC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001256365830 1377111579 /nfs/dbraw/zinc/11/15/79/1377111579.db2.gz UAYWZQVWXZUNKX-ZRNYENFQSA-N 2 1 347.551 3.276 20 0 EGADMP CC(C)CC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001256365830 1377111582 /nfs/dbraw/zinc/11/15/82/1377111582.db2.gz UAYWZQVWXZUNKX-ZRNYENFQSA-N 2 1 347.551 3.276 20 0 EGADMP CC[C@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001265447137 1377153161 /nfs/dbraw/zinc/15/31/61/1377153161.db2.gz YWDLCBRKILVJEX-OALUTQOASA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135584156 1377155056 /nfs/dbraw/zinc/15/50/56/1377155056.db2.gz LBBICZLUTLXOKW-DLBZAZTESA-N 2 1 336.524 3.316 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(C)(C)C ZINC001135583783 1377155128 /nfs/dbraw/zinc/15/51/28/1377155128.db2.gz FLKKTTBSWDHFPF-JKSUJKDBSA-N 2 1 336.524 3.316 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC1CCC1 ZINC001135583833 1377155146 /nfs/dbraw/zinc/15/51/46/1377155146.db2.gz FZOUPNKOJXCPCD-IAGOWNOFSA-N 2 1 348.535 3.460 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1 ZINC001135586201 1377155428 /nfs/dbraw/zinc/15/54/28/1377155428.db2.gz YQMUGJFWUJEUFD-IRXDYDNUSA-N 2 1 342.487 3.080 20 0 EGADMP C[N@@H+](CCCC1CCC1)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001266113097 1377190690 /nfs/dbraw/zinc/19/06/90/1377190690.db2.gz HOFDRTIGSDESPJ-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001135858240 1377236928 /nfs/dbraw/zinc/23/69/28/1377236928.db2.gz VOXVLOMNWZUPML-GJZGRUSLSA-N 2 1 339.911 3.055 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1sccc1Cl ZINC001135858100 1377237211 /nfs/dbraw/zinc/23/72/11/1377237211.db2.gz SKQRDRAOGCDZTD-OLZOCXBDSA-N 2 1 345.940 3.116 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NCC[N@H+](C)[C@H](C)c2ccccc2F)CC1 ZINC001266343807 1377283073 /nfs/dbraw/zinc/28/30/73/1377283073.db2.gz AIUPQSSPHJVHCX-MRXNPFEDSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@H](C)c2ccccc2F)CC1 ZINC001266343807 1377283079 /nfs/dbraw/zinc/28/30/79/1377283079.db2.gz AIUPQSSPHJVHCX-MRXNPFEDSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001135997122 1377292701 /nfs/dbraw/zinc/29/27/01/1377292701.db2.gz YRYSUHFAWNDIDN-ROUUACIJSA-N 2 1 337.552 3.482 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001266361365 1377296120 /nfs/dbraw/zinc/29/61/20/1377296120.db2.gz LVZUMRDYDHEDOO-ICSRJNTNSA-N 2 1 343.515 3.123 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001327309383 1388493921 /nfs/dbraw/zinc/49/39/21/1388493921.db2.gz VBHGRCDNTQQDIS-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001266819650 1377386110 /nfs/dbraw/zinc/38/61/10/1377386110.db2.gz COCUGHBLYUWHNJ-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP Cc1cc(N2CC[NH+](Cc3ccccc3OC(C)C)CC2)cc[nH+]1 ZINC001137140655 1377484735 /nfs/dbraw/zinc/48/47/35/1377484735.db2.gz KHAPWWQBPRAMBC-UHFFFAOYSA-N 2 1 325.456 3.499 20 0 EGADMP Cc1c(C(=O)N[C@@H](C)C[N@H+](C)C[C@@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001268736058 1377520035 /nfs/dbraw/zinc/52/00/35/1377520035.db2.gz QBIOXWUUAXDZQL-HOTGVXAUSA-N 2 1 344.503 3.375 20 0 EGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(OC(F)F)c(OC)c1 ZINC001138555444 1377741700 /nfs/dbraw/zinc/74/17/00/1377741700.db2.gz CWXIILVGLYYNDW-UHFFFAOYSA-N 2 1 330.419 3.460 20 0 EGADMP c1cc2cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cnc2[nH]1 ZINC001138741294 1377778064 /nfs/dbraw/zinc/77/80/64/1377778064.db2.gz USMQNSPALYQGPK-PMACEKPBSA-N 2 1 332.451 3.127 20 0 EGADMP CCCCc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)s1 ZINC001138755254 1377780456 /nfs/dbraw/zinc/78/04/56/1377780456.db2.gz MWRMIHUYZPTWBB-UHFFFAOYSA-N 2 1 335.561 3.304 20 0 EGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OC)c4cccc(OC)c34)C[C@H]2C1 ZINC001138753797 1377780627 /nfs/dbraw/zinc/78/06/27/1377780627.db2.gz AZWZRRILWOUTGC-IAGOWNOFSA-N 2 1 340.467 3.241 20 0 EGADMP Cc1c[nH]c(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)n1 ZINC001138936614 1377804854 /nfs/dbraw/zinc/80/48/54/1377804854.db2.gz MJABGSDGFLRMLH-KRWDZBQOSA-N 2 1 328.460 3.188 20 0 EGADMP Cc1n[nH]c(C)c1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001139098832 1377829553 /nfs/dbraw/zinc/82/95/53/1377829553.db2.gz OYQGOERPODYSIO-UHFFFAOYSA-N 2 1 328.460 3.108 20 0 EGADMP C[NH+]1CCN(c2ncc(C[NH+]3CCC4(CCCCC4)CC3)s2)CC1 ZINC001139318784 1377868183 /nfs/dbraw/zinc/86/81/83/1377868183.db2.gz HLGDNZZWWPANJZ-UHFFFAOYSA-N 2 1 348.560 3.441 20 0 EGADMP Cc1ccc(C[N@H+](C)Cc2cnc(N3CCN(C)CC3)s2)cc1C ZINC001139325745 1377868865 /nfs/dbraw/zinc/86/88/65/1377868865.db2.gz YLIQXGLDLAKZMM-UHFFFAOYSA-N 2 1 344.528 3.144 20 0 EGADMP Cc1ccc(CN(C)Cc2cnc(N3CCN(C)CC3)s2)cc1C ZINC001139325745 1377868867 /nfs/dbraw/zinc/86/88/67/1377868867.db2.gz YLIQXGLDLAKZMM-UHFFFAOYSA-N 2 1 344.528 3.144 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2ncc(C(F)(F)F)cc12 ZINC001139540081 1377900431 /nfs/dbraw/zinc/90/04/31/1377900431.db2.gz CJNJJVMAMLFCPL-UHFFFAOYSA-N 2 1 328.382 3.355 20 0 EGADMP CCOc1ccc(C[N@@H+](CCOC)C2CCN(C)CC2)cc1CC ZINC001139623364 1377920359 /nfs/dbraw/zinc/92/03/59/1377920359.db2.gz GJDAMAUVMKVCMZ-UHFFFAOYSA-N 2 1 334.504 3.190 20 0 EGADMP CCOc1ccc(CN(CCOC)C2CC[NH+](C)CC2)cc1CC ZINC001139623364 1377920363 /nfs/dbraw/zinc/92/03/63/1377920363.db2.gz GJDAMAUVMKVCMZ-UHFFFAOYSA-N 2 1 334.504 3.190 20 0 EGADMP Cn1ncc2ccc(C[N@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)cc21 ZINC001139907791 1377975308 /nfs/dbraw/zinc/97/53/08/1377975308.db2.gz NITWVZHXPNODIR-RBUKOAKNSA-N 2 1 326.488 3.412 20 0 EGADMP Cn1ncc2ccc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@@H+]3C)cc21 ZINC001139907791 1377975312 /nfs/dbraw/zinc/97/53/12/1377975312.db2.gz NITWVZHXPNODIR-RBUKOAKNSA-N 2 1 326.488 3.412 20 0 EGADMP Cn1ncc2ccc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@H+]3C)cc21 ZINC001139907791 1377975313 /nfs/dbraw/zinc/97/53/13/1377975313.db2.gz NITWVZHXPNODIR-RBUKOAKNSA-N 2 1 326.488 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH+](C)CCCC(C)(C)C ZINC001273591310 1378104317 /nfs/dbraw/zinc/10/43/17/1378104317.db2.gz NEFUCSHNHCJPRY-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CCC[N@H+](C)CCCC(C)(C)C ZINC001273591310 1378104322 /nfs/dbraw/zinc/10/43/22/1378104322.db2.gz NEFUCSHNHCJPRY-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)CCCC(C)(C)C ZINC001273591310 1378104323 /nfs/dbraw/zinc/10/43/23/1378104323.db2.gz NEFUCSHNHCJPRY-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CCOC(=O)c1ccc(C[N@@H+](C2CCCC2)C2CCN(C)CC2)[nH]1 ZINC001140694908 1378116032 /nfs/dbraw/zinc/11/60/32/1378116032.db2.gz IVYFCUDXBRGMGN-UHFFFAOYSA-N 2 1 333.476 3.030 20 0 EGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(Br)ccn1)CC2 ZINC001140767738 1378133343 /nfs/dbraw/zinc/13/33/43/1378133343.db2.gz YMYXIRMYZCGPBG-UHFFFAOYSA-N 2 1 338.293 3.152 20 0 EGADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001140801070 1378139792 /nfs/dbraw/zinc/13/97/92/1378139792.db2.gz GJYWKUVHRGEZNR-UHFFFAOYSA-N 2 1 344.459 3.394 20 0 EGADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001140801070 1378139793 /nfs/dbraw/zinc/13/97/93/1378139793.db2.gz GJYWKUVHRGEZNR-UHFFFAOYSA-N 2 1 344.459 3.394 20 0 EGADMP COc1cc(C[N@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc(OC)c1OC ZINC001140805690 1378143940 /nfs/dbraw/zinc/14/39/40/1378143940.db2.gz DLWHNDFKIHENPE-UHFFFAOYSA-N 2 1 341.411 3.221 20 0 EGADMP COc1cc(C[N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc(OC)c1OC ZINC001140805690 1378143945 /nfs/dbraw/zinc/14/39/45/1378143945.db2.gz DLWHNDFKIHENPE-UHFFFAOYSA-N 2 1 341.411 3.221 20 0 EGADMP COc1cccc(O[C@@H]2CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)n1 ZINC001140806048 1378144881 /nfs/dbraw/zinc/14/48/81/1378144881.db2.gz ABKRZFPVDDLOSU-OAHLLOKOSA-N 2 1 338.411 3.010 20 0 EGADMP COc1cccc(O[C@@H]2CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)n1 ZINC001140806048 1378144884 /nfs/dbraw/zinc/14/48/84/1378144884.db2.gz ABKRZFPVDDLOSU-OAHLLOKOSA-N 2 1 338.411 3.010 20 0 EGADMP FC(F)c1cccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001276617408 1378181554 /nfs/dbraw/zinc/18/15/54/1378181554.db2.gz IUOWKHNRXDDZOI-UHFFFAOYSA-N 2 1 346.425 3.445 20 0 EGADMP c1cc2c(cc1CN1CCC3(CCC[N@@H+]3CC3CC3)CC1)OCCO2 ZINC001141036790 1378215620 /nfs/dbraw/zinc/21/56/20/1378215620.db2.gz AVSAXTADZCKPRS-UHFFFAOYSA-N 2 1 342.483 3.298 20 0 EGADMP Cc1ncoc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001141056773 1378222993 /nfs/dbraw/zinc/22/29/93/1378222993.db2.gz DMWXHPUJTFRTCD-RBUKOAKNSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1ncoc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001141056773 1378222999 /nfs/dbraw/zinc/22/29/99/1378222999.db2.gz DMWXHPUJTFRTCD-RBUKOAKNSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1ncoc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001141056773 1378223001 /nfs/dbraw/zinc/22/30/01/1378223001.db2.gz DMWXHPUJTFRTCD-RBUKOAKNSA-N 2 1 325.456 3.327 20 0 EGADMP CCCC[C@H](CC)C[N@H+]1CCC2(C1)CC[NH+](CCNC(C)=O)CC2 ZINC001277905963 1378251520 /nfs/dbraw/zinc/25/15/20/1378251520.db2.gz PDIDCGSUQHWQOU-IBGZPJMESA-N 2 1 337.552 3.127 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC2CCCCCC2)C1 ZINC001278567606 1378283629 /nfs/dbraw/zinc/28/36/29/1378283629.db2.gz GWJKZNXHSRRBPK-FQEVSTJZSA-N 2 1 337.552 3.127 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001142192879 1378419878 /nfs/dbraw/zinc/41/98/78/1378419878.db2.gz YLDNCDJWQNZFIT-MSOLQXFVSA-N 2 1 330.472 3.025 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001142192879 1378419879 /nfs/dbraw/zinc/41/98/79/1378419879.db2.gz YLDNCDJWQNZFIT-MSOLQXFVSA-N 2 1 330.472 3.025 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001142192879 1378419881 /nfs/dbraw/zinc/41/98/81/1378419881.db2.gz YLDNCDJWQNZFIT-MSOLQXFVSA-N 2 1 330.472 3.025 20 0 EGADMP C[C@H](C(=O)N(CC[NH+](C)C)CC1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001142307042 1378432680 /nfs/dbraw/zinc/43/26/80/1378432680.db2.gz QSSAIKKBCIDAJS-FGTMMUONSA-N 2 1 337.552 3.218 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCCCC[N@H+]1CCCC1CCC1)[NH+](C)C ZINC001282663237 1378532352 /nfs/dbraw/zinc/53/23/52/1378532352.db2.gz APNWYLAZDFOIHB-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+]1CCC2(C[NH+](Cc3ccc(F)c(OC(F)(F)F)c3)C2)CC1 ZINC001143447652 1378598847 /nfs/dbraw/zinc/59/88/47/1378598847.db2.gz YUDNEHOXXPLRPQ-UHFFFAOYSA-N 2 1 332.341 3.252 20 0 EGADMP Cc1cc(F)cc(CN2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001143584842 1378620969 /nfs/dbraw/zinc/62/09/69/1378620969.db2.gz ABGORLKJDKCEBR-OALUTQOASA-N 2 1 325.431 3.093 20 0 EGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(Br)c(OC)c1 ZINC001144233147 1378703013 /nfs/dbraw/zinc/70/30/13/1378703013.db2.gz CUGJWFJHQICNCB-UHFFFAOYSA-N 2 1 329.282 3.231 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001146593039 1378872907 /nfs/dbraw/zinc/87/29/07/1378872907.db2.gz MSXKXGDMIGCHDW-DLBZAZTESA-N 2 1 325.541 3.170 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1sccc1Cl ZINC001146593882 1378872996 /nfs/dbraw/zinc/87/29/96/1378872996.db2.gz QYCGKIHMSTZRQS-OLZOCXBDSA-N 2 1 345.940 3.115 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1sccc1Cl ZINC001146593883 1378873707 /nfs/dbraw/zinc/87/37/07/1378873707.db2.gz QYCGKIHMSTZRQS-QWHCGFSZSA-N 2 1 345.940 3.115 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001146933294 1378945130 /nfs/dbraw/zinc/94/51/30/1378945130.db2.gz GXYLVCPXYKKTDH-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)n1ncc2c1[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC001327680567 1388577532 /nfs/dbraw/zinc/57/75/32/1388577532.db2.gz PHVROMBWYKEZGS-OALUTQOASA-N 2 1 346.519 3.074 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001147359996 1379009155 /nfs/dbraw/zinc/00/91/55/1379009155.db2.gz YXGOQTOEUDYBQI-HXUWFJFHSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001147541869 1379039375 /nfs/dbraw/zinc/03/93/75/1379039375.db2.gz ZVSZWUBARGNSRZ-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2 ZINC001147541869 1379039381 /nfs/dbraw/zinc/03/93/81/1379039381.db2.gz ZVSZWUBARGNSRZ-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCC(C)(C)C)C2 ZINC001147541869 1379039386 /nfs/dbraw/zinc/03/93/86/1379039386.db2.gz ZVSZWUBARGNSRZ-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC001283621423 1379060728 /nfs/dbraw/zinc/06/07/28/1379060728.db2.gz KPWCTPSBMVYINM-APWZRJJASA-N 2 1 331.504 3.059 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001147742908 1379070599 /nfs/dbraw/zinc/07/05/99/1379070599.db2.gz UCSWENZQJONLMJ-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2 ZINC001147742908 1379070602 /nfs/dbraw/zinc/07/06/02/1379070602.db2.gz UCSWENZQJONLMJ-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC2(C1)CC[N@@H+](CCCC(C)(C)C)C2 ZINC001147742908 1379070606 /nfs/dbraw/zinc/07/06/06/1379070606.db2.gz UCSWENZQJONLMJ-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCCC1CCC1)C2)[NH+](CC)CC ZINC001148284850 1379145439 /nfs/dbraw/zinc/14/54/39/1379145439.db2.gz HKTMBGTYXIONOO-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284961 1379146312 /nfs/dbraw/zinc/14/63/12/1379146312.db2.gz LBHCSPGZUDMNBB-GNISGLHKSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001148418042 1379168453 /nfs/dbraw/zinc/16/84/53/1379168453.db2.gz ABZNCWNHRWILFY-RTBURBONSA-N 2 1 347.547 3.118 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC001148418042 1379168456 /nfs/dbraw/zinc/16/84/56/1379168456.db2.gz ABZNCWNHRWILFY-RTBURBONSA-N 2 1 347.547 3.118 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001148418042 1379168459 /nfs/dbraw/zinc/16/84/59/1379168459.db2.gz ABZNCWNHRWILFY-RTBURBONSA-N 2 1 347.547 3.118 20 0 EGADMP C[C@@H]1[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001283904217 1379250597 /nfs/dbraw/zinc/25/05/97/1379250597.db2.gz DZHZAYNJQWJEDW-APWZRJJASA-N 2 1 335.536 3.020 20 0 EGADMP CN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001149387295 1379374434 /nfs/dbraw/zinc/37/44/34/1379374434.db2.gz SOAVSHKMCJWFEG-IBGZPJMESA-N 2 1 345.531 3.087 20 0 EGADMP CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001149387295 1379374441 /nfs/dbraw/zinc/37/44/41/1379374441.db2.gz SOAVSHKMCJWFEG-IBGZPJMESA-N 2 1 345.531 3.087 20 0 EGADMP CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001149387295 1379374444 /nfs/dbraw/zinc/37/44/44/1379374444.db2.gz SOAVSHKMCJWFEG-IBGZPJMESA-N 2 1 345.531 3.087 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001150568591 1379570655 /nfs/dbraw/zinc/57/06/55/1379570655.db2.gz URODNNVBUQRIRK-MKXGPGLRSA-N 2 1 343.515 3.153 20 0 EGADMP CC[N@@H+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392036 1379926188 /nfs/dbraw/zinc/92/61/88/1379926188.db2.gz JJFVFNTXZMLKBG-XLIONFOSSA-N 2 1 345.531 3.231 20 0 EGADMP CC[NH+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152392036 1379926189 /nfs/dbraw/zinc/92/61/89/1379926189.db2.gz JJFVFNTXZMLKBG-XLIONFOSSA-N 2 1 345.531 3.231 20 0 EGADMP CC[NH+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152392036 1379926190 /nfs/dbraw/zinc/92/61/90/1379926190.db2.gz JJFVFNTXZMLKBG-XLIONFOSSA-N 2 1 345.531 3.231 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CCC1CCCCCC1)c1ccccc1 ZINC001152530432 1379945614 /nfs/dbraw/zinc/94/56/14/1379945614.db2.gz WASBMESLNAGJFF-HXUWFJFHSA-N 2 1 345.531 3.356 20 0 EGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001153362219 1380064871 /nfs/dbraw/zinc/06/48/71/1380064871.db2.gz KXBDMGKTWBZQMF-RTBURBONSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153362219 1380064875 /nfs/dbraw/zinc/06/48/75/1380064875.db2.gz KXBDMGKTWBZQMF-RTBURBONSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153362219 1380064882 /nfs/dbraw/zinc/06/48/82/1380064882.db2.gz KXBDMGKTWBZQMF-RTBURBONSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1=CCCCC1 ZINC001153728230 1380119555 /nfs/dbraw/zinc/11/95/55/1380119555.db2.gz KMOLYPLEGLODNL-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC1=CCCCC1 ZINC001153728230 1380119556 /nfs/dbraw/zinc/11/95/56/1380119556.db2.gz KMOLYPLEGLODNL-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC1=CCCCC1 ZINC001153728230 1380119557 /nfs/dbraw/zinc/11/95/57/1380119557.db2.gz KMOLYPLEGLODNL-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001153818862 1380136209 /nfs/dbraw/zinc/13/62/09/1380136209.db2.gz DBQYYRMHRQXCGU-IEBWSBKVSA-N 2 1 335.536 3.186 20 0 EGADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001153818862 1380136210 /nfs/dbraw/zinc/13/62/10/1380136210.db2.gz DBQYYRMHRQXCGU-IEBWSBKVSA-N 2 1 335.536 3.186 20 0 EGADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001153818862 1380136211 /nfs/dbraw/zinc/13/62/11/1380136211.db2.gz DBQYYRMHRQXCGU-IEBWSBKVSA-N 2 1 335.536 3.186 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153819106 1380136292 /nfs/dbraw/zinc/13/62/92/1380136292.db2.gz NRCXHDDWFADKON-MSOLQXFVSA-N 2 1 325.541 3.266 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001153819106 1380136293 /nfs/dbraw/zinc/13/62/93/1380136293.db2.gz NRCXHDDWFADKON-MSOLQXFVSA-N 2 1 325.541 3.266 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001153819106 1380136295 /nfs/dbraw/zinc/13/62/95/1380136295.db2.gz NRCXHDDWFADKON-MSOLQXFVSA-N 2 1 325.541 3.266 20 0 EGADMP CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116293 1380211925 /nfs/dbraw/zinc/21/19/25/1380211925.db2.gz GMTHGGBPPRLNIT-OAHLLOKOSA-N 2 1 348.466 3.223 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154122750 1380212403 /nfs/dbraw/zinc/21/24/03/1380212403.db2.gz JKECQANNHWIJEI-FAPWYTRCSA-N 2 1 337.552 3.290 20 0 EGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001154122750 1380212408 /nfs/dbraw/zinc/21/24/08/1380212408.db2.gz JKECQANNHWIJEI-FAPWYTRCSA-N 2 1 337.552 3.290 20 0 EGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001154122750 1380212411 /nfs/dbraw/zinc/21/24/11/1380212411.db2.gz JKECQANNHWIJEI-FAPWYTRCSA-N 2 1 337.552 3.290 20 0 EGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167666 1380219840 /nfs/dbraw/zinc/21/98/40/1380219840.db2.gz OLFAWQBZPWLYQF-GOSISDBHSA-N 2 1 347.547 3.332 20 0 EGADMP CC[C@H](F)C[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464522 1380283129 /nfs/dbraw/zinc/28/31/29/1380283129.db2.gz OANAHFDDYKHNBQ-SJORKVTESA-N 2 1 343.531 3.216 20 0 EGADMP CC[C@H](F)C[NH+](CC)[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001154464522 1380283131 /nfs/dbraw/zinc/28/31/31/1380283131.db2.gz OANAHFDDYKHNBQ-SJORKVTESA-N 2 1 343.531 3.216 20 0 EGADMP CC[C@H](F)C[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001154464522 1380283132 /nfs/dbraw/zinc/28/31/32/1380283132.db2.gz OANAHFDDYKHNBQ-SJORKVTESA-N 2 1 343.531 3.216 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154480652 1380285610 /nfs/dbraw/zinc/28/56/10/1380285610.db2.gz CQVCFZANYDFLNW-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](Cc1ccccc1Cl)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154903768 1380374511 /nfs/dbraw/zinc/37/45/11/1380374511.db2.gz CFAPWUYTOOKMBO-OAHLLOKOSA-N 2 1 339.911 3.008 20 0 EGADMP c1ccc2c(c1)CC[N@@H+]1CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]21 ZINC001155094949 1380407182 /nfs/dbraw/zinc/40/71/82/1380407182.db2.gz HIXOBUKRBFHLBS-NRFANRHFSA-N 2 1 348.494 3.097 20 0 EGADMP CC[N@@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255274 1380429426 /nfs/dbraw/zinc/42/94/26/1380429426.db2.gz PQGXRNDDZFEQQJ-QZTJIDSGSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001155255274 1380429427 /nfs/dbraw/zinc/42/94/27/1380429427.db2.gz PQGXRNDDZFEQQJ-QZTJIDSGSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001155255274 1380429428 /nfs/dbraw/zinc/42/94/28/1380429428.db2.gz PQGXRNDDZFEQQJ-QZTJIDSGSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263633 1380430230 /nfs/dbraw/zinc/43/02/30/1380430230.db2.gz UGDJHJQRCGBCPE-GOSISDBHSA-N 2 1 347.547 3.300 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001155263633 1380430231 /nfs/dbraw/zinc/43/02/31/1380430231.db2.gz UGDJHJQRCGBCPE-GOSISDBHSA-N 2 1 347.547 3.300 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001155263633 1380430232 /nfs/dbraw/zinc/43/02/32/1380430232.db2.gz UGDJHJQRCGBCPE-GOSISDBHSA-N 2 1 347.547 3.300 20 0 EGADMP Cc1c(Cl)ccc2ccc(N3CCC[C@H]([NH+]4CC(C[NH3+])C4)C3)nc12 ZINC001155375142 1380443330 /nfs/dbraw/zinc/44/33/30/1380443330.db2.gz AXNCYKRKIIOVEJ-INIZCTEOSA-N 2 1 344.890 3.056 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)C[C@H](C)n1ccnc1 ZINC001155520853 1380463621 /nfs/dbraw/zinc/46/36/21/1380463621.db2.gz DQZXKXYFXJGMFR-DLBZAZTESA-N 2 1 332.492 3.161 20 0 EGADMP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559228 1380468701 /nfs/dbraw/zinc/46/87/01/1380468701.db2.gz NHDDTHZPYKSTCD-MRXNPFEDSA-N 2 1 336.524 3.269 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559228 1380468702 /nfs/dbraw/zinc/46/87/02/1380468702.db2.gz NHDDTHZPYKSTCD-MRXNPFEDSA-N 2 1 336.524 3.269 20 0 EGADMP CC[N@H+](CC1CC(C)C1)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155606876 1380472999 /nfs/dbraw/zinc/47/29/99/1380472999.db2.gz DBFUQQFZHYOFLO-LXPRWKDFSA-N 2 1 348.535 3.269 20 0 EGADMP CC[N@@H+](CC1CC(C)C1)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155606876 1380473000 /nfs/dbraw/zinc/47/30/00/1380473000.db2.gz DBFUQQFZHYOFLO-LXPRWKDFSA-N 2 1 348.535 3.269 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)C/C=C/Cl ZINC001155877836 1380501767 /nfs/dbraw/zinc/50/17/67/1380501767.db2.gz LHPUWOJEXAVTKI-SIFUEBAJSA-N 2 1 331.932 3.078 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)C/C=C/Cl ZINC001155877836 1380501768 /nfs/dbraw/zinc/50/17/68/1380501768.db2.gz LHPUWOJEXAVTKI-SIFUEBAJSA-N 2 1 331.932 3.078 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)C/C=C/Cl ZINC001155877836 1380501769 /nfs/dbraw/zinc/50/17/69/1380501769.db2.gz LHPUWOJEXAVTKI-SIFUEBAJSA-N 2 1 331.932 3.078 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C)sc1C ZINC001155924705 1380505751 /nfs/dbraw/zinc/50/57/51/1380505751.db2.gz MMENQTBOZWCXFP-CQSZACIVSA-N 2 1 339.549 3.033 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155994166 1380511731 /nfs/dbraw/zinc/51/17/31/1380511731.db2.gz ILJXQFNSIDXDBD-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155994188 1380511782 /nfs/dbraw/zinc/51/17/82/1380511782.db2.gz JTZJJQIWPGXEPU-RBUKOAKNSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](Cc1cc(C)sc1C)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156200802 1380541250 /nfs/dbraw/zinc/54/12/50/1380541250.db2.gz QKFZLQTYZJSAAL-CQSZACIVSA-N 2 1 339.549 3.033 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C)sc1C ZINC001156200802 1380541251 /nfs/dbraw/zinc/54/12/51/1380541251.db2.gz QKFZLQTYZJSAAL-CQSZACIVSA-N 2 1 339.549 3.033 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C)sc1C ZINC001156200802 1380541252 /nfs/dbraw/zinc/54/12/52/1380541252.db2.gz QKFZLQTYZJSAAL-CQSZACIVSA-N 2 1 339.549 3.033 20 0 EGADMP Cc1cc2[nH]ccc2c(NCc2ccc(C[NH+]3CCOCC3)cc2)[nH+]1 ZINC001156392118 1380570458 /nfs/dbraw/zinc/57/04/58/1380570458.db2.gz JQMAFCQEYCTCCR-UHFFFAOYSA-N 2 1 336.439 3.316 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)CC1CCCCC1 ZINC001156517354 1380587307 /nfs/dbraw/zinc/58/73/07/1380587307.db2.gz VVJLZFINJDCHPY-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CC1CCCCC1 ZINC001156517354 1380587309 /nfs/dbraw/zinc/58/73/09/1380587309.db2.gz VVJLZFINJDCHPY-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCCC1 ZINC001156517354 1380587313 /nfs/dbraw/zinc/58/73/13/1380587313.db2.gz VVJLZFINJDCHPY-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287092 1380833622 /nfs/dbraw/zinc/83/36/22/1380833622.db2.gz AUBPBEGOYKQZJM-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287092 1380833625 /nfs/dbraw/zinc/83/36/25/1380833625.db2.gz AUBPBEGOYKQZJM-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP CC[NH+](CC1CCCC1)[C@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001157287092 1380833630 /nfs/dbraw/zinc/83/36/30/1380833630.db2.gz AUBPBEGOYKQZJM-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP CC[NH+](CC1CCCC1)[C@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001157287092 1380833632 /nfs/dbraw/zinc/83/36/32/1380833632.db2.gz AUBPBEGOYKQZJM-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001158038608 1381109322 /nfs/dbraw/zinc/10/93/22/1381109322.db2.gz QAFKPHOVKVNEQU-RBUKOAKNSA-N 2 1 349.563 3.173 20 0 EGADMP CC/C=C\CC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158097777 1381126317 /nfs/dbraw/zinc/12/63/17/1381126317.db2.gz DYFCYIWXAXFGOR-JXCVUKRWSA-N 2 1 335.536 3.093 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C)[NH+](C)C ZINC001158118228 1381134061 /nfs/dbraw/zinc/13/40/61/1381134061.db2.gz VZNADNYMICGRAP-QZTJIDSGSA-N 2 1 339.568 3.466 20 0 EGADMP Cc1cccc2cc(Cl)nc(N3CCC([N@@H+]4CC[C@H]([NH3+])C4)CC3)c12 ZINC001158269873 1381179251 /nfs/dbraw/zinc/17/92/51/1381179251.db2.gz RZWLCYNXWYWGGT-HNNXBMFYSA-N 2 1 344.890 3.198 20 0 EGADMP Cc1cccc2cc(Cl)nc(N3CCC([N@H+]4CC[C@H]([NH3+])C4)CC3)c12 ZINC001158269873 1381179256 /nfs/dbraw/zinc/17/92/56/1381179256.db2.gz RZWLCYNXWYWGGT-HNNXBMFYSA-N 2 1 344.890 3.198 20 0 EGADMP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H]1C ZINC001158472965 1381256486 /nfs/dbraw/zinc/25/64/86/1381256486.db2.gz HTMJWXQOIIJCHF-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001158472965 1381256492 /nfs/dbraw/zinc/25/64/92/1381256492.db2.gz HTMJWXQOIIJCHF-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC001158472965 1381256499 /nfs/dbraw/zinc/25/64/99/1381256499.db2.gz HTMJWXQOIIJCHF-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CCC2CCCC2)C1 ZINC001158473966 1381257537 /nfs/dbraw/zinc/25/75/37/1381257537.db2.gz RQGNHRZSWXLNIE-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@H+](C)CCC2CCCC2)C1 ZINC001158473966 1381257545 /nfs/dbraw/zinc/25/75/45/1381257545.db2.gz RQGNHRZSWXLNIE-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CCC2CCCC2)C1 ZINC001158473966 1381257549 /nfs/dbraw/zinc/25/75/49/1381257549.db2.gz RQGNHRZSWXLNIE-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001158723991 1381367962 /nfs/dbraw/zinc/36/79/62/1381367962.db2.gz UEMFQMXDGGLEQU-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001158872528 1381443789 /nfs/dbraw/zinc/44/37/89/1381443789.db2.gz NXHWKROJEIWYAD-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001158923118 1381466130 /nfs/dbraw/zinc/46/61/30/1381466130.db2.gz OPMXZWIGGYWIAA-RTBURBONSA-N 2 1 339.568 3.322 20 0 EGADMP CC(C)C[C@@H](C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001158923118 1381466133 /nfs/dbraw/zinc/46/61/33/1381466133.db2.gz OPMXZWIGGYWIAA-RTBURBONSA-N 2 1 339.568 3.322 20 0 EGADMP CC(C)C[C@@H](C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001158923118 1381466138 /nfs/dbraw/zinc/46/61/38/1381466138.db2.gz OPMXZWIGGYWIAA-RTBURBONSA-N 2 1 339.568 3.322 20 0 EGADMP Cc1ccc(C[NH2+]CCCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)cc1C ZINC001159911055 1381934226 /nfs/dbraw/zinc/93/42/26/1381934226.db2.gz XDGQCNFEZIAHOG-HXUWFJFHSA-N 2 1 345.531 3.162 20 0 EGADMP CCc1ccccc1C[NH2+]CCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001159907573 1381934236 /nfs/dbraw/zinc/93/42/36/1381934236.db2.gz AFFQFNRFKDTMRC-FQEVSTJZSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001159908704 1381934721 /nfs/dbraw/zinc/93/47/21/1381934721.db2.gz IWLJHJDAQQTECQ-ZWKOTPCHSA-N 2 1 325.541 3.027 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]ccn21)c1ccccc1 ZINC001159917549 1381936236 /nfs/dbraw/zinc/93/62/36/1381936236.db2.gz ZGKMORIOBBZKOD-MSOLQXFVSA-N 2 1 340.471 3.008 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCCNC(=O)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001160275009 1382058427 /nfs/dbraw/zinc/05/84/27/1382058427.db2.gz YPKGOYYDWFYLSY-FQEVSTJZSA-N 2 1 345.531 3.280 20 0 EGADMP Cc1c(C(=O)NCCC2=CC[N@@H+](CC(C)C)CC2)ccc2c[nH+]cn21 ZINC001160580397 1382147624 /nfs/dbraw/zinc/14/76/24/1382147624.db2.gz NTIVCRLIKJAFHO-UHFFFAOYSA-N 2 1 340.471 3.051 20 0 EGADMP C[C@H](C[NH3+])CN(Cc1ccccc1)c1nc(N2CCCCC2)cc[nH+]1 ZINC001160665068 1382165105 /nfs/dbraw/zinc/16/51/05/1382165105.db2.gz HRXHWNCWAVZAMW-QGZVFWFLSA-N 2 1 339.487 3.068 20 0 EGADMP COc1ccc2cc[nH+]c(N[C@H]3CC[NH2+]C[C@@H]3C(F)(F)F)c2c1 ZINC001160738140 1382182241 /nfs/dbraw/zinc/18/22/41/1382182241.db2.gz JMMCFEARCZTRKL-KBPBESRZSA-N 2 1 325.334 3.196 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160787107 1382196116 /nfs/dbraw/zinc/19/61/16/1382196116.db2.gz IDMABVHTYCZGCJ-HXUWFJFHSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001161058544 1382285276 /nfs/dbraw/zinc/28/52/76/1382285276.db2.gz XRURLCDZMBDERV-KXBFYZLASA-N 2 1 349.494 3.012 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC1=CC[NH+](CCCC2CCC2)CC1 ZINC001161206345 1382340552 /nfs/dbraw/zinc/34/05/52/1382340552.db2.gz ITDALNGOQDITNG-SFHVURJKSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@H+](CCCC2CCC2)CC1 ZINC001161206345 1382340559 /nfs/dbraw/zinc/34/05/59/1382340559.db2.gz ITDALNGOQDITNG-SFHVURJKSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001161206345 1382340563 /nfs/dbraw/zinc/34/05/63/1382340563.db2.gz ITDALNGOQDITNG-SFHVURJKSA-N 2 1 347.547 3.189 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001161214287 1382344381 /nfs/dbraw/zinc/34/43/81/1382344381.db2.gz XSIOSQGHZPJKDV-HKUYNNGSSA-N 2 1 337.552 3.291 20 0 EGADMP Cc1nc(N2CCCC2)cc(NCC2CC[NH+](CC3CCC3)CC2)[nH+]1 ZINC001161229215 1382350023 /nfs/dbraw/zinc/35/00/23/1382350023.db2.gz OSQRLRIJAMCPSS-UHFFFAOYSA-N 2 1 343.519 3.309 20 0 EGADMP C[C@@H](C(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001161383217 1382391659 /nfs/dbraw/zinc/39/16/59/1382391659.db2.gz MMSJWOBIXCXIBE-SFHVURJKSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161390480 1382394854 /nfs/dbraw/zinc/39/48/54/1382394854.db2.gz GLRHZJFKBHYDBJ-IBGZPJMESA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161390480 1382394858 /nfs/dbraw/zinc/39/48/58/1382394858.db2.gz GLRHZJFKBHYDBJ-IBGZPJMESA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161390480 1382394860 /nfs/dbraw/zinc/39/48/60/1382394860.db2.gz GLRHZJFKBHYDBJ-IBGZPJMESA-N 2 1 335.536 3.044 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161554758 1382438725 /nfs/dbraw/zinc/43/87/25/1382438725.db2.gz RNFWQRYNHUGDFC-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161623048 1382463142 /nfs/dbraw/zinc/46/31/42/1382463142.db2.gz YWMPUOGWMVYMKM-UHFFFAOYSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001161643727 1382468208 /nfs/dbraw/zinc/46/82/08/1382468208.db2.gz AJTRCSXTDFWRMM-LPHOPBHVSA-N 2 1 349.494 3.103 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001161643726 1382468248 /nfs/dbraw/zinc/46/82/48/1382468248.db2.gz AJTRCSXTDFWRMM-APWZRJJASA-N 2 1 349.494 3.103 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161704754 1382485497 /nfs/dbraw/zinc/48/54/97/1382485497.db2.gz HUSGPJOPILHQAL-LJQANCHMSA-N 2 1 335.536 3.047 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001161704754 1382485501 /nfs/dbraw/zinc/48/55/01/1382485501.db2.gz HUSGPJOPILHQAL-LJQANCHMSA-N 2 1 335.536 3.047 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161704754 1382485503 /nfs/dbraw/zinc/48/55/03/1382485503.db2.gz HUSGPJOPILHQAL-LJQANCHMSA-N 2 1 335.536 3.047 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161705488 1382485611 /nfs/dbraw/zinc/48/56/11/1382485611.db2.gz UJNZRNLXFFQOSL-UXHICEINSA-N 2 1 349.563 3.435 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NCCC2=CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001161862622 1382534088 /nfs/dbraw/zinc/53/40/88/1382534088.db2.gz IXBNJNGJLYRGDB-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NCCC2=CC[N@H+](CC3CCCCCC3)CC2)C1 ZINC001161862622 1382534093 /nfs/dbraw/zinc/53/40/93/1382534093.db2.gz IXBNJNGJLYRGDB-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NCCC2=CC[N@@H+](CC3CCCCCC3)CC2)C1 ZINC001161862622 1382534097 /nfs/dbraw/zinc/53/40/97/1382534097.db2.gz IXBNJNGJLYRGDB-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161925075 1382556188 /nfs/dbraw/zinc/55/61/88/1382556188.db2.gz WBZYVKWWVQDSSA-KDURUIRLSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161925075 1382556194 /nfs/dbraw/zinc/55/61/94/1382556194.db2.gz WBZYVKWWVQDSSA-KDURUIRLSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161925075 1382556200 /nfs/dbraw/zinc/55/62/00/1382556200.db2.gz WBZYVKWWVQDSSA-KDURUIRLSA-N 2 1 349.563 3.434 20 0 EGADMP CC1CC(C[N@@H+]2CC=C(CCNC(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001161932945 1382558827 /nfs/dbraw/zinc/55/88/27/1382558827.db2.gz YSEGIMZIESCRNA-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC001161947028 1382565681 /nfs/dbraw/zinc/56/56/81/1382565681.db2.gz SMEBBOLLGQSFMM-UHFFFAOYSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC001161947028 1382565684 /nfs/dbraw/zinc/56/56/84/1382565684.db2.gz SMEBBOLLGQSFMM-UHFFFAOYSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001161946895 1382566053 /nfs/dbraw/zinc/56/60/53/1382566053.db2.gz KXDOAGDEWZNQNW-FPLPWBNLSA-N 2 1 335.536 3.211 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001161946895 1382566054 /nfs/dbraw/zinc/56/60/54/1382566054.db2.gz KXDOAGDEWZNQNW-FPLPWBNLSA-N 2 1 335.536 3.211 20 0 EGADMP CCc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)cc1 ZINC001328659035 1388800043 /nfs/dbraw/zinc/80/00/43/1388800043.db2.gz CCYZJGTXDNBYIZ-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP F[C@@H]1C[NH2+][C@H](CNc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)C1 ZINC001162481169 1382770030 /nfs/dbraw/zinc/77/00/30/1382770030.db2.gz KPRRKGHHBFFFGK-ICSRJNTNSA-N 2 1 325.431 3.314 20 0 EGADMP CC[C@@H](C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)C(C)C ZINC001163006707 1382945948 /nfs/dbraw/zinc/94/59/48/1382945948.db2.gz JNSFNTXLNXUTTF-LJQANCHMSA-N 2 1 347.547 3.034 20 0 EGADMP C[NH+](C)CC1CCC(Nc2cc(OC3CC[NH+](C)CC3)ccn2)CC1 ZINC001163303826 1383016640 /nfs/dbraw/zinc/01/66/40/1383016640.db2.gz QNQMZZASXWSLLV-UHFFFAOYSA-N 2 1 346.519 3.087 20 0 EGADMP COCC[N@@H+](C)[C@@H](CNc1cc(N)c(C)c[nH+]1)c1ccc(Cl)cc1 ZINC001163384611 1383037609 /nfs/dbraw/zinc/03/76/09/1383037609.db2.gz LDSRBDAIFHIJNU-KRWDZBQOSA-N 2 1 348.878 3.357 20 0 EGADMP C[NH+](C)C1(CNc2ccc(O[C@@H]3CCCCO3)cc2)CC[NH+](C)CC1 ZINC001164213541 1383166520 /nfs/dbraw/zinc/16/65/20/1383166520.db2.gz VRLOVEIFNJKZDQ-LJQANCHMSA-N 2 1 347.503 3.030 20 0 EGADMP Cc1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)ccc1OC(F)(F)F ZINC001164212847 1383166548 /nfs/dbraw/zinc/16/65/48/1383166548.db2.gz GSSLTHSQXKZVRK-UHFFFAOYSA-N 2 1 345.409 3.332 20 0 EGADMP COc1cc(C)c(NCC2([NH+](C)C)CC[NH+](C)CC2)cc1Cl ZINC001164212834 1383166575 /nfs/dbraw/zinc/16/65/75/1383166575.db2.gz GBCMJZPEVNSWQB-UHFFFAOYSA-N 2 1 325.884 3.095 20 0 EGADMP COc1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)cc(C(F)(F)F)c1 ZINC001164213601 1383166802 /nfs/dbraw/zinc/16/68/02/1383166802.db2.gz YELZDYMMGYSDSZ-UHFFFAOYSA-N 2 1 345.409 3.152 20 0 EGADMP C[C@@]1(C[NH3+])CCCN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC1 ZINC001164246973 1383171052 /nfs/dbraw/zinc/17/10/52/1383171052.db2.gz FJILFTWPOVZQTG-GOSISDBHSA-N 2 1 336.911 3.286 20 0 EGADMP c1cc2c[nH+]c(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2[nH]1 ZINC001164483521 1383191655 /nfs/dbraw/zinc/19/16/55/1383191655.db2.gz BYLFJGJYFGVAER-OKZBNKHCSA-N 2 1 333.439 3.232 20 0 EGADMP c1cc2c[nH+]c(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc2[nH]1 ZINC001164483521 1383191657 /nfs/dbraw/zinc/19/16/57/1383191657.db2.gz BYLFJGJYFGVAER-OKZBNKHCSA-N 2 1 333.439 3.232 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4cnc5c(c4)C[NH2+]CC5)[C@@H]3C2)cc1 ZINC001164491836 1383192857 /nfs/dbraw/zinc/19/28/57/1383192857.db2.gz HEXKLIQBMNTPDI-UCNVEGJOSA-N 2 1 348.494 3.050 20 0 EGADMP CC[NH+]1CCC(N(C)c2[nH+]cnc3c2ccn3C2CCCC2)CC1 ZINC001165068902 1383221486 /nfs/dbraw/zinc/22/14/86/1383221486.db2.gz YLVZKGZQVDIQOA-UHFFFAOYSA-N 2 1 327.476 3.467 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CCN(c2cc(C)nc(C(C)(C)C)n2)CC1 ZINC001165113940 1383230574 /nfs/dbraw/zinc/23/05/74/1383230574.db2.gz XFBYGXHTIUCGLF-KRWDZBQOSA-N 2 1 346.519 3.162 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2cc(C)nc(C(C)(C)C)n2)CC1 ZINC001165113941 1383230625 /nfs/dbraw/zinc/23/06/25/1383230625.db2.gz XFBYGXHTIUCGLF-QGZVFWFLSA-N 2 1 346.519 3.162 20 0 EGADMP FC(F)(F)[C@H]1N(c2ccc3c([nH+]2)CCCC3)CCC12CC[NH2+]CC2 ZINC001165266745 1383262585 /nfs/dbraw/zinc/26/25/85/1383262585.db2.gz UESULHQTIDYVMW-INIZCTEOSA-N 2 1 339.405 3.471 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001165333133 1383275423 /nfs/dbraw/zinc/27/54/23/1383275423.db2.gz MWCNHSNXROPBOY-QGZVFWFLSA-N 2 1 337.552 3.173 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001165809491 1383348835 /nfs/dbraw/zinc/34/88/35/1383348835.db2.gz HDPVAMDUDLANFY-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001165809833 1383349044 /nfs/dbraw/zinc/34/90/44/1383349044.db2.gz PWBWQDKJACGYOP-KURKYZTESA-N 2 1 349.563 3.029 20 0 EGADMP CCC/C=C/CC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001167224929 1383570320 /nfs/dbraw/zinc/57/03/20/1383570320.db2.gz OAYRLZVZOQPWPE-DUMMIQTOSA-N 2 1 335.536 3.093 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001167426645 1383631148 /nfs/dbraw/zinc/63/11/48/1383631148.db2.gz WQTVISYWNVZGLB-MRXNPFEDSA-N 2 1 346.519 3.045 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001167472261 1383644010 /nfs/dbraw/zinc/64/40/10/1383644010.db2.gz WSJPDDYYUPLUJS-UHFFFAOYSA-N 2 1 334.508 3.073 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001167591592 1383682987 /nfs/dbraw/zinc/68/29/87/1383682987.db2.gz JAVLJXQEJRFBNY-QGZVFWFLSA-N 2 1 336.524 3.175 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001167592398 1383683711 /nfs/dbraw/zinc/68/37/11/1383683711.db2.gz VTUFEBOEBZCZSG-UHFFFAOYSA-N 2 1 336.524 3.319 20 0 EGADMP Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1C ZINC001167626749 1383692657 /nfs/dbraw/zinc/69/26/57/1383692657.db2.gz GUKZFDWLPZUDPV-HXUWFJFHSA-N 2 1 345.531 3.162 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001167636625 1383695219 /nfs/dbraw/zinc/69/52/19/1383695219.db2.gz WFXXBCKGUJUHDI-WOJBJXKFSA-N 2 1 345.531 3.497 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CCC2CC2)CC1 ZINC001167694255 1383712606 /nfs/dbraw/zinc/71/26/06/1383712606.db2.gz HVXOCISBLSIVNH-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(-n2nc(C[NH3+])c3ccccc32)nc1 ZINC001167697232 1383713972 /nfs/dbraw/zinc/71/39/72/1383713972.db2.gz QHOBAOSFQIABSQ-HNNXBMFYSA-N 2 1 335.455 3.254 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001167812863 1383746301 /nfs/dbraw/zinc/74/63/01/1383746301.db2.gz ZVWBRXRAFXQYIK-GOSISDBHSA-N 2 1 339.568 3.277 20 0 EGADMP CCC/C=C\CC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001167812625 1383746341 /nfs/dbraw/zinc/74/63/41/1383746341.db2.gz RDKRUJUGQFGGBQ-FPLPWBNLSA-N 2 1 337.552 3.341 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@]2(CCCN2C(=O)C(C)C)C1 ZINC001167827063 1383751029 /nfs/dbraw/zinc/75/10/29/1383751029.db2.gz RZNHCTMTTPCBBZ-QUCCMNQESA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ncccc2OC)C1 ZINC001167834170 1383753174 /nfs/dbraw/zinc/75/31/74/1383753174.db2.gz IMWIVAXDHLCTAI-QZTJIDSGSA-N 2 1 349.519 3.444 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](N2Cc3ccccc3C2=O)C1 ZINC001167833778 1383753249 /nfs/dbraw/zinc/75/32/49/1383753249.db2.gz FBLJEXKNGFGWKQ-HKUYNNGSSA-N 2 1 343.515 3.227 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](Oc2ccc(OC)cn2)C1 ZINC001167833905 1383753361 /nfs/dbraw/zinc/75/33/61/1383753361.db2.gz FQSSMMTZKUEVNY-HKUYNNGSSA-N 2 1 349.519 3.444 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001167835660 1383754410 /nfs/dbraw/zinc/75/44/10/1383754410.db2.gz KSTSUPJBSGNZTN-INIZCTEOSA-N 2 1 349.494 3.105 20 0 EGADMP C(OC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)C2)C1CC1 ZINC001167935723 1383772606 /nfs/dbraw/zinc/77/26/06/1383772606.db2.gz LJQBSRGSPQRUOU-MLBCHFTJSA-N 2 1 344.543 3.245 20 0 EGADMP C(OC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1C[C@H]3C[C@H]3C1)C2)C1CC1 ZINC001167935723 1383772609 /nfs/dbraw/zinc/77/26/09/1383772609.db2.gz LJQBSRGSPQRUOU-MLBCHFTJSA-N 2 1 344.543 3.245 20 0 EGADMP C(OC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1C[C@H]3C[C@H]3C1)C2)C1CC1 ZINC001167935723 1383772610 /nfs/dbraw/zinc/77/26/10/1383772610.db2.gz LJQBSRGSPQRUOU-MLBCHFTJSA-N 2 1 344.543 3.245 20 0 EGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(N1CC[NH+](C3CCCCC3)CC1)C2 ZINC001167983817 1383787321 /nfs/dbraw/zinc/78/73/21/1383787321.db2.gz INJMRQHCJOHUOU-WCRBZPEASA-N 2 1 331.548 3.342 20 0 EGADMP CCOC(=O)[C@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167994306 1383790743 /nfs/dbraw/zinc/79/07/43/1383790743.db2.gz BMNNQRBIDOFNJM-HTUJPFKRSA-N 2 1 334.504 3.057 20 0 EGADMP CCOC(=O)[C@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167994306 1383790747 /nfs/dbraw/zinc/79/07/47/1383790747.db2.gz BMNNQRBIDOFNJM-HTUJPFKRSA-N 2 1 334.504 3.057 20 0 EGADMP CCOC(=O)[C@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167994306 1383790750 /nfs/dbraw/zinc/79/07/50/1383790750.db2.gz BMNNQRBIDOFNJM-HTUJPFKRSA-N 2 1 334.504 3.057 20 0 EGADMP CCOC(=O)C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]1C ZINC001168002737 1383792861 /nfs/dbraw/zinc/79/28/61/1383792861.db2.gz WLWADVNIKZOIET-SKPIHXQZSA-N 2 1 348.531 3.303 20 0 EGADMP CCOC(=O)C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@H]1C ZINC001168002737 1383792864 /nfs/dbraw/zinc/79/28/64/1383792864.db2.gz WLWADVNIKZOIET-SKPIHXQZSA-N 2 1 348.531 3.303 20 0 EGADMP CCOC(=O)C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H]1C ZINC001168002737 1383792866 /nfs/dbraw/zinc/79/28/66/1383792866.db2.gz WLWADVNIKZOIET-SKPIHXQZSA-N 2 1 348.531 3.303 20 0 EGADMP CCOC(=O)C[C@@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168013704 1383797060 /nfs/dbraw/zinc/79/70/60/1383797060.db2.gz INHRTOFXXJPIDI-VXIBKDFQSA-N 2 1 332.488 3.359 20 0 EGADMP C[C@H]1CC([N@@H+](C)CCC2OCCO2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065878 1383808820 /nfs/dbraw/zinc/80/88/20/1383808820.db2.gz YSJWLVOCZDLHGW-IRXDYDNUSA-N 2 1 332.488 3.123 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001168229962 1383849923 /nfs/dbraw/zinc/84/99/23/1383849923.db2.gz DVWPMLSGSLWSAZ-GHTZIAJQSA-N 2 1 336.479 3.274 20 0 EGADMP CC(C)[C@](O)(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC001168265981 1383857197 /nfs/dbraw/zinc/85/71/97/1383857197.db2.gz ZEQDOVCRPHNVHE-STZQEDGTSA-N 2 1 342.527 3.479 20 0 EGADMP CC(C)[C@](O)(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC001168265981 1383857201 /nfs/dbraw/zinc/85/72/01/1383857201.db2.gz ZEQDOVCRPHNVHE-STZQEDGTSA-N 2 1 342.527 3.479 20 0 EGADMP CC(C)[C@](O)(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC001168265981 1383857205 /nfs/dbraw/zinc/85/72/05/1383857205.db2.gz ZEQDOVCRPHNVHE-STZQEDGTSA-N 2 1 342.527 3.479 20 0 EGADMP COc1ccc2c(c1)C[C@H]([N@@H+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001168278008 1383860837 /nfs/dbraw/zinc/86/08/37/1383860837.db2.gz ASAYOONMKKIDGI-BHIFYINESA-N 2 1 348.490 3.226 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH+]1C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001168278008 1383860841 /nfs/dbraw/zinc/86/08/41/1383860841.db2.gz ASAYOONMKKIDGI-BHIFYINESA-N 2 1 348.490 3.226 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH+]1C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001168278008 1383860844 /nfs/dbraw/zinc/86/08/44/1383860844.db2.gz ASAYOONMKKIDGI-BHIFYINESA-N 2 1 348.490 3.226 20 0 EGADMP CCC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)OCc1ccccc1 ZINC001168305862 1383868417 /nfs/dbraw/zinc/86/84/17/1383868417.db2.gz OQTRRRPVGNSSIZ-CTWPCTMYSA-N 2 1 332.488 3.361 20 0 EGADMP C[NH+](C)C1CCC([N@@H+]2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)CC1 ZINC001168323793 1383873232 /nfs/dbraw/zinc/87/32/32/1383873232.db2.gz CPUFJYIDUDPKRR-HAMDTZRPSA-N 2 1 327.516 3.066 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001168335658 1383876092 /nfs/dbraw/zinc/87/60/92/1383876092.db2.gz OLFRZISAHPNMOX-SFHVURJKSA-N 2 1 337.552 3.317 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001168334125 1383876350 /nfs/dbraw/zinc/87/63/50/1383876350.db2.gz LMMLNYYYCYVZBU-GQGLESIBSA-N 2 1 333.907 3.476 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168346399 1383880029 /nfs/dbraw/zinc/88/00/29/1383880029.db2.gz YUOPKFDTMAHCCK-LJQANCHMSA-N 2 1 345.531 3.356 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)CCCn1cc[nH+]c1C)c1ccccc1 ZINC001168368788 1383885883 /nfs/dbraw/zinc/88/58/83/1383885883.db2.gz FHDYCNYPXSJDDU-LJQANCHMSA-N 2 1 342.487 3.219 20 0 EGADMP COC(=O)c1cccc([C@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)c1 ZINC001168395229 1383895224 /nfs/dbraw/zinc/89/52/24/1383895224.db2.gz RQOQXXHANZJDMB-HXUWFJFHSA-N 2 1 342.483 3.485 20 0 EGADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2C2CC[NH+](CC3CC3)CC2)c1 ZINC001168395229 1383895227 /nfs/dbraw/zinc/89/52/27/1383895227.db2.gz RQOQXXHANZJDMB-HXUWFJFHSA-N 2 1 342.483 3.485 20 0 EGADMP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001168463389 1383913155 /nfs/dbraw/zinc/91/31/55/1383913155.db2.gz RZTHNDSNUVVXMF-GOSISDBHSA-N 2 1 345.531 3.041 20 0 EGADMP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001168463389 1383913159 /nfs/dbraw/zinc/91/31/59/1383913159.db2.gz RZTHNDSNUVVXMF-GOSISDBHSA-N 2 1 345.531 3.041 20 0 EGADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H]1CCC[NH+](C)C1 ZINC001307487761 1383996945 /nfs/dbraw/zinc/99/69/45/1383996945.db2.gz CDYFCCPNPNFPQR-NRFANRHFSA-N 3 1 329.532 3.446 20 0 EGADMP C[NH+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H]1CCC[N@H+](C)C1 ZINC001307487761 1383996950 /nfs/dbraw/zinc/99/69/50/1383996950.db2.gz CDYFCCPNPNFPQR-NRFANRHFSA-N 3 1 329.532 3.446 20 0 EGADMP C[NH+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC001307487761 1383996955 /nfs/dbraw/zinc/99/69/55/1383996955.db2.gz CDYFCCPNPNFPQR-NRFANRHFSA-N 3 1 329.532 3.446 20 0 EGADMP CN(Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H]1CCC[N@H+](C)C1 ZINC001307487761 1383996958 /nfs/dbraw/zinc/99/69/58/1383996958.db2.gz CDYFCCPNPNFPQR-NRFANRHFSA-N 2 1 329.532 3.446 20 0 EGADMP CN(Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC001307487761 1383996962 /nfs/dbraw/zinc/99/69/62/1383996962.db2.gz CDYFCCPNPNFPQR-NRFANRHFSA-N 2 1 329.532 3.446 20 0 EGADMP CN1CCC[C@H](C[N@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001307487761 1383996966 /nfs/dbraw/zinc/99/69/66/1383996966.db2.gz CDYFCCPNPNFPQR-NRFANRHFSA-N 2 1 329.532 3.446 20 0 EGADMP CN1CCC[C@H](C[N@@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001307487761 1383996971 /nfs/dbraw/zinc/99/69/71/1383996971.db2.gz CDYFCCPNPNFPQR-NRFANRHFSA-N 2 1 329.532 3.446 20 0 EGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001168840589 1384029152 /nfs/dbraw/zinc/02/91/52/1384029152.db2.gz VFLAGCQVNMNIMS-TWMKSMIVSA-N 2 1 339.524 3.093 20 0 EGADMP COc1ccc2c(c1)c(C[C@H](C)[NH3+])cn2[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091739 1384105274 /nfs/dbraw/zinc/10/52/74/1384105274.db2.gz USUMMJDDLPIJPJ-QMCVQRASSA-N 2 1 327.472 3.337 20 0 EGADMP Cc1ccc(F)cc1CN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169109128 1384108396 /nfs/dbraw/zinc/10/83/96/1384108396.db2.gz HUEXHKFTWZDAHU-WKCHPHFGSA-N 2 1 345.506 3.313 20 0 EGADMP COc1ccccc1CC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCOCC1 ZINC001169109580 1384108645 /nfs/dbraw/zinc/10/86/45/1384108645.db2.gz DVPXJHUKQDUYGM-REPLKXPHSA-N 2 1 344.499 3.002 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc(Br)s1)C2 ZINC001169118336 1384109385 /nfs/dbraw/zinc/10/93/85/1384109385.db2.gz HPVJHTATRSYITP-ZSBIGDGJSA-N 2 1 329.307 3.268 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169126558 1384111057 /nfs/dbraw/zinc/11/10/57/1384111057.db2.gz WIWOLRADRQNVRL-NHAYFPRASA-N 2 1 349.519 3.087 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169126558 1384111059 /nfs/dbraw/zinc/11/10/59/1384111059.db2.gz WIWOLRADRQNVRL-NHAYFPRASA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169126558 1384111060 /nfs/dbraw/zinc/11/10/60/1384111060.db2.gz WIWOLRADRQNVRL-NHAYFPRASA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169126558 1384111062 /nfs/dbraw/zinc/11/10/62/1384111062.db2.gz WIWOLRADRQNVRL-NHAYFPRASA-N 2 1 349.519 3.087 20 0 EGADMP COc1cccc(O[C@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001169139305 1384112283 /nfs/dbraw/zinc/11/22/83/1384112283.db2.gz AZYSUIODSJNHIX-CLWJZODNSA-N 2 1 330.472 3.164 20 0 EGADMP COc1cccc(O[C@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001169139305 1384112284 /nfs/dbraw/zinc/11/22/84/1384112284.db2.gz AZYSUIODSJNHIX-CLWJZODNSA-N 2 1 330.472 3.164 20 0 EGADMP COc1cccc(O[C@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001169139305 1384112286 /nfs/dbraw/zinc/11/22/86/1384112286.db2.gz AZYSUIODSJNHIX-CLWJZODNSA-N 2 1 330.472 3.164 20 0 EGADMP COc1cccc(O[C@@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001169139307 1384112546 /nfs/dbraw/zinc/11/25/46/1384112546.db2.gz AZYSUIODSJNHIX-NHAYFPRASA-N 2 1 330.472 3.164 20 0 EGADMP COc1cccc(O[C@@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001169139307 1384112547 /nfs/dbraw/zinc/11/25/47/1384112547.db2.gz AZYSUIODSJNHIX-NHAYFPRASA-N 2 1 330.472 3.164 20 0 EGADMP COc1cccc(O[C@@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001169139307 1384112549 /nfs/dbraw/zinc/11/25/49/1384112549.db2.gz AZYSUIODSJNHIX-NHAYFPRASA-N 2 1 330.472 3.164 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC3(CC(OCc4ccccc4)C3)C1)C2 ZINC001169155353 1384116109 /nfs/dbraw/zinc/11/61/09/1384116109.db2.gz NOXRPTUQZMVUGY-REPLKXPHSA-N 2 1 326.484 3.293 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC3(CC(OCc4ccccc4)C3)C1)C2 ZINC001169155353 1384116111 /nfs/dbraw/zinc/11/61/11/1384116111.db2.gz NOXRPTUQZMVUGY-REPLKXPHSA-N 2 1 326.484 3.293 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@@H]3C[C@H]1CN3c1ccccc1Cl)C2 ZINC001169160399 1384117670 /nfs/dbraw/zinc/11/76/70/1384117670.db2.gz DMYXKBKRJRJQJK-QEOTZNIISA-N 2 1 331.891 3.228 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@@H]3C[C@H]1CN3c1ccccc1Cl)C2 ZINC001169160399 1384117674 /nfs/dbraw/zinc/11/76/74/1384117674.db2.gz DMYXKBKRJRJQJK-QEOTZNIISA-N 2 1 331.891 3.228 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@@H]3C[C@H]1CN3c1ccccc1Cl)C2 ZINC001169160399 1384117676 /nfs/dbraw/zinc/11/76/76/1384117676.db2.gz DMYXKBKRJRJQJK-QEOTZNIISA-N 2 1 331.891 3.228 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(OC(C)C)cc2)CC1 ZINC001308303818 1384117978 /nfs/dbraw/zinc/11/79/78/1384117978.db2.gz OSSVOUJJXSUJRZ-UHFFFAOYSA-N 2 1 334.504 3.453 20 0 EGADMP Clc1cncc(Cl)c1CNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001169185205 1384120251 /nfs/dbraw/zinc/12/02/51/1384120251.db2.gz DEUGMGATFGREJT-UHFFFAOYSA-N 2 1 348.237 3.335 20 0 EGADMP CC[NH+]1CCC([NH2+]C2CCN(Cc3c(F)cccc3F)CC2)CC1 ZINC001169238569 1384125904 /nfs/dbraw/zinc/12/59/04/1384125904.db2.gz IYKSXGMHPNKNNB-UHFFFAOYSA-N 2 1 337.458 3.003 20 0 EGADMP CC[NH+]1CCC([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CC1 ZINC001169239020 1384125920 /nfs/dbraw/zinc/12/59/20/1384125920.db2.gz PRSZDVDBOJTSAP-UHFFFAOYSA-N 2 1 337.458 3.003 20 0 EGADMP CC[NH+]1CCC(N2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169262376 1384129106 /nfs/dbraw/zinc/12/91/06/1384129106.db2.gz ZUUNDVPVLWMHKJ-QFIPXVFZSA-N 2 1 341.543 3.459 20 0 EGADMP CC[NH+]1CCC(N2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169268122 1384130414 /nfs/dbraw/zinc/13/04/14/1384130414.db2.gz GXORQVDUSYFIMC-LEWJYISDSA-N 2 1 341.543 3.315 20 0 EGADMP CCN1CCC([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169268122 1384130416 /nfs/dbraw/zinc/13/04/16/1384130416.db2.gz GXORQVDUSYFIMC-LEWJYISDSA-N 2 1 341.543 3.315 20 0 EGADMP CCN1CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169268122 1384130418 /nfs/dbraw/zinc/13/04/18/1384130418.db2.gz GXORQVDUSYFIMC-LEWJYISDSA-N 2 1 341.543 3.315 20 0 EGADMP CCN1CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169268122 1384130420 /nfs/dbraw/zinc/13/04/20/1384130420.db2.gz GXORQVDUSYFIMC-LEWJYISDSA-N 2 1 341.543 3.315 20 0 EGADMP CCN1CCC([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169268122 1384130422 /nfs/dbraw/zinc/13/04/22/1384130422.db2.gz GXORQVDUSYFIMC-LEWJYISDSA-N 2 1 341.543 3.315 20 0 EGADMP CC(=O)N1CCC[C@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169595884 1384163377 /nfs/dbraw/zinc/16/33/77/1384163377.db2.gz IRNQNFJJXPQBDK-UFYCRDLUSA-N 2 1 335.536 3.150 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169729714 1384179864 /nfs/dbraw/zinc/17/98/64/1384179864.db2.gz UYRFALPFLFMYTN-UYAOXDASSA-N 2 1 343.515 3.145 20 0 EGADMP Brc1ccc2[nH+]ccc(NCC34CC[NH+](CC3)CC4)c2c1 ZINC001169797091 1384187118 /nfs/dbraw/zinc/18/71/18/1384187118.db2.gz XRXVVZUVUMQGAP-UHFFFAOYSA-N 2 1 346.272 3.317 20 0 EGADMP CC[C@@H]1CC([N@@H+](C)C[C@@H](C)C[NH3+])C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170476651 1384326887 /nfs/dbraw/zinc/32/68/87/1384326887.db2.gz ZGJPAVJPMWEPBQ-ARFHVFGLSA-N 2 1 341.540 3.470 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001170863215 1384400712 /nfs/dbraw/zinc/40/07/12/1384400712.db2.gz TZVDXXNLAGFMOK-NLWGTHIKSA-N 2 1 345.531 3.100 20 0 EGADMP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170862903 1384400779 /nfs/dbraw/zinc/40/07/79/1384400779.db2.gz PYXMOLVBFXDEGX-RCCFBDPRSA-N 2 1 325.541 3.172 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861338 1384400794 /nfs/dbraw/zinc/40/07/94/1384400794.db2.gz CQJVBUQMOMIMRJ-GVDBMIGSSA-N 2 1 325.541 3.027 20 0 EGADMP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170863609 1384400804 /nfs/dbraw/zinc/40/08/04/1384400804.db2.gz WHQNXNPKFBWOMO-WMYYGJRPSA-N 2 1 337.552 3.338 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH2+]CCC(C)(C)C)c1ccccc1 ZINC001170867529 1384401635 /nfs/dbraw/zinc/40/16/35/1384401635.db2.gz JRCRYKKOQHCICT-GOSISDBHSA-N 2 1 333.520 3.212 20 0 EGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170872627 1384402265 /nfs/dbraw/zinc/40/22/65/1384402265.db2.gz YHNVPLJMSKWWDG-OKZBNKHCSA-N 2 1 325.541 3.172 20 0 EGADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]2C1 ZINC001171085344 1384443152 /nfs/dbraw/zinc/44/31/52/1384443152.db2.gz HCQPSRXVZAJLQQ-GUTXKFCHSA-N 2 1 325.283 3.344 20 0 EGADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]2C1 ZINC001171085344 1384443153 /nfs/dbraw/zinc/44/31/53/1384443153.db2.gz HCQPSRXVZAJLQQ-GUTXKFCHSA-N 2 1 325.283 3.344 20 0 EGADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]2C1 ZINC001171085344 1384443155 /nfs/dbraw/zinc/44/31/55/1384443155.db2.gz HCQPSRXVZAJLQQ-GUTXKFCHSA-N 2 1 325.283 3.344 20 0 EGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001171118069 1384449196 /nfs/dbraw/zinc/44/91/96/1384449196.db2.gz CFOCQEHSKCVMNO-ZWKOTPCHSA-N 2 1 325.541 3.316 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCC2CC2)C1 ZINC001171238602 1384476955 /nfs/dbraw/zinc/47/69/55/1384476955.db2.gz WJNRUSZMAWYVGY-MJGOQNOKSA-N 2 1 337.552 3.029 20 0 EGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171245691 1384477031 /nfs/dbraw/zinc/47/70/31/1384477031.db2.gz AZJLKYXRAYZDEU-DLBZAZTESA-N 2 1 334.508 3.215 20 0 EGADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171248412 1384478389 /nfs/dbraw/zinc/47/83/89/1384478389.db2.gz UOZSGXNTJRKUDT-IEBWSBKVSA-N 2 1 337.552 3.314 20 0 EGADMP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171261170 1384481354 /nfs/dbraw/zinc/48/13/54/1384481354.db2.gz QWHJBXHYBZJICT-SFHVURJKSA-N 2 1 345.531 3.244 20 0 EGADMP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171261169 1384481642 /nfs/dbraw/zinc/48/16/42/1384481642.db2.gz QWHJBXHYBZJICT-GOSISDBHSA-N 2 1 345.531 3.244 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001316636620 1384497791 /nfs/dbraw/zinc/49/77/91/1384497791.db2.gz PIWPTPRRPFXOQK-BHIYHBOVSA-N 2 1 349.563 3.029 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171414816 1384517009 /nfs/dbraw/zinc/51/70/09/1384517009.db2.gz WKGBDBGDNAGLLK-LNLFQRSKSA-N 2 1 346.490 3.434 20 0 EGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171593653 1384573835 /nfs/dbraw/zinc/57/38/35/1384573835.db2.gz QARSPOIADKIDMC-BZUAXINKSA-N 2 1 341.540 3.327 20 0 EGADMP Cn1cc(-c2cc(C[NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)ccn2)cn1 ZINC001171623609 1384583070 /nfs/dbraw/zinc/58/30/70/1384583070.db2.gz DIDXBTKROXBJHF-UHFFFAOYSA-N 2 1 341.503 3.223 20 0 EGADMP Cc1cccnc1N1CC[NH+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171628901 1384585192 /nfs/dbraw/zinc/58/51/92/1384585192.db2.gz LYCGUGANCJPHFZ-UHFFFAOYSA-N 2 1 330.520 3.163 20 0 EGADMP CCN(CC)C(=O)[C@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171628880 1384585286 /nfs/dbraw/zinc/58/52/86/1384585286.db2.gz LEGUIANJDMHJJK-INIZCTEOSA-N 2 1 337.552 3.218 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CCCC[C@](O)(C(F)(F)F)C2)CC1(C)C ZINC001171631503 1384586170 /nfs/dbraw/zinc/58/61/70/1384586170.db2.gz JXJASNAJMKJJHI-MRXNPFEDSA-N 2 1 336.442 3.417 20 0 EGADMP COC[C@]12CCCO[C@H]1CC[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171637717 1384588392 /nfs/dbraw/zinc/58/83/92/1384588392.db2.gz NDWHWCDFTKNRQQ-FXAWDEMLSA-N 2 1 338.536 3.155 20 0 EGADMP Cc1cccc(O[C@@H]2CC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)n1 ZINC001171640813 1384590012 /nfs/dbraw/zinc/59/00/12/1384590012.db2.gz JNDHEOOPKYNEIH-QGZVFWFLSA-N 2 1 331.504 3.495 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001171725022 1384614853 /nfs/dbraw/zinc/61/48/53/1384614853.db2.gz DJNMSSZWSWIBHT-UHFFFAOYSA-N 2 1 333.520 3.138 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)c1ccccc1Cl ZINC001171731767 1384617385 /nfs/dbraw/zinc/61/73/85/1384617385.db2.gz OXDUGEVEEVVJFH-HNNXBMFYSA-N 2 1 339.911 3.229 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H](C)c1ccccc1Cl ZINC001171731768 1384617537 /nfs/dbraw/zinc/61/75/37/1384617537.db2.gz OXDUGEVEEVVJFH-OAHLLOKOSA-N 2 1 339.911 3.229 20 0 EGADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171778871 1384633217 /nfs/dbraw/zinc/63/32/17/1384633217.db2.gz XFMMIUMXKOZSGT-QGZVFWFLSA-N 2 1 325.431 3.255 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001316900123 1384679203 /nfs/dbraw/zinc/67/92/03/1384679203.db2.gz UHWGFILNOCVHCN-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001316900123 1384679204 /nfs/dbraw/zinc/67/92/04/1384679204.db2.gz UHWGFILNOCVHCN-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001316900123 1384679205 /nfs/dbraw/zinc/67/92/05/1384679205.db2.gz UHWGFILNOCVHCN-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP CC1(C)C[C@H]([NH2+]CCCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC001171966244 1384697718 /nfs/dbraw/zinc/69/77/18/1384697718.db2.gz UIMWCYDZCMRMHD-LJQANCHMSA-N 3 1 326.488 3.306 20 0 EGADMP CC1(C)C[C@H]([NH2+]CCCn2ccnc2)CCN1Cc1ccccc1 ZINC001171966244 1384697721 /nfs/dbraw/zinc/69/77/21/1384697721.db2.gz UIMWCYDZCMRMHD-LJQANCHMSA-N 3 1 326.488 3.306 20 0 EGADMP C[NH+](C)C1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171976266 1384700177 /nfs/dbraw/zinc/70/01/77/1384700177.db2.gz JQSXSUGIEYYFMJ-HXUWFJFHSA-N 2 1 329.532 3.456 20 0 EGADMP CC1(C)C[C@H](N2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977491 1384701849 /nfs/dbraw/zinc/70/18/49/1384701849.db2.gz RPXWFMHEZLHNPU-HXUWFJFHSA-N 2 1 327.516 3.210 20 0 EGADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988267 1384706311 /nfs/dbraw/zinc/70/63/11/1384706311.db2.gz QOAXPLFTLGXFMO-AQNXPRMDSA-N 2 1 327.516 3.208 20 0 EGADMP C[NH+]1C[C@H]2CC[C@@H](C1)N2[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988267 1384706315 /nfs/dbraw/zinc/70/63/15/1384706315.db2.gz QOAXPLFTLGXFMO-AQNXPRMDSA-N 2 1 327.516 3.208 20 0 EGADMP C[NH+]1C[C@H]2CC[C@@H](C1)N2[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988267 1384706319 /nfs/dbraw/zinc/70/63/19/1384706319.db2.gz QOAXPLFTLGXFMO-AQNXPRMDSA-N 2 1 327.516 3.208 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)[C@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172005880 1384709350 /nfs/dbraw/zinc/70/93/50/1384709350.db2.gz RWAIORISQANAPC-IHPCNDPISA-N 2 1 347.547 3.292 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](NCC[NH+]2CCCC2)C3)cc1 ZINC001172064013 1384714877 /nfs/dbraw/zinc/71/48/77/1384714877.db2.gz DEABKOZONPZLDI-MZADTFQBSA-N 2 1 327.516 3.258 20 0 EGADMP C[C@@H]1CC[C@@H](O)C[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172068836 1384718156 /nfs/dbraw/zinc/71/81/56/1384718156.db2.gz LIDHUBVTBJBDKL-BVJIBDCISA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1CC[C@@H](O)C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172068836 1384718159 /nfs/dbraw/zinc/71/81/59/1384718159.db2.gz LIDHUBVTBJBDKL-BVJIBDCISA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1CC[C@@H](O)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068836 1384718161 /nfs/dbraw/zinc/71/81/61/1384718161.db2.gz LIDHUBVTBJBDKL-BVJIBDCISA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1CC[C@@H](O)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068836 1384718163 /nfs/dbraw/zinc/71/81/63/1384718163.db2.gz LIDHUBVTBJBDKL-BVJIBDCISA-N 2 1 328.500 3.417 20 0 EGADMP c1nn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2c1C[NH2+]CC2 ZINC001172068741 1384718175 /nfs/dbraw/zinc/71/81/75/1384718175.db2.gz KELIITWTTSSIBO-ACDBMABISA-N 2 1 336.483 3.287 20 0 EGADMP Cn1ccnc1CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075618 1384720377 /nfs/dbraw/zinc/72/03/77/1384720377.db2.gz CLKMLDVQPSTNLU-ACDBMABISA-N 2 1 338.499 3.138 20 0 EGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172081772 1384722486 /nfs/dbraw/zinc/72/24/86/1384722486.db2.gz YZMKJWYHWLKMSW-BJWYYQGGSA-N 2 1 339.524 3.366 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(c1ccccn1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172110677 1384729484 /nfs/dbraw/zinc/72/94/84/1384729484.db2.gz LLUAMPTUJWFHNS-HWHMVJPJSA-N 2 1 328.504 3.173 20 0 EGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109623 1384730038 /nfs/dbraw/zinc/73/00/38/1384730038.db2.gz HXKRPQJJJUDBHD-YXOJAJARSA-N 2 1 342.531 3.169 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109623 1384730041 /nfs/dbraw/zinc/73/00/41/1384730041.db2.gz HXKRPQJJJUDBHD-YXOJAJARSA-N 3 1 342.531 3.169 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109623 1384730043 /nfs/dbraw/zinc/73/00/43/1384730043.db2.gz HXKRPQJJJUDBHD-YXOJAJARSA-N 3 1 342.531 3.169 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109623 1384730045 /nfs/dbraw/zinc/73/00/45/1384730045.db2.gz HXKRPQJJJUDBHD-YXOJAJARSA-N 3 1 342.531 3.169 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109623 1384730048 /nfs/dbraw/zinc/73/00/48/1384730048.db2.gz HXKRPQJJJUDBHD-YXOJAJARSA-N 3 1 342.531 3.169 20 0 EGADMP Cc1ccc(C2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCOCC2)nc1 ZINC001172112091 1384730225 /nfs/dbraw/zinc/73/02/25/1384730225.db2.gz RMGUNOMJQMJVFF-LDLYASANSA-N 2 1 343.515 3.043 20 0 EGADMP COc1cccc(C2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCOCC2)c1 ZINC001172114776 1384730915 /nfs/dbraw/zinc/73/09/15/1384730915.db2.gz QBWJKRPOSHSNNV-REPLKXPHSA-N 2 1 344.499 3.306 20 0 EGADMP COc1cccc(C2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCOCC2)c1 ZINC001172114776 1384730919 /nfs/dbraw/zinc/73/09/19/1384730919.db2.gz QBWJKRPOSHSNNV-REPLKXPHSA-N 2 1 344.499 3.306 20 0 EGADMP CCOc1ccccc1N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172113747 1384731354 /nfs/dbraw/zinc/73/13/54/1384731354.db2.gz LGJUCTZRDXBFIH-BWTSREIZSA-N 2 1 343.515 3.223 20 0 EGADMP CCOc1ccccc1N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172113747 1384731357 /nfs/dbraw/zinc/73/13/57/1384731357.db2.gz LGJUCTZRDXBFIH-BWTSREIZSA-N 2 1 343.515 3.223 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001316983061 1384740350 /nfs/dbraw/zinc/74/03/50/1384740350.db2.gz NOBCZCWLFNAYHL-YOEHRIQHSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001316983061 1384740352 /nfs/dbraw/zinc/74/03/52/1384740352.db2.gz NOBCZCWLFNAYHL-YOEHRIQHSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001316983061 1384740353 /nfs/dbraw/zinc/74/03/53/1384740353.db2.gz NOBCZCWLFNAYHL-YOEHRIQHSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001316983061 1384740354 /nfs/dbraw/zinc/74/03/54/1384740354.db2.gz NOBCZCWLFNAYHL-YOEHRIQHSA-N 2 1 349.906 3.076 20 0 EGADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@@H]1CSc2ccccc2C1 ZINC001172205427 1384747698 /nfs/dbraw/zinc/74/76/98/1384747698.db2.gz WKDINNZGDJDNIQ-INIZCTEOSA-N 3 1 335.561 3.179 20 0 EGADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]C(C)(C)C[NH3+])CC1 ZINC001172209982 1384748899 /nfs/dbraw/zinc/74/88/99/1384748899.db2.gz RIJWTIKZMBBOMM-UHFFFAOYSA-N 2 1 338.879 3.020 20 0 EGADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172226710 1384751998 /nfs/dbraw/zinc/75/19/98/1384751998.db2.gz HCSOBNXWJUBKGR-IHWFROFDSA-N 2 1 332.463 3.432 20 0 EGADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172226710 1384752000 /nfs/dbraw/zinc/75/20/00/1384752000.db2.gz HCSOBNXWJUBKGR-IHWFROFDSA-N 2 1 332.463 3.432 20 0 EGADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172245702 1384754972 /nfs/dbraw/zinc/75/49/72/1384754972.db2.gz NKRZGRSIEKSUPL-IHWFROFDSA-N 2 1 330.447 3.208 20 0 EGADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172245702 1384754974 /nfs/dbraw/zinc/75/49/74/1384754974.db2.gz NKRZGRSIEKSUPL-IHWFROFDSA-N 2 1 330.447 3.208 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC001172258355 1384757144 /nfs/dbraw/zinc/75/71/44/1384757144.db2.gz ZCKNOLGCGYRDOJ-FQEVSTJZSA-N 2 1 334.479 3.334 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC001172258355 1384757148 /nfs/dbraw/zinc/75/71/48/1384757148.db2.gz ZCKNOLGCGYRDOJ-FQEVSTJZSA-N 2 1 334.479 3.334 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3COC(C)(C)C3)C[C@H]21 ZINC001172288750 1384760990 /nfs/dbraw/zinc/76/09/90/1384760990.db2.gz ZDDAAKTXFCCQSO-GSEOLPGOSA-N 2 1 343.515 3.181 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3COC(C)(C)C3)C[C@H]21 ZINC001172288750 1384760993 /nfs/dbraw/zinc/76/09/93/1384760993.db2.gz ZDDAAKTXFCCQSO-GSEOLPGOSA-N 2 1 343.515 3.181 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3COC(C)(C)C3)C[C@H]21 ZINC001172288750 1384760997 /nfs/dbraw/zinc/76/09/97/1384760997.db2.gz ZDDAAKTXFCCQSO-GSEOLPGOSA-N 2 1 343.515 3.181 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3COC(C)(C)C3)C[C@H]21 ZINC001172288750 1384761001 /nfs/dbraw/zinc/76/10/01/1384761001.db2.gz ZDDAAKTXFCCQSO-GSEOLPGOSA-N 2 1 343.515 3.181 20 0 EGADMP COc1ccc(CC[NH+]2CCC([NH2+][C@H](C)CCOC(C)C)CC2)cc1 ZINC001172440636 1384791945 /nfs/dbraw/zinc/79/19/45/1384791945.db2.gz GPLUCIASPYTBCV-GOSISDBHSA-N 2 1 348.531 3.495 20 0 EGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172561335 1384812064 /nfs/dbraw/zinc/81/20/64/1384812064.db2.gz PYLVLMXRRKUOLZ-MOPGFXCFSA-N 2 1 332.488 3.140 20 0 EGADMP CCCC[C@@H]1C[C@@H]([NH2+]C(C)(C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172622854 1384820751 /nfs/dbraw/zinc/82/07/51/1384820751.db2.gz OLBBJXBIAFPVQS-LSDHHAIUSA-N 2 1 327.513 3.272 20 0 EGADMP CC(C)OC(=O)CC[C@H](C)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172754743 1384844301 /nfs/dbraw/zinc/84/43/01/1384844301.db2.gz YNHUNGVXPYGZAP-LNLFQRSKSA-N 2 1 347.503 3.274 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001172767535 1384847404 /nfs/dbraw/zinc/84/74/04/1384847404.db2.gz HLQMIVOZXKWTJZ-XUVXKRRUSA-N 2 1 344.499 3.220 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3[nH+]cccc3C)CC2)CC1 ZINC001172793074 1384852884 /nfs/dbraw/zinc/85/28/84/1384852884.db2.gz SSUBVKXGAWJHBN-SJORKVTESA-N 2 1 345.487 3.070 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001172794727 1384853811 /nfs/dbraw/zinc/85/38/11/1384853811.db2.gz GATMESQDFFATMT-XWSJACJDSA-N 2 1 336.520 3.447 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001172794727 1384853813 /nfs/dbraw/zinc/85/38/13/1384853813.db2.gz GATMESQDFFATMT-XWSJACJDSA-N 2 1 336.520 3.447 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001172794727 1384853815 /nfs/dbraw/zinc/85/38/15/1384853815.db2.gz GATMESQDFFATMT-XWSJACJDSA-N 2 1 336.520 3.447 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2Cc3cccc(C(=O)OC)c3C2)CC1 ZINC001173113718 1384917899 /nfs/dbraw/zinc/91/78/99/1384917899.db2.gz CQTZYWBBXDNMNA-UHFFFAOYSA-N 2 1 330.472 3.442 20 0 EGADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001173121363 1384918486 /nfs/dbraw/zinc/91/84/86/1384918486.db2.gz QCEVOKNPVXODSU-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001173121363 1384918495 /nfs/dbraw/zinc/91/84/95/1384918495.db2.gz QCEVOKNPVXODSU-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC001173174810 1384930846 /nfs/dbraw/zinc/93/08/46/1384930846.db2.gz CTKRSTFCUBDQIM-MJUUVYJYSA-N 2 1 328.500 3.398 20 0 EGADMP C[C@H]1C[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC001173174810 1384930848 /nfs/dbraw/zinc/93/08/48/1384930848.db2.gz CTKRSTFCUBDQIM-MJUUVYJYSA-N 2 1 328.500 3.398 20 0 EGADMP C[C@H]1C[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC001173174810 1384930850 /nfs/dbraw/zinc/93/08/50/1384930850.db2.gz CTKRSTFCUBDQIM-MJUUVYJYSA-N 2 1 328.500 3.398 20 0 EGADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001173360168 1384964231 /nfs/dbraw/zinc/96/42/31/1384964231.db2.gz HVZOMDUPTDOIMC-ZULIPRJHSA-N 2 1 347.572 3.375 20 0 EGADMP CCN1CC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001173360168 1384964234 /nfs/dbraw/zinc/96/42/34/1384964234.db2.gz HVZOMDUPTDOIMC-ZULIPRJHSA-N 2 1 347.572 3.375 20 0 EGADMP CCN1CC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001173360168 1384964241 /nfs/dbraw/zinc/96/42/41/1384964241.db2.gz HVZOMDUPTDOIMC-ZULIPRJHSA-N 2 1 347.572 3.375 20 0 EGADMP CC[N@@H+]1CC[C@H](N2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001173360168 1384964244 /nfs/dbraw/zinc/96/42/44/1384964244.db2.gz HVZOMDUPTDOIMC-ZULIPRJHSA-N 2 1 347.572 3.375 20 0 EGADMP CC[N@H+]1CC[C@H](N2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001173360168 1384964252 /nfs/dbraw/zinc/96/42/52/1384964252.db2.gz HVZOMDUPTDOIMC-ZULIPRJHSA-N 2 1 347.572 3.375 20 0 EGADMP CC[NH+]1CC[C@H](N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001173360168 1384964258 /nfs/dbraw/zinc/96/42/58/1384964258.db2.gz HVZOMDUPTDOIMC-ZULIPRJHSA-N 2 1 347.572 3.375 20 0 EGADMP CC[NH+]1CC[C@H](N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001173360168 1384964262 /nfs/dbraw/zinc/96/42/62/1384964262.db2.gz HVZOMDUPTDOIMC-ZULIPRJHSA-N 2 1 347.572 3.375 20 0 EGADMP COC(=O)CCCC[C@@H](C)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173443804 1384971091 /nfs/dbraw/zinc/97/10/91/1384971091.db2.gz CVNHCNKGIXGGIS-BHIYHBOVSA-N 2 1 347.503 3.275 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173669102 1385000474 /nfs/dbraw/zinc/00/04/74/1385000474.db2.gz KMTMLUTZJWOPEG-UHFFFAOYSA-N 2 1 335.458 3.065 20 0 EGADMP CCC[N@@H+](CCC[NH3+])C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173673526 1385001156 /nfs/dbraw/zinc/00/11/56/1385001156.db2.gz OBUGZXCTDUDGRM-HUUCEWRRSA-N 2 1 327.513 3.224 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](CC)c1ccc(F)cc1 ZINC001317448346 1385148649 /nfs/dbraw/zinc/14/86/49/1385148649.db2.gz KKSBEDXGSBRHEA-OALUTQOASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](CC)c1ccc(F)cc1 ZINC001317448346 1385148650 /nfs/dbraw/zinc/14/86/50/1385148650.db2.gz KKSBEDXGSBRHEA-OALUTQOASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](CC)c1ccc(F)cc1 ZINC001317448346 1385148651 /nfs/dbraw/zinc/14/86/51/1385148651.db2.gz KKSBEDXGSBRHEA-OALUTQOASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC(C)C)C1 ZINC001174880772 1385164255 /nfs/dbraw/zinc/16/42/55/1385164255.db2.gz HEWBUMXLQALGEJ-ROUUACIJSA-N 2 1 325.541 3.029 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174905192 1385168382 /nfs/dbraw/zinc/16/83/82/1385168382.db2.gz HFSGHENTEFXBQD-BZSNNMDCSA-N 2 1 343.531 3.121 20 0 EGADMP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175257206 1385231765 /nfs/dbraw/zinc/23/17/65/1385231765.db2.gz WUTGSVWTPJJNDY-IAGOWNOFSA-N 2 1 325.541 3.172 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317520620 1385239226 /nfs/dbraw/zinc/23/92/26/1385239226.db2.gz PEFDUSXEBSCKMQ-IEBWSBKVSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175295171 1385242151 /nfs/dbraw/zinc/24/21/51/1385242151.db2.gz DCQMNVCGRBHQAJ-ADKAHSJRSA-N 2 1 339.568 3.275 20 0 EGADMP CC(C)[C@@H](C(=O)NCC[N@H+]([C@@H](C)c1ccccc1F)C1CC1)[NH+](C)C ZINC001317552856 1385314397 /nfs/dbraw/zinc/31/43/97/1385314397.db2.gz XPBZANAZXMLARV-KXBFYZLASA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[C@@H](C(=O)NCC[N@@H+]([C@@H](C)c1ccccc1F)C1CC1)[NH+](C)C ZINC001317552856 1385314402 /nfs/dbraw/zinc/31/44/02/1385314402.db2.gz XPBZANAZXMLARV-KXBFYZLASA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1 ZINC001175529548 1385322984 /nfs/dbraw/zinc/32/29/84/1385322984.db2.gz YNDMQJGOKCPVLD-INIZCTEOSA-N 2 1 334.508 3.071 20 0 EGADMP CC[C@@H](C(=O)NCC[N@@H+](CC1CCC(C)(C)CC1)C1CC1)[NH+](C)C ZINC001317557404 1385329132 /nfs/dbraw/zinc/32/91/32/1385329132.db2.gz XQRXIIKTSXVFIX-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1 ZINC001175571445 1385334607 /nfs/dbraw/zinc/33/46/07/1385334607.db2.gz BJSMUUWVXIHLLZ-PKOBYXMFSA-N 2 1 337.552 3.314 20 0 EGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175704009 1385378598 /nfs/dbraw/zinc/37/85/98/1385378598.db2.gz POYAETKBHLNJPB-QGZVFWFLSA-N 2 1 336.524 3.427 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCCF ZINC001175738792 1385391168 /nfs/dbraw/zinc/39/11/68/1385391168.db2.gz MDXZYAJNYUKEKJ-KRWDZBQOSA-N 2 1 331.520 3.123 20 0 EGADMP CC(C)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C(C)C)c1ccccc1 ZINC001317724033 1385424470 /nfs/dbraw/zinc/42/44/70/1385424470.db2.gz LBEUCTJBJQZDAJ-GOSISDBHSA-N 2 1 342.487 3.110 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001175905916 1385434771 /nfs/dbraw/zinc/43/47/71/1385434771.db2.gz FIXYCJAPDWCYCS-VQTJNVASSA-N 2 1 333.495 3.379 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCC1CCCC1 ZINC001176025200 1385464878 /nfs/dbraw/zinc/46/48/78/1385464878.db2.gz ZBZPSRKZFULLJL-QGZVFWFLSA-N 2 1 325.541 3.173 20 0 EGADMP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176164676 1385500232 /nfs/dbraw/zinc/50/02/32/1385500232.db2.gz DCSPLGQKNUMWKE-QZTJIDSGSA-N 2 1 339.568 3.419 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)C ZINC001176268924 1385532636 /nfs/dbraw/zinc/53/26/36/1385532636.db2.gz OIYXNJLPVLVJOF-SFHVURJKSA-N 2 1 327.557 3.419 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C)c1 ZINC001176278171 1385536030 /nfs/dbraw/zinc/53/60/30/1385536030.db2.gz IDQJKQXGPXYTOB-GOSISDBHSA-N 2 1 333.520 3.101 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cc(C)ccc1C ZINC001176280369 1385537714 /nfs/dbraw/zinc/53/77/14/1385537714.db2.gz ZFUXSURMMLKRKN-LJQANCHMSA-N 2 1 347.547 3.410 20 0 EGADMP CC[C@H](C(=O)N1CCC(C[N@@H+](C)C[C@@H](C)CC(C)C)CC1)[NH+](C)C ZINC001317876540 1385555580 /nfs/dbraw/zinc/55/55/80/1385555580.db2.gz IDDGVIDYZGRZDM-PKOBYXMFSA-N 2 1 339.568 3.179 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317985104 1385599308 /nfs/dbraw/zinc/59/93/08/1385599308.db2.gz MRTSHMWFCBRHRP-OTWHNJEPSA-N 2 1 331.504 3.059 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176564026 1385626182 /nfs/dbraw/zinc/62/61/82/1385626182.db2.gz KDRUVLFDERBRPT-HKUYNNGSSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001176754450 1385684805 /nfs/dbraw/zinc/68/48/05/1385684805.db2.gz VZZXCRKKCMLLTJ-CVEARBPZSA-N 2 1 347.494 3.027 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001176986405 1385764317 /nfs/dbraw/zinc/76/43/17/1385764317.db2.gz NDBSYHBSXKQVSG-KRWDZBQOSA-N 2 1 341.499 3.337 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001176992480 1385766868 /nfs/dbraw/zinc/76/68/68/1385766868.db2.gz RACVFKYDEKMHJI-QARGNGGGSA-N 2 1 343.515 3.060 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)cc2)CC1 ZINC001177266200 1385889915 /nfs/dbraw/zinc/88/99/15/1385889915.db2.gz CNCWAPKUBUIMHL-GOTSBHOMSA-N 2 1 349.522 3.327 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001318959338 1385897738 /nfs/dbraw/zinc/89/77/38/1385897738.db2.gz ONYATNPJLIGTOE-MKXGPGLRSA-N 2 1 337.552 3.170 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001177335766 1385918020 /nfs/dbraw/zinc/91/80/20/1385918020.db2.gz KAIALLIMZMHGJC-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177342000 1385921250 /nfs/dbraw/zinc/92/12/50/1385921250.db2.gz GWZTWYMVKXNWIN-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001177348175 1385923349 /nfs/dbraw/zinc/92/33/49/1385923349.db2.gz BEQYRNMEZNVNJJ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001177415779 1385948786 /nfs/dbraw/zinc/94/87/86/1385948786.db2.gz LGOBRSHXVFBITN-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001177489061 1385976335 /nfs/dbraw/zinc/97/63/35/1385976335.db2.gz SDSIFSFDUJXGOL-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)C(C)C ZINC001177489020 1385976486 /nfs/dbraw/zinc/97/64/86/1385976486.db2.gz QYLAPKJGNOWLRY-UHFFFAOYSA-N 2 1 339.568 3.371 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N(CCC[NH2+]CC[C@@H](C)F)CC1CCCC1 ZINC001177489258 1385976774 /nfs/dbraw/zinc/97/67/74/1385976774.db2.gz XBCKDKKEPLTZTR-QGZVFWFLSA-N 2 1 343.531 3.073 20 0 EGADMP COc1cc(OC)c(CNCc2ccc(-n3ccnc3)cc2)cc1F ZINC001177565522 1385998537 /nfs/dbraw/zinc/99/85/37/1385998537.db2.gz DKWMZEPIZVACQH-UHFFFAOYSA-N 2 1 341.386 3.318 20 0 EGADMP Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@H]2CCC[N@@H+]2C)cc1C ZINC001178045806 1386115623 /nfs/dbraw/zinc/11/56/23/1386115623.db2.gz WIZRNWYOWGRTJL-HXUWFJFHSA-N 2 1 345.531 3.164 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001178045617 1386115857 /nfs/dbraw/zinc/11/58/57/1386115857.db2.gz PRMXBJYDWLAMKC-HXUWFJFHSA-N 2 1 345.531 3.164 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001178468222 1386226546 /nfs/dbraw/zinc/22/65/46/1386226546.db2.gz PXYLAURXPAGTAP-ROUUACIJSA-N 2 1 325.541 3.172 20 0 EGADMP CCC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178523340 1386241330 /nfs/dbraw/zinc/24/13/30/1386241330.db2.gz VWQKRNJRMPWOCY-PWBPZBFBSA-N 2 1 337.552 3.339 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]C[C@H](C)CC ZINC001178633658 1386265405 /nfs/dbraw/zinc/26/54/05/1386265405.db2.gz CPZNPJVBICWNBX-QZTJIDSGSA-N 2 1 325.541 3.173 20 0 EGADMP C[N@@H+](CC(=O)NCCCCCC[NH2+]CCCC1CCC1)C1CCC1 ZINC001178705638 1386285093 /nfs/dbraw/zinc/28/50/93/1386285093.db2.gz XAVXSAMAJPRFML-UHFFFAOYSA-N 2 1 337.552 3.317 20 0 EGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001178729352 1386291711 /nfs/dbraw/zinc/29/17/11/1386291711.db2.gz VHBKJEBNACILQT-PHWHVTFISA-N 2 1 337.552 3.483 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001178732787 1386292877 /nfs/dbraw/zinc/29/28/77/1386292877.db2.gz BSQRHQNWJKUQDP-GOSISDBHSA-N 2 1 325.541 3.173 20 0 EGADMP O=C(NCCCCCC[NH2+]C/C=C/Cl)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001178810260 1386313792 /nfs/dbraw/zinc/31/37/92/1386313792.db2.gz AWJSVNMHRLVQAH-LWBCESNNSA-N 2 1 341.927 3.022 20 0 EGADMP O=C(NCCCCCC[NH2+]C/C=C/Cl)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178810261 1386313953 /nfs/dbraw/zinc/31/39/53/1386313953.db2.gz AWJSVNMHRLVQAH-QZKWLWDQSA-N 2 1 341.927 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1ccccc1F ZINC001178827145 1386319154 /nfs/dbraw/zinc/31/91/54/1386319154.db2.gz FFCPJFJVNGGWER-LJQANCHMSA-N 2 1 349.494 3.076 20 0 EGADMP Cc1n[nH]c(=O)c(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)c1C ZINC001319832649 1386324424 /nfs/dbraw/zinc/32/44/24/1386324424.db2.gz RQGOEJSFANYBCA-UHFFFAOYSA-N 2 1 342.487 3.047 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178891388 1386340055 /nfs/dbraw/zinc/34/00/55/1386340055.db2.gz QYHXIROUWSHHMZ-WDSOQIARSA-N 2 1 337.552 3.265 20 0 EGADMP Cc1ccc(C[NH2+][C@H](CNC(=O)C[N@@H+](C)C2CCC2)C(C)C)c(C)c1 ZINC001319915319 1386387907 /nfs/dbraw/zinc/38/79/07/1386387907.db2.gz ABFGYYDOQCZREW-HXUWFJFHSA-N 2 1 345.531 3.018 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]([NH2+][C@H]1CCCc2ccccc21)C(C)C ZINC001319957620 1386418834 /nfs/dbraw/zinc/41/88/34/1386418834.db2.gz QZAVVAPYNJDMTF-PMACEKPBSA-N 2 1 345.531 3.136 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]C[C@H](C)CC)C1 ZINC001179357848 1386462879 /nfs/dbraw/zinc/46/28/79/1386462879.db2.gz NJNCHZHANVZLMZ-MOPGFXCFSA-N 2 1 339.568 3.421 20 0 EGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001179398685 1386475164 /nfs/dbraw/zinc/47/51/64/1386475164.db2.gz MHTURVUZSWJWBH-FHWLQOOXSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001320091620 1386506523 /nfs/dbraw/zinc/50/65/23/1386506523.db2.gz XUNWGDLZHQXCMV-GOSISDBHSA-N 2 1 331.504 3.014 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001179550560 1386512019 /nfs/dbraw/zinc/51/20/19/1386512019.db2.gz ZUUUEQMXMDWHLG-WBNOOXNUSA-N 2 1 337.552 3.290 20 0 EGADMP CC(C)C[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001179742428 1386569596 /nfs/dbraw/zinc/56/95/96/1386569596.db2.gz XXFJQCDJXBXQRY-UHFFFAOYSA-N 2 1 336.524 3.319 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)[C@@H]1C ZINC001179749095 1386571271 /nfs/dbraw/zinc/57/12/71/1386571271.db2.gz XCCZFBIWJPLTLK-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001179776851 1386582092 /nfs/dbraw/zinc/58/20/92/1386582092.db2.gz KNHNCIYVANCGSV-INIZCTEOSA-N 2 1 348.535 3.291 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179788149 1386586031 /nfs/dbraw/zinc/58/60/31/1386586031.db2.gz OLRQNURTHDTPOQ-PMACEKPBSA-N 2 1 349.563 3.460 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)[C@@H]1C ZINC001179861000 1386609681 /nfs/dbraw/zinc/60/96/81/1386609681.db2.gz GZYVJMKSLMWSPU-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001179978948 1386656884 /nfs/dbraw/zinc/65/68/84/1386656884.db2.gz NIWJCTLOXBVCDZ-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)[C@@H]1C ZINC001179979449 1386656920 /nfs/dbraw/zinc/65/69/20/1386656920.db2.gz YVKOWKXRJMIKRR-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCCCCCC[NH2+]CC2=CCCCC2)C1 ZINC001180060699 1386683848 /nfs/dbraw/zinc/68/38/48/1386683848.db2.gz LWIWNBIRLDQURB-LJQANCHMSA-N 2 1 335.536 3.095 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccccc1C ZINC001180117779 1386701489 /nfs/dbraw/zinc/70/14/89/1386701489.db2.gz BTGGULSXBRHAGV-UHFFFAOYSA-N 2 1 347.547 3.493 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]CCCC(C)(C)C)C1 ZINC001180264804 1386750439 /nfs/dbraw/zinc/75/04/39/1386750439.db2.gz LADCSCDUFQPWKL-QGZVFWFLSA-N 2 1 325.541 3.031 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@]1(C)C[NH2+]CC1CCCCCC1 ZINC001180898947 1386894434 /nfs/dbraw/zinc/89/44/34/1386894434.db2.gz HLSOIZQQTMVYED-SLYNCCJLSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH2+]C[C@]1(C)CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001181516855 1387008784 /nfs/dbraw/zinc/00/87/84/1387008784.db2.gz AQGROIFSHWTZJO-FUHIMQAGSA-N 2 1 348.535 3.271 20 0 EGADMP CCCCC[N@@H+](C)CCC(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001181869140 1387066926 /nfs/dbraw/zinc/06/69/26/1387066926.db2.gz RWHDXGXZYZDGIU-UHFFFAOYSA-N 2 1 325.541 3.266 20 0 EGADMP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001182001973 1387092338 /nfs/dbraw/zinc/09/23/38/1387092338.db2.gz XREUSPHEEAPZMH-SVFBPWRDSA-N 2 1 349.563 3.147 20 0 EGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001182152950 1387113347 /nfs/dbraw/zinc/11/33/47/1387113347.db2.gz UMVZXGQLFAEDBH-GVDBMIGSSA-N 2 1 341.540 3.484 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001182152950 1387113351 /nfs/dbraw/zinc/11/33/51/1387113351.db2.gz UMVZXGQLFAEDBH-GVDBMIGSSA-N 2 1 341.540 3.484 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001182614182 1387196571 /nfs/dbraw/zinc/19/65/71/1387196571.db2.gz FJPVQASJUDSSDB-BWPKTWLJSA-N 2 1 349.563 3.291 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)Cc1cccc2ccccc21 ZINC001329590817 1389170163 /nfs/dbraw/zinc/17/01/63/1389170163.db2.gz YOSLYCDSWSQZID-QGZVFWFLSA-N 2 1 341.499 3.118 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)Cc1cccc2ccccc21 ZINC001329590817 1389170168 /nfs/dbraw/zinc/17/01/68/1389170168.db2.gz YOSLYCDSWSQZID-QGZVFWFLSA-N 2 1 341.499 3.118 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc2ccccc21 ZINC001329590817 1389170170 /nfs/dbraw/zinc/17/01/70/1389170170.db2.gz YOSLYCDSWSQZID-QGZVFWFLSA-N 2 1 341.499 3.118 20 0 EGADMP CCCC[C@@H](C[NH2+]Cc1cc(C)cc(C)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001329886033 1389245174 /nfs/dbraw/zinc/24/51/74/1389245174.db2.gz BKXLXMWGNBMRNE-VQTJNVASSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@H]1CCCCC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC001329937269 1389265885 /nfs/dbraw/zinc/26/58/85/1389265885.db2.gz NQIHBNZGONGNMU-UXHICEINSA-N 2 1 345.531 3.134 20 0 EGADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC001338287594 1389619377 /nfs/dbraw/zinc/61/93/77/1389619377.db2.gz FMIZXFOKOLMQPL-GOSISDBHSA-N 2 1 331.504 3.017 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001698746037 1406397524 /nfs/dbraw/zinc/39/75/24/1406397524.db2.gz IIWDVTZZTGEGJX-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP COc1cc(OC)c(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1F ZINC001334356273 1390524099 /nfs/dbraw/zinc/52/40/99/1390524099.db2.gz KTISPBVMORFCCA-LZWOXQAQSA-N 2 1 336.451 3.005 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c2c(n1)CCCC2 ZINC001335583162 1390706142 /nfs/dbraw/zinc/70/61/42/1390706142.db2.gz PTRWGLAEBJGDFV-YQVWRLOYSA-N 2 1 327.516 3.431 20 0 EGADMP CC(C)N(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cn1 ZINC001343334275 1390707844 /nfs/dbraw/zinc/70/78/44/1390707844.db2.gz RTLBMUVLGIHGEO-FHWLQOOXSA-N 2 1 330.520 3.088 20 0 EGADMP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)sc2C1 ZINC001345956191 1390897156 /nfs/dbraw/zinc/89/71/56/1390897156.db2.gz MTAOSCMZSZRUNE-PMPSAXMXSA-N 2 1 333.545 3.480 20 0 EGADMP C[C@@H](Nc1nc(N2CCCC2)cc[nH+]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001348083794 1391171029 /nfs/dbraw/zinc/17/10/29/1391171029.db2.gz INRRKMUHQBHVDA-CVEARBPZSA-N 2 1 329.492 3.142 20 0 EGADMP C[C@@H](Nc1nc(N2CCCC2)cc[nH+]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001348083794 1391171030 /nfs/dbraw/zinc/17/10/30/1391171030.db2.gz INRRKMUHQBHVDA-CVEARBPZSA-N 2 1 329.492 3.142 20 0 EGADMP CCOCc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1OC ZINC001349326353 1391321667 /nfs/dbraw/zinc/32/16/67/1391321667.db2.gz XCIUWDUNFKFALM-UHFFFAOYSA-N 2 1 332.488 3.197 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@](C)([NH3+])c2ccccc2)cc1Cl ZINC001349897701 1391382500 /nfs/dbraw/zinc/38/25/00/1391382500.db2.gz RMRBXUZWZCPCSL-SFHVURJKSA-N 2 1 331.847 3.214 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3ncc(C(F)(F)F)s3)C[C@H]2C1 ZINC001352113159 1391760858 /nfs/dbraw/zinc/76/08/58/1391760858.db2.gz QAOGMNMSKOFNBU-IJLUTSLNSA-N 2 1 333.423 3.324 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ncc(C(F)(F)F)s3)C[C@H]2C1 ZINC001352113159 1391760862 /nfs/dbraw/zinc/76/08/62/1391760862.db2.gz QAOGMNMSKOFNBU-IJLUTSLNSA-N 2 1 333.423 3.324 20 0 EGADMP Cn1c2ccccc2n(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1=S ZINC001352759886 1391844173 /nfs/dbraw/zinc/84/41/73/1391844173.db2.gz HJCLLSWIGAYHIK-HRCADAONSA-N 2 1 344.528 3.329 20 0 EGADMP C[C@@H](C[NH2+]CC1CC(C)C1)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001698838020 1406533035 /nfs/dbraw/zinc/53/30/35/1406533035.db2.gz IYVGQEASFSIGDR-ADKAHSJRSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+](CCC1CC[NH+](Cc2noc3c2COCC3)CC1)CC1CC1 ZINC001354469067 1392146208 /nfs/dbraw/zinc/14/62/08/1392146208.db2.gz LQMDYBOLVMKTTD-UHFFFAOYSA-N 2 1 347.503 3.081 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2noc3c2COCC3)CC1)CC1CC1 ZINC001354469067 1392146209 /nfs/dbraw/zinc/14/62/09/1392146209.db2.gz LQMDYBOLVMKTTD-UHFFFAOYSA-N 2 1 347.503 3.081 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCC1CC1 ZINC001479829257 1392416602 /nfs/dbraw/zinc/41/66/02/1392416602.db2.gz LMSVUNZJKDCXJC-WMZOPIPTSA-N 2 1 346.519 3.166 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CC(C)(C)C ZINC001480099543 1392584446 /nfs/dbraw/zinc/58/44/46/1392584446.db2.gz CHIYEIBGUWLJIF-HDICACEKSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001480099543 1392584450 /nfs/dbraw/zinc/58/44/50/1392584450.db2.gz CHIYEIBGUWLJIF-HDICACEKSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)(C)CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001480102928 1392586132 /nfs/dbraw/zinc/58/61/32/1392586132.db2.gz CHBWJABVCLRAPO-KDURUIRLSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2C(C)C)C1 ZINC001480672914 1392846590 /nfs/dbraw/zinc/84/65/90/1392846590.db2.gz PKNPDNNNVHSHGP-SFHVURJKSA-N 2 1 345.531 3.090 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001480740236 1392906286 /nfs/dbraw/zinc/90/62/86/1392906286.db2.gz XARGVAAVNJNCPU-ICSRJNTNSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001480740236 1392906287 /nfs/dbraw/zinc/90/62/87/1392906287.db2.gz XARGVAAVNJNCPU-ICSRJNTNSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001480740236 1392906289 /nfs/dbraw/zinc/90/62/89/1392906289.db2.gz XARGVAAVNJNCPU-ICSRJNTNSA-N 2 1 345.531 3.321 20 0 EGADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC1CCCCC1 ZINC001480873441 1392992197 /nfs/dbraw/zinc/99/21/97/1392992197.db2.gz DXPJTENKRQAYHD-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CC1CCCCC1 ZINC001480873441 1392992199 /nfs/dbraw/zinc/99/21/99/1392992199.db2.gz DXPJTENKRQAYHD-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)CC1CCCCC1 ZINC001480873441 1392992200 /nfs/dbraw/zinc/99/22/00/1392992200.db2.gz DXPJTENKRQAYHD-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CCc1cccc(C[N@@H+](CC)CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)c1 ZINC001480974767 1393059512 /nfs/dbraw/zinc/05/95/12/1393059512.db2.gz VUXAMYYWBTUTJQ-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[NH+](CC)CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001480974767 1393059515 /nfs/dbraw/zinc/05/95/15/1393059515.db2.gz VUXAMYYWBTUTJQ-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[NH+](CC)CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001480974767 1393059522 /nfs/dbraw/zinc/05/95/22/1393059522.db2.gz VUXAMYYWBTUTJQ-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP CC[C@H](C)C[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001480975711 1393060463 /nfs/dbraw/zinc/06/04/63/1393060463.db2.gz ZRUUTPBQRBERQQ-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@H](C)C[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001480975711 1393060470 /nfs/dbraw/zinc/06/04/70/1393060470.db2.gz ZRUUTPBQRBERQQ-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@H](C)C[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001480975711 1393060475 /nfs/dbraw/zinc/06/04/75/1393060475.db2.gz ZRUUTPBQRBERQQ-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001481215171 1393150073 /nfs/dbraw/zinc/15/00/73/1393150073.db2.gz GJQWLMHJVLNKIR-JXFKEZNVSA-N 2 1 339.483 3.043 20 0 EGADMP CC(C)c1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+]2C)[NH2+]CC2CC2)cc1 ZINC001481357705 1393178940 /nfs/dbraw/zinc/17/89/40/1393178940.db2.gz IRTZKVAAKRSBNF-VQTJNVASSA-N 2 1 343.515 3.061 20 0 EGADMP CCC(CC)C[N@@H+](C)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001481515676 1394363822 /nfs/dbraw/zinc/36/38/22/1394363822.db2.gz YQRPNQWFKDEKKK-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001491253318 1394492360 /nfs/dbraw/zinc/49/23/60/1394492360.db2.gz NDWDEDUPVZZIMQ-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001482035347 1394696585 /nfs/dbraw/zinc/69/65/85/1394696585.db2.gz XJKYVHYAYSFTNY-YLJYHZDGSA-N 2 1 345.531 3.026 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C)CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001483974879 1395170539 /nfs/dbraw/zinc/17/05/39/1395170539.db2.gz VCHGVRALVLWHJF-KRWDZBQOSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@]1(C)CCC[NH+](Cc2cccc(C)c2)C1 ZINC001484175197 1395321569 /nfs/dbraw/zinc/32/15/69/1395321569.db2.gz UKIAFZLAPPEVNM-NRFANRHFSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]1(C)CCC[N@H+](Cc2cccc(C)c2)C1 ZINC001484175197 1395321574 /nfs/dbraw/zinc/32/15/74/1395321574.db2.gz UKIAFZLAPPEVNM-NRFANRHFSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]1(C)CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC001484175197 1395321577 /nfs/dbraw/zinc/32/15/77/1395321577.db2.gz UKIAFZLAPPEVNM-NRFANRHFSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](CC[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001484549373 1395430766 /nfs/dbraw/zinc/43/07/66/1395430766.db2.gz JXXMZBPVWOLYFP-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)[C@H](C(=O)N(C)CCC[N@@H+](C)CC1CCCCCC1)[NH+](C)C ZINC001484757855 1395509809 /nfs/dbraw/zinc/50/98/09/1395509809.db2.gz WERWRONCLRBWKB-LJQANCHMSA-N 2 1 339.568 3.323 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001484762022 1395515316 /nfs/dbraw/zinc/51/53/16/1395515316.db2.gz NJOWNGPHYAVHNQ-LJQANCHMSA-N 2 1 345.531 3.260 20 0 EGADMP C[C@@H](C(=O)N(C)CC[N@@H+](C)CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001698996869 1406796630 /nfs/dbraw/zinc/79/66/30/1406796630.db2.gz FZNYWEWPODYBGZ-SFHVURJKSA-N 2 1 339.568 3.467 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH+](C)CCCC(C)(C)C)CC2)C1 ZINC001485763450 1396139604 /nfs/dbraw/zinc/13/96/04/1396139604.db2.gz OIUWQNAEBVMXNB-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC([N@H+](C)CCCC(C)(C)C)CC2)C1 ZINC001485763450 1396139606 /nfs/dbraw/zinc/13/96/06/1396139606.db2.gz OIUWQNAEBVMXNB-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC([N@@H+](C)CCCC(C)(C)C)CC2)C1 ZINC001485763450 1396139607 /nfs/dbraw/zinc/13/96/07/1396139607.db2.gz OIUWQNAEBVMXNB-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1C/C=C\c1ccccc1 ZINC001502968243 1396235786 /nfs/dbraw/zinc/23/57/86/1396235786.db2.gz LHDHDBCCSAXRBW-GDSCYZHGSA-N 2 1 343.515 3.011 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1C/C=C\c1ccccc1 ZINC001502968246 1396235893 /nfs/dbraw/zinc/23/58/93/1396235893.db2.gz LHDHDBCCSAXRBW-PJKWBFRZSA-N 2 1 343.515 3.011 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1c(C)cccc1C ZINC001505410327 1396294109 /nfs/dbraw/zinc/29/41/09/1396294109.db2.gz FNQMGAQWMBMIMT-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001492166310 1396311339 /nfs/dbraw/zinc/31/13/39/1396311339.db2.gz LRQZKPHTHHKYKM-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001492166310 1396311340 /nfs/dbraw/zinc/31/13/40/1396311340.db2.gz LRQZKPHTHHKYKM-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC001492166310 1396311341 /nfs/dbraw/zinc/31/13/41/1396311341.db2.gz LRQZKPHTHHKYKM-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001689052709 1396848188 /nfs/dbraw/zinc/84/81/88/1396848188.db2.gz PTAHYPIUTCDERN-IRXDYDNUSA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001689909700 1404202344 /nfs/dbraw/zinc/20/23/44/1404202344.db2.gz RVLAJQQYWWDCOK-SJORKVTESA-N 2 1 334.508 3.022 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CCCC[NH+]1CCCC1CCCC1)C1CCC1 ZINC001690448165 1404572310 /nfs/dbraw/zinc/57/23/10/1404572310.db2.gz FSIOLZVZSVLXDB-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCC[N@@H+]1CCCC1CCCC1)C1CCC1 ZINC001690448165 1404572317 /nfs/dbraw/zinc/57/23/17/1404572317.db2.gz FSIOLZVZSVLXDB-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCC[N@H+]1CCCC1CCCC1)C1CCC1 ZINC001690448165 1404572319 /nfs/dbraw/zinc/57/23/19/1404572319.db2.gz FSIOLZVZSVLXDB-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001690501381 1404614299 /nfs/dbraw/zinc/61/42/99/1404614299.db2.gz KKNCJUIADVLAAZ-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP C[N@@H+](CCC(=O)NC1CCC([NH2+]CC2CCC2)CC1)C1CCCCC1 ZINC001690537494 1404625896 /nfs/dbraw/zinc/62/58/96/1404625896.db2.gz VFAUIFQZHMSKFB-UHFFFAOYSA-N 2 1 349.563 3.458 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CCC[NH+]1CCCC(C)(C)C)CC(C)(C)C ZINC001691097349 1405034660 /nfs/dbraw/zinc/03/46/60/1405034660.db2.gz KCXFHAOGVATQKG-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@@H+]1CCCC(C)(C)C)CC(C)(C)C ZINC001691097349 1405034663 /nfs/dbraw/zinc/03/46/63/1405034663.db2.gz KCXFHAOGVATQKG-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@H+]1CCCC(C)(C)C)CC(C)(C)C ZINC001691097349 1405034664 /nfs/dbraw/zinc/03/46/64/1405034664.db2.gz KCXFHAOGVATQKG-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001691147346 1405080649 /nfs/dbraw/zinc/08/06/49/1405080649.db2.gz UTRIXINEPGOWCP-VJANTYMQSA-N 2 1 337.552 3.026 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001691160537 1405096835 /nfs/dbraw/zinc/09/68/35/1405096835.db2.gz YLGAPNYDYHWHKU-QGZVFWFLSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001691160537 1405096840 /nfs/dbraw/zinc/09/68/40/1405096840.db2.gz YLGAPNYDYHWHKU-QGZVFWFLSA-N 2 1 348.535 3.271 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccc(CC)cc1 ZINC001691189354 1405128720 /nfs/dbraw/zinc/12/87/20/1405128720.db2.gz XRSIJTUXFDFIMI-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccc(CC)cc1 ZINC001691189354 1405128722 /nfs/dbraw/zinc/12/87/22/1405128722.db2.gz XRSIJTUXFDFIMI-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001691203246 1405143668 /nfs/dbraw/zinc/14/36/68/1405143668.db2.gz RJLBFFNXOJOCRG-KSSFIOAISA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001691203246 1405143671 /nfs/dbraw/zinc/14/36/71/1405143671.db2.gz RJLBFFNXOJOCRG-KSSFIOAISA-N 2 1 349.906 3.076 20 0 EGADMP O=C(NCC[N@@H+](CC1CCCC1)C1CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001691212844 1405152320 /nfs/dbraw/zinc/15/23/20/1405152320.db2.gz AYKAWVNDHMZMJA-FQEVSTJZSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NCC[NH+](CC1CCCC1)C1CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001691212844 1405152326 /nfs/dbraw/zinc/15/23/26/1405152326.db2.gz AYKAWVNDHMZMJA-FQEVSTJZSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NCC[NH+](CC1CCCC1)C1CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001691212844 1405152330 /nfs/dbraw/zinc/15/23/30/1405152330.db2.gz AYKAWVNDHMZMJA-FQEVSTJZSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001691222314 1405163034 /nfs/dbraw/zinc/16/30/34/1405163034.db2.gz YYOCWWZYCDSHCE-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001691222314 1405163040 /nfs/dbraw/zinc/16/30/40/1405163040.db2.gz YYOCWWZYCDSHCE-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001691222314 1405163042 /nfs/dbraw/zinc/16/30/42/1405163042.db2.gz YYOCWWZYCDSHCE-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCCn3cc[nH+]c3C)C2)CC1 ZINC001691277229 1405189065 /nfs/dbraw/zinc/18/90/65/1405189065.db2.gz TVQBOKZGIGATOK-QGZVFWFLSA-N 2 1 346.519 3.085 20 0 EGADMP C[NH+](C)C1(C(=O)NCC[C@@H]2CC[N@@H+](CCCC3CCCC3)C2)CCC1 ZINC001691887816 1405610881 /nfs/dbraw/zinc/61/08/81/1405610881.db2.gz JZFCEWIRVMWWGP-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(F)cc2)C1)[NH+](C)C ZINC001692093312 1405768998 /nfs/dbraw/zinc/76/89/98/1405768998.db2.gz ZFVIJZBTMILMJW-LZQZEXGQSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2ccc(F)cc2)C1)[NH+](C)C ZINC001692093312 1405769000 /nfs/dbraw/zinc/76/90/00/1405769000.db2.gz ZFVIJZBTMILMJW-LZQZEXGQSA-N 2 1 349.494 3.054 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1CC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001732059004 1428306129 /nfs/dbraw/zinc/30/61/29/1428306129.db2.gz KYBYUWWDWRVSEP-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC001732059004 1428306135 /nfs/dbraw/zinc/30/61/35/1428306135.db2.gz KYBYUWWDWRVSEP-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001732059004 1428306137 /nfs/dbraw/zinc/30/61/37/1428306137.db2.gz KYBYUWWDWRVSEP-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC2(C[NH+](CCCC(C)(C)C)C2)CC1 ZINC001732405007 1428568569 /nfs/dbraw/zinc/56/85/69/1428568569.db2.gz FKDWLQZSPKUEDF-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1ccc(C(C)C)cc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001699172421 1412551278 /nfs/dbraw/zinc/55/12/78/1412551278.db2.gz DFYWIWMXPHAIBH-PXNSSMCTSA-N 2 1 345.531 3.403 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1ccc(F)cc1)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001699219666 1412584122 /nfs/dbraw/zinc/58/41/22/1412584122.db2.gz FUWPHZKVHJLVBX-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001699679113 1413074100 /nfs/dbraw/zinc/07/41/00/1413074100.db2.gz YVETYLYPTLLQCB-JLYLLQBASA-N 2 1 335.536 3.163 20 0 EGADMP CCC[NH+](CC1CC1)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001699688944 1413091100 /nfs/dbraw/zinc/09/11/00/1413091100.db2.gz KDDBHGIQBNHABU-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001699688944 1413091103 /nfs/dbraw/zinc/09/11/03/1413091103.db2.gz KDDBHGIQBNHABU-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@]3(CC[NH+](CCCC(C)(C)C)C3)C2)C1 ZINC001699702065 1413115599 /nfs/dbraw/zinc/11/55/99/1413115599.db2.gz QDLRDDJAUIUDKK-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@]3(CC[N@H+](CCCC(C)(C)C)C3)C2)C1 ZINC001699702065 1413115601 /nfs/dbraw/zinc/11/56/01/1413115601.db2.gz QDLRDDJAUIUDKK-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@]3(CC[N@@H+](CCCC(C)(C)C)C3)C2)C1 ZINC001699702065 1413115606 /nfs/dbraw/zinc/11/56/06/1413115606.db2.gz QDLRDDJAUIUDKK-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2C)C[C@@H]1C ZINC001699737709 1413149008 /nfs/dbraw/zinc/14/90/08/1413149008.db2.gz JIJCHRANJIXQNL-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCCC2CCCC2)[C@@H](C)C1 ZINC001700321078 1413787126 /nfs/dbraw/zinc/78/71/26/1413787126.db2.gz WNOJWBKZJOITKJ-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)[C@@H](C)C1 ZINC001700321078 1413787131 /nfs/dbraw/zinc/78/71/31/1413787131.db2.gz WNOJWBKZJOITKJ-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)[C@@H](C)C1 ZINC001700321078 1413787137 /nfs/dbraw/zinc/78/71/37/1413787137.db2.gz WNOJWBKZJOITKJ-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001700324279 1413792797 /nfs/dbraw/zinc/79/27/97/1413792797.db2.gz IVBWJQIBEGIWCC-AZUAARDMSA-N 2 1 345.531 3.162 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001700365309 1413887798 /nfs/dbraw/zinc/88/77/98/1413887798.db2.gz VJAWFBQDPOQQCJ-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001700365309 1413887801 /nfs/dbraw/zinc/88/78/01/1413887801.db2.gz VJAWFBQDPOQQCJ-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001700365309 1413887804 /nfs/dbraw/zinc/88/78/04/1413887804.db2.gz VJAWFBQDPOQQCJ-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001700365310 1413887888 /nfs/dbraw/zinc/88/78/88/1413887888.db2.gz VJAWFBQDPOQQCJ-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)C[C@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001700365310 1413887891 /nfs/dbraw/zinc/88/78/91/1413887891.db2.gz VJAWFBQDPOQQCJ-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)C[C@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001700365310 1413887895 /nfs/dbraw/zinc/88/78/95/1413887895.db2.gz VJAWFBQDPOQQCJ-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CCC[NH2+]C/C=C/Cl)c1ccccc1 ZINC001700704943 1414361645 /nfs/dbraw/zinc/36/16/45/1414361645.db2.gz DKUIRWOBZSLKFN-WJRNRCBFSA-N 2 1 349.906 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(CC)cc2)C[C@@H]1C ZINC001700852350 1414500373 /nfs/dbraw/zinc/50/03/73/1414500373.db2.gz VQPJYCPUWVFUBZ-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc2c[nH]cn2)c1 ZINC001732593462 1428822542 /nfs/dbraw/zinc/82/25/42/1428822542.db2.gz ABLWJRUOOCYXFK-DLBZAZTESA-N 2 1 342.487 3.048 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc2cnc[nH]2)c1 ZINC001732593462 1428822548 /nfs/dbraw/zinc/82/25/48/1428822548.db2.gz ABLWJRUOOCYXFK-DLBZAZTESA-N 2 1 342.487 3.048 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc2cnc[nH]2)c1 ZINC001732593462 1428822553 /nfs/dbraw/zinc/82/25/53/1428822553.db2.gz ABLWJRUOOCYXFK-DLBZAZTESA-N 2 1 342.487 3.048 20 0 EGADMP CN(CC[N@@H+](C)CC1CCCCC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001732595203 1428828443 /nfs/dbraw/zinc/82/84/43/1428828443.db2.gz UMYJUDCMLBRANO-UHFFFAOYSA-N 2 1 345.531 3.332 20 0 EGADMP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@H](CC)c1ccc(F)cc1 ZINC001707054543 1417168690 /nfs/dbraw/zinc/16/86/90/1417168690.db2.gz QQHHOZVYRDHSDS-RBUKOAKNSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@H](CC)c1ccc(F)cc1 ZINC001707054543 1417168691 /nfs/dbraw/zinc/16/86/91/1417168691.db2.gz QQHHOZVYRDHSDS-RBUKOAKNSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](CC)c1ccc(F)cc1 ZINC001707054543 1417168695 /nfs/dbraw/zinc/16/86/95/1417168695.db2.gz QQHHOZVYRDHSDS-RBUKOAKNSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](CC)c1ccc(F)cc1 ZINC001707054543 1417168698 /nfs/dbraw/zinc/16/86/98/1417168698.db2.gz QQHHOZVYRDHSDS-RBUKOAKNSA-N 2 1 349.494 3.151 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001713060610 1417616546 /nfs/dbraw/zinc/61/65/46/1417616546.db2.gz GSOGKVIAUJGVER-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001713060610 1417616574 /nfs/dbraw/zinc/61/65/74/1417616574.db2.gz GSOGKVIAUJGVER-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001713060610 1417616583 /nfs/dbraw/zinc/61/65/83/1417616583.db2.gz GSOGKVIAUJGVER-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001713222125 1417806950 /nfs/dbraw/zinc/80/69/50/1417806950.db2.gz XCELZBSPTWVYMO-RBUKOAKNSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001713222125 1417806959 /nfs/dbraw/zinc/80/69/59/1417806959.db2.gz XCELZBSPTWVYMO-RBUKOAKNSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001713222125 1417806961 /nfs/dbraw/zinc/80/69/61/1417806961.db2.gz XCELZBSPTWVYMO-RBUKOAKNSA-N 2 1 345.531 3.308 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CCC([NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001713291748 1417919330 /nfs/dbraw/zinc/91/93/30/1417919330.db2.gz XQMPWIHRABCJBP-UHFFFAOYSA-N 2 1 345.531 3.162 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001713361851 1417976213 /nfs/dbraw/zinc/97/62/13/1417976213.db2.gz MIFXPZNBXYNCSG-IBGZPJMESA-N 2 1 337.552 3.127 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713506171 1418228694 /nfs/dbraw/zinc/22/86/94/1418228694.db2.gz PQTIOCYWRGKSBD-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001713974057 1418753305 /nfs/dbraw/zinc/75/33/05/1418753305.db2.gz YWDLHKNFVMEYQP-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001713974057 1418753306 /nfs/dbraw/zinc/75/33/06/1418753306.db2.gz YWDLHKNFVMEYQP-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001713974057 1418753307 /nfs/dbraw/zinc/75/33/07/1418753307.db2.gz YWDLHKNFVMEYQP-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001714050516 1418849381 /nfs/dbraw/zinc/84/93/81/1418849381.db2.gz YVWSMLBLZCEBBQ-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC001714050516 1418849385 /nfs/dbraw/zinc/84/93/85/1418849385.db2.gz YVWSMLBLZCEBBQ-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001714050516 1418849389 /nfs/dbraw/zinc/84/93/89/1418849389.db2.gz YVWSMLBLZCEBBQ-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001714443294 1419175378 /nfs/dbraw/zinc/17/53/78/1419175378.db2.gz YXCDOESMBJVRMH-GOSISDBHSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2ccc(C)cc2)C1 ZINC001714455497 1419187953 /nfs/dbraw/zinc/18/79/53/1419187953.db2.gz XEEMWSJHIRUUDH-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C)cc2)C1 ZINC001714455497 1419187958 /nfs/dbraw/zinc/18/79/58/1419187958.db2.gz XEEMWSJHIRUUDH-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C)cc2)C1 ZINC001714455497 1419187960 /nfs/dbraw/zinc/18/79/60/1419187960.db2.gz XEEMWSJHIRUUDH-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCC1([NH2+]CC2CCC2)CCCC1)c1ccccc1 ZINC001714513622 1419240675 /nfs/dbraw/zinc/24/06/75/1419240675.db2.gz ICUKSWHQZWWQIM-IBGZPJMESA-N 2 1 343.515 3.108 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)[C@@H](C)c1ccccc1 ZINC001714584175 1419325344 /nfs/dbraw/zinc/32/53/44/1419325344.db2.gz PRUKWOOLULNGTJ-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC)[C@@H](C)c1ccccc1 ZINC001714584175 1419325346 /nfs/dbraw/zinc/32/53/46/1419325346.db2.gz PRUKWOOLULNGTJ-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC)[C@@H](C)c1ccccc1 ZINC001714584175 1419325350 /nfs/dbraw/zinc/32/53/50/1419325350.db2.gz PRUKWOOLULNGTJ-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH]cn1)[C@@H](C)c1ccccc1C ZINC001714593035 1419341507 /nfs/dbraw/zinc/34/15/07/1419341507.db2.gz CYBKVFFCQKAMKI-IRXDYDNUSA-N 2 1 342.487 3.096 20 0 EGADMP CC[N@H+](CCNC(=O)[C@@H](C)Cc1cnc[nH]1)[C@@H](C)c1ccccc1C ZINC001714593035 1419341508 /nfs/dbraw/zinc/34/15/08/1419341508.db2.gz CYBKVFFCQKAMKI-IRXDYDNUSA-N 2 1 342.487 3.096 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H](C)Cc1cnc[nH]1)[C@@H](C)c1ccccc1C ZINC001714593035 1419341510 /nfs/dbraw/zinc/34/15/10/1419341510.db2.gz CYBKVFFCQKAMKI-IRXDYDNUSA-N 2 1 342.487 3.096 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001714646716 1419422377 /nfs/dbraw/zinc/42/23/77/1419422377.db2.gz LZWHWYAZOIKYKO-ICSRJNTNSA-N 2 1 345.531 3.088 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)CC[NH2+][C@H](C)c1ccccc1C ZINC001714772912 1419501706 /nfs/dbraw/zinc/50/17/06/1419501706.db2.gz WGVZRKJQAAYEBS-QGZVFWFLSA-N 2 1 342.487 3.089 20 0 EGADMP CC[N@H+](C)CCC(=O)NC1C[NH+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC001714951004 1419691979 /nfs/dbraw/zinc/69/19/79/1419691979.db2.gz RUIWIKJRLDIBIZ-MRXNPFEDSA-N 2 1 339.483 3.043 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1C[NH+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC001714951004 1419691980 /nfs/dbraw/zinc/69/19/80/1419691980.db2.gz RUIWIKJRLDIBIZ-MRXNPFEDSA-N 2 1 339.483 3.043 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+](C)C(C)C)CC1 ZINC001715481708 1420160291 /nfs/dbraw/zinc/16/02/91/1420160291.db2.gz QANANBVKFSWMIK-LJQANCHMSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC(CC[N@H+](C)C(C)C)CC1 ZINC001715481708 1420160296 /nfs/dbraw/zinc/16/02/96/1420160296.db2.gz QANANBVKFSWMIK-LJQANCHMSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC(CC[N@@H+](C)C(C)C)CC1 ZINC001715481708 1420160297 /nfs/dbraw/zinc/16/02/97/1420160297.db2.gz QANANBVKFSWMIK-LJQANCHMSA-N 2 1 337.552 3.076 20 0 EGADMP C[N@@H+](CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1)CC1CCCCC1 ZINC001715499077 1420181171 /nfs/dbraw/zinc/18/11/71/1420181171.db2.gz QFIBRSRMNQVHMX-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)CC1CCCCC1 ZINC001715499077 1420181173 /nfs/dbraw/zinc/18/11/73/1420181173.db2.gz QFIBRSRMNQVHMX-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)CC1CCCCC1 ZINC001715499077 1420181175 /nfs/dbraw/zinc/18/11/75/1420181175.db2.gz QFIBRSRMNQVHMX-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H](CC[NH2+][C@H]1CCCc2ccccc21)NC(=O)C[N@@H+](C)C1CCC1 ZINC001715655794 1420280533 /nfs/dbraw/zinc/28/05/33/1420280533.db2.gz OLBFPVVPLRFFPB-JXFKEZNVSA-N 2 1 343.515 3.033 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC1CC1)C1CCCCCC1 ZINC001733275340 1429438170 /nfs/dbraw/zinc/43/81/70/1429438170.db2.gz GJFXLAVSIWTUEU-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC1CC1)C1CCCCCC1 ZINC001733275340 1429438172 /nfs/dbraw/zinc/43/81/72/1429438172.db2.gz GJFXLAVSIWTUEU-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC1CC1)C1CCCCCC1 ZINC001733275340 1429438176 /nfs/dbraw/zinc/43/81/76/1429438176.db2.gz GJFXLAVSIWTUEU-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C[C@@H]1C ZINC001716767280 1420912572 /nfs/dbraw/zinc/91/25/72/1420912572.db2.gz JUCWBDFLTUHMQG-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001716767282 1420912665 /nfs/dbraw/zinc/91/26/65/1420912665.db2.gz JUCWBDFLTUHMQG-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001716843509 1420970094 /nfs/dbraw/zinc/97/00/94/1420970094.db2.gz OBTHXPWZMIUMOE-UTKZUKDTSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001716843509 1420970097 /nfs/dbraw/zinc/97/00/97/1420970097.db2.gz OBTHXPWZMIUMOE-UTKZUKDTSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001716843509 1420970099 /nfs/dbraw/zinc/97/00/99/1420970099.db2.gz OBTHXPWZMIUMOE-UTKZUKDTSA-N 2 1 343.515 3.121 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@]2(C)CC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001716849159 1420978153 /nfs/dbraw/zinc/97/81/53/1420978153.db2.gz RUENXVZZZPCQEI-NRFANRHFSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH+](C)CC1CCCCC1 ZINC001717206880 1421177730 /nfs/dbraw/zinc/17/77/30/1421177730.db2.gz SROSEGGHFMBGEX-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CCC[N@H+](C)CC1CCCCC1 ZINC001717206880 1421177731 /nfs/dbraw/zinc/17/77/31/1421177731.db2.gz SROSEGGHFMBGEX-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)CC1CCCCC1 ZINC001717206880 1421177733 /nfs/dbraw/zinc/17/77/33/1421177733.db2.gz SROSEGGHFMBGEX-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCCC(C)(C)C)CC1(C)C ZINC001717311720 1421256238 /nfs/dbraw/zinc/25/62/38/1421256238.db2.gz GJUPJXIEFSWUOO-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)CC1(C)C ZINC001717311720 1421256241 /nfs/dbraw/zinc/25/62/41/1421256241.db2.gz GJUPJXIEFSWUOO-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCCC(C)(C)C)CC1(C)C ZINC001717311720 1421256245 /nfs/dbraw/zinc/25/62/45/1421256245.db2.gz GJUPJXIEFSWUOO-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@H+]1CCC1CC1 ZINC001717333640 1421269849 /nfs/dbraw/zinc/26/98/49/1421269849.db2.gz KDBIVZJULCTXIZ-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[NH+]1CCC1CC1 ZINC001717333640 1421269851 /nfs/dbraw/zinc/26/98/51/1421269851.db2.gz KDBIVZJULCTXIZ-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[NH+]1CCC1CC1 ZINC001717333640 1421269852 /nfs/dbraw/zinc/26/98/52/1421269852.db2.gz KDBIVZJULCTXIZ-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001717338282 1421275798 /nfs/dbraw/zinc/27/57/98/1421275798.db2.gz SFVSVFFJNRDDTR-VQIMIIECSA-N 2 1 348.535 3.377 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001717338282 1421275800 /nfs/dbraw/zinc/27/58/00/1421275800.db2.gz SFVSVFFJNRDDTR-VQIMIIECSA-N 2 1 348.535 3.377 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001717341010 1421278794 /nfs/dbraw/zinc/27/87/94/1421278794.db2.gz ARXPUFGEKDQNTL-ICSRJNTNSA-N 2 1 345.531 3.162 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001717479148 1421413489 /nfs/dbraw/zinc/41/34/89/1421413489.db2.gz IJZCXKUXIABXRG-QZTJIDSGSA-N 2 1 343.515 3.121 20 0 EGADMP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001717540503 1421480742 /nfs/dbraw/zinc/48/07/42/1421480742.db2.gz PHMYVBAMNSYJPR-KRWDZBQOSA-N 2 1 334.508 3.167 20 0 EGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001717540503 1421480744 /nfs/dbraw/zinc/48/07/44/1421480744.db2.gz PHMYVBAMNSYJPR-KRWDZBQOSA-N 2 1 334.508 3.167 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C(C)C)C[C@@H]1C ZINC001717828993 1421642225 /nfs/dbraw/zinc/64/22/25/1421642225.db2.gz ZMBKNEHFJOMFAT-HKUYNNGSSA-N 2 1 345.531 3.231 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+](C)C3CCC3)[C@@H]2C)cs1 ZINC001717852719 1421664637 /nfs/dbraw/zinc/66/46/37/1421664637.db2.gz DTUTWBGCNCPGLM-YJBOKZPZSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H]2C)cs1 ZINC001717852719 1421664638 /nfs/dbraw/zinc/66/46/38/1421664638.db2.gz DTUTWBGCNCPGLM-YJBOKZPZSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H]2C)cs1 ZINC001717852719 1421664639 /nfs/dbraw/zinc/66/46/39/1421664639.db2.gz DTUTWBGCNCPGLM-YJBOKZPZSA-N 2 1 349.544 3.010 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2CC)[C@@H]1C ZINC001717860197 1421672471 /nfs/dbraw/zinc/67/24/71/1421672471.db2.gz IERBHYXZMHHZMS-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2CC)[C@@H]1C ZINC001717860197 1421672472 /nfs/dbraw/zinc/67/24/72/1421672472.db2.gz IERBHYXZMHHZMS-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2CC)[C@@H]1C ZINC001717860197 1421672473 /nfs/dbraw/zinc/67/24/73/1421672473.db2.gz IERBHYXZMHHZMS-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1 ZINC001733353056 1429533512 /nfs/dbraw/zinc/53/35/12/1429533512.db2.gz YTLWESGUASWXIV-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@@]1(NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+](CCCC2CCC2)C1 ZINC001733414185 1429617499 /nfs/dbraw/zinc/61/74/99/1429617499.db2.gz TURWNQNMFPQUNX-OAQYLSRUSA-N 2 1 349.563 3.413 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001733463076 1429692157 /nfs/dbraw/zinc/69/21/57/1429692157.db2.gz PTPIBTKTPGONPR-AZUAARDMSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001733463076 1429692160 /nfs/dbraw/zinc/69/21/60/1429692160.db2.gz PTPIBTKTPGONPR-AZUAARDMSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001733463076 1429692163 /nfs/dbraw/zinc/69/21/63/1429692163.db2.gz PTPIBTKTPGONPR-AZUAARDMSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@@H+](CC)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001725026250 1425446359 /nfs/dbraw/zinc/44/63/59/1425446359.db2.gz KNRVYYDUEGQGCK-UHFFFAOYSA-N 2 1 339.568 3.325 20 0 EGADMP CCCC[NH+](CC)CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001725026250 1425446362 /nfs/dbraw/zinc/44/63/62/1425446362.db2.gz KNRVYYDUEGQGCK-UHFFFAOYSA-N 2 1 339.568 3.325 20 0 EGADMP CCCC[NH+](CC)CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001725026250 1425446371 /nfs/dbraw/zinc/44/63/71/1425446371.db2.gz KNRVYYDUEGQGCK-UHFFFAOYSA-N 2 1 339.568 3.325 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001725030927 1425450456 /nfs/dbraw/zinc/45/04/56/1425450456.db2.gz NXMSSBNPBYHDGJ-OJBOGMDESA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH2+]C1(CNC(=O)C(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001725772020 1426456114 /nfs/dbraw/zinc/45/61/14/1426456114.db2.gz UMTHRLKFSWYUHR-UHFFFAOYSA-N 2 1 345.531 3.183 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccc(C)c(C)c1 ZINC001731866873 1428115339 /nfs/dbraw/zinc/11/53/39/1428115339.db2.gz OKKXNSLKZJZGGV-UHFFFAOYSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCN(C)C(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001731918960 1428170083 /nfs/dbraw/zinc/17/00/83/1428170083.db2.gz GSUCKDMVBMGXFF-KRWDZBQOSA-N 2 1 345.531 3.403 20 0 EGADMP CC(C)c1ccccc1C[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001733781015 1430043619 /nfs/dbraw/zinc/04/36/19/1430043619.db2.gz ZDTZWBUKUHXFTQ-IBGZPJMESA-N 2 1 345.531 3.042 20 0 EGADMP CC(C)c1ccccc1C[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001733781015 1430043628 /nfs/dbraw/zinc/04/36/28/1430043628.db2.gz ZDTZWBUKUHXFTQ-IBGZPJMESA-N 2 1 345.531 3.042 20 0 EGADMP CC(C)c1ccccc1C[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001733781015 1430043634 /nfs/dbraw/zinc/04/36/34/1430043634.db2.gz ZDTZWBUKUHXFTQ-IBGZPJMESA-N 2 1 345.531 3.042 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CCC2CCCC2)CC1(C)C)C1CCC1 ZINC001733875048 1437701035 /nfs/dbraw/zinc/70/10/35/1437701035.db2.gz IQDOYSWCXRPMSB-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)CC1(C)C)C1CCC1 ZINC001733875048 1437701037 /nfs/dbraw/zinc/70/10/37/1437701037.db2.gz IQDOYSWCXRPMSB-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)CC1(C)C)C1CCC1 ZINC001733875048 1437701038 /nfs/dbraw/zinc/70/10/38/1437701038.db2.gz IQDOYSWCXRPMSB-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2CCC[NH+](CC3CCC3)C2)CC1 ZINC001733941345 1437757618 /nfs/dbraw/zinc/75/76/18/1437757618.db2.gz IPTJQEIITNMBRE-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@H+](CC3CCC3)C2)CC1 ZINC001733941345 1437757621 /nfs/dbraw/zinc/75/76/21/1437757621.db2.gz IPTJQEIITNMBRE-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC001733941345 1437757624 /nfs/dbraw/zinc/75/76/24/1437757624.db2.gz IPTJQEIITNMBRE-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC001734199365 1437940976 /nfs/dbraw/zinc/94/09/76/1437940976.db2.gz WHPHEAZCXAVNHB-YSIASYRMSA-N 2 1 337.552 3.077 20 0 EGADMP CCc1cccc(C[N@@H+](C)C2CCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001734271067 1438000819 /nfs/dbraw/zinc/00/08/19/1438000819.db2.gz ASRMZQXFHHUXCC-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP Cc1c(C(=O)NCCC[N@H+](C)CCC2CCCC2)ccc2c[nH+]cn21 ZINC001752007637 1440132308 /nfs/dbraw/zinc/13/23/08/1440132308.db2.gz GSIUGAPXJHXIGM-UHFFFAOYSA-N 2 1 342.487 3.275 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001752302799 1440168137 /nfs/dbraw/zinc/16/81/37/1440168137.db2.gz JYWQOLITMPEBTD-PKOBYXMFSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001752629440 1440197003 /nfs/dbraw/zinc/19/70/03/1440197003.db2.gz YCWCAAYNWVASTA-GUDVDZBRSA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C1)c1ccccc1 ZINC001752683574 1440199788 /nfs/dbraw/zinc/19/97/88/1440199788.db2.gz ZEWBJGBVZXNPNT-FHWLQOOXSA-N 2 1 345.531 3.352 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001752800012 1440214880 /nfs/dbraw/zinc/21/48/80/1440214880.db2.gz OPZJOTHKVXWLQM-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001752820452 1440220253 /nfs/dbraw/zinc/22/02/53/1440220253.db2.gz MSKVGSUMZGSYTE-HWYAZIHESA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001752820452 1440220254 /nfs/dbraw/zinc/22/02/54/1440220254.db2.gz MSKVGSUMZGSYTE-HWYAZIHESA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001752820452 1440220255 /nfs/dbraw/zinc/22/02/55/1440220255.db2.gz MSKVGSUMZGSYTE-HWYAZIHESA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001752825236 1440223203 /nfs/dbraw/zinc/22/32/03/1440223203.db2.gz NWLNGLMLCNUBEG-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)(C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCC1)[NH+]1CCCC1 ZINC001752828479 1440224649 /nfs/dbraw/zinc/22/46/49/1440224649.db2.gz YOIUHYUOQDOUHD-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001752831130 1440225331 /nfs/dbraw/zinc/22/53/31/1440225331.db2.gz AQHIYGTZVCNZSD-OALUTQOASA-N 2 1 337.552 3.364 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001752842009 1440231101 /nfs/dbraw/zinc/23/11/01/1440231101.db2.gz UGXLLOCVWOMJGX-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001752949482 1440251848 /nfs/dbraw/zinc/25/18/48/1440251848.db2.gz LXHZBLLKMVVMLY-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001752979525 1440256765 /nfs/dbraw/zinc/25/67/65/1440256765.db2.gz BUQYROGHUNNQTD-MSOLQXFVSA-N 2 1 337.552 3.172 20 0 EGADMP C[N@@H+](CCCC1CCCC1)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001752997714 1440262905 /nfs/dbraw/zinc/26/29/05/1440262905.db2.gz SLSLGHOJQYNDLX-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001752997714 1440262906 /nfs/dbraw/zinc/26/29/06/1440262906.db2.gz SLSLGHOJQYNDLX-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001752997714 1440262907 /nfs/dbraw/zinc/26/29/07/1440262907.db2.gz SLSLGHOJQYNDLX-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001752998856 1440263447 /nfs/dbraw/zinc/26/34/47/1440263447.db2.gz OAMULJFIKKZESL-MOPGFXCFSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001752998856 1440263448 /nfs/dbraw/zinc/26/34/48/1440263448.db2.gz OAMULJFIKKZESL-MOPGFXCFSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001752998856 1440263449 /nfs/dbraw/zinc/26/34/49/1440263449.db2.gz OAMULJFIKKZESL-MOPGFXCFSA-N 2 1 335.536 3.138 20 0 EGADMP CC[C@H](C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001753000380 1440264456 /nfs/dbraw/zinc/26/44/56/1440264456.db2.gz RXXDWDRWJQQBOX-FXAWDEMLSA-N 2 1 345.531 3.331 20 0 EGADMP C[NH+](CCC(=O)NCC[N@H+](C)CC1=CCCCC1)C1CCCCC1 ZINC001753057977 1440282228 /nfs/dbraw/zinc/28/22/28/1440282228.db2.gz IWDUMXOOWJWUOQ-UHFFFAOYSA-N 2 1 335.536 3.189 20 0 EGADMP C[NH+](CCNC(=O)CC[N@H+](C)C1CCCCC1)CC1=CCCCC1 ZINC001753057977 1440282229 /nfs/dbraw/zinc/28/22/29/1440282229.db2.gz IWDUMXOOWJWUOQ-UHFFFAOYSA-N 2 1 335.536 3.189 20 0 EGADMP C[NH+](CCNC(=O)CC[N@@H+](C)C1CCCCC1)CC1=CCCCC1 ZINC001753057977 1440282230 /nfs/dbraw/zinc/28/22/30/1440282230.db2.gz IWDUMXOOWJWUOQ-UHFFFAOYSA-N 2 1 335.536 3.189 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001753068354 1440286688 /nfs/dbraw/zinc/28/66/88/1440286688.db2.gz BHRJNMDUKMAOIH-IBGZPJMESA-N 2 1 349.494 3.057 20 0 EGADMP C[N@@H+](CCC(=O)NC[C@@H]1CCC[NH+]1CC1CCCC1)C1CCCCC1 ZINC001753107358 1440306890 /nfs/dbraw/zinc/30/68/90/1440306890.db2.gz DMDVXDQFMROPRA-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1)C1CCCCC1 ZINC001753107358 1440306891 /nfs/dbraw/zinc/30/68/91/1440306891.db2.gz DMDVXDQFMROPRA-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1)C1CCCCC1 ZINC001753107358 1440306892 /nfs/dbraw/zinc/30/68/92/1440306892.db2.gz DMDVXDQFMROPRA-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CCC1)c1ccccc1 ZINC001753298527 1440353324 /nfs/dbraw/zinc/35/33/24/1440353324.db2.gz JDZCWXPJNKJAFJ-VQTJNVASSA-N 2 1 343.515 3.106 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001753325632 1440366413 /nfs/dbraw/zinc/36/64/13/1440366413.db2.gz YJGQPGBAZUEQNZ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001753325632 1440366414 /nfs/dbraw/zinc/36/64/14/1440366414.db2.gz YJGQPGBAZUEQNZ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001753325632 1440366415 /nfs/dbraw/zinc/36/64/15/1440366415.db2.gz YJGQPGBAZUEQNZ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001753350451 1440377756 /nfs/dbraw/zinc/37/77/56/1440377756.db2.gz JQWHLPCVJMBCAK-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)C1(C(=O)N2CC[C@H](C[N@@H+](C)CCC3=CCCCC3)C2)CCC1 ZINC001753350906 1440377918 /nfs/dbraw/zinc/37/79/18/1440377918.db2.gz AMGBSWRNTNECJF-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@H](CC)c2ccccc2)C1 ZINC001753358165 1440381224 /nfs/dbraw/zinc/38/12/24/1440381224.db2.gz KKOCJQOKJVQETN-UYAOXDASSA-N 2 1 345.531 3.260 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)[C@H](CC)c2ccccc2)C1 ZINC001753358165 1440381225 /nfs/dbraw/zinc/38/12/25/1440381225.db2.gz KKOCJQOKJVQETN-UYAOXDASSA-N 2 1 345.531 3.260 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](CC)c2ccccc2)C1 ZINC001753358165 1440381226 /nfs/dbraw/zinc/38/12/26/1440381226.db2.gz KKOCJQOKJVQETN-UYAOXDASSA-N 2 1 345.531 3.260 20 0 EGADMP CC/C=C/CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001753359874 1440381985 /nfs/dbraw/zinc/38/19/85/1440381985.db2.gz MVNCQUVYYUWCIK-ZBWOGFRMSA-N 2 1 349.563 3.243 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1CCC[N@H+]([C@H](CC)c2ccc(F)cc2)C1)[NH+](C)C ZINC001753368453 1440386854 /nfs/dbraw/zinc/38/68/54/1440386854.db2.gz WOCKXFZPJOBODU-GUDVDZBRSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)CCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001753384860 1440388272 /nfs/dbraw/zinc/38/82/72/1440388272.db2.gz BPJGGKAANBJAFJ-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001753384860 1440388273 /nfs/dbraw/zinc/38/82/73/1440388273.db2.gz BPJGGKAANBJAFJ-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001753403745 1440391598 /nfs/dbraw/zinc/39/15/98/1440391598.db2.gz HNFIOWCOMDOYLX-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001753426023 1440396863 /nfs/dbraw/zinc/39/68/63/1440396863.db2.gz JTHPYNJKMSENAI-SLFFLAALSA-N 2 1 343.515 3.155 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001753426023 1440396864 /nfs/dbraw/zinc/39/68/64/1440396864.db2.gz JTHPYNJKMSENAI-SLFFLAALSA-N 2 1 343.515 3.155 20 0 EGADMP CCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001753426023 1440396865 /nfs/dbraw/zinc/39/68/65/1440396865.db2.gz JTHPYNJKMSENAI-SLFFLAALSA-N 2 1 343.515 3.155 20 0 EGADMP CCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001753426023 1440396866 /nfs/dbraw/zinc/39/68/66/1440396866.db2.gz JTHPYNJKMSENAI-SLFFLAALSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C[NH2+]CC1CC(C)(C)C1 ZINC001753617975 1440450051 /nfs/dbraw/zinc/45/00/51/1440450051.db2.gz CADSLWIOSWYDSF-VQIMIIECSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2F)CCCC1 ZINC001753670622 1440461922 /nfs/dbraw/zinc/46/19/22/1440461922.db2.gz CIIUDKORDADIBB-INIZCTEOSA-N 2 1 349.494 3.247 20 0 EGADMP CC(C)C[C@H](C[NH2+][C@H]1CCc2ccccc21)NC(=O)C[N@@H+](C)C(C)C ZINC001753743928 1440480202 /nfs/dbraw/zinc/48/02/02/1440480202.db2.gz XMLWJSUJUUJXCO-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCCC1 ZINC001753777773 1440486737 /nfs/dbraw/zinc/48/67/37/1440486737.db2.gz VMMKOJNZEVAHDN-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CC[NH2+]CC2=CCCCC2)C1 ZINC001753798260 1440490239 /nfs/dbraw/zinc/49/02/39/1440490239.db2.gz WJYAJVXIOWDEGO-QUCCMNQESA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001753800094 1440490687 /nfs/dbraw/zinc/49/06/87/1440490687.db2.gz VHJJXFSJPYYSEC-MSOLQXFVSA-N 2 1 348.535 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC2=CCCCC2)C1 ZINC001753800083 1440490710 /nfs/dbraw/zinc/49/07/10/1440490710.db2.gz VBXOBWWEMCEBMY-IEBWSBKVSA-N 2 1 335.536 3.045 20 0 EGADMP CN(CC[N@@H+](C)C/C=C/c1ccccc1)C(=O)C[NH+](C)CC(C)(C)C ZINC001753863335 1440512758 /nfs/dbraw/zinc/51/27/58/1440512758.db2.gz UCYBWBLRSDMPRX-JLHYYAGUSA-N 2 1 345.531 3.068 20 0 EGADMP CN(CC[NH+](C)C/C=C/c1ccccc1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001753863335 1440512759 /nfs/dbraw/zinc/51/27/59/1440512759.db2.gz UCYBWBLRSDMPRX-JLHYYAGUSA-N 2 1 345.531 3.068 20 0 EGADMP CN(CC[NH+](C)C/C=C/c1ccccc1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001753863335 1440512760 /nfs/dbraw/zinc/51/27/60/1440512760.db2.gz UCYBWBLRSDMPRX-JLHYYAGUSA-N 2 1 345.531 3.068 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC/C=C\C[NH2+][C@H](C)c1ccccc1 ZINC001754178551 1440547865 /nfs/dbraw/zinc/54/78/65/1440547865.db2.gz QERMDKXIGOXIJO-ZPUOCTKUSA-N 2 1 340.471 3.030 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1C ZINC001754354178 1440591361 /nfs/dbraw/zinc/59/13/61/1440591361.db2.gz QZSUKYYCGVWCLF-WOJBJXKFSA-N 2 1 345.531 3.101 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001754374063 1440592846 /nfs/dbraw/zinc/59/28/46/1440592846.db2.gz VQSKFPNPFLCZBD-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@@H](C)c1ccc(C(C)C)cc1 ZINC001754500672 1440614189 /nfs/dbraw/zinc/61/41/89/1440614189.db2.gz QLFRXGPNSLKBQA-PXNSSMCTSA-N 2 1 345.531 3.403 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)c1ccc(C(C)C)cc1 ZINC001754500672 1440614190 /nfs/dbraw/zinc/61/41/90/1440614190.db2.gz QLFRXGPNSLKBQA-PXNSSMCTSA-N 2 1 345.531 3.403 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)c1ccc(C(C)C)cc1 ZINC001754500672 1440614191 /nfs/dbraw/zinc/61/41/91/1440614191.db2.gz QLFRXGPNSLKBQA-PXNSSMCTSA-N 2 1 345.531 3.403 20 0 EGADMP CC(C)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001754545780 1440627324 /nfs/dbraw/zinc/62/73/24/1440627324.db2.gz CZVZMOKYIMCPFJ-YQQQUEKLSA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H](C)C[N@@H+](CC1CC1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001754548046 1440628530 /nfs/dbraw/zinc/62/85/30/1440628530.db2.gz BGCFVOABIHWCRW-QGZVFWFLSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C)C[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001754549709 1440629516 /nfs/dbraw/zinc/62/95/16/1440629516.db2.gz QHYMUPVMORDZPR-QGZVFWFLSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H](C)C[NH+](CC1CC1)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001754549709 1440629517 /nfs/dbraw/zinc/62/95/17/1440629517.db2.gz QHYMUPVMORDZPR-QGZVFWFLSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H](C)C[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001754549709 1440629518 /nfs/dbraw/zinc/62/95/18/1440629518.db2.gz QHYMUPVMORDZPR-QGZVFWFLSA-N 2 1 337.552 3.076 20 0 EGADMP CCCCCC[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001754557624 1440632340 /nfs/dbraw/zinc/63/23/40/1440632340.db2.gz LENKGOPYBOSDKS-FQEVSTJZSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCCC[NH+]1CCC[C@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001754557624 1440632341 /nfs/dbraw/zinc/63/23/41/1440632341.db2.gz LENKGOPYBOSDKS-FQEVSTJZSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCCC[NH+]1CCC[C@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001754557624 1440632342 /nfs/dbraw/zinc/63/23/42/1440632342.db2.gz LENKGOPYBOSDKS-FQEVSTJZSA-N 2 1 337.552 3.223 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001754558125 1440632485 /nfs/dbraw/zinc/63/24/85/1440632485.db2.gz XYNJFQOUGCOFRD-FQEVSTJZSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@]2(C1)CCC[NH+](C(C)C)C2 ZINC001754558493 1440632836 /nfs/dbraw/zinc/63/28/36/1440632836.db2.gz UGONNYBDNIUDNU-FQEVSTJZSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C(C)C)C2 ZINC001754558493 1440632837 /nfs/dbraw/zinc/63/28/37/1440632837.db2.gz UGONNYBDNIUDNU-FQEVSTJZSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001754558493 1440632838 /nfs/dbraw/zinc/63/28/38/1440632838.db2.gz UGONNYBDNIUDNU-FQEVSTJZSA-N 2 1 337.552 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C[C@@H]1C ZINC001754601956 1440642600 /nfs/dbraw/zinc/64/26/00/1440642600.db2.gz WWHIIGKZJVGZFE-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)=CC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001754629828 1440647492 /nfs/dbraw/zinc/64/74/92/1440647492.db2.gz NESGCKMJSWSSPQ-UHFFFAOYSA-N 2 1 343.515 3.055 20 0 EGADMP CC(C)=CC[NH+]1CCC(C)(NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001754629828 1440647493 /nfs/dbraw/zinc/64/74/93/1440647493.db2.gz NESGCKMJSWSSPQ-UHFFFAOYSA-N 2 1 343.515 3.055 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001754674739 1440659454 /nfs/dbraw/zinc/65/94/54/1440659454.db2.gz BFBQVMXFWRXJHA-AQIYZVDXSA-N 2 1 335.536 3.188 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001754674739 1440659455 /nfs/dbraw/zinc/65/94/55/1440659455.db2.gz BFBQVMXFWRXJHA-AQIYZVDXSA-N 2 1 335.536 3.188 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001754674739 1440659456 /nfs/dbraw/zinc/65/94/56/1440659456.db2.gz BFBQVMXFWRXJHA-AQIYZVDXSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@]1(C)CC[N@H+](CC2=CCCCC2)C1 ZINC001754681087 1440662342 /nfs/dbraw/zinc/66/23/42/1440662342.db2.gz ZZFOANXCZUHTHK-FQEVSTJZSA-N 2 1 344.503 3.088 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@]1(C)CC[N@@H+](CC2=CCCCC2)C1 ZINC001754681087 1440662343 /nfs/dbraw/zinc/66/23/43/1440662343.db2.gz ZZFOANXCZUHTHK-FQEVSTJZSA-N 2 1 344.503 3.088 20 0 EGADMP C[C@]1(NC(=O)CCC[NH+]2CCCC2)CC[N@@H+](CC2CCCCC2)C1 ZINC001754682443 1440663126 /nfs/dbraw/zinc/66/31/26/1440663126.db2.gz LUBPWUAGYWMIJQ-FQEVSTJZSA-N 2 1 335.536 3.023 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@]1(C)CC[N@H+](CC2CCCCC2)C1 ZINC001754682700 1440663465 /nfs/dbraw/zinc/66/34/65/1440663465.db2.gz PPTFEIHMGVNDSE-HXUWFJFHSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@]1(C)CC[N@@H+](CC2CCCCC2)C1 ZINC001754682700 1440663466 /nfs/dbraw/zinc/66/34/66/1440663466.db2.gz PPTFEIHMGVNDSE-HXUWFJFHSA-N 2 1 346.519 3.133 20 0 EGADMP C[NH+](C)CCCCC(=O)NC[C@@]1(C)CCC[N@@H+](CCC(C)(C)C)C1 ZINC001754734483 1440681587 /nfs/dbraw/zinc/68/15/87/1440681587.db2.gz WJAPIOJWFUJUJJ-HXUWFJFHSA-N 2 1 339.568 3.373 20 0 EGADMP CCc1ccccc1[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]C(C)C ZINC001754789263 1440688344 /nfs/dbraw/zinc/68/83/44/1440688344.db2.gz KLCHFOKWBQIYET-LJQANCHMSA-N 2 1 347.547 3.382 20 0 EGADMP CC(C)(C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)[NH+]1CCCC1 ZINC001754831744 1440695503 /nfs/dbraw/zinc/69/55/03/1440695503.db2.gz NGRQIXXYHHTYFX-REPLKXPHSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](CC[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001754940341 1440711723 /nfs/dbraw/zinc/71/17/23/1440711723.db2.gz NKGOYTZLWCZBFV-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCCCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001754951193 1440715043 /nfs/dbraw/zinc/71/50/43/1440715043.db2.gz LQKWQXPIHIBRCS-LPHOPBHVSA-N 2 1 331.504 3.095 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001755024784 1440728101 /nfs/dbraw/zinc/72/81/01/1440728101.db2.gz IPXGPZMYTNUCSJ-HKVOBHHDSA-N 2 1 337.552 3.290 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001755027762 1440729796 /nfs/dbraw/zinc/72/97/96/1440729796.db2.gz GRBTYOXAAVTXOG-MOPGFXCFSA-N 2 1 345.531 3.369 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001755034766 1440733478 /nfs/dbraw/zinc/73/34/78/1440733478.db2.gz YNIXMTHURIZCGV-FQEVSTJZSA-N 2 1 349.563 3.413 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)CCC[N@H+](C)CCC2CCCCC2)C1 ZINC001755042684 1440738470 /nfs/dbraw/zinc/73/84/70/1440738470.db2.gz CYNXXUJPJGNYCG-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)CCC[N@@H+](C)CCC2CCCCC2)C1 ZINC001755042684 1440738471 /nfs/dbraw/zinc/73/84/71/1440738471.db2.gz CYNXXUJPJGNYCG-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001755045225 1440740402 /nfs/dbraw/zinc/74/04/02/1440740402.db2.gz NJMKCHJJGVQDMW-IBGZPJMESA-N 2 1 349.494 3.153 20 0 EGADMP CC(C)[C@@H](C(=O)N(C)CCC[N@@H+](C)CCC(C)(C)C)[NH+]1CCCC1 ZINC001755047695 1440742041 /nfs/dbraw/zinc/74/20/41/1440742041.db2.gz OYSKOUMWVBYFQU-SFHVURJKSA-N 2 1 339.568 3.323 20 0 EGADMP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001755072572 1440747093 /nfs/dbraw/zinc/74/70/93/1440747093.db2.gz LNXUAXARSOMTJX-DKFQHHCZSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1CC1CC(C)(C)C1 ZINC001755165638 1440766925 /nfs/dbraw/zinc/76/69/25/1440766925.db2.gz PEYZLAQLCACXDN-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)[C@H](C)C1 ZINC001755165647 1440766971 /nfs/dbraw/zinc/76/69/71/1440766971.db2.gz PGSPHODWKZWEQG-IEBWSBKVSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)[C@H](C)C1 ZINC001755165647 1440766972 /nfs/dbraw/zinc/76/69/72/1440766972.db2.gz PGSPHODWKZWEQG-IEBWSBKVSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)[C@H](C)C1 ZINC001755165647 1440766973 /nfs/dbraw/zinc/76/69/73/1440766973.db2.gz PGSPHODWKZWEQG-IEBWSBKVSA-N 2 1 349.563 3.266 20 0 EGADMP CC[N@@H+](CC=C(C)C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001755181961 1440771167 /nfs/dbraw/zinc/77/11/67/1440771167.db2.gz FEVNSYLRYQARIC-FQEVSTJZSA-N 2 1 349.563 3.386 20 0 EGADMP CC[NH+](CC=C(C)C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001755181961 1440771168 /nfs/dbraw/zinc/77/11/68/1440771168.db2.gz FEVNSYLRYQARIC-FQEVSTJZSA-N 2 1 349.563 3.386 20 0 EGADMP CC[NH+](CC=C(C)C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001755181961 1440771169 /nfs/dbraw/zinc/77/11/69/1440771169.db2.gz FEVNSYLRYQARIC-FQEVSTJZSA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)=CC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001755211579 1440783155 /nfs/dbraw/zinc/78/31/55/1440783155.db2.gz VVPGGFFXFBJNKO-JLAWEPINSA-N 2 1 347.547 3.092 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NC1CC(C[NH2+]CCC2CCCCC2)C1 ZINC001755212895 1440783538 /nfs/dbraw/zinc/78/35/38/1440783538.db2.gz LFWJHPMGRCIICQ-MHJFOBGBSA-N 2 1 349.563 3.316 20 0 EGADMP Cc1cccc(C)c1C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001755254898 1440792899 /nfs/dbraw/zinc/79/28/99/1440792899.db2.gz AHAKRZYIOXFHKA-ROUUACIJSA-N 2 1 347.547 3.264 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)C1CCC([NH2+]C[C@H](C)CC(C)C)CC1 ZINC001755275065 1440798786 /nfs/dbraw/zinc/79/87/86/1440798786.db2.gz QNPSBLORGALELD-IPJUCJBFSA-N 2 1 348.535 3.233 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)[NH+](C)CC1CCCC1 ZINC001755312928 1440814279 /nfs/dbraw/zinc/81/42/79/1440814279.db2.gz JUXNLCTZTMRBTE-PXNSSMCTSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)[N@H+](C)CC1CCCC1 ZINC001755312928 1440814280 /nfs/dbraw/zinc/81/42/80/1440814280.db2.gz JUXNLCTZTMRBTE-PXNSSMCTSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)[N@@H+](C)CC1CCCC1 ZINC001755312928 1440814281 /nfs/dbraw/zinc/81/42/81/1440814281.db2.gz JUXNLCTZTMRBTE-PXNSSMCTSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)CC1CCC(C)CC1 ZINC001755327787 1440822654 /nfs/dbraw/zinc/82/26/54/1440822654.db2.gz KRPUNUHEHZEWHD-JLAWEPINSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@H]1CCCCC[N@H+]1CCC1CC1)[NH+]1CCCC1 ZINC001755367716 1440835651 /nfs/dbraw/zinc/83/56/51/1440835651.db2.gz JCFKOMVXDNKGMB-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCC1 ZINC001755367879 1440835700 /nfs/dbraw/zinc/83/57/00/1440835700.db2.gz JWTCPUWYJZMABZ-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CCCCC[N@H+]1CC1CCC1 ZINC001755367879 1440835701 /nfs/dbraw/zinc/83/57/01/1440835701.db2.gz JWTCPUWYJZMABZ-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCC1 ZINC001755367993 1440835818 /nfs/dbraw/zinc/83/58/18/1440835818.db2.gz KGWBYJIPTCUQPD-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCC1 ZINC001755367993 1440835819 /nfs/dbraw/zinc/83/58/19/1440835819.db2.gz KGWBYJIPTCUQPD-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)c2ccccc2C)CC1(C)C ZINC001755417084 1440849528 /nfs/dbraw/zinc/84/95/28/1440849528.db2.gz YERHDKYZKNKXJC-PKOBYXMFSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2C)CC1(C)C ZINC001755417084 1440849529 /nfs/dbraw/zinc/84/95/29/1440849529.db2.gz YERHDKYZKNKXJC-PKOBYXMFSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccccc2C)CC1(C)C ZINC001755417084 1440849530 /nfs/dbraw/zinc/84/95/30/1440849530.db2.gz YERHDKYZKNKXJC-PKOBYXMFSA-N 2 1 345.531 3.224 20 0 EGADMP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1)c1ccccc1 ZINC001755473808 1440859133 /nfs/dbraw/zinc/85/91/33/1440859133.db2.gz XSBKHLADELLBOL-QGZVKYPTSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001755479245 1440859872 /nfs/dbraw/zinc/85/98/72/1440859872.db2.gz GKGCAWCFLPTNIT-BZSNNMDCSA-N 2 1 337.552 3.170 20 0 EGADMP CC(C)=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001755502915 1440862731 /nfs/dbraw/zinc/86/27/31/1440862731.db2.gz KLNZTIVMALUQNJ-HKUYNNGSSA-N 2 1 335.536 3.234 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]([NH2+][C@@H](C)c1ccccc1)C(C)C ZINC001755549800 1440871797 /nfs/dbraw/zinc/87/17/97/1440871797.db2.gz DPTDYGNEOIWVRR-PKOBYXMFSA-N 2 1 342.487 3.073 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N[C@]12CCC[C@@H]1[N@@H+](CC1CCC1)CC2 ZINC001755704116 1440901598 /nfs/dbraw/zinc/90/15/98/1440901598.db2.gz HWVKDSMRYXCTMK-FPOVZHCZSA-N 2 1 347.547 3.166 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N[C@@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2 ZINC001755704118 1440901702 /nfs/dbraw/zinc/90/17/02/1440901702.db2.gz HWVKDSMRYXCTMK-TZIWHRDSSA-N 2 1 347.547 3.166 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001755722974 1440908164 /nfs/dbraw/zinc/90/81/64/1440908164.db2.gz UGTZMFWXVOZYTO-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001755846038 1440933439 /nfs/dbraw/zinc/93/34/39/1440933439.db2.gz JQWHKZZTELGMRX-JTGQJZMRSA-N 2 1 346.519 3.155 20 0 EGADMP Cc1ccc2nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)ccc2c1 ZINC001164682869 719602957 /nfs/dbraw/zinc/60/29/57/719602957.db2.gz GFPBWKQQTMDSRO-UHFFFAOYSA-N 2 1 349.482 3.215 20 0 EGADMP Cc1ccc2nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)ccc2c1 ZINC001164682869 719602965 /nfs/dbraw/zinc/60/29/65/719602965.db2.gz GFPBWKQQTMDSRO-UHFFFAOYSA-N 2 1 349.482 3.215 20 0 EGADMP c1cc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc(N2CCCCC2)[nH+]1 ZINC001165047407 721974996 /nfs/dbraw/zinc/97/49/96/721974996.db2.gz GIHNWWMKWFKKDH-GOSISDBHSA-N 2 1 343.519 3.312 20 0 EGADMP Cc1c[nH+]c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc1N ZINC001164996212 722206955 /nfs/dbraw/zinc/20/69/55/722206955.db2.gz RJJZSQUJZWOJEP-HXUWFJFHSA-N 2 1 340.446 3.356 20 0 EGADMP CCOC1CC(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000368089341 168309813 /nfs/dbraw/zinc/30/98/13/168309813.db2.gz LEIAPHLYMFBSPJ-YZDRJCRTSA-N 2 1 328.500 3.255 20 0 EGADMP CCOC1CC(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000368089341 168309814 /nfs/dbraw/zinc/30/98/14/168309814.db2.gz LEIAPHLYMFBSPJ-YZDRJCRTSA-N 2 1 328.500 3.255 20 0 EGADMP CCOC1CC(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000368089341 168309817 /nfs/dbraw/zinc/30/98/17/168309817.db2.gz LEIAPHLYMFBSPJ-YZDRJCRTSA-N 2 1 328.500 3.255 20 0 EGADMP CCOC(=O)CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000368375728 168349108 /nfs/dbraw/zinc/34/91/08/168349108.db2.gz XCCHITXVAIZGRP-IEBWSBKVSA-N 2 1 332.488 3.220 20 0 EGADMP CCOC(=O)CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000368375728 168349110 /nfs/dbraw/zinc/34/91/10/168349110.db2.gz XCCHITXVAIZGRP-IEBWSBKVSA-N 2 1 332.488 3.220 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000368578662 168376831 /nfs/dbraw/zinc/37/68/31/168376831.db2.gz OXAIVYFUGCCZIY-PPSBMQLTSA-N 2 1 338.442 3.037 20 0 EGADMP CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130656218 529684679 /nfs/dbraw/zinc/68/46/79/529684679.db2.gz BXQYVQYMVGUYKW-OAHLLOKOSA-N 2 1 328.460 3.103 20 0 EGADMP CCc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130656218 529684681 /nfs/dbraw/zinc/68/46/81/529684681.db2.gz BXQYVQYMVGUYKW-OAHLLOKOSA-N 2 1 328.460 3.103 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(O)ccc1Br ZINC000178164724 232098637 /nfs/dbraw/zinc/09/86/37/232098637.db2.gz KSHVDDGQMMWHBK-NSHDSACASA-N 2 1 338.249 3.086 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1C ZINC000178700279 232391701 /nfs/dbraw/zinc/39/17/01/232391701.db2.gz FOGQCHNARKYABR-GOEBONIOSA-N 2 1 342.487 3.451 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000184090343 235304380 /nfs/dbraw/zinc/30/43/80/235304380.db2.gz GBVZIHBIRREZLQ-CPUCHLNUSA-N 2 1 346.450 3.127 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000130796950 223176977 /nfs/dbraw/zinc/17/69/77/223176977.db2.gz XFOHRDUKTXTETQ-MRXNPFEDSA-N 2 1 328.460 3.157 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000130796950 223176978 /nfs/dbraw/zinc/17/69/78/223176978.db2.gz XFOHRDUKTXTETQ-MRXNPFEDSA-N 2 1 328.460 3.157 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000130647290 223167188 /nfs/dbraw/zinc/16/71/88/223167188.db2.gz COYWAIYSNGWJHG-CQSZACIVSA-N 2 1 348.878 3.044 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000130647290 223167189 /nfs/dbraw/zinc/16/71/89/223167189.db2.gz COYWAIYSNGWJHG-CQSZACIVSA-N 2 1 348.878 3.044 20 0 EGADMP c1cnn(-c2ccc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2)c1 ZINC000246949221 243343573 /nfs/dbraw/zinc/34/35/73/243343573.db2.gz UNOCKPQKANZYPP-GHTZIAJQSA-N 2 1 336.483 3.321 20 0 EGADMP c1cnn(-c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2)c1 ZINC000246949221 243343581 /nfs/dbraw/zinc/34/35/81/243343581.db2.gz UNOCKPQKANZYPP-GHTZIAJQSA-N 2 1 336.483 3.321 20 0 EGADMP c1cnn(-c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2)c1 ZINC000246949221 243343589 /nfs/dbraw/zinc/34/35/89/243343589.db2.gz UNOCKPQKANZYPP-GHTZIAJQSA-N 2 1 336.483 3.321 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(CC[NH2+]C)CC2)cc1)C(C)C ZINC000262154385 244830729 /nfs/dbraw/zinc/83/07/29/244830729.db2.gz ZGONGSHPUWMFID-UHFFFAOYSA-N 2 1 345.531 3.379 20 0 EGADMP C[C@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000262644223 245092710 /nfs/dbraw/zinc/09/27/10/245092710.db2.gz JPDLICLPMGZVGW-DMUMMCEESA-N 2 1 345.531 3.197 20 0 EGADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C3CCC3)CC2)cc1)C(C)C ZINC000264940345 247067838 /nfs/dbraw/zinc/06/78/38/247067838.db2.gz HGEHPKMQQNZJJI-UHFFFAOYSA-N 2 1 343.515 3.227 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C3CCC3)CC2)cc1)C(C)C ZINC000264940345 247067840 /nfs/dbraw/zinc/06/78/40/247067840.db2.gz HGEHPKMQQNZJJI-UHFFFAOYSA-N 2 1 343.515 3.227 20 0 EGADMP Cc1ccncc1CCC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000377544652 169039342 /nfs/dbraw/zinc/03/93/42/169039342.db2.gz VMXIUWGCGKZYGZ-KDURUIRLSA-N 3 1 345.531 3.144 20 0 EGADMP CSC1(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000377690841 169061411 /nfs/dbraw/zinc/06/14/11/169061411.db2.gz GUEZAVGOGWPNIB-UHFFFAOYSA-N 2 1 339.593 3.010 20 0 EGADMP CSC1(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000377690841 169061413 /nfs/dbraw/zinc/06/14/13/169061413.db2.gz GUEZAVGOGWPNIB-UHFFFAOYSA-N 3 1 339.593 3.010 20 0 EGADMP CSC1(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000377690841 169061416 /nfs/dbraw/zinc/06/14/16/169061416.db2.gz GUEZAVGOGWPNIB-UHFFFAOYSA-N 3 1 339.593 3.010 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(N2CCOCC2)c1 ZINC000268705058 252155981 /nfs/dbraw/zinc/15/59/81/252155981.db2.gz BLXSBJTUYXIWLK-OALUTQOASA-N 2 1 345.531 3.438 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000268763154 252213317 /nfs/dbraw/zinc/21/33/17/252213317.db2.gz IFVYVDUTBJGXCT-SNRMKQJTSA-N 2 1 344.503 3.494 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000268763154 252213319 /nfs/dbraw/zinc/21/33/19/252213319.db2.gz IFVYVDUTBJGXCT-SNRMKQJTSA-N 2 1 344.503 3.494 20 0 EGADMP O[C@@H](C[NH2+][C@@H]1CCCSc2ccc(Cl)cc21)C[NH+]1CCCC1 ZINC000360248026 285306000 /nfs/dbraw/zinc/30/60/00/285306000.db2.gz FESBPEKCJDWREV-GOEBONIOSA-N 2 1 340.920 3.313 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)c2cc1C ZINC000118842590 221196053 /nfs/dbraw/zinc/19/60/53/221196053.db2.gz IKTXUWQKDVAOKH-MRXNPFEDSA-N 2 1 328.456 3.183 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)c2cc1C ZINC000118842590 221196055 /nfs/dbraw/zinc/19/60/55/221196055.db2.gz IKTXUWQKDVAOKH-MRXNPFEDSA-N 2 1 328.456 3.183 20 0 EGADMP Cc1cc2oc(=O)cc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)c2cc1C ZINC000118842590 221196059 /nfs/dbraw/zinc/19/60/59/221196059.db2.gz IKTXUWQKDVAOKH-MRXNPFEDSA-N 2 1 328.456 3.183 20 0 EGADMP Cc1cc2oc(=O)cc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)c2cc1C ZINC000118842590 221196062 /nfs/dbraw/zinc/19/60/62/221196062.db2.gz IKTXUWQKDVAOKH-MRXNPFEDSA-N 2 1 328.456 3.183 20 0 EGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000183743355 533570791 /nfs/dbraw/zinc/57/07/91/533570791.db2.gz TTWPXBVSBKLMOG-OAHLLOKOSA-N 2 1 348.487 3.152 20 0 EGADMP C[C@H]1CCC[C@@](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)([NH+](C)C)C1 ZINC000298257529 132388027 /nfs/dbraw/zinc/38/80/27/132388027.db2.gz FEMFSMOYFAKSAX-FXAWDEMLSA-N 3 1 330.520 3.151 20 0 EGADMP CC[N@@H+](CCCC1CC[NH+](C[C@@H]2CCCO2)CC1)C[C@H]1CCCO1 ZINC000346456338 141198677 /nfs/dbraw/zinc/19/86/77/141198677.db2.gz OHINRIYXCKRUIP-UXHICEINSA-N 2 1 338.536 3.159 20 0 EGADMP Cc1cc(F)ccc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000352959532 141277375 /nfs/dbraw/zinc/27/73/75/141277375.db2.gz VUSVUYHVWHZUPU-QZTJIDSGSA-N 2 1 333.495 3.125 20 0 EGADMP C[N@@H+](Cc1ccc(-c2ccccc2F)s1)C1CCN(CCO)CC1 ZINC000353355620 141293703 /nfs/dbraw/zinc/29/37/03/141293703.db2.gz QIHIZWOIVNDFPY-UHFFFAOYSA-N 2 1 348.487 3.443 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000353472401 141304596 /nfs/dbraw/zinc/30/45/96/141304596.db2.gz UDCVSGPXXKDRRA-LZQZEXGQSA-N 2 1 329.488 3.388 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000353476983 141304839 /nfs/dbraw/zinc/30/48/39/141304839.db2.gz ZXPDEOYHDUGOJH-DBVUQKKJSA-N 2 1 343.515 3.065 20 0 EGADMP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173615704 144045383 /nfs/dbraw/zinc/04/53/83/144045383.db2.gz SYJLQYJYTAGLSP-IAGOWNOFSA-N 2 1 331.504 3.023 20 0 EGADMP Cc1cncc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000184381286 144091847 /nfs/dbraw/zinc/09/18/47/144091847.db2.gz CVPWGYOFURKKEM-HNNXBMFYSA-N 2 1 325.460 3.116 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H]3C[C@@H](OC(C)C)C3(C)C)CC2)nc(C)[nH+]1 ZINC000185235394 144108537 /nfs/dbraw/zinc/10/85/37/144108537.db2.gz IUJWVWJXYQDTFH-ZWKOTPCHSA-N 2 1 346.519 3.244 20 0 EGADMP COc1c(Br)cccc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000187132858 144153057 /nfs/dbraw/zinc/15/30/57/144153057.db2.gz ANGAZJUTXFEBCZ-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344624223 144200904 /nfs/dbraw/zinc/20/09/04/144200904.db2.gz IIACVWDDAQDMNZ-BLLLJJGKSA-N 2 1 348.441 3.340 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000344624223 144200906 /nfs/dbraw/zinc/20/09/06/144200906.db2.gz IIACVWDDAQDMNZ-BLLLJJGKSA-N 2 1 348.441 3.340 20 0 EGADMP COCc1ccccc1/C=C(/C)CN1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000351483807 144267346 /nfs/dbraw/zinc/26/73/46/144267346.db2.gz PMGYSOAPGDIRGA-FDWYHIAWSA-N 2 1 346.515 3.013 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@H]12 ZINC000351491367 144268464 /nfs/dbraw/zinc/26/84/64/144268464.db2.gz JUDDFRDARMZTHM-MDNKFWRPSA-N 2 1 335.451 3.036 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@H]12 ZINC000351491367 144268467 /nfs/dbraw/zinc/26/84/67/144268467.db2.gz JUDDFRDARMZTHM-MDNKFWRPSA-N 2 1 335.451 3.036 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(c1ccccc1)c1ccccc1 ZINC000351578445 144283254 /nfs/dbraw/zinc/28/32/54/144283254.db2.gz HKSFTESCINORMW-UTKZUKDTSA-N 2 1 338.495 3.252 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(c1ccccc1)c1ccccc1 ZINC000351578445 144283255 /nfs/dbraw/zinc/28/32/55/144283255.db2.gz HKSFTESCINORMW-UTKZUKDTSA-N 2 1 338.495 3.252 20 0 EGADMP CCCCNC(=O)CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000116276649 152054834 /nfs/dbraw/zinc/05/48/34/152054834.db2.gz FXKOEPHGAFXXAR-UHFFFAOYSA-N 2 1 345.531 3.137 20 0 EGADMP Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OC[C@H]2CCCO2)c1 ZINC000119750578 152225644 /nfs/dbraw/zinc/22/56/44/152225644.db2.gz SCEDKDJHNFOQLP-BHIYHBOVSA-N 2 1 332.488 3.125 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c(OC[C@H]2CCCO2)c1 ZINC000119750578 152225648 /nfs/dbraw/zinc/22/56/48/152225648.db2.gz SCEDKDJHNFOQLP-BHIYHBOVSA-N 2 1 332.488 3.125 20 0 EGADMP COc1cc(C)c(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1OC ZINC000121788606 152370854 /nfs/dbraw/zinc/37/08/54/152370854.db2.gz ADVWCCPGEVTKJC-UHFFFAOYSA-N 2 1 343.471 3.200 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@]3(C)CCO[C@H]3C3CC3)sc2C1 ZINC000341559687 155354755 /nfs/dbraw/zinc/35/47/55/155354755.db2.gz PJSHVMHJBSXRPK-OALUTQOASA-N 2 1 349.544 3.204 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@]3(C)CCO[C@H]3C3CC3)sc2C1 ZINC000341559687 155354759 /nfs/dbraw/zinc/35/47/59/155354759.db2.gz PJSHVMHJBSXRPK-OALUTQOASA-N 2 1 349.544 3.204 20 0 EGADMP COc1ccccc1[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCC1 ZINC000192596302 153251065 /nfs/dbraw/zinc/25/10/65/153251065.db2.gz ZOYALKMGWZNURV-DLZDZTESSA-N 2 1 343.515 3.047 20 0 EGADMP COc1ccccc1[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCC1 ZINC000192596302 153251067 /nfs/dbraw/zinc/25/10/67/153251067.db2.gz ZOYALKMGWZNURV-DLZDZTESSA-N 2 1 343.515 3.047 20 0 EGADMP COc1ccccc1[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCCC1 ZINC000192596302 153251070 /nfs/dbraw/zinc/25/10/70/153251070.db2.gz ZOYALKMGWZNURV-DLZDZTESSA-N 2 1 343.515 3.047 20 0 EGADMP CC(=O)Nc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192933608 153267707 /nfs/dbraw/zinc/26/77/07/153267707.db2.gz NZJDGHQOEFRHND-LJQANCHMSA-N 2 1 337.467 3.257 20 0 EGADMP C[C@@]1(C[NH2+]C2CCC3(CC2)OCCO3)CC[N@@H+](Cc2ccccc2)C1 ZINC000311030607 154144959 /nfs/dbraw/zinc/14/49/59/154144959.db2.gz PXSGTYPEDXBWIG-FQEVSTJZSA-N 2 1 344.499 3.174 20 0 EGADMP c1csc(-c2noc(CCC[NH+]3CCC([NH2+]CC4CC4)CC3)n2)c1 ZINC000325441061 154178587 /nfs/dbraw/zinc/17/85/87/154178587.db2.gz USKWWSYCHYOVSI-UHFFFAOYSA-N 2 1 346.500 3.195 20 0 EGADMP c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336810046 154213705 /nfs/dbraw/zinc/21/37/05/154213705.db2.gz GXAVZKWWPMQSSX-FQEVSTJZSA-N 2 1 346.478 3.484 20 0 EGADMP c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336810046 154213709 /nfs/dbraw/zinc/21/37/09/154213709.db2.gz GXAVZKWWPMQSSX-FQEVSTJZSA-N 2 1 346.478 3.484 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000336888049 154230901 /nfs/dbraw/zinc/23/09/01/154230901.db2.gz JHZHKDOCWZKCIO-GOSISDBHSA-N 2 1 337.471 3.486 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000336888049 154230906 /nfs/dbraw/zinc/23/09/06/154230906.db2.gz JHZHKDOCWZKCIO-GOSISDBHSA-N 2 1 337.471 3.486 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCC23CCC3)CC1 ZINC000337379944 154321314 /nfs/dbraw/zinc/32/13/14/154321314.db2.gz CYJDAUCFXGRERH-FQEVSTJZSA-N 2 1 327.516 3.246 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346814405 156147867 /nfs/dbraw/zinc/14/78/67/156147867.db2.gz BEYKWJXDBUCYMT-CEWLAPEOSA-N 2 1 338.499 3.107 20 0 EGADMP CN(C)c1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc[nH+]1 ZINC000346865620 156170419 /nfs/dbraw/zinc/17/04/19/156170419.db2.gz DKENWRUWMIUXEZ-UHFFFAOYSA-N 2 1 338.455 3.386 20 0 EGADMP FC(F)(F)c1csc([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000347001255 156238295 /nfs/dbraw/zinc/23/82/95/156238295.db2.gz GXAZSFVSBMYEGB-LBPRGKRZSA-N 2 1 333.423 3.341 20 0 EGADMP CN(Cc1cnn(-c2ccc(F)cc2)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348873124 156270650 /nfs/dbraw/zinc/27/06/50/156270650.db2.gz DVOMNZVEUWHHNU-DFNIBXOVSA-N 2 1 328.435 3.068 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000348889137 156277359 /nfs/dbraw/zinc/27/73/59/156277359.db2.gz FOVACEVKQBXEDZ-MSOLQXFVSA-N 2 1 345.531 3.060 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000348889137 156277361 /nfs/dbraw/zinc/27/73/61/156277361.db2.gz FOVACEVKQBXEDZ-MSOLQXFVSA-N 2 1 345.531 3.060 20 0 EGADMP Cc1cc2[nH]c(C[N@H+](C)CCN(C)C3CC[NH+](C)CC3)cc2c(C)c1 ZINC000349060335 156339086 /nfs/dbraw/zinc/33/90/86/156339086.db2.gz FGXGCPZNXGKKHW-UHFFFAOYSA-N 2 1 342.531 3.243 20 0 EGADMP COc1ccc2nc(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)sc2c1 ZINC000349158196 156371618 /nfs/dbraw/zinc/37/16/18/156371618.db2.gz ZRBFGYZIHQNVME-OAHLLOKOSA-N 2 1 345.512 3.469 20 0 EGADMP CCOCCC[N@H+]1CC[C@H](NCc2nc(C(C)C)cs2)[C@@H](C)C1 ZINC000362130661 157035007 /nfs/dbraw/zinc/03/50/07/157035007.db2.gz SDRWZEVDHJXJGQ-HOTGVXAUSA-N 2 1 339.549 3.493 20 0 EGADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(C)ccc1OC ZINC000093405312 162007778 /nfs/dbraw/zinc/00/77/78/162007778.db2.gz LPRCJVCKUSVISO-FQEVSTJZSA-N 2 1 347.547 3.318 20 0 EGADMP CCOC[C@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](CC)CC2)C1 ZINC000093419365 162010267 /nfs/dbraw/zinc/01/02/67/162010267.db2.gz ARKLVPCYQKKFAK-IBGZPJMESA-N 2 1 345.531 3.077 20 0 EGADMP CC[C@H](C)N(CC[C@@H]1CCC[N@H+]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000125218226 162267734 /nfs/dbraw/zinc/26/77/34/162267734.db2.gz MTMQWZAUHQFOKV-HOTGVXAUSA-N 2 1 342.487 3.008 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000130362014 162365344 /nfs/dbraw/zinc/36/53/44/162365344.db2.gz KJUYBERLXLQDDE-QGZVFWFLSA-N 2 1 331.504 3.133 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248446726 163006688 /nfs/dbraw/zinc/00/66/88/163006688.db2.gz WUUNRDHWPBJXLD-ZIAGYGMSSA-N 2 1 330.398 3.023 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248446726 163006690 /nfs/dbraw/zinc/00/66/90/163006690.db2.gz WUUNRDHWPBJXLD-ZIAGYGMSSA-N 2 1 330.398 3.023 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248446726 163006693 /nfs/dbraw/zinc/00/66/93/163006693.db2.gz WUUNRDHWPBJXLD-ZIAGYGMSSA-N 2 1 330.398 3.023 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338439881 163226699 /nfs/dbraw/zinc/22/66/99/163226699.db2.gz ZPYMSHITESWNKV-KRWDZBQOSA-N 2 1 326.488 3.217 20 0 EGADMP CCC[C@H](C)[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000338946749 163398907 /nfs/dbraw/zinc/39/89/07/163398907.db2.gz ZZGJSDHBIVINMD-IBGZPJMESA-N 2 1 345.531 3.150 20 0 EGADMP CCC[C@H](C)[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000338946749 163398909 /nfs/dbraw/zinc/39/89/09/163398909.db2.gz ZZGJSDHBIVINMD-IBGZPJMESA-N 2 1 345.531 3.150 20 0 EGADMP CCC[C@H](C)[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000338946749 163398911 /nfs/dbraw/zinc/39/89/11/163398911.db2.gz ZZGJSDHBIVINMD-IBGZPJMESA-N 2 1 345.531 3.150 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC000354375870 166012399 /nfs/dbraw/zinc/01/23/99/166012399.db2.gz IWQDKPUSDIUXFJ-PKOBYXMFSA-N 2 1 343.471 3.082 20 0 EGADMP COCc1cccc(OCC2(C[N@@H+](C)[C@@H]3CCN(C)[C@@H](C)C3)CC2)c1 ZINC000354795519 166033924 /nfs/dbraw/zinc/03/39/24/166033924.db2.gz WXCGHUKMCVZPOX-PKOBYXMFSA-N 2 1 346.515 3.407 20 0 EGADMP COCc1cccc(OCC2(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)CC2)c1 ZINC000354795519 166033926 /nfs/dbraw/zinc/03/39/26/166033926.db2.gz WXCGHUKMCVZPOX-PKOBYXMFSA-N 2 1 346.515 3.407 20 0 EGADMP COCc1cccc(OCC2(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)CC2)c1 ZINC000354795519 166033929 /nfs/dbraw/zinc/03/39/29/166033929.db2.gz WXCGHUKMCVZPOX-PKOBYXMFSA-N 2 1 346.515 3.407 20 0 EGADMP COCc1cccc(OCC2(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000354795519 166033933 /nfs/dbraw/zinc/03/39/33/166033933.db2.gz WXCGHUKMCVZPOX-PKOBYXMFSA-N 2 1 346.515 3.407 20 0 EGADMP COCc1cccc(OCC2(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c1 ZINC000354795519 166033935 /nfs/dbraw/zinc/03/39/35/166033935.db2.gz WXCGHUKMCVZPOX-PKOBYXMFSA-N 2 1 346.515 3.407 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)CCN1C1CC[NH+](C)CC1 ZINC000343777247 164032702 /nfs/dbraw/zinc/03/27/02/164032702.db2.gz XWFAZHCGWOXBSN-MRXNPFEDSA-N 2 1 327.472 3.033 20 0 EGADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(F)cc1F ZINC000343989823 164078458 /nfs/dbraw/zinc/07/84/58/164078458.db2.gz ABIALQCSHODGQK-CYBMUJFWSA-N 2 1 335.398 3.151 20 0 EGADMP CC(C)[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccco1)[NH+]1CCCCC1 ZINC000344036940 164088222 /nfs/dbraw/zinc/08/82/22/164088222.db2.gz VVLASUOPFDXVQB-LJQANCHMSA-N 2 1 349.519 3.070 20 0 EGADMP Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)s2)o1 ZINC000344061842 164093994 /nfs/dbraw/zinc/09/39/94/164093994.db2.gz JUKPHRPRXDCAPL-CYBMUJFWSA-N 2 1 328.441 3.260 20 0 EGADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000344088034 164100779 /nfs/dbraw/zinc/10/07/79/164100779.db2.gz NCRFNHBNDQHDGE-VQTJNVASSA-N 2 1 346.515 3.202 20 0 EGADMP COC[C@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)c1ccc(F)cc1 ZINC000344237545 164133318 /nfs/dbraw/zinc/13/33/18/164133318.db2.gz WQXLLOYRAPILHX-IBGZPJMESA-N 2 1 340.402 3.192 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)[C@H](C)C1 ZINC000344532581 164187935 /nfs/dbraw/zinc/18/79/35/164187935.db2.gz GBXKUJIHNYOZIC-UTKZUKDTSA-N 2 1 339.483 3.481 20 0 EGADMP O=C(Nc1cccc(-n2ccnc2)c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000345685400 164242363 /nfs/dbraw/zinc/24/23/63/164242363.db2.gz QZOWWHMBDMBENU-FQEVSTJZSA-N 2 1 346.434 3.475 20 0 EGADMP O=C(Nc1cccc(-n2ccnc2)c1)[C@@H]1CCCN1Cc1ccccc1 ZINC000345685400 164242366 /nfs/dbraw/zinc/24/23/66/164242366.db2.gz QZOWWHMBDMBENU-FQEVSTJZSA-N 2 1 346.434 3.475 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000345744555 164257115 /nfs/dbraw/zinc/25/71/15/164257115.db2.gz YTULQINIIGUFDD-SJORKVTESA-N 2 1 339.483 3.440 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345809496 164269670 /nfs/dbraw/zinc/26/96/70/164269670.db2.gz DQQJWUIKYQZTRD-HDICACEKSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345809496 164269671 /nfs/dbraw/zinc/26/96/71/164269671.db2.gz DQQJWUIKYQZTRD-HDICACEKSA-N 2 1 348.535 3.271 20 0 EGADMP C[C@@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC000345808752 164269726 /nfs/dbraw/zinc/26/97/26/164269726.db2.gz CCQSCYVGVTVQOF-OTWHNJEPSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)[NH+](CC)C[C@H]2C)cc1 ZINC000345931494 164297949 /nfs/dbraw/zinc/29/79/49/164297949.db2.gz WJAVQYPTRULLPM-ZWKOTPCHSA-N 2 1 345.531 3.473 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)cc1 ZINC000345931494 164297950 /nfs/dbraw/zinc/29/79/50/164297950.db2.gz WJAVQYPTRULLPM-ZWKOTPCHSA-N 2 1 345.531 3.473 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)cc1 ZINC000345931494 164297953 /nfs/dbraw/zinc/29/79/53/164297953.db2.gz WJAVQYPTRULLPM-ZWKOTPCHSA-N 2 1 345.531 3.473 20 0 EGADMP CCN(CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)CC(F)(F)F ZINC000354862958 166050208 /nfs/dbraw/zinc/05/02/08/166050208.db2.gz XOBLJWNYEBMJJF-MRXNPFEDSA-N 2 1 335.458 3.069 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000350180525 165016154 /nfs/dbraw/zinc/01/61/54/165016154.db2.gz GBGHEPWCWPQJOU-ZBFHGGJFSA-N 2 1 326.431 3.459 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000355733442 166292266 /nfs/dbraw/zinc/29/22/66/166292266.db2.gz LCQKRFQXKPODLO-QGZVFWFLSA-N 2 1 340.508 3.351 20 0 EGADMP CC[C@H](C(=O)N[C@H](c1ncc[nH]1)C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000355963090 166360833 /nfs/dbraw/zinc/36/08/33/166360833.db2.gz UGKBIDOEIXHUPP-SJORKVTESA-N 2 1 328.460 3.134 20 0 EGADMP CC[C@H](C(=O)N[C@H](c1ncc[nH]1)C(C)C)N(C)Cc1ccccc1 ZINC000355963090 166360834 /nfs/dbraw/zinc/36/08/34/166360834.db2.gz UGKBIDOEIXHUPP-SJORKVTESA-N 2 1 328.460 3.134 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)[C@H](C)C1 ZINC000357889339 166804243 /nfs/dbraw/zinc/80/42/43/166804243.db2.gz ZMJAYHHGQXAVGJ-UKRRQHHQSA-N 2 1 345.409 3.189 20 0 EGADMP OC[C@H](CC1CCC1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000359054601 167052786 /nfs/dbraw/zinc/05/27/86/167052786.db2.gz KYENQVJFAVWYRX-XSDIEEQYSA-N 2 1 328.500 3.038 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000359311019 167122549 /nfs/dbraw/zinc/12/25/49/167122549.db2.gz KJZJFMBRGSLQJM-UYAOXDASSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000359470997 167165676 /nfs/dbraw/zinc/16/56/76/167165676.db2.gz KXDAWVGKSBVFOC-JENIJYKNSA-N 2 1 348.535 3.097 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000359508648 167175388 /nfs/dbraw/zinc/17/53/88/167175388.db2.gz DKVVALWNZFBXGT-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000359552739 167190431 /nfs/dbraw/zinc/19/04/31/167190431.db2.gz GTASMHAPVKWJCC-IEZWGBDMSA-N 2 1 343.471 3.128 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000359769674 167227502 /nfs/dbraw/zinc/22/75/02/167227502.db2.gz YVMICAXGLOJQIJ-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000359769674 167227504 /nfs/dbraw/zinc/22/75/04/167227504.db2.gz YVMICAXGLOJQIJ-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000359769674 167227507 /nfs/dbraw/zinc/22/75/07/167227507.db2.gz YVMICAXGLOJQIJ-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000359769672 167227718 /nfs/dbraw/zinc/22/77/18/167227718.db2.gz YVMICAXGLOJQIJ-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000359769672 167227721 /nfs/dbraw/zinc/22/77/21/167227721.db2.gz YVMICAXGLOJQIJ-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000359769672 167227723 /nfs/dbraw/zinc/22/77/23/167227723.db2.gz YVMICAXGLOJQIJ-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000359777456 167229646 /nfs/dbraw/zinc/22/96/46/167229646.db2.gz HZPWJSHMZUBBSS-MRXNPFEDSA-N 2 1 340.471 3.097 20 0 EGADMP O[C@H](C[NH2+][C@H]1CCCSc2ccc(Cl)cc21)C[NH+]1CCCC1 ZINC000360248028 167281212 /nfs/dbraw/zinc/28/12/12/167281212.db2.gz FESBPEKCJDWREV-ZBFHGGJFSA-N 2 1 340.920 3.313 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000360612199 167369435 /nfs/dbraw/zinc/36/94/35/167369435.db2.gz IILLFGBELRFHOE-UHFFFAOYSA-N 2 1 345.462 3.180 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366219884 168095781 /nfs/dbraw/zinc/09/57/81/168095781.db2.gz CEIHWMFDCYKZFV-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CSc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000367617627 168250361 /nfs/dbraw/zinc/25/03/61/168250361.db2.gz LUNDKBIWCZMUPN-SFHVURJKSA-N 2 1 333.545 3.009 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000367765420 168267799 /nfs/dbraw/zinc/26/77/99/168267799.db2.gz MXCYPWATJNAVTM-DOTOQJQBSA-N 2 1 339.524 3.096 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000353459206 287314483 /nfs/dbraw/zinc/31/44/83/287314483.db2.gz LHTXQAOCXRPDAL-RNQOJCNYSA-N 2 1 343.515 3.059 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CCn2cccn2)cc1F ZINC000157656348 224864259 /nfs/dbraw/zinc/86/42/59/224864259.db2.gz NKDCCRPHHMGCGI-AWEZNQCLSA-N 2 1 327.407 3.085 20 0 EGADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000173781214 265002135 /nfs/dbraw/zinc/00/21/35/265002135.db2.gz ALWZCPGMNQEKDV-GOSISDBHSA-N 2 1 332.488 3.414 20 0 EGADMP CCOc1ccccc1OCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000173781214 265002138 /nfs/dbraw/zinc/00/21/38/265002138.db2.gz ALWZCPGMNQEKDV-GOSISDBHSA-N 2 1 332.488 3.414 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1)C(C)C ZINC000236993076 266222307 /nfs/dbraw/zinc/22/23/07/266222307.db2.gz VSRGPPHWPIKESM-LPHOPBHVSA-N 2 1 331.504 3.116 20 0 EGADMP O[C@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCc2ccccc21 ZINC000269826263 266364624 /nfs/dbraw/zinc/36/46/24/266364624.db2.gz QTMCFEVYEKEWEY-QFIPXVFZSA-N 2 1 336.479 3.075 20 0 EGADMP Cc1cc(C)n(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000274852131 267297705 /nfs/dbraw/zinc/29/77/05/267297705.db2.gz REIDNKXTSAXMOZ-JXFKEZNVSA-N 2 1 326.488 3.000 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cnc2ccsc2c1 ZINC000278412939 268007567 /nfs/dbraw/zinc/00/75/67/268007567.db2.gz FMCSDSZCMWDCGV-HUUCEWRRSA-N 2 1 333.501 3.448 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cnc2ccsc2c1 ZINC000278412939 268007569 /nfs/dbraw/zinc/00/75/69/268007569.db2.gz FMCSDSZCMWDCGV-HUUCEWRRSA-N 2 1 333.501 3.448 20 0 EGADMP CN1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000278489192 268025003 /nfs/dbraw/zinc/02/50/03/268025003.db2.gz BIMZPVJQFWNTRU-CEMLEFRQSA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC(N[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000278489192 268025004 /nfs/dbraw/zinc/02/50/04/268025004.db2.gz BIMZPVJQFWNTRU-CEMLEFRQSA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC(N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000278489192 268025006 /nfs/dbraw/zinc/02/50/06/268025006.db2.gz BIMZPVJQFWNTRU-CEMLEFRQSA-N 2 1 341.543 3.361 20 0 EGADMP COc1ccc(CC[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278489785 268025144 /nfs/dbraw/zinc/02/51/44/268025144.db2.gz KXXYZQFMGVCEIB-MSOLQXFVSA-N 2 1 334.504 3.107 20 0 EGADMP COc1ccc(CC[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278489785 268025146 /nfs/dbraw/zinc/02/51/46/268025146.db2.gz KXXYZQFMGVCEIB-MSOLQXFVSA-N 2 1 334.504 3.107 20 0 EGADMP COc1cccc2c(N3CC[C@]4(C3)CCC[N@H+](C)C4)cc(C)[nH+]c12 ZINC000338744094 274150387 /nfs/dbraw/zinc/15/03/87/274150387.db2.gz KFGBTNWHOYELBV-HXUWFJFHSA-N 2 1 325.456 3.474 20 0 EGADMP COc1cccc2c(N3CC[C@]4(C3)CCC[N@@H+](C)C4)cc(C)[nH+]c12 ZINC000338744094 274150390 /nfs/dbraw/zinc/15/03/90/274150390.db2.gz KFGBTNWHOYELBV-HXUWFJFHSA-N 2 1 325.456 3.474 20 0 EGADMP COc1cccc2c(N3C[C@H](SC)[C@@H]([NH+](C)C)C3)cc(C)[nH+]c12 ZINC000340743324 274150438 /nfs/dbraw/zinc/15/04/38/274150438.db2.gz MADWFWLRTOLPNO-RDJZCZTQSA-N 2 1 331.485 3.034 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCC(C)(C)[NH+]1CCCCC1 ZINC000152688041 274356138 /nfs/dbraw/zinc/35/61/38/274356138.db2.gz RAFLFTDTDULYNF-QUCCMNQESA-N 2 1 344.547 3.146 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NCC(C)(C)[NH+]1CCCCC1 ZINC000152688041 274356141 /nfs/dbraw/zinc/35/61/41/274356141.db2.gz RAFLFTDTDULYNF-QUCCMNQESA-N 2 1 344.547 3.146 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCc4occc43)CC2)nc(C)[nH+]1 ZINC000190942855 274703805 /nfs/dbraw/zinc/70/38/05/274703805.db2.gz AVNDQJVOUGPJNI-QGZVFWFLSA-N 2 1 326.444 3.322 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(O)c1 ZINC000194836450 275227695 /nfs/dbraw/zinc/22/76/95/275227695.db2.gz FTPHUGHPHDCREC-INIZCTEOSA-N 2 1 326.440 3.075 20 0 EGADMP CC[C@H](C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)[NH+](CC)CC ZINC000265577189 275234290 /nfs/dbraw/zinc/23/42/90/275234290.db2.gz UNRORZDIXCUIOG-VQIMIIECSA-N 2 1 347.503 3.139 20 0 EGADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(C)o1 ZINC000278624100 275260119 /nfs/dbraw/zinc/26/01/19/275260119.db2.gz GLGRCDOBEWJLCQ-HNAYVOBHSA-N 2 1 328.456 3.314 20 0 EGADMP COc1cccc(C[C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C2CC2)c1 ZINC000279047409 275299137 /nfs/dbraw/zinc/29/91/37/275299137.db2.gz XUDZJUPBPRFSTE-QFBILLFUSA-N 2 1 325.456 3.065 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCc1ncc[nH]1 ZINC000279126102 275305942 /nfs/dbraw/zinc/30/59/42/275305942.db2.gz DIWUBBVRIOHDET-MRXNPFEDSA-N 2 1 340.471 3.033 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)cc1 ZINC000279511830 275336277 /nfs/dbraw/zinc/33/62/77/275336277.db2.gz NROZWIRFGSTSJL-HNNXBMFYSA-N 2 1 336.439 3.039 20 0 EGADMP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH+]3C3CC3)c2C1 ZINC000279935469 275378317 /nfs/dbraw/zinc/37/83/17/275378317.db2.gz REPDJTYQHCQVJA-LJQANCHMSA-N 2 1 327.472 3.224 20 0 EGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH+]3C3CC3)c2C1 ZINC000279935469 275378318 /nfs/dbraw/zinc/37/83/18/275378318.db2.gz REPDJTYQHCQVJA-LJQANCHMSA-N 2 1 327.472 3.224 20 0 EGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)c2C1 ZINC000279935469 275378320 /nfs/dbraw/zinc/37/83/20/275378320.db2.gz REPDJTYQHCQVJA-LJQANCHMSA-N 2 1 327.472 3.224 20 0 EGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)c2C1 ZINC000279935469 275378322 /nfs/dbraw/zinc/37/83/22/275378322.db2.gz REPDJTYQHCQVJA-LJQANCHMSA-N 2 1 327.472 3.224 20 0 EGADMP COCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000282029631 275597479 /nfs/dbraw/zinc/59/74/79/275597479.db2.gz FJMKQQJHUXFQPO-PZJWPPBQSA-N 2 1 330.516 3.488 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)oc1C ZINC000282175193 275608875 /nfs/dbraw/zinc/60/88/75/275608875.db2.gz MMJAGELLUZXKJV-OAHLLOKOSA-N 2 1 343.471 3.039 20 0 EGADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000151972455 275749193 /nfs/dbraw/zinc/74/91/93/275749193.db2.gz VBHVMQJFTJJFST-UXHICEINSA-N 2 1 339.483 3.229 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC000344742668 276077817 /nfs/dbraw/zinc/07/78/17/276077817.db2.gz QRNFKUIFEGNVGU-PXNSSMCTSA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC000344742668 276077819 /nfs/dbraw/zinc/07/78/19/276077819.db2.gz QRNFKUIFEGNVGU-PXNSSMCTSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC000344742668 276077821 /nfs/dbraw/zinc/07/78/21/276077821.db2.gz QRNFKUIFEGNVGU-PXNSSMCTSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC000344742668 276077822 /nfs/dbraw/zinc/07/78/22/276077822.db2.gz QRNFKUIFEGNVGU-PXNSSMCTSA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC000248040660 276078373 /nfs/dbraw/zinc/07/83/73/276078373.db2.gz VNPGDZDSTXOZDF-MLYOOKFZSA-N 2 1 345.531 3.162 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC000248040660 276078374 /nfs/dbraw/zinc/07/83/74/276078374.db2.gz VNPGDZDSTXOZDF-MLYOOKFZSA-N 2 1 345.531 3.162 20 0 EGADMP COc1ccncc1C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000287086033 276081540 /nfs/dbraw/zinc/08/15/40/276081540.db2.gz VQWSOBFBQGOXLF-HXUWFJFHSA-N 2 1 339.483 3.481 20 0 EGADMP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000287227294 276098582 /nfs/dbraw/zinc/09/85/82/276098582.db2.gz XXWFBTLMKWNUIE-FRQCXROJSA-N 2 1 346.519 3.108 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc21 ZINC000338776698 276288354 /nfs/dbraw/zinc/28/83/54/276288354.db2.gz LTSMCRHECVYPQW-RGCFKVTRSA-N 2 1 330.472 3.241 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc21 ZINC000338776698 276288355 /nfs/dbraw/zinc/28/83/55/276288355.db2.gz LTSMCRHECVYPQW-RGCFKVTRSA-N 2 1 330.472 3.241 20 0 EGADMP C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289291587 276317071 /nfs/dbraw/zinc/31/70/71/276317071.db2.gz AAUURKHSCASIHF-KCQAQPDRSA-N 2 1 344.421 3.242 20 0 EGADMP C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289291587 276317072 /nfs/dbraw/zinc/31/70/72/276317072.db2.gz AAUURKHSCASIHF-KCQAQPDRSA-N 2 1 344.421 3.242 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000289513319 276351089 /nfs/dbraw/zinc/35/10/89/276351089.db2.gz ARKHELOHEBMLJY-NSHDSACASA-N 2 1 340.240 3.314 20 0 EGADMP COCCOCc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000289582646 276361603 /nfs/dbraw/zinc/36/16/03/276361603.db2.gz HLROVURSCDKKMZ-OAQYLSRUSA-N 2 1 346.515 3.157 20 0 EGADMP COCCOCc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000289582646 276361605 /nfs/dbraw/zinc/36/16/05/276361605.db2.gz HLROVURSCDKKMZ-OAQYLSRUSA-N 2 1 346.515 3.157 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)no1 ZINC000289794788 276395676 /nfs/dbraw/zinc/39/56/76/276395676.db2.gz OONFZYIOXMWHET-CQSZACIVSA-N 2 1 332.448 3.151 20 0 EGADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000376425914 277150904 /nfs/dbraw/zinc/15/09/04/277150904.db2.gz JNVDIMAJBIFQTP-SFHVURJKSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000178140163 277151108 /nfs/dbraw/zinc/15/11/08/277151108.db2.gz KZEGYGASLJNBIE-INIZCTEOSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)C[C@@H]1c1ccccc1 ZINC000340306543 277173143 /nfs/dbraw/zinc/17/31/43/277173143.db2.gz HQDFXUBUPKSEIJ-MTQWCTHYSA-N 2 1 346.540 3.466 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)C[C@@H]1c1ccccc1 ZINC000340306543 277173144 /nfs/dbraw/zinc/17/31/44/277173144.db2.gz HQDFXUBUPKSEIJ-MTQWCTHYSA-N 2 1 346.540 3.466 20 0 EGADMP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158650088 279075895 /nfs/dbraw/zinc/07/58/95/279075895.db2.gz AGOLLZQMUDGETH-VAMGGRTRSA-N 2 1 343.515 3.012 20 0 EGADMP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158650088 279075897 /nfs/dbraw/zinc/07/58/97/279075897.db2.gz AGOLLZQMUDGETH-VAMGGRTRSA-N 2 1 343.515 3.012 20 0 EGADMP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158650088 279075898 /nfs/dbraw/zinc/07/58/98/279075898.db2.gz AGOLLZQMUDGETH-VAMGGRTRSA-N 2 1 343.515 3.012 20 0 EGADMP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158650088 279075901 /nfs/dbraw/zinc/07/59/01/279075901.db2.gz AGOLLZQMUDGETH-VAMGGRTRSA-N 2 1 343.515 3.012 20 0 EGADMP Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000173491504 281349706 /nfs/dbraw/zinc/34/97/06/281349706.db2.gz QGVQIMKOOSVQLA-SFHVURJKSA-N 2 1 329.488 3.274 20 0 EGADMP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000177890262 293154966 /nfs/dbraw/zinc/15/49/66/293154966.db2.gz WMNVCSLVSMSJRC-QKLQHJQFSA-N 2 1 334.504 3.056 20 0 EGADMP COc1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)c(OC)c1OC ZINC000352535188 295126426 /nfs/dbraw/zinc/12/64/26/295126426.db2.gz NSKULOOSKXTFHZ-UHFFFAOYSA-N 2 1 336.476 3.053 20 0 EGADMP [NH3+]CCC[N@@H+](CCc1nc(-c2ccccc2)no1)CC1CCCC1 ZINC000352504613 303377766 /nfs/dbraw/zinc/37/77/66/303377766.db2.gz SFUXBZABTDIXPJ-UHFFFAOYSA-N 2 1 328.460 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000073553391 307386743 /nfs/dbraw/zinc/38/67/43/307386743.db2.gz PUAFMEBEHMFUJZ-KRWDZBQOSA-N 2 1 342.487 3.033 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000073553391 307386744 /nfs/dbraw/zinc/38/67/44/307386744.db2.gz PUAFMEBEHMFUJZ-KRWDZBQOSA-N 2 1 342.487 3.033 20 0 EGADMP OC1CC[NH+](CCC[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414084137 309060157 /nfs/dbraw/zinc/06/01/57/309060157.db2.gz XLBKPCDHAVNUIH-FUHWJXTLSA-N 2 1 336.907 3.413 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1cccnc1 ZINC000414253281 309068828 /nfs/dbraw/zinc/06/88/28/309068828.db2.gz BJMWUXYOPRPCJO-IOMROCGXSA-N 2 1 339.483 3.269 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1cccnc1 ZINC000414253281 309068829 /nfs/dbraw/zinc/06/88/29/309068829.db2.gz BJMWUXYOPRPCJO-IOMROCGXSA-N 2 1 339.483 3.269 20 0 EGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NCc2c[nH+]c(N(C)C)n2C)cc1 ZINC000414307262 309071948 /nfs/dbraw/zinc/07/19/48/309071948.db2.gz YMUHVLBTPPAFPI-INIZCTEOSA-N 2 1 341.503 3.473 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NCc2c[nH+]c(N(C)C)n2C)cc1 ZINC000414307262 309071949 /nfs/dbraw/zinc/07/19/49/309071949.db2.gz YMUHVLBTPPAFPI-INIZCTEOSA-N 2 1 341.503 3.473 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccnc2)[C@@H](C)C1 ZINC000414329813 309073295 /nfs/dbraw/zinc/07/32/95/309073295.db2.gz IQQUMUIXUPYRPV-HKUYNNGSSA-N 2 1 333.520 3.086 20 0 EGADMP Cc1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nn1C ZINC000414369684 309075760 /nfs/dbraw/zinc/07/57/60/309075760.db2.gz VEXRMJAUWIAQRZ-HKUYNNGSSA-N 2 1 326.488 3.119 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000248556777 308005506 /nfs/dbraw/zinc/00/55/06/308005506.db2.gz IIENNQMFVKKVDF-PJVZLEMVSA-N 2 1 349.563 3.122 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000248556777 308005508 /nfs/dbraw/zinc/00/55/08/308005508.db2.gz IIENNQMFVKKVDF-PJVZLEMVSA-N 2 1 349.563 3.122 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248556361 308005533 /nfs/dbraw/zinc/00/55/33/308005533.db2.gz IIENNQMFVKKVDF-LFDJNIOPSA-N 2 1 349.563 3.122 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248556361 308005535 /nfs/dbraw/zinc/00/55/35/308005535.db2.gz IIENNQMFVKKVDF-LFDJNIOPSA-N 2 1 349.563 3.122 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248597245 308006776 /nfs/dbraw/zinc/00/67/76/308006776.db2.gz TXNZCTGLEMFMQJ-VBRUWADQSA-N 2 1 349.563 3.312 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248597245 308006777 /nfs/dbraw/zinc/00/67/77/308006777.db2.gz TXNZCTGLEMFMQJ-VBRUWADQSA-N 2 1 349.563 3.312 20 0 EGADMP CC[C@]1(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000248749961 308010618 /nfs/dbraw/zinc/01/06/18/308010618.db2.gz SZTBZQQOSYLOGX-DYESRHJHSA-N 2 1 343.515 3.067 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000293753368 308158764 /nfs/dbraw/zinc/15/87/64/308158764.db2.gz OHEJTRZINSCFFJ-OAHLLOKOSA-N 2 1 343.471 3.311 20 0 EGADMP CSc1ccc([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000295053630 308285766 /nfs/dbraw/zinc/28/57/66/308285766.db2.gz QMXICCLGONCIOW-LNLFQRSKSA-N 2 1 333.545 3.228 20 0 EGADMP O=C1CCC(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000295156681 308297466 /nfs/dbraw/zinc/29/74/66/308297466.db2.gz GAFHEUFTBSFNQZ-OAQYLSRUSA-N 2 1 326.484 3.344 20 0 EGADMP O=C1CCC(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000295156681 308297468 /nfs/dbraw/zinc/29/74/68/308297468.db2.gz GAFHEUFTBSFNQZ-OAQYLSRUSA-N 2 1 326.484 3.344 20 0 EGADMP O=C1CCC(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000295156681 308297470 /nfs/dbraw/zinc/29/74/70/308297470.db2.gz GAFHEUFTBSFNQZ-OAQYLSRUSA-N 2 1 326.484 3.344 20 0 EGADMP O=C1CCC(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000295156681 308297472 /nfs/dbraw/zinc/29/74/72/308297472.db2.gz GAFHEUFTBSFNQZ-OAQYLSRUSA-N 2 1 326.484 3.344 20 0 EGADMP C[C@H]1C[C@H](C[N@@H+](C)CCc2ccc(Br)cc2)CC[NH2+]1 ZINC000414696860 309096028 /nfs/dbraw/zinc/09/60/28/309096028.db2.gz QPNDBMZFTQJRIT-DZGCQCFKSA-N 2 1 325.294 3.312 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@H]([NH3+])C1CC1)C1CCCCC1 ZINC000414707602 309096531 /nfs/dbraw/zinc/09/65/31/309096531.db2.gz ICBXODNKLPELBB-SFHVURJKSA-N 2 1 344.503 3.310 20 0 EGADMP C[C@@H]1C[C@@H](C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000414695575 309095796 /nfs/dbraw/zinc/09/57/96/309095796.db2.gz PCZSSELIUOBRPX-NQIIRXRSSA-N 3 1 329.532 3.219 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000414772817 309099986 /nfs/dbraw/zinc/09/99/86/309099986.db2.gz CNLOPFUTYYMMCU-ZIAGYGMSSA-N 2 1 340.414 3.118 20 0 EGADMP FC(F)Oc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Cl ZINC000414769890 309099747 /nfs/dbraw/zinc/09/97/47/309099747.db2.gz OCINJOSZRCJRTI-BETUJISGSA-N 2 1 330.806 3.373 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]CCCn1cc[nH+]c1C ZINC000298320738 308603239 /nfs/dbraw/zinc/60/32/39/308603239.db2.gz IGBATOFTBZBPGH-UHFFFAOYSA-N 2 1 329.473 3.266 20 0 EGADMP CCOC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH+](CC)CC)nc1 ZINC000411555737 308944008 /nfs/dbraw/zinc/94/40/08/308944008.db2.gz WREYOWAQRXPVPN-IEBWSBKVSA-N 2 1 347.503 3.249 20 0 EGADMP [NH3+]C1(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CCC1 ZINC000414887803 309107517 /nfs/dbraw/zinc/10/75/17/309107517.db2.gz ZRMDWHZXXGTJDU-UHFFFAOYSA-N 2 1 335.192 3.022 20 0 EGADMP C[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414934069 309109989 /nfs/dbraw/zinc/10/99/89/309109989.db2.gz UYAODQRCILVSGF-DTWKUNHWSA-N 2 1 337.773 3.013 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000414998615 309113462 /nfs/dbraw/zinc/11/34/62/309113462.db2.gz IIFHHNNFNQEERV-WRTQPQOASA-N 3 1 327.516 3.004 20 0 EGADMP Fc1cccc(Cl)c1COc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415020415 309114667 /nfs/dbraw/zinc/11/46/67/309114667.db2.gz AVKHIJVELCPDTG-QWHZDKJVSA-N 2 1 346.833 3.366 20 0 EGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000415050505 309116590 /nfs/dbraw/zinc/11/65/90/309116590.db2.gz DAKXAJNBPIAMHF-OAHLLOKOSA-N 2 1 340.393 3.354 20 0 EGADMP C[N@@H+](Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1)C[C@H](O)C[NH3+] ZINC000415068270 309118192 /nfs/dbraw/zinc/11/81/92/309118192.db2.gz MFAHRAGBXVTMLU-LLVKDONJSA-N 2 1 345.295 3.473 20 0 EGADMP C[N@H+](Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1)C[C@H](O)C[NH3+] ZINC000415068270 309118193 /nfs/dbraw/zinc/11/81/93/309118193.db2.gz MFAHRAGBXVTMLU-LLVKDONJSA-N 2 1 345.295 3.473 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)CC[NH2+]1 ZINC000415094546 309119857 /nfs/dbraw/zinc/11/98/57/309119857.db2.gz KIAADGJTJNSRFO-IOASZLSFSA-N 2 1 338.293 3.369 20 0 EGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000415113539 309121133 /nfs/dbraw/zinc/12/11/33/309121133.db2.gz UIVLUEZQLKEEBL-SJORKVTESA-N 2 1 326.843 3.197 20 0 EGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(Cl)ccc3F)CC2)C1 ZINC000415123867 309122097 /nfs/dbraw/zinc/12/20/97/309122097.db2.gz LQYSRQSSMRTKFK-RDJZCZTQSA-N 2 1 326.843 3.197 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@@H]1C[NH3+] ZINC000415138283 309123302 /nfs/dbraw/zinc/12/33/02/309123302.db2.gz YUXZPYKIYJAYON-LPHOPBHVSA-N 2 1 325.456 3.077 20 0 EGADMP C[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000415899850 309146840 /nfs/dbraw/zinc/14/68/40/309146840.db2.gz KNLIBVBEDPUYJL-OAHLLOKOSA-N 2 1 332.492 3.038 20 0 EGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417316528 309201430 /nfs/dbraw/zinc/20/14/30/309201430.db2.gz UIWRXORPPNDVQN-BPQIPLTHSA-N 2 1 335.561 3.103 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)n(C)n1 ZINC000417884977 309226748 /nfs/dbraw/zinc/22/67/48/309226748.db2.gz XHBIWVACHHFUJO-CALCHBBNSA-N 2 1 340.515 3.496 20 0 EGADMP COc1ccc(CCC[N@@H+](C)C[C@@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC000420299480 309280077 /nfs/dbraw/zinc/28/00/77/309280077.db2.gz GQDWPHBGFKXIRC-LJQANCHMSA-N 2 1 342.483 3.311 20 0 EGADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1C ZINC000420306619 309280683 /nfs/dbraw/zinc/28/06/83/309280683.db2.gz QOKQLHUJIIFJRC-FKBYEOEOSA-N 2 1 338.495 3.371 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000420310026 309281078 /nfs/dbraw/zinc/28/10/78/309281078.db2.gz USIARKKIPSAWLZ-RTBURBONSA-N 2 1 340.467 3.236 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCSc2ccc(Cl)cc2)CC12CCOCC2 ZINC000420322727 309282160 /nfs/dbraw/zinc/28/21/60/309282160.db2.gz FEHRWQYYQQXUSJ-CQSZACIVSA-N 2 1 340.920 3.119 20 0 EGADMP Cc1ccc(-c2cnc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000420327960 309282519 /nfs/dbraw/zinc/28/25/19/309282519.db2.gz LXILKVUNLGVQQM-MSOLQXFVSA-N 2 1 325.456 3.472 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)ccc2o1 ZINC000420328943 309282714 /nfs/dbraw/zinc/28/27/14/309282714.db2.gz NOOLAVKWOPWYQV-JKSUJKDBSA-N 2 1 342.439 3.041 20 0 EGADMP c1csc(-c2noc(CCC[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420334803 309282811 /nfs/dbraw/zinc/28/28/11/309282811.db2.gz GNINZORRZPDGEK-HUUCEWRRSA-N 2 1 346.500 3.052 20 0 EGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420384281 309285499 /nfs/dbraw/zinc/28/54/99/309285499.db2.gz RLYRMJPUHFEGLM-DLBZAZTESA-N 2 1 333.867 3.178 20 0 EGADMP FC(F)(F)Oc1ccc(OCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420386809 309285662 /nfs/dbraw/zinc/28/56/62/309285662.db2.gz VRZANXHYJZTTIS-MRXNPFEDSA-N 2 1 344.377 3.040 20 0 EGADMP FC(F)(F)Oc1ccc(OCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420386809 309285663 /nfs/dbraw/zinc/28/56/63/309285663.db2.gz VRZANXHYJZTTIS-MRXNPFEDSA-N 2 1 344.377 3.040 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C[NH3+] ZINC000420396969 309286417 /nfs/dbraw/zinc/28/64/17/309286417.db2.gz FNZKVHNPVVVFAI-VQIMIIECSA-N 2 1 337.467 3.356 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(C)cc(C)c3)CC2)CC1 ZINC000420986729 309306098 /nfs/dbraw/zinc/30/60/98/309306098.db2.gz YQNTYLJKLZUCEW-UHFFFAOYSA-N 2 1 329.532 3.295 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc([C@@H]4C[C@@H]4C)o3)CC2)CC1 ZINC000421367211 309320878 /nfs/dbraw/zinc/32/08/78/309320878.db2.gz DWEQJGGERBQLOL-FXAWDEMLSA-N 2 1 345.531 3.395 20 0 EGADMP COC1([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000421398884 309322815 /nfs/dbraw/zinc/32/28/15/309322815.db2.gz GWHIJZLRXNZZEX-CMKODMSKSA-N 2 1 346.515 3.071 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422742508 309366254 /nfs/dbraw/zinc/36/62/54/309366254.db2.gz QBMTWMIYAICHJW-UWJYYQICSA-N 2 1 325.500 3.186 20 0 EGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422742508 309366255 /nfs/dbraw/zinc/36/62/55/309366255.db2.gz QBMTWMIYAICHJW-UWJYYQICSA-N 3 1 325.500 3.186 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422742508 309366256 /nfs/dbraw/zinc/36/62/56/309366256.db2.gz QBMTWMIYAICHJW-UWJYYQICSA-N 3 1 325.500 3.186 20 0 EGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)c1 ZINC000422742508 309366257 /nfs/dbraw/zinc/36/62/57/309366257.db2.gz QBMTWMIYAICHJW-UWJYYQICSA-N 2 1 325.500 3.186 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)c1 ZINC000422742508 309366258 /nfs/dbraw/zinc/36/62/58/309366258.db2.gz QBMTWMIYAICHJW-UWJYYQICSA-N 2 1 325.500 3.186 20 0 EGADMP c1cnn(-c2ccc(CC[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)cc2)c1 ZINC000422825942 309370458 /nfs/dbraw/zinc/37/04/58/309370458.db2.gz QFRUUCRYKORCMV-IFMALSPDSA-N 2 1 346.478 3.498 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000422829846 309370686 /nfs/dbraw/zinc/37/06/86/309370686.db2.gz VBAZRXWNWODMRQ-DLBZAZTESA-N 2 1 340.515 3.410 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000422829846 309370687 /nfs/dbraw/zinc/37/06/87/309370687.db2.gz VBAZRXWNWODMRQ-DLBZAZTESA-N 3 1 340.515 3.410 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000422829846 309370688 /nfs/dbraw/zinc/37/06/88/309370688.db2.gz VBAZRXWNWODMRQ-DLBZAZTESA-N 3 1 340.515 3.410 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422878681 309373492 /nfs/dbraw/zinc/37/34/92/309373492.db2.gz JPAMLSYJIHDWID-DBXWQHBBSA-N 3 1 329.532 3.396 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422878681 309373493 /nfs/dbraw/zinc/37/34/93/309373493.db2.gz JPAMLSYJIHDWID-DBXWQHBBSA-N 2 1 329.532 3.396 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422878681 309373494 /nfs/dbraw/zinc/37/34/94/309373494.db2.gz JPAMLSYJIHDWID-DBXWQHBBSA-N 2 1 329.532 3.396 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422886916 309374357 /nfs/dbraw/zinc/37/43/57/309374357.db2.gz AACBHWKTCHKDKE-PKOBYXMFSA-N 2 1 333.520 3.014 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000422895397 309374859 /nfs/dbraw/zinc/37/48/59/309374859.db2.gz VWDSSMOHXLVQMZ-ZSYWTGECSA-N 3 1 329.532 3.252 20 0 EGADMP C[C@H](NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000422895397 309374860 /nfs/dbraw/zinc/37/48/60/309374860.db2.gz VWDSSMOHXLVQMZ-ZSYWTGECSA-N 2 1 329.532 3.252 20 0 EGADMP C[C@H](NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000422895397 309374861 /nfs/dbraw/zinc/37/48/61/309374861.db2.gz VWDSSMOHXLVQMZ-ZSYWTGECSA-N 2 1 329.532 3.252 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422901619 309375248 /nfs/dbraw/zinc/37/52/48/309375248.db2.gz SIRQVDSEPODGTC-PXNSSMCTSA-N 2 1 338.499 3.120 20 0 EGADMP C[C@@H](NCc1ccccc1C[N@@H+](C)Cc1ccco1)[C@H]1CCC[NH2+]1 ZINC000423011107 309380831 /nfs/dbraw/zinc/38/08/31/309380831.db2.gz YZYAQYBMZFCVEP-OXQOHEQNSA-N 2 1 327.472 3.142 20 0 EGADMP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c(C)c1 ZINC000423074087 309384424 /nfs/dbraw/zinc/38/44/24/309384424.db2.gz TXLRUIQYYHBINL-VAMGGRTRSA-N 2 1 332.488 3.031 20 0 EGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(F)cc1Br ZINC000423101855 309386009 /nfs/dbraw/zinc/38/60/09/309386009.db2.gz DICVVGOVXXCMOQ-LKFCYVNXSA-N 2 1 333.220 3.334 20 0 EGADMP COc1ccc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c(Cl)c1OC ZINC000423130971 309387346 /nfs/dbraw/zinc/38/73/46/309387346.db2.gz HHRMAJXWAGGPGQ-OCCSQVGLSA-N 2 1 326.868 3.020 20 0 EGADMP COCCOCc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423136082 309387853 /nfs/dbraw/zinc/38/78/53/309387853.db2.gz GPRTVJMXNVWFDP-UXHICEINSA-N 2 1 326.440 3.084 20 0 EGADMP CC(C)OCCOC1CC[NH+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000423155506 309388653 /nfs/dbraw/zinc/38/86/53/309388653.db2.gz LGQHKQNLGNJGQA-FPOVZHCZSA-N 2 1 346.515 3.386 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423322579 309395190 /nfs/dbraw/zinc/39/51/90/309395190.db2.gz IVYVHKCZLUQDCV-UZLBHIALSA-N 2 1 337.467 3.101 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)CCC2 ZINC000423332182 309395542 /nfs/dbraw/zinc/39/55/42/309395542.db2.gz HBMVIUXQSBBOBM-LIRRHRJNSA-N 2 1 334.460 3.121 20 0 EGADMP COc1ccc(C[C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)c2ccc(OC)cc2)cc1 ZINC000423336528 309396028 /nfs/dbraw/zinc/39/60/28/309396028.db2.gz XTIDCUNGZZCNFB-NHCUHLMSSA-N 2 1 340.467 3.315 20 0 EGADMP CC(C)[C@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@@H](C)[NH3+] ZINC000423342650 309396091 /nfs/dbraw/zinc/39/60/91/309396091.db2.gz VDZLEJWRBJEPIQ-QKLQHJQFSA-N 2 1 345.531 3.297 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H](N[C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423357236 309396841 /nfs/dbraw/zinc/39/68/41/309396841.db2.gz LYAGSXOMFZMMHI-JSXRDJHFSA-N 2 1 327.516 3.019 20 0 EGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423365853 309397104 /nfs/dbraw/zinc/39/71/04/309397104.db2.gz KSIFDDUGGHBTRL-UAFONNFLSA-N 2 1 338.442 3.205 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)nnn1-c1cccc(Cl)c1 ZINC000423370183 309397521 /nfs/dbraw/zinc/39/75/21/309397521.db2.gz FGWGVWUHMZTRKL-GLQYFDAESA-N 2 1 333.867 3.150 20 0 EGADMP Cn1cc([C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)c2cccc(F)c2)cn1 ZINC000423401196 309398768 /nfs/dbraw/zinc/39/87/68/309398768.db2.gz VWNKNADVKYUESD-FQEVSTJZSA-N 2 1 336.414 3.042 20 0 EGADMP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423510305 309403925 /nfs/dbraw/zinc/40/39/25/309403925.db2.gz JMZOVFJEBDXANG-LRDDRELGSA-N 2 1 349.475 3.287 20 0 EGADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]([NH3+])c2ccccc2OC)c1 ZINC000430690280 309615014 /nfs/dbraw/zinc/61/50/14/309615014.db2.gz CSIIJPLSHUVMRX-IBGZPJMESA-N 2 1 341.455 3.176 20 0 EGADMP Cc1cc(C[NH+]2CCC([NH3+])CC2)cc(C)c1OCc1ccccn1 ZINC000435386874 309731016 /nfs/dbraw/zinc/73/10/16/309731016.db2.gz VUTHUEBFQSRWHG-UHFFFAOYSA-N 2 1 325.456 3.201 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000448234797 310000646 /nfs/dbraw/zinc/00/06/46/310000646.db2.gz RHQHYAPRCJZNGE-LSTHTHJFSA-N 2 1 337.467 3.028 20 0 EGADMP C[NH+](C)CC1CC[NH+](Cc2cccc(Br)c2F)CC1 ZINC000449011013 310028863 /nfs/dbraw/zinc/02/88/63/310028863.db2.gz NYLJKYIVWRLIIT-UHFFFAOYSA-N 2 1 329.257 3.362 20 0 EGADMP CCn1nnc(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000449081970 310035477 /nfs/dbraw/zinc/03/54/77/310035477.db2.gz JHYULBQNPPRMBH-MRXNPFEDSA-N 2 1 341.503 3.271 20 0 EGADMP CCn1nnc(C)c1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000449081970 310035478 /nfs/dbraw/zinc/03/54/78/310035478.db2.gz JHYULBQNPPRMBH-MRXNPFEDSA-N 2 1 341.503 3.271 20 0 EGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000449123793 310038799 /nfs/dbraw/zinc/03/87/99/310038799.db2.gz NTLJJAQKNHSBJI-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCC1 ZINC000449139277 310039695 /nfs/dbraw/zinc/03/96/95/310039695.db2.gz AIQLYRMTTIQOOR-VQTJNVASSA-N 2 1 343.515 3.052 20 0 EGADMP COc1cc(F)cc(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)c1 ZINC000449145298 310040231 /nfs/dbraw/zinc/04/02/31/310040231.db2.gz WUULGZUQTZMOTM-UHFFFAOYSA-N 2 1 329.419 3.296 20 0 EGADMP C[C@@H](CC(C)(C)C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000449145186 310040243 /nfs/dbraw/zinc/04/02/43/310040243.db2.gz KTSOIHWHPKWGIR-QFBILLFUSA-N 2 1 345.531 3.298 20 0 EGADMP COc1cc2ccccc2cc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000449282632 310050028 /nfs/dbraw/zinc/05/00/28/310050028.db2.gz IJDVOQBFDTXMBP-QGZVFWFLSA-N 2 1 342.483 3.439 20 0 EGADMP COc1cc2ccccc2cc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000449282632 310050029 /nfs/dbraw/zinc/05/00/29/310050029.db2.gz IJDVOQBFDTXMBP-QGZVFWFLSA-N 2 1 342.483 3.439 20 0 EGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449332094 310054165 /nfs/dbraw/zinc/05/41/65/310054165.db2.gz QALQSUQITUONJE-ROUUACIJSA-N 2 1 330.472 3.154 20 0 EGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449332094 310054166 /nfs/dbraw/zinc/05/41/66/310054166.db2.gz QALQSUQITUONJE-ROUUACIJSA-N 2 1 330.472 3.154 20 0 EGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449332094 310054167 /nfs/dbraw/zinc/05/41/67/310054167.db2.gz QALQSUQITUONJE-ROUUACIJSA-N 2 1 330.472 3.154 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CC3CCCCCC3)C2)CC1 ZINC000449491616 310066521 /nfs/dbraw/zinc/06/65/21/310066521.db2.gz ACBGLOILLDSZEM-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CC3CCCCCC3)C2)CC1 ZINC000449491616 310066522 /nfs/dbraw/zinc/06/65/22/310066522.db2.gz ACBGLOILLDSZEM-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CC3CCCCCC3)C2)CC1 ZINC000449491616 310066523 /nfs/dbraw/zinc/06/65/23/310066523.db2.gz ACBGLOILLDSZEM-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC000449491616 310066524 /nfs/dbraw/zinc/06/65/24/310066524.db2.gz ACBGLOILLDSZEM-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCOc1cc2[nH+]ccc(N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)c2cc1OCC ZINC000450782232 310142275 /nfs/dbraw/zinc/14/22/75/310142275.db2.gz WQJSUSCAQHWUTF-KBXCAEBGSA-N 2 1 341.455 3.173 20 0 EGADMP CO[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)CC1(C)C ZINC000451561651 310186519 /nfs/dbraw/zinc/18/65/19/310186519.db2.gz IHCKGAIJULOCCS-BTFXCVNISA-N 2 1 338.536 3.036 20 0 EGADMP C[C@H](CCCc1cccnc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000453105560 310258105 /nfs/dbraw/zinc/25/81/05/310258105.db2.gz WZIDPRKLDQSECA-GOSISDBHSA-N 2 1 331.504 3.027 20 0 EGADMP OCCCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453106380 310258417 /nfs/dbraw/zinc/25/84/17/310258417.db2.gz YTLHQHNNIPOMLT-XUVXKRRUSA-N 2 1 348.556 3.135 20 0 EGADMP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453137757 310260469 /nfs/dbraw/zinc/26/04/69/310260469.db2.gz CUYXEFXRFAVPSS-YVBRAAJESA-N 2 1 348.556 3.176 20 0 EGADMP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453137757 310260470 /nfs/dbraw/zinc/26/04/70/310260470.db2.gz CUYXEFXRFAVPSS-YVBRAAJESA-N 2 1 348.556 3.176 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cs1 ZINC000453194779 310263387 /nfs/dbraw/zinc/26/33/87/310263387.db2.gz ICACOMVRXUGNSY-DNVCBOLYSA-N 2 1 330.497 3.474 20 0 EGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccncc1 ZINC000453197568 310263495 /nfs/dbraw/zinc/26/34/95/310263495.db2.gz NEVGIHOXPKVPBS-RTWAWAEBSA-N 2 1 339.483 3.279 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccn2)[C@@H](C)C1 ZINC000453297664 310269762 /nfs/dbraw/zinc/26/97/62/310269762.db2.gz VEMBLAOPXDRCKP-ZWKOTPCHSA-N 2 1 333.520 3.086 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCOC3(CCC3)C2)[C@H](C)C1 ZINC000453310624 310270452 /nfs/dbraw/zinc/27/04/52/310270452.db2.gz FTESBLQJGQXSKT-QYZOEREBSA-N 2 1 338.536 3.062 20 0 EGADMP C[C@H](Cc1cnn(C)c1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453326981 310271142 /nfs/dbraw/zinc/27/11/42/310271142.db2.gz AUQFONXWJVLDRL-MDMXATFFSA-N 2 1 340.515 3.384 20 0 EGADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000453407399 310275434 /nfs/dbraw/zinc/27/54/34/310275434.db2.gz PSWATEGABIYURY-WRTQPQOASA-N 2 1 328.500 3.444 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455936480 310382807 /nfs/dbraw/zinc/38/28/07/310382807.db2.gz RZFZSOORVDXKTF-HKUYNNGSSA-N 2 1 344.503 3.184 20 0 EGADMP Cc1cc(N2CC[C@@H]([NH+]3CCOCC3)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000463071764 310608908 /nfs/dbraw/zinc/60/89/08/310608908.db2.gz LVTOBXDPPZWWPF-MRXNPFEDSA-N 2 1 345.874 3.416 20 0 EGADMP CC(C)(C)CC[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463239380 310610385 /nfs/dbraw/zinc/61/03/85/310610385.db2.gz YNNLYFKITWVZSV-FQEVSTJZSA-N 2 1 332.532 3.470 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488423860 311064827 /nfs/dbraw/zinc/06/48/27/311064827.db2.gz XBFMMQJBVKLQTL-IAGOWNOFSA-N 2 1 328.566 3.386 20 0 EGADMP O=C([C@@H]1CCCc2[nH+]ccn21)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000488884299 311083266 /nfs/dbraw/zinc/08/32/66/311083266.db2.gz YECWFVRWHXMMGF-SFHVURJKSA-N 2 1 344.503 3.018 20 0 EGADMP COCC[N@H+](C)CCC[NH2+][C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000489614581 311114723 /nfs/dbraw/zinc/11/47/23/311114723.db2.gz YYLOVQQPAIAYPF-KRWDZBQOSA-N 2 1 340.895 3.420 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000489614581 311114725 /nfs/dbraw/zinc/11/47/25/311114725.db2.gz YYLOVQQPAIAYPF-KRWDZBQOSA-N 2 1 340.895 3.420 20 0 EGADMP C[C@@H]([NH2+]CCN1CCC(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492349846 311240615 /nfs/dbraw/zinc/24/06/15/311240615.db2.gz HRDRHWJCGQGNOW-CTNGQTDRSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H](NCC[NH+]1CCC(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492349846 311240614 /nfs/dbraw/zinc/24/06/14/311240614.db2.gz HRDRHWJCGQGNOW-CTNGQTDRSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]([NH2+]CCN1CCC(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492349846 311240616 /nfs/dbraw/zinc/24/06/16/311240616.db2.gz HRDRHWJCGQGNOW-CTNGQTDRSA-N 2 1 329.532 3.219 20 0 EGADMP CC(C)C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)NC(=O)OC(C)(C)C ZINC000496060895 311655222 /nfs/dbraw/zinc/65/52/22/311655222.db2.gz KRLRLODAAFLVHN-MRXNPFEDSA-N 2 1 339.524 3.142 20 0 EGADMP CC(C)CC[NH+](CCC(C)C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000505853831 312036955 /nfs/dbraw/zinc/03/69/55/312036955.db2.gz VJLQTNGUNWTJAU-UHFFFAOYSA-N 2 1 347.551 3.123 20 0 EGADMP C[C@H](NCC[N@@H+](C)C1CCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709145 312100243 /nfs/dbraw/zinc/10/02/43/312100243.db2.gz FWFJCBYOJGYCOJ-ICSRJNTNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H](NCC[NH+](C)C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508709145 312100245 /nfs/dbraw/zinc/10/02/45/312100245.db2.gz FWFJCBYOJGYCOJ-ICSRJNTNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H](NCC[NH+](C)C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709145 312100247 /nfs/dbraw/zinc/10/02/47/312100247.db2.gz FWFJCBYOJGYCOJ-ICSRJNTNSA-N 3 1 329.532 3.361 20 0 EGADMP CCC(O)(CC)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512636683 312191103 /nfs/dbraw/zinc/19/11/03/312191103.db2.gz NFLHYYCYTNVKQC-HSALFYBXSA-N 2 1 330.516 3.428 20 0 EGADMP CCn1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000513500618 312212278 /nfs/dbraw/zinc/21/22/78/312212278.db2.gz NMYCHKXQALOCFO-PKOBYXMFSA-N 2 1 326.488 3.293 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(C)c1OC ZINC000515556596 312289357 /nfs/dbraw/zinc/28/93/57/312289357.db2.gz LZSQXDYWTNOADQ-DOTOQJQBSA-N 2 1 334.504 3.263 20 0 EGADMP C[C@@H]1C[NH+](CCCC[N@@H+]2C[C@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000516179441 312312859 /nfs/dbraw/zinc/31/28/59/312312859.db2.gz RPVTZMHKZMCNEN-HDICACEKSA-N 2 1 336.520 3.053 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC[NH+]2C[C@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000516179441 312312862 /nfs/dbraw/zinc/31/28/62/312312862.db2.gz RPVTZMHKZMCNEN-HDICACEKSA-N 2 1 336.520 3.053 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH+]2C[C@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000516179441 312312864 /nfs/dbraw/zinc/31/28/64/312312864.db2.gz RPVTZMHKZMCNEN-HDICACEKSA-N 2 1 336.520 3.053 20 0 EGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCC2CCCCC2)CC1 ZINC000517650922 312387227 /nfs/dbraw/zinc/38/72/27/312387227.db2.gz KQKXCMQCPASOHC-UHFFFAOYSA-N 2 1 330.476 3.132 20 0 EGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ncccc3Cl)CC2)C[C@@H](C)O1 ZINC000528365722 313074818 /nfs/dbraw/zinc/07/48/18/313074818.db2.gz CRHBIYOSWIAMSJ-HUUCEWRRSA-N 2 1 337.895 3.056 20 0 EGADMP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000528397369 313084048 /nfs/dbraw/zinc/08/40/48/313084048.db2.gz KBPBQSYQHBGZBI-MOPGFXCFSA-N 2 1 331.435 3.053 20 0 EGADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000528397369 313084050 /nfs/dbraw/zinc/08/40/50/313084050.db2.gz KBPBQSYQHBGZBI-MOPGFXCFSA-N 2 1 331.435 3.053 20 0 EGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Br)c(F)c1 ZINC000530513306 313549039 /nfs/dbraw/zinc/54/90/39/313549039.db2.gz FMJCZNPFLIKMEW-SNVBAGLBSA-N 2 1 326.213 3.215 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000535815237 314077349 /nfs/dbraw/zinc/07/73/49/314077349.db2.gz OHYHDCAWRFQGEZ-UHFFFAOYSA-N 2 1 340.309 3.396 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000535815237 314077352 /nfs/dbraw/zinc/07/73/52/314077352.db2.gz OHYHDCAWRFQGEZ-UHFFFAOYSA-N 2 1 340.309 3.396 20 0 EGADMP CC[C@@H](C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000536709315 314140525 /nfs/dbraw/zinc/14/05/25/314140525.db2.gz AQIXAZJUJQMGMM-PZJWPPBQSA-N 2 1 329.532 3.281 20 0 EGADMP C[C@H](CCc1ccccc1)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000539405296 314311231 /nfs/dbraw/zinc/31/12/31/314311231.db2.gz SSVDIAAQWXKVFE-AYWYSENESA-N 2 1 330.516 3.439 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](C)CCc3ccccc3)C2)CC1 ZINC000539405791 314312152 /nfs/dbraw/zinc/31/21/52/314312152.db2.gz MVVKHJQZNBPPSN-RBBKRZOGSA-N 2 1 343.559 3.356 20 0 EGADMP CCCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000539825023 314342765 /nfs/dbraw/zinc/34/27/65/314342765.db2.gz OODBHYLETUCXDM-FQEVSTJZSA-N 2 1 345.531 3.076 20 0 EGADMP C[NH+](C)CCc1ccc(NC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC000548389494 315002529 /nfs/dbraw/zinc/00/25/29/315002529.db2.gz BMKDLHSDBLHYPR-UHFFFAOYSA-N 2 1 331.504 3.384 20 0 EGADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[NH+]1CC(C)C1 ZINC000553327890 315258342 /nfs/dbraw/zinc/25/83/42/315258342.db2.gz VIVVYTGPDYYLQS-ROUUACIJSA-N 2 1 343.515 3.017 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000553781148 315281742 /nfs/dbraw/zinc/28/17/42/315281742.db2.gz ALOXJLBNLOFFPJ-CEXWTWQISA-N 2 1 337.552 3.077 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC34CCOCC4)CC2)cc1 ZINC000554560864 315332282 /nfs/dbraw/zinc/33/22/82/315332282.db2.gz FYNHFOFCMQTVKY-HXUWFJFHSA-N 2 1 328.500 3.242 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc(Cl)cc1 ZINC000563407665 316016288 /nfs/dbraw/zinc/01/62/88/316016288.db2.gz OYBNDVIHUXRALX-GOSISDBHSA-N 2 1 349.906 3.076 20 0 EGADMP C[NH+]1CCN(C[C@H]([NH2+]Cc2cc(Cl)cs2)c2ccccc2)CC1 ZINC000563813126 316073174 /nfs/dbraw/zinc/07/31/74/316073174.db2.gz FRAPTPLJUSXAFU-SFHVURJKSA-N 2 1 349.931 3.480 20 0 EGADMP OCC1([NH2+]CC2CC2)CC[NH+](CCCSCc2ccccc2)CC1 ZINC000565484155 316330534 /nfs/dbraw/zinc/33/05/34/316330534.db2.gz IEJBZUGZGLNAON-UHFFFAOYSA-N 2 1 348.556 3.136 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccccc2)[C@H]1c1cccs1 ZINC000565594122 316344724 /nfs/dbraw/zinc/34/47/24/316344724.db2.gz JJCLKEANPLHGKM-GGPKGHCWSA-N 2 1 344.524 3.324 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccccc2)[C@H]1c1cccs1 ZINC000565594122 316344727 /nfs/dbraw/zinc/34/47/27/316344727.db2.gz JJCLKEANPLHGKM-GGPKGHCWSA-N 2 1 344.524 3.324 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000565699015 316357774 /nfs/dbraw/zinc/35/77/74/316357774.db2.gz NYVIFRWUSWGLNR-KRWDZBQOSA-N 2 1 348.288 3.336 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c(F)c1 ZINC000565720104 316361897 /nfs/dbraw/zinc/36/18/97/316361897.db2.gz OHODKRRRSJICIZ-GOSISDBHSA-N 2 1 342.458 3.489 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(F)c1 ZINC000565720104 316361901 /nfs/dbraw/zinc/36/19/01/316361901.db2.gz OHODKRRRSJICIZ-GOSISDBHSA-N 2 1 342.458 3.489 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000565828646 316375037 /nfs/dbraw/zinc/37/50/37/316375037.db2.gz XNETTXPUFXSKPW-YOEHRIQHSA-N 2 1 344.421 3.321 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC000570386514 317047265 /nfs/dbraw/zinc/04/72/65/317047265.db2.gz WAOBUVXLJVAVKW-SESVDKBCSA-N 2 1 330.516 3.176 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000570386514 317047267 /nfs/dbraw/zinc/04/72/67/317047267.db2.gz WAOBUVXLJVAVKW-SESVDKBCSA-N 2 1 330.516 3.176 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000570386514 317047269 /nfs/dbraw/zinc/04/72/69/317047269.db2.gz WAOBUVXLJVAVKW-SESVDKBCSA-N 2 1 330.516 3.176 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000570797920 317109842 /nfs/dbraw/zinc/10/98/42/317109842.db2.gz PBIOFDMTLNCJEG-NSHGMRRFSA-N 2 1 345.531 3.341 20 0 EGADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000571164569 317159788 /nfs/dbraw/zinc/15/97/88/317159788.db2.gz NOADXJQUYUGRAC-HXUWFJFHSA-N 2 1 335.451 3.283 20 0 EGADMP C[C@@H]1C[C@H](NCc2n[nH]c(C(C)(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000571288565 317179220 /nfs/dbraw/zinc/17/92/20/317179220.db2.gz QGWSPAHFUGVWFI-NVXWUHKLSA-N 2 1 341.503 3.245 20 0 EGADMP Clc1ccc(-c2ccc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000571920690 317266220 /nfs/dbraw/zinc/26/62/20/317266220.db2.gz CZOVHDVZNFTOTH-QGZVFWFLSA-N 2 1 345.874 3.080 20 0 EGADMP Clc1cnc(NCC[NH2+]C2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000298553802 456489452 /nfs/dbraw/zinc/48/94/52/456489452.db2.gz VATIBFPCDGYEBZ-UHFFFAOYSA-N 2 1 329.275 3.017 20 0 EGADMP C[C@H](C[NH2+]Cc1cc(Br)c(Cl)s1)C[NH+](C)C ZINC000381115870 324245010 /nfs/dbraw/zinc/24/50/10/324245010.db2.gz HCZDVZBEUINYMN-MRVPVSSYSA-N 2 1 325.703 3.451 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000382731087 324252844 /nfs/dbraw/zinc/25/28/44/324252844.db2.gz BAKFVUDVFUGJOX-PKOBYXMFSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000382778699 324253854 /nfs/dbraw/zinc/25/38/54/324253854.db2.gz YFFKNOXWLFITRF-VQHPVUNQSA-N 2 1 339.524 3.094 20 0 EGADMP C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C1(C[NH3+])CCC1 ZINC000385223828 324261351 /nfs/dbraw/zinc/26/13/51/324261351.db2.gz RLCREXCBCCZXQY-UHFFFAOYSA-N 2 1 330.259 3.135 20 0 EGADMP C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C1(C[NH3+])CCC1 ZINC000385223828 324261353 /nfs/dbraw/zinc/26/13/53/324261353.db2.gz RLCREXCBCCZXQY-UHFFFAOYSA-N 2 1 330.259 3.135 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc(Cl)c1OC ZINC000385750697 324263955 /nfs/dbraw/zinc/26/39/55/324263955.db2.gz FUSDNTUIKPVUFF-ZDUSSCGKSA-N 2 1 326.868 3.177 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc(Cl)c1OC ZINC000385750697 324263958 /nfs/dbraw/zinc/26/39/58/324263958.db2.gz FUSDNTUIKPVUFF-ZDUSSCGKSA-N 2 1 326.868 3.177 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC[C@@H]1CCCC[NH+]1C ZINC000397985285 324294657 /nfs/dbraw/zinc/29/46/57/324294657.db2.gz ODTYVCMIDANMRG-HLAWJBBLSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCC[C@@H]1CCCC[N@@H+]1C ZINC000397985285 324294661 /nfs/dbraw/zinc/29/46/61/324294661.db2.gz ODTYVCMIDANMRG-HLAWJBBLSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCC[C@@H]1CCCC[N@H+]1C ZINC000397985285 324294665 /nfs/dbraw/zinc/29/46/65/324294665.db2.gz ODTYVCMIDANMRG-HLAWJBBLSA-N 2 1 329.532 3.361 20 0 EGADMP COC(=O)CC[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000577634495 324840595 /nfs/dbraw/zinc/84/05/95/324840595.db2.gz QVLWOAHONJGXRQ-SFHVURJKSA-N 2 1 336.520 3.495 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000579255109 325086053 /nfs/dbraw/zinc/08/60/53/325086053.db2.gz NRSQXPRTLDCBEJ-PMACEKPBSA-N 2 1 346.515 3.072 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000579255109 325086056 /nfs/dbraw/zinc/08/60/56/325086056.db2.gz NRSQXPRTLDCBEJ-PMACEKPBSA-N 2 1 346.515 3.072 20 0 EGADMP Fc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1F ZINC000579717571 325150030 /nfs/dbraw/zinc/15/00/30/325150030.db2.gz DHJDPMSXZPBTSN-CABCVRRESA-N 2 1 347.409 3.441 20 0 EGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000580827860 325299604 /nfs/dbraw/zinc/29/96/04/325299604.db2.gz XCAPOSQTKXSVLH-MOPGFXCFSA-N 2 1 338.455 3.084 20 0 EGADMP FC(F)(F)c1ccccc1[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000580893157 325306136 /nfs/dbraw/zinc/30/61/36/325306136.db2.gz IVAXJWJGUIOOBG-KRWDZBQOSA-N 2 1 341.421 3.138 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000581487585 325365511 /nfs/dbraw/zinc/36/55/11/325365511.db2.gz XEPWHPWIMGEJNG-UCLAIMLFSA-N 2 1 340.471 3.266 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC000469480491 458576492 /nfs/dbraw/zinc/57/64/92/458576492.db2.gz VKQCJXDGVSBQHC-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP COC[C@H](Cc1ccccc1)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183184830 455246217 /nfs/dbraw/zinc/24/62/17/455246217.db2.gz YULRGIMLWWNZHB-HOJAQTOUSA-N 2 1 330.516 3.487 20 0 EGADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cccc(F)c2F)CC1 ZINC000183222820 455254074 /nfs/dbraw/zinc/25/40/74/455254074.db2.gz ZUPWDXUIXYTXED-OAHLLOKOSA-N 2 1 325.447 3.033 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000158016938 455259727 /nfs/dbraw/zinc/25/97/27/455259727.db2.gz BYSOEZXPKJGLLN-UHFFFAOYSA-N 2 1 345.531 3.134 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000264707449 455267909 /nfs/dbraw/zinc/26/79/09/455267909.db2.gz ANRQWWQCEPDUPT-CYBMUJFWSA-N 2 1 348.459 3.062 20 0 EGADMP CCn1nccc1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245693517 455357918 /nfs/dbraw/zinc/35/79/18/455357918.db2.gz BVTJWNUBEDAENI-PKOBYXMFSA-N 2 1 326.488 3.388 20 0 EGADMP COc1ccc(OCCC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081636066 453898752 /nfs/dbraw/zinc/89/87/52/453898752.db2.gz BUMDUWPCZWQIIB-SFHVURJKSA-N 2 1 332.488 3.128 20 0 EGADMP COc1ccc(OCCC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000081636066 453898753 /nfs/dbraw/zinc/89/87/53/453898753.db2.gz BUMDUWPCZWQIIB-SFHVURJKSA-N 2 1 332.488 3.128 20 0 EGADMP COc1ccc(OCCC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000081636066 453898755 /nfs/dbraw/zinc/89/87/55/453898755.db2.gz BUMDUWPCZWQIIB-SFHVURJKSA-N 2 1 332.488 3.128 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)sc1C ZINC000081670334 453902738 /nfs/dbraw/zinc/90/27/38/453902738.db2.gz WFBDDUCVBLBPTJ-KBPBESRZSA-N 2 1 337.533 3.081 20 0 EGADMP OCc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)o1 ZINC000174384630 455385302 /nfs/dbraw/zinc/38/53/02/455385302.db2.gz UZFUSSLDQPSDEP-UHFFFAOYSA-N 2 1 328.456 3.438 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000089427123 454148122 /nfs/dbraw/zinc/14/81/22/454148122.db2.gz DUDBUYOIKJFACX-OAQYLSRUSA-N 3 1 329.532 3.315 20 0 EGADMP C[NH+](Cc1ccccc1)CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000089427123 454148126 /nfs/dbraw/zinc/14/81/26/454148126.db2.gz DUDBUYOIKJFACX-OAQYLSRUSA-N 3 1 329.532 3.315 20 0 EGADMP C[NH+](Cc1ccccc1)CC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000089427123 454148128 /nfs/dbraw/zinc/14/81/28/454148128.db2.gz DUDBUYOIKJFACX-OAQYLSRUSA-N 3 1 329.532 3.315 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC1CCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000089427123 454148132 /nfs/dbraw/zinc/14/81/32/454148132.db2.gz DUDBUYOIKJFACX-OAQYLSRUSA-N 2 1 329.532 3.315 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000089427123 454148133 /nfs/dbraw/zinc/14/81/33/454148133.db2.gz DUDBUYOIKJFACX-OAQYLSRUSA-N 2 1 329.532 3.315 20 0 EGADMP C[NH+](Cc1ccccc1)CC1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000089427123 454148138 /nfs/dbraw/zinc/14/81/38/454148138.db2.gz DUDBUYOIKJFACX-OAQYLSRUSA-N 2 1 329.532 3.315 20 0 EGADMP C[NH+](Cc1ccccc1)CC1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000089427123 454148141 /nfs/dbraw/zinc/14/81/41/454148141.db2.gz DUDBUYOIKJFACX-OAQYLSRUSA-N 2 1 329.532 3.315 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC000246048836 455418080 /nfs/dbraw/zinc/41/80/80/455418080.db2.gz PUMPRDCJUUWWHO-NHYWBVRUSA-N 2 1 329.257 3.408 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC000246048836 455418088 /nfs/dbraw/zinc/41/80/88/455418088.db2.gz PUMPRDCJUUWWHO-NHYWBVRUSA-N 2 1 329.257 3.408 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1Br ZINC000070534415 454169282 /nfs/dbraw/zinc/16/92/82/454169282.db2.gz HHCQFGBXCIOUCL-LBPRGKRZSA-N 2 1 327.266 3.019 20 0 EGADMP CCn1nccc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000119336824 454188360 /nfs/dbraw/zinc/18/83/60/454188360.db2.gz VEYRPNGDIZWOBN-UHFFFAOYSA-N 2 1 338.455 3.418 20 0 EGADMP C[NH+]1CCN(CCCC[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000119630821 454209480 /nfs/dbraw/zinc/20/94/80/454209480.db2.gz UUCSBRUZNCVISE-UHFFFAOYSA-N 2 1 327.472 3.064 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000132709578 454359926 /nfs/dbraw/zinc/35/99/26/454359926.db2.gz PKHWKMGIKFERFQ-FQEVSTJZSA-N 2 1 327.472 3.245 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000132709578 454359931 /nfs/dbraw/zinc/35/99/31/454359931.db2.gz PKHWKMGIKFERFQ-FQEVSTJZSA-N 2 1 327.472 3.245 20 0 EGADMP CC(C)[NH+](CCNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)C(C)C ZINC000079121905 454371464 /nfs/dbraw/zinc/37/14/64/454371464.db2.gz YIWGVGDQVJWRND-GOSISDBHSA-N 2 1 340.556 3.059 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000062427011 454376618 /nfs/dbraw/zinc/37/66/18/454376618.db2.gz MMIKGQDBNIMWDC-KRWDZBQOSA-N 2 1 344.478 3.448 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000062427011 454376622 /nfs/dbraw/zinc/37/66/22/454376622.db2.gz MMIKGQDBNIMWDC-KRWDZBQOSA-N 2 1 344.478 3.448 20 0 EGADMP Cc1[nH+]c2ccccc2c(N2CCC([N@@H+](C)CCCO)CC2)c1C ZINC000097085961 454404486 /nfs/dbraw/zinc/40/44/86/454404486.db2.gz OWDLAVHVMUCEDZ-UHFFFAOYSA-N 2 1 327.472 3.135 20 0 EGADMP CC(C)[N@H+]1CCCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000073334343 454423582 /nfs/dbraw/zinc/42/35/82/454423582.db2.gz HYSAOJABUYYQLR-UHFFFAOYSA-N 2 1 338.455 3.382 20 0 EGADMP COc1ccc([C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C(C)C)cc1 ZINC000091333134 454427789 /nfs/dbraw/zinc/42/77/89/454427789.db2.gz QWSQFEFGHBAIFS-NRFANRHFSA-N 2 1 347.547 3.256 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC000073549299 454449456 /nfs/dbraw/zinc/44/94/56/454449456.db2.gz FZOVHWJGXDIMTR-UHFFFAOYSA-N 2 1 345.531 3.263 20 0 EGADMP CC[N@@H+](CCNCc1ccccc1N(C)C1CC[NH+](C)CC1)C(C)C ZINC000133644171 454450101 /nfs/dbraw/zinc/45/01/01/454450101.db2.gz JGFZCQMWZKZKMI-UHFFFAOYSA-N 2 1 346.563 3.037 20 0 EGADMP CCN(CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)C(C)C ZINC000133644171 454450104 /nfs/dbraw/zinc/45/01/04/454450104.db2.gz JGFZCQMWZKZKMI-UHFFFAOYSA-N 2 1 346.563 3.037 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073947360 454505414 /nfs/dbraw/zinc/50/54/14/454505414.db2.gz LKXRNPOZMUMXEQ-KXBFYZLASA-N 2 1 338.455 3.237 20 0 EGADMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc(Cl)c1OC ZINC000092253593 454541965 /nfs/dbraw/zinc/54/19/65/454541965.db2.gz SIPWPJXSVKFVAE-CYBMUJFWSA-N 2 1 326.868 3.131 20 0 EGADMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc(Cl)c1OC ZINC000092253593 454541970 /nfs/dbraw/zinc/54/19/70/454541970.db2.gz SIPWPJXSVKFVAE-CYBMUJFWSA-N 2 1 326.868 3.131 20 0 EGADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc(Cl)c1OC ZINC000092253593 454541974 /nfs/dbraw/zinc/54/19/74/454541974.db2.gz SIPWPJXSVKFVAE-CYBMUJFWSA-N 2 1 326.868 3.131 20 0 EGADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc(Cl)c1OC ZINC000092253593 454541977 /nfs/dbraw/zinc/54/19/77/454541977.db2.gz SIPWPJXSVKFVAE-CYBMUJFWSA-N 2 1 326.868 3.131 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2csc(Cl)c2)CC1 ZINC000191171313 455457860 /nfs/dbraw/zinc/45/78/60/455457860.db2.gz DFTVJYHLQMPYBV-AWEZNQCLSA-N 2 1 329.941 3.470 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000123170566 454610477 /nfs/dbraw/zinc/61/04/77/454610477.db2.gz WVHNFORIRHSYEJ-SFTDATJTSA-N 2 1 343.559 3.432 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000092766655 454629430 /nfs/dbraw/zinc/62/94/30/454629430.db2.gz WBNKLMFWBDROLT-CFVMTHIKSA-N 2 1 325.522 3.164 20 0 EGADMP CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000135094951 454633357 /nfs/dbraw/zinc/63/33/57/454633357.db2.gz NUHVRSJZPUGELT-SFHVURJKSA-N 2 1 330.472 3.170 20 0 EGADMP CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000135094951 454633364 /nfs/dbraw/zinc/63/33/64/454633364.db2.gz NUHVRSJZPUGELT-SFHVURJKSA-N 2 1 330.472 3.170 20 0 EGADMP FC(F)(F)COc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000065889313 454635696 /nfs/dbraw/zinc/63/56/96/454635696.db2.gz ADNNXNOTGQRQSY-UHFFFAOYSA-N 2 1 328.378 3.344 20 0 EGADMP CCCOc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)ccc1OC ZINC000105443671 454639186 /nfs/dbraw/zinc/63/91/86/454639186.db2.gz SXXSXLMDOFEKOW-HNNXBMFYSA-N 2 1 331.460 3.415 20 0 EGADMP CCc1cnc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000092820912 454639279 /nfs/dbraw/zinc/63/92/79/454639279.db2.gz ZAMBEQDKDCWBIS-UHFFFAOYSA-N 2 1 328.460 3.371 20 0 EGADMP CCc1cnc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000092820912 454639281 /nfs/dbraw/zinc/63/92/81/454639281.db2.gz ZAMBEQDKDCWBIS-UHFFFAOYSA-N 2 1 328.460 3.371 20 0 EGADMP CCc1noc([C@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092821558 454641686 /nfs/dbraw/zinc/64/16/86/454641686.db2.gz CRRVFAVHUHNSPW-HNNXBMFYSA-N 2 1 343.475 3.327 20 0 EGADMP CCc1noc([C@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092821558 454641690 /nfs/dbraw/zinc/64/16/90/454641690.db2.gz CRRVFAVHUHNSPW-HNNXBMFYSA-N 2 1 343.475 3.327 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC000634999411 460645393 /nfs/dbraw/zinc/64/53/93/460645393.db2.gz UKEVIUHNGMDLTA-QFBILLFUSA-N 2 1 340.467 3.301 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000066046240 454653518 /nfs/dbraw/zinc/65/35/18/454653518.db2.gz JMDSJHHZZQMNBF-QWFCFKBJSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[NH+](C)C ZINC000106432687 454694771 /nfs/dbraw/zinc/69/47/71/454694771.db2.gz WALHRJXKPBDOBU-VQIMIIECSA-N 2 1 331.504 3.443 20 0 EGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cnc2ccsc2c1 ZINC000124496910 454740443 /nfs/dbraw/zinc/74/04/43/454740443.db2.gz SCFZMKYIBSDBKG-HNNXBMFYSA-N 2 1 346.544 3.221 20 0 EGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc2ccccc2o1 ZINC000124527281 454745121 /nfs/dbraw/zinc/74/51/21/454745121.db2.gz KESHSMSFPLXNJG-MRXNPFEDSA-N 2 1 329.488 3.357 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000162162563 454755870 /nfs/dbraw/zinc/75/58/70/454755870.db2.gz FXWMPLCUJXFKOS-CJNGLKHVSA-N 2 1 337.305 3.411 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000124687526 454760476 /nfs/dbraw/zinc/76/04/76/454760476.db2.gz DSUNOAMJWIFKFP-BEBTZSGWSA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124687526 454760480 /nfs/dbraw/zinc/76/04/80/454760480.db2.gz DSUNOAMJWIFKFP-BEBTZSGWSA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124687526 454760483 /nfs/dbraw/zinc/76/04/83/454760483.db2.gz DSUNOAMJWIFKFP-BEBTZSGWSA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010456 460653584 /nfs/dbraw/zinc/65/35/84/460653584.db2.gz LSNZCLGSRVBDMM-JPYJTQIMSA-N 3 1 349.522 3.333 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010456 460653591 /nfs/dbraw/zinc/65/35/91/460653591.db2.gz LSNZCLGSRVBDMM-JPYJTQIMSA-N 2 1 349.522 3.333 20 0 EGADMP C[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000138087935 454788537 /nfs/dbraw/zinc/78/85/37/454788537.db2.gz WYIJTXVFLMDYFV-MSOLQXFVSA-N 2 1 326.488 3.293 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000153387284 454788531 /nfs/dbraw/zinc/78/85/31/454788531.db2.gz FJSUZDIGIXXQEI-MNEFBYGVSA-N 2 1 335.923 3.407 20 0 EGADMP CC(C)[C@@H](C[NH2+]C1CCN(CC(F)F)CC1)[NH+]1CCC(C)CC1 ZINC000153408299 454791290 /nfs/dbraw/zinc/79/12/90/454791290.db2.gz UBFHEDWEVIITKP-QGZVFWFLSA-N 2 1 331.495 3.062 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000163112598 454824452 /nfs/dbraw/zinc/82/44/52/454824452.db2.gz NMTBAFDHJWPTID-GYSYKLTISA-N 2 1 331.291 3.119 20 0 EGADMP COc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000177189100 454834251 /nfs/dbraw/zinc/83/42/51/454834251.db2.gz PHAKHXKZYWTPHB-QGZVFWFLSA-N 2 1 340.467 3.378 20 0 EGADMP COc1ccc(Oc2cc(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)ccn2)cc1 ZINC000163437898 454847321 /nfs/dbraw/zinc/84/73/21/454847321.db2.gz NWZVRDKGWBTVMW-NVXWUHKLSA-N 2 1 341.455 3.455 20 0 EGADMP CN(CC[N@@H+](C)Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000177380090 454858134 /nfs/dbraw/zinc/85/81/34/454858134.db2.gz IWILOODWOTXFQE-UHFFFAOYSA-N 2 1 343.437 3.163 20 0 EGADMP C[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000177429997 454863597 /nfs/dbraw/zinc/86/35/97/454863597.db2.gz ZJWNCFWLHYKYQG-BBWFWOEESA-N 2 1 335.536 3.161 20 0 EGADMP Cc1nc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cs1 ZINC000177483407 454868784 /nfs/dbraw/zinc/86/87/84/454868784.db2.gz UIFWAGDMHROPHY-HUUCEWRRSA-N 2 1 337.533 3.163 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000163930034 454869588 /nfs/dbraw/zinc/86/95/88/454869588.db2.gz HVJYAKLHDQNPAD-WIYYLYMNSA-N 3 1 329.532 3.492 20 0 EGADMP CC[N@@H+]1CC[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000163930034 454869591 /nfs/dbraw/zinc/86/95/91/454869591.db2.gz HVJYAKLHDQNPAD-WIYYLYMNSA-N 2 1 329.532 3.492 20 0 EGADMP CC[N@H+]1CC[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000163930034 454869595 /nfs/dbraw/zinc/86/95/95/454869595.db2.gz HVJYAKLHDQNPAD-WIYYLYMNSA-N 2 1 329.532 3.492 20 0 EGADMP CCN1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000163930034 454869598 /nfs/dbraw/zinc/86/95/98/454869598.db2.gz HVJYAKLHDQNPAD-WIYYLYMNSA-N 2 1 329.532 3.492 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](c2ccccc2C)C(C)C)CC1 ZINC000112412237 454886548 /nfs/dbraw/zinc/88/65/48/454886548.db2.gz HINKFGHQXCUZRT-OAQYLSRUSA-N 2 1 345.531 3.224 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000154533512 454904823 /nfs/dbraw/zinc/90/48/23/454904823.db2.gz NPFXNIOZTOGKKP-OAHLLOKOSA-N 2 1 330.394 3.401 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000154533512 454904828 /nfs/dbraw/zinc/90/48/28/454904828.db2.gz NPFXNIOZTOGKKP-OAHLLOKOSA-N 2 1 330.394 3.401 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000154533512 454904833 /nfs/dbraw/zinc/90/48/33/454904833.db2.gz NPFXNIOZTOGKKP-OAHLLOKOSA-N 2 1 330.394 3.401 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNC[C@@H]1CCC[N@H+]1C ZINC000166364119 454910422 /nfs/dbraw/zinc/91/04/22/454910422.db2.gz KDOBUIUFIIAVGO-KRWDZBQOSA-N 2 1 332.879 3.326 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNC[C@@H]1CCC[N@@H+]1C ZINC000166364119 454910427 /nfs/dbraw/zinc/91/04/27/454910427.db2.gz KDOBUIUFIIAVGO-KRWDZBQOSA-N 2 1 332.879 3.326 20 0 EGADMP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126903640 454925640 /nfs/dbraw/zinc/92/56/40/454925640.db2.gz ZGWHMDRKWCLOIG-CRAIPNDOSA-N 2 1 344.528 3.361 20 0 EGADMP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126903640 454925643 /nfs/dbraw/zinc/92/56/43/454925643.db2.gz ZGWHMDRKWCLOIG-CRAIPNDOSA-N 2 1 344.528 3.361 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000178077694 454932828 /nfs/dbraw/zinc/93/28/28/454932828.db2.gz KPUREXYSPFVRFC-AZUAARDMSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)c2cccn2C)CC1 ZINC000151170424 454947379 /nfs/dbraw/zinc/94/73/79/454947379.db2.gz HJUPLMBFZXZRSU-QGZVFWFLSA-N 2 1 331.504 3.184 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)c2cccn2C)CC1 ZINC000151170424 454947383 /nfs/dbraw/zinc/94/73/83/454947383.db2.gz HJUPLMBFZXZRSU-QGZVFWFLSA-N 2 1 331.504 3.184 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccccc1Cl ZINC000178816769 454981180 /nfs/dbraw/zinc/98/11/80/454981180.db2.gz YVIDPZFOOXYPPH-MSOLQXFVSA-N 2 1 345.874 3.149 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(Cc3nnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000155359297 454991549 /nfs/dbraw/zinc/99/15/49/454991549.db2.gz UUBPNCJGFUMZAP-CVEARBPZSA-N 2 1 328.485 3.121 20 0 EGADMP C[C@@H](CNC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC000116396047 455055144 /nfs/dbraw/zinc/05/51/44/455055144.db2.gz KQAXAVDLLUSSQV-LNLFQRSKSA-N 2 1 347.547 3.251 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H](NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000156170375 455089599 /nfs/dbraw/zinc/08/95/99/455089599.db2.gz UZGVGHBYRPVBEI-NRSPTQNISA-N 2 1 347.547 3.016 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](c2ccccc2)N(C)C)[C@H](C)C1 ZINC000156170375 455089601 /nfs/dbraw/zinc/08/96/01/455089601.db2.gz UZGVGHBYRPVBEI-NRSPTQNISA-N 2 1 347.547 3.016 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](c2ccccc2)N(C)C)[C@H](C)C1 ZINC000156170375 455089602 /nfs/dbraw/zinc/08/96/02/455089602.db2.gz UZGVGHBYRPVBEI-NRSPTQNISA-N 2 1 347.547 3.016 20 0 EGADMP CN(CC(=O)Nc1ccccc1C(C)(C)C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152376265 455109463 /nfs/dbraw/zinc/10/94/63/455109463.db2.gz UAIVUADQCWZPOW-INIZCTEOSA-N 2 1 331.504 3.196 20 0 EGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657484 460664868 /nfs/dbraw/zinc/66/48/68/460664868.db2.gz RNMGGTJDENSUKT-SFHVURJKSA-N 2 1 326.488 3.311 20 0 EGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657484 460664876 /nfs/dbraw/zinc/66/48/76/460664876.db2.gz RNMGGTJDENSUKT-SFHVURJKSA-N 2 1 326.488 3.311 20 0 EGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000623657479 460665086 /nfs/dbraw/zinc/66/50/86/460665086.db2.gz RMPPQRQXQWBXQK-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000623657479 460665088 /nfs/dbraw/zinc/66/50/88/460665088.db2.gz RMPPQRQXQWBXQK-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP CCCCNC(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156945125 455158057 /nfs/dbraw/zinc/15/80/57/455158057.db2.gz JXHHDUSXFPBJNJ-QUCCMNQESA-N 2 1 345.531 3.278 20 0 EGADMP CCCCNC(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156945125 455158060 /nfs/dbraw/zinc/15/80/60/455158060.db2.gz JXHHDUSXFPBJNJ-QUCCMNQESA-N 2 1 345.531 3.278 20 0 EGADMP CCCCNC(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156945125 455158061 /nfs/dbraw/zinc/15/80/61/455158061.db2.gz JXHHDUSXFPBJNJ-QUCCMNQESA-N 2 1 345.531 3.278 20 0 EGADMP CCCCNC(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156945125 455158064 /nfs/dbraw/zinc/15/80/64/455158064.db2.gz JXHHDUSXFPBJNJ-QUCCMNQESA-N 2 1 345.531 3.278 20 0 EGADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000157013689 455161452 /nfs/dbraw/zinc/16/14/52/455161452.db2.gz MBRIFZFGNLDZGO-GHTZIAJQSA-N 3 1 329.532 3.348 20 0 EGADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)C[C@@H]2C)CC1 ZINC000157013689 455161455 /nfs/dbraw/zinc/16/14/55/455161455.db2.gz MBRIFZFGNLDZGO-GHTZIAJQSA-N 2 1 329.532 3.348 20 0 EGADMP CC(C)N1CCC([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000180403796 455164323 /nfs/dbraw/zinc/16/43/23/455164323.db2.gz KIKNXJKZODOFAY-QGZVFWFLSA-N 2 1 333.520 3.150 20 0 EGADMP CC(C)[NH+]1CCC(N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000180403796 455164325 /nfs/dbraw/zinc/16/43/25/455164325.db2.gz KIKNXJKZODOFAY-QGZVFWFLSA-N 2 1 333.520 3.150 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000623657080 460665851 /nfs/dbraw/zinc/66/58/51/460665851.db2.gz JHMXZHVAXHBCGY-HLAWJBBLSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000623657080 460665858 /nfs/dbraw/zinc/66/58/58/460665858.db2.gz JHMXZHVAXHBCGY-HLAWJBBLSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000623657080 460665863 /nfs/dbraw/zinc/66/58/63/460665863.db2.gz JHMXZHVAXHBCGY-HLAWJBBLSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000623657080 460665869 /nfs/dbraw/zinc/66/58/69/460665869.db2.gz JHMXZHVAXHBCGY-HLAWJBBLSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000623657080 460665874 /nfs/dbraw/zinc/66/58/74/460665874.db2.gz JHMXZHVAXHBCGY-HLAWJBBLSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000623657080 460665879 /nfs/dbraw/zinc/66/58/79/460665879.db2.gz JHMXZHVAXHBCGY-HLAWJBBLSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000623657080 460665884 /nfs/dbraw/zinc/66/58/84/460665884.db2.gz JHMXZHVAXHBCGY-HLAWJBBLSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000623657080 460665890 /nfs/dbraw/zinc/66/58/90/460665890.db2.gz JHMXZHVAXHBCGY-HLAWJBBLSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000623657080 460665893 /nfs/dbraw/zinc/66/58/93/460665893.db2.gz JHMXZHVAXHBCGY-HLAWJBBLSA-N 3 1 329.532 3.361 20 0 EGADMP O=C(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccc(F)cc1 ZINC000157158637 455169396 /nfs/dbraw/zinc/16/93/96/455169396.db2.gz ZMNOGKNYBBUSJO-GOSISDBHSA-N 2 1 333.451 3.105 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2ccccc2)n1 ZINC000180471016 455176515 /nfs/dbraw/zinc/17/65/15/455176515.db2.gz IVOHKMXGUOWKHJ-GOSISDBHSA-N 2 1 338.499 3.395 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2ccccc2)n1 ZINC000180471016 455176519 /nfs/dbraw/zinc/17/65/19/455176519.db2.gz IVOHKMXGUOWKHJ-GOSISDBHSA-N 2 1 338.499 3.395 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000180486748 455180229 /nfs/dbraw/zinc/18/02/29/455180229.db2.gz SVDPMLOPGMJJFS-HNNXBMFYSA-N 2 1 332.517 3.312 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000180486748 455180233 /nfs/dbraw/zinc/18/02/33/455180233.db2.gz SVDPMLOPGMJJFS-HNNXBMFYSA-N 2 1 332.517 3.312 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000237721008 455211739 /nfs/dbraw/zinc/21/17/39/455211739.db2.gz PEVVDAGLESNBHO-PKOBYXMFSA-N 2 1 331.504 3.095 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000245442826 455301689 /nfs/dbraw/zinc/30/16/89/455301689.db2.gz WQKBPUVPRBJJKW-HUUCEWRRSA-N 2 1 337.895 3.331 20 0 EGADMP CC[N@@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000245442763 455302226 /nfs/dbraw/zinc/30/22/26/455302226.db2.gz IHMYMNLVRZOFNM-HUUCEWRRSA-N 2 1 337.895 3.249 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000173675402 455326629 /nfs/dbraw/zinc/32/66/29/455326629.db2.gz MIRMLWLOPVOUPP-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1nc(-c2ccccc2)no1 ZINC000245582387 455335017 /nfs/dbraw/zinc/33/50/17/455335017.db2.gz HXTNYHYQTLHDPK-JYYAWHABSA-N 2 1 328.460 3.158 20 0 EGADMP CCC[C@H](NC(=O)CN1CC[C@@H](C[N@@H+](C)CCC)C1)c1ccccc1 ZINC000246167938 455439637 /nfs/dbraw/zinc/43/96/37/455439637.db2.gz IVRXKROOHIWEJW-ICSRJNTNSA-N 2 1 345.531 3.308 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000246275305 455462949 /nfs/dbraw/zinc/46/29/49/455462949.db2.gz MDBROHLIDFPDPC-FCGDIQPGSA-N 2 1 337.552 3.158 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000246913603 455535536 /nfs/dbraw/zinc/53/55/36/455535536.db2.gz FZSYLXUAIYJGIV-XJKSGUPXSA-N 2 1 330.394 3.404 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000247023756 455545438 /nfs/dbraw/zinc/54/54/38/455545438.db2.gz KZHNHHVNHPWSGC-ZHALLVOQSA-N 2 1 334.504 3.229 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247023756 455545442 /nfs/dbraw/zinc/54/54/42/455545442.db2.gz KZHNHHVNHPWSGC-ZHALLVOQSA-N 2 1 334.504 3.229 20 0 EGADMP Fc1cc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000192036552 455546585 /nfs/dbraw/zinc/54/65/85/455546585.db2.gz RAYMYJGJRKEJLZ-AWEZNQCLSA-N 2 1 326.843 3.276 20 0 EGADMP Fc1cc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000192036552 455546590 /nfs/dbraw/zinc/54/65/90/455546590.db2.gz RAYMYJGJRKEJLZ-AWEZNQCLSA-N 2 1 326.843 3.276 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247033836 455547556 /nfs/dbraw/zinc/54/75/56/455547556.db2.gz MJEDBDOVXAOAHP-AZUAARDMSA-N 2 1 347.547 3.227 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247033836 455547560 /nfs/dbraw/zinc/54/75/60/455547560.db2.gz MJEDBDOVXAOAHP-AZUAARDMSA-N 3 1 347.547 3.227 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247033836 455547565 /nfs/dbraw/zinc/54/75/65/455547565.db2.gz MJEDBDOVXAOAHP-AZUAARDMSA-N 3 1 347.547 3.227 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(-n3ccnc3)cc2C)CC1 ZINC000192055791 455549718 /nfs/dbraw/zinc/54/97/18/455549718.db2.gz HBSFYGNEACSHAJ-UHFFFAOYSA-N 2 1 326.488 3.487 20 0 EGADMP C[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H](C)[NH3+] ZINC000192101245 455557482 /nfs/dbraw/zinc/55/74/82/455557482.db2.gz SWTRSGKOWROQPV-CVEARBPZSA-N 2 1 331.504 3.051 20 0 EGADMP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000192101229 455557648 /nfs/dbraw/zinc/55/76/48/455557648.db2.gz SWTRSGKOWROQPV-JKSUJKDBSA-N 2 1 331.504 3.051 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)[C@@H](C)C1 ZINC000247085813 455557713 /nfs/dbraw/zinc/55/77/13/455557713.db2.gz RGFXADUSJZYPMT-UWJYYQICSA-N 2 1 340.515 3.433 20 0 EGADMP CC1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)cn2)CC1 ZINC000247111167 455560209 /nfs/dbraw/zinc/56/02/09/455560209.db2.gz QOXNWQITPWYTFF-ZHALLVOQSA-N 2 1 330.520 3.136 20 0 EGADMP CC1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)cn2)CC1 ZINC000247111167 455560214 /nfs/dbraw/zinc/56/02/14/455560214.db2.gz QOXNWQITPWYTFF-ZHALLVOQSA-N 2 1 330.520 3.136 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185677187 455594172 /nfs/dbraw/zinc/59/41/72/455594172.db2.gz RPINJMKNWRQZFX-IKGGRYGDSA-N 2 1 335.536 3.066 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185677187 455594175 /nfs/dbraw/zinc/59/41/75/455594175.db2.gz RPINJMKNWRQZFX-IKGGRYGDSA-N 2 1 335.536 3.066 20 0 EGADMP C[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)N1CCCCCC1 ZINC000185705684 455601202 /nfs/dbraw/zinc/60/12/02/455601202.db2.gz JOHLDQXYYIGYRP-BZSNNMDCSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N1CCCCCC1 ZINC000185705684 455601204 /nfs/dbraw/zinc/60/12/04/455601204.db2.gz JOHLDQXYYIGYRP-BZSNNMDCSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)N1CCCCCC1 ZINC000185705684 455601210 /nfs/dbraw/zinc/60/12/10/455601210.db2.gz JOHLDQXYYIGYRP-BZSNNMDCSA-N 2 1 335.536 3.020 20 0 EGADMP COc1cccc2c1CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000192440808 455617429 /nfs/dbraw/zinc/61/74/29/455617429.db2.gz KBAMJVNCNSDFOV-ZIFCJYIRSA-N 2 1 346.515 3.032 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CCCO1 ZINC000277668874 455629348 /nfs/dbraw/zinc/62/93/48/455629348.db2.gz FZKHZPLEBPBIJR-CYBMUJFWSA-N 2 1 348.384 3.435 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CCCO1 ZINC000277668874 455629352 /nfs/dbraw/zinc/62/93/52/455629352.db2.gz FZKHZPLEBPBIJR-CYBMUJFWSA-N 2 1 348.384 3.435 20 0 EGADMP Oc1cccc2c1CCC[C@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000284144538 455642811 /nfs/dbraw/zinc/64/28/11/455642811.db2.gz OXBLAVJQVSMNSG-GOSISDBHSA-N 2 1 330.472 3.004 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(F)cc(F)c1 ZINC000271468958 455648736 /nfs/dbraw/zinc/64/87/36/455648736.db2.gz HAWGRVQPTMLNHJ-FASAQXTFSA-N 2 1 338.442 3.383 20 0 EGADMP CCOc1cc(CCC[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1OC ZINC000247991190 455667793 /nfs/dbraw/zinc/66/77/93/455667793.db2.gz JJYFMUIPQBIICR-WMZOPIPTSA-N 2 1 334.504 3.346 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000248025785 455671811 /nfs/dbraw/zinc/67/18/11/455671811.db2.gz OYLUBSWEJYGJMH-STXHMFSFSA-N 2 1 326.488 3.307 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000248025785 455671818 /nfs/dbraw/zinc/67/18/18/455671818.db2.gz OYLUBSWEJYGJMH-STXHMFSFSA-N 2 1 326.488 3.307 20 0 EGADMP C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000271532267 455675074 /nfs/dbraw/zinc/67/50/74/455675074.db2.gz RIKNXMLFGGEEIU-KSSFIOAISA-N 2 1 328.460 3.078 20 0 EGADMP COc1ccsc1[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000186085982 455690557 /nfs/dbraw/zinc/69/05/57/455690557.db2.gz IXOORFCFBHNILG-HNNXBMFYSA-N 2 1 346.496 3.440 20 0 EGADMP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC[C@@H]3CCCC[N@@H+]3C)ccc2NC1=O ZINC000271714692 455730526 /nfs/dbraw/zinc/73/05/26/455730526.db2.gz KGIGNBRVXMYJKQ-HFTRVMKXSA-N 2 1 345.487 3.321 20 0 EGADMP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC[C@@H]3CCCC[N@H+]3C)ccc2NC1=O ZINC000271714692 455730534 /nfs/dbraw/zinc/73/05/34/455730534.db2.gz KGIGNBRVXMYJKQ-HFTRVMKXSA-N 2 1 345.487 3.321 20 0 EGADMP CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(OC)cc1 ZINC000268938966 455736703 /nfs/dbraw/zinc/73/67/03/455736703.db2.gz SGXNATZVKRGTAT-QUCCMNQESA-N 2 1 334.504 3.363 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000284846242 455751403 /nfs/dbraw/zinc/75/14/03/455751403.db2.gz RGRPDZAKIIHBTL-HOTGVXAUSA-N 2 1 338.293 3.369 20 0 EGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000271798954 455764082 /nfs/dbraw/zinc/76/40/82/455764082.db2.gz KTQXWRXMWHXJCX-UHFFFAOYSA-N 2 1 326.488 3.392 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000271798954 455764088 /nfs/dbraw/zinc/76/40/88/455764088.db2.gz KTQXWRXMWHXJCX-UHFFFAOYSA-N 2 1 326.488 3.392 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000249770127 455776099 /nfs/dbraw/zinc/77/60/99/455776099.db2.gz AWLKVBGFAAUYIX-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP COc1cc([C@@H](C)NCC[C@H]2CCCC[N@H+]2C)cc(OC)c1OC ZINC000271837795 455781547 /nfs/dbraw/zinc/78/15/47/455781547.db2.gz XYUOENULIYOFEY-GDBMZVCRSA-N 2 1 336.476 3.237 20 0 EGADMP COc1cc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cc(OC)c1OC ZINC000271837795 455781551 /nfs/dbraw/zinc/78/15/51/455781551.db2.gz XYUOENULIYOFEY-GDBMZVCRSA-N 2 1 336.476 3.237 20 0 EGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000250286350 455786621 /nfs/dbraw/zinc/78/66/21/455786621.db2.gz LTIAWZOKDSRLMR-KZNAEPCWSA-N 2 1 333.495 3.377 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000285100009 455789044 /nfs/dbraw/zinc/78/90/44/455789044.db2.gz QRPSHRDWGDTHAW-SFHVURJKSA-N 2 1 343.515 3.020 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000285100002 455789143 /nfs/dbraw/zinc/78/91/43/455789143.db2.gz QRPSHRDWGDTHAW-GOSISDBHSA-N 2 1 343.515 3.020 20 0 EGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271859054 455789185 /nfs/dbraw/zinc/78/91/85/455789185.db2.gz ILNAXPJSHDZIMU-UHFFFAOYSA-N 2 1 330.863 3.186 20 0 EGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271859054 455789188 /nfs/dbraw/zinc/78/91/88/455789188.db2.gz ILNAXPJSHDZIMU-UHFFFAOYSA-N 2 1 330.863 3.186 20 0 EGADMP Cn1nc(-c2ccccc2)c(C[NH2+]CC2=CC[N@@H+](C)CC2)c1Cl ZINC000271944012 455801481 /nfs/dbraw/zinc/80/14/81/455801481.db2.gz ZHKZCSUIXBQLGS-UHFFFAOYSA-N 2 1 330.863 3.092 20 0 EGADMP O[C@@H](C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000285409143 455839730 /nfs/dbraw/zinc/83/97/30/455839730.db2.gz DABVKKQUFOCKKK-VXKWHMMOSA-N 2 1 336.479 3.318 20 0 EGADMP O[C@@H](C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000285409143 455839736 /nfs/dbraw/zinc/83/97/36/455839736.db2.gz DABVKKQUFOCKKK-VXKWHMMOSA-N 2 1 336.479 3.318 20 0 EGADMP O[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000285409143 455839742 /nfs/dbraw/zinc/83/97/42/455839742.db2.gz DABVKKQUFOCKKK-VXKWHMMOSA-N 2 1 336.479 3.318 20 0 EGADMP C[C@@H](Cn1cccn1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285430270 455843415 /nfs/dbraw/zinc/84/34/15/455843415.db2.gz YOIFSLNYYSDVHL-KKXNLOMOSA-N 2 1 326.488 3.304 20 0 EGADMP C[C@H](Cn1ccnc1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285482221 455854900 /nfs/dbraw/zinc/85/49/00/455854900.db2.gz BOXNFKUUBCHVJY-QHGAOEGBSA-N 2 1 326.488 3.304 20 0 EGADMP C[C@H](C[S@](C)=O)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000285490274 455857343 /nfs/dbraw/zinc/85/73/43/455857343.db2.gz AHBMSKPEKOERHG-DQDQTZLSSA-N 2 1 348.556 3.034 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272191928 455871850 /nfs/dbraw/zinc/87/18/50/455871850.db2.gz MKJPZFRZWMFXHV-XLIONFOSSA-N 2 1 338.499 3.148 20 0 EGADMP C[C@@H]([NH2+]Cc1cnc(N(C)C)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272194157 455873036 /nfs/dbraw/zinc/87/30/36/455873036.db2.gz NDXHEQIQWBCHFU-NVXWUHKLSA-N 2 1 344.528 3.209 20 0 EGADMP C[C@@H]([NH2+]Cc1cnc(N(C)C)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272194157 455873038 /nfs/dbraw/zinc/87/30/38/455873038.db2.gz NDXHEQIQWBCHFU-NVXWUHKLSA-N 2 1 344.528 3.209 20 0 EGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](CCO[C@@H]4CCCCO4)C3)C2)cc1 ZINC000285751088 455909375 /nfs/dbraw/zinc/90/93/75/455909375.db2.gz YUZGFWYIJMWGRL-NHCUHLMSSA-N 2 1 344.499 3.128 20 0 EGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CCO[C@@H]4CCCCO4)C3)C2)cc1 ZINC000285751088 455909379 /nfs/dbraw/zinc/90/93/79/455909379.db2.gz YUZGFWYIJMWGRL-NHCUHLMSSA-N 2 1 344.499 3.128 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CCO[C@@H]4CCCCO4)C3)C2)cc1 ZINC000285751088 455909383 /nfs/dbraw/zinc/90/93/83/455909383.db2.gz YUZGFWYIJMWGRL-NHCUHLMSSA-N 2 1 344.499 3.128 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CCO[C@@H]4CCCCO4)C3)C2)cc1 ZINC000285751088 455909387 /nfs/dbraw/zinc/90/93/87/455909387.db2.gz YUZGFWYIJMWGRL-NHCUHLMSSA-N 2 1 344.499 3.128 20 0 EGADMP C[C@@H]1COCC[C@H]1Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000195104928 455922187 /nfs/dbraw/zinc/92/21/87/455922187.db2.gz MUKKSINCLXJTQJ-OXQOHEQNSA-N 2 1 331.504 3.302 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000261780643 455946361 /nfs/dbraw/zinc/94/63/61/455946361.db2.gz MYOZRZWJCUZMGH-NRFANRHFSA-N 2 1 339.483 3.448 20 0 EGADMP CC[N@@H+](Cc1ccc(-c2nc(C3([NH3+])CCCC3)no2)cc1)C1CC1 ZINC000261873109 455962633 /nfs/dbraw/zinc/96/26/33/455962633.db2.gz VLXXGOIKQACMEZ-UHFFFAOYSA-N 2 1 326.444 3.449 20 0 EGADMP Cc1cnccc1NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272477033 455963383 /nfs/dbraw/zinc/96/33/83/455963383.db2.gz SJZPFFAKJMXCPB-WMZOPIPTSA-N 2 1 338.455 3.422 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000261887638 455966313 /nfs/dbraw/zinc/96/63/13/455966313.db2.gz VMIZXRLZIFZEOH-IAGOWNOFSA-N 2 1 329.488 3.389 20 0 EGADMP c1ccc([C@@H]2C[N@H+](CCC[NH+]3CCCCC3)[C@H]3CCOC[C@H]23)cc1 ZINC000286059547 455969813 /nfs/dbraw/zinc/96/98/13/455969813.db2.gz RLGKVHBKURRKKB-HBMCJLEFSA-N 2 1 328.500 3.367 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000272514326 455977879 /nfs/dbraw/zinc/97/78/79/455977879.db2.gz GTAKECQCVSUDDD-UYAOXDASSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000272514326 455977883 /nfs/dbraw/zinc/97/78/83/455977883.db2.gz GTAKECQCVSUDDD-UYAOXDASSA-N 3 1 329.532 3.361 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CCC[C@H](C[NH3+])C3)CCC2)c1 ZINC000262094926 455997271 /nfs/dbraw/zinc/99/72/71/455997271.db2.gz HSJGQAZUUOAQDT-GOSISDBHSA-N 2 1 332.488 3.053 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCN2CCSCC2)CC1 ZINC000286204973 455999440 /nfs/dbraw/zinc/99/94/40/455999440.db2.gz RVKPTVMNWTZWMO-UHFFFAOYSA-N 2 1 347.572 3.068 20 0 EGADMP COCc1cccc(OCC2(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)CCC2)c1 ZINC000262196498 456010480 /nfs/dbraw/zinc/01/04/80/456010480.db2.gz ZOZFWYFLEIEQJL-LJQANCHMSA-N 2 1 346.515 3.456 20 0 EGADMP C[NH+](C)CCC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000272705308 456046923 /nfs/dbraw/zinc/04/69/23/456046923.db2.gz VXYRTYJPIZVRCU-DLBZAZTESA-N 2 1 333.476 3.239 20 0 EGADMP Cc1ccncc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000272730679 456054348 /nfs/dbraw/zinc/05/43/48/456054348.db2.gz IJVZIFXBNRRKHN-YLJYHZDGSA-N 2 1 339.483 3.198 20 0 EGADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCc3nc4ccccc4n3C)C2)[nH+]1 ZINC000225403304 456079705 /nfs/dbraw/zinc/07/97/05/456079705.db2.gz CYMCOPFKVZQTGR-QGZVFWFLSA-N 2 1 349.482 3.253 20 0 EGADMP Cc1cccc(NC[C@H]2CC[N@H+](CCc3nc4ccccc4n3C)C2)[nH+]1 ZINC000225403304 456079713 /nfs/dbraw/zinc/07/97/13/456079713.db2.gz CYMCOPFKVZQTGR-QGZVFWFLSA-N 2 1 349.482 3.253 20 0 EGADMP C[C@H]([NH2+]CCCOC1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272847192 456089800 /nfs/dbraw/zinc/08/98/00/456089800.db2.gz SFRPQAWMCCBQMX-ICSRJNTNSA-N 2 1 346.515 3.072 20 0 EGADMP Cc1nc(C)c(C)c(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000301448556 456119470 /nfs/dbraw/zinc/11/94/70/456119470.db2.gz RILBPPXDDMLHLE-UHFFFAOYSA-N 2 1 328.435 3.253 20 0 EGADMP CC1CC[NH+](C[C@@H](O)CNc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000301522873 456136096 /nfs/dbraw/zinc/13/60/96/456136096.db2.gz GKOPOSTURGSNEI-HNNXBMFYSA-N 2 1 333.863 3.393 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000273195124 456210914 /nfs/dbraw/zinc/21/09/14/456210914.db2.gz IULHXVUWMIIFFM-CVEARBPZSA-N 2 1 347.503 3.185 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189148969 456240384 /nfs/dbraw/zinc/24/03/84/456240384.db2.gz ZNIPHEZWIWOFAS-YADHBBJMSA-N 2 1 343.559 3.261 20 0 EGADMP C[NH+](C)Cc1cc(NC(=O)C2CC[NH+](C3CC3)CC2)ccc1Cl ZINC000281572679 456268519 /nfs/dbraw/zinc/26/85/19/456268519.db2.gz LNFLQVMUQQRTRI-UHFFFAOYSA-N 2 1 335.879 3.215 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H](Nc2nc(C)nc3c2CCCC3)[C@H](C)C1 ZINC000302063195 456278135 /nfs/dbraw/zinc/27/81/35/456278135.db2.gz USNWVNTZTRQNKM-CRAIPNDOSA-N 2 1 346.519 3.213 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281630978 456278950 /nfs/dbraw/zinc/27/89/50/456278950.db2.gz OHCZGLWNPIAKNF-AQNXPRMDSA-N 2 1 347.478 3.029 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc4c(c3)COC(C)(C)O4)C2)CC1 ZINC000290290609 456280714 /nfs/dbraw/zinc/28/07/14/456280714.db2.gz AJOBHPZSXUNWSJ-GOSISDBHSA-N 2 1 344.499 3.495 20 0 EGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1c[nH]nc1-c1cccnc1 ZINC000290326829 456291953 /nfs/dbraw/zinc/29/19/53/456291953.db2.gz DKJOEMOYFBEICP-UHFFFAOYSA-N 2 1 338.459 3.143 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c[nH]nc1-c1cccnc1 ZINC000290326829 456291957 /nfs/dbraw/zinc/29/19/57/456291957.db2.gz DKJOEMOYFBEICP-UHFFFAOYSA-N 2 1 338.459 3.143 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c[nH]nc1-c1cccnc1 ZINC000290326829 456291961 /nfs/dbraw/zinc/29/19/61/456291961.db2.gz DKJOEMOYFBEICP-UHFFFAOYSA-N 2 1 338.459 3.143 20 0 EGADMP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000275708637 456293403 /nfs/dbraw/zinc/29/34/03/456293403.db2.gz MPBQFUQKTYKYPF-LJQANCHMSA-N 2 1 329.492 3.038 20 0 EGADMP COc1ccccc1[C@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290351740 456301892 /nfs/dbraw/zinc/30/18/92/456301892.db2.gz QEFRNPGRBSJADS-INIZCTEOSA-N 2 1 343.471 3.272 20 0 EGADMP C[C@H]1C[C@H]([NH2+][C@H](CO)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000275760600 456306357 /nfs/dbraw/zinc/30/63/57/456306357.db2.gz SUUJOKQMAXMTCY-BWAGFHJFSA-N 2 1 338.495 3.233 20 0 EGADMP C[C@H]1C[C@H]([NH2+][C@H](CO)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000275760600 456306363 /nfs/dbraw/zinc/30/63/63/456306363.db2.gz SUUJOKQMAXMTCY-BWAGFHJFSA-N 2 1 338.495 3.233 20 0 EGADMP Cc1noc(C)c1CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336793337 456309570 /nfs/dbraw/zinc/30/95/70/456309570.db2.gz WHUYMGQLFBOXGZ-PMACEKPBSA-N 2 1 339.483 3.288 20 0 EGADMP Cc1noc(C)c1CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336793337 456309581 /nfs/dbraw/zinc/30/95/81/456309581.db2.gz WHUYMGQLFBOXGZ-PMACEKPBSA-N 2 1 339.483 3.288 20 0 EGADMP Cc1noc(C)c1CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336793337 456309588 /nfs/dbraw/zinc/30/95/88/456309588.db2.gz WHUYMGQLFBOXGZ-PMACEKPBSA-N 2 1 339.483 3.288 20 0 EGADMP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000275808122 456320139 /nfs/dbraw/zinc/32/01/39/456320139.db2.gz IHVLGAACUKRNOJ-LJQANCHMSA-N 2 1 329.488 3.136 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc[nH+]cc1C(N)=O ZINC000302228245 456322935 /nfs/dbraw/zinc/32/29/35/456322935.db2.gz QTEAEHWDIRSPRC-HNNXBMFYSA-N 2 1 338.455 3.167 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccccc2)C[C@@H]1C ZINC000342935905 456324500 /nfs/dbraw/zinc/32/45/00/456324500.db2.gz CBSVGIWEKHYOAG-QFBILLFUSA-N 2 1 326.488 3.392 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccccc2)C[C@@H]1C ZINC000342935905 456324506 /nfs/dbraw/zinc/32/45/06/456324506.db2.gz CBSVGIWEKHYOAG-QFBILLFUSA-N 2 1 326.488 3.392 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccccc2)C[C@@H]1C ZINC000342935905 456324511 /nfs/dbraw/zinc/32/45/11/456324511.db2.gz CBSVGIWEKHYOAG-QFBILLFUSA-N 2 1 326.488 3.392 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccccc2)C[C@@H]1C ZINC000342935905 456324520 /nfs/dbraw/zinc/32/45/20/456324520.db2.gz CBSVGIWEKHYOAG-QFBILLFUSA-N 2 1 326.488 3.392 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc4c3OCCCO4)C2)CC1 ZINC000290427424 456325480 /nfs/dbraw/zinc/32/54/80/456325480.db2.gz LEPPREZBNIGXDE-KRWDZBQOSA-N 2 1 330.472 3.012 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1OC(C)C ZINC000290434543 456328243 /nfs/dbraw/zinc/32/82/43/456328243.db2.gz LMRABXKUVYWESS-MSOLQXFVSA-N 2 1 332.488 3.399 20 0 EGADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1OC(C)C ZINC000290434543 456328246 /nfs/dbraw/zinc/32/82/46/456328246.db2.gz LMRABXKUVYWESS-MSOLQXFVSA-N 2 1 332.488 3.399 20 0 EGADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1OC(C)C ZINC000290434543 456328253 /nfs/dbraw/zinc/32/82/53/456328253.db2.gz LMRABXKUVYWESS-MSOLQXFVSA-N 2 1 332.488 3.399 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000290534367 456355469 /nfs/dbraw/zinc/35/54/69/456355469.db2.gz VMECDDYYLYAMEQ-INIZCTEOSA-N 2 1 341.503 3.434 20 0 EGADMP COCC[C@@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000337528204 456359323 /nfs/dbraw/zinc/35/93/23/456359323.db2.gz SROJDANNOSTURX-PKOBYXMFSA-N 2 1 338.536 3.205 20 0 EGADMP CSC1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000340303441 456375292 /nfs/dbraw/zinc/37/52/92/456375292.db2.gz PKIFXCJKGMRRJF-ZWKOTPCHSA-N 2 1 334.529 3.324 20 0 EGADMP CSC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000340303441 456375301 /nfs/dbraw/zinc/37/53/01/456375301.db2.gz PKIFXCJKGMRRJF-ZWKOTPCHSA-N 2 1 334.529 3.324 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccccc2OC)[C@@H](C)C1 ZINC000276191396 456409062 /nfs/dbraw/zinc/40/90/62/456409062.db2.gz IEWVUPDBISYVOW-ICSRJNTNSA-N 2 1 348.531 3.354 20 0 EGADMP Cc1ccccc1-n1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)nn1 ZINC000347860825 456410948 /nfs/dbraw/zinc/41/09/48/456410948.db2.gz KCBXRNYWSLBGSO-UHFFFAOYSA-N 2 1 341.503 3.130 20 0 EGADMP C[C@H]([NH2+]CC[S@](=O)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347957008 456428402 /nfs/dbraw/zinc/42/84/02/456428402.db2.gz MXXBEOGWYUQEOM-QQMNAOGKSA-N 2 1 334.529 3.037 20 0 EGADMP C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348009434 456436049 /nfs/dbraw/zinc/43/60/49/456436049.db2.gz OJNTZMIFMJOKSB-SCWSEQNSSA-N 2 1 342.458 3.359 20 0 EGADMP C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348009434 456436054 /nfs/dbraw/zinc/43/60/54/456436054.db2.gz OJNTZMIFMJOKSB-SCWSEQNSSA-N 2 1 342.458 3.359 20 0 EGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000282191629 456438303 /nfs/dbraw/zinc/43/83/03/456438303.db2.gz NIZTUVQZVYGVKP-QMMLZNLJSA-N 2 1 346.515 3.202 20 0 EGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000282191629 456438312 /nfs/dbraw/zinc/43/83/12/456438312.db2.gz NIZTUVQZVYGVKP-QMMLZNLJSA-N 2 1 346.515 3.202 20 0 EGADMP c1cc(COc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)ccn1 ZINC000340413321 456445886 /nfs/dbraw/zinc/44/58/86/456445886.db2.gz DAXWCWUOOYVEGB-PMACEKPBSA-N 2 1 337.467 3.377 20 0 EGADMP CCn1cc(CC[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000276356215 456454292 /nfs/dbraw/zinc/45/42/92/456454292.db2.gz XLLNOJJJEQZFRX-UHFFFAOYSA-N 2 1 340.515 3.290 20 0 EGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282357880 456488817 /nfs/dbraw/zinc/48/88/17/456488817.db2.gz PPOBIPRUBJMNAQ-CQSZACIVSA-N 2 1 339.911 3.025 20 0 EGADMP CCCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000340494582 456492067 /nfs/dbraw/zinc/49/20/67/456492067.db2.gz FGDHCKPSUFWKLR-ROUUACIJSA-N 2 1 345.531 3.313 20 0 EGADMP Clc1ccc(-c2noc(CC[NH2+]C3CC[NH+](C4CC4)CC3)n2)cc1 ZINC000298564708 456492141 /nfs/dbraw/zinc/49/21/41/456492141.db2.gz WKQCKZDZGPKVII-UHFFFAOYSA-N 2 1 346.862 3.149 20 0 EGADMP Brc1ccc(OCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298565932 456492226 /nfs/dbraw/zinc/49/22/26/456492226.db2.gz WOTZKVQOTWVANA-UHFFFAOYSA-N 2 1 339.277 3.044 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@@H]1SC ZINC000298571869 456493219 /nfs/dbraw/zinc/49/32/19/456493219.db2.gz XCXDEXOZCRHQDL-NXHRZFHOSA-N 2 1 349.475 3.318 20 0 EGADMP C[C@@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccncc1F ZINC000340511050 456500871 /nfs/dbraw/zinc/50/08/71/456500871.db2.gz YGXXZQIGWLGUSD-SJLPKXTDSA-N 2 1 343.446 3.162 20 0 EGADMP Cc1cc(C)n(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000282407013 456504301 /nfs/dbraw/zinc/50/43/01/456504301.db2.gz FTIILQVIJZHFBT-HXUWFJFHSA-N 2 1 340.515 3.390 20 0 EGADMP Cc1cc(C)n(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000282407013 456504304 /nfs/dbraw/zinc/50/43/04/456504304.db2.gz FTIILQVIJZHFBT-HXUWFJFHSA-N 2 1 340.515 3.390 20 0 EGADMP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000291082679 456522327 /nfs/dbraw/zinc/52/23/27/456522327.db2.gz GRYDEECJAOMHKT-RHSMWYFYSA-N 2 1 342.405 3.157 20 0 EGADMP O[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000291082679 456522332 /nfs/dbraw/zinc/52/23/32/456522332.db2.gz GRYDEECJAOMHKT-RHSMWYFYSA-N 2 1 342.405 3.157 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH+]1CCCC[C@@H]1C)c1ccccc1 ZINC000340586148 456549609 /nfs/dbraw/zinc/54/96/09/456549609.db2.gz KIPCLKOIRNPTQE-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000340586148 456549610 /nfs/dbraw/zinc/54/96/10/456549610.db2.gz KIPCLKOIRNPTQE-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000340586148 456549612 /nfs/dbraw/zinc/54/96/12/456549612.db2.gz KIPCLKOIRNPTQE-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP CC1(C)CC[C@H](C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000310274861 456581744 /nfs/dbraw/zinc/58/17/44/456581744.db2.gz OGXAUJOJHJMBQD-XUVXKRRUSA-N 2 1 328.500 3.398 20 0 EGADMP CC1(C)CC[C@H](C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000310274861 456581751 /nfs/dbraw/zinc/58/17/51/456581751.db2.gz OGXAUJOJHJMBQD-XUVXKRRUSA-N 2 1 328.500 3.398 20 0 EGADMP CC1(C)CC[C@H](C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000310274861 456581756 /nfs/dbraw/zinc/58/17/56/456581756.db2.gz OGXAUJOJHJMBQD-XUVXKRRUSA-N 2 1 328.500 3.398 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000310868254 456586241 /nfs/dbraw/zinc/58/62/41/456586241.db2.gz YNECAMIORQELIC-QAPCUYQASA-N 2 1 347.503 3.284 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)s2)cn1 ZINC000282744833 456611638 /nfs/dbraw/zinc/61/16/38/456611638.db2.gz GFRAOYYPOMVJBG-WMLDXEAASA-N 2 1 330.501 3.065 20 0 EGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)s2)cn1 ZINC000282744833 456611644 /nfs/dbraw/zinc/61/16/44/456611644.db2.gz GFRAOYYPOMVJBG-WMLDXEAASA-N 2 1 330.501 3.065 20 0 EGADMP Cc1cc([C@H](C)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000282754906 456615574 /nfs/dbraw/zinc/61/55/74/456615574.db2.gz NYDVZZWEKNESDL-AOIWGVFYSA-N 2 1 326.488 3.290 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282812006 456632735 /nfs/dbraw/zinc/63/27/35/456632735.db2.gz OJSMVOTXMBXFQI-OAHLLOKOSA-N 2 1 332.517 3.312 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282812006 456632738 /nfs/dbraw/zinc/63/27/38/456632738.db2.gz OJSMVOTXMBXFQI-OAHLLOKOSA-N 2 1 332.517 3.312 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282812006 456632751 /nfs/dbraw/zinc/63/27/51/456632751.db2.gz OJSMVOTXMBXFQI-OAHLLOKOSA-N 2 1 332.517 3.312 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282812006 456632756 /nfs/dbraw/zinc/63/27/56/456632756.db2.gz OJSMVOTXMBXFQI-OAHLLOKOSA-N 2 1 332.517 3.312 20 0 EGADMP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1cccc(Cl)c1 ZINC000321456633 456639047 /nfs/dbraw/zinc/63/90/47/456639047.db2.gz YCVQERGQHBLVIQ-IRXDYDNUSA-N 2 1 335.879 3.275 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1cccc(Cl)c1 ZINC000321456633 456639051 /nfs/dbraw/zinc/63/90/51/456639051.db2.gz YCVQERGQHBLVIQ-IRXDYDNUSA-N 2 1 335.879 3.275 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(Cl)oc4ccccc43)C2)CC1 ZINC000353328120 456640908 /nfs/dbraw/zinc/64/09/08/456640908.db2.gz GTSKNIOZOPRJFW-HNNXBMFYSA-N 2 1 347.890 3.298 20 0 EGADMP COC1(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)CCOCC1 ZINC000277034070 456660017 /nfs/dbraw/zinc/66/00/17/456660017.db2.gz OKYMWLUQBOEODK-GOSISDBHSA-N 2 1 346.515 3.346 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC)cc1 ZINC000338193093 456696602 /nfs/dbraw/zinc/69/66/02/456696602.db2.gz VCXHABYTPDUXGJ-LJQANCHMSA-N 2 1 331.504 3.133 20 0 EGADMP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)NCC1CCCCC1 ZINC000343585488 456724960 /nfs/dbraw/zinc/72/49/60/456724960.db2.gz XSIAXSKOFKXOID-UHFFFAOYSA-N 2 1 335.536 3.023 20 0 EGADMP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCOCC1 ZINC000291712492 456730449 /nfs/dbraw/zinc/73/04/49/456730449.db2.gz LORPUGRNZDSPEY-UYAOXDASSA-N 2 1 346.515 3.072 20 0 EGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCOCC1 ZINC000291712492 456730454 /nfs/dbraw/zinc/73/04/54/456730454.db2.gz LORPUGRNZDSPEY-UYAOXDASSA-N 2 1 346.515 3.072 20 0 EGADMP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000353535143 456740568 /nfs/dbraw/zinc/74/05/68/456740568.db2.gz VHZNRWYGONXJRY-LRQRDZAKSA-N 2 1 339.483 3.446 20 0 EGADMP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000353535143 456740570 /nfs/dbraw/zinc/74/05/70/456740570.db2.gz VHZNRWYGONXJRY-LRQRDZAKSA-N 2 1 339.483 3.446 20 0 EGADMP CN(CCC[N@@H+](C)CCC(=O)N(C)c1ccccc1)Cc1ccco1 ZINC000353554464 456756309 /nfs/dbraw/zinc/75/63/09/456756309.db2.gz KVLWQYZRQYJFNS-UHFFFAOYSA-N 2 1 343.471 3.086 20 0 EGADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CS1 ZINC000277306308 456770467 /nfs/dbraw/zinc/77/04/67/456770467.db2.gz SFUUWLDVKQWZQY-UFYCRDLUSA-N 2 1 348.556 3.263 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000283388962 456772062 /nfs/dbraw/zinc/77/20/62/456772062.db2.gz UEIJMTYTETUADH-QFIPXVFZSA-N 2 1 343.559 3.500 20 0 EGADMP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C[NH+](C)[C@H]3CCSC3)c2C1 ZINC000344526478 456834714 /nfs/dbraw/zinc/83/47/14/456834714.db2.gz WKMCRMGGMVBUQH-INIZCTEOSA-N 2 1 347.528 3.034 20 0 EGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)C[NH+](C)[C@H]3CCSC3)c2C1 ZINC000344526478 456834722 /nfs/dbraw/zinc/83/47/22/456834722.db2.gz WKMCRMGGMVBUQH-INIZCTEOSA-N 2 1 347.528 3.034 20 0 EGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)C[N@H+](C)[C@H]3CCSC3)c2C1 ZINC000344526478 456834727 /nfs/dbraw/zinc/83/47/27/456834727.db2.gz WKMCRMGGMVBUQH-INIZCTEOSA-N 2 1 347.528 3.034 20 0 EGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)C[N@@H+](C)[C@H]3CCSC3)c2C1 ZINC000344526478 456834732 /nfs/dbraw/zinc/83/47/32/456834732.db2.gz WKMCRMGGMVBUQH-INIZCTEOSA-N 2 1 347.528 3.034 20 0 EGADMP c1ccc(C[NH+]2CCC(NC[C@H]3CCCC[N@H+]3C3CC3)CC2)cc1 ZINC000277519956 456851675 /nfs/dbraw/zinc/85/16/75/456851675.db2.gz SOFOTUPTLVMJJV-OAQYLSRUSA-N 2 1 327.516 3.258 20 0 EGADMP CCN(C)c1ccc(C[N@@H+](C)CCCN(C)Cc2ccco2)cn1 ZINC000348813446 456867830 /nfs/dbraw/zinc/86/78/30/456867830.db2.gz HBMQFTRYHMCWDV-UHFFFAOYSA-N 2 1 330.476 3.085 20 0 EGADMP CCN(C)c1ccc(CN(C)CCC[N@H+](C)Cc2ccco2)cn1 ZINC000348813446 456867834 /nfs/dbraw/zinc/86/78/34/456867834.db2.gz HBMQFTRYHMCWDV-UHFFFAOYSA-N 2 1 330.476 3.085 20 0 EGADMP CCN(C)c1ccc(CN(C)CCC[N@@H+](C)Cc2ccco2)cn1 ZINC000348813446 456867837 /nfs/dbraw/zinc/86/78/37/456867837.db2.gz HBMQFTRYHMCWDV-UHFFFAOYSA-N 2 1 330.476 3.085 20 0 EGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@H](C)C(C)C)CC2)cc1 ZINC000338973453 456883955 /nfs/dbraw/zinc/88/39/55/456883955.db2.gz KHWBRNIAFMXCEX-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(OC)c(OC)c2)C[C@@H]1C ZINC000353748284 456887179 /nfs/dbraw/zinc/88/71/79/456887179.db2.gz HIQJQRZRXRYTAX-HOCLYGCPSA-N 2 1 336.476 3.017 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(OC)c(OC)c2)C[C@@H]1C ZINC000353748284 456887183 /nfs/dbraw/zinc/88/71/83/456887183.db2.gz HIQJQRZRXRYTAX-HOCLYGCPSA-N 2 1 336.476 3.017 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)c(OC)c(OC)c2)C[C@@H]1C ZINC000353748284 456887187 /nfs/dbraw/zinc/88/71/87/456887187.db2.gz HIQJQRZRXRYTAX-HOCLYGCPSA-N 2 1 336.476 3.017 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(OC)c(OC)c2)C[C@@H]1C ZINC000353748284 456887192 /nfs/dbraw/zinc/88/71/92/456887192.db2.gz HIQJQRZRXRYTAX-HOCLYGCPSA-N 2 1 336.476 3.017 20 0 EGADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000341675201 456894752 /nfs/dbraw/zinc/89/47/52/456894752.db2.gz JXHQIKQICAEZEM-FQEVSTJZSA-N 2 1 348.450 3.071 20 0 EGADMP CCC[NH+]1CCC(CNC(=O)[C@@H](CC)[N@@H+](C)Cc2ccccc2)CC1 ZINC000353776366 456901707 /nfs/dbraw/zinc/90/17/07/456901707.db2.gz IQKDOKVTTBSMTE-HXUWFJFHSA-N 2 1 345.531 3.135 20 0 EGADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cnn4ccccc34)CC2)C1 ZINC000353891865 456953229 /nfs/dbraw/zinc/95/32/29/456953229.db2.gz YNJKNRUJBYEIKK-LPHOPBHVSA-N 2 1 326.488 3.467 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000339137522 456958814 /nfs/dbraw/zinc/95/88/14/456958814.db2.gz UDALRHRMTBZBRM-OAHLLOKOSA-N 2 1 335.455 3.224 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000339137522 456958816 /nfs/dbraw/zinc/95/88/16/456958816.db2.gz UDALRHRMTBZBRM-OAHLLOKOSA-N 2 1 335.455 3.224 20 0 EGADMP CC[N@@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000345206309 456967696 /nfs/dbraw/zinc/96/76/96/456967696.db2.gz PEVHIGZWLNZSIE-UYAOXDASSA-N 2 1 332.488 3.208 20 0 EGADMP COc1cccc(OC(F)(F)F)c1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000353948399 456975822 /nfs/dbraw/zinc/97/58/22/456975822.db2.gz UMRALOBIEUNAFJ-CHWSQXEVSA-N 2 1 344.377 3.310 20 0 EGADMP COc1cccc(OC(F)(F)F)c1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000353948401 456975920 /nfs/dbraw/zinc/97/59/20/456975920.db2.gz UMRALOBIEUNAFJ-QWHCGFSZSA-N 2 1 344.377 3.310 20 0 EGADMP CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000353965371 456981820 /nfs/dbraw/zinc/98/18/20/456981820.db2.gz GKKYMIIECWKRLD-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CC(C)[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000353965371 456981825 /nfs/dbraw/zinc/98/18/25/456981825.db2.gz GKKYMIIECWKRLD-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CC(C)[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000353965371 456981827 /nfs/dbraw/zinc/98/18/27/456981827.db2.gz GKKYMIIECWKRLD-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CC(C)[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000353965371 456981832 /nfs/dbraw/zinc/98/18/32/456981832.db2.gz GKKYMIIECWKRLD-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccsc2C)CC1 ZINC000339191035 456984822 /nfs/dbraw/zinc/98/48/22/456984822.db2.gz YWPLGVPHWJXPMY-UHFFFAOYSA-N 2 1 343.540 3.484 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2CCC(OC)CC2)[C@@H](C)C1 ZINC000349686856 457017264 /nfs/dbraw/zinc/01/72/64/457017264.db2.gz YBDVJOICEPBMRC-DCCYDQLOSA-N 2 1 340.552 3.308 20 0 EGADMP CCC(C)(C)CC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358875456 457018362 /nfs/dbraw/zinc/01/83/62/457018362.db2.gz SVWBVFUTURWVLW-QZTJIDSGSA-N 2 1 340.552 3.403 20 0 EGADMP C[NH+](C)Cc1ccc(C[NH2+][C@H](c2ccccc2)c2ccncn2)cc1 ZINC000358944020 457040167 /nfs/dbraw/zinc/04/01/67/457040167.db2.gz OXFAZMUZDQWNRK-OAQYLSRUSA-N 2 1 332.451 3.417 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(OC(C)C)cc2)C1 ZINC000354108343 457067573 /nfs/dbraw/zinc/06/75/73/457067573.db2.gz VDULHXUKGJWHBY-HXUWFJFHSA-N 2 1 334.504 3.407 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@@H]3CCCO3)CC2)cs1 ZINC000346607240 457074264 /nfs/dbraw/zinc/07/42/64/457074264.db2.gz OMXQEUYAAMEOGO-YOEHRIQHSA-N 2 1 337.533 3.075 20 0 EGADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000356599328 457076763 /nfs/dbraw/zinc/07/67/63/457076763.db2.gz PAVMEYZBEZIEEF-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000356599328 457076769 /nfs/dbraw/zinc/07/67/69/457076769.db2.gz PAVMEYZBEZIEEF-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000356599328 457076772 /nfs/dbraw/zinc/07/67/72/457076772.db2.gz PAVMEYZBEZIEEF-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000356599328 457076779 /nfs/dbraw/zinc/07/67/79/457076779.db2.gz PAVMEYZBEZIEEF-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc(NCC3CC3)ncn2)C1 ZINC000359468780 457086983 /nfs/dbraw/zinc/08/69/83/457086983.db2.gz WLRULJIYNJPHJE-HLLBOEOZSA-N 2 1 329.492 3.140 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346642568 457087363 /nfs/dbraw/zinc/08/73/63/457087363.db2.gz MOESXAZAFAUCMT-LJQANCHMSA-N 2 1 332.467 3.433 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346642568 457087370 /nfs/dbraw/zinc/08/73/70/457087370.db2.gz MOESXAZAFAUCMT-LJQANCHMSA-N 2 1 332.467 3.433 20 0 EGADMP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000339397645 457093048 /nfs/dbraw/zinc/09/30/48/457093048.db2.gz RUFKEYQSNIZPDY-IAGOWNOFSA-N 2 1 328.460 3.495 20 0 EGADMP Cc1ccc(CCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000339410361 457098233 /nfs/dbraw/zinc/09/82/33/457098233.db2.gz RIPZWSXFNLKZTN-OAQYLSRUSA-N 2 1 338.499 3.362 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3cccc4ccccc43)C[C@@H]21 ZINC000342105126 457111124 /nfs/dbraw/zinc/11/11/24/457111124.db2.gz NVELNBXHOIJXPR-NZSAHSFTSA-N 2 1 337.467 3.228 20 0 EGADMP COc1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c(SC)cc1OC ZINC000346693924 457115060 /nfs/dbraw/zinc/11/50/60/457115060.db2.gz QOQDPEVPQWDTPM-AWEZNQCLSA-N 2 1 326.506 3.231 20 0 EGADMP COc1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c(SC)cc1OC ZINC000346693924 457115064 /nfs/dbraw/zinc/11/50/64/457115064.db2.gz QOQDPEVPQWDTPM-AWEZNQCLSA-N 2 1 326.506 3.231 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(OCC(F)(F)F)c3)C[C@H]21 ZINC000342127344 457123129 /nfs/dbraw/zinc/12/31/29/457123129.db2.gz MEYXHOGHWWOHGR-NUEKZKHPSA-N 2 1 328.378 3.187 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)C)nc2)[C@@H](C)C1 ZINC000360010532 457202665 /nfs/dbraw/zinc/20/26/65/457202665.db2.gz HPXULTIHLKJUGO-HKUYNNGSSA-N 2 1 349.519 3.095 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)C)nc2)[C@@H](C)C1 ZINC000360010532 457202669 /nfs/dbraw/zinc/20/26/69/457202669.db2.gz HPXULTIHLKJUGO-HKUYNNGSSA-N 2 1 349.519 3.095 20 0 EGADMP COC[C@H](CC(C)C)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000360056104 457229662 /nfs/dbraw/zinc/22/96/62/457229662.db2.gz QKRZPHMIAJODOC-SFTDATJTSA-N 2 1 347.547 3.016 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347115587 457236418 /nfs/dbraw/zinc/23/64/18/457236418.db2.gz UTQNQQRNLIQVNZ-YOFSQIOKSA-N 2 1 338.499 3.263 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347115587 457236420 /nfs/dbraw/zinc/23/64/20/457236420.db2.gz UTQNQQRNLIQVNZ-YOFSQIOKSA-N 2 1 338.499 3.263 20 0 EGADMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(SC)cc1OC ZINC000347117630 457237838 /nfs/dbraw/zinc/23/78/38/457237838.db2.gz WVJPAOTYGILGIW-YIONKMFJSA-N 2 1 336.501 3.141 20 0 EGADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(SC)cc1OC ZINC000347117630 457237841 /nfs/dbraw/zinc/23/78/41/457237841.db2.gz WVJPAOTYGILGIW-YIONKMFJSA-N 2 1 336.501 3.141 20 0 EGADMP COc1cc(C)[nH+]c(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000339821073 457291205 /nfs/dbraw/zinc/29/12/05/457291205.db2.gz YAHVRRUEHPXEOK-ROUUACIJSA-N 2 1 331.504 3.485 20 0 EGADMP COc1cc(C)[nH+]c(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000339821073 457291210 /nfs/dbraw/zinc/29/12/10/457291210.db2.gz YAHVRRUEHPXEOK-ROUUACIJSA-N 2 1 331.504 3.485 20 0 EGADMP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357083962 457313183 /nfs/dbraw/zinc/31/31/83/457313183.db2.gz JBCBHMQVNRNABM-CRAIPNDOSA-N 2 1 340.471 3.043 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cn3cccnc3n2)CC1)CC1CC1 ZINC000357084649 457313827 /nfs/dbraw/zinc/31/38/27/457313827.db2.gz MCQPVMKUKNGFKO-UHFFFAOYSA-N 2 1 341.503 3.063 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1)CC1CC1 ZINC000357087459 457315608 /nfs/dbraw/zinc/31/56/08/457315608.db2.gz PZLXVPNETIDDEK-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)[NH+](C)C[C@@H]2C)cc1 ZINC000352016127 457330883 /nfs/dbraw/zinc/33/08/83/457330883.db2.gz VGANKBSYSDJASY-IRXDYDNUSA-N 2 1 331.504 3.083 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000352016127 457330889 /nfs/dbraw/zinc/33/08/89/457330889.db2.gz VGANKBSYSDJASY-IRXDYDNUSA-N 2 1 331.504 3.083 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000352016127 457330896 /nfs/dbraw/zinc/33/08/96/457330896.db2.gz VGANKBSYSDJASY-IRXDYDNUSA-N 2 1 331.504 3.083 20 0 EGADMP Cc1cnc([C@H](C)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000352447230 457374631 /nfs/dbraw/zinc/37/46/31/457374631.db2.gz JNUVTPRJWSOCAD-UHOSZYNNSA-N 2 1 325.456 3.498 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000378249643 457384426 /nfs/dbraw/zinc/38/44/26/457384426.db2.gz YAZNQENQYBATQZ-JXFKEZNVSA-N 2 1 347.934 3.428 20 0 EGADMP c1cc2c(nc[nH+]c2N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)[nH]1 ZINC000360872770 457398459 /nfs/dbraw/zinc/39/84/59/457398459.db2.gz OIJBOBKBBLRRFE-IEBWSBKVSA-N 2 1 347.466 3.449 20 0 EGADMP c1cc2c(nc[nH+]c2N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)[nH]1 ZINC000360872770 457398466 /nfs/dbraw/zinc/39/84/66/457398466.db2.gz OIJBOBKBBLRRFE-IEBWSBKVSA-N 2 1 347.466 3.449 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000363656424 457400908 /nfs/dbraw/zinc/40/09/08/457400908.db2.gz LUBZUBXCUZTSMF-PMACEKPBSA-N 2 1 329.532 3.361 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363656424 457400910 /nfs/dbraw/zinc/40/09/10/457400910.db2.gz LUBZUBXCUZTSMF-PMACEKPBSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363656424 457400913 /nfs/dbraw/zinc/40/09/13/457400913.db2.gz LUBZUBXCUZTSMF-PMACEKPBSA-N 3 1 329.532 3.361 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000363656424 457400918 /nfs/dbraw/zinc/40/09/18/457400918.db2.gz LUBZUBXCUZTSMF-PMACEKPBSA-N 3 1 329.532 3.361 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000363656424 457400922 /nfs/dbraw/zinc/40/09/22/457400922.db2.gz LUBZUBXCUZTSMF-PMACEKPBSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363656424 457400929 /nfs/dbraw/zinc/40/09/29/457400929.db2.gz LUBZUBXCUZTSMF-PMACEKPBSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363656424 457400935 /nfs/dbraw/zinc/40/09/35/457400935.db2.gz LUBZUBXCUZTSMF-PMACEKPBSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1cccc2ccccc21 ZINC000352507831 457426994 /nfs/dbraw/zinc/42/69/94/457426994.db2.gz DHHZYTZNALQZIJ-WMZOPIPTSA-N 2 1 339.483 3.220 20 0 EGADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1cccc2ccccc21 ZINC000352507831 457427002 /nfs/dbraw/zinc/42/70/02/457427002.db2.gz DHHZYTZNALQZIJ-WMZOPIPTSA-N 2 1 339.483 3.220 20 0 EGADMP CC(=O)Nc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000369857702 457433765 /nfs/dbraw/zinc/43/37/65/457433765.db2.gz SWIWTLNVPXZNRE-OYRHEFFESA-N 2 1 349.478 3.209 20 0 EGADMP CC(=O)Nc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000369857702 457433786 /nfs/dbraw/zinc/43/37/86/457433786.db2.gz SWIWTLNVPXZNRE-OYRHEFFESA-N 2 1 349.478 3.209 20 0 EGADMP CC(=O)Nc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000369857702 457433791 /nfs/dbraw/zinc/43/37/91/457433791.db2.gz SWIWTLNVPXZNRE-OYRHEFFESA-N 2 1 349.478 3.209 20 0 EGADMP Clc1cccc2c1OCCC[C@@H]2NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363782285 457444710 /nfs/dbraw/zinc/44/47/10/457444710.db2.gz KNAINJMJLLBLPD-ZQIUZPCESA-N 2 1 336.863 3.007 20 0 EGADMP COC(=O)c1oc([C@@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1C ZINC000374074333 457471062 /nfs/dbraw/zinc/47/10/62/457471062.db2.gz JXCWVGLVZTUBIM-OAHLLOKOSA-N 2 1 334.460 3.243 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnc(C(C)(C)C)nc2)[C@@H](C)C1 ZINC000342730036 457484930 /nfs/dbraw/zinc/48/49/30/457484930.db2.gz PGMVWILFPPXIHO-WMZOPIPTSA-N 2 1 348.535 3.001 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnc(C(C)(C)C)nc2)[C@@H](C)C1 ZINC000342730036 457484935 /nfs/dbraw/zinc/48/49/35/457484935.db2.gz PGMVWILFPPXIHO-WMZOPIPTSA-N 2 1 348.535 3.001 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000356172767 457504365 /nfs/dbraw/zinc/50/43/65/457504365.db2.gz DPLSPURZJUQAOH-UHFFFAOYSA-N 2 1 341.902 3.029 20 0 EGADMP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000425354912 457514756 /nfs/dbraw/zinc/51/47/56/457514756.db2.gz OEXAICGNTQPYST-QGWWYQLQSA-N 2 1 334.529 3.279 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc(N(C)C)n2C)CC1)CC(C)C ZINC000425388159 457530680 /nfs/dbraw/zinc/53/06/80/457530680.db2.gz WBRJASWEMVBCAE-UHFFFAOYSA-N 2 1 349.567 3.066 20 0 EGADMP C[N@H+]1CCCC12CCN(C[C@H](O)c1ccc(F)cc1Cl)CC2 ZINC000364360797 457577647 /nfs/dbraw/zinc/57/76/47/457577647.db2.gz JARPYNQSHXDTMI-INIZCTEOSA-N 2 1 326.843 3.073 20 0 EGADMP CC[C@H]1CC[C@@H](C)[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000357532752 457582903 /nfs/dbraw/zinc/58/29/03/457582903.db2.gz VKOKEVPTFCWQSC-XLIONFOSSA-N 2 1 343.515 3.162 20 0 EGADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](CC2=CCCOC2)CC3)cc1 ZINC000364427674 457601154 /nfs/dbraw/zinc/60/11/54/457601154.db2.gz BMJSLTGLIFSTRM-UHFFFAOYSA-N 2 1 326.484 3.321 20 0 EGADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)c2)CC1 ZINC000361183401 457634578 /nfs/dbraw/zinc/63/45/78/457634578.db2.gz UVVZMUNLVPBZJC-NQIIRXRSSA-N 3 1 329.532 3.348 20 0 EGADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCN(C)C[C@H]3C)c2)CC1 ZINC000361183401 457634582 /nfs/dbraw/zinc/63/45/82/457634582.db2.gz UVVZMUNLVPBZJC-NQIIRXRSSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000364684776 457673306 /nfs/dbraw/zinc/67/33/06/457673306.db2.gz JPIKQSJQVLIPJE-IYBDPMFKSA-N 2 1 336.549 3.070 20 0 EGADMP C[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000357741744 457675149 /nfs/dbraw/zinc/67/51/49/457675149.db2.gz MPFCSZKFDGSRFH-ROUUACIJSA-N 2 1 347.503 3.187 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC[N@H+]1C ZINC000370616196 457681944 /nfs/dbraw/zinc/68/19/44/457681944.db2.gz PPBHPBXUSNPDEC-BMFZPTHFSA-N 2 1 341.421 3.356 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC[N@@H+]1C ZINC000370616196 457681939 /nfs/dbraw/zinc/68/19/39/457681939.db2.gz PPBHPBXUSNPDEC-BMFZPTHFSA-N 2 1 341.421 3.356 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2OC)C1 ZINC000361302272 457685334 /nfs/dbraw/zinc/68/53/34/457685334.db2.gz VOXAMYSGIYNTBC-KRWDZBQOSA-N 2 1 340.895 3.281 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2OC)C1 ZINC000361302272 457685339 /nfs/dbraw/zinc/68/53/39/457685339.db2.gz VOXAMYSGIYNTBC-KRWDZBQOSA-N 2 1 340.895 3.281 20 0 EGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H](c2cccs2)C2CCCC2)C1 ZINC000357780470 457687286 /nfs/dbraw/zinc/68/72/86/457687286.db2.gz VXXNFYMPPQPKMS-AEFFLSMTSA-N 2 1 349.544 3.156 20 0 EGADMP C[N@@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364797976 457695391 /nfs/dbraw/zinc/69/53/91/457695391.db2.gz ITLCNRWLUZCOGE-MRXNPFEDSA-N 2 1 339.886 3.079 20 0 EGADMP Fc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c(F)c1 ZINC000370670448 457695879 /nfs/dbraw/zinc/69/58/79/457695879.db2.gz BRICGTJVKLDZKC-SJORKVTESA-N 2 1 335.442 3.150 20 0 EGADMP Cc1csc(N2CCC([NH2+]CC3([NH+](C)C)CCCCC3)CC2)n1 ZINC000361345298 457700260 /nfs/dbraw/zinc/70/02/60/457700260.db2.gz ZONQHGJLQJDJDK-UHFFFAOYSA-N 2 1 336.549 3.274 20 0 EGADMP C[N@@H+](Cc1ccc(F)cn1)[C@@H]1CCCN(Cc2ccc(F)cn2)CC1 ZINC000364896224 457714106 /nfs/dbraw/zinc/71/41/06/457714106.db2.gz PAEXUFKUKHTKKS-LJQANCHMSA-N 2 1 346.425 3.241 20 0 EGADMP CCNC(=O)c1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000358015564 457739694 /nfs/dbraw/zinc/73/96/94/457739694.db2.gz LIUUUHPYEYFGCB-UHFFFAOYSA-N 2 1 343.515 3.323 20 0 EGADMP CC(C)[C@@H](C[NH3+])C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000433152989 457765298 /nfs/dbraw/zinc/76/52/98/457765298.db2.gz OBLBXTSABQOFKA-FUHIMQAGSA-N 2 1 345.531 3.012 20 0 EGADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000361519036 457767175 /nfs/dbraw/zinc/76/71/75/457767175.db2.gz MHGIXIUMCDXRLW-GOSISDBHSA-N 2 1 347.547 3.118 20 0 EGADMP COc1cc(F)c([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000358080639 457772786 /nfs/dbraw/zinc/77/27/86/457772786.db2.gz GGZVDAFHYPZTKU-OLZOCXBDSA-N 2 1 335.423 3.335 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)Cn1ccnc1 ZINC000358079993 457772871 /nfs/dbraw/zinc/77/28/71/457772871.db2.gz FDDJVDROZKPTNW-WSTZPKSXSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)Cn1ccnc1 ZINC000358079993 457772877 /nfs/dbraw/zinc/77/28/77/457772877.db2.gz FDDJVDROZKPTNW-WSTZPKSXSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)C(C)(C)n1cncn1 ZINC000375081312 457783383 /nfs/dbraw/zinc/78/33/83/457783383.db2.gz PYHZZPSSCMAGGP-IAGOWNOFSA-N 2 1 341.503 3.217 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000411118446 457806260 /nfs/dbraw/zinc/80/62/60/457806260.db2.gz XBDDPVHXGYWJOX-SFHVURJKSA-N 2 1 326.488 3.178 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000411118446 457806266 /nfs/dbraw/zinc/80/62/66/457806266.db2.gz XBDDPVHXGYWJOX-SFHVURJKSA-N 2 1 326.488 3.178 20 0 EGADMP CC(C)Oc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371292045 457851017 /nfs/dbraw/zinc/85/10/17/457851017.db2.gz ARZCULMCOFAEDY-DFQSSKMNSA-N 2 1 332.488 3.157 20 0 EGADMP CC(C)Oc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371292045 457851023 /nfs/dbraw/zinc/85/10/23/457851023.db2.gz ARZCULMCOFAEDY-DFQSSKMNSA-N 2 1 332.488 3.157 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444198593 457867223 /nfs/dbraw/zinc/86/72/23/457867223.db2.gz QBHUERQRTGXEBT-KRWDZBQOSA-N 2 1 347.478 3.271 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCCCOc1ccccc1 ZINC000375355620 457894443 /nfs/dbraw/zinc/89/44/43/457894443.db2.gz KNTNSMGZLAFNNG-GIVPXCGWSA-N 2 1 346.515 3.419 20 0 EGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000358267975 457899781 /nfs/dbraw/zinc/89/97/81/457899781.db2.gz QZXFZMIXVVSTDX-MSOLQXFVSA-N 2 1 343.515 3.133 20 0 EGADMP Cc1ccc2c(c1)CC[N@H+](C[C@@H](O)Cn1cnc3cc(C)c(C)cc31)C2 ZINC000361844132 457902623 /nfs/dbraw/zinc/90/26/23/457902623.db2.gz SSTCXYGWCSWSBQ-HXUWFJFHSA-N 2 1 349.478 3.381 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(OC)c2)[C@@H](C)C1 ZINC000358295426 457917029 /nfs/dbraw/zinc/91/70/29/457917029.db2.gz FCWSRDINNGMNAB-KXBFYZLASA-N 2 1 338.467 3.061 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(OC)c2)[C@@H](C)C1 ZINC000358295426 457917033 /nfs/dbraw/zinc/91/70/33/457917033.db2.gz FCWSRDINNGMNAB-KXBFYZLASA-N 2 1 338.467 3.061 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(OC)c2)[C@H](C)C1 ZINC000358295422 457917179 /nfs/dbraw/zinc/91/71/79/457917179.db2.gz FCWSRDINNGMNAB-BEFAXECRSA-N 2 1 338.467 3.061 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(OC)c2)[C@H](C)C1 ZINC000358295422 457917183 /nfs/dbraw/zinc/91/71/83/457917183.db2.gz FCWSRDINNGMNAB-BEFAXECRSA-N 2 1 338.467 3.061 20 0 EGADMP CCc1nc2c(s1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)CCC2 ZINC000358299034 457918235 /nfs/dbraw/zinc/91/82/35/457918235.db2.gz IYAYXCIWWCKDHG-PVAVHDDUSA-N 2 1 349.544 3.050 20 0 EGADMP C[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000361890249 457933276 /nfs/dbraw/zinc/93/32/76/457933276.db2.gz DRRGARURXHWQBI-QRWLVFNGSA-N 2 1 346.421 3.252 20 0 EGADMP c1[nH]c2ncccc2c1CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000358323651 457933800 /nfs/dbraw/zinc/93/38/00/457933800.db2.gz AAGBHHFKYAZBBC-UHFFFAOYSA-N 2 1 334.467 3.360 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000411632932 457934696 /nfs/dbraw/zinc/93/46/96/457934696.db2.gz RFHGBULGZWHZKA-QGZVFWFLSA-N 2 1 342.487 3.209 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000411632932 457934703 /nfs/dbraw/zinc/93/47/03/457934703.db2.gz RFHGBULGZWHZKA-QGZVFWFLSA-N 2 1 342.487 3.209 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC000434055874 457939157 /nfs/dbraw/zinc/93/91/57/457939157.db2.gz AQTWOIBMXDYUKA-PMACEKPBSA-N 2 1 343.515 3.203 20 0 EGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000375504180 457953431 /nfs/dbraw/zinc/95/34/31/457953431.db2.gz BLKZCNGBMXFERK-UHFFFAOYSA-N 2 1 338.455 3.329 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CO)CC(F)(F)F)cc1 ZINC000358368339 457960119 /nfs/dbraw/zinc/96/01/19/457960119.db2.gz NHDQUWGHAHDJEE-BXUZGUMPSA-N 2 1 327.350 3.145 20 0 EGADMP c1cc(C[N@H+]2CCO[C@]3(CCCOC3)C2)ccc1C[NH+]1CCCCC1 ZINC000411726765 457963586 /nfs/dbraw/zinc/96/35/86/457963586.db2.gz ZCAJMKHBPZZNMM-OAQYLSRUSA-N 2 1 344.499 3.054 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434671439 458033993 /nfs/dbraw/zinc/03/39/93/458033993.db2.gz IBZYSWRMYGATQC-UHFFFAOYSA-N 2 1 341.503 3.384 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358506242 458046103 /nfs/dbraw/zinc/04/61/03/458046103.db2.gz LDMMJCBAAFOCRS-MRXNPFEDSA-N 2 1 329.488 3.213 20 0 EGADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412120004 458098563 /nfs/dbraw/zinc/09/85/63/458098563.db2.gz YGIJRBMKYCHWOM-IBGZPJMESA-N 2 1 343.515 3.086 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375908313 458118343 /nfs/dbraw/zinc/11/83/43/458118343.db2.gz VZLRUDITSZEAHW-UXHICEINSA-N 2 1 333.495 3.377 20 0 EGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369196894 458120962 /nfs/dbraw/zinc/12/09/62/458120962.db2.gz HDHVDGGAPPCYCQ-XOKHGSTOSA-N 2 1 342.405 3.089 20 0 EGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369196894 458120964 /nfs/dbraw/zinc/12/09/64/458120964.db2.gz HDHVDGGAPPCYCQ-XOKHGSTOSA-N 2 1 342.405 3.089 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@H]1[NH3+] ZINC000435374729 458124151 /nfs/dbraw/zinc/12/41/51/458124151.db2.gz JZBSDVZISKWOID-VQIMIIECSA-N 2 1 340.515 3.398 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@H]1[NH3+] ZINC000435374729 458124156 /nfs/dbraw/zinc/12/41/56/458124156.db2.gz JZBSDVZISKWOID-VQIMIIECSA-N 2 1 340.515 3.398 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435374144 458124411 /nfs/dbraw/zinc/12/44/11/458124411.db2.gz HLJQDNDUDVURTL-SJLPKXTDSA-N 2 1 338.499 3.394 20 0 EGADMP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)CC(C)(C)C[NH3+] ZINC000435378408 458128569 /nfs/dbraw/zinc/12/85/69/458128569.db2.gz IEHJIXKNEBHTPT-UHFFFAOYSA-N 2 1 349.482 3.351 20 0 EGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000435388000 458132225 /nfs/dbraw/zinc/13/22/25/458132225.db2.gz DFDLVPJXBGEWDP-OAHLLOKOSA-N 2 1 338.480 3.381 20 0 EGADMP Cn1cnc2cc(C[N@H+](Cc3ccccn3)[C@H]3CCC[NH2+]CC3)ccc21 ZINC000435393884 458135654 /nfs/dbraw/zinc/13/56/54/458135654.db2.gz LRWCVNXYVJJKPK-IBGZPJMESA-N 2 1 349.482 3.113 20 0 EGADMP Cn1cnc2cc(C[N@@H+](Cc3ccccn3)[C@H]3CCC[NH2+]CC3)ccc21 ZINC000435393884 458135661 /nfs/dbraw/zinc/13/56/61/458135661.db2.gz LRWCVNXYVJJKPK-IBGZPJMESA-N 2 1 349.482 3.113 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000435394997 458135796 /nfs/dbraw/zinc/13/57/96/458135796.db2.gz NIVYBONDNSEBEN-INIZCTEOSA-N 2 1 326.488 3.341 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000435394997 458135803 /nfs/dbraw/zinc/13/58/03/458135803.db2.gz NIVYBONDNSEBEN-INIZCTEOSA-N 2 1 326.488 3.341 20 0 EGADMP C[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435614399 458173019 /nfs/dbraw/zinc/17/30/19/458173019.db2.gz FJNXEPMFQOXLMS-HNNXBMFYSA-N 2 1 343.393 3.108 20 0 EGADMP CN(C(=O)CCCCC(C)(C)C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000376087876 458190698 /nfs/dbraw/zinc/19/06/98/458190698.db2.gz GIDNMBOLSYNOJX-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CN(C(=O)CCCCC(C)(C)C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376087876 458190703 /nfs/dbraw/zinc/19/07/03/458190703.db2.gz GIDNMBOLSYNOJX-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)[C@@H]1C ZINC000435726763 458191101 /nfs/dbraw/zinc/19/11/01/458191101.db2.gz RUMWWKSPCISDTC-NEPXVJNWSA-N 2 1 336.520 3.351 20 0 EGADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(F)ccc1F ZINC000358755427 458196110 /nfs/dbraw/zinc/19/61/10/458196110.db2.gz SNWJLIPGLAUCLP-LPHOPBHVSA-N 2 1 340.458 3.488 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000372192667 458225580 /nfs/dbraw/zinc/22/55/80/458225580.db2.gz VYRNRBQUNPAWHW-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000372192667 458225582 /nfs/dbraw/zinc/22/55/82/458225582.db2.gz VYRNRBQUNPAWHW-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000372192667 458225587 /nfs/dbraw/zinc/22/55/87/458225587.db2.gz VYRNRBQUNPAWHW-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447392208 458292067 /nfs/dbraw/zinc/29/20/67/458292067.db2.gz MBOWTOCPBQPOCB-KRWDZBQOSA-N 2 1 349.482 3.341 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447392208 458292069 /nfs/dbraw/zinc/29/20/69/458292069.db2.gz MBOWTOCPBQPOCB-KRWDZBQOSA-N 2 1 349.482 3.341 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000429243273 458295966 /nfs/dbraw/zinc/29/59/66/458295966.db2.gz DDYSRSOXHZNPNW-KRWDZBQOSA-N 2 1 348.535 3.195 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000429243273 458295968 /nfs/dbraw/zinc/29/59/68/458295968.db2.gz DDYSRSOXHZNPNW-KRWDZBQOSA-N 2 1 348.535 3.195 20 0 EGADMP C[C@H]1C[C@@H](CC[NH2+]Cc2c(Cl)cnn2C)C[N@H+]1Cc1ccccc1 ZINC000436406618 458301335 /nfs/dbraw/zinc/30/13/35/458301335.db2.gz IKJXGSCMFXIONK-DOTOQJQBSA-N 2 1 346.906 3.464 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000429288934 458308169 /nfs/dbraw/zinc/30/81/69/458308169.db2.gz BCAGMLPNYQDKTN-OALUTQOASA-N 2 1 331.504 3.166 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000429575753 458348168 /nfs/dbraw/zinc/34/81/68/458348168.db2.gz KZGCNVSABWGUNE-WSTZPKSXSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000429575753 458348173 /nfs/dbraw/zinc/34/81/73/458348173.db2.gz KZGCNVSABWGUNE-WSTZPKSXSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H](c1ccccc1Cl)[N@@H+](CCC(=O)N1CCN(C)CC1)C1CC1 ZINC000429669648 458355897 /nfs/dbraw/zinc/35/58/97/458355897.db2.gz GXMNXHRPMGMYPD-HNNXBMFYSA-N 2 1 349.906 3.030 20 0 EGADMP C[C@@H](c1ccccc1Cl)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000429669648 458355907 /nfs/dbraw/zinc/35/59/07/458355907.db2.gz GXMNXHRPMGMYPD-HNNXBMFYSA-N 2 1 349.906 3.030 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc(O)c2n1 ZINC000429681860 458357636 /nfs/dbraw/zinc/35/76/36/458357636.db2.gz DMWQXSPOGXCCOS-INIZCTEOSA-N 2 1 325.456 3.167 20 0 EGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3cnc(C4CC4)nc3)C2)c1 ZINC000459392937 458357668 /nfs/dbraw/zinc/35/76/68/458357668.db2.gz UUISCOCZZXIVLS-OAHLLOKOSA-N 2 1 342.512 3.417 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3cnc(C4CC4)nc3)C2)c1 ZINC000459392937 458357670 /nfs/dbraw/zinc/35/76/70/458357670.db2.gz UUISCOCZZXIVLS-OAHLLOKOSA-N 2 1 342.512 3.417 20 0 EGADMP CCc1nn(-c2ccccc2)c(CC)c1CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000448022959 458380292 /nfs/dbraw/zinc/38/02/92/458380292.db2.gz QUPNGMYFGAHWDV-JXFKEZNVSA-N 2 1 340.515 3.427 20 0 EGADMP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000448022959 458380297 /nfs/dbraw/zinc/38/02/97/458380297.db2.gz QUPNGMYFGAHWDV-JXFKEZNVSA-N 2 1 340.515 3.427 20 0 EGADMP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000448022959 458380299 /nfs/dbraw/zinc/38/02/99/458380299.db2.gz QUPNGMYFGAHWDV-JXFKEZNVSA-N 2 1 340.515 3.427 20 0 EGADMP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000448022959 458380303 /nfs/dbraw/zinc/38/03/03/458380303.db2.gz QUPNGMYFGAHWDV-JXFKEZNVSA-N 2 1 340.515 3.427 20 0 EGADMP Cc1noc(C)c1CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459482735 458387668 /nfs/dbraw/zinc/38/76/68/458387668.db2.gz OQPLFBNYSLYRPX-UHFFFAOYSA-N 2 1 336.439 3.204 20 0 EGADMP COc1ccccc1-n1nccc1CNCCC[N@H+]1CCCC[C@@H]1C ZINC000430012711 458390402 /nfs/dbraw/zinc/39/04/02/458390402.db2.gz MFHNUSZJYFNAJB-KRWDZBQOSA-N 2 1 342.487 3.235 20 0 EGADMP COc1ccccc1-n1nccc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000430012711 458390405 /nfs/dbraw/zinc/39/04/05/458390405.db2.gz MFHNUSZJYFNAJB-KRWDZBQOSA-N 2 1 342.487 3.235 20 0 EGADMP COc1ccccc1-n1nccc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000430012711 458390407 /nfs/dbraw/zinc/39/04/07/458390407.db2.gz MFHNUSZJYFNAJB-KRWDZBQOSA-N 2 1 342.487 3.235 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCCC3)CCN1C1CC[NH+](C)CC1 ZINC000430078987 458397968 /nfs/dbraw/zinc/39/79/68/458397968.db2.gz UGKJUGLNIBMNTD-GOSISDBHSA-N 2 1 341.543 3.166 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423437804 458432562 /nfs/dbraw/zinc/43/25/62/458432562.db2.gz QSNGUUGDOBETCZ-KSSFIOAISA-N 2 1 340.471 3.136 20 0 EGADMP Cn1ccc([C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccc(Cl)cc2)n1 ZINC000423440795 458433497 /nfs/dbraw/zinc/43/34/97/458433497.db2.gz OUYWPMDELOCAMM-UHOSZYNNSA-N 2 1 344.890 3.141 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CNCCN1C)c1ccc(Oc2ccccc2)cc1 ZINC000423485128 458441348 /nfs/dbraw/zinc/44/13/48/458441348.db2.gz VEAUNCOPSZISAU-WMZOPIPTSA-N 2 1 325.456 3.033 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459774561 458475990 /nfs/dbraw/zinc/47/59/90/458475990.db2.gz JFMCOSQRLVEBRT-TYPHKJRUSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459774561 458475975 /nfs/dbraw/zinc/47/59/75/458475975.db2.gz JFMCOSQRLVEBRT-TYPHKJRUSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459774561 458475980 /nfs/dbraw/zinc/47/59/80/458475980.db2.gz JFMCOSQRLVEBRT-TYPHKJRUSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459774561 458475983 /nfs/dbraw/zinc/47/59/83/458475983.db2.gz JFMCOSQRLVEBRT-TYPHKJRUSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459774561 458475988 /nfs/dbraw/zinc/47/59/88/458475988.db2.gz JFMCOSQRLVEBRT-TYPHKJRUSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459798433 458481664 /nfs/dbraw/zinc/48/16/64/458481664.db2.gz XUOFEYMZAHEIPX-HUUCEWRRSA-N 2 1 337.895 3.379 20 0 EGADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000423826185 458492226 /nfs/dbraw/zinc/49/22/26/458492226.db2.gz MJNMMQFDNDWGFG-BMFAXAFESA-N 2 1 349.906 3.109 20 0 EGADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000423826185 458492228 /nfs/dbraw/zinc/49/22/28/458492228.db2.gz MJNMMQFDNDWGFG-BMFAXAFESA-N 2 1 349.906 3.109 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000437843705 458501793 /nfs/dbraw/zinc/50/17/93/458501793.db2.gz RJANHCJPUAIVBK-FQEVSTJZSA-N 2 1 343.515 3.275 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000430927637 458506508 /nfs/dbraw/zinc/50/65/08/458506508.db2.gz ROCRORJGUFCAMI-CQSZACIVSA-N 2 1 330.394 3.406 20 0 EGADMP Cc1nc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000377768627 458519076 /nfs/dbraw/zinc/51/90/76/458519076.db2.gz RTICMFSCCQFQGB-MOPGFXCFSA-N 2 1 341.524 3.448 20 0 EGADMP Cc1nc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000377768627 458519084 /nfs/dbraw/zinc/51/90/84/458519084.db2.gz RTICMFSCCQFQGB-MOPGFXCFSA-N 2 1 341.524 3.448 20 0 EGADMP C[C@H](CCc1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468554782 458527088 /nfs/dbraw/zinc/52/70/88/458527088.db2.gz PQPZBPGCSYVPTP-DENIHFKCSA-N 2 1 338.495 3.234 20 0 EGADMP C[C@H](CCc1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468554782 458527090 /nfs/dbraw/zinc/52/70/90/458527090.db2.gz PQPZBPGCSYVPTP-DENIHFKCSA-N 2 1 338.495 3.234 20 0 EGADMP Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000431088148 458527770 /nfs/dbraw/zinc/52/77/70/458527770.db2.gz CWKNJNVJKBQFRC-CVEARBPZSA-N 2 1 328.460 3.340 20 0 EGADMP CCC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)C1CC[NH2+]CC1 ZINC000431095517 458528877 /nfs/dbraw/zinc/52/88/77/458528877.db2.gz FYYBXRAFFGFGTA-UHFFFAOYSA-N 2 1 341.858 3.272 20 0 EGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CC[C@@H]4CCOC4)C3)C2)cc1 ZINC000438092633 458530122 /nfs/dbraw/zinc/53/01/22/458530122.db2.gz AADDZCQVTVVNRO-NHCUHLMSSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CC[C@@H]4CCOC4)C3)C2)cc1 ZINC000438092633 458530125 /nfs/dbraw/zinc/53/01/25/458530125.db2.gz AADDZCQVTVVNRO-NHCUHLMSSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CC[C@@H]4CCOC4)C3)C2)cc1 ZINC000438092633 458530129 /nfs/dbraw/zinc/53/01/29/458530129.db2.gz AADDZCQVTVVNRO-NHCUHLMSSA-N 2 1 328.500 3.401 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OC[C@@H]2CCCO2)[C@@H](C)C1 ZINC000469169974 458558751 /nfs/dbraw/zinc/55/87/51/458558751.db2.gz SFXFBQCBWNIQKV-IHPCNDPISA-N 2 1 346.515 3.373 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OC[C@@H]2CCCO2)[C@@H](C)C1 ZINC000469169974 458558758 /nfs/dbraw/zinc/55/87/58/458558758.db2.gz SFXFBQCBWNIQKV-IHPCNDPISA-N 2 1 346.515 3.373 20 0 EGADMP COCCOCc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000377883201 458562419 /nfs/dbraw/zinc/56/24/19/458562419.db2.gz IRDMXYACVWMZEM-OAQYLSRUSA-N 2 1 346.515 3.013 20 0 EGADMP [NH3+][C@H](CCC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)CC1CCCCC1 ZINC000424155582 458573067 /nfs/dbraw/zinc/57/30/67/458573067.db2.gz MXPZDYZDIJOZJQ-MSOLQXFVSA-N 2 1 335.536 3.197 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC[C@H]1CCC[N@H+]1C ZINC000469770985 458589716 /nfs/dbraw/zinc/58/97/16/458589716.db2.gz XEWZZUBDDKHHFN-QWFCFKBJSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000469770985 458589719 /nfs/dbraw/zinc/58/97/19/458589719.db2.gz XEWZZUBDDKHHFN-QWFCFKBJSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000469770985 458589725 /nfs/dbraw/zinc/58/97/25/458589725.db2.gz XEWZZUBDDKHHFN-QWFCFKBJSA-N 3 1 329.532 3.217 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3OC2)[C@@H](C)C1 ZINC000493895503 458596137 /nfs/dbraw/zinc/59/61/37/458596137.db2.gz XMLQATNTQXCKQJ-SXLOBPIMSA-N 2 1 346.515 3.107 20 0 EGADMP COC(=O)CC1CC([NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000424272911 458601187 /nfs/dbraw/zinc/60/11/87/458601187.db2.gz VIMIDTIVBYLOKZ-DZIBYMRMSA-N 2 1 344.499 3.492 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(Cl)c3c(c1)OCCO3)CC[NH2+]CC2 ZINC000424284638 458603685 /nfs/dbraw/zinc/60/36/85/458603685.db2.gz DKPNHQGKMOKOFR-CYBMUJFWSA-N 2 1 336.863 3.075 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccccc1C(C)(C)C)CC[NH2+]CC2 ZINC000424290518 458605447 /nfs/dbraw/zinc/60/54/47/458605447.db2.gz MTAQUNLHTVOWFH-MRXNPFEDSA-N 2 1 343.515 3.387 20 0 EGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000431722485 458612703 /nfs/dbraw/zinc/61/27/03/458612703.db2.gz MFPUTOMMRLXOBG-PKOBYXMFSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000494060947 458622497 /nfs/dbraw/zinc/62/24/97/458622497.db2.gz SBVMMEXPLRTIJD-GGPKGHCWSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1c[nH]nc1-c1ccc(F)cc1)CC[NH2+]CC2 ZINC000424379192 458628943 /nfs/dbraw/zinc/62/89/43/458628943.db2.gz OFPXBANOXVERQF-CQSZACIVSA-N 2 1 328.435 3.180 20 0 EGADMP COCCCOc1cccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424380968 458629663 /nfs/dbraw/zinc/62/96/63/458629663.db2.gz QHTCSDOMNWZPHS-KRWDZBQOSA-N 2 1 332.488 3.066 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424430805 458643157 /nfs/dbraw/zinc/64/31/57/458643157.db2.gz DLOOEUHCHGFFTM-SFHVURJKSA-N 2 1 332.492 3.230 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cc(C)cc(C[NH3+])c2)c1 ZINC000424438597 458645247 /nfs/dbraw/zinc/64/52/47/458645247.db2.gz QFFADWGNNCROQV-UHFFFAOYSA-N 2 1 340.471 3.227 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000439077956 458650642 /nfs/dbraw/zinc/65/06/42/458650642.db2.gz MPVUBOQNVXMIAN-HUUCEWRRSA-N 2 1 333.476 3.036 20 0 EGADMP COCC(C)(C)C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000494388160 458668680 /nfs/dbraw/zinc/66/86/80/458668680.db2.gz VKGHWMWCYZKRKU-CALCHBBNSA-N 2 1 334.504 3.058 20 0 EGADMP COc1cc2c(cc1C[N@H+]1CCCC13CC[NH+](C)CC3)O[C@@H](C)C2 ZINC000530441957 458767811 /nfs/dbraw/zinc/76/78/11/458767811.db2.gz PEFHIROYISKWQA-HNNXBMFYSA-N 2 1 330.472 3.079 20 0 EGADMP CCc1ccccc1NC(=O)[C@@H](C)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472452300 458796847 /nfs/dbraw/zinc/79/68/47/458796847.db2.gz XJWIBYRGQUFWDX-SJLPKXTDSA-N 2 1 343.515 3.240 20 0 EGADMP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000440617876 458833495 /nfs/dbraw/zinc/83/34/95/458833495.db2.gz ULGXWIFAOWEIJR-VXGBXAGGSA-N 2 1 330.398 3.171 20 0 EGADMP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000440617876 458833498 /nfs/dbraw/zinc/83/34/98/458833498.db2.gz ULGXWIFAOWEIJR-VXGBXAGGSA-N 2 1 330.398 3.171 20 0 EGADMP COC(=O)CC1(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000440784170 458853003 /nfs/dbraw/zinc/85/30/03/458853003.db2.gz MHQSCLZCANBMRN-MJGOQNOKSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)CC1(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000440784170 458853008 /nfs/dbraw/zinc/85/30/08/458853008.db2.gz MHQSCLZCANBMRN-MJGOQNOKSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)CC1(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000440784170 458853012 /nfs/dbraw/zinc/85/30/12/458853012.db2.gz MHQSCLZCANBMRN-MJGOQNOKSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)CC1(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000440784170 458853015 /nfs/dbraw/zinc/85/30/15/458853015.db2.gz MHQSCLZCANBMRN-MJGOQNOKSA-N 2 1 344.499 3.315 20 0 EGADMP CC(C)(C)OC(=O)NC(C)(C)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000495435375 458856072 /nfs/dbraw/zinc/85/60/72/458856072.db2.gz ZJRJMDDUFJMKIF-INIZCTEOSA-N 2 1 339.524 3.240 20 0 EGADMP CC(C)(C)OC(=O)NC(C)(C)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000495435375 458856076 /nfs/dbraw/zinc/85/60/76/458856076.db2.gz ZJRJMDDUFJMKIF-INIZCTEOSA-N 2 1 339.524 3.240 20 0 EGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000457131159 458877783 /nfs/dbraw/zinc/87/77/83/458877783.db2.gz UDOGOQXNRWNAPS-FQEVSTJZSA-N 2 1 343.515 3.227 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000457131160 458878036 /nfs/dbraw/zinc/87/80/36/458878036.db2.gz UDOGOQXNRWNAPS-HXUWFJFHSA-N 2 1 343.515 3.227 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474483630 458888410 /nfs/dbraw/zinc/88/84/10/458888410.db2.gz XWAOEFZOFGUZTP-MELADBBJSA-N 2 1 330.925 3.451 20 0 EGADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000556247228 458942307 /nfs/dbraw/zinc/94/23/07/458942307.db2.gz SNUUEOQHXYVLNZ-AEFFLSMTSA-N 2 1 325.456 3.263 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000519387591 458943092 /nfs/dbraw/zinc/94/30/92/458943092.db2.gz MQQBYLDIQZOARC-LAUBAEHRSA-N 2 1 326.484 3.065 20 0 EGADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC000519437136 458949434 /nfs/dbraw/zinc/94/94/34/458949434.db2.gz ZVBPMBMDYJNNEN-IBGZPJMESA-N 2 1 330.859 3.163 20 0 EGADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC000519437136 458949443 /nfs/dbraw/zinc/94/94/43/458949443.db2.gz ZVBPMBMDYJNNEN-IBGZPJMESA-N 2 1 330.859 3.163 20 0 EGADMP FC(F)(F)c1cccc(OCCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000576943736 458952705 /nfs/dbraw/zinc/95/27/05/458952705.db2.gz VCHQMKLPYFELRC-KGLIPLIRSA-N 2 1 328.378 3.016 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000476202399 458985269 /nfs/dbraw/zinc/98/52/69/458985269.db2.gz ZEGFEECFKXMMEI-INIZCTEOSA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000531899715 458996894 /nfs/dbraw/zinc/99/68/94/458996894.db2.gz MYJCWOVYRYMYIF-HKUYNNGSSA-N 2 1 337.552 3.076 20 0 EGADMP CC[N@H+]1CC[C@H](NCc2ccc(OC(F)F)c(OC)c2)[C@H](C)C1 ZINC000531945282 459004648 /nfs/dbraw/zinc/00/46/48/459004648.db2.gz USQKBSLGPRFXCG-OCCSQVGLSA-N 2 1 328.403 3.117 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(OC)c2)[C@H](C)C1 ZINC000531945282 459004652 /nfs/dbraw/zinc/00/46/52/459004652.db2.gz USQKBSLGPRFXCG-OCCSQVGLSA-N 2 1 328.403 3.117 20 0 EGADMP OC1CC(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000556876608 459025826 /nfs/dbraw/zinc/02/58/26/459025826.db2.gz CTYNAVUBSYGLLS-NPRSCZTNSA-N 2 1 342.527 3.428 20 0 EGADMP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000577408090 459028762 /nfs/dbraw/zinc/02/87/62/459028762.db2.gz GMLUNUNBGFBBFC-CYBMUJFWSA-N 2 1 328.441 3.435 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000556915696 459033252 /nfs/dbraw/zinc/03/32/52/459033252.db2.gz SKQUOBUVFVEDJI-SUMWQHHRSA-N 2 1 326.431 3.442 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c2sccc21 ZINC000567042666 459038745 /nfs/dbraw/zinc/03/87/45/459038745.db2.gz QAWCBDAMKJESDE-BXUZGUMPSA-N 2 1 331.489 3.061 20 0 EGADMP C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000567221383 459068719 /nfs/dbraw/zinc/06/87/19/459068719.db2.gz JMMGISBWFLIAJB-GOEBONIOSA-N 2 1 342.487 3.064 20 0 EGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496124985 459075761 /nfs/dbraw/zinc/07/57/61/459075761.db2.gz QUONLAKZLVNOMK-CVEARBPZSA-N 2 1 339.524 3.286 20 0 EGADMP C[NH+](C)C1(C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CCCCC1 ZINC000577965075 459125188 /nfs/dbraw/zinc/12/51/88/459125188.db2.gz JKVTWZDFZJBUMQ-UHFFFAOYSA-N 2 1 339.430 3.148 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000496284132 459136149 /nfs/dbraw/zinc/13/61/49/459136149.db2.gz NNPBXGZAXWSYQM-CVEARBPZSA-N 2 1 331.460 3.026 20 0 EGADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000567677859 459143591 /nfs/dbraw/zinc/14/35/91/459143591.db2.gz CINXTJYHOYDFBB-UXHICEINSA-N 2 1 348.531 3.287 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ncccc2C)[C@@H](C)C1 ZINC000578102389 459145177 /nfs/dbraw/zinc/14/51/77/459145177.db2.gz HRJYKBRDYODPBB-RBUKOAKNSA-N 2 1 347.547 3.394 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000567696620 459148186 /nfs/dbraw/zinc/14/81/86/459148186.db2.gz DQLJUPAPTVPKOM-HHXXYDBFSA-N 2 1 336.907 3.411 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000567696620 459148189 /nfs/dbraw/zinc/14/81/89/459148189.db2.gz DQLJUPAPTVPKOM-HHXXYDBFSA-N 2 1 336.907 3.411 20 0 EGADMP CC(C)[C@@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)N1CCCC1 ZINC000480535963 459203528 /nfs/dbraw/zinc/20/35/28/459203528.db2.gz AWVIRWTZFWWNDP-WIYYLYMNSA-N 2 1 347.547 3.398 20 0 EGADMP CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786801 459219414 /nfs/dbraw/zinc/21/94/14/459219414.db2.gz NJLTVAKAVWPBDF-SFHVURJKSA-N 2 1 339.568 3.370 20 0 EGADMP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590787103 459219434 /nfs/dbraw/zinc/21/94/34/459219434.db2.gz XBZZRQWUKJYSFP-MJGOQNOKSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000590818983 459231961 /nfs/dbraw/zinc/23/19/61/459231961.db2.gz OVLYUZNSDFDYHK-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP O[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000559071153 459235201 /nfs/dbraw/zinc/23/52/01/459235201.db2.gz LSUZCQIEKSPFBO-CTNGQTDRSA-N 2 1 348.506 3.317 20 0 EGADMP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000568177008 459239275 /nfs/dbraw/zinc/23/92/75/459239275.db2.gz KRAFHCKWBVVPQN-MRXNPFEDSA-N 2 1 344.421 3.230 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000568177008 459239279 /nfs/dbraw/zinc/23/92/79/459239279.db2.gz KRAFHCKWBVVPQN-MRXNPFEDSA-N 2 1 344.421 3.230 20 0 EGADMP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000568177008 459239281 /nfs/dbraw/zinc/23/92/81/459239281.db2.gz KRAFHCKWBVVPQN-MRXNPFEDSA-N 2 1 344.421 3.230 20 0 EGADMP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000568177008 459239286 /nfs/dbraw/zinc/23/92/86/459239286.db2.gz KRAFHCKWBVVPQN-MRXNPFEDSA-N 2 1 344.421 3.230 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000482138374 459292091 /nfs/dbraw/zinc/29/20/91/459292091.db2.gz OHWOGQNOCMQPNA-VJANTYMQSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C(C)C ZINC000560255862 459316842 /nfs/dbraw/zinc/31/68/42/459316842.db2.gz BTLDXJLATFGXFH-PZJWPPBQSA-N 2 1 332.532 3.387 20 0 EGADMP CC(C)C(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)C(C)C ZINC000560255862 459316843 /nfs/dbraw/zinc/31/68/43/459316843.db2.gz BTLDXJLATFGXFH-PZJWPPBQSA-N 2 1 332.532 3.387 20 0 EGADMP COC(=O)c1cc2cc(CN3CCC[C@@]4(CC[N@@H+](C)C4)C3)ccc2o1 ZINC000595507926 459328608 /nfs/dbraw/zinc/32/86/08/459328608.db2.gz RKGQYGGSSZHFES-FQEVSTJZSA-N 2 1 342.439 3.137 20 0 EGADMP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)ccc2o1 ZINC000595507926 459328615 /nfs/dbraw/zinc/32/86/15/459328615.db2.gz RKGQYGGSSZHFES-FQEVSTJZSA-N 2 1 342.439 3.137 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)ccc2o1 ZINC000595507926 459328617 /nfs/dbraw/zinc/32/86/17/459328617.db2.gz RKGQYGGSSZHFES-FQEVSTJZSA-N 2 1 342.439 3.137 20 0 EGADMP COC(=O)c1cc2cc(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)ccc2o1 ZINC000595507926 459328622 /nfs/dbraw/zinc/32/86/22/459328622.db2.gz RKGQYGGSSZHFES-FQEVSTJZSA-N 2 1 342.439 3.137 20 0 EGADMP COC(=O)c1cc2cc(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)ccc2o1 ZINC000595507926 459328626 /nfs/dbraw/zinc/32/86/26/459328626.db2.gz RKGQYGGSSZHFES-FQEVSTJZSA-N 2 1 342.439 3.137 20 0 EGADMP C[C@H]1CCN(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000560528452 459366093 /nfs/dbraw/zinc/36/60/93/459366093.db2.gz GDXDOTOGTVBXQB-PELRDEGISA-N 3 1 329.532 3.361 20 0 EGADMP OCCCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000560538683 459368863 /nfs/dbraw/zinc/36/88/63/459368863.db2.gz YVOKLXJAYDXINV-PWRODBHTSA-N 2 1 330.516 3.429 20 0 EGADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@H](C)C(C)C ZINC000569116329 459400146 /nfs/dbraw/zinc/40/01/46/459400146.db2.gz DAHCBHSQZVMJLD-QGZVFWFLSA-N 2 1 337.552 3.076 20 0 EGADMP CSc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)CCC2 ZINC000569456865 459454247 /nfs/dbraw/zinc/45/42/47/459454247.db2.gz GTBIKCHJAUAVGL-FQEVSTJZSA-N 2 1 347.572 3.403 20 0 EGADMP CC[C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000569707266 459497749 /nfs/dbraw/zinc/49/77/49/459497749.db2.gz XCWBCPJYQNJCOE-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@@H+](C)CCNC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000497433605 459536544 /nfs/dbraw/zinc/53/65/44/459536544.db2.gz GSQZWMVELABPCD-IEBWSBKVSA-N 2 1 348.535 3.017 20 0 EGADMP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CCc2c[nH+]cn2C)cc1F ZINC000573055889 459616775 /nfs/dbraw/zinc/61/67/75/459616775.db2.gz XMLGWXLFNUYWBJ-AEFFLSMTSA-N 2 1 331.435 3.426 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000527521988 459654551 /nfs/dbraw/zinc/65/45/51/459654551.db2.gz SXMCZBPOUJMDDW-SJLPKXTDSA-N 2 1 332.488 3.076 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000573594147 459702895 /nfs/dbraw/zinc/70/28/95/459702895.db2.gz XFBQJEJYZZUSSP-DBXWQHBBSA-N 2 1 336.435 3.274 20 0 EGADMP Fc1ccc(COc2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC000563150304 459725077 /nfs/dbraw/zinc/72/50/77/459725077.db2.gz JSKOBDOLJXXKNB-RTBURBONSA-N 2 1 340.442 3.446 20 0 EGADMP Fc1ccc(COc2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC000563150304 459725083 /nfs/dbraw/zinc/72/50/83/459725083.db2.gz JSKOBDOLJXXKNB-RTBURBONSA-N 2 1 340.442 3.446 20 0 EGADMP CCc1cc(OC)ccc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000501438389 459728267 /nfs/dbraw/zinc/72/82/67/459728267.db2.gz TWXSROPGDBEGQP-CALCHBBNSA-N 2 1 334.504 3.237 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527859133 459761276 /nfs/dbraw/zinc/76/12/76/459761276.db2.gz CUJFOBFDKCQODT-KSSFIOAISA-N 2 1 340.870 3.293 20 0 EGADMP CC(C)c1cccc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000527867985 459762780 /nfs/dbraw/zinc/76/27/80/459762780.db2.gz ZQWZKWCBLRAOIP-KRWDZBQOSA-N 2 1 345.531 3.403 20 0 EGADMP C[C@H](NCC1(C[NH+](C)C)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000545520823 459836421 /nfs/dbraw/zinc/83/64/21/459836421.db2.gz UELOVEMQGFDMPL-SFHVURJKSA-N 2 1 347.547 3.400 20 0 EGADMP C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000545520823 459836426 /nfs/dbraw/zinc/83/64/26/459836426.db2.gz UELOVEMQGFDMPL-SFHVURJKSA-N 2 1 347.547 3.400 20 0 EGADMP CC1=CCN(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000545865173 459864422 /nfs/dbraw/zinc/86/44/22/459864422.db2.gz FXFANJKBIRTSPZ-BHDDXSALSA-N 2 1 339.527 3.139 20 0 EGADMP CC1=CC[N@H+](CCN[C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC1 ZINC000545865173 459864429 /nfs/dbraw/zinc/86/44/29/459864429.db2.gz FXFANJKBIRTSPZ-BHDDXSALSA-N 2 1 339.527 3.139 20 0 EGADMP CC1=CC[N@@H+](CCN[C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC1 ZINC000545865173 459864436 /nfs/dbraw/zinc/86/44/36/459864436.db2.gz FXFANJKBIRTSPZ-BHDDXSALSA-N 2 1 339.527 3.139 20 0 EGADMP CC1=CC[NH+](CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000545865173 459864443 /nfs/dbraw/zinc/86/44/43/459864443.db2.gz FXFANJKBIRTSPZ-BHDDXSALSA-N 2 1 339.527 3.139 20 0 EGADMP CC1=CC[NH+](CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000545865173 459864449 /nfs/dbraw/zinc/86/44/49/459864449.db2.gz FXFANJKBIRTSPZ-BHDDXSALSA-N 2 1 339.527 3.139 20 0 EGADMP CC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000574792265 459873194 /nfs/dbraw/zinc/87/31/94/459873194.db2.gz XZBMHKRCTNIFNN-BQJUDKOJSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000575219141 459951704 /nfs/dbraw/zinc/95/17/04/459951704.db2.gz WHTCBVBYIPIUKJ-AHRSYUTCSA-N 2 1 332.488 3.016 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000575219141 459951711 /nfs/dbraw/zinc/95/17/11/459951711.db2.gz WHTCBVBYIPIUKJ-AHRSYUTCSA-N 2 1 332.488 3.016 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000575219141 459951718 /nfs/dbraw/zinc/95/17/18/459951718.db2.gz WHTCBVBYIPIUKJ-AHRSYUTCSA-N 2 1 332.488 3.016 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000575219141 459951730 /nfs/dbraw/zinc/95/17/30/459951730.db2.gz WHTCBVBYIPIUKJ-AHRSYUTCSA-N 2 1 332.488 3.016 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])ccc2o1 ZINC000593729026 459966164 /nfs/dbraw/zinc/96/61/64/459966164.db2.gz CRXHNKJXZBCRRO-XJKSGUPXSA-N 2 1 330.428 3.169 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)o1 ZINC000618385443 459991635 /nfs/dbraw/zinc/99/16/35/459991635.db2.gz RYGNXOXJONZMLU-HOTGVXAUSA-N 2 1 335.492 3.114 20 0 EGADMP COc1cccc2c1CCC[C@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000575742023 459994006 /nfs/dbraw/zinc/99/40/06/459994006.db2.gz LSOQTWNLFAPHKS-LJQANCHMSA-N 2 1 344.499 3.307 20 0 EGADMP c1[nH]c2nccnc2c1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000575962388 460040337 /nfs/dbraw/zinc/04/03/37/460040337.db2.gz BDLYPTSMXJNWRC-GOSISDBHSA-N 2 1 349.482 3.301 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c2ccccc21 ZINC000621751469 460048022 /nfs/dbraw/zinc/04/80/22/460048022.db2.gz HGETUZKGQYDEOH-PKOBYXMFSA-N 2 1 329.488 3.194 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000589205740 460055175 /nfs/dbraw/zinc/05/51/75/460055175.db2.gz HUZNPUGJMJLCQH-QAPCUYQASA-N 2 1 332.488 3.414 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000589205740 460055169 /nfs/dbraw/zinc/05/51/69/460055169.db2.gz HUZNPUGJMJLCQH-QAPCUYQASA-N 2 1 332.488 3.414 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000589205740 460055171 /nfs/dbraw/zinc/05/51/71/460055171.db2.gz HUZNPUGJMJLCQH-QAPCUYQASA-N 2 1 332.488 3.414 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000589205740 460055176 /nfs/dbraw/zinc/05/51/76/460055176.db2.gz HUZNPUGJMJLCQH-QAPCUYQASA-N 2 1 332.488 3.414 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000614387112 460123938 /nfs/dbraw/zinc/12/39/38/460123938.db2.gz ARZSMSNXFILPJU-CALCHBBNSA-N 2 1 326.488 3.478 20 0 EGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000576402262 460134690 /nfs/dbraw/zinc/13/46/90/460134690.db2.gz APQLJDBDPYHKAE-SFHVURJKSA-N 2 1 333.520 3.167 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000576816729 460218910 /nfs/dbraw/zinc/21/89/10/460218910.db2.gz HDUQUIPBTFWGQV-MRXNPFEDSA-N 2 1 335.467 3.112 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000599311617 460226075 /nfs/dbraw/zinc/22/60/75/460226075.db2.gz ZFLRWTMUBGWTCF-FXAWDEMLSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000599311617 460226079 /nfs/dbraw/zinc/22/60/79/460226079.db2.gz ZFLRWTMUBGWTCF-FXAWDEMLSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000599311617 460226083 /nfs/dbraw/zinc/22/60/83/460226083.db2.gz ZFLRWTMUBGWTCF-FXAWDEMLSA-N 2 1 343.515 3.019 20 0 EGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000622394610 460257766 /nfs/dbraw/zinc/25/77/66/460257766.db2.gz ORSSWWUBFCOUQZ-HKUYNNGSSA-N 2 1 335.536 3.116 20 0 EGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622394610 460257770 /nfs/dbraw/zinc/25/77/70/460257770.db2.gz ORSSWWUBFCOUQZ-HKUYNNGSSA-N 2 1 335.536 3.116 20 0 EGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000622394610 460257774 /nfs/dbraw/zinc/25/77/74/460257774.db2.gz ORSSWWUBFCOUQZ-HKUYNNGSSA-N 2 1 335.536 3.116 20 0 EGADMP Cc1cccc([C@H](CNc2cc[nH+]c3ccccc23)[NH+]2CCOCC2)c1 ZINC000599497174 460262115 /nfs/dbraw/zinc/26/21/15/460262115.db2.gz IYUIQQBOSIIVAV-QFIPXVFZSA-N 2 1 347.462 3.451 20 0 EGADMP C[C@@H]1CC(F)(F)CC[NH+]1CCOCC[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000625980080 460325182 /nfs/dbraw/zinc/32/51/82/460325182.db2.gz AQQNTEUHFQLIMQ-ZIAGYGMSSA-N 2 1 340.405 3.242 20 0 EGADMP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000631576431 460452506 /nfs/dbraw/zinc/45/25/06/460452506.db2.gz AHRBBZOIKZQGET-SFHVURJKSA-N 2 1 342.531 3.106 20 0 EGADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1=O)C(C)(C)C ZINC000604774480 460477877 /nfs/dbraw/zinc/47/78/77/460477877.db2.gz WYEMZBQXOZXXPU-ZWKOTPCHSA-N 2 1 349.494 3.277 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(-c3ccc(F)cc3)nn2)C1 ZINC000623358164 460509943 /nfs/dbraw/zinc/50/99/43/460509943.db2.gz QYLKZCCTPOWKST-MRXNPFEDSA-N 2 1 345.466 3.008 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000635337980 460749143 /nfs/dbraw/zinc/74/91/43/460749143.db2.gz NYLOPMBBNORTGG-HXUWFJFHSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635337980 460749146 /nfs/dbraw/zinc/74/91/46/460749146.db2.gz NYLOPMBBNORTGG-HXUWFJFHSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635337980 460749149 /nfs/dbraw/zinc/74/91/49/460749149.db2.gz NYLOPMBBNORTGG-HXUWFJFHSA-N 2 1 343.515 3.160 20 0 EGADMP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCCc3scnc32)c1 ZINC000623865786 460751352 /nfs/dbraw/zinc/75/13/52/460751352.db2.gz AXRFNQVJOVVDEO-INIZCTEOSA-N 2 1 331.485 3.251 20 0 EGADMP Cc1csc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)n1 ZINC000623889762 460764194 /nfs/dbraw/zinc/76/41/94/460764194.db2.gz VPKZTIJBEJJAOO-HNNXBMFYSA-N 2 1 345.512 3.259 20 0 EGADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535230 460799775 /nfs/dbraw/zinc/79/97/75/460799775.db2.gz BZKDMTFQDGICCN-GYSYKLTISA-N 2 1 329.257 3.249 20 0 EGADMP C[C@@H](Nc1nc(N2CCCC(C)(C)C2)cc[nH+]1)C1CC[NH+](C)CC1 ZINC000623969548 460803327 /nfs/dbraw/zinc/80/33/27/460803327.db2.gz KWAZCXBSZKRKTQ-OAHLLOKOSA-N 2 1 331.508 3.245 20 0 EGADMP CC(C)Oc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629560557 460809041 /nfs/dbraw/zinc/80/90/41/460809041.db2.gz FRRJMWULNHVPFH-HOCLYGCPSA-N 2 1 330.394 3.433 20 0 EGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629560557 460809048 /nfs/dbraw/zinc/80/90/48/460809048.db2.gz FRRJMWULNHVPFH-HOCLYGCPSA-N 2 1 330.394 3.433 20 0 EGADMP CCc1cccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629567731 460812876 /nfs/dbraw/zinc/81/28/76/460812876.db2.gz QNHKCQSEELMBQK-GDBMZVCRSA-N 2 1 330.394 3.087 20 0 EGADMP CCc1cccc(OCC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629567731 460812880 /nfs/dbraw/zinc/81/28/80/460812880.db2.gz QNHKCQSEELMBQK-GDBMZVCRSA-N 2 1 330.394 3.087 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000635596467 460846468 /nfs/dbraw/zinc/84/64/68/460846468.db2.gz TXQYUWMIQVQGLQ-UHFFFAOYSA-N 2 1 340.471 3.136 20 0 EGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629654286 460848740 /nfs/dbraw/zinc/84/87/40/460848740.db2.gz HEXLPOJENJBZHK-GDBMZVCRSA-N 2 1 330.394 3.435 20 0 EGADMP CCCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629654286 460848746 /nfs/dbraw/zinc/84/87/46/460848746.db2.gz HEXLPOJENJBZHK-GDBMZVCRSA-N 2 1 330.394 3.435 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000624120503 460869463 /nfs/dbraw/zinc/86/94/63/460869463.db2.gz AOQKEWYJTNMLNE-IEBWSBKVSA-N 2 1 326.488 3.314 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000624120503 460869470 /nfs/dbraw/zinc/86/94/70/460869470.db2.gz AOQKEWYJTNMLNE-IEBWSBKVSA-N 2 1 326.488 3.314 20 0 EGADMP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635759781 460912527 /nfs/dbraw/zinc/91/25/27/460912527.db2.gz HSNRISJLPRUHGO-FQEVSTJZSA-N 2 1 341.499 3.280 20 0 EGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)CCC(C)C)CC1 ZINC000613502132 460972568 /nfs/dbraw/zinc/97/25/68/460972568.db2.gz DRVJRJCGSUDHFW-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP Cc1cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ncc1Br ZINC000628281432 461071097 /nfs/dbraw/zinc/07/10/97/461071097.db2.gz YWBOFJMABCSXEO-XJKSGUPXSA-N 2 1 338.293 3.069 20 0 EGADMP CCc1nocc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000646161339 461110721 /nfs/dbraw/zinc/11/07/21/461110721.db2.gz XRGUFJATVRURJI-UHFFFAOYSA-N 2 1 328.460 3.371 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ncc(-c4cccs4)o3)C2)C1 ZINC000652349352 461142425 /nfs/dbraw/zinc/14/24/25/461142425.db2.gz LMZPKLGDXGCFQC-RRFJBIMHSA-N 2 1 347.484 3.121 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652354137 461151496 /nfs/dbraw/zinc/15/14/96/461151496.db2.gz NUMFCGCBPCLNGP-HOCLYGCPSA-N 2 1 335.517 3.186 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000668172332 461156658 /nfs/dbraw/zinc/15/66/58/461156658.db2.gz LDUANFGXKZWUAT-XKGZKEIXSA-N 2 1 332.488 3.016 20 0 EGADMP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290054 461167977 /nfs/dbraw/zinc/16/79/77/461167977.db2.gz GUDKQEGOXXDCOG-INIZCTEOSA-N 2 1 349.906 3.299 20 0 EGADMP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293355 461170356 /nfs/dbraw/zinc/17/03/56/461170356.db2.gz GKUDGJUEIOTIEH-INIZCTEOSA-N 2 1 349.906 3.299 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291472 461170521 /nfs/dbraw/zinc/17/05/21/461170521.db2.gz UDJWQXXIOQYCAC-GOEBONIOSA-N 2 1 349.906 3.379 20 0 EGADMP C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294189 461171992 /nfs/dbraw/zinc/17/19/92/461171992.db2.gz PQHWEZSYFWBPCG-WMZOPIPTSA-N 2 1 339.487 3.040 20 0 EGADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662297499 461176299 /nfs/dbraw/zinc/17/62/99/461176299.db2.gz QVBBKFMHRNATQM-PKOBYXMFSA-N 2 1 343.515 3.342 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)[C@@H]1CCC[NH3+] ZINC000662312314 461184382 /nfs/dbraw/zinc/18/43/82/461184382.db2.gz AVDYYNZGRXETBF-CZUORRHYSA-N 2 1 332.423 3.215 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)[C@@H]1CCC[NH3+] ZINC000662313524 461186206 /nfs/dbraw/zinc/18/62/06/461186206.db2.gz UHEGOLJUTDIFQF-MLGOLLRUSA-N 2 1 348.878 3.328 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)c(Cl)c2)[C@@H]1CCC[NH3+] ZINC000662314805 461186778 /nfs/dbraw/zinc/18/67/78/461186778.db2.gz QKVUTEHQTCWLIR-MLGOLLRUSA-N 2 1 341.858 3.257 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000662317673 461190504 /nfs/dbraw/zinc/19/05/04/461190504.db2.gz ZFDMMOOMSGIJGF-NLWGTHIKSA-N 2 1 332.488 3.019 20 0 EGADMP CC(C)N(C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000638015282 461196028 /nfs/dbraw/zinc/19/60/28/461196028.db2.gz JKHIPEWWQZIVHI-UHFFFAOYSA-N 2 1 343.515 3.160 20 0 EGADMP C[NH2+][C@@H](C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1cccc(Cl)c1Cl ZINC000662429832 461239129 /nfs/dbraw/zinc/23/91/29/461239129.db2.gz XSMVBWIAXDONFZ-DZGCQCFKSA-N 2 1 346.302 3.086 20 0 EGADMP CCCN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000646421052 461250091 /nfs/dbraw/zinc/25/00/91/461250091.db2.gz QCDQIFQSQMJFNN-PKOBYXMFSA-N 2 1 344.503 3.184 20 0 EGADMP FC(F)(F)c1ccccc1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655697242 461370465 /nfs/dbraw/zinc/37/04/65/461370465.db2.gz KEZANEOJISXKLU-MRXNPFEDSA-N 2 1 342.405 3.091 20 0 EGADMP c1ccc([C@@H]2C[C@@H](NC[C@@H]3CC[NH+](C4CC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000638360634 461385642 /nfs/dbraw/zinc/38/56/42/461385642.db2.gz XQMQOVCSRINWDI-JLMWRMLUSA-N 2 1 339.527 3.428 20 0 EGADMP c1ccc([C@@H]2C[C@@H](NC[C@@H]3CC[N@@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638360634 461385655 /nfs/dbraw/zinc/38/56/55/461385655.db2.gz XQMQOVCSRINWDI-JLMWRMLUSA-N 2 1 339.527 3.428 20 0 EGADMP c1ccc([C@@H]2C[C@@H](NC[C@@H]3CC[N@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638360634 461385666 /nfs/dbraw/zinc/38/56/66/461385666.db2.gz XQMQOVCSRINWDI-JLMWRMLUSA-N 2 1 339.527 3.428 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000655719506 461389195 /nfs/dbraw/zinc/38/91/95/461389195.db2.gz KIKZDMYTPVBOMS-GOSISDBHSA-N 2 1 326.488 3.311 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000655719506 461389205 /nfs/dbraw/zinc/38/92/05/461389205.db2.gz KIKZDMYTPVBOMS-GOSISDBHSA-N 2 1 326.488 3.311 20 0 EGADMP c1ccc2c(c1)CCS[C@@H]2C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655722074 461391117 /nfs/dbraw/zinc/39/11/17/461391117.db2.gz WDKCRTWBBLGMAZ-AZUAARDMSA-N 2 1 346.540 3.250 20 0 EGADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638383388 461399664 /nfs/dbraw/zinc/39/96/64/461399664.db2.gz FQRVSFZIVBTEJR-ILZDJORESA-N 2 1 343.515 3.249 20 0 EGADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638383388 461399671 /nfs/dbraw/zinc/39/96/71/461399671.db2.gz FQRVSFZIVBTEJR-ILZDJORESA-N 2 1 343.515 3.249 20 0 EGADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000655729767 461400024 /nfs/dbraw/zinc/40/00/24/461400024.db2.gz KCCOBDCKJNBMSZ-FQEVSTJZSA-N 2 1 330.516 3.488 20 0 EGADMP CCO[C@@H]1CCC[NH+](CCC(C)CC[N@@H+]2CCC[C@@H](OCC)C2)C1 ZINC000662943470 461415509 /nfs/dbraw/zinc/41/55/09/461415509.db2.gz OTOPJSSIQQJNMH-WOJBJXKFSA-N 2 1 340.552 3.405 20 0 EGADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCC2(CCCCC2)O1 ZINC000655760434 461427746 /nfs/dbraw/zinc/42/77/46/461427746.db2.gz QDBJZFAZKQLFQI-MOPGFXCFSA-N 2 1 336.520 3.101 20 0 EGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)c1 ZINC000638434290 461427731 /nfs/dbraw/zinc/42/77/31/461427731.db2.gz JXDXEUBIHDOTFJ-QFBILLFUSA-N 2 1 331.504 3.064 20 0 EGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000655780477 461442010 /nfs/dbraw/zinc/44/20/10/461442010.db2.gz NRHVWBTVUHQZOQ-SFHVURJKSA-N 2 1 326.488 3.311 20 0 EGADMP COc1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)sn1 ZINC000659872709 461473401 /nfs/dbraw/zinc/47/34/01/461473401.db2.gz GTLCKSMWOBPFSW-UHFFFAOYSA-N 2 1 345.512 3.496 20 0 EGADMP Cc1noc(CCC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000638576049 461491841 /nfs/dbraw/zinc/49/18/41/461491841.db2.gz MGJPLUJGVNQBLB-PKOBYXMFSA-N 2 1 340.471 3.268 20 0 EGADMP Cc1noc(CCC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000638576049 461491850 /nfs/dbraw/zinc/49/18/50/461491850.db2.gz MGJPLUJGVNQBLB-PKOBYXMFSA-N 2 1 340.471 3.268 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]CC3)cc2)C1 ZINC000653108175 461504643 /nfs/dbraw/zinc/50/46/43/461504643.db2.gz LSWHXTCYXSTJKA-FUHWJXTLSA-N 2 1 329.488 3.247 20 0 EGADMP CC(=O)Nc1cccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC000631055786 461509707 /nfs/dbraw/zinc/50/97/07/461509707.db2.gz GRDHTSGOULJUFH-UHFFFAOYSA-N 2 1 329.488 3.389 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@H]1C ZINC000659983657 461528626 /nfs/dbraw/zinc/52/86/26/461528626.db2.gz RXHRTLHAVVTBIR-SQNIBIBYSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@H]1C ZINC000659983657 461528634 /nfs/dbraw/zinc/52/86/34/461528634.db2.gz RXHRTLHAVVTBIR-SQNIBIBYSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@H]1C ZINC000659983657 461528645 /nfs/dbraw/zinc/52/86/45/461528645.db2.gz RXHRTLHAVVTBIR-SQNIBIBYSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000659990933 461533249 /nfs/dbraw/zinc/53/32/49/461533249.db2.gz RVPFUYOTVRYXPU-SBHAEUEKSA-N 2 1 329.532 3.171 20 0 EGADMP CO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CCOCC1 ZINC000638722329 461549029 /nfs/dbraw/zinc/54/90/29/461549029.db2.gz QVDVGLAWPOWUAK-JRGCBEDISA-N 2 1 346.515 3.071 20 0 EGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CCOCC1 ZINC000638722329 461549036 /nfs/dbraw/zinc/54/90/36/461549036.db2.gz QVDVGLAWPOWUAK-JRGCBEDISA-N 2 1 346.515 3.071 20 0 EGADMP CC[N@@H+](CCCNC(=O)c1ccc([C@@H](C)[NH3+])cc1)C1CCCCC1 ZINC000653200784 461555140 /nfs/dbraw/zinc/55/51/40/461555140.db2.gz PXZJSDCKQHPDOW-MRXNPFEDSA-N 2 1 331.504 3.481 20 0 EGADMP CC[N@@H+](CCCNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000653200510 461555286 /nfs/dbraw/zinc/55/52/86/461555286.db2.gz GYYQVHZXLUEECQ-MSOLQXFVSA-N 2 1 337.552 3.173 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631129722 461575688 /nfs/dbraw/zinc/57/56/88/461575688.db2.gz QVLQMCYKRZGZHP-SFHVURJKSA-N 2 1 325.456 3.178 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631129722 461575699 /nfs/dbraw/zinc/57/56/99/461575699.db2.gz QVLQMCYKRZGZHP-SFHVURJKSA-N 2 1 325.456 3.178 20 0 EGADMP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)n1-c1ccccc1 ZINC000663346225 461576105 /nfs/dbraw/zinc/57/61/05/461576105.db2.gz RAINEFXFTRPROR-IBGZPJMESA-N 2 1 338.499 3.392 20 0 EGADMP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)n1-c1ccccc1 ZINC000663346225 461576115 /nfs/dbraw/zinc/57/61/15/461576115.db2.gz RAINEFXFTRPROR-IBGZPJMESA-N 2 1 338.499 3.392 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@H]1n1ccnc1 ZINC000660112293 461586971 /nfs/dbraw/zinc/58/69/71/461586971.db2.gz JOKHCUQDQFNHME-FGTMMUONSA-N 2 1 346.519 3.051 20 0 EGADMP CC(C)C(=O)NCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638805473 461587760 /nfs/dbraw/zinc/58/77/60/461587760.db2.gz JACBTZNWDCNTTQ-AZUAARDMSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)C(=O)NCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638805473 461587769 /nfs/dbraw/zinc/58/77/69/461587769.db2.gz JACBTZNWDCNTTQ-AZUAARDMSA-N 2 1 343.515 3.106 20 0 EGADMP C[C@H]([NH3+])CNc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000643036162 461594608 /nfs/dbraw/zinc/59/46/08/461594608.db2.gz QRHRUBUDOQDMSA-LBPRGKRZSA-N 2 1 341.484 3.179 20 0 EGADMP Fc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc12 ZINC000631177603 461615832 /nfs/dbraw/zinc/61/58/32/461615832.db2.gz LQZMGSRQAGQGRX-KRWDZBQOSA-N 2 1 328.431 3.322 20 0 EGADMP COCc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000631196853 461636975 /nfs/dbraw/zinc/63/69/75/461636975.db2.gz VTQHGBHKQMYJFO-SJLPKXTDSA-N 2 1 328.456 3.284 20 0 EGADMP COCc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000631196853 461636984 /nfs/dbraw/zinc/63/69/84/461636984.db2.gz VTQHGBHKQMYJFO-SJLPKXTDSA-N 2 1 328.456 3.284 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(F)c1N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638915397 461648074 /nfs/dbraw/zinc/64/80/74/461648074.db2.gz LQTUDZYSJRLTGL-QAPCUYQASA-N 2 1 327.447 3.408 20 0 EGADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)C2 ZINC000663464646 461653418 /nfs/dbraw/zinc/65/34/18/461653418.db2.gz FOAIDVYTNSVGBB-MJGOQNOKSA-N 2 1 328.500 3.264 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000663466257 461655990 /nfs/dbraw/zinc/65/59/90/461655990.db2.gz QDTUWYIUWYBWBO-WMZOPIPTSA-N 2 1 343.515 3.161 20 0 EGADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470140 461660323 /nfs/dbraw/zinc/66/03/23/461660323.db2.gz SJSUZGZVYTUAEA-PKOBYXMFSA-N 2 1 343.515 3.424 20 0 EGADMP OCC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCCC1 ZINC000639057368 461697047 /nfs/dbraw/zinc/69/70/47/461697047.db2.gz ZTHKIXLVIRYMLI-ICSRJNTNSA-N 2 1 328.500 3.497 20 0 EGADMP OCC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCCC1 ZINC000639057368 461697050 /nfs/dbraw/zinc/69/70/50/461697050.db2.gz ZTHKIXLVIRYMLI-ICSRJNTNSA-N 2 1 328.500 3.497 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@@H+](C)C[C@H]1CCc3nccn3C1)CC2 ZINC000639076642 461709171 /nfs/dbraw/zinc/70/91/71/461709171.db2.gz GWVBPRZLCPJDLT-RHSMWYFYSA-N 2 1 341.455 3.082 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+](C)C[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC000639076642 461709182 /nfs/dbraw/zinc/70/91/82/461709182.db2.gz GWVBPRZLCPJDLT-RHSMWYFYSA-N 2 1 341.455 3.082 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@@H+](C)C[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC000639076642 461709194 /nfs/dbraw/zinc/70/91/94/461709194.db2.gz GWVBPRZLCPJDLT-RHSMWYFYSA-N 2 1 341.455 3.082 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000663584001 461712645 /nfs/dbraw/zinc/71/26/45/461712645.db2.gz ZZERVOCMVHSCKG-HXUWFJFHSA-N 2 1 344.503 3.325 20 0 EGADMP c1ccc(COc2cccc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)c2)nc1 ZINC000647483040 461731014 /nfs/dbraw/zinc/73/10/14/461731014.db2.gz TZYHMTNFKJNXTR-UHFFFAOYSA-N 2 1 337.467 3.377 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2[C@H]2CCCOC2)cc1 ZINC000656406071 461736628 /nfs/dbraw/zinc/73/66/28/461736628.db2.gz LTPUKYYTSOGRNO-WHZJULEDSA-N 2 1 326.484 3.008 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2[C@H]2CCCOC2)cc1 ZINC000656406071 461736634 /nfs/dbraw/zinc/73/66/34/461736634.db2.gz LTPUKYYTSOGRNO-WHZJULEDSA-N 2 1 326.484 3.008 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2[C@H]2CCCOC2)cc1 ZINC000656406071 461736640 /nfs/dbraw/zinc/73/66/40/461736640.db2.gz LTPUKYYTSOGRNO-WHZJULEDSA-N 2 1 326.484 3.008 20 0 EGADMP Fc1ccc(Br)c2c1CC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522666 461751986 /nfs/dbraw/zinc/75/19/86/461751986.db2.gz RJYPCEHRAMAQDG-IINYFYTJSA-N 2 1 327.241 3.307 20 0 EGADMP Brc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543044 461757324 /nfs/dbraw/zinc/75/73/24/461757324.db2.gz GXDFBRALKSRJME-ZIAGYGMSSA-N 2 1 338.293 3.056 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000647544509 461759144 /nfs/dbraw/zinc/75/91/44/461759144.db2.gz BVUUJZFLZULOLA-IAGOWNOFSA-N 2 1 342.487 3.200 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3cc(F)ccc3[C@@H]2C)CC1 ZINC000669690178 461768382 /nfs/dbraw/zinc/76/83/82/461768382.db2.gz ADXVAEKBEVLHTG-KRWDZBQOSA-N 2 1 333.495 3.161 20 0 EGADMP OC[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000639194860 461796138 /nfs/dbraw/zinc/79/61/38/461796138.db2.gz NNSBKRQXSDYONK-SESVDKBCSA-N 2 1 328.500 3.495 20 0 EGADMP OC[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000639194860 461796142 /nfs/dbraw/zinc/79/61/42/461796142.db2.gz NNSBKRQXSDYONK-SESVDKBCSA-N 2 1 328.500 3.495 20 0 EGADMP FC(F)CN1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639272829 461837338 /nfs/dbraw/zinc/83/73/38/461837338.db2.gz OIKGQSMZMPHMRQ-LNLFQRSKSA-N 2 1 349.469 3.284 20 0 EGADMP FC(F)CN1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639272829 461837344 /nfs/dbraw/zinc/83/73/44/461837344.db2.gz OIKGQSMZMPHMRQ-LNLFQRSKSA-N 2 1 349.469 3.284 20 0 EGADMP CCCOc1ccc(Br)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666855458 461837693 /nfs/dbraw/zinc/83/76/93/461837693.db2.gz SKLSIAMSRYKGFU-OAHLLOKOSA-N 2 1 341.293 3.470 20 0 EGADMP CC(C)[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1CC[NH2+]C1 ZINC000647877514 461866603 /nfs/dbraw/zinc/86/66/03/461866603.db2.gz SQXXDRKRSCEGCR-LBPRGKRZSA-N 2 1 329.257 3.408 20 0 EGADMP CC(C)[N@H+](Cc1cc(Br)ccc1F)C[C@H]1CC[NH2+]C1 ZINC000647877514 461866609 /nfs/dbraw/zinc/86/66/09/461866609.db2.gz SQXXDRKRSCEGCR-LBPRGKRZSA-N 2 1 329.257 3.408 20 0 EGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1CNc1[nH+]ccc2[nH]ccc21 ZINC000647877944 461867018 /nfs/dbraw/zinc/86/70/18/461867018.db2.gz JGTVJFJDVCRDSQ-QGZVFWFLSA-N 2 1 336.439 3.132 20 0 EGADMP CC[C@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000647936517 461893929 /nfs/dbraw/zinc/89/39/29/461893929.db2.gz GPRCCVFJKVJEEN-PXNSSMCTSA-N 2 1 337.467 3.498 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000647936517 461893933 /nfs/dbraw/zinc/89/39/33/461893933.db2.gz GPRCCVFJKVJEEN-PXNSSMCTSA-N 2 1 337.467 3.498 20 0 EGADMP Cn1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(-c2cccs2)n1 ZINC000656784025 461894223 /nfs/dbraw/zinc/89/42/23/461894223.db2.gz XTWVODRWVBVVPY-MRXNPFEDSA-N 2 1 344.528 3.360 20 0 EGADMP [NH3+]C1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CCCC1 ZINC000656789759 461898868 /nfs/dbraw/zinc/89/88/68/461898868.db2.gz XMHKACUZRJDNHQ-UHFFFAOYSA-N 2 1 347.466 3.295 20 0 EGADMP CC(C)COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650706071 461899903 /nfs/dbraw/zinc/89/99/03/461899903.db2.gz CUWXSIGIAUQVQD-ZJOUEHCJSA-N 2 1 346.515 3.440 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000650706224 461900161 /nfs/dbraw/zinc/90/01/61/461900161.db2.gz GQWHWLCBVLDFQY-USXIJHARSA-N 2 1 342.405 3.424 20 0 EGADMP C[C@H](CCc1ccccc1)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707875 461901181 /nfs/dbraw/zinc/90/11/81/461901181.db2.gz OSCXGFCCAQEPDY-HZEGPAAWSA-N 2 1 330.516 3.474 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709036 461902648 /nfs/dbraw/zinc/90/26/48/461902648.db2.gz ZVZVJXUBRDNMEJ-FPOVZHCZSA-N 2 1 338.499 3.109 20 0 EGADMP COc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc(Cl)c1OC ZINC000650711362 461905732 /nfs/dbraw/zinc/90/57/32/461905732.db2.gz QWZHRGUHNJTDTJ-SWLSCSKDSA-N 2 1 326.868 3.307 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc(Cl)c1OC ZINC000650711362 461905737 /nfs/dbraw/zinc/90/57/37/461905737.db2.gz QWZHRGUHNJTDTJ-SWLSCSKDSA-N 2 1 326.868 3.307 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)[C@H]1CC[NH3+] ZINC000650711081 461905843 /nfs/dbraw/zinc/90/58/43/461905843.db2.gz HPFKNZMBOZMOJS-YJBOKZPZSA-N 2 1 326.444 3.218 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@@H](C)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660655099 461906167 /nfs/dbraw/zinc/90/61/67/461906167.db2.gz KKRKJHYYSJJZQK-YLJYHZDGSA-N 2 1 329.488 3.048 20 0 EGADMP COc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c(OC(F)F)c1 ZINC000650717858 461910122 /nfs/dbraw/zinc/91/01/22/461910122.db2.gz ORGKCIXWPQOBGD-UHFFFAOYSA-N 2 1 340.345 3.184 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cnc3ccccc3c2)C1 ZINC000650723461 461914228 /nfs/dbraw/zinc/91/42/28/461914228.db2.gz OKBBZXQUAGOSRQ-RLLQIKCJSA-N 2 1 325.456 3.096 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2F)C1 ZINC000650723715 461915699 /nfs/dbraw/zinc/91/56/99/461915699.db2.gz SGDXEZUDPTVSGP-OIISXLGYSA-N 2 1 326.843 3.340 20 0 EGADMP CC(C)Cc1ncc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650723822 461916252 /nfs/dbraw/zinc/91/62/52/461916252.db2.gz UOHVXIKXLTZZEH-DJIMGWMZSA-N 2 1 337.533 3.202 20 0 EGADMP Cc1ccccc1-c1noc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647975741 461916693 /nfs/dbraw/zinc/91/66/93/461916693.db2.gz FKCQFHMLOSCOSN-DLBZAZTESA-N 2 1 340.471 3.257 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2F)C1 ZINC000650723640 461917070 /nfs/dbraw/zinc/91/70/70/461917070.db2.gz RHQBFKAQCMJNHP-HYVNUMGLSA-N 2 1 326.843 3.340 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647976105 461917781 /nfs/dbraw/zinc/91/77/81/461917781.db2.gz KCJOLKOQJIZARY-RCCFBDPRSA-N 2 1 329.488 3.034 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000647976110 461918540 /nfs/dbraw/zinc/91/85/40/461918540.db2.gz KECWMMSEWRHIQK-BBWFWOEESA-N 2 1 347.478 3.173 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000647976623 461919074 /nfs/dbraw/zinc/91/90/74/461919074.db2.gz RFQPPESCWCSKCH-FHWLQOOXSA-N 2 1 343.515 3.342 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000667039615 461924498 /nfs/dbraw/zinc/92/44/98/461924498.db2.gz ZUPWQKWSPGWLMK-ZBFHGGJFSA-N 2 1 338.455 3.250 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000648009714 461936750 /nfs/dbraw/zinc/93/67/50/461936750.db2.gz TXSJYIMZLPZHGF-GOSISDBHSA-N 2 1 342.487 3.439 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000648009714 461936759 /nfs/dbraw/zinc/93/67/59/461936759.db2.gz TXSJYIMZLPZHGF-GOSISDBHSA-N 2 1 342.487 3.439 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000650763288 461942470 /nfs/dbraw/zinc/94/24/70/461942470.db2.gz WYDXEDQJAHXAFY-FKBYEOEOSA-N 3 1 341.543 3.266 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000648047957 461958398 /nfs/dbraw/zinc/95/83/98/461958398.db2.gz VJWRVCCLEWNVPW-UYAOXDASSA-N 2 1 332.488 3.018 20 0 EGADMP C[NH+](C)[C@H](C[NH2+]CCC(=O)Nc1ccccc1F)C1CCCCC1 ZINC000644520547 461968328 /nfs/dbraw/zinc/96/83/28/461968328.db2.gz BHRFJKFGMXIWIH-GOSISDBHSA-N 2 1 335.467 3.254 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCc1ccc(Cl)s1 ZINC000644523368 461969865 /nfs/dbraw/zinc/96/98/65/461969865.db2.gz QURXGYVPCHXJKK-HNNXBMFYSA-N 2 1 338.904 3.027 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCc1ccc(Cl)s1 ZINC000644523368 461969874 /nfs/dbraw/zinc/96/98/74/461969874.db2.gz QURXGYVPCHXJKK-HNNXBMFYSA-N 2 1 338.904 3.027 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000644653119 462023910 /nfs/dbraw/zinc/02/39/10/462023910.db2.gz VDUXGBSLBVDHCL-VXKWHMMOSA-N 2 1 338.495 3.263 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000644653119 462023917 /nfs/dbraw/zinc/02/39/17/462023917.db2.gz VDUXGBSLBVDHCL-VXKWHMMOSA-N 2 1 338.495 3.263 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000644652058 462024247 /nfs/dbraw/zinc/02/42/47/462024247.db2.gz LZGOEAJMVXLVMY-QZTJIDSGSA-N 2 1 340.458 3.285 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000644652058 462024252 /nfs/dbraw/zinc/02/42/52/462024252.db2.gz LZGOEAJMVXLVMY-QZTJIDSGSA-N 2 1 340.458 3.285 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)o1 ZINC000644826202 462092317 /nfs/dbraw/zinc/09/23/17/462092317.db2.gz JBNOHDUZOCEKSK-MRXNPFEDSA-N 2 1 347.503 3.068 20 0 EGADMP Cc1c(Br)cncc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000667587123 462160071 /nfs/dbraw/zinc/16/00/71/462160071.db2.gz HUKDAMHNDCTEEZ-CQSZACIVSA-N 2 1 335.249 3.186 20 0 EGADMP Cc1c(Br)cncc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000667587123 462160074 /nfs/dbraw/zinc/16/00/74/462160074.db2.gz HUKDAMHNDCTEEZ-CQSZACIVSA-N 2 1 335.249 3.186 20 0 EGADMP CN(Cc1ccnn1CC1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667620924 462177065 /nfs/dbraw/zinc/17/70/65/462177065.db2.gz UPAYTSOJCJRWPM-HXUWFJFHSA-N 2 1 338.499 3.247 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667672815 462206029 /nfs/dbraw/zinc/20/60/29/462206029.db2.gz HWFAYZXLWOVTFH-UYAOXDASSA-N 2 1 332.488 3.018 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667672815 462206035 /nfs/dbraw/zinc/20/60/35/462206035.db2.gz HWFAYZXLWOVTFH-UYAOXDASSA-N 2 1 332.488 3.018 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000648814797 462289312 /nfs/dbraw/zinc/28/93/12/462289312.db2.gz SMXIBANQUFUSDK-QGZVFWFLSA-N 2 1 348.535 3.271 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc3cnccc3o2)[C@H](C)C1 ZINC000651710232 462310566 /nfs/dbraw/zinc/31/05/66/462310566.db2.gz VIKAPXHRMJBSRF-QAPCUYQASA-N 2 1 331.460 3.054 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3cnccc3o2)[C@H](C)C1 ZINC000651710232 462310570 /nfs/dbraw/zinc/31/05/70/462310570.db2.gz VIKAPXHRMJBSRF-QAPCUYQASA-N 2 1 331.460 3.054 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3c2CCC3)[C@H](C)C1 ZINC000651709572 462310680 /nfs/dbraw/zinc/31/06/80/462310680.db2.gz AFXPWTHMFWBFIX-DYESRHJHSA-N 2 1 330.516 3.402 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc3cnccc3o2)[C@H](C)C1 ZINC000651710230 462311013 /nfs/dbraw/zinc/31/10/13/462311013.db2.gz VIKAPXHRMJBSRF-CRAIPNDOSA-N 2 1 331.460 3.054 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc3cnccc3o2)[C@H](C)C1 ZINC000651710230 462311014 /nfs/dbraw/zinc/31/10/14/462311014.db2.gz VIKAPXHRMJBSRF-CRAIPNDOSA-N 2 1 331.460 3.054 20 0 EGADMP C[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000658090808 462380407 /nfs/dbraw/zinc/38/04/07/462380407.db2.gz JRLDQNABJAEXLX-WMZOPIPTSA-N 2 1 333.520 3.150 20 0 EGADMP C[C@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000658090808 462380413 /nfs/dbraw/zinc/38/04/13/462380413.db2.gz JRLDQNABJAEXLX-WMZOPIPTSA-N 2 1 333.520 3.150 20 0 EGADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000658229008 462435789 /nfs/dbraw/zinc/43/57/89/462435789.db2.gz NXCDEOYWBZPNOM-SQNIBIBYSA-N 2 1 330.520 3.443 20 0 EGADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000658229008 462435794 /nfs/dbraw/zinc/43/57/94/462435794.db2.gz NXCDEOYWBZPNOM-SQNIBIBYSA-N 2 1 330.520 3.443 20 0 EGADMP Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000649411917 462502225 /nfs/dbraw/zinc/50/22/25/462502225.db2.gz URAXALQPXQMHJU-IBGZPJMESA-N 2 1 326.488 3.490 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CCC(C)(C)C)CC2)CC1 ZINC000655159475 462502651 /nfs/dbraw/zinc/50/26/51/462502651.db2.gz ZJONWSMFIYMRDU-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CCn1c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc2c1cccc2F ZINC000649417829 462504430 /nfs/dbraw/zinc/50/44/30/462504430.db2.gz KBLRSIKTCCRLCQ-HOTGVXAUSA-N 2 1 344.478 3.407 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc1 ZINC000646105865 462518735 /nfs/dbraw/zinc/51/87/35/462518735.db2.gz KCRJWMXKRMEHRG-UZLBHIALSA-N 2 1 337.467 3.053 20 0 EGADMP Cc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)s1 ZINC000158428066 534226367 /nfs/dbraw/zinc/22/63/67/534226367.db2.gz NWBSDMWKMDDVKB-HNNXBMFYSA-N 2 1 330.501 3.054 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000183749340 527985376 /nfs/dbraw/zinc/98/53/76/527985376.db2.gz QIRACMHSNKAPRZ-CQSZACIVSA-N 2 1 340.309 3.302 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000183749340 527985381 /nfs/dbraw/zinc/98/53/81/527985381.db2.gz QIRACMHSNKAPRZ-CQSZACIVSA-N 2 1 340.309 3.302 20 0 EGADMP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000177877454 528551579 /nfs/dbraw/zinc/55/15/79/528551579.db2.gz APGULFRXZKTHLX-TXPKVOOTSA-N 2 1 331.504 3.035 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)Nc1ccccc1C ZINC000191484245 528862489 /nfs/dbraw/zinc/86/24/89/528862489.db2.gz CEKUKASVMIXBGA-UHFFFAOYSA-N 2 1 342.487 3.495 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)Nc1ccccc1C ZINC000191484245 528862493 /nfs/dbraw/zinc/86/24/93/528862493.db2.gz CEKUKASVMIXBGA-UHFFFAOYSA-N 2 1 342.487 3.495 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc2c1OCCO2 ZINC000191514730 528864905 /nfs/dbraw/zinc/86/49/05/528864905.db2.gz HTHWNIKVKLLROC-UHFFFAOYSA-N 2 1 329.444 3.129 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc2c1OCCO2 ZINC000191514730 528864906 /nfs/dbraw/zinc/86/49/06/528864906.db2.gz HTHWNIKVKLLROC-UHFFFAOYSA-N 2 1 329.444 3.129 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccc(F)cc2)C2CC2)CC1 ZINC000191377788 529041198 /nfs/dbraw/zinc/04/11/98/529041198.db2.gz KMAKRUWQNAZIDX-UHFFFAOYSA-N 2 1 333.495 3.206 20 0 EGADMP CC1(C)C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C(C)(C)O1 ZINC000182237303 529139697 /nfs/dbraw/zinc/13/96/97/529139697.db2.gz VEEQYGRFUOJDLP-RTBURBONSA-N 2 1 346.515 3.079 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000154485815 529143615 /nfs/dbraw/zinc/14/36/15/529143615.db2.gz SWXRWXIZDUGSTD-CQSZACIVSA-N 2 1 343.437 3.172 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000354678656 535579648 /nfs/dbraw/zinc/57/96/48/535579648.db2.gz UUYYXAXKVKSTJC-GBESFXJTSA-N 2 1 337.552 3.268 20 0 EGADMP CCCN1CCC([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000125444474 546752365 /nfs/dbraw/zinc/75/23/65/546752365.db2.gz CEQYDVRAMSHBMG-UHFFFAOYSA-N 2 1 335.561 3.424 20 0 EGADMP COc1ccccc1[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCCC1 ZINC000165963280 546985087 /nfs/dbraw/zinc/98/50/87/546985087.db2.gz JMBYSRPTJQBOLI-NSHGMRRFSA-N 2 1 343.515 3.049 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCCC1 ZINC000165963280 546985091 /nfs/dbraw/zinc/98/50/91/546985091.db2.gz JMBYSRPTJQBOLI-NSHGMRRFSA-N 2 1 343.515 3.049 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCCC1 ZINC000165963280 546985095 /nfs/dbraw/zinc/98/50/95/546985095.db2.gz JMBYSRPTJQBOLI-NSHGMRRFSA-N 2 1 343.515 3.049 20 0 EGADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC(F)F ZINC000166432929 546988140 /nfs/dbraw/zinc/98/81/40/546988140.db2.gz QZYSYCGLOCSAHU-LSDHHAIUSA-N 2 1 340.414 3.056 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCSc3c(F)cccc32)CCCO1 ZINC000278436860 547362746 /nfs/dbraw/zinc/36/27/46/547362746.db2.gz HFSSEJRVSUGBOI-YOEHRIQHSA-N 2 1 338.492 3.453 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCSc3c(F)cccc32)CCCO1 ZINC000278436860 547362750 /nfs/dbraw/zinc/36/27/50/547362750.db2.gz HFSSEJRVSUGBOI-YOEHRIQHSA-N 2 1 338.492 3.453 20 0 EGADMP Cc1cc(NCc2ccc(OC3CC[NH+](C)CC3)cc2)nc(C)[nH+]1 ZINC000286540677 547395657 /nfs/dbraw/zinc/39/56/57/547395657.db2.gz SVGPMTYJASETRX-UHFFFAOYSA-N 2 1 326.444 3.179 20 0 EGADMP c1csc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000339065410 547567399 /nfs/dbraw/zinc/56/73/99/547567399.db2.gz BHNVRNTUYVAAOD-ROUUACIJSA-N 3 1 333.545 3.177 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000339236668 547571736 /nfs/dbraw/zinc/57/17/36/547571736.db2.gz HAOQWGYWMNCNLI-MSOLQXFVSA-N 2 1 347.503 3.187 20 0 EGADMP C[C@H](Cc1cccs1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000675724191 548968350 /nfs/dbraw/zinc/96/83/50/548968350.db2.gz KEDJQVFVUMPVPU-WBVHZDCISA-N 2 1 349.569 3.319 20 0 EGADMP Cc1nc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)s1 ZINC000676840037 549165613 /nfs/dbraw/zinc/16/56/13/549165613.db2.gz WFUPOIAFMFVVGN-MJBXVCDLSA-N 2 1 325.522 3.300 20 0 EGADMP CCn1ccnc1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000677129213 549214340 /nfs/dbraw/zinc/21/43/40/549214340.db2.gz OACVNYBXIAGLQE-PKOBYXMFSA-N 2 1 326.488 3.293 20 0 EGADMP Fc1ccc(Br)cc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677238067 549234640 /nfs/dbraw/zinc/23/46/40/549234640.db2.gz VTXOZRQWMDEXHQ-GJZGRUSLSA-N 2 1 341.268 3.347 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000677240104 549235424 /nfs/dbraw/zinc/23/54/24/549235424.db2.gz SYULIDBEBVXSKH-ZQONDGBOSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000677240104 549235428 /nfs/dbraw/zinc/23/54/28/549235428.db2.gz SYULIDBEBVXSKH-ZQONDGBOSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677240104 549235431 /nfs/dbraw/zinc/23/54/31/549235431.db2.gz SYULIDBEBVXSKH-ZQONDGBOSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000677240104 549235434 /nfs/dbraw/zinc/23/54/34/549235434.db2.gz SYULIDBEBVXSKH-ZQONDGBOSA-N 3 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000677240104 549235439 /nfs/dbraw/zinc/23/54/39/549235439.db2.gz SYULIDBEBVXSKH-ZQONDGBOSA-N 3 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000677240104 549235442 /nfs/dbraw/zinc/23/54/42/549235442.db2.gz SYULIDBEBVXSKH-ZQONDGBOSA-N 3 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677240104 549235445 /nfs/dbraw/zinc/23/54/45/549235445.db2.gz SYULIDBEBVXSKH-ZQONDGBOSA-N 3 1 341.543 3.359 20 0 EGADMP C/C(=C/c1ccccc1)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000678285798 549460364 /nfs/dbraw/zinc/46/03/64/549460364.db2.gz GOFHVVLBXXPPTN-UUNCMCMBSA-N 2 1 327.516 3.048 20 0 EGADMP CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1)CC(C)C ZINC000678654106 549543255 /nfs/dbraw/zinc/54/32/55/549543255.db2.gz WSAMSTBTKJJUBF-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1)CC(C)C ZINC000678654106 549543260 /nfs/dbraw/zinc/54/32/60/549543260.db2.gz WSAMSTBTKJJUBF-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1)CC(C)C ZINC000678654106 549543266 /nfs/dbraw/zinc/54/32/66/549543266.db2.gz WSAMSTBTKJJUBF-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncn1 ZINC000679721186 549768344 /nfs/dbraw/zinc/76/83/44/549768344.db2.gz JLRIRAUJHTZXCS-HLAWJBBLSA-N 2 1 336.483 3.175 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ncn1 ZINC000679721186 549768346 /nfs/dbraw/zinc/76/83/46/549768346.db2.gz JLRIRAUJHTZXCS-HLAWJBBLSA-N 2 1 336.483 3.175 20 0 EGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000680651581 549890549 /nfs/dbraw/zinc/89/05/49/549890549.db2.gz YPJTYKJOLBXLNR-UHFFFAOYSA-N 2 1 344.499 3.164 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C2CC2)O1 ZINC000684411148 550326815 /nfs/dbraw/zinc/32/68/15/550326815.db2.gz BBLSVHFXPXWYMC-DYESRHJHSA-N 2 1 344.499 3.161 20 0 EGADMP COC1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCOCC1 ZINC000684836530 550374723 /nfs/dbraw/zinc/37/47/23/550374723.db2.gz XVQVHKARBKGDER-UHFFFAOYSA-N 2 1 346.515 3.215 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cccnc32)[C@H](C)C1 ZINC000684957880 550388167 /nfs/dbraw/zinc/38/81/67/550388167.db2.gz ZKYBISCUAAUMFU-NEWSRXKRSA-N 2 1 331.504 3.186 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3cccnc32)[C@H](C)C1 ZINC000684957880 550388170 /nfs/dbraw/zinc/38/81/70/550388170.db2.gz ZKYBISCUAAUMFU-NEWSRXKRSA-N 2 1 331.504 3.186 20 0 EGADMP C[C@H](CCc1ccccc1)C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457617 550418971 /nfs/dbraw/zinc/41/89/71/550418971.db2.gz HCAXZUUUIBWJNG-DENIHFKCSA-N 2 1 343.559 3.356 20 0 EGADMP CC[C@@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457572 550419159 /nfs/dbraw/zinc/41/91/59/550419159.db2.gz FGNCGRMMCMDTHX-GHTZIAJQSA-N 2 1 329.532 3.281 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000685464424 550420250 /nfs/dbraw/zinc/42/02/50/550420250.db2.gz IAVHVQKENXHLGQ-WOJBJXKFSA-N 2 1 346.515 3.266 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000728572144 574759269 /nfs/dbraw/zinc/75/92/69/574759269.db2.gz SKSBUSOXISOCBG-GOSISDBHSA-N 2 1 326.431 3.050 20 0 EGADMP Cc1c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)sc2nc(C)nc(C)c12 ZINC000742733867 576794476 /nfs/dbraw/zinc/79/44/76/576794476.db2.gz HMALJUHWYFLHJK-OAHLLOKOSA-N 2 1 332.517 3.436 20 0 EGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000069783936 1292252044 /nfs/dbraw/zinc/25/20/44/1292252044.db2.gz YXBPJAQBVNSKTL-QGZVFWFLSA-N 2 1 326.488 3.392 20 0 EGADMP O=C1O[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CN1C1CCCCC1 ZINC000827930282 1292405166 /nfs/dbraw/zinc/40/51/66/1292405166.db2.gz JSQHBZJNGYIUBM-MJGOQNOKSA-N 2 1 349.519 3.090 20 0 EGADMP O=C1O[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CN1C1CCCCC1 ZINC000827930282 1292405170 /nfs/dbraw/zinc/40/51/70/1292405170.db2.gz JSQHBZJNGYIUBM-MJGOQNOKSA-N 2 1 349.519 3.090 20 0 EGADMP C[NH+](C)C1(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CCCCC1 ZINC000078965957 1292537229 /nfs/dbraw/zinc/53/72/29/1292537229.db2.gz FGFNXGLTPXPKJY-UHFFFAOYSA-N 2 1 339.524 3.240 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000083114245 1292679277 /nfs/dbraw/zinc/67/92/77/1292679277.db2.gz VTJRWOJQRJBJOJ-QGZVFWFLSA-N 2 1 348.516 3.002 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000083114245 1292679288 /nfs/dbraw/zinc/67/92/88/1292679288.db2.gz VTJRWOJQRJBJOJ-QGZVFWFLSA-N 2 1 348.516 3.002 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c[nH]nc2-c2cccnc2)c1 ZINC000105449249 1293035896 /nfs/dbraw/zinc/03/58/96/1293035896.db2.gz GCCFACHXXVVNIM-UHFFFAOYSA-N 2 1 335.455 3.213 20 0 EGADMP CCOc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1OC(F)F ZINC000108428669 1293080588 /nfs/dbraw/zinc/08/05/88/1293080588.db2.gz NFNFBMXPTLZBEG-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP CCOc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1OC(F)F ZINC000108428669 1293080592 /nfs/dbraw/zinc/08/05/92/1293080592.db2.gz NFNFBMXPTLZBEG-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000118869622 1293244619 /nfs/dbraw/zinc/24/46/19/1293244619.db2.gz BZEDHEQRFWIEQK-FQEVSTJZSA-N 2 1 343.515 3.030 20 0 EGADMP CCOc1ccccc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000119752696 1293287028 /nfs/dbraw/zinc/28/70/28/1293287028.db2.gz MAVNMQLNDLVTNQ-UHFFFAOYSA-N 2 1 328.456 3.316 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000132206785 1293712381 /nfs/dbraw/zinc/71/23/81/1293712381.db2.gz DMBGDAZNSWRTTI-SFHVURJKSA-N 2 1 347.503 3.237 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc(F)cc3cccnc32)CC1 ZINC000150944399 1293899944 /nfs/dbraw/zinc/89/99/44/1293899944.db2.gz UCZMEFMXUOOIMR-UHFFFAOYSA-N 2 1 345.462 3.353 20 0 EGADMP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000153385122 1294011319 /nfs/dbraw/zinc/01/13/19/1294011319.db2.gz WVZUTCHMLCNCNP-LSDHHAIUSA-N 2 1 335.448 3.376 20 0 EGADMP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000153385122 1294011324 /nfs/dbraw/zinc/01/13/24/1294011324.db2.gz WVZUTCHMLCNCNP-LSDHHAIUSA-N 2 1 335.448 3.376 20 0 EGADMP Cc1oc2ccccc2c1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000155956916 1294120514 /nfs/dbraw/zinc/12/05/14/1294120514.db2.gz UDPAMZTWJXSBGV-INIZCTEOSA-N 2 1 328.456 3.332 20 0 EGADMP Cc1nn(C)cc1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000160098035 1294258015 /nfs/dbraw/zinc/25/80/15/1294258015.db2.gz YTSBKJHMDRKKBC-INIZCTEOSA-N 2 1 326.488 3.393 20 0 EGADMP CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166567717 1294362706 /nfs/dbraw/zinc/36/27/06/1294362706.db2.gz CSUDIXSQZZOJFJ-BRWVUGGUSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H]1C[NH+](CCCC[NH2+]Cc2c(O)ccc(Cl)c2F)C[C@@H](C)O1 ZINC000190893423 1295626061 /nfs/dbraw/zinc/62/60/61/1295626061.db2.gz BGEBTIKXOAUDHB-CHWSQXEVSA-N 2 1 344.858 3.164 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000870867538 1296121178 /nfs/dbraw/zinc/12/11/78/1296121178.db2.gz QLMPBCOGPMCOBW-MBOZVWFJSA-N 2 1 343.515 3.052 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000236809292 1296204827 /nfs/dbraw/zinc/20/48/27/1296204827.db2.gz FYELOVLKJMNMHO-HNNXBMFYSA-N 2 1 332.879 3.347 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000236809292 1296204837 /nfs/dbraw/zinc/20/48/37/1296204837.db2.gz FYELOVLKJMNMHO-HNNXBMFYSA-N 2 1 332.879 3.347 20 0 EGADMP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000248178411 1296407903 /nfs/dbraw/zinc/40/79/03/1296407903.db2.gz XCEFMDPNRFNOGW-QZTJIDSGSA-N 2 1 347.503 3.187 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000248178411 1296407910 /nfs/dbraw/zinc/40/79/10/1296407910.db2.gz XCEFMDPNRFNOGW-QZTJIDSGSA-N 2 1 347.503 3.187 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261538173 1296593973 /nfs/dbraw/zinc/59/39/73/1296593973.db2.gz NLFBLYFONNBMLP-JSXRDJHFSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261538173 1296593985 /nfs/dbraw/zinc/59/39/85/1296593985.db2.gz NLFBLYFONNBMLP-JSXRDJHFSA-N 2 1 327.516 3.161 20 0 EGADMP CC[NH2+]CC1CC[NH+](Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000261658652 1296596980 /nfs/dbraw/zinc/59/69/80/1296596980.db2.gz GDDVAPOJLFWYKR-UHFFFAOYSA-N 2 1 334.851 3.212 20 0 EGADMP C[C@H](CC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000263282753 1296673656 /nfs/dbraw/zinc/67/36/56/1296673656.db2.gz SLBMYXCBMZAJFA-GGPKGHCWSA-N 2 1 345.531 3.039 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)CCCC2 ZINC000872052057 1296702711 /nfs/dbraw/zinc/70/27/11/1296702711.db2.gz AUQPGEMSNLULOI-SFHVURJKSA-N 2 1 330.472 3.323 20 0 EGADMP C[N@@H+](CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC000301636506 1296790553 /nfs/dbraw/zinc/79/05/53/1296790553.db2.gz BMBQBUQISCMKDW-INIZCTEOSA-N 2 1 339.524 3.240 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000301962842 1296795458 /nfs/dbraw/zinc/79/54/58/1296795458.db2.gz PJCSGZDOROVGJZ-BRWVUGGUSA-N 2 1 339.524 3.144 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000872302107 1296905138 /nfs/dbraw/zinc/90/51/38/1296905138.db2.gz OTAYCQRFNFRSKZ-SXLOBPIMSA-N 2 1 349.563 3.397 20 0 EGADMP C[C@@H](C[C@@H](O)c1ccco1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000305742235 1297040212 /nfs/dbraw/zinc/04/02/12/1297040212.db2.gz NVWDOINUCVWRGY-FXAWDEMLSA-N 2 1 342.483 3.388 20 0 EGADMP C[C@]1(CNC2CC[NH+](C3CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310303932 1297093569 /nfs/dbraw/zinc/09/35/69/1297093569.db2.gz UZYCJJAZAOGZLV-OAQYLSRUSA-N 2 1 327.516 3.115 20 0 EGADMP Cc1ccc(Br)c(F)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000873101063 1297273307 /nfs/dbraw/zinc/27/33/07/1297273307.db2.gz NABOOWXVYGPAAJ-UHFFFAOYSA-N 2 1 327.241 3.248 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)[C@H](n2cncn2)C1 ZINC000340535624 1297314392 /nfs/dbraw/zinc/31/43/92/1297314392.db2.gz VNZRPNJLKAWSDY-BTHPGYMESA-N 2 1 345.535 3.395 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H](c2ccsc2)O1 ZINC000873208423 1297352967 /nfs/dbraw/zinc/35/29/67/1297352967.db2.gz VVZLVFJUHUHFJQ-MLGOLLRUSA-N 2 1 334.510 3.417 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H](c2ccsc2)O1 ZINC000873208423 1297352981 /nfs/dbraw/zinc/35/29/81/1297352981.db2.gz VVZLVFJUHUHFJQ-MLGOLLRUSA-N 2 1 334.510 3.417 20 0 EGADMP Fc1cccc(O[C@@H]2CC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)c1 ZINC000873207795 1297353728 /nfs/dbraw/zinc/35/37/28/1297353728.db2.gz CTSHKSBLLDJLEC-MRXNPFEDSA-N 2 1 332.444 3.186 20 0 EGADMP COCCC1([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[NH2+]CC1 ZINC000873225191 1297367693 /nfs/dbraw/zinc/36/76/93/1297367693.db2.gz TUYVDNPUFNMDPC-UHFFFAOYSA-N 2 1 334.357 3.093 20 0 EGADMP CC(C)n1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000398040656 1297711505 /nfs/dbraw/zinc/71/15/05/1297711505.db2.gz RTUIQSMXAPFDJH-FXAWDEMLSA-N 2 1 326.488 3.464 20 0 EGADMP CC(C)n1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000398040656 1297711515 /nfs/dbraw/zinc/71/15/15/1297711515.db2.gz RTUIQSMXAPFDJH-FXAWDEMLSA-N 2 1 326.488 3.464 20 0 EGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702621020 1298196005 /nfs/dbraw/zinc/19/60/05/1298196005.db2.gz BNIMTOBVQWVQQL-SLYNCCJLSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702621020 1298196009 /nfs/dbraw/zinc/19/60/09/1298196009.db2.gz BNIMTOBVQWVQQL-SLYNCCJLSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715394518 1298280119 /nfs/dbraw/zinc/28/01/19/1298280119.db2.gz OEWCVLYAHPVEEZ-SEVLPDGMSA-N 2 1 328.500 3.444 20 0 EGADMP O=C(NC1CCC([NH+]2CCCCC2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000749258619 1299180742 /nfs/dbraw/zinc/18/07/42/1299180742.db2.gz RLYYLHYZMPEEFV-AFMYVXGZSA-N 2 1 347.547 3.307 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C(=O)[C@@H]3CCCCC[C@@H]32)CC1 ZINC000749955603 1299312223 /nfs/dbraw/zinc/31/22/23/1299312223.db2.gz SMTLQJSVPMLFEH-MOPGFXCFSA-N 2 1 335.536 3.179 20 0 EGADMP C[C@@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000751069973 1299506087 /nfs/dbraw/zinc/50/60/87/1299506087.db2.gz LQJYEDWORDTUNE-UWVFGXKGSA-N 2 1 335.536 3.161 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000878198470 1299818532 /nfs/dbraw/zinc/81/85/32/1299818532.db2.gz XGGNGJVBXRIYTR-UHOSZYNNSA-N 2 1 329.488 3.128 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000878198470 1299818544 /nfs/dbraw/zinc/81/85/44/1299818544.db2.gz XGGNGJVBXRIYTR-UHOSZYNNSA-N 2 1 329.488 3.128 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000878198470 1299818553 /nfs/dbraw/zinc/81/85/53/1299818553.db2.gz XGGNGJVBXRIYTR-UHOSZYNNSA-N 2 1 329.488 3.128 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000878198470 1299818560 /nfs/dbraw/zinc/81/85/60/1299818560.db2.gz XGGNGJVBXRIYTR-UHOSZYNNSA-N 2 1 329.488 3.128 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCSC(C)(C)C)CC2)CC1 ZINC000878721556 1300162220 /nfs/dbraw/zinc/16/22/20/1300162220.db2.gz HMVAXLVIFCZACG-UHFFFAOYSA-N 2 1 341.609 3.400 20 0 EGADMP CC[C@@H]1C[N@H+](CCC[NH+](CC)CC)CC[C@H]1NC(=O)OC(C)(C)C ZINC000755067690 1300278175 /nfs/dbraw/zinc/27/81/75/1300278175.db2.gz QOENKQIGIAHHMR-IAGOWNOFSA-N 2 1 341.540 3.344 20 0 EGADMP CC[C@@H]1C[N@@H+](CCC[NH+](CC)CC)CC[C@H]1NC(=O)OC(C)(C)C ZINC000755067690 1300278189 /nfs/dbraw/zinc/27/81/89/1300278189.db2.gz QOENKQIGIAHHMR-IAGOWNOFSA-N 2 1 341.540 3.344 20 0 EGADMP CC(C)=C(C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000755206771 1300298675 /nfs/dbraw/zinc/29/86/75/1300298675.db2.gz MTBIMSGDQNMNMA-MOPGFXCFSA-N 2 1 335.536 3.138 20 0 EGADMP C[NH+](CCCCCC[N@H+](C)[C@@H]1CCCC[C@H]1O)[C@@H]1CCCC[C@H]1O ZINC000879142507 1300397603 /nfs/dbraw/zinc/39/76/03/1300397603.db2.gz USMMUUFSGZNBKN-UAFMIMERSA-N 2 1 340.552 3.017 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759848017 1301175780 /nfs/dbraw/zinc/17/57/80/1301175780.db2.gz JEXUDAIIFVUARA-MRXNPFEDSA-N 2 1 325.815 3.040 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759848017 1301175783 /nfs/dbraw/zinc/17/57/83/1301175783.db2.gz JEXUDAIIFVUARA-MRXNPFEDSA-N 2 1 325.815 3.040 20 0 EGADMP COc1cc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC000762652191 1301722750 /nfs/dbraw/zinc/72/27/50/1301722750.db2.gz WQRXZSXTYLIYFQ-QZTJIDSGSA-N 2 1 334.504 3.464 20 0 EGADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765973092 1302359050 /nfs/dbraw/zinc/35/90/50/1302359050.db2.gz CCKZZIHUCYDTRE-AZUAARDMSA-N 2 1 344.499 3.442 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1OC ZINC000765974988 1302361767 /nfs/dbraw/zinc/36/17/67/1302361767.db2.gz JWUIIWPOLKNONG-PKOBYXMFSA-N 2 1 332.488 3.379 20 0 EGADMP C[C@H]1CCC[N@@H+]1CCNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000766268314 1302419426 /nfs/dbraw/zinc/41/94/26/1302419426.db2.gz JSPIJJSTIAOOOR-INIZCTEOSA-N 2 1 335.923 3.378 20 0 EGADMP C[C@H]1CCC[N@H+]1CCNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000766268314 1302419429 /nfs/dbraw/zinc/41/94/29/1302419429.db2.gz JSPIJJSTIAOOOR-INIZCTEOSA-N 2 1 335.923 3.378 20 0 EGADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000767500397 1302694951 /nfs/dbraw/zinc/69/49/51/1302694951.db2.gz HVXOEFJFSGIHSH-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000767500397 1302694953 /nfs/dbraw/zinc/69/49/53/1302694953.db2.gz HVXOEFJFSGIHSH-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000767500397 1302694958 /nfs/dbraw/zinc/69/49/58/1302694958.db2.gz HVXOEFJFSGIHSH-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000884213183 1302773091 /nfs/dbraw/zinc/77/30/91/1302773091.db2.gz VIIXSVGYCODUOP-QAPCUYQASA-N 2 1 347.503 3.028 20 0 EGADMP CCCCCCOc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000770394239 1303261324 /nfs/dbraw/zinc/26/13/24/1303261324.db2.gz GIYNDBYYZSYKRJ-ROUUACIJSA-N 2 1 332.488 3.306 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000886060127 1303341643 /nfs/dbraw/zinc/34/16/43/1303341643.db2.gz VBFWNNSMNMYVTI-LWQICCLCSA-N 2 1 340.442 3.195 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCc4cccnc43)CC2)oc1C ZINC000886526799 1303487290 /nfs/dbraw/zinc/48/72/90/1303487290.db2.gz SMYCVGSGNISCNQ-GOSISDBHSA-N 2 1 340.471 3.176 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@H]3CCCN(CC(C)(C)C)C3=O)CC2)[nH+]c1C ZINC000886663411 1303543926 /nfs/dbraw/zinc/54/39/26/1303543926.db2.gz ZYBBYNFCJRUIER-KRWDZBQOSA-N 2 1 346.519 3.243 20 0 EGADMP Cc1[nH]c(C2CC[NH+](CCC(=O)Nc3ccccc3)CC2)[nH+]c1C ZINC000886665706 1303544983 /nfs/dbraw/zinc/54/49/83/1303544983.db2.gz DWIRNPAWJVOVQP-UHFFFAOYSA-N 2 1 326.444 3.235 20 0 EGADMP CCC1([NH+]2CCC2)CC[NH+](CCC(=O)Nc2cccc(F)c2C)CC1 ZINC000886714066 1303575146 /nfs/dbraw/zinc/57/51/46/1303575146.db2.gz AKVKUUOSVYEUTF-UHFFFAOYSA-N 2 1 347.478 3.413 20 0 EGADMP Cc1ncc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)s1 ZINC000773081841 1303620380 /nfs/dbraw/zinc/62/03/80/1303620380.db2.gz OXIOEGVUPUUILK-UHFFFAOYSA-N 2 1 347.503 3.430 20 0 EGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)c1cc2ccccc2o1 ZINC000887134139 1303686133 /nfs/dbraw/zinc/68/61/33/1303686133.db2.gz CSBXEVIRSHPNQB-CRAIPNDOSA-N 2 1 337.423 3.072 20 0 EGADMP Brc1c[nH+]ccc1NC1CCC([NH+]2CCCCC2)CC1 ZINC000775496626 1303973984 /nfs/dbraw/zinc/97/39/84/1303973984.db2.gz LBLSFWIHDFHGRC-UHFFFAOYSA-N 2 1 338.293 3.475 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc3ccccc3[nH]2)CC1 ZINC000775622865 1303997209 /nfs/dbraw/zinc/99/72/09/1303997209.db2.gz JQYPQQMEIIRLDT-KRWDZBQOSA-N 2 1 328.504 3.236 20 0 EGADMP Cc1cnc2cc(C(=O)N3C[C@@H]4CCC[N@H+]4Cc4ccccc43)ccn12 ZINC000888283028 1304098566 /nfs/dbraw/zinc/09/85/66/1304098566.db2.gz HDMIOPNEIOTZJM-SFHVURJKSA-N 2 1 346.434 3.268 20 0 EGADMP O=C(Nc1ccnc(N2CCCCC2)c1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000888576473 1304202500 /nfs/dbraw/zinc/20/25/00/1304202500.db2.gz YWXCDRPXJRULOC-KRWDZBQOSA-N 2 1 328.460 3.027 20 0 EGADMP O=C(Nc1ccnc(N2CCCCC2)c1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000888576473 1304202505 /nfs/dbraw/zinc/20/25/05/1304202505.db2.gz YWXCDRPXJRULOC-KRWDZBQOSA-N 2 1 328.460 3.027 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000892333419 1305321269 /nfs/dbraw/zinc/32/12/69/1305321269.db2.gz CZKZKWBLVKMYFT-SYXAYUIZSA-N 2 1 343.515 3.333 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H](C)O1 ZINC000892333419 1305321273 /nfs/dbraw/zinc/32/12/73/1305321273.db2.gz CZKZKWBLVKMYFT-SYXAYUIZSA-N 2 1 343.515 3.333 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H](C)O1 ZINC000892333419 1305321278 /nfs/dbraw/zinc/32/12/78/1305321278.db2.gz CZKZKWBLVKMYFT-SYXAYUIZSA-N 2 1 343.515 3.333 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000892333419 1305321282 /nfs/dbraw/zinc/32/12/82/1305321282.db2.gz CZKZKWBLVKMYFT-SYXAYUIZSA-N 2 1 343.515 3.333 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000892333419 1305321286 /nfs/dbraw/zinc/32/12/86/1305321286.db2.gz CZKZKWBLVKMYFT-SYXAYUIZSA-N 2 1 343.515 3.333 20 0 EGADMP C[NH+](C)CC1CC[NH+](c2ccc(NCC3CC[NH+](C)CC3)cc2)CC1 ZINC000892381418 1305345532 /nfs/dbraw/zinc/34/55/32/1305345532.db2.gz UIYKSLWSGWCVSR-UHFFFAOYSA-N 3 1 344.547 3.218 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC000892614757 1305471586 /nfs/dbraw/zinc/47/15/86/1305471586.db2.gz SZZOCKPLVJWUQU-SFHVURJKSA-N 2 1 347.503 3.143 20 0 EGADMP C[C@@H]([NH2+]Cc1cnn(C)c1C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000893413558 1305881468 /nfs/dbraw/zinc/88/14/68/1305881468.db2.gz WKALUMMRVMKMAG-VQIMIIECSA-N 2 1 338.499 3.298 20 0 EGADMP CCCSC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000893487860 1305920612 /nfs/dbraw/zinc/92/06/12/1305920612.db2.gz QCOPRRDMKAVNCF-QFBILLFUSA-N 2 1 336.545 3.265 20 0 EGADMP Cn1ncc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000894226323 1306288537 /nfs/dbraw/zinc/28/85/37/1306288537.db2.gz IVXLIRRSRWMITQ-OAQYLSRUSA-N 2 1 338.499 3.299 20 0 EGADMP Cn1ncc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000894226323 1306288543 /nfs/dbraw/zinc/28/85/43/1306288543.db2.gz IVXLIRRSRWMITQ-OAQYLSRUSA-N 2 1 338.499 3.299 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)OCCC[NH+](C)C ZINC000791874915 1309082115 /nfs/dbraw/zinc/08/21/15/1309082115.db2.gz HLRGBXZQQHGZLO-QGZVFWFLSA-N 2 1 348.487 3.048 20 0 EGADMP C[NH+](C)CCCOC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000792119686 1309124315 /nfs/dbraw/zinc/12/43/15/1309124315.db2.gz KMGMNBHKGFWNGK-UHFFFAOYSA-N 2 1 340.467 3.427 20 0 EGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)n(C)n1 ZINC000793524707 1309393672 /nfs/dbraw/zinc/39/36/72/1309393672.db2.gz HKWYWRLPHZUVGM-JKSUJKDBSA-N 2 1 332.517 3.353 20 0 EGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)n(C)n1 ZINC000793524707 1309393680 /nfs/dbraw/zinc/39/36/80/1309393680.db2.gz HKWYWRLPHZUVGM-JKSUJKDBSA-N 2 1 332.517 3.353 20 0 EGADMP CCc1onc(C)c1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000895693514 1309469978 /nfs/dbraw/zinc/46/99/78/1309469978.db2.gz FLWOQHQUWUSSCW-QAPCUYQASA-N 2 1 327.472 3.403 20 0 EGADMP CCc1onc(C)c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000895693514 1309469980 /nfs/dbraw/zinc/46/99/80/1309469980.db2.gz FLWOQHQUWUSSCW-QAPCUYQASA-N 2 1 327.472 3.403 20 0 EGADMP Fc1ccc(/C=C\C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1F ZINC000796305716 1309960621 /nfs/dbraw/zinc/96/06/21/1309960621.db2.gz RPGHOZPMHFMAMX-YKUAXSNGSA-N 2 1 336.426 3.211 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]C2CCC(O)(c3ccccc3)CC2)s1 ZINC000796357440 1309976647 /nfs/dbraw/zinc/97/66/47/1309976647.db2.gz RQOSTJBEFDFPOY-UHFFFAOYSA-N 2 1 345.512 3.125 20 0 EGADMP CCCCOC(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000796443615 1310000295 /nfs/dbraw/zinc/00/02/95/1310000295.db2.gz KDXQWSXCBDXVKY-OAQYLSRUSA-N 2 1 344.499 3.318 20 0 EGADMP CCCCOC(=O)CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000796443615 1310000305 /nfs/dbraw/zinc/00/03/05/1310000305.db2.gz KDXQWSXCBDXVKY-OAQYLSRUSA-N 2 1 344.499 3.318 20 0 EGADMP CCCCOC(=O)CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000796443615 1310000311 /nfs/dbraw/zinc/00/03/11/1310000311.db2.gz KDXQWSXCBDXVKY-OAQYLSRUSA-N 2 1 344.499 3.318 20 0 EGADMP CCCCOC(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000796443615 1310000323 /nfs/dbraw/zinc/00/03/23/1310000323.db2.gz KDXQWSXCBDXVKY-OAQYLSRUSA-N 2 1 344.499 3.318 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C(F)(F)C(=O)OCC)C1 ZINC000797113973 1310142649 /nfs/dbraw/zinc/14/26/49/1310142649.db2.gz MZACSNQDODJSOA-XHSDSOJGSA-N 2 1 346.462 3.208 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C(F)(F)C(=O)OCC)C1 ZINC000797113973 1310142655 /nfs/dbraw/zinc/14/26/55/1310142655.db2.gz MZACSNQDODJSOA-XHSDSOJGSA-N 2 1 346.462 3.208 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCOC23CCOCC3)cc1 ZINC000898114162 1310596902 /nfs/dbraw/zinc/59/69/02/1310596902.db2.gz ADBDZWJAFWFLJB-HNAYVOBHSA-N 2 1 341.455 3.169 20 0 EGADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc2c(c1)CCCO2 ZINC000799726895 1310606248 /nfs/dbraw/zinc/60/62/48/1310606248.db2.gz SNJPFOJADPOYPA-LJQANCHMSA-N 2 1 345.531 3.078 20 0 EGADMP Cc1nc2ccccn2c1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000898276299 1310657841 /nfs/dbraw/zinc/65/78/41/1310657841.db2.gz MSVFCQGRRVNHIL-UHFFFAOYSA-N 2 1 348.494 3.439 20 0 EGADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)NCc3ccc4c[nH+]cn4c3)c2)C1 ZINC000857288888 1328526335 /nfs/dbraw/zinc/52/63/35/1328526335.db2.gz ULANIDCGLXTHNB-IBGZPJMESA-N 2 1 348.450 3.074 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H]([NH2+]CC2CCCC2)C1 ZINC001019068654 1317031447 /nfs/dbraw/zinc/03/14/47/1317031447.db2.gz FJEBYESJVOLALA-KRWDZBQOSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCCCC3)C2)CC[N@H+]1C ZINC001019290135 1317147027 /nfs/dbraw/zinc/14/70/27/1317147027.db2.gz SAEQLPZIZSOKKQ-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCN(c2cc[nH+]c3cc(OC(F)(F)F)ccc32)CC1 ZINC000899875726 1317192053 /nfs/dbraw/zinc/19/20/53/1317192053.db2.gz IBWYPEDFVJDASL-UHFFFAOYSA-N 2 1 325.334 3.275 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCCC2CCC2)CC1 ZINC000957283769 1317259930 /nfs/dbraw/zinc/25/99/30/1317259930.db2.gz DORVHOBTZHDJJU-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCCC2CCC2)CC1 ZINC000957283769 1317259936 /nfs/dbraw/zinc/25/99/36/1317259936.db2.gz DORVHOBTZHDJJU-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900413750 1317285142 /nfs/dbraw/zinc/28/51/42/1317285142.db2.gz ZSHKDRRGEUIBOE-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)c1ccccc1C[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000957411466 1317341584 /nfs/dbraw/zinc/34/15/84/1317341584.db2.gz FEEKEPKISZEGOS-FQEVSTJZSA-N 2 1 345.531 3.040 20 0 EGADMP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)CC1 ZINC000901188635 1317390677 /nfs/dbraw/zinc/39/06/77/1317390677.db2.gz VMQXBTWKIIPZOA-NTFDOXNWSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1)c1ccccc1 ZINC001019825995 1317441461 /nfs/dbraw/zinc/44/14/61/1317441461.db2.gz YLVKAWLRAZTVSM-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC2)CC1 ZINC000957621118 1317501763 /nfs/dbraw/zinc/50/17/63/1317501763.db2.gz YZWNDCDDJPNSDO-RTBURBONSA-N 2 1 347.547 3.116 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001020144187 1317558912 /nfs/dbraw/zinc/55/89/12/1317558912.db2.gz TYVLJORJSXKZGK-JPLJXNOCSA-N 2 1 343.515 3.166 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH+](CC)CC3CCC3)CC2)CC[N@H+]1C ZINC000957715785 1317585194 /nfs/dbraw/zinc/58/51/94/1317585194.db2.gz JUMJKOFYNDKIGG-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[N@H+](CC)CC3CCC3)CC2)CC[NH+]1C ZINC000957715785 1317585197 /nfs/dbraw/zinc/58/51/97/1317585197.db2.gz JUMJKOFYNDKIGG-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[N@@H+](CC)CC3CCC3)CC2)CC[NH+]1C ZINC000957715785 1317585202 /nfs/dbraw/zinc/58/52/02/1317585202.db2.gz JUMJKOFYNDKIGG-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020214045 1317596438 /nfs/dbraw/zinc/59/64/38/1317596438.db2.gz FTMNFUIMUMXHLJ-GUDVDZBRSA-N 2 1 335.536 3.068 20 0 EGADMP Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)cs1 ZINC001020239097 1317604214 /nfs/dbraw/zinc/60/42/14/1317604214.db2.gz NTUPHMXPZVMFHM-KZNAEPCWSA-N 2 1 349.544 3.056 20 0 EGADMP CC[N@@H+](CC1CC1)CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000957759926 1317626050 /nfs/dbraw/zinc/62/60/50/1317626050.db2.gz IFOPFKZIXNUORO-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001020289327 1317628421 /nfs/dbraw/zinc/62/84/21/1317628421.db2.gz XYVYBNYESACPTB-WTGUMLROSA-N 2 1 347.547 3.211 20 0 EGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903061776 1317645717 /nfs/dbraw/zinc/64/57/17/1317645717.db2.gz JHXLTARWRYZJSP-MRWCGDKNSA-N 2 1 327.472 3.453 20 0 EGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903061776 1317645724 /nfs/dbraw/zinc/64/57/24/1317645724.db2.gz JHXLTARWRYZJSP-MRWCGDKNSA-N 2 1 327.472 3.453 20 0 EGADMP c1ccc(CN2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903065947 1317647034 /nfs/dbraw/zinc/64/70/34/1317647034.db2.gz JEEDDCSCZCJRFJ-SWSHNKPGSA-N 2 1 339.527 3.398 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)cc1 ZINC000903065947 1317647039 /nfs/dbraw/zinc/64/70/39/1317647039.db2.gz JEEDDCSCZCJRFJ-SWSHNKPGSA-N 2 1 339.527 3.398 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)cc1 ZINC000903065947 1317647045 /nfs/dbraw/zinc/64/70/45/1317647045.db2.gz JEEDDCSCZCJRFJ-SWSHNKPGSA-N 2 1 339.527 3.398 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cc1 ZINC000903065947 1317647051 /nfs/dbraw/zinc/64/70/51/1317647051.db2.gz JEEDDCSCZCJRFJ-SWSHNKPGSA-N 2 1 339.527 3.398 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903065947 1317647058 /nfs/dbraw/zinc/64/70/58/1317647058.db2.gz JEEDDCSCZCJRFJ-SWSHNKPGSA-N 2 1 339.527 3.398 20 0 EGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@H]1C[C@@H](C)c3ccccc31)C2 ZINC000903118170 1317656993 /nfs/dbraw/zinc/65/69/93/1317656993.db2.gz WDYSOXIOCKIBOY-FTADXUQISA-N 2 1 328.500 3.304 20 0 EGADMP OC[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@H]1c1ccc(F)cc1 ZINC000903159712 1317665579 /nfs/dbraw/zinc/66/55/79/1317665579.db2.gz HNEJZLZHDOSDKJ-OOHWTWPMSA-N 2 1 344.474 3.039 20 0 EGADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903170717 1317667575 /nfs/dbraw/zinc/66/75/75/1317667575.db2.gz BAKKCZATXRVVIZ-FQEVSTJZSA-N 2 1 340.471 3.048 20 0 EGADMP COc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C2CC2)cn1 ZINC000903208900 1317675350 /nfs/dbraw/zinc/67/53/50/1317675350.db2.gz BQVDUPJHIFILMF-IVZBYUQCSA-N 2 1 327.472 3.289 20 0 EGADMP C[N@H+](Cc1ccccc1C(F)(F)F)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903723247 1317724789 /nfs/dbraw/zinc/72/47/89/1317724789.db2.gz GLIXYKXVJUIUKL-HNNXBMFYSA-N 2 1 342.405 3.296 20 0 EGADMP c1ccc(C[C@H]2CCCC[N@@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903727632 1317726035 /nfs/dbraw/zinc/72/60/35/1317726035.db2.gz WIRFHOCMAWMYSO-UXHICEINSA-N 2 1 328.500 3.242 20 0 EGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734496 1317727150 /nfs/dbraw/zinc/72/71/50/1317727150.db2.gz RPCYIOHVDGJXJB-CRAIPNDOSA-N 2 1 336.907 3.362 20 0 EGADMP FC(F)(F)[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)O1 ZINC000903750318 1317729325 /nfs/dbraw/zinc/72/93/25/1317729325.db2.gz XGDBBMMNXVUEBP-JJXSEGSLSA-N 2 1 334.426 3.198 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)c2ncccc12 ZINC000903751167 1317730063 /nfs/dbraw/zinc/73/00/63/1317730063.db2.gz CAAOQGZDJRNOMI-GOSISDBHSA-N 2 1 341.455 3.019 20 0 EGADMP FC(F)(F)[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)O1 ZINC000903769198 1317730775 /nfs/dbraw/zinc/73/07/75/1317730775.db2.gz ZMNJLAPXTGXFRK-XHSDSOJGSA-N 2 1 334.426 3.198 20 0 EGADMP CC[C@H](C[NH2+]C[C@H]([NH3+])CC(F)F)Oc1ccccc1C(F)(F)F ZINC000903919993 1317748852 /nfs/dbraw/zinc/74/88/52/1317748852.db2.gz GOBRPSFRYORVES-GHMZBOCLSA-N 2 1 340.336 3.435 20 0 EGADMP Cc1ccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c(-c2cnn(C)c2)c1 ZINC000903959169 1317756153 /nfs/dbraw/zinc/75/61/53/1317756153.db2.gz CHGXPGZTPGBOFI-OAQYLSRUSA-N 2 1 338.499 3.361 20 0 EGADMP c1ccc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903974320 1317759316 /nfs/dbraw/zinc/75/93/16/1317759316.db2.gz UDUXJDFWWBOCKN-XUVXKRRUSA-N 2 1 328.500 3.146 20 0 EGADMP c1csc(C[C@@H]2CCC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC000903987378 1317762930 /nfs/dbraw/zinc/76/29/30/1317762930.db2.gz DWVSLRCEGUBEKF-ZDUSSCGKSA-N 2 1 333.526 3.305 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1)c1ccccc1 ZINC001020591732 1317791927 /nfs/dbraw/zinc/79/19/27/1317791927.db2.gz UJKRHUQWPSRJJR-GUDVDZBRSA-N 2 1 343.515 3.106 20 0 EGADMP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@]1(C)CCC[NH2+]C1 ZINC000904312138 1317828607 /nfs/dbraw/zinc/82/86/07/1317828607.db2.gz MGJZJNCRRPWHSY-HXUWFJFHSA-N 2 1 344.478 3.470 20 0 EGADMP C[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1CC[NH+](C)CC1 ZINC000809566072 1317832807 /nfs/dbraw/zinc/83/28/07/1317832807.db2.gz FVKOATDXJRHLIJ-UHFFFAOYSA-N 2 1 341.540 3.296 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001020719698 1317885607 /nfs/dbraw/zinc/88/56/07/1317885607.db2.gz PEWJCOVMZPRDHW-UAFMIMERSA-N 2 1 345.531 3.131 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@@](C)(O)C(F)F)C1 ZINC000905044995 1317916771 /nfs/dbraw/zinc/91/67/71/1317916771.db2.gz HEPFWNRBYCDOQL-KBXCAEBGSA-N 2 1 326.431 3.024 20 0 EGADMP [NH3+]C1CC[NH+](CCNc2ccc3c(Cl)ccc(Cl)c3n2)CC1 ZINC000905704767 1317981664 /nfs/dbraw/zinc/98/16/64/1317981664.db2.gz FGYZGMLQACHJPI-UHFFFAOYSA-N 2 1 339.270 3.377 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3=O)cc2)CC1 ZINC000810262245 1317989228 /nfs/dbraw/zinc/98/92/28/1317989228.db2.gz NDKVYAMERTZYFN-INIZCTEOSA-N 2 1 329.488 3.338 20 0 EGADMP CC[C@@H](C)[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C(=O)OC ZINC000905758204 1317991537 /nfs/dbraw/zinc/99/15/37/1317991537.db2.gz WGCAJUBJSXVERZ-PBHICJAKSA-N 2 1 338.517 3.137 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001020908665 1317993369 /nfs/dbraw/zinc/99/33/69/1317993369.db2.gz HPGKLEYUVWKHOA-FHWLQOOXSA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001021094734 1318079327 /nfs/dbraw/zinc/07/93/27/1318079327.db2.gz ZWXXLVWYQHCWKG-FRYIKTPZSA-N 2 1 343.515 3.167 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001021254565 1318159940 /nfs/dbraw/zinc/15/99/40/1318159940.db2.gz PTSQCIOAPYFNHK-NXEWRWPSSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001021254565 1318159945 /nfs/dbraw/zinc/15/99/45/1318159945.db2.gz PTSQCIOAPYFNHK-NXEWRWPSSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001021254565 1318159950 /nfs/dbraw/zinc/15/99/50/1318159950.db2.gz PTSQCIOAPYFNHK-NXEWRWPSSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000811513477 1318191899 /nfs/dbraw/zinc/19/18/99/1318191899.db2.gz ZMAYTSFHQPTEQZ-ULQDDVLXSA-N 2 1 341.540 3.483 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000811513477 1318191905 /nfs/dbraw/zinc/19/19/05/1318191905.db2.gz ZMAYTSFHQPTEQZ-ULQDDVLXSA-N 2 1 341.540 3.483 20 0 EGADMP CC1CCC(C[NH2+]C[C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000960021262 1318316178 /nfs/dbraw/zinc/31/61/78/1318316178.db2.gz AMLMJLFUDOTYRM-QLOJAFMTSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]2C[NH+](CCC(C)(C)C)CC[C@@H]21)C1CCC1 ZINC001021604079 1318449792 /nfs/dbraw/zinc/44/97/92/1318449792.db2.gz AWUMLHCDIRNACI-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]21)C1CCC1 ZINC001021604079 1318449796 /nfs/dbraw/zinc/44/97/96/1318449796.db2.gz AWUMLHCDIRNACI-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]21)C1CCC1 ZINC001021604079 1318449804 /nfs/dbraw/zinc/44/98/04/1318449804.db2.gz AWUMLHCDIRNACI-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cnnn1-c1ccccc1 ZINC000813322335 1318532876 /nfs/dbraw/zinc/53/28/76/1318532876.db2.gz BBNDUTOFGXQBJC-AWEZNQCLSA-N 2 1 327.476 3.227 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001021906214 1318727456 /nfs/dbraw/zinc/72/74/56/1318727456.db2.gz JIPDDNVXYCAXOF-MHORFTMASA-N 2 1 349.906 3.122 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@@H]1CCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC000960741968 1318845094 /nfs/dbraw/zinc/84/50/94/1318845094.db2.gz VYCRXAZCQLMLLY-SFHVURJKSA-N 2 1 340.471 3.061 20 0 EGADMP Clc1ccccc1C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000815576409 1319019822 /nfs/dbraw/zinc/01/98/22/1319019822.db2.gz PSFHPXDORHSKLF-LMMKCTJWSA-N 2 1 334.891 3.114 20 0 EGADMP Clc1ccccc1C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000815576409 1319019833 /nfs/dbraw/zinc/01/98/33/1319019833.db2.gz PSFHPXDORHSKLF-LMMKCTJWSA-N 2 1 334.891 3.114 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001022711988 1319079263 /nfs/dbraw/zinc/07/92/63/1319079263.db2.gz HYPDYHUGZYTEGX-QRQLOZEOSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001022807252 1319119098 /nfs/dbraw/zinc/11/90/98/1319119098.db2.gz GGTMVVKUVBHWHB-OTWHNJEPSA-N 2 1 347.547 3.066 20 0 EGADMP C[N@@H+](C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1)CC1CCC(C)(C)CC1 ZINC000961031588 1319155932 /nfs/dbraw/zinc/15/59/32/1319155932.db2.gz ZQKPPQASLTYAID-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1)CC1CCC(C)(C)CC1 ZINC000961031588 1319155939 /nfs/dbraw/zinc/15/59/39/1319155939.db2.gz ZQKPPQASLTYAID-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)CC1CCC(C)(C)CC1 ZINC000961031588 1319155942 /nfs/dbraw/zinc/15/59/42/1319155942.db2.gz ZQKPPQASLTYAID-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)C[C@H]2CCCN2C(=O)C[NH+]2CCCC2)c1 ZINC000961034583 1319158996 /nfs/dbraw/zinc/15/89/96/1319158996.db2.gz NWXLCIRQWAEDKJ-AZUAARDMSA-N 2 1 343.515 3.075 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001022958261 1319186943 /nfs/dbraw/zinc/18/69/43/1319186943.db2.gz HPGKLEYUVWKHOA-OTWHNJEPSA-N 2 1 349.563 3.314 20 0 EGADMP C[N@@H+](CCc1ccccc1F)Cc1ccc(CN2CCOCC2)cc1 ZINC000817274095 1319308252 /nfs/dbraw/zinc/30/82/52/1319308252.db2.gz BHWKBHMZWVPYDZ-UHFFFAOYSA-N 2 1 342.458 3.332 20 0 EGADMP C[N@H+](CCc1ccccc1F)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000817274095 1319308262 /nfs/dbraw/zinc/30/82/62/1319308262.db2.gz BHWKBHMZWVPYDZ-UHFFFAOYSA-N 2 1 342.458 3.332 20 0 EGADMP C[N@@H+](CCc1ccccc1F)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000817274095 1319308269 /nfs/dbraw/zinc/30/82/69/1319308269.db2.gz BHWKBHMZWVPYDZ-UHFFFAOYSA-N 2 1 342.458 3.332 20 0 EGADMP CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224785 1319351123 /nfs/dbraw/zinc/35/11/23/1319351123.db2.gz FCFUIQHORBQAKN-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961288487 1319447649 /nfs/dbraw/zinc/44/76/49/1319447649.db2.gz WZOYARNXMHTKKZ-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CC)Cc1cc([C@H](C)NC[C@H]2CCC[NH2+]C2)ccc1OC ZINC000817945777 1319471451 /nfs/dbraw/zinc/47/14/51/1319471451.db2.gz LQQFNLWHKBQFIE-IRXDYDNUSA-N 2 1 333.520 3.187 20 0 EGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(Br)nc1 ZINC000817958453 1319476950 /nfs/dbraw/zinc/47/69/50/1319476950.db2.gz JTVODHHQFDRKJV-FZMZJTMJSA-N 2 1 326.282 3.402 20 0 EGADMP COc1ccc([C@@H](C)[NH2+][C@H](CN)C2CC2)cc1C[NH+]1CCCCC1 ZINC000817960665 1319478636 /nfs/dbraw/zinc/47/86/36/1319478636.db2.gz OZRUYOYRGLEMAM-DNVCBOLYSA-N 2 1 331.504 3.069 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817963049 1319479708 /nfs/dbraw/zinc/47/97/08/1319479708.db2.gz RETWOOVUDLWYFK-BZUAXINKSA-N 2 1 327.513 3.272 20 0 EGADMP FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000817981468 1319485055 /nfs/dbraw/zinc/48/50/55/1319485055.db2.gz KPJHPRRWQZESPP-CJNGLKHVSA-N 2 1 342.455 3.347 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001023377055 1319485603 /nfs/dbraw/zinc/48/56/03/1319485603.db2.gz DKCWVLSYYHAXRI-YZGWKJHDSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001023377055 1319485608 /nfs/dbraw/zinc/48/56/08/1319485608.db2.gz DKCWVLSYYHAXRI-YZGWKJHDSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001023377055 1319485612 /nfs/dbraw/zinc/48/56/12/1319485612.db2.gz DKCWVLSYYHAXRI-YZGWKJHDSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCCC3CCC3)C2)CC[N@H+]1C ZINC001023380500 1319487621 /nfs/dbraw/zinc/48/76/21/1319487621.db2.gz ADOYVHHQZMHQMK-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CCCC3CCC3)C2)CC[NH+]1C ZINC001023380500 1319487629 /nfs/dbraw/zinc/48/76/29/1319487629.db2.gz ADOYVHHQZMHQMK-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CCCC3CCC3)C2)CC[NH+]1C ZINC001023380500 1319487636 /nfs/dbraw/zinc/48/76/36/1319487636.db2.gz ADOYVHHQZMHQMK-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961378546 1319534752 /nfs/dbraw/zinc/53/47/52/1319534752.db2.gz OGEOBOQICZPEPZ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961378546 1319534757 /nfs/dbraw/zinc/53/47/57/1319534757.db2.gz OGEOBOQICZPEPZ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961378546 1319534763 /nfs/dbraw/zinc/53/47/63/1319534763.db2.gz OGEOBOQICZPEPZ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+](CC3CCC3)C2)CC1)[NH+](C)C ZINC000961377407 1319534787 /nfs/dbraw/zinc/53/47/87/1319534787.db2.gz HPQRYBGOPDNNMZ-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023451782 1319555102 /nfs/dbraw/zinc/55/51/02/1319555102.db2.gz MGPWZZBXHGILPJ-KRWDZBQOSA-N 2 1 340.471 3.051 20 0 EGADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1OC ZINC000818616026 1319570976 /nfs/dbraw/zinc/57/09/76/1319570976.db2.gz SQRVTUCBALSVEQ-ATZDWAIDSA-N 3 1 333.520 3.458 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000961436191 1319590814 /nfs/dbraw/zinc/59/08/14/1319590814.db2.gz SHKGKOGHOLLAME-HXUWFJFHSA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2F)c1 ZINC000818969539 1319596810 /nfs/dbraw/zinc/59/68/10/1319596810.db2.gz GEVKDRDFXSYZCG-LJQANCHMSA-N 2 1 334.410 3.240 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000818984890 1319605353 /nfs/dbraw/zinc/60/53/53/1319605353.db2.gz MJYJSSGKFURXDO-WMLDXEAASA-N 2 1 344.421 3.449 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+](CC3CCCCC3)C2)CC[N@H+]1C ZINC001023554228 1319664976 /nfs/dbraw/zinc/66/49/76/1319664976.db2.gz IIDXXGLJIXTBFT-IHPCNDPISA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CC3CCCCC3)C2)CC[NH+]1C ZINC001023554228 1319664985 /nfs/dbraw/zinc/66/49/85/1319664985.db2.gz IIDXXGLJIXTBFT-IHPCNDPISA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)CC[NH+]1C ZINC001023554228 1319664996 /nfs/dbraw/zinc/66/49/96/1319664996.db2.gz IIDXXGLJIXTBFT-IHPCNDPISA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCC2)C1 ZINC001023696349 1319820021 /nfs/dbraw/zinc/82/00/21/1319820021.db2.gz LCUXLMPNOVSVJF-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001023696349 1319820030 /nfs/dbraw/zinc/82/00/30/1319820030.db2.gz LCUXLMPNOVSVJF-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001023696349 1319820043 /nfs/dbraw/zinc/82/00/43/1319820043.db2.gz LCUXLMPNOVSVJF-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCC2)C1 ZINC001023696352 1319821846 /nfs/dbraw/zinc/82/18/46/1319821846.db2.gz LCUXLMPNOVSVJF-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001023696352 1319821855 /nfs/dbraw/zinc/82/18/55/1319821855.db2.gz LCUXLMPNOVSVJF-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001023696352 1319821864 /nfs/dbraw/zinc/82/18/64/1319821864.db2.gz LCUXLMPNOVSVJF-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001023749961 1319893980 /nfs/dbraw/zinc/89/39/80/1319893980.db2.gz DLRQTPDUDIFVCO-PMACEKPBSA-N 2 1 349.563 3.127 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001023749961 1319893989 /nfs/dbraw/zinc/89/39/89/1319893989.db2.gz DLRQTPDUDIFVCO-PMACEKPBSA-N 2 1 349.563 3.127 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001023749961 1319893997 /nfs/dbraw/zinc/89/39/97/1319893997.db2.gz DLRQTPDUDIFVCO-PMACEKPBSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[NH2+]C1CC[NH+](CC2(CNC(=O)OC(C)(C)C)CCC2)CC1 ZINC000820862973 1319970456 /nfs/dbraw/zinc/97/04/56/1319970456.db2.gz TUIYCGIQXPHGNR-UHFFFAOYSA-N 2 1 339.524 3.144 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CC2(Cl)Cl)[C@H](C)C1 ZINC000822870658 1320131152 /nfs/dbraw/zinc/13/11/52/1320131152.db2.gz VJPQBTIROUDARS-ILXRZTDVSA-N 2 1 337.335 3.297 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000823666830 1320196409 /nfs/dbraw/zinc/19/64/09/1320196409.db2.gz TZAZHLLULQESLP-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(F)cc(F)c1 ZINC000823850392 1320211353 /nfs/dbraw/zinc/21/13/53/1320211353.db2.gz BGKYYLACUMMPHP-KUHUBIRLSA-N 2 1 338.442 3.301 20 0 EGADMP Clc1cccc([C@@H]2CC[C@H]([NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)c1 ZINC000840723369 1321135038 /nfs/dbraw/zinc/13/50/38/1321135038.db2.gz WYYBXOBBVYBWFW-LULLPPNCSA-N 2 1 334.891 3.429 20 0 EGADMP Clc1cccc([C@@H]2CC[C@H]([NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)c1 ZINC000840723369 1321135042 /nfs/dbraw/zinc/13/50/42/1321135042.db2.gz WYYBXOBBVYBWFW-LULLPPNCSA-N 2 1 334.891 3.429 20 0 EGADMP CCOc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1OC(=O)CC ZINC000840953747 1321185356 /nfs/dbraw/zinc/18/53/56/1321185356.db2.gz YIZZAHOIWFHYFG-INIZCTEOSA-N 2 1 348.487 3.222 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000840963966 1321188213 /nfs/dbraw/zinc/18/82/13/1321188213.db2.gz PQDMIBVNFZQIJZ-GPQLOAJWSA-N 2 1 338.442 3.157 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000840963966 1321188215 /nfs/dbraw/zinc/18/82/15/1321188215.db2.gz PQDMIBVNFZQIJZ-GPQLOAJWSA-N 2 1 338.442 3.157 20 0 EGADMP CC(C)n1ncc2cc(C[NH2+]C[C@@]3(C)CCC[NH2+]C3)c(Cl)nc21 ZINC000841056068 1321211261 /nfs/dbraw/zinc/21/12/61/1321211261.db2.gz BLEWGKWQVJUSNZ-KRWDZBQOSA-N 2 1 335.883 3.145 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215408 1328949136 /nfs/dbraw/zinc/94/91/36/1328949136.db2.gz GFOHKAJGHYGVLN-UWVAXJGDSA-N 2 1 345.531 3.263 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215408 1328949140 /nfs/dbraw/zinc/94/91/40/1328949140.db2.gz GFOHKAJGHYGVLN-UWVAXJGDSA-N 2 1 345.531 3.263 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215405 1328949339 /nfs/dbraw/zinc/94/93/39/1328949339.db2.gz GFOHKAJGHYGVLN-FUHIMQAGSA-N 2 1 345.531 3.263 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215405 1328949342 /nfs/dbraw/zinc/94/93/42/1328949342.db2.gz GFOHKAJGHYGVLN-FUHIMQAGSA-N 2 1 345.531 3.263 20 0 EGADMP CC1CCC(N(C)C(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000859215501 1328949491 /nfs/dbraw/zinc/94/94/91/1328949491.db2.gz IKDXJTKAVKSFGZ-UHFFFAOYSA-N 2 1 345.531 3.217 20 0 EGADMP CC1CCC(N(C)C(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000859215501 1328949493 /nfs/dbraw/zinc/94/94/93/1328949493.db2.gz IKDXJTKAVKSFGZ-UHFFFAOYSA-N 2 1 345.531 3.217 20 0 EGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(OCC(F)(F)F)c1 ZINC000843053569 1321463259 /nfs/dbraw/zinc/46/32/59/1321463259.db2.gz CHKYJDRLKUWJRS-GOOCMWNKSA-N 2 1 328.378 3.472 20 0 EGADMP Cc1nn(C)c2nc(Cl)c(C[N@H+](CCC[NH3+])CC3CCCC3)cc12 ZINC000843122840 1321473335 /nfs/dbraw/zinc/47/33/35/1321473335.db2.gz FLDDKKHYGHKGGK-UHFFFAOYSA-N 2 1 349.910 3.271 20 0 EGADMP Cc1nn(C)c2nc(Cl)c(C[N@@H+](CCC[NH3+])CC3CCCC3)cc12 ZINC000843122840 1321473340 /nfs/dbraw/zinc/47/33/40/1321473340.db2.gz FLDDKKHYGHKGGK-UHFFFAOYSA-N 2 1 349.910 3.271 20 0 EGADMP COc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1SC(F)(F)F ZINC000843345887 1321502831 /nfs/dbraw/zinc/50/28/31/1321502831.db2.gz IOFWETDQWUTHHC-UHFFFAOYSA-N 2 1 334.407 3.491 20 0 EGADMP COc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1SC(F)(F)F ZINC000843345887 1321502834 /nfs/dbraw/zinc/50/28/34/1321502834.db2.gz IOFWETDQWUTHHC-UHFFFAOYSA-N 2 1 334.407 3.491 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](C)C3)c2cc1C(C)C ZINC000843353723 1321505302 /nfs/dbraw/zinc/50/53/02/1321505302.db2.gz NWMNRHVUNUQMMU-KSSFIOAISA-N 2 1 328.456 3.394 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)c2cc1C(C)C ZINC000843353723 1321505305 /nfs/dbraw/zinc/50/53/05/1321505305.db2.gz NWMNRHVUNUQMMU-KSSFIOAISA-N 2 1 328.456 3.394 20 0 EGADMP CCc1cc2oc(=O)cc(C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)c2cc1Cl ZINC000843362331 1321507405 /nfs/dbraw/zinc/50/74/05/1321507405.db2.gz DRJOIYYJNGVUNI-VXGBXAGGSA-N 2 1 334.847 3.178 20 0 EGADMP CCc1cc2oc(=O)cc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)c2cc1Cl ZINC000843362331 1321507409 /nfs/dbraw/zinc/50/74/09/1321507409.db2.gz DRJOIYYJNGVUNI-VXGBXAGGSA-N 2 1 334.847 3.178 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccnc3C(F)(F)F)C2)CC1 ZINC000859290671 1328962410 /nfs/dbraw/zinc/96/24/10/1328962410.db2.gz AWUTZEILIVUXFK-UHFFFAOYSA-N 2 1 327.394 3.408 20 0 EGADMP CC(=O)c1ccc(N2CC[NH+](CCCCCCC[NH3+])CC2)c(F)c1 ZINC000844221802 1321579960 /nfs/dbraw/zinc/57/99/60/1321579960.db2.gz LKQGYXKWCQETSA-UHFFFAOYSA-N 2 1 335.467 3.060 20 0 EGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000845942726 1321756462 /nfs/dbraw/zinc/75/64/62/1321756462.db2.gz RPQNAWPDJRECTP-RBUKOAKNSA-N 2 1 326.488 3.452 20 0 EGADMP C[C@]1(NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000846592447 1321794924 /nfs/dbraw/zinc/79/49/24/1321794924.db2.gz RIHULCIGQZVXAL-NRFANRHFSA-N 2 1 343.515 3.033 20 0 EGADMP Cn1c[nH+]cc1CCC[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000846803074 1321810781 /nfs/dbraw/zinc/81/07/81/1321810781.db2.gz MFKBEYNYGFRXMJ-LJQANCHMSA-N 2 1 347.890 3.452 20 0 EGADMP C[C@H]([NH2+]Cc1ccc2nonc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000846848960 1321816223 /nfs/dbraw/zinc/81/62/23/1321816223.db2.gz QHWFVKWOZJDJDY-YJBOKZPZSA-N 2 1 336.439 3.223 20 0 EGADMP CC(C)CCNC(=[NH2+])NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989807 1322056934 /nfs/dbraw/zinc/05/69/34/1322056934.db2.gz BZMJYPOCIXRCDN-HKUYNNGSSA-N 2 1 330.520 3.447 20 0 EGADMP Cc1ccc(CNC(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000849053512 1322059995 /nfs/dbraw/zinc/05/99/95/1322059995.db2.gz PYJFCQARYYKCLK-QGZVFWFLSA-N 2 1 326.444 3.039 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccc(Cl)cc2)CCC1 ZINC000849072423 1322066031 /nfs/dbraw/zinc/06/60/31/1322066031.db2.gz FTOAKZZKBJFUGJ-QGZVFWFLSA-N 2 1 348.922 3.360 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)cc1F ZINC000920425824 1322175821 /nfs/dbraw/zinc/17/58/21/1322175821.db2.gz QHUQPDRXLWQFLV-IBGZPJMESA-N 2 1 343.377 3.282 20 0 EGADMP Cc1ccc(N2CCC(C(=O)OCC[C@@H]3CCCC[N@H+]3C)CC2)[nH+]c1 ZINC000920612805 1322198373 /nfs/dbraw/zinc/19/83/73/1322198373.db2.gz BXLPVMRITCXNFD-SFHVURJKSA-N 2 1 345.487 3.024 20 0 EGADMP Cc1ccc(N2CCC(C(=O)OCC[C@@H]3CCCC[N@@H+]3C)CC2)[nH+]c1 ZINC000920612805 1322198378 /nfs/dbraw/zinc/19/83/78/1322198378.db2.gz BXLPVMRITCXNFD-SFHVURJKSA-N 2 1 345.487 3.024 20 0 EGADMP Cc1ccc(N2CCC(C(=O)OCC[C@H]3CCCC[N@H+]3C)CC2)[nH+]c1 ZINC000920612803 1322198503 /nfs/dbraw/zinc/19/85/03/1322198503.db2.gz BXLPVMRITCXNFD-GOSISDBHSA-N 2 1 345.487 3.024 20 0 EGADMP Cc1ccc(N2CCC(C(=O)OCC[C@H]3CCCC[N@@H+]3C)CC2)[nH+]c1 ZINC000920612803 1322198509 /nfs/dbraw/zinc/19/85/09/1322198509.db2.gz BXLPVMRITCXNFD-GOSISDBHSA-N 2 1 345.487 3.024 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC3SCCS3)CC2)cc1 ZINC000850401613 1322239246 /nfs/dbraw/zinc/23/92/46/1322239246.db2.gz ADQQCYSOOWNSED-UHFFFAOYSA-N 2 1 340.533 3.228 20 0 EGADMP CCOC(=O)NC1CCC([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000850423530 1322245751 /nfs/dbraw/zinc/24/57/51/1322245751.db2.gz BJGOPAHFXGEPNU-ABHNRTSZSA-N 2 1 339.524 3.144 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)[C@H](C)C1 ZINC000850522839 1322260977 /nfs/dbraw/zinc/26/09/77/1322260977.db2.gz NPKYRNHXBJAFBA-HZPDHXFCSA-N 2 1 339.524 3.144 20 0 EGADMP CS[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000921496533 1322329514 /nfs/dbraw/zinc/32/95/14/1322329514.db2.gz WDYXRYCNNZJWKP-MOPGFXCFSA-N 2 1 334.529 3.283 20 0 EGADMP CC[C@H](C[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000921525163 1322339748 /nfs/dbraw/zinc/33/97/48/1322339748.db2.gz OKEYLJPJPZPWKX-GVDBMIGSSA-N 2 1 339.524 3.144 20 0 EGADMP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000921767644 1322395372 /nfs/dbraw/zinc/39/53/72/1322395372.db2.gz UQCROIFABRVUKH-HAGHYFMRSA-N 2 1 348.556 3.133 20 0 EGADMP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000921767644 1322395373 /nfs/dbraw/zinc/39/53/73/1322395373.db2.gz UQCROIFABRVUKH-HAGHYFMRSA-N 2 1 348.556 3.133 20 0 EGADMP Cc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922389825 1322516042 /nfs/dbraw/zinc/51/60/42/1322516042.db2.gz XHWZRTKTLVSFKX-MKXGPGLRSA-N 2 1 336.907 3.218 20 0 EGADMP CCCc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922391759 1322516932 /nfs/dbraw/zinc/51/69/32/1322516932.db2.gz ZKZVJUGMBYPHDO-MKXGPGLRSA-N 2 1 336.545 3.270 20 0 EGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000923368107 1322741108 /nfs/dbraw/zinc/74/11/08/1322741108.db2.gz LGVCBWCCXCZQSI-AZUAARDMSA-N 2 1 342.483 3.056 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@H]1C[NH3+] ZINC000923493510 1322762007 /nfs/dbraw/zinc/76/20/07/1322762007.db2.gz HOYQKSXKBNWPKL-AEFFLSMTSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504352 1322764554 /nfs/dbraw/zinc/76/45/54/1322764554.db2.gz QSDZVJXQSVWDPB-VKJFTORMSA-N 2 1 325.456 3.084 20 0 EGADMP C[C@@]1(Cc2ccc(Cl)s2)CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000923525989 1322769575 /nfs/dbraw/zinc/76/95/75/1322769575.db2.gz MKOGSIIRFQHMDM-BBRMVZONSA-N 2 1 340.920 3.320 20 0 EGADMP COc1cccc([C@H](C[NH2+]C2CC[NH+](CCC(C)C)CC2)N(C)C)c1 ZINC000924533506 1323045449 /nfs/dbraw/zinc/04/54/49/1323045449.db2.gz RBMXXPNHRQMBLK-NRFANRHFSA-N 2 1 347.547 3.398 20 0 EGADMP C[C@H](C[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000924661749 1323100137 /nfs/dbraw/zinc/10/01/37/1323100137.db2.gz RBGIJBWRDAELQM-NJINODPHSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@H](C[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)[N@H+]1CCCC[C@@H]1C ZINC000924661749 1323100140 /nfs/dbraw/zinc/10/01/40/1323100140.db2.gz RBGIJBWRDAELQM-NJINODPHSA-N 2 1 339.524 3.142 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(-n3cnnc3)c2)C1 ZINC000924958705 1323228876 /nfs/dbraw/zinc/22/88/76/1323228876.db2.gz GJSNVVSDDAHGBY-DLBZAZTESA-N 2 1 327.476 3.038 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnnn2-c2ccccc2)C1 ZINC000924962049 1323228981 /nfs/dbraw/zinc/22/89/81/1323228981.db2.gz YKLYBTNNELXTFR-IAGOWNOFSA-N 2 1 327.476 3.038 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnnn2-c2ccccc2)C1 ZINC000924962049 1323228984 /nfs/dbraw/zinc/22/89/84/1323228984.db2.gz YKLYBTNNELXTFR-IAGOWNOFSA-N 2 1 327.476 3.038 20 0 EGADMP FC(F)(F)c1cccc([C@H]2CC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)c1 ZINC000852750021 1323237038 /nfs/dbraw/zinc/23/70/38/1323237038.db2.gz LLRPERUKVGLJLT-HOCLYGCPSA-N 2 1 340.389 3.016 20 0 EGADMP COC1CC[NH+](C2(C[NH2+][C@H](C)Cc3ccccn3)CCCC2)CC1 ZINC000925000780 1323241024 /nfs/dbraw/zinc/24/10/24/1323241024.db2.gz LJIQHBCKNRQYBV-QGZVFWFLSA-N 2 1 331.504 3.026 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)c3ccccn3)cc2)C1 ZINC000853061744 1323272040 /nfs/dbraw/zinc/27/20/40/1323272040.db2.gz FTMJSZVNJLIQOQ-UWJYYQICSA-N 2 1 339.483 3.137 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001024436502 1323395403 /nfs/dbraw/zinc/39/54/03/1323395403.db2.gz FFIWNOVQFXZHHW-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001024436502 1323395409 /nfs/dbraw/zinc/39/54/09/1323395409.db2.gz FFIWNOVQFXZHHW-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001024436502 1323395412 /nfs/dbraw/zinc/39/54/12/1323395412.db2.gz FFIWNOVQFXZHHW-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479999 1323433539 /nfs/dbraw/zinc/43/35/39/1323433539.db2.gz WHBNYSMUFJWQPS-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479999 1323433542 /nfs/dbraw/zinc/43/35/42/1323433542.db2.gz WHBNYSMUFJWQPS-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479999 1323433545 /nfs/dbraw/zinc/43/35/45/1323433545.db2.gz WHBNYSMUFJWQPS-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024521075 1323469817 /nfs/dbraw/zinc/46/98/17/1323469817.db2.gz OKDPKEWNQDRGHG-RDJZCZTQSA-N 2 1 342.487 3.273 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024524451 1323471744 /nfs/dbraw/zinc/47/17/44/1323471744.db2.gz VUYXORBYFZLWML-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001024524451 1323471750 /nfs/dbraw/zinc/47/17/50/1323471750.db2.gz VUYXORBYFZLWML-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001024524451 1323471757 /nfs/dbraw/zinc/47/17/57/1323471757.db2.gz VUYXORBYFZLWML-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750386 1323653506 /nfs/dbraw/zinc/65/35/06/1323653506.db2.gz QDMWYAJQUHZQTO-FQEVSTJZSA-N 2 1 347.547 3.045 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024812702 1323716808 /nfs/dbraw/zinc/71/68/08/1323716808.db2.gz RJPIATGBRWLYDB-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001024812702 1323716810 /nfs/dbraw/zinc/71/68/10/1323716810.db2.gz RJPIATGBRWLYDB-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC(C)(C)C1 ZINC001024812702 1323716818 /nfs/dbraw/zinc/71/68/18/1323716818.db2.gz RJPIATGBRWLYDB-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001025008776 1323823977 /nfs/dbraw/zinc/82/39/77/1323823977.db2.gz BGSWRELWGUDADV-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(Cc3coc(-c4cccc(Cl)c4)n3)C[C@@H]2C1 ZINC000931432172 1329115816 /nfs/dbraw/zinc/11/58/16/1329115816.db2.gz XIRODRWQMOSPTI-CABCVRRESA-N 2 1 331.847 3.379 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3coc(-c4cccc(Cl)c4)n3)C[C@@H]2C1 ZINC000931432172 1329115817 /nfs/dbraw/zinc/11/58/17/1329115817.db2.gz XIRODRWQMOSPTI-CABCVRRESA-N 2 1 331.847 3.379 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3coc(-c4cccc(Cl)c4)n3)C[C@@H]2C1 ZINC000931432172 1329115822 /nfs/dbraw/zinc/11/58/22/1329115822.db2.gz XIRODRWQMOSPTI-CABCVRRESA-N 2 1 331.847 3.379 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3coc(-c4cccc(Cl)c4)n3)C[C@@H]2C1 ZINC000931432172 1329115824 /nfs/dbraw/zinc/11/58/24/1329115824.db2.gz XIRODRWQMOSPTI-CABCVRRESA-N 2 1 331.847 3.379 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3coc(-c4cccc(Cl)c4)n3)C[C@@H]2C1 ZINC000931432172 1329115829 /nfs/dbraw/zinc/11/58/29/1329115829.db2.gz XIRODRWQMOSPTI-CABCVRRESA-N 2 1 331.847 3.379 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025241576 1324036754 /nfs/dbraw/zinc/03/67/54/1324036754.db2.gz YRDJQYLHNFEPPL-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241576 1324036759 /nfs/dbraw/zinc/03/67/59/1324036759.db2.gz YRDJQYLHNFEPPL-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241576 1324036765 /nfs/dbraw/zinc/03/67/65/1324036765.db2.gz YRDJQYLHNFEPPL-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)(C(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+]1CC1CC1)[NH+]1CCCC1 ZINC001025257513 1324064994 /nfs/dbraw/zinc/06/49/94/1324064994.db2.gz DXUHQNFMFQOTPN-MOPGFXCFSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025258656 1324067631 /nfs/dbraw/zinc/06/76/31/1324067631.db2.gz LGBYJXOBQUYIGC-MOPGFXCFSA-N 2 1 349.563 3.362 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+]1CCC(C)C ZINC001025297606 1324130745 /nfs/dbraw/zinc/13/07/45/1324130745.db2.gz YYRCEPSLXHXOAU-RTBURBONSA-N 2 1 346.519 3.083 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCC(C)C ZINC001025297606 1324130748 /nfs/dbraw/zinc/13/07/48/1324130748.db2.gz YYRCEPSLXHXOAU-RTBURBONSA-N 2 1 346.519 3.083 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025431603 1324269437 /nfs/dbraw/zinc/26/94/37/1324269437.db2.gz BKXUOMHSVUWKOZ-GJZGRUSLSA-N 2 1 337.533 3.048 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025453700 1324294548 /nfs/dbraw/zinc/29/45/48/1324294548.db2.gz SUKBDFUHXFAYQP-RTBURBONSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025629660 1324481462 /nfs/dbraw/zinc/48/14/62/1324481462.db2.gz IOCSIYCLWJRCGL-ROUUACIJSA-N 2 1 345.531 3.235 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025630795 1324482962 /nfs/dbraw/zinc/48/29/62/1324482962.db2.gz WMXBVJQXADHLEV-MSOLQXFVSA-N 2 1 345.531 3.379 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NC2CCC([NH2+]CCC3CCCCC3)CC2)C1 ZINC001026592468 1324918094 /nfs/dbraw/zinc/91/80/94/1324918094.db2.gz BTTXVZJTSFKNAH-XEVCZEQESA-N 2 1 349.563 3.316 20 0 EGADMP Cc1noc(C)c1[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000925224937 1325086862 /nfs/dbraw/zinc/08/68/62/1325086862.db2.gz PAMKFBWNBKTMSL-LBPRGKRZSA-N 2 1 329.448 3.018 20 0 EGADMP Cc1nc(-c2ccc(CC[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)s2)cs1 ZINC000925522589 1325190138 /nfs/dbraw/zinc/19/01/38/1325190138.db2.gz HEWZOSJFDSAKPR-GVSKICRLSA-N 2 1 345.537 3.309 20 0 EGADMP CC1(C)[C@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C[C@@H]1c1ccccc1 ZINC000925794687 1325303939 /nfs/dbraw/zinc/30/39/39/1325303939.db2.gz VTSCOVLNEXQCAN-IPMKNSEASA-N 2 1 328.500 3.317 20 0 EGADMP C[N@@H+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027333144 1325491993 /nfs/dbraw/zinc/49/19/93/1325491993.db2.gz VHTKOBBOGWQLDR-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001027333144 1325491997 /nfs/dbraw/zinc/49/19/97/1325491997.db2.gz VHTKOBBOGWQLDR-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001027333144 1325492002 /nfs/dbraw/zinc/49/20/02/1325492002.db2.gz VHTKOBBOGWQLDR-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027333143 1325492226 /nfs/dbraw/zinc/49/22/26/1325492226.db2.gz VHTKOBBOGWQLDR-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001027333143 1325492228 /nfs/dbraw/zinc/49/22/28/1325492228.db2.gz VHTKOBBOGWQLDR-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001027333143 1325492233 /nfs/dbraw/zinc/49/22/33/1325492233.db2.gz VHTKOBBOGWQLDR-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP C[S@](=O)C1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000926358293 1325526201 /nfs/dbraw/zinc/52/62/01/1325526201.db2.gz PIUONIMYCSDEDY-HLFJNKLJSA-N 2 1 346.540 3.073 20 0 EGADMP C[S@](=O)C1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000926358293 1325526208 /nfs/dbraw/zinc/52/62/08/1325526208.db2.gz PIUONIMYCSDEDY-HLFJNKLJSA-N 2 1 346.540 3.073 20 0 EGADMP C[NH+](C)C1(CNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CCCC1 ZINC000856960130 1325545855 /nfs/dbraw/zinc/54/58/55/1325545855.db2.gz LMNJZNQAPDSCKG-LJQANCHMSA-N 2 1 343.515 3.100 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857120954 1325575284 /nfs/dbraw/zinc/57/52/84/1325575284.db2.gz QIIRYTAIXWTQLZ-VQTJNVASSA-N 2 1 343.515 3.100 20 0 EGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857120954 1325575294 /nfs/dbraw/zinc/57/52/94/1325575294.db2.gz QIIRYTAIXWTQLZ-VQTJNVASSA-N 2 1 343.515 3.100 20 0 EGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857120954 1325575298 /nfs/dbraw/zinc/57/52/98/1325575298.db2.gz QIIRYTAIXWTQLZ-VQTJNVASSA-N 2 1 343.515 3.100 20 0 EGADMP C[NH+](C)C[C@H]1CCCCN1C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857141961 1325580155 /nfs/dbraw/zinc/58/01/55/1325580155.db2.gz OQHNQFDTMMLCJV-VQTJNVASSA-N 2 1 343.515 3.052 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCCC2)C1 ZINC001027432683 1327670717 /nfs/dbraw/zinc/67/07/17/1327670717.db2.gz HZTBIDYLPMRWNM-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027432683 1327670725 /nfs/dbraw/zinc/67/07/25/1327670725.db2.gz HZTBIDYLPMRWNM-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027432683 1327670733 /nfs/dbraw/zinc/67/07/33/1327670733.db2.gz HZTBIDYLPMRWNM-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027449050 1327690785 /nfs/dbraw/zinc/69/07/85/1327690785.db2.gz PXOVKTGPBKQGOI-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001027449050 1327690794 /nfs/dbraw/zinc/69/07/94/1327690794.db2.gz PXOVKTGPBKQGOI-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001027449050 1327690805 /nfs/dbraw/zinc/69/08/05/1327690805.db2.gz PXOVKTGPBKQGOI-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](Cc1ccsc1)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027447931 1327691370 /nfs/dbraw/zinc/69/13/70/1327691370.db2.gz BUODASWRYXMFHI-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001027447931 1327691376 /nfs/dbraw/zinc/69/13/76/1327691376.db2.gz BUODASWRYXMFHI-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001027447931 1327691391 /nfs/dbraw/zinc/69/13/91/1327691391.db2.gz BUODASWRYXMFHI-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC001027470257 1327724509 /nfs/dbraw/zinc/72/45/09/1327724509.db2.gz OGBNUYLBUPKOJI-LJQANCHMSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](CCC1CC1)[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001027470257 1327724513 /nfs/dbraw/zinc/72/45/13/1327724513.db2.gz OGBNUYLBUPKOJI-LJQANCHMSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](CCC1CC1)[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001027470257 1327724522 /nfs/dbraw/zinc/72/45/22/1327724522.db2.gz OGBNUYLBUPKOJI-LJQANCHMSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027605104 1327961932 /nfs/dbraw/zinc/96/19/32/1327961932.db2.gz VSFYMICROCWBGP-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CC3CCCC3)C2)CC1 ZINC001027636718 1328003317 /nfs/dbraw/zinc/00/33/17/1328003317.db2.gz GDDDMZXAACEESF-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2CCCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000966074535 1328170320 /nfs/dbraw/zinc/17/03/20/1328170320.db2.gz IJBZVOHWTALXGH-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cs1 ZINC001027879488 1328345408 /nfs/dbraw/zinc/34/54/08/1328345408.db2.gz SVHPVWZGGMUMLX-ROUUACIJSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCC[NH+]2C(C)C)cs1 ZINC001027879488 1328345416 /nfs/dbraw/zinc/34/54/16/1328345416.db2.gz SVHPVWZGGMUMLX-ROUUACIJSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCC[NH+]2C(C)C)cs1 ZINC001027879488 1328345423 /nfs/dbraw/zinc/34/54/23/1328345423.db2.gz SVHPVWZGGMUMLX-ROUUACIJSA-N 2 1 349.544 3.010 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001027879135 1328345597 /nfs/dbraw/zinc/34/55/97/1328345597.db2.gz NOIWETQPLHGXRL-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001027879135 1328345607 /nfs/dbraw/zinc/34/56/07/1328345607.db2.gz NOIWETQPLHGXRL-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CC2(CCC2)C1 ZINC001027879135 1328345612 /nfs/dbraw/zinc/34/56/12/1328345612.db2.gz NOIWETQPLHGXRL-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC2CCCCCC2)CC[N@H+]1C ZINC001027892865 1328357669 /nfs/dbraw/zinc/35/76/69/1328357669.db2.gz FZUCAZSHPVBWED-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCCC2)CC[NH+]1C ZINC001027892865 1328357678 /nfs/dbraw/zinc/35/76/78/1328357678.db2.gz FZUCAZSHPVBWED-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCCC2)CC[NH+]1C ZINC001027892865 1328357688 /nfs/dbraw/zinc/35/76/88/1328357688.db2.gz FZUCAZSHPVBWED-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCC2CCCC2)C1 ZINC001027924067 1328403008 /nfs/dbraw/zinc/40/30/08/1328403008.db2.gz CUNLZBRPTFYMHS-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCC2CCCC2)C1 ZINC001027924067 1328403010 /nfs/dbraw/zinc/40/30/10/1328403010.db2.gz CUNLZBRPTFYMHS-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCC2CCCC2)C1 ZINC001027924067 1328403013 /nfs/dbraw/zinc/40/30/13/1328403013.db2.gz CUNLZBRPTFYMHS-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001027927782 1328406796 /nfs/dbraw/zinc/40/67/96/1328406796.db2.gz CVCJDRNFRCKDID-WOJBJXKFSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC2=CCCCC2)C1 ZINC001027927782 1328406802 /nfs/dbraw/zinc/40/68/02/1328406802.db2.gz CVCJDRNFRCKDID-WOJBJXKFSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC2=CCCCC2)C1 ZINC001027927782 1328406805 /nfs/dbraw/zinc/40/68/05/1328406805.db2.gz CVCJDRNFRCKDID-WOJBJXKFSA-N 2 1 347.547 3.045 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027929674 1328407723 /nfs/dbraw/zinc/40/77/23/1328407723.db2.gz HWNKJOLZZMAKTD-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929674 1328407729 /nfs/dbraw/zinc/40/77/29/1328407729.db2.gz HWNKJOLZZMAKTD-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001027929674 1328407736 /nfs/dbraw/zinc/40/77/36/1328407736.db2.gz HWNKJOLZZMAKTD-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[NH+](C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000862481902 1329489824 /nfs/dbraw/zinc/48/98/24/1329489824.db2.gz APACTFOIBBWTRT-NRSPTQNISA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[N@H+](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000862481902 1329489826 /nfs/dbraw/zinc/48/98/26/1329489826.db2.gz APACTFOIBBWTRT-NRSPTQNISA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[N@@H+](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000862481902 1329489829 /nfs/dbraw/zinc/48/98/29/1329489829.db2.gz APACTFOIBBWTRT-NRSPTQNISA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CN(Cc2ccccc2)C1 ZINC000862481902 1329489831 /nfs/dbraw/zinc/48/98/31/1329489831.db2.gz APACTFOIBBWTRT-NRSPTQNISA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CN(Cc2ccccc2)C1 ZINC000862481902 1329489833 /nfs/dbraw/zinc/48/98/33/1329489833.db2.gz APACTFOIBBWTRT-NRSPTQNISA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)CC1(C)OCCO1 ZINC000865673038 1329727965 /nfs/dbraw/zinc/72/79/65/1329727965.db2.gz QXDBDTINBMSJAD-NLWGTHIKSA-N 2 1 346.515 3.418 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)CC1(C)OCCO1 ZINC000865673038 1329727967 /nfs/dbraw/zinc/72/79/67/1329727967.db2.gz QXDBDTINBMSJAD-NLWGTHIKSA-N 2 1 346.515 3.418 20 0 EGADMP O[C@@H](CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCCC1 ZINC000865876918 1329748252 /nfs/dbraw/zinc/74/82/52/1329748252.db2.gz ZACVZQFOMVHMRZ-NRFANRHFSA-N 2 1 330.516 3.224 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000933455298 1329890508 /nfs/dbraw/zinc/89/05/08/1329890508.db2.gz DCAMTCZURZERPB-LZLYRXPVSA-N 2 1 349.544 3.120 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000933455298 1329890510 /nfs/dbraw/zinc/89/05/10/1329890510.db2.gz DCAMTCZURZERPB-LZLYRXPVSA-N 2 1 349.544 3.120 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000933455298 1329890512 /nfs/dbraw/zinc/89/05/12/1329890512.db2.gz DCAMTCZURZERPB-LZLYRXPVSA-N 2 1 349.544 3.120 20 0 EGADMP CCC[N@@H+](C[C@H](O)CSC)C1CCN(Cc2ccccc2)CC1 ZINC000934188100 1329953530 /nfs/dbraw/zinc/95/35/30/1329953530.db2.gz JKRIIUJWDZPGOP-IBGZPJMESA-N 2 1 336.545 3.087 20 0 EGADMP CC[N@@H+](CCC1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1)CC(C)C ZINC000935231461 1330037483 /nfs/dbraw/zinc/03/74/83/1330037483.db2.gz OBBYLSXTVMFXFO-UHFFFAOYSA-N 2 1 339.568 3.371 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)CC1(C)C ZINC000940625176 1331130328 /nfs/dbraw/zinc/13/03/28/1331130328.db2.gz PJXUXMYJIPICEH-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)CC1(C)C ZINC000940625176 1331130331 /nfs/dbraw/zinc/13/03/31/1331130331.db2.gz PJXUXMYJIPICEH-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)CC1(C)C ZINC000940625176 1331130334 /nfs/dbraw/zinc/13/03/34/1331130334.db2.gz PJXUXMYJIPICEH-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1nc[nH]c1CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)CC1(C)C ZINC000941187175 1331377373 /nfs/dbraw/zinc/37/73/73/1331377373.db2.gz WHFFBGFELOSADI-SFHVURJKSA-N 2 1 346.519 3.058 20 0 EGADMP C[C@H]1C[N@@H+](CC2CCC2)CC[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942098884 1331829716 /nfs/dbraw/zinc/82/97/16/1331829716.db2.gz CHJHBMZQFMTKGM-YOEHRIQHSA-N 2 1 349.544 3.050 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942558657 1331974273 /nfs/dbraw/zinc/97/42/73/1331974273.db2.gz ZMKGPKUAOXVCNR-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[N@@H+](CC2CCC(C)(C)CC2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944919973 1332454399 /nfs/dbraw/zinc/45/43/99/1332454399.db2.gz RNHCFDUWRZAZPJ-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946728237 1332885845 /nfs/dbraw/zinc/88/58/45/1332885845.db2.gz AEWLRDKINXWXHB-ZCNNSNEGSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC[C@@H]2C1 ZINC000946728237 1332885846 /nfs/dbraw/zinc/88/58/46/1332885846.db2.gz AEWLRDKINXWXHB-ZCNNSNEGSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)CC[C@@H]2C1 ZINC000946728237 1332885847 /nfs/dbraw/zinc/88/58/47/1332885847.db2.gz AEWLRDKINXWXHB-ZCNNSNEGSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@H+]1CC1CCCC1 ZINC000947653594 1333210161 /nfs/dbraw/zinc/21/01/61/1333210161.db2.gz PSCKDXQWFCDCAF-YJBOKZPZSA-N 2 1 347.503 3.114 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947723844 1333241104 /nfs/dbraw/zinc/24/11/04/1333241104.db2.gz YVSKAKPCVSRTPE-FXAWDEMLSA-N 2 1 345.531 3.029 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947799761 1333265575 /nfs/dbraw/zinc/26/55/75/1333265575.db2.gz CORHQFOKDBZRQH-LPHOPBHVSA-N 2 1 331.504 3.131 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947940873 1333313610 /nfs/dbraw/zinc/31/36/10/1333313610.db2.gz UNFINHPXWLTFIZ-RDJZCZTQSA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947940873 1333313613 /nfs/dbraw/zinc/31/36/13/1333313613.db2.gz UNFINHPXWLTFIZ-RDJZCZTQSA-N 2 1 346.519 3.167 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)[C@H](C)C1 ZINC000948043795 1333351050 /nfs/dbraw/zinc/35/10/50/1333351050.db2.gz IYZXVUHXGVGGLR-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)[C@H](C)C1 ZINC000948043795 1333351054 /nfs/dbraw/zinc/35/10/54/1333351054.db2.gz IYZXVUHXGVGGLR-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948365706 1333496087 /nfs/dbraw/zinc/49/60/87/1333496087.db2.gz RWCHNLIOABWRIS-MOPGFXCFSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948365706 1333496088 /nfs/dbraw/zinc/49/60/88/1333496088.db2.gz RWCHNLIOABWRIS-MOPGFXCFSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948365706 1333496089 /nfs/dbraw/zinc/49/60/89/1333496089.db2.gz RWCHNLIOABWRIS-MOPGFXCFSA-N 2 1 335.536 3.138 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC000948416465 1333516788 /nfs/dbraw/zinc/51/67/88/1333516788.db2.gz GKPUOHCDONUUDX-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948416465 1333516789 /nfs/dbraw/zinc/51/67/89/1333516789.db2.gz GKPUOHCDONUUDX-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948416465 1333516790 /nfs/dbraw/zinc/51/67/90/1333516790.db2.gz GKPUOHCDONUUDX-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439169 1333525955 /nfs/dbraw/zinc/52/59/55/1333525955.db2.gz IWXGLFYEYOKDEZ-MJGOQNOKSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439169 1333525959 /nfs/dbraw/zinc/52/59/59/1333525959.db2.gz IWXGLFYEYOKDEZ-MJGOQNOKSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439169 1333525961 /nfs/dbraw/zinc/52/59/61/1333525961.db2.gz IWXGLFYEYOKDEZ-MJGOQNOKSA-N 2 1 335.536 3.115 20 0 EGADMP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000948589387 1333586479 /nfs/dbraw/zinc/58/64/79/1333586479.db2.gz APRRTWBDCQEWAN-LERPRCHQSA-N 2 1 346.862 3.013 20 0 EGADMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000948743565 1333655542 /nfs/dbraw/zinc/65/55/42/1333655542.db2.gz XVWKYHIOGRFYGK-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[NH+](CC2=CCCCC2)CC1 ZINC000948755743 1333663605 /nfs/dbraw/zinc/66/36/05/1333663605.db2.gz KFNSWTZEFLIVCO-HXUWFJFHSA-N 2 1 345.531 3.038 20 0 EGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[NH+](CC2=CCCCC2)CC1 ZINC000948755743 1333663606 /nfs/dbraw/zinc/66/36/06/1333663606.db2.gz KFNSWTZEFLIVCO-HXUWFJFHSA-N 2 1 345.531 3.038 20 0 EGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[NH+](CCC2CCCC2)CC1 ZINC000948760108 1333664893 /nfs/dbraw/zinc/66/48/93/1333664893.db2.gz SUMGWURNYYIHLI-HXUWFJFHSA-N 2 1 347.547 3.118 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820224 1333697594 /nfs/dbraw/zinc/69/75/94/1333697594.db2.gz CGYGRFVUNDLYDR-QZTJIDSGSA-N 2 1 348.535 3.366 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820224 1333697596 /nfs/dbraw/zinc/69/75/96/1333697596.db2.gz CGYGRFVUNDLYDR-QZTJIDSGSA-N 2 1 348.535 3.366 20 0 EGADMP CC(C)[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000948935043 1333739751 /nfs/dbraw/zinc/73/97/51/1333739751.db2.gz CBCBLXJKWVLUAE-HXUWFJFHSA-N 2 1 348.450 3.072 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC000949801639 1333927044 /nfs/dbraw/zinc/92/70/44/1333927044.db2.gz VZUWSYVRFKXAEU-HXUWFJFHSA-N 2 1 347.547 3.143 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000949856191 1333945173 /nfs/dbraw/zinc/94/51/73/1333945173.db2.gz JIWZKELXMWACAL-IHPCNDPISA-N 2 1 343.515 3.012 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1C[NH+](CC2CCCC2)C1 ZINC000950508347 1334083052 /nfs/dbraw/zinc/08/30/52/1334083052.db2.gz LEFGYOZNYRHGJN-FQEVSTJZSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CC[N@@H+](CCCC2CCC2)C[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000967206249 1335676688 /nfs/dbraw/zinc/67/66/88/1335676688.db2.gz NGVXQFHZXJDZSV-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CC[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000967398727 1335726272 /nfs/dbraw/zinc/72/62/72/1335726272.db2.gz ZYJRZWQFDZIFOG-MAUKXSAKSA-N 2 1 342.487 3.211 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC2CCCCCC2)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000968647288 1335996474 /nfs/dbraw/zinc/99/64/74/1335996474.db2.gz JYGKEJIWKDRQBA-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCC1 ZINC000968849632 1336067257 /nfs/dbraw/zinc/06/72/57/1336067257.db2.gz BYCZRNRIOUYDOL-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCC1 ZINC000968849632 1336067260 /nfs/dbraw/zinc/06/72/60/1336067260.db2.gz BYCZRNRIOUYDOL-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCC1 ZINC000968849632 1336067264 /nfs/dbraw/zinc/06/72/64/1336067264.db2.gz BYCZRNRIOUYDOL-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1CC1 ZINC000968850010 1336067457 /nfs/dbraw/zinc/06/74/57/1336067457.db2.gz MNCISZSVSNYXMC-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CC1 ZINC000968850010 1336067460 /nfs/dbraw/zinc/06/74/60/1336067460.db2.gz MNCISZSVSNYXMC-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CC1 ZINC000968850010 1336067462 /nfs/dbraw/zinc/06/74/62/1336067462.db2.gz MNCISZSVSNYXMC-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968888172 1336080521 /nfs/dbraw/zinc/08/05/21/1336080521.db2.gz QTUZRFWAOKVBST-ROUUACIJSA-N 2 1 344.503 3.088 20 0 EGADMP CC(C)=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968888172 1336080525 /nfs/dbraw/zinc/08/05/25/1336080525.db2.gz QTUZRFWAOKVBST-ROUUACIJSA-N 2 1 344.503 3.088 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCC1 ZINC000968928551 1336093326 /nfs/dbraw/zinc/09/33/26/1336093326.db2.gz NVVDWFLEDGRKLH-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCC1 ZINC000968928551 1336093328 /nfs/dbraw/zinc/09/33/28/1336093328.db2.gz NVVDWFLEDGRKLH-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCC1 ZINC000968928551 1336093332 /nfs/dbraw/zinc/09/33/32/1336093332.db2.gz NVVDWFLEDGRKLH-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CC=C(C)C)C1 ZINC000968991134 1336112329 /nfs/dbraw/zinc/11/23/29/1336112329.db2.gz WAURNUSADDMREX-WOJBJXKFSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC=C(C)C)C1 ZINC000968991134 1336112331 /nfs/dbraw/zinc/11/23/31/1336112331.db2.gz WAURNUSADDMREX-WOJBJXKFSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC=C(C)C)C1 ZINC000968991134 1336112333 /nfs/dbraw/zinc/11/23/33/1336112333.db2.gz WAURNUSADDMREX-WOJBJXKFSA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CCC(C)(C)C)CC1 ZINC000969013965 1336118814 /nfs/dbraw/zinc/11/88/14/1336118814.db2.gz LKBDYZFSDWLJMH-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(C)cc1Br ZINC001205317902 1370720174 /nfs/dbraw/zinc/72/01/74/1370720174.db2.gz QLQRTWBZWACXCK-IAQYHMDHSA-N 2 1 325.294 3.483 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(C)cc1Br ZINC001205317902 1370720177 /nfs/dbraw/zinc/72/01/77/1370720177.db2.gz QLQRTWBZWACXCK-IAQYHMDHSA-N 2 1 325.294 3.483 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1CC1 ZINC000969059672 1336133008 /nfs/dbraw/zinc/13/30/08/1336133008.db2.gz QJQIGOPJWPKOIH-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CC1 ZINC000969059672 1336133010 /nfs/dbraw/zinc/13/30/10/1336133010.db2.gz QJQIGOPJWPKOIH-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CC1 ZINC000969059672 1336133013 /nfs/dbraw/zinc/13/30/13/1336133013.db2.gz QJQIGOPJWPKOIH-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CCC2CC2)CC1 ZINC000969100901 1336143609 /nfs/dbraw/zinc/14/36/09/1336143609.db2.gz LLIVWSVJIYQFHY-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CC2CCCCCC2)C1 ZINC000969144245 1336160524 /nfs/dbraw/zinc/16/05/24/1336160524.db2.gz HQMHKDNRSZQMIS-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC2CCCCCC2)C1 ZINC000969144245 1336160526 /nfs/dbraw/zinc/16/05/26/1336160526.db2.gz HQMHKDNRSZQMIS-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC2CCCCCC2)C1 ZINC000969144245 1336160529 /nfs/dbraw/zinc/16/05/29/1336160529.db2.gz HQMHKDNRSZQMIS-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1c(C)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC001205318530 1370719612 /nfs/dbraw/zinc/71/96/12/1370719612.db2.gz VUBJIXYYQVSALT-IAQYHMDHSA-N 2 1 325.294 3.483 20 0 EGADMP Cc1c(C)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC001205318530 1370719619 /nfs/dbraw/zinc/71/96/19/1370719619.db2.gz VUBJIXYYQVSALT-IAQYHMDHSA-N 2 1 325.294 3.483 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000969636403 1336231586 /nfs/dbraw/zinc/23/15/86/1336231586.db2.gz MECMASPQUKILEP-OLMNPRSZSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC000969968828 1336267518 /nfs/dbraw/zinc/26/75/18/1336267518.db2.gz LACJMRSRICEOFK-QFBILLFUSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC=C(C)C)C1 ZINC000970720116 1336335350 /nfs/dbraw/zinc/33/53/50/1336335350.db2.gz YCRRGMOFTGMLKQ-IEBWSBKVSA-N 2 1 335.536 3.044 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC=C(C)C)C1 ZINC000970720115 1336335585 /nfs/dbraw/zinc/33/55/85/1336335585.db2.gz YCRRGMOFTGMLKQ-HKUYNNGSSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001005478773 1336358474 /nfs/dbraw/zinc/35/84/74/1336358474.db2.gz YWRTYCZVHLPLJP-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001005534375 1336368970 /nfs/dbraw/zinc/36/89/70/1336368970.db2.gz XWMQAMPQOLBOPI-QZTJIDSGSA-N 2 1 344.503 3.016 20 0 EGADMP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001005580489 1336375145 /nfs/dbraw/zinc/37/51/45/1336375145.db2.gz HCGOZTFJQRRFON-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CCC(C)(C)C)CC2)CC[N@H+]1C ZINC001005883822 1336415663 /nfs/dbraw/zinc/41/56/63/1336415663.db2.gz IIXUBXFOUBATNI-IRXDYDNUSA-N 2 1 337.552 3.076 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001006443482 1336506990 /nfs/dbraw/zinc/50/69/90/1336506990.db2.gz FETNFGCKDPNWCB-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2CCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001007622368 1336679908 /nfs/dbraw/zinc/67/99/08/1336679908.db2.gz UYBRSADDBBLNMG-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001007799217 1336702986 /nfs/dbraw/zinc/70/29/86/1336702986.db2.gz HYSSYGJWGKJFOJ-IBGZPJMESA-N 2 1 348.450 3.037 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](CCC3CCCC3)C2)C1 ZINC001008274257 1336811598 /nfs/dbraw/zinc/81/15/98/1336811598.db2.gz FZOOGOQRWHYEFQ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@H+](CCC3CCCC3)C2)C1 ZINC001008274257 1336811600 /nfs/dbraw/zinc/81/16/00/1336811600.db2.gz FZOOGOQRWHYEFQ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@@H+](CCC3CCCC3)C2)C1 ZINC001008274257 1336811602 /nfs/dbraw/zinc/81/16/02/1336811602.db2.gz FZOOGOQRWHYEFQ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008299053 1336817937 /nfs/dbraw/zinc/81/79/37/1336817937.db2.gz MDQVYZZVRACFBX-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008299053 1336817940 /nfs/dbraw/zinc/81/79/40/1336817940.db2.gz MDQVYZZVRACFBX-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008299053 1336817944 /nfs/dbraw/zinc/81/79/44/1336817944.db2.gz MDQVYZZVRACFBX-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001008746773 1336919241 /nfs/dbraw/zinc/91/92/41/1336919241.db2.gz JOBAUXUHCXETMJ-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001008771939 1336923809 /nfs/dbraw/zinc/92/38/09/1336923809.db2.gz WOGDQXHFHWOMRX-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001008771939 1336923815 /nfs/dbraw/zinc/92/38/15/1336923815.db2.gz WOGDQXHFHWOMRX-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001008771939 1336923817 /nfs/dbraw/zinc/92/38/17/1336923817.db2.gz WOGDQXHFHWOMRX-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP COc1ccc(Br)cc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206292880 1371014593 /nfs/dbraw/zinc/01/45/93/1371014593.db2.gz FHURCLDWCOHTOJ-INIZCTEOSA-N 2 1 341.293 3.409 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001014606584 1337846286 /nfs/dbraw/zinc/84/62/86/1337846286.db2.gz GNNKMVLKZTVNAU-INIZCTEOSA-N 2 1 349.544 3.050 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001014606584 1337846288 /nfs/dbraw/zinc/84/62/88/1337846288.db2.gz GNNKMVLKZTVNAU-INIZCTEOSA-N 2 1 349.544 3.050 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014723022 1337884528 /nfs/dbraw/zinc/88/45/28/1337884528.db2.gz NYHAIJCUTZAPIF-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001014723022 1337884535 /nfs/dbraw/zinc/88/45/35/1337884535.db2.gz NYHAIJCUTZAPIF-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001014723022 1337884540 /nfs/dbraw/zinc/88/45/40/1337884540.db2.gz NYHAIJCUTZAPIF-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+](CCCc3cccc(Br)c3)C2)C1 ZINC001208824528 1371906859 /nfs/dbraw/zinc/90/68/59/1371906859.db2.gz IZBGOIGWOXGETQ-KRWDZBQOSA-N 2 1 337.305 3.409 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](CCCc3cccc(Br)c3)C2)C1 ZINC001208824528 1371906863 /nfs/dbraw/zinc/90/68/63/1371906863.db2.gz IZBGOIGWOXGETQ-KRWDZBQOSA-N 2 1 337.305 3.409 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCc3cccc(Br)c3)C2)C1 ZINC001208824528 1371906867 /nfs/dbraw/zinc/90/68/67/1371906867.db2.gz IZBGOIGWOXGETQ-KRWDZBQOSA-N 2 1 337.305 3.409 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001015793591 1338313068 /nfs/dbraw/zinc/31/30/68/1338313068.db2.gz AOIHWNKEZMMUSC-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001015793591 1338313074 /nfs/dbraw/zinc/31/30/74/1338313074.db2.gz AOIHWNKEZMMUSC-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001015793591 1338313075 /nfs/dbraw/zinc/31/30/75/1338313075.db2.gz AOIHWNKEZMMUSC-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001015797118 1338315165 /nfs/dbraw/zinc/31/51/65/1338315165.db2.gz XWOJFGPTOYBLLT-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001015797118 1338315167 /nfs/dbraw/zinc/31/51/67/1338315167.db2.gz XWOJFGPTOYBLLT-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001015797118 1338315169 /nfs/dbraw/zinc/31/51/69/1338315169.db2.gz XWOJFGPTOYBLLT-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@@H+](CCC3CCCCCC3)C2)CC1 ZINC001015796737 1338315916 /nfs/dbraw/zinc/31/59/16/1338315916.db2.gz PRBGGKQAFGNIEA-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001016339667 1338555380 /nfs/dbraw/zinc/55/53/80/1338555380.db2.gz QSUAZGLKBNNKFG-LJQANCHMSA-N 2 1 341.499 3.053 20 0 EGADMP CC(C)[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001016623313 1338667983 /nfs/dbraw/zinc/66/79/83/1338667983.db2.gz CWHKWGJJKFZWNQ-PKOBYXMFSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001016830764 1338740543 /nfs/dbraw/zinc/74/05/43/1338740543.db2.gz VIVZCCIMTZWRTM-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001017151969 1338901757 /nfs/dbraw/zinc/90/17/57/1338901757.db2.gz JHYANWJVMIBABJ-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001017151969 1338901759 /nfs/dbraw/zinc/90/17/59/1338901759.db2.gz JHYANWJVMIBABJ-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001017151969 1338901762 /nfs/dbraw/zinc/90/17/62/1338901762.db2.gz JHYANWJVMIBABJ-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H](C[NH+](C)CC3CCC3)C2)C1 ZINC001017190639 1338936886 /nfs/dbraw/zinc/93/68/86/1338936886.db2.gz BZBMDYWUNLWPEJ-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@H](C[N@H+](C)CC3CCC3)C2)C1 ZINC001017190639 1338936891 /nfs/dbraw/zinc/93/68/91/1338936891.db2.gz BZBMDYWUNLWPEJ-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@H](C[N@@H+](C)CC3CCC3)C2)C1 ZINC001017190639 1338936895 /nfs/dbraw/zinc/93/68/95/1338936895.db2.gz BZBMDYWUNLWPEJ-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001017554876 1339366691 /nfs/dbraw/zinc/36/66/91/1339366691.db2.gz FQXSHKOFWBDJLR-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001017554876 1339366692 /nfs/dbraw/zinc/36/66/92/1339366692.db2.gz FQXSHKOFWBDJLR-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001017554876 1339366694 /nfs/dbraw/zinc/36/66/94/1339366694.db2.gz FQXSHKOFWBDJLR-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001017659586 1339385449 /nfs/dbraw/zinc/38/54/49/1339385449.db2.gz WMBRYZZEUGWWHR-YRXWBPOGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001017659586 1339385450 /nfs/dbraw/zinc/38/54/50/1339385450.db2.gz WMBRYZZEUGWWHR-YRXWBPOGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001017659586 1339385452 /nfs/dbraw/zinc/38/54/52/1339385452.db2.gz WMBRYZZEUGWWHR-YRXWBPOGSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001018310446 1339571429 /nfs/dbraw/zinc/57/14/29/1339571429.db2.gz LVFKECYJURDQRL-IJXRJRJASA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001018310446 1339571430 /nfs/dbraw/zinc/57/14/30/1339571430.db2.gz LVFKECYJURDQRL-IJXRJRJASA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001018836499 1339736036 /nfs/dbraw/zinc/73/60/36/1339736036.db2.gz BNXNSASQBPNBKV-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001028332157 1340570603 /nfs/dbraw/zinc/57/06/03/1340570603.db2.gz ABZDPRRMNKPZBC-HXUWFJFHSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001028646807 1340741947 /nfs/dbraw/zinc/74/19/47/1340741947.db2.gz AUNBHFAGRJKYNG-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001028646807 1340741951 /nfs/dbraw/zinc/74/19/51/1340741951.db2.gz AUNBHFAGRJKYNG-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001028646807 1340741953 /nfs/dbraw/zinc/74/19/53/1340741953.db2.gz AUNBHFAGRJKYNG-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001029001814 1340904677 /nfs/dbraw/zinc/90/46/77/1340904677.db2.gz CJKWGUUDQVBKIF-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001029001814 1340904679 /nfs/dbraw/zinc/90/46/79/1340904679.db2.gz CJKWGUUDQVBKIF-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001029001814 1340904681 /nfs/dbraw/zinc/90/46/81/1340904681.db2.gz CJKWGUUDQVBKIF-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001029001810 1340904967 /nfs/dbraw/zinc/90/49/67/1340904967.db2.gz CJKWGUUDQVBKIF-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001029001810 1340904968 /nfs/dbraw/zinc/90/49/68/1340904968.db2.gz CJKWGUUDQVBKIF-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001029001810 1340904969 /nfs/dbraw/zinc/90/49/69/1340904969.db2.gz CJKWGUUDQVBKIF-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001029004397 1340905237 /nfs/dbraw/zinc/90/52/37/1340905237.db2.gz WEKOCVJBLZYLDM-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001029004397 1340905239 /nfs/dbraw/zinc/90/52/39/1340905239.db2.gz WEKOCVJBLZYLDM-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001029004397 1340905241 /nfs/dbraw/zinc/90/52/41/1340905241.db2.gz WEKOCVJBLZYLDM-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001029003225 1340905324 /nfs/dbraw/zinc/90/53/24/1340905324.db2.gz JFHURPIZKYSXHN-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001029003225 1340905325 /nfs/dbraw/zinc/90/53/25/1340905325.db2.gz JFHURPIZKYSXHN-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001029003225 1340905326 /nfs/dbraw/zinc/90/53/26/1340905326.db2.gz JFHURPIZKYSXHN-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCCC1)[NH+](C)C ZINC001029356516 1340976675 /nfs/dbraw/zinc/97/66/75/1340976675.db2.gz PPVVXTOYWFJOCW-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCC2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001030315443 1341178206 /nfs/dbraw/zinc/17/82/06/1341178206.db2.gz XMKPBOQERQOZEF-GOSISDBHSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001030442005 1341187754 /nfs/dbraw/zinc/18/77/54/1341187754.db2.gz JTYCKKFEJGFEAV-LJQANCHMSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001031050869 1341270524 /nfs/dbraw/zinc/27/05/24/1341270524.db2.gz ZVMCHNGBAAJFNM-LJQANCHMSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001031050869 1341270526 /nfs/dbraw/zinc/27/05/26/1341270526.db2.gz ZVMCHNGBAAJFNM-LJQANCHMSA-N 2 1 349.563 3.266 20 0 EGADMP O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001031766735 1341399184 /nfs/dbraw/zinc/39/91/84/1341399184.db2.gz MLFIIVOEAYNFRK-PMACEKPBSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NCC1C[NH+](CCC2CCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001032042761 1341444251 /nfs/dbraw/zinc/44/42/51/1341444251.db2.gz JPTXYNVVZSKQLK-UXHICEINSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NCC1C[NH+](CC2CCCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001032042548 1341444444 /nfs/dbraw/zinc/44/44/44/1341444444.db2.gz DJZJVVRGDSFYIJ-PMACEKPBSA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCCCCC2)C1 ZINC001032205572 1341472809 /nfs/dbraw/zinc/47/28/09/1341472809.db2.gz BZYSBONYSLFGEN-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001033143542 1341738295 /nfs/dbraw/zinc/73/82/95/1341738295.db2.gz HMMOJCLSDQQFDK-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCC3CCCC3)C2)C1 ZINC001033143542 1341738299 /nfs/dbraw/zinc/73/82/99/1341738299.db2.gz HMMOJCLSDQQFDK-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001033143542 1341738302 /nfs/dbraw/zinc/73/83/02/1341738302.db2.gz HMMOJCLSDQQFDK-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033145568 1341738901 /nfs/dbraw/zinc/73/89/01/1341738901.db2.gz IEOFKDHVYUZPOP-OALUTQOASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033145568 1341738902 /nfs/dbraw/zinc/73/89/02/1341738902.db2.gz IEOFKDHVYUZPOP-OALUTQOASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033145568 1341738903 /nfs/dbraw/zinc/73/89/03/1341738903.db2.gz IEOFKDHVYUZPOP-OALUTQOASA-N 2 1 349.563 3.218 20 0 EGADMP Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001033213129 1341754313 /nfs/dbraw/zinc/75/43/13/1341754313.db2.gz HEXUFLAGTYMJPZ-KRWDZBQOSA-N 2 1 342.487 3.225 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033319304 1341779993 /nfs/dbraw/zinc/77/99/93/1341779993.db2.gz PFIFWZUHAUZAAR-IEBWSBKVSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033416751 1341820991 /nfs/dbraw/zinc/82/09/91/1341820991.db2.gz RGHXWTVAKFTKFZ-PKOBYXMFSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001033416751 1341820992 /nfs/dbraw/zinc/82/09/92/1341820992.db2.gz RGHXWTVAKFTKFZ-PKOBYXMFSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001033416751 1341820993 /nfs/dbraw/zinc/82/09/93/1341820993.db2.gz RGHXWTVAKFTKFZ-PKOBYXMFSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001033468409 1341838292 /nfs/dbraw/zinc/83/82/92/1341838292.db2.gz ZFWMFYDBEPMCAN-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033664026 1341934069 /nfs/dbraw/zinc/93/40/69/1341934069.db2.gz BLUUZWHVLSPOKV-MAUKXSAKSA-N 2 1 349.906 3.030 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033664026 1341934075 /nfs/dbraw/zinc/93/40/75/1341934075.db2.gz BLUUZWHVLSPOKV-MAUKXSAKSA-N 2 1 349.906 3.030 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033684457 1341949506 /nfs/dbraw/zinc/94/95/06/1341949506.db2.gz FSQOOKFQQRDSEY-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033684457 1341949511 /nfs/dbraw/zinc/94/95/11/1341949511.db2.gz FSQOOKFQQRDSEY-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033684457 1341949515 /nfs/dbraw/zinc/94/95/15/1341949515.db2.gz FSQOOKFQQRDSEY-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033826390 1342027241 /nfs/dbraw/zinc/02/72/41/1342027241.db2.gz PJVFWYZLTLHPAJ-RBUKOAKNSA-N 2 1 349.563 3.218 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033826390 1342027242 /nfs/dbraw/zinc/02/72/42/1342027242.db2.gz PJVFWYZLTLHPAJ-RBUKOAKNSA-N 2 1 349.563 3.218 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033826390 1342027245 /nfs/dbraw/zinc/02/72/45/1342027245.db2.gz PJVFWYZLTLHPAJ-RBUKOAKNSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033826367 1342027858 /nfs/dbraw/zinc/02/78/58/1342027858.db2.gz OXQUXPNRLGXGSC-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033826367 1342027860 /nfs/dbraw/zinc/02/78/60/1342027860.db2.gz OXQUXPNRLGXGSC-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033826367 1342027862 /nfs/dbraw/zinc/02/78/62/1342027862.db2.gz OXQUXPNRLGXGSC-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001033837645 1342035965 /nfs/dbraw/zinc/03/59/65/1342035965.db2.gz TXUVCWHJRXZPMB-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CC[NH+](CC(C)C)C1 ZINC001033837645 1342035970 /nfs/dbraw/zinc/03/59/70/1342035970.db2.gz TXUVCWHJRXZPMB-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+](CC(C)C)C1 ZINC001033837645 1342035973 /nfs/dbraw/zinc/03/59/73/1342035973.db2.gz TXUVCWHJRXZPMB-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](F)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033989627 1342133360 /nfs/dbraw/zinc/13/33/60/1342133360.db2.gz MSDXQODNVWYKFL-MOPGFXCFSA-N 2 1 349.494 3.033 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034012465 1342148838 /nfs/dbraw/zinc/14/88/38/1342148838.db2.gz OZUFVZLIXFEQCM-YLJYHZDGSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3CCCCC3)C2)CC[N@H+]1C ZINC001034217847 1342323792 /nfs/dbraw/zinc/32/37/92/1342323792.db2.gz WFLIYNMMCNUXIA-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](CC3CCCCC3)C2)CC[NH+]1C ZINC001034217847 1342323794 /nfs/dbraw/zinc/32/37/94/1342323794.db2.gz WFLIYNMMCNUXIA-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CCCCC3)C2)CC[NH+]1C ZINC001034217847 1342323795 /nfs/dbraw/zinc/32/37/95/1342323795.db2.gz WFLIYNMMCNUXIA-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3CCCC3)C2)C1 ZINC001034237946 1342339739 /nfs/dbraw/zinc/33/97/39/1342339739.db2.gz DJGPZCMLQXURHV-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@H+](CC3CCCC3)C2)C1 ZINC001034237946 1342339742 /nfs/dbraw/zinc/33/97/42/1342339742.db2.gz DJGPZCMLQXURHV-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CCCC3)C2)C1 ZINC001034237946 1342339745 /nfs/dbraw/zinc/33/97/45/1342339745.db2.gz DJGPZCMLQXURHV-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034248438 1342345480 /nfs/dbraw/zinc/34/54/80/1342345480.db2.gz CEGZTSIGZXTYBL-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[N@H+](CC2CCC2)C1 ZINC001034248438 1342345484 /nfs/dbraw/zinc/34/54/84/1342345484.db2.gz CEGZTSIGZXTYBL-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[N@@H+](CC2CCC2)C1 ZINC001034248438 1342345488 /nfs/dbraw/zinc/34/54/88/1342345488.db2.gz CEGZTSIGZXTYBL-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034250512 1342347940 /nfs/dbraw/zinc/34/79/40/1342347940.db2.gz RGNNYAQYGHLGMC-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034250512 1342347943 /nfs/dbraw/zinc/34/79/43/1342347943.db2.gz RGNNYAQYGHLGMC-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034250512 1342347947 /nfs/dbraw/zinc/34/79/47/1342347947.db2.gz RGNNYAQYGHLGMC-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034269411 1342360242 /nfs/dbraw/zinc/36/02/42/1342360242.db2.gz DCTXUZGUHYMRRK-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034269411 1342360245 /nfs/dbraw/zinc/36/02/45/1342360245.db2.gz DCTXUZGUHYMRRK-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCCCC2)C1 ZINC001034269411 1342360247 /nfs/dbraw/zinc/36/02/47/1342360247.db2.gz DCTXUZGUHYMRRK-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCCC2)C1 ZINC001034269411 1342360249 /nfs/dbraw/zinc/36/02/49/1342360249.db2.gz DCTXUZGUHYMRRK-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034290097 1342376334 /nfs/dbraw/zinc/37/63/34/1342376334.db2.gz FYPHUNHYHGCZHX-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCCC[N@@H+](CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001034339401 1342413795 /nfs/dbraw/zinc/41/37/95/1342413795.db2.gz FAUTWZJUYHMKJX-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034425520 1342487319 /nfs/dbraw/zinc/48/73/19/1342487319.db2.gz GLROPHUQVWUNGB-IAGOWNOFSA-N 2 1 334.508 3.023 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034425520 1342487321 /nfs/dbraw/zinc/48/73/21/1342487321.db2.gz GLROPHUQVWUNGB-IAGOWNOFSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CC3CC(C)C3)C2)CC1 ZINC001034471417 1342525779 /nfs/dbraw/zinc/52/57/79/1342525779.db2.gz CEXSBBGRUCMJQK-QLOJAFMTSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034480781 1342537615 /nfs/dbraw/zinc/53/76/15/1342537615.db2.gz NQUAAJVVJSFAPN-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCC2)C1 ZINC001034480781 1342537619 /nfs/dbraw/zinc/53/76/19/1342537619.db2.gz NQUAAJVVJSFAPN-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCC2)C1 ZINC001034480781 1342537621 /nfs/dbraw/zinc/53/76/21/1342537621.db2.gz NQUAAJVVJSFAPN-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001034491295 1342547935 /nfs/dbraw/zinc/54/79/35/1342547935.db2.gz RYKMPQXENURDNJ-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001034491295 1342547937 /nfs/dbraw/zinc/54/79/37/1342547937.db2.gz RYKMPQXENURDNJ-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001034491295 1342547938 /nfs/dbraw/zinc/54/79/38/1342547938.db2.gz RYKMPQXENURDNJ-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@@H+](CC2CCCCCC2)C1 ZINC001034528750 1342586123 /nfs/dbraw/zinc/58/61/23/1342586123.db2.gz QECWYYIIZIVZHV-IBGZPJMESA-N 2 1 335.536 3.023 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001034607103 1342645446 /nfs/dbraw/zinc/64/54/46/1342645446.db2.gz KVTMBHISRMYLHL-GUDVDZBRSA-N 2 1 347.547 3.068 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001034612567 1342648157 /nfs/dbraw/zinc/64/81/57/1342648157.db2.gz SXQJYQXSAGXMAX-JPLJXNOCSA-N 2 1 343.515 3.167 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1 ZINC001034675330 1342686532 /nfs/dbraw/zinc/68/65/32/1342686532.db2.gz ZRDCGVXQQPVVND-VAMGGRTRSA-N 2 1 347.547 3.378 20 0 EGADMP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001034714382 1342710234 /nfs/dbraw/zinc/71/02/34/1342710234.db2.gz ATPVKGWNORHXAE-BJLQDIEVSA-N 2 1 349.563 3.457 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCC3=CCCCC3)CC2)C1 ZINC001034734485 1342728870 /nfs/dbraw/zinc/72/88/70/1342728870.db2.gz PMGVVXJWBVZVNE-IHPCNDPISA-N 2 1 347.547 3.236 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(C)C)CC1 ZINC001034775390 1342753376 /nfs/dbraw/zinc/75/33/76/1342753376.db2.gz NTZNYDQRTBAXNI-GUDVDZBRSA-N 2 1 337.552 3.314 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCCCC3)CC2)C1 ZINC001034792107 1342761235 /nfs/dbraw/zinc/76/12/35/1342761235.db2.gz FFCIUMNNOBEQSO-UFYCRDLUSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC2CCC2)cc1 ZINC001034817011 1342781135 /nfs/dbraw/zinc/78/11/35/1342781135.db2.gz NQDRABHGGAQCKR-FQEVSTJZSA-N 2 1 343.515 3.067 20 0 EGADMP CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cc1 ZINC001034821925 1342784199 /nfs/dbraw/zinc/78/41/99/1342784199.db2.gz AYVWXJIUHAGLEJ-FQEVSTJZSA-N 2 1 343.515 3.209 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCCC2)CC[N@H+]1C ZINC001034941242 1342845103 /nfs/dbraw/zinc/84/51/03/1342845103.db2.gz NPWNRWVETLZVFO-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001035239694 1343062995 /nfs/dbraw/zinc/06/29/95/1343062995.db2.gz XFOARHGTBXVNSI-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035810599 1343210256 /nfs/dbraw/zinc/21/02/56/1343210256.db2.gz OVSHDFZUYAYVGU-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001036097007 1343311921 /nfs/dbraw/zinc/31/19/21/1343311921.db2.gz QXBYLQIYSFPLJR-APWZRJJASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H]([NH2+]CCC2CC2)[C@H](C)C1 ZINC001036205857 1343362995 /nfs/dbraw/zinc/36/29/95/1343362995.db2.gz YQBZUZARBQDJRM-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC2CCCC2)[C@@H](C)C1 ZINC001036208182 1343364332 /nfs/dbraw/zinc/36/43/32/1343364332.db2.gz OAUFERMIEZMILJ-FUHWJXTLSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001036408010 1343469289 /nfs/dbraw/zinc/46/92/89/1343469289.db2.gz CYVOKBXSXSTSRA-PKOBYXMFSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001036453886 1343495859 /nfs/dbraw/zinc/49/58/59/1343495859.db2.gz GRTSIHUDNHLLDC-SJORKVTESA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036717094 1343649145 /nfs/dbraw/zinc/64/91/45/1343649145.db2.gz PRRIFKYQVLGTJZ-RTBURBONSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036859089 1343792906 /nfs/dbraw/zinc/79/29/06/1343792906.db2.gz KBNVBFHSEWQDQU-VQTJNVASSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1CC ZINC001037934539 1344189892 /nfs/dbraw/zinc/18/98/92/1344189892.db2.gz NJUWMQSNOKCSQP-IAGOWNOFSA-N 2 1 334.508 3.023 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001038315198 1344377108 /nfs/dbraw/zinc/37/71/08/1344377108.db2.gz PEJVOFCEFSUXSA-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001038315198 1344377111 /nfs/dbraw/zinc/37/71/11/1344377111.db2.gz PEJVOFCEFSUXSA-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CC1CCCCCC1)C12CCC[NH+](CCC1)C2 ZINC001038407771 1344414891 /nfs/dbraw/zinc/41/48/91/1344414891.db2.gz ZLOVRAIONMEREO-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP Cc1c(C(=O)NC[C@H]2CC[N@H+]2CCCC2CCC2)ccc2c[nH+]cn21 ZINC001038441338 1344429963 /nfs/dbraw/zinc/42/99/63/1344429963.db2.gz IADUFJHDSVTVPR-QGZVFWFLSA-N 2 1 340.471 3.027 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@H]2CNC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC001038518638 1344462700 /nfs/dbraw/zinc/46/27/00/1344462700.db2.gz FAZLXCJJZBMMKY-JXFKEZNVSA-N 2 1 348.450 3.208 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001039047264 1344732575 /nfs/dbraw/zinc/73/25/75/1344732575.db2.gz CMESKBRBMWUFGE-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001039047264 1344732579 /nfs/dbraw/zinc/73/25/79/1344732579.db2.gz CMESKBRBMWUFGE-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCC1 ZINC001039047264 1344732586 /nfs/dbraw/zinc/73/25/86/1344732586.db2.gz CMESKBRBMWUFGE-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC([C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001039133745 1344812108 /nfs/dbraw/zinc/81/21/08/1344812108.db2.gz LPOSXJSQUPVYJS-UXHICEINSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039133745 1344812112 /nfs/dbraw/zinc/81/21/12/1344812112.db2.gz LPOSXJSQUPVYJS-UXHICEINSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039133745 1344812114 /nfs/dbraw/zinc/81/21/14/1344812114.db2.gz LPOSXJSQUPVYJS-UXHICEINSA-N 2 1 349.563 3.218 20 0 EGADMP CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039175834 1344867188 /nfs/dbraw/zinc/86/71/88/1344867188.db2.gz DWLOTGXONYJXTL-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039175833 1344867763 /nfs/dbraw/zinc/86/77/63/1344867763.db2.gz DWLOTGXONYJXTL-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)CC2)C1 ZINC001039183043 1344881025 /nfs/dbraw/zinc/88/10/25/1344881025.db2.gz UZJVAVSYBVSVJM-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214364 1344930042 /nfs/dbraw/zinc/93/00/42/1344930042.db2.gz OKPIKEWELLLJPD-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039214364 1344930043 /nfs/dbraw/zinc/93/00/43/1344930043.db2.gz OKPIKEWELLLJPD-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039214364 1344930044 /nfs/dbraw/zinc/93/00/44/1344930044.db2.gz OKPIKEWELLLJPD-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241746 1344967096 /nfs/dbraw/zinc/96/70/96/1344967096.db2.gz IBEJKDXEFGNFDL-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001039424172 1345061477 /nfs/dbraw/zinc/06/14/77/1345061477.db2.gz DHGVMOKCTIBCQU-FFGOWVMKSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001039424172 1345061484 /nfs/dbraw/zinc/06/14/84/1345061484.db2.gz DHGVMOKCTIBCQU-FFGOWVMKSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001039424172 1345061492 /nfs/dbraw/zinc/06/14/92/1345061492.db2.gz DHGVMOKCTIBCQU-FFGOWVMKSA-N 2 1 349.563 3.218 20 0 EGADMP C[NH+](C)C1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCC2CCCC2)CCC1 ZINC001039644032 1345152362 /nfs/dbraw/zinc/15/23/62/1345152362.db2.gz LCEMSFUDYJAENT-KDURUIRLSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](C)C1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC2CCCCC2)CCC1 ZINC001039644065 1345152622 /nfs/dbraw/zinc/15/26/22/1345152622.db2.gz LXYZKISBAFJPOH-KDURUIRLSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H](C)c1ccccc1)[NH+](C)C ZINC001039681450 1345157494 /nfs/dbraw/zinc/15/74/94/1345157494.db2.gz CSIPGDLNPAMKNX-RSPOEFSDSA-N 2 1 343.515 3.153 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCC(C)C)C1 ZINC001039863614 1345219619 /nfs/dbraw/zinc/21/96/19/1345219619.db2.gz JZFHFUKQSOEVQY-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCC(C)C)C1 ZINC001039863614 1345219622 /nfs/dbraw/zinc/21/96/22/1345219622.db2.gz JZFHFUKQSOEVQY-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCC(C)C)C1 ZINC001039863614 1345219626 /nfs/dbraw/zinc/21/96/26/1345219626.db2.gz JZFHFUKQSOEVQY-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCC1 ZINC001039937845 1345252009 /nfs/dbraw/zinc/25/20/09/1345252009.db2.gz HCEMCBXHLCPGFN-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001039937845 1345252013 /nfs/dbraw/zinc/25/20/13/1345252013.db2.gz HCEMCBXHLCPGFN-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001039937845 1345252014 /nfs/dbraw/zinc/25/20/14/1345252014.db2.gz HCEMCBXHLCPGFN-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040202045 1345373629 /nfs/dbraw/zinc/37/36/29/1345373629.db2.gz PGGLUEMRAYEZSL-PZJWPPBQSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202045 1345373633 /nfs/dbraw/zinc/37/36/33/1345373633.db2.gz PGGLUEMRAYEZSL-PZJWPPBQSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202045 1345373636 /nfs/dbraw/zinc/37/36/36/1345373636.db2.gz PGGLUEMRAYEZSL-PZJWPPBQSA-N 2 1 347.547 3.140 20 0 EGADMP CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040242181 1345392475 /nfs/dbraw/zinc/39/24/75/1345392475.db2.gz WZDQBKNGQCKJDC-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040242181 1345392478 /nfs/dbraw/zinc/39/24/78/1345392478.db2.gz WZDQBKNGQCKJDC-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040242181 1345392481 /nfs/dbraw/zinc/39/24/81/1345392481.db2.gz WZDQBKNGQCKJDC-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040480107 1345514035 /nfs/dbraw/zinc/51/40/35/1345514035.db2.gz RTVVPMCUZRADRH-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](C(C)C)C2 ZINC001040487732 1345516987 /nfs/dbraw/zinc/51/69/87/1345516987.db2.gz GQKFSFXHSRNGRG-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C(C)C)C2 ZINC001040487732 1345516988 /nfs/dbraw/zinc/51/69/88/1345516988.db2.gz GQKFSFXHSRNGRG-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040487732 1345516990 /nfs/dbraw/zinc/51/69/90/1345516990.db2.gz GQKFSFXHSRNGRG-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC001040744952 1345573518 /nfs/dbraw/zinc/57/35/18/1345573518.db2.gz FPBNOABKBDIBTA-MOPGFXCFSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041842120 1345869697 /nfs/dbraw/zinc/86/96/97/1345869697.db2.gz BHQSPGFBBNCTAR-OAQYLSRUSA-N 2 1 343.515 3.086 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041845100 1345871177 /nfs/dbraw/zinc/87/11/77/1345871177.db2.gz SRORVDSZHBZFBY-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042365317 1346057939 /nfs/dbraw/zinc/05/79/39/1346057939.db2.gz MZLSQJYTMRSJSP-AZUAARDMSA-N 2 1 343.515 3.085 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001044170375 1346265231 /nfs/dbraw/zinc/26/52/31/1346265231.db2.gz OAQJBSISTAWBMQ-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2C)C1 ZINC001044335352 1346301177 /nfs/dbraw/zinc/30/11/77/1346301177.db2.gz HFFYIIBIGFVQOF-XLIONFOSSA-N 2 1 343.515 3.073 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2C)C1 ZINC001044335352 1346301178 /nfs/dbraw/zinc/30/11/78/1346301178.db2.gz HFFYIIBIGFVQOF-XLIONFOSSA-N 2 1 343.515 3.073 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044627604 1346386600 /nfs/dbraw/zinc/38/66/00/1346386600.db2.gz ASYLIKZWJQAWHW-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044628677 1346387150 /nfs/dbraw/zinc/38/71/50/1346387150.db2.gz IQWZFGJOHYPPPR-IEBWSBKVSA-N 2 1 347.547 3.330 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C[C@H]1C ZINC001044686997 1346403334 /nfs/dbraw/zinc/40/33/34/1346403334.db2.gz XQTCHRHOOFPJPZ-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]([NH2+]CCC2CC2)C[C@@H]1C ZINC001044768331 1346424458 /nfs/dbraw/zinc/42/44/58/1346424458.db2.gz VDSNCGDUDMDRND-WMZOPIPTSA-N 2 1 346.519 3.166 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045061136 1346488423 /nfs/dbraw/zinc/48/84/23/1346488423.db2.gz UASOAGADZRTNQX-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001045103831 1346495374 /nfs/dbraw/zinc/49/53/74/1346495374.db2.gz OZZUGSXZLMOKDB-OALUTQOASA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001045444357 1346595132 /nfs/dbraw/zinc/59/51/32/1346595132.db2.gz KYIDRJWNOVUIPY-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC1CCC(C[NH+]2CCC(C)(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001045528613 1346618115 /nfs/dbraw/zinc/61/81/15/1346618115.db2.gz ANNGOXOUIAEOKC-ACBHZAAOSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001045950549 1346785728 /nfs/dbraw/zinc/78/57/28/1346785728.db2.gz FNMUSJZAEBEPNU-FQEVSTJZSA-N 2 1 340.471 3.063 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045964991 1346800594 /nfs/dbraw/zinc/80/05/94/1346800594.db2.gz BBJFHDQRSACAPG-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001045964991 1346800598 /nfs/dbraw/zinc/80/05/98/1346800598.db2.gz BBJFHDQRSACAPG-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001045964991 1346800599 /nfs/dbraw/zinc/80/05/99/1346800599.db2.gz BBJFHDQRSACAPG-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001045969138 1346804287 /nfs/dbraw/zinc/80/42/87/1346804287.db2.gz MCVGFDPPUUSJQU-HXUWFJFHSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001045969138 1346804289 /nfs/dbraw/zinc/80/42/89/1346804289.db2.gz MCVGFDPPUUSJQU-HXUWFJFHSA-N 2 1 346.519 3.121 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CCC2CCCCC2)C1 ZINC001046316730 1346932068 /nfs/dbraw/zinc/93/20/68/1346932068.db2.gz QGZOMOVLKALRSR-TZIWHRDSSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CCC2CCCCC2)C1 ZINC001046316730 1346932070 /nfs/dbraw/zinc/93/20/70/1346932070.db2.gz QGZOMOVLKALRSR-TZIWHRDSSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CCC2CCCCC2)C1 ZINC001046316730 1346932073 /nfs/dbraw/zinc/93/20/73/1346932073.db2.gz QGZOMOVLKALRSR-TZIWHRDSSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046316939 1346932221 /nfs/dbraw/zinc/93/22/21/1346932221.db2.gz CPWKBENOTCENGL-XLIONFOSSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046316939 1346932222 /nfs/dbraw/zinc/93/22/22/1346932222.db2.gz CPWKBENOTCENGL-XLIONFOSSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046316939 1346932224 /nfs/dbraw/zinc/93/22/24/1346932224.db2.gz CPWKBENOTCENGL-XLIONFOSSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](CCC3CCCC3)C2)C1 ZINC001046368448 1346952022 /nfs/dbraw/zinc/95/20/22/1346952022.db2.gz CHGLKZGSSSEBIB-PZJWPPBQSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@H+](CCC3CCCC3)C2)C1 ZINC001046368448 1346952024 /nfs/dbraw/zinc/95/20/24/1346952024.db2.gz CHGLKZGSSSEBIB-PZJWPPBQSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001046368448 1346952025 /nfs/dbraw/zinc/95/20/25/1346952025.db2.gz CHGLKZGSSSEBIB-PZJWPPBQSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC3=CCCCC3)C2)C1 ZINC001046375728 1346954277 /nfs/dbraw/zinc/95/42/77/1346954277.db2.gz OYKIIOFXJGRJCU-CTNGQTDRSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001046375728 1346954278 /nfs/dbraw/zinc/95/42/78/1346954278.db2.gz OYKIIOFXJGRJCU-CTNGQTDRSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001046375728 1346954281 /nfs/dbraw/zinc/95/42/81/1346954281.db2.gz OYKIIOFXJGRJCU-CTNGQTDRSA-N 2 1 347.547 3.045 20 0 EGADMP Cc1c(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001046435265 1346974826 /nfs/dbraw/zinc/97/48/26/1346974826.db2.gz AFENIVYYLUWFMV-NRFANRHFSA-N 2 1 348.450 3.037 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCCC3CCCC3)C2)CC[N@H+]1C ZINC001046570332 1347022228 /nfs/dbraw/zinc/02/22/28/1347022228.db2.gz ZDSHNADRTRXNRS-CUWPLCDZSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001046570332 1347022231 /nfs/dbraw/zinc/02/22/31/1347022231.db2.gz ZDSHNADRTRXNRS-CUWPLCDZSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001046570332 1347022234 /nfs/dbraw/zinc/02/22/34/1347022234.db2.gz ZDSHNADRTRXNRS-CUWPLCDZSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132442230 1375386136 /nfs/dbraw/zinc/38/61/36/1375386136.db2.gz XMNAYMFBUAZRTD-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCC(C)(C)C)C1 ZINC001132442230 1375386140 /nfs/dbraw/zinc/38/61/40/1375386140.db2.gz XMNAYMFBUAZRTD-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC(C)(C)C)C1 ZINC001132442230 1375386144 /nfs/dbraw/zinc/38/61/44/1375386144.db2.gz XMNAYMFBUAZRTD-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046739861 1347078196 /nfs/dbraw/zinc/07/81/96/1347078196.db2.gz XGNXHAINPFMIKI-HXUWFJFHSA-N 2 1 337.552 3.124 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCCCC1)C2 ZINC001047201875 1347241502 /nfs/dbraw/zinc/24/15/02/1347241502.db2.gz WOSVSKUQNFBCHL-UFYCRDLUSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047244435 1347269782 /nfs/dbraw/zinc/26/97/82/1347269782.db2.gz RCIVEHHKUPAJFT-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001047253748 1347277840 /nfs/dbraw/zinc/27/78/40/1347277840.db2.gz HUMDACBMRMITFX-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001047257173 1347280162 /nfs/dbraw/zinc/28/01/62/1347280162.db2.gz PFZQDCFRHVJQNQ-ICSRJNTNSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1C ZINC001079687814 1357349019 /nfs/dbraw/zinc/34/90/19/1357349019.db2.gz WQJBDCJLSMXRAT-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1C ZINC001079687814 1357349021 /nfs/dbraw/zinc/34/90/21/1357349021.db2.gz WQJBDCJLSMXRAT-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1C ZINC001079687814 1357349026 /nfs/dbraw/zinc/34/90/26/1357349026.db2.gz WQJBDCJLSMXRAT-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700560 1357350639 /nfs/dbraw/zinc/35/06/39/1357350639.db2.gz DBLMJXBQMZUYIV-QWFCFKBJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001079700560 1357350641 /nfs/dbraw/zinc/35/06/41/1357350641.db2.gz DBLMJXBQMZUYIV-QWFCFKBJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001079700560 1357350646 /nfs/dbraw/zinc/35/06/46/1357350646.db2.gz DBLMJXBQMZUYIV-QWFCFKBJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001048607185 1347616749 /nfs/dbraw/zinc/61/67/49/1347616749.db2.gz PZHYKNCQRYXXQK-VAMGGRTRSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC001049466124 1347861525 /nfs/dbraw/zinc/86/15/25/1347861525.db2.gz ZNBWNHZZXBUPSQ-GUDVDZBRSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049466124 1347861526 /nfs/dbraw/zinc/86/15/26/1347861526.db2.gz ZNBWNHZZXBUPSQ-GUDVDZBRSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(C)(C)C ZINC001049466124 1347861529 /nfs/dbraw/zinc/86/15/29/1347861529.db2.gz ZNBWNHZZXBUPSQ-GUDVDZBRSA-N 2 1 349.563 3.361 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477872 1347868635 /nfs/dbraw/zinc/86/86/35/1347868635.db2.gz JPJJFWWLVWWTTP-ROUUACIJSA-N 2 1 335.536 3.116 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001049566192 1347913746 /nfs/dbraw/zinc/91/37/46/1347913746.db2.gz HGNRREUZFUJPGV-XUVXKRRUSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049566192 1347913749 /nfs/dbraw/zinc/91/37/49/1347913749.db2.gz HGNRREUZFUJPGV-XUVXKRRUSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049566192 1347913750 /nfs/dbraw/zinc/91/37/50/1347913750.db2.gz HGNRREUZFUJPGV-XUVXKRRUSA-N 2 1 347.547 3.138 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049752039 1348000736 /nfs/dbraw/zinc/00/07/36/1348000736.db2.gz FMNSYGCYYYYWFE-KSZLIROESA-N 2 1 346.519 3.118 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049752039 1348000740 /nfs/dbraw/zinc/00/07/40/1348000740.db2.gz FMNSYGCYYYYWFE-KSZLIROESA-N 2 1 346.519 3.118 20 0 EGADMP C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CC1)[NH+]1CCCCCC1 ZINC001049768163 1348011464 /nfs/dbraw/zinc/01/14/64/1348011464.db2.gz UFGYOPRBBNHAFG-MISYRCLQSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049915601 1348110054 /nfs/dbraw/zinc/11/00/54/1348110054.db2.gz XFSVBAVLIAATLH-AQNXPRMDSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050046467 1348164638 /nfs/dbraw/zinc/16/46/38/1348164638.db2.gz FWOLVLALKWNMTQ-SLFFLAALSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050046467 1348164640 /nfs/dbraw/zinc/16/46/40/1348164640.db2.gz FWOLVLALKWNMTQ-SLFFLAALSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001050046467 1348164641 /nfs/dbraw/zinc/16/46/41/1348164641.db2.gz FWOLVLALKWNMTQ-SLFFLAALSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001050175313 1348202969 /nfs/dbraw/zinc/20/29/69/1348202969.db2.gz OZNXUGCNKVFTME-YSIASYRMSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]C(C)C)cc1 ZINC001050265223 1348222652 /nfs/dbraw/zinc/22/26/52/1348222652.db2.gz LJJVUJVOXXEWRZ-XLIONFOSSA-N 2 1 345.531 3.482 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]C(C)C)cc1 ZINC001050265224 1348222739 /nfs/dbraw/zinc/22/27/39/1348222739.db2.gz LJJVUJVOXXEWRZ-YLJYHZDGSA-N 2 1 345.531 3.482 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001050336524 1348230691 /nfs/dbraw/zinc/23/06/91/1348230691.db2.gz NBAIDYUFXZZECS-UFYCRDLUSA-N 2 1 349.563 3.316 20 0 EGADMP CC1CCC(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001050389943 1348247704 /nfs/dbraw/zinc/24/77/04/1348247704.db2.gz IWARMLKLOHBBHM-WFAGLZIHSA-N 2 1 349.563 3.029 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001050521454 1348283018 /nfs/dbraw/zinc/28/30/18/1348283018.db2.gz YCOGAUFCSRTRAA-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)CC1 ZINC001050632639 1348309396 /nfs/dbraw/zinc/30/93/96/1348309396.db2.gz LFFRVKPNPRFHIG-LJQANCHMSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001052377116 1348535430 /nfs/dbraw/zinc/53/54/30/1348535430.db2.gz NJRWMDLUJXYNML-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001052377116 1348535431 /nfs/dbraw/zinc/53/54/31/1348535431.db2.gz NJRWMDLUJXYNML-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001052377116 1348535433 /nfs/dbraw/zinc/53/54/33/1348535433.db2.gz NJRWMDLUJXYNML-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2=CCCCC2)CC1 ZINC001052499486 1348560400 /nfs/dbraw/zinc/56/04/00/1348560400.db2.gz WDBJTSMVKXGAAI-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC001052499486 1348560403 /nfs/dbraw/zinc/56/04/03/1348560403.db2.gz WDBJTSMVKXGAAI-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC001052499486 1348560405 /nfs/dbraw/zinc/56/04/05/1348560405.db2.gz WDBJTSMVKXGAAI-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052531449 1348567631 /nfs/dbraw/zinc/56/76/31/1348567631.db2.gz JHRZGGSCYMUMCE-GOSISDBHSA-N 2 1 342.487 3.355 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001052561499 1348579638 /nfs/dbraw/zinc/57/96/38/1348579638.db2.gz ABEKLQVRBLPFSQ-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001052561499 1348579641 /nfs/dbraw/zinc/57/96/41/1348579641.db2.gz ABEKLQVRBLPFSQ-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001052590809 1348588943 /nfs/dbraw/zinc/58/89/43/1348588943.db2.gz HAGWFQYHIVPLLC-WOJBJXKFSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](CC=C(C)C)CC2)C1 ZINC001052652134 1348614403 /nfs/dbraw/zinc/61/44/03/1348614403.db2.gz UBMQSVRUHDFCOK-RBUKOAKNSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@H+](CC=C(C)C)CC2)C1 ZINC001052652134 1348614406 /nfs/dbraw/zinc/61/44/06/1348614406.db2.gz UBMQSVRUHDFCOK-RBUKOAKNSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC=C(C)C)CC2)C1 ZINC001052652134 1348614409 /nfs/dbraw/zinc/61/44/09/1348614409.db2.gz UBMQSVRUHDFCOK-RBUKOAKNSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](CC=C(C)C)CC2)C1 ZINC001052652132 1348614714 /nfs/dbraw/zinc/61/47/14/1348614714.db2.gz UBMQSVRUHDFCOK-MOPGFXCFSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@H+](CC=C(C)C)CC2)C1 ZINC001052652132 1348614717 /nfs/dbraw/zinc/61/47/17/1348614717.db2.gz UBMQSVRUHDFCOK-MOPGFXCFSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC=C(C)C)CC2)C1 ZINC001052652132 1348614723 /nfs/dbraw/zinc/61/47/23/1348614723.db2.gz UBMQSVRUHDFCOK-MOPGFXCFSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC001052712953 1348645206 /nfs/dbraw/zinc/64/52/06/1348645206.db2.gz QGOXRMHUCGREDU-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001052712953 1348645208 /nfs/dbraw/zinc/64/52/08/1348645208.db2.gz QGOXRMHUCGREDU-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001052712953 1348645210 /nfs/dbraw/zinc/64/52/10/1348645210.db2.gz QGOXRMHUCGREDU-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CC3=CCCCC3)CC2)C1 ZINC001052715968 1348645319 /nfs/dbraw/zinc/64/53/19/1348645319.db2.gz KEGMVYVWITUHAI-IBGZPJMESA-N 2 1 347.547 3.189 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CC3=CCCCC3)CC2)C1 ZINC001052715968 1348645320 /nfs/dbraw/zinc/64/53/20/1348645320.db2.gz KEGMVYVWITUHAI-IBGZPJMESA-N 2 1 347.547 3.189 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CC3=CCCCC3)CC2)C1 ZINC001052715968 1348645324 /nfs/dbraw/zinc/64/53/24/1348645324.db2.gz KEGMVYVWITUHAI-IBGZPJMESA-N 2 1 347.547 3.189 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC001052717292 1348646856 /nfs/dbraw/zinc/64/68/56/1348646856.db2.gz VNKGTUSZRGAUBG-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC001052717292 1348646858 /nfs/dbraw/zinc/64/68/58/1348646858.db2.gz VNKGTUSZRGAUBG-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC001052717292 1348646861 /nfs/dbraw/zinc/64/68/61/1348646861.db2.gz VNKGTUSZRGAUBG-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC001052764723 1348669714 /nfs/dbraw/zinc/66/97/14/1348669714.db2.gz RMTVKANRCIVJPO-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@@H+](CC3=CCCCC3)CC2)CC1 ZINC001052766940 1348670848 /nfs/dbraw/zinc/67/08/48/1348670848.db2.gz QCXXHZWBDOKQKA-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCC3CCCC3)CC2)CC1 ZINC001052821367 1348690007 /nfs/dbraw/zinc/69/00/07/1348690007.db2.gz YJDDJFPBNFSTGO-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CCCC3)CC2)CC1 ZINC001052836214 1348695149 /nfs/dbraw/zinc/69/51/49/1348695149.db2.gz GKDQZWNJLSHYGL-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052837771 1348695687 /nfs/dbraw/zinc/69/56/87/1348695687.db2.gz VUIUKUCOQCILRX-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)CC1 ZINC001052937221 1348757143 /nfs/dbraw/zinc/75/71/43/1348757143.db2.gz IPAVNBWACNUZPV-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052953722 1348768748 /nfs/dbraw/zinc/76/87/48/1348768748.db2.gz GTJZHGGGPKNYEN-FQEVSTJZSA-N 2 1 343.515 3.299 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001052955465 1348769450 /nfs/dbraw/zinc/76/94/50/1348769450.db2.gz GPUAGSVZBFQAPW-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001052955465 1348769454 /nfs/dbraw/zinc/76/94/54/1348769454.db2.gz GPUAGSVZBFQAPW-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001052955465 1348769457 /nfs/dbraw/zinc/76/94/57/1348769457.db2.gz GPUAGSVZBFQAPW-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052956872 1348771275 /nfs/dbraw/zinc/77/12/75/1348771275.db2.gz BDJVHZNLKNHVGN-GOSISDBHSA-N 2 1 331.504 3.133 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC001052959738 1348772869 /nfs/dbraw/zinc/77/28/69/1348772869.db2.gz XETNYAIZTXHEIR-CEUCYRDJSA-N 2 1 349.906 3.085 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029972 1348828905 /nfs/dbraw/zinc/82/89/05/1348828905.db2.gz ZGTXTLQWQZJAHM-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053047751 1348849862 /nfs/dbraw/zinc/84/98/62/1348849862.db2.gz RTTQHSLKYLPDCH-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053053743 1348859130 /nfs/dbraw/zinc/85/91/30/1348859130.db2.gz BUJIIKHMQXGPBD-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053096920 1348926912 /nfs/dbraw/zinc/92/69/12/1348926912.db2.gz BHSIGCXJUSGPRT-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001053096920 1348926916 /nfs/dbraw/zinc/92/69/16/1348926916.db2.gz BHSIGCXJUSGPRT-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001053096920 1348926920 /nfs/dbraw/zinc/92/69/20/1348926920.db2.gz BHSIGCXJUSGPRT-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCCCC3)C2)C1)[NH+](C)C ZINC001054152732 1349156226 /nfs/dbraw/zinc/15/62/26/1349156226.db2.gz GUUZMNSWXUVLEZ-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001054153476 1349157098 /nfs/dbraw/zinc/15/70/98/1349157098.db2.gz RMZHKRCBEUTBNA-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001054153476 1349157099 /nfs/dbraw/zinc/15/70/99/1349157099.db2.gz RMZHKRCBEUTBNA-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001054153476 1349157100 /nfs/dbraw/zinc/15/71/00/1349157100.db2.gz RMZHKRCBEUTBNA-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC(C(=O)N2CCC[C@@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)CC1 ZINC001054191052 1349193398 /nfs/dbraw/zinc/19/33/98/1349193398.db2.gz YEDFSJLQZRTZHZ-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001054197611 1349199458 /nfs/dbraw/zinc/19/94/58/1349199458.db2.gz FVEDWQBGIVOFRU-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001054197611 1349199459 /nfs/dbraw/zinc/19/94/59/1349199459.db2.gz FVEDWQBGIVOFRU-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001054197611 1349199462 /nfs/dbraw/zinc/19/94/62/1349199462.db2.gz FVEDWQBGIVOFRU-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCC3CCCC3)C2)C1)[NH+](C)C ZINC001054199198 1349201343 /nfs/dbraw/zinc/20/13/43/1349201343.db2.gz PRQXWDAAUUTLRI-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054245043 1349238803 /nfs/dbraw/zinc/23/88/03/1349238803.db2.gz NSYXNGHURYHVEE-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054245045 1349238923 /nfs/dbraw/zinc/23/89/23/1349238923.db2.gz NSYXNGHURYHVEE-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[N@H+]1Cc2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2C1 ZINC001054279498 1349280880 /nfs/dbraw/zinc/28/08/80/1349280880.db2.gz HYZVBGDHGOCUMB-MRXNPFEDSA-N 2 1 343.515 3.006 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001054296807 1349302003 /nfs/dbraw/zinc/30/20/03/1349302003.db2.gz PRNUPINADOVBGF-NLWGTHIKSA-N 2 1 343.515 3.039 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001080021931 1357460696 /nfs/dbraw/zinc/46/06/96/1357460696.db2.gz YTIYIEDXJLHJCG-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C ZINC001080021931 1357460699 /nfs/dbraw/zinc/46/06/99/1357460699.db2.gz YTIYIEDXJLHJCG-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C ZINC001080021931 1357460701 /nfs/dbraw/zinc/46/07/01/1357460701.db2.gz YTIYIEDXJLHJCG-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP C[N@@H+](Cc1ccnc(Cl)c1Br)CC1CC[NH+](C)CC1 ZINC001233181805 1376581214 /nfs/dbraw/zinc/58/12/14/1376581214.db2.gz VOCJWFLENUOSDL-UHFFFAOYSA-N 2 1 346.700 3.271 20 0 EGADMP C[N@H+](Cc1ccnc(Cl)c1Br)CC1CC[NH+](C)CC1 ZINC001233181805 1376581217 /nfs/dbraw/zinc/58/12/17/1376581217.db2.gz VOCJWFLENUOSDL-UHFFFAOYSA-N 2 1 346.700 3.271 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C ZINC001080541345 1357668863 /nfs/dbraw/zinc/66/88/63/1357668863.db2.gz PHIMADXOXMXNHQ-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C ZINC001080541345 1357668867 /nfs/dbraw/zinc/66/88/67/1357668867.db2.gz PHIMADXOXMXNHQ-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558890 1357678351 /nfs/dbraw/zinc/67/83/51/1357678351.db2.gz JVOYGVFWHKLGHR-YLJYHZDGSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@H+]1CCC1CC1 ZINC001071508590 1354733583 /nfs/dbraw/zinc/73/35/83/1354733583.db2.gz QHLLLAIBSYSYDL-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001071547497 1354759950 /nfs/dbraw/zinc/75/99/50/1354759950.db2.gz UWFRBYPITJENKX-GDBMZVCRSA-N 2 1 337.533 3.193 20 0 EGADMP CCCC[N@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001071547497 1354759954 /nfs/dbraw/zinc/75/99/54/1354759954.db2.gz UWFRBYPITJENKX-GDBMZVCRSA-N 2 1 337.533 3.193 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071600631 1354788992 /nfs/dbraw/zinc/78/89/92/1354788992.db2.gz OLAIYKAYOYWLPW-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001071689154 1354852480 /nfs/dbraw/zinc/85/24/80/1354852480.db2.gz GPOWOUINFKRYCX-YJBOKZPZSA-N 2 1 342.487 3.353 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@H+]1CCC1CC1 ZINC001071896686 1355011936 /nfs/dbraw/zinc/01/19/36/1355011936.db2.gz HNEMORQBXMYBFJ-OXQOHEQNSA-N 2 1 343.515 3.131 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CCC1CCCCCC1 ZINC001072082382 1355119319 /nfs/dbraw/zinc/11/93/19/1355119319.db2.gz ZCPPPUSFZNWZPN-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001072085147 1355120297 /nfs/dbraw/zinc/12/02/97/1355120297.db2.gz NUQZHESTOZHMRC-APWZRJJASA-N 2 1 344.503 3.051 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001072085147 1355120298 /nfs/dbraw/zinc/12/02/98/1355120298.db2.gz NUQZHESTOZHMRC-APWZRJJASA-N 2 1 344.503 3.051 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001183240616 1387283801 /nfs/dbraw/zinc/28/38/01/1387283801.db2.gz MSPSDXNNLNECKY-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC1 ZINC001074015801 1356036469 /nfs/dbraw/zinc/03/64/69/1356036469.db2.gz PMCJGTMNGYSNPA-FUHWJXTLSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC1 ZINC001074015801 1356036471 /nfs/dbraw/zinc/03/64/71/1356036471.db2.gz PMCJGTMNGYSNPA-FUHWJXTLSA-N 2 1 346.519 3.120 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001074064638 1356061894 /nfs/dbraw/zinc/06/18/94/1356061894.db2.gz FTCVUXZGNYENEA-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001074064638 1356061896 /nfs/dbraw/zinc/06/18/96/1356061896.db2.gz FTCVUXZGNYENEA-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001074064638 1356061901 /nfs/dbraw/zinc/06/19/01/1356061901.db2.gz FTCVUXZGNYENEA-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@@H]1C ZINC001074648747 1356220994 /nfs/dbraw/zinc/22/09/94/1356220994.db2.gz IHJOHSAXSHHHKN-YSIASYRMSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)[C@@H]1C ZINC001074648537 1356221255 /nfs/dbraw/zinc/22/12/55/1356221255.db2.gz DDRSGWRIGQFGER-WDSOQIARSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001074693798 1356224394 /nfs/dbraw/zinc/22/43/94/1356224394.db2.gz TYTGMOLRZLSXSG-IHPCNDPISA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001074693485 1356224635 /nfs/dbraw/zinc/22/46/35/1356224635.db2.gz COPICRTYQZUPGM-UHOSZYNNSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448309 1356380891 /nfs/dbraw/zinc/38/08/91/1356380891.db2.gz SXMSSSZVPJLRQY-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075448309 1356380893 /nfs/dbraw/zinc/38/08/93/1356380893.db2.gz SXMSSSZVPJLRQY-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075448309 1356380896 /nfs/dbraw/zinc/38/08/96/1356380896.db2.gz SXMSSSZVPJLRQY-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)CC1 ZINC001075457050 1356388950 /nfs/dbraw/zinc/38/89/50/1356388950.db2.gz HWHYGZCOPOBRNK-BJLQDIEVSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC001075457050 1356388954 /nfs/dbraw/zinc/38/89/54/1356388954.db2.gz HWHYGZCOPOBRNK-BJLQDIEVSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC001075457050 1356388958 /nfs/dbraw/zinc/38/89/58/1356388958.db2.gz HWHYGZCOPOBRNK-BJLQDIEVSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(CC)CC)C[C@H]32)C1 ZINC001076161805 1356510182 /nfs/dbraw/zinc/51/01/82/1356510182.db2.gz TVMPZDXDLFYYSQ-XUVXKRRUSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(CC)CC)C[C@H]32)C1 ZINC001076161805 1356510184 /nfs/dbraw/zinc/51/01/84/1356510184.db2.gz TVMPZDXDLFYYSQ-XUVXKRRUSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(CC)CC)C[C@H]32)C1 ZINC001076161805 1356510186 /nfs/dbraw/zinc/51/01/86/1356510186.db2.gz TVMPZDXDLFYYSQ-XUVXKRRUSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21)[NH+]1CCCCCC1 ZINC001076324104 1356548936 /nfs/dbraw/zinc/54/89/36/1356548936.db2.gz NLALEOYTXRDWNH-GBESFXJTSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)C2 ZINC001098485886 1363340420 /nfs/dbraw/zinc/34/04/20/1363340420.db2.gz ZCTCMANSRLZYDL-NXHRZFHOSA-N 2 1 347.503 3.257 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001183254293 1387285943 /nfs/dbraw/zinc/28/59/43/1387285943.db2.gz BVFBGMWKZUZSOL-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1C ZINC001080998960 1357777108 /nfs/dbraw/zinc/77/71/08/1357777108.db2.gz VORWVRQXMLNRGT-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1C ZINC001080998960 1357777111 /nfs/dbraw/zinc/77/71/11/1357777111.db2.gz VORWVRQXMLNRGT-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1C ZINC001080998960 1357777115 /nfs/dbraw/zinc/77/71/15/1357777115.db2.gz VORWVRQXMLNRGT-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC001183375047 1387304265 /nfs/dbraw/zinc/30/42/65/1387304265.db2.gz NYPVNDJGLJZGJX-MAEOIBBWSA-N 2 1 340.471 3.334 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001183517310 1387316009 /nfs/dbraw/zinc/31/60/09/1387316009.db2.gz ZTKXHPVXBQOYBY-QWFCFKBJSA-N 2 1 339.568 3.083 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC001084383359 1358205632 /nfs/dbraw/zinc/20/56/32/1358205632.db2.gz AQWZDFPOEMTAHF-BFYDXBDKSA-N 2 1 349.544 3.002 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC001084383359 1358205635 /nfs/dbraw/zinc/20/56/35/1358205635.db2.gz AQWZDFPOEMTAHF-BFYDXBDKSA-N 2 1 349.544 3.002 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853316 1358328346 /nfs/dbraw/zinc/32/83/46/1358328346.db2.gz HJTDKZVADUUZHG-VAMGGRTRSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC001085217426 1358436475 /nfs/dbraw/zinc/43/64/75/1358436475.db2.gz AWGZPVUFIKWADD-VAMGGRTRSA-N 2 1 343.515 3.078 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001085217891 1358436620 /nfs/dbraw/zinc/43/66/20/1358436620.db2.gz WIUZRDYEPIVKQC-QRVBRYPASA-N 2 1 349.563 3.314 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC001085389311 1358485936 /nfs/dbraw/zinc/48/59/36/1358485936.db2.gz CTWBDTXHLPWHSU-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085432442 1358498524 /nfs/dbraw/zinc/49/85/24/1358498524.db2.gz XZMJHNXADFKEJR-QRVBRYPASA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001085594069 1358620152 /nfs/dbraw/zinc/62/01/52/1358620152.db2.gz YDJCUSBTDIUIMZ-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001085594069 1358620155 /nfs/dbraw/zinc/62/01/55/1358620155.db2.gz YDJCUSBTDIUIMZ-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCCC1 ZINC001085594069 1358620160 /nfs/dbraw/zinc/62/01/60/1358620160.db2.gz YDJCUSBTDIUIMZ-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085597649 1358623913 /nfs/dbraw/zinc/62/39/13/1358623913.db2.gz CFMNDOKRGRCHCL-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085597649 1358623916 /nfs/dbraw/zinc/62/39/16/1358623916.db2.gz CFMNDOKRGRCHCL-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085597649 1358623921 /nfs/dbraw/zinc/62/39/21/1358623921.db2.gz CFMNDOKRGRCHCL-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085597648 1358624192 /nfs/dbraw/zinc/62/41/92/1358624192.db2.gz CFMNDOKRGRCHCL-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085597648 1358624194 /nfs/dbraw/zinc/62/41/94/1358624194.db2.gz CFMNDOKRGRCHCL-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085597648 1358624198 /nfs/dbraw/zinc/62/41/98/1358624198.db2.gz CFMNDOKRGRCHCL-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCCC1CCC1)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699932 1358694013 /nfs/dbraw/zinc/69/40/13/1358694013.db2.gz ZOEHAAFVQLSWRW-SFHVURJKSA-N 2 1 340.471 3.061 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001183869563 1387364090 /nfs/dbraw/zinc/36/40/90/1387364090.db2.gz WJXKIOYOVIRUJS-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994169 1358949298 /nfs/dbraw/zinc/94/92/98/1358949298.db2.gz DOXSRADYXWDOSW-SJORKVTESA-N 2 1 349.519 3.314 20 0 EGADMP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001086119339 1359001420 /nfs/dbraw/zinc/00/14/20/1359001420.db2.gz KMEFKFOFDRQYFF-YRPNKDGESA-N 2 1 347.547 3.068 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC[N@H+]1C ZINC001086371778 1359079500 /nfs/dbraw/zinc/07/95/00/1359079500.db2.gz YTGKCUXWQKQLNN-NXWXRZEISA-N 2 1 349.563 3.027 20 0 EGADMP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001086399391 1359086767 /nfs/dbraw/zinc/08/67/67/1359086767.db2.gz AGLVOUGKYLIKEH-LWYYNNOASA-N 2 1 347.547 3.068 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086402179 1359088401 /nfs/dbraw/zinc/08/84/01/1359088401.db2.gz KZFFUFFZKIWTDI-VAMGGRTRSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001086558791 1359145109 /nfs/dbraw/zinc/14/51/09/1359145109.db2.gz RIUKIIHSLVGXNX-VAMGGRTRSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001086734636 1359193497 /nfs/dbraw/zinc/19/34/97/1359193497.db2.gz NJLYHXZKPAZCGE-XUVXKRRUSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086882787 1359220495 /nfs/dbraw/zinc/22/04/95/1359220495.db2.gz MKJVHLFJMJNNPM-UHOSZYNNSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC2(C[C@@H]1C)CC[NH+](C(C)C)CC2 ZINC001086926970 1359252013 /nfs/dbraw/zinc/25/20/13/1359252013.db2.gz OTSOWLFVOPPEDY-RBUKOAKNSA-N 2 1 349.563 3.361 20 0 EGADMP C[C@@H]1CC2(CN1C(=O)[C@H]1CC[N@@H+](C)C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001086956611 1359277622 /nfs/dbraw/zinc/27/76/22/1359277622.db2.gz RHFAFIMJFJGDLH-MSOLQXFVSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@H+]1CC1=CCCCC1 ZINC001087569743 1359536164 /nfs/dbraw/zinc/53/61/64/1359536164.db2.gz KSNZOPJAAMCVDQ-ZCNNSNEGSA-N 2 1 347.547 3.329 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CC1=CCCCC1 ZINC001087569743 1359536165 /nfs/dbraw/zinc/53/61/65/1359536165.db2.gz KSNZOPJAAMCVDQ-ZCNNSNEGSA-N 2 1 347.547 3.329 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC[NH+]1CC1=CCCCC1 ZINC001087569743 1359536167 /nfs/dbraw/zinc/53/61/67/1359536167.db2.gz KSNZOPJAAMCVDQ-ZCNNSNEGSA-N 2 1 347.547 3.329 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1CC(C)C ZINC001087602442 1359551117 /nfs/dbraw/zinc/55/11/17/1359551117.db2.gz PULUPTJMOQOSQY-OTWHNJEPSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1CC(C)C ZINC001087602442 1359551121 /nfs/dbraw/zinc/55/11/21/1359551121.db2.gz PULUPTJMOQOSQY-OTWHNJEPSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1CC(C)C ZINC001087602442 1359551123 /nfs/dbraw/zinc/55/11/23/1359551123.db2.gz PULUPTJMOQOSQY-OTWHNJEPSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@H+]1CC1CC2(CCC2)C1 ZINC001087726094 1359613700 /nfs/dbraw/zinc/61/37/00/1359613700.db2.gz QQBYLPYMFHYMPY-NZSAHSFTSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC[NH+]1CC1CC2(CCC2)C1 ZINC001087726094 1359613704 /nfs/dbraw/zinc/61/37/04/1359613704.db2.gz QQBYLPYMFHYMPY-NZSAHSFTSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC[NH+]1CC1CC2(CCC2)C1 ZINC001087726094 1359613707 /nfs/dbraw/zinc/61/37/07/1359613707.db2.gz QQBYLPYMFHYMPY-NZSAHSFTSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CCC(C)(C)C ZINC001087728460 1359613992 /nfs/dbraw/zinc/61/39/92/1359613992.db2.gz XTUMEQSIXLUDHI-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CCC(C)(C)C ZINC001087728460 1359613993 /nfs/dbraw/zinc/61/39/93/1359613993.db2.gz XTUMEQSIXLUDHI-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CCC(C)(C)C ZINC001087728460 1359613994 /nfs/dbraw/zinc/61/39/94/1359613994.db2.gz XTUMEQSIXLUDHI-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1CC[C@@H](C)F ZINC001087839853 1359673618 /nfs/dbraw/zinc/67/36/18/1359673618.db2.gz WXUWVGYNFHKPKT-AYOQOUSVSA-N 2 1 349.494 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1 ZINC001088323516 1359830708 /nfs/dbraw/zinc/83/07/08/1359830708.db2.gz QXHRSOFJSKGVCX-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001088348135 1359834191 /nfs/dbraw/zinc/83/41/91/1359834191.db2.gz LOSIBKUOYAVCOP-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCCC[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001088382000 1359864736 /nfs/dbraw/zinc/86/47/36/1359864736.db2.gz ROQBCEGZNJGFTM-UYAOXDASSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[NH2+][C@H]1CCCCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001088431063 1359899181 /nfs/dbraw/zinc/89/91/81/1359899181.db2.gz GVXJRJIFOUKVOU-RBUKOAKNSA-N 2 1 331.504 3.059 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001088563486 1359973947 /nfs/dbraw/zinc/97/39/47/1359973947.db2.gz SGWXIJAGBVFEOI-NEWSRXKRSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001088563486 1359973949 /nfs/dbraw/zinc/97/39/49/1359973949.db2.gz SGWXIJAGBVFEOI-NEWSRXKRSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001088563486 1359973953 /nfs/dbraw/zinc/97/39/53/1359973953.db2.gz SGWXIJAGBVFEOI-NEWSRXKRSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001088563338 1359974552 /nfs/dbraw/zinc/97/45/52/1359974552.db2.gz MYVAMUHVVCDVOO-NZSAHSFTSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1C ZINC001088563338 1359974553 /nfs/dbraw/zinc/97/45/53/1359974553.db2.gz MYVAMUHVVCDVOO-NZSAHSFTSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1C ZINC001088563338 1359974555 /nfs/dbraw/zinc/97/45/55/1359974555.db2.gz MYVAMUHVVCDVOO-NZSAHSFTSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCCCCC3)[C@@H]2C)CC[N@H+]1C ZINC001088579536 1359978800 /nfs/dbraw/zinc/97/88/00/1359978800.db2.gz NTAZMKXPELGCGY-BTHPGYMESA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CCCCCC3)[C@@H]2C)CC[NH+]1C ZINC001088579536 1359978802 /nfs/dbraw/zinc/97/88/02/1359978802.db2.gz NTAZMKXPELGCGY-BTHPGYMESA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCCCC3)[C@@H]2C)CC[NH+]1C ZINC001088579536 1359978807 /nfs/dbraw/zinc/97/88/07/1359978807.db2.gz NTAZMKXPELGCGY-BTHPGYMESA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1CC1=CCCCC1 ZINC001088748476 1360028999 /nfs/dbraw/zinc/02/89/99/1360028999.db2.gz GYRVMFQUSKVRPB-BEFAXECRSA-N 2 1 338.455 3.027 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@@H+]1CC1=CCCCC1 ZINC001088822914 1360064034 /nfs/dbraw/zinc/06/40/34/1360064034.db2.gz NGHYAWBNXFRYDW-QAPCUYQASA-N 2 1 345.487 3.034 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@H+]1CC1=CCCCC1 ZINC001088822914 1360064036 /nfs/dbraw/zinc/06/40/36/1360064036.db2.gz NGHYAWBNXFRYDW-QAPCUYQASA-N 2 1 345.487 3.034 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccsc2)[C@@H]1C ZINC001088898841 1360098540 /nfs/dbraw/zinc/09/85/40/1360098540.db2.gz YKJWVVRBTYUDPG-BPQIPLTHSA-N 2 1 349.544 3.090 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccsc2)[C@@H]1C ZINC001088898841 1360098544 /nfs/dbraw/zinc/09/85/44/1360098544.db2.gz YKJWVVRBTYUDPG-BPQIPLTHSA-N 2 1 349.544 3.090 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)[C@@H]1C ZINC001088898841 1360098549 /nfs/dbraw/zinc/09/85/49/1360098549.db2.gz YKJWVVRBTYUDPG-BPQIPLTHSA-N 2 1 349.544 3.090 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CCC3)[C@@H]2C)o1 ZINC001089070781 1360159904 /nfs/dbraw/zinc/15/99/04/1360159904.db2.gz XPBKLMLEVNKFRO-QAPCUYQASA-N 2 1 347.503 3.114 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1)C1CCC1 ZINC001089186624 1360236927 /nfs/dbraw/zinc/23/69/27/1360236927.db2.gz JXYMMRCQSHHBSJ-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001089186624 1360236931 /nfs/dbraw/zinc/23/69/31/1360236931.db2.gz JXYMMRCQSHHBSJ-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001089186624 1360236935 /nfs/dbraw/zinc/23/69/35/1360236935.db2.gz JXYMMRCQSHHBSJ-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001089252022 1360283566 /nfs/dbraw/zinc/28/35/66/1360283566.db2.gz IYRRBIXNGWLWDI-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001089252022 1360283567 /nfs/dbraw/zinc/28/35/67/1360283567.db2.gz IYRRBIXNGWLWDI-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001089252022 1360283568 /nfs/dbraw/zinc/28/35/68/1360283568.db2.gz IYRRBIXNGWLWDI-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089381819 1360384498 /nfs/dbraw/zinc/38/44/98/1360384498.db2.gz OQYFEPHJKQUMIW-RTBURBONSA-N 2 1 349.563 3.432 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089381819 1360384500 /nfs/dbraw/zinc/38/45/00/1360384500.db2.gz OQYFEPHJKQUMIW-RTBURBONSA-N 2 1 349.563 3.432 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089381819 1360384503 /nfs/dbraw/zinc/38/45/03/1360384503.db2.gz OQYFEPHJKQUMIW-RTBURBONSA-N 2 1 349.563 3.432 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383399 1360385332 /nfs/dbraw/zinc/38/53/32/1360385332.db2.gz YCFANCNTTFZFBA-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089383399 1360385336 /nfs/dbraw/zinc/38/53/36/1360385336.db2.gz YCFANCNTTFZFBA-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089383399 1360385339 /nfs/dbraw/zinc/38/53/39/1360385339.db2.gz YCFANCNTTFZFBA-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](C(C)C)CC(C)(C)C1 ZINC001089405768 1360404261 /nfs/dbraw/zinc/40/42/61/1360404261.db2.gz DULYYXHKRWICDU-ROUUACIJSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](C(C)C)CC(C)(C)C1 ZINC001089405768 1360404264 /nfs/dbraw/zinc/40/42/64/1360404264.db2.gz DULYYXHKRWICDU-ROUUACIJSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](C(C)C)CC(C)(C)C1 ZINC001089405768 1360404267 /nfs/dbraw/zinc/40/42/67/1360404267.db2.gz DULYYXHKRWICDU-ROUUACIJSA-N 2 1 337.552 3.265 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)CC(C)(C)C1 ZINC001089420125 1360414256 /nfs/dbraw/zinc/41/42/56/1360414256.db2.gz JXGNUJPHKQXMCE-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)CC(C)(C)C1 ZINC001089420125 1360414260 /nfs/dbraw/zinc/41/42/60/1360414260.db2.gz JXGNUJPHKQXMCE-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)CC(C)(C)C1 ZINC001089420125 1360414261 /nfs/dbraw/zinc/41/42/61/1360414261.db2.gz JXGNUJPHKQXMCE-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430818 1360422922 /nfs/dbraw/zinc/42/29/22/1360422922.db2.gz USZVNINWWSEDHR-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089504012 1360477192 /nfs/dbraw/zinc/47/71/92/1360477192.db2.gz XEAOPIZUFQIFBN-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089504012 1360477193 /nfs/dbraw/zinc/47/71/93/1360477193.db2.gz XEAOPIZUFQIFBN-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC3=CCCCC3)CC(C)(C)C2)C1 ZINC001089558236 1360507402 /nfs/dbraw/zinc/50/74/02/1360507402.db2.gz GBPJNCVUDJYRPP-OALUTQOASA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC3=CCCCC3)CC(C)(C)C2)C1 ZINC001089558236 1360507405 /nfs/dbraw/zinc/50/74/05/1360507405.db2.gz GBPJNCVUDJYRPP-OALUTQOASA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC3=CCCCC3)CC(C)(C)C2)C1 ZINC001089558236 1360507407 /nfs/dbraw/zinc/50/74/07/1360507407.db2.gz GBPJNCVUDJYRPP-OALUTQOASA-N 2 1 347.547 3.045 20 0 EGADMP CC1(C)C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+](CC2=CCCCC2)C1 ZINC001089562559 1360509792 /nfs/dbraw/zinc/50/97/92/1360509792.db2.gz HTEDUPJHSJTVCR-LJQANCHMSA-N 2 1 347.547 3.189 20 0 EGADMP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089650215 1360563726 /nfs/dbraw/zinc/56/37/26/1360563726.db2.gz WHMKNPCIJGZTFA-SJORKVTESA-N 2 1 346.519 3.167 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089650215 1360563729 /nfs/dbraw/zinc/56/37/29/1360563729.db2.gz WHMKNPCIJGZTFA-SJORKVTESA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664184 1360574024 /nfs/dbraw/zinc/57/40/24/1360574024.db2.gz DTYVJGIKMSTPFV-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089663987 1360574471 /nfs/dbraw/zinc/57/44/71/1360574471.db2.gz BSXUDVZDPPUQEC-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001089670780 1360580862 /nfs/dbraw/zinc/58/08/62/1360580862.db2.gz ILFSGBAAFUJWTQ-GOSISDBHSA-N 2 1 342.487 3.211 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CCCCC2)C1 ZINC001089732099 1360635650 /nfs/dbraw/zinc/63/56/50/1360635650.db2.gz MCHZOYGUYIUGJU-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC2CCCCC2)C1 ZINC001089732099 1360635652 /nfs/dbraw/zinc/63/56/52/1360635652.db2.gz MCHZOYGUYIUGJU-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC2CCCCC2)C1 ZINC001089732099 1360635655 /nfs/dbraw/zinc/63/56/55/1360635655.db2.gz MCHZOYGUYIUGJU-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(NCC1CC([NH2+]CC2CCC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001091199618 1361004985 /nfs/dbraw/zinc/00/49/85/1361004985.db2.gz SLYZUPKBDREZMT-AFMYVXGZSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001091267472 1361027238 /nfs/dbraw/zinc/02/72/38/1361027238.db2.gz MKYPIDAXQDDJBY-SOAGJPPSSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804642 1361224841 /nfs/dbraw/zinc/22/48/41/1361224841.db2.gz PELHIIZVMJXNPV-UTKZUKDTSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804642 1361224845 /nfs/dbraw/zinc/22/48/45/1361224845.db2.gz PELHIIZVMJXNPV-UTKZUKDTSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804642 1361224847 /nfs/dbraw/zinc/22/48/47/1361224847.db2.gz PELHIIZVMJXNPV-UTKZUKDTSA-N 2 1 349.563 3.076 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001323990375 1387505260 /nfs/dbraw/zinc/50/52/60/1387505260.db2.gz IAPUMJVPWMNXOI-KFKAGJAMSA-N 2 1 331.504 3.429 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC2CC2)C[C@H]1C ZINC001093120332 1361533083 /nfs/dbraw/zinc/53/30/83/1361533083.db2.gz GTHZVEMTPMWNGR-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001093120332 1361533090 /nfs/dbraw/zinc/53/30/90/1361533090.db2.gz GTHZVEMTPMWNGR-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001093120332 1361533097 /nfs/dbraw/zinc/53/30/97/1361533097.db2.gz GTHZVEMTPMWNGR-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001095498764 1362157266 /nfs/dbraw/zinc/15/72/66/1362157266.db2.gz CZXAVPZZNPBJCL-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001095498764 1362157268 /nfs/dbraw/zinc/15/72/68/1362157268.db2.gz CZXAVPZZNPBJCL-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001095498764 1362157269 /nfs/dbraw/zinc/15/72/69/1362157269.db2.gz CZXAVPZZNPBJCL-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001095498700 1362157628 /nfs/dbraw/zinc/15/76/28/1362157628.db2.gz BBFSLVHCNFEWDQ-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001095498700 1362157629 /nfs/dbraw/zinc/15/76/29/1362157629.db2.gz BBFSLVHCNFEWDQ-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001095498700 1362157632 /nfs/dbraw/zinc/15/76/32/1362157632.db2.gz BBFSLVHCNFEWDQ-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001095662827 1362198194 /nfs/dbraw/zinc/19/81/94/1362198194.db2.gz VEVRRVGBXXHELG-MDUILUSMSA-N 2 1 340.471 3.024 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCCC2)C1 ZINC001096015859 1362335654 /nfs/dbraw/zinc/33/56/54/1362335654.db2.gz SWBUQJPEWXLBCQ-RNQOJCNYSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCCC2)C1 ZINC001096015859 1362335656 /nfs/dbraw/zinc/33/56/56/1362335656.db2.gz SWBUQJPEWXLBCQ-RNQOJCNYSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCCC2)C1 ZINC001096015859 1362335661 /nfs/dbraw/zinc/33/56/61/1362335661.db2.gz SWBUQJPEWXLBCQ-RNQOJCNYSA-N 2 1 347.547 3.020 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCC2)C1 ZINC001096348437 1362469897 /nfs/dbraw/zinc/46/98/97/1362469897.db2.gz OQWHNKADJMJCKY-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCCC2)C1 ZINC001096348437 1362469900 /nfs/dbraw/zinc/46/99/00/1362469900.db2.gz OQWHNKADJMJCKY-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCCC2)C1 ZINC001096348437 1362469902 /nfs/dbraw/zinc/46/99/02/1362469902.db2.gz OQWHNKADJMJCKY-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)(C)CC1 ZINC001096887523 1362767656 /nfs/dbraw/zinc/76/76/56/1362767656.db2.gz MDTHHBZYAIURLA-YRXWBPOGSA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC(C)(C)CC1 ZINC001096887523 1362767659 /nfs/dbraw/zinc/76/76/59/1362767659.db2.gz MDTHHBZYAIURLA-YRXWBPOGSA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC(C)(C)CC1 ZINC001096887523 1362767662 /nfs/dbraw/zinc/76/76/62/1362767662.db2.gz MDTHHBZYAIURLA-YRXWBPOGSA-N 2 1 347.547 3.019 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCCC1 ZINC001096887154 1362767742 /nfs/dbraw/zinc/76/77/42/1362767742.db2.gz AYMKGWBAUBNEOV-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCCC1 ZINC001096887154 1362767743 /nfs/dbraw/zinc/76/77/43/1362767743.db2.gz AYMKGWBAUBNEOV-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCCC1 ZINC001096887154 1362767746 /nfs/dbraw/zinc/76/77/46/1362767746.db2.gz AYMKGWBAUBNEOV-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097705567 1363105566 /nfs/dbraw/zinc/10/55/66/1363105566.db2.gz QWPYMNQZSDQTSI-YSTOQKLRSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001097705567 1363105569 /nfs/dbraw/zinc/10/55/69/1363105569.db2.gz QWPYMNQZSDQTSI-YSTOQKLRSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001097705567 1363105571 /nfs/dbraw/zinc/10/55/71/1363105571.db2.gz QWPYMNQZSDQTSI-YSTOQKLRSA-N 2 1 347.547 3.161 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001097971855 1363184469 /nfs/dbraw/zinc/18/44/69/1363184469.db2.gz JVVZCTJQMGUXRQ-AFYVEPGGSA-N 2 1 349.563 3.409 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001185089628 1387616535 /nfs/dbraw/zinc/61/65/35/1387616535.db2.gz BOVJTKXAUVFUCP-OXUXSNCKSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001185090880 1387616733 /nfs/dbraw/zinc/61/67/33/1387616733.db2.gz PVUDEHGPFPZXLC-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C(C)(C)C ZINC001324438740 1387623616 /nfs/dbraw/zinc/62/36/16/1387623616.db2.gz SSGFUYCVLFVNBZ-UHFFFAOYSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1)C1CCCC1 ZINC001098822024 1363482849 /nfs/dbraw/zinc/48/28/49/1363482849.db2.gz VUTXNWVEGJSLCH-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001098914123 1363518001 /nfs/dbraw/zinc/51/80/01/1363518001.db2.gz MODFCEXLFNCEAN-JXFKEZNVSA-N 2 1 340.471 3.027 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001099153725 1363659606 /nfs/dbraw/zinc/65/96/06/1363659606.db2.gz OXPRKACEEXLDRE-MOPGFXCFSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(C)C)[NH+](CC)CC ZINC001099230978 1363704763 /nfs/dbraw/zinc/70/47/63/1363704763.db2.gz ZMLKTMBGHPHZCI-MSOLQXFVSA-N 2 1 339.568 3.370 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1=CCCCC1)[NH+](C)C ZINC001099240504 1363709155 /nfs/dbraw/zinc/70/91/55/1363709155.db2.gz RVPTWUPQICFVRA-OALUTQOASA-N 2 1 349.563 3.434 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099241328 1363710072 /nfs/dbraw/zinc/71/00/72/1363710072.db2.gz YQZAQLOVGDCQEU-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001099241328 1363710074 /nfs/dbraw/zinc/71/00/74/1363710074.db2.gz YQZAQLOVGDCQEU-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001099241328 1363710075 /nfs/dbraw/zinc/71/00/75/1363710075.db2.gz YQZAQLOVGDCQEU-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[N@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCF ZINC001099270268 1363725640 /nfs/dbraw/zinc/72/56/40/1363725640.db2.gz KFTXJIUKMDRLBZ-KRWDZBQOSA-N 2 1 343.531 3.075 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCF ZINC001099270268 1363725642 /nfs/dbraw/zinc/72/56/42/1363725642.db2.gz KFTXJIUKMDRLBZ-KRWDZBQOSA-N 2 1 343.531 3.075 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCF ZINC001099270268 1363725646 /nfs/dbraw/zinc/72/56/46/1363725646.db2.gz KFTXJIUKMDRLBZ-KRWDZBQOSA-N 2 1 343.531 3.075 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCF ZINC001099270268 1363725649 /nfs/dbraw/zinc/72/56/49/1363725649.db2.gz KFTXJIUKMDRLBZ-KRWDZBQOSA-N 2 1 343.531 3.075 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](CC)CC ZINC001099276411 1363728179 /nfs/dbraw/zinc/72/81/79/1363728179.db2.gz SIAGKLLMAAFSSD-HJCTWCACSA-N 2 1 337.552 3.291 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC2CCC2)CC1 ZINC001099280346 1363729644 /nfs/dbraw/zinc/72/96/44/1363729644.db2.gz FUMVBPHXWVXOBQ-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001099334717 1363755999 /nfs/dbraw/zinc/75/59/99/1363755999.db2.gz MDDRRJSXCMNSGZ-YZPMEYCISA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001099334717 1363756002 /nfs/dbraw/zinc/75/60/02/1363756002.db2.gz MDDRRJSXCMNSGZ-YZPMEYCISA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001099334717 1363756005 /nfs/dbraw/zinc/75/60/05/1363756005.db2.gz MDDRRJSXCMNSGZ-YZPMEYCISA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339995 1363759356 /nfs/dbraw/zinc/75/93/56/1363759356.db2.gz NHTFNFRFPGMOPA-OVKVCFKUSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099355321 1363769297 /nfs/dbraw/zinc/76/92/97/1363769297.db2.gz ZKVXRVPHGREMQI-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001099355321 1363769299 /nfs/dbraw/zinc/76/92/99/1363769299.db2.gz ZKVXRVPHGREMQI-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001099355321 1363769301 /nfs/dbraw/zinc/76/93/01/1363769301.db2.gz ZKVXRVPHGREMQI-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001099364354 1363774740 /nfs/dbraw/zinc/77/47/40/1363774740.db2.gz JOPKQDDFIPPBST-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001099364354 1363774741 /nfs/dbraw/zinc/77/47/41/1363774741.db2.gz JOPKQDDFIPPBST-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001099364354 1363774744 /nfs/dbraw/zinc/77/47/44/1363774744.db2.gz JOPKQDDFIPPBST-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001099364354 1363774746 /nfs/dbraw/zinc/77/47/46/1363774746.db2.gz JOPKQDDFIPPBST-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001100403806 1364103441 /nfs/dbraw/zinc/10/34/41/1364103441.db2.gz ZCQFMVKGCNFYSH-XBMUEBEBSA-N 2 1 337.552 3.029 20 0 EGADMP CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001100403805 1364103609 /nfs/dbraw/zinc/10/36/09/1364103609.db2.gz ZCQFMVKGCNFYSH-JLAWEPINSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001100405748 1364104177 /nfs/dbraw/zinc/10/41/77/1364104177.db2.gz LGZIRLUTTLUOKL-MHJFOBGBSA-N 2 1 349.563 3.314 20 0 EGADMP CC/C=C/CC[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001100468718 1364125829 /nfs/dbraw/zinc/12/58/29/1364125829.db2.gz MCAWJHQLFYOIMZ-VOTSOKGWSA-N 2 1 349.563 3.480 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+]Cc2ccccc2C(C)C)C1 ZINC001100831496 1364282921 /nfs/dbraw/zinc/28/29/21/1364282921.db2.gz YWXHPVAJBREAHA-UHFFFAOYSA-N 2 1 345.531 3.136 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CCC3CC3)C[C@@]2(C)C1 ZINC001101395722 1364544219 /nfs/dbraw/zinc/54/42/19/1364544219.db2.gz KRVJFAPJGVWZPO-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CCC3CC3)C[C@@]2(C)C1 ZINC001101395722 1364544220 /nfs/dbraw/zinc/54/42/20/1364544220.db2.gz KRVJFAPJGVWZPO-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CCC3CC3)C[C@@]2(C)C1 ZINC001101395722 1364544222 /nfs/dbraw/zinc/54/42/22/1364544222.db2.gz KRVJFAPJGVWZPO-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101435231 1364562260 /nfs/dbraw/zinc/56/22/60/1364562260.db2.gz DSRMOSHBNLGFFG-HVXOQWJHSA-N 2 1 349.563 3.245 20 0 EGADMP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001101550409 1364613540 /nfs/dbraw/zinc/61/35/40/1364613540.db2.gz HKACKCCZBISQDY-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001101595663 1364646166 /nfs/dbraw/zinc/64/61/66/1364646166.db2.gz NCLBAXFCUDPRKI-UHFFFAOYSA-N 2 1 348.535 3.236 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001101983823 1364799284 /nfs/dbraw/zinc/79/92/84/1364799284.db2.gz MZUXDFVGQJXNTH-QVZWHDGZSA-N 2 1 349.563 3.147 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H](C)C1 ZINC001101983823 1364799287 /nfs/dbraw/zinc/79/92/87/1364799287.db2.gz MZUXDFVGQJXNTH-QVZWHDGZSA-N 2 1 349.563 3.147 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](C)C1 ZINC001101983823 1364799289 /nfs/dbraw/zinc/79/92/89/1364799289.db2.gz MZUXDFVGQJXNTH-QVZWHDGZSA-N 2 1 349.563 3.147 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001185444830 1387718041 /nfs/dbraw/zinc/71/80/41/1387718041.db2.gz CASOTQDNIIPYBZ-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C2)c1 ZINC001102601176 1365131456 /nfs/dbraw/zinc/13/14/56/1365131456.db2.gz PHFIQHOSQKLYLU-WSTZPKSXSA-N 2 1 345.531 3.080 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+]2C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C2)c1 ZINC001102601176 1365131458 /nfs/dbraw/zinc/13/14/58/1365131458.db2.gz PHFIQHOSQKLYLU-WSTZPKSXSA-N 2 1 345.531 3.080 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C2)c1 ZINC001102601176 1365131460 /nfs/dbraw/zinc/13/14/60/1365131460.db2.gz PHFIQHOSQKLYLU-WSTZPKSXSA-N 2 1 345.531 3.080 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001102600070 1365131890 /nfs/dbraw/zinc/13/18/90/1365131890.db2.gz KPEHHRRFLSUEQP-ODWICZQRSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC001102600070 1365131894 /nfs/dbraw/zinc/13/18/94/1365131894.db2.gz KPEHHRRFLSUEQP-ODWICZQRSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)[C@H](C)C1 ZINC001102600070 1365131896 /nfs/dbraw/zinc/13/18/96/1365131896.db2.gz KPEHHRRFLSUEQP-ODWICZQRSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001102977402 1365324954 /nfs/dbraw/zinc/32/49/54/1365324954.db2.gz ZJLLJWBFCNZEOL-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001102977402 1365324956 /nfs/dbraw/zinc/32/49/56/1365324956.db2.gz ZJLLJWBFCNZEOL-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001102977402 1365324959 /nfs/dbraw/zinc/32/49/59/1365324959.db2.gz ZJLLJWBFCNZEOL-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001103550619 1365629147 /nfs/dbraw/zinc/62/91/47/1365629147.db2.gz ZCEZBTRWNWFLNU-GUDVDZBRSA-N 2 1 339.568 3.085 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103570977 1365645040 /nfs/dbraw/zinc/64/50/40/1365645040.db2.gz OSXPIJRMPSAQGH-BGEOSOQGSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CC2)C1 ZINC001104291600 1365977929 /nfs/dbraw/zinc/97/79/29/1365977929.db2.gz PNMFYQXXEOGKGX-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]CCCC1CCC1 ZINC001104354937 1365983554 /nfs/dbraw/zinc/98/35/54/1365983554.db2.gz HBRKIOASVRWSAM-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104378783 1365995288 /nfs/dbraw/zinc/99/52/88/1365995288.db2.gz GPAXZUNWVAYNTR-VAMGGRTRSA-N 2 1 349.563 3.147 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC([C@@H]2[N@@H+](CC(C)C)CC23CCC3)CC1 ZINC001105396734 1366445332 /nfs/dbraw/zinc/44/53/32/1366445332.db2.gz UKECQSOXZZILDW-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105518019 1366505539 /nfs/dbraw/zinc/50/55/39/1366505539.db2.gz PBBOXRFRNAAFTJ-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CCCC2)[C@H](C)C1 ZINC001106120065 1366612649 /nfs/dbraw/zinc/61/26/49/1366612649.db2.gz NOUYQFXFRSMYBL-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001106210740 1366624482 /nfs/dbraw/zinc/62/44/82/1366624482.db2.gz CDHYTKYDNAWFGO-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCC2CCC2)[C@H](C)C1 ZINC001106210725 1366624534 /nfs/dbraw/zinc/62/45/34/1366624534.db2.gz BPCTZZQWGMUEAQ-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CCCC1CCCC1 ZINC001106254888 1366634845 /nfs/dbraw/zinc/63/48/45/1366634845.db2.gz AOJBVBIMDXVLCK-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106271620 1366640098 /nfs/dbraw/zinc/64/00/98/1366640098.db2.gz IYICACSECOOCSE-AHSYYPKJSA-N 2 1 349.563 3.291 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(C)C)[C@H](C)C1)c1ccccc1 ZINC001106868119 1366820501 /nfs/dbraw/zinc/82/05/01/1366820501.db2.gz AUNGBYQYOBHXAK-RLLQIKCJSA-N 2 1 345.531 3.020 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438637 1366963885 /nfs/dbraw/zinc/96/38/85/1366963885.db2.gz FSSZAYGDZIENHV-TZIWHRDSSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438637 1366963890 /nfs/dbraw/zinc/96/38/90/1366963890.db2.gz FSSZAYGDZIENHV-TZIWHRDSSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438637 1366963893 /nfs/dbraw/zinc/96/38/93/1366963893.db2.gz FSSZAYGDZIENHV-TZIWHRDSSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107450852 1366968702 /nfs/dbraw/zinc/96/87/02/1366968702.db2.gz OGVQGLJLVDCOQM-NLWGTHIKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001107450852 1366968703 /nfs/dbraw/zinc/96/87/03/1366968703.db2.gz OGVQGLJLVDCOQM-NLWGTHIKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001107450852 1366968704 /nfs/dbraw/zinc/96/87/04/1366968704.db2.gz OGVQGLJLVDCOQM-NLWGTHIKSA-N 2 1 335.536 3.022 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546463 1367037719 /nfs/dbraw/zinc/03/77/19/1367037719.db2.gz DHVOJGADTJMQBZ-LGVOAYDWSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546463 1367037726 /nfs/dbraw/zinc/03/77/26/1367037726.db2.gz DHVOJGADTJMQBZ-LGVOAYDWSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546463 1367037731 /nfs/dbraw/zinc/03/77/31/1367037731.db2.gz DHVOJGADTJMQBZ-LGVOAYDWSA-N 2 1 347.547 3.188 20 0 EGADMP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001109308089 1367048077 /nfs/dbraw/zinc/04/80/77/1367048077.db2.gz OQDLLRFGHSFOLM-BDXSIMOUSA-N 2 1 346.519 3.308 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001109308089 1367048081 /nfs/dbraw/zinc/04/80/81/1367048081.db2.gz OQDLLRFGHSFOLM-BDXSIMOUSA-N 2 1 346.519 3.308 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107635661 1367086446 /nfs/dbraw/zinc/08/64/46/1367086446.db2.gz WSNJHNBWHQBTTJ-TZIWHRDSSA-N 2 1 349.563 3.413 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001109371391 1367091592 /nfs/dbraw/zinc/09/15/92/1367091592.db2.gz BGFZIEBSKOJVBL-ILENRSAMSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001109371391 1367091603 /nfs/dbraw/zinc/09/16/03/1367091603.db2.gz BGFZIEBSKOJVBL-ILENRSAMSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001109371391 1367091609 /nfs/dbraw/zinc/09/16/09/1367091609.db2.gz BGFZIEBSKOJVBL-ILENRSAMSA-N 2 1 347.547 3.329 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21 ZINC001189870999 1367121732 /nfs/dbraw/zinc/12/17/32/1367121732.db2.gz GZFLRMJNYDLCIU-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109449029 1367127921 /nfs/dbraw/zinc/12/79/21/1367127921.db2.gz BFMREAUOYHLBDP-OWSLCNJRSA-N 2 1 335.536 3.019 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109449029 1367127925 /nfs/dbraw/zinc/12/79/25/1367127925.db2.gz BFMREAUOYHLBDP-OWSLCNJRSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001109449029 1367127928 /nfs/dbraw/zinc/12/79/28/1367127928.db2.gz BFMREAUOYHLBDP-OWSLCNJRSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001109449029 1367127931 /nfs/dbraw/zinc/12/79/31/1367127931.db2.gz BFMREAUOYHLBDP-OWSLCNJRSA-N 2 1 335.536 3.019 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485147 1367152660 /nfs/dbraw/zinc/15/26/60/1367152660.db2.gz MTAWPKJSNTYACR-LRNBNCDBSA-N 2 1 345.531 3.083 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560481 1367198506 /nfs/dbraw/zinc/19/85/06/1367198506.db2.gz BZSDWGJTXDOJCR-QYZOEREBSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001190246936 1367208923 /nfs/dbraw/zinc/20/89/23/1367208923.db2.gz HWFDHUOVAQBDTH-SJORKVTESA-N 2 1 334.508 3.120 20 0 EGADMP CCCCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190246936 1367208928 /nfs/dbraw/zinc/20/89/28/1367208928.db2.gz HWFDHUOVAQBDTH-SJORKVTESA-N 2 1 334.508 3.120 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190246936 1367208933 /nfs/dbraw/zinc/20/89/33/1367208933.db2.gz HWFDHUOVAQBDTH-SJORKVTESA-N 2 1 334.508 3.120 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109589852 1367215524 /nfs/dbraw/zinc/21/55/24/1367215524.db2.gz GVCJDYPOUCPJHP-RDGPPVDQSA-N 2 1 349.563 3.265 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001190317134 1367225164 /nfs/dbraw/zinc/22/51/64/1367225164.db2.gz CXPSROOPFFOCHN-VQTJNVASSA-N 2 1 343.515 3.085 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190325094 1367226802 /nfs/dbraw/zinc/22/68/02/1367226802.db2.gz QNDXAVQQAOVWLB-INPAECQJSA-N 2 1 347.547 3.142 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@]1(C)CCC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC001324974973 1387864759 /nfs/dbraw/zinc/86/47/59/1387864759.db2.gz DEEUBJVSFQVJEZ-PXNSSMCTSA-N 2 1 348.535 3.092 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@]1(C)CCC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001324974973 1387864763 /nfs/dbraw/zinc/86/47/63/1387864763.db2.gz DEEUBJVSFQVJEZ-PXNSSMCTSA-N 2 1 348.535 3.092 20 0 EGADMP C[N@@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190743585 1367340323 /nfs/dbraw/zinc/34/03/23/1367340323.db2.gz LUWFPPYOFIUOSJ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001190743585 1367340328 /nfs/dbraw/zinc/34/03/28/1367340328.db2.gz LUWFPPYOFIUOSJ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001190743585 1367340333 /nfs/dbraw/zinc/34/03/33/1367340333.db2.gz LUWFPPYOFIUOSJ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860230 1367363852 /nfs/dbraw/zinc/36/38/52/1367363852.db2.gz RDDVVULRSWWCEH-ZSGOLBCISA-N 2 1 349.563 3.431 20 0 EGADMP CC[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191061539 1367413314 /nfs/dbraw/zinc/41/33/14/1367413314.db2.gz LRQVCKHNDCJLNN-FUHWJXTLSA-N 2 1 337.552 3.218 20 0 EGADMP CC[C@H](C)C[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001191061539 1367413318 /nfs/dbraw/zinc/41/33/18/1367413318.db2.gz LRQVCKHNDCJLNN-FUHWJXTLSA-N 2 1 337.552 3.218 20 0 EGADMP CC[C@H](C)C[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001191061539 1367413323 /nfs/dbraw/zinc/41/33/23/1367413323.db2.gz LRQVCKHNDCJLNN-FUHWJXTLSA-N 2 1 337.552 3.218 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191061538 1367413453 /nfs/dbraw/zinc/41/34/53/1367413453.db2.gz LRQVCKHNDCJLNN-AEFFLSMTSA-N 2 1 337.552 3.218 20 0 EGADMP CC[C@@H](C)C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001191061538 1367413456 /nfs/dbraw/zinc/41/34/56/1367413456.db2.gz LRQVCKHNDCJLNN-AEFFLSMTSA-N 2 1 337.552 3.218 20 0 EGADMP CC[C@@H](C)C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001191061538 1367413459 /nfs/dbraw/zinc/41/34/59/1367413459.db2.gz LRQVCKHNDCJLNN-AEFFLSMTSA-N 2 1 337.552 3.218 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001108765806 1367581238 /nfs/dbraw/zinc/58/12/38/1367581238.db2.gz SYFWTTDMVHRZBX-CMZLPQLFSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CCC)C2 ZINC001108804025 1367605936 /nfs/dbraw/zinc/60/59/36/1367605936.db2.gz JBAGBERUWXLRFN-PMEOWRCESA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946862 1367646775 /nfs/dbraw/zinc/64/67/75/1367646775.db2.gz FSTLPHCVKKKLGT-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191946862 1367646780 /nfs/dbraw/zinc/64/67/80/1367646780.db2.gz FSTLPHCVKKKLGT-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191946862 1367646784 /nfs/dbraw/zinc/64/67/84/1367646784.db2.gz FSTLPHCVKKKLGT-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCC2CCCC2)C1)[NH+](CC)CC ZINC001192325575 1367752085 /nfs/dbraw/zinc/75/20/85/1367752085.db2.gz LWSADZSFERGBSK-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192398339 1367773155 /nfs/dbraw/zinc/77/31/55/1367773155.db2.gz ORDDEOORXRYXPI-QZEKMECESA-N 2 1 337.552 3.243 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192398339 1367773159 /nfs/dbraw/zinc/77/31/59/1367773159.db2.gz ORDDEOORXRYXPI-QZEKMECESA-N 2 1 337.552 3.243 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192398339 1367773163 /nfs/dbraw/zinc/77/31/63/1367773163.db2.gz ORDDEOORXRYXPI-QZEKMECESA-N 2 1 337.552 3.243 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCC2)C1 ZINC001192671599 1367845854 /nfs/dbraw/zinc/84/58/54/1367845854.db2.gz OEJKIQLPHBQAFO-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1 ZINC001192671599 1367845858 /nfs/dbraw/zinc/84/58/58/1367845858.db2.gz OEJKIQLPHBQAFO-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001192671599 1367845866 /nfs/dbraw/zinc/84/58/66/1367845866.db2.gz OEJKIQLPHBQAFO-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC2(CC2)CC1)[NH+](C)C ZINC001110711970 1367942163 /nfs/dbraw/zinc/94/21/63/1367942163.db2.gz XRIWTWSSOQBWTM-MKXGPGLRSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110809238 1368003664 /nfs/dbraw/zinc/00/36/64/1368003664.db2.gz YXSFPQAMMLEIRM-QRQLOZEOSA-N 2 1 340.471 3.106 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383024 1368015987 /nfs/dbraw/zinc/01/59/87/1368015987.db2.gz NZKYNQAYAFLMKN-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)C1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001193438463 1368030355 /nfs/dbraw/zinc/03/03/55/1368030355.db2.gz VLPSSYITADMOTB-OAQYLSRUSA-N 2 1 330.516 3.382 20 0 EGADMP CC(C)(C)C1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001193438463 1368030358 /nfs/dbraw/zinc/03/03/58/1368030358.db2.gz VLPSSYITADMOTB-OAQYLSRUSA-N 2 1 330.516 3.382 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CCC2CCCCC2)C1 ZINC001193600965 1368071049 /nfs/dbraw/zinc/07/10/49/1368071049.db2.gz PJCZXTGBCSYSJZ-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CCC2CCCCC2)C1 ZINC001193600965 1368071056 /nfs/dbraw/zinc/07/10/56/1368071056.db2.gz PJCZXTGBCSYSJZ-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC001193600965 1368071061 /nfs/dbraw/zinc/07/10/61/1368071061.db2.gz PJCZXTGBCSYSJZ-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001111098642 1368157989 /nfs/dbraw/zinc/15/79/89/1368157989.db2.gz JDLFKNLBJRRMIZ-CFXMGXPISA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001111098642 1368157997 /nfs/dbraw/zinc/15/79/97/1368157997.db2.gz JDLFKNLBJRRMIZ-CFXMGXPISA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001111098642 1368157999 /nfs/dbraw/zinc/15/79/99/1368157999.db2.gz JDLFKNLBJRRMIZ-CFXMGXPISA-N 2 1 347.547 3.327 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001111099149 1368158691 /nfs/dbraw/zinc/15/86/91/1368158691.db2.gz SBHCMLFPGQDSQQ-AKHDSKFASA-N 2 1 335.536 3.161 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001111099149 1368158695 /nfs/dbraw/zinc/15/86/95/1368158695.db2.gz SBHCMLFPGQDSQQ-AKHDSKFASA-N 2 1 335.536 3.161 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001111099149 1368158699 /nfs/dbraw/zinc/15/86/99/1368158699.db2.gz SBHCMLFPGQDSQQ-AKHDSKFASA-N 2 1 335.536 3.161 20 0 EGADMP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001111102484 1368159786 /nfs/dbraw/zinc/15/97/86/1368159786.db2.gz GANOGASUBMASSU-KURKYZTESA-N 2 1 346.519 3.164 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001111102484 1368159789 /nfs/dbraw/zinc/15/97/89/1368159789.db2.gz GANOGASUBMASSU-KURKYZTESA-N 2 1 346.519 3.164 20 0 EGADMP C[N@@H+](CCC1CCCCC1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194227305 1368212714 /nfs/dbraw/zinc/21/27/14/1368212714.db2.gz JSQJKOVQCCMOHZ-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCCC2)C1 ZINC001194266254 1368219287 /nfs/dbraw/zinc/21/92/87/1368219287.db2.gz MWZCEZCFGRTBSB-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001194266254 1368219289 /nfs/dbraw/zinc/21/92/89/1368219289.db2.gz MWZCEZCFGRTBSB-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001194266254 1368219294 /nfs/dbraw/zinc/21/92/94/1368219294.db2.gz MWZCEZCFGRTBSB-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001111465417 1368310778 /nfs/dbraw/zinc/31/07/78/1368310778.db2.gz UKQVQUPLQXIACA-PUROVWCESA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001111465417 1368310785 /nfs/dbraw/zinc/31/07/85/1368310785.db2.gz UKQVQUPLQXIACA-PUROVWCESA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001111465417 1368310792 /nfs/dbraw/zinc/31/07/92/1368310792.db2.gz UKQVQUPLQXIACA-PUROVWCESA-N 2 1 347.547 3.329 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111467764 1368312802 /nfs/dbraw/zinc/31/28/02/1368312802.db2.gz VAQTWMOHZCSMGV-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111498510 1368321423 /nfs/dbraw/zinc/32/14/23/1368321423.db2.gz ZWZLODBLNMLNBC-QRVBRYPASA-N 2 1 335.536 3.164 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001111778617 1368457285 /nfs/dbraw/zinc/45/72/85/1368457285.db2.gz GQPJBJXBZKWDMM-WMDOEDGGSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001111778617 1368457290 /nfs/dbraw/zinc/45/72/90/1368457290.db2.gz GQPJBJXBZKWDMM-WMDOEDGGSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001195853091 1368503669 /nfs/dbraw/zinc/50/36/69/1368503669.db2.gz GSBPWNRKACDPIH-UNQUKWGNSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001195853091 1368503674 /nfs/dbraw/zinc/50/36/74/1368503674.db2.gz GSBPWNRKACDPIH-UNQUKWGNSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001195853091 1368503677 /nfs/dbraw/zinc/50/36/77/1368503677.db2.gz GSBPWNRKACDPIH-UNQUKWGNSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196155663 1368558575 /nfs/dbraw/zinc/55/85/75/1368558575.db2.gz QFLLPOASEUTJBY-ROUKRRSUSA-N 2 1 349.563 3.245 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001196155663 1368558581 /nfs/dbraw/zinc/55/85/81/1368558581.db2.gz QFLLPOASEUTJBY-ROUKRRSUSA-N 2 1 349.563 3.245 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001196155663 1368558585 /nfs/dbraw/zinc/55/85/85/1368558585.db2.gz QFLLPOASEUTJBY-ROUKRRSUSA-N 2 1 349.563 3.245 20 0 EGADMP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163258 1368560021 /nfs/dbraw/zinc/56/00/21/1368560021.db2.gz KZIXWGRTRMSCGB-XDXAGZTOSA-N 2 1 344.503 3.041 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163258 1368560027 /nfs/dbraw/zinc/56/00/27/1368560027.db2.gz KZIXWGRTRMSCGB-XDXAGZTOSA-N 2 1 344.503 3.041 20 0 EGADMP COC[C@@H]1CCC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001196906657 1368712063 /nfs/dbraw/zinc/71/20/63/1368712063.db2.gz CKAWDUJENOASFZ-NRFANRHFSA-N 2 1 330.516 3.442 20 0 EGADMP COc1cc(C)[nH+]c(CN2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001196935757 1368716321 /nfs/dbraw/zinc/71/63/21/1368716321.db2.gz LOILIGDMWMYVSQ-LJQANCHMSA-N 2 1 331.504 3.485 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC(C)(C)C)C1 ZINC001112284829 1368748291 /nfs/dbraw/zinc/74/82/91/1368748291.db2.gz AQAUIGALFVSIFU-WFXMLNOXSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001197300910 1368783761 /nfs/dbraw/zinc/78/37/61/1368783761.db2.gz WEFICOHQJQTAGS-GOSISDBHSA-N 2 1 348.535 3.223 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001197300910 1368783764 /nfs/dbraw/zinc/78/37/64/1368783764.db2.gz WEFICOHQJQTAGS-GOSISDBHSA-N 2 1 348.535 3.223 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC=C(C)C)C1 ZINC001112382357 1368810772 /nfs/dbraw/zinc/81/07/72/1368810772.db2.gz SZZYESAGYXQDIW-ZVDOUQERSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197485833 1368824268 /nfs/dbraw/zinc/82/42/68/1368824268.db2.gz YIIFZUKGHVOQRF-VJIACCKLSA-N 2 1 337.552 3.243 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001197809516 1368903128 /nfs/dbraw/zinc/90/31/28/1368903128.db2.gz BRPXLAKXQFJGIL-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001198274740 1368995994 /nfs/dbraw/zinc/99/59/94/1368995994.db2.gz PXHLGTKIBXODBB-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[N@H+](CC2CCC(C)(C)CC2)CC1 ZINC001198274740 1368995995 /nfs/dbraw/zinc/99/59/95/1368995995.db2.gz PXHLGTKIBXODBB-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[N@@H+](CC2CCC(C)(C)CC2)CC1 ZINC001198274740 1368995996 /nfs/dbraw/zinc/99/59/96/1368995996.db2.gz PXHLGTKIBXODBB-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[NH+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001113032672 1369153692 /nfs/dbraw/zinc/15/36/92/1369153692.db2.gz AQEGQWWQCAVVAV-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC001113439808 1369429819 /nfs/dbraw/zinc/42/98/19/1369429819.db2.gz VZBUNNRJFZTWNM-UHFFFAOYSA-N 2 1 335.536 3.143 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC001113439808 1369429821 /nfs/dbraw/zinc/42/98/21/1369429821.db2.gz VZBUNNRJFZTWNM-UHFFFAOYSA-N 2 1 335.536 3.143 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(OC(F)F)c1 ZINC001200811529 1369432306 /nfs/dbraw/zinc/43/23/06/1369432306.db2.gz FKURQVYKOSVKRX-KGLIPLIRSA-N 2 1 328.403 3.259 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201043408 1369470543 /nfs/dbraw/zinc/47/05/43/1369470543.db2.gz CXFSWBMPFXWHIP-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001201390135 1369534482 /nfs/dbraw/zinc/53/44/82/1369534482.db2.gz RSYIRTZTPIFTSH-GOSISDBHSA-N 2 1 336.520 3.306 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(OC)c1)CCO2 ZINC001201502037 1369557710 /nfs/dbraw/zinc/55/77/10/1369557710.db2.gz FHKOTTKHNLQWBW-SFHVURJKSA-N 2 1 346.515 3.408 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(OC)c1)CCO2 ZINC001201502037 1369557712 /nfs/dbraw/zinc/55/77/12/1369557712.db2.gz FHKOTTKHNLQWBW-SFHVURJKSA-N 2 1 346.515 3.408 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001201508512 1369560374 /nfs/dbraw/zinc/56/03/74/1369560374.db2.gz GBKZCDVQZNDCKH-GOSISDBHSA-N 2 1 331.504 3.042 20 0 EGADMP c1ccc(CC[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001201604279 1369588507 /nfs/dbraw/zinc/58/85/07/1369588507.db2.gz PSRIXWATFIAYKT-NHCUHLMSSA-N 2 1 328.500 3.052 20 0 EGADMP c1ccc(CC[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001201604279 1369588509 /nfs/dbraw/zinc/58/85/09/1369588509.db2.gz PSRIXWATFIAYKT-NHCUHLMSSA-N 2 1 328.500 3.052 20 0 EGADMP c1ccc(CC[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001201604279 1369588514 /nfs/dbraw/zinc/58/85/14/1369588514.db2.gz PSRIXWATFIAYKT-NHCUHLMSSA-N 2 1 328.500 3.052 20 0 EGADMP c1ccc(CC[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001201604279 1369588516 /nfs/dbraw/zinc/58/85/16/1369588516.db2.gz PSRIXWATFIAYKT-NHCUHLMSSA-N 2 1 328.500 3.052 20 0 EGADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](CCC(C)C)CC3)C2)c1 ZINC001201618380 1369591176 /nfs/dbraw/zinc/59/11/76/1369591176.db2.gz VJHNPEZAJDXLNP-UHFFFAOYSA-N 2 1 346.515 3.408 20 0 EGADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](CCC(C)C)CC3)C2)c1 ZINC001201618380 1369591180 /nfs/dbraw/zinc/59/11/80/1369591180.db2.gz VJHNPEZAJDXLNP-UHFFFAOYSA-N 2 1 346.515 3.408 20 0 EGADMP CCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001201731650 1369612738 /nfs/dbraw/zinc/61/27/38/1369612738.db2.gz SRSNDGYWOBHOKF-AABGKKOBSA-N 2 1 330.520 3.248 20 0 EGADMP CCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001201731650 1369612742 /nfs/dbraw/zinc/61/27/42/1369612742.db2.gz SRSNDGYWOBHOKF-AABGKKOBSA-N 2 1 330.520 3.248 20 0 EGADMP CCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001201731650 1369612745 /nfs/dbraw/zinc/61/27/45/1369612745.db2.gz SRSNDGYWOBHOKF-AABGKKOBSA-N 2 1 330.520 3.248 20 0 EGADMP C[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1nc(-c2ccccc2)no1 ZINC001201770831 1369620749 /nfs/dbraw/zinc/62/07/49/1369620749.db2.gz YGYCDIUQRWOZQJ-CQSZACIVSA-N 2 1 337.427 3.091 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001202156978 1369703432 /nfs/dbraw/zinc/70/34/32/1369703432.db2.gz RHWWWCNOXHSNQL-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC001202612256 1369823294 /nfs/dbraw/zinc/82/32/94/1369823294.db2.gz UURBHHYLGUVRKV-GOSISDBHSA-N 2 1 345.531 3.310 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC001202612256 1369823301 /nfs/dbraw/zinc/82/33/01/1369823301.db2.gz UURBHHYLGUVRKV-GOSISDBHSA-N 2 1 345.531 3.310 20 0 EGADMP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203044705 1369965157 /nfs/dbraw/zinc/96/51/57/1369965157.db2.gz PBLUWDIJJPYNPT-ZWKOTPCHSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)C[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203103861 1369983791 /nfs/dbraw/zinc/98/37/91/1369983791.db2.gz NFCPCSSZJJBJRH-MSOLQXFVSA-N 2 1 349.563 3.312 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203104710 1369984740 /nfs/dbraw/zinc/98/47/40/1369984740.db2.gz TXMMQGLZHVSPOA-MSOLQXFVSA-N 2 1 349.563 3.314 20 0 EGADMP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203104970 1369984795 /nfs/dbraw/zinc/98/47/95/1369984795.db2.gz UPUXFOODFIVVDI-DLBZAZTESA-N 2 1 337.552 3.170 20 0 EGADMP CC[NH+](CC)CCn1cc(Nc2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC001203260380 1370046968 /nfs/dbraw/zinc/04/69/68/1370046968.db2.gz UXOPODCZRYQTCH-UHFFFAOYSA-N 2 1 338.459 3.463 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203577004 1370176510 /nfs/dbraw/zinc/17/65/10/1370176510.db2.gz MNVZKHUNIWCJIH-MOPGFXCFSA-N 2 1 347.547 3.236 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001203903791 1370307685 /nfs/dbraw/zinc/30/76/85/1370307685.db2.gz NQRAEQLBCGKAAQ-GHOSXJJBSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](C)CC(C)C)CC1 ZINC001203904528 1370308984 /nfs/dbraw/zinc/30/89/84/1370308984.db2.gz ZMOMVDNLQGOPCK-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccsc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001204020114 1370350334 /nfs/dbraw/zinc/35/03/34/1370350334.db2.gz VMBJIWLVWMYJEX-MSOLQXFVSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ccsc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001204020114 1370350338 /nfs/dbraw/zinc/35/03/38/1370350338.db2.gz VMBJIWLVWMYJEX-MSOLQXFVSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ccsc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001204020114 1370350345 /nfs/dbraw/zinc/35/03/45/1370350345.db2.gz VMBJIWLVWMYJEX-MSOLQXFVSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ccsc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001204020114 1370350349 /nfs/dbraw/zinc/35/03/49/1370350349.db2.gz VMBJIWLVWMYJEX-MSOLQXFVSA-N 2 1 327.497 3.405 20 0 EGADMP CCc1ccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001204177150 1370400360 /nfs/dbraw/zinc/40/03/60/1370400360.db2.gz XOQXLSVRTNIYGP-FGZHOGPDSA-N 2 1 342.527 3.429 20 0 EGADMP CCc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)cc1 ZINC001204177150 1370400364 /nfs/dbraw/zinc/40/03/64/1370400364.db2.gz XOQXLSVRTNIYGP-FGZHOGPDSA-N 2 1 342.527 3.429 20 0 EGADMP CCc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)cc1 ZINC001204177150 1370400366 /nfs/dbraw/zinc/40/03/66/1370400366.db2.gz XOQXLSVRTNIYGP-FGZHOGPDSA-N 2 1 342.527 3.429 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC001204262952 1370424919 /nfs/dbraw/zinc/42/49/19/1370424919.db2.gz CDZDFALROIJJPA-FQEVSTJZSA-N 2 1 332.488 3.020 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CCC[C@]1(C)O ZINC001204263098 1370425265 /nfs/dbraw/zinc/42/52/65/1370425265.db2.gz GOOUIUONOWEHOX-PXNSSMCTSA-N 2 1 334.504 3.000 20 0 EGADMP CC(=O)n1cc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c2ccccc21 ZINC001204413086 1370469995 /nfs/dbraw/zinc/46/99/95/1370469995.db2.gz ZQEUTAWIQRQLBK-UHFFFAOYSA-N 2 1 348.450 3.327 20 0 EGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OC(F)(F)F)cc3)C[C@H]2C1 ZINC001204415734 1370470915 /nfs/dbraw/zinc/47/09/15/1370470915.db2.gz FFGDLMSGYVHHAA-HUUCEWRRSA-N 2 1 328.378 3.359 20 0 EGADMP COc1ccc(-c2ccc(C[NH+](C)C)cc2)c(C[NH+]2CCOCC2)c1 ZINC001204660917 1370538614 /nfs/dbraw/zinc/53/86/14/1370538614.db2.gz OJTRIXZUXDVRCZ-UHFFFAOYSA-N 2 1 340.467 3.256 20 0 EGADMP Fc1cc(OC(F)F)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742662 1370561842 /nfs/dbraw/zinc/56/18/42/1370561842.db2.gz QDYJQNAJVUUIGG-UHFFFAOYSA-N 2 1 328.378 3.393 20 0 EGADMP CCn1c2ccccc2c2cc(C[N@H+]3CCO[C@H](CC[NH3+])C3)ccc21 ZINC001204756047 1370567843 /nfs/dbraw/zinc/56/78/43/1370567843.db2.gz KGWBUVPQFIHUIH-QGZVFWFLSA-N 2 1 337.467 3.364 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115573649 1370576458 /nfs/dbraw/zinc/57/64/58/1370576458.db2.gz SFZYBKXFOSPUFF-GOSISDBHSA-N 2 1 337.552 3.458 20 0 EGADMP C[C@@H](F)CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579360 1370582642 /nfs/dbraw/zinc/58/26/42/1370582642.db2.gz KESGATKEGVCCGI-IAGOWNOFSA-N 2 1 341.515 3.018 20 0 EGADMP O=C1CC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)[C@H]2CCCC[C@H]12 ZINC001204847963 1370589256 /nfs/dbraw/zinc/58/92/56/1370589256.db2.gz ISXDRROPPDLVTH-OALUTQOASA-N 2 1 337.467 3.078 20 0 EGADMP Cc1ccccc1OC1CC[NH+](C[C@@H]2[C@@H](C)C[NH2+]CC2(F)F)CC1 ZINC001204869693 1370593861 /nfs/dbraw/zinc/59/38/61/1370593861.db2.gz GQRZCHVBONLMNS-DOTOQJQBSA-N 2 1 338.442 3.329 20 0 EGADMP C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001205164409 1370667262 /nfs/dbraw/zinc/66/72/62/1370667262.db2.gz FPFKINDSBPXQSR-GOSISDBHSA-N 2 1 335.495 3.211 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2([NH2+]CC3CCC3)CCCCC2)C1 ZINC001115688304 1370671899 /nfs/dbraw/zinc/67/18/99/1370671899.db2.gz WIJQQQSBBQFBTE-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CC3CCC3)CCCCC2)C1 ZINC001115688305 1370671949 /nfs/dbraw/zinc/67/19/49/1370671949.db2.gz WIJQQQSBBQFBTE-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP Cc1ccc(Oc2cccc(C[N@H+]3CCC[C@](O)(C[NH3+])CC3)c2)cc1 ZINC001205231437 1370689422 /nfs/dbraw/zinc/68/94/22/1370689422.db2.gz XYWSKJDGCPYVOR-OAQYLSRUSA-N 2 1 340.467 3.463 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(-c3ccccc3)ncc2Cl)CC1 ZINC001205248758 1370695247 /nfs/dbraw/zinc/69/52/47/1370695247.db2.gz SEZWNJUFMSGIHC-LJQANCHMSA-N 2 1 345.874 3.078 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205283742 1370705830 /nfs/dbraw/zinc/70/58/30/1370705830.db2.gz FGSBIHLIRYFKFF-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205285290 1370706636 /nfs/dbraw/zinc/70/66/36/1370706636.db2.gz VORNEXMAGJEGQV-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115730430 1370713360 /nfs/dbraw/zinc/71/33/60/1370713360.db2.gz JPMLGIZHZBSEPI-MSOLQXFVSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2c[nH]c3cccc(Br)c23)C[C@@H]1C[NH3+] ZINC001205303276 1370714167 /nfs/dbraw/zinc/71/41/67/1370714167.db2.gz BWPMIRMXYYPKIV-NEPJUHHUSA-N 2 1 336.277 3.347 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cccc(Br)c23)C[C@@H]1C[NH3+] ZINC001205303276 1370714169 /nfs/dbraw/zinc/71/41/69/1370714169.db2.gz BWPMIRMXYYPKIV-NEPJUHHUSA-N 2 1 336.277 3.347 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205303287 1370714461 /nfs/dbraw/zinc/71/44/61/1370714461.db2.gz BYKJEHABQICZMH-LSDHHAIUSA-N 2 1 343.471 3.070 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205303287 1370714464 /nfs/dbraw/zinc/71/44/64/1370714464.db2.gz BYKJEHABQICZMH-LSDHHAIUSA-N 2 1 343.471 3.070 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(O)c(OCc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC001205317344 1370718523 /nfs/dbraw/zinc/71/85/23/1370718523.db2.gz OCLKKAXBSWDVHG-LPHOPBHVSA-N 2 1 340.467 3.388 20 0 EGADMP Cc1c(C)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC001205318529 1370719763 /nfs/dbraw/zinc/71/97/63/1370719763.db2.gz VUBJIXYYQVSALT-ABAIWWIYSA-N 2 1 325.294 3.483 20 0 EGADMP Cc1c(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC001205318529 1370719768 /nfs/dbraw/zinc/71/97/68/1370719768.db2.gz VUBJIXYYQVSALT-ABAIWWIYSA-N 2 1 325.294 3.483 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(C)cc1Br ZINC001205317904 1370720107 /nfs/dbraw/zinc/72/01/07/1370720107.db2.gz QLQRTWBZWACXCK-XHDPSFHLSA-N 2 1 325.294 3.483 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(C)cc1Br ZINC001205317904 1370720110 /nfs/dbraw/zinc/72/01/10/1370720110.db2.gz QLQRTWBZWACXCK-XHDPSFHLSA-N 2 1 325.294 3.483 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2C)CCCCC1 ZINC001115773321 1370756509 /nfs/dbraw/zinc/75/65/09/1370756509.db2.gz XGNRXXCKVIDIOF-UHFFFAOYSA-N 2 1 346.519 3.347 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205460888 1370762862 /nfs/dbraw/zinc/76/28/62/1370762862.db2.gz ADEBYAKIWLQFAO-KKHYBRAUSA-N 2 1 349.563 3.434 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(Br)ccc2F)CC1 ZINC001205545790 1370786958 /nfs/dbraw/zinc/78/69/58/1370786958.db2.gz NDNMKNXABDJNHO-CQSZACIVSA-N 2 1 333.220 3.241 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(Br)ccc2F)CC1 ZINC001205545790 1370786961 /nfs/dbraw/zinc/78/69/61/1370786961.db2.gz NDNMKNXABDJNHO-CQSZACIVSA-N 2 1 333.220 3.241 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(F)cccc2Br)CC1 ZINC001205559198 1370791613 /nfs/dbraw/zinc/79/16/13/1370791613.db2.gz OTTBVUSCNFHOKQ-CQSZACIVSA-N 2 1 333.220 3.241 20 0 EGADMP COc1cc(Cl)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(OC)c1 ZINC001205571630 1370795805 /nfs/dbraw/zinc/79/58/05/1370795805.db2.gz WKNFOLDKEYDXSU-INIZCTEOSA-N 2 1 330.831 3.010 20 0 EGADMP COc1cccc(Br)c1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205579612 1370798741 /nfs/dbraw/zinc/79/87/41/1370798741.db2.gz OPAJJLIYOJBHRM-HNNXBMFYSA-N 2 1 345.256 3.111 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(Cl)nc(C(F)(F)F)c2)CC1 ZINC001205592487 1370803981 /nfs/dbraw/zinc/80/39/81/1370803981.db2.gz VJUVIVJAODYNMF-ZDUSSCGKSA-N 2 1 339.764 3.407 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(Cl)nc(C(F)(F)F)c2)CC1 ZINC001205592487 1370803986 /nfs/dbraw/zinc/80/39/86/1370803986.db2.gz VJUVIVJAODYNMF-ZDUSSCGKSA-N 2 1 339.764 3.407 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)CC1 ZINC001205591673 1370804130 /nfs/dbraw/zinc/80/41/30/1370804130.db2.gz NXSIQAXKQFGBMG-HXUWFJFHSA-N 2 1 343.446 3.314 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205626844 1370816345 /nfs/dbraw/zinc/81/63/45/1370816345.db2.gz JTUHROFWWKDFEL-STQMWFEESA-N 2 1 346.393 3.401 20 0 EGADMP COc1c(Br)cccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205629459 1370817335 /nfs/dbraw/zinc/81/73/35/1370817335.db2.gz YXUMXPSYMRRLFV-QWHCGFSZSA-N 2 1 341.293 3.265 20 0 EGADMP Cc1nc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(Br)s1 ZINC001205638042 1370821828 /nfs/dbraw/zinc/82/18/28/1370821828.db2.gz KOPDSJFPYNFFHV-ONGXEEELSA-N 2 1 332.311 3.021 20 0 EGADMP Cc1nc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(Br)s1 ZINC001205638042 1370821832 /nfs/dbraw/zinc/82/18/32/1370821832.db2.gz KOPDSJFPYNFFHV-ONGXEEELSA-N 2 1 332.311 3.021 20 0 EGADMP Cc1nc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(Br)s1 ZINC001205638040 1370822130 /nfs/dbraw/zinc/82/21/30/1370822130.db2.gz KOPDSJFPYNFFHV-KOLCDFICSA-N 2 1 332.311 3.021 20 0 EGADMP Cc1nc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(Br)s1 ZINC001205638040 1370822132 /nfs/dbraw/zinc/82/21/32/1370822132.db2.gz KOPDSJFPYNFFHV-KOLCDFICSA-N 2 1 332.311 3.021 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CC[C@H]1C[NH3+] ZINC001205652303 1370828158 /nfs/dbraw/zinc/82/81/58/1370828158.db2.gz PEEVLJJWVKNCJL-OLZOCXBDSA-N 2 1 333.863 3.401 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cn2)CC[C@H]1C[NH3+] ZINC001205653778 1370829974 /nfs/dbraw/zinc/82/99/74/1370829974.db2.gz VKUQMKLILQEIRA-MJGOQNOKSA-N 2 1 339.483 3.467 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205654197 1370830003 /nfs/dbraw/zinc/83/00/03/1370830003.db2.gz WRGHXXNJONKIGM-GOEBONIOSA-N 2 1 332.879 3.333 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(F)c(F)c1Cl ZINC001205665427 1370834843 /nfs/dbraw/zinc/83/48/43/1370834843.db2.gz RFNVZCIRMTUVMJ-QWRGUYRKSA-N 2 1 332.822 3.434 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(F)c(F)c1Cl ZINC001205665427 1370834841 /nfs/dbraw/zinc/83/48/41/1370834841.db2.gz RFNVZCIRMTUVMJ-QWRGUYRKSA-N 2 1 332.822 3.434 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001205671554 1370837696 /nfs/dbraw/zinc/83/76/96/1370837696.db2.gz CJCGYMIXUPAKDR-HXUWFJFHSA-N 2 1 328.431 3.168 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001205725825 1370853644 /nfs/dbraw/zinc/85/36/44/1370853644.db2.gz LQSZUFSCBJENNZ-QFIPXVFZSA-N 2 1 338.495 3.148 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001116208781 1370860950 /nfs/dbraw/zinc/86/09/50/1370860950.db2.gz HPWYRGNCGORQRP-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001116208781 1370860954 /nfs/dbraw/zinc/86/09/54/1370860954.db2.gz HPWYRGNCGORQRP-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001116208781 1370860958 /nfs/dbraw/zinc/86/09/58/1370860958.db2.gz HPWYRGNCGORQRP-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP CN(C)c1ccc2cc(C[N@@H+]3CCC(F)(F)[C@H](C[NH3+])C3)ccc2c1 ZINC001205781412 1370867981 /nfs/dbraw/zinc/86/79/81/1370867981.db2.gz WXBPNIVFRRYCGK-QGZVFWFLSA-N 2 1 333.426 3.322 20 0 EGADMP CN(C)c1ccc2cc(C[N@H+]3CCC(F)(F)[C@H](C[NH3+])C3)ccc2c1 ZINC001205781412 1370867983 /nfs/dbraw/zinc/86/79/83/1370867983.db2.gz WXBPNIVFRRYCGK-QGZVFWFLSA-N 2 1 333.426 3.322 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2ccncc2C)CC1 ZINC001205873076 1370897618 /nfs/dbraw/zinc/89/76/18/1370897618.db2.gz MOLXAJUBKXKTRY-UHFFFAOYSA-N 2 1 332.536 3.020 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205916163 1370909605 /nfs/dbraw/zinc/90/96/05/1370909605.db2.gz SFTOCAXSEUVAAS-CABCVRRESA-N 2 1 343.471 3.212 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205916163 1370909606 /nfs/dbraw/zinc/90/96/06/1370909606.db2.gz SFTOCAXSEUVAAS-CABCVRRESA-N 2 1 343.471 3.212 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCCCC2)CCC[C@@]1(O)C(F)(F)F ZINC001205922943 1370911850 /nfs/dbraw/zinc/91/18/50/1370911850.db2.gz DWXRFWNHJCTHQY-ZBFHGGJFSA-N 2 1 336.442 3.324 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCCCC2)CCC[C@@]1(O)C(F)(F)F ZINC001205922943 1370911853 /nfs/dbraw/zinc/91/18/53/1370911853.db2.gz DWXRFWNHJCTHQY-ZBFHGGJFSA-N 2 1 336.442 3.324 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)c2ccccc21 ZINC001326038891 1388103810 /nfs/dbraw/zinc/10/38/10/1388103810.db2.gz QIKDCJZITHKKLL-PWIZWCRZSA-N 2 1 335.451 3.026 20 0 EGADMP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CCCC[C@@H]([NH3+])C3)c2)cc1 ZINC001205937592 1370917653 /nfs/dbraw/zinc/91/76/53/1370917653.db2.gz AUFVOHXTFADOHU-HXUWFJFHSA-N 2 1 338.451 3.453 20 0 EGADMP COC(=O)c1ccc(-c2cccc(C[N@H+]3CCCC[C@@H]([NH3+])C3)c2)cc1 ZINC001205937592 1370917655 /nfs/dbraw/zinc/91/76/55/1370917655.db2.gz AUFVOHXTFADOHU-HXUWFJFHSA-N 2 1 338.451 3.453 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(Cl)c(Br)n2)CCC[C@@H]1C[NH3+] ZINC001206012785 1370938150 /nfs/dbraw/zinc/93/81/50/1370938150.db2.gz NVLZXCDZMILFDE-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(Br)n2)CCC[C@@H]1C[NH3+] ZINC001206012785 1370938153 /nfs/dbraw/zinc/93/81/53/1370938153.db2.gz NVLZXCDZMILFDE-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@H+](Cc2cnc(Cl)cc2Br)CCC[C@@H]1C[NH3+] ZINC001206013204 1370938623 /nfs/dbraw/zinc/93/86/23/1370938623.db2.gz QGGHTQUXMNRAMF-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cnc(Cl)cc2Br)CCC[C@@H]1C[NH3+] ZINC001206013204 1370938628 /nfs/dbraw/zinc/93/86/28/1370938628.db2.gz QGGHTQUXMNRAMF-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2Oc2cnccn2)CCC[C@@H]1C[NH3+] ZINC001206027885 1370941815 /nfs/dbraw/zinc/94/18/15/1370941815.db2.gz XAWFDLHMMLFCSA-HZPDHXFCSA-N 2 1 326.444 3.076 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(O)c(OC(F)(F)F)c2)CCC[C@@H]1C[NH3+] ZINC001206026558 1370942483 /nfs/dbraw/zinc/94/24/83/1370942483.db2.gz SVAJFAIIGYQDKS-WCQYABFASA-N 2 1 332.366 3.098 20 0 EGADMP CNc1ccc(C)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC001206032440 1370943999 /nfs/dbraw/zinc/94/39/99/1370943999.db2.gz UAHPVUMOOLJALV-DFNIBXOVSA-N 2 1 331.504 3.110 20 0 EGADMP CNc1ccc(C)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC001206032440 1370944001 /nfs/dbraw/zinc/94/40/01/1370944001.db2.gz UAHPVUMOOLJALV-DFNIBXOVSA-N 2 1 331.504 3.110 20 0 EGADMP CNc1ccc(C)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC001206032440 1370944004 /nfs/dbraw/zinc/94/40/04/1370944004.db2.gz UAHPVUMOOLJALV-DFNIBXOVSA-N 2 1 331.504 3.110 20 0 EGADMP CNc1ccc(C)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC001206032440 1370944006 /nfs/dbraw/zinc/94/40/06/1370944006.db2.gz UAHPVUMOOLJALV-DFNIBXOVSA-N 2 1 331.504 3.110 20 0 EGADMP CN(CCC[N@@H+](C)[C@@H]1CC[C@@](C)(c2ccccc2)C1)CC[NH+](C)C ZINC001206135226 1370968586 /nfs/dbraw/zinc/96/85/86/1370968586.db2.gz FXBISVVZKDDFBN-NHCUHLMSSA-N 2 1 331.548 3.312 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](Cc2nccnc2-c2ccc(Cl)cc2)CC[C@H]1F ZINC001206187392 1370986814 /nfs/dbraw/zinc/98/68/14/1370986814.db2.gz SWUFTNCNZZZJDI-HUUCEWRRSA-N 2 1 334.826 3.058 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](Cc2nccnc2-c2ccc(Cl)cc2)CC[C@H]1F ZINC001206187392 1370986818 /nfs/dbraw/zinc/98/68/18/1370986818.db2.gz SWUFTNCNZZZJDI-HUUCEWRRSA-N 2 1 334.826 3.058 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001206296724 1371013923 /nfs/dbraw/zinc/01/39/23/1371013923.db2.gz UJMFIDAAOJQCKA-NRFANRHFSA-N 3 1 329.532 3.350 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001206292894 1371014322 /nfs/dbraw/zinc/01/43/22/1371014322.db2.gz FKVVGFRUYFEKKG-SFTDATJTSA-N 3 1 329.532 3.350 20 0 EGADMP C[C@]1(C[NH3+])CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001206292894 1371014324 /nfs/dbraw/zinc/01/43/24/1371014324.db2.gz FKVVGFRUYFEKKG-SFTDATJTSA-N 3 1 329.532 3.350 20 0 EGADMP C[C@]1(C[NH3+])CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001206292894 1371014328 /nfs/dbraw/zinc/01/43/28/1371014328.db2.gz FKVVGFRUYFEKKG-SFTDATJTSA-N 3 1 329.532 3.350 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001206292894 1371014330 /nfs/dbraw/zinc/01/43/30/1371014330.db2.gz FKVVGFRUYFEKKG-SFTDATJTSA-N 2 1 329.532 3.350 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001206292894 1371014333 /nfs/dbraw/zinc/01/43/33/1371014333.db2.gz FKVVGFRUYFEKKG-SFTDATJTSA-N 2 1 329.532 3.350 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206295792 1371014565 /nfs/dbraw/zinc/01/45/65/1371014565.db2.gz NTULIMLTDJRLAZ-FQEVSTJZSA-N 2 1 332.488 3.247 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1Br ZINC001206304393 1371015736 /nfs/dbraw/zinc/01/57/36/1371015736.db2.gz JUIXGFHCGVDPKJ-MRXNPFEDSA-N 2 1 341.293 3.409 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206305083 1371016840 /nfs/dbraw/zinc/01/68/40/1371016840.db2.gz SOTGVAJNCLHBII-NRFANRHFSA-N 2 1 340.515 3.499 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1OCC1CC1 ZINC001206311896 1371017936 /nfs/dbraw/zinc/01/79/36/1371017936.db2.gz WQJKJCJCGCUEIH-FQEVSTJZSA-N 2 1 332.488 3.435 20 0 EGADMP COc1cccc(Br)c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206327248 1371023802 /nfs/dbraw/zinc/02/38/02/1371023802.db2.gz UGIZKLZUKIUCBX-INIZCTEOSA-N 2 1 341.293 3.409 20 0 EGADMP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001206476465 1371066466 /nfs/dbraw/zinc/06/64/66/1371066466.db2.gz UVZSUQXAZFRBHR-QGZVFWFLSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)CC[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001206475939 1371066503 /nfs/dbraw/zinc/06/65/03/1371066503.db2.gz SWCVFVRAMMOIRG-UHFFFAOYSA-N 2 1 348.535 3.271 20 0 EGADMP COCCCOc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC001206589960 1371102283 /nfs/dbraw/zinc/10/22/83/1371102283.db2.gz JMCJUIJHELLPLZ-LJQANCHMSA-N 2 1 334.504 3.454 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]CC[C@@H](C)F)CC1 ZINC001206621896 1371111102 /nfs/dbraw/zinc/11/11/02/1371111102.db2.gz IUQHZEJVWPRHQP-QGZVFWFLSA-N 2 1 343.531 3.075 20 0 EGADMP COc1ccc(-c2cccc(C[N@H+]3CCCC[C@H](C[NH3+])C3)n2)cc1 ZINC001206622919 1371111594 /nfs/dbraw/zinc/11/15/94/1371111594.db2.gz IVAVEXIZOBTHKG-MRXNPFEDSA-N 2 1 325.456 3.318 20 0 EGADMP CCOc1cccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1Br ZINC001206646387 1371118407 /nfs/dbraw/zinc/11/84/07/1371118407.db2.gz BHJMQIZVHPTXNM-ZDUSSCGKSA-N 2 1 341.293 3.409 20 0 EGADMP CCOc1cccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1Br ZINC001206646387 1371118411 /nfs/dbraw/zinc/11/84/11/1371118411.db2.gz BHJMQIZVHPTXNM-ZDUSSCGKSA-N 2 1 341.293 3.409 20 0 EGADMP COc1ccc2c(OC)ccc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)c2c1 ZINC001206649545 1371119202 /nfs/dbraw/zinc/11/92/02/1371119202.db2.gz VSUOXTBNAPDCRT-HNNXBMFYSA-N 2 1 328.456 3.418 20 0 EGADMP CCOC(=O)c1ccc(-c2ccc(C[NH+]3CC(C)(C[NH3+])C3)cc2)cc1 ZINC001206744918 1371152206 /nfs/dbraw/zinc/15/22/06/1371152206.db2.gz KUSXFIJAOOYDMX-UHFFFAOYSA-N 2 1 338.451 3.311 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]CCCC3CCCC3)CC2)C1 ZINC001206872409 1371199382 /nfs/dbraw/zinc/19/93/82/1371199382.db2.gz CJDWIYYWKULOGL-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001206952522 1371244028 /nfs/dbraw/zinc/24/40/28/1371244028.db2.gz SGMKCJICCLAQOE-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC(C[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001206954832 1371244776 /nfs/dbraw/zinc/24/47/76/1371244776.db2.gz ZQKCVBOOTMTSMS-MRXNPFEDSA-N 2 1 349.494 3.055 20 0 EGADMP O=c1[nH]cccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001207005220 1371264082 /nfs/dbraw/zinc/26/40/82/1371264082.db2.gz YVZSNPDQGMWCJC-UHFFFAOYSA-N 2 1 343.496 3.337 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cc2)cn1 ZINC001326201910 1388126903 /nfs/dbraw/zinc/12/69/03/1388126903.db2.gz LQTWHLPHPIIPJO-VQTJNVASSA-N 2 1 338.499 3.299 20 0 EGADMP CN(C[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC001207276081 1371347721 /nfs/dbraw/zinc/34/77/21/1371347721.db2.gz UCFHMNPRSJOZKN-INIZCTEOSA-N 2 1 341.540 3.153 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 ZINC001207279120 1371348330 /nfs/dbraw/zinc/34/83/30/1371348330.db2.gz BVDKMXYQCUZXDW-CTNGQTDRSA-N 2 1 345.531 3.288 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@H]4OCCC[C@@H]4C3)CC2)cc1 ZINC001207286745 1371351671 /nfs/dbraw/zinc/35/16/71/1371351671.db2.gz LNHKMZQQGXLKIY-NHCUHLMSSA-N 2 1 328.500 3.400 20 0 EGADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207479948 1371408683 /nfs/dbraw/zinc/40/86/83/1371408683.db2.gz QKBRXGPAKWYMLR-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2CCC2CC[NH+](C)CC2)O1 ZINC001207482279 1371409295 /nfs/dbraw/zinc/40/92/95/1371409295.db2.gz APJDIHTXMNTGMN-VAMGGRTRSA-N 2 1 338.536 3.013 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207486894 1371411307 /nfs/dbraw/zinc/41/13/07/1371411307.db2.gz OSYMWJUHCYFJHZ-NVXWUHKLSA-N 2 1 339.524 3.096 20 0 EGADMP Fc1ccc(CC[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001207513653 1371421492 /nfs/dbraw/zinc/42/14/92/1371421492.db2.gz QLJHUSNARCNJSK-TZIWHRDSSA-N 2 1 346.490 3.191 20 0 EGADMP Fc1ccc(CC[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001207513653 1371421494 /nfs/dbraw/zinc/42/14/94/1371421494.db2.gz QLJHUSNARCNJSK-TZIWHRDSSA-N 2 1 346.490 3.191 20 0 EGADMP Fc1ccc(CC[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001207513653 1371421497 /nfs/dbraw/zinc/42/14/97/1371421497.db2.gz QLJHUSNARCNJSK-TZIWHRDSSA-N 2 1 346.490 3.191 20 0 EGADMP Fc1ccc(CC[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001207513653 1371421500 /nfs/dbraw/zinc/42/15/00/1371421500.db2.gz QLJHUSNARCNJSK-TZIWHRDSSA-N 2 1 346.490 3.191 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540908 1371430602 /nfs/dbraw/zinc/43/06/02/1371430602.db2.gz KXABMXYXPZVSEL-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001207540908 1371430604 /nfs/dbraw/zinc/43/06/04/1371430604.db2.gz KXABMXYXPZVSEL-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001207540908 1371430607 /nfs/dbraw/zinc/43/06/07/1371430607.db2.gz KXABMXYXPZVSEL-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCC3CCCCC3)CCCCC2)C1 ZINC001120128976 1371491081 /nfs/dbraw/zinc/49/10/81/1371491081.db2.gz CBLBTVKFAZSSGM-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC3CCCCCC3)CCCCC2)C1 ZINC001120129587 1371492362 /nfs/dbraw/zinc/49/23/62/1371492362.db2.gz KCHMWPINGJTHEI-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CCCCCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCCCC1 ZINC001120140806 1371494231 /nfs/dbraw/zinc/49/42/31/1371494231.db2.gz MHODRJLMBKGTNX-UHFFFAOYSA-N 2 1 334.508 3.181 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1 ZINC001120208052 1371505473 /nfs/dbraw/zinc/50/54/73/1371505473.db2.gz SGWPSPBCBFKZNO-ACBHZAAOSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120423040 1371570789 /nfs/dbraw/zinc/57/07/89/1371570789.db2.gz RBPLNIQSYSSOPR-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439745 1371577107 /nfs/dbraw/zinc/57/71/07/1371577107.db2.gz IQVWVOFSERZNMI-ILWWCXPUSA-N 2 1 349.563 3.388 20 0 EGADMP CC[N@H+](Cc1ccccc1)C1CC[NH+](CCCn2cccn2)CC1 ZINC001208080203 1371590247 /nfs/dbraw/zinc/59/02/47/1371590247.db2.gz FFHMJBBFOPQOSS-UHFFFAOYSA-N 2 1 326.488 3.260 20 0 EGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](CCCn2cccn2)CC1 ZINC001208080203 1371590251 /nfs/dbraw/zinc/59/02/51/1371590251.db2.gz FFHMJBBFOPQOSS-UHFFFAOYSA-N 2 1 326.488 3.260 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001208107804 1371596293 /nfs/dbraw/zinc/59/62/93/1371596293.db2.gz KPDCEKAJWAZRRB-INIZCTEOSA-N 2 1 339.524 3.098 20 0 EGADMP CN1CCC([N@@H+](Cc2ccc(F)cc2)CC2(C)CC[NH+](C)CC2)CC1 ZINC001208116653 1371601415 /nfs/dbraw/zinc/60/14/15/1371601415.db2.gz ZNXJJBBOTWIDSR-UHFFFAOYSA-N 2 1 347.522 3.454 20 0 EGADMP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)CC2(C)CC[NH+](C)CC2)CC1 ZINC001208116653 1371601417 /nfs/dbraw/zinc/60/14/17/1371601417.db2.gz ZNXJJBBOTWIDSR-UHFFFAOYSA-N 3 1 347.522 3.454 20 0 EGADMP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)CC2(C)CC[NH+](C)CC2)CC1 ZINC001208116653 1371601420 /nfs/dbraw/zinc/60/14/20/1371601420.db2.gz ZNXJJBBOTWIDSR-UHFFFAOYSA-N 3 1 347.522 3.454 20 0 EGADMP C[NH+](C)CC1(CN2CC[N@@H+]3CCc4ccccc4[C@H]3C2)CCCC1 ZINC001208187961 1371625805 /nfs/dbraw/zinc/62/58/05/1371625805.db2.gz QWFZUKJGNCRHEV-HXUWFJFHSA-N 2 1 327.516 3.023 20 0 EGADMP C[NH+](C)CC1(CN2CC[N@H+]3CCc4ccccc4[C@H]3C2)CCCC1 ZINC001208187961 1371625810 /nfs/dbraw/zinc/62/58/10/1371625810.db2.gz QWFZUKJGNCRHEV-HXUWFJFHSA-N 2 1 327.516 3.023 20 0 EGADMP C[NH+](C)CC1(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)CCCC1 ZINC001208185458 1371626023 /nfs/dbraw/zinc/62/60/23/1371626023.db2.gz NHZYQUYRCDQBTE-HDICACEKSA-N 2 1 347.572 3.234 20 0 EGADMP CC/C=C\CCCCC[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001208190612 1371630448 /nfs/dbraw/zinc/63/04/48/1371630448.db2.gz LBYRIOQQJDPZNI-TZFVZSICSA-N 2 1 338.536 3.182 20 0 EGADMP CC/C=C\CCCCC[NH+]1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001208190612 1371630469 /nfs/dbraw/zinc/63/04/69/1371630469.db2.gz LBYRIOQQJDPZNI-TZFVZSICSA-N 2 1 338.536 3.182 20 0 EGADMP CC/C=C\CCCCC[NH+]1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001208190612 1371630505 /nfs/dbraw/zinc/63/05/05/1371630505.db2.gz LBYRIOQQJDPZNI-TZFVZSICSA-N 2 1 338.536 3.182 20 0 EGADMP C[NH+](C)CC1(CN2CCC[N@@H+](Cc3ccccc3)CC2)CCCC1 ZINC001208190977 1371630905 /nfs/dbraw/zinc/63/09/05/1371630905.db2.gz ILEPUGABSGWJEG-UHFFFAOYSA-N 2 1 329.532 3.316 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331876 1371721722 /nfs/dbraw/zinc/72/17/22/1371721722.db2.gz XUOGBEBGNGIURI-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208335616 1371723459 /nfs/dbraw/zinc/72/34/59/1371723459.db2.gz WSENQUVJRUIPPZ-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP CCc1ccc(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)[N@H+](C)CC)C2)cc1 ZINC001208447125 1371768766 /nfs/dbraw/zinc/76/87/66/1371768766.db2.gz ILRFUDFOBHIXTB-IBGZPJMESA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001208448031 1371769451 /nfs/dbraw/zinc/76/94/51/1371769451.db2.gz UCDMQDNJSIYXDP-CVEARBPZSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[N@@H+](C)[C@@H]1CCN(C[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001208590037 1371832036 /nfs/dbraw/zinc/83/20/36/1371832036.db2.gz BPEZWZVZDTZJBE-RTWAWAEBSA-N 2 1 329.532 3.456 20 0 EGADMP CC(C)[NH+](C)[C@@H]1CCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001208590037 1371832043 /nfs/dbraw/zinc/83/20/43/1371832043.db2.gz BPEZWZVZDTZJBE-RTWAWAEBSA-N 2 1 329.532 3.456 20 0 EGADMP CC(C)[NH+](C)[C@@H]1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208590037 1371832046 /nfs/dbraw/zinc/83/20/46/1371832046.db2.gz BPEZWZVZDTZJBE-RTWAWAEBSA-N 2 1 329.532 3.456 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001208604555 1371837870 /nfs/dbraw/zinc/83/78/70/1371837870.db2.gz QHWWMGAGFUIAOR-HNNXBMFYSA-N 2 1 341.421 3.169 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001208604555 1371837874 /nfs/dbraw/zinc/83/78/74/1371837874.db2.gz QHWWMGAGFUIAOR-HNNXBMFYSA-N 2 1 341.421 3.169 20 0 EGADMP CCOC(=O)C1([N@@H+](Cc2ccccc2)CC2CC[NH+](CC)CC2)CC1 ZINC001208605056 1371837886 /nfs/dbraw/zinc/83/78/86/1371837886.db2.gz XJCYJZJOKIOPJT-UHFFFAOYSA-N 2 1 344.499 3.316 20 0 EGADMP CCOC(=O)C1([N@H+](Cc2ccccc2)CC2CC[NH+](CC)CC2)CC1 ZINC001208605056 1371837888 /nfs/dbraw/zinc/83/78/88/1371837888.db2.gz XJCYJZJOKIOPJT-UHFFFAOYSA-N 2 1 344.499 3.316 20 0 EGADMP COC(=O)c1ccc([C@H]2CCCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)cc1 ZINC001208612571 1371840275 /nfs/dbraw/zinc/84/02/75/1371840275.db2.gz BYJRNCXFCYLFER-QFBILLFUSA-N 2 1 330.472 3.342 20 0 EGADMP COC(=O)c1ccc([C@H]2CCCC[N@H+]2C[C@H]2CCC[NH+](C)C2)cc1 ZINC001208612571 1371840276 /nfs/dbraw/zinc/84/02/76/1371840276.db2.gz BYJRNCXFCYLFER-QFBILLFUSA-N 2 1 330.472 3.342 20 0 EGADMP COC(=O)c1ccc([C@H]2CCCC[NH+]2C[C@H]2CCC[N@H+](C)C2)cc1 ZINC001208612571 1371840284 /nfs/dbraw/zinc/84/02/84/1371840284.db2.gz BYJRNCXFCYLFER-QFBILLFUSA-N 2 1 330.472 3.342 20 0 EGADMP COC(=O)c1ccc([C@H]2CCCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001208612571 1371840288 /nfs/dbraw/zinc/84/02/88/1371840288.db2.gz BYJRNCXFCYLFER-QFBILLFUSA-N 2 1 330.472 3.342 20 0 EGADMP C[N@@H+](Cc1cccc(F)c1)C1CCN(C[C@H]2CCC[NH+](C)C2)CC1 ZINC001208615096 1371841464 /nfs/dbraw/zinc/84/14/64/1371841464.db2.gz GKAKRWCQZLXTOH-SFHVURJKSA-N 2 1 333.495 3.064 20 0 EGADMP C[NH+](Cc1cccc(F)c1)C1CCN(C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208615096 1371841466 /nfs/dbraw/zinc/84/14/66/1371841466.db2.gz GKAKRWCQZLXTOH-SFHVURJKSA-N 2 1 333.495 3.064 20 0 EGADMP C[NH+](Cc1cccc(F)c1)C1CCN(C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208615096 1371841469 /nfs/dbraw/zinc/84/14/69/1371841469.db2.gz GKAKRWCQZLXTOH-SFHVURJKSA-N 2 1 333.495 3.064 20 0 EGADMP CC(C)[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208614709 1371841539 /nfs/dbraw/zinc/84/15/39/1371841539.db2.gz FLIYNNXOKYCIGD-IAGOWNOFSA-N 2 1 339.524 3.048 20 0 EGADMP CC(C)[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208614709 1371841542 /nfs/dbraw/zinc/84/15/42/1371841542.db2.gz FLIYNNXOKYCIGD-IAGOWNOFSA-N 2 1 339.524 3.048 20 0 EGADMP CC(C)[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208614709 1371841546 /nfs/dbraw/zinc/84/15/46/1371841546.db2.gz FLIYNNXOKYCIGD-IAGOWNOFSA-N 2 1 339.524 3.048 20 0 EGADMP CC(C)[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208614709 1371841548 /nfs/dbraw/zinc/84/15/48/1371841548.db2.gz FLIYNNXOKYCIGD-IAGOWNOFSA-N 2 1 339.524 3.048 20 0 EGADMP CC[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208617897 1371842541 /nfs/dbraw/zinc/84/25/41/1371842541.db2.gz QLLDOXMPVLXPRW-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP CC[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208617897 1371842544 /nfs/dbraw/zinc/84/25/44/1371842544.db2.gz QLLDOXMPVLXPRW-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208617897 1371842546 /nfs/dbraw/zinc/84/25/46/1371842546.db2.gz QLLDOXMPVLXPRW-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208617897 1371842549 /nfs/dbraw/zinc/84/25/49/1371842549.db2.gz QLLDOXMPVLXPRW-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP CC[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208617901 1371843273 /nfs/dbraw/zinc/84/32/73/1371843273.db2.gz QLLDOXMPVLXPRW-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP CC[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208617901 1371843276 /nfs/dbraw/zinc/84/32/76/1371843276.db2.gz QLLDOXMPVLXPRW-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208617901 1371843280 /nfs/dbraw/zinc/84/32/80/1371843280.db2.gz QLLDOXMPVLXPRW-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208617901 1371843284 /nfs/dbraw/zinc/84/32/84/1371843284.db2.gz QLLDOXMPVLXPRW-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001121103274 1371854879 /nfs/dbraw/zinc/85/48/79/1371854879.db2.gz UBNVVLSSMYSSJK-IKQKDXEZSA-N 2 1 349.563 3.312 20 0 EGADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](CCC1CC1)CC2 ZINC001208680854 1371859421 /nfs/dbraw/zinc/85/94/21/1371859421.db2.gz ITLZSVMPOQRDFY-KRWDZBQOSA-N 2 1 349.544 3.246 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC[C@@H]([NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001208757470 1371885612 /nfs/dbraw/zinc/88/56/12/1371885612.db2.gz DXAXOZDWOBDTDN-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP COC(=O)[C@@]1(C)CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939975 1371953717 /nfs/dbraw/zinc/95/37/17/1371953717.db2.gz MUJYCCOFZXEDCG-FPOVZHCZSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)[C@@]1(C)CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208939975 1371953721 /nfs/dbraw/zinc/95/37/21/1371953721.db2.gz MUJYCCOFZXEDCG-FPOVZHCZSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)[C@@]1(C)CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939975 1371953723 /nfs/dbraw/zinc/95/37/23/1371953723.db2.gz MUJYCCOFZXEDCG-FPOVZHCZSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)[C@]1(C)CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939977 1371955301 /nfs/dbraw/zinc/95/53/01/1371955301.db2.gz MUJYCCOFZXEDCG-TZIWHRDSSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)[C@]1(C)CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208939977 1371955304 /nfs/dbraw/zinc/95/53/04/1371955304.db2.gz MUJYCCOFZXEDCG-TZIWHRDSSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)[C@]1(C)CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939977 1371955306 /nfs/dbraw/zinc/95/53/06/1371955306.db2.gz MUJYCCOFZXEDCG-TZIWHRDSSA-N 2 1 344.499 3.174 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC001208940774 1371956293 /nfs/dbraw/zinc/95/62/93/1371956293.db2.gz GOOAHXBBXFSJPZ-HSZRJFAPSA-N 2 1 349.522 3.326 20 0 EGADMP C[N@@H+](C1CC1)[C@H]1CCN(C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208942899 1371956800 /nfs/dbraw/zinc/95/68/00/1371956800.db2.gz JXMWGCLBYVHEIJ-FPOVZHCZSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+](C1CC1)[C@H]1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208942899 1371956806 /nfs/dbraw/zinc/95/68/06/1371956806.db2.gz JXMWGCLBYVHEIJ-FPOVZHCZSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+](C1CC1)[C@H]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208942899 1371956816 /nfs/dbraw/zinc/95/68/16/1371956816.db2.gz JXMWGCLBYVHEIJ-FPOVZHCZSA-N 2 1 327.516 3.067 20 0 EGADMP CCC[N@@H+]1C[C@H]2CN(C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208942982 1371957497 /nfs/dbraw/zinc/95/74/97/1371957497.db2.gz KONPKYDKMQBROS-VSKRKVRLSA-N 2 1 341.543 3.172 20 0 EGADMP CCC[NH+]1C[C@H]2CN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208942982 1371957500 /nfs/dbraw/zinc/95/75/00/1371957500.db2.gz KONPKYDKMQBROS-VSKRKVRLSA-N 2 1 341.543 3.172 20 0 EGADMP CCC[NH+]1C[C@H]2CN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208942982 1371957503 /nfs/dbraw/zinc/95/75/03/1371957503.db2.gz KONPKYDKMQBROS-VSKRKVRLSA-N 2 1 341.543 3.172 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CCC([NH+]4CCC4)CC3)C2)cc1 ZINC001208945816 1371959491 /nfs/dbraw/zinc/95/94/91/1371959491.db2.gz DSOQRGVYZWLARO-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CC[C@H]4OCCC[C@@H]4C3)C2)cc1 ZINC001208948218 1371959628 /nfs/dbraw/zinc/95/96/28/1371959628.db2.gz OTMPYPLJGLLYGE-NJDAHSKKSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CC[C@H]4OCCC[C@@H]4C3)C2)cc1 ZINC001208948218 1371959630 /nfs/dbraw/zinc/95/96/30/1371959630.db2.gz OTMPYPLJGLLYGE-NJDAHSKKSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)C2)cc1 ZINC001208948218 1371959631 /nfs/dbraw/zinc/95/96/31/1371959631.db2.gz OTMPYPLJGLLYGE-NJDAHSKKSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CC[C@H]4OCCC[C@@H]4C3)C2)cc1 ZINC001208948218 1371959633 /nfs/dbraw/zinc/95/96/33/1371959633.db2.gz OTMPYPLJGLLYGE-NJDAHSKKSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](CN3CCCC[C@H]3C[NH+]3CCCC3)C2)cc1 ZINC001208950290 1371960328 /nfs/dbraw/zinc/96/03/28/1371960328.db2.gz RLBKPFFSURCFOV-YADHBBJMSA-N 2 1 341.543 3.459 20 0 EGADMP C[N@H+]1CCN(C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC001208949639 1371960553 /nfs/dbraw/zinc/96/05/53/1371960553.db2.gz MNFCFMYZJAKXSL-JTHBVZDNSA-N 2 1 349.522 3.497 20 0 EGADMP C[NH+]1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC001208949639 1371960557 /nfs/dbraw/zinc/96/05/57/1371960557.db2.gz MNFCFMYZJAKXSL-JTHBVZDNSA-N 2 1 349.522 3.497 20 0 EGADMP C[NH+]1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC001208949639 1371960559 /nfs/dbraw/zinc/96/05/59/1371960559.db2.gz MNFCFMYZJAKXSL-JTHBVZDNSA-N 2 1 349.522 3.497 20 0 EGADMP CCOC(=O)[C@H]1CCCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208953648 1371961301 /nfs/dbraw/zinc/96/13/01/1371961301.db2.gz RFHFQGJBPTUCOB-PMACEKPBSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)[C@H]1CCCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208953648 1371961305 /nfs/dbraw/zinc/96/13/05/1371961305.db2.gz RFHFQGJBPTUCOB-PMACEKPBSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)[C@H]1CCCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208953648 1371961307 /nfs/dbraw/zinc/96/13/07/1371961307.db2.gz RFHFQGJBPTUCOB-PMACEKPBSA-N 2 1 344.499 3.174 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](CCCc4ccncc4)C[C@H]3C2)cc1 ZINC001209186383 1372030746 /nfs/dbraw/zinc/03/07/46/1372030746.db2.gz XXRASHPJLOCDPE-SZPZYZBQSA-N 2 1 335.495 3.386 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](CCCc4ccncc4)C[C@H]3C2)cc1 ZINC001209186383 1372030751 /nfs/dbraw/zinc/03/07/51/1372030751.db2.gz XXRASHPJLOCDPE-SZPZYZBQSA-N 2 1 335.495 3.386 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](CCCc4ccncc4)C[C@H]3C2)cc1 ZINC001209186383 1372030753 /nfs/dbraw/zinc/03/07/53/1372030753.db2.gz XXRASHPJLOCDPE-SZPZYZBQSA-N 2 1 335.495 3.386 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001209206186 1372038786 /nfs/dbraw/zinc/03/87/86/1372038786.db2.gz YUTDQOKCTMQIJO-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001121791298 1372082198 /nfs/dbraw/zinc/08/21/98/1372082198.db2.gz KSNKRWULZWKWEQ-BQYQJAHWSA-N 2 1 349.563 3.338 20 0 EGADMP COc1cccc(O[C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC001209448607 1372108598 /nfs/dbraw/zinc/10/85/98/1372108598.db2.gz FNLDWBGAVFTENR-HXUWFJFHSA-N 2 1 332.488 3.414 20 0 EGADMP COc1cccc(O[C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC001209448607 1372108600 /nfs/dbraw/zinc/10/86/00/1372108600.db2.gz FNLDWBGAVFTENR-HXUWFJFHSA-N 2 1 332.488 3.414 20 0 EGADMP CCOC[C@H]1COCCC12CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209451329 1372108889 /nfs/dbraw/zinc/10/88/89/1372108889.db2.gz WISCTRLOLLROLZ-IBGZPJMESA-N 2 1 338.536 3.018 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cc(C)ccc2C)C[C@H]1C ZINC001209642178 1372159819 /nfs/dbraw/zinc/15/98/19/1372159819.db2.gz CITUJQMHYZNDSA-WSTZPKSXSA-N 2 1 345.531 3.143 20 0 EGADMP Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)c1 ZINC001209659223 1372163676 /nfs/dbraw/zinc/16/36/76/1372163676.db2.gz ABJAHCGQPKKKKZ-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001209691863 1372171308 /nfs/dbraw/zinc/17/13/08/1372171308.db2.gz ZFXMCGBNLKNTLF-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001209691391 1372171854 /nfs/dbraw/zinc/17/18/54/1372171854.db2.gz VGVICTUPQWSSKC-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP Cn1cc(-c2ccc(C3CC[NH+](Cc4c[nH+]ccc4N)CC3)cc2)cn1 ZINC001209733981 1372179594 /nfs/dbraw/zinc/17/95/94/1372179594.db2.gz YGMWQDASBDKBCX-UHFFFAOYSA-N 2 1 347.466 3.274 20 0 EGADMP CC(C)N1CCOC[C@@]2(CCC[N@H+](Cc3ccccc3N(C)C)C2)C1 ZINC001209773147 1372191196 /nfs/dbraw/zinc/19/11/96/1372191196.db2.gz CFTROOOSTOOYHR-OAQYLSRUSA-N 2 1 345.531 3.075 20 0 EGADMP CC(C)N1CCOC[C@@]2(CCC[N@@H+](Cc3ccccc3N(C)C)C2)C1 ZINC001209773147 1372191198 /nfs/dbraw/zinc/19/11/98/1372191198.db2.gz CFTROOOSTOOYHR-OAQYLSRUSA-N 2 1 345.531 3.075 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccccc3N(C)C)C2)C1 ZINC001209773147 1372191202 /nfs/dbraw/zinc/19/12/02/1372191202.db2.gz CFTROOOSTOOYHR-OAQYLSRUSA-N 2 1 345.531 3.075 20 0 EGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccccc3N(C)C)C2)C1 ZINC001209773147 1372191205 /nfs/dbraw/zinc/19/12/05/1372191205.db2.gz CFTROOOSTOOYHR-OAQYLSRUSA-N 2 1 345.531 3.075 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccccc3N(C)C)C2)C1 ZINC001209773147 1372191212 /nfs/dbraw/zinc/19/12/12/1372191212.db2.gz CFTROOOSTOOYHR-OAQYLSRUSA-N 2 1 345.531 3.075 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccccc3N(C)C)C2)C1 ZINC001209773147 1372191214 /nfs/dbraw/zinc/19/12/14/1372191214.db2.gz CFTROOOSTOOYHR-OAQYLSRUSA-N 2 1 345.531 3.075 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210178884 1372288811 /nfs/dbraw/zinc/28/88/11/1372288811.db2.gz DQBUATLGKBTRRE-IBAHQSOCSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001210178884 1372288817 /nfs/dbraw/zinc/28/88/17/1372288817.db2.gz DQBUATLGKBTRRE-IBAHQSOCSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001210178884 1372288818 /nfs/dbraw/zinc/28/88/18/1372288818.db2.gz DQBUATLGKBTRRE-IBAHQSOCSA-N 2 1 349.563 3.434 20 0 EGADMP Cc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)n(-c2cccc(C)c2)n1 ZINC001210263343 1372308584 /nfs/dbraw/zinc/30/85/84/1372308584.db2.gz ZAQCFSZNCKAGIM-UHFFFAOYSA-N 2 1 348.454 3.037 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)c2ccccc2C)C[C@H]1C ZINC001210485397 1372364844 /nfs/dbraw/zinc/36/48/44/1372364844.db2.gz JIWZVOSZPUGWNP-QWFCFKBJSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccccc2C)C[C@H]1C ZINC001210485397 1372364848 /nfs/dbraw/zinc/36/48/48/1372364848.db2.gz JIWZVOSZPUGWNP-QWFCFKBJSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccccc2C)C[C@H]1C ZINC001210485397 1372364852 /nfs/dbraw/zinc/36/48/52/1372364852.db2.gz JIWZVOSZPUGWNP-QWFCFKBJSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001210796797 1372427884 /nfs/dbraw/zinc/42/78/84/1372427884.db2.gz KJCNAJZEXGXVJM-ICSRJNTNSA-N 2 1 345.531 3.369 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001211257586 1372514050 /nfs/dbraw/zinc/51/40/50/1372514050.db2.gz UASWCXUWTSBIKM-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214852820 1373130271 /nfs/dbraw/zinc/13/02/71/1373130271.db2.gz KFCCYIOVKSSEPI-BHIYHBOVSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326583335 1388247947 /nfs/dbraw/zinc/24/79/47/1388247947.db2.gz GZUGATZKRZMZTN-AWEZNQCLSA-N 2 1 335.879 3.133 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215567670 1373213323 /nfs/dbraw/zinc/21/33/23/1373213323.db2.gz DBQKKHYJSWHAKD-KZNAEPCWSA-N 2 1 339.568 3.083 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCC2)C1 ZINC001215778176 1373237261 /nfs/dbraw/zinc/23/72/61/1373237261.db2.gz CRWBMVJUNZLKKG-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2)C1 ZINC001215973030 1373252883 /nfs/dbraw/zinc/25/28/83/1373252883.db2.gz MDWKYBJLVFWVAV-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC=C(C)C)C1 ZINC001216323840 1373300314 /nfs/dbraw/zinc/30/03/14/1373300314.db2.gz LQJDRVCXLBVVGA-QRVBRYPASA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001216502525 1373312510 /nfs/dbraw/zinc/31/25/10/1373312510.db2.gz FWTBHXQZQACLIO-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](OCC[C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC001217931241 1373513996 /nfs/dbraw/zinc/51/39/96/1373513996.db2.gz STKKEPOUABILRN-PMXSJFBMSA-N 2 1 328.500 3.303 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OCc1ccc2c(c1)CC[NH2+]C2 ZINC001217939107 1373514357 /nfs/dbraw/zinc/51/43/57/1373514357.db2.gz KZMWNJBFKMGSMZ-JTSKRJEESA-N 2 1 336.479 3.369 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001218024913 1373540723 /nfs/dbraw/zinc/54/07/23/1373540723.db2.gz QIOAEKWKZZKPNL-WBMJQRKESA-N 2 1 341.293 3.278 20 0 EGADMP c1ccc(C[N@@H+]2CCc3ccc(O[C@H]4CC[C@]45CC[NH2+]C5)nc3C2)cc1 ZINC001218114727 1373563413 /nfs/dbraw/zinc/56/34/13/1373563413.db2.gz CZUXYCQZMXPOBP-RBBKRZOGSA-N 2 1 349.478 3.161 20 0 EGADMP c1ccc(C[N@H+]2CCc3ccc(O[C@H]4CC[C@]45CC[NH2+]C5)nc3C2)cc1 ZINC001218114727 1373563416 /nfs/dbraw/zinc/56/34/16/1373563416.db2.gz CZUXYCQZMXPOBP-RBBKRZOGSA-N 2 1 349.478 3.161 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]CCC1CCCCC1 ZINC001130622418 1373570927 /nfs/dbraw/zinc/57/09/27/1373570927.db2.gz HQABINHQJMTDAM-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+][C@H]1CCc2ccccc21 ZINC001130622541 1373571870 /nfs/dbraw/zinc/57/18/70/1373571870.db2.gz OBMVYBKLZGYAFG-IBGZPJMESA-N 2 1 343.515 3.033 20 0 EGADMP c1ccc(C[N@@H+]2CCc3ccc(O[C@@H]4C[C@H]5CC[NH2+][C@@H]5C4)nc3C2)cc1 ZINC001218252676 1373584103 /nfs/dbraw/zinc/58/41/03/1373584103.db2.gz UOGLBDKSYIUEIM-VAMGGRTRSA-N 2 1 349.478 3.159 20 0 EGADMP c1ccc(C[N@H+]2CCc3ccc(O[C@@H]4C[C@H]5CC[NH2+][C@@H]5C4)nc3C2)cc1 ZINC001218252676 1373584106 /nfs/dbraw/zinc/58/41/06/1373584106.db2.gz UOGLBDKSYIUEIM-VAMGGRTRSA-N 2 1 349.478 3.159 20 0 EGADMP C[C@H]1CC[C@@H](Oc2ccc(Br)c(C[NH+](C)C)c2)C[NH2+]1 ZINC001218401356 1373608066 /nfs/dbraw/zinc/60/80/66/1373608066.db2.gz GUWRRGYBUHESNI-SMDDNHRTSA-N 2 1 327.266 3.030 20 0 EGADMP [NH3+]CCc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC001218410757 1373609523 /nfs/dbraw/zinc/60/95/23/1373609523.db2.gz MOBSNSDOGSDXDT-GOSISDBHSA-N 2 1 330.859 3.495 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001218846918 1373660561 /nfs/dbraw/zinc/66/05/61/1373660561.db2.gz DALPSVVFWBJRHR-WOJBJXKFSA-N 2 1 335.451 3.268 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001218846918 1373660563 /nfs/dbraw/zinc/66/05/63/1373660563.db2.gz DALPSVVFWBJRHR-WOJBJXKFSA-N 2 1 335.451 3.268 20 0 EGADMP C[C@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)CCc3cnc[nH]3)CCC2)C1 ZINC001326835195 1388325484 /nfs/dbraw/zinc/32/54/84/1388325484.db2.gz SAHDQWWGNSBOHZ-DLBZAZTESA-N 2 1 346.519 3.187 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](OCCC[NH+]4CCCC4)[C@H]3C2)cc1 ZINC001224746367 1375074407 /nfs/dbraw/zinc/07/44/07/1375074407.db2.gz APQZZUDVHCYKRX-ACRUOGEOSA-N 2 1 328.500 3.400 20 0 EGADMP CCCCCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001224795473 1375077219 /nfs/dbraw/zinc/07/72/19/1375077219.db2.gz IKFCVKXDQVUDBO-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225578022 1375126485 /nfs/dbraw/zinc/12/64/85/1375126485.db2.gz OGKONGZSRXLLDR-HXUWFJFHSA-N 2 1 345.531 3.308 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCCC1CCCC1 ZINC001132105937 1375151100 /nfs/dbraw/zinc/15/11/00/1375151100.db2.gz OPVKGRFTCVHZCU-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCCC1CCCC1 ZINC001132105937 1375151101 /nfs/dbraw/zinc/15/11/01/1375151101.db2.gz OPVKGRFTCVHZCU-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCCC1CCCC1 ZINC001132105937 1375151102 /nfs/dbraw/zinc/15/11/02/1375151102.db2.gz OPVKGRFTCVHZCU-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CC1CCCCC1 ZINC001132110667 1375153223 /nfs/dbraw/zinc/15/32/23/1375153223.db2.gz KUZPXCGMMYITPI-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CC1CCCCC1 ZINC001132110667 1375153225 /nfs/dbraw/zinc/15/32/25/1375153225.db2.gz KUZPXCGMMYITPI-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CC1CCCCC1 ZINC001132110667 1375153229 /nfs/dbraw/zinc/15/32/29/1375153229.db2.gz KUZPXCGMMYITPI-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132128166 1375159602 /nfs/dbraw/zinc/15/96/02/1375159602.db2.gz JNCDQCPSOHFFSZ-OALUTQOASA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CCCC(C)(C)C ZINC001132149095 1375170930 /nfs/dbraw/zinc/17/09/30/1375170930.db2.gz FWDHDMDOXCRPPM-MSOLQXFVSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C)cc2)C1 ZINC001132154062 1375173923 /nfs/dbraw/zinc/17/39/23/1375173923.db2.gz WONXLYPNCPXWMZ-IEBWSBKVSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2)C1 ZINC001132154062 1375173926 /nfs/dbraw/zinc/17/39/26/1375173926.db2.gz WONXLYPNCPXWMZ-IEBWSBKVSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)cc2)C1 ZINC001132154062 1375173928 /nfs/dbraw/zinc/17/39/28/1375173928.db2.gz WONXLYPNCPXWMZ-IEBWSBKVSA-N 2 1 345.531 3.194 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@H+]1CC1CC1 ZINC001132206639 1375208998 /nfs/dbraw/zinc/20/89/98/1375208998.db2.gz MLKXXCWUUBUCLT-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[NH+]1CC1CC1 ZINC001132206639 1375209001 /nfs/dbraw/zinc/20/90/01/1375209001.db2.gz MLKXXCWUUBUCLT-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[NH+]1CC1CC1 ZINC001132206639 1375209009 /nfs/dbraw/zinc/20/90/09/1375209009.db2.gz MLKXXCWUUBUCLT-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001132214233 1375213482 /nfs/dbraw/zinc/21/34/82/1375213482.db2.gz DVSXUNCXIGUWSU-ROUUACIJSA-N 2 1 337.552 3.410 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001226162269 1375214075 /nfs/dbraw/zinc/21/40/75/1375214075.db2.gz YRSVUCXZOYHDAA-QRVBRYPASA-N 2 1 337.552 3.312 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001226334388 1375242007 /nfs/dbraw/zinc/24/20/07/1375242007.db2.gz SWWFHOZXFHDHSI-CYKMHDRDSA-N 2 1 335.536 3.090 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132265213 1375253897 /nfs/dbraw/zinc/25/38/97/1375253897.db2.gz JQCHMUXUMYVEAM-HNGSOEQISA-N 2 1 335.536 3.044 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)c(C)c1 ZINC001132269521 1375257508 /nfs/dbraw/zinc/25/75/08/1375257508.db2.gz LGVNXBCCTCLWOG-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1CCC1CCCCCC1 ZINC001132277082 1375261649 /nfs/dbraw/zinc/26/16/49/1375261649.db2.gz AQIPEPXTDPXVIC-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@@H+]1CCC[C@H](Oc2ccc3c(n2)CC[NH+](Cc2ccccc2)C3)C1 ZINC001226743081 1375322158 /nfs/dbraw/zinc/32/21/58/1375322158.db2.gz MXAOZZXAOYGMFO-IBGZPJMESA-N 2 1 337.467 3.113 20 0 EGADMP C[N@H+]1CCC[C@H](Oc2ccc3c(n2)CC[NH+](Cc2ccccc2)C3)C1 ZINC001226743081 1375322165 /nfs/dbraw/zinc/32/21/65/1375322165.db2.gz MXAOZZXAOYGMFO-IBGZPJMESA-N 2 1 337.467 3.113 20 0 EGADMP C[NH+]1CCC[C@H](Oc2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001226743081 1375322174 /nfs/dbraw/zinc/32/21/74/1375322174.db2.gz MXAOZZXAOYGMFO-IBGZPJMESA-N 2 1 337.467 3.113 20 0 EGADMP C[NH+]1CCC[C@H](Oc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C1 ZINC001226743081 1375322184 /nfs/dbraw/zinc/32/21/84/1375322184.db2.gz MXAOZZXAOYGMFO-IBGZPJMESA-N 2 1 337.467 3.113 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001226765485 1375329131 /nfs/dbraw/zinc/32/91/31/1375329131.db2.gz DDSSRHSCICCRHR-GUDVDZBRSA-N 2 1 337.552 3.312 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001132367765 1375333081 /nfs/dbraw/zinc/33/30/81/1375333081.db2.gz FUNAURNHIYDCBI-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001132381004 1375339947 /nfs/dbraw/zinc/33/99/47/1375339947.db2.gz SXRYSSDXAPQYPV-OBNUAKFSSA-N 2 1 335.536 3.044 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001226889840 1375352744 /nfs/dbraw/zinc/35/27/44/1375352744.db2.gz CWXAFJRPYKAYDD-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP Cc1ccccc1C[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132434011 1375377962 /nfs/dbraw/zinc/37/79/62/1375377962.db2.gz SOPAIXWDUPMWAD-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1Cc1cccc(F)c1 ZINC001132434479 1375378392 /nfs/dbraw/zinc/37/83/92/1375378392.db2.gz XJJJJRMPMNSVGP-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CCC(C)(C)C)C1 ZINC001132435085 1375380233 /nfs/dbraw/zinc/38/02/33/1375380233.db2.gz AXGUCSWTYIVSKI-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001132435085 1375380239 /nfs/dbraw/zinc/38/02/39/1375380239.db2.gz AXGUCSWTYIVSKI-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC(C)(C)C)C1 ZINC001132435085 1375380244 /nfs/dbraw/zinc/38/02/44/1375380244.db2.gz AXGUCSWTYIVSKI-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CC3(CCC3)C2)C1 ZINC001132436381 1375381178 /nfs/dbraw/zinc/38/11/78/1375381178.db2.gz LCAFGVGNXKYMMJ-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CC3(CCC3)C2)C1 ZINC001132436381 1375381186 /nfs/dbraw/zinc/38/11/86/1375381186.db2.gz LCAFGVGNXKYMMJ-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001132436381 1375381192 /nfs/dbraw/zinc/38/11/92/1375381192.db2.gz LCAFGVGNXKYMMJ-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132436096 1375381508 /nfs/dbraw/zinc/38/15/08/1375381508.db2.gz IQQLGVVWYLABRK-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cc(C)ccc2C)C1 ZINC001132437155 1375382146 /nfs/dbraw/zinc/38/21/46/1375382146.db2.gz QWPAVOUAQDHMIR-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C)ccc2C)C1 ZINC001132437155 1375382148 /nfs/dbraw/zinc/38/21/48/1375382148.db2.gz QWPAVOUAQDHMIR-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001132437155 1375382150 /nfs/dbraw/zinc/38/21/50/1375382150.db2.gz QWPAVOUAQDHMIR-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2c(C)cccc2C)C1 ZINC001132440447 1375383105 /nfs/dbraw/zinc/38/31/05/1375383105.db2.gz AMWKHYLBOXMBFG-MOPGFXCFSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2c(C)cccc2C)C1 ZINC001132440447 1375383112 /nfs/dbraw/zinc/38/31/12/1375383112.db2.gz AMWKHYLBOXMBFG-MOPGFXCFSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2c(C)cccc2C)C1 ZINC001132440447 1375383118 /nfs/dbraw/zinc/38/31/18/1375383118.db2.gz AMWKHYLBOXMBFG-MOPGFXCFSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132442038 1375386856 /nfs/dbraw/zinc/38/68/56/1375386856.db2.gz VWPHVFJFRZVWDA-PKOBYXMFSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001132442038 1375386859 /nfs/dbraw/zinc/38/68/59/1375386859.db2.gz VWPHVFJFRZVWDA-PKOBYXMFSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001132442038 1375386862 /nfs/dbraw/zinc/38/68/62/1375386862.db2.gz VWPHVFJFRZVWDA-PKOBYXMFSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132442348 1375387147 /nfs/dbraw/zinc/38/71/47/1375387147.db2.gz ZXJGRENRQDKPML-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001132442348 1375387150 /nfs/dbraw/zinc/38/71/50/1375387150.db2.gz ZXJGRENRQDKPML-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001132442348 1375387156 /nfs/dbraw/zinc/38/71/56/1375387156.db2.gz ZXJGRENRQDKPML-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC001227150644 1375397981 /nfs/dbraw/zinc/39/79/81/1375397981.db2.gz XDQGHSRZCCMRGZ-QZTJIDSGSA-N 2 1 349.494 3.073 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132519476 1375437325 /nfs/dbraw/zinc/43/73/25/1375437325.db2.gz ZLWQBGZMWRKQDA-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CCC(C)(C)C ZINC001132518950 1375437546 /nfs/dbraw/zinc/43/75/46/1375437546.db2.gz QLWOALSKIGSMSF-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CCCC1CCC1 ZINC001132525756 1375441612 /nfs/dbraw/zinc/44/16/12/1375441612.db2.gz VBBOMWBROLJFHI-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541141 1375448733 /nfs/dbraw/zinc/44/87/33/1375448733.db2.gz AOQJEYHSLPMPPA-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541141 1375448735 /nfs/dbraw/zinc/44/87/35/1375448735.db2.gz AOQJEYHSLPMPPA-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP CCCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541141 1375448738 /nfs/dbraw/zinc/44/87/38/1375448738.db2.gz AOQJEYHSLPMPPA-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP CCCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541141 1375448742 /nfs/dbraw/zinc/44/87/42/1375448742.db2.gz AOQJEYHSLPMPPA-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541902 1375450165 /nfs/dbraw/zinc/45/01/65/1375450165.db2.gz MOPOFQGSOIZCEZ-ICSRJNTNSA-N 2 1 343.515 3.054 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541902 1375450167 /nfs/dbraw/zinc/45/01/67/1375450167.db2.gz MOPOFQGSOIZCEZ-ICSRJNTNSA-N 2 1 343.515 3.054 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541902 1375450170 /nfs/dbraw/zinc/45/01/70/1375450170.db2.gz MOPOFQGSOIZCEZ-ICSRJNTNSA-N 2 1 343.515 3.054 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541902 1375450173 /nfs/dbraw/zinc/45/01/73/1375450173.db2.gz MOPOFQGSOIZCEZ-ICSRJNTNSA-N 2 1 343.515 3.054 20 0 EGADMP CCCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001227792035 1375474775 /nfs/dbraw/zinc/47/47/75/1375474775.db2.gz JSYIVQWDRWUUDH-IBGZPJMESA-N 2 1 335.536 3.164 20 0 EGADMP CC/C=C\CC[NH+]1CCC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001227792779 1375475439 /nfs/dbraw/zinc/47/54/39/1375475439.db2.gz VPLLKXPAHNPNJY-SFFCAUCYSA-N 2 1 335.536 3.186 20 0 EGADMP CCC/C=C\CC[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001227876775 1375485595 /nfs/dbraw/zinc/48/55/95/1375485595.db2.gz KOHSTBFLDTVNOO-VOFKWLDRSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001228039860 1375508438 /nfs/dbraw/zinc/50/84/38/1375508438.db2.gz QDWBYGGCWHQLLE-UHFFFAOYSA-N 2 1 345.531 3.114 20 0 EGADMP CCC(CC)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132938620 1375657952 /nfs/dbraw/zinc/65/79/52/1375657952.db2.gz WODKGNKVJQGUIB-AEFFLSMTSA-N 2 1 339.568 3.227 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCC(C)C)C1 ZINC001132938668 1375659339 /nfs/dbraw/zinc/65/93/39/1375659339.db2.gz XXLYDPCQQMQPTG-MSOLQXFVSA-N 2 1 339.568 3.227 20 0 EGADMP CC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001229126009 1375768978 /nfs/dbraw/zinc/76/89/78/1375768978.db2.gz DSCVYMGUPYFWNA-CGTJXYLNSA-N 2 1 334.508 3.035 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001229127023 1375770667 /nfs/dbraw/zinc/77/06/67/1375770667.db2.gz QPXHEIGMXBQULQ-RTBURBONSA-N 2 1 348.535 3.425 20 0 EGADMP C[N@@H+](CC(=O)NC1CC[NH+](CCCC2CCC2)CC1)CC(C)(C)C ZINC001229215103 1375789364 /nfs/dbraw/zinc/78/93/64/1375789364.db2.gz MYSZLMMNROWTDX-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CC(C)C ZINC001229852495 1375904669 /nfs/dbraw/zinc/90/46/69/1375904669.db2.gz KCJVPDKVPYFMPZ-GUDVDZBRSA-N 2 1 339.568 3.418 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001230107467 1375943451 /nfs/dbraw/zinc/94/34/51/1375943451.db2.gz GOUNMUIERXFVFO-INIZCTEOSA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC001230284805 1375985172 /nfs/dbraw/zinc/98/51/72/1375985172.db2.gz VTUJRDLCRWASHR-XUVXKRRUSA-N 2 1 343.515 3.031 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)c1ccc(C(C)(C)C)cc1 ZINC001133823600 1376219396 /nfs/dbraw/zinc/21/93/96/1376219396.db2.gz KIMZPQBBRXPPCM-SJORKVTESA-N 2 1 345.531 3.235 20 0 EGADMP Clc1ccc(OC2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)nn1 ZINC001232016792 1376386847 /nfs/dbraw/zinc/38/68/47/1376386847.db2.gz HQNGSUAXYDSPBW-UHFFFAOYSA-N 2 1 343.818 3.050 20 0 EGADMP Cc1cnc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(Br)c1 ZINC001232177647 1376414088 /nfs/dbraw/zinc/41/40/88/1376414088.db2.gz YIRALBKYTLEPBZ-UHFFFAOYSA-N 2 1 338.293 3.070 20 0 EGADMP Nc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001232369919 1376451447 /nfs/dbraw/zinc/45/14/47/1376451447.db2.gz GDHCQIAMDMTASF-UXHICEINSA-N 2 1 336.483 3.008 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc2ccsc2c1 ZINC001232613397 1376488754 /nfs/dbraw/zinc/48/87/54/1376488754.db2.gz OBVZHCPHYAMCGP-ZWKOTPCHSA-N 2 1 329.513 3.112 20 0 EGADMP COc1cc(O)cc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001232805111 1376518515 /nfs/dbraw/zinc/51/85/15/1376518515.db2.gz UQYFKBTTYXWPFA-GOSISDBHSA-N 2 1 340.467 3.355 20 0 EGADMP Cc1cccc(C)c1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134607874 1376622359 /nfs/dbraw/zinc/62/23/59/1376622359.db2.gz MZAYFQITROKOGW-ZWKOTPCHSA-N 2 1 345.531 3.161 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CCCC1CCCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612367 1376624125 /nfs/dbraw/zinc/62/41/25/1376624125.db2.gz LREWMWBJVQSKIR-IAGOWNOFSA-N 2 1 337.552 3.314 20 0 EGADMP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)c(C)c1 ZINC001134612170 1376624743 /nfs/dbraw/zinc/62/47/43/1376624743.db2.gz IUVZKEOBVBGJRW-MSOLQXFVSA-N 2 1 345.531 3.161 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCNC(=O)CCn2cc[nH+]c2C(C)C)c1 ZINC001134725437 1376678468 /nfs/dbraw/zinc/67/84/68/1376678468.db2.gz CVMXPVYXDMJROD-KRWDZBQOSA-N 2 1 342.487 3.172 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001134723319 1376679019 /nfs/dbraw/zinc/67/90/19/1376679019.db2.gz CKKYMCGYSCXTBI-UHFFFAOYSA-N 2 1 348.535 3.319 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001134762791 1376707266 /nfs/dbraw/zinc/70/72/66/1376707266.db2.gz GTLBCYDATKYUNL-MJGOQNOKSA-N 2 1 331.504 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CCCC1 ZINC001134773950 1376713151 /nfs/dbraw/zinc/71/31/51/1376713151.db2.gz SENNOOMWRZCSPQ-HOTGVXAUSA-N 2 1 325.541 3.170 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CCCC1 ZINC001134773949 1376713168 /nfs/dbraw/zinc/71/31/68/1376713168.db2.gz SENNOOMWRZCSPQ-CVEARBPZSA-N 2 1 325.541 3.170 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001134773178 1376713271 /nfs/dbraw/zinc/71/32/71/1376713271.db2.gz NAJHSLXDYPIKMH-IAGOWNOFSA-N 2 1 333.520 3.098 20 0 EGADMP Fc1cccc2c(C[N@@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cccc12 ZINC001235021780 1376829060 /nfs/dbraw/zinc/82/90/60/1376829060.db2.gz JPZXMWBWLMTQES-HXUWFJFHSA-N 2 1 328.431 3.181 20 0 EGADMP Fc1cccc2c(C[N@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cccc12 ZINC001235021780 1376829071 /nfs/dbraw/zinc/82/90/71/1376829071.db2.gz JPZXMWBWLMTQES-HXUWFJFHSA-N 2 1 328.431 3.181 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001135028112 1376856204 /nfs/dbraw/zinc/85/62/04/1376856204.db2.gz BQFDAEQITGDYSM-JKSUJKDBSA-N 2 1 334.508 3.035 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135032928 1376859882 /nfs/dbraw/zinc/85/98/82/1376859882.db2.gz HXXATWLUGCVZDZ-JKSUJKDBSA-N 2 1 346.519 3.035 20 0 EGADMP Clc1cc2c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c[nH]c2cn1 ZINC001235430268 1376871498 /nfs/dbraw/zinc/87/14/98/1376871498.db2.gz WJRRUWDYPHQMDN-UONOGXRCSA-N 2 1 332.879 3.428 20 0 EGADMP CCOc1nccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235430564 1376871683 /nfs/dbraw/zinc/87/16/83/1376871683.db2.gz IGTDYRUFNJILHN-GJZGRUSLSA-N 2 1 337.895 3.345 20 0 EGADMP CCOc1cc(OC)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430150 1376872685 /nfs/dbraw/zinc/87/26/85/1376872685.db2.gz FZXQVTNSNBQDJW-DLBZAZTESA-N 2 1 332.488 3.306 20 0 EGADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(CC[C@@H]2CCCC[NH2+]2)C3)c1 ZINC001235630275 1376878572 /nfs/dbraw/zinc/87/85/72/1376878572.db2.gz XLMOQCVKUUHOEH-LEWJYISDSA-N 2 1 345.506 3.398 20 0 EGADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(CC[C@H]2CCCC[NH2+]2)C3)c1 ZINC001235630276 1376878869 /nfs/dbraw/zinc/87/88/69/1376878869.db2.gz XLMOQCVKUUHOEH-NHCUHLMSSA-N 2 1 345.506 3.398 20 0 EGADMP c1ccc([C@@H]2CCC[N@H+](Cc3ccccc3N3CC[NH2+]CC3)C2)cc1 ZINC001235665501 1376882788 /nfs/dbraw/zinc/88/27/88/1376882788.db2.gz OENPTYMWFNYGLF-HXUWFJFHSA-N 2 1 335.495 3.476 20 0 EGADMP CC1([NH+]2CCN(Cc3cc4c(cccc4Cl)[nH]3)CC2)CC[NH2+]CC1 ZINC001235814758 1376897714 /nfs/dbraw/zinc/89/77/14/1376897714.db2.gz FRGUMUKIRUTHLQ-UHFFFAOYSA-N 2 1 346.906 3.081 20 0 EGADMP COCC[N@H+](CCc1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC001235947160 1376922207 /nfs/dbraw/zinc/92/22/07/1376922207.db2.gz XLKZLRXQOQKUSN-UHFFFAOYSA-N 2 1 331.287 3.236 20 0 EGADMP COCC[N@@H+](CCc1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC001235947160 1376922211 /nfs/dbraw/zinc/92/22/11/1376922211.db2.gz XLKZLRXQOQKUSN-UHFFFAOYSA-N 2 1 331.287 3.236 20 0 EGADMP COCC[N@H+](Cc1ccc(SC(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC001235946707 1376922146 /nfs/dbraw/zinc/92/21/46/1376922146.db2.gz QERLNRUCZLTIDI-UHFFFAOYSA-N 2 1 348.434 3.499 20 0 EGADMP COCC[N@@H+](Cc1ccc(SC(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC001235946707 1376922150 /nfs/dbraw/zinc/92/21/50/1376922150.db2.gz QERLNRUCZLTIDI-UHFFFAOYSA-N 2 1 348.434 3.499 20 0 EGADMP CNc1ncc(C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)s1 ZINC001236229047 1376943353 /nfs/dbraw/zinc/94/33/53/1376943353.db2.gz WKTZOIOIWJUZKC-UHFFFAOYSA-N 2 1 330.501 3.457 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001135305042 1377028604 /nfs/dbraw/zinc/02/86/04/1377028604.db2.gz GKHLRXCLQNUIKP-CQSZACIVSA-N 2 1 348.878 3.092 20 0 EGADMP Clc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCCC[C@@]13C[NH2+]CCO3)C2 ZINC001246160502 1377050401 /nfs/dbraw/zinc/05/04/01/1377050401.db2.gz NGKQAXKUCXCCKS-IPMKNSEASA-N 2 1 334.891 3.088 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2Cl)N(C)C)CC[NH2+]1 ZINC001246297715 1377051276 /nfs/dbraw/zinc/05/12/76/1377051276.db2.gz XJVKNASUZJJTKD-KFNAQCHYSA-N 2 1 330.303 3.326 20 0 EGADMP CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)C[C@H](CC)[NH2+]1 ZINC001246542648 1377052715 /nfs/dbraw/zinc/05/27/15/1377052715.db2.gz WPFCHHZHVJBBKJ-FXUDXRNXSA-N 2 1 326.481 3.322 20 0 EGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)C[C@H](CC)[NH2+]1 ZINC001246542648 1377052718 /nfs/dbraw/zinc/05/27/18/1377052718.db2.gz WPFCHHZHVJBBKJ-FXUDXRNXSA-N 2 1 326.481 3.322 20 0 EGADMP CC(C)CN1c2ccccc2[C@@H]2C[N@@H+](C3C[C@@H]4C=C[C@H](C3)[NH2+]4)CC[C@@H]21 ZINC001246763872 1377053880 /nfs/dbraw/zinc/05/38/80/1377053880.db2.gz IWBHAFODXPMIMR-XWYOSQMSSA-N 2 1 337.511 3.380 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001135437478 1377098282 /nfs/dbraw/zinc/09/82/82/1377098282.db2.gz VNQYMTSPQSRKTG-UHFFFAOYSA-N 2 1 339.568 3.421 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CCc1ccccc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135475663 1377110198 /nfs/dbraw/zinc/11/01/98/1377110198.db2.gz DNWOWHSBIDOPQN-ZWKOTPCHSA-N 2 1 347.547 3.080 20 0 EGADMP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481558 1377113835 /nfs/dbraw/zinc/11/38/35/1377113835.db2.gz VMTLWIYTVRAIEI-MOPGFXCFSA-N 2 1 345.531 3.000 20 0 EGADMP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481561 1377114133 /nfs/dbraw/zinc/11/41/33/1377114133.db2.gz VMTLWIYTVRAIEI-RTBURBONSA-N 2 1 345.531 3.000 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC001135583649 1377155249 /nfs/dbraw/zinc/15/52/49/1377155249.db2.gz BYHWSNPDWGNEDR-IAGOWNOFSA-N 2 1 348.535 3.460 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCCC1 ZINC001135586067 1377155754 /nfs/dbraw/zinc/15/57/54/1377155754.db2.gz WFBVIGRSQBVMIX-CVEARBPZSA-N 2 1 334.508 3.070 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266111138 1377189928 /nfs/dbraw/zinc/18/99/28/1377189928.db2.gz WYYMAAUSZZFBIG-ZWKOTPCHSA-N 2 1 325.541 3.076 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001266116333 1377194014 /nfs/dbraw/zinc/19/40/14/1377194014.db2.gz JLNGJBSJIPLWBU-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001135860898 1377238273 /nfs/dbraw/zinc/23/82/73/1377238273.db2.gz IWRSGCOORCUZAV-MOPGFXCFSA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135860550 1377238337 /nfs/dbraw/zinc/23/83/37/1377238337.db2.gz DKVTUEDZAQWWTP-MSOLQXFVSA-N 2 1 333.520 3.018 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266323015 1377273044 /nfs/dbraw/zinc/27/30/44/1377273044.db2.gz SEFVUBMKVKSBEA-YOEHRIQHSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266323015 1377273046 /nfs/dbraw/zinc/27/30/46/1377273046.db2.gz SEFVUBMKVKSBEA-YOEHRIQHSA-N 2 1 349.906 3.076 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CCC3CCCC3)C2)CCCCC1 ZINC001266333428 1377280101 /nfs/dbraw/zinc/28/01/01/1377280101.db2.gz MUMHVGWVMOILRX-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001135973720 1377282326 /nfs/dbraw/zinc/28/23/26/1377282326.db2.gz COGPEVPIQLDBGS-QZTJIDSGSA-N 2 1 333.520 3.100 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001135975691 1377283738 /nfs/dbraw/zinc/28/37/38/1377283738.db2.gz ARUSXAAYVMPFOV-GJZGRUSLSA-N 2 1 339.911 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135979021 1377284767 /nfs/dbraw/zinc/28/47/67/1377284767.db2.gz AXBWLYBYPYEINQ-ROUUACIJSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCc1ccccc1CC ZINC001135978977 1377284880 /nfs/dbraw/zinc/28/48/80/1377284880.db2.gz AGOOXONWJLRLKR-ROUUACIJSA-N 2 1 347.547 3.006 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC1CCC1 ZINC001135997190 1377293211 /nfs/dbraw/zinc/29/32/11/1377293211.db2.gz ZTDQOWNTIIYCBP-IRXDYDNUSA-N 2 1 325.541 3.172 20 0 EGADMP Clc1cncc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001136989763 1377452261 /nfs/dbraw/zinc/45/22/61/1377452261.db2.gz ROXKNSYUXMTWOA-UHFFFAOYSA-N 2 1 337.895 3.059 20 0 EGADMP Cc1ccc2nc(C[NH+]3CCC4(CC(N(C)C)=[NH+]O4)CC3)ccc2c1 ZINC001137214017 1377497662 /nfs/dbraw/zinc/49/76/62/1377497662.db2.gz BJGKQCHDQYNFRZ-UHFFFAOYSA-N 2 1 338.455 3.173 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001269234611 1377544545 /nfs/dbraw/zinc/54/45/45/1377544545.db2.gz BKCPRTNAHQTCPI-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c1F ZINC001137674954 1377588862 /nfs/dbraw/zinc/58/88/62/1377588862.db2.gz NGUHGGZLNORJMX-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c1F ZINC001137674954 1377588865 /nfs/dbraw/zinc/58/88/65/1377588865.db2.gz NGUHGGZLNORJMX-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1cccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1F ZINC001137674954 1377588870 /nfs/dbraw/zinc/58/88/70/1377588870.db2.gz NGUHGGZLNORJMX-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1cccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1F ZINC001137674954 1377588874 /nfs/dbraw/zinc/58/88/74/1377588874.db2.gz NGUHGGZLNORJMX-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1c[nH]c2ccc(Cl)cc12 ZINC001137711025 1377602055 /nfs/dbraw/zinc/60/20/55/1377602055.db2.gz DVCKNIAROIYRII-RBUKOAKNSA-N 2 1 346.906 3.032 20 0 EGADMP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC001272179180 1377660215 /nfs/dbraw/zinc/66/02/15/1377660215.db2.gz ZJDWGBXSGYOQPU-FQEVSTJZSA-N 2 1 345.531 3.087 20 0 EGADMP C[N@H+](Cc1ncccc1NC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001138405415 1377718590 /nfs/dbraw/zinc/71/85/90/1377718590.db2.gz KXGLRJNBYBTKSQ-UHFFFAOYSA-N 2 1 348.491 3.202 20 0 EGADMP COc1ccc2c(c1)c(C[N@H+]1CCC3(C1)CC[NH+](C)CC3)cn2C ZINC001139148005 1377839108 /nfs/dbraw/zinc/83/91/08/1377839108.db2.gz UAJWXQNZUYOJRF-UHFFFAOYSA-N 2 1 327.472 3.105 20 0 EGADMP Nc1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001139229564 1377856404 /nfs/dbraw/zinc/85/64/04/1377856404.db2.gz DCJOTCBOMSAZBY-IAGOWNOFSA-N 2 1 342.512 3.069 20 0 EGADMP Nc1ncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001139229564 1377856405 /nfs/dbraw/zinc/85/64/05/1377856405.db2.gz DCJOTCBOMSAZBY-IAGOWNOFSA-N 2 1 342.512 3.069 20 0 EGADMP Nc1ncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001139229564 1377856407 /nfs/dbraw/zinc/85/64/07/1377856407.db2.gz DCJOTCBOMSAZBY-IAGOWNOFSA-N 2 1 342.512 3.069 20 0 EGADMP CCCCC1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)s2)CC1 ZINC001139322208 1377867886 /nfs/dbraw/zinc/86/78/86/1377867886.db2.gz QSYKOEKAUONSCM-UHFFFAOYSA-N 2 1 336.549 3.297 20 0 EGADMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(F)c2ccccc12 ZINC001139891070 1377972439 /nfs/dbraw/zinc/97/24/39/1377972439.db2.gz OEZPZYAQXWOQRU-UHFFFAOYSA-N 2 1 346.446 3.296 20 0 EGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)c2ccccc12 ZINC001139891070 1377972442 /nfs/dbraw/zinc/97/24/42/1377972442.db2.gz OEZPZYAQXWOQRU-UHFFFAOYSA-N 2 1 346.446 3.296 20 0 EGADMP CC[C@H](C)N1CC[C@@]2(CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272716523 1378079465 /nfs/dbraw/zinc/07/94/65/1378079465.db2.gz GSGTUAGPAXMADB-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP C[N@H+]1CC[C@]2(CCN(Cc3ccc(OC(F)(F)F)c(F)c3)C2)C1 ZINC001140887550 1378169372 /nfs/dbraw/zinc/16/93/72/1378169372.db2.gz GCEOFESBVXHODH-HNNXBMFYSA-N 2 1 332.341 3.252 20 0 EGADMP Cc1c[nH]c(=O)c(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001276872569 1378190817 /nfs/dbraw/zinc/19/08/17/1378190817.db2.gz USWGOGKHEPMMJO-CALCHBBNSA-N 2 1 329.488 3.182 20 0 EGADMP Cc1c[nH]c(=O)c(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001276872569 1378190820 /nfs/dbraw/zinc/19/08/20/1378190820.db2.gz USWGOGKHEPMMJO-CALCHBBNSA-N 2 1 329.488 3.182 20 0 EGADMP Cc1c[nH]c(=O)c(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001276872569 1378190823 /nfs/dbraw/zinc/19/08/23/1378190823.db2.gz USWGOGKHEPMMJO-CALCHBBNSA-N 2 1 329.488 3.182 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC001140973207 1378197281 /nfs/dbraw/zinc/19/72/81/1378197281.db2.gz GRLWWTFJVNNVBT-OAQYLSRUSA-N 2 1 336.483 3.171 20 0 EGADMP C[NH+]1CCC(NC(=O)[C@H]2CCC[C@@]23CC[N@@H+](CCC(C)(C)C)C3)CC1 ZINC001277254603 1378213511 /nfs/dbraw/zinc/21/35/11/1378213511.db2.gz UXVSAUZVELZLKR-NQIIRXRSSA-N 2 1 349.563 3.125 20 0 EGADMP COc1ccc2nc(Cl)c(C[N@@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)cc2c1 ZINC001141063579 1378224788 /nfs/dbraw/zinc/22/47/88/1378224788.db2.gz WYOFMKQROMGDNJ-CJNGLKHVSA-N 2 1 345.874 3.280 20 0 EGADMP COc1ccc2nc(Cl)c(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)cc2c1 ZINC001141063579 1378224793 /nfs/dbraw/zinc/22/47/93/1378224793.db2.gz WYOFMKQROMGDNJ-CJNGLKHVSA-N 2 1 345.874 3.280 20 0 EGADMP COc1ccc2nc(Cl)c(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)cc2c1 ZINC001141063579 1378224799 /nfs/dbraw/zinc/22/47/99/1378224799.db2.gz WYOFMKQROMGDNJ-CJNGLKHVSA-N 2 1 345.874 3.280 20 0 EGADMP COc1ccc2nc(Cl)c(C[NH+]3C[C@H]4CC[N@@H+](C)C[C@H]4C3)cc2c1 ZINC001141063579 1378224801 /nfs/dbraw/zinc/22/48/01/1378224801.db2.gz WYOFMKQROMGDNJ-CJNGLKHVSA-N 2 1 345.874 3.280 20 0 EGADMP CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1COCCO1 ZINC001277524312 1378231119 /nfs/dbraw/zinc/23/11/19/1378231119.db2.gz GHPSAGPDTBHGCX-BGVWBIDGSA-N 2 1 338.536 3.203 20 0 EGADMP CCc1ccccc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001141224671 1378275401 /nfs/dbraw/zinc/27/54/01/1378275401.db2.gz HSDIUWHTYYEPRJ-VXKWHMMOSA-N 2 1 342.527 3.429 20 0 EGADMP COC(=O)Cc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001142908709 1378507978 /nfs/dbraw/zinc/50/79/78/1378507978.db2.gz HZSXWPTWGWYDLW-PMACEKPBSA-N 2 1 344.499 3.241 20 0 EGADMP COC(=O)Cc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001142908709 1378507979 /nfs/dbraw/zinc/50/79/79/1378507979.db2.gz HZSXWPTWGWYDLW-PMACEKPBSA-N 2 1 344.499 3.241 20 0 EGADMP COC(=O)Cc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cc1 ZINC001142908709 1378507980 /nfs/dbraw/zinc/50/79/80/1378507980.db2.gz HZSXWPTWGWYDLW-PMACEKPBSA-N 2 1 344.499 3.241 20 0 EGADMP C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001282494822 1378512870 /nfs/dbraw/zinc/51/28/70/1378512870.db2.gz QOOOCGDGUPWXLX-OALUTQOASA-N 2 1 345.531 3.450 20 0 EGADMP CCN(Cc1ccnc(NC(=O)OC(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC001143691781 1378635498 /nfs/dbraw/zinc/63/54/98/1378635498.db2.gz NDIVWOYXXUFSGJ-UHFFFAOYSA-N 2 1 348.491 3.345 20 0 EGADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001143769586 1378644564 /nfs/dbraw/zinc/64/45/64/1378644564.db2.gz JOXSCOUQBAKJQG-LJQANCHMSA-N 2 1 335.536 3.116 20 0 EGADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001143769586 1378644566 /nfs/dbraw/zinc/64/45/66/1378644566.db2.gz JOXSCOUQBAKJQG-LJQANCHMSA-N 2 1 335.536 3.116 20 0 EGADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001143769586 1378644568 /nfs/dbraw/zinc/64/45/68/1378644568.db2.gz JOXSCOUQBAKJQG-LJQANCHMSA-N 2 1 335.536 3.116 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OC(F)(F)F)cc3F)C[C@@H]2C1 ZINC001143789247 1378646445 /nfs/dbraw/zinc/64/64/45/1378646445.db2.gz OROWEVLZCKTGBG-YPMHNXCESA-N 2 1 332.341 3.108 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OC(F)(F)F)cc3F)C[C@@H]2C1 ZINC001143789247 1378646448 /nfs/dbraw/zinc/64/64/48/1378646448.db2.gz OROWEVLZCKTGBG-YPMHNXCESA-N 2 1 332.341 3.108 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3F)C[C@@H]2C1 ZINC001143789247 1378646451 /nfs/dbraw/zinc/64/64/51/1378646451.db2.gz OROWEVLZCKTGBG-YPMHNXCESA-N 2 1 332.341 3.108 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3F)C[C@@H]2C1 ZINC001143789247 1378646454 /nfs/dbraw/zinc/64/64/54/1378646454.db2.gz OROWEVLZCKTGBG-YPMHNXCESA-N 2 1 332.341 3.108 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3CN(Cc4[nH+]cn5ccccc45)C[C@@H]3C2)cc1 ZINC001144618422 1378751215 /nfs/dbraw/zinc/75/12/15/1378751215.db2.gz QXDYPKQRPVHCTA-PMACEKPBSA-N 2 1 346.478 3.207 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1c(C)cccc1C ZINC001147359331 1379009224 /nfs/dbraw/zinc/00/92/24/1379009224.db2.gz OTQMOTHHYMSCJY-FQEVSTJZSA-N 2 1 345.531 3.164 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccccc1CC ZINC001147359900 1379009477 /nfs/dbraw/zinc/00/94/77/1379009477.db2.gz WDFDDVHBOMRXLT-HXUWFJFHSA-N 2 1 345.531 3.109 20 0 EGADMP CCC/C=C/CC[NH2+]CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001147456945 1379025364 /nfs/dbraw/zinc/02/53/64/1379025364.db2.gz AHDWKWCYVHVHGP-IHHMQQGQSA-N 2 1 331.504 3.132 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001149137523 1379331827 /nfs/dbraw/zinc/33/18/27/1379331827.db2.gz CJEPNRHJJQNCEE-QUCCMNQESA-N 2 1 345.531 3.278 20 0 EGADMP CCC[NH+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001149137523 1379331831 /nfs/dbraw/zinc/33/18/31/1379331831.db2.gz CJEPNRHJJQNCEE-QUCCMNQESA-N 2 1 345.531 3.278 20 0 EGADMP CCC[NH+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001149137523 1379331839 /nfs/dbraw/zinc/33/18/39/1379331839.db2.gz CJEPNRHJJQNCEE-QUCCMNQESA-N 2 1 345.531 3.278 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC001152528315 1379945562 /nfs/dbraw/zinc/94/55/62/1379945562.db2.gz DBUQXSOWKYYQHA-PXNSSMCTSA-N 2 1 339.483 3.065 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC001152528314 1379945633 /nfs/dbraw/zinc/94/56/33/1379945633.db2.gz DBUQXSOWKYYQHA-FXAWDEMLSA-N 2 1 339.483 3.065 20 0 EGADMP CC[N@@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153312335 1380053951 /nfs/dbraw/zinc/05/39/51/1380053951.db2.gz FTQZCETXSVAFNH-MJGOQNOKSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153312335 1380053953 /nfs/dbraw/zinc/05/39/53/1380053953.db2.gz FTQZCETXSVAFNH-MJGOQNOKSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153312335 1380053955 /nfs/dbraw/zinc/05/39/55/1380053955.db2.gz FTQZCETXSVAFNH-MJGOQNOKSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]1CCC[C@@H](CC[NH2+]CCNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001153321030 1380054784 /nfs/dbraw/zinc/05/47/84/1380054784.db2.gz SLBXOARBKDHKSX-OALUTQOASA-N 2 1 345.531 3.041 20 0 EGADMP C[C@H]1CCC[C@@H](CC[NH2+]CCNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001153321030 1380054787 /nfs/dbraw/zinc/05/47/87/1380054787.db2.gz SLBXOARBKDHKSX-OALUTQOASA-N 2 1 345.531 3.041 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001153677612 1380113354 /nfs/dbraw/zinc/11/33/54/1380113354.db2.gz JJRMGZYRZMMSEW-SJORKVTESA-N 2 1 331.520 3.073 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001153814348 1380134951 /nfs/dbraw/zinc/13/49/51/1380134951.db2.gz BSCOKGLLDWEUEC-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001153814348 1380134952 /nfs/dbraw/zinc/13/49/52/1380134952.db2.gz BSCOKGLLDWEUEC-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001153814348 1380134953 /nfs/dbraw/zinc/13/49/53/1380134953.db2.gz BSCOKGLLDWEUEC-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1C(C)C)[NH+](C)C ZINC001154000950 1380175142 /nfs/dbraw/zinc/17/51/42/1380175142.db2.gz MVROSEYONYTYNF-YLJYHZDGSA-N 2 1 347.547 3.477 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154464283 1380282515 /nfs/dbraw/zinc/28/25/15/1380282515.db2.gz IKXHAAXICLREMJ-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](CC)CCCCCF)C1 ZINC001154784438 1380350575 /nfs/dbraw/zinc/35/05/75/1380350575.db2.gz FUNKKHWCSOOQDO-MSOLQXFVSA-N 2 1 343.531 3.075 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCCCF)C1 ZINC001154784438 1380350577 /nfs/dbraw/zinc/35/05/77/1380350577.db2.gz FUNKKHWCSOOQDO-MSOLQXFVSA-N 2 1 343.531 3.075 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCCCF)C1 ZINC001154784438 1380350579 /nfs/dbraw/zinc/35/05/79/1380350579.db2.gz FUNKKHWCSOOQDO-MSOLQXFVSA-N 2 1 343.531 3.075 20 0 EGADMP CC[N@@H+](Cc1ccc(CC(C)C)cc1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155004982 1380389141 /nfs/dbraw/zinc/38/91/41/1380389141.db2.gz BPDQGQAIIKSNHH-GOSISDBHSA-N 2 1 347.547 3.163 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001155255700 1380429718 /nfs/dbraw/zinc/42/97/18/1380429718.db2.gz YWADKDKAQLIECM-LJQANCHMSA-N 2 1 347.547 3.178 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001155255700 1380429720 /nfs/dbraw/zinc/42/97/20/1380429720.db2.gz YWADKDKAQLIECM-LJQANCHMSA-N 2 1 347.547 3.178 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001155255700 1380429721 /nfs/dbraw/zinc/42/97/21/1380429721.db2.gz YWADKDKAQLIECM-LJQANCHMSA-N 2 1 347.547 3.178 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155263891 1380430119 /nfs/dbraw/zinc/43/01/19/1380430119.db2.gz XBVVKECZHVFUCW-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001155263891 1380430120 /nfs/dbraw/zinc/43/01/20/1380430120.db2.gz XBVVKECZHVFUCW-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001155263891 1380430121 /nfs/dbraw/zinc/43/01/21/1380430121.db2.gz XBVVKECZHVFUCW-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP COc1ccc2c(C)cc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)[nH+]c2c1 ZINC001155597280 1380471717 /nfs/dbraw/zinc/47/17/17/1380471717.db2.gz LGPUHZQGURNZIY-MGPUTAFESA-N 2 1 341.455 3.122 20 0 EGADMP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155607705 1380473029 /nfs/dbraw/zinc/47/30/29/1380473029.db2.gz VNTVDFUEPHNZKD-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155607705 1380473031 /nfs/dbraw/zinc/47/30/31/1380473031.db2.gz VNTVDFUEPHNZKD-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001155611532 1380473566 /nfs/dbraw/zinc/47/35/66/1380473566.db2.gz IDUIHKPMCBPRPE-JNVNVXKGSA-N 2 1 337.552 3.434 20 0 EGADMP CCCc1cc(NCc2cccnc2C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001156000280 1380512194 /nfs/dbraw/zinc/51/21/94/1380512194.db2.gz UHVJPWBXDVULNE-UHFFFAOYSA-N 2 1 325.460 3.212 20 0 EGADMP Cc1c[nH+]c(NCc2cccc(C[NH+](C)C)c2)nc1NCC1CC1 ZINC001156044297 1380516029 /nfs/dbraw/zinc/51/60/29/1380516029.db2.gz MKPNLRAFBROEDE-UHFFFAOYSA-N 2 1 325.460 3.281 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131229 1380529299 /nfs/dbraw/zinc/52/92/99/1380529299.db2.gz IRHYILQSPOLBJC-GFOMBABLSA-N 2 1 337.552 3.290 20 0 EGADMP CCc1ccc(C[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+](C)C)cc1 ZINC001156475942 1380581189 /nfs/dbraw/zinc/58/11/89/1380581189.db2.gz YNWDTJCQBFRTHH-GOSISDBHSA-N 2 1 347.547 3.308 20 0 EGADMP CC(C)n1ccc2c1nc[nH+]c2N1CCC2(CC1)CC[NH+](C)CC2 ZINC001156575354 1380595859 /nfs/dbraw/zinc/59/58/59/1380595859.db2.gz NGJYPBMMMHVCMB-UHFFFAOYSA-N 2 1 327.476 3.324 20 0 EGADMP CN(Cc1ccc2ccccc2c1)c1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001156872383 1380710555 /nfs/dbraw/zinc/71/05/55/1380710555.db2.gz YCOKFEXBGHBPKE-UHFFFAOYSA-N 2 1 347.466 3.194 20 0 EGADMP CC[N@@H+](CC1CC(C)C1)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157086514 1380772380 /nfs/dbraw/zinc/77/23/80/1380772380.db2.gz YVLDGHNBWYCYIC-TVRKMHQQSA-N 2 1 345.531 3.235 20 0 EGADMP CC[N@@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092290 1380774024 /nfs/dbraw/zinc/77/40/24/1380774024.db2.gz PKQXMFQACQMBIP-GOSISDBHSA-N 2 1 349.563 3.269 20 0 EGADMP CCN(Cc1ccc(C)c(C)c1)c1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001157361781 1380852813 /nfs/dbraw/zinc/85/28/13/1380852813.db2.gz SHKISZCADYFWPR-UHFFFAOYSA-N 2 1 339.487 3.047 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157887365 1381060829 /nfs/dbraw/zinc/06/08/29/1381060829.db2.gz TYZLIYYJTJJDQC-HKUYNNGSSA-N 2 1 331.504 3.025 20 0 EGADMP CC(C)=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157951131 1381079121 /nfs/dbraw/zinc/07/91/21/1381079121.db2.gz PUQDKVVFEUGRIG-RTBURBONSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001157951131 1381079126 /nfs/dbraw/zinc/07/91/26/1381079126.db2.gz PUQDKVVFEUGRIG-RTBURBONSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001157951131 1381079131 /nfs/dbraw/zinc/07/91/31/1381079131.db2.gz PUQDKVVFEUGRIG-RTBURBONSA-N 2 1 335.536 3.138 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158039561 1381109179 /nfs/dbraw/zinc/10/91/79/1381109179.db2.gz SIUZPZNHYFVKIK-VQTJNVASSA-N 2 1 349.563 3.317 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158228150 1381166936 /nfs/dbraw/zinc/16/69/36/1381166936.db2.gz VYNVCJKIGOWZPJ-GOSISDBHSA-N 2 1 328.460 3.061 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](C2CCN(c3cc(Cl)nc4ccc(F)cc43)CC2)C1 ZINC001158258952 1381175493 /nfs/dbraw/zinc/17/54/93/1381175493.db2.gz MRDXNMULFLGWHS-ZDUSSCGKSA-N 2 1 348.853 3.029 20 0 EGADMP [NH3+][C@H]1CC[N@H+](C2CCN(c3cc(Cl)nc4ccc(F)cc43)CC2)C1 ZINC001158258952 1381175495 /nfs/dbraw/zinc/17/54/95/1381175495.db2.gz MRDXNMULFLGWHS-ZDUSSCGKSA-N 2 1 348.853 3.029 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001158310894 1381194848 /nfs/dbraw/zinc/19/48/48/1381194848.db2.gz MDQCXRNGOQWBDT-GUDVDZBRSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@@H](C)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001158310894 1381194854 /nfs/dbraw/zinc/19/48/54/1381194854.db2.gz MDQCXRNGOQWBDT-GUDVDZBRSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@@H](C)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001158310894 1381194862 /nfs/dbraw/zinc/19/48/62/1381194862.db2.gz MDQCXRNGOQWBDT-GUDVDZBRSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001158480184 1381259867 /nfs/dbraw/zinc/25/98/67/1381259867.db2.gz HOPRYXNTGBSQGS-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001158480184 1381259871 /nfs/dbraw/zinc/25/98/71/1381259871.db2.gz HOPRYXNTGBSQGS-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001158480184 1381259878 /nfs/dbraw/zinc/25/98/78/1381259878.db2.gz HOPRYXNTGBSQGS-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)Cc1cccc(C)c1 ZINC001158704310 1381360679 /nfs/dbraw/zinc/36/06/79/1381360679.db2.gz JELXQGBXYAIAOD-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cccc(C)c1 ZINC001158704310 1381360683 /nfs/dbraw/zinc/36/06/83/1381360683.db2.gz JELXQGBXYAIAOD-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cccc(C)c1 ZINC001158704310 1381360688 /nfs/dbraw/zinc/36/06/88/1381360688.db2.gz JELXQGBXYAIAOD-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1cncn1C ZINC001158806693 1381408494 /nfs/dbraw/zinc/40/84/94/1381408494.db2.gz QDKGHUFDSNPPEC-LJQANCHMSA-N 2 1 348.535 3.102 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001159335263 1381768104 /nfs/dbraw/zinc/76/81/04/1381768104.db2.gz XEWNOLWNFMCBGH-AZUAARDMSA-N 2 1 345.531 3.335 20 0 EGADMP C[N@@H+]1Cc2c(Nc3ccncc3C[NH3+])cccc2[C@H](c2ccccc2)C1 ZINC001159806657 1381906569 /nfs/dbraw/zinc/90/65/69/1381906569.db2.gz AZLSMGVEQBPZRT-IBGZPJMESA-N 2 1 344.462 3.283 20 0 EGADMP CC(C)(C)CCC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159909255 1381934121 /nfs/dbraw/zinc/93/41/21/1381934121.db2.gz MGIROQCBHLVKGI-GOSISDBHSA-N 2 1 337.552 3.316 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119753 1382002615 /nfs/dbraw/zinc/00/26/15/1382002615.db2.gz HUPQEFFNCKTJPS-XJDXJNMNSA-N 2 1 347.547 3.354 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160119753 1382002620 /nfs/dbraw/zinc/00/26/20/1382002620.db2.gz HUPQEFFNCKTJPS-XJDXJNMNSA-N 2 1 347.547 3.354 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160119753 1382002625 /nfs/dbraw/zinc/00/26/25/1382002625.db2.gz HUPQEFFNCKTJPS-XJDXJNMNSA-N 2 1 347.547 3.354 20 0 EGADMP Fc1cccc(OCC2CC[NH2+]CC2)c1N=C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001160157584 1382018930 /nfs/dbraw/zinc/01/89/30/1382018930.db2.gz VWWOEZHUUYOJTK-CABCVRRESA-N 2 1 331.435 3.024 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CC(C)C2)CC1 ZINC001160285166 1382061332 /nfs/dbraw/zinc/06/13/32/1382061332.db2.gz CIJCMJWYVBIVMU-UUKMXZOPSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2CC(C)C2)CC1 ZINC001160285166 1382061337 /nfs/dbraw/zinc/06/13/37/1382061337.db2.gz CIJCMJWYVBIVMU-UUKMXZOPSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2CC(C)C2)CC1 ZINC001160285166 1382061343 /nfs/dbraw/zinc/06/13/43/1382061343.db2.gz CIJCMJWYVBIVMU-UUKMXZOPSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160359783 1382082843 /nfs/dbraw/zinc/08/28/43/1382082843.db2.gz ALZPKYDIDXKNPI-YJJPMGAVSA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160492414 1382121779 /nfs/dbraw/zinc/12/17/79/1382121779.db2.gz RUBWQTWZZHNFRL-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160499488 1382124471 /nfs/dbraw/zinc/12/44/71/1382124471.db2.gz DXYVLXXIUXZHBB-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001160499488 1382124475 /nfs/dbraw/zinc/12/44/75/1382124475.db2.gz DXYVLXXIUXZHBB-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001160499488 1382124478 /nfs/dbraw/zinc/12/44/78/1382124478.db2.gz DXYVLXXIUXZHBB-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1=CC[NH+](Cc2ccccc2)CC1 ZINC001160518968 1382129539 /nfs/dbraw/zinc/12/95/39/1382129539.db2.gz ULFZQIGCBUMAFM-UHFFFAOYSA-N 2 1 343.515 3.055 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCCC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001160518968 1382129543 /nfs/dbraw/zinc/12/95/43/1382129543.db2.gz ULFZQIGCBUMAFM-UHFFFAOYSA-N 2 1 343.515 3.055 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001160518968 1382129545 /nfs/dbraw/zinc/12/95/45/1382129545.db2.gz ULFZQIGCBUMAFM-UHFFFAOYSA-N 2 1 343.515 3.055 20 0 EGADMP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001160870578 1382220198 /nfs/dbraw/zinc/22/01/98/1382220198.db2.gz ZLVMAECNMTYQMG-OALUTQOASA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001160990995 1382264641 /nfs/dbraw/zinc/26/46/41/1382264641.db2.gz KBKKQYKMVDIYJX-FQEVSTJZSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001160990995 1382264646 /nfs/dbraw/zinc/26/46/46/1382264646.db2.gz KBKKQYKMVDIYJX-FQEVSTJZSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001160990995 1382264650 /nfs/dbraw/zinc/26/46/50/1382264650.db2.gz KBKKQYKMVDIYJX-FQEVSTJZSA-N 2 1 347.547 3.332 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001161041634 1382280156 /nfs/dbraw/zinc/28/01/56/1382280156.db2.gz KRVAHNHCXIZAON-HXUWFJFHSA-N 2 1 343.515 3.034 20 0 EGADMP Cc1nc(N[C@H]2CC[N@H+](CC3CCCC3)C2)cc(N2CCCC2)[nH+]1 ZINC001161180491 1382329403 /nfs/dbraw/zinc/32/94/03/1382329403.db2.gz ICQKAQRRINPEPJ-KRWDZBQOSA-N 2 1 329.492 3.062 20 0 EGADMP Cc1nc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc(N2CCCC2)[nH+]1 ZINC001161180491 1382329409 /nfs/dbraw/zinc/32/94/09/1382329409.db2.gz ICQKAQRRINPEPJ-KRWDZBQOSA-N 2 1 329.492 3.062 20 0 EGADMP CCCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001328588843 1388784158 /nfs/dbraw/zinc/78/41/58/1388784158.db2.gz MIZUAVIWAHQNEU-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001328588843 1388784159 /nfs/dbraw/zinc/78/41/59/1388784159.db2.gz MIZUAVIWAHQNEU-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001328588843 1388784164 /nfs/dbraw/zinc/78/41/64/1388784164.db2.gz MIZUAVIWAHQNEU-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CCC2CC2)CC1 ZINC001161391528 1382395432 /nfs/dbraw/zinc/39/54/32/1382395432.db2.gz SWGSTPZUZUILNY-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](CCC2CC2)CC1 ZINC001161391528 1382395438 /nfs/dbraw/zinc/39/54/38/1382395438.db2.gz SWGSTPZUZUILNY-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001161391528 1382395440 /nfs/dbraw/zinc/39/54/40/1382395440.db2.gz SWGSTPZUZUILNY-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP Cc1ccccc1CC(C)(C)Nc1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001161450556 1382414653 /nfs/dbraw/zinc/41/46/53/1382414653.db2.gz DYNOUZWSBFYHIL-UHFFFAOYSA-N 2 1 339.487 3.146 20 0 EGADMP Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(NCCCC[NH+](C)C)c12 ZINC001161728149 1382490056 /nfs/dbraw/zinc/49/00/56/1382490056.db2.gz DFFSNNRIWJLQBK-UHFFFAOYSA-N 2 1 341.459 3.443 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161733898 1382491839 /nfs/dbraw/zinc/49/18/39/1382491839.db2.gz NJYAPJRWSBVJCJ-UHFFFAOYSA-N 2 1 337.552 3.437 20 0 EGADMP C[NH+](C)CCCCC(=O)NCCC1=CC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001161733627 1382491900 /nfs/dbraw/zinc/49/19/00/1382491900.db2.gz GSHNBXVAMKEFSH-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NCCC2=CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001161862623 1382533476 /nfs/dbraw/zinc/53/34/76/1382533476.db2.gz IXBNJNGJLYRGDB-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NCCC2=CC[N@H+](CC3CCCCCC3)CC2)C1 ZINC001161862623 1382533479 /nfs/dbraw/zinc/53/34/79/1382533479.db2.gz IXBNJNGJLYRGDB-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NCCC2=CC[N@@H+](CC3CCCCCC3)CC2)C1 ZINC001161862623 1382533481 /nfs/dbraw/zinc/53/34/81/1382533481.db2.gz IXBNJNGJLYRGDB-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924814 1382553793 /nfs/dbraw/zinc/55/37/93/1382553793.db2.gz MAHJIJDHZFOXEE-QCUQMOABSA-N 2 1 347.547 3.354 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924814 1382553813 /nfs/dbraw/zinc/55/38/13/1382553813.db2.gz MAHJIJDHZFOXEE-QCUQMOABSA-N 2 1 347.547 3.354 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924814 1382553824 /nfs/dbraw/zinc/55/38/24/1382553824.db2.gz MAHJIJDHZFOXEE-QCUQMOABSA-N 2 1 347.547 3.354 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161938611 1382562740 /nfs/dbraw/zinc/56/27/40/1382562740.db2.gz RWJXCMQRWVEJLS-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952261 1382567885 /nfs/dbraw/zinc/56/78/85/1382567885.db2.gz FBFGWMPVHMHTBQ-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP O[C@@H](CNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1)c1ccco1 ZINC001162258489 1382708958 /nfs/dbraw/zinc/70/89/58/1382708958.db2.gz QXAKPRKZKRJPLE-QAPCUYQASA-N 2 1 340.427 3.089 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(NCCC[NH2+]CCCC[NH3+])nc1 ZINC001162294656 1382723918 /nfs/dbraw/zinc/72/39/18/1382723918.db2.gz QQNFYMOECSWMTF-LJQANCHMSA-N 3 1 347.551 3.149 20 0 EGADMP C[N@@H+](CCC(=O)NCCC[NH2+]CCC1CCCC1)C1CCCCC1 ZINC001163275073 1383010696 /nfs/dbraw/zinc/01/06/96/1383010696.db2.gz PCJDOTVKRDZRKS-UHFFFAOYSA-N 2 1 337.552 3.317 20 0 EGADMP CCC/C=C\CC[NH2+]CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001163274659 1383010982 /nfs/dbraw/zinc/01/09/82/1383010982.db2.gz BHZAHUBSCOFLKX-WAYWQWQTSA-N 2 1 337.552 3.483 20 0 EGADMP CCOC(=O)c1c[nH]c2cc(N[C@@H]3CC[N@H+](C(C)C)C[C@H]3C)[nH+]cc21 ZINC001163366652 1383033134 /nfs/dbraw/zinc/03/31/34/1383033134.db2.gz WAAVFGGLPHZILL-CZUORRHYSA-N 2 1 344.459 3.270 20 0 EGADMP CC(C)OC(=O)[C@H](C)Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001163402630 1383043235 /nfs/dbraw/zinc/04/32/35/1383043235.db2.gz WQGIIPJERCFBEF-HOCLYGCPSA-N 2 1 344.459 3.103 20 0 EGADMP C[NH+](C)C1(CNc2ccc3c(c2)CCC(C)(C)O3)CC[NH+](C)CC1 ZINC001164216930 1383166908 /nfs/dbraw/zinc/16/69/08/1383166908.db2.gz MUYWMMRXMYFRGJ-UHFFFAOYSA-N 2 1 331.504 3.228 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001164509196 1383194673 /nfs/dbraw/zinc/19/46/73/1383194673.db2.gz WOSLTXPEUGNCEG-LJQANCHMSA-N 2 1 349.563 3.316 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531956 1383196831 /nfs/dbraw/zinc/19/68/31/1383196831.db2.gz YAMXUYSGIBTHRG-FKDQEEMOSA-N 2 1 347.547 3.093 20 0 EGADMP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001165728772 1383334406 /nfs/dbraw/zinc/33/44/06/1383334406.db2.gz UCTRWNJGJCJQHH-RBUKOAKNSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001165763762 1383341394 /nfs/dbraw/zinc/34/13/94/1383341394.db2.gz FQMWAUSKYIPPSX-ZWKOTPCHSA-N 2 1 337.552 3.029 20 0 EGADMP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001165765070 1383341943 /nfs/dbraw/zinc/34/19/43/1383341943.db2.gz XPVQCFAHYBHTFK-OOFWQKGWSA-N 2 1 335.536 3.093 20 0 EGADMP Cc1cc(C)c(C[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C)c(C)c1 ZINC001166744337 1383469883 /nfs/dbraw/zinc/46/98/83/1383469883.db2.gz RFXYPKLPVPGVHN-UHFFFAOYSA-N 2 1 347.547 3.186 20 0 EGADMP CCC/C=C/CC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001167224931 1383570030 /nfs/dbraw/zinc/57/00/30/1383570030.db2.gz OAYRLZVZOQPWPE-QWNKOJSDSA-N 2 1 335.536 3.093 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCCC2(C[NH2+]CCCC(C)(C)C)CC2)C1 ZINC001167232546 1383570751 /nfs/dbraw/zinc/57/07/51/1383570751.db2.gz GXWHZUJCXUVGQP-KRWDZBQOSA-N 2 1 337.552 3.031 20 0 EGADMP Cc1cc(N[C@H]2CC[N@H+](C)C2)nc2c1C[NH+](Cc1ccccc1)CC2 ZINC001167270424 1383580742 /nfs/dbraw/zinc/58/07/42/1383580742.db2.gz UZOAWXRXYGLFQW-SFHVURJKSA-N 2 1 336.483 3.064 20 0 EGADMP Cc1cc(N[C@H]2CC[NH+](C)C2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001167270424 1383580746 /nfs/dbraw/zinc/58/07/46/1383580746.db2.gz UZOAWXRXYGLFQW-SFHVURJKSA-N 2 1 336.483 3.064 20 0 EGADMP Cc1cc(N[C@H]2CC[NH+](C)C2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001167270424 1383580749 /nfs/dbraw/zinc/58/07/49/1383580749.db2.gz UZOAWXRXYGLFQW-SFHVURJKSA-N 2 1 336.483 3.064 20 0 EGADMP CC[N@@H+]1CC=C(c2cnc(-n3ccc4cc(C[NH3+])cnc43)c(C)c2)CC1 ZINC001167308261 1383591914 /nfs/dbraw/zinc/59/19/14/1383591914.db2.gz LSMJDCGMHNEKDJ-UHFFFAOYSA-N 2 1 347.466 3.297 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]C[C@@H](C)CC)CC1 ZINC001167470918 1383642757 /nfs/dbraw/zinc/64/27/57/1383642757.db2.gz IVZURRBUIPLVSF-SFHVURJKSA-N 2 1 339.568 3.421 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC001300214383 1383653286 /nfs/dbraw/zinc/65/32/86/1383653286.db2.gz QPDOPSMSABHALE-MRXNPFEDSA-N 2 1 338.455 3.306 20 0 EGADMP Cc1ccccc1C[NH2+]CCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001167580959 1383677941 /nfs/dbraw/zinc/67/79/41/1383677941.db2.gz MVLYPFFSUCEFJU-UHFFFAOYSA-N 2 1 342.487 3.001 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001167636349 1383695274 /nfs/dbraw/zinc/69/52/74/1383695274.db2.gz SRHZOERXWAAZDT-VQIMIIECSA-N 2 1 349.494 3.246 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(F)ccc2C)[C@H](C)C1 ZINC001167683809 1383709441 /nfs/dbraw/zinc/70/94/41/1383709441.db2.gz BXPWDBNHGMQAGF-QAPCUYQASA-N 2 1 335.467 3.125 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cc(F)ccc2C)[C@H](C)C1 ZINC001167683809 1383709444 /nfs/dbraw/zinc/70/94/44/1383709444.db2.gz BXPWDBNHGMQAGF-QAPCUYQASA-N 2 1 335.467 3.125 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc(F)ccc2C)[C@H](C)C1 ZINC001167683809 1383709448 /nfs/dbraw/zinc/70/94/48/1383709448.db2.gz BXPWDBNHGMQAGF-QAPCUYQASA-N 2 1 335.467 3.125 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001167823770 1383749200 /nfs/dbraw/zinc/74/92/00/1383749200.db2.gz FICNHHTXSPIYQF-SXLOBPIMSA-N 2 1 338.536 3.157 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 ZINC001167827025 1383751261 /nfs/dbraw/zinc/75/12/61/1383751261.db2.gz ROQLYGSNYZBHBS-BQFCYCMXSA-N 2 1 349.544 3.153 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](Oc2ncccc2OC)C1 ZINC001167834762 1383753304 /nfs/dbraw/zinc/75/33/04/1383753304.db2.gz MTVGOAGMBUXVRQ-IRXDYDNUSA-N 2 1 335.492 3.054 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)N1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001167835882 1383754167 /nfs/dbraw/zinc/75/41/67/1383754167.db2.gz VIQKNXKTCAXAJC-GOSISDBHSA-N 2 1 339.568 3.072 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(N2CCC(OC)CC2)CC1 ZINC001167835882 1383754169 /nfs/dbraw/zinc/75/41/69/1383754169.db2.gz VIQKNXKTCAXAJC-GOSISDBHSA-N 2 1 339.568 3.072 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001167836354 1383755343 /nfs/dbraw/zinc/75/53/43/1383755343.db2.gz VPMQFLNYJBOVIS-SFHVURJKSA-N 2 1 345.531 3.274 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3C[C@H]4C[C@H]4C3)C[C@@H]21 ZINC001167941608 1383773694 /nfs/dbraw/zinc/77/36/94/1383773694.db2.gz QZTXBKZOIDDFPR-BZYBLJFLSA-N 2 1 325.500 3.412 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3C[C@H]4C[C@H]4C3)C[C@@H]21 ZINC001167941608 1383773699 /nfs/dbraw/zinc/77/36/99/1383773699.db2.gz QZTXBKZOIDDFPR-BZYBLJFLSA-N 2 1 325.500 3.412 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3C[C@H]4C[C@H]4C3)C[C@@H]21 ZINC001167941608 1383773703 /nfs/dbraw/zinc/77/37/03/1383773703.db2.gz QZTXBKZOIDDFPR-BZYBLJFLSA-N 2 1 325.500 3.412 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3C[C@H]4C[C@H]4C3)C[C@@H]21 ZINC001167941608 1383773704 /nfs/dbraw/zinc/77/37/04/1383773704.db2.gz QZTXBKZOIDDFPR-BZYBLJFLSA-N 2 1 325.500 3.412 20 0 EGADMP OC[C@H](Cc1cccc(Cl)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167968583 1383781208 /nfs/dbraw/zinc/78/12/08/1383781208.db2.gz RZAXPHWCUKSQDJ-SEBOWIOWSA-N 2 1 348.918 3.238 20 0 EGADMP O[C@H]1c2ccccc2CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969049 1383782484 /nfs/dbraw/zinc/78/24/84/1383782484.db2.gz YUDPVSCBIWNJRM-XOGABFJHSA-N 2 1 326.484 3.030 20 0 EGADMP OC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(Cl)cc1 ZINC001167981608 1383786878 /nfs/dbraw/zinc/78/68/78/1383786878.db2.gz BJWCUBYESKTPDK-OHSMVPPVSA-N 2 1 348.918 3.411 20 0 EGADMP CCOC(=O)C[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167984718 1383787530 /nfs/dbraw/zinc/78/75/30/1383787530.db2.gz PXVFIWBSFLYFFK-HTUJPFKRSA-N 2 1 334.504 3.057 20 0 EGADMP CCOC(=O)C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167984718 1383787535 /nfs/dbraw/zinc/78/75/35/1383787535.db2.gz PXVFIWBSFLYFFK-HTUJPFKRSA-N 2 1 334.504 3.057 20 0 EGADMP CCOC(=O)C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167984718 1383787536 /nfs/dbraw/zinc/78/75/36/1383787536.db2.gz PXVFIWBSFLYFFK-HTUJPFKRSA-N 2 1 334.504 3.057 20 0 EGADMP CCOC(=O)[C@@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167994310 1383790628 /nfs/dbraw/zinc/79/06/28/1383790628.db2.gz BMNNQRBIDOFNJM-KAKFPZCNSA-N 2 1 334.504 3.057 20 0 EGADMP CCOC(=O)[C@@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167994310 1383790630 /nfs/dbraw/zinc/79/06/30/1383790630.db2.gz BMNNQRBIDOFNJM-KAKFPZCNSA-N 2 1 334.504 3.057 20 0 EGADMP CCOC(=O)[C@@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167994310 1383790633 /nfs/dbraw/zinc/79/06/33/1383790633.db2.gz BMNNQRBIDOFNJM-KAKFPZCNSA-N 2 1 334.504 3.057 20 0 EGADMP NC(=[NH2+])N(c1ccc(F)cc1)c1cc(Br)cc2c[nH+]cn21 ZINC001167995261 1383791304 /nfs/dbraw/zinc/79/13/04/1383791304.db2.gz YPFBAZJWFWVAMC-UHFFFAOYSA-N 2 1 348.179 3.267 20 0 EGADMP COC(=O)[C@]1(C)CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168066618 1383809381 /nfs/dbraw/zinc/80/93/81/1383809381.db2.gz QODKSNHDVUJPBV-XGHQBKJUSA-N 2 1 344.499 3.313 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CCO1 ZINC001168128030 1383823840 /nfs/dbraw/zinc/82/38/40/1383823840.db2.gz MBJBAGXMHXWRMT-CXUGJCBMSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CCO1 ZINC001168128030 1383823844 /nfs/dbraw/zinc/82/38/44/1383823844.db2.gz MBJBAGXMHXWRMT-CXUGJCBMSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)CCO1 ZINC001168128030 1383823848 /nfs/dbraw/zinc/82/38/48/1383823848.db2.gz MBJBAGXMHXWRMT-CXUGJCBMSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CCO1 ZINC001168128030 1383823855 /nfs/dbraw/zinc/82/38/55/1383823855.db2.gz MBJBAGXMHXWRMT-CXUGJCBMSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC001168142452 1383825988 /nfs/dbraw/zinc/82/59/88/1383825988.db2.gz CTKRSTFCUBDQIM-GFOJFJKKSA-N 2 1 328.500 3.398 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC001168142452 1383825993 /nfs/dbraw/zinc/82/59/93/1383825993.db2.gz CTKRSTFCUBDQIM-GFOJFJKKSA-N 2 1 328.500 3.398 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC001168142452 1383825997 /nfs/dbraw/zinc/82/59/97/1383825997.db2.gz CTKRSTFCUBDQIM-GFOJFJKKSA-N 2 1 328.500 3.398 20 0 EGADMP CC1(Nc2[nH+]cnc3c2ccn3Cc2ccccc2F)CC[NH2+]CC1 ZINC001168183806 1383837809 /nfs/dbraw/zinc/83/78/09/1383837809.db2.gz NJCFFGLWLKUESQ-UHFFFAOYSA-N 2 1 339.418 3.173 20 0 EGADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315047 1383871719 /nfs/dbraw/zinc/87/17/19/1383871719.db2.gz QEOJKYOCGZGIKC-KLAILNCOSA-N 2 1 339.524 3.048 20 0 EGADMP COc1cccc(O[C@H]2CCC[N@H+](C3CCC([NH+](C)C)CC3)C2)c1 ZINC001168323270 1383872165 /nfs/dbraw/zinc/87/21/65/1383872165.db2.gz XALJBVDGFPIQAR-UHYCVJNDSA-N 2 1 332.488 3.411 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CC2(CCNC(=O)C[N@H+](C)C(C)C)CC2)c1 ZINC001168320629 1383872795 /nfs/dbraw/zinc/87/27/95/1383872795.db2.gz HKVKPRKRDBGJQC-UHFFFAOYSA-N 2 1 345.531 3.020 20 0 EGADMP C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168329181 1383874306 /nfs/dbraw/zinc/87/43/06/1383874306.db2.gz OVVBUXLLGBUTGK-OTBWCIGPSA-N 2 1 339.524 3.237 20 0 EGADMP CN(C[C@H]1CCC[N@H+]1C1CCC([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC001168328514 1383874561 /nfs/dbraw/zinc/87/45/61/1383874561.db2.gz IVLMNXARBKPZRM-OFLPRAFFSA-N 2 1 339.524 3.191 20 0 EGADMP c1ccc(C[N@@H+]2CCCN(C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168379278 1383889862 /nfs/dbraw/zinc/88/98/62/1383889862.db2.gz GJJSQFDLQGSUNO-UHFFFAOYSA-N 2 1 327.516 3.069 20 0 EGADMP CCOC(=O)C1(C(C)C)CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168388140 1383891590 /nfs/dbraw/zinc/89/15/90/1383891590.db2.gz BVYUWGGJYFXMTC-UHFFFAOYSA-N 2 1 336.520 3.162 20 0 EGADMP C[N@@H+](CCCCNC(=O)OC(C)(C)C)C1CC[NH+](CC2CC2)CC1 ZINC001168388664 1383892786 /nfs/dbraw/zinc/89/27/86/1383892786.db2.gz DZCWCHDUMBEANI-UHFFFAOYSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)C1CCCCCCC1)c1ccccc1 ZINC001307451186 1383992230 /nfs/dbraw/zinc/99/22/30/1383992230.db2.gz TZZZHCDVOFAKJC-HXUWFJFHSA-N 2 1 345.531 3.450 20 0 EGADMP C[C@@H](O)[C@H]1CCC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001307937635 1384059309 /nfs/dbraw/zinc/05/93/09/1384059309.db2.gz AUMGCSVVJFAKQV-WIYYLYMNSA-N 2 1 330.516 3.176 20 0 EGADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307986826 1384068775 /nfs/dbraw/zinc/06/87/75/1384068775.db2.gz DLMRBQZOLDXCPL-CFVMTHIKSA-N 2 1 346.862 3.335 20 0 EGADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307986826 1384068781 /nfs/dbraw/zinc/06/87/81/1384068781.db2.gz DLMRBQZOLDXCPL-CFVMTHIKSA-N 2 1 346.862 3.335 20 0 EGADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001307986826 1384068787 /nfs/dbraw/zinc/06/87/87/1384068787.db2.gz DLMRBQZOLDXCPL-CFVMTHIKSA-N 2 1 346.862 3.335 20 0 EGADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001307986826 1384068793 /nfs/dbraw/zinc/06/87/93/1384068793.db2.gz DLMRBQZOLDXCPL-CFVMTHIKSA-N 2 1 346.862 3.335 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001169093507 1384105893 /nfs/dbraw/zinc/10/58/93/1384105893.db2.gz IGCUCRDVHKXZSS-AGGBGYSWSA-N 2 1 339.527 3.397 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001169093507 1384105895 /nfs/dbraw/zinc/10/58/95/1384105895.db2.gz IGCUCRDVHKXZSS-AGGBGYSWSA-N 2 1 339.527 3.397 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001169093507 1384105897 /nfs/dbraw/zinc/10/58/97/1384105897.db2.gz IGCUCRDVHKXZSS-AGGBGYSWSA-N 2 1 339.527 3.397 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3cc(F)cc(F)c3)CC1)C2 ZINC001169108895 1384108284 /nfs/dbraw/zinc/10/82/84/1384108284.db2.gz DZNSZUZTHCKZLS-OWZKRDHZSA-N 2 1 349.469 3.144 20 0 EGADMP Cc1c(F)cccc1CN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169108530 1384108380 /nfs/dbraw/zinc/10/83/80/1384108380.db2.gz ARZLZYHKJVWRGC-ACDBMABISA-N 2 1 345.506 3.313 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3cccc(F)c3F)CC1)C2 ZINC001169113944 1384108621 /nfs/dbraw/zinc/10/86/21/1384108621.db2.gz VJGGRZRPCCBQNP-NNZMDNLPSA-N 2 1 349.469 3.144 20 0 EGADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001169117296 1384109097 /nfs/dbraw/zinc/10/90/97/1384109097.db2.gz XTTMXAXHTDXICE-SFNKJDCFSA-N 2 1 328.456 3.065 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(CC(=O)OC(C)(C)C)c1)C2 ZINC001169123107 1384110414 /nfs/dbraw/zinc/11/04/14/1384110414.db2.gz JDAQRRHWGGYCQB-REPLKXPHSA-N 2 1 344.499 3.286 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(O)(c3ccc(Cl)cc3)CC1)C2 ZINC001169122895 1384110478 /nfs/dbraw/zinc/11/04/78/1384110478.db2.gz FWIMTBWPSUJXJS-PIIMJCKOSA-N 2 1 334.891 3.249 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169122927 1384110593 /nfs/dbraw/zinc/11/05/93/1384110593.db2.gz GGOWZQSDIQEKJP-QNDFHXLGSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169122927 1384110594 /nfs/dbraw/zinc/11/05/94/1384110594.db2.gz GGOWZQSDIQEKJP-QNDFHXLGSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169122927 1384110597 /nfs/dbraw/zinc/11/05/97/1384110597.db2.gz GGOWZQSDIQEKJP-QNDFHXLGSA-N 2 1 327.516 3.112 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001308259697 1384113995 /nfs/dbraw/zinc/11/39/95/1384113995.db2.gz AIHJTIUILKSSBQ-OAHLLOKOSA-N 2 1 332.879 3.266 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001308259697 1384113997 /nfs/dbraw/zinc/11/39/97/1384113997.db2.gz AIHJTIUILKSSBQ-OAHLLOKOSA-N 2 1 332.879 3.266 20 0 EGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148098 1384114709 /nfs/dbraw/zinc/11/47/09/1384114709.db2.gz YSAMTNNOEGSPCT-BURNTYAHSA-N 2 1 327.516 3.066 20 0 EGADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169148098 1384114711 /nfs/dbraw/zinc/11/47/11/1384114711.db2.gz YSAMTNNOEGSPCT-BURNTYAHSA-N 2 1 327.516 3.066 20 0 EGADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169148098 1384114712 /nfs/dbraw/zinc/11/47/12/1384114712.db2.gz YSAMTNNOEGSPCT-BURNTYAHSA-N 2 1 327.516 3.066 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H](c2ccccc2)C1 ZINC001169155100 1384116137 /nfs/dbraw/zinc/11/61/37/1384116137.db2.gz YBZJYFMPYQVUQD-OBKDMQGPSA-N 2 1 342.483 3.238 20 0 EGADMP COC(=O)[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H](c2ccccc2)C1 ZINC001169155100 1384116139 /nfs/dbraw/zinc/11/61/39/1384116139.db2.gz YBZJYFMPYQVUQD-OBKDMQGPSA-N 2 1 342.483 3.238 20 0 EGADMP COC(=O)[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H](c2ccccc2)C1 ZINC001169155100 1384116141 /nfs/dbraw/zinc/11/61/41/1384116141.db2.gz YBZJYFMPYQVUQD-OBKDMQGPSA-N 2 1 342.483 3.238 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(Oc3cccc(Cl)n3)CC1)C2 ZINC001169155944 1384116700 /nfs/dbraw/zinc/11/67/00/1384116700.db2.gz WFRBIZXKKAQHER-QDMKHBRRSA-N 2 1 335.879 3.203 20 0 EGADMP CCN1CCC([NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)CC1 ZINC001169264512 1384129289 /nfs/dbraw/zinc/12/92/89/1384129289.db2.gz GLQDDTQZDAQQGQ-UHFFFAOYSA-N 2 1 327.516 3.069 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169452748 1384149495 /nfs/dbraw/zinc/14/94/95/1384149495.db2.gz RBYVOELXTNUYEB-IHPCNDPISA-N 2 1 345.531 3.406 20 0 EGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001308793034 1384150102 /nfs/dbraw/zinc/15/01/02/1384150102.db2.gz PTKXZLWSQVWODF-OWCLPIDISA-N 2 1 341.540 3.388 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001308793034 1384150104 /nfs/dbraw/zinc/15/01/04/1384150104.db2.gz PTKXZLWSQVWODF-OWCLPIDISA-N 2 1 341.540 3.388 20 0 EGADMP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169811115 1384187955 /nfs/dbraw/zinc/18/79/55/1384187955.db2.gz TYPWEJJCEHBWQA-SJORKVTESA-N 2 1 325.541 3.172 20 0 EGADMP Cc1cccc([C@H](O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001169899584 1384196227 /nfs/dbraw/zinc/19/62/27/1384196227.db2.gz JBPNQQBWGFTDJI-BHIFYINESA-N 2 1 336.479 3.092 20 0 EGADMP Cc1cccc([C@H](O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001169899584 1384196228 /nfs/dbraw/zinc/19/62/28/1384196228.db2.gz JBPNQQBWGFTDJI-BHIFYINESA-N 2 1 336.479 3.092 20 0 EGADMP Cc1cccc([C@H](O)C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001169899584 1384196229 /nfs/dbraw/zinc/19/62/29/1384196229.db2.gz JBPNQQBWGFTDJI-BHIFYINESA-N 2 1 336.479 3.092 20 0 EGADMP Cc1cccc([C@H](O)C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001169899584 1384196230 /nfs/dbraw/zinc/19/62/30/1384196230.db2.gz JBPNQQBWGFTDJI-BHIFYINESA-N 2 1 336.479 3.092 20 0 EGADMP CC[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)CCO1 ZINC001170214519 1384266951 /nfs/dbraw/zinc/26/69/51/1384266951.db2.gz PYHLLZSEDCMDQV-PLACYPQZSA-N 2 1 328.500 3.316 20 0 EGADMP CC[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)CCO1 ZINC001170214519 1384266956 /nfs/dbraw/zinc/26/69/56/1384266956.db2.gz PYHLLZSEDCMDQV-PLACYPQZSA-N 2 1 328.500 3.316 20 0 EGADMP CC[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)CCO1 ZINC001170214519 1384266960 /nfs/dbraw/zinc/26/69/60/1384266960.db2.gz PYHLLZSEDCMDQV-PLACYPQZSA-N 2 1 328.500 3.316 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001170565814 1384343955 /nfs/dbraw/zinc/34/39/55/1384343955.db2.gz YBASMTQKEZOTSB-APWZRJJASA-N 2 1 348.462 3.064 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001170565814 1384343957 /nfs/dbraw/zinc/34/39/57/1384343957.db2.gz YBASMTQKEZOTSB-APWZRJJASA-N 2 1 348.462 3.064 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170753157 1384379880 /nfs/dbraw/zinc/37/98/80/1384379880.db2.gz MUOGHNSQNUJLJA-BKZNIZDZSA-N 2 1 332.532 3.101 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170753157 1384379883 /nfs/dbraw/zinc/37/98/83/1384379883.db2.gz MUOGHNSQNUJLJA-BKZNIZDZSA-N 2 1 332.532 3.101 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170753157 1384379886 /nfs/dbraw/zinc/37/98/86/1384379886.db2.gz MUOGHNSQNUJLJA-BKZNIZDZSA-N 2 1 332.532 3.101 20 0 EGADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CCc2ccc(Br)cc2C1 ZINC001170848377 1384397939 /nfs/dbraw/zinc/39/79/39/1384397939.db2.gz HLAMEYWBORTBEJ-HNNXBMFYSA-N 2 1 334.261 3.185 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH2+]C[C@@H](C)CC(C)C)c1ccccc1 ZINC001170868213 1384401537 /nfs/dbraw/zinc/40/15/37/1384401537.db2.gz QYOQSSKDAYQFHS-ICSRJNTNSA-N 2 1 347.547 3.458 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001171120972 1384449811 /nfs/dbraw/zinc/44/98/11/1384449811.db2.gz QLVKOUKRYPYMHB-AZUAARDMSA-N 2 1 345.531 3.326 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171248648 1384478041 /nfs/dbraw/zinc/47/80/41/1384478041.db2.gz WWXSDLZWZVLUPF-LPHOPBHVSA-N 2 1 335.536 3.068 20 0 EGADMP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171260509 1384480815 /nfs/dbraw/zinc/48/08/15/1384480815.db2.gz JQOKXBLYYCYPPS-QGZVFWFLSA-N 2 1 325.541 3.316 20 0 EGADMP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171261678 1384481451 /nfs/dbraw/zinc/48/14/51/1384481451.db2.gz YCVHEWFMMVKMPF-QGZVFWFLSA-N 2 1 335.536 3.236 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)CC1(C)C ZINC001171638661 1384587986 /nfs/dbraw/zinc/58/79/86/1384587986.db2.gz YTDLHHXBWQSABZ-OAQYLSRUSA-N 2 1 341.499 3.234 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCC1 ZINC001171646793 1384591735 /nfs/dbraw/zinc/59/17/35/1384591735.db2.gz PSNGPGWCDCJQQM-IEBWSBKVSA-N 2 1 337.552 3.172 20 0 EGADMP C[C@H]1C[C@H](N[C@H]2CC[NH+](CC3CCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC001171738545 1384620334 /nfs/dbraw/zinc/62/03/34/1384620334.db2.gz KIMREQZGMXYLMT-YYWHXJBOSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H]1C[C@H](N[C@H]2CC[NH+](CC3CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171738545 1384620339 /nfs/dbraw/zinc/62/03/39/1384620339.db2.gz KIMREQZGMXYLMT-YYWHXJBOSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H]1C[C@H](N[C@H]2CC[N@H+](CC3CCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171738545 1384620348 /nfs/dbraw/zinc/62/03/48/1384620348.db2.gz KIMREQZGMXYLMT-YYWHXJBOSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H]1C[C@H](N[C@H]2CC[N@@H+](CC3CCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171738545 1384620353 /nfs/dbraw/zinc/62/03/53/1384620353.db2.gz KIMREQZGMXYLMT-YYWHXJBOSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[N@H+]1Cc1ccccc1 ZINC001171769576 1384630494 /nfs/dbraw/zinc/63/04/94/1384630494.db2.gz UOEPNTSVOJUPLV-AYWYSENESA-N 2 1 345.506 3.158 20 0 EGADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171778868 1384633210 /nfs/dbraw/zinc/63/32/10/1384633210.db2.gz XFMMIUMXKOZSGT-KRWDZBQOSA-N 2 1 325.431 3.255 20 0 EGADMP COc1ccccc1C1([NH3+])CC[NH+]([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171785303 1384635772 /nfs/dbraw/zinc/63/57/72/1384635772.db2.gz MCSOZPARBGYZMV-MRXNPFEDSA-N 2 1 340.442 3.252 20 0 EGADMP Cc1cc(C[NH2+]CCCC[C@H](C)NC(=O)Cn2c[nH+]cc2C)cs1 ZINC001171822648 1384651191 /nfs/dbraw/zinc/65/11/91/1384651191.db2.gz ZMGFBOKYMZPFPQ-AWEZNQCLSA-N 2 1 348.516 3.026 20 0 EGADMP CC(C)[NH+](CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1)C(C)C ZINC001171863873 1384664819 /nfs/dbraw/zinc/66/48/19/1384664819.db2.gz HJFYZSHJZKDQGB-FQEVSTJZSA-N 2 1 345.531 3.390 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C2 ZINC001171914141 1384680623 /nfs/dbraw/zinc/68/06/23/1384680623.db2.gz NOGAKQOOSNODBI-GWDNYDDXSA-N 2 1 336.520 3.492 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C2 ZINC001171914141 1384680626 /nfs/dbraw/zinc/68/06/26/1384680626.db2.gz NOGAKQOOSNODBI-GWDNYDDXSA-N 2 1 336.520 3.492 20 0 EGADMP Cc1cnc(CC[NH3+])n1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963919 1384696955 /nfs/dbraw/zinc/69/69/55/1384696955.db2.gz FUILUDOFGYUANY-SFHVURJKSA-N 2 1 326.488 3.308 20 0 EGADMP CCOC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973146 1384699339 /nfs/dbraw/zinc/69/93/39/1384699339.db2.gz WMXDDHKHASTQMM-FUHWJXTLSA-N 2 1 332.488 3.361 20 0 EGADMP CC1(C)C[C@H](N2CC[NH+](CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171984252 1384703397 /nfs/dbraw/zinc/70/33/97/1384703397.db2.gz JSBCQIVBVAKWQI-OAQYLSRUSA-N 2 1 341.543 3.457 20 0 EGADMP CC1(C)C[C@H]([NH2+]C2CCN(CCF)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171983097 1384703490 /nfs/dbraw/zinc/70/34/90/1384703490.db2.gz MUHNQRBEGVOAAC-HXUWFJFHSA-N 2 1 347.522 3.453 20 0 EGADMP N=c1cc(C[NH3+])ccn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063938 1384714629 /nfs/dbraw/zinc/71/46/29/1384714629.db2.gz FEJLQRCPEGGZTC-ACDBMABISA-N 2 1 336.483 3.184 20 0 EGADMP OC[C@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172078987 1384721540 /nfs/dbraw/zinc/72/15/40/1384721540.db2.gz KPHAOTCWHXKEFT-MHTWAQMVSA-N 2 1 328.500 3.419 20 0 EGADMP OC[C@H]1CCCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172078987 1384721544 /nfs/dbraw/zinc/72/15/44/1384721544.db2.gz KPHAOTCWHXKEFT-MHTWAQMVSA-N 2 1 328.500 3.419 20 0 EGADMP OC[C@H]1CCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172078987 1384721549 /nfs/dbraw/zinc/72/15/49/1384721549.db2.gz KPHAOTCWHXKEFT-MHTWAQMVSA-N 2 1 328.500 3.419 20 0 EGADMP OC[C@H]1CCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172078987 1384721553 /nfs/dbraw/zinc/72/15/53/1384721553.db2.gz KPHAOTCWHXKEFT-MHTWAQMVSA-N 2 1 328.500 3.419 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC(C4COC4)C2)C3)cc1 ZINC001172079216 1384721844 /nfs/dbraw/zinc/72/18/44/1384721844.db2.gz MZZRSDNJJUHVTR-WKCHPHFGSA-N 2 1 326.484 3.150 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC([NH3+])(Cc3ccc(F)cc3)CC1)C2 ZINC001172109031 1384727888 /nfs/dbraw/zinc/72/78/88/1384727888.db2.gz BNKZQRGSYVMPKR-ACDBMABISA-N 2 1 345.506 3.177 20 0 EGADMP COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CCC2 ZINC001172111204 1384729401 /nfs/dbraw/zinc/72/94/01/1384729401.db2.gz UBKKZSAYNZBXJN-GNBUJSLZSA-N 2 1 342.483 3.456 20 0 EGADMP COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001172111204 1384729409 /nfs/dbraw/zinc/72/94/09/1384729409.db2.gz UBKKZSAYNZBXJN-GNBUJSLZSA-N 2 1 342.483 3.456 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@](C)(NC(=O)OC(C)(C)C)C1)C2 ZINC001172110509 1384729967 /nfs/dbraw/zinc/72/99/67/1384729967.db2.gz NUEPMLWXIHNINZ-OPUUGCDFSA-N 2 1 337.508 3.037 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@](C)(NC(=O)OC(C)(C)C)C1)C2 ZINC001172110509 1384729969 /nfs/dbraw/zinc/72/99/69/1384729969.db2.gz NUEPMLWXIHNINZ-OPUUGCDFSA-N 2 1 337.508 3.037 20 0 EGADMP CC[C@H](CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)NC(=O)OC(C)(C)C ZINC001172116497 1384732929 /nfs/dbraw/zinc/73/29/29/1384732929.db2.gz HOYGKJLHUOGJOW-VQHPVUNQSA-N 2 1 339.524 3.285 20 0 EGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]([C@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119046 1384733620 /nfs/dbraw/zinc/73/36/20/1384733620.db2.gz RSYAAWYYUSYUAA-FCGDIQPGSA-N 2 1 349.563 3.013 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001172120918 1384734206 /nfs/dbraw/zinc/73/42/06/1384734206.db2.gz HJZMQUUHFUXCDU-WKCHPHFGSA-N 2 1 327.516 3.210 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001172120918 1384734215 /nfs/dbraw/zinc/73/42/15/1384734215.db2.gz HJZMQUUHFUXCDU-WKCHPHFGSA-N 2 1 327.516 3.210 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001172120918 1384734219 /nfs/dbraw/zinc/73/42/19/1384734219.db2.gz HJZMQUUHFUXCDU-WKCHPHFGSA-N 2 1 327.516 3.210 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1)C2 ZINC001172128531 1384736502 /nfs/dbraw/zinc/73/65/02/1384736502.db2.gz SCAPHLWWAJQGRC-FXUDXRNXSA-N 2 1 334.426 3.027 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1)C2 ZINC001172128531 1384736506 /nfs/dbraw/zinc/73/65/06/1384736506.db2.gz SCAPHLWWAJQGRC-FXUDXRNXSA-N 2 1 334.426 3.027 20 0 EGADMP CCCc1noc([C@@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172129149 1384737418 /nfs/dbraw/zinc/73/74/18/1384737418.db2.gz XARMCIMLPJUJOI-NCOADZHNSA-N 2 1 332.492 3.217 20 0 EGADMP CCCc1noc([C@@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001172129149 1384737422 /nfs/dbraw/zinc/73/74/22/1384737422.db2.gz XARMCIMLPJUJOI-NCOADZHNSA-N 2 1 332.492 3.217 20 0 EGADMP CCCc1noc([C@@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172129149 1384737424 /nfs/dbraw/zinc/73/74/24/1384737424.db2.gz XARMCIMLPJUJOI-NCOADZHNSA-N 2 1 332.492 3.217 20 0 EGADMP C[N@H+](CCCCNC(=O)OC(C)(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130758 1384738006 /nfs/dbraw/zinc/73/80/06/1384738006.db2.gz RGRTXMFOQIQYKG-FVQHAEBGSA-N 2 1 339.524 3.238 20 0 EGADMP C[N@@H+](CCCCNC(=O)OC(C)(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130758 1384738008 /nfs/dbraw/zinc/73/80/08/1384738008.db2.gz RGRTXMFOQIQYKG-FVQHAEBGSA-N 2 1 339.524 3.238 20 0 EGADMP C[NH+](CCCCNC(=O)OC(C)(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172130758 1384738011 /nfs/dbraw/zinc/73/80/11/1384738011.db2.gz RGRTXMFOQIQYKG-FVQHAEBGSA-N 2 1 339.524 3.238 20 0 EGADMP C[NH+](CCCCNC(=O)OC(C)(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172130758 1384738015 /nfs/dbraw/zinc/73/80/15/1384738015.db2.gz RGRTXMFOQIQYKG-FVQHAEBGSA-N 2 1 339.524 3.238 20 0 EGADMP COc1ccccc1[C@H](O)C[N@@H+](C(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172128888 1384738215 /nfs/dbraw/zinc/73/82/15/1384738215.db2.gz VHPDVJZCLHFWBJ-DOADOZAASA-N 2 1 346.515 3.454 20 0 EGADMP COc1ccccc1[C@H](O)C[N@H+](C(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128888 1384738217 /nfs/dbraw/zinc/73/82/17/1384738217.db2.gz VHPDVJZCLHFWBJ-DOADOZAASA-N 2 1 346.515 3.454 20 0 EGADMP COc1ccccc1[C@H](O)C[N@@H+](C(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128888 1384738220 /nfs/dbraw/zinc/73/82/20/1384738220.db2.gz VHPDVJZCLHFWBJ-DOADOZAASA-N 2 1 346.515 3.454 20 0 EGADMP COc1ccccc1[C@H](O)C[NH+](C(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128888 1384738221 /nfs/dbraw/zinc/73/82/21/1384738221.db2.gz VHPDVJZCLHFWBJ-DOADOZAASA-N 2 1 346.515 3.454 20 0 EGADMP COc1ccccc1[C@H](O)C[NH+](C(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128888 1384738224 /nfs/dbraw/zinc/73/82/24/1384738224.db2.gz VHPDVJZCLHFWBJ-DOADOZAASA-N 2 1 346.515 3.454 20 0 EGADMP COCCC[NH+]1CCC([NH2+]C2(CCOC)CCC(F)(F)CC2)CC1 ZINC001172248932 1384756050 /nfs/dbraw/zinc/75/60/50/1384756050.db2.gz TXKRMBPTOPMSCW-UHFFFAOYSA-N 2 1 348.478 3.062 20 0 EGADMP CCOCC[C@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001172425107 1384789172 /nfs/dbraw/zinc/78/91/72/1384789172.db2.gz UBEQMPNOKLOUMB-IBGZPJMESA-N 2 1 346.515 3.169 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])CC1 ZINC001172797128 1384853896 /nfs/dbraw/zinc/85/38/96/1384853896.db2.gz GMOMELLYFLTCIR-BHIYHBOVSA-N 2 1 332.488 3.205 20 0 EGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001172962552 1384891364 /nfs/dbraw/zinc/89/13/64/1384891364.db2.gz FIPMHNNNPOSQFG-ZACQAIPSSA-N 2 1 341.540 3.340 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173005071 1384897099 /nfs/dbraw/zinc/89/70/99/1384897099.db2.gz JHYJEQAYHOFSQH-UHFFFAOYSA-N 2 1 349.494 3.094 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@](O)(C(F)(F)F)C2)CC1 ZINC001173108278 1384916506 /nfs/dbraw/zinc/91/65/06/1384916506.db2.gz ACGRMZBBMLOSCK-UYSNPLJNSA-N 2 1 336.442 3.419 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)CC1 ZINC001173112130 1384916813 /nfs/dbraw/zinc/91/68/13/1384916813.db2.gz QXPXEVQNIPSNKR-GZNCHQMQSA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](Oc3cc(OC)ccn3)C2)CC1 ZINC001173113248 1384917598 /nfs/dbraw/zinc/91/75/98/1384917598.db2.gz IQRFWKDBJGJWQH-FAFZWHIHSA-N 2 1 347.503 3.196 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCc3cccc(C(=O)OC)c3C2)CC1 ZINC001173113308 1384917610 /nfs/dbraw/zinc/91/76/10/1384917610.db2.gz JVSHAHNGAGSBBO-UHFFFAOYSA-N 2 1 344.499 3.484 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](Oc3ncncc3C)C2)CC1 ZINC001173113102 1384917774 /nfs/dbraw/zinc/91/77/74/1384917774.db2.gz HERFOHJMIKPKCT-CTWPCTMYSA-N 2 1 346.519 3.281 20 0 EGADMP c1nc2c(s1)C[C@H]([NH+]1CCC3(CCC[N@@H+]3CC3CC3)CC1)CC2 ZINC001173134889 1384921087 /nfs/dbraw/zinc/92/10/87/1384921087.db2.gz UZLMFESMKZMPKZ-MRXNPFEDSA-N 2 1 331.529 3.341 20 0 EGADMP c1nc2c(s1)C[C@H]([NH+]1C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001173137899 1384921643 /nfs/dbraw/zinc/92/16/43/1384921643.db2.gz OHTIPPXGJZHIBD-FGTMMUONSA-N 2 1 339.508 3.064 20 0 EGADMP c1nc2c(s1)C[C@H]([N@H+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001173137899 1384921646 /nfs/dbraw/zinc/92/16/46/1384921646.db2.gz OHTIPPXGJZHIBD-FGTMMUONSA-N 2 1 339.508 3.064 20 0 EGADMP c1nc2c(s1)C[C@H]([N@@H+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001173137899 1384921649 /nfs/dbraw/zinc/92/16/49/1384921649.db2.gz OHTIPPXGJZHIBD-FGTMMUONSA-N 2 1 339.508 3.064 20 0 EGADMP CC1CC(C[N@H+]2CCCC[C@@H]2CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317170459 1384936911 /nfs/dbraw/zinc/93/69/11/1384936911.db2.gz BITPBRZZPAEMPK-CTWPCTMYSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NC[C@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001317180646 1384956202 /nfs/dbraw/zinc/95/62/02/1384956202.db2.gz LWCJFLXLQKZCBS-HXUWFJFHSA-N 2 1 349.563 3.413 20 0 EGADMP CC[N@H+]1CC[C@@H](n2cc(CC[NH3+])c3cccc(Br)c32)C1 ZINC001173361780 1384964417 /nfs/dbraw/zinc/96/44/17/1384964417.db2.gz WWXBCZSYAYJVQW-CYBMUJFWSA-N 2 1 336.277 3.172 20 0 EGADMP CC[N@H+]1CC[C@H](N2CCC3(CC[C@H]3[NH+](C)Cc3ccco3)CC2)C1 ZINC001173364968 1384964530 /nfs/dbraw/zinc/96/45/30/1384964530.db2.gz WBAZZDXVFNHDKL-PKOBYXMFSA-N 2 1 331.504 3.050 20 0 EGADMP CC[NH+]1CC[C@H](N2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)C1 ZINC001173364968 1384964533 /nfs/dbraw/zinc/96/45/33/1384964533.db2.gz WBAZZDXVFNHDKL-PKOBYXMFSA-N 2 1 331.504 3.050 20 0 EGADMP CC[NH+]1CC[C@H](N2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)C1 ZINC001173364968 1384964535 /nfs/dbraw/zinc/96/45/35/1384964535.db2.gz WBAZZDXVFNHDKL-PKOBYXMFSA-N 2 1 331.504 3.050 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@H](N(c2cccc(C)[nH+]2)C2CC[NH2+]CC2)C1 ZINC001173662834 1384999288 /nfs/dbraw/zinc/99/92/88/1384999288.db2.gz CCELPRWSVCCHHU-AEFFLSMTSA-N 2 1 345.487 3.070 20 0 EGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(C(=O)OC)cc2)C1 ZINC001173721287 1385008997 /nfs/dbraw/zinc/00/89/97/1385008997.db2.gz PMKMYFBBEHCJET-QAPCUYQASA-N 2 1 332.488 3.257 20 0 EGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(C(=O)OC)cc2)C1 ZINC001173721287 1385009002 /nfs/dbraw/zinc/00/90/02/1385009002.db2.gz PMKMYFBBEHCJET-QAPCUYQASA-N 2 1 332.488 3.257 20 0 EGADMP C[NH+](C)Cc1ccc(Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001174446362 1385110316 /nfs/dbraw/zinc/11/03/16/1385110316.db2.gz MXJFLMJHAUEMLI-UHFFFAOYSA-N 2 1 325.456 3.324 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC2CCC2)C1 ZINC001174880851 1385164066 /nfs/dbraw/zinc/16/40/66/1385164066.db2.gz IHJPOSULIRMILN-IEBWSBKVSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C)C1 ZINC001174881933 1385164634 /nfs/dbraw/zinc/16/46/34/1385164634.db2.gz MTAPYEWUZWBZDU-MOPGFXCFSA-N 2 1 339.568 3.419 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC/C=C\c1ccccc1)[NH+](C)C ZINC001317513020 1385226128 /nfs/dbraw/zinc/22/61/28/1385226128.db2.gz RCZOBWXRZVMODE-GJSLFFNZSA-N 2 1 343.515 3.011 20 0 EGADMP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]2CCC[C@H]2C)c1 ZINC001175256919 1385230678 /nfs/dbraw/zinc/23/06/78/1385230678.db2.gz QNMBMCIBEYFFGB-RBUKOAKNSA-N 2 1 345.531 3.244 20 0 EGADMP C[C@@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175256222 1385230693 /nfs/dbraw/zinc/23/06/93/1385230693.db2.gz JFFNWNCRFUEBFE-DLBZAZTESA-N 2 1 349.494 3.075 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175256809 1385230707 /nfs/dbraw/zinc/23/07/07/1385230707.db2.gz PKLCSEORPUNUKC-MSOLQXFVSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175255885 1385230722 /nfs/dbraw/zinc/23/07/22/1385230722.db2.gz IMXLZFUULIENLQ-IRXDYDNUSA-N 2 1 349.494 3.075 20 0 EGADMP C[C@H](CCCC[NH2+]CCCCCF)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175295096 1385241878 /nfs/dbraw/zinc/24/18/78/1385241878.db2.gz AGRHUSGCLUNZPU-QGZVFWFLSA-N 2 1 345.547 3.369 20 0 EGADMP C[NH+]1CCC(CC(=O)NC[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001317530382 1385255287 /nfs/dbraw/zinc/25/52/87/1385255287.db2.gz WXHFQPJAPWSMGD-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC001317544241 1385288375 /nfs/dbraw/zinc/28/83/75/1385288375.db2.gz LGXWFJRMUZRONX-UHFFFAOYSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)[C@@H](C(=O)NCC[N@@H+](CC1CCCCCC1)C1CC1)[NH+](C)C ZINC001317558224 1385331741 /nfs/dbraw/zinc/33/17/41/1385331741.db2.gz DWBWLDSFGDUISN-IBGZPJMESA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+]1CCC(COc2cccc(F)c2NC2=CCC[N@H+](C)C2)CC1 ZINC001175582740 1385339802 /nfs/dbraw/zinc/33/98/02/1385339802.db2.gz LJUGOWJYIPLNHT-UHFFFAOYSA-N 2 1 333.451 3.178 20 0 EGADMP C[NH+]1CCC(COc2cccc(F)c2NC2=CCC[N@@H+](C)C2)CC1 ZINC001175582740 1385339809 /nfs/dbraw/zinc/33/98/09/1385339809.db2.gz LJUGOWJYIPLNHT-UHFFFAOYSA-N 2 1 333.451 3.178 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@H]1CCC[C@H](C)C1 ZINC001317747419 1385435641 /nfs/dbraw/zinc/43/56/41/1385435641.db2.gz TWBWPVWGUVRTBI-ZGXWSNOMSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]1CCC[C@H](C)C1 ZINC001317747419 1385435643 /nfs/dbraw/zinc/43/56/43/1385435643.db2.gz TWBWPVWGUVRTBI-ZGXWSNOMSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H]1CCC[C@H](C)C1 ZINC001317747419 1385435646 /nfs/dbraw/zinc/43/56/46/1385435646.db2.gz TWBWPVWGUVRTBI-ZGXWSNOMSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001176022671 1385463404 /nfs/dbraw/zinc/46/34/04/1385463404.db2.gz CKBXAGUTGHZATL-YLJYHZDGSA-N 2 1 345.531 3.280 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CC1)c1ccccc1 ZINC001176120513 1385490120 /nfs/dbraw/zinc/49/01/20/1385490120.db2.gz RGHPIALKNHGUHE-XLIONFOSSA-N 2 1 345.531 3.354 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176164644 1385499977 /nfs/dbraw/zinc/49/99/77/1385499977.db2.gz CTXVNVQQFVJXPM-MJGOQNOKSA-N 2 1 337.552 3.173 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317805127 1385501572 /nfs/dbraw/zinc/50/15/72/1385501572.db2.gz JAVDFFKBSMJCMB-HKUYNNGSSA-N 2 1 345.531 3.236 20 0 EGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001176281539 1385537747 /nfs/dbraw/zinc/53/77/47/1385537747.db2.gz OCFGFZACISIHQY-UGSOOPFHSA-N 2 1 349.837 3.118 20 0 EGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001176281539 1385537751 /nfs/dbraw/zinc/53/77/51/1385537751.db2.gz OCFGFZACISIHQY-UGSOOPFHSA-N 2 1 349.837 3.118 20 0 EGADMP CN1CC[NH+](Cc2cccc(Nc3ccc(C[NH+](C)C)cc3)c2)CC1 ZINC001176293198 1385541503 /nfs/dbraw/zinc/54/15/03/1385541503.db2.gz GVBPIKLRBJMHFD-UHFFFAOYSA-N 2 1 338.499 3.239 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001317955094 1385585619 /nfs/dbraw/zinc/58/56/19/1385585619.db2.gz DNQXLKRLPWJRIQ-HXUWFJFHSA-N 2 1 349.563 3.413 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317973427 1385594013 /nfs/dbraw/zinc/59/40/13/1385594013.db2.gz XWIKHJOZLJUYNQ-ZCNNSNEGSA-N 2 1 345.531 3.305 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001176753672 1385684062 /nfs/dbraw/zinc/68/40/62/1385684062.db2.gz KEBXJVVJBCNQQL-IBGZPJMESA-N 2 1 347.547 3.408 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]C/C=C/c1ccccc1 ZINC001176754127 1385684159 /nfs/dbraw/zinc/68/41/59/1385684159.db2.gz RCGIGMIGONVQOJ-NRJHKNTJSA-N 2 1 345.531 3.305 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCC1=CCCCC1 ZINC001176754701 1385685149 /nfs/dbraw/zinc/68/51/49/1385685149.db2.gz YLCWXLSBNACNCV-SFHVURJKSA-N 2 1 337.552 3.482 20 0 EGADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001176759902 1385686719 /nfs/dbraw/zinc/68/67/19/1385686719.db2.gz OATFQSOTZOQACD-HKUYNNGSSA-N 2 1 333.520 3.210 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001176759882 1385687058 /nfs/dbraw/zinc/68/70/58/1385687058.db2.gz NPYCXBJJVQYGQE-QUCCMNQESA-N 2 1 345.531 3.326 20 0 EGADMP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001318430281 1385687236 /nfs/dbraw/zinc/68/72/36/1385687236.db2.gz YJDVAEMQUFUQRT-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C(C)C)cc1 ZINC001176971521 1385759834 /nfs/dbraw/zinc/75/98/34/1385759834.db2.gz BFYLTSSNBGZANV-KRWDZBQOSA-N 2 1 333.520 3.307 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001176991447 1385766352 /nfs/dbraw/zinc/76/63/52/1385766352.db2.gz BBLORDDQRRJBBG-RBUKOAKNSA-N 2 1 331.504 3.108 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001176992479 1385767626 /nfs/dbraw/zinc/76/76/26/1385767626.db2.gz RACVFKYDEKMHJI-JCRIEJSWSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(CCC[NH2+]CC2CCC2)CC2CCCC2)C1 ZINC001177415716 1385948927 /nfs/dbraw/zinc/94/89/27/1385948927.db2.gz JEYNSIWINLWYBD-GOSISDBHSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1C ZINC001177484412 1385973988 /nfs/dbraw/zinc/97/39/88/1385973988.db2.gz CSHPMNYDSBDMHH-UHFFFAOYSA-N 2 1 346.519 3.156 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCCC2)c1 ZINC001319389868 1386099648 /nfs/dbraw/zinc/09/96/48/1386099648.db2.gz SHMLBXVEXCKXOC-MJGOQNOKSA-N 2 1 343.515 3.026 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccc1F ZINC001178294833 1386182319 /nfs/dbraw/zinc/18/23/19/1386182319.db2.gz CGXWORQNOOCZRH-HXUWFJFHSA-N 2 1 342.458 3.381 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCCCCC[NH2+]CC(C)C ZINC001178527414 1386242174 /nfs/dbraw/zinc/24/21/74/1386242174.db2.gz LJNLMJVRKCLIBE-KRWDZBQOSA-N 2 1 336.524 3.319 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178689731 1386279232 /nfs/dbraw/zinc/27/92/32/1386279232.db2.gz XERKHCXWCKPVEE-YBXURTSQSA-N 2 1 335.536 3.185 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001319827633 1386321590 /nfs/dbraw/zinc/32/15/90/1386321590.db2.gz RGRWGXRBENPXBQ-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C(C)C)c1 ZINC001319917133 1386388852 /nfs/dbraw/zinc/38/88/52/1386388852.db2.gz JVMCRAJYWGIALL-XLIONFOSSA-N 2 1 345.531 3.271 20 0 EGADMP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179383018 1386468384 /nfs/dbraw/zinc/46/83/84/1386468384.db2.gz GBVFLPMSGQHHFU-OALUTQOASA-N 2 1 339.568 3.419 20 0 EGADMP Cc1cccc(C[N@H+](C)CCN(C)C(=O)CCC[NH+]2CCCCC2)c1 ZINC001320086082 1386502645 /nfs/dbraw/zinc/50/26/45/1386502645.db2.gz WHONOWPKSAYFJQ-UHFFFAOYSA-N 2 1 345.531 3.151 20 0 EGADMP CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001179654108 1386541216 /nfs/dbraw/zinc/54/12/16/1386541216.db2.gz DRGHKJZZSONDBW-UXHICEINSA-N 2 1 345.531 3.008 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001320169273 1386545651 /nfs/dbraw/zinc/54/56/51/1386545651.db2.gz CNHCBICJOQFVQI-MOPGFXCFSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001179777477 1386581814 /nfs/dbraw/zinc/58/18/14/1386581814.db2.gz XIGREUMPCGPFKA-MRXNPFEDSA-N 2 1 334.508 3.045 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC001320364969 1386589059 /nfs/dbraw/zinc/58/90/59/1386589059.db2.gz SQEPMURKFLRPHR-JKSUJKDBSA-N 2 1 341.499 3.355 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)[C@@H]1C ZINC001179976558 1386655419 /nfs/dbraw/zinc/65/54/19/1386655419.db2.gz STROVQDONJLVNW-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+][C@H]1CCc2ccccc21 ZINC001180124516 1386704554 /nfs/dbraw/zinc/70/45/54/1386704554.db2.gz YUSIHCYMDHHTDL-FQEVSTJZSA-N 2 1 345.531 3.282 20 0 EGADMP Cc1cc(C[NH2+]CCCCCCNC(=O)Cn2cc[nH+]c2C)cs1 ZINC001180274389 1386752419 /nfs/dbraw/zinc/75/24/19/1386752419.db2.gz AXMWLDZJNCKTOC-UHFFFAOYSA-N 2 1 348.516 3.028 20 0 EGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001180372842 1386777448 /nfs/dbraw/zinc/77/74/48/1386777448.db2.gz IASCMKBJUKCJPG-ZMBJWTFHSA-N 2 1 337.552 3.483 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001180451513 1386800666 /nfs/dbraw/zinc/80/06/66/1386800666.db2.gz DJBRBKVHSXUEMT-UHFFFAOYSA-N 2 1 345.531 3.351 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001180451513 1386800674 /nfs/dbraw/zinc/80/06/74/1386800674.db2.gz DJBRBKVHSXUEMT-UHFFFAOYSA-N 2 1 345.531 3.351 20 0 EGADMP CSC(C)(C)CC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001181638389 1387028020 /nfs/dbraw/zinc/02/80/20/1387028020.db2.gz RKRLCPSYYUVTCI-UHFFFAOYSA-N 2 1 349.588 3.268 20 0 EGADMP CC[NH+]1CCC(CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)CC1 ZINC001181997446 1387090590 /nfs/dbraw/zinc/09/05/90/1387090590.db2.gz ZZEIVVGFRADVNQ-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1cccc2ccccc21)[NH+](C)C ZINC001322244662 1387118641 /nfs/dbraw/zinc/11/86/41/1387118641.db2.gz OIHLMIQNUMRUSU-JXFKEZNVSA-N 2 1 341.499 3.117 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001182614768 1387197290 /nfs/dbraw/zinc/19/72/90/1387197290.db2.gz QHYFUTGLFSFZSV-DBXWQHBBSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001182807333 1387228088 /nfs/dbraw/zinc/22/80/88/1387228088.db2.gz QUCAVSLNZDRKTA-SVFBPWRDSA-N 2 1 349.563 3.290 20 0 EGADMP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)NC2CCCCCC2)n1 ZINC001322860739 1387247946 /nfs/dbraw/zinc/24/79/46/1387247946.db2.gz FAWLKSYRKWFQQA-SFHVURJKSA-N 2 1 344.503 3.105 20 0 EGADMP Cc1cccc(NC[C@@H]2CCCN2CC(=O)NC2CCCCCC2)n1 ZINC001322860739 1387247948 /nfs/dbraw/zinc/24/79/48/1387247948.db2.gz FAWLKSYRKWFQQA-SFHVURJKSA-N 2 1 344.503 3.105 20 0 EGADMP [NH3+][C@H](c1noc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1)c1ccccc1 ZINC001329412135 1389101613 /nfs/dbraw/zinc/10/16/13/1389101613.db2.gz UKDXXKMBJVORRP-OALUTQOASA-N 2 1 348.450 3.497 20 0 EGADMP [NH3+][C@H](c1noc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1)c1ccccc1 ZINC001329412135 1389101617 /nfs/dbraw/zinc/10/16/17/1389101617.db2.gz UKDXXKMBJVORRP-OALUTQOASA-N 2 1 348.450 3.497 20 0 EGADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC001329618709 1389187201 /nfs/dbraw/zinc/18/72/01/1389187201.db2.gz BSUPQGKQUBIOSF-RUXRUEEXSA-N 2 1 341.499 3.282 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CC1=CCCCC1)[NH+](C)C ZINC001329935935 1389264550 /nfs/dbraw/zinc/26/45/50/1389264550.db2.gz IIMNMMKQYLWMDH-OALUTQOASA-N 2 1 335.536 3.188 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1Cl ZINC001330999215 1389590582 /nfs/dbraw/zinc/59/05/82/1389590582.db2.gz DXNRJPMDAJZMCF-GYABFAJESA-N 2 1 349.906 3.494 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)cc(C)c1 ZINC001698749547 1406400400 /nfs/dbraw/zinc/40/04/00/1406400400.db2.gz WCSLRTPJUQXWSN-AZUAARDMSA-N 2 1 345.531 3.020 20 0 EGADMP CC[C@@]1(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC[NH2+]C1 ZINC001332093407 1389979184 /nfs/dbraw/zinc/97/91/84/1389979184.db2.gz JUSRMXWJAJGOKO-DYESRHJHSA-N 2 1 343.515 3.067 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H]2C)cs1 ZINC001332183538 1390026031 /nfs/dbraw/zinc/02/60/31/1390026031.db2.gz DDGJMBJRCNZUDA-DOTOQJQBSA-N 2 1 349.544 3.010 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001332220342 1390052355 /nfs/dbraw/zinc/05/23/55/1390052355.db2.gz SSTWPABJJPQYBT-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001332220342 1390052359 /nfs/dbraw/zinc/05/23/59/1390052359.db2.gz SSTWPABJJPQYBT-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001332220342 1390052365 /nfs/dbraw/zinc/05/23/65/1390052365.db2.gz SSTWPABJJPQYBT-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP Cc1cccc(C)c1C[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001698769303 1406427344 /nfs/dbraw/zinc/42/73/44/1406427344.db2.gz YKRWKUHNOZWYCD-MRXNPFEDSA-N 2 1 347.547 3.123 20 0 EGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001340242673 1390257718 /nfs/dbraw/zinc/25/77/18/1390257718.db2.gz VZKAOLRPGGYZCK-RTBURBONSA-N 2 1 345.531 3.121 20 0 EGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001341341055 1390473903 /nfs/dbraw/zinc/47/39/03/1390473903.db2.gz FMOMKUWFEAQNBO-FGTMMUONSA-N 2 1 334.504 3.487 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(Br)n2)C1 ZINC001334356632 1390524064 /nfs/dbraw/zinc/52/40/64/1390524064.db2.gz YIWFOYPXHKXZTB-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(Br)n2)C1 ZINC001334356632 1390524067 /nfs/dbraw/zinc/52/40/67/1390524067.db2.gz YIWFOYPXHKXZTB-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@H](O)c2c(F)cccc2F)n1 ZINC001335063513 1390637008 /nfs/dbraw/zinc/63/70/08/1390637008.db2.gz ZVQZRDFNQDLYCD-YOEHRIQHSA-N 2 1 347.409 3.278 20 0 EGADMP Cc1cccc(NC[C@@H]2CCCN2C[C@H](O)c2c(F)cccc2F)n1 ZINC001335063513 1390637011 /nfs/dbraw/zinc/63/70/11/1390637011.db2.gz ZVQZRDFNQDLYCD-YOEHRIQHSA-N 2 1 347.409 3.278 20 0 EGADMP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001342959655 1390677869 /nfs/dbraw/zinc/67/78/69/1390677869.db2.gz HFZPHZLKPWCJBA-KBPBESRZSA-N 2 1 344.425 3.129 20 0 EGADMP CN(C)c1ncccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001343285018 1390704983 /nfs/dbraw/zinc/70/49/83/1390704983.db2.gz NBQPBQUPVOCHJZ-UHFFFAOYSA-N 2 1 339.487 3.060 20 0 EGADMP CCC[C@@H](NC(=O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1)c1ccccc1 ZINC001346016333 1390901078 /nfs/dbraw/zinc/90/10/78/1390901078.db2.gz ALCPAHASMPWGCT-LJQANCHMSA-N 2 1 343.515 3.110 20 0 EGADMP O=C(C[N@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1cccc2ccccc21 ZINC001349390646 1391326573 /nfs/dbraw/zinc/32/65/73/1391326573.db2.gz YRFCLXIYWKFWPO-UHFFFAOYSA-N 2 1 337.467 3.244 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)[C@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC001698847985 1406550147 /nfs/dbraw/zinc/55/01/47/1406550147.db2.gz LZRTYAIGLJNBBW-IAGOWNOFSA-N 2 1 342.487 3.169 20 0 EGADMP C[C@H]([NH2+]CC1CC1)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001479826885 1392414330 /nfs/dbraw/zinc/41/43/30/1392414330.db2.gz OXPCXYIPKPITFB-PXNSSMCTSA-N 2 1 349.563 3.410 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCCC[N@H+]1CCCC1CCC1 ZINC001480333165 1392691964 /nfs/dbraw/zinc/69/19/64/1392691964.db2.gz WAZWLKSEMIBIGI-FQEVSTJZSA-N 2 1 349.563 3.413 20 0 EGADMP CCc1cccc(C[NH+](C)[C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)c1 ZINC001480740430 1392906987 /nfs/dbraw/zinc/90/69/87/1392906987.db2.gz YZOPGBASOIUEBE-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1cccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)c1 ZINC001480740430 1392906989 /nfs/dbraw/zinc/90/69/89/1392906989.db2.gz YZOPGBASOIUEBE-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1cccc(C[N@H+](C)[C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)c1 ZINC001480740430 1392906994 /nfs/dbraw/zinc/90/69/94/1392906994.db2.gz YZOPGBASOIUEBE-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001480794547 1392938405 /nfs/dbraw/zinc/93/84/05/1392938405.db2.gz HANFHTGOJFEXDA-QGZVFWFLSA-N 2 1 348.535 3.461 20 0 EGADMP C[C@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001481333371 1393165575 /nfs/dbraw/zinc/16/55/75/1393165575.db2.gz CQCXSBBZLUTNNF-KRWDZBQOSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001481340150 1393167645 /nfs/dbraw/zinc/16/76/45/1393167645.db2.gz OTWUEAQTCGHZHA-SFHVURJKSA-N 2 1 345.531 3.135 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCCC1CCCC1 ZINC001698916711 1406651253 /nfs/dbraw/zinc/65/12/53/1406651253.db2.gz LUHDZUFCKLKSIR-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001490561149 1394261788 /nfs/dbraw/zinc/26/17/88/1394261788.db2.gz VMESYGIGSXYGSN-CRAIPNDOSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001490561149 1394261791 /nfs/dbraw/zinc/26/17/91/1394261791.db2.gz VMESYGIGSXYGSN-CRAIPNDOSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001490561149 1394261796 /nfs/dbraw/zinc/26/17/96/1394261796.db2.gz VMESYGIGSXYGSN-CRAIPNDOSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001490561149 1394261803 /nfs/dbraw/zinc/26/18/03/1394261803.db2.gz VMESYGIGSXYGSN-CRAIPNDOSA-N 2 1 349.494 3.055 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001481412184 1394271939 /nfs/dbraw/zinc/27/19/39/1394271939.db2.gz RCQJLDVMGSMWCB-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001481412184 1394271943 /nfs/dbraw/zinc/27/19/43/1394271943.db2.gz RCQJLDVMGSMWCB-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CCCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001490613152 1394282412 /nfs/dbraw/zinc/28/24/12/1394282412.db2.gz XGJHYOWQBDRLOB-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001491126774 1394442979 /nfs/dbraw/zinc/44/29/79/1394442979.db2.gz SQQCHNWFYHCNHD-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP Cc1cccc(C)c1C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001482381579 1394941284 /nfs/dbraw/zinc/94/12/84/1394941284.db2.gz XRRKPAQARNSACB-AZUAARDMSA-N 2 1 345.531 3.018 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@]1(C)CCC[N@H+](CC2CCC2)C1 ZINC001484170489 1395310214 /nfs/dbraw/zinc/31/02/14/1395310214.db2.gz ROLUQBIQJOCJRM-FQEVSTJZSA-N 2 1 346.519 3.025 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@]1(C)CCC[N@@H+](CC2CCC2)C1 ZINC001484170489 1395310216 /nfs/dbraw/zinc/31/02/16/1395310216.db2.gz ROLUQBIQJOCJRM-FQEVSTJZSA-N 2 1 346.519 3.025 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001484718012 1395479312 /nfs/dbraw/zinc/47/93/12/1395479312.db2.gz HBMGRCNHJKXYQK-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1ccccc1F ZINC001485040608 1395647358 /nfs/dbraw/zinc/64/73/58/1395647358.db2.gz QQRCANDPDFUTNJ-IRXDYDNUSA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCCC(C)(C)C ZINC001698991765 1406782400 /nfs/dbraw/zinc/78/24/00/1406782400.db2.gz ZZDXNUBONJMKJK-SFHVURJKSA-N 2 1 339.568 3.323 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCCC(C)(C)C ZINC001698991765 1406782405 /nfs/dbraw/zinc/78/24/05/1406782405.db2.gz ZZDXNUBONJMKJK-SFHVURJKSA-N 2 1 339.568 3.323 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCCC(C)(C)C ZINC001698991765 1406782409 /nfs/dbraw/zinc/78/24/09/1406782409.db2.gz ZZDXNUBONJMKJK-SFHVURJKSA-N 2 1 339.568 3.323 20 0 EGADMP Cc1ccc(C)c(C[N@H+](C)[C@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001485389770 1395879692 /nfs/dbraw/zinc/87/96/92/1395879692.db2.gz VJRAINTZFBXIMS-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001485531899 1396002112 /nfs/dbraw/zinc/00/21/12/1396002112.db2.gz BGHVVLLAMCXNOK-JKSUJKDBSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001494156047 1396387751 /nfs/dbraw/zinc/38/77/51/1396387751.db2.gz FCLWOCPLLMEALX-IAGOWNOFSA-N 2 1 349.494 3.009 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001494875380 1396504322 /nfs/dbraw/zinc/50/43/22/1396504322.db2.gz HQSKURCLYULZKX-FQEVSTJZSA-N 2 1 345.531 3.087 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001494875380 1396504326 /nfs/dbraw/zinc/50/43/26/1396504326.db2.gz HQSKURCLYULZKX-FQEVSTJZSA-N 2 1 345.531 3.087 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001494875380 1396504327 /nfs/dbraw/zinc/50/43/27/1396504327.db2.gz HQSKURCLYULZKX-FQEVSTJZSA-N 2 1 345.531 3.087 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001494875380 1396504329 /nfs/dbraw/zinc/50/43/29/1396504329.db2.gz HQSKURCLYULZKX-FQEVSTJZSA-N 2 1 345.531 3.087 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001690293546 1404453259 /nfs/dbraw/zinc/45/32/59/1404453259.db2.gz ZGXCVSVCTSNXMC-WGSAOQKQSA-N 2 1 346.519 3.179 20 0 EGADMP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001690505124 1404617776 /nfs/dbraw/zinc/61/77/76/1404617776.db2.gz OCOYMJMTMMJLNI-AZUAARDMSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@@H+](CC(=O)NC1CCC([NH2+]CC2CCCCCC2)CC1)C1CCC1 ZINC001690535857 1404625346 /nfs/dbraw/zinc/62/53/46/1404625346.db2.gz RTNWXVMRIURRKN-UHFFFAOYSA-N 2 1 349.563 3.458 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1 ZINC001690713902 1404696359 /nfs/dbraw/zinc/69/63/59/1404696359.db2.gz ZDZZIMMGRFBPBM-XLIONFOSSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC001725179464 1425701923 /nfs/dbraw/zinc/70/19/23/1425701923.db2.gz QYECMYNSOAEFHZ-KRWDZBQOSA-N 2 1 341.499 3.118 20 0 EGADMP CCCC[N@@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001690816965 1404751238 /nfs/dbraw/zinc/75/12/38/1404751238.db2.gz HAVVLMRAFSQZNF-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001690947320 1404855585 /nfs/dbraw/zinc/85/55/85/1404855585.db2.gz KYCZXTLXLFXTPV-FXAWDEMLSA-N 2 1 343.515 3.203 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001690947320 1404855591 /nfs/dbraw/zinc/85/55/91/1404855591.db2.gz KYCZXTLXLFXTPV-FXAWDEMLSA-N 2 1 343.515 3.203 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001690947320 1404855596 /nfs/dbraw/zinc/85/55/96/1404855596.db2.gz KYCZXTLXLFXTPV-FXAWDEMLSA-N 2 1 343.515 3.203 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CCC[NH+]1CCCC(C)(C)C)CC(C)(C)C ZINC001691097350 1405034995 /nfs/dbraw/zinc/03/49/95/1405034995.db2.gz KCXFHAOGVATQKG-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCC[N@@H+]1CCCC(C)(C)C)CC(C)(C)C ZINC001691097350 1405034998 /nfs/dbraw/zinc/03/49/98/1405034998.db2.gz KCXFHAOGVATQKG-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCC[N@H+]1CCCC(C)(C)C)CC(C)(C)C ZINC001691097350 1405035000 /nfs/dbraw/zinc/03/50/00/1405035000.db2.gz KCXFHAOGVATQKG-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP O=C(NCC[N@@H+](CC1CCCC1)C1CC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001691212845 1405152362 /nfs/dbraw/zinc/15/23/62/1405152362.db2.gz AYKAWVNDHMZMJA-HXUWFJFHSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NCC[NH+](CC1CCCC1)C1CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001691212845 1405152366 /nfs/dbraw/zinc/15/23/66/1405152366.db2.gz AYKAWVNDHMZMJA-HXUWFJFHSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NCC[NH+](CC1CCCC1)C1CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001691212845 1405152370 /nfs/dbraw/zinc/15/23/70/1405152370.db2.gz AYKAWVNDHMZMJA-HXUWFJFHSA-N 2 1 347.547 3.164 20 0 EGADMP CCC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](C)c1ccccc1F ZINC001691409288 1405246117 /nfs/dbraw/zinc/24/61/17/1405246117.db2.gz AWWPHIDCSAZJNM-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](C)c1ccccc1F ZINC001691409288 1405246122 /nfs/dbraw/zinc/24/61/22/1405246122.db2.gz AWWPHIDCSAZJNM-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)c1ccccc1F ZINC001691409288 1405246124 /nfs/dbraw/zinc/24/61/24/1405246124.db2.gz AWWPHIDCSAZJNM-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)c1ccccc1F ZINC001691409288 1405246130 /nfs/dbraw/zinc/24/61/30/1405246130.db2.gz AWWPHIDCSAZJNM-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP CCCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001691867333 1405588786 /nfs/dbraw/zinc/58/87/86/1405588786.db2.gz RTHZMYAHMHKCEM-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)CCC[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001692225740 1405855845 /nfs/dbraw/zinc/85/58/45/1405855845.db2.gz QFISGJDRXASTER-LJQANCHMSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CCC[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001692225740 1405855848 /nfs/dbraw/zinc/85/58/48/1405855848.db2.gz QFISGJDRXASTER-LJQANCHMSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001692225739 1405856503 /nfs/dbraw/zinc/85/65/03/1405856503.db2.gz QFISGJDRXASTER-IBGZPJMESA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001692225739 1405856505 /nfs/dbraw/zinc/85/65/05/1405856505.db2.gz QFISGJDRXASTER-IBGZPJMESA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001698575178 1406183089 /nfs/dbraw/zinc/18/30/89/1406183089.db2.gz SAACOOFHVPDMLF-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](CC)c2ccccc2)C1 ZINC001698575178 1406183091 /nfs/dbraw/zinc/18/30/91/1406183091.db2.gz SAACOOFHVPDMLF-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC001698575178 1406183093 /nfs/dbraw/zinc/18/30/93/1406183093.db2.gz SAACOOFHVPDMLF-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001698585158 1406200836 /nfs/dbraw/zinc/20/08/36/1406200836.db2.gz LECJFIDEXJMSBW-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP C[C@@H](c1ccccc1F)[N@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001732055584 1428299236 /nfs/dbraw/zinc/29/92/36/1428299236.db2.gz ZCPRFHHFEWFZID-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001732165010 1428406973 /nfs/dbraw/zinc/40/69/73/1428406973.db2.gz JBXKBTFCAYKPAF-UXHICEINSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001732165010 1428406978 /nfs/dbraw/zinc/40/69/78/1428406978.db2.gz JBXKBTFCAYKPAF-UXHICEINSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001732165010 1428406979 /nfs/dbraw/zinc/40/69/79/1428406979.db2.gz JBXKBTFCAYKPAF-UXHICEINSA-N 2 1 343.515 3.155 20 0 EGADMP CCC(CC)C[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2C)CCCC[C@@H]1C ZINC001732264328 1428504146 /nfs/dbraw/zinc/50/41/46/1428504146.db2.gz ZPPMKSJXGDFGBG-JXFKEZNVSA-N 2 1 348.535 3.282 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+](CCCC(C)(C)C)C3)CC2)CC[N@H+]1C ZINC001732402242 1428567396 /nfs/dbraw/zinc/56/73/96/1428567396.db2.gz GWIFFRICBUOHGO-QZTJIDSGSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H](C[NH2+][C@H]1CCCc2ccccc21)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001699380171 1412689077 /nfs/dbraw/zinc/68/90/77/1412689077.db2.gz BBXIPISPAIUWSG-APWZRJJASA-N 2 1 345.531 3.136 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001699467826 1412838860 /nfs/dbraw/zinc/83/88/60/1412838860.db2.gz OGUUYQDTGUIFST-RTBURBONSA-N 2 1 345.531 3.224 20 0 EGADMP CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001699677423 1413072355 /nfs/dbraw/zinc/07/23/55/1413072355.db2.gz SCCZGLSGWGMAMQ-HXUWFJFHSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@]1(C)CC[N@H+](CCC2CCCC2)C1 ZINC001699822383 1413245436 /nfs/dbraw/zinc/24/54/36/1413245436.db2.gz XUVQHYPGYKKUHE-HXUWFJFHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@]1(C)CC[N@@H+](CCC2CCCC2)C1 ZINC001699822383 1413245439 /nfs/dbraw/zinc/24/54/39/1413245439.db2.gz XUVQHYPGYKKUHE-HXUWFJFHSA-N 2 1 346.519 3.167 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001699825904 1413251110 /nfs/dbraw/zinc/25/11/10/1413251110.db2.gz JZYWEWNYNSQAOG-PZJWPPBQSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+]([C@@H](CC)c2ccccc2)C1 ZINC001699825904 1413251111 /nfs/dbraw/zinc/25/11/11/1413251111.db2.gz JZYWEWNYNSQAOG-PZJWPPBQSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC001699825904 1413251114 /nfs/dbraw/zinc/25/11/14/1413251114.db2.gz JZYWEWNYNSQAOG-PZJWPPBQSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C)cc2)CC1(C)C ZINC001700293241 1413750154 /nfs/dbraw/zinc/75/01/54/1413750154.db2.gz CPXRDGMZULOPCQ-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)CC1(C)C ZINC001700293241 1413750156 /nfs/dbraw/zinc/75/01/56/1413750156.db2.gz CPXRDGMZULOPCQ-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)CC1(C)C ZINC001700293241 1413750160 /nfs/dbraw/zinc/75/01/60/1413750160.db2.gz CPXRDGMZULOPCQ-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CCCC(C)(C)C ZINC001700318991 1413782636 /nfs/dbraw/zinc/78/26/36/1413782636.db2.gz XVOBRLBVWNKASL-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)CC(C)(C)C[NH2+]CC1CC(C)C1 ZINC001700446701 1414024194 /nfs/dbraw/zinc/02/41/94/1414024194.db2.gz XMFHZQVVZGWJRA-UHFFFAOYSA-N 2 1 348.535 3.127 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCCCC[N@H+]2CCCC2CCC2)CCC1 ZINC001700526496 1414188598 /nfs/dbraw/zinc/18/85/98/1414188598.db2.gz ZIVYUQQHJQEMAD-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CCCc1ccc(C[N@@H+](C)CCN(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC001732585597 1428798408 /nfs/dbraw/zinc/79/84/08/1428798408.db2.gz SYZZHMKNESZOPD-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001700903661 1414559009 /nfs/dbraw/zinc/55/90/09/1414559009.db2.gz IWXHWABYLJQVJX-RTBURBONSA-N 2 1 345.531 3.039 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@H]1C[NH2+]CCC(C)C ZINC001713262377 1417870990 /nfs/dbraw/zinc/87/09/90/1417870990.db2.gz HGLZPIYRROYPKY-MSOLQXFVSA-N 2 1 348.535 3.413 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)CC1CCCCCC1 ZINC001713497426 1418209379 /nfs/dbraw/zinc/20/93/79/1418209379.db2.gz MMENKBQPVCCBDR-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)CC1CCCCCC1 ZINC001713497426 1418209382 /nfs/dbraw/zinc/20/93/82/1418209382.db2.gz MMENKBQPVCCBDR-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)CC1CCCCCC1 ZINC001713497426 1418209383 /nfs/dbraw/zinc/20/93/83/1418209383.db2.gz MMENKBQPVCCBDR-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)CC1CCC1 ZINC001713546465 1418316478 /nfs/dbraw/zinc/31/64/78/1418316478.db2.gz MTSUTDNQBYUGOQ-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)CC1CCC1 ZINC001713546465 1418316483 /nfs/dbraw/zinc/31/64/83/1418316483.db2.gz MTSUTDNQBYUGOQ-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)CC1CCC1 ZINC001713546465 1418316487 /nfs/dbraw/zinc/31/64/87/1418316487.db2.gz MTSUTDNQBYUGOQ-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](CCC)C1 ZINC001713722611 1418497503 /nfs/dbraw/zinc/49/75/03/1418497503.db2.gz QGDJICPXQVLKNS-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001713757753 1418562111 /nfs/dbraw/zinc/56/21/11/1418562111.db2.gz LJIJXIDEHPNDDP-IAGOWNOFSA-N 2 1 349.494 3.009 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001713757753 1418562112 /nfs/dbraw/zinc/56/21/12/1418562112.db2.gz LJIJXIDEHPNDDP-IAGOWNOFSA-N 2 1 349.494 3.009 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001713757753 1418562113 /nfs/dbraw/zinc/56/21/13/1418562113.db2.gz LJIJXIDEHPNDDP-IAGOWNOFSA-N 2 1 349.494 3.009 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001714091403 1418885168 /nfs/dbraw/zinc/88/51/68/1418885168.db2.gz HJMUJDPAHUEXCO-FQEVSTJZSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@@H](CC)c1ccccc1 ZINC001714140113 1418942411 /nfs/dbraw/zinc/94/24/11/1418942411.db2.gz XFANZKJSOWAZST-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001714146505 1418951555 /nfs/dbraw/zinc/95/15/55/1418951555.db2.gz XJHNBAGNPGGRKK-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001714146505 1418951559 /nfs/dbraw/zinc/95/15/59/1418951559.db2.gz XJHNBAGNPGGRKK-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001714146505 1418951561 /nfs/dbraw/zinc/95/15/61/1418951561.db2.gz XJHNBAGNPGGRKK-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H](C)CNC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC001714277778 1419057615 /nfs/dbraw/zinc/05/76/15/1419057615.db2.gz DUBAVPWWCWDXIV-IAGOWNOFSA-N 2 1 342.487 3.170 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001714448321 1419180759 /nfs/dbraw/zinc/18/07/59/1419180759.db2.gz PFJSIWOGMUGPBB-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001714448321 1419180762 /nfs/dbraw/zinc/18/07/62/1419180762.db2.gz PFJSIWOGMUGPBB-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001714448321 1419180765 /nfs/dbraw/zinc/18/07/65/1419180765.db2.gz PFJSIWOGMUGPBB-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2cc(C)ccc2C)C1 ZINC001714449033 1419181509 /nfs/dbraw/zinc/18/15/09/1419181509.db2.gz XWDJOUBJGBYEES-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(C)ccc2C)C1 ZINC001714449033 1419181511 /nfs/dbraw/zinc/18/15/11/1419181511.db2.gz XWDJOUBJGBYEES-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(C)ccc2C)C1 ZINC001714449033 1419181513 /nfs/dbraw/zinc/18/15/13/1419181513.db2.gz XWDJOUBJGBYEES-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[C@@H](C)[NH2+]CC1CCCCC1 ZINC001714491279 1419214556 /nfs/dbraw/zinc/21/45/56/1419214556.db2.gz YAOAJLJNYILJGO-MRXNPFEDSA-N 2 1 334.508 3.071 20 0 EGADMP Cc1cc(C[NH2+]C2(CNC(=O)C[N@H+](C)C3CCC3)CCCC2)cs1 ZINC001714497782 1419222048 /nfs/dbraw/zinc/22/20/48/1419222048.db2.gz ZNSASIQIPXBWQS-UHFFFAOYSA-N 2 1 349.544 3.059 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001714762018 1419498278 /nfs/dbraw/zinc/49/82/78/1419498278.db2.gz BMSJVCOEGPCYFG-UYAOXDASSA-N 2 1 345.531 3.367 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001714829096 1419539198 /nfs/dbraw/zinc/53/91/98/1419539198.db2.gz CMEXBNQPNKOWFW-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001714881379 1419618059 /nfs/dbraw/zinc/61/80/59/1419618059.db2.gz AZNRSVNBTWUSEK-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001714881379 1419618060 /nfs/dbraw/zinc/61/80/60/1419618060.db2.gz AZNRSVNBTWUSEK-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001714881379 1419618061 /nfs/dbraw/zinc/61/80/61/1419618061.db2.gz AZNRSVNBTWUSEK-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001715066858 1419803423 /nfs/dbraw/zinc/80/34/23/1419803423.db2.gz VOWQUMJWACCUSS-QUCCMNQESA-N 2 1 345.531 3.081 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCCC1)CC2 ZINC001715216584 1419949485 /nfs/dbraw/zinc/94/94/85/1419949485.db2.gz IBQNLMTUQBEFCE-UHFFFAOYSA-N 2 1 349.563 3.367 20 0 EGADMP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001715249793 1419975318 /nfs/dbraw/zinc/97/53/18/1419975318.db2.gz AXPYPLVIJZORDM-AZUAARDMSA-N 2 1 345.531 3.100 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC2CCCCC2)C1 ZINC001715322267 1420029505 /nfs/dbraw/zinc/02/95/05/1420029505.db2.gz QDDXKNXVQDCKHZ-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)[C@@H](C)C1 ZINC001715422352 1420114316 /nfs/dbraw/zinc/11/43/16/1420114316.db2.gz PLFOGZDDMZWZPO-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+](C)CCC2CC2)CC1 ZINC001715472090 1420151226 /nfs/dbraw/zinc/15/12/26/1420151226.db2.gz TXZCJYXKPYYRAA-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC(CC[N@H+](C)CCC2CC2)CC1 ZINC001715472090 1420151228 /nfs/dbraw/zinc/15/12/28/1420151228.db2.gz TXZCJYXKPYYRAA-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC(CC[N@@H+](C)CCC2CC2)CC1 ZINC001715472090 1420151230 /nfs/dbraw/zinc/15/12/30/1420151230.db2.gz TXZCJYXKPYYRAA-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](C)CCC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001715481841 1420160955 /nfs/dbraw/zinc/16/09/55/1420160955.db2.gz RKLHBXYVEMAEBJ-UHFFFAOYSA-N 2 1 337.533 3.004 20 0 EGADMP CC1CC(C[N@@H+](C)CCN(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001715521357 1420207962 /nfs/dbraw/zinc/20/79/62/1420207962.db2.gz PWLQNKAYQQNKDY-ACBHZAAOSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[NH+](C)CCN(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001715521357 1420207965 /nfs/dbraw/zinc/20/79/65/1420207965.db2.gz PWLQNKAYQQNKDY-ACBHZAAOSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[NH+](C)CCN(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001715521357 1420207967 /nfs/dbraw/zinc/20/79/67/1420207967.db2.gz PWLQNKAYQQNKDY-ACBHZAAOSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@@H]21 ZINC001715541630 1420239562 /nfs/dbraw/zinc/23/95/62/1420239562.db2.gz AZAKURBALPPRJU-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)CC[C@@H]21 ZINC001715541630 1420239564 /nfs/dbraw/zinc/23/95/64/1420239564.db2.gz AZAKURBALPPRJU-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)CC[C@@H]21 ZINC001715541630 1420239567 /nfs/dbraw/zinc/23/95/67/1420239567.db2.gz AZAKURBALPPRJU-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)CCN(C)C(=O)C[NH+]2CCC(C)CC2)c1 ZINC001715976226 1420436182 /nfs/dbraw/zinc/43/61/82/1420436182.db2.gz FARQYHCMICOITD-IBGZPJMESA-N 2 1 345.531 3.178 20 0 EGADMP C[C@H](C[N@@H+](C)CCCC1CCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716031132 1420489726 /nfs/dbraw/zinc/48/97/26/1420489726.db2.gz RLNPIQWTIFDJDI-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cc(C)ccc1C ZINC001716072157 1420528001 /nfs/dbraw/zinc/52/80/01/1420528001.db2.gz CLJHDMGZOFSGCO-ICSRJNTNSA-N 2 1 345.531 3.020 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001716418318 1420646051 /nfs/dbraw/zinc/64/60/51/1420646051.db2.gz LDBJLKVWXHAISA-SJORKVTESA-N 2 1 347.547 3.481 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001716485001 1420703353 /nfs/dbraw/zinc/70/33/53/1420703353.db2.gz LXYFKYGSRPKWOQ-HKUYNNGSSA-N 2 1 343.515 3.203 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001716723156 1420880700 /nfs/dbraw/zinc/88/07/00/1420880700.db2.gz AFQYSAXVERSHCE-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001716767771 1420912916 /nfs/dbraw/zinc/91/29/16/1420912916.db2.gz PQUXOJBFLKWMQU-AEFFLSMTSA-N 2 1 348.535 3.412 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001717125038 1421127250 /nfs/dbraw/zinc/12/72/50/1421127250.db2.gz XITLFFBUVFDWGY-KBAYOESNSA-N 2 1 346.519 3.043 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC001717202203 1421170441 /nfs/dbraw/zinc/17/04/41/1421170441.db2.gz OMLUNAHDIQVGCV-UYAOXDASSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(C)c2)CC1 ZINC001717202203 1421170443 /nfs/dbraw/zinc/17/04/43/1421170443.db2.gz OMLUNAHDIQVGCV-UYAOXDASSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2cccc(C)c2)CC1 ZINC001717202203 1421170445 /nfs/dbraw/zinc/17/04/45/1421170445.db2.gz OMLUNAHDIQVGCV-UYAOXDASSA-N 2 1 345.531 3.369 20 0 EGADMP Cc1ccccc1C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001717206382 1421177153 /nfs/dbraw/zinc/17/71/53/1421177153.db2.gz IMLJOUKAXJVRSA-HXUWFJFHSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1ccccc1C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001717206382 1421177155 /nfs/dbraw/zinc/17/71/55/1421177155.db2.gz IMLJOUKAXJVRSA-HXUWFJFHSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1ccccc1C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001717206382 1421177158 /nfs/dbraw/zinc/17/71/58/1421177158.db2.gz IMLJOUKAXJVRSA-HXUWFJFHSA-N 2 1 345.531 3.148 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001717371314 1421310621 /nfs/dbraw/zinc/31/06/21/1421310621.db2.gz OBSVZLZJIYOMRG-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001717748107 1421610660 /nfs/dbraw/zinc/61/06/60/1421610660.db2.gz ATSVEPGNFJZPOD-KRWDZBQOSA-N 2 1 347.547 3.262 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2CC)[C@@H]1C ZINC001717860198 1421672662 /nfs/dbraw/zinc/67/26/62/1421672662.db2.gz IERBHYXZMHHZMS-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2CC)[C@@H]1C ZINC001717860198 1421672665 /nfs/dbraw/zinc/67/26/65/1421672665.db2.gz IERBHYXZMHHZMS-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2CC)[C@@H]1C ZINC001717860198 1421672667 /nfs/dbraw/zinc/67/26/67/1421672667.db2.gz IERBHYXZMHHZMS-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001717998873 1421766178 /nfs/dbraw/zinc/76/61/78/1421766178.db2.gz JUMZFXMQIGKVSF-VIQWUECVSA-N 2 1 345.531 3.367 20 0 EGADMP C[N@@H+](CCC(=O)NC1(C)CC[NH+](CCC2CC2)CC1)C1CCCCC1 ZINC001733359590 1429542438 /nfs/dbraw/zinc/54/24/38/1429542438.db2.gz HFECKLHHYAMWMI-UHFFFAOYSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@]1(NC(=O)CCC[NH+]2CCCC2)CC[N@@H+](CCCC2CCCC2)C1 ZINC001733418600 1429623952 /nfs/dbraw/zinc/62/39/52/1429623952.db2.gz XUKWOIFCVBOPFO-NRFANRHFSA-N 2 1 349.563 3.413 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@](C)(C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001733441048 1429648535 /nfs/dbraw/zinc/64/85/35/1429648535.db2.gz MQWAAZOVQKUGCC-OXQOHEQNSA-N 2 1 349.494 3.057 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@H](C)c1ccccc1Cl ZINC001722904623 1424230627 /nfs/dbraw/zinc/23/06/27/1424230627.db2.gz KALIFCLOIVQMLX-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)[C@H](C)c1ccccc1Cl ZINC001722904623 1424230629 /nfs/dbraw/zinc/23/06/29/1424230629.db2.gz KALIFCLOIVQMLX-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC001722904623 1424230631 /nfs/dbraw/zinc/23/06/31/1424230631.db2.gz KALIFCLOIVQMLX-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C1CCCCCC1 ZINC001723639495 1424504391 /nfs/dbraw/zinc/50/43/91/1424504391.db2.gz HRPTWXAJBPMVNX-IBGZPJMESA-N 2 1 337.552 3.410 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CCCCCC1 ZINC001723639495 1424504395 /nfs/dbraw/zinc/50/43/95/1424504395.db2.gz HRPTWXAJBPMVNX-IBGZPJMESA-N 2 1 337.552 3.410 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CCCCCC1 ZINC001723639495 1424504402 /nfs/dbraw/zinc/50/44/02/1424504402.db2.gz HRPTWXAJBPMVNX-IBGZPJMESA-N 2 1 337.552 3.410 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@]1(C)CCC[NH+](CC2CCCCC2)C1 ZINC001724340536 1424833414 /nfs/dbraw/zinc/83/34/14/1424833414.db2.gz LTUIPFOZTBNFPC-FQEVSTJZSA-N 2 1 337.552 3.127 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+](CC2CCCCC2)C1 ZINC001724340536 1424833422 /nfs/dbraw/zinc/83/34/22/1424833422.db2.gz LTUIPFOZTBNFPC-FQEVSTJZSA-N 2 1 337.552 3.127 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@@H+](CC2CCCCC2)C1 ZINC001724340536 1424833426 /nfs/dbraw/zinc/83/34/26/1424833426.db2.gz LTUIPFOZTBNFPC-FQEVSTJZSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001724554867 1424910489 /nfs/dbraw/zinc/91/04/89/1424910489.db2.gz NVFQSQQUJGFAIA-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C1CCC1)C2 ZINC001724615264 1424962504 /nfs/dbraw/zinc/96/25/04/1424962504.db2.gz YODFXXXGQCSYKU-FNLKRUPLSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)C2 ZINC001724615264 1424962511 /nfs/dbraw/zinc/96/25/11/1424962511.db2.gz YODFXXXGQCSYKU-FNLKRUPLSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001724615264 1424962515 /nfs/dbraw/zinc/96/25/15/1424962515.db2.gz YODFXXXGQCSYKU-FNLKRUPLSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001724836021 1425183921 /nfs/dbraw/zinc/18/39/21/1425183921.db2.gz LHPBPPTXJRALFZ-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[NH+](CC3CCC3)C2)C1 ZINC001724859499 1425241847 /nfs/dbraw/zinc/24/18/47/1425241847.db2.gz AYCXTHHEJYNDCI-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](CC3CCC3)C2)C1 ZINC001724859499 1425241850 /nfs/dbraw/zinc/24/18/50/1425241850.db2.gz AYCXTHHEJYNDCI-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC001724859499 1425241854 /nfs/dbraw/zinc/24/18/54/1425241854.db2.gz AYCXTHHEJYNDCI-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](CCCC1CCC1)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001725025618 1425443877 /nfs/dbraw/zinc/44/38/77/1425443877.db2.gz HJEFUTMIAXVGAB-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CCCC1CCC1)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001725025618 1425443880 /nfs/dbraw/zinc/44/38/80/1425443880.db2.gz HJEFUTMIAXVGAB-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CCCC1CCC1)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001725025618 1425443885 /nfs/dbraw/zinc/44/38/85/1425443885.db2.gz HJEFUTMIAXVGAB-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H](c1ccccc1)[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001725197134 1425750597 /nfs/dbraw/zinc/75/05/97/1425750597.db2.gz SGAGUSSJCFALJT-ZWKOTPCHSA-N 2 1 331.504 3.060 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCCCCF)C2)cc1 ZINC001731354510 1427293849 /nfs/dbraw/zinc/29/38/49/1427293849.db2.gz IMSJDTQBBPMHQS-IBGZPJMESA-N 2 1 349.494 3.082 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1CCCC(C)(C)C ZINC001731544087 1427559526 /nfs/dbraw/zinc/55/95/26/1427559526.db2.gz WJIGZHGEOJLVRF-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@@H+]1CCCC(C)(C)C ZINC001731544087 1427559530 /nfs/dbraw/zinc/55/95/30/1427559530.db2.gz WJIGZHGEOJLVRF-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@H+]1CCCC(C)(C)C ZINC001731544087 1427559536 /nfs/dbraw/zinc/55/95/36/1427559536.db2.gz WJIGZHGEOJLVRF-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001731560326 1427595200 /nfs/dbraw/zinc/59/52/00/1427595200.db2.gz VOZCQXGCYMDYGS-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC001731560326 1427595203 /nfs/dbraw/zinc/59/52/03/1427595203.db2.gz VOZCQXGCYMDYGS-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001731560326 1427595209 /nfs/dbraw/zinc/59/52/09/1427595209.db2.gz VOZCQXGCYMDYGS-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP C[C@@H](CNC(=O)C[N@H+](C)Cc1ccccc1)[NH2+]CC1CCCCCC1 ZINC001731638864 1427696100 /nfs/dbraw/zinc/69/61/00/1427696100.db2.gz LPNDKUPKLSHUDV-SFHVURJKSA-N 2 1 345.531 3.183 20 0 EGADMP C[C@@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)[NH2+]CC1CCCCCC1 ZINC001731638864 1427696103 /nfs/dbraw/zinc/69/61/03/1427696103.db2.gz LPNDKUPKLSHUDV-SFHVURJKSA-N 2 1 345.531 3.183 20 0 EGADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+](CC)CCNC(=O)Cc1c[nH]cn1 ZINC001731812834 1427998628 /nfs/dbraw/zinc/99/86/28/1427998628.db2.gz GLCJRPOWWABOMX-QGZVFWFLSA-N 2 1 348.878 3.195 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001731835892 1428051056 /nfs/dbraw/zinc/05/10/56/1428051056.db2.gz UBSZLKKZGCVAQK-KRWDZBQOSA-N 2 1 334.508 3.023 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001731835892 1428051057 /nfs/dbraw/zinc/05/10/57/1428051057.db2.gz UBSZLKKZGCVAQK-KRWDZBQOSA-N 2 1 334.508 3.023 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001731842096 1428064137 /nfs/dbraw/zinc/06/41/37/1428064137.db2.gz NYDLVHZEXIRAOS-QUCCMNQESA-N 2 1 343.515 3.204 20 0 EGADMP CCc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)CC2)cc1 ZINC001733762488 1429979091 /nfs/dbraw/zinc/97/90/91/1429979091.db2.gz NXFFJSMPXKINBZ-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1ccccc1 ZINC001733778871 1430035766 /nfs/dbraw/zinc/03/57/66/1430035766.db2.gz PKLSYKYWMWUADI-FQEVSTJZSA-N 2 1 345.531 3.230 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)CCC[N@H+](C)Cc1ccccc1 ZINC001733778871 1430035780 /nfs/dbraw/zinc/03/57/80/1430035780.db2.gz PKLSYKYWMWUADI-FQEVSTJZSA-N 2 1 345.531 3.230 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1 ZINC001733778871 1430035792 /nfs/dbraw/zinc/03/57/92/1430035792.db2.gz PKLSYKYWMWUADI-FQEVSTJZSA-N 2 1 345.531 3.230 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)[C@@H](C)c1ccc(F)cc1 ZINC001733936167 1437750202 /nfs/dbraw/zinc/75/02/02/1437750202.db2.gz APIKTNVEFLZEMO-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001733936167 1437750204 /nfs/dbraw/zinc/75/02/04/1437750204.db2.gz APIKTNVEFLZEMO-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001733936167 1437750206 /nfs/dbraw/zinc/75/02/06/1437750206.db2.gz APIKTNVEFLZEMO-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)[C@@H](CC)c1ccccc1 ZINC001733938712 1437754165 /nfs/dbraw/zinc/75/41/65/1437754165.db2.gz RLULYEMAJQTIJE-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)[C@@H](CC)c1ccccc1 ZINC001733938712 1437754168 /nfs/dbraw/zinc/75/41/68/1437754168.db2.gz RLULYEMAJQTIJE-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@@H](CC)c1ccccc1 ZINC001733938712 1437754169 /nfs/dbraw/zinc/75/41/69/1437754169.db2.gz RLULYEMAJQTIJE-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001734121273 1437901679 /nfs/dbraw/zinc/90/16/79/1437901679.db2.gz IMHNPQZAWYKPKJ-IAGOWNOFSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H]([NH2+]CCC1CCCC1)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001752147611 1440146398 /nfs/dbraw/zinc/14/63/98/1440146398.db2.gz VPIAJHMUDKFTAI-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](C(=O)NCCC[N@@H+](CC1CC(C)C1)C1CC1)[NH+]1CCCCCC1 ZINC001752279012 1440164355 /nfs/dbraw/zinc/16/43/55/1440164355.db2.gz NSUNZUDNIDSSME-JLAWEPINSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001752405582 1440173876 /nfs/dbraw/zinc/17/38/76/1440173876.db2.gz XZOAZWGGUMHISS-BBIZLLLXSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001752427003 1440177624 /nfs/dbraw/zinc/17/76/24/1440177624.db2.gz MPXSXECMUMNLAS-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001752440030 1440181121 /nfs/dbraw/zinc/18/11/21/1440181121.db2.gz SNWTWGRYJBJFGF-IEBWSBKVSA-N 2 1 335.536 3.115 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001752527710 1440193409 /nfs/dbraw/zinc/19/34/09/1440193409.db2.gz MZMOVFPKSZIKKV-RBUKOAKNSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001752527710 1440193410 /nfs/dbraw/zinc/19/34/10/1440193410.db2.gz MZMOVFPKSZIKKV-RBUKOAKNSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001752527710 1440193411 /nfs/dbraw/zinc/19/34/11/1440193411.db2.gz MZMOVFPKSZIKKV-RBUKOAKNSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)[C@H](C)c2ccccc2)C1 ZINC001752527668 1440193482 /nfs/dbraw/zinc/19/34/82/1440193482.db2.gz LXMRCUYHRDJDKD-MOPGFXCFSA-N 2 1 345.531 3.260 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H](C[N@H+](C)[C@H](C)c2ccccc2)C1 ZINC001752527668 1440193483 /nfs/dbraw/zinc/19/34/83/1440193483.db2.gz LXMRCUYHRDJDKD-MOPGFXCFSA-N 2 1 345.531 3.260 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H](C[N@@H+](C)[C@H](C)c2ccccc2)C1 ZINC001752527668 1440193484 /nfs/dbraw/zinc/19/34/84/1440193484.db2.gz LXMRCUYHRDJDKD-MOPGFXCFSA-N 2 1 345.531 3.260 20 0 EGADMP CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001752544756 1440195060 /nfs/dbraw/zinc/19/50/60/1440195060.db2.gz FSXBKWWNOASEMJ-KDURUIRLSA-N 2 1 335.536 3.118 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001752702451 1440201746 /nfs/dbraw/zinc/20/17/46/1440201746.db2.gz KADPLTIHIQCNLH-YQQQUEKLSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001752702451 1440201747 /nfs/dbraw/zinc/20/17/47/1440201747.db2.gz KADPLTIHIQCNLH-YQQQUEKLSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001752702451 1440201748 /nfs/dbraw/zinc/20/17/48/1440201748.db2.gz KADPLTIHIQCNLH-YQQQUEKLSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1)[NH+](C)C ZINC001752787996 1440212149 /nfs/dbraw/zinc/21/21/49/1440212149.db2.gz YTJKQIAZXFHSFV-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001752789329 1440213186 /nfs/dbraw/zinc/21/31/86/1440213186.db2.gz YICONCHWFOUABA-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC001752789329 1440213187 /nfs/dbraw/zinc/21/31/87/1440213187.db2.gz YICONCHWFOUABA-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001752789329 1440213188 /nfs/dbraw/zinc/21/31/88/1440213188.db2.gz YICONCHWFOUABA-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC001752809372 1440216387 /nfs/dbraw/zinc/21/63/87/1440216387.db2.gz DSEVJABYIKKMFC-IBGZPJMESA-N 2 1 337.552 3.127 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001752819573 1440219671 /nfs/dbraw/zinc/21/96/71/1440219671.db2.gz YREODOLQMGAMAV-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCC[N@H+]2CCCC(C)(C)C)CC1 ZINC001752819850 1440219741 /nfs/dbraw/zinc/21/97/41/1440219741.db2.gz DLGVLUONLLGGHU-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001752823128 1440221934 /nfs/dbraw/zinc/22/19/34/1440221934.db2.gz VZQJWEKZBVMJBB-RBUKOAKNSA-N 2 1 337.552 3.410 20 0 EGADMP CCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001752823128 1440221935 /nfs/dbraw/zinc/22/19/35/1440221935.db2.gz VZQJWEKZBVMJBB-RBUKOAKNSA-N 2 1 337.552 3.410 20 0 EGADMP CCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001752823128 1440221936 /nfs/dbraw/zinc/22/19/36/1440221936.db2.gz VZQJWEKZBVMJBB-RBUKOAKNSA-N 2 1 337.552 3.410 20 0 EGADMP CC/C=C\CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001752828239 1440224477 /nfs/dbraw/zinc/22/44/77/1440224477.db2.gz SQCXYGLEPITDKR-XSXCZSQGSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001752828239 1440224478 /nfs/dbraw/zinc/22/44/78/1440224478.db2.gz SQCXYGLEPITDKR-XSXCZSQGSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001752828239 1440224479 /nfs/dbraw/zinc/22/44/79/1440224479.db2.gz SQCXYGLEPITDKR-XSXCZSQGSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)(C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCC1)[NH+]1CCCC1 ZINC001752828478 1440224559 /nfs/dbraw/zinc/22/45/59/1440224559.db2.gz YOIUHYUOQDOUHD-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001752839140 1440229130 /nfs/dbraw/zinc/22/91/30/1440229130.db2.gz BRKBTQTXMXGYIM-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001752876999 1440238320 /nfs/dbraw/zinc/23/83/20/1440238320.db2.gz KVSRCNNLEFMFPL-FUHWJXTLSA-N 2 1 337.552 3.172 20 0 EGADMP Cc1ccc(C)c(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001752884859 1440239668 /nfs/dbraw/zinc/23/96/68/1440239668.db2.gz HMWNCNTUIDAFDK-ICSRJNTNSA-N 2 1 345.531 3.018 20 0 EGADMP Cc1ccc(C)c(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001752884858 1440239733 /nfs/dbraw/zinc/23/97/33/1440239733.db2.gz HMWNCNTUIDAFDK-AZUAARDMSA-N 2 1 345.531 3.018 20 0 EGADMP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1C ZINC001752902394 1440243350 /nfs/dbraw/zinc/24/33/50/1440243350.db2.gz ALGNWUXVEKUAFJ-QUCCMNQESA-N 2 1 345.531 3.161 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001752962383 1440253546 /nfs/dbraw/zinc/25/35/46/1440253546.db2.gz DJWDBONRKOCAOA-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001752983753 1440257699 /nfs/dbraw/zinc/25/76/99/1440257699.db2.gz OOZFPHJVXFKSFP-DLBZAZTESA-N 2 1 334.508 3.035 20 0 EGADMP CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752995157 1440261660 /nfs/dbraw/zinc/26/16/60/1440261660.db2.gz OZGJSGJJTULGPH-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[NH+](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001752995157 1440261661 /nfs/dbraw/zinc/26/16/61/1440261661.db2.gz OZGJSGJJTULGPH-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[NH+](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001752995157 1440261662 /nfs/dbraw/zinc/26/16/62/1440261662.db2.gz OZGJSGJJTULGPH-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001752996883 1440262465 /nfs/dbraw/zinc/26/24/65/1440262465.db2.gz QHJKKDGGAGVUPU-IEBWSBKVSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[C@@H]([N@@H+](C)CCC3=CCCCC3)C2)CC1 ZINC001752997893 1440262900 /nfs/dbraw/zinc/26/29/00/1440262900.db2.gz ZGQKNMCAAWVJGN-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CCC1CCCCC1 ZINC001753012786 1440267338 /nfs/dbraw/zinc/26/73/38/1440267338.db2.gz LOITZVUHVVBAAT-AOIWGVFYSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC=C(C)C ZINC001753027191 1440271811 /nfs/dbraw/zinc/27/18/11/1440271811.db2.gz FWGDNKAVKARFDM-RBUKOAKNSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC=C(C)C ZINC001753027191 1440271812 /nfs/dbraw/zinc/27/18/12/1440271812.db2.gz FWGDNKAVKARFDM-RBUKOAKNSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC=C(C)C ZINC001753027191 1440271813 /nfs/dbraw/zinc/27/18/13/1440271813.db2.gz FWGDNKAVKARFDM-RBUKOAKNSA-N 2 1 335.536 3.188 20 0 EGADMP C[NH+](C)C1(C(=O)NCCC[C@@H]2CCC[N@H+]2CC2CC(C)(C)C2)CCC1 ZINC001753028265 1440271907 /nfs/dbraw/zinc/27/19/07/1440271907.db2.gz XZOXJSJETKQVON-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001753033888 1440273890 /nfs/dbraw/zinc/27/38/90/1440273890.db2.gz VJFCMPNPRMTJEO-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NCCC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001753033888 1440273891 /nfs/dbraw/zinc/27/38/91/1440273891.db2.gz VJFCMPNPRMTJEO-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NCCC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001753033888 1440273892 /nfs/dbraw/zinc/27/38/92/1440273892.db2.gz VJFCMPNPRMTJEO-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001753039738 1440275777 /nfs/dbraw/zinc/27/57/77/1440275777.db2.gz JAVSTQWJJCEZIR-IBGZPJMESA-N 2 1 331.504 3.133 20 0 EGADMP CCCc1ccc(C[N@@H+](C)CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001753074288 1440290311 /nfs/dbraw/zinc/29/03/11/1440290311.db2.gz GLKNPSBMGIDFAZ-ROUUACIJSA-N 2 1 345.531 3.060 20 0 EGADMP C[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)CCC1CCCCCC1 ZINC001753074227 1440290382 /nfs/dbraw/zinc/29/03/82/1440290382.db2.gz DFGLUWNXYHZEMA-UHFFFAOYSA-N 2 1 337.552 3.271 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001753075509 1440291090 /nfs/dbraw/zinc/29/10/90/1440291090.db2.gz AGIGXSRENLZUOS-IBGZPJMESA-N 2 1 345.531 3.370 20 0 EGADMP CC/C=C\CC[N@@H+](CC)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001753084372 1440295341 /nfs/dbraw/zinc/29/53/41/1440295341.db2.gz MVNGQSQLIVMXAS-SREVYHEPSA-N 2 1 328.460 3.051 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001753112348 1440308958 /nfs/dbraw/zinc/30/89/58/1440308958.db2.gz AVQAKVUNHVKUEX-XOIGSVRCSA-N 2 1 335.536 3.188 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001753112346 1440308965 /nfs/dbraw/zinc/30/89/65/1440308965.db2.gz AVQAKVUNHVKUEX-WFRZBGSESA-N 2 1 335.536 3.188 20 0 EGADMP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001753240475 1440342178 /nfs/dbraw/zinc/34/21/78/1440342178.db2.gz UITLQQSCIBITAS-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001753313243 1440357906 /nfs/dbraw/zinc/35/79/06/1440357906.db2.gz WGEOAGKOZCCNML-UXHICEINSA-N 2 1 345.531 3.352 20 0 EGADMP CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](CCC)C1 ZINC001753319605 1440362187 /nfs/dbraw/zinc/36/21/87/1440362187.db2.gz IUURYKDFMWVRRQ-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001753328460 1440367708 /nfs/dbraw/zinc/36/77/08/1440367708.db2.gz TWNSNEOXAHSJNY-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001753328460 1440367709 /nfs/dbraw/zinc/36/77/09/1440367709.db2.gz TWNSNEOXAHSJNY-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001753328460 1440367710 /nfs/dbraw/zinc/36/77/10/1440367710.db2.gz TWNSNEOXAHSJNY-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001753337259 1440372892 /nfs/dbraw/zinc/37/28/92/1440372892.db2.gz JYYISOHGATTZAO-LJQANCHMSA-N 2 1 343.515 3.156 20 0 EGADMP CCC/C=C\CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001753354344 1440379234 /nfs/dbraw/zinc/37/92/34/1440379234.db2.gz DRCHPFGXUUUWIP-KDHUBKHVSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001753354344 1440379235 /nfs/dbraw/zinc/37/92/35/1440379235.db2.gz DRCHPFGXUUUWIP-KDHUBKHVSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001753354344 1440379236 /nfs/dbraw/zinc/37/92/36/1440379236.db2.gz DRCHPFGXUUUWIP-KDHUBKHVSA-N 2 1 349.563 3.243 20 0 EGADMP CCCCCC[N@@H+](C)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001753366319 1440385399 /nfs/dbraw/zinc/38/53/99/1440385399.db2.gz VSTJEWXUSTWHHD-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+](C)CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001753366319 1440385400 /nfs/dbraw/zinc/38/54/00/1440385400.db2.gz VSTJEWXUSTWHHD-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+](C)CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001753366319 1440385401 /nfs/dbraw/zinc/38/54/01/1440385401.db2.gz VSTJEWXUSTWHHD-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001753459487 1440410096 /nfs/dbraw/zinc/41/00/96/1440410096.db2.gz OFMMXTHVOWYULI-UYAOXDASSA-N 2 1 345.531 3.321 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001753460387 1440410171 /nfs/dbraw/zinc/41/01/71/1440410171.db2.gz XCFKWIVRYVFBHG-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CC(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001753547925 1440434526 /nfs/dbraw/zinc/43/45/26/1440434526.db2.gz JQYHJXSDVPMWBZ-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001753575471 1440439145 /nfs/dbraw/zinc/43/91/45/1440439145.db2.gz IXWXCYRDBQATCF-PMACEKPBSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001753639489 1440454031 /nfs/dbraw/zinc/45/40/31/1440454031.db2.gz HBEXCBZPAAOILC-PKOBYXMFSA-N 2 1 349.563 3.031 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)cc(C)c1 ZINC001753645038 1440455544 /nfs/dbraw/zinc/45/55/44/1440455544.db2.gz QSQRUHBLPIMSTN-QUCCMNQESA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CCCC1 ZINC001753665832 1440460178 /nfs/dbraw/zinc/46/01/78/1440460178.db2.gz PDXFLZXMLGSFDZ-GOSISDBHSA-N 2 1 337.552 3.172 20 0 EGADMP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCCC1 ZINC001753671126 1440462097 /nfs/dbraw/zinc/46/20/97/1440462097.db2.gz RLXSPUPJYYGVSQ-QWNKOJSDSA-N 2 1 335.536 3.236 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001753671319 1440462156 /nfs/dbraw/zinc/46/21/56/1440462156.db2.gz VJQQIAIHZKPMMB-CALCHBBNSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1=CCCCC1 ZINC001753726076 1440474513 /nfs/dbraw/zinc/47/45/13/1440474513.db2.gz MAHIJFDRVJSDQE-MJGOQNOKSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cccc2ccccc21 ZINC001753729339 1440475348 /nfs/dbraw/zinc/47/53/48/1440475348.db2.gz KXZDVDOBMBSSPV-QGZVFWFLSA-N 2 1 341.499 3.117 20 0 EGADMP C[C@@H](C[NH2+]CC1CCCCC1)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001753729222 1440475378 /nfs/dbraw/zinc/47/53/78/1440475378.db2.gz IPQGJHRBQSKERW-FXAWDEMLSA-N 2 1 345.531 3.306 20 0 EGADMP CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CCCCC1 ZINC001753745712 1440480894 /nfs/dbraw/zinc/48/08/94/1440480894.db2.gz IMKAWSACNPROOH-MOPGFXCFSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001753800095 1440490669 /nfs/dbraw/zinc/49/06/69/1440490669.db2.gz VHJJXFSJPYYSEC-QZTJIDSGSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCCC1CCC1 ZINC001753811947 1440492937 /nfs/dbraw/zinc/49/29/37/1440492937.db2.gz BWHPMBRRIKSENG-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP CC1CC(C[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001753858963 1440510457 /nfs/dbraw/zinc/51/04/57/1440510457.db2.gz XRIOWSUMCAKYHV-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC1CC(C[NH+](C)CCN(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001753858963 1440510458 /nfs/dbraw/zinc/51/04/58/1440510458.db2.gz XRIOWSUMCAKYHV-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC1CC(C[NH+](C)CCN(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001753858963 1440510459 /nfs/dbraw/zinc/51/04/59/1440510459.db2.gz XRIOWSUMCAKYHV-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001753903430 1440523765 /nfs/dbraw/zinc/52/37/65/1440523765.db2.gz XIBRCJVPANXDLR-OALUTQOASA-N 2 1 337.552 3.172 20 0 EGADMP CCN(CC[NH2+]CC1CCCCCC1)C(=O)Cn1cc[nH+]c1C(C)C ZINC001754069698 1440537969 /nfs/dbraw/zinc/53/79/69/1440537969.db2.gz FWJFQEPVKRSTQO-UHFFFAOYSA-N 2 1 348.535 3.415 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001754120362 1440542728 /nfs/dbraw/zinc/54/27/28/1440542728.db2.gz SCAWZIJEYMFHQK-HLIGJIKWSA-N 2 1 347.478 3.022 20 0 EGADMP C[C@H]([NH2+]C/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001754173353 1440547328 /nfs/dbraw/zinc/54/73/28/1440547328.db2.gz LUVWEBAJKQYZDS-WNEUIUNWSA-N 2 1 349.906 3.005 20 0 EGADMP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cs1 ZINC001754179096 1440548007 /nfs/dbraw/zinc/54/80/07/1440548007.db2.gz AIWZMZFCRVMIQW-QWNKOJSDSA-N 2 1 349.544 3.081 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C1CC1 ZINC001754228494 1440553745 /nfs/dbraw/zinc/55/37/45/1440553745.db2.gz KCGOGSVAWIEMND-UZLBHIALSA-N 2 1 343.515 3.033 20 0 EGADMP C[C@H](C[N@@H+](C)CC1CCCCCC1)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001754312863 1440574004 /nfs/dbraw/zinc/57/40/04/1440574004.db2.gz JVZWYXMTYGFFMB-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](C[NH+](C)CC1CCCCCC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001754312863 1440574005 /nfs/dbraw/zinc/57/40/05/1440574005.db2.gz JVZWYXMTYGFFMB-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](C[NH+](C)CC1CCCCCC1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001754312863 1440574006 /nfs/dbraw/zinc/57/40/06/1440574006.db2.gz JVZWYXMTYGFFMB-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001754314190 1440574690 /nfs/dbraw/zinc/57/46/90/1440574690.db2.gz MMISXTKZDHDIKV-QZTJIDSGSA-N 2 1 343.515 3.121 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001754374060 1440592881 /nfs/dbraw/zinc/59/28/81/1440592881.db2.gz VQSKFPNPFLCZBD-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)CCC[NH2+]CC1CCCCC1 ZINC001754399925 1440595137 /nfs/dbraw/zinc/59/51/37/1440595137.db2.gz PAIITCBEOJHYBP-UHFFFAOYSA-N 2 1 334.508 3.025 20 0 EGADMP CCCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1CC ZINC001754466529 1440604321 /nfs/dbraw/zinc/60/43/21/1440604321.db2.gz FXBZLWRMEJPVCR-ROUUACIJSA-N 2 1 348.535 3.413 20 0 EGADMP CCCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1CC ZINC001754466530 1440604404 /nfs/dbraw/zinc/60/44/04/1440604404.db2.gz FXBZLWRMEJPVCR-ZWKOTPCHSA-N 2 1 348.535 3.413 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NC[C@@H]1CC[NH+]1CCCC1CCC1 ZINC001754487863 1440608982 /nfs/dbraw/zinc/60/89/82/1440608982.db2.gz RHENTDJDKFVRMM-IBGZPJMESA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCC1 ZINC001754487863 1440608983 /nfs/dbraw/zinc/60/89/83/1440608983.db2.gz RHENTDJDKFVRMM-IBGZPJMESA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCC1 ZINC001754487863 1440608984 /nfs/dbraw/zinc/60/89/84/1440608984.db2.gz RHENTDJDKFVRMM-IBGZPJMESA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001754622086 1440645490 /nfs/dbraw/zinc/64/54/90/1440645490.db2.gz DYDNLXKPJKNMQF-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH2+]C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1CCCC1 ZINC001754651726 1440652108 /nfs/dbraw/zinc/65/21/08/1440652108.db2.gz SWGKDTGXBRJUCS-GOSISDBHSA-N 2 1 337.552 3.314 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001754682797 1440663438 /nfs/dbraw/zinc/66/34/38/1440663438.db2.gz FHNVSFVNSYCLOZ-OXQOHEQNSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC001754682797 1440663439 /nfs/dbraw/zinc/66/34/39/1440663439.db2.gz FHNVSFVNSYCLOZ-OXQOHEQNSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC001754682797 1440663440 /nfs/dbraw/zinc/66/34/40/1440663440.db2.gz FHNVSFVNSYCLOZ-OXQOHEQNSA-N 2 1 349.494 3.199 20 0 EGADMP CCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001754700441 1440667921 /nfs/dbraw/zinc/66/79/21/1440667921.db2.gz YJXDPORREUFZRP-AZUAARDMSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](CC(=O)NCC1(C)CC[NH+](CC2CC(C)(C)C2)CC1)C1CCC1 ZINC001754718214 1440672161 /nfs/dbraw/zinc/67/21/61/1440672161.db2.gz UCUVVGHPRNIGOY-UHFFFAOYSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001754727476 1440677308 /nfs/dbraw/zinc/67/73/08/1440677308.db2.gz MLBIJFOIVJIYNF-WIYYLYMNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001754727476 1440677309 /nfs/dbraw/zinc/67/73/09/1440677309.db2.gz MLBIJFOIVJIYNF-WIYYLYMNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001754727476 1440677310 /nfs/dbraw/zinc/67/73/10/1440677310.db2.gz MLBIJFOIVJIYNF-WIYYLYMNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCCC(C)C)CC[N@H+]1C ZINC001754864226 1440702113 /nfs/dbraw/zinc/70/21/13/1440702113.db2.gz AFURHDZLOWTFMA-YRPNKDGESA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCCC(C)C)CC[NH+]1C ZINC001754864226 1440702114 /nfs/dbraw/zinc/70/21/14/1440702114.db2.gz AFURHDZLOWTFMA-YRPNKDGESA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCCC(C)C)CC[NH+]1C ZINC001754864226 1440702115 /nfs/dbraw/zinc/70/21/15/1440702115.db2.gz AFURHDZLOWTFMA-YRPNKDGESA-N 2 1 349.563 3.218 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC(C)(C)C ZINC001754867832 1440703541 /nfs/dbraw/zinc/70/35/41/1440703541.db2.gz LJPMWQKNOCXJDS-MSOLQXFVSA-N 2 1 346.519 3.083 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC(C)(C)C ZINC001754867832 1440703542 /nfs/dbraw/zinc/70/35/42/1440703542.db2.gz LJPMWQKNOCXJDS-MSOLQXFVSA-N 2 1 346.519 3.083 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001754867888 1440703599 /nfs/dbraw/zinc/70/35/99/1440703599.db2.gz HKELHKCNUGUGJM-YZBXUTEPSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001754867888 1440703600 /nfs/dbraw/zinc/70/36/00/1440703600.db2.gz HKELHKCNUGUGJM-YZBXUTEPSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001754867888 1440703601 /nfs/dbraw/zinc/70/36/01/1440703601.db2.gz HKELHKCNUGUGJM-YZBXUTEPSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001754947688 1440713769 /nfs/dbraw/zinc/71/37/69/1440713769.db2.gz QZCRXSWDLDSTSE-INIZCTEOSA-N 2 1 331.504 3.094 20 0 EGADMP CC1CCC(C[NH2+]C2(CNC(=O)CC[C@H]3CCC[N@H+]3C)CCC2)CC1 ZINC001754982170 1440721589 /nfs/dbraw/zinc/72/15/89/1440721589.db2.gz QJXCKUHDXSJHHE-CTWPCTMYSA-N 2 1 349.563 3.316 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001755042118 1440738092 /nfs/dbraw/zinc/73/80/92/1440738092.db2.gz UNFSOGNJQAGFHV-HXUWFJFHSA-N 2 1 345.531 3.260 20 0 EGADMP CCC[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCC)CC1 ZINC001755047875 1440742368 /nfs/dbraw/zinc/74/23/68/1440742368.db2.gz SEZQTALCICUBJO-RLLQIKCJSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCC)CC1 ZINC001755047875 1440742369 /nfs/dbraw/zinc/74/23/69/1440742369.db2.gz SEZQTALCICUBJO-RLLQIKCJSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[NH+](CCC3CC3)C2)C1 ZINC001755048079 1440742538 /nfs/dbraw/zinc/74/25/38/1440742538.db2.gz UANPDZPSGTXCPJ-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](CCC3CC3)C2)C1 ZINC001755048079 1440742539 /nfs/dbraw/zinc/74/25/39/1440742539.db2.gz UANPDZPSGTXCPJ-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+](CCC3CC3)C2)C1 ZINC001755048079 1440742540 /nfs/dbraw/zinc/74/25/40/1440742540.db2.gz UANPDZPSGTXCPJ-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](F)C[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001755072729 1440747113 /nfs/dbraw/zinc/74/71/13/1440747113.db2.gz REFCBNIHQDCMEL-MRXNPFEDSA-N 2 1 343.531 3.073 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCC(C)(C)C)CC1 ZINC001755135738 1440758154 /nfs/dbraw/zinc/75/81/54/1440758154.db2.gz BTLQNEBVPNYVIO-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C\CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001755197625 1440777683 /nfs/dbraw/zinc/77/76/83/1440777683.db2.gz YNDTXAVSRGMGLU-MJRGOJFPSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)[C@H](C)[NH2+]CCC1CCCC1 ZINC001755255220 1440792950 /nfs/dbraw/zinc/79/29/50/1440792950.db2.gz DQEFJXWLPIICJL-JKSUJKDBSA-N 2 1 334.508 3.070 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001755262500 1440794939 /nfs/dbraw/zinc/79/49/39/1440794939.db2.gz KXVLYWHUBOQXSS-IRXDYDNUSA-N 2 1 341.499 3.164 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH+](C)CC1CCCCC1 ZINC001755301384 1440808600 /nfs/dbraw/zinc/80/86/00/1440808600.db2.gz KTSVMOQXQCIWAQ-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@H+](C)CC1CCCCC1 ZINC001755301384 1440808601 /nfs/dbraw/zinc/80/86/01/1440808601.db2.gz KTSVMOQXQCIWAQ-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@@H+](C)CC1CCCCC1 ZINC001755301384 1440808602 /nfs/dbraw/zinc/80/86/02/1440808602.db2.gz KTSVMOQXQCIWAQ-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCCC(C)(C)C)CC2 ZINC001755312894 1440814059 /nfs/dbraw/zinc/81/40/59/1440814059.db2.gz JJRYZTGMSMQPGR-NVXWUHKLSA-N 2 1 348.535 3.017 20 0 EGADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CCCC(C)(C)C)CC2 ZINC001755312894 1440814060 /nfs/dbraw/zinc/81/40/60/1440814060.db2.gz JJRYZTGMSMQPGR-NVXWUHKLSA-N 2 1 348.535 3.017 20 0 EGADMP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@@H+](C)Cc1cccc(F)c1 ZINC001755320113 1440818031 /nfs/dbraw/zinc/81/80/31/1440818031.db2.gz NTBJJAMMGVIRQA-IRXDYDNUSA-N 2 1 349.494 3.027 20 0 EGADMP CC(C)[C@@H](CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCC1=CCCCC1 ZINC001755342991 1440825888 /nfs/dbraw/zinc/82/58/88/1440825888.db2.gz ONSLDHVOXJOJCW-VQTJNVASSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001755363798 1440833351 /nfs/dbraw/zinc/83/33/51/1440833351.db2.gz MZORLAMDMZAYIG-CEXWTWQISA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001755363798 1440833352 /nfs/dbraw/zinc/83/33/52/1440833352.db2.gz MZORLAMDMZAYIG-CEXWTWQISA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001755363798 1440833353 /nfs/dbraw/zinc/83/33/53/1440833353.db2.gz MZORLAMDMZAYIG-CEXWTWQISA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001755365620 1440834111 /nfs/dbraw/zinc/83/41/11/1440834111.db2.gz IHRSKLXFFHCBGH-SFFCAUCYSA-N 2 1 346.519 3.299 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001755365620 1440834112 /nfs/dbraw/zinc/83/41/12/1440834112.db2.gz IHRSKLXFFHCBGH-SFFCAUCYSA-N 2 1 346.519 3.299 20 0 EGADMP CC(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001755367026 1440835251 /nfs/dbraw/zinc/83/52/51/1440835251.db2.gz BBXOPXVAJABKHU-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCCC[N@H+]2CCC(C)(C)C)CC1 ZINC001755367831 1440835790 /nfs/dbraw/zinc/83/57/90/1440835790.db2.gz JARHCZDTVMHIES-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)NC[C@H]1CCCCC[N@H+]1CC1CCC1 ZINC001755368934 1440836521 /nfs/dbraw/zinc/83/65/21/1440836521.db2.gz YFLGPXYHRBYMKR-HXUWFJFHSA-N 2 1 349.563 3.413 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](CC3=CCCCC3)C[C@@H]2C1 ZINC001755451426 1440853678 /nfs/dbraw/zinc/85/36/78/1440853678.db2.gz FZKUJYLTYYBQHW-HSALFYBXSA-N 2 1 347.547 3.045 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3=CCCCC3)C[C@@H]2C1 ZINC001755451426 1440853679 /nfs/dbraw/zinc/85/36/79/1440853679.db2.gz FZKUJYLTYYBQHW-HSALFYBXSA-N 2 1 347.547 3.045 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@@H]2C1 ZINC001755451426 1440853680 /nfs/dbraw/zinc/85/36/80/1440853680.db2.gz FZKUJYLTYYBQHW-HSALFYBXSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)(C)C)C1)CC(C)(C)C ZINC001755478982 1440859720 /nfs/dbraw/zinc/85/97/20/1440859720.db2.gz XDCAQTDNOVRPRL-QAQDUYKDSA-N 2 1 339.568 3.275 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001755479246 1440859867 /nfs/dbraw/zinc/85/98/67/1440859867.db2.gz GKGCAWCFLPTNIT-KZNAEPCWSA-N 2 1 337.552 3.170 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001755531834 1440867716 /nfs/dbraw/zinc/86/77/16/1440867716.db2.gz CLRPGTQNZAADFL-HKUYNNGSSA-N 2 1 345.531 3.136 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001755587949 1440880653 /nfs/dbraw/zinc/88/06/53/1440880653.db2.gz NTAVULRMHNXMFH-HKUYNNGSSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)c1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001755590078 1440881268 /nfs/dbraw/zinc/88/12/68/1440881268.db2.gz HHJUMHYAAIVUIG-QGZVFWFLSA-N 2 1 345.531 3.231 20 0 EGADMP CCc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)c1 ZINC001755619069 1440890015 /nfs/dbraw/zinc/89/00/15/1440890015.db2.gz TXJYLPNHUXJCEO-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1[N@@H+](CCC1CCCC1)CC2)[NH+](C)C ZINC001755699518 1440899339 /nfs/dbraw/zinc/89/93/39/1440899339.db2.gz BYWJXQMBVCBBFU-NSHGMRRFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC3CCCC3)[C@@H]2C1 ZINC001755712181 1440903977 /nfs/dbraw/zinc/90/39/77/1440903977.db2.gz KWWOQPZXTNTPRR-XUVXKRRUSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC001755723480 1440908403 /nfs/dbraw/zinc/90/84/03/1440908403.db2.gz PWWOVJFJYGQJQI-AZUAARDMSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC001755723480 1440908404 /nfs/dbraw/zinc/90/84/04/1440908404.db2.gz PWWOVJFJYGQJQI-AZUAARDMSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001755723480 1440908405 /nfs/dbraw/zinc/90/84/05/1440908405.db2.gz PWWOVJFJYGQJQI-AZUAARDMSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001755723480 1440908406 /nfs/dbraw/zinc/90/84/06/1440908406.db2.gz PWWOVJFJYGQJQI-AZUAARDMSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)N(CC[N@@H+](C)CC1CCCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001755812120 1440920778 /nfs/dbraw/zinc/92/07/78/1440920778.db2.gz JEZBRPRJLJIGCW-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[NH2+]C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C(C)(C)C ZINC001755828500 1440927936 /nfs/dbraw/zinc/92/79/36/1440927936.db2.gz JRLJLLXRUNFKBB-SFHVURJKSA-N 2 1 339.568 3.418 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]CC2CCCCC2)C(C)(C)C)C1 ZINC001755836068 1440930271 /nfs/dbraw/zinc/93/02/71/1440930271.db2.gz MFOGHCQVWZXYRX-ZWKOTPCHSA-N 2 1 337.552 3.029 20 0 EGADMP CC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001755843858 1440932523 /nfs/dbraw/zinc/93/25/23/1440932523.db2.gz XWOXJLOYHIHMSF-FUTAKVPZSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001755858714 1440936284 /nfs/dbraw/zinc/93/62/84/1440936284.db2.gz ORGPEDSPGCAIKU-OLFFVLKBSA-N 2 1 335.536 3.042 20 0 EGADMP CCC(CC)C[NH2+]C1CC(N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001755865706 1440937756 /nfs/dbraw/zinc/93/77/56/1440937756.db2.gz NPIBYUMIAPBDQX-SOAGJPPSSA-N 2 1 345.531 3.305 20 0 EGADMP Cc1cc2ccccc2nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164686003 719613041 /nfs/dbraw/zinc/61/30/41/719613041.db2.gz XLAMIDMKKIXUCM-UHFFFAOYSA-N 2 1 349.482 3.215 20 0 EGADMP Cc1cc2ccccc2nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164686003 719613053 /nfs/dbraw/zinc/61/30/53/719613053.db2.gz XLAMIDMKKIXUCM-UHFFFAOYSA-N 2 1 349.482 3.215 20 0 EGADMP Cc1cc(Cl)c(C)c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164682608 719625778 /nfs/dbraw/zinc/62/57/78/719625778.db2.gz OJNVOHYFJDUTER-UHFFFAOYSA-N 2 1 347.894 3.023 20 0 EGADMP Cc1cc(Cl)c(C)c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164682608 719625784 /nfs/dbraw/zinc/62/57/84/719625784.db2.gz OJNVOHYFJDUTER-UHFFFAOYSA-N 2 1 347.894 3.023 20 0 EGADMP Cc1c[nH+]c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)cc1C ZINC001164859507 721008331 /nfs/dbraw/zinc/00/83/31/721008331.db2.gz IUFJJFPGRGHEKI-MRXNPFEDSA-N 2 1 327.476 3.316 20 0 EGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[NH+](C3CCCC3)CC2)n1 ZINC001165028231 721857261 /nfs/dbraw/zinc/85/72/61/721857261.db2.gz KYLGZONTODISDS-UHFFFAOYSA-N 2 1 348.922 3.395 20 0 EGADMP CN(CC1CC[NH+](C)CC1)c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001165041344 721934879 /nfs/dbraw/zinc/93/48/79/721934879.db2.gz QXMAMRKPQVGNJY-UHFFFAOYSA-N 2 1 336.911 3.109 20 0 EGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCc2[nH]cnc21)c1ccccc1 ZINC000368453310 168358048 /nfs/dbraw/zinc/35/80/48/168358048.db2.gz FRWACOKGSPZLTE-GDBMZVCRSA-N 2 1 340.471 3.075 20 0 EGADMP c1coc(-c2cc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)no2)c1 ZINC000173946376 231077859 /nfs/dbraw/zinc/07/78/59/231077859.db2.gz YGTFSOZLINGMIW-UHFFFAOYSA-N 2 1 345.443 3.011 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000174419212 231203197 /nfs/dbraw/zinc/20/31/97/231203197.db2.gz JTUSTUMNYQZZEX-OAHLLOKOSA-N 2 1 337.427 3.200 20 0 EGADMP C[N@@H+](C[C@H](O)Cc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173977818 529961652 /nfs/dbraw/zinc/96/16/52/529961652.db2.gz AZUPXUYNUSYJOA-FGZHOGPDSA-N 2 1 338.495 3.044 20 0 EGADMP C[NH+](C[C@H](O)Cc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173977818 529961653 /nfs/dbraw/zinc/96/16/53/529961653.db2.gz AZUPXUYNUSYJOA-FGZHOGPDSA-N 2 1 338.495 3.044 20 0 EGADMP C[NH+](C[C@H](O)Cc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173977818 529961655 /nfs/dbraw/zinc/96/16/55/529961655.db2.gz AZUPXUYNUSYJOA-FGZHOGPDSA-N 2 1 338.495 3.044 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(CO)o1 ZINC000174451185 530008136 /nfs/dbraw/zinc/00/81/36/530008136.db2.gz SNSIUHIDQZQAIH-UHFFFAOYSA-N 2 1 340.423 3.287 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCC[NH+]2CC)cc1)C(C)C ZINC000101631676 219147384 /nfs/dbraw/zinc/14/73/84/219147384.db2.gz BKZOJKXPXBPFQW-LJQANCHMSA-N 2 1 331.504 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC)cc1)C(C)C ZINC000101631676 219147388 /nfs/dbraw/zinc/14/73/88/219147388.db2.gz BKZOJKXPXBPFQW-LJQANCHMSA-N 2 1 331.504 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC)cc1)C(C)C ZINC000101631676 219147390 /nfs/dbraw/zinc/14/73/90/219147390.db2.gz BKZOJKXPXBPFQW-LJQANCHMSA-N 2 1 331.504 3.131 20 0 EGADMP C[N@@H+](CCNC1CC[NH+](CCc2ccccc2)CC1)C1CCCC1 ZINC000103716352 219320801 /nfs/dbraw/zinc/32/08/01/219320801.db2.gz UXATXZBZEWBXEQ-UHFFFAOYSA-N 2 1 329.532 3.158 20 0 EGADMP Cc1cccc(CCC[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000181042334 234069157 /nfs/dbraw/zinc/06/91/57/234069157.db2.gz ZBERNXJTHOTWAK-OYRHEFFESA-N 2 1 343.559 3.418 20 0 EGADMP C[C@H]1CSCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000190845056 291014243 /nfs/dbraw/zinc/01/42/43/291014243.db2.gz YRETWCXXUQXTOM-QGZVFWFLSA-N 2 1 347.572 3.402 20 0 EGADMP C[NH+](C)CCC1CC[NH+](Cc2ccn(-c3ccc(F)cc3F)n2)CC1 ZINC000190197096 238290506 /nfs/dbraw/zinc/29/05/06/238290506.db2.gz SINQVSYZHFGEFJ-UHFFFAOYSA-N 2 1 348.441 3.314 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000130868564 223182908 /nfs/dbraw/zinc/18/29/08/223182908.db2.gz QOMCTMCFCRFZOT-UHFFFAOYSA-N 2 1 342.487 3.099 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000130868564 223182909 /nfs/dbraw/zinc/18/29/09/223182909.db2.gz QOMCTMCFCRFZOT-UHFFFAOYSA-N 2 1 342.487 3.099 20 0 EGADMP CCC[N@H+]1CC[C@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677748458 549326362 /nfs/dbraw/zinc/32/63/62/549326362.db2.gz NXVLDNXUUXXUSU-UXHICEINSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@H](CN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677748458 549326365 /nfs/dbraw/zinc/32/63/65/549326365.db2.gz NXVLDNXUUXXUSU-UXHICEINSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@H](CN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677748458 549326368 /nfs/dbraw/zinc/32/63/68/549326368.db2.gz NXVLDNXUUXXUSU-UXHICEINSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000677748458 549326373 /nfs/dbraw/zinc/32/63/73/549326373.db2.gz NXVLDNXUUXXUSU-UXHICEINSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000677748458 549326377 /nfs/dbraw/zinc/32/63/77/549326377.db2.gz NXVLDNXUUXXUSU-UXHICEINSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@@H]1n1ccnc1 ZINC000193257467 240080087 /nfs/dbraw/zinc/08/00/87/240080087.db2.gz RFYKWTLUKBMHOZ-APWZRJJASA-N 2 1 325.456 3.334 20 0 EGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000020967674 212192983 /nfs/dbraw/zinc/19/29/83/212192983.db2.gz FOTJQZBYNALAKD-UHFFFAOYSA-N 2 1 329.282 3.279 20 0 EGADMP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000262648231 245096301 /nfs/dbraw/zinc/09/63/01/245096301.db2.gz KPMDUCPZTODJOQ-SJLPKXTDSA-N 2 1 343.496 3.010 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1Br ZINC000049554097 214018601 /nfs/dbraw/zinc/01/86/01/214018601.db2.gz PFOAXDLYJVTCPV-RYUDHWBXSA-N 2 1 329.282 3.449 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000264197594 246169532 /nfs/dbraw/zinc/16/95/32/246169532.db2.gz OVZHBNSGOGEJHU-IBGZPJMESA-N 2 1 343.515 3.133 20 0 EGADMP C[C@@H](c1ccncc1)[NH+](C)CCOCC[N@H+](C)[C@@H](C)c1ccncc1 ZINC000091988516 296243526 /nfs/dbraw/zinc/24/35/26/296243526.db2.gz RZHDRYBFPVUUCM-ROUUACIJSA-N 2 1 342.487 3.179 20 0 EGADMP C[N@H+](Cc1ccc(OCc2cccnc2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000266018055 248034594 /nfs/dbraw/zinc/03/45/94/248034594.db2.gz QULSYRJYWRSAEI-HXUWFJFHSA-N 2 1 339.483 3.434 20 0 EGADMP C[NH+](Cc1ccc(OCc2cccnc2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000266018055 248034597 /nfs/dbraw/zinc/03/45/97/248034597.db2.gz QULSYRJYWRSAEI-HXUWFJFHSA-N 2 1 339.483 3.434 20 0 EGADMP C[NH+](Cc1ccc(OCc2cccnc2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000266018055 248034602 /nfs/dbraw/zinc/03/46/02/248034602.db2.gz QULSYRJYWRSAEI-HXUWFJFHSA-N 2 1 339.483 3.434 20 0 EGADMP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000266189725 248159494 /nfs/dbraw/zinc/15/94/94/248159494.db2.gz XYRTXMHKNRSUJS-LJQANCHMSA-N 2 1 330.497 3.210 20 0 EGADMP CCOC(=O)CCCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266591382 248374496 /nfs/dbraw/zinc/37/44/96/248374496.db2.gz ULJANXKLFLALNQ-IBGZPJMESA-N 2 1 332.488 3.174 20 0 EGADMP CCOC(=O)CCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266591382 248374497 /nfs/dbraw/zinc/37/44/97/248374497.db2.gz ULJANXKLFLALNQ-IBGZPJMESA-N 2 1 332.488 3.174 20 0 EGADMP CCOC(=O)CCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266591382 248374498 /nfs/dbraw/zinc/37/44/98/248374498.db2.gz ULJANXKLFLALNQ-IBGZPJMESA-N 2 1 332.488 3.174 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Oc4cnccn4)cc3)CC[C@@H]21 ZINC000092043606 218109167 /nfs/dbraw/zinc/10/91/67/218109167.db2.gz HBRKIHWMMSKADB-MJGOQNOKSA-N 2 1 338.455 3.185 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Oc4cnccn4)cc3)CC[C@@H]21 ZINC000092043606 218109169 /nfs/dbraw/zinc/10/91/69/218109169.db2.gz HBRKIHWMMSKADB-MJGOQNOKSA-N 2 1 338.455 3.185 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Oc4cnccn4)cc3)CC[C@@H]21 ZINC000092043606 218109170 /nfs/dbraw/zinc/10/91/70/218109170.db2.gz HBRKIHWMMSKADB-MJGOQNOKSA-N 2 1 338.455 3.185 20 0 EGADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(C2CC2)no1 ZINC000092821118 218172005 /nfs/dbraw/zinc/17/20/05/218172005.db2.gz ZCMWJBXNKMXYFI-UHFFFAOYSA-N 2 1 341.459 3.081 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(C2CC2)no1 ZINC000092821118 218172008 /nfs/dbraw/zinc/17/20/08/218172008.db2.gz ZCMWJBXNKMXYFI-UHFFFAOYSA-N 2 1 341.459 3.081 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000093770597 218248185 /nfs/dbraw/zinc/24/81/85/218248185.db2.gz ZTYXZSULECEKMW-KRWDZBQOSA-N 2 1 344.478 3.402 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000093770597 218248187 /nfs/dbraw/zinc/24/81/87/218248187.db2.gz ZTYXZSULECEKMW-KRWDZBQOSA-N 2 1 344.478 3.402 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000093770597 218248190 /nfs/dbraw/zinc/24/81/90/218248190.db2.gz ZTYXZSULECEKMW-KRWDZBQOSA-N 2 1 344.478 3.402 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000093770597 218248193 /nfs/dbraw/zinc/24/81/93/218248193.db2.gz ZTYXZSULECEKMW-KRWDZBQOSA-N 2 1 344.478 3.402 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1N(C)C ZINC000093943569 218258071 /nfs/dbraw/zinc/25/80/71/218258071.db2.gz VRXZQMCTKGWGSE-KSZLIROESA-N 2 1 333.520 3.293 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000268744683 252195528 /nfs/dbraw/zinc/19/55/28/252195528.db2.gz FEQZCJNNBBTIFK-VQIMIIECSA-N 2 1 325.456 3.090 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000268744683 252195534 /nfs/dbraw/zinc/19/55/34/252195534.db2.gz FEQZCJNNBBTIFK-VQIMIIECSA-N 2 1 325.456 3.090 20 0 EGADMP Cc1n[nH]cc1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268774262 252224348 /nfs/dbraw/zinc/22/43/48/252224348.db2.gz RATBITRIJRDMLB-UZLBHIALSA-N 2 1 326.488 3.293 20 0 EGADMP Cc1n[nH]cc1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268774262 252224351 /nfs/dbraw/zinc/22/43/51/252224351.db2.gz RATBITRIJRDMLB-UZLBHIALSA-N 2 1 326.488 3.293 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+]3CCCC[C@H]23)CC[N@H+]1Cc1ccccc1 ZINC000268804445 252256390 /nfs/dbraw/zinc/25/63/90/252256390.db2.gz ZZBCNWCXTMTDER-CWJKEVGVSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC[NH+]1Cc1ccccc1 ZINC000268804445 252256395 /nfs/dbraw/zinc/25/63/95/252256395.db2.gz ZZBCNWCXTMTDER-CWJKEVGVSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC[NH+]1Cc1ccccc1 ZINC000268804445 252256397 /nfs/dbraw/zinc/25/63/97/252256397.db2.gz ZZBCNWCXTMTDER-CWJKEVGVSA-N 2 1 327.516 3.256 20 0 EGADMP CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000268793185 252243629 /nfs/dbraw/zinc/24/36/29/252243629.db2.gz DWRRLWTUOVRDSI-GOSISDBHSA-N 2 1 343.515 3.299 20 0 EGADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000268848520 252296263 /nfs/dbraw/zinc/29/62/63/252296263.db2.gz FKHKVVWWRFYXBV-ROUUACIJSA-N 2 1 346.515 3.422 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000268867977 252317190 /nfs/dbraw/zinc/31/71/90/252317190.db2.gz AIZCMVXQSJJKFM-UXHICEINSA-N 2 1 343.515 3.085 20 0 EGADMP COc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1Br ZINC000268852544 252299908 /nfs/dbraw/zinc/29/99/08/252299908.db2.gz YCWHZOISNXVZLZ-NSHDSACASA-N 2 1 338.249 3.313 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000268854010 252301020 /nfs/dbraw/zinc/30/10/20/252301020.db2.gz YPRZZDYCWHUOFU-JTQLQIEISA-N 2 1 326.213 3.444 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc2cccnc21 ZINC000349065425 285250992 /nfs/dbraw/zinc/25/09/92/285250992.db2.gz ZSXFNZQPDWBFKD-HXUWFJFHSA-N 2 1 340.515 3.083 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(OC)c1 ZINC000119033473 221228420 /nfs/dbraw/zinc/22/84/20/221228420.db2.gz OYOJPNWKEYSUGR-IMFGXOCKSA-N 2 1 333.520 3.150 20 0 EGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1csc(Cl)c1 ZINC000191267330 533367737 /nfs/dbraw/zinc/36/77/37/533367737.db2.gz GQBWUALWVVZIJU-CYBMUJFWSA-N 2 1 329.941 3.326 20 0 EGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132935722 533410187 /nfs/dbraw/zinc/41/01/87/533410187.db2.gz AYGXLKNPFINGJO-SJORKVTESA-N 2 1 332.488 3.155 20 0 EGADMP COc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1OC(F)F ZINC000153007655 533536572 /nfs/dbraw/zinc/53/65/72/533536572.db2.gz QNAXGYZTCFPNEP-UHFFFAOYSA-N 2 1 328.403 3.214 20 0 EGADMP COc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1OC(F)F ZINC000153007655 533536578 /nfs/dbraw/zinc/53/65/78/533536578.db2.gz QNAXGYZTCFPNEP-UHFFFAOYSA-N 2 1 328.403 3.214 20 0 EGADMP c1[nH+]c(C2CC[NH+](CCCO[C@H]3CCCCO3)CC2)n2c1CCCC2 ZINC000338372049 285573494 /nfs/dbraw/zinc/57/34/94/285573494.db2.gz JJSVXYZCXNBWMR-IBGZPJMESA-N 2 1 347.503 3.332 20 0 EGADMP C[C@H](CC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237635451 141011679 /nfs/dbraw/zinc/01/16/79/141011679.db2.gz SLBMYXCBMZAJFA-WSTZPKSXSA-N 2 1 345.531 3.039 20 0 EGADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000246944719 141045331 /nfs/dbraw/zinc/04/53/31/141045331.db2.gz HWYSBOXSHRURGO-MSOLQXFVSA-N 2 1 334.504 3.483 20 0 EGADMP C[C@@H](Cn1cccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338012488 141072656 /nfs/dbraw/zinc/07/26/56/141072656.db2.gz BBCHPHXAASBFBC-PKOBYXMFSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@@H](Cn1cccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338012488 141072659 /nfs/dbraw/zinc/07/26/59/141072659.db2.gz BBCHPHXAASBFBC-PKOBYXMFSA-N 2 1 326.488 3.162 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000348021936 141233537 /nfs/dbraw/zinc/23/35/37/141233537.db2.gz QHTIJXCGSWDTAR-YLJYHZDGSA-N 2 1 345.531 3.156 20 0 EGADMP CN(C)[C@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000353454609 141299347 /nfs/dbraw/zinc/29/93/47/141299347.db2.gz KUBMLDNOQVQXJQ-XVAXZDLZSA-N 2 1 329.532 3.359 20 0 EGADMP C[NH+](C)[C@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000353454609 141299348 /nfs/dbraw/zinc/29/93/48/141299348.db2.gz KUBMLDNOQVQXJQ-XVAXZDLZSA-N 3 1 329.532 3.359 20 0 EGADMP C[NH+](C)[C@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000353454609 141299349 /nfs/dbraw/zinc/29/93/49/141299349.db2.gz KUBMLDNOQVQXJQ-XVAXZDLZSA-N 3 1 329.532 3.359 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344624249 144201100 /nfs/dbraw/zinc/20/11/00/144201100.db2.gz IIACVWDDAQDMNZ-WBMJQRKESA-N 2 1 348.441 3.340 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000344624249 144201102 /nfs/dbraw/zinc/20/11/02/144201102.db2.gz IIACVWDDAQDMNZ-WBMJQRKESA-N 2 1 348.441 3.340 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccccc2Cl)CC[N@H+]1C ZINC000344635436 144202826 /nfs/dbraw/zinc/20/28/26/144202826.db2.gz TUCSLOYINCWCRH-HIFRSBDPSA-N 2 1 332.879 3.313 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CC[N@H+]1C ZINC000344686481 144209971 /nfs/dbraw/zinc/20/99/71/144209971.db2.gz SEIKGKXKKLBJPU-LPHOPBHVSA-N 2 1 325.456 3.233 20 0 EGADMP C[C@@H]([NH3+])C1CC[NH+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000347031600 144251728 /nfs/dbraw/zinc/25/17/28/144251728.db2.gz AFBXHBMXZAYBRJ-CQSZACIVSA-N 2 1 331.485 3.281 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCc2ncc[nH]2)c1 ZINC000351715569 144295468 /nfs/dbraw/zinc/29/54/68/144295468.db2.gz DHUDSZPTYNAHPI-UHFFFAOYSA-N 2 1 337.427 3.349 20 0 EGADMP CC(C)CO[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@H](OCC(C)C)C2)C1 ZINC000119846082 152232288 /nfs/dbraw/zinc/23/22/88/152232288.db2.gz FWMYYBYNFJGQAI-VGIQHARFSA-N 2 1 338.536 3.036 20 0 EGADMP CC(C)CO[C@@H]1CC[N@@H+](C/C=C/C[NH+]2CC[C@H](OCC(C)C)C2)C1 ZINC000119846082 152232294 /nfs/dbraw/zinc/23/22/94/152232294.db2.gz FWMYYBYNFJGQAI-VGIQHARFSA-N 2 1 338.536 3.036 20 0 EGADMP C[N@H+]1CCC[C@H]1CCN1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000120672545 152292500 /nfs/dbraw/zinc/29/25/00/152292500.db2.gz UWRVDCAWOWNDMH-SFHVURJKSA-N 2 1 340.471 3.400 20 0 EGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000120672545 152292501 /nfs/dbraw/zinc/29/25/01/152292501.db2.gz UWRVDCAWOWNDMH-SFHVURJKSA-N 2 1 340.471 3.400 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000120672545 152292502 /nfs/dbraw/zinc/29/25/02/152292502.db2.gz UWRVDCAWOWNDMH-SFHVURJKSA-N 2 1 340.471 3.400 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000192136462 153244670 /nfs/dbraw/zinc/24/46/70/153244670.db2.gz GDBILUFBGZNGLM-GOSISDBHSA-N 3 1 349.482 3.369 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000305145566 154086548 /nfs/dbraw/zinc/08/65/48/154086548.db2.gz RQPGDAPRHVIITR-WBVHZDCISA-N 2 1 338.492 3.189 20 0 EGADMP COc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346820486 156150354 /nfs/dbraw/zinc/15/03/54/156150354.db2.gz HUYDEOYAEGQKPA-NILFDRSVSA-N 2 1 339.277 3.017 20 0 EGADMP COc1cc(Br)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346820486 156150356 /nfs/dbraw/zinc/15/03/56/156150356.db2.gz HUYDEOYAEGQKPA-NILFDRSVSA-N 2 1 339.277 3.017 20 0 EGADMP CCCOc1c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cccc1OCC ZINC000346830142 156154490 /nfs/dbraw/zinc/15/44/90/156154490.db2.gz KABFHGJLLNJBGR-CGTJXYLNSA-N 2 1 332.488 3.433 20 0 EGADMP CCCOc1c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cccc1OCC ZINC000346830143 156155140 /nfs/dbraw/zinc/15/51/40/156155140.db2.gz KABFHGJLLNJBGR-JQHSSLGASA-N 2 1 332.488 3.433 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C[C@@H]12 ZINC000346828916 156155617 /nfs/dbraw/zinc/15/56/17/156155617.db2.gz NQUGMRQRMIUMHF-BHIYHBOVSA-N 2 1 332.451 3.195 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc2cc[nH]c21 ZINC000349060058 156337284 /nfs/dbraw/zinc/33/72/84/156337284.db2.gz FAELKSPBDTUBAI-LJQANCHMSA-N 2 1 328.504 3.016 20 0 EGADMP Cc1cn2c(n1)[C@H](C[NH2+]C1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000372585499 157361739 /nfs/dbraw/zinc/36/17/39/157361739.db2.gz NQUWRGSBOONPOX-IBGZPJMESA-N 2 1 338.499 3.323 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000093660205 162019765 /nfs/dbraw/zinc/01/97/65/162019765.db2.gz SUCKZOIKRCAPQD-GOSISDBHSA-N 2 1 342.487 3.392 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000093660205 162019768 /nfs/dbraw/zinc/01/97/68/162019768.db2.gz SUCKZOIKRCAPQD-GOSISDBHSA-N 2 1 342.487 3.392 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000093660205 162019769 /nfs/dbraw/zinc/01/97/69/162019769.db2.gz SUCKZOIKRCAPQD-GOSISDBHSA-N 2 1 342.487 3.392 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000093660205 162019771 /nfs/dbraw/zinc/01/97/71/162019771.db2.gz SUCKZOIKRCAPQD-GOSISDBHSA-N 2 1 342.487 3.392 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@H](C)C1 ZINC000125465902 162273887 /nfs/dbraw/zinc/27/38/87/162273887.db2.gz VYQPNRQNOZBJID-VQIMIIECSA-N 3 1 335.561 3.280 20 0 EGADMP CCN1CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@H](C)C1 ZINC000125465902 162273890 /nfs/dbraw/zinc/27/38/90/162273890.db2.gz VYQPNRQNOZBJID-VQIMIIECSA-N 2 1 335.561 3.280 20 0 EGADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)o1 ZINC000248447537 163006313 /nfs/dbraw/zinc/00/63/13/163006313.db2.gz NKRAZFVKMIIORT-XFQXTVEOSA-N 2 1 340.467 3.259 20 0 EGADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)o1 ZINC000248447537 163006315 /nfs/dbraw/zinc/00/63/15/163006315.db2.gz NKRAZFVKMIIORT-XFQXTVEOSA-N 2 1 340.467 3.259 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000248824854 163036452 /nfs/dbraw/zinc/03/64/52/163036452.db2.gz ZWVKHCAQHBOWME-JSXRDJHFSA-N 2 1 340.511 3.098 20 0 EGADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC000248995628 163050902 /nfs/dbraw/zinc/05/09/02/163050902.db2.gz OXUBBIYHNBLJFJ-VWWARQNISA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000248995628 163050904 /nfs/dbraw/zinc/05/09/04/163050904.db2.gz OXUBBIYHNBLJFJ-VWWARQNISA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000248995628 163050906 /nfs/dbraw/zinc/05/09/06/163050906.db2.gz OXUBBIYHNBLJFJ-VWWARQNISA-N 2 1 327.516 3.254 20 0 EGADMP CCC[C@H](C)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000337244031 163177184 /nfs/dbraw/zinc/17/71/84/163177184.db2.gz HQDWMTVEALAYGK-SFHVURJKSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000354379188 166013325 /nfs/dbraw/zinc/01/33/25/166013325.db2.gz DXXUIAMHOVVOBT-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000354379188 166013327 /nfs/dbraw/zinc/01/33/27/166013327.db2.gz DXXUIAMHOVVOBT-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000354379188 166013328 /nfs/dbraw/zinc/01/33/28/166013328.db2.gz DXXUIAMHOVVOBT-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000343753944 164026678 /nfs/dbraw/zinc/02/66/78/164026678.db2.gz VCEFTQRHGARSNL-ZIAGYGMSSA-N 2 1 344.425 3.103 20 0 EGADMP Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000343753944 164026680 /nfs/dbraw/zinc/02/66/80/164026680.db2.gz VCEFTQRHGARSNL-ZIAGYGMSSA-N 2 1 344.425 3.103 20 0 EGADMP Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000343753944 164026682 /nfs/dbraw/zinc/02/66/82/164026682.db2.gz VCEFTQRHGARSNL-ZIAGYGMSSA-N 2 1 344.425 3.103 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)c1ccccc1 ZINC000343801429 164037954 /nfs/dbraw/zinc/03/79/54/164037954.db2.gz IWQLOWUBBPLQBB-CUWPLCDZSA-N 2 1 345.531 3.306 20 0 EGADMP CCC1(CC)[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C[C@@H]1OC ZINC000344102915 164103276 /nfs/dbraw/zinc/10/32/76/164103276.db2.gz UYDJPPHRWOXLMS-PMACEKPBSA-N 2 1 346.515 3.202 20 0 EGADMP C[N@@H+](CCC(=O)Nc1cccc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000345763020 164261343 /nfs/dbraw/zinc/26/13/43/164261343.db2.gz ALNRSAAYEVAXPU-QGZVFWFLSA-N 2 1 339.483 3.442 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@H](OC)c2ccccc2Cl)CC1 ZINC000354972105 166076731 /nfs/dbraw/zinc/07/67/31/166076731.db2.gz UJBKCKSUIBJSQI-KDOFPFPSSA-N 2 1 340.895 3.116 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000350226636 165020811 /nfs/dbraw/zinc/02/08/11/165020811.db2.gz VPAMYLAERNWRRV-INIZCTEOSA-N 2 1 349.500 3.336 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000350226636 165020814 /nfs/dbraw/zinc/02/08/14/165020814.db2.gz VPAMYLAERNWRRV-INIZCTEOSA-N 2 1 349.500 3.336 20 0 EGADMP Cc1[nH]nc2ncc(C[NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000352075684 165221797 /nfs/dbraw/zinc/22/17/97/165221797.db2.gz FILZMGXZRLZOLF-DNVCBOLYSA-N 2 1 349.482 3.267 20 0 EGADMP CC[NH+](CC)[C@H](CNCc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352250595 165308791 /nfs/dbraw/zinc/30/87/91/165308791.db2.gz JMMRJVFQOLLEHD-GOSISDBHSA-N 2 1 346.544 3.377 20 0 EGADMP OC[C@H](CC1CCC1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000359054598 167052133 /nfs/dbraw/zinc/05/21/33/167052133.db2.gz KYENQVJFAVWYRX-IVAOSVALSA-N 2 1 328.500 3.038 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000359103294 167067230 /nfs/dbraw/zinc/06/72/30/167067230.db2.gz HGNKGHWCVOPKRC-PXNSSMCTSA-N 2 1 338.499 3.290 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000359103294 167067232 /nfs/dbraw/zinc/06/72/32/167067232.db2.gz HGNKGHWCVOPKRC-PXNSSMCTSA-N 2 1 338.499 3.290 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000359118967 167071761 /nfs/dbraw/zinc/07/17/61/167071761.db2.gz WKJAXTQKMBPLNY-DYXWJJEUSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1CCC[NH+](CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000359118967 167071763 /nfs/dbraw/zinc/07/17/63/167071763.db2.gz WKJAXTQKMBPLNY-DYXWJJEUSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1CCC[NH+](CCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000359118967 167071766 /nfs/dbraw/zinc/07/17/66/167071766.db2.gz WKJAXTQKMBPLNY-DYXWJJEUSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000359118980 167071858 /nfs/dbraw/zinc/07/18/58/167071858.db2.gz WKJAXTQKMBPLNY-SFHLNBCPSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1CCC[NH+](CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000359118980 167071860 /nfs/dbraw/zinc/07/18/60/167071860.db2.gz WKJAXTQKMBPLNY-SFHLNBCPSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1CCC[NH+](CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000359118980 167071866 /nfs/dbraw/zinc/07/18/66/167071866.db2.gz WKJAXTQKMBPLNY-SFHLNBCPSA-N 2 1 329.532 3.361 20 0 EGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cn1 ZINC000359249052 167105983 /nfs/dbraw/zinc/10/59/83/167105983.db2.gz UZOIYKMGOZUQEJ-MOPGFXCFSA-N 2 1 343.446 3.028 20 0 EGADMP CCOC(=O)c1c[nH+]ccc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000359454499 167160659 /nfs/dbraw/zinc/16/06/59/167160659.db2.gz BEEYDAIGMSGBCZ-QGZVFWFLSA-N 2 1 345.487 3.207 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000359765289 167226393 /nfs/dbraw/zinc/22/63/93/167226393.db2.gz QXYONKSFUJMILB-SFHVURJKSA-N 2 1 345.531 3.135 20 0 EGADMP O=C(CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000360567533 167360033 /nfs/dbraw/zinc/36/00/33/167360033.db2.gz FYTWGXYNRGCVRS-JOCHJYFZSA-N 2 1 349.478 3.368 20 0 EGADMP Clc1cccc2c1OC[C@@H]2NC1CC[NH+](Cc2ccncc2)CC1 ZINC000366207742 168093781 /nfs/dbraw/zinc/09/37/81/168093781.db2.gz CXDSYWDGWHKILJ-SFHVURJKSA-N 2 1 343.858 3.423 20 0 EGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnn3ccccc23)CC1 ZINC000367621194 168251547 /nfs/dbraw/zinc/25/15/47/168251547.db2.gz DTTDBPBLABMYMP-VQIMIIECSA-N 2 1 326.488 3.467 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000163969611 226034603 /nfs/dbraw/zinc/03/46/03/226034603.db2.gz OZZGCGKUYLXBBK-MRUHUIDDSA-N 2 1 340.515 3.367 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000163969611 226034604 /nfs/dbraw/zinc/03/46/04/226034604.db2.gz OZZGCGKUYLXBBK-MRUHUIDDSA-N 2 1 340.515 3.367 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H](O)c2ccc(C)cc2)CC1 ZINC000122051397 222004858 /nfs/dbraw/zinc/00/48/58/222004858.db2.gz LHHDHWLOZWKZFN-NRFANRHFSA-N 2 1 348.531 3.099 20 0 EGADMP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000174870680 265076755 /nfs/dbraw/zinc/07/67/55/265076755.db2.gz XTZXVJPHEHFWFP-IBGZPJMESA-N 2 1 344.503 3.134 20 0 EGADMP c1cc2c(s1)CC[NH+](CCOCC[N@H+]1CCc3sccc3C1)C2 ZINC000178592885 265327885 /nfs/dbraw/zinc/32/78/85/265327885.db2.gz JNWAJRBYVIEFHS-UHFFFAOYSA-N 2 1 348.537 3.243 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2nc(-c3ccccc3)c[nH]2)C[C@H](C)O1 ZINC000194268098 266103359 /nfs/dbraw/zinc/10/33/59/266103359.db2.gz AMDCTJAOUIVMGD-CALCHBBNSA-N 2 1 342.487 3.056 20 0 EGADMP CN(C)[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000195295074 266172339 /nfs/dbraw/zinc/17/23/39/266172339.db2.gz MCVWAKUQUUTKAG-IBGZPJMESA-N 2 1 331.504 3.060 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000195295074 266172340 /nfs/dbraw/zinc/17/23/40/266172340.db2.gz MCVWAKUQUUTKAG-IBGZPJMESA-N 2 1 331.504 3.060 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000195295074 266172341 /nfs/dbraw/zinc/17/23/41/266172341.db2.gz MCVWAKUQUUTKAG-IBGZPJMESA-N 2 1 331.504 3.060 20 0 EGADMP C[C@H]1C[C@@H](N(C)C(=O)C2(C[NH3+])CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000237527374 266236749 /nfs/dbraw/zinc/23/67/49/266236749.db2.gz OOCSOBCLZPINEQ-HKUYNNGSSA-N 2 1 343.515 3.017 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+]([C@@H]3Cc4ccccc4[C@@H]3O)C2)CC1 ZINC000270846347 266566709 /nfs/dbraw/zinc/56/67/09/266566709.db2.gz WUGWVDMZJSXMRD-WMQCIHAUSA-N 2 1 328.500 3.089 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)CC1 ZINC000274821867 267292666 /nfs/dbraw/zinc/29/26/66/267292666.db2.gz YNNLXVWNRVQHAI-OAHLLOKOSA-N 2 1 341.421 3.358 20 0 EGADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]CCn2cc[nH+]c2C)o1 ZINC000274855951 267297049 /nfs/dbraw/zinc/29/70/49/267297049.db2.gz QOYARALIKSTIDA-UHFFFAOYSA-N 2 1 339.395 3.028 20 0 EGADMP Brc1c[nH+]ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000274887547 267302249 /nfs/dbraw/zinc/30/22/49/267302249.db2.gz IWEBFOOIPJRNCC-IUODEOHRSA-N 2 1 336.277 3.297 20 0 EGADMP Brc1c[nH+]ccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000274887547 267302251 /nfs/dbraw/zinc/30/22/51/267302251.db2.gz IWEBFOOIPJRNCC-IUODEOHRSA-N 2 1 336.277 3.297 20 0 EGADMP C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274953355 267311702 /nfs/dbraw/zinc/31/17/02/267311702.db2.gz VNHMGPUCMXQCGO-UHVFKWDWSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274953355 267311704 /nfs/dbraw/zinc/31/17/04/267311704.db2.gz VNHMGPUCMXQCGO-UHVFKWDWSA-N 2 1 336.479 3.145 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)Nc1ccccc1CC[NH+](C)C)c1ccccc1 ZINC000275599945 267388918 /nfs/dbraw/zinc/38/89/18/267388918.db2.gz GSMHAKGFDOAPGJ-FQEVSTJZSA-N 2 1 339.483 3.422 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccccc1CC[NH+](C)C)c1ccccc1 ZINC000275599945 267388920 /nfs/dbraw/zinc/38/89/20/267388920.db2.gz GSMHAKGFDOAPGJ-FQEVSTJZSA-N 2 1 339.483 3.422 20 0 EGADMP C[C@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000262670737 275233039 /nfs/dbraw/zinc/23/30/39/275233039.db2.gz RLIXJPPIPBIJLG-AOIWGVFYSA-N 2 1 331.504 3.093 20 0 EGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1Cl ZINC000271889202 275238805 /nfs/dbraw/zinc/23/88/05/275238805.db2.gz RNGJDNDWPKPDEW-CQSZACIVSA-N 2 1 335.879 3.217 20 0 EGADMP CCC(CC)(C[NH2+]C1CCN(C=O)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000278719981 275268614 /nfs/dbraw/zinc/26/86/14/275268614.db2.gz MFQOOSMMQZOROI-QGZVFWFLSA-N 2 1 331.504 3.106 20 0 EGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc(C(=O)OC)co2)c1 ZINC000278762535 275272594 /nfs/dbraw/zinc/27/25/94/275272594.db2.gz OQXNBQHKXRQELX-CQSZACIVSA-N 2 1 330.428 3.369 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc(C(=O)OC)co2)c1 ZINC000278762535 275272595 /nfs/dbraw/zinc/27/25/95/275272595.db2.gz OQXNBQHKXRQELX-CQSZACIVSA-N 2 1 330.428 3.369 20 0 EGADMP OCc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278942813 275289818 /nfs/dbraw/zinc/28/98/18/275289818.db2.gz USINUMDMODQLED-UHFFFAOYSA-N 2 1 325.456 3.091 20 0 EGADMP c1[nH+]c(C2CC[NH+](Cc3cccc4c3OCO4)CC2)n2c1CCCC2 ZINC000279332753 275323272 /nfs/dbraw/zinc/32/32/72/275323272.db2.gz DFUOTSHJANPYKN-UHFFFAOYSA-N 2 1 339.439 3.328 20 0 EGADMP COc1ccccc1O[C@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000286502292 276009033 /nfs/dbraw/zinc/00/90/33/276009033.db2.gz PTXOLKUQPHLGEC-MSOLQXFVSA-N 2 1 332.488 3.413 20 0 EGADMP COc1ccccc1O[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000286502292 276009036 /nfs/dbraw/zinc/00/90/36/276009036.db2.gz PTXOLKUQPHLGEC-MSOLQXFVSA-N 2 1 332.488 3.413 20 0 EGADMP COc1ccccc1O[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000286502292 276009037 /nfs/dbraw/zinc/00/90/37/276009037.db2.gz PTXOLKUQPHLGEC-MSOLQXFVSA-N 2 1 332.488 3.413 20 0 EGADMP Cc1cnn(C)c1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000286683317 276032451 /nfs/dbraw/zinc/03/24/51/276032451.db2.gz VPODMQICQABVDT-UHFFFAOYSA-N 2 1 338.455 3.243 20 0 EGADMP FC(F)(F)[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000286871775 276052389 /nfs/dbraw/zinc/05/23/89/276052389.db2.gz HMUWPWVRGAFPDS-DLBZAZTESA-N 2 1 342.405 3.351 20 0 EGADMP C[C@H]1COCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000287351034 276111046 /nfs/dbraw/zinc/11/10/46/276111046.db2.gz GUQBWJDZXXOFQU-WMZOPIPTSA-N 2 1 334.479 3.095 20 0 EGADMP COc1ccncc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000287971250 276173363 /nfs/dbraw/zinc/17/33/63/276173363.db2.gz ZKMNLQRFOCSBKV-WMZOPIPTSA-N 2 1 325.456 3.090 20 0 EGADMP COc1ccncc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287971250 276173365 /nfs/dbraw/zinc/17/33/65/276173365.db2.gz ZKMNLQRFOCSBKV-WMZOPIPTSA-N 2 1 325.456 3.090 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000353988851 276262225 /nfs/dbraw/zinc/26/22/25/276262225.db2.gz YHTOZWHEESQSDM-VQTJNVASSA-N 2 1 341.503 3.182 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000353988851 276262226 /nfs/dbraw/zinc/26/22/26/276262226.db2.gz YHTOZWHEESQSDM-VQTJNVASSA-N 2 1 341.503 3.182 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(-c2ccccc2)cs1 ZINC000289178059 276300447 /nfs/dbraw/zinc/30/04/47/276300447.db2.gz AEVZMVXBKZOSCU-UHFFFAOYSA-N 2 1 343.540 3.484 20 0 EGADMP CC[N@@H+](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)C1CC1 ZINC000120095077 276313523 /nfs/dbraw/zinc/31/35/23/276313523.db2.gz SGWHUHQAPWCJBC-KRWDZBQOSA-N 2 1 349.544 3.122 20 0 EGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1cn(C)nc1-c1cccnc1 ZINC000289502078 276348862 /nfs/dbraw/zinc/34/88/62/276348862.db2.gz SZXOHYMZEWGFDC-UHFFFAOYSA-N 2 1 329.492 3.036 20 0 EGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cn(C)nc1-c1cccnc1 ZINC000289502078 276348863 /nfs/dbraw/zinc/34/88/63/276348863.db2.gz SZXOHYMZEWGFDC-UHFFFAOYSA-N 2 1 329.492 3.036 20 0 EGADMP COCCOCc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000289520367 276352097 /nfs/dbraw/zinc/35/20/97/276352097.db2.gz BCZSPHNWLWTNIW-LJQANCHMSA-N 2 1 348.531 3.451 20 0 EGADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338012482 279387544 /nfs/dbraw/zinc/38/75/44/279387544.db2.gz BBCHPHXAASBFBC-IEBWSBKVSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338012482 279387547 /nfs/dbraw/zinc/38/75/47/279387547.db2.gz BBCHPHXAASBFBC-IEBWSBKVSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249871922 289354597 /nfs/dbraw/zinc/35/45/97/289354597.db2.gz KFIJRLWCMAAYKH-XDNAFOTISA-N 2 1 347.503 3.184 20 0 EGADMP C[C@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249871922 289354600 /nfs/dbraw/zinc/35/46/00/289354600.db2.gz KFIJRLWCMAAYKH-XDNAFOTISA-N 2 1 347.503 3.184 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371341076 290247478 /nfs/dbraw/zinc/24/74/78/290247478.db2.gz LEQBOBVHXLAXIV-GPMSIDNRSA-N 2 1 335.923 3.359 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371341076 290247479 /nfs/dbraw/zinc/24/74/79/290247479.db2.gz LEQBOBVHXLAXIV-GPMSIDNRSA-N 2 1 335.923 3.359 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357852287 295001790 /nfs/dbraw/zinc/00/17/90/295001790.db2.gz NSNDEYUVUZNZJU-OAHLLOKOSA-N 2 1 347.503 3.426 20 0 EGADMP COc1cccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)[NH+](C)C)c1 ZINC000262155834 295326114 /nfs/dbraw/zinc/32/61/14/295326114.db2.gz GJOSBPZCBWQYKS-BQJUDKOJSA-N 2 1 345.531 3.198 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000081283551 307438592 /nfs/dbraw/zinc/43/85/92/307438592.db2.gz NBPBVRBUSNKXOE-QFBILLFUSA-N 2 1 334.508 3.023 20 0 EGADMP OC1CC[NH+](CCC[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414084136 309060143 /nfs/dbraw/zinc/06/01/43/309060143.db2.gz XLBKPCDHAVNUIH-AEFFLSMTSA-N 2 1 336.907 3.413 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@@H](O)C(C)C ZINC000414295313 309071196 /nfs/dbraw/zinc/07/11/96/309071196.db2.gz NPLDNQXXDFCZBV-ADAARDCZSA-N 2 1 330.516 3.282 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)nn1C ZINC000414302757 309071685 /nfs/dbraw/zinc/07/16/85/309071685.db2.gz ONKZGMQJXCGYST-UHFFFAOYSA-N 2 1 326.488 3.394 20 0 EGADMP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000414337587 309073762 /nfs/dbraw/zinc/07/37/62/309073762.db2.gz DQNUQVZVWIGVBW-JLSDUUJJSA-N 2 1 329.463 3.465 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)CCCC2 ZINC000248180812 308000077 /nfs/dbraw/zinc/00/00/77/308000077.db2.gz WJSOYQBHGFKPMN-UTKZUKDTSA-N 2 1 330.516 3.453 20 0 EGADMP CCCOc1ccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248199423 308000268 /nfs/dbraw/zinc/00/02/68/308000268.db2.gz YDBAQBMSQNDNBK-PXNSSMCTSA-N 2 1 332.488 3.270 20 0 EGADMP CCCOc1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248199423 308000270 /nfs/dbraw/zinc/00/02/70/308000270.db2.gz YDBAQBMSQNDNBK-PXNSSMCTSA-N 2 1 332.488 3.270 20 0 EGADMP CCCOc1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248199423 308000271 /nfs/dbraw/zinc/00/02/71/308000271.db2.gz YDBAQBMSQNDNBK-PXNSSMCTSA-N 2 1 332.488 3.270 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000248953306 308015395 /nfs/dbraw/zinc/01/53/95/308015395.db2.gz FMSHFACXODWZNW-OEWRPIJISA-N 2 1 338.495 3.425 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000263243692 308065134 /nfs/dbraw/zinc/06/51/34/308065134.db2.gz HDNDKRHZPSWDJL-PXNSSMCTSA-N 2 1 345.531 3.169 20 0 EGADMP CCc1ncc(C[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)cn1 ZINC000414397340 309077653 /nfs/dbraw/zinc/07/76/53/309077653.db2.gz HRDFTWATVMXBOO-UHFFFAOYSA-N 2 1 330.520 3.373 20 0 EGADMP COCC1(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000292997777 308088563 /nfs/dbraw/zinc/08/85/63/308088563.db2.gz ONFDMUXFSBBVCQ-UHFFFAOYSA-N 2 1 330.516 3.490 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnn(CC(F)F)c2)c1 ZINC000293042345 308092944 /nfs/dbraw/zinc/09/29/44/308092944.db2.gz RKCZIIXLZFCKCJ-UHFFFAOYSA-N 2 1 336.430 3.278 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414457146 309081452 /nfs/dbraw/zinc/08/14/52/309081452.db2.gz FPCZVDHSNSVDQS-INIZCTEOSA-N 2 1 330.451 3.141 20 0 EGADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H](CC(N)=O)c3ccccc3)CC2)C1 ZINC000293515064 308137854 /nfs/dbraw/zinc/13/78/54/308137854.db2.gz ANUVEMXVTYEUKE-VDGAXYAQSA-N 2 1 343.515 3.236 20 0 EGADMP CC(C)c1nc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n[nH]1 ZINC000294769537 308254832 /nfs/dbraw/zinc/25/48/32/308254832.db2.gz KAJPOTGITPVURV-WBVHZDCISA-N 2 1 327.476 3.071 20 0 EGADMP C[C@H](CCCO)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000294864923 308265697 /nfs/dbraw/zinc/26/56/97/308265697.db2.gz UERQCXJIQBRTPW-AYWYSENESA-N 2 1 330.516 3.285 20 0 EGADMP C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000294887782 308268104 /nfs/dbraw/zinc/26/81/04/308268104.db2.gz YCSKIQRBZPEHSF-YIOZNXECSA-N 2 1 334.529 3.137 20 0 EGADMP C[C@H]([NH3+])CCNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414702404 309096288 /nfs/dbraw/zinc/09/62/88/309096288.db2.gz BJXMLOZDMAIFLD-HNNXBMFYSA-N 2 1 332.492 3.310 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ncc(C)s2)cc1 ZINC000296595409 308445215 /nfs/dbraw/zinc/44/52/15/308445215.db2.gz XYNGZUADQYYGHW-UHFFFAOYSA-N 2 1 333.501 3.462 20 0 EGADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414695457 309095742 /nfs/dbraw/zinc/09/57/42/309095742.db2.gz GMCAOLDBMWQMOX-MJGOQNOKSA-N 2 1 330.520 3.008 20 0 EGADMP CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414695705 309095756 /nfs/dbraw/zinc/09/57/56/309095756.db2.gz OMBUDNPAMUMLMN-GJZGRUSLSA-N 2 1 337.895 3.379 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)CC[NH2+]1 ZINC000414732508 309097964 /nfs/dbraw/zinc/09/79/64/309097964.db2.gz AIQFMPAWDQGNBO-KEYYUXOJSA-N 2 1 340.414 3.049 20 0 EGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414770198 309099838 /nfs/dbraw/zinc/09/98/38/309099838.db2.gz ONUPNLDAUDRRSY-HDICACEKSA-N 2 1 338.499 3.427 20 0 EGADMP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414778825 309100509 /nfs/dbraw/zinc/10/05/09/309100509.db2.gz JIXRAVAMMAIZHT-ZIAGYGMSSA-N 2 1 346.425 3.176 20 0 EGADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000414780801 309100721 /nfs/dbraw/zinc/10/07/21/309100721.db2.gz LYQFGIZYRXMZHE-AQNXPRMDSA-N 2 1 328.500 3.184 20 0 EGADMP CCCCCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414797837 309102145 /nfs/dbraw/zinc/10/21/45/309102145.db2.gz YXENWPGTGHQSNR-IBGZPJMESA-N 2 1 346.515 3.443 20 0 EGADMP CCOc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)ccc1OCc1ccccc1 ZINC000414802744 309102476 /nfs/dbraw/zinc/10/24/76/309102476.db2.gz NCCKJZIJTYKKAB-IBGZPJMESA-N 2 1 340.467 3.491 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000414814871 309103417 /nfs/dbraw/zinc/10/34/17/309103417.db2.gz OLBVDHJPMCFWJD-JSGCOSHPSA-N 2 1 341.883 3.173 20 0 EGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1Cl ZINC000414832971 309104479 /nfs/dbraw/zinc/10/44/79/309104479.db2.gz FKVBRFWSZHWKPX-UKRRQHHQSA-N 2 1 325.884 3.329 20 0 EGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414840426 309104863 /nfs/dbraw/zinc/10/48/63/309104863.db2.gz MHECTLZNWUMXKD-AAEUAGOBSA-N 2 1 331.273 3.482 20 0 EGADMP [NH3+]C1(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CCC1 ZINC000414876028 309106762 /nfs/dbraw/zinc/10/67/62/309106762.db2.gz KQVGACRHMMBTPB-UHFFFAOYSA-N 2 1 337.183 3.439 20 0 EGADMP FC(F)Oc1ccc(Br)cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414903197 309108393 /nfs/dbraw/zinc/10/83/93/309108393.db2.gz JIILHJRIGBSNLD-GFCCVEGCSA-N 2 1 349.219 3.282 20 0 EGADMP FC(F)Oc1ccc(Br)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414908774 309108590 /nfs/dbraw/zinc/10/85/90/309108590.db2.gz CYRMFIPGXGHAFZ-LBPRGKRZSA-N 2 1 349.219 3.282 20 0 EGADMP C[NH2+]Cc1ccc(NCc2nc3c(s2)C[N@H+](C(C)C)CC3)cc1 ZINC000414980228 309112616 /nfs/dbraw/zinc/11/26/16/309112616.db2.gz VNAUGROGMPTZCV-UHFFFAOYSA-N 2 1 330.501 3.241 20 0 EGADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000414979823 309112627 /nfs/dbraw/zinc/11/26/27/309112627.db2.gz OQPQDBRIOVBZAO-KRWDZBQOSA-N 2 1 332.419 3.240 20 0 EGADMP CC(C)(C)n1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(-c2ccccc2Cl)n1 ZINC000415032983 309115425 /nfs/dbraw/zinc/11/54/25/309115425.db2.gz IBBXAFFVYKYITA-HWWDLCQESA-N 2 1 344.890 3.266 20 0 EGADMP CCn1c2ccccc2c2cc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)ccc21 ZINC000415049455 309116482 /nfs/dbraw/zinc/11/64/82/309116482.db2.gz YCWBQFGJXWCFCG-KRWDZBQOSA-N 2 1 337.467 3.283 20 0 EGADMP COCCOc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415081352 309119012 /nfs/dbraw/zinc/11/90/12/309119012.db2.gz MSRHODHIDSFXJL-WOJBJXKFSA-N 2 1 340.467 3.295 20 0 EGADMP Cc1cccc(N2CCC([NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)CC2)[nH+]1 ZINC000415091215 309119711 /nfs/dbraw/zinc/11/97/11/309119711.db2.gz PYPALFUVBSSTSJ-PKOBYXMFSA-N 3 1 330.520 3.259 20 0 EGADMP Cc1ccc(COc2ccc(C[N@@H+]3CCCO[C@H](C[NH3+])C3)cc2)cc1 ZINC000415109962 309120968 /nfs/dbraw/zinc/12/09/68/309120968.db2.gz OJUBIVKHZDXZSY-OAQYLSRUSA-N 2 1 340.467 3.124 20 0 EGADMP Cc1ccc(COc2ccc(C[N@H+]3CCCO[C@H](C[NH3+])C3)cc2)cc1 ZINC000415109962 309120969 /nfs/dbraw/zinc/12/09/69/309120969.db2.gz OJUBIVKHZDXZSY-OAQYLSRUSA-N 2 1 340.467 3.124 20 0 EGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)C1 ZINC000415118900 309121528 /nfs/dbraw/zinc/12/15/28/309121528.db2.gz DRIZSJBILKVGNA-WBVHZDCISA-N 2 1 326.843 3.197 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1OC ZINC000415121665 309121728 /nfs/dbraw/zinc/12/17/28/309121728.db2.gz ZDKYVGADOMUMNV-QZTJIDSGSA-N 2 1 326.440 3.287 20 0 EGADMP [NH3+]C1(CNCc2ccccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000415140402 309123418 /nfs/dbraw/zinc/12/34/18/309123418.db2.gz ZDNNBMMWZDKXIS-UHFFFAOYSA-N 2 1 343.902 3.423 20 0 EGADMP Cc1cc2cc(C[N@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)oc2cc1C ZINC000415141980 309123529 /nfs/dbraw/zinc/12/35/29/309123529.db2.gz QDCDDLZMDWCAIC-MOPGFXCFSA-N 2 1 340.467 3.250 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000415928839 309149342 /nfs/dbraw/zinc/14/93/42/309149342.db2.gz GDFYGPZPGFYJRD-JKSUJKDBSA-N 2 1 332.492 3.038 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000415976608 309152408 /nfs/dbraw/zinc/15/24/08/309152408.db2.gz WFZLJFDUECDXRT-INIZCTEOSA-N 2 1 340.471 3.048 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417710822 309219218 /nfs/dbraw/zinc/21/92/18/309219218.db2.gz XVPFXSATSARSAU-RTBURBONSA-N 2 1 346.519 3.030 20 0 EGADMP CCn1cncc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000417887972 309227046 /nfs/dbraw/zinc/22/70/46/309227046.db2.gz ZFVYQNBDKJBPED-QGZVFWFLSA-N 2 1 326.488 3.425 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)n(C)n1 ZINC000417931189 309228818 /nfs/dbraw/zinc/22/88/18/309228818.db2.gz LDHBCHLGRVYRIS-UHFFFAOYSA-N 2 1 326.488 3.394 20 0 EGADMP CCn1cncc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000417940616 309229005 /nfs/dbraw/zinc/22/90/05/309229005.db2.gz LXXPOCHYJDJSJQ-IRXDYDNUSA-N 2 1 326.488 3.149 20 0 EGADMP C[C@@](C[NH3+])([NH2+]Cc1ccc(Br)c2cccnc12)C1CC1 ZINC000420287249 309279480 /nfs/dbraw/zinc/27/94/80/309279480.db2.gz HSKWWFTTWRVURB-INIZCTEOSA-N 2 1 334.261 3.214 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@H](c3ccccc3OC)C2)cc1 ZINC000420294924 309279925 /nfs/dbraw/zinc/27/99/25/309279925.db2.gz BNAIYEIHWVLBID-MSOLQXFVSA-N 2 1 340.467 3.236 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000420309517 309281075 /nfs/dbraw/zinc/28/10/75/309281075.db2.gz UDVMIMVFZJDGHX-ACRUOGEOSA-N 2 1 342.458 3.284 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000420309517 309281076 /nfs/dbraw/zinc/28/10/76/309281076.db2.gz UDVMIMVFZJDGHX-ACRUOGEOSA-N 2 1 342.458 3.284 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000420311424 309281269 /nfs/dbraw/zinc/28/12/69/309281269.db2.gz VVUVNLGLRVINFT-INIZCTEOSA-N 2 1 330.859 3.449 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000420311424 309281270 /nfs/dbraw/zinc/28/12/70/309281270.db2.gz VVUVNLGLRVINFT-INIZCTEOSA-N 2 1 330.859 3.449 20 0 EGADMP CC[C@@](C)([NH2+]C[C@H](C[NH3+])c1ccc(OC)cc1)c1nc(C)cs1 ZINC000420316238 309281553 /nfs/dbraw/zinc/28/15/53/309281553.db2.gz LXVIDBQRHPGZBY-MAUKXSAKSA-N 2 1 333.501 3.417 20 0 EGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CC[C@@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314547 309281604 /nfs/dbraw/zinc/28/16/04/309281604.db2.gz KIVBSZMDTWYTCN-RBBKRZOGSA-N 3 1 341.543 3.364 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CC[C@@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314547 309281605 /nfs/dbraw/zinc/28/16/05/309281605.db2.gz KIVBSZMDTWYTCN-RBBKRZOGSA-N 3 1 341.543 3.364 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CC[C@@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314547 309281606 /nfs/dbraw/zinc/28/16/06/309281606.db2.gz KIVBSZMDTWYTCN-RBBKRZOGSA-N 3 1 341.543 3.364 20 0 EGADMP c1ccc(CN2CCC[C@]3(CC[N@@H+](CC[C@@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314547 309281607 /nfs/dbraw/zinc/28/16/07/309281607.db2.gz KIVBSZMDTWYTCN-RBBKRZOGSA-N 2 1 341.543 3.364 20 0 EGADMP c1ccc(CN2CCC[C@]3(CC[N@H+](CC[C@@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314547 309281608 /nfs/dbraw/zinc/28/16/08/309281608.db2.gz KIVBSZMDTWYTCN-RBBKRZOGSA-N 2 1 341.543 3.364 20 0 EGADMP Cc1ccc([C@@H](C)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c(C)c1 ZINC000420322893 309282000 /nfs/dbraw/zinc/28/20/00/309282000.db2.gz SRDNDZYUANXMRG-QMMLZNLJSA-N 2 1 326.484 3.227 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCSc2ccc(Cl)cc2)CC12CCOCC2 ZINC000420322726 309282127 /nfs/dbraw/zinc/28/21/27/309282127.db2.gz FEHRWQYYQQXUSJ-AWEZNQCLSA-N 2 1 340.920 3.119 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](C2c3ccccc3-c3ccccc32)CC12CCOCC2 ZINC000420323672 309282465 /nfs/dbraw/zinc/28/24/65/309282465.db2.gz GQBRUOQPMJVZJT-MRXNPFEDSA-N 2 1 334.463 3.444 20 0 EGADMP CCn1c2ccc(F)cc2nc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420335179 309282817 /nfs/dbraw/zinc/28/28/17/309282817.db2.gz KFWZCYGZJCCQJX-MRXNPFEDSA-N 2 1 330.451 3.159 20 0 EGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000420353255 309283720 /nfs/dbraw/zinc/28/37/20/309283720.db2.gz BPXDQPYDCXEODG-GOSISDBHSA-N 2 1 325.456 3.402 20 0 EGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000420375221 309285164 /nfs/dbraw/zinc/28/51/64/309285164.db2.gz IOLNYKRQCQPMAD-NVXWUHKLSA-N 2 1 347.484 3.121 20 0 EGADMP CCCO[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420916297 309300868 /nfs/dbraw/zinc/30/08/68/309300868.db2.gz OGMDXZHKQQZGTC-NRFANRHFSA-N 2 1 346.515 3.300 20 0 EGADMP CCCO[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420916297 309300869 /nfs/dbraw/zinc/30/08/69/309300869.db2.gz OGMDXZHKQQZGTC-NRFANRHFSA-N 2 1 346.515 3.300 20 0 EGADMP CCOc1ccc(C[N@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000420976919 309305370 /nfs/dbraw/zinc/30/53/70/309305370.db2.gz HJURBBUUTLMSJG-UHFFFAOYSA-N 2 1 345.531 3.077 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](CC3CCC(F)(F)CC3)CC2)CC1 ZINC000420979861 309305619 /nfs/dbraw/zinc/30/56/19/309305619.db2.gz KUFJFXIMUSITDP-UHFFFAOYSA-N 2 1 343.506 3.304 20 0 EGADMP COC1([C@@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCCCC1 ZINC000421832285 309342287 /nfs/dbraw/zinc/34/22/87/309342287.db2.gz GBLDXJVILIJWHZ-GOSISDBHSA-N 2 1 338.536 3.349 20 0 EGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000421838808 309342621 /nfs/dbraw/zinc/34/26/21/309342621.db2.gz VQQDEKIVXGXNHM-YOEHRIQHSA-N 2 1 342.886 3.237 20 0 EGADMP COC1([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCCC1 ZINC000421842495 309342744 /nfs/dbraw/zinc/34/27/44/309342744.db2.gz OAGGTYCWXQZMML-YLJYHZDGSA-N 2 1 346.515 3.081 20 0 EGADMP c1ccc(OC2CCCC2)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422691117 309363383 /nfs/dbraw/zinc/36/33/83/309363383.db2.gz HMEHSYUYNOQQJY-VAMGGRTRSA-N 2 1 344.499 3.255 20 0 EGADMP COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422774600 309367622 /nfs/dbraw/zinc/36/76/22/309367622.db2.gz XPDPFSKIJDAEIL-HOCLYGCPSA-N 2 1 336.476 3.113 20 0 EGADMP CCCC[NH+]1CCC([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422794736 309368574 /nfs/dbraw/zinc/36/85/74/309368574.db2.gz ZEVLZOFXYDTPDC-PZJWPPBQSA-N 3 1 343.515 3.096 20 0 EGADMP CCC(CC)(C[NH3+])NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422835448 309370895 /nfs/dbraw/zinc/37/08/95/309370895.db2.gz YNWFYXMIVNRGFI-INIZCTEOSA-N 2 1 346.519 3.127 20 0 EGADMP Fc1cccc(Oc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cn2)c1 ZINC000422843721 309371690 /nfs/dbraw/zinc/37/16/90/309371690.db2.gz JHLMABOLVBIFLP-SJPCQFCGSA-N 2 1 327.403 3.386 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c(OC[C@@H]2CCCO2)c1 ZINC000422870763 309372885 /nfs/dbraw/zinc/37/28/85/309372885.db2.gz CFDJHHPORMOTPL-GBESFXJTSA-N 2 1 332.488 3.302 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422874858 309373147 /nfs/dbraw/zinc/37/31/47/309373147.db2.gz DKZBPWUBJDFEOR-ZEDDUWKQSA-N 3 1 327.516 3.291 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422874858 309373148 /nfs/dbraw/zinc/37/31/48/309373148.db2.gz DKZBPWUBJDFEOR-ZEDDUWKQSA-N 2 1 327.516 3.291 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422874858 309373149 /nfs/dbraw/zinc/37/31/49/309373149.db2.gz DKZBPWUBJDFEOR-ZEDDUWKQSA-N 2 1 327.516 3.291 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422901618 309375226 /nfs/dbraw/zinc/37/52/26/309375226.db2.gz SIRQVDSEPODGTC-FXAWDEMLSA-N 2 1 338.499 3.120 20 0 EGADMP COc1cc(OC)cc(OCCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422929387 309376684 /nfs/dbraw/zinc/37/66/84/309376684.db2.gz PSRZQSQQANHKAN-WOJBJXKFSA-N 2 1 342.439 3.207 20 0 EGADMP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)CC2 ZINC000422939316 309377230 /nfs/dbraw/zinc/37/72/30/309377230.db2.gz LWBPFZZXEHZHKS-VAMGGRTRSA-N 2 1 338.499 3.404 20 0 EGADMP CC[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423005146 309380520 /nfs/dbraw/zinc/38/05/20/309380520.db2.gz QWJGWQLKMOGKKQ-VMXMFDLUSA-N 3 1 329.532 3.407 20 0 EGADMP CC[C@H](NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423005146 309380521 /nfs/dbraw/zinc/38/05/21/309380521.db2.gz QWJGWQLKMOGKKQ-VMXMFDLUSA-N 2 1 329.532 3.407 20 0 EGADMP CC[C@H](NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423005146 309380522 /nfs/dbraw/zinc/38/05/22/309380522.db2.gz QWJGWQLKMOGKKQ-VMXMFDLUSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423005989 309380675 /nfs/dbraw/zinc/38/06/75/309380675.db2.gz TZODSXTVGKHUQT-HZEGPAAWSA-N 3 1 329.532 3.394 20 0 EGADMP COC[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccc(F)c(F)c1 ZINC000423018235 309381173 /nfs/dbraw/zinc/38/11/73/309381173.db2.gz QLOKWMVOFFOPQT-KPZWWZAWSA-N 2 1 335.398 3.165 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000423113835 309386614 /nfs/dbraw/zinc/38/66/14/309386614.db2.gz ZHRKNIQJBXQCJZ-LIRRHRJNSA-N 2 1 346.906 3.456 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000423113834 309386662 /nfs/dbraw/zinc/38/66/62/309386662.db2.gz ZHRKNIQJBXQCJZ-KUHUBIRLSA-N 2 1 346.906 3.456 20 0 EGADMP Fc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423132948 309387664 /nfs/dbraw/zinc/38/76/64/309387664.db2.gz PWBXTMFHOOEKOC-BJLQDIEVSA-N 2 1 339.458 3.487 20 0 EGADMP CC(C)OCCOC1CC[NH+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000423155508 309388745 /nfs/dbraw/zinc/38/87/45/309388745.db2.gz LGQHKQNLGNJGQA-PZJWPPBQSA-N 2 1 346.515 3.386 20 0 EGADMP COCCC[C@H]([NH2+][C@H]1CCCNC1)c1ccc(Br)cc1 ZINC000423183863 309389431 /nfs/dbraw/zinc/38/94/31/309389431.db2.gz ICBFONMVMOXSHT-HOTGVXAUSA-N 2 1 341.293 3.258 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3CCC[NH2+]C3)[C@@H]3CCC[C@H]32)cc1 ZINC000423220076 309391028 /nfs/dbraw/zinc/39/10/28/309391028.db2.gz XWKIUJLIKQIYKM-IVAOSVALSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCC[NH2+]C3)[C@@H]3CCC[C@H]32)cc1 ZINC000423220076 309391029 /nfs/dbraw/zinc/39/10/29/309391029.db2.gz XWKIUJLIKQIYKM-IVAOSVALSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCC[NH2+]C3)[C@@H]3CCC[C@H]32)cc1 ZINC000423220076 309391030 /nfs/dbraw/zinc/39/10/30/309391030.db2.gz XWKIUJLIKQIYKM-IVAOSVALSA-N 3 1 327.516 3.019 20 0 EGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2c1cc(Br)cc2Cl)C1CC1 ZINC000423271928 309393333 /nfs/dbraw/zinc/39/33/33/309393333.db2.gz HROBLZDQAKIDRS-ZIAGYGMSSA-N 2 1 329.669 3.417 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000423308903 309394590 /nfs/dbraw/zinc/39/45/90/309394590.db2.gz PENYUFFWCGMJQW-UGSOOPFHSA-N 2 1 345.874 3.392 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000423330987 309395577 /nfs/dbraw/zinc/39/55/77/309395577.db2.gz OAPJKDATFNOWNT-ZIFCJYIRSA-N 2 1 337.552 3.158 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000423355997 309396714 /nfs/dbraw/zinc/39/67/14/309396714.db2.gz GGWXSOXAPXZHDY-YRNRMSPPSA-N 2 1 337.467 3.272 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000423355996 309396845 /nfs/dbraw/zinc/39/68/45/309396845.db2.gz GGWXSOXAPXZHDY-TWOQFEAHSA-N 2 1 337.467 3.272 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423365043 309397107 /nfs/dbraw/zinc/39/71/07/309397107.db2.gz PCCBFKIAICELFH-BQJUDKOJSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423365043 309397108 /nfs/dbraw/zinc/39/71/08/309397108.db2.gz PCCBFKIAICELFH-BQJUDKOJSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423365043 309397109 /nfs/dbraw/zinc/39/71/09/309397109.db2.gz PCCBFKIAICELFH-BQJUDKOJSA-N 3 1 327.516 3.019 20 0 EGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1I ZINC000423391151 309398404 /nfs/dbraw/zinc/39/84/04/309398404.db2.gz PKFZSIIYKMCWMT-TUAOUCFPSA-N 2 1 344.240 3.212 20 0 EGADMP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000429502444 309583184 /nfs/dbraw/zinc/58/31/84/309583184.db2.gz JRKCKXNSLCGJFP-UGSOOPFHSA-N 2 1 345.874 3.279 20 0 EGADMP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000430940962 309621585 /nfs/dbraw/zinc/62/15/85/309621585.db2.gz SMVOPFMTIHPANF-MNOVXSKESA-N 2 1 344.286 3.380 20 0 EGADMP CC(C)N(C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C(C)C ZINC000434688443 309717767 /nfs/dbraw/zinc/71/77/67/309717767.db2.gz MCKAFYRQNLTYEL-UHFFFAOYSA-N 2 1 346.519 3.044 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000448342985 310002405 /nfs/dbraw/zinc/00/24/05/310002405.db2.gz ICBHDOZWOFUYJG-HNNXBMFYSA-N 2 1 339.549 3.373 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000448342985 310002406 /nfs/dbraw/zinc/00/24/06/310002406.db2.gz ICBHDOZWOFUYJG-HNNXBMFYSA-N 2 1 339.549 3.373 20 0 EGADMP Cc1cccc(N2CCC([NH2+]Cc3ccnn3C3CCCC3)CC2)[nH+]1 ZINC000449140254 310039935 /nfs/dbraw/zinc/03/99/35/310039935.db2.gz IKSGJHCYGDOGCR-UHFFFAOYSA-N 2 1 339.487 3.460 20 0 EGADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000449165571 310041746 /nfs/dbraw/zinc/04/17/46/310041746.db2.gz AFDIPKHGHDJLEL-FGZHOGPDSA-N 2 1 338.495 3.010 20 0 EGADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000449165571 310041747 /nfs/dbraw/zinc/04/17/47/310041747.db2.gz AFDIPKHGHDJLEL-FGZHOGPDSA-N 2 1 338.495 3.010 20 0 EGADMP OCC1(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000449579797 310073455 /nfs/dbraw/zinc/07/34/55/310073455.db2.gz JVGPCMZPRMOJOX-HSALFYBXSA-N 2 1 328.500 3.039 20 0 EGADMP CC1(C)CCC[N@H+]1CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000449781928 310086791 /nfs/dbraw/zinc/08/67/91/310086791.db2.gz JOFLWYKCJKMYPE-UHFFFAOYSA-N 2 1 329.532 3.158 20 0 EGADMP CCc1ccc2[nH+]ccc(N3C[C@@H]([NH+]4CCOCC4)C[C@H]3C)c2c1 ZINC000450529657 310128445 /nfs/dbraw/zinc/12/84/45/310128445.db2.gz NSXBHABDBZMTSM-WBVHZDCISA-N 2 1 325.456 3.097 20 0 EGADMP CCO[C@@H]1CC[N@@H+](C[C@@H](C)C[NH+]2CC[C@H](OCC)[C@@H](C)C2)C[C@@H]1C ZINC000451551486 310185590 /nfs/dbraw/zinc/18/55/90/310185590.db2.gz XYHREWHEYLRTFD-VYJAJWGXSA-N 2 1 340.552 3.116 20 0 EGADMP CCO[C@@H]1CC[NH+](C[C@@H](C)C[N@@H+]2CC[C@H](OCC)[C@@H](C)C2)C[C@@H]1C ZINC000451551486 310185591 /nfs/dbraw/zinc/18/55/91/310185591.db2.gz XYHREWHEYLRTFD-VYJAJWGXSA-N 2 1 340.552 3.116 20 0 EGADMP CCO[C@@H]1CC[NH+](C[C@@H](C)C[N@H+]2CC[C@H](OCC)[C@@H](C)C2)C[C@@H]1C ZINC000451551486 310185592 /nfs/dbraw/zinc/18/55/92/310185592.db2.gz XYHREWHEYLRTFD-VYJAJWGXSA-N 2 1 340.552 3.116 20 0 EGADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccncc1 ZINC000453073673 310256104 /nfs/dbraw/zinc/25/61/04/310256104.db2.gz FXZQVUJNSBLONF-FQEVSTJZSA-N 2 1 325.456 3.155 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000453200042 310263713 /nfs/dbraw/zinc/26/37/13/310263713.db2.gz ULXNDOOXKQSYCL-SFTDATJTSA-N 2 1 328.500 3.312 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453388617 310274250 /nfs/dbraw/zinc/27/42/50/310274250.db2.gz BTEUOFSFCTYNCS-AWEZNQCLSA-N 2 1 333.476 3.179 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000454308780 310302676 /nfs/dbraw/zinc/30/26/76/310302676.db2.gz BPEDNDHEKXKIEE-BEFAXECRSA-N 2 1 344.503 3.231 20 0 EGADMP Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000459549376 310560137 /nfs/dbraw/zinc/56/01/37/310560137.db2.gz NNZLHMIGGOKMAL-RBUKOAKNSA-N 2 1 336.426 3.481 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000482164221 310927693 /nfs/dbraw/zinc/92/76/93/310927693.db2.gz NXDHNMVFAQZRDI-GUDVDZBRSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488423864 311064816 /nfs/dbraw/zinc/06/48/16/311064816.db2.gz XBFMMQJBVKLQTL-SJORKVTESA-N 2 1 328.566 3.386 20 0 EGADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)NC(=O)OC(C)(C)C ZINC000492439217 311250945 /nfs/dbraw/zinc/25/09/45/311250945.db2.gz VNALULDCYQQRQZ-BZUAXINKSA-N 2 1 339.524 3.142 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000492694866 311281354 /nfs/dbraw/zinc/28/13/54/311281354.db2.gz FLIAXOJTDDWLNM-IKGGRYGDSA-N 2 1 339.524 3.144 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000497246097 311843187 /nfs/dbraw/zinc/84/31/87/311843187.db2.gz OIUDFWKDJQITEI-HZPDHXFCSA-N 2 1 336.480 3.007 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000507507893 312075694 /nfs/dbraw/zinc/07/56/94/312075694.db2.gz IIDUFGRZNJDBLV-MRXNPFEDSA-N 2 1 335.458 3.257 20 0 EGADMP C[C@@H](C(=O)N1CCC[NH+](CC2CCCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000508191086 312090557 /nfs/dbraw/zinc/09/05/57/312090557.db2.gz ARNLJVHZEXINND-OTWHNJEPSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000508191086 312090558 /nfs/dbraw/zinc/09/05/58/312090558.db2.gz ARNLJVHZEXINND-OTWHNJEPSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000508191086 312090560 /nfs/dbraw/zinc/09/05/60/312090560.db2.gz ARNLJVHZEXINND-OTWHNJEPSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000513884796 312219330 /nfs/dbraw/zinc/21/93/30/312219330.db2.gz FFQVYRWTVCVQOK-FGTMMUONSA-N 2 1 343.506 3.302 20 0 EGADMP Cc1ccccc1C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000514875464 312251849 /nfs/dbraw/zinc/25/18/49/312251849.db2.gz QTUFMPIAYHXUKC-WIYYLYMNSA-N 2 1 330.516 3.407 20 0 EGADMP Cc1ccccc1C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000514875464 312251851 /nfs/dbraw/zinc/25/18/51/312251851.db2.gz QTUFMPIAYHXUKC-WIYYLYMNSA-N 2 1 330.516 3.407 20 0 EGADMP CC(C)[NH2+]C1(CO)CC[NH+](CCc2ccc3ccccc3c2)CC1 ZINC000516083129 312307888 /nfs/dbraw/zinc/30/78/88/312307888.db2.gz NFLVZXIAQYQDKK-UHFFFAOYSA-N 2 1 326.484 3.207 20 0 EGADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000528392583 313082484 /nfs/dbraw/zinc/08/24/84/313082484.db2.gz ULKOZKHIFXQSGY-QUCCMNQESA-N 2 1 334.479 3.191 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528731286 313158568 /nfs/dbraw/zinc/15/85/68/313158568.db2.gz SUTNGCJGAYSXDH-FQEVSTJZSA-N 2 1 325.456 3.441 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528731286 313158570 /nfs/dbraw/zinc/15/85/70/313158570.db2.gz SUTNGCJGAYSXDH-FQEVSTJZSA-N 2 1 325.456 3.441 20 0 EGADMP COc1cccc([C@H]2C[N@@H+](Cc3cnc(N(C)C)n3C)CC2(C)C)c1 ZINC000529642351 313376201 /nfs/dbraw/zinc/37/62/01/313376201.db2.gz VZMBZFGZXYYQJI-GOSISDBHSA-N 2 1 342.487 3.120 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1(C)C ZINC000537288653 314172288 /nfs/dbraw/zinc/17/22/88/314172288.db2.gz LYIKZPNUOJPVSV-HSALFYBXSA-N 2 1 330.516 3.344 20 0 EGADMP CC[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000538724170 314270077 /nfs/dbraw/zinc/27/00/77/314270077.db2.gz WINMXIRCXWMMED-ZVDOUQERSA-N 2 1 329.532 3.138 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2Cc3ccccc3C2)[C@H](C)C1 ZINC000539070498 314293989 /nfs/dbraw/zinc/29/39/89/314293989.db2.gz LZWXOIAIEKCCOD-UTKZUKDTSA-N 2 1 330.516 3.128 20 0 EGADMP CCCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000539825025 314342680 /nfs/dbraw/zinc/34/26/80/314342680.db2.gz OODBHYLETUCXDM-HXUWFJFHSA-N 2 1 345.531 3.076 20 0 EGADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000548792386 315047954 /nfs/dbraw/zinc/04/79/54/315047954.db2.gz ZOPWOKZZXCIVLG-CYBMUJFWSA-N 2 1 328.403 3.117 20 0 EGADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000548792386 315047957 /nfs/dbraw/zinc/04/79/57/315047957.db2.gz ZOPWOKZZXCIVLG-CYBMUJFWSA-N 2 1 328.403 3.117 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000554112306 315298709 /nfs/dbraw/zinc/29/87/09/315298709.db2.gz PCCSMCKYMGXREG-HOTGVXAUSA-N 2 1 332.492 3.209 20 0 EGADMP CC(C)Cc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000554401709 315315800 /nfs/dbraw/zinc/31/58/00/315315800.db2.gz GXTHXYDTOWDQDD-QMMLZNLJSA-N 2 1 331.548 3.418 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1Oc1ccncc1 ZINC000554795431 315349180 /nfs/dbraw/zinc/34/91/80/315349180.db2.gz DTQGQMRVKOGCFH-RDTXWAMCSA-N 2 1 337.423 3.086 20 0 EGADMP COC(=O)C(C)(C)CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000555015260 315362305 /nfs/dbraw/zinc/36/23/05/315362305.db2.gz HLTXHPTXNRSODV-UHFFFAOYSA-N 2 1 346.515 3.420 20 0 EGADMP CCc1c(C)[nH+]c2ccccc2c1N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000561356468 315758297 /nfs/dbraw/zinc/75/82/97/315758297.db2.gz OXMZQENTUIYPRY-NVXWUHKLSA-N 2 1 339.483 3.405 20 0 EGADMP CCc1c(C)[nH+]c2ccccc2c1N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000561356469 315758352 /nfs/dbraw/zinc/75/83/52/315758352.db2.gz OXMZQENTUIYPRY-RDJZCZTQSA-N 2 1 339.483 3.405 20 0 EGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000563349818 316003794 /nfs/dbraw/zinc/00/37/94/316003794.db2.gz KCLCCODZHMCRSA-OCCSQVGLSA-N 2 1 338.377 3.203 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCc2ccc(-c3ccccc3)cc21)C1CC1 ZINC000564873722 316224387 /nfs/dbraw/zinc/22/43/87/316224387.db2.gz RHZDOBUIZVGOCH-UNMCSNQZSA-N 2 1 336.479 3.386 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCc2ccc(-c3ccccc3)cc21)C1CC1 ZINC000564873722 316224389 /nfs/dbraw/zinc/22/43/89/316224389.db2.gz RHZDOBUIZVGOCH-UNMCSNQZSA-N 2 1 336.479 3.386 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC2CC[NH+](CC)CC2)cc1)C(C)C ZINC000565787672 316370630 /nfs/dbraw/zinc/37/06/30/316370630.db2.gz NPFHJUBXVUZMTO-UHFFFAOYSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)[C@H](C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)[C@H](C)[NH3+] ZINC000566676976 316511943 /nfs/dbraw/zinc/51/19/43/316511943.db2.gz GZIRJPZWELCUGL-ZFWWWQNUSA-N 2 1 338.521 3.077 20 0 EGADMP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OC(F)F ZINC000570436636 317055046 /nfs/dbraw/zinc/05/50/46/317055046.db2.gz DREMSUNUZNSWDD-HIFRSBDPSA-N 2 1 342.430 3.459 20 0 EGADMP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OC(F)F ZINC000570436636 317055047 /nfs/dbraw/zinc/05/50/47/317055047.db2.gz DREMSUNUZNSWDD-HIFRSBDPSA-N 2 1 342.430 3.459 20 0 EGADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000570436636 317055049 /nfs/dbraw/zinc/05/50/49/317055049.db2.gz DREMSUNUZNSWDD-HIFRSBDPSA-N 2 1 342.430 3.459 20 0 EGADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000570436636 317055051 /nfs/dbraw/zinc/05/50/51/317055051.db2.gz DREMSUNUZNSWDD-HIFRSBDPSA-N 2 1 342.430 3.459 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[NH+]1CC(C)C1 ZINC000572828049 317397175 /nfs/dbraw/zinc/39/71/75/317397175.db2.gz YQYKMQGNEISPHW-KRWDZBQOSA-N 2 1 329.488 3.197 20 0 EGADMP CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cccc2nccn21 ZINC000179579842 323394035 /nfs/dbraw/zinc/39/40/35/323394035.db2.gz SLOSVWGPZOBOER-UHFFFAOYSA-N 2 1 340.402 3.323 20 0 EGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000382766621 324254153 /nfs/dbraw/zinc/25/41/53/324254153.db2.gz VUMUYMBLXPALAL-HKUYNNGSSA-N 2 1 345.531 3.134 20 0 EGADMP CN(C(=O)C[C@@H]1CCCC[C@@H]1[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388579005 324275813 /nfs/dbraw/zinc/27/58/13/324275813.db2.gz FNVUXBSUYBQZDQ-ZCNNSNEGSA-N 2 1 343.515 3.017 20 0 EGADMP COCC[C@H]([NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C(C)(C)C ZINC000337946390 456616517 /nfs/dbraw/zinc/61/65/17/456616517.db2.gz BXTZZKKFJIUIAN-INIZCTEOSA-N 2 1 339.549 3.450 20 0 EGADMP COCC[C@H]([NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C(C)(C)C ZINC000337946390 456616525 /nfs/dbraw/zinc/61/65/25/456616525.db2.gz BXTZZKKFJIUIAN-INIZCTEOSA-N 2 1 339.549 3.450 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCC(C)(C)CC2)[C@@H](C)C1 ZINC000579733402 325153024 /nfs/dbraw/zinc/15/30/24/325153024.db2.gz CEZNFWIJKRWXPL-ZWKOTPCHSA-N 2 1 340.552 3.044 20 0 EGADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000580414197 325247214 /nfs/dbraw/zinc/24/72/14/325247214.db2.gz HHMNDOPJMVGCST-YJBOKZPZSA-N 2 1 335.455 3.288 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000580427257 325248512 /nfs/dbraw/zinc/24/85/12/325248512.db2.gz MDQVKVWYRZILKV-CZUORRHYSA-N 2 1 330.394 3.400 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000580427257 325248515 /nfs/dbraw/zinc/24/85/15/325248515.db2.gz MDQVKVWYRZILKV-CZUORRHYSA-N 2 1 330.394 3.400 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000580427257 325248519 /nfs/dbraw/zinc/24/85/19/325248519.db2.gz MDQVKVWYRZILKV-CZUORRHYSA-N 2 1 330.394 3.400 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000580427257 325248521 /nfs/dbraw/zinc/24/85/21/325248521.db2.gz MDQVKVWYRZILKV-CZUORRHYSA-N 2 1 330.394 3.400 20 0 EGADMP C[C@H](C[NH2+][C@@H](C)c1cncc(Br)c1)C[NH+]1CCCC1 ZINC000581737325 325387843 /nfs/dbraw/zinc/38/78/43/325387843.db2.gz DIYZWEDVVHPLDA-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccc(F)cc2Cl)s1 ZINC000352754494 457583158 /nfs/dbraw/zinc/58/31/58/457583158.db2.gz JDWKNHURSZYUFV-UHFFFAOYSA-N 2 1 327.856 3.330 20 0 EGADMP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430951360 458510248 /nfs/dbraw/zinc/51/02/48/458510248.db2.gz VHPIWNKISXGMPJ-WDEREUQCSA-N 2 1 344.286 3.380 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)Oc1cccc(Br)c1 ZINC000483817237 459394941 /nfs/dbraw/zinc/39/49/41/459394941.db2.gz KGWBGGLSWJHZBS-ZENOOKHLSA-N 2 1 341.293 3.146 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ncc(Br)cc2F)[C@@H]1CCC[NH3+] ZINC000631829762 460576381 /nfs/dbraw/zinc/57/63/81/460576381.db2.gz YXURZRNNIZUTAD-IAQYHMDHSA-N 2 1 344.272 3.323 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ncc(Br)cc2F)[C@@H]1CCC[NH3+] ZINC000631829762 460576387 /nfs/dbraw/zinc/57/63/87/460576387.db2.gz YXURZRNNIZUTAD-IAQYHMDHSA-N 2 1 344.272 3.323 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2SC)C1 ZINC000081572897 453889929 /nfs/dbraw/zinc/88/99/29/453889929.db2.gz WBXNXFJGHDLEFO-INIZCTEOSA-N 2 1 349.544 3.401 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2SC)C1 ZINC000081572897 453889932 /nfs/dbraw/zinc/88/99/32/453889932.db2.gz WBXNXFJGHDLEFO-INIZCTEOSA-N 2 1 349.544 3.401 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2SC)C1 ZINC000081572897 453889936 /nfs/dbraw/zinc/88/99/36/453889936.db2.gz WBXNXFJGHDLEFO-INIZCTEOSA-N 2 1 349.544 3.401 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000066960898 453890738 /nfs/dbraw/zinc/89/07/38/453890738.db2.gz ZVSWXSACHQWYPU-GOSISDBHSA-N 2 1 339.568 3.464 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000066960897 453890988 /nfs/dbraw/zinc/89/09/88/453890988.db2.gz ZVSWXSACHQWYPU-SFHVURJKSA-N 2 1 339.568 3.464 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccccn1 ZINC000245940639 455404368 /nfs/dbraw/zinc/40/43/68/455404368.db2.gz QWHSJZZNNFGJJO-DLBZAZTESA-N 2 1 325.456 3.153 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccccn1 ZINC000245940639 455404370 /nfs/dbraw/zinc/40/43/70/455404370.db2.gz QWHSJZZNNFGJJO-DLBZAZTESA-N 2 1 325.456 3.153 20 0 EGADMP C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000057889116 454155730 /nfs/dbraw/zinc/15/57/30/454155730.db2.gz NKVAWTYKOXETHI-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000089728343 454183522 /nfs/dbraw/zinc/18/35/22/454183522.db2.gz LRQBCJIKZYFKAG-IOASZLSFSA-N 2 1 348.878 3.251 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(c2cc(NCC3CC3)ncn2)CC1 ZINC000119521451 454201077 /nfs/dbraw/zinc/20/10/77/454201077.db2.gz NEQCVSHTZLUSDH-UHFFFAOYSA-N 2 1 331.508 3.247 20 0 EGADMP CSc1ccccc1NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130556527 454204769 /nfs/dbraw/zinc/20/47/69/454204769.db2.gz CIVBUXHMBBTETJ-AWEZNQCLSA-N 2 1 346.500 3.263 20 0 EGADMP CSc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130556527 454204772 /nfs/dbraw/zinc/20/47/72/454204772.db2.gz CIVBUXHMBBTETJ-AWEZNQCLSA-N 2 1 346.500 3.263 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cnn(C(C)C)c3)CC2)nc(C)[nH+]1 ZINC000095968996 454243533 /nfs/dbraw/zinc/24/35/33/454243533.db2.gz UMKJAMUYUIGLND-OAHLLOKOSA-N 2 1 342.491 3.190 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000046658960 454271768 /nfs/dbraw/zinc/27/17/68/454271768.db2.gz ZOTZILRDFWCOLA-GOSISDBHSA-N 2 1 343.471 3.154 20 0 EGADMP C[C@@H](c1cnccn1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000184709320 455433377 /nfs/dbraw/zinc/43/33/77/455433377.db2.gz NALPIJKRHDUEMN-INIZCTEOSA-N 2 1 325.460 3.171 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000090450655 454307454 /nfs/dbraw/zinc/30/74/54/454307454.db2.gz XNUHHIONULKYPX-JTNHKYCSSA-N 2 1 332.275 3.086 20 0 EGADMP Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2)c(C[NH+](C)C)c1 ZINC000072839756 454349248 /nfs/dbraw/zinc/34/92/48/454349248.db2.gz JYVUANIIJMUEHL-UHFFFAOYSA-N 2 1 325.456 3.127 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2)c(C[NH+](C)C)c1 ZINC000072839756 454349251 /nfs/dbraw/zinc/34/92/51/454349251.db2.gz JYVUANIIJMUEHL-UHFFFAOYSA-N 2 1 325.456 3.127 20 0 EGADMP CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000073125483 454398240 /nfs/dbraw/zinc/39/82/40/454398240.db2.gz SFVOPRHLJSJRJB-MRXNPFEDSA-N 2 1 338.455 3.287 20 0 EGADMP C[NH+](C)CCC1CC[NH+](Cc2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000133462637 454428039 /nfs/dbraw/zinc/42/80/39/454428039.db2.gz RQYQBYHDVMMZMB-UHFFFAOYSA-N 2 1 348.441 3.314 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccco1 ZINC000101660472 454480615 /nfs/dbraw/zinc/48/06/15/454480615.db2.gz PVBBXYFKJLZLNO-VVLHAWIVSA-N 2 1 335.492 3.040 20 0 EGADMP C[C@H](c1ccncc1)[N@@H+](C)CCOCC[NH+](C)[C@@H](C)c1ccncc1 ZINC000091988518 454501345 /nfs/dbraw/zinc/50/13/45/454501345.db2.gz RZHDRYBFPVUUCM-HDICACEKSA-N 2 1 342.487 3.179 20 0 EGADMP C[C@H](c1ccncc1)[NH+](C)CCOCC[N@H+](C)[C@@H](C)c1ccncc1 ZINC000091988518 454501353 /nfs/dbraw/zinc/50/13/53/454501353.db2.gz RZHDRYBFPVUUCM-HDICACEKSA-N 2 1 342.487 3.179 20 0 EGADMP C[C@H](c1ccncc1)[NH+](C)CCOCC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000091988518 454501357 /nfs/dbraw/zinc/50/13/57/454501357.db2.gz RZHDRYBFPVUUCM-HDICACEKSA-N 2 1 342.487 3.179 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000122547092 454545529 /nfs/dbraw/zinc/54/55/29/454545529.db2.gz ZZIYZULOJWWSSK-JKSUJKDBSA-N 2 1 336.480 3.007 20 0 EGADMP CC[C@]1(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC000134600761 454566773 /nfs/dbraw/zinc/56/67/73/454566773.db2.gz JWRFCNCMWHCHHM-YFVAEKQCSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(F)cn1 ZINC000092766664 454629248 /nfs/dbraw/zinc/62/92/48/454629248.db2.gz AQPCTLISPZKTOG-HNNXBMFYSA-N 2 1 343.446 3.028 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(F)cn1 ZINC000092766665 454629789 /nfs/dbraw/zinc/62/97/89/454629789.db2.gz AQPCTLISPZKTOG-OAHLLOKOSA-N 2 1 343.446 3.028 20 0 EGADMP COc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000634998417 460644918 /nfs/dbraw/zinc/64/49/18/460644918.db2.gz FKXYJARSPBIIHM-QFBILLFUSA-N 2 1 340.467 3.301 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(C[NH+](CC)C(C)C)cc1 ZINC000066139371 454659007 /nfs/dbraw/zinc/65/90/07/454659007.db2.gz ZRUKEWPSWNGEEO-KRWDZBQOSA-N 2 1 333.520 3.377 20 0 EGADMP CC[C@H](C)[NH+](C)CCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000066139371 454659012 /nfs/dbraw/zinc/65/90/12/454659012.db2.gz ZRUKEWPSWNGEEO-KRWDZBQOSA-N 2 1 333.520 3.377 20 0 EGADMP CC[C@H](C)[NH+](C)CCNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000066139371 454659016 /nfs/dbraw/zinc/65/90/16/454659016.db2.gz ZRUKEWPSWNGEEO-KRWDZBQOSA-N 2 1 333.520 3.377 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc4cc(C)c(C)cc4o3)C2)CC1 ZINC000093133118 454686867 /nfs/dbraw/zinc/68/68/67/454686867.db2.gz LHHDXGCAFQYUBP-LJQANCHMSA-N 2 1 341.499 3.261 20 0 EGADMP CCC[NH+]1CCC([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC1 ZINC000161613958 454707630 /nfs/dbraw/zinc/70/76/30/454707630.db2.gz IYJUDDWDHVKBLP-UHFFFAOYSA-N 2 1 347.522 3.297 20 0 EGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C(C)(C)c1ccccc1 ZINC000124333934 454720120 /nfs/dbraw/zinc/72/01/20/454720120.db2.gz MYDIFDSBAGBAJM-GOSISDBHSA-N 2 1 331.548 3.216 20 0 EGADMP CN(c1ccccc1C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C)C1CC[NH+](C)CC1 ZINC000093661092 454726544 /nfs/dbraw/zinc/72/65/44/454726544.db2.gz SWSZDNTVKLDVNL-KDURUIRLSA-N 2 1 327.516 3.305 20 0 EGADMP CC[C@H](C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)[NH+](C)C ZINC000124857928 454777153 /nfs/dbraw/zinc/77/71/53/454777153.db2.gz MYSUBNSCXLRVMW-QGZVFWFLSA-N 2 1 328.460 3.334 20 0 EGADMP CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000137729290 454784959 /nfs/dbraw/zinc/78/49/59/454784959.db2.gz RCDLANQEYDSOTL-QGZVFWFLSA-N 2 1 347.503 3.078 20 0 EGADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCCCC1 ZINC000163106718 454823264 /nfs/dbraw/zinc/82/32/64/454823264.db2.gz KFOSGPPCWSPWEK-OAQYLSRUSA-N 2 1 330.516 3.224 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177238428 454841252 /nfs/dbraw/zinc/84/12/52/454841252.db2.gz VCOAWKSVNDWOJI-UHFFFAOYSA-N 2 1 346.519 3.310 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000125762758 454844747 /nfs/dbraw/zinc/84/47/47/454844747.db2.gz GFSPORZIXPLOHN-DLBZAZTESA-N 2 1 345.487 3.414 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cncc(F)c1 ZINC000182227955 455466996 /nfs/dbraw/zinc/46/69/96/455466996.db2.gz YDJAKQNWKLCFST-FOIQADDNSA-N 2 1 343.446 3.028 20 0 EGADMP Cc1ccc(N2CCN(Cc3ccc(-n4ccnc4)nc3)CC2)cc1C ZINC000125925820 454856574 /nfs/dbraw/zinc/85/65/74/454856574.db2.gz FSPQQVVCHWZIRW-UHFFFAOYSA-N 2 1 347.466 3.206 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(Br)s1 ZINC000154188611 454873358 /nfs/dbraw/zinc/87/33/58/454873358.db2.gz ZALWNFHMYRDDOF-NQBHXWOUSA-N 2 1 331.323 3.371 20 0 EGADMP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C1CC1 ZINC000164528696 454883966 /nfs/dbraw/zinc/88/39/66/454883966.db2.gz JYEMHNLYYRZZGM-FQEVSTJZSA-N 2 1 328.456 3.426 20 0 EGADMP Cc1ccnc(N2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)c1 ZINC000165960961 454906384 /nfs/dbraw/zinc/90/63/84/454906384.db2.gz DBQFIMIEZCKACS-UHFFFAOYSA-N 2 1 333.382 3.314 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000177838029 454912290 /nfs/dbraw/zinc/91/22/90/454912290.db2.gz FILFSDYBMQZJOK-RVKKMQEKSA-N 2 1 341.455 3.350 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)[C@H](C)C1 ZINC000177910813 454918663 /nfs/dbraw/zinc/91/86/63/454918663.db2.gz IHHQHJVGZOOIEB-RHSMWYFYSA-N 2 1 337.895 3.379 20 0 EGADMP CCC[N@H+]1CC[C@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000151114287 454939896 /nfs/dbraw/zinc/93/98/96/454939896.db2.gz KYMRWPKVBHWPDJ-LJQANCHMSA-N 2 1 347.522 3.154 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000151114287 454939898 /nfs/dbraw/zinc/93/98/98/454939898.db2.gz KYMRWPKVBHWPDJ-LJQANCHMSA-N 2 1 347.522 3.154 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000151114287 454939901 /nfs/dbraw/zinc/93/99/01/454939901.db2.gz KYMRWPKVBHWPDJ-LJQANCHMSA-N 2 1 347.522 3.154 20 0 EGADMP CCOc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OCC ZINC000154902585 454940889 /nfs/dbraw/zinc/94/08/89/454940889.db2.gz UOWJMUMEBSNYNE-BQFCYCMXSA-N 2 1 334.504 3.345 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000151165980 454947279 /nfs/dbraw/zinc/94/72/79/454947279.db2.gz MVNDBAPBVONSFK-QAPCUYQASA-N 2 1 336.907 3.318 20 0 EGADMP CC(C)C[N@@H+]1CCO[C@@H](CN[C@@H](C)c2ccc3ccccc3n2)C1 ZINC000178332849 454949664 /nfs/dbraw/zinc/94/96/64/454949664.db2.gz CUNBTAFJABJBHQ-WMZOPIPTSA-N 2 1 327.472 3.242 20 0 EGADMP CC(C)C[N@H+]1CCO[C@@H](CN[C@@H](C)c2ccc3ccccc3n2)C1 ZINC000178332849 454949670 /nfs/dbraw/zinc/94/96/70/454949670.db2.gz CUNBTAFJABJBHQ-WMZOPIPTSA-N 2 1 327.472 3.242 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000178699002 454967943 /nfs/dbraw/zinc/96/79/43/454967943.db2.gz SZSUAMHBNUIQAF-XLIONFOSSA-N 2 1 326.488 3.082 20 0 EGADMP C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000151359897 454974617 /nfs/dbraw/zinc/97/46/17/454974617.db2.gz PRKHFZLZGIUZLY-LBPRGKRZSA-N 2 1 331.287 3.491 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000151359897 454974618 /nfs/dbraw/zinc/97/46/18/454974618.db2.gz PRKHFZLZGIUZLY-LBPRGKRZSA-N 2 1 331.287 3.491 20 0 EGADMP CC(C)COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000151370247 454975628 /nfs/dbraw/zinc/97/56/28/454975628.db2.gz DDCBQCAIALOEHM-QGZVFWFLSA-N 2 1 334.504 3.219 20 0 EGADMP FC(F)(F)c1cccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000178954797 454993441 /nfs/dbraw/zinc/99/34/41/454993441.db2.gz DECWWMSTUYZVEK-LSDHHAIUSA-N 2 1 328.378 3.301 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000155789828 455046035 /nfs/dbraw/zinc/04/60/35/455046035.db2.gz MCBUPJMYCIGCKS-KRWDZBQOSA-N 2 1 331.504 3.133 20 0 EGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc2c(s1)CCCC2 ZINC000128354723 455047922 /nfs/dbraw/zinc/04/79/22/455047922.db2.gz CJFWFHRPXKXZGJ-MRXNPFEDSA-N 2 1 335.561 3.305 20 0 EGADMP CCC[C@H](CCc1ccccc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128404129 455053432 /nfs/dbraw/zinc/05/34/32/455053432.db2.gz MBOKYIWNANEECM-OAQYLSRUSA-N 2 1 331.548 3.405 20 0 EGADMP Cc1csc(N2CCC([NH2+][C@H](C)C[N@@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000151953860 455053541 /nfs/dbraw/zinc/05/35/41/455053541.db2.gz LFYJTDFLBURORD-LSDHHAIUSA-N 2 1 336.549 3.130 20 0 EGADMP Cc1csc(N2CCC([NH2+][C@H](C)C[N@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000151953860 455053543 /nfs/dbraw/zinc/05/35/43/455053543.db2.gz LFYJTDFLBURORD-LSDHHAIUSA-N 2 1 336.549 3.130 20 0 EGADMP CC(C)Oc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128500698 455062743 /nfs/dbraw/zinc/06/27/43/455062743.db2.gz DCGHZIMAKFPZOF-SFHVURJKSA-N 2 1 333.520 3.152 20 0 EGADMP C[N@H+]1CCC[C@H]2CN(Cc3cc(O)ccc3Br)CC[C@@H]21 ZINC000156095608 455081171 /nfs/dbraw/zinc/08/11/71/455081171.db2.gz KDSFDDPIQAZVCZ-LRDDRELGSA-N 2 1 339.277 3.071 20 0 EGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000156187597 455090934 /nfs/dbraw/zinc/09/09/34/455090934.db2.gz UVOIKXJJYQNXIC-WAOWUJCRSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000156187597 455090937 /nfs/dbraw/zinc/09/09/37/455090937.db2.gz UVOIKXJJYQNXIC-WAOWUJCRSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000156187597 455090940 /nfs/dbraw/zinc/09/09/40/455090940.db2.gz UVOIKXJJYQNXIC-WAOWUJCRSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000156187597 455090942 /nfs/dbraw/zinc/09/09/42/455090942.db2.gz UVOIKXJJYQNXIC-WAOWUJCRSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000156187597 455090946 /nfs/dbraw/zinc/09/09/46/455090946.db2.gz UVOIKXJJYQNXIC-WAOWUJCRSA-N 2 1 329.532 3.491 20 0 EGADMP COc1ccc(OCCC[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000156417056 455115929 /nfs/dbraw/zinc/11/59/29/455115929.db2.gz ITCMSUIJOHNJMV-APWZRJJASA-N 2 1 329.444 3.244 20 0 EGADMP COc1ccccc1[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000119197753 455131689 /nfs/dbraw/zinc/13/16/89/455131689.db2.gz AWBSGPOGXZPPBY-HOJAQTOUSA-N 2 1 345.531 3.152 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000623657043 460665332 /nfs/dbraw/zinc/66/53/32/460665332.db2.gz ISPVIAZFTJJGLB-CYBMUJFWSA-N 2 1 334.414 3.176 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2csc(C[NH3+])n2)cc1 ZINC000237351833 455176559 /nfs/dbraw/zinc/17/65/59/455176559.db2.gz WSGAMBLRENWZPQ-CYBMUJFWSA-N 2 1 344.484 3.229 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2csc(C[NH3+])n2)cc1 ZINC000237351833 455176563 /nfs/dbraw/zinc/17/65/63/455176563.db2.gz WSGAMBLRENWZPQ-CYBMUJFWSA-N 2 1 344.484 3.229 20 0 EGADMP CC(C)Cn1ncnc1CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000182849179 455177460 /nfs/dbraw/zinc/17/74/60/455177460.db2.gz RBONPDCQBLKYJJ-SFHVURJKSA-N 2 1 347.551 3.411 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180486892 455180065 /nfs/dbraw/zinc/18/00/65/455180065.db2.gz BPXAPUXBYKVUGL-KRWDZBQOSA-N 2 1 326.488 3.251 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180486892 455180072 /nfs/dbraw/zinc/18/00/72/455180072.db2.gz BPXAPUXBYKVUGL-KRWDZBQOSA-N 2 1 326.488 3.251 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(C[NH3+])o1 ZINC000237520900 455191634 /nfs/dbraw/zinc/19/16/34/455191634.db2.gz UBCYUZJDLNSHDD-HNNXBMFYSA-N 2 1 341.455 3.043 20 0 EGADMP C[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000189446710 455198269 /nfs/dbraw/zinc/19/82/69/455198269.db2.gz VVJJNPKSIALLOF-AWEZNQCLSA-N 2 1 328.287 3.256 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC000157496180 455199893 /nfs/dbraw/zinc/19/98/93/455199893.db2.gz ABFRLDXVFIOYOZ-HKUYNNGSSA-N 2 1 337.552 3.076 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC[C@H]21 ZINC000245514837 455319509 /nfs/dbraw/zinc/31/95/09/455319509.db2.gz GKIVDDMIDIWRLD-HMXCVIKNSA-N 2 1 344.499 3.161 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC[C@H]21 ZINC000245514837 455319515 /nfs/dbraw/zinc/31/95/15/455319515.db2.gz GKIVDDMIDIWRLD-HMXCVIKNSA-N 2 1 344.499 3.161 20 0 EGADMP C[C@H](c1nc(-c2cccs2)no1)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158703949 455323844 /nfs/dbraw/zinc/32/38/44/455323844.db2.gz PHVXYTSQLMKZJG-MGPQQGTHSA-N 2 1 332.473 3.275 20 0 EGADMP Cc1nc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000181412377 455330948 /nfs/dbraw/zinc/33/09/48/455330948.db2.gz STBAXMFSEQFPKI-JQFCIGGWSA-N 2 1 337.533 3.178 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)[C@@H](C)C1 ZINC000246320430 455471062 /nfs/dbraw/zinc/47/10/62/455471062.db2.gz FIEDFRFFGQTYRJ-RDJZCZTQSA-N 2 1 344.528 3.458 20 0 EGADMP Cc1cnn(CCCCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246441231 455490800 /nfs/dbraw/zinc/49/08/00/455490800.db2.gz DEOIMMUIDVPBPD-ICSRJNTNSA-N 2 1 330.520 3.311 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000191508903 455491830 /nfs/dbraw/zinc/49/18/30/455491830.db2.gz QODWYBGBEWXACM-KRWDZBQOSA-N 2 1 348.535 3.337 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000191508903 455491836 /nfs/dbraw/zinc/49/18/36/455491836.db2.gz QODWYBGBEWXACM-KRWDZBQOSA-N 2 1 348.535 3.337 20 0 EGADMP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCC1)c1ccccc1 ZINC000601007943 460674061 /nfs/dbraw/zinc/67/40/61/460674061.db2.gz SNMKWTMQOCRZAY-HKUYNNGSSA-N 2 1 343.515 3.251 20 0 EGADMP COc1ccc(COCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000606447702 460674488 /nfs/dbraw/zinc/67/44/88/460674488.db2.gz RUKXKCGPCGVIQJ-IBGZPJMESA-N 2 1 332.488 3.162 20 0 EGADMP COc1ccc(COCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000606447702 460674497 /nfs/dbraw/zinc/67/44/97/460674497.db2.gz RUKXKCGPCGVIQJ-IBGZPJMESA-N 2 1 332.488 3.162 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000246823525 455527384 /nfs/dbraw/zinc/52/73/84/455527384.db2.gz CJFRHPCFZKCOCY-ZACQAIPSSA-N 2 1 339.524 3.001 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000246879786 455532580 /nfs/dbraw/zinc/53/25/80/455532580.db2.gz GPGNCJDJTFEZJF-BRWVUGGUSA-N 2 1 339.524 3.001 20 0 EGADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000246886186 455533290 /nfs/dbraw/zinc/53/32/90/455533290.db2.gz IMTIETYFXFUOMN-VQTJNVASSA-N 2 1 343.515 3.019 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000247026087 455547059 /nfs/dbraw/zinc/54/70/59/455547059.db2.gz LYHHFDDUNZLEMJ-QZTJIDSGSA-N 3 1 333.520 3.010 20 0 EGADMP CCC[N@@H+]1CC[C@H](CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000247026087 455547064 /nfs/dbraw/zinc/54/70/64/455547064.db2.gz LYHHFDDUNZLEMJ-QZTJIDSGSA-N 2 1 333.520 3.010 20 0 EGADMP CCC[N@H+]1CC[C@H](CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000247026087 455547065 /nfs/dbraw/zinc/54/70/65/455547065.db2.gz LYHHFDDUNZLEMJ-QZTJIDSGSA-N 2 1 333.520 3.010 20 0 EGADMP CC(C)COC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000247036623 455549411 /nfs/dbraw/zinc/54/94/11/455549411.db2.gz NHJFHSQOBHIQIU-HMXCVIKNSA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000247036623 455549414 /nfs/dbraw/zinc/54/94/14/455549414.db2.gz NHJFHSQOBHIQIU-HMXCVIKNSA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000247036623 455549419 /nfs/dbraw/zinc/54/94/19/455549419.db2.gz NHJFHSQOBHIQIU-HMXCVIKNSA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000247036623 455549425 /nfs/dbraw/zinc/54/94/25/455549425.db2.gz NHJFHSQOBHIQIU-HMXCVIKNSA-N 2 1 348.531 3.005 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccc(Cl)c(F)c3)CC[C@@H]21 ZINC000192075752 455553936 /nfs/dbraw/zinc/55/39/36/455553936.db2.gz NHUPSOLBPKJTOE-GUYCJALGSA-N 2 1 326.843 3.274 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccc(Cl)c(F)c3)CC[C@@H]21 ZINC000192075752 455553941 /nfs/dbraw/zinc/55/39/41/455553941.db2.gz NHUPSOLBPKJTOE-GUYCJALGSA-N 2 1 326.843 3.274 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccc(Cl)c(F)c3)CC[C@@H]21 ZINC000192075752 455553944 /nfs/dbraw/zinc/55/39/44/455553944.db2.gz NHUPSOLBPKJTOE-GUYCJALGSA-N 2 1 326.843 3.274 20 0 EGADMP C[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000247096426 455558313 /nfs/dbraw/zinc/55/83/13/455558313.db2.gz OJINVIGAYKFHCH-YTQUADARSA-N 2 1 333.520 3.150 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000247148605 455565874 /nfs/dbraw/zinc/56/58/74/455565874.db2.gz WUEDDZBMTUUWDE-RTBURBONSA-N 3 1 347.547 3.398 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000247148605 455565878 /nfs/dbraw/zinc/56/58/78/455565878.db2.gz WUEDDZBMTUUWDE-RTBURBONSA-N 2 1 347.547 3.398 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000247148605 455565883 /nfs/dbraw/zinc/56/58/83/455565883.db2.gz WUEDDZBMTUUWDE-RTBURBONSA-N 2 1 347.547 3.398 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CCC2OCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000267961537 455570306 /nfs/dbraw/zinc/57/03/06/455570306.db2.gz SVYWHAYLTFPPSY-IEBWSBKVSA-N 2 1 332.488 3.124 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CCC2OCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000267961537 455570311 /nfs/dbraw/zinc/57/03/11/455570311.db2.gz SVYWHAYLTFPPSY-IEBWSBKVSA-N 2 1 332.488 3.124 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)CCC2OCCCO2)CC[NH+]1Cc1ccccc1 ZINC000267961537 455570316 /nfs/dbraw/zinc/57/03/16/455570316.db2.gz SVYWHAYLTFPPSY-IEBWSBKVSA-N 2 1 332.488 3.124 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)CCC2OCCCO2)CC[NH+]1Cc1ccccc1 ZINC000267961537 455570318 /nfs/dbraw/zinc/57/03/18/455570318.db2.gz SVYWHAYLTFPPSY-IEBWSBKVSA-N 2 1 332.488 3.124 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC(F)F ZINC000247189025 455571017 /nfs/dbraw/zinc/57/10/17/455571017.db2.gz VQDCLWFZTAXEBH-SGMGOOAPSA-N 2 1 328.403 3.115 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC(F)F ZINC000247189025 455571019 /nfs/dbraw/zinc/57/10/19/455571019.db2.gz VQDCLWFZTAXEBH-SGMGOOAPSA-N 2 1 328.403 3.115 20 0 EGADMP CC(C)CN(C(=O)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000185671676 455592941 /nfs/dbraw/zinc/59/29/41/455592941.db2.gz FNZYPDPJQREHHI-QZTJIDSGSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CN(C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000185671676 455592942 /nfs/dbraw/zinc/59/29/42/455592942.db2.gz FNZYPDPJQREHHI-QZTJIDSGSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CN(C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000185671676 455592945 /nfs/dbraw/zinc/59/29/45/455592945.db2.gz FNZYPDPJQREHHI-QZTJIDSGSA-N 2 1 337.552 3.122 20 0 EGADMP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc2c[nH+]cn2c1 ZINC000283797420 455595067 /nfs/dbraw/zinc/59/50/67/455595067.db2.gz GNFNEZQFGWSELS-QUCCMNQESA-N 2 1 346.434 3.091 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000185712382 455603495 /nfs/dbraw/zinc/60/34/95/455603495.db2.gz NDDABHOBQXAIPM-MSOLQXFVSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000185712382 455603499 /nfs/dbraw/zinc/60/34/99/455603499.db2.gz NDDABHOBQXAIPM-MSOLQXFVSA-N 2 1 343.515 3.485 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1F ZINC000271430838 455634657 /nfs/dbraw/zinc/63/46/57/455634657.db2.gz BAAHRRMUGZPOAU-GBESFXJTSA-N 2 1 338.442 3.383 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(OC)cc32)[C@H](C)C1 ZINC000247929148 455655733 /nfs/dbraw/zinc/65/57/33/455655733.db2.gz BWMOKAVUDOWORQ-CZAAIQMYSA-N 2 1 346.515 3.409 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000284332258 455670194 /nfs/dbraw/zinc/67/01/94/455670194.db2.gz KWDBWICVCJHGRY-UHFFFAOYSA-N 3 1 345.531 3.124 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)CC1 ZINC000192754962 455687191 /nfs/dbraw/zinc/68/71/91/455687191.db2.gz WOURDRFXTJYGOX-TZIWHRDSSA-N 2 1 329.532 3.281 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2cncc(Br)c2)C2CC2)CC[N@@H+]1C ZINC000284464280 455690674 /nfs/dbraw/zinc/69/06/74/455690674.db2.gz VIFBBJUTYFANLN-HFBAOOFYSA-N 2 1 338.293 3.368 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2cncc(Br)c2)C2CC2)CC[N@H+]1C ZINC000284464280 455690677 /nfs/dbraw/zinc/69/06/77/455690677.db2.gz VIFBBJUTYFANLN-HFBAOOFYSA-N 2 1 338.293 3.368 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccnn3C)CC2)cs1 ZINC000192853647 455707081 /nfs/dbraw/zinc/70/70/81/455707081.db2.gz WVGVUIXEYOFTTP-CQSZACIVSA-N 2 1 347.532 3.002 20 0 EGADMP COc1ccsc1[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000186187591 455712655 /nfs/dbraw/zinc/71/26/55/455712655.db2.gz BOHYIWRNWKBFSG-ZDUSSCGKSA-N 2 1 346.500 3.483 20 0 EGADMP O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000268751098 455712826 /nfs/dbraw/zinc/71/28/26/455712826.db2.gz CJMMVYGSYPIJOF-PNGGSLNGSA-N 2 1 339.483 3.036 20 0 EGADMP O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CC2 ZINC000268751098 455712835 /nfs/dbraw/zinc/71/28/35/455712835.db2.gz CJMMVYGSYPIJOF-PNGGSLNGSA-N 2 1 339.483 3.036 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)CC[N@@H+]1Cc1ccccc1 ZINC000268816838 455713804 /nfs/dbraw/zinc/71/38/04/455713804.db2.gz MTRITUPXICHTFI-YVWKXTFCSA-N 2 1 338.499 3.440 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)CC[N@H+]1Cc1ccccc1 ZINC000268816838 455713809 /nfs/dbraw/zinc/71/38/09/455713809.db2.gz MTRITUPXICHTFI-YVWKXTFCSA-N 2 1 338.499 3.440 20 0 EGADMP COc1ccsc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000186224267 455720182 /nfs/dbraw/zinc/72/01/82/455720182.db2.gz METHFWYVLLTFRA-BPUTZDHNSA-N 2 1 338.517 3.175 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000271688508 455722767 /nfs/dbraw/zinc/72/27/67/455722767.db2.gz JTVJTEOYNSZRED-MEDUHNTESA-N 2 1 331.287 3.489 20 0 EGADMP CCOc1cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc(Cl)c1OC ZINC000292691993 455732572 /nfs/dbraw/zinc/73/25/72/455732572.db2.gz BPJOJUYBDKUTSS-GOSISDBHSA-N 2 1 338.879 3.275 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000271797104 455764281 /nfs/dbraw/zinc/76/42/81/455764281.db2.gz IELLSSSBAZXJFV-UHFFFAOYSA-N 2 1 329.669 3.454 20 0 EGADMP CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000186448396 455771094 /nfs/dbraw/zinc/77/10/94/455771094.db2.gz PKZFQCRTKJIPGR-PBHICJAKSA-N 2 1 342.443 3.062 20 0 EGADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccsc1 ZINC000269068383 455781622 /nfs/dbraw/zinc/78/16/22/455781622.db2.gz WGRAFYAZGPVUJA-KFKAGJAMSA-N 2 1 330.497 3.282 20 0 EGADMP CC(=O)NC1CCC([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000271855877 455787486 /nfs/dbraw/zinc/78/74/86/455787486.db2.gz JKWXLJDDIHOUJP-UHFFFAOYSA-N 2 1 345.531 3.182 20 0 EGADMP CCC[N@@H+](CCCn1ccnc1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000269137056 455796824 /nfs/dbraw/zinc/79/68/24/455796824.db2.gz UGGAJFVFAOFLOF-MRXNPFEDSA-N 2 1 328.460 3.321 20 0 EGADMP CCC[N@H+](CCCn1cc[nH+]c1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000269137056 455796831 /nfs/dbraw/zinc/79/68/31/455796831.db2.gz UGGAJFVFAOFLOF-MRXNPFEDSA-N 2 1 328.460 3.321 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4C[C@@H]5OCCC[C@H]45)[C@@H]3C2)cc1 ZINC000253233053 455832007 /nfs/dbraw/zinc/83/20/07/455832007.db2.gz LQAXPGPFUIIMPX-PMHZBBCSSA-N 2 1 340.511 3.444 20 0 EGADMP CC(C)n1ncc2cc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cnc21 ZINC000285435931 455845217 /nfs/dbraw/zinc/84/52/17/455845217.db2.gz HZDFLOHEHFWSPG-JWTNVVGKSA-N 2 1 327.476 3.069 20 0 EGADMP CC(C)n1ncc2cc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cnc21 ZINC000285435931 455845220 /nfs/dbraw/zinc/84/52/20/455845220.db2.gz HZDFLOHEHFWSPG-JWTNVVGKSA-N 2 1 327.476 3.069 20 0 EGADMP CC(C)n1ncc2cc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cnc21 ZINC000285435931 455845225 /nfs/dbraw/zinc/84/52/25/455845225.db2.gz HZDFLOHEHFWSPG-JWTNVVGKSA-N 2 1 327.476 3.069 20 0 EGADMP CC(C)n1ncc2cc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cnc21 ZINC000285435931 455845231 /nfs/dbraw/zinc/84/52/31/455845231.db2.gz HZDFLOHEHFWSPG-JWTNVVGKSA-N 2 1 327.476 3.069 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272191924 455872138 /nfs/dbraw/zinc/87/21/38/455872138.db2.gz MKJPZFRZWMFXHV-FXAWDEMLSA-N 2 1 338.499 3.148 20 0 EGADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC2CC[NH2+]CC2)[C@H]2CCCC[C@@H]12 ZINC000261638278 455919179 /nfs/dbraw/zinc/91/91/79/455919179.db2.gz FLRSYXPZHWQLTO-HNULKUCHSA-N 2 1 349.563 3.170 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H](Cc2ccncc2)c2ccc(OC)cc2)CC1 ZINC000285813545 455921571 /nfs/dbraw/zinc/92/15/71/455921571.db2.gz VXDUUVJSGGVHGZ-NRFANRHFSA-N 2 1 339.483 3.448 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)CO2 ZINC000296444837 455940633 /nfs/dbraw/zinc/94/06/33/455940633.db2.gz MWCCPMCVFSQAPS-BQFCYCMXSA-N 2 1 344.499 3.241 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261798527 455950386 /nfs/dbraw/zinc/95/03/86/455950386.db2.gz ZTEYNGWRSAJNDC-SFHVURJKSA-N 2 1 329.488 3.213 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cnc3ccc(Cl)cn23)C[C@H]1c1ccccc1 ZINC000261821493 455953553 /nfs/dbraw/zinc/95/35/53/455953553.db2.gz XXACRIBEIXOZRE-QAPCUYQASA-N 2 1 340.858 3.162 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc3ccc(Cl)cn23)C[C@H]1c1ccccc1 ZINC000261821493 455953557 /nfs/dbraw/zinc/95/35/57/455953557.db2.gz XXACRIBEIXOZRE-QAPCUYQASA-N 2 1 340.858 3.162 20 0 EGADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000286109595 455979154 /nfs/dbraw/zinc/97/91/54/455979154.db2.gz NALQENRULUDYRT-NRFANRHFSA-N 2 1 337.467 3.226 20 0 EGADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000262075996 455993783 /nfs/dbraw/zinc/99/37/83/455993783.db2.gz AEIYQVNWPMRGTK-FRQCXROJSA-N 2 1 331.504 3.051 20 0 EGADMP COc1cccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)[NH+](C)C)c1 ZINC000262155843 456005664 /nfs/dbraw/zinc/00/56/64/456005664.db2.gz GJOSBPZCBWQYKS-NCYKPQTJSA-N 2 1 345.531 3.198 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286345245 456029114 /nfs/dbraw/zinc/02/91/14/456029114.db2.gz ZAGBCKHOVJYZHD-MSOLQXFVSA-N 2 1 341.503 3.286 20 0 EGADMP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272677532 456035582 /nfs/dbraw/zinc/03/55/82/456035582.db2.gz MFZKMMUCMDWRJZ-DIQOAJQMSA-N 2 1 348.556 3.034 20 0 EGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2ccc(C)cc2)C1 ZINC000262680532 456052098 /nfs/dbraw/zinc/05/20/98/456052098.db2.gz VWERFFTVPITBHI-AEFFLSMTSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2ccc(C)cc2)C1 ZINC000262680532 456052105 /nfs/dbraw/zinc/05/21/05/456052105.db2.gz VWERFFTVPITBHI-AEFFLSMTSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)C2=CC[NH+](C)CC2)cc1 ZINC000272757858 456061718 /nfs/dbraw/zinc/06/17/18/456061718.db2.gz FOZFWAJWYQYIDP-QGZVFWFLSA-N 2 1 343.515 3.299 20 0 EGADMP C[N@@H+]1CCC[C@H](N2CCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)C1 ZINC000301299405 456085215 /nfs/dbraw/zinc/08/52/15/456085215.db2.gz QJBFYJHWJQRASH-INIZCTEOSA-N 2 1 344.890 3.104 20 0 EGADMP C[N@H+]1CCC[C@H](N2CCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)C1 ZINC000301299405 456085217 /nfs/dbraw/zinc/08/52/17/456085217.db2.gz QJBFYJHWJQRASH-INIZCTEOSA-N 2 1 344.890 3.104 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2([S@](C)=O)CCC2)cc1 ZINC000281108263 456135729 /nfs/dbraw/zinc/13/57/29/456135729.db2.gz RKNPZCGGDWUNQX-PSLXWICFSA-N 2 1 331.485 3.133 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cscn3)CC2)oc1C ZINC000271192565 456165119 /nfs/dbraw/zinc/16/51/19/456165119.db2.gz XXLHDXKOGVZCCQ-ZDUSSCGKSA-N 2 1 334.489 3.311 20 0 EGADMP COc1cccc2c(N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cc(C)nc12 ZINC000301716418 456195237 /nfs/dbraw/zinc/19/52/37/456195237.db2.gz NFCXUOGFDXBFRQ-RDJZCZTQSA-N 2 1 325.456 3.472 20 0 EGADMP COc1cccc2c(N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc(C)[nH+]c12 ZINC000301716418 456195244 /nfs/dbraw/zinc/19/52/44/456195244.db2.gz NFCXUOGFDXBFRQ-RDJZCZTQSA-N 2 1 325.456 3.472 20 0 EGADMP COc1cccc2c(N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cc(C)[nH+]c12 ZINC000301716418 456195252 /nfs/dbraw/zinc/19/52/52/456195252.db2.gz NFCXUOGFDXBFRQ-RDJZCZTQSA-N 2 1 325.456 3.472 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189150473 456240259 /nfs/dbraw/zinc/24/02/59/456240259.db2.gz RNUHIQCEPIPLRQ-GOSISDBHSA-N 2 1 344.478 3.281 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189150473 456240264 /nfs/dbraw/zinc/24/02/64/456240264.db2.gz RNUHIQCEPIPLRQ-GOSISDBHSA-N 2 1 344.478 3.281 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189148952 456240551 /nfs/dbraw/zinc/24/05/51/456240551.db2.gz ZNIPHEZWIWOFAS-FGZHOGPDSA-N 2 1 343.559 3.261 20 0 EGADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc(OC)c1OC ZINC000237244597 456251896 /nfs/dbraw/zinc/25/18/96/456251896.db2.gz RGDGYVQTGRPQKX-CQSZACIVSA-N 2 1 336.476 3.236 20 0 EGADMP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc2c(c1)OCO2 ZINC000333899612 456273049 /nfs/dbraw/zinc/27/30/49/456273049.db2.gz ZOGWCDGLDYMYSN-PJIQEZCUSA-N 2 1 328.456 3.220 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000290311652 456286480 /nfs/dbraw/zinc/28/64/80/456286480.db2.gz ZVGLPAZKXXXPHQ-QZTJIDSGSA-N 2 1 347.503 3.358 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000290311652 456286488 /nfs/dbraw/zinc/28/64/88/456286488.db2.gz ZVGLPAZKXXXPHQ-QZTJIDSGSA-N 2 1 347.503 3.358 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)c(Br)c1 ZINC000290402210 456318243 /nfs/dbraw/zinc/31/82/43/456318243.db2.gz JMQJJKIYJYTGNV-XHDPSFHLSA-N 2 1 329.257 3.360 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)c(Br)c1 ZINC000290402210 456318248 /nfs/dbraw/zinc/31/82/48/456318248.db2.gz JMQJJKIYJYTGNV-XHDPSFHLSA-N 2 1 329.257 3.360 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(F)c(Br)c1 ZINC000290402210 456318255 /nfs/dbraw/zinc/31/82/55/456318255.db2.gz JMQJJKIYJYTGNV-XHDPSFHLSA-N 2 1 329.257 3.360 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(F)c(Br)c1 ZINC000290402210 456318260 /nfs/dbraw/zinc/31/82/60/456318260.db2.gz JMQJJKIYJYTGNV-XHDPSFHLSA-N 2 1 329.257 3.360 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2cc[nH+]cc2C(N)=O)cc1 ZINC000302214318 456319643 /nfs/dbraw/zinc/31/96/43/456319643.db2.gz IJCZXQBBSNWTSA-HNNXBMFYSA-N 2 1 338.455 3.167 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2cccs2)C[C@H]1C ZINC000342939772 456326309 /nfs/dbraw/zinc/32/63/09/456326309.db2.gz QAMZLNXOJWYJLH-ZBFHGGJFSA-N 2 1 332.517 3.453 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2cccs2)C[C@H]1C ZINC000342939772 456326315 /nfs/dbraw/zinc/32/63/15/456326315.db2.gz QAMZLNXOJWYJLH-ZBFHGGJFSA-N 2 1 332.517 3.453 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2cccs2)C[C@H]1C ZINC000342939772 456326319 /nfs/dbraw/zinc/32/63/19/456326319.db2.gz QAMZLNXOJWYJLH-ZBFHGGJFSA-N 2 1 332.517 3.453 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2cccs2)C[C@H]1C ZINC000342939772 456326325 /nfs/dbraw/zinc/32/63/25/456326325.db2.gz QAMZLNXOJWYJLH-ZBFHGGJFSA-N 2 1 332.517 3.453 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3cc[nH+]cc3C(N)=O)cc2)C1 ZINC000302241565 456327603 /nfs/dbraw/zinc/32/76/03/456327603.db2.gz XYVIUMFXVUQRID-OAHLLOKOSA-N 2 1 338.455 3.025 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNc3cc[nH+]cc3C(N)=O)cc2)C1 ZINC000302241564 456328257 /nfs/dbraw/zinc/32/82/57/456328257.db2.gz XYVIUMFXVUQRID-HNNXBMFYSA-N 2 1 338.455 3.025 20 0 EGADMP CC[N@H+]1C[C@H](NCc2ccccc2C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000347744136 456343685 /nfs/dbraw/zinc/34/36/85/456343685.db2.gz RJQQORZSXRWWCV-RXVVDRJESA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@@H+]1C[C@H](NCc2ccccc2C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000347744136 456343692 /nfs/dbraw/zinc/34/36/92/456343692.db2.gz RJQQORZSXRWWCV-RXVVDRJESA-N 2 1 329.532 3.348 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccccc1OCCOC ZINC000290529088 456353988 /nfs/dbraw/zinc/35/39/88/456353988.db2.gz QNKPAZXNKVQVBL-UHFFFAOYSA-N 2 1 345.487 3.383 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccccc1OCCOC ZINC000290529088 456353995 /nfs/dbraw/zinc/35/39/95/456353995.db2.gz QNKPAZXNKVQVBL-UHFFFAOYSA-N 2 1 345.487 3.383 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)CC1 ZINC000290530886 456354153 /nfs/dbraw/zinc/35/41/53/456354153.db2.gz QQRCPRPKPROYCB-QGZVFWFLSA-N 2 1 342.462 3.380 20 0 EGADMP C[NH+](C)Cc1cnc(CNC[C@H]2CCC[N@@H+]2C2CCCCC2)s1 ZINC000352852420 456364152 /nfs/dbraw/zinc/36/41/52/456364152.db2.gz GIWPKHXWTVTRJV-MRXNPFEDSA-N 2 1 336.549 3.091 20 0 EGADMP C[NH+](C)Cc1cnc(CNC[C@H]2CCC[N@H+]2C2CCCCC2)s1 ZINC000352852420 456364153 /nfs/dbraw/zinc/36/41/53/456364153.db2.gz GIWPKHXWTVTRJV-MRXNPFEDSA-N 2 1 336.549 3.091 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)Cn1cc[nH+]c1C(C)C)c1ccsc1 ZINC000635279687 460732347 /nfs/dbraw/zinc/73/23/47/460732347.db2.gz QGKBZRVUZVFPRH-MRXNPFEDSA-N 2 1 348.516 3.267 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340369593 456417458 /nfs/dbraw/zinc/41/74/58/456417458.db2.gz FJGMYLFCAMIFRL-TZIWHRDSSA-N 3 1 327.516 3.286 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340369593 456417462 /nfs/dbraw/zinc/41/74/62/456417462.db2.gz FJGMYLFCAMIFRL-TZIWHRDSSA-N 3 1 327.516 3.286 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298317248 456422594 /nfs/dbraw/zinc/42/25/94/456422594.db2.gz ICHRHBWEYIQBEB-UHFFFAOYSA-N 3 1 345.531 3.124 20 0 EGADMP CC[NH+](CC)CCOc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000298317248 456422604 /nfs/dbraw/zinc/42/26/04/456422604.db2.gz ICHRHBWEYIQBEB-UHFFFAOYSA-N 2 1 345.531 3.124 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]1SC ZINC000298321203 456423737 /nfs/dbraw/zinc/42/37/37/456423737.db2.gz IKILXEKNEPWPLI-GUDVDZBRSA-N 2 1 334.529 3.150 20 0 EGADMP CSC1(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000347884135 456424709 /nfs/dbraw/zinc/42/47/09/456424709.db2.gz QVXLTJPWJAPZIF-IYBDPMFKSA-N 2 1 326.550 3.093 20 0 EGADMP CC1CCN(c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cn2)CC1 ZINC000298337996 456429390 /nfs/dbraw/zinc/42/93/90/456429390.db2.gz JCAYARDYROLNHU-UHFFFAOYSA-N 2 1 328.504 3.034 20 0 EGADMP c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc(N2CCCCCC2)n1 ZINC000298366419 456436821 /nfs/dbraw/zinc/43/68/21/456436821.db2.gz KIYICPBEBBGSBF-UHFFFAOYSA-N 2 1 328.504 3.178 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]C(c2ccccc2)c2ccccc2)CC1(C)C ZINC000282194205 456440373 /nfs/dbraw/zinc/44/03/73/456440373.db2.gz GMZSQENCVWCJPJ-UHFFFAOYSA-N 2 1 337.511 3.392 20 0 EGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000298601669 456499692 /nfs/dbraw/zinc/49/96/92/456499692.db2.gz ZEVAGJPRZRSQLP-SFHVURJKSA-N 2 1 331.479 3.319 20 0 EGADMP CO[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCCC1 ZINC000657768809 462258161 /nfs/dbraw/zinc/25/81/61/462258161.db2.gz QTUODKVABMBXNS-OAQYLSRUSA-N 2 1 330.516 3.488 20 0 EGADMP Cc1nnc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000282442852 456516590 /nfs/dbraw/zinc/51/65/90/456516590.db2.gz IELHYHBFWGZXMB-KEYYUXOJSA-N 2 1 330.501 3.408 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000353206629 456559390 /nfs/dbraw/zinc/55/93/90/456559390.db2.gz WZGAOUKHUSFOPN-UHFFFAOYSA-N 2 1 334.508 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000353206629 456559395 /nfs/dbraw/zinc/55/93/95/456559395.db2.gz WZGAOUKHUSFOPN-UHFFFAOYSA-N 2 1 334.508 3.085 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NCc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000353220158 456569313 /nfs/dbraw/zinc/56/93/13/456569313.db2.gz CHBJCMKFXLCNSG-HNNXBMFYSA-N 2 1 338.565 3.120 20 0 EGADMP CCCC[NH+](C)C[C@H](C)NCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000353220158 456569314 /nfs/dbraw/zinc/56/93/14/456569314.db2.gz CHBJCMKFXLCNSG-HNNXBMFYSA-N 2 1 338.565 3.120 20 0 EGADMP CCCC[NH+](C)C[C@H](C)NCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000353220158 456569321 /nfs/dbraw/zinc/56/93/21/456569321.db2.gz CHBJCMKFXLCNSG-HNNXBMFYSA-N 2 1 338.565 3.120 20 0 EGADMP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000320302789 456628659 /nfs/dbraw/zinc/62/86/59/456628659.db2.gz KJHVBEFIKPLVMY-INIZCTEOSA-N 2 1 332.488 3.218 20 0 EGADMP CC(C)(C[NH2+]C1CCN(Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000276968409 456635525 /nfs/dbraw/zinc/63/55/25/456635525.db2.gz XKYGJKRNHDTANF-UHFFFAOYSA-N 2 1 329.532 3.363 20 0 EGADMP O[C@]1(C[NH2+][C@H]2CCC[C@H]2CCCF)CC[N@H+](Cc2ccccc2)C1 ZINC000337996640 456644612 /nfs/dbraw/zinc/64/46/12/456644612.db2.gz KVXNGFOXIQHSPR-UFYCRDLUSA-N 2 1 334.479 3.131 20 0 EGADMP O[C@]1(C[NH2+][C@H]2CCC[C@H]2CCCF)CC[N@@H+](Cc2ccccc2)C1 ZINC000337996640 456644616 /nfs/dbraw/zinc/64/46/16/456644616.db2.gz KVXNGFOXIQHSPR-UFYCRDLUSA-N 2 1 334.479 3.131 20 0 EGADMP C[C@]1(C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)CC[NH2+]C1 ZINC000340713784 456645112 /nfs/dbraw/zinc/64/51/12/456645112.db2.gz NYTATLGIYDNZJM-INIZCTEOSA-N 2 1 331.287 3.177 20 0 EGADMP C[C@]1(C[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)CC[NH2+]C1 ZINC000340713784 456645108 /nfs/dbraw/zinc/64/51/08/456645108.db2.gz NYTATLGIYDNZJM-INIZCTEOSA-N 2 1 331.287 3.177 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(-c2cnn(C)c2)c1 ZINC000282859388 456648124 /nfs/dbraw/zinc/64/81/24/456648124.db2.gz ULVIUHQJVRVMML-LJQANCHMSA-N 2 1 326.488 3.312 20 0 EGADMP CC1CC[NH+](CCC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000338192917 456695988 /nfs/dbraw/zinc/69/59/88/456695988.db2.gz IGVNFZYLPBYYMV-NRFANRHFSA-N 2 1 338.499 3.472 20 0 EGADMP CSC1(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC1 ZINC000291675075 456716505 /nfs/dbraw/zinc/71/65/05/456716505.db2.gz WQGUFDFONOEHJP-SFHVURJKSA-N 2 1 334.529 3.153 20 0 EGADMP CSC1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC1 ZINC000291675075 456716508 /nfs/dbraw/zinc/71/65/08/456716508.db2.gz WQGUFDFONOEHJP-SFHVURJKSA-N 2 1 334.529 3.153 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1O ZINC000277336280 456783066 /nfs/dbraw/zinc/78/30/66/456783066.db2.gz XUFOTNAVRWLEIC-CABCVRRESA-N 2 1 331.460 3.153 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277356766 456793896 /nfs/dbraw/zinc/79/38/96/456793896.db2.gz DYXTVQNLUTTYDS-KRWDZBQOSA-N 2 1 328.460 3.001 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277356766 456793908 /nfs/dbraw/zinc/79/39/08/456793908.db2.gz DYXTVQNLUTTYDS-KRWDZBQOSA-N 2 1 328.460 3.001 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)sc2C1 ZINC000344198790 456805988 /nfs/dbraw/zinc/80/59/88/456805988.db2.gz CKEJRWPVWJSFTJ-FSPWUOQZSA-N 2 1 349.544 3.203 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)sc2C1 ZINC000344198790 456805995 /nfs/dbraw/zinc/80/59/95/456805995.db2.gz CKEJRWPVWJSFTJ-FSPWUOQZSA-N 2 1 349.544 3.203 20 0 EGADMP CSC1(C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)CC[NH+](C)CC1 ZINC000353633365 456817691 /nfs/dbraw/zinc/81/76/91/456817691.db2.gz WXKJXMJQEMJFMW-INIZCTEOSA-N 2 1 348.491 3.055 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(C)cc1-c1ccnn1C ZINC000338434665 456817979 /nfs/dbraw/zinc/81/79/79/456817979.db2.gz HJWDHUCXQQPGHN-UHFFFAOYSA-N 2 1 337.471 3.470 20 0 EGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](C[C@H]4CCCOC4)C3)CC2)cc1 ZINC000353642191 456824234 /nfs/dbraw/zinc/82/42/34/456824234.db2.gz GUCPBWFBAZTZMS-HXUWFJFHSA-N 2 1 328.500 3.401 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000344685657 456847344 /nfs/dbraw/zinc/84/73/44/456847344.db2.gz JMDSJHHZZQMNBF-GGPKGHCWSA-N 2 1 345.531 3.164 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OCCCOC)c2)C[C@@H]1C ZINC000353768789 456898900 /nfs/dbraw/zinc/89/89/00/456898900.db2.gz PQMLZGXPRDPCBV-HKUYNNGSSA-N 2 1 334.504 3.407 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OCCCOC)c2)C[C@@H]1C ZINC000353768789 456898902 /nfs/dbraw/zinc/89/89/02/456898902.db2.gz PQMLZGXPRDPCBV-HKUYNNGSSA-N 2 1 334.504 3.407 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OCCCOC)c2)C[C@@H]1C ZINC000353768789 456898905 /nfs/dbraw/zinc/89/89/05/456898905.db2.gz PQMLZGXPRDPCBV-HKUYNNGSSA-N 2 1 334.504 3.407 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OCCCOC)c2)C[C@@H]1C ZINC000353768789 456898906 /nfs/dbraw/zinc/89/89/06/456898906.db2.gz PQMLZGXPRDPCBV-HKUYNNGSSA-N 2 1 334.504 3.407 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2ccccc2)o1 ZINC000349302490 456937597 /nfs/dbraw/zinc/93/75/97/456937597.db2.gz XBKUDHVMPQKPFR-UHFFFAOYSA-N 2 1 327.472 3.016 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000339139607 456960005 /nfs/dbraw/zinc/96/00/05/456960005.db2.gz GKFYIJULYSBBQB-IYBDPMFKSA-N 2 1 349.482 3.470 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000339139607 456960009 /nfs/dbraw/zinc/96/00/09/456960009.db2.gz GKFYIJULYSBBQB-IYBDPMFKSA-N 2 1 349.482 3.470 20 0 EGADMP CC[N@H+](CC(=O)N[C@@H](CC(C)C)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000345190394 456961385 /nfs/dbraw/zinc/96/13/85/456961385.db2.gz PCNJDIDGSDWHLR-UXHICEINSA-N 2 1 345.531 3.354 20 0 EGADMP CC[N@@H+](CC(=O)N[C@@H](CC(C)C)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000345190394 456961390 /nfs/dbraw/zinc/96/13/90/456961390.db2.gz PCNJDIDGSDWHLR-UXHICEINSA-N 2 1 345.531 3.354 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(-n3nc(C)cc3C)cc2)[C@H](C)C1 ZINC000345205325 456967021 /nfs/dbraw/zinc/96/70/21/456967021.db2.gz KACZCSNXUVPUQZ-IERDGZPVSA-N 2 1 340.515 3.352 20 0 EGADMP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C2CCC2)o1 ZINC000349522880 456981863 /nfs/dbraw/zinc/98/18/63/456981863.db2.gz VTWIZLUKZRZKIO-CMKODMSKSA-N 2 1 332.488 3.397 20 0 EGADMP CCOc1ccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000354044197 457030207 /nfs/dbraw/zinc/03/02/07/457030207.db2.gz GSGLMPZZHXBYJV-UHFFFAOYSA-N 2 1 345.531 3.076 20 0 EGADMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000356535233 457041776 /nfs/dbraw/zinc/04/17/76/457041776.db2.gz XCKCDEHLWZPUKO-RBUKOAKNSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1ccc(O)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000356535233 457041783 /nfs/dbraw/zinc/04/17/83/457041783.db2.gz XCKCDEHLWZPUKO-RBUKOAKNSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1ccc(O)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000356535233 457041786 /nfs/dbraw/zinc/04/17/86/457041786.db2.gz XCKCDEHLWZPUKO-RBUKOAKNSA-N 2 1 337.467 3.050 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(C)CCC(OC)CC2)[C@@H](C)C1 ZINC000359007334 457046832 /nfs/dbraw/zinc/04/68/32/457046832.db2.gz ZTBQBWNYLFRPPP-IQNGYNMSSA-N 2 1 340.552 3.308 20 0 EGADMP OCCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC[NH2+]C1 ZINC000339414591 457101743 /nfs/dbraw/zinc/10/17/43/457101743.db2.gz FVLREKUKSBKFEJ-CQSZACIVSA-N 2 1 331.287 3.177 20 0 EGADMP OCCC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC[NH2+]C1 ZINC000339414591 457101747 /nfs/dbraw/zinc/10/17/47/457101747.db2.gz FVLREKUKSBKFEJ-CQSZACIVSA-N 2 1 331.287 3.177 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000346692884 457114454 /nfs/dbraw/zinc/11/44/54/457114454.db2.gz JOEUTBUBWABJPZ-BEFAXECRSA-N 2 1 326.488 3.026 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@@H]21 ZINC000342141443 457132167 /nfs/dbraw/zinc/13/21/67/457132167.db2.gz VAUXSQXWSSDRMJ-HLAWJBBLSA-N 2 1 349.478 3.498 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C(C)=O)cc2)C[C@H]1C ZINC000354210413 457133421 /nfs/dbraw/zinc/13/34/21/457133421.db2.gz UAQJIQYDZNINEZ-DNVCBOLYSA-N 2 1 345.487 3.022 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C(C)=O)cc2)C[C@H]1C ZINC000354210413 457133428 /nfs/dbraw/zinc/13/34/28/457133428.db2.gz UAQJIQYDZNINEZ-DNVCBOLYSA-N 2 1 345.487 3.022 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C(C)=O)cc2)C[C@H]1C ZINC000354210413 457133434 /nfs/dbraw/zinc/13/34/34/457133434.db2.gz UAQJIQYDZNINEZ-DNVCBOLYSA-N 2 1 345.487 3.022 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C(C)=O)cc2)C[C@H]1C ZINC000354210413 457133440 /nfs/dbraw/zinc/13/34/40/457133440.db2.gz UAQJIQYDZNINEZ-DNVCBOLYSA-N 2 1 345.487 3.022 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C ZINC000354225752 457142209 /nfs/dbraw/zinc/14/22/09/457142209.db2.gz YLUPRWXLRNSYPL-YOEHRIQHSA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C ZINC000354225752 457142217 /nfs/dbraw/zinc/14/22/17/457142217.db2.gz YLUPRWXLRNSYPL-YOEHRIQHSA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C ZINC000354225752 457142223 /nfs/dbraw/zinc/14/22/23/457142223.db2.gz YLUPRWXLRNSYPL-YOEHRIQHSA-N 2 1 337.895 3.473 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000354382101 457188944 /nfs/dbraw/zinc/18/89/44/457188944.db2.gz CNSIKYZTPBMERM-AZUAARDMSA-N 2 1 345.531 3.276 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000347042758 457200326 /nfs/dbraw/zinc/20/03/26/457200326.db2.gz MBUOKMSSJUTCHC-AEFFLSMTSA-N 2 1 325.456 3.220 20 0 EGADMP CCSc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000339679315 457208760 /nfs/dbraw/zinc/20/87/60/457208760.db2.gz BJGPNOZDZRNRSW-RDJZCZTQSA-N 2 1 349.544 3.037 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000360070698 457238649 /nfs/dbraw/zinc/23/86/49/457238649.db2.gz GTJLNBRCTIZCMF-UHFFFAOYSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000354477123 457247125 /nfs/dbraw/zinc/24/71/25/457247125.db2.gz JQFWABUNLSWHNB-MJGOQNOKSA-N 2 1 331.504 3.011 20 0 EGADMP CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000354477123 457247128 /nfs/dbraw/zinc/24/71/28/457247128.db2.gz JQFWABUNLSWHNB-MJGOQNOKSA-N 2 1 331.504 3.011 20 0 EGADMP CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000354477123 457247131 /nfs/dbraw/zinc/24/71/31/457247131.db2.gz JQFWABUNLSWHNB-MJGOQNOKSA-N 2 1 331.504 3.011 20 0 EGADMP CCc1cc(OC)ccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000354507354 457262914 /nfs/dbraw/zinc/26/29/14/457262914.db2.gz VWQHCYFKXQJEBJ-YOFSQIOKSA-N 2 1 346.515 3.331 20 0 EGADMP CCc1cc(OC)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000354507354 457262918 /nfs/dbraw/zinc/26/29/18/457262918.db2.gz VWQHCYFKXQJEBJ-YOFSQIOKSA-N 2 1 346.515 3.331 20 0 EGADMP CCc1cc(OC)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000354507354 457262922 /nfs/dbraw/zinc/26/29/22/457262922.db2.gz VWQHCYFKXQJEBJ-YOFSQIOKSA-N 2 1 346.515 3.331 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000360155435 457279026 /nfs/dbraw/zinc/27/90/26/457279026.db2.gz ZHKYDUQUGNPVSB-DNVCBOLYSA-N 2 1 329.488 3.245 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000360155435 457279031 /nfs/dbraw/zinc/27/90/31/457279031.db2.gz ZHKYDUQUGNPVSB-DNVCBOLYSA-N 2 1 329.488 3.245 20 0 EGADMP COCC[NH+]1CCC([NH2+]Cc2cccc(COC(C)(C)C)c2)CC1 ZINC000360165748 457284167 /nfs/dbraw/zinc/28/41/67/457284167.db2.gz YSFCVUIYGULXJH-UHFFFAOYSA-N 2 1 334.504 3.202 20 0 EGADMP Cn1c2ccc(Cl)cc2nc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357061244 457303770 /nfs/dbraw/zinc/30/37/70/457303770.db2.gz ZVORLMWZKSVVMN-AWEZNQCLSA-N 2 1 332.879 3.048 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1)CC1CC1 ZINC000357087463 457315980 /nfs/dbraw/zinc/31/59/80/457315980.db2.gz PZLXVPNETIDDEK-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)N2CCC[C@H]2C)CC1)CC1CC1 ZINC000357091082 457317151 /nfs/dbraw/zinc/31/71/51/457317151.db2.gz WDTYSHHGHIKKOW-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000351848694 457320148 /nfs/dbraw/zinc/32/01/48/457320148.db2.gz DVAVQKQRPOONRM-HOCLYGCPSA-N 2 1 345.874 3.483 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000351848694 457320156 /nfs/dbraw/zinc/32/01/56/457320156.db2.gz DVAVQKQRPOONRM-HOCLYGCPSA-N 2 1 345.874 3.483 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000351848109 457320308 /nfs/dbraw/zinc/32/03/08/457320308.db2.gz CAGAHSOVGDEBOO-NARAOEGZSA-N 2 1 339.483 3.075 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000351848109 457320314 /nfs/dbraw/zinc/32/03/14/457320314.db2.gz CAGAHSOVGDEBOO-NARAOEGZSA-N 2 1 339.483 3.075 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+]1CCCCC1 ZINC000354811364 457320758 /nfs/dbraw/zinc/32/07/58/457320758.db2.gz MJTUXCHMLZXOBE-IYWMVGAKSA-N 2 1 349.563 3.361 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000351853937 457321199 /nfs/dbraw/zinc/32/11/99/457321199.db2.gz PSILTWKXJVARNK-DLBZAZTESA-N 2 1 335.536 3.150 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000351853937 457321213 /nfs/dbraw/zinc/32/12/13/457321213.db2.gz PSILTWKXJVARNK-DLBZAZTESA-N 2 1 335.536 3.150 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CC3 ZINC000360613790 457321304 /nfs/dbraw/zinc/32/13/04/457321304.db2.gz NBRIFCFGDXGTPV-RRFJBIMHSA-N 2 1 327.472 3.106 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC3 ZINC000360613790 457321307 /nfs/dbraw/zinc/32/13/07/457321307.db2.gz NBRIFCFGDXGTPV-RRFJBIMHSA-N 2 1 327.472 3.106 20 0 EGADMP c1cc2c(nc[nH+]c2N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)[nH]1 ZINC000360872767 457398500 /nfs/dbraw/zinc/39/85/00/457398500.db2.gz OIJBOBKBBLRRFE-HKUYNNGSSA-N 2 1 347.466 3.449 20 0 EGADMP c1cc2c(nc[nH+]c2N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)[nH]1 ZINC000360872767 457398506 /nfs/dbraw/zinc/39/85/06/457398506.db2.gz OIJBOBKBBLRRFE-HKUYNNGSSA-N 2 1 347.466 3.449 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352478089 457398910 /nfs/dbraw/zinc/39/89/10/457398910.db2.gz RYGKPGWMMPBFTA-RHSMWYFYSA-N 2 1 337.895 3.063 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352478089 457398914 /nfs/dbraw/zinc/39/89/14/457398914.db2.gz RYGKPGWMMPBFTA-RHSMWYFYSA-N 2 1 337.895 3.063 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1 ZINC000357314270 457440496 /nfs/dbraw/zinc/44/04/96/457440496.db2.gz YROSYUXVWHQHGO-GPMSIDNRSA-N 2 1 331.504 3.035 20 0 EGADMP c1ccc(COc2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2)nc1 ZINC000352533854 457444431 /nfs/dbraw/zinc/44/44/31/457444431.db2.gz AGGSVXPWKHSITE-OAQYLSRUSA-N 2 1 337.467 3.236 20 0 EGADMP c1ccc(COc2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2)nc1 ZINC000352533854 457444436 /nfs/dbraw/zinc/44/44/36/457444436.db2.gz AGGSVXPWKHSITE-OAQYLSRUSA-N 2 1 337.467 3.236 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400385218 457513804 /nfs/dbraw/zinc/51/38/04/457513804.db2.gz YBEGALRZTKCYGJ-HLLBOEOZSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400385218 457513809 /nfs/dbraw/zinc/51/38/09/457513809.db2.gz YBEGALRZTKCYGJ-HLLBOEOZSA-N 2 1 339.524 3.094 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000425359820 457517681 /nfs/dbraw/zinc/51/76/81/457517681.db2.gz SZDZQEYBTVTARF-VQTJNVASSA-N 2 1 329.532 3.171 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425359820 457517686 /nfs/dbraw/zinc/51/76/86/457517686.db2.gz SZDZQEYBTVTARF-VQTJNVASSA-N 2 1 329.532 3.171 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425359820 457517694 /nfs/dbraw/zinc/51/76/94/457517694.db2.gz SZDZQEYBTVTARF-VQTJNVASSA-N 2 1 329.532 3.171 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1OC(F)F ZINC000404419125 457543278 /nfs/dbraw/zinc/54/32/78/457543278.db2.gz HRFPIOYKTUXWSK-GXTWGEPZSA-N 2 1 328.403 3.246 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)CC[C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000425421944 457545281 /nfs/dbraw/zinc/54/52/81/457545281.db2.gz MRSDOAJPOUZFQN-LJQANCHMSA-N 2 1 332.488 3.140 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000425454890 457561563 /nfs/dbraw/zinc/56/15/63/457561563.db2.gz HAHLCNCTYRWMTK-KBXCAEBGSA-N 2 1 340.471 3.231 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1(CC)CC ZINC000352749272 457580560 /nfs/dbraw/zinc/58/05/60/457580560.db2.gz LUTDNLOQVVJIGF-HUUCEWRRSA-N 2 1 325.522 3.278 20 0 EGADMP Fc1cccc(F)c1-c1n[nH]cc1CNCc1cnc2n1CCCC2 ZINC000370262544 457603214 /nfs/dbraw/zinc/60/32/14/457603214.db2.gz RCXLLXWADDTGRQ-UHFFFAOYSA-N 2 1 343.381 3.178 20 0 EGADMP C[C@H](C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000425945723 457656634 /nfs/dbraw/zinc/65/66/34/457656634.db2.gz SETXCPWDOQBMMR-DENIHFKCSA-N 2 1 338.495 3.359 20 0 EGADMP C[C@H](C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000425945723 457656638 /nfs/dbraw/zinc/65/66/38/457656638.db2.gz SETXCPWDOQBMMR-DENIHFKCSA-N 2 1 338.495 3.359 20 0 EGADMP C[C@H](C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000425945723 457656645 /nfs/dbraw/zinc/65/66/45/457656645.db2.gz SETXCPWDOQBMMR-DENIHFKCSA-N 2 1 338.495 3.359 20 0 EGADMP C[C@H](C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000425945723 457656649 /nfs/dbraw/zinc/65/66/49/457656649.db2.gz SETXCPWDOQBMMR-DENIHFKCSA-N 2 1 338.495 3.359 20 0 EGADMP COc1sc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000361279284 457676524 /nfs/dbraw/zinc/67/65/24/457676524.db2.gz WCDXQXZLAXFXGB-MNOVXSKESA-N 2 1 345.306 3.236 20 0 EGADMP COc1sc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000361279284 457676529 /nfs/dbraw/zinc/67/65/29/457676529.db2.gz WCDXQXZLAXFXGB-MNOVXSKESA-N 2 1 345.306 3.236 20 0 EGADMP C[NH+](Cc1cc(F)cc(Br)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000361410913 457722296 /nfs/dbraw/zinc/72/22/96/457722296.db2.gz SNBFOQHDFIHGTA-LBPRGKRZSA-N 2 1 329.257 3.362 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000357785481 457688133 /nfs/dbraw/zinc/68/81/33/457688133.db2.gz CQTPZOCTCNVBSI-UWJYYQICSA-N 2 1 343.515 3.209 20 0 EGADMP COCC1(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC000361324074 457693018 /nfs/dbraw/zinc/69/30/18/457693018.db2.gz LKSUMDMFPMJGBZ-HDICACEKSA-N 2 1 338.536 3.014 20 0 EGADMP Fc1ccc(N2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c(F)c1 ZINC000370670445 457696455 /nfs/dbraw/zinc/69/64/55/457696455.db2.gz BRICGTJVKLDZKC-DLBZAZTESA-N 2 1 335.442 3.150 20 0 EGADMP Cc1csc(N2CCC([NH2+][C@H](C)C[N@@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000370676469 457697629 /nfs/dbraw/zinc/69/76/29/457697629.db2.gz LFYJTDFLBURORD-HUUCEWRRSA-N 2 1 336.549 3.130 20 0 EGADMP Cc1csc(N2CCC([NH2+][C@H](C)C[N@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000370676469 457697632 /nfs/dbraw/zinc/69/76/32/457697632.db2.gz LFYJTDFLBURORD-HUUCEWRRSA-N 2 1 336.549 3.130 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000361346249 457700958 /nfs/dbraw/zinc/70/09/58/457700958.db2.gz NBWWMPIRTDVCFQ-KRWDZBQOSA-N 2 1 345.531 3.403 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C2CC2)C2CC[NH2+]CC2)cc1)C(C)C ZINC000370785254 457718347 /nfs/dbraw/zinc/71/83/47/457718347.db2.gz DNIPCWCDNNEIJE-UHFFFAOYSA-N 2 1 343.515 3.274 20 0 EGADMP C[NH+](Cc1cc(F)cc(Br)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000361410913 457722293 /nfs/dbraw/zinc/72/22/93/457722293.db2.gz SNBFOQHDFIHGTA-LBPRGKRZSA-N 2 1 329.257 3.362 20 0 EGADMP C[N@@H+](Cc1cc(F)cc(Br)c1)C[C@H]1CCC[NH+](C)C1 ZINC000361410913 457722287 /nfs/dbraw/zinc/72/22/87/457722287.db2.gz SNBFOQHDFIHGTA-LBPRGKRZSA-N 2 1 329.257 3.362 20 0 EGADMP C[N@H+](Cc1cc(F)cc(Br)c1)C[C@H]1CCC[NH+](C)C1 ZINC000361410913 457722289 /nfs/dbraw/zinc/72/22/89/457722289.db2.gz SNBFOQHDFIHGTA-LBPRGKRZSA-N 2 1 329.257 3.362 20 0 EGADMP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374911605 457732590 /nfs/dbraw/zinc/73/25/90/457732590.db2.gz JDRNAXWIXLROCM-NTSGDEEZSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374911613 457732921 /nfs/dbraw/zinc/73/29/21/457732921.db2.gz JDRNAXWIXLROCM-ZHODDXKCSA-N 2 1 336.479 3.145 20 0 EGADMP C[NH+](C)CC1CC[NH+]([C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000365327533 457743037 /nfs/dbraw/zinc/74/30/37/457743037.db2.gz PMYZDJOCHVALES-SFHVURJKSA-N 2 1 349.906 3.109 20 0 EGADMP COc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC000426033300 457762522 /nfs/dbraw/zinc/76/25/22/457762522.db2.gz DXRAFCBABINHRA-RTBURBONSA-N 2 1 328.500 3.407 20 0 EGADMP COc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC000426033300 457762527 /nfs/dbraw/zinc/76/25/27/457762527.db2.gz DXRAFCBABINHRA-RTBURBONSA-N 2 1 328.500 3.407 20 0 EGADMP COc1cc(F)c([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000358080637 457772614 /nfs/dbraw/zinc/77/26/14/457772614.db2.gz GGZVDAFHYPZTKU-CHWSQXEVSA-N 2 1 335.423 3.335 20 0 EGADMP CCOC(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)OCC ZINC000375117206 457799071 /nfs/dbraw/zinc/79/90/71/457799071.db2.gz YXMACQPOBARYMV-UHFFFAOYSA-N 2 1 346.515 3.374 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc3ccccc3n2C(F)F)[C@H](C)C1 ZINC000358164659 457827903 /nfs/dbraw/zinc/82/79/03/457827903.db2.gz IHJWSMWHHIJHHW-KGLIPLIRSA-N 2 1 336.430 3.294 20 0 EGADMP CC(C)[N@H+]1CCc2nc(CN[C@@H](C)c3cccc(O)c3)sc2C1 ZINC000444036350 457844679 /nfs/dbraw/zinc/84/46/79/457844679.db2.gz SVUMIMVAAMMUDZ-ZDUSSCGKSA-N 2 1 331.485 3.466 20 0 EGADMP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358254454 457891777 /nfs/dbraw/zinc/89/17/77/457891777.db2.gz PQLNSKFCPWVFNU-RXVVDRJESA-N 2 1 346.515 3.162 20 0 EGADMP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000358254454 457891784 /nfs/dbraw/zinc/89/17/84/457891784.db2.gz PQLNSKFCPWVFNU-RXVVDRJESA-N 2 1 346.515 3.162 20 0 EGADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361888053 457931866 /nfs/dbraw/zinc/93/18/66/457931866.db2.gz HMAGZWOBRHAWHS-APWZRJJASA-N 2 1 330.497 3.344 20 0 EGADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361888053 457931870 /nfs/dbraw/zinc/93/18/70/457931870.db2.gz HMAGZWOBRHAWHS-APWZRJJASA-N 2 1 330.497 3.344 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC000367199231 457934386 /nfs/dbraw/zinc/93/43/86/457934386.db2.gz JBWNHYAIYMIKTO-SFHVURJKSA-N 2 1 343.515 3.438 20 0 EGADMP C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411634153 457935164 /nfs/dbraw/zinc/93/51/64/457935164.db2.gz KPGFFXWAYMEAML-GAJHUEQPSA-N 2 1 334.529 3.015 20 0 EGADMP C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411634153 457935170 /nfs/dbraw/zinc/93/51/70/457935170.db2.gz KPGFFXWAYMEAML-GAJHUEQPSA-N 2 1 334.529 3.015 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(CCO)CCCCC2)[C@@H](C)C1 ZINC000361921710 457956347 /nfs/dbraw/zinc/95/63/47/457956347.db2.gz CMVBJBYEFPNKKQ-OALUTQOASA-N 2 1 340.552 3.046 20 0 EGADMP CC[N@H+](CCC1CC[NH+](Cc2ncnn2C(C)C)CC1)CC1CC1 ZINC000434471472 458001321 /nfs/dbraw/zinc/00/13/21/458001321.db2.gz UFWKGKFZGQWFEM-UHFFFAOYSA-N 2 1 333.524 3.193 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2ncnn2C(C)C)CC1)CC1CC1 ZINC000434471472 458001328 /nfs/dbraw/zinc/00/13/28/458001328.db2.gz UFWKGKFZGQWFEM-UHFFFAOYSA-N 2 1 333.524 3.193 20 0 EGADMP C[C@@H](CC1CCOCC1)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000434643109 458027218 /nfs/dbraw/zinc/02/72/18/458027218.db2.gz AHYSGKUCDZZKOI-RXVVDRJESA-N 2 1 345.531 3.288 20 0 EGADMP C[C@@H](CC1CCOCC1)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000434643109 458027220 /nfs/dbraw/zinc/02/72/20/458027220.db2.gz AHYSGKUCDZZKOI-RXVVDRJESA-N 2 1 345.531 3.288 20 0 EGADMP C[C@@H](CC1CCOCC1)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000434643109 458027225 /nfs/dbraw/zinc/02/72/25/458027225.db2.gz AHYSGKUCDZZKOI-RXVVDRJESA-N 2 1 345.531 3.288 20 0 EGADMP C[C@@H](CC1CCOCC1)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000434643109 458027229 /nfs/dbraw/zinc/02/72/29/458027229.db2.gz AHYSGKUCDZZKOI-RXVVDRJESA-N 2 1 345.531 3.288 20 0 EGADMP Cc1cc(-c2noc([C@H](C)[N@H+]3CCC4(C3)CC[NH2+]CC4)n2)ccc1F ZINC000358498594 458040769 /nfs/dbraw/zinc/04/07/69/458040769.db2.gz CWTVTDMCSAXPOJ-AWEZNQCLSA-N 2 1 344.434 3.321 20 0 EGADMP Cc1sc(NC(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)c1C ZINC000368535302 458043732 /nfs/dbraw/zinc/04/37/32/458043732.db2.gz VPSWOECHQMPIKG-UHFFFAOYSA-N 2 1 349.544 3.420 20 0 EGADMP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1cccc(Cl)c1Cl ZINC000358507786 458046931 /nfs/dbraw/zinc/04/69/31/458046931.db2.gz LHKNUSVTBADHSS-UHFFFAOYSA-N 2 1 342.270 3.007 20 0 EGADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1cccc(Cl)c1Cl ZINC000358507786 458046939 /nfs/dbraw/zinc/04/69/39/458046939.db2.gz LHKNUSVTBADHSS-UHFFFAOYSA-N 2 1 342.270 3.007 20 0 EGADMP C[C@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@H]1[NH3+] ZINC000435373447 458124459 /nfs/dbraw/zinc/12/44/59/458124459.db2.gz NLHIIAKESLYMJJ-QFBILLFUSA-N 2 1 338.499 3.394 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@H]1[NH3+] ZINC000435373447 458124464 /nfs/dbraw/zinc/12/44/64/458124464.db2.gz NLHIIAKESLYMJJ-QFBILLFUSA-N 2 1 338.499 3.394 20 0 EGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc2ccccc2nc1N1CCCCC1 ZINC000435375216 458124704 /nfs/dbraw/zinc/12/47/04/458124704.db2.gz UCEVOBCVCGTPPT-DLBZAZTESA-N 2 1 338.499 3.394 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000435380504 458128238 /nfs/dbraw/zinc/12/82/38/458128238.db2.gz OGYNUIAHNXVVJL-WFASDCNBSA-N 2 1 332.879 3.312 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000435380689 458128786 /nfs/dbraw/zinc/12/87/86/458128786.db2.gz SUBYFTYJXHBETM-SWLSCSKDSA-N 2 1 348.441 3.327 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3OCc3cccnc3)C[C@@H]21 ZINC000435384899 458132391 /nfs/dbraw/zinc/13/23/91/458132391.db2.gz OTAVXNWYKJAZHT-YSIASYRMSA-N 2 1 337.467 3.220 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000435386137 458132729 /nfs/dbraw/zinc/13/27/29/458132729.db2.gz VIUDNFPBNXXYHG-QGZVFWFLSA-N 2 1 346.906 3.372 20 0 EGADMP COCc1cccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435388953 458134276 /nfs/dbraw/zinc/13/42/76/458134276.db2.gz IJYCSOGZCDCADJ-NRFANRHFSA-N 2 1 339.483 3.372 20 0 EGADMP COCc1cccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435388953 458134281 /nfs/dbraw/zinc/13/42/81/458134281.db2.gz IJYCSOGZCDCADJ-NRFANRHFSA-N 2 1 339.483 3.372 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000376204037 458232307 /nfs/dbraw/zinc/23/23/07/458232307.db2.gz VQMBNMSQQAJINN-GHTZIAJQSA-N 2 1 343.559 3.442 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000362521977 458243165 /nfs/dbraw/zinc/24/31/65/458243165.db2.gz ACRFCPNCVQLNCK-HDICACEKSA-N 2 1 345.531 3.236 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCN1CCc2ccccc21 ZINC000428972194 458244360 /nfs/dbraw/zinc/24/43/60/458244360.db2.gz DYGWUAVBWFBGPT-UHFFFAOYSA-N 2 1 326.488 3.220 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCN1CCc2ccccc21 ZINC000428972194 458244365 /nfs/dbraw/zinc/24/43/65/458244365.db2.gz DYGWUAVBWFBGPT-UHFFFAOYSA-N 2 1 326.488 3.220 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000428978628 458246328 /nfs/dbraw/zinc/24/63/28/458246328.db2.gz KRULSVWMWSHQBU-APWZRJJASA-N 2 1 331.504 3.036 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2OCCC(C)C)CC1 ZINC000436313549 458287630 /nfs/dbraw/zinc/28/76/30/458287630.db2.gz XDLLWZMIUHGRFT-RTBURBONSA-N 2 1 326.525 3.061 20 0 EGADMP c1ccc(CCN2CCC([NH2+]Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000459362106 458344188 /nfs/dbraw/zinc/34/41/88/458344188.db2.gz GTGPYXKQESDLBF-UHFFFAOYSA-N 2 1 336.483 3.151 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459379612 458350932 /nfs/dbraw/zinc/35/09/32/458350932.db2.gz SNIYFKWFTXVSMQ-KDURUIRLSA-N 3 1 344.547 3.398 20 0 EGADMP c1csc(C[NH+]2CCC(C[NH2+]C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000459385063 458354465 /nfs/dbraw/zinc/35/44/65/458354465.db2.gz FOZUOIDLYXKMCP-UHFFFAOYSA-N 3 1 333.545 3.177 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CC4(CCC4)C3)cc2)CC1 ZINC000448058457 458385039 /nfs/dbraw/zinc/38/50/39/458385039.db2.gz OCKUIYJTLINOQF-UHFFFAOYSA-N 2 1 327.516 3.246 20 0 EGADMP COC(=O)[C@H](NCCCCn1cc[nH+]c1C)c1cc(C)cc(C)c1 ZINC000459614709 458428046 /nfs/dbraw/zinc/42/80/46/458428046.db2.gz WODMCFDQZHJVNR-GOSISDBHSA-N 2 1 329.444 3.092 20 0 EGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCC[C@H]3CCC[N@@H+](C)C3)ccc21 ZINC000459627897 458431278 /nfs/dbraw/zinc/43/12/78/458431278.db2.gz YCDANVJGBDPCME-DNVCBOLYSA-N 2 1 344.503 3.089 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423436746 458432091 /nfs/dbraw/zinc/43/20/91/458432091.db2.gz UAZMGLPAXDITTI-MSOLQXFVSA-N 2 1 331.504 3.093 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]([NH3+])C2CCC2)c1 ZINC000423440444 458433883 /nfs/dbraw/zinc/43/38/83/458433883.db2.gz XGWVAGFUMZWWJB-LJQANCHMSA-N 2 1 331.504 3.052 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000423442606 458433954 /nfs/dbraw/zinc/43/39/54/458433954.db2.gz ZHRPHNYBISDYSI-DLBZAZTESA-N 2 1 339.483 3.347 20 0 EGADMP [NH3+]C1(CN[C@@H]2CCCc3occc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423550262 458455981 /nfs/dbraw/zinc/45/59/81/458455981.db2.gz FOJMVZJUTPHMIG-LJQANCHMSA-N 2 1 339.483 3.240 20 0 EGADMP COc1ccc(Br)cc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459725966 458458109 /nfs/dbraw/zinc/45/81/09/458458109.db2.gz FTXXYEYLTJGLQQ-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP Cc1nn2c(C[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)c(C(C)C)nc2s1 ZINC000459724405 458458583 /nfs/dbraw/zinc/45/85/83/458458583.db2.gz DKCSPJDQIXTGSV-AWEZNQCLSA-N 2 1 335.521 3.044 20 0 EGADMP COc1cccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1OC(F)F ZINC000459732724 458460225 /nfs/dbraw/zinc/46/02/25/458460225.db2.gz MQLAVWUYPCNORR-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000459738362 458463117 /nfs/dbraw/zinc/46/31/17/458463117.db2.gz RQSOZMMHQZGYBD-HNNXBMFYSA-N 2 1 332.879 3.347 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000459780949 458477622 /nfs/dbraw/zinc/47/76/22/458477622.db2.gz MAQZTJQINMNTLI-HLAWJBBLSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000459780949 458477626 /nfs/dbraw/zinc/47/76/26/458477626.db2.gz MAQZTJQINMNTLI-HLAWJBBLSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000459780949 458477628 /nfs/dbraw/zinc/47/76/28/458477628.db2.gz MAQZTJQINMNTLI-HLAWJBBLSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459780949 458477631 /nfs/dbraw/zinc/47/76/31/458477631.db2.gz MAQZTJQINMNTLI-HLAWJBBLSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459780949 458477633 /nfs/dbraw/zinc/47/76/33/458477633.db2.gz MAQZTJQINMNTLI-HLAWJBBLSA-N 3 1 329.532 3.361 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000459800220 458483005 /nfs/dbraw/zinc/48/30/05/458483005.db2.gz ZIHIJZUGCAGNQW-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP Fc1cc(Cl)ccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000437718108 458485845 /nfs/dbraw/zinc/48/58/45/458485845.db2.gz OXCJTRMWHZGJFX-UHFFFAOYSA-N 2 1 340.870 3.413 20 0 EGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000430965877 458511411 /nfs/dbraw/zinc/51/14/11/458511411.db2.gz LQLZEJQJYVNDSE-GOSISDBHSA-N 2 1 328.431 3.446 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000430965877 458511416 /nfs/dbraw/zinc/51/14/16/458511416.db2.gz LQLZEJQJYVNDSE-GOSISDBHSA-N 2 1 328.431 3.446 20 0 EGADMP CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423912524 458511807 /nfs/dbraw/zinc/51/18/07/458511807.db2.gz WDWCUNUXCLQBGS-HSALFYBXSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000460380177 458514931 /nfs/dbraw/zinc/51/49/31/458514931.db2.gz LWFZIEVIVGNNJQ-GSEOLPGOSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@H]([NH2+]C1CC(N2CCCCC2)C1)c1cccc(N2CCOC2=O)c1 ZINC000373525021 458518064 /nfs/dbraw/zinc/51/80/64/458518064.db2.gz WTJZNXTYFOERRF-DMKPSLHHSA-N 2 1 343.471 3.311 20 0 EGADMP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(N2CCOC2=O)c1 ZINC000373525021 458518069 /nfs/dbraw/zinc/51/80/69/458518069.db2.gz WTJZNXTYFOERRF-DMKPSLHHSA-N 2 1 343.471 3.311 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424159385 458574325 /nfs/dbraw/zinc/57/43/25/458574325.db2.gz SLPLDTQFONGVEK-RTBURBONSA-N 2 1 337.552 3.301 20 0 EGADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[NH+](C)C)cc1 ZINC000438555723 458598402 /nfs/dbraw/zinc/59/84/02/458598402.db2.gz RMOUWZRERYCFLD-VQTJNVASSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(OC[C@H]3CCCO3)cc1)CC[NH2+]CC2 ZINC000424282670 458602317 /nfs/dbraw/zinc/60/23/17/458602317.db2.gz AACXMPUKEQNHTF-FXAWDEMLSA-N 2 1 344.499 3.208 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424285173 458603394 /nfs/dbraw/zinc/60/33/94/458603394.db2.gz FKECGLMGBIQFFB-MRXNPFEDSA-N 2 1 329.488 3.213 20 0 EGADMP CCOc1c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)nn1CC(C)C ZINC000424375876 458627968 /nfs/dbraw/zinc/62/79/68/458627968.db2.gz KJCRDUYAWIWUBR-MRXNPFEDSA-N 2 1 348.535 3.210 20 0 EGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000546574352 458640471 /nfs/dbraw/zinc/64/04/71/458640471.db2.gz OWKOEPZNAVGEEE-PMACEKPBSA-N 2 1 344.886 3.280 20 0 EGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000546574352 458640477 /nfs/dbraw/zinc/64/04/77/458640477.db2.gz OWKOEPZNAVGEEE-PMACEKPBSA-N 2 1 344.886 3.280 20 0 EGADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000456361141 458646068 /nfs/dbraw/zinc/64/60/68/458646068.db2.gz VPGFKWLDNSQVJC-LJQANCHMSA-N 2 1 343.515 3.227 20 0 EGADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000456361141 458646076 /nfs/dbraw/zinc/64/60/76/458646076.db2.gz VPGFKWLDNSQVJC-LJQANCHMSA-N 2 1 343.515 3.227 20 0 EGADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000456361141 458646083 /nfs/dbraw/zinc/64/60/83/458646083.db2.gz VPGFKWLDNSQVJC-LJQANCHMSA-N 2 1 343.515 3.227 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]CC2CCC(C(F)(F)F)CC2)CCCO1 ZINC000432351174 458721236 /nfs/dbraw/zinc/72/12/36/458721236.db2.gz JRXICCJYAQCDOP-QQFBHYJXSA-N 2 1 336.442 3.446 20 0 EGADMP Cc1cc2[nH]c(C[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)cc2c(C)c1 ZINC000432352147 458721581 /nfs/dbraw/zinc/72/15/81/458721581.db2.gz WAGPLCFIPRDFTC-QGZVFWFLSA-N 2 1 329.488 3.375 20 0 EGADMP Fc1cccc(Cl)c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530237306 458727725 /nfs/dbraw/zinc/72/77/25/458727725.db2.gz DDLGTXKMSLHBMX-CQSZACIVSA-N 2 1 326.843 3.070 20 0 EGADMP Cc1noc(C)c1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471839630 458740305 /nfs/dbraw/zinc/74/03/05/458740305.db2.gz YLZOMHYUGWYVMG-QUCCMNQESA-N 2 1 327.472 3.464 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)C1CCCCC1 ZINC000547733457 458781896 /nfs/dbraw/zinc/78/18/96/458781896.db2.gz ZULGSCUMYCHEPJ-IBGZPJMESA-N 2 1 335.536 3.118 20 0 EGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([N@@H+](C)CCCNC(=O)C2CCC2)CC1 ZINC000432800876 458790392 /nfs/dbraw/zinc/79/03/92/458790392.db2.gz RNTJHQASIDIRFY-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@H](CNC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000547832145 458802255 /nfs/dbraw/zinc/80/22/55/458802255.db2.gz LHZDHOJPCWFUOR-JOCHJYFZSA-N 2 1 341.543 3.361 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)cc1 ZINC000440937433 458868984 /nfs/dbraw/zinc/86/89/84/458868984.db2.gz PIMDESLBUGRMHM-APWZRJJASA-N 2 1 343.515 3.274 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000440937433 458868990 /nfs/dbraw/zinc/86/89/90/458868990.db2.gz PIMDESLBUGRMHM-APWZRJJASA-N 2 1 343.515 3.274 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000440937433 458868993 /nfs/dbraw/zinc/86/89/93/458868993.db2.gz PIMDESLBUGRMHM-APWZRJJASA-N 2 1 343.515 3.274 20 0 EGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000474730412 458899424 /nfs/dbraw/zinc/89/94/24/458899424.db2.gz IAERFXWEJHJPDE-PCCBWWKXSA-N 2 1 330.516 3.346 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000474882046 458904425 /nfs/dbraw/zinc/90/44/25/458904425.db2.gz XUGAZSUCALAYJO-HKUYNNGSSA-N 2 1 346.515 3.466 20 0 EGADMP CCC[C@H]1CCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475101132 458918516 /nfs/dbraw/zinc/91/85/16/458918516.db2.gz MFNGZVMXRXRQSS-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP C[C@@H](CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000519304105 458932333 /nfs/dbraw/zinc/93/23/33/458932333.db2.gz HCUITHXHZUFILR-SIKLNZKXSA-N 2 1 338.495 3.407 20 0 EGADMP C[C@@H](CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000519304105 458932340 /nfs/dbraw/zinc/93/23/40/458932340.db2.gz HCUITHXHZUFILR-SIKLNZKXSA-N 2 1 338.495 3.407 20 0 EGADMP C[C@@H](C[NH+]1CCC(C)CC1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000566499829 458949535 /nfs/dbraw/zinc/94/95/35/458949535.db2.gz DRNDCTKCDRAKPP-HNNXBMFYSA-N 2 1 335.458 3.113 20 0 EGADMP CC(C)(C)c1ncc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)s1 ZINC000519646861 458980921 /nfs/dbraw/zinc/98/09/21/458980921.db2.gz JBLSEXXKQWPWJE-HNNXBMFYSA-N 2 1 337.533 3.127 20 0 EGADMP CC(C)(C)c1ncc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)s1 ZINC000519646861 458980927 /nfs/dbraw/zinc/98/09/27/458980927.db2.gz JBLSEXXKQWPWJE-HNNXBMFYSA-N 2 1 337.533 3.127 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000495876063 458989039 /nfs/dbraw/zinc/98/90/39/458989039.db2.gz NBRYTCUKCHMVQU-WBVHZDCISA-N 2 1 339.524 3.238 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000566863619 459012580 /nfs/dbraw/zinc/01/25/80/459012580.db2.gz DPFOJGFHDVBKBN-MRXNPFEDSA-N 2 1 337.895 3.453 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000566863619 459012588 /nfs/dbraw/zinc/01/25/88/459012588.db2.gz DPFOJGFHDVBKBN-MRXNPFEDSA-N 2 1 337.895 3.453 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)oc1C ZINC000577339412 459018000 /nfs/dbraw/zinc/01/80/00/459018000.db2.gz HUEOPIZZESCKLJ-ZSBFGKGUSA-N 2 1 335.492 3.049 20 0 EGADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556891679 459027865 /nfs/dbraw/zinc/02/78/65/459027865.db2.gz FEOOABNRAJHRRY-SQEGATDGSA-N 2 1 330.516 3.426 20 0 EGADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556891677 459028722 /nfs/dbraw/zinc/02/87/22/459028722.db2.gz FEOOABNRAJHRRY-JZTRKIHISA-N 2 1 330.516 3.426 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000442751621 459030602 /nfs/dbraw/zinc/03/06/02/459030602.db2.gz CNPLVEWLMJVYOS-LLGFUMIMSA-N 2 1 343.515 3.093 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000442751621 459030606 /nfs/dbraw/zinc/03/06/06/459030606.db2.gz CNPLVEWLMJVYOS-LLGFUMIMSA-N 2 1 343.515 3.093 20 0 EGADMP C[N@@H+](CCOc1ccc(OC(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442761390 459033065 /nfs/dbraw/zinc/03/30/65/459033065.db2.gz PZWPDTYJSOTTLY-PBWFPOADSA-N 2 1 344.377 3.179 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccc2ccccc2c1 ZINC000442794424 459037017 /nfs/dbraw/zinc/03/70/17/459037017.db2.gz TVGOVCAGRZIKIT-QZWWFDLISA-N 2 1 339.483 3.075 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccc2ccccc2c1 ZINC000442794424 459037021 /nfs/dbraw/zinc/03/70/21/459037021.db2.gz TVGOVCAGRZIKIT-QZWWFDLISA-N 2 1 339.483 3.075 20 0 EGADMP Cc1cc(Cl)ccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000532191664 459044454 /nfs/dbraw/zinc/04/44/54/459044454.db2.gz DPZSQWUMPWZPEO-UHFFFAOYSA-N 2 1 344.846 3.048 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCC[C@H]2c2ccccc2)CC1(C)C ZINC000442878702 459050248 /nfs/dbraw/zinc/05/02/48/459050248.db2.gz ULUJKNJPUXRQQT-PMACEKPBSA-N 2 1 329.532 3.328 20 0 EGADMP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496124991 459075817 /nfs/dbraw/zinc/07/58/17/459075817.db2.gz QUONLAKZLVNOMK-JKSUJKDBSA-N 2 1 339.524 3.286 20 0 EGADMP Cc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@H](CC[NH3+])C3)n2)cc1F ZINC000443057380 459079281 /nfs/dbraw/zinc/07/92/81/459079281.db2.gz GNMNCKLMIHGMKM-UONOGXRCSA-N 2 1 332.423 3.306 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000443064249 459081538 /nfs/dbraw/zinc/08/15/38/459081538.db2.gz XTJPASAZNRUFQL-QGZVFWFLSA-N 2 1 337.467 3.500 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@H](CN)c1ccc3ccccc3c1)CO2 ZINC000577740073 459086233 /nfs/dbraw/zinc/08/62/33/459086233.db2.gz AUULPKGJVZGOMF-TZIWHRDSSA-N 2 1 348.446 3.442 20 0 EGADMP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1Cl ZINC000532505497 459102409 /nfs/dbraw/zinc/10/24/09/459102409.db2.gz LVKVDOVTYLWEIH-HOCLYGCPSA-N 2 1 340.895 3.236 20 0 EGADMP CC(C)[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(F)ccc1F ZINC000479053997 459120684 /nfs/dbraw/zinc/12/06/84/459120684.db2.gz CLNOGKZVLJKMEG-IBGZPJMESA-N 2 1 339.474 3.279 20 0 EGADMP Brc1cccc2c1C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000578249874 459170576 /nfs/dbraw/zinc/17/05/76/459170576.db2.gz DNZCLVCIHLVXIV-ZFWWWQNUSA-N 2 1 349.316 3.380 20 0 EGADMP C[C@@H](NCCC[NH+]1CCC(C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480161955 459185687 /nfs/dbraw/zinc/18/56/87/459185687.db2.gz KLSWWWUFWRYAIL-LJQANCHMSA-N 2 1 347.547 3.400 20 0 EGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000480701977 459214129 /nfs/dbraw/zinc/21/41/29/459214129.db2.gz VOZXXECGMGBTSY-MSOLQXFVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000480701977 459214131 /nfs/dbraw/zinc/21/41/31/459214131.db2.gz VOZXXECGMGBTSY-MSOLQXFVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000480701977 459214135 /nfs/dbraw/zinc/21/41/35/459214135.db2.gz VOZXXECGMGBTSY-MSOLQXFVSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1F ZINC000590786590 459218444 /nfs/dbraw/zinc/21/84/44/459218444.db2.gz GSYDGOKWQMPALG-UHFFFAOYSA-N 2 1 335.467 3.125 20 0 EGADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1F ZINC000590786590 459218450 /nfs/dbraw/zinc/21/84/50/459218450.db2.gz GSYDGOKWQMPALG-UHFFFAOYSA-N 2 1 335.467 3.125 20 0 EGADMP C[C@@H](N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000481153636 459236292 /nfs/dbraw/zinc/23/62/92/459236292.db2.gz JOCKFZAWVBIYEE-CEXWTWQISA-N 2 1 347.547 3.398 20 0 EGADMP C[C@@H](N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000481153636 459236293 /nfs/dbraw/zinc/23/62/93/459236293.db2.gz JOCKFZAWVBIYEE-CEXWTWQISA-N 2 1 347.547 3.398 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC000595081311 459239941 /nfs/dbraw/zinc/23/99/41/459239941.db2.gz RKDDITMMHNLCCD-SFNKJDCFSA-N 2 1 336.520 3.351 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC000595081311 459239946 /nfs/dbraw/zinc/23/99/46/459239946.db2.gz RKDDITMMHNLCCD-SFNKJDCFSA-N 2 1 336.520 3.351 20 0 EGADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCC1CCCCC1 ZINC000522546539 459247646 /nfs/dbraw/zinc/24/76/46/459247646.db2.gz SEZRGHJGWAOXGB-NVXWUHKLSA-N 2 1 325.541 3.027 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000533866378 459274819 /nfs/dbraw/zinc/27/48/19/459274819.db2.gz CEZZERRQGMYGND-INIZCTEOSA-N 2 1 340.471 3.280 20 0 EGADMP Cc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)ccc1-n1cncn1 ZINC000534347146 459319620 /nfs/dbraw/zinc/31/96/20/459319620.db2.gz HWFCGTJCMRVETD-UHFFFAOYSA-N 2 1 341.503 3.128 20 0 EGADMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000560460447 459351035 /nfs/dbraw/zinc/35/10/35/459351035.db2.gz MHYBRKINUNQZPT-IBGZPJMESA-N 2 1 335.923 3.249 20 0 EGADMP C[NH+](C)CCCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000560521311 459364736 /nfs/dbraw/zinc/36/47/36/459364736.db2.gz BNYSKHLXRZFFJU-QHAWAJNXSA-N 2 1 329.532 3.219 20 0 EGADMP C[NH+](C)CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000560521311 459364739 /nfs/dbraw/zinc/36/47/39/459364739.db2.gz BNYSKHLXRZFFJU-QHAWAJNXSA-N 3 1 329.532 3.219 20 0 EGADMP C[NH+](C)CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000560521311 459364744 /nfs/dbraw/zinc/36/47/44/459364744.db2.gz BNYSKHLXRZFFJU-QHAWAJNXSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1cccc(Br)c1 ZINC000483817470 459395055 /nfs/dbraw/zinc/39/50/55/459395055.db2.gz KLESMMOBDARPGW-GZBFAFLISA-N 2 1 341.293 3.289 20 0 EGADMP CSC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000569110983 459398512 /nfs/dbraw/zinc/39/85/12/459398512.db2.gz LRYKNNHCICSORF-LJQANCHMSA-N 2 1 336.545 3.265 20 0 EGADMP CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(C[NH+](CC)C(C)C)cc1 ZINC000561614722 459469129 /nfs/dbraw/zinc/46/91/29/459469129.db2.gz IIIDQPONCKBBJS-LJQANCHMSA-N 2 1 331.504 3.083 20 0 EGADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C[NH+](CC)C(C)C)cc1 ZINC000561614722 459469133 /nfs/dbraw/zinc/46/91/33/459469133.db2.gz IIIDQPONCKBBJS-LJQANCHMSA-N 2 1 331.504 3.083 20 0 EGADMP CC[C@@H]1C[NH+](C)CCN1C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000561614722 459469139 /nfs/dbraw/zinc/46/91/39/459469139.db2.gz IIIDQPONCKBBJS-LJQANCHMSA-N 2 1 331.504 3.083 20 0 EGADMP CC[C@@H]1C[NH+](C)CCN1C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000561614722 459469143 /nfs/dbraw/zinc/46/91/43/459469143.db2.gz IIIDQPONCKBBJS-LJQANCHMSA-N 2 1 331.504 3.083 20 0 EGADMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)ccc1OC(F)F ZINC000583071855 459476748 /nfs/dbraw/zinc/47/67/48/459476748.db2.gz VYBFBMYCZKDJRK-JSGCOSHPSA-N 2 1 328.403 3.117 20 0 EGADMP C[C@@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000583078373 459478485 /nfs/dbraw/zinc/47/84/85/459478485.db2.gz YPQMCMGWXOKKKI-IEBWSBKVSA-N 2 1 338.499 3.447 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497221611 459492507 /nfs/dbraw/zinc/49/25/07/459492507.db2.gz NBRYTCUKCHMVQU-NVXWUHKLSA-N 2 1 339.524 3.238 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497238478 459498246 /nfs/dbraw/zinc/49/82/46/459498246.db2.gz YJQIKPRTLJGXKM-GVDBMIGSSA-N 2 1 339.524 3.096 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000497303449 459522211 /nfs/dbraw/zinc/52/22/11/459522211.db2.gz AYWYOXQYLWMWRX-ZACQAIPSSA-N 2 1 339.524 3.144 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc4cc[nH]c4c3)cc2)CC1 ZINC000527640072 459681753 /nfs/dbraw/zinc/68/17/53/459681753.db2.gz BDBVJRTVWIHBBZ-UHFFFAOYSA-N 2 1 348.494 3.205 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCCCC[NH2+]3)cc2)C1 ZINC000573805821 459739356 /nfs/dbraw/zinc/73/93/56/459739356.db2.gz QDNPDRSKAQYPNZ-YLJYHZDGSA-N 2 1 343.515 3.067 20 0 EGADMP O[C@H](CNc1nccc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000527841380 459756330 /nfs/dbraw/zinc/75/63/30/459756330.db2.gz HMYRMUVRVPABCQ-LJQANCHMSA-N 2 1 333.435 3.066 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527855652 459759963 /nfs/dbraw/zinc/75/99/63/459759963.db2.gz VOOBZHSQTXIHGL-KRWDZBQOSA-N 2 1 326.843 3.167 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC45CC(C4)CO5)[C@@H]3C2)cc1 ZINC000527982001 459787249 /nfs/dbraw/zinc/78/72/49/459787249.db2.gz PQJXLJMOBODBHJ-ZLVKKYOXSA-N 2 1 340.511 3.446 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC45CC(C4)CO5)[C@H]3C2)cc1 ZINC000527981999 459787952 /nfs/dbraw/zinc/78/79/52/459787952.db2.gz PQJXLJMOBODBHJ-QETREINWSA-N 2 1 340.511 3.446 20 0 EGADMP C[C@H](NCc1n[nH]c(C2CC[NH2+]CC2)n1)c1ccccc1C(C)(C)C ZINC000566103651 459804934 /nfs/dbraw/zinc/80/49/34/459804934.db2.gz DSEQMIZVRIMQNH-AWEZNQCLSA-N 2 1 341.503 3.420 20 0 EGADMP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccccc1C(C)(C)C ZINC000566103651 459804940 /nfs/dbraw/zinc/80/49/40/459804940.db2.gz DSEQMIZVRIMQNH-AWEZNQCLSA-N 2 1 341.503 3.420 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000566174837 459818647 /nfs/dbraw/zinc/81/86/47/459818647.db2.gz BDFDCVCTUDTKKJ-XWSJACJDSA-N 2 1 335.536 3.007 20 0 EGADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1F ZINC000597060918 459829009 /nfs/dbraw/zinc/82/90/09/459829009.db2.gz MNCCSSCYMRVJJM-UHFFFAOYSA-N 2 1 348.462 3.499 20 0 EGADMP Cn1ncc2ccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)cc21 ZINC000575053942 459916879 /nfs/dbraw/zinc/91/68/79/459916879.db2.gz ZGMBUAUHGTWDGR-UHFFFAOYSA-N 2 1 348.494 3.370 20 0 EGADMP c1cnc(Oc2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)cn1 ZINC000575850676 460016596 /nfs/dbraw/zinc/01/65/96/460016596.db2.gz NSMWUNCMNXDDCX-IEBWSBKVSA-N 2 1 338.455 3.233 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccccc2)CC1 ZINC000576390098 460131491 /nfs/dbraw/zinc/13/14/91/460131491.db2.gz HCGHPKYVTCOPPW-AVRDEDQJSA-N 2 1 338.495 3.405 20 0 EGADMP COC(=O)CC1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000599046966 460139701 /nfs/dbraw/zinc/13/97/01/460139701.db2.gz UXAUZJOEWNGETL-SKINQDTJSA-N 2 1 344.499 3.220 20 0 EGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000576615884 460179155 /nfs/dbraw/zinc/17/91/55/460179155.db2.gz KYBGJICAQWBRQD-CVEARBPZSA-N 2 1 340.458 3.376 20 0 EGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000576615884 460179159 /nfs/dbraw/zinc/17/91/59/460179159.db2.gz KYBGJICAQWBRQD-CVEARBPZSA-N 2 1 340.458 3.376 20 0 EGADMP C/C(=C/c1ccccc1)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000611276386 460327209 /nfs/dbraw/zinc/32/72/09/460327209.db2.gz NDVKAFHRJMYFPF-SACXWWFQSA-N 2 1 327.516 3.190 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)N1CCCCCC1 ZINC000626062453 460358240 /nfs/dbraw/zinc/35/82/40/460358240.db2.gz SOGHXRIOMXIUBK-SFHVURJKSA-N 2 1 345.531 3.361 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000611497758 460378324 /nfs/dbraw/zinc/37/83/24/460378324.db2.gz RCLYNIZGDIIVBI-KRWDZBQOSA-N 2 1 332.488 3.462 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000611497758 460378327 /nfs/dbraw/zinc/37/83/27/460378327.db2.gz RCLYNIZGDIIVBI-KRWDZBQOSA-N 2 1 332.488 3.462 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1C ZINC000600111550 460385826 /nfs/dbraw/zinc/38/58/26/460385826.db2.gz KGBLXRWZEXGMDY-UHFFFAOYSA-N 2 1 335.492 3.113 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1C ZINC000600111550 460385830 /nfs/dbraw/zinc/38/58/30/460385830.db2.gz KGBLXRWZEXGMDY-UHFFFAOYSA-N 2 1 335.492 3.113 20 0 EGADMP COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000631575510 460452829 /nfs/dbraw/zinc/45/28/29/460452829.db2.gz MOWIGOBJVLLBCS-YOEHRIQHSA-N 2 1 329.444 3.340 20 0 EGADMP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000631582299 460455826 /nfs/dbraw/zinc/45/58/26/460455826.db2.gz ZWJSJUOOZAWDIS-HKUYNNGSSA-N 2 1 343.515 3.316 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCOC(C)(C)C3)cc2)C[C@H](C)O1 ZINC000634677864 460471698 /nfs/dbraw/zinc/47/16/98/460471698.db2.gz AUWDVAMCUMFOOA-FUHIMQAGSA-N 2 1 346.515 3.343 20 0 EGADMP Cc1csc(C(C)(C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000604771536 460477047 /nfs/dbraw/zinc/47/70/47/460477047.db2.gz KHTDMUYQNMQNFR-UHFFFAOYSA-N 2 1 333.501 3.417 20 0 EGADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)C(C)(C)C ZINC000604774234 460477425 /nfs/dbraw/zinc/47/74/25/460477425.db2.gz KFYGEBQPUHTLAN-QZTJIDSGSA-N 2 1 331.504 3.138 20 0 EGADMP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000631626451 460477991 /nfs/dbraw/zinc/47/79/91/460477991.db2.gz XNFYOAPAIOAEJQ-KRWDZBQOSA-N 2 1 342.531 3.105 20 0 EGADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634711354 460488946 /nfs/dbraw/zinc/48/89/46/460488946.db2.gz NJKUHNZLZCHCSH-IAGOWNOFSA-N 2 1 344.421 3.190 20 0 EGADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634711354 460488948 /nfs/dbraw/zinc/48/89/48/460488948.db2.gz NJKUHNZLZCHCSH-IAGOWNOFSA-N 2 1 344.421 3.190 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631664496 460498189 /nfs/dbraw/zinc/49/81/89/460498189.db2.gz NZDGXNAXYWQTNC-GGPKGHCWSA-N 2 1 326.488 3.019 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H](NC3CC[NH+](C(C)(C)C)CC3)C2)cc1 ZINC000631748531 460544369 /nfs/dbraw/zinc/54/43/69/460544369.db2.gz HITXCNBKLDDONK-FQEVSTJZSA-N 2 1 329.532 3.422 20 0 EGADMP Cc1ccc(CN2CC[C@H]([NH2+]C3CC[NH+](C(C)(C)C)CC3)C2)cc1 ZINC000631748531 460544374 /nfs/dbraw/zinc/54/43/74/460544374.db2.gz HITXCNBKLDDONK-FQEVSTJZSA-N 2 1 329.532 3.422 20 0 EGADMP CC1(C)CCc2ccccc2[C@H]([NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000629550874 460803965 /nfs/dbraw/zinc/80/39/65/460803965.db2.gz PNTSISRPOYPGHD-PKOBYXMFSA-N 2 1 339.487 3.006 20 0 EGADMP C[NH2+]CCC[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000629547785 460804608 /nfs/dbraw/zinc/80/46/08/460804608.db2.gz FZJSNRBZGGGXQR-AWEZNQCLSA-N 2 1 329.307 3.225 20 0 EGADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000621109269 460895570 /nfs/dbraw/zinc/89/55/70/460895570.db2.gz SEVBVKQZPUJDIL-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+](CC2CC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000621109269 460895576 /nfs/dbraw/zinc/89/55/76/460895576.db2.gz SEVBVKQZPUJDIL-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+](CC2CC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000621109269 460895580 /nfs/dbraw/zinc/89/55/80/460895580.db2.gz SEVBVKQZPUJDIL-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCCCCC1)C1CCC1 ZINC000629960494 460977323 /nfs/dbraw/zinc/97/73/23/460977323.db2.gz MAAMRJWKKFSMDH-UHFFFAOYSA-N 2 1 343.515 3.163 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000621331740 460991789 /nfs/dbraw/zinc/99/17/89/460991789.db2.gz MBLKZXFGENSVGG-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000621331740 460991797 /nfs/dbraw/zinc/99/17/97/460991797.db2.gz MBLKZXFGENSVGG-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]CCc2cccc(C(F)(F)F)c2)CCCO1 ZINC000628253241 461062728 /nfs/dbraw/zinc/06/27/28/461062728.db2.gz YSQPECAEFJFERJ-HNNXBMFYSA-N 2 1 344.421 3.338 20 0 EGADMP c1[nH]nc2cccc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)c12 ZINC000628255149 461063702 /nfs/dbraw/zinc/06/37/02/461063702.db2.gz DFBHQEKGFNLIQW-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP c1[nH]nc2cccc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c12 ZINC000628255149 461063708 /nfs/dbraw/zinc/06/37/08/461063708.db2.gz DFBHQEKGFNLIQW-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP c1[nH]nc2cccc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c12 ZINC000628255149 461063712 /nfs/dbraw/zinc/06/37/12/461063712.db2.gz DFBHQEKGFNLIQW-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000633375293 461063792 /nfs/dbraw/zinc/06/37/92/461063792.db2.gz JWJYLOWNACTPQF-GOSISDBHSA-N 2 1 345.487 3.102 20 0 EGADMP Cc1ccc([C@H](C)C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000628278841 461069765 /nfs/dbraw/zinc/06/97/65/461069765.db2.gz JRMDRSXIPZGVDY-WIYYLYMNSA-N 2 1 329.532 3.199 20 0 EGADMP O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652336783 461138101 /nfs/dbraw/zinc/13/81/01/461138101.db2.gz AHYYCJHPXZOAKF-IBGZPJMESA-N 2 1 349.478 3.183 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc2ccncc2s1 ZINC000668160235 461144973 /nfs/dbraw/zinc/14/49/73/461144973.db2.gz WRPBBRHWBUBZAZ-KRWDZBQOSA-N 2 1 346.544 3.144 20 0 EGADMP C[C@H]1CCC[N@H+](CC(=O)Nc2cccc3ccccc32)[C@@H]1CC[NH3+] ZINC000652353559 461146286 /nfs/dbraw/zinc/14/62/86/461146286.db2.gz QPCNLEAYEGKPRD-HNAYVOBHSA-N 2 1 325.456 3.228 20 0 EGADMP C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc3ccccc32)[C@@H]1CC[NH3+] ZINC000652353559 461146294 /nfs/dbraw/zinc/14/62/94/461146294.db2.gz QPCNLEAYEGKPRD-HNAYVOBHSA-N 2 1 325.456 3.228 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)[C@H]1CC[NH3+] ZINC000652354738 461149049 /nfs/dbraw/zinc/14/90/49/461149049.db2.gz GWSJHSTXZFMCFI-CJNGLKHVSA-N 2 1 348.878 3.382 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ncc(-c3cccs3)o2)C1 ZINC000652362527 461154394 /nfs/dbraw/zinc/15/43/94/461154394.db2.gz JCRDYJIFJXUMOT-KFWWJZLASA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ncc(-c3cccs3)o2)C1 ZINC000652362527 461154399 /nfs/dbraw/zinc/15/43/99/461154399.db2.gz JCRDYJIFJXUMOT-KFWWJZLASA-N 2 1 347.484 3.264 20 0 EGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c2ccccc2n1 ZINC000652363064 461158291 /nfs/dbraw/zinc/15/82/91/461158291.db2.gz XDKBLYFLGGZLEX-UIFIKXQLSA-N 2 1 339.483 3.404 20 0 EGADMP c1ccc(CC[C@@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662277535 461164021 /nfs/dbraw/zinc/16/40/21/461164021.db2.gz RCZLLSXBOXQDNO-OAQYLSRUSA-N 2 1 336.479 3.166 20 0 EGADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295339 461173695 /nfs/dbraw/zinc/17/36/95/461173695.db2.gz QGPUGZSSPQDLQF-IBGZPJMESA-N 2 1 344.499 3.500 20 0 EGADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297755 461176271 /nfs/dbraw/zinc/17/62/71/461176271.db2.gz RNXIJHRSVOONSP-HKUYNNGSSA-N 2 1 343.515 3.342 20 0 EGADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312826 461185007 /nfs/dbraw/zinc/18/50/07/461185007.db2.gz FVFMELLTHPEXAP-GPMSIDNRSA-N 2 1 349.494 3.185 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000662317675 461190861 /nfs/dbraw/zinc/19/08/61/461190861.db2.gz ZFDMMOOMSGIJGF-QWFCFKBJSA-N 2 1 332.488 3.019 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000659247453 461247500 /nfs/dbraw/zinc/24/75/00/461247500.db2.gz XQWVNYBGNROGBQ-BSIFCXSSSA-N 2 1 349.478 3.173 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c(Cl)cc1O ZINC000638173338 461285913 /nfs/dbraw/zinc/28/59/13/461285913.db2.gz WGIZKNQLSIWGCV-IUODEOHRSA-N 2 1 335.835 3.334 20 0 EGADMP COc1cc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)c(Cl)cc1O ZINC000638173338 461285917 /nfs/dbraw/zinc/28/59/17/461285917.db2.gz WGIZKNQLSIWGCV-IUODEOHRSA-N 2 1 335.835 3.334 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2[NH2+]CCC2(C)C)cc1 ZINC000662675405 461344173 /nfs/dbraw/zinc/34/41/73/461344173.db2.gz MWYYZIVWMZERCM-CRAIPNDOSA-N 2 1 329.488 3.388 20 0 EGADMP C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000649782714 461350233 /nfs/dbraw/zinc/35/02/33/461350233.db2.gz QIYMIAMFBYFUBY-NXHRZFHOSA-N 2 1 346.519 3.322 20 0 EGADMP c1ccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCCC2)cc1 ZINC000655685444 461361358 /nfs/dbraw/zinc/36/13/58/461361358.db2.gz DGJGHNOLFOLDKU-FQEVSTJZSA-N 2 1 328.500 3.341 20 0 EGADMP c1ccc(SCCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655690275 461364355 /nfs/dbraw/zinc/36/43/55/461364355.db2.gz KKLDCPBMYTUXDJ-GOSISDBHSA-N 2 1 334.529 3.402 20 0 EGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)COCc1ccccc1 ZINC000655701344 461372097 /nfs/dbraw/zinc/37/20/97/461372097.db2.gz SGWODBXJWBSZPE-GHTZIAJQSA-N 2 1 346.515 3.072 20 0 EGADMP Cc1csc(CCCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000655708459 461377901 /nfs/dbraw/zinc/37/79/01/461377901.db2.gz PWIRJMRNFJFGBI-QGZVFWFLSA-N 2 1 337.533 3.007 20 0 EGADMP Cc1cccc(C)c1OC[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655706992 461378090 /nfs/dbraw/zinc/37/80/90/461378090.db2.gz QDMCVVNRMUPADD-UYAOXDASSA-N 2 1 346.515 3.304 20 0 EGADMP CCc1cccc2c(CC[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c[nH]c21 ZINC000655711427 461380568 /nfs/dbraw/zinc/38/05/68/461380568.db2.gz JAKGIGMUTIKYFZ-IBGZPJMESA-N 2 1 341.499 3.116 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000641805182 461381191 /nfs/dbraw/zinc/38/11/91/461381191.db2.gz MZLBOGLHVBQTDP-HJIKLVIJSA-N 2 1 330.259 3.036 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000641806983 461382753 /nfs/dbraw/zinc/38/27/53/461382753.db2.gz TUJQQVPEWAWKLU-GDIGMMSISA-N 2 1 337.467 3.396 20 0 EGADMP FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655720726 461389659 /nfs/dbraw/zinc/38/96/59/461389659.db2.gz DWQGCJUGQYLUQB-FMKPAKJESA-N 2 1 334.426 3.198 20 0 EGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000655721301 461390945 /nfs/dbraw/zinc/39/09/45/461390945.db2.gz MVFZWJFMUJXVOC-SFHVURJKSA-N 2 1 326.488 3.309 20 0 EGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000655721301 461390949 /nfs/dbraw/zinc/39/09/49/461390949.db2.gz MVFZWJFMUJXVOC-SFHVURJKSA-N 2 1 326.488 3.309 20 0 EGADMP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655724963 461393148 /nfs/dbraw/zinc/39/31/48/461393148.db2.gz MGNFWYQGKIDSGA-QXAKKESOSA-N 2 1 338.536 3.061 20 0 EGADMP CC(C)c1ccccc1OCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655726564 461395735 /nfs/dbraw/zinc/39/57/35/461395735.db2.gz BFAQUDQBUIPNKI-SFHVURJKSA-N 2 1 332.488 3.032 20 0 EGADMP c1ccc(CC2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000655734725 461402679 /nfs/dbraw/zinc/40/26/79/461402679.db2.gz NIFLNTVNJMXTLL-HXUWFJFHSA-N 2 1 328.500 3.242 20 0 EGADMP CCC(CC)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000655753324 461421034 /nfs/dbraw/zinc/42/10/34/461421034.db2.gz XGODPRDOWJPFSN-ZCNNSNEGSA-N 2 1 338.536 3.203 20 0 EGADMP CN(c1ccccc1C[N@@H+](C)CC1=CCSC1)C1CC[NH+](C)CC1 ZINC000668775258 461429229 /nfs/dbraw/zinc/42/92/29/461429229.db2.gz SIEGNPYCYWNRIT-UHFFFAOYSA-N 2 1 345.556 3.322 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)CN(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858630 461459217 /nfs/dbraw/zinc/45/92/17/461459217.db2.gz XMCHNUSNUMGSRI-CJNGLKHVSA-N 2 1 332.410 3.399 20 0 EGADMP C[C@@H](Cc1ccccn1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000655839695 461490299 /nfs/dbraw/zinc/49/02/99/461490299.db2.gz YNIGEMUPAZAXLN-KRWDZBQOSA-N 2 1 341.474 3.448 20 0 EGADMP CC(C)CNC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000659927710 461502042 /nfs/dbraw/zinc/50/20/42/461502042.db2.gz HVINRUDSDAOIRG-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CNC(=O)CCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000659927710 461502052 /nfs/dbraw/zinc/50/20/52/461502052.db2.gz HVINRUDSDAOIRG-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CNC(=O)CCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000659927710 461502060 /nfs/dbraw/zinc/50/20/60/461502060.db2.gz HVINRUDSDAOIRG-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP Cn1cc(CCC[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000638670800 461526512 /nfs/dbraw/zinc/52/65/12/461526512.db2.gz LAJAOEACJSKNSF-SJLPKXTDSA-N 2 1 332.517 3.087 20 0 EGADMP Cn1cc(CCC[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000638670800 461526516 /nfs/dbraw/zinc/52/65/16/461526516.db2.gz LAJAOEACJSKNSF-SJLPKXTDSA-N 2 1 332.517 3.087 20 0 EGADMP CC[N@@H+](CCCNC(=O)c1ccccc1CC[NH2+]C)C1CCCCC1 ZINC000653200874 461555605 /nfs/dbraw/zinc/55/56/05/461555605.db2.gz SIUZNCJLPJRRAC-UHFFFAOYSA-N 2 1 345.531 3.223 20 0 EGADMP CC(C)CNC(=O)CCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000660074621 461571798 /nfs/dbraw/zinc/57/17/98/461571798.db2.gz RRTPHWROPBYIET-UHFFFAOYSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)CNC(=O)CCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000660074621 461571804 /nfs/dbraw/zinc/57/18/04/461571804.db2.gz RRTPHWROPBYIET-UHFFFAOYSA-N 2 1 345.531 3.135 20 0 EGADMP Cc1ccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c(OCC2CC2)c1 ZINC000638773706 461572845 /nfs/dbraw/zinc/57/28/45/461572845.db2.gz NYOVDBUBSMIXFG-UHFFFAOYSA-N 2 1 346.515 3.109 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000663347073 461576747 /nfs/dbraw/zinc/57/67/47/461576747.db2.gz ZCINKIYLZBWBTN-BVYCBKJFSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000663347073 461576752 /nfs/dbraw/zinc/57/67/52/461576752.db2.gz ZCINKIYLZBWBTN-BVYCBKJFSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000663347073 461576757 /nfs/dbraw/zinc/57/67/57/461576757.db2.gz ZCINKIYLZBWBTN-BVYCBKJFSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CN1Cc1ccccc1 ZINC000663347073 461576765 /nfs/dbraw/zinc/57/67/65/461576765.db2.gz ZCINKIYLZBWBTN-BVYCBKJFSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CN1Cc1ccccc1 ZINC000663347073 461576773 /nfs/dbraw/zinc/57/67/73/461576773.db2.gz ZCINKIYLZBWBTN-BVYCBKJFSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000663346251 461578340 /nfs/dbraw/zinc/57/83/40/461578340.db2.gz RPSALUFRWBZMQT-COPCDDAFSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346251 461578348 /nfs/dbraw/zinc/57/83/48/461578348.db2.gz RPSALUFRWBZMQT-COPCDDAFSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346251 461578355 /nfs/dbraw/zinc/57/83/55/461578355.db2.gz RPSALUFRWBZMQT-COPCDDAFSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346251 461578366 /nfs/dbraw/zinc/57/83/66/461578366.db2.gz RPSALUFRWBZMQT-COPCDDAFSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346251 461578376 /nfs/dbraw/zinc/57/83/76/461578376.db2.gz RPSALUFRWBZMQT-COPCDDAFSA-N 2 1 341.543 3.219 20 0 EGADMP Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663347693 461580170 /nfs/dbraw/zinc/58/01/70/461580170.db2.gz SLULFNXTNIOHDC-MRXNPFEDSA-N 2 1 342.462 3.427 20 0 EGADMP Cc1nnsc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000638796562 461582977 /nfs/dbraw/zinc/58/29/77/461582977.db2.gz KXDKKDCOYDKJRR-RHSMWYFYSA-N 2 1 330.501 3.237 20 0 EGADMP CCN1CC[NH+](Cc2ccc(CNc3[nH+]ccc4[nH]ccc43)cc2)CC1 ZINC000663390628 461611177 /nfs/dbraw/zinc/61/11/77/461611177.db2.gz RAFKWUDBVOMWGI-UHFFFAOYSA-N 2 1 349.482 3.313 20 0 EGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000647290017 461615770 /nfs/dbraw/zinc/61/57/70/461615770.db2.gz SPVWBYKNARSVGI-SJLPKXTDSA-N 2 1 338.442 3.037 20 0 EGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000647290017 461615781 /nfs/dbraw/zinc/61/57/81/461615781.db2.gz SPVWBYKNARSVGI-SJLPKXTDSA-N 2 1 338.442 3.037 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]CCNc3ccccn3)CC[N@@H+]2C2CC2)cc1 ZINC000638870464 461630640 /nfs/dbraw/zinc/63/06/40/461630640.db2.gz QQRNSSUDEAJWJB-QUCCMNQESA-N 2 1 336.483 3.451 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]CCNc3ccccn3)CC[N@H+]2C2CC2)cc1 ZINC000638870464 461630645 /nfs/dbraw/zinc/63/06/45/461630645.db2.gz QQRNSSUDEAJWJB-QUCCMNQESA-N 2 1 336.483 3.451 20 0 EGADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467557 461658263 /nfs/dbraw/zinc/65/82/63/461658263.db2.gz GRVKEEICENCYCH-VQIMIIECSA-N 2 1 344.499 3.448 20 0 EGADMP CCn1nccc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000663471741 461662713 /nfs/dbraw/zinc/66/27/13/461662713.db2.gz WKFLCPLIDYCILW-CEWLAPEOSA-N 2 1 338.499 3.293 20 0 EGADMP C[C@@H]1C[N@@H+]([C@H](CNc2[nH+]ccc3[nH]ccc32)c2cccs2)CCO1 ZINC000663562394 461705705 /nfs/dbraw/zinc/70/57/05/461705705.db2.gz HQVJPPPLYDHTQA-CZUORRHYSA-N 2 1 342.468 3.498 20 0 EGADMP C[C@@H]1C[N@H+]([C@H](CNc2[nH+]ccc3[nH]ccc32)c2cccs2)CCO1 ZINC000663562394 461705711 /nfs/dbraw/zinc/70/57/11/461705711.db2.gz HQVJPPPLYDHTQA-CZUORRHYSA-N 2 1 342.468 3.498 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@@H+](C)C[C@@H]1CCc3nccn3C1)CC2 ZINC000639076645 461710806 /nfs/dbraw/zinc/71/08/06/461710806.db2.gz GWVBPRZLCPJDLT-YOEHRIQHSA-N 2 1 341.455 3.082 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@H+](C)C[C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC000639076645 461710813 /nfs/dbraw/zinc/71/08/13/461710813.db2.gz GWVBPRZLCPJDLT-YOEHRIQHSA-N 2 1 341.455 3.082 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@@H+](C)C[C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC000639076645 461710822 /nfs/dbraw/zinc/71/08/22/461710822.db2.gz GWVBPRZLCPJDLT-YOEHRIQHSA-N 2 1 341.455 3.082 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1)c1c[nH+]ccc1N ZINC000643453288 461729853 /nfs/dbraw/zinc/72/98/53/461729853.db2.gz YSHQGUBSYRHMII-ZIAGYGMSSA-N 2 1 330.863 3.325 20 0 EGADMP COc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC000643451996 461730284 /nfs/dbraw/zinc/73/02/84/461730284.db2.gz LKTCGTYFLPRSLP-QRVBRYPASA-N 2 1 338.451 3.082 20 0 EGADMP COc1cccc2c1OC[C@H]([NH2+][C@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC000643451995 461731163 /nfs/dbraw/zinc/73/11/63/461731163.db2.gz LKTCGTYFLPRSLP-OTWHNJEPSA-N 2 1 338.451 3.082 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000643455469 461733048 /nfs/dbraw/zinc/73/30/48/461733048.db2.gz JUXSDBPEUZUJIW-IVMMDQJWSA-N 2 1 327.394 3.014 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000647496813 461735255 /nfs/dbraw/zinc/73/52/55/461735255.db2.gz UXZQBOPKLSAUGY-ZBFHGGJFSA-N 2 1 338.455 3.393 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@H]1[NH3+] ZINC000647498315 461736771 /nfs/dbraw/zinc/73/67/71/461736771.db2.gz FDOWXRFETBYTEJ-FXAWDEMLSA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@H](C)Oc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1OC ZINC000647511766 461741341 /nfs/dbraw/zinc/74/13/41/461741341.db2.gz AYIUHBISYGHLNR-DKIMLUQUSA-N 2 1 332.488 3.432 20 0 EGADMP C[C@H](N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CCC[NH2+]1 ZINC000643480206 461741587 /nfs/dbraw/zinc/74/15/87/461741587.db2.gz FTOPEMDQMNLFQY-KTIPNOMGSA-N 2 1 327.516 3.017 20 0 EGADMP c1ccc([C@@H]2C[C@H](NCC[N@H+]3CC=CCC3)CC[NH+]2C2CC2)cc1 ZINC000639123480 461742424 /nfs/dbraw/zinc/74/24/24/461742424.db2.gz LGYTWCSXAIPDLV-CTNGQTDRSA-N 2 1 325.500 3.206 20 0 EGADMP c1ccc([C@@H]2C[C@H](NCC[N@@H+]3CC=CCC3)CC[NH+]2C2CC2)cc1 ZINC000639123480 461742432 /nfs/dbraw/zinc/74/24/32/461742432.db2.gz LGYTWCSXAIPDLV-CTNGQTDRSA-N 2 1 325.500 3.206 20 0 EGADMP c1ccc([C@@H]2C[C@H](NCC[NH+]3CC=CCC3)CC[N@@H+]2C2CC2)cc1 ZINC000639123480 461742440 /nfs/dbraw/zinc/74/24/40/461742440.db2.gz LGYTWCSXAIPDLV-CTNGQTDRSA-N 2 1 325.500 3.206 20 0 EGADMP c1ccc([C@@H]2C[C@H](NCC[NH+]3CC=CCC3)CC[N@H+]2C2CC2)cc1 ZINC000639123480 461742448 /nfs/dbraw/zinc/74/24/48/461742448.db2.gz LGYTWCSXAIPDLV-CTNGQTDRSA-N 2 1 325.500 3.206 20 0 EGADMP OC[C@H](CC1CCC1)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639123577 461743319 /nfs/dbraw/zinc/74/33/19/461743319.db2.gz NENQTUMNWQAYKI-ZJOUEHCJSA-N 2 1 328.500 3.495 20 0 EGADMP OC[C@H](CC1CCC1)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639123577 461743326 /nfs/dbraw/zinc/74/33/26/461743326.db2.gz NENQTUMNWQAYKI-ZJOUEHCJSA-N 2 1 328.500 3.495 20 0 EGADMP c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543366 461756023 /nfs/dbraw/zinc/75/60/23/461756023.db2.gz LWIOYUUOJZUVKD-NHCUHLMSSA-N 2 1 338.499 3.143 20 0 EGADMP Fc1ccc(-n2nccc2C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647542966 461757447 /nfs/dbraw/zinc/75/74/47/461757447.db2.gz FKWOCUBEIOVNNG-IAGOWNOFSA-N 2 1 342.462 3.223 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@@H+](C)C[C@H]1CCn3ccnc3C1)CC2 ZINC000639178433 461785442 /nfs/dbraw/zinc/78/54/42/461785442.db2.gz IPUYFTZXHXZMHR-WMLDXEAASA-N 2 1 341.455 3.082 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+](C)C[C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000639178433 461785448 /nfs/dbraw/zinc/78/54/48/461785448.db2.gz IPUYFTZXHXZMHR-WMLDXEAASA-N 2 1 341.455 3.082 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@@H+](C)C[C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000639178433 461785455 /nfs/dbraw/zinc/78/54/55/461785455.db2.gz IPUYFTZXHXZMHR-WMLDXEAASA-N 2 1 341.455 3.082 20 0 EGADMP C[N@@H+](CCC[NH3+])CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000647848188 461857324 /nfs/dbraw/zinc/85/73/24/461857324.db2.gz JTJTZMRYKYFOFZ-UHFFFAOYSA-N 2 1 327.428 3.088 20 0 EGADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)CC1CC1 ZINC000639322236 461860234 /nfs/dbraw/zinc/86/02/34/461860234.db2.gz TZCNXYZLCHQNJI-FBBABVLZSA-N 2 1 328.500 3.353 20 0 EGADMP OC[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)CC1CC1 ZINC000639322236 461860237 /nfs/dbraw/zinc/86/02/37/461860237.db2.gz TZCNXYZLCHQNJI-FBBABVLZSA-N 2 1 328.500 3.353 20 0 EGADMP CCC[N@H+]1CC[C@H](N[C@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639329137 461863340 /nfs/dbraw/zinc/86/33/40/461863340.db2.gz GTJNCNUIFNMPNF-ZJOUEHCJSA-N 2 1 327.516 3.428 20 0 EGADMP CCC[NH+]1CC[C@H](N[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639329137 461863345 /nfs/dbraw/zinc/86/33/45/461863345.db2.gz GTJNCNUIFNMPNF-ZJOUEHCJSA-N 2 1 327.516 3.428 20 0 EGADMP CCC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639329137 461863353 /nfs/dbraw/zinc/86/33/53/461863353.db2.gz GTJNCNUIFNMPNF-ZJOUEHCJSA-N 2 1 327.516 3.428 20 0 EGADMP c1cc2c(cc1[C@@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1)OCCO2 ZINC000647872604 461865302 /nfs/dbraw/zinc/86/53/02/461865302.db2.gz GCYVJDFNTPZOIE-SFHVURJKSA-N 2 1 330.472 3.375 20 0 EGADMP C[N@@H+](CCCC1CC[NH2+]CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000647883965 461869617 /nfs/dbraw/zinc/86/96/17/461869617.db2.gz OKQMXFMEUAZYRG-UHFFFAOYSA-N 2 1 343.515 3.003 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000660621368 461883914 /nfs/dbraw/zinc/88/39/14/461883914.db2.gz MJBXPSXNHYDBLV-RDJZCZTQSA-N 2 1 342.936 3.208 20 0 EGADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784710 461894236 /nfs/dbraw/zinc/89/42/36/461894236.db2.gz GDMCYWYNMJDYRE-KRWDZBQOSA-N 2 1 325.456 3.152 20 0 EGADMP CCCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650705986 461898938 /nfs/dbraw/zinc/89/89/38/461898938.db2.gz BLTKNFIEKFQFNI-NSHGMRRFSA-N 2 1 332.488 3.194 20 0 EGADMP CC(C)(C)c1ncc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650706326 461899169 /nfs/dbraw/zinc/89/91/69/461899169.db2.gz IUCMASZUXZZYJQ-SQWLQELKSA-N 2 1 337.533 3.159 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cnn(Cc3ccccc3Cl)c1)C2 ZINC000650708503 461901796 /nfs/dbraw/zinc/90/17/96/461901796.db2.gz AVLHPOWJRLKOQU-HKUYNNGSSA-N 2 1 344.890 3.146 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cnn(Cc3ccccc3Cl)c1)C2 ZINC000650708503 461901804 /nfs/dbraw/zinc/90/18/04/461901804.db2.gz AVLHPOWJRLKOQU-HKUYNNGSSA-N 2 1 344.890 3.146 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C2 ZINC000650708840 461903096 /nfs/dbraw/zinc/90/30/96/461903096.db2.gz QDHCPBGWOZZACF-HOCLYGCPSA-N 2 1 328.378 3.189 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998329 461905769 /nfs/dbraw/zinc/90/57/69/461905769.db2.gz NXRNEBYYSCQLAY-KRWDZBQOSA-N 2 1 342.462 3.393 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000647960637 461909328 /nfs/dbraw/zinc/90/93/28/461909328.db2.gz AYGDBGGZQUCSFC-IRLDBZIGSA-N 2 1 338.495 3.335 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000647960637 461909332 /nfs/dbraw/zinc/90/93/32/461909332.db2.gz AYGDBGGZQUCSFC-IRLDBZIGSA-N 2 1 338.495 3.335 20 0 EGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000647960637 461909338 /nfs/dbraw/zinc/90/93/38/461909338.db2.gz AYGDBGGZQUCSFC-IRLDBZIGSA-N 2 1 338.495 3.335 20 0 EGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000647960637 461909343 /nfs/dbraw/zinc/90/93/43/461909343.db2.gz AYGDBGGZQUCSFC-IRLDBZIGSA-N 2 1 338.495 3.335 20 0 EGADMP COc1ccccc1/C=C\C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723078 461914442 /nfs/dbraw/zinc/91/44/42/461914442.db2.gz HFRGMAMEENWQQW-BUXSFFBPSA-N 2 1 330.472 3.069 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)c(F)c2)C1 ZINC000650723425 461915112 /nfs/dbraw/zinc/91/51/12/461915112.db2.gz NPGHWSIEPQESHN-COXVUDFISA-N 2 1 326.843 3.340 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000650723901 461916652 /nfs/dbraw/zinc/91/66/52/461916652.db2.gz VRCNEKOUQPZEDR-NZSAHSFTSA-N 2 1 341.455 3.202 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc3cnccc3c2)C1 ZINC000650723944 461916880 /nfs/dbraw/zinc/91/68/80/461916880.db2.gz WDDFGUIFBYPSHS-AQNXPRMDSA-N 2 1 325.456 3.096 20 0 EGADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976179 461919561 /nfs/dbraw/zinc/91/95/61/461919561.db2.gz LGJDQACPZHTQQK-OAGGEKHMSA-N 2 1 349.906 3.379 20 0 EGADMP Cc1ccccc1-c1nc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)no1 ZINC000647977703 461920919 /nfs/dbraw/zinc/92/09/19/461920919.db2.gz GMMFHRLCZLUEGQ-IRXDYDNUSA-N 2 1 340.471 3.257 20 0 EGADMP Cc1ccccc1-c1nc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)no1 ZINC000647977703 461920924 /nfs/dbraw/zinc/92/09/24/461920924.db2.gz GMMFHRLCZLUEGQ-IRXDYDNUSA-N 2 1 340.471 3.257 20 0 EGADMP Cc1ccc(C)c(OCCC[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)c1 ZINC000660692891 461927187 /nfs/dbraw/zinc/92/71/87/461927187.db2.gz SPPFNCKINFQTNG-UHFFFAOYSA-N 2 1 348.531 3.145 20 0 EGADMP COc1cc2ccccc2cc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071983 461968129 /nfs/dbraw/zinc/96/81/29/461968129.db2.gz FNOKHOXWQRLVRH-UHFFFAOYSA-N 2 1 340.467 3.145 20 0 EGADMP COc1cc2ccccc2cc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071983 461968131 /nfs/dbraw/zinc/96/81/31/461968131.db2.gz FNOKHOXWQRLVRH-UHFFFAOYSA-N 2 1 340.467 3.145 20 0 EGADMP Cc1c(Br)cncc1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000657317069 462040570 /nfs/dbraw/zinc/04/05/70/462040570.db2.gz OZAACLBHIGEAHZ-ZDUSSCGKSA-N 2 1 340.309 3.364 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000657334250 462052361 /nfs/dbraw/zinc/05/23/61/462052361.db2.gz RNALULDLPOVOOI-INIZCTEOSA-N 2 1 332.488 3.207 20 0 EGADMP c1nc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)oc1-c1ccccc1 ZINC000639682571 462055325 /nfs/dbraw/zinc/05/53/25/462055325.db2.gz YQLQGTCGFAARTA-UHFFFAOYSA-N 2 1 334.423 3.449 20 0 EGADMP CCCn1nccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000657337824 462056814 /nfs/dbraw/zinc/05/68/14/462056814.db2.gz CACSJGSOVAOOCC-INIZCTEOSA-N 2 1 332.517 3.356 20 0 EGADMP CCCn1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000657337824 462056822 /nfs/dbraw/zinc/05/68/22/462056822.db2.gz CACSJGSOVAOOCC-INIZCTEOSA-N 2 1 332.517 3.356 20 0 EGADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CCO1 ZINC000648413183 462107219 /nfs/dbraw/zinc/10/72/19/462107219.db2.gz DXGFPICZVAABLO-HRQSHJORSA-N 2 1 346.515 3.343 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cnc3n2CCC3)C[N@H+]1Cc1ccccc1 ZINC000657414569 462107388 /nfs/dbraw/zinc/10/73/88/462107388.db2.gz BSUWQIZXWVSUQN-MJGOQNOKSA-N 2 1 338.499 3.220 20 0 EGADMP CC1([NH+]2CCCC2)CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000639981995 462203094 /nfs/dbraw/zinc/20/30/94/462203094.db2.gz CPASJIRTUDQMEF-UHFFFAOYSA-N 2 1 340.471 3.229 20 0 EGADMP CCn1nccc1[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657724903 462243277 /nfs/dbraw/zinc/24/32/77/462243277.db2.gz FRJSSIYAIPKCBM-UYAOXDASSA-N 2 1 346.519 3.120 20 0 EGADMP CO[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1C ZINC000648742306 462257117 /nfs/dbraw/zinc/25/71/17/462257117.db2.gz BXPWADSJCMGTBX-YLJYHZDGSA-N 2 1 332.488 3.018 20 0 EGADMP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000657883481 462306642 /nfs/dbraw/zinc/30/66/42/462306642.db2.gz SSXCUGBUIXRQCC-KRWDZBQOSA-N 2 1 330.516 3.197 20 0 EGADMP CCCN(C(=O)c1ccc(C[NH+](CC)CCC)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000649000950 462367293 /nfs/dbraw/zinc/36/72/93/462367293.db2.gz GIXSPXBGNFWRBR-HXUWFJFHSA-N 2 1 345.531 3.475 20 0 EGADMP CCCN(C(=O)c1ccc(C[N@H+](CC)CCC)cc1)[C@@H]1CC[NH+](C)C1 ZINC000649000950 462367298 /nfs/dbraw/zinc/36/72/98/462367298.db2.gz GIXSPXBGNFWRBR-HXUWFJFHSA-N 2 1 345.531 3.475 20 0 EGADMP CCCN(C(=O)c1ccc(C[N@@H+](CC)CCC)cc1)[C@@H]1CC[NH+](C)C1 ZINC000649000950 462367306 /nfs/dbraw/zinc/36/73/06/462367306.db2.gz GIXSPXBGNFWRBR-HXUWFJFHSA-N 2 1 345.531 3.475 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652135346 462445779 /nfs/dbraw/zinc/44/57/79/462445779.db2.gz NVEBCMOISGZTFG-MRXNPFEDSA-N 2 1 336.476 3.237 20 0 EGADMP C[C@H]1C[C@H](N(C)C(=O)CCC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000649330132 462479333 /nfs/dbraw/zinc/47/93/33/462479333.db2.gz ZGQLLRDRTMYHRX-FUHWJXTLSA-N 2 1 331.504 3.015 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)CC1 ZINC000658346753 462484878 /nfs/dbraw/zinc/48/48/78/462484878.db2.gz DUEPCZNZNFNXEO-NRFANRHFSA-N 2 1 346.515 3.346 20 0 EGADMP COc1ccccc1-c1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)on1 ZINC000658355090 462488911 /nfs/dbraw/zinc/48/89/11/462488911.db2.gz APFKBYSFUJUTOS-SUMDDJOVSA-N 2 1 341.455 3.313 20 0 EGADMP COc1ccccc1-c1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)on1 ZINC000658355090 462488915 /nfs/dbraw/zinc/48/89/15/462488915.db2.gz APFKBYSFUJUTOS-SUMDDJOVSA-N 2 1 341.455 3.313 20 0 EGADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@H](C)C1 ZINC000177968975 527800121 /nfs/dbraw/zinc/80/01/21/527800121.db2.gz YHYVEJUPXMVAEM-WIYYLYMNSA-N 2 1 329.532 3.013 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)CC(C)C)c2)[C@H](C)C1 ZINC000154786089 527802307 /nfs/dbraw/zinc/80/23/07/527802307.db2.gz MNWFVKYMJFDXRX-VQIMIIECSA-N 2 1 331.504 3.491 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)CC(C)C)c2)[C@H](C)C1 ZINC000154786089 527802316 /nfs/dbraw/zinc/80/23/16/527802316.db2.gz MNWFVKYMJFDXRX-VQIMIIECSA-N 2 1 331.504 3.491 20 0 EGADMP CCC[C@H](NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000174294906 528194158 /nfs/dbraw/zinc/19/41/58/528194158.db2.gz FQWRUFSASWIDKI-XLIONFOSSA-N 2 1 345.531 3.495 20 0 EGADMP CCCCNC(=O)c1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000177877492 528551452 /nfs/dbraw/zinc/55/14/52/528551452.db2.gz APGULFRXZKTHLX-FCEWJHQRSA-N 2 1 331.504 3.035 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000191473482 528862128 /nfs/dbraw/zinc/86/21/28/528862128.db2.gz VMLKBTHULPCCGS-UHFFFAOYSA-N 2 1 328.460 3.105 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000191473482 528862133 /nfs/dbraw/zinc/86/21/33/528862133.db2.gz VMLKBTHULPCCGS-UHFFFAOYSA-N 2 1 328.460 3.105 20 0 EGADMP CCc1cccc(C)c1NC(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000159205602 529155608 /nfs/dbraw/zinc/15/56/08/529155608.db2.gz WNSOMLWZVBXVJR-UHFFFAOYSA-N 2 1 328.460 3.023 20 0 EGADMP CCc1cccc(C)c1NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000159205602 529155611 /nfs/dbraw/zinc/15/56/11/529155611.db2.gz WNSOMLWZVBXVJR-UHFFFAOYSA-N 2 1 328.460 3.023 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+](C)C(C)C)cc1)C1CC1 ZINC000338023332 535782776 /nfs/dbraw/zinc/78/27/76/535782776.db2.gz PTFGUUXSFBPAOR-UHFFFAOYSA-N 2 1 331.504 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCCC[N@H+](C)C(C)C)cc1)C1CC1 ZINC000338023332 535782779 /nfs/dbraw/zinc/78/27/79/535782779.db2.gz PTFGUUXSFBPAOR-UHFFFAOYSA-N 2 1 331.504 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCCC[N@@H+](C)C(C)C)cc1)C1CC1 ZINC000338023332 535782782 /nfs/dbraw/zinc/78/27/82/535782782.db2.gz PTFGUUXSFBPAOR-UHFFFAOYSA-N 2 1 331.504 3.131 20 0 EGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCOC1 ZINC000358028531 535921306 /nfs/dbraw/zinc/92/13/06/535921306.db2.gz XZWUCMRXFZJXOC-JWWGGVBKSA-N 2 1 346.515 3.201 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000351615997 536353332 /nfs/dbraw/zinc/35/33/32/536353332.db2.gz PILNHUZMTTYOKD-ZWKOTPCHSA-N 2 1 345.535 3.058 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000351615997 536353335 /nfs/dbraw/zinc/35/33/35/536353335.db2.gz PILNHUZMTTYOKD-ZWKOTPCHSA-N 2 1 345.535 3.058 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000351615997 536353336 /nfs/dbraw/zinc/35/33/36/536353336.db2.gz PILNHUZMTTYOKD-ZWKOTPCHSA-N 2 1 345.535 3.058 20 0 EGADMP Clc1ccc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1Cl ZINC000039448447 546539456 /nfs/dbraw/zinc/53/94/56/546539456.db2.gz FLNKJTIIBXCQSM-CYBMUJFWSA-N 2 1 328.287 3.115 20 0 EGADMP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)n1 ZINC000089551219 546645280 /nfs/dbraw/zinc/64/52/80/546645280.db2.gz MWWOVCCNYBIKAQ-QZTJIDSGSA-N 2 1 340.471 3.058 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000135220412 546831879 /nfs/dbraw/zinc/83/18/79/546831879.db2.gz HYQGFBOYMWYTQD-BBWFWOEESA-N 2 1 347.503 3.217 20 0 EGADMP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1F ZINC000166337875 546988653 /nfs/dbraw/zinc/98/86/53/546988653.db2.gz OLCPYZFOCMDGFD-BZUAXINKSA-N 2 1 335.442 3.008 20 0 EGADMP Fc1ccc(C(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000262032155 547325190 /nfs/dbraw/zinc/32/51/90/547325190.db2.gz XFQLJCHHSBDLKN-CALCHBBNSA-N 2 1 328.406 3.248 20 0 EGADMP C[C@@H]([NH2+]Cc1cnc(C2CC2)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459471094 547943239 /nfs/dbraw/zinc/94/32/39/547943239.db2.gz FVCGFYWSRNMLGO-OXQOHEQNSA-N 2 1 336.483 3.354 20 0 EGADMP C[C@@H]([NH2+]Cc1cnc(C2CC2)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459471094 547943241 /nfs/dbraw/zinc/94/32/41/547943241.db2.gz FVCGFYWSRNMLGO-OXQOHEQNSA-N 2 1 336.483 3.354 20 0 EGADMP CCn1ccnc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000677129211 549214508 /nfs/dbraw/zinc/21/45/08/549214508.db2.gz OACVNYBXIAGLQE-IEBWSBKVSA-N 2 1 326.488 3.293 20 0 EGADMP CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678122391 549402171 /nfs/dbraw/zinc/40/21/71/549402171.db2.gz MZRWFJQRWYNJTM-MJGOQNOKSA-N 2 1 332.488 3.161 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000679420644 549708557 /nfs/dbraw/zinc/70/85/57/549708557.db2.gz BNZDGTLTZOBGGL-UHFFFAOYSA-N 2 1 328.431 3.324 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000679420644 549708562 /nfs/dbraw/zinc/70/85/62/549708562.db2.gz BNZDGTLTZOBGGL-UHFFFAOYSA-N 2 1 328.431 3.324 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCS1 ZINC000683164681 550199042 /nfs/dbraw/zinc/19/90/42/550199042.db2.gz MNGFVTYDEYBTOS-QGZVFWFLSA-N 2 1 334.529 3.489 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccnn1C ZINC000683692209 550254445 /nfs/dbraw/zinc/25/44/45/550254445.db2.gz MZXMYZYJBAEHRW-OJAHFUOMSA-N 2 1 338.499 3.371 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccnn1C ZINC000683692207 550254596 /nfs/dbraw/zinc/25/45/96/550254596.db2.gz MZXMYZYJBAEHRW-IJXRJRJASA-N 2 1 338.499 3.371 20 0 EGADMP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cc3ccccc3[nH]2)c2ccccc2)CC1 ZINC000683927320 550274484 /nfs/dbraw/zinc/27/44/84/550274484.db2.gz NRZVGVYEIQIBQA-JOCHJYFZSA-N 2 1 348.494 3.246 20 0 EGADMP C[N@@H+](Cc1ccccc1C1CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457376 550419230 /nfs/dbraw/zinc/41/92/30/550419230.db2.gz YHDILJDSMAEDEE-FQEVSTJZSA-N 2 1 327.516 3.164 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470394 550421044 /nfs/dbraw/zinc/42/10/44/550421044.db2.gz LJCVQAGQYJHYBI-DNVCBOLYSA-N 2 1 346.906 3.357 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2c(F)cccc2F)CC1 ZINC000728571320 574758830 /nfs/dbraw/zinc/75/88/30/574758830.db2.gz BJYZTPSVVXYOHF-KRWDZBQOSA-N 2 1 326.431 3.050 20 0 EGADMP CC1(C)Cc2cc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)ccc2O1 ZINC000733329091 575328276 /nfs/dbraw/zinc/32/82/76/575328276.db2.gz MIBRVSPQDVVJFP-IBGZPJMESA-N 2 1 344.499 3.133 20 0 EGADMP CC(C)CCn1cccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000738430911 576325268 /nfs/dbraw/zinc/32/52/68/576325268.db2.gz TZBYIADMMQQBMA-FQEVSTJZSA-N 2 1 333.520 3.267 20 0 EGADMP Cc1ccc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000069171264 1292233908 /nfs/dbraw/zinc/23/39/08/1292233908.db2.gz HFBIOJDOJZGGPN-IBGZPJMESA-N 2 1 329.513 3.135 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(F)c(F)c3)cc2)CC1 ZINC000069785284 1292252408 /nfs/dbraw/zinc/25/24/08/1292252408.db2.gz FOTVEPAEMSPWBU-UHFFFAOYSA-N 2 1 345.437 3.002 20 0 EGADMP Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000072720190 1292288975 /nfs/dbraw/zinc/28/89/75/1292288975.db2.gz VXRFLUCEYPVLJM-QGZVFWFLSA-N 2 1 347.478 3.271 20 0 EGADMP COc1ccc(Br)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000087790517 1292747222 /nfs/dbraw/zinc/74/72/22/1292747222.db2.gz DNXIAAGZQGXWHU-LBPRGKRZSA-N 2 1 327.266 3.019 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2cccs2)CC1 ZINC000093947430 1292939064 /nfs/dbraw/zinc/93/90/64/1292939064.db2.gz OUNOPCPJMDSSFG-UHFFFAOYSA-N 2 1 332.517 3.359 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000098173190 1292965113 /nfs/dbraw/zinc/96/51/13/1292965113.db2.gz IXMAORLXFVUBFB-QUCCMNQESA-N 2 1 332.488 3.066 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834802950 1293151504 /nfs/dbraw/zinc/15/15/04/1293151504.db2.gz HIUQLNUCYYRZKF-HRCADAONSA-N 2 1 327.513 3.093 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834802950 1293151505 /nfs/dbraw/zinc/15/15/05/1293151505.db2.gz HIUQLNUCYYRZKF-HRCADAONSA-N 2 1 327.513 3.093 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834802949 1293151549 /nfs/dbraw/zinc/15/15/49/1293151549.db2.gz HIUQLNUCYYRZKF-ARFHVFGLSA-N 2 1 327.513 3.093 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834802949 1293151555 /nfs/dbraw/zinc/15/15/55/1293151555.db2.gz HIUQLNUCYYRZKF-ARFHVFGLSA-N 2 1 327.513 3.093 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000118869619 1293244737 /nfs/dbraw/zinc/24/47/37/1293244737.db2.gz BZEDHEQRFWIEQK-HXUWFJFHSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@H]1CC(=O)N(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000119285268 1293263180 /nfs/dbraw/zinc/26/31/80/1293263180.db2.gz RDZGCRLGTNJLJD-SFHVURJKSA-N 2 1 343.515 3.046 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000131449903 1293690412 /nfs/dbraw/zinc/69/04/12/1293690412.db2.gz CAISNSOSJKJSKS-HZPDHXFCSA-N 2 1 348.491 3.073 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)C1 ZINC000151123819 1293909006 /nfs/dbraw/zinc/90/90/06/1293909006.db2.gz ZTBOXUDWRSNLJA-SFHVURJKSA-N 2 1 344.547 3.043 20 0 EGADMP CN(Cc1cc(=O)oc2cc3c(cc12)CCC3)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152424288 1293967896 /nfs/dbraw/zinc/96/78/96/1293967896.db2.gz CAKFEICXRJGWNK-OAHLLOKOSA-N 2 1 340.467 3.055 20 0 EGADMP C[NH+](Cc1cc(=O)oc2cc3c(cc12)CCC3)C[C@@H]1CCC[N@H+](C)C1 ZINC000152424288 1293967912 /nfs/dbraw/zinc/96/79/12/1293967912.db2.gz CAKFEICXRJGWNK-OAHLLOKOSA-N 2 1 340.467 3.055 20 0 EGADMP C[NH+](Cc1cc(=O)oc2cc3c(cc12)CCC3)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152424288 1293967915 /nfs/dbraw/zinc/96/79/15/1293967915.db2.gz CAKFEICXRJGWNK-OAHLLOKOSA-N 2 1 340.467 3.055 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnc3cnccn23)CC1 ZINC000156854347 1294161265 /nfs/dbraw/zinc/16/12/65/1294161265.db2.gz TWHZKHOSWODTBQ-INIZCTEOSA-N 2 1 335.455 3.045 20 0 EGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000173962294 1294474603 /nfs/dbraw/zinc/47/46/03/1294474603.db2.gz OODFLQNIKBMOAS-FQEVSTJZSA-N 2 1 343.515 3.229 20 0 EGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000173962294 1294474606 /nfs/dbraw/zinc/47/46/06/1294474606.db2.gz OODFLQNIKBMOAS-FQEVSTJZSA-N 2 1 343.515 3.229 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000173962294 1294474611 /nfs/dbraw/zinc/47/46/11/1294474611.db2.gz OODFLQNIKBMOAS-FQEVSTJZSA-N 2 1 343.515 3.229 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000173962294 1294474612 /nfs/dbraw/zinc/47/46/12/1294474612.db2.gz OODFLQNIKBMOAS-FQEVSTJZSA-N 2 1 343.515 3.229 20 0 EGADMP COc1cc(Cl)cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1O ZINC000184698648 1295211483 /nfs/dbraw/zinc/21/14/83/1295211483.db2.gz VXECNWDDUWOYHP-OAHLLOKOSA-N 2 1 326.868 3.360 20 0 EGADMP COc1cc(Cl)cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1O ZINC000184698648 1295211489 /nfs/dbraw/zinc/21/14/89/1295211489.db2.gz VXECNWDDUWOYHP-OAHLLOKOSA-N 2 1 326.868 3.360 20 0 EGADMP COc1cc(Cl)cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1O ZINC000184698648 1295211494 /nfs/dbraw/zinc/21/14/94/1295211494.db2.gz VXECNWDDUWOYHP-OAHLLOKOSA-N 2 1 326.868 3.360 20 0 EGADMP COc1cc(Cl)cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1O ZINC000184698648 1295211501 /nfs/dbraw/zinc/21/15/01/1295211501.db2.gz VXECNWDDUWOYHP-OAHLLOKOSA-N 2 1 326.868 3.360 20 0 EGADMP CC[C@@H](CNCc1ccc(OCC[NH+]2CCCC2)cc1)[NH+]1CCCC1 ZINC000236998789 1296215491 /nfs/dbraw/zinc/21/54/91/1296215491.db2.gz LFUYPCIRYHTKCO-FQEVSTJZSA-N 2 1 345.531 3.125 20 0 EGADMP Cc1ncccc1C[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000237636085 1296254006 /nfs/dbraw/zinc/25/40/06/1296254006.db2.gz BITIGGZSVDSWQQ-CALCHBBNSA-N 2 1 339.483 3.289 20 0 EGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000261545694 1296593372 /nfs/dbraw/zinc/59/33/72/1296593372.db2.gz GJESSCTWAZNMRI-PCCBWWKXSA-N 3 1 329.532 3.396 20 0 EGADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000261545694 1296593385 /nfs/dbraw/zinc/59/33/85/1296593385.db2.gz GJESSCTWAZNMRI-PCCBWWKXSA-N 2 1 329.532 3.396 20 0 EGADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000261545694 1296593395 /nfs/dbraw/zinc/59/33/95/1296593395.db2.gz GJESSCTWAZNMRI-PCCBWWKXSA-N 2 1 329.532 3.396 20 0 EGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000261545692 1296594255 /nfs/dbraw/zinc/59/42/55/1296594255.db2.gz GJESSCTWAZNMRI-ACRUOGEOSA-N 3 1 329.532 3.396 20 0 EGADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000261545692 1296594263 /nfs/dbraw/zinc/59/42/63/1296594263.db2.gz GJESSCTWAZNMRI-ACRUOGEOSA-N 2 1 329.532 3.396 20 0 EGADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000261545692 1296594273 /nfs/dbraw/zinc/59/42/73/1296594273.db2.gz GJESSCTWAZNMRI-ACRUOGEOSA-N 2 1 329.532 3.396 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cccc(O)c1F ZINC000872025743 1296672350 /nfs/dbraw/zinc/67/23/50/1296672350.db2.gz SKIRWYOYJMXJEJ-AWEZNQCLSA-N 2 1 332.419 3.323 20 0 EGADMP CC1(C)CCc2onc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2C1 ZINC000872143828 1296764792 /nfs/dbraw/zinc/76/47/92/1296764792.db2.gz XWDDZLAGFYRDEC-CVEARBPZSA-N 2 1 331.504 3.401 20 0 EGADMP CC(C)(C)c1noc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156421 1296775619 /nfs/dbraw/zinc/77/56/19/1296775619.db2.gz JGVQGIZEZPUQCN-ZBFHGGJFSA-N 2 1 334.508 3.487 20 0 EGADMP CC(C)(C)c1noc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156421 1296775629 /nfs/dbraw/zinc/77/56/29/1296775629.db2.gz JGVQGIZEZPUQCN-ZBFHGGJFSA-N 2 1 334.508 3.487 20 0 EGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2cc(CO)ccc2F)C1)C1CCCC1 ZINC000872158020 1296777299 /nfs/dbraw/zinc/77/72/99/1296777299.db2.gz RURULJOEWPVHGL-YWZLYKJASA-N 2 1 334.479 3.438 20 0 EGADMP C[C@@H](C[C@H](O)c1ccco1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000305742236 1297039523 /nfs/dbraw/zinc/03/95/23/1297039523.db2.gz NVWDOINUCVWRGY-PXNSSMCTSA-N 2 1 342.483 3.388 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]Cc1c(Br)c2ccccc2n1C ZINC000873139554 1297295306 /nfs/dbraw/zinc/29/53/06/1297295306.db2.gz AXSRQHRAZOVONZ-UHFFFAOYSA-N 2 1 347.260 3.007 20 0 EGADMP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCNC(=O)CC2)CCCCC1 ZINC000873172250 1297323416 /nfs/dbraw/zinc/32/34/16/1297323416.db2.gz QUZFECKABWBWBE-IBGZPJMESA-N 2 1 343.515 3.080 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCNC(=O)CC2)CCCCC1 ZINC000873172250 1297323431 /nfs/dbraw/zinc/32/34/31/1297323431.db2.gz QUZFECKABWBWBE-IBGZPJMESA-N 2 1 343.515 3.080 20 0 EGADMP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873263548 1297396567 /nfs/dbraw/zinc/39/65/67/1297396567.db2.gz JIUMCDODCZBRPN-BWUHRYBWSA-N 3 1 327.516 3.017 20 0 EGADMP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000873263548 1297396572 /nfs/dbraw/zinc/39/65/72/1297396572.db2.gz JIUMCDODCZBRPN-BWUHRYBWSA-N 2 1 327.516 3.017 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nccn3C)C2)cc1C ZINC000365664078 1297508469 /nfs/dbraw/zinc/50/84/69/1297508469.db2.gz PASDGHVWPOMNAV-IAGOWNOFSA-N 2 1 340.471 3.244 20 0 EGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000387628032 1297598940 /nfs/dbraw/zinc/59/89/40/1297598940.db2.gz DPORHZJPMAKYJA-GHTZIAJQSA-N 2 1 345.531 3.039 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400432557 1297730654 /nfs/dbraw/zinc/73/06/54/1297730654.db2.gz LOAINNZPYLDNNQ-INIZCTEOSA-N 2 1 341.540 3.342 20 0 EGADMP CCCC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000404518639 1297755643 /nfs/dbraw/zinc/75/56/43/1297755643.db2.gz URAHURMOWARMEL-DWRORGKVSA-N 2 1 331.504 3.014 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000692150752 1298140714 /nfs/dbraw/zinc/14/07/14/1298140714.db2.gz GZGNRMRFUKESPH-OWCLPIDISA-N 2 1 339.524 3.094 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000692150752 1298140721 /nfs/dbraw/zinc/14/07/21/1298140721.db2.gz GZGNRMRFUKESPH-OWCLPIDISA-N 2 1 339.524 3.094 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000704372612 1298205799 /nfs/dbraw/zinc/20/57/99/1298205799.db2.gz GHVKAGCBZICMHD-GVDBMIGSSA-N 2 1 339.524 3.096 20 0 EGADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000719901274 1298323068 /nfs/dbraw/zinc/32/30/68/1298323068.db2.gz CDUCSADVPMECIW-VAMGGRTRSA-N 2 1 343.515 3.017 20 0 EGADMP [NH3+]CC[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000723687344 1298341899 /nfs/dbraw/zinc/34/18/99/1298341899.db2.gz TUZLWDGGKPTSFJ-LLVKDONJSA-N 2 1 347.684 3.152 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000724043653 1298345054 /nfs/dbraw/zinc/34/50/54/1298345054.db2.gz BSUQMECGRPIFAQ-GVDBMIGSSA-N 2 1 339.524 3.001 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000725877582 1298380478 /nfs/dbraw/zinc/38/04/78/1298380478.db2.gz ASIAVYDHDBSCPP-UHFFFAOYSA-N 2 1 346.519 3.277 20 0 EGADMP C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000857192225 1328524448 /nfs/dbraw/zinc/52/44/48/1328524448.db2.gz FCVAICOPVSNXOZ-WOJBJXKFSA-N 2 1 343.515 3.052 20 0 EGADMP CC(C)[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)CN1CCCC1 ZINC000746660182 1298634812 /nfs/dbraw/zinc/63/48/12/1298634812.db2.gz VAISUJNIKDIENY-KRWDZBQOSA-N 2 1 344.421 3.373 20 0 EGADMP CC(C)[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)CN1CCCC1 ZINC000746660182 1298634815 /nfs/dbraw/zinc/63/48/15/1298634815.db2.gz VAISUJNIKDIENY-KRWDZBQOSA-N 2 1 344.421 3.373 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC000876730913 1298943480 /nfs/dbraw/zinc/94/34/80/1298943480.db2.gz MEPLWKHMIPLJCC-SFHVURJKSA-N 2 1 347.503 3.095 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000877020304 1299116606 /nfs/dbraw/zinc/11/66/06/1299116606.db2.gz ONROYAWRLFCZCC-MRXNPFEDSA-N 2 1 341.540 3.247 20 0 EGADMP CCC(CC)(CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000877069850 1299144086 /nfs/dbraw/zinc/14/40/86/1299144086.db2.gz HMAFRKRHYNRHKM-JKSUJKDBSA-N 2 1 341.540 3.390 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccnc3Br)C2)CC1 ZINC000877496198 1299346818 /nfs/dbraw/zinc/34/68/18/1299346818.db2.gz OFLZWQOXEHEPAD-UHFFFAOYSA-N 2 1 338.293 3.152 20 0 EGADMP C[NH+]1CCC2(CCC[N@H+](Cc3cccnc3Br)C2)CC1 ZINC000877496198 1299346808 /nfs/dbraw/zinc/34/68/08/1299346808.db2.gz OFLZWQOXEHEPAD-UHFFFAOYSA-N 2 1 338.293 3.152 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000877584456 1299414268 /nfs/dbraw/zinc/41/42/68/1299414268.db2.gz GBATVQGAAMXPLS-INIZCTEOSA-N 2 1 339.524 3.003 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000877653558 1299456185 /nfs/dbraw/zinc/45/61/85/1299456185.db2.gz NGZJVGMHYHAKGL-INIZCTEOSA-N 2 1 339.524 3.003 20 0 EGADMP CCC1([NH+]2CCCC2)CCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000877673171 1299469483 /nfs/dbraw/zinc/46/94/83/1299469483.db2.gz BFIRMVILAHMQSY-UHFFFAOYSA-N 2 1 336.549 3.045 20 0 EGADMP Cc1c(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)sc2nc(C)nc(C)c12 ZINC000877744651 1299522773 /nfs/dbraw/zinc/52/27/73/1299522773.db2.gz WJRLZVLWNBKZJB-CABCVRRESA-N 2 1 330.501 3.143 20 0 EGADMP Cc1c(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)sc2nc(C)nc(C)c12 ZINC000877744651 1299522776 /nfs/dbraw/zinc/52/27/76/1299522776.db2.gz WJRLZVLWNBKZJB-CABCVRRESA-N 2 1 330.501 3.143 20 0 EGADMP Cc1c(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)sc2nc(C)nc(C)c12 ZINC000877744651 1299522782 /nfs/dbraw/zinc/52/27/82/1299522782.db2.gz WJRLZVLWNBKZJB-CABCVRRESA-N 2 1 330.501 3.143 20 0 EGADMP Cc1c(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)sc2nc(C)nc(C)c12 ZINC000877744651 1299522787 /nfs/dbraw/zinc/52/27/87/1299522787.db2.gz WJRLZVLWNBKZJB-CABCVRRESA-N 2 1 330.501 3.143 20 0 EGADMP C[NH+]1CCN(C2CC[NH+](Cc3c(Cl)oc4ccccc43)CC2)CC1 ZINC000877747612 1299525038 /nfs/dbraw/zinc/52/50/38/1299525038.db2.gz UFSZKXYWCUFZRN-UHFFFAOYSA-N 2 1 347.890 3.298 20 0 EGADMP COc1cc(C)c([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1C ZINC000753654262 1300000303 /nfs/dbraw/zinc/00/03/03/1300000303.db2.gz NIVRFOJWOMZFJA-SFHVURJKSA-N 2 1 347.547 3.236 20 0 EGADMP CC[NH+](CC)CCC[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000755071551 1300279900 /nfs/dbraw/zinc/27/99/00/1300279900.db2.gz VHKKHPSKKQRDFA-UHFFFAOYSA-N 2 1 327.513 3.098 20 0 EGADMP Cc1ccc(-c2cnn(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c2)cc1 ZINC000755781128 1300395390 /nfs/dbraw/zinc/39/53/90/1300395390.db2.gz SQNGMYUCFFKDAT-HXUWFJFHSA-N 2 1 338.499 3.480 20 0 EGADMP Cc1ccc(-c2cnn(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c2)cc1 ZINC000755781125 1300395933 /nfs/dbraw/zinc/39/59/33/1300395933.db2.gz SQNGMYUCFFKDAT-FQEVSTJZSA-N 2 1 338.499 3.480 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000756103984 1300439425 /nfs/dbraw/zinc/43/94/25/1300439425.db2.gz XJWDXSMGTAOXCT-UHFFFAOYSA-N 2 1 345.447 3.113 20 0 EGADMP Cc1ccccc1-c1nc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)no1 ZINC000879249532 1300453378 /nfs/dbraw/zinc/45/33/78/1300453378.db2.gz SXCMSSXHSWWQMI-UHFFFAOYSA-N 2 1 340.471 3.353 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000759134674 1301021072 /nfs/dbraw/zinc/02/10/72/1301021072.db2.gz IYAMCQHZTBGJJV-IYBDPMFKSA-N 2 1 341.540 3.247 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759848015 1301176270 /nfs/dbraw/zinc/17/62/70/1301176270.db2.gz JEXUDAIIFVUARA-INIZCTEOSA-N 2 1 325.815 3.040 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759848015 1301176281 /nfs/dbraw/zinc/17/62/81/1301176281.db2.gz JEXUDAIIFVUARA-INIZCTEOSA-N 2 1 325.815 3.040 20 0 EGADMP FC(F)(F)[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@@H](C(F)(F)F)C2)C1 ZINC000761056443 1301396348 /nfs/dbraw/zinc/39/63/48/1301396348.db2.gz XMSLSFZHBNBPRH-JZIZGNRHSA-N 2 1 330.316 3.311 20 0 EGADMP Cc1[nH+]ccn1CCCOC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000767632330 1302726611 /nfs/dbraw/zinc/72/66/11/1302726611.db2.gz KXAHQYMXMLNTGX-LJQANCHMSA-N 2 1 341.455 3.037 20 0 EGADMP Cc1[nH+]ccn1CCCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000767632330 1302726618 /nfs/dbraw/zinc/72/66/18/1302726618.db2.gz KXAHQYMXMLNTGX-LJQANCHMSA-N 2 1 341.455 3.037 20 0 EGADMP Cc1[nH+]ccn1CCOC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000771874267 1303452964 /nfs/dbraw/zinc/45/29/64/1303452964.db2.gz HQQQTKHXDMZZLT-UHFFFAOYSA-N 2 1 327.428 3.034 20 0 EGADMP C[C@@H]1CC[C@H](C[NH+](C)[C@H]2CC[C@H]([N@H+](C)C[C@H]3CC[C@@H](C)O3)CC2)O1 ZINC000886389711 1303453715 /nfs/dbraw/zinc/45/37/15/1303453715.db2.gz VHVVLQMMCSNVTB-BZIXAJQCSA-N 2 1 338.536 3.296 20 0 EGADMP CO[C@@H]1CC[C@@H]([NH+](C)[C@@H]2CC[C@@H]([N@H+](C)[C@H]3CC[C@@H](OC)C3)CC2)C1 ZINC000886389450 1303453827 /nfs/dbraw/zinc/45/38/27/1303453827.db2.gz JSMBLKDBBALJAC-IGOIZDSHSA-N 2 1 338.536 3.296 20 0 EGADMP CO[C@@H]1CC[C@@H]([N@@H+](C)[C@@H]2CC[C@@H]([NH+](C)[C@H]3CC[C@@H](OC)C3)CC2)C1 ZINC000886389450 1303453831 /nfs/dbraw/zinc/45/38/31/1303453831.db2.gz JSMBLKDBBALJAC-IGOIZDSHSA-N 2 1 338.536 3.296 20 0 EGADMP CO[C@@H]1CC[C@@H]([N@H+](C)[C@@H]2CC[C@@H]([NH+](C)[C@H]3CC[C@@H](OC)C3)CC2)C1 ZINC000886389450 1303453834 /nfs/dbraw/zinc/45/38/34/1303453834.db2.gz JSMBLKDBBALJAC-IGOIZDSHSA-N 2 1 338.536 3.296 20 0 EGADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC2)[nH+]c1C ZINC000886667595 1303547375 /nfs/dbraw/zinc/54/73/75/1303547375.db2.gz DIDYSFOIJQKZFS-QGZVFWFLSA-N 2 1 335.398 3.218 20 0 EGADMP COc1ccc(-c2cc(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)on2)cc1 ZINC000886874610 1303622135 /nfs/dbraw/zinc/62/21/35/1303622135.db2.gz RNPSABOPKZNYRW-HXUWFJFHSA-N 2 1 341.455 3.316 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)on2)cc1 ZINC000886874610 1303622139 /nfs/dbraw/zinc/62/21/39/1303622139.db2.gz RNPSABOPKZNYRW-HXUWFJFHSA-N 2 1 341.455 3.316 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(F)cc2Cl)C[C@@H]1C ZINC000774637853 1303839362 /nfs/dbraw/zinc/83/93/62/1303839362.db2.gz STBMCYJAVWTOGN-RVSPLBMKSA-N 2 1 328.859 3.317 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(F)cc2Cl)C[C@@H]1C ZINC000774637853 1303839367 /nfs/dbraw/zinc/83/93/67/1303839367.db2.gz STBMCYJAVWTOGN-RVSPLBMKSA-N 2 1 328.859 3.317 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc(F)cc2Cl)C[C@@H]1C ZINC000774637853 1303839373 /nfs/dbraw/zinc/83/93/73/1303839373.db2.gz STBMCYJAVWTOGN-RVSPLBMKSA-N 2 1 328.859 3.317 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc(F)cc2Cl)C[C@@H]1C ZINC000774637853 1303839378 /nfs/dbraw/zinc/83/93/78/1303839378.db2.gz STBMCYJAVWTOGN-RVSPLBMKSA-N 2 1 328.859 3.317 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000775374904 1303948838 /nfs/dbraw/zinc/94/88/38/1303948838.db2.gz HOZMTKQJLVJWKS-VQHPVUNQSA-N 2 1 328.591 3.468 20 0 EGADMP CCOc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000775537995 1303980609 /nfs/dbraw/zinc/98/06/09/1303980609.db2.gz JBOFEULVNGJYIT-IEBWSBKVSA-N 2 1 334.504 3.219 20 0 EGADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000778975528 1304514226 /nfs/dbraw/zinc/51/42/26/1304514226.db2.gz JZWVZBCKRVWFAN-FUHWJXTLSA-N 2 1 325.456 3.090 20 0 EGADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000778975528 1304514231 /nfs/dbraw/zinc/51/42/31/1304514231.db2.gz JZWVZBCKRVWFAN-FUHWJXTLSA-N 2 1 325.456 3.090 20 0 EGADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000781423889 1304826388 /nfs/dbraw/zinc/82/63/88/1304826388.db2.gz UGZASGWFALXKFC-RYFAJOAYSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CCC[NH+]1CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000781423889 1304826393 /nfs/dbraw/zinc/82/63/93/1304826393.db2.gz UGZASGWFALXKFC-RYFAJOAYSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CCC[NH+]1CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000781423889 1304826396 /nfs/dbraw/zinc/82/63/96/1304826396.db2.gz UGZASGWFALXKFC-RYFAJOAYSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CCCN1CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000781423889 1304826399 /nfs/dbraw/zinc/82/63/99/1304826399.db2.gz UGZASGWFALXKFC-RYFAJOAYSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CCCN1CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000781423889 1304826403 /nfs/dbraw/zinc/82/64/03/1304826403.db2.gz UGZASGWFALXKFC-RYFAJOAYSA-N 2 1 341.543 3.361 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000781976191 1304898486 /nfs/dbraw/zinc/89/84/86/1304898486.db2.gz NRSOEKMGMHDNSD-INIZCTEOSA-N 2 1 339.524 3.240 20 0 EGADMP C[C@@H]1C[N@@H+]([C@@H]2CCc3cc(Cl)ccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000782184829 1304927743 /nfs/dbraw/zinc/92/77/43/1304927743.db2.gz GDOFKRGPJGZHGY-CDHQVMDDSA-N 2 1 347.934 3.285 20 0 EGADMP C[C@@H]1C[N@H+]([C@@H]2CCc3cc(Cl)ccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000782184829 1304927746 /nfs/dbraw/zinc/92/77/46/1304927746.db2.gz GDOFKRGPJGZHGY-CDHQVMDDSA-N 2 1 347.934 3.285 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000783325237 1305081340 /nfs/dbraw/zinc/08/13/40/1305081340.db2.gz GLPKCYNNETWAHC-VQHPVUNQSA-N 2 1 339.524 3.142 20 0 EGADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cn(C)nc2C2CC2)CC1 ZINC000892607485 1305467016 /nfs/dbraw/zinc/46/70/16/1305467016.db2.gz SYUVJIVUKJPXSJ-UHFFFAOYSA-N 2 1 338.499 3.360 20 0 EGADMP CCc1onc(C)c1CNCc1ccc(-n2ccnc2C)c(F)c1 ZINC000892676429 1305501822 /nfs/dbraw/zinc/50/18/22/1305501822.db2.gz LHVNMLZKWFAZCN-UHFFFAOYSA-N 2 1 328.391 3.468 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)nc1 ZINC000892737832 1305528988 /nfs/dbraw/zinc/52/89/88/1305528988.db2.gz LXRZMIAWXWQMAG-OAHLLOKOSA-N 2 1 331.485 3.154 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)nc1 ZINC000892737832 1305528995 /nfs/dbraw/zinc/52/89/95/1305528995.db2.gz LXRZMIAWXWQMAG-OAHLLOKOSA-N 2 1 331.485 3.154 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000787992576 1305840249 /nfs/dbraw/zinc/84/02/49/1305840249.db2.gz HJKBSDKUQQCOMF-KRWDZBQOSA-N 2 1 339.524 3.098 20 0 EGADMP c1ccc2c(c1)CC[C@H]2C[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000893343153 1305841553 /nfs/dbraw/zinc/84/15/53/1305841553.db2.gz FAPLGCHSZGZFQI-IBGZPJMESA-N 2 1 328.500 3.341 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000788025797 1305848162 /nfs/dbraw/zinc/84/81/62/1305848162.db2.gz UMDQQJAMCLNMRM-QGZVFWFLSA-N 2 1 342.405 3.421 20 0 EGADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857199136 1328524618 /nfs/dbraw/zinc/52/46/18/1328524618.db2.gz COQXPQPZZXPEOU-WOJBJXKFSA-N 2 1 343.515 3.052 20 0 EGADMP CC[C@@H]1C[NH+](C)CCCN1C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857199136 1328524619 /nfs/dbraw/zinc/52/46/19/1328524619.db2.gz COQXPQPZZXPEOU-WOJBJXKFSA-N 2 1 343.515 3.052 20 0 EGADMP CC[C@@H]1C[NH+](C)CCCN1C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857199136 1328524620 /nfs/dbraw/zinc/52/46/20/1328524620.db2.gz COQXPQPZZXPEOU-WOJBJXKFSA-N 2 1 343.515 3.052 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(CC)cc2)[C@H](C)C1 ZINC000789385201 1306152737 /nfs/dbraw/zinc/15/27/37/1306152737.db2.gz XSSHSKAADXGGOI-JRGCBEDISA-N 2 1 348.531 3.009 20 0 EGADMP CCC[N@@H+](CC1CC[NH+](C)CC1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000894099801 1306219576 /nfs/dbraw/zinc/21/95/76/1306219576.db2.gz BYZQXFQHEOMTGZ-KRWDZBQOSA-N 2 1 331.504 3.376 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000894600628 1308973376 /nfs/dbraw/zinc/97/33/76/1308973376.db2.gz JDKNRMHQOUNDPG-UHFFFAOYSA-N 3 1 341.543 3.316 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(-n2cccn2)c(F)c1 ZINC000894624125 1308984410 /nfs/dbraw/zinc/98/44/10/1308984410.db2.gz SRYJXBKRVOTJST-HZTRTUMWSA-N 2 1 328.435 3.287 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)CC1 ZINC000894814104 1309084679 /nfs/dbraw/zinc/08/46/79/1309084679.db2.gz XZJLBDULGJQYQO-INIZCTEOSA-N 2 1 338.293 3.323 20 0 EGADMP Cc1ccc(C2=NO[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1C ZINC000895496708 1309371110 /nfs/dbraw/zinc/37/11/10/1309371110.db2.gz AHJJKROOTBMPOT-QYZOEREBSA-N 2 1 327.472 3.013 20 0 EGADMP Cc1ccc(C2=NO[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1C ZINC000895496708 1309371118 /nfs/dbraw/zinc/37/11/18/1309371118.db2.gz AHJJKROOTBMPOT-QYZOEREBSA-N 2 1 327.472 3.013 20 0 EGADMP Cc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c(-c2cnn(C)c2)c1 ZINC000895672458 1309459898 /nfs/dbraw/zinc/45/98/98/1309459898.db2.gz ZBLJOAISQOMXFA-UHFFFAOYSA-N 2 1 338.499 3.456 20 0 EGADMP c1[nH+]cn2c1CC[C@@H](c1nc(-c3cccc(C[NH+]4CCCC4)c3)no1)C2 ZINC000896048318 1309673695 /nfs/dbraw/zinc/67/36/95/1309673695.db2.gz MWQUITCPIFGJFS-QGZVFWFLSA-N 2 1 349.438 3.259 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000896407605 1309845907 /nfs/dbraw/zinc/84/59/07/1309845907.db2.gz SOYDWESXAUFSGX-QFBILLFUSA-N 2 1 343.515 3.201 20 0 EGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795932497 1309865148 /nfs/dbraw/zinc/86/51/48/1309865148.db2.gz DTRRIFSSYNMEHU-QGZVFWFLSA-N 2 1 338.536 3.410 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795932497 1309865150 /nfs/dbraw/zinc/86/51/50/1309865150.db2.gz DTRRIFSSYNMEHU-QGZVFWFLSA-N 2 1 338.536 3.410 20 0 EGADMP CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179094 1310500465 /nfs/dbraw/zinc/50/04/65/1310500465.db2.gz CNCYGSMPFYHAGZ-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1C ZINC000799177023 1310500902 /nfs/dbraw/zinc/50/09/02/1310500902.db2.gz IJCDSXXQAGLLGU-UHFFFAOYSA-N 2 1 329.488 3.050 20 0 EGADMP c1cncc([C@@H]2CCC[C@@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)c1 ZINC000800239543 1310709643 /nfs/dbraw/zinc/70/96/43/1310709643.db2.gz KAYWSBKZSYDBPK-UIFIKXQLSA-N 2 1 343.515 3.341 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CC[N@H+]1CCCC1(C)C)NC(=O)OC(C)(C)C ZINC000825331314 1320328756 /nfs/dbraw/zinc/32/87/56/1320328756.db2.gz CXRCDUIQBQNPTM-LSDHHAIUSA-N 2 1 327.513 3.142 20 0 EGADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)NC(C)(C)C[NH+]3CCCC3)c2)C1 ZINC000857283966 1328526180 /nfs/dbraw/zinc/52/61/80/1328526180.db2.gz ZWAVWWVIDIQCDB-IBGZPJMESA-N 2 1 343.515 3.100 20 0 EGADMP Cc1[nH+]ccn1CCCCOC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000801868579 1316958700 /nfs/dbraw/zinc/95/87/00/1316958700.db2.gz ZBXIBOFYFZKGPP-UHFFFAOYSA-N 2 1 341.455 3.425 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000957283492 1317260434 /nfs/dbraw/zinc/26/04/34/1317260434.db2.gz BEQKXXAHEXUHHD-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C1C[NH+](CCCC2CCCC2)C1 ZINC000957424340 1317348590 /nfs/dbraw/zinc/34/85/90/1317348590.db2.gz OYLAIYOODWXMKB-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C1C[NH+](CCCC2CCCC2)C1 ZINC000957424340 1317348600 /nfs/dbraw/zinc/34/86/00/1317348600.db2.gz OYLAIYOODWXMKB-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000805772931 1317422538 /nfs/dbraw/zinc/42/25/38/1317422538.db2.gz PTIDGZZHGUUQIC-ZBFHGGJFSA-N 2 1 344.421 3.025 20 0 EGADMP C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000805772931 1317422542 /nfs/dbraw/zinc/42/25/42/1317422542.db2.gz PTIDGZZHGUUQIC-ZBFHGGJFSA-N 2 1 344.421 3.025 20 0 EGADMP CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)CC1 ZINC000957617349 1317499280 /nfs/dbraw/zinc/49/92/80/1317499280.db2.gz IDDSBPRLQNBIPJ-IBGZPJMESA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001020029177 1317508060 /nfs/dbraw/zinc/50/80/60/1317508060.db2.gz XARNKPGMIKZGGV-MVJPYGJCSA-N 2 1 343.515 3.202 20 0 EGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000902332281 1317564162 /nfs/dbraw/zinc/56/41/62/1317564162.db2.gz FBFTWKUKGMYBJK-PMACEKPBSA-N 2 1 329.532 3.266 20 0 EGADMP CC1(C)C[NH2+]CC[C@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000902332281 1317564169 /nfs/dbraw/zinc/56/41/69/1317564169.db2.gz FBFTWKUKGMYBJK-PMACEKPBSA-N 2 1 329.532 3.266 20 0 EGADMP CC1(C)C[NH2+]CC[C@H](NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000902332281 1317564173 /nfs/dbraw/zinc/56/41/73/1317564173.db2.gz FBFTWKUKGMYBJK-PMACEKPBSA-N 2 1 329.532 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3ccccc3C)C2)CC[N@H+]1C ZINC001020174623 1317574848 /nfs/dbraw/zinc/57/48/48/1317574848.db2.gz JOYXPFPPVLFSSD-RISVGRPXSA-N 2 1 343.515 3.023 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cn1 ZINC000902503558 1317585131 /nfs/dbraw/zinc/58/51/31/1317585131.db2.gz SOWIVPNYXLLTMK-IRWQIABSSA-N 2 1 327.403 3.127 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001020238914 1317604341 /nfs/dbraw/zinc/60/43/41/1317604341.db2.gz HUYMCWOVQIDKNX-FHWLQOOXSA-N 2 1 335.536 3.066 20 0 EGADMP CCO[C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000902796138 1317617348 /nfs/dbraw/zinc/61/73/48/1317617348.db2.gz JVQSJFQGHXWGST-PKOBYXMFSA-N 2 1 338.536 3.347 20 0 EGADMP CC[C@@H](C(=O)N1CCC(C[N@@H+](CC)CC2CCCC2)CC1)[NH+](C)C ZINC000957753623 1317622304 /nfs/dbraw/zinc/62/23/04/1317622304.db2.gz ZHLSTVBWKJQHQA-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+](CC1CC1)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000957760231 1317627473 /nfs/dbraw/zinc/62/74/73/1317627473.db2.gz UDYAXYUALQCQSZ-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC1CC1)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000957760231 1317627478 /nfs/dbraw/zinc/62/74/78/1317627478.db2.gz UDYAXYUALQCQSZ-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC1CC1)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000957760231 1317627483 /nfs/dbraw/zinc/62/74/83/1317627483.db2.gz UDYAXYUALQCQSZ-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccccc1Cl ZINC001020297762 1317633582 /nfs/dbraw/zinc/63/35/82/1317633582.db2.gz YKHRHIYYNQAUFJ-ADAWSYLGSA-N 2 1 349.906 3.122 20 0 EGADMP CN(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1F ZINC000903072074 1317648293 /nfs/dbraw/zinc/64/82/93/1317648293.db2.gz BXJOFFIWFKDTEA-ZNXRZULTSA-N 2 1 331.479 3.399 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020339904 1317651593 /nfs/dbraw/zinc/65/15/93/1317651593.db2.gz AILJBNSEFZGUSD-VAMGGRTRSA-N 2 1 349.563 3.314 20 0 EGADMP CC[C@H]([NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O)c1cccc(F)c1 ZINC000903119394 1317656868 /nfs/dbraw/zinc/65/68/68/1317656868.db2.gz ZULWCEOWFJWHBZ-MDMHHNQBSA-N 2 1 334.479 3.346 20 0 EGADMP COC(=O)Nc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903122180 1317658689 /nfs/dbraw/zinc/65/86/89/1317658689.db2.gz WTRYSZLNWDSWDV-JLYLLQBASA-N 2 1 343.471 3.155 20 0 EGADMP O=C1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCN1C1CCCCC1 ZINC000903157738 1317664732 /nfs/dbraw/zinc/66/47/32/1317664732.db2.gz NQJQRGIPUHIZMU-FOUFQHLJSA-N 2 1 345.531 3.058 20 0 EGADMP O=C1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCN1C1CCCCC1 ZINC000903157738 1317664737 /nfs/dbraw/zinc/66/47/37/1317664737.db2.gz NQJQRGIPUHIZMU-FOUFQHLJSA-N 2 1 345.531 3.058 20 0 EGADMP C[C@@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000903172592 1317667514 /nfs/dbraw/zinc/66/75/14/1317667514.db2.gz SDFZWRATCUORNV-KUIDOIOASA-N 2 1 339.527 3.397 20 0 EGADMP C[C@@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC[NH+]1Cc1ccccc1 ZINC000903172592 1317667518 /nfs/dbraw/zinc/66/75/18/1317667518.db2.gz SDFZWRATCUORNV-KUIDOIOASA-N 2 1 339.527 3.397 20 0 EGADMP C[C@@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC[NH+]1Cc1ccccc1 ZINC000903172592 1317667521 /nfs/dbraw/zinc/66/75/21/1317667521.db2.gz SDFZWRATCUORNV-KUIDOIOASA-N 2 1 339.527 3.397 20 0 EGADMP C[C@@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCN1Cc1ccccc1 ZINC000903172592 1317667525 /nfs/dbraw/zinc/66/75/25/1317667525.db2.gz SDFZWRATCUORNV-KUIDOIOASA-N 2 1 339.527 3.397 20 0 EGADMP C[C@@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCN1Cc1ccccc1 ZINC000903172592 1317667530 /nfs/dbraw/zinc/66/75/30/1317667530.db2.gz SDFZWRATCUORNV-KUIDOIOASA-N 2 1 339.527 3.397 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000903258379 1317681475 /nfs/dbraw/zinc/68/14/75/1317681475.db2.gz BJUJRYSLSSLGLZ-HZEGPAAWSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000903258379 1317681479 /nfs/dbraw/zinc/68/14/79/1317681479.db2.gz BJUJRYSLSSLGLZ-HZEGPAAWSA-N 2 1 330.516 3.428 20 0 EGADMP Cc1nc([C@@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)sc1C ZINC000903735486 1317728452 /nfs/dbraw/zinc/72/84/52/1317728452.db2.gz AQNIIFJUAHTGOV-IAGOWNOFSA-N 2 1 349.544 3.098 20 0 EGADMP Cc1nc([C@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)sc1C ZINC000903735490 1317728750 /nfs/dbraw/zinc/72/87/50/1317728750.db2.gz AQNIIFJUAHTGOV-IRXDYDNUSA-N 2 1 349.544 3.098 20 0 EGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@H]1CC3(CO1)CC[NH2+]CC3)CCC2 ZINC000903755406 1317729267 /nfs/dbraw/zinc/72/92/67/1317729267.db2.gz GQNQZDPABFCICX-GDBMZVCRSA-N 2 1 349.544 3.173 20 0 EGADMP FC(F)CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903789636 1317734334 /nfs/dbraw/zinc/73/43/34/1317734334.db2.gz YSGGJEDURFSJHS-UYTSQGDYSA-N 2 1 328.447 3.043 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])CC(F)F)cc1Br ZINC000903919534 1317749391 /nfs/dbraw/zinc/74/93/91/1317749391.db2.gz DLHLIIOOOLKMOV-WPRPVWTQSA-N 2 1 337.208 3.091 20 0 EGADMP [NH3+][C@@H](C[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1)CC(F)F ZINC000903929680 1317750713 /nfs/dbraw/zinc/75/07/13/1317750713.db2.gz JGBRDCTVAMWNDP-WBVHZDCISA-N 2 1 326.431 3.243 20 0 EGADMP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903972968 1317759544 /nfs/dbraw/zinc/75/95/44/1317759544.db2.gz MRYOYKLACYWBCT-FHWLQOOXSA-N 2 1 332.463 3.210 20 0 EGADMP CCOc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)ccc1OC(=O)CC ZINC000858246305 1328722049 /nfs/dbraw/zinc/72/20/49/1328722049.db2.gz ZWHITXHLWFHKNU-KRWDZBQOSA-N 2 1 348.487 3.222 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)c1ccc(Cl)cc1 ZINC001020586039 1317790738 /nfs/dbraw/zinc/79/07/38/1317790738.db2.gz COTSYQCZGCOOQI-USJZOSNVSA-N 2 1 349.906 3.122 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC001020591511 1317791996 /nfs/dbraw/zinc/79/19/96/1317791996.db2.gz PLCTVJCSNNMGCG-WGSAOQKQSA-N 2 1 349.563 3.316 20 0 EGADMP COc1cc(C[N@H+](C)C[C@]2(C)CCC[NH2+]C2)ccc1OC(F)F ZINC000904304326 1317827786 /nfs/dbraw/zinc/82/77/86/1317827786.db2.gz YYWWLQYOPHRDFI-QGZVFWFLSA-N 2 1 328.403 3.118 20 0 EGADMP COc1cc(C[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)ccc1OC(F)F ZINC000904304326 1317827795 /nfs/dbraw/zinc/82/77/95/1317827795.db2.gz YYWWLQYOPHRDFI-QGZVFWFLSA-N 2 1 328.403 3.118 20 0 EGADMP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000904372664 1317838557 /nfs/dbraw/zinc/83/85/57/1317838557.db2.gz FYRJDSDXPGCAES-MOPGFXCFSA-N 2 1 348.531 3.260 20 0 EGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc(Br)c2OC(F)F)C1 ZINC000904406973 1317843368 /nfs/dbraw/zinc/84/33/68/1317843368.db2.gz ZGXQVDKWMJJCGN-JTQLQIEISA-N 2 1 349.219 3.221 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCN1c1ccccc1 ZINC000904468728 1317852380 /nfs/dbraw/zinc/85/23/80/1317852380.db2.gz FWCHWVYQTWTDLF-OAHLLOKOSA-N 2 1 327.497 3.105 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020675956 1317852410 /nfs/dbraw/zinc/85/24/10/1317852410.db2.gz MNANXXGIIBPDGN-UFYCRDLUSA-N 2 1 349.563 3.457 20 0 EGADMP CC[N@@H+](CCCNC(=O)Nc1ccccc1C[NH3+])C1CCCCC1 ZINC000904628595 1317871834 /nfs/dbraw/zinc/87/18/34/1317871834.db2.gz PPHBDFJORFLJKD-UHFFFAOYSA-N 2 1 332.492 3.312 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)C1 ZINC000809735331 1317882644 /nfs/dbraw/zinc/88/26/44/1317882644.db2.gz BDUCEBAFWQCOCX-GOSISDBHSA-N 2 1 344.547 3.041 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000809735524 1317883546 /nfs/dbraw/zinc/88/35/46/1317883546.db2.gz JRFLPCOOROMPQR-OAGGEKHMSA-N 2 1 346.462 3.064 20 0 EGADMP COc1cc2c(cc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)OCO2 ZINC000809738921 1317883944 /nfs/dbraw/zinc/88/39/44/1317883944.db2.gz POBNFMKPFYYJQB-UHFFFAOYSA-N 2 1 342.439 3.118 20 0 EGADMP COc1cc2c(cc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)OCO2 ZINC000809738921 1317883948 /nfs/dbraw/zinc/88/39/48/1317883948.db2.gz POBNFMKPFYYJQB-UHFFFAOYSA-N 2 1 342.439 3.118 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC000905048829 1317916439 /nfs/dbraw/zinc/91/64/39/1317916439.db2.gz FNBDXPDROOQHBG-HXUWFJFHSA-N 2 1 348.531 3.063 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001021094736 1318080504 /nfs/dbraw/zinc/08/05/04/1318080504.db2.gz ZWXXLVWYQHCWKG-VBSBHUPXSA-N 2 1 343.515 3.167 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000906419790 1318097847 /nfs/dbraw/zinc/09/78/47/1318097847.db2.gz ONQYIIGBMCQNED-UHFFFAOYSA-N 2 1 340.471 3.061 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001021299254 1318176169 /nfs/dbraw/zinc/17/61/69/1318176169.db2.gz GGDCCJSBYSERIP-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001021299254 1318176176 /nfs/dbraw/zinc/17/61/76/1318176176.db2.gz GGDCCJSBYSERIP-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001021299254 1318176181 /nfs/dbraw/zinc/17/61/81/1318176181.db2.gz GGDCCJSBYSERIP-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)C)C1 ZINC001021357756 1318208895 /nfs/dbraw/zinc/20/88/95/1318208895.db2.gz PLMJMTUXVBVBDS-XUBOLADHSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)C)C1 ZINC001021357756 1318208904 /nfs/dbraw/zinc/20/89/04/1318208904.db2.gz PLMJMTUXVBVBDS-XUBOLADHSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)C)C1 ZINC001021357756 1318208909 /nfs/dbraw/zinc/20/89/09/1318208909.db2.gz PLMJMTUXVBVBDS-XUBOLADHSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)[NH+]1CCCCCC1 ZINC001021400502 1318233468 /nfs/dbraw/zinc/23/34/68/1318233468.db2.gz XIRKNPZKBUFZAK-OHSMVPPVSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC000960006321 1318309779 /nfs/dbraw/zinc/30/97/79/1318309779.db2.gz GAGBDYWCMVGCFH-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC000960022024 1318316393 /nfs/dbraw/zinc/31/63/93/1318316393.db2.gz KLZYYQYBMPMLLE-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1)C1CCC1 ZINC000960023892 1318317911 /nfs/dbraw/zinc/31/79/11/1318317911.db2.gz ZKKHWNDRRFUYHB-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1C[C@@H](CCNc2cc[nH+]c(CO)c2)C[N@H+]1Cc1ccccc1 ZINC000858457918 1328767598 /nfs/dbraw/zinc/76/75/98/1328767598.db2.gz VZLAZWODUATTOB-SJLPKXTDSA-N 2 1 325.456 3.287 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000858491129 1328777856 /nfs/dbraw/zinc/77/78/56/1328777856.db2.gz YSPYKVCYNWJNMZ-BZUAXINKSA-N 2 1 346.462 3.065 20 0 EGADMP CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021738647 1318645870 /nfs/dbraw/zinc/64/58/70/1318645870.db2.gz BKZHHBWKWQXXMM-PMACEKPBSA-N 2 1 343.515 3.085 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000858491928 1328778400 /nfs/dbraw/zinc/77/84/00/1328778400.db2.gz QNGOWWHSKRJWFC-SJORKVTESA-N 2 1 345.487 3.416 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739751 1318648994 /nfs/dbraw/zinc/64/89/94/1318648994.db2.gz MWCGOTHSCDPRLH-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000960664774 1318780969 /nfs/dbraw/zinc/78/09/69/1318780969.db2.gz LPPUZPRNSXXSMG-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC000960664774 1318780978 /nfs/dbraw/zinc/78/09/78/1318780978.db2.gz LPPUZPRNSXXSMG-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC000960664774 1318780981 /nfs/dbraw/zinc/78/09/81/1318780981.db2.gz LPPUZPRNSXXSMG-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001022069971 1318787945 /nfs/dbraw/zinc/78/79/45/1318787945.db2.gz PUYJDZGAIZMPFA-IJXRJRJASA-N 2 1 343.515 3.166 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001022077471 1318792532 /nfs/dbraw/zinc/79/25/32/1318792532.db2.gz POYWGWSVACEQOD-HAGHYFMRSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001022202276 1318840875 /nfs/dbraw/zinc/84/08/75/1318840875.db2.gz VKZJECGBVZOKPD-IJXRJRJASA-N 2 1 343.515 3.247 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001022585002 1319004036 /nfs/dbraw/zinc/00/40/36/1319004036.db2.gz INIGPMLZFXHTQZ-SLFFLAALSA-N 2 1 349.563 3.316 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001022596032 1319008820 /nfs/dbraw/zinc/00/88/20/1319008820.db2.gz GABSLSINWMMDGT-XCDZQEORSA-N 2 1 343.515 3.023 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815560561 1319016749 /nfs/dbraw/zinc/01/67/49/1319016749.db2.gz KHRQAWDTPQTHNQ-VDZJLULYSA-N 2 1 343.471 3.311 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCC1 ZINC000960975398 1319110022 /nfs/dbraw/zinc/11/00/22/1319110022.db2.gz VLQQPOXTAXAZCY-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1 ZINC000960975398 1319110023 /nfs/dbraw/zinc/11/00/23/1319110023.db2.gz VLQQPOXTAXAZCY-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC000960975398 1319110025 /nfs/dbraw/zinc/11/00/25/1319110025.db2.gz VLQQPOXTAXAZCY-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022794464 1319113156 /nfs/dbraw/zinc/11/31/56/1319113156.db2.gz UKMRYPJKRGZYCA-HDICACEKSA-N 2 1 346.519 3.214 20 0 EGADMP C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC000960984049 1319115477 /nfs/dbraw/zinc/11/54/77/1319115477.db2.gz RGLAIFHQBOLVLB-INIZCTEOSA-N 2 1 346.519 3.046 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC000960984049 1319115480 /nfs/dbraw/zinc/11/54/80/1319115480.db2.gz RGLAIFHQBOLVLB-INIZCTEOSA-N 2 1 346.519 3.046 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001022838469 1319132290 /nfs/dbraw/zinc/13/22/90/1319132290.db2.gz PEWJCOVMZPRDHW-YRPNKDGESA-N 2 1 345.531 3.131 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccsc1 ZINC000961030808 1319153526 /nfs/dbraw/zinc/15/35/26/1319153526.db2.gz FXBLDIZQUCGDOM-QZTJIDSGSA-N 2 1 349.544 3.045 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccsc1 ZINC000961030808 1319153529 /nfs/dbraw/zinc/15/35/29/1319153529.db2.gz FXBLDIZQUCGDOM-QZTJIDSGSA-N 2 1 349.544 3.045 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccsc1 ZINC000961030808 1319153532 /nfs/dbraw/zinc/15/35/32/1319153532.db2.gz FXBLDIZQUCGDOM-QZTJIDSGSA-N 2 1 349.544 3.045 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC(C(C)(C)C)CC3)C2)C1 ZINC001023086510 1319255705 /nfs/dbraw/zinc/25/57/05/1319255705.db2.gz NZIXQQXKDIJRNL-MYZTUTKLSA-N 2 1 349.563 3.027 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H]3CCc4ccccc43)CC2)CC1 ZINC000817285608 1319315729 /nfs/dbraw/zinc/31/57/29/1319315729.db2.gz MIODOYMUZJLHKR-HXUWFJFHSA-N 2 1 341.543 3.208 20 0 EGADMP c1cc2c(s1)CCO[C@@H]2C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000817900763 1319455571 /nfs/dbraw/zinc/45/55/71/1319455571.db2.gz RRWCXPUPSZAEHO-RYQLBKOJSA-N 2 1 328.481 3.445 20 0 EGADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900006 1319455746 /nfs/dbraw/zinc/45/57/46/1319455746.db2.gz JMQBPNDHQLRXDQ-RLHVNXBHSA-N 2 1 329.532 3.332 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1c[nH+]ccc1N ZINC000817904253 1319457241 /nfs/dbraw/zinc/45/72/41/1319457241.db2.gz AYPXPJFJKMZEHC-RFAUZJTJSA-N 2 1 326.227 3.185 20 0 EGADMP CC[NH+](CC)Cc1cc([C@@H](C)NC[C@H]2CCC[NH2+]C2)ccc1OC ZINC000817945778 1319472021 /nfs/dbraw/zinc/47/20/21/1319472021.db2.gz LQQFNLWHKBQFIE-SJORKVTESA-N 2 1 333.520 3.187 20 0 EGADMP CC[NH+](CC)Cc1cc([C@H](C)N[C@@H]2CC[NH2+][C@@H](C)C2)ccc1OC ZINC000817972068 1319481201 /nfs/dbraw/zinc/48/12/01/1319481201.db2.gz SVPNASZJWAZUCW-TXPKVOOTSA-N 2 1 333.520 3.328 20 0 EGADMP COc1ccc([C@H](C)N[C@H]2CC[NH2+][C@H](C)C2)cc1C[NH+]1CCCCC1 ZINC000817972661 1319482543 /nfs/dbraw/zinc/48/25/43/1319482543.db2.gz ZHKSFHCRLYPGRL-UWVAXJGDSA-N 2 1 345.531 3.472 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](CCCC3CCC3)C2)CC[N@H+]1C ZINC001023380499 1319487165 /nfs/dbraw/zinc/48/71/65/1319487165.db2.gz ADOYVHHQZMHQMK-HSALFYBXSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+](CCCC3CCC3)C2)CC[NH+]1C ZINC001023380499 1319487170 /nfs/dbraw/zinc/48/71/70/1319487170.db2.gz ADOYVHHQZMHQMK-HSALFYBXSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CCCC3CCC3)C2)CC[NH+]1C ZINC001023380499 1319487175 /nfs/dbraw/zinc/48/71/75/1319487175.db2.gz ADOYVHHQZMHQMK-HSALFYBXSA-N 2 1 349.563 3.125 20 0 EGADMP CCc1ccc2c(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cc(=O)oc2c1 ZINC000818340357 1319529675 /nfs/dbraw/zinc/52/96/75/1319529675.db2.gz LFCGQLPODUJNKN-HNNXBMFYSA-N 2 1 340.467 3.319 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961379923 1319536387 /nfs/dbraw/zinc/53/63/87/1319536387.db2.gz XEFCZMCZKCEOGK-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961379923 1319536395 /nfs/dbraw/zinc/53/63/95/1319536395.db2.gz XEFCZMCZKCEOGK-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961379923 1319536398 /nfs/dbraw/zinc/53/63/98/1319536398.db2.gz XEFCZMCZKCEOGK-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000818959707 1319590622 /nfs/dbraw/zinc/59/06/22/1319590622.db2.gz RHPCICTYYZFINH-RHSMWYFYSA-N 2 1 326.431 3.242 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000818985889 1319605412 /nfs/dbraw/zinc/60/54/12/1319605412.db2.gz ZIBFGGHSSCMZHJ-CXAGYDPISA-N 2 1 328.859 3.223 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023762180 1319908411 /nfs/dbraw/zinc/90/84/11/1319908411.db2.gz SNEKGPDZPQJQRY-LJQANCHMSA-N 2 1 343.515 3.156 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822598463 1320102807 /nfs/dbraw/zinc/10/28/07/1320102807.db2.gz RGLKGHKDTBVFQI-XHSDSOJGSA-N 2 1 348.362 3.061 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822598463 1320102810 /nfs/dbraw/zinc/10/28/10/1320102810.db2.gz RGLKGHKDTBVFQI-XHSDSOJGSA-N 2 1 348.362 3.061 20 0 EGADMP CC[N@H+](C)[C@H](c1nc(-c2ccc(C[NH3+])cc2F)no1)c1ccccc1 ZINC000822901103 1320134500 /nfs/dbraw/zinc/13/45/00/1320134500.db2.gz NYJDKTQCDCIOJP-KRWDZBQOSA-N 2 1 340.402 3.376 20 0 EGADMP CC[N@@H+](C)[C@H](c1nc(-c2ccc(C[NH3+])cc2F)no1)c1ccccc1 ZINC000822901103 1320134502 /nfs/dbraw/zinc/13/45/02/1320134502.db2.gz NYJDKTQCDCIOJP-KRWDZBQOSA-N 2 1 340.402 3.376 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C)NC(=O)OC(C)(C)C ZINC000825331314 1320328753 /nfs/dbraw/zinc/32/87/53/1320328753.db2.gz CXRCDUIQBQNPTM-LSDHHAIUSA-N 2 1 327.513 3.142 20 0 EGADMP CC(C)(C)OC(=O)N1CCC(C[NH2+]CC[N@@H+]2CCCC2(C)C)CC1 ZINC000825327315 1320328251 /nfs/dbraw/zinc/32/82/51/1320328251.db2.gz SGKKQAINXLHBJY-UHFFFAOYSA-N 2 1 339.524 3.098 20 0 EGADMP CC(C)(C)OC(=O)N1CCC(C[NH2+]CC[N@H+]2CCCC2(C)C)CC1 ZINC000825327315 1320328253 /nfs/dbraw/zinc/32/82/53/1320328253.db2.gz SGKKQAINXLHBJY-UHFFFAOYSA-N 2 1 339.524 3.098 20 0 EGADMP CC(C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)=C1CCC1 ZINC000826924534 1320414097 /nfs/dbraw/zinc/41/40/97/1320414097.db2.gz XUUZIAZDPLQHLV-UHFFFAOYSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H](NC(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000859213880 1328948405 /nfs/dbraw/zinc/94/84/05/1328948405.db2.gz RRNIKNYZOLGOGN-QGZVFWFLSA-N 2 1 339.483 3.057 20 0 EGADMP C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000859213880 1328948408 /nfs/dbraw/zinc/94/84/08/1328948408.db2.gz RRNIKNYZOLGOGN-QGZVFWFLSA-N 2 1 339.483 3.057 20 0 EGADMP Cc1ccccc1SC[C@H](C)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000859215529 1328949106 /nfs/dbraw/zinc/94/91/06/1328949106.db2.gz JIKVYLUHOBOWST-GOSISDBHSA-N 2 1 349.588 3.293 20 0 EGADMP CC[N@@H+](Cc1ccc(-c2nc([C@@H]3CCC[NH2+]C3)no2)cc1)C(C)C ZINC000842665749 1321414521 /nfs/dbraw/zinc/41/45/21/1321414521.db2.gz AFXNZLKUUHMMEH-QGZVFWFLSA-N 2 1 328.460 3.434 20 0 EGADMP O[C@H](C[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000843066739 1321465400 /nfs/dbraw/zinc/46/54/00/1321465400.db2.gz UBMZRGUTIQQLMC-QZTJIDSGSA-N 2 1 330.497 3.283 20 0 EGADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc(-c2ccccc2)cc1 ZINC000843363482 1321506798 /nfs/dbraw/zinc/50/67/98/1321506798.db2.gz MDKJVMZGVRBAEC-UHFFFAOYSA-N 2 1 349.478 3.368 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc(=O)oc2c1C ZINC000843386874 1321509459 /nfs/dbraw/zinc/50/94/59/1321509459.db2.gz DOCISLPFVFNXDP-SJORKVTESA-N 2 1 340.467 3.231 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000843407696 1321512918 /nfs/dbraw/zinc/51/29/18/1321512918.db2.gz WYQBTHUYSXJBOE-UHFFFAOYSA-N 2 1 342.487 3.296 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])ccc1OC(=O)CC ZINC000844902352 1321656490 /nfs/dbraw/zinc/65/64/90/1321656490.db2.gz PXSVMALLSCZWDA-RDJZCZTQSA-N 2 1 348.487 3.350 20 0 EGADMP COc1cccc2cc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)oc21 ZINC000844909433 1321657142 /nfs/dbraw/zinc/65/71/42/1321657142.db2.gz BZAWMDUUNQOIOX-KVSKMBFKSA-N 2 1 344.455 3.302 20 0 EGADMP COc1cc(OC)c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1F ZINC000845967448 1321759927 /nfs/dbraw/zinc/75/99/27/1321759927.db2.gz BMOPYNGQGVWWLQ-UHFFFAOYSA-N 2 1 336.451 3.151 20 0 EGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(N2CCCCC2=O)cc1 ZINC000846911135 1321823531 /nfs/dbraw/zinc/82/35/31/1321823531.db2.gz QTIAVTNOUFUKAN-MRXNPFEDSA-N 2 1 340.471 3.220 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCCCCCC3)CC2)CC1 ZINC000848196305 1321941132 /nfs/dbraw/zinc/94/11/32/1321941132.db2.gz ACYGHQWQDDXIOY-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP c1cc([NH+]2CCCCC2)ccc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848538134 1321971719 /nfs/dbraw/zinc/97/17/19/1321971719.db2.gz SGMUGIHSUNTFJL-FQEVSTJZSA-N 2 1 329.488 3.342 20 0 EGADMP CC(C)CCNC(=[NH2+])NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989809 1322056700 /nfs/dbraw/zinc/05/67/00/1322056700.db2.gz BZMJYPOCIXRCDN-MJGOQNOKSA-N 2 1 330.520 3.447 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000849090822 1322074689 /nfs/dbraw/zinc/07/46/89/1322074689.db2.gz QUOJXKKRRBVCCP-LBPRGKRZSA-N 2 1 330.398 3.050 20 0 EGADMP Cc1ccc(CNC(=[NH2+])NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000849096070 1322076521 /nfs/dbraw/zinc/07/65/21/1322076521.db2.gz YSUWFQSUCKGNMQ-HXUWFJFHSA-N 2 1 336.483 3.131 20 0 EGADMP C[N@H+]1CCC[C@H](CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000849117108 1322084965 /nfs/dbraw/zinc/08/49/65/1322084965.db2.gz YQICCIHYWHEUEX-GFCCVEGCSA-N 2 1 344.381 3.253 20 0 EGADMP c1nn(CC2CCC2)cc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000921623002 1322365516 /nfs/dbraw/zinc/36/55/16/1322365516.db2.gz HIEPOQONUKEFKX-UHFFFAOYSA-N 2 1 330.520 3.427 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[C@H](C)O3)[C@@H](C)C1 ZINC000921748651 1322391383 /nfs/dbraw/zinc/39/13/83/1322391383.db2.gz ZAVONHSMQOFKAS-ZWOKBUDYSA-N 2 1 346.515 3.237 20 0 EGADMP OCCC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCc2ccccc21 ZINC000923315281 1322732272 /nfs/dbraw/zinc/73/22/72/1322732272.db2.gz FKPFUSUVJSPREH-ZJVRTDGDSA-N 2 1 328.500 3.279 20 0 EGADMP O[C@@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)cc1 ZINC000923401308 1322745515 /nfs/dbraw/zinc/74/55/15/1322745515.db2.gz UWWLVACGDRVVCW-SMXSEESUSA-N 2 1 334.891 3.368 20 0 EGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1)C1CCCC1 ZINC000923423526 1322749127 /nfs/dbraw/zinc/74/91/27/1322749127.db2.gz XIHARZROWQGTOF-CWFSZBLJSA-N 2 1 334.479 3.479 20 0 EGADMP [NH3+]CC[C@H]1CC[N@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000923485243 1322760428 /nfs/dbraw/zinc/76/04/28/1322760428.db2.gz RJSGMIXPBAJZPH-KXBFYZLASA-N 2 1 341.430 3.176 20 0 EGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000851738708 1323078090 /nfs/dbraw/zinc/07/80/90/1323078090.db2.gz PFARACGPBBXHTP-SFHVURJKSA-N 2 1 329.488 3.048 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000851738708 1323078093 /nfs/dbraw/zinc/07/80/93/1323078093.db2.gz PFARACGPBBXHTP-SFHVURJKSA-N 2 1 329.488 3.048 20 0 EGADMP CON1CCC([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000924678563 1323108461 /nfs/dbraw/zinc/10/84/61/1323108461.db2.gz CGJGDMUTUISLGW-KRWDZBQOSA-N 2 1 331.504 3.176 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000924684175 1323112088 /nfs/dbraw/zinc/11/20/88/1323112088.db2.gz JPGKTJRYUMGFCE-KSZLIROESA-N 2 1 341.503 3.286 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC000963158265 1323220353 /nfs/dbraw/zinc/22/03/53/1323220353.db2.gz WHNQFQWHONXEFV-ACBHZAAOSA-N 2 1 335.536 3.020 20 0 EGADMP OCCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000924940020 1323222260 /nfs/dbraw/zinc/22/22/60/1323222260.db2.gz IDRKEHWDLXTMOA-FSSWDIPSSA-N 2 1 344.543 3.472 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853100190 1323281187 /nfs/dbraw/zinc/28/11/87/1323281187.db2.gz ZJKKELLLFRLUKF-LAUBAEHRSA-N 2 1 339.483 3.279 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001024365805 1323337960 /nfs/dbraw/zinc/33/79/60/1323337960.db2.gz HYXRFYMGIOZPEF-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCCC1 ZINC001024365805 1323337964 /nfs/dbraw/zinc/33/79/64/1323337964.db2.gz HYXRFYMGIOZPEF-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCCC1 ZINC001024365805 1323337969 /nfs/dbraw/zinc/33/79/69/1323337969.db2.gz HYXRFYMGIOZPEF-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024437832 1323398101 /nfs/dbraw/zinc/39/81/01/1323398101.db2.gz WXZDWNPSKMXHIB-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001024437832 1323398110 /nfs/dbraw/zinc/39/81/10/1323398110.db2.gz WXZDWNPSKMXHIB-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001024437832 1323398118 /nfs/dbraw/zinc/39/81/18/1323398118.db2.gz WXZDWNPSKMXHIB-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024469253 1323425069 /nfs/dbraw/zinc/42/50/69/1323425069.db2.gz QVIHLPFXJWOCJZ-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1=CCCCC1 ZINC001024469253 1323425072 /nfs/dbraw/zinc/42/50/72/1323425072.db2.gz QVIHLPFXJWOCJZ-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1=CCCCC1 ZINC001024469253 1323425075 /nfs/dbraw/zinc/42/50/75/1323425075.db2.gz QVIHLPFXJWOCJZ-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479153 1323431505 /nfs/dbraw/zinc/43/15/05/1323431505.db2.gz AOEDDZKKHBCTGA-RBUKOAKNSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479153 1323431512 /nfs/dbraw/zinc/43/15/12/1323431512.db2.gz AOEDDZKKHBCTGA-RBUKOAKNSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479153 1323431518 /nfs/dbraw/zinc/43/15/18/1323431518.db2.gz AOEDDZKKHBCTGA-RBUKOAKNSA-N 2 1 335.536 3.164 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024814144 1323718244 /nfs/dbraw/zinc/71/82/44/1323718244.db2.gz ORKLSYDZKXEAJK-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001024814144 1323718247 /nfs/dbraw/zinc/71/82/47/1323718247.db2.gz ORKLSYDZKXEAJK-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001024814144 1323718248 /nfs/dbraw/zinc/71/82/48/1323718248.db2.gz ORKLSYDZKXEAJK-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2=CCCCC2)CC[N@H+]1C ZINC001024967734 1323804220 /nfs/dbraw/zinc/80/42/20/1323804220.db2.gz GHUVACXQDHJHAR-HSALFYBXSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC001024983406 1323813780 /nfs/dbraw/zinc/81/37/80/1323813780.db2.gz QPSDVFRSHYOIAV-YLJYHZDGSA-N 2 1 343.515 3.203 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000931430445 1329115944 /nfs/dbraw/zinc/11/59/44/1329115944.db2.gz CJYVJKDDBSMOBJ-SVFBPWRDSA-N 2 1 349.478 3.250 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000931430445 1329115947 /nfs/dbraw/zinc/11/59/47/1329115947.db2.gz CJYVJKDDBSMOBJ-SVFBPWRDSA-N 2 1 349.478 3.250 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000931430445 1329115950 /nfs/dbraw/zinc/11/59/50/1329115950.db2.gz CJYVJKDDBSMOBJ-SVFBPWRDSA-N 2 1 349.478 3.250 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000931430445 1329115954 /nfs/dbraw/zinc/11/59/54/1329115954.db2.gz CJYVJKDDBSMOBJ-SVFBPWRDSA-N 2 1 349.478 3.250 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000931430444 1329116287 /nfs/dbraw/zinc/11/62/87/1329116287.db2.gz CJYVJKDDBSMOBJ-DYXWJJEUSA-N 2 1 349.478 3.250 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000931430444 1329116290 /nfs/dbraw/zinc/11/62/90/1329116290.db2.gz CJYVJKDDBSMOBJ-DYXWJJEUSA-N 2 1 349.478 3.250 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000931430444 1329116292 /nfs/dbraw/zinc/11/62/92/1329116292.db2.gz CJYVJKDDBSMOBJ-DYXWJJEUSA-N 2 1 349.478 3.250 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000931430444 1329116305 /nfs/dbraw/zinc/11/63/05/1329116305.db2.gz CJYVJKDDBSMOBJ-DYXWJJEUSA-N 2 1 349.478 3.250 20 0 EGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435005 1329117077 /nfs/dbraw/zinc/11/70/77/1329117077.db2.gz DLMRBQZOLDXCPL-VHDGCEQUSA-N 2 1 346.862 3.335 20 0 EGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435005 1329117079 /nfs/dbraw/zinc/11/70/79/1329117079.db2.gz DLMRBQZOLDXCPL-VHDGCEQUSA-N 2 1 346.862 3.335 20 0 EGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435005 1329117081 /nfs/dbraw/zinc/11/70/81/1329117081.db2.gz DLMRBQZOLDXCPL-VHDGCEQUSA-N 2 1 346.862 3.335 20 0 EGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435005 1329117084 /nfs/dbraw/zinc/11/70/84/1329117084.db2.gz DLMRBQZOLDXCPL-VHDGCEQUSA-N 2 1 346.862 3.335 20 0 EGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435005 1329117088 /nfs/dbraw/zinc/11/70/88/1329117088.db2.gz DLMRBQZOLDXCPL-VHDGCEQUSA-N 2 1 346.862 3.335 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+]1CC1CCC1)C1CCC1 ZINC001025241378 1324035765 /nfs/dbraw/zinc/03/57/65/1324035765.db2.gz WWWAKUBFQFCPLI-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CC1CCC1)C1CCC1 ZINC001025241378 1324035772 /nfs/dbraw/zinc/03/57/72/1324035772.db2.gz WWWAKUBFQFCPLI-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+]1CC1CCC1)C1CCC1 ZINC001025241378 1324035777 /nfs/dbraw/zinc/03/57/77/1324035777.db2.gz WWWAKUBFQFCPLI-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001025286297 1324107065 /nfs/dbraw/zinc/10/70/65/1324107065.db2.gz IOUYTZIZVLIYNB-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300061 1324132510 /nfs/dbraw/zinc/13/25/10/1324132510.db2.gz AYXSGQKDNRPYQK-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025431831 1324267930 /nfs/dbraw/zinc/26/79/30/1324267930.db2.gz CYLVLFBURKDUKS-GJZGRUSLSA-N 2 1 337.533 3.050 20 0 EGADMP CC(C)C[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001026494413 1324847781 /nfs/dbraw/zinc/84/77/81/1324847781.db2.gz NSWXKNOEHYNGNB-VIQWUECVSA-N 2 1 349.563 3.314 20 0 EGADMP O=C(NC1CCC([NH2+]CC2CCC2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001026507346 1324855453 /nfs/dbraw/zinc/85/54/53/1324855453.db2.gz PSMJMLFGZUDLNY-QLOJAFMTSA-N 2 1 347.547 3.211 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC(C)C)CC1 ZINC001026590956 1324916695 /nfs/dbraw/zinc/91/66/95/1324916695.db2.gz NTZNYDQRTBAXNI-ACBHZAAOSA-N 2 1 337.552 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026874890 1325058532 /nfs/dbraw/zinc/05/85/32/1325058532.db2.gz BPWDIELRMPGWEG-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnnn2-c2ccccc2)C1 ZINC000925589650 1325223213 /nfs/dbraw/zinc/22/32/13/1325223213.db2.gz ZXMZVZVFDDBSDP-QZTJIDSGSA-N 2 1 341.503 3.286 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnnn2-c2ccccc2)C1 ZINC000925589650 1325223221 /nfs/dbraw/zinc/22/32/21/1325223221.db2.gz ZXMZVZVFDDBSDP-QZTJIDSGSA-N 2 1 341.503 3.286 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000925666745 1325255950 /nfs/dbraw/zinc/25/59/50/1325255950.db2.gz QXWWZGRLZMZUKF-MOPGFXCFSA-N 2 1 327.516 3.161 20 0 EGADMP FC(F)(F)c1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)ccn1 ZINC000925680498 1325261157 /nfs/dbraw/zinc/26/11/57/1325261157.db2.gz RBLYLEGZWBTMJJ-HUUCEWRRSA-N 2 1 327.394 3.358 20 0 EGADMP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccccc1I ZINC000925739958 1325276957 /nfs/dbraw/zinc/27/69/57/1325276957.db2.gz CJKDKZLXANWUQL-SNVBAGLBSA-N 2 1 332.229 3.069 20 0 EGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000925794664 1325304787 /nfs/dbraw/zinc/30/47/87/1325304787.db2.gz VQLGLDZEXANFIQ-QRVBRYPASA-N 2 1 343.515 3.165 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CCC([NH2+]Cc2ccsc2)CC1 ZINC000963907200 1325430100 /nfs/dbraw/zinc/43/01/00/1325430100.db2.gz DGYAMHMFMJWPAS-ZLPCBKJTSA-N 2 1 349.544 3.092 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC000963908914 1325432710 /nfs/dbraw/zinc/43/27/10/1325432710.db2.gz ZLCZXZMRPSOKNR-IVMQYODDSA-N 2 1 349.563 3.266 20 0 EGADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000964186528 1325485919 /nfs/dbraw/zinc/48/59/19/1325485919.db2.gz UDRDEDKJOSCANE-XEVCZEQESA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)CC[N@H+]1C ZINC000857136034 1325578494 /nfs/dbraw/zinc/57/84/94/1325578494.db2.gz ZLTYBUHBZSYORS-AHRSYUTCSA-N 2 1 343.515 3.051 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CC[NH+]1C ZINC000857136034 1325578498 /nfs/dbraw/zinc/57/84/98/1325578498.db2.gz ZLTYBUHBZSYORS-AHRSYUTCSA-N 2 1 343.515 3.051 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CC[NH+]1C ZINC000857136034 1325578504 /nfs/dbraw/zinc/57/85/04/1325578504.db2.gz ZLTYBUHBZSYORS-AHRSYUTCSA-N 2 1 343.515 3.051 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2ccsc2)C1 ZINC001027432780 1327671646 /nfs/dbraw/zinc/67/16/46/1327671646.db2.gz KLCFFHRRJMPSPF-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccsc2)C1 ZINC001027432780 1327671654 /nfs/dbraw/zinc/67/16/54/1327671654.db2.gz KLCFFHRRJMPSPF-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccsc2)C1 ZINC001027432780 1327671664 /nfs/dbraw/zinc/67/16/64/1327671664.db2.gz KLCFFHRRJMPSPF-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027433594 1327673276 /nfs/dbraw/zinc/67/32/76/1327673276.db2.gz BQXMJELFFPNYRD-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027433594 1327673282 /nfs/dbraw/zinc/67/32/82/1327673282.db2.gz BQXMJELFFPNYRD-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027433594 1327673295 /nfs/dbraw/zinc/67/32/95/1327673295.db2.gz BQXMJELFFPNYRD-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCCC2)C1)C1CC1 ZINC001027445107 1327685734 /nfs/dbraw/zinc/68/57/34/1327685734.db2.gz ZWENOCQPXFEIQJ-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cnnn1-c1ccccc1 ZINC000926739134 1327692363 /nfs/dbraw/zinc/69/23/63/1327692363.db2.gz OOUHOCMRQMUZLV-FUHWJXTLSA-N 2 1 339.487 3.040 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cnnn1-c1ccccc1 ZINC000926739134 1327692374 /nfs/dbraw/zinc/69/23/74/1327692374.db2.gz OOUHOCMRQMUZLV-FUHWJXTLSA-N 2 1 339.487 3.040 20 0 EGADMP Fc1cccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCC2)c1 ZINC000926923559 1327778866 /nfs/dbraw/zinc/77/88/66/1327778866.db2.gz RSXYYDRTPXSQPP-IBGZPJMESA-N 2 1 332.463 3.090 20 0 EGADMP CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542938 1327846600 /nfs/dbraw/zinc/84/66/00/1327846600.db2.gz VOXRKOSXCWALAU-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027542938 1327846609 /nfs/dbraw/zinc/84/66/09/1327846609.db2.gz VOXRKOSXCWALAU-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027542938 1327846614 /nfs/dbraw/zinc/84/66/14/1327846614.db2.gz VOXRKOSXCWALAU-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2=CCCCC2)C1)[NH+](C)C ZINC001027563618 1327885936 /nfs/dbraw/zinc/88/59/36/1327885936.db2.gz LMYUWAUIAVNYOB-VQTJNVASSA-N 2 1 349.563 3.386 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C)c(C)c2)C1)[NH+](C)C ZINC001027578047 1327912933 /nfs/dbraw/zinc/91/29/33/1327912933.db2.gz ARPXMPBVXXMSBF-PMACEKPBSA-N 2 1 345.531 3.066 20 0 EGADMP C[N@@H+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027604327 1327960142 /nfs/dbraw/zinc/96/01/42/1327960142.db2.gz OUXGCCWTVZPGIZ-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001027919609 1328397195 /nfs/dbraw/zinc/39/71/95/1328397195.db2.gz YOLIMBFFBOWCTF-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001027919609 1328397202 /nfs/dbraw/zinc/39/72/02/1328397202.db2.gz YOLIMBFFBOWCTF-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CC2(CCC2)C1 ZINC001027919609 1328397207 /nfs/dbraw/zinc/39/72/07/1328397207.db2.gz YOLIMBFFBOWCTF-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCC(C)(C)CC1 ZINC001027971668 1328445307 /nfs/dbraw/zinc/44/53/07/1328445307.db2.gz JUUKBUMYYXXHHW-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001027971668 1328445310 /nfs/dbraw/zinc/44/53/10/1328445310.db2.gz JUUKBUMYYXXHHW-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCC(C)(C)CC1 ZINC001027971668 1328445314 /nfs/dbraw/zinc/44/53/14/1328445314.db2.gz JUUKBUMYYXXHHW-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001027986399 1328457248 /nfs/dbraw/zinc/45/72/48/1328457248.db2.gz WCDXHDIPSDDZBO-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001027986399 1328457255 /nfs/dbraw/zinc/45/72/55/1328457255.db2.gz WCDXHDIPSDDZBO-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC001027986399 1328457265 /nfs/dbraw/zinc/45/72/65/1328457265.db2.gz WCDXHDIPSDDZBO-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001027986421 1328458474 /nfs/dbraw/zinc/45/84/74/1328458474.db2.gz WUSQNDCLYJUHSV-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001027986421 1328458481 /nfs/dbraw/zinc/45/84/81/1328458481.db2.gz WUSQNDCLYJUHSV-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001027986421 1328458495 /nfs/dbraw/zinc/45/84/95/1328458495.db2.gz WUSQNDCLYJUHSV-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP COCCC[NH+]1CCC([NH2+]Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000865444114 1329698212 /nfs/dbraw/zinc/69/82/12/1329698212.db2.gz SGYXBLZVMYBAKO-UHFFFAOYSA-N 2 1 334.504 3.454 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000865451252 1329699101 /nfs/dbraw/zinc/69/91/01/1329699101.db2.gz ZZZMOCZKTHAELX-IBGZPJMESA-N 2 1 343.515 3.133 20 0 EGADMP Cc1nc([C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)no1 ZINC000931936319 1329772895 /nfs/dbraw/zinc/77/28/95/1329772895.db2.gz XMTRODPYCODIFY-LJQANCHMSA-N 2 1 340.471 3.353 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CO)c1ccccc1C(F)(F)F ZINC000933242221 1329873861 /nfs/dbraw/zinc/87/38/61/1329873861.db2.gz VCIQTZRWPMHUJA-MRXNPFEDSA-N 2 1 341.377 3.314 20 0 EGADMP CN(CCC[NH+]1CCCC1)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000934084854 1329945648 /nfs/dbraw/zinc/94/56/48/1329945648.db2.gz IPQVNHXCWNKQIY-UHFFFAOYSA-N 2 1 345.491 3.022 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2c(Cl)cncc2Cl)C1 ZINC000866668472 1330139586 /nfs/dbraw/zinc/13/95/86/1330139586.db2.gz DONGRDRCNTUWEL-LYRGGWFBSA-N 2 1 344.286 3.249 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2c(Cl)cncc2Cl)C1 ZINC000866668472 1330139587 /nfs/dbraw/zinc/13/95/87/1330139587.db2.gz DONGRDRCNTUWEL-LYRGGWFBSA-N 2 1 344.286 3.249 20 0 EGADMP CC1(C)CC[NH2+]CC[N@@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000866699399 1330142039 /nfs/dbraw/zinc/14/20/39/1330142039.db2.gz NDOFCFCLLVKFIN-UHFFFAOYSA-N 2 1 325.456 3.235 20 0 EGADMP CC1(C)CC[NH2+]CC[N@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000866699399 1330142042 /nfs/dbraw/zinc/14/20/42/1330142042.db2.gz NDOFCFCLLVKFIN-UHFFFAOYSA-N 2 1 325.456 3.235 20 0 EGADMP Cc1nc[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)CC1(C)C ZINC000941186163 1331376148 /nfs/dbraw/zinc/37/61/48/1331376148.db2.gz DQWAMKYAEARQFC-SFHVURJKSA-N 2 1 346.519 3.058 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000942302117 1331898268 /nfs/dbraw/zinc/89/82/68/1331898268.db2.gz IWSIHVQSAXHBIT-QAPCUYQASA-N 2 1 342.487 3.211 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942530481 1331958867 /nfs/dbraw/zinc/95/88/67/1331958867.db2.gz SLCSHNJFVRHUEA-FXAWDEMLSA-N 2 1 345.531 3.031 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCC2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942822493 1332042609 /nfs/dbraw/zinc/04/26/09/1332042609.db2.gz LRDKINLRNXYKDG-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCC2)CC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942822493 1332042612 /nfs/dbraw/zinc/04/26/12/1332042612.db2.gz LRDKINLRNXYKDG-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCC2)CC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942822493 1332042615 /nfs/dbraw/zinc/04/26/15/1332042615.db2.gz LRDKINLRNXYKDG-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943286787 1332138361 /nfs/dbraw/zinc/13/83/61/1332138361.db2.gz GHUBIKAHXBHTGZ-WMZOPIPTSA-N 2 1 348.535 3.269 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943286787 1332138364 /nfs/dbraw/zinc/13/83/64/1332138364.db2.gz GHUBIKAHXBHTGZ-WMZOPIPTSA-N 2 1 348.535 3.269 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCC2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943287074 1332138480 /nfs/dbraw/zinc/13/84/80/1332138480.db2.gz HSGKVDNGVMJOAH-XLIONFOSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943331993 1332150936 /nfs/dbraw/zinc/15/09/36/1332150936.db2.gz BEIFMBZMSUJRCY-XLIONFOSSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945028267 1332481083 /nfs/dbraw/zinc/48/10/83/1332481083.db2.gz GVWRDZNQIBRZMO-PXNSSMCTSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](CCC(C)(C)C)C[C@H]2CC1 ZINC000946779093 1332897848 /nfs/dbraw/zinc/89/78/48/1332897848.db2.gz FZPXXQQDCNDRQG-QRVBRYPASA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2CC1 ZINC000946779093 1332897851 /nfs/dbraw/zinc/89/78/51/1332897851.db2.gz FZPXXQQDCNDRQG-QRVBRYPASA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]2CC1 ZINC000946779093 1332897854 /nfs/dbraw/zinc/89/78/54/1332897854.db2.gz FZPXXQQDCNDRQG-QRVBRYPASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946808691 1332905126 /nfs/dbraw/zinc/90/51/26/1332905126.db2.gz RLRZMJYPWXXSSY-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946808691 1332905130 /nfs/dbraw/zinc/90/51/30/1332905130.db2.gz RLRZMJYPWXXSSY-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946808691 1332905134 /nfs/dbraw/zinc/90/51/34/1332905134.db2.gz RLRZMJYPWXXSSY-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1CCC(C)(C)C ZINC000947551545 1333169126 /nfs/dbraw/zinc/16/91/26/1333169126.db2.gz MHBHFDJUXGVJBH-RDJZCZTQSA-N 2 1 342.487 3.353 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC000947663908 1333214435 /nfs/dbraw/zinc/21/44/35/1333214435.db2.gz ZQHBLRMPCDDKOH-CRAIPNDOSA-N 2 1 349.519 3.360 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CC1CC(C)(C)C1 ZINC000947726534 1333241993 /nfs/dbraw/zinc/24/19/93/1333241993.db2.gz PSRCTECVUDUKBJ-WMZOPIPTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC1CC(C)(C)C1 ZINC000947726534 1333241996 /nfs/dbraw/zinc/24/19/96/1333241996.db2.gz PSRCTECVUDUKBJ-WMZOPIPTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CC1CC(C)(C)C1 ZINC000947726534 1333241997 /nfs/dbraw/zinc/24/19/97/1333241997.db2.gz PSRCTECVUDUKBJ-WMZOPIPTSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)[C@H](C)C1 ZINC000948044326 1333351901 /nfs/dbraw/zinc/35/19/01/1333351901.db2.gz PDVCPVSQOYUXII-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)[C@H](C)C1 ZINC000948044326 1333351904 /nfs/dbraw/zinc/35/19/04/1333351904.db2.gz PDVCPVSQOYUXII-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948435689 1333523975 /nfs/dbraw/zinc/52/39/75/1333523975.db2.gz NVMSQGJSLVDTEG-UXHICEINSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435689 1333523977 /nfs/dbraw/zinc/52/39/77/1333523977.db2.gz NVMSQGJSLVDTEG-UXHICEINSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435689 1333523982 /nfs/dbraw/zinc/52/39/82/1333523982.db2.gz NVMSQGJSLVDTEG-UXHICEINSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948574504 1333582888 /nfs/dbraw/zinc/58/28/88/1333582888.db2.gz GXEOCAFXYRKNIH-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948574504 1333582891 /nfs/dbraw/zinc/58/28/91/1333582891.db2.gz GXEOCAFXYRKNIH-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948574504 1333582894 /nfs/dbraw/zinc/58/28/94/1333582894.db2.gz GXEOCAFXYRKNIH-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000948643781 1333609406 /nfs/dbraw/zinc/60/94/06/1333609406.db2.gz ZITJQCKVMUDDBO-IBGZPJMESA-N 2 1 345.531 3.127 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CCC3CC3)CC2)C1 ZINC000948711366 1333642501 /nfs/dbraw/zinc/64/25/01/1333642501.db2.gz OVNHKZHXGONURH-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CCC[N@H+](CCC3CC3)CC2)C1 ZINC000948711366 1333642505 /nfs/dbraw/zinc/64/25/05/1333642505.db2.gz OVNHKZHXGONURH-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CCC[N@@H+](CCC3CC3)CC2)C1 ZINC000948711366 1333642510 /nfs/dbraw/zinc/64/25/10/1333642510.db2.gz OVNHKZHXGONURH-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000948743575 1333655385 /nfs/dbraw/zinc/65/53/85/1333655385.db2.gz YIBYKRBTLJBIEM-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000948771834 1333672098 /nfs/dbraw/zinc/67/20/98/1333672098.db2.gz QPVASLKQUZMYBB-FQEVSTJZSA-N 2 1 345.531 3.126 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000948854358 1333709841 /nfs/dbraw/zinc/70/98/41/1333709841.db2.gz LRTIREFVFAMUGK-RTBURBONSA-N 2 1 343.515 3.075 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1C[NH+](CCC(C)C)C1 ZINC000950331787 1334043471 /nfs/dbraw/zinc/04/34/71/1334043471.db2.gz VSEZNAGNXVMVPL-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC)C2C[NH+](CC3CC(C)(C)C3)C2)C1 ZINC000951212198 1334209483 /nfs/dbraw/zinc/20/94/83/1334209483.db2.gz HVOCPULECCCLSF-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000968732814 1336030399 /nfs/dbraw/zinc/03/03/99/1336030399.db2.gz SUHKKFRCESPAMN-SJLPKXTDSA-N 2 1 346.519 3.167 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC(C)C ZINC000968882438 1336079133 /nfs/dbraw/zinc/07/91/33/1336079133.db2.gz NTTBHHBOCMSOHO-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC(C)C ZINC000968882438 1336079134 /nfs/dbraw/zinc/07/91/34/1336079134.db2.gz NTTBHHBOCMSOHO-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCC(C)C ZINC000968882438 1336079136 /nfs/dbraw/zinc/07/91/36/1336079136.db2.gz NTTBHHBOCMSOHO-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC000968904031 1336085462 /nfs/dbraw/zinc/08/54/62/1336085462.db2.gz HDOCECLNTJVFJL-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000968916169 1336087509 /nfs/dbraw/zinc/08/75/09/1336087509.db2.gz XYAVSRHVLQZVTA-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000968915762 1336087630 /nfs/dbraw/zinc/08/76/30/1336087630.db2.gz PTWUJPGMWOSBJL-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1Cc1ccccc1 ZINC000968920842 1336089749 /nfs/dbraw/zinc/08/97/49/1336089749.db2.gz ZQPJWUGELWWMNB-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1Cc1ccccc1 ZINC000968920842 1336089750 /nfs/dbraw/zinc/08/97/50/1336089750.db2.gz ZQPJWUGELWWMNB-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000968920842 1336089753 /nfs/dbraw/zinc/08/97/53/1336089753.db2.gz ZQPJWUGELWWMNB-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1Cc1ccccc1 ZINC000968920842 1336089756 /nfs/dbraw/zinc/08/97/56/1336089756.db2.gz ZQPJWUGELWWMNB-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936453 1336095508 /nfs/dbraw/zinc/09/55/08/1336095508.db2.gz IGKQMYLEWTXZEV-SJLPKXTDSA-N 2 1 342.487 3.355 20 0 EGADMP O=C(NC[C@H]1CCCCC[N@H+]1CC1CCC1)c1ccn2c[nH+]cc2c1 ZINC000968936511 1336096037 /nfs/dbraw/zinc/09/60/37/1336096037.db2.gz KDKQHZPWDQGEBP-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000968967512 1336104534 /nfs/dbraw/zinc/10/45/34/1336104534.db2.gz SCLNBXHVQXBXGG-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000969002521 1336115592 /nfs/dbraw/zinc/11/55/92/1336115592.db2.gz VNXUSKAKKUBTRH-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000969002521 1336115594 /nfs/dbraw/zinc/11/55/94/1336115594.db2.gz VNXUSKAKKUBTRH-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000969002521 1336115596 /nfs/dbraw/zinc/11/55/96/1336115596.db2.gz VNXUSKAKKUBTRH-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000969170061 1336170557 /nfs/dbraw/zinc/17/05/57/1336170557.db2.gz NAOWBNGVVVIXEZ-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001005580485 1336375204 /nfs/dbraw/zinc/37/52/04/1336375204.db2.gz HCGOZTFJQRRFON-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001005592419 1336377002 /nfs/dbraw/zinc/37/70/02/1336377002.db2.gz MEIUBCZPBJZQMD-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001006001477 1336436152 /nfs/dbraw/zinc/43/61/52/1336436152.db2.gz OBICSGRRJPSREO-YLJYHZDGSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001005997719 1336436220 /nfs/dbraw/zinc/43/62/20/1336436220.db2.gz PUDUWELVPSUXQG-SFHVURJKSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001006291682 1336484121 /nfs/dbraw/zinc/48/41/21/1336484121.db2.gz HUIUEMCKKYDWKH-ROUUACIJSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2csc(C)c2)C1 ZINC001007456937 1336650228 /nfs/dbraw/zinc/65/02/28/1336650228.db2.gz IADJFOPSCVOPHW-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2csc(C)c2)C1 ZINC001007456937 1336650230 /nfs/dbraw/zinc/65/02/30/1336650230.db2.gz IADJFOPSCVOPHW-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2csc(C)c2)C1 ZINC001007456937 1336650232 /nfs/dbraw/zinc/65/02/32/1336650232.db2.gz IADJFOPSCVOPHW-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2csc(C)c2)C1 ZINC001007456937 1336650233 /nfs/dbraw/zinc/65/02/33/1336650233.db2.gz IADJFOPSCVOPHW-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCCC2CCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001007619474 1336678957 /nfs/dbraw/zinc/67/89/57/1336678957.db2.gz NHJBYHOURWRWOG-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001007648879 1336684150 /nfs/dbraw/zinc/68/41/50/1336684150.db2.gz VFUQUJYUEXHRSZ-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001007648879 1336684152 /nfs/dbraw/zinc/68/41/52/1336684152.db2.gz VFUQUJYUEXHRSZ-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001007648879 1336684157 /nfs/dbraw/zinc/68/41/57/1336684157.db2.gz VFUQUJYUEXHRSZ-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CCC[N@@H+](CC3CCCC3)C2)ccc2c[nH+]cn21 ZINC001007725082 1336691250 /nfs/dbraw/zinc/69/12/50/1336691250.db2.gz YETMUPFHIDKSEO-QGZVFWFLSA-N 2 1 340.471 3.027 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001007748991 1336694255 /nfs/dbraw/zinc/69/42/55/1336694255.db2.gz TVYOQUCECLGWQL-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001007748991 1336694258 /nfs/dbraw/zinc/69/42/58/1336694258.db2.gz TVYOQUCECLGWQL-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001007748991 1336694259 /nfs/dbraw/zinc/69/42/59/1336694259.db2.gz TVYOQUCECLGWQL-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008053489 1336759853 /nfs/dbraw/zinc/75/98/53/1336759853.db2.gz USQFUVSVGZJFGC-IEBWSBKVSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001008162939 1336782860 /nfs/dbraw/zinc/78/28/60/1336782860.db2.gz NORIMXFUCRGWMV-IBGZPJMESA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008274818 1336811790 /nfs/dbraw/zinc/81/17/90/1336811790.db2.gz GMMFSUBYBJIMJW-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008274818 1336811792 /nfs/dbraw/zinc/81/17/92/1336811792.db2.gz GMMFSUBYBJIMJW-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008274818 1336811794 /nfs/dbraw/zinc/81/17/94/1336811794.db2.gz GMMFSUBYBJIMJW-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001008747605 1336919638 /nfs/dbraw/zinc/91/96/38/1336919638.db2.gz MGSMFFZUHNZJKB-SJLPKXTDSA-N 2 1 349.544 3.093 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001008747605 1336919641 /nfs/dbraw/zinc/91/96/41/1336919641.db2.gz MGSMFFZUHNZJKB-SJLPKXTDSA-N 2 1 349.544 3.093 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001008772863 1336923658 /nfs/dbraw/zinc/92/36/58/1336923658.db2.gz WSDWRXSYELTTTK-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001008772863 1336923659 /nfs/dbraw/zinc/92/36/59/1336923659.db2.gz WSDWRXSYELTTTK-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001008772863 1336923660 /nfs/dbraw/zinc/92/36/60/1336923660.db2.gz WSDWRXSYELTTTK-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(Cc2ccsc2)C1 ZINC001008773634 1336924663 /nfs/dbraw/zinc/92/46/63/1336924663.db2.gz YYESRWLVUSFACS-ZWKOTPCHSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccsc2)C1 ZINC001008773634 1336924666 /nfs/dbraw/zinc/92/46/66/1336924666.db2.gz YYESRWLVUSFACS-ZWKOTPCHSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccsc2)C1 ZINC001008773634 1336924668 /nfs/dbraw/zinc/92/46/68/1336924668.db2.gz YYESRWLVUSFACS-ZWKOTPCHSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC001008773634 1336924673 /nfs/dbraw/zinc/92/46/73/1336924673.db2.gz YYESRWLVUSFACS-ZWKOTPCHSA-N 2 1 349.544 3.092 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001008978137 1336951142 /nfs/dbraw/zinc/95/11/42/1336951142.db2.gz DNEYEUZJTBCLFE-ICSRJNTNSA-N 2 1 343.515 3.060 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)C)C1 ZINC001009167886 1336979754 /nfs/dbraw/zinc/97/97/54/1336979754.db2.gz JYRBUOXZDMFEGP-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC001009167886 1336979756 /nfs/dbraw/zinc/97/97/56/1336979756.db2.gz JYRBUOXZDMFEGP-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001009167886 1336979760 /nfs/dbraw/zinc/97/97/60/1336979760.db2.gz JYRBUOXZDMFEGP-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001009635817 1337050147 /nfs/dbraw/zinc/05/01/47/1337050147.db2.gz MMZJQQVHNQVQRF-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001009635817 1337050149 /nfs/dbraw/zinc/05/01/49/1337050149.db2.gz MMZJQQVHNQVQRF-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001009635817 1337050151 /nfs/dbraw/zinc/05/01/51/1337050151.db2.gz MMZJQQVHNQVQRF-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)CC[N@H+]1C ZINC001014505170 1337801403 /nfs/dbraw/zinc/80/14/03/1337801403.db2.gz AFUSXKMHGTXEKJ-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CC3CCC(C)(C)CC3)C2)CC[NH+]1C ZINC001014505170 1337801407 /nfs/dbraw/zinc/80/14/07/1337801407.db2.gz AFUSXKMHGTXEKJ-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)CC[NH+]1C ZINC001014505170 1337801413 /nfs/dbraw/zinc/80/14/13/1337801413.db2.gz AFUSXKMHGTXEKJ-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001014607730 1337846299 /nfs/dbraw/zinc/84/62/99/1337846299.db2.gz OFHWIYRKQRPYFD-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001014607730 1337846301 /nfs/dbraw/zinc/84/63/01/1337846301.db2.gz OFHWIYRKQRPYFD-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001014706753 1337876959 /nfs/dbraw/zinc/87/69/59/1337876959.db2.gz ROMQQMRWDNMOJV-UXHICEINSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001014706753 1337876962 /nfs/dbraw/zinc/87/69/62/1337876962.db2.gz ROMQQMRWDNMOJV-UXHICEINSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001014706753 1337876964 /nfs/dbraw/zinc/87/69/64/1337876964.db2.gz ROMQQMRWDNMOJV-UXHICEINSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014964736 1337970588 /nfs/dbraw/zinc/97/05/88/1337970588.db2.gz RHHGUFNLNXOPSO-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001014964736 1337970591 /nfs/dbraw/zinc/97/05/91/1337970591.db2.gz RHHGUFNLNXOPSO-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001014964736 1337970594 /nfs/dbraw/zinc/97/05/94/1337970594.db2.gz RHHGUFNLNXOPSO-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015110541 1338022663 /nfs/dbraw/zinc/02/26/63/1338022663.db2.gz UXHFEBBLJFVQPF-QUCCMNQESA-N 2 1 348.450 3.290 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001015386420 1338119779 /nfs/dbraw/zinc/11/97/79/1338119779.db2.gz HJZKFYNJQWKQDB-WOJBJXKFSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)C2)cc1 ZINC001015712634 1338271605 /nfs/dbraw/zinc/27/16/05/1338271605.db2.gz FKURRUWIBYENHU-IBGZPJMESA-N 2 1 345.531 3.031 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001015977349 1338389037 /nfs/dbraw/zinc/38/90/37/1338389037.db2.gz UEMKLPJBTQSEMU-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001015977349 1338389038 /nfs/dbraw/zinc/38/90/38/1338389038.db2.gz UEMKLPJBTQSEMU-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001015977349 1338389040 /nfs/dbraw/zinc/38/90/40/1338389040.db2.gz UEMKLPJBTQSEMU-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016661590 1338682141 /nfs/dbraw/zinc/68/21/41/1338682141.db2.gz GOMINQGNTXNKMC-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(C)C)CC2 ZINC001016923833 1338771552 /nfs/dbraw/zinc/77/15/52/1338771552.db2.gz NHUFCHDEWZXELW-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016924806 1338772464 /nfs/dbraw/zinc/77/24/64/1338772464.db2.gz ZWANMUYTYRFGNM-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001017129111 1338884877 /nfs/dbraw/zinc/88/48/77/1338884877.db2.gz XVQMKPOVMWYCMY-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001017129111 1338884882 /nfs/dbraw/zinc/88/48/82/1338884882.db2.gz XVQMKPOVMWYCMY-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001017129111 1338884887 /nfs/dbraw/zinc/88/48/87/1338884887.db2.gz XVQMKPOVMWYCMY-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH+](C)CC3CCCC3)C2)CC[N@H+]1C ZINC001017134829 1338887972 /nfs/dbraw/zinc/88/79/72/1338887972.db2.gz YXOCNYGQHUEZKV-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[N@H+](C)CC3CCCC3)C2)CC[NH+]1C ZINC001017134829 1338887977 /nfs/dbraw/zinc/88/79/77/1338887977.db2.gz YXOCNYGQHUEZKV-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[N@@H+](C)CC3CCCC3)C2)CC[NH+]1C ZINC001017134829 1338887983 /nfs/dbraw/zinc/88/79/83/1338887983.db2.gz YXOCNYGQHUEZKV-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001017153456 1338904385 /nfs/dbraw/zinc/90/43/85/1338904385.db2.gz PVRLEPYFFTUDAG-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001017153456 1338904388 /nfs/dbraw/zinc/90/43/88/1338904388.db2.gz PVRLEPYFFTUDAG-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001017153456 1338904391 /nfs/dbraw/zinc/90/43/91/1338904391.db2.gz PVRLEPYFFTUDAG-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001017658617 1339385465 /nfs/dbraw/zinc/38/54/65/1339385465.db2.gz IFURMKBHCUYYCY-ZRNYENFQSA-N 2 1 347.547 3.115 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001017658617 1339385468 /nfs/dbraw/zinc/38/54/68/1339385468.db2.gz IFURMKBHCUYYCY-ZRNYENFQSA-N 2 1 347.547 3.115 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001017658617 1339385470 /nfs/dbraw/zinc/38/54/70/1339385470.db2.gz IFURMKBHCUYYCY-ZRNYENFQSA-N 2 1 347.547 3.115 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176735 1339522655 /nfs/dbraw/zinc/52/26/55/1339522655.db2.gz OQOOWLZFNKGGBT-WCIQWLHISA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001018306064 1339570416 /nfs/dbraw/zinc/57/04/16/1339570416.db2.gz PBSQPXSBMDGMQZ-KDURUIRLSA-N 2 1 343.515 3.083 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028094390 1340422847 /nfs/dbraw/zinc/42/28/47/1340422847.db2.gz YPMLBNAOJFARBU-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CC1CCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028094390 1340422848 /nfs/dbraw/zinc/42/28/48/1340422848.db2.gz YPMLBNAOJFARBU-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CC1CCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028094390 1340422852 /nfs/dbraw/zinc/42/28/52/1340422852.db2.gz YPMLBNAOJFARBU-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCCC2CCCC2)CC[N@H+]1C ZINC001028097808 1340424632 /nfs/dbraw/zinc/42/46/32/1340424632.db2.gz FURHDVJKXIPLIT-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCCC2CCCC2)CC[NH+]1C ZINC001028097808 1340424633 /nfs/dbraw/zinc/42/46/33/1340424633.db2.gz FURHDVJKXIPLIT-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCCC2CCCC2)CC[NH+]1C ZINC001028097808 1340424634 /nfs/dbraw/zinc/42/46/34/1340424634.db2.gz FURHDVJKXIPLIT-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001028104547 1340428090 /nfs/dbraw/zinc/42/80/90/1340428090.db2.gz JYCXEWFEHRSHEO-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001028104547 1340428092 /nfs/dbraw/zinc/42/80/92/1340428092.db2.gz JYCXEWFEHRSHEO-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001028538061 1340693568 /nfs/dbraw/zinc/69/35/68/1340693568.db2.gz ZAYJJPXGRREECS-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001028538061 1340693572 /nfs/dbraw/zinc/69/35/72/1340693572.db2.gz ZAYJJPXGRREECS-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001028538061 1340693575 /nfs/dbraw/zinc/69/35/75/1340693575.db2.gz ZAYJJPXGRREECS-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CCC3CCCCCC3)C2)CC1 ZINC001028779011 1340809731 /nfs/dbraw/zinc/80/97/31/1340809731.db2.gz RRDOSYGCMGAHNN-IBGZPJMESA-N 2 1 349.563 3.127 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001029003254 1340905458 /nfs/dbraw/zinc/90/54/58/1340905458.db2.gz JRSLDZOMJJUCCM-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001029003254 1340905459 /nfs/dbraw/zinc/90/54/59/1340905459.db2.gz JRSLDZOMJJUCCM-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001029003254 1340905460 /nfs/dbraw/zinc/90/54/60/1340905460.db2.gz JRSLDZOMJJUCCM-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CC=C(C)C)C2)o1 ZINC001029011599 1340908356 /nfs/dbraw/zinc/90/83/56/1340908356.db2.gz APRRWJQLKREPQQ-QGZVFWFLSA-N 2 1 347.503 3.139 20 0 EGADMP C[C@@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001029065558 1340922159 /nfs/dbraw/zinc/92/21/59/1340922159.db2.gz HSJUFOOPCAQSPG-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001029065557 1340922220 /nfs/dbraw/zinc/92/22/20/1340922220.db2.gz HSJUFOOPCAQSPG-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001029108406 1340931751 /nfs/dbraw/zinc/93/17/51/1340931751.db2.gz HLVKODTUSSRUDQ-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1 ZINC001029108193 1340931765 /nfs/dbraw/zinc/93/17/65/1340931765.db2.gz XXLZWLSWZYVDDR-PXNSSMCTSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001029113562 1340933269 /nfs/dbraw/zinc/93/32/69/1340933269.db2.gz LRNFZTHJSRVMGC-MRXNPFEDSA-N 2 1 337.552 3.265 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([C@H](C)[NH2+]CC3CCC3)CC2)C1 ZINC001029133604 1340939276 /nfs/dbraw/zinc/93/92/76/1340939276.db2.gz VNUOLRFATGPKEM-FXAWDEMLSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001029306218 1340969673 /nfs/dbraw/zinc/96/96/73/1340969673.db2.gz MQVHKNJMIYGNQX-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001029306218 1340969674 /nfs/dbraw/zinc/96/96/74/1340969674.db2.gz MQVHKNJMIYGNQX-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001029306218 1340969675 /nfs/dbraw/zinc/96/96/75/1340969675.db2.gz MQVHKNJMIYGNQX-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1)[NH+]1CCCCC1 ZINC001029308809 1340969917 /nfs/dbraw/zinc/96/99/17/1340969917.db2.gz VUXVGWUTTURETP-KDURUIRLSA-N 2 1 347.547 3.116 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C ZINC001029314449 1340970556 /nfs/dbraw/zinc/97/05/56/1340970556.db2.gz UAUILTSELXXLIL-KURKYZTESA-N 2 1 344.503 3.038 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001029314449 1340970557 /nfs/dbraw/zinc/97/05/57/1340970557.db2.gz UAUILTSELXXLIL-KURKYZTESA-N 2 1 344.503 3.038 20 0 EGADMP C[N@@H+](CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCCC1)C1CCC1 ZINC001029339883 1340974083 /nfs/dbraw/zinc/97/40/83/1340974083.db2.gz NWBZPBKDMAOPEB-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1)C1CCC1 ZINC001029339883 1340974084 /nfs/dbraw/zinc/97/40/84/1340974084.db2.gz NWBZPBKDMAOPEB-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1)C1CCC1 ZINC001029339883 1340974085 /nfs/dbraw/zinc/97/40/85/1340974085.db2.gz NWBZPBKDMAOPEB-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001029442616 1340991158 /nfs/dbraw/zinc/99/11/58/1340991158.db2.gz JAYJZUUFGGLZLC-CALCHBBNSA-N 2 1 347.503 3.066 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001029442616 1340991159 /nfs/dbraw/zinc/99/11/59/1340991159.db2.gz JAYJZUUFGGLZLC-CALCHBBNSA-N 2 1 347.503 3.066 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001029474035 1340998109 /nfs/dbraw/zinc/99/81/09/1340998109.db2.gz FIZQLLMBRHQEKY-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001029474035 1340998110 /nfs/dbraw/zinc/99/81/10/1340998110.db2.gz FIZQLLMBRHQEKY-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001029474035 1340998111 /nfs/dbraw/zinc/99/81/11/1340998111.db2.gz FIZQLLMBRHQEKY-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001029595584 1341018621 /nfs/dbraw/zinc/01/86/21/1341018621.db2.gz MZUMCKYUTJOEQD-LFGUQSLTSA-N 2 1 347.547 3.115 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029750981 1341063412 /nfs/dbraw/zinc/06/34/12/1341063412.db2.gz YIQFBWQUJGULET-MRXNPFEDSA-N 2 1 349.544 3.004 20 0 EGADMP C[N@@H+](C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1)CC1CCCCCC1 ZINC001029887525 1341105397 /nfs/dbraw/zinc/10/53/97/1341105397.db2.gz MZZUCGOJPSMBLN-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)CC1CCCCCC1 ZINC001029887525 1341105398 /nfs/dbraw/zinc/10/53/98/1341105398.db2.gz MZZUCGOJPSMBLN-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)CC1CCCCCC1 ZINC001029887525 1341105399 /nfs/dbraw/zinc/10/53/99/1341105399.db2.gz MZZUCGOJPSMBLN-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@@H+](CC1CCCCC1)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001029973450 1341140275 /nfs/dbraw/zinc/14/02/75/1341140275.db2.gz BWZQXEYONUOUMG-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001029973450 1341140276 /nfs/dbraw/zinc/14/02/76/1341140276.db2.gz BWZQXEYONUOUMG-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001029973450 1341140277 /nfs/dbraw/zinc/14/02/77/1341140277.db2.gz BWZQXEYONUOUMG-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001030013763 1341158053 /nfs/dbraw/zinc/15/80/53/1341158053.db2.gz SHDUIVNSEOOADT-SFHVURJKSA-N 2 1 343.515 3.014 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1)[NH+]1CCCC1 ZINC001030014556 1341158526 /nfs/dbraw/zinc/15/85/26/1341158526.db2.gz AECQMHKPFNFRFQ-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCCCCC2)C1 ZINC001031806583 1341404089 /nfs/dbraw/zinc/40/40/89/1341404089.db2.gz HOCLVVALRVKATL-FQEVSTJZSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](CC3CCCCCC3)C2)C1 ZINC001031919067 1341421921 /nfs/dbraw/zinc/42/19/21/1341421921.db2.gz MCSKJONMEIICLU-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCC1)[NH+]1CCCCCC1 ZINC001032664800 1341575810 /nfs/dbraw/zinc/57/58/10/1341575810.db2.gz SQQRKQQFSJJVLI-HOJAQTOUSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC(C(C)(C)C)CC2)C1 ZINC001032838343 1341631058 /nfs/dbraw/zinc/63/10/58/1341631058.db2.gz MISAPURZOQORNS-CSODTCANSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC001032838343 1341631059 /nfs/dbraw/zinc/63/10/59/1341631059.db2.gz MISAPURZOQORNS-CSODTCANSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC001032838343 1341631061 /nfs/dbraw/zinc/63/10/61/1341631061.db2.gz MISAPURZOQORNS-CSODTCANSA-N 2 1 349.563 3.124 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033074933 1341716571 /nfs/dbraw/zinc/71/65/71/1341716571.db2.gz BYYIGQNSHPJDNX-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033125184 1341733454 /nfs/dbraw/zinc/73/34/54/1341733454.db2.gz AIPVZRZLLUTGLK-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033125184 1341733457 /nfs/dbraw/zinc/73/34/57/1341733457.db2.gz AIPVZRZLLUTGLK-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033125184 1341733459 /nfs/dbraw/zinc/73/34/59/1341733459.db2.gz AIPVZRZLLUTGLK-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033147124 1341739405 /nfs/dbraw/zinc/73/94/05/1341739405.db2.gz SVANWFSEPWBZHC-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033147124 1341739408 /nfs/dbraw/zinc/73/94/08/1341739408.db2.gz SVANWFSEPWBZHC-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033147124 1341739410 /nfs/dbraw/zinc/73/94/10/1341739410.db2.gz SVANWFSEPWBZHC-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CCCCCC3)C2)CC[N@H+]1C ZINC001033357750 1341795762 /nfs/dbraw/zinc/79/57/62/1341795762.db2.gz BVASHQPSYXXZPX-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001033357750 1341795763 /nfs/dbraw/zinc/79/57/63/1341795763.db2.gz BVASHQPSYXXZPX-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001033357750 1341795764 /nfs/dbraw/zinc/79/57/64/1341795764.db2.gz BVASHQPSYXXZPX-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001033390680 1341808792 /nfs/dbraw/zinc/80/87/92/1341808792.db2.gz MELXGDJJEXBQJW-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033426001 1341822149 /nfs/dbraw/zinc/82/21/49/1341822149.db2.gz MSSVNTMQTHZNRN-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033426001 1341822151 /nfs/dbraw/zinc/82/21/51/1341822151.db2.gz MSSVNTMQTHZNRN-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033426001 1341822153 /nfs/dbraw/zinc/82/21/53/1341822153.db2.gz MSSVNTMQTHZNRN-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033471578 1341839513 /nfs/dbraw/zinc/83/95/13/1341839513.db2.gz LLRIOUONCDYZOC-QZTJIDSGSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001033471578 1341839514 /nfs/dbraw/zinc/83/95/14/1341839514.db2.gz LLRIOUONCDYZOC-QZTJIDSGSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001033471578 1341839515 /nfs/dbraw/zinc/83/95/15/1341839515.db2.gz LLRIOUONCDYZOC-QZTJIDSGSA-N 2 1 349.544 3.044 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033533255 1341861721 /nfs/dbraw/zinc/86/17/21/1341861721.db2.gz XQYKCADHIYUGFU-ICSRJNTNSA-N 2 1 343.515 3.012 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001033575356 1341880355 /nfs/dbraw/zinc/88/03/55/1341880355.db2.gz QYECUEUWJZZOMD-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001033575356 1341880359 /nfs/dbraw/zinc/88/03/59/1341880359.db2.gz QYECUEUWJZZOMD-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033575356 1341880362 /nfs/dbraw/zinc/88/03/62/1341880362.db2.gz QYECUEUWJZZOMD-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001033581710 1341882181 /nfs/dbraw/zinc/88/21/81/1341882181.db2.gz LSGXWEGUQVQKAU-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033581710 1341882183 /nfs/dbraw/zinc/88/21/83/1341882183.db2.gz LSGXWEGUQVQKAU-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033581710 1341882186 /nfs/dbraw/zinc/88/21/86/1341882186.db2.gz LSGXWEGUQVQKAU-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033686491 1341950735 /nfs/dbraw/zinc/95/07/35/1341950735.db2.gz PMVGWXMXTRDQOE-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033686491 1341950738 /nfs/dbraw/zinc/95/07/38/1341950738.db2.gz PMVGWXMXTRDQOE-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033686491 1341950742 /nfs/dbraw/zinc/95/07/42/1341950742.db2.gz PMVGWXMXTRDQOE-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CCCC3CCC3)C2)CC[N@H+]1C ZINC001033835399 1342034735 /nfs/dbraw/zinc/03/47/35/1342034735.db2.gz PGKPXLOOHRVEAC-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](CCCC3CCC3)C2)CC[NH+]1C ZINC001033835399 1342034738 /nfs/dbraw/zinc/03/47/38/1342034738.db2.gz PGKPXLOOHRVEAC-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](CCCC3CCC3)C2)CC[NH+]1C ZINC001033835399 1342034743 /nfs/dbraw/zinc/03/47/43/1342034743.db2.gz PGKPXLOOHRVEAC-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033989119 1342132681 /nfs/dbraw/zinc/13/26/81/1342132681.db2.gz KMXMRUPHNFTDHK-XLIONFOSSA-N 2 1 345.531 3.331 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001033989703 1342133711 /nfs/dbraw/zinc/13/37/11/1342133711.db2.gz OMUIEUXVTZGGSJ-FQEVSTJZSA-N 2 1 343.515 3.251 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001034050418 1342192034 /nfs/dbraw/zinc/19/20/34/1342192034.db2.gz LUQJPVMNABBHQL-KRWDZBQOSA-N 2 1 347.503 3.068 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034205396 1342315940 /nfs/dbraw/zinc/31/59/40/1342315940.db2.gz WJSDSCYBPMHVNM-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2=CCCCC2)C1 ZINC001034205396 1342315942 /nfs/dbraw/zinc/31/59/42/1342315942.db2.gz WJSDSCYBPMHVNM-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2=CCCCC2)C1 ZINC001034205396 1342315944 /nfs/dbraw/zinc/31/59/44/1342315944.db2.gz WJSDSCYBPMHVNM-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034238494 1342338894 /nfs/dbraw/zinc/33/88/94/1342338894.db2.gz CQOSFXGMWACWHH-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034238494 1342338897 /nfs/dbraw/zinc/33/88/97/1342338897.db2.gz CQOSFXGMWACWHH-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034238494 1342338902 /nfs/dbraw/zinc/33/89/02/1342338902.db2.gz CQOSFXGMWACWHH-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034250297 1342347128 /nfs/dbraw/zinc/34/71/28/1342347128.db2.gz PMDQABXZUAZQRT-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[N@H+](CCC2CC2)C1 ZINC001034250297 1342347129 /nfs/dbraw/zinc/34/71/29/1342347129.db2.gz PMDQABXZUAZQRT-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[N@@H+](CCC2CC2)C1 ZINC001034250297 1342347131 /nfs/dbraw/zinc/34/71/31/1342347131.db2.gz PMDQABXZUAZQRT-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034251447 1342347868 /nfs/dbraw/zinc/34/78/68/1342347868.db2.gz ZHBYHPULFCDAND-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034251447 1342347872 /nfs/dbraw/zinc/34/78/72/1342347872.db2.gz ZHBYHPULFCDAND-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034251447 1342347875 /nfs/dbraw/zinc/34/78/75/1342347875.db2.gz ZHBYHPULFCDAND-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034285974 1342373646 /nfs/dbraw/zinc/37/36/46/1342373646.db2.gz VMVFYHOLLIKONT-INIZCTEOSA-N 2 1 328.460 3.027 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3CC(C)(C)C3)C2)CC[N@H+]1C ZINC001034371007 1342440832 /nfs/dbraw/zinc/44/08/32/1342440832.db2.gz PWVRJVWSJAVNDN-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@H+](CC3CC(C)(C)C3)C2)CC[NH+]1C ZINC001034371007 1342440835 /nfs/dbraw/zinc/44/08/35/1342440835.db2.gz PWVRJVWSJAVNDN-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CC(C)(C)C3)C2)CC[NH+]1C ZINC001034371007 1342440839 /nfs/dbraw/zinc/44/08/39/1342440839.db2.gz PWVRJVWSJAVNDN-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001034379158 1342449323 /nfs/dbraw/zinc/44/93/23/1342449323.db2.gz BOYZIFNSPWSZJG-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034396408 1342464538 /nfs/dbraw/zinc/46/45/38/1342464538.db2.gz FIWNGPHEPCIVOW-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034396408 1342464541 /nfs/dbraw/zinc/46/45/41/1342464541.db2.gz FIWNGPHEPCIVOW-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034396408 1342464546 /nfs/dbraw/zinc/46/45/46/1342464546.db2.gz FIWNGPHEPCIVOW-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034396070 1342465268 /nfs/dbraw/zinc/46/52/68/1342465268.db2.gz CSZBSEUIFDUVEB-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](CC2CCCCC2)C1 ZINC001034396070 1342465270 /nfs/dbraw/zinc/46/52/70/1342465270.db2.gz CSZBSEUIFDUVEB-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](CC2CCCCC2)C1 ZINC001034396070 1342465273 /nfs/dbraw/zinc/46/52/73/1342465273.db2.gz CSZBSEUIFDUVEB-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2CCCC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001034432694 1342494037 /nfs/dbraw/zinc/49/40/37/1342494037.db2.gz YTSGWPZHDNIXQQ-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001034462085 1342518658 /nfs/dbraw/zinc/51/86/58/1342518658.db2.gz MWZRTLRNOMBTPG-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528302 1342584588 /nfs/dbraw/zinc/58/45/88/1342584588.db2.gz LWECASFZKNICNS-RBUKOAKNSA-N 2 1 343.515 3.123 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034536437 1342592947 /nfs/dbraw/zinc/59/29/47/1342592947.db2.gz FZVLIGAINBIYSS-XLIONFOSSA-N 2 1 345.531 3.379 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034796254 1342762873 /nfs/dbraw/zinc/76/28/73/1342762873.db2.gz GRNVRUBTDJUNDG-YOQCTACHSA-N 2 1 335.536 3.066 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034980413 1342863352 /nfs/dbraw/zinc/86/33/52/1342863352.db2.gz VJUCVSRFRQHSNJ-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001035071589 1342912033 /nfs/dbraw/zinc/91/20/33/1342912033.db2.gz YXHHJMKDYGWENJ-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+](C)C)CC2 ZINC001035194068 1343008077 /nfs/dbraw/zinc/00/80/77/1343008077.db2.gz UFZDHHZBCQRIDA-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC[NH+](CCC(C)(C)C)C2)CC1 ZINC001035198214 1343011955 /nfs/dbraw/zinc/01/19/55/1343011955.db2.gz FZBYBKMIXDEIOY-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001035198214 1343011960 /nfs/dbraw/zinc/01/19/60/1343011960.db2.gz FZBYBKMIXDEIOY-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001035198214 1343011965 /nfs/dbraw/zinc/01/19/65/1343011965.db2.gz FZBYBKMIXDEIOY-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)CC2 ZINC001035215983 1343035154 /nfs/dbraw/zinc/03/51/54/1343035154.db2.gz OSXXSILQOHUNCW-LJQANCHMSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035215983 1343035160 /nfs/dbraw/zinc/03/51/60/1343035160.db2.gz OSXXSILQOHUNCW-LJQANCHMSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035215983 1343035162 /nfs/dbraw/zinc/03/51/62/1343035162.db2.gz OSXXSILQOHUNCW-LJQANCHMSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)c1occc1C[NH+](C)C)CC2 ZINC001035219784 1343040217 /nfs/dbraw/zinc/04/02/17/1343040217.db2.gz CXWSFZIXWGBAPD-UHFFFAOYSA-N 2 1 347.503 3.069 20 0 EGADMP CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244225 1343065409 /nfs/dbraw/zinc/06/54/09/1343065409.db2.gz LYTMSORFGAUCST-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001036556723 1343552495 /nfs/dbraw/zinc/55/24/95/1343552495.db2.gz QQDQVAYEZPLZPI-APWZRJJASA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036755211 1343676821 /nfs/dbraw/zinc/67/68/21/1343676821.db2.gz SMFLKWLDVGCBPM-HKUYNNGSSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036755211 1343676822 /nfs/dbraw/zinc/67/68/22/1343676822.db2.gz SMFLKWLDVGCBPM-HKUYNNGSSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036755211 1343676823 /nfs/dbraw/zinc/67/68/23/1343676823.db2.gz SMFLKWLDVGCBPM-HKUYNNGSSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)CC[C@H]21 ZINC001036905841 1343853647 /nfs/dbraw/zinc/85/36/47/1343853647.db2.gz PZXVHRIZOYYLJW-SJLPKXTDSA-N 2 1 347.503 3.068 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001038315648 1344376399 /nfs/dbraw/zinc/37/63/99/1344376399.db2.gz SQTZPONCGGMEJU-MRXNPFEDSA-N 2 1 337.533 3.050 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001038315648 1344376402 /nfs/dbraw/zinc/37/64/02/1344376402.db2.gz SQTZPONCGGMEJU-MRXNPFEDSA-N 2 1 337.533 3.050 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCCC2CCCC2)C1 ZINC001038339871 1344387203 /nfs/dbraw/zinc/38/72/03/1344387203.db2.gz KDGLBIITMBJSAK-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCCC2CCCC2)C1 ZINC001038339871 1344387205 /nfs/dbraw/zinc/38/72/05/1344387205.db2.gz KDGLBIITMBJSAK-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCCC2CCCC2)C1 ZINC001038339871 1344387207 /nfs/dbraw/zinc/38/72/07/1344387207.db2.gz KDGLBIITMBJSAK-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CCCC1CCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038353692 1344394015 /nfs/dbraw/zinc/39/40/15/1344394015.db2.gz OMKCMIJOOXEALS-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CCCC1CCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038353692 1344394020 /nfs/dbraw/zinc/39/40/20/1344394020.db2.gz OMKCMIJOOXEALS-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CCCC1CCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038353692 1344394024 /nfs/dbraw/zinc/39/40/24/1344394024.db2.gz OMKCMIJOOXEALS-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038353476 1344394766 /nfs/dbraw/zinc/39/47/66/1344394766.db2.gz NKSSVAVSEWCVDM-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038353476 1344394768 /nfs/dbraw/zinc/39/47/68/1344394768.db2.gz NKSSVAVSEWCVDM-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038353476 1344394769 /nfs/dbraw/zinc/39/47/69/1344394769.db2.gz NKSSVAVSEWCVDM-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1=CCCCC1 ZINC001038443027 1344429839 /nfs/dbraw/zinc/42/98/39/1344429839.db2.gz FXCLPPLGIKTNSA-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001038443027 1344429843 /nfs/dbraw/zinc/42/98/43/1344429843.db2.gz FXCLPPLGIKTNSA-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001038443027 1344429847 /nfs/dbraw/zinc/42/98/47/1344429847.db2.gz FXCLPPLGIKTNSA-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CCCC1CCCC1)c1ccn2c[nH+]cc2c1 ZINC001038462191 1344434585 /nfs/dbraw/zinc/43/45/85/1344434585.db2.gz KPPIMHFIKYTFFD-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2CCCC2CCC2)cc1 ZINC001038815807 1344594499 /nfs/dbraw/zinc/59/44/99/1344594499.db2.gz HEUCBJUPQMOAKD-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CC2CCC(C)CC2)CC1 ZINC001038861866 1344617940 /nfs/dbraw/zinc/61/79/40/1344617940.db2.gz CHBGPYJTBRDCAM-AFMYVXGZSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCC2CCCCC2)CC1 ZINC001038862407 1344618311 /nfs/dbraw/zinc/61/83/11/1344618311.db2.gz HXTKPGAWVCRWRC-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1=CCCCC1 ZINC001038906597 1344644499 /nfs/dbraw/zinc/64/44/99/1344644499.db2.gz CHSZJXBAFJMSLG-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001038906597 1344644503 /nfs/dbraw/zinc/64/45/03/1344644503.db2.gz CHSZJXBAFJMSLG-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1=CCCCC1 ZINC001038906597 1344644506 /nfs/dbraw/zinc/64/45/06/1344644506.db2.gz CHSZJXBAFJMSLG-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCC1 ZINC001038909163 1344647211 /nfs/dbraw/zinc/64/72/11/1344647211.db2.gz OHJKWXSFSOEMTL-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001038909163 1344647214 /nfs/dbraw/zinc/64/72/14/1344647214.db2.gz OHJKWXSFSOEMTL-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001038909163 1344647216 /nfs/dbraw/zinc/64/72/16/1344647216.db2.gz OHJKWXSFSOEMTL-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139478 1344819081 /nfs/dbraw/zinc/81/90/81/1344819081.db2.gz HDOQMEAPYZVEMT-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC001039139478 1344819084 /nfs/dbraw/zinc/81/90/84/1344819084.db2.gz HDOQMEAPYZVEMT-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC001039139478 1344819088 /nfs/dbraw/zinc/81/90/88/1344819088.db2.gz HDOQMEAPYZVEMT-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140520 1344821420 /nfs/dbraw/zinc/82/14/20/1344821420.db2.gz GPJQCACLWQJMCM-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039140520 1344821424 /nfs/dbraw/zinc/82/14/24/1344821424.db2.gz GPJQCACLWQJMCM-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039140520 1344821430 /nfs/dbraw/zinc/82/14/30/1344821430.db2.gz GPJQCACLWQJMCM-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039220394 1344938059 /nfs/dbraw/zinc/93/80/59/1344938059.db2.gz YZHIYVJMYYAOFP-MJGOQNOKSA-N 2 1 340.471 3.059 20 0 EGADMP CC(C)[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039220391 1344938072 /nfs/dbraw/zinc/93/80/72/1344938072.db2.gz YZHIYVJMYYAOFP-HKUYNNGSSA-N 2 1 340.471 3.059 20 0 EGADMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001039283497 1344996003 /nfs/dbraw/zinc/99/60/03/1344996003.db2.gz XXRSLLUECGHZLP-OOKSDGMUSA-N 2 1 346.519 3.308 20 0 EGADMP CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001039374737 1345033322 /nfs/dbraw/zinc/03/33/22/1345033322.db2.gz IBDHEYMUHSNFIW-SXLOBPIMSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001039374737 1345033324 /nfs/dbraw/zinc/03/33/24/1345033324.db2.gz IBDHEYMUHSNFIW-SXLOBPIMSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001039374737 1345033326 /nfs/dbraw/zinc/03/33/26/1345033326.db2.gz IBDHEYMUHSNFIW-SXLOBPIMSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001039578740 1345145012 /nfs/dbraw/zinc/14/50/12/1345145012.db2.gz AFPTYAODLBSZJM-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001039578740 1345145016 /nfs/dbraw/zinc/14/50/16/1345145016.db2.gz AFPTYAODLBSZJM-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001039578740 1345145019 /nfs/dbraw/zinc/14/50/19/1345145019.db2.gz AFPTYAODLBSZJM-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CCCC1)[NH+](C)C ZINC001039658224 1345154117 /nfs/dbraw/zinc/15/41/17/1345154117.db2.gz AZZMWBYIIVBRJT-ZCNNSNEGSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC(C)(C)C1)C2)[NH+](C)C ZINC001040260974 1345400255 /nfs/dbraw/zinc/40/02/55/1345400255.db2.gz JRZVSQSUKGBMBQ-NQIIRXRSSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040327615 1345434108 /nfs/dbraw/zinc/43/41/08/1345434108.db2.gz GGYNKMNVGPIWHY-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040393317 1345473657 /nfs/dbraw/zinc/47/36/57/1345473657.db2.gz ATAAJECZRMFCEQ-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001040393317 1345473660 /nfs/dbraw/zinc/47/36/60/1345473660.db2.gz ATAAJECZRMFCEQ-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001040393317 1345473662 /nfs/dbraw/zinc/47/36/62/1345473662.db2.gz ATAAJECZRMFCEQ-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC)C2 ZINC001040489600 1345516961 /nfs/dbraw/zinc/51/69/61/1345516961.db2.gz VXAVSDYVQFPQJY-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC)C2 ZINC001040489600 1345516963 /nfs/dbraw/zinc/51/69/63/1345516963.db2.gz VXAVSDYVQFPQJY-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC)C2 ZINC001040489600 1345516965 /nfs/dbraw/zinc/51/69/65/1345516965.db2.gz VXAVSDYVQFPQJY-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001040543285 1345538432 /nfs/dbraw/zinc/53/84/32/1345538432.db2.gz NMVNVPNRRNCZQG-OAQYLSRUSA-N 2 1 343.515 3.086 20 0 EGADMP CC(C)[N@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001040542468 1345538657 /nfs/dbraw/zinc/53/86/57/1345538657.db2.gz IYJGUAKRLJAJCP-OAQYLSRUSA-N 2 1 343.515 3.085 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001040733239 1345572136 /nfs/dbraw/zinc/57/21/36/1345572136.db2.gz QQRFJRAMUONNLH-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC2(C1)CC[NH+](C(C)C)CC2 ZINC001040874446 1345592289 /nfs/dbraw/zinc/59/22/89/1345592289.db2.gz GZNIHOYASCZFIA-UHFFFAOYSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041722862 1345831362 /nfs/dbraw/zinc/83/13/62/1345831362.db2.gz BSNBRJVVBYEAKD-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041722862 1345831363 /nfs/dbraw/zinc/83/13/63/1345831363.db2.gz BSNBRJVVBYEAKD-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041722862 1345831364 /nfs/dbraw/zinc/83/13/64/1345831364.db2.gz BSNBRJVVBYEAKD-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041724491 1345832523 /nfs/dbraw/zinc/83/25/23/1345832523.db2.gz YYXGQGQSZIDAOU-TZIWHRDSSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041724491 1345832525 /nfs/dbraw/zinc/83/25/25/1345832525.db2.gz YYXGQGQSZIDAOU-TZIWHRDSSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041724491 1345832527 /nfs/dbraw/zinc/83/25/27/1345832527.db2.gz YYXGQGQSZIDAOU-TZIWHRDSSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C2C[NH+](CCCC3CCCC3)C2)C1 ZINC001042911697 1346124601 /nfs/dbraw/zinc/12/46/01/1346124601.db2.gz NWDDMENGDYSUHT-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C2C[NH+](CCCC3CCCC3)C2)C1 ZINC001042911698 1346124609 /nfs/dbraw/zinc/12/46/09/1346124609.db2.gz NWDDMENGDYSUHT-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001042924335 1346125129 /nfs/dbraw/zinc/12/51/29/1346125129.db2.gz QCJOUXJJKCNULF-IEBWSBKVSA-N 2 1 343.515 3.153 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001042924335 1346125133 /nfs/dbraw/zinc/12/51/33/1346125133.db2.gz QCJOUXJJKCNULF-IEBWSBKVSA-N 2 1 343.515 3.153 20 0 EGADMP CN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1C[NH+](CCC2CCCCC2)C1 ZINC001043071763 1346136622 /nfs/dbraw/zinc/13/66/22/1346136622.db2.gz BKHGSIUKCWXPMR-ICSRJNTNSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1C[NH+](CCC2CCCCC2)C1 ZINC001043071763 1346136624 /nfs/dbraw/zinc/13/66/24/1346136624.db2.gz BKHGSIUKCWXPMR-ICSRJNTNSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CCC2CCCCC2)C1 ZINC001043198083 1346152526 /nfs/dbraw/zinc/15/25/26/1346152526.db2.gz BPMQKQOMYYGXDQ-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CCC2CCCCC2)C1 ZINC001043198083 1346152527 /nfs/dbraw/zinc/15/25/27/1346152527.db2.gz BPMQKQOMYYGXDQ-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001044337268 1346301862 /nfs/dbraw/zinc/30/18/62/1346301862.db2.gz OFEYXUCYJUXONE-PMACEKPBSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001044337268 1346301864 /nfs/dbraw/zinc/30/18/64/1346301864.db2.gz OFEYXUCYJUXONE-PMACEKPBSA-N 2 1 343.515 3.155 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045100060 1346495196 /nfs/dbraw/zinc/49/51/96/1346495196.db2.gz RRCNDGWFCLHERI-IBGZPJMESA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2(C)CC[NH+](C[C@@H](C)CC)CC2)C1 ZINC001045531473 1346619314 /nfs/dbraw/zinc/61/93/14/1346619314.db2.gz JUDSUPLYRWCYOX-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC2(C)CC[NH+](CC3CCC(C)(C)CC3)CC2)C1 ZINC001045639571 1346655855 /nfs/dbraw/zinc/65/58/55/1346655855.db2.gz MJGDYOWDNRDLEG-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001045731479 1346681556 /nfs/dbraw/zinc/68/15/56/1346681556.db2.gz HWGYGGUENXVXEG-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001045731479 1346681557 /nfs/dbraw/zinc/68/15/57/1346681557.db2.gz HWGYGGUENXVXEG-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001045731479 1346681560 /nfs/dbraw/zinc/68/15/60/1346681560.db2.gz HWGYGGUENXVXEG-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045940579 1346776658 /nfs/dbraw/zinc/77/66/58/1346776658.db2.gz AYMQYLKWGPNHMM-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001045940579 1346776661 /nfs/dbraw/zinc/77/66/61/1346776661.db2.gz AYMQYLKWGPNHMM-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001045940579 1346776663 /nfs/dbraw/zinc/77/66/63/1346776663.db2.gz AYMQYLKWGPNHMM-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943496 1346779303 /nfs/dbraw/zinc/77/93/03/1346779303.db2.gz JIWDLAUUAWEQBF-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945670 1346781413 /nfs/dbraw/zinc/78/14/13/1346781413.db2.gz WSELGMAUQCSOCG-FPOVZHCZSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)[C@H](C(=O)N1CCCC[C@@]2(CC[N@H+](C(C)C)C2)C1)[NH+]1CCCC1 ZINC001045986177 1346828049 /nfs/dbraw/zinc/82/80/49/1346828049.db2.gz JGFCMAKCODQKMS-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046449879 1346978107 /nfs/dbraw/zinc/97/81/07/1346978107.db2.gz MYCVFPKBPWXVDF-KKSFZXQISA-N 2 1 348.450 3.290 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCCC2CCCC2)C1 ZINC001046557806 1347016423 /nfs/dbraw/zinc/01/64/23/1347016423.db2.gz OQFVSGHOYDOBIV-AZUAARDMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCCC2CCCC2)C1 ZINC001046557806 1347016426 /nfs/dbraw/zinc/01/64/26/1347016426.db2.gz OQFVSGHOYDOBIV-AZUAARDMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCCC2CCCC2)C1 ZINC001046557806 1347016429 /nfs/dbraw/zinc/01/64/29/1347016429.db2.gz OQFVSGHOYDOBIV-AZUAARDMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001046597423 1347032598 /nfs/dbraw/zinc/03/25/98/1347032598.db2.gz ICUBNBNXESIUOC-NRFANRHFSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](C(C)C)C3)o1 ZINC001047209806 1347245229 /nfs/dbraw/zinc/24/52/29/1347245229.db2.gz XFXXBPDCGJUVCQ-ULQDDVLXSA-N 2 1 347.503 3.113 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C2CC[NH+](CCC)CC2)C1 ZINC001047241286 1347267581 /nfs/dbraw/zinc/26/75/81/1347267581.db2.gz PGZDNTAEBAQCEG-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047242351 1347268265 /nfs/dbraw/zinc/26/82/65/1347268265.db2.gz CNAQACBHXAOWDN-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001047246618 1347271856 /nfs/dbraw/zinc/27/18/56/1347271856.db2.gz SVBQDWLYDLXKPP-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047265999 1347287139 /nfs/dbraw/zinc/28/71/39/1347287139.db2.gz NNIZECVKBWMACM-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698199 1357350695 /nfs/dbraw/zinc/35/06/95/1357350695.db2.gz OJLDBHBBBAXVGN-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047975904 1347431305 /nfs/dbraw/zinc/43/13/05/1347431305.db2.gz PATBVHWENKYMNY-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC ZINC001048583168 1347605868 /nfs/dbraw/zinc/60/58/68/1347605868.db2.gz FAIIAJUUIJAIQB-IYWMVGAKSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC ZINC001048583168 1347605871 /nfs/dbraw/zinc/60/58/71/1347605871.db2.gz FAIIAJUUIJAIQB-IYWMVGAKSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC ZINC001048583168 1347605874 /nfs/dbraw/zinc/60/58/74/1347605874.db2.gz FAIIAJUUIJAIQB-IYWMVGAKSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001048590589 1347609644 /nfs/dbraw/zinc/60/96/44/1347609644.db2.gz PEACTYRUXXPSEK-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001048590589 1347609647 /nfs/dbraw/zinc/60/96/47/1347609647.db2.gz PEACTYRUXXPSEK-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001048590589 1347609650 /nfs/dbraw/zinc/60/96/50/1347609650.db2.gz PEACTYRUXXPSEK-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)CC[N@H+]1C ZINC001048608574 1347616963 /nfs/dbraw/zinc/61/69/63/1347616963.db2.gz YLODRYPKMKICSI-LWYYNNOASA-N 2 1 349.563 3.029 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CC3)CC2)C1 ZINC001048615422 1347618982 /nfs/dbraw/zinc/61/89/82/1347618982.db2.gz DXVQLQKLNMXPTH-VAMGGRTRSA-N 2 1 349.563 3.031 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)CC[N@H+]1C ZINC001048615877 1347619509 /nfs/dbraw/zinc/61/95/09/1347619509.db2.gz NUJURJJMGQEXJO-LEAZDLGRSA-N 2 1 349.563 3.029 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC(C)(C)C)C[C@@H]2C1 ZINC001049097302 1347724635 /nfs/dbraw/zinc/72/46/35/1347724635.db2.gz JUQWORFRPCNMHH-OTWHNJEPSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001049097302 1347724638 /nfs/dbraw/zinc/72/46/38/1347724638.db2.gz JUQWORFRPCNMHH-OTWHNJEPSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001049097302 1347724639 /nfs/dbraw/zinc/72/46/39/1347724639.db2.gz JUQWORFRPCNMHH-OTWHNJEPSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514389 1347886408 /nfs/dbraw/zinc/88/64/08/1347886408.db2.gz DLOTWSJPTDNALO-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001049514389 1347886413 /nfs/dbraw/zinc/88/64/13/1347886413.db2.gz DLOTWSJPTDNALO-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514389 1347886414 /nfs/dbraw/zinc/88/64/14/1347886414.db2.gz DLOTWSJPTDNALO-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC1CCC1)C1CCC1 ZINC001049521964 1347890096 /nfs/dbraw/zinc/89/00/96/1347890096.db2.gz NCZXLPHVHNKGDP-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC1CCC1)C1CCC1 ZINC001049521964 1347890097 /nfs/dbraw/zinc/89/00/97/1347890097.db2.gz NCZXLPHVHNKGDP-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC1CCC1)C1CCC1 ZINC001049521964 1347890100 /nfs/dbraw/zinc/89/01/00/1347890100.db2.gz NCZXLPHVHNKGDP-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049533036 1347895403 /nfs/dbraw/zinc/89/54/03/1347895403.db2.gz LXFODVMGRSRKIJ-QRVBRYPASA-N 2 1 337.552 3.074 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049573288 1347916298 /nfs/dbraw/zinc/91/62/98/1347916298.db2.gz RRYHABZOZGWEHG-MOPGFXCFSA-N 2 1 340.471 3.059 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049638890 1347948012 /nfs/dbraw/zinc/94/80/12/1347948012.db2.gz NCBQRPOHSWOLLZ-RBUKOAKNSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCC(C)(C)C)CC[N@H+]1C ZINC001049671459 1347965804 /nfs/dbraw/zinc/96/58/04/1347965804.db2.gz LJSUGPPUNPZGMC-OKYOBFRVSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001049671459 1347965808 /nfs/dbraw/zinc/96/58/08/1347965808.db2.gz LJSUGPPUNPZGMC-OKYOBFRVSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001049671459 1347965811 /nfs/dbraw/zinc/96/58/11/1347965811.db2.gz LJSUGPPUNPZGMC-OKYOBFRVSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1=CCCCC1)[NH+](C)C ZINC001049702597 1347980905 /nfs/dbraw/zinc/98/09/05/1347980905.db2.gz IHDUVGJOCBGRHL-VAMGGRTRSA-N 2 1 347.547 3.138 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC ZINC001049835948 1348049004 /nfs/dbraw/zinc/04/90/04/1348049004.db2.gz MSIBQFPEDQAWNJ-CEXWTWQISA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC ZINC001049835948 1348049008 /nfs/dbraw/zinc/04/90/08/1348049008.db2.gz MSIBQFPEDQAWNJ-CEXWTWQISA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC ZINC001049835948 1348049010 /nfs/dbraw/zinc/04/90/10/1348049010.db2.gz MSIBQFPEDQAWNJ-CEXWTWQISA-N 2 1 335.536 3.116 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC1CCCC1 ZINC001049896276 1348098377 /nfs/dbraw/zinc/09/83/77/1348098377.db2.gz MLALKHCMKSICLK-WOJBJXKFSA-N 2 1 347.547 3.118 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCC1 ZINC001049914879 1348109342 /nfs/dbraw/zinc/10/93/42/1348109342.db2.gz RQGRRJNUICMFSP-PMACEKPBSA-N 2 1 347.547 3.118 20 0 EGADMP CC[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001050252612 1348218971 /nfs/dbraw/zinc/21/89/71/1348218971.db2.gz ORNZKTXZHYZQNA-UHFFFAOYSA-N 2 1 339.483 3.130 20 0 EGADMP C[C@H]([NH2+]CC1CCCC1)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001050272099 1348224699 /nfs/dbraw/zinc/22/46/99/1348224699.db2.gz CNJQNSCDZVYRMW-JXFKEZNVSA-N 2 1 343.515 3.095 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC001050302077 1348227795 /nfs/dbraw/zinc/22/77/95/1348227795.db2.gz AUVUXDKAKSSFJW-QGZVKYPTSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)C1 ZINC001050333531 1348229567 /nfs/dbraw/zinc/22/95/67/1348229567.db2.gz XLBGJRBGYJIZNW-VAMGGRTRSA-N 2 1 349.563 3.029 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001050339775 1348231832 /nfs/dbraw/zinc/23/18/32/1348231832.db2.gz VAYGVOCNCKSUTF-UFYCRDLUSA-N 2 1 349.563 3.172 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3=CCCCC3)CC2)C1 ZINC001050385942 1348246624 /nfs/dbraw/zinc/24/66/24/1348246624.db2.gz CFNWEHDFBSFATO-UFYCRDLUSA-N 2 1 347.547 3.093 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052378989 1348536435 /nfs/dbraw/zinc/53/64/35/1348536435.db2.gz ZKCYCSXUQYEHRQ-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381483 1348536635 /nfs/dbraw/zinc/53/66/35/1348536635.db2.gz RTMBSMNCVAPVJS-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052381483 1348536639 /nfs/dbraw/zinc/53/66/39/1348536639.db2.gz RTMBSMNCVAPVJS-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052381483 1348536641 /nfs/dbraw/zinc/53/66/41/1348536641.db2.gz RTMBSMNCVAPVJS-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)CC1)[NH+]1CCCC1 ZINC001052620183 1348598040 /nfs/dbraw/zinc/59/80/40/1348598040.db2.gz NNCFENSWXWLAQP-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](CC3CCCC3)CC2)C1 ZINC001052651347 1348613733 /nfs/dbraw/zinc/61/37/33/1348613733.db2.gz GNOONDWCJKVGBG-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@H+](CC3CCCC3)CC2)C1 ZINC001052651347 1348613734 /nfs/dbraw/zinc/61/37/34/1348613734.db2.gz GNOONDWCJKVGBG-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@@H+](CC3CCCC3)CC2)C1 ZINC001052651347 1348613735 /nfs/dbraw/zinc/61/37/35/1348613735.db2.gz GNOONDWCJKVGBG-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CC3CCCCCC3)CC2)C1 ZINC001052712897 1348645227 /nfs/dbraw/zinc/64/52/27/1348645227.db2.gz PKLHFIMIDFGZAE-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CC3CCCCCC3)CC2)C1 ZINC001052712897 1348645228 /nfs/dbraw/zinc/64/52/28/1348645228.db2.gz PKLHFIMIDFGZAE-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CC3CCCCCC3)CC2)C1 ZINC001052712897 1348645230 /nfs/dbraw/zinc/64/52/30/1348645230.db2.gz PKLHFIMIDFGZAE-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC001052713450 1348645342 /nfs/dbraw/zinc/64/53/42/1348645342.db2.gz XNRBFJPHAULENL-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC001052713450 1348645347 /nfs/dbraw/zinc/64/53/47/1348645347.db2.gz XNRBFJPHAULENL-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001052713450 1348645351 /nfs/dbraw/zinc/64/53/51/1348645351.db2.gz XNRBFJPHAULENL-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052757009 1348666031 /nfs/dbraw/zinc/66/60/31/1348666031.db2.gz KMGUNDZOGPCSDQ-IRXDYDNUSA-N 2 1 334.508 3.023 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052757009 1348666033 /nfs/dbraw/zinc/66/60/33/1348666033.db2.gz KMGUNDZOGPCSDQ-IRXDYDNUSA-N 2 1 334.508 3.023 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052819404 1348689278 /nfs/dbraw/zinc/68/92/78/1348689278.db2.gz FMBLTUJYBSNFNF-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC001052820172 1348689713 /nfs/dbraw/zinc/68/97/13/1348689713.db2.gz MQYAYDXYOFOKHB-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC)CC1 ZINC001052860427 1348705687 /nfs/dbraw/zinc/70/56/87/1348705687.db2.gz TZUMSYAZCVVVKI-OALUTQOASA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC)CC1 ZINC001052860427 1348705691 /nfs/dbraw/zinc/70/56/91/1348705691.db2.gz TZUMSYAZCVVVKI-OALUTQOASA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC)CC1 ZINC001052860427 1348705693 /nfs/dbraw/zinc/70/56/93/1348705693.db2.gz TZUMSYAZCVVVKI-OALUTQOASA-N 2 1 337.552 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053044573 1348845054 /nfs/dbraw/zinc/84/50/54/1348845054.db2.gz QEBMWTSLCKFQIZ-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053046364 1348848244 /nfs/dbraw/zinc/84/82/44/1348848244.db2.gz JMWMHTDLLIDSHC-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053097131 1348928220 /nfs/dbraw/zinc/92/82/20/1348928220.db2.gz CMVSZCDBEZSJMN-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001053097131 1348928224 /nfs/dbraw/zinc/92/82/24/1348928224.db2.gz CMVSZCDBEZSJMN-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001053097131 1348928229 /nfs/dbraw/zinc/92/82/29/1348928229.db2.gz CMVSZCDBEZSJMN-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001079965446 1357440963 /nfs/dbraw/zinc/44/09/63/1357440963.db2.gz JDMMZCCGAZKPCY-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001079965446 1357440966 /nfs/dbraw/zinc/44/09/66/1357440966.db2.gz JDMMZCCGAZKPCY-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001079965446 1357440967 /nfs/dbraw/zinc/44/09/67/1357440967.db2.gz JDMMZCCGAZKPCY-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001079965446 1357440969 /nfs/dbraw/zinc/44/09/69/1357440969.db2.gz JDMMZCCGAZKPCY-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174010 1349175570 /nfs/dbraw/zinc/17/55/70/1349175570.db2.gz JCLIWTKBJKOBLL-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219553 1349216420 /nfs/dbraw/zinc/21/64/20/1349216420.db2.gz QFSRLNWPWINXLA-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245202 1349239007 /nfs/dbraw/zinc/23/90/07/1349239007.db2.gz PSYANUNTUDZUDY-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1Cc2ccc(CNC(=O)c3ccn4c[nH+]cc4c3)cc2C1 ZINC001054272731 1349271993 /nfs/dbraw/zinc/27/19/93/1349271993.db2.gz AQOKRPDVJBHQPC-UHFFFAOYSA-N 2 1 348.450 3.236 20 0 EGADMP CCOc1cc(C[N@@H+](CC)C2CC[NH2+]CC2)ccc1Br ZINC001235762956 1376890181 /nfs/dbraw/zinc/89/01/81/1376890181.db2.gz XMUOLTGJPKLYGN-UHFFFAOYSA-N 2 1 341.293 3.422 20 0 EGADMP COc1c(C)cc(Br)cc1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236228794 1376943247 /nfs/dbraw/zinc/94/32/47/1376943247.db2.gz ZCPILMQNRIAUTE-UHFFFAOYSA-N 2 1 341.293 3.340 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080667379 1357718550 /nfs/dbraw/zinc/71/85/50/1357718550.db2.gz AYACGSAYTZJGFS-UYAOXDASSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001082741086 1358085899 /nfs/dbraw/zinc/08/58/99/1358085899.db2.gz PBBYZSBQDLYDJT-ZHALLVOQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085625565 1358645494 /nfs/dbraw/zinc/64/54/94/1358645494.db2.gz SQXJKRVUAHCPDE-INIZCTEOSA-N 2 1 337.533 3.002 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085625565 1358645496 /nfs/dbraw/zinc/64/54/96/1358645496.db2.gz SQXJKRVUAHCPDE-INIZCTEOSA-N 2 1 337.533 3.002 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C(C)C)C1)c1ccccc1 ZINC001183138505 1387268679 /nfs/dbraw/zinc/26/86/79/1387268679.db2.gz XDPFFSCHJNXITF-SLYNCCJLSA-N 2 1 345.531 3.162 20 0 EGADMP CCCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071627373 1354811138 /nfs/dbraw/zinc/81/11/38/1354811138.db2.gz DRZUGJJJJRHDON-HOCLYGCPSA-N 2 1 328.460 3.026 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CC1CCCC1 ZINC001071735040 1354887093 /nfs/dbraw/zinc/88/70/93/1354887093.db2.gz FGBXTMWFFCRIDQ-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1Cc1ccsc1 ZINC001071735970 1354888393 /nfs/dbraw/zinc/88/83/93/1354888393.db2.gz VQNQJHGCXVZALC-WBVHZDCISA-N 2 1 349.544 3.092 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1Cc1ccsc1 ZINC001071735970 1354888397 /nfs/dbraw/zinc/88/83/97/1354888397.db2.gz VQNQJHGCXVZALC-WBVHZDCISA-N 2 1 349.544 3.092 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001071919874 1355024515 /nfs/dbraw/zinc/02/45/15/1355024515.db2.gz JLPVINQVDQBDQM-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072095772 1355127208 /nfs/dbraw/zinc/12/72/08/1355127208.db2.gz OCCWJYKKFLCVAI-PXNSSMCTSA-N 2 1 345.531 3.377 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC2(CN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001072793885 1355441470 /nfs/dbraw/zinc/44/14/70/1355441470.db2.gz ZNFGLPALWTYINQ-OAHLLOKOSA-N 2 1 349.544 3.004 20 0 EGADMP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCC(C)(C)C)C3)C1 ZINC001073125681 1355610318 /nfs/dbraw/zinc/61/03/18/1355610318.db2.gz FDVOQSOXBVHPCH-ROUUACIJSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC2CCC2)C1 ZINC001074023727 1356040260 /nfs/dbraw/zinc/04/02/60/1356040260.db2.gz CPVRTMZWTRQANH-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CCC2)C1 ZINC001074023727 1356040264 /nfs/dbraw/zinc/04/02/64/1356040264.db2.gz CPVRTMZWTRQANH-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CCC2)C1 ZINC001074023727 1356040267 /nfs/dbraw/zinc/04/02/67/1356040267.db2.gz CPVRTMZWTRQANH-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001074053597 1356057260 /nfs/dbraw/zinc/05/72/60/1356057260.db2.gz ZOUZQTAMXWUPIH-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001074053597 1356057264 /nfs/dbraw/zinc/05/72/64/1356057264.db2.gz ZOUZQTAMXWUPIH-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001074053597 1356057267 /nfs/dbraw/zinc/05/72/67/1356057267.db2.gz ZOUZQTAMXWUPIH-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1)CC1CCCCCC1 ZINC001074100125 1356083507 /nfs/dbraw/zinc/08/35/07/1356083507.db2.gz RXXFZPLZZAZXNS-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1)CC1CCCCCC1 ZINC001074100125 1356083509 /nfs/dbraw/zinc/08/35/09/1356083509.db2.gz RXXFZPLZZAZXNS-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1)CC1CCCCCC1 ZINC001074100125 1356083511 /nfs/dbraw/zinc/08/35/11/1356083511.db2.gz RXXFZPLZZAZXNS-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1)CC1CCCCCC1 ZINC001074100126 1356083991 /nfs/dbraw/zinc/08/39/91/1356083991.db2.gz RXXFZPLZZAZXNS-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1)CC1CCCCCC1 ZINC001074100126 1356083992 /nfs/dbraw/zinc/08/39/92/1356083992.db2.gz RXXFZPLZZAZXNS-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)CC1CCCCCC1 ZINC001074100126 1356083996 /nfs/dbraw/zinc/08/39/96/1356083996.db2.gz RXXFZPLZZAZXNS-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)[C@@H]1C ZINC001074649445 1356220819 /nfs/dbraw/zinc/22/08/19/1356220819.db2.gz YMRIASRSGFQYEJ-YSIASYRMSA-N 2 1 347.547 3.329 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001074693786 1356224557 /nfs/dbraw/zinc/22/45/57/1356224557.db2.gz SIQJROQEFKDKSY-SXLOBPIMSA-N 2 1 347.547 3.330 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CC3CCCCC3)[C@@H]2C)C1 ZINC001074826015 1356256780 /nfs/dbraw/zinc/25/67/80/1356256780.db2.gz RNFHIOLDRLJQIL-SXLOBPIMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448157 1356380922 /nfs/dbraw/zinc/38/09/22/1356380922.db2.gz PKGOUZFUIGUOED-AZUAARDMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075448157 1356380926 /nfs/dbraw/zinc/38/09/26/1356380926.db2.gz PKGOUZFUIGUOED-AZUAARDMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075448157 1356380930 /nfs/dbraw/zinc/38/09/30/1356380930.db2.gz PKGOUZFUIGUOED-AZUAARDMSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)CC1 ZINC001075461464 1356394925 /nfs/dbraw/zinc/39/49/25/1356394925.db2.gz HWDLKAVDDORUCJ-LJQANCHMSA-N 2 1 349.563 3.223 20 0 EGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001183256548 1387287053 /nfs/dbraw/zinc/28/70/53/1387287053.db2.gz YTSQRMGRIOKWRS-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC001082570805 1358057869 /nfs/dbraw/zinc/05/78/69/1358057869.db2.gz ZKIPIHGSAKCDCS-YZGWKJHDSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC001084383360 1358205696 /nfs/dbraw/zinc/20/56/96/1358205696.db2.gz AQWZDFPOEMTAHF-ZMSDIMECSA-N 2 1 349.544 3.002 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC001084383360 1358205702 /nfs/dbraw/zinc/20/57/02/1358205702.db2.gz AQWZDFPOEMTAHF-ZMSDIMECSA-N 2 1 349.544 3.002 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCC2)CC[N@H+]1C ZINC001085310764 1358462206 /nfs/dbraw/zinc/46/22/06/1358462206.db2.gz OHWUDPDRKPZTQF-IJXRJRJASA-N 2 1 349.563 3.314 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCC(C)(C)C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085638841 1358652986 /nfs/dbraw/zinc/65/29/86/1358652986.db2.gz BSKBECCNEAZCHF-RBUKOAKNSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CCC(C)(C)C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085638841 1358652990 /nfs/dbraw/zinc/65/29/90/1358652990.db2.gz BSKBECCNEAZCHF-RBUKOAKNSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CCC(C)(C)C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085638841 1358652994 /nfs/dbraw/zinc/65/29/94/1358652994.db2.gz BSKBECCNEAZCHF-RBUKOAKNSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCC(C)(C)C)CC1 ZINC001085901760 1358859961 /nfs/dbraw/zinc/85/99/61/1358859961.db2.gz MBVNCFMXHRUTBM-SFHVURJKSA-N 2 1 337.552 3.076 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001086122388 1359002452 /nfs/dbraw/zinc/00/24/52/1359002452.db2.gz IZIFATPUVXVUOD-XSYGEPLQSA-N 2 1 343.515 3.025 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086134212 1359005452 /nfs/dbraw/zinc/00/54/52/1359005452.db2.gz VRTGUVKOGMWWAP-ZCNNSNEGSA-N 2 1 349.563 3.172 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC001086403187 1359088733 /nfs/dbraw/zinc/08/87/33/1359088733.db2.gz ZECLESJSAFSQRG-FRYIKTPZSA-N 2 1 343.515 3.106 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086734923 1359193580 /nfs/dbraw/zinc/19/35/80/1359193580.db2.gz YXPQRMVYIXLSLL-XUVXKRRUSA-N 2 1 347.547 3.236 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCCCC3)C2)CC[N@H+]1C ZINC001086786272 1359201127 /nfs/dbraw/zinc/20/11/27/1359201127.db2.gz SEMFZZLBJRMICU-FRYIKTPZSA-N 2 1 349.563 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086882709 1359220594 /nfs/dbraw/zinc/22/05/94/1359220594.db2.gz HBDYFBKZGUZHRS-XUVXKRRUSA-N 2 1 347.547 3.236 20 0 EGADMP CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001087166468 1359312332 /nfs/dbraw/zinc/31/23/32/1359312332.db2.gz PVQUMZUHTOUETG-HBFSDRIKSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CCC2)C1 ZINC001087204056 1359320850 /nfs/dbraw/zinc/32/08/50/1359320850.db2.gz GMMAXLKKUQTTTJ-HOJAQTOUSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001087212742 1359323074 /nfs/dbraw/zinc/32/30/74/1359323074.db2.gz OJVKFWKIVNRZHG-AOIWGVFYSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CC1CC(C)C1 ZINC001087572303 1359537377 /nfs/dbraw/zinc/53/73/77/1359537377.db2.gz LUEBNDDWYCVECF-WZOJCFFYSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1CC1CC1 ZINC001087573127 1359537976 /nfs/dbraw/zinc/53/79/76/1359537976.db2.gz UTNKENGNRYSDTH-YZGWKJHDSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1CC1CC1 ZINC001087573127 1359537981 /nfs/dbraw/zinc/53/79/81/1359537981.db2.gz UTNKENGNRYSDTH-YZGWKJHDSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1CC1CC1 ZINC001087573127 1359537984 /nfs/dbraw/zinc/53/79/84/1359537984.db2.gz UTNKENGNRYSDTH-YZGWKJHDSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)[C@@H]1CC ZINC001087593753 1359547458 /nfs/dbraw/zinc/54/74/58/1359547458.db2.gz UWMJPFFNPWBMJG-RCCFBDPRSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)[C@@H]1CC ZINC001087593753 1359547461 /nfs/dbraw/zinc/54/74/61/1359547461.db2.gz UWMJPFFNPWBMJG-RCCFBDPRSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H]1CC ZINC001087593753 1359547463 /nfs/dbraw/zinc/54/74/63/1359547463.db2.gz UWMJPFFNPWBMJG-RCCFBDPRSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CCC1CCCC1 ZINC001087701798 1359599268 /nfs/dbraw/zinc/59/92/68/1359599268.db2.gz NPCWYJYMCYOUQB-FRYIKTPZSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CCC1CCCC1 ZINC001087701798 1359599274 /nfs/dbraw/zinc/59/92/74/1359599274.db2.gz NPCWYJYMCYOUQB-FRYIKTPZSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CCC1CCCC1 ZINC001087701798 1359599276 /nfs/dbraw/zinc/59/92/76/1359599276.db2.gz NPCWYJYMCYOUQB-FRYIKTPZSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1CC ZINC001087762679 1359632173 /nfs/dbraw/zinc/63/21/73/1359632173.db2.gz HRFWUVJWKNTRAY-FFZOFVMBSA-N 2 1 345.531 3.377 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1CC ZINC001087780913 1359641358 /nfs/dbraw/zinc/64/13/58/1359641358.db2.gz HKHACMQQWHNFNP-YTQUADARSA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001087828359 1359666893 /nfs/dbraw/zinc/66/68/93/1359666893.db2.gz JBRYCWSZIJBAQI-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC1CCC(C)(C)CC1 ZINC001087828359 1359666896 /nfs/dbraw/zinc/66/68/96/1359666896.db2.gz JBRYCWSZIJBAQI-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC1CCC(C)(C)CC1 ZINC001087828359 1359666898 /nfs/dbraw/zinc/66/68/98/1359666898.db2.gz JBRYCWSZIJBAQI-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@H+]1CC1CCCC1 ZINC001087840755 1359674932 /nfs/dbraw/zinc/67/49/32/1359674932.db2.gz MODIOWAWWYDGKA-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC[NH+]1CC1CCCC1 ZINC001087840755 1359674934 /nfs/dbraw/zinc/67/49/34/1359674934.db2.gz MODIOWAWWYDGKA-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC[NH+]1CC1CCCC1 ZINC001087840755 1359674935 /nfs/dbraw/zinc/67/49/35/1359674935.db2.gz MODIOWAWWYDGKA-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+](CC(=O)N1CCCCC[C@H]([NH2+]Cc2ccsc2)C1)C1CCC1 ZINC001088327099 1359831811 /nfs/dbraw/zinc/83/18/11/1359831811.db2.gz FZHIZZZJTOWHPH-KRWDZBQOSA-N 2 1 349.544 3.093 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CC3CCC3)C2)C1 ZINC001088367371 1359851704 /nfs/dbraw/zinc/85/17/04/1359851704.db2.gz IJYQKAGWQPIUJB-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCCCC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001088413372 1359884240 /nfs/dbraw/zinc/88/42/40/1359884240.db2.gz DRUOIMOAQGJAEI-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1)c1ccccc1 ZINC001088431011 1359898197 /nfs/dbraw/zinc/89/81/97/1359898197.db2.gz DWRATJKIXPEEFR-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1 ZINC001088431533 1359899661 /nfs/dbraw/zinc/89/96/61/1359899661.db2.gz YWQBEJRURFLBEE-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCC(C)(C)C)[C@@H]1C ZINC001088621383 1359993585 /nfs/dbraw/zinc/99/35/85/1359993585.db2.gz BQPQWKVDELDKDN-SQNIBIBYSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)[C@@H]1C ZINC001088621383 1359993588 /nfs/dbraw/zinc/99/35/88/1359993588.db2.gz BQPQWKVDELDKDN-SQNIBIBYSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H]1C ZINC001088621383 1359993589 /nfs/dbraw/zinc/99/35/89/1359993589.db2.gz BQPQWKVDELDKDN-SQNIBIBYSA-N 2 1 337.552 3.265 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1CC1CCCC1 ZINC001088922307 1360104311 /nfs/dbraw/zinc/10/43/11/1360104311.db2.gz DRAQAMGBUSMVLU-UZLBHIALSA-N 2 1 343.515 3.131 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCC1CCCCCC1 ZINC001089038472 1360144050 /nfs/dbraw/zinc/14/40/50/1360144050.db2.gz XQQOCISEXKSWLL-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001089261854 1360290346 /nfs/dbraw/zinc/29/03/46/1360290346.db2.gz RPTCMVCJNGKVTR-ICSRJNTNSA-N 2 1 343.515 3.156 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430861 1360422906 /nfs/dbraw/zinc/42/29/06/1360422906.db2.gz VRYDYOLBWBTLBY-GOSISDBHSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC3CC3)CC(C)(C)C2)C1 ZINC001089473576 1360456999 /nfs/dbraw/zinc/45/69/99/1360456999.db2.gz ZAUPUZFLOZJVCQ-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CC3)CC(C)(C)C2)C1 ZINC001089473576 1360457001 /nfs/dbraw/zinc/45/70/01/1360457001.db2.gz ZAUPUZFLOZJVCQ-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CC3)CC(C)(C)C2)C1 ZINC001089473576 1360457004 /nfs/dbraw/zinc/45/70/04/1360457004.db2.gz ZAUPUZFLOZJVCQ-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CC3)CC(C)(C)C2)C1 ZINC001089473579 1360457180 /nfs/dbraw/zinc/45/71/80/1360457180.db2.gz ZAUPUZFLOZJVCQ-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC3CC3)CC(C)(C)C2)C1 ZINC001089473579 1360457187 /nfs/dbraw/zinc/45/71/87/1360457187.db2.gz ZAUPUZFLOZJVCQ-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC3CC3)CC(C)(C)C2)C1 ZINC001089473579 1360457192 /nfs/dbraw/zinc/45/71/92/1360457192.db2.gz ZAUPUZFLOZJVCQ-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089487141 1360467280 /nfs/dbraw/zinc/46/72/80/1360467280.db2.gz HWOOAYNZFJWVMY-SFHVURJKSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089487141 1360467284 /nfs/dbraw/zinc/46/72/84/1360467284.db2.gz HWOOAYNZFJWVMY-SFHVURJKSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089487141 1360467286 /nfs/dbraw/zinc/46/72/86/1360467286.db2.gz HWOOAYNZFJWVMY-SFHVURJKSA-N 2 1 349.563 3.291 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC3CCC3)CC(C)(C)C2)CC1 ZINC001089527387 1360490785 /nfs/dbraw/zinc/49/07/85/1360490785.db2.gz OETOMMLDWWISRI-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)CC(C)(C)C2)C1 ZINC001089563814 1360510509 /nfs/dbraw/zinc/51/05/09/1360510509.db2.gz UKNYQSVVXCYETH-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC)CC(C)(C)C2)o1 ZINC001089565095 1360511783 /nfs/dbraw/zinc/51/17/83/1360511783.db2.gz MWJVJEHUZSWEAJ-INIZCTEOSA-N 2 1 349.519 3.362 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CC(C)(C)C1 ZINC001089616987 1360537287 /nfs/dbraw/zinc/53/72/87/1360537287.db2.gz QQPQIBLMGAPYRB-ROUUACIJSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CC(C)(C)C1 ZINC001089616987 1360537289 /nfs/dbraw/zinc/53/72/89/1360537289.db2.gz QQPQIBLMGAPYRB-ROUUACIJSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC(C)(C)C1 ZINC001089616987 1360537293 /nfs/dbraw/zinc/53/72/93/1360537293.db2.gz QQPQIBLMGAPYRB-ROUUACIJSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001089648907 1360561908 /nfs/dbraw/zinc/56/19/08/1360561908.db2.gz VJVQBUQQASMSLZ-OAHLLOKOSA-N 2 1 337.533 3.050 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001089648907 1360561912 /nfs/dbraw/zinc/56/19/12/1360561912.db2.gz VJVQBUQQASMSLZ-OAHLLOKOSA-N 2 1 337.533 3.050 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001089685628 1360591213 /nfs/dbraw/zinc/59/12/13/1360591213.db2.gz FPWFUGZKZUVUBF-GBESFXJTSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089685628 1360591218 /nfs/dbraw/zinc/59/12/18/1360591218.db2.gz FPWFUGZKZUVUBF-GBESFXJTSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089685628 1360591219 /nfs/dbraw/zinc/59/12/19/1360591219.db2.gz FPWFUGZKZUVUBF-GBESFXJTSA-N 2 1 349.563 3.290 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001091059262 1360987541 /nfs/dbraw/zinc/98/75/41/1360987541.db2.gz JXHZHDBFMZLBQL-MHJFOBGBSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001091377782 1361068765 /nfs/dbraw/zinc/06/87/65/1361068765.db2.gz AEHYXCADCNLQLF-SOAGJPPSSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)(C)CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910136 1361243321 /nfs/dbraw/zinc/24/33/21/1361243321.db2.gz KCJRFTJDHXUSDW-UTKZUKDTSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC=C(C)C)CC3)CC[N@H+]1C ZINC001094421159 1361794560 /nfs/dbraw/zinc/79/45/60/1361794560.db2.gz QUNCFFJXCMNOJB-QEUVDIPISA-N 2 1 347.547 3.044 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC=C(C)C)CC3)CC[NH+]1C ZINC001094421159 1361794561 /nfs/dbraw/zinc/79/45/61/1361794561.db2.gz QUNCFFJXCMNOJB-QEUVDIPISA-N 2 1 347.547 3.044 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC=C(C)C)CC3)CC[NH+]1C ZINC001094421159 1361794563 /nfs/dbraw/zinc/79/45/63/1361794563.db2.gz QUNCFFJXCMNOJB-QEUVDIPISA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC(C)(C)C)C1 ZINC001095530483 1362162476 /nfs/dbraw/zinc/16/24/76/1362162476.db2.gz OBXIIMBDTBEAJD-YRXWBPOGSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC(C)(C)C)C1 ZINC001095530483 1362162477 /nfs/dbraw/zinc/16/24/77/1362162477.db2.gz OBXIIMBDTBEAJD-YRXWBPOGSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(C)(C)C)C1 ZINC001095530483 1362162480 /nfs/dbraw/zinc/16/24/80/1362162480.db2.gz OBXIIMBDTBEAJD-YRXWBPOGSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095533709 1362163542 /nfs/dbraw/zinc/16/35/42/1362163542.db2.gz KMPRMUHLEYIUJR-FUMNGEBKSA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001095533709 1362163543 /nfs/dbraw/zinc/16/35/43/1362163543.db2.gz KMPRMUHLEYIUJR-FUMNGEBKSA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001095533709 1362163545 /nfs/dbraw/zinc/16/35/45/1362163545.db2.gz KMPRMUHLEYIUJR-FUMNGEBKSA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001096090667 1362378757 /nfs/dbraw/zinc/37/87/57/1362378757.db2.gz OJAQIAJGXSZYED-IKGGRYGDSA-N 2 1 346.519 3.164 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001096090667 1362378763 /nfs/dbraw/zinc/37/87/63/1362378763.db2.gz OJAQIAJGXSZYED-IKGGRYGDSA-N 2 1 346.519 3.164 20 0 EGADMP COCn1ncc(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001324269686 1387576034 /nfs/dbraw/zinc/57/60/34/1387576034.db2.gz FJRKTMGDGMXPPE-MAUKXSAKSA-N 2 1 348.516 3.030 20 0 EGADMP COCn1ncc(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001324269686 1387576035 /nfs/dbraw/zinc/57/60/35/1387576035.db2.gz FJRKTMGDGMXPPE-MAUKXSAKSA-N 2 1 348.516 3.030 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097210614 1362886882 /nfs/dbraw/zinc/88/68/82/1362886882.db2.gz ZMWHPMPMUNHOQW-NMLBUPMWSA-N 2 1 349.563 3.122 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001097210614 1362886886 /nfs/dbraw/zinc/88/68/86/1362886886.db2.gz ZMWHPMPMUNHOQW-NMLBUPMWSA-N 2 1 349.563 3.122 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001097210614 1362886889 /nfs/dbraw/zinc/88/68/89/1362886889.db2.gz ZMWHPMPMUNHOQW-NMLBUPMWSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001099060623 1363600969 /nfs/dbraw/zinc/60/09/69/1363600969.db2.gz BEADJOMATSNTNG-ZJOUEHCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001099106461 1363625018 /nfs/dbraw/zinc/62/50/18/1363625018.db2.gz GKROLWRWZVMJQR-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001099130196 1363641338 /nfs/dbraw/zinc/64/13/38/1363641338.db2.gz HJPNJWQHQHFDTQ-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001099130196 1363641341 /nfs/dbraw/zinc/64/13/41/1363641341.db2.gz HJPNJWQHQHFDTQ-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCC1 ZINC001099130196 1363641344 /nfs/dbraw/zinc/64/13/44/1363641344.db2.gz HJPNJWQHQHFDTQ-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130585 1363643104 /nfs/dbraw/zinc/64/31/04/1363643104.db2.gz PNDODULSECOXCU-DLBZAZTESA-N 2 1 339.568 3.370 20 0 EGADMP CC[C@H](C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)CC ZINC001099130585 1363643105 /nfs/dbraw/zinc/64/31/05/1363643105.db2.gz PNDODULSECOXCU-DLBZAZTESA-N 2 1 339.568 3.370 20 0 EGADMP CC[C@H](C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001099130585 1363643106 /nfs/dbraw/zinc/64/31/06/1363643106.db2.gz PNDODULSECOXCU-DLBZAZTESA-N 2 1 339.568 3.370 20 0 EGADMP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001099170934 1363669377 /nfs/dbraw/zinc/66/93/77/1363669377.db2.gz LTIWJGWXNFQHAW-RJCMGOLDSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001099170934 1363669378 /nfs/dbraw/zinc/66/93/78/1363669378.db2.gz LTIWJGWXNFQHAW-RJCMGOLDSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001099170934 1363669380 /nfs/dbraw/zinc/66/93/80/1363669380.db2.gz LTIWJGWXNFQHAW-RJCMGOLDSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001099170934 1363669382 /nfs/dbraw/zinc/66/93/82/1363669382.db2.gz LTIWJGWXNFQHAW-RJCMGOLDSA-N 2 1 349.563 3.434 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001099200021 1363689072 /nfs/dbraw/zinc/68/90/72/1363689072.db2.gz VFWNFGWSYAVFAY-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099215367 1363696590 /nfs/dbraw/zinc/69/65/90/1363696590.db2.gz UCUAAPNDJAGICI-MSOLQXFVSA-N 2 1 339.568 3.227 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCCCF)[NH+](C)C ZINC001099239815 1363708696 /nfs/dbraw/zinc/70/86/96/1363708696.db2.gz KWBLATAKUSIEHW-SJORKVTESA-N 2 1 343.531 3.073 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099239653 1363708716 /nfs/dbraw/zinc/70/87/16/1363708716.db2.gz IKMAIDYDYQFZHR-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099241318 1363709838 /nfs/dbraw/zinc/70/98/38/1363709838.db2.gz YLXIFUPEWFRFHQ-WBNOOXNUSA-N 2 1 337.552 3.290 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1C[C@@H](F)CC ZINC001099320973 1363748223 /nfs/dbraw/zinc/74/82/23/1363748223.db2.gz NIHOVTWLFSXCFN-IRXDYDNUSA-N 2 1 343.531 3.073 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1C[C@@H](F)CC ZINC001099320973 1363748226 /nfs/dbraw/zinc/74/82/26/1363748226.db2.gz NIHOVTWLFSXCFN-IRXDYDNUSA-N 2 1 343.531 3.073 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1C[C@@H](F)CC ZINC001099320973 1363748227 /nfs/dbraw/zinc/74/82/27/1363748227.db2.gz NIHOVTWLFSXCFN-IRXDYDNUSA-N 2 1 343.531 3.073 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC[C@H](C)F ZINC001099320362 1363748643 /nfs/dbraw/zinc/74/86/43/1363748643.db2.gz ITYCCSIYSSPHEU-IRXDYDNUSA-N 2 1 343.531 3.073 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC[C@H](C)F ZINC001099320362 1363748645 /nfs/dbraw/zinc/74/86/45/1363748645.db2.gz ITYCCSIYSSPHEU-IRXDYDNUSA-N 2 1 343.531 3.073 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC[C@H](C)F ZINC001099320362 1363748649 /nfs/dbraw/zinc/74/86/49/1363748649.db2.gz ITYCCSIYSSPHEU-IRXDYDNUSA-N 2 1 343.531 3.073 20 0 EGADMP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001099349293 1363765528 /nfs/dbraw/zinc/76/55/28/1363765528.db2.gz OXYNFHMADFPDJB-RTBURBONSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001099349293 1363765530 /nfs/dbraw/zinc/76/55/30/1363765530.db2.gz OXYNFHMADFPDJB-RTBURBONSA-N 2 1 345.531 3.306 20 0 EGADMP CC1(C)CC[C@@H](CNC(=O)CCCC[NH+]2CCCC2)[N@@H+](CC2CC2)C1 ZINC001099373897 1363778289 /nfs/dbraw/zinc/77/82/89/1363778289.db2.gz ZATKQPGKWAUFOV-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001099446298 1363801412 /nfs/dbraw/zinc/80/14/12/1363801412.db2.gz LJGQKFHYOZIKGN-DSKINZAPSA-N 2 1 347.547 3.020 20 0 EGADMP CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CCC)C1 ZINC001099548610 1363842016 /nfs/dbraw/zinc/84/20/16/1363842016.db2.gz YGJKHHYDICINHG-MUGJNUQGSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[N@H+](C)CCC)C1 ZINC001099548610 1363842019 /nfs/dbraw/zinc/84/20/19/1363842019.db2.gz YGJKHHYDICINHG-MUGJNUQGSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001099548610 1363842023 /nfs/dbraw/zinc/84/20/23/1363842023.db2.gz YGJKHHYDICINHG-MUGJNUQGSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099551612 1363844468 /nfs/dbraw/zinc/84/44/68/1363844468.db2.gz ACRPRNQPBBIRAW-YRPNKDGESA-N 2 1 349.563 3.076 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099551612 1363844472 /nfs/dbraw/zinc/84/44/72/1363844472.db2.gz ACRPRNQPBBIRAW-YRPNKDGESA-N 2 1 349.563 3.076 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C(C)C ZINC001099551612 1363844476 /nfs/dbraw/zinc/84/44/76/1363844476.db2.gz ACRPRNQPBBIRAW-YRPNKDGESA-N 2 1 349.563 3.076 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001100403026 1364103595 /nfs/dbraw/zinc/10/35/95/1364103595.db2.gz BKGBZMKIHFDPRD-IVSRKEGNSA-N 2 1 349.563 3.195 20 0 EGADMP CC(C)CC[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001100468949 1364126302 /nfs/dbraw/zinc/12/63/02/1364126302.db2.gz YVIPCKMSFMDUCR-UHFFFAOYSA-N 2 1 337.552 3.170 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCC2CC([NH2+]CCCC(C)(C)C)C2)CC[N@H+]1C ZINC001100606657 1364187155 /nfs/dbraw/zinc/18/71/55/1364187155.db2.gz PXXLJQKELSYYLB-NALMEZQBSA-N 2 1 337.552 3.027 20 0 EGADMP CC/C=C\CC[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001100729343 1364238118 /nfs/dbraw/zinc/23/81/18/1364238118.db2.gz BBINAEOZYNJKNV-WAYWQWQTSA-N 2 1 346.519 3.237 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCC1CC([NH2+]CC=C(C)C)C1)c1ccccc1 ZINC001100858391 1364295402 /nfs/dbraw/zinc/29/54/02/1364295402.db2.gz SQDJHDDSPQZLPZ-UUKMXZOPSA-N 2 1 343.515 3.130 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001100896637 1364319815 /nfs/dbraw/zinc/31/98/15/1364319815.db2.gz BRXILDPURICCJM-UHFFFAOYSA-N 2 1 345.531 3.020 20 0 EGADMP CCCCCC[NH2+]C1CC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001101036720 1364383974 /nfs/dbraw/zinc/38/39/74/1364383974.db2.gz ZFFVQKKHIDYICM-UUKMXZOPSA-N 2 1 345.531 3.354 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101354159 1364523990 /nfs/dbraw/zinc/52/39/90/1364523990.db2.gz UDPAJDLTVKJOIU-USJSNYOKSA-N 2 1 349.563 3.099 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@]2(C)C1 ZINC001101413578 1364551815 /nfs/dbraw/zinc/55/18/15/1364551815.db2.gz SNNRBWBNQCOJAG-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101475280 1364575663 /nfs/dbraw/zinc/57/56/63/1364575663.db2.gz WKWWSQUUPBRLJB-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001101541408 1364607455 /nfs/dbraw/zinc/60/74/55/1364607455.db2.gz DHGFRJVAHVHRDX-PKOBYXMFSA-N 2 1 349.563 3.124 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CCC2)CC1 ZINC001101551573 1364614579 /nfs/dbraw/zinc/61/45/79/1364614579.db2.gz QRGRZTYIEHDRBD-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001101596093 1364646731 /nfs/dbraw/zinc/64/67/31/1364646731.db2.gz IUFHEPIQPIIMDQ-CALCHBBNSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001101974586 1364795747 /nfs/dbraw/zinc/79/57/47/1364795747.db2.gz GLFOGABTZZAZLA-LXORQPIJSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357768 1365020772 /nfs/dbraw/zinc/02/07/72/1365020772.db2.gz IOSNXSACBLTZIV-LEJUBNGFSA-N 2 1 337.552 3.147 20 0 EGADMP CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H](C)C1 ZINC001102508681 1365092903 /nfs/dbraw/zinc/09/29/03/1365092903.db2.gz CSYVZNQQUYGNOQ-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP CCCC[NH+]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)[C@H](C)C1 ZINC001102508681 1365092906 /nfs/dbraw/zinc/09/29/06/1365092906.db2.gz CSYVZNQQUYGNOQ-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP CCCC[NH+]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)[C@H](C)C1 ZINC001102508681 1365092910 /nfs/dbraw/zinc/09/29/10/1365092910.db2.gz CSYVZNQQUYGNOQ-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001103060486 1365359360 /nfs/dbraw/zinc/35/93/60/1365359360.db2.gz OTPJAXQFIAJWEB-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001103060486 1365359364 /nfs/dbraw/zinc/35/93/64/1365359364.db2.gz OTPJAXQFIAJWEB-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001103060486 1365359366 /nfs/dbraw/zinc/35/93/66/1365359366.db2.gz OTPJAXQFIAJWEB-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001103103300 1365382012 /nfs/dbraw/zinc/38/20/12/1365382012.db2.gz CGCGIOKTLSDZEP-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001103103300 1365382013 /nfs/dbraw/zinc/38/20/13/1365382013.db2.gz CGCGIOKTLSDZEP-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001103103300 1365382014 /nfs/dbraw/zinc/38/20/14/1365382014.db2.gz CGCGIOKTLSDZEP-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185723 1365425260 /nfs/dbraw/zinc/42/52/60/1365425260.db2.gz MSUQSYOCGSRUPS-RTBURBONSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001103271427 1365465581 /nfs/dbraw/zinc/46/55/81/1365465581.db2.gz NTRABSNGTLTLFN-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001185550185 1387745958 /nfs/dbraw/zinc/74/59/58/1387745958.db2.gz TZECZZDWUODHDN-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001185548161 1387745316 /nfs/dbraw/zinc/74/53/16/1387745316.db2.gz KJFJVBIKJLURMW-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001185550531 1387746144 /nfs/dbraw/zinc/74/61/44/1387746144.db2.gz UGAOCVPDKPVWNU-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001103360397 1365517501 /nfs/dbraw/zinc/51/75/01/1365517501.db2.gz CBAXIPRHJNGONM-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001103360397 1365517503 /nfs/dbraw/zinc/51/75/03/1365517503.db2.gz CBAXIPRHJNGONM-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001103360397 1365517507 /nfs/dbraw/zinc/51/75/07/1365517507.db2.gz CBAXIPRHJNGONM-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C ZINC001103433973 1365557517 /nfs/dbraw/zinc/55/75/17/1365557517.db2.gz PXDMMXOJKXQURA-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001103433973 1365557524 /nfs/dbraw/zinc/55/75/24/1365557524.db2.gz PXDMMXOJKXQURA-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001103433973 1365557527 /nfs/dbraw/zinc/55/75/27/1365557527.db2.gz PXDMMXOJKXQURA-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497751 1365597967 /nfs/dbraw/zinc/59/79/67/1365597967.db2.gz XKDFYTKAQIXZIK-WYTZPYIFSA-N 2 1 349.563 3.149 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001103612700 1365675789 /nfs/dbraw/zinc/67/57/89/1365675789.db2.gz QDFAPGJAVFQXBJ-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001103612700 1365675794 /nfs/dbraw/zinc/67/57/94/1365675794.db2.gz QDFAPGJAVFQXBJ-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001103612700 1365675798 /nfs/dbraw/zinc/67/57/98/1365675798.db2.gz QDFAPGJAVFQXBJ-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001103773672 1365777270 /nfs/dbraw/zinc/77/72/70/1365777270.db2.gz KTGXSVKWFQSOAW-RTBURBONSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001104196347 1365947881 /nfs/dbraw/zinc/94/78/81/1365947881.db2.gz SODRRUGGCDPYAK-GUDVDZBRSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001185682571 1387776702 /nfs/dbraw/zinc/77/67/02/1387776702.db2.gz QTZFLEQBXOGYAY-OIIZEAPSSA-N 2 1 346.519 3.012 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2c(C)c(C)n[nH]c2=O)cc1 ZINC001324842582 1387788781 /nfs/dbraw/zinc/78/87/81/1387788781.db2.gz UTQGFQVCKZJBOW-CQSZACIVSA-N 2 1 337.427 3.144 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](C)CC(C)C)C1 ZINC001104937504 1366231279 /nfs/dbraw/zinc/23/12/79/1366231279.db2.gz BHIKTFCHOBZWHX-IPMKNSEASA-N 2 1 339.568 3.085 20 0 EGADMP CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001105395589 1366443959 /nfs/dbraw/zinc/44/39/59/1366443959.db2.gz APOFHJAAUKYEER-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396202 1366444531 /nfs/dbraw/zinc/44/45/31/1366444531.db2.gz JLFRKZSNNXYTTL-PXNSSMCTSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105518300 1366505417 /nfs/dbraw/zinc/50/54/17/1366505417.db2.gz WFBWLPRLCSJKND-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001105541596 1366520154 /nfs/dbraw/zinc/52/01/54/1366520154.db2.gz FDMXXBSDXUKDSV-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C2(C[NH2+]CC)CCC2)C1 ZINC001105556952 1366529828 /nfs/dbraw/zinc/52/98/28/1366529828.db2.gz TUTHJWDSHNLIGD-RTBURBONSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2C)CCC1 ZINC001105568307 1366536334 /nfs/dbraw/zinc/53/63/34/1366536334.db2.gz LAVDMSHATXMWHJ-GOSISDBHSA-N 2 1 346.519 3.133 20 0 EGADMP C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001106350090 1366664850 /nfs/dbraw/zinc/66/48/50/1366664850.db2.gz XPOXILROXHYXMH-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2cccc(C)c2)[C@H](C)C1 ZINC001106910710 1366830597 /nfs/dbraw/zinc/83/05/97/1366830597.db2.gz KZBHYNJXXWJDOS-WSTZPKSXSA-N 2 1 345.531 3.082 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCC2CCC2)[C@H](C)C1 ZINC001107037232 1366862516 /nfs/dbraw/zinc/86/25/16/1366862516.db2.gz XWLBCHMBAMMNAU-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCC1)CC2 ZINC001107442674 1366964977 /nfs/dbraw/zinc/96/49/77/1366964977.db2.gz JHBPSRQDKDMLCO-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2 ZINC001107442674 1366964979 /nfs/dbraw/zinc/96/49/79/1366964979.db2.gz JHBPSRQDKDMLCO-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2 ZINC001107442674 1366964980 /nfs/dbraw/zinc/96/49/80/1366964980.db2.gz JHBPSRQDKDMLCO-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1=CCCCC1)CC2)[NH+](C)C ZINC001107450475 1366968270 /nfs/dbraw/zinc/96/82/70/1366968270.db2.gz IIJPWYXEFCZILX-SFHLNBCPSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)CC3([NH+](C)C)CCCC3)CCC[C@@H]12 ZINC001107488403 1366989946 /nfs/dbraw/zinc/98/99/46/1366989946.db2.gz GZHQIRZSRVWAIF-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@]2(C)CCC[N@@H+](CC3CC3)C2)CCCCC1 ZINC001324947973 1387844089 /nfs/dbraw/zinc/84/40/89/1387844089.db2.gz NRQKCNULZODAPJ-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(C)C ZINC001109308053 1367047789 /nfs/dbraw/zinc/04/77/89/1367047789.db2.gz MQTYTUDDXFNOPK-MHORFTMASA-N 2 1 344.503 3.084 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001109308053 1367047791 /nfs/dbraw/zinc/04/77/91/1367047791.db2.gz MQTYTUDDXFNOPK-MHORFTMASA-N 2 1 344.503 3.084 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1=CCCCC1)CC2 ZINC001107583304 1367056801 /nfs/dbraw/zinc/05/68/01/1367056801.db2.gz VWRQSXIOVHYIAT-TZIWHRDSSA-N 2 1 347.547 3.189 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643280 1367089437 /nfs/dbraw/zinc/08/94/37/1367089437.db2.gz FLCMZQAKXUTLHB-SFHLNBCPSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CC(C)(C)C1)CC2 ZINC001107646066 1367090022 /nfs/dbraw/zinc/09/00/22/1367090022.db2.gz AOLDGBLMUNLYGC-WIYYLYMNSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(C)(C)C1)CC2 ZINC001107646066 1367090029 /nfs/dbraw/zinc/09/00/29/1367090029.db2.gz AOLDGBLMUNLYGC-WIYYLYMNSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(C)(C)C1)CC2 ZINC001107646066 1367090035 /nfs/dbraw/zinc/09/00/35/1367090035.db2.gz AOLDGBLMUNLYGC-WIYYLYMNSA-N 2 1 349.563 3.124 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109396404 1367102939 /nfs/dbraw/zinc/10/29/39/1367102939.db2.gz DIVXOTLZOHXPRJ-DIYYGHKSSA-N 2 1 347.547 3.042 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001109396404 1367102943 /nfs/dbraw/zinc/10/29/43/1367102943.db2.gz DIVXOTLZOHXPRJ-DIYYGHKSSA-N 2 1 347.547 3.042 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001109396404 1367102945 /nfs/dbraw/zinc/10/29/45/1367102945.db2.gz DIVXOTLZOHXPRJ-DIYYGHKSSA-N 2 1 347.547 3.042 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190177135 1367191916 /nfs/dbraw/zinc/19/19/16/1367191916.db2.gz PPQJGSSHAMAUNC-HPFMTEOYSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190213069 1367200704 /nfs/dbraw/zinc/20/07/04/1367200704.db2.gz UULVBOMPGXOXJI-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001186081926 1387862182 /nfs/dbraw/zinc/86/21/82/1387862182.db2.gz FMUFRAMYZYVGTH-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001186083193 1387862213 /nfs/dbraw/zinc/86/22/13/1387862213.db2.gz VBYNNHCWAZAGHN-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccsc1)[NH+](CC)CC ZINC001109714660 1367289796 /nfs/dbraw/zinc/28/97/96/1367289796.db2.gz RVNRMZIHALWOGA-OWSLCNJRSA-N 2 1 349.544 3.090 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccsc1)[NH+](CC)CC ZINC001109714660 1367289800 /nfs/dbraw/zinc/28/98/00/1367289800.db2.gz RVNRMZIHALWOGA-OWSLCNJRSA-N 2 1 349.544 3.090 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1)CC(C)(C)C ZINC001109724198 1367293655 /nfs/dbraw/zinc/29/36/55/1367293655.db2.gz GUKCLEJZDQBARW-QYZOEREBSA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1)CC(C)(C)C ZINC001109724198 1367293660 /nfs/dbraw/zinc/29/36/60/1367293660.db2.gz GUKCLEJZDQBARW-QYZOEREBSA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1)CC(C)(C)C ZINC001109724198 1367293666 /nfs/dbraw/zinc/29/36/66/1367293666.db2.gz GUKCLEJZDQBARW-QYZOEREBSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191049920 1367410238 /nfs/dbraw/zinc/41/02/38/1367410238.db2.gz CUUSMCUIUNMQKJ-LJQANCHMSA-N 2 1 346.519 3.021 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082183 1367420545 /nfs/dbraw/zinc/42/05/45/1367420545.db2.gz VFOOIQWJZVUBCB-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191082183 1367420548 /nfs/dbraw/zinc/42/05/48/1367420548.db2.gz VFOOIQWJZVUBCB-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191082183 1367420552 /nfs/dbraw/zinc/42/05/52/1367420552.db2.gz VFOOIQWJZVUBCB-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001110147983 1367526118 /nfs/dbraw/zinc/52/61/18/1367526118.db2.gz BSYQQMUUMBXMJY-AABGKKOBSA-N 2 1 345.531 3.084 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110149347 1367526329 /nfs/dbraw/zinc/52/63/29/1367526329.db2.gz CWKNZPASWVKXAX-QYZOEREBSA-N 2 1 335.536 3.164 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CC[C@H]([N@@H+](C)CC3=CCCCC3)C2)CCCC1 ZINC001191561418 1367528400 /nfs/dbraw/zinc/52/84/00/1367528400.db2.gz MIVABZTYVJXZCF-IBGZPJMESA-N 2 1 347.547 3.284 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188603 1367556166 /nfs/dbraw/zinc/55/61/66/1367556166.db2.gz IQQFECNABYLACO-HBPFPQFOSA-N 2 1 347.547 3.330 20 0 EGADMP CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001108770534 1367586260 /nfs/dbraw/zinc/58/62/60/1367586260.db2.gz RVXOTUZETISLJH-BZSNNMDCSA-N 2 1 346.519 3.166 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCCCC2)C1 ZINC001192046708 1367673767 /nfs/dbraw/zinc/67/37/67/1367673767.db2.gz OWFQYGJBVXSQPI-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1)[NH+](CC)CC ZINC001192324883 1367752192 /nfs/dbraw/zinc/75/21/92/1367752192.db2.gz ISHCLQFENNUBSD-ZWKOTPCHSA-N 2 1 339.568 3.466 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C)C1)[NH+](CC)CC ZINC001192325062 1367752495 /nfs/dbraw/zinc/75/24/95/1367752495.db2.gz JRPGDJNOLWNUNU-PMACEKPBSA-N 2 1 345.531 3.148 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1)[NH+](CC)CC ZINC001192324876 1367752579 /nfs/dbraw/zinc/75/25/79/1367752579.db2.gz ISHCLQFENNUBSD-QZTJIDSGSA-N 2 1 339.568 3.466 20 0 EGADMP C[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001192656408 1367843999 /nfs/dbraw/zinc/84/39/99/1367843999.db2.gz RZZTZJAZQFSNQW-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCC(C)(C)C)C1 ZINC001192672629 1367847651 /nfs/dbraw/zinc/84/76/51/1367847651.db2.gz WDERMLBRJXQNSQ-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001192672629 1367847655 /nfs/dbraw/zinc/84/76/55/1367847655.db2.gz WDERMLBRJXQNSQ-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001192672629 1367847659 /nfs/dbraw/zinc/84/76/59/1367847659.db2.gz WDERMLBRJXQNSQ-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP C[N@@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192680414 1367848496 /nfs/dbraw/zinc/84/84/96/1367848496.db2.gz QHRYIKDUZWBVHW-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001192866385 1367891854 /nfs/dbraw/zinc/89/18/54/1367891854.db2.gz KEVQGEAKPAQCHJ-IBGZPJMESA-N 2 1 344.503 3.005 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001192866385 1367891859 /nfs/dbraw/zinc/89/18/59/1367891859.db2.gz KEVQGEAKPAQCHJ-IBGZPJMESA-N 2 1 344.503 3.005 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917019 1367903972 /nfs/dbraw/zinc/90/39/72/1367903972.db2.gz HRFYPOPQYNQBBM-ZWKOTPCHSA-N 2 1 325.541 3.076 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001110683284 1367925282 /nfs/dbraw/zinc/92/52/82/1367925282.db2.gz YDGGLVHNKIOJRP-WTGUMLROSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001110683284 1367925288 /nfs/dbraw/zinc/92/52/88/1367925288.db2.gz YDGGLVHNKIOJRP-WTGUMLROSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001110683284 1367925293 /nfs/dbraw/zinc/92/52/93/1367925293.db2.gz YDGGLVHNKIOJRP-WTGUMLROSA-N 2 1 347.547 3.163 20 0 EGADMP CCCc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)CC)C2)cc1 ZINC001193291208 1367990850 /nfs/dbraw/zinc/99/08/50/1367990850.db2.gz FYNXZTKWMJDEGU-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCCc1ccc(C[NH+](C)[C@H]2CCN(C(=O)CC[N@H+](C)CC)C2)cc1 ZINC001193291208 1367990853 /nfs/dbraw/zinc/99/08/53/1367990853.db2.gz FYNXZTKWMJDEGU-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCCc1ccc(C[NH+](C)[C@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001193291208 1367990868 /nfs/dbraw/zinc/99/08/68/1367990868.db2.gz FYNXZTKWMJDEGU-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110857916 1368038541 /nfs/dbraw/zinc/03/85/41/1368038541.db2.gz WXBDEVGDYXTSEW-QRVBRYPASA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001110857916 1368038551 /nfs/dbraw/zinc/03/85/51/1368038551.db2.gz WXBDEVGDYXTSEW-QRVBRYPASA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001110857916 1368038560 /nfs/dbraw/zinc/03/85/60/1368038560.db2.gz WXBDEVGDYXTSEW-QRVBRYPASA-N 2 1 335.536 3.163 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110885937 1368059717 /nfs/dbraw/zinc/05/97/17/1368059717.db2.gz DLEKQDOYULPUQS-IWOQZAADSA-N 2 1 347.547 3.329 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2C(C)C)C1 ZINC001193643359 1368082495 /nfs/dbraw/zinc/08/24/95/1368082495.db2.gz SURPZZMPWSYEJP-IBGZPJMESA-N 2 1 345.531 3.185 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C(C)C)C1 ZINC001193643359 1368082501 /nfs/dbraw/zinc/08/25/01/1368082501.db2.gz SURPZZMPWSYEJP-IBGZPJMESA-N 2 1 345.531 3.185 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C(C)C)C1 ZINC001193643359 1368082506 /nfs/dbraw/zinc/08/25/06/1368082506.db2.gz SURPZZMPWSYEJP-IBGZPJMESA-N 2 1 345.531 3.185 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCCC2)CC1 ZINC001110954703 1368121258 /nfs/dbraw/zinc/12/12/58/1368121258.db2.gz VMGWBIBKKUALOL-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)[NH+](CC)CC ZINC001111018267 1368144234 /nfs/dbraw/zinc/14/42/34/1368144234.db2.gz OOQMGPSCDOHQDI-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C)C(C)C ZINC001111164017 1368173983 /nfs/dbraw/zinc/17/39/83/1368173983.db2.gz FANSBDUDUFFZRX-YRXWBPOGSA-N 2 1 335.536 3.041 20 0 EGADMP CC1CCC(C[N@@H+](C)[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001194229624 1368213111 /nfs/dbraw/zinc/21/31/11/1368213111.db2.gz ZABLXLLTZJKGFY-MHJFOBGBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001194245526 1368216783 /nfs/dbraw/zinc/21/67/83/1368216783.db2.gz BTSIPAILXSIIMJ-SFHVURJKSA-N 2 1 349.494 3.034 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194274437 1368221998 /nfs/dbraw/zinc/22/19/98/1368221998.db2.gz HULUXNHTDDTRSH-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275184 1368222866 /nfs/dbraw/zinc/22/28/66/1368222866.db2.gz PSOWOMCBUZSJSB-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CCC(C)C)C2)o1 ZINC001194407082 1368254904 /nfs/dbraw/zinc/25/49/04/1368254904.db2.gz HDPFNXOXJADVRS-KRWDZBQOSA-N 2 1 349.519 3.314 20 0 EGADMP C[N@@H+](CC1=CCCCC1)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194419903 1368257678 /nfs/dbraw/zinc/25/76/78/1368257678.db2.gz KRFXZPRUHCZYNI-FQEVSTJZSA-N 2 1 347.547 3.286 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1=CCCCC1 ZINC001111298624 1368258520 /nfs/dbraw/zinc/25/85/20/1368258520.db2.gz IBRRMSOSCSPEFF-AQNXPRMDSA-N 2 1 347.547 3.330 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111458532 1368309813 /nfs/dbraw/zinc/30/98/13/1368309813.db2.gz DHFYNGRSQNCMEW-GESBFJBKSA-N 2 1 347.547 3.330 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467443 1368312172 /nfs/dbraw/zinc/31/21/72/1368312172.db2.gz JDDUXVJCOBUNQP-MVUOPPMJSA-N 2 1 347.547 3.185 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467509 1368312281 /nfs/dbraw/zinc/31/22/81/1368312281.db2.gz LTTFFBVZTYAXOH-ZRNYENFQSA-N 2 1 349.563 3.265 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001111494612 1368321558 /nfs/dbraw/zinc/32/15/58/1368321558.db2.gz YLGOUSDGQSKFCE-AQNXPRMDSA-N 2 1 347.547 3.164 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001111740739 1368437666 /nfs/dbraw/zinc/43/76/66/1368437666.db2.gz LWZUMTCSQLRYRX-ZVDOUQERSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001111740739 1368437669 /nfs/dbraw/zinc/43/76/69/1368437669.db2.gz LWZUMTCSQLRYRX-ZVDOUQERSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001111740739 1368437672 /nfs/dbraw/zinc/43/76/72/1368437672.db2.gz LWZUMTCSQLRYRX-ZVDOUQERSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC(C)C)C2)[NH+](CC)CC ZINC001111869759 1368516912 /nfs/dbraw/zinc/51/69/12/1368516912.db2.gz IPJAFVIHVNHMPN-BJLQDIEVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001196060508 1368542674 /nfs/dbraw/zinc/54/26/74/1368542674.db2.gz YMCGQJGJLHDILI-LIXSYLKWSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001196060508 1368542676 /nfs/dbraw/zinc/54/26/76/1368542676.db2.gz YMCGQJGJLHDILI-LIXSYLKWSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001196060508 1368542677 /nfs/dbraw/zinc/54/26/77/1368542677.db2.gz YMCGQJGJLHDILI-LIXSYLKWSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163257 1368560195 /nfs/dbraw/zinc/56/01/95/1368560195.db2.gz KZIXWGRTRMSCGB-WRFKIARRSA-N 2 1 344.503 3.041 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163257 1368560197 /nfs/dbraw/zinc/56/01/97/1368560197.db2.gz KZIXWGRTRMSCGB-WRFKIARRSA-N 2 1 344.503 3.041 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N[C@]12CCC[C@H]1C[N@@H+](CCC1CC1)C2 ZINC001111987386 1368592512 /nfs/dbraw/zinc/59/25/12/1368592512.db2.gz YWICEDJLORNTNH-FPOVZHCZSA-N 2 1 347.547 3.023 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+]([C@H](C)c2cccc(C)c2)CC1 ZINC001196340529 1368593090 /nfs/dbraw/zinc/59/30/90/1368593090.db2.gz IFIFIUVRCBPLJQ-GOSISDBHSA-N 2 1 345.531 3.321 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+]([C@H](C)c2cccc(C)c2)CC1 ZINC001196340529 1368593091 /nfs/dbraw/zinc/59/30/91/1368593091.db2.gz IFIFIUVRCBPLJQ-GOSISDBHSA-N 2 1 345.531 3.321 20 0 EGADMP COC[C@H]1CCC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001196906658 1368711718 /nfs/dbraw/zinc/71/17/18/1368711718.db2.gz CKAWDUJENOASFZ-OAQYLSRUSA-N 2 1 330.516 3.442 20 0 EGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC001196935381 1368716133 /nfs/dbraw/zinc/71/61/33/1368716133.db2.gz HNRCKKNBMQITQO-LEWJYISDSA-N 2 1 348.506 3.316 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001197187296 1368761499 /nfs/dbraw/zinc/76/14/99/1368761499.db2.gz DFCIJPPBEMHZIX-SFHVURJKSA-N 2 1 345.531 3.260 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001197187296 1368761503 /nfs/dbraw/zinc/76/15/03/1368761503.db2.gz DFCIJPPBEMHZIX-SFHVURJKSA-N 2 1 345.531 3.260 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001197187296 1368761507 /nfs/dbraw/zinc/76/15/07/1368761507.db2.gz DFCIJPPBEMHZIX-SFHVURJKSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCCN(C(=O)C[NH+](CC)CC)CC1 ZINC001197510527 1368829961 /nfs/dbraw/zinc/82/99/61/1368829961.db2.gz DFZJKNCGHSQHMG-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP CC(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001112410824 1368831012 /nfs/dbraw/zinc/83/10/12/1368831012.db2.gz QZDXXWQGZSMREH-ZJOUEHCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](C[C@@H](C)CC)CC1 ZINC001197794919 1368899329 /nfs/dbraw/zinc/89/93/29/1368899329.db2.gz POESVFFDLLHWLN-IBGZPJMESA-N 2 1 339.568 3.469 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197801786 1368900949 /nfs/dbraw/zinc/90/09/49/1368900949.db2.gz CVHPBXFQNSMKIK-QUCCMNQESA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197801786 1368900951 /nfs/dbraw/zinc/90/09/51/1368900951.db2.gz CVHPBXFQNSMKIK-QUCCMNQESA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@@H](C)C[NH+]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001197801786 1368900963 /nfs/dbraw/zinc/90/09/63/1368900963.db2.gz CVHPBXFQNSMKIK-QUCCMNQESA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@@H](C)C[NH+]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001197801786 1368900964 /nfs/dbraw/zinc/90/09/64/1368900964.db2.gz CVHPBXFQNSMKIK-QUCCMNQESA-N 2 1 345.531 3.260 20 0 EGADMP CCCc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)CCC)CC2)cc1 ZINC001197914259 1368923529 /nfs/dbraw/zinc/92/35/29/1368923529.db2.gz NQQWIHMCPIPZMD-UHFFFAOYSA-N 2 1 345.531 3.015 20 0 EGADMP CCCc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)CCC)CC2)cc1 ZINC001197914259 1368923532 /nfs/dbraw/zinc/92/35/32/1368923532.db2.gz NQQWIHMCPIPZMD-UHFFFAOYSA-N 2 1 345.531 3.015 20 0 EGADMP CCCc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)CCC)CC2)cc1 ZINC001197914259 1368923535 /nfs/dbraw/zinc/92/35/35/1368923535.db2.gz NQQWIHMCPIPZMD-UHFFFAOYSA-N 2 1 345.531 3.015 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[NH+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001198259068 1368992320 /nfs/dbraw/zinc/99/23/20/1368992320.db2.gz KKNXHLYNQDJDCT-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[N@H+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001198259068 1368992325 /nfs/dbraw/zinc/99/23/25/1368992325.db2.gz KKNXHLYNQDJDCT-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[N@@H+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001198259068 1368992326 /nfs/dbraw/zinc/99/23/26/1368992326.db2.gz KKNXHLYNQDJDCT-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC001113433565 1369424287 /nfs/dbraw/zinc/42/42/87/1369424287.db2.gz QUTGMTMNCGUYPF-UHFFFAOYSA-N 2 1 344.503 3.006 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c(OC(F)F)c1 ZINC001200811530 1369432064 /nfs/dbraw/zinc/43/20/64/1369432064.db2.gz FKURQVYKOSVKRX-UONOGXRCSA-N 2 1 328.403 3.259 20 0 EGADMP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001201229660 1369499816 /nfs/dbraw/zinc/49/98/16/1369499816.db2.gz FPTDGQMBIJOJJP-OALUTQOASA-N 2 1 349.563 3.410 20 0 EGADMP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001201399957 1369536739 /nfs/dbraw/zinc/53/67/39/1369536739.db2.gz LPBFWEVVUFPLGO-ZMBJWTFHSA-N 2 1 335.536 3.044 20 0 EGADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC001201408215 1369538546 /nfs/dbraw/zinc/53/85/46/1369538546.db2.gz CDAIUYYNCSRNCX-MSOLQXFVSA-N 2 1 334.504 3.082 20 0 EGADMP CC(C)(C)C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001201436267 1369545607 /nfs/dbraw/zinc/54/56/07/1369545607.db2.gz SNPLXUWOIPNWEM-UHFFFAOYSA-N 2 1 331.504 3.042 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001186824616 1388011458 /nfs/dbraw/zinc/01/14/58/1388011458.db2.gz BXIUZMBOYXUUGM-YLJYHZDGSA-N 2 1 345.531 3.403 20 0 EGADMP CC(C)CC[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001201620172 1369592152 /nfs/dbraw/zinc/59/21/52/1369592152.db2.gz INYWVRKHEIMSKH-UHFFFAOYSA-N 2 1 331.504 3.042 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001201705777 1369609332 /nfs/dbraw/zinc/60/93/32/1369609332.db2.gz GERYQJVQRFCYES-IBGZPJMESA-N 2 1 331.504 3.185 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001202179511 1369709165 /nfs/dbraw/zinc/70/91/65/1369709165.db2.gz XJUOUZABTNPQMZ-LUNNPTDRSA-N 2 1 335.536 3.044 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001202771295 1369885596 /nfs/dbraw/zinc/88/55/96/1369885596.db2.gz ALNLVBXIEBWNQS-LJQANCHMSA-N 2 1 337.552 3.410 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001202862984 1369911113 /nfs/dbraw/zinc/91/11/13/1369911113.db2.gz HYBJTKIXJWURTF-UHDDOPSISA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001202872258 1369913632 /nfs/dbraw/zinc/91/36/32/1369913632.db2.gz CTBZEQKICLBGJD-RTBURBONSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203100827 1369983499 /nfs/dbraw/zinc/98/34/99/1369983499.db2.gz ACVWOSOHLUHMBI-ZWKOTPCHSA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]CC/C=C/c2ccccc2)CC1 ZINC001203208913 1370024560 /nfs/dbraw/zinc/02/45/60/1370024560.db2.gz NXHHALSTGJEMSQ-YRNVUSSQSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2c(n1)CCC2 ZINC001203357123 1370096714 /nfs/dbraw/zinc/09/67/14/1370096714.db2.gz HAKKAMQVCAYIGV-FXAWDEMLSA-N 2 1 335.495 3.428 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2c(n1)CCC2 ZINC001203357123 1370096720 /nfs/dbraw/zinc/09/67/20/1370096720.db2.gz HAKKAMQVCAYIGV-FXAWDEMLSA-N 2 1 335.495 3.428 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc2n[nH]cc21 ZINC001203357636 1370097037 /nfs/dbraw/zinc/09/70/37/1370097037.db2.gz MDFBLBJREFUALB-LPHOPBHVSA-N 2 1 334.467 3.421 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21)[NH+](CC)CC ZINC001114828833 1370101387 /nfs/dbraw/zinc/10/13/87/1370101387.db2.gz LAPIQOYFNIPEQX-ZGXWSNOMSA-N 2 1 347.547 3.044 20 0 EGADMP CCCCC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203451159 1370131646 /nfs/dbraw/zinc/13/16/46/1370131646.db2.gz IPICZXHCMUBCBN-SJORKVTESA-N 2 1 346.519 3.214 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203576550 1370176761 /nfs/dbraw/zinc/17/67/61/1370176761.db2.gz FYXKCMXHUGXSEE-IRXDYDNUSA-N 2 1 337.552 3.172 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203576489 1370176805 /nfs/dbraw/zinc/17/68/05/1370176805.db2.gz DWVKBJWMZPTTRN-OALUTQOASA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203578167 1370177486 /nfs/dbraw/zinc/17/74/86/1370177486.db2.gz ULWMLONBWOOWDX-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203629933 1370193322 /nfs/dbraw/zinc/19/33/22/1370193322.db2.gz DVXBYMNWVIGYJG-OALUTQOASA-N 2 1 347.547 3.236 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203650495 1370201564 /nfs/dbraw/zinc/20/15/64/1370201564.db2.gz HYYDLZDJZMBBNN-MOPGFXCFSA-N 2 1 349.563 3.316 20 0 EGADMP Cc1ccccc1C[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001203706872 1370229064 /nfs/dbraw/zinc/22/90/64/1370229064.db2.gz TUMNQKIEPGLOBS-LEWJYISDSA-N 2 1 328.500 3.318 20 0 EGADMP Cc1ccccc1C[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001203706872 1370229069 /nfs/dbraw/zinc/22/90/69/1370229069.db2.gz TUMNQKIEPGLOBS-LEWJYISDSA-N 2 1 328.500 3.318 20 0 EGADMP Cc1ccccc1C[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001203706872 1370229074 /nfs/dbraw/zinc/22/90/74/1370229074.db2.gz TUMNQKIEPGLOBS-LEWJYISDSA-N 2 1 328.500 3.318 20 0 EGADMP Cc1ccccc1C[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001203706872 1370229079 /nfs/dbraw/zinc/22/90/79/1370229079.db2.gz TUMNQKIEPGLOBS-LEWJYISDSA-N 2 1 328.500 3.318 20 0 EGADMP C[NH+](C)CCN1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC001203812279 1370273899 /nfs/dbraw/zinc/27/38/99/1370273899.db2.gz RWBRSKKRSLZLEO-UHFFFAOYSA-N 2 1 339.483 3.158 20 0 EGADMP CCOc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001203961562 1370332056 /nfs/dbraw/zinc/33/20/56/1370332056.db2.gz GKAUTAHFNZRPAG-KDURUIRLSA-N 2 1 337.467 3.044 20 0 EGADMP CCOc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001203961562 1370332062 /nfs/dbraw/zinc/33/20/62/1370332062.db2.gz GKAUTAHFNZRPAG-KDURUIRLSA-N 2 1 337.467 3.044 20 0 EGADMP c1nc2n(c1C[NH+]1CCCC1)CC[N@H+](Cc1c[nH]c3ccccc13)CC2 ZINC001204043818 1370358440 /nfs/dbraw/zinc/35/84/40/1370358440.db2.gz FFSUJOAYXAEFHF-UHFFFAOYSA-N 2 1 349.482 3.019 20 0 EGADMP COC1CC[NH+](C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)CC1 ZINC001204046745 1370359170 /nfs/dbraw/zinc/35/91/70/1370359170.db2.gz VMRFBPYPEGVZIE-UHFFFAOYSA-N 2 1 327.472 3.243 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CCC1(F)F ZINC001204262942 1370425373 /nfs/dbraw/zinc/42/53/73/1370425373.db2.gz BXARKAPTHUJASY-HNNXBMFYSA-N 2 1 326.431 3.494 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CCC1(F)F ZINC001204262943 1370425622 /nfs/dbraw/zinc/42/56/22/1370425622.db2.gz BXARKAPTHUJASY-OAHLLOKOSA-N 2 1 326.431 3.494 20 0 EGADMP Cn1cncc1C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001204386390 1370462495 /nfs/dbraw/zinc/46/24/95/1370462495.db2.gz WOARXSCPYKWRSO-UHFFFAOYSA-N 2 1 338.499 3.298 20 0 EGADMP Fc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc(N2CCCC2)c1 ZINC001204748732 1370564700 /nfs/dbraw/zinc/56/47/00/1370564700.db2.gz SBGVZHCFVBKSAU-UHFFFAOYSA-N 2 1 331.479 3.392 20 0 EGADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc3cc(Br)ccc3c2)CCO1 ZINC001204756655 1370568135 /nfs/dbraw/zinc/56/81/35/1370568135.db2.gz RCUNVHOEPMLISI-QGZVFWFLSA-N 2 1 349.272 3.152 20 0 EGADMP Cc1cc(C[N@@H+]2CCO[C@@H](CC[NH3+])C2)ccc1OCc1ccccc1 ZINC001204757273 1370568335 /nfs/dbraw/zinc/56/83/35/1370568335.db2.gz XSBKUYWUTDPBPD-FQEVSTJZSA-N 2 1 340.467 3.124 20 0 EGADMP Cc1cc(C[N@H+]2CCO[C@@H](CC[NH3+])C2)ccc1OCc1ccccc1 ZINC001204757273 1370568337 /nfs/dbraw/zinc/56/83/37/1370568337.db2.gz XSBKUYWUTDPBPD-FQEVSTJZSA-N 2 1 340.467 3.124 20 0 EGADMP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC001115573100 1370576072 /nfs/dbraw/zinc/57/60/72/1370576072.db2.gz HZWDGYAJKVPEAZ-KRWDZBQOSA-N 2 1 346.519 3.359 20 0 EGADMP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115598558 1370599004 /nfs/dbraw/zinc/59/90/04/1370599004.db2.gz SJWVAYZJLQWJFO-XDXAGZTOSA-N 2 1 335.536 3.236 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccc(OC)cc3)s2)C1 ZINC001205009266 1370627248 /nfs/dbraw/zinc/62/72/48/1370627248.db2.gz LUVVAGDPPMRCGK-AWEZNQCLSA-N 2 1 331.485 3.250 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccc(OC)cc3)s2)C1 ZINC001205009266 1370627256 /nfs/dbraw/zinc/62/72/56/1370627256.db2.gz LUVVAGDPPMRCGK-AWEZNQCLSA-N 2 1 331.485 3.250 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001205016298 1370628925 /nfs/dbraw/zinc/62/89/25/1370628925.db2.gz IHGUEKOTXYGASD-CYBMUJFWSA-N 2 1 334.357 3.355 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001205016298 1370628929 /nfs/dbraw/zinc/62/89/29/1370628929.db2.gz IHGUEKOTXYGASD-CYBMUJFWSA-N 2 1 334.357 3.355 20 0 EGADMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)cn1 ZINC001205023548 1370631837 /nfs/dbraw/zinc/63/18/37/1370631837.db2.gz QHFZYLSYMZRBNQ-UHFFFAOYSA-N 2 1 338.499 3.298 20 0 EGADMP COc1cc(F)ccc1-c1cncc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205124542 1370657657 /nfs/dbraw/zinc/65/76/57/1370657657.db2.gz UPHHIENZUIUZJN-KRWDZBQOSA-N 2 1 329.419 3.210 20 0 EGADMP C[C@@H](c1nccc2ccccc21)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001205163251 1370667157 /nfs/dbraw/zinc/66/71/57/1370667157.db2.gz XXMYCPBYOIPUFB-SFHVURJKSA-N 2 1 338.499 3.009 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2c(Cl)cccc2C(F)(F)F)CC1 ZINC001205230688 1370688705 /nfs/dbraw/zinc/68/87/05/1370688705.db2.gz TYDOYQLOSZXILJ-CQSZACIVSA-N 2 1 336.785 3.035 20 0 EGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2nc3ccc(Br)cc3o2)CC1 ZINC001205295970 1370710394 /nfs/dbraw/zinc/71/03/94/1370710394.db2.gz DQPCZBYEXLJVBZ-OAHLLOKOSA-N 2 1 338.249 3.294 20 0 EGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2nc3ccc(Br)cc3o2)CC1 ZINC001205295970 1370710398 /nfs/dbraw/zinc/71/03/98/1370710398.db2.gz DQPCZBYEXLJVBZ-OAHLLOKOSA-N 2 1 338.249 3.294 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CCC3CCCC3)CCCCC2)C1 ZINC001115729631 1370711367 /nfs/dbraw/zinc/71/13/67/1370711367.db2.gz NHMGHRWEENUTCB-GOSISDBHSA-N 2 1 349.563 3.317 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc3cc(Br)ccc3n2)C[C@@H]1C[NH3+] ZINC001205305872 1370715024 /nfs/dbraw/zinc/71/50/24/1370715024.db2.gz TUBFCMNIOXWJMJ-OCCSQVGLSA-N 2 1 348.288 3.414 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C[C@H]1C[NH3+] ZINC001205306343 1370715227 /nfs/dbraw/zinc/71/52/27/1370715227.db2.gz VOORKRCBQGLNLM-WCQYABFASA-N 2 1 334.357 3.340 20 0 EGADMP C[C@H]1CC[N@H+](Cc2c[nH]c3c2cccc3Br)C[C@@H]1C[NH3+] ZINC001205305944 1370715473 /nfs/dbraw/zinc/71/54/73/1370715473.db2.gz UQIKKZDATNEDMB-RYUDHWBXSA-N 2 1 336.277 3.347 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3Br)C[C@@H]1C[NH3+] ZINC001205305944 1370715479 /nfs/dbraw/zinc/71/54/79/1370715479.db2.gz UQIKKZDATNEDMB-RYUDHWBXSA-N 2 1 336.277 3.347 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(O)c(OCc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC001205317343 1370718775 /nfs/dbraw/zinc/71/87/75/1370718775.db2.gz OCLKKAXBSWDVHG-APWZRJJASA-N 2 1 340.467 3.388 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001205420280 1370748986 /nfs/dbraw/zinc/74/89/86/1370748986.db2.gz NFMZXBZAXHPIGN-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001205549459 1370787726 /nfs/dbraw/zinc/78/77/26/1370787726.db2.gz VBVVEPCTOVFYIV-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2[nH]c(-c3ccccc3)nc2Cl)CC1 ZINC001205559004 1370791590 /nfs/dbraw/zinc/79/15/90/1370791590.db2.gz MZCQBAGSNHLNAV-QGZVFWFLSA-N 2 1 336.842 3.383 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CC1 ZINC001205578612 1370798831 /nfs/dbraw/zinc/79/88/31/1370798831.db2.gz GYRMSYPASNXGSB-KRWDZBQOSA-N 2 1 338.377 3.008 20 0 EGADMP COc1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205591116 1370802899 /nfs/dbraw/zinc/80/28/99/1370802899.db2.gz DTSCBVGONHDOJV-HNNXBMFYSA-N 2 1 334.357 3.367 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CC1 ZINC001205592091 1370803542 /nfs/dbraw/zinc/80/35/42/1370803542.db2.gz QYFZSVQZKCSNCQ-KRWDZBQOSA-N 2 1 337.826 3.247 20 0 EGADMP COC1CCC(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001205615408 1370811399 /nfs/dbraw/zinc/81/13/99/1370811399.db2.gz OFYCMTWFYGWWQE-JWEZTNTCSA-N 2 1 328.500 3.255 20 0 EGADMP COC1CCC(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001205615408 1370811403 /nfs/dbraw/zinc/81/14/03/1370811403.db2.gz OFYCMTWFYGWWQE-JWEZTNTCSA-N 2 1 328.500 3.255 20 0 EGADMP COC1CCC(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001205615408 1370811411 /nfs/dbraw/zinc/81/14/11/1370811411.db2.gz OFYCMTWFYGWWQE-JWEZTNTCSA-N 2 1 328.500 3.255 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(Br)c2)CC[C@H]1C[NH3+] ZINC001205615809 1370811699 /nfs/dbraw/zinc/81/16/99/1370811699.db2.gz BEWRIPVXNSTIQC-YPMHNXCESA-N 2 1 329.257 3.395 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205618418 1370812710 /nfs/dbraw/zinc/81/27/10/1370812710.db2.gz VVJITXKONMBNDX-JXFKEZNVSA-N 2 1 340.515 3.355 20 0 EGADMP COc1cc(Br)ccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205626915 1370816497 /nfs/dbraw/zinc/81/64/97/1370816497.db2.gz KPQRIIUSFGONHD-QWHCGFSZSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2)CC[C@H]1C[NH3+] ZINC001205626643 1370816771 /nfs/dbraw/zinc/81/67/71/1370816771.db2.gz HPIGYORUCSCNHG-AAEUAGOBSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2)CC[C@H]1C[NH3+] ZINC001205626649 1370816791 /nfs/dbraw/zinc/81/67/91/1370816791.db2.gz HPIGYORUCSCNHG-YPMHNXCESA-N 2 1 329.257 3.395 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)no2)CC[C@H]1C[NH3+] ZINC001205635481 1370820720 /nfs/dbraw/zinc/82/07/20/1370820720.db2.gz AZAFSQYGQXEZOG-WBVHZDCISA-N 2 1 329.444 3.060 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(O)c(OC(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC001205636006 1370820999 /nfs/dbraw/zinc/82/09/99/1370820999.db2.gz BQOMPPZBFLJTRW-AAEUAGOBSA-N 2 1 332.366 3.098 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)CC[C@H]1C[NH3+] ZINC001205636877 1370821711 /nfs/dbraw/zinc/82/17/11/1370821711.db2.gz FUYSOYPPCHRHNE-PXNSSMCTSA-N 2 1 339.483 3.467 20 0 EGADMP CCSc1ncc2cccc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)n21 ZINC001205651616 1370829388 /nfs/dbraw/zinc/82/93/88/1370829388.db2.gz HKUJQCSQNOMOJU-LSDHHAIUSA-N 2 1 332.517 3.253 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC001205663743 1370833633 /nfs/dbraw/zinc/83/36/33/1370833633.db2.gz KOOCHMYRIVQAOZ-FQEVSTJZSA-N 2 1 326.440 3.155 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(F)c(-c3ccccc3)c2)C1 ZINC001205735628 1370855367 /nfs/dbraw/zinc/85/53/67/1370855367.db2.gz OSYCWPXFKKZWPA-FQEVSTJZSA-N 2 1 328.431 3.168 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001116208784 1370860086 /nfs/dbraw/zinc/86/00/86/1370860086.db2.gz HPWYRGNCGORQRP-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001116208784 1370860088 /nfs/dbraw/zinc/86/00/88/1370860088.db2.gz HPWYRGNCGORQRP-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001116208784 1370860095 /nfs/dbraw/zinc/86/00/95/1370860095.db2.gz HPWYRGNCGORQRP-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP CCOC(OCC)c1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205789332 1370871221 /nfs/dbraw/zinc/87/12/21/1370871221.db2.gz YEEOHNOPQILTOD-MRXNPFEDSA-N 2 1 342.430 3.174 20 0 EGADMP CCOC(OCC)c1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205789332 1370871224 /nfs/dbraw/zinc/87/12/24/1370871224.db2.gz YEEOHNOPQILTOD-MRXNPFEDSA-N 2 1 342.430 3.174 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205905285 1370905677 /nfs/dbraw/zinc/90/56/77/1370905677.db2.gz ZYSXVGVKWTYPEF-RYUDHWBXSA-N 2 1 332.366 3.153 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205905285 1370905684 /nfs/dbraw/zinc/90/56/84/1370905684.db2.gz ZYSXVGVKWTYPEF-RYUDHWBXSA-N 2 1 332.366 3.153 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCc1cccc(Br)c1 ZINC001205903002 1370906047 /nfs/dbraw/zinc/90/60/47/1370906047.db2.gz MKJLTUQBOHNVDF-UKRRQHHQSA-N 2 1 325.294 3.441 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205903478 1370906117 /nfs/dbraw/zinc/90/61/17/1370906117.db2.gz PMSHGHDHIREKOM-LSDHHAIUSA-N 2 1 343.471 3.212 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205903478 1370906119 /nfs/dbraw/zinc/90/61/19/1370906119.db2.gz PMSHGHDHIREKOM-LSDHHAIUSA-N 2 1 343.471 3.212 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OCc2ccccc2)nc1 ZINC001205917220 1370910028 /nfs/dbraw/zinc/91/00/28/1370910028.db2.gz XOFFIFKIEUGCEF-VQIMIIECSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(OCc2ccccc2)nc1 ZINC001205917220 1370910030 /nfs/dbraw/zinc/91/00/30/1370910030.db2.gz XOFFIFKIEUGCEF-VQIMIIECSA-N 2 1 325.456 3.220 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)no2)cc1 ZINC001205996713 1370933290 /nfs/dbraw/zinc/93/32/90/1370933290.db2.gz XVZXYHLKHFYGFF-HOCLYGCPSA-N 2 1 329.444 3.157 20 0 EGADMP COc1ccc(Br)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001205996016 1370933356 /nfs/dbraw/zinc/93/33/56/1370933356.db2.gz TVSLJSAUBKLGFN-OLZOCXBDSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CCC[C@H]1C[NH3+] ZINC001206026248 1370941821 /nfs/dbraw/zinc/94/18/21/1370941821.db2.gz RCAVIFBHFIKSQJ-ZBFHGGJFSA-N 2 1 332.879 3.333 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccnc(OCc3ccccc3)c2)CCC[C@H]1C[NH3+] ZINC001206036734 1370945074 /nfs/dbraw/zinc/94/50/74/1370945074.db2.gz PCWZGWSKAUKSFZ-XLIONFOSSA-N 2 1 339.483 3.467 20 0 EGADMP CCOC(=O)c1ccc2c(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)c[nH]c2c1 ZINC001206036865 1370945161 /nfs/dbraw/zinc/94/51/61/1370945161.db2.gz SANVBKRSTGORSR-GOEBONIOSA-N 2 1 343.471 3.151 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1OC(F)(F)F ZINC001206037365 1370946291 /nfs/dbraw/zinc/94/62/91/1370946291.db2.gz VEAJHXABDNJPMV-JSGCOSHPSA-N 2 1 346.393 3.401 20 0 EGADMP COc1ccc2c(OC)ccc(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)c2c1 ZINC001206211734 1370993985 /nfs/dbraw/zinc/99/39/85/1370993985.db2.gz PIKDTGWYMKKVRV-QZTJIDSGSA-N 2 1 332.419 3.118 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304923 1371016788 /nfs/dbraw/zinc/01/67/88/1371016788.db2.gz RPHVJPYGTQVMKF-HXUWFJFHSA-N 2 1 326.488 3.440 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(Br)nc2Cl)CC1 ZINC001206305458 1371016897 /nfs/dbraw/zinc/01/68/97/1371016897.db2.gz ZTJORGGYIDBKHL-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Br)nc2Cl)CC1 ZINC001206305458 1371016901 /nfs/dbraw/zinc/01/69/01/1371016901.db2.gz ZTJORGGYIDBKHL-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(Br)c1 ZINC001206311303 1371017444 /nfs/dbraw/zinc/01/74/44/1371017444.db2.gz MIRVWJNFLMJUKZ-MRXNPFEDSA-N 2 1 341.293 3.409 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(Br)ncc2Cl)CC1 ZINC001206317468 1371020394 /nfs/dbraw/zinc/02/03/94/1371020394.db2.gz GEPHDFDJPNAIFI-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(Br)ncc2Cl)CC1 ZINC001206317468 1371020397 /nfs/dbraw/zinc/02/03/97/1371020397.db2.gz GEPHDFDJPNAIFI-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(O)cc2OC(F)(F)F)CC1 ZINC001206326294 1371024022 /nfs/dbraw/zinc/02/40/22/1371024022.db2.gz MLHFJCARYFWUHT-HNNXBMFYSA-N 2 1 332.366 3.242 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206542229 1371087774 /nfs/dbraw/zinc/08/77/74/1371087774.db2.gz VSERQEYFCWSUCY-HXUWFJFHSA-N 2 1 332.488 3.247 20 0 EGADMP COc1cccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1OCC1CC1 ZINC001206583434 1371100387 /nfs/dbraw/zinc/10/03/87/1371100387.db2.gz UQHIPACMDVFHRU-HXUWFJFHSA-N 2 1 332.488 3.435 20 0 EGADMP COc1cccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1OCC1CC1 ZINC001206583434 1371100393 /nfs/dbraw/zinc/10/03/93/1371100393.db2.gz UQHIPACMDVFHRU-HXUWFJFHSA-N 2 1 332.488 3.435 20 0 EGADMP COC(=O)/C=C/c1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1 ZINC001206597369 1371104262 /nfs/dbraw/zinc/10/42/62/1371104262.db2.gz BGVJMQODUAXDAS-VYENPZKTSA-N 2 1 330.472 3.225 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001206622391 1371111845 /nfs/dbraw/zinc/11/18/45/1371111845.db2.gz BBVCJHKCVNCVMM-LBPRGKRZSA-N 2 1 336.277 3.491 20 0 EGADMP CCCOc1ccc(Br)cc1C[NH2+]CC[C@@H](C)[NH2+]C ZINC001117954095 1371112891 /nfs/dbraw/zinc/11/28/91/1371112891.db2.gz ZEUYUEDXXUATKF-GFCCVEGCSA-N 2 1 329.282 3.326 20 0 EGADMP CC[C@@]1(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC[NH2+]C1 ZINC001118216339 1371148360 /nfs/dbraw/zinc/14/83/60/1371148360.db2.gz GHYWTOJRKMDTDS-OXQOHEQNSA-N 2 1 329.488 3.247 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCCc1cccc(Br)c1 ZINC001206761335 1371156493 /nfs/dbraw/zinc/15/64/93/1371156493.db2.gz WYRZYCDRJVHVDI-ZFWWWQNUSA-N 2 1 325.294 3.441 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)ccc1OC(=O)C(C)C ZINC001206769720 1371159482 /nfs/dbraw/zinc/15/94/82/1371159482.db2.gz PRKFOKFWEOVMKU-WBVHZDCISA-N 2 1 348.487 3.206 20 0 EGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001206772226 1371160995 /nfs/dbraw/zinc/16/09/95/1371160995.db2.gz ZJXGVOIACGAUTD-NEPJUHHUSA-N 2 1 336.277 3.490 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]CC2CCCCC2)CC1 ZINC001206890436 1371209514 /nfs/dbraw/zinc/20/95/14/1371209514.db2.gz RKYNAPYJYRLSFL-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001206952158 1371242580 /nfs/dbraw/zinc/24/25/80/1371242580.db2.gz BECCPUDXFOZQKW-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H](C)C[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953297 1371243397 /nfs/dbraw/zinc/24/33/97/1371243397.db2.gz AJYLPAGRFMMFNE-PXNSSMCTSA-N 2 1 345.531 3.164 20 0 EGADMP CC[C@H](C)C[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953296 1371243675 /nfs/dbraw/zinc/24/36/75/1371243675.db2.gz AJYLPAGRFMMFNE-FXAWDEMLSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](CCOCc3ccccc3)C2)C1 ZINC001207231011 1371335752 /nfs/dbraw/zinc/33/57/52/1371335752.db2.gz IVTCOOHHDULXDC-OAQYLSRUSA-N 2 1 346.515 3.026 20 0 EGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](CCOCc3ccccc3)C2)C1 ZINC001207231011 1371335753 /nfs/dbraw/zinc/33/57/53/1371335753.db2.gz IVTCOOHHDULXDC-OAQYLSRUSA-N 2 1 346.515 3.026 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](CCOCc3ccccc3)C2)C1 ZINC001207231011 1371335760 /nfs/dbraw/zinc/33/57/60/1371335760.db2.gz IVTCOOHHDULXDC-OAQYLSRUSA-N 2 1 346.515 3.026 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](CCOCc3ccccc3)C2)C1 ZINC001207231011 1371335764 /nfs/dbraw/zinc/33/57/64/1371335764.db2.gz IVTCOOHHDULXDC-OAQYLSRUSA-N 2 1 346.515 3.026 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 ZINC001207278863 1371348934 /nfs/dbraw/zinc/34/89/34/1371348934.db2.gz FGYRGCLIFMABBN-CTNGQTDRSA-N 2 1 345.531 3.288 20 0 EGADMP Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)(C)C[NH+](C)C ZINC001207288800 1371351285 /nfs/dbraw/zinc/35/12/85/1371351285.db2.gz VQTINGNPBOHTPQ-BCDXTJNWSA-N 2 1 347.551 3.466 20 0 EGADMP CC[N@@H+](CCn1ccnc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207293361 1371352449 /nfs/dbraw/zinc/35/24/49/1371352449.db2.gz IGTBRGFTLMHHAF-UHFFFAOYSA-N 3 1 326.488 3.117 20 0 EGADMP c1ccc(C[NH+]2CCC(C[NH+]3CC(N4CCCCC4)C3)CC2)cc1 ZINC001207292569 1371352766 /nfs/dbraw/zinc/35/27/66/1371352766.db2.gz UTUYEIWDEVWQIH-UHFFFAOYSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)CC1 ZINC001207397487 1371383938 /nfs/dbraw/zinc/38/39/38/1371383938.db2.gz MJUUTRMFXQWKHM-OAQYLSRUSA-N 2 1 345.506 3.208 20 0 EGADMP C[NH+]1CCC(CN2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)CC1 ZINC001207397487 1371383943 /nfs/dbraw/zinc/38/39/43/1371383943.db2.gz MJUUTRMFXQWKHM-OAQYLSRUSA-N 2 1 345.506 3.208 20 0 EGADMP C[NH+]1CCC(CN2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)CC1 ZINC001207397487 1371383951 /nfs/dbraw/zinc/38/39/51/1371383951.db2.gz MJUUTRMFXQWKHM-OAQYLSRUSA-N 2 1 345.506 3.208 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001207435222 1371395804 /nfs/dbraw/zinc/39/58/04/1371395804.db2.gz KNTMNISGOGWXOQ-DFQSSKMNSA-N 2 1 347.572 3.280 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001207435222 1371395806 /nfs/dbraw/zinc/39/58/06/1371395806.db2.gz KNTMNISGOGWXOQ-DFQSSKMNSA-N 3 1 347.572 3.280 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001207435222 1371395810 /nfs/dbraw/zinc/39/58/10/1371395810.db2.gz KNTMNISGOGWXOQ-DFQSSKMNSA-N 3 1 347.572 3.280 20 0 EGADMP CN(Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001207435222 1371395815 /nfs/dbraw/zinc/39/58/15/1371395815.db2.gz KNTMNISGOGWXOQ-DFQSSKMNSA-N 2 1 347.572 3.280 20 0 EGADMP CN(Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001207435222 1371395818 /nfs/dbraw/zinc/39/58/18/1371395818.db2.gz KNTMNISGOGWXOQ-DFQSSKMNSA-N 2 1 347.572 3.280 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](CCc3ccccc3F)C2)C1 ZINC001207497250 1371415300 /nfs/dbraw/zinc/41/53/00/1371415300.db2.gz ZANGTCQZOGXKCN-HXUWFJFHSA-N 2 1 334.479 3.191 20 0 EGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](CCc3ccccc3F)C2)C1 ZINC001207497250 1371415302 /nfs/dbraw/zinc/41/53/02/1371415302.db2.gz ZANGTCQZOGXKCN-HXUWFJFHSA-N 2 1 334.479 3.191 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](CCc3ccccc3F)C2)C1 ZINC001207497250 1371415307 /nfs/dbraw/zinc/41/53/07/1371415307.db2.gz ZANGTCQZOGXKCN-HXUWFJFHSA-N 2 1 334.479 3.191 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](CCc3ccccc3F)C2)C1 ZINC001207497250 1371415315 /nfs/dbraw/zinc/41/53/15/1371415315.db2.gz ZANGTCQZOGXKCN-HXUWFJFHSA-N 2 1 334.479 3.191 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccc(F)cc1)C2 ZINC001207513754 1371421315 /nfs/dbraw/zinc/42/13/15/1371421315.db2.gz OYAWXEPJQXNDKA-CTNGQTDRSA-N 2 1 346.490 3.049 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCc1ccc(F)cc1)C2 ZINC001207513754 1371421317 /nfs/dbraw/zinc/42/13/17/1371421317.db2.gz OYAWXEPJQXNDKA-CTNGQTDRSA-N 2 1 346.490 3.049 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCc1ccc(F)cc1)C2 ZINC001207513754 1371421320 /nfs/dbraw/zinc/42/13/20/1371421320.db2.gz OYAWXEPJQXNDKA-CTNGQTDRSA-N 2 1 346.490 3.049 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563352 1371435408 /nfs/dbraw/zinc/43/54/08/1371435408.db2.gz QFKAUXDVMXEPOS-NSISKUIASA-N 2 1 343.515 3.059 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207563352 1371435414 /nfs/dbraw/zinc/43/54/14/1371435414.db2.gz QFKAUXDVMXEPOS-NSISKUIASA-N 2 1 343.515 3.059 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207563352 1371435420 /nfs/dbraw/zinc/43/54/20/1371435420.db2.gz QFKAUXDVMXEPOS-NSISKUIASA-N 2 1 343.515 3.059 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)s2)cn1 ZINC001119989952 1371444452 /nfs/dbraw/zinc/44/44/52/1371444452.db2.gz UCVZAXSVTPROAN-ZMSDIMECSA-N 2 1 344.528 3.311 20 0 EGADMP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCCCC1 ZINC001120208425 1371505355 /nfs/dbraw/zinc/50/53/55/1371505355.db2.gz ZFMCUVQEPUXHBG-IAGOWNOFSA-N 2 1 341.515 3.018 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1 ZINC001120208053 1371505551 /nfs/dbraw/zinc/50/55/51/1371505551.db2.gz SGWPSPBCBFKZNO-CTWPCTMYSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@H+](CC1(C)CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001207808612 1371509683 /nfs/dbraw/zinc/50/96/83/1371509683.db2.gz JGVYOYCKYOPGQW-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+](CC1(C)CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001207808612 1371509688 /nfs/dbraw/zinc/50/96/88/1371509688.db2.gz JGVYOYCKYOPGQW-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001120403635 1371563312 /nfs/dbraw/zinc/56/33/12/1371563312.db2.gz ZWAHHAROTFNWIZ-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001120403635 1371563316 /nfs/dbraw/zinc/56/33/16/1371563316.db2.gz ZWAHHAROTFNWIZ-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001120403635 1371563317 /nfs/dbraw/zinc/56/33/17/1371563317.db2.gz ZWAHHAROTFNWIZ-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC2CCCC2)C1 ZINC001120422309 1371569413 /nfs/dbraw/zinc/56/94/13/1371569413.db2.gz LHWFSCZYUUSBMZ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120423886 1371571637 /nfs/dbraw/zinc/57/16/37/1371571637.db2.gz XRGHCVZNJUGWCR-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CC)C1 ZINC001120429806 1371572742 /nfs/dbraw/zinc/57/27/42/1371572742.db2.gz BLNNWQCELWWUIQ-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC)C1 ZINC001120429806 1371572749 /nfs/dbraw/zinc/57/27/49/1371572749.db2.gz BLNNWQCELWWUIQ-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC)C1 ZINC001120429806 1371572755 /nfs/dbraw/zinc/57/27/55/1371572755.db2.gz BLNNWQCELWWUIQ-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CS[C@H](C)CC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001208142264 1371607646 /nfs/dbraw/zinc/60/76/46/1371607646.db2.gz DVZMVYFNDOIBSU-GOSISDBHSA-N 2 1 348.556 3.495 20 0 EGADMP C[NH+](C)CC1(C[N@@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)CCCC1 ZINC001208182033 1371624488 /nfs/dbraw/zinc/62/44/88/1371624488.db2.gz LDFGANADLDXCOZ-HNNXBMFYSA-N 2 1 326.481 3.134 20 0 EGADMP C[NH+](C)CC1(C[N@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)CCCC1 ZINC001208182033 1371624491 /nfs/dbraw/zinc/62/44/91/1371624491.db2.gz LDFGANADLDXCOZ-HNNXBMFYSA-N 2 1 326.481 3.134 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC1(C[NH+](C)C)CCCC1 ZINC001208192318 1371628822 /nfs/dbraw/zinc/62/88/22/1371628822.db2.gz UDYUZTBLBAARIS-IBGZPJMESA-N 2 1 329.532 3.315 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001208281433 1371697805 /nfs/dbraw/zinc/69/78/05/1371697805.db2.gz IILXXMMUKJWEOT-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331547 1371720466 /nfs/dbraw/zinc/72/04/66/1371720466.db2.gz UAOANNGVAUULBB-CQQBRXBZSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001208332091 1371721417 /nfs/dbraw/zinc/72/14/17/1371721417.db2.gz ZXKMPYNTXIGJSR-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001208359753 1371734943 /nfs/dbraw/zinc/73/49/43/1371734943.db2.gz ZYGYOKMUSVVCFS-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001208396093 1371752881 /nfs/dbraw/zinc/75/28/81/1371752881.db2.gz NOUFMVZOBZRUNT-ODWICZQRSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001208396093 1371752886 /nfs/dbraw/zinc/75/28/86/1371752886.db2.gz NOUFMVZOBZRUNT-ODWICZQRSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001208396093 1371752891 /nfs/dbraw/zinc/75/28/91/1371752891.db2.gz NOUFMVZOBZRUNT-ODWICZQRSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001208396092 1371753117 /nfs/dbraw/zinc/75/31/17/1371753117.db2.gz NOUFMVZOBZRUNT-IEVDXQOXSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001208396092 1371753118 /nfs/dbraw/zinc/75/31/18/1371753118.db2.gz NOUFMVZOBZRUNT-IEVDXQOXSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001208396092 1371753123 /nfs/dbraw/zinc/75/31/23/1371753123.db2.gz NOUFMVZOBZRUNT-IEVDXQOXSA-N 2 1 349.563 3.291 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC1CCCC1)C2 ZINC001120834552 1371778027 /nfs/dbraw/zinc/77/80/27/1371778027.db2.gz KSDQHTSKLUYIAM-MBEFBZSESA-N 2 1 347.547 3.068 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001208575167 1371823201 /nfs/dbraw/zinc/82/32/01/1371823201.db2.gz KXWAWYJMCYIBFQ-KZNAEPCWSA-N 2 1 325.541 3.124 20 0 EGADMP C[N@H+]1CC[C@]2(CCN(C[C@@H]3CCCC[NH+]3Cc3ccccc3)C2)C1 ZINC001208589948 1371829494 /nfs/dbraw/zinc/82/94/94/1371829494.db2.gz AVAYRMAGKKSHFC-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CC[C@]2(CCN(C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001208589948 1371829498 /nfs/dbraw/zinc/82/94/98/1371829498.db2.gz AVAYRMAGKKSHFC-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CC[C@]2(CCN(C[C@@H]3CCCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001208589948 1371829502 /nfs/dbraw/zinc/82/95/02/1371829502.db2.gz AVAYRMAGKKSHFC-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP CC[N@@H+](Cc1ccccc1)C1CCN(C[C@@H]2CCC[NH+](C)C2)CC1 ZINC001208608663 1371838075 /nfs/dbraw/zinc/83/80/75/1371838075.db2.gz RCRSHMKCPHAMRE-HXUWFJFHSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+](Cc1ccccc1)C1CCN(C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208608663 1371838080 /nfs/dbraw/zinc/83/80/80/1371838080.db2.gz RCRSHMKCPHAMRE-HXUWFJFHSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+](Cc1ccccc1)C1CCN(C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208608663 1371838083 /nfs/dbraw/zinc/83/80/83/1371838083.db2.gz RCRSHMKCPHAMRE-HXUWFJFHSA-N 2 1 329.532 3.315 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCc3ccc(OC(F)(F)F)cc3C2)C1 ZINC001208613864 1371839797 /nfs/dbraw/zinc/83/97/97/1371839797.db2.gz ADPHZQJXIYYWKL-CYBMUJFWSA-N 2 1 328.378 3.285 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCc3ccc(OC(F)(F)F)cc3C2)C1 ZINC001208613864 1371839800 /nfs/dbraw/zinc/83/98/00/1371839800.db2.gz ADPHZQJXIYYWKL-CYBMUJFWSA-N 2 1 328.378 3.285 20 0 EGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCc3ccc(OC(F)(F)F)cc3C2)C1 ZINC001208613864 1371839806 /nfs/dbraw/zinc/83/98/06/1371839806.db2.gz ADPHZQJXIYYWKL-CYBMUJFWSA-N 2 1 328.378 3.285 20 0 EGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCc3ccc(OC(F)(F)F)cc3C2)C1 ZINC001208613864 1371839817 /nfs/dbraw/zinc/83/98/17/1371839817.db2.gz ADPHZQJXIYYWKL-CYBMUJFWSA-N 2 1 328.378 3.285 20 0 EGADMP C[N@H+]1CCC[C@@H](CN2CCC[C@@]3(CC[NH+]3Cc3cccc(F)c3)C2)C1 ZINC001208609917 1371840639 /nfs/dbraw/zinc/84/06/39/1371840639.db2.gz XMGHONARGUQFOW-TZIWHRDSSA-N 2 1 345.506 3.208 20 0 EGADMP C[NH+]1CCC[C@@H](CN2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)C1 ZINC001208609917 1371840642 /nfs/dbraw/zinc/84/06/42/1371840642.db2.gz XMGHONARGUQFOW-TZIWHRDSSA-N 2 1 345.506 3.208 20 0 EGADMP C[NH+]1CCC[C@@H](CN2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)C1 ZINC001208609917 1371840644 /nfs/dbraw/zinc/84/06/44/1371840644.db2.gz XMGHONARGUQFOW-TZIWHRDSSA-N 2 1 345.506 3.208 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(CC2)OC(=O)c2cc(Cl)ccc23)C1 ZINC001208614969 1371841969 /nfs/dbraw/zinc/84/19/69/1371841969.db2.gz GAINEKKSHODOGU-CQSZACIVSA-N 2 1 348.874 3.143 20 0 EGADMP C[N@H+]1CCC[C@H](CN2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)C1 ZINC001208618087 1371842506 /nfs/dbraw/zinc/84/25/06/1371842506.db2.gz RQVOGDQXGXKEEP-GHTZIAJQSA-N 2 1 327.516 3.023 20 0 EGADMP C(C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1)C1CC1 ZINC001208681215 1371859111 /nfs/dbraw/zinc/85/91/11/1371859111.db2.gz QJEVYKSHLIKHKA-SFTDATJTSA-N 2 1 332.532 3.247 20 0 EGADMP C(C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1)C1CC1 ZINC001208681215 1371859114 /nfs/dbraw/zinc/85/91/14/1371859114.db2.gz QJEVYKSHLIKHKA-SFTDATJTSA-N 2 1 332.532 3.247 20 0 EGADMP C(C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1)C1CC1 ZINC001208681215 1371859117 /nfs/dbraw/zinc/85/91/17/1371859117.db2.gz QJEVYKSHLIKHKA-SFTDATJTSA-N 2 1 332.532 3.247 20 0 EGADMP CCOC(=O)C1CC[NH+](C2CC[NH+](CCC3CCCC3)CC2)CC1 ZINC001208692684 1371863527 /nfs/dbraw/zinc/86/35/27/1371863527.db2.gz AOZVYWWVSPSEED-UHFFFAOYSA-N 2 1 336.520 3.306 20 0 EGADMP CC(C)CCC[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001208735331 1371878406 /nfs/dbraw/zinc/87/84/06/1371878406.db2.gz LHWGQEPSXUQRDS-UHFFFAOYSA-N 2 1 345.531 3.432 20 0 EGADMP CC(C)=CC[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208758916 1371885489 /nfs/dbraw/zinc/88/54/89/1371885489.db2.gz OATVPJJSEZLLQA-SFHVURJKSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001121232880 1371902101 /nfs/dbraw/zinc/90/21/01/1371902101.db2.gz JRLMHJVTDBOYQE-PMRGXDQWSA-N 2 1 349.563 3.027 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C4CCCC4)CC3)C2)cc1 ZINC001208935020 1371951422 /nfs/dbraw/zinc/95/14/22/1371951422.db2.gz HOLRPKXBLMMGDQ-OAQYLSRUSA-N 2 1 341.543 3.459 20 0 EGADMP C[C@@]1(CO)CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208933020 1371952633 /nfs/dbraw/zinc/95/26/33/1371952633.db2.gz SRXUHLXMOVCKGO-NHCUHLMSSA-N 2 1 330.516 3.383 20 0 EGADMP C[C@@]1(CO)CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208933020 1371952640 /nfs/dbraw/zinc/95/26/40/1371952640.db2.gz SRXUHLXMOVCKGO-NHCUHLMSSA-N 2 1 330.516 3.383 20 0 EGADMP C[C@@]1(CO)CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208933020 1371952644 /nfs/dbraw/zinc/95/26/44/1371952644.db2.gz SRXUHLXMOVCKGO-NHCUHLMSSA-N 2 1 330.516 3.383 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H]1C ZINC001208938701 1371953631 /nfs/dbraw/zinc/95/36/31/1371953631.db2.gz DGMXTHMQOJAVSI-YSIASYRMSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H]1C ZINC001208938701 1371953634 /nfs/dbraw/zinc/95/36/34/1371953634.db2.gz DGMXTHMQOJAVSI-YSIASYRMSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC001208938701 1371953637 /nfs/dbraw/zinc/95/36/37/1371953637.db2.gz DGMXTHMQOJAVSI-YSIASYRMSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC001208938701 1371953640 /nfs/dbraw/zinc/95/36/40/1371953640.db2.gz DGMXTHMQOJAVSI-YSIASYRMSA-N 2 1 344.499 3.172 20 0 EGADMP Cc1nc([C@@H]2CCC[N@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)no1 ZINC001208940413 1371954314 /nfs/dbraw/zinc/95/43/14/1371954314.db2.gz CUSNONQAPYHTAP-RTBURBONSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nc([C@@H]2CCC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)no1 ZINC001208940413 1371954317 /nfs/dbraw/zinc/95/43/17/1371954317.db2.gz CUSNONQAPYHTAP-RTBURBONSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nc([C@@H]2CCC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)no1 ZINC001208940413 1371954321 /nfs/dbraw/zinc/95/43/21/1371954321.db2.gz CUSNONQAPYHTAP-RTBURBONSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nc([C@@H]2CCC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)no1 ZINC001208940413 1371954325 /nfs/dbraw/zinc/95/43/25/1371954325.db2.gz CUSNONQAPYHTAP-RTBURBONSA-N 2 1 340.471 3.080 20 0 EGADMP CCOC(=O)[C@@H]1CCCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208953650 1371960451 /nfs/dbraw/zinc/96/04/51/1371960451.db2.gz RFHFQGJBPTUCOB-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)[C@@H]1CCCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208953650 1371960460 /nfs/dbraw/zinc/96/04/60/1371960460.db2.gz RFHFQGJBPTUCOB-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)[C@@H]1CCCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208953650 1371960473 /nfs/dbraw/zinc/96/04/73/1371960473.db2.gz RFHFQGJBPTUCOB-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP FC1(F)CO[C@@]2(CC[N@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208952759 1371960836 /nfs/dbraw/zinc/96/08/36/1371960836.db2.gz KZYOHBBJNABAGM-MSOLQXFVSA-N 2 1 336.426 3.009 20 0 EGADMP FC1(F)CO[C@@]2(CC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208952759 1371960841 /nfs/dbraw/zinc/96/08/41/1371960841.db2.gz KZYOHBBJNABAGM-MSOLQXFVSA-N 2 1 336.426 3.009 20 0 EGADMP FC1(F)CO[C@@]2(CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208952759 1371960846 /nfs/dbraw/zinc/96/08/46/1371960846.db2.gz KZYOHBBJNABAGM-MSOLQXFVSA-N 2 1 336.426 3.009 20 0 EGADMP FC1(F)CO[C@@]2(CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208952759 1371960849 /nfs/dbraw/zinc/96/08/49/1371960849.db2.gz KZYOHBBJNABAGM-MSOLQXFVSA-N 2 1 336.426 3.009 20 0 EGADMP C[N@H+]1CCN(C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC001208949635 1371961134 /nfs/dbraw/zinc/96/11/34/1371961134.db2.gz MNFCFMYZJAKXSL-GGAORHGYSA-N 2 1 349.522 3.497 20 0 EGADMP C[NH+]1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC001208949635 1371961139 /nfs/dbraw/zinc/96/11/39/1371961139.db2.gz MNFCFMYZJAKXSL-GGAORHGYSA-N 2 1 349.522 3.497 20 0 EGADMP C[NH+]1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC001208949635 1371961152 /nfs/dbraw/zinc/96/11/52/1371961152.db2.gz MNFCFMYZJAKXSL-GGAORHGYSA-N 2 1 349.522 3.497 20 0 EGADMP CCCCOC(=O)[C@@H]1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208962971 1371964382 /nfs/dbraw/zinc/96/43/82/1371964382.db2.gz NBMLNSJYBBZATL-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP CCCCOC(=O)[C@@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208962971 1371964385 /nfs/dbraw/zinc/96/43/85/1371964385.db2.gz NBMLNSJYBBZATL-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP CCCCOC(=O)[C@@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208962971 1371964388 /nfs/dbraw/zinc/96/43/88/1371964388.db2.gz NBMLNSJYBBZATL-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP COCOCCC[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001209026854 1371976989 /nfs/dbraw/zinc/97/69/89/1371976989.db2.gz WBDQQSAPPMLBJV-UHFFFAOYSA-N 2 1 338.517 3.047 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142208 1372011486 /nfs/dbraw/zinc/01/14/86/1372011486.db2.gz IXKWNUAFDZBTGB-IWOQZAADSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209142208 1372011490 /nfs/dbraw/zinc/01/14/90/1372011490.db2.gz IXKWNUAFDZBTGB-IWOQZAADSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209142208 1372011494 /nfs/dbraw/zinc/01/14/94/1372011494.db2.gz IXKWNUAFDZBTGB-IWOQZAADSA-N 2 1 335.536 3.042 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001121616238 1372026358 /nfs/dbraw/zinc/02/63/58/1372026358.db2.gz DXQSKSXJDRXMHV-GGQJKKPXSA-N 2 1 349.563 3.316 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001121772448 1372076357 /nfs/dbraw/zinc/07/63/57/1372076357.db2.gz AKILOONORUQCJJ-XKZCYDSASA-N 2 1 347.547 3.092 20 0 EGADMP CC(C)(C)OC(=O)NCCCCCCN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001209357391 1372077261 /nfs/dbraw/zinc/07/72/61/1372077261.db2.gz NYPOAKRHWDMMDY-QGZVFWFLSA-N 2 1 339.524 3.242 20 0 EGADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](C[C@@H]4C[C@@H]4C)CC3)C2)c1 ZINC001209415457 1372099307 /nfs/dbraw/zinc/09/93/07/1372099307.db2.gz ORCNRYLIVQJFHH-HKUYNNGSSA-N 2 1 344.499 3.018 20 0 EGADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](C[C@@H]4C[C@@H]4C)CC3)C2)c1 ZINC001209415457 1372099310 /nfs/dbraw/zinc/09/93/10/1372099310.db2.gz ORCNRYLIVQJFHH-HKUYNNGSSA-N 2 1 344.499 3.018 20 0 EGADMP C[C@@H]1C[C@H]1C[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001209414561 1372099568 /nfs/dbraw/zinc/09/95/68/1372099568.db2.gz NPLMADNHIBFXEK-RYRKJORJSA-N 2 1 335.442 3.271 20 0 EGADMP C[C@@H]1C[C@H]1C[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001209414561 1372099570 /nfs/dbraw/zinc/09/95/70/1372099570.db2.gz NPLMADNHIBFXEK-RYRKJORJSA-N 2 1 335.442 3.271 20 0 EGADMP C[C@@H]1C[C@H]1C[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001209414561 1372099574 /nfs/dbraw/zinc/09/95/74/1372099574.db2.gz NPLMADNHIBFXEK-RYRKJORJSA-N 2 1 335.442 3.271 20 0 EGADMP C[C@@H]1C[C@H]1C[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001209414561 1372099578 /nfs/dbraw/zinc/09/95/78/1372099578.db2.gz NPLMADNHIBFXEK-RYRKJORJSA-N 2 1 335.442 3.271 20 0 EGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](C[C@@H]1C[C@@H]1C)CC2 ZINC001209414868 1372099670 /nfs/dbraw/zinc/09/96/70/1372099670.db2.gz MYHOHVPVMNZFDC-BJLQDIEVSA-N 2 1 343.515 3.041 20 0 EGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001209417695 1372100318 /nfs/dbraw/zinc/10/03/18/1372100318.db2.gz XDHJOOORQGRECS-MISYRCLQSA-N 2 1 328.500 3.398 20 0 EGADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)CCC[NH+]1CCCCC1)C2 ZINC001209452070 1372109561 /nfs/dbraw/zinc/10/95/61/1372109561.db2.gz BAQGRBAXBLRBEI-QGZVFWFLSA-N 2 1 332.488 3.151 20 0 EGADMP CC(=O)OC[C@H]1CCC2(C1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209452227 1372110769 /nfs/dbraw/zinc/11/07/69/1372110769.db2.gz ILAOLDPSVXNZIM-IBGZPJMESA-N 2 1 336.520 3.308 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209489061 1372118883 /nfs/dbraw/zinc/11/88/83/1372118883.db2.gz WARUFIXKWLOZOL-WAQVGJNASA-N 2 1 346.519 3.155 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209489061 1372118898 /nfs/dbraw/zinc/11/88/98/1372118898.db2.gz WARUFIXKWLOZOL-WAQVGJNASA-N 2 1 346.519 3.155 20 0 EGADMP c1cc2ccc(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)cc2[nH]1 ZINC001209511752 1372124997 /nfs/dbraw/zinc/12/49/97/1372124997.db2.gz XASDAPPTNONGCD-UHFFFAOYSA-N 2 1 349.482 3.019 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c(C)[nH]c3ncccc23)CC1 ZINC001209587092 1372144858 /nfs/dbraw/zinc/14/48/58/1372144858.db2.gz CJMYAXXQVGRIIS-UHFFFAOYSA-N 2 1 335.455 3.314 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)CC)C2)C1 ZINC001122022817 1372155506 /nfs/dbraw/zinc/15/55/06/1372155506.db2.gz JXZCNPQGBHNKKX-FPLPWBNLSA-N 2 1 335.536 3.092 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001209691813 1372171387 /nfs/dbraw/zinc/17/13/87/1372171387.db2.gz YVGQVORHRPNIPK-CNZFZVQHSA-N 2 1 337.552 3.291 20 0 EGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)Cc1cccc(Br)c1 ZINC001209846176 1372211745 /nfs/dbraw/zinc/21/17/45/1372211745.db2.gz QWMNYMQHPGCYPG-FZMZJTMJSA-N 2 1 347.247 3.372 20 0 EGADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)Cc1cccc(Br)c1 ZINC001209846176 1372211747 /nfs/dbraw/zinc/21/17/47/1372211747.db2.gz QWMNYMQHPGCYPG-FZMZJTMJSA-N 2 1 347.247 3.372 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209952348 1372239947 /nfs/dbraw/zinc/23/99/47/1372239947.db2.gz PRJNBVMBGNICHZ-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP Fc1ccc(C(F)(F)F)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210263511 1372308544 /nfs/dbraw/zinc/30/85/44/1372308544.db2.gz BQOMMWJXKFWNJZ-UHFFFAOYSA-N 2 1 340.324 3.393 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210427595 1372350422 /nfs/dbraw/zinc/35/04/22/1372350422.db2.gz XOZMWWYYZZWNGI-WSTZPKSXSA-N 2 1 345.531 3.224 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC=C(C)C)C1)c1ccccc1 ZINC001210644356 1372398826 /nfs/dbraw/zinc/39/88/26/1372398826.db2.gz OJDQMUNVUQOKAL-UXHICEINSA-N 2 1 343.515 3.226 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCC2CC2)C1)c1ccccc1 ZINC001210645398 1372398902 /nfs/dbraw/zinc/39/89/02/1372398902.db2.gz QZJHXWSMZUMNPO-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001210788642 1372426874 /nfs/dbraw/zinc/42/68/74/1372426874.db2.gz HCLUFIHJUKWVHO-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001210812430 1372431265 /nfs/dbraw/zinc/43/12/65/1372431265.db2.gz ZYUQCIMQNMSYNP-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCC(C)CC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211310572 1372526170 /nfs/dbraw/zinc/52/61/70/1372526170.db2.gz SRYAVMBHCPCOHO-CQJJOKNBSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211374582 1372542902 /nfs/dbraw/zinc/54/29/02/1372542902.db2.gz JORVPMWBPVQGPR-DSTKZSRVSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)(C)CCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356581 1373118926 /nfs/dbraw/zinc/11/89/26/1373118926.db2.gz IAPWCSBWGCTOFX-QGZVFWFLSA-N 2 1 337.552 3.173 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001214845339 1373128364 /nfs/dbraw/zinc/12/83/64/1373128364.db2.gz OOQHKOVOLLYAFZ-PDTMIUJASA-N 2 1 349.563 3.147 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001127675975 1373158085 /nfs/dbraw/zinc/15/80/85/1373158085.db2.gz XHNYYAXINBIWMC-INIZCTEOSA-N 2 1 348.535 3.319 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001127675976 1373158094 /nfs/dbraw/zinc/15/80/94/1373158094.db2.gz XHNYYAXINBIWMC-MRXNPFEDSA-N 2 1 348.535 3.319 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001215778554 1373236968 /nfs/dbraw/zinc/23/69/68/1373236968.db2.gz RMMQJOBQNCLBEH-BHIYHBOVSA-N 2 1 337.552 3.122 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC001216510876 1373313367 /nfs/dbraw/zinc/31/33/67/1373313367.db2.gz BUCZBGNZVOXUHM-AYOQOUSVSA-N 2 1 349.494 3.055 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](OCC[C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC001217931242 1373513977 /nfs/dbraw/zinc/51/39/77/1373513977.db2.gz STKKEPOUABILRN-VMXMFDLUSA-N 2 1 328.500 3.303 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)c1ccccc1 ZINC001130622435 1373571601 /nfs/dbraw/zinc/57/16/01/1373571601.db2.gz IPAOGKOGQIGUHT-MRXNPFEDSA-N 2 1 331.504 3.106 20 0 EGADMP CC[C@@H](c1cccc(O[C@@H]2CC[NH2+]CC(=O)C2)c1)[C@@H](C)C[NH+](C)C ZINC001218191770 1373575867 /nfs/dbraw/zinc/57/58/67/1373575867.db2.gz MAVDTTZKGAIOLA-CWFSZBLJSA-N 2 1 332.488 3.078 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001130708787 1373583055 /nfs/dbraw/zinc/58/30/55/1373583055.db2.gz HVOKAXNFPIQPEF-UYAOXDASSA-N 2 1 345.531 3.191 20 0 EGADMP c1ccc(C[N@@H+]2CCc3nc(O[C@@H]4CC[C@H]5C[NH2+]C[C@@H]54)ccc3C2)cc1 ZINC001218475040 1373621114 /nfs/dbraw/zinc/62/11/14/1373621114.db2.gz XTQZEXAGJUMVHN-HFSMHLIXSA-N 2 1 349.478 3.017 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(O[C@@H]4CC[C@H]5C[NH2+]C[C@@H]54)ccc3C2)cc1 ZINC001218475040 1373621117 /nfs/dbraw/zinc/62/11/17/1373621117.db2.gz XTQZEXAGJUMVHN-HFSMHLIXSA-N 2 1 349.478 3.017 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC001219024419 1373680248 /nfs/dbraw/zinc/68/02/48/1373680248.db2.gz YDUXKXYGSTWJSY-FQEVSTJZSA-N 2 1 329.488 3.389 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848189 1373798042 /nfs/dbraw/zinc/79/80/42/1373798042.db2.gz DBTRSLZIMCIAEJ-UEIMZRGPSA-N 2 1 347.547 3.138 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221848189 1373798045 /nfs/dbraw/zinc/79/80/45/1373798045.db2.gz DBTRSLZIMCIAEJ-UEIMZRGPSA-N 2 1 347.547 3.138 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221848189 1373798052 /nfs/dbraw/zinc/79/80/52/1373798052.db2.gz DBTRSLZIMCIAEJ-UEIMZRGPSA-N 2 1 347.547 3.138 20 0 EGADMP CCCCCCc1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)s1 ZINC001222514970 1373850971 /nfs/dbraw/zinc/85/09/71/1373850971.db2.gz GHQNGTYHMCNINF-OALUTQOASA-N 2 1 335.561 3.397 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC[NH+](CC2CCC2)CC1 ZINC001224883496 1375082641 /nfs/dbraw/zinc/08/26/41/1375082641.db2.gz CBBYRUILNCATQJ-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001225228654 1375098729 /nfs/dbraw/zinc/09/87/29/1375098729.db2.gz SPRNEVCBQGLRMY-SFHVURJKSA-N 2 1 345.531 3.226 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CC1CC2(CCC2)C1 ZINC001132105763 1375150184 /nfs/dbraw/zinc/15/01/84/1375150184.db2.gz MMFBQKVCSHOIPL-AEFFLSMTSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CC1CC2(CCC2)C1 ZINC001132105763 1375150190 /nfs/dbraw/zinc/15/01/90/1375150190.db2.gz MMFBQKVCSHOIPL-AEFFLSMTSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CC1CC2(CCC2)C1 ZINC001132105763 1375150198 /nfs/dbraw/zinc/15/01/98/1375150198.db2.gz MMFBQKVCSHOIPL-AEFFLSMTSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C[N@H+]1CCCCCF ZINC001132132429 1375162519 /nfs/dbraw/zinc/16/25/19/1375162519.db2.gz QVEKBSQGOHQYOU-HOCLYGCPSA-N 2 1 346.450 3.285 20 0 EGADMP CC(C)C[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132140260 1375167489 /nfs/dbraw/zinc/16/74/89/1375167489.db2.gz HADWTBAKCDIBOE-DLBZAZTESA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)C[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132140260 1375167490 /nfs/dbraw/zinc/16/74/90/1375167490.db2.gz HADWTBAKCDIBOE-DLBZAZTESA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)C[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132140260 1375167491 /nfs/dbraw/zinc/16/74/91/1375167491.db2.gz HADWTBAKCDIBOE-DLBZAZTESA-N 2 1 337.552 3.265 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](CCC(C)(C)C)C1 ZINC001132154168 1375174135 /nfs/dbraw/zinc/17/41/35/1375174135.db2.gz XMXXRXQKLNHESL-JKSUJKDBSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001132154168 1375174137 /nfs/dbraw/zinc/17/41/37/1375174137.db2.gz XMXXRXQKLNHESL-JKSUJKDBSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC(C)(C)C)C1 ZINC001132154168 1375174139 /nfs/dbraw/zinc/17/41/39/1375174139.db2.gz XMXXRXQKLNHESL-JKSUJKDBSA-N 2 1 325.541 3.122 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](CCCC2CCC2)C1 ZINC001132153835 1375174464 /nfs/dbraw/zinc/17/44/64/1375174464.db2.gz UFMWOGJJMJBENV-WMZOPIPTSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CCCC2CCC2)C1 ZINC001132153835 1375174467 /nfs/dbraw/zinc/17/44/67/1375174467.db2.gz UFMWOGJJMJBENV-WMZOPIPTSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC2CCC2)C1 ZINC001132153835 1375174469 /nfs/dbraw/zinc/17/44/69/1375174469.db2.gz UFMWOGJJMJBENV-WMZOPIPTSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132204426 1375207671 /nfs/dbraw/zinc/20/76/71/1375207671.db2.gz WFOXPXOZWOJDGG-OALUTQOASA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001132214328 1375213642 /nfs/dbraw/zinc/21/36/42/1375213642.db2.gz FTMDPIOBABKKEB-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC=C(C)C ZINC001226324161 1375239911 /nfs/dbraw/zinc/23/99/11/1375239911.db2.gz YUSZULFTHZZYHO-KZNAEPCWSA-N 2 1 346.519 3.380 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001132265373 1375254267 /nfs/dbraw/zinc/25/42/67/1375254267.db2.gz LTARVLXAPCAYFP-PRVDXRAFSA-N 2 1 347.503 3.280 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001132265373 1375254268 /nfs/dbraw/zinc/25/42/68/1375254268.db2.gz LTARVLXAPCAYFP-PRVDXRAFSA-N 2 1 347.503 3.280 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132265214 1375254936 /nfs/dbraw/zinc/25/49/36/1375254936.db2.gz JQCHMUXUMYVEAM-KBSZCIAZSA-N 2 1 335.536 3.044 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132311474 1375290804 /nfs/dbraw/zinc/29/08/04/1375290804.db2.gz URFDLTMGOHZICM-FUHWJXTLSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132311474 1375290808 /nfs/dbraw/zinc/29/08/08/1375290808.db2.gz URFDLTMGOHZICM-FUHWJXTLSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132311474 1375290813 /nfs/dbraw/zinc/29/08/13/1375290813.db2.gz URFDLTMGOHZICM-FUHWJXTLSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132332004 1375311410 /nfs/dbraw/zinc/31/14/10/1375311410.db2.gz QWALPIPZGASLIR-MSOLQXFVSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132332004 1375311417 /nfs/dbraw/zinc/31/14/17/1375311417.db2.gz QWALPIPZGASLIR-MSOLQXFVSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001226765488 1375329045 /nfs/dbraw/zinc/32/90/45/1375329045.db2.gz DDSSRHSCICCRHR-IPMKNSEASA-N 2 1 337.552 3.312 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(C)cc2C)C1 ZINC001132409759 1375357982 /nfs/dbraw/zinc/35/79/82/1375357982.db2.gz DTUXOFAZFQVAHN-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C)cc2C)C1 ZINC001132409759 1375357987 /nfs/dbraw/zinc/35/79/87/1375357987.db2.gz DTUXOFAZFQVAHN-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001132409759 1375357992 /nfs/dbraw/zinc/35/79/92/1375357992.db2.gz DTUXOFAZFQVAHN-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CCC(C)(C)C)C1 ZINC001132435086 1375379668 /nfs/dbraw/zinc/37/96/68/1375379668.db2.gz AXGUCSWTYIVSKI-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001132435086 1375379672 /nfs/dbraw/zinc/37/96/72/1375379672.db2.gz AXGUCSWTYIVSKI-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC(C)(C)C)C1 ZINC001132435086 1375379675 /nfs/dbraw/zinc/37/96/75/1375379675.db2.gz AXGUCSWTYIVSKI-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1CC[NH+](C[C@H](C)CC)CC1 ZINC001227464416 1375433038 /nfs/dbraw/zinc/43/30/38/1375433038.db2.gz IMERBAUQPBFKSP-CVEARBPZSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132518868 1375437147 /nfs/dbraw/zinc/43/71/47/1375437147.db2.gz PMPMDNOQRWHHMY-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132542308 1375450727 /nfs/dbraw/zinc/45/07/27/1375450727.db2.gz OWEXBCORBDGMFC-UYAOXDASSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[N@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132542308 1375450731 /nfs/dbraw/zinc/45/07/31/1375450731.db2.gz OWEXBCORBDGMFC-UYAOXDASSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[NH+]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132542308 1375450733 /nfs/dbraw/zinc/45/07/33/1375450733.db2.gz OWEXBCORBDGMFC-UYAOXDASSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132542308 1375450737 /nfs/dbraw/zinc/45/07/37/1375450737.db2.gz OWEXBCORBDGMFC-UYAOXDASSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[N@H+]1CCC1CC1 ZINC001132549552 1375455846 /nfs/dbraw/zinc/45/58/46/1375455846.db2.gz UVBQXOGODWJPOF-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001227791361 1375474498 /nfs/dbraw/zinc/47/44/98/1375474498.db2.gz CQOYXVKXKVCKDY-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001228039447 1375508787 /nfs/dbraw/zinc/50/87/87/1375508787.db2.gz GYUGXXZPEHGMEU-IBGZPJMESA-N 2 1 345.531 3.449 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001228138110 1375520355 /nfs/dbraw/zinc/52/03/55/1375520355.db2.gz OKWXFSCGGRHXCX-CSSZIBPHSA-N 2 1 349.563 3.482 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCC(C)C)C1 ZINC001132938670 1375659550 /nfs/dbraw/zinc/65/95/50/1375659550.db2.gz XXLYDPCQQMQPTG-ROUUACIJSA-N 2 1 339.568 3.227 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132976424 1375691142 /nfs/dbraw/zinc/69/11/42/1375691142.db2.gz DSNZROMSBJFPFI-LJJUJYJISA-N 2 1 346.519 3.012 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCC)C1 ZINC001133185586 1375829631 /nfs/dbraw/zinc/82/96/31/1375829631.db2.gz FYETWNHDKRLPPO-RTBURBONSA-N 2 1 339.568 3.373 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1 ZINC001229523143 1375850789 /nfs/dbraw/zinc/85/07/89/1375850789.db2.gz CBMQNWWLXCMJFO-QXAKKESOSA-N 2 1 331.504 3.106 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001133263251 1375879457 /nfs/dbraw/zinc/87/94/57/1375879457.db2.gz RLLOPEZDTQUICP-YZBXUTEPSA-N 2 1 337.552 3.149 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cc1C ZINC001229869044 1375909167 /nfs/dbraw/zinc/90/91/67/1375909167.db2.gz VUYYRHLYPWIIQS-WOJBJXKFSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1F ZINC001230274802 1375980076 /nfs/dbraw/zinc/98/00/76/1375980076.db2.gz MKPBJAAYXDMAJJ-ATZDWAIDSA-N 2 1 349.494 3.244 20 0 EGADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl)c1ccccc1 ZINC001230286107 1375984685 /nfs/dbraw/zinc/98/46/85/1375984685.db2.gz AQHDCVDXNRVNPT-WQOWFURQSA-N 2 1 349.906 3.059 20 0 EGADMP CCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001230284505 1375984803 /nfs/dbraw/zinc/98/48/03/1375984803.db2.gz IMBOCBSTZKMCJV-WOJBJXKFSA-N 2 1 345.531 3.106 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(CC[NH2+]CC)Cc1cccc(Cl)c1 ZINC001133410521 1375993940 /nfs/dbraw/zinc/99/39/40/1375993940.db2.gz KYNRLCXFHZFVRJ-UHFFFAOYSA-N 2 1 339.911 3.010 20 0 EGADMP O=c1oc2ccccc2n1C1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232014100 1376381199 /nfs/dbraw/zinc/38/11/99/1376381199.db2.gz KAZUFWLESVUSGC-UHFFFAOYSA-N 2 1 348.406 3.308 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CCC[C@]1(O)C(F)(F)F ZINC001232012270 1376382850 /nfs/dbraw/zinc/38/28/50/1376382850.db2.gz XXUCKOKAKDZHQE-IAQYHMDHSA-N 2 1 327.350 3.088 20 0 EGADMP CCCc1noc([C@@H]2CCC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)n1 ZINC001232016369 1376386991 /nfs/dbraw/zinc/38/69/91/1376386991.db2.gz WHOCECAEPVEHRF-CYBMUJFWSA-N 2 1 325.416 3.278 20 0 EGADMP COc1ccc2c(c1)CC[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C2 ZINC001232145046 1376409308 /nfs/dbraw/zinc/40/93/08/1376409308.db2.gz SQCKFNFJLBJIRH-UHFFFAOYSA-N 2 1 328.431 3.454 20 0 EGADMP COc1ccc2c(c1)CC[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C2 ZINC001232145046 1376409312 /nfs/dbraw/zinc/40/93/12/1376409312.db2.gz SQCKFNFJLBJIRH-UHFFFAOYSA-N 2 1 328.431 3.454 20 0 EGADMP CCOC(=O)C[C@H]1CCC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232144309 1376409422 /nfs/dbraw/zinc/40/94/22/1376409422.db2.gz HPYDFUQTWXPTNO-OAHLLOKOSA-N 2 1 336.451 3.053 20 0 EGADMP COc1cc(O)cc(C[N@H+](C)C2CCN(Cc3ccccc3)CC2)c1 ZINC001232805875 1376517993 /nfs/dbraw/zinc/51/79/93/1376517993.db2.gz SWNOZGWKHZNWQM-UHFFFAOYSA-N 2 1 340.467 3.497 20 0 EGADMP COc1cc(O)cc(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)c1 ZINC001232805875 1376517995 /nfs/dbraw/zinc/51/79/95/1376517995.db2.gz SWNOZGWKHZNWQM-UHFFFAOYSA-N 2 1 340.467 3.497 20 0 EGADMP Cc1c[nH]c(=O)c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001233193978 1376583946 /nfs/dbraw/zinc/58/39/46/1376583946.db2.gz LILMDNMENXXFKI-AZUAARDMSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1c[nH]c(=O)c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001233193978 1376583948 /nfs/dbraw/zinc/58/39/48/1376583948.db2.gz LILMDNMENXXFKI-AZUAARDMSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001134762790 1376707826 /nfs/dbraw/zinc/70/78/26/1376707826.db2.gz GTLBCYDATKYUNL-IEBWSBKVSA-N 2 1 331.504 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001134774291 1376713482 /nfs/dbraw/zinc/71/34/82/1376713482.db2.gz XFOPCVXUXXKFFV-DLBZAZTESA-N 2 1 333.520 3.098 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CCC1CC1)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134791016 1376724306 /nfs/dbraw/zinc/72/43/06/1376724306.db2.gz MOEWGEKXLPHXDA-HZPDHXFCSA-N 2 1 337.552 3.312 20 0 EGADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](CCc1ccccc1)CC2 ZINC001235022126 1376829112 /nfs/dbraw/zinc/82/91/12/1376829112.db2.gz YFZCOGYKFQQTHN-UHFFFAOYSA-N 2 1 336.479 3.375 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC001135029682 1376857074 /nfs/dbraw/zinc/85/70/74/1376857074.db2.gz QNOBVBQJBONWLN-SJORKVTESA-N 2 1 348.535 3.425 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135032927 1376859480 /nfs/dbraw/zinc/85/94/80/1376859480.db2.gz HXXATWLUGCVZDZ-HZPDHXFCSA-N 2 1 346.519 3.035 20 0 EGADMP COc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(F)cc1Cl ZINC001235883787 1376909534 /nfs/dbraw/zinc/90/95/34/1376909534.db2.gz OTIAOYAZKKSKPU-MRXNPFEDSA-N 2 1 326.843 3.452 20 0 EGADMP [NH3+]C1CN([C@H]2CCC[N@@H+](Cc3ccc(-c4cccc(Cl)c4)o3)C2)C1 ZINC001236074260 1376931013 /nfs/dbraw/zinc/93/10/13/1376931013.db2.gz WBNMELXVDWMTHA-KRWDZBQOSA-N 2 1 345.874 3.207 20 0 EGADMP COc1c(C)cc(Br)cc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236228794 1376943239 /nfs/dbraw/zinc/94/32/39/1376943239.db2.gz ZCPILMQNRIAUTE-UHFFFAOYSA-N 2 1 341.293 3.340 20 0 EGADMP Cc1ccc(C[N@@H+](C)Cc2cccc(CN3CC[NH2+]CC3)c2)cc1C ZINC001236240963 1376944227 /nfs/dbraw/zinc/94/42/27/1376944227.db2.gz OTDXLCCJCLGANN-UHFFFAOYSA-N 2 1 337.511 3.341 20 0 EGADMP COc1c(C)c[nH+]c(CN(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c1C ZINC001236270583 1376947989 /nfs/dbraw/zinc/94/79/89/1376947989.db2.gz OHMQJQVXDXPQGM-LJQANCHMSA-N 2 1 339.483 3.461 20 0 EGADMP CNc1ccc(C[N@@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)cc1 ZINC001236448572 1376953540 /nfs/dbraw/zinc/95/35/40/1376953540.db2.gz USLQWJQDUXUBCC-UHFFFAOYSA-N 2 1 339.483 3.491 20 0 EGADMP COc1ccccc1C[N@@H+](CCCCCC[NH3+])[C@H]1CC[C@H]([NH3+])CC1 ZINC001236700047 1376962040 /nfs/dbraw/zinc/96/20/40/1376962040.db2.gz GUOOCYNLUXAJDN-WGSAOQKQSA-N 3 1 333.520 3.286 20 0 EGADMP CCC[N@H+](Cc1ccc(OCc2ccccc2)nc1)C[C@H]1CC[NH2+]C1 ZINC001236842960 1376966401 /nfs/dbraw/zinc/96/64/01/1376966401.db2.gz IKOIGFVXJSISHV-FQEVSTJZSA-N 2 1 339.483 3.482 20 0 EGADMP COc1ccc(C)c(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001237709100 1376984507 /nfs/dbraw/zinc/98/45/07/1376984507.db2.gz WTCBVAHOVCHGLV-OAQYLSRUSA-N 2 1 346.515 3.326 20 0 EGADMP COc1ccc(C)c(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001237709100 1376984510 /nfs/dbraw/zinc/98/45/10/1376984510.db2.gz WTCBVAHOVCHGLV-OAQYLSRUSA-N 2 1 346.515 3.326 20 0 EGADMP COc1ccc(C)c(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001237709100 1376984514 /nfs/dbraw/zinc/98/45/14/1376984514.db2.gz WTCBVAHOVCHGLV-OAQYLSRUSA-N 2 1 346.515 3.326 20 0 EGADMP COc1ccc(C)c(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001237709100 1376984517 /nfs/dbraw/zinc/98/45/17/1376984517.db2.gz WTCBVAHOVCHGLV-OAQYLSRUSA-N 2 1 346.515 3.326 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001246545211 1377052213 /nfs/dbraw/zinc/05/22/13/1377052213.db2.gz UWCAICCCSASITM-YOEHRIQHSA-N 2 1 343.298 3.026 20 0 EGADMP CC(C)[C@H]1C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)CC[NH2+]1 ZINC001246724920 1377053268 /nfs/dbraw/zinc/05/32/68/1377053268.db2.gz ZWGLDFMVYMYZAW-JYRKZWEQSA-N 2 1 343.515 3.339 20 0 EGADMP c1csc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001246748063 1377054208 /nfs/dbraw/zinc/05/42/08/1377054208.db2.gz SDJPGRWDPYAYKM-OKZBNKHCSA-N 2 1 345.556 3.319 20 0 EGADMP c1csc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001246749360 1377054224 /nfs/dbraw/zinc/05/42/24/1377054224.db2.gz WCIUDBJSACUOPH-GNBUJSLZSA-N 2 1 345.556 3.319 20 0 EGADMP Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246821266 1377055001 /nfs/dbraw/zinc/05/50/01/1377055001.db2.gz IWOSOXJQWWYXDF-PTKMUVKOSA-N 2 1 343.519 3.161 20 0 EGADMP C[N@H+]1CCC[C@H]([NH+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511169 1377105507 /nfs/dbraw/zinc/10/55/07/1377105507.db2.gz WUSKPVCQIHFUMM-UFYCRDLUSA-N 3 1 333.495 3.382 20 0 EGADMP C[NH+]1CCC[C@H]([N@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511169 1377105508 /nfs/dbraw/zinc/10/55/08/1377105508.db2.gz WUSKPVCQIHFUMM-UFYCRDLUSA-N 3 1 333.495 3.382 20 0 EGADMP C[NH+]1CCC[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511169 1377105512 /nfs/dbraw/zinc/10/55/12/1377105512.db2.gz WUSKPVCQIHFUMM-UFYCRDLUSA-N 3 1 333.495 3.382 20 0 EGADMP CN1CCC[C@H]([N@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511169 1377105514 /nfs/dbraw/zinc/10/55/14/1377105514.db2.gz WUSKPVCQIHFUMM-UFYCRDLUSA-N 2 1 333.495 3.382 20 0 EGADMP CN1CCC[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511169 1377105517 /nfs/dbraw/zinc/10/55/17/1377105517.db2.gz WUSKPVCQIHFUMM-UFYCRDLUSA-N 2 1 333.495 3.382 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC001254509562 1377105691 /nfs/dbraw/zinc/10/56/91/1377105691.db2.gz HOLKYSHESQCQGQ-GOSISDBHSA-N 2 1 336.907 3.462 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(Cc3cc(F)ccc3F)CC2)CC1 ZINC001254510191 1377105709 /nfs/dbraw/zinc/10/57/09/1377105709.db2.gz SQTNEXNABGHLAB-QGZVFWFLSA-N 2 1 337.458 3.003 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CC1CCCCC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135476193 1377110910 /nfs/dbraw/zinc/11/09/10/1377110910.db2.gz JFMIYGWXCAPALF-IAGOWNOFSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135476662 1377110965 /nfs/dbraw/zinc/11/09/65/1377110965.db2.gz LWAQWWXEDKGXNZ-DLBZAZTESA-N 2 1 327.557 3.273 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC1CC(C)(C)C1 ZINC001135481759 1377113819 /nfs/dbraw/zinc/11/38/19/1377113819.db2.gz WXMPTOXPNHJHCL-CVEARBPZSA-N 2 1 339.568 3.273 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CCC1CCCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135481799 1377113971 /nfs/dbraw/zinc/11/39/71/1377113971.db2.gz XQOWVCZOIAQMQK-IAGOWNOFSA-N 2 1 339.568 3.418 20 0 EGADMP CCCC[N@H+](CC)CC[NH2+]C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258518180 1377117166 /nfs/dbraw/zinc/11/71/66/1377117166.db2.gz BACOFPCHKKQGIB-UHFFFAOYSA-N 2 1 326.525 3.410 20 0 EGADMP CCCC[N@@H+](CC)CC[NH2+]C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258518180 1377117170 /nfs/dbraw/zinc/11/71/70/1377117170.db2.gz BACOFPCHKKQGIB-UHFFFAOYSA-N 2 1 326.525 3.410 20 0 EGADMP CC(C)C[NH2+]C[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001265619630 1377155076 /nfs/dbraw/zinc/15/50/76/1377155076.db2.gz QIMAYXMYTJPSJJ-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(C)c1 ZINC001265688009 1377159589 /nfs/dbraw/zinc/15/95/89/1377159589.db2.gz KSUNEYIHTLMNDD-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccsc1 ZINC001135678080 1377181286 /nfs/dbraw/zinc/18/12/86/1377181286.db2.gz BFCGBZGQGGYHAX-CABCVRRESA-N 2 1 348.516 3.106 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccsc1 ZINC001135678082 1377181303 /nfs/dbraw/zinc/18/13/03/1377181303.db2.gz BFCGBZGQGGYHAX-HUUCEWRRSA-N 2 1 348.516 3.106 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC(C)C ZINC001135680316 1377181843 /nfs/dbraw/zinc/18/18/43/1377181843.db2.gz UMEGAEDQCBVNGW-IRXDYDNUSA-N 2 1 336.524 3.281 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC001266304129 1377264494 /nfs/dbraw/zinc/26/44/94/1377264494.db2.gz JCMKQJKMAVTZRI-GOSISDBHSA-N 2 1 345.531 3.450 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001266304129 1377264500 /nfs/dbraw/zinc/26/45/00/1377264500.db2.gz JCMKQJKMAVTZRI-GOSISDBHSA-N 2 1 345.531 3.450 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001266304129 1377264506 /nfs/dbraw/zinc/26/45/06/1377264506.db2.gz JCMKQJKMAVTZRI-GOSISDBHSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC001135975866 1377284698 /nfs/dbraw/zinc/28/46/98/1377284698.db2.gz DQYKVWRNYFCIJA-CABCVRRESA-N 2 1 339.911 3.055 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCCn2ccnc2)C1 ZINC001266364506 1377296755 /nfs/dbraw/zinc/29/67/55/1377296755.db2.gz WZFBFRXQHQONSV-RBUKOAKNSA-N 2 1 340.471 3.005 20 0 EGADMP CCCC[N@H+]1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266754702 1377377419 /nfs/dbraw/zinc/37/74/19/1377377419.db2.gz GRDRSWQFWDMOJQ-GOSISDBHSA-N 2 1 337.552 3.127 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5nccnc5c4)C[C@@H]3C2)cc1 ZINC001137089059 1377476055 /nfs/dbraw/zinc/47/60/55/1377476055.db2.gz ZAZZRMVYAWEYGP-PMACEKPBSA-N 2 1 344.462 3.194 20 0 EGADMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2ccccc2-n2cccn2)C1 ZINC001137102406 1377478064 /nfs/dbraw/zinc/47/80/64/1377478064.db2.gz UJFKPNSINDFONE-GOSISDBHSA-N 2 1 334.423 3.229 20 0 EGADMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC001137189748 1377493632 /nfs/dbraw/zinc/49/36/32/1377493632.db2.gz FWTNWPITNSCVET-QGZVFWFLSA-N 2 1 335.407 3.297 20 0 EGADMP Cc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001137675170 1377589130 /nfs/dbraw/zinc/58/91/30/1377589130.db2.gz VNNVYJPMKWOGAV-QUCCMNQESA-N 2 1 339.458 3.483 20 0 EGADMP Cc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001137675170 1377589134 /nfs/dbraw/zinc/58/91/34/1377589134.db2.gz VNNVYJPMKWOGAV-QUCCMNQESA-N 2 1 339.458 3.483 20 0 EGADMP Cc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001137675170 1377589137 /nfs/dbraw/zinc/58/91/37/1377589137.db2.gz VNNVYJPMKWOGAV-QUCCMNQESA-N 2 1 339.458 3.483 20 0 EGADMP Cc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001137675170 1377589140 /nfs/dbraw/zinc/58/91/40/1377589140.db2.gz VNNVYJPMKWOGAV-QUCCMNQESA-N 2 1 339.458 3.483 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1C ZINC001138137135 1377683746 /nfs/dbraw/zinc/68/37/46/1377683746.db2.gz AUWLNMJORQVJTI-UHFFFAOYSA-N 2 1 349.519 3.360 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccc3nccnc23)CC1 ZINC001138301383 1377699055 /nfs/dbraw/zinc/69/90/55/1377699055.db2.gz NCOGLFHKLHMXOC-UHFFFAOYSA-N 2 1 333.439 3.072 20 0 EGADMP CCCCC[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138547316 1377739843 /nfs/dbraw/zinc/73/98/43/1377739843.db2.gz JXHPMRJGAUZMKB-UHFFFAOYSA-N 2 1 326.488 3.489 20 0 EGADMP Cc1nc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4C)cc3)CC2)no1 ZINC001138547347 1377740004 /nfs/dbraw/zinc/74/00/04/1377740004.db2.gz LJEAOGRDTGDTBX-UHFFFAOYSA-N 2 1 337.427 3.252 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H](Oc3ncccn3)C2)cc1 ZINC001138550481 1377741060 /nfs/dbraw/zinc/74/10/60/1377741060.db2.gz VFUKGOLNCOYYCF-IBGZPJMESA-N 2 1 349.438 3.014 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H](Oc3ncccn3)C2)cc1 ZINC001138550481 1377741061 /nfs/dbraw/zinc/74/10/61/1377741061.db2.gz VFUKGOLNCOYYCF-IBGZPJMESA-N 2 1 349.438 3.014 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nn1C ZINC001138830003 1377793151 /nfs/dbraw/zinc/79/31/51/1377793151.db2.gz CMYJFDWROWCYLV-VQTJNVASSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nn1C ZINC001138830003 1377793152 /nfs/dbraw/zinc/79/31/52/1377793152.db2.gz CMYJFDWROWCYLV-VQTJNVASSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nn1C ZINC001138830003 1377793153 /nfs/dbraw/zinc/79/31/53/1377793153.db2.gz CMYJFDWROWCYLV-VQTJNVASSA-N 2 1 338.499 3.073 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001138850741 1377794862 /nfs/dbraw/zinc/79/48/62/1377794862.db2.gz KKBAGZJPKUPRQK-INIZCTEOSA-N 2 1 344.377 3.121 20 0 EGADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cccc(-c2ccc(F)cc2)c1 ZINC001139069651 1377824438 /nfs/dbraw/zinc/82/44/38/1377824438.db2.gz SJIQMRDXUYOXJU-UHFFFAOYSA-N 2 1 341.474 3.172 20 0 EGADMP C[N@@H+](C1CCOCC1)C1CCN(Cc2ccc3cccnc3c2)CC1 ZINC001139168633 1377842893 /nfs/dbraw/zinc/84/28/93/1377842893.db2.gz UCGSBPVAMZYTOW-UHFFFAOYSA-N 2 1 339.483 3.310 20 0 EGADMP Cn1ccc2cc(CN3CCC([N@@H+](C)C4CCOCC4)CC3)ccc21 ZINC001139189429 1377847083 /nfs/dbraw/zinc/84/70/83/1377847083.db2.gz BNMPGNLAPDSDFW-UHFFFAOYSA-N 2 1 341.499 3.254 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(=O)n(C)c3ccccc23)CC1 ZINC001139762777 1377947896 /nfs/dbraw/zinc/94/78/96/1377947896.db2.gz UXPSULJIDKDFDG-UHFFFAOYSA-N 2 1 341.499 3.235 20 0 EGADMP Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)nc1 ZINC001139840848 1377961170 /nfs/dbraw/zinc/96/11/70/1377961170.db2.gz SCFORIMTBZSSSB-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cnc(-c4ccc(F)cc4)s3)C[C@@H]2C1 ZINC001140094596 1378007339 /nfs/dbraw/zinc/00/73/39/1378007339.db2.gz JFGNVLLUZKWFPI-CABCVRRESA-N 2 1 331.460 3.333 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cnc(-c4ccc(F)cc4)s3)C[C@@H]2C1 ZINC001140094596 1378007340 /nfs/dbraw/zinc/00/73/40/1378007340.db2.gz JFGNVLLUZKWFPI-CABCVRRESA-N 2 1 331.460 3.333 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cnc(-c4ccc(F)cc4)s3)C[C@@H]2C1 ZINC001140094596 1378007341 /nfs/dbraw/zinc/00/73/41/1378007341.db2.gz JFGNVLLUZKWFPI-CABCVRRESA-N 2 1 331.460 3.333 20 0 EGADMP COc1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OCC1CC1 ZINC001140491421 1378071977 /nfs/dbraw/zinc/07/19/77/1378071977.db2.gz ZKXRYSPGTLMIMB-FQEVSTJZSA-N 2 1 330.472 3.012 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccnn2-c2ccccc2)CC1 ZINC001140527443 1378078671 /nfs/dbraw/zinc/07/86/71/1378078671.db2.gz QGSAYPFIPBNAON-UHFFFAOYSA-N 2 1 326.488 3.425 20 0 EGADMP CC[C@@H](C)N1CC[C@]2(CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272716525 1378079738 /nfs/dbraw/zinc/07/97/38/1378079738.db2.gz GSGTUAGPAXMADB-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP Cc1cc(CN2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)ccc1O ZINC001140573726 1378087387 /nfs/dbraw/zinc/08/73/87/1378087387.db2.gz RMRAQKYLZCZTIU-HXUWFJFHSA-N 2 1 332.488 3.023 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)ccc1O ZINC001140573726 1378087388 /nfs/dbraw/zinc/08/73/88/1378087388.db2.gz RMRAQKYLZCZTIU-HXUWFJFHSA-N 2 1 332.488 3.023 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)ccc1O ZINC001140573726 1378087399 /nfs/dbraw/zinc/08/73/99/1378087399.db2.gz RMRAQKYLZCZTIU-HXUWFJFHSA-N 2 1 332.488 3.023 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)ccc1O ZINC001140573726 1378087403 /nfs/dbraw/zinc/08/74/03/1378087403.db2.gz RMRAQKYLZCZTIU-HXUWFJFHSA-N 2 1 332.488 3.023 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)ccc1O ZINC001140573726 1378087405 /nfs/dbraw/zinc/08/74/05/1378087405.db2.gz RMRAQKYLZCZTIU-HXUWFJFHSA-N 2 1 332.488 3.023 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)ccc1O ZINC001140573726 1378087409 /nfs/dbraw/zinc/08/74/09/1378087409.db2.gz RMRAQKYLZCZTIU-HXUWFJFHSA-N 2 1 332.488 3.023 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CC[NH+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001275069278 1378133851 /nfs/dbraw/zinc/13/38/51/1378133851.db2.gz HWWOQORDMXDEQL-KDURUIRLSA-N 2 1 332.536 3.483 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H]2CC[NH+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001275069278 1378133852 /nfs/dbraw/zinc/13/38/52/1378133852.db2.gz HWWOQORDMXDEQL-KDURUIRLSA-N 2 1 332.536 3.483 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CC[N@@H+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001275069278 1378133853 /nfs/dbraw/zinc/13/38/53/1378133853.db2.gz HWWOQORDMXDEQL-KDURUIRLSA-N 2 1 332.536 3.483 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CC[N@H+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001275069278 1378133854 /nfs/dbraw/zinc/13/38/54/1378133854.db2.gz HWWOQORDMXDEQL-KDURUIRLSA-N 2 1 332.536 3.483 20 0 EGADMP Cc1cc(F)ccc1CN1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001140779578 1378134124 /nfs/dbraw/zinc/13/41/24/1378134124.db2.gz RCRKZLPRAQVVTL-OALUTQOASA-N 2 1 325.431 3.093 20 0 EGADMP CN(C)CC[N@H+]1CCCC2(CC[NH+](CCCC(F)(F)F)CC2)C1 ZINC001275165529 1378137312 /nfs/dbraw/zinc/13/73/12/1378137312.db2.gz GVQMXNMLRDAXGC-UHFFFAOYSA-N 2 1 335.458 3.069 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801425 1378141506 /nfs/dbraw/zinc/14/15/06/1378141506.db2.gz NDBWWTPANRZSFW-RHSMWYFYSA-N 2 1 342.443 3.004 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[N@H+]2Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801425 1378141508 /nfs/dbraw/zinc/14/15/08/1378141508.db2.gz NDBWWTPANRZSFW-RHSMWYFYSA-N 2 1 342.443 3.004 20 0 EGADMP Cc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+]2CCCCC2)c1 ZINC001275722048 1378152568 /nfs/dbraw/zinc/15/25/68/1378152568.db2.gz ZFTOVNSGGUDBQM-LJQANCHMSA-N 2 1 345.531 3.198 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001276162054 1378169008 /nfs/dbraw/zinc/16/90/08/1378169008.db2.gz FGZVAEHUXKUADB-OAQYLSRUSA-N 2 1 338.499 3.407 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001276162054 1378169012 /nfs/dbraw/zinc/16/90/12/1378169012.db2.gz FGZVAEHUXKUADB-OAQYLSRUSA-N 2 1 338.499 3.407 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001276162054 1378169016 /nfs/dbraw/zinc/16/90/16/1378169016.db2.gz FGZVAEHUXKUADB-OAQYLSRUSA-N 2 1 338.499 3.407 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001276162054 1378169018 /nfs/dbraw/zinc/16/90/18/1378169018.db2.gz FGZVAEHUXKUADB-OAQYLSRUSA-N 2 1 338.499 3.407 20 0 EGADMP COc1ccc(-c2cc(C[NH+]3CCC4(CC[N@H+](C)C4)CC3)no2)cc1 ZINC001276315916 1378170951 /nfs/dbraw/zinc/17/09/51/1378170951.db2.gz FYINNZOZALADQR-UHFFFAOYSA-N 2 1 341.455 3.268 20 0 EGADMP COc1ccc(-c2cc(C[NH+]3CCC4(CC[N@@H+](C)C4)CC3)no2)cc1 ZINC001276315916 1378170957 /nfs/dbraw/zinc/17/09/57/1378170957.db2.gz FYINNZOZALADQR-UHFFFAOYSA-N 2 1 341.455 3.268 20 0 EGADMP Cc1csc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001276777003 1378187373 /nfs/dbraw/zinc/18/73/73/1378187373.db2.gz KWIALDQWBWPDNS-CALCHBBNSA-N 2 1 330.501 3.124 20 0 EGADMP Cc1csc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001276777003 1378187377 /nfs/dbraw/zinc/18/73/77/1378187377.db2.gz KWIALDQWBWPDNS-CALCHBBNSA-N 2 1 330.501 3.124 20 0 EGADMP Cc1csc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001276777003 1378187381 /nfs/dbraw/zinc/18/73/81/1378187381.db2.gz KWIALDQWBWPDNS-CALCHBBNSA-N 2 1 330.501 3.124 20 0 EGADMP COc1cccc(C[N@@H+](C)Cc2ccccc2N2CC[NH+](C)CC2)c1 ZINC001140973182 1378197188 /nfs/dbraw/zinc/19/71/88/1378197188.db2.gz FXJGIXWVMRRCAW-UHFFFAOYSA-N 2 1 339.483 3.079 20 0 EGADMP CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1COCCO1 ZINC001277524314 1378230355 /nfs/dbraw/zinc/23/03/55/1378230355.db2.gz GHPSAGPDTBHGCX-FCFHUKJJSA-N 2 1 338.536 3.203 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c(F)c1 ZINC001141192608 1378264904 /nfs/dbraw/zinc/26/49/04/1378264904.db2.gz BUTNBSOERXLIHW-QUCCMNQESA-N 2 1 339.458 3.483 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(F)c1 ZINC001141192608 1378264909 /nfs/dbraw/zinc/26/49/09/1378264909.db2.gz BUTNBSOERXLIHW-QUCCMNQESA-N 2 1 339.458 3.483 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(F)c1 ZINC001141192608 1378264915 /nfs/dbraw/zinc/26/49/15/1378264915.db2.gz BUTNBSOERXLIHW-QUCCMNQESA-N 2 1 339.458 3.483 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c(F)c1 ZINC001141192608 1378264922 /nfs/dbraw/zinc/26/49/22/1378264922.db2.gz BUTNBSOERXLIHW-QUCCMNQESA-N 2 1 339.458 3.483 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c(F)c1 ZINC001141192608 1378264926 /nfs/dbraw/zinc/26/49/26/1378264926.db2.gz BUTNBSOERXLIHW-QUCCMNQESA-N 2 1 339.458 3.483 20 0 EGADMP NC(=O)CCCCC[N@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001278218059 1378264982 /nfs/dbraw/zinc/26/49/82/1378264982.db2.gz RSBNKKARMIAWAD-FQEVSTJZSA-N 2 1 335.536 3.153 20 0 EGADMP NC(=O)CCCCC[NH+]1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001278218059 1378264988 /nfs/dbraw/zinc/26/49/88/1378264988.db2.gz RSBNKKARMIAWAD-FQEVSTJZSA-N 2 1 335.536 3.153 20 0 EGADMP NC(=O)CCCCC[NH+]1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001278218059 1378264993 /nfs/dbraw/zinc/26/49/93/1378264993.db2.gz RSBNKKARMIAWAD-FQEVSTJZSA-N 2 1 335.536 3.153 20 0 EGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(OC4CCOCC4)cc3)C[C@@H]2C1 ZINC001141418141 1378321775 /nfs/dbraw/zinc/32/17/75/1378321775.db2.gz NMVUTTXHXGJJOR-OALUTQOASA-N 2 1 344.499 3.018 20 0 EGADMP Cc1nc(C(F)(F)F)ccc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001141432618 1378323837 /nfs/dbraw/zinc/32/38/37/1378323837.db2.gz FBVDJMUTEUDRGF-UHFFFAOYSA-N 2 1 327.394 3.327 20 0 EGADMP COCC[N@@H+](Cc1ccc2nc(C)ccc2c1)C1CCN(C)CC1 ZINC001141479072 1378332777 /nfs/dbraw/zinc/33/27/77/1378332777.db2.gz ZCVBVAGDIUEELQ-UHFFFAOYSA-N 2 1 327.472 3.086 20 0 EGADMP COc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1OC1CCCC1 ZINC001141523590 1378338928 /nfs/dbraw/zinc/33/89/28/1378338928.db2.gz XYDYJBMUPNOIIQ-CALCHBBNSA-N 2 1 330.472 3.010 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc3c(c2)OCCCO3)CC1 ZINC001142262935 1378426189 /nfs/dbraw/zinc/42/61/89/1378426189.db2.gz UCAWBRAMJICRKU-UHFFFAOYSA-N 2 1 332.488 3.400 20 0 EGADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001143446910 1378597743 /nfs/dbraw/zinc/59/77/43/1378597743.db2.gz JSRXHLOWJJIQFS-UHFFFAOYSA-N 2 1 331.313 3.443 20 0 EGADMP c1[nH+]c(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)c2ccccn12 ZINC001144624933 1378752282 /nfs/dbraw/zinc/75/22/82/1378752282.db2.gz WIBYUWCGOKSOCO-UHFFFAOYSA-N 2 1 346.478 3.357 20 0 EGADMP c1[nH+]c(CN2CCC([N@H+]3CCc4ccccc4C3)CC2)c2ccccn12 ZINC001144624933 1378752284 /nfs/dbraw/zinc/75/22/84/1378752284.db2.gz WIBYUWCGOKSOCO-UHFFFAOYSA-N 2 1 346.478 3.357 20 0 EGADMP CCc1ccccc1CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146593828 1378872940 /nfs/dbraw/zinc/87/29/40/1378872940.db2.gz QLTLEJQRPXSPSB-ROUUACIJSA-N 2 1 347.547 3.005 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001146593212 1378873063 /nfs/dbraw/zinc/87/30/63/1378873063.db2.gz OMUPKKYFQRKQPI-HUUCEWRRSA-N 2 1 339.911 3.053 20 0 EGADMP Cc1cccc(CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001146594253 1378874585 /nfs/dbraw/zinc/87/45/85/1378874585.db2.gz SDFPLXSTXRIDIK-OALUTQOASA-N 2 1 347.547 3.141 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C)cc1C ZINC001147358556 1379008316 /nfs/dbraw/zinc/00/83/16/1379008316.db2.gz GTIGITRUDMMTNF-HXUWFJFHSA-N 2 1 345.531 3.164 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH2+]CC1CCC(C)CC1)c1ccccc1 ZINC001147457314 1379025421 /nfs/dbraw/zinc/02/54/21/1379025421.db2.gz DVLUUCAQZITDOL-AFMYVXGZSA-N 2 1 345.531 3.212 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)CC[NH+](CCC1=CCCCC1)C2 ZINC001147809884 1379083548 /nfs/dbraw/zinc/08/35/48/1379083548.db2.gz KBUXYLUITJYYIN-UHFFFAOYSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CCC1=CCCCC1)C2 ZINC001147809884 1379083553 /nfs/dbraw/zinc/08/35/53/1379083553.db2.gz KBUXYLUITJYYIN-UHFFFAOYSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](CCC1=CCCCC1)C2 ZINC001147809884 1379083555 /nfs/dbraw/zinc/08/35/55/1379083555.db2.gz KBUXYLUITJYYIN-UHFFFAOYSA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)CC[NH+](CCCC1CCCC1)C2 ZINC001147836608 1379089378 /nfs/dbraw/zinc/08/93/78/1379089378.db2.gz ZURWXIUQQPKUSK-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CCCC1CCCC1)C2 ZINC001147836608 1379089379 /nfs/dbraw/zinc/08/93/79/1379089379.db2.gz ZURWXIUQQPKUSK-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](CCCC1CCCC1)C2 ZINC001147836608 1379089380 /nfs/dbraw/zinc/08/93/80/1379089380.db2.gz ZURWXIUQQPKUSK-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CCC(C)C)C2 ZINC001148458366 1379175496 /nfs/dbraw/zinc/17/54/96/1379175496.db2.gz OMWVQQUZWUVFFZ-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CCC(C)C)C2 ZINC001148458366 1379175498 /nfs/dbraw/zinc/17/54/98/1379175498.db2.gz OMWVQQUZWUVFFZ-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CCC(C)C)C2 ZINC001148458366 1379175501 /nfs/dbraw/zinc/17/55/01/1379175501.db2.gz OMWVQQUZWUVFFZ-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c1 ZINC001284133059 1379518309 /nfs/dbraw/zinc/51/83/09/1379518309.db2.gz UBGMBWPIDYVONA-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152391834 1379925890 /nfs/dbraw/zinc/92/58/90/1379925890.db2.gz GQUSBCFOVXXBLM-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CCCCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152391834 1379925894 /nfs/dbraw/zinc/92/58/94/1379925894.db2.gz GQUSBCFOVXXBLM-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CCCCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152391834 1379925896 /nfs/dbraw/zinc/92/58/96/1379925896.db2.gz GQUSBCFOVXXBLM-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H]([NH2+]CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC001152528238 1379945503 /nfs/dbraw/zinc/94/55/03/1379945503.db2.gz BNAAPSYGMQFTIM-UXHICEINSA-N 2 1 339.483 3.146 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1cccc(F)c1 ZINC001153720741 1380119108 /nfs/dbraw/zinc/11/91/08/1380119108.db2.gz OCQRAENYPMQYPV-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(F)c1 ZINC001153720741 1380119109 /nfs/dbraw/zinc/11/91/09/1380119109.db2.gz OCQRAENYPMQYPV-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(F)c1 ZINC001153720741 1380119110 /nfs/dbraw/zinc/11/91/10/1380119110.db2.gz OCQRAENYPMQYPV-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153824331 1380137367 /nfs/dbraw/zinc/13/73/67/1380137367.db2.gz QAHIESMAJADWDB-SJLPKXTDSA-N 2 1 346.519 3.167 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153824331 1380137370 /nfs/dbraw/zinc/13/73/70/1380137370.db2.gz QAHIESMAJADWDB-SJLPKXTDSA-N 2 1 346.519 3.167 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153880059 1380148793 /nfs/dbraw/zinc/14/87/93/1380148793.db2.gz VOPJTQXSRZPBMC-JCMVTEASSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153880059 1380148795 /nfs/dbraw/zinc/14/87/95/1380148795.db2.gz VOPJTQXSRZPBMC-JCMVTEASSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153880059 1380148797 /nfs/dbraw/zinc/14/87/97/1380148797.db2.gz VOPJTQXSRZPBMC-JCMVTEASSA-N 2 1 337.552 3.434 20 0 EGADMP CC[N@@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930626 1380156994 /nfs/dbraw/zinc/15/69/94/1380156994.db2.gz UPOIAUZXIVPTMG-KSZLIROESA-N 2 1 327.557 3.081 20 0 EGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930620 1380157116 /nfs/dbraw/zinc/15/71/16/1380157116.db2.gz UEBUNQWKXBZRMB-QUCCMNQESA-N 2 1 347.547 3.216 20 0 EGADMP CCc1ccc(C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC001154034228 1380186953 /nfs/dbraw/zinc/18/69/53/1380186953.db2.gz XDPPXOQBZGHHIS-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[NH+](CC)[C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001154034228 1380186954 /nfs/dbraw/zinc/18/69/54/1380186954.db2.gz XDPPXOQBZGHHIS-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[NH+](CC)[C@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001154034228 1380186955 /nfs/dbraw/zinc/18/69/55/1380186955.db2.gz XDPPXOQBZGHHIS-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CCCC(C)(C)C ZINC001154070189 1380198357 /nfs/dbraw/zinc/19/83/57/1380198357.db2.gz SIRPBWASULCIIS-MRXNPFEDSA-N 2 1 327.557 3.370 20 0 EGADMP CC[NH+](CCCC(C)(C)C)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154070189 1380198358 /nfs/dbraw/zinc/19/83/58/1380198358.db2.gz SIRPBWASULCIIS-MRXNPFEDSA-N 2 1 327.557 3.370 20 0 EGADMP CC[NH+](CCCC(C)(C)C)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154070189 1380198362 /nfs/dbraw/zinc/19/83/62/1380198362.db2.gz SIRPBWASULCIIS-MRXNPFEDSA-N 2 1 327.557 3.370 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC001154465940 1380283087 /nfs/dbraw/zinc/28/30/87/1380283087.db2.gz PAENNZJDSJNEFA-HBFSDRIKSA-N 2 1 345.531 3.224 20 0 EGADMP CC[C@H](F)C[N@@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154482074 1380286473 /nfs/dbraw/zinc/28/64/73/1380286473.db2.gz YBZHXLOOMMPPLN-SJORKVTESA-N 2 1 343.531 3.073 20 0 EGADMP CC[N@@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580008 1380308966 /nfs/dbraw/zinc/30/89/66/1380308966.db2.gz KFUWOKRXQUWDOA-QZTJIDSGSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844671 1380363732 /nfs/dbraw/zinc/36/37/32/1380363732.db2.gz TXHVARSUZSNHNK-NSHGMRRFSA-N 2 1 345.531 3.052 20 0 EGADMP CC[NH+](Cc1cccc(C)c1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001154844671 1380363736 /nfs/dbraw/zinc/36/37/36/1380363736.db2.gz TXHVARSUZSNHNK-NSHGMRRFSA-N 2 1 345.531 3.052 20 0 EGADMP CC[NH+](Cc1cccc(C)c1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001154844671 1380363739 /nfs/dbraw/zinc/36/37/39/1380363739.db2.gz TXHVARSUZSNHNK-NSHGMRRFSA-N 2 1 345.531 3.052 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154856464 1380366388 /nfs/dbraw/zinc/36/63/88/1380366388.db2.gz DYGOMZAWPPNQLQ-SCTDSRPQSA-N 2 1 335.536 3.044 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001154856464 1380366389 /nfs/dbraw/zinc/36/63/89/1380366389.db2.gz DYGOMZAWPPNQLQ-SCTDSRPQSA-N 2 1 335.536 3.044 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001154856464 1380366390 /nfs/dbraw/zinc/36/63/90/1380366390.db2.gz DYGOMZAWPPNQLQ-SCTDSRPQSA-N 2 1 335.536 3.044 20 0 EGADMP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876379 1380371077 /nfs/dbraw/zinc/37/10/77/1380371077.db2.gz OLOYJVYHGKWCBU-QAPCUYQASA-N 2 1 348.535 3.017 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876379 1380371078 /nfs/dbraw/zinc/37/10/78/1380371078.db2.gz OLOYJVYHGKWCBU-QAPCUYQASA-N 2 1 348.535 3.017 20 0 EGADMP [NH3+][C@H]1CCC[C@H](Nc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C1 ZINC001154987465 1380385949 /nfs/dbraw/zinc/38/59/49/1380385949.db2.gz XNJDLPPOECRRBI-OALUTQOASA-N 2 1 336.483 3.322 20 0 EGADMP C[N@@H+](Cc1ccc(N2CC[NH+]3CCc4ccccc4[C@H]3C2)nc1)C1CC1 ZINC001155103049 1380409051 /nfs/dbraw/zinc/40/90/51/1380409051.db2.gz IPGZBWWLUQJPQO-OAQYLSRUSA-N 2 1 348.494 3.095 20 0 EGADMP C[NH+](Cc1ccc(N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)nc1)C1CC1 ZINC001155103049 1380409052 /nfs/dbraw/zinc/40/90/52/1380409052.db2.gz IPGZBWWLUQJPQO-OAQYLSRUSA-N 2 1 348.494 3.095 20 0 EGADMP C[NH+](Cc1ccc(N2CC[N@H+]3CCc4ccccc4[C@H]3C2)nc1)C1CC1 ZINC001155103049 1380409053 /nfs/dbraw/zinc/40/90/53/1380409053.db2.gz IPGZBWWLUQJPQO-OAQYLSRUSA-N 2 1 348.494 3.095 20 0 EGADMP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155254894 1380429257 /nfs/dbraw/zinc/42/92/57/1380429257.db2.gz IDZHFXXREWRAQS-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001155254894 1380429258 /nfs/dbraw/zinc/42/92/58/1380429258.db2.gz IDZHFXXREWRAQS-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001155254894 1380429260 /nfs/dbraw/zinc/42/92/60/1380429260.db2.gz IDZHFXXREWRAQS-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1cc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)nc2c(Cl)cccc12 ZINC001155375492 1380443302 /nfs/dbraw/zinc/44/33/02/1380443302.db2.gz FRJBYQBKIVKNRU-HNNXBMFYSA-N 2 1 344.890 3.056 20 0 EGADMP COc1ccc2c[nH+]c(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)cc2c1 ZINC001155384758 1380444902 /nfs/dbraw/zinc/44/49/02/1380444902.db2.gz PKVKJKXGMNOGFV-GOSISDBHSA-N 2 1 341.455 3.204 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001155790986 1380492414 /nfs/dbraw/zinc/49/24/14/1380492414.db2.gz QEBDZEBWKRYUOK-QFBILLFUSA-N 2 1 331.504 3.061 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)C[C@H](F)CC ZINC001155877847 1380501783 /nfs/dbraw/zinc/50/17/83/1380501783.db2.gz LNCWHEVYWBQQJX-IAGOWNOFSA-N 2 1 331.520 3.073 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)C[C@H](F)CC ZINC001155877847 1380501784 /nfs/dbraw/zinc/50/17/84/1380501784.db2.gz LNCWHEVYWBQQJX-IAGOWNOFSA-N 2 1 331.520 3.073 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](F)CC ZINC001155877847 1380501785 /nfs/dbraw/zinc/50/17/85/1380501785.db2.gz LNCWHEVYWBQQJX-IAGOWNOFSA-N 2 1 331.520 3.073 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428574 1380575122 /nfs/dbraw/zinc/57/51/22/1380575122.db2.gz SRGATTCATPBJAW-OAGJVSPASA-N 2 1 346.519 3.334 20 0 EGADMP CC[N@@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156476054 1380581290 /nfs/dbraw/zinc/58/12/90/1380581290.db2.gz ZVEQZSGPZFOGED-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C[C@H](C)CC(C)C)CC1(C)C ZINC001328098837 1388670388 /nfs/dbraw/zinc/67/03/88/1388670388.db2.gz QRVLPSSPYHPLBQ-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CCOC(=O)c1c[nH]c2cc(NCCC[N@H+]3CCCC[C@@H]3C)[nH+]cc21 ZINC001156927476 1380730516 /nfs/dbraw/zinc/73/05/16/1380730516.db2.gz FCACKCKRSRBUMN-AWEZNQCLSA-N 2 1 344.459 3.416 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092400 1380773921 /nfs/dbraw/zinc/77/39/21/1380773921.db2.gz WNQKHTCMYDZRAQ-GOSISDBHSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157098461 1380775116 /nfs/dbraw/zinc/77/51/16/1380775116.db2.gz HEDSOVQJYLFRTJ-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CC[N@@H+](CCCc1ccccc1C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113687 1380779201 /nfs/dbraw/zinc/77/92/01/1380779201.db2.gz KYBRAMQJLPZEJV-LJQANCHMSA-N 2 1 347.547 3.094 20 0 EGADMP CC[NH+](CCCc1ccccc1C)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157113687 1380779207 /nfs/dbraw/zinc/77/92/07/1380779207.db2.gz KYBRAMQJLPZEJV-LJQANCHMSA-N 2 1 347.547 3.094 20 0 EGADMP CC[NH+](CCCc1ccccc1C)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157113687 1380779213 /nfs/dbraw/zinc/77/92/13/1380779213.db2.gz KYBRAMQJLPZEJV-LJQANCHMSA-N 2 1 347.547 3.094 20 0 EGADMP CC[N@@H+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157114253 1380779605 /nfs/dbraw/zinc/77/96/05/1380779605.db2.gz URPCSENSNGAPMB-GOSISDBHSA-N 2 1 347.547 3.477 20 0 EGADMP CC[NH+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157114253 1380779609 /nfs/dbraw/zinc/77/96/09/1380779609.db2.gz URPCSENSNGAPMB-GOSISDBHSA-N 2 1 347.547 3.477 20 0 EGADMP CC[NH+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157114253 1380779612 /nfs/dbraw/zinc/77/96/12/1380779612.db2.gz URPCSENSNGAPMB-GOSISDBHSA-N 2 1 347.547 3.477 20 0 EGADMP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157132459 1380783160 /nfs/dbraw/zinc/78/31/60/1380783160.db2.gz ICOJOBKAIUPCKR-IEBWSBKVSA-N 2 1 331.504 3.082 20 0 EGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157132459 1380783165 /nfs/dbraw/zinc/78/31/65/1380783165.db2.gz ICOJOBKAIUPCKR-IEBWSBKVSA-N 2 1 331.504 3.082 20 0 EGADMP c1cn(-c2ncccc2C[NH+]2CCCC2)nc1C[NH2+]Cc1ccccc1 ZINC001157615847 1380983479 /nfs/dbraw/zinc/98/34/79/1380983479.db2.gz FGCWRDJHLAKVML-UHFFFAOYSA-N 2 1 347.466 3.153 20 0 EGADMP C[N@@H+](Cc1ccc(N2CCC(C)([NH+]3CCCC3)CC2)nc1)C1CC1 ZINC001157658340 1380992100 /nfs/dbraw/zinc/99/21/00/1380992100.db2.gz OMJMWBBRPOPVGQ-UHFFFAOYSA-N 2 1 328.504 3.131 20 0 EGADMP CC1(C)C[C@@H](Nc2cc[nH+]c(N3CCCCC3)n2)C[C@@](C)(C[NH3+])C1 ZINC001158265634 1381178412 /nfs/dbraw/zinc/17/84/12/1381178412.db2.gz PCLQLRPVJJPDGV-DNVCBOLYSA-N 2 1 331.508 3.423 20 0 EGADMP CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001158290028 1381187093 /nfs/dbraw/zinc/18/70/93/1381187093.db2.gz UFLCXJGVZOPPPH-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP C[N@@H+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158336336 1381206540 /nfs/dbraw/zinc/20/65/40/1381206540.db2.gz LOIHNOJVCOEFPQ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001158336336 1381206549 /nfs/dbraw/zinc/20/65/49/1381206549.db2.gz LOIHNOJVCOEFPQ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001158336336 1381206558 /nfs/dbraw/zinc/20/65/58/1381206558.db2.gz LOIHNOJVCOEFPQ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH2+]CC1CC2(CCC2)C1 ZINC001158354296 1381214562 /nfs/dbraw/zinc/21/45/62/1381214562.db2.gz HBTNYBHYFHUFLF-INIZCTEOSA-N 2 1 346.519 3.073 20 0 EGADMP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001158473043 1381256544 /nfs/dbraw/zinc/25/65/44/1381256544.db2.gz JCCQVSCXXAWWHU-NHQAVIFJSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001158473043 1381256552 /nfs/dbraw/zinc/25/65/52/1381256552.db2.gz JCCQVSCXXAWWHU-NHQAVIFJSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001158473043 1381256559 /nfs/dbraw/zinc/25/65/59/1381256559.db2.gz JCCQVSCXXAWWHU-NHQAVIFJSA-N 2 1 349.563 3.388 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001158549346 1381292134 /nfs/dbraw/zinc/29/21/34/1381292134.db2.gz CMBVNFZABYAIDD-RTBURBONSA-N 2 1 337.552 3.364 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1CCC1CCCC1 ZINC001328280703 1388711496 /nfs/dbraw/zinc/71/14/96/1388711496.db2.gz AEAWTLQRUBQCIO-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)C[C@@H](C)CC(C)C ZINC001158625287 1381328278 /nfs/dbraw/zinc/32/82/78/1381328278.db2.gz MBRPPAHTZKPHRV-RBUKOAKNSA-N 2 1 339.568 3.323 20 0 EGADMP C[N@@H+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158750244 1381382895 /nfs/dbraw/zinc/38/28/95/1381382895.db2.gz HGOHGMAJOKZVGQ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001158750244 1381382906 /nfs/dbraw/zinc/38/29/06/1381382906.db2.gz HGOHGMAJOKZVGQ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001158750244 1381382914 /nfs/dbraw/zinc/38/29/14/1381382914.db2.gz HGOHGMAJOKZVGQ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CCCC1 ZINC001158781392 1381396430 /nfs/dbraw/zinc/39/64/30/1381396430.db2.gz PNIONMIESFFWLU-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC001158781392 1381396435 /nfs/dbraw/zinc/39/64/35/1381396435.db2.gz PNIONMIESFFWLU-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC001158781392 1381396442 /nfs/dbraw/zinc/39/64/42/1381396442.db2.gz PNIONMIESFFWLU-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP C[N@@H+](CCCC1CCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158866558 1381441480 /nfs/dbraw/zinc/44/14/80/1381441480.db2.gz RGNHHGCXPMOJRH-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001158866558 1381441487 /nfs/dbraw/zinc/44/14/87/1381441487.db2.gz RGNHHGCXPMOJRH-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001158866558 1381441500 /nfs/dbraw/zinc/44/15/00/1381441500.db2.gz RGNHHGCXPMOJRH-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001158909904 1381459684 /nfs/dbraw/zinc/45/96/84/1381459684.db2.gz ZTQNKAVDEXCMPR-LJQANCHMSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001158922926 1381464777 /nfs/dbraw/zinc/46/47/77/1381464777.db2.gz NIXAXKTWAYODSU-OLHLWXQYSA-N 2 1 337.552 3.386 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001158922926 1381464785 /nfs/dbraw/zinc/46/47/85/1381464785.db2.gz NIXAXKTWAYODSU-OLHLWXQYSA-N 2 1 337.552 3.386 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001158922926 1381464793 /nfs/dbraw/zinc/46/47/93/1381464793.db2.gz NIXAXKTWAYODSU-OLHLWXQYSA-N 2 1 337.552 3.386 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001158922503 1381465812 /nfs/dbraw/zinc/46/58/12/1381465812.db2.gz ALRQVYKJDFIQSH-GOSISDBHSA-N 2 1 325.541 3.220 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001158922503 1381465816 /nfs/dbraw/zinc/46/58/16/1381465816.db2.gz ALRQVYKJDFIQSH-GOSISDBHSA-N 2 1 325.541 3.220 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001158922503 1381465825 /nfs/dbraw/zinc/46/58/25/1381465825.db2.gz ALRQVYKJDFIQSH-GOSISDBHSA-N 2 1 325.541 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001159335264 1381768236 /nfs/dbraw/zinc/76/82/36/1381768236.db2.gz XEWNOLWNFMCBGH-ICSRJNTNSA-N 2 1 345.531 3.335 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](CC)c1ccccc1 ZINC001159355548 1381775207 /nfs/dbraw/zinc/77/52/07/1381775207.db2.gz HADVDGXIRHBSLK-MOPGFXCFSA-N 2 1 331.504 3.108 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001159907617 1381934400 /nfs/dbraw/zinc/93/44/00/1381934400.db2.gz BUEIDUYQHSPCFE-KRWDZBQOSA-N 2 1 325.541 3.172 20 0 EGADMP [NH3+][C@@H]1CCN(c2ccccc2NC2=CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001160040574 1381976387 /nfs/dbraw/zinc/97/63/87/1381976387.db2.gz MIBUQSOHARHVOI-LJQANCHMSA-N 2 1 348.494 3.426 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1N(c1c(N)cccc1F)C1CC[NH2+]CC1 ZINC001160047425 1381979485 /nfs/dbraw/zinc/97/94/85/1381979485.db2.gz YHDGPDZSTODHRT-UHFFFAOYSA-N 2 1 343.450 3.067 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001160073672 1381989971 /nfs/dbraw/zinc/98/99/71/1381989971.db2.gz QCWOESCNVHOTQA-UHFFFAOYSA-N 2 1 343.450 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001160119474 1382003337 /nfs/dbraw/zinc/00/33/37/1382003337.db2.gz BVJKCIGVOTWXRM-LJQANCHMSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001160119474 1382003339 /nfs/dbraw/zinc/00/33/39/1382003339.db2.gz BVJKCIGVOTWXRM-LJQANCHMSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001160119474 1382003345 /nfs/dbraw/zinc/00/33/45/1382003345.db2.gz BVJKCIGVOTWXRM-LJQANCHMSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001160194105 1382029617 /nfs/dbraw/zinc/02/96/17/1382029617.db2.gz RSOAASDASAAHJV-RHSMWYFYSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001160194105 1382029622 /nfs/dbraw/zinc/02/96/22/1382029622.db2.gz RSOAASDASAAHJV-RHSMWYFYSA-N 2 1 339.911 3.179 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160360120 1382082195 /nfs/dbraw/zinc/08/21/95/1382082195.db2.gz JIKXDXQWUZQIEZ-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001160360120 1382082198 /nfs/dbraw/zinc/08/21/98/1382082198.db2.gz JIKXDXQWUZQIEZ-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001160360120 1382082204 /nfs/dbraw/zinc/08/22/04/1382082204.db2.gz JIKXDXQWUZQIEZ-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360291 1382082967 /nfs/dbraw/zinc/08/29/67/1382082967.db2.gz NJDHEDTWKIKOPA-UYAOXDASSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160360291 1382082973 /nfs/dbraw/zinc/08/29/73/1382082973.db2.gz NJDHEDTWKIKOPA-UYAOXDASSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160360291 1382082975 /nfs/dbraw/zinc/08/29/75/1382082975.db2.gz NJDHEDTWKIKOPA-UYAOXDASSA-N 2 1 349.563 3.434 20 0 EGADMP C[N@@H+](CC(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1)C1CCC1 ZINC001160380250 1382089222 /nfs/dbraw/zinc/08/92/22/1382089222.db2.gz WKDXPGJKCWAGEV-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+](CC(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1)C1CCC1 ZINC001160380250 1382089229 /nfs/dbraw/zinc/08/92/29/1382089229.db2.gz WKDXPGJKCWAGEV-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+](CC(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1)C1CCC1 ZINC001160380250 1382089230 /nfs/dbraw/zinc/08/92/30/1382089230.db2.gz WKDXPGJKCWAGEV-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001160617232 1382154323 /nfs/dbraw/zinc/15/43/23/1382154323.db2.gz IOEFEAJXIYIXAU-UHFFFAOYSA-N 2 1 340.471 3.132 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160856993 1382217987 /nfs/dbraw/zinc/21/79/87/1382217987.db2.gz TXESOOFIWCTAFB-UHFFFAOYSA-N 2 1 335.536 3.189 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1cc2ccccc2s1 ZINC001161227089 1382349011 /nfs/dbraw/zinc/34/90/11/1382349011.db2.gz UQPPEFVKHMVOLC-UHFFFAOYSA-N 2 1 347.528 3.228 20 0 EGADMP c1cc2c([nH+]c1NCC1CC[NH+](C3CCOCC3)CC1)CCCC2 ZINC001161236679 1382350990 /nfs/dbraw/zinc/35/09/90/1382350990.db2.gz TVBORHROTNPZDX-UHFFFAOYSA-N 2 1 329.488 3.263 20 0 EGADMP CC[C@@H](C(=O)NCCC1=CC[N@@H+](Cc2csc(C)c2)CC1)[NH+](C)C ZINC001161238877 1382351052 /nfs/dbraw/zinc/35/10/52/1382351052.db2.gz BKOWZFZSQZOCEC-SFHVURJKSA-N 2 1 349.544 3.035 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161391373 1382395945 /nfs/dbraw/zinc/39/59/45/1382395945.db2.gz QXHNSWRFSIRIHT-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CC[NH+](CC)CC(=O)NCCC1=CC[N@@H+](CCC2CCCCC2)CC1 ZINC001161504816 1382425905 /nfs/dbraw/zinc/42/59/05/1382425905.db2.gz STQSRJDTLLWIPP-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCC/C=C/CC[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001161518640 1382429003 /nfs/dbraw/zinc/42/90/03/1382429003.db2.gz KYDCXEIITXLBFZ-BQYQJAHWSA-N 2 1 337.552 3.482 20 0 EGADMP C[C@@H]([NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)c1ccccc1 ZINC001161524950 1382430420 /nfs/dbraw/zinc/43/04/20/1382430420.db2.gz PZVCRTVGBIZQLO-QGZVFWFLSA-N 2 1 345.531 3.497 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001161649487 1382470233 /nfs/dbraw/zinc/47/02/33/1382470233.db2.gz JUEWTLXIJNDUBC-AZUAARDMSA-N 2 1 345.531 3.272 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)NCCC1=CC[N@@H+](CC2CC2)CC1 ZINC001161678460 1382478599 /nfs/dbraw/zinc/47/85/99/1382478599.db2.gz GWENGXIBHSAWCU-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CCC)CC1 ZINC001161679291 1382478607 /nfs/dbraw/zinc/47/86/07/1382478607.db2.gz XYAWTBXPHGUOLS-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](CCC)CC1 ZINC001161679291 1382478609 /nfs/dbraw/zinc/47/86/09/1382478609.db2.gz XYAWTBXPHGUOLS-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CCC)CC1 ZINC001161679291 1382478610 /nfs/dbraw/zinc/47/86/10/1382478610.db2.gz XYAWTBXPHGUOLS-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCCC2=CC[NH+](CCC3CCCC3)CC2)C1 ZINC001161704943 1382485483 /nfs/dbraw/zinc/48/54/83/1382485483.db2.gz MEPPSXJCVQYMNQ-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NCCC2=CC[N@H+](CCC3CCCC3)CC2)C1 ZINC001161704943 1382485487 /nfs/dbraw/zinc/48/54/87/1382485487.db2.gz MEPPSXJCVQYMNQ-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NCCC2=CC[N@@H+](CCC3CCCC3)CC2)C1 ZINC001161704943 1382485491 /nfs/dbraw/zinc/48/54/91/1382485491.db2.gz MEPPSXJCVQYMNQ-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001161924620 1382555146 /nfs/dbraw/zinc/55/51/46/1382555146.db2.gz GPOXUCHZTOPQIG-QZTJIDSGSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@H+](CCC2=CCCCC2)CC1 ZINC001161946773 1382565317 /nfs/dbraw/zinc/56/53/17/1382565317.db2.gz CEQONLXSPNFHLX-UHFFFAOYSA-N 2 1 347.547 3.356 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@@H+](CCC2=CCCCC2)CC1 ZINC001161946773 1382565323 /nfs/dbraw/zinc/56/53/23/1382565323.db2.gz CEQONLXSPNFHLX-UHFFFAOYSA-N 2 1 347.547 3.356 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001161946894 1382566484 /nfs/dbraw/zinc/56/64/84/1382566484.db2.gz KXDOAGDEWZNQNW-BQYQJAHWSA-N 2 1 335.536 3.211 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001161946894 1382566487 /nfs/dbraw/zinc/56/64/87/1382566487.db2.gz KXDOAGDEWZNQNW-BQYQJAHWSA-N 2 1 335.536 3.211 20 0 EGADMP CC(C)[C@@H](C(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1)[NH+]1CCCC1 ZINC001161952070 1382566953 /nfs/dbraw/zinc/56/69/53/1382566953.db2.gz CNKIINHRCUQJRF-FQEVSTJZSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161952265 1382567386 /nfs/dbraw/zinc/56/73/86/1382567386.db2.gz FDKQUBCLDGNNDL-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP [NH3+][C@H]1CC[C@H](N(CC2CCCC2)c2nc(NC3CC3)cc[nH+]2)CC1 ZINC001162182368 1382651377 /nfs/dbraw/zinc/65/13/77/1382651377.db2.gz HQCXBYWAYYXHFG-JCNLHEQBSA-N 2 1 329.492 3.317 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(NC[C@@H]2CC[NH2+]C[C@@H]2F)nc1 ZINC001162808420 1382880278 /nfs/dbraw/zinc/88/02/78/1382880278.db2.gz JWRLSGHGLQKPCT-RYQLBKOJSA-N 2 1 334.483 3.378 20 0 EGADMP C[N@H+]1CC[C@@H](c2ccc(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)cc2)C1 ZINC001162967282 1382930233 /nfs/dbraw/zinc/93/02/33/1382930233.db2.gz OBYZTMZUGQFCGH-QUCCMNQESA-N 2 1 343.515 3.066 20 0 EGADMP C[N@@H+](CCC(=O)NCCC[NH2+]CCC(C)(C)C)C1CCCCC1 ZINC001163274657 1383010461 /nfs/dbraw/zinc/01/04/61/1383010461.db2.gz BFXZHBIRMMAUNI-UHFFFAOYSA-N 2 1 325.541 3.173 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001163821624 1383125671 /nfs/dbraw/zinc/12/56/71/1383125671.db2.gz NNIJBXBDALQTDS-HKUYNNGSSA-N 2 1 343.515 3.026 20 0 EGADMP CC[C@@H]([NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC001163822187 1383125706 /nfs/dbraw/zinc/12/57/06/1383125706.db2.gz UZZKUVBAPOGDNL-MOPGFXCFSA-N 2 1 343.515 3.108 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@H](CC)c2ccccc2)C1 ZINC001164456771 1383188657 /nfs/dbraw/zinc/18/86/57/1383188657.db2.gz ZEJPRFBTZHSAHU-WOJBJXKFSA-N 2 1 345.531 3.356 20 0 EGADMP C[C@@H]1CC[C@H](C[NH3+])CN1c1[nH+]cnc2c1ccn2Cc1ccccc1 ZINC001164469296 1383189868 /nfs/dbraw/zinc/18/98/68/1383189868.db2.gz ZPKRBONTRQVKSH-NVXWUHKLSA-N 2 1 335.455 3.043 20 0 EGADMP Cc1[nH+]ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1F ZINC001164499545 1383193702 /nfs/dbraw/zinc/19/37/02/1383193702.db2.gz RRXIBBZDNFNWGS-FGTMMUONSA-N 2 1 325.431 3.274 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164515113 1383195318 /nfs/dbraw/zinc/19/53/18/1383195318.db2.gz VSZKCLHIBIFXIT-SFHVURJKSA-N 2 1 337.552 3.172 20 0 EGADMP C[N@@H+]1C[C@H]2CN(c3[nH+]ccc4c3ccn4Cc3ccccc3)C[C@H]2C1 ZINC001165148649 1383237252 /nfs/dbraw/zinc/23/72/52/1383237252.db2.gz JDYQVQWNFFNYKT-HDICACEKSA-N 2 1 332.451 3.082 20 0 EGADMP c1[nH+]c2cc(NC[C@@H]3CCCCO3)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001165229950 1383254030 /nfs/dbraw/zinc/25/40/30/1383254030.db2.gz PRSXLGYZHLXGDS-IRXDYDNUSA-N 2 1 328.460 3.332 20 0 EGADMP CCCc1cc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc(C)[nH+]1 ZINC001165418707 1383291887 /nfs/dbraw/zinc/29/18/87/1383291887.db2.gz QXLIYFYTFGOGPM-CTNGQTDRSA-N 2 1 336.483 3.321 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165471856 1383300142 /nfs/dbraw/zinc/30/01/42/1383300142.db2.gz BYQUYSPCSJKPLM-GOSISDBHSA-N 2 1 337.552 3.316 20 0 EGADMP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165485124 1383300719 /nfs/dbraw/zinc/30/07/19/1383300719.db2.gz MRAYCMKYHOZQGI-IEBWSBKVSA-N 2 1 349.563 3.316 20 0 EGADMP O=C(NCCC1(C[NH2+]CC2CCC2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001165485484 1383301888 /nfs/dbraw/zinc/30/18/88/1383301888.db2.gz XISYZCJLTSBNCK-LJQANCHMSA-N 2 1 347.547 3.070 20 0 EGADMP O=C(NCCC1(C[NH2+]CC2CCCC2)CC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001165728956 1383334580 /nfs/dbraw/zinc/33/45/80/1383334580.db2.gz WQLTWNITTDKZTL-MOPGFXCFSA-N 2 1 347.547 3.070 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001165765127 1383342505 /nfs/dbraw/zinc/34/25/05/1383342505.db2.gz YZHMDGXMJHMTTA-LJQANCHMSA-N 2 1 347.547 3.237 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001165809934 1383349543 /nfs/dbraw/zinc/34/95/43/1383349543.db2.gz UWBFOBPUNDETBP-UHFFFAOYSA-N 2 1 349.563 3.483 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)C[N@H+]2CCC[C@@H]2C)cc1 ZINC001166627001 1383449897 /nfs/dbraw/zinc/44/98/97/1383449897.db2.gz NWSOIQYSJHZOCN-ZWKOTPCHSA-N 2 1 345.531 3.451 20 0 EGADMP CC(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001166801875 1383479248 /nfs/dbraw/zinc/47/92/48/1383479248.db2.gz CNAJKTQADZLJNZ-LJQANCHMSA-N 2 1 349.563 3.316 20 0 EGADMP CC[C@H](C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001328782123 1388860561 /nfs/dbraw/zinc/86/05/61/1388860561.db2.gz WYHPOJIKDFGUIQ-PXNSSMCTSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001167240741 1383573428 /nfs/dbraw/zinc/57/34/28/1383573428.db2.gz QZCHFQIUPZYNJY-UHFFFAOYSA-N 2 1 337.552 3.175 20 0 EGADMP Cc1cc[nH+]c2cc(N(Cc3ccccc3)C3(C[NH3+])COC3)ccc12 ZINC001167374416 1383614422 /nfs/dbraw/zinc/61/44/22/1383614422.db2.gz DCDSLRLOJLWCIE-UHFFFAOYSA-N 2 1 333.435 3.278 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385660 1383618808 /nfs/dbraw/zinc/61/88/08/1383618808.db2.gz MXCUMZLXBBRZBM-SFHVURJKSA-N 2 1 337.552 3.316 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385873 1383619018 /nfs/dbraw/zinc/61/90/18/1383619018.db2.gz WNCMJMQOBCSRSU-ZMBJWTFHSA-N 2 1 349.563 3.482 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CCCC)CC1 ZINC001167470894 1383642504 /nfs/dbraw/zinc/64/25/04/1383642504.db2.gz IFFCDJXQIWUBBY-UHFFFAOYSA-N 2 1 325.541 3.175 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC001167475950 1383644950 /nfs/dbraw/zinc/64/49/50/1383644950.db2.gz NWBIWQQMESQDEA-MSOLQXFVSA-N 2 1 348.535 3.319 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2ccccc2C)CC1 ZINC001167811922 1383745297 /nfs/dbraw/zinc/74/52/97/1383745297.db2.gz BRXSEZWXLKROKF-UHFFFAOYSA-N 2 1 345.531 3.103 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167940910 1383774176 /nfs/dbraw/zinc/77/41/76/1383774176.db2.gz YZTBJZKILSREJW-MLHJIOFPSA-N 2 1 330.472 3.133 20 0 EGADMP CC(C)CC(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167967589 1383781571 /nfs/dbraw/zinc/78/15/71/1383781571.db2.gz HRQZNTRCUHOLPT-IHWFROFDSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2=O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168006206 1383794876 /nfs/dbraw/zinc/79/48/76/1383794876.db2.gz MOEOLTZYMTWROR-OPVJXMOQSA-N 2 1 343.515 3.030 20 0 EGADMP Cc1nn(C)cc1C[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168011587 1383797074 /nfs/dbraw/zinc/79/70/74/1383797074.db2.gz PTRJYIZLHOWYPH-HOTGVXAUSA-N 2 1 326.488 3.260 20 0 EGADMP COC(=O)C12CC([NH2+][C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)(C1)C2 ZINC001168012403 1383797232 /nfs/dbraw/zinc/79/72/32/1383797232.db2.gz ZOXIEDYCKJLYNU-SFQNFUMRSA-N 2 1 342.483 3.113 20 0 EGADMP CCOC(=O)CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168018036 1383797567 /nfs/dbraw/zinc/79/75/67/1383797567.db2.gz YMLIYUWNTZXSCC-IZZQQSIFSA-N 2 1 332.488 3.361 20 0 EGADMP O=C(NCCC[NH2+]CCCC1CCCC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168031327 1383799862 /nfs/dbraw/zinc/79/98/62/1383799862.db2.gz ZBEMCQSCUPTORA-MOPGFXCFSA-N 2 1 335.536 3.070 20 0 EGADMP COCC[NH+](CCOC)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168041332 1383803445 /nfs/dbraw/zinc/80/34/45/1383803445.db2.gz RXVPHWQTXMCNRP-ROUUACIJSA-N 2 1 334.504 3.023 20 0 EGADMP CCOC(=O)[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168061553 1383806860 /nfs/dbraw/zinc/80/68/60/1383806860.db2.gz IRRRZGSTSZRXQI-PIKOESSRSA-N 2 1 344.499 3.313 20 0 EGADMP CCOC(=O)[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168061553 1383806863 /nfs/dbraw/zinc/80/68/63/1383806863.db2.gz IRRRZGSTSZRXQI-PIKOESSRSA-N 2 1 344.499 3.313 20 0 EGADMP CCOC(=O)[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168061553 1383806866 /nfs/dbraw/zinc/80/68/66/1383806866.db2.gz IRRRZGSTSZRXQI-PIKOESSRSA-N 2 1 344.499 3.313 20 0 EGADMP Fc1ccc([C@@H]2C[C@H]2Nc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1F ZINC001168065350 1383808035 /nfs/dbraw/zinc/80/80/35/1383808035.db2.gz BKDSMEFZJZEPFG-WMLDXEAASA-N 2 1 340.377 3.267 20 0 EGADMP COc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCO[C@H](C)C2)c1 ZINC001168101310 1383816930 /nfs/dbraw/zinc/81/69/30/1383816930.db2.gz KQZQIIXKDMVGQH-OWYHZJEWSA-N 2 1 332.488 3.335 20 0 EGADMP O=c1ccc(CNc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)c[nH]1 ZINC001168299210 1383866350 /nfs/dbraw/zinc/86/63/50/1383866350.db2.gz BGUUDKVVPCFGAU-INIZCTEOSA-N 2 1 337.427 3.064 20 0 EGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168313595 1383870882 /nfs/dbraw/zinc/87/08/82/1383870882.db2.gz DVXJWKYHJOQYSS-RYTJFDOTSA-N 2 1 339.524 3.189 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)CC1 ZINC001168321331 1383872318 /nfs/dbraw/zinc/87/23/18/1383872318.db2.gz FWUQKBYLNZXKTC-HZGZPEGRSA-N 2 1 343.515 3.435 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001168335657 1383876225 /nfs/dbraw/zinc/87/62/25/1383876225.db2.gz OLFRZISAHPNMOX-GOSISDBHSA-N 2 1 337.552 3.317 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001168363253 1383883724 /nfs/dbraw/zinc/88/37/24/1383883724.db2.gz AAGARCQTPGZKNP-UHFFFAOYSA-N 2 1 334.508 3.038 20 0 EGADMP [NH3+]C1(c2cccnc2)CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168415676 1383900111 /nfs/dbraw/zinc/90/01/11/1383900111.db2.gz ROQNRYGBALTZJA-IBGZPJMESA-N 2 1 325.431 3.028 20 0 EGADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CCO[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001168673500 1383966484 /nfs/dbraw/zinc/96/64/84/1383966484.db2.gz RPUACICXIIZLMV-ICSRJNTNSA-N 2 1 332.488 3.331 20 0 EGADMP COC(=O)C1(C)CCC([N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])CC1 ZINC001168762822 1383995117 /nfs/dbraw/zinc/99/51/17/1383995117.db2.gz XANPYLDZCCNMNF-VQSBYGRUSA-N 2 1 332.488 3.205 20 0 EGADMP CC[C@H](C)[C@H]1CCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001307485101 1383996651 /nfs/dbraw/zinc/99/66/51/1383996651.db2.gz CPRSNLHBDMJPQL-SXLOBPIMSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001307485102 1383997012 /nfs/dbraw/zinc/99/70/12/1383997012.db2.gz CPRSNLHBDMJPQL-YSIASYRMSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)C[N@@H+](Cc1cccc(Cl)c1)C[C@H](O)C[NH+](C)C(C)C ZINC001307956867 1384063511 /nfs/dbraw/zinc/06/35/11/1384063511.db2.gz AMMGAVPYHLNBJM-GOSISDBHSA-N 2 1 326.912 3.499 20 0 EGADMP CC(C)C[N@H+](Cc1cccc(Cl)c1)C[C@H](O)C[NH+](C)C(C)C ZINC001307956867 1384063516 /nfs/dbraw/zinc/06/35/16/1384063516.db2.gz AMMGAVPYHLNBJM-GOSISDBHSA-N 2 1 326.912 3.499 20 0 EGADMP CC(C)C[NH+](Cc1cccc(Cl)c1)C[C@H](O)C[N@H+](C)C(C)C ZINC001307956867 1384063520 /nfs/dbraw/zinc/06/35/20/1384063520.db2.gz AMMGAVPYHLNBJM-GOSISDBHSA-N 2 1 326.912 3.499 20 0 EGADMP CC(C)C[NH+](Cc1cccc(Cl)c1)C[C@H](O)C[N@@H+](C)C(C)C ZINC001307956867 1384063523 /nfs/dbraw/zinc/06/35/23/1384063523.db2.gz AMMGAVPYHLNBJM-GOSISDBHSA-N 2 1 326.912 3.499 20 0 EGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCOc1ccc(Cl)c(F)c1 ZINC001308091192 1384090785 /nfs/dbraw/zinc/09/07/85/1384090785.db2.gz YETCUKNAKMDSOT-CQSZACIVSA-N 2 1 349.837 3.464 20 0 EGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCOc1ccc(Cl)c(F)c1 ZINC001308091189 1384090794 /nfs/dbraw/zinc/09/07/94/1384090794.db2.gz YETCUKNAKMDSOT-AWEZNQCLSA-N 2 1 349.837 3.464 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOc1cccc(Br)c1)C2 ZINC001169081768 1384104104 /nfs/dbraw/zinc/10/41/04/1384104104.db2.gz WAOZUFWUFXQSOF-QKDCVEJESA-N 2 1 339.277 3.043 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccsc1Br)C2 ZINC001169123857 1384110699 /nfs/dbraw/zinc/11/06/99/1384110699.db2.gz NGBUMVVPLXLTPY-XYYAHUGASA-N 2 1 329.307 3.268 20 0 EGADMP COCCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC(F)(F)CC1 ZINC001169119614 1384109790 /nfs/dbraw/zinc/10/97/90/1384109790.db2.gz VSWLOZKOJJYJEA-PHZGNYQRSA-N 2 1 330.463 3.433 20 0 EGADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c[nH]1 ZINC001308282358 1384116203 /nfs/dbraw/zinc/11/62/03/1384116203.db2.gz JAYYOZFJLNJPKB-RHSMWYFYSA-N 2 1 347.484 3.036 20 0 EGADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c[nH]1 ZINC001308282358 1384116205 /nfs/dbraw/zinc/11/62/05/1384116205.db2.gz JAYYOZFJLNJPKB-RHSMWYFYSA-N 2 1 347.484 3.036 20 0 EGADMP CC[NH+]1CCC(CC2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC001169153614 1384116294 /nfs/dbraw/zinc/11/62/94/1384116294.db2.gz KKAUWIFTFZUUAN-AERCQKQUSA-N 3 1 333.564 3.446 20 0 EGADMP CC[NH+]1CCC(CC2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)N4C)CC2)CC1 ZINC001169153614 1384116296 /nfs/dbraw/zinc/11/62/96/1384116296.db2.gz KKAUWIFTFZUUAN-AERCQKQUSA-N 2 1 333.564 3.446 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC001169219444 1384124044 /nfs/dbraw/zinc/12/40/44/1384124044.db2.gz BCBPVYGWFQTBKH-RDJZCZTQSA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+]1CCC([NH2+]C2CCN(Cc3cc(C)cc(F)c3)CC2)CC1 ZINC001169238915 1384125892 /nfs/dbraw/zinc/12/58/92/1384125892.db2.gz ODKDDHURBULZPG-UHFFFAOYSA-N 2 1 333.495 3.172 20 0 EGADMP CC[NH+]1CCC([N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CC1 ZINC001169258097 1384128168 /nfs/dbraw/zinc/12/81/68/1384128168.db2.gz AYUOMPIWLDHLFY-SCTDSRPQSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+]1CCC([N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CC1 ZINC001169258097 1384128169 /nfs/dbraw/zinc/12/81/69/1384128169.db2.gz AYUOMPIWLDHLFY-SCTDSRPQSA-N 2 1 349.563 3.266 20 0 EGADMP CCOc1cccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC001308488602 1384128506 /nfs/dbraw/zinc/12/85/06/1384128506.db2.gz OSZALCMWZAXEJF-HKUYNNGSSA-N 2 1 339.483 3.338 20 0 EGADMP CCOc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC001308488602 1384128508 /nfs/dbraw/zinc/12/85/08/1384128508.db2.gz OSZALCMWZAXEJF-HKUYNNGSSA-N 2 1 339.483 3.338 20 0 EGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001169261184 1384129094 /nfs/dbraw/zinc/12/90/94/1384129094.db2.gz CFXWFEYLWWLGQI-DLBZAZTESA-N 2 1 339.524 3.238 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001169261184 1384129095 /nfs/dbraw/zinc/12/90/95/1384129095.db2.gz CFXWFEYLWWLGQI-DLBZAZTESA-N 2 1 339.524 3.238 20 0 EGADMP CCCN1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1=O ZINC001169353263 1384139141 /nfs/dbraw/zinc/13/91/41/1384139141.db2.gz MSBCDCSQLIPFKE-UHFFFAOYSA-N 2 1 343.515 3.117 20 0 EGADMP CCCN1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1=O ZINC001169353263 1384139143 /nfs/dbraw/zinc/13/91/43/1384139143.db2.gz MSBCDCSQLIPFKE-UHFFFAOYSA-N 2 1 343.515 3.117 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CN[C@@H]2CC[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001308740347 1384146358 /nfs/dbraw/zinc/14/63/58/1384146358.db2.gz IPAQCSYHRISJSU-HMXCVIKNSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CC[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001308740347 1384146359 /nfs/dbraw/zinc/14/63/59/1384146359.db2.gz IPAQCSYHRISJSU-HMXCVIKNSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001308740347 1384146361 /nfs/dbraw/zinc/14/63/61/1384146361.db2.gz IPAQCSYHRISJSU-HMXCVIKNSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC001308740347 1384146364 /nfs/dbraw/zinc/14/63/64/1384146364.db2.gz IPAQCSYHRISJSU-HMXCVIKNSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC001308740347 1384146366 /nfs/dbraw/zinc/14/63/66/1384146366.db2.gz IPAQCSYHRISJSU-HMXCVIKNSA-N 2 1 329.532 3.359 20 0 EGADMP Cc1cc(-n2ccc(C[NH3+])c2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001169716274 1384177454 /nfs/dbraw/zinc/17/74/54/1384177454.db2.gz GPDPCWCLAJKRDS-UHFFFAOYSA-N 2 1 332.451 3.198 20 0 EGADMP c1cc([NH2+]CC23CC[NH+](CC2)CC3)cc2c1NCC21CCOCC1 ZINC001169795990 1384186950 /nfs/dbraw/zinc/18/69/50/1384186950.db2.gz KBTJQAPDDFFFIY-UHFFFAOYSA-N 2 1 327.472 3.058 20 0 EGADMP C[C@@H](CCCC[NH2+]Cc1ccc(CF)cc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169807971 1384187661 /nfs/dbraw/zinc/18/76/61/1384187661.db2.gz AHNHKBTYAJBKRJ-LPHOPBHVSA-N 2 1 349.494 3.015 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)[C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169924555 1384199220 /nfs/dbraw/zinc/19/92/20/1384199220.db2.gz MWELSPYLKBISJX-VAMGGRTRSA-N 2 1 344.499 3.444 20 0 EGADMP COCCN1CCOC[C@@]2(CCC[N@H+]([C@@H](C)CCCC(C)C)C2)C1 ZINC001170078467 1384229973 /nfs/dbraw/zinc/22/99/73/1384229973.db2.gz SGMALQQQGRPMDL-PMACEKPBSA-N 2 1 340.552 3.262 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001170222000 1384268623 /nfs/dbraw/zinc/26/86/23/1384268623.db2.gz HQHJQPKFYZKNRK-QGZVFWFLSA-N 2 1 347.547 3.483 20 0 EGADMP CC[NH+](CC)CCN1CC[NH+]([C@H](C)Cc2ccccc2Cl)CC1 ZINC001170267272 1384279041 /nfs/dbraw/zinc/27/90/41/1384279041.db2.gz VNCQLGJATWZNNF-QGZVFWFLSA-N 2 1 337.939 3.230 20 0 EGADMP CC(C)C[C@@]1(C)CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001170481893 1384327614 /nfs/dbraw/zinc/32/76/14/1384327614.db2.gz XTKXBZRFYAEWDB-PZJWPPBQSA-N 2 1 345.531 3.306 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170527492 1384335218 /nfs/dbraw/zinc/33/52/18/1384335218.db2.gz YKHIFJBTDFPQPJ-NXWXRZEISA-N 2 1 348.462 3.239 20 0 EGADMP CC1(C)[C@@H]2C[C@@H]([NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)C[C@@H]21 ZINC001170754161 1384380350 /nfs/dbraw/zinc/38/03/50/1384380350.db2.gz UBFZNZZNFPYUER-LDLYASANSA-N 2 1 344.499 3.381 20 0 EGADMP CC1(C)[C@@H]2C[C@@H]([NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)C[C@@H]21 ZINC001170754161 1384380353 /nfs/dbraw/zinc/38/03/53/1384380353.db2.gz UBFZNZZNFPYUER-LDLYASANSA-N 2 1 344.499 3.381 20 0 EGADMP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861337 1384400978 /nfs/dbraw/zinc/40/09/78/1384400978.db2.gz CQJVBUQMOMIMRJ-BRWVUGGUSA-N 2 1 325.541 3.027 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1 ZINC001170878797 1384403859 /nfs/dbraw/zinc/40/38/59/1384403859.db2.gz REBSHMLZJZETTD-DLBZAZTESA-N 2 1 348.535 3.461 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC001313445463 1384424098 /nfs/dbraw/zinc/42/40/98/1384424098.db2.gz WDCHMJAPVFJWNN-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCCCC1 ZINC001316606005 1384474268 /nfs/dbraw/zinc/47/42/68/1384474268.db2.gz MEXQUMBCDYDCMN-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCCCC1 ZINC001316606005 1384474270 /nfs/dbraw/zinc/47/42/70/1384474270.db2.gz MEXQUMBCDYDCMN-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001316606005 1384474272 /nfs/dbraw/zinc/47/42/72/1384474272.db2.gz MEXQUMBCDYDCMN-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001171238896 1384477101 /nfs/dbraw/zinc/47/71/01/1384477101.db2.gz ZBYSRTODFRQSIO-RTBURBONSA-N 2 1 339.568 3.275 20 0 EGADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171248414 1384478345 /nfs/dbraw/zinc/47/83/45/1384478345.db2.gz UOZSGXNTJRKUDT-PKOBYXMFSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171254460 1384479689 /nfs/dbraw/zinc/47/96/89/1384479689.db2.gz RMBZJJJVKJQUGG-QZTJIDSGSA-N 2 1 339.568 3.418 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171254889 1384479792 /nfs/dbraw/zinc/47/97/92/1384479792.db2.gz VPNMNVXYXXVJTF-IAGOWNOFSA-N 2 1 334.508 3.071 20 0 EGADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171411957 1384516375 /nfs/dbraw/zinc/51/63/75/1384516375.db2.gz PWRHWIIHCHNDHC-INIZCTEOSA-N 3 1 335.511 3.158 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171439084 1384524146 /nfs/dbraw/zinc/52/41/46/1384524146.db2.gz WBSPYIRXABMEJC-RBUKOAKNSA-N 2 1 346.490 3.258 20 0 EGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171439084 1384524148 /nfs/dbraw/zinc/52/41/48/1384524148.db2.gz WBSPYIRXABMEJC-RBUKOAKNSA-N 2 1 346.490 3.258 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171439084 1384524153 /nfs/dbraw/zinc/52/41/53/1384524153.db2.gz WBSPYIRXABMEJC-RBUKOAKNSA-N 2 1 346.490 3.258 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171546568 1384558912 /nfs/dbraw/zinc/55/89/12/1384558912.db2.gz LHOADPNECRRTNA-AEFFLSMTSA-N 2 1 337.552 3.172 20 0 EGADMP C[C@@H](COCc1ccccc1)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554623 1384560894 /nfs/dbraw/zinc/56/08/94/1384560894.db2.gz KYOUHYIOXLOOSF-LJQANCHMSA-N 2 1 339.483 3.447 20 0 EGADMP C[NH+]1C(C)(C)CC([NH2+][C@H]2CC(=O)N(Cc3ccccc3)C2)CC1(C)C ZINC001171620152 1384582503 /nfs/dbraw/zinc/58/25/03/1384582503.db2.gz VMTZLWCBJGRAGY-KRWDZBQOSA-N 2 1 343.515 3.029 20 0 EGADMP Cc1cc(O[C@@H]2CCC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)ncn1 ZINC001171640638 1384589515 /nfs/dbraw/zinc/58/95/15/1384589515.db2.gz HVYBUKDNAMFYMK-QGZVFWFLSA-N 2 1 346.519 3.280 20 0 EGADMP C[C@@H]1C[C@H](n2nc(-c3ccncc3)cc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171733983 1384619471 /nfs/dbraw/zinc/61/94/71/1384619471.db2.gz KVMKHJFKESZHGB-UZLBHIALSA-N 2 1 347.466 3.239 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[NH+](C)CC23CCCC3)C[N@H+]1Cc1ccccc1 ZINC001171767546 1384630636 /nfs/dbraw/zinc/63/06/36/1384630636.db2.gz PAUDEAYFKGRAQD-UYAOXDASSA-N 2 1 327.516 3.210 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[N@H+](C)CC23CCCC3)C[NH+]1Cc1ccccc1 ZINC001171767546 1384630641 /nfs/dbraw/zinc/63/06/41/1384630641.db2.gz PAUDEAYFKGRAQD-UYAOXDASSA-N 2 1 327.516 3.210 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[N@@H+](C)CC23CCCC3)C[NH+]1Cc1ccccc1 ZINC001171767546 1384630653 /nfs/dbraw/zinc/63/06/53/1384630653.db2.gz PAUDEAYFKGRAQD-UYAOXDASSA-N 2 1 327.516 3.210 20 0 EGADMP CCOC(=O)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171969269 1384698343 /nfs/dbraw/zinc/69/83/43/1384698343.db2.gz USCJFSTWZSWPTC-SFHVURJKSA-N 2 1 344.499 3.363 20 0 EGADMP CN1CC[C@H]2C[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171988046 1384705254 /nfs/dbraw/zinc/70/52/54/1384705254.db2.gz ODUWRYREXXRGHS-XUVXKRRUSA-N 2 1 327.516 3.066 20 0 EGADMP CN1CC[C@H]2C[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171988046 1384705259 /nfs/dbraw/zinc/70/52/59/1384705259.db2.gz ODUWRYREXXRGHS-XUVXKRRUSA-N 2 1 327.516 3.066 20 0 EGADMP CN1CC[C@H]2C[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171988046 1384705263 /nfs/dbraw/zinc/70/52/63/1384705263.db2.gz ODUWRYREXXRGHS-XUVXKRRUSA-N 2 1 327.516 3.066 20 0 EGADMP CCOC(=O)[C@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986984 1384706687 /nfs/dbraw/zinc/70/66/87/1384706687.db2.gz OCBXUXMPUBCQHV-OALUTQOASA-N 2 1 344.499 3.315 20 0 EGADMP CCOC(=O)[C@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986984 1384706688 /nfs/dbraw/zinc/70/66/88/1384706688.db2.gz OCBXUXMPUBCQHV-OALUTQOASA-N 2 1 344.499 3.315 20 0 EGADMP CCOC(=O)[C@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986984 1384706691 /nfs/dbraw/zinc/70/66/91/1384706691.db2.gz OCBXUXMPUBCQHV-OALUTQOASA-N 2 1 344.499 3.315 20 0 EGADMP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1O ZINC001172067128 1384716070 /nfs/dbraw/zinc/71/60/70/1384716070.db2.gz AWZYAOOKVJXIMC-RQXATKFSSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1O ZINC001172067128 1384716074 /nfs/dbraw/zinc/71/60/74/1384716074.db2.gz AWZYAOOKVJXIMC-RQXATKFSSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1O ZINC001172067128 1384716080 /nfs/dbraw/zinc/71/60/80/1384716080.db2.gz AWZYAOOKVJXIMC-RQXATKFSSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1O ZINC001172067128 1384716089 /nfs/dbraw/zinc/71/60/89/1384716089.db2.gz AWZYAOOKVJXIMC-RQXATKFSSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@]1(O)C[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172066358 1384717248 /nfs/dbraw/zinc/71/72/48/1384717248.db2.gz WDDIBCCMWSWDPU-WARAAXDBSA-N 2 1 328.500 3.323 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001316944940 1384717681 /nfs/dbraw/zinc/71/76/81/1384717681.db2.gz WFETUXXJFUZZRE-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001316944940 1384717685 /nfs/dbraw/zinc/71/76/85/1384717685.db2.gz WFETUXXJFUZZRE-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001316944940 1384717688 /nfs/dbraw/zinc/71/76/88/1384717688.db2.gz WFETUXXJFUZZRE-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001316948354 1384719299 /nfs/dbraw/zinc/71/92/99/1384719299.db2.gz RHHLFWHARPQDLE-HXUWFJFHSA-N 2 1 345.531 3.175 20 0 EGADMP C[NH+](C)[C@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172080842 1384722719 /nfs/dbraw/zinc/72/27/19/1384722719.db2.gz YAYIPOXZASHBLY-JSXRDJHFSA-N 2 1 327.516 3.208 20 0 EGADMP COc1ccc2c(c1)c(CC[NH3+])cn2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098182 1384725669 /nfs/dbraw/zinc/72/56/69/1384725669.db2.gz BJVBILOGSZJMBA-BJWYYQGGSA-N 2 1 327.472 3.339 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)C2 ZINC001172105940 1384728385 /nfs/dbraw/zinc/72/83/85/1384728385.db2.gz LKUZHKOXLSFWQG-PHZGNYQRSA-N 2 1 339.524 3.142 20 0 EGADMP CN(CCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC001172108186 1384728449 /nfs/dbraw/zinc/72/84/49/1384728449.db2.gz RJFWUUBPQXCTMV-OSYLJGHBSA-N 2 1 339.524 3.238 20 0 EGADMP Cc1ccnc(C2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCOCC2)c1 ZINC001172109576 1384729103 /nfs/dbraw/zinc/72/91/03/1384729103.db2.gz FJFNJYQCQXHINF-LDLYASANSA-N 2 1 343.515 3.043 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(C[C@H](OCC4CC4)CO3)CC1)C2 ZINC001172119386 1384732363 /nfs/dbraw/zinc/73/23/63/1384732363.db2.gz UTZGQOLEXUKJED-YRPNKDGESA-N 2 1 348.531 3.052 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(C[C@H](OCC4CC4)CO3)CC1)C2 ZINC001172119386 1384732364 /nfs/dbraw/zinc/73/23/64/1384732364.db2.gz UTZGQOLEXUKJED-YRPNKDGESA-N 2 1 348.531 3.052 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3[C@@H](CCN3Cc3ccccc3)C1)C2 ZINC001172123920 1384733850 /nfs/dbraw/zinc/73/38/50/1384733850.db2.gz HQWJDOGIHCNNHL-ITBHCLRTSA-N 2 1 339.527 3.208 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@H]3[C@@H](CCN3Cc3ccccc3)C1)C2 ZINC001172123920 1384733851 /nfs/dbraw/zinc/73/38/51/1384733851.db2.gz HQWJDOGIHCNNHL-ITBHCLRTSA-N 2 1 339.527 3.208 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@H]3[C@@H](CCN3Cc3ccccc3)C1)C2 ZINC001172123920 1384733854 /nfs/dbraw/zinc/73/38/54/1384733854.db2.gz HQWJDOGIHCNNHL-ITBHCLRTSA-N 2 1 339.527 3.208 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@@H]3CCC[C@@H]3[C@H]1C(=O)OC(C)(C)C)C2 ZINC001172126147 1384736711 /nfs/dbraw/zinc/73/67/11/1384736711.db2.gz SPFIGZZIJYCOMG-XEZGLNCPSA-N 2 1 348.531 3.444 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@@H]3CCC[C@@H]3[C@H]1C(=O)OC(C)(C)C)C2 ZINC001172126147 1384736713 /nfs/dbraw/zinc/73/67/13/1384736713.db2.gz SPFIGZZIJYCOMG-XEZGLNCPSA-N 2 1 348.531 3.444 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@@H]3CCC[C@@H]3[C@H]1C(=O)OC(C)(C)C)C2 ZINC001172126147 1384736718 /nfs/dbraw/zinc/73/67/18/1384736718.db2.gz SPFIGZZIJYCOMG-XEZGLNCPSA-N 2 1 348.531 3.444 20 0 EGADMP CC(=O)OC[C@H]1CCC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172130419 1384738038 /nfs/dbraw/zinc/73/80/38/1384738038.db2.gz PBFIOCKENPIRHD-VNTMZGSJSA-N 2 1 348.531 3.447 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1CC[NH+](CCCC2CCC2)C1)C1CCCCC1 ZINC001316981902 1384739487 /nfs/dbraw/zinc/73/94/87/1384739487.db2.gz RFLCCZBPOFYDGP-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)N[C@H]1CC[N@H+](CCCC2CCC2)C1)C1CCCCC1 ZINC001316981902 1384739491 /nfs/dbraw/zinc/73/94/91/1384739491.db2.gz RFLCCZBPOFYDGP-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1)C1CCCCC1 ZINC001316981902 1384739494 /nfs/dbraw/zinc/73/94/94/1384739494.db2.gz RFLCCZBPOFYDGP-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001316983055 1384740509 /nfs/dbraw/zinc/74/05/09/1384740509.db2.gz NOBCZCWLFNAYHL-WMLDXEAASA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001316983055 1384740511 /nfs/dbraw/zinc/74/05/11/1384740511.db2.gz NOBCZCWLFNAYHL-WMLDXEAASA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001316983055 1384740513 /nfs/dbraw/zinc/74/05/13/1384740513.db2.gz NOBCZCWLFNAYHL-WMLDXEAASA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001316983055 1384740521 /nfs/dbraw/zinc/74/05/21/1384740521.db2.gz NOBCZCWLFNAYHL-WMLDXEAASA-N 2 1 349.906 3.076 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3CC[NH+](C4C[C@H]5CC[C@@H](C4)O5)C[C@@H]3C2)cc1 ZINC001172227253 1384752160 /nfs/dbraw/zinc/75/21/60/1384752160.db2.gz SCBAFLNFYXSELN-RZQVSUQPSA-N 2 1 326.484 3.150 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3CC[N@@H+](C4C[C@H]5CC[C@@H](C4)O5)C[C@@H]3C2)cc1 ZINC001172227253 1384752162 /nfs/dbraw/zinc/75/21/62/1384752162.db2.gz SCBAFLNFYXSELN-RZQVSUQPSA-N 2 1 326.484 3.150 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@H](c2ccccc2OC)C2CC2)CC1 ZINC001172248616 1384755965 /nfs/dbraw/zinc/75/59/65/1384755965.db2.gz CJXRHCWDXROAGI-FQEVSTJZSA-N 2 1 332.488 3.237 20 0 EGADMP COCCC[NH+]1CCC([NH+]2CCC(OC)(c3ccccc3)CC2)CC1 ZINC001172253605 1384756507 /nfs/dbraw/zinc/75/65/07/1384756507.db2.gz WMKIVWZVONCJJB-UHFFFAOYSA-N 2 1 346.515 3.125 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001172255013 1384756908 /nfs/dbraw/zinc/75/69/08/1384756908.db2.gz FQUUNYYLIQRDMT-HXUWFJFHSA-N 2 1 332.488 3.031 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001172255013 1384756911 /nfs/dbraw/zinc/75/69/11/1384756911.db2.gz FQUUNYYLIQRDMT-HXUWFJFHSA-N 2 1 332.488 3.031 20 0 EGADMP CC(C)COCC[C@@H](C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172468047 1384799073 /nfs/dbraw/zinc/79/90/73/1384799073.db2.gz VEDHYZNORZAGHT-QZTJIDSGSA-N 2 1 340.552 3.449 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC[C@@H](C[N@@H+](C)CCCC(C)(C)C)C1 ZINC001317038550 1384810426 /nfs/dbraw/zinc/81/04/26/1384810426.db2.gz KKCSSDMGNZSKAB-SFHVURJKSA-N 2 1 339.568 3.325 20 0 EGADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172668452 1384830879 /nfs/dbraw/zinc/83/08/79/1384830879.db2.gz YKSONKNDGYFCOT-UFYCRDLUSA-N 2 1 343.515 3.158 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001172794729 1384853926 /nfs/dbraw/zinc/85/39/26/1384853926.db2.gz GATMESQDFFATMT-YDZRNGNQSA-N 2 1 336.520 3.447 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001172794729 1384853928 /nfs/dbraw/zinc/85/39/28/1384853928.db2.gz GATMESQDFFATMT-YDZRNGNQSA-N 2 1 336.520 3.447 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001172794729 1384853931 /nfs/dbraw/zinc/85/39/31/1384853931.db2.gz GATMESQDFFATMT-YDZRNGNQSA-N 2 1 336.520 3.447 20 0 EGADMP CC(C)(C)OC(=O)C[NH+]1CCC(n2ccc3ccc(C[NH3+])cc32)CC1 ZINC001172882922 1384872631 /nfs/dbraw/zinc/87/26/31/1384872631.db2.gz LZTFXUYTXMFDOE-UHFFFAOYSA-N 2 1 343.471 3.079 20 0 EGADMP CO[C@@H]1CCC[C@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC001172941116 1384884623 /nfs/dbraw/zinc/88/46/23/1384884623.db2.gz DDVSDNZXTRVYJC-LEWJYISDSA-N 2 1 328.500 3.467 20 0 EGADMP CO[C@@H]1CCC[C@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC001172941116 1384884625 /nfs/dbraw/zinc/88/46/25/1384884625.db2.gz DDVSDNZXTRVYJC-LEWJYISDSA-N 2 1 328.500 3.467 20 0 EGADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001172969789 1384893085 /nfs/dbraw/zinc/89/30/85/1384893085.db2.gz DHMKAWVOUVQSCH-CQSZACIVSA-N 2 1 336.480 3.168 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172972229 1384893906 /nfs/dbraw/zinc/89/39/06/1384893906.db2.gz UBJWIKUIGUVEIR-MRXNPFEDSA-N 2 1 329.529 3.296 20 0 EGADMP CC[NH+]1CCC([N@H+](C)[C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173067535 1384905453 /nfs/dbraw/zinc/90/54/53/1384905453.db2.gz BLMZWZZUCIJWQE-RDJZCZTQSA-N 2 1 339.524 3.191 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173067535 1384905454 /nfs/dbraw/zinc/90/54/54/1384905454.db2.gz BLMZWZZUCIJWQE-RDJZCZTQSA-N 2 1 339.524 3.191 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@](O)(C(F)(F)F)[C@H](C)C2)CC1 ZINC001173108328 1384916036 /nfs/dbraw/zinc/91/60/36/1384916036.db2.gz BQPDLGIBDIKPHO-PRLABOORSA-N 2 1 336.442 3.275 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@]3(C2)CCCCN3C(C)=O)CC1 ZINC001173111308 1384917083 /nfs/dbraw/zinc/91/70/83/1384917083.db2.gz BFDWLPKDVBLBJB-SOAGJPPSSA-N 2 1 335.536 3.116 20 0 EGADMP [NH3+]C1(c2ccc(F)cc2)CC[NH+]([C@@H]2CCc3ncsc3C2)CC1 ZINC001173123933 1384918982 /nfs/dbraw/zinc/91/89/82/1384918982.db2.gz BEASPWDMFOBDNQ-OAHLLOKOSA-N 2 1 331.460 3.090 20 0 EGADMP CCSC[C@@H](C)[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001173293630 1384952685 /nfs/dbraw/zinc/95/26/85/1384952685.db2.gz GGFQFJDAVJEHOK-BHIYHBOVSA-N 2 1 339.593 3.056 20 0 EGADMP Cc1ccc[nH+]c1N(C1Cc2cc(F)c(F)cc2C1)C1CC[NH2+]CC1 ZINC001173480819 1384978274 /nfs/dbraw/zinc/97/82/74/1384978274.db2.gz CDNLHOWRAGXCCN-UHFFFAOYSA-N 2 1 343.421 3.394 20 0 EGADMP CCOC(=O)[C@@H]1CC12CCC([N@H+]1CCCC[C@H](CCC[NH3+])C1)CC2 ZINC001173613980 1384988608 /nfs/dbraw/zinc/98/86/08/1384988608.db2.gz MLFMJVFMODQGIJ-BHASAWDCSA-N 2 1 336.520 3.339 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@H]([NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)C1 ZINC001173637989 1384993886 /nfs/dbraw/zinc/99/38/86/1384993886.db2.gz DQLMLQZBTDZHMI-IRXDYDNUSA-N 2 1 345.487 3.051 20 0 EGADMP C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH2+]CC1CCCCC1 ZINC001317255104 1385025527 /nfs/dbraw/zinc/02/55/27/1385025527.db2.gz LGYKSSVDBJCPTJ-KRWDZBQOSA-N 2 1 337.552 3.316 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@H](CC)c1ccc(F)cc1 ZINC001317448348 1385148673 /nfs/dbraw/zinc/14/86/73/1385148673.db2.gz KKSBEDXGSBRHEA-RTBURBONSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)[C@H](CC)c1ccc(F)cc1 ZINC001317448348 1385148674 /nfs/dbraw/zinc/14/86/74/1385148674.db2.gz KKSBEDXGSBRHEA-RTBURBONSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)[C@H](CC)c1ccc(F)cc1 ZINC001317448348 1385148676 /nfs/dbraw/zinc/14/86/76/1385148676.db2.gz KKSBEDXGSBRHEA-RTBURBONSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]C/C=C/Cl)C1 ZINC001174881180 1385164087 /nfs/dbraw/zinc/16/40/87/1385164087.db2.gz IUEHDMDHYLYVNX-RRUDCUFVSA-N 2 1 343.943 3.126 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC=C(C)C)C1 ZINC001174882881 1385164937 /nfs/dbraw/zinc/16/49/37/1385164937.db2.gz XOPJIEBZRVMDCR-RBUKOAKNSA-N 2 1 337.552 3.339 20 0 EGADMP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174905905 1385168427 /nfs/dbraw/zinc/16/84/27/1385168427.db2.gz PLEBLFAKRTWDFE-HBFSDRIKSA-N 2 1 349.563 3.482 20 0 EGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C)CC2 ZINC001174929217 1385171508 /nfs/dbraw/zinc/17/15/08/1385171508.db2.gz PBWCZUCPSKECIP-WMZOPIPTSA-N 2 1 348.535 3.065 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@H](CC)c1ccccc1 ZINC001317511970 1385223311 /nfs/dbraw/zinc/22/33/11/1385223311.db2.gz GHALTFFXTVPPTH-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1[C@H](CC)c1ccccc1 ZINC001317511970 1385223316 /nfs/dbraw/zinc/22/33/16/1385223316.db2.gz GHALTFFXTVPPTH-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1[C@H](CC)c1ccccc1 ZINC001317511970 1385223318 /nfs/dbraw/zinc/22/33/18/1385223318.db2.gz GHALTFFXTVPPTH-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175256953 1385230837 /nfs/dbraw/zinc/23/08/37/1385230837.db2.gz RCPUXKRQMDLXGT-ROUUACIJSA-N 2 1 325.541 3.316 20 0 EGADMP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175262406 1385233773 /nfs/dbraw/zinc/23/37/73/1385233773.db2.gz GFRGISPVBUQRAV-ZWKOTPCHSA-N 2 1 339.568 3.419 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@H](C)c1ccc(F)cc1 ZINC001317543585 1385286433 /nfs/dbraw/zinc/28/64/33/1385286433.db2.gz XXDUAVBCGBHFLO-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[C@H](C)c1ccc(F)cc1 ZINC001317543585 1385286435 /nfs/dbraw/zinc/28/64/35/1385286435.db2.gz XXDUAVBCGBHFLO-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[C@H](C)c1ccc(F)cc1 ZINC001317543585 1385286439 /nfs/dbraw/zinc/28/64/39/1385286439.db2.gz XXDUAVBCGBHFLO-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH2+]CC[C@@H](C)F ZINC001175528774 1385321777 /nfs/dbraw/zinc/32/17/77/1385321777.db2.gz LLIGSBZLPMAUAT-CVEARBPZSA-N 2 1 340.487 3.019 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175529345 1385322493 /nfs/dbraw/zinc/32/24/93/1385322493.db2.gz UGXSCUZGSNTYLZ-QGZVFWFLSA-N 2 1 334.508 3.237 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCCF ZINC001175738793 1385390883 /nfs/dbraw/zinc/39/08/83/1385390883.db2.gz MDXZYAJNYUKEKJ-QGZVFWFLSA-N 2 1 331.520 3.123 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001317682716 1385392345 /nfs/dbraw/zinc/39/23/45/1385392345.db2.gz QTMGEBHONCQKOE-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]C[C@@H](C)CC(C)C ZINC001176024522 1385463902 /nfs/dbraw/zinc/46/39/02/1385463902.db2.gz PEVATYLTQSLVDC-ROUUACIJSA-N 2 1 327.557 3.275 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001176024739 1385464352 /nfs/dbraw/zinc/46/43/52/1385464352.db2.gz RENHJCARIMFRKH-QGZVFWFLSA-N 2 1 325.541 3.173 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCC1CCCC1 ZINC001176025199 1385465131 /nfs/dbraw/zinc/46/51/31/1385465131.db2.gz ZBZPSRKZFULLJL-KRWDZBQOSA-N 2 1 325.541 3.173 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176165403 1385500618 /nfs/dbraw/zinc/50/06/18/1385500618.db2.gz KPELKDJVZWAFJY-WMZOPIPTSA-N 2 1 325.541 3.029 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001317955429 1385585464 /nfs/dbraw/zinc/58/54/64/1385585464.db2.gz ORERBYGRZBUYMG-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001317972238 1385592441 /nfs/dbraw/zinc/59/24/41/1385592441.db2.gz AGCRGOGGBGLWLT-MNEFBYGVSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+]([C@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001317972238 1385592443 /nfs/dbraw/zinc/59/24/43/1385592443.db2.gz AGCRGOGGBGLWLT-MNEFBYGVSA-N 2 1 349.494 3.054 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CC(C)(C)C ZINC001318214543 1385629532 /nfs/dbraw/zinc/62/95/32/1385629532.db2.gz GRMSHEXMHLDOJZ-WDSOQIARSA-N 2 1 343.515 3.011 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001318214543 1385629534 /nfs/dbraw/zinc/62/95/34/1385629534.db2.gz GRMSHEXMHLDOJZ-WDSOQIARSA-N 2 1 343.515 3.011 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001318214543 1385629535 /nfs/dbraw/zinc/62/95/35/1385629535.db2.gz GRMSHEXMHLDOJZ-WDSOQIARSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001318301293 1385644714 /nfs/dbraw/zinc/64/47/14/1385644714.db2.gz OSWBNYZIINPBQC-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1c(C)cccc1C ZINC001698611944 1406241519 /nfs/dbraw/zinc/24/15/19/1406241519.db2.gz ASZNDAPOJXJMKO-GOSISDBHSA-N 2 1 347.547 3.266 20 0 EGADMP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176820071 1385713796 /nfs/dbraw/zinc/71/37/96/1385713796.db2.gz INAMCKABUTWNDK-OALUTQOASA-N 2 1 347.547 3.429 20 0 EGADMP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176820071 1385713801 /nfs/dbraw/zinc/71/38/01/1385713801.db2.gz INAMCKABUTWNDK-OALUTQOASA-N 2 1 347.547 3.429 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001176991991 1385765698 /nfs/dbraw/zinc/76/56/98/1385765698.db2.gz GVHRJWRQKNSHKP-HKUYNNGSSA-N 2 1 331.504 3.026 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CCCC1CCCC1)c1ccccc1 ZINC001177016213 1385773022 /nfs/dbraw/zinc/77/30/22/1385773022.db2.gz FWGCXFPFVHWJPW-FQEVSTJZSA-N 2 1 345.531 3.356 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001177016789 1385773646 /nfs/dbraw/zinc/77/36/46/1385773646.db2.gz RHJGWOWSPQADHZ-MJGOQNOKSA-N 2 1 333.520 3.067 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001177357106 1385928161 /nfs/dbraw/zinc/92/81/61/1385928161.db2.gz WBFRNAPOCYNFIO-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001177415709 1385948412 /nfs/dbraw/zinc/94/84/12/1385948412.db2.gz IZBWIYGVOWTBLP-UHFFFAOYSA-N 2 1 339.568 3.373 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N(CCC[NH2+]CCC2CC2)CC2CCCC2)C1 ZINC001177467238 1385967702 /nfs/dbraw/zinc/96/77/02/1385967702.db2.gz XOPODZOTVPRBIS-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001319404190 1386105881 /nfs/dbraw/zinc/10/58/81/1386105881.db2.gz BALBFPHLRSQYKY-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001319532671 1386164679 /nfs/dbraw/zinc/16/46/79/1386164679.db2.gz QYDLLCIEQCPJQZ-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001178471868 1386227165 /nfs/dbraw/zinc/22/71/65/1386227165.db2.gz MGDRXYZWGUVUEV-SFHVURJKSA-N 2 1 325.541 3.316 20 0 EGADMP CC(C)CCC[NH2+]CCCCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001178702859 1386284072 /nfs/dbraw/zinc/28/40/72/1386284072.db2.gz XQTMGXXKVURGGT-UHFFFAOYSA-N 2 1 325.541 3.173 20 0 EGADMP CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707713 1386285339 /nfs/dbraw/zinc/28/53/39/1386285339.db2.gz NSCUUPQABXEWRE-LNLFQRSKSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001319810707 1386308989 /nfs/dbraw/zinc/30/89/89/1386308989.db2.gz SCMBVXPEBNVDES-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178810352 1386313739 /nfs/dbraw/zinc/31/37/39/1386313739.db2.gz CUQPKDBKVKQLAR-RTBURBONSA-N 2 1 335.536 3.236 20 0 EGADMP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001178832792 1386321958 /nfs/dbraw/zinc/32/19/58/1386321958.db2.gz KZXFVQLQAZNLLG-UYAOXDASSA-N 2 1 345.531 3.498 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001178889860 1386339392 /nfs/dbraw/zinc/33/93/92/1386339392.db2.gz AHKPJTDEHWWCPB-FALGWBQUSA-N 2 1 344.503 3.086 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001178921005 1386349579 /nfs/dbraw/zinc/34/95/79/1386349579.db2.gz QQMRVLMYVKWUQQ-IBGZPJMESA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]C/C=C/Cl ZINC001178921070 1386349926 /nfs/dbraw/zinc/34/99/26/1386349926.db2.gz VHCLDQUHXFFXPW-SYJIQKIWSA-N 2 1 343.943 3.126 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCCCCC[NH2+]CCCC1CCCC1 ZINC001179029153 1386381305 /nfs/dbraw/zinc/38/13/05/1386381305.db2.gz BONMBLOAEOBICR-UHFFFAOYSA-N 2 1 348.535 3.428 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCCCCC[NH2+]CCC1CCCCC1 ZINC001179029780 1386382315 /nfs/dbraw/zinc/38/23/15/1386382315.db2.gz SORUMUHDGWWMCO-UHFFFAOYSA-N 2 1 348.535 3.428 20 0 EGADMP FC1(F)Oc2ccc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cc2O1 ZINC001179266732 1386435396 /nfs/dbraw/zinc/43/53/96/1386435396.db2.gz WTFDLGBJTYLDHC-OAHLLOKOSA-N 2 1 338.398 3.220 20 0 EGADMP FC1(F)Oc2ccc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cc2O1 ZINC001179266732 1386435399 /nfs/dbraw/zinc/43/53/99/1386435399.db2.gz WTFDLGBJTYLDHC-OAHLLOKOSA-N 2 1 338.398 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CCCCCC1 ZINC001320007826 1386448664 /nfs/dbraw/zinc/44/86/64/1386448664.db2.gz XKPSXGHNZSLHJQ-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CC1CCCCCC1 ZINC001320007826 1386448669 /nfs/dbraw/zinc/44/86/69/1386448669.db2.gz XKPSXGHNZSLHJQ-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC1CCCCCC1 ZINC001320007826 1386448670 /nfs/dbraw/zinc/44/86/70/1386448670.db2.gz XKPSXGHNZSLHJQ-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179410059 1386478604 /nfs/dbraw/zinc/47/86/04/1386478604.db2.gz YMGNDVGYYFXKGR-XSLAGTTESA-N 2 1 337.552 3.122 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001179546581 1386511253 /nfs/dbraw/zinc/51/12/53/1386511253.db2.gz WYTMBSOFSVTXGT-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCCCCCC[NH2+]CCC(C)C)C2 ZINC001179585474 1386524568 /nfs/dbraw/zinc/52/45/68/1386524568.db2.gz IPMWUCWZAVKKBY-GOSISDBHSA-N 2 1 348.535 3.066 20 0 EGADMP CCCCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001179590241 1386524737 /nfs/dbraw/zinc/52/47/37/1386524737.db2.gz FIIIJSHRECCQJP-ROUUACIJSA-N 2 1 325.541 3.031 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001320169275 1386545974 /nfs/dbraw/zinc/54/59/74/1386545974.db2.gz CNHCBICJOQFVQI-RBUKOAKNSA-N 2 1 337.552 3.173 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCCCF)[C@@H]1C ZINC001179748908 1386571294 /nfs/dbraw/zinc/57/12/94/1386571294.db2.gz PKRNLLRHFQMNGR-ROUUACIJSA-N 2 1 343.531 3.217 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179792369 1386587616 /nfs/dbraw/zinc/58/76/16/1386587616.db2.gz IEBGMCPPLFRDLQ-MOPGFXCFSA-N 2 1 337.552 3.460 20 0 EGADMP CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001179926442 1386633358 /nfs/dbraw/zinc/63/33/58/1386633358.db2.gz YMVRFFJUIRGUIU-MGPUTAFESA-N 2 1 331.479 3.340 20 0 EGADMP CN(C)c1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001179926442 1386633360 /nfs/dbraw/zinc/63/33/60/1386633360.db2.gz YMVRFFJUIRGUIU-MGPUTAFESA-N 2 1 331.479 3.340 20 0 EGADMP CN(C)c1ccc(F)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001179926442 1386633364 /nfs/dbraw/zinc/63/33/64/1386633364.db2.gz YMVRFFJUIRGUIU-MGPUTAFESA-N 2 1 331.479 3.340 20 0 EGADMP CN(C)c1ccc(F)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001179926442 1386633366 /nfs/dbraw/zinc/63/33/66/1386633366.db2.gz YMVRFFJUIRGUIU-MGPUTAFESA-N 2 1 331.479 3.340 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccccc2)[C@@H]1C ZINC001179978966 1386656596 /nfs/dbraw/zinc/65/65/96/1386656596.db2.gz NWDQNIKUNZSZPB-IHPCNDPISA-N 2 1 345.531 3.449 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)[C@@H]1C ZINC001179983358 1386657901 /nfs/dbraw/zinc/65/79/01/1386657901.db2.gz XQRRNLCJFKQSFD-GJYPPUQNSA-N 2 1 349.494 3.198 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccc(C)cc1 ZINC001179988451 1386660059 /nfs/dbraw/zinc/66/00/59/1386660059.db2.gz HSKBJZAUVKUFNV-UHFFFAOYSA-N 2 1 333.520 3.103 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]Cc1ccc(C)cc1C ZINC001180123276 1386704109 /nfs/dbraw/zinc/70/41/09/1386704109.db2.gz DZIYRUCCVZIZHK-UHFFFAOYSA-N 2 1 347.547 3.411 20 0 EGADMP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1F ZINC001180264989 1386750089 /nfs/dbraw/zinc/75/00/89/1386750089.db2.gz MDQYFLOCINFJEY-DLBZAZTESA-N 2 1 349.494 3.105 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc(C(=O)OC)c2)c1 ZINC001321089072 1386806694 /nfs/dbraw/zinc/80/66/94/1386806694.db2.gz JEEDBAXQXORFRW-UHFFFAOYSA-N 2 1 326.440 3.215 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001321719646 1386964846 /nfs/dbraw/zinc/96/48/46/1386964846.db2.gz AOLLGYWNPVNNPB-CQSZACIVSA-N 2 1 347.547 3.165 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)NCC[NH+](CC)CC)c1ccccc1 ZINC001182231584 1387127270 /nfs/dbraw/zinc/12/72/70/1387127270.db2.gz KHORTANFHSNIPF-IBGZPJMESA-N 2 1 333.520 3.308 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C(=O)N1CC[NH+]2CCC1CC2)c1ccccc1 ZINC001182234494 1387127903 /nfs/dbraw/zinc/12/79/03/1387127903.db2.gz MVXSPMDAGXQZSB-HXUWFJFHSA-N 2 1 343.515 3.156 20 0 EGADMP C[NH+](C)C1(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC001182597545 1387193946 /nfs/dbraw/zinc/19/39/46/1387193946.db2.gz PJVRJUKDGSKGKO-UHFFFAOYSA-N 2 1 329.488 3.484 20 0 EGADMP C[NH+](C)C1(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC001182597545 1387193948 /nfs/dbraw/zinc/19/39/48/1387193948.db2.gz PJVRJUKDGSKGKO-UHFFFAOYSA-N 2 1 329.488 3.484 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1ccc2ccccc2c1 ZINC001329601712 1389177883 /nfs/dbraw/zinc/17/78/83/1389177883.db2.gz VVWKTIFLTXYUHZ-KRWDZBQOSA-N 2 1 341.499 3.118 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)Cc1ccc2ccccc2c1 ZINC001329601712 1389177885 /nfs/dbraw/zinc/17/78/85/1389177885.db2.gz VVWKTIFLTXYUHZ-KRWDZBQOSA-N 2 1 341.499 3.118 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC001329601712 1389177888 /nfs/dbraw/zinc/17/78/88/1389177888.db2.gz VVWKTIFLTXYUHZ-KRWDZBQOSA-N 2 1 341.499 3.118 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC001329836825 1389234046 /nfs/dbraw/zinc/23/40/46/1389234046.db2.gz YKJQDTINWKECMB-UHFFFAOYSA-N 2 1 347.532 3.469 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC001329836825 1389234048 /nfs/dbraw/zinc/23/40/48/1389234048.db2.gz YKJQDTINWKECMB-UHFFFAOYSA-N 2 1 347.532 3.469 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc3c[nH+]cn3c2C)c1 ZINC001337336883 1389309498 /nfs/dbraw/zinc/30/94/98/1389309498.db2.gz PQORNNRMNRSONU-UHFFFAOYSA-N 2 1 336.439 3.024 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1Cc1cccc(C)c1)C(C)C ZINC001338887506 1389804817 /nfs/dbraw/zinc/80/48/17/1389804817.db2.gz KMHSMLPDYISLME-FQEVSTJZSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1)C(C)C ZINC001338887506 1389804824 /nfs/dbraw/zinc/80/48/24/1389804824.db2.gz KMHSMLPDYISLME-FQEVSTJZSA-N 2 1 345.531 3.196 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001331633309 1389838858 /nfs/dbraw/zinc/83/88/58/1389838858.db2.gz VKIGIUMGEUEKCN-KBPBESRZSA-N 2 1 348.878 3.043 20 0 EGADMP CC[C@]1(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]C1 ZINC001332093410 1389979756 /nfs/dbraw/zinc/97/97/56/1389979756.db2.gz JUSRMXWJAJGOKO-UWJYYQICSA-N 2 1 343.515 3.067 20 0 EGADMP Cc1ccccc1C[NH2+]C[C@H](NC(=O)C[N@H+](C)C1CCC1)C(C)(C)C ZINC001332809418 1390191960 /nfs/dbraw/zinc/19/19/60/1390191960.db2.gz YEVBLMBEAXNWIU-IBGZPJMESA-N 2 1 345.531 3.100 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)C1 ZINC001340514728 1390303162 /nfs/dbraw/zinc/30/31/62/1390303162.db2.gz LPRNXFGVBFQAPA-IRXDYDNUSA-N 2 1 329.488 3.196 20 0 EGADMP CC[C@H](C)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001340866038 1390388922 /nfs/dbraw/zinc/38/89/22/1390388922.db2.gz WVTVLARBEKBXDQ-CUDHKJQZSA-N 2 1 345.531 3.261 20 0 EGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001341341062 1390473980 /nfs/dbraw/zinc/47/39/80/1390473980.db2.gz FMOMKUWFEAQNBO-SQNIBIBYSA-N 2 1 334.504 3.487 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC001341553643 1390501262 /nfs/dbraw/zinc/50/12/62/1390501262.db2.gz QYWNGIRARDUGMZ-DBVUQKKJSA-N 2 1 343.515 3.052 20 0 EGADMP CCN(CC)c1ncc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)s1 ZINC001335133861 1390646873 /nfs/dbraw/zinc/64/68/73/1390646873.db2.gz LLANUISDDBBEJI-JYJNAYRXSA-N 2 1 336.549 3.151 20 0 EGADMP COc1cc(F)c(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1OC ZINC001335151140 1390649635 /nfs/dbraw/zinc/64/96/35/1390649635.db2.gz TVTRMCJGWOCQHZ-DZKIICNBSA-N 2 1 336.451 3.005 20 0 EGADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001335582546 1390705979 /nfs/dbraw/zinc/70/59/79/1390705979.db2.gz MAUAGWJFRZQCQX-SQWLQELKSA-N 2 1 346.906 3.389 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CN3CC[C@H](C4CCCCC4)C3=O)C[C@H]2C1 ZINC001345108840 1390838039 /nfs/dbraw/zinc/83/80/39/1390838039.db2.gz OSTRWVVPVVJTGU-UAFMIMERSA-N 2 1 347.547 3.035 20 0 EGADMP CC(C)c1noc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC001347136038 1391008873 /nfs/dbraw/zinc/00/88/73/1391008873.db2.gz DKCWTNNPZCJOTP-WMZOPIPTSA-N 2 1 342.487 3.236 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccccc3N3CCCC3)C2)CC1 ZINC001347233002 1391035967 /nfs/dbraw/zinc/03/59/67/1391035967.db2.gz DAJDVIXOLVQAPO-IBGZPJMESA-N 2 1 327.516 3.451 20 0 EGADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC001347643135 1391105104 /nfs/dbraw/zinc/10/51/04/1391105104.db2.gz PPGXZHMCKGOPRD-DOTOQJQBSA-N 2 1 339.439 3.154 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3N[C@H]2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC001350925723 1391560315 /nfs/dbraw/zinc/56/03/15/1391560315.db2.gz DCHGCDUEJNMPET-IWWKYQTOSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3CC[C@@H](C2)C3N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001350925723 1391560317 /nfs/dbraw/zinc/56/03/17/1391560317.db2.gz DCHGCDUEJNMPET-IWWKYQTOSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3CC[C@@H](C2)C3N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001350925723 1391560320 /nfs/dbraw/zinc/56/03/20/1391560320.db2.gz DCHGCDUEJNMPET-IWWKYQTOSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC001350925723 1391560322 /nfs/dbraw/zinc/56/03/22/1391560322.db2.gz DCHGCDUEJNMPET-IWWKYQTOSA-N 3 1 339.527 3.113 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC001350925723 1391560325 /nfs/dbraw/zinc/56/03/25/1391560325.db2.gz DCHGCDUEJNMPET-IWWKYQTOSA-N 3 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001350925723 1391560328 /nfs/dbraw/zinc/56/03/28/1391560328.db2.gz DCHGCDUEJNMPET-IWWKYQTOSA-N 3 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001350925723 1391560332 /nfs/dbraw/zinc/56/03/32/1391560332.db2.gz DCHGCDUEJNMPET-IWWKYQTOSA-N 3 1 339.527 3.113 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N(C)C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC001479894642 1392463718 /nfs/dbraw/zinc/46/37/18/1392463718.db2.gz YMQLNLKXBFXRFI-FQEVSTJZSA-N 2 1 343.515 3.012 20 0 EGADMP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001479904377 1392471435 /nfs/dbraw/zinc/47/14/35/1392471435.db2.gz GOMQECXJFKRMEZ-RTRPANQVSA-N 2 1 349.544 3.360 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001479904377 1392471437 /nfs/dbraw/zinc/47/14/37/1392471437.db2.gz GOMQECXJFKRMEZ-RTRPANQVSA-N 2 1 349.544 3.360 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)ccc2C)C1 ZINC001479913615 1392481541 /nfs/dbraw/zinc/48/15/41/1392481541.db2.gz MADCNTDFUCFXBT-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001479913615 1392481542 /nfs/dbraw/zinc/48/15/42/1392481542.db2.gz MADCNTDFUCFXBT-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001479913615 1392481543 /nfs/dbraw/zinc/48/15/43/1392481543.db2.gz MADCNTDFUCFXBT-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCCC2CCC2)C1)[NH+](C)C ZINC001480738868 1392904661 /nfs/dbraw/zinc/90/46/61/1392904661.db2.gz ISBPUFLLFGXBHT-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCCC2CCC2)C1)[NH+](C)C ZINC001480738872 1392905188 /nfs/dbraw/zinc/90/51/88/1392905188.db2.gz ISBPUFLLFGXBHT-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001480775277 1392925994 /nfs/dbraw/zinc/92/59/94/1392925994.db2.gz CNNYTIWBZYTADA-FUHWJXTLSA-N 2 1 337.552 3.027 20 0 EGADMP Cc1cccc(C)c1C[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001480791870 1392936225 /nfs/dbraw/zinc/93/62/25/1392936225.db2.gz FDEHZGREVLEEMH-GOSISDBHSA-N 2 1 347.547 3.266 20 0 EGADMP CC[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(C2CCCC2)cc1)[NH+](C)C ZINC001480880199 1392996229 /nfs/dbraw/zinc/99/62/29/1392996229.db2.gz RUJITIJACMENMS-HXUWFJFHSA-N 2 1 345.531 3.232 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[N@H+](C)CC1CCC(C)(C)CC1 ZINC001480918871 1393020022 /nfs/dbraw/zinc/02/00/22/1393020022.db2.gz MXUILPJBUVFAPD-UHFFFAOYSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001480918871 1393020024 /nfs/dbraw/zinc/02/00/24/1393020024.db2.gz MXUILPJBUVFAPD-UHFFFAOYSA-N 2 1 348.535 3.271 20 0 EGADMP C[C@H](C(=O)NCC[N@H+](C)[C@H](C)c1cccc(F)c1)[NH+]1CCCCCC1 ZINC001480920786 1393021052 /nfs/dbraw/zinc/02/10/52/1393021052.db2.gz XIKWNSVYAOLQEY-IAGOWNOFSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)[C@H](C)c1cccc(F)c1 ZINC001481008213 1393084937 /nfs/dbraw/zinc/08/49/37/1393084937.db2.gz IRXXSOOIVMPLJX-QGZVFWFLSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCCC1 ZINC001481681638 1394446342 /nfs/dbraw/zinc/44/63/42/1394446342.db2.gz NVPPHHGWDLJBSY-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCCC1 ZINC001481681638 1394446346 /nfs/dbraw/zinc/44/63/46/1394446346.db2.gz NVPPHHGWDLJBSY-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCCCC1 ZINC001481681638 1394446347 /nfs/dbraw/zinc/44/63/47/1394446347.db2.gz NVPPHHGWDLJBSY-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1F ZINC001491269901 1394498710 /nfs/dbraw/zinc/49/87/10/1394498710.db2.gz QQRCANDPDFUTNJ-DLBZAZTESA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+]CCC1CCCCCC1 ZINC001481878490 1394572926 /nfs/dbraw/zinc/57/29/26/1394572926.db2.gz IZNVUMPHZYIKFS-SFHVURJKSA-N 2 1 334.508 3.036 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2 ZINC001482071169 1394734615 /nfs/dbraw/zinc/73/46/15/1394734615.db2.gz BGVURQHGKGUXIN-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001483932555 1395150189 /nfs/dbraw/zinc/15/01/89/1395150189.db2.gz JZMIZEBRPUGXGE-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001484142588 1395278935 /nfs/dbraw/zinc/27/89/35/1395278935.db2.gz WGNWESBIUXHPOR-SFHVURJKSA-N 2 1 337.552 3.127 20 0 EGADMP CC(C)CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001484393272 1395364332 /nfs/dbraw/zinc/36/43/32/1395364332.db2.gz SMDCWLIXBKHHLS-GUDVDZBRSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)C[N@H+]1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001484471187 1395405179 /nfs/dbraw/zinc/40/51/79/1395405179.db2.gz JXIQLPRAHAKGFI-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCC[NH+]2C)c(C)c1 ZINC001484747096 1395501482 /nfs/dbraw/zinc/50/14/82/1395501482.db2.gz MVXSPKRDPPVXEP-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1ccc(C[NH+](C)CCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)c(C)c1 ZINC001484747096 1395501486 /nfs/dbraw/zinc/50/14/86/1395501486.db2.gz MVXSPKRDPPVXEP-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1ccc(C[NH+](C)CCCN(C)C(=O)[C@@H]2CCCC[N@H+]2C)c(C)c1 ZINC001484747096 1395501488 /nfs/dbraw/zinc/50/14/88/1395501488.db2.gz MVXSPKRDPPVXEP-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001698990132 1406778169 /nfs/dbraw/zinc/77/81/69/1406778169.db2.gz WSDRSVJEBSZUAM-SFHVURJKSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001485531897 1396002747 /nfs/dbraw/zinc/00/27/47/1396002747.db2.gz BGHVVLLAMCXNOK-HZPDHXFCSA-N 2 1 349.494 3.055 20 0 EGADMP CCc1ccccc1C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001503645538 1396261155 /nfs/dbraw/zinc/26/11/55/1396261155.db2.gz DFBLPLCMNMAINA-PXNSSMCTSA-N 2 1 345.531 3.108 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001494863086 1396501295 /nfs/dbraw/zinc/50/12/95/1396501295.db2.gz LBIZMBJTHIUPCK-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001494863086 1396501298 /nfs/dbraw/zinc/50/12/98/1396501298.db2.gz LBIZMBJTHIUPCK-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001494863086 1396501302 /nfs/dbraw/zinc/50/13/02/1396501302.db2.gz LBIZMBJTHIUPCK-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1cccc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001496154009 1396615224 /nfs/dbraw/zinc/61/52/24/1396615224.db2.gz LTFMGFINFKIHKD-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001690428960 1404555052 /nfs/dbraw/zinc/55/50/52/1404555052.db2.gz HEWOVDULHTXFPW-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001690606396 1404649883 /nfs/dbraw/zinc/64/98/83/1404649883.db2.gz MEKORFVQUDNLPC-ROUUACIJSA-N 2 1 345.531 3.497 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1 ZINC001690713901 1404696175 /nfs/dbraw/zinc/69/61/75/1404696175.db2.gz ZDZZIMMGRFBPBM-PXNSSMCTSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001690784855 1404732314 /nfs/dbraw/zinc/73/23/14/1404732314.db2.gz NPRFERPHSZXVJN-WLTZFMEZSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@H](C(=O)NCC[N@@H+](C)[C@H](C)c1ccccc1F)[NH+]1CCCCCC1 ZINC001690981850 1404893977 /nfs/dbraw/zinc/89/39/77/1404893977.db2.gz HOULPMDTEKATIU-IAGOWNOFSA-N 2 1 349.494 3.199 20 0 EGADMP C[C@H](C(=O)NCC[N@H+](C)[C@H](C)c1ccccc1F)[NH+]1CCCCCC1 ZINC001690981850 1404893982 /nfs/dbraw/zinc/89/39/82/1404893982.db2.gz HOULPMDTEKATIU-IAGOWNOFSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1ccccc1C(C)C ZINC001691020261 1404933850 /nfs/dbraw/zinc/93/38/50/1404933850.db2.gz QCVSIUHODLZUKM-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccccc1C(C)C ZINC001691020261 1404933854 /nfs/dbraw/zinc/93/38/54/1404933854.db2.gz QCVSIUHODLZUKM-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccccc1C(C)C ZINC001691020261 1404933859 /nfs/dbraw/zinc/93/38/59/1404933859.db2.gz QCVSIUHODLZUKM-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)Cc1ccccc1F ZINC001691198500 1405138509 /nfs/dbraw/zinc/13/85/09/1405138509.db2.gz WXDWHLCJQXOLSG-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP C[NH+]1CCC(C(=O)NCC[N@@H+](CCC2CCCCCC2)C2CC2)CC1 ZINC001691222570 1405163349 /nfs/dbraw/zinc/16/33/49/1405163349.db2.gz AFPJMGFSVOHIJR-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CCC(C[N@@H+](C)CCC3CC3)CC2)CC1 ZINC001692026255 1405744277 /nfs/dbraw/zinc/74/42/77/1405744277.db2.gz DPWVJIZMPYCONF-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCC3CCCC3)CC[C@@H]2C1 ZINC001692083520 1405764887 /nfs/dbraw/zinc/76/48/87/1405764887.db2.gz WTWWLZZDWCOFOT-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)CC[C@@H]2C1 ZINC001692083520 1405764890 /nfs/dbraw/zinc/76/48/90/1405764890.db2.gz WTWWLZZDWCOFOT-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)CC[C@@H]2C1 ZINC001692083520 1405764892 /nfs/dbraw/zinc/76/48/92/1405764892.db2.gz WTWWLZZDWCOFOT-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001692098231 1405771042 /nfs/dbraw/zinc/77/10/42/1405771042.db2.gz JYEOUOWFPAFKNN-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C2)c1 ZINC001692335663 1405956474 /nfs/dbraw/zinc/95/64/74/1405956474.db2.gz SIVBMSDHSFUMOY-KRWDZBQOSA-N 2 1 345.531 3.082 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)C1)C1CCCCC1 ZINC001698547786 1406145413 /nfs/dbraw/zinc/14/54/13/1406145413.db2.gz ZMVNGLNOLDBEOZ-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CCC(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1)C1CCCCC1 ZINC001698547786 1406145416 /nfs/dbraw/zinc/14/54/16/1406145416.db2.gz ZMVNGLNOLDBEOZ-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CCC(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)C1CCCCC1 ZINC001698547786 1406145420 /nfs/dbraw/zinc/14/54/20/1406145420.db2.gz ZMVNGLNOLDBEOZ-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1)[NH+](C)C ZINC001698585941 1406201974 /nfs/dbraw/zinc/20/19/74/1406201974.db2.gz NTSZVSAMXCCGND-PMACEKPBSA-N 2 1 345.531 3.066 20 0 EGADMP CCN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001698586422 1406204443 /nfs/dbraw/zinc/20/44/43/1406204443.db2.gz CMWXHAOLZULTAD-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001698588223 1406207866 /nfs/dbraw/zinc/20/78/66/1406207866.db2.gz NZWOJONZTUGJPN-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCN(C(=O)CC[N@H+](C)CC)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001698588223 1406207871 /nfs/dbraw/zinc/20/78/71/1406207871.db2.gz NZWOJONZTUGJPN-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCN(C(=O)CC[N@@H+](C)CC)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001698588223 1406207872 /nfs/dbraw/zinc/20/78/72/1406207872.db2.gz NZWOJONZTUGJPN-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC1CCC(C)(C)CC1)[NH+](C)C ZINC001699462722 1412819576 /nfs/dbraw/zinc/81/95/76/1412819576.db2.gz AVJBTLYFOFQYPH-FUHWJXTLSA-N 2 1 339.568 3.226 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)NC[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001699648115 1413030060 /nfs/dbraw/zinc/03/00/60/1413030060.db2.gz WLBQSUPBMCHNSS-IBGZPJMESA-N 2 1 335.536 3.023 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)C[C@@H]1C ZINC001699742475 1413153510 /nfs/dbraw/zinc/15/35/10/1413153510.db2.gz ZHJZKFFLKSIURF-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@]1(C)CC[N@H+](CCC2CCCCCC2)C1 ZINC001699825508 1413251018 /nfs/dbraw/zinc/25/10/18/1413251018.db2.gz MYYOPTIYBHINRF-HXUWFJFHSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@]1(C)CC[N@@H+](CCC2CCCCCC2)C1 ZINC001699825508 1413251021 /nfs/dbraw/zinc/25/10/21/1413251021.db2.gz MYYOPTIYBHINRF-HXUWFJFHSA-N 2 1 346.519 3.133 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001699946834 1413390832 /nfs/dbraw/zinc/39/08/32/1413390832.db2.gz APLCOGCVGYKOTL-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001700197452 1413638732 /nfs/dbraw/zinc/63/87/32/1413638732.db2.gz KPUXHELCFAXGHX-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001700197452 1413638735 /nfs/dbraw/zinc/63/87/35/1413638735.db2.gz KPUXHELCFAXGHX-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001700197452 1413638737 /nfs/dbraw/zinc/63/87/37/1413638737.db2.gz KPUXHELCFAXGHX-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@H](C)[NH+]3CCCCCC3)cc2C1 ZINC001700252146 1413698411 /nfs/dbraw/zinc/69/84/11/1413698411.db2.gz AOAPJDAVNUPPEH-KRWDZBQOSA-N 2 1 343.515 3.293 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001700365044 1413886452 /nfs/dbraw/zinc/88/64/52/1413886452.db2.gz XIUFSYNPSGJGDA-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC([C@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001700556135 1414226271 /nfs/dbraw/zinc/22/62/71/1414226271.db2.gz XSDWQUUDUXYHSX-KXBFYZLASA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)[C@@H]1C ZINC001700826740 1414482298 /nfs/dbraw/zinc/48/22/98/1414482298.db2.gz UAQYIIZHHFVVIF-AZUAARDMSA-N 2 1 345.531 3.033 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001733012689 1429131777 /nfs/dbraw/zinc/13/17/77/1429131777.db2.gz BBHLYSUZBFGJJL-IRXDYDNUSA-N 2 1 342.487 3.170 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1C ZINC001713002084 1417555429 /nfs/dbraw/zinc/55/54/29/1417555429.db2.gz GYCABWHGVQCDDK-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@H]2CCCC[N@H+]2CCC2CCCC2)CC1 ZINC001713256430 1417856214 /nfs/dbraw/zinc/85/62/14/1417856214.db2.gz GNACCDLINVFICV-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001713278056 1417901032 /nfs/dbraw/zinc/90/10/32/1417901032.db2.gz QJJDIZMCSANNHW-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001713461663 1418119361 /nfs/dbraw/zinc/11/93/61/1418119361.db2.gz JJVASMUIUOYZPT-GOSISDBHSA-N 2 1 345.531 3.308 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713838124 1418635651 /nfs/dbraw/zinc/63/56/51/1418635651.db2.gz ZOBPXKCIPKLGMB-XLIONFOSSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001713838124 1418635653 /nfs/dbraw/zinc/63/56/53/1418635653.db2.gz ZOBPXKCIPKLGMB-XLIONFOSSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2cc(C)ccc2C)C1 ZINC001714022859 1418806422 /nfs/dbraw/zinc/80/64/22/1418806422.db2.gz WZQZLEPXNSSEBB-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001714022859 1418806423 /nfs/dbraw/zinc/80/64/23/1418806423.db2.gz WZQZLEPXNSSEBB-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001714022859 1418806424 /nfs/dbraw/zinc/80/64/24/1418806424.db2.gz WZQZLEPXNSSEBB-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@@H+](CCCC(C)(C)C)C2)CCC1 ZINC001714035340 1418823656 /nfs/dbraw/zinc/82/36/56/1418823656.db2.gz JGSTZZIIRTVFKL-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001714313786 1419094500 /nfs/dbraw/zinc/09/45/00/1419094500.db2.gz SFYWDRGGFIGCFO-WGSAOQKQSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)C[NH2+]CC1CCCCC1 ZINC001714453454 1419185715 /nfs/dbraw/zinc/18/57/15/1419185715.db2.gz NCORENJDLMZSMY-XLIONFOSSA-N 2 1 345.531 3.212 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC2(C[NH+]([C@H](C)c3ccccc3)C2)CC1 ZINC001714523596 1419249942 /nfs/dbraw/zinc/24/99/42/1419249942.db2.gz OHIFOTLHAFNXKU-GOSISDBHSA-N 2 1 343.515 3.014 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H](C)c1cccc(F)c1 ZINC001714583434 1419323907 /nfs/dbraw/zinc/32/39/07/1419323907.db2.gz HPGXGYBBCBTHEY-QFBILLFUSA-N 2 1 349.494 3.198 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@@H](C)c1cccc(F)c1 ZINC001714583434 1419323910 /nfs/dbraw/zinc/32/39/10/1419323910.db2.gz HPGXGYBBCBTHEY-QFBILLFUSA-N 2 1 349.494 3.198 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)[C@@H](C)c1cccc(F)c1 ZINC001714583434 1419323912 /nfs/dbraw/zinc/32/39/12/1419323912.db2.gz HPGXGYBBCBTHEY-QFBILLFUSA-N 2 1 349.494 3.198 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@@H](C)c1ccccc1 ZINC001714584155 1419325469 /nfs/dbraw/zinc/32/54/69/1419325469.db2.gz PRUKWOOLULNGTJ-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)[C@@H](C)c1ccccc1 ZINC001714584155 1419325471 /nfs/dbraw/zinc/32/54/71/1419325471.db2.gz PRUKWOOLULNGTJ-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)[C@@H](C)c1ccccc1 ZINC001714584155 1419325472 /nfs/dbraw/zinc/32/54/72/1419325472.db2.gz PRUKWOOLULNGTJ-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP C[NH+]1CCC(CC(=O)NCC[C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001714882441 1419619801 /nfs/dbraw/zinc/61/98/01/1419619801.db2.gz OSBIEMLYRJHXMY-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001714922784 1419675665 /nfs/dbraw/zinc/67/56/65/1419675665.db2.gz CKRGZIIAZVWOHX-IAGOWNOFSA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001715005230 1419735217 /nfs/dbraw/zinc/73/52/17/1419735217.db2.gz YQGICAPQGFHDOK-AHRSYUTCSA-N 2 1 345.531 3.402 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001715033371 1419766757 /nfs/dbraw/zinc/76/67/57/1419766757.db2.gz VYOHJQDWVRZPMV-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCC2CCCCC2)CC[N@H+]1C ZINC001715212359 1419944522 /nfs/dbraw/zinc/94/45/22/1419944522.db2.gz CEHQSWFCLVRSBV-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C[NH2+]CC1CCCCC1 ZINC001715233115 1419964682 /nfs/dbraw/zinc/96/46/82/1419964682.db2.gz HXSNCMVRDWSELA-YLJYHZDGSA-N 2 1 349.563 3.316 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001715375264 1420071326 /nfs/dbraw/zinc/07/13/26/1420071326.db2.gz LTKYNIYXRXBYOW-ZIAGYGMSSA-N 2 1 348.878 3.043 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001715521323 1420207599 /nfs/dbraw/zinc/20/75/99/1420207599.db2.gz PCXBTUYGINNDEL-ICSRJNTNSA-N 2 1 345.531 3.319 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001715521323 1420207602 /nfs/dbraw/zinc/20/76/02/1420207602.db2.gz PCXBTUYGINNDEL-ICSRJNTNSA-N 2 1 345.531 3.319 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001715521323 1420207606 /nfs/dbraw/zinc/20/76/06/1420207606.db2.gz PCXBTUYGINNDEL-ICSRJNTNSA-N 2 1 345.531 3.319 20 0 EGADMP CC[C@@H]([NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC001716464420 1420677101 /nfs/dbraw/zinc/67/71/01/1420677101.db2.gz PKVJEZDJJAZXNH-SUMWQHHRSA-N 2 1 348.878 3.091 20 0 EGADMP C[C@@H](C[N@@H+](C)CCC1CCCC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001716508785 1420740637 /nfs/dbraw/zinc/74/06/37/1420740637.db2.gz PUYPNFDROYLQRC-KRWDZBQOSA-N 2 1 345.531 3.379 20 0 EGADMP C[C@H](c1ccccc1F)[N@H+](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001716508845 1420740731 /nfs/dbraw/zinc/74/07/31/1420740731.db2.gz RCNMVDKKXKDMKS-DLBZAZTESA-N 2 1 349.494 3.199 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC([N@H+](CC(C)C)CC2CC2)CC1 ZINC001716714965 1420870151 /nfs/dbraw/zinc/87/01/51/1420870151.db2.gz GQVVTPLSNTWFQR-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC([N@@H+](CC(C)C)CC2CC2)CC1 ZINC001716714965 1420870152 /nfs/dbraw/zinc/87/01/52/1420870152.db2.gz GQVVTPLSNTWFQR-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CCC(CC(=O)NCC[N@@H+](CC2CC2)C2CCCCCC2)CC1 ZINC001733278904 1429447641 /nfs/dbraw/zinc/44/76/41/1429447641.db2.gz MGOWJNFCPCNRNF-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1cccc([C@H](C)[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001717487699 1421424818 /nfs/dbraw/zinc/42/48/18/1421424818.db2.gz LDHNZQAQGGWVDA-MSOLQXFVSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001717487699 1421424821 /nfs/dbraw/zinc/42/48/21/1421424821.db2.gz LDHNZQAQGGWVDA-MSOLQXFVSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001717487699 1421424822 /nfs/dbraw/zinc/42/48/22/1421424822.db2.gz LDHNZQAQGGWVDA-MSOLQXFVSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)cc1C ZINC001717741507 1421605123 /nfs/dbraw/zinc/60/51/23/1421605123.db2.gz SOENUXJARSNLLI-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C[C@@H]1C ZINC001733336373 1429521505 /nfs/dbraw/zinc/52/15/05/1429521505.db2.gz TYCFQPBWXJSEEO-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001724845506 1425196397 /nfs/dbraw/zinc/19/63/97/1425196397.db2.gz QNHZWGVGCDKMRL-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)cc(C)c2)CC1 ZINC001724845506 1425196398 /nfs/dbraw/zinc/19/63/98/1425196398.db2.gz QNHZWGVGCDKMRL-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2)CC1 ZINC001724845506 1425196400 /nfs/dbraw/zinc/19/64/00/1425196400.db2.gz QNHZWGVGCDKMRL-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001724868826 1425251887 /nfs/dbraw/zinc/25/18/87/1425251887.db2.gz RECNNRXRODJSTE-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1c2ccccc2CC[N@@H+]1CCC(C)C)[NH+](C)C ZINC001725012153 1425427934 /nfs/dbraw/zinc/42/79/34/1425427934.db2.gz FYHDPFWYMVCZAH-UXHICEINSA-N 2 1 345.531 3.088 20 0 EGADMP C[N@@H+](CCCC1CCC1)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001725045616 1425475200 /nfs/dbraw/zinc/47/52/00/1425475200.db2.gz XNGKNBBVJZNMFA-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@H](C)c1ccccc1Cl ZINC001725188940 1425728893 /nfs/dbraw/zinc/72/88/93/1425728893.db2.gz KXGVTWGVMPTGJD-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)[C@H](C)c1ccccc1Cl ZINC001725188940 1425728896 /nfs/dbraw/zinc/72/88/96/1425728896.db2.gz KXGVTWGVMPTGJD-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC001725188940 1425728897 /nfs/dbraw/zinc/72/88/97/1425728897.db2.gz KXGVTWGVMPTGJD-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC([N@@H+](C)CCCC3CCCC3)CC2)CC1 ZINC001725426193 1426086776 /nfs/dbraw/zinc/08/67/76/1426086776.db2.gz YEUNNWADVJXYLW-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2c(C)cccc2C)[C@@H]1C ZINC001725627496 1426295011 /nfs/dbraw/zinc/29/50/11/1426295011.db2.gz LNDCFRPHDMBWGW-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2c(C)cccc2C)[C@@H]1C ZINC001725627496 1426295016 /nfs/dbraw/zinc/29/50/16/1426295016.db2.gz LNDCFRPHDMBWGW-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(C)cccc2C)[C@@H]1C ZINC001725627496 1426295018 /nfs/dbraw/zinc/29/50/18/1426295018.db2.gz LNDCFRPHDMBWGW-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)[NH2+]C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C(C)(C)C ZINC001725744006 1426420805 /nfs/dbraw/zinc/42/08/05/1426420805.db2.gz JPGDETYBSWERKU-QGZVFWFLSA-N 2 1 325.541 3.170 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C[NH2+]CC1CCCCCC1)C(C)(C)C ZINC001725755923 1426434859 /nfs/dbraw/zinc/43/48/59/1426434859.db2.gz LMVRFDLXLVZMNN-SFHVURJKSA-N 2 1 348.535 3.282 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001731354860 1427295301 /nfs/dbraw/zinc/29/53/01/1427295301.db2.gz CCEPKPSVCFBKQA-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001731354860 1427295307 /nfs/dbraw/zinc/29/53/07/1427295307.db2.gz CCEPKPSVCFBKQA-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001731354860 1427295308 /nfs/dbraw/zinc/29/53/08/1427295308.db2.gz CCEPKPSVCFBKQA-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001731628599 1427679558 /nfs/dbraw/zinc/67/95/58/1427679558.db2.gz LVKXLUXYLGKYQA-IAGOWNOFSA-N 2 1 341.499 3.337 20 0 EGADMP C[C@H](c1ccccc1Cl)[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001731873832 1428134468 /nfs/dbraw/zinc/13/44/68/1428134468.db2.gz FZOHBGSKVQLSRA-KDOFPFPSSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](c1ccccc1Cl)[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001731873832 1428134471 /nfs/dbraw/zinc/13/44/71/1428134471.db2.gz FZOHBGSKVQLSRA-KDOFPFPSSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](c1ccccc1Cl)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001731873832 1428134473 /nfs/dbraw/zinc/13/44/73/1428134473.db2.gz FZOHBGSKVQLSRA-KDOFPFPSSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](c1ccccc1Cl)[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001731873832 1428134478 /nfs/dbraw/zinc/13/44/78/1428134478.db2.gz FZOHBGSKVQLSRA-KDOFPFPSSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1C[NH+](CCC2CCCCCC2)C1 ZINC001734117047 1437899003 /nfs/dbraw/zinc/89/90/03/1437899003.db2.gz LKCOEUUUTULGSA-QGZVFWFLSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC2(C1)CCC[N@H+](C(C)C)C2 ZINC001734197077 1437938282 /nfs/dbraw/zinc/93/82/82/1437938282.db2.gz UUVZSWHJQYGIDK-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)[C@@H]1C ZINC001734462456 1438118897 /nfs/dbraw/zinc/11/88/97/1438118897.db2.gz VUBYPTLCTBJGAL-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)[C@@H]1C ZINC001734462456 1438118900 /nfs/dbraw/zinc/11/89/00/1438118900.db2.gz VUBYPTLCTBJGAL-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)[C@@H]1C ZINC001734462456 1438118904 /nfs/dbraw/zinc/11/89/04/1438118904.db2.gz VUBYPTLCTBJGAL-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC[NH+](CCCC(C)(C)C)C2CC2)CC[N@H+]1C ZINC001752259972 1440161599 /nfs/dbraw/zinc/16/15/99/1440161599.db2.gz USEUPZCHDUNMIL-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC[N@H+](CCCC(C)(C)C)C2CC2)CC[NH+]1C ZINC001752259972 1440161600 /nfs/dbraw/zinc/16/16/00/1440161600.db2.gz USEUPZCHDUNMIL-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC[N@@H+](CCCC(C)(C)C)C2CC2)CC[NH+]1C ZINC001752259972 1440161601 /nfs/dbraw/zinc/16/16/01/1440161601.db2.gz USEUPZCHDUNMIL-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CC1CC[NH+](CC(=O)NCCC[N@@H+](CC2CCCCC2)C2CC2)CC1 ZINC001752283259 1440164722 /nfs/dbraw/zinc/16/47/22/1440164722.db2.gz MUFXNQROYUXKTI-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001752391888 1440173494 /nfs/dbraw/zinc/17/34/94/1440173494.db2.gz XOCHPNHXFOOIFN-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001752391888 1440173496 /nfs/dbraw/zinc/17/34/96/1440173496.db2.gz XOCHPNHXFOOIFN-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001752391888 1440173498 /nfs/dbraw/zinc/17/34/98/1440173498.db2.gz XOCHPNHXFOOIFN-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001752427002 1440177445 /nfs/dbraw/zinc/17/74/45/1440177445.db2.gz MPXSXECMUMNLAS-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]([NH2+]CCC2CCCCCC2)C2CC2)C1 ZINC001752489844 1440186368 /nfs/dbraw/zinc/18/63/68/1440186368.db2.gz BLSXJGNNGBZOQO-UYAOXDASSA-N 2 1 349.563 3.173 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH+](C)CCCC3CCC3)C2)CC[N@H+]1C ZINC001752508412 1440189893 /nfs/dbraw/zinc/18/98/93/1440189893.db2.gz SRPZGPIARLWDNM-YZGWKJHDSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)CCCC3CCC3)C2)CC[NH+]1C ZINC001752508412 1440189894 /nfs/dbraw/zinc/18/98/94/1440189894.db2.gz SRPZGPIARLWDNM-YZGWKJHDSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)CCCC3CCC3)C2)CC[NH+]1C ZINC001752508412 1440189895 /nfs/dbraw/zinc/18/98/95/1440189895.db2.gz SRPZGPIARLWDNM-YZGWKJHDSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH+](C)CCCC3CCC3)C2)CC[N@H+]1C ZINC001752508411 1440189952 /nfs/dbraw/zinc/18/99/52/1440189952.db2.gz SRPZGPIARLWDNM-MISYRCLQSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[N@H+](C)CCCC3CCC3)C2)CC[NH+]1C ZINC001752508411 1440189953 /nfs/dbraw/zinc/18/99/53/1440189953.db2.gz SRPZGPIARLWDNM-MISYRCLQSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[N@@H+](C)CCCC3CCC3)C2)CC[NH+]1C ZINC001752508411 1440189954 /nfs/dbraw/zinc/18/99/54/1440189954.db2.gz SRPZGPIARLWDNM-MISYRCLQSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)[C@H](C)c2ccccc2)C1 ZINC001752527659 1440193507 /nfs/dbraw/zinc/19/35/07/1440193507.db2.gz LVIGHMQNHHYCQR-RTBURBONSA-N 2 1 345.531 3.260 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)[C@H](C)c2ccccc2)C1 ZINC001752527659 1440193508 /nfs/dbraw/zinc/19/35/08/1440193508.db2.gz LVIGHMQNHHYCQR-RTBURBONSA-N 2 1 345.531 3.260 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H](C[N@@H+](C)[C@H](C)c2ccccc2)C1 ZINC001752527659 1440193509 /nfs/dbraw/zinc/19/35/09/1440193509.db2.gz LVIGHMQNHHYCQR-RTBURBONSA-N 2 1 345.531 3.260 20 0 EGADMP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001752732023 1440204165 /nfs/dbraw/zinc/20/41/65/1440204165.db2.gz XWJGKKWOEGWXNF-GBESFXJTSA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001752785345 1440210953 /nfs/dbraw/zinc/21/09/53/1440210953.db2.gz UWUHGEFISLIXLI-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](C[NH2+]CCC3CCCCCC3)C2)C1 ZINC001752951482 1440252142 /nfs/dbraw/zinc/25/21/42/1440252142.db2.gz HEHMLWUOKAIIIA-AZUAARDMSA-N 2 1 349.563 3.127 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001752998046 1440263012 /nfs/dbraw/zinc/26/30/12/1440263012.db2.gz YDBRBDFZILNLSG-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001752998046 1440263013 /nfs/dbraw/zinc/26/30/13/1440263013.db2.gz YDBRBDFZILNLSG-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001752998046 1440263014 /nfs/dbraw/zinc/26/30/14/1440263014.db2.gz YDBRBDFZILNLSG-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001753007096 1440266090 /nfs/dbraw/zinc/26/60/90/1440266090.db2.gz ARXPUFGEKDQNTL-UYAOXDASSA-N 2 1 345.531 3.162 20 0 EGADMP C[NH+](C)C1(C(=O)NCCC[C@H]2CCC[N@H+]2CC2CC(C)(C)C2)CCC1 ZINC001753028266 1440272021 /nfs/dbraw/zinc/27/20/21/1440272021.db2.gz XZOXJSJETKQVON-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001753029232 1440272153 /nfs/dbraw/zinc/27/21/53/1440272153.db2.gz BTHHUUSUGSYWTL-SFHVURJKSA-N 2 1 337.552 3.410 20 0 EGADMP CCC[NH+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001753029232 1440272154 /nfs/dbraw/zinc/27/21/54/1440272154.db2.gz BTHHUUSUGSYWTL-SFHVURJKSA-N 2 1 337.552 3.410 20 0 EGADMP CCC[NH+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001753029232 1440272155 /nfs/dbraw/zinc/27/21/55/1440272155.db2.gz BTHHUUSUGSYWTL-SFHVURJKSA-N 2 1 337.552 3.410 20 0 EGADMP C[C@H](C(=O)NCCC[C@H]1CCC[N@H+]1CC1CCC1)[NH+]1CCCCCC1 ZINC001753036353 1440274742 /nfs/dbraw/zinc/27/47/42/1440274742.db2.gz WXNAVOWSUBZABW-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)NCC[N@H+](C)CC1CCCCC1)C1CCCCC1 ZINC001753058081 1440282275 /nfs/dbraw/zinc/28/22/75/1440282275.db2.gz JBXPABRGNRWBME-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP C[NH+](CCNC(=O)CC[N@H+](C)C1CCCCC1)CC1CCCCC1 ZINC001753058081 1440282276 /nfs/dbraw/zinc/28/22/76/1440282276.db2.gz JBXPABRGNRWBME-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP C[NH+](CCNC(=O)CC[N@@H+](C)C1CCCCC1)CC1CCCCC1 ZINC001753058081 1440282277 /nfs/dbraw/zinc/28/22/77/1440282277.db2.gz JBXPABRGNRWBME-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)CCC(C)(C)C ZINC001753094697 1440301560 /nfs/dbraw/zinc/30/15/60/1440301560.db2.gz GUEBOGPYQNBNCB-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001753139305 1440320310 /nfs/dbraw/zinc/32/03/10/1440320310.db2.gz YPDREBQYTZQAMN-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001753139305 1440320311 /nfs/dbraw/zinc/32/03/11/1440320311.db2.gz YPDREBQYTZQAMN-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001753139305 1440320312 /nfs/dbraw/zinc/32/03/12/1440320312.db2.gz YPDREBQYTZQAMN-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1ccccc1 ZINC001753142873 1440322432 /nfs/dbraw/zinc/32/24/32/1440322432.db2.gz DITTZSMWTFGFLM-UHFFFAOYSA-N 2 1 345.531 3.279 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CCC1CCCC1 ZINC001753148961 1440326541 /nfs/dbraw/zinc/32/65/41/1440326541.db2.gz SSHHOQGGDAWMPA-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)CCC1CCCC1 ZINC001753148961 1440326542 /nfs/dbraw/zinc/32/65/42/1440326542.db2.gz SSHHOQGGDAWMPA-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)CCC1CCCC1 ZINC001753148961 1440326543 /nfs/dbraw/zinc/32/65/43/1440326543.db2.gz SSHHOQGGDAWMPA-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001753276856 1440346543 /nfs/dbraw/zinc/34/65/43/1440346543.db2.gz AZRBZNNUYDULEK-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCC1)c1ccccc1 ZINC001753298525 1440353247 /nfs/dbraw/zinc/35/32/47/1440353247.db2.gz JDZCWXPJNKJAFJ-PMACEKPBSA-N 2 1 343.515 3.106 20 0 EGADMP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001753318171 1440361030 /nfs/dbraw/zinc/36/10/30/1440361030.db2.gz DPTHMWRNMOEOLC-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CC(CC)CC)C1 ZINC001753318171 1440361031 /nfs/dbraw/zinc/36/10/31/1440361031.db2.gz DPTHMWRNMOEOLC-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CC(CC)CC)C1 ZINC001753318171 1440361032 /nfs/dbraw/zinc/36/10/32/1440361032.db2.gz DPTHMWRNMOEOLC-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001753335133 1440371714 /nfs/dbraw/zinc/37/17/14/1440371714.db2.gz JLZRGQCQLZXGGV-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001753335133 1440371715 /nfs/dbraw/zinc/37/17/15/1440371715.db2.gz JLZRGQCQLZXGGV-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001753335133 1440371716 /nfs/dbraw/zinc/37/17/16/1440371716.db2.gz JLZRGQCQLZXGGV-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001753341233 1440375587 /nfs/dbraw/zinc/37/55/87/1440375587.db2.gz UBCBZXGTGNHTOX-UYAOXDASSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001753341233 1440375588 /nfs/dbraw/zinc/37/55/88/1440375588.db2.gz UBCBZXGTGNHTOX-UYAOXDASSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001753341233 1440375589 /nfs/dbraw/zinc/37/55/89/1440375589.db2.gz UBCBZXGTGNHTOX-UYAOXDASSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001753341409 1440375713 /nfs/dbraw/zinc/37/57/13/1440375713.db2.gz XLJBMVRKPBYDKA-ICSRJNTNSA-N 2 1 343.515 3.084 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001753341409 1440375714 /nfs/dbraw/zinc/37/57/14/1440375714.db2.gz XLJBMVRKPBYDKA-ICSRJNTNSA-N 2 1 343.515 3.084 20 0 EGADMP CC/C=C\CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001753364020 1440384194 /nfs/dbraw/zinc/38/41/94/1440384194.db2.gz MEUNRXDQZZEELM-HCZHMGAMSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001753364020 1440384195 /nfs/dbraw/zinc/38/41/95/1440384195.db2.gz MEUNRXDQZZEELM-HCZHMGAMSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001753364020 1440384196 /nfs/dbraw/zinc/38/41/96/1440384196.db2.gz MEUNRXDQZZEELM-HCZHMGAMSA-N 2 1 349.563 3.388 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH+](C)CC2CCCCC2)CC1 ZINC001753366595 1440385405 /nfs/dbraw/zinc/38/54/05/1440385405.db2.gz FTRJPKRSVBGYGO-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC(C[N@H+](C)CC2CCCCC2)CC1 ZINC001753366595 1440385406 /nfs/dbraw/zinc/38/54/06/1440385406.db2.gz FTRJPKRSVBGYGO-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC(C[N@@H+](C)CC2CCCCC2)CC1 ZINC001753366595 1440385407 /nfs/dbraw/zinc/38/54/07/1440385407.db2.gz FTRJPKRSVBGYGO-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001753438439 1440400764 /nfs/dbraw/zinc/40/07/64/1440400764.db2.gz ZJCYCHJOLMQEPX-PXEQJPNCSA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001753438439 1440400765 /nfs/dbraw/zinc/40/07/65/1440400765.db2.gz ZJCYCHJOLMQEPX-PXEQJPNCSA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001753438439 1440400766 /nfs/dbraw/zinc/40/07/66/1440400766.db2.gz ZJCYCHJOLMQEPX-PXEQJPNCSA-N 2 1 335.536 3.138 20 0 EGADMP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001753461105 1440410653 /nfs/dbraw/zinc/41/06/53/1440410653.db2.gz DLRDSDJJMWYXJQ-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP CCN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001753461105 1440410654 /nfs/dbraw/zinc/41/06/54/1440410654.db2.gz DLRDSDJJMWYXJQ-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001753461105 1440410655 /nfs/dbraw/zinc/41/06/55/1440410655.db2.gz DLRDSDJJMWYXJQ-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001753500705 1440423143 /nfs/dbraw/zinc/42/31/43/1440423143.db2.gz ARYYXJPCMCVVLF-MJGOQNOKSA-N 2 1 343.515 3.169 20 0 EGADMP CC(C)CCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001753508362 1440425208 /nfs/dbraw/zinc/42/52/08/1440425208.db2.gz HOSJOYCWWQIOJP-RBUKOAKNSA-N 2 1 349.563 3.458 20 0 EGADMP CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001753559924 1440436690 /nfs/dbraw/zinc/43/66/90/1440436690.db2.gz XRXVDEMINGIPRZ-QUCCMNQESA-N 2 1 345.531 3.308 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH2+]CCC3CCCC3)CC2)CC[N@H+]1C ZINC001753569505 1440438167 /nfs/dbraw/zinc/43/81/67/1440438167.db2.gz WNTCYIFFKOPJAU-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC(CC[N@@H+](C)CC3CCC3)CC2)CC1 ZINC001753823889 1440497436 /nfs/dbraw/zinc/49/74/36/1440497436.db2.gz QUDRDZQPHPMWJZ-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC(CC[N@H+](C)CC3CC3)CC2)C1 ZINC001753824301 1440497870 /nfs/dbraw/zinc/49/78/70/1440497870.db2.gz YROFHFJEKQDIIN-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1ccc(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001753857232 1440509672 /nfs/dbraw/zinc/50/96/72/1440509672.db2.gz JIDQGXMJRCMNNK-HXUWFJFHSA-N 2 1 345.531 3.185 20 0 EGADMP CC(C)c1ccc(C[NH+](C)CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001753857232 1440509673 /nfs/dbraw/zinc/50/96/73/1440509673.db2.gz JIDQGXMJRCMNNK-HXUWFJFHSA-N 2 1 345.531 3.185 20 0 EGADMP CC(C)c1ccc(C[NH+](C)CCN(C)C(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001753857232 1440509674 /nfs/dbraw/zinc/50/96/74/1440509674.db2.gz JIDQGXMJRCMNNK-HXUWFJFHSA-N 2 1 345.531 3.185 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001753864362 1440513149 /nfs/dbraw/zinc/51/31/49/1440513149.db2.gz ISOBKLOFICEWTJ-RTBURBONSA-N 2 1 339.568 3.322 20 0 EGADMP CC(C)C[C@@H](C)C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001753864362 1440513150 /nfs/dbraw/zinc/51/31/50/1440513150.db2.gz ISOBKLOFICEWTJ-RTBURBONSA-N 2 1 339.568 3.322 20 0 EGADMP CC(C)C[C@@H](C)C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001753864362 1440513151 /nfs/dbraw/zinc/51/31/51/1440513151.db2.gz ISOBKLOFICEWTJ-RTBURBONSA-N 2 1 339.568 3.322 20 0 EGADMP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCC(C)(C)CC2)C1 ZINC001753875916 1440519366 /nfs/dbraw/zinc/51/93/66/1440519366.db2.gz OOYUPBNXMBPZDY-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001753891818 1440522147 /nfs/dbraw/zinc/52/21/47/1440522147.db2.gz PUXOYXMNJHBHBR-OALUTQOASA-N 2 1 346.519 3.036 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001753992312 1440529133 /nfs/dbraw/zinc/52/91/33/1440529133.db2.gz DYMDBJVFSQCZKB-IEBWSBKVSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)CCC[NH2+]CC[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001753999714 1440530029 /nfs/dbraw/zinc/53/00/29/1440530029.db2.gz OUCHINNRPXWNKA-VQIMIIECSA-N 2 1 343.531 3.120 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1ccccc1F)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001754044991 1440535081 /nfs/dbraw/zinc/53/50/81/1440535081.db2.gz AFPSNBRUCACPNA-APWZRJJASA-N 2 1 349.494 3.198 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1ccccc1Cl)C(=O)C[N@@H+](C)C(C)C ZINC001754084299 1440539875 /nfs/dbraw/zinc/53/98/75/1440539875.db2.gz DZNAOLSKQYRTFP-OAHLLOKOSA-N 2 1 339.911 3.179 20 0 EGADMP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001754232406 1440554201 /nfs/dbraw/zinc/55/42/01/1440554201.db2.gz STVDHXQTTZBMCK-OAHLLOKOSA-N 2 1 337.552 3.170 20 0 EGADMP CCCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001754310622 1440572987 /nfs/dbraw/zinc/57/29/87/1440572987.db2.gz JKTSPTTUESZULZ-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001754310622 1440572988 /nfs/dbraw/zinc/57/29/88/1440572988.db2.gz JKTSPTTUESZULZ-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001754310622 1440572989 /nfs/dbraw/zinc/57/29/89/1440572989.db2.gz JKTSPTTUESZULZ-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001754326447 1440580978 /nfs/dbraw/zinc/58/09/78/1440580978.db2.gz KGCOHUSYSQXQPT-AZUAARDMSA-N 2 1 345.531 3.194 20 0 EGADMP Cc1ccccc1C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001754326447 1440580979 /nfs/dbraw/zinc/58/09/79/1440580979.db2.gz KGCOHUSYSQXQPT-AZUAARDMSA-N 2 1 345.531 3.194 20 0 EGADMP Cc1ccccc1C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001754326447 1440580980 /nfs/dbraw/zinc/58/09/80/1440580980.db2.gz KGCOHUSYSQXQPT-AZUAARDMSA-N 2 1 345.531 3.194 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)C[NH+](C)CC=C(C)C)c1ccccc1 ZINC001754330397 1440583428 /nfs/dbraw/zinc/58/34/28/1440583428.db2.gz KWTPOKJIHKTRCU-MJGOQNOKSA-N 2 1 331.504 3.082 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@H](C)C[N@H+](C)CC=C(C)C)c1ccccc1 ZINC001754330397 1440583429 /nfs/dbraw/zinc/58/34/29/1440583429.db2.gz KWTPOKJIHKTRCU-MJGOQNOKSA-N 2 1 331.504 3.082 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC=C(C)C)c1ccccc1 ZINC001754330397 1440583430 /nfs/dbraw/zinc/58/34/30/1440583430.db2.gz KWTPOKJIHKTRCU-MJGOQNOKSA-N 2 1 331.504 3.082 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]CCCN(C)C(=O)C[N@@H+](C)C2CCC2)c1 ZINC001754376097 1440592945 /nfs/dbraw/zinc/59/29/45/1440592945.db2.gz ZPTNJOIKPZIKDK-SFHVURJKSA-N 2 1 345.531 3.287 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C ZINC001754542786 1440626466 /nfs/dbraw/zinc/62/64/66/1440626466.db2.gz DSXZXCCHSKOOHQ-WKOLEINNSA-N 2 1 347.547 3.282 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001754542786 1440626467 /nfs/dbraw/zinc/62/64/67/1440626467.db2.gz DSXZXCCHSKOOHQ-WKOLEINNSA-N 2 1 347.547 3.282 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C ZINC001754542786 1440626468 /nfs/dbraw/zinc/62/64/68/1440626468.db2.gz DSXZXCCHSKOOHQ-WKOLEINNSA-N 2 1 347.547 3.282 20 0 EGADMP CCC/C=C\CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001754561615 1440633756 /nfs/dbraw/zinc/63/37/56/1440633756.db2.gz ZQBMWWGZYXFBDH-FPLPWBNLSA-N 2 1 349.563 3.389 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1)[NH+](CC)CC ZINC001754567984 1440636471 /nfs/dbraw/zinc/63/64/71/1440636471.db2.gz YBRPYSXMZGUXDM-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C)CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001754631184 1440647792 /nfs/dbraw/zinc/64/77/92/1440647792.db2.gz LEPKRTLVTCTGQI-SFHVURJKSA-N 2 1 345.531 3.369 20 0 EGADMP CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001754649308 1440651510 /nfs/dbraw/zinc/65/15/10/1440651510.db2.gz IQZIVOUUCLEGTR-VQTJNVASSA-N 2 1 349.563 3.458 20 0 EGADMP C[N@@H+](CC(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CCCC1)C1CCC1 ZINC001754650596 1440651728 /nfs/dbraw/zinc/65/17/28/1440651728.db2.gz QFBICDJFVCOQOB-LJQANCHMSA-N 2 1 349.563 3.172 20 0 EGADMP C[N@@H+](CC(=O)N[C@]1(C)CC[NH+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001754675544 1440659677 /nfs/dbraw/zinc/65/96/77/1440659677.db2.gz RCJGVJCYRNETNI-OAQYLSRUSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)N[C@]1(C)CC[N@H+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001754675544 1440659678 /nfs/dbraw/zinc/65/96/78/1440659678.db2.gz RCJGVJCYRNETNI-OAQYLSRUSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)N[C@]1(C)CC[N@@H+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001754675544 1440659679 /nfs/dbraw/zinc/65/96/79/1440659679.db2.gz RCJGVJCYRNETNI-OAQYLSRUSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001754683061 1440663385 /nfs/dbraw/zinc/66/33/85/1440663385.db2.gz RFOWRHHTJOFXCS-FQEVSTJZSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@]1(NC(=O)CC[NH+]2CCCCC2)CC[N@@H+](CC2CCCCCC2)C1 ZINC001754685202 1440664739 /nfs/dbraw/zinc/66/47/39/1440664739.db2.gz GIQIZHVNFOTVED-OAQYLSRUSA-N 2 1 349.563 3.413 20 0 EGADMP CCCCCC[N@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001754730213 1440678722 /nfs/dbraw/zinc/67/87/22/1440678722.db2.gz VMFDMMPOIDHKMJ-FQEVSTJZSA-N 2 1 337.552 3.127 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001754733722 1440681371 /nfs/dbraw/zinc/68/13/71/1440681371.db2.gz OJGAMBRSFUXVFW-RTVDBWQISA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001754733722 1440681372 /nfs/dbraw/zinc/68/13/72/1440681372.db2.gz OJGAMBRSFUXVFW-RTVDBWQISA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001754733722 1440681373 /nfs/dbraw/zinc/68/13/73/1440681373.db2.gz OJGAMBRSFUXVFW-RTVDBWQISA-N 2 1 349.563 3.435 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001754735670 1440682136 /nfs/dbraw/zinc/68/21/36/1440682136.db2.gz IBFVHPDPPQTACG-XLIONFOSSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001755033728 1440732996 /nfs/dbraw/zinc/73/29/96/1440732996.db2.gz DEWCWECQFYHCBA-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CCc1ccc(C[NH+](C)CCCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001755039037 1440735968 /nfs/dbraw/zinc/73/59/68/1440735968.db2.gz IKVLFRMYDXSYAY-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccc(C[NH+](C)CCCN(C)C(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001755039037 1440735969 /nfs/dbraw/zinc/73/59/69/1440735969.db2.gz IKVLFRMYDXSYAY-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP Cc1cccc(C[N@H+](C)CCCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC001755048134 1440742438 /nfs/dbraw/zinc/74/24/38/1440742438.db2.gz WGPCNUJQQBJBFF-OALUTQOASA-N 2 1 345.531 3.148 20 0 EGADMP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001755072575 1440747129 /nfs/dbraw/zinc/74/71/29/1440747129.db2.gz LNXUAXARSOMTJX-MJRGOJFPSA-N 2 1 335.536 3.045 20 0 EGADMP CCC(CC)C[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001755074981 1440748146 /nfs/dbraw/zinc/74/81/46/1440748146.db2.gz TYWWSVOMPVAMAG-UHFFFAOYSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001755079894 1440750752 /nfs/dbraw/zinc/75/07/52/1440750752.db2.gz TXLQTANGSULZQX-HXUWFJFHSA-N 2 1 346.519 3.086 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001755079894 1440750753 /nfs/dbraw/zinc/75/07/53/1440750753.db2.gz TXLQTANGSULZQX-HXUWFJFHSA-N 2 1 346.519 3.086 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001755161834 1440764921 /nfs/dbraw/zinc/76/49/21/1440764921.db2.gz NDXYWWFWAKXQLE-ZWKOTPCHSA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001755162967 1440765579 /nfs/dbraw/zinc/76/55/79/1440765579.db2.gz BOYJRNXEROJVJB-IEBWSBKVSA-N 2 1 345.531 3.231 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[N@@H+](C)CCCC2CCCC2)CCC1 ZINC001755195736 1440776790 /nfs/dbraw/zinc/77/67/90/1440776790.db2.gz XGOYBTRONCQRIG-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001755197010 1440777425 /nfs/dbraw/zinc/77/74/25/1440777425.db2.gz DYAOTVCJSIKWGS-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001755201288 1440779920 /nfs/dbraw/zinc/77/99/20/1440779920.db2.gz QJWJNJBVUGSLRK-PMACEKPBSA-N 2 1 345.531 3.401 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001755201288 1440779921 /nfs/dbraw/zinc/77/99/21/1440779921.db2.gz QJWJNJBVUGSLRK-PMACEKPBSA-N 2 1 345.531 3.401 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001755201288 1440779922 /nfs/dbraw/zinc/77/99/22/1440779922.db2.gz QJWJNJBVUGSLRK-PMACEKPBSA-N 2 1 345.531 3.401 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001755327073 1440822242 /nfs/dbraw/zinc/82/22/42/1440822242.db2.gz DQUORGYYOKPHNW-DLBZAZTESA-N 2 1 349.494 3.199 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NC2(C[NH2+]CCC(C)(C)C)CCCCC2)C1 ZINC001755355896 1440829422 /nfs/dbraw/zinc/82/94/22/1440829422.db2.gz ZLLVIRSBKLBTNO-QGZVFWFLSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001755519632 1440864884 /nfs/dbraw/zinc/86/48/84/1440864884.db2.gz BHRQAPBQPUZDDQ-RTBURBONSA-N 2 1 345.531 3.020 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH+](C)CC2CCCCC2)CC1 ZINC001755535113 1440869011 /nfs/dbraw/zinc/86/90/11/1440869011.db2.gz CAJXSIBKVWMFFN-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([N@H+](C)CC2CCCCC2)CC1 ZINC001755535113 1440869012 /nfs/dbraw/zinc/86/90/12/1440869012.db2.gz CAJXSIBKVWMFFN-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([N@@H+](C)CC2CCCCC2)CC1 ZINC001755535113 1440869013 /nfs/dbraw/zinc/86/90/13/1440869013.db2.gz CAJXSIBKVWMFFN-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001755612915 1440887682 /nfs/dbraw/zinc/88/76/82/1440887682.db2.gz RYKVKWVGEHOLML-KRWDZBQOSA-N 2 1 348.535 3.379 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001755619235 1440889917 /nfs/dbraw/zinc/88/99/17/1440889917.db2.gz UUSQCQLOQWPOBY-HKUYNNGSSA-N 2 1 335.536 3.188 20 0 EGADMP CCCCC[N@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001755700015 1440899384 /nfs/dbraw/zinc/89/93/84/1440899384.db2.gz FLRNEVCFBKZGFR-UYAOXDASSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC001755756838 1440914217 /nfs/dbraw/zinc/91/42/17/1440914217.db2.gz HDDHCBOJKUORDR-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC001755757581 1440914266 /nfs/dbraw/zinc/91/42/66/1440914266.db2.gz NVUIZFYSNVHFJA-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001755757579 1440914268 /nfs/dbraw/zinc/91/42/68/1440914268.db2.gz NVUIZFYSNVHFJA-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)N(CC[N@@H+](C)CC1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001755812519 1440921316 /nfs/dbraw/zinc/92/13/16/1440921316.db2.gz RTSJZFQYXHSJNN-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)N(CC[NH+](C)CC1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001755812519 1440921317 /nfs/dbraw/zinc/92/13/17/1440921317.db2.gz RTSJZFQYXHSJNN-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)N(CC[NH+](C)CC1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001755812519 1440921318 /nfs/dbraw/zinc/92/13/18/1440921318.db2.gz RTSJZFQYXHSJNN-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH2+]CC2=CCCCC2)C(C)(C)C)CC[N@H+]1C ZINC001755829287 1440928345 /nfs/dbraw/zinc/92/83/45/1440928345.db2.gz AWTPRUDLUMNKSD-WDSOQIARSA-N 2 1 349.563 3.338 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)C(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001755851758 1440935246 /nfs/dbraw/zinc/93/52/46/1440935246.db2.gz KHGGOVORBTUYOW-UHFFFAOYSA-N 2 1 345.531 3.039 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001755861606 1440936936 /nfs/dbraw/zinc/93/69/36/1440936936.db2.gz CBINLIPOTQIUJH-WWDZGPRUSA-N 2 1 339.568 3.226 20 0 EGADMP CC/C=C/CC[NH+]1CCC(C2(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001755868807 1440938435 /nfs/dbraw/zinc/93/84/35/1440938435.db2.gz HYBDDABEVFJSMY-SHCNBLLESA-N 2 1 347.547 3.045 20 0 EGADMP Cn1cc([C@H]2[C@H](C[N@@H+](C)[C@@H]3C[C@@H]3c3ccccc3)CCCN2C)cn1 ZINC000368259966 168333523 /nfs/dbraw/zinc/33/35/23/168333523.db2.gz HMBRZIFEHZJBKD-OYNPSCLESA-N 2 1 338.499 3.291 20 0 EGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000368952680 168384875 /nfs/dbraw/zinc/38/48/75/168384875.db2.gz WMGIULMVBZAWRM-HXUWFJFHSA-N 2 1 344.499 3.305 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261982919 282240058 /nfs/dbraw/zinc/24/00/58/282240058.db2.gz JLCILDNPHNNGCX-GOSISDBHSA-N 2 1 330.863 3.020 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261982919 282240061 /nfs/dbraw/zinc/24/00/61/282240061.db2.gz JLCILDNPHNNGCX-GOSISDBHSA-N 2 1 330.863 3.020 20 0 EGADMP Cc1nn2c(C[N@@H+]3CCCC34CC[NH+](C)CC4)c(C(C)C)nc2s1 ZINC000355037333 282304127 /nfs/dbraw/zinc/30/41/27/282304127.db2.gz JWDHUMURAXBULL-UHFFFAOYSA-N 2 1 347.532 3.283 20 0 EGADMP Cc1nn2c(C[N@H+]3CCCC34CC[NH+](C)CC4)c(C(C)C)nc2s1 ZINC000355037333 282304128 /nfs/dbraw/zinc/30/41/28/282304128.db2.gz JWDHUMURAXBULL-UHFFFAOYSA-N 2 1 347.532 3.283 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000103188489 219267717 /nfs/dbraw/zinc/26/77/17/219267717.db2.gz AHSKYRNZTMFVLV-IBGZPJMESA-N 2 1 325.456 3.380 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000103188489 219267719 /nfs/dbraw/zinc/26/77/19/219267719.db2.gz AHSKYRNZTMFVLV-IBGZPJMESA-N 2 1 325.456 3.380 20 0 EGADMP CCC[N@@H+](C)[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)c1ccc(Cl)cc1 ZINC000358937420 283076504 /nfs/dbraw/zinc/07/65/04/283076504.db2.gz VXZQFILEFVMDTC-SJORKVTESA-N 2 1 339.911 3.179 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C[C@@H]1c1ccccc1 ZINC000340318735 283142117 /nfs/dbraw/zinc/14/21/17/283142117.db2.gz XDVHEPGOIUHTOZ-OMZCGLGVSA-N 2 1 326.484 3.369 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C[C@@H]1c1ccccc1 ZINC000340318735 283142119 /nfs/dbraw/zinc/14/21/19/283142119.db2.gz XDVHEPGOIUHTOZ-OMZCGLGVSA-N 2 1 326.484 3.369 20 0 EGADMP COc1c(Br)cccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000186935773 236070393 /nfs/dbraw/zinc/07/03/93/236070393.db2.gz IYCSTCHNOJGKLN-UHFFFAOYSA-N 2 1 341.293 3.231 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)[C@@H]1C ZINC000354635462 291124886 /nfs/dbraw/zinc/12/48/86/291124886.db2.gz RDRIPLHCTFAFBD-GJGATLCTSA-N 2 1 336.520 3.207 20 0 EGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC000342101313 283318967 /nfs/dbraw/zinc/31/89/67/283318967.db2.gz PYFNVMFQUXQEKL-QGZVFWFLSA-N 2 1 335.536 3.057 20 0 EGADMP Fc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000037408295 213144690 /nfs/dbraw/zinc/14/46/90/213144690.db2.gz HVWDFXCBCAUORB-GFCCVEGCSA-N 2 1 327.241 3.162 20 0 EGADMP C[N@@H+](CCO[C@@H]1CCCCO1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000193081848 240010049 /nfs/dbraw/zinc/01/00/49/240010049.db2.gz HESSLSOOPBGWND-HXUWFJFHSA-N 2 1 347.503 3.163 20 0 EGADMP C[C@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@@H]1n1ccnc1 ZINC000193257481 240081400 /nfs/dbraw/zinc/08/14/00/240081400.db2.gz RFYKWTLUKBMHOZ-LPHOPBHVSA-N 2 1 325.456 3.334 20 0 EGADMP Fc1ccc(Br)c(F)c1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000230306966 242257790 /nfs/dbraw/zinc/25/77/90/242257790.db2.gz KUFKMVNPENEVJM-JTQLQIEISA-N 2 1 345.231 3.301 20 0 EGADMP c1ccc2c(c1)CCSC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000133088154 223387127 /nfs/dbraw/zinc/38/71/27/223387127.db2.gz VIIIHNNMDOZNMP-OXJNMPFZSA-N 2 1 346.540 3.108 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000236829666 242375303 /nfs/dbraw/zinc/37/53/03/242375303.db2.gz ZRWDAPBWBVPEAA-HZPDHXFCSA-N 2 1 326.444 3.121 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000246392402 243245113 /nfs/dbraw/zinc/24/51/13/243245113.db2.gz PLOWSPODZNVAHX-QWFCFKBJSA-N 2 1 343.515 3.190 20 0 EGADMP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000262713395 245138131 /nfs/dbraw/zinc/13/81/31/245138131.db2.gz SIBPUJYEYRNLIP-HXUWFJFHSA-N 2 1 343.471 3.045 20 0 EGADMP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000262713395 245138135 /nfs/dbraw/zinc/13/81/35/245138135.db2.gz SIBPUJYEYRNLIP-HXUWFJFHSA-N 2 1 343.471 3.045 20 0 EGADMP CC[N@H+](CC(=O)N(C1CC1)C1CCC(C)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000345185304 284381517 /nfs/dbraw/zinc/38/15/17/284381517.db2.gz ZRRMVZKCKPLGHJ-LXPRWKDFSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](CC(=O)N(C1CC1)C1CCC(C)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000345185304 284381519 /nfs/dbraw/zinc/38/15/19/284381519.db2.gz ZRRMVZKCKPLGHJ-LXPRWKDFSA-N 2 1 335.536 3.020 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnc3ccccc3c2)[C@@H](C)C1 ZINC000265149786 247250068 /nfs/dbraw/zinc/25/00/68/247250068.db2.gz AZNSRGDFZAGAGC-FXAWDEMLSA-N 2 1 341.499 3.461 20 0 EGADMP Cc1nccn1CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377337843 169012363 /nfs/dbraw/zinc/01/23/63/169012363.db2.gz QNMJBWDYZYNRPO-LEWJYISDSA-N 2 1 338.499 3.036 20 0 EGADMP Cc1nccn1CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377337843 169012364 /nfs/dbraw/zinc/01/23/64/169012364.db2.gz QNMJBWDYZYNRPO-LEWJYISDSA-N 2 1 338.499 3.036 20 0 EGADMP Cc1nccn1CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377337843 169012365 /nfs/dbraw/zinc/01/23/65/169012365.db2.gz QNMJBWDYZYNRPO-LEWJYISDSA-N 2 1 338.499 3.036 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000090522487 217934972 /nfs/dbraw/zinc/93/49/72/217934972.db2.gz IUWAJEPYHYGNIJ-ZNOIYHFQSA-N 2 1 338.442 3.383 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000092066779 218115254 /nfs/dbraw/zinc/11/52/54/218115254.db2.gz NEXSCUUAZKXKJS-AEFFLSMTSA-N 2 1 330.472 3.153 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000092066779 218115256 /nfs/dbraw/zinc/11/52/56/218115256.db2.gz NEXSCUUAZKXKJS-AEFFLSMTSA-N 2 1 330.472 3.153 20 0 EGADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000092066779 218115258 /nfs/dbraw/zinc/11/52/58/218115258.db2.gz NEXSCUUAZKXKJS-AEFFLSMTSA-N 2 1 330.472 3.153 20 0 EGADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000092066779 218115261 /nfs/dbraw/zinc/11/52/61/218115261.db2.gz NEXSCUUAZKXKJS-AEFFLSMTSA-N 2 1 330.472 3.153 20 0 EGADMP C[N@H+](Cc1cccc(OCc2ccccn2)c1)CC1CC[NH+](C)CC1 ZINC000093089363 218192965 /nfs/dbraw/zinc/19/29/65/218192965.db2.gz VLFQTVXPCRGQTE-UHFFFAOYSA-N 2 1 339.483 3.434 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000268753071 252203783 /nfs/dbraw/zinc/20/37/83/252203783.db2.gz IOMHSSARKPMGDA-VQIMIIECSA-N 2 1 325.456 3.233 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000268753071 252203787 /nfs/dbraw/zinc/20/37/87/252203787.db2.gz IOMHSSARKPMGDA-VQIMIIECSA-N 2 1 325.456 3.233 20 0 EGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268760873 252210092 /nfs/dbraw/zinc/21/00/92/252210092.db2.gz LMTUUUOPUJGYFP-HNNXBMFYSA-N 2 1 332.492 3.351 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268760873 252210095 /nfs/dbraw/zinc/21/00/95/252210095.db2.gz LMTUUUOPUJGYFP-HNNXBMFYSA-N 2 1 332.492 3.351 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCCC2=O)cc1 ZINC000268771481 252221781 /nfs/dbraw/zinc/22/17/81/252221781.db2.gz LWZBULOFYROHIX-SNRMKQJTSA-N 2 1 327.472 3.091 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N2CCCC2=O)cc1 ZINC000268771481 252221787 /nfs/dbraw/zinc/22/17/87/252221787.db2.gz LWZBULOFYROHIX-SNRMKQJTSA-N 2 1 327.472 3.091 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000268806933 252259672 /nfs/dbraw/zinc/25/96/72/252259672.db2.gz JIVOGDJOTLAQIC-IPYPFGDCSA-N 2 1 344.425 3.221 20 0 EGADMP CSc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1F ZINC000268839006 252286800 /nfs/dbraw/zinc/28/68/00/252286800.db2.gz MUAPAMAUROGXRM-ZDUSSCGKSA-N 2 1 326.481 3.045 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(Br)s1 ZINC000154188400 224215967 /nfs/dbraw/zinc/21/59/67/224215967.db2.gz ZALWNFHMYRDDOF-WZRBSPASSA-N 2 1 331.323 3.371 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000154868918 224318753 /nfs/dbraw/zinc/31/87/53/224318753.db2.gz XZOAIEYRNLBMKM-CQSZACIVSA-N 2 1 338.517 3.179 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246942397 141044907 /nfs/dbraw/zinc/04/49/07/141044907.db2.gz HQWFJLQMKQYIQO-LQWHRVPQSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246942397 141044909 /nfs/dbraw/zinc/04/49/09/141044909.db2.gz HQWFJLQMKQYIQO-LQWHRVPQSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246942397 141044911 /nfs/dbraw/zinc/04/49/11/141044911.db2.gz HQWFJLQMKQYIQO-LQWHRVPQSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246942397 141044914 /nfs/dbraw/zinc/04/49/14/141044914.db2.gz HQWFJLQMKQYIQO-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246942397 141044915 /nfs/dbraw/zinc/04/49/15/141044915.db2.gz HQWFJLQMKQYIQO-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246942397 141044919 /nfs/dbraw/zinc/04/49/19/141044919.db2.gz HQWFJLQMKQYIQO-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246942397 141044921 /nfs/dbraw/zinc/04/49/21/141044921.db2.gz HQWFJLQMKQYIQO-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246942397 141044923 /nfs/dbraw/zinc/04/49/23/141044923.db2.gz HQWFJLQMKQYIQO-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246942397 141044925 /nfs/dbraw/zinc/04/49/25/141044925.db2.gz HQWFJLQMKQYIQO-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cnn(C)c1 ZINC000247003476 141048387 /nfs/dbraw/zinc/04/83/87/141048387.db2.gz JYXDSGAXWAPGDL-PFRQMTDMSA-N 2 1 326.488 3.227 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2ccccc2)[C@@H](C)C1 ZINC000268861350 141059652 /nfs/dbraw/zinc/05/96/52/141059652.db2.gz SCSKJTSWNSCFIY-YSIASYRMSA-N 2 1 334.504 3.101 20 0 EGADMP Cc1nc2ccccn2c1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934422 141220228 /nfs/dbraw/zinc/22/02/28/141220228.db2.gz OEPKXXZKDSFHND-NVXWUHKLSA-N 2 1 326.488 3.385 20 0 EGADMP CC1(C)C[C@H](N[C@H]2CC[N@@H+](CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000677805511 549334556 /nfs/dbraw/zinc/33/45/56/549334556.db2.gz NMDLUVMBYGPPDS-PMACEKPBSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@H](N[C@H]2CC[NH+](CC3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000677805511 549334540 /nfs/dbraw/zinc/33/45/40/549334540.db2.gz NMDLUVMBYGPPDS-PMACEKPBSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@H](N[C@H]2CC[NH+](CC3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000677805511 549334546 /nfs/dbraw/zinc/33/45/46/549334546.db2.gz NMDLUVMBYGPPDS-PMACEKPBSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@H](N[C@H]2CC[N@H+](CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000677805511 549334551 /nfs/dbraw/zinc/33/45/51/549334551.db2.gz NMDLUVMBYGPPDS-PMACEKPBSA-N 2 1 327.516 3.113 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)C[NH+](C)C(C)C)cc1)C(C)C ZINC000356816893 141347646 /nfs/dbraw/zinc/34/76/46/141347646.db2.gz RPXMKBVKWLEGTE-KRWDZBQOSA-N 2 1 333.520 3.375 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1)C(C)C ZINC000356816893 141347650 /nfs/dbraw/zinc/34/76/50/141347650.db2.gz RPXMKBVKWLEGTE-KRWDZBQOSA-N 2 1 333.520 3.375 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1)C(C)C ZINC000356816893 141347653 /nfs/dbraw/zinc/34/76/53/141347653.db2.gz RPXMKBVKWLEGTE-KRWDZBQOSA-N 2 1 333.520 3.375 20 0 EGADMP Cc1ccccc1CN(C)C(=O)[C@@H](C)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000173643239 144045621 /nfs/dbraw/zinc/04/56/21/144045621.db2.gz VQYINFXYAGYYPZ-QUCCMNQESA-N 2 1 345.531 3.148 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1ccccc1OC(F)(F)F ZINC000185211189 144106920 /nfs/dbraw/zinc/10/69/20/144106920.db2.gz CDBDNOPLAJSONY-UHFFFAOYSA-N 2 1 339.361 3.379 20 0 EGADMP COc1c(Br)cccc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000187281786 144155960 /nfs/dbraw/zinc/15/59/60/144155960.db2.gz AGTGYILEGVXBKH-KBPBESRZSA-N 2 1 341.293 3.420 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccccc2Cl)CC[N@H+]1C ZINC000344635440 144203201 /nfs/dbraw/zinc/20/32/01/144203201.db2.gz TUCSLOYINCWCRH-UKRRQHHQSA-N 2 1 332.879 3.313 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc(Cl)c1OC ZINC000344663616 144207991 /nfs/dbraw/zinc/20/79/91/144207991.db2.gz HJVXPEIQYAVXLW-OCCSQVGLSA-N 2 1 326.868 3.320 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc(Cl)c1OC ZINC000344663616 144207993 /nfs/dbraw/zinc/20/79/93/144207993.db2.gz HJVXPEIQYAVXLW-OCCSQVGLSA-N 2 1 326.868 3.320 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOC(c3ccccc3)c3ccccc3)C[C@H]12 ZINC000351475179 144266303 /nfs/dbraw/zinc/26/63/03/144266303.db2.gz HQNOYIDYPAUUCD-QHAWAJNXSA-N 2 1 336.479 3.462 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)C[C@H]12 ZINC000351486809 144268017 /nfs/dbraw/zinc/26/80/17/144268017.db2.gz BFXYNNZJLISJJD-FGTMMUONSA-N 2 1 332.451 3.170 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)N(c3ccccc3)C3CCCCC3)C[C@H]12 ZINC000351490128 144268285 /nfs/dbraw/zinc/26/82/85/144268285.db2.gz IFGWURLPWHRAGT-FFZOFVMBSA-N 2 1 341.499 3.021 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)N(c3ccccc3)C3CCCCC3)C[C@H]12 ZINC000351490128 144268287 /nfs/dbraw/zinc/26/82/87/144268287.db2.gz IFGWURLPWHRAGT-FFZOFVMBSA-N 2 1 341.499 3.021 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351498452 144269959 /nfs/dbraw/zinc/26/99/59/144269959.db2.gz VTUAFVZKPSIRDG-DJABAAGCSA-N 2 1 349.478 3.350 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351498452 144269961 /nfs/dbraw/zinc/26/99/61/144269961.db2.gz VTUAFVZKPSIRDG-DJABAAGCSA-N 2 1 349.478 3.350 20 0 EGADMP Clc1sccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000361573104 144330162 /nfs/dbraw/zinc/33/01/62/144330162.db2.gz XLVFDZCNCIDRIZ-UHFFFAOYSA-N 2 1 328.909 3.478 20 0 EGADMP Cc1cnc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)n1C ZINC000341113027 155166240 /nfs/dbraw/zinc/16/62/40/155166240.db2.gz DMDMPTRZBBBQBK-IRXDYDNUSA-N 2 1 340.515 3.496 20 0 EGADMP C[NH2+]CCCCNc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000119713392 152223795 /nfs/dbraw/zinc/22/37/95/152223795.db2.gz SIDNZPTYFIYORB-UHFFFAOYSA-N 2 1 327.432 3.101 20 0 EGADMP CSc1ccc([C@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)[NH+](C)C)cc1 ZINC000341549106 155347853 /nfs/dbraw/zinc/34/78/53/155347853.db2.gz DNCNYVCHYVODCS-DAYGRLMNSA-N 2 1 349.544 3.000 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CNc3cc(N4CCCC4)ncn3)C2)cc1 ZINC000192959172 153271438 /nfs/dbraw/zinc/27/14/38/153271438.db2.gz HGWFWJZKYCJDKV-GOSISDBHSA-N 2 1 337.471 3.011 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000195134747 153382682 /nfs/dbraw/zinc/38/26/82/153382682.db2.gz KDENHHGLPDEEFY-XRXFAXGQSA-N 2 1 340.511 3.446 20 0 EGADMP COCc1cccc(OCC2(C[NH2+][C@](C)(C[NH3+])C3CC3)CCC2)c1 ZINC000262135475 153785366 /nfs/dbraw/zinc/78/53/66/153785366.db2.gz OPPIFGCOHFTLNS-LJQANCHMSA-N 2 1 332.488 3.099 20 0 EGADMP COc1cc(C[N@H+](CCC[NH3+])Cc2ccccc2)cc(OC)c1OC ZINC000302068729 154025149 /nfs/dbraw/zinc/02/51/49/154025149.db2.gz WRGZWVHHKSBGER-UHFFFAOYSA-N 2 1 344.455 3.063 20 0 EGADMP COc1cc(C[N@@H+](CCC[NH3+])Cc2ccccc2)cc(OC)c1OC ZINC000302068729 154025152 /nfs/dbraw/zinc/02/51/52/154025152.db2.gz WRGZWVHHKSBGER-UHFFFAOYSA-N 2 1 344.455 3.063 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000303182315 154038295 /nfs/dbraw/zinc/03/82/95/154038295.db2.gz KWAJSIHOUMEQGC-NSHGMRRFSA-N 2 1 345.531 3.164 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000303182315 154038299 /nfs/dbraw/zinc/03/82/99/154038299.db2.gz KWAJSIHOUMEQGC-NSHGMRRFSA-N 2 1 345.531 3.164 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000303182315 154038303 /nfs/dbraw/zinc/03/83/03/154038303.db2.gz KWAJSIHOUMEQGC-NSHGMRRFSA-N 2 1 345.531 3.164 20 0 EGADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000310097540 154138650 /nfs/dbraw/zinc/13/86/50/154138650.db2.gz AGWFLFYAZXMKCP-APWZRJJASA-N 2 1 325.456 3.090 20 0 EGADMP c1nn2ccccc2c1C[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000311798658 154149823 /nfs/dbraw/zinc/14/98/23/154149823.db2.gz KDCRMETWAXFZRJ-TYPHKJRUSA-N 2 1 346.478 3.335 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+](C)CCC[NH+]3CCCC3)ccc2o1 ZINC000337282300 154259218 /nfs/dbraw/zinc/25/92/18/154259218.db2.gz XDRAEZXLVQEAED-UHFFFAOYSA-N 2 1 330.428 3.137 20 0 EGADMP COC(=O)c1cc2cc(C[N@@H+](C)CCC[NH+]3CCCC3)ccc2o1 ZINC000337282300 154259220 /nfs/dbraw/zinc/25/92/20/154259220.db2.gz XDRAEZXLVQEAED-UHFFFAOYSA-N 2 1 330.428 3.137 20 0 EGADMP c1cncc([C@@H]2CCC[C@H]([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)c1 ZINC000337348684 154299522 /nfs/dbraw/zinc/29/95/22/154299522.db2.gz ZGPVZEXUSWYHDT-QUCCMNQESA-N 2 1 343.515 3.342 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000340115206 155103921 /nfs/dbraw/zinc/10/39/21/155103921.db2.gz KVPSYLJWPMXVPC-UXHICEINSA-N 2 1 345.531 3.300 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@@H]21 ZINC000346821079 156151363 /nfs/dbraw/zinc/15/13/63/156151363.db2.gz LFUMSQKPZMUZBA-RRQGHBQHSA-N 2 1 330.863 3.289 20 0 EGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000346838927 156160872 /nfs/dbraw/zinc/16/08/72/156160872.db2.gz XWTXIILRHUTFLM-KSZLIROESA-N 2 1 332.488 3.433 20 0 EGADMP Cc1cc(C(=O)C[N@H+]2CCC[C@@H](c3nccn3C)C2)c(C)n1C1CC1 ZINC000365626632 157195974 /nfs/dbraw/zinc/19/59/74/157195974.db2.gz JECYAXPGXDFRBB-MRXNPFEDSA-N 2 1 340.471 3.236 20 0 EGADMP Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c(C)n1C1CC1 ZINC000365626632 157195980 /nfs/dbraw/zinc/19/59/80/157195980.db2.gz JECYAXPGXDFRBB-MRXNPFEDSA-N 2 1 340.471 3.236 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000110975402 162140871 /nfs/dbraw/zinc/14/08/71/162140871.db2.gz NXVPKMRHHSMDGJ-KRWDZBQOSA-N 2 1 345.531 3.379 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000126157594 162295749 /nfs/dbraw/zinc/29/57/49/162295749.db2.gz QDJRRZCTTMUZLE-SFHVURJKSA-N 2 1 347.528 3.048 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(F)c1 ZINC000248432043 163004003 /nfs/dbraw/zinc/00/40/03/163004003.db2.gz CLBBOOIBBSFUEM-FOIQADDNSA-N 2 1 328.431 3.243 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000249116888 163057012 /nfs/dbraw/zinc/05/70/12/163057012.db2.gz SKFMVNCUALOYIL-YSTOQKLRSA-N 2 1 326.484 3.056 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C[C@@H](c2ccccc2)C1 ZINC000305162870 163075931 /nfs/dbraw/zinc/07/59/31/163075931.db2.gz XNRDYLVJNNWDRX-YSIASYRMSA-N 2 1 330.516 3.395 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000338573608 163277915 /nfs/dbraw/zinc/27/79/15/163277915.db2.gz KALXKHOVARDKIH-PXNSSMCTSA-N 2 1 343.515 3.227 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cncc(OC)c2)CC1)CC1CC1 ZINC000343714814 164019014 /nfs/dbraw/zinc/01/90/14/164019014.db2.gz PYIPBYCYYSGEKY-UHFFFAOYSA-N 2 1 331.504 3.424 20 0 EGADMP CC(C)[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(F)cn1 ZINC000343935777 164069596 /nfs/dbraw/zinc/06/95/96/164069596.db2.gz OUYNCRVJBIMIHB-IBGZPJMESA-N 2 1 346.450 3.043 20 0 EGADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cc(F)cc(F)c1 ZINC000343984153 164077212 /nfs/dbraw/zinc/07/72/12/164077212.db2.gz LZBUAONQHUFTMR-ZDUSSCGKSA-N 2 1 335.398 3.151 20 0 EGADMP COc1ccc([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1F ZINC000343993142 164079048 /nfs/dbraw/zinc/07/90/48/164079048.db2.gz RLWPKKMQKCDRGK-AWEZNQCLSA-N 2 1 347.434 3.021 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000345744548 164257193 /nfs/dbraw/zinc/25/71/93/164257193.db2.gz YTULQINIIGUFDD-IAGOWNOFSA-N 2 1 339.483 3.440 20 0 EGADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCO[C@@H](C(C)C)C3)CCCC2)CC1 ZINC000346127145 164344263 /nfs/dbraw/zinc/34/42/63/164344263.db2.gz CCPZOPHWOATXPN-PKOBYXMFSA-N 2 1 338.536 3.203 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2F)C1 ZINC000350319813 165029828 /nfs/dbraw/zinc/02/98/28/165029828.db2.gz FWIZGHVJMJLVIE-ZBFHGGJFSA-N 2 1 326.431 3.459 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2F)C1 ZINC000350319813 165029829 /nfs/dbraw/zinc/02/98/29/165029829.db2.gz FWIZGHVJMJLVIE-ZBFHGGJFSA-N 2 1 326.431 3.459 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000351620688 165105759 /nfs/dbraw/zinc/10/57/59/165105759.db2.gz QRIYLRCZGVIXGJ-HKUYNNGSSA-N 2 1 329.488 3.212 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000351620688 165105772 /nfs/dbraw/zinc/10/57/72/165105772.db2.gz QRIYLRCZGVIXGJ-HKUYNNGSSA-N 2 1 329.488 3.212 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000351620688 165105780 /nfs/dbraw/zinc/10/57/80/165105780.db2.gz QRIYLRCZGVIXGJ-HKUYNNGSSA-N 2 1 329.488 3.212 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371341077 287143039 /nfs/dbraw/zinc/14/30/39/287143039.db2.gz LEQBOBVHXLAXIV-JTDSTZFVSA-N 2 1 335.923 3.359 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371341077 287143040 /nfs/dbraw/zinc/14/30/40/287143040.db2.gz LEQBOBVHXLAXIV-JTDSTZFVSA-N 2 1 335.923 3.359 20 0 EGADMP C[N@H+](CCCCOC(C)(C)C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000355255778 166147316 /nfs/dbraw/zinc/14/73/16/166147316.db2.gz FYOBSCUIEFRGJZ-NRFANRHFSA-N 2 1 348.531 3.151 20 0 EGADMP C[N@@H+](CCCCOC(C)(C)C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000355255778 166147318 /nfs/dbraw/zinc/14/73/18/166147318.db2.gz FYOBSCUIEFRGJZ-NRFANRHFSA-N 2 1 348.531 3.151 20 0 EGADMP C[NH+](CCCCOC(C)(C)C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000355255778 166147321 /nfs/dbraw/zinc/14/73/21/166147321.db2.gz FYOBSCUIEFRGJZ-NRFANRHFSA-N 2 1 348.531 3.151 20 0 EGADMP C[NH+](CCCCOC(C)(C)C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000355255778 166147323 /nfs/dbraw/zinc/14/73/23/166147323.db2.gz FYOBSCUIEFRGJZ-NRFANRHFSA-N 2 1 348.531 3.151 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000360616394 167370785 /nfs/dbraw/zinc/37/07/85/167370785.db2.gz UNBQWPDDXLNEIE-LSDHHAIUSA-N 2 1 325.460 3.315 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000365803055 168044665 /nfs/dbraw/zinc/04/46/65/168044665.db2.gz WOWDHEHGIWTVCH-QFIPXVFZSA-N 2 1 347.462 3.317 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000366419491 168118647 /nfs/dbraw/zinc/11/86/47/168118647.db2.gz SAILXUMXOPILGL-LSTHTHJFSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000366419491 168118648 /nfs/dbraw/zinc/11/86/48/168118648.db2.gz SAILXUMXOPILGL-LSTHTHJFSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H](CCn1cccn1)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000366951541 168160042 /nfs/dbraw/zinc/16/00/42/168160042.db2.gz JNZPJKHKHDZGCK-AZUAARDMSA-N 2 1 326.488 3.164 20 0 EGADMP C[C@@H](NCc1cnc2n1CCCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367436618 168224837 /nfs/dbraw/zinc/22/48/37/168224837.db2.gz GNRYQWPDGKTMBY-IEBWSBKVSA-N 3 1 338.499 3.220 20 0 EGADMP C[C@@H]([NH2+]Cc1cnc2n1CCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367436618 168224839 /nfs/dbraw/zinc/22/48/39/168224839.db2.gz GNRYQWPDGKTMBY-IEBWSBKVSA-N 3 1 338.499 3.220 20 0 EGADMP C[C@@H]([NH2+]Cc1cnc2n1CCCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367436618 168224841 /nfs/dbraw/zinc/22/48/41/168224841.db2.gz GNRYQWPDGKTMBY-IEBWSBKVSA-N 2 1 338.499 3.220 20 0 EGADMP COC[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1F ZINC000367490803 168233321 /nfs/dbraw/zinc/23/33/21/168233321.db2.gz PNOPKVBXKOTKBO-ZENOOKHLSA-N 2 1 326.843 3.383 20 0 EGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnn3ccccc23)CC1 ZINC000367621191 168251064 /nfs/dbraw/zinc/25/10/64/168251064.db2.gz DTTDBPBLABMYMP-APWZRJJASA-N 2 1 326.488 3.467 20 0 EGADMP C[S@@](=O)Cc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000367625970 168252561 /nfs/dbraw/zinc/25/25/61/168252561.db2.gz LXQRKWOPXYRKNC-XMMPIXPASA-N 2 1 348.556 3.452 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367904963 168282659 /nfs/dbraw/zinc/28/26/59/168282659.db2.gz SPNVIDQDAJCSKR-MJUUVYJYSA-N 2 1 330.516 3.285 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC1CC[NH2+]CC1 ZINC000237342654 287275954 /nfs/dbraw/zinc/27/59/54/287275954.db2.gz SVOUPBMETWTWAE-QGZVFWFLSA-N 2 1 343.515 3.067 20 0 EGADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180054694 265393602 /nfs/dbraw/zinc/39/36/02/265393602.db2.gz FACISOVOIMHWFF-QQFBHYJXSA-N 2 1 327.513 3.142 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000236663903 266209897 /nfs/dbraw/zinc/20/98/97/266209897.db2.gz YAMUWRIFFNZSFP-UXHICEINSA-N 2 1 345.531 3.441 20 0 EGADMP C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273227800 267000739 /nfs/dbraw/zinc/00/07/39/267000739.db2.gz FHYWDGMRJWPSEW-LPHOPBHVSA-N 2 1 328.500 3.407 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273630136 267072126 /nfs/dbraw/zinc/07/21/26/267072126.db2.gz SGCNNHRJFUZFGW-PKOBYXMFSA-N 2 1 329.419 3.297 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1-c1noc(C[N@H+](C)C(C)C)n1 ZINC000273809078 267114909 /nfs/dbraw/zinc/11/49/09/267114909.db2.gz WLUVNNSYZUCMCZ-UHFFFAOYSA-N 2 1 346.475 3.297 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1-c1noc(C[N@@H+](C)C(C)C)n1 ZINC000273809078 267114911 /nfs/dbraw/zinc/11/49/11/267114911.db2.gz WLUVNNSYZUCMCZ-UHFFFAOYSA-N 2 1 346.475 3.297 20 0 EGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000275158645 267324976 /nfs/dbraw/zinc/32/49/76/267324976.db2.gz AFVWXVZIBBMNOF-HXUWFJFHSA-N 2 1 330.516 3.488 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1-c1noc(C[NH+](CC)CC)n1 ZINC000277003510 267674098 /nfs/dbraw/zinc/67/40/98/267674098.db2.gz ZPLKMKBVWABRCY-UHFFFAOYSA-N 2 1 346.475 3.299 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277356773 267770820 /nfs/dbraw/zinc/77/08/20/267770820.db2.gz DYXTVQNLUTTYDS-QGZVFWFLSA-N 2 1 328.460 3.001 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277356773 267770821 /nfs/dbraw/zinc/77/08/21/267770821.db2.gz DYXTVQNLUTTYDS-QGZVFWFLSA-N 2 1 328.460 3.001 20 0 EGADMP C[NH+](C)Cc1ccc(-c2noc([C@H](c3ccccc3)[NH+](C)C)n2)cc1 ZINC000278485557 268024369 /nfs/dbraw/zinc/02/43/69/268024369.db2.gz AXXICHRFOQCFMA-SFHVURJKSA-N 2 1 336.439 3.449 20 0 EGADMP CC[NH+]1CCC([N@H+](C)CCOc2ccc(Br)cc2)CC1 ZINC000042681376 275126869 /nfs/dbraw/zinc/12/68/69/275126869.db2.gz UYDYRLZAGVZXCE-UHFFFAOYSA-N 2 1 341.293 3.244 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)CCOc2ccc(Br)cc2)CC1 ZINC000042681376 275126870 /nfs/dbraw/zinc/12/68/70/275126870.db2.gz UYDYRLZAGVZXCE-UHFFFAOYSA-N 2 1 341.293 3.244 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000277038061 275254275 /nfs/dbraw/zinc/25/42/75/275254275.db2.gz BOWMJULYVFWLRQ-RBUKOAKNSA-N 2 1 348.531 3.140 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000277038061 275254277 /nfs/dbraw/zinc/25/42/77/275254277.db2.gz BOWMJULYVFWLRQ-RBUKOAKNSA-N 2 1 348.531 3.140 20 0 EGADMP COCc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000279477389 275334006 /nfs/dbraw/zinc/33/40/06/275334006.db2.gz SVUXPJDYKVQUIO-UHFFFAOYSA-N 2 1 329.444 3.338 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](c3ccccc3)C(C)C)C2)CC1 ZINC000279510304 275336255 /nfs/dbraw/zinc/33/62/55/275336255.db2.gz AIOJEXDUTCSCKE-RTWAWAEBSA-N 2 1 329.532 3.138 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000354362490 276043992 /nfs/dbraw/zinc/04/39/92/276043992.db2.gz WTBJRZCMKVSHEB-PMACEKPBSA-N 2 1 345.531 3.276 20 0 EGADMP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000286954855 276062588 /nfs/dbraw/zinc/06/25/88/276062588.db2.gz HPINYDPGHUAFBX-VQIMIIECSA-N 2 1 346.519 3.109 20 0 EGADMP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000287227297 276098572 /nfs/dbraw/zinc/09/85/72/276098572.db2.gz XXWFBTLMKWNUIE-TXPKVOOTSA-N 2 1 346.519 3.108 20 0 EGADMP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)C(C)C ZINC000354305542 276129501 /nfs/dbraw/zinc/12/95/01/276129501.db2.gz ZPCAQIHSLPSIKS-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)C(C)C ZINC000354305542 276129502 /nfs/dbraw/zinc/12/95/02/276129502.db2.gz ZPCAQIHSLPSIKS-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C(C)C ZINC000354305542 276129503 /nfs/dbraw/zinc/12/95/03/276129503.db2.gz ZPCAQIHSLPSIKS-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C(C)C ZINC000354305542 276129504 /nfs/dbraw/zinc/12/95/04/276129504.db2.gz ZPCAQIHSLPSIKS-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP COc1ccncc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000287971237 276173313 /nfs/dbraw/zinc/17/33/13/276173313.db2.gz ZKMNLQRFOCSBKV-FUHWJXTLSA-N 2 1 325.456 3.090 20 0 EGADMP COc1ccncc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287971237 276173314 /nfs/dbraw/zinc/17/33/14/276173314.db2.gz ZKMNLQRFOCSBKV-FUHWJXTLSA-N 2 1 325.456 3.090 20 0 EGADMP CCN1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)[C@@H](C)C1 ZINC000343468116 276253228 /nfs/dbraw/zinc/25/32/28/276253228.db2.gz HDHXPQRDRFHNDK-WFXMLNOXSA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@H+]1C[C@H](NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)[C@@H](C)C1 ZINC000343468116 276253229 /nfs/dbraw/zinc/25/32/29/276253229.db2.gz HDHXPQRDRFHNDK-WFXMLNOXSA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@@H+]1C[C@H](NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)[C@@H](C)C1 ZINC000343468116 276253230 /nfs/dbraw/zinc/25/32/30/276253230.db2.gz HDHXPQRDRFHNDK-WFXMLNOXSA-N 2 1 329.532 3.348 20 0 EGADMP CC[NH+]1C[C@H](NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)[C@@H](C)C1 ZINC000343468116 276253232 /nfs/dbraw/zinc/25/32/32/276253232.db2.gz HDHXPQRDRFHNDK-WFXMLNOXSA-N 2 1 329.532 3.348 20 0 EGADMP CC[NH+]1C[C@H](NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)[C@@H](C)C1 ZINC000343468116 276253233 /nfs/dbraw/zinc/25/32/33/276253233.db2.gz HDHXPQRDRFHNDK-WFXMLNOXSA-N 2 1 329.532 3.348 20 0 EGADMP Cc1ccncc1CCC[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000289061035 276285735 /nfs/dbraw/zinc/28/57/35/276285735.db2.gz BYTBXFIHDZIRMY-OAQYLSRUSA-N 2 1 337.511 3.477 20 0 EGADMP CC[NH+](CC)[C@@H](CNc1cc(C)[nH+]c(C)n1)c1cccc(OC)c1 ZINC000353347100 276336428 /nfs/dbraw/zinc/33/64/28/276336428.db2.gz NVPGJZVMNCDLIC-SFHVURJKSA-N 2 1 328.460 3.019 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000289477206 276344858 /nfs/dbraw/zinc/34/48/58/276344858.db2.gz JQEMYWQOJIPNCN-LLVKDONJSA-N 2 1 327.350 3.342 20 0 EGADMP COCCOCc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000289770599 276391386 /nfs/dbraw/zinc/39/13/86/276391386.db2.gz PGPNIBFFDBDJMG-HXUWFJFHSA-N 2 1 334.504 3.060 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)N[C@H](C)C[NH+]1CCCCCC1)c1ccccc1 ZINC000359314888 279043107 /nfs/dbraw/zinc/04/31/07/279043107.db2.gz DFZQBHHTXWTXPF-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H](C)C[NH+]1CCCCCC1)c1ccccc1 ZINC000359314888 279043109 /nfs/dbraw/zinc/04/31/09/279043109.db2.gz DFZQBHHTXWTXPF-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000338112305 279137896 /nfs/dbraw/zinc/13/78/96/279137896.db2.gz LBBCFWCLYVOYOY-KSZLIROESA-N 2 1 345.531 3.406 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1)C1CC1 ZINC000338023061 279235803 /nfs/dbraw/zinc/23/58/03/279235803.db2.gz JSSBWMYJOSARCU-QGZVFWFLSA-N 2 1 343.515 3.275 20 0 EGADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000370074249 280093991 /nfs/dbraw/zinc/09/39/91/280093991.db2.gz KIOIHLCGNQZLOY-GOSISDBHSA-N 2 1 347.547 3.118 20 0 EGADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000370074249 280093993 /nfs/dbraw/zinc/09/39/93/280093993.db2.gz KIOIHLCGNQZLOY-GOSISDBHSA-N 2 1 347.547 3.118 20 0 EGADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000370074249 280093996 /nfs/dbraw/zinc/09/39/96/280093996.db2.gz KIOIHLCGNQZLOY-GOSISDBHSA-N 2 1 347.547 3.118 20 0 EGADMP Cc1nc2c(s1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@H]3O)CC1)CCC2 ZINC000305768515 282042930 /nfs/dbraw/zinc/04/29/30/282042930.db2.gz KWVNKNOANVOEIH-FGTMMUONSA-N 2 1 349.544 3.186 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ncc(Br)cc1F ZINC000414198750 309066424 /nfs/dbraw/zinc/06/64/24/309066424.db2.gz WJUAUMZMCBBWCI-NEPJUHHUSA-N 2 1 344.272 3.366 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000414175924 309064897 /nfs/dbraw/zinc/06/48/97/309064897.db2.gz ISZXCTKGJIRMKA-MSOLQXFVSA-N 3 1 333.520 3.010 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414183866 309065413 /nfs/dbraw/zinc/06/54/13/309065413.db2.gz NZASDMNXIWWJKC-ZWKOTPCHSA-N 3 1 333.520 3.010 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000414191388 309065880 /nfs/dbraw/zinc/06/58/80/309065880.db2.gz SLDMLVBHRKWWSE-HUUCEWRRSA-N 2 1 329.488 3.299 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000414191429 309065922 /nfs/dbraw/zinc/06/59/22/309065922.db2.gz SMAFELWXZIKQMB-HOTGVXAUSA-N 2 1 344.503 3.353 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC(OC)CC1 ZINC000414275038 309070137 /nfs/dbraw/zinc/07/01/37/309070137.db2.gz VUVHRNQNBLZNMO-WCHWRFHJSA-N 2 1 346.515 3.071 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC(OC)CC1 ZINC000414275038 309070138 /nfs/dbraw/zinc/07/01/38/309070138.db2.gz VUVHRNQNBLZNMO-WCHWRFHJSA-N 2 1 346.515 3.071 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)nn1C ZINC000414289653 309070800 /nfs/dbraw/zinc/07/08/00/309070800.db2.gz RRCHJTXXCREERB-MRXNPFEDSA-N 2 1 326.488 3.393 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)nn1C ZINC000414289653 309070801 /nfs/dbraw/zinc/07/08/01/309070801.db2.gz RRCHJTXXCREERB-MRXNPFEDSA-N 2 1 326.488 3.393 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000248510515 308004653 /nfs/dbraw/zinc/00/46/53/308004653.db2.gz ZYIICLLUULLJLW-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000248748864 308010650 /nfs/dbraw/zinc/01/06/50/308010650.db2.gz FWVUPAXBFFUHIG-KZNAEPCWSA-N 2 1 348.535 3.098 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000248748864 308010653 /nfs/dbraw/zinc/01/06/53/308010653.db2.gz FWVUPAXBFFUHIG-KZNAEPCWSA-N 2 1 348.535 3.098 20 0 EGADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccnn1C ZINC000248880218 308014175 /nfs/dbraw/zinc/01/41/75/308014175.db2.gz KLXNMOCHKYLKDP-PFRQMTDMSA-N 2 1 326.488 3.227 20 0 EGADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccnn1C ZINC000248880218 308014176 /nfs/dbraw/zinc/01/41/76/308014176.db2.gz KLXNMOCHKYLKDP-PFRQMTDMSA-N 2 1 326.488 3.227 20 0 EGADMP C[C@@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000293259964 308114750 /nfs/dbraw/zinc/11/47/50/308114750.db2.gz GBQCPJUMCYFIOY-IAGOWNOFSA-N 2 1 331.504 3.304 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000293259964 308114752 /nfs/dbraw/zinc/11/47/52/308114752.db2.gz GBQCPJUMCYFIOY-IAGOWNOFSA-N 2 1 331.504 3.304 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000293259964 308114753 /nfs/dbraw/zinc/11/47/53/308114753.db2.gz GBQCPJUMCYFIOY-IAGOWNOFSA-N 2 1 331.504 3.304 20 0 EGADMP C[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C1CC[NH2+]CC1 ZINC000414658158 309094092 /nfs/dbraw/zinc/09/40/92/309094092.db2.gz PZIMQCIGRAZKID-UHFFFAOYSA-N 2 1 339.487 3.244 20 0 EGADMP C[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C1CC[NH2+]CC1 ZINC000414658158 309094093 /nfs/dbraw/zinc/09/40/93/309094093.db2.gz PZIMQCIGRAZKID-UHFFFAOYSA-N 2 1 339.487 3.244 20 0 EGADMP C[C@H]1C[C@H](C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)CC[NH2+]1 ZINC000414704664 309096326 /nfs/dbraw/zinc/09/63/26/309096326.db2.gz MQUSUXNCPOXOMJ-DLBZAZTESA-N 2 1 326.488 3.329 20 0 EGADMP COc1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414715017 309096912 /nfs/dbraw/zinc/09/69/12/309096912.db2.gz WYOYRXUZSLVKAZ-SCTDSRPQSA-N 2 1 332.488 3.064 20 0 EGADMP COc1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414715020 309096932 /nfs/dbraw/zinc/09/69/32/309096932.db2.gz WYOYRXUZSLVKAZ-YQVWRLOYSA-N 2 1 332.488 3.064 20 0 EGADMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)c(SC)cc1OC ZINC000414715978 309097085 /nfs/dbraw/zinc/09/70/85/309097085.db2.gz WJJJDCUYAUDFBR-UONOGXRCSA-N 2 1 338.517 3.246 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000414719124 309097363 /nfs/dbraw/zinc/09/73/63/309097363.db2.gz XKOBAIWAZUZJIC-IBGZPJMESA-N 2 1 344.503 3.310 20 0 EGADMP C[C@H]1C[C@@H](C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC[NH2+]1 ZINC000414752656 309098821 /nfs/dbraw/zinc/09/88/21/309098821.db2.gz LAEBKLSWJJAYSH-FPOVZHCZSA-N 3 1 341.543 3.363 20 0 EGADMP FC(F)(F)COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414772315 309100037 /nfs/dbraw/zinc/10/00/37/309100037.db2.gz UBABFOZFRLPXQC-GASCZTMLSA-N 2 1 328.378 3.059 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC[NH2+]CC1 ZINC000414781758 309100680 /nfs/dbraw/zinc/10/06/80/309100680.db2.gz CRUHYZZVOACXAI-UHFFFAOYSA-N 2 1 332.879 3.043 20 0 EGADMP FC(F)(F)Oc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414783195 309100862 /nfs/dbraw/zinc/10/08/62/309100862.db2.gz PNUSGQNTZLNWJC-ZIAGYGMSSA-N 2 1 328.378 3.407 20 0 EGADMP CC(C)([NH3+])C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000414806754 309102527 /nfs/dbraw/zinc/10/25/27/309102527.db2.gz QGKFWXGSXIDVPL-UHFFFAOYSA-N 2 1 340.496 3.487 20 0 EGADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000414805971 309102551 /nfs/dbraw/zinc/10/25/51/309102551.db2.gz QALOWPDETSOVHE-HIFRSBDPSA-N 2 1 345.468 3.146 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414812653 309103115 /nfs/dbraw/zinc/10/31/15/309103115.db2.gz LDWJJTSGURKMIK-OAHLLOKOSA-N 2 1 337.895 3.052 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414814533 309103301 /nfs/dbraw/zinc/10/33/01/309103301.db2.gz NYRWDTVCLFUZEH-PBHICJAKSA-N 2 1 339.911 3.184 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414832523 309104441 /nfs/dbraw/zinc/10/44/41/309104441.db2.gz QRIFKPZXRMGFHD-MRXNPFEDSA-N 2 1 326.488 3.259 20 0 EGADMP COc1cc(C[NH2+]CC2([NH3+])CCCCC2)ccc1OCC(F)(F)F ZINC000414847627 309105362 /nfs/dbraw/zinc/10/53/62/309105362.db2.gz VGHFBEQKSBUQEG-UHFFFAOYSA-N 2 1 346.393 3.388 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@H]3C[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000411382075 308936690 /nfs/dbraw/zinc/93/66/90/308936690.db2.gz DHNOBBGSDGZPIZ-SFTDATJTSA-N 2 1 345.506 3.172 20 0 EGADMP CN(C)c1cc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc[nH+]1 ZINC000412160983 308972270 /nfs/dbraw/zinc/97/22/70/308972270.db2.gz KYPVAAKMTPAGCB-UHFFFAOYSA-N 2 1 338.455 3.386 20 0 EGADMP CCOc1c(OC)cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1OC ZINC000414856800 309105963 /nfs/dbraw/zinc/10/59/63/309105963.db2.gz ZQBVAZASKBQNRW-MRXNPFEDSA-N 2 1 336.476 3.100 20 0 EGADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc(Cl)c1OC ZINC000414856808 309105989 /nfs/dbraw/zinc/10/59/89/309105989.db2.gz ZQBXPVFEIYQHDM-OAHLLOKOSA-N 2 1 326.868 3.354 20 0 EGADMP [NH3+][C@@H](C[NH2+]Cc1ccc(Br)c(Br)c1)C1CC1 ZINC000414892375 309107803 /nfs/dbraw/zinc/10/78/03/309107803.db2.gz JBIDARNYPKLXKN-LBPRGKRZSA-N 2 1 348.082 3.039 20 0 EGADMP C[C@@]1(C[NH2+]Cc2ccccc2OCc2cccnc2)CCC[NH2+]C1 ZINC000414898646 309108070 /nfs/dbraw/zinc/10/80/70/309108070.db2.gz BQSIFVYVUQNGHK-HXUWFJFHSA-N 2 1 325.456 3.140 20 0 EGADMP CCOc1cccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1OC(F)F ZINC000414904233 309108413 /nfs/dbraw/zinc/10/84/13/309108413.db2.gz NFDGTQXSADIOIW-KRWDZBQOSA-N 2 1 328.403 3.166 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000414976864 309112462 /nfs/dbraw/zinc/11/24/62/309112462.db2.gz QNFSLHMPNKXGEE-HNNXBMFYSA-N 2 1 326.868 3.225 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000414976866 309112464 /nfs/dbraw/zinc/11/24/64/309112464.db2.gz QNFSLHMPNKXGEE-OAHLLOKOSA-N 2 1 326.868 3.225 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000414982045 309112811 /nfs/dbraw/zinc/11/28/11/309112811.db2.gz YEZASUOQTCXKLM-BQJUDKOJSA-N 3 1 327.516 3.019 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000414983260 309112821 /nfs/dbraw/zinc/11/28/21/309112821.db2.gz ZGJUOUQHAJTAFA-LJQANCHMSA-N 2 1 325.456 3.235 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000415010040 309114021 /nfs/dbraw/zinc/11/40/21/309114021.db2.gz URXZVRVCTCBCKK-SPYJTGKRSA-N 3 1 327.516 3.289 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000415010040 309114022 /nfs/dbraw/zinc/11/40/22/309114022.db2.gz URXZVRVCTCBCKK-SPYJTGKRSA-N 2 1 327.516 3.289 20 0 EGADMP COc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)ccc1OCc1ccncc1 ZINC000415052452 309116748 /nfs/dbraw/zinc/11/67/48/309116748.db2.gz HNVFIQUVTHENJM-LJQANCHMSA-N 2 1 343.471 3.132 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415059138 309117377 /nfs/dbraw/zinc/11/73/77/309117377.db2.gz WSHZTZFXYUEWFA-UZLBHIALSA-N 2 1 342.462 3.284 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415062488 309117695 /nfs/dbraw/zinc/11/76/95/309117695.db2.gz FJDHDZSRQSAYRX-CXAGYDPISA-N 2 1 337.895 3.473 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415062491 309117754 /nfs/dbraw/zinc/11/77/54/309117754.db2.gz FJDHDZSRQSAYRX-SUMWQHHRSA-N 2 1 337.895 3.473 20 0 EGADMP Clc1ccc(CN2CCC([NH2+][C@H]3CCC[NH2+]C3)CC2)cc1Cl ZINC000415075598 309118588 /nfs/dbraw/zinc/11/85/88/309118588.db2.gz BTLLQYUSANHZSV-HNNXBMFYSA-N 2 1 342.314 3.299 20 0 EGADMP COc1cccc(C([NH2+]C[C@@H]2CCC[NH2+]C2)c2cccc(OC)c2)c1 ZINC000415085439 309119297 /nfs/dbraw/zinc/11/92/97/309119297.db2.gz QOOKZMBHMPYJEW-MRXNPFEDSA-N 2 1 340.467 3.382 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCCCc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000415102987 309120379 /nfs/dbraw/zinc/12/03/79/309120379.db2.gz FFOQXOHBOWFPEH-AWEZNQCLSA-N 2 1 331.287 3.366 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cc2)cs1 ZINC000415134810 309122971 /nfs/dbraw/zinc/12/29/71/309122971.db2.gz WEVNEFAIAJBSLB-RHSMWYFYSA-N 2 1 345.512 3.447 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@H]1C[NH3+] ZINC000415138287 309123279 /nfs/dbraw/zinc/12/32/79/309123279.db2.gz YUXZPYKIYJAYON-VQIMIIECSA-N 2 1 325.456 3.077 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000415921639 309148893 /nfs/dbraw/zinc/14/88/93/309148893.db2.gz RWRPHHWKJDKVIR-INIZCTEOSA-N 2 1 340.471 3.048 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000415935191 309149875 /nfs/dbraw/zinc/14/98/75/309149875.db2.gz RGDRCFGSLDSITR-KRWDZBQOSA-N 2 1 346.519 3.430 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1Cl ZINC000415962627 309151484 /nfs/dbraw/zinc/15/14/84/309151484.db2.gz UCIVLCMAZIZPOD-QGZVFWFLSA-N 2 1 346.862 3.223 20 0 EGADMP C[C@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC000416239252 309165186 /nfs/dbraw/zinc/16/51/86/309165186.db2.gz KJPQXJVZXHXISU-XLIONFOSSA-N 2 1 343.515 3.012 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000418127729 309236649 /nfs/dbraw/zinc/23/66/49/309236649.db2.gz AHDALZMNWDJVDM-QGZVFWFLSA-N 2 1 339.474 3.074 20 0 EGADMP COc1ccc(CC[C@H]2CCCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1OC ZINC000420300381 309280123 /nfs/dbraw/zinc/28/01/23/309280123.db2.gz KFAFHQYAXIMDLZ-RTBURBONSA-N 2 1 346.515 3.491 20 0 EGADMP C[C@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@H]1c1ccccc1 ZINC000420302505 309280362 /nfs/dbraw/zinc/28/03/62/309280362.db2.gz MKCBAKRCRUFOEE-XGARDCMYSA-N 2 1 338.495 3.043 20 0 EGADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)s1 ZINC000420305314 309280618 /nfs/dbraw/zinc/28/06/18/309280618.db2.gz PJGLWIVXHHYJBM-BZSNNMDCSA-N 2 1 330.497 3.124 20 0 EGADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H]2CCCC[C@H]12 ZINC000420305962 309280639 /nfs/dbraw/zinc/28/06/39/309280639.db2.gz QENOCOMUIHXTJX-KYRVCDIISA-N 2 1 349.563 3.170 20 0 EGADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]2CCCC[C@@H]12 ZINC000420305940 309280823 /nfs/dbraw/zinc/28/08/23/309280823.db2.gz QENOCOMUIHXTJX-GFLQDLJJSA-N 2 1 349.563 3.170 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420308289 309280968 /nfs/dbraw/zinc/28/09/68/309280968.db2.gz NJSBGQJWUUWSHC-JLJPHGGASA-N 2 1 342.439 3.169 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000420311099 309281111 /nfs/dbraw/zinc/28/11/11/309281111.db2.gz MZUCRHLATFDJTR-CQSZACIVSA-N 2 1 330.428 3.183 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000420311099 309281112 /nfs/dbraw/zinc/28/11/12/309281112.db2.gz MZUCRHLATFDJTR-CQSZACIVSA-N 2 1 330.428 3.183 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420320018 309281812 /nfs/dbraw/zinc/28/18/12/309281812.db2.gz QAFLMJRXYZTDNR-GOSISDBHSA-N 2 1 326.488 3.229 20 0 EGADMP CC(C)(C)c1cccc(OCC[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420327663 309282474 /nfs/dbraw/zinc/28/24/74/309282474.db2.gz LQVXGFLJHCBMEN-GOSISDBHSA-N 2 1 346.515 3.050 20 0 EGADMP Clc1ccc(-n2ccc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000420331426 309282568 /nfs/dbraw/zinc/28/25/68/309282568.db2.gz DWZKFUZRSJZHDC-IBGZPJMESA-N 2 1 344.890 3.490 20 0 EGADMP Clc1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420335364 309282899 /nfs/dbraw/zinc/28/28/99/309282899.db2.gz HFAHYHOCYHWJLE-LSDHHAIUSA-N 2 1 346.862 3.212 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336656 309282928 /nfs/dbraw/zinc/28/29/28/309282928.db2.gz IZADOGIBMDCONK-QZTJIDSGSA-N 2 1 343.515 3.378 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000420419810 309287214 /nfs/dbraw/zinc/28/72/14/309287214.db2.gz XUDMHJALZVKVEJ-APWZRJJASA-N 2 1 337.467 3.356 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000420419810 309287215 /nfs/dbraw/zinc/28/72/15/309287215.db2.gz XUDMHJALZVKVEJ-APWZRJJASA-N 2 1 337.467 3.356 20 0 EGADMP CC(C)(C)OC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420927584 309301604 /nfs/dbraw/zinc/30/16/04/309301604.db2.gz AJJVXDMHMAFSOZ-UHFFFAOYSA-N 2 1 346.515 3.298 20 0 EGADMP c1cncc([C@H]2CCC[N@@H+]2Cc2cccc(CN3CCOCC3)c2)c1 ZINC000420933344 309302122 /nfs/dbraw/zinc/30/21/22/309302122.db2.gz ICGZBYOYQVRLTI-OAQYLSRUSA-N 2 1 337.467 3.251 20 0 EGADMP c1cc(C2=CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)ccn1 ZINC000420966042 309304786 /nfs/dbraw/zinc/30/47/86/309304786.db2.gz QGBRCRDGMFYAQF-UHFFFAOYSA-N 2 1 349.478 3.203 20 0 EGADMP c1cc(C2=CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)ccn1 ZINC000420966042 309304787 /nfs/dbraw/zinc/30/47/87/309304787.db2.gz QGBRCRDGMFYAQF-UHFFFAOYSA-N 2 1 349.478 3.203 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000420965011 309304934 /nfs/dbraw/zinc/30/49/34/309304934.db2.gz OJWLKKOKKXVUMA-HXUWFJFHSA-N 2 1 346.515 3.298 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000420965011 309304935 /nfs/dbraw/zinc/30/49/35/309304935.db2.gz OJWLKKOKKXVUMA-HXUWFJFHSA-N 2 1 346.515 3.298 20 0 EGADMP c1cc(C[N@@H+]2CCSC[C@@H]2C2CCC2)ccc1C[NH+]1CCOCC1 ZINC000420982371 309305634 /nfs/dbraw/zinc/30/56/34/309305634.db2.gz ZZLSOMGJRNYURR-HXUWFJFHSA-N 2 1 346.540 3.236 20 0 EGADMP c1cc(C[N@H+]2CCSC[C@@H]2C2CCC2)ccc1C[NH+]1CCOCC1 ZINC000420982371 309305635 /nfs/dbraw/zinc/30/56/35/309305635.db2.gz ZZLSOMGJRNYURR-HXUWFJFHSA-N 2 1 346.540 3.236 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3ccc(F)cc3)CC2)CC1 ZINC000420981262 309305646 /nfs/dbraw/zinc/30/56/46/309305646.db2.gz MWSXXNLPZSFHMT-QGZVFWFLSA-N 2 1 333.495 3.379 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3scnc3C3CC3)CC2)CC1 ZINC000421374062 309321483 /nfs/dbraw/zinc/32/14/83/309321483.db2.gz NCMDANLKSLJJRF-UHFFFAOYSA-N 2 1 348.560 3.013 20 0 EGADMP COC1([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCCC1 ZINC000421826141 309341819 /nfs/dbraw/zinc/34/18/19/309341819.db2.gz RCKNLXLFKCUESK-UYAOXDASSA-N 2 1 330.516 3.488 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421849248 309343240 /nfs/dbraw/zinc/34/32/40/309343240.db2.gz BMECSZOIRSEYTD-TZIWHRDSSA-N 2 1 335.495 3.441 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@H]1C[NH3+] ZINC000422563643 309361781 /nfs/dbraw/zinc/36/17/81/309361781.db2.gz UAQXMHQLQLPTAP-FUHIMQAGSA-N 2 1 339.483 3.466 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)ccc2o1 ZINC000422637396 309363061 /nfs/dbraw/zinc/36/30/61/309363061.db2.gz OOHNPQTYVHEFML-ZENOOKHLSA-N 2 1 330.428 3.025 20 0 EGADMP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)N[C@H]1CCC[NH2+]CC1 ZINC000422725701 309365169 /nfs/dbraw/zinc/36/51/69/309365169.db2.gz CAUMAQNCMWEYDF-VQTJNVASSA-N 2 1 329.532 3.191 20 0 EGADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)N[C@H]1CCC[NH2+]CC1 ZINC000422725701 309365170 /nfs/dbraw/zinc/36/51/70/309365170.db2.gz CAUMAQNCMWEYDF-VQTJNVASSA-N 2 1 329.532 3.191 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422730955 309365626 /nfs/dbraw/zinc/36/56/26/309365626.db2.gz MWLUOGZXTRXFLS-SJORKVTESA-N 2 1 342.314 3.427 20 0 EGADMP CC1CCN([C@H](C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c2cccs2)CC1 ZINC000422747362 309366233 /nfs/dbraw/zinc/36/62/33/309366233.db2.gz PYZOIUCBIJAUJU-FGTMMUONSA-N 2 1 335.561 3.499 20 0 EGADMP COC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422762081 309367086 /nfs/dbraw/zinc/36/70/86/309367086.db2.gz NMULSOORNBMEMO-INWMFGNUSA-N 2 1 330.394 3.371 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]Cc3ccnc(N4CCCC4)c3)CC[NH2+]2)cc1 ZINC000422816240 309370001 /nfs/dbraw/zinc/37/00/01/309370001.db2.gz DTFUUDRFQQSMGJ-UXHICEINSA-N 2 1 336.483 3.265 20 0 EGADMP c1ccc([C@H]2C[C@@H]([NH2+]Cc3ccc(N4CCCC4)nc3)CC[NH2+]2)cc1 ZINC000422825112 309370277 /nfs/dbraw/zinc/37/02/77/309370277.db2.gz IYGGAKJVVGWXCS-VQTJNVASSA-N 2 1 336.483 3.265 20 0 EGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422827421 309370576 /nfs/dbraw/zinc/37/05/76/309370576.db2.gz DPSYTQZMBCTMLK-RBUKOAKNSA-N 2 1 326.488 3.123 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000422829847 309370710 /nfs/dbraw/zinc/37/07/10/309370710.db2.gz VBAZRXWNWODMRQ-IAGOWNOFSA-N 2 1 340.515 3.410 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000422829847 309370711 /nfs/dbraw/zinc/37/07/11/309370711.db2.gz VBAZRXWNWODMRQ-IAGOWNOFSA-N 3 1 340.515 3.410 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000422829847 309370712 /nfs/dbraw/zinc/37/07/12/309370712.db2.gz VBAZRXWNWODMRQ-IAGOWNOFSA-N 3 1 340.515 3.410 20 0 EGADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)cc2)n1 ZINC000422863606 309372485 /nfs/dbraw/zinc/37/24/85/309372485.db2.gz PCQGEUMPTUALED-PXNSSMCTSA-N 2 1 326.488 3.152 20 0 EGADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000422862052 309372551 /nfs/dbraw/zinc/37/25/51/309372551.db2.gz NHHAOFWCCUWHPB-KBXCAEBGSA-N 2 1 329.419 3.491 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422878686 309373376 /nfs/dbraw/zinc/37/33/76/309373376.db2.gz JPAMLSYJIHDWID-OPYAIIAOSA-N 3 1 329.532 3.396 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422878686 309373377 /nfs/dbraw/zinc/37/33/77/309373377.db2.gz JPAMLSYJIHDWID-OPYAIIAOSA-N 2 1 329.532 3.396 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422878686 309373378 /nfs/dbraw/zinc/37/33/78/309373378.db2.gz JPAMLSYJIHDWID-OPYAIIAOSA-N 2 1 329.532 3.396 20 0 EGADMP CC[C@H]([NH2+]CCc1nc2ccccc2n1C(F)F)[C@H]1CCCC[NH2+]1 ZINC000422914726 309376030 /nfs/dbraw/zinc/37/60/30/309376030.db2.gz VSDNSIIVKNHAKB-UONOGXRCSA-N 2 1 336.430 3.484 20 0 EGADMP COc1cccc(COCC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000423003018 309380348 /nfs/dbraw/zinc/38/03/48/309380348.db2.gz KNONXZZNMZPZNV-FPOVZHCZSA-N 2 1 340.467 3.295 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423003010 309380449 /nfs/dbraw/zinc/38/04/49/309380449.db2.gz KNKORODQQWWIMV-KOUHRCEDSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCCCN1 ZINC000423003010 309380450 /nfs/dbraw/zinc/38/04/50/309380450.db2.gz KNKORODQQWWIMV-KOUHRCEDSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCN1 ZINC000423003010 309380451 /nfs/dbraw/zinc/38/04/51/309380451.db2.gz KNKORODQQWWIMV-KOUHRCEDSA-N 2 1 329.532 3.407 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423024878 309381515 /nfs/dbraw/zinc/38/15/15/309381515.db2.gz NAJXTBQSRLBNIU-DQYPLSBCSA-N 2 1 325.859 3.178 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000423066781 309384220 /nfs/dbraw/zinc/38/42/20/309384220.db2.gz XVXJBSINZFNUDD-LLVKDONJSA-N 2 1 343.862 3.240 20 0 EGADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000423073808 309384561 /nfs/dbraw/zinc/38/45/61/309384561.db2.gz JWRFGOCHJAKZIO-IFMALSPDSA-N 2 1 349.478 3.306 20 0 EGADMP Clc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423143690 309388250 /nfs/dbraw/zinc/38/82/50/309388250.db2.gz DTWJXMAYICCNPK-FUUSMOTLSA-N 2 1 334.891 3.333 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1OC ZINC000423268923 309393345 /nfs/dbraw/zinc/39/33/45/309393345.db2.gz VIFZOOLKXVUYAO-YJBOKZPZSA-N 2 1 334.504 3.440 20 0 EGADMP CCCC[C@H](C[NH3+])N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423300611 309394427 /nfs/dbraw/zinc/39/44/27/309394427.db2.gz SAUXCFGSCDGXDK-MXEMCNAFSA-N 2 1 329.532 3.394 20 0 EGADMP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000423320121 309394904 /nfs/dbraw/zinc/39/49/04/309394904.db2.gz DCFVMCJXIAHAKT-GPMSIDNRSA-N 2 1 329.488 3.388 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423322345 309395100 /nfs/dbraw/zinc/39/51/00/309395100.db2.gz GYNWZLCGLXWPLE-IEBWSBKVSA-N 2 1 345.531 3.483 20 0 EGADMP CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC[NH2+]CC1 ZINC000423326377 309395364 /nfs/dbraw/zinc/39/53/64/309395364.db2.gz KLGFOVOAXMAKET-HBMCJLEFSA-N 3 1 341.543 3.409 20 0 EGADMP CC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)CC[NH2+]CC1 ZINC000423326377 309395365 /nfs/dbraw/zinc/39/53/65/309395365.db2.gz KLGFOVOAXMAKET-HBMCJLEFSA-N 2 1 341.543 3.409 20 0 EGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423388213 309398267 /nfs/dbraw/zinc/39/82/67/309398267.db2.gz IHRLGRQNPMFGRB-ZQOQTTQJSA-N 3 1 341.543 3.265 20 0 EGADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423388213 309398268 /nfs/dbraw/zinc/39/82/68/309398268.db2.gz IHRLGRQNPMFGRB-ZQOQTTQJSA-N 2 1 341.543 3.265 20 0 EGADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423388213 309398269 /nfs/dbraw/zinc/39/82/69/309398269.db2.gz IHRLGRQNPMFGRB-ZQOQTTQJSA-N 2 1 341.543 3.265 20 0 EGADMP C[C@H](c1ccc(F)cc1F)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424295852 309437058 /nfs/dbraw/zinc/43/70/58/309437058.db2.gz RKDKWLNTAUYPBH-GFCCVEGCSA-N 2 1 332.398 3.163 20 0 EGADMP C[C@@H](c1c(F)cccc1F)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424297584 309437092 /nfs/dbraw/zinc/43/70/92/309437092.db2.gz SZMNIDKAAKJTTO-LBPRGKRZSA-N 2 1 332.398 3.163 20 0 EGADMP COc1ccccc1-n1nccc1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000430033244 309595255 /nfs/dbraw/zinc/59/52/55/309595255.db2.gz JNAHUPUDQDMCCU-QGZVFWFLSA-N 2 1 342.487 3.235 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449070516 310034575 /nfs/dbraw/zinc/03/45/75/310034575.db2.gz DAHAERZVZBOZGZ-OAHLLOKOSA-N 2 1 329.444 3.169 20 0 EGADMP Cc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000449165572 310041787 /nfs/dbraw/zinc/04/17/87/310041787.db2.gz AFDIPKHGHDJLEL-VXKWHMMOSA-N 2 1 338.495 3.010 20 0 EGADMP Cc1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000449165572 310041788 /nfs/dbraw/zinc/04/17/88/310041788.db2.gz AFDIPKHGHDJLEL-VXKWHMMOSA-N 2 1 338.495 3.010 20 0 EGADMP Cn1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(-c2ccc(F)cc2)n1 ZINC000449282184 310049962 /nfs/dbraw/zinc/04/99/62/310049962.db2.gz GPRAVAKZEHVIKJ-SFHVURJKSA-N 2 1 330.451 3.142 20 0 EGADMP Cn1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(-c2ccc(F)cc2)n1 ZINC000449282184 310049963 /nfs/dbraw/zinc/04/99/63/310049963.db2.gz GPRAVAKZEHVIKJ-SFHVURJKSA-N 2 1 330.451 3.142 20 0 EGADMP C[C@H]([NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449515179 310068656 /nfs/dbraw/zinc/06/86/56/310068656.db2.gz ZPQBMAUJPJXAAT-HAFPXEGZSA-N 2 1 342.527 3.284 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCC[C@@H]3CCOC3)CC2)cc1 ZINC000449681784 310080612 /nfs/dbraw/zinc/08/06/12/310080612.db2.gz KOAGXFCQIUOPNR-GOSISDBHSA-N 2 1 334.479 3.239 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@@H]3C=CCCCCC3)C2)CC1 ZINC000451532463 310183350 /nfs/dbraw/zinc/18/33/50/310183350.db2.gz TYPLDNGETBBEIT-LEWJYISDSA-N 2 1 347.547 3.142 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@@H]3C=CCCCCC3)C2)CC1 ZINC000451532463 310183351 /nfs/dbraw/zinc/18/33/51/310183351.db2.gz TYPLDNGETBBEIT-LEWJYISDSA-N 2 1 347.547 3.142 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@@H]3C=CCCCCC3)C2)CC1 ZINC000451532463 310183352 /nfs/dbraw/zinc/18/33/52/310183352.db2.gz TYPLDNGETBBEIT-LEWJYISDSA-N 2 1 347.547 3.142 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@@H]3C=CCCCCC3)C2)CC1 ZINC000451532463 310183353 /nfs/dbraw/zinc/18/33/53/310183353.db2.gz TYPLDNGETBBEIT-LEWJYISDSA-N 2 1 347.547 3.142 20 0 EGADMP C(=C\C[N@H+]1CCSC[C@@H]1C1CC1)\C[NH+]1CCSC[C@@H]1C1CC1 ZINC000451646435 310191194 /nfs/dbraw/zinc/19/11/94/310191194.db2.gz FLPIVRVIZYQCGN-FKAFAWJWSA-N 2 1 338.586 3.197 20 0 EGADMP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000453132147 310260017 /nfs/dbraw/zinc/26/00/17/310260017.db2.gz XNUCPRXCFOLMPP-NCYKPQTJSA-N 2 1 328.500 3.180 20 0 EGADMP Cc1nnsc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453228262 310265215 /nfs/dbraw/zinc/26/52/15/310265215.db2.gz DOTDSTJECHCUOW-KURKYZTESA-N 2 1 342.512 3.379 20 0 EGADMP Cc1nnsc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453228262 310265216 /nfs/dbraw/zinc/26/52/16/310265216.db2.gz DOTDSTJECHCUOW-KURKYZTESA-N 2 1 342.512 3.379 20 0 EGADMP Cc1nnsc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453228132 310265243 /nfs/dbraw/zinc/26/52/43/310265243.db2.gz DOTDSTJECHCUOW-KSZLIROESA-N 2 1 342.512 3.379 20 0 EGADMP Cc1nnsc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453228132 310265244 /nfs/dbraw/zinc/26/52/44/310265244.db2.gz DOTDSTJECHCUOW-KSZLIROESA-N 2 1 342.512 3.379 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000453256706 310267215 /nfs/dbraw/zinc/26/72/15/310267215.db2.gz QZBHMJVTKGHNIC-UYAOXDASSA-N 2 1 338.499 3.300 20 0 EGADMP OCC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453350136 310272439 /nfs/dbraw/zinc/27/24/39/310272439.db2.gz PDNAZRZBVDUBIR-XUVXKRRUSA-N 2 1 328.500 3.182 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C1CCC1 ZINC000453369112 310273293 /nfs/dbraw/zinc/27/32/93/310273293.db2.gz FFYKWRMMCDTJNN-MXEMCNAFSA-N 2 1 328.500 3.180 20 0 EGADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455912345 310382069 /nfs/dbraw/zinc/38/20/69/310382069.db2.gz JEWIJWGOOBZKMB-MOPGFXCFSA-N 2 1 344.503 3.039 20 0 EGADMP C[C@@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000456266442 310395635 /nfs/dbraw/zinc/39/56/35/310395635.db2.gz IFXXDMSMRZPINA-QCUYGVNKSA-N 2 1 329.488 3.435 20 0 EGADMP C[C@@H]1CN(c2ccccc2C[NH2+]CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000459530668 310558750 /nfs/dbraw/zinc/55/87/50/310558750.db2.gz SKSZNXGZQPPESV-GOSISDBHSA-N 2 1 345.531 3.123 20 0 EGADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000482644909 310935491 /nfs/dbraw/zinc/93/54/91/310935491.db2.gz UOUPNBCOHDAODZ-ZACQAIPSSA-N 2 1 344.421 3.244 20 0 EGADMP C[C@@H](NCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000492353043 311241100 /nfs/dbraw/zinc/24/11/00/311241100.db2.gz QLABYVNVVYVSQU-SBHAEUEKSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H](NCC[NH+]1CCC[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492353043 311241101 /nfs/dbraw/zinc/24/11/01/311241101.db2.gz QLABYVNVVYVSQU-SBHAEUEKSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H](NCC[NH+]1CCC[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492353043 311241103 /nfs/dbraw/zinc/24/11/03/311241103.db2.gz QLABYVNVVYVSQU-SBHAEUEKSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492353043 311241104 /nfs/dbraw/zinc/24/11/04/311241104.db2.gz QLABYVNVVYVSQU-SBHAEUEKSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492353043 311241105 /nfs/dbraw/zinc/24/11/05/311241105.db2.gz QLABYVNVVYVSQU-SBHAEUEKSA-N 2 1 329.532 3.219 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000492695895 311281249 /nfs/dbraw/zinc/28/12/49/311281249.db2.gz KHWCPKOEYQDLME-IRXDYDNUSA-N 2 1 337.508 3.064 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCCOC1 ZINC000507480653 312074350 /nfs/dbraw/zinc/07/43/50/312074350.db2.gz PLAQHBUXSAZRMY-AEFFLSMTSA-N 2 1 334.479 3.237 20 0 EGADMP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000507503579 312075011 /nfs/dbraw/zinc/07/50/11/312075011.db2.gz AOQQISKNDLMORR-ZHHKINOHSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@H](CN1CCCCC1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000507503579 312075012 /nfs/dbraw/zinc/07/50/12/312075012.db2.gz AOQQISKNDLMORR-ZHHKINOHSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@H](CN1CCCCC1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000507503579 312075014 /nfs/dbraw/zinc/07/50/14/312075014.db2.gz AOQQISKNDLMORR-ZHHKINOHSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@H](C[NH+]1CCCCC1)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721536 312100551 /nfs/dbraw/zinc/10/05/51/312100551.db2.gz VHRHHDOEBOPNBT-SBHAEUEKSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](CN1CCCCC1)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508721536 312100553 /nfs/dbraw/zinc/10/05/53/312100553.db2.gz VHRHHDOEBOPNBT-SBHAEUEKSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H](CN1CCCCC1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721536 312100556 /nfs/dbraw/zinc/10/05/56/312100556.db2.gz VHRHHDOEBOPNBT-SBHAEUEKSA-N 3 1 329.532 3.361 20 0 EGADMP CC[N@@H+]1C[C@H](N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)[C@@H](C)C1 ZINC000510985041 312152249 /nfs/dbraw/zinc/15/22/49/312152249.db2.gz YZTMLYQEXHCLNN-IHPCNDPISA-N 2 1 329.532 3.217 20 0 EGADMP CC[NH+]1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@@H](C)C1 ZINC000510985041 312152251 /nfs/dbraw/zinc/15/22/51/312152251.db2.gz YZTMLYQEXHCLNN-IHPCNDPISA-N 2 1 329.532 3.217 20 0 EGADMP CC[NH+]1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@@H](C)C1 ZINC000510985041 312152254 /nfs/dbraw/zinc/15/22/54/312152254.db2.gz YZTMLYQEXHCLNN-IHPCNDPISA-N 2 1 329.532 3.217 20 0 EGADMP COC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000512294619 312182177 /nfs/dbraw/zinc/18/21/77/312182177.db2.gz JPVOTLHVLXSXKQ-SLFFLAALSA-N 2 1 328.500 3.446 20 0 EGADMP CC(C)CCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512428621 312185110 /nfs/dbraw/zinc/18/51/10/312185110.db2.gz WVWFQUIIZOVUHA-NRFANRHFSA-N 2 1 329.532 3.315 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOC1 ZINC000512610535 312190000 /nfs/dbraw/zinc/19/00/00/312190000.db2.gz BYQNKVYYFAFFQG-DOIPELPJSA-N 2 1 328.500 3.303 20 0 EGADMP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000512648717 312190959 /nfs/dbraw/zinc/19/09/59/312190959.db2.gz OTPMQOVUVNERCF-CIAFKFPVSA-N 2 1 341.543 3.361 20 0 EGADMP CC[N@@H+]1CCC[C@H](N[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000512648717 312190961 /nfs/dbraw/zinc/19/09/61/312190961.db2.gz OTPMQOVUVNERCF-CIAFKFPVSA-N 2 1 341.543 3.361 20 0 EGADMP CC[N@H+]1CCC[C@H](N[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000512648717 312190963 /nfs/dbraw/zinc/19/09/63/312190963.db2.gz OTPMQOVUVNERCF-CIAFKFPVSA-N 2 1 341.543 3.361 20 0 EGADMP CC[NH+]1CCC[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000512648717 312190965 /nfs/dbraw/zinc/19/09/65/312190965.db2.gz OTPMQOVUVNERCF-CIAFKFPVSA-N 2 1 341.543 3.361 20 0 EGADMP CC[NH+]1CCC[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000512648717 312190968 /nfs/dbraw/zinc/19/09/68/312190968.db2.gz OTPMQOVUVNERCF-CIAFKFPVSA-N 2 1 341.543 3.361 20 0 EGADMP CCn1nccc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513513239 312212091 /nfs/dbraw/zinc/21/20/91/312212091.db2.gz SBVYNFZZVMHZLY-IEBWSBKVSA-N 2 1 326.488 3.293 20 0 EGADMP C[C@@H]1C[N@@H+](CCCNc2cc[nH+]c3ccc(Cl)cc23)C[C@H](C)O1 ZINC000513645761 312214379 /nfs/dbraw/zinc/21/43/79/312214379.db2.gz PNZKAKHWYCXUQP-OKILXGFUSA-N 2 1 333.863 3.221 20 0 EGADMP C[C@@H]1C[N@H+](CCCNc2cc[nH+]c3ccc(Cl)cc23)C[C@H](C)O1 ZINC000513645761 312214381 /nfs/dbraw/zinc/21/43/81/312214381.db2.gz PNZKAKHWYCXUQP-OKILXGFUSA-N 2 1 333.863 3.221 20 0 EGADMP CC[NH+](CC)CCCCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000515072305 312264367 /nfs/dbraw/zinc/26/43/67/312264367.db2.gz ZHBVSXFPJZNOMZ-KRWDZBQOSA-N 2 1 339.911 3.181 20 0 EGADMP C[C@H]1C[NH+](CCCC[N@@H+]2C[C@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000516179443 312312810 /nfs/dbraw/zinc/31/28/10/312312810.db2.gz RPVTZMHKZMCNEN-ROUUACIJSA-N 2 1 336.520 3.053 20 0 EGADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(-c2ccnn2C)c1 ZINC000517248439 312372145 /nfs/dbraw/zinc/37/21/45/312372145.db2.gz NFVHMNXBUMVCAS-KRWDZBQOSA-N 2 1 326.488 3.215 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528479778 313100968 /nfs/dbraw/zinc/10/09/68/313100968.db2.gz XLIPKVSHEQQHNV-SFHVURJKSA-N 2 1 346.519 3.091 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528479778 313100971 /nfs/dbraw/zinc/10/09/71/313100971.db2.gz XLIPKVSHEQQHNV-SFHVURJKSA-N 2 1 346.519 3.091 20 0 EGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000533361979 313899282 /nfs/dbraw/zinc/89/92/82/313899282.db2.gz NSGLALUEHBRQND-BZSNNMDCSA-N 2 1 335.561 3.451 20 0 EGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000536496886 314118013 /nfs/dbraw/zinc/11/80/13/314118013.db2.gz JVVUQIPHUGWKON-IEBWSBKVSA-N 2 1 336.907 3.400 20 0 EGADMP CCc1cc(=O)[nH]c(C[NH+]2CCC(CC[N@@H+](CC)CC(C)C)CC2)n1 ZINC000537998107 314223347 /nfs/dbraw/zinc/22/33/47/314223347.db2.gz NBJNTDQFACJDFZ-UHFFFAOYSA-N 2 1 348.535 3.325 20 0 EGADMP CCc1cc(=O)[nH]c(C[NH+]2CCC(CC[N@H+](CC)CC(C)C)CC2)n1 ZINC000537998107 314223350 /nfs/dbraw/zinc/22/33/50/314223350.db2.gz NBJNTDQFACJDFZ-UHFFFAOYSA-N 2 1 348.535 3.325 20 0 EGADMP CO[C@@H]1[C@@H](C)[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1(C)C ZINC000538406866 314245230 /nfs/dbraw/zinc/24/52/30/314245230.db2.gz XAPNWMAYJKXANP-RYGJVYDSSA-N 2 1 348.506 3.482 20 0 EGADMP O[C@@]1(C[NH2+][C@H](c2ccccc2)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000539216473 314300906 /nfs/dbraw/zinc/30/09/06/314300906.db2.gz RLNXAPJULRHEJS-FGZHOGPDSA-N 2 1 336.479 3.364 20 0 EGADMP O[C@@]1(C[NH2+][C@H](c2ccccc2)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000539216473 314300908 /nfs/dbraw/zinc/30/09/08/314300908.db2.gz RLNXAPJULRHEJS-FGZHOGPDSA-N 2 1 336.479 3.364 20 0 EGADMP C[C@H](CCc1ccccc1)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000539405297 314312082 /nfs/dbraw/zinc/31/20/82/314312082.db2.gz SSVDIAAQWXKVFE-BVOGOJNSSA-N 2 1 330.516 3.439 20 0 EGADMP C[C@H](CCc1ccccc1)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000539405298 314312189 /nfs/dbraw/zinc/31/21/89/314312189.db2.gz SSVDIAAQWXKVFE-CWJKEVGVSA-N 2 1 330.516 3.439 20 0 EGADMP Cc1ccc(F)cc1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000539795896 314338583 /nfs/dbraw/zinc/33/85/83/314338583.db2.gz NUSNKSJHLADTNT-SFHVURJKSA-N 2 1 347.503 3.274 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000540150467 314365747 /nfs/dbraw/zinc/36/57/47/314365747.db2.gz DUMYNAMKPNADBJ-QQFBHYJXSA-N 2 1 336.442 3.180 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000134093690 454502514 /nfs/dbraw/zinc/50/25/14/454502514.db2.gz ZSOOGCPXJHZKOY-GASCZTMLSA-N 2 1 331.495 3.062 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000134093690 454502518 /nfs/dbraw/zinc/50/25/18/454502518.db2.gz ZSOOGCPXJHZKOY-GASCZTMLSA-N 2 1 331.495 3.062 20 0 EGADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000548634925 315029077 /nfs/dbraw/zinc/02/90/77/315029077.db2.gz JEUFDMPGTJKJOI-UJMXGEILSA-N 2 1 328.500 3.036 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000548884965 315058799 /nfs/dbraw/zinc/05/87/99/315058799.db2.gz ISBSFVWXENZALL-HBMCJLEFSA-N 2 1 327.516 3.102 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000551210928 315145214 /nfs/dbraw/zinc/14/52/14/315145214.db2.gz CSCBRZRVVOAHMJ-AZUAARDMSA-N 2 1 332.488 3.064 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CCCO1 ZINC000551517017 315156822 /nfs/dbraw/zinc/15/68/22/315156822.db2.gz ASDYCFZOINXFIO-YZGWKJHDSA-N 2 1 346.515 3.323 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CCCO1 ZINC000551517017 315156826 /nfs/dbraw/zinc/15/68/26/315156826.db2.gz ASDYCFZOINXFIO-YZGWKJHDSA-N 2 1 346.515 3.323 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)CC1 ZINC000553161884 315247943 /nfs/dbraw/zinc/24/79/43/315247943.db2.gz PHWBGOOZCFNNGA-UHFFFAOYSA-N 2 1 343.515 3.438 20 0 EGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)CC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000555559131 315390499 /nfs/dbraw/zinc/39/04/99/315390499.db2.gz IBIMULJZFLPTLB-ZWKOTPCHSA-N 2 1 345.531 3.497 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000564240706 316127716 /nfs/dbraw/zinc/12/77/16/316127716.db2.gz KXNHOHCPNZUCLG-SFHVURJKSA-N 2 1 327.472 3.168 20 0 EGADMP C[NH+]1CCN([C@@H](C[NH2+][C@H](C2CC2)C2CCC2)c2cccs2)CC1 ZINC000564292217 316131082 /nfs/dbraw/zinc/13/10/82/316131082.db2.gz WKYHNSYUVGAPAF-HKUYNNGSSA-N 2 1 333.545 3.205 20 0 EGADMP C[NH+]1CCN([C@H](C[NH2+][C@@H](C2CC2)C2CCC2)c2cccs2)CC1 ZINC000564292218 316131383 /nfs/dbraw/zinc/13/13/83/316131383.db2.gz WKYHNSYUVGAPAF-IEBWSBKVSA-N 2 1 333.545 3.205 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cncc(Br)c1 ZINC000565242584 316298072 /nfs/dbraw/zinc/29/80/72/316298072.db2.gz GFCNNOJEDIAJLI-VXGBXAGGSA-N 2 1 337.265 3.336 20 0 EGADMP COCCC[NH+]1CCC(NCc2[nH+]c(C(C)C)n3ccccc23)CC1 ZINC000566336068 316458297 /nfs/dbraw/zinc/45/82/97/316458297.db2.gz PNAPBHQNNUUWOR-UHFFFAOYSA-N 2 1 344.503 3.048 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000571536875 317214140 /nfs/dbraw/zinc/21/41/40/317214140.db2.gz ULXBLESPVWHFHZ-FQEVSTJZSA-N 2 1 335.451 3.024 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000571699280 317234542 /nfs/dbraw/zinc/23/45/42/317234542.db2.gz YCJXUQMJPKRCQI-LLVKDONJSA-N 2 1 343.397 3.079 20 0 EGADMP Clc1ccc([C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C2CC2)cc1 ZINC000571874165 317259541 /nfs/dbraw/zinc/25/95/41/317259541.db2.gz WYNLDBRBYVXWET-QGZVFWFLSA-N 2 1 345.878 3.166 20 0 EGADMP Clc1ccc(-c2ccc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000571920689 317266168 /nfs/dbraw/zinc/26/61/68/317266168.db2.gz CZOVHDVZNFTOTH-KRWDZBQOSA-N 2 1 345.874 3.080 20 0 EGADMP Clc1ccc(O[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)cc1Cl ZINC000178976589 454994779 /nfs/dbraw/zinc/99/47/79/454994779.db2.gz IEOMMIKKJSOUBO-CQSZACIVSA-N 2 1 329.271 3.446 20 0 EGADMP C[N@H+]1CCC[C@@H](CNCc2c(F)ccc(Br)c2F)C1 ZINC000230307656 456136332 /nfs/dbraw/zinc/13/63/32/456136332.db2.gz ZVCWWDKGQYYNDU-JTQLQIEISA-N 2 1 333.220 3.159 20 0 EGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc(F)ccc3F)CC2)C[C@@H](C)O1 ZINC000171304259 323228594 /nfs/dbraw/zinc/22/85/94/323228594.db2.gz VQDSDIUJMJSRKG-HUUCEWRRSA-N 2 1 338.442 3.286 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000177902036 323347610 /nfs/dbraw/zinc/34/76/10/323347610.db2.gz ZRCAKAMNYGLFRE-CZUORRHYSA-N 2 1 330.394 3.404 20 0 EGADMP O[C@H](CC1CCCC1)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000385898998 324264832 /nfs/dbraw/zinc/26/48/32/324264832.db2.gz FSDCTNPMLNAVAV-YPAWHYETSA-N 2 1 342.527 3.382 20 0 EGADMP O[C@H](CC1CCCC1)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000385898998 324264837 /nfs/dbraw/zinc/26/48/37/324264837.db2.gz FSDCTNPMLNAVAV-YPAWHYETSA-N 2 1 342.527 3.382 20 0 EGADMP O[C@H](CC1CCCC1)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000385898998 324264843 /nfs/dbraw/zinc/26/48/43/324264843.db2.gz FSDCTNPMLNAVAV-YPAWHYETSA-N 2 1 342.527 3.382 20 0 EGADMP CC(C)n1ccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000577810704 324867591 /nfs/dbraw/zinc/86/75/91/324867591.db2.gz OHSIIOUDDRUJAV-INIZCTEOSA-N 2 1 330.476 3.255 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000578894250 325033706 /nfs/dbraw/zinc/03/37/06/325033706.db2.gz CQXSJWKMXKNHCS-QGZVFWFLSA-N 2 1 335.536 3.009 20 0 EGADMP Cc1ncncc1[C@@H](C)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000580095204 325203160 /nfs/dbraw/zinc/20/31/60/325203160.db2.gz LVINDKNCYOWQNN-GDBMZVCRSA-N 2 1 330.501 3.409 20 0 EGADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000580095204 325203162 /nfs/dbraw/zinc/20/31/62/325203162.db2.gz LVINDKNCYOWQNN-GDBMZVCRSA-N 2 1 330.501 3.409 20 0 EGADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000580095204 325203164 /nfs/dbraw/zinc/20/31/64/325203164.db2.gz LVINDKNCYOWQNN-GDBMZVCRSA-N 2 1 330.501 3.409 20 0 EGADMP CC[C@]1(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CCC[NH2+]1 ZINC000581827336 325391846 /nfs/dbraw/zinc/39/18/46/325391846.db2.gz NAFLGTNFVGEVBQ-FXAWDEMLSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(C)CCC(C)CC3)CC2)CC1 ZINC000581833385 325392252 /nfs/dbraw/zinc/39/22/52/325392252.db2.gz KPVLTIHSMYRCIG-UHFFFAOYSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)ccc21 ZINC000582106337 325414265 /nfs/dbraw/zinc/41/42/65/325414265.db2.gz WTZFEDAPMYJOQQ-IBGZPJMESA-N 2 1 347.422 3.069 20 0 EGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(SCC(F)F)cc1 ZINC000423502558 458444577 /nfs/dbraw/zinc/44/45/77/458444577.db2.gz FBXPCTNCXDAPIC-GXTWGEPZSA-N 2 1 330.444 3.073 20 0 EGADMP CC[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183148146 455238723 /nfs/dbraw/zinc/23/87/23/455238723.db2.gz IFAXQHDGVUWBHR-BVOGOJNSSA-N 2 1 330.516 3.285 20 0 EGADMP COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183184811 455246165 /nfs/dbraw/zinc/24/61/65/455246165.db2.gz YULRGIMLWWNZHB-IHPCNDPISA-N 2 1 330.516 3.487 20 0 EGADMP COC(=O)CCCC[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000600712684 460574774 /nfs/dbraw/zinc/57/47/74/460574774.db2.gz ZYZVTQIENAHJHZ-RBUKOAKNSA-N 2 1 332.488 3.002 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245576338 455334456 /nfs/dbraw/zinc/33/44/56/455334456.db2.gz BCMOFEIBCFUWJV-TZIWHRDSSA-N 2 1 346.515 3.408 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245576338 455334461 /nfs/dbraw/zinc/33/44/61/455334461.db2.gz BCMOFEIBCFUWJV-TZIWHRDSSA-N 2 1 346.515 3.408 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245576338 455334465 /nfs/dbraw/zinc/33/44/65/455334465.db2.gz BCMOFEIBCFUWJV-TZIWHRDSSA-N 2 1 346.515 3.408 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245576338 455334471 /nfs/dbraw/zinc/33/44/71/455334471.db2.gz BCMOFEIBCFUWJV-TZIWHRDSSA-N 2 1 346.515 3.408 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245576338 455334475 /nfs/dbraw/zinc/33/44/75/455334475.db2.gz BCMOFEIBCFUWJV-TZIWHRDSSA-N 2 1 346.515 3.408 20 0 EGADMP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631846347 460579853 /nfs/dbraw/zinc/57/98/53/460579853.db2.gz XUSQWMCPEZOOGB-ZWNOBZJWSA-N 2 1 340.258 3.052 20 0 EGADMP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631846347 460579854 /nfs/dbraw/zinc/57/98/54/460579854.db2.gz XUSQWMCPEZOOGB-ZWNOBZJWSA-N 2 1 340.258 3.052 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000173924639 455341516 /nfs/dbraw/zinc/34/15/16/455341516.db2.gz ZWOXGGBZYQFMBE-CQSZACIVSA-N 2 1 348.878 3.206 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000173924639 455341520 /nfs/dbraw/zinc/34/15/20/455341520.db2.gz ZWOXGGBZYQFMBE-CQSZACIVSA-N 2 1 348.878 3.206 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000173924639 455341524 /nfs/dbraw/zinc/34/15/24/455341524.db2.gz ZWOXGGBZYQFMBE-CQSZACIVSA-N 2 1 348.878 3.206 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000173924639 455341529 /nfs/dbraw/zinc/34/15/29/455341529.db2.gz ZWOXGGBZYQFMBE-CQSZACIVSA-N 2 1 348.878 3.206 20 0 EGADMP C[NH+]1CCC(Oc2ccc(CN[C@@H]3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623516695 460591486 /nfs/dbraw/zinc/59/14/86/460591486.db2.gz AXGMPFOTKXFJQD-GOSISDBHSA-N 2 1 345.531 3.122 20 0 EGADMP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623516695 460591492 /nfs/dbraw/zinc/59/14/92/460591492.db2.gz AXGMPFOTKXFJQD-GOSISDBHSA-N 3 1 345.531 3.122 20 0 EGADMP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623516695 460591497 /nfs/dbraw/zinc/59/14/97/460591497.db2.gz AXGMPFOTKXFJQD-GOSISDBHSA-N 3 1 345.531 3.122 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)CC1 ZINC000159282016 455366295 /nfs/dbraw/zinc/36/62/95/455366295.db2.gz OXRIAILXXQAHJB-INIZCTEOSA-N 2 1 342.487 3.134 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)o1 ZINC000053404566 453876979 /nfs/dbraw/zinc/87/69/79/453876979.db2.gz IMSMXTHBSYJHQA-INIZCTEOSA-N 2 1 349.519 3.362 20 0 EGADMP COc1cccc(C[NH2+]C2CCN(Cc3ccccc3C)CC2)n1 ZINC000190784550 455382358 /nfs/dbraw/zinc/38/23/58/455382358.db2.gz NUIPDOSOYCNTCW-UHFFFAOYSA-N 2 1 325.456 3.153 20 0 EGADMP C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C1CC[NH2+]CC1 ZINC000036301326 453928198 /nfs/dbraw/zinc/92/81/98/453928198.db2.gz ZDRHKHVVLVFVLD-UHFFFAOYSA-N 2 1 330.259 3.006 20 0 EGADMP c1ccc(CCOCCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075836555 453930006 /nfs/dbraw/zinc/93/00/06/453930006.db2.gz ZHLPGGWQOLAVTK-OAQYLSRUSA-N 2 1 330.516 3.444 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[NH+](C)C2CCC2)cc1 ZINC000075840701 453930708 /nfs/dbraw/zinc/93/07/08/453930708.db2.gz DIDQTPFYARFVFJ-QGZVFWFLSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)C[N@H+](C)C2CCC2)cc1 ZINC000075840701 453930711 /nfs/dbraw/zinc/93/07/11/453930711.db2.gz DIDQTPFYARFVFJ-QGZVFWFLSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC000075840701 453930714 /nfs/dbraw/zinc/93/07/14/453930714.db2.gz DIDQTPFYARFVFJ-QGZVFWFLSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@@H]1CSCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000190845068 455391080 /nfs/dbraw/zinc/39/10/80/455391080.db2.gz YRETWCXXUQXTOM-KRWDZBQOSA-N 2 1 347.572 3.402 20 0 EGADMP C[NH+](C)CCc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000076222455 453980479 /nfs/dbraw/zinc/98/04/79/453980479.db2.gz GWFLEIGZYBPPOX-LJQANCHMSA-N 2 1 325.456 3.032 20 0 EGADMP CC[NH+](CC)CC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000068084749 453995516 /nfs/dbraw/zinc/99/55/16/453995516.db2.gz WCNLMKNUHQDCSX-KRWDZBQOSA-N 2 1 331.504 3.019 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)oc1C ZINC000085323425 454023266 /nfs/dbraw/zinc/02/32/66/454023266.db2.gz QBCDULRJCARLJX-QYZOEREBSA-N 2 1 329.488 3.305 20 0 EGADMP CCC[C@@H](CC)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000245917910 455399168 /nfs/dbraw/zinc/39/91/68/455399168.db2.gz QHSBRJHHBPVBGT-RTBURBONSA-N 2 1 331.504 3.052 20 0 EGADMP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000057169959 454108836 /nfs/dbraw/zinc/10/88/36/454108836.db2.gz ONZDTKXXRZUWLC-HXUWFJFHSA-N 2 1 337.467 3.351 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000058061112 454162313 /nfs/dbraw/zinc/16/23/13/454162313.db2.gz OEEDTASWQKRSGO-CQSZACIVSA-N 2 1 338.879 3.321 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000058061112 454162316 /nfs/dbraw/zinc/16/23/16/454162316.db2.gz OEEDTASWQKRSGO-CQSZACIVSA-N 2 1 338.879 3.321 20 0 EGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000265981727 455420045 /nfs/dbraw/zinc/42/00/45/455420045.db2.gz BRJCWCHCILXMLG-LSDHHAIUSA-N 2 1 340.414 3.003 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(SC)cc1OC ZINC000077988737 454174769 /nfs/dbraw/zinc/17/47/69/454174769.db2.gz MNZVXEGDYGAOCV-AWEZNQCLSA-N 2 1 338.517 3.246 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(SC)cc1OC ZINC000077988737 454174773 /nfs/dbraw/zinc/17/47/73/454174773.db2.gz MNZVXEGDYGAOCV-AWEZNQCLSA-N 2 1 338.517 3.246 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000130434281 454196847 /nfs/dbraw/zinc/19/68/47/454196847.db2.gz ZTEJGXWVQLHNDC-CYBMUJFWSA-N 2 1 334.851 3.194 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000130434281 454196852 /nfs/dbraw/zinc/19/68/52/454196852.db2.gz ZTEJGXWVQLHNDC-CYBMUJFWSA-N 2 1 334.851 3.194 20 0 EGADMP CCn1c2ccccc2c2cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)ccc21 ZINC000131403884 454251367 /nfs/dbraw/zinc/25/13/67/454251367.db2.gz GGZZQBNPKADNSP-OAQYLSRUSA-N 2 1 339.483 3.217 20 0 EGADMP Cc1nc2c(s1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CCC2 ZINC000090523760 454316074 /nfs/dbraw/zinc/31/60/74/454316074.db2.gz KWVNKNOANVOEIH-SQNIBIBYSA-N 2 1 349.544 3.186 20 0 EGADMP Cc1cnccc1CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090846635 454345598 /nfs/dbraw/zinc/34/55/98/454345598.db2.gz TWNFOKVNQRFQJL-UHFFFAOYSA-N 2 1 341.474 3.368 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000078965862 454346325 /nfs/dbraw/zinc/34/63/25/454346325.db2.gz NQLCVGCKIMWVNJ-MRXNPFEDSA-N 2 1 339.524 3.240 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2SC)C1 ZINC000072860908 454353633 /nfs/dbraw/zinc/35/36/33/454353633.db2.gz UGKQIQFZXMDJRC-HNNXBMFYSA-N 2 1 335.517 3.011 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2SC)C1 ZINC000072860908 454353638 /nfs/dbraw/zinc/35/36/38/454353638.db2.gz UGKQIQFZXMDJRC-HNNXBMFYSA-N 2 1 335.517 3.011 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2SC)C1 ZINC000072860908 454353643 /nfs/dbraw/zinc/35/36/43/454353643.db2.gz UGKQIQFZXMDJRC-HNNXBMFYSA-N 2 1 335.517 3.011 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000072997542 454378717 /nfs/dbraw/zinc/37/87/17/454378717.db2.gz CRDMYOYUMVOJLS-HNNXBMFYSA-N 2 1 349.438 3.396 20 0 EGADMP Cc1cc(Cl)cc(C)c1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121085006 454388647 /nfs/dbraw/zinc/38/86/47/454388647.db2.gz SMJKHLFXASLTFU-MRXNPFEDSA-N 2 1 338.923 3.481 20 0 EGADMP C[N@H+](Cc1ccc(F)cc1Br)CC1CC[NH+](C)CC1 ZINC000063121436 454394572 /nfs/dbraw/zinc/39/45/72/454394572.db2.gz KTUQRXQPQFGUMS-UHFFFAOYSA-N 2 1 329.257 3.362 20 0 EGADMP COc1cc(Br)ccc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000097095606 454405367 /nfs/dbraw/zinc/40/53/67/454405367.db2.gz UMBNAJCOBTYIRJ-LLVKDONJSA-N 2 1 327.266 3.017 20 0 EGADMP CCC[N@@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C1CC[NH2+]CC1 ZINC000097095611 454405598 /nfs/dbraw/zinc/40/55/98/454405598.db2.gz AGRAWFTYSVPCMB-FQEVSTJZSA-N 2 1 332.488 3.208 20 0 EGADMP OC1CC[NH+](CCC[NH2+][C@H](c2ccccc2F)C2CCCC2)CC1 ZINC000091306480 454425210 /nfs/dbraw/zinc/42/52/10/454425210.db2.gz JPTNECDCAMKBFZ-FQEVSTJZSA-N 2 1 334.479 3.493 20 0 EGADMP CN(C)c1cc[nH+]cc1CNC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000097376335 454434758 /nfs/dbraw/zinc/43/47/58/454434758.db2.gz MEZWMNWDJYIFIK-HNAYVOBHSA-N 2 1 344.528 3.382 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000121433128 454435301 /nfs/dbraw/zinc/43/53/01/454435301.db2.gz MEMZGDRSXYLRJE-FUHIMQAGSA-N 2 1 326.488 3.080 20 0 EGADMP CCOc1cc(CCC[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1OC ZINC000133906067 454480978 /nfs/dbraw/zinc/48/09/78/454480978.db2.gz JEQCJUONHGWZOG-JZXOWHBKSA-N 2 1 334.504 3.345 20 0 EGADMP C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101950930 454489483 /nfs/dbraw/zinc/48/94/83/454489483.db2.gz ZHEDRQANLHMOHR-YRPNKDGESA-N 2 1 349.563 3.218 20 0 EGADMP C[N@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253683 454542489 /nfs/dbraw/zinc/54/24/89/454542489.db2.gz MYTUNUUYVTZBHQ-QUCCMNQESA-N 2 1 332.488 3.018 20 0 EGADMP C[NH+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253683 454542494 /nfs/dbraw/zinc/54/24/94/454542494.db2.gz MYTUNUUYVTZBHQ-QUCCMNQESA-N 2 1 332.488 3.018 20 0 EGADMP C[NH+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253683 454542499 /nfs/dbraw/zinc/54/24/99/454542499.db2.gz MYTUNUUYVTZBHQ-QUCCMNQESA-N 2 1 332.488 3.018 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092565083 454586649 /nfs/dbraw/zinc/58/66/49/454586649.db2.gz SUKSCKUUHJMJKA-ODIFPOPNSA-N 2 1 335.492 3.318 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000123170975 454609927 /nfs/dbraw/zinc/60/99/27/454609927.db2.gz WVHNFORIRHSYEJ-LEWJYISDSA-N 2 1 343.559 3.432 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000634999504 460645166 /nfs/dbraw/zinc/64/51/66/460645166.db2.gz VOUYGSRQFXTAES-WCQYABFASA-N 2 1 338.377 3.122 20 0 EGADMP Cc1ccc(-c2ccc(C[NH2+]CCCN3CCC[N@H+](C)CC3)o2)cc1 ZINC000105476503 454641263 /nfs/dbraw/zinc/64/12/63/454641263.db2.gz JXKUXQONFLKXLT-UHFFFAOYSA-N 2 1 341.499 3.372 20 0 EGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cncs2)CC1 ZINC000136056222 454717846 /nfs/dbraw/zinc/71/78/46/454717846.db2.gz VAKKHTYYFNSTQX-CQSZACIVSA-N 2 1 348.491 3.275 20 0 EGADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124365894 454723574 /nfs/dbraw/zinc/72/35/74/454723574.db2.gz GANVJFPSUKSDEO-HXUWFJFHSA-N 2 1 345.531 3.072 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000176494907 454751621 /nfs/dbraw/zinc/75/16/21/454751621.db2.gz BWIYZXTYWKCMNP-ZWOKBUDYSA-N 2 1 326.488 3.253 20 0 EGADMP Cc1cccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1C ZINC000620437289 460652807 /nfs/dbraw/zinc/65/28/07/460652807.db2.gz COKLVZCCLUIBOT-IBGZPJMESA-N 2 1 343.540 3.443 20 0 EGADMP CC[C@H]1Oc2cc([C@@H](C)[NH2+]CCC[NH+]3CCCCC3)ccc2NC1=O ZINC000162400469 454772268 /nfs/dbraw/zinc/77/22/68/454772268.db2.gz NCWJAANLZHIZAF-CRAIPNDOSA-N 2 1 345.487 3.323 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(OCC)cc2)CC1 ZINC000137302209 454775779 /nfs/dbraw/zinc/77/57/79/454775779.db2.gz CHGHWGUQCCNQTF-UHFFFAOYSA-N 2 1 347.503 3.220 20 0 EGADMP c1ccc(CC[NH+]2CCC(N[C@H]3CC[N@H+](C4CCCC4)C3)CC2)cc1 ZINC000153709414 454824272 /nfs/dbraw/zinc/82/42/72/454824272.db2.gz ZETGZOCGVPFBNU-NRFANRHFSA-N 2 1 341.543 3.300 20 0 EGADMP COc1ccc(Oc2cc(CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)ccn2)cc1 ZINC000163438009 454847089 /nfs/dbraw/zinc/84/70/89/454847089.db2.gz NWZVRDKGWBTVMW-DOTOQJQBSA-N 2 1 341.455 3.455 20 0 EGADMP Cc1nc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)oc1C ZINC000177490870 454869509 /nfs/dbraw/zinc/86/95/09/454869509.db2.gz BPFKGPFNZBIOJK-GASCZTMLSA-N 2 1 335.492 3.003 20 0 EGADMP Cc1nc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)oc1C ZINC000177490870 454869519 /nfs/dbraw/zinc/86/95/19/454869519.db2.gz BPFKGPFNZBIOJK-GASCZTMLSA-N 2 1 335.492 3.003 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000164019147 454872260 /nfs/dbraw/zinc/87/22/60/454872260.db2.gz XGCOPWXVXSUVBV-LQWHRVPQSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000164019147 454872265 /nfs/dbraw/zinc/87/22/65/454872265.db2.gz XGCOPWXVXSUVBV-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000164019147 454872270 /nfs/dbraw/zinc/87/22/70/454872270.db2.gz XGCOPWXVXSUVBV-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000164019147 454872273 /nfs/dbraw/zinc/87/22/73/454872273.db2.gz XGCOPWXVXSUVBV-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP CC(C)C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000154274166 454880002 /nfs/dbraw/zinc/88/00/02/454880002.db2.gz QIMXLPVYPPJXGR-HZPDHXFCSA-N 2 1 332.410 3.305 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150804039 454895168 /nfs/dbraw/zinc/89/51/68/454895168.db2.gz UEFPMAUOLPRERU-MRXNPFEDSA-N 2 1 347.528 3.155 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000165367284 454900244 /nfs/dbraw/zinc/90/02/44/454900244.db2.gz PTIFBHUMJVOSKT-JXXFODFXSA-N 2 1 333.495 3.108 20 0 EGADMP CC(C)[NH2+]CCC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000165882566 454905841 /nfs/dbraw/zinc/90/58/41/454905841.db2.gz IUVWHUSHAKDTRN-UHFFFAOYSA-N 2 1 345.531 3.455 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000112918452 454906038 /nfs/dbraw/zinc/90/60/38/454906038.db2.gz UGOLHZQKRRUSMT-UHFFFAOYSA-N 2 1 345.531 3.332 20 0 EGADMP CCOc1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC(F)F ZINC000126662990 454909558 /nfs/dbraw/zinc/90/95/58/454909558.db2.gz LOAGMYSCWDMVTE-HUUCEWRRSA-N 2 1 340.414 3.403 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC(F)F ZINC000126662990 454909564 /nfs/dbraw/zinc/90/95/64/454909564.db2.gz LOAGMYSCWDMVTE-HUUCEWRRSA-N 2 1 340.414 3.403 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC(F)F ZINC000126662990 454909568 /nfs/dbraw/zinc/90/95/68/454909568.db2.gz LOAGMYSCWDMVTE-HUUCEWRRSA-N 2 1 340.414 3.403 20 0 EGADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177869798 454914313 /nfs/dbraw/zinc/91/43/13/454914313.db2.gz JYWAEDULMQJBFD-APWZRJJASA-N 2 1 326.488 3.186 20 0 EGADMP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126903852 454925299 /nfs/dbraw/zinc/92/52/99/454925299.db2.gz ZGWHMDRKWCLOIG-QAPCUYQASA-N 2 1 344.528 3.361 20 0 EGADMP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126903852 454925301 /nfs/dbraw/zinc/92/53/01/454925301.db2.gz ZGWHMDRKWCLOIG-QAPCUYQASA-N 2 1 344.528 3.361 20 0 EGADMP CC(=O)N1CCC(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000151061638 454931332 /nfs/dbraw/zinc/93/13/32/454931332.db2.gz ZATAPXFMAPPJJL-OAHLLOKOSA-N 2 1 340.471 3.090 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000127430670 454963793 /nfs/dbraw/zinc/96/37/93/454963793.db2.gz PUGYDBXCBRJJCA-UHFFFAOYSA-N 2 1 332.423 3.070 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000127430670 454963799 /nfs/dbraw/zinc/96/37/99/454963799.db2.gz PUGYDBXCBRJJCA-UHFFFAOYSA-N 2 1 332.423 3.070 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000178698979 454968323 /nfs/dbraw/zinc/96/83/23/454968323.db2.gz SZSUAMHBNUIQAF-YLJYHZDGSA-N 2 1 326.488 3.082 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(Cl)nc3)CC2)nc(C)[nH+]1 ZINC000179136752 455012234 /nfs/dbraw/zinc/01/22/34/455012234.db2.gz PPULSZQVTMFLPQ-CYBMUJFWSA-N 2 1 345.878 3.461 20 0 EGADMP CC[C@H](CN[C@H](C)c1cccc(OCC[NH+](C)C)c1)[NH+]1CCCC1 ZINC000151673269 455015539 /nfs/dbraw/zinc/01/55/39/455015539.db2.gz VSUYPOUTOIEHEE-IEBWSBKVSA-N 2 1 333.520 3.152 20 0 EGADMP C[C@H](C[NH+]1CCCCC1)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000151856131 455040212 /nfs/dbraw/zinc/04/02/12/455040212.db2.gz YZAGSEKHAGRYGB-MSOLQXFVSA-N 2 1 333.520 3.152 20 0 EGADMP CNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000155875808 455056474 /nfs/dbraw/zinc/05/64/74/455056474.db2.gz QFOCQOHBAWHKPG-OAHLLOKOSA-N 2 1 348.450 3.391 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000128484126 455060618 /nfs/dbraw/zinc/06/06/18/455060618.db2.gz ALSAMGSZCPNMGE-WOJBJXKFSA-N 2 1 333.495 3.079 20 0 EGADMP CC(C)[C@@H](C[NH2+]Cc1ccc(-c2ccccc2)o1)N1CC[NH+](C)CC1 ZINC000128590995 455070282 /nfs/dbraw/zinc/07/02/82/455070282.db2.gz JPGPDXXNMKQWMJ-HXUWFJFHSA-N 2 1 341.499 3.308 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)Cc2cn(C)nc2-c2cccs2)CC1 ZINC000179798096 455080328 /nfs/dbraw/zinc/08/03/28/455080328.db2.gz IMMXDYSSUKRKML-UHFFFAOYSA-N 2 1 332.517 3.455 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2-c2cccs2)CC1 ZINC000179798096 455080330 /nfs/dbraw/zinc/08/03/30/455080330.db2.gz IMMXDYSSUKRKML-UHFFFAOYSA-N 2 1 332.517 3.455 20 0 EGADMP CCCN(Cc1ccc(C)cc1)C(=O)CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152358612 455107034 /nfs/dbraw/zinc/10/70/34/455107034.db2.gz UEXTZYLHZLCAMV-FQEVSTJZSA-N 2 1 345.531 3.007 20 0 EGADMP C[N@H+]1CCCC[C@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000623656874 460662844 /nfs/dbraw/zinc/66/28/44/460662844.db2.gz DNJXSSLOYMTIMG-LJQANCHMSA-N 2 1 347.522 3.154 20 0 EGADMP C[N@@H+]1CCCC[C@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000623656874 460662851 /nfs/dbraw/zinc/66/28/51/460662851.db2.gz DNJXSSLOYMTIMG-LJQANCHMSA-N 2 1 347.522 3.154 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000623656874 460662854 /nfs/dbraw/zinc/66/28/54/460662854.db2.gz DNJXSSLOYMTIMG-LJQANCHMSA-N 2 1 347.522 3.154 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000156441671 455118455 /nfs/dbraw/zinc/11/84/55/455118455.db2.gz XNWJQYQBKCFOPE-IAGOWNOFSA-N 2 1 339.524 3.096 20 0 EGADMP COC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000152445183 455120370 /nfs/dbraw/zinc/12/03/70/455120370.db2.gz SBOODPNSBMOFJF-DYVFJYSZSA-N 2 1 342.405 3.467 20 0 EGADMP COC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000152445183 455120375 /nfs/dbraw/zinc/12/03/75/455120375.db2.gz SBOODPNSBMOFJF-DYVFJYSZSA-N 2 1 342.405 3.467 20 0 EGADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)C[C@H]1CCC[NH+](C)C1 ZINC000152456545 455122051 /nfs/dbraw/zinc/12/20/51/455122051.db2.gz BKJOKYJQMRKAMN-ZDUSSCGKSA-N 2 1 341.858 3.081 20 0 EGADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000152456545 455122056 /nfs/dbraw/zinc/12/20/56/455122056.db2.gz BKJOKYJQMRKAMN-ZDUSSCGKSA-N 2 1 341.858 3.081 20 0 EGADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000152456545 455122060 /nfs/dbraw/zinc/12/20/60/455122060.db2.gz BKJOKYJQMRKAMN-ZDUSSCGKSA-N 2 1 341.858 3.081 20 0 EGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000623656580 460664208 /nfs/dbraw/zinc/66/42/08/460664208.db2.gz XQTPUCYKQTZKGP-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000623656580 460664216 /nfs/dbraw/zinc/66/42/16/460664216.db2.gz XQTPUCYKQTZKGP-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP CCCC[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156924500 455157201 /nfs/dbraw/zinc/15/72/01/455157201.db2.gz CPTCKJCUPFOURV-LPHOPBHVSA-N 2 1 331.504 3.052 20 0 EGADMP C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156934912 455157829 /nfs/dbraw/zinc/15/78/29/455157829.db2.gz ANPHIEXHDIWNLR-UXPWSPDFSA-N 2 1 343.515 3.052 20 0 EGADMP CCC[NH+]1CCC(Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)CC1 ZINC000156971605 455159192 /nfs/dbraw/zinc/15/91/92/455159192.db2.gz JGZABFPSVGCRNZ-UHFFFAOYSA-N 2 1 345.531 3.102 20 0 EGADMP CN(C(=O)CCCCCC[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237269086 455167115 /nfs/dbraw/zinc/16/71/15/455167115.db2.gz IXKXUJLEKMXQGH-LJQANCHMSA-N 2 1 331.504 3.019 20 0 EGADMP C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182819703 455171404 /nfs/dbraw/zinc/17/14/04/455171404.db2.gz YMBIELGZOCBPMS-LPHOPBHVSA-N 2 1 343.515 3.131 20 0 EGADMP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182824055 455172110 /nfs/dbraw/zinc/17/21/10/455172110.db2.gz MMVYPVXLEVAAER-XKGZKEIXSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182824055 455172112 /nfs/dbraw/zinc/17/21/12/455172112.db2.gz MMVYPVXLEVAAER-XKGZKEIXSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@]2(C)CCCC[NH2+]2)cc1 ZINC000237348936 455176173 /nfs/dbraw/zinc/17/61/73/455176173.db2.gz HQIAJQJHHCOOCK-DYESRHJHSA-N 2 1 343.515 3.209 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCCCCC[NH3+])C1 ZINC000237503677 455190303 /nfs/dbraw/zinc/19/03/03/455190303.db2.gz PQSXKQHJVBEGDB-SFHVURJKSA-N 2 1 345.531 3.444 20 0 EGADMP Cc1cnc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000180534840 455191692 /nfs/dbraw/zinc/19/16/92/455191692.db2.gz QDVCXBHJWPLGKS-GASCZTMLSA-N 2 1 337.533 3.163 20 0 EGADMP Cc1cnc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000180534840 455191695 /nfs/dbraw/zinc/19/16/95/455191695.db2.gz QDVCXBHJWPLGKS-GASCZTMLSA-N 2 1 337.533 3.163 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000264382642 455201402 /nfs/dbraw/zinc/20/14/02/455201402.db2.gz PIXMFPUFTUNJIP-CYBMUJFWSA-N 2 1 349.862 3.432 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2)C1 ZINC000237743137 455213713 /nfs/dbraw/zinc/21/37/13/455213713.db2.gz SVDOEJLVXMIFKS-LPHOPBHVSA-N 2 1 341.499 3.247 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cc1F ZINC000180641620 455216193 /nfs/dbraw/zinc/21/61/93/455216193.db2.gz YIRFWSTWFKVHPS-KDOFPFPSSA-N 2 1 346.421 3.382 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CCn2cccn2)cc1F ZINC000157656488 455217784 /nfs/dbraw/zinc/21/77/84/455217784.db2.gz NKDCCRPHHMGCGI-CQSZACIVSA-N 2 1 327.407 3.085 20 0 EGADMP FC(F)COCCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000189565749 455218597 /nfs/dbraw/zinc/21/85/97/455218597.db2.gz LTQMGEXLIAOZTK-MSOLQXFVSA-N 2 1 338.442 3.255 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCOC[C@@H]2CCOC2)cc1 ZINC000158215470 455281366 /nfs/dbraw/zinc/28/13/66/455281366.db2.gz OIYDDYSSNROQFB-AEFFLSMTSA-N 2 1 343.471 3.275 20 0 EGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245513659 455317893 /nfs/dbraw/zinc/31/78/93/455317893.db2.gz DHIWXUQYFYOQBM-UYAOXDASSA-N 2 1 332.488 3.018 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245513659 455317897 /nfs/dbraw/zinc/31/78/97/455317897.db2.gz DHIWXUQYFYOQBM-UYAOXDASSA-N 2 1 332.488 3.018 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245513659 455317901 /nfs/dbraw/zinc/31/79/01/455317901.db2.gz DHIWXUQYFYOQBM-UYAOXDASSA-N 2 1 332.488 3.018 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245513659 455317905 /nfs/dbraw/zinc/31/79/05/455317905.db2.gz DHIWXUQYFYOQBM-UYAOXDASSA-N 2 1 332.488 3.018 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245513659 455317907 /nfs/dbraw/zinc/31/79/07/455317907.db2.gz DHIWXUQYFYOQBM-UYAOXDASSA-N 2 1 332.488 3.018 20 0 EGADMP COc1ccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)c(OC2CCCC2)c1 ZINC000158715418 455325054 /nfs/dbraw/zinc/32/50/54/455325054.db2.gz NADQZIZVIZKVMH-BEFAXECRSA-N 2 1 332.488 3.446 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CCN(C)C[C@H]2C)c(OC2CCCC2)c1 ZINC000158715418 455325057 /nfs/dbraw/zinc/32/50/57/455325057.db2.gz NADQZIZVIZKVMH-BEFAXECRSA-N 2 1 332.488 3.446 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000158950324 455339463 /nfs/dbraw/zinc/33/94/63/455339463.db2.gz RRBNUNPRTSOOKN-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000245868133 455388184 /nfs/dbraw/zinc/38/81/84/455388184.db2.gz KKJMRQZIUZATRW-IKGGRYGDSA-N 2 1 339.524 3.142 20 0 EGADMP CCN(Cc1cccc(OC)n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174485720 455396292 /nfs/dbraw/zinc/39/62/92/455396292.db2.gz HLSGIYWYHHGOHS-IBGZPJMESA-N 2 1 339.483 3.434 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000246182790 455443175 /nfs/dbraw/zinc/44/31/75/455443175.db2.gz KPGLDIBEPQXZCL-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP FC(F)(F)c1cccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000246183674 455443311 /nfs/dbraw/zinc/44/33/11/455443311.db2.gz DECWWMSTUYZVEK-CABCVRRESA-N 2 1 328.378 3.301 20 0 EGADMP Cc1ccccc1NC(=O)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000266733878 455444219 /nfs/dbraw/zinc/44/42/19/455444219.db2.gz LKQHGDUUYKAMHJ-UHFFFAOYSA-N 2 1 329.488 3.274 20 0 EGADMP c1cnc2c(c1)cccc2OCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246314410 455470075 /nfs/dbraw/zinc/47/00/75/455470075.db2.gz DYAXTVJQCYIVNO-ROUUACIJSA-N 2 1 325.456 3.220 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(C)C1CCC(C)CC1 ZINC000191499305 455490810 /nfs/dbraw/zinc/49/08/10/455490810.db2.gz XVZDONPZVCDERL-UHFFFAOYSA-N 2 1 348.535 3.195 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C)C1CCC(C)CC1 ZINC000191499305 455490815 /nfs/dbraw/zinc/49/08/15/455490815.db2.gz XVZDONPZVCDERL-UHFFFAOYSA-N 2 1 348.535 3.195 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(CC)cc1 ZINC000191501060 455491357 /nfs/dbraw/zinc/49/13/57/455491357.db2.gz BFADIIASYKQPAM-UHFFFAOYSA-N 2 1 342.487 3.359 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(CC)cc1 ZINC000191501060 455491362 /nfs/dbraw/zinc/49/13/62/455491362.db2.gz BFADIIASYKQPAM-UHFFFAOYSA-N 2 1 342.487 3.359 20 0 EGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246828760 455528578 /nfs/dbraw/zinc/52/85/78/455528578.db2.gz AIJNZYDZBGPZSH-WWGRRREGSA-N 2 1 325.294 3.452 20 0 EGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246828760 455528584 /nfs/dbraw/zinc/52/85/84/455528584.db2.gz AIJNZYDZBGPZSH-WWGRRREGSA-N 2 1 325.294 3.452 20 0 EGADMP CC[C@H](C)NC(=O)c1cccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000247046569 455551045 /nfs/dbraw/zinc/55/10/45/455551045.db2.gz NAUKKYNUEQMMCO-YYAJDYIMSA-N 2 1 331.504 3.033 20 0 EGADMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000247046569 455551052 /nfs/dbraw/zinc/55/10/52/455551052.db2.gz NAUKKYNUEQMMCO-YYAJDYIMSA-N 2 1 331.504 3.033 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000192073991 455553292 /nfs/dbraw/zinc/55/32/92/455553292.db2.gz GZELTQJUKYRTCJ-HKUYNNGSSA-N 2 1 348.531 3.449 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)CO[C@H]2CCOC2)cc1 ZINC000247096900 455558792 /nfs/dbraw/zinc/55/87/92/455558792.db2.gz OKUROIQLZXJHJD-DOXZYTNZSA-N 2 1 329.444 3.025 20 0 EGADMP CC1CCN(c2ccc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)cn2)CC1 ZINC000247111175 455560466 /nfs/dbraw/zinc/56/04/66/455560466.db2.gz QOXNWQITPWYTFF-ZIFCJYIRSA-N 2 1 330.520 3.136 20 0 EGADMP CC1CCN(c2ccc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)cn2)CC1 ZINC000247111175 455560468 /nfs/dbraw/zinc/56/04/68/455560468.db2.gz QOXNWQITPWYTFF-ZIFCJYIRSA-N 2 1 330.520 3.136 20 0 EGADMP C[C@@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000247133125 455563734 /nfs/dbraw/zinc/56/37/34/455563734.db2.gz ZVSVKQJSVXYBQE-DEPCRRQNSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000247148598 455565784 /nfs/dbraw/zinc/56/57/84/455565784.db2.gz WUEDDZBMTUUWDE-MOPGFXCFSA-N 3 1 347.547 3.398 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000247148598 455565789 /nfs/dbraw/zinc/56/57/89/455565789.db2.gz WUEDDZBMTUUWDE-MOPGFXCFSA-N 2 1 347.547 3.398 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000247148598 455565795 /nfs/dbraw/zinc/56/57/95/455565795.db2.gz WUEDDZBMTUUWDE-MOPGFXCFSA-N 2 1 347.547 3.398 20 0 EGADMP C[C@H]1C[C@@H]([NH+](C)CCC2OCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000267961534 455570886 /nfs/dbraw/zinc/57/08/86/455570886.db2.gz SVYWHAYLTFPPSY-HKUYNNGSSA-N 2 1 332.488 3.124 20 0 EGADMP C[C@H]1C[C@@H]([NH+](C)CCC2OCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000267961534 455570889 /nfs/dbraw/zinc/57/08/89/455570889.db2.gz SVYWHAYLTFPPSY-HKUYNNGSSA-N 2 1 332.488 3.124 20 0 EGADMP C[C@H]1C[C@@H]([N@H+](C)CCC2OCCCO2)CC[NH+]1Cc1ccccc1 ZINC000267961534 455570891 /nfs/dbraw/zinc/57/08/91/455570891.db2.gz SVYWHAYLTFPPSY-HKUYNNGSSA-N 2 1 332.488 3.124 20 0 EGADMP C[C@H]1C[C@@H]([N@@H+](C)CCC2OCCCO2)CC[NH+]1Cc1ccccc1 ZINC000267961534 455570894 /nfs/dbraw/zinc/57/08/94/455570894.db2.gz SVYWHAYLTFPPSY-HKUYNNGSSA-N 2 1 332.488 3.124 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1sccc1C[NH+](C)C ZINC000268091732 455590565 /nfs/dbraw/zinc/59/05/65/455590565.db2.gz IYFBMDHASTUJAG-OAHLLOKOSA-N 2 1 337.533 3.194 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000185679842 455594229 /nfs/dbraw/zinc/59/42/29/455594229.db2.gz HKYKJJKFUDJETQ-MSOLQXFVSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000185679842 455594234 /nfs/dbraw/zinc/59/42/34/455594234.db2.gz HKYKJJKFUDJETQ-MSOLQXFVSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1cc(C)cc(NC(=O)CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185684124 455595580 /nfs/dbraw/zinc/59/55/80/455595580.db2.gz NHKBVAHACAZWSF-MSOLQXFVSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1cc(C)cc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185684124 455595585 /nfs/dbraw/zinc/59/55/85/455595585.db2.gz NHKBVAHACAZWSF-MSOLQXFVSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1cc(C)cc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185684124 455595588 /nfs/dbraw/zinc/59/55/88/455595588.db2.gz NHKBVAHACAZWSF-MSOLQXFVSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1cccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000185707674 455602017 /nfs/dbraw/zinc/60/20/17/455602017.db2.gz HKFAQUYDFVRNQL-ROUUACIJSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1cccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000185707674 455602022 /nfs/dbraw/zinc/60/20/22/455602022.db2.gz HKFAQUYDFVRNQL-ROUUACIJSA-N 2 1 343.515 3.485 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(C)C1CCCCC1 ZINC000185732955 455609147 /nfs/dbraw/zinc/60/91/47/455609147.db2.gz DCQDFJQTWKAHHA-OKZBNKHCSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)N(C)C1CCCCC1 ZINC000185732955 455609152 /nfs/dbraw/zinc/60/91/52/455609152.db2.gz DCQDFJQTWKAHHA-OKZBNKHCSA-N 2 1 349.563 3.409 20 0 EGADMP COC(=O)c1cccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185756279 455615687 /nfs/dbraw/zinc/61/56/87/455615687.db2.gz PDWMBCIASWDMFG-YJBOKZPZSA-N 2 1 330.472 3.216 20 0 EGADMP CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)[nH]1 ZINC000271419396 455630235 /nfs/dbraw/zinc/63/02/35/455630235.db2.gz BPSAEHHHKDUHRY-GJZGRUSLSA-N 2 1 345.491 3.280 20 0 EGADMP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000247685213 455637360 /nfs/dbraw/zinc/63/73/60/455637360.db2.gz UXDGXZHPUYIJEG-CRAIPNDOSA-N 2 1 349.906 3.077 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000247685213 455637361 /nfs/dbraw/zinc/63/73/61/455637361.db2.gz UXDGXZHPUYIJEG-CRAIPNDOSA-N 2 1 349.906 3.077 20 0 EGADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000247887067 455652624 /nfs/dbraw/zinc/65/26/24/455652624.db2.gz DIIHIFWHUXNZAT-GHTZIAJQSA-N 3 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@@H](C)C3)cc2)CC1 ZINC000247887067 455652625 /nfs/dbraw/zinc/65/26/25/455652625.db2.gz DIIHIFWHUXNZAT-GHTZIAJQSA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000247887067 455652629 /nfs/dbraw/zinc/65/26/29/455652629.db2.gz DIIHIFWHUXNZAT-GHTZIAJQSA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000247887067 455652632 /nfs/dbraw/zinc/65/26/32/455652632.db2.gz DIIHIFWHUXNZAT-GHTZIAJQSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)s1 ZINC000271488468 455656685 /nfs/dbraw/zinc/65/66/85/455656685.db2.gz JYCYOEAPVFCQDD-UBHSHLNASA-N 2 1 328.909 3.430 20 0 EGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC(F)F ZINC000192638637 455658982 /nfs/dbraw/zinc/65/89/82/455658982.db2.gz HIOCCIIWOKIGDD-AGUYFDCRSA-N 2 1 326.387 3.011 20 0 EGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC(F)F ZINC000192638637 455658988 /nfs/dbraw/zinc/65/89/88/455658988.db2.gz HIOCCIIWOKIGDD-AGUYFDCRSA-N 2 1 326.387 3.011 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCNc2ncc(Cl)cc2Cl)[C@@H](C)C1 ZINC000247955733 455660829 /nfs/dbraw/zinc/66/08/29/455660829.db2.gz FNWWXOPLIGAUGL-FZMZJTMJSA-N 2 1 331.291 3.120 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000248033683 455673422 /nfs/dbraw/zinc/67/34/22/455673422.db2.gz RBJCYBAXUGKEPG-SJLPKXTDSA-N 2 1 342.487 3.134 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)c(Cl)c1 ZINC000248183256 455694815 /nfs/dbraw/zinc/69/48/15/455694815.db2.gz WWKNNGSIRKIMGC-ZFWWWQNUSA-N 2 1 328.859 3.367 20 0 EGADMP CC[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248397623 455713571 /nfs/dbraw/zinc/71/35/71/455713571.db2.gz IFAXQHDGVUWBHR-GFOJFJKKSA-N 2 1 330.516 3.285 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000248878697 455736432 /nfs/dbraw/zinc/73/64/32/455736432.db2.gz OSTNIMMOZASDKT-FGTMMUONSA-N 2 1 334.504 3.059 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000248878697 455736433 /nfs/dbraw/zinc/73/64/33/455736433.db2.gz OSTNIMMOZASDKT-FGTMMUONSA-N 2 1 334.504 3.059 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000248878697 455736435 /nfs/dbraw/zinc/73/64/35/455736435.db2.gz OSTNIMMOZASDKT-FGTMMUONSA-N 2 1 334.504 3.059 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000248878697 455736436 /nfs/dbraw/zinc/73/64/36/455736436.db2.gz OSTNIMMOZASDKT-FGTMMUONSA-N 2 1 334.504 3.059 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000271758413 455749336 /nfs/dbraw/zinc/74/93/36/455749336.db2.gz ZDCTZEZDZOWCSV-VQTJNVASSA-N 2 1 341.503 3.028 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](OC(C)C)c2ccccc2OC)[C@H](C)C1 ZINC000186376568 455754986 /nfs/dbraw/zinc/75/49/86/455754986.db2.gz JYTGSWILJIJQIT-POAQFYNOSA-N 2 1 334.504 3.481 20 0 EGADMP OCCC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCC1 ZINC000269011564 455762638 /nfs/dbraw/zinc/76/26/38/455762638.db2.gz XNVFNPRCSKCEHM-UHFFFAOYSA-N 2 1 348.506 3.365 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269030342 455768772 /nfs/dbraw/zinc/76/87/72/455768772.db2.gz RLXXZFSBMQWZSQ-UWJYYQICSA-N 2 1 327.516 3.113 20 0 EGADMP Cc1cccc(NC[C@@H]2CCN([C@H](C)c3nc(C(C)C)no3)C2)n1 ZINC000249803877 455776302 /nfs/dbraw/zinc/77/63/02/455776302.db2.gz AXJQOQOZABBCFT-CABCVRRESA-N 2 1 329.448 3.391 20 0 EGADMP COc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)c(Br)c1 ZINC000271858648 455789320 /nfs/dbraw/zinc/78/93/20/455789320.db2.gz JWGHPFKKDDECDO-NSHDSACASA-N 2 1 338.249 3.313 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000616992320 460690944 /nfs/dbraw/zinc/69/09/44/460690944.db2.gz ROZJKGLOKSTZCE-GOSISDBHSA-N 2 1 345.531 3.379 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CCN1C(=O)OC(C)(C)C ZINC000278293247 455808995 /nfs/dbraw/zinc/80/89/95/455808995.db2.gz BYMBDSXQMJPAIS-GDBMZVCRSA-N 2 1 348.491 3.025 20 0 EGADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000269202749 455810770 /nfs/dbraw/zinc/81/07/70/455810770.db2.gz KTVJFNXURQQMKE-LJQANCHMSA-N 2 1 349.478 3.183 20 0 EGADMP Cc1cnn(C)c1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000285250634 455812607 /nfs/dbraw/zinc/81/26/07/455812607.db2.gz ANFKCZVVKAHFRB-INIZCTEOSA-N 2 1 326.488 3.250 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000269300303 455830524 /nfs/dbraw/zinc/83/05/24/455830524.db2.gz XJKLHHISMCDCLR-QFBILLFUSA-N 2 1 331.504 3.118 20 0 EGADMP CCn1cc(CC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000285406555 455838669 /nfs/dbraw/zinc/83/86/69/455838669.db2.gz CUMQFBWLHJHVEK-NRFANRHFSA-N 2 1 338.499 3.044 20 0 EGADMP CCn1cc(CC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000285406555 455838672 /nfs/dbraw/zinc/83/86/72/455838672.db2.gz CUMQFBWLHJHVEK-NRFANRHFSA-N 2 1 338.499 3.044 20 0 EGADMP CCn1cc(CC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000285406555 455838677 /nfs/dbraw/zinc/83/86/77/455838677.db2.gz CUMQFBWLHJHVEK-NRFANRHFSA-N 2 1 338.499 3.044 20 0 EGADMP O[C@@H](C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000285409132 455839987 /nfs/dbraw/zinc/83/99/87/455839987.db2.gz DABVKKQUFOCKKK-FCHUYYIVSA-N 2 1 336.479 3.318 20 0 EGADMP O[C@@H](C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000285409132 455839990 /nfs/dbraw/zinc/83/99/90/455839990.db2.gz DABVKKQUFOCKKK-FCHUYYIVSA-N 2 1 336.479 3.318 20 0 EGADMP O[C@@H](C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000285409132 455839994 /nfs/dbraw/zinc/83/99/94/455839994.db2.gz DABVKKQUFOCKKK-FCHUYYIVSA-N 2 1 336.479 3.318 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C2CC[NH+](C3CC3)CC2)c1 ZINC000194594448 455862863 /nfs/dbraw/zinc/86/28/63/455862863.db2.gz GYUAGBCXATZLQL-UHFFFAOYSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272279961 455900382 /nfs/dbraw/zinc/90/03/82/455900382.db2.gz CWEYKJRBNRDVHR-WJMWBRGCSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H](N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272279961 455900390 /nfs/dbraw/zinc/90/03/90/455900390.db2.gz CWEYKJRBNRDVHR-WJMWBRGCSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H](N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272279961 455900396 /nfs/dbraw/zinc/90/03/96/455900396.db2.gz CWEYKJRBNRDVHR-WJMWBRGCSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272279961 455900400 /nfs/dbraw/zinc/90/04/00/455900400.db2.gz CWEYKJRBNRDVHR-WJMWBRGCSA-N 3 1 327.516 3.113 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272279961 455900405 /nfs/dbraw/zinc/90/04/05/455900405.db2.gz CWEYKJRBNRDVHR-WJMWBRGCSA-N 3 1 327.516 3.113 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272279961 455900409 /nfs/dbraw/zinc/90/04/09/455900409.db2.gz CWEYKJRBNRDVHR-WJMWBRGCSA-N 3 1 327.516 3.113 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272279961 455900415 /nfs/dbraw/zinc/90/04/15/455900415.db2.gz CWEYKJRBNRDVHR-WJMWBRGCSA-N 3 1 327.516 3.113 20 0 EGADMP CC[C@H](C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000272324520 455913546 /nfs/dbraw/zinc/91/35/46/455913546.db2.gz UYSYAEIVAQFECK-YSIASYRMSA-N 2 1 345.531 3.134 20 0 EGADMP C[NH2+]CCC1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000261643351 455920039 /nfs/dbraw/zinc/92/00/39/455920039.db2.gz DKPZIZKPJLIFFL-UHFFFAOYSA-N 2 1 334.851 3.212 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)CC[C@H]2CC[NH2+]C2)c1 ZINC000270305557 455924292 /nfs/dbraw/zinc/92/42/92/455924292.db2.gz CSHSPGPERAHWBC-SFHVURJKSA-N 2 1 345.531 3.315 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccn(-c3ccccc3)n2)C[C@H]1c1ccccc1 ZINC000261757433 455942585 /nfs/dbraw/zinc/94/25/85/455942585.db2.gz NSRZDBKVYNWQQM-NQIIRXRSSA-N 2 1 332.451 3.047 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccn(-c3ccccc3)n2)C[C@H]1c1ccccc1 ZINC000261757433 455942594 /nfs/dbraw/zinc/94/25/94/455942594.db2.gz NSRZDBKVYNWQQM-NQIIRXRSSA-N 2 1 332.451 3.047 20 0 EGADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)C1CCOCC1 ZINC000187767314 455950196 /nfs/dbraw/zinc/95/01/96/455950196.db2.gz WPZVVOJEGRUKDL-HXUWFJFHSA-N 2 1 334.504 3.058 20 0 EGADMP COc1nccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000296503376 455957512 /nfs/dbraw/zinc/95/75/12/455957512.db2.gz RDIWZFRLPUNWLL-MRXNPFEDSA-N 2 1 340.471 3.007 20 0 EGADMP COc1nccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)n1 ZINC000296503376 455957515 /nfs/dbraw/zinc/95/75/15/455957515.db2.gz RDIWZFRLPUNWLL-MRXNPFEDSA-N 2 1 340.471 3.007 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000261982344 455981495 /nfs/dbraw/zinc/98/14/95/455981495.db2.gz RNKFRAZALFXZCO-LBPRGKRZSA-N 2 1 344.286 3.253 20 0 EGADMP Clc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1Cl ZINC000262010222 455985275 /nfs/dbraw/zinc/98/52/75/455985275.db2.gz VLIYNYBMVBIVLA-BMFZPTHFSA-N 2 1 343.298 3.283 20 0 EGADMP Cn1cc(C[N@H+](Cc2ccc(Cl)cc2)CC2CC[NH2+]CC2)cn1 ZINC000262054195 455991433 /nfs/dbraw/zinc/99/14/33/455991433.db2.gz ZZWXKGCUXDOGQQ-UHFFFAOYSA-N 2 1 332.879 3.075 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000270649949 456005770 /nfs/dbraw/zinc/00/57/70/456005770.db2.gz ONUJAYKJCABOTN-UHFFFAOYSA-N 2 1 347.409 3.455 20 0 EGADMP COc1cccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)[NH+](C)C)c1 ZINC000262155838 456005861 /nfs/dbraw/zinc/00/58/61/456005861.db2.gz GJOSBPZCBWQYKS-BURNTYAHSA-N 2 1 345.531 3.198 20 0 EGADMP Cc1nccn1CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000272606635 456011507 /nfs/dbraw/zinc/01/15/07/456011507.db2.gz VJTPKHFJODDXBL-NJDAHSKKSA-N 2 1 338.499 3.082 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000272606635 456011510 /nfs/dbraw/zinc/01/15/10/456011510.db2.gz VJTPKHFJODDXBL-NJDAHSKKSA-N 3 1 338.499 3.082 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000272606635 456011514 /nfs/dbraw/zinc/01/15/14/456011514.db2.gz VJTPKHFJODDXBL-NJDAHSKKSA-N 3 1 338.499 3.082 20 0 EGADMP C[NH+]1CCC([NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000272692703 456040700 /nfs/dbraw/zinc/04/07/00/456040700.db2.gz QVVXLZCSWPQDEA-QZTJIDSGSA-N 2 1 345.487 3.381 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000272717547 456051465 /nfs/dbraw/zinc/05/14/65/456051465.db2.gz DKXMXAWIEUIQTP-PKOBYXMFSA-N 2 1 342.508 3.482 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000280816954 456058796 /nfs/dbraw/zinc/05/87/96/456058796.db2.gz IOIKMXLEZAIETO-FUHWJXTLSA-N 2 1 332.488 3.218 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000280816954 456058801 /nfs/dbraw/zinc/05/88/01/456058801.db2.gz IOIKMXLEZAIETO-FUHWJXTLSA-N 2 1 332.488 3.218 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)CC[N@H+]1C ZINC000280917157 456081774 /nfs/dbraw/zinc/08/17/74/456081774.db2.gz GYWCWQBWWZMRIQ-ZFWWWQNUSA-N 2 1 330.394 3.243 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])[C@@H]1c1cccs1 ZINC000263116682 456095945 /nfs/dbraw/zinc/09/59/45/456095945.db2.gz AQEILAWQQXDDJM-GFIVTLFCSA-N 2 1 349.544 3.155 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000281026042 456113543 /nfs/dbraw/zinc/11/35/43/456113543.db2.gz YAOUTNKHZHICBP-HNNXBMFYSA-N 2 1 347.894 3.131 20 0 EGADMP C[C@H](CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)C1CC[NH2+]CC1 ZINC000263302359 456122297 /nfs/dbraw/zinc/12/22/97/456122297.db2.gz ZUJWIPPSXQNVOI-GUDVDZBRSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H](NC(=O)c1sccc1C[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272986038 456135133 /nfs/dbraw/zinc/13/51/33/456135133.db2.gz PMBLWVNEBJWDOC-GJZGRUSLSA-N 2 1 349.544 3.193 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236687117 456169520 /nfs/dbraw/zinc/16/95/20/456169520.db2.gz NSJJBKZTUDJQQI-QGZVFWFLSA-N 2 1 345.531 3.300 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1c(Cl)cccc1-n1ccnc1 ZINC000297280131 456170235 /nfs/dbraw/zinc/17/02/35/456170235.db2.gz LHEUBMSPXSENEC-KEYYUXOJSA-N 3 1 332.879 3.344 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000297280131 456170241 /nfs/dbraw/zinc/17/02/41/456170241.db2.gz LHEUBMSPXSENEC-KEYYUXOJSA-N 2 1 332.879 3.344 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000297280131 456170247 /nfs/dbraw/zinc/17/02/47/456170247.db2.gz LHEUBMSPXSENEC-KEYYUXOJSA-N 2 1 332.879 3.344 20 0 EGADMP C[C@H]1C[C@H](Nc2nc(N(C)C)cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000301778881 456212766 /nfs/dbraw/zinc/21/27/66/456212766.db2.gz RUGKRFFLIALQLA-DOTOQJQBSA-N 2 1 325.460 3.008 20 0 EGADMP C[C@H]1C[C@H](Nc2nc(N(C)C)cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000301778881 456212769 /nfs/dbraw/zinc/21/27/69/456212769.db2.gz RUGKRFFLIALQLA-DOTOQJQBSA-N 2 1 325.460 3.008 20 0 EGADMP CCc1cc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c2ccccc2[nH+]1 ZINC000301811346 456220649 /nfs/dbraw/zinc/22/06/49/456220649.db2.gz XOFUOWFQCXKFGS-SFHVURJKSA-N 2 1 338.499 3.013 20 0 EGADMP Cc1cc(-c2noc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)n2)ccc1F ZINC000333582713 456236893 /nfs/dbraw/zinc/23/68/93/456236893.db2.gz ODGXHLHMTHPHFL-AWEZNQCLSA-N 2 1 344.434 3.148 20 0 EGADMP COc1cc(C[NH2+][C@H](C)CC[NH+](C)C)ccc1OCC(F)(F)F ZINC000237159570 456239942 /nfs/dbraw/zinc/23/99/42/456239942.db2.gz DWBFWAIUOQFGHR-GFCCVEGCSA-N 2 1 334.382 3.066 20 0 EGADMP Cc1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)o1 ZINC000237204889 456247486 /nfs/dbraw/zinc/24/74/86/456247486.db2.gz RGJZRQGAMFKVRC-HXUWFJFHSA-N 2 1 327.472 3.056 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccn(-c3ccccc3F)n2)C[C@@H]1n1ccnc1 ZINC000189208230 456255451 /nfs/dbraw/zinc/25/54/51/456255451.db2.gz UTJKNIKCCOLVML-BEFAXECRSA-N 2 1 339.418 3.291 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccn(-c3ccccc3F)n2)C[C@@H]1n1ccnc1 ZINC000189208230 456255456 /nfs/dbraw/zinc/25/54/56/456255456.db2.gz UTJKNIKCCOLVML-BEFAXECRSA-N 2 1 339.418 3.291 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(Cl)nc3)CC2)C[C@H](C)O1 ZINC000263893952 456258360 /nfs/dbraw/zinc/25/83/60/456258360.db2.gz GYQDGLTZEPLVGS-GASCZTMLSA-N 2 1 337.895 3.056 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(Cl)nc3)CC2)C[C@H](C)O1 ZINC000263893952 456258364 /nfs/dbraw/zinc/25/83/64/456258364.db2.gz GYQDGLTZEPLVGS-GASCZTMLSA-N 2 1 337.895 3.056 20 0 EGADMP CC[NH+]1CCC(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000290177233 456259983 /nfs/dbraw/zinc/25/99/83/456259983.db2.gz NDLUYOPIANNBRI-HXUWFJFHSA-N 2 1 329.532 3.363 20 0 EGADMP CC[NH+]1CCC([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000290177233 456259989 /nfs/dbraw/zinc/25/99/89/456259989.db2.gz NDLUYOPIANNBRI-HXUWFJFHSA-N 3 1 329.532 3.363 20 0 EGADMP CC[NH+]1CCC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000290177233 456259991 /nfs/dbraw/zinc/25/99/91/456259991.db2.gz NDLUYOPIANNBRI-HXUWFJFHSA-N 3 1 329.532 3.363 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000290186200 456262066 /nfs/dbraw/zinc/26/20/66/456262066.db2.gz NXLQUPVIORTPKQ-CQSZACIVSA-N 2 1 325.447 3.252 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000290186200 456262069 /nfs/dbraw/zinc/26/20/69/456262069.db2.gz NXLQUPVIORTPKQ-CQSZACIVSA-N 2 1 325.447 3.252 20 0 EGADMP Cc1cc(C[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)n(-c2ccccc2)n1 ZINC000297626257 456266535 /nfs/dbraw/zinc/26/65/35/456266535.db2.gz LSDVTYLCONRFPV-MRXNPFEDSA-N 2 1 338.499 3.328 20 0 EGADMP CCc1cc(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)nc(C)n1 ZINC000302061141 456277905 /nfs/dbraw/zinc/27/79/05/456277905.db2.gz SYDOJEZJANUDAY-HNNXBMFYSA-N 2 1 340.471 3.180 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c[nH]nc1-c1ccccc1F ZINC000290294969 456281946 /nfs/dbraw/zinc/28/19/46/456281946.db2.gz ARPVBTRXMUUACN-UHFFFAOYSA-N 2 1 327.407 3.243 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c[nH]nc1-c1ccccc1F ZINC000290294969 456281954 /nfs/dbraw/zinc/28/19/54/456281954.db2.gz ARPVBTRXMUUACN-UHFFFAOYSA-N 2 1 327.407 3.243 20 0 EGADMP Cc1cc(C)n(CCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340184739 456298243 /nfs/dbraw/zinc/29/82/43/456298243.db2.gz ULCDUIMNRUMQDZ-VQTJNVASSA-N 2 1 326.488 3.315 20 0 EGADMP Cc1cc(C)n(CCC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340184739 456298247 /nfs/dbraw/zinc/29/82/47/456298247.db2.gz ULCDUIMNRUMQDZ-VQTJNVASSA-N 2 1 326.488 3.315 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC(OC(C)(C)C)C2)[C@@H](C)C1 ZINC000352782332 456301953 /nfs/dbraw/zinc/30/19/53/456301953.db2.gz HFWWVZVMNXYTTA-FCCDEINASA-N 2 1 326.525 3.059 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1OC(F)F ZINC000290380011 456310424 /nfs/dbraw/zinc/31/04/24/456310424.db2.gz IBIGEALFMVSOPX-GJZGRUSLSA-N 2 1 340.414 3.213 20 0 EGADMP COc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1OC(F)F ZINC000290380011 456310428 /nfs/dbraw/zinc/31/04/28/456310428.db2.gz IBIGEALFMVSOPX-GJZGRUSLSA-N 2 1 340.414 3.213 20 0 EGADMP COc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1OC(F)F ZINC000290380011 456310434 /nfs/dbraw/zinc/31/04/34/456310434.db2.gz IBIGEALFMVSOPX-GJZGRUSLSA-N 2 1 340.414 3.213 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)N2CCCCCC2)C[C@H]1c1ccccc1 ZINC000340215015 456320760 /nfs/dbraw/zinc/32/07/60/456320760.db2.gz NRNCOGNBZWBVKC-PMACEKPBSA-N 2 1 343.515 3.204 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CCC(=O)N2CCCCCC2)C[C@H]1c1ccccc1 ZINC000340215015 456320765 /nfs/dbraw/zinc/32/07/65/456320765.db2.gz NRNCOGNBZWBVKC-PMACEKPBSA-N 2 1 343.515 3.204 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000297908801 456322575 /nfs/dbraw/zinc/32/25/75/456322575.db2.gz SENWSHMAVXJOBQ-SFHVURJKSA-N 2 1 345.531 3.218 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000297908801 456322576 /nfs/dbraw/zinc/32/25/76/456322576.db2.gz SENWSHMAVXJOBQ-SFHVURJKSA-N 2 1 345.531 3.218 20 0 EGADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000290456269 456333594 /nfs/dbraw/zinc/33/35/94/456333594.db2.gz MRLDFUADZPAYJK-ZFWWWQNUSA-N 2 1 328.378 3.343 20 0 EGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000290456269 456333601 /nfs/dbraw/zinc/33/36/01/456333601.db2.gz MRLDFUADZPAYJK-ZFWWWQNUSA-N 2 1 328.378 3.343 20 0 EGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000290456269 456333605 /nfs/dbraw/zinc/33/36/05/456333605.db2.gz MRLDFUADZPAYJK-ZFWWWQNUSA-N 2 1 328.378 3.343 20 0 EGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000290456269 456333609 /nfs/dbraw/zinc/33/36/09/456333609.db2.gz MRLDFUADZPAYJK-ZFWWWQNUSA-N 2 1 328.378 3.343 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(C)o1 ZINC000290508510 456347987 /nfs/dbraw/zinc/34/79/87/456347987.db2.gz YMJWFIIFOKGOAJ-OAHLLOKOSA-N 2 1 331.460 3.473 20 0 EGADMP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000290530909 456354695 /nfs/dbraw/zinc/35/46/95/456354695.db2.gz QQZZRVPLMTWCMR-FHWLQOOXSA-N 2 1 330.472 3.286 20 0 EGADMP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000290530909 456354699 /nfs/dbraw/zinc/35/46/99/456354699.db2.gz QQZZRVPLMTWCMR-FHWLQOOXSA-N 2 1 330.472 3.286 20 0 EGADMP CN(Cc1ccnc(N)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000298073512 456357471 /nfs/dbraw/zinc/35/74/71/456357471.db2.gz JRRNYHUSLBIRAN-GOEBONIOSA-N 2 1 338.238 3.061 20 0 EGADMP CC[NH+]1CCN(C[C@@H](C)CNc2cc(C)[nH+]c3ccccc23)CC1 ZINC000302626233 456366622 /nfs/dbraw/zinc/36/66/22/456366622.db2.gz FMRLIPVKHNGYNH-INIZCTEOSA-N 2 1 326.488 3.229 20 0 EGADMP Fc1ccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCOCC2)cc1 ZINC000298220208 456395369 /nfs/dbraw/zinc/39/53/69/456395369.db2.gz AHFDYNIJQKNFBD-UHFFFAOYSA-N 2 1 332.463 3.090 20 0 EGADMP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)c1OC ZINC000347849442 456404341 /nfs/dbraw/zinc/40/43/41/456404341.db2.gz COHHLHPHXJTQQL-GOSISDBHSA-N 2 1 332.488 3.463 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)c1OC ZINC000347849442 456404344 /nfs/dbraw/zinc/40/43/44/456404344.db2.gz COHHLHPHXJTQQL-GOSISDBHSA-N 2 1 332.488 3.463 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OCC(C)C ZINC000340414565 456446333 /nfs/dbraw/zinc/44/63/33/456446333.db2.gz IMDAFLGUHHWOEA-MSOLQXFVSA-N 2 1 332.488 3.446 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OCC(C)C ZINC000340414565 456446338 /nfs/dbraw/zinc/44/63/38/456446338.db2.gz IMDAFLGUHHWOEA-MSOLQXFVSA-N 2 1 332.488 3.446 20 0 EGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000340419668 456450546 /nfs/dbraw/zinc/45/05/46/456450546.db2.gz YVFCCRXZRVPIIM-JKSUJKDBSA-N 2 1 342.487 3.384 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000282290279 456468068 /nfs/dbraw/zinc/46/80/68/456468068.db2.gz QJZDIVDSNWQICQ-UHFFFAOYSA-N 2 1 329.473 3.224 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@@H]1SC ZINC000298571859 456493637 /nfs/dbraw/zinc/49/36/37/456493637.db2.gz XCXDEXOZCRHQDL-JQHSSLGASA-N 2 1 349.475 3.318 20 0 EGADMP COc1ccc(C[N@@H+](CCn2ccnc2)[C@@H](C)C2CC2)c(OC)c1 ZINC000282573162 456556855 /nfs/dbraw/zinc/55/68/55/456556855.db2.gz ZTUUWAACQGBHEO-HNNXBMFYSA-N 2 1 329.444 3.201 20 0 EGADMP CC[N@@H+]1CCC[C@@H](CN(C)c2cc(C)cc[nH+]2)[C@H]1c1cnn(C)c1 ZINC000337867769 456576473 /nfs/dbraw/zinc/57/64/73/456576473.db2.gz LTJBEWFGQUHKDP-LPHOPBHVSA-N 2 1 327.476 3.033 20 0 EGADMP CC[N@H+]1CCC[C@@H](CN(C)c2cc(C)cc[nH+]2)[C@H]1c1cnn(C)c1 ZINC000337867769 456576479 /nfs/dbraw/zinc/57/64/79/456576479.db2.gz LTJBEWFGQUHKDP-LPHOPBHVSA-N 2 1 327.476 3.033 20 0 EGADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000353245342 456584321 /nfs/dbraw/zinc/58/43/21/456584321.db2.gz UDDYLMGJYREVAW-OXQOHEQNSA-N 2 1 346.515 3.244 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CCC)CC2)cc1 ZINC000343408988 456601419 /nfs/dbraw/zinc/60/14/19/456601419.db2.gz ZODJZLYMILCQNE-UHFFFAOYSA-N 2 1 331.504 3.086 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]CC(C)(C)C[NH+]3CCCC3)c(C)n2n1 ZINC000276937336 456624155 /nfs/dbraw/zinc/62/41/55/456624155.db2.gz TWGPLYQTTDJHBL-HNNXBMFYSA-N 2 1 329.492 3.119 20 0 EGADMP Cc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)c(-c2cnn(C)c2)c1 ZINC000282892710 456658347 /nfs/dbraw/zinc/65/83/47/456658347.db2.gz YATBDJXCQLDEGT-UHFFFAOYSA-N 2 1 326.488 3.358 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CSCCc3ccccc32)CCCO1 ZINC000348422089 456680502 /nfs/dbraw/zinc/68/05/02/456680502.db2.gz MZLLZQAWCNEWBE-QFBILLFUSA-N 2 1 334.529 3.108 20 0 EGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nc(C4CC4)cs3)CC2)C[C@@H](C)O1 ZINC000343523000 456681122 /nfs/dbraw/zinc/68/11/22/456681122.db2.gz IHVMTTYTIAGAAY-HUUCEWRRSA-N 2 1 349.544 3.342 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(CC)c1ccccc1 ZINC000277122358 456689352 /nfs/dbraw/zinc/68/93/52/456689352.db2.gz HVXNTVUGJACSBN-UHFFFAOYSA-N 2 1 342.487 3.211 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(CC)c1ccccc1 ZINC000277122358 456689355 /nfs/dbraw/zinc/68/93/55/456689355.db2.gz HVXNTVUGJACSBN-UHFFFAOYSA-N 2 1 342.487 3.211 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000277216116 456727915 /nfs/dbraw/zinc/72/79/15/456727915.db2.gz NQMHCXDLVMQQTO-MRXNPFEDSA-N 2 1 348.878 3.349 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000353523560 456735344 /nfs/dbraw/zinc/73/53/44/456735344.db2.gz JZQRZKTZKYGKNO-OXJNMPFZSA-N 2 1 329.488 3.389 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338272551 456742608 /nfs/dbraw/zinc/74/26/08/456742608.db2.gz BIPDBRKSGFYCAZ-OAHLLOKOSA-N 2 1 349.906 3.030 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338272551 456742614 /nfs/dbraw/zinc/74/26/14/456742614.db2.gz BIPDBRKSGFYCAZ-OAHLLOKOSA-N 2 1 349.906 3.030 20 0 EGADMP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+](C)CCCN(C)Cc1ccco1 ZINC000353559254 456760289 /nfs/dbraw/zinc/76/02/89/456760289.db2.gz ZZVJASXHRAOFRQ-KRWDZBQOSA-N 2 1 349.519 3.213 20 0 EGADMP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000353559254 456760296 /nfs/dbraw/zinc/76/02/96/456760296.db2.gz ZZVJASXHRAOFRQ-KRWDZBQOSA-N 2 1 349.519 3.213 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000338309382 456765248 /nfs/dbraw/zinc/76/52/48/456765248.db2.gz ULIAEZWTUFFQCZ-INIZCTEOSA-N 2 1 327.472 3.413 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000338309382 456765249 /nfs/dbraw/zinc/76/52/49/456765249.db2.gz ULIAEZWTUFFQCZ-INIZCTEOSA-N 2 1 327.472 3.413 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000283388960 456771481 /nfs/dbraw/zinc/77/14/81/456771481.db2.gz UEIJMTYTETUADH-JOCHJYFZSA-N 2 1 343.559 3.500 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000344284926 456813089 /nfs/dbraw/zinc/81/30/89/456813089.db2.gz DCFDGECNMMXCQD-HNNXBMFYSA-N 2 1 339.252 3.427 20 0 EGADMP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000338434494 456816596 /nfs/dbraw/zinc/81/65/96/456816596.db2.gz CUOBJRCQCPTXTQ-ROUUACIJSA-N 2 1 343.515 3.275 20 0 EGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(OCc4ccncc4)cc3)C2)C1 ZINC000292062474 456844206 /nfs/dbraw/zinc/84/42/06/456844206.db2.gz CRTKQNGZHPISGP-NRFANRHFSA-N 2 1 337.467 3.188 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(OCc4ccncc4)cc3)C2)C1 ZINC000292062474 456844213 /nfs/dbraw/zinc/84/42/13/456844213.db2.gz CRTKQNGZHPISGP-NRFANRHFSA-N 2 1 337.467 3.188 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(OCc4ccncc4)cc3)C2)C1 ZINC000292062474 456844217 /nfs/dbraw/zinc/84/42/17/456844217.db2.gz CRTKQNGZHPISGP-NRFANRHFSA-N 2 1 337.467 3.188 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(OCc4ccncc4)cc3)C2)C1 ZINC000292062474 456844222 /nfs/dbraw/zinc/84/42/22/456844222.db2.gz CRTKQNGZHPISGP-NRFANRHFSA-N 2 1 337.467 3.188 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@@H]1C ZINC000353749744 456888849 /nfs/dbraw/zinc/88/88/49/456888849.db2.gz MGXVPRQRJWRPDD-MAUKXSAKSA-N 2 1 342.487 3.390 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@@H]1C ZINC000353749744 456888854 /nfs/dbraw/zinc/88/88/54/456888854.db2.gz MGXVPRQRJWRPDD-MAUKXSAKSA-N 2 1 342.487 3.390 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@@H]1C ZINC000353749744 456888859 /nfs/dbraw/zinc/88/88/59/456888859.db2.gz MGXVPRQRJWRPDD-MAUKXSAKSA-N 2 1 342.487 3.390 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@@H]1C ZINC000353749744 456888863 /nfs/dbraw/zinc/88/88/63/456888863.db2.gz MGXVPRQRJWRPDD-MAUKXSAKSA-N 2 1 342.487 3.390 20 0 EGADMP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339066170 456924660 /nfs/dbraw/zinc/92/46/60/456924660.db2.gz IGNDBBBQIYTPRD-RTWAWAEBSA-N 3 1 327.516 3.115 20 0 EGADMP FC(F)(F)COc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339069121 456925390 /nfs/dbraw/zinc/92/53/90/456925390.db2.gz RCNYNWQJBPCMOO-HUUCEWRRSA-N 2 1 328.378 3.344 20 0 EGADMP FC(F)(F)COc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339069121 456925392 /nfs/dbraw/zinc/92/53/92/456925392.db2.gz RCNYNWQJBPCMOO-HUUCEWRRSA-N 2 1 328.378 3.344 20 0 EGADMP O=C(Nc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1)c1ccco1 ZINC000339073044 456927003 /nfs/dbraw/zinc/92/70/03/456927003.db2.gz ZBOSGKCCCGVSBL-ZWKOTPCHSA-N 2 1 339.439 3.248 20 0 EGADMP CC1CC[NH+](Cc2ccccc2CNc2[nH+]cnc3[nH]ccc32)CC1 ZINC000339133819 456956626 /nfs/dbraw/zinc/95/66/26/456956626.db2.gz PYCGRSHSANNPGE-UHFFFAOYSA-N 2 1 335.455 3.224 20 0 EGADMP c1cc2c(nc[nH+]c2NCc2cccc(C[NH+]3CCCCCC3)c2)[nH]1 ZINC000339141331 456960144 /nfs/dbraw/zinc/96/01/44/456960144.db2.gz OVSLQWKWAFEXEC-UHFFFAOYSA-N 2 1 335.455 3.368 20 0 EGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000349445152 456969331 /nfs/dbraw/zinc/96/93/31/456969331.db2.gz FCJRCVDMECAEKA-DNVCBOLYSA-N 2 1 336.907 3.400 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)CC[C@@H]2C)cc1)C(C)C ZINC000354005234 457001716 /nfs/dbraw/zinc/00/17/16/457001716.db2.gz FTWMNHZZZGVWKJ-KRWDZBQOSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1)C(C)C ZINC000354005234 457001717 /nfs/dbraw/zinc/00/17/17/457001717.db2.gz FTWMNHZZZGVWKJ-KRWDZBQOSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1)C(C)C ZINC000354005234 457001718 /nfs/dbraw/zinc/00/17/18/457001718.db2.gz FTWMNHZZZGVWKJ-KRWDZBQOSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC000362646663 457024394 /nfs/dbraw/zinc/02/43/94/457024394.db2.gz QAQVRQVYNZEMSA-UYAOXDASSA-N 2 1 345.531 3.164 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc3cc(OC)ccc3o2)C1 ZINC000354081738 457049514 /nfs/dbraw/zinc/04/95/14/457049514.db2.gz GWIZIEBVDAYEOZ-SFHVURJKSA-N 2 1 346.471 3.374 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362701178 457051963 /nfs/dbraw/zinc/05/19/63/457051963.db2.gz FJMDXPYIQZADMO-NSISKUIASA-N 2 1 333.495 3.235 20 0 EGADMP CC[C@@H](C(=O)NCCC[NH+]1CCCC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000339358982 457066891 /nfs/dbraw/zinc/06/68/91/457066891.db2.gz BJWLHZCYSRRODM-QUCCMNQESA-N 2 1 345.531 3.278 20 0 EGADMP CC[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000339358982 457066897 /nfs/dbraw/zinc/06/68/97/457066897.db2.gz BJWLHZCYSRRODM-QUCCMNQESA-N 2 1 345.531 3.278 20 0 EGADMP CC[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000339358982 457066901 /nfs/dbraw/zinc/06/69/01/457066901.db2.gz BJWLHZCYSRRODM-QUCCMNQESA-N 2 1 345.531 3.278 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342113210 457113983 /nfs/dbraw/zinc/11/39/83/457113983.db2.gz BLUXQQUYLXTHMN-XIVBQZFQSA-N 2 1 337.467 3.226 20 0 EGADMP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000354182522 457115773 /nfs/dbraw/zinc/11/57/73/457115773.db2.gz QSWSDBVPAOGILR-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000354182522 457115777 /nfs/dbraw/zinc/11/57/77/457115777.db2.gz QSWSDBVPAOGILR-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000354182522 457115782 /nfs/dbraw/zinc/11/57/82/457115782.db2.gz QSWSDBVPAOGILR-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000354182522 457115787 /nfs/dbraw/zinc/11/57/87/457115787.db2.gz QSWSDBVPAOGILR-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@H]21 ZINC000342141445 457132489 /nfs/dbraw/zinc/13/24/89/457132489.db2.gz VAUXSQXWSSDRMJ-HMXCVIKNSA-N 2 1 349.478 3.498 20 0 EGADMP CCC[N@@H+](CC)CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000350017521 457145367 /nfs/dbraw/zinc/14/53/67/457145367.db2.gz JKTGDWHVXDCCBB-UHFFFAOYSA-N 2 1 331.504 3.134 20 0 EGADMP CCC[C@H](C)[C@@H](CC)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000359949535 457166926 /nfs/dbraw/zinc/16/69/26/457166926.db2.gz JZGOHTDCQZOGQJ-FXAWDEMLSA-N 2 1 345.531 3.379 20 0 EGADMP C[C@H](CCOCc1ccccc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000342251927 457191175 /nfs/dbraw/zinc/19/11/75/457191175.db2.gz RCFJPAJXPLZGSF-OAHLLOKOSA-N 2 1 333.501 3.290 20 0 EGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)c1cccc(Br)c1 ZINC000360041725 457219183 /nfs/dbraw/zinc/21/91/83/457219183.db2.gz ZGPZKTRLQSLJDS-MRXNPFEDSA-N 2 1 343.309 3.458 20 0 EGADMP C[NH+](C)CC1CC[NH+](Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000363092090 457220891 /nfs/dbraw/zinc/22/08/91/457220891.db2.gz GVXSBXPEGNMPEK-UHFFFAOYSA-N 2 1 334.851 3.164 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC000354494476 457256657 /nfs/dbraw/zinc/25/66/57/457256657.db2.gz GEAUZTITBUJGOX-JYBIWHBTSA-N 2 1 346.515 3.464 20 0 EGADMP C[C@H]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000351474011 457298731 /nfs/dbraw/zinc/29/87/31/457298731.db2.gz XCVZWDRYJQHMPZ-FPOVZHCZSA-N 2 1 329.532 3.457 20 0 EGADMP C[C@H]1CCN(CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000351474011 457298735 /nfs/dbraw/zinc/29/87/35/457298735.db2.gz XCVZWDRYJQHMPZ-FPOVZHCZSA-N 2 1 329.532 3.457 20 0 EGADMP C[C@H]1CCN(CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000351474011 457298740 /nfs/dbraw/zinc/29/87/40/457298740.db2.gz XCVZWDRYJQHMPZ-FPOVZHCZSA-N 2 1 329.532 3.457 20 0 EGADMP COc1cc(C)nc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000339832180 457298855 /nfs/dbraw/zinc/29/88/55/457298855.db2.gz ZKIWEDWCQFLZRG-UHFFFAOYSA-N 2 1 343.446 3.246 20 0 EGADMP CCC[N@@H+](CCOCC[NH3+])[C@H](C)c1ccccc1Br ZINC000357102218 457323825 /nfs/dbraw/zinc/32/38/25/457323825.db2.gz JAUWBAPWDJAQJF-CYBMUJFWSA-N 2 1 329.282 3.197 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC[C@@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000352432516 457362225 /nfs/dbraw/zinc/36/22/25/457362225.db2.gz QPIOQRMYCMBURG-HKBOAZHASA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC[C@@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000352432516 457362231 /nfs/dbraw/zinc/36/22/31/457362231.db2.gz QPIOQRMYCMBURG-HKBOAZHASA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC[C@@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000352432516 457362237 /nfs/dbraw/zinc/36/22/37/457362237.db2.gz QPIOQRMYCMBURG-HKBOAZHASA-N 2 1 328.500 3.400 20 0 EGADMP FC(F)(F)COc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352535677 457446522 /nfs/dbraw/zinc/44/65/22/457446522.db2.gz UHEHJGZBNUDUDF-INIZCTEOSA-N 2 1 328.378 3.203 20 0 EGADMP FC(F)(F)COc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352535677 457446525 /nfs/dbraw/zinc/44/65/25/457446525.db2.gz UHEHJGZBNUDUDF-INIZCTEOSA-N 2 1 328.378 3.203 20 0 EGADMP Clc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352539684 457449368 /nfs/dbraw/zinc/44/93/68/457449368.db2.gz BTQVQOHTPOOSOE-GOSISDBHSA-N 2 1 330.863 3.306 20 0 EGADMP Clc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352539684 457449371 /nfs/dbraw/zinc/44/93/71/457449371.db2.gz BTQVQOHTPOOSOE-GOSISDBHSA-N 2 1 330.863 3.306 20 0 EGADMP Fc1ccc(Br)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000394089362 457469910 /nfs/dbraw/zinc/46/99/10/457469910.db2.gz MFFYRTWAUJVNKI-TXEJJXNPSA-N 2 1 327.241 3.020 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000347528877 457488691 /nfs/dbraw/zinc/48/86/91/457488691.db2.gz TWXFXWQLOPRSMT-SJORKVTESA-N 2 1 341.499 3.016 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCCC[NH+]1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000356165348 457500772 /nfs/dbraw/zinc/50/07/72/457500772.db2.gz HRYWAEHPWWOHEL-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[NH+](C)Cc1ccccc1 ZINC000356165348 457500781 /nfs/dbraw/zinc/50/07/81/457500781.db2.gz HRYWAEHPWWOHEL-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)[NH+](C)Cc1ccccc1 ZINC000356165348 457500785 /nfs/dbraw/zinc/50/07/85/457500785.db2.gz HRYWAEHPWWOHEL-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+][C@@H]3C)cc2)C1 ZINC000342762709 457507225 /nfs/dbraw/zinc/50/72/25/457507225.db2.gz ZMGSXLZBHRNVTK-GPMSIDNRSA-N 2 1 329.488 3.245 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCC[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000400618106 457518094 /nfs/dbraw/zinc/51/80/94/457518094.db2.gz YONLOHPYWOYNOC-TUFLPTIASA-N 2 1 328.500 3.303 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCC[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000400618095 457518798 /nfs/dbraw/zinc/51/87/98/457518798.db2.gz YONLOHPYWOYNOC-ANULTFPQSA-N 2 1 328.500 3.303 20 0 EGADMP Cc1nccn1CCC[N@@H+]1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000347579614 457521569 /nfs/dbraw/zinc/52/15/69/457521569.db2.gz JZTNOQPVFGQMQX-MSOLQXFVSA-N 2 1 326.488 3.176 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000401130666 457524647 /nfs/dbraw/zinc/52/46/47/457524647.db2.gz NQDBLWSSNBFNJB-OBJCFNGXSA-N 3 1 327.516 3.017 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000401130666 457524650 /nfs/dbraw/zinc/52/46/50/457524650.db2.gz NQDBLWSSNBFNJB-OBJCFNGXSA-N 3 1 327.516 3.017 20 0 EGADMP COC(=O)[C@@H](CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000425414291 457542505 /nfs/dbraw/zinc/54/25/05/457542505.db2.gz FSNMSICVIVUSPN-ICSRJNTNSA-N 2 1 344.499 3.141 20 0 EGADMP COC(=O)[C@@H](CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000425414291 457542510 /nfs/dbraw/zinc/54/25/10/457542510.db2.gz FSNMSICVIVUSPN-ICSRJNTNSA-N 2 1 344.499 3.141 20 0 EGADMP COc1ccc2oc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)cc2c1 ZINC000374257554 457549441 /nfs/dbraw/zinc/54/94/41/457549441.db2.gz ZBYHOZHPZHWAFK-QKYXUNIQSA-N 2 1 344.455 3.125 20 0 EGADMP COc1ccc2oc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)cc2c1 ZINC000374257554 457549446 /nfs/dbraw/zinc/54/94/46/457549446.db2.gz ZBYHOZHPZHWAFK-QKYXUNIQSA-N 2 1 344.455 3.125 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347638061 457566811 /nfs/dbraw/zinc/56/68/11/457566811.db2.gz MLCRUDVESJFUDQ-OAGGEKHMSA-N 2 1 336.549 3.042 20 0 EGADMP CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000352743047 457576142 /nfs/dbraw/zinc/57/61/42/457576142.db2.gz SNORXBFQAOTQAB-ZBFHGGJFSA-N 2 1 325.522 3.278 20 0 EGADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000370306222 457614968 /nfs/dbraw/zinc/61/49/68/457614968.db2.gz UCXLSFRIRMGLFK-PCCBWWKXSA-N 2 1 330.516 3.346 20 0 EGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000357620839 457627928 /nfs/dbraw/zinc/62/79/28/457627928.db2.gz WPOGTNXDFPCUJU-QGZVFWFLSA-N 2 1 348.535 3.056 20 0 EGADMP C[C@@H](C[NH2+][C@@H]1CCc2c1cc(Br)cc2F)C[NH+](C)C ZINC000425943115 457657407 /nfs/dbraw/zinc/65/74/07/457657407.db2.gz PSGKDHCMYSIXLB-ZUZCIYMTSA-N 2 1 329.257 3.363 20 0 EGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3nc4ccccc4o3)CC2)C[C@H](C)O1 ZINC000361257619 457669626 /nfs/dbraw/zinc/66/96/26/457669626.db2.gz JXYKIIIZRCKHLI-HOTGVXAUSA-N 2 1 343.471 3.149 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2OC)C1 ZINC000361302273 457685053 /nfs/dbraw/zinc/68/50/53/457685053.db2.gz VOXAMYSGIYNTBC-QGZVFWFLSA-N 2 1 340.895 3.281 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2OC)C1 ZINC000361302273 457685056 /nfs/dbraw/zinc/68/50/56/457685056.db2.gz VOXAMYSGIYNTBC-QGZVFWFLSA-N 2 1 340.895 3.281 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370670588 457696054 /nfs/dbraw/zinc/69/60/54/457696054.db2.gz FDXJUYUYLSBZDX-CGTJXYLNSA-N 2 1 329.488 3.183 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCCCC1 ZINC000357813401 457699425 /nfs/dbraw/zinc/69/94/25/457699425.db2.gz GWNLDNDIPUXSAJ-NSHGMRRFSA-N 2 1 343.515 3.203 20 0 EGADMP CC(C)[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000358005509 457737555 /nfs/dbraw/zinc/73/75/55/457737555.db2.gz NHZGEQZEPDTZQC-QMMLZNLJSA-N 2 1 329.532 3.142 20 0 EGADMP CC(C)[C@H](CN[C@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000358005509 457737557 /nfs/dbraw/zinc/73/75/57/457737557.db2.gz NHZGEQZEPDTZQC-QMMLZNLJSA-N 2 1 329.532 3.142 20 0 EGADMP CC(C)[C@H](CN[C@H]1CC[NH+](C)[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000358005509 457737561 /nfs/dbraw/zinc/73/75/61/457737561.db2.gz NHZGEQZEPDTZQC-QMMLZNLJSA-N 2 1 329.532 3.142 20 0 EGADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000358005509 457737564 /nfs/dbraw/zinc/73/75/64/457737564.db2.gz NHZGEQZEPDTZQC-QMMLZNLJSA-N 2 1 329.532 3.142 20 0 EGADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000358005509 457737569 /nfs/dbraw/zinc/73/75/69/457737569.db2.gz NHZGEQZEPDTZQC-QMMLZNLJSA-N 2 1 329.532 3.142 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000358014118 457739636 /nfs/dbraw/zinc/73/96/36/457739636.db2.gz BOIQHZUYRPLZIS-HNNXBMFYSA-N 2 1 347.503 3.425 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)CC1CCCC1 ZINC000358038325 457747462 /nfs/dbraw/zinc/74/74/62/457747462.db2.gz SFMJCMYPXYXRRM-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H](c4ncc[nH]4)C3)s2)cn1 ZINC000375023688 457760586 /nfs/dbraw/zinc/76/05/86/457760586.db2.gz NEIFFKBTIGVHNP-CYBMUJFWSA-N 2 1 327.457 3.251 20 0 EGADMP C[C@@H](NC(=O)C1C[NH+](C2CCCCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000457693899 457796251 /nfs/dbraw/zinc/79/62/51/457796251.db2.gz IFKVYEKSTWCWRA-IAGOWNOFSA-N 2 1 347.547 3.020 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(=O)NC(C)(C)C)cc1 ZINC000358136366 457808715 /nfs/dbraw/zinc/80/87/15/457808715.db2.gz TWMOVQCMCCIEDI-AWEZNQCLSA-N 2 1 328.460 3.136 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCS[C@H](C)CC2)CC1 ZINC000426389471 457819405 /nfs/dbraw/zinc/81/94/05/457819405.db2.gz LNYPCOHTBZSCHX-QGZVFWFLSA-N 2 1 333.545 3.156 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1nnn(-c2ccccc2)c1C ZINC000361757102 457837657 /nfs/dbraw/zinc/83/76/57/457837657.db2.gz WPHKVKRJCAKTRB-OAHLLOKOSA-N 2 1 338.459 3.212 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCc1ccc(Cl)cc1 ZINC000371295905 457852877 /nfs/dbraw/zinc/85/28/77/457852877.db2.gz VSJMGWZJLMCXKG-QRVBRYPASA-N 2 1 336.907 3.456 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000371295042 457853412 /nfs/dbraw/zinc/85/34/12/457853412.db2.gz OIWIUACVOGXNFK-IKGGRYGDSA-N 2 1 342.405 3.389 20 0 EGADMP Cc1nnc([C@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000411419136 457882499 /nfs/dbraw/zinc/88/24/99/457882499.db2.gz SJQMNDVFDSARRD-INIZCTEOSA-N 2 1 339.487 3.162 20 0 EGADMP Cc1nnc([C@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000411419136 457882506 /nfs/dbraw/zinc/88/25/06/457882506.db2.gz SJQMNDVFDSARRD-INIZCTEOSA-N 2 1 339.487 3.162 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(SC2CCCC2)cc1 ZINC000358259043 457894168 /nfs/dbraw/zinc/89/41/68/457894168.db2.gz UDDBIZQOQGRLQW-KXBFYZLASA-N 2 1 334.529 3.439 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(SC2CCCC2)cc1 ZINC000358259043 457894172 /nfs/dbraw/zinc/89/41/72/457894172.db2.gz UDDBIZQOQGRLQW-KXBFYZLASA-N 2 1 334.529 3.439 20 0 EGADMP Cc1ccc2cc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)ccc2n1 ZINC000375356394 457895170 /nfs/dbraw/zinc/89/51/70/457895170.db2.gz NJLWDBWXKLJNQO-HLAWJBBLSA-N 2 1 339.483 3.227 20 0 EGADMP CCOC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH+](CC)CC)nc1 ZINC000411555738 457918799 /nfs/dbraw/zinc/91/87/99/457918799.db2.gz WREYOWAQRXPVPN-MJGOQNOKSA-N 2 1 347.503 3.249 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C ZINC000411620235 457929983 /nfs/dbraw/zinc/92/99/83/457929983.db2.gz LXUXDAWSOXXIME-YLJYHZDGSA-N 2 1 344.499 3.304 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1C ZINC000411626366 457932256 /nfs/dbraw/zinc/93/22/56/457932256.db2.gz ZQVHMIQQJXPYIS-PXNSSMCTSA-N 2 1 344.499 3.304 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC000434055876 457938813 /nfs/dbraw/zinc/93/88/13/457938813.db2.gz AQTWOIBMXDYUKA-VQTJNVASSA-N 2 1 343.515 3.203 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2nc(C)c(C)s2)[C@@H](C)C1 ZINC000361944071 457970727 /nfs/dbraw/zinc/97/07/27/457970727.db2.gz GJUKNKYSTWPQEV-WMLDXEAASA-N 2 1 339.549 3.029 20 0 EGADMP CCOC1CC(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000375716711 458034112 /nfs/dbraw/zinc/03/41/12/458034112.db2.gz LPGXTIPTQNKEQS-FWYSVENZSA-N 2 1 338.536 3.013 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CCCc4ccccc43)C2)CC1 ZINC000375906092 458119365 /nfs/dbraw/zinc/11/93/65/458119365.db2.gz OFVVMSWNHMDOBB-CTNGQTDRSA-N 2 1 327.516 3.164 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000435372471 458122552 /nfs/dbraw/zinc/12/25/52/458122552.db2.gz JPXDNKXCIILIID-HZPDHXFCSA-N 2 1 326.488 3.339 20 0 EGADMP Cn1cnc2cc(C[N@H+](Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)ccc21 ZINC000435393885 458136275 /nfs/dbraw/zinc/13/62/75/458136275.db2.gz LRWCVNXYVJJKPK-LJQANCHMSA-N 2 1 349.482 3.113 20 0 EGADMP Cn1cnc2cc(C[N@@H+](Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)ccc21 ZINC000435393885 458136282 /nfs/dbraw/zinc/13/62/82/458136282.db2.gz LRWCVNXYVJJKPK-LJQANCHMSA-N 2 1 349.482 3.113 20 0 EGADMP COc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000435447716 458149630 /nfs/dbraw/zinc/14/96/30/458149630.db2.gz QSDMQFICFGKPFO-AWEZNQCLSA-N 2 1 346.393 3.210 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCCN2CCCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000358717941 458168211 /nfs/dbraw/zinc/16/82/11/458168211.db2.gz GRFFHGJSQBKSOO-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCCN2CCCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC000358717941 458168216 /nfs/dbraw/zinc/16/82/16/458168216.db2.gz GRFFHGJSQBKSOO-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435615263 458172903 /nfs/dbraw/zinc/17/29/03/458172903.db2.gz OWNKQEYFFBQEEG-DOTOQJQBSA-N 2 1 349.544 3.048 20 0 EGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435615263 458172908 /nfs/dbraw/zinc/17/29/08/458172908.db2.gz OWNKQEYFFBQEEG-DOTOQJQBSA-N 2 1 349.544 3.048 20 0 EGADMP CC[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435628071 458176184 /nfs/dbraw/zinc/17/61/84/458176184.db2.gz TYYDUDOFERDZIS-FQEVSTJZSA-N 2 1 343.515 3.277 20 0 EGADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)ccc1F ZINC000358755435 458195820 /nfs/dbraw/zinc/19/58/20/458195820.db2.gz SNWJLIPGLAUCLP-VQIMIIECSA-N 2 1 340.458 3.488 20 0 EGADMP C[N@H+]1CCC[C@@H](CCNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412417413 458197442 /nfs/dbraw/zinc/19/74/42/458197442.db2.gz KOHOBEYELSLEFH-SFHVURJKSA-N 2 1 343.515 3.134 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)cc2)C1 ZINC000435892088 458219060 /nfs/dbraw/zinc/21/90/60/458219060.db2.gz JFPCEJLKPGWIFI-YRISNDGFSA-N 2 1 341.499 3.247 20 0 EGADMP COc1cccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000436295918 458284255 /nfs/dbraw/zinc/28/42/55/458284255.db2.gz IFEBBIHUTIVHGF-QFBILLFUSA-N 2 1 331.504 3.408 20 0 EGADMP Cc1cnc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1 ZINC000447583933 458316312 /nfs/dbraw/zinc/31/63/12/458316312.db2.gz DHUNZDMVXZRRKN-ACDBMABISA-N 2 1 336.483 3.113 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCSCc1ccccc1 ZINC000376490014 458316252 /nfs/dbraw/zinc/31/62/52/458316252.db2.gz FWPFTAKVEALRBI-VAMGGRTRSA-N 2 1 348.556 3.493 20 0 EGADMP CC[NH2+]CC1CCN(C(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)CC1 ZINC000429500891 458338233 /nfs/dbraw/zinc/33/82/33/458338233.db2.gz ZCUIOJVYTXSUSF-UHFFFAOYSA-N 2 1 343.515 3.133 20 0 EGADMP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000459370400 458346695 /nfs/dbraw/zinc/34/66/95/458346695.db2.gz IGFBCKCUXAPEBJ-ROUUACIJSA-N 2 1 341.543 3.337 20 0 EGADMP C[C@@H]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000429577206 458347750 /nfs/dbraw/zinc/34/77/50/458347750.db2.gz DZMZNDXODNYXBT-XLIONFOSSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1CN(c2ccccc2C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000459376826 458349922 /nfs/dbraw/zinc/34/99/22/458349922.db2.gz NUSJLVHMIUPLPD-QUCCMNQESA-N 2 1 345.531 3.218 20 0 EGADMP C[C@@H]1CN(c2ccccc2C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000459376826 458349926 /nfs/dbraw/zinc/34/99/26/458349926.db2.gz NUSJLVHMIUPLPD-QUCCMNQESA-N 2 1 345.531 3.218 20 0 EGADMP C[C@@H]1CN(c2ccccc2C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000459376826 458349930 /nfs/dbraw/zinc/34/99/30/458349930.db2.gz NUSJLVHMIUPLPD-QUCCMNQESA-N 2 1 345.531 3.218 20 0 EGADMP C[C@@H]1CN(c2ccccc2C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)CCO1 ZINC000459376826 458349934 /nfs/dbraw/zinc/34/99/34/458349934.db2.gz NUSJLVHMIUPLPD-QUCCMNQESA-N 2 1 345.531 3.218 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC)CC2)[C@H]1Sc1ccccc1 ZINC000459378704 458350821 /nfs/dbraw/zinc/35/08/21/458350821.db2.gz ZIXDUFCXMHTULI-GUDVDZBRSA-N 2 1 334.529 3.399 20 0 EGADMP CCOc1cc(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)ccc1O ZINC000459410757 458362408 /nfs/dbraw/zinc/36/24/08/458362408.db2.gz KPJXDGYBNCQYKL-UHFFFAOYSA-N 2 1 341.455 3.253 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1Sc1ccccc1 ZINC000459415976 458363347 /nfs/dbraw/zinc/36/33/47/458363347.db2.gz BUAUEWXLUOSRJO-WAARBJQMSA-N 2 1 334.529 3.397 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1Sc1ccccc1 ZINC000459415976 458363352 /nfs/dbraw/zinc/36/33/52/458363352.db2.gz BUAUEWXLUOSRJO-WAARBJQMSA-N 2 1 334.529 3.397 20 0 EGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000447900369 458364142 /nfs/dbraw/zinc/36/41/42/458364142.db2.gz BQRKJTJTMNCTPT-FQEVSTJZSA-N 2 1 329.532 3.361 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)[C@@H](C)C1 ZINC000423435925 458432832 /nfs/dbraw/zinc/43/28/32/458432832.db2.gz DYCZMMMFWQUPBD-PXNSSMCTSA-N 2 1 345.531 3.271 20 0 EGADMP Clc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CC2)cc1Cl ZINC000423492307 458442781 /nfs/dbraw/zinc/44/27/81/458442781.db2.gz MNBMIJRHTKWPJM-BBRMVZONSA-N 2 1 329.271 3.413 20 0 EGADMP Fc1cccc(C[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2cccc(F)c2)c1 ZINC000423494448 458443891 /nfs/dbraw/zinc/44/38/91/458443891.db2.gz SBLUFRBTRJLEMA-WOJBJXKFSA-N 2 1 346.421 3.217 20 0 EGADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000423505531 458446484 /nfs/dbraw/zinc/44/64/84/458446484.db2.gz LVPBIZYADOQQSI-NXNFSMPISA-N 3 1 327.516 3.004 20 0 EGADMP C[C@H]1C[C@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000423527201 458452819 /nfs/dbraw/zinc/45/28/19/458452819.db2.gz LYMJSDWGUDZDJN-OUFMZXHOSA-N 2 1 349.522 3.385 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000373311327 458458544 /nfs/dbraw/zinc/45/85/44/458458544.db2.gz POXFOPFBKKPNOC-INIZCTEOSA-N 2 1 336.549 3.356 20 0 EGADMP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)n2)cc1F ZINC000430571094 458464198 /nfs/dbraw/zinc/46/41/98/458464198.db2.gz LDVOZMYSWTUKNC-HOCLYGCPSA-N 2 1 346.450 3.176 20 0 EGADMP C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)CC(C)(C)C[NH3+] ZINC000430593075 458468429 /nfs/dbraw/zinc/46/84/29/458468429.db2.gz CYQIPZJSTNQPAS-UHFFFAOYSA-N 2 1 325.456 3.356 20 0 EGADMP C[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)CC(C)(C)C[NH3+] ZINC000430599143 458469387 /nfs/dbraw/zinc/46/93/87/458469387.db2.gz VFTLKQOWEPQCII-UHFFFAOYSA-N 2 1 325.456 3.356 20 0 EGADMP C[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)CC(C)(C)C[NH3+] ZINC000430599143 458469392 /nfs/dbraw/zinc/46/93/92/458469392.db2.gz VFTLKQOWEPQCII-UHFFFAOYSA-N 2 1 325.456 3.356 20 0 EGADMP Fc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000377760052 458514982 /nfs/dbraw/zinc/51/49/82/458514982.db2.gz INHNVKJTPBMGDF-ROUUACIJSA-N 2 1 325.431 3.175 20 0 EGADMP CCC[N@H+](CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000431067940 458523032 /nfs/dbraw/zinc/52/30/32/458523032.db2.gz AIWTXJWNBUPENV-INIZCTEOSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000431067940 458523036 /nfs/dbraw/zinc/52/30/36/458523036.db2.gz AIWTXJWNBUPENV-INIZCTEOSA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431082524 458526477 /nfs/dbraw/zinc/52/64/77/458526477.db2.gz VBJVWLZDGCEJGH-OAHLLOKOSA-N 2 1 334.439 3.102 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccc(Br)c2)[C@@H](C)C1 ZINC000468548161 458526812 /nfs/dbraw/zinc/52/68/12/458526812.db2.gz NRGYFANFRSZEDO-BBRMVZONSA-N 2 1 325.294 3.312 20 0 EGADMP COCCC[NH+]1CCC(Nc2cc(C)c3ccc(C)cc3[nH+]2)CC1 ZINC000460943902 458541153 /nfs/dbraw/zinc/54/11/53/458541153.db2.gz OUFJWLCFKZMJDM-UHFFFAOYSA-N 2 1 327.472 3.186 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ccc(F)cc3F)C2)CC1 ZINC000377830974 458544930 /nfs/dbraw/zinc/54/49/30/458544930.db2.gz ITFBJDIOSAOQLH-DOTOQJQBSA-N 2 1 337.458 3.126 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccc(F)cc3F)C2)CC1 ZINC000377830974 458544935 /nfs/dbraw/zinc/54/49/35/458544935.db2.gz ITFBJDIOSAOQLH-DOTOQJQBSA-N 2 1 337.458 3.126 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000377833671 458545179 /nfs/dbraw/zinc/54/51/79/458545179.db2.gz FNSPLBKXHJYHDA-HMXCVIKNSA-N 2 1 344.499 3.161 20 0 EGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000377833671 458545182 /nfs/dbraw/zinc/54/51/82/458545182.db2.gz FNSPLBKXHJYHDA-HMXCVIKNSA-N 2 1 344.499 3.161 20 0 EGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000377833671 458545188 /nfs/dbraw/zinc/54/51/88/458545188.db2.gz FNSPLBKXHJYHDA-HMXCVIKNSA-N 2 1 344.499 3.161 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000424080419 458553152 /nfs/dbraw/zinc/55/31/52/458553152.db2.gz VOPMIVPWCWDUGP-HLIPFELVSA-N 2 1 345.531 3.364 20 0 EGADMP [NH3+][C@H](CCC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)CC1CCCCC1 ZINC000424155583 458572095 /nfs/dbraw/zinc/57/20/95/458572095.db2.gz MXPZDYZDIJOZJQ-QZTJIDSGSA-N 2 1 335.536 3.197 20 0 EGADMP CC[C@@H](C(=O)Nc1cc(C)cc(C[NH3+])c1)[N@@H+](C)Cc1ccccc1 ZINC000424252096 458592967 /nfs/dbraw/zinc/59/29/67/458592967.db2.gz YNDBAUUIKOQINI-IBGZPJMESA-N 2 1 325.456 3.303 20 0 EGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000462116578 458594539 /nfs/dbraw/zinc/59/45/39/458594539.db2.gz OSTQNDFBXHMQRU-FCHUYYIVSA-N 2 1 338.495 3.234 20 0 EGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000462116578 458594545 /nfs/dbraw/zinc/59/45/45/458594545.db2.gz OSTQNDFBXHMQRU-FCHUYYIVSA-N 2 1 338.495 3.234 20 0 EGADMP CC(C)c1ccc(CC[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000469954458 458603001 /nfs/dbraw/zinc/60/30/01/458603001.db2.gz VFZBUZMJTNOYQE-DENIHFKCSA-N 2 1 343.559 3.310 20 0 EGADMP Cc1ccc(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(Cl)c1 ZINC000424295027 458606170 /nfs/dbraw/zinc/60/61/70/458606170.db2.gz QNIREOUPMLIVPL-AWEZNQCLSA-N 2 1 335.879 3.051 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(Cl)c1 ZINC000424295027 458606174 /nfs/dbraw/zinc/60/61/74/458606174.db2.gz QNIREOUPMLIVPL-AWEZNQCLSA-N 2 1 335.879 3.051 20 0 EGADMP C[C@H]1CC2(C[N@H+]1CCC(=O)Nc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000424295896 458607396 /nfs/dbraw/zinc/60/73/96/458607396.db2.gz ROLYEFNDULIMQO-AWEZNQCLSA-N 2 1 335.879 3.133 20 0 EGADMP C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@H]1CCCC[NH+]1C ZINC000493988818 458611951 /nfs/dbraw/zinc/61/19/51/458611951.db2.gz LLBTZIAZSWIFKX-IXDOHACOSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1CC[C@H]1CCCC[N@@H+]1C ZINC000493988818 458611952 /nfs/dbraw/zinc/61/19/52/458611952.db2.gz LLBTZIAZSWIFKX-IXDOHACOSA-N 2 1 339.524 3.096 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC000470135169 458614860 /nfs/dbraw/zinc/61/48/60/458614860.db2.gz SJABRZVQTYPKKX-AEFFLSMTSA-N 2 1 332.488 3.028 20 0 EGADMP COC(=O)[C@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC000470135169 458614865 /nfs/dbraw/zinc/61/48/65/458614865.db2.gz SJABRZVQTYPKKX-AEFFLSMTSA-N 2 1 332.488 3.028 20 0 EGADMP COC(=O)[C@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC000470135169 458614869 /nfs/dbraw/zinc/61/48/69/458614869.db2.gz SJABRZVQTYPKKX-AEFFLSMTSA-N 2 1 332.488 3.028 20 0 EGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CCN(c4cccc(C)[nH+]4)CC3)C[C@H]2C1 ZINC000424325611 458616218 /nfs/dbraw/zinc/61/62/18/458616218.db2.gz XTHHNSKZAHGMNI-AMBYYYRHSA-N 2 1 329.488 3.152 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000439009414 458642315 /nfs/dbraw/zinc/64/23/15/458642315.db2.gz WXLLSGJWVXGLEI-CQSZACIVSA-N 2 1 344.459 3.290 20 0 EGADMP CC[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000502999720 458687279 /nfs/dbraw/zinc/68/72/79/458687279.db2.gz XAHOSAIZHWIVHO-UNMCSNQZSA-N 2 1 338.495 3.407 20 0 EGADMP CC[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000502999720 458687285 /nfs/dbraw/zinc/68/72/85/458687285.db2.gz XAHOSAIZHWIVHO-UNMCSNQZSA-N 2 1 338.495 3.407 20 0 EGADMP Cc1ccc2[nH]c(C[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)cc2c1C ZINC000432369483 458726381 /nfs/dbraw/zinc/72/63/81/458726381.db2.gz VWWSYQMMVOEMFP-MRXNPFEDSA-N 2 1 329.488 3.375 20 0 EGADMP CCOc1ccc(C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)cc1F ZINC000494952885 458772028 /nfs/dbraw/zinc/77/20/28/458772028.db2.gz PIWOTDHBTOOCQQ-QGZVFWFLSA-N 2 1 338.467 3.157 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432797505 458788050 /nfs/dbraw/zinc/78/80/50/458788050.db2.gz FFSXEAINPQJHFE-FQEVSTJZSA-N 2 1 340.515 3.464 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432797505 458788052 /nfs/dbraw/zinc/78/80/52/458788052.db2.gz FFSXEAINPQJHFE-FQEVSTJZSA-N 2 1 340.515 3.464 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000473317896 458825534 /nfs/dbraw/zinc/82/55/34/458825534.db2.gz USGLMWAKGGPGNJ-PMACEKPBSA-N 2 1 345.531 3.324 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CCCC2(C)C)cc1 ZINC000457053952 458849653 /nfs/dbraw/zinc/84/96/53/458849653.db2.gz KODGIQGWXRMTRN-UHFFFAOYSA-N 2 1 331.504 3.133 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000495552585 458881447 /nfs/dbraw/zinc/88/14/47/458881447.db2.gz CEPORLURBGTXQU-IRXDYDNUSA-N 2 1 339.524 3.098 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000495552585 458881450 /nfs/dbraw/zinc/88/14/50/458881450.db2.gz CEPORLURBGTXQU-IRXDYDNUSA-N 2 1 339.524 3.098 20 0 EGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000474730411 458899069 /nfs/dbraw/zinc/89/90/69/458899069.db2.gz IAERFXWEJHJPDE-HKBOAZHASA-N 2 1 330.516 3.346 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2c(C)ccc(C)c2C)C[C@@H]1C ZINC000531382252 458909427 /nfs/dbraw/zinc/90/94/27/458909427.db2.gz KASXBOQQEXVHIL-IHPCNDPISA-N 2 1 348.531 3.156 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2c(C)ccc(C)c2C)C[C@@H]1C ZINC000531382252 458909433 /nfs/dbraw/zinc/90/94/33/458909433.db2.gz KASXBOQQEXVHIL-IHPCNDPISA-N 2 1 348.531 3.156 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2c(C)ccc(C)c2C)C[C@@H]1C ZINC000531382252 458909440 /nfs/dbraw/zinc/90/94/40/458909440.db2.gz KASXBOQQEXVHIL-IHPCNDPISA-N 2 1 348.531 3.156 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000495684459 458918150 /nfs/dbraw/zinc/91/81/50/458918150.db2.gz BHDOFLNSZBDHKW-CGZBRXJRSA-N 2 1 339.524 3.001 20 0 EGADMP CCC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475101134 458918956 /nfs/dbraw/zinc/91/89/56/458918956.db2.gz MFNGZVMXRXRQSS-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP Cc1ccc(-c2ccc(C[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)o2)cc1 ZINC000441368296 458928522 /nfs/dbraw/zinc/92/85/22/458928522.db2.gz SGGYVKLSXQQNNJ-UHFFFAOYSA-N 2 1 341.499 3.371 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000576935880 458949340 /nfs/dbraw/zinc/94/93/40/458949340.db2.gz GESHTMXQOAYKQV-MRXNPFEDSA-N 2 1 335.467 3.399 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH3+])CC2)c(Cl)c1 ZINC000566567295 458961907 /nfs/dbraw/zinc/96/19/07/458961907.db2.gz MRRCPDSCLFNHBA-CQSZACIVSA-N 2 1 337.895 3.345 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCCn3ccnc3)C2)s1 ZINC000577026197 458966114 /nfs/dbraw/zinc/96/61/14/458966114.db2.gz SDWJLHOBFOCWKV-KRWDZBQOSA-N 2 1 332.517 3.097 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCCn3ccnc3)C2)s1 ZINC000577026197 458966118 /nfs/dbraw/zinc/96/61/18/458966118.db2.gz SDWJLHOBFOCWKV-KRWDZBQOSA-N 2 1 332.517 3.097 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCCn3ccnc3)C2)s1 ZINC000577026197 458966125 /nfs/dbraw/zinc/96/61/25/458966125.db2.gz SDWJLHOBFOCWKV-KRWDZBQOSA-N 2 1 332.517 3.097 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c(OC[C@@H]2CCCO2)c1 ZINC000531735032 458969341 /nfs/dbraw/zinc/96/93/41/458969341.db2.gz WNGSGISNLWTWSS-LCLWPZTBSA-N 2 1 346.515 3.371 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(OC[C@@H]2CCCO2)c1 ZINC000531735032 458969351 /nfs/dbraw/zinc/96/93/51/458969351.db2.gz WNGSGISNLWTWSS-LCLWPZTBSA-N 2 1 346.515 3.371 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000495876062 458988861 /nfs/dbraw/zinc/98/88/61/458988861.db2.gz NBRYTCUKCHMVQU-RDJZCZTQSA-N 2 1 339.524 3.238 20 0 EGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000495879553 458990149 /nfs/dbraw/zinc/99/01/49/458990149.db2.gz VRGOZRKGZCWANY-WBVHZDCISA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442763206 459032749 /nfs/dbraw/zinc/03/27/49/459032749.db2.gz AVNPJMCEJVRLSH-BRWVUGGUSA-N 2 1 337.467 3.350 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442763206 459032755 /nfs/dbraw/zinc/03/27/55/459032755.db2.gz AVNPJMCEJVRLSH-BRWVUGGUSA-N 2 1 337.467 3.350 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000556915694 459033088 /nfs/dbraw/zinc/03/30/88/459033088.db2.gz SKQUOBUVFVEDJI-DYVFJYSZSA-N 2 1 326.431 3.442 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C(C2CC2)C2CC2)CC1 ZINC000532193209 459044548 /nfs/dbraw/zinc/04/45/48/459044548.db2.gz SPIRGLKEZLSLEZ-UHFFFAOYSA-N 2 1 327.516 3.102 20 0 EGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000442893307 459056731 /nfs/dbraw/zinc/05/67/31/459056731.db2.gz XTTZTDICSDYRTK-CVEARBPZSA-N 2 1 337.939 3.448 20 0 EGADMP Fc1ccc(COc2cccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC000577633711 459066650 /nfs/dbraw/zinc/06/66/50/459066650.db2.gz VBWWZYNTRIHYMX-RBUKOAKNSA-N 2 1 340.442 3.446 20 0 EGADMP Fc1ccc(COc2cccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC000577633711 459066658 /nfs/dbraw/zinc/06/66/58/459066658.db2.gz VBWWZYNTRIHYMX-RBUKOAKNSA-N 2 1 340.442 3.446 20 0 EGADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)C(C)(C)C ZINC000478185051 459081035 /nfs/dbraw/zinc/08/10/35/459081035.db2.gz XFSRFSXNASIDDS-SJLPKXTDSA-N 2 1 349.494 3.277 20 0 EGADMP CCC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccsc1 ZINC000443096352 459087860 /nfs/dbraw/zinc/08/78/60/459087860.db2.gz RRRJBTUFPPGVPZ-QGZVFWFLSA-N 2 1 337.533 3.122 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000520738421 459088369 /nfs/dbraw/zinc/08/83/69/459088369.db2.gz CBNCRVJKLKQBOF-UHFFFAOYSA-N 2 1 345.531 3.409 20 0 EGADMP CCC[NH+](C)CC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000520738421 459088376 /nfs/dbraw/zinc/08/83/76/459088376.db2.gz CBNCRVJKLKQBOF-UHFFFAOYSA-N 2 1 345.531 3.409 20 0 EGADMP CCC[NH+](C)CC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000520738421 459088381 /nfs/dbraw/zinc/08/83/81/459088381.db2.gz CBNCRVJKLKQBOF-UHFFFAOYSA-N 2 1 345.531 3.409 20 0 EGADMP C[N@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21)C1CC1 ZINC000577785622 459094396 /nfs/dbraw/zinc/09/43/96/459094396.db2.gz URXBWDSVBAQYSR-DOIPELPJSA-N 2 1 328.500 3.100 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21)C1CC1 ZINC000577785622 459094403 /nfs/dbraw/zinc/09/44/03/459094403.db2.gz URXBWDSVBAQYSR-DOIPELPJSA-N 2 1 328.500 3.100 20 0 EGADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21)C1CC1 ZINC000577785622 459094405 /nfs/dbraw/zinc/09/44/05/459094405.db2.gz URXBWDSVBAQYSR-DOIPELPJSA-N 2 1 328.500 3.100 20 0 EGADMP C[NH+](C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21)C1CC1 ZINC000577785622 459094411 /nfs/dbraw/zinc/09/44/11/459094411.db2.gz URXBWDSVBAQYSR-DOIPELPJSA-N 2 1 328.500 3.100 20 0 EGADMP CCC[NH2+][C@H](C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000521037314 459114226 /nfs/dbraw/zinc/11/42/26/459114226.db2.gz DJNNKDSNLQAQQN-IAGOWNOFSA-N 2 1 331.504 3.065 20 0 EGADMP CC1CC[NH+](CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000558477765 459163932 /nfs/dbraw/zinc/16/39/32/459163932.db2.gz IWRGCKYPIYLUJG-VXKWHMMOSA-N 2 1 341.543 3.172 20 0 EGADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000479794219 459167314 /nfs/dbraw/zinc/16/73/14/459167314.db2.gz SXZLXBBMLOVLEQ-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H](CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000480618987 459209803 /nfs/dbraw/zinc/20/98/03/459209803.db2.gz YRHBVHQWGLPGAJ-QRVBRYPASA-N 2 1 347.547 3.398 20 0 EGADMP C[C@H](CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000480618987 459209809 /nfs/dbraw/zinc/20/98/09/459209809.db2.gz YRHBVHQWGLPGAJ-QRVBRYPASA-N 2 1 347.547 3.398 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NCCC2=CCCCC2)CC1 ZINC000590787065 459218754 /nfs/dbraw/zinc/21/87/54/459218754.db2.gz RKAYWMYKBMQMSC-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000590786649 459219113 /nfs/dbraw/zinc/21/91/13/459219113.db2.gz LFIMNBQXAWQVGA-UHFFFAOYSA-N 2 1 337.895 3.331 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000590786649 459219117 /nfs/dbraw/zinc/21/91/17/459219117.db2.gz LFIMNBQXAWQVGA-UHFFFAOYSA-N 2 1 337.895 3.331 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)c2ccccc2)CC1 ZINC000590818908 459231838 /nfs/dbraw/zinc/23/18/38/459231838.db2.gz HKZFANTUFVDXOU-QGZVFWFLSA-N 2 1 331.504 3.090 20 0 EGADMP Cc1nn(C)cc1C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000533739187 459265991 /nfs/dbraw/zinc/26/59/91/459265991.db2.gz XPOZUOOLKDJUCK-APWZRJJASA-N 2 1 326.488 3.119 20 0 EGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OCc2cccnc2)cc1 ZINC000568363521 459275901 /nfs/dbraw/zinc/27/59/01/459275901.db2.gz YUKNWQMHKCDLQA-INIZCTEOSA-N 2 1 336.439 3.287 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000482147214 459292969 /nfs/dbraw/zinc/29/29/69/459292969.db2.gz WQUSWYVYUMMLNC-IMFGXOCKSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496714631 459297420 /nfs/dbraw/zinc/29/74/20/459297420.db2.gz BERPSBPHBTWKFZ-IRXDYDNUSA-N 2 1 339.524 3.238 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000496752571 459311887 /nfs/dbraw/zinc/31/18/87/459311887.db2.gz LGDCBZXBBURLDV-ZWKOTPCHSA-N 2 1 347.503 3.326 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000496752571 459311894 /nfs/dbraw/zinc/31/18/94/459311894.db2.gz LGDCBZXBBURLDV-ZWKOTPCHSA-N 2 1 347.503 3.326 20 0 EGADMP COC(=O)c1cc2cc(CN3CCC[C@]4(CC[N@@H+](C)C4)C3)ccc2o1 ZINC000595507927 459328527 /nfs/dbraw/zinc/32/85/27/459328527.db2.gz RKGQYGGSSZHFES-HXUWFJFHSA-N 2 1 342.439 3.137 20 0 EGADMP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)ccc2o1 ZINC000595507927 459328533 /nfs/dbraw/zinc/32/85/33/459328533.db2.gz RKGQYGGSSZHFES-HXUWFJFHSA-N 2 1 342.439 3.137 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)ccc2o1 ZINC000595507927 459328539 /nfs/dbraw/zinc/32/85/39/459328539.db2.gz RKGQYGGSSZHFES-HXUWFJFHSA-N 2 1 342.439 3.137 20 0 EGADMP COC(=O)c1cc2cc(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)ccc2o1 ZINC000595507927 459328543 /nfs/dbraw/zinc/32/85/43/459328543.db2.gz RKGQYGGSSZHFES-HXUWFJFHSA-N 2 1 342.439 3.137 20 0 EGADMP COC(=O)c1cc2cc(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)ccc2o1 ZINC000595507927 459328550 /nfs/dbraw/zinc/32/85/50/459328550.db2.gz RKGQYGGSSZHFES-HXUWFJFHSA-N 2 1 342.439 3.137 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000482944699 459331358 /nfs/dbraw/zinc/33/13/58/459331358.db2.gz HHESCWFJXWIJLA-WIYYLYMNSA-N 3 1 329.532 3.492 20 0 EGADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000482944699 459331361 /nfs/dbraw/zinc/33/13/61/459331361.db2.gz HHESCWFJXWIJLA-WIYYLYMNSA-N 2 1 329.532 3.492 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](C)C(C)(C)C3)CC2)CC1 ZINC000568762302 459341179 /nfs/dbraw/zinc/34/11/79/459341179.db2.gz ARCRKCXVNSXKJT-KRWDZBQOSA-N 2 1 349.563 3.077 20 0 EGADMP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483201255 459350096 /nfs/dbraw/zinc/35/00/96/459350096.db2.gz PULMMMSZIQIYGQ-IBGZPJMESA-N 2 1 349.563 3.413 20 0 EGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496936255 459376957 /nfs/dbraw/zinc/37/69/57/459376957.db2.gz DRQODOSDWMMCPL-DLBZAZTESA-N 2 1 333.476 3.003 20 0 EGADMP Fc1ccc(-c2noc([C@H]3CCC[N@@H+](CC[C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000582537136 459381972 /nfs/dbraw/zinc/38/19/72/459381972.db2.gz PGBWSAJVAIMLLZ-ZBFHGGJFSA-N 2 1 344.434 3.055 20 0 EGADMP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000560827085 459399809 /nfs/dbraw/zinc/39/98/09/459399809.db2.gz UTVAPYOFELOOQQ-QUCCMNQESA-N 2 1 345.531 3.402 20 0 EGADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)c1 ZINC000561137641 459423432 /nfs/dbraw/zinc/42/34/32/459423432.db2.gz MWHSUEHAVOLBID-QGZVFWFLSA-N 2 1 340.471 3.234 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000591718904 459425802 /nfs/dbraw/zinc/42/58/02/459425802.db2.gz QXEYSAYWOXIUBZ-UHFFFAOYSA-N 2 1 345.531 3.125 20 0 EGADMP Cc1ccncc1CCC[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000497152504 459462344 /nfs/dbraw/zinc/46/23/44/459462344.db2.gz QZNZEXZZNCKCSS-ROUUACIJSA-N 2 1 345.487 3.264 20 0 EGADMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)ccc1OC(F)F ZINC000583071857 459477340 /nfs/dbraw/zinc/47/73/40/459477340.db2.gz VYBFBMYCZKDJRK-TZMCWYRMSA-N 2 1 328.403 3.117 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000562039371 459506328 /nfs/dbraw/zinc/50/63/28/459506328.db2.gz GTJIKUCWWLDKAO-LJISPDSOSA-N 2 1 336.442 3.442 20 0 EGADMP C[C@H]([NH2+]CC(=O)NC1CCCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529358 459568128 /nfs/dbraw/zinc/56/81/28/459568128.db2.gz YZLYDOYLEPDDPP-IRXDYDNUSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@H]([NH2+]CC(=O)NC1CCCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529358 459568130 /nfs/dbraw/zinc/56/81/30/459568130.db2.gz YZLYDOYLEPDDPP-IRXDYDNUSA-N 2 1 335.536 3.068 20 0 EGADMP Cc1ccc([C@H]([NH2+]CCCCN2CC[NH+](C)CC2)C2CCCC2)o1 ZINC000542670257 459581021 /nfs/dbraw/zinc/58/10/21/459581021.db2.gz DRKBYHUYDOLNBT-HXUWFJFHSA-N 2 1 333.520 3.437 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000572992655 459608264 /nfs/dbraw/zinc/60/82/64/459608264.db2.gz XKQBNXHIOBISQE-MRXNPFEDSA-N 2 1 344.421 3.028 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000584048157 459641041 /nfs/dbraw/zinc/64/10/41/459641041.db2.gz FPYMYSISGYMBOP-HRAATJIYSA-N 2 1 337.467 3.174 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCc3ccc(F)c(Br)c3C2)CC[NH2+]1 ZINC000527617433 459671298 /nfs/dbraw/zinc/67/12/98/459671298.db2.gz KZUYDPAZDUTRQX-VXGBXAGGSA-N 2 1 341.268 3.334 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000563036065 459702112 /nfs/dbraw/zinc/70/21/12/459702112.db2.gz ALIQCGSOYNRQTA-AEFFLSMTSA-N 2 1 331.504 3.093 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000527692274 459702523 /nfs/dbraw/zinc/70/25/23/459702523.db2.gz RLQVFMMJPSTKEV-HXUWFJFHSA-N 2 1 335.451 3.024 20 0 EGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H](N)c3cscn3)c2C1 ZINC000573850546 459746196 /nfs/dbraw/zinc/74/61/96/459746196.db2.gz SMABFOITIMFWQD-KRWDZBQOSA-N 2 1 344.484 3.143 20 0 EGADMP CC(C)CCN1Cc2cccc(NC(=O)[C@@H](N)c3cscn3)c2C1 ZINC000573850546 459746201 /nfs/dbraw/zinc/74/62/01/459746201.db2.gz SMABFOITIMFWQD-KRWDZBQOSA-N 2 1 344.484 3.143 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC34CC(C3)CO4)[C@H]3CCC[C@@H]32)cc1 ZINC000527978737 459787105 /nfs/dbraw/zinc/78/71/05/459787105.db2.gz GITLLTGFOBLZMP-XUPOMNEHSA-N 2 1 326.484 3.198 20 0 EGADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000584782877 459801382 /nfs/dbraw/zinc/80/13/82/459801382.db2.gz VBSZHOSRZKGJLW-BHDDXSALSA-N 2 1 335.495 3.146 20 0 EGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000566222336 459826104 /nfs/dbraw/zinc/82/61/04/459826104.db2.gz VEHXJNNGJROZOV-BPQIPLTHSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCc2cncn2C)CC1 ZINC000566414848 459862234 /nfs/dbraw/zinc/86/22/34/459862234.db2.gz SGWNEUMBHQZGJR-SFHVURJKSA-N 2 1 332.536 3.329 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000566414848 459862240 /nfs/dbraw/zinc/86/22/40/459862240.db2.gz SGWNEUMBHQZGJR-SFHVURJKSA-N 3 1 332.536 3.329 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000566414848 459862249 /nfs/dbraw/zinc/86/22/49/459862249.db2.gz SGWNEUMBHQZGJR-SFHVURJKSA-N 3 1 332.536 3.329 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000588686616 459968508 /nfs/dbraw/zinc/96/85/08/459968508.db2.gz HRAWRAPHPPDQLQ-MJGOQNOKSA-N 2 1 330.497 3.282 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000588686616 459968513 /nfs/dbraw/zinc/96/85/13/459968513.db2.gz HRAWRAPHPPDQLQ-MJGOQNOKSA-N 2 1 330.497 3.282 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000575932164 460035330 /nfs/dbraw/zinc/03/53/30/460035330.db2.gz CTOMNOVFBLBXRC-MOPGFXCFSA-N 2 1 327.472 3.326 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000589205739 460054925 /nfs/dbraw/zinc/05/49/25/460054925.db2.gz HUZNPUGJMJLCQH-MAUKXSAKSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000589205739 460054928 /nfs/dbraw/zinc/05/49/28/460054928.db2.gz HUZNPUGJMJLCQH-MAUKXSAKSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000589205739 460054929 /nfs/dbraw/zinc/05/49/29/460054929.db2.gz HUZNPUGJMJLCQH-MAUKXSAKSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000589205739 460054932 /nfs/dbraw/zinc/05/49/32/460054932.db2.gz HUZNPUGJMJLCQH-MAUKXSAKSA-N 2 1 332.488 3.414 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000576238299 460098807 /nfs/dbraw/zinc/09/88/07/460098807.db2.gz ZHVUKEGGHOMPFF-UHFFFAOYSA-N 2 1 327.350 3.383 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000576238299 460098812 /nfs/dbraw/zinc/09/88/12/460098812.db2.gz ZHVUKEGGHOMPFF-UHFFFAOYSA-N 2 1 327.350 3.383 20 0 EGADMP Cc1ccc(-c2noc([C@@H](C)[NH2+]CCCc3c[nH+]cn3C)n2)cc1F ZINC000576645133 460184844 /nfs/dbraw/zinc/18/48/44/460184844.db2.gz UJIQIUDLUZWXII-CYBMUJFWSA-N 2 1 343.406 3.201 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC000599310321 460225490 /nfs/dbraw/zinc/22/54/90/460225490.db2.gz QANKFSGZNZOGBX-FXAWDEMLSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC000599310321 460225497 /nfs/dbraw/zinc/22/54/97/460225497.db2.gz QANKFSGZNZOGBX-FXAWDEMLSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC000599310321 460225500 /nfs/dbraw/zinc/22/55/00/460225500.db2.gz QANKFSGZNZOGBX-FXAWDEMLSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC000599313943 460226130 /nfs/dbraw/zinc/22/61/30/460226130.db2.gz AUABLJSIGCFLSQ-LPHOPBHVSA-N 2 1 329.488 3.484 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC000599313943 460226134 /nfs/dbraw/zinc/22/61/34/460226134.db2.gz AUABLJSIGCFLSQ-LPHOPBHVSA-N 2 1 329.488 3.484 20 0 EGADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000599313943 460226136 /nfs/dbraw/zinc/22/61/36/460226136.db2.gz AUABLJSIGCFLSQ-LPHOPBHVSA-N 2 1 329.488 3.484 20 0 EGADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC000599313943 460226141 /nfs/dbraw/zinc/22/61/41/460226141.db2.gz AUABLJSIGCFLSQ-LPHOPBHVSA-N 2 1 329.488 3.484 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000599311618 460226412 /nfs/dbraw/zinc/22/64/12/460226412.db2.gz ZFLRWTMUBGWTCF-PXNSSMCTSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000599311618 460226419 /nfs/dbraw/zinc/22/64/19/460226419.db2.gz ZFLRWTMUBGWTCF-PXNSSMCTSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000599311618 460226425 /nfs/dbraw/zinc/22/64/25/460226425.db2.gz ZFLRWTMUBGWTCF-PXNSSMCTSA-N 2 1 343.515 3.019 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599592485 460283697 /nfs/dbraw/zinc/28/36/97/460283697.db2.gz ZQNMSRBTZDQLLN-NVXWUHKLSA-N 2 1 335.492 3.271 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599592485 460283700 /nfs/dbraw/zinc/28/37/00/460283700.db2.gz ZQNMSRBTZDQLLN-NVXWUHKLSA-N 2 1 335.492 3.271 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)NC1CCCC1 ZINC000626062574 460357835 /nfs/dbraw/zinc/35/78/35/460357835.db2.gz XZAFFFDEUIZIBM-MRXNPFEDSA-N 2 1 331.504 3.017 20 0 EGADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626101396 460370884 /nfs/dbraw/zinc/37/08/84/460370884.db2.gz RKOFHWDHPHGHAC-HOTGVXAUSA-N 2 1 331.287 3.491 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626101396 460370888 /nfs/dbraw/zinc/37/08/88/460370888.db2.gz RKOFHWDHPHGHAC-HOTGVXAUSA-N 2 1 331.287 3.491 20 0 EGADMP CCC(O)(CC)C[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000628479895 460433260 /nfs/dbraw/zinc/43/32/60/460433260.db2.gz MHMZTJCNGYURNE-UHFFFAOYSA-N 2 1 347.547 3.200 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634685821 460475647 /nfs/dbraw/zinc/47/56/47/460475647.db2.gz WKFPAKLPGQDXMH-VAMGGRTRSA-N 2 1 346.515 3.071 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634685821 460475657 /nfs/dbraw/zinc/47/56/57/460475657.db2.gz WKFPAKLPGQDXMH-VAMGGRTRSA-N 2 1 346.515 3.071 20 0 EGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000631654809 460491819 /nfs/dbraw/zinc/49/18/19/460491819.db2.gz IMMNANQXJYACEA-AADNMHCOSA-N 2 1 326.843 3.381 20 0 EGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000631654809 460491826 /nfs/dbraw/zinc/49/18/26/460491826.db2.gz IMMNANQXJYACEA-AADNMHCOSA-N 2 1 326.843 3.381 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(Cl)c1OC ZINC000634732712 460498570 /nfs/dbraw/zinc/49/85/70/460498570.db2.gz MRDZKFGQVHGPJA-CYBMUJFWSA-N 2 1 326.868 3.225 20 0 EGADMP CCC[NH+]1CCC(NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631668119 460501536 /nfs/dbraw/zinc/50/15/36/460501536.db2.gz VSNBRNMXHKLFOE-QUCCMNQESA-N 2 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631668119 460501541 /nfs/dbraw/zinc/50/15/41/460501541.db2.gz VSNBRNMXHKLFOE-QUCCMNQESA-N 3 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631668119 460501547 /nfs/dbraw/zinc/50/15/47/460501547.db2.gz VSNBRNMXHKLFOE-QUCCMNQESA-N 3 1 329.532 3.219 20 0 EGADMP C[N@H+]1CCCC[C@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000628742026 460520529 /nfs/dbraw/zinc/52/05/29/460520529.db2.gz AGGAFVPXIPWHFI-LJQANCHMSA-N 2 1 343.515 3.134 20 0 EGADMP Brc1ccc2[nH+]ccc(NC[C@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000623872282 460755404 /nfs/dbraw/zinc/75/54/04/460755404.db2.gz WLISQQTWLSPSFT-GFCCVEGCSA-N 2 1 346.272 3.315 20 0 EGADMP Brc1ccc2[nH+]ccc(NC[C@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000623872282 460755406 /nfs/dbraw/zinc/75/54/06/460755406.db2.gz WLISQQTWLSPSFT-GFCCVEGCSA-N 2 1 346.272 3.315 20 0 EGADMP O=C([C@@H]1CC[N@H+]1C1CCCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000635495040 460810966 /nfs/dbraw/zinc/81/09/66/460810966.db2.gz MGHHNFJSOKLQMJ-ICSRJNTNSA-N 2 1 347.547 3.118 20 0 EGADMP C[C@@H](CC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)CC(C)(C)C ZINC000601477406 460818472 /nfs/dbraw/zinc/81/84/72/460818472.db2.gz SAMVNFGJWBDWJA-WMZOPIPTSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H](CC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)CC(C)(C)C ZINC000601477406 460818481 /nfs/dbraw/zinc/81/84/81/460818481.db2.gz SAMVNFGJWBDWJA-WMZOPIPTSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000635638131 460866713 /nfs/dbraw/zinc/86/67/13/460866713.db2.gz KWGWDEZSCRDSCH-QGZVFWFLSA-N 2 1 342.487 3.033 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000635638131 460866720 /nfs/dbraw/zinc/86/67/20/460866720.db2.gz KWGWDEZSCRDSCH-QGZVFWFLSA-N 2 1 342.487 3.033 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)c1 ZINC000624120193 460868372 /nfs/dbraw/zinc/86/83/72/460868372.db2.gz UGDKPXPLLCQXHA-ZWKOTPCHSA-N 2 1 331.504 3.342 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)CC3 ZINC000624121837 460870475 /nfs/dbraw/zinc/87/04/75/460870475.db2.gz DPIPUGPHHNRIHP-HZPDHXFCSA-N 2 1 341.499 3.355 20 0 EGADMP C[N@@H+](CC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)CC(C)(C)C ZINC000635654458 460872530 /nfs/dbraw/zinc/87/25/30/460872530.db2.gz WEONRSIRLMXRMV-UHFFFAOYSA-N 2 1 345.531 3.087 20 0 EGADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000632893298 460872616 /nfs/dbraw/zinc/87/26/16/460872616.db2.gz SQAZMEHTILTWLF-WBVHZDCISA-N 2 1 344.503 3.405 20 0 EGADMP Fc1cc(Cl)ccc1N1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000624226066 460919768 /nfs/dbraw/zinc/91/97/68/460919768.db2.gz JGXZMFQWJQURBN-HNNXBMFYSA-N 2 1 337.870 3.274 20 0 EGADMP CC[NH+](CC)Cc1ccc(NC(=O)Cn2cc[nH+]c2C(C)C)cc1 ZINC000635847874 460947902 /nfs/dbraw/zinc/94/79/02/460947902.db2.gz LCKOADKRBMPXPI-UHFFFAOYSA-N 2 1 328.460 3.487 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[NH+](C)C3CCC3)cc2)C1 ZINC000629948439 460968642 /nfs/dbraw/zinc/96/86/42/460968642.db2.gz HIVICTKTEFRECF-MRXNPFEDSA-N 2 1 329.488 3.341 20 0 EGADMP C[C@H](O)C[N@H+](C)C1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628165556 461029154 /nfs/dbraw/zinc/02/91/54/461029154.db2.gz CLRHDXXFSOHOSA-AWEZNQCLSA-N 2 1 344.421 3.025 20 0 EGADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628165556 461029162 /nfs/dbraw/zinc/02/91/62/461029162.db2.gz CLRHDXXFSOHOSA-AWEZNQCLSA-N 2 1 344.421 3.025 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cnc(C4CC4)o3)CC2)oc1C ZINC000628211982 461050950 /nfs/dbraw/zinc/05/09/50/461050950.db2.gz UEOBDHACGQRCBL-UHFFFAOYSA-N 2 1 344.459 3.159 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C12CCCC2 ZINC000646229210 461137417 /nfs/dbraw/zinc/13/74/17/461137417.db2.gz QGOZZOXEHMSHKU-FQEVSTJZSA-N 2 1 344.499 3.041 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c2ccccc2n1 ZINC000652349586 461144548 /nfs/dbraw/zinc/14/45/48/461144548.db2.gz UNUJPRBJOCETFV-MDKPJZGXSA-N 2 1 339.483 3.262 20 0 EGADMP COc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652350121 461145657 /nfs/dbraw/zinc/14/56/57/461145657.db2.gz HBDPLKWDKCBXIL-FDQGKXFDSA-N 2 1 338.879 3.067 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351454 461147880 /nfs/dbraw/zinc/14/78/80/461147880.db2.gz XNHWKVRXAPTOCG-FTRWYGJKSA-N 2 1 329.488 3.198 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351454 461147891 /nfs/dbraw/zinc/14/78/91/461147891.db2.gz XNHWKVRXAPTOCG-FTRWYGJKSA-N 2 1 329.488 3.198 20 0 EGADMP C[NH+](CCCCC[N@H+](C)CC1=CCSC1)CC1=CCSC1 ZINC000662268101 461153186 /nfs/dbraw/zinc/15/31/86/461153186.db2.gz PCTJCUUTNHFVJX-UHFFFAOYSA-N 2 1 326.575 3.367 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(-c3cccs3)on2)C1 ZINC000652361716 461154253 /nfs/dbraw/zinc/15/42/53/461154253.db2.gz NCZZHABUBZZORO-VNQPRFMTSA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(-c3cccs3)on2)C1 ZINC000652361716 461154255 /nfs/dbraw/zinc/15/42/55/461154255.db2.gz NCZZHABUBZZORO-VNQPRFMTSA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2csc(-c3ccoc3)n2)C1 ZINC000652362749 461155674 /nfs/dbraw/zinc/15/56/74/461155674.db2.gz OCSJUWRBTFXXAB-HYVNUMGLSA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2csc(-c3ccoc3)n2)C1 ZINC000652362749 461155683 /nfs/dbraw/zinc/15/56/83/461155683.db2.gz OCSJUWRBTFXXAB-HYVNUMGLSA-N 2 1 347.484 3.264 20 0 EGADMP COc1ccc(Cl)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652363444 461158116 /nfs/dbraw/zinc/15/81/16/461158116.db2.gz DZGDMRKWAYZWIW-QGTPRVQTSA-N 2 1 338.879 3.209 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1 ZINC000646270709 461163798 /nfs/dbraw/zinc/16/37/98/461163798.db2.gz RQRXESUVYUMWFU-HXUWFJFHSA-N 2 1 344.499 3.018 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1Cl ZINC000662286615 461166080 /nfs/dbraw/zinc/16/60/80/461166080.db2.gz SAAIDTIJBVLTBK-LXZKKBNFSA-N 2 1 338.879 3.067 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290182 461167049 /nfs/dbraw/zinc/16/70/49/461167049.db2.gz MBRNRGDDDHXSNF-SFHVURJKSA-N 2 1 343.515 3.460 20 0 EGADMP CC[NH+](CC)Cc1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000641179921 461167831 /nfs/dbraw/zinc/16/78/31/461167831.db2.gz WTJDWPQACQKLIN-UHFFFAOYSA-N 2 1 341.503 3.154 20 0 EGADMP CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294747 461172254 /nfs/dbraw/zinc/17/22/54/461172254.db2.gz MHUAEAPWQUEUDB-IBGZPJMESA-N 2 1 343.515 3.208 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2nc(CCc3ccccc3)no2)[C@@H]1CCC[NH3+] ZINC000662313307 461185711 /nfs/dbraw/zinc/18/57/11/461185711.db2.gz KFQBIZQJCKJYIW-SJLPKXTDSA-N 2 1 342.487 3.194 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)[C@@H]1CCC[NH3+] ZINC000662313231 461186395 /nfs/dbraw/zinc/18/63/95/461186395.db2.gz HIYBCKJRVXIHMK-YLJYHZDGSA-N 2 1 343.515 3.017 20 0 EGADMP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](c3nccn3C)C3CC3)C2)[nH+]1 ZINC000638008339 461194018 /nfs/dbraw/zinc/19/40/18/461194018.db2.gz YYIKUGLOJVPXAG-QAPCUYQASA-N 2 1 325.460 3.009 20 0 EGADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(C[NH+]2CCCC2)c1 ZINC000655352892 461202453 /nfs/dbraw/zinc/20/24/53/461202453.db2.gz QGSKMRHIWYNQHI-PMACEKPBSA-N 2 1 341.499 3.029 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CC[C@@H](C[NH+]3CCCC3)C1)CC2 ZINC000638112793 461247791 /nfs/dbraw/zinc/24/77/91/461247791.db2.gz NMIRCHUBWLSIRA-YJBOKZPZSA-N 2 1 330.472 3.109 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@H+]1CC[C@@H](C[NH+]3CCCC3)C1)CC2 ZINC000638112793 461247799 /nfs/dbraw/zinc/24/77/99/461247799.db2.gz NMIRCHUBWLSIRA-YJBOKZPZSA-N 2 1 330.472 3.109 20 0 EGADMP CC(C)O[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@@H](OC(C)C)C2)C1 ZINC000649702461 461287127 /nfs/dbraw/zinc/28/71/27/461287127.db2.gz DXTDHGJYTRJYJE-RTBURBONSA-N 2 1 326.525 3.155 20 0 EGADMP c1ccc2c(c1)CCC[C@@H]2C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655695618 461367778 /nfs/dbraw/zinc/36/77/78/461367778.db2.gz OJQCAYMWJPCBHE-UYAOXDASSA-N 2 1 328.500 3.340 20 0 EGADMP c1ccc2c(c1)CCC[C@H]2C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655695616 461367871 /nfs/dbraw/zinc/36/78/71/461367871.db2.gz OJQCAYMWJPCBHE-ICSRJNTNSA-N 2 1 328.500 3.340 20 0 EGADMP CC(C)c1nc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cs1 ZINC000655705031 461375529 /nfs/dbraw/zinc/37/55/29/461375529.db2.gz ULRHBTQTKWAHMW-KRWDZBQOSA-N 2 1 337.533 3.042 20 0 EGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3Cl)nc2C)C1 ZINC000655710949 461380594 /nfs/dbraw/zinc/38/05/94/461380594.db2.gz DRGXVDPANWFGMM-OAHLLOKOSA-N 2 1 332.879 3.266 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3Cl)nc2C)C1 ZINC000655710949 461380602 /nfs/dbraw/zinc/38/06/02/461380602.db2.gz DRGXVDPANWFGMM-OAHLLOKOSA-N 2 1 332.879 3.266 20 0 EGADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C[C@@H]1[NH3+] ZINC000641807495 461383308 /nfs/dbraw/zinc/38/33/08/461383308.db2.gz VACVKXRJGMGEGZ-NWDGAFQWSA-N 2 1 349.784 3.013 20 0 EGADMP Cc1cccnc1[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC000655716856 461384258 /nfs/dbraw/zinc/38/42/58/461384258.db2.gz ZAZJHWGXMTXOOF-MOPGFXCFSA-N 2 1 331.504 3.320 20 0 EGADMP COc1ccc([C@H](C)CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655716257 461384509 /nfs/dbraw/zinc/38/45/09/461384509.db2.gz VFRQPNXQBQCBRL-DYESRHJHSA-N 2 1 346.515 3.422 20 0 EGADMP C(CC12CC3CC(CC(C3)C1)C2)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655724092 461393454 /nfs/dbraw/zinc/39/34/54/461393454.db2.gz SBGDXBPOHYZOEX-WYGOJCFESA-N 2 1 332.532 3.436 20 0 EGADMP CC[C@H](C)NC(=O)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638383389 461400489 /nfs/dbraw/zinc/40/04/89/461400489.db2.gz FQRVSFZIVBTEJR-QRFRQXIXSA-N 2 1 343.515 3.249 20 0 EGADMP CC[C@H](C)NC(=O)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638383389 461400494 /nfs/dbraw/zinc/40/04/94/461400494.db2.gz FQRVSFZIVBTEJR-QRFRQXIXSA-N 2 1 343.515 3.249 20 0 EGADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000655733889 461401744 /nfs/dbraw/zinc/40/17/44/461401744.db2.gz USYHHBSDUKHWOU-OAHLLOKOSA-N 2 1 332.879 3.266 20 0 EGADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000655733889 461401753 /nfs/dbraw/zinc/40/17/53/461401753.db2.gz USYHHBSDUKHWOU-OAHLLOKOSA-N 2 1 332.879 3.266 20 0 EGADMP Clc1ccccc1C1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655736065 461403241 /nfs/dbraw/zinc/40/32/41/461403241.db2.gz CUBRJGKTIGJVFB-MRXNPFEDSA-N 2 1 334.891 3.215 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCO2)cc1 ZINC000655754821 461420053 /nfs/dbraw/zinc/42/00/53/461420053.db2.gz IGJAIVMPAYHBFL-HBMCJLEFSA-N 2 1 344.499 3.140 20 0 EGADMP C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000655762094 461429787 /nfs/dbraw/zinc/42/97/87/461429787.db2.gz AKUBGAALYDNCLK-RTWAWAEBSA-N 2 1 349.563 3.017 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3cccc(Cl)c3C2)CCCO1 ZINC000666132758 461466443 /nfs/dbraw/zinc/46/64/43/461466443.db2.gz IOASEJQTOSHXKP-WBVHZDCISA-N 2 1 336.907 3.288 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3cccc(Cl)c3C2)CCCO1 ZINC000666132758 461466449 /nfs/dbraw/zinc/46/64/49/461466449.db2.gz IOASEJQTOSHXKP-WBVHZDCISA-N 2 1 336.907 3.288 20 0 EGADMP Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c(F)c1 ZINC000631084651 461534698 /nfs/dbraw/zinc/53/46/98/461534698.db2.gz WIZWYULXSXOATA-UHFFFAOYSA-N 2 1 342.458 3.381 20 0 EGADMP C[NH+]1CCN([C@@H](C[NH2+]C2CCC(F)(F)CC2)c2cccs2)CC1 ZINC000647166487 461535732 /nfs/dbraw/zinc/53/57/32/461535732.db2.gz QHQFGFCPBGKEOY-HNNXBMFYSA-N 2 1 343.487 3.204 20 0 EGADMP Clc1ccccc1Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000642630933 461540925 /nfs/dbraw/zinc/54/09/25/461540925.db2.gz ROMRACSIWXDCIH-ZWKOTPCHSA-N 2 1 344.890 3.301 20 0 EGADMP Clc1ccccc1Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000642630933 461540938 /nfs/dbraw/zinc/54/09/38/461540938.db2.gz ROMRACSIWXDCIH-ZWKOTPCHSA-N 2 1 344.890 3.301 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@@](C)([NH3+])c1ccccc1)C1CCCCC1 ZINC000653201089 461556186 /nfs/dbraw/zinc/55/61/86/461556186.db2.gz ZSTZHZUWBUHESP-FQEVSTJZSA-N 2 1 331.504 3.021 20 0 EGADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(-c2cccs2)n1 ZINC000663345914 461574990 /nfs/dbraw/zinc/57/49/90/461574990.db2.gz OSAKIWLQMNSAGX-MRXNPFEDSA-N 2 1 344.528 3.360 20 0 EGADMP c1csc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347435 461576457 /nfs/dbraw/zinc/57/64/57/461576457.db2.gz KLTXYNFAXIORJK-HNNXBMFYSA-N 2 1 330.501 3.350 20 0 EGADMP c1ccc(-c2ncc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cn2)cc1 ZINC000663347655 461579483 /nfs/dbraw/zinc/57/94/83/461579483.db2.gz RJISXHXXPITAQZ-SFHVURJKSA-N 2 1 336.483 3.355 20 0 EGADMP c1ccc(-c2ncc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cn2)cc1 ZINC000663347655 461579489 /nfs/dbraw/zinc/57/94/89/461579489.db2.gz RJISXHXXPITAQZ-SFHVURJKSA-N 2 1 336.483 3.355 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3csc(C)c3)CC2)CC1 ZINC000634424511 461600556 /nfs/dbraw/zinc/60/05/56/461600556.db2.gz ZZECJJWGLDDDGZ-UHFFFAOYSA-N 2 1 335.517 3.191 20 0 EGADMP CC(C)n1nccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631195667 461633650 /nfs/dbraw/zinc/63/36/50/461633650.db2.gz IVVBQXCWIYBDME-MJGOQNOKSA-N 2 1 326.488 3.322 20 0 EGADMP CC(C)n1nccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631195667 461633657 /nfs/dbraw/zinc/63/36/57/461633657.db2.gz IVVBQXCWIYBDME-MJGOQNOKSA-N 2 1 326.488 3.322 20 0 EGADMP Cn1c2ccc(NC3CC[NH+](CC(C)(C)O)CC3)cc2[nH+]c1C1CC1 ZINC000638904721 461644707 /nfs/dbraw/zinc/64/47/07/461644707.db2.gz YWCLWGNIDLBWKG-UHFFFAOYSA-N 2 1 342.487 3.098 20 0 EGADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)C2 ZINC000663464647 461653551 /nfs/dbraw/zinc/65/35/51/461653551.db2.gz FOAIDVYTNSVGBB-PKOBYXMFSA-N 2 1 328.500 3.264 20 0 EGADMP OCC[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000643296931 461672363 /nfs/dbraw/zinc/67/23/63/461672363.db2.gz HEHWPKNGUJMBFQ-LJQANCHMSA-N 2 1 346.515 3.146 20 0 EGADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C(F)F)n1 ZINC000643327830 461687111 /nfs/dbraw/zinc/68/71/11/461687111.db2.gz JLDXLQXJQYJKPM-MRXNPFEDSA-N 2 1 348.441 3.360 20 0 EGADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C(F)F)n1 ZINC000643327830 461687118 /nfs/dbraw/zinc/68/71/18/461687118.db2.gz JLDXLQXJQYJKPM-MRXNPFEDSA-N 2 1 348.441 3.360 20 0 EGADMP FC(F)(F)OCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639094424 461723345 /nfs/dbraw/zinc/72/33/45/461723345.db2.gz QWIZCGOBCMKEBT-GOEBONIOSA-N 2 1 328.378 3.481 20 0 EGADMP FC(F)(F)OCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639094424 461723352 /nfs/dbraw/zinc/72/33/52/461723352.db2.gz QWIZCGOBCMKEBT-GOEBONIOSA-N 2 1 328.378 3.481 20 0 EGADMP c1ccc2c(c1)onc2CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000653587111 461742346 /nfs/dbraw/zinc/74/23/46/461742346.db2.gz PPMWFIGDUMEGLF-KXBFYZLASA-N 2 1 325.456 3.319 20 0 EGADMP c1ccc2c(c1)onc2CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000653587111 461742355 /nfs/dbraw/zinc/74/23/55/461742355.db2.gz PPMWFIGDUMEGLF-KXBFYZLASA-N 2 1 325.456 3.319 20 0 EGADMP c1ccc2c(c1)onc2CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000653587111 461742362 /nfs/dbraw/zinc/74/23/62/461742362.db2.gz PPMWFIGDUMEGLF-KXBFYZLASA-N 2 1 325.456 3.319 20 0 EGADMP CC(C)c1ncc(C[N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000669620855 461743995 /nfs/dbraw/zinc/74/39/95/461743995.db2.gz IHIOZMVFEGMBPS-UHFFFAOYSA-N 2 1 342.487 3.172 20 0 EGADMP CC(C)c1ncc(C[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000669620855 461744008 /nfs/dbraw/zinc/74/40/08/461744008.db2.gz IHIOZMVFEGMBPS-UHFFFAOYSA-N 2 1 342.487 3.172 20 0 EGADMP OC[C@H](CC1CCC1)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639123574 461744403 /nfs/dbraw/zinc/74/44/03/461744403.db2.gz NENQTUMNWQAYKI-DYXWJJEUSA-N 2 1 328.500 3.495 20 0 EGADMP OC[C@H](CC1CCC1)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639123574 461744412 /nfs/dbraw/zinc/74/44/12/461744412.db2.gz NENQTUMNWQAYKI-DYXWJJEUSA-N 2 1 328.500 3.495 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647530949 461750532 /nfs/dbraw/zinc/75/05/32/461750532.db2.gz QUDNGGKSNGIFTK-UHFFFAOYSA-N 2 1 326.488 3.483 20 0 EGADMP c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543365 461757573 /nfs/dbraw/zinc/75/75/73/461757573.db2.gz LWIOYUUOJZUVKD-LEWJYISDSA-N 2 1 338.499 3.143 20 0 EGADMP Clc1ccc2ncc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543663 461758819 /nfs/dbraw/zinc/75/88/19/461758819.db2.gz QYDICFSGNWZTKV-HUUCEWRRSA-N 2 1 332.879 3.199 20 0 EGADMP c1cc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543683 461759677 /nfs/dbraw/zinc/75/96/77/461759677.db2.gz RCSMOGAHYKIAFH-HUUCEWRRSA-N 2 1 330.501 3.350 20 0 EGADMP c1ccc(-c2ncc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC000647543607 461759878 /nfs/dbraw/zinc/75/98/78/461759878.db2.gz QEIISEANHJVYRY-VQTJNVASSA-N 2 1 336.483 3.355 20 0 EGADMP Cc1cccc2nc(CC[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)cn21 ZINC000647553491 461763875 /nfs/dbraw/zinc/76/38/75/461763875.db2.gz BGJAJWBSULHZCE-AZUAARDMSA-N 2 1 334.467 3.268 20 0 EGADMP COc1cc(Cl)c(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1OC ZINC000639179715 461784995 /nfs/dbraw/zinc/78/49/95/461784995.db2.gz UPSFPMCDNPLIGJ-CJNGLKHVSA-N 2 1 338.879 3.273 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccccc3OCCCCO)C2)CC1 ZINC000639178179 461785392 /nfs/dbraw/zinc/78/53/92/461785392.db2.gz ZVZUXZOUDNIYMX-LJQANCHMSA-N 2 1 346.515 3.002 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CC[C@@]3(C1)CCC[NH+](C)C3)CC2 ZINC000639208615 461804632 /nfs/dbraw/zinc/80/46/32/461804632.db2.gz ZFCGWLYEZRBGFO-PXNSSMCTSA-N 2 1 330.472 3.109 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@H+]1CC[C@@]3(C1)CCC[NH+](C)C3)CC2 ZINC000639208615 461804636 /nfs/dbraw/zinc/80/46/36/461804636.db2.gz ZFCGWLYEZRBGFO-PXNSSMCTSA-N 2 1 330.472 3.109 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH+]1CC[C@@]3(C1)CCC[N@H+](C)C3)CC2 ZINC000639208615 461804643 /nfs/dbraw/zinc/80/46/43/461804643.db2.gz ZFCGWLYEZRBGFO-PXNSSMCTSA-N 2 1 330.472 3.109 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH+]1CC[C@@]3(C1)CCC[N@@H+](C)C3)CC2 ZINC000639208615 461804647 /nfs/dbraw/zinc/80/46/47/461804647.db2.gz ZFCGWLYEZRBGFO-PXNSSMCTSA-N 2 1 330.472 3.109 20 0 EGADMP FC(F)Oc1c(Br)cccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856467 461839227 /nfs/dbraw/zinc/83/92/27/461839227.db2.gz KFQRAEQKXNDOGS-LLVKDONJSA-N 2 1 349.219 3.282 20 0 EGADMP CC[C@@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000647934427 461892604 /nfs/dbraw/zinc/89/26/04/461892604.db2.gz FCVCDTUJQGYKLV-QUCCMNQESA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000647934427 461892610 /nfs/dbraw/zinc/89/26/10/461892610.db2.gz FCVCDTUJQGYKLV-QUCCMNQESA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000647934426 461892962 /nfs/dbraw/zinc/89/29/62/461892962.db2.gz FCVCDTUJQGYKLV-ICSRJNTNSA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000647934426 461892970 /nfs/dbraw/zinc/89/29/70/461892970.db2.gz FCVCDTUJQGYKLV-ICSRJNTNSA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@H]1C[N@@H+](CCCc2nc(-c3ccc(C)c(F)c3)no2)CC[C@H]1[NH3+] ZINC000647937858 461894792 /nfs/dbraw/zinc/89/47/92/461894792.db2.gz DDTOQSNYTFDDHG-WMLDXEAASA-N 2 1 346.450 3.176 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000647938870 461896685 /nfs/dbraw/zinc/89/66/85/461896685.db2.gz WINZAFPRCHJZBM-FXAWDEMLSA-N 2 1 337.467 3.498 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000650705570 461897887 /nfs/dbraw/zinc/89/78/87/461897887.db2.gz LRBMXUUVIUGWDO-OIISXLGYSA-N 2 1 342.405 3.424 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000650705571 461897930 /nfs/dbraw/zinc/89/79/30/461897930.db2.gz LRBMXUUVIUGWDO-UAGQMJEPSA-N 2 1 342.405 3.424 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)C1 ZINC000650706915 461899720 /nfs/dbraw/zinc/89/97/20/461899720.db2.gz VNKQAWMJSSAPSA-SCTDSRPQSA-N 2 1 341.455 3.060 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3F)C2)C1 ZINC000650706541 461900288 /nfs/dbraw/zinc/90/02/88/461900288.db2.gz NDHBBRMYKNFGKR-JGGQBBKZSA-N 2 1 326.843 3.197 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3sc(Br)cc3C2)CC[NH2+]1 ZINC000656791031 461901176 /nfs/dbraw/zinc/90/11/76/461901176.db2.gz CZJRHFZDXOSIFD-MNOVXSKESA-N 2 1 329.307 3.257 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000650707633 461901287 /nfs/dbraw/zinc/90/12/87/461901287.db2.gz JZQOMZQNYANUPK-IAOVAPTHSA-N 2 1 326.843 3.197 20 0 EGADMP CC(C)(C)c1cnc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650708189 461901935 /nfs/dbraw/zinc/90/19/35/461901935.db2.gz VBBHOGWDDTWZGT-KKUMJFAQSA-N 2 1 337.533 3.159 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000650711739 461905401 /nfs/dbraw/zinc/90/54/01/461905401.db2.gz BWOPQQBNARMBRD-IFXJQAMLSA-N 2 1 330.451 3.269 20 0 EGADMP Fc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1Br ZINC000666999512 461905753 /nfs/dbraw/zinc/90/57/53/461905753.db2.gz QPQGDDLVHCEUSK-LBPRGKRZSA-N 2 1 327.241 3.353 20 0 EGADMP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000647971838 461913434 /nfs/dbraw/zinc/91/34/34/461913434.db2.gz OASJGVAVWNVRFQ-RTBURBONSA-N 2 1 349.478 3.224 20 0 EGADMP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000647971838 461913435 /nfs/dbraw/zinc/91/34/35/461913435.db2.gz OASJGVAVWNVRFQ-RTBURBONSA-N 2 1 349.478 3.224 20 0 EGADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1F ZINC000650723092 461913912 /nfs/dbraw/zinc/91/39/12/461913912.db2.gz HKJCKOKLGUYZBP-SZVBFZGTSA-N 2 1 336.451 3.085 20 0 EGADMP COc1ccc([C@H](C)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650723037 461914290 /nfs/dbraw/zinc/91/42/90/461914290.db2.gz GOIPAUMJGISINV-VUBSUSDNSA-N 2 1 332.488 3.160 20 0 EGADMP CC(C)(C)c1ncc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650723571 461916122 /nfs/dbraw/zinc/91/61/22/461916122.db2.gz QIEVEBUDCWCJML-BMFZPTHFSA-N 2 1 337.533 3.301 20 0 EGADMP COc1ccc2oc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)cc2c1 ZINC000650723877 461916942 /nfs/dbraw/zinc/91/69/42/461916942.db2.gz VHYQIZIWZCWITN-CVAIRZPRSA-N 2 1 344.455 3.302 20 0 EGADMP CC(C)(C)c1cnc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650725396 461917664 /nfs/dbraw/zinc/91/76/64/461917664.db2.gz ZUCJLNSOILBYIY-RBSFLKMASA-N 2 1 337.533 3.301 20 0 EGADMP CC(C)(C)c1cnc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650725396 461917670 /nfs/dbraw/zinc/91/76/70/461917670.db2.gz ZUCJLNSOILBYIY-RBSFLKMASA-N 2 1 337.533 3.301 20 0 EGADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976564 461918970 /nfs/dbraw/zinc/91/89/70/461918970.db2.gz QDVXFRGERBTJDP-GBESFXJTSA-N 2 1 343.515 3.342 20 0 EGADMP Fc1cccc(-n2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647977885 461920666 /nfs/dbraw/zinc/92/06/66/461920666.db2.gz JLGAOPBWLNKPGZ-IAGOWNOFSA-N 2 1 342.462 3.223 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660717845 461936247 /nfs/dbraw/zinc/93/62/47/461936247.db2.gz LAQXFWGTYLSQDK-UHFFFAOYSA-N 2 1 342.491 3.324 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660717845 461936254 /nfs/dbraw/zinc/93/62/54/461936254.db2.gz LAQXFWGTYLSQDK-UHFFFAOYSA-N 2 1 342.491 3.324 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](CCc4cnccn4)CC[C@H]32)cc1 ZINC000639518385 461967004 /nfs/dbraw/zinc/96/70/04/461967004.db2.gz GHLNFCBHZNZETE-PZJWPPBQSA-N 2 1 336.483 3.006 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CCc4cnccn4)CC[C@H]32)cc1 ZINC000639518385 461967009 /nfs/dbraw/zinc/96/70/09/461967009.db2.gz GHLNFCBHZNZETE-PZJWPPBQSA-N 2 1 336.483 3.006 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CCc4cnccn4)CC[C@H]32)cc1 ZINC000639518385 461967012 /nfs/dbraw/zinc/96/70/12/461967012.db2.gz GHLNFCBHZNZETE-PZJWPPBQSA-N 2 1 336.483 3.006 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CCc4cnccn4)CC[C@H]32)cc1 ZINC000639518385 461967018 /nfs/dbraw/zinc/96/70/18/461967018.db2.gz GHLNFCBHZNZETE-PZJWPPBQSA-N 2 1 336.483 3.006 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(C)(C)c1cccs1 ZINC000644566689 461987081 /nfs/dbraw/zinc/98/70/81/461987081.db2.gz IWUPVWMKHPMMIT-KRWDZBQOSA-N 2 1 332.513 3.108 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(C)(C)c1cccs1 ZINC000644566689 461987087 /nfs/dbraw/zinc/98/70/87/461987087.db2.gz IWUPVWMKHPMMIT-KRWDZBQOSA-N 2 1 332.513 3.108 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(C3CC3)cnn2C)c1 ZINC000657332822 462052818 /nfs/dbraw/zinc/05/28/18/462052818.db2.gz QKRZLBPSNIDHLW-UHFFFAOYSA-N 2 1 326.488 3.428 20 0 EGADMP CCc1cccc2cc(C[NH2+]CCCN3CCC[N@@H+](C)CC3)oc21 ZINC000657349928 462064154 /nfs/dbraw/zinc/06/41/54/462064154.db2.gz OVBMOGQUJASKCS-UHFFFAOYSA-N 2 1 329.488 3.112 20 0 EGADMP Cc1noc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000639726738 462077237 /nfs/dbraw/zinc/07/72/37/462077237.db2.gz OEXQSPVHSUPKAC-UHFFFAOYSA-N 2 1 340.471 3.256 20 0 EGADMP c1nc2n(c1C[NH2+]C[C@@H]1CCCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000657468690 462142368 /nfs/dbraw/zinc/14/23/68/462142368.db2.gz AVORPPRNOQTCSD-IBGZPJMESA-N 2 1 338.499 3.221 20 0 EGADMP c1nc2n(c1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000657468690 462142372 /nfs/dbraw/zinc/14/23/72/462142372.db2.gz AVORPPRNOQTCSD-IBGZPJMESA-N 2 1 338.499 3.221 20 0 EGADMP C[C@@H](CCCc1cccnc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000651228795 462145895 /nfs/dbraw/zinc/14/58/95/462145895.db2.gz CIUGWIQDSOIGEK-FXAWDEMLSA-N 2 1 331.504 3.026 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)ncn1 ZINC000651280120 462163415 /nfs/dbraw/zinc/16/34/15/462163415.db2.gz MWKSPGAFVDDZLY-NJYVYQBISA-N 2 1 336.483 3.318 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)ncn1 ZINC000651280120 462163420 /nfs/dbraw/zinc/16/34/20/462163420.db2.gz MWKSPGAFVDDZLY-NJYVYQBISA-N 2 1 336.483 3.318 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000657563310 462181368 /nfs/dbraw/zinc/18/13/68/462181368.db2.gz LNLRTRVKUQRTHS-HXUWFJFHSA-N 2 1 329.532 3.156 20 0 EGADMP c1cc(O[C@@H]2CCOC2)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000667671336 462205022 /nfs/dbraw/zinc/20/50/22/462205022.db2.gz PBNOVSKATOGGMB-TZIWHRDSSA-N 2 1 344.499 3.162 20 0 EGADMP c1cc(O[C@@H]2CCOC2)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000667671336 462205028 /nfs/dbraw/zinc/20/50/28/462205028.db2.gz PBNOVSKATOGGMB-TZIWHRDSSA-N 2 1 344.499 3.162 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667723888 462231042 /nfs/dbraw/zinc/23/10/42/462231042.db2.gz MIYSCENWXHLQTL-UHFFFAOYSA-N 2 1 340.471 3.177 20 0 EGADMP C[C@@H](CCNC(=O)Nc1cccc(C[NH3+])c1)[N@@H+](C)Cc1ccccc1 ZINC000667725198 462232249 /nfs/dbraw/zinc/23/22/49/462232249.db2.gz AUZXEXNGRYGTMK-INIZCTEOSA-N 2 1 340.471 3.177 20 0 EGADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(COC[C@@H]2CCCO2)c1 ZINC000657802632 462275334 /nfs/dbraw/zinc/27/53/34/462275334.db2.gz COVNHTKVTNLAAP-NJYVYQBISA-N 2 1 344.499 3.099 20 0 EGADMP Cc1cc(NC(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cn2cc[nH+]c12 ZINC000640157880 462288155 /nfs/dbraw/zinc/28/81/55/462288155.db2.gz HGGBGPPJWMRIPD-NVXWUHKLSA-N 2 1 343.475 3.227 20 0 EGADMP CCOC1CCC([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000657853040 462298256 /nfs/dbraw/zinc/29/82/56/462298256.db2.gz YOHICLPTNNFBJK-MDMXATFFSA-N 2 1 346.515 3.345 20 0 EGADMP CCOC1CCC([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000657853040 462298263 /nfs/dbraw/zinc/29/82/63/462298263.db2.gz YOHICLPTNNFBJK-MDMXATFFSA-N 2 1 346.515 3.345 20 0 EGADMP CCOC1CCC([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000657868497 462303360 /nfs/dbraw/zinc/30/33/60/462303360.db2.gz UMNVERPVUXKOAG-MWXLCCTBSA-N 2 1 330.516 3.488 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc2ccncc2s1 ZINC000657878362 462305392 /nfs/dbraw/zinc/30/53/92/462305392.db2.gz GYFOKKIWNITYLA-ZBFHGGJFSA-N 2 1 333.501 3.184 20 0 EGADMP c1c2cnccc2oc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000651700073 462309139 /nfs/dbraw/zinc/30/91/39/462309139.db2.gz SDDPTMZLPZIYDW-GOSISDBHSA-N 2 1 335.451 3.482 20 0 EGADMP c1c2cnccc2oc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000651700073 462309142 /nfs/dbraw/zinc/30/91/42/462309142.db2.gz SDDPTMZLPZIYDW-GOSISDBHSA-N 2 1 335.451 3.482 20 0 EGADMP C[NH+](C)[C@@H](CC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000667945111 462338041 /nfs/dbraw/zinc/33/80/41/462338041.db2.gz IBYVYKXDBLZHRU-SFHVURJKSA-N 2 1 331.504 3.012 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661641125 462343718 /nfs/dbraw/zinc/34/37/18/462343718.db2.gz SGZNWYSVPPDORA-HNNXBMFYSA-N 2 1 342.270 3.325 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661641125 462343724 /nfs/dbraw/zinc/34/37/24/462343724.db2.gz SGZNWYSVPPDORA-HNNXBMFYSA-N 2 1 342.270 3.325 20 0 EGADMP C[NH+](C)CCOc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000665186975 462345514 /nfs/dbraw/zinc/34/55/14/462345514.db2.gz ZCALOAPRJLNXPR-UHFFFAOYSA-N 2 1 340.467 3.126 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1)c1c[nH+]ccc1N ZINC000665233634 462362307 /nfs/dbraw/zinc/36/23/07/462362307.db2.gz MDWNRSZTNFGFDR-KGLIPLIRSA-N 2 1 330.863 3.325 20 0 EGADMP c1ccc(CN2CCCO[C@H](C[N@H+]3CC[C@H](C4CCC4)C3)C2)cc1 ZINC000665290029 462387309 /nfs/dbraw/zinc/38/73/09/462387309.db2.gz GBRMBLVVAJEPHF-SFTDATJTSA-N 2 1 328.500 3.400 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1)c1c[nH+]ccc1N ZINC000665294624 462389367 /nfs/dbraw/zinc/38/93/67/462389367.db2.gz SBBRMOQNYSAGSV-YJBOKZPZSA-N 2 1 341.455 3.041 20 0 EGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1 ZINC000665294971 462390347 /nfs/dbraw/zinc/39/03/47/462390347.db2.gz ZFECWNUBLHGYGZ-XUVXKRRUSA-N 2 1 332.488 3.132 20 0 EGADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nnc(-c2ccccc2)o1 ZINC000640532335 462431446 /nfs/dbraw/zinc/43/14/46/462431446.db2.gz XEWWPMMONPDUCV-UHFFFAOYSA-N 2 1 328.460 3.435 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nnc(-c2ccccc2)o1 ZINC000640532335 462431456 /nfs/dbraw/zinc/43/14/56/462431456.db2.gz XEWWPMMONPDUCV-UHFFFAOYSA-N 2 1 328.460 3.435 20 0 EGADMP COc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2C)c2ccccn2)cc1 ZINC000652141420 462448025 /nfs/dbraw/zinc/44/80/25/462448025.db2.gz OXRJKTZBAOAPMT-FQEVSTJZSA-N 2 1 336.439 3.364 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652150997 462452249 /nfs/dbraw/zinc/45/22/49/462452249.db2.gz GFBRHCHQXMHZOG-HOCLYGCPSA-N 2 1 336.476 3.095 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000649288374 462467804 /nfs/dbraw/zinc/46/78/04/462467804.db2.gz MZFLJZDNZLNEAI-MRXNPFEDSA-N 2 1 331.504 3.052 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCC(C)(C)[NH3+] ZINC000649288486 462468325 /nfs/dbraw/zinc/46/83/25/462468325.db2.gz VAKMXTMDRFUECQ-MRXNPFEDSA-N 2 1 331.504 3.195 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649294976 462469570 /nfs/dbraw/zinc/46/95/70/462469570.db2.gz ZYVXHIOEPBZEEQ-RHSMWYFYSA-N 2 1 337.895 3.111 20 0 EGADMP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000649301805 462473517 /nfs/dbraw/zinc/47/35/17/462473517.db2.gz GAHHMQIWBMGMCK-VQTJNVASSA-N 2 1 339.483 3.382 20 0 EGADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000649301805 462473521 /nfs/dbraw/zinc/47/35/21/462473521.db2.gz GAHHMQIWBMGMCK-VQTJNVASSA-N 2 1 339.483 3.382 20 0 EGADMP CO[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000649301803 462473542 /nfs/dbraw/zinc/47/35/42/462473542.db2.gz GAHHMQIWBMGMCK-PMACEKPBSA-N 2 1 339.483 3.382 20 0 EGADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000649301803 462473548 /nfs/dbraw/zinc/47/35/48/462473548.db2.gz GAHHMQIWBMGMCK-PMACEKPBSA-N 2 1 339.483 3.382 20 0 EGADMP [NH3+]C1(CC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CCC1 ZINC000645961319 462480486 /nfs/dbraw/zinc/48/04/86/462480486.db2.gz MRPLKKZHRYYWDB-QGZVFWFLSA-N 2 1 349.906 3.082 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)[C@H](C)[NH3+] ZINC000649378512 462492636 /nfs/dbraw/zinc/49/26/36/462492636.db2.gz CHDLXXIVLIMJPZ-AOIWGVFYSA-N 2 1 337.552 3.109 20 0 EGADMP c1ccc(C[N@@H+]2CCN(C[C@H]3CC[NH2+]C3)CC23CCCCC3)cc1 ZINC000649414161 462502878 /nfs/dbraw/zinc/50/28/78/462502878.db2.gz JXSJJFYSSCAGEK-FQEVSTJZSA-N 2 1 327.516 3.117 20 0 EGADMP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000187994084 534187997 /nfs/dbraw/zinc/18/79/97/534187997.db2.gz GCEKKLMIBNLNPS-NJYVYQBISA-N 2 1 330.516 3.323 20 0 EGADMP Brc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000166312062 526639824 /nfs/dbraw/zinc/63/98/24/526639824.db2.gz QFZGMDBEHYULIN-NWDGAFQWSA-N 2 1 329.307 3.270 20 0 EGADMP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000155237004 526701344 /nfs/dbraw/zinc/70/13/44/526701344.db2.gz XNSLZHLZTUXSKZ-XZSMBWTPSA-N 2 1 343.515 3.076 20 0 EGADMP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000155237004 526701346 /nfs/dbraw/zinc/70/13/46/526701346.db2.gz XNSLZHLZTUXSKZ-XZSMBWTPSA-N 2 1 343.515 3.076 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000171479017 527859671 /nfs/dbraw/zinc/85/96/71/527859671.db2.gz ZLOSQDCFSZOVRN-GOSISDBHSA-N 2 1 331.504 3.059 20 0 EGADMP CC[NH+](CC)CCC[NH+]1CCC(OCc2ccccc2OC)CC1 ZINC000191819130 528103790 /nfs/dbraw/zinc/10/37/90/528103790.db2.gz SPSSCIJEVIABSK-UHFFFAOYSA-N 2 1 334.504 3.408 20 0 EGADMP CC(C)[NH+]1CCN(CCC[NH+](Cc2ccco2)Cc2ccco2)CC1 ZINC000191377584 529041782 /nfs/dbraw/zinc/04/17/82/529041782.db2.gz XHYPNAXRGJHAMQ-UHFFFAOYSA-N 2 1 345.487 3.291 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000154509705 529143372 /nfs/dbraw/zinc/14/33/72/529143372.db2.gz NJYXEYWASXLQRC-RTBURBONSA-N 2 1 347.547 3.195 20 0 EGADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(Cl)s2)CC1 ZINC000154468222 529143538 /nfs/dbraw/zinc/14/35/38/529143538.db2.gz XEHAXGLJTBGAMI-CQSZACIVSA-N 2 1 329.941 3.470 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000187662680 529143799 /nfs/dbraw/zinc/14/37/99/529143799.db2.gz WIDJPYHXXISSGJ-QGZVFWFLSA-N 2 1 337.939 3.451 20 0 EGADMP CC1(C)C[C@H](NC[C@@H]2CC[NH+](C3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000090169233 546654813 /nfs/dbraw/zinc/65/48/13/546654813.db2.gz LPWXMXJKYPDGIJ-OALUTQOASA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000090169233 546654817 /nfs/dbraw/zinc/65/48/17/546654817.db2.gz LPWXMXJKYPDGIJ-OALUTQOASA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000090169233 546654822 /nfs/dbraw/zinc/65/48/22/546654822.db2.gz LPWXMXJKYPDGIJ-OALUTQOASA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CN1Cc1ccccc1 ZINC000090169233 546654827 /nfs/dbraw/zinc/65/48/27/546654827.db2.gz LPWXMXJKYPDGIJ-OALUTQOASA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CN1Cc1ccccc1 ZINC000090169233 546654833 /nfs/dbraw/zinc/65/48/33/546654833.db2.gz LPWXMXJKYPDGIJ-OALUTQOASA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166626950 546989238 /nfs/dbraw/zinc/98/92/38/546989238.db2.gz YHXAFNJHSSXPJX-JRGCBEDISA-N 2 1 327.516 3.428 20 0 EGADMP CCc1cccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185660092 547121762 /nfs/dbraw/zinc/12/17/62/547121762.db2.gz ULDGPNJTMQJABX-WMZOPIPTSA-N 2 1 343.515 3.430 20 0 EGADMP CCc1cccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185660092 547121766 /nfs/dbraw/zinc/12/17/66/547121766.db2.gz ULDGPNJTMQJABX-WMZOPIPTSA-N 2 1 343.515 3.430 20 0 EGADMP O=C(CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Nc1ccc(Cl)cc1 ZINC000246433986 547279879 /nfs/dbraw/zinc/27/98/79/547279879.db2.gz INVPGEHUJZZBHI-SJORKVTESA-N 2 1 335.879 3.275 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000248449315 547299140 /nfs/dbraw/zinc/29/91/40/547299140.db2.gz ONEMDZNSHVHFDO-CTNGQTDRSA-N 2 1 340.442 3.169 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339066120 547568473 /nfs/dbraw/zinc/56/84/73/547568473.db2.gz BUJHVWVGJQQOPQ-PMACEKPBSA-N 3 1 345.531 3.124 20 0 EGADMP CC[NH+](CC)CCOc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339066120 547568477 /nfs/dbraw/zinc/56/84/77/547568477.db2.gz BUJHVWVGJQQOPQ-PMACEKPBSA-N 2 1 345.531 3.124 20 0 EGADMP CC[NH+](CC)CCOc1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339066120 547568484 /nfs/dbraw/zinc/56/84/84/547568484.db2.gz BUJHVWVGJQQOPQ-PMACEKPBSA-N 2 1 345.531 3.124 20 0 EGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000339065827 547569149 /nfs/dbraw/zinc/56/91/49/547569149.db2.gz CPYVFKWFAXGZDB-ZWOKBUDYSA-N 2 1 330.472 3.371 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000339347003 547575354 /nfs/dbraw/zinc/57/53/54/547575354.db2.gz SRQGQYXLNIBFCB-SFHVURJKSA-N 2 1 345.531 3.278 20 0 EGADMP C[C@H]1CCCC[NH+]1CCC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000339347003 547575359 /nfs/dbraw/zinc/57/53/59/547575359.db2.gz SRQGQYXLNIBFCB-SFHVURJKSA-N 2 1 345.531 3.278 20 0 EGADMP C[C@H]1CCCC[NH+]1CCC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000339347003 547575366 /nfs/dbraw/zinc/57/53/66/547575366.db2.gz SRQGQYXLNIBFCB-SFHVURJKSA-N 2 1 345.531 3.278 20 0 EGADMP CC(C)C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000354329721 547705571 /nfs/dbraw/zinc/70/55/71/547705571.db2.gz LZJXLVYRMQUTTE-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2scnc2C2CC2)[C@@H](C)C1 ZINC000487273941 547972485 /nfs/dbraw/zinc/97/24/85/547972485.db2.gz NWEJDGGCZIFNQA-HOCLYGCPSA-N 2 1 337.533 3.247 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2scnc2C2CC2)[C@@H](C)C1 ZINC000487273941 547972490 /nfs/dbraw/zinc/97/24/90/547972490.db2.gz NWEJDGGCZIFNQA-HOCLYGCPSA-N 2 1 337.533 3.247 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2scnc2C2CC2)[C@H](C)C1 ZINC000487273937 547972606 /nfs/dbraw/zinc/97/26/06/547972606.db2.gz NWEJDGGCZIFNQA-GDBMZVCRSA-N 2 1 337.533 3.247 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2scnc2C2CC2)[C@H](C)C1 ZINC000487273937 547972610 /nfs/dbraw/zinc/97/26/10/547972610.db2.gz NWEJDGGCZIFNQA-GDBMZVCRSA-N 2 1 337.533 3.247 20 0 EGADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000675809564 548986545 /nfs/dbraw/zinc/98/65/45/548986545.db2.gz KVUVGNOFAYHYSL-DUXKGJEZSA-N 2 1 327.516 3.286 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000675809564 548986548 /nfs/dbraw/zinc/98/65/48/548986548.db2.gz KVUVGNOFAYHYSL-DUXKGJEZSA-N 2 1 327.516 3.286 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1F ZINC000675882938 548996197 /nfs/dbraw/zinc/99/61/97/548996197.db2.gz VOEJGXJWSOJYTR-WMLDXEAASA-N 2 1 336.451 3.128 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000678285230 549460344 /nfs/dbraw/zinc/46/03/44/549460344.db2.gz QGOYRFYXZHCDTK-SFHVURJKSA-N 2 1 327.472 3.168 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2OCCc3ccccc32)[C@H](C)C1 ZINC000678585903 549524601 /nfs/dbraw/zinc/52/46/01/549524601.db2.gz PXQMUDIZQRDYMU-QMMLZNLJSA-N 2 1 346.515 3.027 20 0 EGADMP Cc1cc(C[NH+]2CCSCC2)ccc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000679143051 549643729 /nfs/dbraw/zinc/64/37/29/549643729.db2.gz OWVGQXMQGDCXDV-WMZOPIPTSA-N 2 1 333.545 3.438 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CN1CCCCC1)c1ccccc1 ZINC000679936734 549792799 /nfs/dbraw/zinc/79/27/99/549792799.db2.gz BDVYLXWKDWFEOX-HXUWFJFHSA-N 2 1 326.488 3.398 20 0 EGADMP C[C@@H]1COc2ccccc2C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000680001000 549803847 /nfs/dbraw/zinc/80/38/47/549803847.db2.gz SLSVPGPZDBKTAY-QGZVFWFLSA-N 2 1 340.467 3.410 20 0 EGADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](Cc2ccccc2Cl)c2ccccc2)C1 ZINC000680827482 549915374 /nfs/dbraw/zinc/91/53/74/549915374.db2.gz YLCLFLVTYXJKGL-WOJBJXKFSA-N 2 1 344.886 3.280 20 0 EGADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](Cc2ccccc2Cl)c2ccccc2)C1 ZINC000680827482 549915376 /nfs/dbraw/zinc/91/53/76/549915376.db2.gz YLCLFLVTYXJKGL-WOJBJXKFSA-N 2 1 344.886 3.280 20 0 EGADMP Cc1csc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000681387038 549990130 /nfs/dbraw/zinc/99/01/30/549990130.db2.gz CVFLHMQVHMKMML-FUHWJXTLSA-N 2 1 329.513 3.494 20 0 EGADMP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000682408933 550095745 /nfs/dbraw/zinc/09/57/45/550095745.db2.gz DKUGEOMSTKUKCP-OPYAIIAOSA-N 2 1 346.515 3.143 20 0 EGADMP COCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC[C@H](C)C1 ZINC000683001549 550176731 /nfs/dbraw/zinc/17/67/31/550176731.db2.gz UBWRKTOQQZRGAL-PKOBYXMFSA-N 2 1 334.504 3.264 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCO1 ZINC000684969398 550390026 /nfs/dbraw/zinc/39/00/26/550390026.db2.gz WFELJNNGAYWUOA-IBGZPJMESA-N 2 1 332.488 3.162 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000685849564 550448067 /nfs/dbraw/zinc/44/80/67/550448067.db2.gz NBUFWQXWODNXEM-MOPGFXCFSA-N 2 1 332.488 3.016 20 0 EGADMP c1ccc(C[NH+]2CCCC2)c(CNc2nc(N3CCCC3)cc[nH+]2)c1 ZINC000730106542 574920179 /nfs/dbraw/zinc/92/01/79/574920179.db2.gz JOUYMAAUNCKRLI-UHFFFAOYSA-N 2 1 337.471 3.285 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687948731 1298121324 /nfs/dbraw/zinc/12/13/24/1298121324.db2.gz LLMJOWNQTBAFNR-MRXNPFEDSA-N 2 1 341.524 3.100 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687948731 1298121332 /nfs/dbraw/zinc/12/13/32/1298121332.db2.gz LLMJOWNQTBAFNR-MRXNPFEDSA-N 2 1 341.524 3.100 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687948731 1298121335 /nfs/dbraw/zinc/12/13/35/1298121335.db2.gz LLMJOWNQTBAFNR-MRXNPFEDSA-N 2 1 341.524 3.100 20 0 EGADMP CC[NH+]1CCN(c2ccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2F)CC1 ZINC000877767462 1299544813 /nfs/dbraw/zinc/54/48/13/1299544813.db2.gz KFCCWKSWEKNJTK-ZWKOTPCHSA-N 2 1 346.494 3.006 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cccs3)cc2)CC1 ZINC000061069981 1291959628 /nfs/dbraw/zinc/95/96/28/1291959628.db2.gz ISYYBKQQXIKNQA-UHFFFAOYSA-N 2 1 329.513 3.175 20 0 EGADMP CCc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)s1 ZINC000066586954 1292124051 /nfs/dbraw/zinc/12/40/51/1292124051.db2.gz AUZKTZCCDYOZGU-UHFFFAOYSA-N 2 1 343.540 3.348 20 0 EGADMP COc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000067976701 1292179735 /nfs/dbraw/zinc/17/97/35/1292179735.db2.gz ZZTMRRWVQOEUHF-QGZVFWFLSA-N 2 1 340.467 3.206 20 0 EGADMP COc1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000067976701 1292179737 /nfs/dbraw/zinc/17/97/37/1292179737.db2.gz ZZTMRRWVQOEUHF-QGZVFWFLSA-N 2 1 340.467 3.206 20 0 EGADMP CCCOc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000076762613 1292441083 /nfs/dbraw/zinc/44/10/83/1292441083.db2.gz MWERRNMCGDDPGW-SFHVURJKSA-N 2 1 332.488 3.066 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cn2ccc(-c3cccs3)n2)C1 ZINC000083114097 1292679401 /nfs/dbraw/zinc/67/94/01/1292679401.db2.gz AXDXVSWRZZDJBP-MRXNPFEDSA-N 2 1 348.516 3.002 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cn2ccc(-c3cccs3)n2)C1 ZINC000083114097 1292679408 /nfs/dbraw/zinc/67/94/08/1292679408.db2.gz AXDXVSWRZZDJBP-MRXNPFEDSA-N 2 1 348.516 3.002 20 0 EGADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103173637 1292996485 /nfs/dbraw/zinc/99/64/85/1292996485.db2.gz SPSXTBQMANJZLQ-SFHVURJKSA-N 2 1 340.515 3.361 20 0 EGADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000103173637 1292996495 /nfs/dbraw/zinc/99/64/95/1292996495.db2.gz SPSXTBQMANJZLQ-SFHVURJKSA-N 2 1 340.515 3.361 20 0 EGADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000106486044 1293051099 /nfs/dbraw/zinc/05/10/99/1293051099.db2.gz NHWUDWSSBJHYQQ-HNNXBMFYSA-N 2 1 347.890 3.326 20 0 EGADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc(Cl)c1OC ZINC000108428871 1293081053 /nfs/dbraw/zinc/08/10/53/1293081053.db2.gz ONYCUDYVZNDHLX-CYBMUJFWSA-N 2 1 326.868 3.179 20 0 EGADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc(Cl)c1OC ZINC000108428871 1293081061 /nfs/dbraw/zinc/08/10/61/1293081061.db2.gz ONYCUDYVZNDHLX-CYBMUJFWSA-N 2 1 326.868 3.179 20 0 EGADMP CC1([NH+]2CCC2)CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000834788352 1293149093 /nfs/dbraw/zinc/14/90/93/1293149093.db2.gz GVVAMEKTDOBMIV-MPQSDHOMSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](CNCc2ccc(-n3ccnc3)cc2)C1 ZINC000120851072 1293342466 /nfs/dbraw/zinc/34/24/66/1293342466.db2.gz GLKCJEUFZCVTNN-LJQANCHMSA-N 3 1 326.488 3.330 20 0 EGADMP Cc1nc(C)c(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)s1 ZINC000123736283 1293453600 /nfs/dbraw/zinc/45/36/00/1293453600.db2.gz QMMOCKKRHGVZRQ-UHFFFAOYSA-N 2 1 348.516 3.367 20 0 EGADMP c1c(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)nc2ccccn12 ZINC000128423050 1293592669 /nfs/dbraw/zinc/59/26/69/1293592669.db2.gz JNVVMRCOCPCZSE-UHFFFAOYSA-N 2 1 334.467 3.131 20 0 EGADMP C(CCC[N@H+]1CCOCC12CCC2)CC[NH+]1CCOCC12CCC2 ZINC000135506316 1293797907 /nfs/dbraw/zinc/79/79/07/1293797907.db2.gz QTRNEUSKQLVRKZ-UHFFFAOYSA-N 2 1 336.520 3.057 20 0 EGADMP CC(C)OCCN1CCC([NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000151068107 1293905693 /nfs/dbraw/zinc/90/56/93/1293905693.db2.gz RJMJTQLEXRHBBX-UHFFFAOYSA-N 2 1 328.859 3.458 20 0 EGADMP CCCCC[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156885698 1294162352 /nfs/dbraw/zinc/16/23/52/1294162352.db2.gz WOJDUQOQIISWJO-XLIONFOSSA-N 2 1 345.531 3.442 20 0 EGADMP CCCCCCNC(=O)[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000160752653 1294276921 /nfs/dbraw/zinc/27/69/21/1294276921.db2.gz FRLPWWLUUYIPAN-LJQANCHMSA-N 2 1 337.552 3.271 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cn2cccnc2=S)CC1 ZINC000171041601 1294391583 /nfs/dbraw/zinc/39/15/83/1294391583.db2.gz VVFJOGXLWQDPFW-UHFFFAOYSA-N 2 1 342.512 3.414 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cn2cccnc2=S)CC1 ZINC000171041601 1294391585 /nfs/dbraw/zinc/39/15/85/1294391585.db2.gz VVFJOGXLWQDPFW-UHFFFAOYSA-N 2 1 342.512 3.414 20 0 EGADMP C[N@H+](CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)C1CCCC1 ZINC000177554091 1294677637 /nfs/dbraw/zinc/67/76/37/1294677637.db2.gz DVUQPZLTPVBEDT-UHFFFAOYSA-N 2 1 339.524 3.098 20 0 EGADMP C[N@@H+](CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)C1CCCC1 ZINC000177554091 1294677648 /nfs/dbraw/zinc/67/76/48/1294677648.db2.gz DVUQPZLTPVBEDT-UHFFFAOYSA-N 2 1 339.524 3.098 20 0 EGADMP COCc1cc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)ccc1OC ZINC000178703579 1294751588 /nfs/dbraw/zinc/75/15/88/1294751588.db2.gz QEJAXRBPFXEJAE-HUUCEWRRSA-N 2 1 331.460 3.333 20 0 EGADMP C[N@@H+](CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CCCC1 ZINC000182730989 1295070547 /nfs/dbraw/zinc/07/05/47/1295070547.db2.gz DYTCAKIFDUHXPM-INIZCTEOSA-N 2 1 339.524 3.240 20 0 EGADMP C[N@H+](CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CCCC1 ZINC000182730989 1295070534 /nfs/dbraw/zinc/07/05/34/1295070534.db2.gz DYTCAKIFDUHXPM-INIZCTEOSA-N 2 1 339.524 3.240 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000185233697 1295249719 /nfs/dbraw/zinc/24/97/19/1295249719.db2.gz YKIYOPNQSSZTOL-ZWKOTPCHSA-N 2 1 326.525 3.058 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1cnc2cc(F)c(F)cc21 ZINC000191277153 1295665522 /nfs/dbraw/zinc/66/55/22/1295665522.db2.gz KSDUNHGFOVUKBE-UHFFFAOYSA-N 2 1 347.413 3.443 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1cnc2cc(F)c(F)cc21 ZINC000191277153 1295665536 /nfs/dbraw/zinc/66/55/36/1295665536.db2.gz KSDUNHGFOVUKBE-UHFFFAOYSA-N 2 1 347.413 3.443 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000870865664 1296121112 /nfs/dbraw/zinc/12/11/12/1296121112.db2.gz BOZOZIDAWBUFBP-NSISKUIASA-N 2 1 343.515 3.195 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870867417 1296121429 /nfs/dbraw/zinc/12/14/29/1296121429.db2.gz LMPVOGAPJABUPS-ZWOKBUDYSA-N 2 1 343.515 3.195 20 0 EGADMP C[C@H]1CCC[C@@](C[NH2+]CCCNC(=O)OC(C)(C)C)([NH+](C)C)C1 ZINC000227409836 1296142745 /nfs/dbraw/zinc/14/27/45/1296142745.db2.gz HSUNZOJXPPRKBC-MAUKXSAKSA-N 2 1 327.513 3.001 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(F)c3Br)C[C@H]21 ZINC000228546284 1296154876 /nfs/dbraw/zinc/15/48/76/1296154876.db2.gz FZCCBDLLRTZYAZ-ZKYQVNSYSA-N 2 1 327.241 3.147 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(F)c3Br)C[C@H]21 ZINC000228546284 1296154879 /nfs/dbraw/zinc/15/48/79/1296154879.db2.gz FZCCBDLLRTZYAZ-ZKYQVNSYSA-N 2 1 327.241 3.147 20 0 EGADMP CC[N@@H+]1CCCC[C@H]1CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000236830272 1296205319 /nfs/dbraw/zinc/20/53/19/1296205319.db2.gz MMJFMMGOFJNPLU-FQEVSTJZSA-N 2 1 345.531 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@H]1CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000236830272 1296205326 /nfs/dbraw/zinc/20/53/26/1296205326.db2.gz MMJFMMGOFJNPLU-FQEVSTJZSA-N 2 1 345.531 3.125 20 0 EGADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1F ZINC000238122458 1296279400 /nfs/dbraw/zinc/27/94/00/1296279400.db2.gz MZAMECPMAAZCKL-HXUWFJFHSA-N 2 1 328.431 3.113 20 0 EGADMP CN(C[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000248043256 1296404567 /nfs/dbraw/zinc/40/45/67/1296404567.db2.gz MLLCYQDUGATIDF-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP CN(C[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000248043256 1296404570 /nfs/dbraw/zinc/40/45/70/1296404570.db2.gz MLLCYQDUGATIDF-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP CN(C[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000248043256 1296404573 /nfs/dbraw/zinc/40/45/73/1296404573.db2.gz MLLCYQDUGATIDF-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000248178412 1296407662 /nfs/dbraw/zinc/40/76/62/1296407662.db2.gz XCEFMDPNRFNOGW-ZWKOTPCHSA-N 2 1 347.503 3.187 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000248178412 1296407670 /nfs/dbraw/zinc/40/76/70/1296407670.db2.gz XCEFMDPNRFNOGW-ZWKOTPCHSA-N 2 1 347.503 3.187 20 0 EGADMP c1cncc(COc2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2)c1 ZINC000262071301 1296617283 /nfs/dbraw/zinc/61/72/83/1296617283.db2.gz SDOHPCWCJUZDIJ-UHFFFAOYSA-N 2 1 337.467 3.236 20 0 EGADMP [NH3+][C@H](C[C@@H]1CCC[N@H+](Cc2nccn2C(F)F)C1)C1CCCC1 ZINC000872157740 1296776879 /nfs/dbraw/zinc/77/68/79/1296776879.db2.gz QKIJELXANUQUSU-DZGCQCFKSA-N 2 1 326.435 3.398 20 0 EGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2nccn2C(F)F)C1)C1CCCC1 ZINC000872157740 1296776889 /nfs/dbraw/zinc/77/68/89/1296776889.db2.gz QKIJELXANUQUSU-DZGCQCFKSA-N 2 1 326.435 3.398 20 0 EGADMP C[N@H+]1CC[C@H]2[C@H](CCCN2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592337 1297018468 /nfs/dbraw/zinc/01/84/68/1297018468.db2.gz NWTXIHNWLOBOJD-APWZRJJASA-N 2 1 328.435 3.063 20 0 EGADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592337 1297018483 /nfs/dbraw/zinc/01/84/83/1297018483.db2.gz NWTXIHNWLOBOJD-APWZRJJASA-N 2 1 328.435 3.063 20 0 EGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592337 1297018497 /nfs/dbraw/zinc/01/84/97/1297018497.db2.gz NWTXIHNWLOBOJD-APWZRJJASA-N 2 1 328.435 3.063 20 0 EGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592337 1297018512 /nfs/dbraw/zinc/01/85/12/1297018512.db2.gz NWTXIHNWLOBOJD-APWZRJJASA-N 2 1 328.435 3.063 20 0 EGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592337 1297018530 /nfs/dbraw/zinc/01/85/30/1297018530.db2.gz NWTXIHNWLOBOJD-APWZRJJASA-N 2 1 328.435 3.063 20 0 EGADMP CC(C)[NH+](CC[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)C(C)C ZINC000309909227 1297079014 /nfs/dbraw/zinc/07/90/14/1297079014.db2.gz TVZWGHQXRXAMQC-IRXDYDNUSA-N 2 1 341.540 3.388 20 0 EGADMP C[C@@]1(C[NH2+]C[C@@H](O)c2cccc(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310881030 1297101000 /nfs/dbraw/zinc/10/10/00/1297101000.db2.gz IEIOFCRLZMQKKG-RTWAWAEBSA-N 2 1 342.458 3.361 20 0 EGADMP C[C@@H](CC[NH2+]C[C@H](O)c1cccc(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000379635184 1297536982 /nfs/dbraw/zinc/53/69/82/1297536982.db2.gz QLMUNTVGXLWJGF-JXFKEZNVSA-N 2 1 330.447 3.359 20 0 EGADMP C[NH+](C)C1(C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)CCCCC1 ZINC000382984105 1297566894 /nfs/dbraw/zinc/56/68/94/1297566894.db2.gz VFTAWLGXCQFKMO-INIZCTEOSA-N 2 1 339.524 3.240 20 0 EGADMP CCC[N@H+](CC)CC[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400446829 1297730877 /nfs/dbraw/zinc/73/08/77/1297730877.db2.gz PSVMKKJNQBSTHO-MRXNPFEDSA-N 2 1 341.540 3.344 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400446829 1297730887 /nfs/dbraw/zinc/73/08/87/1297730887.db2.gz PSVMKKJNQBSTHO-MRXNPFEDSA-N 2 1 341.540 3.344 20 0 EGADMP C[C@@H]1CN(C(=O)CCCCC[NH3+])[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000404513035 1297755016 /nfs/dbraw/zinc/75/50/16/1297755016.db2.gz QTBPAWGBZRVFCB-FGTMMUONSA-N 2 1 331.504 3.015 20 0 EGADMP c1ccc(C[NH+]2CCC3(CCN(C[C@H]4CCC[NH2+]C4)CC3)CC2)cc1 ZINC000691915733 1298138701 /nfs/dbraw/zinc/13/87/01/1298138701.db2.gz CLHWMGLNQNEZMC-NRFANRHFSA-N 2 1 341.543 3.364 20 0 EGADMP C[C@@H]1CCC[C@H](C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000711807222 1298261452 /nfs/dbraw/zinc/26/14/52/1298261452.db2.gz CGTYVZBZVSTWKU-HLAWJBBLSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1CCC[C@H](C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000711807222 1298261460 /nfs/dbraw/zinc/26/14/60/1298261460.db2.gz CGTYVZBZVSTWKU-HLAWJBBLSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1CCC[C@H](C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000711807222 1298261466 /nfs/dbraw/zinc/26/14/66/1298261466.db2.gz CGTYVZBZVSTWKU-HLAWJBBLSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1CCC[C@H](C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000711807222 1298261475 /nfs/dbraw/zinc/26/14/75/1298261475.db2.gz CGTYVZBZVSTWKU-HLAWJBBLSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOC(F)(F)F ZINC000713415580 1298269860 /nfs/dbraw/zinc/26/98/60/1298269860.db2.gz KRHMDXBPTGYLTE-HOCLYGCPSA-N 2 1 330.394 3.413 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOC(F)(F)F ZINC000713415580 1298269865 /nfs/dbraw/zinc/26/98/65/1298269865.db2.gz KRHMDXBPTGYLTE-HOCLYGCPSA-N 2 1 330.394 3.413 20 0 EGADMP CC(C)CC[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000719932216 1298325261 /nfs/dbraw/zinc/32/52/61/1298325261.db2.gz IPZIDEKRBLMGJP-UXHICEINSA-N 2 1 345.531 3.263 20 0 EGADMP CC(C)[NH+](CC[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)C(C)C ZINC000724033422 1298345818 /nfs/dbraw/zinc/34/58/18/1298345818.db2.gz WYFURSKWDSKQGM-IAGOWNOFSA-N 2 1 341.540 3.388 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000876708235 1298931371 /nfs/dbraw/zinc/93/13/71/1298931371.db2.gz IUONNVNKQBQFLQ-KXBFYZLASA-N 2 1 347.478 3.337 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccco1 ZINC000876916446 1299065267 /nfs/dbraw/zinc/06/52/67/1299065267.db2.gz BQHRNQMXGIBYNO-NZSAHSFTSA-N 2 1 326.440 3.271 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccco1 ZINC000876916446 1299065273 /nfs/dbraw/zinc/06/52/73/1299065273.db2.gz BQHRNQMXGIBYNO-NZSAHSFTSA-N 2 1 326.440 3.271 20 0 EGADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000749224759 1299169823 /nfs/dbraw/zinc/16/98/23/1299169823.db2.gz WBUBUKFKFCHBQT-HXUWFJFHSA-N 2 1 343.515 3.114 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877444161 1299303640 /nfs/dbraw/zinc/30/36/40/1299303640.db2.gz JUEFWFDWSQETMT-SJLPKXTDSA-N 2 1 346.519 3.153 20 0 EGADMP CC[N@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000877527072 1299369673 /nfs/dbraw/zinc/36/96/73/1299369673.db2.gz LKARZAHPLYVFCW-UHFFFAOYSA-N 2 1 336.430 3.139 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000877527072 1299369680 /nfs/dbraw/zinc/36/96/80/1299369680.db2.gz LKARZAHPLYVFCW-UHFFFAOYSA-N 2 1 336.430 3.139 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000877528492 1299370194 /nfs/dbraw/zinc/37/01/94/1299370194.db2.gz BOVFWYDURSRLOZ-KFNAQCHYSA-N 2 1 331.287 3.489 20 0 EGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000877528034 1299370693 /nfs/dbraw/zinc/37/06/93/1299370693.db2.gz RQERLFINGUCNOZ-UHFFFAOYSA-N 2 1 331.504 3.086 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000877528034 1299370705 /nfs/dbraw/zinc/37/07/05/1299370705.db2.gz RQERLFINGUCNOZ-UHFFFAOYSA-N 2 1 331.504 3.086 20 0 EGADMP C[C@H]1C[C@@H](CCNc2nc(N(C)C)cc[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000753818724 1300024384 /nfs/dbraw/zinc/02/43/84/1300024384.db2.gz XFYHYNIFUGQNQD-FUHWJXTLSA-N 2 1 339.487 3.255 20 0 EGADMP C[C@H]1C[C@@H](CCNc2nc(N(C)C)cc[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000753818724 1300024392 /nfs/dbraw/zinc/02/43/92/1300024392.db2.gz XFYHYNIFUGQNQD-FUHWJXTLSA-N 2 1 339.487 3.255 20 0 EGADMP O[C@H](C[NH2+][C@H](Cc1ccccc1)c1cccs1)C[NH+]1CCCC1 ZINC000754370168 1300131976 /nfs/dbraw/zinc/13/19/76/1300131976.db2.gz WWYZJGAFBSWAFN-QZTJIDSGSA-N 2 1 330.497 3.078 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)cc(=O)oc2c1 ZINC000878746003 1300171797 /nfs/dbraw/zinc/17/17/97/1300171797.db2.gz PEAXEUWNWBJCLO-UHFFFAOYSA-N 2 1 349.434 3.209 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H]1CCC[C@H](c3ccccc3)O1)CCO2 ZINC000878769262 1300183695 /nfs/dbraw/zinc/18/36/95/1300183695.db2.gz NQJUPSMIQJNOEF-VQTJNVASSA-N 2 1 344.499 3.093 20 0 EGADMP c1cc(N2CCCCC2)ccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000754785355 1300215012 /nfs/dbraw/zinc/21/50/12/1300215012.db2.gz KPGKYWKLKIQFGZ-PZJWPPBQSA-N 2 1 327.516 3.436 20 0 EGADMP c1cc(C[NH+]2CCC3(CCCCO3)CC2)ccc1C[NH+]1CCOCC1 ZINC000880458712 1301126085 /nfs/dbraw/zinc/12/60/85/1301126085.db2.gz IWVIZCNBHMVUTM-UHFFFAOYSA-N 2 1 344.499 3.054 20 0 EGADMP CC(C)[C@H]1CC(=O)N(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000763216166 1301846876 /nfs/dbraw/zinc/84/68/76/1301846876.db2.gz OHUUZPOPBWDDEM-ICSRJNTNSA-N 2 1 349.563 3.425 20 0 EGADMP CC(C)[C@H]1CC(=O)N(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000763216166 1301846885 /nfs/dbraw/zinc/84/68/85/1301846885.db2.gz OHUUZPOPBWDDEM-ICSRJNTNSA-N 2 1 349.563 3.425 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cn1cccn1 ZINC000766166928 1302402941 /nfs/dbraw/zinc/40/29/41/1302402941.db2.gz XSFIEHWQNXPOJE-JTDSTZFVSA-N 2 1 342.487 3.073 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cn1cccn1 ZINC000766166928 1302402945 /nfs/dbraw/zinc/40/29/45/1302402945.db2.gz XSFIEHWQNXPOJE-JTDSTZFVSA-N 2 1 342.487 3.073 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H]2CC3(CCOCC3)Oc3ccccc32)CC1 ZINC000883384665 1302424285 /nfs/dbraw/zinc/42/42/85/1302424285.db2.gz WNEQMPKFYAWCII-SFHVURJKSA-N 2 1 330.472 3.133 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883435404 1302443994 /nfs/dbraw/zinc/44/39/94/1302443994.db2.gz SDOJJGAHFSICHE-ADAARDCZSA-N 2 1 344.499 3.268 20 0 EGADMP c1cc2c(cc1C[N@H+]1CCCC[C@H](C3CCOCC3)C1)C[NH2+]CC2 ZINC000883462032 1302452966 /nfs/dbraw/zinc/45/29/66/1302452966.db2.gz INBFYOZCIXXLTE-FQEVSTJZSA-N 2 1 328.500 3.361 20 0 EGADMP C[C@@]1(O)CCC[N@@H+](CCCCCCCC[NH+]2CCC[C@](C)(O)C2)C1 ZINC000767024823 1302566651 /nfs/dbraw/zinc/56/66/51/1302566651.db2.gz AUIRDCKIZVWECU-BGYRXZFFSA-N 2 1 340.552 3.021 20 0 EGADMP C[C@@]1(O)CCC[NH+](CCCCCCCC[N@@H+]2CCC[C@](C)(O)C2)C1 ZINC000767024823 1302566663 /nfs/dbraw/zinc/56/66/63/1302566663.db2.gz AUIRDCKIZVWECU-BGYRXZFFSA-N 2 1 340.552 3.021 20 0 EGADMP C[C@@]1(O)CCC[NH+](CCCCCCCC[N@H+]2CCC[C@](C)(O)C2)C1 ZINC000767024823 1302566671 /nfs/dbraw/zinc/56/66/71/1302566671.db2.gz AUIRDCKIZVWECU-BGYRXZFFSA-N 2 1 340.552 3.021 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769516951 1303133695 /nfs/dbraw/zinc/13/36/95/1303133695.db2.gz WKVJBZLNGWEOTE-HNNXBMFYSA-N 2 1 332.517 3.390 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769516951 1303133697 /nfs/dbraw/zinc/13/36/97/1303133697.db2.gz WKVJBZLNGWEOTE-HNNXBMFYSA-N 2 1 332.517 3.390 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769516951 1303133700 /nfs/dbraw/zinc/13/37/00/1303133700.db2.gz WKVJBZLNGWEOTE-HNNXBMFYSA-N 2 1 332.517 3.390 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769516951 1303133702 /nfs/dbraw/zinc/13/37/02/1303133702.db2.gz WKVJBZLNGWEOTE-HNNXBMFYSA-N 2 1 332.517 3.390 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@H](C(=O)N(C)C)c3ccccc3)CC2)[nH+]c1C ZINC000886670509 1303550606 /nfs/dbraw/zinc/55/06/06/1303550606.db2.gz QOLVNNNOGRFOIJ-SFHVURJKSA-N 2 1 340.471 3.035 20 0 EGADMP C[C@@H](c1cccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1)[NH+]1CCOCC1 ZINC000774353018 1303801300 /nfs/dbraw/zinc/80/13/00/1303801300.db2.gz NAICAAVHDXNZBE-FAXKSRBJSA-N 2 1 329.488 3.117 20 0 EGADMP C[C@@H](c1cccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1)[NH+]1CCOCC1 ZINC000774353018 1303801303 /nfs/dbraw/zinc/80/13/03/1303801303.db2.gz NAICAAVHDXNZBE-FAXKSRBJSA-N 2 1 329.488 3.117 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(F)cc2Cl)C[C@@H]1C ZINC000774637852 1303838611 /nfs/dbraw/zinc/83/86/11/1303838611.db2.gz STBMCYJAVWTOGN-JDFRZJQESA-N 2 1 328.859 3.317 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(F)cc2Cl)C[C@@H]1C ZINC000774637852 1303838615 /nfs/dbraw/zinc/83/86/15/1303838615.db2.gz STBMCYJAVWTOGN-JDFRZJQESA-N 2 1 328.859 3.317 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc(F)cc2Cl)C[C@@H]1C ZINC000774637852 1303838618 /nfs/dbraw/zinc/83/86/18/1303838618.db2.gz STBMCYJAVWTOGN-JDFRZJQESA-N 2 1 328.859 3.317 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc(F)cc2Cl)C[C@@H]1C ZINC000774637852 1303838619 /nfs/dbraw/zinc/83/86/19/1303838619.db2.gz STBMCYJAVWTOGN-JDFRZJQESA-N 2 1 328.859 3.317 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000782183442 1304926399 /nfs/dbraw/zinc/92/63/99/1304926399.db2.gz LPRJMSYLFWBXSO-QGZVFWFLSA-N 2 1 339.524 3.050 20 0 EGADMP CCn1cc(C[NH2+]Cc2ccccc2-c2ccc(C[NH+](C)C)cc2)nn1 ZINC000892540066 1305432210 /nfs/dbraw/zinc/43/22/10/1305432210.db2.gz AVPVKGDAEJVYRY-UHFFFAOYSA-N 2 1 349.482 3.316 20 0 EGADMP FC(F)(F)Oc1cccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000892606786 1305466705 /nfs/dbraw/zinc/46/67/05/1305466705.db2.gz CYOILSGFNOIBHQ-LSDHHAIUSA-N 2 1 328.378 3.344 20 0 EGADMP COc1ccc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000787303088 1305729107 /nfs/dbraw/zinc/72/91/07/1305729107.db2.gz QQAAFTOGSGHKHS-IAGOWNOFSA-N 2 1 339.483 3.336 20 0 EGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788615266 1305982021 /nfs/dbraw/zinc/98/20/21/1305982021.db2.gz YOMZHMPMOHTOJV-SJORKVTESA-N 2 1 341.540 3.344 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788615266 1305982032 /nfs/dbraw/zinc/98/20/32/1305982032.db2.gz YOMZHMPMOHTOJV-SJORKVTESA-N 2 1 341.540 3.344 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000894021473 1306178790 /nfs/dbraw/zinc/17/87/90/1306178790.db2.gz VCMFEOPPKRULMD-SFHVURJKSA-N 2 1 326.488 3.181 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000894021473 1306178794 /nfs/dbraw/zinc/17/87/94/1306178794.db2.gz VCMFEOPPKRULMD-SFHVURJKSA-N 2 1 326.488 3.181 20 0 EGADMP CCn1cc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000894226332 1306288488 /nfs/dbraw/zinc/28/84/88/1306288488.db2.gz IZTHLWJLUXJTSS-FQEVSTJZSA-N 2 1 326.488 3.213 20 0 EGADMP CCn1cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000894226332 1306288495 /nfs/dbraw/zinc/28/84/95/1306288495.db2.gz IZTHLWJLUXJTSS-FQEVSTJZSA-N 2 1 326.488 3.213 20 0 EGADMP Cc1ncoc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000894445128 1308892151 /nfs/dbraw/zinc/89/21/51/1308892151.db2.gz NCAOJKZBIKTNSN-GUDVDZBRSA-N 2 1 325.456 3.373 20 0 EGADMP Cc1ncoc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000894445128 1308892163 /nfs/dbraw/zinc/89/21/63/1308892163.db2.gz NCAOJKZBIKTNSN-GUDVDZBRSA-N 2 1 325.456 3.373 20 0 EGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000895376714 1309305488 /nfs/dbraw/zinc/30/54/88/1309305488.db2.gz IPVLAWDOLOHSCB-IEBWSBKVSA-N 2 1 330.520 3.234 20 0 EGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000895376714 1309305499 /nfs/dbraw/zinc/30/54/99/1309305499.db2.gz IPVLAWDOLOHSCB-IEBWSBKVSA-N 2 1 330.520 3.234 20 0 EGADMP C[C@@H](OC(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793192796 1309315389 /nfs/dbraw/zinc/31/53/89/1309315389.db2.gz TURWDHVGLYIOJJ-AEFFLSMTSA-N 2 1 349.434 3.402 20 0 EGADMP CCc1onc(C)c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000895693513 1309469425 /nfs/dbraw/zinc/46/94/25/1309469425.db2.gz FLWOQHQUWUSSCW-MAUKXSAKSA-N 2 1 327.472 3.403 20 0 EGADMP CCc1onc(C)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000895693513 1309469427 /nfs/dbraw/zinc/46/94/27/1309469427.db2.gz FLWOQHQUWUSSCW-MAUKXSAKSA-N 2 1 327.472 3.403 20 0 EGADMP COc1c(C)cc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1Cl ZINC000796702632 1310066840 /nfs/dbraw/zinc/06/68/40/1310066840.db2.gz MBDAORROGKFKAJ-AWEZNQCLSA-N 2 1 340.895 3.154 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000897006827 1310132657 /nfs/dbraw/zinc/13/26/57/1310132657.db2.gz UUYPYGGNOBZTQR-MJGOQNOKSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000897006827 1310132661 /nfs/dbraw/zinc/13/26/61/1310132661.db2.gz UUYPYGGNOBZTQR-MJGOQNOKSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000897006827 1310132667 /nfs/dbraw/zinc/13/26/67/1310132667.db2.gz UUYPYGGNOBZTQR-MJGOQNOKSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCOc2cccnc2)CC1 ZINC000798184532 1310312606 /nfs/dbraw/zinc/31/26/06/1310312606.db2.gz WPLHPBKJPFASPA-UHFFFAOYSA-N 2 1 339.483 3.493 20 0 EGADMP C[C@]1(C[NH2+]Cc2cnc3ccccn23)CC[N@@H+](Cc2ccccc2)C1 ZINC000798499510 1310372921 /nfs/dbraw/zinc/37/29/21/1310372921.db2.gz XQSPCRFYEUSXFL-OAQYLSRUSA-N 2 1 334.467 3.336 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccc4c3OCCCO4)C2)CC1 ZINC000798957217 1310463958 /nfs/dbraw/zinc/46/39/58/1310463958.db2.gz OSCZQBAOTJJKTA-UHFFFAOYSA-N 2 1 330.472 3.156 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799178682 1310499689 /nfs/dbraw/zinc/49/96/89/1310499689.db2.gz CTWMFHNZVWTKKI-KRWDZBQOSA-N 2 1 329.488 3.130 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCOC23CCOCC3)cc1 ZINC000898114161 1310596870 /nfs/dbraw/zinc/59/68/70/1310596870.db2.gz ADBDZWJAFWFLJB-DNVCBOLYSA-N 2 1 341.455 3.169 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000839182176 1320888201 /nfs/dbraw/zinc/88/82/01/1320888201.db2.gz LHZQMHUHSNECLE-IRXDYDNUSA-N 2 1 341.540 3.105 20 0 EGADMP c1cc(C[N@H+]2CCCC[C@@H]2C2OCCO2)ccc1C[NH+]1CCCCC1 ZINC000839479176 1320927379 /nfs/dbraw/zinc/92/73/79/1320927379.db2.gz CCDXHAXSCZCYJP-HXUWFJFHSA-N 2 1 344.499 3.400 20 0 EGADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)N[C@@H]3CC[NH+](C(C)(C)C)C3)c2)C1 ZINC000857303681 1328527005 /nfs/dbraw/zinc/52/70/05/1328527005.db2.gz KUYOYEHQEOSONX-RTBURBONSA-N 2 1 343.515 3.098 20 0 EGADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)N[C@@H]3CC[N@@H+](C(C)(C)C)C3)c2)C1 ZINC000857303681 1328527006 /nfs/dbraw/zinc/52/70/06/1328527006.db2.gz KUYOYEHQEOSONX-RTBURBONSA-N 2 1 343.515 3.098 20 0 EGADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)N[C@@H]3CC[N@H+](C(C)(C)C)C3)c2)C1 ZINC000857303681 1328527008 /nfs/dbraw/zinc/52/70/08/1328527008.db2.gz KUYOYEHQEOSONX-RTBURBONSA-N 2 1 343.515 3.098 20 0 EGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001018966399 1316988127 /nfs/dbraw/zinc/98/81/27/1316988127.db2.gz HRTZRNQDPCZUTP-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001018971662 1316991402 /nfs/dbraw/zinc/99/14/02/1316991402.db2.gz MYMKRELIYPXXRE-ROUUACIJSA-N 2 1 343.515 3.039 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC000957284513 1317260825 /nfs/dbraw/zinc/26/08/25/1317260825.db2.gz VHXKHJICOXTRDC-HXUWFJFHSA-N 2 1 347.547 3.286 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC000957284513 1317260831 /nfs/dbraw/zinc/26/08/31/1317260831.db2.gz VHXKHJICOXTRDC-HXUWFJFHSA-N 2 1 347.547 3.286 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001019632201 1317311018 /nfs/dbraw/zinc/31/10/18/1317311018.db2.gz DUNDWEDRFTZCOG-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@H+]1CC)C1CN([C@@H](C)c2ccccc2)C1 ZINC000957420109 1317345767 /nfs/dbraw/zinc/34/57/67/1317345767.db2.gz FTBIUEPCKQOBEF-FXAWDEMLSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)=CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC000957561618 1317458590 /nfs/dbraw/zinc/45/85/90/1317458590.db2.gz WVPGQCMTDHNCAA-UHFFFAOYSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000957568565 1317467120 /nfs/dbraw/zinc/46/71/20/1317467120.db2.gz LANGSLWCSZOUFA-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000858167572 1328702004 /nfs/dbraw/zinc/70/20/04/1328702004.db2.gz VALGMKRWEKNFOL-WBVHZDCISA-N 2 1 344.503 3.130 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001020028774 1317507817 /nfs/dbraw/zinc/50/78/17/1317507817.db2.gz JIPDDNVXYCAXOF-TVFCKZIOSA-N 2 1 349.906 3.122 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001020214527 1317596223 /nfs/dbraw/zinc/59/62/23/1317596223.db2.gz VYJMSYVKZPBKSI-CGBFIWBNSA-N 2 1 343.515 3.167 20 0 EGADMP CCC[N@H+](CN1CC[C@H](C)C1=O)C1CCN(Cc2ccccc2)CC1 ZINC000902640896 1317601690 /nfs/dbraw/zinc/60/16/90/1317601690.db2.gz ORGABYQDQBGFLF-SFHVURJKSA-N 2 1 343.515 3.189 20 0 EGADMP CCC[N@@H+](CN1CC[C@H](C)C1=O)C1CCN(Cc2ccccc2)CC1 ZINC000902640896 1317601696 /nfs/dbraw/zinc/60/16/96/1317601696.db2.gz ORGABYQDQBGFLF-SFHVURJKSA-N 2 1 343.515 3.189 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1cn(C)nn1 ZINC000902747511 1317611715 /nfs/dbraw/zinc/61/17/15/1317611715.db2.gz GCAGHXBBNIKALZ-BRWVUGGUSA-N 2 1 341.503 3.144 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000957782850 1317643996 /nfs/dbraw/zinc/64/39/96/1317643996.db2.gz WLKOVJMLVQWPMN-PMACEKPBSA-N 2 1 343.515 3.156 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000957782850 1317644002 /nfs/dbraw/zinc/64/40/02/1317644002.db2.gz WLKOVJMLVQWPMN-PMACEKPBSA-N 2 1 343.515 3.156 20 0 EGADMP Fc1ccc(N2CC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903076578 1317648466 /nfs/dbraw/zinc/64/84/66/1317648466.db2.gz SGFJMULEYKMRKX-ORXZFZRUSA-N 2 1 343.490 3.399 20 0 EGADMP COc1ccccc1C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903086575 1317650402 /nfs/dbraw/zinc/65/04/02/1317650402.db2.gz PLEJJCMAZWBENG-ZNXRZULTSA-N 2 1 326.484 3.474 20 0 EGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1C ZINC000903116336 1317655445 /nfs/dbraw/zinc/65/54/45/1317655445.db2.gz HEYLFKPCQOBXJP-YNWKUBOOSA-N 2 1 330.516 3.434 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c1C ZINC000903115460 1317656391 /nfs/dbraw/zinc/65/63/91/1317656391.db2.gz NGQUYHLYVNWWHK-MYGYKHERSA-N 2 1 330.516 3.434 20 0 EGADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000903147270 1317662710 /nfs/dbraw/zinc/66/27/10/1317662710.db2.gz GMKHLQCNOYZRLW-WIKJJEKGSA-N 2 1 331.548 3.387 20 0 EGADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000903147270 1317662716 /nfs/dbraw/zinc/66/27/16/1317662716.db2.gz GMKHLQCNOYZRLW-WIKJJEKGSA-N 2 1 331.548 3.387 20 0 EGADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000903147270 1317662723 /nfs/dbraw/zinc/66/27/23/1317662723.db2.gz GMKHLQCNOYZRLW-WIKJJEKGSA-N 2 1 331.548 3.387 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000903147270 1317662730 /nfs/dbraw/zinc/66/27/30/1317662730.db2.gz GMKHLQCNOYZRLW-WIKJJEKGSA-N 3 1 331.548 3.387 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000903147270 1317662737 /nfs/dbraw/zinc/66/27/37/1317662737.db2.gz GMKHLQCNOYZRLW-WIKJJEKGSA-N 3 1 331.548 3.387 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000903147270 1317662745 /nfs/dbraw/zinc/66/27/45/1317662745.db2.gz GMKHLQCNOYZRLW-WIKJJEKGSA-N 3 1 331.548 3.387 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000903147270 1317662752 /nfs/dbraw/zinc/66/27/52/1317662752.db2.gz GMKHLQCNOYZRLW-WIKJJEKGSA-N 3 1 331.548 3.387 20 0 EGADMP C[C@@H]1C[C@H](NCc2cc(N(C)C)cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000903201951 1317673259 /nfs/dbraw/zinc/67/32/59/1317673259.db2.gz RZIPUCXLPVZJCC-IEBWSBKVSA-N 2 1 338.499 3.290 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000903201255 1317673650 /nfs/dbraw/zinc/67/36/50/1317673650.db2.gz HCGOGNFPCUUUFE-UTKZUKDTSA-N 2 1 338.499 3.148 20 0 EGADMP C[C@@H]1SCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000903733455 1317726691 /nfs/dbraw/zinc/72/66/91/1317726691.db2.gz KLALLQMBWTYVAR-WDSOQIARSA-N 2 1 346.540 3.324 20 0 EGADMP CC(C)(C)c1csc([C@@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)n1 ZINC000903890147 1317742377 /nfs/dbraw/zinc/74/23/77/1317742377.db2.gz YRDREHQQOCKTTA-UYTSQGDYSA-N 2 1 349.544 3.345 20 0 EGADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000903888944 1317742394 /nfs/dbraw/zinc/74/23/94/1317742394.db2.gz NGVSGDCGSZFFHD-MSOLQXFVSA-N 2 1 331.508 3.137 20 0 EGADMP Cc1ccc([C@H]2CCCC[N@@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903892879 1317743715 /nfs/dbraw/zinc/74/37/15/1317743715.db2.gz ODWROGKZFIRIJP-AZUAARDMSA-N 2 1 339.487 3.238 20 0 EGADMP Cc1ccc([C@H]2CCCC[N@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903892879 1317743718 /nfs/dbraw/zinc/74/37/18/1317743718.db2.gz ODWROGKZFIRIJP-AZUAARDMSA-N 2 1 339.487 3.238 20 0 EGADMP CC(C)C1CCC([NH+]2CCN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000903899708 1317744656 /nfs/dbraw/zinc/74/46/56/1317744656.db2.gz WTMSREIFLWERQI-BWQRXAFVSA-N 2 1 333.564 3.349 20 0 EGADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC000903899149 1317745342 /nfs/dbraw/zinc/74/53/42/1317745342.db2.gz SVBSPIYFUICJBS-FXAWDEMLSA-N 2 1 339.487 3.157 20 0 EGADMP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903908599 1317746642 /nfs/dbraw/zinc/74/66/42/1317746642.db2.gz LWCZHOIQJGWNAQ-DCBIUVGBSA-N 2 1 330.447 3.251 20 0 EGADMP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903913072 1317747832 /nfs/dbraw/zinc/74/78/32/1317747832.db2.gz LEOOYMZUYYYOQQ-DOVSJBTNSA-N 2 1 328.500 3.094 20 0 EGADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000903955550 1317757109 /nfs/dbraw/zinc/75/71/09/1317757109.db2.gz VIEQMLHRRSGLER-JTQLQIEISA-N 2 1 329.441 3.206 20 0 EGADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)C[C@]1(C)CCC[NH2+]C1 ZINC000904322758 1317830725 /nfs/dbraw/zinc/83/07/25/1317830725.db2.gz JGAVRFBJMGMRLV-HXUWFJFHSA-N 2 1 330.520 3.010 20 0 EGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000904404699 1317844050 /nfs/dbraw/zinc/84/40/50/1317844050.db2.gz CXLXDGLOWOLSIZ-YOEHRIQHSA-N 2 1 338.879 3.069 20 0 EGADMP [NH3+]C1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000904451242 1317849170 /nfs/dbraw/zinc/84/91/70/1317849170.db2.gz WNRGZCDERAOVBX-UHFFFAOYSA-N 2 1 336.414 3.259 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020676246 1317851918 /nfs/dbraw/zinc/85/19/18/1317851918.db2.gz YBAVITJQFUMOEI-VAMGGRTRSA-N 2 1 349.563 3.457 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020676245 1317852031 /nfs/dbraw/zinc/85/20/31/1317852031.db2.gz YBAVITJQFUMOEI-UFYCRDLUSA-N 2 1 349.563 3.457 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000809654066 1317857247 /nfs/dbraw/zinc/85/72/47/1317857247.db2.gz QIUKJNSKHAYLHT-MRXNPFEDSA-N 2 1 341.540 3.438 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000809654066 1317857254 /nfs/dbraw/zinc/85/72/54/1317857254.db2.gz QIUKJNSKHAYLHT-MRXNPFEDSA-N 2 1 341.540 3.438 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H]2[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000809718449 1317874335 /nfs/dbraw/zinc/87/43/35/1317874335.db2.gz UKRQGGOHCMPVDT-ZMSDIMECSA-N 2 1 339.524 3.094 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000809754975 1317892630 /nfs/dbraw/zinc/89/26/30/1317892630.db2.gz GGOIDDUNNBTVPL-INIZCTEOSA-N 2 1 327.513 3.050 20 0 EGADMP [NH3+][C@H](Cc1cc2ccccc2o1)c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000905310993 1317947767 /nfs/dbraw/zinc/94/77/67/1317947767.db2.gz QPKUYGQOKXVKOW-NQKGRLOXSA-N 2 1 338.411 3.056 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000810245276 1317985536 /nfs/dbraw/zinc/98/55/36/1317985536.db2.gz XXAFXZUWPHOMCS-KRWDZBQOSA-N 2 1 332.536 3.040 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000810245276 1317985542 /nfs/dbraw/zinc/98/55/42/1317985542.db2.gz XXAFXZUWPHOMCS-KRWDZBQOSA-N 2 1 332.536 3.040 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3cc[nH+]c(CO)c3)cc2)C1 ZINC000858348008 1328742321 /nfs/dbraw/zinc/74/23/21/1328742321.db2.gz CHXOQQNPSZMZQQ-MRXNPFEDSA-N 2 1 325.456 3.418 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001021274198 1318167687 /nfs/dbraw/zinc/16/76/87/1318167687.db2.gz MEVLPEKVINVYSC-IPQPSQTFSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001021274198 1318167696 /nfs/dbraw/zinc/16/76/96/1318167696.db2.gz MEVLPEKVINVYSC-IPQPSQTFSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001021274198 1318167705 /nfs/dbraw/zinc/16/77/05/1318167705.db2.gz MEVLPEKVINVYSC-IPQPSQTFSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC=C(C)C)C1 ZINC001021357705 1318209095 /nfs/dbraw/zinc/20/90/95/1318209095.db2.gz NDYXERVIGYUJLA-XUBOLADHSA-N 2 1 347.547 3.186 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC=C(C)C)C1 ZINC001021357705 1318209102 /nfs/dbraw/zinc/20/91/02/1318209102.db2.gz NDYXERVIGYUJLA-XUBOLADHSA-N 2 1 347.547 3.186 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC=C(C)C)C1 ZINC001021357705 1318209110 /nfs/dbraw/zinc/20/91/10/1318209110.db2.gz NDYXERVIGYUJLA-XUBOLADHSA-N 2 1 347.547 3.186 20 0 EGADMP O=C(C[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC001021461192 1318266170 /nfs/dbraw/zinc/26/61/70/1318266170.db2.gz BMCWJHKFLURRJT-IHWFROFDSA-N 2 1 347.547 3.164 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1cc[nH+]c(CO)c1 ZINC000858421656 1328758725 /nfs/dbraw/zinc/75/87/25/1328758725.db2.gz DSPGDASPCKUIEY-UHFFFAOYSA-N 2 1 337.423 3.411 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000960130024 1318371846 /nfs/dbraw/zinc/37/18/46/1318371846.db2.gz DJAMMRSQWWNUHY-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC000960153032 1318385987 /nfs/dbraw/zinc/38/59/87/1318385987.db2.gz NEXQFEZTBALSGK-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000960311356 1318454469 /nfs/dbraw/zinc/45/44/69/1318454469.db2.gz VWLSJORFRBHWAH-VAMGGRTRSA-N 2 1 343.515 3.031 20 0 EGADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000909387004 1318467091 /nfs/dbraw/zinc/46/70/91/1318467091.db2.gz LGTHCHCRQWEMSZ-UNMCSNQZSA-N 2 1 336.479 3.091 20 0 EGADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000909387004 1318467099 /nfs/dbraw/zinc/46/70/99/1318467099.db2.gz LGTHCHCRQWEMSZ-UNMCSNQZSA-N 2 1 336.479 3.091 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021624871 1318475788 /nfs/dbraw/zinc/47/57/88/1318475788.db2.gz ZSKMHQSSTHIWIU-PKOBYXMFSA-N 2 1 340.471 3.061 20 0 EGADMP C[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CCC(C)(C)C)CC[C@@H]32)CC1 ZINC001021666849 1318529443 /nfs/dbraw/zinc/52/94/43/1318529443.db2.gz XLOKJXKOZWOTBX-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CCN4CCCC4)C3)CC2)cc1 ZINC000813370951 1318547984 /nfs/dbraw/zinc/54/79/84/1318547984.db2.gz LWEHOXWAONLQRX-UHFFFAOYSA-N 2 1 327.516 3.070 20 0 EGADMP c1ccc(C[NH+]2CCC3(CCN(CC[NH+]4CCCC4)C3)CC2)cc1 ZINC000813370951 1318547994 /nfs/dbraw/zinc/54/79/94/1318547994.db2.gz LWEHOXWAONLQRX-UHFFFAOYSA-N 2 1 327.516 3.070 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682130 1318552391 /nfs/dbraw/zinc/55/23/91/1318552391.db2.gz NKTYUHDKCPJALH-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682130 1318552401 /nfs/dbraw/zinc/55/24/01/1318552401.db2.gz NKTYUHDKCPJALH-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP Cc1cccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC000960686885 1318793030 /nfs/dbraw/zinc/79/30/30/1318793030.db2.gz JBQUQSZYESGFNR-UXHICEINSA-N 2 1 345.531 3.004 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001022166439 1318825093 /nfs/dbraw/zinc/82/50/93/1318825093.db2.gz VYJMSYVKZPBKSI-FTEYMNFISA-N 2 1 343.515 3.167 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001022202275 1318840221 /nfs/dbraw/zinc/84/02/21/1318840221.db2.gz VKZJECGBVZOKPD-FFGOWVMKSA-N 2 1 343.515 3.247 20 0 EGADMP CCSc1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000930138463 1328795884 /nfs/dbraw/zinc/79/58/84/1328795884.db2.gz ZZIQASDQOOGPDK-HKUYNNGSSA-N 2 1 347.572 3.256 20 0 EGADMP O[C@@H]1CCC[NH+](CCCCCCCC[N@@H+]2CCC[C@H](O)CC2)CC1 ZINC000815297169 1318950710 /nfs/dbraw/zinc/95/07/10/1318950710.db2.gz RQVDMEYTWALOLJ-BGYRXZFFSA-N 2 1 340.552 3.021 20 0 EGADMP O[C@@H]1CCC[N@@H+](CCCCCCCC[NH+]2CCC[C@H](O)CC2)CC1 ZINC000815297169 1318950720 /nfs/dbraw/zinc/95/07/20/1318950720.db2.gz RQVDMEYTWALOLJ-BGYRXZFFSA-N 2 1 340.552 3.021 20 0 EGADMP O[C@@H]1CCC[N@H+](CCCCCCCC[NH+]2CCC[C@H](O)CC2)CC1 ZINC000815297169 1318950729 /nfs/dbraw/zinc/95/07/29/1318950729.db2.gz RQVDMEYTWALOLJ-BGYRXZFFSA-N 2 1 340.552 3.021 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2C[NH+](C)CC2CCCCCC2)C1 ZINC000960859986 1319004677 /nfs/dbraw/zinc/00/46/77/1319004677.db2.gz CXRGMWUZHLIWNG-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@H]2C[N@H+](C)CC2CCCCCC2)C1 ZINC000960859986 1319004684 /nfs/dbraw/zinc/00/46/84/1319004684.db2.gz CXRGMWUZHLIWNG-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCCCCC2)C1 ZINC000960859986 1319004693 /nfs/dbraw/zinc/00/46/93/1319004693.db2.gz CXRGMWUZHLIWNG-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C)cc1C)[NH+](C)C ZINC000960864166 1319009082 /nfs/dbraw/zinc/00/90/82/1319009082.db2.gz FTXSNRWUJFDQSH-PMACEKPBSA-N 2 1 345.531 3.066 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815577946 1319019399 /nfs/dbraw/zinc/01/93/99/1319019399.db2.gz DIAMHIPRITVTTB-HOTGVXAUSA-N 2 1 331.460 3.026 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815584175 1319021397 /nfs/dbraw/zinc/02/13/97/1319021397.db2.gz XMYZEDVYBJJLDM-YQQAZPJKSA-N 2 1 331.460 3.167 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815584175 1319021404 /nfs/dbraw/zinc/02/14/04/1319021404.db2.gz XMYZEDVYBJJLDM-YQQAZPJKSA-N 2 1 331.460 3.167 20 0 EGADMP CSc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+](C)C)cc1 ZINC000815659697 1319039689 /nfs/dbraw/zinc/03/96/89/1319039689.db2.gz INAYYERGVJBANL-RGPMPMONSA-N 2 1 333.545 3.226 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCC1 ZINC000960975395 1319108927 /nfs/dbraw/zinc/10/89/27/1319108927.db2.gz VLQQPOXTAXAZCY-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC000960975395 1319108934 /nfs/dbraw/zinc/10/89/34/1319108934.db2.gz VLQQPOXTAXAZCY-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC000960975395 1319108937 /nfs/dbraw/zinc/10/89/37/1319108937.db2.gz VLQQPOXTAXAZCY-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1)CC1CCCCCC1 ZINC000960979138 1319112522 /nfs/dbraw/zinc/11/25/22/1319112522.db2.gz OURBHIPKHRNFQT-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1)CC1CCCCCC1 ZINC000960979138 1319112529 /nfs/dbraw/zinc/11/25/29/1319112529.db2.gz OURBHIPKHRNFQT-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1)CC1CCCCCC1 ZINC000960979138 1319112533 /nfs/dbraw/zinc/11/25/33/1319112533.db2.gz OURBHIPKHRNFQT-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001023130896 1319275219 /nfs/dbraw/zinc/27/52/19/1319275219.db2.gz LHKCTPNYAPRBSJ-OTWHNJEPSA-N 2 1 335.536 3.068 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001023128947 1319275824 /nfs/dbraw/zinc/27/58/24/1319275824.db2.gz ZWXXLVWYQHCWKG-RSPOEFSDSA-N 2 1 343.515 3.167 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961288485 1319447105 /nfs/dbraw/zinc/44/71/05/1319447105.db2.gz WZOYARNXMHTKKZ-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000817906216 1319456697 /nfs/dbraw/zinc/45/66/97/1319456697.db2.gz YMNVMAMPKCYPEV-SSKFGXFMSA-N 2 1 334.463 3.421 20 0 EGADMP Cc1cc(Cl)nc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000817933171 1319464662 /nfs/dbraw/zinc/46/46/62/1319464662.db2.gz YYDUWDUEHRESRR-QFBILLFUSA-N 2 1 343.858 3.389 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000817948891 1319473647 /nfs/dbraw/zinc/47/36/47/1319473647.db2.gz LZYRPGWZTHCLGW-XMSQKQJNSA-N 3 1 337.511 3.188 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023364620 1319475607 /nfs/dbraw/zinc/47/56/07/1319475607.db2.gz NBGHBSUIAXODLV-IEBWSBKVSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001023364620 1319475614 /nfs/dbraw/zinc/47/56/14/1319475614.db2.gz NBGHBSUIAXODLV-IEBWSBKVSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001023364620 1319475617 /nfs/dbraw/zinc/47/56/17/1319475617.db2.gz NBGHBSUIAXODLV-IEBWSBKVSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023370680 1319482344 /nfs/dbraw/zinc/48/23/44/1319482344.db2.gz MUUBOQIWKHFORG-OALUTQOASA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023370680 1319482349 /nfs/dbraw/zinc/48/23/49/1319482349.db2.gz MUUBOQIWKHFORG-OALUTQOASA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023370680 1319482353 /nfs/dbraw/zinc/48/23/53/1319482353.db2.gz MUUBOQIWKHFORG-OALUTQOASA-N 2 1 349.563 3.269 20 0 EGADMP COc1cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)ccc1SC(F)F ZINC000817981848 1319485228 /nfs/dbraw/zinc/48/52/28/1319485228.db2.gz VVDYFHBNYRDRLI-AAEUAGOBSA-N 2 1 346.443 3.039 20 0 EGADMP FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000817981467 1319485307 /nfs/dbraw/zinc/48/53/07/1319485307.db2.gz KPJHPRRWQZESPP-BBRMVZONSA-N 2 1 342.455 3.347 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001023395158 1319501061 /nfs/dbraw/zinc/50/10/61/1319501061.db2.gz BNOKDKAEJRBAAB-MRXNPFEDSA-N 2 1 349.544 3.052 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC(CC)CC)C1 ZINC001023402985 1319510652 /nfs/dbraw/zinc/51/06/52/1319510652.db2.gz XXTDEEGKUIZLSQ-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(CC)CC)C1 ZINC001023402985 1319510661 /nfs/dbraw/zinc/51/06/61/1319510661.db2.gz XXTDEEGKUIZLSQ-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(CC)CC)C1 ZINC001023402985 1319510671 /nfs/dbraw/zinc/51/06/71/1319510671.db2.gz XXTDEEGKUIZLSQ-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000818187096 1319513434 /nfs/dbraw/zinc/51/34/34/1319513434.db2.gz RVBFSMPMOAPWAL-CYBMUJFWSA-N 2 1 335.423 3.048 20 0 EGADMP Cc1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)sc2nc(C)nc(C)c12 ZINC000915681875 1319519230 /nfs/dbraw/zinc/51/92/30/1319519230.db2.gz GNBOQJUMGWSYDC-GJZGRUSLSA-N 2 1 330.501 3.333 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023450525 1319551197 /nfs/dbraw/zinc/55/11/97/1319551197.db2.gz GYLWDYKYPGDWHT-SFHVURJKSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000961401254 1319556200 /nfs/dbraw/zinc/55/62/00/1319556200.db2.gz CUEKKMWVUKRBRX-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC000961401254 1319556207 /nfs/dbraw/zinc/55/62/07/1319556207.db2.gz CUEKKMWVUKRBRX-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000961401254 1319556217 /nfs/dbraw/zinc/55/62/17/1319556217.db2.gz CUEKKMWVUKRBRX-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC000961418573 1319576162 /nfs/dbraw/zinc/57/61/62/1319576162.db2.gz CFEJXEKULMJIIZ-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC000961418573 1319576171 /nfs/dbraw/zinc/57/61/71/1319576171.db2.gz CFEJXEKULMJIIZ-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC000961418573 1319576177 /nfs/dbraw/zinc/57/61/77/1319576177.db2.gz CFEJXEKULMJIIZ-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](CCC[NH2+]C[C@H](O)c1cccc(Cl)c1)Cc1ccccc1 ZINC000818943013 1319582642 /nfs/dbraw/zinc/58/26/42/1319582642.db2.gz OAYSNZKKMNWPTH-IBGZPJMESA-N 2 1 332.875 3.485 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000818964965 1319594913 /nfs/dbraw/zinc/59/49/13/1319594913.db2.gz AUEIHFCUCAPVTN-MEDUHNTESA-N 2 1 342.270 3.458 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000818965025 1319595736 /nfs/dbraw/zinc/59/57/36/1319595736.db2.gz CBFZNVKHSIKXSL-WBMJQRKESA-N 2 1 341.377 3.170 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2c(F)cccc2F)c1 ZINC000818971414 1319599274 /nfs/dbraw/zinc/59/92/74/1319599274.db2.gz WEMADDOJWAMVBX-SFHVURJKSA-N 2 1 334.410 3.240 20 0 EGADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000818988129 1319607255 /nfs/dbraw/zinc/60/72/55/1319607255.db2.gz KXAGVVJWQIYGKA-HNAYVOBHSA-N 2 1 348.487 3.422 20 0 EGADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000818988129 1319607267 /nfs/dbraw/zinc/60/72/67/1319607267.db2.gz KXAGVVJWQIYGKA-HNAYVOBHSA-N 2 1 348.487 3.422 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000819182151 1319659313 /nfs/dbraw/zinc/65/93/13/1319659313.db2.gz JIMCTHOHQCCGGW-KBXCAEBGSA-N 2 1 342.886 3.470 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000819348017 1319705409 /nfs/dbraw/zinc/70/54/09/1319705409.db2.gz FKSDPECAGITDTC-CVEARBPZSA-N 2 1 345.314 3.043 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000819348017 1319705416 /nfs/dbraw/zinc/70/54/16/1319705416.db2.gz FKSDPECAGITDTC-CVEARBPZSA-N 2 1 345.314 3.043 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000819366003 1319710317 /nfs/dbraw/zinc/71/03/17/1319710317.db2.gz GMQCIODVXKDUAR-BLLLJJGKSA-N 2 1 331.287 3.348 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]CC3CCCCCC3)C2)CC[N@H+]1C ZINC000961854367 1319747610 /nfs/dbraw/zinc/74/76/10/1319747610.db2.gz DKIISPPWYPCQIZ-GHBBCFCZSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763644 1319910189 /nfs/dbraw/zinc/91/01/89/1319910189.db2.gz VQWIWDKZTBYVKY-SFHVURJKSA-N 2 1 343.515 3.156 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000823630699 1320193385 /nfs/dbraw/zinc/19/33/85/1320193385.db2.gz RYBQXSGADGKAGP-IAGOWNOFSA-N 2 1 341.540 3.342 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000823709179 1320199097 /nfs/dbraw/zinc/19/90/97/1320199097.db2.gz AQASOTZGHSKVBS-UHFFFAOYSA-N 2 1 325.416 3.166 20 0 EGADMP [NH3+]CCc1ccc(C[NH2+]Cc2cc(F)ccc2Br)cc1 ZINC000841032578 1321204246 /nfs/dbraw/zinc/20/42/46/1321204246.db2.gz UAURFJTUOABCSV-UHFFFAOYSA-N 2 1 337.236 3.379 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)[C@@H]2CCc3ccccc3NC2=O)cc1 ZINC000859213322 1328947344 /nfs/dbraw/zinc/94/73/44/1328947344.db2.gz VKJUJSJJCORNNJ-HXUWFJFHSA-N 2 1 337.467 3.134 20 0 EGADMP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215118 1328948464 /nfs/dbraw/zinc/94/84/64/1328948464.db2.gz ZQEKGIBOPRPUEX-KZNAEPCWSA-N 2 1 345.531 3.358 20 0 EGADMP C[N@@H+](CCCCCCC[NH3+])[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000842473017 1321393770 /nfs/dbraw/zinc/39/37/70/1321393770.db2.gz MDEZUGFWFQWMNC-KRWDZBQOSA-N 2 1 337.895 3.286 20 0 EGADMP CCOc1c(Cl)cc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000843055675 1321462955 /nfs/dbraw/zinc/46/29/55/1321462955.db2.gz KJGCPSYILDQGNB-UHFFFAOYSA-N 2 1 326.868 3.449 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(SC(F)F)cc2)CC12CCOCC2 ZINC000843124852 1321473618 /nfs/dbraw/zinc/47/36/18/1321473618.db2.gz JKFFDKGXABVDIB-AWEZNQCLSA-N 2 1 342.455 3.189 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354594 1321504768 /nfs/dbraw/zinc/50/47/68/1321504768.db2.gz DTOMBRJXFUHSDG-UHFFFAOYSA-N 2 1 332.469 3.390 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)c2cc1C(C)C ZINC000843363048 1321506942 /nfs/dbraw/zinc/50/69/42/1321506942.db2.gz YDDYBYCWGKFBPY-CABCVRRESA-N 2 1 328.456 3.394 20 0 EGADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc2ccccc2c1 ZINC000843387082 1321509252 /nfs/dbraw/zinc/50/92/52/1321509252.db2.gz DUPJHNUMJLNQTE-RBUKOAKNSA-N 2 1 337.467 3.100 20 0 EGADMP C[N@@H+](Cc1cc(Br)cnc1Cl)CC1CC[NH+](C)CC1 ZINC000843393405 1321511008 /nfs/dbraw/zinc/51/10/08/1321511008.db2.gz CMPVGNBJPGONHD-UHFFFAOYSA-N 2 1 346.700 3.271 20 0 EGADMP C[N@H+](Cc1cc(Br)cnc1Cl)CC1CC[NH+](C)CC1 ZINC000843393405 1321511009 /nfs/dbraw/zinc/51/10/09/1321511009.db2.gz CMPVGNBJPGONHD-UHFFFAOYSA-N 2 1 346.700 3.271 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845969866 1321759892 /nfs/dbraw/zinc/75/98/92/1321759892.db2.gz IFNUBPSTWCIEGN-JCYILVPMSA-N 2 1 339.524 3.144 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845969866 1321759896 /nfs/dbraw/zinc/75/98/96/1321759896.db2.gz IFNUBPSTWCIEGN-JCYILVPMSA-N 2 1 339.524 3.144 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000846222616 1321777204 /nfs/dbraw/zinc/77/72/04/1321777204.db2.gz WKGTUIQRGCVZCT-NRFANRHFSA-N 3 1 329.532 3.494 20 0 EGADMP [NH3+]CCCCCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000846222616 1321777206 /nfs/dbraw/zinc/77/72/06/1321777206.db2.gz WKGTUIQRGCVZCT-NRFANRHFSA-N 3 1 329.532 3.494 20 0 EGADMP [NH3+]CCCCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000846222616 1321777207 /nfs/dbraw/zinc/77/72/07/1321777207.db2.gz WKGTUIQRGCVZCT-NRFANRHFSA-N 3 1 329.532 3.494 20 0 EGADMP [NH3+]CCCCCC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000846222616 1321777209 /nfs/dbraw/zinc/77/72/09/1321777209.db2.gz WKGTUIQRGCVZCT-NRFANRHFSA-N 2 1 329.532 3.494 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000846222616 1321777213 /nfs/dbraw/zinc/77/72/13/1321777213.db2.gz WKGTUIQRGCVZCT-NRFANRHFSA-N 2 1 329.532 3.494 20 0 EGADMP CC1(C)CCC[N@H+]1CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000849117051 1322085342 /nfs/dbraw/zinc/08/53/42/1322085342.db2.gz RIHDTTALZFPBHV-UHFFFAOYSA-N 2 1 344.381 3.396 20 0 EGADMP CS[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000921496534 1322329065 /nfs/dbraw/zinc/32/90/65/1322329065.db2.gz WDYXRYCNNZJWKP-OALUTQOASA-N 2 1 334.529 3.283 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+]CCCO[C@H]3CCCCO3)CC2)cc1 ZINC000922233861 1322484624 /nfs/dbraw/zinc/48/46/24/1322484624.db2.gz RZGISSHCKHLZBC-NRFANRHFSA-N 2 1 346.515 3.216 20 0 EGADMP [NH3+]CC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000923487990 1322760480 /nfs/dbraw/zinc/76/04/80/1322760480.db2.gz OUUOTGGQUNFDBT-QGZVFWFLSA-N 2 1 337.467 3.353 20 0 EGADMP CC(C)(C)C[C@@H](NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923493033 1322761329 /nfs/dbraw/zinc/76/13/29/1322761329.db2.gz QERJFKCYSJOMGW-MAUKXSAKSA-N 2 1 349.494 3.090 20 0 EGADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000923491706 1322761348 /nfs/dbraw/zinc/76/13/48/1322761348.db2.gz MEFPILXYAZOUNZ-LAUBAEHRSA-N 2 1 343.515 3.095 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)C1 ZINC000924689042 1323113295 /nfs/dbraw/zinc/11/32/95/1323113295.db2.gz WGZGNXJWDDZCCZ-YZGWKJHDSA-N 2 1 332.536 3.233 20 0 EGADMP CC1(C)OC[C@@H](CC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)O1 ZINC000852039640 1323136858 /nfs/dbraw/zinc/13/68/58/1323136858.db2.gz HJOQLFTWYWHIOD-TZIWHRDSSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@@H](CC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)O1 ZINC000852039640 1323136863 /nfs/dbraw/zinc/13/68/63/1323136863.db2.gz HJOQLFTWYWHIOD-TZIWHRDSSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@@H](CC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)O1 ZINC000852039640 1323136870 /nfs/dbraw/zinc/13/68/70/1323136870.db2.gz HJOQLFTWYWHIOD-TZIWHRDSSA-N 2 1 344.499 3.126 20 0 EGADMP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000852604344 1323214712 /nfs/dbraw/zinc/21/47/12/1323214712.db2.gz QBIUVTAVTDRWGO-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000852604344 1323214720 /nfs/dbraw/zinc/21/47/20/1323214720.db2.gz QBIUVTAVTDRWGO-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000852604344 1323214729 /nfs/dbraw/zinc/21/47/29/1323214729.db2.gz QBIUVTAVTDRWGO-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000852604344 1323214739 /nfs/dbraw/zinc/21/47/39/1323214739.db2.gz QBIUVTAVTDRWGO-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@](O)(C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000925036598 1323252087 /nfs/dbraw/zinc/25/20/87/1323252087.db2.gz GKSDLSUNFJRFBF-OTYNDTSQSA-N 2 1 328.500 3.323 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024278725 1323256320 /nfs/dbraw/zinc/25/63/20/1323256320.db2.gz SGWLWIBJLRXPPY-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc2ccccc2[nH]1 ZINC000925057958 1323259837 /nfs/dbraw/zinc/25/98/37/1323259837.db2.gz WCASIXOFPVHHTE-YJBOKZPZSA-N 2 1 327.472 3.462 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024462637 1323417000 /nfs/dbraw/zinc/41/70/00/1323417000.db2.gz SUUJFBPJGRTCLF-KRWDZBQOSA-N 2 1 349.544 3.360 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024462637 1323417003 /nfs/dbraw/zinc/41/70/03/1323417003.db2.gz SUUJFBPJGRTCLF-KRWDZBQOSA-N 2 1 349.544 3.360 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024469650 1323424537 /nfs/dbraw/zinc/42/45/37/1323424537.db2.gz VGPOFGTWWFFLLM-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001024469650 1323424541 /nfs/dbraw/zinc/42/45/41/1323424541.db2.gz VGPOFGTWWFFLLM-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC(C)(C)C1 ZINC001024469650 1323424548 /nfs/dbraw/zinc/42/45/48/1323424548.db2.gz VGPOFGTWWFFLLM-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001024624598 1323552263 /nfs/dbraw/zinc/55/22/63/1323552263.db2.gz VVFHBSHWSVDJAW-GOSISDBHSA-N 2 1 349.519 3.362 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001024624598 1323552266 /nfs/dbraw/zinc/55/22/66/1323552266.db2.gz VVFHBSHWSVDJAW-GOSISDBHSA-N 2 1 349.519 3.362 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024812626 1323716314 /nfs/dbraw/zinc/71/63/14/1323716314.db2.gz QGFFWXFCYMZDOG-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC001024812626 1323716319 /nfs/dbraw/zinc/71/63/19/1323716319.db2.gz QGFFWXFCYMZDOG-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCC1CCC1 ZINC001024812626 1323716322 /nfs/dbraw/zinc/71/63/22/1323716322.db2.gz QGFFWXFCYMZDOG-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCCC[N@@H+]1C/C=C\Cl ZINC001024814409 1323718590 /nfs/dbraw/zinc/71/85/90/1323718590.db2.gz SPUVOXUVYJKFHM-GJBHZFNWSA-N 2 1 349.906 3.085 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCCC[N@H+]1C/C=C\Cl ZINC001024814409 1323718595 /nfs/dbraw/zinc/71/85/95/1323718595.db2.gz SPUVOXUVYJKFHM-GJBHZFNWSA-N 2 1 349.906 3.085 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001024979768 1323812256 /nfs/dbraw/zinc/81/22/56/1323812256.db2.gz YISWUFSRFOFGMP-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1ccc(-c2nnc([C@H](C)N3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)o2)cc1C ZINC000931435760 1329116929 /nfs/dbraw/zinc/11/69/29/1329116929.db2.gz NPDAZYXIHCILHS-RYQLBKOJSA-N 2 1 340.471 3.298 20 0 EGADMP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)o2)cc1C ZINC000931435760 1329116933 /nfs/dbraw/zinc/11/69/33/1329116933.db2.gz NPDAZYXIHCILHS-RYQLBKOJSA-N 2 1 340.471 3.298 20 0 EGADMP Cc1ccc(-c2nnc([C@H](C)[N@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)o2)cc1C ZINC000931435760 1329116937 /nfs/dbraw/zinc/11/69/37/1329116937.db2.gz NPDAZYXIHCILHS-RYQLBKOJSA-N 2 1 340.471 3.298 20 0 EGADMP Cc1ccc(-c2nnc([C@H](C)[NH+]3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)o2)cc1C ZINC000931435760 1329116939 /nfs/dbraw/zinc/11/69/39/1329116939.db2.gz NPDAZYXIHCILHS-RYQLBKOJSA-N 2 1 340.471 3.298 20 0 EGADMP Cc1ccc(-c2nnc([C@H](C)[NH+]3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)o2)cc1C ZINC000931435760 1329116942 /nfs/dbraw/zinc/11/69/42/1329116942.db2.gz NPDAZYXIHCILHS-RYQLBKOJSA-N 2 1 340.471 3.298 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001025168396 1323936676 /nfs/dbraw/zinc/93/66/76/1323936676.db2.gz BXKLHYANEPDHCR-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)(C(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+]1CC1CC1)[NH+]1CCCC1 ZINC001025257516 1324064474 /nfs/dbraw/zinc/06/44/74/1324064474.db2.gz DXUHQNFMFQOTPN-RTBURBONSA-N 2 1 347.547 3.116 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+]1CCC(C)C ZINC001025297600 1324130683 /nfs/dbraw/zinc/13/06/83/1324130683.db2.gz YYRCEPSLXHXOAU-MOPGFXCFSA-N 2 1 346.519 3.083 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CCC(C)C ZINC001025297600 1324130689 /nfs/dbraw/zinc/13/06/89/1324130689.db2.gz YYRCEPSLXHXOAU-MOPGFXCFSA-N 2 1 346.519 3.083 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470402 1324314506 /nfs/dbraw/zinc/31/45/06/1324314506.db2.gz XCLPCIDQUNDPSF-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025485493 1324334462 /nfs/dbraw/zinc/33/44/62/1324334462.db2.gz NVUNJDMHYPZPIH-IAGOWNOFSA-N 2 1 340.471 3.131 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026492298 1324846178 /nfs/dbraw/zinc/84/61/78/1324846178.db2.gz IKEYHMLXYNNTCB-CTWPCTMYSA-N 2 1 335.536 3.066 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC2CCC([NH2+]CCC3CCCCCC3)CC2)C1 ZINC001026605139 1324927662 /nfs/dbraw/zinc/92/76/62/1324927662.db2.gz FFCIUMNNOBEQSO-HDYDNRTBSA-N 2 1 349.563 3.316 20 0 EGADMP CCON1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000925135924 1325060689 /nfs/dbraw/zinc/06/06/89/1325060689.db2.gz MDJAJYBLOKUAKW-YJBOKZPZSA-N 2 1 337.533 3.137 20 0 EGADMP CCON1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000925135924 1325060696 /nfs/dbraw/zinc/06/06/96/1325060696.db2.gz MDJAJYBLOKUAKW-YJBOKZPZSA-N 2 1 337.533 3.137 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000963307515 1325089174 /nfs/dbraw/zinc/08/91/74/1325089174.db2.gz YXGVFDQKDRWANE-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000925308856 1325119380 /nfs/dbraw/zinc/11/93/80/1325119380.db2.gz SPNUYRNTPHTKQH-KUHUBIRLSA-N 2 1 349.494 3.244 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cnn1-c1ccc(F)cc1 ZINC000925510912 1325184436 /nfs/dbraw/zinc/18/44/36/1325184436.db2.gz BVGCTXYKFVVSCQ-IGNZVWTISA-N 2 1 328.435 3.240 20 0 EGADMP C[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cccc(C[NH+](C)C)c1 ZINC000925518065 1325187094 /nfs/dbraw/zinc/18/70/94/1325187094.db2.gz CYNCKLIQTDCQNP-INIZCTEOSA-N 2 1 335.455 3.180 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](CN[C@@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925522057 1325188654 /nfs/dbraw/zinc/18/86/54/1325188654.db2.gz QMQDWLVOGFMHHD-VQTJNVASSA-N 2 1 327.516 3.163 20 0 EGADMP Cc1nc(-c2ccc(CC[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)s2)cs1 ZINC000925522590 1325190004 /nfs/dbraw/zinc/19/00/04/1325190004.db2.gz HEWZOSJFDSAKPR-QHEVRDBASA-N 2 1 345.537 3.309 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c(N2CCCC2)n1 ZINC000925611000 1325229258 /nfs/dbraw/zinc/22/92/58/1325229258.db2.gz KIZORTWJRAHSIR-WOJBJXKFSA-N 2 1 342.531 3.248 20 0 EGADMP C[C@H]1[NH2+]CCC[C@@H]1NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000925621546 1325235492 /nfs/dbraw/zinc/23/54/92/1325235492.db2.gz FBYYGMRKVVJHQH-UZLBHIALSA-N 2 1 327.472 3.142 20 0 EGADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CCO2 ZINC000925645108 1325245533 /nfs/dbraw/zinc/24/55/33/1325245533.db2.gz PRJILKHTVRPWDQ-SKWUIDRYSA-N 2 1 330.472 3.275 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000925843796 1325325575 /nfs/dbraw/zinc/32/55/75/1325325575.db2.gz PGIPLHSJWPYFLY-GFOJFJKKSA-N 2 1 327.516 3.161 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC[N@@H+]1Cc1ccccc1 ZINC000925843796 1325325585 /nfs/dbraw/zinc/32/55/85/1325325585.db2.gz PGIPLHSJWPYFLY-GFOJFJKKSA-N 3 1 327.516 3.161 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000925843796 1325325594 /nfs/dbraw/zinc/32/55/94/1325325594.db2.gz PGIPLHSJWPYFLY-GFOJFJKKSA-N 3 1 327.516 3.161 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CCN1Cc1ccccc1 ZINC000925843796 1325325602 /nfs/dbraw/zinc/32/56/02/1325325602.db2.gz PGIPLHSJWPYFLY-GFOJFJKKSA-N 2 1 327.516 3.161 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C2CCC([NH2+]CC3CCCC3)CC2)CC[N@H+]1C ZINC000963838397 1325407688 /nfs/dbraw/zinc/40/76/88/1325407688.db2.gz XLQDWERIDXREJW-YUKKFIBKSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000926302816 1325509356 /nfs/dbraw/zinc/50/93/56/1325509356.db2.gz GGDVTBJXENUQDL-INIZCTEOSA-N 2 1 335.455 3.180 20 0 EGADMP CC[C@H](Cc1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926675474 1327661684 /nfs/dbraw/zinc/66/16/84/1327661684.db2.gz ACDWTDANVKMBHG-XUBOLADHSA-N 2 1 334.479 3.378 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC2CCCC2)C1 ZINC001027433277 1327670920 /nfs/dbraw/zinc/67/09/20/1327670920.db2.gz VXFBVVCIOZIALJ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027433277 1327670926 /nfs/dbraw/zinc/67/09/26/1327670926.db2.gz VXFBVVCIOZIALJ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027433277 1327670934 /nfs/dbraw/zinc/67/09/34/1327670934.db2.gz VXFBVVCIOZIALJ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2c(C)cccc2C)C1)[NH+](C)C ZINC001027462710 1327711379 /nfs/dbraw/zinc/71/13/79/1327711379.db2.gz BDUUEFNDFCNGAK-AZUAARDMSA-N 2 1 345.531 3.066 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027519568 1327792368 /nfs/dbraw/zinc/79/23/68/1327792368.db2.gz QGIQNHHNZWVQJN-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCC2)C1 ZINC001027602143 1327953886 /nfs/dbraw/zinc/95/38/86/1327953886.db2.gz MDBWADLJTMJCOL-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC001027602143 1327953895 /nfs/dbraw/zinc/95/38/95/1327953895.db2.gz MDBWADLJTMJCOL-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027602143 1327953905 /nfs/dbraw/zinc/95/39/05/1327953905.db2.gz MDBWADLJTMJCOL-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC2CC2)C1 ZINC001027648778 1328029174 /nfs/dbraw/zinc/02/91/74/1328029174.db2.gz ZPTWVCYCHDKHQE-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1 ZINC001027648778 1328029179 /nfs/dbraw/zinc/02/91/79/1328029179.db2.gz ZPTWVCYCHDKHQE-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC001027648778 1328029189 /nfs/dbraw/zinc/02/91/89/1328029189.db2.gz ZPTWVCYCHDKHQE-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027651147 1328032455 /nfs/dbraw/zinc/03/24/55/1328032455.db2.gz LPCOIVIHYXGJSM-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001027651147 1328032460 /nfs/dbraw/zinc/03/24/60/1328032460.db2.gz LPCOIVIHYXGJSM-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001027651147 1328032462 /nfs/dbraw/zinc/03/24/62/1328032462.db2.gz LPCOIVIHYXGJSM-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCC2CCCCC2)CC[N@H+]1C ZINC001027893141 1328357923 /nfs/dbraw/zinc/35/79/23/1328357923.db2.gz NVTPDWVBMBPMRE-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCC2CCCCC2)CC[NH+]1C ZINC001027893141 1328357930 /nfs/dbraw/zinc/35/79/30/1328357930.db2.gz NVTPDWVBMBPMRE-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCC2CCCCC2)CC[NH+]1C ZINC001027893141 1328357939 /nfs/dbraw/zinc/35/79/39/1328357939.db2.gz NVTPDWVBMBPMRE-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CC2CCC(C)(C)CC2)CC[N@H+]1C ZINC001027895386 1328360252 /nfs/dbraw/zinc/36/02/52/1328360252.db2.gz WPTAIUONOXDVEG-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC2CCC(C)(C)CC2)CC[NH+]1C ZINC001027895386 1328360260 /nfs/dbraw/zinc/36/02/60/1328360260.db2.gz WPTAIUONOXDVEG-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC2CCC(C)(C)CC2)CC[NH+]1C ZINC001027895386 1328360267 /nfs/dbraw/zinc/36/02/67/1328360267.db2.gz WPTAIUONOXDVEG-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)C12CCC[NH+](CCC1)C2 ZINC001027963562 1328434494 /nfs/dbraw/zinc/43/44/94/1328434494.db2.gz AVZAODLBULLFNU-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP C[C@H](C[N@@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C1CCCCC1 ZINC000863315259 1329545807 /nfs/dbraw/zinc/54/58/07/1329545807.db2.gz QTNCYPMJFVKABJ-OXQOHEQNSA-N 2 1 349.519 3.009 20 0 EGADMP O=C(c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1)N1CCCC1 ZINC000865434697 1329696940 /nfs/dbraw/zinc/69/69/40/1329696940.db2.gz QNKTXTMYGZFACC-UHFFFAOYSA-N 2 1 341.499 3.029 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)o2)C[C@@H]1C ZINC000933368095 1329883418 /nfs/dbraw/zinc/88/34/18/1329883418.db2.gz IPRPOENIYVGNKF-DLBZAZTESA-N 2 1 347.503 3.210 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000933455299 1329890565 /nfs/dbraw/zinc/89/05/65/1329890565.db2.gz DCAMTCZURZERPB-NUJGCVRESA-N 2 1 349.544 3.120 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000933455299 1329890566 /nfs/dbraw/zinc/89/05/66/1329890566.db2.gz DCAMTCZURZERPB-NUJGCVRESA-N 2 1 349.544 3.120 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000933455299 1329890567 /nfs/dbraw/zinc/89/05/67/1329890567.db2.gz DCAMTCZURZERPB-NUJGCVRESA-N 2 1 349.544 3.120 20 0 EGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000933624619 1329907117 /nfs/dbraw/zinc/90/71/17/1329907117.db2.gz YBFPQJTVRUEFHG-QGZVFWFLSA-N 2 1 347.503 3.212 20 0 EGADMP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccn1 ZINC000866336857 1330097992 /nfs/dbraw/zinc/09/79/92/1330097992.db2.gz NUNZIMFDWOHPLY-FPOVZHCZSA-N 2 1 339.483 3.135 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000866466976 1330116033 /nfs/dbraw/zinc/11/60/33/1330116033.db2.gz QGYFMUKGXBLUBK-LUKYLMHMSA-N 2 1 339.524 3.142 20 0 EGADMP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000866665891 1330139094 /nfs/dbraw/zinc/13/90/94/1330139094.db2.gz JZANIFNEZGCHAC-ZBFHGGJFSA-N 2 1 349.906 3.297 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2c(Cl)cncc2Cl)C1 ZINC000866668473 1330139625 /nfs/dbraw/zinc/13/96/25/1330139625.db2.gz DONGRDRCNTUWEL-RLCCDNCMSA-N 2 1 344.286 3.249 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2c(Cl)cncc2Cl)C1 ZINC000866668473 1330139626 /nfs/dbraw/zinc/13/96/26/1330139626.db2.gz DONGRDRCNTUWEL-RLCCDNCMSA-N 2 1 344.286 3.249 20 0 EGADMP COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)co1 ZINC000866666111 1330139768 /nfs/dbraw/zinc/13/97/68/1330139768.db2.gz NVGAAOOUCXXHGR-HZPDHXFCSA-N 2 1 341.455 3.172 20 0 EGADMP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1[NH2+]CC1CCCCCC1 ZINC000939542293 1330455259 /nfs/dbraw/zinc/45/52/59/1330455259.db2.gz VTLFIYNBUAMUSW-NVXWUHKLSA-N 2 1 346.519 3.094 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCCCC3)CC2(C)C)CC1 ZINC000940994786 1331288654 /nfs/dbraw/zinc/28/86/54/1331288654.db2.gz YXSJKNGITKWFEV-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941064199 1331316058 /nfs/dbraw/zinc/31/60/58/1331316058.db2.gz LOHUIOXBXFIBFA-SJORKVTESA-N 2 1 348.535 3.269 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941064199 1331316062 /nfs/dbraw/zinc/31/60/62/1331316062.db2.gz LOHUIOXBXFIBFA-SJORKVTESA-N 2 1 348.535 3.269 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941064198 1331316453 /nfs/dbraw/zinc/31/64/53/1331316453.db2.gz LOHUIOXBXFIBFA-IRXDYDNUSA-N 2 1 348.535 3.269 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941064198 1331316455 /nfs/dbraw/zinc/31/64/55/1331316455.db2.gz LOHUIOXBXFIBFA-IRXDYDNUSA-N 2 1 348.535 3.269 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941093890 1331329541 /nfs/dbraw/zinc/32/95/41/1331329541.db2.gz UTUPFCBVFIIWBY-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCC2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821663 1332042120 /nfs/dbraw/zinc/04/21/20/1332042120.db2.gz GAJZFSQDIMXOSI-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCC2)CC[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821663 1332042121 /nfs/dbraw/zinc/04/21/21/1332042121.db2.gz GAJZFSQDIMXOSI-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCC2)CC[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821663 1332042124 /nfs/dbraw/zinc/04/21/24/1332042124.db2.gz GAJZFSQDIMXOSI-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]2C1 ZINC000946654080 1332871766 /nfs/dbraw/zinc/87/17/66/1332871766.db2.gz WFPSGZLUISGPPY-HDICACEKSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1C[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@@H]2C1 ZINC000946654080 1332871768 /nfs/dbraw/zinc/87/17/68/1332871768.db2.gz WFPSGZLUISGPPY-HDICACEKSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1C[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@@H]2C1 ZINC000946654080 1332871770 /nfs/dbraw/zinc/87/17/70/1332871770.db2.gz WFPSGZLUISGPPY-HDICACEKSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947361839 1333103179 /nfs/dbraw/zinc/10/31/79/1333103179.db2.gz RVQVZXYWGJCWRL-NVXWUHKLSA-N 2 1 349.544 3.359 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1CC1CCCC1 ZINC000947437810 1333127810 /nfs/dbraw/zinc/12/78/10/1333127810.db2.gz SWZYYCYPVYTQAX-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000947552022 1333168862 /nfs/dbraw/zinc/16/88/62/1333168862.db2.gz QRSVTUIXXSSQEX-CRAIPNDOSA-N 2 1 342.487 3.353 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947569392 1333175517 /nfs/dbraw/zinc/17/55/17/1333175517.db2.gz XFZPFHQPWFXFRI-MJGOQNOKSA-N 2 1 345.531 3.174 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC1CCCCCC1 ZINC000947684945 1333222505 /nfs/dbraw/zinc/22/25/05/1333222505.db2.gz KMOQIVQWHJEWOZ-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)[C@H](C)C1 ZINC000948043798 1333351428 /nfs/dbraw/zinc/35/14/28/1333351428.db2.gz IYZXVUHXGVGGLR-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)[C@H](C)C1 ZINC000948043798 1333351430 /nfs/dbraw/zinc/35/14/30/1333351430.db2.gz IYZXVUHXGVGGLR-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC000948245212 1333439346 /nfs/dbraw/zinc/43/93/46/1333439346.db2.gz NFEPGKHGFKWMMF-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC000948245212 1333439350 /nfs/dbraw/zinc/43/93/50/1333439350.db2.gz NFEPGKHGFKWMMF-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC000948245212 1333439352 /nfs/dbraw/zinc/43/93/52/1333439352.db2.gz NFEPGKHGFKWMMF-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC000948246639 1333440266 /nfs/dbraw/zinc/44/02/66/1333440266.db2.gz ZGRZIKIISJGYHJ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC000948246639 1333440268 /nfs/dbraw/zinc/44/02/68/1333440268.db2.gz ZGRZIKIISJGYHJ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC000948246639 1333440272 /nfs/dbraw/zinc/44/02/72/1333440272.db2.gz ZGRZIKIISJGYHJ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948591478 1333588077 /nfs/dbraw/zinc/58/80/77/1333588077.db2.gz YFITXYRSKYFGCD-AEFFLSMTSA-N 2 1 342.487 3.307 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620784 1333599354 /nfs/dbraw/zinc/59/93/54/1333599354.db2.gz HYDSWBKYQUIWOF-GOSISDBHSA-N 2 1 342.487 3.307 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC000948634017 1333604509 /nfs/dbraw/zinc/60/45/09/1333604509.db2.gz JMPKMOLKIZFUQR-QUCCMNQESA-N 2 1 343.515 3.075 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC000948634017 1333604515 /nfs/dbraw/zinc/60/45/15/1333604515.db2.gz JMPKMOLKIZFUQR-QUCCMNQESA-N 2 1 343.515 3.075 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948643179 1333609175 /nfs/dbraw/zinc/60/91/75/1333609175.db2.gz RLZJMPMFXWHHJQ-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC000948741453 1333655027 /nfs/dbraw/zinc/65/50/27/1333655027.db2.gz BVIQNDSHBXIDRP-FQEVSTJZSA-N 2 1 347.547 3.142 20 0 EGADMP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[NH+](CCCC2CCC2)CC1 ZINC000948760075 1333665174 /nfs/dbraw/zinc/66/51/74/1333665174.db2.gz RLGGFRUVVAWRSK-FQEVSTJZSA-N 2 1 347.547 3.118 20 0 EGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[NH+](CCCC2CCC2)CC1 ZINC000948760075 1333665176 /nfs/dbraw/zinc/66/51/76/1333665176.db2.gz RLGGFRUVVAWRSK-FQEVSTJZSA-N 2 1 347.547 3.118 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CCC[NH+](CC3CC(C)(C)C3)CC2)C1 ZINC000948767558 1333670889 /nfs/dbraw/zinc/67/08/89/1333670889.db2.gz YGBABVMJAKFWKS-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@H+](CC3CC(C)(C)C3)CC2)C1 ZINC000948767558 1333670894 /nfs/dbraw/zinc/67/08/94/1333670894.db2.gz YGBABVMJAKFWKS-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@@H+](CC3CC(C)(C)C3)CC2)C1 ZINC000948767558 1333670898 /nfs/dbraw/zinc/67/08/98/1333670898.db2.gz YGBABVMJAKFWKS-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC000948776079 1333674358 /nfs/dbraw/zinc/67/43/58/1333674358.db2.gz YTRUPHFAEXCCHW-QUCCMNQESA-N 2 1 347.547 3.284 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC000948776079 1333674360 /nfs/dbraw/zinc/67/43/60/1333674360.db2.gz YTRUPHFAEXCCHW-QUCCMNQESA-N 2 1 347.547 3.284 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC000948776079 1333674365 /nfs/dbraw/zinc/67/43/65/1333674365.db2.gz YTRUPHFAEXCCHW-QUCCMNQESA-N 2 1 347.547 3.284 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC000948775545 1333674375 /nfs/dbraw/zinc/67/43/75/1333674375.db2.gz KVGYSZXCJFBLAL-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC000948775545 1333674379 /nfs/dbraw/zinc/67/43/79/1333674379.db2.gz KVGYSZXCJFBLAL-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000948775545 1333674384 /nfs/dbraw/zinc/67/43/84/1333674384.db2.gz KVGYSZXCJFBLAL-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948821082 1333698166 /nfs/dbraw/zinc/69/81/66/1333698166.db2.gz YGHVISBCZHOCKN-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948821082 1333698167 /nfs/dbraw/zinc/69/81/67/1333698167.db2.gz YGHVISBCZHOCKN-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000948828973 1333701317 /nfs/dbraw/zinc/70/13/17/1333701317.db2.gz ALDWKLAYLRZKIS-RTBURBONSA-N 2 1 337.552 3.364 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000948854357 1333709744 /nfs/dbraw/zinc/70/97/44/1333709744.db2.gz LRTIREFVFAMUGK-RBUKOAKNSA-N 2 1 343.515 3.075 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CC2CCCCCC2)C1 ZINC000950469733 1334076875 /nfs/dbraw/zinc/07/68/75/1334076875.db2.gz PYFUDEZKHFUZIC-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000950628148 1334098898 /nfs/dbraw/zinc/09/88/98/1334098898.db2.gz SLRDIEXUBZIZBM-VQTJNVASSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000950628148 1334098899 /nfs/dbraw/zinc/09/88/99/1334098899.db2.gz SLRDIEXUBZIZBM-VQTJNVASSA-N 2 1 343.515 3.155 20 0 EGADMP CCCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000951362243 1334231132 /nfs/dbraw/zinc/23/11/32/1334231132.db2.gz NLDVOTRGVJUPMQ-IBGZPJMESA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000951362243 1334231137 /nfs/dbraw/zinc/23/11/37/1334231137.db2.gz NLDVOTRGVJUPMQ-IBGZPJMESA-N 2 1 335.536 3.116 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC000951606331 1334277909 /nfs/dbraw/zinc/27/79/09/1334277909.db2.gz RGNHQZBQMHRSFY-FQEVSTJZSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H]1CC[N@@H+](CCCC2CCC2)C[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000967206252 1335676409 /nfs/dbraw/zinc/67/64/09/1335676409.db2.gz NGVXQFHZXJDZSV-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC(C)(C)C)C[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000967398728 1335726082 /nfs/dbraw/zinc/72/60/82/1335726082.db2.gz ZYJRZWQFDZIFOG-QAPCUYQASA-N 2 1 342.487 3.211 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1CC1 ZINC000968850011 1336067618 /nfs/dbraw/zinc/06/76/18/1336067618.db2.gz MNCISZSVSNYXMC-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CC1 ZINC000968850011 1336067620 /nfs/dbraw/zinc/06/76/20/1336067620.db2.gz MNCISZSVSNYXMC-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CC1 ZINC000968850011 1336067623 /nfs/dbraw/zinc/06/76/23/1336067623.db2.gz MNCISZSVSNYXMC-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000968851436 1336067790 /nfs/dbraw/zinc/06/77/90/1336067790.db2.gz QYXVQOUPZYVBNF-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1Cc1ccsc1 ZINC000968920832 1336090213 /nfs/dbraw/zinc/09/02/13/1336090213.db2.gz ZJFBOYKRNWTYEL-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1Cc1ccsc1 ZINC000968920832 1336090216 /nfs/dbraw/zinc/09/02/16/1336090216.db2.gz ZJFBOYKRNWTYEL-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccsc1 ZINC000968920832 1336090218 /nfs/dbraw/zinc/09/02/18/1336090218.db2.gz ZJFBOYKRNWTYEL-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1Cc1ccsc1 ZINC000968920832 1336090220 /nfs/dbraw/zinc/09/02/20/1336090220.db2.gz ZJFBOYKRNWTYEL-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1CC1 ZINC000968928514 1336092870 /nfs/dbraw/zinc/09/28/70/1336092870.db2.gz MWUKCUMPGJFCKK-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CC1 ZINC000968928514 1336092874 /nfs/dbraw/zinc/09/28/74/1336092874.db2.gz MWUKCUMPGJFCKK-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CC1 ZINC000968928514 1336092877 /nfs/dbraw/zinc/09/28/77/1336092877.db2.gz MWUKCUMPGJFCKK-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](F)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936899 1336096431 /nfs/dbraw/zinc/09/64/31/1336096431.db2.gz UNEUAAIMPJVLLV-IRXDYDNUSA-N 2 1 346.450 3.057 20 0 EGADMP CCC(CC)C[N@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969013656 1336118270 /nfs/dbraw/zinc/11/82/70/1336118270.db2.gz CKFCTLALSHBINO-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCCC1 ZINC000969156141 1336165388 /nfs/dbraw/zinc/16/53/88/1336165388.db2.gz KTNFNTFQOMIELW-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000969170062 1336170622 /nfs/dbraw/zinc/17/06/22/1336170622.db2.gz NAOWBNGVVVIXEZ-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CCCCC2)C1 ZINC000969795274 1336248661 /nfs/dbraw/zinc/24/86/61/1336248661.db2.gz DHLLYIOJRZAZHR-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCC2)C1 ZINC000970719503 1336335429 /nfs/dbraw/zinc/33/54/29/1336335429.db2.gz SBBZTDGYQQJIIY-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005503971 1336363633 /nfs/dbraw/zinc/36/36/33/1336363633.db2.gz OLYSCKHRVLCWKF-PXNSSMCTSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001005592421 1336376841 /nfs/dbraw/zinc/37/68/41/1336376841.db2.gz MEIUBCZPBJZQMD-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP COc1c(Br)cccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205629461 1370817779 /nfs/dbraw/zinc/81/77/79/1370817779.db2.gz YXUMXPSYMRRLFV-STQMWFEESA-N 2 1 341.293 3.265 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC[NH+](CC2CCC(C)CC2)CC1 ZINC001005993401 1336435574 /nfs/dbraw/zinc/43/55/74/1336435574.db2.gz ASEHOXFELSFICU-XBMUEBEBSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001006001440 1336435961 /nfs/dbraw/zinc/43/59/61/1336435961.db2.gz NUCYYWYLTZWEFM-YLJYHZDGSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001006082806 1336449361 /nfs/dbraw/zinc/44/93/61/1336449361.db2.gz BLZUNAAHVQXHRK-IBGZPJMESA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CCCC2)CC1 ZINC001006085478 1336450102 /nfs/dbraw/zinc/45/01/02/1336450102.db2.gz WMDXSNLPEOOQOF-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001006296365 1336485716 /nfs/dbraw/zinc/48/57/16/1336485716.db2.gz YGVYFPBANYBDML-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001006407966 1336500885 /nfs/dbraw/zinc/50/08/85/1336500885.db2.gz PNBOJHWMMSUGQU-UHFFFAOYSA-N 2 1 346.519 3.085 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007457764 1336651152 /nfs/dbraw/zinc/65/11/52/1336651152.db2.gz RQRYIBBQNZPUHR-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001007457764 1336651157 /nfs/dbraw/zinc/65/11/57/1336651157.db2.gz RQRYIBBQNZPUHR-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001007500850 1336658697 /nfs/dbraw/zinc/65/86/97/1336658697.db2.gz WCURWXOTILAMNU-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001007500850 1336658701 /nfs/dbraw/zinc/65/87/01/1336658701.db2.gz WCURWXOTILAMNU-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001007500850 1336658706 /nfs/dbraw/zinc/65/87/06/1336658706.db2.gz WCURWXOTILAMNU-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001007648877 1336684190 /nfs/dbraw/zinc/68/41/90/1336684190.db2.gz VFUQUJYUEXHRSZ-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001007648877 1336684193 /nfs/dbraw/zinc/68/41/93/1336684193.db2.gz VFUQUJYUEXHRSZ-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001007648877 1336684194 /nfs/dbraw/zinc/68/41/94/1336684194.db2.gz VFUQUJYUEXHRSZ-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2CCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001007797408 1336702659 /nfs/dbraw/zinc/70/26/59/1336702659.db2.gz ADBLMRZSPOAJPB-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001008166306 1336782942 /nfs/dbraw/zinc/78/29/42/1336782942.db2.gz ZRIDTPDFQIGQFS-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001008164982 1336783139 /nfs/dbraw/zinc/78/31/39/1336783139.db2.gz WAFZHCWKRKQWMU-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](CCC3CCCC3)C2)C1 ZINC001008274264 1336811821 /nfs/dbraw/zinc/81/18/21/1336811821.db2.gz FZOOGOQRWHYEFQ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@H+](CCC3CCCC3)C2)C1 ZINC001008274264 1336811822 /nfs/dbraw/zinc/81/18/22/1336811822.db2.gz FZOOGOQRWHYEFQ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCC3CCCC3)C2)C1 ZINC001008274264 1336811823 /nfs/dbraw/zinc/81/18/23/1336811823.db2.gz FZOOGOQRWHYEFQ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](CC3=CCCCC3)C2)C1 ZINC001008278747 1336813208 /nfs/dbraw/zinc/81/32/08/1336813208.db2.gz PXTFUINQEAVADT-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@H+](CC3=CCCCC3)C2)C1 ZINC001008278747 1336813209 /nfs/dbraw/zinc/81/32/09/1336813209.db2.gz PXTFUINQEAVADT-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001008278747 1336813213 /nfs/dbraw/zinc/81/32/13/1336813213.db2.gz PXTFUINQEAVADT-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001008749975 1336919567 /nfs/dbraw/zinc/91/95/67/1336919567.db2.gz SXCXMFSWCOQLDL-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@@H+](CCC3=CCCCC3)C2)CC1 ZINC001008759567 1336921277 /nfs/dbraw/zinc/92/12/77/1336921277.db2.gz FJNZCFRTAQPUSJ-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001009537515 1337035134 /nfs/dbraw/zinc/03/51/34/1337035134.db2.gz NKVFBKHKLRQXJU-OALUTQOASA-N 2 1 343.515 3.041 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001009636628 1337050162 /nfs/dbraw/zinc/05/01/62/1337050162.db2.gz NOYMIOZQQMXHLJ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001009636628 1337050165 /nfs/dbraw/zinc/05/01/65/1337050165.db2.gz NOYMIOZQQMXHLJ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001009636628 1337050167 /nfs/dbraw/zinc/05/01/67/1337050167.db2.gz NOYMIOZQQMXHLJ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014415387 1337771299 /nfs/dbraw/zinc/77/12/99/1337771299.db2.gz UGJNKTPWNBFXSG-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001014415387 1337771302 /nfs/dbraw/zinc/77/13/02/1337771302.db2.gz UGJNKTPWNBFXSG-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001014415387 1337771304 /nfs/dbraw/zinc/77/13/04/1337771304.db2.gz UGJNKTPWNBFXSG-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014721161 1337883350 /nfs/dbraw/zinc/88/33/50/1337883350.db2.gz IJGAYPFXEMNSSC-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001014721161 1337883354 /nfs/dbraw/zinc/88/33/54/1337883354.db2.gz IJGAYPFXEMNSSC-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001014721161 1337883358 /nfs/dbraw/zinc/88/33/58/1337883358.db2.gz IJGAYPFXEMNSSC-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001014724269 1337886006 /nfs/dbraw/zinc/88/60/06/1337886006.db2.gz SRUCDUJHFLTUCB-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001014724269 1337886007 /nfs/dbraw/zinc/88/60/07/1337886007.db2.gz SRUCDUJHFLTUCB-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001014724269 1337886011 /nfs/dbraw/zinc/88/60/11/1337886011.db2.gz SRUCDUJHFLTUCB-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015114735 1338023409 /nfs/dbraw/zinc/02/34/09/1338023409.db2.gz RUFCEBRPXBAAIY-AEFFLSMTSA-N 2 1 348.450 3.208 20 0 EGADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001015500227 1338160649 /nfs/dbraw/zinc/16/06/49/1338160649.db2.gz SAIZUAKTYGYMLT-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC(CC)CC)CC2 ZINC001016652016 1338678977 /nfs/dbraw/zinc/67/89/77/1338678977.db2.gz NIHGZEKRHJWQNC-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001017151967 1338902120 /nfs/dbraw/zinc/90/21/20/1338902120.db2.gz JHYANWJVMIBABJ-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001017151967 1338902123 /nfs/dbraw/zinc/90/21/23/1338902123.db2.gz JHYANWJVMIBABJ-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001017151967 1338902126 /nfs/dbraw/zinc/90/21/26/1338902126.db2.gz JHYANWJVMIBABJ-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CCC2)C1 ZINC001017159647 1338908420 /nfs/dbraw/zinc/90/84/20/1338908420.db2.gz CDVYZSLDBXXVIL-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001017159647 1338908446 /nfs/dbraw/zinc/90/84/46/1338908446.db2.gz CDVYZSLDBXXVIL-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017159647 1338908448 /nfs/dbraw/zinc/90/84/48/1338908448.db2.gz CDVYZSLDBXXVIL-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(C)cc2)C1)[NH+](C)C ZINC001017211828 1338956874 /nfs/dbraw/zinc/95/68/74/1338956874.db2.gz LUBWFFNXDJPNDJ-PMACEKPBSA-N 2 1 345.531 3.006 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)C(C)C)C1 ZINC001017247231 1338977378 /nfs/dbraw/zinc/97/73/78/1338977378.db2.gz VFGDPMZINRFVDO-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)C(C)C)C1 ZINC001017247231 1338977381 /nfs/dbraw/zinc/97/73/81/1338977381.db2.gz VFGDPMZINRFVDO-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)C(C)C)C1 ZINC001017247231 1338977384 /nfs/dbraw/zinc/97/73/84/1338977384.db2.gz VFGDPMZINRFVDO-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP C[N@H+](CC1CCCC1)C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001017252898 1338983134 /nfs/dbraw/zinc/98/31/34/1338983134.db2.gz QBDFSGCGNQUGST-QGZVFWFLSA-N 2 1 346.519 3.048 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001017252898 1338983136 /nfs/dbraw/zinc/98/31/36/1338983136.db2.gz QBDFSGCGNQUGST-QGZVFWFLSA-N 2 1 346.519 3.048 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001018836500 1339735742 /nfs/dbraw/zinc/73/57/42/1339735742.db2.gz BNXNSASQBPNBKV-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+]2CCC2CCCC2)C1 ZINC001028087826 1340418057 /nfs/dbraw/zinc/41/80/57/1340418057.db2.gz AIJFZTXWYBSEAX-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCC2CCCC2)C1 ZINC001028087826 1340418062 /nfs/dbraw/zinc/41/80/62/1340418062.db2.gz AIJFZTXWYBSEAX-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCC2CCCC2)C1 ZINC001028087826 1340418067 /nfs/dbraw/zinc/41/80/67/1340418067.db2.gz AIJFZTXWYBSEAX-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC(CC)CC)C1 ZINC001028088961 1340418123 /nfs/dbraw/zinc/41/81/23/1340418123.db2.gz RYABLWVLHAQRTF-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(CC)CC)C1 ZINC001028088961 1340418125 /nfs/dbraw/zinc/41/81/25/1340418125.db2.gz RYABLWVLHAQRTF-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(CC)CC)C1 ZINC001028088961 1340418128 /nfs/dbraw/zinc/41/81/28/1340418128.db2.gz RYABLWVLHAQRTF-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC2=CCCCC2)CC1 ZINC001028235101 1340497747 /nfs/dbraw/zinc/49/77/47/1340497747.db2.gz PYLNGNCOIQGWSO-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCCC1 ZINC001028335206 1340571997 /nfs/dbraw/zinc/57/19/97/1340571997.db2.gz PPPKFWNFZOKHTH-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC001028335206 1340571999 /nfs/dbraw/zinc/57/19/99/1340571999.db2.gz PPPKFWNFZOKHTH-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCCC1 ZINC001028335206 1340572000 /nfs/dbraw/zinc/57/20/00/1340572000.db2.gz PPPKFWNFZOKHTH-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1csc(C)c1 ZINC001028334981 1340572801 /nfs/dbraw/zinc/57/28/01/1340572801.db2.gz LZINEORPGHROQU-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1csc(C)c1 ZINC001028334981 1340572810 /nfs/dbraw/zinc/57/28/10/1340572810.db2.gz LZINEORPGHROQU-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1csc(C)c1 ZINC001028334981 1340572819 /nfs/dbraw/zinc/57/28/19/1340572819.db2.gz LZINEORPGHROQU-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028595440 1340719145 /nfs/dbraw/zinc/71/91/45/1340719145.db2.gz YUOWIJHUMWGRTM-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028595440 1340719151 /nfs/dbraw/zinc/71/91/51/1340719151.db2.gz YUOWIJHUMWGRTM-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028595440 1340719157 /nfs/dbraw/zinc/71/91/57/1340719157.db2.gz YUOWIJHUMWGRTM-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001028647698 1340742536 /nfs/dbraw/zinc/74/25/36/1340742536.db2.gz MBXXZAWKUGPVDJ-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001028647698 1340742542 /nfs/dbraw/zinc/74/25/42/1340742542.db2.gz MBXXZAWKUGPVDJ-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001028647698 1340742548 /nfs/dbraw/zinc/74/25/48/1340742548.db2.gz MBXXZAWKUGPVDJ-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755055 1340791929 /nfs/dbraw/zinc/79/19/29/1340791929.db2.gz FPVAZMBMOWBLOG-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755055 1340791932 /nfs/dbraw/zinc/79/19/32/1340791932.db2.gz FPVAZMBMOWBLOG-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755055 1340791935 /nfs/dbraw/zinc/79/19/35/1340791935.db2.gz FPVAZMBMOWBLOG-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001028845589 1340857691 /nfs/dbraw/zinc/85/76/91/1340857691.db2.gz NCNCPAZYPXWIAF-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001028845589 1340857693 /nfs/dbraw/zinc/85/76/93/1340857693.db2.gz NCNCPAZYPXWIAF-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001028845589 1340857694 /nfs/dbraw/zinc/85/76/94/1340857694.db2.gz NCNCPAZYPXWIAF-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001029107428 1340931726 /nfs/dbraw/zinc/93/17/26/1340931726.db2.gz MTAZDWVLIJGZLJ-QFBILLFUSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001029145948 1340942615 /nfs/dbraw/zinc/94/26/15/1340942615.db2.gz FUEUSSPYHOQEEB-MSOLQXFVSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1)[NH+](C)C ZINC001029459813 1340995608 /nfs/dbraw/zinc/99/56/08/1340995608.db2.gz HXBQTGLQCHQFSM-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1)[NH+](C)C ZINC001029460059 1340995629 /nfs/dbraw/zinc/99/56/29/1340995629.db2.gz NQKPQSODUUNAHG-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001029474285 1340998142 /nfs/dbraw/zinc/99/81/42/1340998142.db2.gz PUWGVVIZPLGVTF-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001029474285 1340998144 /nfs/dbraw/zinc/99/81/44/1340998144.db2.gz PUWGVVIZPLGVTF-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1 ZINC001029474285 1340998145 /nfs/dbraw/zinc/99/81/45/1340998145.db2.gz PUWGVVIZPLGVTF-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001029550197 1341010691 /nfs/dbraw/zinc/01/06/91/1341010691.db2.gz DHSKIVYWUFZOGT-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001029550197 1341010692 /nfs/dbraw/zinc/01/06/92/1341010692.db2.gz DHSKIVYWUFZOGT-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001029550197 1341010693 /nfs/dbraw/zinc/01/06/93/1341010693.db2.gz DHSKIVYWUFZOGT-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001029595253 1341018611 /nfs/dbraw/zinc/01/86/11/1341018611.db2.gz FDIVYYJOCOHQCW-LFGUQSLTSA-N 2 1 347.547 3.115 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001029753244 1341064119 /nfs/dbraw/zinc/06/41/19/1341064119.db2.gz BHUCUZGPGBQVHI-MSOLQXFVSA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029910634 1341113749 /nfs/dbraw/zinc/11/37/49/1341113749.db2.gz SYLRPQKXEFQHFC-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001029910634 1341113750 /nfs/dbraw/zinc/11/37/50/1341113750.db2.gz SYLRPQKXEFQHFC-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001029910634 1341113751 /nfs/dbraw/zinc/11/37/51/1341113751.db2.gz SYLRPQKXEFQHFC-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP C[N@@H+](C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)CC1CCCCC1 ZINC001029910752 1341113885 /nfs/dbraw/zinc/11/38/85/1341113885.db2.gz ZBAGPYPJGTZALS-HXUWFJFHSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC2CC(C)C2)CC1 ZINC001029964474 1341136865 /nfs/dbraw/zinc/13/68/65/1341136865.db2.gz KPLCHLHRNDPPTA-UUKMXZOPSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC2CC(C)C2)CC1 ZINC001029964474 1341136866 /nfs/dbraw/zinc/13/68/66/1341136866.db2.gz KPLCHLHRNDPPTA-UUKMXZOPSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC2CC(C)C2)CC1 ZINC001029964474 1341136867 /nfs/dbraw/zinc/13/68/67/1341136867.db2.gz KPLCHLHRNDPPTA-UUKMXZOPSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C[N@@H+](C)CC2CCCC2)CC1 ZINC001030014913 1341158529 /nfs/dbraw/zinc/15/85/29/1341158529.db2.gz TYCVCUJOIXITRH-QZTJIDSGSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1C[NH+](CC2CCCCCC2)C1 ZINC001030441807 1341187858 /nfs/dbraw/zinc/18/78/58/1341187858.db2.gz GSTBKFFWGYBJOS-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001030832670 1341232753 /nfs/dbraw/zinc/23/27/53/1341232753.db2.gz GPWIGBXMVNGTCH-HXUWFJFHSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001030832670 1341232755 /nfs/dbraw/zinc/23/27/55/1341232755.db2.gz GPWIGBXMVNGTCH-HXUWFJFHSA-N 2 1 347.547 3.164 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC2CCCCCC2)C1 ZINC001031235189 1341301482 /nfs/dbraw/zinc/30/14/82/1341301482.db2.gz PPHNWRMZQJHBEX-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](CC)c2ccccc2)C1 ZINC001031715589 1341392076 /nfs/dbraw/zinc/39/20/76/1341392076.db2.gz WSEZAGPMOCEWJP-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC1CCC1 ZINC001032664159 1341576143 /nfs/dbraw/zinc/57/61/43/1341576143.db2.gz SZUAPWFDMUWRAV-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCC1 ZINC001032664159 1341576144 /nfs/dbraw/zinc/57/61/44/1341576144.db2.gz SZUAPWFDMUWRAV-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCC1 ZINC001032664159 1341576145 /nfs/dbraw/zinc/57/61/45/1341576145.db2.gz SZUAPWFDMUWRAV-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCCC1 ZINC001032802043 1341619024 /nfs/dbraw/zinc/61/90/24/1341619024.db2.gz PUTBWAVEIJGANT-PMACEKPBSA-N 2 1 347.547 3.118 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001032839722 1341631141 /nfs/dbraw/zinc/63/11/41/1341631141.db2.gz GGKJBMBGGFDWCN-NSHGMRRFSA-N 2 1 343.515 3.039 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001032839722 1341631144 /nfs/dbraw/zinc/63/11/44/1341631144.db2.gz GGKJBMBGGFDWCN-NSHGMRRFSA-N 2 1 343.515 3.039 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+]2CC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001032839722 1341631145 /nfs/dbraw/zinc/63/11/45/1341631145.db2.gz GGKJBMBGGFDWCN-NSHGMRRFSA-N 2 1 343.515 3.039 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+]2CC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001032839722 1341631146 /nfs/dbraw/zinc/63/11/46/1341631146.db2.gz GGKJBMBGGFDWCN-NSHGMRRFSA-N 2 1 343.515 3.039 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033072988 1341716027 /nfs/dbraw/zinc/71/60/27/1341716027.db2.gz OJXDKOOEASFFEM-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033072988 1341716032 /nfs/dbraw/zinc/71/60/32/1341716032.db2.gz OJXDKOOEASFFEM-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033072988 1341716035 /nfs/dbraw/zinc/71/60/35/1341716035.db2.gz OJXDKOOEASFFEM-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033365831 1341797726 /nfs/dbraw/zinc/79/77/26/1341797726.db2.gz KSVLATIGLDLPES-SFHVURJKSA-N 2 1 347.503 3.068 20 0 EGADMP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033365831 1341797727 /nfs/dbraw/zinc/79/77/27/1341797727.db2.gz KSVLATIGLDLPES-SFHVURJKSA-N 2 1 347.503 3.068 20 0 EGADMP CN(C(=O)c1occc1C[NH+](C)C)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033374197 1341801490 /nfs/dbraw/zinc/80/14/90/1341801490.db2.gz XPIDWUKRWRJPJO-GOSISDBHSA-N 2 1 347.503 3.068 20 0 EGADMP CN(C(=O)c1occc1C[NH+](C)C)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033374197 1341801492 /nfs/dbraw/zinc/80/14/92/1341801492.db2.gz XPIDWUKRWRJPJO-GOSISDBHSA-N 2 1 347.503 3.068 20 0 EGADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033474918 1341840785 /nfs/dbraw/zinc/84/07/85/1341840785.db2.gz KYUKWBSDPKZRBI-FQEVSTJZSA-N 2 1 347.547 3.142 20 0 EGADMP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CCC3=CCCCC3)C2)CC1 ZINC001033530457 1341860216 /nfs/dbraw/zinc/86/02/16/1341860216.db2.gz BCSOJCFRHNHLTO-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001033546829 1341865632 /nfs/dbraw/zinc/86/56/32/1341865632.db2.gz GHJHPMPLOJGDHG-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC=C(C)C)C1 ZINC001033570511 1341878440 /nfs/dbraw/zinc/87/84/40/1341878440.db2.gz BAGWVHYANNQWBV-RBUKOAKNSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001033570511 1341878441 /nfs/dbraw/zinc/87/84/41/1341878441.db2.gz BAGWVHYANNQWBV-RBUKOAKNSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001033570511 1341878442 /nfs/dbraw/zinc/87/84/42/1341878442.db2.gz BAGWVHYANNQWBV-RBUKOAKNSA-N 2 1 335.536 3.140 20 0 EGADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001033825143 1342026164 /nfs/dbraw/zinc/02/61/64/1342026164.db2.gz AQOSHLBKFWAMIR-QZTJIDSGSA-N 2 1 349.544 3.044 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033825143 1342026168 /nfs/dbraw/zinc/02/61/68/1342026168.db2.gz AQOSHLBKFWAMIR-QZTJIDSGSA-N 2 1 349.544 3.044 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033825143 1342026169 /nfs/dbraw/zinc/02/61/69/1342026169.db2.gz AQOSHLBKFWAMIR-QZTJIDSGSA-N 2 1 349.544 3.044 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CC3CC(C)(C)C3)C2)CC[N@H+]1C ZINC001033834295 1342034060 /nfs/dbraw/zinc/03/40/60/1342034060.db2.gz FLGMVQSPGAZRJH-GBESFXJTSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](CC3CC(C)(C)C3)C2)CC[NH+]1C ZINC001033834295 1342034061 /nfs/dbraw/zinc/03/40/61/1342034061.db2.gz FLGMVQSPGAZRJH-GBESFXJTSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)CC[NH+]1C ZINC001033834295 1342034063 /nfs/dbraw/zinc/03/40/63/1342034063.db2.gz FLGMVQSPGAZRJH-GBESFXJTSA-N 2 1 349.563 3.076 20 0 EGADMP CCN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033853392 1342044471 /nfs/dbraw/zinc/04/44/71/1342044471.db2.gz AHDQKAAKMSNCCP-IRXDYDNUSA-N 2 1 346.519 3.120 20 0 EGADMP CCN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033853392 1342044473 /nfs/dbraw/zinc/04/44/73/1342044473.db2.gz AHDQKAAKMSNCCP-IRXDYDNUSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC)[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001033932347 1342096754 /nfs/dbraw/zinc/09/67/54/1342096754.db2.gz LRGPKCFOJFZEAI-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(CC)[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001033932347 1342096756 /nfs/dbraw/zinc/09/67/56/1342096756.db2.gz LRGPKCFOJFZEAI-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(CC)[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001033932347 1342096758 /nfs/dbraw/zinc/09/67/58/1342096758.db2.gz LRGPKCFOJFZEAI-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)CC1 ZINC001075459138 1356392999 /nfs/dbraw/zinc/39/29/99/1356392999.db2.gz ZSSFLCIOBBCXEQ-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC001075459138 1356393004 /nfs/dbraw/zinc/39/30/04/1356393004.db2.gz ZSSFLCIOBBCXEQ-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)CC1 ZINC001075459138 1356393006 /nfs/dbraw/zinc/39/30/06/1356393006.db2.gz ZSSFLCIOBBCXEQ-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034205141 1342316673 /nfs/dbraw/zinc/31/66/73/1342316673.db2.gz STZZDCDODSGLKS-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034205141 1342316678 /nfs/dbraw/zinc/31/66/78/1342316678.db2.gz STZZDCDODSGLKS-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034205141 1342316680 /nfs/dbraw/zinc/31/66/80/1342316680.db2.gz STZZDCDODSGLKS-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034212980 1342322618 /nfs/dbraw/zinc/32/26/18/1342322618.db2.gz SOAFPXIHLQRSPC-RTBURBONSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034212980 1342322621 /nfs/dbraw/zinc/32/26/21/1342322621.db2.gz SOAFPXIHLQRSPC-RTBURBONSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034212980 1342322623 /nfs/dbraw/zinc/32/26/23/1342322623.db2.gz SOAFPXIHLQRSPC-RTBURBONSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034238489 1342339573 /nfs/dbraw/zinc/33/95/73/1342339573.db2.gz CQOSFXGMWACWHH-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034238489 1342339576 /nfs/dbraw/zinc/33/95/76/1342339576.db2.gz CQOSFXGMWACWHH-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034238489 1342339580 /nfs/dbraw/zinc/33/95/80/1342339580.db2.gz CQOSFXGMWACWHH-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034239218 1342340318 /nfs/dbraw/zinc/34/03/18/1342340318.db2.gz JFFURCRCTPIRJE-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034239218 1342340322 /nfs/dbraw/zinc/34/03/22/1342340322.db2.gz JFFURCRCTPIRJE-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034239218 1342340326 /nfs/dbraw/zinc/34/03/26/1342340326.db2.gz JFFURCRCTPIRJE-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](CCCC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001034291310 1342377348 /nfs/dbraw/zinc/37/73/48/1342377348.db2.gz SZKSCSHGESWEGZ-LJQANCHMSA-N 2 1 347.547 3.166 20 0 EGADMP CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034361789 1342432871 /nfs/dbraw/zinc/43/28/71/1342432871.db2.gz SCFRMZNCEVGVJH-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034361789 1342432879 /nfs/dbraw/zinc/43/28/79/1342432879.db2.gz SCFRMZNCEVGVJH-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034361789 1342432883 /nfs/dbraw/zinc/43/28/83/1342432883.db2.gz SCFRMZNCEVGVJH-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034364904 1342435548 /nfs/dbraw/zinc/43/55/48/1342435548.db2.gz NLZCJBMIDHDCKS-GOSISDBHSA-N 2 1 349.519 3.362 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034364904 1342435551 /nfs/dbraw/zinc/43/55/51/1342435551.db2.gz NLZCJBMIDHDCKS-GOSISDBHSA-N 2 1 349.519 3.362 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC001034379197 1342449067 /nfs/dbraw/zinc/44/90/67/1342449067.db2.gz BYKPWVZREBVQBL-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001034379156 1342449762 /nfs/dbraw/zinc/44/97/62/1342449762.db2.gz BOYZIFNSPWSZJG-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC001034426313 1342488290 /nfs/dbraw/zinc/48/82/90/1342488290.db2.gz KVRGZLBDGRGPAB-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](CCC(C)(C)C)C1 ZINC001034426313 1342488294 /nfs/dbraw/zinc/48/82/94/1342488294.db2.gz KVRGZLBDGRGPAB-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034432911 1342495257 /nfs/dbraw/zinc/49/52/57/1342495257.db2.gz AASRUUFAYVBDNC-RTBURBONSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034432911 1342495259 /nfs/dbraw/zinc/49/52/59/1342495259.db2.gz AASRUUFAYVBDNC-RTBURBONSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034432911 1342495262 /nfs/dbraw/zinc/49/52/62/1342495262.db2.gz AASRUUFAYVBDNC-RTBURBONSA-N 2 1 335.536 3.186 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444334 1342504478 /nfs/dbraw/zinc/50/44/78/1342504478.db2.gz FOFBPQHCANKLRG-FXAWDEMLSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CC3CCCC3)C2)CC1 ZINC001034475011 1342530929 /nfs/dbraw/zinc/53/09/29/1342530929.db2.gz OPNRSSUEVAJLLT-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034480047 1342536770 /nfs/dbraw/zinc/53/67/70/1342536770.db2.gz DYHAMGTZTHJUIL-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CC2)C1 ZINC001034480047 1342536772 /nfs/dbraw/zinc/53/67/72/1342536772.db2.gz DYHAMGTZTHJUIL-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CC2)C1 ZINC001034480047 1342536774 /nfs/dbraw/zinc/53/67/74/1342536774.db2.gz DYHAMGTZTHJUIL-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](CCCC2CCCC2)C1 ZINC001034530638 1342586731 /nfs/dbraw/zinc/58/67/31/1342586731.db2.gz ZEFFDYGYYYLGFG-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](CCCC2CCCC2)C1 ZINC001034530638 1342586741 /nfs/dbraw/zinc/58/67/41/1342586741.db2.gz ZEFFDYGYYYLGFG-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCCC[N@@H+](CCC3CC3)C2)c1 ZINC001034536327 1342592371 /nfs/dbraw/zinc/59/23/71/1342592371.db2.gz FHEIEONGSYEBFF-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538037 1342594884 /nfs/dbraw/zinc/59/48/84/1342594884.db2.gz PYSCOFKHPDOAQJ-MOPGFXCFSA-N 2 1 349.494 3.081 20 0 EGADMP CC1CCC(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001034673972 1342685874 /nfs/dbraw/zinc/68/58/74/1342685874.db2.gz IGJWIPQVIWTAMR-WFAGLZIHSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3=CCCCC3)CC2)CC[N@H+]1C ZINC001034714579 1342710896 /nfs/dbraw/zinc/71/08/96/1342710896.db2.gz AJPPVNFNRKLEFV-LEAZDLGRSA-N 2 1 347.547 3.234 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCC3)CC2)CC[N@H+]1C ZINC001034714711 1342710965 /nfs/dbraw/zinc/71/09/65/1342710965.db2.gz GJMUMSYGPXJKLD-LEAZDLGRSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034737951 1342729259 /nfs/dbraw/zinc/72/92/59/1342729259.db2.gz PDYJOWIYNZPGFL-BHIYHBOVSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001034738851 1342729631 /nfs/dbraw/zinc/72/96/31/1342729631.db2.gz WIYBGWNYEAEHCQ-LEAZDLGRSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1)c1ccccc1 ZINC001034738884 1342729803 /nfs/dbraw/zinc/72/98/03/1342729803.db2.gz XGHNJQLKMIJKKE-ZULIPRJHSA-N 2 1 343.515 3.249 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001034959441 1342853211 /nfs/dbraw/zinc/85/32/11/1342853211.db2.gz YTMXPKNVLMUECL-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC2 ZINC001035188078 1343002319 /nfs/dbraw/zinc/00/23/19/1343002319.db2.gz QOKYYXOCQJMTQT-CEXWTWQISA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001035188078 1343002324 /nfs/dbraw/zinc/00/23/24/1343002324.db2.gz QOKYYXOCQJMTQT-CEXWTWQISA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001035188078 1343002326 /nfs/dbraw/zinc/00/23/26/1343002326.db2.gz QOKYYXOCQJMTQT-CEXWTWQISA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[NH+]1C)CC2 ZINC001035196047 1343009624 /nfs/dbraw/zinc/00/96/24/1343009624.db2.gz QCHZJXURSUWNOX-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001035196047 1343009626 /nfs/dbraw/zinc/00/96/26/1343009626.db2.gz QCHZJXURSUWNOX-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)CC2 ZINC001035196047 1343009630 /nfs/dbraw/zinc/00/96/30/1343009630.db2.gz QCHZJXURSUWNOX-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1)CC2 ZINC001035204801 1343019555 /nfs/dbraw/zinc/01/95/55/1343019555.db2.gz CJGDEKTVVCSUHN-UHFFFAOYSA-N 2 1 340.471 3.063 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001035222262 1343043870 /nfs/dbraw/zinc/04/38/70/1343043870.db2.gz BWVAKJJXAYCUDB-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244076 1343065107 /nfs/dbraw/zinc/06/51/07/1343065107.db2.gz ILWPFMDJZRASSI-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC3(CC[NH+](CCC(C)(C)C)C3)CC2)C1 ZINC001035247218 1343070717 /nfs/dbraw/zinc/07/07/17/1343070717.db2.gz TXYBWLCIYRBORL-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N2CCC3(CC[N@H+](CCC(C)(C)C)C3)CC2)C1 ZINC001035247218 1343070720 /nfs/dbraw/zinc/07/07/20/1343070720.db2.gz TXYBWLCIYRBORL-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N2CCC3(CC[N@@H+](CCC(C)(C)C)C3)CC2)C1 ZINC001035247218 1343070724 /nfs/dbraw/zinc/07/07/24/1343070724.db2.gz TXYBWLCIYRBORL-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001036193339 1343356466 /nfs/dbraw/zinc/35/64/66/1343356466.db2.gz MKNHYQAUTZROOJ-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001036408684 1343469519 /nfs/dbraw/zinc/46/95/19/1343469519.db2.gz FYTNGPQNSDXECT-WMZOPIPTSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001038241418 1344339485 /nfs/dbraw/zinc/33/94/85/1344339485.db2.gz TXLSYGLKBXMEPC-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001038241418 1344339486 /nfs/dbraw/zinc/33/94/86/1344339486.db2.gz TXLSYGLKBXMEPC-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001038241418 1344339490 /nfs/dbraw/zinc/33/94/90/1344339490.db2.gz TXLSYGLKBXMEPC-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2CC2CCC(C)(C)CC2)CC[N@H+]1C ZINC001038268247 1344349756 /nfs/dbraw/zinc/34/97/56/1344349756.db2.gz DHWSMZHMWCQYKA-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CC2CCC(C)(C)CC2)CC[NH+]1C ZINC001038268247 1344349758 /nfs/dbraw/zinc/34/97/58/1344349758.db2.gz DHWSMZHMWCQYKA-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+]2CC2CCC(C)(C)CC2)CC[NH+]1C ZINC001038268247 1344349761 /nfs/dbraw/zinc/34/97/61/1344349761.db2.gz DHWSMZHMWCQYKA-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001038320200 1344378525 /nfs/dbraw/zinc/37/85/25/1344378525.db2.gz HGXYLUYJENJQSG-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001038320200 1344378530 /nfs/dbraw/zinc/37/85/30/1344378530.db2.gz HGXYLUYJENJQSG-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCCC1CCCC1 ZINC001038320200 1344378536 /nfs/dbraw/zinc/37/85/36/1344378536.db2.gz HGXYLUYJENJQSG-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001038443019 1344429584 /nfs/dbraw/zinc/42/95/84/1344429584.db2.gz FXCLPPLGIKTNSA-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001038443019 1344429587 /nfs/dbraw/zinc/42/95/87/1344429587.db2.gz FXCLPPLGIKTNSA-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001038443019 1344429590 /nfs/dbraw/zinc/42/95/90/1344429590.db2.gz FXCLPPLGIKTNSA-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038467331 1344437585 /nfs/dbraw/zinc/43/75/85/1344437585.db2.gz ZHKAEQTZTAPWIG-AZUAARDMSA-N 2 1 348.450 3.290 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038620145 1344508048 /nfs/dbraw/zinc/50/80/48/1344508048.db2.gz CDFUIVDOAUQDCC-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038620145 1344508049 /nfs/dbraw/zinc/50/80/49/1344508049.db2.gz CDFUIVDOAUQDCC-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001038620145 1344508052 /nfs/dbraw/zinc/50/80/52/1344508052.db2.gz CDFUIVDOAUQDCC-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038620155 1344508100 /nfs/dbraw/zinc/50/81/00/1344508100.db2.gz CDFUIVDOAUQDCC-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038620155 1344508104 /nfs/dbraw/zinc/50/81/04/1344508104.db2.gz CDFUIVDOAUQDCC-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001038620155 1344508105 /nfs/dbraw/zinc/50/81/05/1344508105.db2.gz CDFUIVDOAUQDCC-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001039051789 1344736413 /nfs/dbraw/zinc/73/64/13/1344736413.db2.gz YYPNSRQDOVCDKE-IBGZPJMESA-N 2 1 343.515 3.133 20 0 EGADMP CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039133895 1344812679 /nfs/dbraw/zinc/81/26/79/1344812679.db2.gz LXOFIJVBIXKRTI-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039133895 1344812680 /nfs/dbraw/zinc/81/26/80/1344812680.db2.gz LXOFIJVBIXKRTI-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039133895 1344812683 /nfs/dbraw/zinc/81/26/83/1344812683.db2.gz LXOFIJVBIXKRTI-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039152949 1344836728 /nfs/dbraw/zinc/83/67/28/1344836728.db2.gz MCSJWKOAPQULRG-YSIASYRMSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039152949 1344836731 /nfs/dbraw/zinc/83/67/31/1344836731.db2.gz MCSJWKOAPQULRG-YSIASYRMSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039152949 1344836736 /nfs/dbraw/zinc/83/67/36/1344836736.db2.gz MCSJWKOAPQULRG-YSIASYRMSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167566 1344854741 /nfs/dbraw/zinc/85/47/41/1344854741.db2.gz XSFZZQSMCMAHJB-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC001039167566 1344854744 /nfs/dbraw/zinc/85/47/44/1344854744.db2.gz XSFZZQSMCMAHJB-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC001039167566 1344854746 /nfs/dbraw/zinc/85/47/46/1344854746.db2.gz XSFZZQSMCMAHJB-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039233833 1344954383 /nfs/dbraw/zinc/95/43/83/1344954383.db2.gz FIUZCWXOGFHXCO-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039233833 1344954384 /nfs/dbraw/zinc/95/43/84/1344954384.db2.gz FIUZCWXOGFHXCO-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001039387173 1345039747 /nfs/dbraw/zinc/03/97/47/1345039747.db2.gz WGMQSASVLZRYAE-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001039387173 1345039750 /nfs/dbraw/zinc/03/97/50/1345039750.db2.gz WGMQSASVLZRYAE-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001039387173 1345039752 /nfs/dbraw/zinc/03/97/52/1345039752.db2.gz WGMQSASVLZRYAE-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001039401965 1345048428 /nfs/dbraw/zinc/04/84/28/1345048428.db2.gz YSZVAZXCSIIAQL-MSOLQXFVSA-N 2 1 340.471 3.059 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039474330 1345089178 /nfs/dbraw/zinc/08/91/78/1345089178.db2.gz BTQVKDKQWGLUNK-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3C[C@H](C)CC)C1 ZINC001039861133 1345217314 /nfs/dbraw/zinc/21/73/14/1345217314.db2.gz XMRBIORCVVOPSK-WCIQWLHISA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C[C@H](C)CC)C1 ZINC001039861133 1345217317 /nfs/dbraw/zinc/21/73/17/1345217317.db2.gz XMRBIORCVVOPSK-WCIQWLHISA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C[C@H](C)CC)C1 ZINC001039861133 1345217320 /nfs/dbraw/zinc/21/73/20/1345217320.db2.gz XMRBIORCVVOPSK-WCIQWLHISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001040014975 1345288351 /nfs/dbraw/zinc/28/83/51/1345288351.db2.gz VJBGWHPHMFMTGP-CADBVGFASA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040202049 1345373459 /nfs/dbraw/zinc/37/34/59/1345373459.db2.gz PGGLUEMRAYEZSL-TZIWHRDSSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202049 1345373463 /nfs/dbraw/zinc/37/34/63/1345373463.db2.gz PGGLUEMRAYEZSL-TZIWHRDSSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202049 1345373467 /nfs/dbraw/zinc/37/34/67/1345373467.db2.gz PGGLUEMRAYEZSL-TZIWHRDSSA-N 2 1 347.547 3.140 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040370126 1345459332 /nfs/dbraw/zinc/45/93/32/1345459332.db2.gz XDGUZMJXEFXICC-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545931 1345540471 /nfs/dbraw/zinc/54/04/71/1345540471.db2.gz YUEJOUSYJPQQIA-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC=C(C)C)CC2 ZINC001040725098 1345571468 /nfs/dbraw/zinc/57/14/68/1345571468.db2.gz XGBCEEVPNBIAAH-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC001040947921 1345607918 /nfs/dbraw/zinc/60/79/18/1345607918.db2.gz IBARJEMGYWIMNZ-LJQANCHMSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[NH+]1CCC2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC001040947919 1345607932 /nfs/dbraw/zinc/60/79/32/1345607932.db2.gz IBARJEMGYWIMNZ-IBGZPJMESA-N 2 1 343.515 3.012 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001041673677 1345818308 /nfs/dbraw/zinc/81/83/08/1345818308.db2.gz ZFNHQPDUDZFUDJ-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001041673677 1345818311 /nfs/dbraw/zinc/81/83/11/1345818311.db2.gz ZFNHQPDUDZFUDJ-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CCC3=CCCCC3)C2)C1)[NH+](C)C ZINC001041688321 1345820412 /nfs/dbraw/zinc/82/04/12/1345820412.db2.gz UHWSKERSOIHNCK-FPOVZHCZSA-N 2 1 347.547 3.142 20 0 EGADMP CCCC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042254323 1346006870 /nfs/dbraw/zinc/00/68/70/1346006870.db2.gz KMRDHXKHNWEFJD-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042254323 1346006872 /nfs/dbraw/zinc/00/68/72/1346006872.db2.gz KMRDHXKHNWEFJD-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042297103 1346021590 /nfs/dbraw/zinc/02/15/90/1346021590.db2.gz LYRVNTCLJMIEMH-QUCCMNQESA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001044005703 1346232787 /nfs/dbraw/zinc/23/27/87/1346232787.db2.gz ZBVXDHPFKVZUHD-HXUWFJFHSA-N 2 1 343.515 3.012 20 0 EGADMP Cc1cc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@H](C)C2)cs1 ZINC001044630786 1346388074 /nfs/dbraw/zinc/38/80/74/1346388074.db2.gz YXFXOSIAAKYARK-PBHICJAKSA-N 2 1 349.544 3.010 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1)C1CCC1 ZINC001045070685 1346489640 /nfs/dbraw/zinc/48/96/40/1346489640.db2.gz QZGZGTGGGWIOSK-IBGZPJMESA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CC2CCCCCC2)CC1 ZINC001045388502 1346580445 /nfs/dbraw/zinc/58/04/45/1346580445.db2.gz BCIATKCXRGTNSF-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCC(C)(NC(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC001045390268 1346580690 /nfs/dbraw/zinc/58/06/90/1346580690.db2.gz PQOAASARMVAOGG-IEBWSBKVSA-N 2 1 343.515 3.121 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CCC2CCCCCC2)CC1 ZINC001045390997 1346580757 /nfs/dbraw/zinc/58/07/57/1346580757.db2.gz YLUAHZIXFYDUGS-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)C1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCC2CCCC2)CCC1 ZINC001045792439 1346699498 /nfs/dbraw/zinc/69/94/98/1346699498.db2.gz BVNHAINXQIMFJJ-MOPGFXCFSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001045941653 1346777195 /nfs/dbraw/zinc/77/71/95/1346777195.db2.gz KRHKZEUITPXBKR-OAQYLSRUSA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943493 1346778996 /nfs/dbraw/zinc/77/89/96/1346778996.db2.gz JIWDLAUUAWEQBF-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943495 1346779003 /nfs/dbraw/zinc/77/90/03/1346779003.db2.gz JIWDLAUUAWEQBF-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943468 1346779290 /nfs/dbraw/zinc/77/92/90/1346779290.db2.gz IWOSMCTXPSFHGX-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001045943468 1346779292 /nfs/dbraw/zinc/77/92/92/1346779292.db2.gz IWOSMCTXPSFHGX-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001045943468 1346779295 /nfs/dbraw/zinc/77/92/95/1346779295.db2.gz IWOSMCTXPSFHGX-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001045948636 1346784045 /nfs/dbraw/zinc/78/40/45/1346784045.db2.gz NCHFHGTZVKBZCX-PZJWPPBQSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045948636 1346784048 /nfs/dbraw/zinc/78/40/48/1346784048.db2.gz NCHFHGTZVKBZCX-PZJWPPBQSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045948636 1346784049 /nfs/dbraw/zinc/78/40/49/1346784049.db2.gz NCHFHGTZVKBZCX-PZJWPPBQSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1)[NH+](C)C ZINC001045967030 1346802271 /nfs/dbraw/zinc/80/22/71/1346802271.db2.gz LJPRXUNXHVJHPP-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](CCC3CCCC3)C2)C1 ZINC001046368446 1346952319 /nfs/dbraw/zinc/95/23/19/1346952319.db2.gz CHGLKZGSSSEBIB-FPOVZHCZSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCC3CCCC3)C2)C1 ZINC001046368446 1346952321 /nfs/dbraw/zinc/95/23/21/1346952321.db2.gz CHGLKZGSSSEBIB-FPOVZHCZSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001046368446 1346952323 /nfs/dbraw/zinc/95/23/23/1346952323.db2.gz CHGLKZGSSSEBIB-FPOVZHCZSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046483424 1346990826 /nfs/dbraw/zinc/99/08/26/1346990826.db2.gz AANGHQYNHYOKLW-IIBYNOLFSA-N 2 1 348.450 3.290 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@]2(C)CC[NH+](CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001046569886 1347022284 /nfs/dbraw/zinc/02/22/84/1347022284.db2.gz PPTMUNKBFPTHSQ-HFSMHLIXSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001046569886 1347022285 /nfs/dbraw/zinc/02/22/85/1347022285.db2.gz PPTMUNKBFPTHSQ-HFSMHLIXSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001046569886 1347022286 /nfs/dbraw/zinc/02/22/86/1347022286.db2.gz PPTMUNKBFPTHSQ-HFSMHLIXSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C3CC[NH+](C(C)C)CC3)C2)CC[N@H+]1C ZINC001047241072 1347266867 /nfs/dbraw/zinc/26/68/67/1347266867.db2.gz KKNKSLNZZAWRDA-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001047244413 1347269695 /nfs/dbraw/zinc/26/96/95/1347269695.db2.gz RJLQHJZTHXZBTH-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047265998 1347286819 /nfs/dbraw/zinc/28/68/19/1347286819.db2.gz NNIZECVKBWMACM-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC001047863395 1347393362 /nfs/dbraw/zinc/39/33/62/1347393362.db2.gz CUXVOGSSWNOSSX-SJLPKXTDSA-N 2 1 346.519 3.139 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700587 1357350852 /nfs/dbraw/zinc/35/08/52/1357350852.db2.gz FBGZODUGHCLZNK-WSTZPKSXSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001079700587 1357350854 /nfs/dbraw/zinc/35/08/54/1357350854.db2.gz FBGZODUGHCLZNK-WSTZPKSXSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001079700587 1357350857 /nfs/dbraw/zinc/35/08/57/1357350857.db2.gz FBGZODUGHCLZNK-WSTZPKSXSA-N 2 1 347.547 3.044 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001048530759 1347579640 /nfs/dbraw/zinc/57/96/40/1347579640.db2.gz AZCMERQOFLNJAY-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001048530759 1347579642 /nfs/dbraw/zinc/57/96/42/1347579642.db2.gz AZCMERQOFLNJAY-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001048530759 1347579644 /nfs/dbraw/zinc/57/96/44/1347579644.db2.gz AZCMERQOFLNJAY-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048574187 1347599928 /nfs/dbraw/zinc/59/99/28/1347599928.db2.gz RRYGYJINMDEHCC-UHZRXMQZSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[N@@H+]31)C2 ZINC001048574187 1347599931 /nfs/dbraw/zinc/59/99/31/1347599931.db2.gz RRYGYJINMDEHCC-UHZRXMQZSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)C2 ZINC001048574187 1347599933 /nfs/dbraw/zinc/59/99/33/1347599933.db2.gz RRYGYJINMDEHCC-UHZRXMQZSA-N 2 1 347.547 3.019 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC ZINC001048584188 1347606546 /nfs/dbraw/zinc/60/65/46/1347606546.db2.gz VNIUUEUXWACQBN-RDGPPVDQSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC ZINC001048584188 1347606549 /nfs/dbraw/zinc/60/65/49/1347606549.db2.gz VNIUUEUXWACQBN-RDGPPVDQSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC ZINC001048584188 1347606550 /nfs/dbraw/zinc/60/65/50/1347606550.db2.gz VNIUUEUXWACQBN-RDGPPVDQSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC=C(C)C ZINC001048589984 1347609101 /nfs/dbraw/zinc/60/91/01/1347609101.db2.gz GRYZTBONPSWTTB-YRPNKDGESA-N 2 1 347.547 3.186 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C ZINC001048589984 1347609102 /nfs/dbraw/zinc/60/91/02/1347609102.db2.gz GRYZTBONPSWTTB-YRPNKDGESA-N 2 1 347.547 3.186 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001048589984 1347609103 /nfs/dbraw/zinc/60/91/03/1347609103.db2.gz GRYZTBONPSWTTB-YRPNKDGESA-N 2 1 347.547 3.186 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC2=CCCCC2)CCC1 ZINC001049518791 1347888284 /nfs/dbraw/zinc/88/82/84/1347888284.db2.gz VTZFSHYLIQIHRF-RBUKOAKNSA-N 2 1 345.531 3.036 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCCC1)C1CCC1 ZINC001049522037 1347889859 /nfs/dbraw/zinc/88/98/59/1347889859.db2.gz NZQVGUNHAZFFKA-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCCC1)C1CCC1 ZINC001049522037 1347889862 /nfs/dbraw/zinc/88/98/62/1347889862.db2.gz NZQVGUNHAZFFKA-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCCC1)C1CCC1 ZINC001049522037 1347889865 /nfs/dbraw/zinc/88/98/65/1347889865.db2.gz NZQVGUNHAZFFKA-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCCC1)[NH+](C)C ZINC001049531589 1347894678 /nfs/dbraw/zinc/89/46/78/1347894678.db2.gz CJWWGGVJGBMRRH-AABGKKOBSA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049561535 1347910021 /nfs/dbraw/zinc/91/00/21/1347910021.db2.gz MLFRZURVPLTFTQ-OALUTQOASA-N 2 1 340.471 3.122 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589747 1347925457 /nfs/dbraw/zinc/92/54/57/1347925457.db2.gz BNCFZXPPUGTXGS-RBUKOAKNSA-N 2 1 340.471 3.059 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCC(C)C)C1 ZINC001049661961 1347961276 /nfs/dbraw/zinc/96/12/76/1347961276.db2.gz CNFQCKAZIYFIRC-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCC(C)C)C1 ZINC001049661961 1347961277 /nfs/dbraw/zinc/96/12/77/1347961277.db2.gz CNFQCKAZIYFIRC-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCC(C)C)C1 ZINC001049661961 1347961278 /nfs/dbraw/zinc/96/12/78/1347961278.db2.gz CNFQCKAZIYFIRC-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCC(C)C)C1 ZINC001049661968 1347961533 /nfs/dbraw/zinc/96/15/33/1347961533.db2.gz CNFQCKAZIYFIRC-ZCNNSNEGSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCC(C)C)C1 ZINC001049661968 1347961535 /nfs/dbraw/zinc/96/15/35/1347961535.db2.gz CNFQCKAZIYFIRC-ZCNNSNEGSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCC(C)C)C1 ZINC001049661968 1347961536 /nfs/dbraw/zinc/96/15/36/1347961536.db2.gz CNFQCKAZIYFIRC-ZCNNSNEGSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716670 1347989010 /nfs/dbraw/zinc/98/90/10/1347989010.db2.gz GDRIROBDHWURPA-ROUUACIJSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049716670 1347989011 /nfs/dbraw/zinc/98/90/11/1347989011.db2.gz GDRIROBDHWURPA-ROUUACIJSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049716670 1347989013 /nfs/dbraw/zinc/98/90/13/1347989013.db2.gz GDRIROBDHWURPA-ROUUACIJSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763753 1348008810 /nfs/dbraw/zinc/00/88/10/1348008810.db2.gz XWYRPEDSACPXTK-ZWKOTPCHSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763753 1348008813 /nfs/dbraw/zinc/00/88/13/1348008813.db2.gz XWYRPEDSACPXTK-ZWKOTPCHSA-N 2 1 346.519 3.118 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806978 1348029239 /nfs/dbraw/zinc/02/92/39/1348029239.db2.gz QIQFBDXDTBQXTD-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCCCC1 ZINC001049892797 1348096348 /nfs/dbraw/zinc/09/63/48/1348096348.db2.gz AHIBCXHTUCKTLU-UXHICEINSA-N 2 1 347.547 3.118 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049919393 1348112990 /nfs/dbraw/zinc/11/29/90/1348112990.db2.gz OVLHACQPTKDIPG-VAMGGRTRSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001049919393 1348112993 /nfs/dbraw/zinc/11/29/93/1348112993.db2.gz OVLHACQPTKDIPG-VAMGGRTRSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001049919393 1348112995 /nfs/dbraw/zinc/11/29/95/1348112995.db2.gz OVLHACQPTKDIPG-VAMGGRTRSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]21)[NH+](C)C ZINC001050074561 1348173137 /nfs/dbraw/zinc/17/31/37/1348173137.db2.gz LLJISAODRRHHCW-IJXRJRJASA-N 2 1 343.515 3.011 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050138500 1348194032 /nfs/dbraw/zinc/19/40/32/1348194032.db2.gz GYRHGHYUWWZXME-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050138500 1348194033 /nfs/dbraw/zinc/19/40/33/1348194033.db2.gz GYRHGHYUWWZXME-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050138500 1348194036 /nfs/dbraw/zinc/19/40/36/1348194036.db2.gz GYRHGHYUWWZXME-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]([NH2+]CC1CC1)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001050270765 1348224341 /nfs/dbraw/zinc/22/43/41/1348224341.db2.gz YTMFIBDGZCESLH-FTRWYGJKSA-N 2 1 343.515 3.094 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC001050367234 1348240504 /nfs/dbraw/zinc/24/05/04/1348240504.db2.gz JKPJYODEHOKXEV-LNLFQRSKSA-N 2 1 349.563 3.029 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CCC2)CC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001052447539 1348543797 /nfs/dbraw/zinc/54/37/97/1348543797.db2.gz GZIRPSZXLXSBMB-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CC2CCC2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001052447539 1348543799 /nfs/dbraw/zinc/54/37/99/1348543799.db2.gz GZIRPSZXLXSBMB-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CC2CCC2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001052447539 1348543802 /nfs/dbraw/zinc/54/38/02/1348543802.db2.gz GZIRPSZXLXSBMB-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052446996 1348543862 /nfs/dbraw/zinc/54/38/62/1348543862.db2.gz VHBPSLJLTLXJLZ-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052446996 1348543865 /nfs/dbraw/zinc/54/38/65/1348543865.db2.gz VHBPSLJLTLXJLZ-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052446996 1348543867 /nfs/dbraw/zinc/54/38/67/1348543867.db2.gz VHBPSLJLTLXJLZ-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052758119 1348666054 /nfs/dbraw/zinc/66/60/54/1348666054.db2.gz QZUDEJXFHPWDEZ-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052758119 1348666057 /nfs/dbraw/zinc/66/60/57/1348666057.db2.gz QZUDEJXFHPWDEZ-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001052764716 1348669403 /nfs/dbraw/zinc/66/94/03/1348669403.db2.gz RJXUAROYFGSULW-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C/C=C\Cl)CC2)cc1 ZINC001052787040 1348679542 /nfs/dbraw/zinc/67/95/42/1348679542.db2.gz HEOUTIGROVARQS-VZCJILNPSA-N 2 1 349.906 3.085 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CCCCCC2)CC1)C12CC[NH+](CC1)C2 ZINC001052872021 1348712881 /nfs/dbraw/zinc/71/28/81/1348712881.db2.gz ULEPMQSLTBVJOX-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CC3CCC(C)(C)CC3)CC2)C1 ZINC001052933771 1348754390 /nfs/dbraw/zinc/75/43/90/1348754390.db2.gz FNCCHNROFPHJQQ-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](CC3CCC(C)(C)CC3)CC2)C1 ZINC001052933771 1348754392 /nfs/dbraw/zinc/75/43/92/1348754392.db2.gz FNCCHNROFPHJQQ-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC3CCC(C)(C)CC3)CC2)C1 ZINC001052933771 1348754394 /nfs/dbraw/zinc/75/43/94/1348754394.db2.gz FNCCHNROFPHJQQ-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052956562 1348770422 /nfs/dbraw/zinc/77/04/22/1348770422.db2.gz UUJGMVMDVTYBKD-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052956562 1348770425 /nfs/dbraw/zinc/77/04/25/1348770425.db2.gz UUJGMVMDVTYBKD-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052956562 1348770427 /nfs/dbraw/zinc/77/04/27/1348770427.db2.gz UUJGMVMDVTYBKD-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052956873 1348770759 /nfs/dbraw/zinc/77/07/59/1348770759.db2.gz BDJVHZNLKNHVGN-SFHVURJKSA-N 2 1 331.504 3.133 20 0 EGADMP CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC2CCCCC2)CC1 ZINC001052983698 1348788786 /nfs/dbraw/zinc/78/87/86/1348788786.db2.gz CQOOEFPGMRIMNA-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053046362 1348848518 /nfs/dbraw/zinc/84/85/18/1348848518.db2.gz JMWMHTDLLIDSHC-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159457 1349161221 /nfs/dbraw/zinc/16/12/21/1349161221.db2.gz VSWNPXXMLJNQEO-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159457 1349161223 /nfs/dbraw/zinc/16/12/23/1349161223.db2.gz VSWNPXXMLJNQEO-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159457 1349161226 /nfs/dbraw/zinc/16/12/26/1349161226.db2.gz VSWNPXXMLJNQEO-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@]3(CC[NH+](CC(C)C)C3)C2)C1 ZINC001054182930 1349185966 /nfs/dbraw/zinc/18/59/66/1349185966.db2.gz UOIVWNGJNNVRKX-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@@]3(CC[N@H+](CC(C)C)C3)C2)C1 ZINC001054182930 1349185971 /nfs/dbraw/zinc/18/59/71/1349185971.db2.gz UOIVWNGJNNVRKX-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@@]3(CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001054182930 1349185973 /nfs/dbraw/zinc/18/59/73/1349185973.db2.gz UOIVWNGJNNVRKX-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001054214198 1349214320 /nfs/dbraw/zinc/21/43/20/1349214320.db2.gz SXDHPHNIMJBNTB-NRFANRHFSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001054242456 1349235672 /nfs/dbraw/zinc/23/56/72/1349235672.db2.gz AKCJGQQRYYDQMJ-OAQYLSRUSA-N 2 1 343.515 3.085 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001054244577 1349238669 /nfs/dbraw/zinc/23/86/69/1349238669.db2.gz HHAMBSMXUJLYMZ-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001054244577 1349238673 /nfs/dbraw/zinc/23/86/73/1349238673.db2.gz HHAMBSMXUJLYMZ-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCC(C)C)C2)C1 ZINC001054244577 1349238675 /nfs/dbraw/zinc/23/86/75/1349238675.db2.gz HHAMBSMXUJLYMZ-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2C1 ZINC001054270495 1349269201 /nfs/dbraw/zinc/26/92/01/1349269201.db2.gz PFPKAPUKZJMXQB-OXJNMPFZSA-N 2 1 343.515 3.149 20 0 EGADMP CC[C@H](C)C[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C)cc2C1 ZINC001054270495 1349269203 /nfs/dbraw/zinc/26/92/03/1349269203.db2.gz PFPKAPUKZJMXQB-OXJNMPFZSA-N 2 1 343.515 3.149 20 0 EGADMP CC[C@H](C)C[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@H+]3C)cc2C1 ZINC001054270495 1349269206 /nfs/dbraw/zinc/26/92/06/1349269206.db2.gz PFPKAPUKZJMXQB-OXJNMPFZSA-N 2 1 343.515 3.149 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)cc2C1 ZINC001054290009 1349294550 /nfs/dbraw/zinc/29/45/50/1349294550.db2.gz YNVIYHBTYZSVHY-PXNSSMCTSA-N 2 1 343.515 3.149 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001054297552 1349301726 /nfs/dbraw/zinc/30/17/26/1349301726.db2.gz RDEHJBVOWAGAES-SXLOBPIMSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001080329870 1357575118 /nfs/dbraw/zinc/57/51/18/1357575118.db2.gz ULNXHHOMUKUMGP-LCLWPZTBSA-N 2 1 347.547 3.044 20 0 EGADMP C[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001080329870 1357575121 /nfs/dbraw/zinc/57/51/21/1357575121.db2.gz ULNXHHOMUKUMGP-LCLWPZTBSA-N 2 1 347.547 3.044 20 0 EGADMP C[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001080329870 1357575123 /nfs/dbraw/zinc/57/51/23/1357575123.db2.gz ULNXHHOMUKUMGP-LCLWPZTBSA-N 2 1 347.547 3.044 20 0 EGADMP CCC[N@H+](Cc1cc(Br)cc(OC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236844656 1376965177 /nfs/dbraw/zinc/96/51/77/1376965177.db2.gz XGPWARAXBXWKLN-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554541 1357677136 /nfs/dbraw/zinc/67/71/36/1357677136.db2.gz VAFMXWXKLUOJAL-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554600 1357677327 /nfs/dbraw/zinc/67/73/27/1357677327.db2.gz XKNQSIBIZNEKJY-ZHALLVOQSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558885 1357678696 /nfs/dbraw/zinc/67/86/96/1357678696.db2.gz JQGYELFRYXEUOQ-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC(C)(C)C)C1 ZINC001183082207 1387259520 /nfs/dbraw/zinc/25/95/20/1387259520.db2.gz NOKKSSJWIXPJCS-YLJYHZDGSA-N 2 1 339.568 3.229 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001080756025 1357733671 /nfs/dbraw/zinc/73/36/71/1357733671.db2.gz GINIMNPOTRZZQA-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001080756025 1357733672 /nfs/dbraw/zinc/73/36/72/1357733672.db2.gz GINIMNPOTRZZQA-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001080756025 1357733675 /nfs/dbraw/zinc/73/36/75/1357733675.db2.gz GINIMNPOTRZZQA-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[N@@H+]1CCC1CC1 ZINC001071546957 1354758930 /nfs/dbraw/zinc/75/89/30/1354758930.db2.gz PFSAPAWDLMZTKU-WMLDXEAASA-N 2 1 349.544 3.193 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[N@H+]1CCC1CC1 ZINC001071546957 1354758931 /nfs/dbraw/zinc/75/89/31/1354758931.db2.gz PFSAPAWDLMZTKU-WMLDXEAASA-N 2 1 349.544 3.193 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[N@H+]1CC1CCCC1 ZINC001071600060 1354787707 /nfs/dbraw/zinc/78/77/07/1354787707.db2.gz FMGJMLMVCDUGEU-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[N@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001071701668 1354859959 /nfs/dbraw/zinc/85/99/59/1354859959.db2.gz MCTBZGGUIHDFON-IEBWSBKVSA-N 2 1 345.531 3.029 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1=CCCCC1 ZINC001089200216 1360247486 /nfs/dbraw/zinc/24/74/86/1360247486.db2.gz FPXRSDCCQOKCAL-IBGZPJMESA-N 2 1 344.503 3.005 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1=CCCCC1 ZINC001089200216 1360247490 /nfs/dbraw/zinc/24/74/90/1360247490.db2.gz FPXRSDCCQOKCAL-IBGZPJMESA-N 2 1 344.503 3.005 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CC1CCCCC1 ZINC001071735337 1354887013 /nfs/dbraw/zinc/88/70/13/1354887013.db2.gz KNISQLFONWMKFL-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CC1CC(C)(C)C1 ZINC001071735086 1354887685 /nfs/dbraw/zinc/88/76/85/1354887685.db2.gz GBYJPHIXJXNZDI-WMZOPIPTSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001071868457 1354994230 /nfs/dbraw/zinc/99/42/30/1354994230.db2.gz JYTPJWKGYPEFDD-IRXDYDNUSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC(C)(C)C)C1 ZINC001071868457 1354994234 /nfs/dbraw/zinc/99/42/34/1354994234.db2.gz JYTPJWKGYPEFDD-IRXDYDNUSA-N 2 1 348.535 3.412 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@H+]1CC1CCC1 ZINC001071898197 1355013876 /nfs/dbraw/zinc/01/38/76/1355013876.db2.gz XATBZTBTOBPEAZ-OXQOHEQNSA-N 2 1 343.515 3.131 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[N@H+]1CCC1CCCCC1 ZINC001071996835 1355065790 /nfs/dbraw/zinc/06/57/90/1355065790.db2.gz VMKGPACHWPOVEX-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001072085592 1355120733 /nfs/dbraw/zinc/12/07/33/1355120733.db2.gz VYZMEVYKPOIKFJ-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001072085592 1355120734 /nfs/dbraw/zinc/12/07/34/1355120734.db2.gz VYZMEVYKPOIKFJ-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC3(C2)CC[NH+](CC(CC)CC)C3)C1 ZINC001072907782 1355491611 /nfs/dbraw/zinc/49/16/11/1355491611.db2.gz YGBWRJDAZWCEKE-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(CC)CC)C3)C1 ZINC001072907782 1355491615 /nfs/dbraw/zinc/49/16/15/1355491615.db2.gz YGBWRJDAZWCEKE-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(CC)CC)C3)C1 ZINC001072907782 1355491619 /nfs/dbraw/zinc/49/16/19/1355491619.db2.gz YGBWRJDAZWCEKE-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)C2 ZINC001073033416 1355561898 /nfs/dbraw/zinc/56/18/98/1355561898.db2.gz LHLFOEZIWULXOD-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2 ZINC001073033416 1355561899 /nfs/dbraw/zinc/56/18/99/1355561899.db2.gz LHLFOEZIWULXOD-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2 ZINC001073033416 1355561901 /nfs/dbraw/zinc/56/19/01/1355561901.db2.gz LHLFOEZIWULXOD-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001074050515 1356054498 /nfs/dbraw/zinc/05/44/98/1356054498.db2.gz GGILOQSQNHCNIF-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001074050515 1356054500 /nfs/dbraw/zinc/05/45/00/1356054500.db2.gz GGILOQSQNHCNIF-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001074050515 1356054502 /nfs/dbraw/zinc/05/45/02/1356054502.db2.gz GGILOQSQNHCNIF-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@H]2C)c1 ZINC001074809668 1356249573 /nfs/dbraw/zinc/24/95/73/1356249573.db2.gz YAQQVJQJMFKWBG-ZULIPRJHSA-N 2 1 343.515 3.119 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)[C@@H]1C ZINC001074878003 1356276930 /nfs/dbraw/zinc/27/69/30/1356276930.db2.gz VXCNKMZRGDVGRZ-AOIWGVFYSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461519 1356395379 /nfs/dbraw/zinc/39/53/79/1356395379.db2.gz JZQJAWUUQXHZSD-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461519 1356395381 /nfs/dbraw/zinc/39/53/81/1356395381.db2.gz JZQJAWUUQXHZSD-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461519 1356395385 /nfs/dbraw/zinc/39/53/85/1356395385.db2.gz JZQJAWUUQXHZSD-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1=CCCCC1)[NH+](C)C ZINC001099126398 1363639161 /nfs/dbraw/zinc/63/91/61/1363639161.db2.gz RVPTWUPQICFVRA-RTBURBONSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001082612437 1358066027 /nfs/dbraw/zinc/06/60/27/1358066027.db2.gz NWWJQDWAPMSHCC-RLLQIKCJSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC(C)(C)C)C1 ZINC001183517018 1387316042 /nfs/dbraw/zinc/31/60/42/1387316042.db2.gz KTVMGOJYVMEHJZ-YLJYHZDGSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCCCCC3)C[C@H]21)[NH+](C)C ZINC001084639553 1358265615 /nfs/dbraw/zinc/26/56/15/1358265615.db2.gz XHCVTZFNOJOIML-VAMGGRTRSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCCC3CCC3)[C@H]2C1)[NH+](C)C ZINC001085025367 1358370836 /nfs/dbraw/zinc/37/08/36/1358370836.db2.gz WMCHCJZZHONXDV-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(C)C)[C@H]2C1 ZINC001085072755 1358383826 /nfs/dbraw/zinc/38/38/26/1358383826.db2.gz SXVFFWCQRGGDJY-AABGKKOBSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(C)C)[C@H]2C1 ZINC001085072755 1358383827 /nfs/dbraw/zinc/38/38/27/1358383827.db2.gz SXVFFWCQRGGDJY-AABGKKOBSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(C)C)[C@H]2C1 ZINC001085072755 1358383829 /nfs/dbraw/zinc/38/38/29/1358383829.db2.gz SXVFFWCQRGGDJY-AABGKKOBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC001085352363 1358475986 /nfs/dbraw/zinc/47/59/86/1358475986.db2.gz DEWMHUHEIHGJQX-GUDVDZBRSA-N 2 1 335.536 3.066 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085352293 1358476074 /nfs/dbraw/zinc/47/60/74/1358476074.db2.gz AMBYYAPDJHCDGB-AQNXPRMDSA-N 2 1 349.563 3.457 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCCC2)C1 ZINC001085394215 1358487600 /nfs/dbraw/zinc/48/76/00/1358487600.db2.gz ZZXKWDJBAHAVSA-VAMGGRTRSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001085432934 1358498158 /nfs/dbraw/zinc/49/81/58/1358498158.db2.gz XLZCIZHUWXBOCD-QRVBRYPASA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001085593575 1358620130 /nfs/dbraw/zinc/62/01/30/1358620130.db2.gz MITYCVHQGLFQLY-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001085593575 1358620134 /nfs/dbraw/zinc/62/01/34/1358620134.db2.gz MITYCVHQGLFQLY-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCCC1 ZINC001085593575 1358620137 /nfs/dbraw/zinc/62/01/37/1358620137.db2.gz MITYCVHQGLFQLY-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCCC2CCC2)C1 ZINC001085778941 1358753453 /nfs/dbraw/zinc/75/34/53/1358753453.db2.gz KMINZHQYFMRBJR-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCCC2CCC2)C1 ZINC001085778941 1358753456 /nfs/dbraw/zinc/75/34/56/1358753456.db2.gz KMINZHQYFMRBJR-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCCC2CCC2)C1 ZINC001085778941 1358753461 /nfs/dbraw/zinc/75/34/61/1358753461.db2.gz KMINZHQYFMRBJR-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085782251 1358757404 /nfs/dbraw/zinc/75/74/04/1358757404.db2.gz PXKIOPPZIPGZRB-RTBURBONSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782251 1358757407 /nfs/dbraw/zinc/75/74/07/1358757407.db2.gz PXKIOPPZIPGZRB-RTBURBONSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782251 1358757408 /nfs/dbraw/zinc/75/74/08/1358757408.db2.gz PXKIOPPZIPGZRB-RTBURBONSA-N 2 1 335.536 3.116 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2CCCCCC2)CC[N@H+]1C ZINC001085783119 1358758033 /nfs/dbraw/zinc/75/80/33/1358758033.db2.gz NCHOQVVMZMSTPS-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC2CCCCCC2)CC[NH+]1C ZINC001085783119 1358758036 /nfs/dbraw/zinc/75/80/36/1358758036.db2.gz NCHOQVVMZMSTPS-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC2CCCCCC2)CC[NH+]1C ZINC001085783119 1358758042 /nfs/dbraw/zinc/75/80/42/1358758042.db2.gz NCHOQVVMZMSTPS-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCC1CCCCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001085798837 1358774239 /nfs/dbraw/zinc/77/42/39/1358774239.db2.gz BMOMGSHTDIKSNQ-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001086221684 1359031810 /nfs/dbraw/zinc/03/18/10/1359031810.db2.gz FMVYAJQJJNDVOM-YRPNKDGESA-N 2 1 347.547 3.068 20 0 EGADMP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001086222100 1359031932 /nfs/dbraw/zinc/03/19/32/1359031932.db2.gz ZSUJKPIZVFKBMQ-WCIQWLHISA-N 2 1 347.547 3.068 20 0 EGADMP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001086399732 1359087462 /nfs/dbraw/zinc/08/74/62/1359087462.db2.gz KMEFKFOFDRQYFF-WTGUMLROSA-N 2 1 347.547 3.068 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001086558546 1359145030 /nfs/dbraw/zinc/14/50/30/1359145030.db2.gz AEHYXCADCNLQLF-VAMGGRTRSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086711866 1359190053 /nfs/dbraw/zinc/19/00/53/1359190053.db2.gz FOGFSOOYLJODLB-QXAKKESOSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CCCC3)C2)CC[N@H+]1C ZINC001086786280 1359201143 /nfs/dbraw/zinc/20/11/43/1359201143.db2.gz SVEJRCSAFUAXRS-FRYIKTPZSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](C[NH2+]CC2CCCC2)C1 ZINC001087176691 1359313457 /nfs/dbraw/zinc/31/34/57/1359313457.db2.gz LCESLOZBPVMULP-HOJAQTOUSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1CCC(C)(C)C ZINC001087621075 1359558625 /nfs/dbraw/zinc/55/86/25/1359558625.db2.gz HKEHVOWVOTZIGI-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[N@H+]1CC1CCC1 ZINC001087634436 1359564759 /nfs/dbraw/zinc/56/47/59/1359564759.db2.gz FIYFWPZKQGFMTD-RBUKOAKNSA-N 2 1 340.471 3.026 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1C/C=C\Cl ZINC001087762870 1359633154 /nfs/dbraw/zinc/63/31/54/1359633154.db2.gz RNEHAMWNWMCAEI-KIAIORRVSA-N 2 1 349.906 3.083 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC1CCCCCC1 ZINC001087829609 1359668559 /nfs/dbraw/zinc/66/85/59/1359668559.db2.gz NBDHTLBIEFCAOI-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC1CCCCCC1 ZINC001087829609 1359668565 /nfs/dbraw/zinc/66/85/65/1359668565.db2.gz NBDHTLBIEFCAOI-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1CC ZINC001087840986 1359674622 /nfs/dbraw/zinc/67/46/22/1359674622.db2.gz XTYDEHBQMNEUBP-FFZOFVMBSA-N 2 1 345.531 3.377 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001088395154 1359870928 /nfs/dbraw/zinc/87/09/28/1359870928.db2.gz YWZSYKNNPVDFIJ-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001088394786 1359871033 /nfs/dbraw/zinc/87/10/33/1359871033.db2.gz ONGRHUZUOIXGEX-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001088427290 1359895023 /nfs/dbraw/zinc/89/50/23/1359895023.db2.gz RXQCOAJMWFMETO-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001088431529 1359899514 /nfs/dbraw/zinc/89/95/14/1359899514.db2.gz YUKBLXKISPGWLD-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CC1CCC(C)CC1 ZINC001088702799 1360016204 /nfs/dbraw/zinc/01/62/04/1360016204.db2.gz JVPGWPUVPVSBLI-CHPDAQJUSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC(CC)CC)[C@@H]2C)C1 ZINC001088810069 1360059462 /nfs/dbraw/zinc/05/94/62/1360059462.db2.gz CPCOGUCGLFZTLY-NEWSRXKRSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CC(CC)CC)[C@@H]2C)C1 ZINC001088810069 1360059465 /nfs/dbraw/zinc/05/94/65/1360059465.db2.gz CPCOGUCGLFZTLY-NEWSRXKRSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(CC)CC)[C@@H]2C)C1 ZINC001088810069 1360059469 /nfs/dbraw/zinc/05/94/69/1360059469.db2.gz CPCOGUCGLFZTLY-NEWSRXKRSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCC2CCCCCC2)[C@@H]1C ZINC001089040898 1360145232 /nfs/dbraw/zinc/14/52/32/1360145232.db2.gz SISLMENYHFZEDK-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCCCC2)[C@@H]1C ZINC001089040898 1360145233 /nfs/dbraw/zinc/14/52/33/1360145233.db2.gz SISLMENYHFZEDK-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001089060987 1360152943 /nfs/dbraw/zinc/15/29/43/1360152943.db2.gz RGFDGWWRRLEGIB-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)[C@@H]1C ZINC001089060987 1360152948 /nfs/dbraw/zinc/15/29/48/1360152948.db2.gz RGFDGWWRRLEGIB-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)[C@@H]1C ZINC001089060987 1360152950 /nfs/dbraw/zinc/15/29/50/1360152950.db2.gz RGFDGWWRRLEGIB-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC2CCC2)C1 ZINC001089185232 1360235564 /nfs/dbraw/zinc/23/55/64/1360235564.db2.gz CPVRTMZWTRQANH-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CCCC[C@H]2C[N@H+](C)CC2CCC2)C1 ZINC001089185232 1360235565 /nfs/dbraw/zinc/23/55/65/1360235565.db2.gz CPVRTMZWTRQANH-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CCC2)C1 ZINC001089185232 1360235566 /nfs/dbraw/zinc/23/55/66/1360235566.db2.gz CPVRTMZWTRQANH-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccccc1C)[NH+](C)C ZINC001089192515 1360241175 /nfs/dbraw/zinc/24/11/75/1360241175.db2.gz YABQALNLBAYPPX-VQTJNVASSA-N 2 1 345.531 3.148 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CCCC2)CC1 ZINC001089245720 1360280528 /nfs/dbraw/zinc/28/05/28/1360280528.db2.gz GJFMEPVUPCWBRQ-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392495 1360392934 /nfs/dbraw/zinc/39/29/34/1360392934.db2.gz VPOHAMWEQXYXDJ-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392495 1360392939 /nfs/dbraw/zinc/39/29/39/1360392939.db2.gz VPOHAMWEQXYXDJ-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392495 1360392940 /nfs/dbraw/zinc/39/29/40/1360392940.db2.gz VPOHAMWEQXYXDJ-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407088 1360405295 /nfs/dbraw/zinc/40/52/95/1360405295.db2.gz VZMGYWTXQPPAAN-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089407088 1360405296 /nfs/dbraw/zinc/40/52/96/1360405296.db2.gz VZMGYWTXQPPAAN-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089407088 1360405298 /nfs/dbraw/zinc/40/52/98/1360405298.db2.gz VZMGYWTXQPPAAN-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089457560 1360444218 /nfs/dbraw/zinc/44/42/18/1360444218.db2.gz BGGVNDHEMLMTRY-SFHVURJKSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](CC2CCCC2)CC(C)(C)C1 ZINC001089492353 1360470133 /nfs/dbraw/zinc/47/01/33/1360470133.db2.gz HHWQINPZUYQSHV-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)CC(C)(C)C1 ZINC001089492353 1360470134 /nfs/dbraw/zinc/47/01/34/1360470134.db2.gz HHWQINPZUYQSHV-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)CC(C)(C)C1 ZINC001089492353 1360470136 /nfs/dbraw/zinc/47/01/36/1360470136.db2.gz HHWQINPZUYQSHV-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C(C)C)CC(C)(C)C1 ZINC001089511163 1360482706 /nfs/dbraw/zinc/48/27/06/1360482706.db2.gz NBUADDVUZUUUGS-MSOLQXFVSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C(C)C)CC(C)(C)C1 ZINC001089511163 1360482708 /nfs/dbraw/zinc/48/27/08/1360482708.db2.gz NBUADDVUZUUUGS-MSOLQXFVSA-N 2 1 337.552 3.265 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)Cc2[nH]cnc2C)CC(C)(C)C1 ZINC001089549385 1360502979 /nfs/dbraw/zinc/50/29/79/1360502979.db2.gz XOHNMEOVRRSXAL-KRWDZBQOSA-N 2 1 348.535 3.304 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC(C)(C)C ZINC001089616659 1360537081 /nfs/dbraw/zinc/53/70/81/1360537081.db2.gz MVYMPRSRFMMHQD-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C ZINC001089616659 1360537084 /nfs/dbraw/zinc/53/70/84/1360537084.db2.gz MVYMPRSRFMMHQD-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C ZINC001089616659 1360537087 /nfs/dbraw/zinc/53/70/87/1360537087.db2.gz MVYMPRSRFMMHQD-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089661448 1360572525 /nfs/dbraw/zinc/57/25/25/1360572525.db2.gz XBLNUZJAFAKPAH-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089661448 1360572527 /nfs/dbraw/zinc/57/25/27/1360572527.db2.gz XBLNUZJAFAKPAH-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001089661448 1360572529 /nfs/dbraw/zinc/57/25/29/1360572529.db2.gz XBLNUZJAFAKPAH-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001089661448 1360572530 /nfs/dbraw/zinc/57/25/30/1360572530.db2.gz XBLNUZJAFAKPAH-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001323814004 1387466311 /nfs/dbraw/zinc/46/63/11/1387466311.db2.gz WBSIXJNJWBXKLK-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001184577429 1387496787 /nfs/dbraw/zinc/49/67/87/1387496787.db2.gz MNTBWIWSUMQWMQ-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907288 1361484209 /nfs/dbraw/zinc/48/42/09/1361484209.db2.gz CKFMCJVWFFEXPZ-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907288 1361484210 /nfs/dbraw/zinc/48/42/10/1361484210.db2.gz CKFMCJVWFFEXPZ-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907288 1361484211 /nfs/dbraw/zinc/48/42/11/1361484211.db2.gz CKFMCJVWFFEXPZ-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CCC(C)(C)C)[C@@H](C)C1 ZINC001184714016 1387517517 /nfs/dbraw/zinc/51/75/17/1387517517.db2.gz VMUBVNDQJUXUCZ-DLBZAZTESA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001094950572 1361958272 /nfs/dbraw/zinc/95/82/72/1361958272.db2.gz LAWRLKMMJSOMNO-JZXOWHBKSA-N 2 1 335.536 3.017 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCC2)CC[N@H+]1C ZINC001095440977 1362142166 /nfs/dbraw/zinc/14/21/66/1362142166.db2.gz HQSYDKHJIYZLJV-CXQPBAHBSA-N 2 1 347.547 3.019 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCC2)CC[NH+]1C ZINC001095440977 1362142169 /nfs/dbraw/zinc/14/21/69/1362142169.db2.gz HQSYDKHJIYZLJV-CXQPBAHBSA-N 2 1 347.547 3.019 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCC2)CC[NH+]1C ZINC001095440977 1362142172 /nfs/dbraw/zinc/14/21/72/1362142172.db2.gz HQSYDKHJIYZLJV-CXQPBAHBSA-N 2 1 347.547 3.019 20 0 EGADMP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001096090699 1362378863 /nfs/dbraw/zinc/37/88/63/1362378863.db2.gz PXVTWOMMIIBGPS-SQNIBIBYSA-N 2 1 346.519 3.164 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001096090699 1362378869 /nfs/dbraw/zinc/37/88/69/1362378869.db2.gz PXVTWOMMIIBGPS-SQNIBIBYSA-N 2 1 346.519 3.164 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096605433 1362594146 /nfs/dbraw/zinc/59/41/46/1362594146.db2.gz OWGCYXGXFFXNHY-BEKAIBRUSA-N 2 1 343.515 3.129 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001097075432 1362834025 /nfs/dbraw/zinc/83/40/25/1362834025.db2.gz UJRGEWYAZNOPPE-TVFCKZIOSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NC2(C)CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001324334546 1387596599 /nfs/dbraw/zinc/59/65/99/1387596599.db2.gz LQQXQDJYMKSNFX-GOSISDBHSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001097220444 1362890661 /nfs/dbraw/zinc/89/06/61/1362890661.db2.gz RMLUGCDMAVGTMT-WTGUMLROSA-N 2 1 349.563 3.407 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097220444 1362890665 /nfs/dbraw/zinc/89/06/65/1362890665.db2.gz RMLUGCDMAVGTMT-WTGUMLROSA-N 2 1 349.563 3.407 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001097220444 1362890669 /nfs/dbraw/zinc/89/06/69/1362890669.db2.gz RMLUGCDMAVGTMT-WTGUMLROSA-N 2 1 349.563 3.407 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001097848231 1363140863 /nfs/dbraw/zinc/14/08/63/1363140863.db2.gz NEXBJMHXQWNFLP-NBYUQASBSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001097848231 1363140867 /nfs/dbraw/zinc/14/08/67/1363140867.db2.gz NEXBJMHXQWNFLP-NBYUQASBSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001097848231 1363140871 /nfs/dbraw/zinc/14/08/71/1363140871.db2.gz NEXBJMHXQWNFLP-NBYUQASBSA-N 2 1 347.547 3.163 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001185119193 1387623050 /nfs/dbraw/zinc/62/30/50/1387623050.db2.gz AJPREPZKTGHSRN-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185168605 1387631773 /nfs/dbraw/zinc/63/17/73/1387631773.db2.gz HTOZSXCJPDJZNH-ZWKOTPCHSA-N 2 1 339.568 3.085 20 0 EGADMP C[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCC1)C2)[NH+]1CCCCCC1 ZINC001099059949 1363600631 /nfs/dbraw/zinc/60/06/31/1363600631.db2.gz RKDFPEBTMONZCI-CUWPLCDZSA-N 2 1 347.547 3.022 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC ZINC001099080157 1363612002 /nfs/dbraw/zinc/61/20/02/1363612002.db2.gz NFHPZZRHNFZRFH-CVEARBPZSA-N 2 1 334.508 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099080157 1363612006 /nfs/dbraw/zinc/61/20/06/1363612006.db2.gz NFHPZZRHNFZRFH-CVEARBPZSA-N 2 1 334.508 3.023 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001099092823 1363618391 /nfs/dbraw/zinc/61/83/91/1363618391.db2.gz NUDXCKJHGWGNGK-FPOVZHCZSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110288 1363627664 /nfs/dbraw/zinc/62/76/64/1363627664.db2.gz AIUBZEKDKUVDRL-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099110288 1363627666 /nfs/dbraw/zinc/62/76/66/1363627666.db2.gz AIUBZEKDKUVDRL-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001099110288 1363627668 /nfs/dbraw/zinc/62/76/68/1363627668.db2.gz AIUBZEKDKUVDRL-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCCC1)C1CCC1 ZINC001099111362 1363629395 /nfs/dbraw/zinc/62/93/95/1363629395.db2.gz ZOSSTHIGCLGASJ-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1)C1CCC1 ZINC001099111362 1363629397 /nfs/dbraw/zinc/62/93/97/1363629397.db2.gz ZOSSTHIGCLGASJ-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCCC1)C1CCC1 ZINC001099111362 1363629400 /nfs/dbraw/zinc/62/94/00/1363629400.db2.gz ZOSSTHIGCLGASJ-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001099129884 1363641752 /nfs/dbraw/zinc/64/17/52/1363641752.db2.gz CTXMIKULILHTEP-SFHVURJKSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099164504 1363665314 /nfs/dbraw/zinc/66/53/14/1363665314.db2.gz DYRFBEREYARHCM-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001099172876 1363670748 /nfs/dbraw/zinc/67/07/48/1363670748.db2.gz BPAJLDHBHDRYNY-FPOVZHCZSA-N 2 1 343.515 3.133 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCF)[NH+](CC)CC ZINC001099228881 1363701971 /nfs/dbraw/zinc/70/19/71/1363701971.db2.gz CLROUXDCTLSRBB-IAGOWNOFSA-N 2 1 343.531 3.073 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(C)C)[NH+](CC)CC ZINC001099230982 1363704691 /nfs/dbraw/zinc/70/46/91/1363704691.db2.gz ZMLKTMBGHPHZCI-ROUUACIJSA-N 2 1 339.568 3.370 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C)[NH+](C)C ZINC001099239123 1363708469 /nfs/dbraw/zinc/70/84/69/1363708469.db2.gz AHNSVZPKVAAUCD-IRXDYDNUSA-N 2 1 339.568 3.370 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001099319578 1363747105 /nfs/dbraw/zinc/74/71/05/1363747105.db2.gz CDCPPFZOWLFDAT-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001099319578 1363747107 /nfs/dbraw/zinc/74/71/07/1363747107.db2.gz CDCPPFZOWLFDAT-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001099319578 1363747108 /nfs/dbraw/zinc/74/71/08/1363747108.db2.gz CDCPPFZOWLFDAT-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099551611 1363843828 /nfs/dbraw/zinc/84/38/28/1363843828.db2.gz ACRPRNQPBBIRAW-NMLBUPMWSA-N 2 1 349.563 3.076 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099551611 1363843831 /nfs/dbraw/zinc/84/38/31/1363843831.db2.gz ACRPRNQPBBIRAW-NMLBUPMWSA-N 2 1 349.563 3.076 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C(C)C ZINC001099551611 1363843835 /nfs/dbraw/zinc/84/38/35/1363843835.db2.gz ACRPRNQPBBIRAW-NMLBUPMWSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CCC[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001100406771 1364104221 /nfs/dbraw/zinc/10/42/21/1364104221.db2.gz LPNUACFAARQXND-CTWPCTMYSA-N 2 1 337.552 3.170 20 0 EGADMP CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001100599314 1364183640 /nfs/dbraw/zinc/18/36/40/1364183640.db2.gz RNECFZQDXVVIJD-JLAWEPINSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001100720607 1364234638 /nfs/dbraw/zinc/23/46/38/1364234638.db2.gz ZYBCMMYDFYZIPO-UHFFFAOYSA-N 2 1 346.519 3.071 20 0 EGADMP CC[C@H]([NH2+]C1CC(CNC(=O)CC[N@@H+](C)CC)C1)c1ccc(F)cc1 ZINC001100831390 1364282586 /nfs/dbraw/zinc/28/25/86/1364282586.db2.gz UNWKOTDGPAWESK-PPSBMQLTSA-N 2 1 349.494 3.103 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001101476425 1364575353 /nfs/dbraw/zinc/57/53/53/1364575353.db2.gz RZDVFMOXOUTAIR-SBHAEUEKSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001101476425 1364575358 /nfs/dbraw/zinc/57/53/58/1364575358.db2.gz RZDVFMOXOUTAIR-SBHAEUEKSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@]2(C)C1 ZINC001101476425 1364575362 /nfs/dbraw/zinc/57/53/62/1364575362.db2.gz RZDVFMOXOUTAIR-SBHAEUEKSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101474189 1364575382 /nfs/dbraw/zinc/57/53/82/1364575382.db2.gz LQLURUCZZVQKJU-CTNGQTDRSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001101541405 1364607551 /nfs/dbraw/zinc/60/75/51/1364607551.db2.gz DHGFRJVAHVHRDX-HKUYNNGSSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001101550632 1364613471 /nfs/dbraw/zinc/61/34/71/1364613471.db2.gz SJTDXWUYPPTYCZ-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001101574780 1364629164 /nfs/dbraw/zinc/62/91/64/1364629164.db2.gz CTDIUCHZCJDIEW-SFHVURJKSA-N 2 1 349.563 3.149 20 0 EGADMP CCCCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001101588572 1364639048 /nfs/dbraw/zinc/63/90/48/1364639048.db2.gz SMRYQDVQYGCUFF-UHFFFAOYSA-N 2 1 339.568 3.373 20 0 EGADMP CC(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001101597721 1364648821 /nfs/dbraw/zinc/64/88/21/1364648821.db2.gz YSRZAJSMORNJGM-UHFFFAOYSA-N 2 1 339.568 3.227 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102427506 1365049054 /nfs/dbraw/zinc/04/90/54/1365049054.db2.gz XUWPFPUCQMPNJY-PFRNKHFKSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102427506 1365049058 /nfs/dbraw/zinc/04/90/58/1365049058.db2.gz XUWPFPUCQMPNJY-PFRNKHFKSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001102427506 1365049062 /nfs/dbraw/zinc/04/90/62/1365049062.db2.gz XUWPFPUCQMPNJY-PFRNKHFKSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102427504 1365049581 /nfs/dbraw/zinc/04/95/81/1365049581.db2.gz XUWPFPUCQMPNJY-AHSYYPKJSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102427504 1365049585 /nfs/dbraw/zinc/04/95/85/1365049585.db2.gz XUWPFPUCQMPNJY-AHSYYPKJSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001102427504 1365049589 /nfs/dbraw/zinc/04/95/89/1365049589.db2.gz XUWPFPUCQMPNJY-AHSYYPKJSA-N 2 1 349.563 3.290 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1C ZINC001103157781 1365414408 /nfs/dbraw/zinc/41/44/08/1365414408.db2.gz CJXJGHFTCIWCBC-IAGOWNOFSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001103157781 1365414410 /nfs/dbraw/zinc/41/44/10/1365414410.db2.gz CJXJGHFTCIWCBC-IAGOWNOFSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001103157781 1365414411 /nfs/dbraw/zinc/41/44/11/1365414411.db2.gz CJXJGHFTCIWCBC-IAGOWNOFSA-N 2 1 339.568 3.227 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001103233167 1365447336 /nfs/dbraw/zinc/44/73/36/1365447336.db2.gz BYZWCRKUZTYBOH-IAGOWNOFSA-N 2 1 342.487 3.212 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[C@@H]2C[NH+](CC=C(C)C)C[C@H]2C)C1 ZINC001103359201 1365517576 /nfs/dbraw/zinc/51/75/76/1365517576.db2.gz OPLREJSWQZEAQD-VAMGGRTRSA-N 2 1 349.563 3.149 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[C@@H]2C[N@H+](CC=C(C)C)C[C@H]2C)C1 ZINC001103359201 1365517579 /nfs/dbraw/zinc/51/75/79/1365517579.db2.gz OPLREJSWQZEAQD-VAMGGRTRSA-N 2 1 349.563 3.149 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[C@@H]2C[N@@H+](CC=C(C)C)C[C@H]2C)C1 ZINC001103359201 1365517581 /nfs/dbraw/zinc/51/75/81/1365517581.db2.gz OPLREJSWQZEAQD-VAMGGRTRSA-N 2 1 349.563 3.149 20 0 EGADMP CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001103633597 1365691354 /nfs/dbraw/zinc/69/13/54/1365691354.db2.gz FFRGFBWQQWXVQM-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001103633597 1365691356 /nfs/dbraw/zinc/69/13/56/1365691356.db2.gz FFRGFBWQQWXVQM-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001103633597 1365691359 /nfs/dbraw/zinc/69/13/59/1365691359.db2.gz FFRGFBWQQWXVQM-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103755496 1365765928 /nfs/dbraw/zinc/76/59/28/1365765928.db2.gz JLOOGMVDJMOSAB-AQNXPRMDSA-N 2 1 349.563 3.147 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755590 1365766199 /nfs/dbraw/zinc/76/61/99/1365766199.db2.gz MKGGCWXPDHTCRF-IPMKNSEASA-N 2 1 339.568 3.083 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001103755590 1365766200 /nfs/dbraw/zinc/76/62/00/1365766200.db2.gz MKGGCWXPDHTCRF-IPMKNSEASA-N 2 1 339.568 3.083 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001103755590 1365766204 /nfs/dbraw/zinc/76/62/04/1365766204.db2.gz MKGGCWXPDHTCRF-IPMKNSEASA-N 2 1 339.568 3.083 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@](C)(C[NH2+][C@H](CC)c2ccccc2)C1 ZINC001324817312 1387782703 /nfs/dbraw/zinc/78/27/03/1387782703.db2.gz FTUZMJJHIIWGGX-TZIWHRDSSA-N 2 1 345.531 3.308 20 0 EGADMP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001104932631 1366229551 /nfs/dbraw/zinc/22/95/51/1366229551.db2.gz DYYLIXHTZNGWGE-JNVNVXKGSA-N 2 1 337.552 3.149 20 0 EGADMP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105544915 1366522010 /nfs/dbraw/zinc/52/20/10/1366522010.db2.gz YSXXMSDPOBTBPX-OALUTQOASA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)CCC1 ZINC001105563880 1366533276 /nfs/dbraw/zinc/53/32/76/1366533276.db2.gz SVUADADHJLVHBE-SFHVURJKSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C[NH2+]CCC2CCCCC2)[C@H](C)C1 ZINC001106665415 1366768773 /nfs/dbraw/zinc/76/87/73/1366768773.db2.gz VTNIEVWSZDGIIY-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106667953 1366769269 /nfs/dbraw/zinc/76/92/69/1366769269.db2.gz DOYKVSNBGFCICZ-JNVNVXKGSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001107036873 1366862553 /nfs/dbraw/zinc/86/25/53/1366862553.db2.gz UMXUFDFDJILULA-DSTKZSRVSA-N 2 1 349.563 3.291 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)(C)C)CC2)C1CC1 ZINC001107439027 1366963948 /nfs/dbraw/zinc/96/39/48/1366963948.db2.gz OQTIDXVGPLRFBS-DBXWQHBBSA-N 2 1 349.563 3.124 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107455098 1366969428 /nfs/dbraw/zinc/96/94/28/1366969428.db2.gz WESUKILFMWBYEV-GJCIYHRCSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@H+](C)CC)CCC[C@@H]12 ZINC001107455098 1366969433 /nfs/dbraw/zinc/96/94/33/1366969433.db2.gz WESUKILFMWBYEV-GJCIYHRCSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@@H+](C)CC)CCC[C@@H]12 ZINC001107455098 1366969434 /nfs/dbraw/zinc/96/94/34/1366969434.db2.gz WESUKILFMWBYEV-GJCIYHRCSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189311828 1366985046 /nfs/dbraw/zinc/98/50/46/1366985046.db2.gz NIKVKGCJGDSJFY-IKIZUSFZSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107613901 1367072722 /nfs/dbraw/zinc/07/27/22/1367072722.db2.gz DZNYLGIWLRZCGL-WHIUHWMMSA-N 2 1 349.563 3.435 20 0 EGADMP O=C(C[NH+]1CCCC1)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCCC1)CC2 ZINC001107633068 1367084984 /nfs/dbraw/zinc/08/49/84/1367084984.db2.gz IDHRIRJBQQWHOM-TZIWHRDSSA-N 2 1 347.547 3.023 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643845 1367089382 /nfs/dbraw/zinc/08/93/82/1367089382.db2.gz UXUBVMSYXBSGGN-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109396402 1367103021 /nfs/dbraw/zinc/10/30/21/1367103021.db2.gz DIVXOTLZOHXPRJ-CFXMGXPISA-N 2 1 347.547 3.042 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001109396402 1367103023 /nfs/dbraw/zinc/10/30/23/1367103023.db2.gz DIVXOTLZOHXPRJ-CFXMGXPISA-N 2 1 347.547 3.042 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001109396402 1367103025 /nfs/dbraw/zinc/10/30/25/1367103025.db2.gz DIVXOTLZOHXPRJ-CFXMGXPISA-N 2 1 347.547 3.042 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21 ZINC001189871771 1367121564 /nfs/dbraw/zinc/12/15/64/1367121564.db2.gz QIHJDJSRYRQJCI-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@@H](CC)c3ccccc3)C[C@H]21 ZINC001189923756 1367132642 /nfs/dbraw/zinc/13/26/42/1367132642.db2.gz YJYQXWOMXYPOOO-SLFFLAALSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](CC)c3ccccc3)C[C@H]21 ZINC001189923756 1367132647 /nfs/dbraw/zinc/13/26/47/1367132647.db2.gz YJYQXWOMXYPOOO-SLFFLAALSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+]([C@@H](CC)c3ccccc3)C[C@H]21 ZINC001189923756 1367132651 /nfs/dbraw/zinc/13/26/51/1367132651.db2.gz YJYQXWOMXYPOOO-SLFFLAALSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001109474008 1367146016 /nfs/dbraw/zinc/14/60/16/1367146016.db2.gz NDYPZJDLQQAAOW-FUMNGEBKSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001109474008 1367146019 /nfs/dbraw/zinc/14/60/19/1367146019.db2.gz NDYPZJDLQQAAOW-FUMNGEBKSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001109474008 1367146023 /nfs/dbraw/zinc/14/60/23/1367146023.db2.gz NDYPZJDLQQAAOW-FUMNGEBKSA-N 2 1 349.563 3.265 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190174542 1367190154 /nfs/dbraw/zinc/19/01/54/1367190154.db2.gz FKCMWAVUIVGUPG-SFHVURJKSA-N 2 1 337.552 3.364 20 0 EGADMP CCc1nccn1[C@H](C)CC(=O)N1CC[C@H]([N@H+](C)CC(CC)CC)C1 ZINC001190247493 1367208471 /nfs/dbraw/zinc/20/84/71/1367208471.db2.gz PYDIHJFDRJUXQD-AEFFLSMTSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]([N@@H+](C)CC(CC)CC)C1 ZINC001190247493 1367208477 /nfs/dbraw/zinc/20/84/77/1367208477.db2.gz PYDIHJFDRJUXQD-AEFFLSMTSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]([N@H+](C)CC(CC)CC)C1 ZINC001190247493 1367208482 /nfs/dbraw/zinc/20/84/82/1367208482.db2.gz PYDIHJFDRJUXQD-AEFFLSMTSA-N 2 1 348.535 3.366 20 0 EGADMP CC(C)(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109590188 1367216045 /nfs/dbraw/zinc/21/60/45/1367216045.db2.gz WINPYOIOQFRCPI-SQNIBIBYSA-N 2 1 349.563 3.409 20 0 EGADMP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109645971 1367260121 /nfs/dbraw/zinc/26/01/21/1367260121.db2.gz BPEIATCFYQKYPO-SQNIBIBYSA-N 2 1 347.503 3.257 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109645971 1367260128 /nfs/dbraw/zinc/26/01/28/1367260128.db2.gz BPEIATCFYQKYPO-SQNIBIBYSA-N 2 1 347.503 3.257 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190656550 1367320398 /nfs/dbraw/zinc/32/03/98/1367320398.db2.gz UZYLGPKGVWCJSH-ILWWCXPUSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190656550 1367320403 /nfs/dbraw/zinc/32/04/03/1367320403.db2.gz UZYLGPKGVWCJSH-ILWWCXPUSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190656550 1367320408 /nfs/dbraw/zinc/32/04/08/1367320408.db2.gz UZYLGPKGVWCJSH-ILWWCXPUSA-N 2 1 349.563 3.243 20 0 EGADMP Cc1c(C(=O)N2CC[C@@H]([N@@H+](C)CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001191082468 1367420744 /nfs/dbraw/zinc/42/07/44/1367420744.db2.gz YIYZKXBASXRXHK-QGZVFWFLSA-N 2 1 342.487 3.225 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001109969685 1367435793 /nfs/dbraw/zinc/43/57/93/1367435793.db2.gz VWCKDUQWRDFLIP-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002714 1367453652 /nfs/dbraw/zinc/45/36/52/1367453652.db2.gz QWRDRVMVIDKTNU-RNQOJCNYSA-N 2 1 343.515 3.201 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001110007129 1367455758 /nfs/dbraw/zinc/45/57/58/1367455758.db2.gz JESOWSXPAKLHLO-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)C ZINC001110158049 1367530852 /nfs/dbraw/zinc/53/08/52/1367530852.db2.gz GAGZEQFVEFTNPX-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)C ZINC001110158049 1367530856 /nfs/dbraw/zinc/53/08/56/1367530856.db2.gz GAGZEQFVEFTNPX-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C ZINC001110158049 1367530862 /nfs/dbraw/zinc/53/08/62/1367530862.db2.gz GAGZEQFVEFTNPX-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001108704512 1367543761 /nfs/dbraw/zinc/54/37/61/1367543761.db2.gz NVNUDJGVMLXHDT-LNLFQRSKSA-N 2 1 335.536 3.020 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684448 1367560544 /nfs/dbraw/zinc/56/05/44/1367560544.db2.gz RUOCHNWVTODAOX-LKGOPFMKSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001108734830 1367565459 /nfs/dbraw/zinc/56/54/59/1367565459.db2.gz YQWKUIQTENOGAW-BJLQDIEVSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH+](C)CCC(C)(C)C)C2)C1 ZINC001191923105 1367641281 /nfs/dbraw/zinc/64/12/81/1367641281.db2.gz QNJHVYQDCCEXPO-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]([N@H+](C)CCC(C)(C)C)C2)C1 ZINC001191923105 1367641284 /nfs/dbraw/zinc/64/12/84/1367641284.db2.gz QNJHVYQDCCEXPO-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCC(C)(C)C)C2)C1 ZINC001191923105 1367641289 /nfs/dbraw/zinc/64/12/89/1367641289.db2.gz QNJHVYQDCCEXPO-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192016962 1367665629 /nfs/dbraw/zinc/66/56/29/1367665629.db2.gz KLWNNAGIUGZKCL-RBUKOAKNSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001192317441 1367748397 /nfs/dbraw/zinc/74/83/97/1367748397.db2.gz TTWGYRGQMHWKHD-VQTJNVASSA-N 2 1 345.531 3.148 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001192325690 1367752535 /nfs/dbraw/zinc/75/25/35/1367752535.db2.gz MPQQZSQPADFIQZ-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP Cc1ccc(C[NH+](C)[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)cc1 ZINC001192385076 1367771180 /nfs/dbraw/zinc/77/11/80/1367771180.db2.gz DLIJARDNMQCQLV-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)cc1 ZINC001192385076 1367771184 /nfs/dbraw/zinc/77/11/84/1367771184.db2.gz DLIJARDNMQCQLV-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)cc1 ZINC001192385076 1367771190 /nfs/dbraw/zinc/77/11/90/1367771190.db2.gz DLIJARDNMQCQLV-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192406909 1367774343 /nfs/dbraw/zinc/77/43/43/1367774343.db2.gz OXNXDRQIBBBYOH-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192406909 1367774352 /nfs/dbraw/zinc/77/43/52/1367774352.db2.gz OXNXDRQIBBBYOH-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192406909 1367774356 /nfs/dbraw/zinc/77/43/56/1367774356.db2.gz OXNXDRQIBBBYOH-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP C[NH+](CCCC(C)(C)C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192406563 1367775347 /nfs/dbraw/zinc/77/53/47/1367775347.db2.gz JWXMPFUJWOYBLU-KRWDZBQOSA-N 2 1 339.568 3.323 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1)CC(C)(C)C ZINC001192406563 1367775350 /nfs/dbraw/zinc/77/53/50/1367775350.db2.gz JWXMPFUJWOYBLU-KRWDZBQOSA-N 2 1 339.568 3.323 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1)CC(C)(C)C ZINC001192406563 1367775352 /nfs/dbraw/zinc/77/53/52/1367775352.db2.gz JWXMPFUJWOYBLU-KRWDZBQOSA-N 2 1 339.568 3.323 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192657054 1367843548 /nfs/dbraw/zinc/84/35/48/1367843548.db2.gz XIXXQFDBLDQBEG-ASIGSXEYSA-N 2 1 335.536 3.140 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001192859403 1367890189 /nfs/dbraw/zinc/89/01/89/1367890189.db2.gz XDEDQADJBRWCOV-PKOBYXMFSA-N 2 1 348.535 3.187 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([N@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001192859403 1367890192 /nfs/dbraw/zinc/89/01/92/1367890192.db2.gz XDEDQADJBRWCOV-PKOBYXMFSA-N 2 1 348.535 3.187 20 0 EGADMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2cc(C)ccc2C)C1 ZINC001192946334 1367908797 /nfs/dbraw/zinc/90/87/97/1367908797.db2.gz AQEXDPBHBKETRX-RTBURBONSA-N 2 1 345.531 3.239 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1)C1CCC1 ZINC001110673920 1367913895 /nfs/dbraw/zinc/91/38/95/1367913895.db2.gz ZCPATZHJXPSDTN-AQNXPRMDSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1)C1CCC1 ZINC001110673920 1367913898 /nfs/dbraw/zinc/91/38/98/1367913898.db2.gz ZCPATZHJXPSDTN-AQNXPRMDSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1)C1CCC1 ZINC001110673920 1367913903 /nfs/dbraw/zinc/91/39/03/1367913903.db2.gz ZCPATZHJXPSDTN-AQNXPRMDSA-N 2 1 347.547 3.163 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110693605 1367931624 /nfs/dbraw/zinc/93/16/24/1367931624.db2.gz OTEUBKTVYFEMJH-SWKADNKYSA-N 2 1 335.536 3.041 20 0 EGADMP C[C@@]1(CO)CCC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001193209332 1367966901 /nfs/dbraw/zinc/96/69/01/1367966901.db2.gz FLMSQQKUDHHKLA-NRFANRHFSA-N 2 1 330.516 3.178 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424911 1368026442 /nfs/dbraw/zinc/02/64/42/1368026442.db2.gz RDYDCGMVACXXDD-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424911 1368026446 /nfs/dbraw/zinc/02/64/46/1368026446.db2.gz RDYDCGMVACXXDD-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193424911 1368026450 /nfs/dbraw/zinc/02/64/50/1368026450.db2.gz RDYDCGMVACXXDD-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558914 1368061305 /nfs/dbraw/zinc/06/13/05/1368061305.db2.gz FGLNQAIFCDXBKP-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001193571537 1368064349 /nfs/dbraw/zinc/06/43/49/1368064349.db2.gz TVZHHUZVTCDSBY-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CCCC2CCCC2)C1 ZINC001193600265 1368069968 /nfs/dbraw/zinc/06/99/68/1368069968.db2.gz BIGNHNCKLDEHNC-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001193600265 1368069974 /nfs/dbraw/zinc/06/99/74/1368069974.db2.gz BIGNHNCKLDEHNC-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001193600265 1368069977 /nfs/dbraw/zinc/06/99/77/1368069977.db2.gz BIGNHNCKLDEHNC-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C)cc2C)C1 ZINC001193609415 1368073185 /nfs/dbraw/zinc/07/31/85/1368073185.db2.gz AEJMJZUMRTVWKZ-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2C)C1 ZINC001193609415 1368073192 /nfs/dbraw/zinc/07/31/92/1368073192.db2.gz AEJMJZUMRTVWKZ-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2C)C1 ZINC001193609415 1368073198 /nfs/dbraw/zinc/07/31/98/1368073198.db2.gz AEJMJZUMRTVWKZ-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001110947639 1368114737 /nfs/dbraw/zinc/11/47/37/1368114737.db2.gz SCHVTNBJYOUOSE-OBVKCSMASA-N 2 1 347.547 3.185 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001110947639 1368114740 /nfs/dbraw/zinc/11/47/40/1368114740.db2.gz SCHVTNBJYOUOSE-OBVKCSMASA-N 2 1 347.547 3.185 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001110947639 1368114747 /nfs/dbraw/zinc/11/47/47/1368114747.db2.gz SCHVTNBJYOUOSE-OBVKCSMASA-N 2 1 347.547 3.185 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccsc1)[NH+](CC)CC ZINC001111018359 1368144504 /nfs/dbraw/zinc/14/45/04/1368144504.db2.gz RVNRMZIHALWOGA-TVFCKZIOSA-N 2 1 349.544 3.090 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccsc1)[NH+](CC)CC ZINC001111018359 1368144506 /nfs/dbraw/zinc/14/45/06/1368144506.db2.gz RVNRMZIHALWOGA-TVFCKZIOSA-N 2 1 349.544 3.090 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH]cn1)C2 ZINC001111125806 1368161539 /nfs/dbraw/zinc/16/15/39/1368161539.db2.gz NDSLUUWPVIJMBK-XLVWSCLWSA-N 2 1 344.503 3.056 20 0 EGADMP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)C2 ZINC001111125806 1368161545 /nfs/dbraw/zinc/16/15/45/1368161545.db2.gz NDSLUUWPVIJMBK-XLVWSCLWSA-N 2 1 344.503 3.056 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)C2 ZINC001111125806 1368161550 /nfs/dbraw/zinc/16/15/50/1368161550.db2.gz NDSLUUWPVIJMBK-XLVWSCLWSA-N 2 1 344.503 3.056 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164282 1368174355 /nfs/dbraw/zinc/17/43/55/1368174355.db2.gz RDDVVULRSWWCEH-OTHNFZTHSA-N 2 1 349.563 3.431 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081457 1368179112 /nfs/dbraw/zinc/17/91/12/1368179112.db2.gz PMPDXHHSXQVVPT-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCCC1 ZINC001111171559 1368179868 /nfs/dbraw/zinc/17/98/68/1368179868.db2.gz JHKOXFBHLFGNKS-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081829 1368180130 /nfs/dbraw/zinc/18/01/30/1368180130.db2.gz XNCSESJTLMGRSY-PHWHVTFISA-N 2 1 335.536 3.142 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1ccccc1C ZINC001111233696 1368209432 /nfs/dbraw/zinc/20/94/32/1368209432.db2.gz UJWWIMPYZTXBHX-CUDHKJQZSA-N 2 1 343.515 3.119 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ccccc1C ZINC001111233696 1368209435 /nfs/dbraw/zinc/20/94/35/1368209435.db2.gz UJWWIMPYZTXBHX-CUDHKJQZSA-N 2 1 343.515 3.119 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ccccc1C ZINC001111233696 1368209437 /nfs/dbraw/zinc/20/94/37/1368209437.db2.gz UJWWIMPYZTXBHX-CUDHKJQZSA-N 2 1 343.515 3.119 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227906 1368212496 /nfs/dbraw/zinc/21/24/96/1368212496.db2.gz OHIAUPLQJLTXTI-HCZHMGAMSA-N 2 1 343.515 3.251 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194229443 1368213211 /nfs/dbraw/zinc/21/32/11/1368213211.db2.gz XJPJUEAIPMYEDM-QUCCMNQESA-N 2 1 343.515 3.156 20 0 EGADMP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274225 1368221356 /nfs/dbraw/zinc/22/13/56/1368221356.db2.gz GCGVKPJXHQXLLA-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274225 1368221359 /nfs/dbraw/zinc/22/13/59/1368221359.db2.gz GCGVKPJXHQXLLA-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274520 1368221562 /nfs/dbraw/zinc/22/15/62/1368221562.db2.gz JANPRMNCSCMDBZ-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274520 1368221566 /nfs/dbraw/zinc/22/15/66/1368221566.db2.gz JANPRMNCSCMDBZ-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275188 1368222461 /nfs/dbraw/zinc/22/24/61/1368222461.db2.gz PSOWOMCBUZSJSB-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP C[N@@H+](CCCC1CCC1)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194430067 1368260027 /nfs/dbraw/zinc/26/00/27/1368260027.db2.gz RJFAENPALMGJEZ-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cccnc1N(C)C ZINC001325310290 1387931782 /nfs/dbraw/zinc/93/17/82/1387931782.db2.gz QKCQOFOZHPAUMZ-UHFFFAOYSA-N 2 1 326.488 3.278 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111464106 1368310930 /nfs/dbraw/zinc/31/09/30/1368310930.db2.gz IBUMTCVBAOQFMO-ZRNYENFQSA-N 2 1 343.515 3.199 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111464106 1368310936 /nfs/dbraw/zinc/31/09/36/1368310936.db2.gz IBUMTCVBAOQFMO-ZRNYENFQSA-N 2 1 343.515 3.199 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111464106 1368310941 /nfs/dbraw/zinc/31/09/41/1368310941.db2.gz IBUMTCVBAOQFMO-ZRNYENFQSA-N 2 1 343.515 3.199 20 0 EGADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC1CCCC1)C2)[NH+](C)C ZINC001111875076 1368521558 /nfs/dbraw/zinc/52/15/58/1368521558.db2.gz QBIHTQFRLPNVEP-ZJOUEHCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001196164248 1368560919 /nfs/dbraw/zinc/56/09/19/1368560919.db2.gz ZFXUNEQPZQXZQN-IBGZPJMESA-N 2 1 337.552 3.364 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001196164248 1368560923 /nfs/dbraw/zinc/56/09/23/1368560923.db2.gz ZFXUNEQPZQXZQN-IBGZPJMESA-N 2 1 337.552 3.364 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001196164248 1368560924 /nfs/dbraw/zinc/56/09/24/1368560924.db2.gz ZFXUNEQPZQXZQN-IBGZPJMESA-N 2 1 337.552 3.364 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001196200465 1368567085 /nfs/dbraw/zinc/56/70/85/1368567085.db2.gz KHLGATVAMCNXJN-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001196200465 1368567089 /nfs/dbraw/zinc/56/70/89/1368567089.db2.gz KHLGATVAMCNXJN-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001196200465 1368567092 /nfs/dbraw/zinc/56/70/92/1368567092.db2.gz KHLGATVAMCNXJN-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001196275138 1368581951 /nfs/dbraw/zinc/58/19/51/1368581951.db2.gz GRTROXGQJBGRHT-UNQUKWGNSA-N 2 1 347.547 3.284 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001196275902 1368582436 /nfs/dbraw/zinc/58/24/36/1368582436.db2.gz OSAAZSWLSKTVQI-RTBURBONSA-N 2 1 335.536 3.118 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001196275902 1368582438 /nfs/dbraw/zinc/58/24/38/1368582438.db2.gz OSAAZSWLSKTVQI-RTBURBONSA-N 2 1 335.536 3.118 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001196275902 1368582445 /nfs/dbraw/zinc/58/24/45/1368582445.db2.gz OSAAZSWLSKTVQI-RTBURBONSA-N 2 1 335.536 3.118 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388097 1368603716 /nfs/dbraw/zinc/60/37/16/1368603716.db2.gz CEOVMZMRXWWUAE-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001196388097 1368603720 /nfs/dbraw/zinc/60/37/20/1368603720.db2.gz CEOVMZMRXWWUAE-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001196388097 1368603723 /nfs/dbraw/zinc/60/37/23/1368603723.db2.gz CEOVMZMRXWWUAE-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CN(C)[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCc4ccc(Br)cc43)C[C@H]21 ZINC001196631718 1368652877 /nfs/dbraw/zinc/65/28/77/1368652877.db2.gz HRAHNXVTIKXGFA-VVLHAWIVSA-N 2 1 335.289 3.318 20 0 EGADMP CN(C)[C@@H]1[C@H]2C[N@H+]([C@H]3CCCc4ccc(Br)cc43)C[C@H]21 ZINC001196631718 1368652882 /nfs/dbraw/zinc/65/28/82/1368652882.db2.gz HRAHNXVTIKXGFA-VVLHAWIVSA-N 2 1 335.289 3.318 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001196890621 1368708612 /nfs/dbraw/zinc/70/86/12/1368708612.db2.gz TYHNPNJGQSVVDQ-YJJPMGAVSA-N 2 1 349.563 3.389 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001196890621 1368708617 /nfs/dbraw/zinc/70/86/17/1368708617.db2.gz TYHNPNJGQSVVDQ-YJJPMGAVSA-N 2 1 349.563 3.389 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001196890621 1368708619 /nfs/dbraw/zinc/70/86/19/1368708619.db2.gz TYHNPNJGQSVVDQ-YJJPMGAVSA-N 2 1 349.563 3.389 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196962197 1368722027 /nfs/dbraw/zinc/72/20/27/1368722027.db2.gz BCIYHQPMQVSNOO-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001112285441 1368748471 /nfs/dbraw/zinc/74/84/71/1368748471.db2.gz XODXEQQZQZOMKM-NNXSCSCUSA-N 2 1 347.547 3.045 20 0 EGADMP CCC(CC)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001112428152 1368842136 /nfs/dbraw/zinc/84/21/36/1368842136.db2.gz CJVWNCKNFJEOTD-ZJOUEHCJSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N1CCC[NH+](CC=C(C)C)CC1)c1ccccc1 ZINC001197810122 1368903727 /nfs/dbraw/zinc/90/37/27/1368903727.db2.gz SJNUYAXCMZXNGT-FQEVSTJZSA-N 2 1 343.515 3.180 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[NH+](CC=C(C)C)CC1)c1ccccc1 ZINC001197810122 1368903733 /nfs/dbraw/zinc/90/37/33/1368903733.db2.gz SJNUYAXCMZXNGT-FQEVSTJZSA-N 2 1 343.515 3.180 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@H+](CC=C(C)C)CC1)c1ccccc1 ZINC001197810122 1368903735 /nfs/dbraw/zinc/90/37/35/1368903735.db2.gz SJNUYAXCMZXNGT-FQEVSTJZSA-N 2 1 343.515 3.180 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@@H+](CC=C(C)C)CC1)c1ccccc1 ZINC001197810122 1368903737 /nfs/dbraw/zinc/90/37/37/1368903737.db2.gz SJNUYAXCMZXNGT-FQEVSTJZSA-N 2 1 343.515 3.180 20 0 EGADMP CCC(CC)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001112529549 1368916032 /nfs/dbraw/zinc/91/60/32/1368916032.db2.gz FOIMLAOAEPAMTB-CUWPLCDZSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC2CCC2)C1 ZINC001112557750 1368927261 /nfs/dbraw/zinc/92/72/61/1368927261.db2.gz WFMZKDFRLOUVDF-FPOVZHCZSA-N 2 1 349.563 3.127 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001198259864 1368991167 /nfs/dbraw/zinc/99/11/67/1368991167.db2.gz RZSWVCOBKLAUIN-XJDXJNMNSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)CN(C)Cc2ccccc2)CC1 ZINC001198364016 1369016028 /nfs/dbraw/zinc/01/60/28/1369016028.db2.gz KBVNVGVENIKEQE-UHFFFAOYSA-N 2 1 345.531 3.233 20 0 EGADMP CCCCCC[N@@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198364016 1369016034 /nfs/dbraw/zinc/01/60/34/1369016034.db2.gz KBVNVGVENIKEQE-UHFFFAOYSA-N 2 1 345.531 3.233 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198364016 1369016041 /nfs/dbraw/zinc/01/60/41/1369016041.db2.gz KBVNVGVENIKEQE-UHFFFAOYSA-N 2 1 345.531 3.233 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001198364016 1369016047 /nfs/dbraw/zinc/01/60/47/1369016047.db2.gz KBVNVGVENIKEQE-UHFFFAOYSA-N 2 1 345.531 3.233 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001198364016 1369016057 /nfs/dbraw/zinc/01/60/57/1369016057.db2.gz KBVNVGVENIKEQE-UHFFFAOYSA-N 2 1 345.531 3.233 20 0 EGADMP CC[N@H+](C)C(C)(C)C(=O)N1CC[NH+](Cc2ccccc2C(C)C)CC1 ZINC001113034981 1369155459 /nfs/dbraw/zinc/15/54/59/1369155459.db2.gz CZXUHTPELVYVAL-UHFFFAOYSA-N 2 1 345.531 3.185 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[NH+](Cc2ccccc2C(C)C)CC1 ZINC001113034981 1369155460 /nfs/dbraw/zinc/15/54/60/1369155460.db2.gz CZXUHTPELVYVAL-UHFFFAOYSA-N 2 1 345.531 3.185 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[NH+](CCC2CCCC2)CC1)C1CCCCC1 ZINC001113156797 1369233160 /nfs/dbraw/zinc/23/31/60/1369233160.db2.gz ZKWKHVMKKKUWQK-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2ccccc2C)CC1)[NH+](CC)CC ZINC001113338437 1369357358 /nfs/dbraw/zinc/35/73/58/1369357358.db2.gz CZXTWSMNESIQBH-ICSRJNTNSA-N 2 1 345.531 3.321 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001113341457 1369359485 /nfs/dbraw/zinc/35/94/85/1369359485.db2.gz XUWVPSXMLQZSHD-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@@H](C(=O)N1CC[NH+]([C@H](C)c2cccc(C)c2)CC1)[NH+](CC)CC ZINC001113341072 1369359580 /nfs/dbraw/zinc/35/95/80/1369359580.db2.gz JIOGUKZCQOQTQR-QUCCMNQESA-N 2 1 345.531 3.321 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001200506622 1369381957 /nfs/dbraw/zinc/38/19/57/1369381957.db2.gz FXQTYPVPEIBFMY-HKUYNNGSSA-N 2 1 337.552 3.122 20 0 EGADMP O=C([C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001200578032 1369393564 /nfs/dbraw/zinc/39/35/64/1369393564.db2.gz KCSCODQETIAIJC-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001113432351 1369423642 /nfs/dbraw/zinc/42/36/42/1369423642.db2.gz ZTRROZPZBURWTL-VOTSOKGWSA-N 2 1 343.515 3.252 20 0 EGADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001113438947 1369428922 /nfs/dbraw/zinc/42/89/22/1369428922.db2.gz QIJSWCYRHBEACV-LJQANCHMSA-N 2 1 345.531 3.404 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001113438947 1369428927 /nfs/dbraw/zinc/42/89/27/1369428927.db2.gz QIJSWCYRHBEACV-LJQANCHMSA-N 2 1 345.531 3.404 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](Cc2ccc(C)cc2)CC1)C(C)C ZINC001113439594 1369429841 /nfs/dbraw/zinc/42/98/41/1369429841.db2.gz JXDNQXOUCLHRIF-FQEVSTJZSA-N 2 1 345.531 3.006 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)c1ccccc1 ZINC001113529208 1369479746 /nfs/dbraw/zinc/47/97/46/1369479746.db2.gz IJOVGLUDXKWDDB-LJQANCHMSA-N 2 1 345.531 3.260 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)c1ccccc1 ZINC001113529208 1369479749 /nfs/dbraw/zinc/47/97/49/1369479749.db2.gz IJOVGLUDXKWDDB-LJQANCHMSA-N 2 1 345.531 3.260 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[NH+]([C@H](C)c2cc(C)ccc2C)CC1 ZINC001113571538 1369496712 /nfs/dbraw/zinc/49/67/12/1369496712.db2.gz TVQDHQHNUGNRJS-LJQANCHMSA-N 2 1 345.531 3.241 20 0 EGADMP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](CC2CCCCC2)CC3)n1 ZINC001201393043 1369534790 /nfs/dbraw/zinc/53/47/90/1369534790.db2.gz HXPBQAWBSYKTMS-UHFFFAOYSA-N 2 1 330.520 3.431 20 0 EGADMP Cn1ccc(C[N@H+]2CCCC23CC[NH+](CC2CCCCC2)CC3)n1 ZINC001201393043 1369534797 /nfs/dbraw/zinc/53/47/97/1369534797.db2.gz HXPBQAWBSYKTMS-UHFFFAOYSA-N 2 1 330.520 3.431 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001113644001 1369541262 /nfs/dbraw/zinc/54/12/62/1369541262.db2.gz ACWAEVKZCRMPBG-IBGZPJMESA-N 2 1 343.515 3.158 20 0 EGADMP c1ccc(CCC[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001201662748 1369599707 /nfs/dbraw/zinc/59/97/07/1369599707.db2.gz IMJCXCNYEUPGPX-FGZHOGPDSA-N 2 1 342.527 3.442 20 0 EGADMP c1ccc(CCC[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001201662748 1369599712 /nfs/dbraw/zinc/59/97/12/1369599712.db2.gz IMJCXCNYEUPGPX-FGZHOGPDSA-N 2 1 342.527 3.442 20 0 EGADMP c1ccc(CCC[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001201662748 1369599719 /nfs/dbraw/zinc/59/97/19/1369599719.db2.gz IMJCXCNYEUPGPX-FGZHOGPDSA-N 2 1 342.527 3.442 20 0 EGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(CCC(F)(F)F)CC[C@@H]21 ZINC001202329986 1369740205 /nfs/dbraw/zinc/74/02/05/1369740205.db2.gz XSUQFRHNTDYNPR-PMPSAXMXSA-N 2 1 344.425 3.009 20 0 EGADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CCC(F)(F)F)CC[C@@H]21 ZINC001202329986 1369740209 /nfs/dbraw/zinc/74/02/09/1369740209.db2.gz XSUQFRHNTDYNPR-PMPSAXMXSA-N 2 1 344.425 3.009 20 0 EGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CCC(F)(F)F)CC[C@@H]21 ZINC001202329986 1369740213 /nfs/dbraw/zinc/74/02/13/1369740213.db2.gz XSUQFRHNTDYNPR-PMPSAXMXSA-N 2 1 344.425 3.009 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](CCC(F)(F)F)CC[C@@H]21 ZINC001202329986 1369740218 /nfs/dbraw/zinc/74/02/18/1369740218.db2.gz XSUQFRHNTDYNPR-PMPSAXMXSA-N 2 1 344.425 3.009 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](CCC(F)(F)F)CC[C@@H]21 ZINC001202329986 1369740222 /nfs/dbraw/zinc/74/02/22/1369740222.db2.gz XSUQFRHNTDYNPR-PMPSAXMXSA-N 2 1 344.425 3.009 20 0 EGADMP O=C(NCc1[nH+]cn2ccccc12)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001186946679 1388032504 /nfs/dbraw/zinc/03/25/04/1388032504.db2.gz VCIGZSHAQLRAAB-UHFFFAOYSA-N 2 1 348.450 3.250 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114501755 1369977460 /nfs/dbraw/zinc/97/74/60/1369977460.db2.gz HSRCSMGXZSCGJK-BWTSREIZSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001114501755 1369977463 /nfs/dbraw/zinc/97/74/63/1369977463.db2.gz HSRCSMGXZSCGJK-BWTSREIZSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001114501755 1369977465 /nfs/dbraw/zinc/97/74/65/1369977465.db2.gz HSRCSMGXZSCGJK-BWTSREIZSA-N 2 1 349.563 3.122 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203102292 1369983990 /nfs/dbraw/zinc/98/39/90/1369983990.db2.gz HQLCQFSRRCYCGK-IRXDYDNUSA-N 2 1 349.563 3.170 20 0 EGADMP CCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203102631 1369984128 /nfs/dbraw/zinc/98/41/28/1369984128.db2.gz ICUZTQJGWGHZRL-IAGOWNOFSA-N 2 1 335.536 3.066 20 0 EGADMP OCc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001203193322 1370019400 /nfs/dbraw/zinc/01/94/00/1370019400.db2.gz KUEHWTKXSCYQGD-FCHUYYIVSA-N 2 1 336.479 3.133 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc2c(n1)CCC2 ZINC001203357128 1370096764 /nfs/dbraw/zinc/09/67/64/1370096764.db2.gz HAKKAMQVCAYIGV-PXNSSMCTSA-N 2 1 335.495 3.428 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc2c(n1)CCC2 ZINC001203357128 1370096770 /nfs/dbraw/zinc/09/67/70/1370096770.db2.gz HAKKAMQVCAYIGV-PXNSSMCTSA-N 2 1 335.495 3.428 20 0 EGADMP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417717 1370117762 /nfs/dbraw/zinc/11/77/62/1370117762.db2.gz BMOUQZYJKKPGEN-ROUUACIJSA-N 2 1 349.563 3.172 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203420932 1370118764 /nfs/dbraw/zinc/11/87/64/1370118764.db2.gz XZOLUBJKAUDUKH-VGRIIWOTSA-N 2 1 347.547 3.092 20 0 EGADMP CCCC[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203467309 1370135917 /nfs/dbraw/zinc/13/59/17/1370135917.db2.gz AFLCMTVLQYIKDV-DLBZAZTESA-N 2 1 346.519 3.214 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203578165 1370177105 /nfs/dbraw/zinc/17/71/05/1370177105.db2.gz ULWMLONBWOOWDX-OALUTQOASA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203791550 1370266077 /nfs/dbraw/zinc/26/60/77/1370266077.db2.gz JRUMMWPBGOQNEW-RTBURBONSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203791216 1370266136 /nfs/dbraw/zinc/26/61/36/1370266136.db2.gz FKEWSDCGQGYGRB-OALUTQOASA-N 2 1 347.547 3.234 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc[nH]1)CC2 ZINC001204007596 1370346181 /nfs/dbraw/zinc/34/61/81/1370346181.db2.gz YEUPMPMAIJIBOR-HXUWFJFHSA-N 2 1 339.483 3.270 20 0 EGADMP Cc1ccc(CN2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)s1 ZINC001204033943 1370354795 /nfs/dbraw/zinc/35/47/95/1370354795.db2.gz FHCBLAQANOVDQV-PKOBYXMFSA-N 2 1 334.529 3.379 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@@H](C(F)F)C2)cc1 ZINC001204268671 1370428095 /nfs/dbraw/zinc/42/80/95/1370428095.db2.gz MQFVUDLEKMDDJM-MRXNPFEDSA-N 2 1 326.431 3.494 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115450918 1370459035 /nfs/dbraw/zinc/45/90/35/1370459035.db2.gz TYZNBOWKYRTDDX-QZTJIDSGSA-N 2 1 337.552 3.172 20 0 EGADMP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115451023 1370459529 /nfs/dbraw/zinc/45/95/29/1370459529.db2.gz XROOXHVBKCDDLB-QWNKOJSDSA-N 2 1 335.536 3.236 20 0 EGADMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)cc(C)c3)CC2)C1 ZINC001204524105 1370503272 /nfs/dbraw/zinc/50/32/72/1370503272.db2.gz HTPCJCLFPNGUML-LJQANCHMSA-N 2 1 344.499 3.153 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)cc(C)c3)CC2)C1 ZINC001204524105 1370503275 /nfs/dbraw/zinc/50/32/75/1370503275.db2.gz HTPCJCLFPNGUML-LJQANCHMSA-N 2 1 344.499 3.153 20 0 EGADMP Cc1cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)oc1C ZINC001204532083 1370507758 /nfs/dbraw/zinc/50/77/58/1370507758.db2.gz VDHQMQBCFLWYTC-UHFFFAOYSA-N 2 1 342.487 3.137 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115535395 1370532263 /nfs/dbraw/zinc/53/22/63/1370532263.db2.gz UGBOAUNWKWSZNN-IBGZPJMESA-N 2 1 349.563 3.458 20 0 EGADMP CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC001115538336 1370534963 /nfs/dbraw/zinc/53/49/63/1370534963.db2.gz CUQCHPGDIRLIRN-SFHVURJKSA-N 2 1 349.563 3.460 20 0 EGADMP COc1c(F)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1Cl ZINC001204734649 1370558773 /nfs/dbraw/zinc/55/87/73/1370558773.db2.gz ANJBVIUYOTYUQU-UHFFFAOYSA-N 2 1 326.843 3.453 20 0 EGADMP COc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(F)cc1Cl ZINC001204735225 1370559489 /nfs/dbraw/zinc/55/94/89/1370559489.db2.gz OXKQIVKLTPQANA-UHFFFAOYSA-N 2 1 326.843 3.453 20 0 EGADMP COc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(OC(C)C)c1 ZINC001204742401 1370561987 /nfs/dbraw/zinc/56/19/87/1370561987.db2.gz MYHFBLCZWCPADW-UHFFFAOYSA-N 2 1 332.488 3.448 20 0 EGADMP CCn1c2ccccc2c2cc(C[N@H+]3CCO[C@@H](CC[NH3+])C3)ccc21 ZINC001204756045 1370568184 /nfs/dbraw/zinc/56/81/84/1370568184.db2.gz KGWBUVPQFIHUIH-KRWDZBQOSA-N 2 1 337.467 3.364 20 0 EGADMP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204757211 1370568513 /nfs/dbraw/zinc/56/85/13/1370568513.db2.gz WNYPJYOIYQSGEC-NRFANRHFSA-N 2 1 340.467 3.124 20 0 EGADMP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204757211 1370568519 /nfs/dbraw/zinc/56/85/19/1370568519.db2.gz WNYPJYOIYQSGEC-NRFANRHFSA-N 2 1 340.467 3.124 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001115579282 1370583077 /nfs/dbraw/zinc/58/30/77/1370583077.db2.gz GKHKZXJTQDJULR-NCALTVRCSA-N 2 1 341.927 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115598154 1370598260 /nfs/dbraw/zinc/59/82/60/1370598260.db2.gz JGOROPZFFRGEKC-QGZVFWFLSA-N 2 1 337.552 3.316 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC3CCCC3)c2)C1 ZINC001205009410 1370627494 /nfs/dbraw/zinc/62/74/94/1370627494.db2.gz RHKDQDMFICQTCT-KRWDZBQOSA-N 2 1 332.488 3.448 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OC3CCCC3)c2)C1 ZINC001205009410 1370627502 /nfs/dbraw/zinc/62/75/02/1370627502.db2.gz RHKDQDMFICQTCT-KRWDZBQOSA-N 2 1 332.488 3.448 20 0 EGADMP Cn1ccnc1C[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001205149463 1370663874 /nfs/dbraw/zinc/66/38/74/1370663874.db2.gz MDBNJHLWCKPQBO-UHFFFAOYSA-N 2 1 338.499 3.298 20 0 EGADMP Cn1ccnc1C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001205149463 1370663877 /nfs/dbraw/zinc/66/38/77/1370663877.db2.gz MDBNJHLWCKPQBO-UHFFFAOYSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc3cc(Br)cnc32)C[C@H]1C[NH3+] ZINC001205151679 1370664817 /nfs/dbraw/zinc/66/48/17/1370664817.db2.gz YSTUZEOJENDFIY-SMDDNHRTSA-N 2 1 334.261 3.024 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc3cc(Br)cnc3c2)C[C@H]1C[NH3+] ZINC001205151154 1370664969 /nfs/dbraw/zinc/66/49/69/1370664969.db2.gz QMGUQUFSUIAMFK-SMDDNHRTSA-N 2 1 334.261 3.024 20 0 EGADMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@](O)(C[NH3+])CC3)s2)cc1 ZINC001205219708 1370685351 /nfs/dbraw/zinc/68/53/51/1370685351.db2.gz FTTUDXZOMMUDBO-LJQANCHMSA-N 2 1 346.496 3.099 20 0 EGADMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@](O)(C[NH3+])CC3)cc2)cc1 ZINC001205221354 1370686123 /nfs/dbraw/zinc/68/61/23/1370686123.db2.gz SKTJUYOJUBDYGL-OAQYLSRUSA-N 2 1 340.467 3.038 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001205230268 1370688548 /nfs/dbraw/zinc/68/85/48/1370688548.db2.gz RUTRMIRHNCZOCI-CQSZACIVSA-N 2 1 336.785 3.035 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccccc2CCc2ccccc2)CC1 ZINC001205247075 1370693771 /nfs/dbraw/zinc/69/37/71/1370693771.db2.gz AMRXHRPMMPSKQN-JOCHJYFZSA-N 2 1 338.495 3.148 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@H]2C)CCCCC1 ZINC001115729837 1370712093 /nfs/dbraw/zinc/71/20/93/1370712093.db2.gz UTQHQRZIQLBVPC-QGZVFWFLSA-N 2 1 337.552 3.316 20 0 EGADMP CCCCCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730433 1370712866 /nfs/dbraw/zinc/71/28/66/1370712866.db2.gz JPMLGIZHZBSEPI-ZWKOTPCHSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115730897 1370713688 /nfs/dbraw/zinc/71/36/88/1370713688.db2.gz UEXXENJCFMMBGH-IRXDYDNUSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@H]1CC[N@H+](Cc2c[nH]c3cccc(Br)c23)C[C@@H]1C[NH3+] ZINC001205303278 1370713730 /nfs/dbraw/zinc/71/37/30/1370713730.db2.gz BWPMIRMXYYPKIV-RYUDHWBXSA-N 2 1 336.277 3.347 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3cccc(Br)c23)C[C@@H]1C[NH3+] ZINC001205303278 1370713732 /nfs/dbraw/zinc/71/37/32/1370713732.db2.gz BWPMIRMXYYPKIV-RYUDHWBXSA-N 2 1 336.277 3.347 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c2c(OC)cccc12 ZINC001205303842 1370713918 /nfs/dbraw/zinc/71/39/18/1370713918.db2.gz LLJMATNRGPCIDA-HOCLYGCPSA-N 2 1 328.456 3.274 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCCC1 ZINC001115768920 1370753159 /nfs/dbraw/zinc/75/31/59/1370753159.db2.gz NHLPATATVYXDBN-MOPGFXCFSA-N 2 1 349.563 3.458 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205519071 1370778642 /nfs/dbraw/zinc/77/86/42/1370778642.db2.gz UIXODRSGJGRNNU-QZPVUJMKSA-N 2 1 347.547 3.188 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1OCC1CC1 ZINC001205571811 1370795436 /nfs/dbraw/zinc/79/54/36/1370795436.db2.gz YGHJNJFQEIASDE-LJQANCHMSA-N 2 1 336.451 3.137 20 0 EGADMP COc1ccc(-c2cccc(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)n2)cc1 ZINC001205570466 1370795678 /nfs/dbraw/zinc/79/56/78/1370795678.db2.gz KHILLTACPMWJKX-FQEVSTJZSA-N 2 1 343.446 3.410 20 0 EGADMP COc1ccc(Br)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205617841 1370812933 /nfs/dbraw/zinc/81/29/33/1370812933.db2.gz OLPBQTATOSEGCZ-STQMWFEESA-N 2 1 341.293 3.265 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cc(Br)ncc2Cl)CC[C@H]1C[NH3+] ZINC001205639057 1370823122 /nfs/dbraw/zinc/82/31/22/1370823122.db2.gz VJIHGTBWGNGBAG-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc(Br)ncc2Cl)CC[C@H]1C[NH3+] ZINC001205639057 1370823129 /nfs/dbraw/zinc/82/31/29/1370823129.db2.gz VJIHGTBWGNGBAG-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP CCOC(=O)c1ccc2c(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)c[nH]c2c1 ZINC001205652669 1370828672 /nfs/dbraw/zinc/82/86/72/1370828672.db2.gz QNBKIGQQUUMRDN-HOCLYGCPSA-N 2 1 343.471 3.151 20 0 EGADMP COc1ccccc1-c1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205671572 1370837328 /nfs/dbraw/zinc/83/73/28/1370837328.db2.gz CPNIBGARMMPAOR-OAQYLSRUSA-N 2 1 340.467 3.038 20 0 EGADMP COc1cc(OC)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c2ccccc12 ZINC001205925841 1370913491 /nfs/dbraw/zinc/91/34/91/1370913491.db2.gz ZISWDPYFYBFNGK-GJZGRUSLSA-N 2 1 328.456 3.416 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCCC[C@H]([NH3+])C3)cc2)cc1 ZINC001205939287 1370918327 /nfs/dbraw/zinc/91/83/27/1370918327.db2.gz PHCBBXJVOFWHIQ-FQEVSTJZSA-N 2 1 338.451 3.453 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CCCC[C@H]([NH3+])C3)cc2)cc1 ZINC001205939287 1370918331 /nfs/dbraw/zinc/91/83/31/1370918331.db2.gz PHCBBXJVOFWHIQ-FQEVSTJZSA-N 2 1 338.451 3.453 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(Br)c2)CCC[C@H]1C[NH3+] ZINC001205995854 1370933334 /nfs/dbraw/zinc/93/33/34/1370933334.db2.gz RDDGTVKSKROMSQ-YPMHNXCESA-N 2 1 329.257 3.395 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206005909 1370936565 /nfs/dbraw/zinc/93/65/65/1370936565.db2.gz DUDFNDJDKGEIBJ-KKHYBRAUSA-N 2 1 349.563 3.293 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1OC(F)(F)F ZINC001206011500 1370937720 /nfs/dbraw/zinc/93/77/20/1370937720.db2.gz CVSJXKOKGROQST-TZMCWYRMSA-N 2 1 346.393 3.401 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CCC[C@H]1C[NH3+] ZINC001206022173 1370939785 /nfs/dbraw/zinc/93/97/85/1370939785.db2.gz BLMFSDBKUZDVEL-OLZOCXBDSA-N 2 1 333.863 3.401 20 0 EGADMP C[C@H]1C[N@H+](Cc2c(Br)ccnc2Cl)CCC[C@H]1C[NH3+] ZINC001206028916 1370943261 /nfs/dbraw/zinc/94/32/61/1370943261.db2.gz ZSEZZWXLGGPZOY-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c(Br)ccnc2Cl)CCC[C@H]1C[NH3+] ZINC001206028916 1370943262 /nfs/dbraw/zinc/94/32/62/1370943262.db2.gz ZSEZZWXLGGPZOY-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(F)c(F)c1Cl ZINC001206037527 1370946230 /nfs/dbraw/zinc/94/62/30/1370946230.db2.gz WAILOOXFTKLKKH-WDEREUQCSA-N 2 1 332.822 3.434 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](CCn2cncn2)c2ccc(C)cc2)C1 ZINC001116721908 1370961459 /nfs/dbraw/zinc/96/14/59/1370961459.db2.gz XMGHWEZGPXWJTF-QUCCMNQESA-N 2 1 341.503 3.039 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)CC[C@H]1F ZINC001206183111 1370984415 /nfs/dbraw/zinc/98/44/15/1370984415.db2.gz FTUJGSDBFONEOA-CHWSQXEVSA-N 2 1 338.320 3.185 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)CC[C@H]1F ZINC001206183112 1370985302 /nfs/dbraw/zinc/98/53/02/1370985302.db2.gz FTUJGSDBFONEOA-OLZOCXBDSA-N 2 1 338.320 3.185 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206210104 1370993405 /nfs/dbraw/zinc/99/34/05/1370993405.db2.gz JZHWJZZETJVUNF-ZWKOTPCHSA-N 2 1 329.419 3.018 20 0 EGADMP CC[NH+](CC)C1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001116918697 1371000324 /nfs/dbraw/zinc/00/03/24/1371000324.db2.gz JJRJTJHDHHSISU-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1Br ZINC001206304391 1371015915 /nfs/dbraw/zinc/01/59/15/1371015915.db2.gz JUIXGFHCGVDPKJ-INIZCTEOSA-N 2 1 341.293 3.409 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cnc(-c3ccccc3F)nc2)CC1 ZINC001206310900 1371017920 /nfs/dbraw/zinc/01/79/20/1371017920.db2.gz FBTBKHWCJFFQHJ-LJQANCHMSA-N 2 1 328.435 3.234 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(O)cc2OC(F)(F)F)CC1 ZINC001206326295 1371023250 /nfs/dbraw/zinc/02/32/50/1371023250.db2.gz MLHFJCARYFWUHT-OAHLLOKOSA-N 2 1 332.366 3.242 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC1 ZINC001206326504 1371023401 /nfs/dbraw/zinc/02/34/01/1371023401.db2.gz OGOBAPIDKBJLHG-SFHVURJKSA-N 2 1 332.879 3.477 20 0 EGADMP CC[C@H](C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206481775 1371068178 /nfs/dbraw/zinc/06/81/78/1371068178.db2.gz KXJXNYXGGBORTL-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)C1 ZINC001117749016 1371074216 /nfs/dbraw/zinc/07/42/16/1371074216.db2.gz ULOLRSAFPAFZNV-DLBZAZTESA-N 2 1 345.487 3.416 20 0 EGADMP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206549227 1371090260 /nfs/dbraw/zinc/09/02/60/1371090260.db2.gz WJGLZVXOFWRLBW-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@@H+](CCCc2cccc(Br)c2)C1 ZINC001206606170 1371107841 /nfs/dbraw/zinc/10/78/41/1371107841.db2.gz GHHQPFADCVQUMC-OAHLLOKOSA-N 2 1 325.294 3.443 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]CC=C(C)C)CC1 ZINC001206622142 1371111583 /nfs/dbraw/zinc/11/15/83/1371111583.db2.gz ZGLPOGSWEDCURD-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118263221 1371153614 /nfs/dbraw/zinc/15/36/14/1371153614.db2.gz DSPSAFNFXNICRK-HNNXBMFYSA-N 2 1 326.444 3.263 20 0 EGADMP COc1ccc(-c2cccc(C[N@H+]3C[C@H](C[NH3+])CC[C@H]3C)n2)cc1 ZINC001206770089 1371160074 /nfs/dbraw/zinc/16/00/74/1371160074.db2.gz QPXBJSZWGHAOET-CVEARBPZSA-N 2 1 325.456 3.316 20 0 EGADMP CC[C@@H]([NH2+]CC1CCN(C(=O)CC[N@@H+](C)CC)CC1)c1ccccc1 ZINC001206779727 1371163281 /nfs/dbraw/zinc/16/32/81/1371163281.db2.gz LXNLGKYBKFRQBA-HXUWFJFHSA-N 2 1 345.531 3.308 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001206795029 1371169518 /nfs/dbraw/zinc/16/95/18/1371169518.db2.gz ZGLFESZTGZWMKK-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP Cc1cc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)no1 ZINC001206816042 1371178584 /nfs/dbraw/zinc/17/85/84/1371178584.db2.gz RFAYRHZPSVCFNR-UHFFFAOYSA-N 2 1 340.471 3.255 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)no1 ZINC001206816042 1371178587 /nfs/dbraw/zinc/17/85/87/1371178587.db2.gz RFAYRHZPSVCFNR-UHFFFAOYSA-N 2 1 340.471 3.255 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)no1 ZINC001206816042 1371178589 /nfs/dbraw/zinc/17/85/89/1371178589.db2.gz RFAYRHZPSVCFNR-UHFFFAOYSA-N 2 1 340.471 3.255 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206947582 1371240033 /nfs/dbraw/zinc/24/00/33/1371240033.db2.gz BGHXFLQMMUUMOU-HDICACEKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CCN(C)CC1 ZINC001207291719 1371352995 /nfs/dbraw/zinc/35/29/95/1371352995.db2.gz VOXKVCPQPFKEQJ-UHFFFAOYSA-N 2 1 329.532 3.315 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001207336931 1371364772 /nfs/dbraw/zinc/36/47/72/1371364772.db2.gz MVJKFJQCKFSWFC-JMKDSLFWSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001207336931 1371364778 /nfs/dbraw/zinc/36/47/78/1371364778.db2.gz MVJKFJQCKFSWFC-JMKDSLFWSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001207336931 1371364783 /nfs/dbraw/zinc/36/47/83/1371364783.db2.gz MVJKFJQCKFSWFC-JMKDSLFWSA-N 2 1 335.536 3.044 20 0 EGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC001207346846 1371368071 /nfs/dbraw/zinc/36/80/71/1371368071.db2.gz CXIKOYHSSHAUTE-QGZVFWFLSA-N 2 1 330.463 3.387 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC001207346846 1371368074 /nfs/dbraw/zinc/36/80/74/1371368074.db2.gz CXIKOYHSSHAUTE-QGZVFWFLSA-N 2 1 330.463 3.387 20 0 EGADMP CC(C)[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207401687 1371385972 /nfs/dbraw/zinc/38/59/72/1371385972.db2.gz RKFDDHLZPQXAEI-KRWDZBQOSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)[N@H+]1CCC[C@H](C)C1 ZINC001119700957 1371390938 /nfs/dbraw/zinc/39/09/38/1371390938.db2.gz CHMBNASJGIRNAM-IRXDYDNUSA-N 2 1 347.503 3.116 20 0 EGADMP C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207488372 1371412152 /nfs/dbraw/zinc/41/21/52/1371412152.db2.gz JXZXYDPARCERGI-DOTOQJQBSA-N 2 1 339.524 3.096 20 0 EGADMP Fc1ccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001207513529 1371421344 /nfs/dbraw/zinc/42/13/44/1371421344.db2.gz YOXDWPYWWPYION-CALCHBBNSA-N 2 1 330.472 3.494 20 0 EGADMP Fc1ccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001207513529 1371421347 /nfs/dbraw/zinc/42/13/47/1371421347.db2.gz YOXDWPYWWPYION-CALCHBBNSA-N 2 1 330.472 3.494 20 0 EGADMP Fc1ccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001207513529 1371421351 /nfs/dbraw/zinc/42/13/51/1371421351.db2.gz YOXDWPYWWPYION-CALCHBBNSA-N 2 1 330.472 3.494 20 0 EGADMP Fc1ccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001207513529 1371421356 /nfs/dbraw/zinc/42/13/56/1371421356.db2.gz YOXDWPYWWPYION-CALCHBBNSA-N 2 1 330.472 3.494 20 0 EGADMP CC(C)c1ccc(CC[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1 ZINC001207521019 1371424476 /nfs/dbraw/zinc/42/44/76/1371424476.db2.gz LAYWIEMRUJTSDP-UHFFFAOYSA-N 2 1 329.488 3.483 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001207541068 1371430080 /nfs/dbraw/zinc/43/00/80/1371430080.db2.gz RSXJWUXTFDSMFD-IOIJZZRGSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001207541068 1371430082 /nfs/dbraw/zinc/43/00/82/1371430082.db2.gz RSXJWUXTFDSMFD-IOIJZZRGSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001207541068 1371430084 /nfs/dbraw/zinc/43/00/84/1371430084.db2.gz RSXJWUXTFDSMFD-IOIJZZRGSA-N 2 1 335.536 3.042 20 0 EGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](CCCc2cccc(OC)c2)CC1 ZINC001207572836 1371439130 /nfs/dbraw/zinc/43/91/30/1371439130.db2.gz LWRYWOSOLGRRJR-FQEVSTJZSA-N 2 1 346.515 3.203 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](CCCc2cccc(OC)c2)CC1 ZINC001207572836 1371439133 /nfs/dbraw/zinc/43/91/33/1371439133.db2.gz LWRYWOSOLGRRJR-FQEVSTJZSA-N 2 1 346.515 3.203 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3C[C@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)s2)cn1 ZINC001119989949 1371444508 /nfs/dbraw/zinc/44/45/08/1371444508.db2.gz UCVZAXSVTPROAN-BFYDXBDKSA-N 2 1 344.528 3.311 20 0 EGADMP CCCCCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120010362 1371454320 /nfs/dbraw/zinc/45/43/20/1371454320.db2.gz OQAIWDAYSHZBHC-SFHVURJKSA-N 2 1 337.552 3.317 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2ccccc2)CCCCC1 ZINC001120041331 1371466573 /nfs/dbraw/zinc/46/65/73/1371466573.db2.gz OTIDWLXWAGMBHH-UHFFFAOYSA-N 2 1 345.531 3.327 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682215 1371473581 /nfs/dbraw/zinc/47/35/81/1371473581.db2.gz GEJVPPVBLJGXBO-ASIGSXEYSA-N 2 1 347.547 3.045 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)c2cccc(C)c2)C[C@H]1C ZINC001207750289 1371493718 /nfs/dbraw/zinc/49/37/18/1371493718.db2.gz OJVSWIFVFLMVLY-ZIFCJYIRSA-N 2 1 345.531 3.223 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C)c2)C[C@H]1C ZINC001207750289 1371493720 /nfs/dbraw/zinc/49/37/20/1371493720.db2.gz OJVSWIFVFLMVLY-ZIFCJYIRSA-N 2 1 345.531 3.223 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cccc(C)c2)C[C@H]1C ZINC001207750289 1371493724 /nfs/dbraw/zinc/49/37/24/1371493724.db2.gz OJVSWIFVFLMVLY-ZIFCJYIRSA-N 2 1 345.531 3.223 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1C ZINC001207757567 1371495856 /nfs/dbraw/zinc/49/58/56/1371495856.db2.gz GFVHOBFYCAVRES-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCCCC1 ZINC001120208077 1371505209 /nfs/dbraw/zinc/50/52/09/1371505209.db2.gz UJXOPDKJAHYSBO-MSOLQXFVSA-N 2 1 337.552 3.316 20 0 EGADMP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCCCC1 ZINC001120208080 1371505489 /nfs/dbraw/zinc/50/54/89/1371505489.db2.gz UJXOPDKJAHYSBO-ZWKOTPCHSA-N 2 1 337.552 3.316 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120423885 1371571145 /nfs/dbraw/zinc/57/11/45/1371571145.db2.gz XRGHCVZNJUGWCR-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC2CCCC2)C1 ZINC001120439988 1371579050 /nfs/dbraw/zinc/57/90/50/1371579050.db2.gz KOVWQJFXVLXCMU-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP c1cnn(CCC[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC001208080995 1371590141 /nfs/dbraw/zinc/59/01/41/1371590141.db2.gz QVCYDFQQTDOOMB-UHFFFAOYSA-N 2 1 338.499 3.261 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001120503194 1371593655 /nfs/dbraw/zinc/59/36/55/1371593655.db2.gz KNALZXYREPCGRM-QGZVFWFLSA-N 2 1 347.478 3.174 20 0 EGADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208110392 1371598086 /nfs/dbraw/zinc/59/80/86/1371598086.db2.gz CGZADWSHHMYDLE-UHFFFAOYSA-N 3 1 347.522 3.454 20 0 EGADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208110392 1371598089 /nfs/dbraw/zinc/59/80/89/1371598089.db2.gz CGZADWSHHMYDLE-UHFFFAOYSA-N 2 1 347.522 3.454 20 0 EGADMP CC(C)(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208330886 1371720439 /nfs/dbraw/zinc/72/04/39/1371720439.db2.gz HLCVGLGHDZIGPU-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208330884 1371720515 /nfs/dbraw/zinc/72/05/15/1371720515.db2.gz HLCVGLGHDZIGPU-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331725 1371721595 /nfs/dbraw/zinc/72/15/95/1371721595.db2.gz WLNKNZKROQSYKO-OALUTQOASA-N 2 1 337.552 3.410 20 0 EGADMP CC(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208334565 1371722084 /nfs/dbraw/zinc/72/20/84/1371722084.db2.gz JXIFYWSHLRKJMR-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208434909 1371765304 /nfs/dbraw/zinc/76/53/04/1371765304.db2.gz IKWBJXWHWGEGNN-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001208448086 1371769552 /nfs/dbraw/zinc/76/95/52/1371769552.db2.gz VBTZWMXYCRXKHW-IEBWSBKVSA-N 2 1 345.531 3.367 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](C[C@H]3CCCCN3Cc3ccccc3)C2)CC1 ZINC001208592946 1371832701 /nfs/dbraw/zinc/83/27/01/1371832701.db2.gz ZNEKZXFFJOJGAC-OAQYLSRUSA-N 2 1 341.543 3.459 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](C)CCc2cccc(C(F)(F)F)n2)CC1 ZINC001208594813 1371834012 /nfs/dbraw/zinc/83/40/12/1371834012.db2.gz NZNRNMHSXHZNFN-UHFFFAOYSA-N 2 1 329.410 3.307 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCN(Cc3ccc(F)cc3)C[C@H]2C)CC1 ZINC001208595443 1371834181 /nfs/dbraw/zinc/83/41/81/1371834181.db2.gz TUOTZWYIIFTJGX-QGZVFWFLSA-N 2 1 333.495 3.064 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001208597689 1371835316 /nfs/dbraw/zinc/83/53/16/1371835316.db2.gz KUNUEGXUCWENJP-QFIPXVFZSA-N 3 1 341.543 3.316 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208597689 1371835320 /nfs/dbraw/zinc/83/53/20/1371835320.db2.gz KUNUEGXUCWENJP-QFIPXVFZSA-N 3 1 341.543 3.316 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208597689 1371835323 /nfs/dbraw/zinc/83/53/23/1371835323.db2.gz KUNUEGXUCWENJP-QFIPXVFZSA-N 3 1 341.543 3.316 20 0 EGADMP CC[NH+]1CCC(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001208597689 1371835326 /nfs/dbraw/zinc/83/53/26/1371835326.db2.gz KUNUEGXUCWENJP-QFIPXVFZSA-N 2 1 341.543 3.316 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001208597689 1371835330 /nfs/dbraw/zinc/83/53/30/1371835330.db2.gz KUNUEGXUCWENJP-QFIPXVFZSA-N 2 1 341.543 3.316 20 0 EGADMP CCN(C(=O)OC(C)(C)C)C1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208608237 1371838207 /nfs/dbraw/zinc/83/82/07/1371838207.db2.gz PFPUYELYWVJYGA-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(C[C@@H](c4ccccc4)CO3)CC2)C1 ZINC001208611292 1371840182 /nfs/dbraw/zinc/84/01/82/1371840182.db2.gz BNAXKXDIZFSYDF-AZUAARDMSA-N 2 1 328.500 3.367 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(C[C@@H](c4ccccc4)CO3)CC2)C1 ZINC001208611292 1371840187 /nfs/dbraw/zinc/84/01/87/1371840187.db2.gz BNAXKXDIZFSYDF-AZUAARDMSA-N 2 1 328.500 3.367 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C1 ZINC001208613073 1371840664 /nfs/dbraw/zinc/84/06/64/1371840664.db2.gz OTQOKGFLBYDIAQ-HCXYKTFWSA-N 2 1 349.563 3.124 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C1 ZINC001208613073 1371840665 /nfs/dbraw/zinc/84/06/65/1371840665.db2.gz OTQOKGFLBYDIAQ-HCXYKTFWSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C1 ZINC001208613073 1371840666 /nfs/dbraw/zinc/84/06/66/1371840666.db2.gz OTQOKGFLBYDIAQ-HCXYKTFWSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C1 ZINC001208613073 1371840668 /nfs/dbraw/zinc/84/06/68/1371840668.db2.gz OTQOKGFLBYDIAQ-HCXYKTFWSA-N 2 1 349.563 3.124 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3cccc4sccc43)CC2)C1 ZINC001208615128 1371840818 /nfs/dbraw/zinc/84/08/18/1371840818.db2.gz GTPGSJROPDRHQE-MRXNPFEDSA-N 2 1 329.513 3.365 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3cccc4sccc43)CC2)C1 ZINC001208615128 1371840821 /nfs/dbraw/zinc/84/08/21/1371840821.db2.gz GTPGSJROPDRHQE-MRXNPFEDSA-N 2 1 329.513 3.365 20 0 EGADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001208618795 1371844386 /nfs/dbraw/zinc/84/43/86/1371844386.db2.gz RUYFYVZNXNWPCW-QFBILLFUSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001208618795 1371844390 /nfs/dbraw/zinc/84/43/90/1371844390.db2.gz RUYFYVZNXNWPCW-QFBILLFUSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001208618795 1371844393 /nfs/dbraw/zinc/84/43/93/1371844393.db2.gz RUYFYVZNXNWPCW-QFBILLFUSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001208618795 1371844399 /nfs/dbraw/zinc/84/43/99/1371844399.db2.gz RUYFYVZNXNWPCW-QFBILLFUSA-N 2 1 339.524 3.050 20 0 EGADMP COC(=O)[C@@H](C)C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001208724788 1371874386 /nfs/dbraw/zinc/87/43/86/1371874386.db2.gz GXGGFBKLBGHQRI-SFHVURJKSA-N 2 1 344.499 3.174 20 0 EGADMP CC(C)CCC[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001208735670 1371879373 /nfs/dbraw/zinc/87/93/73/1371879373.db2.gz PYUBJUAGDDKUCK-UHFFFAOYSA-N 2 1 345.531 3.432 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@@H+](CC)C2CCN(C)CC2)cc1 ZINC001208870858 1371926466 /nfs/dbraw/zinc/92/64/66/1371926466.db2.gz NFGRKAWQCBBOJN-UHFFFAOYSA-N 2 1 332.488 3.212 20 0 EGADMP CCC(=O)C(C)(C)C[N@@H+]1C[C@H]2CN(Cc3ccc(C)cc3)C[C@H]2C1 ZINC001208914946 1371941831 /nfs/dbraw/zinc/94/18/31/1371941831.db2.gz BYWUTEUPRAFQDE-KDURUIRLSA-N 2 1 328.500 3.364 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC[C@]4(CCOC4)C3)C2)cc1 ZINC001208933044 1371951997 /nfs/dbraw/zinc/95/19/97/1371951997.db2.gz SUYNFAOUUVRYOK-SFTDATJTSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCC[C@]4(CCOC4)C3)C2)cc1 ZINC001208933044 1371952001 /nfs/dbraw/zinc/95/20/01/1371952001.db2.gz SUYNFAOUUVRYOK-SFTDATJTSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCC[C@]4(CCOC4)C3)C2)cc1 ZINC001208933044 1371952005 /nfs/dbraw/zinc/95/20/05/1371952005.db2.gz SUYNFAOUUVRYOK-SFTDATJTSA-N 2 1 328.500 3.401 20 0 EGADMP CC[N@H+](CCn1cccn1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208939148 1371953451 /nfs/dbraw/zinc/95/34/51/1371953451.db2.gz GRYLWFRDTKGMRQ-FQEVSTJZSA-N 2 1 326.488 3.117 20 0 EGADMP CC[N@@H+](CCn1cccn1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208939148 1371953456 /nfs/dbraw/zinc/95/34/56/1371953456.db2.gz GRYLWFRDTKGMRQ-FQEVSTJZSA-N 2 1 326.488 3.117 20 0 EGADMP CC[NH+](CCn1cccn1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208939148 1371953467 /nfs/dbraw/zinc/95/34/67/1371953467.db2.gz GRYLWFRDTKGMRQ-FQEVSTJZSA-N 2 1 326.488 3.117 20 0 EGADMP CC[NH+](CCn1cccn1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208939148 1371953470 /nfs/dbraw/zinc/95/34/70/1371953470.db2.gz GRYLWFRDTKGMRQ-FQEVSTJZSA-N 2 1 326.488 3.117 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1CCN(C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208946336 1371958101 /nfs/dbraw/zinc/95/81/01/1371958101.db2.gz UVTPMKFGXHIVPV-SFTDATJTSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[NH+](C)[C@H]1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208946336 1371958109 /nfs/dbraw/zinc/95/81/09/1371958109.db2.gz UVTPMKFGXHIVPV-SFTDATJTSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[NH+](C)[C@H]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208946336 1371958117 /nfs/dbraw/zinc/95/81/17/1371958117.db2.gz UVTPMKFGXHIVPV-SFTDATJTSA-N 2 1 329.532 3.313 20 0 EGADMP Cc1nnc(C2CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC001208958078 1371963176 /nfs/dbraw/zinc/96/31/76/1371963176.db2.gz NWNCERSAWLEEIS-SFHVURJKSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nnc(C2CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC001208958078 1371963180 /nfs/dbraw/zinc/96/31/80/1371963180.db2.gz NWNCERSAWLEEIS-SFHVURJKSA-N 2 1 340.471 3.080 20 0 EGADMP FC1CC[NH+](C2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)CC1 ZINC001209145027 1372013365 /nfs/dbraw/zinc/01/33/65/1372013365.db2.gz BTPVGMWMKIEIQF-UHFFFAOYSA-N 2 1 332.463 3.062 20 0 EGADMP CC[N@H+](Cc1ccccc1)C1CC[NH+](CC2COC(C)(C)OC2)CC1 ZINC001209198519 1372035265 /nfs/dbraw/zinc/03/52/65/1372035265.db2.gz IDSOHAHHNICBDD-UHFFFAOYSA-N 2 1 346.515 3.372 20 0 EGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](CC2COC(C)(C)OC2)CC1 ZINC001209198519 1372035271 /nfs/dbraw/zinc/03/52/71/1372035271.db2.gz IDSOHAHHNICBDD-UHFFFAOYSA-N 2 1 346.515 3.372 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCCC(C)(C)C)C2)CC[N@H+]1C ZINC001209250903 1372050985 /nfs/dbraw/zinc/05/09/85/1372050985.db2.gz JCJGKNYFGVFQKH-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1CCC[NH+]1CCCCC1 ZINC001209452182 1372108782 /nfs/dbraw/zinc/10/87/82/1372108782.db2.gz GQXNGHZNGATODZ-NRFANRHFSA-N 2 1 329.532 3.459 20 0 EGADMP CCOC(=O)Cc1ccc2c(c1)C[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC001209449251 1372108973 /nfs/dbraw/zinc/10/89/73/1372108973.db2.gz FMQLMUVHEUFADQ-UHFFFAOYSA-N 2 1 344.499 3.026 20 0 EGADMP CCOC(=O)Cc1ccc2c(c1)C[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC001209449251 1372108976 /nfs/dbraw/zinc/10/89/76/1372108976.db2.gz FMQLMUVHEUFADQ-UHFFFAOYSA-N 2 1 344.499 3.026 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CCN(CCC[NH+]4CCCCC4)[C@H]3C2)cc1 ZINC001209453713 1372110512 /nfs/dbraw/zinc/11/05/12/1372110512.db2.gz KNAWFMVTULEBIR-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001209488460 1372119482 /nfs/dbraw/zinc/11/94/82/1372119482.db2.gz NTVBUKNKKKMKHW-SJLPKXTDSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001209488460 1372119485 /nfs/dbraw/zinc/11/94/85/1372119485.db2.gz NTVBUKNKKKMKHW-SJLPKXTDSA-N 2 1 348.535 3.235 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001209566119 1372137536 /nfs/dbraw/zinc/13/75/36/1372137536.db2.gz PEOJXRSFJKILHK-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001209566119 1372137541 /nfs/dbraw/zinc/13/75/41/1372137541.db2.gz PEOJXRSFJKILHK-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001209566119 1372137548 /nfs/dbraw/zinc/13/75/48/1372137548.db2.gz PEOJXRSFJKILHK-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP [NH3+]C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CCCCCC1 ZINC001121971824 1372139197 /nfs/dbraw/zinc/13/91/97/1372139197.db2.gz HKSVOQSTXXFDDG-YZGWKJHDSA-N 2 1 347.547 3.007 20 0 EGADMP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)[nH]1 ZINC001209571774 1372139897 /nfs/dbraw/zinc/13/98/97/1372139897.db2.gz LNEHTSZFRNRBKA-GOSISDBHSA-N 2 1 343.471 3.172 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001209585859 1372143656 /nfs/dbraw/zinc/14/36/56/1372143656.db2.gz RLJGCVLYKRNCFN-QRQLOZEOSA-N 2 1 339.568 3.226 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C)C(C)C ZINC001209584974 1372143820 /nfs/dbraw/zinc/14/38/20/1372143820.db2.gz FMDRLUCLEFBLFO-KURKYZTESA-N 2 1 339.568 3.226 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+][C@H](C)c1ccccc1)C2 ZINC001122022868 1372155491 /nfs/dbraw/zinc/15/54/91/1372155491.db2.gz MCQVTSPQXSBXEP-WOLZCAMPSA-N 2 1 343.515 3.106 20 0 EGADMP Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)c1 ZINC001209659224 1372163288 /nfs/dbraw/zinc/16/32/88/1372163288.db2.gz ABJAHCGQPKKKKZ-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH2+]C1CC2(CC(NC(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001122057363 1372164590 /nfs/dbraw/zinc/16/45/90/1372164590.db2.gz XLQMEBLACWXEFG-MBEFBZSESA-N 2 1 343.515 3.106 20 0 EGADMP CCCC[NH+]1CCC([N@H+](C)Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC001209719388 1372177697 /nfs/dbraw/zinc/17/76/97/1372177697.db2.gz PXTAUBPMUSXXDN-UHFFFAOYSA-N 2 1 334.460 3.120 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC001209719388 1372177704 /nfs/dbraw/zinc/17/77/04/1372177704.db2.gz PXTAUBPMUSXXDN-UHFFFAOYSA-N 2 1 334.460 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001209892398 1372224940 /nfs/dbraw/zinc/22/49/40/1372224940.db2.gz RRWNBCWOYLQAPG-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209954853 1372240068 /nfs/dbraw/zinc/24/00/68/1372240068.db2.gz ZYHVSMIZGTUENN-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCC(C)C)C1 ZINC001210183041 1372290020 /nfs/dbraw/zinc/29/00/20/1372290020.db2.gz KGOHXVQNSSZNAG-SFHVURJKSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001210584394 1372384956 /nfs/dbraw/zinc/38/49/56/1372384956.db2.gz GYEHLVUONYAFLG-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001210773481 1372424339 /nfs/dbraw/zinc/42/43/39/1372424339.db2.gz LJKHBJCRDLYUIR-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094649 1372484707 /nfs/dbraw/zinc/48/47/07/1372484707.db2.gz KKFODYUUGIRVOP-UYAOXDASSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211336970 1372534048 /nfs/dbraw/zinc/53/40/48/1372534048.db2.gz HHFLFXQUHHNIIW-YLJYHZDGSA-N 2 1 345.531 3.235 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374596 1372543233 /nfs/dbraw/zinc/54/32/33/1372543233.db2.gz JVFDVZFGTXCJKE-SUOBQJEYSA-N 2 1 343.515 3.082 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374596 1372543238 /nfs/dbraw/zinc/54/32/38/1372543238.db2.gz JVFDVZFGTXCJKE-SUOBQJEYSA-N 2 1 343.515 3.082 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001127065893 1373079287 /nfs/dbraw/zinc/07/92/87/1373079287.db2.gz GUULPZYZWTYCIY-FXAWDEMLSA-N 2 1 345.531 3.450 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001214780424 1373118076 /nfs/dbraw/zinc/11/80/76/1373118076.db2.gz ZQMTUGQJFGSVIB-JMKDSLFWSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(C(C)(C)C)cc1 ZINC001127643924 1373152116 /nfs/dbraw/zinc/15/21/16/1373152116.db2.gz RKVHETAQTIUJQH-FRQCXROJSA-N 2 1 345.531 3.091 20 0 EGADMP CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001215020220 1373157856 /nfs/dbraw/zinc/15/78/56/1373157856.db2.gz PEKLZVPUXABHGH-JFIYKMOQSA-N 2 1 337.552 3.122 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001127678936 1373158920 /nfs/dbraw/zinc/15/89/20/1373158920.db2.gz GKPKVUHRPYXIKF-DLBZAZTESA-N 2 1 342.487 3.172 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001215387905 1373204368 /nfs/dbraw/zinc/20/43/68/1373204368.db2.gz VPHIZXWVTNKQOS-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001215774367 1373236429 /nfs/dbraw/zinc/23/64/29/1373236429.db2.gz NETJNQJBYMDPFV-RTUSNTFBSA-N 2 1 335.536 3.042 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001216490384 1373311955 /nfs/dbraw/zinc/31/19/55/1373311955.db2.gz AQEVFILHMJCBFN-MISYRCLQSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001216506321 1373312376 /nfs/dbraw/zinc/31/23/76/1373312376.db2.gz GTOORKLUTPFFQW-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C)c1ccc(F)cc1 ZINC001216851694 1373351546 /nfs/dbraw/zinc/35/15/46/1373351546.db2.gz GKNBVIKIHIHWRS-ATZDWAIDSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CC/C=C/c1ccccc1 ZINC001129422405 1373382367 /nfs/dbraw/zinc/38/23/67/1373382367.db2.gz IHUDIELUHDFZDG-HSSRVXSRSA-N 2 1 343.515 3.059 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001129421770 1373382725 /nfs/dbraw/zinc/38/27/25/1373382725.db2.gz BSPCHWHXWDKPCC-RBUKOAKNSA-N 2 1 345.531 3.333 20 0 EGADMP C[C@@H]1CC[C@@H](c2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)[NH2+]C1 ZINC001217704238 1373490478 /nfs/dbraw/zinc/49/04/78/1373490478.db2.gz ZENZOLYHVLLXQQ-OIISXLGYSA-N 2 1 326.444 3.120 20 0 EGADMP C[C@@H]1CC[C@@H](c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)[NH2+]C1 ZINC001217704238 1373490482 /nfs/dbraw/zinc/49/04/82/1373490482.db2.gz ZENZOLYHVLLXQQ-OIISXLGYSA-N 2 1 326.444 3.120 20 0 EGADMP c1ccc(C[N@H+]2CCCO[C@@H](COCCC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001217888200 1373510170 /nfs/dbraw/zinc/51/01/70/1373510170.db2.gz OLAJRMHXYNJLHG-TZIWHRDSSA-N 2 1 346.515 3.074 20 0 EGADMP [NH3+]Cc1cccc(CO[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC001217908673 1373511266 /nfs/dbraw/zinc/51/12/66/1373511266.db2.gz IBRLBGXIOSWAOW-IBGZPJMESA-N 2 1 328.431 3.466 20 0 EGADMP c1ccc(C[N@@H+]2CCc3ccc(O[C@@H]4C[C@H]5CC[C@@H](C4)[NH2+]5)nc3C2)cc1 ZINC001218186092 1373574201 /nfs/dbraw/zinc/57/42/01/1373574201.db2.gz LQFXPCCOXMZNCC-ACDBMABISA-N 2 1 349.478 3.302 20 0 EGADMP c1ccc(C[N@H+]2CCc3ccc(O[C@@H]4C[C@H]5CC[C@@H](C4)[NH2+]5)nc3C2)cc1 ZINC001218186092 1373574204 /nfs/dbraw/zinc/57/42/04/1373574204.db2.gz LQFXPCCOXMZNCC-ACDBMABISA-N 2 1 349.478 3.302 20 0 EGADMP CC[C@]1(c2cccc(OCCO[C@H]3CC[NH2+]C3)c2)CCCC[N@@H+](C)C1 ZINC001218388288 1373604966 /nfs/dbraw/zinc/60/49/66/1373604966.db2.gz QGUXAMYBBMADPC-SFTDATJTSA-N 2 1 346.515 3.207 20 0 EGADMP C[C@@]1(C(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)CCC[NH2+]1 ZINC001218847850 1373660773 /nfs/dbraw/zinc/66/07/73/1373660773.db2.gz KOBDZHOAMNJQRF-NRFANRHFSA-N 2 1 335.451 3.283 20 0 EGADMP C[C@@]1(C(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)CCC[NH2+]1 ZINC001218847850 1373660776 /nfs/dbraw/zinc/66/07/76/1373660776.db2.gz KOBDZHOAMNJQRF-NRFANRHFSA-N 2 1 335.451 3.283 20 0 EGADMP Cc1c(Cl)cc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)c(O)c1Cl ZINC001219013288 1373679863 /nfs/dbraw/zinc/67/98/63/1373679863.db2.gz RFECHHXRHMOGMP-NSHDSACASA-N 2 1 348.274 3.005 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221773730 1373792315 /nfs/dbraw/zinc/79/23/15/1373792315.db2.gz BKJZGHSOZWNCRQ-HSALFYBXSA-N 2 1 343.515 3.012 20 0 EGADMP Clc1ccc(CC[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001222400759 1373837149 /nfs/dbraw/zinc/83/71/49/1373837149.db2.gz GWKRZLCAZFPRNM-UHFFFAOYSA-N 2 1 343.298 3.238 20 0 EGADMP O=C(NCC1([NH2+]CC2CCC2)CCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001326823101 1388321767 /nfs/dbraw/zinc/32/17/67/1388321767.db2.gz RFOUEPKTOHYPDC-SFHVURJKSA-N 2 1 347.547 3.070 20 0 EGADMP C[N@H+]1CCC[C@H](OC[C@]2(C)C[NH+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152634 1375096882 /nfs/dbraw/zinc/09/68/82/1375096882.db2.gz XMLWLQFEGFUIRH-FPOVZHCZSA-N 2 1 346.515 3.167 20 0 EGADMP C[NH+]1CCC[C@H](OC[C@]2(C)C[N@H+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152634 1375096886 /nfs/dbraw/zinc/09/68/86/1375096886.db2.gz XMLWLQFEGFUIRH-FPOVZHCZSA-N 2 1 346.515 3.167 20 0 EGADMP C[NH+]1CCC[C@H](OC[C@]2(C)C[N@@H+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152634 1375096889 /nfs/dbraw/zinc/09/68/89/1375096889.db2.gz XMLWLQFEGFUIRH-FPOVZHCZSA-N 2 1 346.515 3.167 20 0 EGADMP C[NH+](C)Cc1ccc(O[C@H]2COCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001225332193 1375105124 /nfs/dbraw/zinc/10/51/24/1375105124.db2.gz IXCYDNMIMYFRFJ-OAQYLSRUSA-N 2 1 340.467 3.028 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CC1CCCCC1 ZINC001132105464 1375150543 /nfs/dbraw/zinc/15/05/43/1375150543.db2.gz HLEOUUIHPHNLRO-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132105341 1375150706 /nfs/dbraw/zinc/15/07/06/1375150706.db2.gz FPMFXRSXEQQPBW-XXCOWLKOSA-N 2 1 335.536 3.186 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132105341 1375150709 /nfs/dbraw/zinc/15/07/09/1375150709.db2.gz FPMFXRSXEQQPBW-XXCOWLKOSA-N 2 1 335.536 3.186 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132105341 1375150711 /nfs/dbraw/zinc/15/07/11/1375150711.db2.gz FPMFXRSXEQQPBW-XXCOWLKOSA-N 2 1 335.536 3.186 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCC1CCCC1 ZINC001132111392 1375153046 /nfs/dbraw/zinc/15/30/46/1375153046.db2.gz QPBSGCSPENIDBR-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCC1CCCC1 ZINC001132111392 1375153048 /nfs/dbraw/zinc/15/30/48/1375153048.db2.gz QPBSGCSPENIDBR-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCC1CCCC1 ZINC001132111392 1375153051 /nfs/dbraw/zinc/15/30/51/1375153051.db2.gz QPBSGCSPENIDBR-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188691307 1388361170 /nfs/dbraw/zinc/36/11/70/1388361170.db2.gz XRMLRXNFAODBMP-ZYHOBAKYSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@H+]1CC1CCC1 ZINC001132141594 1375167205 /nfs/dbraw/zinc/16/72/05/1375167205.db2.gz SKEHNWZYJJDHTI-AEFFLSMTSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[NH+]1CC1CCC1 ZINC001132141594 1375167207 /nfs/dbraw/zinc/16/72/07/1375167207.db2.gz SKEHNWZYJJDHTI-AEFFLSMTSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[NH+]1CC1CCC1 ZINC001132141594 1375167209 /nfs/dbraw/zinc/16/72/09/1375167209.db2.gz SKEHNWZYJJDHTI-AEFFLSMTSA-N 2 1 349.563 3.409 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001132140416 1375167671 /nfs/dbraw/zinc/16/76/71/1375167671.db2.gz IHZWQPOOVKJPSW-DOTOQJQBSA-N 2 1 342.487 3.416 20 0 EGADMP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccccc2F)C1 ZINC001132152678 1375172337 /nfs/dbraw/zinc/17/23/37/1375172337.db2.gz HIXFGCYUGAZMOS-RDJZCZTQSA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccccc2F)C1 ZINC001132152678 1375172340 /nfs/dbraw/zinc/17/23/40/1375172340.db2.gz HIXFGCYUGAZMOS-RDJZCZTQSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2F)C1 ZINC001132152678 1375172341 /nfs/dbraw/zinc/17/23/41/1375172341.db2.gz HIXFGCYUGAZMOS-RDJZCZTQSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2F)C1 ZINC001132152678 1375172343 /nfs/dbraw/zinc/17/23/43/1375172343.db2.gz HIXFGCYUGAZMOS-RDJZCZTQSA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccccc2C)C1 ZINC001132152856 1375172633 /nfs/dbraw/zinc/17/26/33/1375172633.db2.gz JRHHQNFQISSIDI-HKUYNNGSSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2C)C1 ZINC001132152856 1375172635 /nfs/dbraw/zinc/17/26/35/1375172635.db2.gz JRHHQNFQISSIDI-HKUYNNGSSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C)C1 ZINC001132152856 1375172636 /nfs/dbraw/zinc/17/26/36/1375172636.db2.gz JRHHQNFQISSIDI-HKUYNNGSSA-N 2 1 345.531 3.194 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](CC2=CCCCC2)C1 ZINC001132152515 1375173054 /nfs/dbraw/zinc/17/30/54/1375173054.db2.gz DICBRGQKYLAUBE-WMZOPIPTSA-N 2 1 335.536 3.186 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC2=CCCCC2)C1 ZINC001132152515 1375173058 /nfs/dbraw/zinc/17/30/58/1375173058.db2.gz DICBRGQKYLAUBE-WMZOPIPTSA-N 2 1 335.536 3.186 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2=CCCCC2)C1 ZINC001132152515 1375173060 /nfs/dbraw/zinc/17/30/60/1375173060.db2.gz DICBRGQKYLAUBE-WMZOPIPTSA-N 2 1 335.536 3.186 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132174415 1375188674 /nfs/dbraw/zinc/18/86/74/1375188674.db2.gz UXOKTEJJVYBYOG-ZFTGLFDFSA-N 2 1 340.471 3.273 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@H+]1CC1CCC1 ZINC001132207202 1375208479 /nfs/dbraw/zinc/20/84/79/1375208479.db2.gz RAMRGCAIFRCTJG-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[NH+]1CC1CCC1 ZINC001132207202 1375208483 /nfs/dbraw/zinc/20/84/83/1375208483.db2.gz RAMRGCAIFRCTJG-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[NH+]1CC1CCC1 ZINC001132207202 1375208490 /nfs/dbraw/zinc/20/84/90/1375208490.db2.gz RAMRGCAIFRCTJG-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132211051 1375211108 /nfs/dbraw/zinc/21/11/08/1375211108.db2.gz LMKKBKPCRCPKGX-MSOLQXFVSA-N 2 1 335.536 3.186 20 0 EGADMP Clc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc2c1OCCO2 ZINC001327006123 1388364271 /nfs/dbraw/zinc/36/42/71/1388364271.db2.gz WOENOMCOUBCOIH-UHFFFAOYSA-N 2 1 336.863 3.077 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)C ZINC001226323615 1375240361 /nfs/dbraw/zinc/24/03/61/1375240361.db2.gz QBWXYCYNNFLFRL-KZNAEPCWSA-N 2 1 348.535 3.460 20 0 EGADMP Cc1cc(C)c(C[N@@H+]2C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)c(C)c1 ZINC001132266457 1375255320 /nfs/dbraw/zinc/25/53/20/1375255320.db2.gz XHQPVPBHAQTGPW-RBUKOAKNSA-N 2 1 345.531 3.033 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001226612931 1375292577 /nfs/dbraw/zinc/29/25/77/1375292577.db2.gz DKVBIKJWQSCEQF-GUDVDZBRSA-N 2 1 337.552 3.458 20 0 EGADMP C[NH+]1CCC(Oc2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001226743536 1375322438 /nfs/dbraw/zinc/32/24/38/1375322438.db2.gz UGOXPRALEZHBPJ-UHFFFAOYSA-N 2 1 337.467 3.113 20 0 EGADMP C[NH+]1CCC(Oc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001226743536 1375322445 /nfs/dbraw/zinc/32/24/45/1375322445.db2.gz UGOXPRALEZHBPJ-UHFFFAOYSA-N 2 1 337.467 3.113 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001226773061 1375330703 /nfs/dbraw/zinc/33/07/03/1375330703.db2.gz BXPARIYLWZGSIR-AQNXPRMDSA-N 2 1 349.563 3.457 20 0 EGADMP CCCCCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132435497 1375379935 /nfs/dbraw/zinc/37/99/35/1375379935.db2.gz FAUKITVBZZVIKR-QZTJIDSGSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132435497 1375379929 /nfs/dbraw/zinc/37/99/29/1375379929.db2.gz FAUKITVBZZVIKR-QZTJIDSGSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001132435497 1375379932 /nfs/dbraw/zinc/37/99/32/1375379932.db2.gz FAUKITVBZZVIKR-QZTJIDSGSA-N 2 1 325.541 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2c(C)cccc2C)C1 ZINC001132440450 1375383543 /nfs/dbraw/zinc/38/35/43/1375383543.db2.gz AMWKHYLBOXMBFG-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2c(C)cccc2C)C1 ZINC001132440450 1375383548 /nfs/dbraw/zinc/38/35/48/1375383548.db2.gz AMWKHYLBOXMBFG-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(C)cccc2C)C1 ZINC001132440450 1375383554 /nfs/dbraw/zinc/38/35/54/1375383554.db2.gz AMWKHYLBOXMBFG-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cc1 ZINC001227159259 1375400034 /nfs/dbraw/zinc/40/00/34/1375400034.db2.gz YXRAEUAZDHUCDE-RTBURBONSA-N 2 1 345.531 3.242 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF ZINC001227218696 1375408285 /nfs/dbraw/zinc/40/82/85/1375408285.db2.gz YIGLBWJDPOUPFR-IAGOWNOFSA-N 2 1 341.515 3.016 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[N@H+]1CCC1CC1 ZINC001132494660 1375424618 /nfs/dbraw/zinc/42/46/18/1375424618.db2.gz VSLXUCIUOSIOHB-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1CC[NH+](CC2CC(C)C2)CC1 ZINC001227464537 1375433231 /nfs/dbraw/zinc/43/32/31/1375433231.db2.gz LEZVCFAYSAKXOJ-AQFXKWCLSA-N 2 1 346.519 3.023 20 0 EGADMP CCc1ccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)cc1 ZINC001132519442 1375436796 /nfs/dbraw/zinc/43/67/96/1375436796.db2.gz YYBJBASZNARWMU-XLIONFOSSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]2C)cc1 ZINC001132519442 1375436801 /nfs/dbraw/zinc/43/68/01/1375436801.db2.gz YYBJBASZNARWMU-XLIONFOSSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]2C)cc1 ZINC001132519442 1375436803 /nfs/dbraw/zinc/43/68/03/1375436803.db2.gz YYBJBASZNARWMU-XLIONFOSSA-N 2 1 345.531 3.058 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]2C)cc1C ZINC001132519331 1375437153 /nfs/dbraw/zinc/43/71/53/1375437153.db2.gz WUYFXSCYOWOZRT-UYAOXDASSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)cc1C ZINC001132519331 1375437156 /nfs/dbraw/zinc/43/71/56/1375437156.db2.gz WUYFXSCYOWOZRT-UYAOXDASSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)cc1C ZINC001132519331 1375437161 /nfs/dbraw/zinc/43/71/61/1375437161.db2.gz WUYFXSCYOWOZRT-UYAOXDASSA-N 2 1 345.531 3.113 20 0 EGADMP CCc1cccc(C[NH+]2CCC(NC(=O)C(C)(C)[N@H+](C)CC)CC2)c1 ZINC001228053940 1375512331 /nfs/dbraw/zinc/51/23/31/1375512331.db2.gz MDUWSRMDSNTNDG-UHFFFAOYSA-N 2 1 345.531 3.060 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001228138112 1375520433 /nfs/dbraw/zinc/52/04/33/1375520433.db2.gz OKWXFSCGGRHXCX-PTWHKANQSA-N 2 1 349.563 3.482 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790660 1375567378 /nfs/dbraw/zinc/56/73/78/1375567378.db2.gz IZXIRTSCXWIGMJ-MJGOQNOKSA-N 2 1 337.552 3.172 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001228852050 1375693820 /nfs/dbraw/zinc/69/38/20/1375693820.db2.gz GHRIHGGYEVBLAW-IAGOWNOFSA-N 2 1 334.508 3.214 20 0 EGADMP CC(C)[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133012277 1375710014 /nfs/dbraw/zinc/71/00/14/1375710014.db2.gz QMNKJHCTRFZSTO-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ccc3c(c2)CC[NH+](C)C3)C1 ZINC001228943683 1375722737 /nfs/dbraw/zinc/72/27/37/1375722737.db2.gz IGLIEQUXQRQEDN-OXJNMPFZSA-N 2 1 337.467 3.284 20 0 EGADMP C[C@@H](c1ccccn1)[NH+]1CC[C@@H](Oc2ccc3c(c2)CC[N@@H+](C)C3)C1 ZINC001228943683 1375722743 /nfs/dbraw/zinc/72/27/43/1375722743.db2.gz IGLIEQUXQRQEDN-OXJNMPFZSA-N 2 1 337.467 3.284 20 0 EGADMP C[C@@H](c1ccccn1)[NH+]1CC[C@@H](Oc2ccc3c(c2)CC[N@H+](C)C3)C1 ZINC001228943683 1375722749 /nfs/dbraw/zinc/72/27/49/1375722749.db2.gz IGLIEQUXQRQEDN-OXJNMPFZSA-N 2 1 337.467 3.284 20 0 EGADMP C[N@@H+](CC(=O)NC1CC[NH+](CCC2CCCC2)CC1)CC(C)(C)C ZINC001229214071 1375789249 /nfs/dbraw/zinc/78/92/49/1375789249.db2.gz ADUREAPNSRWPBP-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133143263 1375803537 /nfs/dbraw/zinc/80/35/37/1375803537.db2.gz SABWINUATZZQDM-QZTJIDSGSA-N 2 1 346.519 3.047 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC001229869137 1375908402 /nfs/dbraw/zinc/90/84/02/1375908402.db2.gz YRXRJNUXLSEKAY-XUVXKRRUSA-N 2 1 343.515 3.033 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC1CC[NH+](CC=C(C)C)CC1)c1ccccc1 ZINC001230016558 1375931421 /nfs/dbraw/zinc/93/14/21/1375931421.db2.gz PZANKUYFVKCPKJ-FQEVSTJZSA-N 2 1 343.515 3.226 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001230052772 1375936812 /nfs/dbraw/zinc/93/68/12/1375936812.db2.gz JZTSHTSLSSWBCA-UHFFFAOYSA-N 2 1 346.519 3.168 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001230113096 1375946180 /nfs/dbraw/zinc/94/61/80/1375946180.db2.gz QVPLBACURBZKSS-UHFFFAOYSA-N 2 1 345.531 3.232 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC001230274785 1375981449 /nfs/dbraw/zinc/98/14/49/1375981449.db2.gz LGTBJWOYVPHFQT-XUVXKRRUSA-N 2 1 345.531 3.495 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001230287182 1375986082 /nfs/dbraw/zinc/98/60/82/1375986082.db2.gz YQZRYGPYVPXTCM-VAMGGRTRSA-N 2 1 343.515 3.273 20 0 EGADMP Nc1[nH]c2ccc(O[C@H]3[C@@H]4CC[C@H]3C[N@H+](Cc3ccccc3)C4)cc2[nH+]1 ZINC001230517271 1376049748 /nfs/dbraw/zinc/04/97/48/1376049748.db2.gz YJBSELLVHCYCQA-IGOJGBNBSA-N 2 1 348.450 3.435 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2ccnc2)CC1 ZINC001230581203 1376085569 /nfs/dbraw/zinc/08/55/69/1376085569.db2.gz WNKKKUMRBOCMCI-LJQANCHMSA-N 2 1 346.519 3.166 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230617861 1376104033 /nfs/dbraw/zinc/10/40/33/1376104033.db2.gz GZSFYOOSTUSLDG-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001230617861 1376104040 /nfs/dbraw/zinc/10/40/40/1376104040.db2.gz GZSFYOOSTUSLDG-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001230617861 1376104048 /nfs/dbraw/zinc/10/40/48/1376104048.db2.gz GZSFYOOSTUSLDG-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001133845805 1376229057 /nfs/dbraw/zinc/22/90/57/1376229057.db2.gz NOARCNPKKORAML-IAGOWNOFSA-N 2 1 345.531 3.093 20 0 EGADMP c1cc2cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)ncc2[nH]1 ZINC001231668865 1376300364 /nfs/dbraw/zinc/30/03/64/1376300364.db2.gz MEXFZCGGQCFHAG-RTBURBONSA-N 2 1 332.451 3.127 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001327196838 1388437882 /nfs/dbraw/zinc/43/78/82/1388437882.db2.gz XIUZMEUXIJKEEU-UXPWSPDFSA-N 2 1 343.515 3.195 20 0 EGADMP CC(C)(C)OC(=O)N[C@H]1CCCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012242 1376382634 /nfs/dbraw/zinc/38/26/34/1376382634.db2.gz WPALBJNCNWDCHT-HNNXBMFYSA-N 2 1 344.459 3.442 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cc5c[nH+]ccc5[nH]4)C[C@H]3C2)cc1 ZINC001232014198 1376384314 /nfs/dbraw/zinc/38/43/14/1376384314.db2.gz ZXGOMWBMNJYKNH-BGYRXZFFSA-N 2 1 346.478 3.435 20 0 EGADMP CCCCOC(=O)[C@H]1CC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232152485 1376410050 /nfs/dbraw/zinc/41/00/50/1376410050.db2.gz YIAUMZFTTPXEIJ-KRWDZBQOSA-N 2 1 336.451 3.053 20 0 EGADMP COC(=O)/C=C/c1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1 ZINC001233298518 1376608137 /nfs/dbraw/zinc/60/81/37/1376608137.db2.gz NDDJPNNZLLKAPJ-MDZDMXLPSA-N 2 1 344.499 3.425 20 0 EGADMP CCc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001134606961 1376622472 /nfs/dbraw/zinc/62/24/72/1376622472.db2.gz BSXLLFDRMMKLBG-DLBZAZTESA-N 2 1 345.531 3.106 20 0 EGADMP CC[NH+]1CCC(CC2CC[NH+](Cc3cncc(Cl)n3)CC2)CC1 ZINC001233451119 1376649773 /nfs/dbraw/zinc/64/97/73/1376649773.db2.gz XVPRUDDDDIBGFJ-UHFFFAOYSA-N 2 1 336.911 3.464 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+][C@@H](C)c1ccccc1F ZINC001134726072 1376680174 /nfs/dbraw/zinc/68/01/74/1376680174.db2.gz PTBRBEALOCGBRB-HNNXBMFYSA-N 2 1 346.450 3.003 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001134762966 1376707608 /nfs/dbraw/zinc/70/76/08/1376707608.db2.gz IYQHBRBOLATHRF-GOSISDBHSA-N 2 1 337.552 3.172 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCCCC1 ZINC001134774532 1376713497 /nfs/dbraw/zinc/71/34/97/1376713497.db2.gz ZFRFLJXMQVKQSM-HOTGVXAUSA-N 2 1 325.541 3.170 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001134774528 1376714129 /nfs/dbraw/zinc/71/41/29/1376714129.db2.gz ZAFYDDZULGEKLB-FGCJYXMVSA-N 2 1 345.531 3.303 20 0 EGADMP CCc1ccccc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001327245198 1388461164 /nfs/dbraw/zinc/46/11/64/1388461164.db2.gz HLJHOKGVFVGIQD-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccccc1C[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001327245198 1388461169 /nfs/dbraw/zinc/46/11/69/1388461169.db2.gz HLJHOKGVFVGIQD-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccccc1C[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001327245198 1388461172 /nfs/dbraw/zinc/46/11/72/1388461172.db2.gz HLJHOKGVFVGIQD-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001235017134 1376827852 /nfs/dbraw/zinc/82/78/52/1376827852.db2.gz BRHRMJHETGCVCF-QXAKKESOSA-N 2 1 338.495 3.344 20 0 EGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235021303 1376828728 /nfs/dbraw/zinc/82/87/28/1376828728.db2.gz GSFQPLSCZMRREI-OAQYLSRUSA-N 2 1 346.515 3.293 20 0 EGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235021303 1376828735 /nfs/dbraw/zinc/82/87/35/1376828735.db2.gz GSFQPLSCZMRREI-OAQYLSRUSA-N 2 1 346.515 3.293 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CC1CCC(C)(C)CC1)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235338201 1376867845 /nfs/dbraw/zinc/86/78/45/1376867845.db2.gz VQRLBDQTRMLJHN-MOPGFXCFSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C[C@H]1CC[NH+]1CC1=CCCCC1 ZINC001235337608 1376868064 /nfs/dbraw/zinc/86/80/64/1376868064.db2.gz ULSOWMOZWUSWTK-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)C[C@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001235337608 1376868069 /nfs/dbraw/zinc/86/80/69/1376868069.db2.gz ULSOWMOZWUSWTK-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)C[C@H]1CC[N@H+]1CC1=CCCCC1 ZINC001235337608 1376868074 /nfs/dbraw/zinc/86/80/74/1376868074.db2.gz ULSOWMOZWUSWTK-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP [O-]c1cc(F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235428361 1376869944 /nfs/dbraw/zinc/86/99/44/1376869944.db2.gz PORHNILZPFTYEW-STQMWFEESA-N 2 1 326.843 3.396 20 0 EGADMP [O-]c1cc(F)c(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235428361 1376869949 /nfs/dbraw/zinc/86/99/49/1376869949.db2.gz PORHNILZPFTYEW-STQMWFEESA-N 2 1 326.843 3.396 20 0 EGADMP Oc1cccc2ccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)nc12 ZINC001235427734 1376870267 /nfs/dbraw/zinc/87/02/67/1376870267.db2.gz NBDPIRPETJJBMZ-DLBZAZTESA-N 2 1 325.456 3.152 20 0 EGADMP COc1ccc([C@H]2CSCC[N@H+]2Cc2ccc(C[NH3+])cc2)cc1 ZINC001235726070 1376887181 /nfs/dbraw/zinc/88/71/81/1376887181.db2.gz MEKWETDMTOGTAZ-LJQANCHMSA-N 2 1 328.481 3.444 20 0 EGADMP c1ccc(C[C@@H]2C[NH2+]CCN2C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001235846955 1376901695 /nfs/dbraw/zinc/90/16/95/1376901695.db2.gz AMPKTWGEQWPTEO-XZOQPEGZSA-N 2 1 349.522 3.025 20 0 EGADMP CC1(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC[NH2+]CC1 ZINC001236240311 1376944265 /nfs/dbraw/zinc/94/42/65/1376944265.db2.gz NAFRGSHAMDYBHT-JOCHJYFZSA-N 3 1 341.543 3.364 20 0 EGADMP CC1(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC[NH2+]CC1 ZINC001236240311 1376944269 /nfs/dbraw/zinc/94/42/69/1376944269.db2.gz NAFRGSHAMDYBHT-JOCHJYFZSA-N 3 1 341.543 3.364 20 0 EGADMP CC1(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC[NH2+]CC1 ZINC001236240311 1376944274 /nfs/dbraw/zinc/94/42/74/1376944274.db2.gz NAFRGSHAMDYBHT-JOCHJYFZSA-N 3 1 341.543 3.364 20 0 EGADMP CC1(C[N@@H+]2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)CC[NH2+]CC1 ZINC001236240311 1376944276 /nfs/dbraw/zinc/94/42/76/1376944276.db2.gz NAFRGSHAMDYBHT-JOCHJYFZSA-N 2 1 341.543 3.364 20 0 EGADMP CC1(C[N@H+]2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)CC[NH2+]CC1 ZINC001236240311 1376944281 /nfs/dbraw/zinc/94/42/81/1376944281.db2.gz NAFRGSHAMDYBHT-JOCHJYFZSA-N 2 1 341.543 3.364 20 0 EGADMP C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1C1CCCCC1 ZINC001237247800 1376978288 /nfs/dbraw/zinc/97/82/88/1376978288.db2.gz KAYSKMVFNFLORJ-KRWDZBQOSA-N 2 1 327.516 3.171 20 0 EGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(OC)ccc3-c3ccncc3)C[C@@H]2C1 ZINC001238658737 1377000307 /nfs/dbraw/zinc/00/03/07/1377000307.db2.gz QUBVBHVEOVVSLX-KDURUIRLSA-N 2 1 337.467 3.141 20 0 EGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(OC)ccc3-c3ccncc3)C[C@@H]2C1 ZINC001238658737 1377000308 /nfs/dbraw/zinc/00/03/08/1377000308.db2.gz QUBVBHVEOVVSLX-KDURUIRLSA-N 2 1 337.467 3.141 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(OC)ccc3-c3ccncc3)C[C@@H]2C1 ZINC001238658737 1377000310 /nfs/dbraw/zinc/00/03/10/1377000310.db2.gz QUBVBHVEOVVSLX-KDURUIRLSA-N 2 1 337.467 3.141 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(OC)ccc3-c3ccncc3)C[C@@H]2C1 ZINC001238658737 1377000311 /nfs/dbraw/zinc/00/03/11/1377000311.db2.gz QUBVBHVEOVVSLX-KDURUIRLSA-N 2 1 337.467 3.141 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC001246546506 1377052118 /nfs/dbraw/zinc/05/21/18/1377052118.db2.gz GODQDLWYRZIWMM-YZGWKJHDSA-N 3 1 333.495 3.192 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@](F)(C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001246546506 1377052120 /nfs/dbraw/zinc/05/21/20/1377052120.db2.gz GODQDLWYRZIWMM-YZGWKJHDSA-N 3 1 333.495 3.192 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@](F)(C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001246546506 1377052123 /nfs/dbraw/zinc/05/21/23/1377052123.db2.gz GODQDLWYRZIWMM-YZGWKJHDSA-N 3 1 333.495 3.192 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](F)(C[NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246546506 1377052124 /nfs/dbraw/zinc/05/21/24/1377052124.db2.gz GODQDLWYRZIWMM-YZGWKJHDSA-N 3 1 333.495 3.192 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246546506 1377052127 /nfs/dbraw/zinc/05/21/27/1377052127.db2.gz GODQDLWYRZIWMM-YZGWKJHDSA-N 3 1 333.495 3.192 20 0 EGADMP Fc1cccc(C[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)[C@@H]2CCC[NH2+]C2)c1 ZINC001246937507 1377055599 /nfs/dbraw/zinc/05/55/99/1377055599.db2.gz PJPHGQFWFHNAJL-VQTJNVASSA-N 3 1 345.506 3.302 20 0 EGADMP Fc1cccc(C[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)[C@@H]2CCC[NH2+]C2)c1 ZINC001246937507 1377055603 /nfs/dbraw/zinc/05/56/03/1377055603.db2.gz PJPHGQFWFHNAJL-VQTJNVASSA-N 3 1 345.506 3.302 20 0 EGADMP Cc1cc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)ccc1F ZINC001247908857 1377065309 /nfs/dbraw/zinc/06/53/09/1377065309.db2.gz XMZCPLXXCUSTHM-UHFFFAOYSA-N 2 1 344.434 3.116 20 0 EGADMP CCCC[C@H]([NH3+])c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001248157093 1377067037 /nfs/dbraw/zinc/06/70/37/1377067037.db2.gz NHOKOLBBKSDFIM-GLNPCMGASA-N 2 1 327.432 3.388 20 0 EGADMP O[C@]1(C[NH+]2CCC3(CC[C@H](F)C3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252932686 1377093705 /nfs/dbraw/zinc/09/37/05/1377093705.db2.gz WDVCSNNBZRQCRQ-FPOVZHCZSA-N 2 1 346.490 3.228 20 0 EGADMP O[C@]1(C[NH+]2CCC3(CC[C@H](F)C3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252932686 1377093707 /nfs/dbraw/zinc/09/37/07/1377093707.db2.gz WDVCSNNBZRQCRQ-FPOVZHCZSA-N 2 1 346.490 3.228 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 ZINC001254509269 1377105047 /nfs/dbraw/zinc/10/50/47/1377105047.db2.gz XTOFDGXXQHKMNB-AWEZNQCLSA-N 2 1 326.366 3.441 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511121 1377105747 /nfs/dbraw/zinc/10/57/47/1377105747.db2.gz WCDCUFRXLKSRSY-GUDVDZBRSA-N 3 1 333.495 3.382 20 0 EGADMP C[NH+]1CCC[C@@H]([N@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511121 1377105751 /nfs/dbraw/zinc/10/57/51/1377105751.db2.gz WCDCUFRXLKSRSY-GUDVDZBRSA-N 3 1 333.495 3.382 20 0 EGADMP C[NH+]1CCC[C@@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511121 1377105753 /nfs/dbraw/zinc/10/57/53/1377105753.db2.gz WCDCUFRXLKSRSY-GUDVDZBRSA-N 3 1 333.495 3.382 20 0 EGADMP CN1CCC[C@@H]([N@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511121 1377105758 /nfs/dbraw/zinc/10/57/58/1377105758.db2.gz WCDCUFRXLKSRSY-GUDVDZBRSA-N 2 1 333.495 3.382 20 0 EGADMP CN1CCC[C@@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511121 1377105759 /nfs/dbraw/zinc/10/57/59/1377105759.db2.gz WCDCUFRXLKSRSY-GUDVDZBRSA-N 2 1 333.495 3.382 20 0 EGADMP COc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)CC2)c1OC ZINC001254508797 1377105871 /nfs/dbraw/zinc/10/58/71/1377105871.db2.gz MHJAQCXHDRMSDR-JSGCOSHPSA-N 2 1 326.868 3.492 20 0 EGADMP COc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)c1OC ZINC001254508797 1377105874 /nfs/dbraw/zinc/10/58/74/1377105874.db2.gz MHJAQCXHDRMSDR-JSGCOSHPSA-N 2 1 326.868 3.492 20 0 EGADMP C[N@@H+]([C@H]1CCC[NH+](C)CC1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001254529470 1377106412 /nfs/dbraw/zinc/10/64/12/1377106412.db2.gz GHHLFVCTPUKAKH-QFBILLFUSA-N 2 1 339.524 3.192 20 0 EGADMP C[NH+]([C@H]1CCC[N@H+](C)CC1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001254529470 1377106415 /nfs/dbraw/zinc/10/64/15/1377106415.db2.gz GHHLFVCTPUKAKH-QFBILLFUSA-N 2 1 339.524 3.192 20 0 EGADMP C[NH+]([C@H]1CCC[N@@H+](C)CC1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001254529470 1377106420 /nfs/dbraw/zinc/10/64/20/1377106420.db2.gz GHHLFVCTPUKAKH-QFBILLFUSA-N 2 1 339.524 3.192 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CCC(C)(C)C ZINC001135477247 1377111553 /nfs/dbraw/zinc/11/15/53/1377111553.db2.gz UANKSIGBSOOEJW-CVEARBPZSA-N 2 1 327.557 3.273 20 0 EGADMP CCCC(CCC)[N@H+]1CCC[C@]2(C1)COCCN(CCOC)C2 ZINC001257337779 1377114170 /nfs/dbraw/zinc/11/41/70/1377114170.db2.gz NBYCQIROKYLEAX-IBGZPJMESA-N 2 1 326.525 3.016 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CCCC1 ZINC001135583707 1377155115 /nfs/dbraw/zinc/15/51/15/1377155115.db2.gz CUUYEXIFWUTLDN-SJORKVTESA-N 2 1 348.535 3.460 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1sccc1Cl ZINC001135858101 1377236780 /nfs/dbraw/zinc/23/67/80/1377236780.db2.gz SKQRDRAOGCDZTD-QWHCGFSZSA-N 2 1 345.940 3.116 20 0 EGADMP CCCc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC)cc1 ZINC001135860930 1377238239 /nfs/dbraw/zinc/23/82/39/1377238239.db2.gz JSVKNILUCOJQDG-MSOLQXFVSA-N 2 1 347.547 3.354 20 0 EGADMP CCc1ccccc1CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001135860941 1377238318 /nfs/dbraw/zinc/23/83/18/1377238318.db2.gz JTECBGKQHGIKAJ-ZWKOTPCHSA-N 2 1 347.547 3.006 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135861712 1377238652 /nfs/dbraw/zinc/23/86/52/1377238652.db2.gz VYOTUZBCHYUCNX-IRXDYDNUSA-N 2 1 345.531 3.279 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266322505 1377273249 /nfs/dbraw/zinc/27/32/49/1377273249.db2.gz IOEQDGZWABOADM-YOEHRIQHSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266322505 1377273250 /nfs/dbraw/zinc/27/32/50/1377273250.db2.gz IOEQDGZWABOADM-YOEHRIQHSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266322505 1377273254 /nfs/dbraw/zinc/27/32/54/1377273254.db2.gz IOEQDGZWABOADM-YOEHRIQHSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266322505 1377273258 /nfs/dbraw/zinc/27/32/58/1377273258.db2.gz IOEQDGZWABOADM-YOEHRIQHSA-N 2 1 349.906 3.076 20 0 EGADMP CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)c1ccc2ccccc2c1)[NH+](C)C ZINC001266326605 1377273868 /nfs/dbraw/zinc/27/38/68/1377273868.db2.gz FVXNMJXYQXRDCP-JXFKEZNVSA-N 2 1 341.499 3.289 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001266546870 1377330832 /nfs/dbraw/zinc/33/08/32/1377330832.db2.gz YLOAGFIVEUFFQL-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC001266546870 1377330843 /nfs/dbraw/zinc/33/08/43/1377330843.db2.gz YLOAGFIVEUFFQL-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001266546870 1377330847 /nfs/dbraw/zinc/33/08/47/1377330847.db2.gz YLOAGFIVEUFFQL-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[N@H+]1C1CCCC1)c1ccsc1 ZINC001136215242 1377365300 /nfs/dbraw/zinc/36/53/00/1377365300.db2.gz CFQYBUBMOBUCJE-QZTJIDSGSA-N 2 1 349.544 3.264 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001136465501 1377395342 /nfs/dbraw/zinc/39/53/42/1377395342.db2.gz OSMMUMRXTJGOGG-KRWDZBQOSA-N 2 1 347.503 3.260 20 0 EGADMP CCC(CC)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001266877357 1377399036 /nfs/dbraw/zinc/39/90/36/1377399036.db2.gz DFECKXGQKOOJHZ-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP Clc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)nc1 ZINC001136924480 1377440819 /nfs/dbraw/zinc/44/08/19/1377440819.db2.gz AOKGAGKGWDIDQS-UHFFFAOYSA-N 2 1 337.895 3.059 20 0 EGADMP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001267482271 1377446581 /nfs/dbraw/zinc/44/65/81/1377446581.db2.gz QGECOYKXDMOMHH-ROUUACIJSA-N 2 1 339.568 3.466 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2[nH]nc3c2cccc3C)CC1 ZINC001137144813 1377485198 /nfs/dbraw/zinc/48/51/98/1377485198.db2.gz IAEMHMHVUYCFLP-UHFFFAOYSA-N 2 1 335.455 3.314 20 0 EGADMP Oc1cccnc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001138397603 1377717241 /nfs/dbraw/zinc/71/72/41/1377717241.db2.gz XEWKMAPQKRPLBI-OALUTQOASA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cccnc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001138397603 1377717242 /nfs/dbraw/zinc/71/72/42/1377717242.db2.gz XEWKMAPQKRPLBI-OALUTQOASA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cccnc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001138397603 1377717243 /nfs/dbraw/zinc/71/72/43/1377717243.db2.gz XEWKMAPQKRPLBI-OALUTQOASA-N 2 1 337.467 3.131 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc1 ZINC001138549862 1377740954 /nfs/dbraw/zinc/74/09/54/1377740954.db2.gz FHSPAEMTSYQGSW-UHFFFAOYSA-N 3 1 338.499 3.489 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC001139357738 1377873133 /nfs/dbraw/zinc/87/31/33/1377873133.db2.gz BWECWIUYBDOMEA-UHFFFAOYSA-N 2 1 347.466 3.315 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001139670715 1377930953 /nfs/dbraw/zinc/93/09/53/1377930953.db2.gz IIWMARIDCIRQKE-QGZVFWFLSA-N 2 1 337.895 3.461 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001139670715 1377930954 /nfs/dbraw/zinc/93/09/54/1377930954.db2.gz IIWMARIDCIRQKE-QGZVFWFLSA-N 2 1 337.895 3.461 20 0 EGADMP COc1ncc(Cl)cc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001139749911 1377946049 /nfs/dbraw/zinc/94/60/49/1377946049.db2.gz NIXPGYMJVLPBMP-UHFFFAOYSA-N 2 1 325.884 3.296 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(=O)n(C)c3ccccc23)CC1 ZINC001139757817 1377947994 /nfs/dbraw/zinc/94/79/94/1377947994.db2.gz XFURCZQSFGLQJG-UHFFFAOYSA-N 2 1 341.499 3.091 20 0 EGADMP C[N@H+](Cc1cnc(-c2ccccc2F)nc1)CC1CC[NH+](C)CC1 ZINC001140399075 1378057025 /nfs/dbraw/zinc/05/70/25/1378057025.db2.gz PSSVWJRORZNPBU-UHFFFAOYSA-N 2 1 328.435 3.056 20 0 EGADMP COc1cc(F)cc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c1 ZINC001140480733 1378070261 /nfs/dbraw/zinc/07/02/61/1378070261.db2.gz SPMOJQYAQPMSLZ-UHFFFAOYSA-N 2 1 329.419 3.277 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2ccc(O)c(C)c2)CC1 ZINC001140575987 1378088376 /nfs/dbraw/zinc/08/83/76/1378088376.db2.gz GSPKDERHTHTEEC-UHFFFAOYSA-N 2 1 347.547 3.330 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001276162053 1378168697 /nfs/dbraw/zinc/16/86/97/1378168697.db2.gz FGZVAEHUXKUADB-NRFANRHFSA-N 2 1 338.499 3.407 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001276162053 1378168701 /nfs/dbraw/zinc/16/87/01/1378168701.db2.gz FGZVAEHUXKUADB-NRFANRHFSA-N 2 1 338.499 3.407 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001276162053 1378168705 /nfs/dbraw/zinc/16/87/05/1378168705.db2.gz FGZVAEHUXKUADB-NRFANRHFSA-N 2 1 338.499 3.407 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001276162053 1378168708 /nfs/dbraw/zinc/16/87/08/1378168708.db2.gz FGZVAEHUXKUADB-NRFANRHFSA-N 2 1 338.499 3.407 20 0 EGADMP CC[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1)[NH+](CC)CC ZINC001140895870 1378174251 /nfs/dbraw/zinc/17/42/51/1378174251.db2.gz HKYUAWPNFODAEF-AZUAARDMSA-N 2 1 345.531 3.087 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CCC[NH+](CCCC(C)(C)C)C2 ZINC001276886076 1378191734 /nfs/dbraw/zinc/19/17/34/1378191734.db2.gz FWXQUJWSQNIONS-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CCC[N@H+](CCCC(C)(C)C)C2 ZINC001276886076 1378191747 /nfs/dbraw/zinc/19/17/47/1378191747.db2.gz FWXQUJWSQNIONS-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CCC[N@@H+](CCCC(C)(C)C)C2 ZINC001276886076 1378191749 /nfs/dbraw/zinc/19/17/49/1378191749.db2.gz FWXQUJWSQNIONS-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP COc1ccc(-c2cccc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)n2)cc1 ZINC001140959645 1378193308 /nfs/dbraw/zinc/19/33/08/1378193308.db2.gz BCMNJNSKGNGXLA-NRFANRHFSA-N 2 1 337.467 3.285 20 0 EGADMP COc1ccc(-c2cccc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)n2)cc1 ZINC001140959645 1378193313 /nfs/dbraw/zinc/19/33/13/1378193313.db2.gz BCMNJNSKGNGXLA-NRFANRHFSA-N 2 1 337.467 3.285 20 0 EGADMP COc1ccc(-c2cccc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)n2)cc1 ZINC001140959645 1378193321 /nfs/dbraw/zinc/19/33/21/1378193321.db2.gz BCMNJNSKGNGXLA-NRFANRHFSA-N 2 1 337.467 3.285 20 0 EGADMP COc1ccc(-c2cccc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)n2)cc1 ZINC001140959645 1378193327 /nfs/dbraw/zinc/19/33/27/1378193327.db2.gz BCMNJNSKGNGXLA-NRFANRHFSA-N 2 1 337.467 3.285 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCc3ccsc3C2)CC1 ZINC001140974184 1378198006 /nfs/dbraw/zinc/19/80/06/1378198006.db2.gz WVGFGJGHUUJYSZ-UHFFFAOYSA-N 2 1 327.497 3.058 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@@H]2CC[NH+](CC3CCC3)C2)CC1 ZINC001277286464 1378216118 /nfs/dbraw/zinc/21/61/18/1378216118.db2.gz ZXEDPUKKOAGFRE-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001277286464 1378216123 /nfs/dbraw/zinc/21/61/23/1378216123.db2.gz ZXEDPUKKOAGFRE-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001277286464 1378216140 /nfs/dbraw/zinc/21/61/40/1378216140.db2.gz ZXEDPUKKOAGFRE-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[C@@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1COCCO1 ZINC001277524315 1378230274 /nfs/dbraw/zinc/23/02/74/1378230274.db2.gz GHPSAGPDTBHGCX-NWJVMNJYSA-N 2 1 338.536 3.203 20 0 EGADMP COc1cc(Cl)ncc1C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001141341719 1378305755 /nfs/dbraw/zinc/30/57/55/1378305755.db2.gz NJBSTLWXJVIFTQ-UHFFFAOYSA-N 2 1 337.895 3.297 20 0 EGADMP COc1cc(Cl)ncc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001141341266 1378306109 /nfs/dbraw/zinc/30/61/09/1378306109.db2.gz UZKDAOCLWBSCJU-UHFFFAOYSA-N 2 1 325.884 3.296 20 0 EGADMP c1c[nH]c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccn5ccnc5c4)C[C@H]3CC2)c1 ZINC001279357520 1378306701 /nfs/dbraw/zinc/30/67/01/1378306701.db2.gz LWJAGZOFRDSDTD-KDURUIRLSA-N 2 1 349.482 3.006 20 0 EGADMP c1c[nH]c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccn5ccnc5c4)C[C@H]3CC2)c1 ZINC001279357520 1378306706 /nfs/dbraw/zinc/30/67/06/1378306706.db2.gz LWJAGZOFRDSDTD-KDURUIRLSA-N 2 1 349.482 3.006 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(OC4CCOCC4)cc3)C2)CC1 ZINC001141414881 1378321523 /nfs/dbraw/zinc/32/15/23/1378321523.db2.gz ZXKAODZZCRYFNX-UHFFFAOYSA-N 2 1 344.499 3.162 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2[nH]cnc2C(C)(C)C)CC1 ZINC001142217291 1378421866 /nfs/dbraw/zinc/42/18/66/1378421866.db2.gz BIHQLWQDLVGSEV-UHFFFAOYSA-N 2 1 327.476 3.150 20 0 EGADMP CSc1ncc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c(Cl)n1 ZINC001142427644 1378442168 /nfs/dbraw/zinc/44/21/68/1378442168.db2.gz RKFCIZMCUKZXTO-UHFFFAOYSA-N 2 1 342.940 3.404 20 0 EGADMP CSc1ncc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c(Cl)n1 ZINC001142427644 1378442170 /nfs/dbraw/zinc/44/21/70/1378442170.db2.gz RKFCIZMCUKZXTO-UHFFFAOYSA-N 2 1 342.940 3.404 20 0 EGADMP COc1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cc(C(F)(F)F)c1 ZINC001143519704 1378608898 /nfs/dbraw/zinc/60/88/98/1378608898.db2.gz SJHZAMGWOGTLJG-UHFFFAOYSA-N 2 1 328.378 3.242 20 0 EGADMP CN(Cc1[nH+]cn2ccccc12)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001144624863 1378752766 /nfs/dbraw/zinc/75/27/66/1378752766.db2.gz UKIVWADTENFNPU-IBGZPJMESA-N 2 1 334.467 3.288 20 0 EGADMP CN(Cc1[nH+]cn2ccccc12)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001144624863 1378752768 /nfs/dbraw/zinc/75/27/68/1378752768.db2.gz UKIVWADTENFNPU-IBGZPJMESA-N 2 1 334.467 3.288 20 0 EGADMP c1[nH+]c(CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c2ccccn12 ZINC001144624816 1378752816 /nfs/dbraw/zinc/75/28/16/1378752816.db2.gz RSXXJASBBRRRKA-WIYYLYMNSA-N 2 1 332.451 3.041 20 0 EGADMP c1[nH+]c(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c2ccccn12 ZINC001144624816 1378752819 /nfs/dbraw/zinc/75/28/19/1378752819.db2.gz RSXXJASBBRRRKA-WIYYLYMNSA-N 2 1 332.451 3.041 20 0 EGADMP c1cc2cccc(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2[nH]1 ZINC001144712318 1378762682 /nfs/dbraw/zinc/76/26/82/1378762682.db2.gz SEXKXLZEJRLXJB-UHFFFAOYSA-N 2 1 349.482 3.019 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001146591923 1378873334 /nfs/dbraw/zinc/87/33/34/1378873334.db2.gz IJABXWKGKUPWCR-CHWSQXEVSA-N 2 1 345.940 3.115 20 0 EGADMP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001146593823 1378874017 /nfs/dbraw/zinc/87/40/17/1378874017.db2.gz QLIVWWIJMJJBDY-ROUUACIJSA-N 2 1 333.520 3.017 20 0 EGADMP Cc1cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)c(C)s1 ZINC001146603340 1378877209 /nfs/dbraw/zinc/87/72/09/1378877209.db2.gz XEALPTAYKPEWGG-KBPBESRZSA-N 2 1 339.549 3.078 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707698 1378903846 /nfs/dbraw/zinc/90/38/46/1378903846.db2.gz XXXGTBPOURXALS-MSOLQXFVSA-N 2 1 347.547 3.428 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707698 1378903848 /nfs/dbraw/zinc/90/38/48/1378903848.db2.gz XXXGTBPOURXALS-MSOLQXFVSA-N 2 1 347.547 3.428 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCCC1CCCC1 ZINC001147358696 1379008386 /nfs/dbraw/zinc/00/83/86/1379008386.db2.gz IMXFAOKFNFLJHO-LJQANCHMSA-N 2 1 337.552 3.317 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](CC)c1ccccc1 ZINC001147358660 1379008436 /nfs/dbraw/zinc/00/84/36/1379008436.db2.gz HUSUXXGWSLFTBA-UXHICEINSA-N 2 1 345.531 3.498 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCc2ccccc21 ZINC001147359730 1379009143 /nfs/dbraw/zinc/00/91/43/1379009143.db2.gz URHKYPGOYQYZLG-WOJBJXKFSA-N 2 1 343.515 3.034 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001283705650 1379131821 /nfs/dbraw/zinc/13/18/21/1379131821.db2.gz URDBODUPOFALTR-IRXDYDNUSA-N 2 1 345.531 3.015 20 0 EGADMP C[N@@H+](CC(=O)N1CC2(C1)CC[NH+](CC1CCCCC1)C2)CC(C)(C)C ZINC001148315338 1379150343 /nfs/dbraw/zinc/15/03/43/1379150343.db2.gz IZOWZCGLHMBTEJ-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC(=O)N1CC2(C1)CC[N@H+](CC1CCCCC1)C2)CC(C)(C)C ZINC001148315338 1379150348 /nfs/dbraw/zinc/15/03/48/1379150348.db2.gz IZOWZCGLHMBTEJ-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC(=O)N1CC2(C1)CC[N@@H+](CC1CCCCC1)C2)CC(C)(C)C ZINC001148315338 1379150354 /nfs/dbraw/zinc/15/03/54/1379150354.db2.gz IZOWZCGLHMBTEJ-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001148551946 1379209545 /nfs/dbraw/zinc/20/95/45/1379209545.db2.gz YMVJQQWAXAFPBH-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001148551946 1379209549 /nfs/dbraw/zinc/20/95/49/1379209549.db2.gz YMVJQQWAXAFPBH-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001148551946 1379209552 /nfs/dbraw/zinc/20/95/52/1379209552.db2.gz YMVJQQWAXAFPBH-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC1CCC(C)(C)CC1)C2 ZINC001148651519 1379233953 /nfs/dbraw/zinc/23/39/53/1379233953.db2.gz HMLVLPDFPPBMDA-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CC1CCC(C)(C)CC1)C2 ZINC001148651519 1379233956 /nfs/dbraw/zinc/23/39/56/1379233956.db2.gz HMLVLPDFPPBMDA-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CC1CCC(C)(C)CC1)C2 ZINC001148651519 1379233960 /nfs/dbraw/zinc/23/39/60/1379233960.db2.gz HMLVLPDFPPBMDA-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001149137524 1379331978 /nfs/dbraw/zinc/33/19/78/1379331978.db2.gz CJEPNRHJJQNCEE-UYAOXDASSA-N 2 1 345.531 3.278 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001149137524 1379331983 /nfs/dbraw/zinc/33/19/83/1379331983.db2.gz CJEPNRHJJQNCEE-UYAOXDASSA-N 2 1 345.531 3.278 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001149137524 1379331990 /nfs/dbraw/zinc/33/19/90/1379331990.db2.gz CJEPNRHJJQNCEE-UYAOXDASSA-N 2 1 345.531 3.278 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C)cc2C)C[C@H]1C ZINC001284025347 1379373654 /nfs/dbraw/zinc/37/36/54/1379373654.db2.gz IVSDLVGIGLIZAS-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2C(C)C)[C@@H](C)C1 ZINC001327940205 1388628280 /nfs/dbraw/zinc/62/82/80/1388628280.db2.gz LXYMUTVXULMCKG-PXNSSMCTSA-N 2 1 345.531 3.088 20 0 EGADMP CC[N@@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152391562 1379925953 /nfs/dbraw/zinc/92/59/53/1379925953.db2.gz CQIROLOORHIKOV-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152391562 1379925959 /nfs/dbraw/zinc/92/59/59/1379925959.db2.gz CQIROLOORHIKOV-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152391562 1379925961 /nfs/dbraw/zinc/92/59/61/1379925961.db2.gz CQIROLOORHIKOV-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001153653690 1380110674 /nfs/dbraw/zinc/11/06/74/1380110674.db2.gz AJMWODJAXIAHKB-ZHJNCLIFSA-N 2 1 343.531 3.239 20 0 EGADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCCC1 ZINC001153677455 1380113737 /nfs/dbraw/zinc/11/37/37/1380113737.db2.gz FEHCKHPPDRFJRA-AEFFLSMTSA-N 2 1 343.531 3.073 20 0 EGADMP CC[NH+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154033995 1380187281 /nfs/dbraw/zinc/18/72/81/1380187281.db2.gz SJRUDYRITOWFNO-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033501 1380186960 /nfs/dbraw/zinc/18/69/60/1380186960.db2.gz BBWHCFMYJGUGEQ-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154033501 1380186961 /nfs/dbraw/zinc/18/69/61/1380186961.db2.gz BBWHCFMYJGUGEQ-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154033501 1380186962 /nfs/dbraw/zinc/18/69/62/1380186962.db2.gz BBWHCFMYJGUGEQ-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154033995 1380187280 /nfs/dbraw/zinc/18/72/80/1380187280.db2.gz SJRUDYRITOWFNO-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033995 1380187275 /nfs/dbraw/zinc/18/72/75/1380187275.db2.gz SJRUDYRITOWFNO-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178431 1380222167 /nfs/dbraw/zinc/22/21/67/1380222167.db2.gz IYEZIZVHOYZYKE-MRXNPFEDSA-N 2 1 342.487 3.355 20 0 EGADMP CC[N@@H+](Cc1ccccc1C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154579754 1380309055 /nfs/dbraw/zinc/30/90/55/1380309055.db2.gz CCKYADCTZUCACP-GOSISDBHSA-N 2 1 345.531 3.196 20 0 EGADMP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876850 1380370817 /nfs/dbraw/zinc/37/08/17/1380370817.db2.gz XOHMMNGSSYITTM-SJLPKXTDSA-N 2 1 348.535 3.161 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876850 1380370820 /nfs/dbraw/zinc/37/08/20/1380370820.db2.gz XOHMMNGSSYITTM-SJLPKXTDSA-N 2 1 348.535 3.161 20 0 EGADMP [NH3+][C@H]1CCC[C@@H](Nc2[nH+]cnc3c2ccn3Cc2cccc(F)c2)C1 ZINC001154986611 1380385162 /nfs/dbraw/zinc/38/51/62/1380385162.db2.gz UBJFCXWFRSDXPO-JKSUJKDBSA-N 2 1 339.418 3.301 20 0 EGADMP C[C@H]1C[NH2+]CCC[C@H]1CNc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001155024000 1380393103 /nfs/dbraw/zinc/39/31/03/1380393103.db2.gz GLBZWDHNNMLEQD-GJZGRUSLSA-N 2 1 336.911 3.378 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCC1)[NH+](CC)CC ZINC001155180844 1380420316 /nfs/dbraw/zinc/42/03/16/1380420316.db2.gz SYAMIHWEIMTCFJ-AEFFLSMTSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631073 1380476094 /nfs/dbraw/zinc/47/60/94/1380476094.db2.gz IZQVTKNXPQOQNA-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001155790987 1380492480 /nfs/dbraw/zinc/49/24/80/1380492480.db2.gz QEBDZEBWKRYUOK-VQIMIIECSA-N 2 1 331.504 3.061 20 0 EGADMP CC[NH+](CCCCc1ccccc1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156193872 1380539471 /nfs/dbraw/zinc/53/94/71/1380539471.db2.gz JOZOVJGRBUBGMD-LJQANCHMSA-N 2 1 347.547 3.178 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CCCCc1ccccc1 ZINC001156193872 1380539473 /nfs/dbraw/zinc/53/94/73/1380539473.db2.gz JOZOVJGRBUBGMD-LJQANCHMSA-N 2 1 347.547 3.178 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CCCCc1ccccc1 ZINC001156193872 1380539475 /nfs/dbraw/zinc/53/94/75/1380539475.db2.gz JOZOVJGRBUBGMD-LJQANCHMSA-N 2 1 347.547 3.178 20 0 EGADMP CC[NH+](CC1CCC1)[C@H](C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001156318485 1380557456 /nfs/dbraw/zinc/55/74/56/1380557456.db2.gz BYFJDYYKVZTAQI-XLIONFOSSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC1CCC1)c1ccccc1 ZINC001156318485 1380557458 /nfs/dbraw/zinc/55/74/58/1380557458.db2.gz BYFJDYYKVZTAQI-XLIONFOSSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC1)c1ccccc1 ZINC001156318485 1380557460 /nfs/dbraw/zinc/55/74/60/1380557460.db2.gz BYFJDYYKVZTAQI-XLIONFOSSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001156341976 1380561618 /nfs/dbraw/zinc/56/16/18/1380561618.db2.gz PSIVQRAUXAIQCF-WIYYLYMNSA-N 2 1 345.531 3.256 20 0 EGADMP CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001156342267 1380562329 /nfs/dbraw/zinc/56/23/29/1380562329.db2.gz XRNKVSLJMPHXTK-UTKZUKDTSA-N 2 1 345.531 3.090 20 0 EGADMP CC[N@@H+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156466807 1380579711 /nfs/dbraw/zinc/57/97/11/1380579711.db2.gz VRBBUSUADHFWPB-LJQANCHMSA-N 2 1 347.547 3.362 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1cccc(C)c1 ZINC001156510964 1380586070 /nfs/dbraw/zinc/58/60/70/1380586070.db2.gz WLYPUHKMAHTTCX-GOSISDBHSA-N 2 1 333.520 3.054 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(C)c1 ZINC001156510964 1380586071 /nfs/dbraw/zinc/58/60/71/1380586071.db2.gz WLYPUHKMAHTTCX-GOSISDBHSA-N 2 1 333.520 3.054 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(C)c1 ZINC001156510964 1380586073 /nfs/dbraw/zinc/58/60/73/1380586073.db2.gz WLYPUHKMAHTTCX-GOSISDBHSA-N 2 1 333.520 3.054 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)CCCC1CCC1 ZINC001156516727 1380587063 /nfs/dbraw/zinc/58/70/63/1380587063.db2.gz BHRRQYWBGAWOAT-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CCCC1CCC1 ZINC001156516727 1380587066 /nfs/dbraw/zinc/58/70/66/1380587066.db2.gz BHRRQYWBGAWOAT-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CCCC1CCC1 ZINC001156516727 1380587068 /nfs/dbraw/zinc/58/70/68/1380587068.db2.gz BHRRQYWBGAWOAT-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@@H+](Cc1c(C)cc(C)cc1C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157109036 1380777372 /nfs/dbraw/zinc/77/73/72/1380777372.db2.gz HDTLATUSPXRSTP-LJQANCHMSA-N 2 1 347.547 3.279 20 0 EGADMP CC[NH+](Cc1c(C)cc(C)cc1C)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157109036 1380777376 /nfs/dbraw/zinc/77/73/76/1380777376.db2.gz HDTLATUSPXRSTP-LJQANCHMSA-N 2 1 347.547 3.279 20 0 EGADMP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001157965097 1381084104 /nfs/dbraw/zinc/08/41/04/1381084104.db2.gz NMWXTMJEJOTBCX-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157978209 1381090882 /nfs/dbraw/zinc/09/08/82/1381090882.db2.gz PORKNWPEZVYCRM-GUDVDZBRSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001157978209 1381090891 /nfs/dbraw/zinc/09/08/91/1381090891.db2.gz PORKNWPEZVYCRM-GUDVDZBRSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001157978209 1381090896 /nfs/dbraw/zinc/09/08/96/1381090896.db2.gz PORKNWPEZVYCRM-GUDVDZBRSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001158061571 1381116567 /nfs/dbraw/zinc/11/65/67/1381116567.db2.gz ORLUJVJUVQIOAG-MSOLQXFVSA-N 2 1 344.503 3.040 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001158061571 1381116568 /nfs/dbraw/zinc/11/65/68/1381116568.db2.gz ORLUJVJUVQIOAG-MSOLQXFVSA-N 2 1 344.503 3.040 20 0 EGADMP Cc1ccc2cc(Cl)nc(N3CCC([N@@H+]4CC[C@H]([NH3+])C4)CC3)c2c1 ZINC001158260596 1381176863 /nfs/dbraw/zinc/17/68/63/1381176863.db2.gz FXWBBYCMSURCQQ-HNNXBMFYSA-N 2 1 344.890 3.198 20 0 EGADMP Cc1ccc2cc(Cl)nc(N3CCC([N@H+]4CC[C@H]([NH3+])C4)CC3)c2c1 ZINC001158260596 1381176865 /nfs/dbraw/zinc/17/68/65/1381176865.db2.gz FXWBBYCMSURCQQ-HNNXBMFYSA-N 2 1 344.890 3.198 20 0 EGADMP CC1(C)C[C@@H](Nc2nc(N3CCCCC3)cc[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001158267387 1381178721 /nfs/dbraw/zinc/17/87/21/1381178721.db2.gz WUFYXMBEPUHTFA-BEFAXECRSA-N 2 1 331.508 3.423 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001158289310 1381186968 /nfs/dbraw/zinc/18/69/68/1381186968.db2.gz CLOBQKSIPAQSEO-UXHICEINSA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001158419102 1381240240 /nfs/dbraw/zinc/24/02/40/1381240240.db2.gz KMIMMVLJLGYQLC-IHHMQQGQSA-N 2 1 349.563 3.388 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158437765 1381246379 /nfs/dbraw/zinc/24/63/79/1381246379.db2.gz BYKICPCJFPSZCT-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)C/C=C/Cl)[NH+](CC)CC ZINC001158491140 1381266085 /nfs/dbraw/zinc/26/60/85/1381266085.db2.gz LCNBRVMQCNTLDY-NUKLPVDDSA-N 2 1 343.943 3.172 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCC1)[NH+](CC)CC ZINC001158491544 1381266474 /nfs/dbraw/zinc/26/64/74/1381266474.db2.gz RRNJIVZJDAVEOZ-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3NCC[C@H]2CCC[NH2+]2)c1 ZINC001158627616 1381329871 /nfs/dbraw/zinc/32/98/71/1381329871.db2.gz LOGMQYYKFAIRLB-MRXNPFEDSA-N 2 1 339.418 3.173 20 0 EGADMP C[N@@H+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158857297 1381437822 /nfs/dbraw/zinc/43/78/22/1381437822.db2.gz ZLZDEZRFDQJDEF-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001158857297 1381437824 /nfs/dbraw/zinc/43/78/24/1381437824.db2.gz ZLZDEZRFDQJDEF-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001158857297 1381437825 /nfs/dbraw/zinc/43/78/25/1381437825.db2.gz ZLZDEZRFDQJDEF-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001158942837 1381477166 /nfs/dbraw/zinc/47/71/66/1381477166.db2.gz NRAGLYZBXPEGKF-QGZVFWFLSA-N 2 1 349.519 3.458 20 0 EGADMP c1cc(OC[C@@H]2CCCO2)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328412259 1388739951 /nfs/dbraw/zinc/73/99/51/1388739951.db2.gz PRYREBSZXUTSBQ-FQEVSTJZSA-N 2 1 344.499 3.210 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(Nc2ccc(CN3CC[NH2+]CC3)cc2)cc1 ZINC001159509487 1381813144 /nfs/dbraw/zinc/81/31/44/1381813144.db2.gz HYPISHGNGGTYGN-UHFFFAOYSA-N 2 1 347.466 3.330 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]C/C=C\c1ccccc1 ZINC001159902225 1381932469 /nfs/dbraw/zinc/93/24/69/1381932469.db2.gz VCTWXCXWWALAQL-HUQFFUELSA-N 2 1 343.515 3.059 20 0 EGADMP O=C(NCCC[NH2+]CC1CCCCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159907914 1381934188 /nfs/dbraw/zinc/93/41/88/1381934188.db2.gz FIDLVMMXMPANNL-HXUWFJFHSA-N 2 1 349.563 3.460 20 0 EGADMP O=C(NCCC[NH2+]CCCC1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159910787 1381934335 /nfs/dbraw/zinc/93/43/35/1381934335.db2.gz VCTJPLYOSVRCNV-FQEVSTJZSA-N 2 1 349.563 3.460 20 0 EGADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159980546 1381957952 /nfs/dbraw/zinc/95/79/52/1381957952.db2.gz VJQRCBMTJJYLBL-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120386 1382003359 /nfs/dbraw/zinc/00/33/59/1382003359.db2.gz MBARDMWPFOCSRX-HXUWFJFHSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160120386 1382003363 /nfs/dbraw/zinc/00/33/63/1382003363.db2.gz MBARDMWPFOCSRX-HXUWFJFHSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160120386 1382003369 /nfs/dbraw/zinc/00/33/69/1382003369.db2.gz MBARDMWPFOCSRX-HXUWFJFHSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001328469006 1388756708 /nfs/dbraw/zinc/75/67/08/1388756708.db2.gz NUORMDUCHJLXBV-IBGZPJMESA-N 2 1 345.531 3.088 20 0 EGADMP CC(C)[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001328469006 1388756711 /nfs/dbraw/zinc/75/67/11/1388756711.db2.gz NUORMDUCHJLXBV-IBGZPJMESA-N 2 1 345.531 3.088 20 0 EGADMP CC(C)[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001328469006 1388756714 /nfs/dbraw/zinc/75/67/14/1388756714.db2.gz NUORMDUCHJLXBV-IBGZPJMESA-N 2 1 345.531 3.088 20 0 EGADMP c1ccc(C[N@@H+]2CC=C(Nc3cccc4c3[C@@H]3C[NH2+]C[C@@H]3O4)CC2)cc1 ZINC001160397366 1382093085 /nfs/dbraw/zinc/09/30/85/1382093085.db2.gz XTPPXDGBFHMLEE-NQIIRXRSSA-N 2 1 347.462 3.336 20 0 EGADMP CC1CC(C[N@@H+]2CC=C(CCNC(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001160400220 1382094515 /nfs/dbraw/zinc/09/45/15/1382094515.db2.gz LVIMPDPVMBJMFP-UUKMXZOPSA-N 2 1 347.547 3.045 20 0 EGADMP CC1CC(C[NH+]2CC=C(CCNC(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001160400220 1382094521 /nfs/dbraw/zinc/09/45/21/1382094521.db2.gz LVIMPDPVMBJMFP-UUKMXZOPSA-N 2 1 347.547 3.045 20 0 EGADMP CC1CC(C[NH+]2CC=C(CCNC(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001160400220 1382094528 /nfs/dbraw/zinc/09/45/28/1382094528.db2.gz LVIMPDPVMBJMFP-UUKMXZOPSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160406531 1382095166 /nfs/dbraw/zinc/09/51/66/1382095166.db2.gz PMHWJJBTAFURPG-FQQSSWHASA-N 2 1 335.536 3.067 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)N(C)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001160696068 1382173246 /nfs/dbraw/zinc/17/32/46/1382173246.db2.gz UDJAANVFRDYSCU-ICSRJNTNSA-N 2 1 345.531 3.308 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160786899 1382195795 /nfs/dbraw/zinc/19/57/95/1382195795.db2.gz HLXMNXFTMGWVHK-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001160786787 1382196014 /nfs/dbraw/zinc/19/60/14/1382196014.db2.gz DCZCHHFFGLNNHR-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@@H]1CCCC[C@@H]1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC001292582132 1382204242 /nfs/dbraw/zinc/20/42/42/1382204242.db2.gz KAWUSJMGBOBSQL-QRVBRYPASA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[C@@](C)([NH3+])C(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001161058498 1382285516 /nfs/dbraw/zinc/28/55/16/1382285516.db2.gz WPPZOXRNQMGEDP-HXUWFJFHSA-N 2 1 349.494 3.012 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[N@@H+]2CC=C(CCNC(=O)CC[NH+](C)C)CC2)C1 ZINC001161106745 1382298605 /nfs/dbraw/zinc/29/86/05/1382298605.db2.gz JEJZUAKLTGFSFX-QUCCMNQESA-N 2 1 349.563 3.293 20 0 EGADMP CCOc1cc[nH+]c(N[C@H]2CC[N@H+](Cc3cccc(OC)c3)C2)c1 ZINC001161187904 1382333428 /nfs/dbraw/zinc/33/34/28/1382333428.db2.gz LCBMELMGSXEWDF-INIZCTEOSA-N 2 1 327.428 3.175 20 0 EGADMP CCOc1cc[nH+]c(N[C@H]2CC[N@@H+](Cc3cccc(OC)c3)C2)c1 ZINC001161187904 1382333434 /nfs/dbraw/zinc/33/34/34/1382333434.db2.gz LCBMELMGSXEWDF-INIZCTEOSA-N 2 1 327.428 3.175 20 0 EGADMP CCCc1cc(NC2CC[NH+](CC3CCOCC3)CC2)nc(C)[nH+]1 ZINC001161214802 1382344850 /nfs/dbraw/zinc/34/48/50/1382344850.db2.gz GBFCRAQIZVPQCF-UHFFFAOYSA-N 2 1 332.492 3.040 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC001161285008 1382360940 /nfs/dbraw/zinc/36/09/40/1382360940.db2.gz QNRZAXISSPKIKW-SFHVURJKSA-N 2 1 347.503 3.138 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)N1CCC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC001161489902 1382421075 /nfs/dbraw/zinc/42/10/75/1382421075.db2.gz RIZQQEDOKXVIAF-FPOVZHCZSA-N 2 1 345.531 3.437 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC1=CC[NH+](CCC2CC2)CC1 ZINC001161496978 1382423402 /nfs/dbraw/zinc/42/34/02/1382423402.db2.gz MSTFPDMRLYRNQE-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NCCC1=CC[N@H+](CCC2CC2)CC1 ZINC001161496978 1382423407 /nfs/dbraw/zinc/42/34/07/1382423407.db2.gz MSTFPDMRLYRNQE-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001161496978 1382423410 /nfs/dbraw/zinc/42/34/10/1382423410.db2.gz MSTFPDMRLYRNQE-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001161643973 1382468473 /nfs/dbraw/zinc/46/84/73/1382468473.db2.gz GEVCJYJDLBDJBD-LPHOPBHVSA-N 2 1 349.494 3.103 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](CCC2CCCCC2)CC1 ZINC001161645632 1382469695 /nfs/dbraw/zinc/46/96/95/1382469695.db2.gz OKDTTXPLTSGBFI-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@H+](CCC2CCCCC2)CC1 ZINC001161645632 1382469699 /nfs/dbraw/zinc/46/96/99/1382469699.db2.gz OKDTTXPLTSGBFI-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CCC2CCCCC2)CC1 ZINC001161645632 1382469702 /nfs/dbraw/zinc/46/97/02/1382469702.db2.gz OKDTTXPLTSGBFI-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC001294614229 1382480040 /nfs/dbraw/zinc/48/00/40/1382480040.db2.gz KAERTDLMJIRLIU-QUCCMNQESA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001294614229 1382480042 /nfs/dbraw/zinc/48/00/42/1382480042.db2.gz KAERTDLMJIRLIU-QUCCMNQESA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001294614229 1382480044 /nfs/dbraw/zinc/48/00/44/1382480044.db2.gz KAERTDLMJIRLIU-QUCCMNQESA-N 2 1 349.563 3.362 20 0 EGADMP O=C(C[NH+]1CCCC1)NCCC1=CC[N@@H+](CCC2=CCCCC2)CC1 ZINC001161879483 1382538156 /nfs/dbraw/zinc/53/81/56/1382538156.db2.gz NIGPHMZYCHBDGI-UHFFFAOYSA-N 2 1 345.531 3.111 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161994031 1382592061 /nfs/dbraw/zinc/59/20/61/1382592061.db2.gz PKJDVOMAVCFPAO-LJQANCHMSA-N 2 1 349.563 3.437 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001328651166 1388797678 /nfs/dbraw/zinc/79/76/78/1388797678.db2.gz QVISJEBDTMYVPE-WMZOPIPTSA-N 2 1 348.535 3.385 20 0 EGADMP COC(=O)c1ccc(-c2ccc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@H]43)[nH+]c2C)cc1 ZINC001162797844 1382875612 /nfs/dbraw/zinc/87/56/12/1382875612.db2.gz PHGHUFPAPSROLV-QXAKKESOSA-N 2 1 349.434 3.030 20 0 EGADMP Cc1cc(C(F)(F)F)cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)[nH+]1 ZINC001163049219 1382954547 /nfs/dbraw/zinc/95/45/47/1382954547.db2.gz AHLOIAQHCQIJCS-ZDUSSCGKSA-N 2 1 338.377 3.432 20 0 EGADMP Cc1cc(C)c2[nH+]c(NCC[C@H]3CCOC34C[NH2+]C4)cc(C)c2c1 ZINC001163086326 1382962203 /nfs/dbraw/zinc/96/22/03/1382962203.db2.gz AHBXJSGLXQSJEM-INIZCTEOSA-N 2 1 325.456 3.341 20 0 EGADMP [NH2+]=C(Nc1ccc2c(n1)OCC[NH2+]C2)C12CC3CC(CC(C3)C1)C2 ZINC001163841552 1383128250 /nfs/dbraw/zinc/12/82/50/1383128250.db2.gz PPLSCSUCLAAMKE-UHFFFAOYSA-N 2 1 326.444 3.169 20 0 EGADMP CCC(=O)Nc1cc(-n2c(C[NH3+])cc3cc(Cl)ccc32)cc[nH+]1 ZINC001163905156 1383134740 /nfs/dbraw/zinc/13/47/40/1383134740.db2.gz NRGYVUMIOSQKHD-UHFFFAOYSA-N 2 1 328.803 3.486 20 0 EGADMP COc1cc(Cl)cc(C)c1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164210376 1383166169 /nfs/dbraw/zinc/16/61/69/1383166169.db2.gz CAQGUROTPMENBE-UHFFFAOYSA-N 2 1 325.884 3.095 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001164455586 1383188419 /nfs/dbraw/zinc/18/84/19/1383188419.db2.gz DKUMSFXVAQAJOR-FUHWJXTLSA-N 2 1 349.494 3.105 20 0 EGADMP O=C(NCCC[NH2+]Cc1ccsc1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164501113 1383193808 /nfs/dbraw/zinc/19/38/08/1383193808.db2.gz SFYINYCWCGKTNT-SFHVURJKSA-N 2 1 349.544 3.141 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001164508668 1383194818 /nfs/dbraw/zinc/19/48/18/1383194818.db2.gz IADZHVJEBVTKRI-LJQANCHMSA-N 2 1 349.563 3.316 20 0 EGADMP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164514277 1383195140 /nfs/dbraw/zinc/19/51/40/1383195140.db2.gz NZULCAOQBRVZNL-RURPWVQCSA-N 2 1 349.563 3.482 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC1(C[NH2+]C[C@H](C)CC)CC1 ZINC001164578763 1383201326 /nfs/dbraw/zinc/20/13/26/1383201326.db2.gz QLJQYAQTZAAUAW-SJORKVTESA-N 2 1 348.535 3.319 20 0 EGADMP C[N@H+]1CCC[C@H](CCNc2c[nH+]c3cccc(Br)n23)C1 ZINC001165289610 1383266963 /nfs/dbraw/zinc/26/69/63/1383266963.db2.gz GTJNWZMUIMGFAC-GFCCVEGCSA-N 2 1 337.265 3.241 20 0 EGADMP C[N@H+]1CCC[C@H](CCNc2ccc(COC3CC[NH2+]CC3)cc2)C1 ZINC001165291451 1383267500 /nfs/dbraw/zinc/26/75/00/1383267500.db2.gz ZRBLZPKPQOCYKG-QGZVFWFLSA-N 2 1 331.504 3.099 20 0 EGADMP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001165331709 1383274746 /nfs/dbraw/zinc/27/47/46/1383274746.db2.gz ARYCDVDCVJQDPR-GHOSXJJBSA-N 2 1 349.563 3.483 20 0 EGADMP CC(C)=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165484744 1383300899 /nfs/dbraw/zinc/30/08/99/1383300899.db2.gz IGQAZFQZOPZVPK-IBGZPJMESA-N 2 1 347.547 3.236 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001165568281 1383311428 /nfs/dbraw/zinc/31/14/28/1383311428.db2.gz HIIWMBDTUDNHGF-GOSISDBHSA-N 2 1 337.552 3.173 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001165569345 1383311825 /nfs/dbraw/zinc/31/18/25/1383311825.db2.gz XAWDZYYTIGIENS-KRWDZBQOSA-N 2 1 337.552 3.173 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001165569367 1383311920 /nfs/dbraw/zinc/31/19/20/1383311920.db2.gz XTHPWPJGYOXEML-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001165729079 1383334209 /nfs/dbraw/zinc/33/42/09/1383334209.db2.gz YKKADFQLIYIYIJ-YQHFQFMOSA-N 2 1 347.547 3.236 20 0 EGADMP CC(C)[NH+]1CCC(CNc2[nH+]cnc3[nH]c4c(c32)CCCC4)CC1 ZINC001166593494 1383443165 /nfs/dbraw/zinc/44/31/65/1383443165.db2.gz DBODWMOHFAVLKZ-UHFFFAOYSA-N 2 1 327.476 3.369 20 0 EGADMP CCOC(=O)Cc1cc[nH+]c(NCC2CC[NH+](C(C)C)CC2)c1C ZINC001166604009 1383445096 /nfs/dbraw/zinc/44/50/96/1383445096.db2.gz QDQMGEMPPSSMAC-UHFFFAOYSA-N 2 1 333.476 3.028 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001166626588 1383449441 /nfs/dbraw/zinc/44/94/41/1383449441.db2.gz HIHXQWWFHCYYMK-KRWDZBQOSA-N 2 1 343.515 3.034 20 0 EGADMP Cc1ccc(CCC[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001166744542 1383470021 /nfs/dbraw/zinc/47/00/21/1383470021.db2.gz ZFWBRUAAUIEVTK-UHFFFAOYSA-N 2 1 347.547 3.001 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC2(C[NH2+]C[C@H](C)CC)CC2)C1 ZINC001166793255 1383478221 /nfs/dbraw/zinc/47/82/21/1383478221.db2.gz HDIFYWJVLAYWAN-QZTJIDSGSA-N 2 1 337.552 3.031 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793406 1383478291 /nfs/dbraw/zinc/47/82/91/1383478291.db2.gz MNYCQCLOYSRYLB-UEKDZROGSA-N 2 1 349.563 3.341 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCCC2(C[NH2+]CC3CCCCC3)CC2)CC[N@H+]1C ZINC001166842488 1383486408 /nfs/dbraw/zinc/48/64/08/1383486408.db2.gz JPNHNZMZQOSQCQ-HKUYNNGSSA-N 2 1 349.563 3.173 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCCC2(C[NH2+]CCCC3CCC3)CC2)CC[N@H+]1C ZINC001166842509 1383486450 /nfs/dbraw/zinc/48/64/50/1383486450.db2.gz KLZUPTNZZZFWCO-HKUYNNGSSA-N 2 1 349.563 3.173 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001328782128 1388860134 /nfs/dbraw/zinc/86/01/34/1388860134.db2.gz WYHPOJIKDFGUIQ-YLJYHZDGSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001167580688 1383678157 /nfs/dbraw/zinc/67/81/57/1383678157.db2.gz HQCMRNXJBCKEAH-UHFFFAOYSA-N 2 1 346.519 3.383 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001167636346 1383695001 /nfs/dbraw/zinc/69/50/01/1383695001.db2.gz SRHZOERXWAAZDT-LPHOPBHVSA-N 2 1 349.494 3.246 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001167640309 1383695765 /nfs/dbraw/zinc/69/57/65/1383695765.db2.gz MHMGLDRZTYJMGM-UHFFFAOYSA-N 2 1 325.541 3.031 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001167812227 1383746219 /nfs/dbraw/zinc/74/62/19/1383746219.db2.gz ITQQDRUVNRIPIR-UHFFFAOYSA-N 2 1 325.541 3.031 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC001167823290 1383749376 /nfs/dbraw/zinc/74/93/76/1383749376.db2.gz KHKMXADYVIFNCV-JXFKEZNVSA-N 2 1 329.488 3.093 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@]2(C[C@@H](CCOC)CO2)C1 ZINC001167823497 1383749700 /nfs/dbraw/zinc/74/97/00/1383749700.db2.gz LLUSVLSOFIUGMA-XUVXKRRUSA-N 2 1 340.552 3.405 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1 ZINC001167826707 1383750356 /nfs/dbraw/zinc/75/03/56/1383750356.db2.gz QJHAMRLIKQJZNG-HBFSDRIKSA-N 2 1 343.515 3.092 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001167840109 1383755765 /nfs/dbraw/zinc/75/57/65/1383755765.db2.gz DUVCSNDNKNKEHU-BRWVUGGUSA-N 2 1 339.524 3.048 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC001167840104 1383756019 /nfs/dbraw/zinc/75/60/19/1383756019.db2.gz DTVSRZCWQRRZHS-IBGZPJMESA-N 2 1 345.531 3.345 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC001167838024 1383756152 /nfs/dbraw/zinc/75/61/52/1383756152.db2.gz OYPYOSWWZMRNAG-MRXNPFEDSA-N 2 1 337.533 3.016 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC001167841106 1383756812 /nfs/dbraw/zinc/75/68/12/1383756812.db2.gz KEAJDSQNABYEHZ-QFBILLFUSA-N 2 1 332.488 3.269 20 0 EGADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167963815 1383780373 /nfs/dbraw/zinc/78/03/73/1383780373.db2.gz FJKWBLLZBXHBIO-NUIAMIPMSA-N 2 1 349.519 3.037 20 0 EGADMP OC[C@@H](Cc1ccccc1Cl)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967511 1383781396 /nfs/dbraw/zinc/78/13/96/1383781396.db2.gz GJECULRKYBSZRT-MSRNWOCLSA-N 2 1 348.918 3.238 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001167976339 1383784239 /nfs/dbraw/zinc/78/42/39/1383784239.db2.gz AXDVRBCTYXBVTI-MRXNPFEDSA-N 2 1 334.508 3.045 20 0 EGADMP CCc1noc([C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)n1 ZINC001167994680 1383790685 /nfs/dbraw/zinc/79/06/85/1383790685.db2.gz KDCDSWSEWGTHPE-XNHLSEOASA-N 2 1 344.503 3.217 20 0 EGADMP CCc1noc([C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)n1 ZINC001167994680 1383790688 /nfs/dbraw/zinc/79/06/88/1383790688.db2.gz KDCDSWSEWGTHPE-XNHLSEOASA-N 2 1 344.503 3.217 20 0 EGADMP CCc1noc([C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)n1 ZINC001167994680 1383790690 /nfs/dbraw/zinc/79/06/90/1383790690.db2.gz KDCDSWSEWGTHPE-XNHLSEOASA-N 2 1 344.503 3.217 20 0 EGADMP CC(=O)N(C(C)C)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168003205 1383794190 /nfs/dbraw/zinc/79/41/90/1383794190.db2.gz JVEOLDLDECQZSY-WCRBZPEASA-N 2 1 347.547 3.113 20 0 EGADMP C[C@@H]1CC([NH2+]C[C@H](O)c2ccco2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168008213 1383794625 /nfs/dbraw/zinc/79/46/25/1383794625.db2.gz WQKXHPNSVASNMM-MDZRGWNJSA-N 2 1 328.456 3.344 20 0 EGADMP Cc1nn(C)cc1C[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168011588 1383797167 /nfs/dbraw/zinc/79/71/67/1383797167.db2.gz PTRJYIZLHOWYPH-HZPDHXFCSA-N 2 1 326.488 3.260 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCN2CCC[C@@H](F)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024750 1383799126 /nfs/dbraw/zinc/79/91/26/1383799126.db2.gz IOJHPWBFLQEBAQ-KOUHRCEDSA-N 2 1 347.522 3.452 20 0 EGADMP CC(=O)NCCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168026879 1383799988 /nfs/dbraw/zinc/79/99/88/1383799988.db2.gz LVAOMGHYZBGYKL-RMFSNUHRSA-N 2 1 345.531 3.324 20 0 EGADMP COC(=O)CCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168034074 1383801556 /nfs/dbraw/zinc/80/15/56/1383801556.db2.gz OFSVMPVEEHQMPW-IZZQQSIFSA-N 2 1 332.488 3.361 20 0 EGADMP CC[N@H+]1CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC001168063364 1383808398 /nfs/dbraw/zinc/80/83/98/1383808398.db2.gz AMABMBBWWJOCGZ-GUDVDZBRSA-N 2 1 329.532 3.454 20 0 EGADMP COc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCO[C@@H](C)C2)c1 ZINC001168101230 1383816765 /nfs/dbraw/zinc/81/67/65/1383816765.db2.gz KQZQIIXKDMVGQH-DSLXNQLJSA-N 2 1 332.488 3.335 20 0 EGADMP CC1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)CC1 ZINC001168217877 1383846773 /nfs/dbraw/zinc/84/67/73/1383846773.db2.gz QRJBSWXPHCPGGO-BCKAPOECSA-N 2 1 343.515 3.183 20 0 EGADMP CC1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)CC1 ZINC001168217877 1383846775 /nfs/dbraw/zinc/84/67/75/1383846775.db2.gz QRJBSWXPHCPGGO-BCKAPOECSA-N 2 1 343.515 3.183 20 0 EGADMP CN(C[C@H](O)C[N@H+]1CCC[C@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285327 1383863679 /nfs/dbraw/zinc/86/36/79/1383863679.db2.gz SRHVUSKESHQNDI-FPOVZHCZSA-N 2 1 330.516 3.176 20 0 EGADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285327 1383863684 /nfs/dbraw/zinc/86/36/84/1383863684.db2.gz SRHVUSKESHQNDI-FPOVZHCZSA-N 2 1 330.516 3.176 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285327 1383863689 /nfs/dbraw/zinc/86/36/89/1383863689.db2.gz SRHVUSKESHQNDI-FPOVZHCZSA-N 2 1 330.516 3.176 20 0 EGADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285327 1383863692 /nfs/dbraw/zinc/86/36/92/1383863692.db2.gz SRHVUSKESHQNDI-FPOVZHCZSA-N 2 1 330.516 3.176 20 0 EGADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285327 1383863698 /nfs/dbraw/zinc/86/36/98/1383863698.db2.gz SRHVUSKESHQNDI-FPOVZHCZSA-N 2 1 330.516 3.176 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)CC1 ZINC001168324745 1383873314 /nfs/dbraw/zinc/87/33/14/1383873314.db2.gz WAEQSZKXTJJSDQ-UHFFFAOYSA-N 2 1 339.524 3.191 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001168324017 1383873469 /nfs/dbraw/zinc/87/34/69/1383873469.db2.gz GMJISYKTILJLIU-UHFFFAOYSA-N 2 1 339.524 3.191 20 0 EGADMP CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168329186 1383874596 /nfs/dbraw/zinc/87/45/96/1383874596.db2.gz OXBBXYAKHUSNER-MWXLCCTBSA-N 2 1 329.532 3.456 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001168330555 1383875222 /nfs/dbraw/zinc/87/52/22/1383875222.db2.gz RWYQCIXGCUGBNB-UEKLYDJUSA-N 2 1 327.516 3.066 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC001168330207 1383875372 /nfs/dbraw/zinc/87/53/72/1383875372.db2.gz NHCATPWUHYDNAS-LADRWXRNSA-N 2 1 339.524 3.096 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001168335182 1383875855 /nfs/dbraw/zinc/87/58/55/1383875855.db2.gz AQOBIGGIPASOEL-LJQANCHMSA-N 2 1 347.547 3.237 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001168345271 1383879298 /nfs/dbraw/zinc/87/92/98/1383879298.db2.gz MWXCIBCPMODFRL-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP C[N@H+](CCc1cccc(C(F)(F)F)n1)C1CC[NH+](CC2CC2)CC1 ZINC001168373767 1383888528 /nfs/dbraw/zinc/88/85/28/1383888528.db2.gz UHFXOJXZBMZYLY-UHFFFAOYSA-N 2 1 341.421 3.449 20 0 EGADMP C[N@@H+](CCc1cccc(C(F)(F)F)n1)C1CC[NH+](CC2CC2)CC1 ZINC001168373767 1383888532 /nfs/dbraw/zinc/88/85/32/1383888532.db2.gz UHFXOJXZBMZYLY-UHFFFAOYSA-N 2 1 341.421 3.449 20 0 EGADMP COC(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168389420 1383892596 /nfs/dbraw/zinc/89/25/96/1383892596.db2.gz PIJFXAJYAXENGF-QGZVFWFLSA-N 2 1 344.499 3.315 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3CN(C4CC[NH+](CC5CC5)CC4)C[C@@H]32)cc1 ZINC001168389394 1383892824 /nfs/dbraw/zinc/89/28/24/1383892824.db2.gz NOEIMDZNPMUEFC-IRLDBZIGSA-N 2 1 339.527 3.067 20 0 EGADMP c1ccc(CN2CC[C@@H]3C[N@@H+](C4CC[NH+](CC5CC5)CC4)C[C@@H]32)cc1 ZINC001168389394 1383892826 /nfs/dbraw/zinc/89/28/26/1383892826.db2.gz NOEIMDZNPMUEFC-IRLDBZIGSA-N 2 1 339.527 3.067 20 0 EGADMP c1ccc(CN2CC[C@@H]3C[N@H+](C4CC[NH+](CC5CC5)CC4)C[C@@H]32)cc1 ZINC001168389394 1383892830 /nfs/dbraw/zinc/89/28/30/1383892830.db2.gz NOEIMDZNPMUEFC-IRLDBZIGSA-N 2 1 339.527 3.067 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CC[NH+]1C1CCCC1 ZINC001306525647 1383894461 /nfs/dbraw/zinc/89/44/61/1383894461.db2.gz YVNBTBNZQLCOKI-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCCCC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001306525647 1383894466 /nfs/dbraw/zinc/89/44/66/1383894466.db2.gz YVNBTBNZQLCOKI-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCCCC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC001306525647 1383894471 /nfs/dbraw/zinc/89/44/71/1383894471.db2.gz YVNBTBNZQLCOKI-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)[N@@H+](C)Cc1nn([C@@H](C)Cc2cccc(F)c2)c2c1CC[NH2+]C2 ZINC001168487714 1383921670 /nfs/dbraw/zinc/92/16/70/1383921670.db2.gz PXRTVOBTTAIHPU-HNNXBMFYSA-N 2 1 344.478 3.312 20 0 EGADMP COc1ccc([C@@H]2C[C@@H]([N@H+](CC[NH3+])Cc3ccccc3)CCO2)cc1 ZINC001168585768 1383942430 /nfs/dbraw/zinc/94/24/30/1383942430.db2.gz RIHDGOYKKIRLIP-FPOVZHCZSA-N 2 1 340.467 3.376 20 0 EGADMP COc1ccc([C@@H]2C[C@@H]([N@@H+](CC[NH3+])Cc3ccccc3)CCO2)cc1 ZINC001168585768 1383942436 /nfs/dbraw/zinc/94/24/36/1383942436.db2.gz RIHDGOYKKIRLIP-FPOVZHCZSA-N 2 1 340.467 3.376 20 0 EGADMP Cc1ccc(F)cc1NC(=O)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001307483591 1383997342 /nfs/dbraw/zinc/99/73/42/1383997342.db2.gz YOKHUGWOMLKOFD-SFHVURJKSA-N 2 1 347.478 3.413 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC1CC[NH+](C2CC2)CC1 ZINC001308188362 1384106882 /nfs/dbraw/zinc/10/68/82/1384106882.db2.gz HBCSJQACXGFYFH-UHFFFAOYSA-N 2 1 329.532 3.361 20 0 EGADMP COCCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC(F)(F)CC1 ZINC001169119613 1384109651 /nfs/dbraw/zinc/10/96/51/1384109651.db2.gz VSWLOZKOJJYJEA-MUJYYYPQSA-N 2 1 330.463 3.433 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169131704 1384111092 /nfs/dbraw/zinc/11/10/92/1384111092.db2.gz XWWCLRASCDHDOI-BJWYYQGGSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169131704 1384111094 /nfs/dbraw/zinc/11/10/94/1384111094.db2.gz XWWCLRASCDHDOI-BJWYYQGGSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169131704 1384111096 /nfs/dbraw/zinc/11/10/96/1384111096.db2.gz XWWCLRASCDHDOI-BJWYYQGGSA-N 2 1 349.519 3.087 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC001169219447 1384123861 /nfs/dbraw/zinc/12/38/61/1384123861.db2.gz BCBPVYGWFQTBKH-WBVHZDCISA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+]1CCC([N@@H+]2CCCC[C@@H]2c2ccc(C(=O)OC)cc2)CC1 ZINC001169267884 1384130079 /nfs/dbraw/zinc/13/00/79/1384130079.db2.gz AWTQFRUBTGNMAU-LJQANCHMSA-N 2 1 330.472 3.485 20 0 EGADMP CC[NH+]1CCC([N@H+]2CCCC[C@@H]2c2ccc(C(=O)OC)cc2)CC1 ZINC001169267884 1384130080 /nfs/dbraw/zinc/13/00/80/1384130080.db2.gz AWTQFRUBTGNMAU-LJQANCHMSA-N 2 1 330.472 3.485 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H]1C[C@@H]1c1ccccc1 ZINC001308740817 1384146294 /nfs/dbraw/zinc/14/62/94/1384146294.db2.gz OMRQWTNVWPWEDR-NJDAHSKKSA-N 2 1 329.532 3.138 20 0 EGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001308793032 1384149976 /nfs/dbraw/zinc/14/99/76/1384149976.db2.gz PTKXZLWSQVWODF-BZUAXINKSA-N 2 1 341.540 3.388 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001308793032 1384149977 /nfs/dbraw/zinc/14/99/77/1384149977.db2.gz PTKXZLWSQVWODF-BZUAXINKSA-N 2 1 341.540 3.388 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001169542432 1384157842 /nfs/dbraw/zinc/15/78/42/1384157842.db2.gz VTXWNSQLKHHJAU-SCTDSRPQSA-N 2 1 345.531 3.180 20 0 EGADMP C[N@H+]1CCCC[C@H]1c1ccc(N2CCCc3ccc(C[NH3+])nc32)nc1 ZINC001169590989 1384162624 /nfs/dbraw/zinc/16/26/24/1384162624.db2.gz SQWGUZORGQTJAB-SFHVURJKSA-N 2 1 337.471 3.176 20 0 EGADMP CCCC[NH+](CCCC)CC[NH2+][C@@H]1CCCN(C(=O)OCC)CC1 ZINC001169647805 1384168515 /nfs/dbraw/zinc/16/85/15/1384168515.db2.gz IHAMFWSUTSQRBR-GOSISDBHSA-N 2 1 341.540 3.489 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169809579 1384187808 /nfs/dbraw/zinc/18/78/08/1384187808.db2.gz JBFCZBMKQSEXMU-IEBWSBKVSA-N 2 1 337.552 3.316 20 0 EGADMP CCc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169810067 1384187842 /nfs/dbraw/zinc/18/78/42/1384187842.db2.gz NYQAFPYQBMGELP-YLJYHZDGSA-N 2 1 345.531 3.108 20 0 EGADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)C1 ZINC001170145897 1384249028 /nfs/dbraw/zinc/24/90/28/1384249028.db2.gz WUZRDQUUGFMOMR-QUCCMNQESA-N 2 1 343.515 3.185 20 0 EGADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CC[C@H]4[C@H](CCN4Cc4nccs4)C3)C[C@@H]21 ZINC001170752065 1384378703 /nfs/dbraw/zinc/37/87/03/1384378703.db2.gz UDBMTMTVYNPPOS-MTSZKFMLSA-N 2 1 331.529 3.474 20 0 EGADMP CC1(C)[C@@H]2C[C@H]([NH+]3C[C@@H]4C[N@H+](CC5CCCC5)CCO[C@@H]4C3)C[C@@H]21 ZINC001170752026 1384379024 /nfs/dbraw/zinc/37/90/24/1384379024.db2.gz SVKUSXMXYPMCAM-UHZRXMQZSA-N 2 1 332.532 3.244 20 0 EGADMP CC1(C)[C@@H]2C[C@H]([NH+]3C[C@@H]4C[N@@H+](CC5CCCC5)CCO[C@@H]4C3)C[C@@H]21 ZINC001170752026 1384379025 /nfs/dbraw/zinc/37/90/25/1384379025.db2.gz SVKUSXMXYPMCAM-UHZRXMQZSA-N 2 1 332.532 3.244 20 0 EGADMP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCc4ccc(Br)cc4C3)C2)C1 ZINC001170886281 1384405543 /nfs/dbraw/zinc/40/55/43/1384405543.db2.gz QIBBUNXUYABIMF-ZWKOTPCHSA-N 2 1 349.316 3.334 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCc4ccc(Br)cc4C3)C2)C1 ZINC001170886281 1384405545 /nfs/dbraw/zinc/40/55/45/1384405545.db2.gz QIBBUNXUYABIMF-ZWKOTPCHSA-N 2 1 349.316 3.334 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCc4ccc(Br)cc4C3)C2)C1 ZINC001170886281 1384405547 /nfs/dbraw/zinc/40/55/47/1384405547.db2.gz QIBBUNXUYABIMF-ZWKOTPCHSA-N 2 1 349.316 3.334 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCc4ccc(Br)cc4C3)C2)C1 ZINC001170886281 1384405549 /nfs/dbraw/zinc/40/55/49/1384405549.db2.gz QIBBUNXUYABIMF-ZWKOTPCHSA-N 2 1 349.316 3.334 20 0 EGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171245964 1384477525 /nfs/dbraw/zinc/47/75/25/1384477525.db2.gz CMCOSARPYFGWSK-IEBWSBKVSA-N 2 1 337.552 3.458 20 0 EGADMP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171245720 1384477714 /nfs/dbraw/zinc/47/77/14/1384477714.db2.gz BFLJGWOOHKGLJE-WYIDIVSCSA-N 2 1 346.519 3.381 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1 ZINC001171248316 1384478100 /nfs/dbraw/zinc/47/81/00/1384478100.db2.gz SERGLIOLNYEUQC-PKOBYXMFSA-N 2 1 337.552 3.314 20 0 EGADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC001171299537 1384488705 /nfs/dbraw/zinc/48/87/05/1384488705.db2.gz QQXOLMBZOYSDCT-AWEZNQCLSA-N 2 1 334.891 3.422 20 0 EGADMP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171317027 1384493472 /nfs/dbraw/zinc/49/34/72/1384493472.db2.gz CTIGKWGGHIYHTC-UYAOXDASSA-N 2 1 345.531 3.326 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171545296 1384558791 /nfs/dbraw/zinc/55/87/91/1384558791.db2.gz DHCOVJXQQNOEOI-MJGOQNOKSA-N 2 1 337.552 3.316 20 0 EGADMP CCc1nnc2ccc(C[NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)cn21 ZINC001171627095 1384585073 /nfs/dbraw/zinc/58/50/73/1384585073.db2.gz JNYHETGYCYLAJE-UHFFFAOYSA-N 2 1 329.492 3.033 20 0 EGADMP C[C@H]1C[C@H](n2nc(-c3ccncc3)cc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171733980 1384619418 /nfs/dbraw/zinc/61/94/18/1384619418.db2.gz KVMKHJFKESZHGB-JXFKEZNVSA-N 2 1 347.466 3.239 20 0 EGADMP CC(C)[N@H+]1CC[C@H](N[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744838 1384623651 /nfs/dbraw/zinc/62/36/51/1384623651.db2.gz IHMJFDJTSGTUAS-ZFMNYDKASA-N 2 1 329.532 3.358 20 0 EGADMP CC(C)[NH+]1CC[C@H](N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744838 1384623653 /nfs/dbraw/zinc/62/36/53/1384623653.db2.gz IHMJFDJTSGTUAS-ZFMNYDKASA-N 2 1 329.532 3.358 20 0 EGADMP CC(C)[NH+]1CC[C@H](N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744838 1384623654 /nfs/dbraw/zinc/62/36/54/1384623654.db2.gz IHMJFDJTSGTUAS-ZFMNYDKASA-N 2 1 329.532 3.358 20 0 EGADMP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744838 1384623655 /nfs/dbraw/zinc/62/36/55/1384623655.db2.gz IHMJFDJTSGTUAS-ZFMNYDKASA-N 2 1 329.532 3.358 20 0 EGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744838 1384623656 /nfs/dbraw/zinc/62/36/56/1384623656.db2.gz IHMJFDJTSGTUAS-ZFMNYDKASA-N 2 1 329.532 3.358 20 0 EGADMP Fc1cccc2c1C[C@@H]([N@H+]1C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C1)C2 ZINC001171797413 1384641487 /nfs/dbraw/zinc/64/14/87/1384641487.db2.gz WBGZRCBQNZBHCK-BBWFWOEESA-N 2 1 342.483 3.418 20 0 EGADMP Fc1cccc2c1C[C@@H]([N@@H+]1C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C1)C2 ZINC001171797413 1384641491 /nfs/dbraw/zinc/64/14/91/1384641491.db2.gz WBGZRCBQNZBHCK-BBWFWOEESA-N 2 1 342.483 3.418 20 0 EGADMP Fc1cccc2c1C[C@@H]([NH+]1C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C1)C2 ZINC001171797413 1384641496 /nfs/dbraw/zinc/64/14/96/1384641496.db2.gz WBGZRCBQNZBHCK-BBWFWOEESA-N 2 1 342.483 3.418 20 0 EGADMP Fc1cccc2c1C[C@@H]([NH+]1C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C1)C2 ZINC001171797413 1384641497 /nfs/dbraw/zinc/64/14/97/1384641497.db2.gz WBGZRCBQNZBHCK-BBWFWOEESA-N 2 1 342.483 3.418 20 0 EGADMP CC1(C)C[C@@H]([NH2+]CCCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC001171966240 1384697206 /nfs/dbraw/zinc/69/72/06/1384697206.db2.gz UIMWCYDZCMRMHD-IBGZPJMESA-N 3 1 326.488 3.306 20 0 EGADMP CC1(C)C[C@@H]([NH2+]CCCn2ccnc2)CCN1Cc1ccccc1 ZINC001171966240 1384697212 /nfs/dbraw/zinc/69/72/12/1384697212.db2.gz UIMWCYDZCMRMHD-IBGZPJMESA-N 3 1 326.488 3.306 20 0 EGADMP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)nc1 ZINC001171963792 1384697240 /nfs/dbraw/zinc/69/72/40/1384697240.db2.gz JJDSJOHSUHFYFR-IBGZPJMESA-N 2 1 338.499 3.360 20 0 EGADMP CC1(C)C[C@@H]([NH2+]C[C@H](O)c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC001171974710 1384701195 /nfs/dbraw/zinc/70/11/95/1384701195.db2.gz AKNYMGROYHYGJO-PMACEKPBSA-N 2 1 339.483 3.148 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977918 1384702179 /nfs/dbraw/zinc/70/21/79/1384702179.db2.gz UWUCDDYLCXRHOF-MISYRCLQSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977918 1384702183 /nfs/dbraw/zinc/70/21/83/1384702183.db2.gz UWUCDDYLCXRHOF-MISYRCLQSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977918 1384702186 /nfs/dbraw/zinc/70/21/86/1384702186.db2.gz UWUCDDYLCXRHOF-MISYRCLQSA-N 2 1 329.532 3.359 20 0 EGADMP CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984342 1384704140 /nfs/dbraw/zinc/70/41/40/1384704140.db2.gz KIYFSHASPJRMAY-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984342 1384704142 /nfs/dbraw/zinc/70/41/42/1384704142.db2.gz KIYFSHASPJRMAY-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP CC(=O)N[C@@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984342 1384704143 /nfs/dbraw/zinc/70/41/43/1384704143.db2.gz KIYFSHASPJRMAY-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP CC(=O)N[C@@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984342 1384704145 /nfs/dbraw/zinc/70/41/45/1384704145.db2.gz KIYFSHASPJRMAY-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP C[N@H+]1CCC[C@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172062757 1384714820 /nfs/dbraw/zinc/71/48/20/1384714820.db2.gz RXCWPCMPFTVOFC-BURNTYAHSA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+]1CCC[C@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062757 1384714822 /nfs/dbraw/zinc/71/48/22/1384714822.db2.gz RXCWPCMPFTVOFC-BURNTYAHSA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+]1CCC[C@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062757 1384714825 /nfs/dbraw/zinc/71/48/25/1384714825.db2.gz RXCWPCMPFTVOFC-BURNTYAHSA-N 2 1 327.516 3.256 20 0 EGADMP CN1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062757 1384714828 /nfs/dbraw/zinc/71/48/28/1384714828.db2.gz RXCWPCMPFTVOFC-BURNTYAHSA-N 2 1 327.516 3.256 20 0 EGADMP CN1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062757 1384714830 /nfs/dbraw/zinc/71/48/30/1384714830.db2.gz RXCWPCMPFTVOFC-BURNTYAHSA-N 2 1 327.516 3.256 20 0 EGADMP O=c1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH]1 ZINC001172066583 1384717050 /nfs/dbraw/zinc/71/70/50/1384717050.db2.gz ZZAGWHZOMGSBSQ-OWZKRDHZSA-N 2 1 337.467 3.463 20 0 EGADMP OCC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172068971 1384717536 /nfs/dbraw/zinc/71/75/36/1384717536.db2.gz MNLQFEFLXPQQGE-AERCQKQUSA-N 2 1 328.500 3.276 20 0 EGADMP OCC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172068971 1384717540 /nfs/dbraw/zinc/71/75/40/1384717540.db2.gz MNLQFEFLXPQQGE-AERCQKQUSA-N 2 1 328.500 3.276 20 0 EGADMP CC(C)(O)[C@H](F)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172071806 1384718589 /nfs/dbraw/zinc/71/85/89/1384718589.db2.gz YXXCDSKHRAEFBY-AKHDSKFASA-N 2 1 334.479 3.271 20 0 EGADMP CC(C)(O)[C@H](F)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172071806 1384718591 /nfs/dbraw/zinc/71/85/91/1384718591.db2.gz YXXCDSKHRAEFBY-AKHDSKFASA-N 2 1 334.479 3.271 20 0 EGADMP C[NH+](C)[C@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172080843 1384722203 /nfs/dbraw/zinc/72/22/03/1384722203.db2.gz YAYIPOXZASHBLY-WOZUAGRISA-N 2 1 327.516 3.208 20 0 EGADMP CN1CC2(C1)CC[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3Cc1ccccc1)C2 ZINC001172084120 1384722343 /nfs/dbraw/zinc/72/23/43/1384722343.db2.gz USGKNAPDJQGCKW-WKCHPHFGSA-N 2 1 339.527 3.210 20 0 EGADMP CN1CC2(C1)CC[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172084120 1384722346 /nfs/dbraw/zinc/72/23/46/1384722346.db2.gz USGKNAPDJQGCKW-WKCHPHFGSA-N 2 1 339.527 3.210 20 0 EGADMP CN1CC2(C1)CC[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172084120 1384722351 /nfs/dbraw/zinc/72/23/51/1384722351.db2.gz USGKNAPDJQGCKW-WKCHPHFGSA-N 2 1 339.527 3.210 20 0 EGADMP CN1CC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001172084120 1384722353 /nfs/dbraw/zinc/72/23/53/1384722353.db2.gz USGKNAPDJQGCKW-WKCHPHFGSA-N 2 1 339.527 3.210 20 0 EGADMP CN1CC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001172084120 1384722356 /nfs/dbraw/zinc/72/23/56/1384722356.db2.gz USGKNAPDJQGCKW-WKCHPHFGSA-N 2 1 339.527 3.210 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001172102221 1384727595 /nfs/dbraw/zinc/72/75/95/1384727595.db2.gz LAGLPUKAQUHZJA-NCYKPQTJSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001172102221 1384727601 /nfs/dbraw/zinc/72/76/01/1384727601.db2.gz LAGLPUKAQUHZJA-NCYKPQTJSA-N 3 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001172102221 1384727608 /nfs/dbraw/zinc/72/76/08/1384727608.db2.gz LAGLPUKAQUHZJA-NCYKPQTJSA-N 3 1 327.516 3.113 20 0 EGADMP CC(C)N(CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC001172109127 1384727922 /nfs/dbraw/zinc/72/79/22/1384727922.db2.gz GSJGTKXEIQSPFC-OSYLJGHBSA-N 2 1 339.524 3.237 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccccc3F)CCOCC1)C2 ZINC001172107776 1384728558 /nfs/dbraw/zinc/72/85/58/1384728558.db2.gz CCRGBWNUIAPOLZ-OSYLJGHBSA-N 2 1 332.463 3.436 20 0 EGADMP CCOC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001172111513 1384730058 /nfs/dbraw/zinc/73/00/58/1384730058.db2.gz RWOKCCMYBVPCIH-AKHDSKFASA-N 2 1 330.472 3.286 20 0 EGADMP CCOC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172111513 1384730060 /nfs/dbraw/zinc/73/00/60/1384730060.db2.gz RWOKCCMYBVPCIH-AKHDSKFASA-N 2 1 330.472 3.286 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3cccc(F)c3)CCOCC1)C2 ZINC001172112077 1384730101 /nfs/dbraw/zinc/73/01/01/1384730101.db2.gz RITFGAIMRSXWBY-LDLYASANSA-N 2 1 332.463 3.436 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3cccc(F)c3)CCOCC1)C2 ZINC001172112077 1384730103 /nfs/dbraw/zinc/73/01/03/1384730103.db2.gz RITFGAIMRSXWBY-LDLYASANSA-N 2 1 332.463 3.436 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(CNC(=O)OC(C)(C)C)CCC1)C2 ZINC001172116232 1384732595 /nfs/dbraw/zinc/73/25/95/1384732595.db2.gz YRYRHOPVODIHJR-PHZGNYQRSA-N 2 1 337.508 3.039 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(CNC(=O)OC(C)(C)C)CCC1)C2 ZINC001172116232 1384732598 /nfs/dbraw/zinc/73/25/98/1384732598.db2.gz YRYRHOPVODIHJR-PHZGNYQRSA-N 2 1 337.508 3.039 20 0 EGADMP CC[C@H](CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)NC(=O)OC(C)(C)C ZINC001172116500 1384733508 /nfs/dbraw/zinc/73/35/08/1384733508.db2.gz HOYGKJLHUOGJOW-WCXIOVBPSA-N 2 1 339.524 3.285 20 0 EGADMP C[C@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC001172127590 1384735978 /nfs/dbraw/zinc/73/59/78/1384735978.db2.gz JOPULIMOXMAXGE-MJUUVYJYSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001172127590 1384735982 /nfs/dbraw/zinc/73/59/82/1384735982.db2.gz JOPULIMOXMAXGE-MJUUVYJYSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001172127590 1384735984 /nfs/dbraw/zinc/73/59/84/1384735984.db2.gz JOPULIMOXMAXGE-MJUUVYJYSA-N 2 1 327.516 3.208 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(Oc3ccc(F)cn3)CC1)C2 ZINC001172130436 1384738264 /nfs/dbraw/zinc/73/82/64/1384738264.db2.gz IIICRFCPWDAQBX-FVQHAEBGSA-N 2 1 333.451 3.079 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(Oc3ccc(F)cn3)CC1)C2 ZINC001172130436 1384738267 /nfs/dbraw/zinc/73/82/67/1384738267.db2.gz IIICRFCPWDAQBX-FVQHAEBGSA-N 2 1 333.451 3.079 20 0 EGADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@H]1CSc2ccccc2C1 ZINC001172205428 1384747560 /nfs/dbraw/zinc/74/75/60/1384747560.db2.gz WKDINNZGDJDNIQ-MRXNPFEDSA-N 3 1 335.561 3.179 20 0 EGADMP c1cncc(C[N@H+]2CCC3(C2)CC[NH+](C2C[C@H]4CC[C@@H](C2)O4)CC3)c1 ZINC001172228112 1384752594 /nfs/dbraw/zinc/75/25/94/1384752594.db2.gz WQFDEQYQOVITEY-IHWFROFDSA-N 2 1 341.499 3.080 20 0 EGADMP CN1CCC([N@@H+](Cc2ccc(F)cc2)C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172230737 1384752923 /nfs/dbraw/zinc/75/29/23/1384752923.db2.gz CJFVLDYQOYAPIP-IHWFROFDSA-N 2 1 332.463 3.432 20 0 EGADMP COCCC[NH+]1CCC([NH+]2CCC(Oc3ccccc3C)CC2)CC1 ZINC001172248792 1384755638 /nfs/dbraw/zinc/75/56/38/1384755638.db2.gz AUHMUXMJTPLYTP-UHFFFAOYSA-N 2 1 346.515 3.339 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H](c3cccc(OC)c3)C2)CC1 ZINC001172253859 1384756683 /nfs/dbraw/zinc/75/66/83/1384756683.db2.gz DJBIKHHPHNCMFR-LJQANCHMSA-N 2 1 346.515 3.376 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H](c3cccc(OC)c3)C2)CC1 ZINC001172253859 1384756685 /nfs/dbraw/zinc/75/66/85/1384756685.db2.gz DJBIKHHPHNCMFR-LJQANCHMSA-N 2 1 346.515 3.376 20 0 EGADMP CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001172315186 1384768088 /nfs/dbraw/zinc/76/80/88/1384768088.db2.gz FZQXFBHSYQGVBL-RTBURBONSA-N 2 1 347.547 3.117 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172333011 1384772030 /nfs/dbraw/zinc/77/20/30/1384772030.db2.gz IZHFPSUAGWZITO-XMTFNYHQSA-N 2 1 326.525 3.331 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CC[C@H](C)[C@H](C)C3)CC2)C1 ZINC001172381780 1384781967 /nfs/dbraw/zinc/78/19/67/1384781967.db2.gz ICCAKCBXLHFXOB-DODZYUBVSA-N 2 1 336.520 3.161 20 0 EGADMP CC[C@H](CC(C)C)[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001172398072 1384783838 /nfs/dbraw/zinc/78/38/38/1384783838.db2.gz NPHGKGYGKFYCIF-GOSISDBHSA-N 2 1 348.535 3.116 20 0 EGADMP CC(C)OCC[C@@H](C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172446999 1384793807 /nfs/dbraw/zinc/79/38/07/1384793807.db2.gz ORFIQYCTABADNC-IAGOWNOFSA-N 2 1 326.525 3.202 20 0 EGADMP CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172629843 1384822716 /nfs/dbraw/zinc/82/27/16/1384822716.db2.gz AJBLRKAWPADOES-IKGGRYGDSA-N 2 1 339.524 3.368 20 0 EGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172629843 1384822718 /nfs/dbraw/zinc/82/27/18/1384822718.db2.gz AJBLRKAWPADOES-IKGGRYGDSA-N 2 1 339.524 3.368 20 0 EGADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172856217 1384866267 /nfs/dbraw/zinc/86/62/67/1384866267.db2.gz FRPPJMHWSADCAG-DAXOMENPSA-N 2 1 340.870 3.381 20 0 EGADMP CC[NH+](CC)C1CC[NH+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172965711 1384892111 /nfs/dbraw/zinc/89/21/11/1384892111.db2.gz VRBQMZQGJBXWGM-INIZCTEOSA-N 2 1 341.540 3.438 20 0 EGADMP C[C@@H]1CC[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)CN1C(=O)OC(C)(C)C ZINC001173073596 1384907869 /nfs/dbraw/zinc/90/78/69/1384907869.db2.gz DOMGEAYRQICLFI-GDBMZVCRSA-N 2 1 348.491 3.311 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173075835 1384908271 /nfs/dbraw/zinc/90/82/71/1384908271.db2.gz LRMGYMPNMFIMLK-SJORKVTESA-N 2 1 341.540 3.438 20 0 EGADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173083289 1384910135 /nfs/dbraw/zinc/91/01/35/1384910135.db2.gz SNOYOLLKSFGZMC-LLVKDONJSA-N 2 1 327.350 3.395 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCCN(Cc3ccncc3)CC2)CC1 ZINC001173108019 1384916445 /nfs/dbraw/zinc/91/64/45/1384916445.db2.gz BGDPKFHKWKYSHR-UHFFFAOYSA-N 2 1 344.547 3.242 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)CC1 ZINC001173111298 1384916748 /nfs/dbraw/zinc/91/67/48/1384916748.db2.gz VDHYHNIDLMWLNN-NSKBAKJYSA-N 2 1 330.516 3.317 20 0 EGADMP CCOC[C@H]1C[N@@H+](C2CCC([NH+](CC)CC)CC2)Cc2ncn(C)c21 ZINC001173109551 1384917061 /nfs/dbraw/zinc/91/70/61/1384917061.db2.gz JMJZJAKNEQOICG-WWDZGPRUSA-N 2 1 348.535 3.009 20 0 EGADMP CCOC[C@H]1C[N@H+](C2CCC([NH+](CC)CC)CC2)Cc2ncn(C)c21 ZINC001173109551 1384917071 /nfs/dbraw/zinc/91/70/71/1384917071.db2.gz JMJZJAKNEQOICG-WWDZGPRUSA-N 2 1 348.535 3.009 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](Oc3ncncc3C)C2)CC1 ZINC001173113100 1384917908 /nfs/dbraw/zinc/91/79/08/1384917908.db2.gz HERFOHJMIKPKCT-ACBHZAAOSA-N 2 1 346.519 3.281 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCc3cnc(C4CC4)nc3C2)CC1 ZINC001173114246 1384917997 /nfs/dbraw/zinc/91/79/97/1384917997.db2.gz BWSINQSFTIUHPA-UHFFFAOYSA-N 2 1 328.504 3.365 20 0 EGADMP c1nc2c(s1)C[C@@H]([NH2+]C1[C@@H]3C[C@H]1C[N@@H+](Cc1ccccc1)C3)CC2 ZINC001173124188 1384919278 /nfs/dbraw/zinc/91/92/78/1384919278.db2.gz LSAVYUMVGVFKAK-XKMFVZKXSA-N 2 1 339.508 3.111 20 0 EGADMP c1nc2c(s1)C[C@@H]([NH2+]C1[C@@H]3C[C@H]1C[N@H+](Cc1ccccc1)C3)CC2 ZINC001173124188 1384919282 /nfs/dbraw/zinc/91/92/82/1384919282.db2.gz LSAVYUMVGVFKAK-XKMFVZKXSA-N 2 1 339.508 3.111 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)[C@@H]2CCc3ncsc3C2)CC1 ZINC001173131619 1384920633 /nfs/dbraw/zinc/92/06/33/1384920633.db2.gz LFJIOGXJUBJSMR-BRWVUGGUSA-N 2 1 342.512 3.168 20 0 EGADMP CC[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001173280985 1384950311 /nfs/dbraw/zinc/95/03/11/1384950311.db2.gz QRGTWSUARNEXMI-CWJKEVGVSA-N 2 1 343.515 3.183 20 0 EGADMP CC[C@@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001173280985 1384950316 /nfs/dbraw/zinc/95/03/16/1384950316.db2.gz QRGTWSUARNEXMI-CWJKEVGVSA-N 2 1 343.515 3.183 20 0 EGADMP CC[C@@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001173280985 1384950317 /nfs/dbraw/zinc/95/03/17/1384950317.db2.gz QRGTWSUARNEXMI-CWJKEVGVSA-N 2 1 343.515 3.183 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(C)ccc1C)[NH+](C)C ZINC001317179485 1384953467 /nfs/dbraw/zinc/95/34/67/1384953467.db2.gz SYLIUOAREGYVPQ-UXHICEINSA-N 2 1 345.531 3.114 20 0 EGADMP COC(=O)CCCC[C@@H](C)N(c1cccc(C)[nH+]1)C1CC[NH2+]CC1 ZINC001173458939 1384975230 /nfs/dbraw/zinc/97/52/30/1384975230.db2.gz KXSWYTIOHVZMPY-MRXNPFEDSA-N 2 1 333.476 3.070 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001317200781 1384977156 /nfs/dbraw/zinc/97/71/56/1384977156.db2.gz UUFZUENDASRVHP-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP COC(=O)c1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC001173721102 1385009128 /nfs/dbraw/zinc/00/91/28/1385009128.db2.gz OKXISJMBIFRQDW-UZLBHIALSA-N 2 1 344.499 3.258 20 0 EGADMP COC(=O)c1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC001173721102 1385009134 /nfs/dbraw/zinc/00/91/34/1385009134.db2.gz OKXISJMBIFRQDW-UZLBHIALSA-N 2 1 344.499 3.258 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001317362867 1385105331 /nfs/dbraw/zinc/10/53/31/1385105331.db2.gz HVIFERPLZFDXJL-WOJBJXKFSA-N 2 1 345.531 3.244 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001317514365 1385228392 /nfs/dbraw/zinc/22/83/92/1385228392.db2.gz VFKOTISYIITYKL-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175256572 1385231105 /nfs/dbraw/zinc/23/11/05/1385231105.db2.gz MGXJADATCQFVPU-OXUXSNCKSA-N 2 1 337.552 3.482 20 0 EGADMP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]2CCC[C@@H]2C)c1 ZINC001175256918 1385231290 /nfs/dbraw/zinc/23/12/90/1385231290.db2.gz QNMBMCIBEYFFGB-OALUTQOASA-N 2 1 345.531 3.244 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001317536397 1385267293 /nfs/dbraw/zinc/26/72/93/1385267293.db2.gz NVFOGDUVJJHCMM-OALUTQOASA-N 2 1 343.515 3.062 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)C1 ZINC001175529613 1385322506 /nfs/dbraw/zinc/32/25/06/1385322506.db2.gz ZUFNKASZNSSURS-LXPRWKDFSA-N 2 1 348.535 3.317 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175703613 1385378215 /nfs/dbraw/zinc/37/82/15/1385378215.db2.gz HMGCKJYYBKFJHA-QGZVFWFLSA-N 2 1 334.508 3.203 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC(C)C ZINC001175738164 1385390449 /nfs/dbraw/zinc/39/04/49/1385390449.db2.gz GVUFOHINBGCOMA-GOSISDBHSA-N 2 1 327.557 3.419 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001335986005 1388983309 /nfs/dbraw/zinc/98/33/09/1388983309.db2.gz IDTWXLGVXWAQLQ-CZUORRHYSA-N 2 1 344.421 3.449 20 0 EGADMP Nc1cccc2[nH+]cn(-c3ccc(OCC[NH+]4CCCCC4)cc3)c21 ZINC001175798986 1385408320 /nfs/dbraw/zinc/40/83/20/1385408320.db2.gz CAODLXUCTHZOAQ-UHFFFAOYSA-N 2 1 336.439 3.472 20 0 EGADMP c1cc(C[NH+]2CCOCC2)cc(Nc2cc[nH+]c(N3CCCC3)c2)c1 ZINC001175857449 1385423022 /nfs/dbraw/zinc/42/30/22/1385423022.db2.gz ZQEVIWZELSPRBH-UHFFFAOYSA-N 2 1 338.455 3.258 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCCc1ccccc1 ZINC001176033592 1385467155 /nfs/dbraw/zinc/46/71/55/1385467155.db2.gz SORQRBRUBQYIOT-IBGZPJMESA-N 2 1 347.547 3.226 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCF ZINC001176112318 1385487714 /nfs/dbraw/zinc/48/77/14/1385487714.db2.gz POEAKPSNMYVPAH-MSOLQXFVSA-N 2 1 343.531 3.265 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001176166578 1385500933 /nfs/dbraw/zinc/50/09/33/1385500933.db2.gz SKDDQMZKRKELEM-AZUAARDMSA-N 2 1 345.531 3.101 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176165242 1385501228 /nfs/dbraw/zinc/50/12/28/1385501228.db2.gz KGGAFHUZJFNXBO-DLBZAZTESA-N 2 1 325.541 3.029 20 0 EGADMP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176165466 1385501198 /nfs/dbraw/zinc/50/11/98/1385501198.db2.gz MPNXPDLGJNIYLR-MJGOQNOKSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1CC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001317809587 1385506828 /nfs/dbraw/zinc/50/68/28/1385506828.db2.gz QBWQFHPNGZTPHK-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC001317809587 1385506832 /nfs/dbraw/zinc/50/68/32/1385506832.db2.gz QBWQFHPNGZTPHK-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001317809587 1385506837 /nfs/dbraw/zinc/50/68/37/1385506837.db2.gz QBWQFHPNGZTPHK-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1 ZINC001176269568 1385533063 /nfs/dbraw/zinc/53/30/63/1385533063.db2.gz VTKAIENMTQHLIQ-QGZVFWFLSA-N 2 1 325.541 3.173 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)cc1 ZINC001176279791 1385536719 /nfs/dbraw/zinc/53/67/19/1385536719.db2.gz QGLWTUMVLHDZRI-GOSISDBHSA-N 2 1 333.520 3.101 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176285740 1385538281 /nfs/dbraw/zinc/53/82/81/1385538281.db2.gz QIEGTSKIVICZEW-GFOMBABLSA-N 2 1 325.541 3.339 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)cc1C ZINC001176286934 1385539484 /nfs/dbraw/zinc/53/94/84/1385539484.db2.gz ZSIGPDHJSCGWCL-IBGZPJMESA-N 2 1 347.547 3.410 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC001318054294 1385618344 /nfs/dbraw/zinc/61/83/44/1385618344.db2.gz KVPQMWGXYDJHIK-HXUWFJFHSA-N 2 1 345.531 3.409 20 0 EGADMP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC001318287380 1385642771 /nfs/dbraw/zinc/64/27/71/1385642771.db2.gz XDILCWSGYAHWHI-MSOLQXFVSA-N 2 1 347.503 3.106 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC001318287380 1385642778 /nfs/dbraw/zinc/64/27/78/1385642778.db2.gz XDILCWSGYAHWHI-MSOLQXFVSA-N 2 1 347.503 3.106 20 0 EGADMP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176753023 1385683463 /nfs/dbraw/zinc/68/34/63/1385683463.db2.gz CFWIJFRKRPNUIW-GOSISDBHSA-N 2 1 333.520 3.100 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]C/C=C\c1ccccc1 ZINC001176754125 1385683728 /nfs/dbraw/zinc/68/37/28/1385683728.db2.gz RCGIGMIGONVQOJ-CPPNXCSESA-N 2 1 345.531 3.305 20 0 EGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176820924 1385714609 /nfs/dbraw/zinc/71/46/09/1385714609.db2.gz ZOPPQHORTDYCKF-SFHVURJKSA-N 2 1 333.520 3.183 20 0 EGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176820924 1385714613 /nfs/dbraw/zinc/71/46/13/1385714613.db2.gz ZOPPQHORTDYCKF-SFHVURJKSA-N 2 1 333.520 3.183 20 0 EGADMP CCc1cccc(C[N@@H+]2CC[C@H](N(CC)C(=O)CC[NH+](C)CC)C2)c1 ZINC001318486294 1385719241 /nfs/dbraw/zinc/71/92/41/1385719241.db2.gz XAMRLGGEZNFFCD-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1cccc(C[NH+]2CC[C@H](N(CC)C(=O)CC[N@H+](C)CC)C2)c1 ZINC001318486294 1385719245 /nfs/dbraw/zinc/71/92/45/1385719245.db2.gz XAMRLGGEZNFFCD-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1cccc(C[NH+]2CC[C@H](N(CC)C(=O)CC[N@@H+](C)CC)C2)c1 ZINC001318486294 1385719247 /nfs/dbraw/zinc/71/92/47/1385719247.db2.gz XAMRLGGEZNFFCD-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001177357105 1385928408 /nfs/dbraw/zinc/92/84/08/1385928408.db2.gz WBFRNAPOCYNFIO-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH2+]CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001178528440 1386241876 /nfs/dbraw/zinc/24/18/76/1386241876.db2.gz YWKFOHOOSZNSMZ-QGZVFWFLSA-N 2 1 336.524 3.463 20 0 EGADMP CC(C)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001178693578 1386280516 /nfs/dbraw/zinc/28/05/16/1386280516.db2.gz WRTRTZSCBCOQDW-LJQANCHMSA-N 2 1 337.552 3.316 20 0 EGADMP C[N@@H+](CC(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCC1 ZINC001178705366 1386284444 /nfs/dbraw/zinc/28/44/44/1386284444.db2.gz NRXYRABVPVADBN-QRVBRYPASA-N 2 1 349.563 3.173 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2)C1 ZINC001319828143 1386320959 /nfs/dbraw/zinc/32/09/59/1386320959.db2.gz UBOHRDHUUJCFQB-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178832696 1386321003 /nfs/dbraw/zinc/32/10/03/1386321003.db2.gz HTNSCTBGSGFJBK-SFHVURJKSA-N 2 1 325.541 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CCC2CC2)CC1 ZINC001319880154 1386356318 /nfs/dbraw/zinc/35/63/18/1386356318.db2.gz IDYDECSPRGINQR-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CCC2CC2)CC1 ZINC001319880154 1386356321 /nfs/dbraw/zinc/35/63/21/1386356321.db2.gz IDYDECSPRGINQR-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CCC2CC2)CC1 ZINC001319880154 1386356327 /nfs/dbraw/zinc/35/63/27/1386356327.db2.gz IDYDECSPRGINQR-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2-n2nnc3ccccc32)C1 ZINC001179160027 1386413996 /nfs/dbraw/zinc/41/39/96/1386413996.db2.gz SLECQMSFEXBNLO-QGZVFWFLSA-N 2 1 349.482 3.242 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001320016345 1386453860 /nfs/dbraw/zinc/45/38/60/1386453860.db2.gz OPAAOJPSINRQMU-IBGZPJMESA-N 2 1 343.515 3.156 20 0 EGADMP CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001179358113 1386462275 /nfs/dbraw/zinc/46/22/75/1386462275.db2.gz VYKQLUVISDLXCH-GOSISDBHSA-N 2 1 325.541 3.175 20 0 EGADMP CCc1ccccc1C[N@@H+](C)CCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001320042012 1386470359 /nfs/dbraw/zinc/47/03/59/1386470359.db2.gz KBXROPCIGDJVLT-UHFFFAOYSA-N 2 1 347.547 3.117 20 0 EGADMP CCc1ccccc1C[NH+](C)CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001320042012 1386470364 /nfs/dbraw/zinc/47/03/64/1386470364.db2.gz KBXROPCIGDJVLT-UHFFFAOYSA-N 2 1 347.547 3.117 20 0 EGADMP CCc1ccccc1C[NH+](C)CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001320042012 1386470368 /nfs/dbraw/zinc/47/03/68/1386470368.db2.gz KBXROPCIGDJVLT-UHFFFAOYSA-N 2 1 347.547 3.117 20 0 EGADMP CCC/C=C/CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001179580619 1386521275 /nfs/dbraw/zinc/52/12/75/1386521275.db2.gz KESPRBIFVUVZCW-ZMBJWTFHSA-N 2 1 337.552 3.483 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCCCCC[NH2+]Cc1ccc(F)cc1 ZINC001179580984 1386522143 /nfs/dbraw/zinc/52/21/43/1386522143.db2.gz YWLAYAKMVMDHQC-QGZVFWFLSA-N 2 1 349.494 3.076 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001179585456 1386523138 /nfs/dbraw/zinc/52/31/38/1386523138.db2.gz IFTAMWUGUFTUIY-MSOLQXFVSA-N 2 1 339.568 3.277 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001179591222 1386526094 /nfs/dbraw/zinc/52/60/94/1386526094.db2.gz PZHBIVSNSYYDAC-IEBWSBKVSA-N 2 1 337.552 3.031 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]1C ZINC001179632707 1386536159 /nfs/dbraw/zinc/53/61/59/1386536159.db2.gz CWGFUGXICOPADN-HOTGVXAUSA-N 2 1 334.508 3.022 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([NH2+]C[C@@H](C)CC(C)C)[C@@H]1C ZINC001179720001 1386564418 /nfs/dbraw/zinc/56/44/18/1386564418.db2.gz SVZCBWUNMJHIHC-LNLFQRSKSA-N 2 1 348.535 3.233 20 0 EGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001179777186 1386581754 /nfs/dbraw/zinc/58/17/54/1386581754.db2.gz PSUOCNAFSMKLIO-LAQIPUCWSA-N 2 1 334.508 3.211 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179788152 1386585691 /nfs/dbraw/zinc/58/56/91/1386585691.db2.gz OLRQNURTHDTPOQ-WOJBJXKFSA-N 2 1 349.563 3.460 20 0 EGADMP CCc1ccccc1C[NH2+]CCCCCCNC(=O)CC[N@H+](C)CC ZINC001179991949 1386661482 /nfs/dbraw/zinc/66/14/82/1386661482.db2.gz FOMZJNYOCRTJIH-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H](NC[C@H]1CCC[N@@H+](CC)C1)CCC2 ZINC001320861716 1386740828 /nfs/dbraw/zinc/74/08/28/1386740828.db2.gz FDLSKJCCRQECFL-CVEARBPZSA-N 2 1 348.487 3.464 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)CCC2 ZINC001320861716 1386740833 /nfs/dbraw/zinc/74/08/33/1386740833.db2.gz FDLSKJCCRQECFL-CVEARBPZSA-N 2 1 348.487 3.464 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001180278495 1386753876 /nfs/dbraw/zinc/75/38/76/1386753876.db2.gz IESBEGUFZNVJSL-UHFFFAOYSA-N 2 1 334.508 3.038 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)cc2)C1 ZINC001321196835 1386838270 /nfs/dbraw/zinc/83/82/70/1386838270.db2.gz UDTVXEBSGNAUTM-SFHVURJKSA-N 2 1 326.488 3.251 20 0 EGADMP CC(C)[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001181468239 1386999222 /nfs/dbraw/zinc/99/92/22/1386999222.db2.gz TUDZOIKEQBHONI-DBXWQHBBSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001181729214 1387046990 /nfs/dbraw/zinc/04/69/90/1387046990.db2.gz YQPQWIGFICDVTA-SLYNCCJLSA-N 2 1 349.563 3.124 20 0 EGADMP CCCCC[NH2+]C[C@]1(C)CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001181793565 1387056251 /nfs/dbraw/zinc/05/62/51/1387056251.db2.gz WMGBWJLKGHOBJA-WSTZPKSXSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)Cc1ccccc1 ZINC001181866462 1387066224 /nfs/dbraw/zinc/06/62/24/1387066224.db2.gz XJWWTRYBHQTKCN-UHFFFAOYSA-N 2 1 333.520 3.089 20 0 EGADMP CCCCC[NH+](C)CCC(=O)N(C)CC[N@H+](C)Cc1ccccc1 ZINC001181866462 1387066228 /nfs/dbraw/zinc/06/62/28/1387066228.db2.gz XJWWTRYBHQTKCN-UHFFFAOYSA-N 2 1 333.520 3.089 20 0 EGADMP CCCCC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)Cc1ccccc1 ZINC001181866462 1387066231 /nfs/dbraw/zinc/06/62/31/1387066231.db2.gz XJWWTRYBHQTKCN-UHFFFAOYSA-N 2 1 333.520 3.089 20 0 EGADMP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001181942046 1387080195 /nfs/dbraw/zinc/08/01/95/1387080195.db2.gz WWIUDEBFJFUJDV-YLJYHZDGSA-N 2 1 339.568 3.371 20 0 EGADMP Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)c(C)c1 ZINC001322245642 1387119421 /nfs/dbraw/zinc/11/94/21/1387119421.db2.gz YYVRNCHFNBYKBV-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1ccc(C[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)c(C)c1 ZINC001322245642 1387119422 /nfs/dbraw/zinc/11/94/22/1387119422.db2.gz YYVRNCHFNBYKBV-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1ccc(C[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)c(C)c1 ZINC001322245642 1387119426 /nfs/dbraw/zinc/11/94/26/1387119426.db2.gz YYVRNCHFNBYKBV-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP C[C@H](C[N@@H+](C)CCC1CCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001322261662 1387127281 /nfs/dbraw/zinc/12/72/81/1387127281.db2.gz JNCXYWUFSUIUPC-QGZVFWFLSA-N 2 1 345.531 3.379 20 0 EGADMP CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001182346725 1387153884 /nfs/dbraw/zinc/15/38/84/1387153884.db2.gz UVKLRDVUGOABHJ-SLYNCCJLSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001322393449 1387178104 /nfs/dbraw/zinc/17/81/04/1387178104.db2.gz XJLZVXGRQINJLJ-AKHDSKFASA-N 2 1 335.536 3.115 20 0 EGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC001329618690 1389187323 /nfs/dbraw/zinc/18/73/23/1389187323.db2.gz BSUPQGKQUBIOSF-ADZOXNECSA-N 2 1 341.499 3.282 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)C[C@@H]2C1 ZINC001336888620 1389196996 /nfs/dbraw/zinc/19/69/96/1389196996.db2.gz KNFDDVOJLUAUOX-OFQRWUPVSA-N 2 1 330.501 3.300 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@H]1CCCCC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC001329937275 1389266026 /nfs/dbraw/zinc/26/60/26/1389266026.db2.gz NQIHBNZGONGNMU-WOJBJXKFSA-N 2 1 345.531 3.134 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCCCC[N@H+]1CCC1CCCC1)[NH+](C)C ZINC001329938981 1389267821 /nfs/dbraw/zinc/26/78/21/1389267821.db2.gz SHYWDSLUIUYVJB-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)CC[N@@H+]1C ZINC001330595566 1389465458 /nfs/dbraw/zinc/46/54/58/1389465458.db2.gz AWWCVXMEABMGIK-KPFFTGBYSA-N 2 1 338.499 3.381 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)CC[N@H+]1C ZINC001330595566 1389465462 /nfs/dbraw/zinc/46/54/62/1389465462.db2.gz AWWCVXMEABMGIK-KPFFTGBYSA-N 2 1 338.499 3.381 20 0 EGADMP O=C(CC[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)Nc1cccc(Cl)c1 ZINC001338522120 1389700869 /nfs/dbraw/zinc/70/08/69/1389700869.db2.gz TYMAJBXWAAYKMH-MRXNPFEDSA-N 2 1 349.906 3.380 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1Cc1cccc(C)c1)C(C)C ZINC001338887508 1389804864 /nfs/dbraw/zinc/80/48/64/1389804864.db2.gz KMHSMLPDYISLME-HXUWFJFHSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1)C(C)C ZINC001338887508 1389804868 /nfs/dbraw/zinc/80/48/68/1389804868.db2.gz KMHSMLPDYISLME-HXUWFJFHSA-N 2 1 345.531 3.196 20 0 EGADMP C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1CCC1CCCC1 ZINC001332184740 1390028452 /nfs/dbraw/zinc/02/84/52/1390028452.db2.gz KQNMOPUTMNINNK-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cc(O)ccc1F ZINC001332277622 1390074745 /nfs/dbraw/zinc/07/47/45/1390074745.db2.gz NUOYBUVROIRRHZ-HNNXBMFYSA-N 2 1 343.446 3.134 20 0 EGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]([NH3+])CC(C)C ZINC001340105609 1390226972 /nfs/dbraw/zinc/22/69/72/1390226972.db2.gz ONEPGCVTLOWRDV-UXHICEINSA-N 2 1 345.531 3.121 20 0 EGADMP Cc1cccc(C)c1C[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001698769302 1406427628 /nfs/dbraw/zinc/42/76/28/1406427628.db2.gz YKRWKUHNOZWYCD-INIZCTEOSA-N 2 1 347.547 3.123 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC001340515465 1390303794 /nfs/dbraw/zinc/30/37/94/1390303794.db2.gz OEBNVCVFJFZJLI-HUUCEWRRSA-N 2 1 329.488 3.299 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1cccs1 ZINC001333465678 1390311119 /nfs/dbraw/zinc/31/11/19/1390311119.db2.gz MDFAZHCUQPNCEP-INIZCTEOSA-N 2 1 329.513 3.346 20 0 EGADMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC001334309363 1390514738 /nfs/dbraw/zinc/51/47/38/1390514738.db2.gz SNFWIQPPFPBRGT-XUVXKRRUSA-N 2 1 343.515 3.098 20 0 EGADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1OC ZINC001343334536 1390707902 /nfs/dbraw/zinc/70/79/02/1390707902.db2.gz UBHRUJBYBVDNGX-JQHSSLGASA-N 2 1 332.488 3.174 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001344430662 1390791026 /nfs/dbraw/zinc/79/10/26/1390791026.db2.gz YNCBAMOBYWFHBW-IXDOHACOSA-N 2 1 339.524 3.096 20 0 EGADMP Cc1c(C(=O)OC[C@@H]2CC[N@@H+]2Cc2ccccc2)ccc2c[nH+]cn21 ZINC001345065189 1390834702 /nfs/dbraw/zinc/83/47/02/1390834702.db2.gz DOBBRWXSOPTKSN-SFHVURJKSA-N 2 1 335.407 3.074 20 0 EGADMP Cc1c(C(=O)OC[C@@H]2CC[N@H+]2Cc2ccccc2)ccc2c[nH+]cn21 ZINC001345065189 1390834704 /nfs/dbraw/zinc/83/47/04/1390834704.db2.gz DOBBRWXSOPTKSN-SFHVURJKSA-N 2 1 335.407 3.074 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CN3CC[C@@H](C4CCCCC4)C3=O)C[C@H]2C1 ZINC001345108846 1390838115 /nfs/dbraw/zinc/83/81/15/1390838115.db2.gz OSTRWVVPVVJTGU-WTGUMLROSA-N 2 1 347.547 3.035 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC001350925725 1391560342 /nfs/dbraw/zinc/56/03/42/1391560342.db2.gz DCHGCDUEJNMPET-NSBMPJFYSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3CC[C@@H](C2)C3N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001350925725 1391560345 /nfs/dbraw/zinc/56/03/45/1391560345.db2.gz DCHGCDUEJNMPET-NSBMPJFYSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3CC[C@@H](C2)C3N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001350925725 1391560346 /nfs/dbraw/zinc/56/03/46/1391560346.db2.gz DCHGCDUEJNMPET-NSBMPJFYSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC001350925725 1391560349 /nfs/dbraw/zinc/56/03/49/1391560349.db2.gz DCHGCDUEJNMPET-NSBMPJFYSA-N 3 1 339.527 3.113 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC001350925725 1391560350 /nfs/dbraw/zinc/56/03/50/1391560350.db2.gz DCHGCDUEJNMPET-NSBMPJFYSA-N 3 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001350925725 1391560352 /nfs/dbraw/zinc/56/03/52/1391560352.db2.gz DCHGCDUEJNMPET-NSBMPJFYSA-N 3 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001350925725 1391560355 /nfs/dbraw/zinc/56/03/55/1391560355.db2.gz DCHGCDUEJNMPET-NSBMPJFYSA-N 3 1 339.527 3.113 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001479905023 1392472258 /nfs/dbraw/zinc/47/22/58/1392472258.db2.gz MTUMOVMYXRDDRF-PKOBYXMFSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCC[C@@H](NC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001479905023 1392472259 /nfs/dbraw/zinc/47/22/59/1392472259.db2.gz MTUMOVMYXRDDRF-PKOBYXMFSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCC[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001479905023 1392472262 /nfs/dbraw/zinc/47/22/62/1392472262.db2.gz MTUMOVMYXRDDRF-PKOBYXMFSA-N 2 1 343.515 3.121 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC/C=C\c2ccccc2)C1 ZINC001479913930 1392481773 /nfs/dbraw/zinc/48/17/73/1392481773.db2.gz YQVFMOCEPWXSCY-SUJSUNJESA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC/C=C\c2ccccc2)C1 ZINC001479913930 1392481775 /nfs/dbraw/zinc/48/17/75/1392481775.db2.gz YQVFMOCEPWXSCY-SUJSUNJESA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC001479913930 1392481776 /nfs/dbraw/zinc/48/17/76/1392481776.db2.gz YQVFMOCEPWXSCY-SUJSUNJESA-N 2 1 343.515 3.012 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001479957398 1392494159 /nfs/dbraw/zinc/49/41/59/1392494159.db2.gz XNQIYDFIMWBAGW-LXXRFIIISA-N 2 1 335.536 3.186 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001479957398 1392494160 /nfs/dbraw/zinc/49/41/60/1392494160.db2.gz XNQIYDFIMWBAGW-LXXRFIIISA-N 2 1 335.536 3.186 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001479957398 1392494161 /nfs/dbraw/zinc/49/41/61/1392494161.db2.gz XNQIYDFIMWBAGW-LXXRFIIISA-N 2 1 335.536 3.186 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+]1CC1CC1)CC(C)(C)C ZINC001480373857 1392716693 /nfs/dbraw/zinc/71/66/93/1392716693.db2.gz SXBMFZKYYNUVNK-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CC1CC1)CC(C)(C)C ZINC001480373857 1392716696 /nfs/dbraw/zinc/71/66/96/1392716696.db2.gz SXBMFZKYYNUVNK-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+]1CC1CC1)CC(C)(C)C ZINC001480373857 1392716698 /nfs/dbraw/zinc/71/66/98/1392716698.db2.gz SXBMFZKYYNUVNK-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001480740235 1392906247 /nfs/dbraw/zinc/90/62/47/1392906247.db2.gz XARGVAAVNJNCPU-AZUAARDMSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001480740235 1392906250 /nfs/dbraw/zinc/90/62/50/1392906250.db2.gz XARGVAAVNJNCPU-AZUAARDMSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001480740235 1392906252 /nfs/dbraw/zinc/90/62/52/1392906252.db2.gz XARGVAAVNJNCPU-AZUAARDMSA-N 2 1 345.531 3.321 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H]([N@@H+](C)C/C=C\Cl)C2)c1 ZINC001480742452 1392908741 /nfs/dbraw/zinc/90/87/41/1392908741.db2.gz LKTYQEJWPHPUKW-TWVNLXSWSA-N 2 1 349.906 3.037 20 0 EGADMP CCc1cccc(C[N@@H+](CC)CCNC(=O)[C@H]2CCC[NH+]2C(C)C)c1 ZINC001480974768 1393059868 /nfs/dbraw/zinc/05/98/68/1393059868.db2.gz VUXAMYYWBTUTJQ-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[NH+](CC)CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001480974768 1393059873 /nfs/dbraw/zinc/05/98/73/1393059873.db2.gz VUXAMYYWBTUTJQ-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[NH+](CC)CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001480974768 1393059877 /nfs/dbraw/zinc/05/98/77/1393059877.db2.gz VUXAMYYWBTUTJQ-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCC(C)(C)CC1)[NH+](C)C ZINC001481059620 1393109588 /nfs/dbraw/zinc/10/95/88/1393109588.db2.gz UERMZPKRLFELCE-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC001481147584 1393134121 /nfs/dbraw/zinc/13/41/21/1393134121.db2.gz GOCSDRLCNHCRQI-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC001481147584 1393134122 /nfs/dbraw/zinc/13/41/22/1393134122.db2.gz GOCSDRLCNHCRQI-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001481231508 1393151752 /nfs/dbraw/zinc/15/17/52/1393151752.db2.gz DHKMHTAPVQLKFH-MBOZVWFJSA-N 2 1 345.531 3.259 20 0 EGADMP CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC)c1ccc(F)cc1 ZINC001481319732 1393163158 /nfs/dbraw/zinc/16/31/58/1393163158.db2.gz LXMZJISJUAWDFQ-RTBURBONSA-N 2 1 349.494 3.199 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC([C@H](C)[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001481344592 1393169281 /nfs/dbraw/zinc/16/92/81/1393169281.db2.gz ZIWMEDYSUAKQOJ-SJORKVTESA-N 2 1 348.535 3.090 20 0 EGADMP CCCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001481404076 1394257194 /nfs/dbraw/zinc/25/71/94/1394257194.db2.gz VJNMMWMVRKRXGA-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001481695450 1394455809 /nfs/dbraw/zinc/45/58/09/1394455809.db2.gz KAUUHSSECMTORE-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@@H](CC)c2ccccc2)C1 ZINC001481695450 1394455811 /nfs/dbraw/zinc/45/58/11/1394455811.db2.gz KAUUHSSECMTORE-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC001481695450 1394455815 /nfs/dbraw/zinc/45/58/15/1394455815.db2.gz KAUUHSSECMTORE-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](CCCC3CCC3)C2)CCCCC1 ZINC001481704920 1394463914 /nfs/dbraw/zinc/46/39/14/1394463914.db2.gz QRGOAGMKTRDMQB-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001481710050 1394469091 /nfs/dbraw/zinc/46/90/91/1394469091.db2.gz SAGNKWDWGFTPFM-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP CCc1cccc(C[NH+]2CCCC[C@@H]2CNC(=O)CC[N@H+](C)CC)c1 ZINC001491228531 1394483696 /nfs/dbraw/zinc/48/36/96/1394483696.db2.gz BEWRBKWPBJMXFZ-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCc1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH+](C)CC)c1 ZINC001491228531 1394483700 /nfs/dbraw/zinc/48/37/00/1394483700.db2.gz BEWRBKWPBJMXFZ-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCc1cccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH+](C)CC)c1 ZINC001491228531 1394483702 /nfs/dbraw/zinc/48/37/02/1394483702.db2.gz BEWRBKWPBJMXFZ-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccccc1C1CC1 ZINC001481840291 1394553611 /nfs/dbraw/zinc/55/36/11/1394553611.db2.gz DYEOOUPOEMHTEN-QUCCMNQESA-N 2 1 343.515 3.033 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2c(C)cccc2C)CCCC1 ZINC001482237528 1394833757 /nfs/dbraw/zinc/83/37/57/1394833757.db2.gz ZTSJKSXDQNMRPN-UHFFFAOYSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)C[N@@H+](C)CCC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001482508902 1395062803 /nfs/dbraw/zinc/06/28/03/1395062803.db2.gz LIGOOWFJLSMJPH-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1c(C)cc(C)cc1C ZINC001483950408 1395158686 /nfs/dbraw/zinc/15/86/86/1395158686.db2.gz MUAHSSIDVVLYGV-LJQANCHMSA-N 2 1 345.531 3.034 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@]2(C)CC[N@@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001484059275 1395221370 /nfs/dbraw/zinc/22/13/70/1395221370.db2.gz QMKQHCGHWQKDLB-HXUWFJFHSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001484324101 1395341355 /nfs/dbraw/zinc/34/13/55/1395341355.db2.gz OKGAQYISQUZZBD-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@H]2CCC[NH+](CC3CCC3)C2)C1 ZINC001484770585 1395530014 /nfs/dbraw/zinc/53/00/14/1395530014.db2.gz GZZAUYGEOMZYKP-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](CC3CCC3)C2)C1 ZINC001484770585 1395530018 /nfs/dbraw/zinc/53/00/18/1395530018.db2.gz GZZAUYGEOMZYKP-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC001484770585 1395530021 /nfs/dbraw/zinc/53/00/21/1395530021.db2.gz GZZAUYGEOMZYKP-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[C@H](C[NH2+]Cc1ccc(C)cc1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001485465706 1395940822 /nfs/dbraw/zinc/94/08/22/1395940822.db2.gz MIPINEFQRGLVQM-UXHICEINSA-N 2 1 345.531 3.244 20 0 EGADMP CC(C)C[NH2+]CCC[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001485778381 1396148746 /nfs/dbraw/zinc/14/87/46/1396148746.db2.gz DZEIPRMTFKIPHD-PMACEKPBSA-N 2 1 345.531 3.354 20 0 EGADMP CCc1ccccc1C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001699001685 1406813042 /nfs/dbraw/zinc/81/30/42/1406813042.db2.gz NWRCSDJOTIYSEL-FQEVSTJZSA-N 2 1 345.531 3.012 20 0 EGADMP CCc1ccccc1C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001699001685 1406813045 /nfs/dbraw/zinc/81/30/45/1406813045.db2.gz NWRCSDJOTIYSEL-FQEVSTJZSA-N 2 1 345.531 3.012 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1ccccc1C ZINC001505410632 1396294773 /nfs/dbraw/zinc/29/47/73/1396294773.db2.gz JIILQJAABIXBTA-MOPGFXCFSA-N 2 1 345.531 3.369 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CC1CCC1 ZINC001493006336 1396331523 /nfs/dbraw/zinc/33/15/23/1396331523.db2.gz GVBFEYIENCVXGA-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)CC1CCC1 ZINC001493006336 1396331524 /nfs/dbraw/zinc/33/15/24/1396331524.db2.gz GVBFEYIENCVXGA-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)CC1CCC1 ZINC001493006336 1396331525 /nfs/dbraw/zinc/33/15/25/1396331525.db2.gz GVBFEYIENCVXGA-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001493696631 1396342204 /nfs/dbraw/zinc/34/22/04/1396342204.db2.gz YEGYTSCKMKGKQI-QGZVFWFLSA-N 2 1 333.520 3.082 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1c(C)cccc1C ZINC001699033468 1406872095 /nfs/dbraw/zinc/87/20/95/1406872095.db2.gz AOBMMNADQXCCPE-UYAOXDASSA-N 2 1 345.531 3.020 20 0 EGADMP Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)c1 ZINC001690289368 1404450703 /nfs/dbraw/zinc/45/07/03/1404450703.db2.gz DEOVAJAVFNMJEL-WGSAOQKQSA-N 2 1 345.531 3.018 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001690391622 1404531103 /nfs/dbraw/zinc/53/11/03/1404531103.db2.gz FGSLTQDPSVTMPP-AZUAARDMSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](CC)c2ccccc2)C1 ZINC001690391622 1404531106 /nfs/dbraw/zinc/53/11/06/1404531106.db2.gz FGSLTQDPSVTMPP-AZUAARDMSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC001690391622 1404531109 /nfs/dbraw/zinc/53/11/09/1404531109.db2.gz FGSLTQDPSVTMPP-AZUAARDMSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001690752158 1404709111 /nfs/dbraw/zinc/70/91/11/1404709111.db2.gz ZNIOQCCLHCIMIA-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001690783210 1404730874 /nfs/dbraw/zinc/73/08/74/1404730874.db2.gz BIRYVPOEWWAHFR-WOJBJXKFSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001690814862 1404749851 /nfs/dbraw/zinc/74/98/51/1404749851.db2.gz MSLDTXAAKJZESP-MSOLQXFVSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@H](CCC[NH2+]C/C=C\c1ccccc1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001725402523 1426047091 /nfs/dbraw/zinc/04/70/91/1426047091.db2.gz UFUILNMMLVFCLQ-PASZSSHJSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)c1ccccc1F)[NH+]1CCCCCC1 ZINC001690981851 1404894269 /nfs/dbraw/zinc/89/42/69/1404894269.db2.gz HOULPMDTEKATIU-IRXDYDNUSA-N 2 1 349.494 3.199 20 0 EGADMP C[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1F)[NH+]1CCCCCC1 ZINC001690981851 1404894274 /nfs/dbraw/zinc/89/42/74/1404894274.db2.gz HOULPMDTEKATIU-IRXDYDNUSA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1ccccc1 ZINC001690982141 1404895807 /nfs/dbraw/zinc/89/58/07/1404895807.db2.gz QLAFIKLURRTFMF-MJGOQNOKSA-N 2 1 331.504 3.059 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)c1ccccc1 ZINC001690982141 1404895813 /nfs/dbraw/zinc/89/58/13/1404895813.db2.gz QLAFIKLURRTFMF-MJGOQNOKSA-N 2 1 331.504 3.059 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)c1ccccc1 ZINC001690982141 1404895819 /nfs/dbraw/zinc/89/58/19/1404895819.db2.gz QLAFIKLURRTFMF-MJGOQNOKSA-N 2 1 331.504 3.059 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1CCC(C)(C)CC1 ZINC001691038473 1404948379 /nfs/dbraw/zinc/94/83/79/1404948379.db2.gz IOUDEBLRTLKGSA-GOSISDBHSA-N 2 1 339.568 3.227 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CC1CCC(C)(C)CC1)C(=O)CCC[NH+](C)C ZINC001691055411 1404974999 /nfs/dbraw/zinc/97/49/99/1404974999.db2.gz MMCIUUPBOMBFHQ-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC(C)(C)C ZINC001691065850 1404992207 /nfs/dbraw/zinc/99/22/07/1404992207.db2.gz HBUMPOZTXVONNM-SFHVURJKSA-N 2 1 348.535 3.331 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCCC(C)(C)C ZINC001691065850 1404992211 /nfs/dbraw/zinc/99/22/11/1404992211.db2.gz HBUMPOZTXVONNM-SFHVURJKSA-N 2 1 348.535 3.331 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(C)c(C)c1 ZINC001691184077 1405122426 /nfs/dbraw/zinc/12/24/26/1405122426.db2.gz YYLVKTHHIJJAMO-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1ccc(C)c(C)c1 ZINC001691184077 1405122430 /nfs/dbraw/zinc/12/24/30/1405122430.db2.gz YYLVKTHHIJJAMO-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1ccc(C)c(C)c1 ZINC001691184077 1405122432 /nfs/dbraw/zinc/12/24/32/1405122432.db2.gz YYLVKTHHIJJAMO-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H](C)c1ccc(F)cc1 ZINC001691189192 1405127595 /nfs/dbraw/zinc/12/75/95/1405127595.db2.gz RTCNMKYBZFYWAR-MRXNPFEDSA-N 2 1 349.494 3.057 20 0 EGADMP C[NH+](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1)CC(C)(C)C ZINC001691831892 1405545671 /nfs/dbraw/zinc/54/56/71/1405545671.db2.gz IRWYSQFOWZAGRH-KDURUIRLSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1)CC(C)(C)C ZINC001691831892 1405545675 /nfs/dbraw/zinc/54/56/75/1405545675.db2.gz IRWYSQFOWZAGRH-KDURUIRLSA-N 2 1 349.563 3.220 20 0 EGADMP CCCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001732084864 1428343772 /nfs/dbraw/zinc/34/37/72/1428343772.db2.gz YLGRYCZYOTUEKX-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001732214351 1428462149 /nfs/dbraw/zinc/46/21/49/1428462149.db2.gz VGRDGNNOBBTIEM-LJQANCHMSA-N 2 1 347.547 3.266 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCC2CC2)C1 ZINC001732526023 1428645486 /nfs/dbraw/zinc/64/54/86/1428645486.db2.gz BCJZHCCREWYYPW-AEFFLSMTSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@H](C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1)NC(=O)CCC[NH+](C)C ZINC001699460907 1412813766 /nfs/dbraw/zinc/81/37/66/1412813766.db2.gz GIMJOHWOFXJFHH-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001699473874 1412861364 /nfs/dbraw/zinc/86/13/64/1412861364.db2.gz DRKBSRHPUHJNRV-RBUKOAKNSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001699489651 1412887001 /nfs/dbraw/zinc/88/70/01/1412887001.db2.gz ZZLYGEGFAQUFRL-RBUKOAKNSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCCC2)CC1 ZINC001699655281 1413038100 /nfs/dbraw/zinc/03/81/00/1413038100.db2.gz WONXJKKKFJBZIP-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001699694414 1413102855 /nfs/dbraw/zinc/10/28/55/1413102855.db2.gz DQPZXLMCZBPVGW-HXUWFJFHSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC001732577406 1428779885 /nfs/dbraw/zinc/77/98/85/1428779885.db2.gz YYNLQDPCPGRAGT-XLIONFOSSA-N 2 1 345.531 3.355 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001732577406 1428779886 /nfs/dbraw/zinc/77/98/86/1428779886.db2.gz YYNLQDPCPGRAGT-XLIONFOSSA-N 2 1 345.531 3.355 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001732577406 1428779887 /nfs/dbraw/zinc/77/98/87/1428779887.db2.gz YYNLQDPCPGRAGT-XLIONFOSSA-N 2 1 345.531 3.355 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cccc(F)c2)[C@H]1C ZINC001700887654 1414546992 /nfs/dbraw/zinc/54/69/92/1414546992.db2.gz JZHFUWJBKBXHPH-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(F)c2)[C@H]1C ZINC001700887654 1414546996 /nfs/dbraw/zinc/54/69/96/1414546996.db2.gz JZHFUWJBKBXHPH-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(F)c2)[C@H]1C ZINC001700887654 1414547000 /nfs/dbraw/zinc/54/70/00/1414547000.db2.gz JZHFUWJBKBXHPH-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001732597423 1428836761 /nfs/dbraw/zinc/83/67/61/1428836761.db2.gz LGBGPEYBHXSXHW-UHFFFAOYSA-N 2 1 345.531 3.070 20 0 EGADMP C[C@H](C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001732968185 1429092869 /nfs/dbraw/zinc/09/28/69/1429092869.db2.gz PXRQTFPDBPDZFE-GPMSIDNRSA-N 2 1 345.531 3.234 20 0 EGADMP C[C@@H](C[NH2+][C@H]1CCCc2ccccc21)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001733013300 1429132754 /nfs/dbraw/zinc/13/27/54/1429132754.db2.gz BBXIPISPAIUWSG-LPHOPBHVSA-N 2 1 345.531 3.136 20 0 EGADMP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@@H](CC)c1ccc(F)cc1 ZINC001707054541 1417168608 /nfs/dbraw/zinc/16/86/08/1417168608.db2.gz QQHHOZVYRDHSDS-MOPGFXCFSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@@H](CC)c1ccc(F)cc1 ZINC001707054541 1417168610 /nfs/dbraw/zinc/16/86/10/1417168610.db2.gz QQHHOZVYRDHSDS-MOPGFXCFSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](CC)c1ccc(F)cc1 ZINC001707054541 1417168613 /nfs/dbraw/zinc/16/86/13/1417168613.db2.gz QQHHOZVYRDHSDS-MOPGFXCFSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](CC)c1ccc(F)cc1 ZINC001707054541 1417168615 /nfs/dbraw/zinc/16/86/15/1417168615.db2.gz QQHHOZVYRDHSDS-MOPGFXCFSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001707447357 1417351100 /nfs/dbraw/zinc/35/11/00/1417351100.db2.gz QSVPJBZKRCSYGD-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP C[N@@H+](CCCC1CCC1)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001713134729 1417713484 /nfs/dbraw/zinc/71/34/84/1417713484.db2.gz SVCAHDGWVHXBQF-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H](C[N@@H+](C)CC1CCCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001733058283 1429203728 /nfs/dbraw/zinc/20/37/28/1429203728.db2.gz ITEYSDMNLUTYIS-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C2)c1 ZINC001713277524 1417899675 /nfs/dbraw/zinc/89/96/75/1417899675.db2.gz JOFKEFAWZKIOGB-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC1CCCCCC1 ZINC001713459694 1418114695 /nfs/dbraw/zinc/11/46/95/1418114695.db2.gz KXTNFNDXQOKYQS-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)CC1CCCCCC1 ZINC001713459694 1418114699 /nfs/dbraw/zinc/11/46/99/1418114699.db2.gz KXTNFNDXQOKYQS-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CC1CCCCCC1 ZINC001713459694 1418114703 /nfs/dbraw/zinc/11/47/03/1418114703.db2.gz KXTNFNDXQOKYQS-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](C(=O)NCC[N@@H+](CC)[C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001713496255 1418204919 /nfs/dbraw/zinc/20/49/19/1418204919.db2.gz OGRHNVDSDCXWJW-PBHICJAKSA-N 2 1 339.911 3.179 20 0 EGADMP CCCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@H+](C(C)C)C1 ZINC001713719524 1418489876 /nfs/dbraw/zinc/48/98/76/1418489876.db2.gz BYUDGTRNJKHBEU-FQEVSTJZSA-N 2 1 345.531 3.126 20 0 EGADMP CC(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001713753777 1418556189 /nfs/dbraw/zinc/55/61/89/1418556189.db2.gz SSPLFBIGBJGMIP-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[NH+](C)C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001713753777 1418556191 /nfs/dbraw/zinc/55/61/91/1418556191.db2.gz SSPLFBIGBJGMIP-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[NH+](C)C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001713753777 1418556194 /nfs/dbraw/zinc/55/61/94/1418556194.db2.gz SSPLFBIGBJGMIP-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001713853771 1418650426 /nfs/dbraw/zinc/65/04/26/1418650426.db2.gz SICRDPXSPPNAIC-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001714048444 1418845426 /nfs/dbraw/zinc/84/54/26/1418845426.db2.gz BNJANSORAJARAT-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001714048444 1418845427 /nfs/dbraw/zinc/84/54/27/1418845427.db2.gz BNJANSORAJARAT-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001714048444 1418845430 /nfs/dbraw/zinc/84/54/30/1418845430.db2.gz BNJANSORAJARAT-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+][C@H](CC)c1ccccc1 ZINC001714140114 1418942605 /nfs/dbraw/zinc/94/26/05/1418942605.db2.gz XFANZKJSOWAZST-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)[C@@H](CC)C1 ZINC001733203844 1429309240 /nfs/dbraw/zinc/30/92/40/1429309240.db2.gz YNALQMUHIWAACO-PMACEKPBSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+]1CC2(C1)CCN(C(=O)[C@H](c1ccccc1)[N@@H+](C)CC)CC2 ZINC001714522820 1419248968 /nfs/dbraw/zinc/24/89/68/1419248968.db2.gz CNPSJTRNTRCCRF-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001714564873 1419292884 /nfs/dbraw/zinc/29/28/84/1419292884.db2.gz MZEAWQARHVOCOM-RTBURBONSA-N 2 1 345.531 3.369 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001714564872 1419293156 /nfs/dbraw/zinc/29/31/56/1419293156.db2.gz MZEAWQARHVOCOM-RBUKOAKNSA-N 2 1 345.531 3.369 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)CC1CCCCC1 ZINC001714594929 1419345518 /nfs/dbraw/zinc/34/55/18/1419345518.db2.gz LQZTYRLOADCPRQ-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)CC1CCCCC1 ZINC001714594929 1419345521 /nfs/dbraw/zinc/34/55/21/1419345521.db2.gz LQZTYRLOADCPRQ-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)CC1CCCCC1 ZINC001714594929 1419345526 /nfs/dbraw/zinc/34/55/26/1419345526.db2.gz LQZTYRLOADCPRQ-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001714616363 1419379049 /nfs/dbraw/zinc/37/90/49/1419379049.db2.gz HRTNPQPXANGNTM-ICSRJNTNSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C[NH2+]CC1CCCCC1 ZINC001715233110 1419964991 /nfs/dbraw/zinc/96/49/91/1419964991.db2.gz HXSNCMVRDWSELA-XLIONFOSSA-N 2 1 349.563 3.316 20 0 EGADMP Cc1ccccc1C[NH2+][C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C(C)C ZINC001715502562 1420185474 /nfs/dbraw/zinc/18/54/74/1420185474.db2.gz QDLFPMNOADVVPC-IBGZPJMESA-N 2 1 347.547 3.203 20 0 EGADMP CCC[N@H+](CC1CC1)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001716714838 1420870292 /nfs/dbraw/zinc/87/02/92/1420870292.db2.gz CVKBYDYGBAICHG-UHFFFAOYSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@@H+](CC1CC1)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001716714838 1420870294 /nfs/dbraw/zinc/87/02/94/1420870294.db2.gz CVKBYDYGBAICHG-UHFFFAOYSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001716900844 1421031612 /nfs/dbraw/zinc/03/16/12/1421031612.db2.gz WAMJBBFYCREZKX-HXUWFJFHSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@](C)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001716900844 1421031615 /nfs/dbraw/zinc/03/16/15/1421031615.db2.gz WAMJBBFYCREZKX-HXUWFJFHSA-N 2 1 348.535 3.271 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001717010824 1421076732 /nfs/dbraw/zinc/07/67/32/1421076732.db2.gz QXOVTTHITDJTOY-CEXWTWQISA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001717010824 1421076733 /nfs/dbraw/zinc/07/67/33/1421076733.db2.gz QXOVTTHITDJTOY-CEXWTWQISA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001717010824 1421076736 /nfs/dbraw/zinc/07/67/36/1421076736.db2.gz QXOVTTHITDJTOY-CEXWTWQISA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCC3CCCCCC3)C[C@@H]2C1 ZINC001717013325 1421078664 /nfs/dbraw/zinc/07/86/64/1421078664.db2.gz DMAKSWLZTLVOLW-BGYRXZFFSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCC3CCCCCC3)C[C@@H]2C1 ZINC001717013325 1421078666 /nfs/dbraw/zinc/07/86/66/1421078666.db2.gz DMAKSWLZTLVOLW-BGYRXZFFSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CCC3CCCCCC3)C[C@@H]2C1 ZINC001717013325 1421078669 /nfs/dbraw/zinc/07/86/69/1421078669.db2.gz DMAKSWLZTLVOLW-BGYRXZFFSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001717125390 1421127680 /nfs/dbraw/zinc/12/76/80/1421127680.db2.gz KSZULPQEODCHLS-WDSOQIARSA-N 2 1 348.535 3.138 20 0 EGADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001717485316 1421421433 /nfs/dbraw/zinc/42/14/33/1421421433.db2.gz JVRCIPDDRDZSGZ-SJORKVTESA-N 2 1 345.531 3.015 20 0 EGADMP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001717541460 1421482326 /nfs/dbraw/zinc/48/23/26/1421482326.db2.gz ZIVKJVYMHUFNIB-SFHVURJKSA-N 2 1 334.508 3.133 20 0 EGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001717541460 1421482327 /nfs/dbraw/zinc/48/23/27/1421482327.db2.gz ZIVKJVYMHUFNIB-SFHVURJKSA-N 2 1 334.508 3.133 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC001717559818 1421495756 /nfs/dbraw/zinc/49/57/56/1421495756.db2.gz URZUQZCLRTYFOY-MRXNPFEDSA-N 2 1 346.519 3.023 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C(C)C)C1 ZINC001717561945 1421497550 /nfs/dbraw/zinc/49/75/50/1421497550.db2.gz VWGKTEFYKHVUBD-KRWDZBQOSA-N 2 1 345.531 3.088 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cccc(CC)c2)C[C@H]1C ZINC001717826688 1421641027 /nfs/dbraw/zinc/64/10/27/1421641027.db2.gz DOECLAGMIWHMSP-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(F)cc2)[C@@H]1C ZINC001717860910 1421673736 /nfs/dbraw/zinc/67/37/36/1421673736.db2.gz RFSRLIABEGBGGL-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)[C@@H]1C ZINC001717860910 1421673737 /nfs/dbraw/zinc/67/37/37/1421673737.db2.gz RFSRLIABEGBGGL-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)[C@@H]1C ZINC001717860910 1421673739 /nfs/dbraw/zinc/67/37/39/1421673739.db2.gz RFSRLIABEGBGGL-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC/C=C\c2ccccc2)C1 ZINC001733412708 1429614809 /nfs/dbraw/zinc/61/48/09/1429614809.db2.gz ONYVTAHKYPKJAE-PRUHCIRGSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@H+](CC/C=C\c2ccccc2)C1 ZINC001733412708 1429614810 /nfs/dbraw/zinc/61/48/10/1429614810.db2.gz ONYVTAHKYPKJAE-PRUHCIRGSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC001733412708 1429614812 /nfs/dbraw/zinc/61/48/12/1429614812.db2.gz ONYVTAHKYPKJAE-PRUHCIRGSA-N 2 1 343.515 3.012 20 0 EGADMP Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)CCC[NH+]2CCCCC2)cc1 ZINC001722916644 1424254307 /nfs/dbraw/zinc/25/43/07/1424254307.db2.gz NQSXURFVAMTZBW-IBGZPJMESA-N 2 1 345.531 3.198 20 0 EGADMP CC(C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC001723633836 1424500792 /nfs/dbraw/zinc/50/07/92/1424500792.db2.gz RTHOJTWPJQXYBY-MOPGFXCFSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001723633836 1424500795 /nfs/dbraw/zinc/50/07/95/1424500795.db2.gz RTHOJTWPJQXYBY-MOPGFXCFSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001723633836 1424500798 /nfs/dbraw/zinc/50/07/98/1424500798.db2.gz RTHOJTWPJQXYBY-MOPGFXCFSA-N 2 1 335.536 3.115 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001724172520 1424706343 /nfs/dbraw/zinc/70/63/43/1424706343.db2.gz BPYBLDQPONKZJM-QUCCMNQESA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)(C)CCC[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001724191403 1424724458 /nfs/dbraw/zinc/72/44/58/1424724458.db2.gz VYRHWIWBEFHNQE-HXUWFJFHSA-N 2 1 337.552 3.269 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC001725000903 1425409453 /nfs/dbraw/zinc/40/94/53/1425409453.db2.gz UZIUEFJBZSAECX-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC001725000903 1425409457 /nfs/dbraw/zinc/40/94/57/1425409457.db2.gz UZIUEFJBZSAECX-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC001725000903 1425409460 /nfs/dbraw/zinc/40/94/60/1425409460.db2.gz UZIUEFJBZSAECX-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC001725141245 1425620227 /nfs/dbraw/zinc/62/02/27/1425620227.db2.gz DAACGZASPYWDQA-KRWDZBQOSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)CCCC(C)(C)C ZINC001725193684 1425742950 /nfs/dbraw/zinc/74/29/50/1425742950.db2.gz HCHZKMJZMYJSIO-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCC2CCCC2)CCCCC1 ZINC001725217432 1425784056 /nfs/dbraw/zinc/78/40/56/1425784056.db2.gz KVJIDAHTAOMTFZ-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccccc2CC)C[C@@H]1C ZINC001725582107 1426237678 /nfs/dbraw/zinc/23/76/78/1426237678.db2.gz CLODJJJHBYOCSS-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1C/C=C\c1ccccc1 ZINC001725630414 1426298092 /nfs/dbraw/zinc/29/80/92/1426298092.db2.gz QZGOLVLCVRTKGN-MMKKUBAISA-N 2 1 343.515 3.011 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001731467106 1427445275 /nfs/dbraw/zinc/44/52/75/1427445275.db2.gz ZUHWUZVRUFARIX-IHWFROFDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001731467106 1427445276 /nfs/dbraw/zinc/44/52/76/1427445276.db2.gz ZUHWUZVRUFARIX-IHWFROFDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1 ZINC001731467106 1427445277 /nfs/dbraw/zinc/44/52/77/1427445277.db2.gz ZUHWUZVRUFARIX-IHWFROFDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001731790581 1427931250 /nfs/dbraw/zinc/93/12/50/1427931250.db2.gz KSRUDGPIRYWLBV-QGZVFWFLSA-N 2 1 347.547 3.435 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001731790581 1427931254 /nfs/dbraw/zinc/93/12/54/1427931254.db2.gz KSRUDGPIRYWLBV-QGZVFWFLSA-N 2 1 347.547 3.435 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](C/C=C\c2ccccc2)CC1 ZINC001733770576 1430001433 /nfs/dbraw/zinc/00/14/33/1430001433.db2.gz UDYMMYKUHBCQOZ-RVPHRTOXSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](C/C=C\c2ccccc2)CC1 ZINC001733770576 1430001438 /nfs/dbraw/zinc/00/14/38/1430001438.db2.gz UDYMMYKUHBCQOZ-RVPHRTOXSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2)CC1 ZINC001733770576 1430001445 /nfs/dbraw/zinc/00/14/45/1430001445.db2.gz UDYMMYKUHBCQOZ-RVPHRTOXSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)[C@H](CC)c1ccccc1 ZINC001733938714 1437754213 /nfs/dbraw/zinc/75/42/13/1437754213.db2.gz RLULYEMAJQTIJE-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)[C@H](CC)c1ccccc1 ZINC001733938714 1437754214 /nfs/dbraw/zinc/75/42/14/1437754214.db2.gz RLULYEMAJQTIJE-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@H](CC)c1ccccc1 ZINC001733938714 1437754215 /nfs/dbraw/zinc/75/42/15/1437754215.db2.gz RLULYEMAJQTIJE-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001733944882 1437760275 /nfs/dbraw/zinc/76/02/75/1437760275.db2.gz XNCXILLNMIIADQ-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP CC(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001734105141 1437891165 /nfs/dbraw/zinc/89/11/65/1437891165.db2.gz BJDJJMRPYUELEL-FQEVSTJZSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001734105141 1437891167 /nfs/dbraw/zinc/89/11/67/1437891167.db2.gz BJDJJMRPYUELEL-FQEVSTJZSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)C[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001734105141 1437891169 /nfs/dbraw/zinc/89/11/69/1437891169.db2.gz BJDJJMRPYUELEL-FQEVSTJZSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)C[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001734105141 1437891170 /nfs/dbraw/zinc/89/11/70/1437891170.db2.gz BJDJJMRPYUELEL-FQEVSTJZSA-N 2 1 345.531 3.135 20 0 EGADMP CCc1ccc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C(C)C)cc1 ZINC001751974274 1440130034 /nfs/dbraw/zinc/13/00/34/1440130034.db2.gz DLDIPDFZDAZSTI-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001751974274 1440130035 /nfs/dbraw/zinc/13/00/35/1440130035.db2.gz DLDIPDFZDAZSTI-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001751974274 1440130037 /nfs/dbraw/zinc/13/00/37/1440130037.db2.gz DLDIPDFZDAZSTI-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP C[N@@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CCCC1CCCC1 ZINC001751997497 1440131819 /nfs/dbraw/zinc/13/18/19/1440131819.db2.gz JNKDEZSBWIXNOE-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)CCCC1CCCC1 ZINC001751997497 1440131820 /nfs/dbraw/zinc/13/18/20/1440131820.db2.gz JNKDEZSBWIXNOE-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)CCCC1CCCC1 ZINC001751997497 1440131821 /nfs/dbraw/zinc/13/18/21/1440131821.db2.gz JNKDEZSBWIXNOE-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001752121972 1440142617 /nfs/dbraw/zinc/14/26/17/1440142617.db2.gz PGEQQPUWLZHQFI-QGZVFWFLSA-N 2 1 349.494 3.201 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCC1CCCCCC1)C1CC1 ZINC001752470691 1440184441 /nfs/dbraw/zinc/18/44/41/1440184441.db2.gz IAIDDHGJNUIGGO-WOJBJXKFSA-N 2 1 349.563 3.316 20 0 EGADMP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001752654856 1440198281 /nfs/dbraw/zinc/19/82/81/1440198281.db2.gz DYDJXLUMLRSFOF-YWTNHNAXSA-N 2 1 335.536 3.066 20 0 EGADMP C[NH+](C)C1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC(C)(C)C2)CCC1 ZINC001752695871 1440200917 /nfs/dbraw/zinc/20/09/17/1440200917.db2.gz HQYLDEVKSPTZKD-AYHJJNSGSA-N 2 1 347.547 3.019 20 0 EGADMP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1)[NH+](CC)CC ZINC001752698418 1440201454 /nfs/dbraw/zinc/20/14/54/1440201454.db2.gz LUEQNXDFELTSFI-NXEWRWPSSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CCC2)C1)[NH+]1CCCCC1 ZINC001752790123 1440213541 /nfs/dbraw/zinc/21/35/41/1440213541.db2.gz SFKOORVXXFJJHK-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001752804848 1440215545 /nfs/dbraw/zinc/21/55/45/1440215545.db2.gz UAQICZWVGNKOCM-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752835396 1440227421 /nfs/dbraw/zinc/22/74/21/1440227421.db2.gz FNPZKDXJDBHHNE-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001752835396 1440227422 /nfs/dbraw/zinc/22/74/22/1440227422.db2.gz FNPZKDXJDBHHNE-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001752835396 1440227423 /nfs/dbraw/zinc/22/74/23/1440227423.db2.gz FNPZKDXJDBHHNE-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001752836915 1440228139 /nfs/dbraw/zinc/22/81/39/1440228139.db2.gz PYXOMBOHDCLGLK-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001752841457 1440230673 /nfs/dbraw/zinc/23/06/73/1440230673.db2.gz QUMARCUQSRWMMR-ROUUACIJSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001752841457 1440230674 /nfs/dbraw/zinc/23/06/74/1440230674.db2.gz QUMARCUQSRWMMR-ROUUACIJSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001752841457 1440230675 /nfs/dbraw/zinc/23/06/75/1440230675.db2.gz QUMARCUQSRWMMR-ROUUACIJSA-N 2 1 339.568 3.371 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1)C1CCC1 ZINC001752972161 1440255307 /nfs/dbraw/zinc/25/53/07/1440255307.db2.gz UZYWGCCBVRECLS-ROUUACIJSA-N 2 1 335.536 3.068 20 0 EGADMP CC/C=C/CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001752991987 1440259646 /nfs/dbraw/zinc/25/96/46/1440259646.db2.gz BXLJTNUDULHTHB-LXORQPIJSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001752991987 1440259647 /nfs/dbraw/zinc/25/96/47/1440259647.db2.gz BXLJTNUDULHTHB-LXORQPIJSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001752991987 1440259648 /nfs/dbraw/zinc/25/96/48/1440259648.db2.gz BXLJTNUDULHTHB-LXORQPIJSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001752996360 1440261962 /nfs/dbraw/zinc/26/19/62/1440261962.db2.gz LMWLFZRRIKYCAU-FQEVSTJZSA-N 2 1 345.531 3.127 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001752996594 1440262317 /nfs/dbraw/zinc/26/23/17/1440262317.db2.gz GWEZHDPGOVLUSA-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001753000622 1440264321 /nfs/dbraw/zinc/26/43/21/1440264321.db2.gz SULJRXTYEVFNNR-HKUYNNGSSA-N 2 1 331.504 3.011 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001753000622 1440264322 /nfs/dbraw/zinc/26/43/22/1440264322.db2.gz SULJRXTYEVFNNR-HKUYNNGSSA-N 2 1 331.504 3.011 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001753000622 1440264323 /nfs/dbraw/zinc/26/43/23/1440264323.db2.gz SULJRXTYEVFNNR-HKUYNNGSSA-N 2 1 331.504 3.011 20 0 EGADMP Cc1ccccc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001753008976 1440266377 /nfs/dbraw/zinc/26/63/77/1440266377.db2.gz XAFNFHARJJBJNG-QUCCMNQESA-N 2 1 345.531 3.100 20 0 EGADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC1CCCCCC1 ZINC001753013002 1440267577 /nfs/dbraw/zinc/26/75/77/1440267577.db2.gz UQEIAVRLXBOOER-AOIWGVFYSA-N 2 1 337.552 3.172 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001753033123 1440273699 /nfs/dbraw/zinc/27/36/99/1440273699.db2.gz FISMVQUJZAOFHC-PXPVJAHISA-N 2 1 335.536 3.045 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)[C@@H](C)c1ccc(F)cc1 ZINC001753095037 1440301790 /nfs/dbraw/zinc/30/17/90/1440301790.db2.gz NCBRJRAMQHSRAO-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)[C@@H](C)c1ccc(F)cc1 ZINC001753095037 1440301791 /nfs/dbraw/zinc/30/17/91/1440301791.db2.gz NCBRJRAMQHSRAO-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)[C@@H](C)c1ccc(F)cc1 ZINC001753095037 1440301792 /nfs/dbraw/zinc/30/17/92/1440301792.db2.gz NCBRJRAMQHSRAO-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+]2CCC[C@@H]2CNC(=O)C[N@H+](C)C(C)C)c1 ZINC001753118417 1440312623 /nfs/dbraw/zinc/31/26/23/1440312623.db2.gz HUOXKKIXWVOIOA-RBUKOAKNSA-N 2 1 345.531 3.285 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+]2CCC[C@@H]2CNC(=O)C[NH+](C)C(C)C)c1 ZINC001753118417 1440312624 /nfs/dbraw/zinc/31/26/24/1440312624.db2.gz HUOXKKIXWVOIOA-RBUKOAKNSA-N 2 1 345.531 3.285 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@@H+]2CCC[C@@H]2CNC(=O)C[NH+](C)C(C)C)c1 ZINC001753118417 1440312625 /nfs/dbraw/zinc/31/26/25/1440312625.db2.gz HUOXKKIXWVOIOA-RBUKOAKNSA-N 2 1 345.531 3.285 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1ccc(C)cc1 ZINC001753143143 1440322619 /nfs/dbraw/zinc/32/26/19/1440322619.db2.gz KWMQDHDQVKTOGP-HXUWFJFHSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)Cc1ccc(C)cc1 ZINC001753143143 1440322620 /nfs/dbraw/zinc/32/26/20/1440322620.db2.gz KWMQDHDQVKTOGP-HXUWFJFHSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)Cc1ccc(C)cc1 ZINC001753143143 1440322621 /nfs/dbraw/zinc/32/26/21/1440322621.db2.gz KWMQDHDQVKTOGP-HXUWFJFHSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC1CCCCCC1 ZINC001753145511 1440324102 /nfs/dbraw/zinc/32/41/02/1440324102.db2.gz KIRSFXFXVSAYRQ-UHFFFAOYSA-N 2 1 349.563 3.413 20 0 EGADMP CCC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)[C@H](C)c1ccccc1C ZINC001753147361 1440325345 /nfs/dbraw/zinc/32/53/45/1440325345.db2.gz ANFIXLQAKMYRQQ-PKOBYXMFSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[C@H](C)c1ccccc1C ZINC001753147361 1440325346 /nfs/dbraw/zinc/32/53/46/1440325346.db2.gz ANFIXLQAKMYRQQ-PKOBYXMFSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[C@H](C)c1ccccc1C ZINC001753147361 1440325347 /nfs/dbraw/zinc/32/53/47/1440325347.db2.gz ANFIXLQAKMYRQQ-PKOBYXMFSA-N 2 1 345.531 3.226 20 0 EGADMP CN(CC[NH2+]CC1=CCCCC1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001753189961 1440337554 /nfs/dbraw/zinc/33/75/54/1440337554.db2.gz UFXYUYKRONMWQH-LJQANCHMSA-N 2 1 347.547 3.189 20 0 EGADMP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001753197236 1440338093 /nfs/dbraw/zinc/33/80/93/1440338093.db2.gz UYOKEJYSLVSZLI-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001753276855 1440346465 /nfs/dbraw/zinc/34/64/65/1440346465.db2.gz AZRBZNNUYDULEK-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001753315961 1440359539 /nfs/dbraw/zinc/35/95/39/1440359539.db2.gz JBXLMMQQRGBMOB-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001753315961 1440359540 /nfs/dbraw/zinc/35/95/40/1440359540.db2.gz JBXLMMQQRGBMOB-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001753315961 1440359541 /nfs/dbraw/zinc/35/95/41/1440359541.db2.gz JBXLMMQQRGBMOB-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC001753327268 1440367302 /nfs/dbraw/zinc/36/73/02/1440367302.db2.gz JPVIARDLLCZLDC-ACBHZAAOSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001753350243 1440377466 /nfs/dbraw/zinc/37/74/66/1440377466.db2.gz FRQKUCUMSPAQIZ-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001753350243 1440377467 /nfs/dbraw/zinc/37/74/67/1440377467.db2.gz FRQKUCUMSPAQIZ-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001753350243 1440377468 /nfs/dbraw/zinc/37/74/68/1440377468.db2.gz FRQKUCUMSPAQIZ-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001753350453 1440377711 /nfs/dbraw/zinc/37/77/11/1440377711.db2.gz JQWHLPCVJMBCAK-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001753360012 1440382348 /nfs/dbraw/zinc/38/23/48/1440382348.db2.gz OENFLHPWZDFLIC-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCC(=O)N1CCC(C[N@@H+](C)CC2CC2)CC1)C1CCCCC1 ZINC001753364473 1440384321 /nfs/dbraw/zinc/38/43/21/1440384321.db2.gz DJJLNJRDMLDQMV-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CC1)CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001753364473 1440384322 /nfs/dbraw/zinc/38/43/22/1440384322.db2.gz DJJLNJRDMLDQMV-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CC1)CC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001753364473 1440384323 /nfs/dbraw/zinc/38/43/23/1440384323.db2.gz DJJLNJRDMLDQMV-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001753448204 1440405055 /nfs/dbraw/zinc/40/50/55/1440405055.db2.gz PBDRLVIQDDQLCV-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001753448204 1440405056 /nfs/dbraw/zinc/40/50/56/1440405056.db2.gz PBDRLVIQDDQLCV-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001753448204 1440405057 /nfs/dbraw/zinc/40/50/57/1440405057.db2.gz PBDRLVIQDDQLCV-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP CN(C(=O)CCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001753449852 1440405377 /nfs/dbraw/zinc/40/53/77/1440405377.db2.gz NFZYXSRDWGIFAI-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001753458757 1440409358 /nfs/dbraw/zinc/40/93/58/1440409358.db2.gz KBEIZIUKLLVIML-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H](N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001753458757 1440409359 /nfs/dbraw/zinc/40/93/59/1440409359.db2.gz KBEIZIUKLLVIML-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H](N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001753458757 1440409360 /nfs/dbraw/zinc/40/93/60/1440409360.db2.gz KBEIZIUKLLVIML-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001753461466 1440410944 /nfs/dbraw/zinc/41/09/44/1440410944.db2.gz JMXKDWTUTXQGTD-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001753461466 1440410945 /nfs/dbraw/zinc/41/09/45/1440410945.db2.gz JMXKDWTUTXQGTD-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CCN(C(=O)CCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001753462720 1440411761 /nfs/dbraw/zinc/41/17/61/1440411761.db2.gz ZSZZLILNQJLAGX-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@](C)(C[NH2+]CCC2CCCCC2)C2CC2)C1 ZINC001753527997 1440430155 /nfs/dbraw/zinc/43/01/55/1440430155.db2.gz KKXYYWWSFFLOJO-WIYYLYMNSA-N 2 1 349.563 3.173 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001753585198 1440441167 /nfs/dbraw/zinc/44/11/67/1440441167.db2.gz XFSGOJYPPNPCAO-RTLRUIJZSA-N 2 1 335.536 3.092 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001753602005 1440446567 /nfs/dbraw/zinc/44/65/67/1440446567.db2.gz YDASFLYFVVBJGP-KAGICYHLSA-N 2 1 335.536 3.188 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C[NH2+]CC1CCCC1 ZINC001753641538 1440454653 /nfs/dbraw/zinc/45/46/53/1440454653.db2.gz XJNZTGYZKIUKTK-FXAWDEMLSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)cc(C)c1 ZINC001753645037 1440455535 /nfs/dbraw/zinc/45/55/35/1440455535.db2.gz QSQRUHBLPIMSTN-ICSRJNTNSA-N 2 1 345.531 3.020 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001753664705 1440459928 /nfs/dbraw/zinc/45/99/28/1440459928.db2.gz ZWDNEQRBXRHPBZ-GOSISDBHSA-N 2 1 337.552 3.314 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCC3CCCCC3)CCCC2)C1 ZINC001753670806 1440461946 /nfs/dbraw/zinc/46/19/46/1440461946.db2.gz FNMVQRYZQOVGNJ-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CCC)CC2 ZINC001753673210 1440462781 /nfs/dbraw/zinc/46/27/81/1440462781.db2.gz BEGDBOFBNBADJU-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001753675205 1440463132 /nfs/dbraw/zinc/46/31/32/1440463132.db2.gz VVIMBRNYVMPZHS-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001753701839 1440468603 /nfs/dbraw/zinc/46/86/03/1440468603.db2.gz SGJUYEKMVGKJIF-HZPDHXFCSA-N 2 1 325.541 3.122 20 0 EGADMP CC(C)C[C@H](C[NH2+]Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001753734687 1440477265 /nfs/dbraw/zinc/47/72/65/1440477265.db2.gz GWEHWENZJSFPFJ-WOJBJXKFSA-N 2 1 345.531 3.180 20 0 EGADMP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC(CC[N@H+](C)CC3CC3)CC2)C1 ZINC001753824300 1440497720 /nfs/dbraw/zinc/49/77/20/1440497720.db2.gz YROFHFJEKQDIIN-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001753831121 1440499579 /nfs/dbraw/zinc/49/95/79/1440499579.db2.gz NFTBPNWRLKCZMR-RTBURBONSA-N 2 1 335.536 3.090 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001753866334 1440514461 /nfs/dbraw/zinc/51/44/61/1440514461.db2.gz DVMKYZABWQFNGT-HXUWFJFHSA-N 2 1 345.531 3.260 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2[C@H](CC[NH+]2CC2CCCCCC2)C1 ZINC001753878094 1440519896 /nfs/dbraw/zinc/51/98/96/1440519896.db2.gz NNSTYNVILJLMHR-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC2CCCCCC2)C1 ZINC001753878094 1440519897 /nfs/dbraw/zinc/51/98/97/1440519897.db2.gz NNSTYNVILJLMHR-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC2CCCCCC2)C1 ZINC001753878094 1440519898 /nfs/dbraw/zinc/51/98/98/1440519898.db2.gz NNSTYNVILJLMHR-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001753903429 1440523848 /nfs/dbraw/zinc/52/38/48/1440523848.db2.gz XIBRCJVPANXDLR-MOPGFXCFSA-N 2 1 337.552 3.172 20 0 EGADMP CCN(CC[NH2+]CCC1=CCCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001754072347 1440538340 /nfs/dbraw/zinc/53/83/40/1440538340.db2.gz VVUPOWLWLFBSNX-HKUYNNGSSA-N 2 1 335.536 3.045 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)C[NH2+]CC1CCCCC1 ZINC001754226034 1440553291 /nfs/dbraw/zinc/55/32/91/1440553291.db2.gz XCWYYCARNGGNTO-CVEARBPZSA-N 2 1 334.508 3.071 20 0 EGADMP C[C@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001754228639 1440553660 /nfs/dbraw/zinc/55/36/60/1440553660.db2.gz MGYWLHSPUPCTLD-YLJYHZDGSA-N 2 1 347.547 3.378 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC001754243778 1440556461 /nfs/dbraw/zinc/55/64/61/1440556461.db2.gz VOWJHKANDYBPGA-IAGOWNOFSA-N 2 1 342.487 3.170 20 0 EGADMP C[C@H](C[N@@H+](C)CC1=CCCCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754312027 1440573634 /nfs/dbraw/zinc/57/36/34/1440573634.db2.gz VMVCPDWNYLRMHV-QGZVFWFLSA-N 2 1 335.536 3.188 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001754318681 1440576963 /nfs/dbraw/zinc/57/69/63/1440576963.db2.gz ITHNSAICTCFOQY-ZFWWWQNUSA-N 2 1 348.878 3.043 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001754318681 1440576964 /nfs/dbraw/zinc/57/69/64/1440576964.db2.gz ITHNSAICTCFOQY-ZFWWWQNUSA-N 2 1 348.878 3.043 20 0 EGADMP C[C@@H](C[N@@H+](C)Cc1ccc(C2CCCC2)cc1)NC(=O)CC[NH+](C)C ZINC001754322357 1440578761 /nfs/dbraw/zinc/57/87/61/1440578761.db2.gz DMJCVFNXNKMGFS-KRWDZBQOSA-N 2 1 345.531 3.232 20 0 EGADMP C[C@H](C[N@@H+](C)[C@@H](C)c1ccccc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001754336672 1440586753 /nfs/dbraw/zinc/58/67/53/1440586753.db2.gz OIPWMERDJYWBEH-SJORKVTESA-N 2 1 349.494 3.199 20 0 EGADMP Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)CC[NH+]2CCCCC2)cc1C ZINC001754337125 1440586989 /nfs/dbraw/zinc/58/69/89/1440586989.db2.gz RRFHSEKLHRNWCT-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP Cc1ccc(C)c(C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001754337536 1440587247 /nfs/dbraw/zinc/58/72/47/1440587247.db2.gz VYUGONBCXATWHH-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001754347322 1440589991 /nfs/dbraw/zinc/58/99/91/1440589991.db2.gz XMIPLIPNANKPKG-WMZOPIPTSA-N 2 1 337.552 3.312 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)[C@@H](CC)C1 ZINC001754466133 1440604318 /nfs/dbraw/zinc/60/43/18/1440604318.db2.gz AZWAMCDAHQADBP-VQTJNVASSA-N 2 1 349.563 3.435 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CC[NH+]1CCC1=CCCCC1)CC(C)(C)C ZINC001754493923 1440611341 /nfs/dbraw/zinc/61/13/41/1440611341.db2.gz IAOAPWVWFQIZCL-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CC[N@@H+]1CCC1=CCCCC1)CC(C)(C)C ZINC001754493923 1440611342 /nfs/dbraw/zinc/61/13/42/1440611342.db2.gz IAOAPWVWFQIZCL-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CC[N@H+]1CCC1=CCCCC1)CC(C)(C)C ZINC001754493923 1440611343 /nfs/dbraw/zinc/61/13/43/1440611343.db2.gz IAOAPWVWFQIZCL-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@@H](C)c1cc(C)ccc1C ZINC001754499775 1440613774 /nfs/dbraw/zinc/61/37/74/1440613774.db2.gz DPUUIGJMBQGSED-RBUKOAKNSA-N 2 1 345.531 3.287 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)c1cc(C)ccc1C ZINC001754499775 1440613775 /nfs/dbraw/zinc/61/37/75/1440613775.db2.gz DPUUIGJMBQGSED-RBUKOAKNSA-N 2 1 345.531 3.287 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)c1cc(C)ccc1C ZINC001754499775 1440613776 /nfs/dbraw/zinc/61/37/76/1440613776.db2.gz DPUUIGJMBQGSED-RBUKOAKNSA-N 2 1 345.531 3.287 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001754539758 1440625788 /nfs/dbraw/zinc/62/57/88/1440625788.db2.gz VANMJIYDCSQHAP-SLVIYJBESA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001754539758 1440625789 /nfs/dbraw/zinc/62/57/89/1440625789.db2.gz VANMJIYDCSQHAP-SLVIYJBESA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001754539758 1440625790 /nfs/dbraw/zinc/62/57/90/1440625790.db2.gz VANMJIYDCSQHAP-SLVIYJBESA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CCC3CCCCC3)C2)C1 ZINC001754570418 1440636893 /nfs/dbraw/zinc/63/68/93/1440636893.db2.gz WACSAMACEFEIJR-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@@]2(CC[N@H+](CCC3CCCCC3)C2)C1 ZINC001754570418 1440636894 /nfs/dbraw/zinc/63/68/94/1440636894.db2.gz WACSAMACEFEIJR-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@@]2(CC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001754570418 1440636895 /nfs/dbraw/zinc/63/68/95/1440636895.db2.gz WACSAMACEFEIJR-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C[C@H]1C ZINC001754605017 1440643095 /nfs/dbraw/zinc/64/30/95/1440643095.db2.gz VEECKOYJBSEPKI-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH2+]C(C)C)c1ccc2ccccc2c1 ZINC001754644616 1440649923 /nfs/dbraw/zinc/64/99/23/1440649923.db2.gz VNRWZLWGVYZRCA-HXUWFJFHSA-N 2 1 341.499 3.337 20 0 EGADMP CC(C)[NH2+]C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C1CCCC1 ZINC001754653304 1440652577 /nfs/dbraw/zinc/65/25/77/1440652577.db2.gz XKIBYZRWJKYDGI-LJQANCHMSA-N 2 1 337.552 3.314 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001754661507 1440655090 /nfs/dbraw/zinc/65/50/90/1440655090.db2.gz GLVPKGTYUVTLGQ-RMUOZIPVSA-N 2 1 349.563 3.389 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001754679401 1440661461 /nfs/dbraw/zinc/66/14/61/1440661461.db2.gz QTVGNRCWEDGORC-PVTFFILZSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001754679401 1440661462 /nfs/dbraw/zinc/66/14/62/1440661462.db2.gz QTVGNRCWEDGORC-PVTFFILZSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001754679401 1440661463 /nfs/dbraw/zinc/66/14/63/1440661463.db2.gz QTVGNRCWEDGORC-PVTFFILZSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001754681264 1440662319 /nfs/dbraw/zinc/66/23/19/1440662319.db2.gz CXKULUPBYSXQEY-ICSRJNTNSA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001754681264 1440662320 /nfs/dbraw/zinc/66/23/20/1440662320.db2.gz CXKULUPBYSXQEY-ICSRJNTNSA-N 2 1 349.494 3.199 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001754681464 1440662633 /nfs/dbraw/zinc/66/26/33/1440662633.db2.gz BHMPOXLLWXQIOJ-HXUWFJFHSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001754709462 1440669962 /nfs/dbraw/zinc/66/99/62/1440669962.db2.gz ZTSTWVIOTOOFNH-HXUWFJFHSA-N 2 1 346.519 3.025 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCC2(C)CC[NH+](CCC3CCCC3)CC2)C1 ZINC001754721355 1440673347 /nfs/dbraw/zinc/67/33/47/1440673347.db2.gz LGGXHRFLMWPANH-LJQANCHMSA-N 2 1 349.563 3.127 20 0 EGADMP CCCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001754727761 1440677241 /nfs/dbraw/zinc/67/72/41/1440677241.db2.gz MRJWHIQIFONHQG-AZUAARDMSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001754727761 1440677242 /nfs/dbraw/zinc/67/72/42/1440677242.db2.gz MRJWHIQIFONHQG-AZUAARDMSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001754727761 1440677243 /nfs/dbraw/zinc/67/72/43/1440677243.db2.gz MRJWHIQIFONHQG-AZUAARDMSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001754732095 1440680197 /nfs/dbraw/zinc/68/01/97/1440680197.db2.gz NJCCNERXRWQLFD-NRFANRHFSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001754838652 1440697378 /nfs/dbraw/zinc/69/73/78/1440697378.db2.gz MCLXYXFVXLSFBK-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CC1)C1CCCCC1 ZINC001754868760 1440704217 /nfs/dbraw/zinc/70/42/17/1440704217.db2.gz PUDAVQIXUXCEHB-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC1)C1CCCCC1 ZINC001754868760 1440704218 /nfs/dbraw/zinc/70/42/18/1440704218.db2.gz PUDAVQIXUXCEHB-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC1)C1CCCCC1 ZINC001754868760 1440704219 /nfs/dbraw/zinc/70/42/19/1440704219.db2.gz PUDAVQIXUXCEHB-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001754873462 1440705959 /nfs/dbraw/zinc/70/59/59/1440705959.db2.gz KGWYMBYKTIGELK-AWTIPJNISA-N 2 1 349.563 3.243 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001754873462 1440705960 /nfs/dbraw/zinc/70/59/60/1440705960.db2.gz KGWYMBYKTIGELK-AWTIPJNISA-N 2 1 349.563 3.243 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001754873462 1440705961 /nfs/dbraw/zinc/70/59/61/1440705961.db2.gz KGWYMBYKTIGELK-AWTIPJNISA-N 2 1 349.563 3.243 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC001754874709 1440706426 /nfs/dbraw/zinc/70/64/26/1440706426.db2.gz KODJZXARNPCTRU-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001754874709 1440706427 /nfs/dbraw/zinc/70/64/27/1440706427.db2.gz KODJZXARNPCTRU-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001754874709 1440706428 /nfs/dbraw/zinc/70/64/28/1440706428.db2.gz KODJZXARNPCTRU-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP O=C(NCC1([NH2+]CCC2CCCC2)CCC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001754988236 1440723596 /nfs/dbraw/zinc/72/35/96/1440723596.db2.gz WGXUFTDLJCVNBV-MOPGFXCFSA-N 2 1 347.547 3.212 20 0 EGADMP CN(CCC[N@@H+](C)CCC(C)(C)C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001755044330 1440739601 /nfs/dbraw/zinc/73/96/01/1440739601.db2.gz QDKGHJXWWCLFSB-QZTJIDSGSA-N 2 1 339.568 3.323 20 0 EGADMP CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001755073655 1440747661 /nfs/dbraw/zinc/74/76/61/1440747661.db2.gz BVZSJDAEGVVORI-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001755128126 1440756608 /nfs/dbraw/zinc/75/66/08/1440756608.db2.gz SVMXOKBGZXAVKG-SFHVURJKSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C)([NH2+]CCC2CCCCC2)CC1 ZINC001755135268 1440758077 /nfs/dbraw/zinc/75/80/77/1440758077.db2.gz JASFDUONGVEJEA-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001755162966 1440765458 /nfs/dbraw/zinc/76/54/58/1440765458.db2.gz BOYJRNXEROJVJB-HKUYNNGSSA-N 2 1 345.531 3.231 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@H+]1CC1CCCC1 ZINC001755165855 1440766986 /nfs/dbraw/zinc/76/69/86/1440766986.db2.gz SYNORJJIXNDMGN-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001755166488 1440767219 /nfs/dbraw/zinc/76/72/19/1440767219.db2.gz DDXFBGMQIVZIRJ-ROUUACIJSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001755166488 1440767220 /nfs/dbraw/zinc/76/72/20/1440767220.db2.gz DDXFBGMQIVZIRJ-ROUUACIJSA-N 2 1 348.535 3.412 20 0 EGADMP CCC[N@@H+](CC)CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001755184969 1440772675 /nfs/dbraw/zinc/77/26/75/1440772675.db2.gz QBBDKFWZLBDRRS-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](CCC(C)(C)C)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001755195173 1440776502 /nfs/dbraw/zinc/77/65/02/1440776502.db2.gz KQTSJVYHTBVTKK-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCC(C)(C)C)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001755195173 1440776503 /nfs/dbraw/zinc/77/65/03/1440776503.db2.gz KQTSJVYHTBVTKK-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCC(C)(C)C)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001755195173 1440776504 /nfs/dbraw/zinc/77/65/04/1440776504.db2.gz KQTSJVYHTBVTKK-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC001755277404 1440799522 /nfs/dbraw/zinc/79/95/22/1440799522.db2.gz KLXZCFODXJEXPF-QAPCUYQASA-N 2 1 349.494 3.055 20 0 EGADMP CN(CC(C)(C)C[NH2+]CC1CCC1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001755287696 1440802678 /nfs/dbraw/zinc/80/26/78/1440802678.db2.gz IDVHNSIALQYOLI-LJQANCHMSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001755289383 1440803218 /nfs/dbraw/zinc/80/32/18/1440803218.db2.gz LTXQJZVFPLSYDO-ROUUACIJSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@H](C(=O)NC[C@H](C)[N@@H+](C)CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001755319567 1440817826 /nfs/dbraw/zinc/81/78/26/1440817826.db2.gz JAXKKXORONEMEY-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001755323976 1440820237 /nfs/dbraw/zinc/82/02/37/1440820237.db2.gz YKPWIRXTVNCEIP-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001755323976 1440820238 /nfs/dbraw/zinc/82/02/38/1440820238.db2.gz YKPWIRXTVNCEIP-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001755323976 1440820239 /nfs/dbraw/zinc/82/02/39/1440820239.db2.gz YKPWIRXTVNCEIP-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CC(C)(C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCC1)[NH+]1CCCCC1 ZINC001755363579 1440833066 /nfs/dbraw/zinc/83/30/66/1440833066.db2.gz KSQGWIRNRYESNT-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC2CC2)CC1(C)C)[NH+]1CCCCC1 ZINC001755416561 1440849150 /nfs/dbraw/zinc/84/91/50/1440849150.db2.gz UTJQBRUYYNXFQG-MOPGFXCFSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[NH+]([C@@H](C)c2ccccc2C)CC1(C)C ZINC001755417081 1440849303 /nfs/dbraw/zinc/84/93/03/1440849303.db2.gz YERHDKYZKNKXJC-HKUYNNGSSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[N@@H+]([C@@H](C)c2ccccc2C)CC1(C)C ZINC001755417081 1440849304 /nfs/dbraw/zinc/84/93/04/1440849304.db2.gz YERHDKYZKNKXJC-HKUYNNGSSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[N@H+]([C@@H](C)c2ccccc2C)CC1(C)C ZINC001755417081 1440849305 /nfs/dbraw/zinc/84/93/05/1440849305.db2.gz YERHDKYZKNKXJC-HKUYNNGSSA-N 2 1 345.531 3.224 20 0 EGADMP CC(C)=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001755502918 1440862777 /nfs/dbraw/zinc/86/27/77/1440862777.db2.gz KLNZTIVMALUQNJ-PKOBYXMFSA-N 2 1 335.536 3.234 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCC[C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001755518003 1440864499 /nfs/dbraw/zinc/86/44/99/1440864499.db2.gz ZQVXOLGEYUJDAN-HKUYNNGSSA-N 2 1 345.531 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccccc1F ZINC001755527188 1440866014 /nfs/dbraw/zinc/86/60/14/1440866014.db2.gz XIMPTUGBXOURBP-QFBILLFUSA-N 2 1 349.494 3.075 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)[C@H]1C ZINC001755662786 1440892936 /nfs/dbraw/zinc/89/29/36/1440892936.db2.gz HDMXEHLVXLGLBM-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCCC2CCC2)CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001755687010 1440896066 /nfs/dbraw/zinc/89/60/66/1440896066.db2.gz RSBRZLUVAQKRNT-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001755700075 1440899816 /nfs/dbraw/zinc/89/98/16/1440899816.db2.gz BYQGUFGDCBMGRX-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP CCCCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001755700074 1440899831 /nfs/dbraw/zinc/89/98/31/1440899831.db2.gz BYQGUFGDCBMGRX-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP CCCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001755703361 1440901457 /nfs/dbraw/zinc/90/14/57/1440901457.db2.gz XMPQIELBBNJNJK-SOAMZJECSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001755703361 1440901458 /nfs/dbraw/zinc/90/14/58/1440901458.db2.gz XMPQIELBBNJNJK-SOAMZJECSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001755703361 1440901459 /nfs/dbraw/zinc/90/14/59/1440901459.db2.gz XMPQIELBBNJNJK-SOAMZJECSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2 ZINC001755704837 1440902000 /nfs/dbraw/zinc/90/20/00/1440902000.db2.gz QVWVILBCIUDYFB-QUCCMNQESA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CCC1CCCC1)CC2 ZINC001755705203 1440902435 /nfs/dbraw/zinc/90/24/35/1440902435.db2.gz VWOYSZXNTVJEFI-AZUAARDMSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@]12CCC[C@@H]1[N@H+](CCC1CCCC1)CC2 ZINC001755705203 1440902436 /nfs/dbraw/zinc/90/24/36/1440902436.db2.gz VWOYSZXNTVJEFI-AZUAARDMSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCC1CCCC1)CC2 ZINC001755705203 1440902437 /nfs/dbraw/zinc/90/24/37/1440902437.db2.gz VWOYSZXNTVJEFI-AZUAARDMSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1CC1CCCCCC1 ZINC001755722834 1440908132 /nfs/dbraw/zinc/90/81/32/1440908132.db2.gz OTILJTRUZMDWMX-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c(C)c1 ZINC001755724728 1440908979 /nfs/dbraw/zinc/90/89/79/1440908979.db2.gz XHIKCFIQKMCXEF-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC001755757582 1440914262 /nfs/dbraw/zinc/91/42/62/1440914262.db2.gz NVUIZFYSNVHFJA-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C(C)(C)C1 ZINC001755765508 1440916129 /nfs/dbraw/zinc/91/61/29/1440916129.db2.gz QRVBPPOIZDPJBT-MAUKXSAKSA-N 2 1 349.494 3.055 20 0 EGADMP Cc1ccc(C[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C)c(C)c1 ZINC001755839124 1440931116 /nfs/dbraw/zinc/93/11/16/1440931116.db2.gz JDXXOTNBYPURRL-IBGZPJMESA-N 2 1 347.547 3.264 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001755890341 1440941189 /nfs/dbraw/zinc/94/11/89/1440941189.db2.gz DRWNRZLNWRXAGF-SFHVURJKSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(C3C[NH2+]C3)CC2)nc1 ZINC001164614509 719037621 /nfs/dbraw/zinc/03/76/21/719037621.db2.gz CNCSDBVOENAVNN-FQEVSTJZSA-N 2 1 342.531 3.454 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000174419202 231203417 /nfs/dbraw/zinc/20/34/17/231203417.db2.gz JTUSTUMNYQZZEX-HNNXBMFYSA-N 2 1 337.427 3.200 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000375621408 282187616 /nfs/dbraw/zinc/18/76/16/282187616.db2.gz SHKLPNYMVRSECS-VQIMIIECSA-N 2 1 339.524 3.050 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cnn(C)c1 ZINC000165292243 529620971 /nfs/dbraw/zinc/62/09/71/529620971.db2.gz WTRORUDDXDWVNW-QUCCMNQESA-N 2 1 326.488 3.025 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CC4CCOCC4)CC[C@@H]32)cc1 ZINC000178650611 232339699 /nfs/dbraw/zinc/33/96/99/232339699.db2.gz JTRQPLGWNDKNJQ-SFTDATJTSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CC4CCOCC4)CC[C@@H]32)cc1 ZINC000178650611 232339701 /nfs/dbraw/zinc/33/97/01/232339701.db2.gz JTRQPLGWNDKNJQ-SFTDATJTSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CC4CCOCC4)CC[C@@H]32)cc1 ZINC000178650611 232339703 /nfs/dbraw/zinc/33/97/03/232339703.db2.gz JTRQPLGWNDKNJQ-SFTDATJTSA-N 2 1 328.500 3.400 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000103188368 219267684 /nfs/dbraw/zinc/26/76/84/219267684.db2.gz DNQCIPIKMAILAC-HXUWFJFHSA-N 2 1 339.483 3.057 20 0 EGADMP CC1(C)CC([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CC(C)(C)[NH2+]1 ZINC000103341065 219292812 /nfs/dbraw/zinc/29/28/12/219292812.db2.gz WBPHZTPHQMVPNB-UHFFFAOYSA-N 2 1 330.451 3.410 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]CC3(C[NH+](C)C)CCCC3)c(C)n2n1 ZINC000183953372 235269570 /nfs/dbraw/zinc/26/95/70/235269570.db2.gz SVULYEWFHRXVTF-OAHLLOKOSA-N 2 1 329.492 3.119 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187125886 236125346 /nfs/dbraw/zinc/12/53/46/236125346.db2.gz AOWNSMHPPNTMJI-KRWDZBQOSA-N 2 1 343.515 3.197 20 0 EGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187126685 236125873 /nfs/dbraw/zinc/12/58/73/236125873.db2.gz HFBYPPOPKBVBNM-IRXDYDNUSA-N 2 1 343.515 3.053 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000072858500 216318021 /nfs/dbraw/zinc/31/80/21/216318021.db2.gz AECFNYQZJQQSMN-OAHLLOKOSA-N 2 1 330.394 3.401 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000072858500 216318023 /nfs/dbraw/zinc/31/80/23/216318023.db2.gz AECFNYQZJQQSMN-OAHLLOKOSA-N 2 1 330.394 3.401 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000072858500 216318027 /nfs/dbraw/zinc/31/80/27/216318027.db2.gz AECFNYQZJQQSMN-OAHLLOKOSA-N 2 1 330.394 3.401 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000072858500 216318029 /nfs/dbraw/zinc/31/80/29/216318029.db2.gz AECFNYQZJQQSMN-OAHLLOKOSA-N 2 1 330.394 3.401 20 0 EGADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1cc[nH+]c2cc(F)ccc21 ZINC000369691796 242014517 /nfs/dbraw/zinc/01/45/17/242014517.db2.gz KUBIZBYUKKKEBJ-CQSZACIVSA-N 2 1 329.419 3.063 20 0 EGADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1cc[nH+]c2cc(F)ccc21 ZINC000369691796 242014520 /nfs/dbraw/zinc/01/45/20/242014520.db2.gz KUBIZBYUKKKEBJ-CQSZACIVSA-N 2 1 329.419 3.063 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236708961 242329795 /nfs/dbraw/zinc/32/97/95/242329795.db2.gz CFEPJQGJQAKCOE-LJQANCHMSA-N 2 1 331.504 3.047 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000262653092 245097253 /nfs/dbraw/zinc/09/72/53/245097253.db2.gz SCQSNBUVYKBVLA-MOPGFXCFSA-N 2 1 331.504 3.052 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[NH+](CC)CC ZINC000078822474 217129635 /nfs/dbraw/zinc/12/96/35/217129635.db2.gz BNWWQTLCVNCDQC-WOJBJXKFSA-N 2 1 345.531 3.278 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)Cc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000111241189 220122208 /nfs/dbraw/zinc/12/22/08/220122208.db2.gz GJEWZWCHMNDHME-UHFFFAOYSA-N 2 1 329.492 3.318 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000111241189 220122211 /nfs/dbraw/zinc/12/22/11/220122211.db2.gz GJEWZWCHMNDHME-UHFFFAOYSA-N 2 1 329.492 3.318 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000264013177 284368168 /nfs/dbraw/zinc/36/81/68/284368168.db2.gz GQEPUIPSYMXUBV-IEBWSBKVSA-N 2 1 333.520 3.306 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCc1ccccc1C[NH+](C)C)c1ccccc1 ZINC000171475528 284371192 /nfs/dbraw/zinc/37/11/92/284371192.db2.gz UZHCQGBFEKSLPA-FQEVSTJZSA-N 2 1 339.483 3.057 20 0 EGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000266180424 248152737 /nfs/dbraw/zinc/15/27/37/248152737.db2.gz SFXPCFSHTRELOV-HXUWFJFHSA-N 2 1 343.515 3.229 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc4occc4c3)C2)CC1 ZINC000377621504 169049777 /nfs/dbraw/zinc/04/97/77/169049777.db2.gz XKPRECXEONYJNF-IBGZPJMESA-N 2 1 327.472 3.033 20 0 EGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000377633577 169052582 /nfs/dbraw/zinc/05/25/82/169052582.db2.gz VKRLCCUDPBAKNS-AYBZRNKSSA-N 2 1 331.504 3.003 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC[N@H+]1C ZINC000378571046 169139817 /nfs/dbraw/zinc/13/98/17/169139817.db2.gz PJSNPHIYMJUUFR-OHLDOZIISA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC[NH+]1C ZINC000378571046 169139819 /nfs/dbraw/zinc/13/98/19/169139819.db2.gz PJSNPHIYMJUUFR-OHLDOZIISA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH+]1C ZINC000378571046 169139823 /nfs/dbraw/zinc/13/98/23/169139823.db2.gz PJSNPHIYMJUUFR-OHLDOZIISA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCN1C ZINC000378571046 169139826 /nfs/dbraw/zinc/13/98/26/169139826.db2.gz PJSNPHIYMJUUFR-OHLDOZIISA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCN1C ZINC000378571046 169139827 /nfs/dbraw/zinc/13/98/27/169139827.db2.gz PJSNPHIYMJUUFR-OHLDOZIISA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000091739232 218056325 /nfs/dbraw/zinc/05/63/25/218056325.db2.gz DZINLOALWJNYNF-GLJUWKHASA-N 2 1 331.435 3.342 20 0 EGADMP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066943 218113958 /nfs/dbraw/zinc/11/39/58/218113958.db2.gz DYILDWKUHPYWSO-YLJYHZDGSA-N 2 1 327.472 3.094 20 0 EGADMP CC(=O)Nc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066943 218113960 /nfs/dbraw/zinc/11/39/60/218113960.db2.gz DYILDWKUHPYWSO-YLJYHZDGSA-N 2 1 327.472 3.094 20 0 EGADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066943 218113962 /nfs/dbraw/zinc/11/39/62/218113962.db2.gz DYILDWKUHPYWSO-YLJYHZDGSA-N 2 1 327.472 3.094 20 0 EGADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066943 218113964 /nfs/dbraw/zinc/11/39/64/218113964.db2.gz DYILDWKUHPYWSO-YLJYHZDGSA-N 2 1 327.472 3.094 20 0 EGADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nccn1C(F)F ZINC000092820999 218171899 /nfs/dbraw/zinc/17/18/99/218171899.db2.gz SSWOUYZOJFCJSM-UHFFFAOYSA-N 2 1 349.429 3.412 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nccn1C(F)F ZINC000092820999 218171901 /nfs/dbraw/zinc/17/19/01/218171901.db2.gz SSWOUYZOJFCJSM-UHFFFAOYSA-N 2 1 349.429 3.412 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000093693845 218243188 /nfs/dbraw/zinc/24/31/88/218243188.db2.gz UOLJPGJTNZXHQC-INIZCTEOSA-N 2 1 342.487 3.249 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000093693845 218243191 /nfs/dbraw/zinc/24/31/91/218243191.db2.gz UOLJPGJTNZXHQC-INIZCTEOSA-N 2 1 342.487 3.249 20 0 EGADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268804426 252257054 /nfs/dbraw/zinc/25/70/54/252257054.db2.gz CEHPOYVQQGNWPY-CEWLAPEOSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268804426 252257056 /nfs/dbraw/zinc/25/70/56/252257056.db2.gz CEHPOYVQQGNWPY-CEWLAPEOSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268804426 252257061 /nfs/dbraw/zinc/25/70/61/252257061.db2.gz CEHPOYVQQGNWPY-CEWLAPEOSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268804426 252257065 /nfs/dbraw/zinc/25/70/65/252257065.db2.gz CEHPOYVQQGNWPY-CEWLAPEOSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268804426 252257071 /nfs/dbraw/zinc/25/70/71/252257071.db2.gz CEHPOYVQQGNWPY-CEWLAPEOSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268804426 252257075 /nfs/dbraw/zinc/25/70/75/252257075.db2.gz CEHPOYVQQGNWPY-CEWLAPEOSA-N 3 1 329.532 3.361 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268804426 252257081 /nfs/dbraw/zinc/25/70/81/252257081.db2.gz CEHPOYVQQGNWPY-CEWLAPEOSA-N 3 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268804426 252257084 /nfs/dbraw/zinc/25/70/84/252257084.db2.gz CEHPOYVQQGNWPY-CEWLAPEOSA-N 3 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000268804426 252257088 /nfs/dbraw/zinc/25/70/88/252257088.db2.gz CEHPOYVQQGNWPY-CEWLAPEOSA-N 3 1 329.532 3.361 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc12 ZINC000268841809 252288915 /nfs/dbraw/zinc/28/89/15/252288915.db2.gz NQACVPJNWYBWSU-MRXNPFEDSA-N 2 1 342.483 3.346 20 0 EGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000268848517 252295680 /nfs/dbraw/zinc/29/56/80/252295680.db2.gz FKHKVVWWRFYXBV-QZTJIDSGSA-N 2 1 346.515 3.422 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(-c2ccccc2)o1 ZINC000155112884 533498801 /nfs/dbraw/zinc/49/88/01/533498801.db2.gz ZEFLPZLZJCJWSA-DLBZAZTESA-N 2 1 327.472 3.233 20 0 EGADMP O[C@@]1(CNCc2ccccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000344555955 141172862 /nfs/dbraw/zinc/17/28/62/141172862.db2.gz YLHITECUBASSSX-LJQANCHMSA-N 2 1 330.859 3.067 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C)c1OC ZINC000347891257 141211276 /nfs/dbraw/zinc/21/12/76/141211276.db2.gz YSYSNEVCNFLWQN-KRWDZBQOSA-N 2 1 332.488 3.176 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C)c1OC ZINC000347891257 141211278 /nfs/dbraw/zinc/21/12/78/141211278.db2.gz YSYSNEVCNFLWQN-KRWDZBQOSA-N 2 1 332.488 3.176 20 0 EGADMP COc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(C)c1OC ZINC000347891257 141211280 /nfs/dbraw/zinc/21/12/80/141211280.db2.gz YSYSNEVCNFLWQN-KRWDZBQOSA-N 2 1 332.488 3.176 20 0 EGADMP COc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(C)c1OC ZINC000347891257 141211283 /nfs/dbraw/zinc/21/12/83/141211283.db2.gz YSYSNEVCNFLWQN-KRWDZBQOSA-N 2 1 332.488 3.176 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCN2CCCCC2=O)cc1 ZINC000348033292 141234588 /nfs/dbraw/zinc/23/45/88/141234588.db2.gz YOGJAPSUDJLDCT-INIZCTEOSA-N 2 1 340.471 3.234 20 0 EGADMP Cn1c2ccc(C[NH2+]C(C)(C)CC[NH+]3CCCCCC3)cc2oc1=O ZINC000352946001 141275228 /nfs/dbraw/zinc/27/52/28/141275228.db2.gz LFTQPKYFEGNLNB-UHFFFAOYSA-N 2 1 345.487 3.266 20 0 EGADMP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000353472353 141304606 /nfs/dbraw/zinc/30/46/06/141304606.db2.gz TULZDDJSNZHVQW-UXPWSPDFSA-N 2 1 343.515 3.491 20 0 EGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccccc1 ZINC000356840566 141352418 /nfs/dbraw/zinc/35/24/18/141352418.db2.gz FQPRVWRSSGTHDI-SXLOBPIMSA-N 2 1 334.504 3.101 20 0 EGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccccc1 ZINC000356840566 141352420 /nfs/dbraw/zinc/35/24/20/141352420.db2.gz FQPRVWRSSGTHDI-SXLOBPIMSA-N 2 1 334.504 3.101 20 0 EGADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000178209899 144066461 /nfs/dbraw/zinc/06/64/61/144066461.db2.gz NHMDBOBVVMQAHM-LIRRHRJNSA-N 2 1 341.430 3.449 20 0 EGADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000178209899 144066463 /nfs/dbraw/zinc/06/64/63/144066463.db2.gz NHMDBOBVVMQAHM-LIRRHRJNSA-N 2 1 341.430 3.449 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@@H]12 ZINC000351491365 144268598 /nfs/dbraw/zinc/26/85/98/144268598.db2.gz JUDDFRDARMZTHM-AFYVEPGGSA-N 2 1 335.451 3.036 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@@H]12 ZINC000351491365 144268600 /nfs/dbraw/zinc/26/86/00/144268600.db2.gz JUDDFRDARMZTHM-AFYVEPGGSA-N 2 1 335.451 3.036 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCOc3cccc(C(F)(F)F)c3)C[C@@H]12 ZINC000351495022 144269549 /nfs/dbraw/zinc/26/95/49/144269549.db2.gz OTAPXTSCQFRSEI-DAXOMENPSA-N 2 1 328.378 3.143 20 0 EGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3conc3Cc3ccccc3)CC[C@H]21 ZINC000351815534 144310558 /nfs/dbraw/zinc/31/05/58/144310558.db2.gz WEDPNICPCZJPAT-FXAWDEMLSA-N 2 1 325.456 3.182 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3conc3Cc3ccccc3)CC[C@H]21 ZINC000351815534 144310559 /nfs/dbraw/zinc/31/05/59/144310559.db2.gz WEDPNICPCZJPAT-FXAWDEMLSA-N 2 1 325.456 3.182 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3conc3Cc3ccccc3)CC[C@H]21 ZINC000351815534 144310560 /nfs/dbraw/zinc/31/05/60/144310560.db2.gz WEDPNICPCZJPAT-FXAWDEMLSA-N 2 1 325.456 3.182 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3conc3Cc3ccccc3)CC[C@H]21 ZINC000351815534 144310561 /nfs/dbraw/zinc/31/05/61/144310561.db2.gz WEDPNICPCZJPAT-FXAWDEMLSA-N 2 1 325.456 3.182 20 0 EGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3conc3Cc3ccccc3)CC[C@H]21 ZINC000351815537 144310631 /nfs/dbraw/zinc/31/06/31/144310631.db2.gz WEDPNICPCZJPAT-YLJYHZDGSA-N 2 1 325.456 3.182 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3conc3Cc3ccccc3)CC[C@H]21 ZINC000351815537 144310633 /nfs/dbraw/zinc/31/06/33/144310633.db2.gz WEDPNICPCZJPAT-YLJYHZDGSA-N 2 1 325.456 3.182 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3conc3Cc3ccccc3)CC[C@H]21 ZINC000351815537 144310635 /nfs/dbraw/zinc/31/06/35/144310635.db2.gz WEDPNICPCZJPAT-YLJYHZDGSA-N 2 1 325.456 3.182 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3conc3Cc3ccccc3)CC[C@H]21 ZINC000351815537 144310636 /nfs/dbraw/zinc/31/06/36/144310636.db2.gz WEDPNICPCZJPAT-YLJYHZDGSA-N 2 1 325.456 3.182 20 0 EGADMP Cc1ccc2c(c1)C[N@H+](C[C@@H](O)Cn1cnc3cc(C)c(C)cc31)C2 ZINC000361600308 144335003 /nfs/dbraw/zinc/33/50/03/144335003.db2.gz GKUSQDRWWQAGAF-LJQANCHMSA-N 2 1 335.451 3.338 20 0 EGADMP Cc1ccc2c(c1)CN(C[C@@H](O)Cn1cnc3cc(C)c(C)cc31)C2 ZINC000361600308 144335004 /nfs/dbraw/zinc/33/50/04/144335004.db2.gz GKUSQDRWWQAGAF-LJQANCHMSA-N 2 1 335.451 3.338 20 0 EGADMP CCC(CC)[C@H](CNC1CC[NH+](Cc2ccccn2)CC1)[NH+](C)C ZINC000341442182 155294383 /nfs/dbraw/zinc/29/43/83/155294383.db2.gz QDLWEJDJTIFUGR-FQEVSTJZSA-N 2 1 332.536 3.002 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](C)C[C@@H]1C)c1cccc(OC)c1 ZINC000119040935 152168413 /nfs/dbraw/zinc/16/84/13/152168413.db2.gz ZJHNLIWLACXTGX-FFZOFVMBSA-N 2 1 333.520 3.008 20 0 EGADMP CSc1ccc(OCC[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000120200781 152258932 /nfs/dbraw/zinc/25/89/32/152258932.db2.gz YBVVOFBWIPZWEA-QGZVFWFLSA-N 2 1 330.453 3.336 20 0 EGADMP Cc1nc2ccccc2n1CCCNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000120668318 152291661 /nfs/dbraw/zinc/29/16/61/152291661.db2.gz UFVAMRMMJBAYDM-XHSDSOJGSA-N 2 1 342.487 3.112 20 0 EGADMP FC(F)(F)c1ccn([C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000189181543 153055023 /nfs/dbraw/zinc/05/50/23/153055023.db2.gz CNZQVDFRSBFZFU-HNNXBMFYSA-N 2 1 344.425 3.415 20 0 EGADMP FC(F)(F)c1ccn([C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000189181543 153055027 /nfs/dbraw/zinc/05/50/27/153055027.db2.gz CNZQVDFRSBFZFU-HNNXBMFYSA-N 2 1 344.425 3.415 20 0 EGADMP FC(F)(F)COCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310383197 154142871 /nfs/dbraw/zinc/14/28/71/154142871.db2.gz JNBZRBGKPWNQLS-IRXDYDNUSA-N 2 1 342.405 3.019 20 0 EGADMP FC(F)(F)COCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310383197 154142874 /nfs/dbraw/zinc/14/28/74/154142874.db2.gz JNBZRBGKPWNQLS-IRXDYDNUSA-N 2 1 342.405 3.019 20 0 EGADMP FC(F)(F)COCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310383197 154142876 /nfs/dbraw/zinc/14/28/76/154142876.db2.gz JNBZRBGKPWNQLS-IRXDYDNUSA-N 2 1 342.405 3.019 20 0 EGADMP FC(F)(F)COCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310383197 154142881 /nfs/dbraw/zinc/14/28/81/154142881.db2.gz JNBZRBGKPWNQLS-IRXDYDNUSA-N 2 1 342.405 3.019 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000337290428 154262056 /nfs/dbraw/zinc/26/20/56/154262056.db2.gz NXVUUWGQMFPNSP-MRXNPFEDSA-N 2 1 345.531 3.106 20 0 EGADMP C[N@H+]1CCN(CCC[NH2+][C@H]2CCC23CCC3)[C@H](c2ccccc2)C1 ZINC000337402675 154334360 /nfs/dbraw/zinc/33/43/60/154334360.db2.gz QPZXEACHHMUGKT-PMACEKPBSA-N 2 1 327.516 3.288 20 0 EGADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C12CCCC2 ZINC000181851627 286488655 /nfs/dbraw/zinc/48/86/55/286488655.db2.gz KGKHDVUWTMCWRF-MOPGFXCFSA-N 2 1 338.536 3.203 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc2cc[nH]c21 ZINC000349060057 156336563 /nfs/dbraw/zinc/33/65/63/156336563.db2.gz FAELKSPBDTUBAI-IBGZPJMESA-N 2 1 328.504 3.016 20 0 EGADMP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccnc2)n1 ZINC000362086770 157015656 /nfs/dbraw/zinc/01/56/56/157015656.db2.gz NDEDBJPWWYWTRI-SFHVURJKSA-N 2 1 348.454 3.252 20 0 EGADMP Cn1cncc1C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126413534 162302290 /nfs/dbraw/zinc/30/22/90/162302290.db2.gz FQMZLOUNRCEACR-CYBMUJFWSA-N 2 1 326.227 3.380 20 0 EGADMP Cn1cncc1CN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126413534 162302294 /nfs/dbraw/zinc/30/22/94/162302294.db2.gz FQMZLOUNRCEACR-CYBMUJFWSA-N 2 1 326.227 3.380 20 0 EGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000248503233 163010345 /nfs/dbraw/zinc/01/03/45/163010345.db2.gz URPZLXIUBFCVJM-SJORKVTESA-N 2 1 348.487 3.009 20 0 EGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000248503233 163010347 /nfs/dbraw/zinc/01/03/47/163010347.db2.gz URPZLXIUBFCVJM-SJORKVTESA-N 2 1 348.487 3.009 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248551434 163013520 /nfs/dbraw/zinc/01/35/20/163013520.db2.gz GTXQURIBFTVXGI-ZWOKBUDYSA-N 2 1 341.499 3.035 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248551434 163013524 /nfs/dbraw/zinc/01/35/24/163013524.db2.gz GTXQURIBFTVXGI-ZWOKBUDYSA-N 2 1 341.499 3.035 20 0 EGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@H]3CCC(C)(C)O3)CC2)C[C@H](C)O1 ZINC000248588485 163017324 /nfs/dbraw/zinc/01/73/24/163017324.db2.gz YNXTZQKZJQVIBN-ZIFCJYIRSA-N 2 1 338.536 3.155 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)ccc(O)c2n1 ZINC000338317259 163211105 /nfs/dbraw/zinc/21/11/05/163211105.db2.gz PRWDTSWDKCDHTL-KRWDZBQOSA-N 2 1 339.483 3.413 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)ccc(O)c2n1 ZINC000338317259 163211107 /nfs/dbraw/zinc/21/11/07/163211107.db2.gz PRWDTSWDKCDHTL-KRWDZBQOSA-N 2 1 339.483 3.413 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)ccc(O)c2n1 ZINC000338317259 163211108 /nfs/dbraw/zinc/21/11/08/163211108.db2.gz PRWDTSWDKCDHTL-KRWDZBQOSA-N 2 1 339.483 3.413 20 0 EGADMP COC(=O)CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000338334729 163214406 /nfs/dbraw/zinc/21/44/06/163214406.db2.gz OSGRXRLZAINIFJ-GOSISDBHSA-N 2 1 344.499 3.220 20 0 EGADMP COC(=O)CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000338334729 163214409 /nfs/dbraw/zinc/21/44/09/163214409.db2.gz OSGRXRLZAINIFJ-GOSISDBHSA-N 2 1 344.499 3.220 20 0 EGADMP CCC[NH+](CCC)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000338936678 163392330 /nfs/dbraw/zinc/39/23/30/163392330.db2.gz MYQMPLWZFRUPEB-UHFFFAOYSA-N 2 1 345.531 3.151 20 0 EGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000354371547 166010906 /nfs/dbraw/zinc/01/09/06/166010906.db2.gz ILOMXJQCGNFMRP-FQEVSTJZSA-N 2 1 343.515 3.277 20 0 EGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000354379191 166013527 /nfs/dbraw/zinc/01/35/27/166013527.db2.gz DXXUIAMHOVVOBT-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000354379191 166013530 /nfs/dbraw/zinc/01/35/30/166013530.db2.gz DXXUIAMHOVVOBT-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000354379191 166013531 /nfs/dbraw/zinc/01/35/31/166013531.db2.gz DXXUIAMHOVVOBT-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H](c1ccc(F)c(F)c1)N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343745060 164024489 /nfs/dbraw/zinc/02/44/89/164024489.db2.gz WDDOVLLUOSPYIS-LSDHHAIUSA-N 2 1 337.458 3.126 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000343767874 164029796 /nfs/dbraw/zinc/02/97/96/164029796.db2.gz IAPMVIUQKMNWBE-WSTZPKSXSA-N 2 1 343.515 3.030 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1ccccc1 ZINC000343801432 164037476 /nfs/dbraw/zinc/03/74/76/164037476.db2.gz IWQLOWUBBPLQBB-SLYNCCJLSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(F)cc1F ZINC000343989825 164078428 /nfs/dbraw/zinc/07/84/28/164078428.db2.gz ABIALQCSHODGQK-ZDUSSCGKSA-N 2 1 335.398 3.151 20 0 EGADMP CN(CCC[N@H+](C)Cc1nc(-c2ccccc2)cs1)CC[NH+](C)C ZINC000344031083 164086713 /nfs/dbraw/zinc/08/67/13/164086713.db2.gz PCINZEHEKMPLCW-UHFFFAOYSA-N 2 1 346.544 3.125 20 0 EGADMP CN(CCC[N@@H+](C)Cc1nc(-c2ccccc2)cs1)CC[NH+](C)C ZINC000344031083 164086716 /nfs/dbraw/zinc/08/67/16/164086716.db2.gz PCINZEHEKMPLCW-UHFFFAOYSA-N 2 1 346.544 3.125 20 0 EGADMP CC(C)CO[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1(C)C ZINC000344177448 164120483 /nfs/dbraw/zinc/12/04/83/164120483.db2.gz UQPHCVOGJXVTAI-MSOLQXFVSA-N 2 1 338.536 3.061 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344178193 164121286 /nfs/dbraw/zinc/12/12/86/164121286.db2.gz VJWFBFGYHXSXQD-FQEVSTJZSA-N 2 1 333.495 3.066 20 0 EGADMP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCCCC1 ZINC000345749511 164257927 /nfs/dbraw/zinc/25/79/27/164257927.db2.gz LDCZUUPFSNCSDR-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000346509010 164388615 /nfs/dbraw/zinc/38/86/15/164388615.db2.gz RXWZMMQFHFUSGM-UHFFFAOYSA-N 2 1 327.350 3.221 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000346509010 164388617 /nfs/dbraw/zinc/38/86/17/164388617.db2.gz RXWZMMQFHFUSGM-UHFFFAOYSA-N 2 1 327.350 3.221 20 0 EGADMP Cc1cc(C(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)[nH]1 ZINC000354900568 166059315 /nfs/dbraw/zinc/05/93/15/166059315.db2.gz QSIXOLNEVJIBRH-UHFFFAOYSA-N 2 1 340.471 3.058 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@@H](OC)c2ccccc2Cl)CC1 ZINC000354972109 166076679 /nfs/dbraw/zinc/07/66/79/166076679.db2.gz UJBKCKSUIBJSQI-RDTXWAMCSA-N 2 1 340.895 3.116 20 0 EGADMP COc1c(O)cccc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000350312556 165027681 /nfs/dbraw/zinc/02/76/81/165027681.db2.gz CMGDNHNJGALJRS-UHFFFAOYSA-N 2 1 341.455 3.144 20 0 EGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CC4=CCCOC4)C3)CC2)cc1 ZINC000353642198 165841080 /nfs/dbraw/zinc/84/10/80/165841080.db2.gz GVPFXGBSEFCQQY-UHFFFAOYSA-N 2 1 326.484 3.321 20 0 EGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000355129488 166113614 /nfs/dbraw/zinc/11/36/14/166113614.db2.gz YAUGMFFMZRWQDK-QUCCMNQESA-N 2 1 343.515 3.133 20 0 EGADMP O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000355389222 166181931 /nfs/dbraw/zinc/18/19/31/166181931.db2.gz VYGXTAMADHJSLR-FQEVSTJZSA-N 2 1 343.515 3.033 20 0 EGADMP Cc1nc2ccccc2n1CCC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000355416509 166191496 /nfs/dbraw/zinc/19/14/96/166191496.db2.gz HLZHCFVPHRKHLY-UHFFFAOYSA-N 2 1 333.395 3.330 20 0 EGADMP CCC[N@@H+](C)[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)c1ccc(Cl)cc1 ZINC000358937418 167013346 /nfs/dbraw/zinc/01/33/46/167013346.db2.gz VXZQFILEFVMDTC-IRXDYDNUSA-N 2 1 339.911 3.179 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1)C1CC1 ZINC000359290191 167117110 /nfs/dbraw/zinc/11/71/10/167117110.db2.gz RAOGKGXDCJUJNN-INIZCTEOSA-N 2 1 345.531 3.377 20 0 EGADMP CC[C@@H](C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)[NH+](CC)CC ZINC000359681328 167207954 /nfs/dbraw/zinc/20/79/54/167207954.db2.gz TWMJYHDRIHPFPX-SFHVURJKSA-N 2 1 333.520 3.134 20 0 EGADMP CCOC(=O)[C@@H](CC(C)C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000360198479 167268803 /nfs/dbraw/zinc/26/88/03/167268803.db2.gz HJQLPTWNXDESHO-LJQANCHMSA-N 2 1 347.503 3.208 20 0 EGADMP O[C@@H](C[NH2+][C@H]1CCCSc2ccc(Cl)cc21)C[NH+]1CCCC1 ZINC000360248027 167281472 /nfs/dbraw/zinc/28/14/72/167281472.db2.gz FESBPEKCJDWREV-HOCLYGCPSA-N 2 1 340.920 3.313 20 0 EGADMP CN(C)C(=O)C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000360577978 167362026 /nfs/dbraw/zinc/36/20/26/167362026.db2.gz FAXNRZIVTDDSEZ-GOSISDBHSA-N 2 1 331.504 3.059 20 0 EGADMP CC(C)[NH+]1CCC(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000360701465 167391537 /nfs/dbraw/zinc/39/15/37/167391537.db2.gz XDBAIFURTMIJHW-ICSRJNTNSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000360701465 167391540 /nfs/dbraw/zinc/39/15/40/167391540.db2.gz XDBAIFURTMIJHW-ICSRJNTNSA-N 3 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000360701465 167391542 /nfs/dbraw/zinc/39/15/42/167391542.db2.gz XDBAIFURTMIJHW-ICSRJNTNSA-N 3 1 329.532 3.359 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)cc1 ZINC000361077377 167511837 /nfs/dbraw/zinc/51/18/37/167511837.db2.gz AZBPZTNHRJTUEP-UXHICEINSA-N 2 1 343.515 3.036 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(Cl)c1 ZINC000365732873 168039665 /nfs/dbraw/zinc/03/96/65/168039665.db2.gz FNMJEPFRWSTAIP-SFHVURJKSA-N 2 1 335.923 3.249 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000365866813 168053289 /nfs/dbraw/zinc/05/32/89/168053289.db2.gz YHGBXVVWJQUCFQ-SFHVURJKSA-N 2 1 334.479 3.070 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(C(F)F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000366836504 168146533 /nfs/dbraw/zinc/14/65/33/168146533.db2.gz NITUJYBEBXYOGR-MAUKXSAKSA-N 2 1 337.458 3.082 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000366836504 168146535 /nfs/dbraw/zinc/14/65/35/168146535.db2.gz NITUJYBEBXYOGR-MAUKXSAKSA-N 2 1 337.458 3.082 20 0 EGADMP CC(C)N(C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000366884862 168152286 /nfs/dbraw/zinc/15/22/86/168152286.db2.gz OWOCBVMZBSHXPY-UHFFFAOYSA-N 2 1 343.515 3.236 20 0 EGADMP C[C@H]1C[N@@H+](Cc2csc3ccccc23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367029285 168169792 /nfs/dbraw/zinc/16/97/92/168169792.db2.gz LMVFKBVVQPEUNG-LPHOPBHVSA-N 2 1 343.540 3.359 20 0 EGADMP COc1cc(CNCc2cnc3n2CCCC3)c(SC)cc1OC ZINC000367415057 168222701 /nfs/dbraw/zinc/22/27/01/168222701.db2.gz JTTOTCJXOVMEOR-UHFFFAOYSA-N 2 1 347.484 3.248 20 0 EGADMP CCN(CC)c1ncc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000367690623 168259584 /nfs/dbraw/zinc/25/95/84/168259584.db2.gz USJIGEXHPYGNTB-INIZCTEOSA-N 2 1 336.549 3.153 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CCCO1 ZINC000368039858 168302617 /nfs/dbraw/zinc/30/26/17/168302617.db2.gz SGAVCTIKDNMBPR-ICXUMSERSA-N 2 1 338.442 3.301 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CCCO1 ZINC000368039858 168302618 /nfs/dbraw/zinc/30/26/18/168302618.db2.gz SGAVCTIKDNMBPR-ICXUMSERSA-N 2 1 338.442 3.301 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000119586450 287271760 /nfs/dbraw/zinc/27/17/60/287271760.db2.gz PLOWSPODZNVAHX-HBFSDRIKSA-N 2 1 343.515 3.190 20 0 EGADMP c1cc2c(cc1[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)C1CC1)OCCO2 ZINC000166359694 226156260 /nfs/dbraw/zinc/15/62/60/226156260.db2.gz MVYIXPSPIFCIOI-SQGPQFPESA-N 2 1 328.456 3.125 20 0 EGADMP C[NH+](C)CCCC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000123454261 222280215 /nfs/dbraw/zinc/28/02/15/222280215.db2.gz CREPQQWBVBMPQP-UHFFFAOYSA-N 2 1 328.460 3.290 20 0 EGADMP COC(=O)c1cc2cc(C[N@@H+](C)CCCn3ccnc3C)ccc2o1 ZINC000179494637 265380204 /nfs/dbraw/zinc/38/02/04/265380204.db2.gz APYZCSSOUJHGFM-UHFFFAOYSA-N 2 1 341.411 3.246 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+](C)CCCn3cc[nH+]c3C)ccc2o1 ZINC000179494637 265380207 /nfs/dbraw/zinc/38/02/07/265380207.db2.gz APYZCSSOUJHGFM-UHFFFAOYSA-N 2 1 341.411 3.246 20 0 EGADMP COC(=O)c1cc2cc(C[N@@H+](C)CCCn3cc[nH+]c3C)ccc2o1 ZINC000179494637 265380209 /nfs/dbraw/zinc/38/02/09/265380209.db2.gz APYZCSSOUJHGFM-UHFFFAOYSA-N 2 1 341.411 3.246 20 0 EGADMP Cc1ccncc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000269650997 266334077 /nfs/dbraw/zinc/33/40/77/266334077.db2.gz VGHMSEYYNHLVOS-HDICACEKSA-N 2 1 331.504 3.101 20 0 EGADMP CC[NH+]1CCN([C@@H]2CCN(c3c(C)c(C)[nH+]c4ccccc43)C2)CC1 ZINC000273372199 267029070 /nfs/dbraw/zinc/02/90/70/267029070.db2.gz RTOYRIFUZCYWIR-GOSISDBHSA-N 2 1 338.499 3.068 20 0 EGADMP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274779559 267286540 /nfs/dbraw/zinc/28/65/40/267286540.db2.gz OSRDNQDHSJNOPU-JOZSIVFUSA-N 2 1 340.511 3.444 20 0 EGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278460909 268018933 /nfs/dbraw/zinc/01/89/33/268018933.db2.gz JCMPRIULDNIWBT-OXJNMPFZSA-N 2 1 332.488 3.163 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3nn(C)cc32)CC[N@@H+]1Cc1ccccc1 ZINC000368444715 274393686 /nfs/dbraw/zinc/39/36/86/274393686.db2.gz DDNAWGOVPPECMU-IMFGXOCKSA-N 2 1 338.499 3.440 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3nn(C)cc32)CC[N@H+]1Cc1ccccc1 ZINC000368444715 274393687 /nfs/dbraw/zinc/39/36/87/274393687.db2.gz DDNAWGOVPPECMU-IMFGXOCKSA-N 2 1 338.499 3.440 20 0 EGADMP O[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246524663 275057432 /nfs/dbraw/zinc/05/74/32/275057432.db2.gz JBFZYZFZVJUQSA-ZYSHUDEJSA-N 2 1 334.891 3.322 20 0 EGADMP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246524663 275057433 /nfs/dbraw/zinc/05/74/33/275057433.db2.gz JBFZYZFZVJUQSA-ZYSHUDEJSA-N 2 1 334.891 3.322 20 0 EGADMP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246524663 275057434 /nfs/dbraw/zinc/05/74/34/275057434.db2.gz JBFZYZFZVJUQSA-ZYSHUDEJSA-N 2 1 334.891 3.322 20 0 EGADMP O[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134889048 275057660 /nfs/dbraw/zinc/05/76/60/275057660.db2.gz JBFZYZFZVJUQSA-ATZDWAIDSA-N 2 1 334.891 3.322 20 0 EGADMP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134889048 275057661 /nfs/dbraw/zinc/05/76/61/275057661.db2.gz JBFZYZFZVJUQSA-ATZDWAIDSA-N 2 1 334.891 3.322 20 0 EGADMP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134889048 275057662 /nfs/dbraw/zinc/05/76/62/275057662.db2.gz JBFZYZFZVJUQSA-ATZDWAIDSA-N 2 1 334.891 3.322 20 0 EGADMP c1ccc(-c2noc([C@H]3CCCC[N@@H+]3CC3CC[NH2+]CC3)n2)cc1 ZINC000178971943 275066567 /nfs/dbraw/zinc/06/65/67/275066567.db2.gz SSJMDABOGKEOME-QGZVFWFLSA-N 2 1 326.444 3.263 20 0 EGADMP c1cn(CCC[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000370360732 275072673 /nfs/dbraw/zinc/07/26/73/275072673.db2.gz ZXRDHVKTTBHURT-NRFANRHFSA-N 2 1 338.499 3.261 20 0 EGADMP c1cn(CCC[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000370360732 275072674 /nfs/dbraw/zinc/07/26/74/275072674.db2.gz ZXRDHVKTTBHURT-NRFANRHFSA-N 2 1 338.499 3.261 20 0 EGADMP c1cn(CCC[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000370360732 275072675 /nfs/dbraw/zinc/07/26/75/275072675.db2.gz ZXRDHVKTTBHURT-NRFANRHFSA-N 2 1 338.499 3.261 20 0 EGADMP CC(C)[C@H](O)C1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000271887339 275238754 /nfs/dbraw/zinc/23/87/54/275238754.db2.gz RAOIHFRIRFNFHL-FQEVSTJZSA-N 2 1 348.506 3.219 20 0 EGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000271895973 275239366 /nfs/dbraw/zinc/23/93/66/275239366.db2.gz FSEKNYNKVUUDLS-BWAGFHJFSA-N 2 1 336.479 3.099 20 0 EGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000271895973 275239367 /nfs/dbraw/zinc/23/93/67/275239367.db2.gz FSEKNYNKVUUDLS-BWAGFHJFSA-N 2 1 336.479 3.099 20 0 EGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000271895973 275239369 /nfs/dbraw/zinc/23/93/69/275239369.db2.gz FSEKNYNKVUUDLS-BWAGFHJFSA-N 2 1 336.479 3.099 20 0 EGADMP c1[nH+]c(C2CC[NH+](CCOc3ccccc3)CC2)n2c1CCCC2 ZINC000278756409 275271939 /nfs/dbraw/zinc/27/19/39/275271939.db2.gz BFMWYQPCDYOKJS-UHFFFAOYSA-N 2 1 325.456 3.478 20 0 EGADMP Brc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278974403 275292757 /nfs/dbraw/zinc/29/27/57/275292757.db2.gz NZEPRYJSXXNBFM-WBMJQRKESA-N 2 1 346.272 3.485 20 0 EGADMP Fc1ccc([C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)c2ccccc2)nc1 ZINC000278987102 275293719 /nfs/dbraw/zinc/29/37/19/275293719.db2.gz PQMPSJOMKLOKMZ-FOIQADDNSA-N 2 1 336.414 3.359 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCc1ncc[nH]1 ZINC000279126100 275305933 /nfs/dbraw/zinc/30/59/33/275305933.db2.gz DIWUBBVRIOHDET-INIZCTEOSA-N 2 1 340.471 3.033 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](c3ccccc3)C(C)C)C2)CC1 ZINC000279510302 275336141 /nfs/dbraw/zinc/33/61/41/275336141.db2.gz AIOJEXDUTCSCKE-NHCUHLMSSA-N 2 1 329.532 3.138 20 0 EGADMP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000281504910 275554355 /nfs/dbraw/zinc/55/43/55/275554355.db2.gz GZCNULPFGNQAIV-ZWKOTPCHSA-N 2 1 331.504 3.117 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352056452 276024821 /nfs/dbraw/zinc/02/48/21/276024821.db2.gz CNYQAMJXHWIGIO-VQTJNVASSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000286920535 276057959 /nfs/dbraw/zinc/05/79/59/276057959.db2.gz GNLWSVCDKCSDCO-HNNXBMFYSA-N 2 1 343.475 3.126 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)[C@H](C)C1 ZINC000286990833 276067603 /nfs/dbraw/zinc/06/76/03/276067603.db2.gz JQBYRJNJYWVLSF-QMMLZNLJSA-N 2 1 347.547 3.396 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(OC(C)C)cc2)N(C)C)[C@H](C)C1 ZINC000286990833 276067605 /nfs/dbraw/zinc/06/76/05/276067605.db2.gz JQBYRJNJYWVLSF-QMMLZNLJSA-N 2 1 347.547 3.396 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(OC(C)C)cc2)N(C)C)[C@H](C)C1 ZINC000286990833 276067606 /nfs/dbraw/zinc/06/76/06/276067606.db2.gz JQBYRJNJYWVLSF-QMMLZNLJSA-N 2 1 347.547 3.396 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(OC)cc2Cl)C1 ZINC000354107531 276100689 /nfs/dbraw/zinc/10/06/89/276100689.db2.gz QSYJZCUDOGRBIR-KRWDZBQOSA-N 2 1 340.895 3.281 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CCSCC2)[C@@H](C)C1 ZINC000250079201 276316219 /nfs/dbraw/zinc/31/62/19/276316219.db2.gz OXNASVFSKLZPHF-BQFCYCMXSA-N 2 1 328.566 3.245 20 0 EGADMP COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccc(-n3ccnc3)nc1)C2 ZINC000289503847 276349048 /nfs/dbraw/zinc/34/90/48/276349048.db2.gz KFJVHIGJUVUDQP-UHFFFAOYSA-N 2 1 346.434 3.323 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000354266102 276365382 /nfs/dbraw/zinc/36/53/82/276365382.db2.gz MPNIIGATFJBCLP-PMACEKPBSA-N 2 1 343.515 3.123 20 0 EGADMP COC(=O)CCCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000289707160 276381422 /nfs/dbraw/zinc/38/14/22/276381422.db2.gz GLPOVBUCFKJQQK-VAMGGRTRSA-N 2 1 344.499 3.220 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)nc2)C1 ZINC000289757936 276389376 /nfs/dbraw/zinc/38/93/76/276389376.db2.gz MWUZQDRFBMXOMF-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)nc2)C1 ZINC000289757936 276389377 /nfs/dbraw/zinc/38/93/77/276389377.db2.gz MWUZQDRFBMXOMF-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Br)nc1 ZINC000290743731 276535917 /nfs/dbraw/zinc/53/59/17/276535917.db2.gz QGMJSHCRIVZPTA-YUTCNCBUSA-N 2 1 326.282 3.368 20 0 EGADMP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000291267736 276617128 /nfs/dbraw/zinc/61/71/28/276617128.db2.gz XRUNQRCCNHKHOV-RTWAWAEBSA-N 2 1 330.516 3.487 20 0 EGADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000355378026 278253418 /nfs/dbraw/zinc/25/34/18/278253418.db2.gz YVARYYDZLKKICR-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CCC[N@H+](C(C)C)CC1)c1ccccc1 ZINC000355660610 279153366 /nfs/dbraw/zinc/15/33/66/279153366.db2.gz WBWGFNYRWRONDW-IBGZPJMESA-N 2 1 331.504 3.012 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C[C@H]2CCC[NH+](C)C2)cc1)C1CC1 ZINC000360084187 279234722 /nfs/dbraw/zinc/23/47/22/279234722.db2.gz JEFQHHKZSCOXDR-SFHVURJKSA-N 2 1 343.515 3.085 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1)C1CC1 ZINC000360084187 279234723 /nfs/dbraw/zinc/23/47/23/279234723.db2.gz JEFQHHKZSCOXDR-SFHVURJKSA-N 2 1 343.515 3.085 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1)C1CC1 ZINC000360084187 279234724 /nfs/dbraw/zinc/23/47/24/279234724.db2.gz JEFQHHKZSCOXDR-SFHVURJKSA-N 2 1 343.515 3.085 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[NH+](CC)CC ZINC000078822444 280077335 /nfs/dbraw/zinc/07/73/35/280077335.db2.gz BNWWQTLCVNCDQC-PMACEKPBSA-N 2 1 345.531 3.278 20 0 EGADMP C[C@@]1(O)CCC[N@@H+](CCCCCC[NH+]2CCC[C@](C)(O)CC2)CC1 ZINC000376437166 289208338 /nfs/dbraw/zinc/20/83/38/289208338.db2.gz ZBMXJBRLHQGGDJ-BGYRXZFFSA-N 2 1 340.552 3.021 20 0 EGADMP C[C@@]1(O)CCC[NH+](CCCCCC[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000376437166 289208345 /nfs/dbraw/zinc/20/83/45/289208345.db2.gz ZBMXJBRLHQGGDJ-BGYRXZFFSA-N 2 1 340.552 3.021 20 0 EGADMP C[C@@]1(O)CCC[NH+](CCCCCC[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000376437166 289208348 /nfs/dbraw/zinc/20/83/48/289208348.db2.gz ZBMXJBRLHQGGDJ-BGYRXZFFSA-N 2 1 340.552 3.021 20 0 EGADMP C[C@H](C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+]1CCCCCC1 ZINC000345005494 289272604 /nfs/dbraw/zinc/27/26/04/289272604.db2.gz SOTBYBCWTZIYFF-FCGDIQPGSA-N 2 1 335.536 3.115 20 0 EGADMP CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000116396404 307483507 /nfs/dbraw/zinc/48/35/07/307483507.db2.gz OREKQMWNHJCSIY-CRAIPNDOSA-N 2 1 349.519 3.368 20 0 EGADMP CC(C)(C)O[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1(C)C ZINC000414067271 309058859 /nfs/dbraw/zinc/05/88/59/309058859.db2.gz AFGORJKYVGYRCX-SJORKVTESA-N 2 1 338.536 3.203 20 0 EGADMP CCn1ccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000414212437 309067060 /nfs/dbraw/zinc/06/70/60/309067060.db2.gz RSSWVVYFERZIIJ-UHFFFAOYSA-N 2 1 326.488 3.436 20 0 EGADMP CN(C)c1[nH+]cc(CNc2ccc(CC[NH+]3CCCCC3)cc2)n1C ZINC000414314907 309072287 /nfs/dbraw/zinc/07/22/87/309072287.db2.gz LWBXOJSLKPVUCX-UHFFFAOYSA-N 2 1 341.503 3.127 20 0 EGADMP CCc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000414316262 309072499 /nfs/dbraw/zinc/07/24/99/309072499.db2.gz HVLOMJHFCSBOTF-HNNXBMFYSA-N 2 1 330.501 3.102 20 0 EGADMP CCc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000414316262 309072500 /nfs/dbraw/zinc/07/25/00/309072500.db2.gz HVLOMJHFCSBOTF-HNNXBMFYSA-N 2 1 330.501 3.102 20 0 EGADMP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000414342586 309074174 /nfs/dbraw/zinc/07/41/74/309074174.db2.gz QCDHHSQAMFEOTK-CRSSMBPESA-N 2 1 328.500 3.038 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000248556786 308005603 /nfs/dbraw/zinc/00/56/03/308005603.db2.gz IIENNQMFVKKVDF-XCDZQEORSA-N 2 1 349.563 3.122 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000248556786 308005605 /nfs/dbraw/zinc/00/56/05/308005605.db2.gz IIENNQMFVKKVDF-XCDZQEORSA-N 2 1 349.563 3.122 20 0 EGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCc2occc21 ZINC000248755919 308011066 /nfs/dbraw/zinc/01/10/66/308011066.db2.gz CQQONOPKKLVPIX-AZUAARDMSA-N 2 1 340.467 3.404 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000248824130 308012470 /nfs/dbraw/zinc/01/24/70/308012470.db2.gz JRBVBIMDUWKBAO-KZNAEPCWSA-N 2 1 348.535 3.336 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000248824130 308012472 /nfs/dbraw/zinc/01/24/72/308012472.db2.gz JRBVBIMDUWKBAO-KZNAEPCWSA-N 2 1 348.535 3.336 20 0 EGADMP FC(F)COCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248889660 308014400 /nfs/dbraw/zinc/01/44/00/308014400.db2.gz AQCAAVUVAKLEGV-RCCFBDPRSA-N 2 1 338.442 3.158 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000293054391 308094613 /nfs/dbraw/zinc/09/46/13/308094613.db2.gz UCSZKISRNVIHKZ-CQSZACIVSA-N 2 1 327.407 3.257 20 0 EGADMP COCCCOc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000293574516 308143068 /nfs/dbraw/zinc/14/30/68/308143068.db2.gz HHEACHGQFSYVKN-FQEVSTJZSA-N 2 1 332.488 3.020 20 0 EGADMP COCCCOc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000293574516 308143069 /nfs/dbraw/zinc/14/30/69/308143069.db2.gz HHEACHGQFSYVKN-FQEVSTJZSA-N 2 1 332.488 3.020 20 0 EGADMP COCCCOc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293574516 308143071 /nfs/dbraw/zinc/14/30/71/308143071.db2.gz HHEACHGQFSYVKN-FQEVSTJZSA-N 2 1 332.488 3.020 20 0 EGADMP COCCCOc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293574516 308143073 /nfs/dbraw/zinc/14/30/73/308143073.db2.gz HHEACHGQFSYVKN-FQEVSTJZSA-N 2 1 332.488 3.020 20 0 EGADMP C[C@@H]1CN(C(=O)c2cccc(Oc3ccncc3)c2)C[C@H](C)[N@@H+]1C ZINC000294028317 308184214 /nfs/dbraw/zinc/18/42/14/308184214.db2.gz RGUOWPOWYAJSRA-GASCZTMLSA-N 2 1 325.412 3.039 20 0 EGADMP C[C@H](CCO)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000295149331 308296816 /nfs/dbraw/zinc/29/68/16/308296816.db2.gz QWHCHDHJXNIGNN-ZIBCJSCZSA-N 2 1 330.516 3.285 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc(F)ncc1F ZINC000295588529 308341240 /nfs/dbraw/zinc/34/12/40/308341240.db2.gz DZRCYDHUINBKCQ-KBXCAEBGSA-N 2 1 331.410 3.360 20 0 EGADMP COc1c(Br)cccc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000414657888 309094069 /nfs/dbraw/zinc/09/40/69/309094069.db2.gz IGTMFMIJVMVBMV-AWEZNQCLSA-N 2 1 329.282 3.263 20 0 EGADMP COc1c(Br)cccc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000414657888 309094070 /nfs/dbraw/zinc/09/40/70/309094070.db2.gz IGTMFMIJVMVBMV-AWEZNQCLSA-N 2 1 329.282 3.263 20 0 EGADMP CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414695704 309095871 /nfs/dbraw/zinc/09/58/71/309095871.db2.gz OMBUDNPAMUMLMN-CABCVRRESA-N 2 1 337.895 3.379 20 0 EGADMP C[C@@H](C[NH3+])CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414717625 309097257 /nfs/dbraw/zinc/09/72/57/309097257.db2.gz UPHPOIWRZAOVLE-HNNXBMFYSA-N 2 1 332.492 3.167 20 0 EGADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)CC[NH2+]1 ZINC000414717933 309097288 /nfs/dbraw/zinc/09/72/88/309097288.db2.gz ZXBHTXHVLBNLIX-CVEARBPZSA-N 2 1 344.478 3.468 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)CC[NH2+]1 ZINC000414715670 309097069 /nfs/dbraw/zinc/09/70/69/309097069.db2.gz ZBJGNEKGCVHHOJ-KEYYUXOJSA-N 2 1 340.414 3.049 20 0 EGADMP C[C@H]1C[C@H](C[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)CC[NH2+]1 ZINC000414717936 309097153 /nfs/dbraw/zinc/09/71/53/309097153.db2.gz ZXBHTXHVLBNLIX-JKSUJKDBSA-N 2 1 344.478 3.468 20 0 EGADMP CCC[NH2+][C@H](C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000296612725 308447407 /nfs/dbraw/zinc/44/74/07/308447407.db2.gz ZJBINJDYMBWDBN-OAHLLOKOSA-N 2 1 328.460 3.381 20 0 EGADMP CCCC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)c1ccccc1 ZINC000414718896 309097337 /nfs/dbraw/zinc/09/73/37/309097337.db2.gz ZWVFPMOKRVYBPK-MSOLQXFVSA-N 2 1 331.504 3.047 20 0 EGADMP C[C@H]1C[C@H](C[N@@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000414757594 309099068 /nfs/dbraw/zinc/09/90/68/309099068.db2.gz SUYIVOBMJWXALV-DOTOQJQBSA-N 2 1 346.906 3.464 20 0 EGADMP CCCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OCC ZINC000414768096 309099687 /nfs/dbraw/zinc/09/96/87/309099687.db2.gz LEILYIABRFDSAZ-HDICACEKSA-N 2 1 332.488 3.306 20 0 EGADMP Cc1cc(F)c(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(Cl)c1 ZINC000414769813 309099823 /nfs/dbraw/zinc/09/98/23/309099823.db2.gz KUUHONMVNGNEKH-SJORKVTESA-N 2 1 326.843 3.116 20 0 EGADMP Brc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000414775297 309100317 /nfs/dbraw/zinc/10/03/17/309100317.db2.gz GLBHKBMIRKQFBQ-QWHCGFSZSA-N 2 1 329.307 3.332 20 0 EGADMP Cc1cc2cc(C[N@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)oc2cc1C ZINC000414784216 309100942 /nfs/dbraw/zinc/10/09/42/309100942.db2.gz QWXHQFYWGQBIHS-QGZVFWFLSA-N 2 1 328.456 3.237 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccnn2C)c1 ZINC000414786186 309101103 /nfs/dbraw/zinc/10/11/03/309101103.db2.gz UGUXJOMKCXJIKJ-MSOLQXFVSA-N 2 1 338.499 3.217 20 0 EGADMP COc1ccc(C[C@H](C)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1F ZINC000414788130 309101402 /nfs/dbraw/zinc/10/14/02/309101402.db2.gz WIBINTIQPVTFIF-CGTJXYLNSA-N 2 1 334.479 3.334 20 0 EGADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CC2)ccc1OCc1ccccc1 ZINC000414795757 309101960 /nfs/dbraw/zinc/10/19/60/309101960.db2.gz HCQVASDZNOZDBD-GOSISDBHSA-N 2 1 326.440 3.101 20 0 EGADMP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H](C[NH3+])C3CC3)cc2)c1 ZINC000414797344 309102174 /nfs/dbraw/zinc/10/21/74/309102174.db2.gz INOSTIVYZMFTIS-FQEVSTJZSA-N 2 1 342.439 3.323 20 0 EGADMP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000298424322 308613222 /nfs/dbraw/zinc/61/32/22/308613222.db2.gz MRQAEUZLARQHNJ-MRXNPFEDSA-N 2 1 349.906 3.144 20 0 EGADMP Cn1cc(C[NH2+]CC2([NH3+])CCCCC2)c(-c2ccccc2Cl)n1 ZINC000414839881 309104785 /nfs/dbraw/zinc/10/47/85/309104785.db2.gz JVWPEXQWKKVJOA-UHFFFAOYSA-N 2 1 332.879 3.492 20 0 EGADMP c1ccc2nc(N3CCCCC3)c(C[NH2+]C[C@H]3CCC[NH2+]C3)cc2c1 ZINC000414841913 309104977 /nfs/dbraw/zinc/10/49/77/309104977.db2.gz ZRLQWAHSCBPFGU-KRWDZBQOSA-N 2 1 338.499 3.314 20 0 EGADMP CCCOc1c(Cl)cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1OC ZINC000414917107 309109094 /nfs/dbraw/zinc/10/90/94/309109094.db2.gz RARJTGSDPKNWDS-CQSZACIVSA-N 2 1 326.868 3.369 20 0 EGADMP COc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1Br ZINC000453607048 310284168 /nfs/dbraw/zinc/28/41/68/310284168.db2.gz WWICJXVBMCHHMU-UHFFFAOYSA-N 2 1 341.293 3.422 20 0 EGADMP c1cc(C[NH+]2CCCCC2)ccc1CSCC[NH+]1CCOCC1 ZINC000412987591 309010956 /nfs/dbraw/zinc/01/09/56/309010956.db2.gz JUGLULKFGXVLOB-UHFFFAOYSA-N 2 1 334.529 3.238 20 0 EGADMP CC(C)N1CC[NH+](CCCSCC[NH+](C(C)C)C(C)C)CC1 ZINC000413003121 309011650 /nfs/dbraw/zinc/01/16/50/309011650.db2.gz UBXDGLXEIKVUAQ-UHFFFAOYSA-N 2 1 329.598 3.255 20 0 EGADMP [NH3+]C1(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCCC1 ZINC000414849007 309105421 /nfs/dbraw/zinc/10/54/21/309105421.db2.gz WXSASFXJJHKIFU-XUVXKRRUSA-N 2 1 327.516 3.148 20 0 EGADMP [NH3+][C@H](C[NH2+]Cc1ccc(Br)c(Br)c1)C1CC1 ZINC000414892372 309107781 /nfs/dbraw/zinc/10/77/81/309107781.db2.gz JBIDARNYPKLXKN-GFCCVEGCSA-N 2 1 348.082 3.039 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1OC(C)C ZINC000415038660 309115926 /nfs/dbraw/zinc/11/59/26/309115926.db2.gz IDQAOSHOBCWFFO-ZWKOTPCHSA-N 2 1 332.488 3.446 20 0 EGADMP C[N@@H+](Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1)C[C@@H](O)C[NH3+] ZINC000415070265 309118094 /nfs/dbraw/zinc/11/80/94/309118094.db2.gz QIDADNLFMCVSHL-ZDUSSCGKSA-N 2 1 344.402 3.185 20 0 EGADMP C[N@H+](Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1)C[C@@H](O)C[NH3+] ZINC000415070265 309118095 /nfs/dbraw/zinc/11/80/95/309118095.db2.gz QIDADNLFMCVSHL-ZDUSSCGKSA-N 2 1 344.402 3.185 20 0 EGADMP [NH3+]C[C@@H](NC1CC[NH+](Cc2ccccc2Cl)CC1)C1CCCC1 ZINC000415068182 309118137 /nfs/dbraw/zinc/11/81/37/309118137.db2.gz QLUPVOSQGWNGMW-LJQANCHMSA-N 2 1 335.923 3.412 20 0 EGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1Cl ZINC000415073073 309118344 /nfs/dbraw/zinc/11/83/44/309118344.db2.gz YZOYDMPFMKTIBX-DYVFJYSZSA-N 2 1 337.895 3.473 20 0 EGADMP COc1ccc(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1F ZINC000415079394 309118867 /nfs/dbraw/zinc/11/88/67/309118867.db2.gz KAULOTDOWFKGKM-MJGOQNOKSA-N 2 1 328.431 3.460 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415120422 309121762 /nfs/dbraw/zinc/12/17/62/309121762.db2.gz FZMSCFUDIWWGDX-IUODEOHRSA-N 2 1 348.441 3.184 20 0 EGADMP C[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000415899849 309146943 /nfs/dbraw/zinc/14/69/43/309146943.db2.gz KNLIBVBEDPUYJL-HNNXBMFYSA-N 2 1 332.492 3.038 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(C[NH2+]C)c2)C1 ZINC000415922830 309148842 /nfs/dbraw/zinc/14/88/42/309148842.db2.gz UUPLCBNJLKKIFB-INIZCTEOSA-N 2 1 346.519 3.428 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000415928938 309149233 /nfs/dbraw/zinc/14/92/33/309149233.db2.gz GJNNILQAYNWADN-MRXNPFEDSA-N 2 1 346.519 3.428 20 0 EGADMP CCn1cncc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000417887970 309227039 /nfs/dbraw/zinc/22/70/39/309227039.db2.gz ZFVYQNBDKJBPED-KRWDZBQOSA-N 2 1 326.488 3.425 20 0 EGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCCCC[NH3+])c2c1C ZINC000420236782 309277698 /nfs/dbraw/zinc/27/76/98/309277698.db2.gz PVOXFCPJEUYUDF-UHFFFAOYSA-N 2 1 333.505 3.055 20 0 EGADMP Brc1ccc2c(c1)[nH+]ccc2N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420270420 309278830 /nfs/dbraw/zinc/27/88/30/309278830.db2.gz YUZZXJUAYDUDNA-NWDGAFQWSA-N 2 1 332.245 3.043 20 0 EGADMP Brc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420270422 309278861 /nfs/dbraw/zinc/27/88/61/309278861.db2.gz YUZZXJUAYDUDNA-VXGBXAGGSA-N 2 1 332.245 3.043 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420297272 309279877 /nfs/dbraw/zinc/27/98/77/309279877.db2.gz YKTGBWSIZCMXQD-STQMWFEESA-N 2 1 332.469 3.247 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420297272 309279878 /nfs/dbraw/zinc/27/98/78/309279878.db2.gz YKTGBWSIZCMXQD-STQMWFEESA-N 2 1 332.469 3.247 20 0 EGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420298920 309280160 /nfs/dbraw/zinc/28/01/60/309280160.db2.gz AGCBTSYDCXBHCT-WBAXXEDZSA-N 2 1 342.874 3.275 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000420301266 309280393 /nfs/dbraw/zinc/28/03/93/309280393.db2.gz IOXRLZKDHARCME-ZCNNSNEGSA-N 2 1 344.886 3.408 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000420301266 309280394 /nfs/dbraw/zinc/28/03/94/309280394.db2.gz IOXRLZKDHARCME-ZCNNSNEGSA-N 2 1 344.886 3.408 20 0 EGADMP c1csc(C[N@H+](CC[C@H]2CCCCO2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000420303292 309280541 /nfs/dbraw/zinc/28/05/41/309280541.db2.gz CRBGSKMKLDAISR-HZPDHXFCSA-N 2 1 335.517 3.046 20 0 EGADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000420306855 309280753 /nfs/dbraw/zinc/28/07/53/309280753.db2.gz BCIXKCRSFMLIFW-KBXCAEBGSA-N 2 1 330.863 3.151 20 0 EGADMP Cn1ccnc1C[N@@H+](CCCCC(F)(F)F)[C@@H]1CC12CC[NH2+]CC2 ZINC000420310609 309280882 /nfs/dbraw/zinc/28/08/82/309280882.db2.gz MMLFRKKACDICRU-CQSZACIVSA-N 2 1 344.425 3.097 20 0 EGADMP Cc1noc(C)c1C[NH+](CC[C@H]1CCC[NH2+]C1)Cc1c(C)noc1C ZINC000420313574 309281143 /nfs/dbraw/zinc/28/11/43/309281143.db2.gz YBDBZFJCBZCHOE-QGZVFWFLSA-N 2 1 346.475 3.288 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cncc(OCc4ccccc4)c3)C[C@@H]21 ZINC000420317630 309281542 /nfs/dbraw/zinc/28/15/42/309281542.db2.gz ZRARFGUKRJHVSR-SESVDKBCSA-N 2 1 337.467 3.220 20 0 EGADMP Cc1ccc(-c2cc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000420321258 309281975 /nfs/dbraw/zinc/28/19/75/309281975.db2.gz COWOYUJLAYVRPZ-ZWKOTPCHSA-N 2 1 325.456 3.472 20 0 EGADMP C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321218 309282083 /nfs/dbraw/zinc/28/20/83/309282083.db2.gz CNZLNWIBAPQNGP-BPQIPLTHSA-N 2 1 340.471 3.043 20 0 EGADMP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420322007 309282211 /nfs/dbraw/zinc/28/22/11/309282211.db2.gz DPRRSRKGNYAGHI-JYJNAYRXSA-N 2 1 347.528 3.057 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420334319 309282792 /nfs/dbraw/zinc/28/27/92/309282792.db2.gz GDSKIECXPQEZCI-BZSNNMDCSA-N 2 1 343.515 3.459 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340651 309283328 /nfs/dbraw/zinc/28/33/28/309283328.db2.gz NBKQFLYEIDBEJU-DLBZAZTESA-N 2 1 329.488 3.070 20 0 EGADMP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345769 309283383 /nfs/dbraw/zinc/28/33/83/309283383.db2.gz WOQHCZBLUBCYQB-IRXDYDNUSA-N 2 1 343.515 3.244 20 0 EGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000420377001 309284962 /nfs/dbraw/zinc/28/49/62/309284962.db2.gz KKRSVOFKUHUTQT-KDOFPFPSSA-N 2 1 347.484 3.121 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420928806 309301974 /nfs/dbraw/zinc/30/19/74/309301974.db2.gz PVHVMNVUSBKURB-WBVHZDCISA-N 2 1 335.492 3.414 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420928806 309301975 /nfs/dbraw/zinc/30/19/75/309301975.db2.gz PVHVMNVUSBKURB-WBVHZDCISA-N 2 1 335.492 3.414 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C/C=C\c3ccccc3)CC2)CC1 ZINC000421004019 309307210 /nfs/dbraw/zinc/30/72/10/309307210.db2.gz HQUGIMPUGUBUIQ-POHAHGRESA-N 2 1 327.516 3.192 20 0 EGADMP CCCN1C[C@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1=O ZINC000421356959 309319991 /nfs/dbraw/zinc/31/99/91/309319991.db2.gz YYIDJVRJUPYHDD-WBVHZDCISA-N 2 1 340.471 3.090 20 0 EGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000421838806 309342663 /nfs/dbraw/zinc/34/26/63/309342663.db2.gz VQQDEKIVXGXNHM-RHSMWYFYSA-N 2 1 342.886 3.237 20 0 EGADMP COC1([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCCC1 ZINC000421842492 309342778 /nfs/dbraw/zinc/34/27/78/309342778.db2.gz OAGGTYCWXQZMML-FXAWDEMLSA-N 2 1 346.515 3.081 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421849246 309343243 /nfs/dbraw/zinc/34/32/43/309343243.db2.gz BMECSZOIRSEYTD-PZJWPPBQSA-N 2 1 335.495 3.441 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC(C)(C)CC[NH3+])c1 ZINC000422557138 309361510 /nfs/dbraw/zinc/36/15/10/309361510.db2.gz IXKLPFHEPSNVIU-UHFFFAOYSA-N 2 1 343.475 3.304 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422558913 309361547 /nfs/dbraw/zinc/36/15/47/309361547.db2.gz BGTCPGIGVVTXBE-FMKPAKJESA-N 2 1 330.451 3.125 20 0 EGADMP CCN(C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)[C@@H](C)c1ccc(F)cc1 ZINC000422633894 309362931 /nfs/dbraw/zinc/36/29/31/309362931.db2.gz JARRLHDEFCPOPU-CBZIJGRNSA-N 2 1 349.494 3.040 20 0 EGADMP CCN(C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)[C@@H](C)c1ccc(F)cc1 ZINC000422633894 309362932 /nfs/dbraw/zinc/36/29/32/309362932.db2.gz JARRLHDEFCPOPU-CBZIJGRNSA-N 2 1 349.494 3.040 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C[C@H]1C[NH3+] ZINC000422635971 309363294 /nfs/dbraw/zinc/36/32/94/309363294.db2.gz MGOBCLROCVPKTH-VNHYZAJKSA-N 2 1 348.878 3.238 20 0 EGADMP C[C@@H]([NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000422711180 309364164 /nfs/dbraw/zinc/36/41/64/309364164.db2.gz GTHKFUSUPVHHLG-AUUYWEPGSA-N 2 1 338.430 3.114 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc(NC(N)=O)cc1 ZINC000422730236 309365513 /nfs/dbraw/zinc/36/55/13/309365513.db2.gz LVAPUFMLWHKXLP-GDIGMMSISA-N 2 1 338.455 3.321 20 0 EGADMP CCOc1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])ccc1OC ZINC000422729177 309365573 /nfs/dbraw/zinc/36/55/73/309365573.db2.gz KCSYCQCZFZMENL-CRAIPNDOSA-N 2 1 328.456 3.142 20 0 EGADMP CC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422812277 309369708 /nfs/dbraw/zinc/36/97/08/309369708.db2.gz WCZHHEPLUQTJOU-CLAROIROSA-N 2 1 341.543 3.334 20 0 EGADMP CC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422812277 309369709 /nfs/dbraw/zinc/36/97/09/309369709.db2.gz WCZHHEPLUQTJOU-CLAROIROSA-N 2 1 341.543 3.334 20 0 EGADMP c1cc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc(C[NH+]2CCCC2)c1 ZINC000422812275 309369840 /nfs/dbraw/zinc/36/98/40/309369840.db2.gz WCALMHXBEJGNNV-QHAWAJNXSA-N 2 1 327.516 3.293 20 0 EGADMP c1cnn(-c2ccc(CC[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)cc2)c1 ZINC000422825949 309370463 /nfs/dbraw/zinc/37/04/63/309370463.db2.gz QFRUUCRYKORCMV-UNMCSNQZSA-N 2 1 346.478 3.498 20 0 EGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)CC1 ZINC000422841882 309371328 /nfs/dbraw/zinc/37/13/28/309371328.db2.gz XARKDQAGEKJLNL-WIYYLYMNSA-N 2 1 331.548 3.293 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422872532 309373104 /nfs/dbraw/zinc/37/31/04/309373104.db2.gz HMMUVKCSPJDRBG-GPHNJDIKSA-N 2 1 337.511 3.198 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422881917 309373760 /nfs/dbraw/zinc/37/37/60/309373760.db2.gz RFDGCKGBGDEELK-PXNSSMCTSA-N 2 1 338.499 3.120 20 0 EGADMP CCCNC(=O)c1cccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000422893896 309374560 /nfs/dbraw/zinc/37/45/60/309374560.db2.gz RJHWAEUPONNBRT-VQIMIIECSA-N 2 1 331.504 3.227 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422891665 309374625 /nfs/dbraw/zinc/37/46/25/309374625.db2.gz LGXMWQSDIHBUEU-QZTJIDSGSA-N 2 1 327.403 3.047 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1cccc(OCC[NH+](C)C)c1 ZINC000422898120 309374940 /nfs/dbraw/zinc/37/49/40/309374940.db2.gz LFKDDBMLMFCUHZ-IEBWSBKVSA-N 2 1 333.520 3.027 20 0 EGADMP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422900467 309375072 /nfs/dbraw/zinc/37/50/72/309375072.db2.gz JHSDGNOYDFFTOT-DLBZAZTESA-N 2 1 346.519 3.127 20 0 EGADMP C[C@@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)[C@@H]1CCCC[NH2+]1 ZINC000422953067 309377918 /nfs/dbraw/zinc/37/79/18/309377918.db2.gz CWBXULFEBQLNJL-ZBFHGGJFSA-N 2 1 330.501 3.258 20 0 EGADMP COc1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)O[C@@H](C)C2 ZINC000422963929 309378394 /nfs/dbraw/zinc/37/83/94/309378394.db2.gz HITAEVDTARYVCK-HNONPPJISA-N 2 1 330.472 3.029 20 0 EGADMP CC1CC[NH+](Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422967303 309378759 /nfs/dbraw/zinc/37/87/59/309378759.db2.gz OWDURXTXOVBOTK-WCRBZPEASA-N 2 1 327.516 3.291 20 0 EGADMP c1cnc(OC2CCCC2)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422969200 309378957 /nfs/dbraw/zinc/37/89/57/309378957.db2.gz ZBWWOGVVJMIIPK-IPMKNSEASA-N 2 1 329.488 3.413 20 0 EGADMP c1cc(-c2ccccc2)oc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422973173 309379112 /nfs/dbraw/zinc/37/91/12/309379112.db2.gz NUCYJGVQKDMDOH-GUDVDZBRSA-N 2 1 326.440 3.193 20 0 EGADMP COc1cccc(COCC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000423003021 309380308 /nfs/dbraw/zinc/38/03/08/309380308.db2.gz KNONXZZNMZPZNV-TZIWHRDSSA-N 2 1 340.467 3.295 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423003012 309380401 /nfs/dbraw/zinc/38/04/01/309380401.db2.gz KNKORODQQWWIMV-QIJZPMMNSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCN1 ZINC000423003012 309380402 /nfs/dbraw/zinc/38/04/02/309380402.db2.gz KNKORODQQWWIMV-QIJZPMMNSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCN1 ZINC000423003012 309380403 /nfs/dbraw/zinc/38/04/03/309380403.db2.gz KNKORODQQWWIMV-QIJZPMMNSA-N 2 1 329.532 3.407 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)CC[NH2+]2)cc1 ZINC000423030014 309381789 /nfs/dbraw/zinc/38/17/89/309381789.db2.gz SOAXOICXJNIXIF-OBKDMQGPSA-N 2 1 326.484 3.417 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423037141 309382315 /nfs/dbraw/zinc/38/23/15/309382315.db2.gz BEFQYTBDCUBGTB-DQYPLSBCSA-N 2 1 325.859 3.178 20 0 EGADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000423057948 309383629 /nfs/dbraw/zinc/38/36/29/309383629.db2.gz BABKWHJNIJFCLF-HZMVEIRTSA-N 2 1 342.405 3.079 20 0 EGADMP CC[C@H]([NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)[C@@H]1CCC[NH2+]1 ZINC000423077934 309384803 /nfs/dbraw/zinc/38/48/03/309384803.db2.gz UTTUREALHJHBOP-HAGHYFMRSA-N 2 1 334.479 3.020 20 0 EGADMP Fc1cccc(-n2cccn2)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423154265 309388551 /nfs/dbraw/zinc/38/85/51/309388551.db2.gz JEAVANADUOTATA-ZTFGCOKTSA-N 2 1 328.435 3.022 20 0 EGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423158936 309388667 /nfs/dbraw/zinc/38/86/67/309388667.db2.gz XLLOJJYFMVTQRZ-FZKQIMNGSA-N 2 1 336.838 3.406 20 0 EGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423274301 309393597 /nfs/dbraw/zinc/39/35/97/309393597.db2.gz LUNJRWCQHGRFGC-ZIBCJSCZSA-N 3 1 329.532 3.122 20 0 EGADMP C[NH2+]C[C@H](C)CN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423274301 309393598 /nfs/dbraw/zinc/39/35/98/309393598.db2.gz LUNJRWCQHGRFGC-ZIBCJSCZSA-N 2 1 329.532 3.122 20 0 EGADMP C[NH2+]C[C@H](C)CN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423274301 309393599 /nfs/dbraw/zinc/39/35/99/309393599.db2.gz LUNJRWCQHGRFGC-ZIBCJSCZSA-N 2 1 329.532 3.122 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423294207 309394334 /nfs/dbraw/zinc/39/43/34/309394334.db2.gz BIPPKZDUMJVAEU-HOTGVXAUSA-N 2 1 325.294 3.414 20 0 EGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)CCC(F)(F)F)cc1 ZINC000423335983 309395703 /nfs/dbraw/zinc/39/57/03/309395703.db2.gz QGAGACWYNCPLCW-UHOFOFEASA-N 2 1 330.394 3.461 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CC2(C[NH3+])CC2)c1 ZINC000423341533 309396141 /nfs/dbraw/zinc/39/61/41/309396141.db2.gz YCLAEUSTKPMUJC-UHFFFAOYSA-N 2 1 326.444 3.122 20 0 EGADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000423340779 309396184 /nfs/dbraw/zinc/39/61/84/309396184.db2.gz UAPPKYWZIVBSNN-UWVAXJGDSA-N 2 1 343.515 3.065 20 0 EGADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000423340777 309396206 /nfs/dbraw/zinc/39/62/06/309396206.db2.gz UAPPKYWZIVBSNN-HLIPFELVSA-N 2 1 343.515 3.065 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CCCC[C@@H]([NH2+]CC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423351067 309396676 /nfs/dbraw/zinc/39/66/76/309396676.db2.gz HKAHRHBTSIJWEK-YPAWHYETSA-N 3 1 339.527 3.187 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1I ZINC000423391149 309398301 /nfs/dbraw/zinc/39/83/01/309398301.db2.gz PKFZSIIYKMCWMT-SDDRHHMPSA-N 2 1 344.240 3.212 20 0 EGADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000423417833 309399556 /nfs/dbraw/zinc/39/95/56/309399556.db2.gz TVOARNUDWCGDJE-RBUKOAKNSA-N 2 1 343.515 3.093 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423416701 309399568 /nfs/dbraw/zinc/39/95/68/309399568.db2.gz DETODHZSQHOLAH-IWFBPKFRSA-N 3 1 329.532 3.252 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423416701 309399569 /nfs/dbraw/zinc/39/95/69/309399569.db2.gz DETODHZSQHOLAH-IWFBPKFRSA-N 2 1 329.532 3.252 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423416699 309399571 /nfs/dbraw/zinc/39/95/71/309399571.db2.gz DETODHZSQHOLAH-ANTGDGSKSA-N 3 1 329.532 3.252 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423416699 309399572 /nfs/dbraw/zinc/39/95/72/309399572.db2.gz DETODHZSQHOLAH-ANTGDGSKSA-N 2 1 329.532 3.252 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449027383 310030557 /nfs/dbraw/zinc/03/05/57/310030557.db2.gz IAYKRYYBAXTUDI-INIZCTEOSA-N 2 1 344.478 3.390 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449027383 310030558 /nfs/dbraw/zinc/03/05/58/310030558.db2.gz IAYKRYYBAXTUDI-INIZCTEOSA-N 2 1 344.478 3.390 20 0 EGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)OCCCCO4)CC[C@@H]21 ZINC000449049563 310033104 /nfs/dbraw/zinc/03/31/04/310033104.db2.gz RVHLAQIFSUFBDT-ROUUACIJSA-N 2 1 330.472 3.154 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)OCCCCO4)CC[C@@H]21 ZINC000449049563 310033105 /nfs/dbraw/zinc/03/31/05/310033105.db2.gz RVHLAQIFSUFBDT-ROUUACIJSA-N 2 1 330.472 3.154 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4c(c3)OCCCCO4)CC[C@@H]21 ZINC000449049563 310033106 /nfs/dbraw/zinc/03/31/06/310033106.db2.gz RVHLAQIFSUFBDT-ROUUACIJSA-N 2 1 330.472 3.154 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4c(c3)OCCCCO4)CC[C@@H]21 ZINC000449049563 310033107 /nfs/dbraw/zinc/03/31/07/310033107.db2.gz RVHLAQIFSUFBDT-ROUUACIJSA-N 2 1 330.472 3.154 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000449092975 310036503 /nfs/dbraw/zinc/03/65/03/310036503.db2.gz NOLKPHANWKUDAD-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000449092975 310036504 /nfs/dbraw/zinc/03/65/04/310036504.db2.gz NOLKPHANWKUDAD-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP COc1cc(F)cc(C[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)c1 ZINC000449163608 310041451 /nfs/dbraw/zinc/04/14/51/310041451.db2.gz MXUPBCHPMVQSOM-UHFFFAOYSA-N 2 1 329.419 3.296 20 0 EGADMP Cc1ncc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c(=O)[nH]1 ZINC000449231680 310046431 /nfs/dbraw/zinc/04/64/31/310046431.db2.gz FLZPUALZQLYQJW-UHFFFAOYSA-N 2 1 334.508 3.259 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc3ccoc32)C1 ZINC000449236720 310046799 /nfs/dbraw/zinc/04/67/99/310046799.db2.gz ZDLPPAZJRSZJPF-FQEVSTJZSA-N 2 1 336.435 3.289 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCC(OC3CCCC3)CC2)CCCO1 ZINC000449280753 310049708 /nfs/dbraw/zinc/04/97/08/310049708.db2.gz BFJHLFZAAMCXAS-PGYGNJIDSA-N 2 1 338.536 3.347 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCC(OC3CCCC3)CC2)CCCO1 ZINC000449280753 310049709 /nfs/dbraw/zinc/04/97/09/310049709.db2.gz BFJHLFZAAMCXAS-PGYGNJIDSA-N 2 1 338.536 3.347 20 0 EGADMP CCn1nnc(C)c1C[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000449323704 310053682 /nfs/dbraw/zinc/05/36/82/310053682.db2.gz AQYNPROTTPQWHJ-UHFFFAOYSA-N 2 1 335.540 3.186 20 0 EGADMP CC(C)(CO)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000449409463 310059524 /nfs/dbraw/zinc/05/95/24/310059524.db2.gz UASMZDJDADBOCU-XUVXKRRUSA-N 2 1 330.516 3.285 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H]3[C@@H]3CCC[C@H]3O)sc2C1 ZINC000449465359 310064363 /nfs/dbraw/zinc/06/43/63/310064363.db2.gz CLASMGCRHAEYAI-USXIJHARSA-N 2 1 349.544 3.035 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H]3[C@@H]3CCC[C@H]3O)sc2C1 ZINC000449465359 310064364 /nfs/dbraw/zinc/06/43/64/310064364.db2.gz CLASMGCRHAEYAI-USXIJHARSA-N 2 1 349.544 3.035 20 0 EGADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCC[C@H]3O)sc2C1 ZINC000449465359 310064365 /nfs/dbraw/zinc/06/43/65/310064365.db2.gz CLASMGCRHAEYAI-USXIJHARSA-N 2 1 349.544 3.035 20 0 EGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@H]3[C@@H]3CCC[C@H]3O)sc2C1 ZINC000449465359 310064366 /nfs/dbraw/zinc/06/43/66/310064366.db2.gz CLASMGCRHAEYAI-USXIJHARSA-N 2 1 349.544 3.035 20 0 EGADMP CO[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000449499865 310067187 /nfs/dbraw/zinc/06/71/87/310067187.db2.gz MKVCAKPSTGMTAN-UWJYYQICSA-N 2 1 345.531 3.074 20 0 EGADMP CC(C)(O)C(C)(C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449727475 310082742 /nfs/dbraw/zinc/08/27/42/310082742.db2.gz PZSKZDGJRXRXLL-UHFFFAOYSA-N 2 1 336.495 3.219 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CCC1 ZINC000449738988 310083423 /nfs/dbraw/zinc/08/34/23/310083423.db2.gz HRRPJBISWQDTDP-DOIPELPJSA-N 2 1 328.500 3.038 20 0 EGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]2CCCC2(C)C)c1C ZINC000449781761 310086881 /nfs/dbraw/zinc/08/68/81/310086881.db2.gz JMPHJWCJBIEHDR-MRXNPFEDSA-N 2 1 331.504 3.485 20 0 EGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[N@H+]2CCCC2(C)C)c1C ZINC000449781761 310086882 /nfs/dbraw/zinc/08/68/82/310086882.db2.gz JMPHJWCJBIEHDR-MRXNPFEDSA-N 2 1 331.504 3.485 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000449816594 310088878 /nfs/dbraw/zinc/08/88/78/310088878.db2.gz YMOGCOCVOAXEMR-IEBWSBKVSA-N 2 1 337.552 3.410 20 0 EGADMP CCC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000449832998 310089647 /nfs/dbraw/zinc/08/96/47/310089647.db2.gz FITRVKLOCIUDNG-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451302707 310170541 /nfs/dbraw/zinc/17/05/41/310170541.db2.gz FFFVBMFTTWZRMZ-MRXNPFEDSA-N 2 1 341.377 3.314 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451910135 310203237 /nfs/dbraw/zinc/20/32/37/310203237.db2.gz MANIAIQNEFZPGY-MRXNPFEDSA-N 2 1 342.270 3.386 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)CO2 ZINC000453058719 310254805 /nfs/dbraw/zinc/25/48/05/310254805.db2.gz LLTUPBACBBWSGM-FUHWJXTLSA-N 2 1 332.488 3.243 20 0 EGADMP Cn1ccnc1[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000453107596 310258314 /nfs/dbraw/zinc/25/83/14/310258314.db2.gz LLOSOTGTUAREBW-SFHVURJKSA-N 2 1 346.906 3.484 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCN(C4CC4)C3)[C@H]3CCC[C@H]32)cc1 ZINC000453110566 310258686 /nfs/dbraw/zinc/25/86/86/310258686.db2.gz QKBPHSQRUVJJQV-PSWRPDDJSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH+](C4CC4)C3)[C@H]3CCC[C@H]32)cc1 ZINC000453110566 310258687 /nfs/dbraw/zinc/25/86/87/310258687.db2.gz QKBPHSQRUVJJQV-PSWRPDDJSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH+](C4CC4)C3)[C@H]3CCC[C@H]32)cc1 ZINC000453110566 310258688 /nfs/dbraw/zinc/25/86/88/310258688.db2.gz QKBPHSQRUVJJQV-PSWRPDDJSA-N 2 1 339.527 3.256 20 0 EGADMP O[C@]1(C[NH2+][C@H](C2CC2)C2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000453113464 310258837 /nfs/dbraw/zinc/25/88/37/310258837.db2.gz DZXQTXFJRANCJO-SFTDATJTSA-N 2 1 328.500 3.182 20 0 EGADMP O[C@]1(C[NH2+][C@H](C2CC2)C2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000453113464 310258838 /nfs/dbraw/zinc/25/88/38/310258838.db2.gz DZXQTXFJRANCJO-SFTDATJTSA-N 2 1 328.500 3.182 20 0 EGADMP OCC1(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000453335680 310271614 /nfs/dbraw/zinc/27/16/14/310271614.db2.gz IXRHTBKFTXHMPQ-PCCBWWKXSA-N 2 1 342.527 3.429 20 0 EGADMP Cn1cc([C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2cccc(F)c2)cn1 ZINC000453393217 310274387 /nfs/dbraw/zinc/27/43/87/310274387.db2.gz FOVQBLHSHJEVCJ-IBGZPJMESA-N 2 1 330.451 3.113 20 0 EGADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455912347 310382027 /nfs/dbraw/zinc/38/20/27/310382027.db2.gz JEWIJWGOOBZKMB-RBUKOAKNSA-N 2 1 344.503 3.039 20 0 EGADMP CO[C@]1(C)C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1(C)C ZINC000462103402 310595577 /nfs/dbraw/zinc/59/55/77/310595577.db2.gz FGHWRSBBKOYXPF-TZIWHRDSSA-N 2 1 330.516 3.487 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000473282089 310773864 /nfs/dbraw/zinc/77/38/64/310773864.db2.gz ITNFOXPJVAFQGP-SJORKVTESA-N 2 1 339.911 3.226 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC1CCCCC1 ZINC000482135491 310926911 /nfs/dbraw/zinc/92/69/11/310926911.db2.gz ISNPQOCKTYFDSN-JENIJYKNSA-N 2 1 337.552 3.314 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C/C=C/c3ccncc3)c2)CCO1 ZINC000486948695 311003432 /nfs/dbraw/zinc/00/34/32/311003432.db2.gz VDNGDSJGTNKKHW-HNSSHINMSA-N 2 1 337.467 3.105 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C/C=C/c3ccncc3)c2)CCO1 ZINC000486948695 311003434 /nfs/dbraw/zinc/00/34/34/311003434.db2.gz VDNGDSJGTNKKHW-HNSSHINMSA-N 2 1 337.467 3.105 20 0 EGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CS1 ZINC000488451336 311066337 /nfs/dbraw/zinc/06/63/37/311066337.db2.gz FCNNDARGTXOHJF-CVEARBPZSA-N 2 1 326.550 3.141 20 0 EGADMP C[C@H]1C[C@H](CC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C[C@@H](C)C1 ZINC000490696995 311149403 /nfs/dbraw/zinc/14/94/03/311149403.db2.gz KLYGAIRGQMGVFU-TXVWBRJLSA-N 2 1 335.580 3.407 20 0 EGADMP CC(C)N(CCC[NH2+]C1CC[NH+](C2CC2)CC1)C(=O)OC(C)(C)C ZINC000496643430 311743121 /nfs/dbraw/zinc/74/31/21/311743121.db2.gz NAIJTCAWQYPDIS-UHFFFAOYSA-N 2 1 339.524 3.238 20 0 EGADMP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000505611623 312028154 /nfs/dbraw/zinc/02/81/54/312028154.db2.gz MBDBIONPGHCWJU-IEBWSBKVSA-N 2 1 345.531 3.216 20 0 EGADMP C[C@H](NCCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700771 312100158 /nfs/dbraw/zinc/10/01/58/312100158.db2.gz UZWCGCSTTOIYMZ-FPOVZHCZSA-N 2 1 329.532 3.363 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508700771 312100159 /nfs/dbraw/zinc/10/01/59/312100159.db2.gz UZWCGCSTTOIYMZ-FPOVZHCZSA-N 3 1 329.532 3.363 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700771 312100160 /nfs/dbraw/zinc/10/01/60/312100160.db2.gz UZWCGCSTTOIYMZ-FPOVZHCZSA-N 3 1 329.532 3.363 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(C3CCC3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000508878913 312104549 /nfs/dbraw/zinc/10/45/49/312104549.db2.gz OCONVWUASJRTJA-PGRDOPGGSA-N 2 1 341.543 3.412 20 0 EGADMP CCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC1CCCCC1 ZINC000511569019 312163035 /nfs/dbraw/zinc/16/30/35/312163035.db2.gz BVEGKGMYCUBESG-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000512178316 312178003 /nfs/dbraw/zinc/17/80/03/312178003.db2.gz IYUDJHDFDYHCJC-LJQANCHMSA-N 2 1 344.499 3.417 20 0 EGADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000512178316 312178006 /nfs/dbraw/zinc/17/80/06/312178006.db2.gz IYUDJHDFDYHCJC-LJQANCHMSA-N 2 1 344.499 3.417 20 0 EGADMP C[N@@H+](CCOc1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512580496 312189470 /nfs/dbraw/zinc/18/94/70/312189470.db2.gz BGRIGCPCXKVVGB-PBWFPOADSA-N 2 1 326.843 3.415 20 0 EGADMP C[NH+](CCOc1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512580496 312189472 /nfs/dbraw/zinc/18/94/72/312189472.db2.gz BGRIGCPCXKVVGB-PBWFPOADSA-N 2 1 326.843 3.415 20 0 EGADMP C[NH+](CCOc1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512580496 312189473 /nfs/dbraw/zinc/18/94/73/312189473.db2.gz BGRIGCPCXKVVGB-PBWFPOADSA-N 2 1 326.843 3.415 20 0 EGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000513472517 312211277 /nfs/dbraw/zinc/21/12/77/312211277.db2.gz GNKZGQXWGJXMHB-RBUKOAKNSA-N 2 1 336.907 3.474 20 0 EGADMP C[C@@H]1C[NH+](CCCNc2cc[nH+]c3ccc(Cl)cc23)C[C@@H](C)O1 ZINC000513645762 312214332 /nfs/dbraw/zinc/21/43/32/312214332.db2.gz PNZKAKHWYCXUQP-ZIAGYGMSSA-N 2 1 333.863 3.221 20 0 EGADMP Cc1cc(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)nc(C)[nH+]1 ZINC000514528750 312230644 /nfs/dbraw/zinc/23/06/44/312230644.db2.gz JEERXDKLYBOLHD-KRWDZBQOSA-N 2 1 330.863 3.418 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000516843183 312344291 /nfs/dbraw/zinc/34/42/91/312344291.db2.gz OSGQJACQCXCYLR-UHFFFAOYSA-N 2 1 334.851 3.173 20 0 EGADMP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000528354882 313071822 /nfs/dbraw/zinc/07/18/22/313071822.db2.gz HZGQNCJJZFBSNQ-FQEVSTJZSA-N 2 1 334.479 3.334 20 0 EGADMP Cc1nccn1CCN1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC000528639807 313135308 /nfs/dbraw/zinc/13/53/08/313135308.db2.gz MMCCOMYCGBZAOB-HXUWFJFHSA-N 2 1 326.488 3.034 20 0 EGADMP Cc1[nH+]ccn1CCN1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC000528639807 313135310 /nfs/dbraw/zinc/13/53/10/313135310.db2.gz MMCCOMYCGBZAOB-HXUWFJFHSA-N 2 1 326.488 3.034 20 0 EGADMP CN(CC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000534939010 314007020 /nfs/dbraw/zinc/00/70/20/314007020.db2.gz YVAOCCLUKWOXSQ-UHFFFAOYSA-N 2 1 331.548 3.442 20 0 EGADMP COc1ccccc1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538763099 314274291 /nfs/dbraw/zinc/27/42/91/314274291.db2.gz GFKATCIUNPMGFV-HDICACEKSA-N 2 1 346.515 3.407 20 0 EGADMP CCC(CC)[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000548442097 315009649 /nfs/dbraw/zinc/00/96/49/315009649.db2.gz GORIZTOGBDYZGE-LJQANCHMSA-N 2 1 331.504 3.059 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548717053 315038960 /nfs/dbraw/zinc/03/89/60/315038960.db2.gz JOBCSSVVXOFPDP-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP C[C@H]1CCC[NH+](CCCCNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548717053 315038962 /nfs/dbraw/zinc/03/89/62/315038962.db2.gz JOBCSSVVXOFPDP-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP C[C@H]1CCC[NH+](CCCCNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548717053 315038964 /nfs/dbraw/zinc/03/89/64/315038964.db2.gz JOBCSSVVXOFPDP-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000550896057 315137235 /nfs/dbraw/zinc/13/72/35/315137235.db2.gz VWFYBAXYIUKDDB-XRXFAXGQSA-N 2 1 328.500 3.302 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(C)c3)CC2)CC1 ZINC000553160888 315247757 /nfs/dbraw/zinc/24/77/57/315247757.db2.gz KYTVXRMQDFXPPF-UHFFFAOYSA-N 2 1 329.488 3.130 20 0 EGADMP Fc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1OC(F)F ZINC000555422382 315383950 /nfs/dbraw/zinc/38/39/50/315383950.db2.gz XNZLFLBGVILCPC-UHFFFAOYSA-N 2 1 328.378 3.391 20 0 EGADMP CC(C)CC[C@H](O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000563842197 316077406 /nfs/dbraw/zinc/07/74/06/316077406.db2.gz OJXJKTYWVJWMJE-HKBOAZHASA-N 2 1 330.516 3.237 20 0 EGADMP CC(C)CC[C@H](O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000563842197 316077408 /nfs/dbraw/zinc/07/74/08/316077408.db2.gz OJXJKTYWVJWMJE-HKBOAZHASA-N 2 1 330.516 3.237 20 0 EGADMP CC(C)CC[C@H](O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000563842197 316077413 /nfs/dbraw/zinc/07/74/13/316077413.db2.gz OJXJKTYWVJWMJE-HKBOAZHASA-N 2 1 330.516 3.237 20 0 EGADMP CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000564465957 316156444 /nfs/dbraw/zinc/15/64/44/316156444.db2.gz WFFDRHIKMLSMNY-QGZVFWFLSA-N 2 1 345.487 3.024 20 0 EGADMP CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000564465957 316156446 /nfs/dbraw/zinc/15/64/46/316156446.db2.gz WFFDRHIKMLSMNY-QGZVFWFLSA-N 2 1 345.487 3.024 20 0 EGADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000565219574 316293616 /nfs/dbraw/zinc/29/36/16/316293616.db2.gz WUCNZIQEIOGKPM-UHFFFAOYSA-N 2 1 348.487 3.491 20 0 EGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000565899769 316385822 /nfs/dbraw/zinc/38/58/22/316385822.db2.gz BVDVFSNTKYQNOR-SFHVURJKSA-N 2 1 337.471 3.175 20 0 EGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000565899769 316385827 /nfs/dbraw/zinc/38/58/27/316385827.db2.gz BVDVFSNTKYQNOR-SFHVURJKSA-N 2 1 337.471 3.175 20 0 EGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000568499917 316783059 /nfs/dbraw/zinc/78/30/59/316783059.db2.gz ZHKLFJWJUXJVCL-MOPGFXCFSA-N 2 1 325.456 3.410 20 0 EGADMP Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NC[C@H](O)C[NH+](C)C1CC1 ZINC000570325774 317039753 /nfs/dbraw/zinc/03/97/53/317039753.db2.gz XQHDOMNKHHRPMC-LPHOPBHVSA-N 2 1 331.504 3.241 20 0 EGADMP Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NC[C@H](O)C[NH+](C)C1CC1 ZINC000570325774 317039757 /nfs/dbraw/zinc/03/97/57/317039757.db2.gz XQHDOMNKHHRPMC-LPHOPBHVSA-N 2 1 331.504 3.241 20 0 EGADMP Cc1cc([NH+]2CCCC[C@@H]2C)ccc1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000570325774 317039759 /nfs/dbraw/zinc/03/97/59/317039759.db2.gz XQHDOMNKHHRPMC-LPHOPBHVSA-N 2 1 331.504 3.241 20 0 EGADMP Cc1cc([NH+]2CCCC[C@@H]2C)ccc1NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000570325774 317039763 /nfs/dbraw/zinc/03/97/63/317039763.db2.gz XQHDOMNKHHRPMC-LPHOPBHVSA-N 2 1 331.504 3.241 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000570642520 317086442 /nfs/dbraw/zinc/08/64/42/317086442.db2.gz VMLMYQFQSDTQBG-UNEWFSDZSA-N 2 1 344.421 3.244 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C)cc3C)CC2)CC1 ZINC000570748053 317101642 /nfs/dbraw/zinc/10/16/42/317101642.db2.gz XEZWCBJLXLMWET-UHFFFAOYSA-N 2 1 343.515 3.438 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000571770158 317245975 /nfs/dbraw/zinc/24/59/75/317245975.db2.gz NZRVECAKGHJOSM-UKRRQHHQSA-N 2 1 345.409 3.423 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(C(=O)OC)[nH]2)CC1)CC(C)C ZINC000572047358 317283641 /nfs/dbraw/zinc/28/36/41/317283641.db2.gz DGVRYFQEXZJXNM-UHFFFAOYSA-N 2 1 349.519 3.381 20 0 EGADMP C[C@@H](C[NH2+]Cc1cc2cc(Br)ccc2o1)C[NH+](C)C ZINC000572424464 317336962 /nfs/dbraw/zinc/33/69/62/317336962.db2.gz HLZLGPDUSOCAMZ-NSHDSACASA-N 2 1 325.250 3.483 20 0 EGADMP COCC[NH+]1CCC([NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000572685632 317374027 /nfs/dbraw/zinc/37/40/27/317374027.db2.gz CHPRRMRHKUOFAZ-INIZCTEOSA-N 2 1 344.421 3.108 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000573594160 317506639 /nfs/dbraw/zinc/50/66/39/317506639.db2.gz XFBQJEJYZZUSSP-OPYAIIAOSA-N 2 1 336.435 3.274 20 0 EGADMP C[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCC1 ZINC000173916044 323299946 /nfs/dbraw/zinc/29/99/46/323299946.db2.gz WPOOPCYPOYOREX-SFHVURJKSA-N 2 1 349.906 3.077 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCC1 ZINC000173916044 323299949 /nfs/dbraw/zinc/29/99/49/323299949.db2.gz WPOOPCYPOYOREX-SFHVURJKSA-N 2 1 349.906 3.077 20 0 EGADMP C[C@H](CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000379643152 324240220 /nfs/dbraw/zinc/24/02/20/324240220.db2.gz FLYOXXUSSQTRBV-PMXSJFBMSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000379643152 324240224 /nfs/dbraw/zinc/24/02/24/324240224.db2.gz FLYOXXUSSQTRBV-PMXSJFBMSA-N 3 1 329.532 3.407 20 0 EGADMP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000379643152 324240231 /nfs/dbraw/zinc/24/02/31/324240231.db2.gz FLYOXXUSSQTRBV-PMXSJFBMSA-N 3 1 329.532 3.407 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000382749219 324252690 /nfs/dbraw/zinc/25/26/90/324252690.db2.gz YOFLFDQSTYTUQL-YZGWKJHDSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386593972 324268895 /nfs/dbraw/zinc/26/88/95/324268895.db2.gz SFVHTYIZZVLJJP-YYIAUSFCSA-N 2 1 339.524 3.237 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386593972 324268899 /nfs/dbraw/zinc/26/88/99/324268899.db2.gz SFVHTYIZZVLJJP-YYIAUSFCSA-N 2 1 339.524 3.237 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2ccc(Cl)s2)CC1 ZINC000282697618 456595570 /nfs/dbraw/zinc/59/55/70/456595570.db2.gz ONZXVCCOKBWGDD-UHFFFAOYSA-N 2 1 329.941 3.249 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cncc(OCc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000579100410 325062292 /nfs/dbraw/zinc/06/22/92/325062292.db2.gz YFHDIRQISPANNL-QFBILLFUSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000579100410 325062297 /nfs/dbraw/zinc/06/22/97/325062297.db2.gz YFHDIRQISPANNL-QFBILLFUSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H](CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000579222259 325078889 /nfs/dbraw/zinc/07/88/89/325078889.db2.gz GFAXRHGIRZABNX-SUMWQHHRSA-N 2 1 344.421 3.244 20 0 EGADMP C[C@@H](CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000579222259 325078891 /nfs/dbraw/zinc/07/88/91/325078891.db2.gz GFAXRHGIRZABNX-SUMWQHHRSA-N 2 1 344.421 3.244 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000579254483 325085556 /nfs/dbraw/zinc/08/55/56/325085556.db2.gz KZBAOYYEGZAREC-FXAWDEMLSA-N 2 1 326.484 3.109 20 0 EGADMP C[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000579372559 325101341 /nfs/dbraw/zinc/10/13/41/325101341.db2.gz QIMMOEZBDACJMY-CJNGLKHVSA-N 2 1 339.911 3.035 20 0 EGADMP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)on1 ZINC000580193646 325215734 /nfs/dbraw/zinc/21/57/34/325215734.db2.gz MVLZHLIHDJXJPM-GOSISDBHSA-N 2 1 325.456 3.312 20 0 EGADMP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)on1 ZINC000580193646 325215736 /nfs/dbraw/zinc/21/57/36/325215736.db2.gz MVLZHLIHDJXJPM-GOSISDBHSA-N 2 1 325.456 3.312 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000580567668 325268667 /nfs/dbraw/zinc/26/86/67/325268667.db2.gz HOKUTWDAZBDPPX-RTBURBONSA-N 2 1 331.504 3.051 20 0 EGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000580827861 325299391 /nfs/dbraw/zinc/29/93/91/325299391.db2.gz XCAPOSQTKXSVLH-OALUTQOASA-N 2 1 338.455 3.084 20 0 EGADMP FC(F)n1c2ccccc2nc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000580895687 325306991 /nfs/dbraw/zinc/30/69/91/325306991.db2.gz MLQPIAMBHYXUMJ-UONOGXRCSA-N 2 1 334.414 3.253 20 0 EGADMP C[C@@H]([NH2+]C1(CNC(=O)[C@H](C)[NH+]2CC(C)C2)CCCC1)c1ccccc1 ZINC000581616453 325377091 /nfs/dbraw/zinc/37/70/91/325377091.db2.gz NBFBLNZQFGSVSO-MSOLQXFVSA-N 2 1 343.515 3.106 20 0 EGADMP COc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)c1OC ZINC000582323600 325432147 /nfs/dbraw/zinc/43/21/47/325432147.db2.gz HVWPWQWDLSPCOT-HZPDHXFCSA-N 2 1 334.504 3.470 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CC[N@H+]1C ZINC000180707438 455231407 /nfs/dbraw/zinc/23/14/07/455231407.db2.gz BFOVVUUFIPVNES-SWLSCSKDSA-N 2 1 334.851 3.005 20 0 EGADMP COc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(Cl)c1OC ZINC000459740977 458464506 /nfs/dbraw/zinc/46/45/06/458464506.db2.gz UTHYQGFINQHOND-CYBMUJFWSA-N 2 1 326.868 3.179 20 0 EGADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430629915 458473489 /nfs/dbraw/zinc/47/34/89/458473489.db2.gz QYJGBIXSEMMFNO-GFCCVEGCSA-N 2 1 334.261 3.168 20 0 EGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430629915 458473493 /nfs/dbraw/zinc/47/34/93/458473493.db2.gz QYJGBIXSEMMFNO-GFCCVEGCSA-N 2 1 334.261 3.168 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183142961 455238344 /nfs/dbraw/zinc/23/83/44/455238344.db2.gz SKPGUEGSSUGADX-CYBMUJFWSA-N 2 1 330.398 3.023 20 0 EGADMP C[C@@H](C[NH2+]Cc1cncc(Br)c1)C[NH+]1CCCCC1 ZINC000157861364 455241525 /nfs/dbraw/zinc/24/15/25/455241525.db2.gz PURAQFFZDMSULS-ZDUSSCGKSA-N 2 1 326.282 3.056 20 0 EGADMP COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183184773 455246502 /nfs/dbraw/zinc/24/65/02/455246502.db2.gz YULRGIMLWWNZHB-SXLOBPIMSA-N 2 1 330.516 3.487 20 0 EGADMP CC(C)(C)[C@H](CCO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000158000664 455258200 /nfs/dbraw/zinc/25/82/00/455258200.db2.gz NJFPFJRSHLCMPN-IBGZPJMESA-N 2 1 336.495 3.219 20 0 EGADMP CCOC(=O)C1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000158096802 455269649 /nfs/dbraw/zinc/26/96/49/455269649.db2.gz FWZHPVZHTAKGSL-UHFFFAOYSA-N 2 1 346.515 3.420 20 0 EGADMP CCOC(=O)C1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000158096802 455269651 /nfs/dbraw/zinc/26/96/51/455269651.db2.gz FWZHPVZHTAKGSL-UHFFFAOYSA-N 2 1 346.515 3.420 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000183705607 455323066 /nfs/dbraw/zinc/32/30/66/455323066.db2.gz GTTONBBRYXVHAQ-GPANFISMSA-N 2 1 336.442 3.182 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631846344 460579369 /nfs/dbraw/zinc/57/93/69/460579369.db2.gz XUSQWMCPEZOOGB-GWCFXTLKSA-N 2 1 340.258 3.052 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631846344 460579375 /nfs/dbraw/zinc/57/93/75/460579375.db2.gz XUSQWMCPEZOOGB-GWCFXTLKSA-N 2 1 340.258 3.052 20 0 EGADMP Cc1nccn1CCC[N@H+](C)[C@H](C)c1nnc(-c2cccs2)o1 ZINC000159214258 455362688 /nfs/dbraw/zinc/36/26/88/455362688.db2.gz CHLAILBRKUDRBU-GFCCVEGCSA-N 2 1 331.445 3.386 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1nnc(-c2cccs2)o1 ZINC000159214258 455362700 /nfs/dbraw/zinc/36/27/00/455362700.db2.gz CHLAILBRKUDRBU-GFCCVEGCSA-N 2 1 331.445 3.386 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000075819444 453929002 /nfs/dbraw/zinc/92/90/02/453929002.db2.gz JHCZRZYXIZBVDD-UHFFFAOYSA-N 2 1 343.862 3.270 20 0 EGADMP Cc1nccn1CCC[N@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000130455948 454199533 /nfs/dbraw/zinc/19/95/33/454199533.db2.gz RPKCGTVUIGHZAD-UHFFFAOYSA-N 2 1 334.851 3.196 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000130455948 454199534 /nfs/dbraw/zinc/19/95/34/454199534.db2.gz RPKCGTVUIGHZAD-UHFFFAOYSA-N 2 1 334.851 3.196 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000130455948 454199537 /nfs/dbraw/zinc/19/95/37/454199537.db2.gz RPKCGTVUIGHZAD-UHFFFAOYSA-N 2 1 334.851 3.196 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2c2ccc(C)cc2)CC1 ZINC000130917504 454226217 /nfs/dbraw/zinc/22/62/17/454226217.db2.gz ZAFWILXHAQNSRL-HXUWFJFHSA-N 2 1 343.515 3.123 20 0 EGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000120020718 454247773 /nfs/dbraw/zinc/24/77/73/454247773.db2.gz AALJKAHCMRLYGO-MAUKXSAKSA-N 2 1 345.487 3.456 20 0 EGADMP Clc1ccc2[nH+]ccc(N3CC[C@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000078404426 454248696 /nfs/dbraw/zinc/24/86/96/454248696.db2.gz UAZMKUQWUNCTGI-CQSZACIVSA-N 2 1 331.847 3.047 20 0 EGADMP COc1cccc(NC(=O)CC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000072605782 454317567 /nfs/dbraw/zinc/31/75/67/454317567.db2.gz QBOPKMATRZXSMG-UHFFFAOYSA-N 2 1 347.503 3.076 20 0 EGADMP COc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(OC)c1OC ZINC000061003142 454323884 /nfs/dbraw/zinc/32/38/84/454323884.db2.gz OHJCGRDBZQFIKB-UHFFFAOYSA-N 2 1 336.476 3.111 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[NH+](CC)CC ZINC000078822458 454325440 /nfs/dbraw/zinc/32/54/40/454325440.db2.gz BNWWQTLCVNCDQC-VQTJNVASSA-N 2 1 345.531 3.278 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000132371330 454333262 /nfs/dbraw/zinc/33/32/62/454333262.db2.gz NWLGPPSJYFNSBB-FQEVSTJZSA-N 2 1 345.531 3.260 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc(=O)oc2c1 ZINC000072718904 454333306 /nfs/dbraw/zinc/33/33/06/454333306.db2.gz BPGUPMAJTRNOKI-KRWDZBQOSA-N 2 1 340.467 3.409 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc(=O)oc2c1 ZINC000072718904 454333307 /nfs/dbraw/zinc/33/33/07/454333307.db2.gz BPGUPMAJTRNOKI-KRWDZBQOSA-N 2 1 340.467 3.409 20 0 EGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000090936624 454351612 /nfs/dbraw/zinc/35/16/12/454351612.db2.gz CIDGISHJSOOYEI-UIBIWLFHSA-N 2 1 334.504 3.201 20 0 EGADMP CCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000132767770 454364627 /nfs/dbraw/zinc/36/46/27/454364627.db2.gz YUYFNUTUHTZHAV-ZFWWWQNUSA-N 2 1 337.533 3.165 20 0 EGADMP c1ccc2c(c1)CCSC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000133088586 454391882 /nfs/dbraw/zinc/39/18/82/454391882.db2.gz VIIIHNNMDOZNMP-OXQOHEQNSA-N 2 1 346.540 3.108 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000063467561 454415634 /nfs/dbraw/zinc/41/56/34/454415634.db2.gz NGQDDASLGISRDA-ROUUACIJSA-N 2 1 345.531 3.121 20 0 EGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccccc2)C2CCCC2)C1 ZINC000091333552 454428087 /nfs/dbraw/zinc/42/80/87/454428087.db2.gz HRDXGCAJTNDDTH-PMACEKPBSA-N 2 1 343.515 3.095 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000121430035 454434444 /nfs/dbraw/zinc/43/44/44/454434444.db2.gz FZMYXWFVERHOCZ-CABCVRRESA-N 2 1 342.443 3.135 20 0 EGADMP CCc1ccc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)o1 ZINC000133637654 454448680 /nfs/dbraw/zinc/44/86/80/454448680.db2.gz IPHANOWIZHLVQE-UHFFFAOYSA-N 2 1 331.460 3.449 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000122546528 454545393 /nfs/dbraw/zinc/54/53/93/454545393.db2.gz ZZIYZULOJWWSSK-CVEARBPZSA-N 2 1 336.480 3.007 20 0 EGADMP CC[N@H+](C)Cc1cccc(CNC(=O)CCn2cc[nH+]c2C(C)C)c1 ZINC000074227318 454547545 /nfs/dbraw/zinc/54/75/45/454547545.db2.gz IGWWMULNSNJJLK-UHFFFAOYSA-N 2 1 342.487 3.165 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CCn2cc[nH+]c2C(C)C)c1 ZINC000074227318 454547548 /nfs/dbraw/zinc/54/75/48/454547548.db2.gz IGWWMULNSNJJLK-UHFFFAOYSA-N 2 1 342.487 3.165 20 0 EGADMP CC[C@]1(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000134567942 454562043 /nfs/dbraw/zinc/56/20/43/454562043.db2.gz OKCAVJQSEXGTIC-PKOBYXMFSA-N 2 1 349.906 3.125 20 0 EGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000092796517 454634746 /nfs/dbraw/zinc/63/47/46/454634746.db2.gz SXDIEBFDQHOXAX-ICSRJNTNSA-N 2 1 349.563 3.079 20 0 EGADMP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)ccc1OC(F)F ZINC000105443852 454639100 /nfs/dbraw/zinc/63/91/00/454639100.db2.gz XAQWVPOCCYLRPQ-LBPRGKRZSA-N 2 1 339.386 3.227 20 0 EGADMP CCCC[C@@H](C(=O)OC)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821481 454642396 /nfs/dbraw/zinc/64/23/96/454642396.db2.gz MIYFCMFSBAADLP-IBGZPJMESA-N 2 1 347.503 3.352 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NC2CCC(C)CC2)CC1 ZINC000052209497 454660897 /nfs/dbraw/zinc/66/08/97/454660897.db2.gz CFQXNVHPAOERAW-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000124020639 454693855 /nfs/dbraw/zinc/69/38/55/454693855.db2.gz KZRXQTJNXDABOW-NVXWUHKLSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000124020639 454693856 /nfs/dbraw/zinc/69/38/56/454693856.db2.gz KZRXQTJNXDABOW-NVXWUHKLSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1C ZINC000124020639 454693860 /nfs/dbraw/zinc/69/38/60/454693860.db2.gz KZRXQTJNXDABOW-NVXWUHKLSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1C ZINC000124020639 454693862 /nfs/dbraw/zinc/69/38/62/454693862.db2.gz KZRXQTJNXDABOW-NVXWUHKLSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@H](c1cccnc1)[N@@H+](C)CCOCC[NH+](C)[C@@H](C)c1cccnc1 ZINC000093234811 454694224 /nfs/dbraw/zinc/69/42/24/454694224.db2.gz CIRLZKCFVWEXPR-HDICACEKSA-N 2 1 342.487 3.179 20 0 EGADMP C[C@H](c1cccnc1)[NH+](C)CCOCC[N@H+](C)[C@@H](C)c1cccnc1 ZINC000093234811 454694227 /nfs/dbraw/zinc/69/42/27/454694227.db2.gz CIRLZKCFVWEXPR-HDICACEKSA-N 2 1 342.487 3.179 20 0 EGADMP C[C@H](c1cccnc1)[NH+](C)CCOCC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000093234811 454694230 /nfs/dbraw/zinc/69/42/30/454694230.db2.gz CIRLZKCFVWEXPR-HDICACEKSA-N 2 1 342.487 3.179 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000124021045 454694250 /nfs/dbraw/zinc/69/42/50/454694250.db2.gz KZRXQTJNXDABOW-WBVHZDCISA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000124021045 454694254 /nfs/dbraw/zinc/69/42/54/454694254.db2.gz KZRXQTJNXDABOW-WBVHZDCISA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1C ZINC000124021045 454694255 /nfs/dbraw/zinc/69/42/55/454694255.db2.gz KZRXQTJNXDABOW-WBVHZDCISA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1C ZINC000124021045 454694259 /nfs/dbraw/zinc/69/42/59/454694259.db2.gz KZRXQTJNXDABOW-WBVHZDCISA-N 2 1 339.524 3.048 20 0 EGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000152676168 454710700 /nfs/dbraw/zinc/71/07/00/454710700.db2.gz HKHUYFGUXNNGFQ-DZFGPLHGSA-N 2 1 328.500 3.335 20 0 EGADMP Cc1nccn1CCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000136294136 454733541 /nfs/dbraw/zinc/73/35/41/454733541.db2.gz HKVLDUDAQGWRLS-QGZVFWFLSA-N 2 1 342.487 3.008 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000136294136 454733544 /nfs/dbraw/zinc/73/35/44/454733544.db2.gz HKVLDUDAQGWRLS-QGZVFWFLSA-N 2 1 342.487 3.008 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000136294136 454733547 /nfs/dbraw/zinc/73/35/47/454733547.db2.gz HKVLDUDAQGWRLS-QGZVFWFLSA-N 2 1 342.487 3.008 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@]4(CCSC4)C3)CC2)cc1 ZINC000176387048 454737058 /nfs/dbraw/zinc/73/70/58/454737058.db2.gz NRLISOLXQMCSLJ-VQTJNVASSA-N 2 1 346.540 3.295 20 0 EGADMP Cc1cccc(C[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C2CC2)c1 ZINC000124523604 454743754 /nfs/dbraw/zinc/74/37/54/454743754.db2.gz QSXLRURRTFWTMN-QFIPXVFZSA-N 2 1 343.559 3.179 20 0 EGADMP Cc1cccc(C[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C2CC2)c1 ZINC000124523778 454743942 /nfs/dbraw/zinc/74/39/42/454743942.db2.gz QSXLRURRTFWTMN-JOCHJYFZSA-N 2 1 343.559 3.179 20 0 EGADMP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H]1CCOC1 ZINC000124636343 454755136 /nfs/dbraw/zinc/75/51/36/454755136.db2.gz CVSFRTHAERDYLZ-JWWGGVBKSA-N 2 1 346.515 3.201 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000162189234 454757080 /nfs/dbraw/zinc/75/70/80/454757080.db2.gz PPPVUVNIHBXLCF-BFQNTYOBSA-N 2 1 343.284 3.449 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCCC1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000162211009 454759236 /nfs/dbraw/zinc/75/92/36/454759236.db2.gz OZJFGLULKZTWGN-UHFFFAOYSA-N 3 1 344.547 3.496 20 0 EGADMP C[N@H+](CCCN1CCCCC1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000162211009 454759240 /nfs/dbraw/zinc/75/92/40/454759240.db2.gz OZJFGLULKZTWGN-UHFFFAOYSA-N 2 1 344.547 3.496 20 0 EGADMP C[N@@H+](CCCN1CCCCC1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000162211009 454759243 /nfs/dbraw/zinc/75/92/43/454759243.db2.gz OZJFGLULKZTWGN-UHFFFAOYSA-N 2 1 344.547 3.496 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCc4cc(F)ccc43)CC2)nc(C)[nH+]1 ZINC000162223866 454759753 /nfs/dbraw/zinc/75/97/53/454759753.db2.gz VBQAOIWLXQHYSY-LJQANCHMSA-N 2 1 340.446 3.478 20 0 EGADMP CCCCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124851821 454775926 /nfs/dbraw/zinc/77/59/26/454775926.db2.gz IQCVTQRIOYNNIB-OALUTQOASA-N 2 1 337.552 3.362 20 0 EGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000124881825 454779035 /nfs/dbraw/zinc/77/90/35/454779035.db2.gz NFOOFIIFAYSWBY-RTBURBONSA-N 2 1 344.503 3.147 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000124881825 454779038 /nfs/dbraw/zinc/77/90/38/454779038.db2.gz NFOOFIIFAYSWBY-RTBURBONSA-N 2 1 344.503 3.147 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000124881825 454779039 /nfs/dbraw/zinc/77/90/39/454779039.db2.gz NFOOFIIFAYSWBY-RTBURBONSA-N 2 1 344.503 3.147 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000124881825 454779042 /nfs/dbraw/zinc/77/90/42/454779042.db2.gz NFOOFIIFAYSWBY-RTBURBONSA-N 2 1 344.503 3.147 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000137449341 454780541 /nfs/dbraw/zinc/78/05/41/454780541.db2.gz CSKZNELZQNOMEP-UHFFFAOYSA-N 2 1 347.503 3.078 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC[C@@H]21 ZINC000139914689 454813004 /nfs/dbraw/zinc/81/30/04/454813004.db2.gz RMZBOLKZHSHBPB-PBHICJAKSA-N 2 1 335.879 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000163118923 454824382 /nfs/dbraw/zinc/82/43/82/454824382.db2.gz CMLJMPYQVACTRX-HXUWFJFHSA-N 2 1 327.472 3.344 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000163118923 454824383 /nfs/dbraw/zinc/82/43/83/454824383.db2.gz CMLJMPYQVACTRX-HXUWFJFHSA-N 2 1 327.472 3.344 20 0 EGADMP CCC[C@H](CC)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000125508692 454828666 /nfs/dbraw/zinc/82/86/66/454828666.db2.gz QHSBRJHHBPVBGT-OALUTQOASA-N 2 1 331.504 3.052 20 0 EGADMP C[C@H]1C[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000163260385 454834607 /nfs/dbraw/zinc/83/46/07/454834607.db2.gz PDFWAEPOSAEXBH-RAUXBKROSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[NH+]1C1CC1 ZINC000163260385 454834611 /nfs/dbraw/zinc/83/46/11/454834611.db2.gz PDFWAEPOSAEXBH-RAUXBKROSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[NH+]1C1CC1 ZINC000163260385 454834614 /nfs/dbraw/zinc/83/46/14/454834614.db2.gz PDFWAEPOSAEXBH-RAUXBKROSA-N 2 1 327.516 3.254 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000177247818 454842022 /nfs/dbraw/zinc/84/20/22/454842022.db2.gz AUUVLGQTPSFPHY-HXUWFJFHSA-N 2 1 343.515 3.203 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000111094668 454857238 /nfs/dbraw/zinc/85/72/38/454857238.db2.gz YHUYCMOSTTUSNT-IBGZPJMESA-N 2 1 345.531 3.402 20 0 EGADMP Cc1cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c2ccccc2n1 ZINC000177381612 454858175 /nfs/dbraw/zinc/85/81/75/454858175.db2.gz UZEJBGSSRITIFP-UHFFFAOYSA-N 2 1 340.515 3.001 20 0 EGADMP CC(C)N1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1=O ZINC000177426550 454862331 /nfs/dbraw/zinc/86/23/31/454862331.db2.gz VJMOVUBXYSAYLG-FXAWDEMLSA-N 2 1 343.515 3.160 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000154526896 454904933 /nfs/dbraw/zinc/90/49/33/454904933.db2.gz MHYAQFYCADPRHD-FQEVSTJZSA-N 2 1 347.572 3.024 20 0 EGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000166064360 454907628 /nfs/dbraw/zinc/90/76/28/454907628.db2.gz FMAFNVVDYZPXNX-AEFFLSMTSA-N 2 1 331.504 3.093 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccs1 ZINC000126668265 454910977 /nfs/dbraw/zinc/91/09/77/454910977.db2.gz SEAXVEPANLMVEB-MRXNPFEDSA-N 2 1 329.513 3.346 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)CC[N@H+]1C ZINC000177917721 454919540 /nfs/dbraw/zinc/91/95/40/454919540.db2.gz SPJLEVANDMGAON-QAPCUYQASA-N 2 1 336.907 3.461 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000151045714 454930271 /nfs/dbraw/zinc/93/02/71/454930271.db2.gz PAPVDMAWGVSKPY-MDZRGWNJSA-N 2 1 329.488 3.022 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000151097436 454936372 /nfs/dbraw/zinc/93/63/72/454936372.db2.gz RNEWWALFUONOAF-ROUUACIJSA-N 3 1 333.520 3.010 20 0 EGADMP CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000151097436 454936375 /nfs/dbraw/zinc/93/63/75/454936375.db2.gz RNEWWALFUONOAF-ROUUACIJSA-N 2 1 333.520 3.010 20 0 EGADMP CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000151097436 454936381 /nfs/dbraw/zinc/93/63/81/454936381.db2.gz RNEWWALFUONOAF-ROUUACIJSA-N 2 1 333.520 3.010 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000151130579 454942659 /nfs/dbraw/zinc/94/26/59/454942659.db2.gz FMOZIAVASWNUDI-PKOBYXMFSA-N 2 1 326.488 3.314 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000151130579 454942662 /nfs/dbraw/zinc/94/26/62/454942662.db2.gz FMOZIAVASWNUDI-PKOBYXMFSA-N 2 1 326.488 3.314 20 0 EGADMP C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000151359957 454974543 /nfs/dbraw/zinc/97/45/43/454974543.db2.gz PRKHFZLZGIUZLY-GFCCVEGCSA-N 2 1 331.287 3.491 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000151359957 454974545 /nfs/dbraw/zinc/97/45/45/454974545.db2.gz PRKHFZLZGIUZLY-GFCCVEGCSA-N 2 1 331.287 3.491 20 0 EGADMP CC[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)C1CC1 ZINC000151459197 454987332 /nfs/dbraw/zinc/98/73/32/454987332.db2.gz ZUXSKWRNMRXPSM-UHFFFAOYSA-N 2 1 343.515 3.019 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(Cl)nc3)CC2)nc(C)[nH+]1 ZINC000179136735 455012760 /nfs/dbraw/zinc/01/27/60/455012760.db2.gz PPULSZQVTMFLPQ-ZDUSSCGKSA-N 2 1 345.878 3.461 20 0 EGADMP C[N@H+](CCCO)C1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000115519885 455018594 /nfs/dbraw/zinc/01/85/94/455018594.db2.gz VFAFBGFXJVXMBO-UHFFFAOYSA-N 2 1 333.863 3.171 20 0 EGADMP C[N@@H+](CCCO)C1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000115519885 455018598 /nfs/dbraw/zinc/01/85/98/455018598.db2.gz VFAFBGFXJVXMBO-UHFFFAOYSA-N 2 1 333.863 3.171 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000151757289 455026347 /nfs/dbraw/zinc/02/63/47/455026347.db2.gz SFMXGVMPCYJVGB-PXNSSMCTSA-N 2 1 338.499 3.290 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)nc2)CC[N@H+]1Cc1ccccc1 ZINC000151757289 455026353 /nfs/dbraw/zinc/02/63/53/455026353.db2.gz SFMXGVMPCYJVGB-PXNSSMCTSA-N 2 1 338.499 3.290 20 0 EGADMP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000155647763 455026802 /nfs/dbraw/zinc/02/68/02/455026802.db2.gz FHFQMHUDVRIIQQ-PBHICJAKSA-N 2 1 328.460 3.367 20 0 EGADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000155660266 455027590 /nfs/dbraw/zinc/02/75/90/455027590.db2.gz YRLORWGMBOFHCI-JXFKEZNVSA-N 2 1 345.531 3.441 20 0 EGADMP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)c2ccccc2)CC1 ZINC000600965634 460659968 /nfs/dbraw/zinc/65/99/68/460659968.db2.gz RCKPOLTZXJZZRV-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP CCOCc1cc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)ccc1OC ZINC000179955237 455105447 /nfs/dbraw/zinc/10/54/47/455105447.db2.gz LLLUDDSJLBUNNB-GOSISDBHSA-N 2 1 334.504 3.395 20 0 EGADMP CCOCc1cc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)ccc1OC ZINC000179955237 455105453 /nfs/dbraw/zinc/10/54/53/455105453.db2.gz LLLUDDSJLBUNNB-GOSISDBHSA-N 2 1 334.504 3.395 20 0 EGADMP Fc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc(F)c1F ZINC000179988118 455110978 /nfs/dbraw/zinc/11/09/78/455110978.db2.gz NJIJNRBBEQWAPD-UHFFFAOYSA-N 2 1 342.405 3.181 20 0 EGADMP Cc1ccccc1C1(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CCOCC1 ZINC000152411713 455115601 /nfs/dbraw/zinc/11/56/01/455115601.db2.gz SCEYMCGAWXCYLM-BJLQDIEVSA-N 2 1 330.516 3.362 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000623656181 460663342 /nfs/dbraw/zinc/66/33/42/460663342.db2.gz OQUJLRHSNPRSNJ-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(OC(F)F)c1 ZINC000623655768 460663813 /nfs/dbraw/zinc/66/38/13/460663813.db2.gz DYIGPWDBDDYRIU-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(OC(F)F)c1 ZINC000623655768 460663816 /nfs/dbraw/zinc/66/38/16/460663816.db2.gz DYIGPWDBDDYRIU-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000623655898 460664032 /nfs/dbraw/zinc/66/40/32/460664032.db2.gz IEMYPRCPAMKSBO-HXUWFJFHSA-N 2 1 339.483 3.482 20 0 EGADMP C[C@H](NCC[N@@H+]1CCC[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000156672493 455143281 /nfs/dbraw/zinc/14/32/81/455143281.db2.gz CQHMGHSUSRHLID-ROUUACIJSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@H](NCC[N@H+]1CCC[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000156672493 455143285 /nfs/dbraw/zinc/14/32/85/455143285.db2.gz CQHMGHSUSRHLID-ROUUACIJSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)CCCc2cnn(C)c2)CCN1Cc1ccccc1 ZINC000156970312 455159201 /nfs/dbraw/zinc/15/92/01/455159201.db2.gz NFJXHBXQAKRBPO-WIYYLYMNSA-N 2 1 340.515 3.338 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CCCc2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000156970312 455159204 /nfs/dbraw/zinc/15/92/04/455159204.db2.gz NFJXHBXQAKRBPO-WIYYLYMNSA-N 2 1 340.515 3.338 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CCCc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000156970312 455159207 /nfs/dbraw/zinc/15/92/07/455159207.db2.gz NFJXHBXQAKRBPO-WIYYLYMNSA-N 2 1 340.515 3.338 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)CCCc2cnn(C)c2)CC[NH+]1Cc1ccccc1 ZINC000156970312 455159209 /nfs/dbraw/zinc/15/92/09/455159209.db2.gz NFJXHBXQAKRBPO-WIYYLYMNSA-N 2 1 340.515 3.338 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)CCCc2cnn(C)c2)CC[NH+]1Cc1ccccc1 ZINC000156970312 455159211 /nfs/dbraw/zinc/15/92/11/455159211.db2.gz NFJXHBXQAKRBPO-WIYYLYMNSA-N 2 1 340.515 3.338 20 0 EGADMP CC(C)[C@H](C)NC(=O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157004097 455160537 /nfs/dbraw/zinc/16/05/37/455160537.db2.gz AVOOUMFOWFAPPL-CMKODMSKSA-N 2 1 345.531 3.132 20 0 EGADMP Cn1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(-c2cccs2)n1 ZINC000180439633 455169851 /nfs/dbraw/zinc/16/98/51/455169851.db2.gz KSUKKEGJWOUWMZ-INIZCTEOSA-N 2 1 332.517 3.455 20 0 EGADMP Cn1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(-c2cccs2)n1 ZINC000180439633 455169854 /nfs/dbraw/zinc/16/98/54/455169854.db2.gz KSUKKEGJWOUWMZ-INIZCTEOSA-N 2 1 332.517 3.455 20 0 EGADMP Cn1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(-c2cccs2)n1 ZINC000180439633 455169857 /nfs/dbraw/zinc/16/98/57/455169857.db2.gz KSUKKEGJWOUWMZ-INIZCTEOSA-N 2 1 332.517 3.455 20 0 EGADMP Cn1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(-c2cccs2)n1 ZINC000180439633 455169860 /nfs/dbraw/zinc/16/98/60/455169860.db2.gz KSUKKEGJWOUWMZ-INIZCTEOSA-N 2 1 332.517 3.455 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000237394320 455181183 /nfs/dbraw/zinc/18/11/83/455181183.db2.gz CVNZJTWMWOXVRL-AWEZNQCLSA-N 2 1 339.443 3.016 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCCCCC[NH3+])cc2)C1 ZINC000237502882 455190140 /nfs/dbraw/zinc/19/01/40/455190140.db2.gz HHCQNUNPDCRPGF-SFHVURJKSA-N 2 1 345.531 3.444 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000245201701 455280683 /nfs/dbraw/zinc/28/06/83/455280683.db2.gz LTPNDMLAGPPHEP-ZACQAIPSSA-N 2 1 331.504 3.016 20 0 EGADMP CC(C)N1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1=O ZINC000245477588 455310470 /nfs/dbraw/zinc/31/04/70/455310470.db2.gz UMZRCUQXOXPFLX-PXNSSMCTSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)N2CCCCC2)CC1 ZINC000158895699 455335777 /nfs/dbraw/zinc/33/57/77/455335777.db2.gz UJBBUSQQTKZPCI-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245914190 455398585 /nfs/dbraw/zinc/39/85/85/455398585.db2.gz GEXIHEOEHWKLBY-IKGGRYGDSA-N 2 1 339.524 3.001 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000174658107 455409798 /nfs/dbraw/zinc/40/97/98/455409798.db2.gz ZUOSUBXUIOIWRU-UHFFFAOYSA-N 2 1 345.531 3.263 20 0 EGADMP c1cc(OCC2CC2)ccc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000191123686 455447919 /nfs/dbraw/zinc/44/79/19/455447919.db2.gz LRNPJPWDMJVSED-IBGZPJMESA-N 2 1 344.499 3.066 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246269544 455461394 /nfs/dbraw/zinc/46/13/94/455461394.db2.gz UXSFNEGOCQWCJH-XJKSGUPXSA-N 2 1 330.394 3.448 20 0 EGADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)s1 ZINC000182257381 455473502 /nfs/dbraw/zinc/47/35/02/455473502.db2.gz RGUKWIBZULQJEJ-QAPCUYQASA-N 2 1 330.497 3.474 20 0 EGADMP COc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182263511 455475967 /nfs/dbraw/zinc/47/59/67/455475967.db2.gz SAPHORNLOOKWMK-APWZRJJASA-N 2 1 340.467 3.113 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)CCc3ccccc3)C2)CC1 ZINC000182294528 455481995 /nfs/dbraw/zinc/48/19/95/455481995.db2.gz ZHHQAYOZWUKUJY-FCHUYYIVSA-N 2 1 344.543 3.424 20 0 EGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246828696 455528424 /nfs/dbraw/zinc/52/84/24/455528424.db2.gz AIJNZYDZBGPZSH-DVOMOZLQSA-N 2 1 325.294 3.452 20 0 EGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246828696 455528427 /nfs/dbraw/zinc/52/84/27/455528427.db2.gz AIJNZYDZBGPZSH-DVOMOZLQSA-N 2 1 325.294 3.452 20 0 EGADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000182630579 455556626 /nfs/dbraw/zinc/55/66/26/455556626.db2.gz BMLAMYJCKGTSJL-HKUYNNGSSA-N 2 1 346.515 3.261 20 0 EGADMP CCC(CC)(CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+][C@H](C)c1ccccc1 ZINC000601019075 460677932 /nfs/dbraw/zinc/67/79/32/460677932.db2.gz GRAZZTPWHGAIDT-IEBWSBKVSA-N 2 1 345.531 3.497 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192138296 455563064 /nfs/dbraw/zinc/56/30/64/455563064.db2.gz GNNADEYTAIZWDF-MSOLQXFVSA-N 2 1 335.398 3.370 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000247204606 455573428 /nfs/dbraw/zinc/57/34/28/455573428.db2.gz WMWPRFNVQSDBDY-BBRMVZONSA-N 2 1 330.394 3.448 20 0 EGADMP CCN(C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1CCCCC1 ZINC000185660367 455591153 /nfs/dbraw/zinc/59/11/53/455591153.db2.gz VFQHLKMVYSTLCW-MSOLQXFVSA-N 2 1 349.563 3.410 20 0 EGADMP CCN(C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CCCCC1 ZINC000185660367 455591157 /nfs/dbraw/zinc/59/11/57/455591157.db2.gz VFQHLKMVYSTLCW-MSOLQXFVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NC1CCCCC1 ZINC000185677134 455594462 /nfs/dbraw/zinc/59/44/62/455594462.db2.gz RPINJMKNWRQZFX-YESZJQIVSA-N 2 1 335.536 3.066 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)NC1CCCCC1 ZINC000185677134 455594465 /nfs/dbraw/zinc/59/44/65/455594465.db2.gz RPINJMKNWRQZFX-YESZJQIVSA-N 2 1 335.536 3.066 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185707081 455602378 /nfs/dbraw/zinc/60/23/78/455602378.db2.gz UYOPORWZIGBLDX-ZIFCJYIRSA-N 2 1 343.515 3.106 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185707081 455602383 /nfs/dbraw/zinc/60/23/83/455602383.db2.gz UYOPORWZIGBLDX-ZIFCJYIRSA-N 2 1 343.515 3.106 20 0 EGADMP C[C@@H]([NH2+]CCC(=O)OCc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185716763 455604722 /nfs/dbraw/zinc/60/47/22/455604722.db2.gz XLDUBQFHESVQAE-IEBWSBKVSA-N 2 1 344.499 3.363 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185724727 455606332 /nfs/dbraw/zinc/60/63/32/455606332.db2.gz GTXQURIBFTVXGI-SQGPQFPESA-N 2 1 341.499 3.035 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724727 455606337 /nfs/dbraw/zinc/60/63/37/455606337.db2.gz GTXQURIBFTVXGI-SQGPQFPESA-N 2 1 341.499 3.035 20 0 EGADMP COc1c(C)cnc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000185737645 455611401 /nfs/dbraw/zinc/61/14/01/455611401.db2.gz CMVDQKRJVLZYAE-IRXDYDNUSA-N 2 1 331.504 3.450 20 0 EGADMP COc1c(C)cnc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000185737645 455611404 /nfs/dbraw/zinc/61/14/04/455611404.db2.gz CMVDQKRJVLZYAE-IRXDYDNUSA-N 2 1 331.504 3.450 20 0 EGADMP COC(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185756259 455615403 /nfs/dbraw/zinc/61/54/03/455615403.db2.gz PDWMBCIASWDMFG-CRAIPNDOSA-N 2 1 330.472 3.216 20 0 EGADMP C[C@@H]([NH2+]CC(=O)NCCC1=CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185756389 455615529 /nfs/dbraw/zinc/61/55/29/455615529.db2.gz JXNSCXBWZFQJTK-MJGOQNOKSA-N 2 1 347.547 3.236 20 0 EGADMP C[C@@H]([NH2+]CC(=O)NCCC1=CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185756389 455615534 /nfs/dbraw/zinc/61/55/34/455615534.db2.gz JXNSCXBWZFQJTK-MJGOQNOKSA-N 2 1 347.547 3.236 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000247657603 455635136 /nfs/dbraw/zinc/63/51/36/455635136.db2.gz PSEHYNSCZZXDER-MSOLQXFVSA-N 2 1 326.488 3.421 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000247887403 455652444 /nfs/dbraw/zinc/65/24/44/455652444.db2.gz DLQMSGYPVIJULU-YYWHXJBOSA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(OC)cc2)N2CCCC2)[C@@H](C)C1 ZINC000247887403 455652448 /nfs/dbraw/zinc/65/24/48/455652448.db2.gz DLQMSGYPVIJULU-YYWHXJBOSA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(OC)cc2)N2CCCC2)[C@@H](C)C1 ZINC000247887403 455652454 /nfs/dbraw/zinc/65/24/54/455652454.db2.gz DLQMSGYPVIJULU-YYWHXJBOSA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000248030246 455672284 /nfs/dbraw/zinc/67/22/84/455672284.db2.gz QETFMXRNAIOQTH-RDTXWAMCSA-N 2 1 330.476 3.105 20 0 EGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000271554779 455683494 /nfs/dbraw/zinc/68/34/94/455683494.db2.gz VOOJWUSIKKGPDP-SLFFLAALSA-N 2 1 344.499 3.176 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)ccc2o1 ZINC000248168109 455692938 /nfs/dbraw/zinc/69/29/38/455692938.db2.gz UEUOXEAMAQNYQZ-NVXWUHKLSA-N 2 1 342.439 3.136 20 0 EGADMP COC(=O)c1cc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)ccc2o1 ZINC000248168109 455692939 /nfs/dbraw/zinc/69/29/39/455692939.db2.gz UEUOXEAMAQNYQZ-NVXWUHKLSA-N 2 1 342.439 3.136 20 0 EGADMP COC(=O)c1cc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)ccc2o1 ZINC000248168109 455692940 /nfs/dbraw/zinc/69/29/40/455692940.db2.gz UEUOXEAMAQNYQZ-NVXWUHKLSA-N 2 1 342.439 3.136 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3cc(Cl)ccc3C2)CC1 ZINC000192844912 455704868 /nfs/dbraw/zinc/70/48/68/455704868.db2.gz NWDCCUZLTKQZAI-UHFFFAOYSA-N 2 1 335.923 3.114 20 0 EGADMP CCSc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000186215986 455718198 /nfs/dbraw/zinc/71/81/98/455718198.db2.gz WJOHXFZMJLYQAX-GOSISDBHSA-N 2 1 333.545 3.010 20 0 EGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000292653838 455722955 /nfs/dbraw/zinc/72/29/55/455722955.db2.gz ICJOPKKTMMLTPQ-MRXNPFEDSA-N 2 1 333.476 3.416 20 0 EGADMP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccnn1C ZINC000192961209 455726965 /nfs/dbraw/zinc/72/69/65/455726965.db2.gz KLXNMOCHKYLKDP-ZACQAIPSSA-N 2 1 326.488 3.227 20 0 EGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000268921492 455730424 /nfs/dbraw/zinc/73/04/24/455730424.db2.gz WQIXSVGTWMOLGH-HXUWFJFHSA-N 2 1 344.499 3.307 20 0 EGADMP CCC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(OC)cc1 ZINC000268938971 455736833 /nfs/dbraw/zinc/73/68/33/455736833.db2.gz SGXNATZVKRGTAT-UYAOXDASSA-N 2 1 334.504 3.363 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000616994287 460692709 /nfs/dbraw/zinc/69/27/09/460692709.db2.gz YBQXYSBMJXCPTK-SFHVURJKSA-N 2 1 343.515 3.133 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000284846249 455751529 /nfs/dbraw/zinc/75/15/29/455751529.db2.gz RGRPDZAKIIHBTL-JKSUJKDBSA-N 2 1 338.293 3.369 20 0 EGADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3OCc3cccnc3)C2)C1 ZINC000292781126 455755831 /nfs/dbraw/zinc/75/58/31/455755831.db2.gz LJGNDVMNGIENNW-OAQYLSRUSA-N 2 1 337.467 3.188 20 0 EGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3OCc3cccnc3)C2)C1 ZINC000292781126 455755836 /nfs/dbraw/zinc/75/58/36/455755836.db2.gz LJGNDVMNGIENNW-OAQYLSRUSA-N 2 1 337.467 3.188 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3OCc3cccnc3)C2)C1 ZINC000292781126 455755840 /nfs/dbraw/zinc/75/58/40/455755840.db2.gz LJGNDVMNGIENNW-OAQYLSRUSA-N 2 1 337.467 3.188 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3OCc3cccnc3)C2)C1 ZINC000292781126 455755845 /nfs/dbraw/zinc/75/58/45/455755845.db2.gz LJGNDVMNGIENNW-OAQYLSRUSA-N 2 1 337.467 3.188 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3OCc3cccnc3)C2)C1 ZINC000292781126 455755849 /nfs/dbraw/zinc/75/58/49/455755849.db2.gz LJGNDVMNGIENNW-OAQYLSRUSA-N 2 1 337.467 3.188 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000268998321 455758677 /nfs/dbraw/zinc/75/86/77/455758677.db2.gz LCPKGAOULRWUBN-OAHLLOKOSA-N 2 1 343.471 3.311 20 0 EGADMP Cc1ncc(C[NH+](C)C/C=C/C[N@@H+](C)Cc2cnc(C)s2)s1 ZINC000193471067 455761357 /nfs/dbraw/zinc/76/13/57/455761357.db2.gz CWGUBOZGYKVJQM-AATRIKPKSA-N 2 1 336.530 3.336 20 0 EGADMP Cc1ncc(C[NH+](C)C/C=C/C[N@H+](C)Cc2cnc(C)s2)s1 ZINC000193471067 455761362 /nfs/dbraw/zinc/76/13/62/455761362.db2.gz CWGUBOZGYKVJQM-AATRIKPKSA-N 2 1 336.530 3.336 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000271878945 455796808 /nfs/dbraw/zinc/79/68/08/455796808.db2.gz OWQSASUMYNEJOP-MRXNPFEDSA-N 2 1 326.362 3.424 20 0 EGADMP COc1cccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)[NH+]2CCCC2)c1 ZINC000253370047 455835371 /nfs/dbraw/zinc/83/53/71/455835371.db2.gz LGAGECULEWBOGN-DYXWJJEUSA-N 2 1 343.515 3.049 20 0 EGADMP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)N2CCCC2)c1 ZINC000253370047 455835376 /nfs/dbraw/zinc/83/53/76/455835376.db2.gz LGAGECULEWBOGN-DYXWJJEUSA-N 2 1 343.515 3.049 20 0 EGADMP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)N2CCCC2)c1 ZINC000253370047 455835379 /nfs/dbraw/zinc/83/53/79/455835379.db2.gz LGAGECULEWBOGN-DYXWJJEUSA-N 2 1 343.515 3.049 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000285705770 455899943 /nfs/dbraw/zinc/89/99/43/455899943.db2.gz PHGURUUZJPXIRP-CVEARBPZSA-N 2 1 345.487 3.323 20 0 EGADMP CC(C)c1cccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000261599584 455910455 /nfs/dbraw/zinc/91/04/55/455910455.db2.gz AUYGXJXWKRDOFR-IBGZPJMESA-N 2 1 329.488 3.213 20 0 EGADMP Cc1nc(CCN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000280245784 455926855 /nfs/dbraw/zinc/92/68/55/455926855.db2.gz BUNORCZGYNDRHG-HDICACEKSA-N 2 1 327.497 3.058 20 0 EGADMP Cc1nc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000280245784 455926858 /nfs/dbraw/zinc/92/68/58/455926858.db2.gz BUNORCZGYNDRHG-HDICACEKSA-N 2 1 327.497 3.058 20 0 EGADMP Cc1nc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000280245784 455926861 /nfs/dbraw/zinc/92/68/61/455926861.db2.gz BUNORCZGYNDRHG-HDICACEKSA-N 2 1 327.497 3.058 20 0 EGADMP Cc1nc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000280245784 455926865 /nfs/dbraw/zinc/92/68/65/455926865.db2.gz BUNORCZGYNDRHG-HDICACEKSA-N 2 1 327.497 3.058 20 0 EGADMP Cc1nc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000280245784 455926868 /nfs/dbraw/zinc/92/68/68/455926868.db2.gz BUNORCZGYNDRHG-HDICACEKSA-N 2 1 327.497 3.058 20 0 EGADMP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272372810 455928147 /nfs/dbraw/zinc/92/81/47/455928147.db2.gz UZEWIRHGFMMSKB-ZMHJYQQXSA-N 2 1 328.500 3.300 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3C[C@@H](c4ccccc4)[C@H](N)C3)cc2)n1 ZINC000261713667 455933692 /nfs/dbraw/zinc/93/36/92/455933692.db2.gz KQGCKWXOBZTAPP-FCHUYYIVSA-N 2 1 346.478 3.416 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000285926253 455943588 /nfs/dbraw/zinc/94/35/88/455943588.db2.gz CQZQCEHGJCMQOL-JKSUJKDBSA-N 2 1 345.487 3.036 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2CC[NH3+])cc1)C(C)C ZINC000285951735 455948410 /nfs/dbraw/zinc/94/84/10/455948410.db2.gz GJSYPWHZNRRDOU-LJQANCHMSA-N 2 1 331.504 3.260 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1F ZINC000270474095 455963108 /nfs/dbraw/zinc/96/31/08/455963108.db2.gz JJFRXIAJNKOEDG-KFKAGJAMSA-N 2 1 341.430 3.367 20 0 EGADMP C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000195466260 455965116 /nfs/dbraw/zinc/96/51/16/455965116.db2.gz LZJXIPRFKCIACU-KSZLIROESA-N 2 1 333.495 3.377 20 0 EGADMP C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000195466260 455965121 /nfs/dbraw/zinc/96/51/21/455965121.db2.gz LZJXIPRFKCIACU-KSZLIROESA-N 2 1 333.495 3.377 20 0 EGADMP CC[N@@H+](Cc1cnc(N)s1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000261887197 455965359 /nfs/dbraw/zinc/96/53/59/455965359.db2.gz SEJQNAWPSZCQPZ-MRXNPFEDSA-N 2 1 330.501 3.069 20 0 EGADMP CC[N@H+](Cc1cnc(N)s1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000261887197 455965362 /nfs/dbraw/zinc/96/53/62/455965362.db2.gz SEJQNAWPSZCQPZ-MRXNPFEDSA-N 2 1 330.501 3.069 20 0 EGADMP CC[NH+](Cc1cnc(N)s1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261887197 455965365 /nfs/dbraw/zinc/96/53/65/455965365.db2.gz SEJQNAWPSZCQPZ-MRXNPFEDSA-N 2 1 330.501 3.069 20 0 EGADMP CC[NH+](Cc1cnc(N)s1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261887197 455965372 /nfs/dbraw/zinc/96/53/72/455965372.db2.gz SEJQNAWPSZCQPZ-MRXNPFEDSA-N 2 1 330.501 3.069 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000261887636 455965738 /nfs/dbraw/zinc/96/57/38/455965738.db2.gz VMIZXRLZIFZEOH-DLBZAZTESA-N 2 1 329.488 3.389 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000272514318 455978193 /nfs/dbraw/zinc/97/81/93/455978193.db2.gz GTAKECQCVSUDDD-ICSRJNTNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000272514318 455978194 /nfs/dbraw/zinc/97/81/94/455978194.db2.gz GTAKECQCVSUDDD-ICSRJNTNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261982518 455981421 /nfs/dbraw/zinc/98/14/21/455981421.db2.gz RPAIZEHKFLRPFI-DGCLKSJQSA-N 2 1 338.377 3.265 20 0 EGADMP CCN(CC)C(=O)CCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272526280 455982640 /nfs/dbraw/zinc/98/26/40/455982640.db2.gz AKGXMQOMCWLMGZ-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP Cc1nccn1C[C@H](C)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272553003 455992181 /nfs/dbraw/zinc/99/21/81/455992181.db2.gz SUTYRUGQTMHDEG-OPYAIIAOSA-N 2 1 340.515 3.328 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272553003 455992187 /nfs/dbraw/zinc/99/21/87/455992187.db2.gz SUTYRUGQTMHDEG-OPYAIIAOSA-N 3 1 340.515 3.328 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272553003 455992197 /nfs/dbraw/zinc/99/21/97/455992197.db2.gz SUTYRUGQTMHDEG-OPYAIIAOSA-N 3 1 340.515 3.328 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)CCC2)c1 ZINC000262173142 456007881 /nfs/dbraw/zinc/00/78/81/456007881.db2.gz VLNFATSTGCAWQB-SJLPKXTDSA-N 2 1 332.488 3.051 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000262177567 456008428 /nfs/dbraw/zinc/00/84/28/456008428.db2.gz IHDGKKMXKLUGGM-PXNSSMCTSA-N 2 1 345.531 3.293 20 0 EGADMP Cc1nccn1CCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272601947 456009814 /nfs/dbraw/zinc/00/98/14/456009814.db2.gz YNSULFFINOZLFR-XLIONFOSSA-N 2 1 326.488 3.082 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272601947 456009818 /nfs/dbraw/zinc/00/98/18/456009818.db2.gz YNSULFFINOZLFR-XLIONFOSSA-N 3 1 326.488 3.082 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272601947 456009820 /nfs/dbraw/zinc/00/98/20/456009820.db2.gz YNSULFFINOZLFR-XLIONFOSSA-N 3 1 326.488 3.082 20 0 EGADMP Cc1ncsc1CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272608425 456012222 /nfs/dbraw/zinc/01/22/22/456012222.db2.gz ZLHKQYDFGXRHLC-QAPCUYQASA-N 2 1 329.513 3.494 20 0 EGADMP COC(=O)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1Cl ZINC000296744638 456026948 /nfs/dbraw/zinc/02/69/48/456026948.db2.gz JZLILWIQOSLUAP-YOEHRIQHSA-N 2 1 336.863 3.043 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286345249 456028712 /nfs/dbraw/zinc/02/87/12/456028712.db2.gz ZAGBCKHOVJYZHD-QZTJIDSGSA-N 2 1 341.503 3.286 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000280739760 456042709 /nfs/dbraw/zinc/04/27/09/456042709.db2.gz MFRBPZBAKBEFNL-CQSZACIVSA-N 2 1 347.768 3.187 20 0 EGADMP C[NH+](C)CCC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000272705610 456047089 /nfs/dbraw/zinc/04/70/89/456047089.db2.gz VXYRTYJPIZVRCU-IRXDYDNUSA-N 2 1 333.476 3.239 20 0 EGADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000272719535 456051596 /nfs/dbraw/zinc/05/15/96/456051596.db2.gz DWMGUZDVRUZVKV-GUDVDZBRSA-N 2 1 348.462 3.007 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H](C)C2CC[NH2+]CC2)C1 ZINC000262666028 456052640 /nfs/dbraw/zinc/05/26/40/456052640.db2.gz KDMDKCGTDOJITB-DLBZAZTESA-N 2 1 337.552 3.029 20 0 EGADMP Cc1ccsc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272800962 456073317 /nfs/dbraw/zinc/07/33/17/456073317.db2.gz ZQKASVPSIUTGJN-YJBOKZPZSA-N 2 1 330.497 3.474 20 0 EGADMP C[C@H](CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[C@H]1CCC[NH2+]C1 ZINC000263265873 456117955 /nfs/dbraw/zinc/11/79/55/456117955.db2.gz NODCHSRCACGPEV-WCIQWLHISA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236635281 456161287 /nfs/dbraw/zinc/16/12/87/456161287.db2.gz DLTWOEBERZNDPW-HKUYNNGSSA-N 2 1 345.531 3.263 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4ccccc4C3)cc2)CC1 ZINC000237092053 456231744 /nfs/dbraw/zinc/23/17/44/456231744.db2.gz RKYBBJCQOPYDFG-HSZRJFAPSA-N 2 1 349.522 3.081 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000352777006 456296805 /nfs/dbraw/zinc/29/68/05/456296805.db2.gz FPQNBZDMKDWSOY-SCTDSRPQSA-N 2 1 348.535 3.016 20 0 EGADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290357976 456303908 /nfs/dbraw/zinc/30/39/08/456303908.db2.gz GOWSNXSWBDQSHJ-LJQANCHMSA-N 2 1 338.499 3.344 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNCc2ncc(CN(C)C)s2)C1 ZINC000352786784 456306467 /nfs/dbraw/zinc/30/64/67/456306467.db2.gz JOEWZHISFMAGHQ-HNNXBMFYSA-N 2 1 338.565 3.195 20 0 EGADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352786784 456306475 /nfs/dbraw/zinc/30/64/75/456306475.db2.gz JOEWZHISFMAGHQ-HNNXBMFYSA-N 2 1 338.565 3.195 20 0 EGADMP C[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340201359 456310597 /nfs/dbraw/zinc/31/05/97/456310597.db2.gz HAKHGOIAAYTZDK-VNQPRFMTSA-N 2 1 330.394 3.379 20 0 EGADMP C[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340201359 456310601 /nfs/dbraw/zinc/31/06/01/456310601.db2.gz HAKHGOIAAYTZDK-VNQPRFMTSA-N 2 1 330.394 3.379 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)s1 ZINC000352792069 456312676 /nfs/dbraw/zinc/31/26/76/456312676.db2.gz QYTMYMIGXOWOOB-CJNGLKHVSA-N 2 1 325.522 3.136 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2cnccc2C)[C@H](C)C1 ZINC000290387393 456313097 /nfs/dbraw/zinc/31/30/97/456313097.db2.gz OJRNVDCGRFCBRJ-UYAOXDASSA-N 2 1 333.520 3.049 20 0 EGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000290416344 456322279 /nfs/dbraw/zinc/32/22/79/456322279.db2.gz KJVWLOPVEUBVCW-HKUYNNGSSA-N 2 1 338.455 3.185 20 0 EGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000290416344 456322283 /nfs/dbraw/zinc/32/22/83/456322283.db2.gz KJVWLOPVEUBVCW-HKUYNNGSSA-N 2 1 338.455 3.185 20 0 EGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000290416344 456322286 /nfs/dbraw/zinc/32/22/86/456322286.db2.gz KJVWLOPVEUBVCW-HKUYNNGSSA-N 2 1 338.455 3.185 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C[C@H]4CCCOC4)C3)C2)cc1 ZINC000342938286 456325372 /nfs/dbraw/zinc/32/53/72/456325372.db2.gz XCDNYUHGZVBSKV-RTWAWAEBSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C[C@H]4CCCOC4)C3)C2)cc1 ZINC000342938286 456325378 /nfs/dbraw/zinc/32/53/78/456325378.db2.gz XCDNYUHGZVBSKV-RTWAWAEBSA-N 2 1 328.500 3.401 20 0 EGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000298000858 456341027 /nfs/dbraw/zinc/34/10/27/456341027.db2.gz ZNHSKUWDHLVLOP-SFHVURJKSA-N 2 1 345.531 3.216 20 0 EGADMP CCOCc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1OC ZINC000290575891 456369816 /nfs/dbraw/zinc/36/98/16/456369816.db2.gz UDBMROJOQKTJSS-IBGZPJMESA-N 2 1 346.515 3.395 20 0 EGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccco3)CC2)c1C ZINC000290588560 456374842 /nfs/dbraw/zinc/37/48/42/456374842.db2.gz VCBZIBBNYGTZBG-UHFFFAOYSA-N 2 1 343.471 3.396 20 0 EGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccco3)CC2)c1C ZINC000290588560 456374852 /nfs/dbraw/zinc/37/48/52/456374852.db2.gz VCBZIBBNYGTZBG-UHFFFAOYSA-N 2 1 343.471 3.396 20 0 EGADMP CCCNC(=O)CCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000298239570 456400178 /nfs/dbraw/zinc/40/01/78/456400178.db2.gz SBBBLMZHFVZLMX-UHFFFAOYSA-N 2 1 345.531 3.137 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccncc1F ZINC000340350660 456408482 /nfs/dbraw/zinc/40/84/82/456408482.db2.gz QHVKMYDEKRMHGR-QAPCUYQASA-N 2 1 343.446 3.028 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccncc1F ZINC000340350660 456408487 /nfs/dbraw/zinc/40/84/87/456408487.db2.gz QHVKMYDEKRMHGR-QAPCUYQASA-N 2 1 343.446 3.028 20 0 EGADMP CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000337618199 456428868 /nfs/dbraw/zinc/42/88/68/456428868.db2.gz CPFKTAJPPFVFOP-MRXNPFEDSA-N 2 1 349.544 3.294 20 0 EGADMP COC[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1 ZINC000290847798 456444988 /nfs/dbraw/zinc/44/49/88/456444988.db2.gz ZGFVKQXVHMMVSQ-QAPCUYQASA-N 2 1 340.895 3.118 20 0 EGADMP COC[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cccc(Cl)c1 ZINC000290847798 456444994 /nfs/dbraw/zinc/44/49/94/456444994.db2.gz ZGFVKQXVHMMVSQ-QAPCUYQASA-N 2 1 340.895 3.118 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000348084836 456466919 /nfs/dbraw/zinc/46/69/19/456466919.db2.gz MEGDXOKRMWKLCW-KSZLIROESA-N 2 1 341.503 3.286 20 0 EGADMP CC[N@@H+](Cc1cn(C)nc1C(F)F)Cc1ccc(C[NH+](C)C)cc1 ZINC000291022108 456500660 /nfs/dbraw/zinc/50/06/60/456500660.db2.gz GYYLWIRNJSWRRR-UHFFFAOYSA-N 2 1 336.430 3.441 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC(=O)NC(C)(C)C)CC1 ZINC000340523392 456508206 /nfs/dbraw/zinc/50/82/06/456508206.db2.gz IGFOQYQPXRSRSF-UHFFFAOYSA-N 2 1 345.531 3.324 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc4c(c3)CC[NH2+]CC4)c2C1 ZINC000276579060 456520598 /nfs/dbraw/zinc/52/05/98/456520598.db2.gz IBEAGWHJWHTWNG-UHFFFAOYSA-N 2 1 349.478 3.353 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)c3ccc4c(c3)CC[NH2+]CC4)c2C1 ZINC000276579060 456520603 /nfs/dbraw/zinc/52/06/03/456520603.db2.gz IBEAGWHJWHTWNG-UHFFFAOYSA-N 2 1 349.478 3.353 20 0 EGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000282577950 456558575 /nfs/dbraw/zinc/55/85/75/456558575.db2.gz FVIXZXLOOKLLIA-SFHVURJKSA-N 2 1 341.503 3.094 20 0 EGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000282577950 456558582 /nfs/dbraw/zinc/55/85/82/456558582.db2.gz FVIXZXLOOKLLIA-SFHVURJKSA-N 2 1 341.503 3.094 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000276726848 456563311 /nfs/dbraw/zinc/56/33/11/456563311.db2.gz CGJAPODKYRTWOA-UHFFFAOYSA-N 2 1 334.670 3.459 20 0 EGADMP CC(C)(C)OC(=O)NCCC[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309740641 456575994 /nfs/dbraw/zinc/57/59/94/456575994.db2.gz RRJNGMXLXURMQG-GOSISDBHSA-N 2 1 347.503 3.013 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(C)(C)O ZINC000276963299 456632683 /nfs/dbraw/zinc/63/26/83/456632683.db2.gz WVSHQWVJVSGGMF-IBGZPJMESA-N 2 1 336.495 3.218 20 0 EGADMP c1ccc([C@H]2C[C@@H]2C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000348345875 456638328 /nfs/dbraw/zinc/63/83/28/456638328.db2.gz RCYGFKWDPKXTGE-FGZHOGPDSA-N 2 1 336.479 3.412 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000348353771 456644373 /nfs/dbraw/zinc/64/43/73/456644373.db2.gz IOCHGBAAAXUPCA-IAOVAPTHSA-N 2 1 327.428 3.173 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000326284939 456692248 /nfs/dbraw/zinc/69/22/48/456692248.db2.gz YVIIKAVCICXDLJ-IBGZPJMESA-N 2 1 337.552 3.255 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCc3c2c(F)ccc3F)C[C@H](C)O1 ZINC000338202330 456702898 /nfs/dbraw/zinc/70/28/98/456702898.db2.gz ZNUHOAOVTJMYBB-IYOUNJFTSA-N 2 1 338.442 3.431 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3COc4ccccc4C3)CC2)cc1 ZINC000328125179 456709323 /nfs/dbraw/zinc/70/93/23/456709323.db2.gz MHKPPMUCBXQDIB-NRFANRHFSA-N 2 1 336.479 3.287 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(OC)nn2)CC1)CC(C)C ZINC000338291833 456751906 /nfs/dbraw/zinc/75/19/06/456751906.db2.gz ZQHHGEHSXINAMG-UHFFFAOYSA-N 2 1 334.508 3.065 20 0 EGADMP COc1ccc([C@@H](O)C2CC[NH+](CCCn3cc[nH+]c3C)CC2)cc1 ZINC000291950636 456809062 /nfs/dbraw/zinc/80/90/62/456809062.db2.gz UNWFWNXTPULTIB-HXUWFJFHSA-N 2 1 343.471 3.036 20 0 EGADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)nn1C ZINC000283729408 456831423 /nfs/dbraw/zinc/83/14/23/456831423.db2.gz CBKCTVXEQMMNTJ-INIZCTEOSA-N 2 1 342.487 3.052 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C[N@@H+](Cc2ccccc2)C1 ZINC000344487360 456831627 /nfs/dbraw/zinc/83/16/27/456831627.db2.gz VIDYNMKKANAHQA-AYWYSENESA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[NH+](Cc2ccccc2)C1 ZINC000344487360 456831631 /nfs/dbraw/zinc/83/16/31/456831631.db2.gz VIDYNMKKANAHQA-AYWYSENESA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[NH+](Cc2ccccc2)C1 ZINC000344487360 456831637 /nfs/dbraw/zinc/83/16/37/456831637.db2.gz VIDYNMKKANAHQA-AYWYSENESA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CN(Cc2ccccc2)C1 ZINC000344487360 456831639 /nfs/dbraw/zinc/83/16/39/456831639.db2.gz VIDYNMKKANAHQA-AYWYSENESA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CN(Cc2ccccc2)C1 ZINC000344487360 456831643 /nfs/dbraw/zinc/83/16/43/456831643.db2.gz VIDYNMKKANAHQA-AYWYSENESA-N 2 1 327.516 3.113 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353753091 456891172 /nfs/dbraw/zinc/89/11/72/456891172.db2.gz VIFDGRGNBDLARF-UXHICEINSA-N 2 1 329.532 3.313 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353753091 456891176 /nfs/dbraw/zinc/89/11/76/456891176.db2.gz VIFDGRGNBDLARF-UXHICEINSA-N 2 1 329.532 3.313 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353753091 456891178 /nfs/dbraw/zinc/89/11/78/456891178.db2.gz VIFDGRGNBDLARF-UXHICEINSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cn1 ZINC000353842147 456931365 /nfs/dbraw/zinc/93/13/65/456931365.db2.gz MNXFCJXVPJPPIE-JTDSTZFVSA-N 2 1 337.483 3.397 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)CC(C)C ZINC000353845537 456932939 /nfs/dbraw/zinc/93/29/39/456932939.db2.gz OJUAKALPOLJABR-MOPGFXCFSA-N 2 1 333.520 3.162 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000349328731 456944250 /nfs/dbraw/zinc/94/42/50/456944250.db2.gz HETNTPZVEMILDJ-CQSZACIVSA-N 2 1 329.488 3.485 20 0 EGADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3[nH+]cnc4[nH]ccc43)cc2)C1 ZINC000339138918 456960049 /nfs/dbraw/zinc/96/00/49/456960049.db2.gz RBBVZDHWFYBOSU-HOTGVXAUSA-N 2 1 349.482 3.470 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(-n3nc(C)cc3C)cc2)[C@@H](C)C1 ZINC000345205324 456966817 /nfs/dbraw/zinc/96/68/17/456966817.db2.gz KACZCSNXUVPUQZ-HRAATJIYSA-N 2 1 340.515 3.352 20 0 EGADMP COc1cccc(OC(F)(F)F)c1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000353948572 456975714 /nfs/dbraw/zinc/97/57/14/456975714.db2.gz VUIBGVPUJADGQG-NEPJUHHUSA-N 2 1 332.366 3.166 20 0 EGADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C)c1ccccc1 ZINC000341890714 456988260 /nfs/dbraw/zinc/98/82/60/456988260.db2.gz QFMSBJWOWYSDJT-JYAXBFRTSA-N 3 1 347.547 3.014 20 0 EGADMP COCC[NH+](C)CC[C@H](N[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000341890714 456988264 /nfs/dbraw/zinc/98/82/64/456988264.db2.gz QFMSBJWOWYSDJT-JYAXBFRTSA-N 3 1 347.547 3.014 20 0 EGADMP COCC[NH+](C)CC[C@H](N[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000341890714 456988268 /nfs/dbraw/zinc/98/82/68/456988268.db2.gz QFMSBJWOWYSDJT-JYAXBFRTSA-N 3 1 347.547 3.014 20 0 EGADMP CSCc1cnc(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)s1 ZINC000339261672 457027171 /nfs/dbraw/zinc/02/71/71/457027171.db2.gz APAHHTSZXLJARC-UHFFFAOYSA-N 2 1 348.541 3.468 20 0 EGADMP COCC[C@H](Cc1ccco1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000346324814 457034452 /nfs/dbraw/zinc/03/44/52/457034452.db2.gz JVVXXIKZTLGADT-HXUWFJFHSA-N 2 1 342.483 3.481 20 0 EGADMP CC[C@H](C(=O)N(C)[C@H]1CC[NH+](CC)C[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000339280525 457037556 /nfs/dbraw/zinc/03/75/56/457037556.db2.gz HCGAKHQJVRLVMQ-SXLOBPIMSA-N 2 1 345.531 3.086 20 0 EGADMP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000339280525 457037564 /nfs/dbraw/zinc/03/75/64/457037564.db2.gz HCGAKHQJVRLVMQ-SXLOBPIMSA-N 2 1 345.531 3.086 20 0 EGADMP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000339280525 457037572 /nfs/dbraw/zinc/03/75/72/457037572.db2.gz HCGAKHQJVRLVMQ-SXLOBPIMSA-N 2 1 345.531 3.086 20 0 EGADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000346501110 457047268 /nfs/dbraw/zinc/04/72/68/457047268.db2.gz ZIEHLLMPGTZIRA-CXAGYDPISA-N 2 1 345.830 3.215 20 0 EGADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000346501110 457047273 /nfs/dbraw/zinc/04/72/73/457047273.db2.gz ZIEHLLMPGTZIRA-CXAGYDPISA-N 2 1 345.830 3.215 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000354100644 457062076 /nfs/dbraw/zinc/06/20/76/457062076.db2.gz OMPGCUNGLFDGHM-LJQANCHMSA-N 2 1 341.499 3.476 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC[NH+](C(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000339390789 457088083 /nfs/dbraw/zinc/08/80/83/457088083.db2.gz HPDHZDCVCWPHTC-UXHICEINSA-N 2 1 345.531 3.134 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[NH+](C)Cc1ccccc1 ZINC000339390789 457088084 /nfs/dbraw/zinc/08/80/84/457088084.db2.gz HPDHZDCVCWPHTC-UXHICEINSA-N 2 1 345.531 3.134 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[NH+](C)Cc1ccccc1 ZINC000339390789 457088085 /nfs/dbraw/zinc/08/80/85/457088085.db2.gz HPDHZDCVCWPHTC-UXHICEINSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)OCC[C@@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000349881060 457092314 /nfs/dbraw/zinc/09/23/14/457092314.db2.gz LHVWOZNCEPWKEF-AZUAARDMSA-N 2 1 340.552 3.139 20 0 EGADMP COc1ccccc1-c1nc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cs1 ZINC000342080690 457097337 /nfs/dbraw/zinc/09/73/37/457097337.db2.gz GXDMGHATGXYSBP-XKQJLSEDSA-N 2 1 343.496 3.378 20 0 EGADMP COc1ccccc1-c1nc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cs1 ZINC000342080690 457097342 /nfs/dbraw/zinc/09/73/42/457097342.db2.gz GXDMGHATGXYSBP-XKQJLSEDSA-N 2 1 343.496 3.378 20 0 EGADMP c1cnn(-c2ncccc2C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000356675668 457113505 /nfs/dbraw/zinc/11/35/05/457113505.db2.gz CIWUGFUPEVHVJX-UHFFFAOYSA-N 2 1 339.487 3.154 20 0 EGADMP COC(=O)c1ccc(Cl)c(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339435820 457118314 /nfs/dbraw/zinc/11/83/14/457118314.db2.gz DNRIGDJRKYCNAA-GOSISDBHSA-N 2 1 336.863 3.044 20 0 EGADMP COc1ccc2nc(CN3CC[C@@]4(C3)CCC[N@@H+](C)C4)sc2c1 ZINC000339437506 457118436 /nfs/dbraw/zinc/11/84/36/457118436.db2.gz KVTLBCLWFQXIMC-SFHVURJKSA-N 2 1 331.485 3.223 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2Cl)C[C@@H]1C ZINC000354209669 457133021 /nfs/dbraw/zinc/13/30/21/457133021.db2.gz RENSFQVQNWGUJD-LSDHHAIUSA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2Cl)C[C@@H]1C ZINC000354209669 457133024 /nfs/dbraw/zinc/13/30/24/457133024.db2.gz RENSFQVQNWGUJD-LSDHHAIUSA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2Cl)C[C@@H]1C ZINC000354209669 457133027 /nfs/dbraw/zinc/13/30/27/457133027.db2.gz RENSFQVQNWGUJD-LSDHHAIUSA-N 2 1 337.895 3.473 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2Cl)C[C@H]1C ZINC000354209666 457133048 /nfs/dbraw/zinc/13/30/48/457133048.db2.gz RENSFQVQNWGUJD-CABCVRRESA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2Cl)C[C@H]1C ZINC000354209666 457133051 /nfs/dbraw/zinc/13/30/51/457133051.db2.gz RENSFQVQNWGUJD-CABCVRRESA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2Cl)C[C@H]1C ZINC000354209666 457133056 /nfs/dbraw/zinc/13/30/56/457133056.db2.gz RENSFQVQNWGUJD-CABCVRRESA-N 2 1 337.895 3.473 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000360023630 457209475 /nfs/dbraw/zinc/20/94/75/457209475.db2.gz LANBPXAWVSNVTN-MPGHIAIKSA-N 2 1 332.492 3.350 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000360023630 457209478 /nfs/dbraw/zinc/20/94/78/457209478.db2.gz LANBPXAWVSNVTN-MPGHIAIKSA-N 2 1 332.492 3.350 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000347067335 457213713 /nfs/dbraw/zinc/21/37/13/457213713.db2.gz MLICNAWXOTYKFP-KGLIPLIRSA-N 2 1 332.879 3.300 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000347067335 457213716 /nfs/dbraw/zinc/21/37/16/457213716.db2.gz MLICNAWXOTYKFP-KGLIPLIRSA-N 2 1 332.879 3.300 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C3CC(C(F)(F)F)C3)sc2C1 ZINC000342290422 457216860 /nfs/dbraw/zinc/21/68/60/457216860.db2.gz DAGXXSOYRMPMNI-UHFFFAOYSA-N 2 1 333.423 3.340 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C3CC(C(F)(F)F)C3)sc2C1 ZINC000342290422 457216864 /nfs/dbraw/zinc/21/68/64/457216864.db2.gz DAGXXSOYRMPMNI-UHFFFAOYSA-N 2 1 333.423 3.340 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347141300 457252941 /nfs/dbraw/zinc/25/29/41/457252941.db2.gz WEFBDNZJBLNQAK-UKRRQHHQSA-N 2 1 332.879 3.393 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000351615995 457307181 /nfs/dbraw/zinc/30/71/81/457307181.db2.gz PILNHUZMTTYOKD-QZTJIDSGSA-N 2 1 345.535 3.058 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000351615995 457307187 /nfs/dbraw/zinc/30/71/87/457307187.db2.gz PILNHUZMTTYOKD-QZTJIDSGSA-N 2 1 345.535 3.058 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000351615995 457307192 /nfs/dbraw/zinc/30/71/92/457307192.db2.gz PILNHUZMTTYOKD-QZTJIDSGSA-N 2 1 345.535 3.058 20 0 EGADMP C[N@@H+](CCOCC[NH3+])[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000357081895 457312558 /nfs/dbraw/zinc/31/25/58/457312558.db2.gz NUDLYGLDXMCVMO-GOSISDBHSA-N 2 1 336.838 3.476 20 0 EGADMP CCn1c2ccc(F)cc2nc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357088003 457315263 /nfs/dbraw/zinc/31/52/63/457315263.db2.gz NRMOEEOVDNRZEW-HNNXBMFYSA-N 2 1 330.451 3.017 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000351849194 457319543 /nfs/dbraw/zinc/31/95/43/457319543.db2.gz GELCKOBTQAVWPE-NBOOPKSLSA-N 2 1 339.483 3.075 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000351849194 457319548 /nfs/dbraw/zinc/31/95/48/457319548.db2.gz GELCKOBTQAVWPE-NBOOPKSLSA-N 2 1 339.483 3.075 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CC3 ZINC000360613788 457321801 /nfs/dbraw/zinc/32/18/01/457321801.db2.gz NBRIFCFGDXGTPV-RBSFLKMASA-N 2 1 327.472 3.106 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CC3 ZINC000360613788 457321803 /nfs/dbraw/zinc/32/18/03/457321803.db2.gz NBRIFCFGDXGTPV-RBSFLKMASA-N 2 1 327.472 3.106 20 0 EGADMP CC1CC[NH+](Cc2ccc(CNc3[nH+]cnc4[nH]ccc43)cc2)CC1 ZINC000357110968 457328838 /nfs/dbraw/zinc/32/88/38/457328838.db2.gz LTTKMNZKWOXEMU-UHFFFAOYSA-N 2 1 335.455 3.224 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000340115208 457337274 /nfs/dbraw/zinc/33/72/74/457337274.db2.gz KVPSYLJWPMXVPC-WOJBJXKFSA-N 2 1 345.531 3.300 20 0 EGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000352489183 457409193 /nfs/dbraw/zinc/40/91/93/457409193.db2.gz YNMFFEVNIMQTSJ-IBGZPJMESA-N 2 1 325.456 3.364 20 0 EGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000352488821 457409499 /nfs/dbraw/zinc/40/94/99/457409499.db2.gz VBFNDRQBMKOFCN-ZDUSSCGKSA-N 2 1 327.831 3.011 20 0 EGADMP C[N@@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382757564 457422476 /nfs/dbraw/zinc/42/24/76/457422476.db2.gz RCSHMGPCTAGABY-NRFANRHFSA-N 3 1 329.532 3.220 20 0 EGADMP C[NH+](CCCC1CC[NH2+]CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382757564 457422481 /nfs/dbraw/zinc/42/24/81/457422481.db2.gz RCSHMGPCTAGABY-NRFANRHFSA-N 3 1 329.532 3.220 20 0 EGADMP C[NH+](CCCC1CC[NH2+]CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382757564 457422493 /nfs/dbraw/zinc/42/24/93/457422493.db2.gz RCSHMGPCTAGABY-NRFANRHFSA-N 3 1 329.532 3.220 20 0 EGADMP C[N@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000382757564 457422500 /nfs/dbraw/zinc/42/25/00/457422500.db2.gz RCSHMGPCTAGABY-NRFANRHFSA-N 2 1 329.532 3.220 20 0 EGADMP C[N@@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000382757564 457422507 /nfs/dbraw/zinc/42/25/07/457422507.db2.gz RCSHMGPCTAGABY-NRFANRHFSA-N 2 1 329.532 3.220 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000382730490 457424017 /nfs/dbraw/zinc/42/40/17/457424017.db2.gz ANAVXDGFVROXOW-QUCCMNQESA-N 2 1 345.531 3.121 20 0 EGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000357308093 457437055 /nfs/dbraw/zinc/43/70/55/457437055.db2.gz PIGPWHJZCSAQHS-UHFFFAOYSA-N 2 1 348.535 3.321 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000390809071 457441748 /nfs/dbraw/zinc/44/17/48/457441748.db2.gz PRMZYNFNEJGZJX-HZPDHXFCSA-N 2 1 327.513 3.001 20 0 EGADMP CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000347461535 457443903 /nfs/dbraw/zinc/44/39/03/457443903.db2.gz VZVQONMQWSNETM-VQIMIIECSA-N 2 1 331.504 3.195 20 0 EGADMP Clc1cccc2c1OCCC[C@@H]2NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363782280 457445237 /nfs/dbraw/zinc/44/52/37/457445237.db2.gz KNAINJMJLLBLPD-CPUCHLNUSA-N 2 1 336.863 3.007 20 0 EGADMP CCCOc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OCC ZINC000352535641 457446499 /nfs/dbraw/zinc/44/64/99/457446499.db2.gz TWDNRCGMZRXMLT-HXUWFJFHSA-N 2 1 332.488 3.450 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OCC ZINC000352535641 457446502 /nfs/dbraw/zinc/44/65/02/457446502.db2.gz TWDNRCGMZRXMLT-HXUWFJFHSA-N 2 1 332.488 3.450 20 0 EGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC[C@@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000347472548 457451971 /nfs/dbraw/zinc/45/19/71/457451971.db2.gz ZZPGZIYYUNXGHQ-NSHGMRRFSA-N 2 1 338.536 3.157 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000360946082 457452951 /nfs/dbraw/zinc/45/29/51/457452951.db2.gz HINJAKYIFAUDCV-VQTJNVASSA-N 2 1 345.531 3.379 20 0 EGADMP C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392260541 457457409 /nfs/dbraw/zinc/45/74/09/457457409.db2.gz GNUKYOQITBCOTK-DOTOQJQBSA-N 2 1 337.508 3.016 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NCc1ccccc1 ZINC000360959637 457466902 /nfs/dbraw/zinc/46/69/02/457466902.db2.gz XOFMFKSJQTVLGB-YZGWKJHDSA-N 2 1 345.531 3.182 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NCc1ccccc1 ZINC000360959636 457467750 /nfs/dbraw/zinc/46/77/50/457467750.db2.gz XOFMFKSJQTVLGB-YSIASYRMSA-N 2 1 345.531 3.182 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](CCC(=O)Nc3ccccc3Cl)C2)CC1 ZINC000374074436 457470675 /nfs/dbraw/zinc/47/06/75/457470675.db2.gz KOTXBFWJOASSLY-UHFFFAOYSA-N 2 1 349.906 3.476 20 0 EGADMP CN(C(=O)c1ccc2c(c1)C[NH2+]C2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000347529621 457487497 /nfs/dbraw/zinc/48/74/97/457487497.db2.gz NEYHFTRRMZUBKE-NRFANRHFSA-N 2 1 349.478 3.026 20 0 EGADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179227 457510695 /nfs/dbraw/zinc/51/06/95/457510695.db2.gz RGNFMXQTSUQCCX-GOSISDBHSA-N 2 1 343.515 3.438 20 0 EGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)c(Br)c1 ZINC000401806904 457529461 /nfs/dbraw/zinc/52/94/61/457529461.db2.gz QPZQXZAMGDBTJI-JTQLQIEISA-N 2 1 326.213 3.215 20 0 EGADMP Cc1ccc2nc(CN3CC[N@H+](Cc4ccccc4)C[C@H]3C)cn2c1 ZINC000342789683 457531070 /nfs/dbraw/zinc/53/10/70/457531070.db2.gz LSCRHDKBVVXDAO-GOSISDBHSA-N 2 1 334.467 3.349 20 0 EGADMP Cc1ccc2nc(CN3CCN(Cc4ccccc4)C[C@H]3C)cn2c1 ZINC000342789683 457531078 /nfs/dbraw/zinc/53/10/78/457531078.db2.gz LSCRHDKBVVXDAO-GOSISDBHSA-N 2 1 334.467 3.349 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)cc1)C(C)C ZINC000361080439 457570463 /nfs/dbraw/zinc/57/04/63/457570463.db2.gz NYOIEWDXEGXXPG-WOJBJXKFSA-N 2 1 343.515 3.035 20 0 EGADMP CC[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000347649913 457574320 /nfs/dbraw/zinc/57/43/20/457574320.db2.gz NDNTXTBCNZFRMM-RBUKOAKNSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccc([C@H](CC(=O)OC(C)C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000361094557 457579147 /nfs/dbraw/zinc/57/91/47/457579147.db2.gz CVPMYCIHYIOJRN-MOPGFXCFSA-N 2 1 332.488 3.452 20 0 EGADMP Cc1ccc([C@H](CC(=O)OC(C)C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC000361094557 457579151 /nfs/dbraw/zinc/57/91/51/457579151.db2.gz CVPMYCIHYIOJRN-MOPGFXCFSA-N 2 1 332.488 3.452 20 0 EGADMP C[C@H]([NH2+]Cc1cn(C)nc1C(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000361125131 457596387 /nfs/dbraw/zinc/59/63/87/457596387.db2.gz VHUIPALNWFUBSJ-STQMWFEESA-N 2 1 326.435 3.100 20 0 EGADMP C[C@H]([NH2+]Cc1cn(C)nc1C(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000361125131 457596392 /nfs/dbraw/zinc/59/63/92/457596392.db2.gz VHUIPALNWFUBSJ-STQMWFEESA-N 2 1 326.435 3.100 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc2ccccc2c1 ZINC000361165906 457624664 /nfs/dbraw/zinc/62/46/64/457624664.db2.gz ZIRASDYHYFXMKE-JXFKEZNVSA-N 2 1 339.483 3.078 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)NC(C)(C)C)cc1 ZINC000358136369 457808648 /nfs/dbraw/zinc/80/86/48/457808648.db2.gz TWMOVQCMCCIEDI-CQSZACIVSA-N 2 1 328.460 3.136 20 0 EGADMP CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411193820 457826900 /nfs/dbraw/zinc/82/69/00/457826900.db2.gz FQHYBLAGUJUFNZ-OAQYLSRUSA-N 2 1 343.515 3.021 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000444226013 457869974 /nfs/dbraw/zinc/86/99/74/457869974.db2.gz OAZQRRFQOIXRAW-KRWDZBQOSA-N 2 1 347.478 3.413 20 0 EGADMP Cc1oncc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000366616340 457870942 /nfs/dbraw/zinc/87/09/42/457870942.db2.gz OKBMSHYLPRUIOU-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000371329256 457870865 /nfs/dbraw/zinc/87/08/65/457870865.db2.gz GLSSSXVZEKCEMK-UHFFFAOYSA-N 2 1 346.519 3.086 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000371329256 457870871 /nfs/dbraw/zinc/87/08/71/457870871.db2.gz GLSSSXVZEKCEMK-UHFFFAOYSA-N 2 1 346.519 3.086 20 0 EGADMP C[C@H](O)CC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000411402016 457875133 /nfs/dbraw/zinc/87/51/33/457875133.db2.gz YXFSEHDTKXWLQU-AWEZNQCLSA-N 2 1 344.421 3.373 20 0 EGADMP C[C@H](O)CC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000411402016 457875140 /nfs/dbraw/zinc/87/51/40/457875140.db2.gz YXFSEHDTKXWLQU-AWEZNQCLSA-N 2 1 344.421 3.373 20 0 EGADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2nnnn2C2CC2)CC1)CC(C)C ZINC000361860383 457913903 /nfs/dbraw/zinc/91/39/03/457913903.db2.gz MCPQTRVKAQJRKC-INIZCTEOSA-N 2 1 348.539 3.149 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2nnnn2C2CC2)CC1)CC(C)C ZINC000361860383 457913909 /nfs/dbraw/zinc/91/39/09/457913909.db2.gz MCPQTRVKAQJRKC-INIZCTEOSA-N 2 1 348.539 3.149 20 0 EGADMP OCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccco1 ZINC000411545062 457915431 /nfs/dbraw/zinc/91/54/31/457915431.db2.gz PSKKJMNPLLWGRC-IBGZPJMESA-N 2 1 328.456 3.479 20 0 EGADMP CC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H](O)C(F)(F)F ZINC000411572555 457921647 /nfs/dbraw/zinc/92/16/47/457921647.db2.gz REDGBXCROBUGNS-KRWDZBQOSA-N 2 1 344.421 3.418 20 0 EGADMP CC[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H](O)C(F)(F)F ZINC000411572555 457921656 /nfs/dbraw/zinc/92/16/56/457921656.db2.gz REDGBXCROBUGNS-KRWDZBQOSA-N 2 1 344.421 3.418 20 0 EGADMP CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000358321831 457932531 /nfs/dbraw/zinc/93/25/31/457932531.db2.gz RZOVAUWUKHCJSP-IPELMVKDSA-N 2 1 332.488 3.114 20 0 EGADMP CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC1)CC(C)C ZINC000427068585 457940175 /nfs/dbraw/zinc/94/01/75/457940175.db2.gz BAHYQLBNLWSJAH-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1)CC(C)C ZINC000427068585 457940180 /nfs/dbraw/zinc/94/01/80/457940180.db2.gz BAHYQLBNLWSJAH-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1)CC(C)C ZINC000427068585 457940184 /nfs/dbraw/zinc/94/01/84/457940184.db2.gz BAHYQLBNLWSJAH-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(OC)c2)[C@@H](C)C1 ZINC000358343746 457947145 /nfs/dbraw/zinc/94/71/45/457947145.db2.gz UFTNQOWMRCRXMZ-PXNSSMCTSA-N 2 1 334.504 3.230 20 0 EGADMP c1ncc(CC[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000411749188 457968736 /nfs/dbraw/zinc/96/87/36/457968736.db2.gz UYQRGZBJACCRIY-QZTJIDSGSA-N 2 1 327.497 3.140 20 0 EGADMP c1ncc(CC[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000411749188 457968743 /nfs/dbraw/zinc/96/87/43/457968743.db2.gz UYQRGZBJACCRIY-QZTJIDSGSA-N 2 1 327.497 3.140 20 0 EGADMP c1ncc(CC[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000411749188 457968752 /nfs/dbraw/zinc/96/87/52/457968752.db2.gz UYQRGZBJACCRIY-QZTJIDSGSA-N 2 1 327.497 3.140 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)[C@H](C)C1 ZINC000358395802 457975328 /nfs/dbraw/zinc/97/53/28/457975328.db2.gz INQJMYWCDGNCAF-FUMNGEBKSA-N 2 1 340.552 3.164 20 0 EGADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000367816331 457983338 /nfs/dbraw/zinc/98/33/38/457983338.db2.gz SPHXPDSXENYDTG-AEFFLSMTSA-N 2 1 336.520 3.305 20 0 EGADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000367816331 457983341 /nfs/dbraw/zinc/98/33/41/457983341.db2.gz SPHXPDSXENYDTG-AEFFLSMTSA-N 2 1 336.520 3.305 20 0 EGADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000367816331 457983347 /nfs/dbraw/zinc/98/33/47/457983347.db2.gz SPHXPDSXENYDTG-AEFFLSMTSA-N 2 1 336.520 3.305 20 0 EGADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000367894710 457992631 /nfs/dbraw/zinc/99/26/31/457992631.db2.gz FNLCLYNGMYBEJH-IMJJTQAJSA-N 2 1 334.426 3.483 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358508219 458046629 /nfs/dbraw/zinc/04/66/29/458046629.db2.gz OTQBKEXOGLYXQY-UHFFFAOYSA-N 2 1 329.488 3.132 20 0 EGADMP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)Cc1ccc3ccccc3c1)CC2 ZINC000369128904 458092611 /nfs/dbraw/zinc/09/26/11/458092611.db2.gz ZHPSASAHYNHASN-OAQYLSRUSA-N 2 1 338.495 3.303 20 0 EGADMP C[N@H+]1CCCC12CC[NH+](C[C@H](O)Cc1ccc3ccccc3c1)CC2 ZINC000369128904 458092616 /nfs/dbraw/zinc/09/26/16/458092616.db2.gz ZHPSASAHYNHASN-OAQYLSRUSA-N 2 1 338.495 3.303 20 0 EGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc2ccccc2nc1N1CCCCC1 ZINC000435375218 458125323 /nfs/dbraw/zinc/12/53/23/458125323.db2.gz UCEVOBCVCGTPPT-IRXDYDNUSA-N 2 1 338.499 3.394 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000435377288 458126877 /nfs/dbraw/zinc/12/68/77/458126877.db2.gz ZWMNFSCFORBSOK-DYVFJYSZSA-N 2 1 346.906 3.371 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000435382584 458129809 /nfs/dbraw/zinc/12/98/09/458129809.db2.gz ARPCZCVUTYUKHE-INIZCTEOSA-N 2 1 326.488 3.211 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000435382584 458129819 /nfs/dbraw/zinc/12/98/19/458129819.db2.gz ARPCZCVUTYUKHE-INIZCTEOSA-N 2 1 326.488 3.211 20 0 EGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000435382237 458129934 /nfs/dbraw/zinc/12/99/34/458129934.db2.gz CKBZBPPNHGKWOD-OAHLLOKOSA-N 2 1 332.879 3.184 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000435382237 458129939 /nfs/dbraw/zinc/12/99/39/458129939.db2.gz CKBZBPPNHGKWOD-OAHLLOKOSA-N 2 1 332.879 3.184 20 0 EGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000435382585 458130701 /nfs/dbraw/zinc/13/07/01/458130701.db2.gz ARPCZCVUTYUKHE-MRXNPFEDSA-N 2 1 326.488 3.211 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000435382585 458130705 /nfs/dbraw/zinc/13/07/05/458130705.db2.gz ARPCZCVUTYUKHE-MRXNPFEDSA-N 2 1 326.488 3.211 20 0 EGADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435384264 458131078 /nfs/dbraw/zinc/13/10/78/458131078.db2.gz LICRIDDXHUSQKU-KRWDZBQOSA-N 2 1 338.499 3.396 20 0 EGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435384264 458131080 /nfs/dbraw/zinc/13/10/80/458131080.db2.gz LICRIDDXHUSQKU-KRWDZBQOSA-N 2 1 338.499 3.396 20 0 EGADMP CCOc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc(Cl)c1OC ZINC000435446085 458149211 /nfs/dbraw/zinc/14/92/11/458149211.db2.gz JGRAWVZUJSCUDV-AWEZNQCLSA-N 2 1 326.868 3.321 20 0 EGADMP CCN(C(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1)[C@@H](C)c1ccc(F)cc1 ZINC000435626059 458176044 /nfs/dbraw/zinc/17/60/44/458176044.db2.gz NIPVQOWIAOPJAO-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CCN(C(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1)[C@@H](C)c1ccc(F)cc1 ZINC000435626059 458176050 /nfs/dbraw/zinc/17/60/50/458176050.db2.gz NIPVQOWIAOPJAO-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP c1cc(C[N@H+](CCc2cccnc2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435690268 458185643 /nfs/dbraw/zinc/18/56/43/458185643.db2.gz AARDXKKLFAQPHS-SFHVURJKSA-N 2 1 327.497 3.330 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCCc2nc(C)no2)CC1)CC(C)C ZINC000358751154 458193070 /nfs/dbraw/zinc/19/30/70/458193070.db2.gz MXKKNWDGVZRENQ-UHFFFAOYSA-N 2 1 336.524 3.391 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)cc2)C1 ZINC000435892087 458219228 /nfs/dbraw/zinc/21/92/28/458219228.db2.gz JFPCEJLKPGWIFI-HGHGUNKESA-N 2 1 341.499 3.247 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000376204038 458232150 /nfs/dbraw/zinc/23/21/50/458232150.db2.gz VQMBNMSQQAJINN-NQIIRXRSSA-N 2 1 343.559 3.442 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(C)cn2)CC1 ZINC000447155661 458269093 /nfs/dbraw/zinc/26/90/93/458269093.db2.gz GVWRJISZWCXXCO-UHFFFAOYSA-N 2 1 346.519 3.163 20 0 EGADMP COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000436295915 458284016 /nfs/dbraw/zinc/28/40/16/458284016.db2.gz IFEBBIHUTIVHGF-APWZRJJASA-N 2 1 331.504 3.408 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(C)CC1CCCCC1 ZINC000429240898 458296703 /nfs/dbraw/zinc/29/67/03/458296703.db2.gz KIDIZVUNKGXWRY-UHFFFAOYSA-N 2 1 348.535 3.196 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C)CC1CCCCC1 ZINC000429240898 458296708 /nfs/dbraw/zinc/29/67/08/458296708.db2.gz KIDIZVUNKGXWRY-UHFFFAOYSA-N 2 1 348.535 3.196 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(CC)C1CCCCC1 ZINC000429246285 458298119 /nfs/dbraw/zinc/29/81/19/458298119.db2.gz NHQAFOMBEOCBSP-UHFFFAOYSA-N 2 1 348.535 3.339 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(CC)C1CCCCC1 ZINC000429246285 458298122 /nfs/dbraw/zinc/29/81/22/458298122.db2.gz NHQAFOMBEOCBSP-UHFFFAOYSA-N 2 1 348.535 3.339 20 0 EGADMP Cc1cc(F)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000459306774 458322785 /nfs/dbraw/zinc/32/27/85/458322785.db2.gz RHJYZVPVCUIOSV-UHFFFAOYSA-N 2 1 340.870 3.332 20 0 EGADMP O=C(CCC[NH2+]C1CC[NH+](C2CC2)CC1)Nc1ccc(Cl)cc1 ZINC000459379546 458350741 /nfs/dbraw/zinc/35/07/41/458350741.db2.gz YFENSPKSXQSAJQ-UHFFFAOYSA-N 2 1 335.879 3.275 20 0 EGADMP CS[C@H]1CCCC[N@@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000429681574 458357242 /nfs/dbraw/zinc/35/72/42/458357242.db2.gz CQVQEABFDFMWKJ-UXHICEINSA-N 2 1 348.556 3.495 20 0 EGADMP CN1CC[C@@H](C[N@@H+](C)CCOCC2CCCC2)[C@@H]1c1cccnc1 ZINC000459410412 458362367 /nfs/dbraw/zinc/36/23/67/458362367.db2.gz IHCGVRJYYMAQPP-PMACEKPBSA-N 2 1 331.504 3.213 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)[C@H]1SC ZINC000459469947 458383044 /nfs/dbraw/zinc/38/30/44/458383044.db2.gz TVGAOQSBJOTMJQ-AGTSVGGPSA-N 2 1 326.550 3.138 20 0 EGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423457298 458435230 /nfs/dbraw/zinc/43/52/30/458435230.db2.gz IFDBHNRRRHOOKF-MJBMTWDVSA-N 3 1 339.527 3.288 20 0 EGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000423457298 458435236 /nfs/dbraw/zinc/43/52/36/458435236.db2.gz IFDBHNRRRHOOKF-MJBMTWDVSA-N 2 1 339.527 3.288 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)c2ccccc21 ZINC000423497598 458443367 /nfs/dbraw/zinc/44/33/67/458443367.db2.gz HAEHFPDBFVXVPD-QYZOEREBSA-N 2 1 330.472 3.275 20 0 EGADMP Fc1cccc(C[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2cccc(F)c2)c1 ZINC000423494445 458443733 /nfs/dbraw/zinc/44/37/33/458443733.db2.gz SBLUFRBTRJLEMA-PMACEKPBSA-N 2 1 346.421 3.217 20 0 EGADMP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccc1F ZINC000423551581 458455894 /nfs/dbraw/zinc/45/58/94/458455894.db2.gz GFPOHYWOYJPEQL-KRWDZBQOSA-N 2 1 341.474 3.470 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000459743174 458466602 /nfs/dbraw/zinc/46/66/02/458466602.db2.gz WUEAWKBRINSVCJ-GOSISDBHSA-N 2 1 339.483 3.482 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1)c1ccc2ccccc2c1 ZINC000430616740 458471738 /nfs/dbraw/zinc/47/17/38/458471738.db2.gz HINNWCSEANQNNN-YESZJQIVSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1)c1ccc2ccccc2c1 ZINC000430616740 458471740 /nfs/dbraw/zinc/47/17/40/458471740.db2.gz HINNWCSEANQNNN-YESZJQIVSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000423735872 458477319 /nfs/dbraw/zinc/47/73/19/458477319.db2.gz XPTGARWVUPHGSB-RHQZKXFESA-N 2 1 335.536 3.148 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CN(Cc2ccccc2)C1 ZINC000459794404 458481273 /nfs/dbraw/zinc/48/12/73/458481273.db2.gz UPNIEDPUGJAKLE-GIVPXCGWSA-N 2 1 329.532 3.219 20 0 EGADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000423826190 458492232 /nfs/dbraw/zinc/49/22/32/458492232.db2.gz MJNMMQFDNDWGFG-LSTDLKDCSA-N 2 1 349.906 3.109 20 0 EGADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000423826190 458492234 /nfs/dbraw/zinc/49/22/34/458492234.db2.gz MJNMMQFDNDWGFG-LSTDLKDCSA-N 2 1 349.906 3.109 20 0 EGADMP CCCCOc1ccccc1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000468395307 458515720 /nfs/dbraw/zinc/51/57/20/458515720.db2.gz YZQTWFSXEQOGND-LJQANCHMSA-N 2 1 346.515 3.410 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C[NH3+])C2CCCC2)cc1)C(C)C ZINC000423954384 458521902 /nfs/dbraw/zinc/52/19/02/458521902.db2.gz JZWGKAXBTLSXAV-LJQANCHMSA-N 2 1 331.504 3.164 20 0 EGADMP CCC[N@H+](CC(=O)N(C1CC1)C1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000431100346 458530043 /nfs/dbraw/zinc/53/00/43/458530043.db2.gz UVTFOFIMJYLMOF-UHFFFAOYSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@@H+](CC(=O)N(C1CC1)C1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000431100346 458530048 /nfs/dbraw/zinc/53/00/48/458530048.db2.gz UVTFOFIMJYLMOF-UHFFFAOYSA-N 2 1 335.536 3.020 20 0 EGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000438127628 458538668 /nfs/dbraw/zinc/53/86/68/458538668.db2.gz MVHYXTRZNAUNCS-UHFFFAOYSA-N 2 1 341.484 3.326 20 0 EGADMP CC[C@H]1CN(c2cc(C)c3ccc(C)cc3n2)CC[N@H+]1C[C@@H](C)O ZINC000460943599 458541531 /nfs/dbraw/zinc/54/15/31/458541531.db2.gz MZYQTJCJPBAYMQ-SJORKVTESA-N 2 1 327.472 3.133 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000424080426 458553388 /nfs/dbraw/zinc/55/33/88/458553388.db2.gz VOPMIVPWCWDUGP-ZWOKBUDYSA-N 2 1 345.531 3.364 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cncn3C(C)C)CC2)oc1C ZINC000424145980 458570728 /nfs/dbraw/zinc/57/07/28/458570728.db2.gz OMUNCXBYSTUODN-UHFFFAOYSA-N 2 1 345.491 3.071 20 0 EGADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424159947 458574047 /nfs/dbraw/zinc/57/40/47/458574047.db2.gz WJCHVJIERNRVLY-RBUKOAKNSA-N 2 1 346.519 3.260 20 0 EGADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)Cc1ccccc1 ZINC000438581448 458602868 /nfs/dbraw/zinc/60/28/68/458602868.db2.gz QUSROELOSGPRCR-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)Cc1ccccc1 ZINC000438581448 458602873 /nfs/dbraw/zinc/60/28/73/458602873.db2.gz QUSROELOSGPRCR-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)Cc1ccccc1 ZINC000438581448 458602881 /nfs/dbraw/zinc/60/28/81/458602881.db2.gz QUSROELOSGPRCR-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)ccc2o1 ZINC000424284105 458604052 /nfs/dbraw/zinc/60/40/52/458604052.db2.gz CIUIIXFDPXNGMI-CQSZACIVSA-N 2 1 342.439 3.183 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1coc(-c3cccc(F)c3)n1)CC[NH2+]CC2 ZINC000424296592 458608420 /nfs/dbraw/zinc/60/84/20/458608420.db2.gz RZIMRBPGPPWTGH-AWEZNQCLSA-N 2 1 329.419 3.445 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(I)cc1 ZINC000424381047 458630173 /nfs/dbraw/zinc/63/01/73/458630173.db2.gz YCGQXLUYFOPAFH-LERXQTSPSA-N 2 1 344.240 3.212 20 0 EGADMP CCCn1c2ccccc2nc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424383744 458630208 /nfs/dbraw/zinc/63/02/08/458630208.db2.gz ULZKVYYMHBTLPL-INIZCTEOSA-N 2 1 326.488 3.410 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH+]3C3CC3)cc2)C1 ZINC000494349263 458662146 /nfs/dbraw/zinc/66/21/46/458662146.db2.gz LFUBOAKKXGSDAN-OXJNMPFZSA-N 2 1 341.499 3.484 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)cc2)C1 ZINC000494349263 458662153 /nfs/dbraw/zinc/66/21/53/458662153.db2.gz LFUBOAKKXGSDAN-OXJNMPFZSA-N 2 1 341.499 3.484 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)cc2)C1 ZINC000494349263 458662159 /nfs/dbraw/zinc/66/21/59/458662159.db2.gz LFUBOAKKXGSDAN-OXJNMPFZSA-N 2 1 341.499 3.484 20 0 EGADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000463237028 458685694 /nfs/dbraw/zinc/68/56/94/458685694.db2.gz KWQYYMNJYGECHI-OAQYLSRUSA-N 2 1 343.559 3.404 20 0 EGADMP CN1CCCC(C)(C)[C@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463237028 458685700 /nfs/dbraw/zinc/68/57/00/458685700.db2.gz KWQYYMNJYGECHI-OAQYLSRUSA-N 2 1 343.559 3.404 20 0 EGADMP OCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000471576640 458699224 /nfs/dbraw/zinc/69/92/24/458699224.db2.gz DIUGTQPXNFOFKO-NJDAHSKKSA-N 2 1 342.527 3.429 20 0 EGADMP CCCCNC(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711864 458814696 /nfs/dbraw/zinc/81/46/96/458814696.db2.gz JXHHDUSXFPBJNJ-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP CCCCNC(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711864 458814707 /nfs/dbraw/zinc/81/47/07/458814707.db2.gz JXHHDUSXFPBJNJ-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP CCCCNC(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711864 458814711 /nfs/dbraw/zinc/81/47/11/458814711.db2.gz JXHHDUSXFPBJNJ-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP CCCCNC(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711864 458814719 /nfs/dbraw/zinc/81/47/19/458814719.db2.gz JXHHDUSXFPBJNJ-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495337093 458837568 /nfs/dbraw/zinc/83/75/68/458837568.db2.gz OXPFYZKWUWTXDI-IBGZPJMESA-N 2 1 339.524 3.051 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@H](C)c3ccccc3F)CC2)CC1 ZINC000441010086 458875611 /nfs/dbraw/zinc/87/56/11/458875611.db2.gz ACAHQWQOTYCAMU-QGZVFWFLSA-N 2 1 333.495 3.377 20 0 EGADMP CCc1cccc(Cl)c1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000474360155 458879755 /nfs/dbraw/zinc/87/97/55/458879755.db2.gz ZJMJGQAPRRDFLW-UHFFFAOYSA-N 2 1 337.939 3.266 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)CC1 ZINC000441079044 458885459 /nfs/dbraw/zinc/88/54/59/458885459.db2.gz KADAIDRCFJBVPQ-OAQYLSRUSA-N 2 1 345.506 3.303 20 0 EGADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000474607714 458893598 /nfs/dbraw/zinc/89/35/98/458893598.db2.gz YYIIVSAEYAWUGD-KRWDZBQOSA-N 2 1 326.488 3.392 20 0 EGADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000474714527 458897784 /nfs/dbraw/zinc/89/77/84/458897784.db2.gz RQTPZIFGBGIGEZ-SFHVURJKSA-N 2 1 326.488 3.391 20 0 EGADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000474714527 458897792 /nfs/dbraw/zinc/89/77/92/458897792.db2.gz RQTPZIFGBGIGEZ-SFHVURJKSA-N 2 1 326.488 3.391 20 0 EGADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000474714526 458897971 /nfs/dbraw/zinc/89/79/71/458897971.db2.gz RQTPZIFGBGIGEZ-GOSISDBHSA-N 2 1 326.488 3.391 20 0 EGADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000474714526 458897973 /nfs/dbraw/zinc/89/79/73/458897973.db2.gz RQTPZIFGBGIGEZ-GOSISDBHSA-N 2 1 326.488 3.391 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCSc1ccc(F)cc1 ZINC000441258048 458907374 /nfs/dbraw/zinc/90/73/74/458907374.db2.gz SNOKXVANQXIBFQ-KBAYOESNSA-N 2 1 338.492 3.101 20 0 EGADMP CCOc1ccccc1C[N@@H+]1CCN(CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000441365659 458928851 /nfs/dbraw/zinc/92/88/51/458928851.db2.gz LLNRVEPXGVHRAA-QUCCMNQESA-N 2 1 345.531 3.076 20 0 EGADMP CCOc1ccccc1C[N@H+]1CCN(CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000441365659 458928858 /nfs/dbraw/zinc/92/88/58/458928858.db2.gz LLNRVEPXGVHRAA-QUCCMNQESA-N 2 1 345.531 3.076 20 0 EGADMP CCOc1ccccc1C[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000441365659 458928863 /nfs/dbraw/zinc/92/88/63/458928863.db2.gz LLNRVEPXGVHRAA-QUCCMNQESA-N 2 1 345.531 3.076 20 0 EGADMP CCOc1ccccc1C[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000441365659 458928868 /nfs/dbraw/zinc/92/88/68/458928868.db2.gz LLNRVEPXGVHRAA-QUCCMNQESA-N 2 1 345.531 3.076 20 0 EGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000556209246 458936899 /nfs/dbraw/zinc/93/68/99/458936899.db2.gz YDJCICHNXZSPNI-NLWGTHIKSA-N 2 1 345.531 3.039 20 0 EGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000556209246 458936935 /nfs/dbraw/zinc/93/69/35/458936935.db2.gz YDJCICHNXZSPNI-NLWGTHIKSA-N 2 1 345.531 3.039 20 0 EGADMP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000576864178 458937062 /nfs/dbraw/zinc/93/70/62/458937062.db2.gz PYDYTHMSFQMBJZ-GHTZIAJQSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000576864178 458937072 /nfs/dbraw/zinc/93/70/72/458937072.db2.gz PYDYTHMSFQMBJZ-GHTZIAJQSA-N 2 1 329.532 3.219 20 0 EGADMP CCOc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441446705 458945535 /nfs/dbraw/zinc/94/55/35/458945535.db2.gz LLLJWUFIXGJFAV-SFHVURJKSA-N 2 1 332.488 3.272 20 0 EGADMP CCOc1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441446705 458945545 /nfs/dbraw/zinc/94/55/45/458945545.db2.gz LLLJWUFIXGJFAV-SFHVURJKSA-N 2 1 332.488 3.272 20 0 EGADMP C[C@@H](Cc1ccsc1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677568 458959118 /nfs/dbraw/zinc/95/91/18/458959118.db2.gz XDRHVGVRTGVJQO-DOTOQJQBSA-N 2 1 349.569 3.319 20 0 EGADMP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000531687888 458960886 /nfs/dbraw/zinc/96/08/86/458960886.db2.gz CFRRATJBVNMDED-HRQSHJORSA-N 2 1 329.532 3.142 20 0 EGADMP CC[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000531687888 458960894 /nfs/dbraw/zinc/96/08/94/458960894.db2.gz CFRRATJBVNMDED-HRQSHJORSA-N 2 1 329.532 3.142 20 0 EGADMP CC[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000531687888 458960902 /nfs/dbraw/zinc/96/09/02/458960902.db2.gz CFRRATJBVNMDED-HRQSHJORSA-N 2 1 329.532 3.142 20 0 EGADMP CC[C@H](CN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000531687888 458960908 /nfs/dbraw/zinc/96/09/08/458960908.db2.gz CFRRATJBVNMDED-HRQSHJORSA-N 2 1 329.532 3.142 20 0 EGADMP CC[C@H](CN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000531687888 458960914 /nfs/dbraw/zinc/96/09/14/458960914.db2.gz CFRRATJBVNMDED-HRQSHJORSA-N 2 1 329.532 3.142 20 0 EGADMP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000531702687 458964006 /nfs/dbraw/zinc/96/40/06/458964006.db2.gz HQDGFGDTYKHVOQ-HRAATJIYSA-N 2 1 347.522 3.312 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccco2)cc1 ZINC000532025437 459018968 /nfs/dbraw/zinc/01/89/68/459018968.db2.gz RMIQQOBDKOOLSR-WBVHZDCISA-N 2 1 339.439 3.276 20 0 EGADMP CCCCNC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476982804 459025891 /nfs/dbraw/zinc/02/58/91/459025891.db2.gz KKJLCYMGVGJLDK-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442756502 459031697 /nfs/dbraw/zinc/03/16/97/459031697.db2.gz DWJIXIDKWGDETD-YOFSQIOKSA-N 2 1 341.499 3.028 20 0 EGADMP C[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442756502 459031698 /nfs/dbraw/zinc/03/16/98/459031698.db2.gz DWJIXIDKWGDETD-YOFSQIOKSA-N 2 1 341.499 3.028 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1cccc2ccccc21 ZINC000442757550 459031811 /nfs/dbraw/zinc/03/18/11/459031811.db2.gz MJRNPOJKLBAXEP-LTIDMASMSA-N 2 1 339.483 3.075 20 0 EGADMP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000442868414 459047752 /nfs/dbraw/zinc/04/77/52/459047752.db2.gz CEQVQKGQYXJGNA-UXHICEINSA-N 2 1 329.532 3.247 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000577584700 459054878 /nfs/dbraw/zinc/05/48/78/459054878.db2.gz UCWGGOAFZOCZRD-GWWVYPRNSA-N 2 1 346.515 3.341 20 0 EGADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442926004 459061780 /nfs/dbraw/zinc/06/17/80/459061780.db2.gz XCJCKNOBVLRYNA-LBPRGKRZSA-N 2 1 340.393 3.153 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496120496 459074466 /nfs/dbraw/zinc/07/44/66/459074466.db2.gz HLLHPSYHHCWELD-SJORKVTESA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496120496 459074475 /nfs/dbraw/zinc/07/44/75/459074475.db2.gz HLLHPSYHHCWELD-SJORKVTESA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496120496 459074482 /nfs/dbraw/zinc/07/44/82/459074482.db2.gz HLLHPSYHHCWELD-SJORKVTESA-N 2 1 339.524 3.098 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000443055259 459077044 /nfs/dbraw/zinc/07/70/44/459077044.db2.gz BADNQFBPBMPYJS-DYESRHJHSA-N 2 1 343.515 3.095 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000557535165 459082543 /nfs/dbraw/zinc/08/25/43/459082543.db2.gz SDLBNTFORCTMPI-SFHVURJKSA-N 2 1 345.531 3.033 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000577859705 459108584 /nfs/dbraw/zinc/10/85/84/459108584.db2.gz HQZJORQBELQAFI-AWEZNQCLSA-N 2 1 339.430 3.003 20 0 EGADMP CCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H](CC)c1ccccc1 ZINC000521193595 459128417 /nfs/dbraw/zinc/12/84/17/459128417.db2.gz KDXBWNLEEFDSRO-HXUWFJFHSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000479462234 459141539 /nfs/dbraw/zinc/14/15/39/459141539.db2.gz FTECHDKLMPYSIJ-RBUKOAKNSA-N 2 1 344.499 3.220 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000532919979 459160582 /nfs/dbraw/zinc/16/05/82/459160582.db2.gz AUVXCYYWZWDGSY-LJQANCHMSA-N 2 1 332.488 3.345 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000532919979 459160586 /nfs/dbraw/zinc/16/05/86/459160586.db2.gz AUVXCYYWZWDGSY-LJQANCHMSA-N 2 1 332.488 3.345 20 0 EGADMP CC[C@H]1CCC[C@H](NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000578521082 459215824 /nfs/dbraw/zinc/21/58/24/459215824.db2.gz LRMLKLIYRMFJPM-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1noc([C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000590785408 459216536 /nfs/dbraw/zinc/21/65/36/459216536.db2.gz NJTYCEYBXQEXSS-OAHLLOKOSA-N 2 1 328.460 3.283 20 0 EGADMP Cc1noc([C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000590785408 459216541 /nfs/dbraw/zinc/21/65/41/459216541.db2.gz NJTYCEYBXQEXSS-OAHLLOKOSA-N 2 1 328.460 3.283 20 0 EGADMP Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786174 459220105 /nfs/dbraw/zinc/22/01/05/459220105.db2.gz FNHHDIYLADESGW-SFHVURJKSA-N 2 1 345.531 3.052 20 0 EGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000481153639 459236453 /nfs/dbraw/zinc/23/64/53/459236453.db2.gz JOCKFZAWVBIYEE-QYZOEREBSA-N 2 1 347.547 3.398 20 0 EGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000481153639 459236455 /nfs/dbraw/zinc/23/64/55/459236455.db2.gz JOCKFZAWVBIYEE-QYZOEREBSA-N 2 1 347.547 3.398 20 0 EGADMP CCC(CC)N(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C1CC1 ZINC000568191321 459245480 /nfs/dbraw/zinc/24/54/80/459245480.db2.gz DOZOIGPXMARLBO-UHFFFAOYSA-N 2 1 349.563 3.362 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000496624892 459264570 /nfs/dbraw/zinc/26/45/70/459264570.db2.gz PKLGFTWZQDEJNY-UHFFFAOYSA-N 2 1 338.496 3.207 20 0 EGADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000533867163 459274909 /nfs/dbraw/zinc/27/49/09/459274909.db2.gz SPMWKDJPVAUITJ-INIZCTEOSA-N 2 1 338.480 3.457 20 0 EGADMP Cc1cc2[nH]c(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cc2c(C)c1 ZINC000481985184 459284762 /nfs/dbraw/zinc/28/47/62/459284762.db2.gz XBMQEZSKZUEWPD-DUXKGJEZSA-N 2 1 341.499 3.468 20 0 EGADMP Cc1cc2[nH]c(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cc2c(C)c1 ZINC000481985184 459284768 /nfs/dbraw/zinc/28/47/68/459284768.db2.gz XBMQEZSKZUEWPD-DUXKGJEZSA-N 2 1 341.499 3.468 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[NH+](C(C)C)C2)cc1 ZINC000523455777 459305688 /nfs/dbraw/zinc/30/56/88/459305688.db2.gz KVVCJNPGFQICTP-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000523455777 459305690 /nfs/dbraw/zinc/30/56/90/459305690.db2.gz KVVCJNPGFQICTP-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000523455777 459305694 /nfs/dbraw/zinc/30/56/94/459305694.db2.gz KVVCJNPGFQICTP-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP [NH3+]Cc1cn([C@@H]2CCC[N@H+](C3c4ccccc4-c4ccccc43)C2)nn1 ZINC000582113100 459308924 /nfs/dbraw/zinc/30/89/24/459308924.db2.gz WCNGHROYCZJYBL-MRXNPFEDSA-N 2 1 345.450 3.144 20 0 EGADMP Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000560336573 459325007 /nfs/dbraw/zinc/32/50/07/459325007.db2.gz YSYCUUAXQIJNDR-FQEVSTJZSA-N 2 1 348.531 3.095 20 0 EGADMP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000483159057 459346864 /nfs/dbraw/zinc/34/68/64/459346864.db2.gz NPMPLYHEAXRGOO-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000483303362 459357140 /nfs/dbraw/zinc/35/71/40/459357140.db2.gz MJYNMXOMDURSBB-SFTDATJTSA-N 2 1 330.516 3.429 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000483303362 459357146 /nfs/dbraw/zinc/35/71/46/459357146.db2.gz MJYNMXOMDURSBB-SFTDATJTSA-N 2 1 330.516 3.429 20 0 EGADMP COC1(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCCCC1 ZINC000483300752 459357340 /nfs/dbraw/zinc/35/73/40/459357340.db2.gz ZCHUOZWUOHBOHP-HDICACEKSA-N 2 1 338.536 3.157 20 0 EGADMP C[NH+](C)CCCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000560521309 459364902 /nfs/dbraw/zinc/36/49/02/459364902.db2.gz BNYSKHLXRZFFJU-PCCBWWKXSA-N 2 1 329.532 3.219 20 0 EGADMP C[NH+](C)CCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000560521309 459364905 /nfs/dbraw/zinc/36/49/05/459364905.db2.gz BNYSKHLXRZFFJU-PCCBWWKXSA-N 3 1 329.532 3.219 20 0 EGADMP C[NH+](C)CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000560521309 459364910 /nfs/dbraw/zinc/36/49/10/459364910.db2.gz BNYSKHLXRZFFJU-PCCBWWKXSA-N 3 1 329.532 3.219 20 0 EGADMP Brc1ccc2[nH+]ccc(NCC[NH+]3CCCCC3)c2c1 ZINC000524490192 459366849 /nfs/dbraw/zinc/36/68/49/459366849.db2.gz WQAHRUWGLGUBHB-UHFFFAOYSA-N 2 1 334.261 3.317 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](C)CCC[C@@H]3C)CC2)CC1 ZINC000582496605 459375268 /nfs/dbraw/zinc/37/52/68/459375268.db2.gz LJYNWECTNNDUDS-ROUUACIJSA-N 2 1 349.563 3.220 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1cc(Br)ccc1F ZINC000569137584 459402578 /nfs/dbraw/zinc/40/25/78/459402578.db2.gz MEDXNVOHTJSGQS-UHFFFAOYSA-N 2 1 340.240 3.386 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1cc(Br)ccc1F ZINC000569137584 459402583 /nfs/dbraw/zinc/40/25/83/459402583.db2.gz MEDXNVOHTJSGQS-UHFFFAOYSA-N 2 1 340.240 3.386 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000497057289 459421285 /nfs/dbraw/zinc/42/12/85/459421285.db2.gz UVHJWDGVIJYGLQ-HZPDHXFCSA-N 2 1 336.480 3.007 20 0 EGADMP C[C@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000583078375 459478139 /nfs/dbraw/zinc/47/81/39/459478139.db2.gz YPQMCMGWXOKKKI-PKOBYXMFSA-N 2 1 338.499 3.447 20 0 EGADMP O[C@H](C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CCCCC1 ZINC000562061017 459507680 /nfs/dbraw/zinc/50/76/80/459507680.db2.gz DESXQROPHUZUAA-FDFHNCONSA-N 2 1 342.527 3.382 20 0 EGADMP O[C@H](C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C1CCCCC1 ZINC000562061017 459507686 /nfs/dbraw/zinc/50/76/86/459507686.db2.gz DESXQROPHUZUAA-FDFHNCONSA-N 2 1 342.527 3.382 20 0 EGADMP O[C@H](C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C1CCCCC1 ZINC000562061017 459507693 /nfs/dbraw/zinc/50/76/93/459507693.db2.gz DESXQROPHUZUAA-FDFHNCONSA-N 2 1 342.527 3.382 20 0 EGADMP CC(C)OC(=O)C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1 ZINC000583271037 459512564 /nfs/dbraw/zinc/51/25/64/459512564.db2.gz LSXDHDRXXPHUDY-SFHVURJKSA-N 2 1 329.444 3.025 20 0 EGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000497317572 459526738 /nfs/dbraw/zinc/52/67/38/459526738.db2.gz YJQIKPRTLJGXKM-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cncc(Br)c1 ZINC000583392993 459532337 /nfs/dbraw/zinc/53/23/37/459532337.db2.gz WAEXOMNCJUGNHR-GFCCVEGCSA-N 2 1 338.293 3.369 20 0 EGADMP c1cnn(-c2cccc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2)c1 ZINC000526990306 459572754 /nfs/dbraw/zinc/57/27/54/459572754.db2.gz WKKIWOXUKIHNQS-NRFANRHFSA-N 2 1 346.478 3.484 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)C3CCCCC3)CC2)CC1 ZINC000572853955 459586611 /nfs/dbraw/zinc/58/66/11/459586611.db2.gz TXQMWOQGDSWYEM-QGZVFWFLSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](C[C@](C)(O)C(F)(F)F)CC1)CC(C)C ZINC000499600564 459641604 /nfs/dbraw/zinc/64/16/04/459641604.db2.gz OWMNZGZVNJLGJI-INIZCTEOSA-N 2 1 338.458 3.380 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000543433602 459656691 /nfs/dbraw/zinc/65/66/91/459656691.db2.gz GDIAWXPSYWBSQE-OWCLPIDISA-N 2 1 325.541 3.026 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000543773877 459698456 /nfs/dbraw/zinc/69/84/56/459698456.db2.gz OLEUBJLZFVWEEF-LPHOPBHVSA-N 2 1 340.458 3.344 20 0 EGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527693461 459703038 /nfs/dbraw/zinc/70/30/38/459703038.db2.gz WNQPQWMPLHMUSW-NRFANRHFSA-N 2 1 349.478 3.414 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccc(C[NH3+])cc2)cc1)C1CC1 ZINC000574086562 459777533 /nfs/dbraw/zinc/77/75/33/459777533.db2.gz GIAITLAHFCZOAS-UHFFFAOYSA-N 2 1 337.467 3.060 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cc(F)c(Br)cc1F ZINC000527977193 459786946 /nfs/dbraw/zinc/78/69/46/459786946.db2.gz CONRRHBFEBOHQY-XPTSAGLGSA-N 2 1 333.220 3.157 20 0 EGADMP C[NH+](C)[C@@H](CC(=O)N1CCC[N@@H+](CC2CCC2)CC1)c1ccccc1 ZINC000584729049 459792266 /nfs/dbraw/zinc/79/22/66/459792266.db2.gz CEIPVUGATBMWGM-FQEVSTJZSA-N 2 1 343.515 3.014 20 0 EGADMP Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(C)c1 ZINC000566058995 459799181 /nfs/dbraw/zinc/79/91/81/459799181.db2.gz NBFWNUHGFFDLHR-WMZOPIPTSA-N 2 1 327.476 3.060 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@](C)(O)C(F)(F)F)C1 ZINC000566063384 459799626 /nfs/dbraw/zinc/79/96/26/459799626.db2.gz RQLBPKXAGNSEGY-YOEHRIQHSA-N 2 1 344.421 3.321 20 0 EGADMP CC[NH2+]CCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000574307646 459805129 /nfs/dbraw/zinc/80/51/29/459805129.db2.gz VZSFBEBTAWRHIY-CQSZACIVSA-N 2 1 327.266 3.252 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000566118995 459809842 /nfs/dbraw/zinc/80/98/42/459809842.db2.gz MXODKUOYEVMGEQ-HKUYNNGSSA-N 2 1 348.531 3.045 20 0 EGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000566416569 459861934 /nfs/dbraw/zinc/86/19/34/459861934.db2.gz NBPYLSSXNUPNHP-CQSZACIVSA-N 2 1 326.444 3.052 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000566417284 459863075 /nfs/dbraw/zinc/86/30/75/459863075.db2.gz WSTVNWWCVXOXKX-UHFFFAOYSA-N 2 1 334.467 3.493 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000566417284 459863081 /nfs/dbraw/zinc/86/30/81/459863081.db2.gz WSTVNWWCVXOXKX-UHFFFAOYSA-N 2 1 334.467 3.493 20 0 EGADMP CC1CC[NH+](CCCCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000546016820 459888543 /nfs/dbraw/zinc/88/85/43/459888543.db2.gz ASSJJLOUSGDXMX-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2[nH]ccc2c1 ZINC000574927111 459896018 /nfs/dbraw/zinc/89/60/18/459896018.db2.gz XXZBHGWQQZXXRY-IRLDBZIGSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000574927111 459896019 /nfs/dbraw/zinc/89/60/19/459896019.db2.gz XXZBHGWQQZXXRY-IRLDBZIGSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000574927111 459896024 /nfs/dbraw/zinc/89/60/24/459896024.db2.gz XXZBHGWQQZXXRY-IRLDBZIGSA-N 2 1 349.478 3.141 20 0 EGADMP CC1CC[NH+](Cc2ccc(-c3noc([C@H]4CC[N@@H+](C)C4)n3)cc2)CC1 ZINC000546294752 459908149 /nfs/dbraw/zinc/90/81/49/459908149.db2.gz PZEGVFWGNWKQLP-SFHVURJKSA-N 2 1 340.471 3.388 20 0 EGADMP C[NH+]1CCN([C@@H](C[NH2+]C/C=C/c2ccccc2)c2cccs2)CC1 ZINC000588176998 459926676 /nfs/dbraw/zinc/92/66/76/459926676.db2.gz ZJDXBNUAAXSIMI-SQUITACLSA-N 2 1 341.524 3.340 20 0 EGADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602558137 459995133 /nfs/dbraw/zinc/99/51/33/459995133.db2.gz QXHPUNBBQWYLED-QNDJGXFYSA-N 2 1 334.529 3.057 20 0 EGADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602558137 459995138 /nfs/dbraw/zinc/99/51/38/459995138.db2.gz QXHPUNBBQWYLED-QNDJGXFYSA-N 2 1 334.529 3.057 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)[C@H]1c1cccs1 ZINC000621652060 459997249 /nfs/dbraw/zinc/99/72/49/459997249.db2.gz VCSFESGOYSPGQX-FCEWJHQRSA-N 2 1 349.544 3.027 20 0 EGADMP COC(=O)c1cc([C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)oc1C ZINC000575819569 460010031 /nfs/dbraw/zinc/01/00/31/460010031.db2.gz SSXSCTVXDVNRJY-AWEZNQCLSA-N 2 1 336.476 3.488 20 0 EGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000576160133 460080324 /nfs/dbraw/zinc/08/03/24/460080324.db2.gz XPTFKYAEDAXWCW-IPMKNSEASA-N 2 1 342.483 3.115 20 0 EGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000576160133 460080331 /nfs/dbraw/zinc/08/03/31/460080331.db2.gz XPTFKYAEDAXWCW-IPMKNSEASA-N 2 1 342.483 3.115 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000599311323 460224569 /nfs/dbraw/zinc/22/45/69/460224569.db2.gz OHFDRLVAHJTEGP-PXNSSMCTSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000599311323 460224572 /nfs/dbraw/zinc/22/45/72/460224572.db2.gz OHFDRLVAHJTEGP-PXNSSMCTSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000599311323 460224576 /nfs/dbraw/zinc/22/45/76/460224576.db2.gz OHFDRLVAHJTEGP-PXNSSMCTSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCCC[NH+]3C)cc2)C1 ZINC000599309868 460225650 /nfs/dbraw/zinc/22/56/50/460225650.db2.gz KHUINEQRMKPZQZ-QFBILLFUSA-N 2 1 329.488 3.341 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCCC[NH+]3C)cc2)C1 ZINC000599309868 460225652 /nfs/dbraw/zinc/22/56/52/460225652.db2.gz KHUINEQRMKPZQZ-QFBILLFUSA-N 2 1 329.488 3.341 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000599309868 460225655 /nfs/dbraw/zinc/22/56/55/460225655.db2.gz KHUINEQRMKPZQZ-QFBILLFUSA-N 2 1 329.488 3.341 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCCC[N@H+]3C)cc2)C1 ZINC000599309868 460225661 /nfs/dbraw/zinc/22/56/61/460225661.db2.gz KHUINEQRMKPZQZ-QFBILLFUSA-N 2 1 329.488 3.341 20 0 EGADMP COC(=O)CCCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000599405534 460248455 /nfs/dbraw/zinc/24/84/55/460248455.db2.gz YICUMTVFEAQOOA-INIZCTEOSA-N 2 1 338.517 3.154 20 0 EGADMP COC(=O)CCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000599405534 460248459 /nfs/dbraw/zinc/24/84/59/460248459.db2.gz YICUMTVFEAQOOA-INIZCTEOSA-N 2 1 338.517 3.154 20 0 EGADMP COC(=O)CCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000599405534 460248463 /nfs/dbraw/zinc/24/84/63/460248463.db2.gz YICUMTVFEAQOOA-INIZCTEOSA-N 2 1 338.517 3.154 20 0 EGADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000622753218 460305614 /nfs/dbraw/zinc/30/56/14/460305614.db2.gz TZWGVIQUIHLZJC-YLJYHZDGSA-N 2 1 347.547 3.307 20 0 EGADMP O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622753218 460305618 /nfs/dbraw/zinc/30/56/18/460305618.db2.gz TZWGVIQUIHLZJC-YLJYHZDGSA-N 2 1 347.547 3.307 20 0 EGADMP O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000622753218 460305624 /nfs/dbraw/zinc/30/56/24/460305624.db2.gz TZWGVIQUIHLZJC-YLJYHZDGSA-N 2 1 347.547 3.307 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1 ZINC000615310348 460307886 /nfs/dbraw/zinc/30/78/86/460307886.db2.gz VWNTXUSDKMSTLZ-VQIMIIECSA-N 2 1 331.504 3.083 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cscc3Cl)C2)CC1 ZINC000611276396 460327240 /nfs/dbraw/zinc/32/72/40/460327240.db2.gz PSZOIFWTYICDAI-OAHLLOKOSA-N 2 1 327.925 3.002 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cscc3Cl)C2)CC1 ZINC000611276396 460327247 /nfs/dbraw/zinc/32/72/47/460327247.db2.gz PSZOIFWTYICDAI-OAHLLOKOSA-N 2 1 327.925 3.002 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)NC1CCCCC1 ZINC000626062606 460358282 /nfs/dbraw/zinc/35/82/82/460358282.db2.gz ZAZHEIXXGGNWIY-QGZVFWFLSA-N 2 1 345.531 3.408 20 0 EGADMP CCC(C)(C)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000603937881 460362570 /nfs/dbraw/zinc/36/25/70/460362570.db2.gz XAASPLVVQISKQN-UHFFFAOYSA-N 2 1 331.504 3.019 20 0 EGADMP COC[C@H](C)[N@H+](CCCc1c[nH+]cn1C)[C@H]1CCc2ccccc21 ZINC000626133472 460389489 /nfs/dbraw/zinc/38/94/89/460389489.db2.gz OCRMGLZTPIXWNM-JXFKEZNVSA-N 2 1 327.472 3.377 20 0 EGADMP COC[C@H](C)[N@@H+](CCCc1c[nH+]cn1C)[C@H]1CCc2ccccc21 ZINC000626133472 460389497 /nfs/dbraw/zinc/38/94/97/460389497.db2.gz OCRMGLZTPIXWNM-JXFKEZNVSA-N 2 1 327.472 3.377 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000631666086 460499831 /nfs/dbraw/zinc/49/98/31/460499831.db2.gz ZUGPANOOWPIWQN-KPFFTGBYSA-N 2 1 338.499 3.155 20 0 EGADMP c1nc2c(s1)CCC[C@H]2[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000623852892 460743105 /nfs/dbraw/zinc/74/31/05/460743105.db2.gz FCKJLQOFOUQWNM-QGZVFWFLSA-N 2 1 343.496 3.143 20 0 EGADMP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCCc3scnc32)c1 ZINC000623865787 460750898 /nfs/dbraw/zinc/75/08/98/460750898.db2.gz AXRFNQVJOVVDEO-MRXNPFEDSA-N 2 1 331.485 3.251 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3(C[NH+](C)C)CC3)cc2)C1 ZINC000635348350 460751367 /nfs/dbraw/zinc/75/13/67/460751367.db2.gz FYWCZKLEMPWEDO-INIZCTEOSA-N 2 1 329.488 3.199 20 0 EGADMP CC[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000629543815 460802982 /nfs/dbraw/zinc/80/29/82/460802982.db2.gz FHCBKWQSASGYMO-BPUTZDHNSA-N 2 1 325.859 3.178 20 0 EGADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629562345 460808954 /nfs/dbraw/zinc/80/89/54/460808954.db2.gz BJFHVCGNVJCUQV-LSDHHAIUSA-N 2 1 330.394 3.141 20 0 EGADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629562345 460808959 /nfs/dbraw/zinc/80/89/59/460808959.db2.gz BJFHVCGNVJCUQV-LSDHHAIUSA-N 2 1 330.394 3.141 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCCOCCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629561980 460809129 /nfs/dbraw/zinc/80/91/29/460809129.db2.gz MBWSYYGJJBCLRQ-DLBZAZTESA-N 2 1 344.421 3.095 20 0 EGADMP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000635495044 460811175 /nfs/dbraw/zinc/81/11/75/460811175.db2.gz MGHHNFJSOKLQMJ-UYAOXDASSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CC[NH+]2C2CCCC2)c1 ZINC000635546038 460826832 /nfs/dbraw/zinc/82/68/32/460826832.db2.gz NFJSEOPYPYMMEJ-HXUWFJFHSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000635546038 460826837 /nfs/dbraw/zinc/82/68/37/460826837.db2.gz NFJSEOPYPYMMEJ-HXUWFJFHSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000635546038 460826841 /nfs/dbraw/zinc/82/68/41/460826841.db2.gz NFJSEOPYPYMMEJ-HXUWFJFHSA-N 2 1 343.515 3.160 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000635564828 460833110 /nfs/dbraw/zinc/83/31/10/460833110.db2.gz KRFHZWUPIXLFTI-QWFCFKBJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000635564828 460833113 /nfs/dbraw/zinc/83/31/13/460833113.db2.gz KRFHZWUPIXLFTI-QWFCFKBJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000635564828 460833120 /nfs/dbraw/zinc/83/31/20/460833120.db2.gz KRFHZWUPIXLFTI-QWFCFKBJSA-N 2 1 347.547 3.116 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120996 460870360 /nfs/dbraw/zinc/87/03/60/460870360.db2.gz LHHQEFQMJZTPJH-IRXDYDNUSA-N 2 1 331.504 3.288 20 0 EGADMP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(OC[C@H](O)C[NH3+])cc2)cc1 ZINC000629702751 460876337 /nfs/dbraw/zinc/87/63/37/460876337.db2.gz UKOLSPCAJBIQFY-OXQOHEQNSA-N 2 1 340.467 3.036 20 0 EGADMP C[C@H]1Cc2ccc(-c3ccccc3CN3CC[NH+](C)CC3)cc2C[NH2+]1 ZINC000629735985 460897088 /nfs/dbraw/zinc/89/70/88/460897088.db2.gz KUUUIWXKFDPRPK-KRWDZBQOSA-N 2 1 335.495 3.135 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@H](C)c2ccccc2)CC1 ZINC000613491413 460969317 /nfs/dbraw/zinc/96/93/17/460969317.db2.gz QSKJSFZEEMVVMY-GOSISDBHSA-N 2 1 345.531 3.308 20 0 EGADMP C[NH+](C)CCOc1ccc(CN2CC[N@@H+](C)Cc3ccccc32)cc1 ZINC000646208992 461132809 /nfs/dbraw/zinc/13/28/09/461132809.db2.gz RAWCJONCEGRNLA-UHFFFAOYSA-N 2 1 339.483 3.079 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)[C@@H]1CC[NH3+] ZINC000652354571 461150905 /nfs/dbraw/zinc/15/09/05/461150905.db2.gz CAMWJZXREXRIAX-FXAWDEMLSA-N 2 1 343.515 3.262 20 0 EGADMP COc1ccc(Cl)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652363442 461157260 /nfs/dbraw/zinc/15/72/60/461157260.db2.gz DZGDMRKWAYZWIW-BMGDILEWSA-N 2 1 338.879 3.209 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC[C@H]2CCc3ccccc32)C1 ZINC000662284435 461166268 /nfs/dbraw/zinc/16/62/68/461166268.db2.gz NHCVAVNVQGOQJM-UKAVVXHISA-N 2 1 328.500 3.467 20 0 EGADMP C[N@H+]1CCC[C@@H]1CN1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000649546828 461167255 /nfs/dbraw/zinc/16/72/55/461167255.db2.gz BHPUVOXPTIZPTQ-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@@H]1CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000649546828 461167265 /nfs/dbraw/zinc/16/72/65/461167265.db2.gz BHPUVOXPTIZPTQ-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@@H]1CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000649546828 461167272 /nfs/dbraw/zinc/16/72/72/461167272.db2.gz BHPUVOXPTIZPTQ-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)[NH3+] ZINC000662298508 461174768 /nfs/dbraw/zinc/17/47/68/461174768.db2.gz ZFJFMEWUQMCMGI-UHFFFAOYSA-N 2 1 325.456 3.351 20 0 EGADMP C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)[NH3+] ZINC000662298508 461174779 /nfs/dbraw/zinc/17/47/79/461174779.db2.gz ZFJFMEWUQMCMGI-UHFFFAOYSA-N 2 1 325.456 3.351 20 0 EGADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662297495 461175599 /nfs/dbraw/zinc/17/55/99/461175599.db2.gz QVBBKFMHRNATQM-IEBWSBKVSA-N 2 1 343.515 3.342 20 0 EGADMP Cc1ccc(-c2noc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662295642 461176500 /nfs/dbraw/zinc/17/65/00/461176500.db2.gz HJMFTBBDIMQPGX-SFHVURJKSA-N 2 1 340.471 3.257 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)[C@@H]2CCc3cc(OC)c(OC)cc32)[C@@H](C)C1 ZINC000638114400 461249736 /nfs/dbraw/zinc/24/97/36/461249736.db2.gz IVGBSDGJVSMACG-JCGIZDLHSA-N 2 1 332.488 3.353 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)[C@@H]2CCc3cc(OC)c(OC)cc32)[C@@H](C)C1 ZINC000638114400 461249743 /nfs/dbraw/zinc/24/97/43/461249743.db2.gz IVGBSDGJVSMACG-JCGIZDLHSA-N 2 1 332.488 3.353 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)[C@@H]2CCc3cc(OC)c(OC)cc32)[C@@H](C)C1 ZINC000638114400 461249745 /nfs/dbraw/zinc/24/97/45/461249745.db2.gz IVGBSDGJVSMACG-JCGIZDLHSA-N 2 1 332.488 3.353 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)[C@@H]2CCc3cc(OC)c(OC)cc32)[C@@H](C)C1 ZINC000638114400 461249753 /nfs/dbraw/zinc/24/97/53/461249753.db2.gz IVGBSDGJVSMACG-JCGIZDLHSA-N 2 1 332.488 3.353 20 0 EGADMP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000638120850 461252480 /nfs/dbraw/zinc/25/24/80/461252480.db2.gz APUZRNPHDCLWBK-ZOBUZTSGSA-N 2 1 337.533 3.011 20 0 EGADMP C[C@H]1CCN(C(=O)c2cccc3c2C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000662482944 461263153 /nfs/dbraw/zinc/26/31/53/461263153.db2.gz QNRSCLBTJBVALQ-KRWDZBQOSA-N 2 1 349.478 3.026 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2OCCCCO)C[C@@H]1n1ccnc1 ZINC000638170072 461282640 /nfs/dbraw/zinc/28/26/40/461282640.db2.gz CLSZWDUIGIPHRN-HKUYNNGSSA-N 2 1 343.471 3.118 20 0 EGADMP CC[N@@H+](CCCNC(=O)Nc1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000652610491 461299340 /nfs/dbraw/zinc/29/93/40/461299340.db2.gz AEJCXFBYXIUKJP-UHFFFAOYSA-N 2 1 332.492 3.312 20 0 EGADMP Clc1ccc(SCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655682457 461359064 /nfs/dbraw/zinc/35/90/64/461359064.db2.gz GHMNSDCJJDIZQB-MRXNPFEDSA-N 2 1 340.920 3.275 20 0 EGADMP FC(F)(F)c1ccccc1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655697241 461370774 /nfs/dbraw/zinc/37/07/74/461370774.db2.gz KEZANEOJISXKLU-INIZCTEOSA-N 2 1 342.405 3.091 20 0 EGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)COCc1ccccc1 ZINC000655701345 461372458 /nfs/dbraw/zinc/37/24/58/461372458.db2.gz SGWODBXJWBSZPE-NQIIRXRSSA-N 2 1 346.515 3.072 20 0 EGADMP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1ccc2ccccc2c1 ZINC000641806553 461381256 /nfs/dbraw/zinc/38/12/56/461381256.db2.gz QAQRAVIGLNAUMY-GTYSZEQSSA-N 2 1 339.483 3.121 20 0 EGADMP c1ccc(SC2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)cc1 ZINC000655712574 461383380 /nfs/dbraw/zinc/38/33/80/461383380.db2.gz UTHRZRGZJUVTCT-QGZVFWFLSA-N 2 1 332.513 3.154 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2nsc3ccccc32)C1 ZINC000641818386 461387257 /nfs/dbraw/zinc/38/72/57/461387257.db2.gz DBNIOLOLFBOTPU-XYPHTWIQSA-N 2 1 331.485 3.157 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000655720956 461389906 /nfs/dbraw/zinc/38/99/06/461389906.db2.gz KDEBSGDEZKRBBN-MRXNPFEDSA-N 2 1 330.451 3.140 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000655720956 461389912 /nfs/dbraw/zinc/38/99/12/461389912.db2.gz KDEBSGDEZKRBBN-MRXNPFEDSA-N 2 1 330.451 3.140 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652871579 461394836 /nfs/dbraw/zinc/39/48/36/461394836.db2.gz NSGNVJREPLAKHF-GOSISDBHSA-N 2 1 347.528 3.297 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652871579 461394846 /nfs/dbraw/zinc/39/48/46/461394846.db2.gz NSGNVJREPLAKHF-GOSISDBHSA-N 2 1 347.528 3.297 20 0 EGADMP C[C@@]1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCc2ccccc21 ZINC000655735036 461403747 /nfs/dbraw/zinc/40/37/47/461403747.db2.gz CRFPHSYJFCXADD-CTNGQTDRSA-N 2 1 328.500 3.124 20 0 EGADMP C[C@]1([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCCc2ccccc21 ZINC000655742304 461409298 /nfs/dbraw/zinc/40/92/98/461409298.db2.gz HUZFZPTVYNNORH-CTNGQTDRSA-N 2 1 328.500 3.471 20 0 EGADMP C[C@@H](CCOCc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655768940 461432435 /nfs/dbraw/zinc/43/24/35/461432435.db2.gz SQXQXPIJOUNKBJ-GHTZIAJQSA-N 2 1 346.515 3.215 20 0 EGADMP Nc1c(F)cccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000638448500 461433041 /nfs/dbraw/zinc/43/30/41/461433041.db2.gz DKPWNPXZIMUCLP-QGZVFWFLSA-N 2 1 327.447 3.410 20 0 EGADMP Clc1cccc2c1C[C@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CC2 ZINC000666088637 461450242 /nfs/dbraw/zinc/45/02/42/461450242.db2.gz FTVLBJSADJJLKY-QGZVFWFLSA-N 2 1 348.918 3.432 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666088530 461450283 /nfs/dbraw/zinc/45/02/83/461450283.db2.gz GOTCZYJURHWRKF-SFHVURJKSA-N 2 1 349.950 3.061 20 0 EGADMP Nc1c(F)cccc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000638522135 461467149 /nfs/dbraw/zinc/46/71/49/461467149.db2.gz XPCLIFHFCPFBER-KRWDZBQOSA-N 2 1 327.447 3.062 20 0 EGADMP Nc1c(F)cccc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000638522135 461467155 /nfs/dbraw/zinc/46/71/55/461467155.db2.gz XPCLIFHFCPFBER-KRWDZBQOSA-N 2 1 327.447 3.062 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000655840158 461490251 /nfs/dbraw/zinc/49/02/51/461490251.db2.gz MPZIESRRICTKLA-OREJSRFESA-N 2 1 333.435 3.490 20 0 EGADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000638613529 461505483 /nfs/dbraw/zinc/50/54/83/461505483.db2.gz YCRZEYXYIANWJF-FUHIMQAGSA-N 2 1 343.515 3.249 20 0 EGADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000638613532 461505673 /nfs/dbraw/zinc/50/56/73/461505673.db2.gz YCRZEYXYIANWJF-UWVAXJGDSA-N 2 1 343.515 3.249 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631079524 461529378 /nfs/dbraw/zinc/52/93/78/461529378.db2.gz HWJMPDPSNGKBDW-UHFFFAOYSA-N 2 1 337.423 3.302 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000659990935 461534917 /nfs/dbraw/zinc/53/49/17/461534917.db2.gz RVPFUYOTVRYXPU-SVFBPWRDSA-N 2 1 329.532 3.171 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000659990935 461534925 /nfs/dbraw/zinc/53/49/25/461534925.db2.gz RVPFUYOTVRYXPU-SVFBPWRDSA-N 2 1 329.532 3.171 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000659990935 461534929 /nfs/dbraw/zinc/53/49/29/461534929.db2.gz RVPFUYOTVRYXPU-SVFBPWRDSA-N 2 1 329.532 3.171 20 0 EGADMP CN(C(=O)CC[NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000663283504 461541181 /nfs/dbraw/zinc/54/11/81/461541181.db2.gz FXECPNFGHHUDFH-UHFFFAOYSA-N 2 1 331.504 3.284 20 0 EGADMP Clc1ccccc1Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000642630932 461542175 /nfs/dbraw/zinc/54/21/75/461542175.db2.gz ROMRACSIWXDCIH-ROUUACIJSA-N 2 1 344.890 3.301 20 0 EGADMP Clc1ccccc1Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000642630932 461542183 /nfs/dbraw/zinc/54/21/83/461542183.db2.gz ROMRACSIWXDCIH-ROUUACIJSA-N 2 1 344.890 3.301 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@@H]([NH3+])c1ccc(C)cc1)C1CCCCC1 ZINC000653200705 461554824 /nfs/dbraw/zinc/55/48/24/461554824.db2.gz MWCMHVKWTHDSBP-IBGZPJMESA-N 2 1 331.504 3.156 20 0 EGADMP c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CC[N@@H+](C3CC3)[C@H](c3ccccc3)C1)C2 ZINC000638743672 461558893 /nfs/dbraw/zinc/55/88/93/461558893.db2.gz MVMRQRBCIXIJAH-LQWHRVPQSA-N 2 1 336.483 3.225 20 0 EGADMP c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](C3CC3)[C@H](c3ccccc3)C1)C2 ZINC000638743672 461558905 /nfs/dbraw/zinc/55/89/05/461558905.db2.gz MVMRQRBCIXIJAH-LQWHRVPQSA-N 2 1 336.483 3.225 20 0 EGADMP Brc1cncc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663345641 461573719 /nfs/dbraw/zinc/57/37/19/461573719.db2.gz MFDWNZZFSVRZMC-AWEZNQCLSA-N 2 1 338.293 3.056 20 0 EGADMP Brc1cncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663345641 461573727 /nfs/dbraw/zinc/57/37/27/461573727.db2.gz MFDWNZZFSVRZMC-AWEZNQCLSA-N 2 1 338.293 3.056 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nn1C ZINC000666356121 461588776 /nfs/dbraw/zinc/58/87/76/461588776.db2.gz MYEJBMRNZRSVJK-HMXCVIKNSA-N 2 1 338.499 3.119 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nn1C ZINC000666356121 461588783 /nfs/dbraw/zinc/58/87/83/461588783.db2.gz MYEJBMRNZRSVJK-HMXCVIKNSA-N 2 1 338.499 3.119 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nn1C ZINC000666356122 461589413 /nfs/dbraw/zinc/58/94/13/461589413.db2.gz MYEJBMRNZRSVJK-SESVDKBCSA-N 2 1 338.499 3.119 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nn1C ZINC000666356122 461589419 /nfs/dbraw/zinc/58/94/19/461589419.db2.gz MYEJBMRNZRSVJK-SESVDKBCSA-N 2 1 338.499 3.119 20 0 EGADMP CC(C)c1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000660156211 461612967 /nfs/dbraw/zinc/61/29/67/461612967.db2.gz QIIYXDDWEISSLG-WIYYLYMNSA-N 2 1 329.532 3.268 20 0 EGADMP Cc1ccc([C@H](CNc2[nH+]ccc3[nH]ccc32)[NH+]2CCOCC2)cc1 ZINC000663405154 461623607 /nfs/dbraw/zinc/62/36/07/461623607.db2.gz QXQMQBQEEOBOER-IBGZPJMESA-N 2 1 336.439 3.357 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000631194747 461635346 /nfs/dbraw/zinc/63/53/46/461635346.db2.gz PBSFBPXRINPJRI-RLLQIKCJSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000631196915 461637588 /nfs/dbraw/zinc/63/75/88/461637588.db2.gz WNDOUBFJOJMQKJ-CRAIPNDOSA-N 2 1 348.441 3.006 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000631196915 461637595 /nfs/dbraw/zinc/63/75/95/461637595.db2.gz WNDOUBFJOJMQKJ-CRAIPNDOSA-N 2 1 348.441 3.006 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663466956 461655869 /nfs/dbraw/zinc/65/58/69/461655869.db2.gz CBZODALILONSBD-RDJZCZTQSA-N 2 1 332.488 3.476 20 0 EGADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467552 461656494 /nfs/dbraw/zinc/65/64/94/461656494.db2.gz GRVKEEICENCYCH-APWZRJJASA-N 2 1 344.499 3.448 20 0 EGADMP c1nn(C2CCCC2)c(-c2ccccc2)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643285847 461665417 /nfs/dbraw/zinc/66/54/17/461665417.db2.gz DCGNSFCWDPXFPU-HDICACEKSA-N 2 1 336.483 3.316 20 0 EGADMP c1nn(C2CCCC2)c(-c2ccccc2)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643285847 461665426 /nfs/dbraw/zinc/66/54/26/461665426.db2.gz DCGNSFCWDPXFPU-HDICACEKSA-N 2 1 336.483 3.316 20 0 EGADMP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639075458 461710967 /nfs/dbraw/zinc/71/09/67/461710967.db2.gz JPYAVUXRNNQXTI-AGKXRFJRSA-N 2 1 328.500 3.495 20 0 EGADMP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639075458 461710977 /nfs/dbraw/zinc/71/09/77/461710977.db2.gz JPYAVUXRNNQXTI-AGKXRFJRSA-N 2 1 328.500 3.495 20 0 EGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000643462284 461735025 /nfs/dbraw/zinc/73/50/25/461735025.db2.gz ZFVNLOPOMAPMFV-PMACEKPBSA-N 2 1 325.456 3.410 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000647496812 461735225 /nfs/dbraw/zinc/73/52/25/461735225.db2.gz UXZQBOPKLSAUGY-HOCLYGCPSA-N 2 1 338.455 3.393 20 0 EGADMP Cc1cc(C)c(/C=C\C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1C ZINC000637869947 461745657 /nfs/dbraw/zinc/74/56/57/461745657.db2.gz OUABQCMCKXVYCZ-SREVYHEPSA-N 2 1 341.543 3.338 20 0 EGADMP c1cn(-c2csc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2)cn1 ZINC000647544082 461759283 /nfs/dbraw/zinc/75/92/83/461759283.db2.gz WMXCDIFKNMJSFZ-HOTGVXAUSA-N 2 1 330.501 3.145 20 0 EGADMP CC1(c2ccccc2)CC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000656499732 461768350 /nfs/dbraw/zinc/76/83/50/461768350.db2.gz ZRIDZQVXUBHULU-NYLDSWQDSA-N 2 1 328.500 3.340 20 0 EGADMP CC(C)c1ccc([C@@H]([NH3+])CNCc2ccccc2-n2cncn2)cc1 ZINC000666785690 461801817 /nfs/dbraw/zinc/80/18/17/461801817.db2.gz YVQPNZURKALPJG-IBGZPJMESA-N 2 1 335.455 3.180 20 0 EGADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000653775607 461852858 /nfs/dbraw/zinc/85/28/58/461852858.db2.gz AXWVQXVAVDMSHH-NRFANRHFSA-N 2 1 340.515 3.338 20 0 EGADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000653775607 461852868 /nfs/dbraw/zinc/85/28/68/461852868.db2.gz AXWVQXVAVDMSHH-NRFANRHFSA-N 2 1 340.515 3.338 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000647878080 461867557 /nfs/dbraw/zinc/86/75/57/461867557.db2.gz OMFYKADPAOEHKY-QGZVFWFLSA-N 2 1 335.455 3.449 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705704 461898381 /nfs/dbraw/zinc/89/83/81/461898381.db2.gz RUVPLCRLOSBMNF-BJLQDIEVSA-N 2 1 332.488 3.194 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000650706276 461900396 /nfs/dbraw/zinc/90/03/96/461900396.db2.gz HTMGGAYPOKNGOQ-DAYGRLMNSA-N 2 1 338.879 3.067 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCc3sc(Br)cc3C2)CC[NH2+]1 ZINC000656791030 461901944 /nfs/dbraw/zinc/90/19/44/461901944.db2.gz CZJRHFZDXOSIFD-GHMZBOCLSA-N 2 1 329.307 3.257 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(OCc3ccccn3)c1)C2 ZINC000650708797 461902996 /nfs/dbraw/zinc/90/29/96/461902996.db2.gz NEOVYSPNOOUAQB-RXVVDRJESA-N 2 1 337.467 3.221 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2nc3ccc(F)cc3s2)C1 ZINC000650723360 461914657 /nfs/dbraw/zinc/91/46/57/461914657.db2.gz MHTBNSGFVCDHCB-VNQPRFMTSA-N 2 1 349.475 3.296 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2F)C1 ZINC000650723716 461916528 /nfs/dbraw/zinc/91/65/28/461916528.db2.gz SGDXEZUDPTVSGP-PVAVHDDUSA-N 2 1 326.843 3.340 20 0 EGADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647976148 461919313 /nfs/dbraw/zinc/91/93/13/461919313.db2.gz KSESALXSHUJWOS-IPMKNSEASA-N 2 1 343.515 3.342 20 0 EGADMP CCOc1ccccc1OCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977572 461919597 /nfs/dbraw/zinc/91/95/97/461919597.db2.gz DQEHVMBWERFADF-ZWKOTPCHSA-N 2 1 332.488 3.176 20 0 EGADMP Cc1cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)ccc1C(F)(F)F ZINC000648072042 461968453 /nfs/dbraw/zinc/96/84/53/461968453.db2.gz JBDCNCFMLCAPQZ-UHFFFAOYSA-N 2 1 342.405 3.310 20 0 EGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@H]2c2ccc(N(C)C)nn2)c(C)n1 ZINC000639678788 462054055 /nfs/dbraw/zinc/05/40/55/462054055.db2.gz NEJIOSALUIKOPM-SFHVURJKSA-N 2 1 325.460 3.200 20 0 EGADMP Cc1cc(C)c(CN2CCC[C@H]2c2ccc(N(C)C)nn2)c(C)n1 ZINC000639678788 462054060 /nfs/dbraw/zinc/05/40/60/462054060.db2.gz NEJIOSALUIKOPM-SFHVURJKSA-N 2 1 325.460 3.200 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000657348302 462062355 /nfs/dbraw/zinc/06/23/55/462062355.db2.gz QXWAATFMLHKYRJ-PKOBYXMFSA-N 2 1 334.504 3.310 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)o1 ZINC000644826201 462092522 /nfs/dbraw/zinc/09/25/22/462092522.db2.gz JBNOHDUZOCEKSK-INIZCTEOSA-N 2 1 347.503 3.068 20 0 EGADMP CC[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CCO1 ZINC000648445344 462122687 /nfs/dbraw/zinc/12/26/87/462122687.db2.gz HQBQROMSESYFBT-ZWKOTPCHSA-N 2 1 335.492 3.051 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000654309120 462151570 /nfs/dbraw/zinc/15/15/70/462151570.db2.gz VSWUKDCYVBKPMB-WOJBJXKFSA-N 2 1 343.515 3.275 20 0 EGADMP Clc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000657538882 462172837 /nfs/dbraw/zinc/17/28/37/462172837.db2.gz XRWCANBPBPXALZ-ZACQAIPSSA-N 2 1 333.907 3.383 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000657563309 462181846 /nfs/dbraw/zinc/18/18/46/462181846.db2.gz LNLRTRVKUQRTHS-FQEVSTJZSA-N 2 1 329.532 3.156 20 0 EGADMP Cc1cccc2[nH]c(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)cc21 ZINC000667707185 462224018 /nfs/dbraw/zinc/22/40/18/462224018.db2.gz SEYUAWLQDXMXGJ-PWIZWCRZSA-N 2 1 327.472 3.160 20 0 EGADMP Cc1cccc2[nH]c(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)cc21 ZINC000667707185 462224023 /nfs/dbraw/zinc/22/40/23/462224023.db2.gz SEYUAWLQDXMXGJ-PWIZWCRZSA-N 2 1 327.472 3.160 20 0 EGADMP CC[N@@H+](CCNc1ncnc2[nH]c(C)c(C)c21)CCC(F)(F)F ZINC000645224155 462241675 /nfs/dbraw/zinc/24/16/75/462241675.db2.gz SZMWCUWUJGQFIE-UHFFFAOYSA-N 2 1 329.370 3.261 20 0 EGADMP CCN(CCNc1ncnc2[nH]c(C)c(C)c21)CCC(F)(F)F ZINC000645224155 462241683 /nfs/dbraw/zinc/24/16/83/462241683.db2.gz SZMWCUWUJGQFIE-UHFFFAOYSA-N 2 1 329.370 3.261 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[N@H+]1C ZINC000648781252 462275210 /nfs/dbraw/zinc/27/52/10/462275210.db2.gz ZUADFGPFWSTGCA-YLJYHZDGSA-N 2 1 343.515 3.019 20 0 EGADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC000657824561 462283947 /nfs/dbraw/zinc/28/39/47/462283947.db2.gz URGBLVZWVMIWIU-HNNXBMFYSA-N 2 1 325.294 3.454 20 0 EGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc2ccncc2s1 ZINC000657869870 462303641 /nfs/dbraw/zinc/30/36/41/462303641.db2.gz AZADQXBFRCRQDH-OAHLLOKOSA-N 2 1 346.544 3.221 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(OCC)CC2)[C@@H](C)C1 ZINC000657884204 462307100 /nfs/dbraw/zinc/30/71/00/462307100.db2.gz MXNRTSRRKAFAEJ-RGVPCPSESA-N 2 1 326.525 3.061 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657992319 462339640 /nfs/dbraw/zinc/33/96/40/462339640.db2.gz GWSWGRMFQKSXMN-ZIAGYGMSSA-N 2 1 327.419 3.171 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657992319 462339643 /nfs/dbraw/zinc/33/96/43/462339643.db2.gz GWSWGRMFQKSXMN-ZIAGYGMSSA-N 2 1 327.419 3.171 20 0 EGADMP CCCN(C(=O)c1ccc(C[NH+](CC)CCC)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000649000949 462367637 /nfs/dbraw/zinc/36/76/37/462367637.db2.gz GIXSPXBGNFWRBR-FQEVSTJZSA-N 2 1 345.531 3.475 20 0 EGADMP CCCN(C(=O)c1ccc(C[N@H+](CC)CCC)cc1)[C@H]1CC[NH+](C)C1 ZINC000649000949 462367646 /nfs/dbraw/zinc/36/76/46/462367646.db2.gz GIXSPXBGNFWRBR-FQEVSTJZSA-N 2 1 345.531 3.475 20 0 EGADMP CCCN(C(=O)c1ccc(C[N@@H+](CC)CCC)cc1)[C@H]1CC[NH+](C)C1 ZINC000649000949 462367654 /nfs/dbraw/zinc/36/76/54/462367654.db2.gz GIXSPXBGNFWRBR-FQEVSTJZSA-N 2 1 345.531 3.475 20 0 EGADMP [NH3+]C1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCCC1 ZINC000665246526 462367701 /nfs/dbraw/zinc/36/77/01/462367701.db2.gz HQQVVYPJIXDGGM-ZCNNSNEGSA-N 2 1 327.516 3.291 20 0 EGADMP CC[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658076298 462371678 /nfs/dbraw/zinc/37/16/78/462371678.db2.gz IUISCVYTMKHQHA-UYAOXDASSA-N 2 1 334.479 3.380 20 0 EGADMP CC[N@@H+](CCCNCc1cnc2c(c1)c(C)nn2C)C1CCCCC1 ZINC000651909310 462377506 /nfs/dbraw/zinc/37/75/06/462377506.db2.gz FUMZCPOUMUSBNJ-UHFFFAOYSA-N 2 1 343.519 3.411 20 0 EGADMP CC[N@H+](CCC[NH2+]Cc1cnc2c(c1)c(C)nn2C)C1CCCCC1 ZINC000651909310 462377508 /nfs/dbraw/zinc/37/75/08/462377508.db2.gz FUMZCPOUMUSBNJ-UHFFFAOYSA-N 2 1 343.519 3.411 20 0 EGADMP CC[N@@H+](CCC[NH2+]Cc1cnc2c(c1)c(C)nn2C)C1CCCCC1 ZINC000651909310 462377513 /nfs/dbraw/zinc/37/75/13/462377513.db2.gz FUMZCPOUMUSBNJ-UHFFFAOYSA-N 2 1 343.519 3.411 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1[NH2+]CC1(C)C)C1CCCCC1 ZINC000645671108 462391332 /nfs/dbraw/zinc/39/13/32/462391332.db2.gz ABLVYCYSMJSFGB-LJQANCHMSA-N 2 1 343.515 3.065 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000649340669 462481507 /nfs/dbraw/zinc/48/15/07/462481507.db2.gz UISCTVHCXNHVCY-RTWAWAEBSA-N 2 1 329.532 3.456 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000649340669 462481514 /nfs/dbraw/zinc/48/15/14/462481514.db2.gz UISCTVHCXNHVCY-RTWAWAEBSA-N 2 1 329.532 3.456 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000649340669 462481517 /nfs/dbraw/zinc/48/15/17/462481517.db2.gz UISCTVHCXNHVCY-RTWAWAEBSA-N 2 1 329.532 3.456 20 0 EGADMP CC[N@@H+](CCC[NH2+][C@@H](C)C1(OC)CCOCC1)C1CCCCC1 ZINC000652237763 462485435 /nfs/dbraw/zinc/48/54/35/462485435.db2.gz CUCOIFYLOAFSEW-KRWDZBQOSA-N 2 1 326.525 3.205 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)[C@H](C)C1 ZINC000658350239 462485484 /nfs/dbraw/zinc/48/54/84/462485484.db2.gz XCRXVQSWQJECPG-QMMLZNLJSA-N 2 1 346.515 3.202 20 0 EGADMP c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc(COC[C@@H]2CCCO2)c1 ZINC000658351860 462485590 /nfs/dbraw/zinc/48/55/90/462485590.db2.gz FCEWVVJSOLVZIV-NRFANRHFSA-N 2 1 344.499 3.099 20 0 EGADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000646052026 462504207 /nfs/dbraw/zinc/50/42/07/462504207.db2.gz XOVGSRUOASCFFC-FQEVSTJZSA-N 2 1 343.515 3.229 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CCO2 ZINC000646101986 462517977 /nfs/dbraw/zinc/51/79/77/462517977.db2.gz BCIKZYNUSQASAI-UHFFFAOYSA-N 2 1 328.378 3.002 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184224679 533795277 /nfs/dbraw/zinc/79/52/77/533795277.db2.gz RGMADFPOHHIJSK-HDICACEKSA-N 2 1 337.552 3.160 20 0 EGADMP CCC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC1 ZINC000171678374 527895215 /nfs/dbraw/zinc/89/52/15/527895215.db2.gz DLWSRUFZMGAZAU-UHFFFAOYSA-N 2 1 347.528 3.048 20 0 EGADMP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C12CCC2 ZINC000181540948 528142574 /nfs/dbraw/zinc/14/25/74/528142574.db2.gz SXAYBNGYMHFMCZ-IRXDYDNUSA-N 2 1 326.444 3.013 20 0 EGADMP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C12CCCC2 ZINC000181540864 528143128 /nfs/dbraw/zinc/14/31/28/528143128.db2.gz HDHFIXXJNJHOLD-ROUUACIJSA-N 2 1 340.471 3.403 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC(F)F ZINC000174513663 528284050 /nfs/dbraw/zinc/28/40/50/528284050.db2.gz MPWIOXGFOIVHJG-OCCSQVGLSA-N 2 1 328.403 3.259 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC(F)F ZINC000174513663 528284056 /nfs/dbraw/zinc/28/40/56/528284056.db2.gz MPWIOXGFOIVHJG-OCCSQVGLSA-N 2 1 328.403 3.259 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000154469531 529143867 /nfs/dbraw/zinc/14/38/67/529143867.db2.gz HKXKSXDJXHFHSL-GOSISDBHSA-N 2 1 333.545 3.231 20 0 EGADMP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)c1cnn(C)c1 ZINC000153688285 529182562 /nfs/dbraw/zinc/18/25/62/529182562.db2.gz DMPJUANMEIIVMO-QGZVFWFLSA-N 2 1 327.407 3.294 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1)C1CC1 ZINC000338054755 535782243 /nfs/dbraw/zinc/78/22/43/535782243.db2.gz MPDUBLATGTXCLC-KRWDZBQOSA-N 2 1 343.515 3.133 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000187384095 536777263 /nfs/dbraw/zinc/77/72/63/536777263.db2.gz FWDHDUPNXGUBDT-GOSISDBHSA-N 2 1 326.525 3.014 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000180645617 547058845 /nfs/dbraw/zinc/05/88/45/547058845.db2.gz ONEMDZNSHVHFDO-FPOVZHCZSA-N 2 1 340.442 3.169 20 0 EGADMP CCOC[C@@H]1CCC[NH+]([C@@H](C)CC[N@@H+]2CCC[C@@H](COCC)C2)C1 ZINC000245696380 547267780 /nfs/dbraw/zinc/26/77/80/547267780.db2.gz SFHCCKPRXNUXSU-XUVXKRRUSA-N 2 1 340.552 3.262 20 0 EGADMP CCOC[C@@H]1CCC[NH+](CC[C@H](C)[N@@H+]2CCC[C@@H](COCC)C2)C1 ZINC000245696380 547267785 /nfs/dbraw/zinc/26/77/85/547267785.db2.gz SFHCCKPRXNUXSU-XUVXKRRUSA-N 2 1 340.552 3.262 20 0 EGADMP CCOC[C@@H]1CCC[NH+](CC[C@H](C)[N@H+]2CCC[C@@H](COCC)C2)C1 ZINC000245696380 547267787 /nfs/dbraw/zinc/26/77/87/547267787.db2.gz SFHCCKPRXNUXSU-XUVXKRRUSA-N 2 1 340.552 3.262 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccnn1-c1ccccc1 ZINC000281161964 547377179 /nfs/dbraw/zinc/37/71/79/547377179.db2.gz BMWWERDNHUOFAE-MSOLQXFVSA-N 2 1 342.487 3.024 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccnn1-c1ccccc1 ZINC000281161964 547377181 /nfs/dbraw/zinc/37/71/81/547377181.db2.gz BMWWERDNHUOFAE-MSOLQXFVSA-N 2 1 342.487 3.024 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000339072144 547568871 /nfs/dbraw/zinc/56/88/71/547568871.db2.gz UADYQNWUQYVLLY-JVPBZIDWSA-N 2 1 327.472 3.313 20 0 EGADMP CCN1C[C@H](C)[C@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000343468112 547602363 /nfs/dbraw/zinc/60/23/63/547602363.db2.gz HDHXPQRDRFHNDK-BBTUJRGHSA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000343468112 547602369 /nfs/dbraw/zinc/60/23/69/547602369.db2.gz HDHXPQRDRFHNDK-BBTUJRGHSA-N 3 1 329.532 3.348 20 0 EGADMP CC[N@H+]1C[C@H](C)[C@H](NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000343468112 547602375 /nfs/dbraw/zinc/60/23/75/547602375.db2.gz HDHXPQRDRFHNDK-BBTUJRGHSA-N 3 1 329.532 3.348 20 0 EGADMP CC[NH+]1C[C@H](C)[C@H](NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000343468112 547602377 /nfs/dbraw/zinc/60/23/77/547602377.db2.gz HDHXPQRDRFHNDK-BBTUJRGHSA-N 3 1 329.532 3.348 20 0 EGADMP CC[NH+]1C[C@H](C)[C@H](NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000343468112 547602382 /nfs/dbraw/zinc/60/23/82/547602382.db2.gz HDHXPQRDRFHNDK-BBTUJRGHSA-N 3 1 329.532 3.348 20 0 EGADMP C[NH+]1CCC([NH2+]CCc2c[nH]c3ccc(Br)cc23)CC1 ZINC000346868268 547622020 /nfs/dbraw/zinc/62/20/20/547622020.db2.gz RRKHBKQKSPBQRD-UHFFFAOYSA-N 2 1 336.277 3.157 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CCC(C(F)(F)F)CC1 ZINC000354216992 547703672 /nfs/dbraw/zinc/70/36/72/547703672.db2.gz OYUDEKLMPHFORD-WLYUNCDWSA-N 2 1 336.442 3.180 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC(F)(F)F ZINC000374535646 547809773 /nfs/dbraw/zinc/80/97/73/547809773.db2.gz HWSZWQQXEPBLBC-INIZCTEOSA-N 2 1 344.421 3.456 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC(F)(F)F ZINC000374535646 547809775 /nfs/dbraw/zinc/80/97/75/547809775.db2.gz HWSZWQQXEPBLBC-INIZCTEOSA-N 2 1 344.421 3.456 20 0 EGADMP COc1cc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000399208902 547836926 /nfs/dbraw/zinc/83/69/26/547836926.db2.gz TYGHNCPLMKAMQU-HOCLYGCPSA-N 2 1 331.485 3.152 20 0 EGADMP COc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)sn1 ZINC000399208902 547836929 /nfs/dbraw/zinc/83/69/29/547836929.db2.gz TYGHNCPLMKAMQU-HOCLYGCPSA-N 2 1 331.485 3.152 20 0 EGADMP COc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000399208902 547836932 /nfs/dbraw/zinc/83/69/32/547836932.db2.gz TYGHNCPLMKAMQU-HOCLYGCPSA-N 2 1 331.485 3.152 20 0 EGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000433124742 547897801 /nfs/dbraw/zinc/89/78/01/547897801.db2.gz FPEZLSWPVNOERG-KLAILNCOSA-N 2 1 349.485 3.361 20 0 EGADMP CO[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000441375349 547914676 /nfs/dbraw/zinc/91/46/76/547914676.db2.gz HXIRXQRACJRKKI-QGFMHUBQSA-N 2 1 326.525 3.155 20 0 EGADMP CO[C@@H]1CC[N@@H+](CCCCC[NH+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000441375349 547914678 /nfs/dbraw/zinc/91/46/78/547914678.db2.gz HXIRXQRACJRKKI-QGFMHUBQSA-N 2 1 326.525 3.155 20 0 EGADMP CO[C@@H]1CC[N@H+](CCCCC[NH+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000441375349 547914683 /nfs/dbraw/zinc/91/46/83/547914683.db2.gz HXIRXQRACJRKKI-QGFMHUBQSA-N 2 1 326.525 3.155 20 0 EGADMP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@@H](C)[C@@H](C)O1 ZINC000446072589 547924291 /nfs/dbraw/zinc/92/42/91/547924291.db2.gz VBJOKPGRLWMMOB-XNIJUTNWSA-N 2 1 326.525 3.152 20 0 EGADMP C[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@@H](C)[C@@H](C)O1 ZINC000446072589 547924294 /nfs/dbraw/zinc/92/42/94/547924294.db2.gz VBJOKPGRLWMMOB-XNIJUTNWSA-N 2 1 326.525 3.152 20 0 EGADMP C[C@@H]1C[N@H+](CCCCC[NH+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@@H](C)[C@@H](C)O1 ZINC000446072589 547924298 /nfs/dbraw/zinc/92/42/98/547924298.db2.gz VBJOKPGRLWMMOB-XNIJUTNWSA-N 2 1 326.525 3.152 20 0 EGADMP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@@H](C)[C@H](C)O1 ZINC000446072586 547924328 /nfs/dbraw/zinc/92/43/28/547924328.db2.gz VBJOKPGRLWMMOB-BDPHEOEISA-N 2 1 326.525 3.152 20 0 EGADMP C[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@@H](C)[C@H](C)O1 ZINC000446072586 547924331 /nfs/dbraw/zinc/92/43/31/547924331.db2.gz VBJOKPGRLWMMOB-BDPHEOEISA-N 2 1 326.525 3.152 20 0 EGADMP C[C@@H]1C[N@H+](CCCCC[NH+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@@H](C)[C@H](C)O1 ZINC000446072586 547924333 /nfs/dbraw/zinc/92/43/33/547924333.db2.gz VBJOKPGRLWMMOB-BDPHEOEISA-N 2 1 326.525 3.152 20 0 EGADMP OC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000671497765 548299055 /nfs/dbraw/zinc/29/90/55/548299055.db2.gz YUQIWZFHOZWBPK-LXHROKJGSA-N 2 1 342.527 3.428 20 0 EGADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000674391653 548745295 /nfs/dbraw/zinc/74/52/95/548745295.db2.gz VLOLRRZAWKZWNT-QIJUGHKUSA-N 2 1 338.495 3.357 20 0 EGADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000674391653 548745298 /nfs/dbraw/zinc/74/52/98/548745298.db2.gz VLOLRRZAWKZWNT-QIJUGHKUSA-N 2 1 338.495 3.357 20 0 EGADMP C[C@@H]1[C@@H](c2ccccc2)CC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000674391653 548745302 /nfs/dbraw/zinc/74/53/02/548745302.db2.gz VLOLRRZAWKZWNT-QIJUGHKUSA-N 2 1 338.495 3.357 20 0 EGADMP C[C@@H]1[C@@H](c2ccccc2)CC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000674391653 548745306 /nfs/dbraw/zinc/74/53/06/548745306.db2.gz VLOLRRZAWKZWNT-QIJUGHKUSA-N 2 1 338.495 3.357 20 0 EGADMP Cc1csc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)n1 ZINC000675748880 548973151 /nfs/dbraw/zinc/97/31/51/548973151.db2.gz PQKYAQLXDNVVAO-UHFFFAOYSA-N 2 1 347.503 3.430 20 0 EGADMP c1ccc2c(c1)SCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882338 548996839 /nfs/dbraw/zinc/99/68/39/548996839.db2.gz QSXPYOAEZJZLIO-FUHWJXTLSA-N 2 1 332.513 3.457 20 0 EGADMP Cc1nccn1CC[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000677981265 549368938 /nfs/dbraw/zinc/36/89/38/549368938.db2.gz ZRDWGWVMSDYGDV-PHIMTYICSA-N 2 1 329.288 3.254 20 0 EGADMP Cc1nccn1CCN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000677981265 549368941 /nfs/dbraw/zinc/36/89/41/549368941.db2.gz ZRDWGWVMSDYGDV-PHIMTYICSA-N 2 1 329.288 3.254 20 0 EGADMP CC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H]1CCOC1 ZINC000678151896 549412089 /nfs/dbraw/zinc/41/20/89/549412089.db2.gz VMHHISQTRRIFAQ-IBGZPJMESA-N 2 1 332.488 3.020 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000678281984 549458874 /nfs/dbraw/zinc/45/88/74/549458874.db2.gz KOVDDQAVDJOLLQ-RBUKOAKNSA-N 2 1 334.529 3.487 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(CO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000678929321 549597129 /nfs/dbraw/zinc/59/71/29/549597129.db2.gz KQDVABWMVLLSSK-AVRDEDQJSA-N 2 1 338.495 3.364 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(CO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000678929321 549597133 /nfs/dbraw/zinc/59/71/33/549597133.db2.gz KQDVABWMVLLSSK-AVRDEDQJSA-N 2 1 338.495 3.364 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncn1 ZINC000679721188 549768471 /nfs/dbraw/zinc/76/84/71/549768471.db2.gz JLRIRAUJHTZXCS-SESVDKBCSA-N 2 1 336.483 3.175 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ncn1 ZINC000679721188 549768473 /nfs/dbraw/zinc/76/84/73/549768473.db2.gz JLRIRAUJHTZXCS-SESVDKBCSA-N 2 1 336.483 3.175 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C1CC1)C1CCCCC1)c1ccccc1 ZINC000681208499 549968163 /nfs/dbraw/zinc/96/81/63/549968163.db2.gz AQDQBHJWFAHXFH-FQEVSTJZSA-N 2 1 343.515 3.203 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000681250283 549972864 /nfs/dbraw/zinc/97/28/64/549972864.db2.gz CIOQMVYVUOPEBB-IEBWSBKVSA-N 2 1 345.531 3.182 20 0 EGADMP C[C@](CO)([NH2+]CCC[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000682028382 550063458 /nfs/dbraw/zinc/06/34/58/550063458.db2.gz IXRYHRSNIKJJLS-QGZVFWFLSA-N 2 1 344.421 3.379 20 0 EGADMP C[C@@H]1C[N@H+](CCCCNc2cc[nH+]c3c(O)cccc23)C[C@H](C)O1 ZINC000682241115 550085467 /nfs/dbraw/zinc/08/54/67/550085467.db2.gz LQLYMERGOBCYKI-GASCZTMLSA-N 2 1 329.444 3.242 20 0 EGADMP Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000684091059 550289934 /nfs/dbraw/zinc/28/99/34/550289934.db2.gz JHSOOWFHGBQRIQ-INIZCTEOSA-N 2 1 332.492 3.140 20 0 EGADMP C[C@H](CO)[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)CC1CCC1 ZINC000685431556 550415611 /nfs/dbraw/zinc/41/56/11/550415611.db2.gz OMVURXPYDXDDDP-GOSISDBHSA-N 2 1 346.515 3.144 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc2cnccc2c1 ZINC000685456074 550418271 /nfs/dbraw/zinc/41/82/71/550418271.db2.gz PFYMURMTSIZTMP-NRFANRHFSA-N 2 1 340.515 3.083 20 0 EGADMP CC[N@H+](CC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000727470885 574669774 /nfs/dbraw/zinc/66/97/74/574669774.db2.gz QPBJCLHIGAXBLQ-UHFFFAOYSA-N 2 1 341.540 3.344 20 0 EGADMP CC[N@@H+](CC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000727470885 574669775 /nfs/dbraw/zinc/66/97/75/574669775.db2.gz QPBJCLHIGAXBLQ-UHFFFAOYSA-N 2 1 341.540 3.344 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000732275757 575252681 /nfs/dbraw/zinc/25/26/81/575252681.db2.gz AWZDINDHPKKHMX-QUCCMNQESA-N 2 1 345.531 3.450 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000732275757 575252685 /nfs/dbraw/zinc/25/26/85/575252685.db2.gz AWZDINDHPKKHMX-QUCCMNQESA-N 2 1 345.531 3.450 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000732275757 575252690 /nfs/dbraw/zinc/25/26/90/575252690.db2.gz AWZDINDHPKKHMX-QUCCMNQESA-N 2 1 345.531 3.450 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000679137582 576174663 /nfs/dbraw/zinc/17/46/63/576174663.db2.gz MNFCPIHFWHQMRJ-YWTNHNAXSA-N 2 1 331.504 3.190 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000679137582 576174665 /nfs/dbraw/zinc/17/46/65/576174665.db2.gz MNFCPIHFWHQMRJ-YWTNHNAXSA-N 2 1 331.504 3.190 20 0 EGADMP CCCc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000679219005 576175790 /nfs/dbraw/zinc/17/57/90/576175790.db2.gz PDQVOCMHNFRMJN-NRFANRHFSA-N 2 1 329.532 3.239 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000383335802 576254077 /nfs/dbraw/zinc/25/40/77/576254077.db2.gz IOXBLZYHQGNBNB-LPHOPBHVSA-N 2 1 326.488 3.291 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3cc(OC)ccc23)C[C@H]1C ZINC000740886102 576633685 /nfs/dbraw/zinc/63/36/85/576633685.db2.gz GNFHJFLPOYDVNQ-GDBMZVCRSA-N 2 1 344.455 3.106 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3cc(OC)ccc23)C[C@H]1C ZINC000740886102 576633689 /nfs/dbraw/zinc/63/36/89/576633689.db2.gz GNFHJFLPOYDVNQ-GDBMZVCRSA-N 2 1 344.455 3.106 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)oc3cc(OC)ccc23)C[C@H]1C ZINC000740886102 576633693 /nfs/dbraw/zinc/63/36/93/576633693.db2.gz GNFHJFLPOYDVNQ-GDBMZVCRSA-N 2 1 344.455 3.106 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)oc3cc(OC)ccc23)C[C@H]1C ZINC000740886102 576633694 /nfs/dbraw/zinc/63/36/94/576633694.db2.gz GNFHJFLPOYDVNQ-GDBMZVCRSA-N 2 1 344.455 3.106 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000693032611 1298149723 /nfs/dbraw/zinc/14/97/23/1298149723.db2.gz VQQHRCYBRGVJTO-BBWFWOEESA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)(C)OC(=O)NCCCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000698111821 1298167711 /nfs/dbraw/zinc/16/77/11/1298167711.db2.gz KUCGIPXODUOVBF-DLBZAZTESA-N 2 1 339.524 3.288 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCC(C)(C)SC)CC2)CC1 ZINC000877595531 1299420991 /nfs/dbraw/zinc/42/09/91/1299420991.db2.gz CZHMONFVVPUVMW-UHFFFAOYSA-N 2 1 327.582 3.010 20 0 EGADMP CC[NH+](CC)Cc1cccc(NC(=S)NC[C@H]2CCC[N@H+]2CC)c1 ZINC000044132922 1291475355 /nfs/dbraw/zinc/47/53/55/1291475355.db2.gz OWUZBYJHSAYAKV-GOSISDBHSA-N 2 1 348.560 3.299 20 0 EGADMP CCc1ccc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000066593735 1292124261 /nfs/dbraw/zinc/12/42/61/1292124261.db2.gz WYJBNJOPBYVGIC-FQEVSTJZSA-N 2 1 343.540 3.389 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cnc(C(C)(C)C)s2)C[C@H](C)O1 ZINC000067452579 1292160700 /nfs/dbraw/zinc/16/07/00/1292160700.db2.gz WDCDLHGTKBSFJO-GASCZTMLSA-N 2 1 339.549 3.420 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000069160380 1292233060 /nfs/dbraw/zinc/23/30/60/1292233060.db2.gz XYHRWOICFRNVDV-SFHVURJKSA-N 2 1 339.483 3.482 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000069160380 1292233068 /nfs/dbraw/zinc/23/30/68/1292233068.db2.gz XYHRWOICFRNVDV-SFHVURJKSA-N 2 1 339.483 3.482 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000069752011 1292250545 /nfs/dbraw/zinc/25/05/45/1292250545.db2.gz RGCXOWMSZNCNKO-HNNXBMFYSA-N 2 1 344.478 3.450 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000083114246 1292679339 /nfs/dbraw/zinc/67/93/39/1292679339.db2.gz VTJRWOJQRJBJOJ-KRWDZBQOSA-N 2 1 348.516 3.002 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000083114246 1292679351 /nfs/dbraw/zinc/67/93/51/1292679351.db2.gz VTJRWOJQRJBJOJ-KRWDZBQOSA-N 2 1 348.516 3.002 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000831874662 1292933880 /nfs/dbraw/zinc/93/38/80/1292933880.db2.gz ZFAVAQQFYMSAMQ-LJQANCHMSA-N 2 1 349.494 3.153 20 0 EGADMP CC(C)(C)n1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000103173766 1292997118 /nfs/dbraw/zinc/99/71/18/1292997118.db2.gz DVOTVALDSFYSCI-LJQANCHMSA-N 2 1 340.515 3.292 20 0 EGADMP CC(C)(C)n1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000103173766 1292997129 /nfs/dbraw/zinc/99/71/29/1292997129.db2.gz DVOTVALDSFYSCI-LJQANCHMSA-N 2 1 340.515 3.292 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000105451585 1293037808 /nfs/dbraw/zinc/03/78/08/1293037808.db2.gz ZKJXJWYUCPKCML-UHFFFAOYSA-N 2 1 343.437 3.069 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000107346381 1293064506 /nfs/dbraw/zinc/06/45/06/1293064506.db2.gz YFUOGLJHEWNJNN-UHFFFAOYSA-N 2 1 343.475 3.416 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)C1 ZINC000120792475 1293338610 /nfs/dbraw/zinc/33/86/10/1293338610.db2.gz NZCDPHDYMFKWAS-IBGZPJMESA-N 2 1 330.520 3.139 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)C1 ZINC000120792475 1293338629 /nfs/dbraw/zinc/33/86/29/1293338629.db2.gz NZCDPHDYMFKWAS-IBGZPJMESA-N 2 1 330.520 3.139 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000120807689 1293340259 /nfs/dbraw/zinc/34/02/59/1293340259.db2.gz HTKSNLHALAUOEY-LJQANCHMSA-N 2 1 325.456 3.092 20 0 EGADMP C[C@@H]1CC[N@@H+](Cn2ccc(-c3ccsc3)n2)C[C@@H]1n1ccnc1 ZINC000121494933 1293374481 /nfs/dbraw/zinc/37/44/81/1293374481.db2.gz OOVHFUYHCVMOOI-PBHICJAKSA-N 2 1 327.457 3.349 20 0 EGADMP C[C@@H]1CCN(Cn2ccc(-c3ccsc3)n2)C[C@@H]1n1ccnc1 ZINC000121494933 1293374489 /nfs/dbraw/zinc/37/44/89/1293374489.db2.gz OOVHFUYHCVMOOI-PBHICJAKSA-N 2 1 327.457 3.349 20 0 EGADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1(CC)CC ZINC000181851272 1294997321 /nfs/dbraw/zinc/99/73/21/1294997321.db2.gz IEUQDYKTELVHBC-OALUTQOASA-N 2 1 340.552 3.449 20 0 EGADMP CCOC(C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)OCC ZINC000184962924 1295232852 /nfs/dbraw/zinc/23/28/52/1295232852.db2.gz ZUBNAMUOXGKRQF-UHFFFAOYSA-N 2 1 334.504 3.230 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000191505056 1295688095 /nfs/dbraw/zinc/68/80/95/1295688095.db2.gz OLQVZPODCKXFOS-QGZVFWFLSA-N 2 1 337.414 3.169 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000191505056 1295688109 /nfs/dbraw/zinc/68/81/09/1295688109.db2.gz OLQVZPODCKXFOS-QGZVFWFLSA-N 2 1 337.414 3.169 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000248627401 1296421985 /nfs/dbraw/zinc/42/19/85/1296421985.db2.gz GFGGQNBVKBCMNP-IKGGRYGDSA-N 2 1 339.524 3.286 20 0 EGADMP CCOC(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)OCC ZINC000248634661 1296423258 /nfs/dbraw/zinc/42/32/58/1296423258.db2.gz UQFDNJKDMROTBF-VQTJNVASSA-N 2 1 346.515 3.372 20 0 EGADMP CCOC(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)OCC ZINC000248634661 1296423265 /nfs/dbraw/zinc/42/32/65/1296423265.db2.gz UQFDNJKDMROTBF-VQTJNVASSA-N 2 1 346.515 3.372 20 0 EGADMP CCOC(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)OCC ZINC000248634661 1296423269 /nfs/dbraw/zinc/42/32/69/1296423269.db2.gz UQFDNJKDMROTBF-VQTJNVASSA-N 2 1 346.515 3.372 20 0 EGADMP CCOC(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)OCC ZINC000248634661 1296423275 /nfs/dbraw/zinc/42/32/75/1296423275.db2.gz UQFDNJKDMROTBF-VQTJNVASSA-N 2 1 346.515 3.372 20 0 EGADMP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261605020 1296593927 /nfs/dbraw/zinc/59/39/27/1296593927.db2.gz CSVUPHKXXPFNQT-JSGCOSHPSA-N 2 1 328.287 3.034 20 0 EGADMP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261605020 1296593938 /nfs/dbraw/zinc/59/39/38/1296593938.db2.gz CSVUPHKXXPFNQT-JSGCOSHPSA-N 2 1 328.287 3.034 20 0 EGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261753581 1296600278 /nfs/dbraw/zinc/60/02/78/1296600278.db2.gz CIUUEWATBOYFQF-MRXNPFEDSA-N 2 1 338.377 3.266 20 0 EGADMP FC(F)(F)COc1ccccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261930127 1296610803 /nfs/dbraw/zinc/61/08/03/1296610803.db2.gz CRBHNXQVDUZAFD-UHFFFAOYSA-N 2 1 328.378 3.203 20 0 EGADMP CC(C)(C)n1cc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)nn1 ZINC000872158038 1296775751 /nfs/dbraw/zinc/77/57/51/1296775751.db2.gz SBOSKNYOEZGEQF-CRAIPNDOSA-N 2 1 333.524 3.153 20 0 EGADMP CC(C)(C)n1cc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)nn1 ZINC000872158038 1296775762 /nfs/dbraw/zinc/77/57/62/1296775762.db2.gz SBOSKNYOEZGEQF-CRAIPNDOSA-N 2 1 333.524 3.153 20 0 EGADMP C[N@@H+](CCC[NH2+]C[C@H](O)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000302885428 1296807158 /nfs/dbraw/zinc/80/71/58/1296807158.db2.gz SQQYXAYVXMATIB-IBGZPJMESA-N 2 1 332.875 3.485 20 0 EGADMP CO[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308387363 1297069271 /nfs/dbraw/zinc/06/92/71/1297069271.db2.gz FTDZCBPMJWSEKQ-ZCNNSNEGSA-N 2 1 328.500 3.446 20 0 EGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000309966915 1297081493 /nfs/dbraw/zinc/08/14/93/1297081493.db2.gz FYWBOHHZHBOZCZ-QGZVFWFLSA-N 2 1 347.503 3.108 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000309966915 1297081499 /nfs/dbraw/zinc/08/14/99/1297081499.db2.gz FYWBOHHZHBOZCZ-QGZVFWFLSA-N 2 1 347.503 3.108 20 0 EGADMP C[C@]1(C[NH2+]C[C@H](O)c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310889659 1297104089 /nfs/dbraw/zinc/10/40/89/1297104089.db2.gz KGKMGQHAXCCULC-LEWJYISDSA-N 2 1 342.458 3.361 20 0 EGADMP COCC[NH+]1CCC([NH2+]Cc2cc(Br)c(C)s2)CC1 ZINC000873023569 1297230799 /nfs/dbraw/zinc/23/07/99/1297230799.db2.gz OCRDHBUFXFTDJG-UHFFFAOYSA-N 2 1 347.322 3.019 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)[C@@H](n2cncn2)C1 ZINC000340535626 1297314276 /nfs/dbraw/zinc/31/42/76/1297314276.db2.gz VNZRPNJLKAWSDY-GTAWCEEGSA-N 2 1 345.535 3.395 20 0 EGADMP CC1(C)CC[C@@H](C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)[NH2+]C1 ZINC000873235005 1297376470 /nfs/dbraw/zinc/37/64/70/1297376470.db2.gz JSKGDYRTYIHAIM-TZQQIIETSA-N 2 1 341.499 3.187 20 0 EGADMP [NH3+]C1(CC(=O)N2CCCCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000686817863 1298117468 /nfs/dbraw/zinc/11/74/68/1298117468.db2.gz AJTDSADCYLTFJM-UHFFFAOYSA-N 2 1 343.515 3.163 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695207610 1298159454 /nfs/dbraw/zinc/15/94/54/1298159454.db2.gz XPLWIABAPXNWFV-UHFFFAOYSA-N 2 1 341.540 3.344 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)C[NH2+]1 ZINC000700077466 1298174109 /nfs/dbraw/zinc/17/41/09/1298174109.db2.gz AZLQXUABIDJPHA-PMPSAXMXSA-N 2 1 339.524 3.142 20 0 EGADMP COC(=O)c1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000701920576 1298191092 /nfs/dbraw/zinc/19/10/92/1298191092.db2.gz SMJIUCPUUHAKNU-MRXNPFEDSA-N 2 1 344.480 3.146 20 0 EGADMP COC(=O)c1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000701920576 1298191098 /nfs/dbraw/zinc/19/10/98/1298191098.db2.gz SMJIUCPUUHAKNU-MRXNPFEDSA-N 2 1 344.480 3.146 20 0 EGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000723701401 1298341847 /nfs/dbraw/zinc/34/18/47/1298341847.db2.gz BGQZTEHHNIJUTB-GFCCVEGCSA-N 2 1 334.261 3.168 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)CC2(C)CCN(C(=O)OCC)CC2)CC1 ZINC000876623500 1298877981 /nfs/dbraw/zinc/87/79/81/1298877981.db2.gz JPZSJSFZEOUKBE-UHFFFAOYSA-N 2 1 339.524 3.051 20 0 EGADMP C[C@@]1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H]1c1ccccc1 ZINC000877031089 1299121814 /nfs/dbraw/zinc/12/18/14/1299121814.db2.gz MBTOVONMJXGSIO-ACRUOGEOSA-N 2 1 328.500 3.413 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)CCCCCC[NH3+])CC1 ZINC000877295734 1299239016 /nfs/dbraw/zinc/23/90/16/1299239016.db2.gz VEDJTXPRLRDORF-LJQANCHMSA-N 2 1 349.494 3.330 20 0 EGADMP O=C1[C@H]2CCCCC[C@@H]2N1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000749939957 1299304286 /nfs/dbraw/zinc/30/42/86/1299304286.db2.gz WSXQOIIYNPXHDJ-PMACEKPBSA-N 2 1 347.547 3.323 20 0 EGADMP CCCC[N@H+]1Cc2ccc(NC(=S)NC3CC[NH+](C)CC3)cc2C1 ZINC000751019802 1299498429 /nfs/dbraw/zinc/49/84/29/1299498429.db2.gz LCSCRDKMSLMCRD-UHFFFAOYSA-N 2 1 346.544 3.183 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC[C@@H]21 ZINC000877743625 1299522122 /nfs/dbraw/zinc/52/21/22/1299522122.db2.gz LMLOZMQZFRPYPS-HOCLYGCPSA-N 2 1 328.378 3.154 20 0 EGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC[C@@H]21 ZINC000877743625 1299522125 /nfs/dbraw/zinc/52/21/25/1299522125.db2.gz LMLOZMQZFRPYPS-HOCLYGCPSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3)CC[C@@H]21 ZINC000877743625 1299522129 /nfs/dbraw/zinc/52/21/29/1299522129.db2.gz LMLOZMQZFRPYPS-HOCLYGCPSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)CC[C@@H]21 ZINC000877743625 1299522135 /nfs/dbraw/zinc/52/21/35/1299522135.db2.gz LMLOZMQZFRPYPS-HOCLYGCPSA-N 2 1 328.378 3.154 20 0 EGADMP Cc1c(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)sc2nc(C)nc(C)c12 ZINC000877744652 1299523595 /nfs/dbraw/zinc/52/35/95/1299523595.db2.gz WJRLZVLWNBKZJB-GJZGRUSLSA-N 2 1 330.501 3.143 20 0 EGADMP Cc1c(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)sc2nc(C)nc(C)c12 ZINC000877744652 1299523600 /nfs/dbraw/zinc/52/36/00/1299523600.db2.gz WJRLZVLWNBKZJB-GJZGRUSLSA-N 2 1 330.501 3.143 20 0 EGADMP Cc1c(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)sc2nc(C)nc(C)c12 ZINC000877744652 1299523605 /nfs/dbraw/zinc/52/36/05/1299523605.db2.gz WJRLZVLWNBKZJB-GJZGRUSLSA-N 2 1 330.501 3.143 20 0 EGADMP Cc1c(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)sc2nc(C)nc(C)c12 ZINC000877744652 1299523610 /nfs/dbraw/zinc/52/36/10/1299523610.db2.gz WJRLZVLWNBKZJB-GJZGRUSLSA-N 2 1 330.501 3.143 20 0 EGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CS1 ZINC000754124917 1300092236 /nfs/dbraw/zinc/09/22/36/1300092236.db2.gz UNEIDOFBVCHOSW-ULQDDVLXSA-N 2 1 326.550 3.140 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000756102731 1300439760 /nfs/dbraw/zinc/43/97/60/1300439760.db2.gz QAWDUVPAHLHICU-INIZCTEOSA-N 2 1 348.491 3.250 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000756102731 1300439764 /nfs/dbraw/zinc/43/97/64/1300439764.db2.gz QAWDUVPAHLHICU-INIZCTEOSA-N 2 1 348.491 3.250 20 0 EGADMP CN(C)c1cc(NC(=O)NC2CCC([NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000880609200 1301179758 /nfs/dbraw/zinc/17/97/58/1301179758.db2.gz KVJWTWNHEWNGNO-UHFFFAOYSA-N 2 1 345.491 3.066 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2N(C)CC)[C@@H](C)C1 ZINC000765851106 1302341227 /nfs/dbraw/zinc/34/12/27/1302341227.db2.gz YEYURVYJGKDVDQ-ICSRJNTNSA-N 2 1 347.547 3.369 20 0 EGADMP CC(C)[C@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)[NH+]1CCC(C)CC1 ZINC000885923289 1303278141 /nfs/dbraw/zinc/27/81/41/1303278141.db2.gz VYEDMBQJRAORKS-MOPGFXCFSA-N 2 1 338.536 3.061 20 0 EGADMP C([NH2+][C@H]1CCOC2(CCOCC2)C1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000886104496 1303354992 /nfs/dbraw/zinc/35/49/92/1303354992.db2.gz DGTRVSGNFRHQRC-PKOBYXMFSA-N 2 1 336.520 3.101 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CC4(CCC4)CO3)CC2)cc1 ZINC000886287440 1303421757 /nfs/dbraw/zinc/42/17/57/1303421757.db2.gz RLXVHQPXBNSXRL-FQEVSTJZSA-N 2 1 328.500 3.242 20 0 EGADMP C[C@@H]1CC[C@H](C[N@H+](C)[C@@H]2CC[C@@H]([NH+](C)C[C@@H]3CC[C@H](C)O3)CC2)O1 ZINC000886389713 1303453805 /nfs/dbraw/zinc/45/38/05/1303453805.db2.gz VHVVLQMMCSNVTB-FXYHRWFLSA-N 2 1 338.536 3.296 20 0 EGADMP C[C@@H]1CC[C@H](C[NH+](C)[C@@H]2CC[C@@H]([N@H+](C)C[C@@H]3CC[C@H](C)O3)CC2)O1 ZINC000886389713 1303453794 /nfs/dbraw/zinc/45/37/94/1303453794.db2.gz VHVVLQMMCSNVTB-FXYHRWFLSA-N 2 1 338.536 3.296 20 0 EGADMP C[C@@H]1CC[C@H](C[N@@H+](C)[C@@H]2CC[C@@H]([NH+](C)C[C@@H]3CC[C@H](C)O3)CC2)O1 ZINC000886389713 1303453799 /nfs/dbraw/zinc/45/37/99/1303453799.db2.gz VHVVLQMMCSNVTB-FXYHRWFLSA-N 2 1 338.536 3.296 20 0 EGADMP COc1ccccc1OCC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886659053 1303541785 /nfs/dbraw/zinc/54/17/85/1303541785.db2.gz BIVAKFHKIRMXOA-UHFFFAOYSA-N 2 1 329.444 3.294 20 0 EGADMP COC(=O)Cc1ccccc1C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886664347 1303545482 /nfs/dbraw/zinc/54/54/82/1303545482.db2.gz JPYKCUHRSVEZJT-UHFFFAOYSA-N 2 1 341.455 3.122 20 0 EGADMP C[N@@H+](CCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)Cc1ccccc1 ZINC000775367080 1303947643 /nfs/dbraw/zinc/94/76/43/1303947643.db2.gz VUVMKAZUSDLENF-SQNIBIBYSA-N 2 1 336.570 3.478 20 0 EGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)C1CCCCC1 ZINC000775381198 1303951487 /nfs/dbraw/zinc/95/14/87/1303951487.db2.gz ZXIOCFZUWXWFMD-WCXIOVBPSA-N 2 1 328.591 3.466 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCCC1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000781900417 1304888957 /nfs/dbraw/zinc/88/89/57/1304888957.db2.gz ZBAIKUCADLPSRE-UHFFFAOYSA-N 2 1 341.540 3.345 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccnc(Cl)c1 ZINC000781922399 1304892505 /nfs/dbraw/zinc/89/25/05/1304892505.db2.gz HIIWHDQAZXSFMI-KSSFIOAISA-N 2 1 345.874 3.152 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000783325239 1305081027 /nfs/dbraw/zinc/08/10/27/1305081027.db2.gz GLPKCYNNETWAHC-YVSFHVDLSA-N 2 1 339.524 3.142 20 0 EGADMP COCCOC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000892570064 1305445708 /nfs/dbraw/zinc/44/57/08/1305445708.db2.gz HJFNJEORFXDQFJ-QZTJIDSGSA-N 2 1 334.504 3.202 20 0 EGADMP C[C@@H](C[NH2+]Cc1cnc(CC(F)(F)F)s1)C[NH+]1CCCCC1 ZINC000892632211 1305481138 /nfs/dbraw/zinc/48/11/38/1305481138.db2.gz KXWNYFYJZHDZJP-LBPRGKRZSA-N 2 1 335.439 3.460 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786783641 1305628755 /nfs/dbraw/zinc/62/87/55/1305628755.db2.gz NBLDWOYLLQTXON-DLBZAZTESA-N 2 1 344.503 3.131 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786783644 1305629299 /nfs/dbraw/zinc/62/92/99/1305629299.db2.gz NBLDWOYLLQTXON-SJORKVTESA-N 2 1 344.503 3.131 20 0 EGADMP COc1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc1 ZINC000893226435 1305772407 /nfs/dbraw/zinc/77/24/07/1305772407.db2.gz RDONGAISKSOTPG-PKOBYXMFSA-N 2 1 339.483 3.481 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788587938 1305975484 /nfs/dbraw/zinc/97/54/84/1305975484.db2.gz KVESZERXNHOTEC-IKGGRYGDSA-N 2 1 341.540 3.342 20 0 EGADMP CC(C)OC(=O)C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000894490655 1308919172 /nfs/dbraw/zinc/91/91/72/1308919172.db2.gz RLWXXKDJHMNSFV-XVLXNVKGSA-N 2 1 330.472 3.284 20 0 EGADMP CC(C)OC(=O)C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000894490655 1308919176 /nfs/dbraw/zinc/91/91/76/1308919176.db2.gz RLWXXKDJHMNSFV-XVLXNVKGSA-N 2 1 330.472 3.284 20 0 EGADMP C[C@@H](CC[NH2+]CC1=Cc2cc(Br)ccc2OC1)[NH+](C)C ZINC000895296659 1309274707 /nfs/dbraw/zinc/27/47/07/1309274707.db2.gz AQRWEFZCTQAMNU-LBPRGKRZSA-N 2 1 339.277 3.155 20 0 EGADMP Cc1ccc(C2=NO[C@H](C[NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1C ZINC000895499747 1309373927 /nfs/dbraw/zinc/37/39/27/1309373927.db2.gz YVDAHXIVSCQQEQ-FQEVSTJZSA-N 2 1 341.499 3.260 20 0 EGADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000895769830 1309511595 /nfs/dbraw/zinc/51/15/95/1309511595.db2.gz QUJJRQRIRHGZEH-GOSISDBHSA-N 2 1 331.504 3.017 20 0 EGADMP c1cncc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CCC2)c1 ZINC000795794593 1309835755 /nfs/dbraw/zinc/83/57/55/1309835755.db2.gz JWSRIKRKIRXTKS-UXHICEINSA-N 2 1 329.488 3.156 20 0 EGADMP Clc1cccc(Cl)c1CCC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000795927841 1309863019 /nfs/dbraw/zinc/86/30/19/1309863019.db2.gz QAQIEGHPJBOSKQ-ZIAGYGMSSA-N 2 1 343.298 3.379 20 0 EGADMP Clc1cccc(Cl)c1CCC[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000795927841 1309863027 /nfs/dbraw/zinc/86/30/27/1309863027.db2.gz QAQIEGHPJBOSKQ-ZIAGYGMSSA-N 2 1 343.298 3.379 20 0 EGADMP Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ncc(C[NH+](C)C)s3)C2)cc1 ZINC000796316543 1309963580 /nfs/dbraw/zinc/96/35/80/1309963580.db2.gz SYTLFTWDFUMQMR-MRXNPFEDSA-N 2 1 344.528 3.272 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC000797113968 1310142297 /nfs/dbraw/zinc/14/22/97/1310142297.db2.gz MZACSNQDODJSOA-PMPSAXMXSA-N 2 1 346.462 3.208 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC000797113968 1310142301 /nfs/dbraw/zinc/14/23/01/1310142301.db2.gz MZACSNQDODJSOA-PMPSAXMXSA-N 2 1 346.462 3.208 20 0 EGADMP CC[NH+](CC)CCOc1cccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000898704504 1310827517 /nfs/dbraw/zinc/82/75/17/1310827517.db2.gz VJEYOBVVHYBTGX-RTBURBONSA-N 2 1 331.504 3.446 20 0 EGADMP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000839179892 1320886787 /nfs/dbraw/zinc/88/67/87/1320886787.db2.gz ANNMXWJMMPFGOG-HNNXBMFYSA-N 2 1 347.894 3.051 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001018967323 1316988331 /nfs/dbraw/zinc/98/83/31/1316988331.db2.gz ABFXRJSWIBJMBF-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001019044046 1317020857 /nfs/dbraw/zinc/02/08/57/1317020857.db2.gz NVDDQWCSSVNHHY-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)C1 ZINC000900713347 1317327312 /nfs/dbraw/zinc/32/73/12/1317327312.db2.gz YZDFLICUVVVFHG-WCIQWLHISA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000900713347 1317327318 /nfs/dbraw/zinc/32/73/18/1317327318.db2.gz YZDFLICUVVVFHG-WCIQWLHISA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000900713347 1317327329 /nfs/dbraw/zinc/32/73/29/1317327329.db2.gz YZDFLICUVVVFHG-WCIQWLHISA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@H+]1CC)C1C[NH+](CC2CCC(C)CC2)C1 ZINC000957424283 1317348752 /nfs/dbraw/zinc/34/87/52/1317348752.db2.gz MUSCEGFAUCNILE-AFMYVXGZSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C1C[NH+](CCC2=CCCCC2)C1 ZINC000957424081 1317349797 /nfs/dbraw/zinc/34/97/97/1317349797.db2.gz CKFOMBRUBSTSQF-HXUWFJFHSA-N 2 1 347.547 3.284 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@H+]1CC)C1C[NH+](CCC2=CCCCC2)C1 ZINC000957424081 1317349806 /nfs/dbraw/zinc/34/98/06/1317349806.db2.gz CKFOMBRUBSTSQF-HXUWFJFHSA-N 2 1 347.547 3.284 20 0 EGADMP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)CC1 ZINC000901188626 1317391740 /nfs/dbraw/zinc/39/17/40/1317391740.db2.gz VMQXBTWKIIPZOA-GHBBCFCZSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC000957560227 1317457686 /nfs/dbraw/zinc/45/76/86/1317457686.db2.gz UXCYRGZHNPWHMM-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000957560936 1317458946 /nfs/dbraw/zinc/45/89/46/1317458946.db2.gz AQRXELLLANSZSP-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806148292 1317466015 /nfs/dbraw/zinc/46/60/15/1317466015.db2.gz FLQHCYIADDNTRS-BPQIPLTHSA-N 2 1 349.906 3.080 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)CC1 ZINC000957568893 1317467725 /nfs/dbraw/zinc/46/77/25/1317467725.db2.gz SDSXUFSNBCLANB-MOPGFXCFSA-N 2 1 347.547 3.118 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000806172735 1317469191 /nfs/dbraw/zinc/46/91/91/1317469191.db2.gz SMQJJUBTHIEGDT-KCXAZCMYSA-N 2 1 330.394 3.059 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC2(CC1)CC[NH+](C(C)C)CC2 ZINC000957614835 1317498011 /nfs/dbraw/zinc/49/80/11/1317498011.db2.gz QIUDOHYBQQZQJC-UHFFFAOYSA-N 2 1 346.519 3.120 20 0 EGADMP CCOCCOCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000929805605 1328705147 /nfs/dbraw/zinc/70/51/47/1328705147.db2.gz DGNDDJPBRXPIKQ-AZUAARDMSA-N 2 1 334.504 3.024 20 0 EGADMP CCOCCOCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000929805605 1328705149 /nfs/dbraw/zinc/70/51/49/1328705149.db2.gz DGNDDJPBRXPIKQ-AZUAARDMSA-N 2 1 334.504 3.024 20 0 EGADMP CCOCCOCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000929805605 1328705152 /nfs/dbraw/zinc/70/51/52/1328705152.db2.gz DGNDDJPBRXPIKQ-AZUAARDMSA-N 2 1 334.504 3.024 20 0 EGADMP CCOCCOCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000929805605 1328705155 /nfs/dbraw/zinc/70/51/55/1328705155.db2.gz DGNDDJPBRXPIKQ-AZUAARDMSA-N 2 1 334.504 3.024 20 0 EGADMP CC1(C)CC(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001020240179 1317605282 /nfs/dbraw/zinc/60/52/82/1317605282.db2.gz ZOKOBTGGJYSXCA-ZHALLVOQSA-N 2 1 347.547 3.066 20 0 EGADMP CC[N@H+](CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1)C(C)C ZINC000957778175 1317642902 /nfs/dbraw/zinc/64/29/02/1317642902.db2.gz VYYWJCJXQOMGKG-HXUWFJFHSA-N 2 1 345.531 3.258 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1)C(C)C ZINC000957778175 1317642907 /nfs/dbraw/zinc/64/29/07/1317642907.db2.gz VYYWJCJXQOMGKG-HXUWFJFHSA-N 2 1 345.531 3.258 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001020339523 1317652105 /nfs/dbraw/zinc/65/21/05/1317652105.db2.gz SKBRZSISVGHQNK-AFYVEPGGSA-N 2 1 343.515 3.105 20 0 EGADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[NH+](C)Cc1ccccc1 ZINC000903092840 1317652412 /nfs/dbraw/zinc/65/24/12/1317652412.db2.gz NGXIUAVIXHEHTF-TYGFWLQKSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[N@H+](C)Cc1ccccc1 ZINC000903092840 1317652417 /nfs/dbraw/zinc/65/24/17/1317652417.db2.gz NGXIUAVIXHEHTF-TYGFWLQKSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000903092840 1317652421 /nfs/dbraw/zinc/65/24/21/1317652421.db2.gz NGXIUAVIXHEHTF-TYGFWLQKSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)N(C)Cc1ccccc1 ZINC000903092840 1317652427 /nfs/dbraw/zinc/65/24/27/1317652427.db2.gz NGXIUAVIXHEHTF-TYGFWLQKSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)N(C)Cc1ccccc1 ZINC000903092840 1317652431 /nfs/dbraw/zinc/65/24/31/1317652431.db2.gz NGXIUAVIXHEHTF-TYGFWLQKSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc([S@@](C)=O)cc1 ZINC000903127954 1317659478 /nfs/dbraw/zinc/65/94/78/1317659478.db2.gz PBQIYELDWJSUPQ-HKVKCEJTSA-N 2 1 332.513 3.232 20 0 EGADMP COCCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903164449 1317666473 /nfs/dbraw/zinc/66/64/73/1317666473.db2.gz HRFYKNLGTXYFNM-CTXDPNEZSA-N 2 1 344.499 3.349 20 0 EGADMP Cn1cnc(C[NH2+]Cc2ccccc2C[N@H+](C)C2CCCCC2)c1 ZINC000808380510 1317669265 /nfs/dbraw/zinc/66/92/65/1317669265.db2.gz DXGDUZGMSFAAGI-UHFFFAOYSA-N 2 1 326.488 3.474 20 0 EGADMP Cn1cnc(C[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000808380510 1317669267 /nfs/dbraw/zinc/66/92/67/1317669267.db2.gz DXGDUZGMSFAAGI-UHFFFAOYSA-N 2 1 326.488 3.474 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCOCC2)[C@@H](C)C1 ZINC000903244666 1317681648 /nfs/dbraw/zinc/68/16/48/1317681648.db2.gz ARMMGBRCCPFWMB-HKUYNNGSSA-N 2 1 340.552 3.166 20 0 EGADMP c1ccc2cc(C[N@@H+]3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)ccc2c1 ZINC000903509187 1317706936 /nfs/dbraw/zinc/70/69/36/1317706936.db2.gz DAPXHIZJLQTZSR-SZPZYZBQSA-N 2 1 335.495 3.240 20 0 EGADMP c1ccc2cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC[NH2+]CC3)ccc2c1 ZINC000903509187 1317706939 /nfs/dbraw/zinc/70/69/39/1317706939.db2.gz DAPXHIZJLQTZSR-SZPZYZBQSA-N 2 1 335.495 3.240 20 0 EGADMP c1ccc2cc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC[NH2+]CC3)ccc2c1 ZINC000903509187 1317706943 /nfs/dbraw/zinc/70/69/43/1317706943.db2.gz DAPXHIZJLQTZSR-SZPZYZBQSA-N 2 1 335.495 3.240 20 0 EGADMP c1ccc([C@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903725807 1317725741 /nfs/dbraw/zinc/72/57/41/1317725741.db2.gz HVXGVTYVEPUVFW-PMACEKPBSA-N 2 1 328.500 3.415 20 0 EGADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903731772 1317726979 /nfs/dbraw/zinc/72/69/79/1317726979.db2.gz CQUOXDDSDYGXKP-OTWHNJEPSA-N 2 1 328.500 3.332 20 0 EGADMP Cc1ccc([C@@H]2CSCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903730518 1317727729 /nfs/dbraw/zinc/72/77/29/1317727729.db2.gz WYEYYZMLVYJPOV-OALUTQOASA-N 2 1 346.540 3.244 20 0 EGADMP Cc1ccccc1Cc1noc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)n1 ZINC000903790741 1317735044 /nfs/dbraw/zinc/73/50/44/1317735044.db2.gz YLEKJZXXKIDICO-UHFFFAOYSA-N 2 1 342.487 3.166 20 0 EGADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000903829810 1317739281 /nfs/dbraw/zinc/73/92/81/1317739281.db2.gz LIXZODCGTKNPRC-LJQANCHMSA-N 2 1 329.532 3.363 20 0 EGADMP c1c(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)sc2c1C[NH2+]CC2 ZINC000903947569 1317753666 /nfs/dbraw/zinc/75/36/66/1317753666.db2.gz AZBFHSXBENQANA-MRXNPFEDSA-N 2 1 334.529 3.423 20 0 EGADMP COc1ccc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1OC(F)F ZINC000903959553 1317757402 /nfs/dbraw/zinc/75/74/02/1317757402.db2.gz JOGZYQXXAJGFEM-GOSISDBHSA-N 2 1 340.414 3.262 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1OC(F)F ZINC000903959553 1317757408 /nfs/dbraw/zinc/75/74/08/1317757408.db2.gz JOGZYQXXAJGFEM-GOSISDBHSA-N 2 1 340.414 3.262 20 0 EGADMP CC[NH+](CC)CCOc1ccc(-c2noc([C@@H]([NH3+])CC3CC3)n2)cc1 ZINC000904100306 1317788575 /nfs/dbraw/zinc/78/85/75/1317788575.db2.gz AMFPTSZACIUBER-KRWDZBQOSA-N 2 1 344.459 3.257 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001020591482 1317791897 /nfs/dbraw/zinc/79/18/97/1317791897.db2.gz OVGUIRJORUBQCE-FCGDIQPGSA-N 2 1 349.563 3.172 20 0 EGADMP COc1cc(C[N@H+](C)C[C@@]2(C)CCC[NH2+]C2)ccc1OC(F)F ZINC000904304325 1317827042 /nfs/dbraw/zinc/82/70/42/1317827042.db2.gz YYWWLQYOPHRDFI-KRWDZBQOSA-N 2 1 328.403 3.118 20 0 EGADMP COc1cc(C[N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)ccc1OC(F)F ZINC000904304325 1317827048 /nfs/dbraw/zinc/82/70/48/1317827048.db2.gz YYWWLQYOPHRDFI-KRWDZBQOSA-N 2 1 328.403 3.118 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020675957 1317851884 /nfs/dbraw/zinc/85/18/84/1317851884.db2.gz MNANXXGIIBPDGN-VAMGGRTRSA-N 2 1 349.563 3.457 20 0 EGADMP Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)cs1 ZINC001020675665 1317852198 /nfs/dbraw/zinc/85/21/98/1317852198.db2.gz AGCGXAUEXOCRED-KZNAEPCWSA-N 2 1 349.544 3.056 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001021096378 1318081068 /nfs/dbraw/zinc/08/10/68/1318081068.db2.gz PZVQNZNCOAHMAT-FHWLQOOXSA-N 2 1 335.536 3.068 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001021211017 1318141776 /nfs/dbraw/zinc/14/17/76/1318141776.db2.gz PGAGJCLNXZGKHZ-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001021211017 1318141786 /nfs/dbraw/zinc/14/17/86/1318141786.db2.gz PGAGJCLNXZGKHZ-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1 ZINC001021211017 1318141794 /nfs/dbraw/zinc/14/17/94/1318141794.db2.gz PGAGJCLNXZGKHZ-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001021211285 1318142429 /nfs/dbraw/zinc/14/24/29/1318142429.db2.gz UNDZZRIUOWNNEO-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001021299933 1318177042 /nfs/dbraw/zinc/17/70/42/1318177042.db2.gz YOCVEUPLXFQIPB-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001021299933 1318177047 /nfs/dbraw/zinc/17/70/47/1318177047.db2.gz YOCVEUPLXFQIPB-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001021299933 1318177052 /nfs/dbraw/zinc/17/70/52/1318177052.db2.gz YOCVEUPLXFQIPB-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001021302537 1318178484 /nfs/dbraw/zinc/17/84/84/1318178484.db2.gz JTYBQFBCMHTPOP-RAFMOHDBSA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001021302537 1318178486 /nfs/dbraw/zinc/17/84/86/1318178486.db2.gz JTYBQFBCMHTPOP-RAFMOHDBSA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001021302537 1318178490 /nfs/dbraw/zinc/17/84/90/1318178490.db2.gz JTYBQFBCMHTPOP-RAFMOHDBSA-N 2 1 345.531 3.083 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC(C)(C)C1 ZINC001021303485 1318179522 /nfs/dbraw/zinc/17/95/22/1318179522.db2.gz XPCNPFUWCXROSB-IPQPSQTFSA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1 ZINC001021303485 1318179531 /nfs/dbraw/zinc/17/95/31/1318179531.db2.gz XPCNPFUWCXROSB-IPQPSQTFSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000907283761 1318207136 /nfs/dbraw/zinc/20/71/36/1318207136.db2.gz HVFWTLQITLEEKJ-IRXDYDNUSA-N 2 1 335.536 3.020 20 0 EGADMP O=C(C[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1 ZINC001021461425 1318266215 /nfs/dbraw/zinc/26/62/15/1318266215.db2.gz IAQLTFLOZKCFJH-IHWFROFDSA-N 2 1 347.547 3.164 20 0 EGADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCCC[C@H]1C[NH2+]CC1CC1 ZINC000960013369 1318310923 /nfs/dbraw/zinc/31/09/23/1318310923.db2.gz MSPHYPBEEHGJEY-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)C1 ZINC000908504472 1318356738 /nfs/dbraw/zinc/35/67/38/1318356738.db2.gz YJYOEQDAJICMHN-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC000960132159 1318374017 /nfs/dbraw/zinc/37/40/17/1318374017.db2.gz SGMJIWWUUVPGHP-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021605786 1318452975 /nfs/dbraw/zinc/45/29/75/1318452975.db2.gz NMNHOHAMBXURKX-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021605786 1318452979 /nfs/dbraw/zinc/45/29/79/1318452979.db2.gz NMNHOHAMBXURKX-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021605786 1318452985 /nfs/dbraw/zinc/45/29/85/1318452985.db2.gz NMNHOHAMBXURKX-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC2CC(C)(C)C2)CC[N@H+]1C ZINC000960646427 1318766255 /nfs/dbraw/zinc/76/62/55/1318766255.db2.gz YLUUBQDGTWCVIU-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CC(C)(C)C2)CC[NH+]1C ZINC000960646427 1318766263 /nfs/dbraw/zinc/76/62/63/1318766263.db2.gz YLUUBQDGTWCVIU-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CC(C)(C)C2)CC[NH+]1C ZINC000960646427 1318766275 /nfs/dbraw/zinc/76/62/75/1318766275.db2.gz YLUUBQDGTWCVIU-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP C[N@@H+](CC1CCC1)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000960685803 1318793367 /nfs/dbraw/zinc/79/33/67/1318793367.db2.gz WFYXYYQEHNJJQQ-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CCC1)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000960685803 1318793369 /nfs/dbraw/zinc/79/33/69/1318793369.db2.gz WFYXYYQEHNJJQQ-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CCC1)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000960685803 1318793375 /nfs/dbraw/zinc/79/33/75/1318793375.db2.gz WFYXYYQEHNJJQQ-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC2CCCC2)C1 ZINC000960688240 1318793927 /nfs/dbraw/zinc/79/39/27/1318793927.db2.gz FNMOGOSGJWHTGQ-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCCC2)C1 ZINC000960688240 1318793932 /nfs/dbraw/zinc/79/39/32/1318793932.db2.gz FNMOGOSGJWHTGQ-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCCC2)C1 ZINC000960688240 1318793938 /nfs/dbraw/zinc/79/39/38/1318793938.db2.gz FNMOGOSGJWHTGQ-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3cccc(C)c3)C2)CC[N@H+]1C ZINC001022109350 1318797912 /nfs/dbraw/zinc/79/79/12/1318797912.db2.gz LRLSHNMSMGIMFB-LFZDHENXSA-N 2 1 343.515 3.023 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2)CC1CCCCC1 ZINC000960731523 1318832917 /nfs/dbraw/zinc/83/29/17/1318832917.db2.gz VZNVFQHVRIJHIF-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@H]1CCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC000960741966 1318845199 /nfs/dbraw/zinc/84/51/99/1318845199.db2.gz VYCRXAZCQLMLLY-GOSISDBHSA-N 2 1 340.471 3.061 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)c1cccc(Cl)c1 ZINC001022291363 1318881440 /nfs/dbraw/zinc/88/14/40/1318881440.db2.gz YFTGCPXSFSHQQU-ZSGPHXLJSA-N 2 1 349.906 3.122 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001022350687 1318901920 /nfs/dbraw/zinc/90/19/20/1318901920.db2.gz NKLKQTCYSNLRMX-ZCNNSNEGSA-N 2 1 347.547 3.234 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000913160325 1318980041 /nfs/dbraw/zinc/98/00/41/1318980041.db2.gz XXSZAXMNHJCPDD-GOSISDBHSA-N 2 1 340.471 3.038 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815560562 1319016559 /nfs/dbraw/zinc/01/65/59/1319016559.db2.gz KHRQAWDTPQTHNQ-WDYCEAGBSA-N 2 1 343.471 3.311 20 0 EGADMP C[N@@H+](C[C@H]1CCCN1C(=O)C[NH+]1CCCC1)CC1CCC(C)(C)CC1 ZINC000961027867 1319150811 /nfs/dbraw/zinc/15/08/11/1319150811.db2.gz LHVMPSDUEMGZOY-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224789 1319351406 /nfs/dbraw/zinc/35/14/06/1319351406.db2.gz FCFUIQHORBQAKN-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001023274261 1319407740 /nfs/dbraw/zinc/40/77/40/1319407740.db2.gz WPEUNVAZZVLTOU-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001023274261 1319407744 /nfs/dbraw/zinc/40/77/44/1319407744.db2.gz WPEUNVAZZVLTOU-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001023274261 1319407750 /nfs/dbraw/zinc/40/77/50/1319407750.db2.gz WPEUNVAZZVLTOU-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961294086 1319456769 /nfs/dbraw/zinc/45/67/69/1319456769.db2.gz SWKQWIFTNLKVKD-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)c2ccccc21 ZINC000817929444 1319462590 /nfs/dbraw/zinc/46/25/90/1319462590.db2.gz HUYJYTZVEFBGCK-IKGGRYGDSA-N 2 1 347.256 3.217 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001023402568 1319508608 /nfs/dbraw/zinc/50/86/08/1319508608.db2.gz OGAMBSVUVXQVOY-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001023402568 1319508617 /nfs/dbraw/zinc/50/86/17/1319508617.db2.gz OGAMBSVUVXQVOY-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001023402568 1319508622 /nfs/dbraw/zinc/50/86/22/1319508622.db2.gz OGAMBSVUVXQVOY-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414514 1319519329 /nfs/dbraw/zinc/51/93/29/1319519329.db2.gz VASGPSZZZLJEFD-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414514 1319519336 /nfs/dbraw/zinc/51/93/36/1319519336.db2.gz VASGPSZZZLJEFD-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414514 1319519341 /nfs/dbraw/zinc/51/93/41/1319519341.db2.gz VASGPSZZZLJEFD-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)sc2nc(C)nc(C)c12 ZINC000915681878 1319520027 /nfs/dbraw/zinc/52/00/27/1319520027.db2.gz GNBOQJUMGWSYDC-LSDHHAIUSA-N 2 1 330.501 3.333 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961373351 1319530103 /nfs/dbraw/zinc/53/01/03/1319530103.db2.gz GVLGSFDZROVMTH-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961373351 1319530105 /nfs/dbraw/zinc/53/01/05/1319530105.db2.gz GVLGSFDZROVMTH-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000961373351 1319530112 /nfs/dbraw/zinc/53/01/12/1319530112.db2.gz GVLGSFDZROVMTH-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC000961395445 1319552141 /nfs/dbraw/zinc/55/21/41/1319552141.db2.gz JLLKISSUBRQZGE-IHPCNDPISA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC000961395445 1319552152 /nfs/dbraw/zinc/55/21/52/1319552152.db2.gz JLLKISSUBRQZGE-IHPCNDPISA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000961395445 1319552161 /nfs/dbraw/zinc/55/21/61/1319552161.db2.gz JLLKISSUBRQZGE-IHPCNDPISA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC000961395446 1319552408 /nfs/dbraw/zinc/55/24/08/1319552408.db2.gz JLLKISSUBRQZGE-YSIASYRMSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC000961395446 1319552413 /nfs/dbraw/zinc/55/24/13/1319552413.db2.gz JLLKISSUBRQZGE-YSIASYRMSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000961395446 1319552418 /nfs/dbraw/zinc/55/24/18/1319552418.db2.gz JLLKISSUBRQZGE-YSIASYRMSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000818985892 1319604949 /nfs/dbraw/zinc/60/49/49/1319604949.db2.gz ZIBFGGHSSCMZHJ-SUMWQHHRSA-N 2 1 328.859 3.223 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023508184 1319618172 /nfs/dbraw/zinc/61/81/72/1319618172.db2.gz KNEUFYQZOGKGAV-SFHVURJKSA-N 2 1 345.531 3.033 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000819182909 1319659995 /nfs/dbraw/zinc/65/99/95/1319659995.db2.gz RWQVOYYREUGJKO-RDTXWAMCSA-N 2 1 342.886 3.470 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000819366160 1319710343 /nfs/dbraw/zinc/71/03/43/1319710343.db2.gz KERGONGRZWMHMF-BBRMVZONSA-N 2 1 330.394 3.060 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632257 1319753361 /nfs/dbraw/zinc/75/33/61/1319753361.db2.gz IDTKPZURVXEGAS-RTBURBONSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632257 1319753364 /nfs/dbraw/zinc/75/33/64/1319753364.db2.gz IDTKPZURVXEGAS-RTBURBONSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632257 1319753371 /nfs/dbraw/zinc/75/33/71/1319753371.db2.gz IDTKPZURVXEGAS-RTBURBONSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1 ZINC000961924025 1319774834 /nfs/dbraw/zinc/77/48/34/1319774834.db2.gz KFTKXPPUNKTXFX-MHJFOBGBSA-N 2 1 347.547 3.234 20 0 EGADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820814112 1319959778 /nfs/dbraw/zinc/95/97/78/1319959778.db2.gz FSYBMTOXGWQVLT-IOHIJNGWSA-N 2 1 332.463 3.385 20 0 EGADMP C[NH+]1CCN(c2ccc(NC3CC[NH+](C4CC4)CC3)cc2Cl)CC1 ZINC000838880136 1320829175 /nfs/dbraw/zinc/82/91/75/1320829175.db2.gz ZTKXUAHDMAFANI-UHFFFAOYSA-N 2 1 348.922 3.131 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839679493 1320959780 /nfs/dbraw/zinc/95/97/80/1320959780.db2.gz NVDIOQYWQADSPZ-IBGZPJMESA-N 2 1 348.491 3.057 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839679493 1320959787 /nfs/dbraw/zinc/95/97/87/1320959787.db2.gz NVDIOQYWQADSPZ-IBGZPJMESA-N 2 1 348.491 3.057 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC(=O)CC ZINC000840882380 1321169360 /nfs/dbraw/zinc/16/93/60/1321169360.db2.gz VCOQIXRWYQSIES-DLBZAZTESA-N 2 1 346.471 3.117 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC(=O)CC ZINC000840882380 1321169364 /nfs/dbraw/zinc/16/93/64/1321169364.db2.gz VCOQIXRWYQSIES-DLBZAZTESA-N 2 1 346.471 3.117 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000859214688 1328947773 /nfs/dbraw/zinc/94/77/73/1328947773.db2.gz MIDAZYKMCABDJI-UHFFFAOYSA-N 2 1 347.409 3.097 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000859214688 1328947776 /nfs/dbraw/zinc/94/77/76/1328947776.db2.gz MIDAZYKMCABDJI-UHFFFAOYSA-N 2 1 347.409 3.097 20 0 EGADMP Cc1[nH+]ccn1CCOC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000842337685 1321374177 /nfs/dbraw/zinc/37/41/77/1321374177.db2.gz CQTDIOKFQRLXIS-UHFFFAOYSA-N 2 1 327.428 3.034 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc(=O)oc2c1 ZINC000842474050 1321393409 /nfs/dbraw/zinc/39/34/09/1321393409.db2.gz CFIXVYMVBHVEAE-CRAIPNDOSA-N 2 1 326.440 3.065 20 0 EGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(OCC(F)(F)F)cc1 ZINC000843054025 1321462867 /nfs/dbraw/zinc/46/28/67/1321462867.db2.gz PTLOCAGURHPKJG-GOOCMWNKSA-N 2 1 328.378 3.472 20 0 EGADMP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843378132 1321508462 /nfs/dbraw/zinc/50/84/62/1321508462.db2.gz SQTPTHBHLKUGAI-HZPDHXFCSA-N 2 1 331.504 3.372 20 0 EGADMP C[N@@H+](CCCCCC[NH3+])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000846218930 1321777276 /nfs/dbraw/zinc/77/72/76/1321777276.db2.gz ZICMOLNEBLIKHM-JKSUJKDBSA-N 2 1 331.287 3.402 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)nc(Cl)c2)C1 ZINC000846226873 1321778162 /nfs/dbraw/zinc/77/81/62/1321778162.db2.gz DDNAFAYCHNUCDH-MCIONIFRSA-N 2 1 344.286 3.249 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)nc(Cl)c2)C1 ZINC000846226873 1321778165 /nfs/dbraw/zinc/77/81/65/1321778165.db2.gz DDNAFAYCHNUCDH-MCIONIFRSA-N 2 1 344.286 3.249 20 0 EGADMP COC(=O)/C=C/c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000848901726 1322038516 /nfs/dbraw/zinc/03/85/16/1322038516.db2.gz ATRNKZIRWQJIRP-PCCNWKQFSA-N 2 1 346.471 3.208 20 0 EGADMP COC(=O)/C=C/c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000848901726 1322038521 /nfs/dbraw/zinc/03/85/21/1322038521.db2.gz ATRNKZIRWQJIRP-PCCNWKQFSA-N 2 1 346.471 3.208 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])NC3CCCC3)cc2)C1 ZINC000848999434 1322057514 /nfs/dbraw/zinc/05/75/14/1322057514.db2.gz FJNNBFISUFUTCE-MRXNPFEDSA-N 2 1 328.504 3.475 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCc1ccc(Cl)s1 ZINC000849002025 1322057592 /nfs/dbraw/zinc/05/75/92/1322057592.db2.gz HIVTVKCNZIJFAY-CYBMUJFWSA-N 2 1 342.940 3.322 20 0 EGADMP CC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000849012899 1322057790 /nfs/dbraw/zinc/05/77/90/1322057790.db2.gz QFHADNVGTRHFTD-WBVHZDCISA-N 2 1 332.492 3.135 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849050922 1322058538 /nfs/dbraw/zinc/05/85/38/1322058538.db2.gz OKXDNPNRJJACNF-ZDUSSCGKSA-N 2 1 344.381 3.396 20 0 EGADMP Cc1ccc([C@@H](CNC(=[NH2+])NCc2ccc(C)cc2)[NH+]2CCCC2)o1 ZINC000849074546 1322067129 /nfs/dbraw/zinc/06/71/29/1322067129.db2.gz WPORQKGSYFXKQP-GOSISDBHSA-N 2 1 340.471 3.348 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000849091168 1322075642 /nfs/dbraw/zinc/07/56/42/1322075642.db2.gz XJLDURXUBVBWGC-FUHWJXTLSA-N 2 1 344.503 3.279 20 0 EGADMP Cc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000849101063 1322078611 /nfs/dbraw/zinc/07/86/11/1322078611.db2.gz HLGHBTRWGZKSEU-FQEVSTJZSA-N 2 1 336.483 3.274 20 0 EGADMP CCc1cccc(CC)c1NC(=[NH2+])NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000849104844 1322080329 /nfs/dbraw/zinc/08/03/29/1322080329.db2.gz YUOQBCMWSJCCRQ-INIZCTEOSA-N 2 1 346.519 3.249 20 0 EGADMP COc1ccc(NC(=[NH2+])NCC[N@H+]2CCCC(C)(C)C2)cc1Cl ZINC000849105209 1322080384 /nfs/dbraw/zinc/08/03/84/1322080384.db2.gz HQSKDCWODJMDOF-UHFFFAOYSA-N 2 1 338.883 3.407 20 0 EGADMP Cc1[nH+]cc(CNc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)n1C ZINC000850169791 1322201352 /nfs/dbraw/zinc/20/13/52/1322201352.db2.gz QATRUYGLVGHFED-OAHLLOKOSA-N 2 1 328.460 3.061 20 0 EGADMP Cc1[nH+]cc(CNc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)n1C ZINC000850169791 1322201358 /nfs/dbraw/zinc/20/13/58/1322201358.db2.gz QATRUYGLVGHFED-OAHLLOKOSA-N 2 1 328.460 3.061 20 0 EGADMP C[NH+](C)CCOc1ccc(NCc2c[nH+]c3n2CCC3)cc1Cl ZINC000850208240 1322205464 /nfs/dbraw/zinc/20/54/64/1322205464.db2.gz HCUSWHANSPMOFD-UHFFFAOYSA-N 2 1 334.851 3.035 20 0 EGADMP CCOC(=O)NC1CCC([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000850423543 1322245218 /nfs/dbraw/zinc/24/52/18/1322245218.db2.gz BJGOPAHFXGEPNU-DAWZGUTISA-N 2 1 339.524 3.144 20 0 EGADMP CCOC(=O)NC1CCC([NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000850425394 1322246552 /nfs/dbraw/zinc/24/65/52/1322246552.db2.gz LZRRDOHMWSCXTR-BOMAWHNGSA-N 2 1 339.524 3.144 20 0 EGADMP CC(C)(C)C[C@H](NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923493037 1322761191 /nfs/dbraw/zinc/76/11/91/1322761191.db2.gz QERJFKCYSJOMGW-YJBOKZPZSA-N 2 1 349.494 3.090 20 0 EGADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000923491709 1322761893 /nfs/dbraw/zinc/76/18/93/1322761893.db2.gz MEFPILXYAZOUNZ-UTKZUKDTSA-N 2 1 343.515 3.095 20 0 EGADMP C[C@]1(Cc2cc(Cl)cs2)CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000923532021 1322770437 /nfs/dbraw/zinc/77/04/37/1322770437.db2.gz XLNFDIOGOZFMOU-GDBMZVCRSA-N 2 1 340.920 3.320 20 0 EGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)c3ncco3)CC2)c1 ZINC000924614496 1323076185 /nfs/dbraw/zinc/07/61/85/1323076185.db2.gz RKXJASUJOFYOML-GOSISDBHSA-N 2 1 342.487 3.236 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001024047437 1323097289 /nfs/dbraw/zinc/09/72/89/1323097289.db2.gz SVGNGIDIMAHBOP-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCC[C@H](C[NH2+]CC2CC2)C1 ZINC001024118600 1323148859 /nfs/dbraw/zinc/14/88/59/1323148859.db2.gz GMAKMJRQENKOMQ-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCC[C@@H](C[NH2+]CC2CC2)C1 ZINC001024118598 1323148869 /nfs/dbraw/zinc/14/88/69/1323148869.db2.gz GMAKMJRQENKOMQ-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H](Cc1ccccn1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000924778609 1323159115 /nfs/dbraw/zinc/15/91/15/1323159115.db2.gz VCHVAMVJDWDKPB-ZWKOTPCHSA-N 2 1 339.483 3.023 20 0 EGADMP C[C@@H](Cc1ccccn1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000924778609 1323159120 /nfs/dbraw/zinc/15/91/20/1323159120.db2.gz VCHVAMVJDWDKPB-ZWKOTPCHSA-N 2 1 339.483 3.023 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CCC[C@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC001024156368 1323178996 /nfs/dbraw/zinc/17/89/96/1323178996.db2.gz MEGJEIIURWKYNE-LJQANCHMSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000924854101 1323187870 /nfs/dbraw/zinc/18/78/70/1323187870.db2.gz RRZVZKYGODEKQN-WMZOPIPTSA-N 2 1 325.456 3.350 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC000963158266 1323219834 /nfs/dbraw/zinc/21/98/34/1323219834.db2.gz WHNQFQWHONXEFV-CTWPCTMYSA-N 2 1 335.536 3.020 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC000963157793 1323219863 /nfs/dbraw/zinc/21/98/63/1323219863.db2.gz RJHYZJWTKZMQDJ-CTWPCTMYSA-N 2 1 347.547 3.020 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC000963155850 1323220275 /nfs/dbraw/zinc/22/02/75/1323220275.db2.gz CQOFNGVNBXFSRZ-ACBHZAAOSA-N 2 1 335.536 3.020 20 0 EGADMP O[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000852745422 1323234146 /nfs/dbraw/zinc/23/41/46/1323234146.db2.gz UYFNQLJINKWIJG-FCHUYYIVSA-N 2 1 336.479 3.420 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCCC1 ZINC001024366600 1323340261 /nfs/dbraw/zinc/34/02/61/1323340261.db2.gz TXXLGKYGCMINAB-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCCC1 ZINC001024366600 1323340264 /nfs/dbraw/zinc/34/02/64/1323340264.db2.gz TXXLGKYGCMINAB-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCCC1 ZINC001024366600 1323340271 /nfs/dbraw/zinc/34/02/71/1323340271.db2.gz TXXLGKYGCMINAB-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCC2(CC2)CC1 ZINC001024366701 1323340860 /nfs/dbraw/zinc/34/08/60/1323340860.db2.gz UTHUIZWOATYUQX-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001024366701 1323340871 /nfs/dbraw/zinc/34/08/71/1323340871.db2.gz UTHUIZWOATYUQX-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCC2(CC2)CC1 ZINC001024366701 1323340876 /nfs/dbraw/zinc/34/08/76/1323340876.db2.gz UTHUIZWOATYUQX-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024436436 1323396459 /nfs/dbraw/zinc/39/64/59/1323396459.db2.gz DCEYSOYWWKEORF-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001024436436 1323396463 /nfs/dbraw/zinc/39/64/63/1323396463.db2.gz DCEYSOYWWKEORF-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001024436436 1323396470 /nfs/dbraw/zinc/39/64/70/1323396470.db2.gz DCEYSOYWWKEORF-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024502702 1323450653 /nfs/dbraw/zinc/45/06/53/1323450653.db2.gz QEOFXSSUSTZZRN-SFHVURJKSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1CC1CC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024617463 1323545823 /nfs/dbraw/zinc/54/58/23/1323545823.db2.gz GYHJSKJAJUSYNV-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCCC[NH+]1CC1CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617463 1323545824 /nfs/dbraw/zinc/54/58/24/1323545824.db2.gz GYHJSKJAJUSYNV-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCCC[NH+]1CC1CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617463 1323545826 /nfs/dbraw/zinc/54/58/26/1323545826.db2.gz GYHJSKJAJUSYNV-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024812629 1323715766 /nfs/dbraw/zinc/71/57/66/1323715766.db2.gz QGFFWXFCYMZDOG-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC001024812629 1323715770 /nfs/dbraw/zinc/71/57/70/1323715770.db2.gz QGFFWXFCYMZDOG-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCC1CCC1 ZINC001024812629 1323715774 /nfs/dbraw/zinc/71/57/74/1323715774.db2.gz QGFFWXFCYMZDOG-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001024979154 1323811347 /nfs/dbraw/zinc/81/13/47/1323811347.db2.gz MOXWZCLMCKXQEH-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001024979765 1323812116 /nfs/dbraw/zinc/81/21/16/1323812116.db2.gz YISWUFSRFOFGMP-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001024984652 1323813809 /nfs/dbraw/zinc/81/38/09/1323813809.db2.gz HSDAJIAJBKJYDB-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP Cc1ccc(-c2noc([C@@H](C)[N@@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)n2)cc1F ZINC000931432918 1329116616 /nfs/dbraw/zinc/11/66/16/1329116616.db2.gz JZBPEGXYWPWIBF-VNQPRFMTSA-N 2 1 344.434 3.129 20 0 EGADMP Cc1ccc(-c2noc([C@@H](C)[N@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)n2)cc1F ZINC000931432918 1329116620 /nfs/dbraw/zinc/11/66/20/1329116620.db2.gz JZBPEGXYWPWIBF-VNQPRFMTSA-N 2 1 344.434 3.129 20 0 EGADMP Cc1ccc(-c2noc([C@@H](C)[NH+]3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)n2)cc1F ZINC000931432918 1329116622 /nfs/dbraw/zinc/11/66/22/1329116622.db2.gz JZBPEGXYWPWIBF-VNQPRFMTSA-N 2 1 344.434 3.129 20 0 EGADMP Cc1ccc(-c2noc([C@@H](C)[NH+]3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)n2)cc1F ZINC000931432918 1329116626 /nfs/dbraw/zinc/11/66/26/1329116626.db2.gz JZBPEGXYWPWIBF-VNQPRFMTSA-N 2 1 344.434 3.129 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCc4ccncc4)cc3)C[C@@H]2C1 ZINC000931440626 1329118435 /nfs/dbraw/zinc/11/84/35/1329118435.db2.gz YZAYVEQYUJJDDD-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001025232885 1324018935 /nfs/dbraw/zinc/01/89/35/1324018935.db2.gz RAPPECMVEVRPAP-MSOLQXFVSA-N 2 1 335.536 3.116 20 0 EGADMP C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931480896 1329127759 /nfs/dbraw/zinc/12/77/59/1329127759.db2.gz LMNZTPLAZSMDMA-GFCCVEGCSA-N 2 1 331.287 3.443 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCCC[C@@H]2[C@H]2CCC[N@H+]2CCC2CC2)CCC1 ZINC001025241101 1324036386 /nfs/dbraw/zinc/03/63/86/1324036386.db2.gz UPDZQGNMADLZGA-RTBURBONSA-N 2 1 347.547 3.116 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+]1CCC(C)C ZINC001025251753 1324056389 /nfs/dbraw/zinc/05/63/89/1324056389.db2.gz KJJDAUJXFXQNFL-RTBURBONSA-N 2 1 346.519 3.083 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCC(C)C ZINC001025251753 1324056396 /nfs/dbraw/zinc/05/63/96/1324056396.db2.gz KJJDAUJXFXQNFL-RTBURBONSA-N 2 1 346.519 3.083 20 0 EGADMP Nc1ccnc2c1CN(Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000931516682 1329133879 /nfs/dbraw/zinc/13/38/79/1329133879.db2.gz YNEHCFIUIMFPOX-UHFFFAOYSA-N 3 1 336.483 3.208 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300970 1324134002 /nfs/dbraw/zinc/13/40/02/1324134002.db2.gz GQDVGKQXSMNKHV-RBUKOAKNSA-N 2 1 335.536 3.118 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025589362 1324433786 /nfs/dbraw/zinc/43/37/86/1324433786.db2.gz FIPBWJLCUDAJBO-XLIONFOSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026507655 1324854972 /nfs/dbraw/zinc/85/49/72/1324854972.db2.gz YNYQZIOGVVUHTE-MHJFOBGBSA-N 2 1 349.563 3.457 20 0 EGADMP CCO[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)C1CCCC1 ZINC000925205452 1325080056 /nfs/dbraw/zinc/08/00/56/1325080056.db2.gz IWARNIJCZSDWGI-NXEWRWPSSA-N 2 1 338.536 3.203 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963345015 1325135133 /nfs/dbraw/zinc/13/51/33/1325135133.db2.gz CLSGESLVRMBAMN-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963347065 1325137856 /nfs/dbraw/zinc/13/78/56/1325137856.db2.gz NOUYAGKYSFUBMX-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP COCCOC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925470883 1325165584 /nfs/dbraw/zinc/16/55/84/1325165584.db2.gz OWFUIEWKLSJXED-LBFURVHYSA-N 2 1 346.515 3.213 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cc1 ZINC000925504184 1325181322 /nfs/dbraw/zinc/18/13/22/1325181322.db2.gz KWBJATKMAJNTDY-PCCBWWKXSA-N 2 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cc1 ZINC000925504184 1325181325 /nfs/dbraw/zinc/18/13/25/1325181325.db2.gz KWBJATKMAJNTDY-PCCBWWKXSA-N 2 1 327.516 3.019 20 0 EGADMP CCCCCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)c(C)n1 ZINC000925674067 1325258454 /nfs/dbraw/zinc/25/84/54/1325258454.db2.gz QCUVSZUEKKWGHF-IHWFROFDSA-N 2 1 348.535 3.113 20 0 EGADMP CCCCCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)c(C)n1 ZINC000925674067 1325258463 /nfs/dbraw/zinc/25/84/63/1325258463.db2.gz QCUVSZUEKKWGHF-IHWFROFDSA-N 2 1 348.535 3.113 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCc3nc4c(s3)CCC4)CC[NH2+]2)cc1 ZINC000925832531 1325320912 /nfs/dbraw/zinc/32/09/12/1325320912.db2.gz RWRZCTZMYIOLOU-RDJZCZTQSA-N 2 1 327.497 3.257 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC000963907686 1325431563 /nfs/dbraw/zinc/43/15/63/1325431563.db2.gz HZABVMUZYSRZJS-QHGAOEGBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+](CCNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)C(C)C ZINC000856725485 1325513814 /nfs/dbraw/zinc/51/38/14/1325513814.db2.gz LYGMJAIVFOHVAY-HXUWFJFHSA-N 2 1 345.531 3.344 20 0 EGADMP COc1nc(C)cc(C)c1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000857069285 1325568092 /nfs/dbraw/zinc/56/80/92/1325568092.db2.gz XFNJZVSLWSTLRV-UHFFFAOYSA-N 2 1 327.472 3.401 20 0 EGADMP COc1nc(C)cc(C)c1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000857069285 1325568103 /nfs/dbraw/zinc/56/81/03/1325568103.db2.gz XFNJZVSLWSTLRV-UHFFFAOYSA-N 2 1 327.472 3.401 20 0 EGADMP CC[C@H](C[NH+]1CCCC1)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857132261 1325577873 /nfs/dbraw/zinc/57/78/73/1325577873.db2.gz ZIJLMFSAUVYKOA-VQTJNVASSA-N 2 1 343.515 3.100 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2ccsc2)C1 ZINC001027409590 1327635983 /nfs/dbraw/zinc/63/59/83/1327635983.db2.gz LJMWLUBVXFFDBG-QZTJIDSGSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccsc2)C1 ZINC001027409590 1327635992 /nfs/dbraw/zinc/63/59/92/1327635992.db2.gz LJMWLUBVXFFDBG-QZTJIDSGSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccsc2)C1 ZINC001027409590 1327636008 /nfs/dbraw/zinc/63/60/08/1327636008.db2.gz LJMWLUBVXFFDBG-QZTJIDSGSA-N 2 1 349.544 3.044 20 0 EGADMP CC1CCC(C[N@@H+](C)[C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)CC1 ZINC001027441245 1327680951 /nfs/dbraw/zinc/68/09/51/1327680951.db2.gz CBENTSRCXLLKHM-AFMYVXGZSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CCC(C[NH+](C)[C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001027441245 1327680958 /nfs/dbraw/zinc/68/09/58/1327680958.db2.gz CBENTSRCXLLKHM-AFMYVXGZSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CCC(C[NH+](C)[C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001027441245 1327680965 /nfs/dbraw/zinc/68/09/65/1327680965.db2.gz CBENTSRCXLLKHM-AFMYVXGZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)[NH+](C)C ZINC001027452747 1327693439 /nfs/dbraw/zinc/69/34/39/1327693439.db2.gz UEMQNWATBNKTLO-MOPGFXCFSA-N 2 1 349.563 3.076 20 0 EGADMP Cc1c(Br)cccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000926909453 1327770823 /nfs/dbraw/zinc/77/08/23/1327770823.db2.gz CDNBEEXLASZJLP-IUODEOHRSA-N 2 1 325.294 3.372 20 0 EGADMP CCOCCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000927086704 1327853397 /nfs/dbraw/zinc/85/33/97/1327853397.db2.gz MPVDAKADCINDLI-PWRODBHTSA-N 2 1 346.515 3.072 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CCC3CCCC3)C2)CC[N@H+]1C ZINC001027548053 1327854942 /nfs/dbraw/zinc/85/49/42/1327854942.db2.gz ZSGZSNOVYNFEJH-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)CCC3CCCC3)C2)CC[NH+]1C ZINC001027548053 1327854949 /nfs/dbraw/zinc/85/49/49/1327854949.db2.gz ZSGZSNOVYNFEJH-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)CCC3CCCC3)C2)CC[NH+]1C ZINC001027548053 1327854958 /nfs/dbraw/zinc/85/49/58/1327854958.db2.gz ZSGZSNOVYNFEJH-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)c1 ZINC001027682558 1328081239 /nfs/dbraw/zinc/08/12/39/1328081239.db2.gz RDZGIAGVLQZMMQ-QUCCMNQESA-N 2 1 343.515 3.075 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966071924 1328169195 /nfs/dbraw/zinc/16/91/95/1328169195.db2.gz BRYCZUSSTNRVHW-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027878773 1328344102 /nfs/dbraw/zinc/34/41/02/1328344102.db2.gz ILEUTCBBOYWDLO-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC001027878773 1328344109 /nfs/dbraw/zinc/34/41/09/1328344109.db2.gz ILEUTCBBOYWDLO-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCCC1 ZINC001027878773 1328344115 /nfs/dbraw/zinc/34/41/15/1328344115.db2.gz ILEUTCBBOYWDLO-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001027879133 1328344949 /nfs/dbraw/zinc/34/49/49/1328344949.db2.gz NOIWETQPLHGXRL-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001027879133 1328344957 /nfs/dbraw/zinc/34/49/57/1328344957.db2.gz NOIWETQPLHGXRL-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CC2(CCC2)C1 ZINC001027879133 1328344961 /nfs/dbraw/zinc/34/49/61/1328344961.db2.gz NOIWETQPLHGXRL-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1csc(C)c1 ZINC001027919644 1328399018 /nfs/dbraw/zinc/39/90/18/1328399018.db2.gz ZDQFDQOPQSDULD-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1csc(C)c1 ZINC001027919644 1328399023 /nfs/dbraw/zinc/39/90/23/1328399023.db2.gz ZDQFDQOPQSDULD-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1csc(C)c1 ZINC001027919644 1328399032 /nfs/dbraw/zinc/39/90/32/1328399032.db2.gz ZDQFDQOPQSDULD-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCC(C)(C)CC1 ZINC001027971679 1328444700 /nfs/dbraw/zinc/44/47/00/1328444700.db2.gz JUUKBUMYYXXHHW-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001027971679 1328444707 /nfs/dbraw/zinc/44/47/07/1328444707.db2.gz JUUKBUMYYXXHHW-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCC(C)(C)CC1 ZINC001027971679 1328444714 /nfs/dbraw/zinc/44/47/14/1328444714.db2.gz JUUKBUMYYXXHHW-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCC1 ZINC001049760687 1348005956 /nfs/dbraw/zinc/00/59/56/1348005956.db2.gz BAQHJICMLXIOAG-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCC1 ZINC001049760687 1348005961 /nfs/dbraw/zinc/00/59/61/1348005961.db2.gz BAQHJICMLXIOAG-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCC1 ZINC001049760687 1348005962 /nfs/dbraw/zinc/00/59/62/1348005962.db2.gz BAQHJICMLXIOAG-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(CC[NH+]1CCn2cccc2C1)CC[N@H+]1CCn2cccc2C1 ZINC000932524474 1329820157 /nfs/dbraw/zinc/82/01/57/1329820157.db2.gz KXVGBCCLCJPOAJ-UHFFFAOYSA-N 2 1 326.488 3.037 20 0 EGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000933624618 1329907055 /nfs/dbraw/zinc/90/70/55/1329907055.db2.gz YBFPQJTVRUEFHG-KRWDZBQOSA-N 2 1 347.503 3.212 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)C1 ZINC000933780297 1329922647 /nfs/dbraw/zinc/92/26/47/1329922647.db2.gz XFCZEDQKXMNKRK-KRWDZBQOSA-N 2 1 347.503 3.069 20 0 EGADMP CCC[N@@H+](CC[C@@H]1CCOC1=O)C1CCN(Cc2ccccc2)CC1 ZINC000934190023 1329953753 /nfs/dbraw/zinc/95/37/53/1329953753.db2.gz UUOKVOXNMSEAEZ-LJQANCHMSA-N 2 1 344.499 3.316 20 0 EGADMP Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000866665889 1330139100 /nfs/dbraw/zinc/13/91/00/1330139100.db2.gz JZANIFNEZGCHAC-GOEBONIOSA-N 2 1 349.906 3.297 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CC[N@H+](CCC(C)C)C[C@H]2C)ccc2c[nH+]cn21 ZINC000942206464 1331878815 /nfs/dbraw/zinc/87/88/15/1331878815.db2.gz ZTIUFQUQYPHRIZ-DNVCBOLYSA-N 2 1 342.487 3.129 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942581126 1331986964 /nfs/dbraw/zinc/98/69/64/1331986964.db2.gz AKMZHAOIMFBLIN-YJBOKZPZSA-N 2 1 349.519 3.218 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1occc1C[NH+](C)C ZINC000942581352 1331987441 /nfs/dbraw/zinc/98/74/41/1331987441.db2.gz FNLKKLLRGLVSAC-WBVHZDCISA-N 2 1 349.519 3.218 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C[C@H]1C ZINC000943287368 1332138930 /nfs/dbraw/zinc/13/89/30/1332138930.db2.gz IWARJWGYDCHKTK-AEFFLSMTSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C[C@H]1C ZINC000943287368 1332138933 /nfs/dbraw/zinc/13/89/33/1332138933.db2.gz IWARJWGYDCHKTK-AEFFLSMTSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C[C@H]2C)CC1 ZINC000943875012 1332286381 /nfs/dbraw/zinc/28/63/81/1332286381.db2.gz AJIYNJOPNKYNMA-YLJYHZDGSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946644793 1332869434 /nfs/dbraw/zinc/86/94/34/1332869434.db2.gz JOIQMGBTSQEFSR-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946644793 1332869437 /nfs/dbraw/zinc/86/94/37/1332869437.db2.gz JOIQMGBTSQEFSR-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC[C@@H]2C1 ZINC000946644793 1332869439 /nfs/dbraw/zinc/86/94/39/1332869439.db2.gz JOIQMGBTSQEFSR-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCC3CCCC3)C[C@H]2CC1)[NH+](C)C ZINC000946784281 1332898774 /nfs/dbraw/zinc/89/87/74/1332898774.db2.gz FRKKMAMIBJRAOD-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902439 1332928479 /nfs/dbraw/zinc/92/84/79/1332928479.db2.gz PRWWZOJJRPXXRW-FGYAAKKASA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902439 1332928484 /nfs/dbraw/zinc/92/84/84/1332928484.db2.gz PRWWZOJJRPXXRW-FGYAAKKASA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902439 1332928487 /nfs/dbraw/zinc/92/84/87/1332928487.db2.gz PRWWZOJJRPXXRW-FGYAAKKASA-N 2 1 349.563 3.076 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)[C@@H](C)C1 ZINC000947546361 1333167098 /nfs/dbraw/zinc/16/70/98/1333167098.db2.gz GLLQYLQNSYMTNF-QFBILLFUSA-N 2 1 344.503 3.051 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)[C@@H](C)C1 ZINC000947546361 1333167099 /nfs/dbraw/zinc/16/70/99/1333167099.db2.gz GLLQYLQNSYMTNF-QFBILLFUSA-N 2 1 344.503 3.051 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1CCCC1 ZINC000947616005 1333193782 /nfs/dbraw/zinc/19/37/82/1333193782.db2.gz NRRCIFJVCCDPKI-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@@H](C)C1 ZINC000947771507 1333256494 /nfs/dbraw/zinc/25/64/94/1333256494.db2.gz MOVMBMQBVJLOMJ-WMZOPIPTSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H](C)C1 ZINC000947771507 1333256496 /nfs/dbraw/zinc/25/64/96/1333256496.db2.gz MOVMBMQBVJLOMJ-WMZOPIPTSA-N 2 1 346.519 3.166 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC1CC(C)(C)C1 ZINC000947775517 1333258070 /nfs/dbraw/zinc/25/80/70/1333258070.db2.gz OJMKAXWKDXSVTH-LPHOPBHVSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1CC1CCC1 ZINC000947799774 1333265280 /nfs/dbraw/zinc/26/52/80/1333265280.db2.gz CSDYKAALFKDYER-JXFKEZNVSA-N 2 1 343.515 3.131 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC3=CCCCC3)[C@@H](C)C2)CC1 ZINC000947851813 1333279335 /nfs/dbraw/zinc/27/93/35/1333279335.db2.gz AVQUTPLTLUUOBK-ICSRJNTNSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC000948039397 1333350159 /nfs/dbraw/zinc/35/01/59/1333350159.db2.gz GPCKCLYFUFOREC-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC000948245211 1333439285 /nfs/dbraw/zinc/43/92/85/1333439285.db2.gz NFEPGKHGFKWMMF-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC000948245211 1333439288 /nfs/dbraw/zinc/43/92/88/1333439288.db2.gz NFEPGKHGFKWMMF-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC000948245211 1333439290 /nfs/dbraw/zinc/43/92/90/1333439290.db2.gz NFEPGKHGFKWMMF-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948368498 1333497422 /nfs/dbraw/zinc/49/74/22/1333497422.db2.gz NEBIFUIKJOXVRP-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948368498 1333497424 /nfs/dbraw/zinc/49/74/24/1333497424.db2.gz NEBIFUIKJOXVRP-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948368498 1333497425 /nfs/dbraw/zinc/49/74/25/1333497425.db2.gz NEBIFUIKJOXVRP-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000948377120 1333501887 /nfs/dbraw/zinc/50/18/87/1333501887.db2.gz HCFMDOKPNUYUCT-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000948377120 1333501889 /nfs/dbraw/zinc/50/18/89/1333501889.db2.gz HCFMDOKPNUYUCT-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000948377120 1333501892 /nfs/dbraw/zinc/50/18/92/1333501892.db2.gz HCFMDOKPNUYUCT-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC3=CCCCC3)CC2)CC[N@H+]1C ZINC000948385673 1333504324 /nfs/dbraw/zinc/50/43/24/1333504324.db2.gz NYCNVRGQKOUTNZ-YZGWKJHDSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CC3=CCCCC3)CC2)CC[NH+]1C ZINC000948385673 1333504326 /nfs/dbraw/zinc/50/43/26/1333504326.db2.gz NYCNVRGQKOUTNZ-YZGWKJHDSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CC3=CCCCC3)CC2)CC[NH+]1C ZINC000948385673 1333504327 /nfs/dbraw/zinc/50/43/27/1333504327.db2.gz NYCNVRGQKOUTNZ-YZGWKJHDSA-N 2 1 347.547 3.140 20 0 EGADMP CN(C(=O)c1sccc1C[NH+](C)C)[C@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000948416820 1333517773 /nfs/dbraw/zinc/51/77/73/1333517773.db2.gz QEPQSLHLKLGLKQ-KRWDZBQOSA-N 2 1 349.544 3.146 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC000948637687 1333606743 /nfs/dbraw/zinc/60/67/43/1333606743.db2.gz MTOABXTWDZBFEL-PMACEKPBSA-N 2 1 343.515 3.156 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC000948637687 1333606746 /nfs/dbraw/zinc/60/67/46/1333606746.db2.gz MTOABXTWDZBFEL-PMACEKPBSA-N 2 1 343.515 3.156 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948772145 1333672706 /nfs/dbraw/zinc/67/27/06/1333672706.db2.gz UEMGLGCSEPOFID-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000948772145 1333672707 /nfs/dbraw/zinc/67/27/07/1333672707.db2.gz UEMGLGCSEPOFID-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000948772145 1333672708 /nfs/dbraw/zinc/67/27/08/1333672708.db2.gz UEMGLGCSEPOFID-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000948935241 1333740027 /nfs/dbraw/zinc/74/00/27/1333740027.db2.gz CNSCCGLYIUFCHU-FQEVSTJZSA-N 2 1 348.450 3.074 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000949307238 1333820193 /nfs/dbraw/zinc/82/01/93/1333820193.db2.gz ALNBDVUHGSNCMF-HXUWFJFHSA-N 2 1 348.450 3.243 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1C[NH+](CC2CCC(C)CC2)C1 ZINC000950063324 1334006333 /nfs/dbraw/zinc/00/63/33/1334006333.db2.gz ICOHSWDFMOLENV-AFMYVXGZSA-N 2 1 349.563 3.218 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)C1C[NH+](CCCC2CCCC2)C1 ZINC000950466170 1334076381 /nfs/dbraw/zinc/07/63/81/1334076381.db2.gz LPFQLHARHYEXAV-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)C1C[NH+](CCCC2CCCC2)C1 ZINC000950466170 1334076383 /nfs/dbraw/zinc/07/63/83/1334076383.db2.gz LPFQLHARHYEXAV-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000950505886 1334083359 /nfs/dbraw/zinc/08/33/59/1334083359.db2.gz NWDFCYZGWAZGPI-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000950505886 1334083364 /nfs/dbraw/zinc/08/33/64/1334083364.db2.gz NWDFCYZGWAZGPI-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000951195441 1334203759 /nfs/dbraw/zinc/20/37/59/1334203759.db2.gz HHZQVRWYEVSILJ-AZUAARDMSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000951195441 1334203762 /nfs/dbraw/zinc/20/37/62/1334203762.db2.gz HHZQVRWYEVSILJ-AZUAARDMSA-N 2 1 343.515 3.155 20 0 EGADMP O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000951628157 1334281079 /nfs/dbraw/zinc/28/10/79/1334281079.db2.gz JLLKDXYMMLDHHN-VQTJNVASSA-N 2 1 347.547 3.118 20 0 EGADMP O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000951628157 1334281083 /nfs/dbraw/zinc/28/10/83/1334281083.db2.gz JLLKDXYMMLDHHN-VQTJNVASSA-N 2 1 347.547 3.118 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1C[NH+](CC2CCCCC2)C1 ZINC000952444586 1334461115 /nfs/dbraw/zinc/46/11/15/1334461115.db2.gz WUQDGGXHSYVPHU-ICSRJNTNSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967085480 1335658895 /nfs/dbraw/zinc/65/88/95/1335658895.db2.gz KOZVAAIWMKGRPY-KXBFYZLASA-N 2 1 340.471 3.049 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC2=CCCCC2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968190708 1335868506 /nfs/dbraw/zinc/86/85/06/1335868506.db2.gz LOXPWIXIBWNSOF-XLIONFOSSA-N 2 1 347.547 3.045 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(C)C)CC[C@H]2C)o1 ZINC000968688698 1336012482 /nfs/dbraw/zinc/01/24/82/1336012482.db2.gz NHYHZFCKIABTIZ-SJLPKXTDSA-N 2 1 349.519 3.218 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000968851785 1336067341 /nfs/dbraw/zinc/06/73/41/1336067341.db2.gz ZJJXTHNNIAIABL-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968850390 1336067830 /nfs/dbraw/zinc/06/78/30/1336067830.db2.gz XTPCNXOMJDJUDY-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000968850390 1336067833 /nfs/dbraw/zinc/06/78/33/1336067833.db2.gz XTPCNXOMJDJUDY-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000968850390 1336067836 /nfs/dbraw/zinc/06/78/36/1336067836.db2.gz XTPCNXOMJDJUDY-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1 ZINC000968850012 1336067977 /nfs/dbraw/zinc/06/79/77/1336067977.db2.gz MNCISZSVSNYXMC-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CC1 ZINC000968850012 1336067979 /nfs/dbraw/zinc/06/79/79/1336067979.db2.gz MNCISZSVSNYXMC-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCC1CC1 ZINC000968850012 1336067980 /nfs/dbraw/zinc/06/79/80/1336067980.db2.gz MNCISZSVSNYXMC-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CCC2CC2)C1 ZINC000968888273 1336080442 /nfs/dbraw/zinc/08/04/42/1336080442.db2.gz SBENWQCHUUHAKA-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CCC2CC2)C1 ZINC000968888273 1336080444 /nfs/dbraw/zinc/08/04/44/1336080444.db2.gz SBENWQCHUUHAKA-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[N@H+]2CCC2CC2)C1 ZINC000968888273 1336080447 /nfs/dbraw/zinc/08/04/47/1336080447.db2.gz SBENWQCHUUHAKA-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000968928919 1336093820 /nfs/dbraw/zinc/09/38/20/1336093820.db2.gz XHYMKNWNNGNBBC-UXHICEINSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928919 1336093823 /nfs/dbraw/zinc/09/38/23/1336093823.db2.gz XHYMKNWNNGNBBC-UXHICEINSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928919 1336093826 /nfs/dbraw/zinc/09/38/26/1336093826.db2.gz XHYMKNWNNGNBBC-UXHICEINSA-N 2 1 349.563 3.434 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000969099354 1336142931 /nfs/dbraw/zinc/14/29/31/1336142931.db2.gz NVDDQWCSSVNHHY-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000969152112 1336163925 /nfs/dbraw/zinc/16/39/25/1336163925.db2.gz BESQYAAFPKNTKT-GOSISDBHSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc3ccc(Br)cc3[nH]2)C[C@@H]1C[NH3+] ZINC001205304713 1370714639 /nfs/dbraw/zinc/71/46/39/1370714639.db2.gz PGIKLWQJVUOKFA-YPMHNXCESA-N 2 1 336.277 3.347 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000970528904 1336317990 /nfs/dbraw/zinc/31/79/90/1336317990.db2.gz JXQGIKYXJQKIMR-VQIMIIECSA-N 2 1 349.563 3.122 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001005478682 1336358240 /nfs/dbraw/zinc/35/82/40/1336358240.db2.gz WRZBUDZGKWEWKX-FQEVSTJZSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005477477 1336358422 /nfs/dbraw/zinc/35/84/22/1336358422.db2.gz ROVXLCRDLJWLNP-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005502954 1336363143 /nfs/dbraw/zinc/36/31/43/1336363143.db2.gz GNAOYYXIPWXTRL-FQEVSTJZSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005503975 1336363615 /nfs/dbraw/zinc/36/36/15/1336363615.db2.gz OYYTUDVDBRFESW-IBGZPJMESA-N 2 1 335.536 3.138 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001005590269 1336376275 /nfs/dbraw/zinc/37/62/75/1336376275.db2.gz XADWDIWXXUPBRW-XLIONFOSSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c(Br)ccnc2Cl)CC[C@H]1C[NH3+] ZINC001205639253 1370822495 /nfs/dbraw/zinc/82/24/95/1370822495.db2.gz YBHAPGITXNZPLO-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001006001429 1336436215 /nfs/dbraw/zinc/43/62/15/1336436215.db2.gz NPMAHUYCVJZIQJ-YLJYHZDGSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001006072022 1336446714 /nfs/dbraw/zinc/44/67/14/1336446714.db2.gz IUNFASAFASSWPU-UHFFFAOYSA-N 2 1 348.535 3.366 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH+](Cc2ccsc2)C1 ZINC001007500305 1336658453 /nfs/dbraw/zinc/65/84/53/1336658453.db2.gz RXZCXBVWPQWUQS-MSOLQXFVSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001007500305 1336658455 /nfs/dbraw/zinc/65/84/55/1336658455.db2.gz RXZCXBVWPQWUQS-MSOLQXFVSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC001007500305 1336658457 /nfs/dbraw/zinc/65/84/57/1336658457.db2.gz RXZCXBVWPQWUQS-MSOLQXFVSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001007500343 1336658645 /nfs/dbraw/zinc/65/86/45/1336658645.db2.gz SHMLDWBUYKVZMQ-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001007500343 1336658647 /nfs/dbraw/zinc/65/86/47/1336658647.db2.gz SHMLDWBUYKVZMQ-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001007500343 1336658651 /nfs/dbraw/zinc/65/86/51/1336658651.db2.gz SHMLDWBUYKVZMQ-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001007651123 1336683649 /nfs/dbraw/zinc/68/36/49/1336683649.db2.gz ZQFFQIAPLBTHAW-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001007651123 1336683652 /nfs/dbraw/zinc/68/36/52/1336683652.db2.gz ZQFFQIAPLBTHAW-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001007651123 1336683655 /nfs/dbraw/zinc/68/36/55/1336683655.db2.gz ZQFFQIAPLBTHAW-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001007651123 1336683657 /nfs/dbraw/zinc/68/36/57/1336683657.db2.gz ZQFFQIAPLBTHAW-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)cc1 ZINC001007801974 1336703252 /nfs/dbraw/zinc/70/32/52/1336703252.db2.gz VMRPUSGTIQIVLZ-IBGZPJMESA-N 2 1 348.450 3.037 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001008164149 1336782926 /nfs/dbraw/zinc/78/29/26/1336782926.db2.gz RPSZRZJUJDDNNU-HKUYNNGSSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCC(C)(C)C)C2)C1 ZINC001008267638 1336810528 /nfs/dbraw/zinc/81/05/28/1336810528.db2.gz BUKKPZFOLWKCMI-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCC(C)(C)C)C2)C1 ZINC001008267638 1336810529 /nfs/dbraw/zinc/81/05/29/1336810529.db2.gz BUKKPZFOLWKCMI-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001008267638 1336810530 /nfs/dbraw/zinc/81/05/30/1336810530.db2.gz BUKKPZFOLWKCMI-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008274815 1336811731 /nfs/dbraw/zinc/81/17/31/1336811731.db2.gz GMMFSUBYBJIMJW-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008274815 1336811734 /nfs/dbraw/zinc/81/17/34/1336811734.db2.gz GMMFSUBYBJIMJW-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008274815 1336811736 /nfs/dbraw/zinc/81/17/36/1336811736.db2.gz GMMFSUBYBJIMJW-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001008541566 1336877903 /nfs/dbraw/zinc/87/79/03/1336877903.db2.gz RLXKEVBCMKRHKB-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001008541566 1336877905 /nfs/dbraw/zinc/87/79/05/1336877905.db2.gz RLXKEVBCMKRHKB-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001008541566 1336877907 /nfs/dbraw/zinc/87/79/07/1336877907.db2.gz RLXKEVBCMKRHKB-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CC3CCCCCC3)C2)C1 ZINC001008551250 1336879917 /nfs/dbraw/zinc/87/99/17/1336879917.db2.gz NQLPUHFGQULURG-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CC3CCCCCC3)C2)C1 ZINC001008551250 1336879921 /nfs/dbraw/zinc/87/99/21/1336879921.db2.gz NQLPUHFGQULURG-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001008551250 1336879923 /nfs/dbraw/zinc/87/99/23/1336879923.db2.gz NQLPUHFGQULURG-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001008744320 1336918706 /nfs/dbraw/zinc/91/87/06/1336918706.db2.gz AVAUVLWFGNZVLF-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@@H+](CCC3=CCCCC3)C2)CC1 ZINC001008759568 1336920971 /nfs/dbraw/zinc/92/09/71/1336920971.db2.gz FJNZCFRTAQPUSJ-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001009639629 1337050880 /nfs/dbraw/zinc/05/08/80/1337050880.db2.gz YSPWGKBEXWIJAU-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001009639629 1337050882 /nfs/dbraw/zinc/05/08/82/1337050882.db2.gz YSPWGKBEXWIJAU-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001009639629 1337050884 /nfs/dbraw/zinc/05/08/84/1337050884.db2.gz YSPWGKBEXWIJAU-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001009635819 1337051015 /nfs/dbraw/zinc/05/10/15/1337051015.db2.gz MMZJQQVHNQVQRF-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001009635819 1337051019 /nfs/dbraw/zinc/05/10/19/1337051019.db2.gz MMZJQQVHNQVQRF-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001009635819 1337051025 /nfs/dbraw/zinc/05/10/25/1337051025.db2.gz MMZJQQVHNQVQRF-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1c[nH]c2cccc(Br)c12 ZINC001206769306 1371158618 /nfs/dbraw/zinc/15/86/18/1371158618.db2.gz OJQHHEHSIARIDK-NEPJUHHUSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]c2cccc(Br)c12 ZINC001206769306 1371158619 /nfs/dbraw/zinc/15/86/19/1371158619.db2.gz OJQHHEHSIARIDK-NEPJUHHUSA-N 2 1 336.277 3.490 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014415385 1337771640 /nfs/dbraw/zinc/77/16/40/1337771640.db2.gz UGJNKTPWNBFXSG-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001014415385 1337771643 /nfs/dbraw/zinc/77/16/43/1337771643.db2.gz UGJNKTPWNBFXSG-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001014415385 1337771646 /nfs/dbraw/zinc/77/16/46/1337771646.db2.gz UGJNKTPWNBFXSG-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014636606 1337855406 /nfs/dbraw/zinc/85/54/06/1337855406.db2.gz ZCIBJYAXYCNBLC-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001014636606 1337855410 /nfs/dbraw/zinc/85/54/10/1337855410.db2.gz ZCIBJYAXYCNBLC-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001014636606 1337855416 /nfs/dbraw/zinc/85/54/16/1337855416.db2.gz ZCIBJYAXYCNBLC-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC1(C)CCC(C[N@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001015089183 1338013650 /nfs/dbraw/zinc/01/36/50/1338013650.db2.gz HVAZKROUDXXNGN-GOSISDBHSA-N 2 1 347.547 3.022 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001015291384 1338086718 /nfs/dbraw/zinc/08/67/18/1338086718.db2.gz QZXBFCHMVRHTLW-APWZRJJASA-N 2 1 348.450 3.208 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015501242 1338160261 /nfs/dbraw/zinc/16/02/61/1338160261.db2.gz YIGFZGSQJXQYLI-MSOLQXFVSA-N 2 1 343.515 3.121 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC23CC[NH+](CC=C(C)C)CC3)C1 ZINC001016789261 1338728118 /nfs/dbraw/zinc/72/81/18/1338728118.db2.gz IJGYYLUHLCRFPR-OALUTQOASA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001016860876 1338750534 /nfs/dbraw/zinc/75/05/34/1338750534.db2.gz SRSSCSQRHIWFKM-IAGOWNOFSA-N 2 1 346.519 3.023 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCCC2)C1)C1CCC1 ZINC001017143035 1338895152 /nfs/dbraw/zinc/89/51/52/1338895152.db2.gz RBAOQCSKDMBBNP-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001017143035 1338895155 /nfs/dbraw/zinc/89/51/55/1338895155.db2.gz RBAOQCSKDMBBNP-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001017143035 1338895161 /nfs/dbraw/zinc/89/51/61/1338895161.db2.gz RBAOQCSKDMBBNP-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001017192697 1338938933 /nfs/dbraw/zinc/93/89/33/1338938933.db2.gz CFAIZFKRZYNNRF-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001017194199 1338939327 /nfs/dbraw/zinc/93/93/27/1338939327.db2.gz QYCQMAHDHVNYIJ-QUCCMNQESA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001017194199 1338939328 /nfs/dbraw/zinc/93/93/28/1338939328.db2.gz QYCQMAHDHVNYIJ-QUCCMNQESA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001017194199 1338939330 /nfs/dbraw/zinc/93/93/30/1338939330.db2.gz QYCQMAHDHVNYIJ-QUCCMNQESA-N 2 1 349.563 3.362 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1)CC1CCCCCC1 ZINC001017266265 1338991868 /nfs/dbraw/zinc/99/18/68/1338991868.db2.gz LWIKSYLULBOHKP-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)CC1CCCCCC1 ZINC001017266265 1338991872 /nfs/dbraw/zinc/99/18/72/1338991872.db2.gz LWIKSYLULBOHKP-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)CC1CCCCCC1 ZINC001017266265 1338991873 /nfs/dbraw/zinc/99/18/73/1338991873.db2.gz LWIKSYLULBOHKP-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001017267543 1338993776 /nfs/dbraw/zinc/99/37/76/1338993776.db2.gz QJHHMTJWYZAOID-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001017267543 1338993778 /nfs/dbraw/zinc/99/37/78/1338993778.db2.gz QJHHMTJWYZAOID-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001017267543 1338993779 /nfs/dbraw/zinc/99/37/79/1338993779.db2.gz QJHHMTJWYZAOID-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001017658613 1339385921 /nfs/dbraw/zinc/38/59/21/1339385921.db2.gz IFURMKBHCUYYCY-YSTOQKLRSA-N 2 1 347.547 3.115 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001017658613 1339385924 /nfs/dbraw/zinc/38/59/24/1339385924.db2.gz IFURMKBHCUYYCY-YSTOQKLRSA-N 2 1 347.547 3.115 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001017658613 1339385925 /nfs/dbraw/zinc/38/59/25/1339385925.db2.gz IFURMKBHCUYYCY-YSTOQKLRSA-N 2 1 347.547 3.115 20 0 EGADMP CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001017839960 1339429177 /nfs/dbraw/zinc/42/91/77/1339429177.db2.gz VRYNRMORSNEECX-ZCNNSNEGSA-N 2 1 347.547 3.259 20 0 EGADMP CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001017839960 1339429179 /nfs/dbraw/zinc/42/91/79/1339429179.db2.gz VRYNRMORSNEECX-ZCNNSNEGSA-N 2 1 347.547 3.259 20 0 EGADMP CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001017839960 1339429180 /nfs/dbraw/zinc/42/91/80/1339429180.db2.gz VRYNRMORSNEECX-ZCNNSNEGSA-N 2 1 347.547 3.259 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CC1 ZINC001028252653 1340512317 /nfs/dbraw/zinc/51/23/17/1340512317.db2.gz ZZJXUULGZNKFOE-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CC1 ZINC001028252653 1340512319 /nfs/dbraw/zinc/51/23/19/1340512319.db2.gz ZZJXUULGZNKFOE-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CC1 ZINC001028252653 1340512323 /nfs/dbraw/zinc/51/23/23/1340512323.db2.gz ZZJXUULGZNKFOE-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001029004399 1340905283 /nfs/dbraw/zinc/90/52/83/1340905283.db2.gz WEKOCVJBLZYLDM-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001029004399 1340905285 /nfs/dbraw/zinc/90/52/85/1340905285.db2.gz WEKOCVJBLZYLDM-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001029004399 1340905287 /nfs/dbraw/zinc/90/52/87/1340905287.db2.gz WEKOCVJBLZYLDM-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]([NH2+]CC1CC1)C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001029113124 1340932987 /nfs/dbraw/zinc/93/29/87/1340932987.db2.gz GXUARNRWNZFHAJ-INIZCTEOSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CC2)CC1 ZINC001029163878 1340946258 /nfs/dbraw/zinc/94/62/58/1340946258.db2.gz COGDAAYAUAKDNQ-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1)[NH+]1CCCCCC1 ZINC001029503116 1341002480 /nfs/dbraw/zinc/00/24/80/1341002480.db2.gz JZGJBYYCXXRLPL-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001029595599 1341018673 /nfs/dbraw/zinc/01/86/73/1341018673.db2.gz NFQUVUHHOJFSKU-TZRIAGMCSA-N 2 1 347.547 3.115 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001029595599 1341018675 /nfs/dbraw/zinc/01/86/75/1341018675.db2.gz NFQUVUHHOJFSKU-TZRIAGMCSA-N 2 1 347.547 3.115 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001029595599 1341018677 /nfs/dbraw/zinc/01/86/77/1341018677.db2.gz NFQUVUHHOJFSKU-TZRIAGMCSA-N 2 1 347.547 3.115 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC001029755117 1341064311 /nfs/dbraw/zinc/06/43/11/1341064311.db2.gz HZUPBYCOLAYRTD-UYAOXDASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001029861541 1341098773 /nfs/dbraw/zinc/09/87/73/1341098773.db2.gz PPSBFUYPVCOQMW-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029861541 1341098774 /nfs/dbraw/zinc/09/87/74/1341098774.db2.gz PPSBFUYPVCOQMW-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029861541 1341098775 /nfs/dbraw/zinc/09/87/75/1341098775.db2.gz PPSBFUYPVCOQMW-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1)CC1CCCCCC1 ZINC001029887526 1341105446 /nfs/dbraw/zinc/10/54/46/1341105446.db2.gz MZZUCGOJPSMBLN-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)CC1CCCCCC1 ZINC001029887526 1341105447 /nfs/dbraw/zinc/10/54/47/1341105447.db2.gz MZZUCGOJPSMBLN-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1)CC1CCCCCC1 ZINC001029887526 1341105448 /nfs/dbraw/zinc/10/54/48/1341105448.db2.gz MZZUCGOJPSMBLN-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[NH+]2CC(NC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001030313192 1341177898 /nfs/dbraw/zinc/17/78/98/1341177898.db2.gz RNOPBWYTKNUBFW-MSOLQXFVSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(NC1C[NH+](CC2CCCCC2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001030314367 1341178202 /nfs/dbraw/zinc/17/82/02/1341178202.db2.gz CAAPJKLOOVSNNW-SFHVURJKSA-N 2 1 347.547 3.022 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001030441535 1341187704 /nfs/dbraw/zinc/18/77/04/1341187704.db2.gz BAWXHKODGLTJJL-IEBWSBKVSA-N 2 1 343.515 3.119 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030441535 1341187705 /nfs/dbraw/zinc/18/77/05/1341187705.db2.gz BAWXHKODGLTJJL-IEBWSBKVSA-N 2 1 343.515 3.119 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCC2CCCC2)C1 ZINC001031237055 1341301786 /nfs/dbraw/zinc/30/17/86/1341301786.db2.gz QVGFWAOEIQLJHY-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCC2CCCC2)C1 ZINC001031237055 1341301787 /nfs/dbraw/zinc/30/17/87/1341301787.db2.gz QVGFWAOEIQLJHY-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)(C)CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031918902 1341421961 /nfs/dbraw/zinc/42/19/61/1341421961.db2.gz VAHZRLDGVMLFSI-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033077349 1341717728 /nfs/dbraw/zinc/71/77/28/1341717728.db2.gz QNZRUHCKKQKDQG-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001033358972 1341796043 /nfs/dbraw/zinc/79/60/43/1341796043.db2.gz SHMBKGIMVUWZRS-YSIASYRMSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001033358972 1341796044 /nfs/dbraw/zinc/79/60/44/1341796044.db2.gz SHMBKGIMVUWZRS-YSIASYRMSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001033358972 1341796046 /nfs/dbraw/zinc/79/60/46/1341796046.db2.gz SHMBKGIMVUWZRS-YSIASYRMSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001033422636 1341821710 /nfs/dbraw/zinc/82/17/10/1341821710.db2.gz HXHPZJSZPIBGMC-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001033422636 1341821712 /nfs/dbraw/zinc/82/17/12/1341821712.db2.gz HXHPZJSZPIBGMC-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001033422636 1341821714 /nfs/dbraw/zinc/82/17/14/1341821714.db2.gz HXHPZJSZPIBGMC-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001033581712 1341882582 /nfs/dbraw/zinc/88/25/82/1341882582.db2.gz LSGXWEGUQVQKAU-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033581712 1341882585 /nfs/dbraw/zinc/88/25/85/1341882585.db2.gz LSGXWEGUQVQKAU-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033581712 1341882590 /nfs/dbraw/zinc/88/25/90/1341882590.db2.gz LSGXWEGUQVQKAU-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033829281 1342030085 /nfs/dbraw/zinc/03/00/85/1342030085.db2.gz VYFGNJKLXICJCG-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033829281 1342030087 /nfs/dbraw/zinc/03/00/87/1342030087.db2.gz VYFGNJKLXICJCG-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033829281 1342030090 /nfs/dbraw/zinc/03/00/90/1342030090.db2.gz VYFGNJKLXICJCG-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033855893 1342046047 /nfs/dbraw/zinc/04/60/47/1342046047.db2.gz OBWOROQCPSWADQ-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033855893 1342046050 /nfs/dbraw/zinc/04/60/50/1342046050.db2.gz OBWOROQCPSWADQ-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033936007 1342098689 /nfs/dbraw/zinc/09/86/89/1342098689.db2.gz LPEJSJMZKVOCKG-YTQUADARSA-N 2 1 349.563 3.076 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033936007 1342098692 /nfs/dbraw/zinc/09/86/92/1342098692.db2.gz LPEJSJMZKVOCKG-YTQUADARSA-N 2 1 349.563 3.076 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033936007 1342098696 /nfs/dbraw/zinc/09/86/96/1342098696.db2.gz LPEJSJMZKVOCKG-YTQUADARSA-N 2 1 349.563 3.076 20 0 EGADMP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001034007505 1342144414 /nfs/dbraw/zinc/14/44/14/1342144414.db2.gz MBXYNJMVKKVQGS-IBGZPJMESA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@H]1CC[N@H+](C(C)C)C1 ZINC001034049596 1342189411 /nfs/dbraw/zinc/18/94/11/1342189411.db2.gz BOHPIVOCOJRZIL-INIZCTEOSA-N 2 1 335.492 3.066 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001034051584 1342193561 /nfs/dbraw/zinc/19/35/61/1342193561.db2.gz YTDZHQYAXHAQAE-QGZVFWFLSA-N 2 1 349.519 3.314 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001034129849 1342259395 /nfs/dbraw/zinc/25/93/95/1342259395.db2.gz DLPRVUTWEHUBGI-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001034129849 1342259404 /nfs/dbraw/zinc/25/94/04/1342259404.db2.gz DLPRVUTWEHUBGI-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001034129849 1342259408 /nfs/dbraw/zinc/25/94/08/1342259408.db2.gz DLPRVUTWEHUBGI-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034250133 1342347117 /nfs/dbraw/zinc/34/71/17/1342347117.db2.gz PKARYMRIKIAAFA-SJORKVTESA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034250133 1342347119 /nfs/dbraw/zinc/34/71/19/1342347119.db2.gz PKARYMRIKIAAFA-SJORKVTESA-N 2 1 346.519 3.167 20 0 EGADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cs1 ZINC001034272886 1342363489 /nfs/dbraw/zinc/36/34/89/1342363489.db2.gz XXUFXCJBWHTANU-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cs1 ZINC001034272886 1342363492 /nfs/dbraw/zinc/36/34/92/1342363492.db2.gz XXUFXCJBWHTANU-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cs1 ZINC001034272886 1342363496 /nfs/dbraw/zinc/36/34/96/1342363496.db2.gz XXUFXCJBWHTANU-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034396068 1342465502 /nfs/dbraw/zinc/46/55/02/1342465502.db2.gz CSZBSEUIFDUVEB-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](CC2CCCCC2)C1 ZINC001034396068 1342465507 /nfs/dbraw/zinc/46/55/07/1342465507.db2.gz CSZBSEUIFDUVEB-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](CC2CCCCC2)C1 ZINC001034396068 1342465509 /nfs/dbraw/zinc/46/55/09/1342465509.db2.gz CSZBSEUIFDUVEB-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCCC[N@@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001034437667 1342499914 /nfs/dbraw/zinc/49/99/14/1342499914.db2.gz IBACOWOHCGJHCI-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001034462534 1342518286 /nfs/dbraw/zinc/51/82/86/1342518286.db2.gz OSQNGOWLWICTEK-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001034462537 1342518353 /nfs/dbraw/zinc/51/83/53/1342518353.db2.gz OSQNGOWLWICTEK-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034538049 1342595079 /nfs/dbraw/zinc/59/50/79/1342595079.db2.gz HMCSFKKKGPYOQW-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034538049 1342595082 /nfs/dbraw/zinc/59/50/82/1342595082.db2.gz HMCSFKKKGPYOQW-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034538049 1342595086 /nfs/dbraw/zinc/59/50/86/1342595086.db2.gz HMCSFKKKGPYOQW-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034542857 1342602551 /nfs/dbraw/zinc/60/25/51/1342602551.db2.gz BPMFSQSMTXQWSY-AEFFLSMTSA-N 2 1 349.494 3.081 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001034613037 1342648919 /nfs/dbraw/zinc/64/89/19/1342648919.db2.gz XDKLPDJONSMQTD-GUDVDZBRSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1 ZINC001034662187 1342676916 /nfs/dbraw/zinc/67/69/16/1342676916.db2.gz FUIPKRAGIXWOBT-GUDVDZBRSA-N 2 1 335.536 3.066 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCC3)CC2)C1 ZINC001034662514 1342677053 /nfs/dbraw/zinc/67/70/53/1342677053.db2.gz NBAHKSNMZBMLCV-UFYCRDLUSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001034737942 1342729437 /nfs/dbraw/zinc/72/94/37/1342729437.db2.gz PCSYVQMHGKXEGK-WDSOQIARSA-N 2 1 347.547 3.068 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034792099 1342761139 /nfs/dbraw/zinc/76/11/39/1342761139.db2.gz FALNBQNOYOZYOZ-FCGDIQPGSA-N 2 1 343.515 3.025 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC2CCC2)cc1 ZINC001034816528 1342779955 /nfs/dbraw/zinc/77/99/55/1342779955.db2.gz QTKQCXHVHALNHX-HXUWFJFHSA-N 2 1 343.515 3.065 20 0 EGADMP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001034830674 1342791428 /nfs/dbraw/zinc/79/14/28/1342791428.db2.gz ZEVPSANRBGVDTE-LJQANCHMSA-N 2 1 331.504 3.064 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)c1 ZINC001034958094 1342852261 /nfs/dbraw/zinc/85/22/61/1342852261.db2.gz ZVWOOSKTIFJXMK-FXAWDEMLSA-N 2 1 343.515 3.121 20 0 EGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001034958657 1342853864 /nfs/dbraw/zinc/85/38/64/1342853864.db2.gz LZRHODAFDCDKGM-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001034972729 1342859036 /nfs/dbraw/zinc/85/90/36/1342859036.db2.gz IFFWBJCPFVVDSK-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001035068777 1342910335 /nfs/dbraw/zinc/91/03/35/1342910335.db2.gz QHKYDPDJCXCMTK-GOSISDBHSA-N 2 1 344.503 3.088 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC3(CC[N@@H+](CCC(C)(C)C)C3)CC2)CCC1 ZINC001035194308 1343008498 /nfs/dbraw/zinc/00/84/98/1343008498.db2.gz ZRGHAZCBOZRDSI-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035209926 1343028490 /nfs/dbraw/zinc/02/84/90/1343028490.db2.gz DSWPUDMSXOAHJF-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001036448259 1343493398 /nfs/dbraw/zinc/49/33/98/1343493398.db2.gz BCBXOCCOCUNWIV-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036730970 1343661271 /nfs/dbraw/zinc/66/12/71/1343661271.db2.gz MCZCVLUBIUFALP-WBVHZDCISA-N 2 1 349.544 3.146 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036833109 1343772656 /nfs/dbraw/zinc/77/26/56/1343772656.db2.gz OJIPRGONSFFMHB-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1[NH2+]CC1CCC1 ZINC001037923279 1344183320 /nfs/dbraw/zinc/18/33/20/1344183320.db2.gz AVAIOJHKFQHNAQ-ZWKOTPCHSA-N 2 1 346.519 3.023 20 0 EGADMP CC[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1[NH2+]CCC1CC1 ZINC001037925174 1344184954 /nfs/dbraw/zinc/18/49/54/1344184954.db2.gz IOAUJVHTPTUORF-ZWKOTPCHSA-N 2 1 346.519 3.023 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+]2CC2CCC(C)(C)CC2)CC[N@H+]1C ZINC001038268249 1344348728 /nfs/dbraw/zinc/34/87/28/1344348728.db2.gz DHWSMZHMWCQYKA-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CC2CCC(C)(C)CC2)CC[NH+]1C ZINC001038268249 1344348732 /nfs/dbraw/zinc/34/87/32/1344348732.db2.gz DHWSMZHMWCQYKA-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CC2CCC(C)(C)CC2)CC[NH+]1C ZINC001038268249 1344348738 /nfs/dbraw/zinc/34/87/38/1344348738.db2.gz DHWSMZHMWCQYKA-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001038320217 1344378339 /nfs/dbraw/zinc/37/83/39/1344378339.db2.gz HJFQTMZKGVJDQY-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001038320217 1344378340 /nfs/dbraw/zinc/37/83/40/1344378340.db2.gz HJFQTMZKGVJDQY-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCC1 ZINC001038320217 1344378343 /nfs/dbraw/zinc/37/83/43/1344378343.db2.gz HJFQTMZKGVJDQY-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCC2=CCCCC2)C1 ZINC001038340386 1344386453 /nfs/dbraw/zinc/38/64/53/1344386453.db2.gz NCLNVZOANMLFHI-PMACEKPBSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCC2=CCCCC2)C1 ZINC001038340386 1344386457 /nfs/dbraw/zinc/38/64/57/1344386457.db2.gz NCLNVZOANMLFHI-PMACEKPBSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCC2=CCCCC2)C1 ZINC001038340386 1344386461 /nfs/dbraw/zinc/38/64/61/1344386461.db2.gz NCLNVZOANMLFHI-PMACEKPBSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CC2CCCCCC2)C1 ZINC001038341243 1344387875 /nfs/dbraw/zinc/38/78/75/1344387875.db2.gz QFUSTAJDOVLRLX-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CC2CCCCCC2)C1 ZINC001038341243 1344387876 /nfs/dbraw/zinc/38/78/76/1344387876.db2.gz QFUSTAJDOVLRLX-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CC2CCCCCC2)C1 ZINC001038341243 1344387880 /nfs/dbraw/zinc/38/78/80/1344387880.db2.gz QFUSTAJDOVLRLX-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038406157 1344414671 /nfs/dbraw/zinc/41/46/71/1344414671.db2.gz ASWNNJILUAFMNI-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCCC1 ZINC001038406157 1344414672 /nfs/dbraw/zinc/41/46/72/1344414672.db2.gz ASWNNJILUAFMNI-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001038406157 1344414673 /nfs/dbraw/zinc/41/46/73/1344414673.db2.gz ASWNNJILUAFMNI-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001038444498 1344430765 /nfs/dbraw/zinc/43/07/65/1344430765.db2.gz MVSKHYYAQBVRAP-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001038444498 1344430768 /nfs/dbraw/zinc/43/07/68/1344430768.db2.gz MVSKHYYAQBVRAP-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001038444498 1344430770 /nfs/dbraw/zinc/43/07/70/1344430770.db2.gz MVSKHYYAQBVRAP-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CC2CCCCC2)cc1 ZINC001038818511 1344595273 /nfs/dbraw/zinc/59/52/73/1344595273.db2.gz NNWWADPAKLRMFG-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC2CCCCCC2)CC1 ZINC001038862883 1344617414 /nfs/dbraw/zinc/61/74/14/1344617414.db2.gz JMLYYBVIDWAGQY-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2[C@H](C)c2ccccc2)CC1 ZINC001038872470 1344621834 /nfs/dbraw/zinc/62/18/34/1344621834.db2.gz PEKHUKHJGVUVNB-YLJYHZDGSA-N 2 1 343.515 3.059 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC001038908365 1344645777 /nfs/dbraw/zinc/64/57/77/1344645777.db2.gz IXXMDDDGNRLJAB-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC001038908365 1344645781 /nfs/dbraw/zinc/64/57/81/1344645781.db2.gz IXXMDDDGNRLJAB-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001038908365 1344645784 /nfs/dbraw/zinc/64/57/84/1344645784.db2.gz IXXMDDDGNRLJAB-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001038908365 1344645786 /nfs/dbraw/zinc/64/57/86/1344645786.db2.gz IXXMDDDGNRLJAB-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC(CC)CC ZINC001038907818 1344645876 /nfs/dbraw/zinc/64/58/76/1344645876.db2.gz DQNKBOYYRZUMIH-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC(CC)CC ZINC001038907818 1344645881 /nfs/dbraw/zinc/64/58/81/1344645881.db2.gz DQNKBOYYRZUMIH-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC(CC)CC ZINC001038907818 1344645883 /nfs/dbraw/zinc/64/58/83/1344645883.db2.gz DQNKBOYYRZUMIH-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC(CC)CC ZINC001038907730 1344646173 /nfs/dbraw/zinc/64/61/73/1344646173.db2.gz DQNKBOYYRZUMIH-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC(CC)CC ZINC001038907730 1344646176 /nfs/dbraw/zinc/64/61/76/1344646176.db2.gz DQNKBOYYRZUMIH-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC(CC)CC ZINC001038907730 1344646179 /nfs/dbraw/zinc/64/61/79/1344646179.db2.gz DQNKBOYYRZUMIH-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCC1 ZINC001038910172 1344647749 /nfs/dbraw/zinc/64/77/49/1344647749.db2.gz VASGKRMRBQXQKS-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCC1 ZINC001038910172 1344647753 /nfs/dbraw/zinc/64/77/53/1344647753.db2.gz VASGKRMRBQXQKS-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCC1 ZINC001038910172 1344647757 /nfs/dbraw/zinc/64/77/57/1344647757.db2.gz VASGKRMRBQXQKS-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039215913 1344932349 /nfs/dbraw/zinc/93/23/49/1344932349.db2.gz WWNILXOCJAFJPZ-UYAOXDASSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039215913 1344932354 /nfs/dbraw/zinc/93/23/54/1344932354.db2.gz WWNILXOCJAFJPZ-UYAOXDASSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039215913 1344932358 /nfs/dbraw/zinc/93/23/58/1344932358.db2.gz WWNILXOCJAFJPZ-UYAOXDASSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001039301414 1345003824 /nfs/dbraw/zinc/00/38/24/1345003824.db2.gz IHIANIRZIFHEGU-XVLXNVKGSA-N 2 1 335.536 3.161 20 0 EGADMP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001039313858 1345009540 /nfs/dbraw/zinc/00/95/40/1345009540.db2.gz UEYMRNAHMWGNGG-NXEWRWPSSA-N 2 1 343.515 3.199 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039375727 1345033937 /nfs/dbraw/zinc/03/39/37/1345033937.db2.gz UVYSZOPBHSPGLL-OTWHNJEPSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CC(C)C)C3)C1 ZINC001040346332 1345445016 /nfs/dbraw/zinc/44/50/16/1345445016.db2.gz BQSOHOOMWVIWDA-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC(C)C)C3)C1 ZINC001040346332 1345445019 /nfs/dbraw/zinc/44/50/19/1345445019.db2.gz BQSOHOOMWVIWDA-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC(C)C)C3)C1 ZINC001040346332 1345445021 /nfs/dbraw/zinc/44/50/21/1345445021.db2.gz BQSOHOOMWVIWDA-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040349128 1345447369 /nfs/dbraw/zinc/44/73/69/1345447369.db2.gz VGUALUWYJUXYHY-PZJWPPBQSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040349128 1345447371 /nfs/dbraw/zinc/44/73/71/1345447371.db2.gz VGUALUWYJUXYHY-PZJWPPBQSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040349128 1345447373 /nfs/dbraw/zinc/44/73/73/1345447373.db2.gz VGUALUWYJUXYHY-PZJWPPBQSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC001040744958 1345573121 /nfs/dbraw/zinc/57/31/21/1345573121.db2.gz FPBNOABKBDIBTA-RTBURBONSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357155 1345708707 /nfs/dbraw/zinc/70/87/07/1345708707.db2.gz FGFCHSZYYKHUMD-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041357155 1345708708 /nfs/dbraw/zinc/70/87/08/1345708708.db2.gz FGFCHSZYYKHUMD-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041357155 1345708710 /nfs/dbraw/zinc/70/87/10/1345708710.db2.gz FGFCHSZYYKHUMD-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041536025 1345755132 /nfs/dbraw/zinc/75/51/32/1345755132.db2.gz LUQDCPLJINHPEX-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041590691 1345785372 /nfs/dbraw/zinc/78/53/72/1345785372.db2.gz SAUBNGGVLIOYBJ-TZIWHRDSSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041590691 1345785375 /nfs/dbraw/zinc/78/53/75/1345785375.db2.gz SAUBNGGVLIOYBJ-TZIWHRDSSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001041590691 1345785379 /nfs/dbraw/zinc/78/53/79/1345785379.db2.gz SAUBNGGVLIOYBJ-TZIWHRDSSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041590689 1345785782 /nfs/dbraw/zinc/78/57/82/1345785782.db2.gz SAUBNGGVLIOYBJ-FPOVZHCZSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041590689 1345785784 /nfs/dbraw/zinc/78/57/84/1345785784.db2.gz SAUBNGGVLIOYBJ-FPOVZHCZSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001041590689 1345785788 /nfs/dbraw/zinc/78/57/88/1345785788.db2.gz SAUBNGGVLIOYBJ-FPOVZHCZSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCC3CCCCC3)C2)C1)[NH+](C)C ZINC001041694662 1345821166 /nfs/dbraw/zinc/82/11/66/1345821166.db2.gz XGTDEHRLASEWPW-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041845948 1345871545 /nfs/dbraw/zinc/87/15/45/1345871545.db2.gz STQAROPCYQQKEF-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001041845948 1345871546 /nfs/dbraw/zinc/87/15/46/1345871546.db2.gz STQAROPCYQQKEF-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001041845948 1345871547 /nfs/dbraw/zinc/87/15/47/1345871547.db2.gz STQAROPCYQQKEF-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001042711726 1346108706 /nfs/dbraw/zinc/10/87/06/1346108706.db2.gz XTJBONXXDFUZOG-VQTJNVASSA-N 2 1 343.515 3.153 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001042711726 1346108708 /nfs/dbraw/zinc/10/87/08/1346108708.db2.gz XTJBONXXDFUZOG-VQTJNVASSA-N 2 1 343.515 3.153 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001044085891 1346244935 /nfs/dbraw/zinc/24/49/35/1346244935.db2.gz ANFDHPBFFFOBMR-HXUWFJFHSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045229924 1346536240 /nfs/dbraw/zinc/53/62/40/1346536240.db2.gz ZMBWQNQGDVFQPN-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CCCC2CCC2)CC1 ZINC001045438000 1346594234 /nfs/dbraw/zinc/59/42/34/1346594234.db2.gz IKGWXULJQZSYGC-LJQANCHMSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)C1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCCC2CCC2)CCC1 ZINC001045793433 1346699748 /nfs/dbraw/zinc/69/97/48/1346699748.db2.gz PZZLLHXHLNVCME-MOPGFXCFSA-N 2 1 347.547 3.116 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001045891885 1346735140 /nfs/dbraw/zinc/73/51/40/1346735140.db2.gz JDRHMOMAPNKDAM-UXHICEINSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001045943291 1346779153 /nfs/dbraw/zinc/77/91/53/1346779153.db2.gz HNCCHUASYMEBKX-TZIWHRDSSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045943291 1346779156 /nfs/dbraw/zinc/77/91/56/1346779156.db2.gz HNCCHUASYMEBKX-TZIWHRDSSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001045943291 1346779159 /nfs/dbraw/zinc/77/91/59/1346779159.db2.gz HNCCHUASYMEBKX-TZIWHRDSSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CCC2=CCCCC2)C1 ZINC001046315283 1346931166 /nfs/dbraw/zinc/93/11/66/1346931166.db2.gz JNGRPJYSCJRSRO-CTNGQTDRSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CCC2=CCCCC2)C1 ZINC001046315283 1346931170 /nfs/dbraw/zinc/93/11/70/1346931170.db2.gz JNGRPJYSCJRSRO-CTNGQTDRSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCC2=CCCCC2)C1 ZINC001046315283 1346931173 /nfs/dbraw/zinc/93/11/73/1346931173.db2.gz JNGRPJYSCJRSRO-CTNGQTDRSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001046743160 1347079567 /nfs/dbraw/zinc/07/95/67/1347079567.db2.gz WZJIYCHEBVHFIK-NRFANRHFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CCC3CC3)C2)o1 ZINC001046864979 1347137448 /nfs/dbraw/zinc/13/74/48/1347137448.db2.gz ZDZSCTPEFZYBEX-FQEVSTJZSA-N 2 1 347.503 3.116 20 0 EGADMP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001047243075 1347268582 /nfs/dbraw/zinc/26/85/82/1347268582.db2.gz VXRAIDIVTQVYNV-YZGWKJHDSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001047246617 1347271722 /nfs/dbraw/zinc/27/17/22/1347271722.db2.gz SVBQDWLYDLXKPP-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001047870103 1347394808 /nfs/dbraw/zinc/39/48/08/1347394808.db2.gz UEDMXPPYIDIVHB-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001048538472 1347583468 /nfs/dbraw/zinc/58/34/68/1347583468.db2.gz WFGMACOXCXVAAC-RDGPPVDQSA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001048538472 1347583471 /nfs/dbraw/zinc/58/34/71/1347583471.db2.gz WFGMACOXCXVAAC-RDGPPVDQSA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001048538472 1347583473 /nfs/dbraw/zinc/58/34/73/1347583473.db2.gz WFGMACOXCXVAAC-RDGPPVDQSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001049473294 1347866076 /nfs/dbraw/zinc/86/60/76/1347866076.db2.gz JUAODBSVDSRTMZ-YZGWKJHDSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001049473294 1347866078 /nfs/dbraw/zinc/86/60/78/1347866078.db2.gz JUAODBSVDSRTMZ-YZGWKJHDSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001049473294 1347866082 /nfs/dbraw/zinc/86/60/82/1347866082.db2.gz JUAODBSVDSRTMZ-YZGWKJHDSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477870 1347868758 /nfs/dbraw/zinc/86/87/58/1347868758.db2.gz JPJJFWWLVWWTTP-MSOLQXFVSA-N 2 1 335.536 3.116 20 0 EGADMP CC(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510320 1347885379 /nfs/dbraw/zinc/88/53/79/1347885379.db2.gz DWAKCIFVYLIZCN-IAGOWNOFSA-N 2 1 349.544 3.145 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510320 1347885381 /nfs/dbraw/zinc/88/53/81/1347885381.db2.gz DWAKCIFVYLIZCN-IAGOWNOFSA-N 2 1 349.544 3.145 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCCC2CCC2)CCC1 ZINC001049516760 1347887765 /nfs/dbraw/zinc/88/77/65/1347887765.db2.gz FSHAVOMQYJQOGP-OALUTQOASA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049524961 1347892203 /nfs/dbraw/zinc/89/22/03/1347892203.db2.gz OTKPUXNDGDRYQG-VAMGGRTRSA-N 2 1 347.547 3.259 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001049524961 1347892206 /nfs/dbraw/zinc/89/22/06/1347892206.db2.gz OTKPUXNDGDRYQG-VAMGGRTRSA-N 2 1 347.547 3.259 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001049524961 1347892207 /nfs/dbraw/zinc/89/22/07/1347892207.db2.gz OTKPUXNDGDRYQG-VAMGGRTRSA-N 2 1 347.547 3.259 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CCCC1)[NH+](C)C ZINC001049709783 1347985473 /nfs/dbraw/zinc/98/54/73/1347985473.db2.gz JNMVWVYNHIRHDV-SLFFLAALSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716669 1347989123 /nfs/dbraw/zinc/98/91/23/1347989123.db2.gz GDRIROBDHWURPA-QZTJIDSGSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049716669 1347989125 /nfs/dbraw/zinc/98/91/25/1347989125.db2.gz GDRIROBDHWURPA-QZTJIDSGSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049716669 1347989126 /nfs/dbraw/zinc/98/91/26/1347989126.db2.gz GDRIROBDHWURPA-QZTJIDSGSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CC1)[NH+]1CCCCCC1 ZINC001049768167 1348011270 /nfs/dbraw/zinc/01/12/70/1348011270.db2.gz UFGYOPRBBNHAFG-YZGWKJHDSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CC1 ZINC001049837441 1348050214 /nfs/dbraw/zinc/05/02/14/1348050214.db2.gz PQOQSARRVHKVPL-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC001049837441 1348050216 /nfs/dbraw/zinc/05/02/16/1348050216.db2.gz PQOQSARRVHKVPL-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC001049837441 1348050218 /nfs/dbraw/zinc/05/02/18/1348050218.db2.gz PQOQSARRVHKVPL-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1C ZINC001079805472 1357387941 /nfs/dbraw/zinc/38/79/41/1357387941.db2.gz SFRZYACAPRQQKY-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1C ZINC001079805472 1357387943 /nfs/dbraw/zinc/38/79/43/1357387943.db2.gz SFRZYACAPRQQKY-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1C ZINC001079805472 1357387948 /nfs/dbraw/zinc/38/79/48/1357387948.db2.gz SFRZYACAPRQQKY-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC1CCCC1 ZINC001049896274 1348098511 /nfs/dbraw/zinc/09/85/11/1348098511.db2.gz MLALKHCMKSICLK-UXHICEINSA-N 2 1 347.547 3.118 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CCCCC1 ZINC001049898218 1348099654 /nfs/dbraw/zinc/09/96/54/1348099654.db2.gz XOQBCNWHKHAZHK-WOJBJXKFSA-N 2 1 347.547 3.118 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21)[NH+](C)C ZINC001050075644 1348174178 /nfs/dbraw/zinc/17/41/78/1348174178.db2.gz LVUBVFFEGXGGFH-XUVXKRRUSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001050247623 1348217685 /nfs/dbraw/zinc/21/76/85/1348217685.db2.gz JXSXFEVUUWCADT-HXUWFJFHSA-N 2 1 343.515 3.162 20 0 EGADMP CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001050247623 1348217687 /nfs/dbraw/zinc/21/76/87/1348217687.db2.gz JXSXFEVUUWCADT-HXUWFJFHSA-N 2 1 343.515 3.162 20 0 EGADMP CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001050247623 1348217689 /nfs/dbraw/zinc/21/76/89/1348217689.db2.gz JXSXFEVUUWCADT-HXUWFJFHSA-N 2 1 343.515 3.162 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)CC1CC1 ZINC001050245924 1348217713 /nfs/dbraw/zinc/21/77/13/1348217713.db2.gz WBWZPGPFUNZCSX-FQEVSTJZSA-N 2 1 343.515 3.017 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)CC1CC1 ZINC001050245924 1348217715 /nfs/dbraw/zinc/21/77/15/1348217715.db2.gz WBWZPGPFUNZCSX-FQEVSTJZSA-N 2 1 343.515 3.017 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)CC1CC1 ZINC001050245924 1348217717 /nfs/dbraw/zinc/21/77/17/1348217717.db2.gz WBWZPGPFUNZCSX-FQEVSTJZSA-N 2 1 343.515 3.017 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)CC1CC1 ZINC001050245925 1348217825 /nfs/dbraw/zinc/21/78/25/1348217825.db2.gz WBWZPGPFUNZCSX-HXUWFJFHSA-N 2 1 343.515 3.017 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCc1ccccc1C[N@H+](C)CC1CC1 ZINC001050245925 1348217830 /nfs/dbraw/zinc/21/78/30/1348217830.db2.gz WBWZPGPFUNZCSX-HXUWFJFHSA-N 2 1 343.515 3.017 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+](C)CC1CC1 ZINC001050245925 1348217831 /nfs/dbraw/zinc/21/78/31/1348217831.db2.gz WBWZPGPFUNZCSX-HXUWFJFHSA-N 2 1 343.515 3.017 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001050332974 1348229679 /nfs/dbraw/zinc/22/96/79/1348229679.db2.gz PYWTYAPUOZOMJM-UFYCRDLUSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCCC3)CC2)C1 ZINC001050367228 1348240735 /nfs/dbraw/zinc/24/07/35/1348240735.db2.gz JBLFGDACEZKEMK-MISYRCLQSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381384 1348537160 /nfs/dbraw/zinc/53/71/60/1348537160.db2.gz PRYDSNMRCXUQGJ-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052381384 1348537161 /nfs/dbraw/zinc/53/71/61/1348537161.db2.gz PRYDSNMRCXUQGJ-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052381384 1348537163 /nfs/dbraw/zinc/53/71/63/1348537163.db2.gz PRYDSNMRCXUQGJ-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2=CCCCC2)CC1 ZINC001052499484 1348560469 /nfs/dbraw/zinc/56/04/69/1348560469.db2.gz WDBJTSMVKXGAAI-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC001052499484 1348560470 /nfs/dbraw/zinc/56/04/70/1348560470.db2.gz WDBJTSMVKXGAAI-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC001052499484 1348560473 /nfs/dbraw/zinc/56/04/73/1348560473.db2.gz WDBJTSMVKXGAAI-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052527255 1348566753 /nfs/dbraw/zinc/56/67/53/1348566753.db2.gz VFAVRPHMAHRPAL-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC001052713451 1348645921 /nfs/dbraw/zinc/64/59/21/1348645921.db2.gz XNRBFJPHAULENL-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC001052713451 1348645922 /nfs/dbraw/zinc/64/59/22/1348645922.db2.gz XNRBFJPHAULENL-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001052713451 1348645925 /nfs/dbraw/zinc/64/59/25/1348645925.db2.gz XNRBFJPHAULENL-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)cs1 ZINC001052716866 1348646099 /nfs/dbraw/zinc/64/60/99/1348646099.db2.gz QDYYPBLWYGQCJW-CRAIPNDOSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)CC2)cs1 ZINC001052716866 1348646104 /nfs/dbraw/zinc/64/61/04/1348646104.db2.gz QDYYPBLWYGQCJW-CRAIPNDOSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)CC2)cs1 ZINC001052716866 1348646106 /nfs/dbraw/zinc/64/61/06/1348646106.db2.gz QDYYPBLWYGQCJW-CRAIPNDOSA-N 2 1 349.544 3.012 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052756132 1348665492 /nfs/dbraw/zinc/66/54/92/1348665492.db2.gz BOQVMJXJTFDFJE-SFHVURJKSA-N 2 1 348.535 3.413 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052756132 1348665494 /nfs/dbraw/zinc/66/54/94/1348665494.db2.gz BOQVMJXJTFDFJE-SFHVURJKSA-N 2 1 348.535 3.413 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052763714 1348668838 /nfs/dbraw/zinc/66/88/38/1348668838.db2.gz JCVPSMGAGRCSQD-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001052763714 1348668840 /nfs/dbraw/zinc/66/88/40/1348668840.db2.gz JCVPSMGAGRCSQD-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001052763714 1348668846 /nfs/dbraw/zinc/66/88/46/1348668846.db2.gz JCVPSMGAGRCSQD-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@@H+](CC3=CCCCC3)CC2)CC1 ZINC001052766941 1348670857 /nfs/dbraw/zinc/67/08/57/1348670857.db2.gz QCXXHZWBDOKQKA-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CC3=CCCCC3)CC2)CC1 ZINC001052819984 1348689745 /nfs/dbraw/zinc/68/97/45/1348689745.db2.gz KMSXWNIIMDIOJW-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC(C)C)CC1 ZINC001052858306 1348704721 /nfs/dbraw/zinc/70/47/21/1348704721.db2.gz BSTQTLCYISVKQG-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(C)C)CC1 ZINC001052858306 1348704723 /nfs/dbraw/zinc/70/47/23/1348704723.db2.gz BSTQTLCYISVKQG-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(C)C)CC1 ZINC001052858306 1348704726 /nfs/dbraw/zinc/70/47/26/1348704726.db2.gz BSTQTLCYISVKQG-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](CC3CCCCCC3)CC2)C1 ZINC001052867397 1348710721 /nfs/dbraw/zinc/71/07/21/1348710721.db2.gz LYJKPYWLZWRMQY-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@H+](CC3CCCCCC3)CC2)C1 ZINC001052867397 1348710723 /nfs/dbraw/zinc/71/07/23/1348710723.db2.gz LYJKPYWLZWRMQY-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@@H+](CC3CCCCCC3)CC2)C1 ZINC001052867397 1348710731 /nfs/dbraw/zinc/71/07/31/1348710731.db2.gz LYJKPYWLZWRMQY-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC001052956587 1348770453 /nfs/dbraw/zinc/77/04/53/1348770453.db2.gz VKCQFOGWZKVHJG-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001052956587 1348770457 /nfs/dbraw/zinc/77/04/57/1348770457.db2.gz VKCQFOGWZKVHJG-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001052956587 1348770460 /nfs/dbraw/zinc/77/04/60/1348770460.db2.gz VKCQFOGWZKVHJG-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCCC2CCC2)CC1 ZINC001052983708 1348788537 /nfs/dbraw/zinc/78/85/37/1348788537.db2.gz CYQWKEITCOVBGS-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050627 1348853302 /nfs/dbraw/zinc/85/33/02/1348853302.db2.gz GSRIJBNYYZPBLF-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001053090784 1348916371 /nfs/dbraw/zinc/91/63/71/1348916371.db2.gz IODSOGRNDZELKF-MJGOQNOKSA-N 2 1 340.471 3.061 20 0 EGADMP CC(C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001054155889 1349158607 /nfs/dbraw/zinc/15/86/07/1349158607.db2.gz CPAXLOSZJKDGGR-NRFANRHFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001054155889 1349158610 /nfs/dbraw/zinc/15/86/10/1349158610.db2.gz CPAXLOSZJKDGGR-NRFANRHFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001054155889 1349158613 /nfs/dbraw/zinc/15/86/13/1349158613.db2.gz CPAXLOSZJKDGGR-NRFANRHFSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054198289 1349200870 /nfs/dbraw/zinc/20/08/70/1349200870.db2.gz UVPMLNYEQBCWNK-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001054198289 1349200877 /nfs/dbraw/zinc/20/08/77/1349200877.db2.gz UVPMLNYEQBCWNK-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001054198289 1349200882 /nfs/dbraw/zinc/20/08/82/1349200882.db2.gz UVPMLNYEQBCWNK-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246401 1349240958 /nfs/dbraw/zinc/24/09/58/1349240958.db2.gz YMTORSAGEVWWBO-CTNGQTDRSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246401 1349240961 /nfs/dbraw/zinc/24/09/61/1349240961.db2.gz YMTORSAGEVWWBO-CTNGQTDRSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc2c(c1)C[NH+](CC(C)C)C2 ZINC001054267517 1349264439 /nfs/dbraw/zinc/26/44/39/1349264439.db2.gz YGWQAYBVFYDZHE-HXUWFJFHSA-N 2 1 343.515 3.149 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](CC(C)C)C2 ZINC001054267517 1349264441 /nfs/dbraw/zinc/26/44/41/1349264441.db2.gz YGWQAYBVFYDZHE-HXUWFJFHSA-N 2 1 343.515 3.149 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1ccc2c(c1)C[N@H+](CC(C)C)C2 ZINC001054267517 1349264446 /nfs/dbraw/zinc/26/44/46/1349264446.db2.gz YGWQAYBVFYDZHE-HXUWFJFHSA-N 2 1 343.515 3.149 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)cc2C1 ZINC001054290008 1349294201 /nfs/dbraw/zinc/29/42/01/1349294201.db2.gz YNVIYHBTYZSVHY-FXAWDEMLSA-N 2 1 343.515 3.149 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001080318488 1357572414 /nfs/dbraw/zinc/57/24/14/1357572414.db2.gz ULOBELSTMKFAOW-AHRSYUTCSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1C[NH+](CC2CCC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001080318488 1357572417 /nfs/dbraw/zinc/57/24/17/1357572417.db2.gz ULOBELSTMKFAOW-AHRSYUTCSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1C[NH+](CC2CCC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001080318488 1357572422 /nfs/dbraw/zinc/57/24/22/1357572422.db2.gz ULOBELSTMKFAOW-AHRSYUTCSA-N 2 1 347.547 3.020 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001183082563 1387259373 /nfs/dbraw/zinc/25/93/73/1387259373.db2.gz YUJYRWATKYRORM-UQKJKQERSA-N 2 1 337.552 3.149 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001086924469 1359250060 /nfs/dbraw/zinc/25/00/60/1359250060.db2.gz TZLUVWHUEGCIQV-GUDVDZBRSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001071689153 1354852324 /nfs/dbraw/zinc/85/23/24/1354852324.db2.gz GPOWOUINFKRYCX-QAPCUYQASA-N 2 1 342.487 3.353 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C[N@@H+]1CC1CCCC1 ZINC001071769576 1354916704 /nfs/dbraw/zinc/91/67/04/1354916704.db2.gz UDWKDPBMFVIJCP-MAUKXSAKSA-N 2 1 347.503 3.114 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C[N@H+]1CC1CCCC1 ZINC001071769576 1354916711 /nfs/dbraw/zinc/91/67/11/1354916711.db2.gz UDWKDPBMFVIJCP-MAUKXSAKSA-N 2 1 347.503 3.114 20 0 EGADMP CCCC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071896244 1355011793 /nfs/dbraw/zinc/01/17/93/1355011793.db2.gz FGSQPFDIUOPQLG-LPHOPBHVSA-N 2 1 331.504 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001072085591 1355120684 /nfs/dbraw/zinc/12/06/84/1355120684.db2.gz VYZMEVYKPOIKFJ-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001072085591 1355120686 /nfs/dbraw/zinc/12/06/86/1355120686.db2.gz VYZMEVYKPOIKFJ-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072096360 1355127139 /nfs/dbraw/zinc/12/71/39/1355127139.db2.gz YBWBHMWXDZSQBN-PXNSSMCTSA-N 2 1 343.515 3.297 20 0 EGADMP CC(C)CC[N@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072099424 1355129320 /nfs/dbraw/zinc/12/93/20/1355129320.db2.gz QOBDNPHKDKEAIU-IEBWSBKVSA-N 2 1 345.531 3.377 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC3CC3)C2)o1 ZINC001072109575 1355136686 /nfs/dbraw/zinc/13/66/86/1355136686.db2.gz JHSLWRDJRPABJQ-DOTOQJQBSA-N 2 1 347.503 3.114 20 0 EGADMP CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001072909514 1355492314 /nfs/dbraw/zinc/49/23/14/1355492314.db2.gz DRBSJMXCCRTINV-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001072909514 1355492316 /nfs/dbraw/zinc/49/23/16/1355492316.db2.gz DRBSJMXCCRTINV-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001072909514 1355492320 /nfs/dbraw/zinc/49/23/20/1355492320.db2.gz DRBSJMXCCRTINV-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073033522 1355561817 /nfs/dbraw/zinc/56/18/17/1355561817.db2.gz NJWPTVGPOSNMST-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001073033522 1355561821 /nfs/dbraw/zinc/56/18/21/1355561821.db2.gz NJWPTVGPOSNMST-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001073033522 1355561825 /nfs/dbraw/zinc/56/18/25/1355561825.db2.gz NJWPTVGPOSNMST-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001094241657 1361758573 /nfs/dbraw/zinc/75/85/73/1361758573.db2.gz UNTJEJNQUZGRIF-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC2CCC2)C1 ZINC001074023726 1356040338 /nfs/dbraw/zinc/04/03/38/1356040338.db2.gz CPVRTMZWTRQANH-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CCC2)C1 ZINC001074023726 1356040340 /nfs/dbraw/zinc/04/03/40/1356040340.db2.gz CPVRTMZWTRQANH-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CCC2)C1 ZINC001074023726 1356040341 /nfs/dbraw/zinc/04/03/41/1356040341.db2.gz CPVRTMZWTRQANH-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccccc1C)[NH+](C)C ZINC001074029051 1356042767 /nfs/dbraw/zinc/04/27/67/1356042767.db2.gz YABQALNLBAYPPX-WOJBJXKFSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC001074035028 1356045945 /nfs/dbraw/zinc/04/59/45/1356045945.db2.gz FPXRSDCCQOKCAL-LJQANCHMSA-N 2 1 344.503 3.005 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC001074035028 1356045949 /nfs/dbraw/zinc/04/59/49/1356045949.db2.gz FPXRSDCCQOKCAL-LJQANCHMSA-N 2 1 344.503 3.005 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)C(C)C ZINC001074076029 1356070630 /nfs/dbraw/zinc/07/06/30/1356070630.db2.gz ZZZYHUQPCGDRLN-QGZVFWFLSA-N 2 1 334.508 3.118 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@@H]1C[N@H+](C)C(C)C ZINC001074076029 1356070632 /nfs/dbraw/zinc/07/06/32/1356070632.db2.gz ZZZYHUQPCGDRLN-QGZVFWFLSA-N 2 1 334.508 3.118 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CC2CCC2)CCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001074653767 1356220833 /nfs/dbraw/zinc/22/08/33/1356220833.db2.gz NJCOAFYOVHUCKT-QRFRQXIXSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)[C@@H]1C ZINC001074649273 1356221216 /nfs/dbraw/zinc/22/12/16/1356221216.db2.gz UJUXVWLGJMPTGL-YSIASYRMSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)[C@@H]2C)C1 ZINC001074684650 1356224313 /nfs/dbraw/zinc/22/43/13/1356224313.db2.gz ZLWAMCRGDMHAQE-IHPCNDPISA-N 2 1 347.547 3.044 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001183254734 1387285798 /nfs/dbraw/zinc/28/57/98/1387285798.db2.gz DSLUVULHZDYGLX-MGBKSAOESA-N 2 1 335.536 3.186 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001099098375 1363621008 /nfs/dbraw/zinc/62/10/08/1363621008.db2.gz OMBSIQLOPLJAFN-IAGOWNOFSA-N 2 1 343.531 3.073 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001099107385 1363625839 /nfs/dbraw/zinc/62/58/39/1363625839.db2.gz YWHDZRSMIGYQBZ-YMHTTXFNSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099106877 1363625988 /nfs/dbraw/zinc/62/59/88/1363625988.db2.gz QSSNPPRCCONNIH-KRWDZBQOSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099106966 1363626576 /nfs/dbraw/zinc/62/65/76/1363626576.db2.gz UIIIMWNPRIXDLU-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099257941 1363718757 /nfs/dbraw/zinc/71/87/57/1363718757.db2.gz MEQRXEJQCQURGJ-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099257941 1363718760 /nfs/dbraw/zinc/71/87/60/1363718760.db2.gz MEQRXEJQCQURGJ-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001082698382 1358077979 /nfs/dbraw/zinc/07/79/79/1358077979.db2.gz FJDWAIOWMHECFZ-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001183517089 1387316239 /nfs/dbraw/zinc/31/62/39/1387316239.db2.gz OOLPUQQWPMRTDG-QWFCFKBJSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085308168 1358462083 /nfs/dbraw/zinc/46/20/83/1358462083.db2.gz GMRASAUYROFGBA-GUDVDZBRSA-N 2 1 335.536 3.211 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001085629429 1358647078 /nfs/dbraw/zinc/64/70/78/1358647078.db2.gz UDIKGFBXUOZCAG-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001085629429 1358647079 /nfs/dbraw/zinc/64/70/79/1358647079.db2.gz UDIKGFBXUOZCAG-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001085629429 1358647080 /nfs/dbraw/zinc/64/70/80/1358647080.db2.gz UDIKGFBXUOZCAG-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCCC1 ZINC001085688854 1358689564 /nfs/dbraw/zinc/68/95/64/1358689564.db2.gz STCJXEOOWYEOGF-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001085688854 1358689575 /nfs/dbraw/zinc/68/95/75/1358689575.db2.gz STCJXEOOWYEOGF-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001085688854 1358689580 /nfs/dbraw/zinc/68/95/80/1358689580.db2.gz STCJXEOOWYEOGF-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CC1CCCCC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085725664 1358713670 /nfs/dbraw/zinc/71/36/70/1358713670.db2.gz CGIMVLOCYVHFJL-LJQANCHMSA-N 2 1 340.471 3.061 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCC2=CCCCC2)CC[N@H+]1C ZINC001085784544 1358759349 /nfs/dbraw/zinc/75/93/49/1358759349.db2.gz WSZXAYRAWWPDKJ-IHPCNDPISA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC2=CCCCC2)CC[NH+]1C ZINC001085784544 1358759352 /nfs/dbraw/zinc/75/93/52/1358759352.db2.gz WSZXAYRAWWPDKJ-IHPCNDPISA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCC2=CCCCC2)CC[NH+]1C ZINC001085784544 1358759357 /nfs/dbraw/zinc/75/93/57/1358759357.db2.gz WSZXAYRAWWPDKJ-IHPCNDPISA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001085855891 1358823975 /nfs/dbraw/zinc/82/39/75/1358823975.db2.gz LZHIQLFOVNFHCJ-RTBURBONSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001085855891 1358823980 /nfs/dbraw/zinc/82/39/80/1358823980.db2.gz LZHIQLFOVNFHCJ-RTBURBONSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001085855891 1358823984 /nfs/dbraw/zinc/82/39/84/1358823984.db2.gz LZHIQLFOVNFHCJ-RTBURBONSA-N 2 1 349.563 3.218 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001085987736 1358939567 /nfs/dbraw/zinc/93/95/67/1358939567.db2.gz KKWRRXXUIRKZGD-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001085987736 1358939569 /nfs/dbraw/zinc/93/95/69/1358939569.db2.gz KKWRRXXUIRKZGD-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCCC1 ZINC001085987736 1358939571 /nfs/dbraw/zinc/93/95/71/1358939571.db2.gz KKWRRXXUIRKZGD-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001086084932 1358992060 /nfs/dbraw/zinc/99/20/60/1358992060.db2.gz LHCKXSQNHZZUQX-ZCNNSNEGSA-N 2 1 349.563 3.314 20 0 EGADMP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001086119338 1359001583 /nfs/dbraw/zinc/00/15/83/1359001583.db2.gz KMEFKFOFDRQYFF-WCIQWLHISA-N 2 1 347.547 3.068 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC001086403188 1359088426 /nfs/dbraw/zinc/08/84/26/1359088426.db2.gz ZECLESJSAFSQRG-LEAZDLGRSA-N 2 1 343.515 3.106 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086712197 1359190131 /nfs/dbraw/zinc/19/01/31/1359190131.db2.gz UZVRJOLDFFHVCI-ZCNNSNEGSA-N 2 1 349.563 3.316 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925189 1359250238 /nfs/dbraw/zinc/25/02/38/1359250238.db2.gz NUDDSEVRJVHZSE-CEXWTWQISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CC2(CN1C(=O)[C@@H]1CC[N@@H+](C)C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001086956614 1359277860 /nfs/dbraw/zinc/27/78/60/1359277860.db2.gz RHFAFIMJFJGDLH-ZWKOTPCHSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087318426 1359409548 /nfs/dbraw/zinc/40/95/48/1359409548.db2.gz XRXFVEPWLSUNMA-HOJAQTOUSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@H+]1CCCC1CCC1 ZINC001087569642 1359536343 /nfs/dbraw/zinc/53/63/43/1359536343.db2.gz GKBMILGNQXNOAF-ZCNNSNEGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CCCC1CCC1 ZINC001087569642 1359536346 /nfs/dbraw/zinc/53/63/46/1359536346.db2.gz GKBMILGNQXNOAF-ZCNNSNEGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC[NH+]1CCCC1CCC1 ZINC001087569642 1359536348 /nfs/dbraw/zinc/53/63/48/1359536348.db2.gz GKBMILGNQXNOAF-ZCNNSNEGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC[N@H+]1CC1CCC1 ZINC001087749415 1359626641 /nfs/dbraw/zinc/62/66/41/1359626641.db2.gz KADQQXZOIMNXIK-YTQUADARSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212895 1359797231 /nfs/dbraw/zinc/79/72/31/1359797231.db2.gz ZOOSASAOVKHMJJ-AABGKKOBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@H]2C1 ZINC001088212895 1359797234 /nfs/dbraw/zinc/79/72/34/1359797234.db2.gz ZOOSASAOVKHMJJ-AABGKKOBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@@H]2C1 ZINC001088212895 1359797235 /nfs/dbraw/zinc/79/72/35/1359797235.db2.gz ZOOSASAOVKHMJJ-AABGKKOBSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001088382027 1359865335 /nfs/dbraw/zinc/86/53/35/1359865335.db2.gz SFEPSBOUOYZLMY-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1 ZINC001088431532 1359899708 /nfs/dbraw/zinc/89/97/08/1359899708.db2.gz YWQBEJRURFLBEE-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC001088600280 1359988049 /nfs/dbraw/zinc/98/80/49/1359988049.db2.gz HHNZWLINONTUQU-ZBFHGGJFSA-N 2 1 337.533 3.048 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC001088600280 1359988053 /nfs/dbraw/zinc/98/80/53/1359988053.db2.gz HHNZWLINONTUQU-ZBFHGGJFSA-N 2 1 337.533 3.048 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CCCC1CCC1 ZINC001088792362 1360046093 /nfs/dbraw/zinc/04/60/93/1360046093.db2.gz JDXVYGFZVBFJDD-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088890574 1360094003 /nfs/dbraw/zinc/09/40/03/1360094003.db2.gz AIKQYORRKFYBCM-WBVHZDCISA-N 2 1 346.519 3.022 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088890574 1360094005 /nfs/dbraw/zinc/09/40/05/1360094005.db2.gz AIKQYORRKFYBCM-WBVHZDCISA-N 2 1 346.519 3.022 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCC1CCCCCC1 ZINC001088983719 1360124430 /nfs/dbraw/zinc/12/44/30/1360124430.db2.gz LKWLBGXGMZBWEJ-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001089217579 1360262373 /nfs/dbraw/zinc/26/23/73/1360262373.db2.gz MHJGIPLRVSCDCQ-TZCBXBLLSA-N 2 1 349.563 3.076 20 0 EGADMP CC1CC(C[NH+](C)C[C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001089217579 1360262375 /nfs/dbraw/zinc/26/23/75/1360262375.db2.gz MHJGIPLRVSCDCQ-TZCBXBLLSA-N 2 1 349.563 3.076 20 0 EGADMP CC1CC(C[NH+](C)C[C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001089217579 1360262377 /nfs/dbraw/zinc/26/23/77/1360262377.db2.gz MHJGIPLRVSCDCQ-TZCBXBLLSA-N 2 1 349.563 3.076 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)CC(C)(C)C1 ZINC001089334879 1360347858 /nfs/dbraw/zinc/34/78/58/1360347858.db2.gz KYICBGBLSKWIGN-ZWKOTPCHSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)CC(C)(C)C1 ZINC001089334879 1360347860 /nfs/dbraw/zinc/34/78/60/1360347860.db2.gz KYICBGBLSKWIGN-ZWKOTPCHSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)CC(C)(C)C1 ZINC001089334879 1360347863 /nfs/dbraw/zinc/34/78/63/1360347863.db2.gz KYICBGBLSKWIGN-ZWKOTPCHSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089400658 1360400087 /nfs/dbraw/zinc/40/00/87/1360400087.db2.gz KEJYBYGNARXOQK-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001089400658 1360400088 /nfs/dbraw/zinc/40/00/88/1360400088.db2.gz KEJYBYGNARXOQK-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1 ZINC001089400658 1360400089 /nfs/dbraw/zinc/40/00/89/1360400089.db2.gz KEJYBYGNARXOQK-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405432 1360403979 /nfs/dbraw/zinc/40/39/79/1360403979.db2.gz CAAHKGHEJVXTKK-DLBZAZTESA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405432 1360403981 /nfs/dbraw/zinc/40/39/81/1360403981.db2.gz CAAHKGHEJVXTKK-DLBZAZTESA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492539 1360470245 /nfs/dbraw/zinc/47/02/45/1360470245.db2.gz KDVUBJKGYPRPHA-ZWKOTPCHSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492539 1360470248 /nfs/dbraw/zinc/47/02/48/1360470248.db2.gz KDVUBJKGYPRPHA-ZWKOTPCHSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492539 1360470249 /nfs/dbraw/zinc/47/02/49/1360470249.db2.gz KDVUBJKGYPRPHA-ZWKOTPCHSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493629 1360470555 /nfs/dbraw/zinc/47/05/55/1360470555.db2.gz YLVYDTGUVWTDTP-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493629 1360470556 /nfs/dbraw/zinc/47/05/56/1360470556.db2.gz YLVYDTGUVWTDTP-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493629 1360470557 /nfs/dbraw/zinc/47/05/57/1360470557.db2.gz YLVYDTGUVWTDTP-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089512009 1360483174 /nfs/dbraw/zinc/48/31/74/1360483174.db2.gz YASTXGUHEQJMFO-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089512009 1360483175 /nfs/dbraw/zinc/48/31/75/1360483175.db2.gz YASTXGUHEQJMFO-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089512009 1360483177 /nfs/dbraw/zinc/48/31/77/1360483177.db2.gz YASTXGUHEQJMFO-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC(C)(C)C1 ZINC001089516304 1360486287 /nfs/dbraw/zinc/48/62/87/1360486287.db2.gz DXAVZRCKOOEHCB-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP CC1(C)C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+](CC2CCCCC2)C1 ZINC001089564292 1360510789 /nfs/dbraw/zinc/51/07/89/1360510789.db2.gz XSWRMIRQTVBUHK-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089639389 1360553332 /nfs/dbraw/zinc/55/33/32/1360553332.db2.gz VJEVAXRSFQZVNK-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001089639389 1360553337 /nfs/dbraw/zinc/55/33/37/1360553337.db2.gz VJEVAXRSFQZVNK-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCC1 ZINC001089639389 1360553338 /nfs/dbraw/zinc/55/33/38/1360553338.db2.gz VJEVAXRSFQZVNK-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664183 1360574374 /nfs/dbraw/zinc/57/43/74/1360574374.db2.gz DTYVJGIKMSTPFV-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089734109 1360638415 /nfs/dbraw/zinc/63/84/15/1360638415.db2.gz ITAJBEVCJMQZHW-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001089734109 1360638419 /nfs/dbraw/zinc/63/84/19/1360638419.db2.gz ITAJBEVCJMQZHW-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCC1 ZINC001089734109 1360638421 /nfs/dbraw/zinc/63/84/21/1360638421.db2.gz ITAJBEVCJMQZHW-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001091059602 1360987399 /nfs/dbraw/zinc/98/73/99/1360987399.db2.gz SCYSEHWHHRHVGM-SOAGJPPSSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[NH+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091754548 1361212223 /nfs/dbraw/zinc/21/22/23/1361212223.db2.gz TZAJUQFFUMILGF-LQWHRVPQSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[N@H+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091754548 1361212224 /nfs/dbraw/zinc/21/22/24/1361212224.db2.gz TZAJUQFFUMILGF-LQWHRVPQSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[N@@H+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091754548 1361212228 /nfs/dbraw/zinc/21/22/28/1361212228.db2.gz TZAJUQFFUMILGF-LQWHRVPQSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC3CCCCCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001092021860 1361275535 /nfs/dbraw/zinc/27/55/35/1361275535.db2.gz KRJRNTBHCBRFFN-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001092782228 1361453550 /nfs/dbraw/zinc/45/35/50/1361453550.db2.gz ICWADQPVXBNTAF-CRAIPNDOSA-N 2 1 342.487 3.068 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)[C@@H](C)C1 ZINC001184711138 1387515896 /nfs/dbraw/zinc/51/58/96/1387515896.db2.gz BPCUOLKSMZTJRG-PKOBYXMFSA-N 2 1 349.563 3.291 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CCC(C)(C)C)[C@@H](C)C1 ZINC001184714020 1387517620 /nfs/dbraw/zinc/51/76/20/1387517620.db2.gz VMUBVNDQJUXUCZ-IRXDYDNUSA-N 2 1 339.568 3.227 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1 ZINC001184714018 1387517765 /nfs/dbraw/zinc/51/77/65/1387517765.db2.gz VMUBVNDQJUXUCZ-IAGOWNOFSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3CC(C)C)CCC[C@@H]12 ZINC001094457171 1361808785 /nfs/dbraw/zinc/80/87/85/1361808785.db2.gz VPIPORRHNYMJCV-SFHLNBCPSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(C)C)CC2 ZINC001094457171 1361808788 /nfs/dbraw/zinc/80/87/88/1361808788.db2.gz VPIPORRHNYMJCV-SFHLNBCPSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(C)C)CC2 ZINC001094457171 1361808790 /nfs/dbraw/zinc/80/87/90/1361808790.db2.gz VPIPORRHNYMJCV-SFHLNBCPSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001184891455 1387555867 /nfs/dbraw/zinc/55/58/67/1387555867.db2.gz GPGDFBFBRLBDTH-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001095499016 1362157585 /nfs/dbraw/zinc/15/75/85/1362157585.db2.gz NARCJXBSFKWCPY-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001095499016 1362157588 /nfs/dbraw/zinc/15/75/88/1362157588.db2.gz NARCJXBSFKWCPY-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001095499016 1362157591 /nfs/dbraw/zinc/15/75/91/1362157591.db2.gz NARCJXBSFKWCPY-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(CC)CC)C1 ZINC001095903789 1362279536 /nfs/dbraw/zinc/27/95/36/1362279536.db2.gz LWZYZEVXKYRCBW-ZRNYENFQSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(CC)CC)C1 ZINC001095903789 1362279539 /nfs/dbraw/zinc/27/95/39/1362279539.db2.gz LWZYZEVXKYRCBW-ZRNYENFQSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(CC)CC)C1 ZINC001095903789 1362279540 /nfs/dbraw/zinc/27/95/40/1362279540.db2.gz LWZYZEVXKYRCBW-ZRNYENFQSA-N 2 1 349.563 3.266 20 0 EGADMP COCn1ncc(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001324269687 1387575769 /nfs/dbraw/zinc/57/57/69/1387575769.db2.gz FJRKTMGDGMXPPE-QAPCUYQASA-N 2 1 348.516 3.030 20 0 EGADMP COCn1ncc(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001324269687 1387575776 /nfs/dbraw/zinc/57/57/76/1387575776.db2.gz FJRKTMGDGMXPPE-QAPCUYQASA-N 2 1 348.516 3.030 20 0 EGADMP CC[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1CNc1cccc(C)n1 ZINC001324284723 1387580753 /nfs/dbraw/zinc/58/07/53/1387580753.db2.gz FKQFLDYVLOWJLJ-ZWKOTPCHSA-N 2 1 344.503 3.057 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001097176931 1362874931 /nfs/dbraw/zinc/87/49/31/1362874931.db2.gz CCNWSQGLJBHBJO-BDXSIMOUSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001097176931 1362874934 /nfs/dbraw/zinc/87/49/34/1362874934.db2.gz CCNWSQGLJBHBJO-BDXSIMOUSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001097176931 1362874936 /nfs/dbraw/zinc/87/49/36/1362874936.db2.gz CCNWSQGLJBHBJO-BDXSIMOUSA-N 2 1 335.536 3.019 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001097343051 1362944191 /nfs/dbraw/zinc/94/41/91/1362944191.db2.gz FLXCHXUQZCATQV-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001097343051 1362944192 /nfs/dbraw/zinc/94/41/92/1362944192.db2.gz FLXCHXUQZCATQV-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001097343051 1362944194 /nfs/dbraw/zinc/94/41/94/1362944194.db2.gz FLXCHXUQZCATQV-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001097343051 1362944195 /nfs/dbraw/zinc/94/41/95/1362944195.db2.gz FLXCHXUQZCATQV-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CC1(C)CCC(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCCC2)C3)CC1 ZINC001098400728 1363316676 /nfs/dbraw/zinc/31/66/76/1363316676.db2.gz LYBCTAYVSQWLCD-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CCC(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCCC2)C3)CC1 ZINC001098400728 1363316680 /nfs/dbraw/zinc/31/66/80/1363316680.db2.gz LYBCTAYVSQWLCD-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098875850 1363501602 /nfs/dbraw/zinc/50/16/02/1363501602.db2.gz WVJBELFEMANNFS-NSHGMRRFSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098875850 1363501605 /nfs/dbraw/zinc/50/16/05/1363501605.db2.gz WVJBELFEMANNFS-NSHGMRRFSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001098875850 1363501606 /nfs/dbraw/zinc/50/16/06/1363501606.db2.gz WVJBELFEMANNFS-NSHGMRRFSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC001324458202 1387629576 /nfs/dbraw/zinc/62/95/76/1387629576.db2.gz XSWVEXUGJPATNZ-IRXDYDNUSA-N 2 1 348.560 3.358 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185171476 1387632587 /nfs/dbraw/zinc/63/25/87/1387632587.db2.gz WHWOQAHMOZFPPE-FNYRVFDFSA-N 2 1 349.563 3.149 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCCC1)C2 ZINC001099028413 1363583094 /nfs/dbraw/zinc/58/30/94/1363583094.db2.gz XOCMBEIGDHQOKX-CUWPLCDZSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCCCC1)C2 ZINC001099028413 1363583098 /nfs/dbraw/zinc/58/30/98/1363583098.db2.gz XOCMBEIGDHQOKX-CUWPLCDZSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCCC1)C2 ZINC001099028413 1363583100 /nfs/dbraw/zinc/58/31/00/1363583100.db2.gz XOCMBEIGDHQOKX-CUWPLCDZSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001099059319 1363599950 /nfs/dbraw/zinc/59/99/50/1363599950.db2.gz DFPLNVZKMAPLIW-HBFSDRIKSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CC1 ZINC001099106601 1363625181 /nfs/dbraw/zinc/62/51/81/1363625181.db2.gz JWSGMKHZNWVBCY-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001099106601 1363625186 /nfs/dbraw/zinc/62/51/86/1363625186.db2.gz JWSGMKHZNWVBCY-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001099106601 1363625188 /nfs/dbraw/zinc/62/51/88/1363625188.db2.gz JWSGMKHZNWVBCY-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099110811 1363628527 /nfs/dbraw/zinc/62/85/27/1363628527.db2.gz JIHNVSBJYRWGDV-GOSISDBHSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110811 1363628529 /nfs/dbraw/zinc/62/85/29/1363628529.db2.gz JIHNVSBJYRWGDV-GOSISDBHSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110811 1363628532 /nfs/dbraw/zinc/62/85/32/1363628532.db2.gz JIHNVSBJYRWGDV-GOSISDBHSA-N 2 1 335.536 3.044 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001099199907 1363688396 /nfs/dbraw/zinc/68/83/96/1363688396.db2.gz RPSLAEGHHZSGQY-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CC(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099234018 1363705548 /nfs/dbraw/zinc/70/55/48/1363705548.db2.gz GBTODHPGSHLPED-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001099234018 1363705549 /nfs/dbraw/zinc/70/55/49/1363705549.db2.gz GBTODHPGSHLPED-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001099234018 1363705553 /nfs/dbraw/zinc/70/55/53/1363705553.db2.gz GBTODHPGSHLPED-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099235140 1363706136 /nfs/dbraw/zinc/70/61/36/1363706136.db2.gz POZIWVUXWVIYCP-HMTUNPETSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C ZINC001099276984 1363728494 /nfs/dbraw/zinc/72/84/94/1363728494.db2.gz ZLFPRDMVSFCSCZ-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP CC(C)CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001099311136 1363744741 /nfs/dbraw/zinc/74/47/41/1363744741.db2.gz YIYAZYIINWAJLW-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099535512 1363837926 /nfs/dbraw/zinc/83/79/26/1363837926.db2.gz GXTCGEPBUYUSPB-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+](CCCC3CCC3)C[C@@]2(C)C1 ZINC001101285243 1364498498 /nfs/dbraw/zinc/49/84/98/1364498498.db2.gz UNOCQDBTRXXXLE-NQIIRXRSSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CCCC3CCC3)C[C@@]2(C)C1 ZINC001101285243 1364498503 /nfs/dbraw/zinc/49/85/03/1364498503.db2.gz UNOCQDBTRXXXLE-NQIIRXRSSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](CCCC3CCC3)C[C@@]2(C)C1 ZINC001101285243 1364498505 /nfs/dbraw/zinc/49/85/05/1364498505.db2.gz UNOCQDBTRXXXLE-NQIIRXRSSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCCC3CCCC3)C[C@@]2(C)C1 ZINC001101418221 1364553634 /nfs/dbraw/zinc/55/36/34/1364553634.db2.gz GPYRQQDMYVKFDX-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCCC3CCCC3)C[C@@]2(C)C1 ZINC001101418221 1364553637 /nfs/dbraw/zinc/55/36/37/1364553637.db2.gz GPYRQQDMYVKFDX-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CCCC3CCCC3)C[C@@]2(C)C1 ZINC001101418221 1364553638 /nfs/dbraw/zinc/55/36/38/1364553638.db2.gz GPYRQQDMYVKFDX-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474299 1364575823 /nfs/dbraw/zinc/57/58/23/1364575823.db2.gz RSDXBIIGRNVABI-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001102021144 1364813940 /nfs/dbraw/zinc/81/39/40/1364813940.db2.gz IXFFZXNYHVOQDK-ODWICZQRSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H](C)C1 ZINC001102021144 1364813942 /nfs/dbraw/zinc/81/39/42/1364813942.db2.gz IXFFZXNYHVOQDK-ODWICZQRSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)[C@H](C)C1 ZINC001102021144 1364813946 /nfs/dbraw/zinc/81/39/46/1364813946.db2.gz IXFFZXNYHVOQDK-ODWICZQRSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102045090 1364821626 /nfs/dbraw/zinc/82/16/26/1364821626.db2.gz REENEFUKUAMUFJ-PFRNKHFKSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102045090 1364821629 /nfs/dbraw/zinc/82/16/29/1364821629.db2.gz REENEFUKUAMUFJ-PFRNKHFKSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001102045090 1364821632 /nfs/dbraw/zinc/82/16/32/1364821632.db2.gz REENEFUKUAMUFJ-PFRNKHFKSA-N 2 1 349.563 3.290 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051648 1364823434 /nfs/dbraw/zinc/82/34/34/1364823434.db2.gz CKOHKFJKDHCCHR-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102051648 1364823438 /nfs/dbraw/zinc/82/34/38/1364823438.db2.gz CKOHKFJKDHCCHR-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102051648 1364823441 /nfs/dbraw/zinc/82/34/41/1364823441.db2.gz CKOHKFJKDHCCHR-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001102109457 1364863005 /nfs/dbraw/zinc/86/30/05/1364863005.db2.gz LGEHVHWETRDGNI-NVXWUHKLSA-N 2 1 342.487 3.131 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C)[NH+](CC)CC ZINC001102357690 1365020833 /nfs/dbraw/zinc/02/08/33/1365020833.db2.gz FRDNLJDLFSJHGK-KURKYZTESA-N 2 1 339.568 3.227 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102430356 1365050544 /nfs/dbraw/zinc/05/05/44/1365050544.db2.gz NPYHHDPGAAECRA-SHOKJUJBSA-N 2 1 349.563 3.291 20 0 EGADMP CCCc1ccc(C[N@H+]2CC[C@](C)(NC(=O)[C@H](CC)[NH+](C)C)C2)cc1 ZINC001324646533 1387716954 /nfs/dbraw/zinc/71/69/54/1387716954.db2.gz IJQPSHWIVJHFPZ-FPOVZHCZSA-N 2 1 345.531 3.060 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102472235 1365074308 /nfs/dbraw/zinc/07/43/08/1365074308.db2.gz PYMSXHCBZZCRHK-QRVBRYPASA-N 2 1 339.568 3.227 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H]1C[NH+](CC(C)C)C[C@H]1C)c1ccccc1 ZINC001102509035 1365093069 /nfs/dbraw/zinc/09/30/69/1365093069.db2.gz QUKLGCAIKJOLDZ-MISYRCLQSA-N 2 1 345.531 3.020 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(C)C)C[C@H]1C)c1ccccc1 ZINC001102509035 1365093075 /nfs/dbraw/zinc/09/30/75/1365093075.db2.gz QUKLGCAIKJOLDZ-MISYRCLQSA-N 2 1 345.531 3.020 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C)c1ccccc1 ZINC001102509035 1365093085 /nfs/dbraw/zinc/09/30/85/1365093085.db2.gz QUKLGCAIKJOLDZ-MISYRCLQSA-N 2 1 345.531 3.020 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102521037 1365097222 /nfs/dbraw/zinc/09/72/22/1365097222.db2.gz NSVXXUISIMJITP-JNVNVXKGSA-N 2 1 337.552 3.149 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102601853 1365131382 /nfs/dbraw/zinc/13/13/82/1365131382.db2.gz SOGAKYCGOHNZAL-PFRNKHFKSA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102601852 1365131444 /nfs/dbraw/zinc/13/14/44/1365131444.db2.gz SOGAKYCGOHNZAL-JCHUFIKGSA-N 2 1 349.563 3.147 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001102977403 1365324497 /nfs/dbraw/zinc/32/44/97/1365324497.db2.gz ZJLLJWBFCNZEOL-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001102977403 1365324503 /nfs/dbraw/zinc/32/45/03/1365324503.db2.gz ZJLLJWBFCNZEOL-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001102977403 1365324507 /nfs/dbraw/zinc/32/45/07/1365324507.db2.gz ZJLLJWBFCNZEOL-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001102987776 1365328409 /nfs/dbraw/zinc/32/84/09/1365328409.db2.gz QPQOMJHYMXZXAT-QRVBRYPASA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001102987776 1365328411 /nfs/dbraw/zinc/32/84/11/1365328411.db2.gz QPQOMJHYMXZXAT-QRVBRYPASA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001102987776 1365328412 /nfs/dbraw/zinc/32/84/12/1365328412.db2.gz QPQOMJHYMXZXAT-QRVBRYPASA-N 2 1 349.563 3.124 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001185546492 1387744140 /nfs/dbraw/zinc/74/41/40/1387744140.db2.gz CKMJBMPSHGZZDQ-XSAZBNQGSA-N 2 1 337.552 3.149 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001103439500 1365561727 /nfs/dbraw/zinc/56/17/27/1365561727.db2.gz FDKIEXYTYKNCTF-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001103439500 1365561729 /nfs/dbraw/zinc/56/17/29/1365561729.db2.gz FDKIEXYTYKNCTF-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001103439500 1365561732 /nfs/dbraw/zinc/56/17/32/1365561732.db2.gz FDKIEXYTYKNCTF-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001103648899 1365700820 /nfs/dbraw/zinc/70/08/20/1365700820.db2.gz QTFZZJIPYQMHMA-IAGOWNOFSA-N 2 1 346.519 3.026 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722553 1365748821 /nfs/dbraw/zinc/74/88/21/1365748821.db2.gz SPTHXSSEGQTBSD-UYAOXDASSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001103755458 1365766266 /nfs/dbraw/zinc/76/62/66/1365766266.db2.gz HVEFQNJVVWSOBC-UYAOXDASSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C ZINC001103755458 1365766267 /nfs/dbraw/zinc/76/62/67/1365766267.db2.gz HVEFQNJVVWSOBC-UYAOXDASSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C ZINC001103755458 1365766268 /nfs/dbraw/zinc/76/62/68/1365766268.db2.gz HVEFQNJVVWSOBC-UYAOXDASSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001185682570 1387776780 /nfs/dbraw/zinc/77/67/80/1387776780.db2.gz QTZFLEQBXOGYAY-JISXSJDESA-N 2 1 346.519 3.012 20 0 EGADMP CC(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104291337 1365977640 /nfs/dbraw/zinc/97/76/40/1365977640.db2.gz MSFOWYINGFOIJE-QWFCFKBJSA-N 2 1 349.563 3.124 20 0 EGADMP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104355039 1365983484 /nfs/dbraw/zinc/98/34/84/1365983484.db2.gz KTODIPAOVMEBSR-PFRNKHFKSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccc(F)cc1 ZINC001185705517 1387783086 /nfs/dbraw/zinc/78/30/86/1387783086.db2.gz DXBXXKPEPKHECB-MAUKXSAKSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001104896619 1366213670 /nfs/dbraw/zinc/21/36/70/1366213670.db2.gz HRXUBCGFMBESCS-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001104932764 1366229532 /nfs/dbraw/zinc/22/95/32/1366229532.db2.gz MSRRSGLQJLOPIF-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2[NH+](CC(C)C)CC23CCC3)CC1 ZINC001105396744 1366445191 /nfs/dbraw/zinc/44/51/91/1366445191.db2.gz UUCYOUBVQDMETP-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@@H]2[N@H+](CC(C)C)CC23CCC3)CC1 ZINC001105396744 1366445194 /nfs/dbraw/zinc/44/51/94/1366445194.db2.gz UUCYOUBVQDMETP-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@@H]2[N@@H+](CC(C)C)CC23CCC3)CC1 ZINC001105396744 1366445196 /nfs/dbraw/zinc/44/51/96/1366445196.db2.gz UUCYOUBVQDMETP-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CCC[C@H]2C)CCC1 ZINC001105563349 1366533098 /nfs/dbraw/zinc/53/30/98/1366533098.db2.gz KSLZMTFXEDKVIM-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)CCC1 ZINC001105566345 1366534820 /nfs/dbraw/zinc/53/48/20/1366534820.db2.gz IQOODCCGLRTFKA-KRWDZBQOSA-N 2 1 346.519 3.167 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105574828 1366539830 /nfs/dbraw/zinc/53/98/30/1366539830.db2.gz JKWVCGQDXRUYGB-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105574827 1366540012 /nfs/dbraw/zinc/54/00/12/1366540012.db2.gz JKWVCGQDXRUYGB-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328992 1366929910 /nfs/dbraw/zinc/92/99/10/1366929910.db2.gz DTBXDMLFAGSGRQ-CSDOGUONSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107328992 1366929912 /nfs/dbraw/zinc/92/99/12/1366929912.db2.gz DTBXDMLFAGSGRQ-CSDOGUONSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107328992 1366929916 /nfs/dbraw/zinc/92/99/16/1366929916.db2.gz DTBXDMLFAGSGRQ-CSDOGUONSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2)[NH+](CC)CC ZINC001107544131 1367035126 /nfs/dbraw/zinc/03/51/26/1367035126.db2.gz NOTNIMMCRMRPQJ-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107544355 1367035986 /nfs/dbraw/zinc/03/59/86/1367035986.db2.gz ZFRNJVMRGCXSGL-NLWGTHIKSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107579076 1367053044 /nfs/dbraw/zinc/05/30/44/1367053044.db2.gz RFBDAPCHQPNCGC-UYAOXDASSA-N 2 1 346.519 3.133 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107579076 1367053050 /nfs/dbraw/zinc/05/30/50/1367053050.db2.gz RFBDAPCHQPNCGC-UYAOXDASSA-N 2 1 346.519 3.133 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107582615 1367057448 /nfs/dbraw/zinc/05/74/48/1367057448.db2.gz MDLWZZIQZYBYLT-UYAOXDASSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001109356161 1367085248 /nfs/dbraw/zinc/08/52/48/1367085248.db2.gz GVLSMEREVWKAJV-IKGGRYGDSA-N 2 1 349.544 3.335 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001109356161 1367085251 /nfs/dbraw/zinc/08/52/51/1367085251.db2.gz GVLSMEREVWKAJV-IKGGRYGDSA-N 2 1 349.544 3.335 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001109399644 1367104043 /nfs/dbraw/zinc/10/40/43/1367104043.db2.gz QIVAJCVRGLPGGM-FYQPLNBISA-N 2 1 347.547 3.305 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001109399644 1367104045 /nfs/dbraw/zinc/10/40/45/1367104045.db2.gz QIVAJCVRGLPGGM-FYQPLNBISA-N 2 1 347.547 3.305 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001109399644 1367104049 /nfs/dbraw/zinc/10/40/49/1367104049.db2.gz QIVAJCVRGLPGGM-FYQPLNBISA-N 2 1 347.547 3.305 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001109473751 1367145425 /nfs/dbraw/zinc/14/54/25/1367145425.db2.gz DBROXUCZORGKKW-FYQPLNBISA-N 2 1 349.563 3.409 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001109473751 1367145428 /nfs/dbraw/zinc/14/54/28/1367145428.db2.gz DBROXUCZORGKKW-FYQPLNBISA-N 2 1 349.563 3.409 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001109473751 1367145432 /nfs/dbraw/zinc/14/54/32/1367145432.db2.gz DBROXUCZORGKKW-FYQPLNBISA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001186067771 1387858340 /nfs/dbraw/zinc/85/83/40/1387858340.db2.gz VYJPVRVOBBWYJE-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190177271 1367191802 /nfs/dbraw/zinc/19/18/02/1367191802.db2.gz QRXOCFCWVDCPBC-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001109654014 1367265387 /nfs/dbraw/zinc/26/53/87/1367265387.db2.gz RIZBQHYPWXHNBZ-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480922 1367273062 /nfs/dbraw/zinc/27/30/62/1367273062.db2.gz MJNFPQUASBHWMI-VQTJNVASSA-N 2 1 349.563 3.366 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001190485366 1367274137 /nfs/dbraw/zinc/27/41/37/1367274137.db2.gz ZPOBMNVUJDWKEC-YZBXUTEPSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001190485366 1367274141 /nfs/dbraw/zinc/27/41/41/1367274141.db2.gz ZPOBMNVUJDWKEC-YZBXUTEPSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001190485366 1367274145 /nfs/dbraw/zinc/27/41/45/1367274145.db2.gz ZPOBMNVUJDWKEC-YZBXUTEPSA-N 2 1 335.536 3.140 20 0 EGADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCCC1 ZINC001109673141 1367275001 /nfs/dbraw/zinc/27/50/01/1367275001.db2.gz FUTZLPVLTQZEAJ-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@]1(C)CCC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC001324974975 1387863992 /nfs/dbraw/zinc/86/39/92/1387863992.db2.gz DEEUBJVSFQVJEZ-YLJYHZDGSA-N 2 1 348.535 3.092 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@]1(C)CCC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001324974975 1387864000 /nfs/dbraw/zinc/86/40/00/1387864000.db2.gz DEEUBJVSFQVJEZ-YLJYHZDGSA-N 2 1 348.535 3.092 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190654293 1367319304 /nfs/dbraw/zinc/31/93/04/1367319304.db2.gz JKOZSUVEMKIBIT-PWBPZBFBSA-N 2 1 335.536 3.138 20 0 EGADMP CC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190654293 1367319310 /nfs/dbraw/zinc/31/93/10/1367319310.db2.gz JKOZSUVEMKIBIT-PWBPZBFBSA-N 2 1 335.536 3.138 20 0 EGADMP CC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190654293 1367319312 /nfs/dbraw/zinc/31/93/12/1367319312.db2.gz JKOZSUVEMKIBIT-PWBPZBFBSA-N 2 1 335.536 3.138 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191061540 1367413208 /nfs/dbraw/zinc/41/32/08/1367413208.db2.gz LRQVCKHNDCJLNN-SJLPKXTDSA-N 2 1 337.552 3.218 20 0 EGADMP CC[C@@H](C)C[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001191061540 1367413213 /nfs/dbraw/zinc/41/32/13/1367413213.db2.gz LRQVCKHNDCJLNN-SJLPKXTDSA-N 2 1 337.552 3.218 20 0 EGADMP CC[C@@H](C)C[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001191061540 1367413215 /nfs/dbraw/zinc/41/32/15/1367413215.db2.gz LRQVCKHNDCJLNN-SJLPKXTDSA-N 2 1 337.552 3.218 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001110007277 1367455720 /nfs/dbraw/zinc/45/57/20/1367455720.db2.gz OVHUEXZDZRLDJK-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1cccc(C)c1 ZINC001110021922 1367461696 /nfs/dbraw/zinc/46/16/96/1367461696.db2.gz NYLPFNUJGNYRLL-RNQOJCNYSA-N 2 1 343.515 3.119 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1cccc(C)c1 ZINC001110021922 1367461699 /nfs/dbraw/zinc/46/16/99/1367461699.db2.gz NYLPFNUJGNYRLL-RNQOJCNYSA-N 2 1 343.515 3.119 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1cccc(C)c1 ZINC001110021922 1367461705 /nfs/dbraw/zinc/46/17/05/1367461705.db2.gz NYLPFNUJGNYRLL-RNQOJCNYSA-N 2 1 343.515 3.119 20 0 EGADMP Cc1ccccc1C1CC([NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2CC2)C1 ZINC001191330608 1367478088 /nfs/dbraw/zinc/47/80/88/1367478088.db2.gz SPIVFVMHKWRLLX-UUKMXZOPSA-N 2 1 330.516 3.407 20 0 EGADMP Cc1ccccc1C1CC([N@H+](C[C@@H](O)C[NH+](C)C(C)C)C2CC2)C1 ZINC001191330608 1367478089 /nfs/dbraw/zinc/47/80/89/1367478089.db2.gz SPIVFVMHKWRLLX-UUKMXZOPSA-N 2 1 330.516 3.407 20 0 EGADMP Cc1ccccc1C1CC([N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2CC2)C1 ZINC001191330608 1367478093 /nfs/dbraw/zinc/47/80/93/1367478093.db2.gz SPIVFVMHKWRLLX-UUKMXZOPSA-N 2 1 330.516 3.407 20 0 EGADMP C[N@@H+](CCCC1CCC1)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191350771 1367482061 /nfs/dbraw/zinc/48/20/61/1367482061.db2.gz BTWOKXBCBAXFIS-IBGZPJMESA-N 2 1 340.471 3.061 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCCC1 ZINC001110160672 1367533028 /nfs/dbraw/zinc/53/30/28/1367533028.db2.gz YWWDGGYGPWYJFV-AABGKKOBSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCCC1 ZINC001110160672 1367533033 /nfs/dbraw/zinc/53/30/33/1367533033.db2.gz YWWDGGYGPWYJFV-AABGKKOBSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCCC1 ZINC001110160672 1367533039 /nfs/dbraw/zinc/53/30/39/1367533039.db2.gz YWWDGGYGPWYJFV-AABGKKOBSA-N 2 1 349.563 3.409 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110190953 1367557507 /nfs/dbraw/zinc/55/75/07/1367557507.db2.gz ZWZLODBLNMLNBC-QYZOEREBSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCCC3CCC3)C2)C1 ZINC001191922826 1367639067 /nfs/dbraw/zinc/63/90/67/1367639067.db2.gz OPQACRJPRZEZMG-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCCC3CCC3)C2)C1 ZINC001191922826 1367639071 /nfs/dbraw/zinc/63/90/71/1367639071.db2.gz OPQACRJPRZEZMG-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCCC3CCC3)C2)C1 ZINC001191922826 1367639076 /nfs/dbraw/zinc/63/90/76/1367639076.db2.gz OPQACRJPRZEZMG-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110550493 1367826285 /nfs/dbraw/zinc/82/62/85/1367826285.db2.gz RVTQCEFDSNRFOD-AKHDSKFASA-N 2 1 335.536 3.161 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110550493 1367826291 /nfs/dbraw/zinc/82/62/91/1367826291.db2.gz RVTQCEFDSNRFOD-AKHDSKFASA-N 2 1 335.536 3.161 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001110550493 1367826297 /nfs/dbraw/zinc/82/62/97/1367826297.db2.gz RVTQCEFDSNRFOD-AKHDSKFASA-N 2 1 335.536 3.161 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671550 1367846741 /nfs/dbraw/zinc/84/67/41/1367846741.db2.gz MYZMLKGPONDQFU-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192671550 1367846746 /nfs/dbraw/zinc/84/67/46/1367846746.db2.gz MYZMLKGPONDQFU-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192671550 1367846754 /nfs/dbraw/zinc/84/67/54/1367846754.db2.gz MYZMLKGPONDQFU-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC(CC)CC)C1 ZINC001192906498 1367901419 /nfs/dbraw/zinc/90/14/19/1367901419.db2.gz LVCZVPRVUNNDCN-IBGZPJMESA-N 2 1 339.568 3.467 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CC(CC)CC)C1 ZINC001192906498 1367901421 /nfs/dbraw/zinc/90/14/21/1367901421.db2.gz LVCZVPRVUNNDCN-IBGZPJMESA-N 2 1 339.568 3.467 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CC(CC)CC)C1 ZINC001192906498 1367901424 /nfs/dbraw/zinc/90/14/24/1367901424.db2.gz LVCZVPRVUNNDCN-IBGZPJMESA-N 2 1 339.568 3.467 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916608 1367903834 /nfs/dbraw/zinc/90/38/34/1367903834.db2.gz ABDFNGFUKHMQNE-ONNQBUSKSA-N 2 1 337.552 3.242 20 0 EGADMP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001110662657 1367904687 /nfs/dbraw/zinc/90/46/87/1367904687.db2.gz PODPNBROKOFYGD-ZJPYXAASSA-N 2 1 344.503 3.062 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001110662657 1367904693 /nfs/dbraw/zinc/90/46/93/1367904693.db2.gz PODPNBROKOFYGD-ZJPYXAASSA-N 2 1 344.503 3.062 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110693607 1367931703 /nfs/dbraw/zinc/93/17/03/1367931703.db2.gz OTEUBKTVYFEMJH-WYZCFTOYSA-N 2 1 335.536 3.041 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1)[NH+](C)C ZINC001110715169 1367944665 /nfs/dbraw/zinc/94/46/65/1367944665.db2.gz RAHLHTMPSKZJBM-MKXGPGLRSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280760 1367989331 /nfs/dbraw/zinc/98/93/31/1367989331.db2.gz XPGBQKLAODASJX-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193280760 1367989337 /nfs/dbraw/zinc/98/93/37/1367989337.db2.gz XPGBQKLAODASJX-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193280760 1367989341 /nfs/dbraw/zinc/98/93/41/1367989341.db2.gz XPGBQKLAODASJX-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CCCN1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1=O ZINC001193484814 1368044168 /nfs/dbraw/zinc/04/41/68/1368044168.db2.gz JALXIYLREDCQCN-UHFFFAOYSA-N 2 1 343.515 3.117 20 0 EGADMP CCCN1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1=O ZINC001193484814 1368044171 /nfs/dbraw/zinc/04/41/71/1368044171.db2.gz JALXIYLREDCQCN-UHFFFAOYSA-N 2 1 343.515 3.117 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001193560818 1368062051 /nfs/dbraw/zinc/06/20/51/1368062051.db2.gz VHGRLZVMBSDNDL-AZUAARDMSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@@H](CC)c2ccccc2)C1 ZINC001193643037 1368081769 /nfs/dbraw/zinc/08/17/69/1368081769.db2.gz PTGNPVGGSWXARI-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)[C@@H](CC)c2ccccc2)C1 ZINC001193643037 1368081774 /nfs/dbraw/zinc/08/17/74/1368081774.db2.gz PTGNPVGGSWXARI-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](CC)c2ccccc2)C1 ZINC001193643037 1368081780 /nfs/dbraw/zinc/08/17/80/1368081780.db2.gz PTGNPVGGSWXARI-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001111081117 1368154921 /nfs/dbraw/zinc/15/49/21/1368154921.db2.gz HRFOCSIQWRMMOV-KURKYZTESA-N 2 1 346.519 3.308 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001111081117 1368154924 /nfs/dbraw/zinc/15/49/24/1368154924.db2.gz HRFOCSIQWRMMOV-KURKYZTESA-N 2 1 346.519 3.308 20 0 EGADMP C[N@@H+](Cc1ccsc1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194079318 1368179441 /nfs/dbraw/zinc/17/94/41/1368179441.db2.gz BHGZQZQEWLLCDF-GOSISDBHSA-N 2 1 349.544 3.047 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001111297884 1368257610 /nfs/dbraw/zinc/25/76/10/1368257610.db2.gz ZUFZGOFQRKBUMZ-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429607 1368259161 /nfs/dbraw/zinc/25/91/61/1368259161.db2.gz KIGTWGRRTWYAGS-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001111463209 1368311309 /nfs/dbraw/zinc/31/13/09/1368311309.db2.gz DRUUIJZZQREUQS-AKHDSKFASA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001111463209 1368311312 /nfs/dbraw/zinc/31/13/12/1368311312.db2.gz DRUUIJZZQREUQS-AKHDSKFASA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001111463209 1368311317 /nfs/dbraw/zinc/31/13/17/1368311317.db2.gz DRUUIJZZQREUQS-AKHDSKFASA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C)[NH+]1CCCC1 ZINC001111467241 1368312068 /nfs/dbraw/zinc/31/20/68/1368312068.db2.gz BZHRMBHGLOHKKW-YRXWBPOGSA-N 2 1 349.563 3.265 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001186412941 1387938120 /nfs/dbraw/zinc/93/81/20/1387938120.db2.gz ZULPBSSBIYGPFF-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782403 1368459421 /nfs/dbraw/zinc/45/94/21/1368459421.db2.gz HIADKJRWOKNIQD-ZVDOUQERSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001111782403 1368459425 /nfs/dbraw/zinc/45/94/25/1368459425.db2.gz HIADKJRWOKNIQD-ZVDOUQERSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001111782403 1368459427 /nfs/dbraw/zinc/45/94/27/1368459427.db2.gz HIADKJRWOKNIQD-ZVDOUQERSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1=CCCCC1)C2)[NH+](C)C ZINC001111875045 1368521349 /nfs/dbraw/zinc/52/13/49/1368521349.db2.gz OAWBGJLJKMDAOG-ZJOUEHCJSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCCC1)C2 ZINC001111951098 1368571402 /nfs/dbraw/zinc/57/14/02/1368571402.db2.gz SKAQCGIKYDESOZ-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCCCC1)C2 ZINC001111951098 1368571405 /nfs/dbraw/zinc/57/14/05/1368571405.db2.gz SKAQCGIKYDESOZ-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCCC1)C2 ZINC001111951098 1368571408 /nfs/dbraw/zinc/57/14/08/1368571408.db2.gz SKAQCGIKYDESOZ-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(CC)CC)C2 ZINC001111950865 1368571495 /nfs/dbraw/zinc/57/14/95/1368571495.db2.gz FXVAGADWQOOASU-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(CC)CC)C2 ZINC001111950865 1368571496 /nfs/dbraw/zinc/57/14/96/1368571496.db2.gz FXVAGADWQOOASU-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(CC)CC)C2 ZINC001111950865 1368571499 /nfs/dbraw/zinc/57/14/99/1368571499.db2.gz FXVAGADWQOOASU-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC001196242174 1368574768 /nfs/dbraw/zinc/57/47/68/1368574768.db2.gz FPNNOAUTHHARDS-QZTJIDSGSA-N 2 1 334.508 3.051 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001196275136 1368581711 /nfs/dbraw/zinc/58/17/11/1368581711.db2.gz GRTROXGQJBGRHT-UHDDOPSISA-N 2 1 347.547 3.284 20 0 EGADMP CCc1ccc(C[NH+]2CCCN(C(=O)C(C)(C)[N@H+](C)CC)CC2)cc1 ZINC001196342054 1368593518 /nfs/dbraw/zinc/59/35/18/1368593518.db2.gz VZHDIWCSMKLPKI-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccc(C[N@H+]2CCCN(C(=O)C(C)(C)[NH+](C)CC)CC2)cc1 ZINC001196342054 1368593524 /nfs/dbraw/zinc/59/35/24/1368593524.db2.gz VZHDIWCSMKLPKI-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccc(C[N@@H+]2CCCN(C(=O)C(C)(C)[NH+](C)CC)CC2)cc1 ZINC001196342054 1368593534 /nfs/dbraw/zinc/59/35/34/1368593534.db2.gz VZHDIWCSMKLPKI-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001196349804 1368595311 /nfs/dbraw/zinc/59/53/11/1368595311.db2.gz NOOYUAUSJRQPNY-GOSISDBHSA-N 2 1 345.531 3.321 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+]([C@H](C)c2ccccc2C)CC1 ZINC001196349804 1368595315 /nfs/dbraw/zinc/59/53/15/1368595315.db2.gz NOOYUAUSJRQPNY-GOSISDBHSA-N 2 1 345.531 3.321 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+]([C@H](C)c2ccccc2C)CC1 ZINC001196349804 1368595317 /nfs/dbraw/zinc/59/53/17/1368595317.db2.gz NOOYUAUSJRQPNY-GOSISDBHSA-N 2 1 345.531 3.321 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196620033 1368651409 /nfs/dbraw/zinc/65/14/09/1368651409.db2.gz SKNQONIGRRJYLG-QUCCMNQESA-N 2 1 349.563 3.077 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+]2CCCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001196963269 1368722081 /nfs/dbraw/zinc/72/20/81/1368722081.db2.gz PTQUIINUXUOGEI-IBGZPJMESA-N 2 1 345.531 3.241 20 0 EGADMP CC[C@@H](C(=O)N1CCC[N@@H+](C[C@H](C)CC(C)C)CC1)[NH+](CC)CC ZINC001197141328 1368753699 /nfs/dbraw/zinc/75/36/99/1368753699.db2.gz GWXNVOVEERPSRL-MOPGFXCFSA-N 2 1 339.568 3.323 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001197142293 1368753818 /nfs/dbraw/zinc/75/38/18/1368753818.db2.gz WMNQQMMXSYHVCE-GNISGLHKSA-N 2 1 337.552 3.388 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001197300912 1368783407 /nfs/dbraw/zinc/78/34/07/1368783407.db2.gz WEFICOHQJQTAGS-SFHVURJKSA-N 2 1 348.535 3.223 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001197300912 1368783412 /nfs/dbraw/zinc/78/34/12/1368783412.db2.gz WEFICOHQJQTAGS-SFHVURJKSA-N 2 1 348.535 3.223 20 0 EGADMP CCC/C=C/CC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001197300871 1368783841 /nfs/dbraw/zinc/78/38/41/1368783841.db2.gz UIKKGZBNCRDVBY-VOTSOKGWSA-N 2 1 346.519 3.287 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001197300871 1368783845 /nfs/dbraw/zinc/78/38/45/1368783845.db2.gz UIKKGZBNCRDVBY-VOTSOKGWSA-N 2 1 346.519 3.287 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001197447770 1368817087 /nfs/dbraw/zinc/81/70/87/1368817087.db2.gz LJAPJBCZBSQEEF-UHFFFAOYSA-N 2 1 331.504 3.086 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[NH+](CC(CC)CC)CC1 ZINC001197478108 1368823463 /nfs/dbraw/zinc/82/34/63/1368823463.db2.gz UTWVHZXQXFXHBO-UHFFFAOYSA-N 2 1 339.568 3.469 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@H+](CC(CC)CC)CC1 ZINC001197478108 1368823469 /nfs/dbraw/zinc/82/34/69/1368823469.db2.gz UTWVHZXQXFXHBO-UHFFFAOYSA-N 2 1 339.568 3.469 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@@H+](CC(CC)CC)CC1 ZINC001197478108 1368823472 /nfs/dbraw/zinc/82/34/72/1368823472.db2.gz UTWVHZXQXFXHBO-UHFFFAOYSA-N 2 1 339.568 3.469 20 0 EGADMP CC(C)=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001112410939 1368831127 /nfs/dbraw/zinc/83/11/27/1368831127.db2.gz XYBHQPWADYYQAS-ZVDOUQERSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001112432213 1368848262 /nfs/dbraw/zinc/84/82/62/1368848262.db2.gz YZXUPSXTAYZGIJ-XQMISQMHSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC)C1 ZINC001112547104 1368923046 /nfs/dbraw/zinc/92/30/46/1368923046.db2.gz VDORRDFYHREGKM-ICSRJNTNSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001197914022 1368923873 /nfs/dbraw/zinc/92/38/73/1368923873.db2.gz JFSMMZLHHAQJJW-UHFFFAOYSA-N 2 1 345.531 3.186 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(C(C)C)cc2)CC1 ZINC001197914022 1368923877 /nfs/dbraw/zinc/92/38/77/1368923877.db2.gz JFSMMZLHHAQJJW-UHFFFAOYSA-N 2 1 345.531 3.186 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C(C)C)cc2)CC1 ZINC001197914022 1368923884 /nfs/dbraw/zinc/92/38/84/1368923884.db2.gz JFSMMZLHHAQJJW-UHFFFAOYSA-N 2 1 345.531 3.186 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)CC)C2 ZINC001112557347 1368926955 /nfs/dbraw/zinc/92/69/55/1368926955.db2.gz BLLZWWITLIFGPM-AHHPOWTJSA-N 2 1 349.563 3.293 20 0 EGADMP CC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198259975 1368992031 /nfs/dbraw/zinc/99/20/31/1368992031.db2.gz VXKCLCLWGBVINI-KKHYBRAUSA-N 2 1 343.515 3.180 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198259975 1368992033 /nfs/dbraw/zinc/99/20/33/1368992033.db2.gz VXKCLCLWGBVINI-KKHYBRAUSA-N 2 1 343.515 3.180 20 0 EGADMP CC/C=C/CC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001112855281 1369049093 /nfs/dbraw/zinc/04/90/93/1369049093.db2.gz QHPTXJFXKRNCLL-RTLBZRNLSA-N 2 1 347.547 3.142 20 0 EGADMP CC/C=C\CC[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001113050090 1369166580 /nfs/dbraw/zinc/16/65/80/1369166580.db2.gz BOHXPYNUEJAIJT-SREVYHEPSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001113050090 1369166582 /nfs/dbraw/zinc/16/65/82/1369166582.db2.gz BOHXPYNUEJAIJT-SREVYHEPSA-N 2 1 335.536 3.140 20 0 EGADMP CC[N@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001186604325 1387984082 /nfs/dbraw/zinc/98/40/82/1387984082.db2.gz CWOJKGYOQYAMHP-IBGZPJMESA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)CC1 ZINC001186605791 1387984771 /nfs/dbraw/zinc/98/47/71/1387984771.db2.gz UZEMXVCQASGLDF-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[N@H+](C)CC)CC2)CC1 ZINC001186605791 1387984775 /nfs/dbraw/zinc/98/47/75/1387984775.db2.gz UZEMXVCQASGLDF-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[N@@H+](C)CC)CC2)CC1 ZINC001186605791 1387984779 /nfs/dbraw/zinc/98/47/79/1387984779.db2.gz UZEMXVCQASGLDF-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001199784964 1369271700 /nfs/dbraw/zinc/27/17/00/1369271700.db2.gz ZHQSSQXFGLTQLZ-UHFFFAOYSA-N 2 1 326.387 3.362 20 0 EGADMP CC[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1)[NH+](CC)CC ZINC001113341071 1369359383 /nfs/dbraw/zinc/35/93/83/1369359383.db2.gz JIOGUKZCQOQTQR-ICSRJNTNSA-N 2 1 345.531 3.321 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001113353272 1369364834 /nfs/dbraw/zinc/36/48/34/1369364834.db2.gz WWPWULHKNGOJGH-SFHVURJKSA-N 2 1 345.531 3.178 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001113353272 1369364840 /nfs/dbraw/zinc/36/48/40/1369364840.db2.gz WWPWULHKNGOJGH-SFHVURJKSA-N 2 1 345.531 3.178 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001200506680 1369382808 /nfs/dbraw/zinc/38/28/08/1369382808.db2.gz GIFPEUCGDJOYPK-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC001113439473 1369429750 /nfs/dbraw/zinc/42/97/50/1369429750.db2.gz BGQHDEMWCKOPFK-UHFFFAOYSA-N 2 1 325.541 3.079 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001200893538 1369444919 /nfs/dbraw/zinc/44/49/19/1369444919.db2.gz DUYDCQVHRGNIBB-LIXSYLKWSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001200893578 1369445204 /nfs/dbraw/zinc/44/52/04/1369445204.db2.gz FJPLWCAZYACWRL-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001201229662 1369500112 /nfs/dbraw/zinc/50/01/12/1369500112.db2.gz FPTDGQMBIJOJJP-RTBURBONSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001201229711 1369500292 /nfs/dbraw/zinc/50/02/92/1369500292.db2.gz HFCORDHNRDAAAC-RTBURBONSA-N 2 1 335.536 3.164 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001201313545 1369516794 /nfs/dbraw/zinc/51/67/94/1369516794.db2.gz CXCUZXNYWAYMJX-OAHLLOKOSA-N 2 1 349.494 3.198 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001201321397 1369519036 /nfs/dbraw/zinc/51/90/36/1369519036.db2.gz JJOQVOAHUBGDSF-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC001201321531 1369519184 /nfs/dbraw/zinc/51/91/84/1369519184.db2.gz OPXSVCKNRDZEIE-FMIVXFBMSA-N 2 1 343.515 3.011 20 0 EGADMP C[NH+](C)Cc1cccc(Nc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001201397304 1369535892 /nfs/dbraw/zinc/53/58/92/1369535892.db2.gz ZIBRDMKXMUQQLU-UHFFFAOYSA-N 2 1 342.462 3.383 20 0 EGADMP Cc1cc(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1C ZINC001201954881 1369652637 /nfs/dbraw/zinc/65/26/37/1369652637.db2.gz WPPWPRXRXYMBGU-QFIPXVFZSA-N 2 1 338.495 3.468 20 0 EGADMP COC(=O)CCC[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001202264434 1369724858 /nfs/dbraw/zinc/72/48/58/1369724858.db2.gz WERDTNUSCVRUNI-UHFFFAOYSA-N 2 1 344.499 3.318 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCCC(F)(F)F)C2 ZINC001202397162 1369760036 /nfs/dbraw/zinc/76/00/36/1369760036.db2.gz YSDSGJFTPORIBC-HOTGVXAUSA-N 2 1 334.426 3.009 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCCC(F)(F)F)C2 ZINC001202397162 1369760043 /nfs/dbraw/zinc/76/00/43/1369760043.db2.gz YSDSGJFTPORIBC-HOTGVXAUSA-N 2 1 334.426 3.009 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCCC(F)(F)F)C2 ZINC001202397162 1369760045 /nfs/dbraw/zinc/76/00/45/1369760045.db2.gz YSDSGJFTPORIBC-HOTGVXAUSA-N 2 1 334.426 3.009 20 0 EGADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](CC1CCC1)CC2 ZINC001202721673 1369866026 /nfs/dbraw/zinc/86/60/26/1369866026.db2.gz HPEIRHDFALABBW-QGZVFWFLSA-N 2 1 349.544 3.246 20 0 EGADMP O=C([C@@H]1CCC[C@@H]2CCC[N@H+]21)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001202872805 1369914084 /nfs/dbraw/zinc/91/40/84/1369914084.db2.gz QFHOCGCKMOQVOC-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001202872599 1369914220 /nfs/dbraw/zinc/91/42/20/1369914220.db2.gz IUPDAKUOFZFRHO-RTBURBONSA-N 2 1 335.536 3.164 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2)C1CCC1 ZINC001203035991 1369962817 /nfs/dbraw/zinc/96/28/17/1369962817.db2.gz IRHJVWYHRUTJKO-MSOLQXFVSA-N 2 1 349.563 3.314 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC001114502037 1369977297 /nfs/dbraw/zinc/97/72/97/1369977297.db2.gz MUIWXXLESVTPPS-PIIMJCKOSA-N 2 1 349.563 3.122 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001114502037 1369977300 /nfs/dbraw/zinc/97/73/00/1369977300.db2.gz MUIWXXLESVTPPS-PIIMJCKOSA-N 2 1 349.563 3.122 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001114502037 1369977303 /nfs/dbraw/zinc/97/73/03/1369977303.db2.gz MUIWXXLESVTPPS-PIIMJCKOSA-N 2 1 349.563 3.122 20 0 EGADMP Cc1cncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001203180527 1370012888 /nfs/dbraw/zinc/01/28/88/1370012888.db2.gz MZEDHNYUDMCBDL-VQTJNVASSA-N 2 1 336.483 3.129 20 0 EGADMP CC[C@@H]([NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1)c1ccc(F)cc1 ZINC001203213885 1370026709 /nfs/dbraw/zinc/02/67/09/1370026709.db2.gz FPVDTJSZEFQUHP-LJQANCHMSA-N 2 1 349.494 3.199 20 0 EGADMP CCCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203230549 1370033054 /nfs/dbraw/zinc/03/30/54/1370033054.db2.gz NUEMSKAAJMBNOG-RBUKOAKNSA-N 2 1 349.563 3.458 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001187034272 1388043363 /nfs/dbraw/zinc/04/33/63/1388043363.db2.gz BWDUIHZZSFTYST-UXHICEINSA-N 2 1 345.531 3.306 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203507017 1370148277 /nfs/dbraw/zinc/14/82/77/1370148277.db2.gz MUOIOBCLKZOIJX-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203652547 1370202274 /nfs/dbraw/zinc/20/22/74/1370202274.db2.gz VMPOCZCWJQYDTD-RBUKOAKNSA-N 2 1 347.547 3.236 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1)c1ccccc1 ZINC001203910464 1370310945 /nfs/dbraw/zinc/31/09/45/1370310945.db2.gz KHWAUXBXSGFASJ-IBGZPJMESA-N 2 1 345.531 3.306 20 0 EGADMP CCCCC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203919706 1370315127 /nfs/dbraw/zinc/31/51/27/1370315127.db2.gz XNKNKSKSILRZQL-IBGZPJMESA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH2+]CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001203932276 1370318842 /nfs/dbraw/zinc/31/88/42/1370318842.db2.gz BBKUHDZEIJSBJN-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(=O)Oc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001203949349 1370326566 /nfs/dbraw/zinc/32/65/66/1370326566.db2.gz MJNWEKQVSXXCJK-LJQANCHMSA-N 2 1 330.472 3.452 20 0 EGADMP CC(=O)Oc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001203949349 1370326570 /nfs/dbraw/zinc/32/65/70/1370326570.db2.gz MJNWEKQVSXXCJK-LJQANCHMSA-N 2 1 330.472 3.452 20 0 EGADMP COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001204148813 1370390265 /nfs/dbraw/zinc/39/02/65/1370390265.db2.gz LCHDVKIKXJPVKN-IBGZPJMESA-N 2 1 330.472 3.314 20 0 EGADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001204148813 1370390270 /nfs/dbraw/zinc/39/02/70/1370390270.db2.gz LCHDVKIKXJPVKN-IBGZPJMESA-N 2 1 330.472 3.314 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CC[C@@]1(C)O ZINC001204263111 1370424949 /nfs/dbraw/zinc/42/49/49/1370424949.db2.gz GRMALGYSFQYHBO-FXAWDEMLSA-N 2 1 334.504 3.000 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)cc1 ZINC001204263058 1370425534 /nfs/dbraw/zinc/42/55/34/1370425534.db2.gz FJSCARADHYLTHI-AEFFLSMTSA-N 2 1 338.442 3.494 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)cc1 ZINC001204265000 1370426246 /nfs/dbraw/zinc/42/62/46/1370426246.db2.gz ZXMRMFDMJDFFNF-AZUAARDMSA-N 2 1 332.488 3.018 20 0 EGADMP Cc1nc2c(s1)C[N@H+](Cc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC001204267020 1370427150 /nfs/dbraw/zinc/42/71/50/1370427150.db2.gz CSLCLWZTHONJMF-UHFFFAOYSA-N 2 1 345.512 3.340 20 0 EGADMP Cc1nc2c(s1)C[N@@H+](Cc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC001204267020 1370427153 /nfs/dbraw/zinc/42/71/53/1370427153.db2.gz CSLCLWZTHONJMF-UHFFFAOYSA-N 2 1 345.512 3.340 20 0 EGADMP CC(C)[N@@H+](Cc1ccc(OCCC[NH+](C)C)cc1)C1CCN(C)CC1 ZINC001204271337 1370427960 /nfs/dbraw/zinc/42/79/60/1370427960.db2.gz IZJWGWQGUXECKF-UHFFFAOYSA-N 2 1 347.547 3.322 20 0 EGADMP CC[N@@H+](Cc1ccc(OCCC[NH+](C)C)cc1)Cc1ccccn1 ZINC001204270007 1370428488 /nfs/dbraw/zinc/42/84/88/1370428488.db2.gz MVTFKRALQHIBHO-UHFFFAOYSA-N 2 1 327.472 3.434 20 0 EGADMP CCCOc1ccc(C[NH+]2CCN(CCC[NH+](CC)CC)CC2)cc1 ZINC001204307806 1370439153 /nfs/dbraw/zinc/43/91/53/1370439153.db2.gz KYLHQKUHZKHIMD-UHFFFAOYSA-N 2 1 347.547 3.325 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1([NH2+]CC(C)C)CCCCC1 ZINC001115544941 1370541995 /nfs/dbraw/zinc/54/19/95/1370541995.db2.gz JCUKMHKTXLJPSC-QGZVFWFLSA-N 2 1 348.535 3.461 20 0 EGADMP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CCCCC1 ZINC001115563454 1370563000 /nfs/dbraw/zinc/56/30/00/1370563000.db2.gz VWOFXUYVRNABGG-GOSISDBHSA-N 2 1 337.552 3.460 20 0 EGADMP [NH3+]CC[C@@H]1C[N@H+](Cc2ccccc2-c2ccc(F)cc2F)CCO1 ZINC001204756036 1370567877 /nfs/dbraw/zinc/56/78/77/1370567877.db2.gz KBACBBQBZBRGDS-MRXNPFEDSA-N 2 1 332.394 3.181 20 0 EGADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccccc2-c2ccc(F)cc2F)CCO1 ZINC001204756036 1370567882 /nfs/dbraw/zinc/56/78/82/1370567882.db2.gz KBACBBQBZBRGDS-MRXNPFEDSA-N 2 1 332.394 3.181 20 0 EGADMP C[N@@H+](CC(=O)NCC1([NH2+]Cc2ccsc2)CCCCC1)C1CCC1 ZINC001115574899 1370578064 /nfs/dbraw/zinc/57/80/64/1370578064.db2.gz WSIFVNZNJGDGLY-UHFFFAOYSA-N 2 1 349.544 3.141 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115579517 1370582929 /nfs/dbraw/zinc/58/29/29/1370582929.db2.gz SFKLEWUXCTWUHO-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP O=C1CC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)[C@H]2CCCC[C@@H]12 ZINC001204847961 1370589163 /nfs/dbraw/zinc/58/91/63/1370589163.db2.gz ISXDRROPPDLVTH-MOPGFXCFSA-N 2 1 337.467 3.078 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCCC1 ZINC001115592173 1370593424 /nfs/dbraw/zinc/59/34/24/1370593424.db2.gz XEQGCSFTSANJLM-OALUTQOASA-N 2 1 347.547 3.378 20 0 EGADMP CC[N@@H+](C[C@@H]1[C@H](C)CNCC1(F)F)[C@H](C)Cc1ccc(OC)cc1 ZINC001204870655 1370593700 /nfs/dbraw/zinc/59/37/00/1370593700.db2.gz ZGEKHLPDGXSMFD-IIDMSEBBSA-N 2 1 340.458 3.439 20 0 EGADMP CC[N@H+](C[C@@H]1[C@H](C)C[NH2+]CC1(F)F)[C@H](C)Cc1ccc(OC)cc1 ZINC001204870655 1370593705 /nfs/dbraw/zinc/59/37/05/1370593705.db2.gz ZGEKHLPDGXSMFD-IIDMSEBBSA-N 2 1 340.458 3.439 20 0 EGADMP CC[N@@H+](C[C@@H]1[C@H](C)C[NH2+]CC1(F)F)[C@H](C)Cc1ccc(OC)cc1 ZINC001204870655 1370593710 /nfs/dbraw/zinc/59/37/10/1370593710.db2.gz ZGEKHLPDGXSMFD-IIDMSEBBSA-N 2 1 340.458 3.439 20 0 EGADMP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001204897359 1370599989 /nfs/dbraw/zinc/59/99/89/1370599989.db2.gz YEGBFIBYFMOHSF-QGZVFWFLSA-N 2 1 345.506 3.112 20 0 EGADMP CCCCC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)CC)CCCCC1 ZINC001115601566 1370601118 /nfs/dbraw/zinc/60/11/18/1370601118.db2.gz HDZUADWDFQOQAY-UHFFFAOYSA-N 2 1 325.541 3.316 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]C[C@@H](C)CC(C)C)CCCCC1 ZINC001115630484 1370623742 /nfs/dbraw/zinc/62/37/42/1370623742.db2.gz PANSEJRCLQWION-KRWDZBQOSA-N 2 1 348.535 3.282 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC)c3ccc(OC)cc23)C1 ZINC001205018072 1370629788 /nfs/dbraw/zinc/62/97/88/1370629788.db2.gz RNEMAOJFGQCFLG-OAHLLOKOSA-N 2 1 328.456 3.288 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c3ccc(OC)cc23)C1 ZINC001205018071 1370630167 /nfs/dbraw/zinc/63/01/67/1370630167.db2.gz RNEMAOJFGQCFLG-HNNXBMFYSA-N 2 1 328.456 3.288 20 0 EGADMP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[C@H]([NH3+])CC3)o2)cc1 ZINC001205101797 1370649441 /nfs/dbraw/zinc/64/94/41/1370649441.db2.gz LVNRCEIRENLMGO-KRWDZBQOSA-N 2 1 342.439 3.437 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCCCC1 ZINC001115688361 1370671660 /nfs/dbraw/zinc/67/16/60/1370671660.db2.gz ZBQFLPWGXXIHDA-GOSISDBHSA-N 2 1 337.552 3.317 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cccc(C(F)(F)F)c2Cl)CC1 ZINC001205208118 1370680060 /nfs/dbraw/zinc/68/00/60/1370680060.db2.gz AJCGJFGFINPANF-AWEZNQCLSA-N 2 1 336.785 3.035 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cccc(C(F)(F)F)c2Cl)CC1 ZINC001205208121 1370680240 /nfs/dbraw/zinc/68/02/40/1370680240.db2.gz AJCGJFGFINPANF-CQSZACIVSA-N 2 1 336.785 3.035 20 0 EGADMP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205242397 1370692937 /nfs/dbraw/zinc/69/29/37/1370692937.db2.gz OGJZYSINQAXTHR-PXDRNWIDSA-N 2 1 349.563 3.434 20 0 EGADMP C[NH+](C)CCCOc1ccc(-c2ccc([C@H]3CC[N@@H+](C)C3)cc2)cn1 ZINC001205261932 1370698694 /nfs/dbraw/zinc/69/86/94/1370698694.db2.gz UASZIXKEDRQVON-FQEVSTJZSA-N 2 1 339.483 3.498 20 0 EGADMP COc1ccc(-c2cccc(C[N@H+]3CCC[C@](C)([NH3+])CC3)n2)cc1 ZINC001205273692 1370703364 /nfs/dbraw/zinc/70/33/64/1370703364.db2.gz OSFORJSIFGLGFY-FQEVSTJZSA-N 2 1 325.456 3.461 20 0 EGADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(OCc3ccccc3)nc2)CC1 ZINC001205281321 1370705106 /nfs/dbraw/zinc/70/51/06/1370705106.db2.gz SGOUPBYVJYJXIW-FQEVSTJZSA-N 2 1 325.456 3.364 20 0 EGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)CC1 ZINC001205281321 1370705109 /nfs/dbraw/zinc/70/51/09/1370705109.db2.gz SGOUPBYVJYJXIW-FQEVSTJZSA-N 2 1 325.456 3.364 20 0 EGADMP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205285659 1370706893 /nfs/dbraw/zinc/70/68/93/1370706893.db2.gz ZXYHXRXZWUDUTA-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CC1 ZINC001205296894 1370711379 /nfs/dbraw/zinc/71/13/79/1370711379.db2.gz WERJBOHXYNDSKV-HNNXBMFYSA-N 2 1 326.366 3.285 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115729952 1370711966 /nfs/dbraw/zinc/71/19/66/1370711966.db2.gz YWWCUJFUDOUQKX-SFHVURJKSA-N 2 1 349.563 3.460 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC1CCCC1 ZINC001205303444 1370713505 /nfs/dbraw/zinc/71/35/05/1370713505.db2.gz FSKXOBMBYQZFEG-DOTOQJQBSA-N 2 1 332.488 3.433 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2c[nH]c3cccc(Br)c23)C[C@H]1C[NH3+] ZINC001205303279 1370713553 /nfs/dbraw/zinc/71/35/53/1370713553.db2.gz BWPMIRMXYYPKIV-VXGBXAGGSA-N 2 1 336.277 3.347 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cccc(Br)c23)C[C@H]1C[NH3+] ZINC001205303279 1370713557 /nfs/dbraw/zinc/71/35/57/1370713557.db2.gz BWPMIRMXYYPKIV-VXGBXAGGSA-N 2 1 336.277 3.347 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc(C)c1Br ZINC001205304333 1370713578 /nfs/dbraw/zinc/71/35/78/1370713578.db2.gz NWGXVTBNSCVPCJ-IAQYHMDHSA-N 2 1 325.294 3.483 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc(C)c1Br ZINC001205304333 1370713580 /nfs/dbraw/zinc/71/35/80/1370713580.db2.gz NWGXVTBNSCVPCJ-IAQYHMDHSA-N 2 1 325.294 3.483 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001187291388 1388089829 /nfs/dbraw/zinc/08/98/29/1388089829.db2.gz QDERSBOXCQZQIM-LJQANCHMSA-N 2 1 345.531 3.016 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]CCC3CCCC3)CC2)CC[N@H+]1C ZINC001205340103 1370725934 /nfs/dbraw/zinc/72/59/34/1370725934.db2.gz RRMIYXMBGCQDQD-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC(C[NH2+]CCC(C)C)CC1 ZINC001205340062 1370726264 /nfs/dbraw/zinc/72/62/64/1370726264.db2.gz QKOMYNCYIDCQSX-KRWDZBQOSA-N 2 1 348.535 3.271 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]CCCC3CCC3)CC2)CC[N@H+]1C ZINC001205340297 1370726854 /nfs/dbraw/zinc/72/68/54/1370726854.db2.gz VTHFVOVBEJGOBR-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCCF)CCCCC1 ZINC001115760278 1370744610 /nfs/dbraw/zinc/74/46/10/1370744610.db2.gz KPDLLDSAWIJDSB-KRWDZBQOSA-N 2 1 341.515 3.018 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001115768909 1370753228 /nfs/dbraw/zinc/75/32/28/1370753228.db2.gz MMWDXPUKKKWASC-ZWKOTPCHSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001115768949 1370753531 /nfs/dbraw/zinc/75/35/31/1370753531.db2.gz OHMZWPQXYLBEME-RBUKOAKNSA-N 2 1 347.547 3.378 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc(C(F)(F)F)c1 ZINC001205570099 1370795610 /nfs/dbraw/zinc/79/56/10/1370795610.db2.gz FUTSYPNOMSUYSK-OAHLLOKOSA-N 2 1 334.357 3.367 20 0 EGADMP Cc1cccc(Br)c1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205592574 1370803877 /nfs/dbraw/zinc/80/38/77/1370803877.db2.gz WOLDOBFFUCDFPB-HNNXBMFYSA-N 2 1 329.257 3.410 20 0 EGADMP COc1cc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c(F)c(F)c1Cl ZINC001205592003 1370804061 /nfs/dbraw/zinc/80/40/61/1370804061.db2.gz PUGYZXOSQSSCQP-OAHLLOKOSA-N 2 1 336.785 3.280 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(F)c(F)c1Cl ZINC001205592003 1370804064 /nfs/dbraw/zinc/80/40/64/1370804064.db2.gz PUGYZXOSQSSCQP-OAHLLOKOSA-N 2 1 336.785 3.280 20 0 EGADMP C[C@@H]1CC[N@@H+](CCc2cccc(Br)c2)CC[C@@H]1C[NH3+] ZINC001205601637 1370806215 /nfs/dbraw/zinc/80/62/15/1370806215.db2.gz FMFRUGFSEFNTDB-UKRRQHHQSA-N 2 1 325.294 3.298 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205602242 1370806932 /nfs/dbraw/zinc/80/69/32/1370806932.db2.gz HVVMSLPBXNLJCZ-QFBILLFUSA-N 2 1 332.488 3.103 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)no2)cc1 ZINC001205602625 1370807626 /nfs/dbraw/zinc/80/76/26/1370807626.db2.gz KPBYZUYXHJSIPO-GOEBONIOSA-N 2 1 329.444 3.157 20 0 EGADMP COc1ccc(-c2cc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)no2)cc1 ZINC001205602626 1370807932 /nfs/dbraw/zinc/80/79/32/1370807932.db2.gz KPBYZUYXHJSIPO-HOCLYGCPSA-N 2 1 329.444 3.157 20 0 EGADMP CCOC(=O)c1[nH]c2ccccc2c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205617760 1370813155 /nfs/dbraw/zinc/81/31/55/1370813155.db2.gz NEKLTTRBMSPJLH-HUUCEWRRSA-N 2 1 343.471 3.151 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2c(Br)ccnc2Cl)CC[C@H]1C[NH3+] ZINC001205639253 1370822491 /nfs/dbraw/zinc/82/24/91/1370822491.db2.gz YBHAPGITXNZPLO-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP COc1cc(Cl)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(OC)c1 ZINC001205639470 1370823099 /nfs/dbraw/zinc/82/30/99/1370823099.db2.gz ZGQHMVBNGQXOQE-CHWSQXEVSA-N 2 1 326.868 3.164 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001205735582 1370855490 /nfs/dbraw/zinc/85/54/90/1370855490.db2.gz OIZGGGIQCPIXAF-LJQANCHMSA-N 2 1 345.874 3.078 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2ccc(Br)cc2[nH]1 ZINC001205902280 1370905011 /nfs/dbraw/zinc/90/50/11/1370905011.db2.gz JMSILPDTILNFLZ-DGCLKSJQSA-N 2 1 336.277 3.490 20 0 EGADMP Oc1cccc2c1CC[N@@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)C2 ZINC001205924403 1370913287 /nfs/dbraw/zinc/91/32/87/1370913287.db2.gz SIMUOUSYPGMAAJ-UHFFFAOYSA-N 2 1 333.435 3.008 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001116507718 1370926516 /nfs/dbraw/zinc/92/65/16/1370926516.db2.gz RSLMWRABMYOMDB-QXSJWSMHSA-N 2 1 346.462 3.206 20 0 EGADMP C[C@@H]1C[N@@H+](CCc2ccccc2Br)CCC[C@H]1C[NH3+] ZINC001205981901 1370929525 /nfs/dbraw/zinc/92/95/25/1370929525.db2.gz IVGQUNQKLFZKIM-HIFRSBDPSA-N 2 1 325.294 3.298 20 0 EGADMP COc1ccc(Br)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001205996018 1370933424 /nfs/dbraw/zinc/93/34/24/1370933424.db2.gz TVSLJSAUBKLGFN-STQMWFEESA-N 2 1 341.293 3.265 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)ncc2Br)CCC[C@H]1C[NH3+] ZINC001206003615 1370935284 /nfs/dbraw/zinc/93/52/84/1370935284.db2.gz KGSZMVVMHSIFOO-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cnc(Cl)cc2Br)CCC[C@H]1C[NH3+] ZINC001206013202 1370938114 /nfs/dbraw/zinc/93/81/14/1370938114.db2.gz QGGHTQUXMNRAMF-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cnc(Cl)cc2Br)CCC[C@H]1C[NH3+] ZINC001206013202 1370938119 /nfs/dbraw/zinc/93/81/19/1370938119.db2.gz QGGHTQUXMNRAMF-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206027301 1370942010 /nfs/dbraw/zinc/94/20/10/1370942010.db2.gz VUWJIZUTDMVLED-LSDHHAIUSA-N 2 1 332.879 3.333 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccnc(Br)c2Cl)CCC[C@H]1C[NH3+] ZINC001206036477 1370944925 /nfs/dbraw/zinc/94/49/25/1370944925.db2.gz JYXLMMIZFVRKPX-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccnc(Br)c2Cl)CCC[C@H]1C[NH3+] ZINC001206036477 1370944926 /nfs/dbraw/zinc/94/49/26/1370944926.db2.gz JYXLMMIZFVRKPX-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1OC(F)(F)F ZINC001206037366 1370945992 /nfs/dbraw/zinc/94/59/92/1370945992.db2.gz VEAJHXABDNJPMV-OCCSQVGLSA-N 2 1 346.393 3.401 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)CC[C@@H]1F ZINC001206174852 1370980825 /nfs/dbraw/zinc/98/08/25/1370980825.db2.gz PVRDINOWMSIFEV-LSDHHAIUSA-N 2 1 334.826 3.058 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)CC[C@@H]1F ZINC001206183113 1370985155 /nfs/dbraw/zinc/98/51/55/1370985155.db2.gz FTUJGSDBFONEOA-QWHCGFSZSA-N 2 1 338.320 3.185 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]CCC3CCCCC3)CC2)C1 ZINC001206274465 1371009578 /nfs/dbraw/zinc/00/95/78/1371009578.db2.gz IFMHSNZYAOXANQ-SFHVURJKSA-N 2 1 349.563 3.127 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001206300895 1371015058 /nfs/dbraw/zinc/01/50/58/1371015058.db2.gz GBDGNDMPYHELOM-BQYQJAHWSA-N 2 1 337.552 3.149 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(Cl)c1OC ZINC001206304246 1371016166 /nfs/dbraw/zinc/01/61/66/1371016166.db2.gz IFQYESJBCZUSCS-KRWDZBQOSA-N 2 1 326.868 3.308 20 0 EGADMP CCOC(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206327073 1371023119 /nfs/dbraw/zinc/02/31/19/1371023119.db2.gz RYTVJALMALPAKU-SFHVURJKSA-N 2 1 338.879 3.468 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)CC1 ZINC001206334930 1371026062 /nfs/dbraw/zinc/02/60/62/1371026062.db2.gz AYIBJPCUSWIBHX-HNNXBMFYSA-N 2 1 342.274 3.167 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(Br)n1 ZINC001206336267 1371026955 /nfs/dbraw/zinc/02/69/55/1371026955.db2.gz KMPPUFFZFYCEKZ-OAHLLOKOSA-N 2 1 326.282 3.103 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001206445185 1371057212 /nfs/dbraw/zinc/05/72/12/1371057212.db2.gz MIECPDBQBWXXKR-UHFFFAOYSA-N 2 1 348.535 3.415 20 0 EGADMP C[C@]1(C[NH3+])CCCC[N@H+](CCc2ccccc2Br)C1 ZINC001206542222 1371087762 /nfs/dbraw/zinc/08/77/62/1371087762.db2.gz VMWFQFVCHYDJAL-MRXNPFEDSA-N 2 1 325.294 3.443 20 0 EGADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCc2ccccc2Br)C1 ZINC001206542222 1371087766 /nfs/dbraw/zinc/08/77/66/1371087766.db2.gz VMWFQFVCHYDJAL-MRXNPFEDSA-N 2 1 325.294 3.443 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1OCC1CC1 ZINC001206556278 1371091958 /nfs/dbraw/zinc/09/19/58/1371091958.db2.gz QDXSQWAPSMOANV-FQEVSTJZSA-N 2 1 332.488 3.435 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@@H+](CCCc2ccc(Br)cc2)C1 ZINC001206606460 1371107811 /nfs/dbraw/zinc/10/78/11/1371107811.db2.gz NPRSIASWXWAZDF-OAHLLOKOSA-N 2 1 325.294 3.443 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(OCc3ccccc3)cn2)C1 ZINC001206646682 1371118324 /nfs/dbraw/zinc/11/83/24/1371118324.db2.gz DCFXQLFAMMTVGS-SFHVURJKSA-N 2 1 325.456 3.221 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(OCc3ccccc3)cn2)C1 ZINC001206646682 1371118328 /nfs/dbraw/zinc/11/83/28/1371118328.db2.gz DCFXQLFAMMTVGS-SFHVURJKSA-N 2 1 325.456 3.221 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)ccc1OC(F)(F)F ZINC001206649763 1371119675 /nfs/dbraw/zinc/11/96/75/1371119675.db2.gz YQJJARUCFUVXBS-ZDUSSCGKSA-N 2 1 332.366 3.155 20 0 EGADMP F[C@H]1C[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)CCCC1(F)F ZINC001206744104 1371151996 /nfs/dbraw/zinc/15/19/96/1371151996.db2.gz GCHHYXITGICVBK-INIZCTEOSA-N 2 1 337.389 3.314 20 0 EGADMP F[C@H]1C[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)CCCC1(F)F ZINC001206744104 1371151999 /nfs/dbraw/zinc/15/19/99/1371151999.db2.gz GCHHYXITGICVBK-INIZCTEOSA-N 2 1 337.389 3.314 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc2cc(Br)ccc2[nH]1 ZINC001206768743 1371158438 /nfs/dbraw/zinc/15/84/38/1371158438.db2.gz LWJXNMQNOJQNMQ-RYUDHWBXSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Br)ccc1N(C)C ZINC001206809605 1371176271 /nfs/dbraw/zinc/17/62/71/1371176271.db2.gz LZIQDWNENFSDMG-OLZOCXBDSA-N 2 1 340.309 3.074 20 0 EGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(Br)ccc1N(C)C ZINC001206809605 1371176273 /nfs/dbraw/zinc/17/62/73/1371176273.db2.gz LZIQDWNENFSDMG-OLZOCXBDSA-N 2 1 340.309 3.074 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001206889350 1371208508 /nfs/dbraw/zinc/20/85/08/1371208508.db2.gz NOUVCCKVJYFSPE-GOSISDBHSA-N 2 1 345.531 3.308 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001206952284 1371243088 /nfs/dbraw/zinc/24/30/88/1371243088.db2.gz IAKHIQNKIDNIFB-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953298 1371243747 /nfs/dbraw/zinc/24/37/47/1371243747.db2.gz AJYLPAGRFMMFNE-XLIONFOSSA-N 2 1 345.531 3.164 20 0 EGADMP CC[C@H]([NH2+]CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC001206954404 1371244917 /nfs/dbraw/zinc/24/49/17/1371244917.db2.gz ICBOXDLKSLWCRQ-FQEVSTJZSA-N 2 1 345.531 3.306 20 0 EGADMP CN(Cc1[nH+]cc2ccccn21)C1CC[NH+](Cc2ccccc2)CC1 ZINC001207049389 1371278018 /nfs/dbraw/zinc/27/80/18/1371278018.db2.gz SOKODECSSCMRDI-UHFFFAOYSA-N 2 1 334.467 3.431 20 0 EGADMP COC(=O)[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)[C@@H](c2ccccc2)C1 ZINC001207288252 1371351893 /nfs/dbraw/zinc/35/18/93/1371351893.db2.gz LRASNZNOMHCVEW-QZTJIDSGSA-N 2 1 332.488 3.201 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)[C@@H](c2ccccc2)C1 ZINC001207288252 1371351897 /nfs/dbraw/zinc/35/18/97/1371351897.db2.gz LRASNZNOMHCVEW-QZTJIDSGSA-N 2 1 332.488 3.201 20 0 EGADMP CCN(CC)[C@@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207290771 1371352781 /nfs/dbraw/zinc/35/27/81/1371352781.db2.gz CDRVDPQNLJAZEF-OAQYLSRUSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+](CC)[C@@H]1CCN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207290771 1371352786 /nfs/dbraw/zinc/35/27/86/1371352786.db2.gz CDRVDPQNLJAZEF-OAQYLSRUSA-N 2 1 329.532 3.315 20 0 EGADMP COC(=O)[C@@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207295628 1371354449 /nfs/dbraw/zinc/35/44/49/1371354449.db2.gz WXXOWGDPBLUYIK-HXUWFJFHSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)c1ccc([C@H]2CCCC[N@H+]2CC2CC[NH+](C)CC2)cc1 ZINC001207400701 1371385267 /nfs/dbraw/zinc/38/52/67/1371385267.db2.gz AZFMNPOXBXWSQH-LJQANCHMSA-N 2 1 330.472 3.342 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207486897 1371410688 /nfs/dbraw/zinc/41/06/88/1371410688.db2.gz OSYMWJUHCYFJHZ-RDJZCZTQSA-N 2 1 339.524 3.096 20 0 EGADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2CCC2CC[NH+](C)CC2)c1 ZINC001207488881 1371411590 /nfs/dbraw/zinc/41/15/90/1371411590.db2.gz RJUWZYSMUOGQJK-LJQANCHMSA-N 2 1 330.472 3.342 20 0 EGADMP CN(C[C@H]1CCC[N@H+]1CCC1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC001207489255 1371412083 /nfs/dbraw/zinc/41/20/83/1371412083.db2.gz XAPSNDBWHTTYRG-QGZVFWFLSA-N 2 1 339.524 3.050 20 0 EGADMP Brc1cccc(CC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001207503914 1371418378 /nfs/dbraw/zinc/41/83/78/1371418378.db2.gz RLEPRPQOFBWMPV-UHFFFAOYSA-N 2 1 346.272 3.209 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3N3CCCC3)C[C@@H]2C1 ZINC001119987920 1371443026 /nfs/dbraw/zinc/44/30/26/1371443026.db2.gz CNMALJMTWYPXEU-YSIASYRMSA-N 2 1 327.516 3.449 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682216 1371474122 /nfs/dbraw/zinc/47/41/22/1371474122.db2.gz GEJVPPVBLJGXBO-CQQBRXBZSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120129439 1371491933 /nfs/dbraw/zinc/49/19/33/1371491933.db2.gz HSEGPZZXGDKUPO-QWNKOJSDSA-N 2 1 335.536 3.093 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120130066 1371492301 /nfs/dbraw/zinc/49/23/01/1371492301.db2.gz UECUIBDTMIERNO-QZTJIDSGSA-N 2 1 337.552 3.029 20 0 EGADMP Clc1ccc(-c2noc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)n2)cc1 ZINC001326278439 1388140234 /nfs/dbraw/zinc/14/02/34/1388140234.db2.gz VSESIYUNRZCHBB-UHFFFAOYSA-N 2 1 346.862 3.356 20 0 EGADMP CCC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CCCCC1 ZINC001120213273 1371506304 /nfs/dbraw/zinc/50/63/04/1371506304.db2.gz HTJJLLXAKDWLIS-SFHVURJKSA-N 2 1 331.504 3.108 20 0 EGADMP Cc1ccc(-c2cnn(C[N@@H+]3C[C@@H]4CC[C@H]([NH+](C)C)C[C@H]4C3)c2)cc1 ZINC001120255244 1371516292 /nfs/dbraw/zinc/51/62/92/1371516292.db2.gz BVEVVCQPDBYEDW-ZJOUEHCJSA-N 2 1 338.499 3.478 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CCCO3)C[C@H]21 ZINC001207852029 1371519920 /nfs/dbraw/zinc/51/99/20/1371519920.db2.gz BZQQBTISJPJUKJ-UKBAYJJMSA-N 2 1 334.529 3.459 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCO3)C[C@H]21 ZINC001207852029 1371519926 /nfs/dbraw/zinc/51/99/26/1371519926.db2.gz BZQQBTISJPJUKJ-UKBAYJJMSA-N 2 1 334.529 3.459 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCO3)C[C@H]21 ZINC001207852029 1371519933 /nfs/dbraw/zinc/51/99/33/1371519933.db2.gz BZQQBTISJPJUKJ-UKBAYJJMSA-N 2 1 334.529 3.459 20 0 EGADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+](C)CCN2CC[NH+](C)CC2)cc1 ZINC001207936229 1371543205 /nfs/dbraw/zinc/54/32/05/1371543205.db2.gz CXNXVEUCLIBOPP-LJQANCHMSA-N 2 1 331.548 3.168 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001120391782 1371558249 /nfs/dbraw/zinc/55/82/49/1371558249.db2.gz GYDBSWPVELSTPF-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001120391782 1371558251 /nfs/dbraw/zinc/55/82/51/1371558251.db2.gz GYDBSWPVELSTPF-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001120391782 1371558253 /nfs/dbraw/zinc/55/82/53/1371558253.db2.gz GYDBSWPVELSTPF-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001207988749 1371560849 /nfs/dbraw/zinc/56/08/49/1371560849.db2.gz UKEVBCWRTCEVET-CRAIPNDOSA-N 2 1 342.487 3.211 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208014846 1371569353 /nfs/dbraw/zinc/56/93/53/1371569353.db2.gz UHASKLWJFCJUDC-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC2CCCC2)C1 ZINC001120422311 1371569726 /nfs/dbraw/zinc/56/97/26/1371569726.db2.gz LHWFSCZYUUSBMZ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP c1cnn(CCC[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001208086416 1371591933 /nfs/dbraw/zinc/59/19/33/1371591933.db2.gz MHOUKJSTTRPQBY-LEWJYISDSA-N 2 1 338.499 3.117 20 0 EGADMP c1cnn(CCC[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001208086416 1371591935 /nfs/dbraw/zinc/59/19/35/1371591935.db2.gz MHOUKJSTTRPQBY-LEWJYISDSA-N 2 1 338.499 3.117 20 0 EGADMP c1cnn(CCC[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001208086416 1371591937 /nfs/dbraw/zinc/59/19/37/1371591937.db2.gz MHOUKJSTTRPQBY-LEWJYISDSA-N 2 1 338.499 3.117 20 0 EGADMP C[C@@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001208113285 1371599201 /nfs/dbraw/zinc/59/92/01/1371599201.db2.gz GWRUZUSYPQJYHN-IYBDPMFKSA-N 2 1 339.524 3.048 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC001120559861 1371610568 /nfs/dbraw/zinc/61/05/68/1371610568.db2.gz YDPNLBVBEFZQGM-HXUWFJFHSA-N 2 1 335.451 3.264 20 0 EGADMP C[NH+](C)CC1(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CCCC1 ZINC001208185409 1371626776 /nfs/dbraw/zinc/62/67/76/1371626776.db2.gz CZACVMXJLLOYBM-LEWJYISDSA-N 2 1 341.543 3.315 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208331405 1371720197 /nfs/dbraw/zinc/72/01/97/1371720197.db2.gz RPRJCDVSVDFGMW-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208330953 1371720208 /nfs/dbraw/zinc/72/02/08/1371720208.db2.gz IDZKILKMQOKXPJ-PEPAHJGKSA-N 2 1 347.547 3.330 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001208331058 1371720479 /nfs/dbraw/zinc/72/04/79/1371720479.db2.gz KDEQJHYOPFFFFM-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001208396091 1371753186 /nfs/dbraw/zinc/75/31/86/1371753186.db2.gz NOUFMVZOBZRUNT-FBYXPACISA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001208396091 1371753187 /nfs/dbraw/zinc/75/31/87/1371753187.db2.gz NOUFMVZOBZRUNT-FBYXPACISA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001208396091 1371753188 /nfs/dbraw/zinc/75/31/88/1371753188.db2.gz NOUFMVZOBZRUNT-FBYXPACISA-N 2 1 349.563 3.291 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001208423087 1371762718 /nfs/dbraw/zinc/76/27/18/1371762718.db2.gz DWBYVSOAOVBZIZ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2ccc(C(=O)OC)cc2)CC1 ZINC001208604342 1371837459 /nfs/dbraw/zinc/83/74/59/1371837459.db2.gz MHHLUWZSDARRBK-LJQANCHMSA-N 2 1 330.472 3.342 20 0 EGADMP C[N@H+]1CCC[C@H](CN2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616292 1371842867 /nfs/dbraw/zinc/84/28/67/1371842867.db2.gz ZYCHRPKGGDGWBI-BDTNDASRSA-N 2 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC[C@H](CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616292 1371842872 /nfs/dbraw/zinc/84/28/72/1371842872.db2.gz ZYCHRPKGGDGWBI-BDTNDASRSA-N 2 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC[C@H](CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616292 1371842876 /nfs/dbraw/zinc/84/28/76/1371842876.db2.gz ZYCHRPKGGDGWBI-BDTNDASRSA-N 2 1 341.543 3.172 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616292 1371842880 /nfs/dbraw/zinc/84/28/80/1371842880.db2.gz ZYCHRPKGGDGWBI-BDTNDASRSA-N 3 1 341.543 3.172 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616292 1371842887 /nfs/dbraw/zinc/84/28/87/1371842887.db2.gz ZYCHRPKGGDGWBI-BDTNDASRSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616292 1371842890 /nfs/dbraw/zinc/84/28/90/1371842890.db2.gz ZYCHRPKGGDGWBI-BDTNDASRSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616292 1371842895 /nfs/dbraw/zinc/84/28/95/1371842895.db2.gz ZYCHRPKGGDGWBI-BDTNDASRSA-N 3 1 341.543 3.172 20 0 EGADMP CN1CCC[C@H](C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616292 1371842899 /nfs/dbraw/zinc/84/28/99/1371842899.db2.gz ZYCHRPKGGDGWBI-BDTNDASRSA-N 2 1 341.543 3.172 20 0 EGADMP CN1CCC[C@H](C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616292 1371842904 /nfs/dbraw/zinc/84/29/04/1371842904.db2.gz ZYCHRPKGGDGWBI-BDTNDASRSA-N 2 1 341.543 3.172 20 0 EGADMP CN1CCC[C@H](C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616292 1371842909 /nfs/dbraw/zinc/84/29/09/1371842909.db2.gz ZYCHRPKGGDGWBI-BDTNDASRSA-N 2 1 341.543 3.172 20 0 EGADMP CN1CCC[C@H](C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616292 1371842915 /nfs/dbraw/zinc/84/29/15/1371842915.db2.gz ZYCHRPKGGDGWBI-BDTNDASRSA-N 2 1 341.543 3.172 20 0 EGADMP C[C@H](c1ccccc1)N(C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001208617972 1371843294 /nfs/dbraw/zinc/84/32/94/1371843294.db2.gz QTADEFLHNACPJU-WOIUINJBSA-N 2 1 341.543 3.486 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccc(C(C)(C)C)cc3)CC2)C1 ZINC001208617908 1371843456 /nfs/dbraw/zinc/84/34/56/1371843456.db2.gz QNLJWOMJIYKROH-SFHVURJKSA-N 2 1 329.532 3.448 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccc(C(C)(C)C)cc3)CC2)C1 ZINC001208617908 1371843458 /nfs/dbraw/zinc/84/34/58/1371843458.db2.gz QNLJWOMJIYKROH-SFHVURJKSA-N 2 1 329.532 3.448 20 0 EGADMP C[N@H+]1CCC[C@@H](CN2CC[NH+]([C@H]3CCCc4ccccc43)CC2)C1 ZINC001208618088 1371843832 /nfs/dbraw/zinc/84/38/32/1371843832.db2.gz RQVOGDQXGXKEEP-NQIIRXRSSA-N 2 1 327.516 3.023 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001208735991 1371879360 /nfs/dbraw/zinc/87/93/60/1371879360.db2.gz VCVKDBMTHNPBEP-HKBOAZHASA-N 2 1 344.547 3.494 20 0 EGADMP CC(C)CCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001208735991 1371879363 /nfs/dbraw/zinc/87/93/63/1371879363.db2.gz VCVKDBMTHNPBEP-HKBOAZHASA-N 2 1 344.547 3.494 20 0 EGADMP CC(C)CCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001208735991 1371879365 /nfs/dbraw/zinc/87/93/65/1371879365.db2.gz VCVKDBMTHNPBEP-HKBOAZHASA-N 2 1 344.547 3.494 20 0 EGADMP CC[N@@H+]1CCO[C@@H]2CN(CCCCCOCc3ccccc3)C[C@@H]2C1 ZINC001208813569 1371903346 /nfs/dbraw/zinc/90/33/46/1371903346.db2.gz LYEWNZJZMKXAHX-LEWJYISDSA-N 2 1 346.515 3.026 20 0 EGADMP CC[N@H+]1CCO[C@@H]2CN(CCCCCOCc3ccccc3)C[C@@H]2C1 ZINC001208813569 1371903358 /nfs/dbraw/zinc/90/33/58/1371903358.db2.gz LYEWNZJZMKXAHX-LEWJYISDSA-N 2 1 346.515 3.026 20 0 EGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](CCCCCOCc3ccccc3)C[C@@H]2C1 ZINC001208813569 1371903362 /nfs/dbraw/zinc/90/33/62/1371903362.db2.gz LYEWNZJZMKXAHX-LEWJYISDSA-N 2 1 346.515 3.026 20 0 EGADMP CC[N@H+]1CCO[C@@H]2C[NH+](CCCCCOCc3ccccc3)C[C@@H]2C1 ZINC001208813569 1371903366 /nfs/dbraw/zinc/90/33/66/1371903366.db2.gz LYEWNZJZMKXAHX-LEWJYISDSA-N 2 1 346.515 3.026 20 0 EGADMP CC[NH+]1CCO[C@@H]2C[N@H+](CCCCCOCc3ccccc3)C[C@@H]2C1 ZINC001208813569 1371903371 /nfs/dbraw/zinc/90/33/71/1371903371.db2.gz LYEWNZJZMKXAHX-LEWJYISDSA-N 2 1 346.515 3.026 20 0 EGADMP CC[NH+]1CCO[C@@H]2C[N@@H+](CCCCCOCc3ccccc3)C[C@@H]2C1 ZINC001208813569 1371903379 /nfs/dbraw/zinc/90/33/79/1371903379.db2.gz LYEWNZJZMKXAHX-LEWJYISDSA-N 2 1 346.515 3.026 20 0 EGADMP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001121260633 1371913011 /nfs/dbraw/zinc/91/30/11/1371913011.db2.gz IYJNEJKUVQEXMN-MBEFBZSESA-N 2 1 349.563 3.314 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001121294983 1371926360 /nfs/dbraw/zinc/92/63/60/1371926360.db2.gz KHGYOIYMDABKHR-ODLLKVOJSA-N 2 1 347.547 3.234 20 0 EGADMP O[C@@]1(CF)CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208930401 1371949517 /nfs/dbraw/zinc/94/95/17/1371949517.db2.gz AXYBNWGPMXCUDB-PMACEKPBSA-N 2 1 334.479 3.085 20 0 EGADMP O[C@@]1(CF)CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208930401 1371949521 /nfs/dbraw/zinc/94/95/21/1371949521.db2.gz AXYBNWGPMXCUDB-PMACEKPBSA-N 2 1 334.479 3.085 20 0 EGADMP O[C@@]1(CF)CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208930401 1371949523 /nfs/dbraw/zinc/94/95/23/1371949523.db2.gz AXYBNWGPMXCUDB-PMACEKPBSA-N 2 1 334.479 3.085 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCC[C@@]1(C)O ZINC001208931280 1371951105 /nfs/dbraw/zinc/95/11/05/1371951105.db2.gz IUXJIMBDMIUKON-HLAWJBBLSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[C@@]1(C)O ZINC001208931280 1371951107 /nfs/dbraw/zinc/95/11/07/1371951107.db2.gz IUXJIMBDMIUKON-HLAWJBBLSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[C@@]1(C)O ZINC001208931280 1371951109 /nfs/dbraw/zinc/95/11/09/1371951109.db2.gz IUXJIMBDMIUKON-HLAWJBBLSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@H]1C[C@H]2C[N@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)CC[C@H]2O1 ZINC001208936137 1371951484 /nfs/dbraw/zinc/95/14/84/1371951484.db2.gz NIEJRBUIKZOKGU-ZIBCJSCZSA-N 2 1 328.500 3.398 20 0 EGADMP C[C@H]1C[C@H]2C[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)CC[C@H]2O1 ZINC001208936137 1371951485 /nfs/dbraw/zinc/95/14/85/1371951485.db2.gz NIEJRBUIKZOKGU-ZIBCJSCZSA-N 2 1 328.500 3.398 20 0 EGADMP C[C@H]1C[C@H]2C[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC[C@H]2O1 ZINC001208936137 1371951489 /nfs/dbraw/zinc/95/14/89/1371951489.db2.gz NIEJRBUIKZOKGU-ZIBCJSCZSA-N 2 1 328.500 3.398 20 0 EGADMP C[C@H]1C[C@H]2C[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC[C@H]2O1 ZINC001208936137 1371951495 /nfs/dbraw/zinc/95/14/95/1371951495.db2.gz NIEJRBUIKZOKGU-ZIBCJSCZSA-N 2 1 328.500 3.398 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CC[C@H]([NH+]4CCCC4)C3)C2)cc1 ZINC001208934694 1371952405 /nfs/dbraw/zinc/95/24/05/1371952405.db2.gz FXKPVAJBAKKVKU-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP COC(=O)CC[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208940692 1371953111 /nfs/dbraw/zinc/95/31/11/1371953111.db2.gz VMTJFFXVTZABOW-UXHICEINSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)CC[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940692 1371953113 /nfs/dbraw/zinc/95/31/13/1371953113.db2.gz VMTJFFXVTZABOW-UXHICEINSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)CC[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940692 1371953115 /nfs/dbraw/zinc/95/31/15/1371953115.db2.gz VMTJFFXVTZABOW-UXHICEINSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939132 1371954748 /nfs/dbraw/zinc/95/47/48/1371954748.db2.gz FWLXHNAYFOYVJI-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)C[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208939132 1371954753 /nfs/dbraw/zinc/95/47/53/1371954753.db2.gz FWLXHNAYFOYVJI-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)C[C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939132 1371954757 /nfs/dbraw/zinc/95/47/57/1371954757.db2.gz FWLXHNAYFOYVJI-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP c1cnn(C2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208940186 1371954817 /nfs/dbraw/zinc/95/48/17/1371954817.db2.gz QBDVUYMWJGDERD-HXUWFJFHSA-N 2 1 338.499 3.432 20 0 EGADMP Cc1nnc([C@H]2CCC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC001208955802 1371962028 /nfs/dbraw/zinc/96/20/28/1371962028.db2.gz FRIUCPDKLDMDHW-MOPGFXCFSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nnc([C@H]2CCC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC001208955802 1371962030 /nfs/dbraw/zinc/96/20/30/1371962030.db2.gz FRIUCPDKLDMDHW-MOPGFXCFSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nnc([C@H]2CCC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC001208955802 1371962037 /nfs/dbraw/zinc/96/20/37/1371962037.db2.gz FRIUCPDKLDMDHW-MOPGFXCFSA-N 2 1 340.471 3.080 20 0 EGADMP CCC[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001121462457 1371983154 /nfs/dbraw/zinc/98/31/54/1371983154.db2.gz HXOVRGPLNIKUSW-UHFFFAOYSA-N 2 1 335.536 3.068 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142207 1372012100 /nfs/dbraw/zinc/01/21/00/1372012100.db2.gz IXKWNUAFDZBTGB-IOIJZZRGSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209142207 1372012102 /nfs/dbraw/zinc/01/21/02/1372012102.db2.gz IXKWNUAFDZBTGB-IOIJZZRGSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209142207 1372012104 /nfs/dbraw/zinc/01/21/04/1372012104.db2.gz IXKWNUAFDZBTGB-IOIJZZRGSA-N 2 1 335.536 3.042 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209223708 1372042474 /nfs/dbraw/zinc/04/24/74/1372042474.db2.gz UEGLRIKXAKLCMZ-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CCCC2OCCO2)C3)cc1 ZINC001209308379 1372065021 /nfs/dbraw/zinc/06/50/21/1372065021.db2.gz AQISSRGFWXRFBH-NRFANRHFSA-N 2 1 344.499 3.128 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CCCC2OCCO2)C3)cc1 ZINC001209308379 1372065030 /nfs/dbraw/zinc/06/50/30/1372065030.db2.gz AQISSRGFWXRFBH-NRFANRHFSA-N 2 1 344.499 3.128 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CCCC2OCCO2)C3)cc1 ZINC001209308379 1372065034 /nfs/dbraw/zinc/06/50/34/1372065034.db2.gz AQISSRGFWXRFBH-NRFANRHFSA-N 2 1 344.499 3.128 20 0 EGADMP C[C@@H]1C[C@H]1C[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001209414564 1372099393 /nfs/dbraw/zinc/09/93/93/1372099393.db2.gz NPLMADNHIBFXEK-SOLBZPMBSA-N 2 1 335.442 3.271 20 0 EGADMP C[C@@H]1C[C@H]1C[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001209414564 1372099400 /nfs/dbraw/zinc/09/94/00/1372099400.db2.gz NPLMADNHIBFXEK-SOLBZPMBSA-N 2 1 335.442 3.271 20 0 EGADMP C[C@@H]1C[C@H]1C[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001209414564 1372099404 /nfs/dbraw/zinc/09/94/04/1372099404.db2.gz NPLMADNHIBFXEK-SOLBZPMBSA-N 2 1 335.442 3.271 20 0 EGADMP C[C@@H]1C[C@H]1C[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001209414564 1372099407 /nfs/dbraw/zinc/09/94/07/1372099407.db2.gz NPLMADNHIBFXEK-SOLBZPMBSA-N 2 1 335.442 3.271 20 0 EGADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](C[C@@H]1C[C@@H]1C)CC2 ZINC001209417315 1372100444 /nfs/dbraw/zinc/10/04/44/1372100444.db2.gz VVMBCWSRHJDVPG-ULQDDVLXSA-N 2 1 349.544 3.102 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3CCC[NH+]2CCCCC2)o1 ZINC001209450786 1372108927 /nfs/dbraw/zinc/10/89/27/1372108927.db2.gz CEPZEOUDICAGNZ-UXHICEINSA-N 2 1 331.504 3.113 20 0 EGADMP CN(CCC[NH+]1CCCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001209455043 1372110175 /nfs/dbraw/zinc/11/01/75/1372110175.db2.gz WUQGEFOJESZMFA-NRFANRHFSA-N 2 1 329.532 3.459 20 0 EGADMP COc1cc(C[N@@H+](C2CCCC2)C2CCN(C)CC2)cc(F)c1O ZINC001209537357 1372131403 /nfs/dbraw/zinc/13/14/03/1372131403.db2.gz JFZGFWOEAGNVOC-UHFFFAOYSA-N 2 1 336.451 3.379 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001209565542 1372138060 /nfs/dbraw/zinc/13/80/60/1372138060.db2.gz AQZDUPVIFJZUJI-QRVBRYPASA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]C[C@@H](C)CC(C)C)C2 ZINC001122023864 1372155109 /nfs/dbraw/zinc/15/51/09/1372155109.db2.gz SWEXQECGELAMCH-FUSSNKQKSA-N 2 1 337.552 3.027 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1)CC(C)(C)C ZINC001209691918 1372171476 /nfs/dbraw/zinc/17/14/76/1372171476.db2.gz ZTOJVWMDANDGKA-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001122101356 1372174488 /nfs/dbraw/zinc/17/44/88/1372174488.db2.gz LRPVPAQYZGMYLT-BQYQJAHWSA-N 2 1 349.563 3.482 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001210133261 1372278166 /nfs/dbraw/zinc/27/81/66/1372278166.db2.gz NYDLBEYGDBHKAN-IBGZPJMESA-N 2 1 344.503 3.053 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]C[C@H](C)CC)C1 ZINC001210181059 1372289929 /nfs/dbraw/zinc/28/99/29/1372289929.db2.gz AYOUGIQJRPFJMJ-QZTJIDSGSA-N 2 1 325.541 3.125 20 0 EGADMP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1)c1ccc(F)cc1 ZINC001210494822 1372366163 /nfs/dbraw/zinc/36/61/63/1372366163.db2.gz XRBLCMMCOVKFLF-RTBURBONSA-N 2 1 349.494 3.199 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCC(C)C)C1 ZINC001210586731 1372385250 /nfs/dbraw/zinc/38/52/50/1372385250.db2.gz ZVXBNRNLVISGIJ-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP c1cc(C[NH+]2CCOCC2)cc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001210714448 1372412461 /nfs/dbraw/zinc/41/24/61/1372412461.db2.gz OZVSKESRMGQKCS-OAQYLSRUSA-N 2 1 341.499 3.463 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001210772871 1372424459 /nfs/dbraw/zinc/42/44/59/1372424459.db2.gz CBDPDEMALZKPBT-OEMHODTASA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001210789054 1372426783 /nfs/dbraw/zinc/42/67/83/1372426783.db2.gz MHNAGBLSFCYGQD-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)c1ccccc1C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211283585 1372520574 /nfs/dbraw/zinc/52/05/74/1372520574.db2.gz GYKXEWOJXJPPBM-LJQANCHMSA-N 2 1 345.531 3.231 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1)c1ccc(F)cc1 ZINC001211286473 1372521546 /nfs/dbraw/zinc/52/15/46/1372521546.db2.gz UWDHTMMTJHDZNV-MOPGFXCFSA-N 2 1 349.494 3.198 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211310070 1372526386 /nfs/dbraw/zinc/52/63/86/1372526386.db2.gz NNDUZXPSDINEIP-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)c1ccccc1C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211371085 1372542112 /nfs/dbraw/zinc/54/21/12/1372542112.db2.gz KJYAVBNLQAQFSX-YLJYHZDGSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)c1ccccc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211371085 1372542120 /nfs/dbraw/zinc/54/21/20/1372542120.db2.gz KJYAVBNLQAQFSX-YLJYHZDGSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211371085 1372542124 /nfs/dbraw/zinc/54/21/24/1372542124.db2.gz KJYAVBNLQAQFSX-YLJYHZDGSA-N 2 1 345.531 3.087 20 0 EGADMP CCCCC[C@H]([NH3+])c1nc(-c2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC001212273294 1372681304 /nfs/dbraw/zinc/68/13/04/1372681304.db2.gz ODCDUIKFDTXTBS-KRWDZBQOSA-N 2 1 343.475 3.069 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636313 1373093686 /nfs/dbraw/zinc/09/36/86/1373093686.db2.gz HBSYCWRLYJERAJ-WSTZPKSXSA-N 2 1 349.563 3.124 20 0 EGADMP CC1CCC(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001127356445 1373118145 /nfs/dbraw/zinc/11/81/45/1373118145.db2.gz CLEBGBCJAGUCRG-CTWPCTMYSA-N 2 1 349.563 3.173 20 0 EGADMP O=C(NCC[NH2+]CCC1=CCCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356460 1373118227 /nfs/dbraw/zinc/11/82/27/1373118227.db2.gz DAMSGMXCQNGGJE-LJQANCHMSA-N 2 1 347.547 3.237 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001216494103 1373311879 /nfs/dbraw/zinc/31/18/79/1373311879.db2.gz GWKVWBXGRDOFSM-QWFCFKBJSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)c1 ZINC001216852178 1373351698 /nfs/dbraw/zinc/35/16/98/1373351698.db2.gz RGYVCWCELOZLEB-QWFCFKBJSA-N 2 1 345.531 3.141 20 0 EGADMP Cc1cc(C)c(C[NH2+]CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001129410890 1373381764 /nfs/dbraw/zinc/38/17/64/1373381764.db2.gz QYZJHHYPTRJBIN-LJQANCHMSA-N 2 1 345.531 3.081 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC001129429502 1373382974 /nfs/dbraw/zinc/38/29/74/1373382974.db2.gz HGKAUMSBBPCYAZ-XLIONFOSSA-N 2 1 343.515 3.169 20 0 EGADMP O=C(NCC[NH2+]CC1CCC2(CC2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129430236 1373383113 /nfs/dbraw/zinc/38/31/13/1373383113.db2.gz PQTPGKDDHCKXMR-IBGZPJMESA-N 2 1 347.547 3.070 20 0 EGADMP O=C(NCC[NH2+]CCC1CCCCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129428928 1373383482 /nfs/dbraw/zinc/38/34/82/1373383482.db2.gz BJXAZRKPZAEAIO-FQEVSTJZSA-N 2 1 349.563 3.460 20 0 EGADMP CC(C)(C)c1ccc(-c2nnc([C@@H]([NH3+])CC3CC[NH2+]CC3)o2)cc1 ZINC001217725583 1373495158 /nfs/dbraw/zinc/49/51/58/1373495158.db2.gz SQRUTOSCMCSFIV-INIZCTEOSA-N 2 1 328.460 3.424 20 0 EGADMP CC(C)C[C@@](C)([NH3+])c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217734441 1373497528 /nfs/dbraw/zinc/49/75/28/1373497528.db2.gz XPKVECJCGZBUOU-VQIMIIECSA-N 2 1 328.460 3.279 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@](C)(CO[C@@H]2CCCC[NH2+]C2)O1 ZINC001217773185 1373499882 /nfs/dbraw/zinc/49/98/82/1373499882.db2.gz NNIFOYHNWLUICZ-TZIWHRDSSA-N 2 1 346.515 3.215 20 0 EGADMP CC1(C)[NH2+][C@H](CO[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC001217847159 1373506724 /nfs/dbraw/zinc/50/67/24/1373506724.db2.gz DSJQITVKHGEAID-MSOLQXFVSA-N 2 1 332.488 3.028 20 0 EGADMP c1ccc(C[N@@H+]2CCc3nc(O[C@@H]4CCC[NH2+]CC4)ccc3C2)cc1 ZINC001217994217 1373529488 /nfs/dbraw/zinc/52/94/88/1373529488.db2.gz FWUIVNNNUSVXDM-LJQANCHMSA-N 2 1 337.467 3.161 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(O[C@@H]4CCC[NH2+]CC4)ccc3C2)cc1 ZINC001217994217 1373529490 /nfs/dbraw/zinc/52/94/90/1373529490.db2.gz FWUIVNNNUSVXDM-LJQANCHMSA-N 2 1 337.467 3.161 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001130427356 1373534172 /nfs/dbraw/zinc/53/41/72/1373534172.db2.gz MVCDVTCKDMFWDD-INIZCTEOSA-N 2 1 347.547 3.481 20 0 EGADMP C[NH+](C)Cc1cc(O[C@H]2CC[NH2+]CC2(C)C)ccc1Br ZINC001218311429 1373593186 /nfs/dbraw/zinc/59/31/86/1373593186.db2.gz KSIBQBCRDVULPW-HNNXBMFYSA-N 2 1 341.293 3.278 20 0 EGADMP CC[C@@]1(c2cccc(OCCO[C@H]3CC[NH2+]C3)c2)CCCC[N@@H+](C)C1 ZINC001218388285 1373604489 /nfs/dbraw/zinc/60/44/89/1373604489.db2.gz QGUXAMYBBMADPC-LEWJYISDSA-N 2 1 346.515 3.207 20 0 EGADMP c1ccc(C[N@@H+]2CCc3nc(O[C@@H]4CC[C@@H]5C[NH2+]C[C@H]45)ccc3C2)cc1 ZINC001218475041 1373621060 /nfs/dbraw/zinc/62/10/60/1373621060.db2.gz XTQZEXAGJUMVHN-SLYNCCJLSA-N 2 1 349.478 3.017 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(O[C@@H]4CC[C@@H]5C[NH2+]C[C@H]45)ccc3C2)cc1 ZINC001218475041 1373621067 /nfs/dbraw/zinc/62/10/67/1373621067.db2.gz XTQZEXAGJUMVHN-SLYNCCJLSA-N 2 1 349.478 3.017 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCCCCC)[C@@H]2C1 ZINC001221876631 1373800335 /nfs/dbraw/zinc/80/03/35/1373800335.db2.gz MFGMTJZMONKSOD-CXBOONTCSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001221876631 1373800340 /nfs/dbraw/zinc/80/03/40/1373800340.db2.gz MFGMTJZMONKSOD-CXBOONTCSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001221876631 1373800347 /nfs/dbraw/zinc/80/03/47/1373800347.db2.gz MFGMTJZMONKSOD-CXBOONTCSA-N 2 1 349.563 3.388 20 0 EGADMP C[N@@H+](CCC(=O)NCC[NH2+]CCCC1CCCC1)C1CCCCC1 ZINC001131815495 1373819496 /nfs/dbraw/zinc/81/94/96/1373819496.db2.gz GASOOAWSUKMCHD-UHFFFAOYSA-N 2 1 337.552 3.317 20 0 EGADMP Cc1cc(F)c(C[NH+]2CCC3(C[NH2+]C3)CC2)c(Br)c1 ZINC001222208385 1373820882 /nfs/dbraw/zinc/82/08/82/1373820882.db2.gz LCTWWXSKAOOQGC-UHFFFAOYSA-N 2 1 327.241 3.082 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN3CCC[C@]4(CCCC[NH2+]4)C3)C2)cc1 ZINC001222385756 1373831649 /nfs/dbraw/zinc/83/16/49/1373831649.db2.gz VZIWRBJHZRXZPO-LEWJYISDSA-N 2 1 327.516 3.117 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001132041379 1375113030 /nfs/dbraw/zinc/11/30/30/1375113030.db2.gz CXNRIKTXCUSYHU-MSOLQXFVSA-N 2 1 337.552 3.410 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]cn2)C[N@H+]1CCCC(C)(C)C ZINC001132090336 1375140334 /nfs/dbraw/zinc/14/03/34/1375140334.db2.gz GNCVXDJGRAOBCF-WBVHZDCISA-N 2 1 334.508 3.138 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCc2cnc[nH]2)C[N@@H+]1CCCC(C)(C)C ZINC001132090336 1375140335 /nfs/dbraw/zinc/14/03/35/1375140335.db2.gz GNCVXDJGRAOBCF-WBVHZDCISA-N 2 1 334.508 3.138 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCc2cnc[nH]2)C[N@H+]1CCCC(C)(C)C ZINC001132090336 1375140337 /nfs/dbraw/zinc/14/03/37/1375140337.db2.gz GNCVXDJGRAOBCF-WBVHZDCISA-N 2 1 334.508 3.138 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132105342 1375150323 /nfs/dbraw/zinc/15/03/23/1375150323.db2.gz FPMFXRSXEQQPBW-ZGKJDNBHSA-N 2 1 335.536 3.186 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132105342 1375150334 /nfs/dbraw/zinc/15/03/34/1375150334.db2.gz FPMFXRSXEQQPBW-ZGKJDNBHSA-N 2 1 335.536 3.186 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132105342 1375150340 /nfs/dbraw/zinc/15/03/40/1375150340.db2.gz FPMFXRSXEQQPBW-ZGKJDNBHSA-N 2 1 335.536 3.186 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCCC(C)(C)C ZINC001132105032 1375150471 /nfs/dbraw/zinc/15/04/71/1375150471.db2.gz AIOGSGXEAVBFFR-IAGOWNOFSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](CCC2CCCC2)C1 ZINC001132153153 1375172937 /nfs/dbraw/zinc/17/29/37/1375172937.db2.gz NTASNLJIDYLYSC-FUHWJXTLSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2CCCC2)C1 ZINC001132153153 1375172938 /nfs/dbraw/zinc/17/29/38/1375172938.db2.gz NTASNLJIDYLYSC-FUHWJXTLSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC2CCCC2)C1 ZINC001132153153 1375172939 /nfs/dbraw/zinc/17/29/39/1375172939.db2.gz NTASNLJIDYLYSC-FUHWJXTLSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CCCCC2)C1 ZINC001132152784 1375172997 /nfs/dbraw/zinc/17/29/97/1375172997.db2.gz IVHBIDXGVXQKCV-AEFFLSMTSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCCCC2)C1 ZINC001132152784 1375172999 /nfs/dbraw/zinc/17/29/99/1375172999.db2.gz IVHBIDXGVXQKCV-AEFFLSMTSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CCCCC2)C1 ZINC001132152784 1375173004 /nfs/dbraw/zinc/17/30/04/1375173004.db2.gz IVHBIDXGVXQKCV-AEFFLSMTSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cccc(C)c2)C1 ZINC001132154359 1375174051 /nfs/dbraw/zinc/17/40/51/1375174051.db2.gz ZCOGIBSVBNYOMA-PKOBYXMFSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(C)c2)C1 ZINC001132154359 1375174053 /nfs/dbraw/zinc/17/40/53/1375174053.db2.gz ZCOGIBSVBNYOMA-PKOBYXMFSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(C)c2)C1 ZINC001132154359 1375174055 /nfs/dbraw/zinc/17/40/55/1375174055.db2.gz ZCOGIBSVBNYOMA-PKOBYXMFSA-N 2 1 345.531 3.194 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@H+]1CCC1CC1 ZINC001132207694 1375210273 /nfs/dbraw/zinc/21/02/73/1375210273.db2.gz VWIPGJODHLEYQG-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[NH+]1CCC1CC1 ZINC001132207694 1375210277 /nfs/dbraw/zinc/21/02/77/1375210277.db2.gz VWIPGJODHLEYQG-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[NH+]1CCC1CC1 ZINC001132207694 1375210280 /nfs/dbraw/zinc/21/02/80/1375210280.db2.gz VWIPGJODHLEYQG-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)C ZINC001226323616 1375240219 /nfs/dbraw/zinc/24/02/19/1375240219.db2.gz QBWXYCYNNFLFRL-RCCFBDPRSA-N 2 1 348.535 3.460 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC(C)(C)C)CC[N@H+]1C ZINC001226334320 1375242186 /nfs/dbraw/zinc/24/21/86/1375242186.db2.gz SINKNCDAHXQGQR-BRSBDYLESA-N 2 1 337.552 3.170 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001132265374 1375254147 /nfs/dbraw/zinc/25/41/47/1375254147.db2.gz LTARVLXAPCAYFP-WXYTYNPNSA-N 2 1 347.503 3.280 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001132265374 1375254150 /nfs/dbraw/zinc/25/41/50/1375254150.db2.gz LTARVLXAPCAYFP-WXYTYNPNSA-N 2 1 347.503 3.280 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CCCC(C)(C)C ZINC001132264809 1375254412 /nfs/dbraw/zinc/25/44/12/1375254412.db2.gz BUBRRNBFPYSWMF-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132309577 1375287004 /nfs/dbraw/zinc/28/70/04/1375287004.db2.gz AAETUYJADPGPMD-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132309577 1375287008 /nfs/dbraw/zinc/28/70/08/1375287008.db2.gz AAETUYJADPGPMD-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2CC2)C1 ZINC001132335862 1375315773 /nfs/dbraw/zinc/31/57/73/1375315773.db2.gz VLCATRPMERHOCL-SJLPKXTDSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC2CC2)C1 ZINC001132335862 1375315782 /nfs/dbraw/zinc/31/57/82/1375315782.db2.gz VLCATRPMERHOCL-SJLPKXTDSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2CC2)C1 ZINC001132335860 1375316911 /nfs/dbraw/zinc/31/69/11/1375316911.db2.gz VLCATRPMERHOCL-AEFFLSMTSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC2CC2)C1 ZINC001132335860 1375316915 /nfs/dbraw/zinc/31/69/15/1375316915.db2.gz VLCATRPMERHOCL-AEFFLSMTSA-N 2 1 346.519 3.166 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132354188 1375324892 /nfs/dbraw/zinc/32/48/92/1375324892.db2.gz JYYATFODYZNADW-IBMJZYDUSA-N 2 1 346.519 3.297 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132354188 1375324896 /nfs/dbraw/zinc/32/48/96/1375324896.db2.gz JYYATFODYZNADW-IBMJZYDUSA-N 2 1 346.519 3.297 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCC(C)C)C1 ZINC001132366280 1375332322 /nfs/dbraw/zinc/33/23/22/1375332322.db2.gz ZPYVTSPCFJWEMU-MJGOQNOKSA-N 2 1 348.535 3.377 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC(C)C)C1 ZINC001132366280 1375332326 /nfs/dbraw/zinc/33/23/26/1375332326.db2.gz ZPYVTSPCFJWEMU-MJGOQNOKSA-N 2 1 348.535 3.377 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001132380846 1375341082 /nfs/dbraw/zinc/34/10/82/1375341082.db2.gz QFKYXHOSOBZHFL-KJYWSYJISA-N 2 1 349.563 3.434 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC)C1 ZINC001132420274 1375369578 /nfs/dbraw/zinc/36/95/78/1375369578.db2.gz PVUPNNUCYJFRIC-MSOLQXFVSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001132425663 1375373208 /nfs/dbraw/zinc/37/32/08/1375373208.db2.gz KJZQZEAOTHQQKK-SJORKVTESA-N 2 1 346.519 3.311 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001132425663 1375373214 /nfs/dbraw/zinc/37/32/14/1375373214.db2.gz KJZQZEAOTHQQKK-SJORKVTESA-N 2 1 346.519 3.311 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1Cc1ccc(F)cc1 ZINC001132433235 1375378476 /nfs/dbraw/zinc/37/84/76/1375378476.db2.gz LHTXEPURBNGYKC-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(F)cc2)C1 ZINC001132437145 1375382794 /nfs/dbraw/zinc/38/27/94/1375382794.db2.gz QROSXRGVJUZGOO-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cc2)C1 ZINC001132437145 1375382801 /nfs/dbraw/zinc/38/28/01/1375382801.db2.gz QROSXRGVJUZGOO-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cc2)C1 ZINC001132437145 1375382806 /nfs/dbraw/zinc/38/28/06/1375382806.db2.gz QROSXRGVJUZGOO-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001227150630 1375397779 /nfs/dbraw/zinc/39/77/79/1375397779.db2.gz WSZQCLRNOXJHQF-QZTJIDSGSA-N 2 1 337.552 3.314 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CC1CCCCC1 ZINC001132523878 1375439545 /nfs/dbraw/zinc/43/95/45/1375439545.db2.gz BJMNYJORIKCOBW-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CCCC1CCC1 ZINC001132525755 1375441330 /nfs/dbraw/zinc/44/13/30/1375441330.db2.gz VBBOMWBROLJFHI-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001227792261 1375475043 /nfs/dbraw/zinc/47/50/43/1375475043.db2.gz MNMYLZBBAPPGMD-LIXSYLKWSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132976427 1375690987 /nfs/dbraw/zinc/69/09/87/1375690987.db2.gz DSNZROMSBJFPFI-WAQVGJNASA-N 2 1 346.519 3.012 20 0 EGADMP C[N@@H+]1CCC[C@H](Oc2ccc3c(n2)C[NH+](Cc2ccccc2)CC3)C1 ZINC001229058130 1375754057 /nfs/dbraw/zinc/75/40/57/1375754057.db2.gz WAXDHNLTUZIUQF-IBGZPJMESA-N 2 1 337.467 3.113 20 0 EGADMP C[N@H+]1CCC[C@H](Oc2ccc3c(n2)C[NH+](Cc2ccccc2)CC3)C1 ZINC001229058130 1375754060 /nfs/dbraw/zinc/75/40/60/1375754060.db2.gz WAXDHNLTUZIUQF-IBGZPJMESA-N 2 1 337.467 3.113 20 0 EGADMP C[NH+]1CCC[C@H](Oc2ccc3c(n2)C[N@@H+](Cc2ccccc2)CC3)C1 ZINC001229058130 1375754064 /nfs/dbraw/zinc/75/40/64/1375754064.db2.gz WAXDHNLTUZIUQF-IBGZPJMESA-N 2 1 337.467 3.113 20 0 EGADMP C[NH+]1CCC[C@H](Oc2ccc3c(n2)C[N@H+](Cc2ccccc2)CC3)C1 ZINC001229058130 1375754070 /nfs/dbraw/zinc/75/40/70/1375754070.db2.gz WAXDHNLTUZIUQF-IBGZPJMESA-N 2 1 337.467 3.113 20 0 EGADMP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001229544988 1375853043 /nfs/dbraw/zinc/85/30/43/1375853043.db2.gz OYOBPQRZMPZRIQ-UNQUKWGNSA-N 2 1 347.547 3.330 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001133261646 1375876668 /nfs/dbraw/zinc/87/66/68/1375876668.db2.gz BVOLERVPAVUFRZ-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC001230107519 1375943667 /nfs/dbraw/zinc/94/36/67/1375943667.db2.gz JAQZILUZVHKKKU-INIZCTEOSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001230107714 1375945027 /nfs/dbraw/zinc/94/50/27/1375945027.db2.gz UZRYJEOJFZMBST-QGZVFWFLSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001230359603 1376008094 /nfs/dbraw/zinc/00/80/94/1376008094.db2.gz FJGGLXHNDYULFE-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP Nc1[nH]c2ccc(O[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)cc2[nH+]1 ZINC001230515293 1376048546 /nfs/dbraw/zinc/04/85/46/1376048546.db2.gz ADKSGJQMNADJJP-WRWLIDTKSA-N 2 1 348.450 3.435 20 0 EGADMP Nc1[nH]c2cc(O[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)ccc2[nH+]1 ZINC001230515293 1376048553 /nfs/dbraw/zinc/04/85/53/1376048553.db2.gz ADKSGJQMNADJJP-WRWLIDTKSA-N 2 1 348.450 3.435 20 0 EGADMP Nc1[nH]c2cc(O[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)ccc2[nH+]1 ZINC001230515293 1376048564 /nfs/dbraw/zinc/04/85/64/1376048564.db2.gz ADKSGJQMNADJJP-WRWLIDTKSA-N 2 1 348.450 3.435 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)c1cccc2ccccc21 ZINC001133834481 1376224463 /nfs/dbraw/zinc/22/44/63/1376224463.db2.gz YZIZELWXHDRYOP-SJORKVTESA-N 2 1 339.483 3.091 20 0 EGADMP CCc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)s1 ZINC001231500418 1376252468 /nfs/dbraw/zinc/25/24/68/1376252468.db2.gz RIFCFVMCQNZPFO-PXNSSMCTSA-N 2 1 348.556 3.491 20 0 EGADMP CCc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)s1 ZINC001231500418 1376252472 /nfs/dbraw/zinc/25/24/72/1376252472.db2.gz RIFCFVMCQNZPFO-PXNSSMCTSA-N 2 1 348.556 3.491 20 0 EGADMP CCc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)s1 ZINC001231500418 1376252478 /nfs/dbraw/zinc/25/24/78/1376252478.db2.gz RIFCFVMCQNZPFO-PXNSSMCTSA-N 2 1 348.556 3.491 20 0 EGADMP CCc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)s1 ZINC001231500418 1376252479 /nfs/dbraw/zinc/25/24/79/1376252479.db2.gz RIFCFVMCQNZPFO-PXNSSMCTSA-N 2 1 348.556 3.491 20 0 EGADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001232013099 1376381423 /nfs/dbraw/zinc/38/14/23/1376381423.db2.gz XXHIRBJMHZVOBN-INIZCTEOSA-N 2 1 344.459 3.394 20 0 EGADMP CC(C)(C)OC(=O)N1CCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232013079 1376383078 /nfs/dbraw/zinc/38/30/78/1376383078.db2.gz XHFAPIGCCRKPGC-UHFFFAOYSA-N 2 1 330.432 3.006 20 0 EGADMP CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232013079 1376383083 /nfs/dbraw/zinc/38/30/83/1376383083.db2.gz XHFAPIGCCRKPGC-UHFFFAOYSA-N 2 1 330.432 3.006 20 0 EGADMP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001134607181 1376622435 /nfs/dbraw/zinc/62/24/35/1376622435.db2.gz FGOSXGYUCAULCH-ZWKOTPCHSA-N 2 1 345.531 3.161 20 0 EGADMP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)c1ccc(F)cc1 ZINC001134766206 1376709333 /nfs/dbraw/zinc/70/93/33/1376709333.db2.gz DXFIYDBOYPGNOY-OALUTQOASA-N 2 1 349.494 3.246 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001134765986 1376709643 /nfs/dbraw/zinc/70/96/43/1376709643.db2.gz BWYFMRYHZKGVTM-FQEVSTJZSA-N 2 1 343.515 3.033 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001135029679 1376857024 /nfs/dbraw/zinc/85/70/24/1376857024.db2.gz QNOBVBQJBONWLN-DLBZAZTESA-N 2 1 348.535 3.425 20 0 EGADMP Fc1cc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)ccc1OCc1ccccc1 ZINC001235339330 1376867928 /nfs/dbraw/zinc/86/79/28/1376867928.db2.gz FSSRPVAFFSFTCI-GOSISDBHSA-N 2 1 340.442 3.446 20 0 EGADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)OCCCO2 ZINC001235429191 1376869871 /nfs/dbraw/zinc/86/98/71/1376869871.db2.gz QCIOZZRSQMMYDK-ZWKOTPCHSA-N 2 1 330.472 3.060 20 0 EGADMP COc1cc(C)cc(OC)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431117 1376871270 /nfs/dbraw/zinc/87/12/70/1376871270.db2.gz UYMCIABGDCCWKK-IRXDYDNUSA-N 2 1 332.488 3.224 20 0 EGADMP Cn1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cc2)n1 ZINC001235430640 1376872617 /nfs/dbraw/zinc/87/26/17/1376872617.db2.gz KDOOIYJQIIAISD-WOJBJXKFSA-N 2 1 338.499 3.299 20 0 EGADMP CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCCC1)[NH+](C)C ZINC001235589486 1376876346 /nfs/dbraw/zinc/87/63/46/1376876346.db2.gz SDVMVEYGLAKCSQ-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP C[N@@H+](CCC1C[NH2+]C1)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001235922864 1376919024 /nfs/dbraw/zinc/91/90/24/1376919024.db2.gz IGNHJLUBWVDTJX-UHFFFAOYSA-N 2 1 335.495 3.002 20 0 EGADMP Cc1cccc(-c2ccc(C[N@H+]3CCC[C@H](N4CC([NH3+])C4)C3)cc2)c1 ZINC001236076504 1376931896 /nfs/dbraw/zinc/93/18/96/1376931896.db2.gz AXXFORTVMNAQSM-QFIPXVFZSA-N 2 1 335.495 3.269 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccc5c(c4)C[NH2+]C5)C[C@H]3C2)cc1 ZINC001236182934 1376940308 /nfs/dbraw/zinc/94/03/08/1376940308.db2.gz AVPXNEDUJCICCL-GGAORHGYSA-N 2 1 347.506 3.244 20 0 EGADMP CCC[N@@H+](Cc1ccc(-n2ccnc2)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236844499 1376966620 /nfs/dbraw/zinc/96/66/20/1376966620.db2.gz VHIIWQKZBDUUFH-OAHLLOKOSA-N 2 1 332.879 3.347 20 0 EGADMP CCC[N@H+](Cc1ccc(-n2ccnc2)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236844499 1376966624 /nfs/dbraw/zinc/96/66/24/1376966624.db2.gz VHIIWQKZBDUUFH-OAHLLOKOSA-N 2 1 332.879 3.347 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccc(Cl)cc2Cl)N(C)C)CC[NH2+]1 ZINC001246297712 1377050882 /nfs/dbraw/zinc/05/08/82/1377050882.db2.gz XJVKNASUZJJTKD-FFSVYQOJSA-N 2 1 330.303 3.326 20 0 EGADMP C[C@H]1C[C@H]([N@@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC001246292186 1377051111 /nfs/dbraw/zinc/05/11/11/1377051111.db2.gz UUEARIBVXOPXGG-XNUXLAJESA-N 3 1 327.516 3.255 20 0 EGADMP CC(C)CCNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246296565 1377051167 /nfs/dbraw/zinc/05/11/67/1377051167.db2.gz SANWSTJAQBWMQZ-OKZBNKHCSA-N 2 1 339.568 3.320 20 0 EGADMP Cc1nc([C@H]2C[C@@H]3CC[N@@H+]([C@H]4CC[NH2+][C@H](C)C4)C[C@H]3O2)sc1C ZINC001246714695 1377053424 /nfs/dbraw/zinc/05/34/24/1377053424.db2.gz MEQWVBVUTCZPRF-RDZAWVCESA-N 2 1 335.517 3.052 20 0 EGADMP Cc1nc([C@H]2C[C@@H]3CC[N@H+]([C@H]4CC[NH2+][C@H](C)C4)C[C@H]3O2)sc1C ZINC001246714695 1377053427 /nfs/dbraw/zinc/05/34/27/1377053427.db2.gz MEQWVBVUTCZPRF-RDZAWVCESA-N 2 1 335.517 3.052 20 0 EGADMP C[N@@H+](Cc1ccccc1F)C1CCN([C@@H]2CCC[NH+](C)CC2)CC1 ZINC001254528934 1377106619 /nfs/dbraw/zinc/10/66/19/1377106619.db2.gz ARWJVGFSNGLEPH-LJQANCHMSA-N 2 1 333.495 3.206 20 0 EGADMP C[NH+](Cc1ccccc1F)C1CCN([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254528934 1377106622 /nfs/dbraw/zinc/10/66/22/1377106622.db2.gz ARWJVGFSNGLEPH-LJQANCHMSA-N 2 1 333.495 3.206 20 0 EGADMP C[NH+](Cc1ccccc1F)C1CCN([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254528934 1377106624 /nfs/dbraw/zinc/10/66/24/1377106624.db2.gz ARWJVGFSNGLEPH-LJQANCHMSA-N 2 1 333.495 3.206 20 0 EGADMP CN(Cc1ccccc1F)C1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254528934 1377106629 /nfs/dbraw/zinc/10/66/29/1377106629.db2.gz ARWJVGFSNGLEPH-LJQANCHMSA-N 2 1 333.495 3.206 20 0 EGADMP CN(Cc1ccccc1F)C1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254528934 1377106630 /nfs/dbraw/zinc/10/66/30/1377106630.db2.gz ARWJVGFSNGLEPH-LJQANCHMSA-N 2 1 333.495 3.206 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(CC2)OC(=O)c2cc(Cl)ccc23)CC1 ZINC001254530001 1377107254 /nfs/dbraw/zinc/10/72/54/1377107254.db2.gz SUQIOFDAXZIBBH-OAHLLOKOSA-N 2 1 348.874 3.286 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135478103 1377111603 /nfs/dbraw/zinc/11/16/03/1377111603.db2.gz ZANTVIUHVPVNQV-DLBZAZTESA-N 2 1 337.552 3.338 20 0 EGADMP CC(C)CC[C@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001256366269 1377111773 /nfs/dbraw/zinc/11/17/73/1377111773.db2.gz WCAYNQIFUYSPEV-KRWDZBQOSA-N 2 1 348.535 3.114 20 0 EGADMP CC(C)CC[C@H](C)[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001256366269 1377111774 /nfs/dbraw/zinc/11/17/74/1377111774.db2.gz WCAYNQIFUYSPEV-KRWDZBQOSA-N 2 1 348.535 3.114 20 0 EGADMP CC(C)CC[C@H](C)[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001256366269 1377111776 /nfs/dbraw/zinc/11/17/76/1377111776.db2.gz WCAYNQIFUYSPEV-KRWDZBQOSA-N 2 1 348.535 3.114 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]Cc1ccsc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135482055 1377114335 /nfs/dbraw/zinc/11/43/35/1377114335.db2.gz ZZAOROZXSGNNBP-GJZGRUSLSA-N 2 1 339.549 3.099 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001265447138 1377153081 /nfs/dbraw/zinc/15/30/81/1377153081.db2.gz YWDLCBRKILVJEX-RBUKOAKNSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CC1 ZINC001135600187 1377158917 /nfs/dbraw/zinc/15/89/17/1377158917.db2.gz ILNOMWLIWKMBAA-CVEARBPZSA-N 2 1 334.508 3.070 20 0 EGADMP CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135601740 1377159786 /nfs/dbraw/zinc/15/97/86/1377159786.db2.gz XFVNMOWUDVRJPI-IAGOWNOFSA-N 2 1 336.524 3.316 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001135858239 1377236834 /nfs/dbraw/zinc/23/68/34/1377236834.db2.gz VOXVLOMNWZUPML-CABCVRRESA-N 2 1 339.911 3.055 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC001135861488 1377238662 /nfs/dbraw/zinc/23/86/62/1377238662.db2.gz RSZMZUPPVHOFHW-UONOGXRCSA-N 2 1 339.549 3.080 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135861954 1377238778 /nfs/dbraw/zinc/23/87/78/1377238778.db2.gz ZNICTYSUGMNPRD-DLBZAZTESA-N 2 1 337.552 3.172 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001135861638 1377238794 /nfs/dbraw/zinc/23/87/94/1377238794.db2.gz UYBKMFYTWFIXHM-DLBZAZTESA-N 2 1 325.541 3.172 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+](C)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001266332238 1377277275 /nfs/dbraw/zinc/27/72/75/1377277275.db2.gz ICIYJNNFATZLDJ-GOSISDBHSA-N 2 1 342.487 3.206 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001266332238 1377277279 /nfs/dbraw/zinc/27/72/79/1377277279.db2.gz ICIYJNNFATZLDJ-GOSISDBHSA-N 2 1 342.487 3.206 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001266470003 1377316222 /nfs/dbraw/zinc/31/62/22/1377316222.db2.gz XQZKTWDPZNIFMV-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001266470003 1377316225 /nfs/dbraw/zinc/31/62/25/1377316225.db2.gz XQZKTWDPZNIFMV-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001266470003 1377316229 /nfs/dbraw/zinc/31/62/29/1377316229.db2.gz XQZKTWDPZNIFMV-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001327308810 1388494100 /nfs/dbraw/zinc/49/41/00/1388494100.db2.gz QRGOERCGVVEHAY-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001327308810 1388494104 /nfs/dbraw/zinc/49/41/04/1388494104.db2.gz QRGOERCGVVEHAY-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001327308810 1388494106 /nfs/dbraw/zinc/49/41/06/1388494106.db2.gz QRGOERCGVVEHAY-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP COc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)cn1 ZINC001137031793 1377462356 /nfs/dbraw/zinc/46/23/56/1377462356.db2.gz HAMTXDXRXGGZGT-UHFFFAOYSA-N 2 1 348.450 3.269 20 0 EGADMP COC1CC[NH+](C2CC[NH+](Cc3cccc4cccnc43)CC2)CC1 ZINC001137179232 1377491359 /nfs/dbraw/zinc/49/13/59/1377491359.db2.gz LQHIMHFLHAOXGR-UHFFFAOYSA-N 2 1 339.483 3.310 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCC1C[NH+](CCCC(C)(C)C)C1)c1ccccc1 ZINC001268916649 1377531947 /nfs/dbraw/zinc/53/19/47/1377531947.db2.gz CJJFBDJLHKAASI-LJQANCHMSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001269291528 1377548005 /nfs/dbraw/zinc/54/80/05/1377548005.db2.gz GPUGVTWRLYSEOE-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001269291528 1377548007 /nfs/dbraw/zinc/54/80/07/1377548007.db2.gz GPUGVTWRLYSEOE-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC001269291528 1377548009 /nfs/dbraw/zinc/54/80/09/1377548009.db2.gz GPUGVTWRLYSEOE-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cccnc2Br)CC1 ZINC001137798210 1377617730 /nfs/dbraw/zinc/61/77/30/1377617730.db2.gz YDUSWLZCWKGPPM-UHFFFAOYSA-N 2 1 340.309 3.396 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccnc2Br)CC1 ZINC001137798210 1377617732 /nfs/dbraw/zinc/61/77/32/1377617732.db2.gz YDUSWLZCWKGPPM-UHFFFAOYSA-N 2 1 340.309 3.396 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(C)cccc1C)C2 ZINC001137849019 1377629989 /nfs/dbraw/zinc/62/99/89/1377629989.db2.gz APDXIGBSZKALLO-UNMCSNQZSA-N 2 1 342.527 3.484 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1c(C)cccc1C)C2 ZINC001137849019 1377629991 /nfs/dbraw/zinc/62/99/91/1377629991.db2.gz APDXIGBSZKALLO-UNMCSNQZSA-N 2 1 342.527 3.484 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1c(C)cccc1C)C2 ZINC001137849019 1377629996 /nfs/dbraw/zinc/62/99/96/1377629996.db2.gz APDXIGBSZKALLO-UNMCSNQZSA-N 2 1 342.527 3.484 20 0 EGADMP CCOCC[NH+](CCOCC)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138548490 1377739800 /nfs/dbraw/zinc/73/98/00/1377739800.db2.gz FRGQJHFKOARFIQ-UHFFFAOYSA-N 2 1 331.460 3.056 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)cc1 ZINC001138548759 1377740663 /nfs/dbraw/zinc/74/06/63/1377740663.db2.gz JUUQEKVHOBTCME-KRWDZBQOSA-N 2 1 333.382 3.181 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@]3(C2)CC(F)(F)CO3)cc1 ZINC001138548759 1377740664 /nfs/dbraw/zinc/74/06/64/1377740664.db2.gz JUUQEKVHOBTCME-KRWDZBQOSA-N 2 1 333.382 3.181 20 0 EGADMP COc1cc(C)c(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c(C)c1C ZINC001138723611 1377774188 /nfs/dbraw/zinc/77/41/88/1377774188.db2.gz FLJLVVHCUAJVNR-UHFFFAOYSA-N 2 1 345.487 3.250 20 0 EGADMP CCC(=O)Oc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC001138967566 1377810960 /nfs/dbraw/zinc/81/09/60/1377810960.db2.gz PFSYKUATOSRNQA-UHFFFAOYSA-N 2 1 339.439 3.028 20 0 EGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(Oc3ncccn3)cc2)CC1 ZINC001139081028 1377826112 /nfs/dbraw/zinc/82/61/12/1377826112.db2.gz SBBXENZBFYEADX-UHFFFAOYSA-N 2 1 326.444 3.185 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Oc3ncccn3)cc2)CC1 ZINC001139081028 1377826117 /nfs/dbraw/zinc/82/61/17/1377826117.db2.gz SBBXENZBFYEADX-UHFFFAOYSA-N 2 1 326.444 3.185 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C2)CC1 ZINC001139081920 1377826226 /nfs/dbraw/zinc/82/62/26/1377826226.db2.gz XTCDFEJLFPRVIU-UHFFFAOYSA-N 2 1 338.455 3.187 20 0 EGADMP C[N@@H+](Cc1ccc(Br)nc1Cl)CC1CC[NH+](C)CC1 ZINC001139112912 1377831411 /nfs/dbraw/zinc/83/14/11/1377831411.db2.gz GVCCZTKUBANWTB-UHFFFAOYSA-N 2 1 346.700 3.271 20 0 EGADMP C[N@H+](Cc1ccc(Br)nc1Cl)CC1CC[NH+](C)CC1 ZINC001139112912 1377831412 /nfs/dbraw/zinc/83/14/12/1377831412.db2.gz GVCCZTKUBANWTB-UHFFFAOYSA-N 2 1 346.700 3.271 20 0 EGADMP COC1CC[NH+](C2CC[NH+](Cc3cccc4c3ccn4C)CC2)CC1 ZINC001139163323 1377842003 /nfs/dbraw/zinc/84/20/03/1377842003.db2.gz JGFRZKJCZWCTTB-UHFFFAOYSA-N 2 1 341.499 3.254 20 0 EGADMP COC(=O)c1[nH]c2ccccc2c1C[N@@H+](C(C)C)C1CCN(C)CC1 ZINC001139400627 1377879035 /nfs/dbraw/zinc/87/90/35/1377879035.db2.gz AFZSPQCWWIOKDI-UHFFFAOYSA-N 2 1 343.471 3.259 20 0 EGADMP O=c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)c[nH]1 ZINC001139467383 1377888604 /nfs/dbraw/zinc/88/86/04/1377888604.db2.gz IHXRDZIHCSMZRV-UHFFFAOYSA-N 2 1 343.496 3.337 20 0 EGADMP Cn1ncc2ccc(C[N@@H+](C)Cc3ccc(-n4ccnc4)cc3)cc21 ZINC001139911774 1377976500 /nfs/dbraw/zinc/97/65/00/1377976500.db2.gz ZGLNVBLNUHZGPZ-UHFFFAOYSA-N 2 1 331.423 3.391 20 0 EGADMP C[N@H+]1CC[C@@]2(CCN(Cc3c[nH]c4cccc(Br)c34)C2)C1 ZINC001139965871 1377984720 /nfs/dbraw/zinc/98/47/20/1377984720.db2.gz CXRPMIWQRVXHDG-QGZVFWFLSA-N 2 1 348.288 3.458 20 0 EGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC001140143531 1378019710 /nfs/dbraw/zinc/01/97/10/1378019710.db2.gz MRKYYVDRPWLPSA-FQEVSTJZSA-N 2 1 339.483 3.310 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC001140143531 1378019712 /nfs/dbraw/zinc/01/97/12/1378019712.db2.gz MRKYYVDRPWLPSA-FQEVSTJZSA-N 2 1 339.483 3.310 20 0 EGADMP C[N@@H+](Cc1sc(N2CCCC2)nc1Cl)CC1CC[NH+](C)CC1 ZINC001140364782 1378053093 /nfs/dbraw/zinc/05/30/93/1378053093.db2.gz KZBJNSNJLCISAJ-UHFFFAOYSA-N 2 1 342.940 3.170 20 0 EGADMP C[N@H+](Cc1sc(N2CCCC2)nc1Cl)CC1CC[NH+](C)CC1 ZINC001140364782 1378053097 /nfs/dbraw/zinc/05/30/97/1378053097.db2.gz KZBJNSNJLCISAJ-UHFFFAOYSA-N 2 1 342.940 3.170 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5n[nH]cc5c4)C[C@@H]3C2)cc1 ZINC001140385550 1378055320 /nfs/dbraw/zinc/05/53/20/1378055320.db2.gz FFAFQQNRVDRJDI-SFTDATJTSA-N 2 1 346.478 3.435 20 0 EGADMP CC(C)=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCC[NH+]1CCCCC1 ZINC001272717179 1378079609 /nfs/dbraw/zinc/07/96/09/1378079609.db2.gz QORZAGWEQINPKI-OAQYLSRUSA-N 2 1 347.547 3.286 20 0 EGADMP CC(C)=CCN1C[C@]2(CC1=O)CCCC[N@H+]2CCC[NH+]1CCCCC1 ZINC001272717179 1378079611 /nfs/dbraw/zinc/07/96/11/1378079611.db2.gz QORZAGWEQINPKI-OAQYLSRUSA-N 2 1 347.547 3.286 20 0 EGADMP Cn1cnc2ccc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)cc21 ZINC001140746297 1378129184 /nfs/dbraw/zinc/12/91/84/1378129184.db2.gz HUSLUFZDEREUKE-WOJBJXKFSA-N 2 1 346.478 3.137 20 0 EGADMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccc3ccsc3c1)C2 ZINC001275533138 1378141380 /nfs/dbraw/zinc/14/13/80/1378141380.db2.gz YGNKCRLQSUDMTC-UHFFFAOYSA-N 2 1 343.540 3.361 20 0 EGADMP c1cc(C[N@@H+]2CCC[C@@]3(CCCN(Cc4cn[nH]c4)C3)C2)cs1 ZINC001275866989 1378160151 /nfs/dbraw/zinc/16/01/51/1378160151.db2.gz WHBWKFIYOLTTBO-GOSISDBHSA-N 2 1 330.501 3.349 20 0 EGADMP c1cc(CN2CCC[C@@]3(CCC[N@H+](Cc4cn[nH]c4)C3)C2)cs1 ZINC001275866989 1378160153 /nfs/dbraw/zinc/16/01/53/1378160153.db2.gz WHBWKFIYOLTTBO-GOSISDBHSA-N 2 1 330.501 3.349 20 0 EGADMP C[N@H+](Cc1ccc(OC(F)(F)F)c(F)c1)CC1CC[NH+](C)CC1 ZINC001140885268 1378168540 /nfs/dbraw/zinc/16/85/40/1378168540.db2.gz ZUGMUHVGBFIMST-UHFFFAOYSA-N 2 1 334.357 3.498 20 0 EGADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnco3)C[C@H]21 ZINC001140928589 1378183048 /nfs/dbraw/zinc/18/30/48/1378183048.db2.gz UGQLOUIZEHSALQ-ZTFGCOKTSA-N 2 1 331.485 3.469 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnco3)C[C@H]21 ZINC001140928589 1378183050 /nfs/dbraw/zinc/18/30/50/1378183050.db2.gz UGQLOUIZEHSALQ-ZTFGCOKTSA-N 2 1 331.485 3.469 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cnco3)C[C@H]21 ZINC001140928589 1378183052 /nfs/dbraw/zinc/18/30/52/1378183052.db2.gz UGQLOUIZEHSALQ-ZTFGCOKTSA-N 2 1 331.485 3.469 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnco3)C[C@H]21 ZINC001140928589 1378183054 /nfs/dbraw/zinc/18/30/54/1378183054.db2.gz UGQLOUIZEHSALQ-ZTFGCOKTSA-N 2 1 331.485 3.469 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC001140970955 1378196524 /nfs/dbraw/zinc/19/65/24/1378196524.db2.gz ASEHYZDXTUJGGS-MOPGFXCFSA-N 2 1 327.516 3.451 20 0 EGADMP Cc1cccc2c1CC[N@H+](Cc1ccccc1N1CC[NH+](C)CC1)C2 ZINC001140968238 1378196535 /nfs/dbraw/zinc/19/65/35/1378196535.db2.gz ICYHRBCJHSCCAM-UHFFFAOYSA-N 2 1 335.495 3.305 20 0 EGADMP CC(C)(C)c1cccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC001141106066 1378241101 /nfs/dbraw/zinc/24/11/01/1378241101.db2.gz MHQVXCRFWIHLRP-UHFFFAOYSA-N 2 1 329.532 3.198 20 0 EGADMP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cocn2)CC3)c1 ZINC001141128860 1378245217 /nfs/dbraw/zinc/24/52/17/1378245217.db2.gz MGDATCSCQYNVJH-UHFFFAOYSA-N 2 1 341.455 3.171 20 0 EGADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cocn2)CC3)c1 ZINC001141128860 1378245221 /nfs/dbraw/zinc/24/52/21/1378245221.db2.gz MGDATCSCQYNVJH-UHFFFAOYSA-N 2 1 341.455 3.171 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@]3(CCC[C@H]3C(=O)NC(C)(C)C)C2)CC1 ZINC001278021936 1378254999 /nfs/dbraw/zinc/25/49/99/1378254999.db2.gz OBSNMJCHKSVSPH-UWJYYQICSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[C@H](C)C[N@H+]1CC[C@@]2(CCC[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001278148276 1378259959 /nfs/dbraw/zinc/25/99/59/1378259959.db2.gz MULMQMHTNUCSRT-DSKINZAPSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C)c(C)c2)[C@H]1C ZINC001278526822 1378280603 /nfs/dbraw/zinc/28/06/03/1378280603.db2.gz NCESLVMRKAVMKM-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)[C@H]1C ZINC001278526822 1378280606 /nfs/dbraw/zinc/28/06/06/1378280606.db2.gz NCESLVMRKAVMKM-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C)c(C)c2)[C@H]1C ZINC001278526822 1378280613 /nfs/dbraw/zinc/28/06/13/1378280613.db2.gz NCESLVMRKAVMKM-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001280367968 1378344437 /nfs/dbraw/zinc/34/44/37/1378344437.db2.gz XTXKXKZFQMUUQX-FHWLQOOXSA-N 2 1 337.552 3.027 20 0 EGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc3cccnc3cc2F)CC1 ZINC001141637355 1378355821 /nfs/dbraw/zinc/35/58/21/1378355821.db2.gz ZCZYMSLSHUPTNA-UHFFFAOYSA-N 2 1 336.414 3.400 20 0 EGADMP Cc1cc(N2CC[NH+](Cc3ccc4cc(F)ccc4n3)CC2)cc[nH+]1 ZINC001141653068 1378358735 /nfs/dbraw/zinc/35/87/35/1378358735.db2.gz YZDUQTWDFCIALM-UHFFFAOYSA-N 2 1 336.414 3.400 20 0 EGADMP C[NH+]1CCC2(C[NH+](Cc3cc(OC(F)(F)F)ccc3F)C2)CC1 ZINC001143551408 1378615411 /nfs/dbraw/zinc/61/54/11/1378615411.db2.gz XCRZQGYFWOSXOK-UHFFFAOYSA-N 2 1 332.341 3.252 20 0 EGADMP CCc1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1 ZINC001144321180 1378716378 /nfs/dbraw/zinc/71/63/78/1378716378.db2.gz BVZHJDBFHSGKBI-YADHBBJMSA-N 2 1 342.527 3.429 20 0 EGADMP CCc1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)c1 ZINC001144321180 1378716381 /nfs/dbraw/zinc/71/63/81/1378716381.db2.gz BVZHJDBFHSGKBI-YADHBBJMSA-N 2 1 342.527 3.429 20 0 EGADMP c1[nH+]c(CN2[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)c2ccccn12 ZINC001144617410 1378751320 /nfs/dbraw/zinc/75/13/20/1378751320.db2.gz ZIKCIJWLVUZMRV-KDURUIRLSA-N 2 1 332.451 3.183 20 0 EGADMP c1[nH+]c(CN2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)c2ccccn12 ZINC001144617410 1378751323 /nfs/dbraw/zinc/75/13/23/1378751323.db2.gz ZIKCIJWLVUZMRV-KDURUIRLSA-N 2 1 332.451 3.183 20 0 EGADMP Cc1cc(C)c(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001146591023 1378873786 /nfs/dbraw/zinc/87/37/86/1378873786.db2.gz FOPSWNWNQCOLHA-MOPGFXCFSA-N 2 1 347.547 3.325 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1ccccc1C ZINC001147357989 1379008653 /nfs/dbraw/zinc/00/86/53/1379008653.db2.gz BTDBQCLCNJOHEM-AZUAARDMSA-N 2 1 345.531 3.416 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1ccccc1 ZINC001147359378 1379009113 /nfs/dbraw/zinc/00/91/13/1379009113.db2.gz PZLYTKNHCFSBFB-IEBWSBKVSA-N 2 1 331.504 3.108 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001147359963 1379009164 /nfs/dbraw/zinc/00/91/64/1379009164.db2.gz XZWXARYMUAMTAX-AZUAARDMSA-N 2 1 345.531 3.416 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001147359950 1379009175 /nfs/dbraw/zinc/00/91/75/1379009175.db2.gz XSFKILVOOWDPKO-LPHOPBHVSA-N 2 1 349.494 3.247 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH2+]CCCC1CCCC1)c1ccccc1 ZINC001147456981 1379025166 /nfs/dbraw/zinc/02/51/66/1379025166.db2.gz BFSVTSDVRSKHGY-HXUWFJFHSA-N 2 1 345.531 3.356 20 0 EGADMP CC[C@@H](C)C[N@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc2C1 ZINC001327695972 1388585267 /nfs/dbraw/zinc/58/52/67/1388585267.db2.gz MRHHLCVKOQJIFS-DNVCBOLYSA-N 2 1 331.504 3.005 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147717394 1379065148 /nfs/dbraw/zinc/06/51/48/1379065148.db2.gz WLRJFCRDFIMLAE-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147717394 1379065150 /nfs/dbraw/zinc/06/51/50/1379065150.db2.gz WLRJFCRDFIMLAE-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147717394 1379065151 /nfs/dbraw/zinc/06/51/51/1379065151.db2.gz WLRJFCRDFIMLAE-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)CC[NH+]([C@@H](C)c1ccccc1)C2 ZINC001147813393 1379084869 /nfs/dbraw/zinc/08/48/69/1379084869.db2.gz ZXFNYSBWYPYIAJ-KRWDZBQOSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1ccccc1)C2 ZINC001147813393 1379084872 /nfs/dbraw/zinc/08/48/72/1379084872.db2.gz ZXFNYSBWYPYIAJ-KRWDZBQOSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1ccccc1)C2 ZINC001147813393 1379084873 /nfs/dbraw/zinc/08/48/73/1379084873.db2.gz ZXFNYSBWYPYIAJ-KRWDZBQOSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001148605722 1379224374 /nfs/dbraw/zinc/22/43/74/1379224374.db2.gz SRQXVHXBMHFKBH-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC001148656227 1379234998 /nfs/dbraw/zinc/23/49/98/1379234998.db2.gz XOUOQIUDZHDFTL-LBPRGKRZSA-N 2 1 346.302 3.102 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCC1=CCCCC1)C2 ZINC001148657573 1379235606 /nfs/dbraw/zinc/23/56/06/1379235606.db2.gz YDOHNZUPVNYHJU-UHFFFAOYSA-N 2 1 347.547 3.143 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CCC1=CCCCC1)C2 ZINC001148657573 1379235608 /nfs/dbraw/zinc/23/56/08/1379235608.db2.gz YDOHNZUPVNYHJU-UHFFFAOYSA-N 2 1 347.547 3.143 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CCC1=CCCCC1)C2 ZINC001148657573 1379235614 /nfs/dbraw/zinc/23/56/14/1379235614.db2.gz YDOHNZUPVNYHJU-UHFFFAOYSA-N 2 1 347.547 3.143 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+]([C@@H](C)c1ccccc1)C2 ZINC001148656906 1379235626 /nfs/dbraw/zinc/23/56/26/1379235626.db2.gz IOSNETYSARFUQL-SFHVURJKSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1ccccc1)C2 ZINC001148656906 1379235630 /nfs/dbraw/zinc/23/56/30/1379235630.db2.gz IOSNETYSARFUQL-SFHVURJKSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1ccccc1)C2 ZINC001148656906 1379235634 /nfs/dbraw/zinc/23/56/34/1379235634.db2.gz IOSNETYSARFUQL-SFHVURJKSA-N 2 1 343.515 3.014 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001148777177 1379266220 /nfs/dbraw/zinc/26/62/20/1379266220.db2.gz IXAGUELEEUAHAZ-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C)cc2C)[C@@H]1C ZINC001284155239 1379552002 /nfs/dbraw/zinc/55/20/02/1379552002.db2.gz UEGOZRVAENYJMJ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)cc2C)[C@@H]1C ZINC001284155239 1379552003 /nfs/dbraw/zinc/55/20/03/1379552003.db2.gz UEGOZRVAENYJMJ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2C)[C@@H]1C ZINC001284155239 1379552004 /nfs/dbraw/zinc/55/20/04/1379552004.db2.gz UEGOZRVAENYJMJ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001754354528 1440591279 /nfs/dbraw/zinc/59/12/79/1440591279.db2.gz SWQIZFPQBIQJGM-IAGOWNOFSA-N 2 1 325.541 3.029 20 0 EGADMP CC[N@@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313473 1380053763 /nfs/dbraw/zinc/05/37/63/1380053763.db2.gz SFBMJYHXELFGKO-QUCCMNQESA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](Cc1cccc(C)c1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153313473 1380053767 /nfs/dbraw/zinc/05/37/67/1380053767.db2.gz SFBMJYHXELFGKO-QUCCMNQESA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](Cc1cccc(C)c1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153313473 1380053772 /nfs/dbraw/zinc/05/37/72/1380053772.db2.gz SFBMJYHXELFGKO-QUCCMNQESA-N 2 1 345.531 3.194 20 0 EGADMP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153388215 1380067876 /nfs/dbraw/zinc/06/78/76/1380067876.db2.gz WHYGDEJFUIQDMP-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1F ZINC001153728680 1380119510 /nfs/dbraw/zinc/11/95/10/1380119510.db2.gz RFKIMASBCUUZTP-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1F ZINC001153728680 1380119511 /nfs/dbraw/zinc/11/95/11/1380119511.db2.gz RFKIMASBCUUZTP-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1F ZINC001153728680 1380119512 /nfs/dbraw/zinc/11/95/12/1380119512.db2.gz RFKIMASBCUUZTP-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854538 1380144317 /nfs/dbraw/zinc/14/43/17/1380144317.db2.gz HXBRNEAONGRXFB-GOSISDBHSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153854538 1380144318 /nfs/dbraw/zinc/14/43/18/1380144318.db2.gz HXBRNEAONGRXFB-GOSISDBHSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153854538 1380144319 /nfs/dbraw/zinc/14/43/19/1380144319.db2.gz HXBRNEAONGRXFB-GOSISDBHSA-N 2 1 345.531 3.114 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCC1CCCC1)[NH+](C)C ZINC001154001234 1380174906 /nfs/dbraw/zinc/17/49/06/1380174906.db2.gz PXUAJPNJLFLEDW-SJLPKXTDSA-N 2 1 325.541 3.124 20 0 EGADMP CCc1ccc(C[N@H+](CC)[C@H](C)CNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001154034229 1380188421 /nfs/dbraw/zinc/18/84/21/1380188421.db2.gz XDPPXOQBZGHHIS-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[NH+](CC)[C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001154034229 1380188425 /nfs/dbraw/zinc/18/84/25/1380188425.db2.gz XDPPXOQBZGHHIS-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[NH+](CC)[C@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001154034229 1380188426 /nfs/dbraw/zinc/18/84/26/1380188426.db2.gz XDPPXOQBZGHHIS-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C)cc1 ZINC001154069575 1380198677 /nfs/dbraw/zinc/19/86/77/1380198677.db2.gz GZPVZKFISMWICU-QGZVFWFLSA-N 2 1 333.520 3.052 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154069575 1380198679 /nfs/dbraw/zinc/19/86/79/1380198679.db2.gz GZPVZKFISMWICU-QGZVFWFLSA-N 2 1 333.520 3.052 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154069575 1380198683 /nfs/dbraw/zinc/19/86/83/1380198683.db2.gz GZPVZKFISMWICU-QGZVFWFLSA-N 2 1 333.520 3.052 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178710 1380221830 /nfs/dbraw/zinc/22/18/30/1380221830.db2.gz MMEAUEMKQMANTB-MWWKQMNYSA-N 2 1 328.460 3.131 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](CC)CCC(C)(C)C)C1 ZINC001154784807 1380350513 /nfs/dbraw/zinc/35/05/13/1380350513.db2.gz LZPFKBOHPGCNQR-MSOLQXFVSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCC(C)(C)C)C1 ZINC001154784807 1380350514 /nfs/dbraw/zinc/35/05/14/1380350514.db2.gz LZPFKBOHPGCNQR-MSOLQXFVSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)(C)C)C1 ZINC001154784807 1380350516 /nfs/dbraw/zinc/35/05/16/1380350516.db2.gz LZPFKBOHPGCNQR-MSOLQXFVSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844723 1380363859 /nfs/dbraw/zinc/36/38/59/1380363859.db2.gz WNRKSFZSTZNPEG-SCTDSRPQSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CCCCC1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001154844723 1380363863 /nfs/dbraw/zinc/36/38/63/1380363863.db2.gz WNRKSFZSTZNPEG-SCTDSRPQSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CCCCC1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001154844723 1380363866 /nfs/dbraw/zinc/36/38/66/1380363866.db2.gz WNRKSFZSTZNPEG-SCTDSRPQSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](Cc1c(C)cc(C)cc1C)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904194 1380374669 /nfs/dbraw/zinc/37/46/69/1380374669.db2.gz OSPDXHMHEJQFTN-LJQANCHMSA-N 2 1 347.547 3.280 20 0 EGADMP CC[N@@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155262759 1380430030 /nfs/dbraw/zinc/43/00/30/1380430030.db2.gz GWNFZMTXRJTQRD-QGZVFWFLSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001155262759 1380430031 /nfs/dbraw/zinc/43/00/31/1380430031.db2.gz GWNFZMTXRJTQRD-QGZVFWFLSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001155262759 1380430032 /nfs/dbraw/zinc/43/00/32/1380430032.db2.gz GWNFZMTXRJTQRD-QGZVFWFLSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCc1cccc(C)c1)[NH+](C)C ZINC001155289392 1380434021 /nfs/dbraw/zinc/43/40/21/1380434021.db2.gz QBTBVQDORRJVIC-QUCCMNQESA-N 2 1 347.547 3.094 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1c(C)cc(C)cc1C)[NH+](C)C ZINC001155289693 1380434063 /nfs/dbraw/zinc/43/40/63/1380434063.db2.gz VIVFOMVFQHSXIM-QUCCMNQESA-N 2 1 347.547 3.279 20 0 EGADMP CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001155612542 1380473905 /nfs/dbraw/zinc/47/39/05/1380473905.db2.gz XYMHKJNABQNHSY-QZTJIDSGSA-N 2 1 343.531 3.217 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155630671 1380476168 /nfs/dbraw/zinc/47/61/68/1380476168.db2.gz DMEQHBULDIIZNG-GOSISDBHSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001328079672 1388663428 /nfs/dbraw/zinc/66/34/28/1388663428.db2.gz DYPMPRLQROUCHD-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](Cc1ccc(Cl)s1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156201158 1380541378 /nfs/dbraw/zinc/54/13/78/1380541378.db2.gz XFUXLMFVVSMZIQ-CYBMUJFWSA-N 2 1 345.940 3.070 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(Cl)s1 ZINC001156201158 1380541380 /nfs/dbraw/zinc/54/13/80/1380541380.db2.gz XFUXLMFVVSMZIQ-CYBMUJFWSA-N 2 1 345.940 3.070 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(Cl)s1 ZINC001156201158 1380541381 /nfs/dbraw/zinc/54/13/81/1380541381.db2.gz XFUXLMFVVSMZIQ-CYBMUJFWSA-N 2 1 345.940 3.070 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](F)CC ZINC001156318858 1380557158 /nfs/dbraw/zinc/55/71/58/1380557158.db2.gz JSYAFNZSSBSWJM-MSOLQXFVSA-N 2 1 345.547 3.463 20 0 EGADMP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374548 1380566737 /nfs/dbraw/zinc/56/67/37/1380566737.db2.gz RZNNWOVGBDZGHP-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156374548 1380566739 /nfs/dbraw/zinc/56/67/39/1380566739.db2.gz RZNNWOVGBDZGHP-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156374548 1380566741 /nfs/dbraw/zinc/56/67/41/1380566741.db2.gz RZNNWOVGBDZGHP-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156466812 1380579651 /nfs/dbraw/zinc/57/96/51/1380579651.db2.gz WCXNWHOLQHTTCP-GOSISDBHSA-N 2 1 333.520 3.054 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1Cl ZINC001156525697 1380588036 /nfs/dbraw/zinc/58/80/36/1380588036.db2.gz VBFXSBOZRRKUNO-OAHLLOKOSA-N 2 1 339.911 3.008 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1Cl ZINC001156525697 1380588037 /nfs/dbraw/zinc/58/80/37/1380588037.db2.gz VBFXSBOZRRKUNO-OAHLLOKOSA-N 2 1 339.911 3.008 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1Cl ZINC001156525697 1380588038 /nfs/dbraw/zinc/58/80/38/1380588038.db2.gz VBFXSBOZRRKUNO-OAHLLOKOSA-N 2 1 339.911 3.008 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C2CC2)cc1 ZINC001156530018 1380588606 /nfs/dbraw/zinc/58/86/06/1380588606.db2.gz HIFARQYAYWIMCO-QGZVFWFLSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C2CC2)cc1 ZINC001156530018 1380588607 /nfs/dbraw/zinc/58/86/07/1380588607.db2.gz HIFARQYAYWIMCO-QGZVFWFLSA-N 2 1 345.531 3.232 20 0 EGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N[C@H]2CC[N@H+](C)C2)n1 ZINC001156580763 1380596417 /nfs/dbraw/zinc/59/64/17/1380596417.db2.gz LLSQYISNVDKOQX-AWEZNQCLSA-N 2 1 347.532 3.266 20 0 EGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N[C@H]2CC[N@@H+](C)C2)n1 ZINC001156580763 1380596418 /nfs/dbraw/zinc/59/64/18/1380596418.db2.gz LLSQYISNVDKOQX-AWEZNQCLSA-N 2 1 347.532 3.266 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C)CC1(C)C ZINC001328099558 1388671645 /nfs/dbraw/zinc/67/16/45/1388671645.db2.gz WMXNZBDGINDAIU-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C)CC1(C)C ZINC001328099558 1388671651 /nfs/dbraw/zinc/67/16/51/1388671651.db2.gz WMXNZBDGINDAIU-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C)CC1(C)C ZINC001328099558 1388671656 /nfs/dbraw/zinc/67/16/56/1388671656.db2.gz WMXNZBDGINDAIU-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP C[C@@H](c1ccccc1Cl)N(C)c1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001157368127 1380856124 /nfs/dbraw/zinc/85/61/24/1380856124.db2.gz QINFZASZKZHCFD-ZDUSSCGKSA-N 2 1 345.878 3.255 20 0 EGADMP CCC[N@H+]1C[C@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)C[C@H]2C1 ZINC001157693465 1381004592 /nfs/dbraw/zinc/00/45/92/1381004592.db2.gz ZUSJSDWKBJHECH-IYBDPMFKSA-N 2 1 339.487 3.324 20 0 EGADMP CCC[N@@H+]1C[C@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)C[C@H]2C1 ZINC001157693465 1381004599 /nfs/dbraw/zinc/00/45/99/1381004599.db2.gz ZUSJSDWKBJHECH-IYBDPMFKSA-N 2 1 339.487 3.324 20 0 EGADMP C[N@@H+](Cc1ccc(N(CC(C)(C)C)C2CC[NH2+]CC2)nc1)C1CC1 ZINC001157891939 1381061757 /nfs/dbraw/zinc/06/17/57/1381061757.db2.gz ZHNHXSXSKCNFDI-UHFFFAOYSA-N 2 1 330.520 3.280 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001157893396 1381063057 /nfs/dbraw/zinc/06/30/57/1381063057.db2.gz FFDFAHRDBWFKQJ-HXUWFJFHSA-N 2 1 343.515 3.033 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001157957582 1381081286 /nfs/dbraw/zinc/08/12/86/1381081286.db2.gz FLMFSCBXBQSVDQ-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001157957582 1381081291 /nfs/dbraw/zinc/08/12/91/1381081291.db2.gz FLMFSCBXBQSVDQ-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001157957582 1381081295 /nfs/dbraw/zinc/08/12/95/1381081295.db2.gz FLMFSCBXBQSVDQ-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001158038605 1381109592 /nfs/dbraw/zinc/10/95/92/1381109592.db2.gz QAFKPHOVKVNEQU-OALUTQOASA-N 2 1 349.563 3.173 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158185246 1381151240 /nfs/dbraw/zinc/15/12/40/1381151240.db2.gz FIOGFFUHQFTPPQ-SJLPKXTDSA-N 2 1 342.487 3.307 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186776 1381151791 /nfs/dbraw/zinc/15/17/91/1381151791.db2.gz XLNMZBBRPFXNNI-GOSISDBHSA-N 2 1 342.487 3.307 20 0 EGADMP CCC/C=C/CC[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001158353920 1381212713 /nfs/dbraw/zinc/21/27/13/1381212713.db2.gz ALFRPHMPICNGOM-OZSKJFCKSA-N 2 1 334.508 3.239 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH2+]CCCC1CCC1 ZINC001158354235 1381214295 /nfs/dbraw/zinc/21/42/95/1381214295.db2.gz FNXPIUXCSMEFDN-MRXNPFEDSA-N 2 1 334.508 3.073 20 0 EGADMP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001158385398 1381227641 /nfs/dbraw/zinc/22/76/41/1381227641.db2.gz GRFUWTPKJFHMGF-HWYAZIHESA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001158385398 1381227646 /nfs/dbraw/zinc/22/76/46/1381227646.db2.gz GRFUWTPKJFHMGF-HWYAZIHESA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001158385398 1381227651 /nfs/dbraw/zinc/22/76/51/1381227651.db2.gz GRFUWTPKJFHMGF-HWYAZIHESA-N 2 1 349.563 3.386 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158411275 1381237187 /nfs/dbraw/zinc/23/71/87/1381237187.db2.gz DHXIURXJBYBJLP-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001158555653 1381296836 /nfs/dbraw/zinc/29/68/36/1381296836.db2.gz WJCWZJREDAYIEP-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158751593 1381382660 /nfs/dbraw/zinc/38/26/60/1381382660.db2.gz ZLEGMTANUFHENZ-NHQAVIFJSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001158751593 1381382665 /nfs/dbraw/zinc/38/26/65/1381382665.db2.gz ZLEGMTANUFHENZ-NHQAVIFJSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001158751593 1381382675 /nfs/dbraw/zinc/38/26/75/1381382675.db2.gz ZLEGMTANUFHENZ-NHQAVIFJSA-N 2 1 349.563 3.388 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CCC2=CCCCC2)CC1 ZINC001159628361 1381852072 /nfs/dbraw/zinc/85/20/72/1381852072.db2.gz GVSOAIPMTYDTOQ-HXUWFJFHSA-N 2 1 345.531 3.110 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CCC2=CCCCC2)CC1 ZINC001159628361 1381852077 /nfs/dbraw/zinc/85/20/77/1381852077.db2.gz GVSOAIPMTYDTOQ-HXUWFJFHSA-N 2 1 345.531 3.110 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CCC2=CCCCC2)CC1 ZINC001159628361 1381852082 /nfs/dbraw/zinc/85/20/82/1381852082.db2.gz GVSOAIPMTYDTOQ-HXUWFJFHSA-N 2 1 345.531 3.110 20 0 EGADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(NCC[C@@H](C)[NH3+])c2c1C ZINC001159778239 1381896629 /nfs/dbraw/zinc/89/66/29/1381896629.db2.gz JIGDXCOIBNWCTA-GFCCVEGCSA-N 2 1 347.532 3.443 20 0 EGADMP [NH3+][C@@H]1CCCN(c2ccccc2Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC001159982095 1381958311 /nfs/dbraw/zinc/95/83/11/1381958311.db2.gz IFQZGWGSNVDLHN-GFCCVEGCSA-N 2 1 336.361 3.193 20 0 EGADMP [NH3+]C1CN(c2cccc(NC3=CC[N@@H+](Cc4ccccc4)CC3)c2)C1 ZINC001159989138 1381961086 /nfs/dbraw/zinc/96/10/86/1381961086.db2.gz MDADWBGVMIHRBK-UHFFFAOYSA-N 2 1 334.467 3.036 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175159 1382025406 /nfs/dbraw/zinc/02/54/06/1382025406.db2.gz CGIWBYXKWJXQNI-CWHLKURSSA-N 2 1 347.547 3.211 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175159 1382025409 /nfs/dbraw/zinc/02/54/09/1382025409.db2.gz CGIWBYXKWJXQNI-CWHLKURSSA-N 2 1 347.547 3.211 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175159 1382025412 /nfs/dbraw/zinc/02/54/12/1382025412.db2.gz CGIWBYXKWJXQNI-CWHLKURSSA-N 2 1 347.547 3.211 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccccc1O[C@@H]1CCC[NH2+]C1 ZINC001160234238 1382042541 /nfs/dbraw/zinc/04/25/41/1382042541.db2.gz VGHAQSWZQPWGGI-OAHLLOKOSA-N 2 1 326.444 3.330 20 0 EGADMP Cc1cc(C)c(C[NH2+]CCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC001160268049 1382056629 /nfs/dbraw/zinc/05/66/29/1382056629.db2.gz USQLVUWBNFFHAF-IBGZPJMESA-N 2 1 345.531 3.082 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353050 1382080692 /nfs/dbraw/zinc/08/06/92/1382080692.db2.gz OKSKHHLVPLYPSU-ICSRJNTNSA-N 2 1 349.563 3.149 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160353050 1382080705 /nfs/dbraw/zinc/08/07/05/1382080705.db2.gz OKSKHHLVPLYPSU-ICSRJNTNSA-N 2 1 349.563 3.149 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001160353050 1382080711 /nfs/dbraw/zinc/08/07/11/1382080711.db2.gz OKSKHHLVPLYPSU-ICSRJNTNSA-N 2 1 349.563 3.149 20 0 EGADMP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001328492221 1388762617 /nfs/dbraw/zinc/76/26/17/1388762617.db2.gz MGFFZEXEBBGKLN-MRXNPFEDSA-N 2 1 329.488 3.042 20 0 EGADMP CC[C@H](C(=O)NCCC1=CC[N@@H+](CCCC2CCCC2)CC1)[NH+](C)C ZINC001160473959 1382117720 /nfs/dbraw/zinc/11/77/20/1382117720.db2.gz UUHMVPXVHJKDJF-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP Cc1csc2c1nc(Cl)cc2N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160512986 1382127227 /nfs/dbraw/zinc/12/72/27/1382127227.db2.gz HVRPWVSGLHKDAW-MRXNPFEDSA-N 2 1 336.892 3.093 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160518990 1382129003 /nfs/dbraw/zinc/12/90/03/1382129003.db2.gz UUGCDRQKTWKLPK-UHFFFAOYSA-N 2 1 337.552 3.291 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001160518990 1382129007 /nfs/dbraw/zinc/12/90/07/1382129007.db2.gz UUGCDRQKTWKLPK-UHFFFAOYSA-N 2 1 337.552 3.291 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001160518990 1382129009 /nfs/dbraw/zinc/12/90/09/1382129009.db2.gz UUGCDRQKTWKLPK-UHFFFAOYSA-N 2 1 337.552 3.291 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCC1=CC[NH+](CC2CC2)CC1 ZINC001160559363 1382141796 /nfs/dbraw/zinc/14/17/96/1382141796.db2.gz GVYCLZYGRLZVCO-UHFFFAOYSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)NCCC1=CC[N@H+](CC2CC2)CC1 ZINC001160559363 1382141799 /nfs/dbraw/zinc/14/17/99/1382141799.db2.gz GVYCLZYGRLZVCO-UHFFFAOYSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)NCCC1=CC[N@@H+](CC2CC2)CC1 ZINC001160559363 1382141803 /nfs/dbraw/zinc/14/18/03/1382141803.db2.gz GVYCLZYGRLZVCO-UHFFFAOYSA-N 2 1 347.547 3.188 20 0 EGADMP COc1ccc2cc[nH+]c(N[C@H]3CC[NH2+]C[C@H]3C(F)(F)F)c2c1 ZINC001160738141 1382182272 /nfs/dbraw/zinc/18/22/72/1382182272.db2.gz JMMCFEARCZTRKL-KGLIPLIRSA-N 2 1 325.334 3.196 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160868264 1382219997 /nfs/dbraw/zinc/21/99/97/1382219997.db2.gz LEXCJIOOTOXPBT-WOJBJXKFSA-N 2 1 349.563 3.460 20 0 EGADMP C[N@@H+]1CCC[C@@H]1CCNc1[nH+]cnc2c1ccn2Cc1ccccc1 ZINC001160963326 1382253133 /nfs/dbraw/zinc/25/31/33/1382253133.db2.gz FGRUDLQZVMHSCG-QGZVFWFLSA-N 2 1 335.455 3.376 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCNc1[nH+]cnc2c1ccn2Cc1ccccc1 ZINC001160963326 1382253135 /nfs/dbraw/zinc/25/31/35/1382253135.db2.gz FGRUDLQZVMHSCG-QGZVFWFLSA-N 2 1 335.455 3.376 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC2=CC[NH+](C[C@H](C)CC)CC2)C1 ZINC001160986056 1382261218 /nfs/dbraw/zinc/26/12/18/1382261218.db2.gz LLZYSKTWUVRXLG-QUCCMNQESA-N 2 1 349.563 3.293 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCCC2=CC[N@H+](C[C@H](C)CC)CC2)C1 ZINC001160986056 1382261219 /nfs/dbraw/zinc/26/12/19/1382261219.db2.gz LLZYSKTWUVRXLG-QUCCMNQESA-N 2 1 349.563 3.293 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCCC2=CC[N@@H+](C[C@H](C)CC)CC2)C1 ZINC001160986056 1382261222 /nfs/dbraw/zinc/26/12/22/1382261222.db2.gz LLZYSKTWUVRXLG-QUCCMNQESA-N 2 1 349.563 3.293 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161008341 1382269936 /nfs/dbraw/zinc/26/99/36/1382269936.db2.gz MBXMEJATVIVMQW-YZKSSJSGSA-N 2 1 347.547 3.211 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001161008341 1382269943 /nfs/dbraw/zinc/26/99/43/1382269943.db2.gz MBXMEJATVIVMQW-YZKSSJSGSA-N 2 1 347.547 3.211 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001161008341 1382269946 /nfs/dbraw/zinc/26/99/46/1382269946.db2.gz MBXMEJATVIVMQW-YZKSSJSGSA-N 2 1 347.547 3.211 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001161213428 1382343568 /nfs/dbraw/zinc/34/35/68/1382343568.db2.gz IDGUMBDEKWDOCF-LJQANCHMSA-N 2 1 337.552 3.435 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444607 1382412939 /nfs/dbraw/zinc/41/29/39/1382412939.db2.gz HZQALMYNXFZJTN-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001161444607 1382412942 /nfs/dbraw/zinc/41/29/42/1382412942.db2.gz HZQALMYNXFZJTN-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001161444607 1382412944 /nfs/dbraw/zinc/41/29/44/1382412944.db2.gz HZQALMYNXFZJTN-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444828 1382413312 /nfs/dbraw/zinc/41/33/12/1382413312.db2.gz MUZOZKIVKFVNBT-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001161444828 1382413314 /nfs/dbraw/zinc/41/33/14/1382413314.db2.gz MUZOZKIVKFVNBT-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001161444828 1382413320 /nfs/dbraw/zinc/41/33/20/1382413320.db2.gz MUZOZKIVKFVNBT-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001161650543 1382470872 /nfs/dbraw/zinc/47/08/72/1382470872.db2.gz HQHWNGOPYKPXJD-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001161650543 1382470874 /nfs/dbraw/zinc/47/08/74/1382470874.db2.gz HQHWNGOPYKPXJD-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CC2CCCCC2)CC1 ZINC001161650543 1382470879 /nfs/dbraw/zinc/47/08/79/1382470879.db2.gz HQHWNGOPYKPXJD-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161705737 1382485840 /nfs/dbraw/zinc/48/58/40/1382485840.db2.gz XGKLETAQPYDGKD-VQTJNVASSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)(C)CC[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161938508 1382562680 /nfs/dbraw/zinc/56/26/80/1382562680.db2.gz OVXWLIOOIZTIQH-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001161952295 1382567922 /nfs/dbraw/zinc/56/79/22/1382567922.db2.gz FUOJTPVVCDCJPQ-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161952681 1382568761 /nfs/dbraw/zinc/56/87/61/1382568761.db2.gz IPOPEOJQYCFOSX-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161953039 1382569360 /nfs/dbraw/zinc/56/93/60/1382569360.db2.gz OYYZWWUMLAWHFP-QUCCMNQESA-N 2 1 349.563 3.291 20 0 EGADMP Cc1sc2nc(C[NH+](C)C)nc(N[C@H]3CCC[C@@H]([NH3+])C3)c2c1C ZINC001162391535 1382745999 /nfs/dbraw/zinc/74/59/99/1382745999.db2.gz BPLDRDIPNKRHNZ-OLZOCXBDSA-N 2 1 333.505 3.052 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001328693120 1388810370 /nfs/dbraw/zinc/81/03/70/1388810370.db2.gz GRFUTLNKDOGMJV-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP Cc1ccc(Cl)c(CNc2cc[nH+]c(N3CCC([NH3+])CC3)n2)c1F ZINC001163656757 1383096403 /nfs/dbraw/zinc/09/64/03/1383096403.db2.gz UWTGVZYVWJNNIP-UHFFFAOYSA-N 2 1 349.841 3.117 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CCCC(C)(C)C)C1 ZINC001164449363 1383187907 /nfs/dbraw/zinc/18/79/07/1383187907.db2.gz IWGKRHTWWISNDD-QGZVFWFLSA-N 2 1 325.541 3.031 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001164456375 1383188682 /nfs/dbraw/zinc/18/86/82/1383188682.db2.gz QQMGQDIONIJQSH-ICSRJNTNSA-N 2 1 345.531 3.274 20 0 EGADMP CC/C=C/CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164491241 1383192844 /nfs/dbraw/zinc/19/28/44/1383192844.db2.gz CSDDSWJFDRROIL-RTLBZRNLSA-N 2 1 335.536 3.236 20 0 EGADMP Cc1[nH]c2nc[nH+]c(N3CCC(C4CC[NH+](C)CC4)CC3)c2c1C ZINC001165065873 1383220435 /nfs/dbraw/zinc/22/04/35/1383220435.db2.gz PJGBPRAPFUWEMW-UHFFFAOYSA-N 2 1 327.476 3.133 20 0 EGADMP C[NH2+]Cc1cccc(Nc2cc(OC3CC[NH+](C)CC3)cc[nH+]2)c1 ZINC001165141223 1383236176 /nfs/dbraw/zinc/23/61/76/1383236176.db2.gz PVTJDTUCACGHEJ-UHFFFAOYSA-N 3 1 326.444 3.018 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001328749639 1388840681 /nfs/dbraw/zinc/84/06/81/1388840681.db2.gz NNYHKXCFGVMXAR-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001328749639 1388840684 /nfs/dbraw/zinc/84/06/84/1388840684.db2.gz NNYHKXCFGVMXAR-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001328749639 1388840686 /nfs/dbraw/zinc/84/06/86/1388840686.db2.gz NNYHKXCFGVMXAR-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP FC(F)(F)[C@H]1N(c2cc(C3CC3)cc[nH+]2)CCC12CC[NH2+]CC2 ZINC001165267114 1383262615 /nfs/dbraw/zinc/26/26/15/1383262615.db2.gz YGLDUCMVYCHSLY-HNNXBMFYSA-N 2 1 325.378 3.470 20 0 EGADMP Cc1[nH]c2nc[nH+]c(N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c2c1C ZINC001165422234 1383292584 /nfs/dbraw/zinc/29/25/84/1383292584.db2.gz QNXLFEGJPQSTHX-UTKZUKDTSA-N 2 1 347.466 3.158 20 0 EGADMP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165728774 1383334659 /nfs/dbraw/zinc/33/46/59/1383334659.db2.gz UCTRWNJGJCJQHH-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)C[N@H+]2CCC[C@@H]2C)cc1 ZINC001166627000 1383449647 /nfs/dbraw/zinc/44/96/47/1383449647.db2.gz NWSOIQYSJHZOCN-ROUUACIJSA-N 2 1 345.531 3.451 20 0 EGADMP C[N@@H+](CC(=O)NCCC[NH2+]CC1CCC2(CC2)CC1)CC(C)(C)C ZINC001166744384 1383470053 /nfs/dbraw/zinc/47/00/53/1383470053.db2.gz UJMIOTMYKLMRLS-UHFFFAOYSA-N 2 1 337.552 3.031 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)nn1 ZINC001166888816 1383494803 /nfs/dbraw/zinc/49/48/03/1383494803.db2.gz KWNCICRKKIBGMQ-SFHVURJKSA-N 2 1 348.454 3.220 20 0 EGADMP C[C@H]([NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1)c1ccccc1 ZINC001167224457 1383570363 /nfs/dbraw/zinc/57/03/63/1383570363.db2.gz KPTJKOGLQMQNED-ROUUACIJSA-N 2 1 343.515 3.108 20 0 EGADMP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001167377160 1383615728 /nfs/dbraw/zinc/61/57/28/1383615728.db2.gz MONJCLJJRIYBNH-QGZVFWFLSA-N 2 1 348.535 3.319 20 0 EGADMP Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC001167443108 1383635604 /nfs/dbraw/zinc/63/56/04/1383635604.db2.gz MRMCBZAFPDKGNS-GOSISDBHSA-N 2 1 347.478 3.413 20 0 EGADMP C[C@H](C(=O)N[C@@]1(C)CC[NH+](Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001300205944 1383652479 /nfs/dbraw/zinc/65/24/79/1383652479.db2.gz BFPXEVVLKZQSIC-IIMDRIAPSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001300205944 1383652481 /nfs/dbraw/zinc/65/24/81/1383652481.db2.gz BFPXEVVLKZQSIC-IIMDRIAPSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001300205944 1383652482 /nfs/dbraw/zinc/65/24/82/1383652482.db2.gz BFPXEVVLKZQSIC-IIMDRIAPSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[NH2+]CCCC1CCC1 ZINC001167581221 1383677791 /nfs/dbraw/zinc/67/77/91/1383677791.db2.gz TUPNAYQHJZNTFV-UHFFFAOYSA-N 2 1 334.508 3.073 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001167588439 1383682386 /nfs/dbraw/zinc/68/23/86/1383682386.db2.gz OQAVSJPZCKUSPN-UHFFFAOYSA-N 2 1 348.535 3.319 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167627007 1383692322 /nfs/dbraw/zinc/69/23/22/1383692322.db2.gz ISCMVFWSDYEOLR-MSOLQXFVSA-N 2 1 325.541 3.027 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001167636620 1383694782 /nfs/dbraw/zinc/69/47/82/1383694782.db2.gz WFXXBCKGUJUHDI-PMACEKPBSA-N 2 1 345.531 3.497 20 0 EGADMP CCCC[NH+](CCCC)CCNc1ccc(-n2cc[nH+]c2C)nn1 ZINC001167732730 1383725146 /nfs/dbraw/zinc/72/51/46/1383725146.db2.gz CUDDJWJZYWVRSQ-UHFFFAOYSA-N 2 1 330.480 3.285 20 0 EGADMP CC1CCC(C[NH2+]CC2(CCNC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001167736653 1383725733 /nfs/dbraw/zinc/72/57/33/1383725733.db2.gz FJURVJVCZDAWSL-ACBHZAAOSA-N 2 1 349.563 3.031 20 0 EGADMP COc1cc2[nH+]ccc(NCCC[N@H+]3CCCC[C@@H]3C)c2cc1OC ZINC001167753222 1383731823 /nfs/dbraw/zinc/73/18/23/1383731823.db2.gz MPZJCIBUAAGKGV-HNNXBMFYSA-N 2 1 343.471 3.350 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001167826443 1383750215 /nfs/dbraw/zinc/75/02/15/1383750215.db2.gz YLHZOJBYQRQGKC-KRWDZBQOSA-N 3 1 332.536 3.439 20 0 EGADMP CCOC(=O)C[C@@H]1CC[N@H+]([C@H](C)CCC[NH+](CC)CC)C[C@H]1C ZINC001167834814 1383753395 /nfs/dbraw/zinc/75/33/95/1383753395.db2.gz MWFCVRIETCFJDB-KURKYZTESA-N 2 1 326.525 3.408 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(C1)c1ccccc1N(C)C2=O ZINC001167828101 1383750808 /nfs/dbraw/zinc/75/08/08/1383750808.db2.gz WIOYYTDYOGBTAN-UWJYYQICSA-N 2 1 343.515 3.117 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001167839625 1383755906 /nfs/dbraw/zinc/75/59/06/1383755906.db2.gz AWLXDNNXLANHQP-IKGGRYGDSA-N 2 1 341.540 3.342 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001167838698 1383755951 /nfs/dbraw/zinc/75/59/51/1383755951.db2.gz WDLZHBXUJJDLIH-HRCADAONSA-N 2 1 345.503 3.044 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001167838698 1383755955 /nfs/dbraw/zinc/75/59/55/1383755955.db2.gz WDLZHBXUJJDLIH-HRCADAONSA-N 2 1 345.503 3.044 20 0 EGADMP c1ccc(CN2CC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167963855 1383780523 /nfs/dbraw/zinc/78/05/23/1383780523.db2.gz GGQGNPBSNXECHR-FRIKZZABSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2CC(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167963855 1383780524 /nfs/dbraw/zinc/78/05/24/1383780524.db2.gz GGQGNPBSNXECHR-FRIKZZABSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2CC(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167963855 1383780538 /nfs/dbraw/zinc/78/05/38/1383780538.db2.gz GGQGNPBSNXECHR-FRIKZZABSA-N 2 1 339.527 3.113 20 0 EGADMP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccc(Cl)c1 ZINC001167968199 1383781034 /nfs/dbraw/zinc/78/10/34/1383781034.db2.gz NWDGVLTXCQEMEJ-IPQPSQTFSA-N 2 1 334.891 3.368 20 0 EGADMP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc(Cl)c1 ZINC001167968199 1383781036 /nfs/dbraw/zinc/78/10/36/1383781036.db2.gz NWDGVLTXCQEMEJ-IPQPSQTFSA-N 2 1 334.891 3.368 20 0 EGADMP FC(F)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cn1 ZINC001167967095 1383781656 /nfs/dbraw/zinc/78/16/56/1383781656.db2.gz BEGPIWBUALCBPA-MQVJKMGUSA-N 2 1 337.414 3.178 20 0 EGADMP FC(F)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cn1 ZINC001167967095 1383781659 /nfs/dbraw/zinc/78/16/59/1383781659.db2.gz BEGPIWBUALCBPA-MQVJKMGUSA-N 2 1 337.414 3.178 20 0 EGADMP CC(C)(C)OC(=O)[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167995497 1383791573 /nfs/dbraw/zinc/79/15/73/1383791573.db2.gz HRQHQKOYXFUZLV-HTUJPFKRSA-N 2 1 348.531 3.446 20 0 EGADMP CC(C)(C)OC(=O)[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167995497 1383791577 /nfs/dbraw/zinc/79/15/77/1383791577.db2.gz HRQHQKOYXFUZLV-HTUJPFKRSA-N 2 1 348.531 3.446 20 0 EGADMP CC(C)(C)OC(=O)[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995497 1383791581 /nfs/dbraw/zinc/79/15/81/1383791581.db2.gz HRQHQKOYXFUZLV-HTUJPFKRSA-N 2 1 348.531 3.446 20 0 EGADMP Fc1cccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001168001899 1383792660 /nfs/dbraw/zinc/79/26/60/1383792660.db2.gz KDMKZIUSRVOMHW-WCRBZPEASA-N 2 1 343.490 3.353 20 0 EGADMP Fc1cccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001168001899 1383792665 /nfs/dbraw/zinc/79/26/65/1383792665.db2.gz KDMKZIUSRVOMHW-WCRBZPEASA-N 2 1 343.490 3.353 20 0 EGADMP Cc1ncn([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1CC[NH3+] ZINC001168011916 1383796642 /nfs/dbraw/zinc/79/66/42/1383796642.db2.gz UHYKNQKVDADKAD-HGKCTWBKSA-N 2 1 326.488 3.307 20 0 EGADMP COCCOCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168032661 1383801017 /nfs/dbraw/zinc/80/10/17/1383801017.db2.gz IVVGRWXGJLHJQO-OPVJXMOQSA-N 2 1 334.504 3.071 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[NH+](C3CC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040445 1383803190 /nfs/dbraw/zinc/80/31/90/1383803190.db2.gz MUZZXIDPFRRBRU-RMFSNUHRSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@H]1CC(N2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059489 1383806339 /nfs/dbraw/zinc/80/63/39/1383806339.db2.gz FYDFOFKOMPEJGJ-ROUUACIJSA-N 2 1 329.532 3.454 20 0 EGADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168066496 1383809214 /nfs/dbraw/zinc/80/92/14/1383809214.db2.gz PDSBDILXEJDNEE-JYWFKMLOSA-N 2 1 327.516 3.206 20 0 EGADMP COC(=O)[C@]1(C)CC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168066611 1383809654 /nfs/dbraw/zinc/80/96/54/1383809654.db2.gz QODKSNHDVUJPBV-CBGDNZLLSA-N 2 1 344.499 3.313 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC([NH3+])(c3cccc(F)c3)CC1)C2 ZINC001168252691 1383854690 /nfs/dbraw/zinc/85/46/90/1383854690.db2.gz TXVNVQAJCZNZOY-LJQANCHMSA-N 2 1 340.442 3.252 20 0 EGADMP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3C2CCC([NH+](C)C)CC2)o1 ZINC001168319757 1383871697 /nfs/dbraw/zinc/87/16/97/1383871697.db2.gz XJJXIMSKZUYOJM-ZYKFHVCXSA-N 2 1 331.504 3.109 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001168363283 1383883643 /nfs/dbraw/zinc/88/36/43/1383883643.db2.gz BRPYJMYYNFYRBX-UHFFFAOYSA-N 2 1 334.508 3.038 20 0 EGADMP CC(C)c1noc([C@H]2CCC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)n1 ZINC001168387882 1383892216 /nfs/dbraw/zinc/89/22/16/1383892216.db2.gz XJTOBSWHAYCQON-INIZCTEOSA-N 2 1 332.492 3.247 20 0 EGADMP CC(C)c1noc([C@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)n1 ZINC001168387882 1383892220 /nfs/dbraw/zinc/89/22/20/1383892220.db2.gz XJTOBSWHAYCQON-INIZCTEOSA-N 2 1 332.492 3.247 20 0 EGADMP COc1cccc(O[C@H]2CCC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168390522 1383893790 /nfs/dbraw/zinc/89/37/90/1383893790.db2.gz IQTJFFXLBKIQHU-NRFANRHFSA-N 2 1 344.499 3.413 20 0 EGADMP COc1cccc(O[C@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168390522 1383893796 /nfs/dbraw/zinc/89/37/96/1383893796.db2.gz IQTJFFXLBKIQHU-NRFANRHFSA-N 2 1 344.499 3.413 20 0 EGADMP C[C@H](Cc1cccc(F)c1)[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001168483921 1383919653 /nfs/dbraw/zinc/91/96/53/1383919653.db2.gz CMZYKUWULSADKL-AHRSYUTCSA-N 2 1 339.458 3.216 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001168596402 1383944284 /nfs/dbraw/zinc/94/42/84/1383944284.db2.gz VKGNQUKNOTWLJH-UHFFFAOYSA-N 2 1 339.568 3.421 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1c(C)cccc1C ZINC001168595533 1383944363 /nfs/dbraw/zinc/94/43/63/1383944363.db2.gz KDPXTDVSKBAJEC-UHFFFAOYSA-N 2 1 347.547 3.411 20 0 EGADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC001307783530 1384030945 /nfs/dbraw/zinc/03/09/45/1384030945.db2.gz IGQUTGWSAFVPPC-HXUWFJFHSA-N 2 1 332.532 3.476 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC001307783530 1384030950 /nfs/dbraw/zinc/03/09/50/1384030950.db2.gz IGQUTGWSAFVPPC-HXUWFJFHSA-N 2 1 332.532 3.476 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168886143 1384047272 /nfs/dbraw/zinc/04/72/72/1384047272.db2.gz XOCMLLOINKHXFL-JKSUJKDBSA-N 2 1 327.513 3.048 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3cccc(F)c3)CC1)C2 ZINC001169095380 1384105975 /nfs/dbraw/zinc/10/59/75/1384105975.db2.gz QNBRYUXORBRFIK-OWZKRDHZSA-N 2 1 331.479 3.005 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001169095304 1384106106 /nfs/dbraw/zinc/10/61/06/1384106106.db2.gz OYLUSCZRMVHEFR-UDZJMTLYSA-N 2 1 349.519 3.132 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1Cc3ccc(Br)cc3C1)C2 ZINC001169096213 1384106448 /nfs/dbraw/zinc/10/64/48/1384106448.db2.gz VUOXRKMYPLETEV-NXOAAHMSSA-N 2 1 335.289 3.131 20 0 EGADMP Cc1ccc(F)c(CN2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001169112816 1384108664 /nfs/dbraw/zinc/10/86/64/1384108664.db2.gz SUQXBCKBOSBNPR-OWZKRDHZSA-N 2 1 345.506 3.313 20 0 EGADMP C[C@@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001169124908 1384110335 /nfs/dbraw/zinc/11/03/35/1384110335.db2.gz GQVFRIFIDIUVAJ-RKNHFHLDSA-N 2 1 327.516 3.206 20 0 EGADMP C[C@@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC001169124908 1384110339 /nfs/dbraw/zinc/11/03/39/1384110339.db2.gz GQVFRIFIDIUVAJ-RKNHFHLDSA-N 2 1 327.516 3.206 20 0 EGADMP C[C@@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC001169124908 1384110341 /nfs/dbraw/zinc/11/03/41/1384110341.db2.gz GQVFRIFIDIUVAJ-RKNHFHLDSA-N 2 1 327.516 3.206 20 0 EGADMP COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147021 1384114794 /nfs/dbraw/zinc/11/47/94/1384114794.db2.gz RFTBNWCSMDXUTH-YSHGAJCASA-N 2 1 332.488 3.157 20 0 EGADMP COC[C@@H](C)[NH+](Cc1cccc(OC)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169147021 1384114795 /nfs/dbraw/zinc/11/47/95/1384114795.db2.gz RFTBNWCSMDXUTH-YSHGAJCASA-N 2 1 332.488 3.157 20 0 EGADMP COC[C@@H](C)[NH+](Cc1cccc(OC)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147021 1384114796 /nfs/dbraw/zinc/11/47/96/1384114796.db2.gz RFTBNWCSMDXUTH-YSHGAJCASA-N 2 1 332.488 3.157 20 0 EGADMP CN(C)c1c(C[NH2+]CC2(C[NH+](C)C)CCCC2)ccc(F)c1F ZINC001308365114 1384122002 /nfs/dbraw/zinc/12/20/02/1384122002.db2.gz BYRKCTQLLZDCHZ-UHFFFAOYSA-N 2 1 325.447 3.242 20 0 EGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001308682993 1384142147 /nfs/dbraw/zinc/14/21/47/1384142147.db2.gz JXIIJZYZFITMIY-HRAATJIYSA-N 2 1 342.458 3.113 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169453070 1384149638 /nfs/dbraw/zinc/14/96/38/1384149638.db2.gz UBNTUQZWFQUWIZ-BRWVUGGUSA-N 2 1 325.541 3.251 20 0 EGADMP C[C@H](Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1)c1cnccn1 ZINC001169529900 1384156859 /nfs/dbraw/zinc/15/68/59/1384156859.db2.gz SAESLUOSFZDAAB-HOCLYGCPSA-N 2 1 336.443 3.314 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)c(C)c1 ZINC001169810609 1384188233 /nfs/dbraw/zinc/18/82/33/1384188233.db2.gz RIWPEFGPXWEVSV-QUCCMNQESA-N 2 1 345.531 3.162 20 0 EGADMP Cc1cc(C)c2[nH+]c(NC[C@H]3O[C@H](C(C)C)O[C@@H]3C[NH3+])cc(C)c2c1 ZINC001170276726 1384280674 /nfs/dbraw/zinc/28/06/74/1384280674.db2.gz FWHJBGJYMQYFMJ-MBOZVWFJSA-N 2 1 343.471 3.297 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170529580 1384336130 /nfs/dbraw/zinc/33/61/30/1384336130.db2.gz NXTCEECIUYALMG-AFYVEPGGSA-N 2 1 344.499 3.409 20 0 EGADMP CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CC[C@@H](C(=O)OC)C2)CC1 ZINC001170552811 1384340647 /nfs/dbraw/zinc/34/06/47/1384340647.db2.gz CVWZISXCOYWWKF-QUCCMNQESA-N 2 1 344.499 3.315 20 0 EGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CC[C@@H](C(=O)OC)C2)CC1 ZINC001170552811 1384340649 /nfs/dbraw/zinc/34/06/49/1384340649.db2.gz CVWZISXCOYWWKF-QUCCMNQESA-N 2 1 344.499 3.315 20 0 EGADMP CCCCCC[C@@H](CC)[N@H+]1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001170599639 1384347949 /nfs/dbraw/zinc/34/79/49/1384347949.db2.gz PIMLNAOICLYIHR-QGZVFWFLSA-N 2 1 344.507 3.478 20 0 EGADMP CCCCCC[C@@H](CC)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001170599639 1384347952 /nfs/dbraw/zinc/34/79/52/1384347952.db2.gz PIMLNAOICLYIHR-QGZVFWFLSA-N 2 1 344.507 3.478 20 0 EGADMP [NH3+]C1(c2cccnc2)CC[NH+]([C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170677371 1384363299 /nfs/dbraw/zinc/36/32/99/1384363299.db2.gz OKQYIDWRTYUPRQ-QGZVFWFLSA-N 2 1 343.421 3.167 20 0 EGADMP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170795296 1384387099 /nfs/dbraw/zinc/38/70/99/1384387099.db2.gz JWKNKBSRUORANQ-ZWKOTPCHSA-N 2 1 337.552 3.316 20 0 EGADMP COc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCOCC1 ZINC001170800341 1384387962 /nfs/dbraw/zinc/38/79/62/1384387962.db2.gz ZFAFZBAGBFGCOJ-FHWLQOOXSA-N 2 1 332.488 3.336 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+]([C@@H]4CCCOCC4)CC[C@@H]3C2)cc1 ZINC001170846202 1384397662 /nfs/dbraw/zinc/39/76/62/1384397662.db2.gz YOWNRQYOJUUJJS-NJDAHSKKSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+]([C@@H]4CCCOCC4)CC[C@@H]3C2)cc1 ZINC001170846202 1384397664 /nfs/dbraw/zinc/39/76/64/1384397664.db2.gz YOWNRQYOJUUJJS-NJDAHSKKSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+]([C@@H]4CCCOCC4)CC[C@@H]3C2)cc1 ZINC001170846202 1384397667 /nfs/dbraw/zinc/39/76/67/1384397667.db2.gz YOWNRQYOJUUJJS-NJDAHSKKSA-N 2 1 328.500 3.400 20 0 EGADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170849511 1384397860 /nfs/dbraw/zinc/39/78/60/1384397860.db2.gz MJHVKFQSOKIWGA-MRXNPFEDSA-N 2 1 325.294 3.366 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170974526 1384421355 /nfs/dbraw/zinc/42/13/55/1384421355.db2.gz UZZNZLISQGOPMJ-LNLFQRSKSA-N 2 1 346.490 3.434 20 0 EGADMP CC[C@@H](Nc1cc[nH+]c(N2CCC([NH3+])CC2)n1)c1ccccc1C ZINC001171197087 1384466492 /nfs/dbraw/zinc/46/64/92/1384466492.db2.gz BZGGVHYPDTVPNE-QGZVFWFLSA-N 2 1 325.460 3.276 20 0 EGADMP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171247777 1384477656 /nfs/dbraw/zinc/47/76/56/1384477656.db2.gz OEZMJHCZABOETN-IAGOWNOFSA-N 2 1 348.535 3.461 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171248238 1384478366 /nfs/dbraw/zinc/47/83/66/1384478366.db2.gz RAUDWGJYMJRSKU-WMZOPIPTSA-N 2 1 348.535 3.461 20 0 EGADMP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001171261637 1384481365 /nfs/dbraw/zinc/48/13/65/1384481365.db2.gz XIMJUUFLWOSQJZ-SFHVURJKSA-N 2 1 345.531 3.244 20 0 EGADMP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171317025 1384493297 /nfs/dbraw/zinc/49/32/97/1384493297.db2.gz CTIGKWGGHIYHTC-QUCCMNQESA-N 2 1 345.531 3.326 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001171537422 1384555614 /nfs/dbraw/zinc/55/56/14/1384555614.db2.gz CEUCDYQAJYIZNZ-ICSRJNTNSA-N 2 1 345.531 3.244 20 0 EGADMP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC001171538789 1384556375 /nfs/dbraw/zinc/55/63/75/1384556375.db2.gz ONCOEDUNWCMJTK-QUCCMNQESA-N 2 1 345.531 3.244 20 0 EGADMP C[NH+]1C(C)(C)CC([NH2+]C2(C)CN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171613835 1384580566 /nfs/dbraw/zinc/58/05/66/1384580566.db2.gz QVTCEAXIHJNQDE-UHFFFAOYSA-N 2 1 339.524 3.237 20 0 EGADMP COc1ccc(O[C@@H]2CC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)nc1 ZINC001171641698 1384589386 /nfs/dbraw/zinc/58/93/86/1384589386.db2.gz UCGHOWPYFNYBGJ-QGZVFWFLSA-N 2 1 347.503 3.195 20 0 EGADMP Cc1ccnc(O[C@H]2CCC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)n1 ZINC001171642161 1384589671 /nfs/dbraw/zinc/58/96/71/1384589671.db2.gz YPUJGLHYEQUAJP-KRWDZBQOSA-N 2 1 346.519 3.280 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001171645827 1384591365 /nfs/dbraw/zinc/59/13/65/1384591365.db2.gz CKJQMPIRWIYDRZ-RBUKOAKNSA-N 2 1 337.552 3.338 20 0 EGADMP C[C@@H]1C[C@@H](n2c3ccccc3nc2CC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171724929 1384613865 /nfs/dbraw/zinc/61/38/65/1384613865.db2.gz FHRLQGFVTOWNKW-SJLPKXTDSA-N 2 1 334.467 3.373 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H](CC)c1ccc(F)cc1 ZINC001171731367 1384617164 /nfs/dbraw/zinc/61/71/64/1384617164.db2.gz FDSZNGHMULHBSE-GOSISDBHSA-N 2 1 337.483 3.105 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC001171732436 1384618102 /nfs/dbraw/zinc/61/81/02/1384618102.db2.gz AINPHKQRZLKPOK-RQXATKFSSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171732436 1384618107 /nfs/dbraw/zinc/61/81/07/1384618107.db2.gz AINPHKQRZLKPOK-RQXATKFSSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171732436 1384618108 /nfs/dbraw/zinc/61/81/08/1384618108.db2.gz AINPHKQRZLKPOK-RQXATKFSSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@H](N2CCC([NH+]3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171746930 1384624290 /nfs/dbraw/zinc/62/42/90/1384624290.db2.gz UVTQROYTMXWQSX-NQIIRXRSSA-N 2 1 327.516 3.210 20 0 EGADMP Fc1cccc2c1C[C@@H]([N@@H+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001171804973 1384644183 /nfs/dbraw/zinc/64/41/83/1384644183.db2.gz IVQFJWROXFXERI-ZCNNSNEGSA-N 2 1 336.454 3.357 20 0 EGADMP Fc1cccc2c1C[C@@H]([NH+]1C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001171804973 1384644186 /nfs/dbraw/zinc/64/41/86/1384644186.db2.gz IVQFJWROXFXERI-ZCNNSNEGSA-N 2 1 336.454 3.357 20 0 EGADMP Fc1cccc2c1C[C@@H]([NH+]1C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001171804973 1384644189 /nfs/dbraw/zinc/64/41/89/1384644189.db2.gz IVQFJWROXFXERI-ZCNNSNEGSA-N 2 1 336.454 3.357 20 0 EGADMP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]([NH3+])C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171814016 1384647919 /nfs/dbraw/zinc/64/79/19/1384647919.db2.gz IDTYYPXHDAXSIY-NCOADZHNSA-N 2 1 339.524 3.366 20 0 EGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]([NH3+])C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171814016 1384647922 /nfs/dbraw/zinc/64/79/22/1384647922.db2.gz IDTYYPXHDAXSIY-NCOADZHNSA-N 2 1 339.524 3.366 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171973896 1384699325 /nfs/dbraw/zinc/69/93/25/1384699325.db2.gz ATIRWUAOBZPMOQ-CEXWTWQISA-N 2 1 344.499 3.361 20 0 EGADMP CC1(C)C[C@@H]([NH2+]CCN2CCC[C@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171974537 1384700695 /nfs/dbraw/zinc/70/06/95/1384700695.db2.gz HPCBTUJTIHYVOY-PMACEKPBSA-N 2 1 347.522 3.453 20 0 EGADMP CC1(C)C[C@@H]([NH2+]CCOc2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC001171978120 1384702635 /nfs/dbraw/zinc/70/26/35/1384702635.db2.gz IUPGJTSTGHZNDR-IBGZPJMESA-N 2 1 339.483 3.493 20 0 EGADMP CCOC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984643 1384703903 /nfs/dbraw/zinc/70/39/03/1384703903.db2.gz WXRRRRBRTRBOOM-GBESFXJTSA-N 2 1 344.499 3.361 20 0 EGADMP COC(=O)C[C@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987693 1384705994 /nfs/dbraw/zinc/70/59/94/1384705994.db2.gz ZYUXZLREHNJFEU-MOPGFXCFSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)C[C@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987693 1384705995 /nfs/dbraw/zinc/70/59/95/1384705995.db2.gz ZYUXZLREHNJFEU-MOPGFXCFSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)C[C@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987693 1384705997 /nfs/dbraw/zinc/70/59/97/1384705997.db2.gz ZYUXZLREHNJFEU-MOPGFXCFSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065410 1384716307 /nfs/dbraw/zinc/71/63/07/1384716307.db2.gz MMJICSWAEGLMMS-KJFMYELZSA-N 2 1 342.483 3.113 20 0 EGADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@@H]1O ZINC001172069292 1384718489 /nfs/dbraw/zinc/71/84/89/1384718489.db2.gz OSXBNCCTVNUVEY-TZMRYXNNSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@@H]1O ZINC001172069292 1384718492 /nfs/dbraw/zinc/71/84/92/1384718492.db2.gz OSXBNCCTVNUVEY-TZMRYXNNSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@@H]1O ZINC001172069292 1384718495 /nfs/dbraw/zinc/71/84/95/1384718495.db2.gz OSXBNCCTVNUVEY-TZMRYXNNSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@@H]1O ZINC001172069292 1384718498 /nfs/dbraw/zinc/71/84/98/1384718498.db2.gz OSXBNCCTVNUVEY-TZMRYXNNSA-N 2 1 328.500 3.275 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC001172098863 1384725722 /nfs/dbraw/zinc/72/57/22/1384725722.db2.gz GYGPSZSFFUPPPB-WKCHPHFGSA-N 3 1 327.516 3.387 20 0 EGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC001172098863 1384725725 /nfs/dbraw/zinc/72/57/25/1384725725.db2.gz GYGPSZSFFUPPPB-WKCHPHFGSA-N 2 1 327.516 3.387 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC001172098863 1384725728 /nfs/dbraw/zinc/72/57/28/1384725728.db2.gz GYGPSZSFFUPPPB-WKCHPHFGSA-N 2 1 327.516 3.387 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC001172098863 1384725731 /nfs/dbraw/zinc/72/57/31/1384725731.db2.gz GYGPSZSFFUPPPB-WKCHPHFGSA-N 2 1 327.516 3.387 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)C2 ZINC001172109079 1384728434 /nfs/dbraw/zinc/72/84/34/1384728434.db2.gz ARUKSEQHKYMRIK-MUJYYYPQSA-N 2 1 337.508 3.039 20 0 EGADMP Cc1c(CC[NH3+])c2cc(O)ccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115106 1384731362 /nfs/dbraw/zinc/73/13/62/1384731362.db2.gz UMEGPKJMIZOPJX-ZSHCYNCHSA-N 2 1 327.472 3.344 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H](Oc3cc(F)ccc3F)C1)C2 ZINC001172122739 1384734520 /nfs/dbraw/zinc/73/45/20/1384734520.db2.gz UAILMEHCEXHWRC-HZMVEIRTSA-N 2 1 336.426 3.433 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H](Oc3cc(F)ccc3F)C1)C2 ZINC001172122739 1384734522 /nfs/dbraw/zinc/73/45/22/1384734522.db2.gz UAILMEHCEXHWRC-HZMVEIRTSA-N 2 1 336.426 3.433 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H](Oc3cc(F)ccc3F)C1)C2 ZINC001172122739 1384734528 /nfs/dbraw/zinc/73/45/28/1384734528.db2.gz UAILMEHCEXHWRC-HZMVEIRTSA-N 2 1 336.426 3.433 20 0 EGADMP COC(C[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)OC ZINC001172121331 1384735102 /nfs/dbraw/zinc/73/51/02/1384735102.db2.gz PLPWASORLRJFDJ-REPLKXPHSA-N 2 1 332.488 3.123 20 0 EGADMP COC(C[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)OC ZINC001172121331 1384735104 /nfs/dbraw/zinc/73/51/04/1384735104.db2.gz PLPWASORLRJFDJ-REPLKXPHSA-N 2 1 332.488 3.123 20 0 EGADMP COC(C[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)OC ZINC001172121331 1384735105 /nfs/dbraw/zinc/73/51/05/1384735105.db2.gz PLPWASORLRJFDJ-REPLKXPHSA-N 2 1 332.488 3.123 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC([C@](C)(O)C(F)(F)F)CC1)C2 ZINC001172128533 1384736268 /nfs/dbraw/zinc/73/62/68/1384736268.db2.gz SCAPHLWWAJQGRC-JJXSEGSLSA-N 2 1 334.426 3.027 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC([C@](C)(O)C(F)(F)F)CC1)C2 ZINC001172128533 1384736271 /nfs/dbraw/zinc/73/62/71/1384736271.db2.gz SCAPHLWWAJQGRC-JJXSEGSLSA-N 2 1 334.426 3.027 20 0 EGADMP CCCc1noc([C@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172129150 1384737659 /nfs/dbraw/zinc/73/76/59/1384737659.db2.gz XARMCIMLPJUJOI-NXOAAHMSSA-N 2 1 332.492 3.217 20 0 EGADMP CCCc1noc([C@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001172129150 1384737662 /nfs/dbraw/zinc/73/76/62/1384737662.db2.gz XARMCIMLPJUJOI-NXOAAHMSSA-N 2 1 332.492 3.217 20 0 EGADMP CCCc1noc([C@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172129150 1384737667 /nfs/dbraw/zinc/73/76/67/1384737667.db2.gz XARMCIMLPJUJOI-NXOAAHMSSA-N 2 1 332.492 3.217 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@H]2CSc3ccccc3C2)CC1 ZINC001172201867 1384746970 /nfs/dbraw/zinc/74/69/70/1384746970.db2.gz ORBKGUKLCDFECC-ZHALLVOQSA-N 2 1 346.540 3.454 20 0 EGADMP CCC(CC)[N@H+](C1CCN(CCCOC)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172249191 1384755952 /nfs/dbraw/zinc/75/59/52/1384755952.db2.gz ZBKYEVKUZBNEAV-UAPYVXQJSA-N 2 1 339.568 3.248 20 0 EGADMP CCC(CC)[N@@H+](C1CC[NH+](CCCOC)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172249191 1384755954 /nfs/dbraw/zinc/75/59/54/1384755954.db2.gz ZBKYEVKUZBNEAV-UAPYVXQJSA-N 3 1 339.568 3.248 20 0 EGADMP CCC(CC)[N@H+](C1CC[NH+](CCCOC)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172249191 1384755957 /nfs/dbraw/zinc/75/59/57/1384755957.db2.gz ZBKYEVKUZBNEAV-UAPYVXQJSA-N 3 1 339.568 3.248 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H]2c2cccc(OC)c2)CC1 ZINC001172253082 1384757043 /nfs/dbraw/zinc/75/70/43/1384757043.db2.gz BIKHBQGFKMMUAT-FQEVSTJZSA-N 2 1 332.488 3.333 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H]2c2cccc(OC)c2)CC1 ZINC001172253082 1384757046 /nfs/dbraw/zinc/75/70/46/1384757046.db2.gz BIKHBQGFKMMUAT-FQEVSTJZSA-N 2 1 332.488 3.333 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172336295 1384773365 /nfs/dbraw/zinc/77/33/65/1384773365.db2.gz MTUWFPWPWVQSSK-JYRKZWEQSA-N 2 1 348.531 3.053 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172336295 1384773366 /nfs/dbraw/zinc/77/33/66/1384773366.db2.gz MTUWFPWPWVQSSK-JYRKZWEQSA-N 2 1 348.531 3.053 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C[C@H]1C ZINC001172358222 1384777368 /nfs/dbraw/zinc/77/73/68/1384777368.db2.gz GLNBNBQQKCEPDA-OPYAIIAOSA-N 2 1 329.532 3.348 20 0 EGADMP CCOCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172423508 1384789253 /nfs/dbraw/zinc/78/92/53/1384789253.db2.gz IAPLBNFYFNATCN-MMKMLUHNSA-N 2 1 345.531 3.429 20 0 EGADMP CCOCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172423508 1384789255 /nfs/dbraw/zinc/78/92/55/1384789255.db2.gz IAPLBNFYFNATCN-MMKMLUHNSA-N 2 1 345.531 3.429 20 0 EGADMP CCOCC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172423508 1384789258 /nfs/dbraw/zinc/78/92/58/1384789258.db2.gz IAPLBNFYFNATCN-MMKMLUHNSA-N 2 1 345.531 3.429 20 0 EGADMP CCOCC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172423508 1384789260 /nfs/dbraw/zinc/78/92/60/1384789260.db2.gz IAPLBNFYFNATCN-MMKMLUHNSA-N 2 1 345.531 3.429 20 0 EGADMP CC(C)OCC[C@H](C)[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001172453721 1384795668 /nfs/dbraw/zinc/79/56/68/1384795668.db2.gz YLHVUUSLQYGOKY-SFHVURJKSA-N 2 1 348.535 3.054 20 0 EGADMP CC(C)OCC[C@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001172453721 1384795669 /nfs/dbraw/zinc/79/56/69/1384795669.db2.gz YLHVUUSLQYGOKY-SFHVURJKSA-N 2 1 348.535 3.054 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001172626337 1384822502 /nfs/dbraw/zinc/82/25/02/1384822502.db2.gz DLTPZAVORCWREJ-AQNXPRMDSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172626337 1384822505 /nfs/dbraw/zinc/82/25/05/1384822505.db2.gz DLTPZAVORCWREJ-AQNXPRMDSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172626337 1384822507 /nfs/dbraw/zinc/82/25/07/1384822507.db2.gz DLTPZAVORCWREJ-AQNXPRMDSA-N 2 1 344.499 3.172 20 0 EGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001173091712 1384912257 /nfs/dbraw/zinc/91/22/57/1384912257.db2.gz UUNWGQSYVQIEJV-WOSRLPQWSA-N 2 1 330.394 3.446 20 0 EGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001173091712 1384912259 /nfs/dbraw/zinc/91/22/59/1384912259.db2.gz UUNWGQSYVQIEJV-WOSRLPQWSA-N 2 1 330.394 3.446 20 0 EGADMP CC[NH+](CC)C1CCC([NH2+][C@@H](C)C(=O)OCc2ccccc2)CC1 ZINC001173102476 1384914836 /nfs/dbraw/zinc/91/48/36/1384914836.db2.gz YJWLNGSHHLSLAR-IVMQYODDSA-N 2 1 332.488 3.361 20 0 EGADMP CCOC[C@@H]1C[N@H+](C2CCC([NH+](CC)CC)CC2)Cc2cn(C)nc21 ZINC001173108760 1384916323 /nfs/dbraw/zinc/91/63/23/1384916323.db2.gz AZOVCDDBNKXUPN-VIQWUECVSA-N 2 1 348.535 3.009 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)CC1 ZINC001173111116 1384917284 /nfs/dbraw/zinc/91/72/84/1384917284.db2.gz SALXEGCVWWBORW-OAHAVBBTSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CCO1 ZINC001173174809 1384930767 /nfs/dbraw/zinc/93/07/67/1384930767.db2.gz CTKRSTFCUBDQIM-FYZZASKESA-N 2 1 328.500 3.398 20 0 EGADMP C[C@H]1C[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CCO1 ZINC001173174809 1384930769 /nfs/dbraw/zinc/93/07/69/1384930769.db2.gz CTKRSTFCUBDQIM-FYZZASKESA-N 2 1 328.500 3.398 20 0 EGADMP C[C@H]1C[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CCO1 ZINC001173174809 1384930771 /nfs/dbraw/zinc/93/07/71/1384930771.db2.gz CTKRSTFCUBDQIM-FYZZASKESA-N 2 1 328.500 3.398 20 0 EGADMP CC[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)C1 ZINC001173266896 1384947855 /nfs/dbraw/zinc/94/78/55/1384947855.db2.gz IHWFQLWKBIKHME-IAGOWNOFSA-N 2 1 341.540 3.391 20 0 EGADMP COC(=O)CCCC[C@H](C)[NH+]1CCC([NH3+])(c2ccccc2OC)CC1 ZINC001173440458 1384970503 /nfs/dbraw/zinc/97/05/03/1384970503.db2.gz BUHLGRUDTZBMTM-INIZCTEOSA-N 2 1 348.487 3.067 20 0 EGADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1CCN(CC(F)(F)F)CC1 ZINC001173664117 1384999387 /nfs/dbraw/zinc/99/93/87/1384999387.db2.gz QDTFAMIZLHOMBE-HNNXBMFYSA-N 2 1 343.437 3.110 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC001173714935 1385007386 /nfs/dbraw/zinc/00/73/86/1385007386.db2.gz LJFMFSHTRUSOMZ-DLBZAZTESA-N 2 1 332.488 3.258 20 0 EGADMP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001174880775 1385164144 /nfs/dbraw/zinc/16/41/44/1385164144.db2.gz HJPRHYCAKZGETF-HKUYNNGSSA-N 2 1 337.552 3.458 20 0 EGADMP C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174906379 1385168761 /nfs/dbraw/zinc/16/87/61/1385168761.db2.gz STCOXDZYJWKMIT-BJLQDIEVSA-N 2 1 345.531 3.182 20 0 EGADMP C[C@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175256225 1385230993 /nfs/dbraw/zinc/23/09/93/1385230993.db2.gz JFFNWNCRFUEBFE-SJORKVTESA-N 2 1 349.494 3.075 20 0 EGADMP CC[C@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175529374 1385323032 /nfs/dbraw/zinc/32/30/32/1385323032.db2.gz VABOYZZCQWQEAI-CVEARBPZSA-N 2 1 340.487 3.019 20 0 EGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001175571561 1385334916 /nfs/dbraw/zinc/33/49/16/1385334916.db2.gz CBXHUODYIRHVOP-ZWKOTPCHSA-N 2 1 325.541 3.314 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001175573590 1385336861 /nfs/dbraw/zinc/33/68/61/1385336861.db2.gz OZSKXRXPVLTUNM-RBUKOAKNSA-N 2 1 337.552 3.480 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001175704086 1385378649 /nfs/dbraw/zinc/37/86/49/1385378649.db2.gz RJPPUFJDJYRYIU-INIZCTEOSA-N 2 1 334.508 3.036 20 0 EGADMP C[NH+]1CCN(C(=O)c2cccc(Nc3cc[nH+]c(C4CC4)c3)c2)CC1 ZINC001175925605 1385438594 /nfs/dbraw/zinc/43/85/94/1385438594.db2.gz LTJLEEMEWUVJPD-UHFFFAOYSA-N 2 1 336.439 3.090 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+][C@H](C)c1ccccc1 ZINC001176022910 1385463682 /nfs/dbraw/zinc/46/36/82/1385463682.db2.gz DCMRZMXRCFMZBK-QZTJIDSGSA-N 2 1 333.520 3.354 20 0 EGADMP CCc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)CC)c1 ZINC001176024504 1385464125 /nfs/dbraw/zinc/46/41/25/1385464125.db2.gz PDWOPNSOOHBGSQ-SFHVURJKSA-N 2 1 347.547 3.355 20 0 EGADMP Cc1cc(Nc2cc[nH+]c(CNC(=O)OC(C)(C)C)c2)cc(C)[nH+]1 ZINC001176054491 1385473789 /nfs/dbraw/zinc/47/37/89/1385473789.db2.gz WOFSHCQDIPUVIX-UHFFFAOYSA-N 2 1 328.416 3.284 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NCC[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001317787468 1385479449 /nfs/dbraw/zinc/47/94/49/1385479449.db2.gz GFZWVNYXGIRAGU-MRXNPFEDSA-N 2 1 349.544 3.052 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC ZINC001176112651 1385488035 /nfs/dbraw/zinc/48/80/35/1385488035.db2.gz XPZOZEKVNPVCHQ-QZTJIDSGSA-N 2 1 325.541 3.316 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001317972239 1385592687 /nfs/dbraw/zinc/59/26/87/1385592687.db2.gz AGCRGOGGBGLWLT-SNRMKQJTSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001317972239 1385592691 /nfs/dbraw/zinc/59/26/91/1385592691.db2.gz AGCRGOGGBGLWLT-SNRMKQJTSA-N 2 1 349.494 3.054 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH2+]CC1CC2(CCC2)C1 ZINC001176590631 1385634434 /nfs/dbraw/zinc/63/44/34/1385634434.db2.gz CRPFBLAESDONQK-MRXNPFEDSA-N 2 1 346.519 3.036 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001176759881 1385686893 /nfs/dbraw/zinc/68/68/93/1385686893.db2.gz NPYCXBJJVQYGQE-ICSRJNTNSA-N 2 1 345.531 3.326 20 0 EGADMP CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001318561805 1385758073 /nfs/dbraw/zinc/75/80/73/1385758073.db2.gz KQNFOIDAXKRIQB-MSOLQXFVSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001176975726 1385761413 /nfs/dbraw/zinc/76/14/13/1385761413.db2.gz VXSQTGSMUHNZOW-QGZVFWFLSA-N 2 1 347.547 3.481 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001176992481 1385766926 /nfs/dbraw/zinc/76/69/26/1385766926.db2.gz RACVFKYDEKMHJI-ZTIWFVSMSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C[NH2+][C@@H](C)c2cccc(C)c2)CCCC1 ZINC001318664134 1385823962 /nfs/dbraw/zinc/82/39/62/1385823962.db2.gz JUOXHSPKSQHISN-SFHVURJKSA-N 2 1 345.531 3.416 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001318959339 1385897789 /nfs/dbraw/zinc/89/77/89/1385897789.db2.gz ONYATNPJLIGTOE-NCXUSEDFSA-N 2 1 337.552 3.170 20 0 EGADMP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)C1CCC1 ZINC001177345130 1385922241 /nfs/dbraw/zinc/92/22/41/1385922241.db2.gz PXUIBWYXDPTXKI-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CCC[NH2+]CC)CC2CCCC2)C1 ZINC001177394516 1385941947 /nfs/dbraw/zinc/94/19/47/1385941947.db2.gz HZGDXTSSSKCMQJ-LJQANCHMSA-N 2 1 337.552 3.127 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001177487680 1385975684 /nfs/dbraw/zinc/97/56/84/1385975684.db2.gz KMPHJOGWNJAXEZ-FXAWDEMLSA-N 2 1 325.456 3.405 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001319286371 1386043507 /nfs/dbraw/zinc/04/35/07/1386043507.db2.gz VNIFPRMZSZEMNH-MJGOQNOKSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001178045921 1386115445 /nfs/dbraw/zinc/11/54/45/1386115445.db2.gz ZJAJCFRAHKJJBB-UYAOXDASSA-N 2 1 345.531 3.416 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CCCCCC1 ZINC001178045897 1386115591 /nfs/dbraw/zinc/11/55/91/1386115591.db2.gz YYIAEDQRYCSVFU-LJQANCHMSA-N 2 1 337.552 3.317 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+][C@H]1CCc2ccccc21 ZINC001178045674 1386115609 /nfs/dbraw/zinc/11/56/09/1386115609.db2.gz RSBUTLYUWIFOTR-VQTJNVASSA-N 2 1 343.515 3.034 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)C1 ZINC001178249945 1386172286 /nfs/dbraw/zinc/17/22/86/1386172286.db2.gz XYIUIJRWLVYKKQ-HNNXBMFYSA-N 2 1 334.895 3.445 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)C1 ZINC001178249945 1386172289 /nfs/dbraw/zinc/17/22/89/1386172289.db2.gz XYIUIJRWLVYKKQ-HNNXBMFYSA-N 2 1 334.895 3.445 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001319575683 1386187409 /nfs/dbraw/zinc/18/74/09/1386187409.db2.gz ZOOHCLSKYHXNJO-KBPBESRZSA-N 2 1 348.878 3.043 20 0 EGADMP Cn1cnc2cc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)ccc21 ZINC001178408850 1386208886 /nfs/dbraw/zinc/20/88/86/1386208886.db2.gz IHWKABYSQHOJGM-UHFFFAOYSA-N 2 1 326.488 3.318 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178484612 1386232093 /nfs/dbraw/zinc/23/20/93/1386232093.db2.gz WWRDBEYZBZQJSR-OALUTQOASA-N 2 1 337.552 3.173 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCCCCC[NH2+]CC(C)C ZINC001178527416 1386241963 /nfs/dbraw/zinc/24/19/63/1386241963.db2.gz LJNLMJVRKCLIBE-QGZVFWFLSA-N 2 1 336.524 3.319 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001178705111 1386284250 /nfs/dbraw/zinc/28/42/50/1386284250.db2.gz FAUTXEKBYLBIJR-GOSISDBHSA-N 2 1 339.568 3.419 20 0 EGADMP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178890022 1386339453 /nfs/dbraw/zinc/33/94/53/1386339453.db2.gz FOWVUAMZQHJLJI-OJUCNMNVSA-N 2 1 335.536 3.185 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCCCCC[NH2+]CC1CC1 ZINC001178902992 1386343758 /nfs/dbraw/zinc/34/37/58/1386343758.db2.gz QNAUBVOQLQSLFE-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001178921006 1386349007 /nfs/dbraw/zinc/34/90/07/1386349007.db2.gz QQMRVLMYVKWUQQ-LJQANCHMSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1cccnc1C[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001319991465 1386440342 /nfs/dbraw/zinc/44/03/42/1386440342.db2.gz AJARZXLZPOVTAN-HDICACEKSA-N 2 1 339.483 3.289 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)CCC2CCCCCC2)C1 ZINC001320041154 1386468342 /nfs/dbraw/zinc/46/83/42/1386468342.db2.gz CFBZNSVKMCUARG-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)CCC2CCCCCC2)C1 ZINC001320041154 1386468349 /nfs/dbraw/zinc/46/83/49/1386468349.db2.gz CFBZNSVKMCUARG-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)CCC2CCCCCC2)C1 ZINC001320041154 1386468353 /nfs/dbraw/zinc/46/83/53/1386468353.db2.gz CFBZNSVKMCUARG-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC001179546472 1386511182 /nfs/dbraw/zinc/51/11/82/1386511182.db2.gz QQFDJUVNQYIHEQ-VUOWKATKSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001179746439 1386571137 /nfs/dbraw/zinc/57/11/37/1386571137.db2.gz UKDQKTZQPGCHBL-GOSISDBHSA-N 2 1 325.541 3.172 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001179824023 1386597672 /nfs/dbraw/zinc/59/76/72/1386597672.db2.gz NCKMYVPTAVZNPL-UHFFFAOYSA-N 2 1 334.508 3.038 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC/C=C/c2ccccc2)[C@@H]1C ZINC001179860906 1386609835 /nfs/dbraw/zinc/60/98/35/1386609835.db2.gz AVNVZJOESRUKSS-FBAPOHRVSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2C)[C@@H]1C ZINC001179978433 1386656434 /nfs/dbraw/zinc/65/64/34/1386656434.db2.gz ADDGAOBLMGJNAJ-BJLQDIEVSA-N 2 1 345.531 3.367 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)[C@@H]1C ZINC001179983241 1386658123 /nfs/dbraw/zinc/65/81/23/1386658123.db2.gz QMONABDJEOMRSI-BJLQDIEVSA-N 2 1 345.531 3.285 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC/C=C/c2ccccc2)[C@@H]1C ZINC001179987467 1386659213 /nfs/dbraw/zinc/65/92/13/1386659213.db2.gz YCKKXACXFOPLTP-FBAPOHRVSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)CS1 ZINC001320719004 1386700623 /nfs/dbraw/zinc/70/06/23/1386700623.db2.gz KQKCGUJDMUPNKG-UXHICEINSA-N 2 1 347.572 3.054 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCCCC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001180165553 1386719373 /nfs/dbraw/zinc/71/93/73/1386719373.db2.gz OMFDOUSOGUIDGB-NRFANRHFSA-N 2 1 349.563 3.319 20 0 EGADMP C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(F)cc1 ZINC001180264966 1386750078 /nfs/dbraw/zinc/75/00/78/1386750078.db2.gz LQKVCILMGNIAEI-WMZOPIPTSA-N 2 1 349.494 3.105 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001180264820 1386750517 /nfs/dbraw/zinc/75/05/17/1386750517.db2.gz LJVWOZNCFBMCSG-AZUAARDMSA-N 2 1 345.531 3.274 20 0 EGADMP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001180299199 1386758698 /nfs/dbraw/zinc/75/86/98/1386758698.db2.gz MCHQPGGEZBWTPV-YZKSSJSGSA-N 2 1 343.515 3.054 20 0 EGADMP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001180299199 1386758703 /nfs/dbraw/zinc/75/87/03/1386758703.db2.gz MCHQPGGEZBWTPV-YZKSSJSGSA-N 2 1 343.515 3.054 20 0 EGADMP C[N@H+](CC(=O)NCCCCCC[NH2+]CCC1CC1)Cc1ccccc1 ZINC001180452347 1386801126 /nfs/dbraw/zinc/80/11/26/1386801126.db2.gz RUTCIOFAKOLLCB-UHFFFAOYSA-N 2 1 345.531 3.185 20 0 EGADMP C[N@@H+](CC(=O)NCCCCCC[NH2+]CCC1CC1)Cc1ccccc1 ZINC001180452347 1386801134 /nfs/dbraw/zinc/80/11/34/1386801134.db2.gz RUTCIOFAKOLLCB-UHFFFAOYSA-N 2 1 345.531 3.185 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCCN(CCCc3ccccc3)CC2)CC1 ZINC001180489070 1386813673 /nfs/dbraw/zinc/81/36/73/1386813673.db2.gz VUQIRHCZBCVDLY-UHFFFAOYSA-N 2 1 343.559 3.359 20 0 EGADMP CC[NH+]1CCC(CN2CCC[N@H+](CCCc3ccccc3)CC2)CC1 ZINC001180489070 1386813681 /nfs/dbraw/zinc/81/36/81/1386813681.db2.gz VUQIRHCZBCVDLY-UHFFFAOYSA-N 2 1 343.559 3.359 20 0 EGADMP CC[NH+]1CCC(CN2CCC[N@@H+](CCCc3ccccc3)CC2)CC1 ZINC001180489070 1386813691 /nfs/dbraw/zinc/81/36/91/1386813691.db2.gz VUQIRHCZBCVDLY-UHFFFAOYSA-N 2 1 343.559 3.359 20 0 EGADMP CC[NH+](CC)C1CC[NH+](CCC(=O)N2CCCc3ccccc32)CC1 ZINC001321856386 1386997745 /nfs/dbraw/zinc/99/77/45/1386997745.db2.gz HJNIFXIBSTUODH-UHFFFAOYSA-N 2 1 343.515 3.162 20 0 EGADMP CC(C)[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001181468240 1386999093 /nfs/dbraw/zinc/99/90/93/1386999093.db2.gz TUDZOIKEQBHONI-LVCYWYKZSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001181467674 1386999593 /nfs/dbraw/zinc/99/95/93/1386999593.db2.gz AIKKMNFPZZSTTI-LVCYWYKZSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001321937498 1387013537 /nfs/dbraw/zinc/01/35/37/1387013537.db2.gz LNHJCTFIINGWMS-INIZCTEOSA-N 2 1 349.494 3.075 20 0 EGADMP CCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001181727941 1387046546 /nfs/dbraw/zinc/04/65/46/1387046546.db2.gz GOTVCYYTUFFYBY-MBOZVWFJSA-N 2 1 346.519 3.025 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001181994945 1387090480 /nfs/dbraw/zinc/09/04/80/1387090480.db2.gz CESATMGMGZIZFM-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H](C[N@@H+](C)C/C=C/c1ccccc1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001322245115 1387118229 /nfs/dbraw/zinc/11/82/29/1387118229.db2.gz TXONASAQLWWWOC-LVMGUKCRSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H](C[NH+](C)C/C=C/c1ccccc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001322245115 1387118236 /nfs/dbraw/zinc/11/82/36/1387118236.db2.gz TXONASAQLWWWOC-LVMGUKCRSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H](C[NH+](C)C/C=C/c1ccccc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001322245115 1387118239 /nfs/dbraw/zinc/11/82/39/1387118239.db2.gz TXONASAQLWWWOC-LVMGUKCRSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@@H](C[N@@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001322268687 1387129829 /nfs/dbraw/zinc/12/98/29/1387129829.db2.gz GFJHPJPTIUSLDI-IRXDYDNUSA-N 2 1 349.494 3.055 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182590779 1387193081 /nfs/dbraw/zinc/19/30/81/1387193081.db2.gz SZTHSBKAOLUIJR-IFEVLTCRSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001182614185 1387196642 /nfs/dbraw/zinc/19/66/42/1387196642.db2.gz FJPVQASJUDSSDB-YCIUYBBHSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1C1CC1)[NH+](C)C ZINC001329472319 1389120533 /nfs/dbraw/zinc/12/05/33/1389120533.db2.gz OMUPHKHEVMWSAI-UZLBHIALSA-N 2 1 345.531 3.087 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001329549522 1389152113 /nfs/dbraw/zinc/15/21/13/1389152113.db2.gz JZMRJTIHAMZUFK-ZWKOTPCHSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001329549522 1389152115 /nfs/dbraw/zinc/15/21/15/1389152115.db2.gz JZMRJTIHAMZUFK-ZWKOTPCHSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001329549522 1389152116 /nfs/dbraw/zinc/15/21/16/1389152116.db2.gz JZMRJTIHAMZUFK-ZWKOTPCHSA-N 2 1 347.547 3.470 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001698715911 1406359606 /nfs/dbraw/zinc/35/96/06/1406359606.db2.gz BLHVCVYAVSILOS-MISYRCLQSA-N 2 1 345.531 3.415 20 0 EGADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001336890028 1389197438 /nfs/dbraw/zinc/19/74/38/1389197438.db2.gz ZOXYNNZJADBABQ-WAOWUJCRSA-N 2 1 338.499 3.343 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001330056423 1389295818 /nfs/dbraw/zinc/29/58/18/1389295818.db2.gz YRWIGVRBFPKGSE-SJORKVTESA-N 2 1 348.535 3.125 20 0 EGADMP C[C@@H](CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC001331000298 1389592091 /nfs/dbraw/zinc/59/20/91/1389592091.db2.gz NGPCASAXNNNOCI-KBPBESRZSA-N 2 1 337.895 3.366 20 0 EGADMP C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1CCC1CCCC1 ZINC001332184739 1390027908 /nfs/dbraw/zinc/02/79/08/1390027908.db2.gz KQNMOPUTMNINNK-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP CCc1cccc(C[N@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)c1 ZINC001332201202 1390037639 /nfs/dbraw/zinc/03/76/39/1390037639.db2.gz VXEVNLRHMIWYDI-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccccc2C)[C@@H]1C ZINC001332220462 1390052506 /nfs/dbraw/zinc/05/25/06/1390052506.db2.gz UDEKPFDDGPUVJD-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C)[C@@H]1C ZINC001332220462 1390052511 /nfs/dbraw/zinc/05/25/11/1390052511.db2.gz UDEKPFDDGPUVJD-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C)[C@@H]1C ZINC001332220462 1390052516 /nfs/dbraw/zinc/05/25/16/1390052516.db2.gz UDEKPFDDGPUVJD-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP C[C@@H]1[C@H](NC(=O)CCC[NH+]2CCCCC2)CCC[N@H+]1CCC1CC1 ZINC001332221082 1390053227 /nfs/dbraw/zinc/05/32/27/1390053227.db2.gz WUGMKKGKFUDSJW-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP c1csc(CC[NH2+]C2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)n1 ZINC001332391232 1390104310 /nfs/dbraw/zinc/10/43/10/1390104310.db2.gz TTWAWFLNLWSBEH-JJTKIYQPSA-N 2 1 327.497 3.186 20 0 EGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC001332612038 1390140745 /nfs/dbraw/zinc/14/07/45/1390140745.db2.gz HCEHPDCNMSTMDU-SJJHQCBESA-N 2 1 339.524 3.142 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCN(c4ccccc4)C3)C[C@H]2C1 ZINC001333841085 1390420208 /nfs/dbraw/zinc/42/02/08/1390420208.db2.gz KGFFVTWZNKHWBO-QEUVDIPISA-N 2 1 327.516 3.175 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CCCC[C@@H]1C(=O)OC ZINC001334200463 1390497180 /nfs/dbraw/zinc/49/71/80/1390497180.db2.gz FXIVJVMRULOYKB-SJORKVTESA-N 2 1 335.492 3.137 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CCCC[C@@H]1C(=O)OC ZINC001334200463 1390497181 /nfs/dbraw/zinc/49/71/81/1390497181.db2.gz FXIVJVMRULOYKB-SJORKVTESA-N 2 1 335.492 3.137 20 0 EGADMP Cn1cc(C[N@H+]2C[C@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(-c2cccs2)n1 ZINC001335132978 1390646403 /nfs/dbraw/zinc/64/64/03/1390646403.db2.gz AEVVSDUZOCUJPY-BFYDXBDKSA-N 2 1 344.528 3.311 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]CCC(=O)Nc2cccnc2)c1 ZINC001335400858 1390679899 /nfs/dbraw/zinc/67/98/99/1390679899.db2.gz UYAISQSBBYXXHU-UHFFFAOYSA-N 2 1 340.471 3.040 20 0 EGADMP CC(C)N(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cn1 ZINC001343334281 1390707999 /nfs/dbraw/zinc/70/79/99/1390707999.db2.gz RTLBMUVLGIHGEO-IPMKNSEASA-N 2 1 330.520 3.088 20 0 EGADMP COc1ccc(C[C@@H](C)[N@@H+](C)C[C@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC001345204849 1390847675 /nfs/dbraw/zinc/84/76/75/1390847675.db2.gz PLERSDZAHJGROZ-APWZRJJASA-N 2 1 342.483 3.309 20 0 EGADMP C[C@@H]([NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCCC1)c1ccccc1 ZINC001698804522 1406484333 /nfs/dbraw/zinc/48/43/33/1406484333.db2.gz KHZCTGWAQQTMHW-QZTJIDSGSA-N 2 1 343.515 3.108 20 0 EGADMP O=C(CC[N@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1ccc(Cl)cc1 ZINC001349390533 1391326469 /nfs/dbraw/zinc/32/64/69/1391326469.db2.gz YDTCOLMARITVDQ-UHFFFAOYSA-N 2 1 335.879 3.134 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC2(CC1)CC[NH+](C)CC2)c1ccccc1 ZINC001352036024 1391749142 /nfs/dbraw/zinc/74/91/42/1391749142.db2.gz WHFKKANTGDVCKR-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnnn1C ZINC001354257339 1392133515 /nfs/dbraw/zinc/13/35/15/1392133515.db2.gz PKVYOVPMIBREIN-BPIHKTFHSA-N 2 1 339.487 3.051 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cnnn1C ZINC001354257339 1392133519 /nfs/dbraw/zinc/13/35/19/1392133519.db2.gz PKVYOVPMIBREIN-BPIHKTFHSA-N 2 1 339.487 3.051 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnnn1C ZINC001354257339 1392133520 /nfs/dbraw/zinc/13/35/20/1392133520.db2.gz PKVYOVPMIBREIN-BPIHKTFHSA-N 2 1 339.487 3.051 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC001698847987 1406550329 /nfs/dbraw/zinc/55/03/29/1406550329.db2.gz LZRTYAIGLJNBBW-SJORKVTESA-N 2 1 342.487 3.169 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001479894012 1392463271 /nfs/dbraw/zinc/46/32/71/1392463271.db2.gz DQPGFCJRYSSJNQ-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001479911297 1392479406 /nfs/dbraw/zinc/47/94/06/1392479406.db2.gz AIUCOKQBUBNNTN-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001479911297 1392479410 /nfs/dbraw/zinc/47/94/10/1392479410.db2.gz AIUCOKQBUBNNTN-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001479911297 1392479412 /nfs/dbraw/zinc/47/94/12/1392479412.db2.gz AIUCOKQBUBNNTN-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001480349010 1392699085 /nfs/dbraw/zinc/69/90/85/1392699085.db2.gz BWIHZIAVKRGAKY-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+]1CC1CC1)CC(C)(C)C ZINC001480373855 1392716870 /nfs/dbraw/zinc/71/68/70/1392716870.db2.gz SXBMFZKYYNUVNK-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CC1CC1)CC(C)(C)C ZINC001480373855 1392716872 /nfs/dbraw/zinc/71/68/72/1392716872.db2.gz SXBMFZKYYNUVNK-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+]1CC1CC1)CC(C)(C)C ZINC001480373855 1392716874 /nfs/dbraw/zinc/71/68/74/1392716874.db2.gz SXBMFZKYYNUVNK-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC001480410588 1392746632 /nfs/dbraw/zinc/74/66/32/1392746632.db2.gz OTPHDAFDELHTJI-UHFFFAOYSA-N 2 1 349.494 3.075 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001480739537 1392904675 /nfs/dbraw/zinc/90/46/75/1392904675.db2.gz QXNWYYDEJCCHKO-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)c2ccccc2)C1 ZINC001480739537 1392904676 /nfs/dbraw/zinc/90/46/76/1392904676.db2.gz QXNWYYDEJCCHKO-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2ccccc2)C1 ZINC001480739537 1392904679 /nfs/dbraw/zinc/90/46/79/1392904679.db2.gz QXNWYYDEJCCHKO-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001480864513 1392987899 /nfs/dbraw/zinc/98/78/99/1392987899.db2.gz RFRMIFQPKFJZTI-MRXNPFEDSA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480975691 1393060719 /nfs/dbraw/zinc/06/07/19/1393060719.db2.gz DQOLOGAIOYIAHD-LZQZEXGQSA-N 2 1 349.494 3.055 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480975691 1393060722 /nfs/dbraw/zinc/06/07/22/1393060722.db2.gz DQOLOGAIOYIAHD-LZQZEXGQSA-N 2 1 349.494 3.055 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001480975691 1393060729 /nfs/dbraw/zinc/06/07/29/1393060729.db2.gz DQOLOGAIOYIAHD-LZQZEXGQSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001490561150 1394262305 /nfs/dbraw/zinc/26/23/05/1394262305.db2.gz VMESYGIGSXYGSN-MAUKXSAKSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001490561150 1394262306 /nfs/dbraw/zinc/26/23/06/1394262306.db2.gz VMESYGIGSXYGSN-MAUKXSAKSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@@H](c1cccc(F)c1)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001490561150 1394262307 /nfs/dbraw/zinc/26/23/07/1394262307.db2.gz VMESYGIGSXYGSN-MAUKXSAKSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@@H](c1cccc(F)c1)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001490561150 1394262312 /nfs/dbraw/zinc/26/23/12/1394262312.db2.gz VMESYGIGSXYGSN-MAUKXSAKSA-N 2 1 349.494 3.055 20 0 EGADMP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001490783423 1394344709 /nfs/dbraw/zinc/34/47/09/1394344709.db2.gz OZZZQZOIGFQHCK-FQEVSTJZSA-N 2 1 345.531 3.089 20 0 EGADMP CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001490783423 1394344711 /nfs/dbraw/zinc/34/47/11/1394344711.db2.gz OZZZQZOIGFQHCK-FQEVSTJZSA-N 2 1 345.531 3.089 20 0 EGADMP CCCC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001490783423 1394344719 /nfs/dbraw/zinc/34/47/19/1394344719.db2.gz OZZZQZOIGFQHCK-FQEVSTJZSA-N 2 1 345.531 3.089 20 0 EGADMP CCCC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001490783423 1394344721 /nfs/dbraw/zinc/34/47/21/1394344721.db2.gz OZZZQZOIGFQHCK-FQEVSTJZSA-N 2 1 345.531 3.089 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001491110059 1394431224 /nfs/dbraw/zinc/43/12/24/1394431224.db2.gz CQDMLNPQNGMVBA-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001481773451 1394518384 /nfs/dbraw/zinc/51/83/84/1394518384.db2.gz VNWRPMRWGNIKBC-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@@]2(C)CC[N@@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001484059273 1395222212 /nfs/dbraw/zinc/22/22/12/1395222212.db2.gz QMKQHCGHWQKDLB-FQEVSTJZSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC2CC(C)C2)CC1 ZINC001484137357 1395273794 /nfs/dbraw/zinc/27/37/94/1395273794.db2.gz NZMNNTUYFDSTQT-ACBHZAAOSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccccc2C)C1)[NH+](C)C ZINC001484168707 1395307271 /nfs/dbraw/zinc/30/72/71/1395307271.db2.gz OXVUFSBGOUTSFC-PZJWPPBQSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)c1 ZINC001484977059 1395616768 /nfs/dbraw/zinc/61/67/68/1395616768.db2.gz PNRMMYWQSQUUAV-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@H+]1CC1CCC1 ZINC001484985027 1395626868 /nfs/dbraw/zinc/62/68/68/1395626868.db2.gz AWBVNGYMNLIETH-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@H+]1CC1CCC1 ZINC001484985029 1395627003 /nfs/dbraw/zinc/62/70/03/1395627003.db2.gz AWBVNGYMNLIETH-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@H](C(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001698990576 1406778884 /nfs/dbraw/zinc/77/88/84/1406778884.db2.gz BEHQTJPNTDCWLE-WMLDXEAASA-N 2 1 339.911 3.131 20 0 EGADMP CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001698990576 1406778890 /nfs/dbraw/zinc/77/88/90/1406778890.db2.gz BEHQTJPNTDCWLE-WMLDXEAASA-N 2 1 339.911 3.131 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001485509040 1395988121 /nfs/dbraw/zinc/98/81/21/1395988121.db2.gz KWDHTFIZLVMJPI-JXFKEZNVSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)c1ccccc1C[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001698997385 1406797973 /nfs/dbraw/zinc/79/79/73/1406797973.db2.gz XKUZIZCGZHQNBY-GOSISDBHSA-N 2 1 345.531 3.042 20 0 EGADMP CC(C)c1ccccc1C[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001698997385 1406797974 /nfs/dbraw/zinc/79/79/74/1406797974.db2.gz XKUZIZCGZHQNBY-GOSISDBHSA-N 2 1 345.531 3.042 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC([N@@H+](C)CC2CCCCCC2)CC1 ZINC001485763930 1396139792 /nfs/dbraw/zinc/13/97/92/1396139792.db2.gz XSHHRABXEDVEEX-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)[N@H+]1Cc2ccc(CNC(=O)CCC[NH+]3CCCCC3)cc2C1 ZINC001502653661 1396213953 /nfs/dbraw/zinc/21/39/53/1396213953.db2.gz MRMIJBLEZZDSTB-UHFFFAOYSA-N 2 1 343.515 3.293 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CC[C@H](C[N@@H+](C)CC3CCC3)C2)CCCCC1 ZINC001494147381 1396384578 /nfs/dbraw/zinc/38/45/78/1396384578.db2.gz LJGLWTCMJDITKR-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001494293971 1396421750 /nfs/dbraw/zinc/42/17/50/1396421750.db2.gz AWJNSGCHFGUMDA-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001494293971 1396421751 /nfs/dbraw/zinc/42/17/51/1396421751.db2.gz AWJNSGCHFGUMDA-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001494293971 1396421754 /nfs/dbraw/zinc/42/17/54/1396421754.db2.gz AWJNSGCHFGUMDA-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1c(C)cccc1C ZINC001699010800 1406840414 /nfs/dbraw/zinc/84/04/14/1406840414.db2.gz GORXINUYYMVNRZ-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1c(C)cccc1C ZINC001699010800 1406840420 /nfs/dbraw/zinc/84/04/20/1406840420.db2.gz GORXINUYYMVNRZ-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1c(C)cccc1C ZINC001699010800 1406840425 /nfs/dbraw/zinc/84/04/25/1406840425.db2.gz GORXINUYYMVNRZ-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP C[C@@H]([NH2+]CC[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1 ZINC001497268176 1396740892 /nfs/dbraw/zinc/74/08/92/1396740892.db2.gz LKZGGISLQTYGPK-DLBZAZTESA-N 2 1 333.520 3.210 20 0 EGADMP CCc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CCC[NH+](C)C)cc1 ZINC001690453183 1404579550 /nfs/dbraw/zinc/57/95/50/1404579550.db2.gz SZMKYYSBHJOBQM-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001690501383 1404613750 /nfs/dbraw/zinc/61/37/50/1404613750.db2.gz KKNCJUIADVLAAZ-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001690542922 1404627715 /nfs/dbraw/zinc/62/77/15/1404627715.db2.gz HZZXSMZDJNLEBN-VNCLNFNDSA-N 2 1 349.494 3.246 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001690542921 1404627736 /nfs/dbraw/zinc/62/77/36/1404627736.db2.gz HZZXSMZDJNLEBN-MNNVXMFVSA-N 2 1 349.494 3.246 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001690752161 1404708945 /nfs/dbraw/zinc/70/89/45/1404708945.db2.gz ZNIOQCCLHCIMIA-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC1CCCCCC1 ZINC001690941559 1404847584 /nfs/dbraw/zinc/84/75/84/1404847584.db2.gz HWEMIJPKFLTBMH-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCC1CCCCCC1 ZINC001690941559 1404847589 /nfs/dbraw/zinc/84/75/89/1404847589.db2.gz HWEMIJPKFLTBMH-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCC1CCCCCC1 ZINC001690941559 1404847594 /nfs/dbraw/zinc/84/75/94/1404847594.db2.gz HWEMIJPKFLTBMH-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001690947323 1404856515 /nfs/dbraw/zinc/85/65/15/1404856515.db2.gz KYCZXTLXLFXTPV-YLJYHZDGSA-N 2 1 343.515 3.203 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001690947323 1404856524 /nfs/dbraw/zinc/85/65/24/1404856524.db2.gz KYCZXTLXLFXTPV-YLJYHZDGSA-N 2 1 343.515 3.203 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001690947323 1404856530 /nfs/dbraw/zinc/85/65/30/1404856530.db2.gz KYCZXTLXLFXTPV-YLJYHZDGSA-N 2 1 343.515 3.203 20 0 EGADMP CCN(CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)Cc1ccccc1F ZINC001691043387 1404954659 /nfs/dbraw/zinc/95/46/59/1404954659.db2.gz JGLYVFVONOFXRC-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)Cc1ccccc1F ZINC001691043387 1404954666 /nfs/dbraw/zinc/95/46/66/1404954666.db2.gz JGLYVFVONOFXRC-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)Cc1ccccc1F ZINC001691043387 1404954669 /nfs/dbraw/zinc/95/46/69/1404954669.db2.gz JGLYVFVONOFXRC-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)Cc1ccccc1F ZINC001691043387 1404954672 /nfs/dbraw/zinc/95/46/72/1404954672.db2.gz JGLYVFVONOFXRC-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)[C@H](C)c1cccc(C)c1 ZINC001691045252 1404957482 /nfs/dbraw/zinc/95/74/82/1404957482.db2.gz ZPLQEJLEGDMCGC-LJQANCHMSA-N 2 1 345.531 3.226 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001691163315 1405098357 /nfs/dbraw/zinc/09/83/57/1405098357.db2.gz SXNRXFYEFUCONF-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CCC1CCCC1)C1CC1 ZINC001691209038 1405149634 /nfs/dbraw/zinc/14/96/34/1405149634.db2.gz ORTYFHDZKZZNKE-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CCC1CCCC1)C1CC1 ZINC001691209038 1405149640 /nfs/dbraw/zinc/14/96/40/1405149640.db2.gz ORTYFHDZKZZNKE-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CCC1CCCC1)C1CC1 ZINC001691209038 1405149641 /nfs/dbraw/zinc/14/96/41/1405149641.db2.gz ORTYFHDZKZZNKE-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cccc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001691403264 1405241488 /nfs/dbraw/zinc/24/14/88/1405241488.db2.gz ZAFAEZXAVPZSLA-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP Cc1cccc(C[NH+]2CC[C@@H]2CN(C)C(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001691403264 1405241489 /nfs/dbraw/zinc/24/14/89/1405241489.db2.gz ZAFAEZXAVPZSLA-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP Cc1cccc(C[NH+]2CC[C@@H]2CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001691403264 1405241493 /nfs/dbraw/zinc/24/14/93/1405241493.db2.gz ZAFAEZXAVPZSLA-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP C[N@@H+](C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)CC1CCCCC1 ZINC001691999527 1405714763 /nfs/dbraw/zinc/71/47/63/1405714763.db2.gz UBVVZMZBVUAFLE-HXUWFJFHSA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1C[NH+]([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001692343873 1405962930 /nfs/dbraw/zinc/96/29/30/1405962930.db2.gz IJFKMWWQMQUUFY-QGZVFWFLSA-N 2 1 345.531 3.261 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001698553169 1406150781 /nfs/dbraw/zinc/15/07/81/1406150781.db2.gz UKXBPSIVKSWILV-LJQANCHMSA-N 2 1 345.531 3.016 20 0 EGADMP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001732040820 1428269135 /nfs/dbraw/zinc/26/91/35/1428269135.db2.gz AHXSLSOLFVRTHA-FQEVSTJZSA-N 2 1 345.531 3.331 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001732090258 1428354929 /nfs/dbraw/zinc/35/49/29/1428354929.db2.gz GWLSAQLJDNJJIY-UYAOXDASSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001732090258 1428354932 /nfs/dbraw/zinc/35/49/32/1428354932.db2.gz GWLSAQLJDNJJIY-UYAOXDASSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001732090258 1428354935 /nfs/dbraw/zinc/35/49/35/1428354935.db2.gz GWLSAQLJDNJJIY-UYAOXDASSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001732214350 1428462221 /nfs/dbraw/zinc/46/22/21/1428462221.db2.gz VGRDGNNOBBTIEM-IBGZPJMESA-N 2 1 347.547 3.266 20 0 EGADMP C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001699415253 1412729282 /nfs/dbraw/zinc/72/92/82/1412729282.db2.gz JEMGQVJPGUDBJW-RZQQEMMASA-N 2 1 339.483 3.089 20 0 EGADMP O=C(CCC[NH+]1CCCC1)NC[C@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001699642127 1413022280 /nfs/dbraw/zinc/02/22/80/1413022280.db2.gz LUHHULOGEBTSPL-HXUWFJFHSA-N 2 1 349.563 3.413 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001699676537 1413070656 /nfs/dbraw/zinc/07/06/56/1413070656.db2.gz UWMAIXSWAYBBBN-SFHVURJKSA-N 2 1 349.563 3.316 20 0 EGADMP CCCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CCCCCC1 ZINC001699682952 1413077149 /nfs/dbraw/zinc/07/71/49/1413077149.db2.gz CQIDUVBMYZYRDJ-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCCCC1 ZINC001699682952 1413077152 /nfs/dbraw/zinc/07/71/52/1413077152.db2.gz CQIDUVBMYZYRDJ-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCCCC1 ZINC001699682952 1413077157 /nfs/dbraw/zinc/07/71/57/1413077157.db2.gz CQIDUVBMYZYRDJ-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001699828169 1413256159 /nfs/dbraw/zinc/25/61/59/1413256159.db2.gz YWJZBKWGILNAEI-UZLBHIALSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001699828169 1413256162 /nfs/dbraw/zinc/25/61/62/1413256162.db2.gz YWJZBKWGILNAEI-UZLBHIALSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001699828169 1413256166 /nfs/dbraw/zinc/25/61/66/1413256166.db2.gz YWJZBKWGILNAEI-UZLBHIALSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001700197457 1413639239 /nfs/dbraw/zinc/63/92/39/1413639239.db2.gz KPUXHELCFAXGHX-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001700197457 1413639242 /nfs/dbraw/zinc/63/92/42/1413639242.db2.gz KPUXHELCFAXGHX-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001700197457 1413639245 /nfs/dbraw/zinc/63/92/45/1413639245.db2.gz KPUXHELCFAXGHX-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC1CC(C[N@H+]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)C2)C1 ZINC001700293944 1413752242 /nfs/dbraw/zinc/75/22/42/1413752242.db2.gz LOCXDPQKDXLKCI-ACBHZAAOSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CCCCC2)CC1(C)C ZINC001700294643 1413754402 /nfs/dbraw/zinc/75/44/02/1413754402.db2.gz ZPFLZXZHSUSZIK-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC2CCCCC2)CC1(C)C ZINC001700294643 1413754404 /nfs/dbraw/zinc/75/44/04/1413754404.db2.gz ZPFLZXZHSUSZIK-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)CC1(C)C ZINC001700294643 1413754412 /nfs/dbraw/zinc/75/44/12/1413754412.db2.gz ZPFLZXZHSUSZIK-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2c(C)cccc2C)[C@@H](C)C1 ZINC001700320783 1413785648 /nfs/dbraw/zinc/78/56/48/1413785648.db2.gz ROSYKNBPVWMQKG-OALUTQOASA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2c(C)cccc2C)[C@@H](C)C1 ZINC001700320783 1413785651 /nfs/dbraw/zinc/78/56/51/1413785651.db2.gz ROSYKNBPVWMQKG-OALUTQOASA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2c(C)cccc2C)[C@@H](C)C1 ZINC001700320783 1413785656 /nfs/dbraw/zinc/78/56/56/1413785656.db2.gz ROSYKNBPVWMQKG-OALUTQOASA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C)[NH+](C)C ZINC001700363047 1413880303 /nfs/dbraw/zinc/88/03/03/1413880303.db2.gz IKNXLAIXDVAUJM-MSOLQXFVSA-N 2 1 339.568 3.322 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001700479883 1414113647 /nfs/dbraw/zinc/11/36/47/1414113647.db2.gz CTQHNKJOFVCUOL-DLBZAZTESA-N 2 1 349.494 3.055 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001700482238 1414121135 /nfs/dbraw/zinc/12/11/35/1414121135.db2.gz XRRPWMXFGBIQOX-AZUAARDMSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C1CC1)[NH+](C)C ZINC001732585040 1428797297 /nfs/dbraw/zinc/79/72/97/1428797297.db2.gz SEWAIPNZKXUSOC-FQEVSTJZSA-N 2 1 345.531 3.040 20 0 EGADMP C[C@H]1[C@H](NC(=O)CCC[NH+]2CCCCC2)CCC[N@H+]1CC1CCC1 ZINC001700890982 1414550244 /nfs/dbraw/zinc/55/02/44/1414550244.db2.gz XZLGVLFJWASBHM-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1cccc(F)c1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001732774509 1428961856 /nfs/dbraw/zinc/96/18/56/1428961856.db2.gz GAZJNRWIBALLLR-APWZRJJASA-N 2 1 349.494 3.198 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001733053668 1429194544 /nfs/dbraw/zinc/19/45/44/1429194544.db2.gz SJMGDGRZDRYOTP-QZTJIDSGSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001733053668 1429194547 /nfs/dbraw/zinc/19/45/47/1429194547.db2.gz SJMGDGRZDRYOTP-QZTJIDSGSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001733053668 1429194550 /nfs/dbraw/zinc/19/45/50/1429194550.db2.gz SJMGDGRZDRYOTP-QZTJIDSGSA-N 2 1 347.547 3.470 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)Cc2ccccc2C)C1 ZINC001713135688 1417716073 /nfs/dbraw/zinc/71/60/73/1417716073.db2.gz OQGRKUSPBDPJJA-IBGZPJMESA-N 2 1 345.531 3.007 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2C)C1 ZINC001713135688 1417716074 /nfs/dbraw/zinc/71/60/74/1417716074.db2.gz OQGRKUSPBDPJJA-IBGZPJMESA-N 2 1 345.531 3.007 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2C)C1 ZINC001713135688 1417716078 /nfs/dbraw/zinc/71/60/78/1417716078.db2.gz OQGRKUSPBDPJJA-IBGZPJMESA-N 2 1 345.531 3.007 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1cccc(C)c1 ZINC001713546694 1418318446 /nfs/dbraw/zinc/31/84/46/1418318446.db2.gz VPIYMLJDXVTTFL-FQEVSTJZSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)Cc1cccc(C)c1 ZINC001713546694 1418318450 /nfs/dbraw/zinc/31/84/50/1418318450.db2.gz VPIYMLJDXVTTFL-FQEVSTJZSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)Cc1cccc(C)c1 ZINC001713546694 1418318453 /nfs/dbraw/zinc/31/84/53/1418318453.db2.gz VPIYMLJDXVTTFL-FQEVSTJZSA-N 2 1 345.531 3.196 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1CC[NH+](CC2CCCCC2)C1)C1CCCCC1 ZINC001713826197 1418625870 /nfs/dbraw/zinc/62/58/70/1418625870.db2.gz BKIRNPCXZIHITD-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C1)C1CCCCC1 ZINC001713826197 1418625872 /nfs/dbraw/zinc/62/58/72/1418625872.db2.gz BKIRNPCXZIHITD-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1)C1CCCCC1 ZINC001713826197 1418625874 /nfs/dbraw/zinc/62/58/74/1418625874.db2.gz BKIRNPCXZIHITD-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2cc(C)ccc2C)C1 ZINC001714022864 1418806358 /nfs/dbraw/zinc/80/63/58/1418806358.db2.gz WZQZLEPXNSSEBB-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001714022864 1418806363 /nfs/dbraw/zinc/80/63/63/1418806363.db2.gz WZQZLEPXNSSEBB-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001714022864 1418806368 /nfs/dbraw/zinc/80/63/68/1418806368.db2.gz WZQZLEPXNSSEBB-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001714085931 1418879696 /nfs/dbraw/zinc/87/96/96/1418879696.db2.gz FQDLBVCMKFEFCI-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1ccccc1 ZINC001714140024 1418942312 /nfs/dbraw/zinc/94/23/12/1418942312.db2.gz RZYUJRKHVWRGNE-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2(C[NH2+]C[C@H](C)CC)CCCC2)C1 ZINC001714140713 1418943313 /nfs/dbraw/zinc/94/33/13/1418943313.db2.gz TWIXFBFRHJMDBD-QZTJIDSGSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)Cc1c(C)cc(C)cc1C ZINC001714546554 1419272871 /nfs/dbraw/zinc/27/28/71/1419272871.db2.gz KSCOLQGTUPXAGI-HXUWFJFHSA-N 2 1 345.531 3.034 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)Cc1c(C)cc(C)cc1C ZINC001714546554 1419272873 /nfs/dbraw/zinc/27/28/73/1419272873.db2.gz KSCOLQGTUPXAGI-HXUWFJFHSA-N 2 1 345.531 3.034 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1c(C)cc(C)cc1C ZINC001714546554 1419272874 /nfs/dbraw/zinc/27/28/74/1419272874.db2.gz KSCOLQGTUPXAGI-HXUWFJFHSA-N 2 1 345.531 3.034 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)CCNC(=O)C[NH+](C)C2CCC2)cc1 ZINC001714549109 1419275615 /nfs/dbraw/zinc/27/56/15/1419275615.db2.gz ZWHNWUPIRVIZHJ-QGZVFWFLSA-N 2 1 345.531 3.403 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+](C)CCNC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001714549109 1419275618 /nfs/dbraw/zinc/27/56/18/1419275618.db2.gz ZWHNWUPIRVIZHJ-QGZVFWFLSA-N 2 1 345.531 3.403 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+](C)CCNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001714549109 1419275624 /nfs/dbraw/zinc/27/56/24/1419275624.db2.gz ZWHNWUPIRVIZHJ-QGZVFWFLSA-N 2 1 345.531 3.403 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001714572306 1419306061 /nfs/dbraw/zinc/30/60/61/1419306061.db2.gz NZCABLKENJFUAR-IBGZPJMESA-N 2 1 331.504 3.062 20 0 EGADMP CC(C)(C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCC1)[NH+]1CCCCC1 ZINC001714607032 1419365192 /nfs/dbraw/zinc/36/51/92/1419365192.db2.gz KSONEVLQFLCGFU-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001714664806 1419452646 /nfs/dbraw/zinc/45/26/46/1419452646.db2.gz GGZAEKXTBRNOFL-QGZVFWFLSA-N 2 1 343.515 3.121 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](CCC1CCCC1)C1CC1 ZINC001714675240 1419467316 /nfs/dbraw/zinc/46/73/16/1419467316.db2.gz KHWPEBRXZZQYJH-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](CCC1CCCC1)C1CC1 ZINC001714675240 1419467317 /nfs/dbraw/zinc/46/73/17/1419467317.db2.gz KHWPEBRXZZQYJH-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](CCC1CCCC1)C1CC1 ZINC001714675240 1419467319 /nfs/dbraw/zinc/46/73/19/1419467319.db2.gz KHWPEBRXZZQYJH-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001715472104 1420151353 /nfs/dbraw/zinc/15/13/53/1420151353.db2.gz UNGUUPNTCNLLDO-UHFFFAOYSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCC1CCCC1 ZINC001715526366 1420215337 /nfs/dbraw/zinc/21/53/37/1420215337.db2.gz YDJCUZIURZGCJI-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCC1CCCC1 ZINC001715526366 1420215339 /nfs/dbraw/zinc/21/53/39/1420215339.db2.gz YDJCUZIURZGCJI-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCC1CCCC1 ZINC001715526366 1420215342 /nfs/dbraw/zinc/21/53/42/1420215342.db2.gz YDJCUZIURZGCJI-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)[C@@H](C)c1ccccc1Cl ZINC001715534426 1420227792 /nfs/dbraw/zinc/22/77/92/1420227792.db2.gz MDVLDLYYODDZNO-HNNXBMFYSA-N 2 1 339.911 3.133 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)[C@@H](C)c1ccccc1Cl ZINC001715534426 1420227794 /nfs/dbraw/zinc/22/77/94/1420227794.db2.gz MDVLDLYYODDZNO-HNNXBMFYSA-N 2 1 339.911 3.133 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC001715534426 1420227796 /nfs/dbraw/zinc/22/77/96/1420227796.db2.gz MDVLDLYYODDZNO-HNNXBMFYSA-N 2 1 339.911 3.133 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC001715534426 1420227798 /nfs/dbraw/zinc/22/77/98/1420227798.db2.gz MDVLDLYYODDZNO-HNNXBMFYSA-N 2 1 339.911 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]([NH2+]CC1CCC(C)(C)CC1)C(C)C ZINC001715730776 1420314953 /nfs/dbraw/zinc/31/49/53/1420314953.db2.gz RZGFVSKKTRXUHJ-GOSISDBHSA-N 2 1 348.535 3.138 20 0 EGADMP C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C)c1ccc(C(C)(C)C)cc1 ZINC001715990089 1420446020 /nfs/dbraw/zinc/44/60/20/1420446020.db2.gz PXRQTFPDBPDZFE-FRQCXROJSA-N 2 1 345.531 3.234 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C[C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC001715997544 1420451552 /nfs/dbraw/zinc/45/15/52/1420451552.db2.gz VOWJHKANDYBPGA-IRXDYDNUSA-N 2 1 342.487 3.170 20 0 EGADMP Cc1ccc(C)c(C[N@H+](C)CCN(C)C(=O)CCC[NH+]2CCCC2)c1 ZINC001716014097 1420467556 /nfs/dbraw/zinc/46/75/56/1420467556.db2.gz PPSYXDOGRUSKLZ-UHFFFAOYSA-N 2 1 345.531 3.070 20 0 EGADMP C[C@@H](C[N@@H+](C)[C@@H](C)c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716031997 1420491139 /nfs/dbraw/zinc/49/11/39/1420491139.db2.gz VNTBSTYIPSMQSA-ROUUACIJSA-N 2 1 345.531 3.449 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001716500827 1420727238 /nfs/dbraw/zinc/72/72/38/1420727238.db2.gz KYJWLVXBLICHMK-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001716500827 1420727241 /nfs/dbraw/zinc/72/72/41/1420727241.db2.gz KYJWLVXBLICHMK-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001716500827 1420727242 /nfs/dbraw/zinc/72/72/42/1420727242.db2.gz KYJWLVXBLICHMK-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1(C)CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001716799269 1420932238 /nfs/dbraw/zinc/93/22/38/1420932238.db2.gz BNGCKADKJCTUCK-QGZVFWFLSA-N 2 1 331.504 3.060 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001716843510 1420970046 /nfs/dbraw/zinc/97/00/46/1420970046.db2.gz OBTHXPWZMIUMOE-UWJYYQICSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001716843510 1420970049 /nfs/dbraw/zinc/97/00/49/1420970049.db2.gz OBTHXPWZMIUMOE-UWJYYQICSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001716843510 1420970052 /nfs/dbraw/zinc/97/00/52/1420970052.db2.gz OBTHXPWZMIUMOE-UWJYYQICSA-N 2 1 343.515 3.121 20 0 EGADMP CC[C@H](C)C[N@H+]1Cc2ccc(CNC(=O)C[NH+](C)C3CCC3)cc2C1 ZINC001717270393 1421227018 /nfs/dbraw/zinc/22/70/18/1421227018.db2.gz WDHQXBSTEOOMPM-INIZCTEOSA-N 2 1 343.515 3.149 20 0 EGADMP CC[C@H](C)C[NH+]1Cc2ccc(CNC(=O)C[N@H+](C)C3CCC3)cc2C1 ZINC001717270393 1421227020 /nfs/dbraw/zinc/22/70/20/1421227020.db2.gz WDHQXBSTEOOMPM-INIZCTEOSA-N 2 1 343.515 3.149 20 0 EGADMP CC[C@H](C)C[NH+]1Cc2ccc(CNC(=O)C[N@@H+](C)C3CCC3)cc2C1 ZINC001717270393 1421227023 /nfs/dbraw/zinc/22/70/23/1421227023.db2.gz WDHQXBSTEOOMPM-INIZCTEOSA-N 2 1 343.515 3.149 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)CC1(C)C)[NH+](C)C ZINC001717310874 1421254813 /nfs/dbraw/zinc/25/48/13/1421254813.db2.gz PQHNUVDJWBNGNS-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001717338918 1421276365 /nfs/dbraw/zinc/27/63/65/1421276365.db2.gz FJEHZTGAHLANCT-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCCC[NH+]1CC1CCCCC1 ZINC001717539946 1421479843 /nfs/dbraw/zinc/47/98/43/1421479843.db2.gz GBNLKBAKHIZANY-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCCCC1 ZINC001717539946 1421479845 /nfs/dbraw/zinc/47/98/45/1421479845.db2.gz GBNLKBAKHIZANY-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@H+]1CC1CCCCC1 ZINC001717539946 1421479846 /nfs/dbraw/zinc/47/98/46/1421479846.db2.gz GBNLKBAKHIZANY-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001717561256 1421497011 /nfs/dbraw/zinc/49/70/11/1421497011.db2.gz HWCUWANLFBBVCB-MRXNPFEDSA-N 2 1 348.535 3.235 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2c(C)cccc2C)[C@@H]1C ZINC001717859650 1421671740 /nfs/dbraw/zinc/67/17/40/1421671740.db2.gz CSRDBDCZWZLLFX-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2c(C)cccc2C)[C@@H]1C ZINC001717859650 1421671743 /nfs/dbraw/zinc/67/17/43/1421671743.db2.gz CSRDBDCZWZLLFX-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(C)cccc2C)[C@@H]1C ZINC001717859650 1421671745 /nfs/dbraw/zinc/67/17/45/1421671745.db2.gz CSRDBDCZWZLLFX-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@]2(C1)CCC[NH+](CCC1CC1)C2)CC(C)(C)C ZINC001723691253 1424531850 /nfs/dbraw/zinc/53/18/50/1424531850.db2.gz OJCKRMKMHGJAKI-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CC1)C2)CC(C)(C)C ZINC001723691253 1424531869 /nfs/dbraw/zinc/53/18/69/1424531869.db2.gz OJCKRMKMHGJAKI-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC1CC1)C2)CC(C)(C)C ZINC001723691253 1424531871 /nfs/dbraw/zinc/53/18/71/1424531871.db2.gz OJCKRMKMHGJAKI-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)C[C@H]1C ZINC001723877245 1424595933 /nfs/dbraw/zinc/59/59/33/1424595933.db2.gz TYRPHLXQQKOLLP-YGQKLEOUSA-N 2 1 343.515 3.011 20 0 EGADMP C[N@@H+](CC(=O)NC[C@]1(C)CCC[NH+](CC2CCCCC2)C1)C1CCC1 ZINC001724322834 1424809460 /nfs/dbraw/zinc/80/94/60/1424809460.db2.gz HNIUOMMNSNPPMR-NRFANRHFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NC[C@]1(C)CCC[N@H+](CC2CCCCC2)C1)C1CCC1 ZINC001724322834 1424809468 /nfs/dbraw/zinc/80/94/68/1424809468.db2.gz HNIUOMMNSNPPMR-NRFANRHFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NC[C@]1(C)CCC[N@@H+](CC2CCCCC2)C1)C1CCC1 ZINC001724322834 1424809469 /nfs/dbraw/zinc/80/94/69/1424809469.db2.gz HNIUOMMNSNPPMR-NRFANRHFSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001724616559 1424965059 /nfs/dbraw/zinc/96/50/59/1424965059.db2.gz FQWRYIDRTDRKNR-HXUWFJFHSA-N 2 1 345.531 3.276 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001724850465 1425212355 /nfs/dbraw/zinc/21/23/55/1425212355.db2.gz FQUXYNBTNVTQLO-QGZVFWFLSA-N 2 1 331.504 3.012 20 0 EGADMP CCCC[N@H+]1Cc2ccc(CNC(=O)[C@H](C)Cc3c[nH]cn3)cc2C1 ZINC001724924175 1425314414 /nfs/dbraw/zinc/31/44/14/1425314414.db2.gz VNPHJCNHHCBTMU-OAHLLOKOSA-N 2 1 340.471 3.020 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001725003066 1425413353 /nfs/dbraw/zinc/41/33/53/1425413353.db2.gz NFORVTMBAWZDEI-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)CCCC(C)(C)C ZINC001725193687 1425743703 /nfs/dbraw/zinc/74/37/03/1425743703.db2.gz HCHZKMJZMYJSIO-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCCC2CCC2)CC1 ZINC001725421400 1426070881 /nfs/dbraw/zinc/07/08/81/1426070881.db2.gz URLVPUGVOSXNPN-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCCC2CCC2)CC1 ZINC001725421400 1426070886 /nfs/dbraw/zinc/07/08/86/1426070886.db2.gz URLVPUGVOSXNPN-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCCC2CCC2)CC1 ZINC001725421400 1426070894 /nfs/dbraw/zinc/07/08/94/1426070894.db2.gz URLVPUGVOSXNPN-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001725513612 1426203028 /nfs/dbraw/zinc/20/30/28/1426203028.db2.gz WCOPKOXZYCODJS-KRWDZBQOSA-N 2 1 348.535 3.413 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001725585276 1426240109 /nfs/dbraw/zinc/24/01/09/1426240109.db2.gz GZXXDKBHUFYYAV-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC12CC[NH+]([C@H](C)c1ccccc1)CC2 ZINC001731384589 1427327269 /nfs/dbraw/zinc/32/72/69/1427327269.db2.gz DNQBZWWZWIUREF-MJGOQNOKSA-N 2 1 343.515 3.060 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H](CNC(=O)C[N@@H+](C)C2CCC2)C2CC2)c1 ZINC001731396882 1427353282 /nfs/dbraw/zinc/35/32/82/1427353282.db2.gz NBRSSOWSZFXVBB-OXJNMPFZSA-N 2 1 343.515 3.025 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@H+]2CCCC2CCCC2)CCC1 ZINC001731829310 1428036254 /nfs/dbraw/zinc/03/62/54/1428036254.db2.gz PEWUHLDJMVRMJT-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC(CC(=O)NC[C@H]2CC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC001731855547 1428088774 /nfs/dbraw/zinc/08/87/74/1428088774.db2.gz NWUUPOPWSNVXFH-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001733599539 1429800956 /nfs/dbraw/zinc/80/09/56/1429800956.db2.gz OBMZDWRWKSTJCT-QRVBRYPASA-N 2 1 337.552 3.218 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)CC1(C)C ZINC001733875946 1437703050 /nfs/dbraw/zinc/70/30/50/1437703050.db2.gz QCZHLEKGPFZOAL-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](C[C@@H](C)CC(C)C)CC1(C)C ZINC001733877691 1437704388 /nfs/dbraw/zinc/70/43/88/1437704388.db2.gz DKPAPYLNECDRRW-FUHWJXTLSA-N 2 1 348.535 3.090 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](C[C@@H](C)CC(C)C)CC1(C)C ZINC001733877691 1437704391 /nfs/dbraw/zinc/70/43/91/1437704391.db2.gz DKPAPYLNECDRRW-FUHWJXTLSA-N 2 1 348.535 3.090 20 0 EGADMP CCC(CC)C[NH+]1CCC(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001752309168 1440169364 /nfs/dbraw/zinc/16/93/64/1440169364.db2.gz WUNBEELLQURLPG-UHFFFAOYSA-N 2 1 339.568 3.323 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001752309954 1440169821 /nfs/dbraw/zinc/16/98/21/1440169821.db2.gz ICQHHXDDPUCELW-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CCCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001752440031 1440181071 /nfs/dbraw/zinc/18/10/71/1440181071.db2.gz SNWTWGRYJBJFGF-MJGOQNOKSA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001752518596 1440191758 /nfs/dbraw/zinc/19/17/58/1440191758.db2.gz WCHLPDGRUUHBSN-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001752518596 1440191759 /nfs/dbraw/zinc/19/17/59/1440191759.db2.gz WCHLPDGRUUHBSN-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001752518596 1440191760 /nfs/dbraw/zinc/19/17/60/1440191760.db2.gz WCHLPDGRUUHBSN-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001752518595 1440191917 /nfs/dbraw/zinc/19/19/17/1440191917.db2.gz WCHLPDGRUUHBSN-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001752518595 1440191918 /nfs/dbraw/zinc/19/19/18/1440191918.db2.gz WCHLPDGRUUHBSN-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001752518595 1440191919 /nfs/dbraw/zinc/19/19/19/1440191919.db2.gz WCHLPDGRUUHBSN-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001752526415 1440193093 /nfs/dbraw/zinc/19/30/93/1440193093.db2.gz UVROEUNQDTUWHU-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)[C@H](C)c2ccccc2)C1 ZINC001752527671 1440193548 /nfs/dbraw/zinc/19/35/48/1440193548.db2.gz LXMRCUYHRDJDKD-RTBURBONSA-N 2 1 345.531 3.260 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H](C[N@H+](C)[C@H](C)c2ccccc2)C1 ZINC001752527671 1440193549 /nfs/dbraw/zinc/19/35/49/1440193549.db2.gz LXMRCUYHRDJDKD-RTBURBONSA-N 2 1 345.531 3.260 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H](C[N@@H+](C)[C@H](C)c2ccccc2)C1 ZINC001752527671 1440193550 /nfs/dbraw/zinc/19/35/50/1440193550.db2.gz LXMRCUYHRDJDKD-RTBURBONSA-N 2 1 345.531 3.260 20 0 EGADMP C[NH+](C)C1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCCC2)CCC1 ZINC001752695925 1440200844 /nfs/dbraw/zinc/20/08/44/1440200844.db2.gz KDTNXLLCBAMTKM-YQQQUEKLSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccsc1 ZINC001752699482 1440201609 /nfs/dbraw/zinc/20/16/09/1440201609.db2.gz YTZIKFMTACJCDK-AYHJJNSGSA-N 2 1 349.544 3.092 20 0 EGADMP CCC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccsc1 ZINC001752699482 1440201610 /nfs/dbraw/zinc/20/16/10/1440201610.db2.gz YTZIKFMTACJCDK-AYHJJNSGSA-N 2 1 349.544 3.092 20 0 EGADMP CCC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccsc1 ZINC001752699482 1440201611 /nfs/dbraw/zinc/20/16/11/1440201611.db2.gz YTZIKFMTACJCDK-AYHJJNSGSA-N 2 1 349.544 3.092 20 0 EGADMP CCCCC[N@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001752781924 1440209234 /nfs/dbraw/zinc/20/92/34/1440209234.db2.gz ASPSOHHPDVZUTH-QGZVFWFLSA-N 2 1 342.487 3.275 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001752809550 1440216345 /nfs/dbraw/zinc/21/63/45/1440216345.db2.gz GPWDWOFATNJCMU-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@@H]1CCCC[N@H+]1CCC1=CCCCC1 ZINC001752820074 1440219964 /nfs/dbraw/zinc/21/99/64/1440219964.db2.gz IXAPYAMCYFICRL-IBGZPJMESA-N 2 1 335.536 3.189 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001752850315 1440233453 /nfs/dbraw/zinc/23/34/53/1440233453.db2.gz BWQGHPOGVHJJHV-DAWZGUTISA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001752903494 1440243628 /nfs/dbraw/zinc/24/36/28/1440243628.db2.gz PQHLIKYBINRVLT-IEBWSBKVSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001752991756 1440259624 /nfs/dbraw/zinc/25/96/24/1440259624.db2.gz XSLBHCMZZFFIQF-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001752991756 1440259625 /nfs/dbraw/zinc/25/96/25/1440259625.db2.gz XSLBHCMZZFFIQF-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001752991756 1440259626 /nfs/dbraw/zinc/25/96/26/1440259626.db2.gz XSLBHCMZZFFIQF-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CC[C@H](C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001753000381 1440264293 /nfs/dbraw/zinc/26/42/93/1440264293.db2.gz RXXDWDRWJQQBOX-PXNSSMCTSA-N 2 1 345.531 3.331 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001753033889 1440273811 /nfs/dbraw/zinc/27/38/11/1440273811.db2.gz VJFCMPNPRMTJEO-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NCCC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001753033889 1440273812 /nfs/dbraw/zinc/27/38/12/1440273812.db2.gz VJFCMPNPRMTJEO-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NCCC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001753033889 1440273813 /nfs/dbraw/zinc/27/38/13/1440273813.db2.gz VJFCMPNPRMTJEO-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001753049684 1440278614 /nfs/dbraw/zinc/27/86/14/1440278614.db2.gz MTIUJDUHAOSLLD-LJQANCHMSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001753091134 1440299211 /nfs/dbraw/zinc/29/92/11/1440299211.db2.gz JQTRBPVEJBZVOK-FQEVSTJZSA-N 2 1 345.531 3.308 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)CCC(C)(C)C ZINC001753091252 1440299375 /nfs/dbraw/zinc/29/93/75/1440299375.db2.gz OCVHPNUXQNBAPI-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@@H](C)c1cccc(C)c1 ZINC001753115615 1440311036 /nfs/dbraw/zinc/31/10/36/1440311036.db2.gz GESOTHJSEWPUEI-ICSRJNTNSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)c1cccc(C)c1 ZINC001753115615 1440311037 /nfs/dbraw/zinc/31/10/37/1440311037.db2.gz GESOTHJSEWPUEI-ICSRJNTNSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)c1cccc(C)c1 ZINC001753115615 1440311038 /nfs/dbraw/zinc/31/10/38/1440311038.db2.gz GESOTHJSEWPUEI-ICSRJNTNSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccccc1CC ZINC001753145775 1440324302 /nfs/dbraw/zinc/32/43/02/1440324302.db2.gz UUYPMDUUUVTDDH-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1ccccc1CC ZINC001753145775 1440324303 /nfs/dbraw/zinc/32/43/03/1440324303.db2.gz UUYPMDUUUVTDDH-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1ccccc1CC ZINC001753145775 1440324304 /nfs/dbraw/zinc/32/43/04/1440324304.db2.gz UUYPMDUUUVTDDH-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001753331594 1440369747 /nfs/dbraw/zinc/36/97/47/1440369747.db2.gz WYTKDHBZRJMLCY-GOSISDBHSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001753337336 1440373141 /nfs/dbraw/zinc/37/31/41/1440373141.db2.gz LYKACFAWMUMTLS-MOPGFXCFSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001753337336 1440373142 /nfs/dbraw/zinc/37/31/42/1440373142.db2.gz LYKACFAWMUMTLS-MOPGFXCFSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001753337336 1440373143 /nfs/dbraw/zinc/37/31/43/1440373143.db2.gz LYKACFAWMUMTLS-MOPGFXCFSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001753341232 1440375522 /nfs/dbraw/zinc/37/55/22/1440375522.db2.gz UBCBZXGTGNHTOX-QUCCMNQESA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001753341232 1440375523 /nfs/dbraw/zinc/37/55/23/1440375523.db2.gz UBCBZXGTGNHTOX-QUCCMNQESA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001753341232 1440375524 /nfs/dbraw/zinc/37/55/24/1440375524.db2.gz UBCBZXGTGNHTOX-QUCCMNQESA-N 2 1 345.531 3.306 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H](C[N@@H+](C)CCC(C)(C)C)C1)CC(C)(C)C ZINC001753355391 1440379673 /nfs/dbraw/zinc/37/96/73/1440379673.db2.gz HOQQDSZAENUTLP-QGZVFWFLSA-N 2 1 339.568 3.181 20 0 EGADMP C[NH+](CCC(C)(C)C)C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001753355391 1440379674 /nfs/dbraw/zinc/37/96/74/1440379674.db2.gz HOQQDSZAENUTLP-QGZVFWFLSA-N 2 1 339.568 3.181 20 0 EGADMP C[NH+](CCC(C)(C)C)C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001753355391 1440379675 /nfs/dbraw/zinc/37/96/75/1440379675.db2.gz HOQQDSZAENUTLP-QGZVFWFLSA-N 2 1 339.568 3.181 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC(C[NH+](C)CCC2=CCCCC2)CC1 ZINC001753368031 1440386598 /nfs/dbraw/zinc/38/65/98/1440386598.db2.gz UHALFPYWXCLIAK-UHFFFAOYSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC(C[N@H+](C)CCC2=CCCCC2)CC1 ZINC001753368031 1440386599 /nfs/dbraw/zinc/38/65/99/1440386599.db2.gz UHALFPYWXCLIAK-UHFFFAOYSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC(C[N@@H+](C)CCC2=CCCCC2)CC1 ZINC001753368031 1440386600 /nfs/dbraw/zinc/38/66/00/1440386600.db2.gz UHALFPYWXCLIAK-UHFFFAOYSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001753459337 1440409719 /nfs/dbraw/zinc/40/97/19/1440409719.db2.gz OUFWYLUWVUFOGQ-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC/C=C\CC[NH2+]C[C@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@H]1C ZINC001753534198 1440431881 /nfs/dbraw/zinc/43/18/81/1440431881.db2.gz QQMALTPNTZUMDN-DEEXUGAQSA-N 2 1 346.519 3.203 20 0 EGADMP CCCCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001753549850 1440434734 /nfs/dbraw/zinc/43/47/34/1440434734.db2.gz FMYNBMZPCNQFHZ-RBUKOAKNSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001753595372 1440444478 /nfs/dbraw/zinc/44/44/78/1440444478.db2.gz WAJVQIFYRCHRGM-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCCC2CC[NH+](CCC3CCCC3)CC2)C1 ZINC001753599106 1440445826 /nfs/dbraw/zinc/44/58/26/1440445826.db2.gz CQBFJLUZGOMKKK-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C[NH2+]CCC(C)(C)C ZINC001753644715 1440455538 /nfs/dbraw/zinc/45/55/38/1440455538.db2.gz LMRCLVRZQWWBKI-FUHWJXTLSA-N 2 1 333.520 3.067 20 0 EGADMP CC(C)C[C@@H](C[NH2+][C@@H]1CCc2ccccc21)NC(=O)C[N@@H+](C)C(C)C ZINC001753743926 1440480292 /nfs/dbraw/zinc/48/02/92/1440480292.db2.gz XMLWJSUJUUJXCO-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CC[NH2+]C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C1CCCCC1 ZINC001753746044 1440481152 /nfs/dbraw/zinc/48/11/52/1440481152.db2.gz MUJMBDKUGMSKOD-DOTOQJQBSA-N 2 1 334.508 3.071 20 0 EGADMP CC(C)=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001753785205 1440487982 /nfs/dbraw/zinc/48/79/82/1440487982.db2.gz SXDZORKTTVQODE-GBESFXJTSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CC=C(C)C)CC1 ZINC001753820325 1440495569 /nfs/dbraw/zinc/49/55/69/1440495569.db2.gz TXKLOPHAGMRQQJ-FQEVSTJZSA-N 2 1 349.563 3.388 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CC=C(C)C)CC1 ZINC001753820325 1440495570 /nfs/dbraw/zinc/49/55/70/1440495570.db2.gz TXKLOPHAGMRQQJ-FQEVSTJZSA-N 2 1 349.563 3.388 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CC=C(C)C)CC1 ZINC001753820325 1440495571 /nfs/dbraw/zinc/49/55/71/1440495571.db2.gz TXKLOPHAGMRQQJ-FQEVSTJZSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001753864359 1440513348 /nfs/dbraw/zinc/51/33/48/1440513348.db2.gz ISOBKLOFICEWTJ-MOPGFXCFSA-N 2 1 339.568 3.322 20 0 EGADMP CC(C)C[C@@H](C)C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001753864359 1440513349 /nfs/dbraw/zinc/51/33/49/1440513349.db2.gz ISOBKLOFICEWTJ-MOPGFXCFSA-N 2 1 339.568 3.322 20 0 EGADMP CC(C)C[C@@H](C)C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001753864359 1440513350 /nfs/dbraw/zinc/51/33/50/1440513350.db2.gz ISOBKLOFICEWTJ-MOPGFXCFSA-N 2 1 339.568 3.322 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CCCC2CCCC2)C1 ZINC001753877781 1440519852 /nfs/dbraw/zinc/51/98/52/1440519852.db2.gz JOFPMYNYJYGLDN-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCC2CCCC2)C1 ZINC001753877781 1440519853 /nfs/dbraw/zinc/51/98/53/1440519853.db2.gz JOFPMYNYJYGLDN-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCCC2CCCC2)C1 ZINC001753877781 1440519854 /nfs/dbraw/zinc/51/98/54/1440519854.db2.gz JOFPMYNYJYGLDN-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(CC[NH2+]CC1CCCCC1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001754085129 1440540109 /nfs/dbraw/zinc/54/01/09/1440540109.db2.gz UMIBUFKMWGMAAN-HXUWFJFHSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cc(C)sc1C ZINC001754131279 1440543627 /nfs/dbraw/zinc/54/36/27/1440543627.db2.gz ZCHMUJMADQTRBL-XFHJGTJQSA-N 2 1 349.544 3.001 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCC1CCCCC1 ZINC001754213370 1440551556 /nfs/dbraw/zinc/55/15/56/1440551556.db2.gz LEPZQKXRTVFXLV-QULHZPMSSA-N 2 1 335.536 3.093 20 0 EGADMP CN(CCC[NH2+]CCCC(C)(C)C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001754380597 1440593388 /nfs/dbraw/zinc/59/33/88/1440593388.db2.gz XUEWZPHFOKVSCJ-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001754400813 1440595110 /nfs/dbraw/zinc/59/51/10/1440595110.db2.gz IIWXRKHQAFGXLW-FQEVSTJZSA-N 2 1 345.531 3.196 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CC1 ZINC001754528053 1440621688 /nfs/dbraw/zinc/62/16/88/1440621688.db2.gz ZPVMYQYNNWXDFG-QGZVFWFLSA-N 2 1 337.552 3.314 20 0 EGADMP C[NH+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CCCCCC1 ZINC001754554147 1440630847 /nfs/dbraw/zinc/63/08/47/1440630847.db2.gz XQZCWTVSLYJUID-BGYRXZFFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001754558212 1440632498 /nfs/dbraw/zinc/63/24/98/1440632498.db2.gz ZRIGEVSNNKXHSL-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001754558212 1440632499 /nfs/dbraw/zinc/63/24/99/1440632499.db2.gz ZRIGEVSNNKXHSL-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001754558212 1440632500 /nfs/dbraw/zinc/63/25/00/1440632500.db2.gz ZRIGEVSNNKXHSL-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCC2CCC2)C1 ZINC001754697043 1440667294 /nfs/dbraw/zinc/66/72/94/1440667294.db2.gz JNMJTMKGCPSDIO-PZJWPPBQSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCC2(C)CC[NH+](CCC3CCCC3)CC2)C1 ZINC001754721354 1440673321 /nfs/dbraw/zinc/67/33/21/1440673321.db2.gz LGGXHRFLMWPANH-IBGZPJMESA-N 2 1 349.563 3.127 20 0 EGADMP CC[C@@H](C(=O)NC[C@]1(C)CCC[N@@H+](CC=C(C)C)C1)[NH+](CC)CC ZINC001754730248 1440678755 /nfs/dbraw/zinc/67/87/55/1440678755.db2.gz DKSPZBWYVLKRIM-ICSRJNTNSA-N 2 1 337.552 3.291 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@]1(C)CCC[NH+](CC2CCCCC2)C1 ZINC001754733561 1440681078 /nfs/dbraw/zinc/68/10/78/1440681078.db2.gz NBJOWUAUPITNMU-FQEVSTJZSA-N 2 1 337.552 3.127 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001754869844 1440704581 /nfs/dbraw/zinc/70/45/81/1440704581.db2.gz QPTQOXQBRKWDGD-GBESFXJTSA-N 2 1 337.552 3.362 20 0 EGADMP C[N@@H+](CCC(C)(C)C)Cc1ccccc1CNC(=O)C[NH+]1CCCC1 ZINC001754954346 1440715982 /nfs/dbraw/zinc/71/59/82/1440715982.db2.gz QXYALXYQNHBEHF-UHFFFAOYSA-N 2 1 345.531 3.267 20 0 EGADMP CC(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001755038197 1440735643 /nfs/dbraw/zinc/73/56/43/1440735643.db2.gz PYYQXHWJZPYNHT-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001755038197 1440735644 /nfs/dbraw/zinc/73/56/44/1440735644.db2.gz PYYQXHWJZPYNHT-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001755038197 1440735645 /nfs/dbraw/zinc/73/56/45/1440735645.db2.gz PYYQXHWJZPYNHT-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCC1([NH2+]Cc2ccc(F)cc2)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001755075089 1440748124 /nfs/dbraw/zinc/74/81/24/1440748124.db2.gz XNNJWLRQALVNLQ-UHFFFAOYSA-N 2 1 349.494 3.027 20 0 EGADMP CC[N@@H+](CC=C(C)C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001755181962 1440771188 /nfs/dbraw/zinc/77/11/88/1440771188.db2.gz FEVNSYLRYQARIC-HXUWFJFHSA-N 2 1 349.563 3.386 20 0 EGADMP CC[NH+](CC=C(C)C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001755181962 1440771189 /nfs/dbraw/zinc/77/11/89/1440771189.db2.gz FEVNSYLRYQARIC-HXUWFJFHSA-N 2 1 349.563 3.386 20 0 EGADMP CC[NH+](CC=C(C)C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001755181962 1440771190 /nfs/dbraw/zinc/77/11/90/1440771190.db2.gz FEVNSYLRYQARIC-HXUWFJFHSA-N 2 1 349.563 3.386 20 0 EGADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H](C)[N@H+](C)CCCC(C)(C)C)CC2 ZINC001755312893 1440814188 /nfs/dbraw/zinc/81/41/88/1440814188.db2.gz JJRYZTGMSMQPGR-DOTOQJQBSA-N 2 1 348.535 3.017 20 0 EGADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H](C)[N@@H+](C)CCCC(C)(C)C)CC2 ZINC001755312893 1440814189 /nfs/dbraw/zinc/81/41/89/1440814189.db2.gz JJRYZTGMSMQPGR-DOTOQJQBSA-N 2 1 348.535 3.017 20 0 EGADMP CC/C=C/CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001755366907 1440835216 /nfs/dbraw/zinc/83/52/16/1440835216.db2.gz AFTLXRAYOGKREW-WWAPKCSDSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001755366907 1440835217 /nfs/dbraw/zinc/83/52/17/1440835217.db2.gz AFTLXRAYOGKREW-WWAPKCSDSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001755366907 1440835218 /nfs/dbraw/zinc/83/52/18/1440835218.db2.gz AFTLXRAYOGKREW-WWAPKCSDSA-N 2 1 335.536 3.045 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC001755412561 1440847083 /nfs/dbraw/zinc/84/70/83/1440847083.db2.gz VPPUXBABCCLTLQ-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@]2(C)C[NH+](CCC3CCCC3)C[C@]2(C)C1 ZINC001755460904 1440857282 /nfs/dbraw/zinc/85/72/82/1440857282.db2.gz PCKCRHBOLMVNKX-OYRHEFFESA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@]2(C)C[N@H+](CCC3CCCC3)C[C@]2(C)C1 ZINC001755460904 1440857283 /nfs/dbraw/zinc/85/72/83/1440857283.db2.gz PCKCRHBOLMVNKX-OYRHEFFESA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@]2(C)C[N@@H+](CCC3CCCC3)C[C@]2(C)C1 ZINC001755460904 1440857284 /nfs/dbraw/zinc/85/72/84/1440857284.db2.gz PCKCRHBOLMVNKX-OYRHEFFESA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001755472182 1440858979 /nfs/dbraw/zinc/85/89/79/1440858979.db2.gz ONKJWKIZBNVRNF-BJLQDIEVSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001755686196 1440895895 /nfs/dbraw/zinc/89/58/95/1440895895.db2.gz HTIFMJUXNKMMPP-FUHWJXTLSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@H]1[C@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@H+]1CC1CCCCC1 ZINC001755723443 1440908329 /nfs/dbraw/zinc/90/83/29/1440908329.db2.gz PCSXTGVNRKCEQV-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC001755756835 1440914132 /nfs/dbraw/zinc/91/41/32/1440914132.db2.gz HDDHCBOJKUORDR-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)(C)[C@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755822121 1440926064 /nfs/dbraw/zinc/92/60/64/1440926064.db2.gz NMPWSIBGENTOPN-MJGOQNOKSA-N 2 1 349.563 3.172 20 0 EGADMP CCCC[NH2+]C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC001755839357 1440931192 /nfs/dbraw/zinc/93/11/92/1440931192.db2.gz KQKFHWPVVDBXAS-ZWKOTPCHSA-N 2 1 333.520 3.210 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H](C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001755846393 1440933536 /nfs/dbraw/zinc/93/35/36/1440933536.db2.gz YCOIRINBVADEJH-YLJYHZDGSA-N 2 1 345.531 3.305 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N(C)C1CC([NH2+]CC2CCC2)C1)c1ccccc1 ZINC001755863878 1440937325 /nfs/dbraw/zinc/93/73/25/1440937325.db2.gz OWGUFHLHTFXJKM-MHJFOBGBSA-N 2 1 343.515 3.059 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCCC2CCC2)C1 ZINC001755865962 1440937787 /nfs/dbraw/zinc/93/77/87/1440937787.db2.gz XSKKTDOOZDTVNS-CTWPCTMYSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC([NH3+])C3)CC2)nc1 ZINC001164388056 718802621 /nfs/dbraw/zinc/80/26/21/718802621.db2.gz QRXMVBSGXHCXDD-SFHVURJKSA-N 2 1 328.504 3.336 20 0 EGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CCC3(CCCC[NH2+]3)CC2)n1 ZINC001164387743 718803299 /nfs/dbraw/zinc/80/32/99/718803299.db2.gz NVWRRTQTQNDBBV-UHFFFAOYSA-N 2 1 348.922 3.443 20 0 EGADMP CN(CC1CC[NH+](C)CC1)c1[nH+]cnc2c1ccn2Cc1ccccc1 ZINC001165041452 721934343 /nfs/dbraw/zinc/93/43/43/721934343.db2.gz XQCXTANIVNQTKX-UHFFFAOYSA-N 2 1 349.482 3.258 20 0 EGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000174868392 231328859 /nfs/dbraw/zinc/32/88/59/231328859.db2.gz CIUDQBSTPRADTH-GOSISDBHSA-N 2 1 332.492 3.086 20 0 EGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000174868402 231328396 /nfs/dbraw/zinc/32/83/96/231328396.db2.gz CIUDQBSTPRADTH-SFHVURJKSA-N 2 1 332.492 3.086 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000178095687 232080743 /nfs/dbraw/zinc/08/07/43/232080743.db2.gz OHBXBCOINPXNPR-ZIAGYGMSSA-N 2 1 328.460 3.135 20 0 EGADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2sccc2Cl)C1 ZINC000193206948 240059869 /nfs/dbraw/zinc/05/98/69/240059869.db2.gz VMXKZOFDCXUKPZ-HNNXBMFYSA-N 2 1 336.888 3.258 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2sccc2Cl)C1 ZINC000193206948 240059876 /nfs/dbraw/zinc/05/98/76/240059876.db2.gz VMXKZOFDCXUKPZ-HNNXBMFYSA-N 2 1 336.888 3.258 20 0 EGADMP COCc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000092587204 218152644 /nfs/dbraw/zinc/15/26/44/218152644.db2.gz XNMZGIOSZRICIR-HDICACEKSA-N 2 1 346.515 3.154 20 0 EGADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(SC)cc1OC ZINC000093088660 218192836 /nfs/dbraw/zinc/19/28/36/218192836.db2.gz AXEWZQMUDYFNSJ-UHFFFAOYSA-N 2 1 338.517 3.199 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCc2cccnc2)C1 ZINC000093770526 218249232 /nfs/dbraw/zinc/24/92/32/218249232.db2.gz FOKRQFVPKHJEQD-LJQANCHMSA-N 2 1 339.483 3.434 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCc2cccnc2)C1 ZINC000093770526 218249235 /nfs/dbraw/zinc/24/92/35/218249235.db2.gz FOKRQFVPKHJEQD-LJQANCHMSA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000093770526 218249238 /nfs/dbraw/zinc/24/92/38/218249238.db2.gz FOKRQFVPKHJEQD-LJQANCHMSA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000093770526 218249241 /nfs/dbraw/zinc/24/92/41/218249241.db2.gz FOKRQFVPKHJEQD-LJQANCHMSA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC000268713904 252164414 /nfs/dbraw/zinc/16/44/14/252164414.db2.gz HXOHUMXGLSWILX-HNNXBMFYSA-N 2 1 332.492 3.351 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000268775834 252225672 /nfs/dbraw/zinc/22/56/72/252225672.db2.gz VRVMTPWJBWJJOC-APWZRJJASA-N 2 1 325.456 3.090 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000268775834 252225677 /nfs/dbraw/zinc/22/56/77/252225677.db2.gz VRVMTPWJBWJJOC-APWZRJJASA-N 2 1 325.456 3.090 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)CCCc2nc(-c3ccccc3)no2)CC1 ZINC000119607176 221358728 /nfs/dbraw/zinc/35/87/28/221358728.db2.gz POKGFOVHQDFJDO-UHFFFAOYSA-N 2 1 342.487 3.475 20 0 EGADMP CN(c1ccccc1C[N@@H+](C)C[C@@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC000119773634 221398032 /nfs/dbraw/zinc/39/80/32/221398032.db2.gz HBGWSHPAROZWJG-SFHVURJKSA-N 2 1 345.531 3.075 20 0 EGADMP Cc1ncsc1C[N@@H+](CCCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000328602511 258041136 /nfs/dbraw/zinc/04/11/36/258041136.db2.gz BWCUCZJILUQKBQ-SFHVURJKSA-N 2 1 329.513 3.496 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000179679340 533312639 /nfs/dbraw/zinc/31/26/39/533312639.db2.gz NCAUIFSMYUKIHO-UHFFFAOYSA-N 2 1 339.911 3.305 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC[N@@H+]1C ZINC000181249436 533658454 /nfs/dbraw/zinc/65/84/54/533658454.db2.gz XABASHUGIPSPTK-HZSPNIEDSA-N 2 1 325.859 3.130 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC[N@H+]1C ZINC000181249436 533658460 /nfs/dbraw/zinc/65/84/60/533658460.db2.gz XABASHUGIPSPTK-HZSPNIEDSA-N 2 1 325.859 3.130 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000237526782 141006388 /nfs/dbraw/zinc/00/63/88/141006388.db2.gz JKBHMIIAQBUBCI-MAUKXSAKSA-N 2 1 347.528 3.095 20 0 EGADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246944839 141044971 /nfs/dbraw/zinc/04/49/71/141044971.db2.gz UHVXJIRUWDRIER-GJNTUIEKSA-N 2 1 347.547 3.113 20 0 EGADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246944839 141044974 /nfs/dbraw/zinc/04/49/74/141044974.db2.gz UHVXJIRUWDRIER-GJNTUIEKSA-N 2 1 347.547 3.113 20 0 EGADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246944839 141044976 /nfs/dbraw/zinc/04/49/76/141044976.db2.gz UHVXJIRUWDRIER-GJNTUIEKSA-N 2 1 347.547 3.113 20 0 EGADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246944839 141044978 /nfs/dbraw/zinc/04/49/78/141044978.db2.gz UHVXJIRUWDRIER-GJNTUIEKSA-N 2 1 347.547 3.113 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338022379 141075645 /nfs/dbraw/zinc/07/56/45/141075645.db2.gz MLCKYPJPOWJJMZ-HLNWXESRSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338022379 141075647 /nfs/dbraw/zinc/07/56/47/141075647.db2.gz MLCKYPJPOWJJMZ-HLNWXESRSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338022379 141075648 /nfs/dbraw/zinc/07/56/48/141075648.db2.gz MLCKYPJPOWJJMZ-HLNWXESRSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000338043604 141079684 /nfs/dbraw/zinc/07/96/84/141079684.db2.gz JMYLYYYJIABOLP-FUHIMQAGSA-N 2 1 343.515 3.226 20 0 EGADMP CC[C@H](C(=O)NCC1(C[NH+](C)C)CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000339519770 141125268 /nfs/dbraw/zinc/12/52/68/141125268.db2.gz VMFXTWYGFGLFAP-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP OC1(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000342812751 141150019 /nfs/dbraw/zinc/15/00/19/141150019.db2.gz MTHGDYKETPTXRH-SLFFLAALSA-N 2 1 328.500 3.182 20 0 EGADMP CCN1C[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)[C@@H](C)C1 ZINC000344477574 141160944 /nfs/dbraw/zinc/16/09/44/141160944.db2.gz HGAHQFWBDBXCGC-UWJYYQICSA-N 2 1 341.499 3.341 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC(F)(F)C(F)(F)F)C[C@H]1C ZINC000346447444 141196325 /nfs/dbraw/zinc/19/63/25/141196325.db2.gz RBWJBJCJWABNFI-VXGBXAGGSA-N 2 1 332.357 3.005 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC(F)(F)C(F)(F)F)C[C@H]1C ZINC000346447444 141196326 /nfs/dbraw/zinc/19/63/26/141196326.db2.gz RBWJBJCJWABNFI-VXGBXAGGSA-N 2 1 332.357 3.005 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)c1OC ZINC000347904536 141213379 /nfs/dbraw/zinc/21/33/79/141213379.db2.gz BNBWTNWIEYMQCD-IEBWSBKVSA-N 2 1 344.499 3.461 20 0 EGADMP CCCn1cc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350561662 141254158 /nfs/dbraw/zinc/25/41/58/141254158.db2.gz YHLHETCMOMUYOB-LEWJYISDSA-N 2 1 340.515 3.465 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000356301450 141338959 /nfs/dbraw/zinc/33/89/59/141338959.db2.gz QGJUPEJLBWFCFB-CTNGQTDRSA-N 2 1 343.515 3.014 20 0 EGADMP Cc1noc(CCC[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000357956936 141367323 /nfs/dbraw/zinc/36/73/23/141367323.db2.gz HUBOAEMORARWQS-MRXNPFEDSA-N 2 1 334.508 3.287 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000186552832 144137151 /nfs/dbraw/zinc/13/71/51/144137151.db2.gz RTPLEJGPELUDGI-UHFFFAOYSA-N 2 1 325.460 3.383 20 0 EGADMP COc1c(Br)cccc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000187281809 144156240 /nfs/dbraw/zinc/15/62/40/144156240.db2.gz AGTGYILEGVXBKH-ZIAGYGMSSA-N 2 1 341.293 3.420 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351498801 144270008 /nfs/dbraw/zinc/27/00/08/144270008.db2.gz VTUAFVZKPSIRDG-VUBSUSDNSA-N 2 1 349.478 3.350 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351498801 144270011 /nfs/dbraw/zinc/27/00/11/144270011.db2.gz VTUAFVZKPSIRDG-VUBSUSDNSA-N 2 1 349.478 3.350 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000351575189 144282769 /nfs/dbraw/zinc/28/27/69/144282769.db2.gz RIHPXHFQLORPJM-IRXDYDNUSA-N 2 1 344.421 3.447 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000351575189 144282770 /nfs/dbraw/zinc/28/27/70/144282770.db2.gz RIHPXHFQLORPJM-IRXDYDNUSA-N 2 1 344.421 3.447 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000351847579 144315838 /nfs/dbraw/zinc/31/58/38/144315838.db2.gz ANJDENXNCQPZDI-LESCRADOSA-N 2 1 349.494 3.088 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000351847579 144315839 /nfs/dbraw/zinc/31/58/39/144315839.db2.gz ANJDENXNCQPZDI-LESCRADOSA-N 2 1 349.494 3.088 20 0 EGADMP Cc1cccc2ncc(CN3CCC[C@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)n21 ZINC000352288336 144323337 /nfs/dbraw/zinc/32/33/37/144323337.db2.gz ZUORDPKMBIOOPY-KSZLIROESA-N 2 1 326.488 3.480 20 0 EGADMP CC(C)CCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000374202358 144531826 /nfs/dbraw/zinc/53/18/26/144531826.db2.gz QMAZLHDMPONWQA-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC3(CCCO3)CC2)[C@@H](C)C1 ZINC000370063684 286058539 /nfs/dbraw/zinc/05/85/39/286058539.db2.gz RSULDVMBRPDPOG-LHQJTOJGSA-N 2 1 338.536 3.205 20 0 EGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccccc1 ZINC000118949394 152161719 /nfs/dbraw/zinc/16/17/19/152161719.db2.gz BPQXDDVJLGEXQW-FXAWDEMLSA-N 2 1 334.504 3.101 20 0 EGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccccc1 ZINC000118949394 152161720 /nfs/dbraw/zinc/16/17/20/152161720.db2.gz BPQXDDVJLGEXQW-FXAWDEMLSA-N 2 1 334.504 3.101 20 0 EGADMP COC1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000336667929 154208845 /nfs/dbraw/zinc/20/88/45/154208845.db2.gz ACXCCXAHNFLXOE-LHBDJYESSA-N 2 1 328.500 3.444 20 0 EGADMP COCC1(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000336731196 154212220 /nfs/dbraw/zinc/21/22/20/154212220.db2.gz YOSGUSPKAIUYKF-PMACEKPBSA-N 2 1 328.500 3.257 20 0 EGADMP COCC1(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000336731196 154212222 /nfs/dbraw/zinc/21/22/22/154212222.db2.gz YOSGUSPKAIUYKF-PMACEKPBSA-N 2 1 328.500 3.257 20 0 EGADMP COCC1(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000336731196 154212223 /nfs/dbraw/zinc/21/22/23/154212223.db2.gz YOSGUSPKAIUYKF-PMACEKPBSA-N 2 1 328.500 3.257 20 0 EGADMP CCC[N@@H+](CCCc1nc(-c2cccs2)no1)C1CC[NH2+]CC1 ZINC000336865642 154220895 /nfs/dbraw/zinc/22/08/95/154220895.db2.gz YERKYYOPVSBMOA-UHFFFAOYSA-N 2 1 334.489 3.195 20 0 EGADMP CC(C)OC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000337347630 154297937 /nfs/dbraw/zinc/29/79/37/154297937.db2.gz XTOBJOINLBPOEB-KURKYZTESA-N 2 1 334.504 3.199 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000337388292 154326392 /nfs/dbraw/zinc/32/63/92/154326392.db2.gz MGDRDSIXQHLRMS-HNNXBMFYSA-N 2 1 331.460 3.128 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000337403358 154334769 /nfs/dbraw/zinc/33/47/69/154334769.db2.gz RYYSZDQHUFFUBW-JQHSSLGASA-N 2 1 332.488 3.160 20 0 EGADMP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000339935442 155040480 /nfs/dbraw/zinc/04/04/80/155040480.db2.gz HGYIGGVEFVGTOT-KRWDZBQOSA-N 2 1 348.535 3.056 20 0 EGADMP C[NH+](C)[C@@H](CNc1cc[nH+]cc1Br)c1ccc(F)cc1 ZINC000339969385 155055332 /nfs/dbraw/zinc/05/53/32/155055332.db2.gz SNODFZRRRJPPTO-HNNXBMFYSA-N 2 1 338.224 3.120 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346816666 156147946 /nfs/dbraw/zinc/14/79/46/156147946.db2.gz FAQWFBWLOHARCS-CWFSZBLJSA-N 2 1 342.462 3.187 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1OCC(C)C ZINC000346848899 156163628 /nfs/dbraw/zinc/16/36/28/156163628.db2.gz FOMFSRQGRWTBGJ-BZSNNMDCSA-N 2 1 332.488 3.289 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000346959048 156217441 /nfs/dbraw/zinc/21/74/41/156217441.db2.gz CUHYBKAJNIQKJM-QZTJIDSGSA-N 2 1 345.531 3.276 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347016741 156249156 /nfs/dbraw/zinc/24/91/56/156249156.db2.gz KBYIFKLLAANZFV-BBRMVZONSA-N 2 1 330.451 3.187 20 0 EGADMP Cc1ccc(N2CCC([NH2+][C@@H](C)Cc3ccc(O)cc3)CC2)[nH+]c1 ZINC000352614860 156380554 /nfs/dbraw/zinc/38/05/54/156380554.db2.gz DSAQNEHDTQIDLN-INIZCTEOSA-N 2 1 325.456 3.285 20 0 EGADMP COC1CC[NH+](C2(C[NH2+]C3CC(OC(C)(C)C)C3)CCCC2)CC1 ZINC000352747221 156460371 /nfs/dbraw/zinc/46/03/71/156460371.db2.gz DEWQDPDVMPKGRF-UHFFFAOYSA-N 2 1 338.536 3.346 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000125969979 162291172 /nfs/dbraw/zinc/29/11/72/162291172.db2.gz SZYAFEFTXKDPKB-DYXWJJEUSA-N 2 1 344.547 3.002 20 0 EGADMP COc1ccc(CC[C@H]2CCCC[N@H+]2CCn2ccnc2)cc1OC ZINC000131028166 162387955 /nfs/dbraw/zinc/38/79/55/162387955.db2.gz IZMVPKWQDYWZEG-GOSISDBHSA-N 2 1 343.471 3.388 20 0 EGADMP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248401955 163000138 /nfs/dbraw/zinc/00/01/38/163000138.db2.gz MMVYPVXLEVAAER-HQRMLTQVSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248401955 163000140 /nfs/dbraw/zinc/00/01/40/163000140.db2.gz MMVYPVXLEVAAER-HQRMLTQVSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000248919921 163046935 /nfs/dbraw/zinc/04/69/35/163046935.db2.gz DYLLAMQNOFIDDX-HKBOAZHASA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248919921 163046941 /nfs/dbraw/zinc/04/69/41/163046941.db2.gz DYLLAMQNOFIDDX-HKBOAZHASA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248919921 163046944 /nfs/dbraw/zinc/04/69/44/163046944.db2.gz DYLLAMQNOFIDDX-HKBOAZHASA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H](C[C@@H](O)c1ccco1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000305737720 163080208 /nfs/dbraw/zinc/08/02/08/163080208.db2.gz MMXOHDYKBIGFQP-QFBILLFUSA-N 2 1 328.456 3.346 20 0 EGADMP COc1ccc(OCCC[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000337074972 163122066 /nfs/dbraw/zinc/12/20/66/163122066.db2.gz PSQBGSXEXNVUGJ-NQIIRXRSSA-N 2 1 340.467 3.138 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccnn2C(C)C)CC1 ZINC000337188467 163156980 /nfs/dbraw/zinc/15/69/80/163156980.db2.gz QUIXTFNPPSYPAK-UHFFFAOYSA-N 2 1 336.524 3.034 20 0 EGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCCC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000337192311 163157901 /nfs/dbraw/zinc/15/79/01/163157901.db2.gz UNWIKKHPZYDODX-QZTJIDSGSA-N 2 1 340.552 3.403 20 0 EGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000354332552 166004375 /nfs/dbraw/zinc/00/43/75/166004375.db2.gz IIUCRVZLRZZTOA-OALUTQOASA-N 2 1 349.519 3.298 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000098144372 287031602 /nfs/dbraw/zinc/03/16/02/287031602.db2.gz OYBKCCBZOYQBFS-RHSMWYFYSA-N 2 1 344.421 3.449 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000343899273 164061457 /nfs/dbraw/zinc/06/14/57/164061457.db2.gz ADWRODMGJHUYQX-KRWDZBQOSA-N 2 1 349.862 3.193 20 0 EGADMP CC[C@@H](c1ccc(F)cc1F)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344020004 164083498 /nfs/dbraw/zinc/08/34/98/164083498.db2.gz AFWYLHOLQFZQGF-SFHVURJKSA-N 2 1 327.463 3.231 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[NH+](CC)C[C@H]2C)cc1 ZINC000345931492 164297780 /nfs/dbraw/zinc/29/77/80/164297780.db2.gz WJAVQYPTRULLPM-QZTJIDSGSA-N 2 1 345.531 3.473 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)cc1 ZINC000345931492 164297781 /nfs/dbraw/zinc/29/77/81/164297781.db2.gz WJAVQYPTRULLPM-QZTJIDSGSA-N 2 1 345.531 3.473 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)cc1 ZINC000345931492 164297783 /nfs/dbraw/zinc/29/77/83/164297783.db2.gz WJAVQYPTRULLPM-QZTJIDSGSA-N 2 1 345.531 3.473 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc3n[nH]c(C)c3c2)CC1 ZINC000350143734 165010667 /nfs/dbraw/zinc/01/06/67/165010667.db2.gz AKNQHBKBQNQBHS-UHFFFAOYSA-N 2 1 329.492 3.210 20 0 EGADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C(C)(C)C1 ZINC000350161032 165014548 /nfs/dbraw/zinc/01/45/48/165014548.db2.gz XPFJPBSXZHPWSC-KRWDZBQOSA-N 2 1 343.515 3.019 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC000350259426 165022871 /nfs/dbraw/zinc/02/28/71/165022871.db2.gz VOIUVLOIMRHHDD-GDBMZVCRSA-N 2 1 326.431 3.459 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC000350259426 165022873 /nfs/dbraw/zinc/02/28/73/165022873.db2.gz VOIUVLOIMRHHDD-GDBMZVCRSA-N 2 1 326.431 3.459 20 0 EGADMP Cc1[nH]nc2ncc(C[NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000352075683 165221743 /nfs/dbraw/zinc/22/17/43/165221743.db2.gz FILZMGXZRLZOLF-BEFAXECRSA-N 2 1 349.482 3.267 20 0 EGADMP C[NH+](C)CC1(C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CCCC1 ZINC000355070721 166098868 /nfs/dbraw/zinc/09/88/68/166098868.db2.gz UBXGPDUUWZYMHV-FQEVSTJZSA-N 2 1 338.499 3.472 20 0 EGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000355121372 166112127 /nfs/dbraw/zinc/11/21/27/166112127.db2.gz IFGDIEHYCLVWHS-PCCBWWKXSA-N 2 1 346.515 3.072 20 0 EGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000355121372 166112131 /nfs/dbraw/zinc/11/21/31/166112131.db2.gz IFGDIEHYCLVWHS-PCCBWWKXSA-N 2 1 346.515 3.072 20 0 EGADMP CC[N@@H+](CCNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)C(C)C ZINC000355395082 166183862 /nfs/dbraw/zinc/18/38/62/166183862.db2.gz DMDJKQGCJZFENQ-QGZVFWFLSA-N 2 1 348.535 3.145 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000355599876 166256915 /nfs/dbraw/zinc/25/69/15/166256915.db2.gz OSHFDIQZVVOWBX-NRFANRHFSA-N 2 1 345.531 3.220 20 0 EGADMP CC[C@@H](C(=O)N[C@H](c1ncc[nH]1)C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000355963088 166360490 /nfs/dbraw/zinc/36/04/90/166360490.db2.gz UGKBIDOEIXHUPP-IRXDYDNUSA-N 2 1 328.460 3.134 20 0 EGADMP CC[C@@H](C(=O)N[C@H](c1ncc[nH]1)C(C)C)N(C)Cc1ccccc1 ZINC000355963088 166360494 /nfs/dbraw/zinc/36/04/94/166360494.db2.gz UGKBIDOEIXHUPP-IRXDYDNUSA-N 2 1 328.460 3.134 20 0 EGADMP CC[NH2+][C@@H](C)CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000358926760 167008516 /nfs/dbraw/zinc/00/85/16/167008516.db2.gz CHHATOTWUNTHDV-KRWDZBQOSA-N 2 1 339.483 3.046 20 0 EGADMP CC1CC[NH+](CCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000359144580 167080024 /nfs/dbraw/zinc/08/00/24/167080024.db2.gz TVIICIDTBUIIHD-CTNGQTDRSA-N 2 1 329.532 3.361 20 0 EGADMP FC(F)(F)c1cccc([C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)c1 ZINC000359191024 167091588 /nfs/dbraw/zinc/09/15/88/167091588.db2.gz NYFQSOYYGXAOPB-QGZVFWFLSA-N 2 1 342.405 3.468 20 0 EGADMP COc1cccc(C[N@@H+](CCC2CC[NH2+]CC2)C[C@H]2CCCO2)c1 ZINC000359223951 167099616 /nfs/dbraw/zinc/09/96/16/167099616.db2.gz RKAJEKGCLXULIA-HXUWFJFHSA-N 2 1 332.488 3.066 20 0 EGADMP CCOC(=O)c1c[nH+]ccc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000359520897 167177584 /nfs/dbraw/zinc/17/75/84/167177584.db2.gz ZZXZJDZBMPYQAU-DLBZAZTESA-N 2 1 345.487 3.349 20 0 EGADMP CCOC(=O)c1c[nH+]ccc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000359520897 167177587 /nfs/dbraw/zinc/17/75/87/167177587.db2.gz ZZXZJDZBMPYQAU-DLBZAZTESA-N 2 1 345.487 3.349 20 0 EGADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+](CC)CC ZINC000359890707 167259758 /nfs/dbraw/zinc/25/97/58/167259758.db2.gz VUQAOOFWSFIOJB-YSIASYRMSA-N 2 1 345.531 3.134 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H](C)C3)cc2)CC1 ZINC000360720165 167396812 /nfs/dbraw/zinc/39/68/12/167396812.db2.gz XOVWLMHFMBMOIJ-NQIIRXRSSA-N 2 1 329.532 3.492 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000366224896 168096271 /nfs/dbraw/zinc/09/62/71/168096271.db2.gz ZEXQDWPURNAUJK-TYPHKJRUSA-N 2 1 329.532 3.219 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000366224896 168096272 /nfs/dbraw/zinc/09/62/72/168096272.db2.gz ZEXQDWPURNAUJK-TYPHKJRUSA-N 2 1 329.532 3.219 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000366224896 168096276 /nfs/dbraw/zinc/09/62/76/168096276.db2.gz ZEXQDWPURNAUJK-TYPHKJRUSA-N 2 1 329.532 3.219 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000366675315 168129155 /nfs/dbraw/zinc/12/91/55/168129155.db2.gz BSJFDBNZRRIYDL-UHFFFAOYSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000366836505 168146580 /nfs/dbraw/zinc/14/65/80/168146580.db2.gz NITUJYBEBXYOGR-QAPCUYQASA-N 2 1 337.458 3.082 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000366836505 168146581 /nfs/dbraw/zinc/14/65/81/168146581.db2.gz NITUJYBEBXYOGR-QAPCUYQASA-N 2 1 337.458 3.082 20 0 EGADMP CC(C)(C)c1ncc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000367040212 168171255 /nfs/dbraw/zinc/17/12/55/168171255.db2.gz GRHKKVMVIWBCNV-GOSISDBHSA-N 2 1 338.499 3.386 20 0 EGADMP CC(C)(C)c1ncc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000367040212 168171258 /nfs/dbraw/zinc/17/12/58/168171258.db2.gz GRHKKVMVIWBCNV-GOSISDBHSA-N 2 1 338.499 3.386 20 0 EGADMP Cc1cccc(Cl)c1NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199007 168192250 /nfs/dbraw/zinc/19/22/50/168192250.db2.gz HUURYIZYPUCBIO-UHFFFAOYSA-N 2 1 349.906 3.395 20 0 EGADMP Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199007 168192251 /nfs/dbraw/zinc/19/22/51/168192251.db2.gz HUURYIZYPUCBIO-UHFFFAOYSA-N 2 1 349.906 3.395 20 0 EGADMP COC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1F ZINC000367490801 168233476 /nfs/dbraw/zinc/23/34/76/168233476.db2.gz PNOPKVBXKOTKBO-WWGRRREGSA-N 2 1 326.843 3.383 20 0 EGADMP COC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1F ZINC000367490800 168233568 /nfs/dbraw/zinc/23/35/68/168233568.db2.gz PNOPKVBXKOTKBO-IOASZLSFSA-N 2 1 326.843 3.383 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000367575778 168243618 /nfs/dbraw/zinc/24/36/18/168243618.db2.gz NRCZJJZHNGEUMT-SFHVURJKSA-N 2 1 348.491 3.059 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000367575778 168243619 /nfs/dbraw/zinc/24/36/19/168243619.db2.gz NRCZJJZHNGEUMT-SFHVURJKSA-N 2 1 348.491 3.059 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C[C@H]4CC=CCC4)CC3)C2)cc1 ZINC000367668660 168257631 /nfs/dbraw/zinc/25/76/31/168257631.db2.gz JDPGRISVHBHQND-UNMCSNQZSA-N 2 1 339.527 3.235 20 0 EGADMP CC(C)n1cc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000367967108 168290568 /nfs/dbraw/zinc/29/05/68/168290568.db2.gz SYQNJDFTKJJUMP-RTWAWAEBSA-N 2 1 338.499 3.418 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C/C=C/c1ccc(F)c(F)c1 ZINC000368025596 168299751 /nfs/dbraw/zinc/29/97/51/168299751.db2.gz XKHVWCQEINXQRA-ACKSANNHSA-N 2 1 336.426 3.162 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C/C=C/c1ccc(F)c(F)c1 ZINC000368025596 168299754 /nfs/dbraw/zinc/29/97/54/168299754.db2.gz XKHVWCQEINXQRA-ACKSANNHSA-N 2 1 336.426 3.162 20 0 EGADMP C[C@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)C[NH+]1CCCC1 ZINC000165289155 226119950 /nfs/dbraw/zinc/11/99/50/226119950.db2.gz ODBOKYDTFDHAFO-MSOLQXFVSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000179426244 265377098 /nfs/dbraw/zinc/37/70/98/265377098.db2.gz RMWMNPGKCWVGLV-RDJZCZTQSA-N 2 1 339.524 3.096 20 0 EGADMP c1cc(CCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc2c1OCC2 ZINC000193254461 266019826 /nfs/dbraw/zinc/01/98/26/266019826.db2.gz IFBJLIZHUHNIGO-LJQANCHMSA-N 2 1 328.500 3.362 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000236664504 266210056 /nfs/dbraw/zinc/21/00/56/266210056.db2.gz YAMUWRIFFNZSFP-PMACEKPBSA-N 2 1 345.531 3.441 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000273266383 267009088 /nfs/dbraw/zinc/00/90/88/267009088.db2.gz ULTKTTWEMSXYGR-SCTDSRPQSA-N 2 1 345.531 3.180 20 0 EGADMP C[C@@H](N[C@H]1c2ccccc2C[C@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274953351 267310251 /nfs/dbraw/zinc/31/02/51/267310251.db2.gz VNHMGPUCMXQCGO-SAIGTISXSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274953351 267310253 /nfs/dbraw/zinc/31/02/53/267310253.db2.gz VNHMGPUCMXQCGO-SAIGTISXSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1OC(F)F ZINC000278500432 268025609 /nfs/dbraw/zinc/02/56/09/268025609.db2.gz LOFYUZVOCPRWSC-LSDHHAIUSA-N 2 1 342.430 3.440 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1OC(F)F ZINC000278500432 268025611 /nfs/dbraw/zinc/02/56/11/268025611.db2.gz LOFYUZVOCPRWSC-LSDHHAIUSA-N 2 1 342.430 3.440 20 0 EGADMP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000359301538 274078084 /nfs/dbraw/zinc/07/80/84/274078084.db2.gz KDBWZIWLPLENKN-LRDDRELGSA-N 2 1 341.293 3.209 20 0 EGADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)[C@@H]1C[NH3+] ZINC000261844293 274290137 /nfs/dbraw/zinc/29/01/37/274290137.db2.gz CWSOEKTZYDVCEN-IAQYHMDHSA-N 2 1 344.286 3.381 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)[C@@H]1C[NH3+] ZINC000261844293 274290140 /nfs/dbraw/zinc/29/01/40/274290140.db2.gz CWSOEKTZYDVCEN-IAQYHMDHSA-N 2 1 344.286 3.381 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000237424871 274861554 /nfs/dbraw/zinc/86/15/54/274861554.db2.gz WRJGJJRCJPEJIG-AWEZNQCLSA-N 2 1 343.862 3.457 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000181358370 275206343 /nfs/dbraw/zinc/20/63/43/275206343.db2.gz RFZNMQLXMFNLDS-WWGRRREGSA-N 2 1 340.309 3.179 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192054770 275223245 /nfs/dbraw/zinc/22/32/45/275223245.db2.gz FSSYRCQZHHOKQJ-GOSISDBHSA-N 2 1 326.488 3.344 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192054770 275223246 /nfs/dbraw/zinc/22/32/46/275223246.db2.gz FSSYRCQZHHOKQJ-GOSISDBHSA-N 2 1 326.488 3.344 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192054770 275223248 /nfs/dbraw/zinc/22/32/48/275223248.db2.gz FSSYRCQZHHOKQJ-GOSISDBHSA-N 2 1 326.488 3.344 20 0 EGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000278695465 275266442 /nfs/dbraw/zinc/26/64/42/275266442.db2.gz PLUBIHLETQBTGH-ZACQAIPSSA-N 2 1 345.487 3.021 20 0 EGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278734745 275270090 /nfs/dbraw/zinc/27/00/90/275270090.db2.gz WLCKQUSAWBCTNF-MJGOQNOKSA-N 2 1 332.488 3.299 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](c3ccccc3)C(C)C)C2)CC1 ZINC000279510305 275336199 /nfs/dbraw/zinc/33/61/99/275336199.db2.gz AIOJEXDUTCSCKE-SFTDATJTSA-N 2 1 329.532 3.138 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000279545786 275338977 /nfs/dbraw/zinc/33/89/77/275338977.db2.gz AWOWRWCTEPHAQG-UHFFFAOYSA-N 2 1 327.407 3.086 20 0 EGADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000280045969 275396487 /nfs/dbraw/zinc/39/64/87/275396487.db2.gz VSXZTQRZFHLYAX-GJZGRUSLSA-N 2 1 332.488 3.412 20 0 EGADMP C[NH+]1CCC(Oc2ccc(CNc3[nH+]cnc4[nH]ccc43)cc2)CC1 ZINC000286481992 276006027 /nfs/dbraw/zinc/00/60/27/276006027.db2.gz PAJIBLMVBJLNDY-UHFFFAOYSA-N 2 1 337.427 3.043 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000286978323 276065760 /nfs/dbraw/zinc/06/57/60/276065760.db2.gz IWFXWFWQCFPSOQ-QRFRQXIXSA-N 2 1 333.520 3.149 20 0 EGADMP Cc1ccnc(C)c1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000287492740 276124704 /nfs/dbraw/zinc/12/47/04/276124704.db2.gz KYEVOQVGGUNOTL-DOTOQJQBSA-N 2 1 328.460 3.179 20 0 EGADMP O[C@H](Cc1cccc(Cl)c1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000287765639 276155258 /nfs/dbraw/zinc/15/52/58/276155258.db2.gz MODMBGDLVJHYAU-PWIZWCRZSA-N 2 1 348.918 3.192 20 0 EGADMP O[C@H](Cc1cccc(Cl)c1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000287765639 276155259 /nfs/dbraw/zinc/15/52/59/276155259.db2.gz MODMBGDLVJHYAU-PWIZWCRZSA-N 2 1 348.918 3.192 20 0 EGADMP O[C@H](Cc1cccc(Cl)c1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000287765639 276155260 /nfs/dbraw/zinc/15/52/60/276155260.db2.gz MODMBGDLVJHYAU-PWIZWCRZSA-N 2 1 348.918 3.192 20 0 EGADMP COC[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1F ZINC000287845837 276162813 /nfs/dbraw/zinc/16/28/13/276162813.db2.gz WMBXPCLXFNNEDO-MLGOLLRUSA-N 2 1 326.843 3.241 20 0 EGADMP O[C@H](Cc1cccc(Cl)c1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000287925522 276169634 /nfs/dbraw/zinc/16/96/34/276169634.db2.gz WLIGLKZDEWJLMM-RTBURBONSA-N 2 1 336.907 3.194 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000153147070 276198596 /nfs/dbraw/zinc/19/85/96/276198596.db2.gz VCKDCLBONMALAE-DNVCBOLYSA-N 2 1 333.907 3.039 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000289367410 276328563 /nfs/dbraw/zinc/32/85/63/276328563.db2.gz ZXCNIJQVQHKMGL-ROUUACIJSA-N 2 1 347.503 3.360 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000289367410 276328564 /nfs/dbraw/zinc/32/85/64/276328564.db2.gz ZXCNIJQVQHKMGL-ROUUACIJSA-N 2 1 347.503 3.360 20 0 EGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OCc2ccncc2)cc1 ZINC000289561767 276358192 /nfs/dbraw/zinc/35/81/92/276358192.db2.gz YQFXHZZICSTXJP-UHFFFAOYSA-N 2 1 327.472 3.434 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OCc2ccncc2)cc1 ZINC000289561767 276358193 /nfs/dbraw/zinc/35/81/93/276358193.db2.gz YQFXHZZICSTXJP-UHFFFAOYSA-N 2 1 327.472 3.434 20 0 EGADMP COCCOCc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000289632673 276369314 /nfs/dbraw/zinc/36/93/14/276369314.db2.gz GJYVBPPGVZCDTE-UHFFFAOYSA-N 2 1 346.515 3.346 20 0 EGADMP CC(C)n1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)nn1 ZINC000289758084 276389370 /nfs/dbraw/zinc/38/93/70/276389370.db2.gz OJEJFTVWDNQORK-KRWDZBQOSA-N 2 1 341.503 3.381 20 0 EGADMP CC(C)n1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)nn1 ZINC000289758084 276389371 /nfs/dbraw/zinc/38/93/71/276389371.db2.gz OJEJFTVWDNQORK-KRWDZBQOSA-N 2 1 341.503 3.381 20 0 EGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Br)nc1 ZINC000290743719 276535893 /nfs/dbraw/zinc/53/58/93/276535893.db2.gz QGMJSHCRIVZPTA-FPMFFAJLSA-N 2 1 326.282 3.368 20 0 EGADMP COc1ccc(F)cc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000291207871 276607016 /nfs/dbraw/zinc/60/70/16/276607016.db2.gz NVIWWYQWFBAZEC-UHFFFAOYSA-N 2 1 332.419 3.065 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)C[N@@H+](Cc2ccccc2)C1 ZINC000344487361 278029577 /nfs/dbraw/zinc/02/95/77/278029577.db2.gz VIDYNMKKANAHQA-BVOGOJNSSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[NH+](Cc2ccccc2)C1 ZINC000344487361 278029580 /nfs/dbraw/zinc/02/95/80/278029580.db2.gz VIDYNMKKANAHQA-BVOGOJNSSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C[NH+](Cc2ccccc2)C1 ZINC000344487361 278029582 /nfs/dbraw/zinc/02/95/82/278029582.db2.gz VIDYNMKKANAHQA-BVOGOJNSSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CN(Cc2ccccc2)C1 ZINC000344487361 278029586 /nfs/dbraw/zinc/02/95/86/278029586.db2.gz VIDYNMKKANAHQA-BVOGOJNSSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CN(Cc2ccccc2)C1 ZINC000344487361 278029590 /nfs/dbraw/zinc/02/95/90/278029590.db2.gz VIDYNMKKANAHQA-BVOGOJNSSA-N 2 1 327.516 3.113 20 0 EGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000357657510 279138692 /nfs/dbraw/zinc/13/86/92/279138692.db2.gz ZMPDWYGBDHFAGW-QGZVFWFLSA-N 2 1 348.535 3.056 20 0 EGADMP C[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(C(F)(F)F)cc1 ZINC000367319499 279347315 /nfs/dbraw/zinc/34/73/15/279347315.db2.gz VVUGOMOJXOASEG-XOKHGSTOSA-N 2 1 342.405 3.262 20 0 EGADMP C[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(C(F)(F)F)cc1 ZINC000367319499 279347316 /nfs/dbraw/zinc/34/73/16/279347316.db2.gz VVUGOMOJXOASEG-XOKHGSTOSA-N 2 1 342.405 3.262 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CCCOc2cc(Br)ccc21)C[NH+](C)C ZINC000312512809 279349173 /nfs/dbraw/zinc/34/91/73/279349173.db2.gz NINJCSGAGQSPLL-IUODEOHRSA-N 2 1 341.293 3.450 20 0 EGADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000154483231 280186599 /nfs/dbraw/zinc/18/65/99/280186599.db2.gz ILTHWNNRTQPQIV-HXUWFJFHSA-N 2 1 333.520 3.154 20 0 EGADMP CC[NH+](CC)CC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000051589522 307331394 /nfs/dbraw/zinc/33/13/94/307331394.db2.gz ILWKYKYUYUXFOL-KRWDZBQOSA-N 2 1 331.504 3.019 20 0 EGADMP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000058576046 307349602 /nfs/dbraw/zinc/34/96/02/307349602.db2.gz MXKDEYSRZKWBPM-SFHVURJKSA-N 2 1 349.906 3.077 20 0 EGADMP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000058576046 307349603 /nfs/dbraw/zinc/34/96/03/307349603.db2.gz MXKDEYSRZKWBPM-SFHVURJKSA-N 2 1 349.906 3.077 20 0 EGADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000073554428 307386685 /nfs/dbraw/zinc/38/66/85/307386685.db2.gz VBTXIDFPIZBEOH-KRWDZBQOSA-N 2 1 348.535 3.413 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000073554428 307386686 /nfs/dbraw/zinc/38/66/86/307386686.db2.gz VBTXIDFPIZBEOH-KRWDZBQOSA-N 2 1 348.535 3.413 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000414063637 309058518 /nfs/dbraw/zinc/05/85/18/309058518.db2.gz DZIKODGEOSSFQE-FGTMMUONSA-N 2 1 333.520 3.369 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1cccnc1 ZINC000414253278 309068908 /nfs/dbraw/zinc/06/89/08/309068908.db2.gz BJMWUXYOPRPCJO-DUXKGJEZSA-N 2 1 339.483 3.269 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1cccnc1 ZINC000414253278 309068909 /nfs/dbraw/zinc/06/89/09/309068909.db2.gz BJMWUXYOPRPCJO-DUXKGJEZSA-N 2 1 339.483 3.269 20 0 EGADMP CCc1ncc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414365154 309075585 /nfs/dbraw/zinc/07/55/85/309075585.db2.gz KAUPZQACDCWXDR-IEBWSBKVSA-N 2 1 338.499 3.429 20 0 EGADMP Cc1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nn1C ZINC000414369689 309076005 /nfs/dbraw/zinc/07/60/05/309076005.db2.gz VEXRMJAUWIAQRZ-PKOBYXMFSA-N 2 1 326.488 3.119 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)OC(C)C ZINC000248651083 308008599 /nfs/dbraw/zinc/00/85/99/308008599.db2.gz XGECIARYQNGERZ-YTXYEVPYSA-N 2 1 334.504 3.480 20 0 EGADMP CC[C@]1(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC[NH2+]1 ZINC000248713283 308009872 /nfs/dbraw/zinc/00/98/72/308009872.db2.gz JWRFCNCMWHCHHM-FBBABVLZSA-N 2 1 343.515 3.030 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000248817413 308012060 /nfs/dbraw/zinc/01/20/60/308012060.db2.gz AVDVWEZQTJFJOV-HSALFYBXSA-N 2 1 328.500 3.446 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000248817417 308012144 /nfs/dbraw/zinc/01/21/44/308012144.db2.gz AVDVWEZQTJFJOV-VAMGGRTRSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@H](CCC1CC1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248972623 308016162 /nfs/dbraw/zinc/01/61/62/308016162.db2.gz GZEMLRNYGKSKOE-OXQOHEQNSA-N 2 1 343.515 3.052 20 0 EGADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000248984912 308016375 /nfs/dbraw/zinc/01/63/75/308016375.db2.gz JREYLVSPLPEKGR-VDZJLULYSA-N 2 1 334.479 3.429 20 0 EGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1F ZINC000248984912 308016376 /nfs/dbraw/zinc/01/63/76/308016376.db2.gz JREYLVSPLPEKGR-VDZJLULYSA-N 2 1 334.479 3.429 20 0 EGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1F ZINC000248984912 308016377 /nfs/dbraw/zinc/01/63/77/308016377.db2.gz JREYLVSPLPEKGR-VDZJLULYSA-N 2 1 334.479 3.429 20 0 EGADMP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000249762004 308028010 /nfs/dbraw/zinc/02/80/10/308028010.db2.gz NVNXJICGDQONFK-RCCFBDPRSA-N 2 1 345.531 3.454 20 0 EGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3ccccc3Cl)C2)C1 ZINC000292894865 308077509 /nfs/dbraw/zinc/07/75/09/308077509.db2.gz GDMKMSCBJUUCOB-SFHVURJKSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(=O)Nc3ccccc3Cl)C2)C1 ZINC000292894865 308077510 /nfs/dbraw/zinc/07/75/10/308077510.db2.gz GDMKMSCBJUUCOB-SFHVURJKSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)Nc3ccccc3Cl)C2)C1 ZINC000292894865 308077512 /nfs/dbraw/zinc/07/75/12/308077512.db2.gz GDMKMSCBJUUCOB-SFHVURJKSA-N 2 1 335.879 3.086 20 0 EGADMP Cc1nccnc1CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000293237781 308112519 /nfs/dbraw/zinc/11/25/19/308112519.db2.gz ZOFFLSWCJHYUTK-UHFFFAOYSA-N 2 1 326.488 3.075 20 0 EGADMP CC(C)c1nc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)n[nH]1 ZINC000293367494 308124237 /nfs/dbraw/zinc/12/42/37/308124237.db2.gz YVRIAIAAKXNKSL-UHFFFAOYSA-N 2 1 342.491 3.062 20 0 EGADMP CC(C)c1nnc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000293367494 308124238 /nfs/dbraw/zinc/12/42/38/308124238.db2.gz YVRIAIAAKXNKSL-UHFFFAOYSA-N 2 1 342.491 3.062 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293404571 308127729 /nfs/dbraw/zinc/12/77/29/308127729.db2.gz RLTURURZCMRWMK-NRFANRHFSA-N 3 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293404571 308127731 /nfs/dbraw/zinc/12/77/31/308127731.db2.gz RLTURURZCMRWMK-NRFANRHFSA-N 3 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293404571 308127733 /nfs/dbraw/zinc/12/77/33/308127733.db2.gz RLTURURZCMRWMK-NRFANRHFSA-N 3 1 341.543 3.459 20 0 EGADMP CN1CCC[C@H]1CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293404571 308127734 /nfs/dbraw/zinc/12/77/34/308127734.db2.gz RLTURURZCMRWMK-NRFANRHFSA-N 2 1 341.543 3.459 20 0 EGADMP CN1CCC[C@H]1CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293404571 308127736 /nfs/dbraw/zinc/12/77/36/308127736.db2.gz RLTURURZCMRWMK-NRFANRHFSA-N 2 1 341.543 3.459 20 0 EGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H](CC(N)=O)c3ccccc3)CC2)C1 ZINC000293515055 308137962 /nfs/dbraw/zinc/13/79/62/308137962.db2.gz ANUVEMXVTYEUKE-NSISKUIASA-N 2 1 343.515 3.236 20 0 EGADMP CO[C@](C)([C@H](C)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C1CC1 ZINC000414500241 309084817 /nfs/dbraw/zinc/08/48/17/309084817.db2.gz KZXSCDYTJMYXCM-SCLBCKFNSA-N 2 1 337.533 3.203 20 0 EGADMP CO[C@](C)([C@H](C)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C1CC1 ZINC000414500241 309084818 /nfs/dbraw/zinc/08/48/18/309084818.db2.gz KZXSCDYTJMYXCM-SCLBCKFNSA-N 2 1 337.533 3.203 20 0 EGADMP C[C@@H]1C[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)[C@@H](C)O1 ZINC000294677238 308244878 /nfs/dbraw/zinc/24/48/78/308244878.db2.gz DXRRLJKBLBODEH-QINHECLXSA-N 2 1 331.504 3.442 20 0 EGADMP CSc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000295053620 308285856 /nfs/dbraw/zinc/28/58/56/308285856.db2.gz QMXICCLGONCIOW-AOIWGVFYSA-N 2 1 333.545 3.228 20 0 EGADMP C[C@H]1C[C@@H](C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)CC[NH2+]1 ZINC000414704670 309096355 /nfs/dbraw/zinc/09/63/55/309096355.db2.gz MQUSUXNCPOXOMJ-IRXDYDNUSA-N 2 1 326.488 3.329 20 0 EGADMP C[C@@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000414709337 309096642 /nfs/dbraw/zinc/09/66/42/309096642.db2.gz JTWQCGRLHBFPSQ-MRXNPFEDSA-N 2 1 344.503 3.277 20 0 EGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000414664513 309094372 /nfs/dbraw/zinc/09/43/72/309094372.db2.gz TZGHQOUXIUHMEW-HNNXBMFYSA-N 2 1 348.443 3.033 20 0 EGADMP C[C@@H]1C[C@H](C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000414695579 309095777 /nfs/dbraw/zinc/09/57/77/309095777.db2.gz PCZSSELIUOBRPX-WIYYLYMNSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC000414738088 309098140 /nfs/dbraw/zinc/09/81/40/309098140.db2.gz OGISERHNRRNHCU-CWJKEVGVSA-N 3 1 329.532 3.047 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)o2)CC12CCOCC2 ZINC000414771934 309099887 /nfs/dbraw/zinc/09/98/87/309099887.db2.gz ASKITBCCIRKOTK-QGZVFWFLSA-N 2 1 326.440 3.134 20 0 EGADMP Fc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414783242 309100844 /nfs/dbraw/zinc/10/08/44/309100844.db2.gz PRSZYGLLJDJRTI-SJORKVTESA-N 2 1 331.479 3.247 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc(-c3cccs3)s2)CC12CCOCC2 ZINC000414782821 309100916 /nfs/dbraw/zinc/10/09/16/309100916.db2.gz PBJCLKLOLAEPSO-CYBMUJFWSA-N 2 1 349.525 3.059 20 0 EGADMP COc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OCc1ccc(F)cc1 ZINC000414788458 309101326 /nfs/dbraw/zinc/10/13/26/309101326.db2.gz MRTQCSXDRZQJDX-UHFFFAOYSA-N 2 1 344.430 3.255 20 0 EGADMP CCc1oc2ccccc2c1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414796923 309102106 /nfs/dbraw/zinc/10/21/06/309102106.db2.gz YCUORCAJORCBFF-HNNXBMFYSA-N 2 1 328.456 3.183 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414812684 309103167 /nfs/dbraw/zinc/10/31/67/309103167.db2.gz LIKYYJRCTJHJLE-GOEBONIOSA-N 2 1 339.911 3.184 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414812686 309103254 /nfs/dbraw/zinc/10/32/54/309103254.db2.gz LIKYYJRCTJHJLE-HOCLYGCPSA-N 2 1 339.911 3.184 20 0 EGADMP FC(F)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414823779 309104025 /nfs/dbraw/zinc/10/40/25/309104025.db2.gz DTTPYGHNDOVXGV-SNVBAGLBSA-N 2 1 349.219 3.140 20 0 EGADMP C[NH2+]C[C@H](C)C[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000414849685 309105441 /nfs/dbraw/zinc/10/54/41/309105441.db2.gz YAYQBHYMNDHMPJ-ZDUSSCGKSA-N 2 1 334.895 3.147 20 0 EGADMP C[NH2+]Cc1cccc(NCc2nc3c(s2)C[N@H+](C(C)C)CC3)c1 ZINC000414859697 309105959 /nfs/dbraw/zinc/10/59/59/309105959.db2.gz BNPREMJZDLBPGU-UHFFFAOYSA-N 2 1 330.501 3.241 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414956327 309111244 /nfs/dbraw/zinc/11/12/44/309111244.db2.gz VFXYJDGJAHHGLY-SCLBCKFNSA-N 2 1 346.906 3.432 20 0 EGADMP CCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414958225 309111490 /nfs/dbraw/zinc/11/14/90/309111490.db2.gz WKAQJISEWFBBER-IUODEOHRSA-N 2 1 341.293 3.468 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[NH2+]1 ZINC000414961398 309111673 /nfs/dbraw/zinc/11/16/73/309111673.db2.gz ZAPYRMJAZMLWBK-APWZRJJASA-N 2 1 340.515 3.459 20 0 EGADMP CCOc1cc(C[NH2+]C[C@H]([NH3+])CC)ccc1OCc1ccccc1 ZINC000414978430 309112531 /nfs/dbraw/zinc/11/25/31/309112531.db2.gz LRPVNSXFOXEVFP-GOSISDBHSA-N 2 1 328.456 3.491 20 0 EGADMP [NH3+][C@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000415010037 309114168 /nfs/dbraw/zinc/11/41/68/309114168.db2.gz URXZVRVCTCBCKK-OBKBHFTKSA-N 3 1 327.516 3.289 20 0 EGADMP [NH3+][C@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000415010037 309114169 /nfs/dbraw/zinc/11/41/69/309114169.db2.gz URXZVRVCTCBCKK-OBKBHFTKSA-N 2 1 327.516 3.289 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000415026251 309115125 /nfs/dbraw/zinc/11/51/25/309115125.db2.gz SIDFDCHUMFFMKL-VNYTWHDVSA-N 3 1 329.532 3.394 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000415026251 309115126 /nfs/dbraw/zinc/11/51/26/309115126.db2.gz SIDFDCHUMFFMKL-VNYTWHDVSA-N 3 1 329.532 3.394 20 0 EGADMP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000415027187 309115201 /nfs/dbraw/zinc/11/52/01/309115201.db2.gz VTZKOOOFWWPOGL-FTSHXLFYSA-N 3 1 341.543 3.252 20 0 EGADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1Br ZINC000415038681 309116002 /nfs/dbraw/zinc/11/60/02/309116002.db2.gz IFAYRMJRALPRBX-AWEZNQCLSA-N 2 1 327.266 3.065 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)CC[NH2+]1 ZINC000415094548 309119837 /nfs/dbraw/zinc/11/98/37/309119837.db2.gz KIAADGJTJNSRFO-WWGRRREGSA-N 2 1 338.293 3.369 20 0 EGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000415094457 309119928 /nfs/dbraw/zinc/11/99/28/309119928.db2.gz XNODNDSMRUWMPZ-QFBILLFUSA-N 2 1 349.494 3.063 20 0 EGADMP CCOc1ccc(Oc2cc(C[NH2+]C3CC[NH2+]CC3)ccn2)cc1 ZINC000415095990 309120070 /nfs/dbraw/zinc/12/00/70/309120070.db2.gz AGHUKNXGWROULU-UHFFFAOYSA-N 2 1 327.428 3.114 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415129362 309122521 /nfs/dbraw/zinc/12/25/21/309122521.db2.gz PHCOOGAMLOFAGP-CZUORRHYSA-N 2 1 330.451 3.045 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415129361 309122604 /nfs/dbraw/zinc/12/26/04/309122604.db2.gz PHCOOGAMLOFAGP-CJNGLKHVSA-N 2 1 330.451 3.045 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n(C)n1 ZINC000417781014 309221953 /nfs/dbraw/zinc/22/19/53/309221953.db2.gz JHAYIFBLXFXMGA-UHFFFAOYSA-N 2 1 338.499 3.217 20 0 EGADMP Cc1[nH+]ccn1-c1cncc(NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)n1 ZINC000420180491 309276695 /nfs/dbraw/zinc/27/66/95/309276695.db2.gz BNNSRTQGSQGAQQ-QGZVFWFLSA-N 2 1 336.443 3.206 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420290400 309279687 /nfs/dbraw/zinc/27/96/87/309279687.db2.gz LYVFMPXWQTWGRR-SJCJKPOMSA-N 2 1 330.863 3.275 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420290400 309279688 /nfs/dbraw/zinc/27/96/88/309279688.db2.gz LYVFMPXWQTWGRR-SJCJKPOMSA-N 2 1 330.863 3.275 20 0 EGADMP CC[N@@H+](CCOc1ccc(Br)cc1)CC[C@@H]1CC[NH2+]C1 ZINC000420300269 309280209 /nfs/dbraw/zinc/28/02/09/309280209.db2.gz JUUSAALNHUKEBE-AWEZNQCLSA-N 2 1 341.293 3.149 20 0 EGADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420303035 309280440 /nfs/dbraw/zinc/28/04/40/309280440.db2.gz MYMXVYTWXXGSGP-TZEULACYSA-N 2 1 338.495 3.104 20 0 EGADMP OCCC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(Cl)c(Cl)c1 ZINC000420302269 309280550 /nfs/dbraw/zinc/28/05/50/309280550.db2.gz JKQUXHSTXCAZMT-ZDUSSCGKSA-N 2 1 331.287 3.177 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000420310040 309280941 /nfs/dbraw/zinc/28/09/41/309280941.db2.gz USMKDIQDPQYRIB-MJGOQNOKSA-N 2 1 342.458 3.441 20 0 EGADMP Clc1ccc(-n2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)n2)cc1 ZINC000420316149 309281545 /nfs/dbraw/zinc/28/15/45/309281545.db2.gz XXPOFXDRXRQAAW-UHFFFAOYSA-N 2 1 330.863 3.101 20 0 EGADMP COc1ccccc1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CCCO1 ZINC000420320027 309281818 /nfs/dbraw/zinc/28/18/18/309281818.db2.gz QBSQDMCCGXQUSR-MJGOQNOKSA-N 2 1 332.488 3.066 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336078 309283081 /nfs/dbraw/zinc/28/30/81/309283081.db2.gz IKGKSNXHUWDVJO-XHSDSOJGSA-N 2 1 349.906 3.297 20 0 EGADMP Cc1cc(OCC[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1C(C)C ZINC000420337269 309283126 /nfs/dbraw/zinc/28/31/26/309283126.db2.gz WQERSIIECNAJRT-SFHVURJKSA-N 2 1 346.515 3.185 20 0 EGADMP C[N@@H+](CCCC(c1ccc(F)cc1)c1ccc(F)cc1)C[C@@H](O)C[NH3+] ZINC000420350490 309283735 /nfs/dbraw/zinc/28/37/35/309283735.db2.gz HAHANQMYXUAYHK-IBGZPJMESA-N 2 1 348.437 3.128 20 0 EGADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420376452 309284975 /nfs/dbraw/zinc/28/49/75/309284975.db2.gz JWAQIIGRCVHLQQ-MGPUTAFESA-N 2 1 335.455 3.288 20 0 EGADMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000420386900 309285829 /nfs/dbraw/zinc/28/58/29/309285829.db2.gz JQADDQYWFKUHMW-UHFFFAOYSA-N 2 1 325.456 3.224 20 0 EGADMP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420393835 309286188 /nfs/dbraw/zinc/28/61/88/309286188.db2.gz KBNWBJPLRNDUKH-WOJBJXKFSA-N 2 1 343.515 3.036 20 0 EGADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420393835 309286189 /nfs/dbraw/zinc/28/61/89/309286189.db2.gz KBNWBJPLRNDUKH-WOJBJXKFSA-N 2 1 343.515 3.036 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000420419811 309287116 /nfs/dbraw/zinc/28/71/16/309287116.db2.gz XUDMHJALZVKVEJ-LPHOPBHVSA-N 2 1 337.467 3.356 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000420419811 309287117 /nfs/dbraw/zinc/28/71/17/309287117.db2.gz XUDMHJALZVKVEJ-LPHOPBHVSA-N 2 1 337.467 3.356 20 0 EGADMP C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420966713 309304822 /nfs/dbraw/zinc/30/48/22/309304822.db2.gz RJCPFHJBWVLZEO-GHTZIAJQSA-N 2 1 346.515 3.034 20 0 EGADMP C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420966713 309304823 /nfs/dbraw/zinc/30/48/23/309304823.db2.gz RJCPFHJBWVLZEO-GHTZIAJQSA-N 2 1 346.515 3.034 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000420986762 309305933 /nfs/dbraw/zinc/30/59/33/309305933.db2.gz YUZRNYNIVWGMBU-QGZVFWFLSA-N 2 1 343.506 3.304 20 0 EGADMP C[C@@H]([NH2+]CCCc1ccc(Br)cc1F)[C@H]1CCC[NH2+]1 ZINC000422750847 309366522 /nfs/dbraw/zinc/36/65/22/309366522.db2.gz ALUNBEMJASORGJ-IAQYHMDHSA-N 2 1 329.257 3.251 20 0 EGADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000421835028 309342425 /nfs/dbraw/zinc/34/24/25/309342425.db2.gz PILLMGCJEITKBP-GDBMZVCRSA-N 2 1 340.895 3.236 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@H]1C[NH3+] ZINC000422563645 309361763 /nfs/dbraw/zinc/36/17/63/309361763.db2.gz UAQXMHQLQLPTAP-MBOZVWFJSA-N 2 1 339.483 3.466 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422734789 309365963 /nfs/dbraw/zinc/36/59/63/309365963.db2.gz CTQXHERYJJREQQ-BWAGFHJFSA-N 2 1 337.511 3.199 20 0 EGADMP c1cn(-c2cccc(C[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)c2)cn1 ZINC000422739868 309365973 /nfs/dbraw/zinc/36/59/73/309365973.db2.gz ANZSIJGOJAEKNB-PZJWPPBQSA-N 2 1 332.451 3.455 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422737674 309366143 /nfs/dbraw/zinc/36/61/43/309366143.db2.gz XQXQCNOFWKKYBH-QFUCXCTJSA-N 2 1 343.515 3.096 20 0 EGADMP CC[C@@H]1CCCCN1CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422737674 309366144 /nfs/dbraw/zinc/36/61/44/309366144.db2.gz XQXQCNOFWKKYBH-QFUCXCTJSA-N 2 1 343.515 3.096 20 0 EGADMP OC[C@H](C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)Cc1ccc(F)cc1 ZINC000422752681 309366586 /nfs/dbraw/zinc/36/65/86/309366586.db2.gz FCXPINQDDXUHAQ-DZFGPLHGSA-N 2 1 342.458 3.060 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422757118 309366761 /nfs/dbraw/zinc/36/67/61/309366761.db2.gz JMMLDVWSMBBLAD-XHSDSOJGSA-N 2 1 332.536 3.256 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC000422757118 309366762 /nfs/dbraw/zinc/36/67/62/309366762.db2.gz JMMLDVWSMBBLAD-XHSDSOJGSA-N 2 1 332.536 3.256 20 0 EGADMP CN(C)C1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000422766703 309367302 /nfs/dbraw/zinc/36/73/02/309367302.db2.gz XPDAABNKLOXNDR-NQIIRXRSSA-N 2 1 343.515 3.096 20 0 EGADMP Fc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000422781702 309368027 /nfs/dbraw/zinc/36/80/27/309368027.db2.gz MINORLJHPDMDCW-IEBWSBKVSA-N 2 1 330.378 3.310 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422797103 309368833 /nfs/dbraw/zinc/36/88/33/309368833.db2.gz ZTMMXTWZHQOXNK-WOJBJXKFSA-N 2 1 326.488 3.298 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccc(N4CCCC4)nc3)CC[NH2+]2)cc1 ZINC000422825110 309370370 /nfs/dbraw/zinc/37/03/70/309370370.db2.gz IYGGAKJVVGWXCS-PMACEKPBSA-N 2 1 336.483 3.265 20 0 EGADMP COc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1NC(C)=O ZINC000422847839 309371809 /nfs/dbraw/zinc/37/18/09/309371809.db2.gz SEUNSULGYJZIPQ-PBHICJAKSA-N 2 1 333.476 3.054 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000422866716 309372699 /nfs/dbraw/zinc/37/26/99/309372699.db2.gz QVQDEGFMZSTUDM-ZEDDUWKQSA-N 3 1 327.516 3.291 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000422866716 309372700 /nfs/dbraw/zinc/37/27/00/309372700.db2.gz QVQDEGFMZSTUDM-ZEDDUWKQSA-N 2 1 327.516 3.291 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000422866716 309372701 /nfs/dbraw/zinc/37/27/01/309372701.db2.gz QVQDEGFMZSTUDM-ZEDDUWKQSA-N 2 1 327.516 3.291 20 0 EGADMP C[NH+](C)CCOc1cccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422900666 309374961 /nfs/dbraw/zinc/37/49/61/309374961.db2.gz QVINUHKBBMZCDX-QHAWAJNXSA-N 2 1 345.531 3.027 20 0 EGADMP COc1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)O[C@H](C)C2 ZINC000422963930 309378555 /nfs/dbraw/zinc/37/85/55/309378555.db2.gz HITAEVDTARYVCK-NKGKWGDASA-N 2 1 330.472 3.029 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422987940 309379628 /nfs/dbraw/zinc/37/96/28/309379628.db2.gz JMBMDFPUWBJRET-GHTZIAJQSA-N 3 1 343.515 3.095 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423008481 309380512 /nfs/dbraw/zinc/38/05/12/309380512.db2.gz SUUTXZWAVRIPSV-UZLBHIALSA-N 3 1 327.472 3.129 20 0 EGADMP CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423008481 309380513 /nfs/dbraw/zinc/38/05/13/309380513.db2.gz SUUTXZWAVRIPSV-UZLBHIALSA-N 2 1 327.472 3.129 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NC4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@H]3C2)cc1 ZINC000423030170 309381965 /nfs/dbraw/zinc/38/19/65/309381965.db2.gz JJUDPPODIWMWKM-WPDASGPRSA-N 2 1 339.527 3.160 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@H]3C2)cc1 ZINC000423030170 309381966 /nfs/dbraw/zinc/38/19/66/309381966.db2.gz JJUDPPODIWMWKM-WPDASGPRSA-N 3 1 339.527 3.160 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@H]3C2)cc1 ZINC000423030170 309381967 /nfs/dbraw/zinc/38/19/67/309381967.db2.gz JJUDPPODIWMWKM-WPDASGPRSA-N 3 1 339.527 3.160 20 0 EGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423064018 309383888 /nfs/dbraw/zinc/38/38/88/309383888.db2.gz XWLDKMIKOPINKY-ZACQAIPSSA-N 2 1 342.405 3.261 20 0 EGADMP Clc1ccc2c(ccn2CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000423108675 309386307 /nfs/dbraw/zinc/38/63/07/309386307.db2.gz RMYXVXZLAASNEY-KZNAEPCWSA-N 2 1 347.890 3.041 20 0 EGADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000423107747 309386385 /nfs/dbraw/zinc/38/63/85/309386385.db2.gz QFRQSNSFLUPBEM-LPHOPBHVSA-N 2 1 325.456 3.138 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@H]2CC[NH2+]CC[C@H]2C)[NH+](C)C)cc1 ZINC000423131955 309387683 /nfs/dbraw/zinc/38/76/83/309387683.db2.gz UDYHXHLBVKFREE-UXPWSPDFSA-N 2 1 333.520 3.054 20 0 EGADMP Cc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CC2)c(C)c1 ZINC000423146958 309388314 /nfs/dbraw/zinc/38/83/14/309388314.db2.gz QTDADNUCLMNEOT-SXLOBPIMSA-N 2 1 328.500 3.082 20 0 EGADMP CC(C)OCCOC1CC[NH+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000423155510 309388758 /nfs/dbraw/zinc/38/87/58/309388758.db2.gz LGQHKQNLGNJGQA-TZIWHRDSSA-N 2 1 346.515 3.386 20 0 EGADMP COCCC[C@@H]([NH2+][C@@H]1CCCNC1)c1ccc(Br)cc1 ZINC000423183864 309389535 /nfs/dbraw/zinc/38/95/35/309389535.db2.gz ICBFONMVMOXSHT-HZPDHXFCSA-N 2 1 341.293 3.258 20 0 EGADMP COc1cc(OC)c([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000423212655 309390686 /nfs/dbraw/zinc/39/06/86/309390686.db2.gz IXBCWEMCZMZXJJ-AGIUHOORSA-N 2 1 326.868 3.396 20 0 EGADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000423255489 309392570 /nfs/dbraw/zinc/39/25/70/309392570.db2.gz AFUDWMHSOATSHI-ICSRJNTNSA-N 2 1 329.532 3.061 20 0 EGADMP CC(C)[C@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H](C)[NH3+] ZINC000423335135 309395665 /nfs/dbraw/zinc/39/56/65/309395665.db2.gz PNWFSAGYLGUJMP-HLIPFELVSA-N 2 1 345.531 3.154 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]1 ZINC000423371303 309397526 /nfs/dbraw/zinc/39/75/26/309397526.db2.gz FITLARXIYRVLSZ-KMKNWIINSA-N 2 1 341.543 3.407 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]1 ZINC000423371303 309397527 /nfs/dbraw/zinc/39/75/27/309397527.db2.gz FITLARXIYRVLSZ-KMKNWIINSA-N 3 1 341.543 3.407 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]1 ZINC000423371303 309397528 /nfs/dbraw/zinc/39/75/28/309397528.db2.gz FITLARXIYRVLSZ-KMKNWIINSA-N 3 1 341.543 3.407 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])CC2CCCCC2)c1 ZINC000423378779 309397837 /nfs/dbraw/zinc/39/78/37/309397837.db2.gz ZWKOVNQNNFAEGO-FQEVSTJZSA-N 2 1 345.531 3.441 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]1 ZINC000423387607 309398178 /nfs/dbraw/zinc/39/81/78/309398178.db2.gz SOXZBLJLSBZNRM-KPACCLEDSA-N 2 1 327.516 3.017 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]1 ZINC000423387607 309398179 /nfs/dbraw/zinc/39/81/79/309398179.db2.gz SOXZBLJLSBZNRM-KPACCLEDSA-N 3 1 327.516 3.017 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]1 ZINC000423387607 309398180 /nfs/dbraw/zinc/39/81/80/309398180.db2.gz SOXZBLJLSBZNRM-KPACCLEDSA-N 3 1 327.516 3.017 20 0 EGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(OCc2ccccc2)cc1 ZINC000423526344 309404894 /nfs/dbraw/zinc/40/48/94/309404894.db2.gz VCNQUNUJLSOCBQ-LAUBAEHRSA-N 2 1 340.467 3.295 20 0 EGADMP CC(C)(CCC[NH3+])NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000423674158 309409417 /nfs/dbraw/zinc/40/94/17/309409417.db2.gz HJWNLUTZJPHROA-MRXNPFEDSA-N 2 1 346.519 3.127 20 0 EGADMP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000430587943 309611990 /nfs/dbraw/zinc/61/19/90/309611990.db2.gz XOHKKSMSCUBMHX-GFCCVEGCSA-N 2 1 341.858 3.128 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccc(F)cc2)n1 ZINC000449028669 310030770 /nfs/dbraw/zinc/03/07/70/310030770.db2.gz MISJPTCVWFKCQY-INIZCTEOSA-N 2 1 342.462 3.144 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccc(F)cc2)n1 ZINC000449028669 310030771 /nfs/dbraw/zinc/03/07/71/310030771.db2.gz MISJPTCVWFKCQY-INIZCTEOSA-N 2 1 342.462 3.144 20 0 EGADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cnn1C ZINC000449072040 310034780 /nfs/dbraw/zinc/03/47/80/310034780.db2.gz DKZQRJVNPBSVLS-SJORKVTESA-N 2 1 340.515 3.475 20 0 EGADMP CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC000449082738 310035691 /nfs/dbraw/zinc/03/56/91/310035691.db2.gz PMBIQLQWYUPMNK-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CSCC1CCC([NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000449133328 310039416 /nfs/dbraw/zinc/03/94/16/310039416.db2.gz YABIKBLTDGLZLH-UHFFFAOYSA-N 2 1 326.550 3.143 20 0 EGADMP C[C@H](Cc1coc2ccccc12)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000449148244 310040313 /nfs/dbraw/zinc/04/03/13/310040313.db2.gz JHMPKWFAQJACPA-SJLPKXTDSA-N 2 1 330.472 3.190 20 0 EGADMP COc1cc(C)ccc1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000449331065 310054100 /nfs/dbraw/zinc/05/41/00/310054100.db2.gz WZTSHAYXGHUNBV-UHFFFAOYSA-N 2 1 343.471 3.019 20 0 EGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000449387112 310057929 /nfs/dbraw/zinc/05/79/29/310057929.db2.gz WANIAUDXSVBCME-KRWDZBQOSA-N 2 1 336.549 3.212 20 0 EGADMP OC[C@H]([C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1)C1CC1 ZINC000449510266 310067962 /nfs/dbraw/zinc/06/79/62/310067962.db2.gz PYENACQFNCGREB-SFTDATJTSA-N 2 1 328.500 3.038 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c2nccn21 ZINC000449568867 310072498 /nfs/dbraw/zinc/07/24/98/310072498.db2.gz DPOBULLSYZUXHT-QFBILLFUSA-N 2 1 340.471 3.153 20 0 EGADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000449905506 310093325 /nfs/dbraw/zinc/09/33/25/310093325.db2.gz FYVQZOSKSDSNPR-QUCCMNQESA-N 2 1 347.547 3.260 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)[C@H](C)c1ccccc1 ZINC000450858069 310146195 /nfs/dbraw/zinc/14/61/95/310146195.db2.gz SFWNVHHIZMMPHK-MJGOQNOKSA-N 2 1 329.488 3.322 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)[C@H](C)c1ccccc1 ZINC000450858069 310146196 /nfs/dbraw/zinc/14/61/96/310146196.db2.gz SFWNVHHIZMMPHK-MJGOQNOKSA-N 2 1 329.488 3.322 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CC4=CCCCC4)CC3)C2)cc1 ZINC000450980040 310153334 /nfs/dbraw/zinc/15/33/34/310153334.db2.gz CPJCSCWWNNJJTF-QFIPXVFZSA-N 2 1 339.527 3.379 20 0 EGADMP c1nc(CC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000451044970 310157442 /nfs/dbraw/zinc/15/74/42/310157442.db2.gz CHUDNQDZZRLMAA-ZWKOTPCHSA-N 2 1 327.497 3.140 20 0 EGADMP c1nc(CC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000451044970 310157443 /nfs/dbraw/zinc/15/74/43/310157443.db2.gz CHUDNQDZZRLMAA-ZWKOTPCHSA-N 2 1 327.497 3.140 20 0 EGADMP c1nc(CC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000451044970 310157444 /nfs/dbraw/zinc/15/74/44/310157444.db2.gz CHUDNQDZZRLMAA-ZWKOTPCHSA-N 2 1 327.497 3.140 20 0 EGADMP O=C1CCC(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000451044327 310157503 /nfs/dbraw/zinc/15/75/03/310157503.db2.gz BHFMRAZPMUWJIK-UXHICEINSA-N 2 1 326.484 3.200 20 0 EGADMP O=C1CCC(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000451044327 310157504 /nfs/dbraw/zinc/15/75/04/310157504.db2.gz BHFMRAZPMUWJIK-UXHICEINSA-N 2 1 326.484 3.200 20 0 EGADMP O=C1CCC(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000451044327 310157505 /nfs/dbraw/zinc/15/75/05/310157505.db2.gz BHFMRAZPMUWJIK-UXHICEINSA-N 2 1 326.484 3.200 20 0 EGADMP O=C1CCC(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000451044327 310157506 /nfs/dbraw/zinc/15/75/06/310157506.db2.gz BHFMRAZPMUWJIK-UXHICEINSA-N 2 1 326.484 3.200 20 0 EGADMP O[C@@]1(C[NH2+][C@H](C2CC2)C2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000453113458 310258824 /nfs/dbraw/zinc/25/88/24/310258824.db2.gz DZXQTXFJRANCJO-LEWJYISDSA-N 2 1 328.500 3.182 20 0 EGADMP O[C@@]1(C[NH2+][C@H](C2CC2)C2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000453113458 310258825 /nfs/dbraw/zinc/25/88/25/310258825.db2.gz DZXQTXFJRANCJO-LEWJYISDSA-N 2 1 328.500 3.182 20 0 EGADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000453126352 310259732 /nfs/dbraw/zinc/25/97/32/310259732.db2.gz OWISTTUVUSEFSO-RBUKOAKNSA-N 2 1 330.497 3.426 20 0 EGADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000453126352 310259733 /nfs/dbraw/zinc/25/97/33/310259733.db2.gz OWISTTUVUSEFSO-RBUKOAKNSA-N 2 1 330.497 3.426 20 0 EGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C1CC1 ZINC000453213694 310264379 /nfs/dbraw/zinc/26/43/79/310264379.db2.gz ATWMHXGZTQAXMM-JSXRDJHFSA-N 2 1 328.500 3.444 20 0 EGADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453212282 310264420 /nfs/dbraw/zinc/26/44/20/310264420.db2.gz OBUGFICKXOEZPT-QGLKVJOYSA-N 2 1 328.500 3.180 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C2(O)CCCC2)[C@H](C)C1 ZINC000453372650 310273582 /nfs/dbraw/zinc/27/35/82/310273582.db2.gz GQTFGJJMVGGZIX-QZTJIDSGSA-N 2 1 340.552 3.044 20 0 EGADMP CCn1ccnc1[C@@H](C)NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000454373952 310306119 /nfs/dbraw/zinc/30/61/19/310306119.db2.gz RNMDEMZPAVLBHS-OWCLPIDISA-N 2 1 349.523 3.020 20 0 EGADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000454712621 310325196 /nfs/dbraw/zinc/32/51/96/310325196.db2.gz CZZWPQOUIJIFRS-QGZVFWFLSA-N 2 1 341.459 3.035 20 0 EGADMP CC[C@@H]1CN(CC)CCN1C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000454712621 310325197 /nfs/dbraw/zinc/32/51/97/310325197.db2.gz CZZWPQOUIJIFRS-QGZVFWFLSA-N 2 1 341.459 3.035 20 0 EGADMP Cc1cc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cn2cc[nH+]c12 ZINC000455641304 310371004 /nfs/dbraw/zinc/37/10/04/310371004.db2.gz KPAXRKQWZRWUDK-HNNXBMFYSA-N 2 1 331.464 3.131 20 0 EGADMP Cc1cc(NC(=O)CCn2cc[nH+]c2C(C)C)ccc1C[NH+](C)C ZINC000458282383 310496193 /nfs/dbraw/zinc/49/61/93/310496193.db2.gz MAKYCJFOEPZTRW-UHFFFAOYSA-N 2 1 328.460 3.405 20 0 EGADMP COCC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(C(F)(F)F)c1 ZINC000459526207 310558453 /nfs/dbraw/zinc/55/84/53/310558453.db2.gz YFEYCZNCISGYOH-MRXNPFEDSA-N 2 1 341.377 3.349 20 0 EGADMP Fc1cc(Cl)cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000485708029 310981288 /nfs/dbraw/zinc/98/12/88/310981288.db2.gz HEPWTTAXEFSXPF-UHFFFAOYSA-N 2 1 340.870 3.413 20 0 EGADMP Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2cc[nH+]c3ccccc23)cc1 ZINC000486453760 310992786 /nfs/dbraw/zinc/99/27/86/310992786.db2.gz WGBUQCXETLWMBU-JOCHJYFZSA-N 2 1 347.462 3.451 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000486939122 311003069 /nfs/dbraw/zinc/00/30/69/311003069.db2.gz JHJIUKSDQQQIEM-YLJYHZDGSA-N 2 1 343.515 3.097 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000506263064 312046143 /nfs/dbraw/zinc/04/61/43/312046143.db2.gz HWJIYHZBYZLUDP-FPOVZHCZSA-N 2 1 345.531 3.324 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2C(=O)OC)CC1 ZINC000506929162 312056062 /nfs/dbraw/zinc/05/60/62/312056062.db2.gz LQHSTNMTJXIBAK-UHFFFAOYSA-N 2 1 332.488 3.417 20 0 EGADMP C[C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[NH+](C)C1CC1 ZINC000512672616 312192020 /nfs/dbraw/zinc/19/20/20/312192020.db2.gz LLRVERXORANIMQ-QTPAZIJBSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@H](CN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21)[N@H+](C)C1CC1 ZINC000512672616 312192021 /nfs/dbraw/zinc/19/20/21/312192021.db2.gz LLRVERXORANIMQ-QTPAZIJBSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@H](CN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21)[N@@H+](C)C1CC1 ZINC000512672616 312192022 /nfs/dbraw/zinc/19/20/22/312192022.db2.gz LLRVERXORANIMQ-QTPAZIJBSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N(C)C1CC1 ZINC000512672616 312192023 /nfs/dbraw/zinc/19/20/23/312192023.db2.gz LLRVERXORANIMQ-QTPAZIJBSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N(C)C1CC1 ZINC000512672616 312192024 /nfs/dbraw/zinc/19/20/24/312192024.db2.gz LLRVERXORANIMQ-QTPAZIJBSA-N 2 1 341.543 3.359 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]CC2([NH+](C)C)CCCC2)c(C)c1OC ZINC000514083337 312224215 /nfs/dbraw/zinc/22/42/15/312224215.db2.gz KPRWAQGYHBGHPB-OAHLLOKOSA-N 2 1 334.504 3.407 20 0 EGADMP COc1cc(C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000515146527 312268030 /nfs/dbraw/zinc/26/80/30/312268030.db2.gz WGWHZWBZMKFDPI-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP C[NH+](C)CCN(C(=O)CC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000516828013 312343858 /nfs/dbraw/zinc/34/38/58/312343858.db2.gz VOTMKOMJCJPDNE-UHFFFAOYSA-N 2 1 331.504 3.236 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000516862168 312346006 /nfs/dbraw/zinc/34/60/06/312346006.db2.gz MKQXUGAKVLYCEW-NRFANRHFSA-N 2 1 326.484 3.222 20 0 EGADMP Cc1nccn1CCN1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC000528639805 313135622 /nfs/dbraw/zinc/13/56/22/313135622.db2.gz MMCCOMYCGBZAOB-FQEVSTJZSA-N 2 1 326.488 3.034 20 0 EGADMP Cc1[nH+]ccn1CCN1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC000528639805 313135625 /nfs/dbraw/zinc/13/56/25/313135625.db2.gz MMCCOMYCGBZAOB-FQEVSTJZSA-N 2 1 326.488 3.034 20 0 EGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000538761199 314273951 /nfs/dbraw/zinc/27/39/51/314273951.db2.gz PRDRUPFVDFQSBW-FQEVSTJZSA-N 2 1 345.531 3.074 20 0 EGADMP CCCOc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000538761003 314274076 /nfs/dbraw/zinc/27/40/76/314274076.db2.gz BITLLPWOFKUTSC-HXUWFJFHSA-N 2 1 345.531 3.076 20 0 EGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000539065164 314294002 /nfs/dbraw/zinc/29/40/02/314294002.db2.gz PJKKFKSNDWRUHO-FFZOFVMBSA-N 2 1 346.515 3.422 20 0 EGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000539065167 314294122 /nfs/dbraw/zinc/29/41/22/314294122.db2.gz PJKKFKSNDWRUHO-VDGAXYAQSA-N 2 1 346.515 3.422 20 0 EGADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCC[C@H]2C2CC2)c2cccs2)CC1 ZINC000540260910 314372724 /nfs/dbraw/zinc/37/27/24/314372724.db2.gz NYTYVTDOPQZZSA-OKZBNKHCSA-N 2 1 333.545 3.205 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000550199978 315120084 /nfs/dbraw/zinc/12/00/84/315120084.db2.gz SKLHLZHSVHGOSB-HNNXBMFYSA-N 2 1 335.289 3.158 20 0 EGADMP Cc1oc(C(C)C)cc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000551934665 315180200 /nfs/dbraw/zinc/18/02/00/315180200.db2.gz DSWRIDMRJKCRIV-UHFFFAOYSA-N 2 1 342.443 3.111 20 0 EGADMP C[C@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[NH+]1CC(C)C1 ZINC000552979883 315239291 /nfs/dbraw/zinc/23/92/91/315239291.db2.gz DYTSOLBVCDWLNU-ZWKOTPCHSA-N 2 1 343.515 3.017 20 0 EGADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCCC23CCC3)c2cccs2)CC1 ZINC000562646550 315868844 /nfs/dbraw/zinc/86/88/44/315868844.db2.gz RQWQIDQYOAFFSI-AEFFLSMTSA-N 2 1 333.545 3.349 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2sccc2Br)C1 ZINC000563570280 316039532 /nfs/dbraw/zinc/03/95/32/316039532.db2.gz BDULZNVNLWBCMP-WCQYABFASA-N 2 1 329.307 3.427 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[C@@H](C)C[C@@H]3C)CC2)CC1 ZINC000565184603 316285835 /nfs/dbraw/zinc/28/58/35/316285835.db2.gz CGUYWAOZNAMJRB-FUHIMQAGSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cncc(Br)c1 ZINC000565247036 316298753 /nfs/dbraw/zinc/29/87/53/316298753.db2.gz RLTYNYCHIIMSQY-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000565606097 316346465 /nfs/dbraw/zinc/34/64/65/316346465.db2.gz FSDTVMWYJKASGE-IBGZPJMESA-N 2 1 327.472 3.236 20 0 EGADMP C[N@@H+](Cc1ccc(Br)c2cccnc12)CC(C)(C)C[NH3+] ZINC000166546219 454913695 /nfs/dbraw/zinc/91/36/95/454913695.db2.gz WMKUGNCBXMYGMJ-UHFFFAOYSA-N 2 1 336.277 3.414 20 0 EGADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000570953582 317132475 /nfs/dbraw/zinc/13/24/75/317132475.db2.gz PQMLRIKKBPJLSQ-FYQPLNBISA-N 2 1 343.515 3.153 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(O)c1 ZINC000571368447 317188266 /nfs/dbraw/zinc/18/82/66/317188266.db2.gz WNPHWSBSQSMCBM-QAPCUYQASA-N 2 1 345.512 3.093 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000571533179 317213283 /nfs/dbraw/zinc/21/32/83/317213283.db2.gz JZESTTQCIAHCGC-LJQANCHMSA-N 2 1 331.435 3.173 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000571533179 317213285 /nfs/dbraw/zinc/21/32/85/317213285.db2.gz JZESTTQCIAHCGC-LJQANCHMSA-N 2 1 331.435 3.173 20 0 EGADMP CN(CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000571557215 317216839 /nfs/dbraw/zinc/21/68/39/317216839.db2.gz VPJARJMYXOGLFR-GHTZIAJQSA-N 2 1 327.516 3.462 20 0 EGADMP CN(CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000571557215 317216841 /nfs/dbraw/zinc/21/68/41/317216841.db2.gz VPJARJMYXOGLFR-GHTZIAJQSA-N 2 1 327.516 3.462 20 0 EGADMP CN(CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000571557215 317216846 /nfs/dbraw/zinc/21/68/46/317216846.db2.gz VPJARJMYXOGLFR-GHTZIAJQSA-N 2 1 327.516 3.462 20 0 EGADMP CN(CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000571557215 317216849 /nfs/dbraw/zinc/21/68/49/317216849.db2.gz VPJARJMYXOGLFR-GHTZIAJQSA-N 2 1 327.516 3.462 20 0 EGADMP c1nc2ccccn2c1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000572170405 317301020 /nfs/dbraw/zinc/30/10/20/317301020.db2.gz PMBSDIOVDVUYCK-UXHICEINSA-N 2 1 346.478 3.288 20 0 EGADMP c1nc2ccccn2c1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000572170405 317301025 /nfs/dbraw/zinc/30/10/25/317301025.db2.gz PMBSDIOVDVUYCK-UXHICEINSA-N 2 1 346.478 3.288 20 0 EGADMP c1nc2ccccn2c1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000572170405 317301031 /nfs/dbraw/zinc/30/10/31/317301031.db2.gz PMBSDIOVDVUYCK-UXHICEINSA-N 2 1 346.478 3.288 20 0 EGADMP c1nc2ccccn2c1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000572170405 317301033 /nfs/dbraw/zinc/30/10/33/317301033.db2.gz PMBSDIOVDVUYCK-UXHICEINSA-N 2 1 346.478 3.288 20 0 EGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc(F)ccc3F)CC2)C[C@H](C)O1 ZINC000171304254 323228765 /nfs/dbraw/zinc/22/87/65/323228765.db2.gz VQDSDIUJMJSRKG-GJZGRUSLSA-N 2 1 338.442 3.286 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000177902876 323347685 /nfs/dbraw/zinc/34/76/85/323347685.db2.gz FZSYLXUAIYJGIV-CJNGLKHVSA-N 2 1 330.394 3.404 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2cccc(Br)c2)[C@H](C)C1 ZINC000177926976 323348096 /nfs/dbraw/zinc/34/80/96/323348096.db2.gz OUTIOAMCMSDJPR-CJNGLKHVSA-N 2 1 341.293 3.148 20 0 EGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000183052190 323591838 /nfs/dbraw/zinc/59/18/38/323591838.db2.gz YXNLTVJVEXMDMX-UYAOXDASSA-N 2 1 349.563 3.079 20 0 EGADMP OC[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000392159827 324288399 /nfs/dbraw/zinc/28/83/99/324288399.db2.gz RMVZZNWRUHRRBG-VQTJNVASSA-N 2 1 330.516 3.082 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398010118 324294727 /nfs/dbraw/zinc/29/47/27/324294727.db2.gz RZPODAWBUMBJMZ-YTQUADARSA-N 2 1 345.531 3.037 20 0 EGADMP Cc1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000417948338 324302839 /nfs/dbraw/zinc/30/28/39/324302839.db2.gz HOTVJNUYWCCDRD-HKUYNNGSSA-N 2 1 326.488 3.119 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000579715344 325149632 /nfs/dbraw/zinc/14/96/32/325149632.db2.gz ZLFFSPSKSPZAQE-LJQANCHMSA-N 2 1 341.430 3.148 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000579715344 325149635 /nfs/dbraw/zinc/14/96/35/325149635.db2.gz ZLFFSPSKSPZAQE-LJQANCHMSA-N 2 1 341.430 3.148 20 0 EGADMP Cc1cnccc1C[NH2+]CC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000580281105 325227103 /nfs/dbraw/zinc/22/71/03/325227103.db2.gz LMURXGYGRUUNBN-SFHVURJKSA-N 2 1 339.483 3.380 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]12 ZINC000581696548 325383089 /nfs/dbraw/zinc/38/30/89/325383089.db2.gz PXIMPWUNAQFMQT-OYNPSCLESA-N 2 1 329.532 3.215 20 0 EGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000581696548 325383091 /nfs/dbraw/zinc/38/30/91/325383091.db2.gz PXIMPWUNAQFMQT-OYNPSCLESA-N 2 1 329.532 3.215 20 0 EGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000581696548 325383092 /nfs/dbraw/zinc/38/30/92/325383092.db2.gz PXIMPWUNAQFMQT-OYNPSCLESA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cncc(Br)c1 ZINC000581737326 325387803 /nfs/dbraw/zinc/38/78/03/325387803.db2.gz DIYZWEDVVHPLDA-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC[N@H+]1C ZINC000180677171 455225631 /nfs/dbraw/zinc/22/56/31/455225631.db2.gz VHWDESUEYUTBFL-HOTGVXAUSA-N 2 1 336.907 3.461 20 0 EGADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000238015787 455245075 /nfs/dbraw/zinc/24/50/75/455245075.db2.gz UYFOUNZUSHGJCL-NRFANRHFSA-N 2 1 342.458 3.156 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)[C@H](C)C1 ZINC000157953206 455252545 /nfs/dbraw/zinc/25/25/45/455252545.db2.gz COUXISZHEXOBDB-VCBZYWHSSA-N 2 1 337.458 3.111 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000173345955 455269911 /nfs/dbraw/zinc/26/99/11/455269911.db2.gz HNDXDGCXBYRGEW-ZDUSSCGKSA-N 2 1 330.394 3.203 20 0 EGADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)co2)c1 ZINC000631827447 460575318 /nfs/dbraw/zinc/57/53/18/460575318.db2.gz OOQXEVFJUSSPLF-SJORKVTESA-N 2 1 341.455 3.172 20 0 EGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cccnc1 ZINC000245579104 455334557 /nfs/dbraw/zinc/33/45/57/455334557.db2.gz ARWUUMYRBTYUEO-NQIIRXRSSA-N 2 1 338.499 3.111 20 0 EGADMP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631843912 460579609 /nfs/dbraw/zinc/57/96/09/460579609.db2.gz CGGCIZKSPSGCLH-MFKMUULPSA-N 2 1 340.258 3.052 20 0 EGADMP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631843912 460579615 /nfs/dbraw/zinc/57/96/15/460579615.db2.gz CGGCIZKSPSGCLH-MFKMUULPSA-N 2 1 340.258 3.052 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)sc1C ZINC000081670327 453902834 /nfs/dbraw/zinc/90/28/34/453902834.db2.gz WFBDDUCVBLBPTJ-OKILXGFUSA-N 2 1 337.533 3.081 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)sc1C ZINC000081670327 453902836 /nfs/dbraw/zinc/90/28/36/453902836.db2.gz WFBDDUCVBLBPTJ-OKILXGFUSA-N 2 1 337.533 3.081 20 0 EGADMP CCO[C@@H](C)c1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)cs1 ZINC000077172864 454070581 /nfs/dbraw/zinc/07/05/81/454070581.db2.gz QTSBWYBYNWUOIF-AWEZNQCLSA-N 2 1 325.522 3.404 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@H](C)C1 ZINC000245937640 455403837 /nfs/dbraw/zinc/40/38/37/455403837.db2.gz JJPYJONUELNYCV-GLJUWKHASA-N 2 1 339.886 3.378 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH+](C)C2CC2)cc1 ZINC000057704862 454142156 /nfs/dbraw/zinc/14/21/56/454142156.db2.gz VXKHQTNKKUFXJE-MRXNPFEDSA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000057704862 454142159 /nfs/dbraw/zinc/14/21/59/454142159.db2.gz VXKHQTNKKUFXJE-MRXNPFEDSA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000057704862 454142162 /nfs/dbraw/zinc/14/21/62/454142162.db2.gz VXKHQTNKKUFXJE-MRXNPFEDSA-N 2 1 331.504 3.131 20 0 EGADMP C[C@@H](CCn1cccn1)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000246057942 455419587 /nfs/dbraw/zinc/41/95/87/455419587.db2.gz YWYSMRVECLKFGF-YOUFYPILSA-N 2 1 340.515 3.408 20 0 EGADMP CC(C)N(CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000131561041 454265427 /nfs/dbraw/zinc/26/54/27/454265427.db2.gz FCEAQYMLVNDTEC-JKSUJKDBSA-N 2 1 327.513 3.094 20 0 EGADMP CC[NH+]1CCC([N@H+](C)CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000072513576 454300888 /nfs/dbraw/zinc/30/08/88/454300888.db2.gz XGTIGACEAAETCB-UHFFFAOYSA-N 2 1 346.393 3.380 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000072513576 454300893 /nfs/dbraw/zinc/30/08/93/454300893.db2.gz XGTIGACEAAETCB-UHFFFAOYSA-N 2 1 346.393 3.380 20 0 EGADMP CCC(CC)(CO)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090800783 454340732 /nfs/dbraw/zinc/34/07/32/454340732.db2.gz WBCYOILZPJRTBY-UHFFFAOYSA-N 2 1 336.495 3.221 20 0 EGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000120807059 454350234 /nfs/dbraw/zinc/35/02/34/454350234.db2.gz HSXGEYYMYSHNCU-QGZVFWFLSA-N 2 1 325.456 3.092 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000120807059 454350237 /nfs/dbraw/zinc/35/02/37/454350237.db2.gz HSXGEYYMYSHNCU-QGZVFWFLSA-N 2 1 325.456 3.092 20 0 EGADMP COc1ccc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c(F)c1 ZINC000090937417 454353084 /nfs/dbraw/zinc/35/30/84/454353084.db2.gz QNRISZXZZLPAHI-AWEZNQCLSA-N 2 1 347.434 3.021 20 0 EGADMP Cc1ccc([C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000062361253 454374105 /nfs/dbraw/zinc/37/41/05/454374105.db2.gz WQONPSALZINUNV-WOJBJXKFSA-N 2 1 339.483 3.017 20 0 EGADMP Cc1ccc([C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000062361257 454374394 /nfs/dbraw/zinc/37/43/94/454374394.db2.gz WQONPSALZINUNV-VQTJNVASSA-N 2 1 339.483 3.017 20 0 EGADMP COc1cc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc(OC)c1OC ZINC000121451407 454436505 /nfs/dbraw/zinc/43/65/05/454436505.db2.gz KUPDLRBGTHCATK-UONOGXRCSA-N 2 1 347.459 3.204 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000073567791 454451247 /nfs/dbraw/zinc/45/12/47/454451247.db2.gz UJLXSPFZNUWVHN-UHFFFAOYSA-N 2 1 334.508 3.120 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc([S@@](C)=O)cc2)CC1 ZINC000134173120 454511923 /nfs/dbraw/zinc/51/19/23/454511923.db2.gz WMKJPEUWRFQBRQ-QHCPKHFHSA-N 2 1 336.545 3.368 20 0 EGADMP C[N@@H+](CCOc1cccc(C[NH2+]CC(C)(C)C)c1)C1CCOCC1 ZINC000102781456 454520838 /nfs/dbraw/zinc/52/08/38/454520838.db2.gz VUVKZYLCZDPREF-UHFFFAOYSA-N 2 1 334.504 3.312 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092565082 454586867 /nfs/dbraw/zinc/58/68/67/454586867.db2.gz SUKSCKUUHJMJKA-OOHWJJMZSA-N 2 1 335.492 3.318 20 0 EGADMP COCC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC(C)C ZINC000092563625 454587017 /nfs/dbraw/zinc/58/70/17/454587017.db2.gz WNTZQHMIMNKXTG-UHFFFAOYSA-N 2 1 347.547 3.321 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC000080568618 454600143 /nfs/dbraw/zinc/60/01/43/454600143.db2.gz XSRLAZTYKBLKRR-UXHICEINSA-N 2 1 343.515 3.017 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080568618 454600144 /nfs/dbraw/zinc/60/01/44/454600144.db2.gz XSRLAZTYKBLKRR-UXHICEINSA-N 2 1 343.515 3.017 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080568618 454600146 /nfs/dbraw/zinc/60/01/46/454600146.db2.gz XSRLAZTYKBLKRR-UXHICEINSA-N 2 1 343.515 3.017 20 0 EGADMP COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123528732 454648623 /nfs/dbraw/zinc/64/86/23/454648623.db2.gz LAKIWSLTENXVFA-INIZCTEOSA-N 2 1 347.503 3.076 20 0 EGADMP Cc1cc(-c2nnc(C[NH+]3CCC(CC[NH+](C)C)CC3)o2)c(C)o1 ZINC000161942960 454739415 /nfs/dbraw/zinc/73/94/15/454739415.db2.gz LHEWJMVNQXLSSS-UHFFFAOYSA-N 2 1 332.448 3.110 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009432 460652035 /nfs/dbraw/zinc/65/20/35/460652035.db2.gz GZIGEFSVTXNXPZ-HOJAQTOUSA-N 2 1 329.532 3.265 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009432 460652043 /nfs/dbraw/zinc/65/20/43/460652043.db2.gz GZIGEFSVTXNXPZ-HOJAQTOUSA-N 2 1 329.532 3.265 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000162188978 454757839 /nfs/dbraw/zinc/75/78/39/454757839.db2.gz PPPVUVNIHBXLCF-WQGACYEGSA-N 2 1 343.284 3.449 20 0 EGADMP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)NCC1CCCCC1 ZINC000107730968 454771557 /nfs/dbraw/zinc/77/15/57/454771557.db2.gz UCNMXYIBEORGRL-UHFFFAOYSA-N 2 1 349.563 3.271 20 0 EGADMP Cn1cc[nH+]c1CC1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000162644097 454790298 /nfs/dbraw/zinc/79/02/98/454790298.db2.gz FXAFKJAGSBUHRW-UHFFFAOYSA-N 2 1 333.863 3.407 20 0 EGADMP CCc1ccc2c(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cc(=O)oc2c1 ZINC000139981199 454814398 /nfs/dbraw/zinc/81/43/98/454814398.db2.gz USMDYFGJBDEOSI-APWZRJJASA-N 2 1 340.467 3.272 20 0 EGADMP CCc1ccc2c(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cc(=O)oc2c1 ZINC000139981199 454814401 /nfs/dbraw/zinc/81/44/01/454814401.db2.gz USMDYFGJBDEOSI-APWZRJJASA-N 2 1 340.467 3.272 20 0 EGADMP CCc1ccc2c(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc(=O)oc2c1 ZINC000139981199 454814406 /nfs/dbraw/zinc/81/44/06/454814406.db2.gz USMDYFGJBDEOSI-APWZRJJASA-N 2 1 340.467 3.272 20 0 EGADMP CCc1ccc2c(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc(=O)oc2c1 ZINC000139981199 454814409 /nfs/dbraw/zinc/81/44/09/454814409.db2.gz USMDYFGJBDEOSI-APWZRJJASA-N 2 1 340.467 3.272 20 0 EGADMP Cc1ccc2c(CN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc(=O)oc2c1 ZINC000140003588 454814885 /nfs/dbraw/zinc/81/48/85/454814885.db2.gz PTTPOKGWPWICQX-QAPCUYQASA-N 2 1 326.440 3.018 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc(=O)oc2c1 ZINC000140003588 454814887 /nfs/dbraw/zinc/81/48/87/454814887.db2.gz PTTPOKGWPWICQX-QAPCUYQASA-N 2 1 326.440 3.018 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc(=O)oc2c1 ZINC000140003588 454814890 /nfs/dbraw/zinc/81/48/90/454814890.db2.gz PTTPOKGWPWICQX-QAPCUYQASA-N 2 1 326.440 3.018 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cc(=O)oc2c1 ZINC000140003588 454814891 /nfs/dbraw/zinc/81/48/91/454814891.db2.gz PTTPOKGWPWICQX-QAPCUYQASA-N 2 1 326.440 3.018 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cc(=O)oc2c1 ZINC000140003588 454814892 /nfs/dbraw/zinc/81/48/92/454814892.db2.gz PTTPOKGWPWICQX-QAPCUYQASA-N 2 1 326.440 3.018 20 0 EGADMP C[C@H](N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153677951 454820650 /nfs/dbraw/zinc/82/06/50/454820650.db2.gz XYFINRKVGOZZOZ-HKUYNNGSSA-N 2 1 345.531 3.295 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(C2CCCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153677951 454820654 /nfs/dbraw/zinc/82/06/54/454820654.db2.gz XYFINRKVGOZZOZ-HKUYNNGSSA-N 2 1 345.531 3.295 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)C[C@@H]2C(C)C)cc1)C(C)C ZINC000153717937 454824847 /nfs/dbraw/zinc/82/48/47/454824847.db2.gz FLHDIHVVMDEBRS-HXUWFJFHSA-N 2 1 345.531 3.329 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1)C(C)C ZINC000153717937 454824851 /nfs/dbraw/zinc/82/48/51/454824851.db2.gz FLHDIHVVMDEBRS-HXUWFJFHSA-N 2 1 345.531 3.329 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1)C(C)C ZINC000153717937 454824856 /nfs/dbraw/zinc/82/48/56/454824856.db2.gz FLHDIHVVMDEBRS-HXUWFJFHSA-N 2 1 345.531 3.329 20 0 EGADMP COCC[N@@H+](C)CCCN[C@H]1CCCOc2c(Cl)cccc21 ZINC000153741629 454827888 /nfs/dbraw/zinc/82/78/88/454827888.db2.gz MTUHICXDRSAQGE-INIZCTEOSA-N 2 1 326.868 3.112 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000153741629 454827896 /nfs/dbraw/zinc/82/78/96/454827896.db2.gz MTUHICXDRSAQGE-INIZCTEOSA-N 2 1 326.868 3.112 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C[C@@H]1C[NH3+] ZINC000163421495 454846549 /nfs/dbraw/zinc/84/65/49/454846549.db2.gz FJCAEHIYSLZMBS-JSGCOSHPSA-N 2 1 348.288 3.414 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C[C@@H]1C[NH3+] ZINC000163421495 454846556 /nfs/dbraw/zinc/84/65/56/454846556.db2.gz FJCAEHIYSLZMBS-JSGCOSHPSA-N 2 1 348.288 3.414 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000125844563 454851523 /nfs/dbraw/zinc/85/15/23/454851523.db2.gz HRMJPOQQLSFYDC-IRXDYDNUSA-N 2 1 345.487 3.414 20 0 EGADMP C[C@@H](c1ccccn1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177501208 454871192 /nfs/dbraw/zinc/87/11/92/454871192.db2.gz RHDRDZUHUHXUDI-KSZLIROESA-N 2 1 331.504 3.354 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2c(F)cccc2F)[C@H](C)C1 ZINC000164708695 454888277 /nfs/dbraw/zinc/88/82/77/454888277.db2.gz RRUPPMJKTJJOHC-DNVCBOLYSA-N 2 1 340.458 3.234 20 0 EGADMP COc1cc2[nH]c(CCC[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)cc2c(OC)c1 ZINC000166343814 454911136 /nfs/dbraw/zinc/91/11/36/454911136.db2.gz PTVHKDFWQDEYDZ-KDOFPFPSSA-N 2 1 345.487 3.048 20 0 EGADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(Cl)sc1Cl ZINC000154987687 454951446 /nfs/dbraw/zinc/95/14/46/454951446.db2.gz WENZVFFFCWGXPJ-GHMZBOCLSA-N 2 1 336.332 3.341 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)c1ccccc1Cl ZINC000178816760 454981004 /nfs/dbraw/zinc/98/10/04/454981004.db2.gz YVIDPZFOOXYPPH-ZWKOTPCHSA-N 2 1 345.874 3.149 20 0 EGADMP Fc1ccc(C[N@@H+](CCc2ccccn2)CC2CC[NH2+]CC2)cc1 ZINC000178979993 454995882 /nfs/dbraw/zinc/99/58/82/454995882.db2.gz NVSZFZAGRRANLJ-UHFFFAOYSA-N 2 1 327.447 3.265 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1OC(F)F ZINC000623655162 460661590 /nfs/dbraw/zinc/66/15/90/460661590.db2.gz PSKIPEAYLSEURL-AWEZNQCLSA-N 2 1 328.403 3.118 20 0 EGADMP C[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000155956453 455065939 /nfs/dbraw/zinc/06/59/39/455065939.db2.gz NAFZZWXPPYTTNF-UXHICEINSA-N 2 1 343.559 3.404 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3C)CCOCC2)[C@H](C)C1 ZINC000152409791 455114421 /nfs/dbraw/zinc/11/44/21/455114421.db2.gz DPZMTJUVWRMTIK-UYAOXDASSA-N 2 1 330.516 3.363 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000119023811 455120315 /nfs/dbraw/zinc/12/03/15/455120315.db2.gz CGYOYHVNNZJCSJ-AEFFLSMTSA-N 2 1 344.499 3.199 20 0 EGADMP CN(Cc1cccc(C(=O)N2CCCCC2)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152491850 455126720 /nfs/dbraw/zinc/12/67/20/455126720.db2.gz FJOWPKRJIVSSFK-IBGZPJMESA-N 2 1 343.515 3.086 20 0 EGADMP C[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C[C@H]1CCC[NH+](C)C1 ZINC000152491850 455126723 /nfs/dbraw/zinc/12/67/23/455126723.db2.gz FJOWPKRJIVSSFK-IBGZPJMESA-N 2 1 343.515 3.086 20 0 EGADMP C[N@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C[C@H]1CCC[NH+](C)C1 ZINC000152491850 455126725 /nfs/dbraw/zinc/12/67/25/455126725.db2.gz FJOWPKRJIVSSFK-IBGZPJMESA-N 2 1 343.515 3.086 20 0 EGADMP C[NH+](Cc1cccc(C(=O)N2CCCCC2)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000152491850 455126728 /nfs/dbraw/zinc/12/67/28/455126728.db2.gz FJOWPKRJIVSSFK-IBGZPJMESA-N 2 1 343.515 3.086 20 0 EGADMP C[NH+](Cc1cccc(C(=O)N2CCCCC2)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152491850 455126729 /nfs/dbraw/zinc/12/67/29/455126729.db2.gz FJOWPKRJIVSSFK-IBGZPJMESA-N 2 1 343.515 3.086 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000172197559 455134273 /nfs/dbraw/zinc/13/42/73/455134273.db2.gz ZRBJUINUEREQED-IBGZPJMESA-N 2 1 325.456 3.044 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000172197559 455134274 /nfs/dbraw/zinc/13/42/74/455134274.db2.gz ZRBJUINUEREQED-IBGZPJMESA-N 2 1 325.456 3.044 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657764 460664639 /nfs/dbraw/zinc/66/46/39/460664639.db2.gz YOLWBJZFVGQYCQ-INIZCTEOSA-N 2 1 330.451 3.141 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657764 460664644 /nfs/dbraw/zinc/66/46/44/460664644.db2.gz YOLWBJZFVGQYCQ-INIZCTEOSA-N 2 1 330.451 3.141 20 0 EGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000180228764 455150231 /nfs/dbraw/zinc/15/02/31/455150231.db2.gz IMMNANQXJYACEA-XYZKALLWSA-N 2 1 326.843 3.381 20 0 EGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000180228764 455150233 /nfs/dbraw/zinc/15/02/33/455150233.db2.gz IMMNANQXJYACEA-XYZKALLWSA-N 2 1 326.843 3.381 20 0 EGADMP C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156935210 455157768 /nfs/dbraw/zinc/15/77/68/455157768.db2.gz ANPHIEXHDIWNLR-LSTHTHJFSA-N 2 1 343.515 3.052 20 0 EGADMP Cn1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(-c2ccccc2)n1 ZINC000180439728 455169973 /nfs/dbraw/zinc/16/99/73/455169973.db2.gz HLMUGWHRFRVWMK-IBGZPJMESA-N 2 1 326.488 3.393 20 0 EGADMP Cn1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(-c2ccccc2)n1 ZINC000180439728 455169976 /nfs/dbraw/zinc/16/99/76/455169976.db2.gz HLMUGWHRFRVWMK-IBGZPJMESA-N 2 1 326.488 3.393 20 0 EGADMP Cn1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(-c2ccccc2)n1 ZINC000180439728 455169979 /nfs/dbraw/zinc/16/99/79/455169979.db2.gz HLMUGWHRFRVWMK-IBGZPJMESA-N 2 1 326.488 3.393 20 0 EGADMP Cn1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(-c2ccccc2)n1 ZINC000180439728 455169983 /nfs/dbraw/zinc/16/99/83/455169983.db2.gz HLMUGWHRFRVWMK-IBGZPJMESA-N 2 1 326.488 3.393 20 0 EGADMP O[C@H]1CC[C@@H](C[NH2+][C@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000189311241 455174789 /nfs/dbraw/zinc/17/47/89/455174789.db2.gz CGUJRMAGUZCWFB-ADAARDCZSA-N 2 1 328.500 3.038 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(C[NH3+])o2)cc1 ZINC000237524872 455192538 /nfs/dbraw/zinc/19/25/38/455192538.db2.gz ANWRRPCXYRDMHN-HNNXBMFYSA-N 2 1 341.455 3.043 20 0 EGADMP CCN(C(=O)CN1CC[C@H](C[N@@H+](C)CC)C1)[C@H](C)c1ccc(F)cc1 ZINC000245442536 455301505 /nfs/dbraw/zinc/30/15/05/455301505.db2.gz ICLTZISYCBOUAQ-IAGOWNOFSA-N 2 1 349.494 3.009 20 0 EGADMP Cc1ccc2c(CN(C)CC[C@@H]3CCCC[N@H+]3C)cc(=O)oc2c1 ZINC000173637564 455320146 /nfs/dbraw/zinc/32/01/46/455320146.db2.gz HNOCUZREDKGZQX-KRWDZBQOSA-N 2 1 328.456 3.408 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(Cc3nc(-c4cccc(Cl)c4)no3)CC[C@@H]21 ZINC000158730160 455326008 /nfs/dbraw/zinc/32/60/08/455326008.db2.gz XXRZZPYTEUZZOC-ZBFHGGJFSA-N 2 1 346.862 3.306 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000158950445 455339189 /nfs/dbraw/zinc/33/91/89/455339189.db2.gz RRBNUNPRTSOOKN-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000184316623 455370082 /nfs/dbraw/zinc/37/00/82/455370082.db2.gz YAAIMDKKGYUNPH-HOTGVXAUSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000184316601 455370176 /nfs/dbraw/zinc/37/01/76/455370176.db2.gz YAAIMDKKGYUNPH-CVEARBPZSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCC1)c1ccccc1 ZINC000601007944 460673493 /nfs/dbraw/zinc/67/34/93/460673493.db2.gz SNMKWTMQOCRZAY-IEBWSBKVSA-N 2 1 343.515 3.251 20 0 EGADMP CC(C)C[N@@H+]1CCO[C@H](CN[C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000246384305 455480853 /nfs/dbraw/zinc/48/08/53/455480853.db2.gz AFBCIPZELCJBAP-MJGOQNOKSA-N 2 1 344.499 3.379 20 0 EGADMP CC(C)C[N@H+]1CCO[C@H](CN[C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000246384305 455480857 /nfs/dbraw/zinc/48/08/57/455480857.db2.gz AFBCIPZELCJBAP-MJGOQNOKSA-N 2 1 344.499 3.379 20 0 EGADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)c1cccc(O)c1 ZINC000191532294 455494499 /nfs/dbraw/zinc/49/44/99/455494499.db2.gz VLGFHYOYJCCWAA-GOSISDBHSA-N 2 1 333.520 3.191 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnccc2N(C)C)c1 ZINC000185168595 455515208 /nfs/dbraw/zinc/51/52/08/455515208.db2.gz NPUVYNQIIBDKSM-UHFFFAOYSA-N 2 1 326.488 3.278 20 0 EGADMP COc1ccc(C[C@H](C)C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1F ZINC000185270446 455531865 /nfs/dbraw/zinc/53/18/65/455531865.db2.gz BUWIKHPTPYZWAI-GJZGRUSLSA-N 2 1 333.451 3.444 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000246889633 455533143 /nfs/dbraw/zinc/53/31/43/455533143.db2.gz DSUNOAMJWIFKFP-QIYLELGZSA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246889633 455533148 /nfs/dbraw/zinc/53/31/48/455533148.db2.gz DSUNOAMJWIFKFP-QIYLELGZSA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246889633 455533151 /nfs/dbraw/zinc/53/31/51/455533151.db2.gz DSUNOAMJWIFKFP-QIYLELGZSA-N 2 1 329.532 3.215 20 0 EGADMP CCSc1cccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000185517844 455571832 /nfs/dbraw/zinc/57/18/32/455571832.db2.gz YTFRVLINGGZHFL-UHFFFAOYSA-N 2 1 335.561 3.162 20 0 EGADMP C[C@@H]([NH2+]CC(=O)NCCC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185696914 455599932 /nfs/dbraw/zinc/59/99/32/455599932.db2.gz DGUXXBULRXRVET-MJGOQNOKSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H]([NH2+]CC(=O)NCCC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185696914 455599938 /nfs/dbraw/zinc/59/99/38/455599938.db2.gz DGUXXBULRXRVET-MJGOQNOKSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cccc(F)c1 ZINC000185707970 455601860 /nfs/dbraw/zinc/60/18/60/455601860.db2.gz RBAUPSUDRVXVGB-JYJNAYRXSA-N 2 1 347.478 3.395 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cccc(F)c1 ZINC000185707970 455601866 /nfs/dbraw/zinc/60/18/66/455601866.db2.gz RBAUPSUDRVXVGB-JYJNAYRXSA-N 2 1 347.478 3.395 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000185712325 455602953 /nfs/dbraw/zinc/60/29/53/455602953.db2.gz NDDABHOBQXAIPM-ZWKOTPCHSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000185712325 455602962 /nfs/dbraw/zinc/60/29/62/455602962.db2.gz NDDABHOBQXAIPM-ZWKOTPCHSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n(C)n1 ZINC000284218596 455653389 /nfs/dbraw/zinc/65/33/89/455653389.db2.gz HDLBQSKTDJZKTL-HMXCVIKNSA-N 2 1 338.499 3.119 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(Cc3nnc(-c4cccc(Cl)c4)o3)CC[C@H]21 ZINC000247998766 455667342 /nfs/dbraw/zinc/66/73/42/455667342.db2.gz KDXDQRYRMCDUOG-GDBMZVCRSA-N 2 1 346.862 3.306 20 0 EGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000248001061 455668818 /nfs/dbraw/zinc/66/88/18/455668818.db2.gz KJQMWVCPKKZYDY-OGWHTMIXSA-N 2 1 333.495 3.421 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(OC(F)F)c1 ZINC000248009876 455670192 /nfs/dbraw/zinc/67/01/92/455670192.db2.gz LDHFQYUVVFTSKA-ZBFHGGJFSA-N 2 1 342.430 3.176 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)cc1 ZINC000271570568 455688005 /nfs/dbraw/zinc/68/80/05/455688005.db2.gz VQGXCSMZSIZCFV-XHDPSFHLSA-N 2 1 327.350 3.145 20 0 EGADMP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000284485180 455694607 /nfs/dbraw/zinc/69/46/07/455694607.db2.gz YCVRNWHDVPATSD-HXUWFJFHSA-N 2 1 348.450 3.071 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(Br)s2)CCCO1 ZINC000277931596 455712376 /nfs/dbraw/zinc/71/23/76/455712376.db2.gz QNZITXHBWNWTDK-GFCCVEGCSA-N 2 1 347.322 3.101 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Br)s2)CCCO1 ZINC000277931596 455712381 /nfs/dbraw/zinc/71/23/81/455712381.db2.gz QNZITXHBWNWTDK-GFCCVEGCSA-N 2 1 347.322 3.101 20 0 EGADMP C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248587630 455720855 /nfs/dbraw/zinc/72/08/55/455720855.db2.gz QJULDSSKUXSHBD-BDXSIMOUSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248587630 455720860 /nfs/dbraw/zinc/72/08/60/455720860.db2.gz QJULDSSKUXSHBD-BDXSIMOUSA-N 2 1 335.536 3.019 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268901815 455724969 /nfs/dbraw/zinc/72/49/69/455724969.db2.gz WTEQSWWVZUOEOA-CQSZACIVSA-N 2 1 341.459 3.216 20 0 EGADMP C[C@@H]([NH2+]Cc1cnn(CC(F)F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000292744320 455745952 /nfs/dbraw/zinc/74/59/52/455745952.db2.gz QUKJJWLQQRMPGY-CRAIPNDOSA-N 2 1 348.441 3.148 20 0 EGADMP CC(C)N1CC[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000252498284 455814132 /nfs/dbraw/zinc/81/41/32/455814132.db2.gz QXJSNWSYLYFASM-SOAGJPPSSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000278354505 455826378 /nfs/dbraw/zinc/82/63/78/455826378.db2.gz AZZDZEWQZFUVNI-MSOLQXFVSA-N 2 1 342.487 3.024 20 0 EGADMP CCC[NH+]1CCC(NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000186878478 455846855 /nfs/dbraw/zinc/84/68/55/455846855.db2.gz MBSZCRXELZAQRL-OAQYLSRUSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000285705782 455899836 /nfs/dbraw/zinc/89/98/36/455899836.db2.gz PHGURUUZJPXIRP-HZPDHXFCSA-N 2 1 345.487 3.323 20 0 EGADMP CCn1nc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c2ccccc21 ZINC000261604932 455911244 /nfs/dbraw/zinc/91/12/44/455911244.db2.gz AXHIUJNOQBIDQH-MJGOQNOKSA-N 2 1 334.467 3.231 20 0 EGADMP COc1c(O)cccc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000272330472 455915631 /nfs/dbraw/zinc/91/56/31/455915631.db2.gz WJMOEOXFGRNZBH-HNNXBMFYSA-N 2 1 327.428 3.038 20 0 EGADMP COc1c(O)cccc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000272330472 455915632 /nfs/dbraw/zinc/91/56/32/455915632.db2.gz WJMOEOXFGRNZBH-HNNXBMFYSA-N 2 1 327.428 3.038 20 0 EGADMP C[C@H]1COCC[C@@H]1Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000195104920 455922318 /nfs/dbraw/zinc/92/23/18/455922318.db2.gz MUKKSINCLXJTQJ-JXFKEZNVSA-N 2 1 331.504 3.302 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cn3cc(Cl)ccc3n2)C[C@H]1c1ccccc1 ZINC000261778560 455946665 /nfs/dbraw/zinc/94/66/65/455946665.db2.gz PIBGROLBZOUOOQ-QAPCUYQASA-N 2 1 340.858 3.162 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cn3cc(Cl)ccc3n2)C[C@H]1c1ccccc1 ZINC000261778560 455946673 /nfs/dbraw/zinc/94/66/73/455946673.db2.gz PIBGROLBZOUOOQ-QAPCUYQASA-N 2 1 340.858 3.162 20 0 EGADMP CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000262022045 455986597 /nfs/dbraw/zinc/98/65/97/455986597.db2.gz WGTJXDKTYIMMQF-IHPCNDPISA-N 2 1 336.483 3.409 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)CCC2)c1 ZINC000262173138 456007631 /nfs/dbraw/zinc/00/76/31/456007631.db2.gz VLNFATSTGCAWQB-AEFFLSMTSA-N 2 1 332.488 3.051 20 0 EGADMP CC(C)(CCO)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272656997 456028543 /nfs/dbraw/zinc/02/85/43/456028543.db2.gz GWYZKKJMHQPLKI-HSALFYBXSA-N 2 1 330.516 3.285 20 0 EGADMP COC(=O)c1cccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1Cl ZINC000296838015 456049394 /nfs/dbraw/zinc/04/93/94/456049394.db2.gz XAINYBURYOTEDS-GOSISDBHSA-N 2 1 336.863 3.044 20 0 EGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2c(Cl)cnn2C)CC1 ZINC000188359333 456050545 /nfs/dbraw/zinc/05/05/45/456050545.db2.gz XJEUNWMRWBQNKE-UHFFFAOYSA-N 2 1 326.916 3.408 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000272809649 456075386 /nfs/dbraw/zinc/07/53/86/456075386.db2.gz CFFPPEXAUGLZGE-IBGZPJMESA-N 2 1 329.488 3.212 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@H](O)c1c(F)cccc1F ZINC000272814591 456078405 /nfs/dbraw/zinc/07/84/05/456078405.db2.gz BGGBIQBTNZOAFB-AEFFLSMTSA-N 2 1 326.431 3.239 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000271048452 456111056 /nfs/dbraw/zinc/11/10/56/456111056.db2.gz TYVRMCBBSBELDB-UHFFFAOYSA-N 2 1 342.487 3.390 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000271048452 456111061 /nfs/dbraw/zinc/11/10/61/456111061.db2.gz TYVRMCBBSBELDB-UHFFFAOYSA-N 2 1 342.487 3.390 20 0 EGADMP Cc1[nH+]ccn1CCN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272933521 456116709 /nfs/dbraw/zinc/11/67/09/456116709.db2.gz KGBOSPRNDQKMIS-MRXNPFEDSA-N 2 1 339.361 3.284 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000263359964 456132424 /nfs/dbraw/zinc/13/24/24/456132424.db2.gz TVYGCQKGTJODKR-WMZOPIPTSA-N 2 1 331.504 3.093 20 0 EGADMP CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000297295710 456176668 /nfs/dbraw/zinc/17/66/68/456176668.db2.gz LZCZYXMIXIUGGG-MRXNPFEDSA-N 2 1 342.487 3.227 20 0 EGADMP CC1(C)CC([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC(C)(C)[NH2+]1 ZINC000189002773 456195759 /nfs/dbraw/zinc/19/57/59/456195759.db2.gz ZPSXFZMWLMEMBO-UHFFFAOYSA-N 2 1 344.478 3.469 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@](C)(C[NH3+])CC(C)C)cc1)C(C)C ZINC000236923974 456202297 /nfs/dbraw/zinc/20/22/97/456202297.db2.gz MEAHRCJNMSQVIM-FQEVSTJZSA-N 2 1 333.520 3.410 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(F)nc3)CC2)cs1 ZINC000189090047 456222924 /nfs/dbraw/zinc/22/29/24/456222924.db2.gz ZHMMGKVOKRCLGC-UHFFFAOYSA-N 2 1 348.491 3.241 20 0 EGADMP Cc1cn2ccc(NC(=O)[C@@H](C)[N@@H+]3CCc4ccccc4C3)cc2n1 ZINC000620649699 460719607 /nfs/dbraw/zinc/71/96/07/460719607.db2.gz ANWNQMSVTXCWOI-OAHLLOKOSA-N 2 1 334.423 3.028 20 0 EGADMP Cc1cn2ccc(NC(=O)[C@@H](C)[N@H+]3CCc4ccccc4C3)cc2n1 ZINC000620649699 460719614 /nfs/dbraw/zinc/71/96/14/460719614.db2.gz ANWNQMSVTXCWOI-OAHLLOKOSA-N 2 1 334.423 3.028 20 0 EGADMP Cc1cc(-c2noc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)n2)ccc1F ZINC000333582715 456236815 /nfs/dbraw/zinc/23/68/15/456236815.db2.gz ODGXHLHMTHPHFL-CQSZACIVSA-N 2 1 344.434 3.148 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccn(-c3ccccc3F)n2)C[C@@H]1n1ccnc1 ZINC000189208242 456255263 /nfs/dbraw/zinc/25/52/63/456255263.db2.gz UTJKNIKCCOLVML-KXBFYZLASA-N 2 1 339.418 3.291 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccn(-c3ccccc3F)n2)C[C@@H]1n1ccnc1 ZINC000189208242 456255270 /nfs/dbraw/zinc/25/52/70/456255270.db2.gz UTJKNIKCCOLVML-KXBFYZLASA-N 2 1 339.418 3.291 20 0 EGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cccnc3Cl)CC2)C[C@H](C)O1 ZINC000263920732 456265740 /nfs/dbraw/zinc/26/57/40/456265740.db2.gz UNCNALCCPDUHLG-GJZGRUSLSA-N 2 1 337.895 3.056 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc4c(c3)COC(C)(C)O4)C2)CC1 ZINC000290290612 456280974 /nfs/dbraw/zinc/28/09/74/456280974.db2.gz AJOBHPZSXUNWSJ-SFHVURJKSA-N 2 1 344.499 3.495 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1NCc1ncc(C[NH+](C)C)s1 ZINC000352765429 456287763 /nfs/dbraw/zinc/28/77/63/456287763.db2.gz KKJPTPWQRNCFSF-NVXWUHKLSA-N 2 1 338.565 3.195 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297757343 456288482 /nfs/dbraw/zinc/28/84/82/456288482.db2.gz USRKIOYZZZUMDH-GOSISDBHSA-N 3 1 330.520 3.008 20 0 EGADMP CC[C@H]1Oc2cc([C@@H](C)[NH2+]C3CC[NH+](C4CC4)CC3)ccc2NC1=O ZINC000297766792 456290406 /nfs/dbraw/zinc/29/04/06/456290406.db2.gz VIHREOJKSHSHCX-FZKQIMNGSA-N 2 1 343.471 3.074 20 0 EGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000297792927 456295877 /nfs/dbraw/zinc/29/58/77/456295877.db2.gz NGYBNIKMCVBTER-CQSZACIVSA-N 2 1 332.517 3.355 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)C[C@H]1c1ccccc1 ZINC000340180242 456295982 /nfs/dbraw/zinc/29/59/82/456295982.db2.gz JFADEQGBFUKGTJ-MOPGFXCFSA-N 2 1 338.451 3.383 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)C[C@H]1c1ccccc1 ZINC000340180242 456295986 /nfs/dbraw/zinc/29/59/86/456295986.db2.gz JFADEQGBFUKGTJ-MOPGFXCFSA-N 2 1 338.451 3.383 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)NC2CCCCC2)C[C@H]1c1ccccc1 ZINC000340192080 456303442 /nfs/dbraw/zinc/30/34/42/456303442.db2.gz WXMRTRVLCNSGKR-UXHICEINSA-N 2 1 343.515 3.251 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)NC2CCCCC2)C[C@H]1c1ccccc1 ZINC000340192080 456303450 /nfs/dbraw/zinc/30/34/50/456303450.db2.gz WXMRTRVLCNSGKR-UXHICEINSA-N 2 1 343.515 3.251 20 0 EGADMP Cc1ccc2[nH+]ccc(N3CCC([N@@H+]4CCO[C@H](C)C4)CC3)c2c1 ZINC000302178968 456308621 /nfs/dbraw/zinc/30/86/21/456308621.db2.gz YLMNBFDWQDABSU-MRXNPFEDSA-N 2 1 325.456 3.233 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc[nH+]cc1C(N)=O ZINC000302228246 456323163 /nfs/dbraw/zinc/32/31/63/456323163.db2.gz QTEAEHWDIRSPRC-OAHLLOKOSA-N 2 1 338.455 3.167 20 0 EGADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290421594 456323402 /nfs/dbraw/zinc/32/34/02/456323402.db2.gz KUAKJASFIUTSQT-HNNXBMFYSA-N 2 1 346.906 3.390 20 0 EGADMP O[C@@]1(C[NH2+][C@@H]2CCCC23CCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000340260563 456347086 /nfs/dbraw/zinc/34/70/86/456347086.db2.gz SRQRKARGMMKOAC-TZIWHRDSSA-N 2 1 328.500 3.326 20 0 EGADMP O[C@@]1(C[NH2+][C@@H]2CCCC23CCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000340260563 456347091 /nfs/dbraw/zinc/34/70/91/456347091.db2.gz SRQRKARGMMKOAC-TZIWHRDSSA-N 2 1 328.500 3.326 20 0 EGADMP Cc1[nH+]c2ccccc2c(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1C ZINC000302482779 456347982 /nfs/dbraw/zinc/34/79/82/456347982.db2.gz HBJWLAOAEVBRMO-AWEZNQCLSA-N 2 1 327.472 3.133 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)CC1 ZINC000337421536 456352048 /nfs/dbraw/zinc/35/20/48/456352048.db2.gz QDZNUJXKXIWFAP-OAHLLOKOSA-N 2 1 335.458 3.065 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H](Nc3cc[nH+]c(C)c3)C2)cc(OC)c1 ZINC000302586828 456363618 /nfs/dbraw/zinc/36/36/18/456363618.db2.gz UXIQXTILUFVHOU-KRWDZBQOSA-N 2 1 327.428 3.094 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccccc3F)C2)CC1 ZINC000290561680 456364674 /nfs/dbraw/zinc/36/46/74/456364674.db2.gz SKEBXBPYRBHBDN-MRXNPFEDSA-N 2 1 342.462 3.380 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000337561759 456382134 /nfs/dbraw/zinc/38/21/34/456382134.db2.gz NOPWBAWOBMHLMP-LPOKXYRGSA-N 2 1 335.536 3.019 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OC(F)F ZINC000290632569 456388285 /nfs/dbraw/zinc/38/82/85/456388285.db2.gz YBTXYQDNOCVGLT-LSDHHAIUSA-N 2 1 340.414 3.213 20 0 EGADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1OC(F)F ZINC000290632569 456388288 /nfs/dbraw/zinc/38/82/88/456388288.db2.gz YBTXYQDNOCVGLT-LSDHHAIUSA-N 2 1 340.414 3.213 20 0 EGADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1OC(F)F ZINC000290632569 456388291 /nfs/dbraw/zinc/38/82/91/456388291.db2.gz YBTXYQDNOCVGLT-LSDHHAIUSA-N 2 1 340.414 3.213 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cc(N2CCCC2)ncn1 ZINC000302862134 456418852 /nfs/dbraw/zinc/41/88/52/456418852.db2.gz VXAVOPLTMJSMQZ-AEFFLSMTSA-N 2 1 337.471 3.009 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)C[C@@H]1c1ccccc1 ZINC000340373058 456419745 /nfs/dbraw/zinc/41/97/45/456419745.db2.gz SQWULFPLXLQKEK-HUUCEWRRSA-N 2 1 348.384 3.329 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)C[C@@H]1c1ccccc1 ZINC000340373058 456419753 /nfs/dbraw/zinc/41/97/53/456419753.db2.gz SQWULFPLXLQKEK-HUUCEWRRSA-N 2 1 348.384 3.329 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1SC ZINC000298321214 456423645 /nfs/dbraw/zinc/42/36/45/456423645.db2.gz IKILXEKNEPWPLI-OTWHNJEPSA-N 2 1 334.529 3.150 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352967098 456426699 /nfs/dbraw/zinc/42/66/99/456426699.db2.gz KSVRLHOIGDXVRB-ZIBATOQPSA-N 2 1 344.425 3.196 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OCC(C)C ZINC000340414566 456447657 /nfs/dbraw/zinc/44/76/57/456447657.db2.gz IMDAFLGUHHWOEA-QZTJIDSGSA-N 2 1 332.488 3.446 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OCC(C)C ZINC000340414566 456447660 /nfs/dbraw/zinc/44/76/60/456447660.db2.gz IMDAFLGUHHWOEA-QZTJIDSGSA-N 2 1 332.488 3.446 20 0 EGADMP Fc1ccc(CN2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1F ZINC000298515084 456477670 /nfs/dbraw/zinc/47/76/70/456477670.db2.gz RCSZXWHTYLLVBD-UHFFFAOYSA-N 2 1 349.469 3.146 20 0 EGADMP CCOc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1OCC ZINC000298543630 456486424 /nfs/dbraw/zinc/48/64/24/456486424.db2.gz TXQGFDCUTVGMDH-UHFFFAOYSA-N 2 1 332.488 3.243 20 0 EGADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000343256731 456487354 /nfs/dbraw/zinc/48/73/54/456487354.db2.gz PXAYVWRVNNNWGM-GHTZIAJQSA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@H+]1C[C@H](C)[C@H](NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000343256731 456487362 /nfs/dbraw/zinc/48/73/62/456487362.db2.gz PXAYVWRVNNNWGM-GHTZIAJQSA-N 2 1 329.532 3.348 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1-c1ccnn1C ZINC000353126971 456508615 /nfs/dbraw/zinc/50/86/15/456508615.db2.gz NWWMGYDMFDPPSR-SFHVURJKSA-N 2 1 326.488 3.360 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1-c1ccnn1C ZINC000353126971 456508620 /nfs/dbraw/zinc/50/86/20/456508620.db2.gz NWWMGYDMFDPPSR-SFHVURJKSA-N 2 1 326.488 3.360 20 0 EGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000276560251 456515156 /nfs/dbraw/zinc/51/51/56/456515156.db2.gz GEVXBZDPLQAFPP-ZCNNSNEGSA-N 2 1 328.500 3.182 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000276560251 456515165 /nfs/dbraw/zinc/51/51/65/456515165.db2.gz GEVXBZDPLQAFPP-ZCNNSNEGSA-N 2 1 328.500 3.182 20 0 EGADMP COCCOC[C@@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000340538283 456520122 /nfs/dbraw/zinc/52/01/22/456520122.db2.gz WFGCFODLTYAMEZ-QHGAOEGBSA-N 2 1 334.504 3.071 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH+]1CCCC[C@H]1C)c1ccccc1 ZINC000340586149 456549487 /nfs/dbraw/zinc/54/94/87/456549487.db2.gz KIPCLKOIRNPTQE-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000340586149 456549490 /nfs/dbraw/zinc/54/94/90/456549490.db2.gz KIPCLKOIRNPTQE-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000340586149 456549494 /nfs/dbraw/zinc/54/94/94/456549494.db2.gz KIPCLKOIRNPTQE-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CCO)C2CCOCC2)cc1 ZINC000348232263 456554088 /nfs/dbraw/zinc/55/40/88/456554088.db2.gz QRGHFEHTQMVHQE-MGPUTAFESA-N 2 1 343.471 3.009 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CCO)C2CCOCC2)cc1 ZINC000348232265 456554863 /nfs/dbraw/zinc/55/48/63/456554863.db2.gz QRGHFEHTQMVHQE-QRWLVFNGSA-N 2 1 343.471 3.009 20 0 EGADMP CCCC[C@@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353201690 456555817 /nfs/dbraw/zinc/55/58/17/456555817.db2.gz HRYLXGXCKHACIS-CTNGQTDRSA-N 2 1 343.515 3.019 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000282632366 456575372 /nfs/dbraw/zinc/57/53/72/456575372.db2.gz JTSSISOTXZFNAB-FQEVSTJZSA-N 2 1 333.495 3.379 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(N2CCCNC2=O)cc1 ZINC000291342419 456612806 /nfs/dbraw/zinc/61/28/06/456612806.db2.gz WYGXILLJMUVYLV-WMZOPIPTSA-N 2 1 344.503 3.131 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+](C)C)cc1 ZINC000348328794 456626163 /nfs/dbraw/zinc/62/61/63/456626163.db2.gz QDGLKHYNVDDPFH-SBHAEUEKSA-N 2 1 345.531 3.293 20 0 EGADMP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000348328794 456626174 /nfs/dbraw/zinc/62/61/74/456626174.db2.gz QDGLKHYNVDDPFH-SBHAEUEKSA-N 2 1 345.531 3.293 20 0 EGADMP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000348328794 456626184 /nfs/dbraw/zinc/62/61/84/456626184.db2.gz QDGLKHYNVDDPFH-SBHAEUEKSA-N 2 1 345.531 3.293 20 0 EGADMP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@]1(C)CC[NH2+]C1 ZINC000340712837 456642912 /nfs/dbraw/zinc/64/29/12/456642912.db2.gz UAEBMTNGGFPXNP-LJQANCHMSA-N 2 1 330.451 3.080 20 0 EGADMP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@@]1(C)CC[NH2+]C1 ZINC000340712836 456643113 /nfs/dbraw/zinc/64/31/13/456643113.db2.gz UAEBMTNGGFPXNP-IBGZPJMESA-N 2 1 330.451 3.080 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)ccc1OC(F)F ZINC000322428441 456647776 /nfs/dbraw/zinc/64/77/76/456647776.db2.gz NWJWMNRLHHLFBD-KBPBESRZSA-N 2 1 328.403 3.246 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)ccc1OC(F)F ZINC000322428441 456647783 /nfs/dbraw/zinc/64/77/83/456647783.db2.gz NWJWMNRLHHLFBD-KBPBESRZSA-N 2 1 328.403 3.246 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCC(C)CC2)cc1)C1CC1 ZINC000338001144 456648769 /nfs/dbraw/zinc/64/87/69/456648769.db2.gz ZTHABVPKABAZIC-UHFFFAOYSA-N 2 1 343.515 3.133 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc2nsnc21 ZINC000277068573 456669718 /nfs/dbraw/zinc/66/97/18/456669718.db2.gz DPCSEKYHJCRAIX-UHFFFAOYSA-N 2 1 329.473 3.362 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc2nsnc21 ZINC000277068573 456669726 /nfs/dbraw/zinc/66/97/26/456669726.db2.gz DPCSEKYHJCRAIX-UHFFFAOYSA-N 2 1 329.473 3.362 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000282952074 456673132 /nfs/dbraw/zinc/67/31/32/456673132.db2.gz HEWAMLPHYFPWNJ-XLIONFOSSA-N 2 1 326.488 3.082 20 0 EGADMP Cc1ccccc1-c1noc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000324966695 456677045 /nfs/dbraw/zinc/67/70/45/456677045.db2.gz MDTRMRMOIBEMIE-QGZVFWFLSA-N 2 1 326.444 3.009 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000353472403 456700639 /nfs/dbraw/zinc/70/06/39/456700639.db2.gz UDCVSGPXXKDRRA-SNRMKQJTSA-N 2 1 329.488 3.388 20 0 EGADMP C[C@H]([NH2+][C@H]1COc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000328215127 456711396 /nfs/dbraw/zinc/71/13/96/456711396.db2.gz JSFYFQYHGSHHAB-IOMROCGXSA-N 2 1 336.479 3.490 20 0 EGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000338253092 456732809 /nfs/dbraw/zinc/73/28/09/456732809.db2.gz FOPQZSUNFGJQOV-UHFFFAOYSA-N 2 1 338.879 3.416 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000338253092 456732815 /nfs/dbraw/zinc/73/28/15/456732815.db2.gz FOPQZSUNFGJQOV-UHFFFAOYSA-N 2 1 338.879 3.416 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)cc1 ZINC000299578334 456733213 /nfs/dbraw/zinc/73/32/13/456733213.db2.gz CGPAPSQBLKIFBP-UXHICEINSA-N 2 1 343.515 3.275 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000299578334 456733222 /nfs/dbraw/zinc/73/32/22/456733222.db2.gz CGPAPSQBLKIFBP-UXHICEINSA-N 2 1 343.515 3.275 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000299578334 456733227 /nfs/dbraw/zinc/73/32/27/456733227.db2.gz CGPAPSQBLKIFBP-UXHICEINSA-N 2 1 343.515 3.275 20 0 EGADMP CCN(C(=O)C[N@H+](C)CCCN(C)Cc1ccco1)C1CCCCC1 ZINC000353554384 456756635 /nfs/dbraw/zinc/75/66/35/456756635.db2.gz JXLDMWSITJJLJP-UHFFFAOYSA-N 2 1 349.519 3.215 20 0 EGADMP CCN(C(=O)C[N@@H+](C)CCCN(C)Cc1ccco1)C1CCCCC1 ZINC000353554384 456756639 /nfs/dbraw/zinc/75/66/39/456756639.db2.gz JXLDMWSITJJLJP-UHFFFAOYSA-N 2 1 349.519 3.215 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000291969390 456814486 /nfs/dbraw/zinc/81/44/86/456814486.db2.gz RYXNYDIPMPWCJQ-BHYGNILZSA-N 2 1 342.405 3.155 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000291969390 456814491 /nfs/dbraw/zinc/81/44/91/456814491.db2.gz RYXNYDIPMPWCJQ-BHYGNILZSA-N 2 1 342.405 3.155 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000292076964 456847850 /nfs/dbraw/zinc/84/78/50/456847850.db2.gz LSNTXTGPKJCPIU-FXAWDEMLSA-N 2 1 343.515 3.209 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292076972 456849325 /nfs/dbraw/zinc/84/93/25/456849325.db2.gz LSNTXTGPKJCPIU-XLIONFOSSA-N 2 1 343.515 3.209 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000338686114 456852012 /nfs/dbraw/zinc/85/20/12/456852012.db2.gz DGPPTMZOSYJNID-SMOSDQRPSA-N 2 1 342.483 3.385 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000338776700 456857118 /nfs/dbraw/zinc/85/71/18/456857118.db2.gz LTSMCRHECVYPQW-SFUIVIKGSA-N 2 1 330.472 3.241 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000338776700 456857125 /nfs/dbraw/zinc/85/71/25/456857125.db2.gz LTSMCRHECVYPQW-SFUIVIKGSA-N 2 1 330.472 3.241 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000292108773 456857078 /nfs/dbraw/zinc/85/70/78/456857078.db2.gz PEVFJXIDGONNMR-RLLQIKCJSA-N 2 1 343.515 3.030 20 0 EGADMP CCc1nc(C(C)C)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000339045554 456913709 /nfs/dbraw/zinc/91/37/09/456913709.db2.gz UXEDCOZMXBYEDN-IOMROCGXSA-N 2 1 345.531 3.451 20 0 EGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000339045554 456913712 /nfs/dbraw/zinc/91/37/12/456913712.db2.gz UXEDCOZMXBYEDN-IOMROCGXSA-N 2 1 345.531 3.451 20 0 EGADMP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000349279027 456929592 /nfs/dbraw/zinc/92/95/92/456929592.db2.gz NNHGBKWIUHRQOY-GPMSIDNRSA-N 2 1 331.504 3.003 20 0 EGADMP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000349279027 456929594 /nfs/dbraw/zinc/92/95/94/456929594.db2.gz NNHGBKWIUHRQOY-GPMSIDNRSA-N 2 1 331.504 3.003 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000353986160 456990007 /nfs/dbraw/zinc/99/00/07/456990007.db2.gz HGCWZTGONNGAAP-HKUYNNGSSA-N 2 1 333.520 3.152 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000353986160 456990010 /nfs/dbraw/zinc/99/00/10/456990010.db2.gz HGCWZTGONNGAAP-HKUYNNGSSA-N 2 1 333.520 3.152 20 0 EGADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)cc2)n1 ZINC000341907379 456995231 /nfs/dbraw/zinc/99/52/31/456995231.db2.gz ZYDUNVWEYXWIGK-HZUJVAHNSA-N 2 1 340.515 3.350 20 0 EGADMP COCC[C@@H](Cc1ccco1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000346324813 457033990 /nfs/dbraw/zinc/03/39/90/457033990.db2.gz JVVXXIKZTLGADT-FQEVSTJZSA-N 2 1 342.483 3.481 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000354078288 457047819 /nfs/dbraw/zinc/04/78/19/457047819.db2.gz PQPRPJOPXVNKLF-IBGZPJMESA-N 2 1 345.462 3.307 20 0 EGADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCC1 ZINC000359102439 457055289 /nfs/dbraw/zinc/05/52/89/457055289.db2.gz GKUJTQLDPGLQQO-SFHLNBCPSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCC1 ZINC000359102439 457055296 /nfs/dbraw/zinc/05/52/96/457055296.db2.gz GKUJTQLDPGLQQO-SFHLNBCPSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCC1 ZINC000359102439 457055302 /nfs/dbraw/zinc/05/53/02/457055302.db2.gz GKUJTQLDPGLQQO-SFHLNBCPSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCC1 ZINC000359102439 457055306 /nfs/dbraw/zinc/05/53/06/457055306.db2.gz GKUJTQLDPGLQQO-SFHLNBCPSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCC1 ZINC000359102436 457055618 /nfs/dbraw/zinc/05/56/18/457055618.db2.gz GKUJTQLDPGLQQO-SBHAEUEKSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCC1 ZINC000359102436 457055625 /nfs/dbraw/zinc/05/56/25/457055625.db2.gz GKUJTQLDPGLQQO-SBHAEUEKSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCC1 ZINC000359102436 457055627 /nfs/dbraw/zinc/05/56/27/457055627.db2.gz GKUJTQLDPGLQQO-SBHAEUEKSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCC1 ZINC000359102436 457055634 /nfs/dbraw/zinc/05/56/34/457055634.db2.gz GKUJTQLDPGLQQO-SBHAEUEKSA-N 3 1 329.532 3.361 20 0 EGADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000359260999 457070625 /nfs/dbraw/zinc/07/06/25/457070625.db2.gz JDPCKLZZLBIZFI-GOSISDBHSA-N 2 1 329.444 3.447 20 0 EGADMP CC(C)C[C@H]([NH3+])c1noc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000339397647 457093349 /nfs/dbraw/zinc/09/33/49/457093349.db2.gz RUFKEYQSNIZPDY-SJORKVTESA-N 2 1 328.460 3.495 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3coc(-c4ccc(F)c(F)c4)n3)C[C@@H]21 ZINC000342115586 457116605 /nfs/dbraw/zinc/11/66/05/457116605.db2.gz XUYSDJQDEQNRDB-HACGYAERSA-N 2 1 333.382 3.179 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4ccc(F)c(F)c4)n3)C[C@@H]21 ZINC000342115586 457116610 /nfs/dbraw/zinc/11/66/10/457116610.db2.gz XUYSDJQDEQNRDB-HACGYAERSA-N 2 1 333.382 3.179 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC000354225749 457142730 /nfs/dbraw/zinc/14/27/30/457142730.db2.gz YLUPRWXLRNSYPL-PBHICJAKSA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC000354225749 457142736 /nfs/dbraw/zinc/14/27/36/457142736.db2.gz YLUPRWXLRNSYPL-PBHICJAKSA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC000354225749 457142741 /nfs/dbraw/zinc/14/27/41/457142741.db2.gz YLUPRWXLRNSYPL-PBHICJAKSA-N 2 1 337.895 3.473 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C[C@H]21 ZINC000346843097 457183001 /nfs/dbraw/zinc/18/30/01/457183001.db2.gz WYWAMRRZRALKSH-IAOVAPTHSA-N 2 1 330.863 3.289 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)sc1Br ZINC000346852797 457185123 /nfs/dbraw/zinc/18/51/23/457185123.db2.gz LHFCNPRTFMEXKQ-UHTWSYAYSA-N 2 1 329.307 3.378 20 0 EGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)sc1Br ZINC000346852797 457185127 /nfs/dbraw/zinc/18/51/27/457185127.db2.gz LHFCNPRTFMEXKQ-UHTWSYAYSA-N 2 1 329.307 3.378 20 0 EGADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000356906518 457211531 /nfs/dbraw/zinc/21/15/31/457211531.db2.gz VZRGXIFKDKKBEO-NCYKPQTJSA-N 2 1 342.527 3.284 20 0 EGADMP CC1CCC([NH+]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)CC2)CC1 ZINC000360030384 457213566 /nfs/dbraw/zinc/21/35/66/457213566.db2.gz GHWXDYJPUJRNCF-LYBXBRPPSA-N 2 1 343.515 3.012 20 0 EGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000360041295 457219235 /nfs/dbraw/zinc/21/92/35/457219235.db2.gz PDWMYNABVSVUJZ-JQHSSLGASA-N 2 1 329.488 3.237 20 0 EGADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)c1cccc(Br)c1 ZINC000360041724 457219254 /nfs/dbraw/zinc/21/92/54/457219254.db2.gz ZGPZKTRLQSLJDS-INIZCTEOSA-N 2 1 343.309 3.458 20 0 EGADMP C[C@@H]1CSC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000331767223 457247150 /nfs/dbraw/zinc/24/71/50/457247150.db2.gz HANAIXIMUDZWJP-ZTFGCOKTSA-N 2 1 347.528 3.275 20 0 EGADMP CN(Cc1ccc(Cl)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000347206822 457288558 /nfs/dbraw/zinc/28/85/58/457288558.db2.gz RVMZGIUHHBNQRF-HXUWFJFHSA-N 2 1 344.886 3.409 20 0 EGADMP C[N@H+](Cc1ccc(Cl)cc1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000347206822 457288564 /nfs/dbraw/zinc/28/85/64/457288564.db2.gz RVMZGIUHHBNQRF-HXUWFJFHSA-N 2 1 344.886 3.409 20 0 EGADMP C[N@@H+](Cc1ccc(Cl)cc1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000347206822 457288574 /nfs/dbraw/zinc/28/85/74/457288574.db2.gz RVMZGIUHHBNQRF-HXUWFJFHSA-N 2 1 344.886 3.409 20 0 EGADMP COc1ccccc1-c1ccc([C@H](C)[N@@H+](C)CCOCC[NH3+])cc1 ZINC000357086056 457314642 /nfs/dbraw/zinc/31/46/42/457314642.db2.gz RIQMIWPOVSJKKE-INIZCTEOSA-N 2 1 328.456 3.330 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000351848687 457320541 /nfs/dbraw/zinc/32/05/41/457320541.db2.gz DVAVQKQRPOONRM-GOEBONIOSA-N 2 1 345.874 3.483 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000351848687 457320548 /nfs/dbraw/zinc/32/05/48/457320548.db2.gz DVAVQKQRPOONRM-GOEBONIOSA-N 2 1 345.874 3.483 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000347381381 457390834 /nfs/dbraw/zinc/39/08/34/457390834.db2.gz ROJBRDNFCQAFGJ-LJQANCHMSA-N 2 1 333.520 3.305 20 0 EGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000387657842 457431406 /nfs/dbraw/zinc/43/14/06/457431406.db2.gz MJCQUAZOHSGBSE-MOPGFXCFSA-N 2 1 345.531 3.039 20 0 EGADMP c1ccc(COc2cccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2)nc1 ZINC000352540272 457451412 /nfs/dbraw/zinc/45/14/12/457451412.db2.gz IZZUAEWBVHOFQV-NRFANRHFSA-N 2 1 337.467 3.236 20 0 EGADMP c1ccc(COc2cccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2)nc1 ZINC000352540272 457451421 /nfs/dbraw/zinc/45/14/21/457451421.db2.gz IZZUAEWBVHOFQV-NRFANRHFSA-N 2 1 337.467 3.236 20 0 EGADMP Oc1cc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)cc(C(F)(F)F)c1 ZINC000356124529 457467540 /nfs/dbraw/zinc/46/75/40/457467540.db2.gz JJIAYXPSKVEVDO-INIZCTEOSA-N 2 1 338.329 3.459 20 0 EGADMP Oc1cc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)cc(C(F)(F)F)c1 ZINC000356124529 457467546 /nfs/dbraw/zinc/46/75/46/457467546.db2.gz JJIAYXPSKVEVDO-INIZCTEOSA-N 2 1 338.329 3.459 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCCNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000369990520 457490290 /nfs/dbraw/zinc/49/02/90/457490290.db2.gz FYNMSRWVRCHVPD-WMZOPIPTSA-N 2 1 344.503 3.136 20 0 EGADMP COC(=O)[C@H](CC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000425423054 457547481 /nfs/dbraw/zinc/54/74/81/457547481.db2.gz NUCWVUFTLHJWSS-RTBURBONSA-N 2 1 341.455 3.003 20 0 EGADMP COC(=O)[C@H](CC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000425423054 457547489 /nfs/dbraw/zinc/54/74/89/457547489.db2.gz NUCWVUFTLHJWSS-RTBURBONSA-N 2 1 341.455 3.003 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000357470395 457548832 /nfs/dbraw/zinc/54/88/32/457548832.db2.gz HNQJDMCXZXVZTI-OAHLLOKOSA-N 2 1 331.504 3.429 20 0 EGADMP COc1cccc(CNC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000374281208 457565013 /nfs/dbraw/zinc/56/50/13/457565013.db2.gz WXEGCRSUSPQVJI-HXUWFJFHSA-N 2 1 325.456 3.092 20 0 EGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccsc3)CC2)CC1 ZINC000374285831 457569192 /nfs/dbraw/zinc/56/91/92/457569192.db2.gz VNGCKRDNWDEBJU-UHFFFAOYSA-N 2 1 335.561 3.376 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)s1 ZINC000352740383 457573489 /nfs/dbraw/zinc/57/34/89/457573489.db2.gz WMALUEVYQXNOJE-WBVHZDCISA-N 2 1 331.485 3.215 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccc3c(c2)C[NH2+]C3)c1 ZINC000347650605 457574653 /nfs/dbraw/zinc/57/46/53/457574653.db2.gz KDDKTEIUTBQIPG-UHFFFAOYSA-N 2 1 337.467 3.060 20 0 EGADMP C[N@H+]1CCCC12CCN(C[C@@H](O)c1ccc(F)cc1Cl)CC2 ZINC000364360798 457577731 /nfs/dbraw/zinc/57/77/31/457577731.db2.gz JARPYNQSHXDTMI-MRXNPFEDSA-N 2 1 326.843 3.073 20 0 EGADMP CCCCCC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364412133 457595856 /nfs/dbraw/zinc/59/58/56/457595856.db2.gz ZLEVDQFLUBZFIX-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000370526853 457665696 /nfs/dbraw/zinc/66/56/96/457665696.db2.gz GHIVZZOVZOJSIU-OALUTQOASA-N 2 1 349.519 3.298 20 0 EGADMP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000370724430 457706588 /nfs/dbraw/zinc/70/65/88/457706588.db2.gz KUBNEEJQXYAUGS-QGZVFWFLSA-N 2 1 340.471 3.109 20 0 EGADMP CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000370724430 457706592 /nfs/dbraw/zinc/70/65/92/457706592.db2.gz KUBNEEJQXYAUGS-QGZVFWFLSA-N 2 1 340.471 3.109 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(SC)c2)[C@@H](C)C1 ZINC000357838610 457707164 /nfs/dbraw/zinc/70/71/64/457707164.db2.gz FZLHARDRWAKXTO-RDJZCZTQSA-N 2 1 337.533 3.030 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(SC)c2)[C@@H](C)C1 ZINC000357838610 457707168 /nfs/dbraw/zinc/70/71/68/457707168.db2.gz FZLHARDRWAKXTO-RDJZCZTQSA-N 2 1 337.533 3.030 20 0 EGADMP CC1CCC(Oc2cc(C[NH2+][C@H]3CC[N@H+](C)C[C@H]3C)ccn2)CC1 ZINC000361396785 457717735 /nfs/dbraw/zinc/71/77/35/457717735.db2.gz IBWMRSBQFLDAEA-KXWSQRDISA-N 2 1 331.504 3.469 20 0 EGADMP CC1CCC(Oc2cc(C[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)ccn2)CC1 ZINC000361396785 457717740 /nfs/dbraw/zinc/71/77/40/457717740.db2.gz IBWMRSBQFLDAEA-KXWSQRDISA-N 2 1 331.504 3.469 20 0 EGADMP CC[C@@]1(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC[NH2+]C1 ZINC000370842140 457727842 /nfs/dbraw/zinc/72/78/42/457727842.db2.gz DTWPAUDJQJFBAX-DYESRHJHSA-N 2 1 343.515 3.067 20 0 EGADMP CCn1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1=O ZINC000361431378 457730307 /nfs/dbraw/zinc/73/03/07/457730307.db2.gz CQEVZLXOHCUOKT-PXNSSMCTSA-N 2 1 339.483 3.011 20 0 EGADMP CCn1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1=O ZINC000361431378 457730310 /nfs/dbraw/zinc/73/03/10/457730310.db2.gz CQEVZLXOHCUOKT-PXNSSMCTSA-N 2 1 339.483 3.011 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000358026013 457743847 /nfs/dbraw/zinc/74/38/47/457743847.db2.gz UAZNQMCNLRRRCY-KSZLIROESA-N 2 1 346.515 3.201 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](C[NH3+])C(C)C)c1 ZINC000433132603 457762713 /nfs/dbraw/zinc/76/27/13/457762713.db2.gz GGHLNCXYRPXRDH-KRWDZBQOSA-N 2 1 328.460 3.224 20 0 EGADMP COc1c[nH+]ccc1N1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000361531179 457774515 /nfs/dbraw/zinc/77/45/15/457774515.db2.gz PHSJKYNSCNJZGF-QGZVFWFLSA-N 2 1 345.487 3.094 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000358085698 457777007 /nfs/dbraw/zinc/77/70/07/457777007.db2.gz NUNRMYDDOSTYBM-FUHIMQAGSA-N 3 1 332.536 3.460 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCCC[C@H]1C ZINC000361542133 457782735 /nfs/dbraw/zinc/78/27/35/457782735.db2.gz WQHPXWQGIYWLHN-KURKYZTESA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000361542133 457782743 /nfs/dbraw/zinc/78/27/43/457782743.db2.gz WQHPXWQGIYWLHN-KURKYZTESA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000361542133 457782748 /nfs/dbraw/zinc/78/27/48/457782748.db2.gz WQHPXWQGIYWLHN-KURKYZTESA-N 2 1 335.536 3.020 20 0 EGADMP CCOCCO[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411392426 457872580 /nfs/dbraw/zinc/87/25/80/457872580.db2.gz CSGULBSELKXQNL-NRFANRHFSA-N 2 1 346.515 3.300 20 0 EGADMP Cc1nnc([C@@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000411419137 457881788 /nfs/dbraw/zinc/88/17/88/457881788.db2.gz SJQMNDVFDSARRD-MRXNPFEDSA-N 2 1 339.487 3.162 20 0 EGADMP Cc1nnc([C@@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000411419137 457881796 /nfs/dbraw/zinc/88/17/96/457881796.db2.gz SJQMNDVFDSARRD-MRXNPFEDSA-N 2 1 339.487 3.162 20 0 EGADMP C[N@@H+](CCCn1ccnc1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411427042 457884766 /nfs/dbraw/zinc/88/47/66/457884766.db2.gz QAMMLCRHYGCSCX-UHFFFAOYSA-N 2 1 326.488 3.391 20 0 EGADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H](O)C(F)(F)F ZINC000411443010 457889652 /nfs/dbraw/zinc/88/96/52/457889652.db2.gz XERRHXVQDBAHNE-MRXNPFEDSA-N 2 1 330.394 3.028 20 0 EGADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H](O)C(F)(F)F ZINC000411443010 457889658 /nfs/dbraw/zinc/88/96/58/457889658.db2.gz XERRHXVQDBAHNE-MRXNPFEDSA-N 2 1 330.394 3.028 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1C ZINC000411620663 457930438 /nfs/dbraw/zinc/93/04/38/457930438.db2.gz QGGRHRKEXJCFEY-QFBILLFUSA-N 2 1 330.472 3.056 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCO[C@@H]2CCCCO2)CC1)CC1CC1 ZINC000444677108 457935069 /nfs/dbraw/zinc/93/50/69/457935069.db2.gz VMGYGXOATMLYIT-HXUWFJFHSA-N 2 1 338.536 3.364 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC000434055875 457939073 /nfs/dbraw/zinc/93/90/73/457939073.db2.gz AQTWOIBMXDYUKA-UXHICEINSA-N 2 1 343.515 3.203 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2c(C)noc2C)[C@@H](C)C1 ZINC000358341379 457945722 /nfs/dbraw/zinc/94/57/22/457945722.db2.gz NGPGXFABZGONAA-VKJFTORMSA-N 2 1 337.508 3.122 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc2c1OC(C)(C)C2 ZINC000371470500 457949156 /nfs/dbraw/zinc/94/91/56/457949156.db2.gz LXHZNCCKXBJRBC-QRVBRYPASA-N 2 1 344.499 3.084 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc2c1OC(C)(C)C2 ZINC000371470500 457949162 /nfs/dbraw/zinc/94/91/62/457949162.db2.gz LXHZNCCKXBJRBC-QRVBRYPASA-N 2 1 344.499 3.084 20 0 EGADMP c1ncc(CC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000411749190 457970934 /nfs/dbraw/zinc/97/09/34/457970934.db2.gz UYQRGZBJACCRIY-ZWKOTPCHSA-N 2 1 327.497 3.140 20 0 EGADMP c1ncc(CC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000411749190 457970942 /nfs/dbraw/zinc/97/09/42/457970942.db2.gz UYQRGZBJACCRIY-ZWKOTPCHSA-N 2 1 327.497 3.140 20 0 EGADMP c1ncc(CC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000411749190 457970948 /nfs/dbraw/zinc/97/09/48/457970948.db2.gz UYQRGZBJACCRIY-ZWKOTPCHSA-N 2 1 327.497 3.140 20 0 EGADMP CC1(C)CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC[S@@]1=O ZINC000411797092 457980692 /nfs/dbraw/zinc/98/06/92/457980692.db2.gz SZGBLDUQRMTOME-DEOSSOPVSA-N 2 1 348.556 3.406 20 0 EGADMP CC1(C)CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC[S@@]1=O ZINC000411797092 457980698 /nfs/dbraw/zinc/98/06/98/457980698.db2.gz SZGBLDUQRMTOME-DEOSSOPVSA-N 2 1 348.556 3.406 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412003873 458041564 /nfs/dbraw/zinc/04/15/64/458041564.db2.gz BGNPWHMIWFFRTD-IBGZPJMESA-N 2 1 327.472 3.465 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358517112 458051807 /nfs/dbraw/zinc/05/18/07/458051807.db2.gz OXIRRDSSYINGFH-CQSZACIVSA-N 2 1 335.879 3.051 20 0 EGADMP Cc1ccc2c(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cc(=O)oc2c1 ZINC000375757192 458053392 /nfs/dbraw/zinc/05/33/92/458053392.db2.gz YIXGZTVPHGQUBT-SJPCQFCGSA-N 2 1 326.440 3.158 20 0 EGADMP Cc1ccc2c(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cc(=O)oc2c1 ZINC000375757192 458053411 /nfs/dbraw/zinc/05/34/11/458053411.db2.gz YIXGZTVPHGQUBT-SJPCQFCGSA-N 2 1 326.440 3.158 20 0 EGADMP Cc1ccc2c(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc(=O)oc2c1 ZINC000375757192 458053414 /nfs/dbraw/zinc/05/34/14/458053414.db2.gz YIXGZTVPHGQUBT-SJPCQFCGSA-N 2 1 326.440 3.158 20 0 EGADMP Cc1ccc2c(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc(=O)oc2c1 ZINC000375757192 458053418 /nfs/dbraw/zinc/05/34/18/458053418.db2.gz YIXGZTVPHGQUBT-SJPCQFCGSA-N 2 1 326.440 3.158 20 0 EGADMP CCN1CCC([N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000445531842 458060882 /nfs/dbraw/zinc/06/08/82/458060882.db2.gz LXFRHBUONGQHKA-UHFFFAOYSA-N 2 1 335.923 3.332 20 0 EGADMP CCN1CCC([N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000445531842 458060884 /nfs/dbraw/zinc/06/08/84/458060884.db2.gz LXFRHBUONGQHKA-UHFFFAOYSA-N 2 1 335.923 3.332 20 0 EGADMP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428045937 458071584 /nfs/dbraw/zinc/07/15/84/458071584.db2.gz SEOSADKMXCCXSP-ICSRJNTNSA-N 2 1 335.451 3.123 20 0 EGADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428045937 458071586 /nfs/dbraw/zinc/07/15/86/458071586.db2.gz SEOSADKMXCCXSP-ICSRJNTNSA-N 2 1 335.451 3.123 20 0 EGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369196892 458120345 /nfs/dbraw/zinc/12/03/45/458120345.db2.gz HDHVDGGAPPCYCQ-COXVUDFISA-N 2 1 342.405 3.089 20 0 EGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369196892 458120351 /nfs/dbraw/zinc/12/03/51/458120351.db2.gz HDHVDGGAPPCYCQ-COXVUDFISA-N 2 1 342.405 3.089 20 0 EGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000435368805 458121025 /nfs/dbraw/zinc/12/10/25/458121025.db2.gz JDUNXXHGORWVOE-KRWDZBQOSA-N 2 1 347.466 3.105 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc2ccccc2nc1N1CCCCC1 ZINC000435375217 458124580 /nfs/dbraw/zinc/12/45/80/458124580.db2.gz UCEVOBCVCGTPPT-IAGOWNOFSA-N 2 1 338.499 3.394 20 0 EGADMP CC(C)O[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000428366809 458127766 /nfs/dbraw/zinc/12/77/66/458127766.db2.gz ZSJWIZZIVPSMRL-PLACYPQZSA-N 2 1 346.515 3.336 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000435378778 458129017 /nfs/dbraw/zinc/12/90/17/458129017.db2.gz GJTZNQHSBZMBSA-CZUORRHYSA-N 2 1 346.906 3.371 20 0 EGADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)C1CC[NH2+]CC1 ZINC000435389231 458134674 /nfs/dbraw/zinc/13/46/74/458134674.db2.gz LKDVUJDIKLVYSZ-UHFFFAOYSA-N 2 1 347.466 3.118 20 0 EGADMP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)C1CC[NH2+]CC1 ZINC000435389231 458134680 /nfs/dbraw/zinc/13/46/80/458134680.db2.gz LKDVUJDIKLVYSZ-UHFFFAOYSA-N 2 1 347.466 3.118 20 0 EGADMP CCCCN(CC)C(=O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000362428820 458169899 /nfs/dbraw/zinc/16/98/99/458169899.db2.gz DMMKQIVFEVFVMJ-HXUWFJFHSA-N 2 1 345.531 3.089 20 0 EGADMP Fc1ccccc1OCC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435615673 458171561 /nfs/dbraw/zinc/17/15/61/458171561.db2.gz JTPMCCKGZIBWDC-SFHVURJKSA-N 2 1 343.446 3.244 20 0 EGADMP Fc1ccccc1OCC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435615673 458171568 /nfs/dbraw/zinc/17/15/68/458171568.db2.gz JTPMCCKGZIBWDC-SFHVURJKSA-N 2 1 343.446 3.244 20 0 EGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412407980 458196583 /nfs/dbraw/zinc/19/65/83/458196583.db2.gz GLQMQTADFRFUJO-FQEVSTJZSA-N 2 1 343.515 3.227 20 0 EGADMP COc1ccc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000358790484 458218386 /nfs/dbraw/zinc/21/83/86/458218386.db2.gz KZXFNWYFBHPNEK-LFUKPOHLSA-N 2 1 339.483 3.336 20 0 EGADMP COc1ccc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000358790484 458218390 /nfs/dbraw/zinc/21/83/90/458218390.db2.gz KZXFNWYFBHPNEK-LFUKPOHLSA-N 2 1 339.483 3.336 20 0 EGADMP COCCC1(C[NH2+]CC2([NH+]3CCCC3)CCOCC2)CCCCC1 ZINC000436246795 458275329 /nfs/dbraw/zinc/27/53/29/458275329.db2.gz MHYFDYYXVBRVQA-UHFFFAOYSA-N 2 1 338.536 3.208 20 0 EGADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372329404 458278649 /nfs/dbraw/zinc/27/86/49/458278649.db2.gz BVOSWYMZAZGYFF-GJYPPUQNSA-N 2 1 335.923 3.359 20 0 EGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372329404 458278655 /nfs/dbraw/zinc/27/86/55/458278655.db2.gz BVOSWYMZAZGYFF-GJYPPUQNSA-N 2 1 335.923 3.359 20 0 EGADMP COCC[N@H+](C)CCC[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436276137 458281409 /nfs/dbraw/zinc/28/14/09/458281409.db2.gz RTAYHHVPJQASLX-UHFFFAOYSA-N 2 1 338.801 3.417 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436276137 458281418 /nfs/dbraw/zinc/28/14/18/458281418.db2.gz RTAYHHVPJQASLX-UHFFFAOYSA-N 2 1 338.801 3.417 20 0 EGADMP C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372359297 458289330 /nfs/dbraw/zinc/28/93/30/458289330.db2.gz UQFHIFVMPFXRMR-YUXAGFNASA-N 2 1 338.495 3.090 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)CCC2 ZINC000447547882 458309383 /nfs/dbraw/zinc/30/93/83/458309383.db2.gz DZZXLVZMJIPOCP-HOCLYGCPSA-N 2 1 348.487 3.464 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(n2)CCCC3)[C@H](C)C1 ZINC000447581446 458316560 /nfs/dbraw/zinc/31/65/60/458316560.db2.gz SYOLKJPUFLSTEV-XLIONFOSSA-N 2 1 345.531 3.187 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(n2)CCCC3)[C@H](C)C1 ZINC000447581446 458316567 /nfs/dbraw/zinc/31/65/67/458316567.db2.gz SYOLKJPUFLSTEV-XLIONFOSSA-N 2 1 345.531 3.187 20 0 EGADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000459370401 458347099 /nfs/dbraw/zinc/34/70/99/458347099.db2.gz IGFBCKCUXAPEBJ-ZWKOTPCHSA-N 2 1 341.543 3.337 20 0 EGADMP C[C@H]([NH2+]Cc1cnc(C2CC2)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459471092 458382391 /nfs/dbraw/zinc/38/23/91/458382391.db2.gz FVCGFYWSRNMLGO-JXFKEZNVSA-N 2 1 336.483 3.354 20 0 EGADMP C[C@H]([NH2+]Cc1cnc(C2CC2)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459471092 458382396 /nfs/dbraw/zinc/38/23/96/458382396.db2.gz FVCGFYWSRNMLGO-JXFKEZNVSA-N 2 1 336.483 3.354 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)CCN1C1CC[NH+](C)CC1 ZINC000459553982 458409737 /nfs/dbraw/zinc/40/97/37/458409737.db2.gz BRZZSGMJHRAZEN-KRWDZBQOSA-N 2 1 327.516 3.164 20 0 EGADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000423517112 458449236 /nfs/dbraw/zinc/44/92/36/458449236.db2.gz ULOIRBDTNZTWDT-XNTOXWQXSA-N 3 1 327.516 3.147 20 0 EGADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000423517112 458449241 /nfs/dbraw/zinc/44/92/41/458449241.db2.gz ULOIRBDTNZTWDT-XNTOXWQXSA-N 2 1 327.516 3.147 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423531930 458453430 /nfs/dbraw/zinc/45/34/30/458453430.db2.gz QPBKXWCFOFXUPA-HLRQEUIKSA-N 2 1 335.495 3.167 20 0 EGADMP [NH3+]Cc1ccc(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)cc1 ZINC000423556776 458456697 /nfs/dbraw/zinc/45/66/97/458456697.db2.gz ZDGWWCLGXKCMHX-DENIHFKCSA-N 2 1 349.478 3.386 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000459729366 458459051 /nfs/dbraw/zinc/45/90/51/458459051.db2.gz JDOXAOHRRTYUGQ-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1C[NH3+] ZINC000430570580 458464216 /nfs/dbraw/zinc/46/42/16/458464216.db2.gz ZBOCQJFYYRLYQF-SWLSCSKDSA-N 2 1 343.393 3.093 20 0 EGADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1C[NH3+] ZINC000430570580 458464221 /nfs/dbraw/zinc/46/42/21/458464221.db2.gz ZBOCQJFYYRLYQF-SWLSCSKDSA-N 2 1 343.393 3.093 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000430581254 458464888 /nfs/dbraw/zinc/46/48/88/458464888.db2.gz GTFBCSUWKGQYRS-FTRWYGJKSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000430581254 458464892 /nfs/dbraw/zinc/46/48/92/458464892.db2.gz GTFBCSUWKGQYRS-FTRWYGJKSA-N 2 1 339.483 3.076 20 0 EGADMP OC1(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CCCC1 ZINC000437575380 458468958 /nfs/dbraw/zinc/46/89/58/458468958.db2.gz ASMRDOMXIWAVSM-HXUWFJFHSA-N 2 1 328.500 3.280 20 0 EGADMP OC1(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCCC1 ZINC000437575380 458468961 /nfs/dbraw/zinc/46/89/61/458468961.db2.gz ASMRDOMXIWAVSM-HXUWFJFHSA-N 2 1 328.500 3.280 20 0 EGADMP OC1(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCCC1 ZINC000437575380 458468966 /nfs/dbraw/zinc/46/89/66/458468966.db2.gz ASMRDOMXIWAVSM-HXUWFJFHSA-N 2 1 328.500 3.280 20 0 EGADMP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000423694113 458472587 /nfs/dbraw/zinc/47/25/87/458472587.db2.gz KKEDMNGRYSLBFD-NVXWUHKLSA-N 2 1 346.519 3.127 20 0 EGADMP C[C@@H](C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000437848317 458501819 /nfs/dbraw/zinc/50/18/19/458501819.db2.gz TUSBPRKIMFZDAW-MJQMVNBJSA-N 2 1 335.536 3.161 20 0 EGADMP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000437848317 458501821 /nfs/dbraw/zinc/50/18/21/458501821.db2.gz TUSBPRKIMFZDAW-MJQMVNBJSA-N 2 1 335.536 3.161 20 0 EGADMP C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000437848317 458501822 /nfs/dbraw/zinc/50/18/22/458501822.db2.gz TUSBPRKIMFZDAW-MJQMVNBJSA-N 2 1 335.536 3.161 20 0 EGADMP CCN(C(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)c1cccc2ccccc21 ZINC000430967074 458511723 /nfs/dbraw/zinc/51/17/23/458511723.db2.gz QMBGNVXJNYBMJB-SJLPKXTDSA-N 2 1 339.483 3.252 20 0 EGADMP CCN(C(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)c1cccc2ccccc21 ZINC000430967074 458511726 /nfs/dbraw/zinc/51/17/26/458511726.db2.gz QMBGNVXJNYBMJB-SJLPKXTDSA-N 2 1 339.483 3.252 20 0 EGADMP Cc1nc(CC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000377768628 458518290 /nfs/dbraw/zinc/51/82/90/458518290.db2.gz RTICMFSCCQFQGB-OALUTQOASA-N 2 1 341.524 3.448 20 0 EGADMP Cc1nc(CC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000377768628 458518296 /nfs/dbraw/zinc/51/82/96/458518296.db2.gz RTICMFSCCQFQGB-OALUTQOASA-N 2 1 341.524 3.448 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]3CCC[C@H]32)cc1 ZINC000453117526 458518977 /nfs/dbraw/zinc/51/89/77/458518977.db2.gz JJYZJWHODOODJB-ZWMUSQMVSA-N 2 1 326.484 3.339 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)Cc2cccc(F)c2)C[C@@H]1c1ccccc1 ZINC000453219987 458521469 /nfs/dbraw/zinc/52/14/69/458521469.db2.gz NNKCIOVATRYVBP-PCCBWWKXSA-N 2 1 342.458 3.154 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)Cc2cccc(F)c2)C[C@@H]1c1ccccc1 ZINC000453219987 458521472 /nfs/dbraw/zinc/52/14/72/458521472.db2.gz NNKCIOVATRYVBP-PCCBWWKXSA-N 2 1 342.458 3.154 20 0 EGADMP CCC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1CCc2ccccc2C1 ZINC000431077552 458526226 /nfs/dbraw/zinc/52/62/26/458526226.db2.gz PBVVJGYRTWXMNQ-MRXNPFEDSA-N 2 1 328.460 3.033 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000438094486 458530185 /nfs/dbraw/zinc/53/01/85/458530185.db2.gz FENFLNJILPJWIP-INIZCTEOSA-N 2 1 328.859 3.412 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000438094486 458530188 /nfs/dbraw/zinc/53/01/88/458530188.db2.gz FENFLNJILPJWIP-INIZCTEOSA-N 2 1 328.859 3.412 20 0 EGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000373602675 458547651 /nfs/dbraw/zinc/54/76/51/458547651.db2.gz GDSLVQSVYQXRTK-VNQPRFMTSA-N 2 1 342.405 3.089 20 0 EGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000373602675 458547654 /nfs/dbraw/zinc/54/76/54/458547654.db2.gz GDSLVQSVYQXRTK-VNQPRFMTSA-N 2 1 342.405 3.089 20 0 EGADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000493737877 458550641 /nfs/dbraw/zinc/55/06/41/458550641.db2.gz SPVDAGSHVBOQLH-CEMPCABHSA-N 2 1 341.543 3.215 20 0 EGADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000493737877 458550643 /nfs/dbraw/zinc/55/06/43/458550643.db2.gz SPVDAGSHVBOQLH-CEMPCABHSA-N 2 1 341.543 3.215 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000493737877 458550650 /nfs/dbraw/zinc/55/06/50/458550650.db2.gz SPVDAGSHVBOQLH-CEMPCABHSA-N 2 1 341.543 3.215 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000493737877 458550652 /nfs/dbraw/zinc/55/06/52/458550652.db2.gz SPVDAGSHVBOQLH-CEMPCABHSA-N 2 1 341.543 3.215 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000493737877 458550656 /nfs/dbraw/zinc/55/06/56/458550656.db2.gz SPVDAGSHVBOQLH-CEMPCABHSA-N 2 1 341.543 3.215 20 0 EGADMP CC1CC[NH+](CCN2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000493868716 458592209 /nfs/dbraw/zinc/59/22/09/458592209.db2.gz AAKAFMZJWMHWLA-FQEVSTJZSA-N 2 1 329.532 3.315 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438546583 458594439 /nfs/dbraw/zinc/59/44/39/458594439.db2.gz PVYRVCCLEUVSIY-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000438546583 458594447 /nfs/dbraw/zinc/59/44/47/458594447.db2.gz PVYRVCCLEUVSIY-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000438546583 458594451 /nfs/dbraw/zinc/59/44/51/458594451.db2.gz PVYRVCCLEUVSIY-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000462116581 458594733 /nfs/dbraw/zinc/59/47/33/458594733.db2.gz OSTQNDFBXHMQRU-VXKWHMMOSA-N 2 1 338.495 3.234 20 0 EGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000462116581 458594740 /nfs/dbraw/zinc/59/47/40/458594740.db2.gz OSTQNDFBXHMQRU-VXKWHMMOSA-N 2 1 338.495 3.234 20 0 EGADMP C[NH2+]CCC1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000469857513 458597387 /nfs/dbraw/zinc/59/73/87/458597387.db2.gz ZJRVQVZBUQXBCV-UHFFFAOYSA-N 3 1 331.548 3.466 20 0 EGADMP C[NH2+]CCC1CC[NH+](CC(C)(C)CN(C)Cc2ccccc2)CC1 ZINC000469857513 458597391 /nfs/dbraw/zinc/59/73/91/458597391.db2.gz ZJRVQVZBUQXBCV-UHFFFAOYSA-N 2 1 331.548 3.466 20 0 EGADMP CC(C)(CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000431657317 458601870 /nfs/dbraw/zinc/60/18/70/458601870.db2.gz BLEJKTYLPRPDRD-GOSISDBHSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@H]1CC2(C[N@H+]1CCOc1ccc(F)cc1Cl)CC[NH2+]CC2 ZINC000424284209 458604332 /nfs/dbraw/zinc/60/43/32/458604332.db2.gz DCDAUVNMSKIUOL-ZDUSSCGKSA-N 2 1 326.843 3.322 20 0 EGADMP Cc1ccc(NC(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(Cl)c1 ZINC000424295029 458606534 /nfs/dbraw/zinc/60/65/34/458606534.db2.gz QNIREOUPMLIVPL-CQSZACIVSA-N 2 1 335.879 3.051 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(Cl)c1 ZINC000424295029 458606542 /nfs/dbraw/zinc/60/65/42/458606542.db2.gz QNIREOUPMLIVPL-CQSZACIVSA-N 2 1 335.879 3.051 20 0 EGADMP C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000493988817 458611172 /nfs/dbraw/zinc/61/11/72/458611172.db2.gz LLBTZIAZSWIFKX-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1CC[C@@H]1CCCC[N@@H+]1C ZINC000493988817 458611179 /nfs/dbraw/zinc/61/11/79/458611179.db2.gz LLBTZIAZSWIFKX-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000494000257 458614565 /nfs/dbraw/zinc/61/45/65/458614565.db2.gz PNZPCBAKNSHHOT-IHEQNBGGSA-N 2 1 343.515 3.027 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000494000257 458614570 /nfs/dbraw/zinc/61/45/70/458614570.db2.gz PNZPCBAKNSHHOT-IHEQNBGGSA-N 2 1 343.515 3.027 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000494000257 458614575 /nfs/dbraw/zinc/61/45/75/458614575.db2.gz PNZPCBAKNSHHOT-IHEQNBGGSA-N 2 1 343.515 3.027 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000431746007 458617223 /nfs/dbraw/zinc/61/72/23/458617223.db2.gz STMGCBAHXHIUFU-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000431746007 458617227 /nfs/dbraw/zinc/61/72/27/458617227.db2.gz STMGCBAHXHIUFU-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000431746007 458617233 /nfs/dbraw/zinc/61/72/33/458617233.db2.gz STMGCBAHXHIUFU-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP COc1ccc(OC(F)F)c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424386464 458631100 /nfs/dbraw/zinc/63/11/00/458631100.db2.gz XCJNWUNBAAIXAQ-CYBMUJFWSA-N 2 1 340.414 3.261 20 0 EGADMP Cc1ccc(C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c2ccc(C)cc2)cc1 ZINC000546572902 458637924 /nfs/dbraw/zinc/63/79/24/458637924.db2.gz PVDIHTSFCYKPMJ-YADHBBJMSA-N 2 1 338.495 3.243 20 0 EGADMP Cc1ccc(C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)c2ccc(C)cc2)cc1 ZINC000546572902 458637934 /nfs/dbraw/zinc/63/79/34/458637934.db2.gz PVDIHTSFCYKPMJ-YADHBBJMSA-N 2 1 338.495 3.243 20 0 EGADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000546574355 458639041 /nfs/dbraw/zinc/63/90/41/458639041.db2.gz OWKOEPZNAVGEEE-WOJBJXKFSA-N 2 1 344.886 3.280 20 0 EGADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000546574355 458639050 /nfs/dbraw/zinc/63/90/50/458639050.db2.gz OWKOEPZNAVGEEE-WOJBJXKFSA-N 2 1 344.886 3.280 20 0 EGADMP C/C(=C\c1ccccc1)C[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000494232928 458644109 /nfs/dbraw/zinc/64/41/09/458644109.db2.gz DRJAAIGAJKNGOV-NBVRZTHBSA-N 2 1 343.515 3.011 20 0 EGADMP C/C(=C\c1ccccc1)C[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000494232928 458644113 /nfs/dbraw/zinc/64/41/13/458644113.db2.gz DRJAAIGAJKNGOV-NBVRZTHBSA-N 2 1 343.515 3.011 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000424440299 458645192 /nfs/dbraw/zinc/64/51/92/458645192.db2.gz UHASWGGMKUVBLB-INIZCTEOSA-N 2 1 340.471 3.096 20 0 EGADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470979802 458671754 /nfs/dbraw/zinc/67/17/54/458671754.db2.gz PAQPROYINHMTCQ-HOCLYGCPSA-N 2 1 349.906 3.331 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000530216387 458719082 /nfs/dbraw/zinc/71/90/82/458719082.db2.gz BDBFAQDOCRSZEJ-NRSPTQNISA-N 2 1 342.458 3.058 20 0 EGADMP COc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2ccccc12 ZINC000432358688 458723743 /nfs/dbraw/zinc/72/37/43/458723743.db2.gz NFDXHBWDAVTJGT-QGZVFWFLSA-N 2 1 342.483 3.439 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000530231349 458725400 /nfs/dbraw/zinc/72/54/00/458725400.db2.gz POPFKLJBFUJCRH-KMFTYDHNSA-N 2 1 330.516 3.397 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CCCO1 ZINC000432369182 458726024 /nfs/dbraw/zinc/72/60/24/458726024.db2.gz UHTXJNAGYBJXNX-NRSPTQNISA-N 2 1 330.516 3.488 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CCCO1 ZINC000432369182 458726029 /nfs/dbraw/zinc/72/60/29/458726029.db2.gz UHTXJNAGYBJXNX-NRSPTQNISA-N 2 1 330.516 3.488 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CCCO1 ZINC000432369181 458726047 /nfs/dbraw/zinc/72/60/47/458726047.db2.gz UHTXJNAGYBJXNX-HMXCVIKNSA-N 2 1 330.516 3.488 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CCCO1 ZINC000432369181 458726055 /nfs/dbraw/zinc/72/60/55/458726055.db2.gz UHTXJNAGYBJXNX-HMXCVIKNSA-N 2 1 330.516 3.488 20 0 EGADMP C[NH+](C)C[C@H](O)C[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000432424522 458737687 /nfs/dbraw/zinc/73/76/87/458737687.db2.gz JESUCGDVJFBNBY-QWFMPGPPSA-N 2 1 344.421 3.244 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[NH+]2C)c1 ZINC000471962578 458756373 /nfs/dbraw/zinc/75/63/73/458756373.db2.gz DZKMBMHROCNJJF-LJQANCHMSA-N 2 1 331.504 3.019 20 0 EGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000471962578 458756378 /nfs/dbraw/zinc/75/63/78/458756378.db2.gz DZKMBMHROCNJJF-LJQANCHMSA-N 2 1 331.504 3.019 20 0 EGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000471962578 458756385 /nfs/dbraw/zinc/75/63/85/458756385.db2.gz DZKMBMHROCNJJF-LJQANCHMSA-N 2 1 331.504 3.019 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cnn1-c1cccc(Cl)c1 ZINC000530407261 458763322 /nfs/dbraw/zinc/76/33/22/458763322.db2.gz JBKJCRFGCBLYNX-CYBMUJFWSA-N 2 1 343.862 3.461 20 0 EGADMP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000439954836 458768206 /nfs/dbraw/zinc/76/82/06/458768206.db2.gz ADQFXMZHMQBQEA-IBGZPJMESA-N 2 1 335.536 3.166 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH+](C)Cc1ccccc1 ZINC000439956519 458769596 /nfs/dbraw/zinc/76/95/96/458769596.db2.gz MIFMPPWQXTTWDM-XLIONFOSSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000439956519 458769600 /nfs/dbraw/zinc/76/96/00/458769600.db2.gz MIFMPPWQXTTWDM-XLIONFOSSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000439956519 458769605 /nfs/dbraw/zinc/76/96/05/458769605.db2.gz MIFMPPWQXTTWDM-XLIONFOSSA-N 2 1 343.515 3.030 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495351698 458840245 /nfs/dbraw/zinc/84/02/45/458840245.db2.gz HHMIQEGHRHLKGZ-LSDHHAIUSA-N 2 1 327.513 3.094 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495351698 458840250 /nfs/dbraw/zinc/84/02/50/458840250.db2.gz HHMIQEGHRHLKGZ-LSDHHAIUSA-N 2 1 327.513 3.094 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495351698 458840255 /nfs/dbraw/zinc/84/02/55/458840255.db2.gz HHMIQEGHRHLKGZ-LSDHHAIUSA-N 2 1 327.513 3.094 20 0 EGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000518349114 458859281 /nfs/dbraw/zinc/85/92/81/458859281.db2.gz TVZXXSSSILUNGD-YJBOKZPZSA-N 2 1 347.484 3.121 20 0 EGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000518890077 458897482 /nfs/dbraw/zinc/89/74/82/458897482.db2.gz YMMHOVNCPZKABY-MJGOQNOKSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000518890077 458897483 /nfs/dbraw/zinc/89/74/83/458897483.db2.gz YMMHOVNCPZKABY-MJGOQNOKSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000518890078 458897718 /nfs/dbraw/zinc/89/77/18/458897718.db2.gz YMMHOVNCPZKABY-PKOBYXMFSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000518890078 458897722 /nfs/dbraw/zinc/89/77/22/458897722.db2.gz YMMHOVNCPZKABY-PKOBYXMFSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H]1C[C@@H](NCc2cccc(N3CCC3=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000441194678 458897989 /nfs/dbraw/zinc/89/79/89/458897989.db2.gz GIPVRFGEQVFIKF-FXAWDEMLSA-N 2 1 349.478 3.176 20 0 EGADMP C[C@H]1C[C@@H](NCc2cccc(N3CCC3=O)c2)C[N@H+]1Cc1ccccc1 ZINC000441194678 458897999 /nfs/dbraw/zinc/89/79/99/458897999.db2.gz GIPVRFGEQVFIKF-FXAWDEMLSA-N 2 1 349.478 3.176 20 0 EGADMP CCN(CC)C(=O)[C@@H](c1ccccc1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000441333099 458921581 /nfs/dbraw/zinc/92/15/81/458921581.db2.gz AAVBLEZVCWRLTE-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1C ZINC000441344378 458922490 /nfs/dbraw/zinc/92/24/90/458922490.db2.gz FAKNMAVKNDHVLD-UXHICEINSA-N 2 1 348.531 3.158 20 0 EGADMP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1C ZINC000441344378 458922497 /nfs/dbraw/zinc/92/24/97/458922497.db2.gz FAKNMAVKNDHVLD-UXHICEINSA-N 2 1 348.531 3.158 20 0 EGADMP Cc1ccc(C)c(OC[C@@H](O)C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1C ZINC000441344378 458922504 /nfs/dbraw/zinc/92/25/04/458922504.db2.gz FAKNMAVKNDHVLD-UXHICEINSA-N 2 1 348.531 3.158 20 0 EGADMP Cc1ccc(C)c(OC[C@@H](O)C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1C ZINC000441344378 458922511 /nfs/dbraw/zinc/92/25/11/458922511.db2.gz FAKNMAVKNDHVLD-UXHICEINSA-N 2 1 348.531 3.158 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@@H]3COc4ccccc4C3)C2)cc1 ZINC000556075664 458925763 /nfs/dbraw/zinc/92/57/63/458925763.db2.gz BVGTXNZEVJOSIC-FPOVZHCZSA-N 2 1 336.479 3.144 20 0 EGADMP CC[N@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000576834708 458932489 /nfs/dbraw/zinc/93/24/89/458932489.db2.gz PGVVLUHYNLVKAX-MRXNPFEDSA-N 2 1 344.421 3.377 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000576834708 458932493 /nfs/dbraw/zinc/93/24/93/458932493.db2.gz PGVVLUHYNLVKAX-MRXNPFEDSA-N 2 1 344.421 3.377 20 0 EGADMP CC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000576864179 458937482 /nfs/dbraw/zinc/93/74/82/458937482.db2.gz PYDYTHMSFQMBJZ-NQIIRXRSSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000576864179 458937489 /nfs/dbraw/zinc/93/74/89/458937489.db2.gz PYDYTHMSFQMBJZ-NQIIRXRSSA-N 2 1 329.532 3.219 20 0 EGADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC000519437137 458949033 /nfs/dbraw/zinc/94/90/33/458949033.db2.gz ZVBPMBMDYJNNEN-LJQANCHMSA-N 2 1 330.859 3.163 20 0 EGADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC000519437137 458949037 /nfs/dbraw/zinc/94/90/37/458949037.db2.gz ZVBPMBMDYJNNEN-LJQANCHMSA-N 2 1 330.859 3.163 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000519529870 458956971 /nfs/dbraw/zinc/95/69/71/458956971.db2.gz YHGCMLDZXHPUKI-NVXWUHKLSA-N 2 1 344.503 3.181 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000531683403 458958625 /nfs/dbraw/zinc/95/86/25/458958625.db2.gz JKCYNFAFJNZALF-OXQOHEQNSA-N 2 1 328.456 3.426 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000495879756 458990343 /nfs/dbraw/zinc/99/03/43/458990343.db2.gz WJMDGWMZICUPKC-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C(C)(C)C)cc1 ZINC000467867375 458990299 /nfs/dbraw/zinc/99/02/99/458990299.db2.gz OIWGSMYQGSFTLX-FUHWJXTLSA-N 2 1 345.531 3.222 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)c1 ZINC000531958370 459008233 /nfs/dbraw/zinc/00/82/33/459008233.db2.gz SGKBIYFJBQPBBC-UHFFFAOYSA-N 2 1 344.421 3.464 20 0 EGADMP C[C@H]1CO[C@@H](c2ccccc2Cl)CN1CCCc1c[nH+]cn1C ZINC000519831596 459013068 /nfs/dbraw/zinc/01/30/68/459013068.db2.gz CXLRMBNFACMWMB-KBXCAEBGSA-N 2 1 333.863 3.468 20 0 EGADMP C[C@](O)(C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000556870156 459025235 /nfs/dbraw/zinc/02/52/35/459025235.db2.gz DTVZKTBYCPHRAE-ZDFPQIBNSA-N 2 1 342.527 3.428 20 0 EGADMP OC1CC(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000556876612 459025388 /nfs/dbraw/zinc/02/53/88/459025388.db2.gz CTYNAVUBSYGLLS-PYCJISIWSA-N 2 1 342.527 3.428 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000442762046 459033330 /nfs/dbraw/zinc/03/33/30/459033330.db2.gz DSPXYIBSAPKKAF-JTDSTZFVSA-N 2 1 348.450 3.495 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000442762046 459033334 /nfs/dbraw/zinc/03/33/34/459033334.db2.gz DSPXYIBSAPKKAF-JTDSTZFVSA-N 2 1 348.450 3.495 20 0 EGADMP CC[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C1CCOCC1 ZINC000532224930 459049405 /nfs/dbraw/zinc/04/94/05/459049405.db2.gz RUICCLKDEPCCFR-IBGZPJMESA-N 2 1 349.519 3.298 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000442918534 459060239 /nfs/dbraw/zinc/06/02/39/459060239.db2.gz HETXZYIQBUYZNI-ZDUSSCGKSA-N 2 1 345.468 3.100 20 0 EGADMP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000557316709 459063850 /nfs/dbraw/zinc/06/38/50/459063850.db2.gz HCPGPDZOQAVYAB-GOSISDBHSA-N 2 1 339.568 3.323 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058288 459079492 /nfs/dbraw/zinc/07/94/92/459079492.db2.gz JWTXZNFDJFGAHC-CHWSQXEVSA-N 2 1 343.393 3.093 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000443064975 459082869 /nfs/dbraw/zinc/08/28/69/459082869.db2.gz ZEUXGOXJZSZXLM-HNNXBMFYSA-N 2 1 342.462 3.061 20 0 EGADMP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443064794 459083219 /nfs/dbraw/zinc/08/32/19/459083219.db2.gz YWSVGHUYFYXCMN-ZFWWWQNUSA-N 2 1 348.878 3.436 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065170 459083331 /nfs/dbraw/zinc/08/33/31/459083331.db2.gz ZMHVPGPHFXGGCS-JKSUJKDBSA-N 2 1 331.504 3.199 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000532480948 459096810 /nfs/dbraw/zinc/09/68/10/459096810.db2.gz HWUMHKUSIVOGMB-CVEARBPZSA-N 2 1 329.488 3.342 20 0 EGADMP CCCc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c2ccccc2[nH+]1 ZINC000557697234 459100781 /nfs/dbraw/zinc/10/07/81/459100781.db2.gz OCLKPEJAMOEVCQ-SJLPKXTDSA-N 2 1 339.483 3.487 20 0 EGADMP C[C@@H](Nc1cc[nH+]cc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000521130906 459121219 /nfs/dbraw/zinc/12/12/19/459121219.db2.gz WGQBRXCRMCZNSY-MLGOLLRUSA-N 2 1 334.261 3.369 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000577948026 459122186 /nfs/dbraw/zinc/12/21/86/459122186.db2.gz LKTCUEORHWJRKC-NQIIRXRSSA-N 2 1 326.484 3.065 20 0 EGADMP CCc1cnc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000578196463 459160223 /nfs/dbraw/zinc/16/02/23/459160223.db2.gz JDUXLWACJQHAQH-IEBWSBKVSA-N 2 1 327.472 3.409 20 0 EGADMP CCc1cnc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000578196463 459160229 /nfs/dbraw/zinc/16/02/29/459160229.db2.gz JDUXLWACJQHAQH-IEBWSBKVSA-N 2 1 327.472 3.409 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(OC)CCCCC2)[C@@H](C)C1 ZINC000480694389 459213467 /nfs/dbraw/zinc/21/34/67/459213467.db2.gz PALOPKSFYKVVSQ-ROUUACIJSA-N 2 1 326.525 3.062 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000480724540 459215698 /nfs/dbraw/zinc/21/56/98/459215698.db2.gz VTIAUQCHFMNVMG-YCPHGPKFSA-N 2 1 341.421 3.214 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000480724540 459215702 /nfs/dbraw/zinc/21/57/02/459215702.db2.gz VTIAUQCHFMNVMG-YCPHGPKFSA-N 2 1 341.421 3.214 20 0 EGADMP COCC[N@H+](C)CCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000480769285 459217840 /nfs/dbraw/zinc/21/78/40/459217840.db2.gz ZJZRCUKMAUVUFQ-FQEVSTJZSA-N 2 1 330.447 3.473 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000480769285 459217846 /nfs/dbraw/zinc/21/78/46/459217846.db2.gz ZJZRCUKMAUVUFQ-FQEVSTJZSA-N 2 1 330.447 3.473 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC[N@@H+]1C ZINC000496530947 459229548 /nfs/dbraw/zinc/22/95/48/459229548.db2.gz UQIDAJXXEHOSPT-VQHPVUNQSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC[N@H+]1C ZINC000496530947 459229554 /nfs/dbraw/zinc/22/95/54/459229554.db2.gz UQIDAJXXEHOSPT-VQHPVUNQSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595063738 459233416 /nfs/dbraw/zinc/23/34/16/459233416.db2.gz XPBSTCDWDKBUHN-BEVPMPOOSA-N 2 1 348.556 3.176 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595063738 459233422 /nfs/dbraw/zinc/23/34/22/459233422.db2.gz XPBSTCDWDKBUHN-BEVPMPOOSA-N 2 1 348.556 3.176 20 0 EGADMP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CCC1 ZINC000533437678 459235270 /nfs/dbraw/zinc/23/52/70/459235270.db2.gz LWDUBXCCXABNLD-UHFFFAOYSA-N 2 1 347.528 3.048 20 0 EGADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C1CCCCC1 ZINC000568185848 459242159 /nfs/dbraw/zinc/24/21/59/459242159.db2.gz KIRBYJKKQMAGNV-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)c1ccc(C[NH+]2CCN(CC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000559321056 459251876 /nfs/dbraw/zinc/25/18/76/459251876.db2.gz SPQQITYTLAAQAP-OAQYLSRUSA-N 2 1 329.532 3.412 20 0 EGADMP CC(C)C(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C(C)C ZINC000560255863 459316781 /nfs/dbraw/zinc/31/67/81/459316781.db2.gz BTLDXJLATFGXFH-TZIWHRDSSA-N 2 1 332.532 3.387 20 0 EGADMP CC(C)C(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C(C)C ZINC000560255863 459316788 /nfs/dbraw/zinc/31/67/88/459316788.db2.gz BTLDXJLATFGXFH-TZIWHRDSSA-N 2 1 332.532 3.387 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000534347206 459319327 /nfs/dbraw/zinc/31/93/27/459319327.db2.gz ZMBRJUJSSMPSBK-UHFFFAOYSA-N 2 1 326.488 3.425 20 0 EGADMP CC(C)c1[nH+]c(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c2ccccn21 ZINC000568634239 459320909 /nfs/dbraw/zinc/32/09/09/459320909.db2.gz HCMCGYSUCYZBFK-WMZOPIPTSA-N 2 1 326.488 3.374 20 0 EGADMP CC[N@@H+](C)C[C@H](O)CN[C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000568764251 459340757 /nfs/dbraw/zinc/34/07/57/459340757.db2.gz OPTHYRSRBNPLFH-CXAGYDPISA-N 2 1 333.501 3.082 20 0 EGADMP CCN(C)C[C@H](O)C[NH2+][C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000568764251 459340762 /nfs/dbraw/zinc/34/07/62/459340762.db2.gz OPTHYRSRBNPLFH-CXAGYDPISA-N 2 1 333.501 3.082 20 0 EGADMP Cc1cc(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)cn2cc[nH+]c12 ZINC000560443584 459346343 /nfs/dbraw/zinc/34/63/43/459346343.db2.gz XVTLSTVYAMMLQW-OAHLLOKOSA-N 2 1 329.448 3.029 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000582373419 459356226 /nfs/dbraw/zinc/35/62/26/459356226.db2.gz SATRZUCLGFTBTD-HXUWFJFHSA-N 2 1 336.495 3.173 20 0 EGADMP COc1cccc(Oc2ncccc2C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000582534111 459381256 /nfs/dbraw/zinc/38/12/56/459381256.db2.gz NHVVDKRPFKEBHJ-INIZCTEOSA-N 2 1 327.428 3.114 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)CCc3ccccc3)C2)CC1 ZINC000525173133 459423772 /nfs/dbraw/zinc/42/37/72/459423772.db2.gz GYKCCVKFNKIKJU-TZIWHRDSSA-N 2 1 329.532 3.108 20 0 EGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000561291847 459440218 /nfs/dbraw/zinc/44/02/18/459440218.db2.gz HENQTXVFYQJHRX-RZUBCFFCSA-N 2 1 343.559 3.213 20 0 EGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cccc(N2CCOC2=O)c1 ZINC000497113430 459444881 /nfs/dbraw/zinc/44/48/81/459444881.db2.gz OLAYFLNBELVRED-KBXCAEBGSA-N 2 1 331.460 3.201 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000561396351 459449152 /nfs/dbraw/zinc/44/91/52/459449152.db2.gz HNABQVVNVZXLDI-ROUUACIJSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1OC ZINC000561396351 459449155 /nfs/dbraw/zinc/44/91/55/459449155.db2.gz HNABQVVNVZXLDI-ROUUACIJSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1OC ZINC000561396351 459449160 /nfs/dbraw/zinc/44/91/60/459449160.db2.gz HNABQVVNVZXLDI-ROUUACIJSA-N 2 1 332.488 3.400 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2CC[NH+](CC)CC2)cc1 ZINC000561485717 459457611 /nfs/dbraw/zinc/45/76/11/459457611.db2.gz FRIPVEFJBZXJKT-UHFFFAOYSA-N 2 1 345.531 3.380 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000569475226 459459381 /nfs/dbraw/zinc/45/93/81/459459381.db2.gz AIPYYRKLRLQAQY-INIZCTEOSA-N 2 1 335.467 3.030 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000497205073 459485249 /nfs/dbraw/zinc/48/52/49/459485249.db2.gz ZVGLPAZKXXXPHQ-ZWKOTPCHSA-N 2 1 347.503 3.358 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000497205073 459485253 /nfs/dbraw/zinc/48/52/53/459485253.db2.gz ZVGLPAZKXXXPHQ-ZWKOTPCHSA-N 2 1 347.503 3.358 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ccc1Cl ZINC000541886236 459505772 /nfs/dbraw/zinc/50/57/72/459505772.db2.gz UEBFRFCKGSESNL-SFHVURJKSA-N 2 1 335.923 3.249 20 0 EGADMP CC(C)c1nc2c([nH]1)C[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)CC2 ZINC000526001650 459529466 /nfs/dbraw/zinc/52/94/66/459529466.db2.gz UELYFNOALPQBQB-OAHLLOKOSA-N 2 1 346.519 3.019 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000562473738 459569065 /nfs/dbraw/zinc/56/90/65/459569065.db2.gz JNHJBDSNGZOEJR-VQTJNVASSA-N 2 1 329.532 3.385 20 0 EGADMP CC1=CC[C@H]([NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000572861926 459587693 /nfs/dbraw/zinc/58/76/93/459587693.db2.gz GSJGGKGAYQKDFZ-LEWJYISDSA-N 2 1 327.516 3.454 20 0 EGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000572929192 459595968 /nfs/dbraw/zinc/59/59/68/459595968.db2.gz SAYCZRKCMGXJFA-PJVZLEMVSA-N 2 1 332.536 3.402 20 0 EGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000572929192 459595969 /nfs/dbraw/zinc/59/59/69/459595969.db2.gz SAYCZRKCMGXJFA-PJVZLEMVSA-N 2 1 332.536 3.402 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592514398 459621273 /nfs/dbraw/zinc/62/12/73/459621273.db2.gz JHSDLHHEDRJHAW-OTWHNJEPSA-N 2 1 342.483 3.115 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592514398 459621277 /nfs/dbraw/zinc/62/12/77/459621277.db2.gz JHSDLHHEDRJHAW-OTWHNJEPSA-N 2 1 342.483 3.115 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000527323945 459629574 /nfs/dbraw/zinc/62/95/74/459629574.db2.gz CMLZLMCEZMHALZ-MRXNPFEDSA-N 2 1 328.859 3.412 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000527323945 459629578 /nfs/dbraw/zinc/62/95/78/459629578.db2.gz CMLZLMCEZMHALZ-MRXNPFEDSA-N 2 1 328.859 3.412 20 0 EGADMP Fc1cccc(-c2noc([C@H]3CCC[N@@H+](CC[C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000562836218 459657800 /nfs/dbraw/zinc/65/78/00/459657800.db2.gz XKVPSBBJGWRAEX-HOCLYGCPSA-N 2 1 344.434 3.055 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CNCc2ncc(Cl)cc2Br)C1 ZINC000527649300 459683879 /nfs/dbraw/zinc/68/38/79/459683879.db2.gz NHJUXSAMTGTZQP-LLVKDONJSA-N 2 1 346.700 3.317 20 0 EGADMP C[C@@H](NC(=O)c1ccccc1Oc1ccncc1)C1=CC[N@@H+](C)CC1 ZINC000573507549 459689250 /nfs/dbraw/zinc/68/92/50/459689250.db2.gz HTPNQJPMZGXVFZ-OAHLLOKOSA-N 2 1 337.423 3.254 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+]C[C@H](O)CC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000562995286 459690089 /nfs/dbraw/zinc/69/00/89/459690089.db2.gz BNVDQKVYJGZWAP-HYVNUMGLSA-N 2 1 344.421 3.190 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1)C(C)C ZINC000563115201 459718649 /nfs/dbraw/zinc/71/86/49/459718649.db2.gz NUYXAFCITFMRSS-IEBWSBKVSA-N 2 1 331.504 3.164 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])[C@H]1c1cccs1 ZINC000584408741 459730383 /nfs/dbraw/zinc/73/03/83/459730383.db2.gz FMRHTGZFAHUGDN-MKSNKDDYSA-N 2 1 349.544 3.155 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)[C@@H]2CC23CC3)CC1 ZINC000527845101 459757080 /nfs/dbraw/zinc/75/70/80/459757080.db2.gz CCEIWKSQRZDINX-PXNSSMCTSA-N 2 1 327.516 3.102 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)CC1 ZINC000527940067 459777778 /nfs/dbraw/zinc/77/77/78/459777778.db2.gz UWFKLJAZQYSSAG-UHFFFAOYSA-N 2 1 346.519 3.466 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002148 459791781 /nfs/dbraw/zinc/79/17/81/459791781.db2.gz ADPRCALMZXZYSV-QAPCUYQASA-N 2 1 332.488 3.414 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002148 459791785 /nfs/dbraw/zinc/79/17/85/459791785.db2.gz ADPRCALMZXZYSV-QAPCUYQASA-N 2 1 332.488 3.414 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002148 459791789 /nfs/dbraw/zinc/79/17/89/459791789.db2.gz ADPRCALMZXZYSV-QAPCUYQASA-N 2 1 332.488 3.414 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002148 459791793 /nfs/dbraw/zinc/79/17/93/459791793.db2.gz ADPRCALMZXZYSV-QAPCUYQASA-N 2 1 332.488 3.414 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002148 459791797 /nfs/dbraw/zinc/79/17/97/459791797.db2.gz ADPRCALMZXZYSV-QAPCUYQASA-N 2 1 332.488 3.414 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002148 459791800 /nfs/dbraw/zinc/79/18/00/459791800.db2.gz ADPRCALMZXZYSV-QAPCUYQASA-N 2 1 332.488 3.414 20 0 EGADMP Cn1cncc1[C@H]1[C@H](CNc2nccc3ccccc32)CCC[N@H+]1C ZINC000528013523 459797134 /nfs/dbraw/zinc/79/71/34/459797134.db2.gz AGMVZJSFRYDQAL-QFBILLFUSA-N 2 1 335.455 3.463 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+]C[C@](C)(O)C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000566115451 459808906 /nfs/dbraw/zinc/80/89/06/459808906.db2.gz JGJSHDHPHDYIDA-PVAVHDDUSA-N 2 1 344.421 3.190 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000574521640 459829339 /nfs/dbraw/zinc/82/93/39/459829339.db2.gz GBUUONWIVNIBPV-QGZVFWFLSA-N 2 1 331.847 3.301 20 0 EGADMP COc1cc(F)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000566339615 459845481 /nfs/dbraw/zinc/84/54/81/459845481.db2.gz XXHLZYUSRYNYTO-HNNXBMFYSA-N 2 1 336.451 3.007 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)CCC=C(C)C)CC2)CC1 ZINC000574770292 459869835 /nfs/dbraw/zinc/86/98/35/459869835.db2.gz IPMCQYYMCUFMEZ-GOSISDBHSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000574792267 459873047 /nfs/dbraw/zinc/87/30/47/459873047.db2.gz XZBMHKRCTNIFNN-MHTWAQMVSA-N 2 1 330.516 3.428 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(F)c4ccccc34)C2)CC1 ZINC000602463465 459949862 /nfs/dbraw/zinc/94/98/62/459949862.db2.gz GGZBHSYIHLCORE-SFHVURJKSA-N 2 1 341.474 3.191 20 0 EGADMP CC(C)Oc1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610250411 460097554 /nfs/dbraw/zinc/09/75/54/460097554.db2.gz GHABANNRJAGQNU-FQEVSTJZSA-N 2 1 345.531 3.074 20 0 EGADMP COC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000589743161 460134739 /nfs/dbraw/zinc/13/47/39/460134739.db2.gz AALIKDQBITYHEK-IEBWSBKVSA-N 2 1 344.499 3.363 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000576457682 460145038 /nfs/dbraw/zinc/14/50/38/460145038.db2.gz PQCKEXNJKPHBIY-HNNXBMFYSA-N 2 1 337.895 3.236 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)cs3)C2)CC1 ZINC000618810656 460185674 /nfs/dbraw/zinc/18/56/74/460185674.db2.gz KSYRQNKBOQGRHF-HNNXBMFYSA-N 2 1 327.925 3.002 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)cs3)C2)CC1 ZINC000618810656 460185677 /nfs/dbraw/zinc/18/56/77/460185677.db2.gz KSYRQNKBOQGRHF-HNNXBMFYSA-N 2 1 327.925 3.002 20 0 EGADMP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCCC[NH+]3C)cc2)C1 ZINC000599309867 460225810 /nfs/dbraw/zinc/22/58/10/460225810.db2.gz KHUINEQRMKPZQZ-LPHOPBHVSA-N 2 1 329.488 3.341 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCCC[NH+]3C)cc2)C1 ZINC000599309867 460225813 /nfs/dbraw/zinc/22/58/13/460225813.db2.gz KHUINEQRMKPZQZ-LPHOPBHVSA-N 2 1 329.488 3.341 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000599309867 460225815 /nfs/dbraw/zinc/22/58/15/460225815.db2.gz KHUINEQRMKPZQZ-LPHOPBHVSA-N 2 1 329.488 3.341 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCCC[N@H+]3C)cc2)C1 ZINC000599309867 460225818 /nfs/dbraw/zinc/22/58/18/460225818.db2.gz KHUINEQRMKPZQZ-LPHOPBHVSA-N 2 1 329.488 3.341 20 0 EGADMP CC(C)(CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000622554183 460277501 /nfs/dbraw/zinc/27/75/01/460277501.db2.gz ORAVRKGUBUUORO-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1)C(C)C ZINC000603336771 460286687 /nfs/dbraw/zinc/28/66/87/460286687.db2.gz PAQOYSXQUXPKMS-QGZVFWFLSA-N 2 1 345.531 3.377 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000615603821 460355260 /nfs/dbraw/zinc/35/52/60/460355260.db2.gz PNSGVNRZDSVRPW-OAQYLSRUSA-N 2 1 343.515 3.086 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)NC1CCCCC1 ZINC000626062605 460358635 /nfs/dbraw/zinc/35/86/35/460358635.db2.gz ZAZHEIXXGGNWIY-KRWDZBQOSA-N 2 1 345.531 3.408 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)c3ccccc3C)CC2)CC1 ZINC000623047646 460397645 /nfs/dbraw/zinc/39/76/45/460397645.db2.gz LWCAKXITGCKBNZ-UHFFFAOYSA-N 2 1 343.515 3.154 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000623086012 460407207 /nfs/dbraw/zinc/40/72/07/460407207.db2.gz SKJQZVFPIUIARE-UHFFFAOYSA-N 2 1 334.217 3.261 20 0 EGADMP CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604771066 460476932 /nfs/dbraw/zinc/47/69/32/460476932.db2.gz TYWRQBIETBUCSF-INIZCTEOSA-N 2 1 337.556 3.066 20 0 EGADMP CC[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000634717513 460489637 /nfs/dbraw/zinc/48/96/37/460489637.db2.gz MSEJLSRMJUNLPQ-RDJZCZTQSA-N 2 1 344.421 3.192 20 0 EGADMP CC[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000634717513 460489645 /nfs/dbraw/zinc/48/96/45/460489645.db2.gz MSEJLSRMJUNLPQ-RDJZCZTQSA-N 2 1 344.421 3.192 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000634732407 460498596 /nfs/dbraw/zinc/49/85/96/460498596.db2.gz FVQYWOBLAACQJQ-HXUWFJFHSA-N 2 1 347.522 3.200 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000623356958 460507829 /nfs/dbraw/zinc/50/78/29/460507829.db2.gz QMINJBQMQRJLDS-UHFFFAOYSA-N 2 1 349.466 3.274 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCCC[NH+](C)C2)cc1)C(C)C ZINC000628747927 460524481 /nfs/dbraw/zinc/52/44/81/460524481.db2.gz CXLJFTIJLFWGCN-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1)C(C)C ZINC000628747927 460524488 /nfs/dbraw/zinc/52/44/88/460524488.db2.gz CXLJFTIJLFWGCN-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1)C(C)C ZINC000628747927 460524493 /nfs/dbraw/zinc/52/44/93/460524493.db2.gz CXLJFTIJLFWGCN-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000635302906 460739037 /nfs/dbraw/zinc/73/90/37/460739037.db2.gz FSWWGHHGZLSMMK-KRWDZBQOSA-N 2 1 343.515 3.019 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000635338800 460749467 /nfs/dbraw/zinc/74/94/67/460749467.db2.gz ZUBTVGKXZJMWEW-UHFFFAOYSA-N 2 1 343.515 3.019 20 0 EGADMP Cc1csc([C@H](C)[NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)n1 ZINC000623935644 460786387 /nfs/dbraw/zinc/78/63/87/460786387.db2.gz LDJKGTYEOJMQPT-DZGCQCFKSA-N 2 1 331.489 3.178 20 0 EGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000629539984 460801475 /nfs/dbraw/zinc/80/14/75/460801475.db2.gz SVRWGMKEFVQQBN-CMKODMSKSA-N 2 1 331.504 3.232 20 0 EGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cn1cc[nH+]c1C(C)C ZINC000635483491 460804908 /nfs/dbraw/zinc/80/49/08/460804908.db2.gz VDZWHKBKYJCZNP-UHFFFAOYSA-N 2 1 342.487 3.117 20 0 EGADMP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1cn([C@@H]3CC[NH2+]C3)nn1)CCCC2 ZINC000629552530 460805072 /nfs/dbraw/zinc/80/50/72/460805072.db2.gz LQWUVBJHDLIMAC-AEFFLSMTSA-N 2 1 345.878 3.023 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617351302 460825512 /nfs/dbraw/zinc/82/55/12/460825512.db2.gz IMPAZOWLEJVRCE-MSOLQXFVSA-N 2 1 331.504 3.059 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000635544662 460826744 /nfs/dbraw/zinc/82/67/44/460826744.db2.gz CCVZTJDYMBLYEL-UHFFFAOYSA-N 2 1 342.487 3.163 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000635544662 460826745 /nfs/dbraw/zinc/82/67/45/460826745.db2.gz CCVZTJDYMBLYEL-UHFFFAOYSA-N 2 1 342.487 3.163 20 0 EGADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000624121897 460870693 /nfs/dbraw/zinc/87/06/93/460870693.db2.gz FUYJFGMVLPPGCO-ICSRJNTNSA-N 2 1 341.503 3.039 20 0 EGADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000632893297 460872746 /nfs/dbraw/zinc/87/27/46/460872746.db2.gz SQAZMEHTILTWLF-RDJZCZTQSA-N 2 1 344.503 3.405 20 0 EGADMP C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ncc(Br)cc1F ZINC000624123446 460873246 /nfs/dbraw/zinc/87/32/46/460873246.db2.gz MASPYHVBNLZFAU-NWDGAFQWSA-N 2 1 344.272 3.366 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H](CCO)c2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000624289846 460946256 /nfs/dbraw/zinc/94/62/56/460946256.db2.gz QASHTXDYTJGCGQ-XFBWCDHKSA-N 2 1 331.287 3.489 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CCN1C ZINC000624289846 460946261 /nfs/dbraw/zinc/94/62/61/460946261.db2.gz QASHTXDYTJGCGQ-XFBWCDHKSA-N 2 1 331.287 3.489 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000624289846 460946265 /nfs/dbraw/zinc/94/62/65/460946265.db2.gz QASHTXDYTJGCGQ-XFBWCDHKSA-N 2 1 331.287 3.489 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000624289846 460946269 /nfs/dbraw/zinc/94/62/69/460946269.db2.gz QASHTXDYTJGCGQ-XFBWCDHKSA-N 2 1 331.287 3.489 20 0 EGADMP CN(CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)CC(F)F ZINC000624328631 460961302 /nfs/dbraw/zinc/96/13/02/460961302.db2.gz XXQSYXHEHQTHHB-UHFFFAOYSA-N 2 1 339.474 3.216 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000621331739 460991846 /nfs/dbraw/zinc/99/18/46/460991846.db2.gz MBLKZXFGENSVGG-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000621331739 460991850 /nfs/dbraw/zinc/99/18/50/460991850.db2.gz MBLKZXFGENSVGG-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCCC[NH+](C)C ZINC000608482957 461072265 /nfs/dbraw/zinc/07/22/65/461072265.db2.gz XGYPEHMQZBPLAQ-FQEVSTJZSA-N 2 1 345.531 3.089 20 0 EGADMP Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000652351681 461148136 /nfs/dbraw/zinc/14/81/36/461148136.db2.gz PJXJQBNOUMZHKX-VCBZYWHSSA-N 2 1 326.444 3.167 20 0 EGADMP Cc1ccccc1-c1noc([C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000652351681 461148142 /nfs/dbraw/zinc/14/81/42/461148142.db2.gz PJXJQBNOUMZHKX-VCBZYWHSSA-N 2 1 326.444 3.167 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])cc2)n1 ZINC000652355109 461151099 /nfs/dbraw/zinc/15/10/99/461151099.db2.gz PMBMHJTXNATPOE-MGPUTAFESA-N 2 1 326.488 3.438 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000668167073 461152377 /nfs/dbraw/zinc/15/23/77/461152377.db2.gz RPLQZYLWKVJCIJ-MRXNPFEDSA-N 2 1 331.460 3.127 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000668167073 461152387 /nfs/dbraw/zinc/15/23/87/461152387.db2.gz RPLQZYLWKVJCIJ-MRXNPFEDSA-N 2 1 331.460 3.127 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2Cl)C1 ZINC000652363429 461156670 /nfs/dbraw/zinc/15/66/70/461156670.db2.gz DNILBPIDHITNMB-PVAVHDDUSA-N 2 1 326.843 3.340 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)on2)cc1 ZINC000662283816 461165064 /nfs/dbraw/zinc/16/50/64/461165064.db2.gz QDPDVYJYNXKUDC-HNNXBMFYSA-N 2 1 341.455 3.314 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC000662290619 461168084 /nfs/dbraw/zinc/16/80/84/461168084.db2.gz GLPWPVQYBWSOOD-NVXWUHKLSA-N 2 1 347.478 3.173 20 0 EGADMP CO[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)C1CCOCC1 ZINC000637978485 461170067 /nfs/dbraw/zinc/17/00/67/461170067.db2.gz PIECMSGZIBGSGE-QWFCFKBJSA-N 2 1 338.536 3.014 20 0 EGADMP CO[C@H](C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C1CCOCC1 ZINC000637978485 461170070 /nfs/dbraw/zinc/17/00/70/461170070.db2.gz PIECMSGZIBGSGE-QWFCFKBJSA-N 2 1 338.536 3.014 20 0 EGADMP CO[C@H](C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)C1CCOCC1 ZINC000637978485 461170075 /nfs/dbraw/zinc/17/00/75/461170075.db2.gz PIECMSGZIBGSGE-QWFCFKBJSA-N 2 1 338.536 3.014 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662293228 461170784 /nfs/dbraw/zinc/17/07/84/461170784.db2.gz DNWSQMVJRNLPHB-WMZOPIPTSA-N 2 1 329.488 3.034 20 0 EGADMP FC(F)(F)c1csc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662291913 461171133 /nfs/dbraw/zinc/17/11/33/461171133.db2.gz APPVJCVOFFUFMV-LBPRGKRZSA-N 2 1 333.423 3.374 20 0 EGADMP FC(F)(F)c1csc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662291913 461171139 /nfs/dbraw/zinc/17/11/39/461171139.db2.gz APPVJCVOFFUFMV-LBPRGKRZSA-N 2 1 333.423 3.374 20 0 EGADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297758 461174661 /nfs/dbraw/zinc/17/46/61/461174661.db2.gz RNXIJHRSVOONSP-IEBWSBKVSA-N 2 1 343.515 3.342 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296185 461176702 /nfs/dbraw/zinc/17/67/02/461176702.db2.gz XJIMCELKQZBRAE-GOSISDBHSA-N 2 1 343.515 3.460 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccc(F)cc3F)n2)[C@@H]1CCC[NH3+] ZINC000662316778 461187575 /nfs/dbraw/zinc/18/75/75/461187575.db2.gz NPADWCUDIAHKBI-RDTXWAMCSA-N 2 1 348.441 3.490 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2cncc(Br)c2)[C@@H]1CCC[NH3+] ZINC000662317283 461188101 /nfs/dbraw/zinc/18/81/01/461188101.db2.gz PPQZUGZNLOIUGT-IUODEOHRSA-N 2 1 326.282 3.184 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccn(-c3c(F)cccc3F)n2)[C@@H]1CCC[NH3+] ZINC000662317920 461190067 /nfs/dbraw/zinc/19/00/67/461190067.db2.gz VRCBFYJHYDQIOL-RDTXWAMCSA-N 2 1 348.441 3.490 20 0 EGADMP Cc1cnc([C@H](C)[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)o1 ZINC000662327970 461195630 /nfs/dbraw/zinc/19/56/30/461195630.db2.gz WVPWCUFQGHCPHS-AWEZNQCLSA-N 2 1 343.475 3.114 20 0 EGADMP Cc1cnc([C@H](C)[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)o1 ZINC000662327970 461195643 /nfs/dbraw/zinc/19/56/43/461195643.db2.gz WVPWCUFQGHCPHS-AWEZNQCLSA-N 2 1 343.475 3.114 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662386222 461225730 /nfs/dbraw/zinc/22/57/30/461225730.db2.gz YODQFBFHKMQUSF-UHFFFAOYSA-N 2 1 337.467 3.060 20 0 EGADMP CCCN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000646421050 461250246 /nfs/dbraw/zinc/25/02/46/461250246.db2.gz QCDQIFQSQMJFNN-IEBWSBKVSA-N 2 1 344.503 3.184 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000655444038 461254090 /nfs/dbraw/zinc/25/40/90/461254090.db2.gz IBEAXKDKCYPXBK-OZOXKJRCSA-N 2 1 341.499 3.389 20 0 EGADMP C[C@H]1C[N@@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000638137769 461264351 /nfs/dbraw/zinc/26/43/51/461264351.db2.gz NJCABWBLWOROOC-WSWWRLHASA-N 2 1 341.543 3.138 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1)C(C)C ZINC000646481545 461289629 /nfs/dbraw/zinc/28/96/29/461289629.db2.gz OOOTXJOUJKDYGN-VQIMIIECSA-N 2 1 331.504 3.082 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000662593757 461310398 /nfs/dbraw/zinc/31/03/98/461310398.db2.gz QFSMUOICTDLZOK-ZWKOTPCHSA-N 2 1 337.552 3.301 20 0 EGADMP Clc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000655679539 461357988 /nfs/dbraw/zinc/35/79/88/461357988.db2.gz BRVUUTWSSXGBBA-INIZCTEOSA-N 2 1 343.298 3.379 20 0 EGADMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000638316028 461361677 /nfs/dbraw/zinc/36/16/77/461361677.db2.gz KXLCZRMFPUBBKS-MRXNPFEDSA-N 2 1 338.492 3.188 20 0 EGADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C[C@@H]1[NH3+] ZINC000641804783 461379889 /nfs/dbraw/zinc/37/98/89/461379889.db2.gz JQNYLKMSORZGBE-NWDGAFQWSA-N 2 1 349.784 3.013 20 0 EGADMP Fc1cccc(Cl)c1CCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668693808 461384521 /nfs/dbraw/zinc/38/45/21/461384521.db2.gz WDGTWJAEJZMEGV-HNNXBMFYSA-N 2 1 340.870 3.255 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000655722762 461390779 /nfs/dbraw/zinc/39/07/79/461390779.db2.gz HWLMQDNDHPRXFU-MRXNPFEDSA-N 2 1 330.451 3.141 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000655722762 461390787 /nfs/dbraw/zinc/39/07/87/461390787.db2.gz HWLMQDNDHPRXFU-MRXNPFEDSA-N 2 1 330.451 3.141 20 0 EGADMP c1ccc2c(c1)CCS[C@@H]2C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655722077 461391182 /nfs/dbraw/zinc/39/11/82/461391182.db2.gz WDKCRTWBBLGMAZ-UYAOXDASSA-N 2 1 346.540 3.250 20 0 EGADMP CCc1ccc(C(C)(C)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655721608 461391256 /nfs/dbraw/zinc/39/12/56/461391256.db2.gz QMBJVSPQSZDZGJ-HXUWFJFHSA-N 2 1 330.516 3.370 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000655724174 461393711 /nfs/dbraw/zinc/39/37/11/461393711.db2.gz XEMWEYOFQWWKBQ-GOSISDBHSA-N 2 1 326.488 3.311 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000655724174 461393718 /nfs/dbraw/zinc/39/37/18/461393718.db2.gz XEMWEYOFQWWKBQ-GOSISDBHSA-N 2 1 326.488 3.311 20 0 EGADMP C[C@@H]1[C@H](C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000652870734 461393895 /nfs/dbraw/zinc/39/38/95/461393895.db2.gz ILLGJXXIPDWLSF-CRAIPNDOSA-N 2 1 347.528 3.153 20 0 EGADMP Cc1cc(C)cc(C[C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655730833 461398342 /nfs/dbraw/zinc/39/83/42/461398342.db2.gz UHHGTSKRVBBROI-NQIIRXRSSA-N 2 1 330.516 3.467 20 0 EGADMP Cc1cc(C)cc(C[C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655730837 461398860 /nfs/dbraw/zinc/39/88/60/461398860.db2.gz UHHGTSKRVBBROI-WIYYLYMNSA-N 2 1 330.516 3.467 20 0 EGADMP c1ccc(CC2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCC2)cc1 ZINC000655733061 461400915 /nfs/dbraw/zinc/40/09/15/461400915.db2.gz IRRSQVZKUCBEEC-HXUWFJFHSA-N 2 1 328.500 3.242 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCO2)cc1 ZINC000655754820 461419959 /nfs/dbraw/zinc/41/99/59/461419959.db2.gz IGJAIVMPAYHBFL-ACRUOGEOSA-N 2 1 344.499 3.140 20 0 EGADMP [NH3+][C@H](CCC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)CC1CCCCC1 ZINC000663005551 461424899 /nfs/dbraw/zinc/42/48/99/461424899.db2.gz WFDGGYZQSJZGHE-VQTJNVASSA-N 2 1 349.563 3.303 20 0 EGADMP c1ccc([C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)cc1 ZINC000655770644 461434920 /nfs/dbraw/zinc/43/49/20/461434920.db2.gz NBHDRGGEXAAUJW-RTWAWAEBSA-N 2 1 328.500 3.413 20 0 EGADMP Fc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655771150 461434943 /nfs/dbraw/zinc/43/49/43/461434943.db2.gz BHRREINFGFHBGZ-JXFKEZNVSA-N 2 1 332.463 3.436 20 0 EGADMP Fc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655771151 461435484 /nfs/dbraw/zinc/43/54/84/461435484.db2.gz BHRREINFGFHBGZ-OXJNMPFZSA-N 2 1 332.463 3.436 20 0 EGADMP CCOc1ccc(C[C@H](C)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655775313 461437467 /nfs/dbraw/zinc/43/74/67/461437467.db2.gz WBEICAANUFAIJW-FXAWDEMLSA-N 2 1 346.515 3.107 20 0 EGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1O ZINC000668820348 461452173 /nfs/dbraw/zinc/45/21/73/461452173.db2.gz UHVDQUJVLITELS-VQIMIIECSA-N 2 1 346.515 3.434 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CCCO1 ZINC000666132750 461465814 /nfs/dbraw/zinc/46/58/14/461465814.db2.gz IOASEJQTOSHXKP-DOTOQJQBSA-N 2 1 336.907 3.288 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CCCO1 ZINC000666132750 461465820 /nfs/dbraw/zinc/46/58/20/461465820.db2.gz IOASEJQTOSHXKP-DOTOQJQBSA-N 2 1 336.907 3.288 20 0 EGADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC1 ZINC000655840000 461489769 /nfs/dbraw/zinc/48/97/69/461489769.db2.gz BTUPMGZXJWNJNL-ZEWNOJEFSA-N 2 1 328.500 3.277 20 0 EGADMP C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655840471 461490336 /nfs/dbraw/zinc/49/03/36/461490336.db2.gz VNHMGPUCMXQCGO-PWZKMPOXSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655840471 461490341 /nfs/dbraw/zinc/49/03/41/461490341.db2.gz VNHMGPUCMXQCGO-PWZKMPOXSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631041083 461493144 /nfs/dbraw/zinc/49/31/44/461493144.db2.gz ITPPLJLIIHFXPX-INIZCTEOSA-N 2 1 325.456 3.451 20 0 EGADMP CCC(CC)(C[NH2+][C@@H]1CCCNC(=O)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000638638365 461514604 /nfs/dbraw/zinc/51/46/04/461514604.db2.gz CNRWIFBIEJQJNC-FUHWJXTLSA-N 2 1 331.504 3.154 20 0 EGADMP C[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)CC[C@@H]1CCCC[NH+]1C ZINC000659959002 461516245 /nfs/dbraw/zinc/51/62/45/461516245.db2.gz BPCXGFATHHJQNX-YJBOKZPZSA-N 2 1 347.528 3.296 20 0 EGADMP C[NH+](CC[C@@H]1Sc2ccccc2NC1=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000659959002 461516256 /nfs/dbraw/zinc/51/62/56/461516256.db2.gz BPCXGFATHHJQNX-YJBOKZPZSA-N 2 1 347.528 3.296 20 0 EGADMP C[NH+](CC[C@@H]1Sc2ccccc2NC1=O)CC[C@@H]1CCCC[N@H+]1C ZINC000659959002 461516261 /nfs/dbraw/zinc/51/62/61/461516261.db2.gz BPCXGFATHHJQNX-YJBOKZPZSA-N 2 1 347.528 3.296 20 0 EGADMP Cn1cc(CCC[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000638670801 461526787 /nfs/dbraw/zinc/52/67/87/461526787.db2.gz LAJAOEACJSKNSF-WMZOPIPTSA-N 2 1 332.517 3.087 20 0 EGADMP Cn1cc(CCC[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000638670801 461526793 /nfs/dbraw/zinc/52/67/93/461526793.db2.gz LAJAOEACJSKNSF-WMZOPIPTSA-N 2 1 332.517 3.087 20 0 EGADMP Brc1cccc2c1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CCO2 ZINC000655949631 461547816 /nfs/dbraw/zinc/54/78/16/461547816.db2.gz ZUXGGVZJEXFFLF-ZDUSSCGKSA-N 2 1 339.277 3.033 20 0 EGADMP CC(C)Cn1nccc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000647179315 461548116 /nfs/dbraw/zinc/54/81/16/461548116.db2.gz PQGZWAIORIKQCU-FQEVSTJZSA-N 2 1 340.515 3.193 20 0 EGADMP CC(C)Cn1nccc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000647179315 461548124 /nfs/dbraw/zinc/54/81/24/461548124.db2.gz PQGZWAIORIKQCU-FQEVSTJZSA-N 2 1 340.515 3.193 20 0 EGADMP OC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638760334 461564121 /nfs/dbraw/zinc/56/41/21/461564121.db2.gz OMIZYFYZWYJGFZ-WBKMXMRLSA-N 2 1 328.500 3.495 20 0 EGADMP OC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638760334 461564125 /nfs/dbraw/zinc/56/41/25/461564125.db2.gz OMIZYFYZWYJGFZ-WBKMXMRLSA-N 2 1 328.500 3.495 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638781529 461576649 /nfs/dbraw/zinc/57/66/49/461576649.db2.gz VONJJEWYXMFWAL-IIPCHUTBSA-N 2 1 339.527 3.427 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638781529 461576655 /nfs/dbraw/zinc/57/66/55/461576655.db2.gz VONJJEWYXMFWAL-IIPCHUTBSA-N 2 1 339.527 3.427 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638781529 461576660 /nfs/dbraw/zinc/57/66/60/461576660.db2.gz VONJJEWYXMFWAL-IIPCHUTBSA-N 2 1 339.527 3.427 20 0 EGADMP c1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c2c(c1)OCCCO2 ZINC000663347025 461577705 /nfs/dbraw/zinc/57/77/05/461577705.db2.gz FXGGLUQFCWAFFI-KRWDZBQOSA-N 2 1 330.472 3.060 20 0 EGADMP c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c2c(c1)OCCCO2 ZINC000663347025 461577711 /nfs/dbraw/zinc/57/77/11/461577711.db2.gz FXGGLUQFCWAFFI-KRWDZBQOSA-N 2 1 330.472 3.060 20 0 EGADMP Cc1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(F)c1 ZINC000631140698 461583635 /nfs/dbraw/zinc/58/36/35/461583635.db2.gz CSJHCZGGHANRLI-UHFFFAOYSA-N 2 1 331.435 3.149 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000643057129 461599305 /nfs/dbraw/zinc/59/93/05/461599305.db2.gz AGZZOPKCNDVAOU-YLJYHZDGSA-N 2 1 326.440 3.280 20 0 EGADMP CC(C)c1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000660156210 461611074 /nfs/dbraw/zinc/61/10/74/461611074.db2.gz QIIYXDDWEISSLG-RXVVDRJESA-N 2 1 329.532 3.268 20 0 EGADMP Cc1cc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)nc(C)n1 ZINC000660165454 461616883 /nfs/dbraw/zinc/61/68/83/461616883.db2.gz DWVHPIVZAMYXMN-UHFFFAOYSA-N 2 1 339.487 3.227 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C)nc1C(F)F ZINC000631195896 461635850 /nfs/dbraw/zinc/63/58/50/461635850.db2.gz LHIKKAHXQWBWSH-GOEBONIOSA-N 2 1 348.441 3.215 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C)nc1C(F)F ZINC000631195896 461635859 /nfs/dbraw/zinc/63/58/59/461635859.db2.gz LHIKKAHXQWBWSH-GOEBONIOSA-N 2 1 348.441 3.215 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1O ZINC000631196385 461636322 /nfs/dbraw/zinc/63/63/22/461636322.db2.gz QUNXWEXAXFSWRO-APWZRJJASA-N 2 1 340.467 3.259 20 0 EGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663467852 461656891 /nfs/dbraw/zinc/65/68/91/461656891.db2.gz IHOKDDQKSPBKKG-QAPCUYQASA-N 2 1 329.488 3.418 20 0 EGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663467852 461656900 /nfs/dbraw/zinc/65/69/00/461656900.db2.gz IHOKDDQKSPBKKG-QAPCUYQASA-N 2 1 329.488 3.418 20 0 EGADMP COc1cc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccn1 ZINC000638969823 461661886 /nfs/dbraw/zinc/66/18/86/461661886.db2.gz IUTMFDIXPQEFOO-XYJFISCASA-N 2 1 331.504 3.264 20 0 EGADMP CC1(C)C[C@]1(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000663478083 461666392 /nfs/dbraw/zinc/66/63/92/461666392.db2.gz YZEQGXWBCDGTKU-CTNGQTDRSA-N 2 1 328.500 3.197 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000656251905 461674384 /nfs/dbraw/zinc/67/43/84/461674384.db2.gz PDOTVSMOLCVZSN-UHFFFAOYSA-N 2 1 330.451 3.093 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000647496810 461734743 /nfs/dbraw/zinc/73/47/43/461734743.db2.gz UXZQBOPKLSAUGY-GDBMZVCRSA-N 2 1 338.455 3.393 20 0 EGADMP CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000643461987 461735270 /nfs/dbraw/zinc/73/52/70/461735270.db2.gz IQLHNLLLFKUYIT-RTBURBONSA-N 2 1 343.515 3.106 20 0 EGADMP Cn1cc(C[N@@H+](C)CC(C)(C)C[NH3+])c(-c2cc3ccccc3o2)n1 ZINC000647505866 461738899 /nfs/dbraw/zinc/73/88/99/461738899.db2.gz KZGZCEFNORSOOF-UHFFFAOYSA-N 2 1 326.444 3.250 20 0 EGADMP OC[C@H](CC1CCC1)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639123576 461744669 /nfs/dbraw/zinc/74/46/69/461744669.db2.gz NENQTUMNWQAYKI-SVFBPWRDSA-N 2 1 328.500 3.495 20 0 EGADMP OC[C@H](CC1CCC1)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639123576 461744677 /nfs/dbraw/zinc/74/46/77/461744677.db2.gz NENQTUMNWQAYKI-SVFBPWRDSA-N 2 1 328.500 3.495 20 0 EGADMP CCc1nn(C)cc1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000647532575 461750211 /nfs/dbraw/zinc/75/02/11/461750211.db2.gz IGJKNQSODIGHDL-NQIIRXRSSA-N 2 1 340.515 3.155 20 0 EGADMP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c(Br)c1 ZINC000643522187 461752299 /nfs/dbraw/zinc/75/22/99/461752299.db2.gz JGVIUZQRCZPQFQ-NEPJUHHUSA-N 2 1 327.266 3.250 20 0 EGADMP COC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(C(F)(F)F)c1 ZINC000653605496 461755920 /nfs/dbraw/zinc/75/59/20/461755920.db2.gz ZXFINJWJSOFXNR-INIZCTEOSA-N 2 1 341.377 3.349 20 0 EGADMP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543519 461756188 /nfs/dbraw/zinc/75/61/88/461756188.db2.gz ORGFPYDIKWFDGV-RBUKOAKNSA-N 2 1 338.499 3.392 20 0 EGADMP FC(F)(F)c1cccnc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542827 461756451 /nfs/dbraw/zinc/75/64/51/461756451.db2.gz CMOQXRADQWKDHI-UONOGXRCSA-N 2 1 327.394 3.312 20 0 EGADMP c1sc(-c2ccccn2)nc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542876 461756755 /nfs/dbraw/zinc/75/67/55/461756755.db2.gz DHAVTLBAQNMMPX-JKSUJKDBSA-N 2 1 342.512 3.417 20 0 EGADMP c1cn2c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c(C3CC3)nc2s1 ZINC000647543207 461756983 /nfs/dbraw/zinc/75/69/83/461756983.db2.gz JHQLLLHZLFVLRQ-HZPDHXFCSA-N 2 1 344.528 3.485 20 0 EGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000647543726 461758970 /nfs/dbraw/zinc/75/89/70/461758970.db2.gz RMJCZYIJVSNBSN-HOTGVXAUSA-N 2 1 328.460 3.190 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OC ZINC000647544292 461759495 /nfs/dbraw/zinc/75/94/95/461759495.db2.gz ZAQXSSLJXYROIY-MSOLQXFVSA-N 2 1 332.488 3.306 20 0 EGADMP Cc1cnccc1OC1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000660432524 461775959 /nfs/dbraw/zinc/77/59/59/461775959.db2.gz ZIYPNACHDLQMMM-CALCHBBNSA-N 2 1 331.504 3.211 20 0 EGADMP Cc1c[nH+]ccc1OC1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000660432524 461775964 /nfs/dbraw/zinc/77/59/64/461775964.db2.gz ZIYPNACHDLQMMM-CALCHBBNSA-N 2 1 331.504 3.211 20 0 EGADMP Cc1c[nH+]ccc1OC1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000660432524 461775967 /nfs/dbraw/zinc/77/59/67/461775967.db2.gz ZIYPNACHDLQMMM-CALCHBBNSA-N 2 1 331.504 3.211 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(Cl)cc1O ZINC000639177045 461782710 /nfs/dbraw/zinc/78/27/10/461782710.db2.gz OSJPGHVMVYWWCV-AWEZNQCLSA-N 2 1 338.879 3.218 20 0 EGADMP OC[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CCCC1 ZINC000639194859 461796708 /nfs/dbraw/zinc/79/67/08/461796708.db2.gz NNSBKRQXSDYONK-JBACZVJFSA-N 2 1 328.500 3.495 20 0 EGADMP OC[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CCCC1 ZINC000639194859 461796714 /nfs/dbraw/zinc/79/67/14/461796714.db2.gz NNSBKRQXSDYONK-JBACZVJFSA-N 2 1 328.500 3.495 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000639210751 461805243 /nfs/dbraw/zinc/80/52/43/461805243.db2.gz JAFAYHOWMCNVFA-SMDDNHRTSA-N 2 1 344.286 3.394 20 0 EGADMP Cc1ccccc1-c1noc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)n1 ZINC000643895255 461832311 /nfs/dbraw/zinc/83/23/11/461832311.db2.gz MMFLXRQLXFQAJV-HNNXBMFYSA-N 2 1 326.444 3.009 20 0 EGADMP CC[N@@H+](CCC[NH2+]C[C@H](OC)C1CCOCC1)C1CCCCC1 ZINC000639291898 461847374 /nfs/dbraw/zinc/84/73/74/461847374.db2.gz VNUXBQMLDYISHV-IBGZPJMESA-N 2 1 326.525 3.062 20 0 EGADMP CCC[N@H+]1CC[C@H](N[C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639329135 461863821 /nfs/dbraw/zinc/86/38/21/461863821.db2.gz GTJNCNUIFNMPNF-IRFCIJBXSA-N 2 1 327.516 3.428 20 0 EGADMP CCC[NH+]1CC[C@H](N[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639329135 461863827 /nfs/dbraw/zinc/86/38/27/461863827.db2.gz GTJNCNUIFNMPNF-IRFCIJBXSA-N 2 1 327.516 3.428 20 0 EGADMP CCC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639329135 461863835 /nfs/dbraw/zinc/86/38/35/461863835.db2.gz GTJNCNUIFNMPNF-IRFCIJBXSA-N 2 1 327.516 3.428 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@H]1CCCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000647878079 461866576 /nfs/dbraw/zinc/86/65/76/461866576.db2.gz OMFYKADPAOEHKY-KRWDZBQOSA-N 2 1 335.455 3.449 20 0 EGADMP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000647880983 461869042 /nfs/dbraw/zinc/86/90/42/461869042.db2.gz NGJVLBAJOKYFBJ-AWEZNQCLSA-N 2 1 341.421 3.136 20 0 EGADMP CC[C@@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000647936519 461894471 /nfs/dbraw/zinc/89/44/71/461894471.db2.gz GPRCCVFJKVJEEN-YLJYHZDGSA-N 2 1 337.467 3.498 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000647936519 461894479 /nfs/dbraw/zinc/89/44/79/461894479.db2.gz GPRCCVFJKVJEEN-YLJYHZDGSA-N 2 1 337.467 3.498 20 0 EGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705752 461897308 /nfs/dbraw/zinc/89/73/08/461897308.db2.gz UJTIFBMMYXYQEE-NLWGTHIKSA-N 2 1 332.488 3.192 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccccc3OC(F)F)C2)C1 ZINC000650705884 461898637 /nfs/dbraw/zinc/89/86/37/461898637.db2.gz ZZTOGQPIZHXJHM-BFYDXBDKSA-N 2 1 340.414 3.006 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3csc(-c4ccco4)n3)C2)C1 ZINC000650706159 461899944 /nfs/dbraw/zinc/89/99/44/461899944.db2.gz FMVMQWIBEWWBGE-CPUCHLNUSA-N 2 1 347.484 3.121 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000650706504 461900357 /nfs/dbraw/zinc/90/03/57/461900357.db2.gz LYVXZKVXDKINLV-VVFCZOMOSA-N 2 1 332.419 3.290 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000650708059 461901740 /nfs/dbraw/zinc/90/17/40/461901740.db2.gz SQNAEQISYOTGRJ-YSVLISHTSA-N 2 1 326.843 3.197 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000650707546 461902409 /nfs/dbraw/zinc/90/24/09/461902409.db2.gz IJLGDGVOOZNDSS-CKEIUWERSA-N 2 1 326.843 3.197 20 0 EGADMP C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654991 461904722 /nfs/dbraw/zinc/90/47/22/461904722.db2.gz JXLQMSBCMFIGPQ-DNVCBOLYSA-N 2 1 326.444 3.215 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)[C@@H]1CC[NH3+] ZINC000650711509 461905050 /nfs/dbraw/zinc/90/50/50/461905050.db2.gz WCGFXSBKUGYQAZ-LSTHTHJFSA-N 2 1 332.488 3.194 20 0 EGADMP Fc1cc(Br)ccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998102 461906252 /nfs/dbraw/zinc/90/62/52/461906252.db2.gz BHQLPMBSBVMQND-CYBMUJFWSA-N 2 1 327.241 3.353 20 0 EGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1ccccc1Cl)C2 ZINC000660655413 461907692 /nfs/dbraw/zinc/90/76/92/461907692.db2.gz MCNMZLIMNFWLKX-SFHVURJKSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)Nc1ccccc1Cl)C2 ZINC000660655413 461907699 /nfs/dbraw/zinc/90/76/99/461907699.db2.gz MCNMZLIMNFWLKX-SFHVURJKSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(=O)Nc1ccccc1Cl)C2 ZINC000660655413 461907704 /nfs/dbraw/zinc/90/77/04/461907704.db2.gz MCNMZLIMNFWLKX-SFHVURJKSA-N 2 1 335.879 3.086 20 0 EGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)Cc1ccc3ccccc3c1)C2 ZINC000660660911 461911302 /nfs/dbraw/zinc/91/13/02/461911302.db2.gz BEDAUKHZTSHRAP-FCHUYYIVSA-N 2 1 338.495 3.161 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)Cc1ccc3ccccc3c1)C2 ZINC000660660911 461911305 /nfs/dbraw/zinc/91/13/05/461911305.db2.gz BEDAUKHZTSHRAP-FCHUYYIVSA-N 2 1 338.495 3.161 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)Cc1ccc3ccccc3c1)C2 ZINC000660660911 461911311 /nfs/dbraw/zinc/91/13/11/461911311.db2.gz BEDAUKHZTSHRAP-FCHUYYIVSA-N 2 1 338.495 3.161 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc3ncccc3c2)C1 ZINC000650722580 461913900 /nfs/dbraw/zinc/91/39/00/461913900.db2.gz XGDRKFLLYVDLLQ-MISYRCLQSA-N 2 1 325.456 3.096 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc3cc(F)ccc3o2)C1 ZINC000650723958 461915808 /nfs/dbraw/zinc/91/58/08/461915808.db2.gz WDORLSGWNDZQKV-SZVBFZGTSA-N 2 1 332.419 3.433 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975211 461917066 /nfs/dbraw/zinc/91/70/66/461917066.db2.gz QIXMOMISUZKFOR-QZTJIDSGSA-N 2 1 343.515 3.460 20 0 EGADMP c1csc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647976748 461919211 /nfs/dbraw/zinc/91/92/11/461919211.db2.gz SZVPSVATACJKMM-KBPBESRZSA-N 2 1 332.473 3.010 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC000647978893 461921102 /nfs/dbraw/zinc/92/11/02/461921102.db2.gz ZXQYTKKWVCQMKC-GBESFXJTSA-N 2 1 343.515 3.342 20 0 EGADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679893 461922746 /nfs/dbraw/zinc/92/27/46/461922746.db2.gz QUFHKAJRTPWWLF-AVRDEDQJSA-N 2 1 338.495 3.405 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C)o2)C[C@@H]1C ZINC000648009908 461936613 /nfs/dbraw/zinc/93/66/13/461936613.db2.gz BENWNWUZULWEGC-YOEHRIQHSA-N 2 1 330.476 3.293 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C)o2)C[C@@H]1C ZINC000648009908 461936622 /nfs/dbraw/zinc/93/66/22/461936622.db2.gz BENWNWUZULWEGC-YOEHRIQHSA-N 2 1 330.476 3.293 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C)o2)C[C@@H]1C ZINC000648009908 461936630 /nfs/dbraw/zinc/93/66/30/461936630.db2.gz BENWNWUZULWEGC-YOEHRIQHSA-N 2 1 330.476 3.293 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C)o2)C[C@@H]1C ZINC000648009908 461936631 /nfs/dbraw/zinc/93/66/31/461936631.db2.gz BENWNWUZULWEGC-YOEHRIQHSA-N 2 1 330.476 3.293 20 0 EGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644543857 461978374 /nfs/dbraw/zinc/97/83/74/461978374.db2.gz CWGYFODJNRIXKG-RTWAWAEBSA-N 2 1 326.484 3.090 20 0 EGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644543857 461978376 /nfs/dbraw/zinc/97/83/76/461978376.db2.gz CWGYFODJNRIXKG-RTWAWAEBSA-N 2 1 326.484 3.090 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000648150652 461989499 /nfs/dbraw/zinc/98/94/99/461989499.db2.gz ZAZYYGWKHLPFBT-DACLVMHWSA-N 2 1 349.906 3.204 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000648150652 461989503 /nfs/dbraw/zinc/98/95/03/461989503.db2.gz ZAZYYGWKHLPFBT-DACLVMHWSA-N 2 1 349.906 3.204 20 0 EGADMP Cc1nnc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000639727651 462079132 /nfs/dbraw/zinc/07/91/32/462079132.db2.gz WIRGBFMRPZJMGA-UHFFFAOYSA-N 2 1 340.471 3.256 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnn1CC1CC1 ZINC000657386524 462089180 /nfs/dbraw/zinc/08/91/80/462089180.db2.gz HOCNFSHEFFALHJ-LAUBAEHRSA-N 2 1 338.499 3.293 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnn1CC1CC1 ZINC000657386524 462089188 /nfs/dbraw/zinc/08/91/88/462089188.db2.gz HOCNFSHEFFALHJ-LAUBAEHRSA-N 2 1 338.499 3.293 20 0 EGADMP OCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000648446440 462122066 /nfs/dbraw/zinc/12/20/66/462122066.db2.gz OXMLDBBDQPTOMA-QFBILLFUSA-N 2 1 336.907 3.098 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000640099032 462257425 /nfs/dbraw/zinc/25/74/25/462257425.db2.gz HCOZTVKOMMTARY-AABGKKOBSA-N 2 1 325.456 3.306 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000651692850 462305010 /nfs/dbraw/zinc/30/50/10/462305010.db2.gz UNUNXNGCURKVHM-GOSISDBHSA-N 2 1 326.488 3.311 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000651692850 462305014 /nfs/dbraw/zinc/30/50/14/462305014.db2.gz UNUNXNGCURKVHM-GOSISDBHSA-N 2 1 326.488 3.311 20 0 EGADMP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000657891509 462309872 /nfs/dbraw/zinc/30/98/72/462309872.db2.gz ZWFBMXVUQPPHKC-XODKDNOYSA-N 2 1 328.500 3.038 20 0 EGADMP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000657891509 462309879 /nfs/dbraw/zinc/30/98/79/462309879.db2.gz ZWFBMXVUQPPHKC-XODKDNOYSA-N 2 1 328.500 3.038 20 0 EGADMP CC(C)Cc1ccc([C@@H](C)[C@H](C)[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC000657944107 462324492 /nfs/dbraw/zinc/32/44/92/462324492.db2.gz YQOSWEGWVBWZLD-ROUUACIJSA-N 2 1 332.532 3.423 20 0 EGADMP N[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000665240570 462364567 /nfs/dbraw/zinc/36/45/67/462364567.db2.gz NTNMIYKQGLAFIN-NHCUHLMSSA-N 2 1 336.483 3.028 20 0 EGADMP CC[C@H](C)CN(CC)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000654855890 462404325 /nfs/dbraw/zinc/40/43/25/462404325.db2.gz LCKAYVYBXWQTCN-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658211858 462431449 /nfs/dbraw/zinc/43/14/49/462431449.db2.gz HRCQWAAUWLFQFX-VQIMIIECSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658211858 462431453 /nfs/dbraw/zinc/43/14/53/462431453.db2.gz HRCQWAAUWLFQFX-VQIMIIECSA-N 2 1 338.499 3.298 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652141004 462447287 /nfs/dbraw/zinc/44/72/87/462447287.db2.gz CCXKGOOEPXSYSK-GOEBONIOSA-N 2 1 336.476 3.095 20 0 EGADMP C(=C\C[N@H+]1CC[C@@H](c2cccnc2)C1)\C[NH+]1CC[C@H](c2cccnc2)C1 ZINC000645983217 462488454 /nfs/dbraw/zinc/48/84/54/462488454.db2.gz BBBFPWDJYZDHMS-LJLUTMTPSA-N 2 1 348.494 3.312 20 0 EGADMP C(=C\C[N@@H+]1CC[C@H](c2cccnc2)C1)\C[NH+]1CC[C@@H](c2cccnc2)C1 ZINC000645983217 462488458 /nfs/dbraw/zinc/48/84/58/462488458.db2.gz BBBFPWDJYZDHMS-LJLUTMTPSA-N 2 1 348.494 3.312 20 0 EGADMP C(=C\C[N@H+]1CC[C@H](c2cccnc2)C1)\C[NH+]1CC[C@@H](c2cccnc2)C1 ZINC000645983217 462488464 /nfs/dbraw/zinc/48/84/64/462488464.db2.gz BBBFPWDJYZDHMS-LJLUTMTPSA-N 2 1 348.494 3.312 20 0 EGADMP Fc1ccc(CN2CCC[N@@H+](CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000649411444 462502623 /nfs/dbraw/zinc/50/26/23/462502623.db2.gz YKBGDAYGCHPMET-UHFFFAOYSA-N 2 1 333.495 3.113 20 0 EGADMP Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000649418542 462504403 /nfs/dbraw/zinc/50/44/03/462504403.db2.gz UWFUPHHIYLHGJY-DLBZAZTESA-N 2 1 325.456 3.472 20 0 EGADMP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000662161103 462533256 /nfs/dbraw/zinc/53/32/56/462533256.db2.gz RPIQFHUFNXKYQT-JOCHJYFZSA-N 2 1 336.479 3.385 20 0 EGADMP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000662161103 462533258 /nfs/dbraw/zinc/53/32/58/462533258.db2.gz RPIQFHUFNXKYQT-JOCHJYFZSA-N 2 1 336.479 3.385 20 0 EGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(NC[C@H]2CCC[C@@H]([NH3+])C2)cc[nH+]1 ZINC000514593856 467941894 /nfs/dbraw/zinc/94/18/94/467941894.db2.gz YZWDZINAVWMIGX-DFGXFYAUSA-N 2 1 347.507 3.022 20 0 EGADMP COC(=O)C1CC[NH+](CCCNc2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000603283733 469335887 /nfs/dbraw/zinc/33/58/87/469335887.db2.gz NDBPKFSOYFHIRC-UHFFFAOYSA-N 2 1 333.476 3.066 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)CC3 ZINC000547310339 518162830 /nfs/dbraw/zinc/16/28/30/518162830.db2.gz LGQVBWCPNGCANY-HNNXBMFYSA-N 2 1 341.499 3.498 20 0 EGADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c(C)n1 ZINC000165304828 534751334 /nfs/dbraw/zinc/75/13/34/534751334.db2.gz AKYVZRMTANKNMY-OXJNMPFZSA-N 2 1 338.499 3.309 20 0 EGADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(C)n1 ZINC000165304828 534751339 /nfs/dbraw/zinc/75/13/39/534751339.db2.gz AKYVZRMTANKNMY-OXJNMPFZSA-N 2 1 338.499 3.309 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1nccnc1C ZINC000187783046 528154705 /nfs/dbraw/zinc/15/47/05/528154705.db2.gz JOXRTWRNUHFOCI-KRWDZBQOSA-N 2 1 342.487 3.356 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000187119091 528195252 /nfs/dbraw/zinc/19/52/52/528195252.db2.gz BLXJVJMHGHFQJQ-QGZVFWFLSA-N 2 1 328.859 3.319 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000187119091 528195257 /nfs/dbraw/zinc/19/52/57/528195257.db2.gz BLXJVJMHGHFQJQ-QGZVFWFLSA-N 2 1 328.859 3.319 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2cccc(C)c2)[C@H](C)C1 ZINC000178706698 528664654 /nfs/dbraw/zinc/66/46/54/528664654.db2.gz LRSAFFAMMSSSHL-UYAOXDASSA-N 2 1 334.504 3.100 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)c2cc(F)ccc2F)CC1 ZINC000191454071 529040178 /nfs/dbraw/zinc/04/01/78/529040178.db2.gz SYJUFRDGHTZFFR-MRXNPFEDSA-N 2 1 339.474 3.374 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000246854843 534949804 /nfs/dbraw/zinc/94/98/04/534949804.db2.gz CRGOLICRHGGMCK-SJORKVTESA-N 2 1 329.488 3.196 20 0 EGADMP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000236915655 535849148 /nfs/dbraw/zinc/84/91/48/535849148.db2.gz FHFQMHUDVRIIQQ-WMLDXEAASA-N 2 1 328.460 3.367 20 0 EGADMP O=C1[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1C1CCCCC1 ZINC000090465233 546657650 /nfs/dbraw/zinc/65/76/50/546657650.db2.gz OMOVRSDDHJANBU-HXUWFJFHSA-N 2 1 347.547 3.307 20 0 EGADMP CCC[NH+]1CCC(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000126766436 546761769 /nfs/dbraw/zinc/76/17/69/546761769.db2.gz IBXNCHFEANJJGI-QGZVFWFLSA-N 2 1 335.561 3.424 20 0 EGADMP COCCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166818529 546989539 /nfs/dbraw/zinc/98/95/39/546989539.db2.gz NMHZYSYXFWQRRK-RBUKOAKNSA-N 2 1 332.488 3.127 20 0 EGADMP COCCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166818529 546989540 /nfs/dbraw/zinc/98/95/40/546989540.db2.gz NMHZYSYXFWQRRK-RBUKOAKNSA-N 2 1 332.488 3.127 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3c[nH]nc3C)CC2)cs1 ZINC000180520721 547057586 /nfs/dbraw/zinc/05/75/86/547057586.db2.gz BXLUOEWJMDGZFZ-CYBMUJFWSA-N 2 1 347.532 3.300 20 0 EGADMP CCc1nn(C)cc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000180633643 547059170 /nfs/dbraw/zinc/05/91/70/547059170.db2.gz CKUYXARJOXYFOL-QGZVFWFLSA-N 2 1 332.536 3.459 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCSc3c(F)cccc32)CCCO1 ZINC000278436852 547362579 /nfs/dbraw/zinc/36/25/79/547362579.db2.gz HFSSEJRVSUGBOI-RHSMWYFYSA-N 2 1 338.492 3.453 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCSc3c(F)cccc32)CCCO1 ZINC000278436852 547362581 /nfs/dbraw/zinc/36/25/81/547362581.db2.gz HFSSEJRVSUGBOI-RHSMWYFYSA-N 2 1 338.492 3.453 20 0 EGADMP CCCn1nccc1CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310064287 547461550 /nfs/dbraw/zinc/46/15/50/547461550.db2.gz AQYIUGJBHZAOBK-IBGZPJMESA-N 2 1 326.488 3.295 20 0 EGADMP CCCn1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310064287 547461559 /nfs/dbraw/zinc/46/15/59/547461559.db2.gz AQYIUGJBHZAOBK-IBGZPJMESA-N 2 1 326.488 3.295 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000344767344 547613556 /nfs/dbraw/zinc/61/35/56/547613556.db2.gz HXZTUAHSEKMSMK-HOTGVXAUSA-N 2 1 346.441 3.436 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)CC1 ZINC000354148134 547703870 /nfs/dbraw/zinc/70/38/70/547703870.db2.gz WNQRCKQHHAVNCN-WLYUNCDWSA-N 2 1 336.442 3.444 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1F ZINC000675882937 548996824 /nfs/dbraw/zinc/99/68/24/548996824.db2.gz VOEJGXJWSOJYTR-RHSMWYFYSA-N 2 1 336.451 3.128 20 0 EGADMP CC[C@H](Cc1cccs1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000675898508 549001202 /nfs/dbraw/zinc/00/12/02/549001202.db2.gz SBOTZUFMADXQMO-UYAOXDASSA-N 2 1 344.524 3.296 20 0 EGADMP CC[C@H](Cc1cccs1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000675898508 549001209 /nfs/dbraw/zinc/00/12/09/549001209.db2.gz SBOTZUFMADXQMO-UYAOXDASSA-N 2 1 344.524 3.296 20 0 EGADMP C([NH+]1CCC[C@@H](C2CC2)C1)C1(C[N@H+]2CCC[C@@H](C3CC3)C2)COC1 ZINC000677040853 549197616 /nfs/dbraw/zinc/19/76/16/549197616.db2.gz ZJKHVDHEFCSTHB-WOJBJXKFSA-N 2 1 332.532 3.247 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000678281985 549459242 /nfs/dbraw/zinc/45/92/42/549459242.db2.gz KOVDDQAVDJOLLQ-RTBURBONSA-N 2 1 334.529 3.487 20 0 EGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000678295659 549463504 /nfs/dbraw/zinc/46/35/04/549463504.db2.gz MZWSVUMQEDHWIS-UHFFFAOYSA-N 2 1 344.499 3.164 20 0 EGADMP C[N@@H+](Cc1cc2ccccc2o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678722100 549548623 /nfs/dbraw/zinc/54/86/23/549548623.db2.gz TXKLYLAHTVRHBR-GOSISDBHSA-N 2 1 327.472 3.033 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000678765899 549556701 /nfs/dbraw/zinc/55/67/01/549556701.db2.gz IQQLDSNGJRPBGX-GHTZIAJQSA-N 2 1 329.532 3.317 20 0 EGADMP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000678772245 549558176 /nfs/dbraw/zinc/55/81/76/549558176.db2.gz VXAHVOADUOLYDX-ICSRJNTNSA-N 2 1 332.463 3.436 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)[C@@H](C)C2 ZINC000679341890 549692505 /nfs/dbraw/zinc/69/25/05/549692505.db2.gz JXOBGDVCGGADIC-NBHGPNQESA-N 2 1 328.500 3.461 20 0 EGADMP Fc1ccc2c(c1)OCCC[C@@H]2NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000679770326 549774150 /nfs/dbraw/zinc/77/41/50/549774150.db2.gz MOZFPSYGDXOTMC-MJGOQNOKSA-N 2 1 348.462 3.272 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000683358842 550221703 /nfs/dbraw/zinc/22/17/03/550221703.db2.gz BFJOZAVUDLUMPD-HXUWFJFHSA-N 3 1 345.531 3.077 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000683358842 550221706 /nfs/dbraw/zinc/22/17/06/550221706.db2.gz BFJOZAVUDLUMPD-HXUWFJFHSA-N 3 1 345.531 3.077 20 0 EGADMP C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684147933 550296354 /nfs/dbraw/zinc/29/63/54/550296354.db2.gz AQYHMZHJEBTFJZ-QUCCMNQESA-N 2 1 346.515 3.287 20 0 EGADMP C[N@@H+](Cc1cc2cc(F)ccc2o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457939 550418746 /nfs/dbraw/zinc/41/87/46/550418746.db2.gz UGBKNCUQUNFQCL-GOSISDBHSA-N 2 1 345.462 3.172 20 0 EGADMP C[N@H+](CC1CC[NH+](C)CC1)Cn1ccn(Cc2ccccc2)c1=S ZINC000728906923 574785695 /nfs/dbraw/zinc/78/56/95/574785695.db2.gz MKWFMIPMFDXHFC-UHFFFAOYSA-N 2 1 344.528 3.298 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1ccn(Cc2ccccc2)c1=S ZINC000728906923 574785696 /nfs/dbraw/zinc/78/56/96/574785696.db2.gz MKWFMIPMFDXHFC-UHFFFAOYSA-N 2 1 344.528 3.298 20 0 EGADMP COc1ccc(CC[N@H+](C[C@H](O)C[NH+]2CCCC2)CC(C)(C)C)cc1 ZINC000734639388 575535696 /nfs/dbraw/zinc/53/56/96/575535696.db2.gz LYRPPHIAFWCTLY-LJQANCHMSA-N 2 1 348.531 3.043 20 0 EGADMP COc1ccc(CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC(C)(C)C)cc1 ZINC000734639388 575535697 /nfs/dbraw/zinc/53/56/97/575535697.db2.gz LYRPPHIAFWCTLY-LJQANCHMSA-N 2 1 348.531 3.043 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3cc(OC)ccc23)C[C@H]1C ZINC000740886105 576633760 /nfs/dbraw/zinc/63/37/60/576633760.db2.gz GNFHJFLPOYDVNQ-ZBFHGGJFSA-N 2 1 344.455 3.106 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3cc(OC)ccc23)C[C@H]1C ZINC000740886105 576633761 /nfs/dbraw/zinc/63/37/61/576633761.db2.gz GNFHJFLPOYDVNQ-ZBFHGGJFSA-N 2 1 344.455 3.106 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(=O)oc3cc(OC)ccc23)C[C@H]1C ZINC000740886105 576633765 /nfs/dbraw/zinc/63/37/65/576633765.db2.gz GNFHJFLPOYDVNQ-ZBFHGGJFSA-N 2 1 344.455 3.106 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(=O)oc3cc(OC)ccc23)C[C@H]1C ZINC000740886105 576633768 /nfs/dbraw/zinc/63/37/68/576633768.db2.gz GNFHJFLPOYDVNQ-ZBFHGGJFSA-N 2 1 344.455 3.106 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000010435418 1291114163 /nfs/dbraw/zinc/11/41/63/1291114163.db2.gz ADCVAHDZXJLQQU-UHFFFAOYSA-N 2 1 338.451 3.212 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(Cl)s3)cc2)CC1 ZINC000069785359 1292252553 /nfs/dbraw/zinc/25/25/53/1292252553.db2.gz WHHMDGAZUSOMHL-UHFFFAOYSA-N 2 1 349.931 3.439 20 0 EGADMP Cc1cc(C[NH2+]CCC[NH+](C)C)cc(C)c1OCc1ccccn1 ZINC000075733884 1292408059 /nfs/dbraw/zinc/40/80/59/1292408059.db2.gz HMZVONWOOUHYHE-UHFFFAOYSA-N 2 1 327.472 3.319 20 0 EGADMP CC(C)C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000076612030 1292434715 /nfs/dbraw/zinc/43/47/15/1292434715.db2.gz KTEJXQFGIOOSQK-UHFFFAOYSA-N 2 1 343.515 3.019 20 0 EGADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N(C)CCCC[NH+](C)C)c1 ZINC000081790714 1292673502 /nfs/dbraw/zinc/67/35/02/1292673502.db2.gz MLRZPWSOCDONLB-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1F ZINC000086238425 1292731604 /nfs/dbraw/zinc/73/16/04/1292731604.db2.gz NZTPUOPEJZVNBP-INIZCTEOSA-N 2 1 347.478 3.480 20 0 EGADMP Cc1cccc(C)c1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000091057687 1292810491 /nfs/dbraw/zinc/81/04/91/1292810491.db2.gz RBJNDFCIMAVSEZ-UHFFFAOYSA-N 2 1 337.511 3.341 20 0 EGADMP CCc1nn(C)cc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000092396613 1292866316 /nfs/dbraw/zinc/86/63/16/1292866316.db2.gz XAVBOGXLJVWLRH-KDOFPFPSSA-N 2 1 332.517 3.217 20 0 EGADMP CCc1nn(C)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000092396613 1292866325 /nfs/dbraw/zinc/86/63/25/1292866325.db2.gz XAVBOGXLJVWLRH-KDOFPFPSSA-N 2 1 332.517 3.217 20 0 EGADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc(Cl)c1OC ZINC000108428870 1293080925 /nfs/dbraw/zinc/08/09/25/1293080925.db2.gz ONYCUDYVZNDHLX-ZDUSSCGKSA-N 2 1 326.868 3.179 20 0 EGADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc(Cl)c1OC ZINC000108428870 1293080935 /nfs/dbraw/zinc/08/09/35/1293080935.db2.gz ONYCUDYVZNDHLX-ZDUSSCGKSA-N 2 1 326.868 3.179 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834530050 1293111751 /nfs/dbraw/zinc/11/17/51/1293111751.db2.gz AAWNIIDUKTURCJ-IXDOHACOSA-N 2 1 339.524 3.096 20 0 EGADMP Cc1n[nH]cc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000120986862 1293350179 /nfs/dbraw/zinc/35/01/79/1293350179.db2.gz RQFKMUUTTQNYPX-IYBDPMFKSA-N 2 1 326.488 3.486 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000131197833 1293683316 /nfs/dbraw/zinc/68/33/16/1293683316.db2.gz PGLLWDKQBQVGST-UHFFFAOYSA-N 2 1 336.439 3.105 20 0 EGADMP CCn1cc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000153560588 1294019163 /nfs/dbraw/zinc/01/91/63/1294019163.db2.gz OGQCOFSIKZJOLP-IRXDYDNUSA-N 2 1 326.488 3.149 20 0 EGADMP Cc1ccc2ncc(C[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)n2c1 ZINC000156472856 1294145472 /nfs/dbraw/zinc/14/54/72/1294145472.db2.gz SCNPMYWGKAQHOD-FQEVSTJZSA-N 2 1 348.494 3.297 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000156599816 1294151372 /nfs/dbraw/zinc/15/13/72/1294151372.db2.gz QGYFMUKGXBLUBK-VXLLPVPCSA-N 2 1 339.524 3.142 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000160121139 1294259369 /nfs/dbraw/zinc/25/93/69/1294259369.db2.gz IVGYENDRJZNVAD-KRWDZBQOSA-N 2 1 332.536 3.041 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000160121139 1294259373 /nfs/dbraw/zinc/25/93/73/1294259373.db2.gz IVGYENDRJZNVAD-KRWDZBQOSA-N 2 1 332.536 3.041 20 0 EGADMP CCC[C@H]1CC(=O)N(C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000173337655 1294459458 /nfs/dbraw/zinc/45/94/58/1294459458.db2.gz WUHFNCVNTYIPGO-IBGZPJMESA-N 2 1 331.504 3.176 20 0 EGADMP CCC[C@H]1CC(=O)N(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000173337655 1294459462 /nfs/dbraw/zinc/45/94/62/1294459462.db2.gz WUHFNCVNTYIPGO-IBGZPJMESA-N 2 1 331.504 3.176 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000178706009 1294752071 /nfs/dbraw/zinc/75/20/71/1294752071.db2.gz PZLOIBVFFVJLCE-CVEARBPZSA-N 2 1 340.471 3.305 20 0 EGADMP C[C@H]1CCC[C@](C[NH2+]C2CCN(CC(F)(F)F)CC2)([NH+](C)C)C1 ZINC000237545827 1296250557 /nfs/dbraw/zinc/25/05/57/1296250557.db2.gz UVMNUIBZLJPXAV-HOCLYGCPSA-N 2 1 335.458 3.113 20 0 EGADMP O[C@@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1)C[NH+]1CCCC1 ZINC000238064699 1296277741 /nfs/dbraw/zinc/27/77/41/1296277741.db2.gz WRTJTGAPKOLVNI-INIZCTEOSA-N 2 1 334.460 3.101 20 0 EGADMP CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245823086 1296325965 /nfs/dbraw/zinc/32/59/65/1296325965.db2.gz FBLUAQKZYQIYNR-MSOLQXFVSA-N 2 1 348.535 3.006 20 0 EGADMP CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245823086 1296325976 /nfs/dbraw/zinc/32/59/76/1296325976.db2.gz FBLUAQKZYQIYNR-MSOLQXFVSA-N 2 1 348.535 3.006 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)[C@@H](C)C1 ZINC000246858117 1296374468 /nfs/dbraw/zinc/37/44/68/1296374468.db2.gz CJAWPYVOGDBSJK-UWJYYQICSA-N 2 1 344.547 3.041 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ncccc2C(F)(F)F)C[C@H]1c1ccccc1 ZINC000261669679 1296597027 /nfs/dbraw/zinc/59/70/27/1296597027.db2.gz JBJGWMYGMSVKDV-CABCVRRESA-N 2 1 335.373 3.275 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ncccc2C(F)(F)F)C[C@H]1c1ccccc1 ZINC000261669679 1296597034 /nfs/dbraw/zinc/59/70/34/1296597034.db2.gz JBJGWMYGMSVKDV-CABCVRRESA-N 2 1 335.373 3.275 20 0 EGADMP CC1(C)C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc2S1 ZINC000872029073 1296677999 /nfs/dbraw/zinc/67/79/99/1296677999.db2.gz VNAJPXPCGSVUCJ-KRWDZBQOSA-N 2 1 334.529 3.439 20 0 EGADMP CNC(=O)c1ccc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000872156224 1296777683 /nfs/dbraw/zinc/77/76/83/1296777683.db2.gz GKFLFDQLXKBCCW-XLIONFOSSA-N 2 1 343.515 3.166 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000300367890 1296781495 /nfs/dbraw/zinc/78/14/95/1296781495.db2.gz NLMXJHULBDMERA-CVEARBPZSA-N 2 1 327.513 3.142 20 0 EGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)C(C)C ZINC000309909225 1297077395 /nfs/dbraw/zinc/07/73/95/1297077395.db2.gz TVZWGHQXRXAMQC-DLBZAZTESA-N 2 1 341.540 3.388 20 0 EGADMP C[C@@]1(CNC2CC[NH+](C3CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310303927 1297091341 /nfs/dbraw/zinc/09/13/41/1297091341.db2.gz UZYCJJAZAOGZLV-NRFANRHFSA-N 2 1 327.516 3.115 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)[C@H](n2cncn2)C1 ZINC000340465266 1297313151 /nfs/dbraw/zinc/31/31/51/1297313151.db2.gz HJWAVMVDHSIVHN-ZJPYXAASSA-N 2 1 333.524 3.108 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)[C@H](n2cncn2)C1 ZINC000340465266 1297313165 /nfs/dbraw/zinc/31/31/65/1297313165.db2.gz HJWAVMVDHSIVHN-ZJPYXAASSA-N 2 1 333.524 3.108 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000873260189 1297394853 /nfs/dbraw/zinc/39/48/53/1297394853.db2.gz UTRAZIISIQOZGM-LELZANKISA-N 3 1 327.516 3.160 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000873260189 1297394862 /nfs/dbraw/zinc/39/48/62/1297394862.db2.gz UTRAZIISIQOZGM-LELZANKISA-N 3 1 327.516 3.160 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386046402 1297586859 /nfs/dbraw/zinc/58/68/59/1297586859.db2.gz UKTYOBHOUSREJA-IXDOHACOSA-N 2 1 341.540 3.483 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386046402 1297586862 /nfs/dbraw/zinc/58/68/62/1297586862.db2.gz UKTYOBHOUSREJA-IXDOHACOSA-N 2 1 341.540 3.483 20 0 EGADMP C[N@@H+](CCC[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)Cc1ccccc1 ZINC000393652206 1297671467 /nfs/dbraw/zinc/67/14/67/1297671467.db2.gz DSDFGMGMAHEHPL-UHFFFAOYSA-N 2 1 347.503 3.154 20 0 EGADMP C[N@H+](C[C@H](O)c1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394231812 1297676970 /nfs/dbraw/zinc/67/69/70/1297676970.db2.gz MMZYQDCBPQMRPD-WFVVYAPDSA-N 2 1 342.405 3.296 20 0 EGADMP C[N@@H+](C[C@H](O)c1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394231812 1297676981 /nfs/dbraw/zinc/67/69/81/1297676981.db2.gz MMZYQDCBPQMRPD-WFVVYAPDSA-N 2 1 342.405 3.296 20 0 EGADMP C[NH+](C[C@H](O)c1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394231812 1297676991 /nfs/dbraw/zinc/67/69/91/1297676991.db2.gz MMZYQDCBPQMRPD-WFVVYAPDSA-N 2 1 342.405 3.296 20 0 EGADMP C[NH+](C[C@H](O)c1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394231812 1297677000 /nfs/dbraw/zinc/67/70/00/1297677000.db2.gz MMZYQDCBPQMRPD-WFVVYAPDSA-N 2 1 342.405 3.296 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cccnc3CC2)[C@H](C)C1 ZINC000421829260 1297792809 /nfs/dbraw/zinc/79/28/09/1297792809.db2.gz HHRSJCGXZJRSRZ-HOJAQTOUSA-N 2 1 345.531 3.056 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000693860823 1298153339 /nfs/dbraw/zinc/15/33/39/1298153339.db2.gz GPSSXXNMHKZLRQ-HOTGVXAUSA-N 2 1 339.524 3.238 20 0 EGADMP COc1cncc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000700073079 1298174890 /nfs/dbraw/zinc/17/48/90/1298174890.db2.gz TXKAAMMGOPWZPO-QFBILLFUSA-N 2 1 325.456 3.233 20 0 EGADMP COc1cncc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000700073079 1298174897 /nfs/dbraw/zinc/17/48/97/1298174897.db2.gz TXKAAMMGOPWZPO-QFBILLFUSA-N 2 1 325.456 3.233 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000700806220 1298180571 /nfs/dbraw/zinc/18/05/71/1298180571.db2.gz XWQDVTFGIZWBHO-KLAILNCOSA-N 2 1 339.524 3.144 20 0 EGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702621024 1298195641 /nfs/dbraw/zinc/19/56/41/1298195641.db2.gz BNIMTOBVQWVQQL-YFVAEKQCSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702621024 1298195649 /nfs/dbraw/zinc/19/56/49/1298195649.db2.gz BNIMTOBVQWVQQL-YFVAEKQCSA-N 2 1 330.516 3.428 20 0 EGADMP CC1(C)OC[C@H](C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)O1 ZINC000715098080 1298276355 /nfs/dbraw/zinc/27/63/55/1298276355.db2.gz YGONHCAZXWGJGU-MOPGFXCFSA-N 2 1 332.488 3.030 20 0 EGADMP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000721248575 1298332886 /nfs/dbraw/zinc/33/28/86/1298332886.db2.gz KLUHEUHXVHBUOK-PWRODBHTSA-N 2 1 346.515 3.215 20 0 EGADMP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000721248575 1298332898 /nfs/dbraw/zinc/33/28/98/1298332898.db2.gz KLUHEUHXVHBUOK-PWRODBHTSA-N 2 1 346.515 3.215 20 0 EGADMP CCCn1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)nn1 ZINC000876681785 1298916856 /nfs/dbraw/zinc/91/68/56/1298916856.db2.gz AFCREDPYSIMNGU-UHFFFAOYSA-N 2 1 341.503 3.032 20 0 EGADMP CCCn1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nn1 ZINC000876681785 1298916861 /nfs/dbraw/zinc/91/68/61/1298916861.db2.gz AFCREDPYSIMNGU-UHFFFAOYSA-N 2 1 341.503 3.032 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000876708233 1298932499 /nfs/dbraw/zinc/93/24/99/1298932499.db2.gz IUONNVNKQBQFLQ-DNVCBOLYSA-N 2 1 347.478 3.337 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000878198468 1299818919 /nfs/dbraw/zinc/81/89/19/1299818919.db2.gz XGGNGJVBXRIYTR-QRQLOZEOSA-N 2 1 329.488 3.128 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000878198468 1299818925 /nfs/dbraw/zinc/81/89/25/1299818925.db2.gz XGGNGJVBXRIYTR-QRQLOZEOSA-N 2 1 329.488 3.128 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000878198468 1299818930 /nfs/dbraw/zinc/81/89/30/1299818930.db2.gz XGGNGJVBXRIYTR-QRQLOZEOSA-N 2 1 329.488 3.128 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000878198468 1299818937 /nfs/dbraw/zinc/81/89/37/1299818937.db2.gz XGGNGJVBXRIYTR-QRQLOZEOSA-N 2 1 329.488 3.128 20 0 EGADMP C[N@H+](Cc1ccccc1NC(=O)C[NH+]1CCCC1)C1CCCCC1 ZINC000753882553 1300035754 /nfs/dbraw/zinc/03/57/54/1300035754.db2.gz BMAKJPXJUSLQHX-UHFFFAOYSA-N 2 1 329.488 3.485 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)C[NH+]1CCCC1)C1CCCCC1 ZINC000753882553 1300035763 /nfs/dbraw/zinc/03/57/63/1300035763.db2.gz BMAKJPXJUSLQHX-UHFFFAOYSA-N 2 1 329.488 3.485 20 0 EGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000756105073 1300440009 /nfs/dbraw/zinc/44/00/09/1300440009.db2.gz YFHUTPATJROWGT-UHFFFAOYSA-N 2 1 336.480 3.249 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000756105073 1300440013 /nfs/dbraw/zinc/44/00/13/1300440013.db2.gz YFHUTPATJROWGT-UHFFFAOYSA-N 2 1 336.480 3.249 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](CCc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000879579354 1300613333 /nfs/dbraw/zinc/61/33/33/1300613333.db2.gz ZQACLXHKOJLTSV-GOEBONIOSA-N 2 1 328.378 3.154 20 0 EGADMP C[N@H+]1CC[C@H]2C[NH+](CCc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000879579354 1300613342 /nfs/dbraw/zinc/61/33/42/1300613342.db2.gz ZQACLXHKOJLTSV-GOEBONIOSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@H]2C[N@H+](CCc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000879579354 1300613351 /nfs/dbraw/zinc/61/33/51/1300613351.db2.gz ZQACLXHKOJLTSV-GOEBONIOSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000879579354 1300613361 /nfs/dbraw/zinc/61/33/61/1300613361.db2.gz ZQACLXHKOJLTSV-GOEBONIOSA-N 2 1 328.378 3.154 20 0 EGADMP CC1([NH+]2CCC2)CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000880472726 1301135876 /nfs/dbraw/zinc/13/58/76/1301135876.db2.gz ZRBCKGHUOLJLHF-UHFFFAOYSA-N 2 1 335.879 3.229 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Br)cc2F)CC[N@H+]1C ZINC000765872601 1302343046 /nfs/dbraw/zinc/34/30/46/1302343046.db2.gz XKVBIXFGOQSBLN-RISCZKNCSA-N 2 1 329.257 3.203 20 0 EGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)CCCO2 ZINC000768106755 1302824937 /nfs/dbraw/zinc/82/49/37/1302824937.db2.gz VJZQDLMRYRHLCH-PMACEKPBSA-N 2 1 346.515 3.289 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1N(C)C ZINC000769687345 1303158856 /nfs/dbraw/zinc/15/88/56/1303158856.db2.gz FZWBHFXJPGUCAT-AEFFLSMTSA-N 2 1 331.504 3.047 20 0 EGADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)[C@H](C)c3ccccc3)CC2)[nH+]c1C ZINC000886661637 1303542633 /nfs/dbraw/zinc/54/26/33/1303542633.db2.gz ZGYLQWIVFOIGBL-KUHUBIRLSA-N 2 1 327.472 3.371 20 0 EGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000887133382 1303686115 /nfs/dbraw/zinc/68/61/15/1303686115.db2.gz ZQPDIBYPHWGTFE-HNNXBMFYSA-N 2 1 334.423 3.046 20 0 EGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)c1cc2ccccc2o1 ZINC000887134140 1303686348 /nfs/dbraw/zinc/68/63/48/1303686348.db2.gz CSBXEVIRSHPNQB-MAUKXSAKSA-N 2 1 337.423 3.072 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCN(c4cc[nH+]cc4)C[C@@H]3C)cc(=O)oc2c1 ZINC000887133224 1303686480 /nfs/dbraw/zinc/68/64/80/1303686480.db2.gz WQEDCAXOCBOTRI-INIZCTEOSA-N 2 1 349.434 3.207 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CCN(c4cc[nH+]cc4)C[C@@H]3C)cc(=O)oc2c1 ZINC000887133224 1303686485 /nfs/dbraw/zinc/68/64/85/1303686485.db2.gz WQEDCAXOCBOTRI-INIZCTEOSA-N 2 1 349.434 3.207 20 0 EGADMP C[N@@H+](CCC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)Cc1ccccc1 ZINC000775367079 1303946913 /nfs/dbraw/zinc/94/69/13/1303946913.db2.gz VUVMKAZUSDLENF-KZNAEPCWSA-N 2 1 336.570 3.478 20 0 EGADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000776851245 1304211015 /nfs/dbraw/zinc/21/10/15/1304211015.db2.gz JYLRTOLQJGLNBV-XRXFAXGQSA-N 2 1 328.500 3.101 20 0 EGADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000776851245 1304211022 /nfs/dbraw/zinc/21/10/22/1304211022.db2.gz JYLRTOLQJGLNBV-XRXFAXGQSA-N 2 1 328.500 3.101 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](CN2CC3(CCCC3)OC2=O)CC1 ZINC000778572457 1304468434 /nfs/dbraw/zinc/46/84/34/1304468434.db2.gz FHMPVTABIDFMEM-UHFFFAOYSA-N 2 1 337.508 3.153 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CN2CC3(CCCC3)OC2=O)CC1 ZINC000778572457 1304468439 /nfs/dbraw/zinc/46/84/39/1304468439.db2.gz FHMPVTABIDFMEM-UHFFFAOYSA-N 2 1 337.508 3.153 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000781198693 1304788429 /nfs/dbraw/zinc/78/84/29/1304788429.db2.gz DHRRGQWGBNRIMB-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781198693 1304788435 /nfs/dbraw/zinc/78/84/35/1304788435.db2.gz DHRRGQWGBNRIMB-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781198693 1304788440 /nfs/dbraw/zinc/78/84/40/1304788440.db2.gz DHRRGQWGBNRIMB-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH]n1 ZINC000781422960 1304826487 /nfs/dbraw/zinc/82/64/87/1304826487.db2.gz NVFOZCCUWBVPKI-IOMROCGXSA-N 2 1 338.499 3.362 20 0 EGADMP CCOCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000783488811 1305098112 /nfs/dbraw/zinc/09/81/12/1305098112.db2.gz IVERPEMSKMBNEU-LJQANCHMSA-N 2 1 332.488 3.367 20 0 EGADMP CCOCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000783488811 1305098117 /nfs/dbraw/zinc/09/81/17/1305098117.db2.gz IVERPEMSKMBNEU-LJQANCHMSA-N 2 1 332.488 3.367 20 0 EGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@H](O)c2c(F)cccc2Cl)CC1 ZINC000783573741 1305111047 /nfs/dbraw/zinc/11/10/47/1305111047.db2.gz OQWRKWFAMJOVJW-PXAZEXFGSA-N 2 1 328.859 3.363 20 0 EGADMP C[C@H](C[NH2+]Cc1cnc(CC(F)(F)F)s1)C[NH+]1CCCCC1 ZINC000892632205 1305480866 /nfs/dbraw/zinc/48/08/66/1305480866.db2.gz KXWNYFYJZHDZJP-GFCCVEGCSA-N 2 1 335.439 3.460 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+](C/C=C/c3cccc(F)c3)CC2)CC1 ZINC000894083278 1306208214 /nfs/dbraw/zinc/20/82/14/1306208214.db2.gz CNFBKMQKLQVJJW-GQCTYLIASA-N 2 1 345.506 3.329 20 0 EGADMP CCn1cc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000894226333 1306288000 /nfs/dbraw/zinc/28/80/00/1306288000.db2.gz IZTHLWJLUXJTSS-HXUWFJFHSA-N 2 1 326.488 3.213 20 0 EGADMP CCn1cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000894226333 1306288009 /nfs/dbraw/zinc/28/80/09/1306288009.db2.gz IZTHLWJLUXJTSS-HXUWFJFHSA-N 2 1 326.488 3.213 20 0 EGADMP COc1ccc(C[N@@H+](CC2CC2)CC2CC[NH+](C)CC2)c(OC)c1 ZINC000894264133 1306308378 /nfs/dbraw/zinc/30/83/78/1306308378.db2.gz AVWIJKPIGOSAAB-UHFFFAOYSA-N 2 1 332.488 3.258 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]C2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000894378188 1306366833 /nfs/dbraw/zinc/36/68/33/1306366833.db2.gz NTDOOTXMFIQADI-UHFFFAOYSA-N 2 1 345.531 3.036 20 0 EGADMP Cc1ncoc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000894445123 1308890819 /nfs/dbraw/zinc/89/08/19/1308890819.db2.gz NCAOJKZBIKTNSN-CEXWTWQISA-N 2 1 325.456 3.373 20 0 EGADMP Cc1ncoc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000894445123 1308890835 /nfs/dbraw/zinc/89/08/35/1308890835.db2.gz NCAOJKZBIKTNSN-CEXWTWQISA-N 2 1 325.456 3.373 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCO[C@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000894801680 1309079917 /nfs/dbraw/zinc/07/99/17/1309079917.db2.gz YDVGQAMPIIFEGD-RLLQIKCJSA-N 2 1 332.488 3.172 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCO[C@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000894801680 1309079926 /nfs/dbraw/zinc/07/99/26/1309079926.db2.gz YDVGQAMPIIFEGD-RLLQIKCJSA-N 2 1 332.488 3.172 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000895685973 1309465881 /nfs/dbraw/zinc/46/58/81/1309465881.db2.gz PABGUPSTMLHMJY-UHFFFAOYSA-N 2 1 343.515 3.277 20 0 EGADMP Clc1cccc(Cl)c1CCC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000795927840 1309863265 /nfs/dbraw/zinc/86/32/65/1309863265.db2.gz QAQIEGHPJBOSKQ-UONOGXRCSA-N 2 1 343.298 3.379 20 0 EGADMP Clc1cccc(Cl)c1CCC[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000795927840 1309863270 /nfs/dbraw/zinc/86/32/70/1309863270.db2.gz QAQIEGHPJBOSKQ-UONOGXRCSA-N 2 1 343.298 3.379 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000796279852 1309951579 /nfs/dbraw/zinc/95/15/79/1309951579.db2.gz RIPGWQIADWPSCT-GTPINHCMSA-N 2 1 341.540 3.390 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000796279852 1309951583 /nfs/dbraw/zinc/95/15/83/1309951583.db2.gz RIPGWQIADWPSCT-GTPINHCMSA-N 2 1 341.540 3.390 20 0 EGADMP COc1c(C)cc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1Cl ZINC000796702633 1310068176 /nfs/dbraw/zinc/06/81/76/1310068176.db2.gz MBDAORROGKFKAJ-CQSZACIVSA-N 2 1 340.895 3.154 20 0 EGADMP CC(C)(C)OC(=O)NCCC[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000798087940 1310293804 /nfs/dbraw/zinc/29/38/04/1310293804.db2.gz AJSUZSSCZVCZNG-KRWDZBQOSA-N 2 1 339.524 3.288 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000839181195 1320887523 /nfs/dbraw/zinc/88/75/23/1320887523.db2.gz HLGRXAVKKFBYCF-LBPRGKRZSA-N 2 1 341.286 3.463 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000839183203 1320889041 /nfs/dbraw/zinc/88/90/41/1320889041.db2.gz UVGRTUROMDEQKX-MRXNPFEDSA-N 2 1 341.540 3.344 20 0 EGADMP C[NH+](C)CCCC(C)(C)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857278897 1328525945 /nfs/dbraw/zinc/52/59/45/1328525945.db2.gz XBBTWASISZVVLZ-IBGZPJMESA-N 2 1 345.531 3.346 20 0 EGADMP CN(CC[NH+]1CCCCC1)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857297009 1328526746 /nfs/dbraw/zinc/52/67/46/1328526746.db2.gz HWDXVKGKDVEHBZ-HXUWFJFHSA-N 2 1 343.515 3.054 20 0 EGADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)NC[C@@H]3CC[NH+]3C(C)(C)C)c2)C1 ZINC000857303711 1328527574 /nfs/dbraw/zinc/52/75/74/1328527574.db2.gz YUEPEKKPTFRQQW-OALUTQOASA-N 2 1 343.515 3.098 20 0 EGADMP C[NH+]1CCC[C@H](c2cccc(C(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)c2)C1 ZINC000857303711 1328527575 /nfs/dbraw/zinc/52/75/75/1328527575.db2.gz YUEPEKKPTFRQQW-OALUTQOASA-N 2 1 343.515 3.098 20 0 EGADMP C[NH+]1CCC[C@H](c2cccc(C(=O)NC[C@@H]3CC[N@H+]3C(C)(C)C)c2)C1 ZINC000857303711 1328527578 /nfs/dbraw/zinc/52/75/78/1328527578.db2.gz YUEPEKKPTFRQQW-OALUTQOASA-N 2 1 343.515 3.098 20 0 EGADMP C[N@H+]1CCCC[C@H]1CCOC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000801869442 1316958937 /nfs/dbraw/zinc/95/89/37/1316958937.db2.gz CDESQANTPXEKHQ-IBGZPJMESA-N 2 1 330.472 3.314 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001019632515 1317311711 /nfs/dbraw/zinc/31/17/11/1317311711.db2.gz PNNSXTVVQHOJGG-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901291121 1317401131 /nfs/dbraw/zinc/40/11/31/1317401131.db2.gz FJRUDIBKNHCKKO-UXHICEINSA-N 2 1 341.499 3.280 20 0 EGADMP CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)CC1 ZINC000957568272 1317465515 /nfs/dbraw/zinc/46/55/15/1317465515.db2.gz GORLODSPNLRSTR-MOPGFXCFSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)CC1 ZINC000957617687 1317499900 /nfs/dbraw/zinc/49/99/00/1317499900.db2.gz WUAUBZFFCXAMRL-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1)c1ccccc1 ZINC001020143995 1317559105 /nfs/dbraw/zinc/55/91/05/1317559105.db2.gz NJKUSQWBXUAARB-LWYYNNOASA-N 2 1 343.515 3.247 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCCC3)C2)CC[N@H+]1C ZINC001020174859 1317574395 /nfs/dbraw/zinc/57/43/95/1317574395.db2.gz VAPUPKGFJKCNCG-LWYYNNOASA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1)C(C)C ZINC000957720483 1317588374 /nfs/dbraw/zinc/58/83/74/1317588374.db2.gz POYXJTXHQWVPIG-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+](CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1)C(C)C ZINC000957720483 1317588377 /nfs/dbraw/zinc/58/83/77/1317588377.db2.gz POYXJTXHQWVPIG-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+](CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1)C(C)C ZINC000957720483 1317588382 /nfs/dbraw/zinc/58/83/82/1317588382.db2.gz POYXJTXHQWVPIG-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001020239395 1317604901 /nfs/dbraw/zinc/60/49/01/1317604901.db2.gz ZDXLHNDKJUOTJQ-GUDVDZBRSA-N 2 1 335.536 3.066 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1cn(C)nn1 ZINC000902740310 1317611690 /nfs/dbraw/zinc/61/16/90/1317611690.db2.gz RLRORFCYAGQMNJ-INIZCTEOSA-N 2 1 349.482 3.395 20 0 EGADMP COC(=O)c1ccc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c(C)c1 ZINC000902755136 1317612955 /nfs/dbraw/zinc/61/29/55/1317612955.db2.gz LHUIEJHIIMRERG-OAHLLOKOSA-N 2 1 330.472 3.307 20 0 EGADMP CC[N@H+](CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1)C(C)C ZINC000957778174 1317643620 /nfs/dbraw/zinc/64/36/20/1317643620.db2.gz VYYWJCJXQOMGKG-FQEVSTJZSA-N 2 1 345.531 3.258 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1)C(C)C ZINC000957778174 1317643629 /nfs/dbraw/zinc/64/36/29/1317643629.db2.gz VYYWJCJXQOMGKG-FQEVSTJZSA-N 2 1 345.531 3.258 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020340236 1317652156 /nfs/dbraw/zinc/65/21/56/1317652156.db2.gz LLRYKGMHTXNRPN-UFYCRDLUSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc([S@](C)=O)cc1 ZINC000903127953 1317658928 /nfs/dbraw/zinc/65/89/28/1317658928.db2.gz PBQIYELDWJSUPQ-DCLDDOAOSA-N 2 1 332.513 3.232 20 0 EGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903132178 1317660523 /nfs/dbraw/zinc/66/05/23/1317660523.db2.gz NAWTXEPJGGUCMK-TYGFWLQKSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903132178 1317660526 /nfs/dbraw/zinc/66/05/26/1317660526.db2.gz NAWTXEPJGGUCMK-TYGFWLQKSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903132178 1317660527 /nfs/dbraw/zinc/66/05/27/1317660527.db2.gz NAWTXEPJGGUCMK-TYGFWLQKSA-N 2 1 327.516 3.254 20 0 EGADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc(N2CCCC2)n1 ZINC000903172347 1317667223 /nfs/dbraw/zinc/66/72/23/1317667223.db2.gz OYXQVHCYDVMCOJ-CTXDPNEZSA-N 2 1 340.515 3.238 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C2CCOCC2)[C@H](C)C1 ZINC000903244667 1317681396 /nfs/dbraw/zinc/68/13/96/1317681396.db2.gz ARMMGBRCCPFWMB-IEBWSBKVSA-N 2 1 340.552 3.166 20 0 EGADMP Clc1ccc([C@H]2CC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903729436 1317726761 /nfs/dbraw/zinc/72/67/61/1317726761.db2.gz MUTSFFSDVUOIJW-WMZOPIPTSA-N 2 1 334.891 3.288 20 0 EGADMP Clc1ccc([C@@H]2CC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903729435 1317727228 /nfs/dbraw/zinc/72/72/28/1317727228.db2.gz MUTSFFSDVUOIJW-SJLPKXTDSA-N 2 1 334.891 3.288 20 0 EGADMP C[C@@H]1SCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@H]1c1ccccc1 ZINC000903733456 1317727668 /nfs/dbraw/zinc/72/76/68/1317727668.db2.gz KLALLQMBWTYVAR-YTQUADARSA-N 2 1 346.540 3.324 20 0 EGADMP CCc1csc([C@@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903738173 1317728907 /nfs/dbraw/zinc/72/89/07/1317728907.db2.gz YWVIEJKALOBHBP-NVXWUHKLSA-N 2 1 349.544 3.044 20 0 EGADMP C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903735424 1317728928 /nfs/dbraw/zinc/72/89/28/1317728928.db2.gz ZUIKXTLTQZBGEH-YZGWKJHDSA-N 2 1 328.500 3.098 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(C)CC3)C2)C1 ZINC001020500188 1317730714 /nfs/dbraw/zinc/73/07/14/1317730714.db2.gz QKKHGHGQVBGHQN-PWKSQPCKSA-N 2 1 349.563 3.172 20 0 EGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@H]2CCC[C@H](C(F)(F)F)O2)CCC1 ZINC000903811856 1317735920 /nfs/dbraw/zinc/73/59/20/1317735920.db2.gz OSTRCVWGUHLUIY-QLFBSQMISA-N 2 1 334.426 3.470 20 0 EGADMP CCC[N@@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)[C@H]1CCc2ccccc21 ZINC000903883950 1317740290 /nfs/dbraw/zinc/74/02/90/1317740290.db2.gz MVWCQPNVRJFFRV-UTKZUKDTSA-N 2 1 340.515 3.245 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903899427 1317745687 /nfs/dbraw/zinc/74/56/87/1317745687.db2.gz UREFKFUNTBFFKG-WFASDCNBSA-N 2 1 331.838 3.001 20 0 EGADMP CC(C)([NH3+])c1ccc(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000904602101 1317867569 /nfs/dbraw/zinc/86/75/69/1317867569.db2.gz KXECDQYTNPTMQB-SJORKVTESA-N 2 1 330.476 3.019 20 0 EGADMP Cc1c(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)sc2nc(C)nc(C)c12 ZINC000809765068 1317894635 /nfs/dbraw/zinc/89/46/35/1317894635.db2.gz KUASNCDWQHLVCQ-ABAIWWIYSA-N 2 1 332.517 3.389 20 0 EGADMP Cc1c(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)sc2nc(C)nc(C)c12 ZINC000809765068 1317894643 /nfs/dbraw/zinc/89/46/43/1317894643.db2.gz KUASNCDWQHLVCQ-ABAIWWIYSA-N 2 1 332.517 3.389 20 0 EGADMP Cc1c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)sc2nc(C)nc(C)c12 ZINC000809765068 1317894649 /nfs/dbraw/zinc/89/46/49/1317894649.db2.gz KUASNCDWQHLVCQ-ABAIWWIYSA-N 2 1 332.517 3.389 20 0 EGADMP Cc1c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)sc2nc(C)nc(C)c12 ZINC000809765068 1317894655 /nfs/dbraw/zinc/89/46/55/1317894655.db2.gz KUASNCDWQHLVCQ-ABAIWWIYSA-N 2 1 332.517 3.389 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(N2CCCCC2=O)cc1 ZINC000810129033 1317958346 /nfs/dbraw/zinc/95/83/46/1317958346.db2.gz RNPZWPUBJBXGKV-AEFFLSMTSA-N 2 1 329.488 3.338 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCCCC2=O)cc1 ZINC000810262332 1317989549 /nfs/dbraw/zinc/98/95/49/1317989549.db2.gz PBYMVBUNLGFGHW-RYRKJORJSA-N 2 1 329.488 3.337 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCCCC2=O)cc1 ZINC000810262332 1317989553 /nfs/dbraw/zinc/98/95/53/1317989553.db2.gz PBYMVBUNLGFGHW-RYRKJORJSA-N 2 1 329.488 3.337 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(N2CCCCC2=O)cc1 ZINC000810262812 1317989818 /nfs/dbraw/zinc/98/98/18/1317989818.db2.gz XWKQWKHTNDGINT-ILZDJORESA-N 2 1 341.499 3.481 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001020906013 1317991674 /nfs/dbraw/zinc/99/16/74/1317991674.db2.gz CEQKZVMSRVCIFW-VAMGGRTRSA-N 2 1 343.515 3.078 20 0 EGADMP CC[N@H+](CCC1CC[NH+](Cc2cn(C3CC3)nn2)CC1)CC(C)C ZINC000906283013 1318070483 /nfs/dbraw/zinc/07/04/83/1318070483.db2.gz LHNBMSPFGNMLEF-UHFFFAOYSA-N 2 1 333.524 3.193 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cn(C3CC3)nn2)CC1)CC(C)C ZINC000906283013 1318070492 /nfs/dbraw/zinc/07/04/92/1318070492.db2.gz LHNBMSPFGNMLEF-UHFFFAOYSA-N 2 1 333.524 3.193 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(CC)CC ZINC001021273804 1318167650 /nfs/dbraw/zinc/16/76/50/1318167650.db2.gz FZPJFORQFLSGQC-NXEWRWPSSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(CC)CC ZINC001021273804 1318167655 /nfs/dbraw/zinc/16/76/55/1318167655.db2.gz FZPJFORQFLSGQC-NXEWRWPSSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(CC)CC ZINC001021273804 1318167658 /nfs/dbraw/zinc/16/76/58/1318167658.db2.gz FZPJFORQFLSGQC-NXEWRWPSSA-N 2 1 349.563 3.409 20 0 EGADMP CCSc1ccccc1CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000929981776 1328756736 /nfs/dbraw/zinc/75/67/36/1328756736.db2.gz PXDMPDHRVCEQJT-GOSISDBHSA-N 2 1 333.545 3.010 20 0 EGADMP CCSc1ccccc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000929981776 1328756740 /nfs/dbraw/zinc/75/67/40/1328756740.db2.gz PXDMPDHRVCEQJT-GOSISDBHSA-N 2 1 333.545 3.010 20 0 EGADMP CCSc1ccccc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000929981776 1328756742 /nfs/dbraw/zinc/75/67/42/1328756742.db2.gz PXDMPDHRVCEQJT-GOSISDBHSA-N 2 1 333.545 3.010 20 0 EGADMP COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000909020009 1318427590 /nfs/dbraw/zinc/42/75/90/1318427590.db2.gz KNDFJMXVSZQVTD-QUCCMNQESA-N 2 1 332.488 3.069 20 0 EGADMP COc1ccc([C@@H]2CCCCC[N@H+]2C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000909020009 1318427596 /nfs/dbraw/zinc/42/75/96/1318427596.db2.gz KNDFJMXVSZQVTD-QUCCMNQESA-N 2 1 332.488 3.069 20 0 EGADMP CC(C)([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCOCC1 ZINC000812845011 1318470846 /nfs/dbraw/zinc/47/08/46/1318470846.db2.gz QDHHDWGWZSIOQS-UHFFFAOYSA-N 2 1 330.516 3.488 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666567 1318530068 /nfs/dbraw/zinc/53/00/68/1318530068.db2.gz VNTFBVNNLUDWKZ-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491372 1328777835 /nfs/dbraw/zinc/77/78/35/1328777835.db2.gz GHVKAGCBZICMHD-IXDOHACOSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H](Cn1cccn1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813881946 1318650394 /nfs/dbraw/zinc/65/03/94/1318650394.db2.gz XTBXADFDKMPYNO-XSLAUPDRSA-N 2 1 338.499 3.447 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCCCCC2)CCC1 ZINC000960675996 1318787150 /nfs/dbraw/zinc/78/71/50/1318787150.db2.gz BOSCBAPWZAUASR-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000814657833 1318795512 /nfs/dbraw/zinc/79/55/12/1318795512.db2.gz SXHFEQZIQPRATP-NVXWUHKLSA-N 2 1 331.460 3.168 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC000960715819 1318825718 /nfs/dbraw/zinc/82/57/18/1318825718.db2.gz WXUBKSGPVIDUPZ-LJQANCHMSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](CC1CCC1)C[C@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC000960715819 1318825723 /nfs/dbraw/zinc/82/57/23/1318825723.db2.gz WXUBKSGPVIDUPZ-LJQANCHMSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](CC1CCC1)C[C@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC000960715819 1318825733 /nfs/dbraw/zinc/82/57/33/1318825733.db2.gz WXUBKSGPVIDUPZ-LJQANCHMSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001022200979 1318839089 /nfs/dbraw/zinc/83/90/89/1318839089.db2.gz BTLRUFJQPXRFOO-ZCNNSNEGSA-N 2 1 347.547 3.377 20 0 EGADMP CC[NH+](CC)CC1CC[NH+](Cc2ccnc(Br)c2)CC1 ZINC000815020192 1318868577 /nfs/dbraw/zinc/86/85/77/1318868577.db2.gz SQINHOIPPNUBQM-UHFFFAOYSA-N 2 1 340.309 3.398 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001022351052 1318902542 /nfs/dbraw/zinc/90/25/42/1318902542.db2.gz SKBRZSISVGHQNK-RSPOEFSDSA-N 2 1 343.515 3.105 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000960827488 1318953383 /nfs/dbraw/zinc/95/33/83/1318953383.db2.gz ZSPDXPGRLUVQPL-XLIONFOSSA-N 2 1 343.515 3.012 20 0 EGADMP CCc1ccccc1C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC000960882060 1319019613 /nfs/dbraw/zinc/01/96/13/1319019613.db2.gz NCVVUJRTJUQZSL-PMACEKPBSA-N 2 1 345.531 3.012 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1 ZINC000960900296 1319038197 /nfs/dbraw/zinc/03/81/97/1319038197.db2.gz OEFZOQJPGFAJNG-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC000960900296 1319038201 /nfs/dbraw/zinc/03/82/01/1319038201.db2.gz OEFZOQJPGFAJNG-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)c1 ZINC001022717129 1319080557 /nfs/dbraw/zinc/08/05/57/1319080557.db2.gz QVUVDMUJYCVFGF-YTQUADARSA-N 2 1 343.515 3.025 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001022838467 1319132526 /nfs/dbraw/zinc/13/25/26/1319132526.db2.gz PEWJCOVMZPRDHW-IYWMVGAKSA-N 2 1 345.531 3.131 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1)CC1CCC(C)(C)CC1 ZINC000961027866 1319149862 /nfs/dbraw/zinc/14/98/62/1319149862.db2.gz LHVMPSDUEMGZOY-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001023131179 1319275533 /nfs/dbraw/zinc/27/55/33/1319275533.db2.gz ZSRYLULUNJPMMG-CEXWTWQISA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961278997 1319434941 /nfs/dbraw/zinc/43/49/41/1319434941.db2.gz ZPWVNZOLSCJPGV-UXHICEINSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000817927868 1319463606 /nfs/dbraw/zinc/46/36/06/1319463606.db2.gz RPYYWHIMQROISG-IGNZVWTISA-N 2 1 336.838 3.061 20 0 EGADMP COC[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cccc(Cl)c1F ZINC000817948938 1319473687 /nfs/dbraw/zinc/47/36/87/1319473687.db2.gz MOFFMSWAFWSFSX-KRWDZBQOSA-N 2 1 336.838 3.458 20 0 EGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000817957686 1319476302 /nfs/dbraw/zinc/47/63/02/1319476302.db2.gz DQFSVVXZYZFGMX-RDTXWAMCSA-N 2 1 331.460 3.201 20 0 EGADMP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1Cn1cccn1 ZINC000817981672 1319485954 /nfs/dbraw/zinc/48/59/54/1319485954.db2.gz MHUZPFLGXAOEIY-DNVCBOLYSA-N 2 1 342.487 3.108 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001023446565 1319544906 /nfs/dbraw/zinc/54/49/06/1319544906.db2.gz RXPOOUATZUBHKU-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001023446565 1319544913 /nfs/dbraw/zinc/54/49/13/1319544913.db2.gz RXPOOUATZUBHKU-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001023446565 1319544918 /nfs/dbraw/zinc/54/49/18/1319544918.db2.gz RXPOOUATZUBHKU-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC000961410714 1319566326 /nfs/dbraw/zinc/56/63/26/1319566326.db2.gz CUUYVANVGYLIEE-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961410821 1319566617 /nfs/dbraw/zinc/56/66/17/1319566617.db2.gz JKQAAMZLNIDDTG-ICSRJNTNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961410821 1319566622 /nfs/dbraw/zinc/56/66/22/1319566622.db2.gz JKQAAMZLNIDDTG-ICSRJNTNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961410821 1319566628 /nfs/dbraw/zinc/56/66/28/1319566628.db2.gz JKQAAMZLNIDDTG-ICSRJNTNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000818980916 1319601998 /nfs/dbraw/zinc/60/19/98/1319601998.db2.gz PEKLZAFGVVMEOS-LRDDRELGSA-N 2 1 331.287 3.348 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CCC3=CCCCC3)C2)CC1 ZINC001023573190 1319690040 /nfs/dbraw/zinc/69/00/40/1319690040.db2.gz UTFSFEUPCQPTEU-IBGZPJMESA-N 2 1 347.547 3.047 20 0 EGADMP O[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)(F)F ZINC000819326264 1319699159 /nfs/dbraw/zinc/69/91/59/1319699159.db2.gz MMRBLYKAEIYLNF-NPYXIHBLSA-N 2 1 342.405 3.085 20 0 EGADMP O[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)(F)F ZINC000819326264 1319699172 /nfs/dbraw/zinc/69/91/72/1319699172.db2.gz MMRBLYKAEIYLNF-NPYXIHBLSA-N 2 1 342.405 3.085 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000819366542 1319709989 /nfs/dbraw/zinc/70/99/89/1319709989.db2.gz RREVZLFMIQRTMA-CZUORRHYSA-N 2 1 330.394 3.060 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC=C(C)C)C1 ZINC001023696407 1319821600 /nfs/dbraw/zinc/82/16/00/1319821600.db2.gz MLEICTQWJAZIPA-PMACEKPBSA-N 2 1 349.563 3.435 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC=C(C)C)C1 ZINC001023696407 1319821607 /nfs/dbraw/zinc/82/16/07/1319821607.db2.gz MLEICTQWJAZIPA-PMACEKPBSA-N 2 1 349.563 3.435 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001023696407 1319821618 /nfs/dbraw/zinc/82/16/18/1319821618.db2.gz MLEICTQWJAZIPA-PMACEKPBSA-N 2 1 349.563 3.435 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(CC)CC)C[C@H]21 ZINC000962277959 1319897254 /nfs/dbraw/zinc/89/72/54/1319897254.db2.gz ZSHIATKZVREUTR-WCIQWLHISA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(CC)CC)C[C@H]21 ZINC000962277959 1319897268 /nfs/dbraw/zinc/89/72/68/1319897268.db2.gz ZSHIATKZVREUTR-WCIQWLHISA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(CC)CC)C[C@H]21 ZINC000962277959 1319897274 /nfs/dbraw/zinc/89/72/74/1319897274.db2.gz ZSHIATKZVREUTR-WCIQWLHISA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023762118 1319908624 /nfs/dbraw/zinc/90/86/24/1319908624.db2.gz RNIHLXGNGNGMPB-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001023762118 1319908633 /nfs/dbraw/zinc/90/86/33/1319908633.db2.gz RNIHLXGNGNGMPB-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001023762118 1319908638 /nfs/dbraw/zinc/90/86/38/1319908638.db2.gz RNIHLXGNGNGMPB-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP O[C@]1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCSC1 ZINC000820812558 1319958247 /nfs/dbraw/zinc/95/82/47/1319958247.db2.gz NLPSRDAUCNMHJC-NXEWRWPSSA-N 2 1 346.540 3.030 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(Br)ncc1F ZINC000840810381 1321153998 /nfs/dbraw/zinc/15/39/98/1321153998.db2.gz SUBQJEPKFUOMLS-RYUDHWBXSA-N 2 1 344.272 3.366 20 0 EGADMP Cc1cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)nn1C ZINC000840907482 1321174836 /nfs/dbraw/zinc/17/48/36/1321174836.db2.gz ZMXZYWHXHAZABK-UHFFFAOYSA-N 2 1 341.503 3.119 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000841032122 1321204462 /nfs/dbraw/zinc/20/44/62/1321204462.db2.gz MEFNNQVNZKOSAY-AVRDEDQJSA-N 3 1 337.511 3.331 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000841032122 1321204464 /nfs/dbraw/zinc/20/44/64/1321204464.db2.gz MEFNNQVNZKOSAY-AVRDEDQJSA-N 3 1 337.511 3.331 20 0 EGADMP CN(C)c1ccc(N2CCC([NH2+][C@@H](C[NH3+])C3CCCCC3)CC2)cc1 ZINC000841039541 1321206791 /nfs/dbraw/zinc/20/67/91/1321206791.db2.gz SYSGJEPJOMMCRK-NRFANRHFSA-N 2 1 344.547 3.219 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C1 ZINC000841039132 1321206992 /nfs/dbraw/zinc/20/69/92/1321206992.db2.gz BUUNOXIWHCOCID-OWCLPIDISA-N 2 1 346.462 3.241 20 0 EGADMP CC(C)N(C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)C(C)C ZINC000859214059 1328947700 /nfs/dbraw/zinc/94/77/00/1328947700.db2.gz LPFMZFWNJLWPJY-QGZVFWFLSA-N 2 1 333.520 3.214 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1F ZINC000859213904 1328948196 /nfs/dbraw/zinc/94/81/96/1328948196.db2.gz LAAGKXLWTKLQRD-UHFFFAOYSA-N 2 1 343.446 3.266 20 0 EGADMP Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1F ZINC000859213904 1328948201 /nfs/dbraw/zinc/94/82/01/1328948201.db2.gz LAAGKXLWTKLQRD-UHFFFAOYSA-N 2 1 343.446 3.266 20 0 EGADMP COc1ccc([C@H](CC(C)C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000842838426 1321439901 /nfs/dbraw/zinc/43/99/01/1321439901.db2.gz OBDPLMJYLPBSBJ-HOJAQTOUSA-N 2 1 332.488 3.235 20 0 EGADMP COc1ccc([C@H](CC(C)C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000842838426 1321439903 /nfs/dbraw/zinc/43/99/03/1321439903.db2.gz OBDPLMJYLPBSBJ-HOJAQTOUSA-N 2 1 332.488 3.235 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1SC(F)(F)F ZINC000843364960 1321507183 /nfs/dbraw/zinc/50/71/83/1321507183.db2.gz XSSBDGVRJINRIN-CMPLNLGQSA-N 2 1 334.407 3.476 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1SC(F)(F)F ZINC000843364960 1321507185 /nfs/dbraw/zinc/50/71/85/1321507185.db2.gz XSSBDGVRJINRIN-CMPLNLGQSA-N 2 1 334.407 3.476 20 0 EGADMP CCCN(C(=O)C[C@H]([NH3+])C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000844173864 1321576002 /nfs/dbraw/zinc/57/60/02/1321576002.db2.gz BAHXXXQBVKQHCJ-UXHICEINSA-N 2 1 343.515 3.017 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(C(C)(C)C)cc1 ZINC000849057493 1322061503 /nfs/dbraw/zinc/06/15/03/1322061503.db2.gz XGQAYTARIOOCMO-SFHVURJKSA-N 2 1 330.520 3.125 20 0 EGADMP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000849105921 1322080520 /nfs/dbraw/zinc/08/05/20/1322080520.db2.gz IVADTRCKMYVCSC-SFHVURJKSA-N 2 1 344.503 3.106 20 0 EGADMP CCOC(=O)NC1CCC([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000850425397 1322245987 /nfs/dbraw/zinc/24/59/87/1322245987.db2.gz LZRRDOHMWSCXTR-JIZBTBOESA-N 2 1 339.524 3.144 20 0 EGADMP CS[C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000921730544 1322386396 /nfs/dbraw/zinc/38/63/96/1322386396.db2.gz XQLKTUXEVCUHBT-DLBZAZTESA-N 2 1 326.550 3.285 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000922180665 1322473308 /nfs/dbraw/zinc/47/33/08/1322473308.db2.gz FDXJXHPWQYPIJR-IXDOHACOSA-N 2 1 339.524 3.001 20 0 EGADMP CCCC[N@@H+](CCCC(=O)N(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034835 1329034191 /nfs/dbraw/zinc/03/41/91/1329034191.db2.gz YYTZECOCBBRTPX-UHFFFAOYSA-N 2 1 325.541 3.266 20 0 EGADMP CCc1ncc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000923346199 1322738292 /nfs/dbraw/zinc/73/82/92/1322738292.db2.gz WCEMPOGXNMOZQI-MJGOQNOKSA-N 2 1 327.472 3.409 20 0 EGADMP O[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000923363797 1322740710 /nfs/dbraw/zinc/74/07/10/1322740710.db2.gz FVCNVHLGNSBIGW-CSMYWGQOSA-N 2 1 343.298 3.491 20 0 EGADMP O[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000923363797 1322740716 /nfs/dbraw/zinc/74/07/16/1322740716.db2.gz FVCNVHLGNSBIGW-CSMYWGQOSA-N 2 1 343.298 3.491 20 0 EGADMP O[C@H](Cc1ccc2ccccc2c1)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000923363159 1322740863 /nfs/dbraw/zinc/74/08/63/1322740863.db2.gz VQURJSJLCMUALB-BHDDXSALSA-N 2 1 338.495 3.065 20 0 EGADMP C[C@]1(Cc2ccc(Cl)s2)CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000923525996 1322769863 /nfs/dbraw/zinc/76/98/63/1322769863.db2.gz MKOGSIIRFQHMDM-XJKSGUPXSA-N 2 1 340.920 3.320 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024010163 1323077992 /nfs/dbraw/zinc/07/79/92/1323077992.db2.gz HPVKETFSYIABES-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CC(=O)N[C@@H](c1ccccc1F)[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000924629742 1323083622 /nfs/dbraw/zinc/08/36/22/1323083622.db2.gz XHEDIIJXDLGOMR-MGPUTAFESA-N 2 1 349.494 3.101 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(Br)n2)C1 ZINC000924753445 1323145797 /nfs/dbraw/zinc/14/57/97/1323145797.db2.gz PPULUGHYLWKEPG-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(Br)n2)C1 ZINC000924753445 1323145801 /nfs/dbraw/zinc/14/58/01/1323145801.db2.gz PPULUGHYLWKEPG-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@H](NCC1([NH+]2CCCC2)CCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000924970026 1323233394 /nfs/dbraw/zinc/23/33/94/1323233394.db2.gz MSLJFWFKJSLRNX-SFHVURJKSA-N 2 1 345.531 3.044 20 0 EGADMP FC(F)(F)c1cccc([C@H]2CC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)c1 ZINC000852750020 1323236139 /nfs/dbraw/zinc/23/61/39/1323236139.db2.gz LLRPERUKVGLJLT-GOEBONIOSA-N 2 1 340.389 3.016 20 0 EGADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)on1 ZINC000925031032 1323250213 /nfs/dbraw/zinc/25/02/13/1323250213.db2.gz LWLCZXZRYHANGN-OAHLLOKOSA-N 2 1 345.443 3.009 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)Cc3ccccn3)CC2)oc1C ZINC000925037691 1323253334 /nfs/dbraw/zinc/25/33/34/1323253334.db2.gz PAGQSGYJDPMFOK-HNNXBMFYSA-N 2 1 342.487 3.119 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925058306 1323259817 /nfs/dbraw/zinc/25/98/17/1323259817.db2.gz XSNCGOUNVWMNJP-UTKZUKDTSA-N 3 1 345.531 3.042 20 0 EGADMP CS[C@H](CO)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925109360 1323285637 /nfs/dbraw/zinc/28/56/37/1323285637.db2.gz DMFDCSUMUDVTFG-MNIJEXPFSA-N 2 1 348.556 3.274 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024469255 1323424094 /nfs/dbraw/zinc/42/40/94/1323424094.db2.gz QVIHLPFXJWOCJZ-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1=CCCCC1 ZINC001024469255 1323424101 /nfs/dbraw/zinc/42/41/01/1323424101.db2.gz QVIHLPFXJWOCJZ-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1=CCCCC1 ZINC001024469255 1323424108 /nfs/dbraw/zinc/42/41/08/1323424108.db2.gz QVIHLPFXJWOCJZ-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC(CC)CC ZINC001024469709 1323425465 /nfs/dbraw/zinc/42/54/65/1323425465.db2.gz VZOPDYZDOMHSGD-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC(CC)CC ZINC001024469709 1323425469 /nfs/dbraw/zinc/42/54/69/1323425469.db2.gz VZOPDYZDOMHSGD-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC(CC)CC ZINC001024469709 1323425473 /nfs/dbraw/zinc/42/54/73/1323425473.db2.gz VZOPDYZDOMHSGD-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024521074 1323468960 /nfs/dbraw/zinc/46/89/60/1323468960.db2.gz OKDPKEWNQDRGHG-NVXWUHKLSA-N 2 1 342.487 3.273 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024749827 1323653618 /nfs/dbraw/zinc/65/36/18/1323653618.db2.gz HGRNNZZKHZLNRL-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1CCCC1CCC1)[C@@]12CC[NH+](C1)CCC2 ZINC001024780799 1323682667 /nfs/dbraw/zinc/68/26/67/1323682667.db2.gz FDQPEWUEJBXJCS-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(NC[C@H]1CCCC[NH+]1CCCC1CCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001024780799 1323682674 /nfs/dbraw/zinc/68/26/74/1323682674.db2.gz FDQPEWUEJBXJCS-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(NC[C@H]1CCCC[NH+]1CCCC1CCC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001024780799 1323682680 /nfs/dbraw/zinc/68/26/80/1323682680.db2.gz FDQPEWUEJBXJCS-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP C[C@H](F)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814062 1323715381 /nfs/dbraw/zinc/71/53/81/1323715381.db2.gz NWJKMLCBWNBLTC-FUHWJXTLSA-N 2 1 349.494 3.081 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001024962224 1323802199 /nfs/dbraw/zinc/80/21/99/1323802199.db2.gz LWRKOIJWONKHEY-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931429915 1329116271 /nfs/dbraw/zinc/11/62/71/1329116271.db2.gz JQBTZFJSCMGPOO-XWTMOSNGSA-N 2 1 343.515 3.411 20 0 EGADMP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931429915 1329116273 /nfs/dbraw/zinc/11/62/73/1329116273.db2.gz JQBTZFJSCMGPOO-XWTMOSNGSA-N 2 1 343.515 3.411 20 0 EGADMP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931429915 1329116275 /nfs/dbraw/zinc/11/62/75/1329116275.db2.gz JQBTZFJSCMGPOO-XWTMOSNGSA-N 2 1 343.515 3.411 20 0 EGADMP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931429915 1329116280 /nfs/dbraw/zinc/11/62/80/1329116280.db2.gz JQBTZFJSCMGPOO-XWTMOSNGSA-N 2 1 343.515 3.411 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001025168594 1323937297 /nfs/dbraw/zinc/93/72/97/1323937297.db2.gz NXKAXPLZMJECEJ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025241575 1324036177 /nfs/dbraw/zinc/03/61/77/1324036177.db2.gz YRDJQYLHNFEPPL-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241575 1324036184 /nfs/dbraw/zinc/03/61/84/1324036184.db2.gz YRDJQYLHNFEPPL-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241575 1324036188 /nfs/dbraw/zinc/03/61/88/1324036188.db2.gz YRDJQYLHNFEPPL-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258469 1324065957 /nfs/dbraw/zinc/06/59/57/1324065957.db2.gz GPLVNPSSRYWRQP-ROUUACIJSA-N 2 1 347.503 3.210 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258469 1324065961 /nfs/dbraw/zinc/06/59/61/1324065961.db2.gz GPLVNPSSRYWRQP-ROUUACIJSA-N 2 1 347.503 3.210 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293523 1324120724 /nfs/dbraw/zinc/12/07/24/1324120724.db2.gz CZKOMFBPGQICGB-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001025301692 1324135313 /nfs/dbraw/zinc/13/53/13/1324135313.db2.gz OKPRKJXYQDHUJX-PMACEKPBSA-N 2 1 343.515 3.227 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025474019 1324319427 /nfs/dbraw/zinc/31/94/27/1324319427.db2.gz IHWKIUUAEWXNPU-AEFFLSMTSA-N 2 1 340.471 3.131 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025493079 1324344414 /nfs/dbraw/zinc/34/44/14/1324344414.db2.gz KDZMOSKTCMUZTG-MJGOQNOKSA-N 2 1 345.531 3.029 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025494165 1324346424 /nfs/dbraw/zinc/34/64/24/1324346424.db2.gz VAVDUUDJIOYEGA-HKUYNNGSSA-N 2 1 345.531 3.031 20 0 EGADMP CCC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001026494632 1324847496 /nfs/dbraw/zinc/84/74/96/1324847496.db2.gz XQAJDHXYRSHNPA-AOCRQIFASA-N 2 1 335.536 3.068 20 0 EGADMP O=C(NC1CCC([NH2+]CCC2CC2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001026507324 1324855285 /nfs/dbraw/zinc/85/52/85/1324855285.db2.gz PPHDXYMEHMAJBU-AFMYVXGZSA-N 2 1 347.547 3.211 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001026560844 1324896236 /nfs/dbraw/zinc/89/62/36/1324896236.db2.gz GRNSNJVIMWKCIP-QHGAOEGBSA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001026887673 1325062076 /nfs/dbraw/zinc/06/20/76/1325062076.db2.gz SZHLOOYWSVLGOQ-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001026935618 1325092063 /nfs/dbraw/zinc/09/20/63/1325092063.db2.gz PWJCUUPVALWPAH-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CCON1CCC([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000925281821 1325112942 /nfs/dbraw/zinc/11/29/42/1325112942.db2.gz ZYIHHMIWHXTHHI-WGMWDUQUSA-N 2 1 345.531 3.149 20 0 EGADMP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)Oc1cccc(C)c1 ZINC000925499195 1325179446 /nfs/dbraw/zinc/17/94/46/1325179446.db2.gz MVJRAHYUONATSI-NXEWRWPSSA-N 2 1 346.515 3.384 20 0 EGADMP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925536794 1325198113 /nfs/dbraw/zinc/19/81/13/1325198113.db2.gz GNJNKRXLEJOPHG-NHCUHLMSSA-N 2 1 338.499 3.189 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001027104208 1325228771 /nfs/dbraw/zinc/22/87/71/1325228771.db2.gz NCUJAHFUQNZROU-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC000963444233 1325251000 /nfs/dbraw/zinc/25/10/00/1325251000.db2.gz VRLLYJUIZIDMCA-RBUKOAKNSA-N 2 1 346.519 3.022 20 0 EGADMP CCC(CC)[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CCO1 ZINC000926110519 1325432892 /nfs/dbraw/zinc/43/28/92/1325432892.db2.gz WVFRZSCBHGYRSZ-BGVWBIDGSA-N 2 1 338.536 3.202 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CC2CC2)CC1 ZINC000964015712 1325475855 /nfs/dbraw/zinc/47/58/55/1325475855.db2.gz XFDVXJPZRAWZMV-CTWPCTMYSA-N 2 1 335.536 3.019 20 0 EGADMP OC[C@H](CC(F)F)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926285504 1325503641 /nfs/dbraw/zinc/50/36/41/1325503641.db2.gz QAANPMFHQFIHRM-XFYFCPPXSA-N 2 1 338.442 3.178 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC2CCCC2)C1 ZINC001027433275 1327672067 /nfs/dbraw/zinc/67/20/67/1327672067.db2.gz VXFBVVCIOZIALJ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027433275 1327672073 /nfs/dbraw/zinc/67/20/73/1327672073.db2.gz VXFBVVCIOZIALJ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027433275 1327672080 /nfs/dbraw/zinc/67/20/80/1327672080.db2.gz VXFBVVCIOZIALJ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027435152 1327673314 /nfs/dbraw/zinc/67/33/14/1327673314.db2.gz ZGJFYWBSDLQDBB-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001027435152 1327673324 /nfs/dbraw/zinc/67/33/24/1327673324.db2.gz ZGJFYWBSDLQDBB-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001027435152 1327673332 /nfs/dbraw/zinc/67/33/32/1327673332.db2.gz ZGJFYWBSDLQDBB-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)[NH+](C)C ZINC001027452748 1327693096 /nfs/dbraw/zinc/69/30/96/1327693096.db2.gz UEMQNWATBNKTLO-OALUTQOASA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C)c(C)c2)C1)[NH+](C)C ZINC001027459747 1327702609 /nfs/dbraw/zinc/70/26/09/1327702609.db2.gz ARPXMPBVXXMSBF-VQTJNVASSA-N 2 1 345.531 3.066 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH+](C)CCC3CCCCC3)C2)C1 ZINC001027576367 1327913870 /nfs/dbraw/zinc/91/38/70/1327913870.db2.gz NNTXHMZUGWPTTL-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H]([N@H+](C)CCC3CCCCC3)C2)C1 ZINC001027576367 1327913875 /nfs/dbraw/zinc/91/38/75/1327913875.db2.gz NNTXHMZUGWPTTL-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H]([N@@H+](C)CCC3CCCCC3)C2)C1 ZINC001027576367 1327913880 /nfs/dbraw/zinc/91/38/80/1327913880.db2.gz NNTXHMZUGWPTTL-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1 ZINC001027602243 1327953990 /nfs/dbraw/zinc/95/39/90/1327953990.db2.gz OIFLTGSUIRAXKH-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC001027602243 1327953996 /nfs/dbraw/zinc/95/39/96/1327953996.db2.gz OIFLTGSUIRAXKH-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC[C@H]([N@@H+](C)CCC3CCCC3)C2)CC1 ZINC001027628882 1327992992 /nfs/dbraw/zinc/99/29/92/1327992992.db2.gz MWVSWMMKKXUWPG-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCC2(CC2)CC1 ZINC001027972365 1328444652 /nfs/dbraw/zinc/44/46/52/1328444652.db2.gz UEEWOIGIJGOSIK-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001027972365 1328444661 /nfs/dbraw/zinc/44/46/61/1328444661.db2.gz UEEWOIGIJGOSIK-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCC2(CC2)CC1 ZINC001027972365 1328444666 /nfs/dbraw/zinc/44/46/66/1328444666.db2.gz UEEWOIGIJGOSIK-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1=CCCCC1 ZINC001027986379 1328457896 /nfs/dbraw/zinc/45/78/96/1328457896.db2.gz VRDIZUPSORNIHN-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001027986379 1328457899 /nfs/dbraw/zinc/45/78/99/1328457899.db2.gz VRDIZUPSORNIHN-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001027986379 1328457904 /nfs/dbraw/zinc/45/79/04/1328457904.db2.gz VRDIZUPSORNIHN-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CCC1CCCC1)c1ccn2c[nH+]cc2c1 ZINC001028003269 1328465193 /nfs/dbraw/zinc/46/51/93/1328465193.db2.gz LYZQHAFGGFPEFB-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2cc(F)ccc2F)n1 ZINC000865416756 1329694387 /nfs/dbraw/zinc/69/43/87/1329694387.db2.gz KZMOZIYSIYDBCT-HOTGVXAUSA-N 2 1 346.425 3.082 20 0 EGADMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2cc(F)ccc2F)n1 ZINC000865416756 1329694388 /nfs/dbraw/zinc/69/43/88/1329694388.db2.gz KZMOZIYSIYDBCT-HOTGVXAUSA-N 2 1 346.425 3.082 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC34CCOCC4)CC2)cc1 ZINC000865778344 1329737426 /nfs/dbraw/zinc/73/74/26/1329737426.db2.gz IHBYSLMORSHDIR-IBGZPJMESA-N 2 1 328.500 3.447 20 0 EGADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CCO1 ZINC000865804572 1329739927 /nfs/dbraw/zinc/73/99/27/1329739927.db2.gz BFEFCNIBXPLCNZ-BMFZPTHFSA-N 2 1 334.426 3.483 20 0 EGADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CCO1 ZINC000865804572 1329739928 /nfs/dbraw/zinc/73/99/28/1329739928.db2.gz BFEFCNIBXPLCNZ-BMFZPTHFSA-N 2 1 334.426 3.483 20 0 EGADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CCO1 ZINC000865804574 1329740141 /nfs/dbraw/zinc/74/01/41/1329740141.db2.gz BFEFCNIBXPLCNZ-IMJJTQAJSA-N 2 1 334.426 3.483 20 0 EGADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CCO1 ZINC000865804574 1329740142 /nfs/dbraw/zinc/74/01/42/1329740142.db2.gz BFEFCNIBXPLCNZ-IMJJTQAJSA-N 2 1 334.426 3.483 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932190483 1329792830 /nfs/dbraw/zinc/79/28/30/1329792830.db2.gz MTFCWVAKTNIDEI-CQSZACIVSA-N 2 1 330.501 3.178 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932190483 1329792831 /nfs/dbraw/zinc/79/28/31/1329792831.db2.gz MTFCWVAKTNIDEI-CQSZACIVSA-N 2 1 330.501 3.178 20 0 EGADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CCC[C@H]1C1OCCO1 ZINC000933899159 1329931831 /nfs/dbraw/zinc/93/18/31/1329931831.db2.gz AIAKQKHJYJMPTB-IBGZPJMESA-N 2 1 330.472 3.010 20 0 EGADMP c1cc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)ccn1 ZINC000934696609 1330000540 /nfs/dbraw/zinc/00/05/40/1330000540.db2.gz BQUYGBIWSBOEJA-OAQYLSRUSA-N 2 1 337.467 3.155 20 0 EGADMP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2Cl)CC1 ZINC000866660946 1330138752 /nfs/dbraw/zinc/13/87/52/1330138752.db2.gz JFDRCYUZKBKVRT-AWEZNQCLSA-N 2 1 337.895 3.297 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941139605 1331351826 /nfs/dbraw/zinc/35/18/26/1331351826.db2.gz WPAUASVTNXBKKC-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557185 1331971727 /nfs/dbraw/zinc/97/17/27/1331971727.db2.gz CKKXCWUWUVRTAD-AEFFLSMTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[N@H+](CCC2CCCCCC2)CC[C@@H]1NC(=O)Cc1cnc[nH]1 ZINC000943175827 1332114113 /nfs/dbraw/zinc/11/41/13/1332114113.db2.gz IQTGVJWMLOZIAK-LPHOPBHVSA-N 2 1 346.519 3.139 20 0 EGADMP C[C@H]1C[N@@H+](CCC2CCCCCC2)CC[C@@H]1NC(=O)Cc1cnc[nH]1 ZINC000943175827 1332114114 /nfs/dbraw/zinc/11/41/14/1332114114.db2.gz IQTGVJWMLOZIAK-LPHOPBHVSA-N 2 1 346.519 3.139 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943286786 1332138311 /nfs/dbraw/zinc/13/83/11/1332138311.db2.gz GHUBIKAHXBHTGZ-SJLPKXTDSA-N 2 1 348.535 3.269 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943286786 1332138313 /nfs/dbraw/zinc/13/83/13/1332138313.db2.gz GHUBIKAHXBHTGZ-SJLPKXTDSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943516765 1332191884 /nfs/dbraw/zinc/19/18/84/1332191884.db2.gz MQKFFPVICLVFMF-PXNSSMCTSA-N 2 1 345.531 3.235 20 0 EGADMP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946592715 1332859305 /nfs/dbraw/zinc/85/93/05/1332859305.db2.gz VOEUBUHFDBHHIZ-KDURUIRLSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCC(C)C)C[C@H]2CC1 ZINC000946615989 1332863682 /nfs/dbraw/zinc/86/36/82/1332863682.db2.gz VULIKWBTHUGCKL-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC(C)C)C[C@H]2CC1 ZINC000946615989 1332863686 /nfs/dbraw/zinc/86/36/86/1332863686.db2.gz VULIKWBTHUGCKL-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCC(C)C)C[C@H]2CC1 ZINC000946615989 1332863687 /nfs/dbraw/zinc/86/36/87/1332863687.db2.gz VULIKWBTHUGCKL-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946624011 1332865097 /nfs/dbraw/zinc/86/50/97/1332865097.db2.gz YMCOFUDMZAOZGL-ZCNNSNEGSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946624011 1332865100 /nfs/dbraw/zinc/86/51/00/1332865100.db2.gz YMCOFUDMZAOZGL-ZCNNSNEGSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946624011 1332865102 /nfs/dbraw/zinc/86/51/02/1332865102.db2.gz YMCOFUDMZAOZGL-ZCNNSNEGSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946904536 1332929058 /nfs/dbraw/zinc/92/90/58/1332929058.db2.gz ITEDRFWHKCZHPU-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CC1CC(C)(C)C1 ZINC000947492754 1333145893 /nfs/dbraw/zinc/14/58/93/1333145893.db2.gz NGZKIMWBIIZVRK-AEFFLSMTSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000947615366 1333193854 /nfs/dbraw/zinc/19/38/54/1333193854.db2.gz ICWRHJSATVJRGL-PKOBYXMFSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947723845 1333241094 /nfs/dbraw/zinc/24/10/94/1333241094.db2.gz YVSKAKPCVSRTPE-PXNSSMCTSA-N 2 1 345.531 3.029 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947882767 1333290658 /nfs/dbraw/zinc/29/06/58/1333290658.db2.gz WRRBWNSFSWNEEO-MJGOQNOKSA-N 2 1 337.552 3.122 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)[C@@H](C)C1 ZINC000948044796 1333352358 /nfs/dbraw/zinc/35/23/58/1333352358.db2.gz SYQUWCBTCYORTD-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)[C@@H](C)C1 ZINC000948044796 1333352359 /nfs/dbraw/zinc/35/23/59/1333352359.db2.gz SYQUWCBTCYORTD-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1C/C=C/Cl ZINC000948055431 1333357151 /nfs/dbraw/zinc/35/71/51/1333357151.db2.gz BXJPLWVREQONQB-NQGACDCQSA-N 2 1 349.906 3.083 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948067113 1333362025 /nfs/dbraw/zinc/36/20/25/1333362025.db2.gz UCOBJUMYVLVGLF-FUHWJXTLSA-N 2 1 331.504 3.131 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1CCC1CC1 ZINC000948067099 1333362450 /nfs/dbraw/zinc/36/24/50/1333362450.db2.gz TWHFGQRUEYRTBQ-VQIMIIECSA-N 2 1 343.515 3.131 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948434390 1333523011 /nfs/dbraw/zinc/52/30/11/1333523011.db2.gz CBMYARPZCJSARE-MSOLQXFVSA-N 2 1 344.503 3.040 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948434390 1333523013 /nfs/dbraw/zinc/52/30/13/1333523013.db2.gz CBMYARPZCJSARE-MSOLQXFVSA-N 2 1 344.503 3.040 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439576 1333526510 /nfs/dbraw/zinc/52/65/10/1333526510.db2.gz SBUOJUHTTAGHDV-ICSRJNTNSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439576 1333526513 /nfs/dbraw/zinc/52/65/13/1333526513.db2.gz SBUOJUHTTAGHDV-ICSRJNTNSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439576 1333526515 /nfs/dbraw/zinc/52/65/15/1333526515.db2.gz SBUOJUHTTAGHDV-ICSRJNTNSA-N 2 1 349.563 3.362 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC000948621158 1333600873 /nfs/dbraw/zinc/60/08/73/1333600873.db2.gz LUILZUQSFLJWQA-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000948621158 1333600876 /nfs/dbraw/zinc/60/08/76/1333600876.db2.gz LUILZUQSFLJWQA-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000948637601 1333606473 /nfs/dbraw/zinc/60/64/73/1333606473.db2.gz HOANWPUIOJBVGK-UYAOXDASSA-N 2 1 343.515 3.075 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000948637601 1333606475 /nfs/dbraw/zinc/60/64/75/1333606475.db2.gz HOANWPUIOJBVGK-UYAOXDASSA-N 2 1 343.515 3.075 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CC(C)C)CC2)C1 ZINC000948710299 1333641950 /nfs/dbraw/zinc/64/19/50/1333641950.db2.gz AFCHBHGQISBLHA-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CCC[N@H+](CC(C)C)CC2)C1 ZINC000948710299 1333641954 /nfs/dbraw/zinc/64/19/54/1333641954.db2.gz AFCHBHGQISBLHA-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CCC[N@@H+](CC(C)C)CC2)C1 ZINC000948710299 1333641956 /nfs/dbraw/zinc/64/19/56/1333641956.db2.gz AFCHBHGQISBLHA-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829165 1333700842 /nfs/dbraw/zinc/70/08/42/1333700842.db2.gz FWMYSDBUTCLYBG-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829165 1333700845 /nfs/dbraw/zinc/70/08/45/1333700845.db2.gz FWMYSDBUTCLYBG-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000948829165 1333700849 /nfs/dbraw/zinc/70/08/49/1333700849.db2.gz FWMYSDBUTCLYBG-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CCCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829516 1333701513 /nfs/dbraw/zinc/70/15/13/1333701513.db2.gz PBWSKWPAHZTOQX-RBUKOAKNSA-N 2 1 337.552 3.362 20 0 EGADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829516 1333701517 /nfs/dbraw/zinc/70/15/17/1333701517.db2.gz PBWSKWPAHZTOQX-RBUKOAKNSA-N 2 1 337.552 3.362 20 0 EGADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000948829516 1333701520 /nfs/dbraw/zinc/70/15/20/1333701520.db2.gz PBWSKWPAHZTOQX-RBUKOAKNSA-N 2 1 337.552 3.362 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948832781 1333702421 /nfs/dbraw/zinc/70/24/21/1333702421.db2.gz ANZYHDXDRBTCQE-MJGOQNOKSA-N 2 1 337.552 3.077 20 0 EGADMP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CCC[N@@H+](CCCF)CC1 ZINC000948862037 1333713226 /nfs/dbraw/zinc/71/32/26/1333713226.db2.gz ZCTQRZZHKLESSD-IBGZPJMESA-N 2 1 349.494 3.034 20 0 EGADMP CN(C(=O)Cc1ncc[nH]1)[C@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC000948886566 1333719339 /nfs/dbraw/zinc/71/93/39/1333719339.db2.gz OQYIGQRHEUFFJL-SFHVURJKSA-N 2 1 344.503 3.156 20 0 EGADMP CC[C@H](C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000950331517 1334043421 /nfs/dbraw/zinc/04/34/21/1334043421.db2.gz PYMDMNLFDGDKFZ-ROUUACIJSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C1C[NH+](CCCC2CCC2)C1 ZINC000950501212 1334082734 /nfs/dbraw/zinc/08/27/34/1334082734.db2.gz TZSQZBKEOXPYAT-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000950508846 1334083697 /nfs/dbraw/zinc/08/36/97/1334083697.db2.gz SNPSEPBIHUBMCX-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1C[NH+](CCC2CCCC2)C1 ZINC000950616184 1334097351 /nfs/dbraw/zinc/09/73/51/1334097351.db2.gz SURYFTWAIKWYGQ-AZUAARDMSA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C1C[NH+](CCC(C)(C)C)C1 ZINC000952406469 1334450729 /nfs/dbraw/zinc/45/07/29/1334450729.db2.gz AZCAHFVPFNQBEC-GOSISDBHSA-N 2 1 337.552 3.218 20 0 EGADMP C[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000967708521 1335805466 /nfs/dbraw/zinc/80/54/66/1335805466.db2.gz SRDIHFRHICXRPS-FUHWJXTLSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1CC[N@@H+](CCC2=CCCCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968190705 1335868518 /nfs/dbraw/zinc/86/85/18/1335868518.db2.gz LOXPWIXIBWNSOF-FXAWDEMLSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC2CCCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968378676 1335909815 /nfs/dbraw/zinc/90/98/15/1335909815.db2.gz RMASRTQULDKLAY-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968672958 1336005461 /nfs/dbraw/zinc/00/54/61/1336005461.db2.gz HQDCOLFJDGMLBF-XLIONFOSSA-N 2 1 345.531 3.235 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1=CCCCC1 ZINC000968782013 1336048660 /nfs/dbraw/zinc/04/86/60/1336048660.db2.gz RBBJEWALUWGPSY-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1=CCCCC1 ZINC000968782013 1336048664 /nfs/dbraw/zinc/04/86/64/1336048664.db2.gz RBBJEWALUWGPSY-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCC1=CCCCC1 ZINC000968782013 1336048668 /nfs/dbraw/zinc/04/86/68/1336048668.db2.gz RBBJEWALUWGPSY-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000968851048 1336067213 /nfs/dbraw/zinc/06/72/13/1336067213.db2.gz MSDKWHLQTWNNLZ-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC2CCCCC2)CC[N@H+]1C ZINC000968864174 1336072143 /nfs/dbraw/zinc/07/21/43/1336072143.db2.gz RFECUDPCASCXOC-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC2CCCCC2)CC[NH+]1C ZINC000968864174 1336072144 /nfs/dbraw/zinc/07/21/44/1336072144.db2.gz RFECUDPCASCXOC-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC2CCCCC2)CC[NH+]1C ZINC000968864174 1336072147 /nfs/dbraw/zinc/07/21/47/1336072147.db2.gz RFECUDPCASCXOC-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1CC1 ZINC000968882852 1336079247 /nfs/dbraw/zinc/07/92/47/1336079247.db2.gz VQMLTOIWWVTAQN-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CC1 ZINC000968882852 1336079248 /nfs/dbraw/zinc/07/92/48/1336079248.db2.gz VQMLTOIWWVTAQN-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CC1 ZINC000968882852 1336079251 /nfs/dbraw/zinc/07/92/51/1336079251.db2.gz VQMLTOIWWVTAQN-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968888471 1336080297 /nfs/dbraw/zinc/08/02/97/1336080297.db2.gz VQEUVHUKCFPPAR-RTBURBONSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000968888471 1336080300 /nfs/dbraw/zinc/08/03/00/1336080300.db2.gz VQEUVHUKCFPPAR-RTBURBONSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000968888471 1336080303 /nfs/dbraw/zinc/08/03/03/1336080303.db2.gz VQEUVHUKCFPPAR-RTBURBONSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968887806 1336080824 /nfs/dbraw/zinc/08/08/24/1336080824.db2.gz MYYJXWVKMVQBQY-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC000968887806 1336080825 /nfs/dbraw/zinc/08/08/25/1336080825.db2.gz MYYJXWVKMVQBQY-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000968887806 1336080829 /nfs/dbraw/zinc/08/08/29/1336080829.db2.gz MYYJXWVKMVQBQY-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968887866 1336080969 /nfs/dbraw/zinc/08/09/69/1336080969.db2.gz OBBBDJQKZDGTNE-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000968887866 1336080970 /nfs/dbraw/zinc/08/09/70/1336080970.db2.gz OBBBDJQKZDGTNE-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000968887866 1336080971 /nfs/dbraw/zinc/08/09/71/1336080971.db2.gz OBBBDJQKZDGTNE-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC000969964119 1336267033 /nfs/dbraw/zinc/26/70/33/1336267033.db2.gz CKTMUHNQDVESFM-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(Cl)nc(C(F)(F)F)c2)CC1 ZINC001205592486 1370804102 /nfs/dbraw/zinc/80/41/02/1370804102.db2.gz VJUVIVJAODYNMF-CYBMUJFWSA-N 2 1 339.764 3.407 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(Cl)nc(C(F)(F)F)c2)CC1 ZINC001205592486 1370804104 /nfs/dbraw/zinc/80/41/04/1370804104.db2.gz VJUVIVJAODYNMF-CYBMUJFWSA-N 2 1 339.764 3.407 20 0 EGADMP C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1C[NH+](CC2CCC2)C1 ZINC000970324970 1336294917 /nfs/dbraw/zinc/29/49/17/1336294917.db2.gz BCXWDUJNMCRJPA-OXQOHEQNSA-N 2 1 347.547 3.020 20 0 EGADMP O=C(N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC000970590139 1336324949 /nfs/dbraw/zinc/32/49/49/1336324949.db2.gz UVWGIQMKHWFJSZ-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC=C(C)C)C1 ZINC000970720117 1336335542 /nfs/dbraw/zinc/33/55/42/1336335542.db2.gz YCRRGMOFTGMLKQ-MJGOQNOKSA-N 2 1 335.536 3.044 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001005504534 1336363673 /nfs/dbraw/zinc/36/36/73/1336363673.db2.gz UOFMVQLJUGIHBW-HXUWFJFHSA-N 2 1 347.547 3.116 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001005712947 1336396819 /nfs/dbraw/zinc/39/68/19/1336396819.db2.gz KKDHHEYMOSDDKG-UHFFFAOYSA-N 2 1 346.519 3.085 20 0 EGADMP CN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001006119845 1336455144 /nfs/dbraw/zinc/45/51/44/1336455144.db2.gz NMOSNTLGBDBQGR-RBUKOAKNSA-N 2 1 349.563 3.362 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001006442555 1336507057 /nfs/dbraw/zinc/50/70/57/1336507057.db2.gz JFOLIKAVXFWOIB-FQEVSTJZSA-N 2 1 347.547 3.284 20 0 EGADMP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001006443438 1336507089 /nfs/dbraw/zinc/50/70/89/1336507089.db2.gz DRGUGNRODKZSRH-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001007646778 1336683001 /nfs/dbraw/zinc/68/30/01/1336683001.db2.gz QGWVOETYRNLKCB-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001007646778 1336683003 /nfs/dbraw/zinc/68/30/03/1336683003.db2.gz QGWVOETYRNLKCB-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001007646778 1336683005 /nfs/dbraw/zinc/68/30/05/1336683005.db2.gz QGWVOETYRNLKCB-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC1CCC(C[N@H+]2CCC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001007791019 1336701079 /nfs/dbraw/zinc/70/10/79/1336701079.db2.gz YXQBXFKFUWRMDO-ACBHZAAOSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](CC3CCCCC3)C2)C1 ZINC001008281852 1336814696 /nfs/dbraw/zinc/81/46/96/1336814696.db2.gz WXPOBSWHXANLTA-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)C1 ZINC001008281852 1336814697 /nfs/dbraw/zinc/81/46/97/1336814697.db2.gz WXPOBSWHXANLTA-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)C1 ZINC001008281852 1336814699 /nfs/dbraw/zinc/81/46/99/1336814699.db2.gz WXPOBSWHXANLTA-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001008344602 1336828662 /nfs/dbraw/zinc/82/86/62/1336828662.db2.gz RNXJFHPRHOMJKV-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001008344602 1336828665 /nfs/dbraw/zinc/82/86/65/1336828665.db2.gz RNXJFHPRHOMJKV-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP C[C@H]1C[N@H+](Cc2cc(Br)cnc2Cl)CCC[C@H]1C[NH3+] ZINC001206003476 1370935321 /nfs/dbraw/zinc/93/53/21/1370935321.db2.gz IIUOCWZJABMZSZ-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc(Br)cnc2Cl)CCC[C@H]1C[NH3+] ZINC001206003476 1370935323 /nfs/dbraw/zinc/93/53/23/1370935323.db2.gz IIUOCWZJABMZSZ-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001008530313 1336876389 /nfs/dbraw/zinc/87/63/89/1336876389.db2.gz IXGVDAOIKWTWQT-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001008530313 1336876391 /nfs/dbraw/zinc/87/63/91/1336876391.db2.gz IXGVDAOIKWTWQT-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001008530313 1336876393 /nfs/dbraw/zinc/87/63/93/1336876393.db2.gz IXGVDAOIKWTWQT-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001008750587 1336920481 /nfs/dbraw/zinc/92/04/81/1336920481.db2.gz WTBNHECCIHCVMK-QUCCMNQESA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@@H+](CCC3CCCCC3)C2)CC1 ZINC001008763195 1336922654 /nfs/dbraw/zinc/92/26/54/1336922654.db2.gz XUGZXUGZXKGQCJ-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCC(C)(C)C)C2)cc1 ZINC001008883412 1336937238 /nfs/dbraw/zinc/93/72/38/1336937238.db2.gz QZPDQWQXCZIEIH-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1)[NH+]1CCCCC1 ZINC001014422869 1337773829 /nfs/dbraw/zinc/77/38/29/1337773829.db2.gz JSRXXSHPKZZFFF-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001014429479 1337776162 /nfs/dbraw/zinc/77/61/62/1337776162.db2.gz YOUYZGPWIUUNTH-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014434468 1337776939 /nfs/dbraw/zinc/77/69/39/1337776939.db2.gz MJRMGJFTPKLFMK-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014434468 1337776942 /nfs/dbraw/zinc/77/69/42/1337776942.db2.gz MJRMGJFTPKLFMK-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014434468 1337776946 /nfs/dbraw/zinc/77/69/46/1337776946.db2.gz MJRMGJFTPKLFMK-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001014607556 1337846138 /nfs/dbraw/zinc/84/61/38/1337846138.db2.gz MGJAWOVFBZTTFJ-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001014607556 1337846141 /nfs/dbraw/zinc/84/61/41/1337846141.db2.gz MGJAWOVFBZTTFJ-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001014705365 1337876100 /nfs/dbraw/zinc/87/61/00/1337876100.db2.gz OWAOVDFHYCOCAA-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCCC3CCCC3)C2)C1 ZINC001014705365 1337876103 /nfs/dbraw/zinc/87/61/03/1337876103.db2.gz OWAOVDFHYCOCAA-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001014705365 1337876106 /nfs/dbraw/zinc/87/61/06/1337876106.db2.gz OWAOVDFHYCOCAA-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001014724622 1337885946 /nfs/dbraw/zinc/88/59/46/1337885946.db2.gz VZFNMGRRLWASHT-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001014724622 1337885950 /nfs/dbraw/zinc/88/59/50/1337885950.db2.gz VZFNMGRRLWASHT-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001014724622 1337885956 /nfs/dbraw/zinc/88/59/56/1337885956.db2.gz VZFNMGRRLWASHT-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001015056673 1338004769 /nfs/dbraw/zinc/00/47/69/1338004769.db2.gz HRKKGUGPEPPVNG-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001015056673 1338004775 /nfs/dbraw/zinc/00/47/75/1338004775.db2.gz HRKKGUGPEPPVNG-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001015056673 1338004782 /nfs/dbraw/zinc/00/47/82/1338004782.db2.gz HRKKGUGPEPPVNG-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001015288422 1338085082 /nfs/dbraw/zinc/08/50/82/1338085082.db2.gz CUWHFHQQGLEMQW-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015291874 1338087006 /nfs/dbraw/zinc/08/70/06/1338087006.db2.gz WNSKBUPEGZFDCI-SJLPKXTDSA-N 2 1 348.450 3.208 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001015387995 1338120929 /nfs/dbraw/zinc/12/09/29/1338120929.db2.gz OHNCMHBNVIRKGC-UXHICEINSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1)[NH+]1CCCCCC1 ZINC001015792689 1338312806 /nfs/dbraw/zinc/31/28/06/1338312806.db2.gz BJIUEKJCVCUBOK-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795746 1338315216 /nfs/dbraw/zinc/31/52/16/1338315216.db2.gz RRKXERRWSIYAJB-UYAOXDASSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC3=CCCCC3)C2)cc1 ZINC001015856982 1338335588 /nfs/dbraw/zinc/33/55/88/1338335588.db2.gz AYCKNHUYOLRFIN-FQEVSTJZSA-N 2 1 341.499 3.053 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015895722 1338351535 /nfs/dbraw/zinc/35/15/35/1338351535.db2.gz AFYAEWHFLABYJH-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CCCC3CCC3)C2)c1 ZINC001016329897 1338552226 /nfs/dbraw/zinc/55/22/26/1338552226.db2.gz CYUZBFPDIFXDDD-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001016339914 1338555175 /nfs/dbraw/zinc/55/51/75/1338555175.db2.gz SFXFAZQTTUYLJE-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001016339914 1338555179 /nfs/dbraw/zinc/55/51/79/1338555179.db2.gz SFXFAZQTTUYLJE-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001016339914 1338555180 /nfs/dbraw/zinc/55/51/80/1338555180.db2.gz SFXFAZQTTUYLJE-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC23CC[NH+](CCC(C)C)CC3)C1 ZINC001016788807 1338727839 /nfs/dbraw/zinc/72/78/39/1338727839.db2.gz DOLJBSWZMMENAR-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC23CC[NH+](CCC(C)(C)C)CC3)CC[N@H+]1C ZINC001016793315 1338728937 /nfs/dbraw/zinc/72/89/37/1338728937.db2.gz JHWDMISYJUPFCN-BZSNNMDCSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001017141000 1338893946 /nfs/dbraw/zinc/89/39/46/1338893946.db2.gz BDEYDWSZPMGORD-QUCCMNQESA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001017178558 1338923234 /nfs/dbraw/zinc/92/32/34/1338923234.db2.gz ADUIHRRMGJIQQK-JLAWEPINSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)CC1CCCCCC1 ZINC001017262363 1338988438 /nfs/dbraw/zinc/98/84/38/1338988438.db2.gz ZLFLZPQDIAIQRR-HXUWFJFHSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1)[NH+]1CCCC1 ZINC001017265948 1338992386 /nfs/dbraw/zinc/99/23/86/1338992386.db2.gz HBXFDYYRVQFXFN-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001017554451 1339366890 /nfs/dbraw/zinc/36/68/90/1339366890.db2.gz AAJNIZKTJYJSMT-KDURUIRLSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018051358 1339490419 /nfs/dbraw/zinc/49/04/19/1339490419.db2.gz GAIQFBNDGNIUGS-AKHDSKFASA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001018051358 1339490420 /nfs/dbraw/zinc/49/04/20/1339490420.db2.gz GAIQFBNDGNIUGS-AKHDSKFASA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001018051358 1339490421 /nfs/dbraw/zinc/49/04/21/1339490421.db2.gz GAIQFBNDGNIUGS-AKHDSKFASA-N 2 1 347.547 3.115 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001018872724 1339740919 /nfs/dbraw/zinc/74/09/19/1339740919.db2.gz HGVQHDACPPYTQD-WBVHZDCISA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093034 1340421153 /nfs/dbraw/zinc/42/11/53/1340421153.db2.gz GKBXFAHNXIKDHY-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093034 1340421156 /nfs/dbraw/zinc/42/11/56/1340421156.db2.gz GKBXFAHNXIKDHY-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093034 1340421158 /nfs/dbraw/zinc/42/11/58/1340421158.db2.gz GKBXFAHNXIKDHY-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC(C)C ZINC001028254624 1340514999 /nfs/dbraw/zinc/51/49/99/1340514999.db2.gz YOWCEGKTCNQWBM-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC(C)C ZINC001028254624 1340515003 /nfs/dbraw/zinc/51/50/03/1340515003.db2.gz YOWCEGKTCNQWBM-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC(C)C ZINC001028254624 1340515006 /nfs/dbraw/zinc/51/50/06/1340515006.db2.gz YOWCEGKTCNQWBM-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001028335071 1340572480 /nfs/dbraw/zinc/57/24/80/1340572480.db2.gz NLCGUFUEWCKBAO-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001028335071 1340572484 /nfs/dbraw/zinc/57/24/84/1340572484.db2.gz NLCGUFUEWCKBAO-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC001028335071 1340572487 /nfs/dbraw/zinc/57/24/87/1340572487.db2.gz NLCGUFUEWCKBAO-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001028538062 1340693224 /nfs/dbraw/zinc/69/32/24/1340693224.db2.gz ZAYJJPXGRREECS-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001028538062 1340693227 /nfs/dbraw/zinc/69/32/27/1340693227.db2.gz ZAYJJPXGRREECS-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001028538062 1340693228 /nfs/dbraw/zinc/69/32/28/1340693228.db2.gz ZAYJJPXGRREECS-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028595438 1340719567 /nfs/dbraw/zinc/71/95/67/1340719567.db2.gz YUOWIJHUMWGRTM-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028595438 1340719569 /nfs/dbraw/zinc/71/95/69/1340719569.db2.gz YUOWIJHUMWGRTM-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028595438 1340719573 /nfs/dbraw/zinc/71/95/73/1340719573.db2.gz YUOWIJHUMWGRTM-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029013198 1340909640 /nfs/dbraw/zinc/90/96/40/1340909640.db2.gz VGSYJDXQUPQGEE-DLBZAZTESA-N 2 1 349.519 3.219 20 0 EGADMP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001029107517 1340931732 /nfs/dbraw/zinc/93/17/32/1340931732.db2.gz AHELDKIPGKAKGV-KRWDZBQOSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)C1 ZINC001029553630 1341011281 /nfs/dbraw/zinc/01/12/81/1341011281.db2.gz XCPANTXBGQBIAD-MKXGPGLRSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@H](C(=O)N1CCC(C[N@@H+](C)Cc2cccc(C)c2)CC1)[NH+](C)C ZINC001029972776 1341139900 /nfs/dbraw/zinc/13/99/00/1341139900.db2.gz NNKAHZJVGWEOCN-HXUWFJFHSA-N 2 1 345.531 3.006 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030026245 1341160553 /nfs/dbraw/zinc/16/05/53/1341160553.db2.gz OOZQPBNYCROQSR-AQNXPRMDSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030026245 1341160554 /nfs/dbraw/zinc/16/05/54/1341160554.db2.gz OOZQPBNYCROQSR-AQNXPRMDSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030026245 1341160555 /nfs/dbraw/zinc/16/05/55/1341160555.db2.gz OOZQPBNYCROQSR-AQNXPRMDSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030026245 1341160556 /nfs/dbraw/zinc/16/05/56/1341160556.db2.gz OOZQPBNYCROQSR-AQNXPRMDSA-N 2 1 343.515 3.203 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCCC2CCCC2)C1 ZINC001032026717 1341441653 /nfs/dbraw/zinc/44/16/53/1341441653.db2.gz ISVYIHRTBARBNC-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2CCCCC2)C1 ZINC001032119136 1341458591 /nfs/dbraw/zinc/45/85/91/1341458591.db2.gz GTMHOQBNIFDGMD-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1=CCCCC1 ZINC001032802521 1341618960 /nfs/dbraw/zinc/61/89/60/1341618960.db2.gz CAWUBIKNRVVVCB-UFYCRDLUSA-N 2 1 345.531 3.036 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1=CCCCC1 ZINC001032802521 1341618961 /nfs/dbraw/zinc/61/89/61/1341618961.db2.gz CAWUBIKNRVVVCB-UFYCRDLUSA-N 2 1 345.531 3.036 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1=CCCCC1 ZINC001032802521 1341618962 /nfs/dbraw/zinc/61/89/62/1341618962.db2.gz CAWUBIKNRVVVCB-UFYCRDLUSA-N 2 1 345.531 3.036 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001032829829 1341628622 /nfs/dbraw/zinc/62/86/22/1341628622.db2.gz GGKJBMBGGFDWCN-HBFSDRIKSA-N 2 1 343.515 3.039 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001032829829 1341628623 /nfs/dbraw/zinc/62/86/23/1341628623.db2.gz GGKJBMBGGFDWCN-HBFSDRIKSA-N 2 1 343.515 3.039 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001032829829 1341628624 /nfs/dbraw/zinc/62/86/24/1341628624.db2.gz GGKJBMBGGFDWCN-HBFSDRIKSA-N 2 1 343.515 3.039 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001032829829 1341628625 /nfs/dbraw/zinc/62/86/25/1341628625.db2.gz GGKJBMBGGFDWCN-HBFSDRIKSA-N 2 1 343.515 3.039 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001032830281 1341628989 /nfs/dbraw/zinc/62/89/89/1341628989.db2.gz JKNGUGSBDHTHEN-FRYIKTPZSA-N 2 1 343.515 3.059 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001032830281 1341628991 /nfs/dbraw/zinc/62/89/91/1341628991.db2.gz JKNGUGSBDHTHEN-FRYIKTPZSA-N 2 1 343.515 3.059 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001032830281 1341628993 /nfs/dbraw/zinc/62/89/93/1341628993.db2.gz JKNGUGSBDHTHEN-FRYIKTPZSA-N 2 1 343.515 3.059 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033077907 1341717807 /nfs/dbraw/zinc/71/78/07/1341717807.db2.gz TXRSKYVRXCWXLQ-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001033198728 1341750491 /nfs/dbraw/zinc/75/04/91/1341750491.db2.gz MZFHSWRIHQJCLQ-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033198728 1341750492 /nfs/dbraw/zinc/75/04/92/1341750492.db2.gz MZFHSWRIHQJCLQ-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033198728 1341750494 /nfs/dbraw/zinc/75/04/94/1341750494.db2.gz MZFHSWRIHQJCLQ-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC3=CCCCC3)C2)C1 ZINC001033354043 1341793395 /nfs/dbraw/zinc/79/33/95/1341793395.db2.gz LXYMZRIRXXODQZ-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001033354043 1341793396 /nfs/dbraw/zinc/79/33/96/1341793396.db2.gz LXYMZRIRXXODQZ-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001033354043 1341793397 /nfs/dbraw/zinc/79/33/97/1341793397.db2.gz LXYMZRIRXXODQZ-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033426002 1341822189 /nfs/dbraw/zinc/82/21/89/1341822189.db2.gz MSSVNTMQTHZNRN-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033426002 1341822190 /nfs/dbraw/zinc/82/21/90/1341822190.db2.gz MSSVNTMQTHZNRN-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033426002 1341822191 /nfs/dbraw/zinc/82/21/91/1341822191.db2.gz MSSVNTMQTHZNRN-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001033549136 1341867323 /nfs/dbraw/zinc/86/73/23/1341867323.db2.gz WOCONHQBSVFWAS-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033699548 1341966632 /nfs/dbraw/zinc/96/66/32/1341966632.db2.gz OGRAAURWKAPRBP-MRXNPFEDSA-N 2 1 335.492 3.068 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)[C@@H]1C ZINC001074659099 1356221578 /nfs/dbraw/zinc/22/15/78/1356221578.db2.gz YYDSVDJWBNHXEH-RYRKJORJSA-N 2 1 346.519 3.166 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CC3CCCCC3)C2)CC[N@H+]1C ZINC001033833796 1342034023 /nfs/dbraw/zinc/03/40/23/1342034023.db2.gz AEEGRWFTNOBKQI-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](CC3CCCCC3)C2)CC[NH+]1C ZINC001033833796 1342034026 /nfs/dbraw/zinc/03/40/26/1342034026.db2.gz AEEGRWFTNOBKQI-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](CC3CCCCC3)C2)CC[NH+]1C ZINC001033833796 1342034028 /nfs/dbraw/zinc/03/40/28/1342034028.db2.gz AEEGRWFTNOBKQI-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033887805 1342061171 /nfs/dbraw/zinc/06/11/71/1342061171.db2.gz PDXLSRMSNVGUEO-GOSISDBHSA-N 2 1 342.487 3.307 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)CC1 ZINC001075459137 1356392731 /nfs/dbraw/zinc/39/27/31/1356392731.db2.gz ZSSFLCIOBBCXEQ-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC001075459137 1356392734 /nfs/dbraw/zinc/39/27/34/1356392734.db2.gz ZSSFLCIOBBCXEQ-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)CC1 ZINC001075459137 1356392736 /nfs/dbraw/zinc/39/27/36/1356392736.db2.gz ZSSFLCIOBBCXEQ-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](F)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033989630 1342133742 /nfs/dbraw/zinc/13/37/42/1342133742.db2.gz MSDXQODNVWYKFL-RTBURBONSA-N 2 1 349.494 3.033 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034003945 1342141858 /nfs/dbraw/zinc/14/18/58/1342141858.db2.gz JKRXILFYIKYBSG-HKUYNNGSSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034204308 1342315509 /nfs/dbraw/zinc/31/55/09/1342315509.db2.gz LQHGXCYWERFAMU-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001034204308 1342315512 /nfs/dbraw/zinc/31/55/12/1342315512.db2.gz LQHGXCYWERFAMU-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001034204308 1342315514 /nfs/dbraw/zinc/31/55/14/1342315514.db2.gz LQHGXCYWERFAMU-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034272568 1342363760 /nfs/dbraw/zinc/36/37/60/1342363760.db2.gz VUKWLIKIGUPZTB-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCC2CCCC2)C1 ZINC001034272568 1342363765 /nfs/dbraw/zinc/36/37/65/1342363765.db2.gz VUKWLIKIGUPZTB-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCC2CCCC2)C1 ZINC001034272568 1342363767 /nfs/dbraw/zinc/36/37/67/1342363767.db2.gz VUKWLIKIGUPZTB-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CCCC[N@@H+](CCC3CC3)C2)ccc2c[nH+]cn21 ZINC001034284264 1342372452 /nfs/dbraw/zinc/37/24/52/1342372452.db2.gz IJXGDHRZIZFJRC-QGZVFWFLSA-N 2 1 340.471 3.027 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CCCC[N@@H+](CC3CCC3)C2)ccc2c[nH+]cn21 ZINC001034284705 1342372861 /nfs/dbraw/zinc/37/28/61/1342372861.db2.gz MOUSUNVIKCVELQ-QGZVFWFLSA-N 2 1 340.471 3.027 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](CC3CCCCCC3)C2)C1 ZINC001034395191 1342463683 /nfs/dbraw/zinc/46/36/83/1342463683.db2.gz VEWNGPRUTWFWSX-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CC3CCCCCC3)C2)C1 ZINC001034395191 1342463686 /nfs/dbraw/zinc/46/36/86/1342463686.db2.gz VEWNGPRUTWFWSX-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001034395191 1342463687 /nfs/dbraw/zinc/46/36/87/1342463687.db2.gz VEWNGPRUTWFWSX-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](CCC3CCCCC3)C2)C1 ZINC001034490027 1342547514 /nfs/dbraw/zinc/54/75/14/1342547514.db2.gz IDCCJYROCYPKDJ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@H+](CCC3CCCCC3)C2)C1 ZINC001034490027 1342547516 /nfs/dbraw/zinc/54/75/16/1342547516.db2.gz IDCCJYROCYPKDJ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001034490027 1342547517 /nfs/dbraw/zinc/54/75/17/1342547517.db2.gz IDCCJYROCYPKDJ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034658797 1342676116 /nfs/dbraw/zinc/67/61/16/1342676116.db2.gz GUEDSUYTJUUQPT-UFYCRDLUSA-N 2 1 349.563 3.458 20 0 EGADMP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001034753963 1342739208 /nfs/dbraw/zinc/73/92/08/1342739208.db2.gz NMUGWJLUKPEMQU-WTGUMLROSA-N 2 1 347.547 3.211 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001034973352 1342859490 /nfs/dbraw/zinc/85/94/90/1342859490.db2.gz PDSONKBGAQOXBS-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCC2)C1 ZINC001035022650 1342882316 /nfs/dbraw/zinc/88/23/16/1342882316.db2.gz IIPCWMIKVBRQKL-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC2(CC[N@@H+](C(C)C)C2)CC1 ZINC001035186523 1343001599 /nfs/dbraw/zinc/00/15/99/1343001599.db2.gz GCWJUKPFLLOTJA-QGZVFWFLSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC2(CC[N@H+](C(C)C)C2)CC1 ZINC001035186523 1343001601 /nfs/dbraw/zinc/00/16/01/1343001601.db2.gz GCWJUKPFLLOTJA-QGZVFWFLSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](C[C@H](C)CC)C2)CC1 ZINC001035189198 1343003409 /nfs/dbraw/zinc/00/34/09/1343003409.db2.gz XYCRBDGWXKTWJH-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001035189198 1343003415 /nfs/dbraw/zinc/00/34/15/1343003415.db2.gz XYCRBDGWXKTWJH-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](C[C@H](C)CC)C2)CC1 ZINC001035189198 1343003419 /nfs/dbraw/zinc/00/34/19/1343003419.db2.gz XYCRBDGWXKTWJH-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)(C)C1)CC2 ZINC001035227043 1343048732 /nfs/dbraw/zinc/04/87/32/1343048732.db2.gz NCBACURYTDOBDW-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC(C)(C)C1)CC2 ZINC001035227043 1343048736 /nfs/dbraw/zinc/04/87/36/1343048736.db2.gz NCBACURYTDOBDW-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CCC(C)(C)C1)CC2 ZINC001035227043 1343048737 /nfs/dbraw/zinc/04/87/37/1343048737.db2.gz NCBACURYTDOBDW-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035249028 1343072362 /nfs/dbraw/zinc/07/23/62/1343072362.db2.gz OFGKKPPVMWTPIV-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)CC2 ZINC001035709525 1343145041 /nfs/dbraw/zinc/14/50/41/1343145041.db2.gz XUBPKMIXJFWLGB-KRWDZBQOSA-N 2 1 346.519 3.121 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC3(C[NH+](CCC(C)(C)C)C3)CC2)CC[N@H+]1C ZINC001035778563 1343188740 /nfs/dbraw/zinc/18/87/40/1343188740.db2.gz IGMKPYGRIDSXKT-ROUUACIJSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1CC ZINC001037871530 1344153546 /nfs/dbraw/zinc/15/35/46/1344153546.db2.gz CDZULGIDBNUDAF-WMZOPIPTSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001038240993 1344339672 /nfs/dbraw/zinc/33/96/72/1344339672.db2.gz RWSDWVBYLRUFDW-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001038240993 1344339673 /nfs/dbraw/zinc/33/96/73/1344339673.db2.gz RWSDWVBYLRUFDW-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001038240993 1344339675 /nfs/dbraw/zinc/33/96/75/1344339675.db2.gz RWSDWVBYLRUFDW-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCC2CCCCC2)C1 ZINC001038339377 1344387188 /nfs/dbraw/zinc/38/71/88/1344387188.db2.gz GRGFCZJVWZRBOC-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCC2CCCCC2)C1 ZINC001038339377 1344387190 /nfs/dbraw/zinc/38/71/90/1344387190.db2.gz GRGFCZJVWZRBOC-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCC2CCCCC2)C1 ZINC001038339377 1344387194 /nfs/dbraw/zinc/38/71/94/1344387194.db2.gz GRGFCZJVWZRBOC-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038467336 1344437225 /nfs/dbraw/zinc/43/72/25/1344437225.db2.gz ZHKAEQTZTAPWIG-UYAOXDASSA-N 2 1 348.450 3.290 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCCC2CCCC2)C1 ZINC001038620266 1344507626 /nfs/dbraw/zinc/50/76/26/1344507626.db2.gz BOPOKDAYHDBVRB-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCCC2CCCC2)C1 ZINC001038620266 1344507629 /nfs/dbraw/zinc/50/76/29/1344507629.db2.gz BOPOKDAYHDBVRB-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCCC2CCCC2)C1 ZINC001038620266 1344507634 /nfs/dbraw/zinc/50/76/34/1344507634.db2.gz BOPOKDAYHDBVRB-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCC1 ZINC001038777798 1344581421 /nfs/dbraw/zinc/58/14/21/1344581421.db2.gz CFMGRYQZJBATGM-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001038777798 1344581423 /nfs/dbraw/zinc/58/14/23/1344581423.db2.gz CFMGRYQZJBATGM-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001038777798 1344581429 /nfs/dbraw/zinc/58/14/29/1344581429.db2.gz CFMGRYQZJBATGM-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2CC2CCCCC2)cc1 ZINC001038818512 1344596026 /nfs/dbraw/zinc/59/60/26/1344596026.db2.gz NNWWADPAKLRMFG-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCC1 ZINC001038909162 1344647306 /nfs/dbraw/zinc/64/73/06/1344647306.db2.gz OHJKWXSFSOEMTL-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001038909162 1344647311 /nfs/dbraw/zinc/64/73/11/1344647311.db2.gz OHJKWXSFSOEMTL-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001038909162 1344647315 /nfs/dbraw/zinc/64/73/15/1344647315.db2.gz OHJKWXSFSOEMTL-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039233834 1344954248 /nfs/dbraw/zinc/95/42/48/1344954248.db2.gz FIUZCWXOGFHXCO-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039233834 1344954250 /nfs/dbraw/zinc/95/42/50/1344954250.db2.gz FIUZCWXOGFHXCO-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001039235616 1344957182 /nfs/dbraw/zinc/95/71/82/1344957182.db2.gz QQJGTJRFLZDXEX-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001039235616 1344957183 /nfs/dbraw/zinc/95/71/83/1344957183.db2.gz QQJGTJRFLZDXEX-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039237578 1344960615 /nfs/dbraw/zinc/96/06/15/1344960615.db2.gz HQCMTZJGDAPBLJ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC1CCC1)C1CCC1 ZINC001039644870 1345153002 /nfs/dbraw/zinc/15/30/02/1345153002.db2.gz ZNPGWVBTDDOFQG-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC1CCC1)C1CCC1 ZINC001039644870 1345153006 /nfs/dbraw/zinc/15/30/06/1345153006.db2.gz ZNPGWVBTDDOFQG-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC1CCC1)C1CCC1 ZINC001039644870 1345153009 /nfs/dbraw/zinc/15/30/09/1345153009.db2.gz ZNPGWVBTDDOFQG-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(C)(C)C)[NH+](C)C ZINC001039900206 1345240960 /nfs/dbraw/zinc/24/09/60/1345240960.db2.gz OWGQCSPQTVRFAJ-FGTMMUONSA-N 2 1 337.552 3.074 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001040017298 1345288966 /nfs/dbraw/zinc/28/89/66/1345288966.db2.gz IPCJGVSFUJKIMA-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001040017298 1345288968 /nfs/dbraw/zinc/28/89/68/1345288968.db2.gz IPCJGVSFUJKIMA-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001040017298 1345288973 /nfs/dbraw/zinc/28/89/73/1345288973.db2.gz IPCJGVSFUJKIMA-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040209288 1345375780 /nfs/dbraw/zinc/37/57/80/1345375780.db2.gz ICHVTBLNKNXORU-PXNSSMCTSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040209288 1345375781 /nfs/dbraw/zinc/37/57/81/1345375781.db2.gz ICHVTBLNKNXORU-PXNSSMCTSA-N 2 1 346.519 3.121 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC(C)(C)C)C2)C1CC1 ZINC001040239907 1345389861 /nfs/dbraw/zinc/38/98/61/1345389861.db2.gz ASAICOQHRUPEBY-GHTZIAJQSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040480102 1345513940 /nfs/dbraw/zinc/51/39/40/1345513940.db2.gz RTVVPMCUZRADRH-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040701728 1345567774 /nfs/dbraw/zinc/56/77/74/1345567774.db2.gz OLNJWVSESIGIBS-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001040850159 1345588296 /nfs/dbraw/zinc/58/82/96/1345588296.db2.gz ZKYFECKHGZUGSD-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041288572 1345694623 /nfs/dbraw/zinc/69/46/23/1345694623.db2.gz YFMBZGOIFBFXBY-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041335745 1345705595 /nfs/dbraw/zinc/70/55/95/1345705595.db2.gz CTHSOFDMFKHMNH-IBGZPJMESA-N 2 1 349.544 3.148 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042124604 1345950479 /nfs/dbraw/zinc/95/04/79/1345950479.db2.gz IQTGSUMYTAYYOH-IEBWSBKVSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21 ZINC001042124604 1345950480 /nfs/dbraw/zinc/95/04/80/1345950480.db2.gz IQTGSUMYTAYYOH-IEBWSBKVSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001042124604 1345950481 /nfs/dbraw/zinc/95/04/81/1345950481.db2.gz IQTGSUMYTAYYOH-IEBWSBKVSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001042715123 1346109563 /nfs/dbraw/zinc/10/95/63/1346109563.db2.gz NURREQHORIHDMG-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001042715123 1346109564 /nfs/dbraw/zinc/10/95/64/1346109564.db2.gz NURREQHORIHDMG-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001043519098 1346186179 /nfs/dbraw/zinc/18/61/79/1346186179.db2.gz AFBAMLZHRXDFSI-LJQANCHMSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001044085890 1346245113 /nfs/dbraw/zinc/24/51/13/1346245113.db2.gz ANFDHPBFFFOBMR-FQEVSTJZSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]([NH2+]CC2CCC2)C[C@@H]1C ZINC001044766764 1346424081 /nfs/dbraw/zinc/42/40/81/1346424081.db2.gz LTRWUYHUKWOXPW-WMZOPIPTSA-N 2 1 346.519 3.166 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CCCCCC2)CC[N@H+]1C ZINC001045044568 1346484852 /nfs/dbraw/zinc/48/48/52/1346484852.db2.gz NPWNRWVETLZVFO-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001045438685 1346594091 /nfs/dbraw/zinc/59/40/91/1346594091.db2.gz VTVIHMLHYHYWED-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001045461869 1346599985 /nfs/dbraw/zinc/59/99/85/1346599985.db2.gz RKZYKICUBNGAGE-KRWDZBQOSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001045584550 1346637139 /nfs/dbraw/zinc/63/71/39/1346637139.db2.gz GRRMGAZAIPIGFY-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001045792897 1346700016 /nfs/dbraw/zinc/70/00/16/1346700016.db2.gz IRXHNWQUZCUQSC-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001045792897 1346700021 /nfs/dbraw/zinc/70/00/21/1346700021.db2.gz IRXHNWQUZCUQSC-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001045792897 1346700023 /nfs/dbraw/zinc/70/00/23/1346700023.db2.gz IRXHNWQUZCUQSC-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001045895593 1346736455 /nfs/dbraw/zinc/73/64/55/1346736455.db2.gz KKWUGIJDFOHBDB-QYZOEREBSA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001045895593 1346736458 /nfs/dbraw/zinc/73/64/58/1346736458.db2.gz KKWUGIJDFOHBDB-QYZOEREBSA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001045895593 1346736459 /nfs/dbraw/zinc/73/64/59/1346736459.db2.gz KKWUGIJDFOHBDB-QYZOEREBSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045943732 1346779058 /nfs/dbraw/zinc/77/90/58/1346779058.db2.gz NKMCVCPUZMXINT-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001045943732 1346779059 /nfs/dbraw/zinc/77/90/59/1346779059.db2.gz NKMCVCPUZMXINT-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001045943732 1346779061 /nfs/dbraw/zinc/77/90/61/1346779061.db2.gz NKMCVCPUZMXINT-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001045972562 1346808218 /nfs/dbraw/zinc/80/82/18/1346808218.db2.gz DSXSKEOASMAEHB-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001045972562 1346808222 /nfs/dbraw/zinc/80/82/22/1346808222.db2.gz DSXSKEOASMAEHB-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001045972562 1346808225 /nfs/dbraw/zinc/80/82/25/1346808225.db2.gz DSXSKEOASMAEHB-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045983831 1346823944 /nfs/dbraw/zinc/82/39/44/1346823944.db2.gz RMEKXDLPVNMYJZ-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045984760 1346825267 /nfs/dbraw/zinc/82/52/67/1346825267.db2.gz IFUHARCGYVZLPA-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001045984760 1346825270 /nfs/dbraw/zinc/82/52/70/1346825270.db2.gz IFUHARCGYVZLPA-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045984760 1346825274 /nfs/dbraw/zinc/82/52/74/1346825274.db2.gz IFUHARCGYVZLPA-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@]1(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+](CCC2CC2)C1 ZINC001046315506 1346931268 /nfs/dbraw/zinc/93/12/68/1346931268.db2.gz XBORKRGPRDGANX-GHTZIAJQSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@]1(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+](CCC2CC2)C1 ZINC001046315506 1346931272 /nfs/dbraw/zinc/93/12/72/1346931272.db2.gz XBORKRGPRDGANX-GHTZIAJQSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@]1(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](CCC2CC2)C1 ZINC001046315506 1346931274 /nfs/dbraw/zinc/93/12/74/1346931274.db2.gz XBORKRGPRDGANX-GHTZIAJQSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](CC3=CCCCC3)C2)C1 ZINC001046375730 1346954755 /nfs/dbraw/zinc/95/47/55/1346954755.db2.gz OYKIIOFXJGRJCU-FPOVZHCZSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001046375730 1346954757 /nfs/dbraw/zinc/95/47/57/1346954757.db2.gz OYKIIOFXJGRJCU-FPOVZHCZSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001046375730 1346954758 /nfs/dbraw/zinc/95/47/58/1346954758.db2.gz OYKIIOFXJGRJCU-FPOVZHCZSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@]1(NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+](CC2CCCCC2)C1 ZINC001046487215 1346991686 /nfs/dbraw/zinc/99/16/86/1346991686.db2.gz RHPMPENYRMMJAC-HXUWFJFHSA-N 2 1 340.471 3.109 20 0 EGADMP C[C@@]1(NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+](CCCC2CCC2)C1 ZINC001046487312 1346992120 /nfs/dbraw/zinc/99/21/20/1346992120.db2.gz UDXPIPAPJZRPMC-HXUWFJFHSA-N 2 1 340.471 3.109 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@]2(C)CC[NH+](CCC(C)(C)C)C2)C1 ZINC001046561039 1347017365 /nfs/dbraw/zinc/01/73/65/1347017365.db2.gz AVIXJUVQFAXXOX-YLJYHZDGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001046561039 1347017368 /nfs/dbraw/zinc/01/73/68/1347017368.db2.gz AVIXJUVQFAXXOX-YLJYHZDGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001046561039 1347017370 /nfs/dbraw/zinc/01/73/70/1347017370.db2.gz AVIXJUVQFAXXOX-YLJYHZDGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@]2(C)CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001046561947 1347017954 /nfs/dbraw/zinc/01/79/54/1347017954.db2.gz JYCMGIBOPRLRIV-GHTZIAJQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@]2(C)CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001046561947 1347017955 /nfs/dbraw/zinc/01/79/55/1347017955.db2.gz JYCMGIBOPRLRIV-GHTZIAJQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@]2(C)CC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001046561947 1347017958 /nfs/dbraw/zinc/01/79/58/1347017958.db2.gz JYCMGIBOPRLRIV-GHTZIAJQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@]2(C)CC[NH+](CCC3CCCC3)C2)C1 ZINC001046561996 1347018275 /nfs/dbraw/zinc/01/82/75/1347018275.db2.gz LCENLLJFMKBVDT-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCC3CCCC3)C2)C1 ZINC001046561996 1347018277 /nfs/dbraw/zinc/01/82/77/1347018277.db2.gz LCENLLJFMKBVDT-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001046561996 1347018280 /nfs/dbraw/zinc/01/82/80/1347018280.db2.gz LCENLLJFMKBVDT-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC3=CCCCC3)C2)C1 ZINC001046562842 1347018561 /nfs/dbraw/zinc/01/85/61/1347018561.db2.gz SKZNKYWUGRKJMW-CTNGQTDRSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001046562842 1347018563 /nfs/dbraw/zinc/01/85/63/1347018563.db2.gz SKZNKYWUGRKJMW-CTNGQTDRSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001046562842 1347018567 /nfs/dbraw/zinc/01/85/67/1347018567.db2.gz SKZNKYWUGRKJMW-CTNGQTDRSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+](CCC2CCCCCC2)C1 ZINC001046776883 1347095242 /nfs/dbraw/zinc/09/52/42/1347095242.db2.gz LSTJHBOQVDYEGM-FQEVSTJZSA-N 2 1 347.547 3.023 20 0 EGADMP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001047240951 1347266840 /nfs/dbraw/zinc/26/68/40/1347266840.db2.gz LYMCNXBYNXJZDA-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001047870101 1347394590 /nfs/dbraw/zinc/39/45/90/1347394590.db2.gz UEDMXPPYIDIVHB-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC=C(C)C ZINC001048530182 1347579880 /nfs/dbraw/zinc/57/98/80/1347579880.db2.gz HWWXZFCMSBMRFT-IYWMVGAKSA-N 2 1 347.547 3.186 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C ZINC001048530182 1347579882 /nfs/dbraw/zinc/57/98/82/1347579882.db2.gz HWWXZFCMSBMRFT-IYWMVGAKSA-N 2 1 347.547 3.186 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001048530182 1347579884 /nfs/dbraw/zinc/57/98/84/1347579884.db2.gz HWWXZFCMSBMRFT-IYWMVGAKSA-N 2 1 347.547 3.186 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001048537382 1347583382 /nfs/dbraw/zinc/58/33/82/1347583382.db2.gz RFJMTMKHWUCLGY-REPLKXPHSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CC(C)C)C1 ZINC001048556972 1347591428 /nfs/dbraw/zinc/59/14/28/1347591428.db2.gz ABYXHRAVADNNIB-HAGHYFMRSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC(C)C)C1 ZINC001048556972 1347591430 /nfs/dbraw/zinc/59/14/30/1347591430.db2.gz ABYXHRAVADNNIB-HAGHYFMRSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(C)C)C1 ZINC001048556972 1347591432 /nfs/dbraw/zinc/59/14/32/1347591432.db2.gz ABYXHRAVADNNIB-HAGHYFMRSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048582991 1347605061 /nfs/dbraw/zinc/60/50/61/1347605061.db2.gz BNJSDOCTCAXCJO-LTFPLMDUSA-N 2 1 349.563 3.122 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001048589964 1347609176 /nfs/dbraw/zinc/60/91/76/1347609176.db2.gz DZOLKQCNEXGPCR-FCGDIQPGSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001048589964 1347609179 /nfs/dbraw/zinc/60/91/79/1347609179.db2.gz DZOLKQCNEXGPCR-FCGDIQPGSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001048589964 1347609181 /nfs/dbraw/zinc/60/91/81/1347609181.db2.gz DZOLKQCNEXGPCR-FCGDIQPGSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001048590739 1347609750 /nfs/dbraw/zinc/60/97/50/1347609750.db2.gz XRRCJXMXIFGNLL-GGPHIMKMSA-N 2 1 343.515 3.129 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](C[C@H](C)CC)C[C@@H]2C1 ZINC001049165298 1347737403 /nfs/dbraw/zinc/73/74/03/1347737403.db2.gz LWNPFTQDXQYRRL-YSTOQKLRSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)CC)C[C@@H]2C1 ZINC001049165298 1347737405 /nfs/dbraw/zinc/73/74/05/1347737405.db2.gz LWNPFTQDXQYRRL-YSTOQKLRSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@H](C)CC)C[C@@H]2C1 ZINC001049165298 1347737406 /nfs/dbraw/zinc/73/74/06/1347737406.db2.gz LWNPFTQDXQYRRL-YSTOQKLRSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1=CCCCC1 ZINC001049370509 1347808708 /nfs/dbraw/zinc/80/87/08/1347808708.db2.gz VYBQTEZKAXDCHY-HSALFYBXSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1=CCCCC1 ZINC001049370509 1347808712 /nfs/dbraw/zinc/80/87/12/1347808712.db2.gz VYBQTEZKAXDCHY-HSALFYBXSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1=CCCCC1 ZINC001049370509 1347808716 /nfs/dbraw/zinc/80/87/16/1347808716.db2.gz VYBQTEZKAXDCHY-HSALFYBXSA-N 2 1 345.531 3.036 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCC(C)(C)C)CC[N@H+]1C ZINC001049483340 1347871011 /nfs/dbraw/zinc/87/10/11/1347871011.db2.gz VYHMQPRMQTYDGV-MANSERQUSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001049483340 1347871014 /nfs/dbraw/zinc/87/10/14/1347871014.db2.gz VYHMQPRMQTYDGV-MANSERQUSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001049483340 1347871015 /nfs/dbraw/zinc/87/10/15/1347871015.db2.gz VYHMQPRMQTYDGV-MANSERQUSA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049524957 1347892491 /nfs/dbraw/zinc/89/24/91/1347892491.db2.gz OTKPUXNDGDRYQG-AQNXPRMDSA-N 2 1 347.547 3.259 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001049524957 1347892492 /nfs/dbraw/zinc/89/24/92/1347892492.db2.gz OTKPUXNDGDRYQG-AQNXPRMDSA-N 2 1 347.547 3.259 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001049524957 1347892495 /nfs/dbraw/zinc/89/24/95/1347892495.db2.gz OTKPUXNDGDRYQG-AQNXPRMDSA-N 2 1 347.547 3.259 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1=CCCCC1)[NH+](C)C ZINC001049532372 1347895044 /nfs/dbraw/zinc/89/50/44/1347895044.db2.gz IHDUVGJOCBGRHL-AQNXPRMDSA-N 2 1 347.547 3.138 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049535843 1347896983 /nfs/dbraw/zinc/89/69/83/1347896983.db2.gz KJXUILOATCFFEZ-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001049535843 1347896987 /nfs/dbraw/zinc/89/69/87/1347896987.db2.gz KJXUILOATCFFEZ-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001049535843 1347896990 /nfs/dbraw/zinc/89/69/90/1347896990.db2.gz KJXUILOATCFFEZ-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCC1)[NH+]1CCCC1 ZINC001049630618 1347943563 /nfs/dbraw/zinc/94/35/63/1347943563.db2.gz RPZTZXHBNKGCQJ-RBUKOAKNSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCC1CCC1 ZINC001049725178 1347991375 /nfs/dbraw/zinc/99/13/75/1347991375.db2.gz VSJKHPNRIXJUSD-MISYRCLQSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC1CCC1 ZINC001049725178 1347991378 /nfs/dbraw/zinc/99/13/78/1347991378.db2.gz VSJKHPNRIXJUSD-MISYRCLQSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC1CCC1 ZINC001049725178 1347991379 /nfs/dbraw/zinc/99/13/79/1347991379.db2.gz VSJKHPNRIXJUSD-MISYRCLQSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001049768087 1348011542 /nfs/dbraw/zinc/01/15/42/1348011542.db2.gz SKUKAKGKAHRMOY-AQNXPRMDSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049768087 1348011546 /nfs/dbraw/zinc/01/15/46/1348011546.db2.gz SKUKAKGKAHRMOY-AQNXPRMDSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049768087 1348011549 /nfs/dbraw/zinc/01/15/49/1348011549.db2.gz SKUKAKGKAHRMOY-AQNXPRMDSA-N 2 1 347.547 3.281 20 0 EGADMP C[NH+]1CCC(CC(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCC(C)(C)C)CC1 ZINC001049767751 1348011669 /nfs/dbraw/zinc/01/16/69/1348011669.db2.gz QYJDJCMKTRAHAK-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001050050176 1348165892 /nfs/dbraw/zinc/16/58/92/1348165892.db2.gz WLMVXIMHTCKCHZ-FGTMMUONSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001050050176 1348165893 /nfs/dbraw/zinc/16/58/93/1348165893.db2.gz WLMVXIMHTCKCHZ-FGTMMUONSA-N 2 1 346.519 3.120 20 0 EGADMP C[C@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001050265227 1348222772 /nfs/dbraw/zinc/22/27/72/1348222772.db2.gz LMKNYQLLYYYOHB-OXJNMPFZSA-N 2 1 343.515 3.238 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC001050367235 1348240461 /nfs/dbraw/zinc/24/04/61/1348240461.db2.gz JKPJYODEHOKXEV-ZHALLVOQSA-N 2 1 349.563 3.029 20 0 EGADMP CCCC[NH+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)CC1 ZINC001050525117 1348283269 /nfs/dbraw/zinc/28/32/69/1348283269.db2.gz RRPLWIZOAMKOGH-KRWDZBQOSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC3(C2)CC[NH+](CCC(C)C)CC3)C1 ZINC001050629861 1348308587 /nfs/dbraw/zinc/30/85/87/1348308587.db2.gz HTXYZSCQAXJUNO-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001079849511 1357400783 /nfs/dbraw/zinc/40/07/83/1357400783.db2.gz UARPZIKGIFFMEC-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C ZINC001079849511 1357400786 /nfs/dbraw/zinc/40/07/86/1357400786.db2.gz UARPZIKGIFFMEC-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C ZINC001079849511 1357400791 /nfs/dbraw/zinc/40/07/91/1357400791.db2.gz UARPZIKGIFFMEC-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001051348550 1348439557 /nfs/dbraw/zinc/43/95/57/1348439557.db2.gz MDSWIJMEKLTSIU-MISYRCLQSA-N 2 1 343.515 3.121 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052369449 1348534293 /nfs/dbraw/zinc/53/42/93/1348534293.db2.gz RCTAUJUXVLELEG-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC001052369449 1348534296 /nfs/dbraw/zinc/53/42/96/1348534296.db2.gz RCTAUJUXVLELEG-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001052369449 1348534297 /nfs/dbraw/zinc/53/42/97/1348534297.db2.gz RCTAUJUXVLELEG-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)CC1)[NH+]1CCCCC1 ZINC001052377725 1348535624 /nfs/dbraw/zinc/53/56/24/1348535624.db2.gz QRWFWIWSVOGDDE-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381383 1348536868 /nfs/dbraw/zinc/53/68/68/1348536868.db2.gz PRYDSNMRCXUQGJ-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052381383 1348536869 /nfs/dbraw/zinc/53/68/69/1348536869.db2.gz PRYDSNMRCXUQGJ-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052381383 1348536872 /nfs/dbraw/zinc/53/68/72/1348536872.db2.gz PRYDSNMRCXUQGJ-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CCC3CCCCC3)CC2)CC[N@H+]1C ZINC001052390443 1348539100 /nfs/dbraw/zinc/53/91/00/1348539100.db2.gz GEXBTBJSKWBSLD-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](CCC3CCCCC3)CC2)CC[NH+]1C ZINC001052390443 1348539103 /nfs/dbraw/zinc/53/91/03/1348539103.db2.gz GEXBTBJSKWBSLD-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCC3CCCCC3)CC2)CC[NH+]1C ZINC001052390443 1348539106 /nfs/dbraw/zinc/53/91/06/1348539106.db2.gz GEXBTBJSKWBSLD-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448298 1348544113 /nfs/dbraw/zinc/54/41/13/1348544113.db2.gz XBAURIBZSQSNOW-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052448298 1348544114 /nfs/dbraw/zinc/54/41/14/1348544114.db2.gz XBAURIBZSQSNOW-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052448298 1348544118 /nfs/dbraw/zinc/54/41/18/1348544118.db2.gz XBAURIBZSQSNOW-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052499215 1348559562 /nfs/dbraw/zinc/55/95/62/1348559562.db2.gz QHYRQGQUWHSZFU-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001052499215 1348559563 /nfs/dbraw/zinc/55/95/63/1348559563.db2.gz QHYRQGQUWHSZFU-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001052499215 1348559565 /nfs/dbraw/zinc/55/95/65/1348559565.db2.gz QHYRQGQUWHSZFU-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515298 1348563734 /nfs/dbraw/zinc/56/37/34/1348563734.db2.gz CSZRPQITAQGNMS-RBUKOAKNSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515298 1348563736 /nfs/dbraw/zinc/56/37/36/1348563736.db2.gz CSZRPQITAQGNMS-RBUKOAKNSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515298 1348563737 /nfs/dbraw/zinc/56/37/37/1348563737.db2.gz CSZRPQITAQGNMS-RBUKOAKNSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052715581 1348645374 /nfs/dbraw/zinc/64/53/74/1348645374.db2.gz GASDQNNDUBNVDO-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC001052715581 1348645377 /nfs/dbraw/zinc/64/53/77/1348645377.db2.gz GASDQNNDUBNVDO-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001052715581 1348645378 /nfs/dbraw/zinc/64/53/78/1348645378.db2.gz GASDQNNDUBNVDO-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CCCC3CCC3)CC2)C1 ZINC001052716707 1348646474 /nfs/dbraw/zinc/64/64/74/1348646474.db2.gz OXCMNBPWEFNFMP-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCCC3CCC3)CC2)C1 ZINC001052716707 1348646476 /nfs/dbraw/zinc/64/64/76/1348646476.db2.gz OXCMNBPWEFNFMP-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCCC3CCC3)CC2)C1 ZINC001052716707 1348646478 /nfs/dbraw/zinc/64/64/78/1348646478.db2.gz OXCMNBPWEFNFMP-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052758403 1348666428 /nfs/dbraw/zinc/66/64/28/1348666428.db2.gz UUEJBYMUUDQOIT-QGZVFWFLSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052758403 1348666430 /nfs/dbraw/zinc/66/64/30/1348666430.db2.gz UUEJBYMUUDQOIT-QGZVFWFLSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC001052764379 1348669166 /nfs/dbraw/zinc/66/91/66/1348669166.db2.gz NSCHIMJROIMJOR-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC001052764379 1348669167 /nfs/dbraw/zinc/66/91/67/1348669167.db2.gz NSCHIMJROIMJOR-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC001052764379 1348669169 /nfs/dbraw/zinc/66/91/69/1348669169.db2.gz NSCHIMJROIMJOR-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC001052767625 1348671470 /nfs/dbraw/zinc/67/14/70/1348671470.db2.gz XKVNBPXLVGKZBK-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857528 1348704535 /nfs/dbraw/zinc/70/45/35/1348704535.db2.gz OHSJBEOKLHDXEU-HXUWFJFHSA-N 2 1 349.563 3.125 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001052873361 1348712679 /nfs/dbraw/zinc/71/26/79/1348712679.db2.gz OTDGDIICWWWUNL-MRXNPFEDSA-N 2 1 346.519 3.168 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001052873361 1348712681 /nfs/dbraw/zinc/71/26/81/1348712681.db2.gz OTDGDIICWWWUNL-MRXNPFEDSA-N 2 1 346.519 3.168 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC001052955184 1348769293 /nfs/dbraw/zinc/76/92/93/1348769293.db2.gz AIDOQFFMHDNNCS-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC001052955184 1348769295 /nfs/dbraw/zinc/76/92/95/1348769295.db2.gz AIDOQFFMHDNNCS-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccsc2)CC1 ZINC001052955184 1348769300 /nfs/dbraw/zinc/76/93/00/1348769300.db2.gz AIDOQFFMHDNNCS-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP C[C@H](F)CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052956857 1348771066 /nfs/dbraw/zinc/77/10/66/1348771066.db2.gz AHZRAWRACYQOJH-FUHWJXTLSA-N 2 1 349.494 3.081 20 0 EGADMP CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001053029103 1348828581 /nfs/dbraw/zinc/82/85/81/1348828581.db2.gz YNQGTNNCPTXINN-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053100200 1348933471 /nfs/dbraw/zinc/93/34/71/1348933471.db2.gz FERYQIJPRNDKTK-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159461 1349161572 /nfs/dbraw/zinc/16/15/72/1349161572.db2.gz VSWNPXXMLJNQEO-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159461 1349161579 /nfs/dbraw/zinc/16/15/79/1349161579.db2.gz VSWNPXXMLJNQEO-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159461 1349161582 /nfs/dbraw/zinc/16/15/82/1349161582.db2.gz VSWNPXXMLJNQEO-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1)[NH+](C)C ZINC001054198735 1349200923 /nfs/dbraw/zinc/20/09/23/1349200923.db2.gz FPCZTDAMCZFUOA-GHTZIAJQSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1)[NH+](C)C ZINC001054199217 1349201669 /nfs/dbraw/zinc/20/16/69/1349201669.db2.gz QEGVNXCLEDXCHP-FXAWDEMLSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1sc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cc1Br ZINC001232295981 1376433528 /nfs/dbraw/zinc/43/35/28/1376433528.db2.gz QOSVZFHUIJDQCU-UHFFFAOYSA-N 2 1 329.307 3.347 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC3CCCCC3)C[C@H]2C)C1 ZINC001080311054 1357568880 /nfs/dbraw/zinc/56/88/80/1357568880.db2.gz PPNGDGITYHCTMI-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCCCC3)C[C@H]2C)C1 ZINC001080311054 1357568883 /nfs/dbraw/zinc/56/88/83/1357568883.db2.gz PPNGDGITYHCTMI-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCCCC3)C[C@H]2C)C1 ZINC001080311054 1357568885 /nfs/dbraw/zinc/56/88/85/1357568885.db2.gz PPNGDGITYHCTMI-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCC3CCCCCC3)C[C@H]2C)C1 ZINC001080449498 1357623915 /nfs/dbraw/zinc/62/39/15/1357623915.db2.gz NIONFYFUKZGPPX-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCC3CCCCCC3)C[C@H]2C)C1 ZINC001080449498 1357623918 /nfs/dbraw/zinc/62/39/18/1357623918.db2.gz NIONFYFUKZGPPX-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]2C)C1 ZINC001080449498 1357623921 /nfs/dbraw/zinc/62/39/21/1357623921.db2.gz NIONFYFUKZGPPX-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C ZINC001080531708 1357665564 /nfs/dbraw/zinc/66/55/64/1357665564.db2.gz DQPDVKMHYAADAQ-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C ZINC001080531708 1357665565 /nfs/dbraw/zinc/66/55/65/1357665565.db2.gz DQPDVKMHYAADAQ-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071628182 1354811619 /nfs/dbraw/zinc/81/16/19/1354811619.db2.gz NYTNFVIZPOTYBL-RDJZCZTQSA-N 2 1 340.471 3.192 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071895972 1355011131 /nfs/dbraw/zinc/01/11/31/1355011131.db2.gz CRVUZEARPDSFCR-XLIONFOSSA-N 2 1 343.515 3.297 20 0 EGADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001072301110 1355228511 /nfs/dbraw/zinc/22/85/11/1355228511.db2.gz NMTCRUMCPUZMCF-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073126120 1355610348 /nfs/dbraw/zinc/61/03/48/1355610348.db2.gz WQDDLEVTZZAGFB-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1=CCCCC1)[NH+](C)C ZINC001074028735 1356042734 /nfs/dbraw/zinc/04/27/34/1356042734.db2.gz JAGUTQMHRGUIRR-RTBURBONSA-N 2 1 335.536 3.140 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001074101432 1356084232 /nfs/dbraw/zinc/08/42/32/1356084232.db2.gz MJBFFSXVAJLZGG-SOAGJPPSSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001074565027 1356209808 /nfs/dbraw/zinc/20/98/08/1356209808.db2.gz OBECKYGEYGFWGM-YTQUADARSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CC3CCCCC3)[C@@H]2C)C1 ZINC001074684134 1356223743 /nfs/dbraw/zinc/22/37/43/1356223743.db2.gz GQVTYAMUQADSCB-SXLOBPIMSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)[C@@H]1C ZINC001074686152 1356224646 /nfs/dbraw/zinc/22/46/46/1356224646.db2.gz SCZFWHWHVXNRPJ-SZMVWBNQSA-N 2 1 349.544 3.090 20 0 EGADMP CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C)c1ccccc1 ZINC001074809596 1356249898 /nfs/dbraw/zinc/24/98/98/1356249898.db2.gz UAZDFCUBURDZGN-LEAZDLGRSA-N 2 1 343.515 3.201 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)[C@@H]2C)C1 ZINC001074824849 1356256552 /nfs/dbraw/zinc/25/65/52/1356256552.db2.gz ZKLGGRSZFWJARV-SXLOBPIMSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001183256390 1387286571 /nfs/dbraw/zinc/28/65/71/1387286571.db2.gz VIGKUYNBHQNCTN-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001099315156 1363745429 /nfs/dbraw/zinc/74/54/29/1363745429.db2.gz BYIFLOFVRREROT-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1 ZINC001099315156 1363745430 /nfs/dbraw/zinc/74/54/30/1363745430.db2.gz BYIFLOFVRREROT-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCCC1 ZINC001099315156 1363745433 /nfs/dbraw/zinc/74/54/33/1363745433.db2.gz BYIFLOFVRREROT-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001082558342 1358056919 /nfs/dbraw/zinc/05/69/19/1358056919.db2.gz LGVQKHJKALXOJC-YZGWKJHDSA-N 2 1 347.547 3.186 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC001082705517 1358078611 /nfs/dbraw/zinc/07/86/11/1358078611.db2.gz IQVDATIWRKOHOA-LCLWPZTBSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001082783318 1358092491 /nfs/dbraw/zinc/09/24/91/1358092491.db2.gz QUYVJXBUWLFUSA-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084963257 1358355597 /nfs/dbraw/zinc/35/55/97/1358355597.db2.gz IGXXLAZRZPDGFT-AABGKKOBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084963257 1358355598 /nfs/dbraw/zinc/35/55/98/1358355598.db2.gz IGXXLAZRZPDGFT-AABGKKOBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084963257 1358355599 /nfs/dbraw/zinc/35/55/99/1358355599.db2.gz IGXXLAZRZPDGFT-AABGKKOBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001085049752 1358377969 /nfs/dbraw/zinc/37/79/69/1358377969.db2.gz WQVZOAADSQFBGV-AQNXPRMDSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049752 1358377973 /nfs/dbraw/zinc/37/79/73/1358377973.db2.gz WQVZOAADSQFBGV-AQNXPRMDSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049752 1358377977 /nfs/dbraw/zinc/37/79/77/1358377977.db2.gz WQVZOAADSQFBGV-AQNXPRMDSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049778 1358378326 /nfs/dbraw/zinc/37/83/26/1358378326.db2.gz YKLBTYSCSQGBIM-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(C)C)[C@H]2C1 ZINC001085072756 1358383203 /nfs/dbraw/zinc/38/32/03/1358383203.db2.gz SXVFFWCQRGGDJY-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(C)C)[C@H]2C1 ZINC001085072756 1358383208 /nfs/dbraw/zinc/38/32/08/1358383208.db2.gz SXVFFWCQRGGDJY-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(C)C)[C@H]2C1 ZINC001085072756 1358383211 /nfs/dbraw/zinc/38/32/11/1358383211.db2.gz SXVFFWCQRGGDJY-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001085152619 1358413462 /nfs/dbraw/zinc/41/34/62/1358413462.db2.gz KXGXEJCUHMHHST-QRVBRYPASA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085199407 1358432304 /nfs/dbraw/zinc/43/23/04/1358432304.db2.gz KAQZSJYPJPDOTD-DFQSSKMNSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085199672 1358432372 /nfs/dbraw/zinc/43/23/72/1358432372.db2.gz XORVDWXVESIMGK-QXAKKESOSA-N 2 1 335.536 3.066 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCCC2)CC[N@H+]1C ZINC001085204724 1358432697 /nfs/dbraw/zinc/43/26/97/1358432697.db2.gz GLTFPSVCISWJOF-MTQWCTHYSA-N 2 1 349.563 3.314 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCCCC2)C1 ZINC001085393857 1358487588 /nfs/dbraw/zinc/48/75/88/1358487588.db2.gz MYPSQAIACUHNHS-XUVXKRRUSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001085629428 1358646234 /nfs/dbraw/zinc/64/62/34/1358646234.db2.gz UDIKGFBXUOZCAG-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001085629428 1358646239 /nfs/dbraw/zinc/64/62/39/1358646239.db2.gz UDIKGFBXUOZCAG-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCCC1 ZINC001085629428 1358646242 /nfs/dbraw/zinc/64/62/42/1358646242.db2.gz UDIKGFBXUOZCAG-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2CCCCC2)C1 ZINC001085639947 1358653998 /nfs/dbraw/zinc/65/39/98/1358653998.db2.gz ZDUPPXXBYSINJV-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC2CCCCC2)C1 ZINC001085639947 1358653999 /nfs/dbraw/zinc/65/39/99/1358653999.db2.gz ZDUPPXXBYSINJV-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC2CCCCC2)C1 ZINC001085639947 1358654001 /nfs/dbraw/zinc/65/40/01/1358654001.db2.gz ZDUPPXXBYSINJV-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC(C)(C)C ZINC001085687684 1358688409 /nfs/dbraw/zinc/68/84/09/1358688409.db2.gz SUWBXQVBUBMRSI-ZWKOTPCHSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001085687684 1358688414 /nfs/dbraw/zinc/68/84/14/1358688414.db2.gz SUWBXQVBUBMRSI-ZWKOTPCHSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001085687684 1358688417 /nfs/dbraw/zinc/68/84/17/1358688417.db2.gz SUWBXQVBUBMRSI-ZWKOTPCHSA-N 2 1 337.552 3.076 20 0 EGADMP CN(C[C@H]1CC[N@@H+]1CCCC1CCC1)C(=O)c1occc1C[NH+](C)C ZINC001085788952 1358763160 /nfs/dbraw/zinc/76/31/60/1358763160.db2.gz XTKJMFOHJGYGQW-GOSISDBHSA-N 2 1 347.503 3.068 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCCC1CCC1)C(=O)c1occc1C[NH+](C)C ZINC001085788952 1358763165 /nfs/dbraw/zinc/76/31/65/1358763165.db2.gz XTKJMFOHJGYGQW-GOSISDBHSA-N 2 1 347.503 3.068 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1=CCCCC1 ZINC001085854868 1358822458 /nfs/dbraw/zinc/82/24/58/1358822458.db2.gz JPNLQZUHXOEZCK-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001085854868 1358822461 /nfs/dbraw/zinc/82/24/61/1358822461.db2.gz JPNLQZUHXOEZCK-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1=CCCCC1 ZINC001085854868 1358822464 /nfs/dbraw/zinc/82/24/64/1358822464.db2.gz JPNLQZUHXOEZCK-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086364500 1359078478 /nfs/dbraw/zinc/07/84/78/1359078478.db2.gz HQWDMCXCBLACCI-VAMGGRTRSA-N 2 1 347.547 3.234 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001086497453 1359120384 /nfs/dbraw/zinc/12/03/84/1359120384.db2.gz MKYPIDAXQDDJBY-UFYCRDLUSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086497289 1359120762 /nfs/dbraw/zinc/12/07/62/1359120762.db2.gz FZCKMLXHYPGTCR-WDSOQIARSA-N 2 1 349.563 3.170 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086558708 1359145099 /nfs/dbraw/zinc/14/50/99/1359145099.db2.gz LEOLMMWXHQADBP-WFAGLZIHSA-N 2 1 349.563 3.172 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956729 1359277561 /nfs/dbraw/zinc/27/75/61/1359277561.db2.gz WASSAOIEBAUXTO-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001087235972 1359328135 /nfs/dbraw/zinc/32/81/35/1359328135.db2.gz BSGNYAZLEABRRZ-HOJAQTOUSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1CC ZINC001087593609 1359547876 /nfs/dbraw/zinc/54/78/76/1359547876.db2.gz MWMZCICQXKPQHJ-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H]1CC ZINC001087593609 1359547877 /nfs/dbraw/zinc/54/78/77/1359547877.db2.gz MWMZCICQXKPQHJ-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)[C@@H]1CC ZINC001087593609 1359547880 /nfs/dbraw/zinc/54/78/80/1359547880.db2.gz MWMZCICQXKPQHJ-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@@H+]1CCC(C)(C)C ZINC001087601798 1359549846 /nfs/dbraw/zinc/54/98/46/1359549846.db2.gz KLVOAHDKLOIFSN-BBWFWOEESA-N 2 1 346.519 3.166 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@H+]1CCC(C)(C)C ZINC001087601798 1359549848 /nfs/dbraw/zinc/54/98/48/1359549848.db2.gz KLVOAHDKLOIFSN-BBWFWOEESA-N 2 1 346.519 3.166 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602609 1359550804 /nfs/dbraw/zinc/55/08/04/1359550804.db2.gz WLTFZYGMBPJGKA-IPMKNSEASA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087602609 1359550806 /nfs/dbraw/zinc/55/08/06/1359550806.db2.gz WLTFZYGMBPJGKA-IPMKNSEASA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087602609 1359550807 /nfs/dbraw/zinc/55/08/07/1359550807.db2.gz WLTFZYGMBPJGKA-IPMKNSEASA-N 2 1 335.536 3.163 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC[N@H+]1CC1CCCC1 ZINC001087671590 1359582688 /nfs/dbraw/zinc/58/26/88/1359582688.db2.gz GEJRPXQJHTVKGT-XUVXKRRUSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CCC(C)(C)C ZINC001087684963 1359588181 /nfs/dbraw/zinc/58/81/81/1359588181.db2.gz ZEQXQOAYQYKMOH-DLBZAZTESA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CCCC1CCC1 ZINC001087684968 1359588275 /nfs/dbraw/zinc/58/82/75/1359588275.db2.gz ZINCVZNTQCIBOA-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001087684557 1359588594 /nfs/dbraw/zinc/58/85/94/1359588594.db2.gz AALIGDZVYMINMZ-RBUKOAKNSA-N 2 1 343.515 3.030 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1CC ZINC001087728365 1359613962 /nfs/dbraw/zinc/61/39/62/1359613962.db2.gz SSLXXKRRBKEFFN-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1CC ZINC001087728365 1359613964 /nfs/dbraw/zinc/61/39/64/1359613964.db2.gz SSLXXKRRBKEFFN-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1CC ZINC001087728365 1359613967 /nfs/dbraw/zinc/61/39/67/1359613967.db2.gz SSLXXKRRBKEFFN-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCC1CCCCC1 ZINC001087829622 1359668285 /nfs/dbraw/zinc/66/82/85/1359668285.db2.gz NOSDFXBGXXVTOM-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCC1CCCCC1 ZINC001087829622 1359668287 /nfs/dbraw/zinc/66/82/87/1359668287.db2.gz NOSDFXBGXXVTOM-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001088327334 1359831349 /nfs/dbraw/zinc/83/13/49/1359831349.db2.gz LCXFVYZSNFJWAD-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001088394784 1359870914 /nfs/dbraw/zinc/87/09/14/1359870914.db2.gz ONGRHUZUOIXGEX-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1 ZINC001088411744 1359882652 /nfs/dbraw/zinc/88/26/52/1359882652.db2.gz PADCZWZVPPVAJU-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001088431528 1359899747 /nfs/dbraw/zinc/89/97/47/1359899747.db2.gz YUKBLXKISPGWLD-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)[C@@H]1C ZINC001088563845 1359974572 /nfs/dbraw/zinc/97/45/72/1359974572.db2.gz IXHMNHAVVSAUSW-YZGWKJHDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)[C@@H]1C ZINC001088563845 1359974573 /nfs/dbraw/zinc/97/45/73/1359974573.db2.gz IXHMNHAVVSAUSW-YZGWKJHDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)[C@@H]1C ZINC001088563845 1359974574 /nfs/dbraw/zinc/97/45/74/1359974574.db2.gz IXHMNHAVVSAUSW-YZGWKJHDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088693188 1360015380 /nfs/dbraw/zinc/01/53/80/1360015380.db2.gz ONGPSTXCAUMAOH-NZSAHSFTSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088693188 1360015388 /nfs/dbraw/zinc/01/53/88/1360015388.db2.gz ONGPSTXCAUMAOH-NZSAHSFTSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088693188 1360015395 /nfs/dbraw/zinc/01/53/95/1360015395.db2.gz ONGPSTXCAUMAOH-NZSAHSFTSA-N 2 1 349.563 3.122 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCC3CCCC3)[C@@H]2C)C1 ZINC001088810289 1360059244 /nfs/dbraw/zinc/05/92/44/1360059244.db2.gz UPIUOIYBAGGNAV-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CCC3CCCC3)[C@@H]2C)C1 ZINC001088810289 1360059247 /nfs/dbraw/zinc/05/92/47/1360059247.db2.gz UPIUOIYBAGGNAV-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC3CCCC3)[C@@H]2C)C1 ZINC001088810289 1360059250 /nfs/dbraw/zinc/05/92/50/1360059250.db2.gz UPIUOIYBAGGNAV-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCCC3CCC3)[C@@H]2C)C1 ZINC001088810315 1360059563 /nfs/dbraw/zinc/05/95/63/1360059563.db2.gz XPWQTYDDAVZTAR-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CCCC3CCC3)[C@@H]2C)C1 ZINC001088810315 1360059566 /nfs/dbraw/zinc/05/95/66/1360059566.db2.gz XPWQTYDDAVZTAR-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCC3CCC3)[C@@H]2C)C1 ZINC001088810315 1360059568 /nfs/dbraw/zinc/05/95/68/1360059568.db2.gz XPWQTYDDAVZTAR-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897563 1360097390 /nfs/dbraw/zinc/09/73/90/1360097390.db2.gz NQZSTHDEJDZDFU-RYRKJORJSA-N 2 1 349.544 3.092 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)[C@@H]1C ZINC001088970679 1360119535 /nfs/dbraw/zinc/11/95/35/1360119535.db2.gz KQHIHELUCOSATI-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC2)[C@@H]1C ZINC001088970679 1360119537 /nfs/dbraw/zinc/11/95/37/1360119537.db2.gz KQHIHELUCOSATI-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@@H]1C ZINC001088970679 1360119541 /nfs/dbraw/zinc/11/95/41/1360119541.db2.gz KQHIHELUCOSATI-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001089188720 1360238535 /nfs/dbraw/zinc/23/85/35/1360238535.db2.gz BGXGGSBGRBTTCF-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCC1)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001089188720 1360238537 /nfs/dbraw/zinc/23/85/37/1360238537.db2.gz BGXGGSBGRBTTCF-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCC1)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001089188720 1360238541 /nfs/dbraw/zinc/23/85/41/1360238541.db2.gz BGXGGSBGRBTTCF-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1)[NH+](C)C ZINC001089191757 1360240386 /nfs/dbraw/zinc/24/03/86/1360240386.db2.gz DSMQPYHVOVNJEU-ZWKOTPCHSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCC[C@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC001089227398 1360268713 /nfs/dbraw/zinc/26/87/13/1360268713.db2.gz SXVUXPJNIWKAOA-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC001089227398 1360268714 /nfs/dbraw/zinc/26/87/14/1360268714.db2.gz SXVUXPJNIWKAOA-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC001089227398 1360268718 /nfs/dbraw/zinc/26/87/18/1360268718.db2.gz SXVUXPJNIWKAOA-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089381790 1360383701 /nfs/dbraw/zinc/38/37/01/1360383701.db2.gz NYPKTCYFLQCOFQ-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC2)CC(C)(C)C1 ZINC001089381790 1360383702 /nfs/dbraw/zinc/38/37/02/1360383702.db2.gz NYPKTCYFLQCOFQ-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1 ZINC001089381790 1360383707 /nfs/dbraw/zinc/38/37/07/1360383707.db2.gz NYPKTCYFLQCOFQ-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1)[NH+]1CCCCC1 ZINC001089385279 1360386895 /nfs/dbraw/zinc/38/68/95/1360386895.db2.gz GCFUTWKHUGMERJ-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089406695 1360405027 /nfs/dbraw/zinc/40/50/27/1360405027.db2.gz QRJWLRHWJCXKHR-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089406695 1360405029 /nfs/dbraw/zinc/40/50/29/1360405029.db2.gz QRJWLRHWJCXKHR-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089406695 1360405033 /nfs/dbraw/zinc/40/50/33/1360405033.db2.gz QRJWLRHWJCXKHR-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1)[NH+]1CCCC1 ZINC001089459398 1360445911 /nfs/dbraw/zinc/44/59/11/1360445911.db2.gz VTJMNQHROUVTLN-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089477028 1360459702 /nfs/dbraw/zinc/45/97/02/1360459702.db2.gz JREQRXWLOLTTTH-QGZVFWFLSA-N 2 1 349.519 3.362 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CCC3CC3)CC(C)(C)C2)C1 ZINC001089487798 1360467863 /nfs/dbraw/zinc/46/78/63/1360467863.db2.gz OHLWQCRPFUXWPE-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCC3CC3)CC(C)(C)C2)C1 ZINC001089487798 1360467865 /nfs/dbraw/zinc/46/78/65/1360467865.db2.gz OHLWQCRPFUXWPE-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCC3CC3)CC(C)(C)C2)C1 ZINC001089487798 1360467867 /nfs/dbraw/zinc/46/78/67/1360467867.db2.gz OHLWQCRPFUXWPE-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493630 1360470612 /nfs/dbraw/zinc/47/06/12/1360470612.db2.gz YLVYDTGUVWTDTP-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493630 1360470613 /nfs/dbraw/zinc/47/06/13/1360470613.db2.gz YLVYDTGUVWTDTP-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493630 1360470614 /nfs/dbraw/zinc/47/06/14/1360470614.db2.gz YLVYDTGUVWTDTP-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089528019 1360491834 /nfs/dbraw/zinc/49/18/34/1360491834.db2.gz ZFKWNSYCEJTDET-IBGZPJMESA-N 2 1 349.563 3.291 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089564792 1360511693 /nfs/dbraw/zinc/51/16/93/1360511693.db2.gz JJWQDJAFDZTYHP-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC(C)(C)C1 ZINC001089564792 1360511696 /nfs/dbraw/zinc/51/16/96/1360511696.db2.gz JJWQDJAFDZTYHP-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1 ZINC001089564792 1360511697 /nfs/dbraw/zinc/51/16/97/1360511697.db2.gz JJWQDJAFDZTYHP-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001089707539 1360610882 /nfs/dbraw/zinc/61/08/82/1360610882.db2.gz MNMBWCNUICOVHG-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001089707539 1360610883 /nfs/dbraw/zinc/61/08/83/1360610883.db2.gz MNMBWCNUICOVHG-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2CC([NH2+]CC3CCCCC3)C2)C1 ZINC001091198411 1361004809 /nfs/dbraw/zinc/00/48/09/1361004809.db2.gz GDEKEFBEQMKAEW-GPJFCIFZSA-N 2 1 349.563 3.173 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001184577033 1387496559 /nfs/dbraw/zinc/49/65/59/1387496559.db2.gz KGOBQRIZYXYXLS-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001184609630 1387499977 /nfs/dbraw/zinc/49/99/77/1387499977.db2.gz REWJUMGJVDKGFI-PYTPGESOSA-N 2 1 335.536 3.188 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910125 1361243328 /nfs/dbraw/zinc/24/33/28/1361243328.db2.gz JKNNOHFFOSKPRO-NQIIRXRSSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCC1CCC1)CC2 ZINC001094379826 1361780082 /nfs/dbraw/zinc/78/00/82/1361780082.db2.gz CJKPTZCKOMEOQI-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCC1CCC1)CC2 ZINC001094379826 1361780086 /nfs/dbraw/zinc/78/00/86/1361780086.db2.gz CJKPTZCKOMEOQI-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC1CCC1)CC2 ZINC001094379826 1361780088 /nfs/dbraw/zinc/78/00/88/1361780088.db2.gz CJKPTZCKOMEOQI-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCC1)CC2 ZINC001094449914 1361805107 /nfs/dbraw/zinc/80/51/07/1361805107.db2.gz ZDPAHVJVMKHPCH-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2 ZINC001094449914 1361805109 /nfs/dbraw/zinc/80/51/09/1361805109.db2.gz ZDPAHVJVMKHPCH-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2 ZINC001094449914 1361805113 /nfs/dbraw/zinc/80/51/13/1361805113.db2.gz ZDPAHVJVMKHPCH-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(C)C)CC3)C1 ZINC001094493897 1361829780 /nfs/dbraw/zinc/82/97/80/1361829780.db2.gz VJVVFIBUSQBARQ-QKNQBKEWSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(C)C)CC3)C1 ZINC001094493897 1361829782 /nfs/dbraw/zinc/82/97/82/1361829782.db2.gz VJVVFIBUSQBARQ-QKNQBKEWSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(C)C)CC3)C1 ZINC001094493897 1361829785 /nfs/dbraw/zinc/82/97/85/1361829785.db2.gz VJVVFIBUSQBARQ-QKNQBKEWSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585301 1361871235 /nfs/dbraw/zinc/87/12/35/1361871235.db2.gz RPACKNUQLHFEHE-QWFCFKBJSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3CC)CCC[C@@H]12 ZINC001094585301 1361871238 /nfs/dbraw/zinc/87/12/38/1361871238.db2.gz RPACKNUQLHFEHE-QWFCFKBJSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3CC)CCC[C@@H]12 ZINC001094585301 1361871242 /nfs/dbraw/zinc/87/12/42/1361871242.db2.gz RPACKNUQLHFEHE-QWFCFKBJSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001095534027 1362163708 /nfs/dbraw/zinc/16/37/08/1362163708.db2.gz XABATMRWKGEJLH-YRXWBPOGSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001095534027 1362163709 /nfs/dbraw/zinc/16/37/09/1362163709.db2.gz XABATMRWKGEJLH-YRXWBPOGSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001095534027 1362163711 /nfs/dbraw/zinc/16/37/11/1362163711.db2.gz XABATMRWKGEJLH-YRXWBPOGSA-N 2 1 335.536 3.017 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001097343015 1362943602 /nfs/dbraw/zinc/94/36/02/1362943602.db2.gz DOSRWKNQBJVIQX-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001097343015 1362943605 /nfs/dbraw/zinc/94/36/05/1362943605.db2.gz DOSRWKNQBJVIQX-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001097343015 1362943608 /nfs/dbraw/zinc/94/36/08/1362943608.db2.gz DOSRWKNQBJVIQX-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001097343015 1362943614 /nfs/dbraw/zinc/94/36/14/1362943614.db2.gz DOSRWKNQBJVIQX-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115770 1363632263 /nfs/dbraw/zinc/63/22/63/1363632263.db2.gz JRFHHWURWGJTMB-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001099115770 1363632267 /nfs/dbraw/zinc/63/22/67/1363632267.db2.gz JRFHHWURWGJTMB-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001099115770 1363632268 /nfs/dbraw/zinc/63/22/68/1363632268.db2.gz JRFHHWURWGJTMB-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[NH+]1C/C=C/Cl ZINC001099130285 1363642010 /nfs/dbraw/zinc/64/20/10/1363642010.db2.gz KAXGZZGSMFRJCS-KUCQQTCKSA-N 2 1 343.943 3.076 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[NH+]1C/C=C/Cl ZINC001099130285 1363642012 /nfs/dbraw/zinc/64/20/12/1363642012.db2.gz KAXGZZGSMFRJCS-KUCQQTCKSA-N 2 1 343.943 3.076 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1C/C=C/Cl ZINC001099130285 1363642016 /nfs/dbraw/zinc/64/20/16/1363642016.db2.gz KAXGZZGSMFRJCS-KUCQQTCKSA-N 2 1 343.943 3.076 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1C/C=C/Cl ZINC001099130285 1363642019 /nfs/dbraw/zinc/64/20/19/1363642019.db2.gz KAXGZZGSMFRJCS-KUCQQTCKSA-N 2 1 343.943 3.076 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001099153402 1363659441 /nfs/dbraw/zinc/65/94/41/1363659441.db2.gz KFYAMKXVZPDCAR-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCC1)[NH+]1CCCC1 ZINC001099166328 1363665826 /nfs/dbraw/zinc/66/58/26/1363665826.db2.gz UQERWUACNAOBOP-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001099171833 1363670193 /nfs/dbraw/zinc/67/01/93/1363670193.db2.gz UZCGEMNRBOSTEE-ZGKJDNBHSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001099171833 1363670195 /nfs/dbraw/zinc/67/01/95/1363670195.db2.gz UZCGEMNRBOSTEE-ZGKJDNBHSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001099171833 1363670196 /nfs/dbraw/zinc/67/01/96/1363670196.db2.gz UZCGEMNRBOSTEE-ZGKJDNBHSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099215371 1363696657 /nfs/dbraw/zinc/69/66/57/1363696657.db2.gz UCUAAPNDJAGICI-ROUUACIJSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099215373 1363696674 /nfs/dbraw/zinc/69/66/74/1363696674.db2.gz UCUAAPNDJAGICI-ZWKOTPCHSA-N 2 1 339.568 3.227 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099239604 1363708555 /nfs/dbraw/zinc/70/85/55/1363708555.db2.gz HNBQWXLHEVMMOB-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001099239604 1363708557 /nfs/dbraw/zinc/70/85/57/1363708557.db2.gz HNBQWXLHEVMMOB-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001099239604 1363708561 /nfs/dbraw/zinc/70/85/61/1363708561.db2.gz HNBQWXLHEVMMOB-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(C)C ZINC001099270976 1363725217 /nfs/dbraw/zinc/72/52/17/1363725217.db2.gz RKVQJRNOEZLFKH-SFHVURJKSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(C)C ZINC001099270976 1363725219 /nfs/dbraw/zinc/72/52/19/1363725219.db2.gz RKVQJRNOEZLFKH-SFHVURJKSA-N 2 1 348.535 3.235 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCC(C)C ZINC001099275932 1363726746 /nfs/dbraw/zinc/72/67/46/1363726746.db2.gz LPULHNCXMHBUBA-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001099296428 1363736558 /nfs/dbraw/zinc/73/65/58/1363736558.db2.gz AVUKFKXJZPUVQF-BLGFXRMMSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001099296428 1363736562 /nfs/dbraw/zinc/73/65/62/1363736562.db2.gz AVUKFKXJZPUVQF-BLGFXRMMSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001099296428 1363736563 /nfs/dbraw/zinc/73/65/63/1363736563.db2.gz AVUKFKXJZPUVQF-BLGFXRMMSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001099316271 1363746528 /nfs/dbraw/zinc/74/65/28/1363746528.db2.gz PRBOOZPEOYEGNA-GIFJBRJJSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001099316271 1363746530 /nfs/dbraw/zinc/74/65/30/1363746530.db2.gz PRBOOZPEOYEGNA-GIFJBRJJSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001099316271 1363746534 /nfs/dbraw/zinc/74/65/34/1363746534.db2.gz PRBOOZPEOYEGNA-GIFJBRJJSA-N 2 1 337.552 3.291 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001099320760 1363748483 /nfs/dbraw/zinc/74/84/83/1363748483.db2.gz MDHDHISGWXTCDC-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001099320760 1363748490 /nfs/dbraw/zinc/74/84/90/1363748490.db2.gz MDHDHISGWXTCDC-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCC1 ZINC001099320760 1363748493 /nfs/dbraw/zinc/74/84/93/1363748493.db2.gz MDHDHISGWXTCDC-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001099348022 1363764929 /nfs/dbraw/zinc/76/49/29/1363764929.db2.gz FITAFOMZIWULJS-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099353802 1363767981 /nfs/dbraw/zinc/76/79/81/1363767981.db2.gz GMRFAIFTGCLHFV-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001100405687 1364104198 /nfs/dbraw/zinc/10/41/98/1364104198.db2.gz IZNDBTVXVFIPOA-AFMYVXGZSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC1CC([NH2+]CCCC2CCC2)C1 ZINC001100406058 1364104288 /nfs/dbraw/zinc/10/42/88/1364104288.db2.gz ZAFRFBKFDVHVHS-MHJFOBGBSA-N 2 1 349.563 3.314 20 0 EGADMP C[N@@H+](CC(=O)NCC1CC([NH2+]CC2CCCCC2)C1)CC(C)(C)C ZINC001100681203 1364215793 /nfs/dbraw/zinc/21/57/93/1364215793.db2.gz BFODVPXQHCFKAT-UHFFFAOYSA-N 2 1 337.552 3.029 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC([NH2+]CC(CC)CC)C1 ZINC001100765152 1364251802 /nfs/dbraw/zinc/25/18/02/1364251802.db2.gz VGELMXMWHYHDPB-UHFFFAOYSA-N 2 1 339.568 3.419 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCC2CC([NH2+]CCC3CCCCCC3)C2)C1 ZINC001100872862 1364305423 /nfs/dbraw/zinc/30/54/23/1364305423.db2.gz MGCYRXYNKHCYIG-XEVCZEQESA-N 2 1 349.563 3.173 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001100898446 1364320215 /nfs/dbraw/zinc/32/02/15/1364320215.db2.gz GFIYMCZRSUPWAJ-UHFFFAOYSA-N 2 1 335.536 3.093 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001101036026 1364383118 /nfs/dbraw/zinc/38/31/18/1364383118.db2.gz GZVRGIDMMYXRRY-XIMCWOHTSA-N 2 1 335.536 3.092 20 0 EGADMP CC(C)c1ccccc1C[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101036356 1364383788 /nfs/dbraw/zinc/38/37/88/1364383788.db2.gz NZVOZONIGLCAJW-UHFFFAOYSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001101550633 1364613558 /nfs/dbraw/zinc/61/35/58/1364613558.db2.gz SJTDXWUYPPTYCZ-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001101551685 1364614522 /nfs/dbraw/zinc/61/45/22/1364614522.db2.gz WIEYEFRJQOEYSL-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001101592224 1364643542 /nfs/dbraw/zinc/64/35/42/1364643542.db2.gz SOJFGJGVDBYCDB-NRFANRHFSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001101595856 1364646289 /nfs/dbraw/zinc/64/62/89/1364646289.db2.gz WSBRBPLHNSZVEL-UHFFFAOYSA-N 2 1 346.519 3.012 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C(C)(C)C[NH2+]C(C)C)CC1 ZINC001101597528 1364648224 /nfs/dbraw/zinc/64/82/24/1364648224.db2.gz OXAAPBRAYQTBTM-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC001324640991 1387713555 /nfs/dbraw/zinc/71/35/55/1387713555.db2.gz HJNQFUUNOXKMKD-SQEWALACSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375479 1365029232 /nfs/dbraw/zinc/02/92/32/1365029232.db2.gz LWHMQPRMZXLTGI-IEBWSBKVSA-N 2 1 349.563 3.149 20 0 EGADMP C[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102375479 1365029236 /nfs/dbraw/zinc/02/92/36/1365029236.db2.gz LWHMQPRMZXLTGI-IEBWSBKVSA-N 2 1 349.563 3.149 20 0 EGADMP C[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102375479 1365029238 /nfs/dbraw/zinc/02/92/38/1365029238.db2.gz LWHMQPRMZXLTGI-IEBWSBKVSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001185446461 1387718845 /nfs/dbraw/zinc/71/88/45/1387718845.db2.gz MKXGVFZPCDKIRB-HKVOBHHDSA-N 2 1 337.552 3.149 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CCC)[C@H](C)C1 ZINC001102524690 1365099432 /nfs/dbraw/zinc/09/94/32/1365099432.db2.gz RFJQADKOMITFCJ-FAPWYTRCSA-N 2 1 337.552 3.149 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CCC)[C@H](C)C1 ZINC001102524690 1365099434 /nfs/dbraw/zinc/09/94/34/1365099434.db2.gz RFJQADKOMITFCJ-FAPWYTRCSA-N 2 1 337.552 3.149 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001102524690 1365099436 /nfs/dbraw/zinc/09/94/36/1365099436.db2.gz RFJQADKOMITFCJ-FAPWYTRCSA-N 2 1 337.552 3.149 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001102524642 1365099614 /nfs/dbraw/zinc/09/96/14/1365099614.db2.gz PDUFYNRNABPRHC-IPMKNSEASA-N 2 1 339.568 3.085 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001102524642 1365099618 /nfs/dbraw/zinc/09/96/18/1365099618.db2.gz PDUFYNRNABPRHC-IPMKNSEASA-N 2 1 339.568 3.085 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001102524642 1365099622 /nfs/dbraw/zinc/09/96/22/1365099622.db2.gz PDUFYNRNABPRHC-IPMKNSEASA-N 2 1 339.568 3.085 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102598878 1365131390 /nfs/dbraw/zinc/13/13/90/1365131390.db2.gz DZNMEQJTKLYEBW-BGEOSOQGSA-N 2 1 349.563 3.293 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102782292 1365215649 /nfs/dbraw/zinc/21/56/49/1365215649.db2.gz KJESHYVOUCFIQL-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001102782292 1365215651 /nfs/dbraw/zinc/21/56/51/1365215651.db2.gz KJESHYVOUCFIQL-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001102782292 1365215655 /nfs/dbraw/zinc/21/56/55/1365215655.db2.gz KJESHYVOUCFIQL-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](CCCC(C)C)C[C@H]1C ZINC001103157910 1365414244 /nfs/dbraw/zinc/41/42/44/1365414244.db2.gz IPRQDLCJLWVGPD-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1C ZINC001103157910 1365414247 /nfs/dbraw/zinc/41/42/47/1365414247.db2.gz IPRQDLCJLWVGPD-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001103157910 1365414250 /nfs/dbraw/zinc/41/42/50/1365414250.db2.gz IPRQDLCJLWVGPD-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001103271644 1365465476 /nfs/dbraw/zinc/46/54/76/1365465476.db2.gz YIAIPTAPYXITSX-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001103271644 1365465478 /nfs/dbraw/zinc/46/54/78/1365465478.db2.gz YIAIPTAPYXITSX-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001103271644 1365465480 /nfs/dbraw/zinc/46/54/80/1365465480.db2.gz YIAIPTAPYXITSX-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001185546491 1387744537 /nfs/dbraw/zinc/74/45/37/1387744537.db2.gz CKMJBMPSHGZZDQ-PXEQJPNCSA-N 2 1 337.552 3.149 20 0 EGADMP CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001103360396 1365517267 /nfs/dbraw/zinc/51/72/67/1365517267.db2.gz CBAXIPRHJNGONM-GGPKGHCWSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001103360396 1365517270 /nfs/dbraw/zinc/51/72/70/1365517270.db2.gz CBAXIPRHJNGONM-GGPKGHCWSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001103360396 1365517275 /nfs/dbraw/zinc/51/72/75/1365517275.db2.gz CBAXIPRHJNGONM-GGPKGHCWSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001103426799 1365553341 /nfs/dbraw/zinc/55/33/41/1365553341.db2.gz NMPRAZJFYZBBFE-GUDVDZBRSA-N 2 1 339.568 3.371 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001103433240 1365557337 /nfs/dbraw/zinc/55/73/37/1365557337.db2.gz AJRQEYRVCJYOJV-PFRNKHFKSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001103433240 1365557341 /nfs/dbraw/zinc/55/73/41/1365557341.db2.gz AJRQEYRVCJYOJV-PFRNKHFKSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001103433240 1365557344 /nfs/dbraw/zinc/55/73/44/1365557344.db2.gz AJRQEYRVCJYOJV-PFRNKHFKSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001103433242 1365557468 /nfs/dbraw/zinc/55/74/68/1365557468.db2.gz AJRQEYRVCJYOJV-VMASUYHGSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001103433242 1365557471 /nfs/dbraw/zinc/55/74/71/1365557471.db2.gz AJRQEYRVCJYOJV-VMASUYHGSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001103433242 1365557473 /nfs/dbraw/zinc/55/74/73/1365557473.db2.gz AJRQEYRVCJYOJV-VMASUYHGSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001103439515 1365561738 /nfs/dbraw/zinc/56/17/38/1365561738.db2.gz GBLCPTOMJBGCGV-QZTJIDSGSA-N 2 1 337.552 3.005 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001103439515 1365561740 /nfs/dbraw/zinc/56/17/40/1365561740.db2.gz GBLCPTOMJBGCGV-QZTJIDSGSA-N 2 1 337.552 3.005 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001103439515 1365561741 /nfs/dbraw/zinc/56/17/41/1365561741.db2.gz GBLCPTOMJBGCGV-QZTJIDSGSA-N 2 1 337.552 3.005 20 0 EGADMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C)[NH+](C)C ZINC001103445150 1365564315 /nfs/dbraw/zinc/56/43/15/1365564315.db2.gz ZZJBJVVJGDEDTG-RLLQIKCJSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)NCC[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC001103634173 1365692029 /nfs/dbraw/zinc/69/20/29/1365692029.db2.gz QRSHQKFVTWMMTL-RTBURBONSA-N 2 1 339.568 3.371 20 0 EGADMP CC(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001103753347 1365765000 /nfs/dbraw/zinc/76/50/00/1365765000.db2.gz DCZBKIXBGOYPRG-QZTJIDSGSA-N 2 1 345.531 3.092 20 0 EGADMP CCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001104213557 1365954464 /nfs/dbraw/zinc/95/44/64/1365954464.db2.gz DTFUHUPHYSIWJF-FGTMMUONSA-N 2 1 348.535 3.271 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC[NH2+]CC1CCCCC1 ZINC001104294290 1365978105 /nfs/dbraw/zinc/97/81/05/1365978105.db2.gz HTRUDNWNMOEPKX-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001185707200 1387783224 /nfs/dbraw/zinc/78/32/24/1387783224.db2.gz YWDLCBRKILVJEX-MOPGFXCFSA-N 2 1 345.531 3.306 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)c1 ZINC001185731335 1387785912 /nfs/dbraw/zinc/78/59/12/1387785912.db2.gz RQSADOWFSJTDSE-PKOBYXMFSA-N 2 1 345.531 3.224 20 0 EGADMP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104682628 1366129878 /nfs/dbraw/zinc/12/98/78/1366129878.db2.gz XRNRZWBUHJEHCK-QZTJIDSGSA-N 2 1 337.552 3.005 20 0 EGADMP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104909084 1366219547 /nfs/dbraw/zinc/21/95/47/1366219547.db2.gz WOCWKOGFXJJQCC-VMASUYHGSA-N 2 1 349.563 3.149 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1(C)CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001324897406 1387809295 /nfs/dbraw/zinc/80/92/95/1387809295.db2.gz LIPXZSUOTWMTHZ-SFHVURJKSA-N 2 1 345.531 3.308 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([C@@H]2[NH+](C(C)C)CC23CCC3)CC1 ZINC001105393618 1366442023 /nfs/dbraw/zinc/44/20/23/1366442023.db2.gz CWQSGTQNHPCDDU-SFHVURJKSA-N 2 1 349.563 3.218 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC([C@@H]2[N@@H+](C(C)C)CC23CCC3)CC1 ZINC001105393618 1366442024 /nfs/dbraw/zinc/44/20/24/1366442024.db2.gz CWQSGTQNHPCDDU-SFHVURJKSA-N 2 1 349.563 3.218 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC([C@@H]2[N@H+](C(C)C)CC23CCC3)CC1 ZINC001105393618 1366442026 /nfs/dbraw/zinc/44/20/26/1366442026.db2.gz CWQSGTQNHPCDDU-SFHVURJKSA-N 2 1 349.563 3.218 20 0 EGADMP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001105556783 1366529263 /nfs/dbraw/zinc/52/92/63/1366529263.db2.gz PIWHNPMISTYIQM-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107443124 1366964885 /nfs/dbraw/zinc/96/48/85/1366964885.db2.gz ZUYVVNGNTZILGT-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107443124 1366964888 /nfs/dbraw/zinc/96/48/88/1366964888.db2.gz ZUYVVNGNTZILGT-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107443124 1366964891 /nfs/dbraw/zinc/96/48/91/1366964891.db2.gz ZUYVVNGNTZILGT-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442356 1366965096 /nfs/dbraw/zinc/96/50/96/1366965096.db2.gz CRLCEWFHZGWNAT-QKNQBKEWSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442356 1366965098 /nfs/dbraw/zinc/96/50/98/1366965098.db2.gz CRLCEWFHZGWNAT-QKNQBKEWSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442356 1366965101 /nfs/dbraw/zinc/96/51/01/1366965101.db2.gz CRLCEWFHZGWNAT-QKNQBKEWSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107455106 1366969726 /nfs/dbraw/zinc/96/97/26/1366969726.db2.gz WTESEZYHGVPVKH-SQGPQFPESA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@H+](C)CC)CCC[C@@H]12 ZINC001107455106 1366969728 /nfs/dbraw/zinc/96/97/28/1366969728.db2.gz WTESEZYHGVPVKH-SQGPQFPESA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@@H+](C)CC)CCC[C@@H]12 ZINC001107455106 1366969730 /nfs/dbraw/zinc/96/97/30/1366969730.db2.gz WTESEZYHGVPVKH-SQGPQFPESA-N 2 1 337.552 3.124 20 0 EGADMP C[N@@H+](CC(=O)NC[C@]1(C)CCC[NH+](CCC2CCCC2)C1)C1CCC1 ZINC001324945620 1387843044 /nfs/dbraw/zinc/84/30/44/1387843044.db2.gz ZVRBGKMPBVFVTB-NRFANRHFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NC[C@]1(C)CCC[N@H+](CCC2CCCC2)C1)C1CCC1 ZINC001324945620 1387843046 /nfs/dbraw/zinc/84/30/46/1387843046.db2.gz ZVRBGKMPBVFVTB-NRFANRHFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NC[C@]1(C)CCC[N@@H+](CCC2CCCC2)C1)C1CCC1 ZINC001324945620 1387843050 /nfs/dbraw/zinc/84/30/50/1387843050.db2.gz ZVRBGKMPBVFVTB-NRFANRHFSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001185992797 1387843388 /nfs/dbraw/zinc/84/33/88/1387843388.db2.gz FNIGEMKGSYEMFR-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107567875 1367048293 /nfs/dbraw/zinc/04/82/93/1367048293.db2.gz OLJWOJSMGBAXKQ-TZIWHRDSSA-N 2 1 347.547 3.045 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107567260 1367049097 /nfs/dbraw/zinc/04/90/97/1367049097.db2.gz PJDVXFJLHCZCSG-QKNQBKEWSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107568013 1367049151 /nfs/dbraw/zinc/04/91/51/1367049151.db2.gz RGZFFRCOBFECGX-FBBABVLZSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC=C(C)C)CC2 ZINC001107615480 1367074433 /nfs/dbraw/zinc/07/44/33/1367074433.db2.gz CSNKUPRYWMBRCT-UYAOXDASSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC=C(C)C)CC2 ZINC001107615480 1367074445 /nfs/dbraw/zinc/07/44/45/1367074445.db2.gz CSNKUPRYWMBRCT-UYAOXDASSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC=C(C)C)CC2 ZINC001107615480 1367074449 /nfs/dbraw/zinc/07/44/49/1367074449.db2.gz CSNKUPRYWMBRCT-UYAOXDASSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](C[C@@H](C)CC)CC2 ZINC001107616236 1367074870 /nfs/dbraw/zinc/07/48/70/1367074870.db2.gz ZDAUELXSEPNPNC-NLWGTHIKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](C)CC)CC2 ZINC001107616236 1367074873 /nfs/dbraw/zinc/07/48/73/1367074873.db2.gz ZDAUELXSEPNPNC-NLWGTHIKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@@H](C)CC)CC2 ZINC001107616236 1367074876 /nfs/dbraw/zinc/07/48/76/1367074876.db2.gz ZDAUELXSEPNPNC-NLWGTHIKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(CC)CC)CC2 ZINC001107617326 1367075917 /nfs/dbraw/zinc/07/59/17/1367075917.db2.gz FQZUFNAQZFEVNF-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(CC)CC)CC2 ZINC001107617326 1367075922 /nfs/dbraw/zinc/07/59/22/1367075922.db2.gz FQZUFNAQZFEVNF-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(CC)CC)CC2 ZINC001107617326 1367075927 /nfs/dbraw/zinc/07/59/27/1367075927.db2.gz FQZUFNAQZFEVNF-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107644835 1367090563 /nfs/dbraw/zinc/09/05/63/1367090563.db2.gz ISBIONQNDMBBNJ-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109371759 1367091035 /nfs/dbraw/zinc/09/10/35/1367091035.db2.gz SYGHRURLDVZEKJ-YDZRNGNQSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001109371759 1367091038 /nfs/dbraw/zinc/09/10/38/1367091038.db2.gz SYGHRURLDVZEKJ-YDZRNGNQSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001109371759 1367091044 /nfs/dbraw/zinc/09/10/44/1367091044.db2.gz SYGHRURLDVZEKJ-YDZRNGNQSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC001189772117 1367106148 /nfs/dbraw/zinc/10/61/48/1367106148.db2.gz WDTOQKLYPFBXTD-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001109428287 1367116309 /nfs/dbraw/zinc/11/63/09/1367116309.db2.gz XWDXQPUNHXGUDK-FYQPLNBISA-N 2 1 347.547 3.185 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC2(CCC2)C1 ZINC001109464404 1367137797 /nfs/dbraw/zinc/13/77/97/1367137797.db2.gz YWMFOOAUDYVCHP-SQNIBIBYSA-N 2 1 347.547 3.019 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC2(CCC2)C1 ZINC001109464404 1367137799 /nfs/dbraw/zinc/13/77/99/1367137799.db2.gz YWMFOOAUDYVCHP-SQNIBIBYSA-N 2 1 347.547 3.019 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC2(CCC2)C1 ZINC001109464404 1367137805 /nfs/dbraw/zinc/13/78/05/1367137805.db2.gz YWMFOOAUDYVCHP-SQNIBIBYSA-N 2 1 347.547 3.019 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1ccccc1 ZINC001109463919 1367137950 /nfs/dbraw/zinc/13/79/50/1367137950.db2.gz CUCHYTNYKGAKSY-YSHGAJCASA-N 2 1 343.515 3.199 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ccccc1 ZINC001109463919 1367137955 /nfs/dbraw/zinc/13/79/55/1367137955.db2.gz CUCHYTNYKGAKSY-YSHGAJCASA-N 2 1 343.515 3.199 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ccccc1 ZINC001109463919 1367137961 /nfs/dbraw/zinc/13/79/61/1367137961.db2.gz CUCHYTNYKGAKSY-YSHGAJCASA-N 2 1 343.515 3.199 20 0 EGADMP CC(C)(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109484964 1367153181 /nfs/dbraw/zinc/15/31/81/1367153181.db2.gz BJBPQIOENGCDLF-SQNIBIBYSA-N 2 1 347.547 3.163 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190174541 1367190749 /nfs/dbraw/zinc/19/07/49/1367190749.db2.gz FKCMWAVUIVGUPG-GOSISDBHSA-N 2 1 337.552 3.364 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724352 1367293444 /nfs/dbraw/zinc/29/34/44/1367293444.db2.gz OFVLAXMIDGVBQW-ISMNZJHXSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109724352 1367293448 /nfs/dbraw/zinc/29/34/48/1367293448.db2.gz OFVLAXMIDGVBQW-ISMNZJHXSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109724352 1367293452 /nfs/dbraw/zinc/29/34/52/1367293452.db2.gz OFVLAXMIDGVBQW-ISMNZJHXSA-N 2 1 335.536 3.042 20 0 EGADMP C[N@@H+](CCC(C)(C)C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190655566 1367319055 /nfs/dbraw/zinc/31/90/55/1367319055.db2.gz QJINVSDNPAXHTL-MOPGFXCFSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](CCC(C)(C)C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190655566 1367319060 /nfs/dbraw/zinc/31/90/60/1367319060.db2.gz QJINVSDNPAXHTL-MOPGFXCFSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](CCC(C)(C)C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190655566 1367319067 /nfs/dbraw/zinc/31/90/67/1367319067.db2.gz QJINVSDNPAXHTL-MOPGFXCFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001109796839 1367327558 /nfs/dbraw/zinc/32/75/58/1367327558.db2.gz ICTRVKKYOVXOPF-ZRNYENFQSA-N 2 1 349.563 3.409 20 0 EGADMP C[N@@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190743587 1367341395 /nfs/dbraw/zinc/34/13/95/1367341395.db2.gz LUWFPPYOFIUOSJ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001190743587 1367341398 /nfs/dbraw/zinc/34/13/98/1367341398.db2.gz LUWFPPYOFIUOSJ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001190743587 1367341399 /nfs/dbraw/zinc/34/13/99/1367341399.db2.gz LUWFPPYOFIUOSJ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C)C(C)C ZINC001109859991 1367363940 /nfs/dbraw/zinc/36/39/40/1367363940.db2.gz FANSBDUDUFFZRX-YDZRNGNQSA-N 2 1 335.536 3.041 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109878067 1367376788 /nfs/dbraw/zinc/37/67/88/1367376788.db2.gz GAEMBWPETJYZOI-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162219 1367436709 /nfs/dbraw/zinc/43/67/09/1367436709.db2.gz NAIWUUQHBGPZGM-QWNKOJSDSA-N 2 1 340.471 3.227 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110018050 1367460418 /nfs/dbraw/zinc/46/04/18/1367460418.db2.gz YUOZMDQPOANZOM-SQNIBIBYSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001110018050 1367460422 /nfs/dbraw/zinc/46/04/22/1367460422.db2.gz YUOZMDQPOANZOM-SQNIBIBYSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001110018050 1367460424 /nfs/dbraw/zinc/46/04/24/1367460424.db2.gz YUOZMDQPOANZOM-SQNIBIBYSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C)[NH+]1CCCC1 ZINC001110161360 1367535152 /nfs/dbraw/zinc/53/51/52/1367535152.db2.gz BZHRMBHGLOHKKW-XWSJACJDSA-N 2 1 349.563 3.265 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001108717154 1367553995 /nfs/dbraw/zinc/55/39/95/1367553995.db2.gz BQGLMMWDCAPXSB-MFEJMLCPSA-N 2 1 349.563 3.432 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCCCC2)C1)[NH+](CC)CC ZINC001192323044 1367750669 /nfs/dbraw/zinc/75/06/69/1367750669.db2.gz AAIXQHKJDSCAAC-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP Cc1ccccc1C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192385865 1367770812 /nfs/dbraw/zinc/77/08/12/1367770812.db2.gz LZCVGQDNCLHQOC-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP Cc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192385865 1367770814 /nfs/dbraw/zinc/77/08/14/1367770814.db2.gz LZCVGQDNCLHQOC-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP Cc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192385865 1367770822 /nfs/dbraw/zinc/77/08/22/1367770822.db2.gz LZCVGQDNCLHQOC-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192394868 1367771949 /nfs/dbraw/zinc/77/19/49/1367771949.db2.gz FYQWUOZMDABVRA-ROUUACIJSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@H](C)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192394868 1367771955 /nfs/dbraw/zinc/77/19/55/1367771955.db2.gz FYQWUOZMDABVRA-ROUUACIJSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@H](C)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192394868 1367771962 /nfs/dbraw/zinc/77/19/62/1367771962.db2.gz FYQWUOZMDABVRA-ROUUACIJSA-N 2 1 339.568 3.179 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192406067 1367774882 /nfs/dbraw/zinc/77/48/82/1367774882.db2.gz AAFQIHOYGQNENN-IEBWSBKVSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192406067 1367774887 /nfs/dbraw/zinc/77/48/87/1367774887.db2.gz AAFQIHOYGQNENN-IEBWSBKVSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192406067 1367774891 /nfs/dbraw/zinc/77/48/91/1367774891.db2.gz AAFQIHOYGQNENN-IEBWSBKVSA-N 2 1 345.531 3.258 20 0 EGADMP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641004 1367839174 /nfs/dbraw/zinc/83/91/74/1367839174.db2.gz HEDOYOLTVSJSNI-SFHVURJKSA-N 2 1 348.535 3.366 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641004 1367839177 /nfs/dbraw/zinc/83/91/77/1367839177.db2.gz HEDOYOLTVSJSNI-SFHVURJKSA-N 2 1 348.535 3.366 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671465 1367846010 /nfs/dbraw/zinc/84/60/10/1367846010.db2.gz KXPNVYBOZBLFCY-LXORQPIJSA-N 2 1 335.536 3.138 20 0 EGADMP CC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192671465 1367846012 /nfs/dbraw/zinc/84/60/12/1367846012.db2.gz KXPNVYBOZBLFCY-LXORQPIJSA-N 2 1 335.536 3.138 20 0 EGADMP CC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192671465 1367846017 /nfs/dbraw/zinc/84/60/17/1367846017.db2.gz KXPNVYBOZBLFCY-LXORQPIJSA-N 2 1 335.536 3.138 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CCCCCF)C2)cc1 ZINC001192846301 1367886202 /nfs/dbraw/zinc/88/62/02/1367886202.db2.gz LKSXXGZRSSHCIR-LJQANCHMSA-N 2 1 349.494 3.034 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001192859758 1367890954 /nfs/dbraw/zinc/89/09/54/1367890954.db2.gz ZMVYUEBQVUSNML-GOSISDBHSA-N 2 1 348.535 3.331 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001192859758 1367890958 /nfs/dbraw/zinc/89/09/58/1367890958.db2.gz ZMVYUEBQVUSNML-GOSISDBHSA-N 2 1 348.535 3.331 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1)C(C)C ZINC001192918189 1367904595 /nfs/dbraw/zinc/90/45/95/1367904595.db2.gz YGFKSCRZVCQILG-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC001193423695 1368025879 /nfs/dbraw/zinc/02/58/79/1368025879.db2.gz DEXKFINYLMPPTE-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@@H+](C)C/C=C/Cl)C1 ZINC001193425285 1368026408 /nfs/dbraw/zinc/02/64/08/1368026408.db2.gz UXKUIHXRLNBFDJ-PYUISTEWSA-N 2 1 343.943 3.174 20 0 EGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cc1 ZINC001193560338 1368062285 /nfs/dbraw/zinc/06/22/85/1368062285.db2.gz QPBSRRAZHYUSAO-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC001193570758 1368064688 /nfs/dbraw/zinc/06/46/88/1368064688.db2.gz MQGSPFATSXLIPZ-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571957 1368065586 /nfs/dbraw/zinc/06/55/86/1368065586.db2.gz YWNGYKDMMPICKT-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC2CCC(C)(C)CC2)C1 ZINC001193643343 1368083262 /nfs/dbraw/zinc/08/32/62/1368083262.db2.gz SQRMLHUMHBSZBY-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CC2CCC(C)(C)CC2)C1 ZINC001193643343 1368083264 /nfs/dbraw/zinc/08/32/64/1368083264.db2.gz SQRMLHUMHBSZBY-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CC2CCC(C)(C)CC2)C1 ZINC001193643343 1368083270 /nfs/dbraw/zinc/08/32/70/1368083270.db2.gz SQRMLHUMHBSZBY-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCCC1 ZINC001110981010 1368132888 /nfs/dbraw/zinc/13/28/88/1368132888.db2.gz FUTZLPVLTQZEAJ-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001111169320 1368179703 /nfs/dbraw/zinc/17/97/03/1368179703.db2.gz NVDHAUTVESVSFJ-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227946 1368212548 /nfs/dbraw/zinc/21/25/48/1368212548.db2.gz OPNSYWUMQSNOEH-HXUWFJFHSA-N 2 1 345.531 3.331 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227620 1368213185 /nfs/dbraw/zinc/21/31/85/1368213185.db2.gz LHUHCUDYUWWYPS-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246699 1368217045 /nfs/dbraw/zinc/21/70/45/1368217045.db2.gz QHPZCHSJDHQMQH-GOSISDBHSA-N 2 1 331.504 3.085 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001194265205 1368219259 /nfs/dbraw/zinc/21/92/59/1368219259.db2.gz BXQWWMNDZHKFMV-JNVNVXKGSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001194265205 1368219263 /nfs/dbraw/zinc/21/92/63/1368219263.db2.gz BXQWWMNDZHKFMV-JNVNVXKGSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001194265205 1368219267 /nfs/dbraw/zinc/21/92/67/1368219267.db2.gz BXQWWMNDZHKFMV-JNVNVXKGSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001194274386 1368221686 /nfs/dbraw/zinc/22/16/86/1368221686.db2.gz HHPCYBIDYMAZHO-QZTJIDSGSA-N 2 1 337.552 3.076 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1)c1ccccc1 ZINC001194274852 1368222924 /nfs/dbraw/zinc/22/29/24/1368222924.db2.gz NDQNOSLBCGXIGX-OALUTQOASA-N 2 1 345.531 3.258 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1)c1ccccc1 ZINC001194274852 1368222927 /nfs/dbraw/zinc/22/29/27/1368222927.db2.gz NDQNOSLBCGXIGX-OALUTQOASA-N 2 1 345.531 3.258 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782640 1368460499 /nfs/dbraw/zinc/46/04/99/1368460499.db2.gz RNGZKWGRTWIKDL-ZVDOUQERSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001111782640 1368460501 /nfs/dbraw/zinc/46/05/01/1368460501.db2.gz RNGZKWGRTWIKDL-ZVDOUQERSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001111782640 1368460505 /nfs/dbraw/zinc/46/05/05/1368460505.db2.gz RNGZKWGRTWIKDL-ZVDOUQERSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCCC(C)(C)C)C3)C1 ZINC001111871086 1368518376 /nfs/dbraw/zinc/51/83/76/1368518376.db2.gz YZOVKUWEYNGONM-WFXMLNOXSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCCC(C)(C)C)C3)C1 ZINC001111871086 1368518378 /nfs/dbraw/zinc/51/83/78/1368518378.db2.gz YZOVKUWEYNGONM-WFXMLNOXSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCC(C)(C)C)C3)C1 ZINC001111871086 1368518381 /nfs/dbraw/zinc/51/83/81/1368518381.db2.gz YZOVKUWEYNGONM-WFXMLNOXSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CCCCC1)C2 ZINC001111926743 1368563822 /nfs/dbraw/zinc/56/38/22/1368563822.db2.gz GSGWAXADDGKBBV-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1CCCCC1)C2 ZINC001111926743 1368563827 /nfs/dbraw/zinc/56/38/27/1368563827.db2.gz GSGWAXADDGKBBV-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1CCCCC1)C2 ZINC001111926743 1368563834 /nfs/dbraw/zinc/56/38/34/1368563834.db2.gz GSGWAXADDGKBBV-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[C@@H](C(=O)N1CCC[N@@H+](CC2CCCC2)CC1)n1ccnc1 ZINC001196242427 1368573924 /nfs/dbraw/zinc/57/39/24/1368573924.db2.gz IDSFXFJLVNQNKU-IBGZPJMESA-N 2 1 346.519 3.195 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001196276219 1368582420 /nfs/dbraw/zinc/58/24/20/1368582420.db2.gz VMFYLSANVIJDHP-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111986935 1368592102 /nfs/dbraw/zinc/59/21/02/1368592102.db2.gz HUBKZGZSWYNYIP-FPOVZHCZSA-N 2 1 347.547 3.189 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCCN([C@H](C)c2ccccc2F)CC1 ZINC001196341115 1368592837 /nfs/dbraw/zinc/59/28/37/1368592837.db2.gz NBZMIPUECYKJEN-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC001196341115 1368592847 /nfs/dbraw/zinc/59/28/47/1368592847.db2.gz NBZMIPUECYKJEN-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+]([C@H](C)c2ccccc2F)CC1 ZINC001196341115 1368592851 /nfs/dbraw/zinc/59/28/51/1368592851.db2.gz NBZMIPUECYKJEN-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+]([C@H](C)c2ccccc2F)CC1 ZINC001196341115 1368592854 /nfs/dbraw/zinc/59/28/54/1368592854.db2.gz NBZMIPUECYKJEN-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@@H+](CC1CCC1)C2 ZINC001112020522 1368623070 /nfs/dbraw/zinc/62/30/70/1368623070.db2.gz LWACXCTUQIZVKT-FPOVZHCZSA-N 2 1 347.547 3.023 20 0 EGADMP CC(C)=CC[NH+]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001196642009 1368654293 /nfs/dbraw/zinc/65/42/93/1368654293.db2.gz XDIKKUOHGDLQOD-UHFFFAOYSA-N 2 1 335.536 3.142 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CCC[N@@H+](CCC(C)(C)C)CC2)CCCC1 ZINC001196656698 1368657259 /nfs/dbraw/zinc/65/72/59/1368657259.db2.gz SVYNTNFOCMSRRY-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP C[C@H]1CCC[C@@H](CC[N@H+]2CCCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001196943816 1368717770 /nfs/dbraw/zinc/71/77/70/1368717770.db2.gz SVQDQQNLUYGOLP-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CC/C=C\CC[NH+]1CCCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001197477941 1368822800 /nfs/dbraw/zinc/82/28/00/1368822800.db2.gz QBQHWHPIYFTLRN-CLFYSBASSA-N 2 1 337.552 3.389 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001197477941 1368822801 /nfs/dbraw/zinc/82/28/01/1368822801.db2.gz QBQHWHPIYFTLRN-CLFYSBASSA-N 2 1 337.552 3.389 20 0 EGADMP CC/C=C\CC[N@@H+]1CCCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001197477941 1368822806 /nfs/dbraw/zinc/82/28/06/1368822806.db2.gz QBQHWHPIYFTLRN-CLFYSBASSA-N 2 1 337.552 3.389 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC[N@@H+](CCC2CCCCCC2)CC1 ZINC001197511998 1368830061 /nfs/dbraw/zinc/83/00/61/1368830061.db2.gz TUJPQWWHMQZIHE-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](CCC2CC2)CC1 ZINC001197794567 1368897796 /nfs/dbraw/zinc/89/77/96/1368897796.db2.gz LUHLNPDJSOITSK-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C(C)C)CC1 ZINC001197922387 1368924135 /nfs/dbraw/zinc/92/41/35/1368924135.db2.gz RDSDNZTYCPNORS-UHFFFAOYSA-N 2 1 345.531 3.186 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccccc2C(C)C)CC1 ZINC001197922387 1368924143 /nfs/dbraw/zinc/92/41/43/1368924143.db2.gz RDSDNZTYCPNORS-UHFFFAOYSA-N 2 1 345.531 3.186 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC001198243694 1368988114 /nfs/dbraw/zinc/98/81/14/1368988114.db2.gz MNVBVLSLIUNMDZ-UHFFFAOYSA-N 2 1 347.547 3.287 20 0 EGADMP CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001198277625 1368995816 /nfs/dbraw/zinc/99/58/16/1368995816.db2.gz FAXMRABWVBAVDE-IBGZPJMESA-N 2 1 330.472 3.058 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[NH+]3CCC[C@H]3C2)cc1 ZINC001325466930 1387983489 /nfs/dbraw/zinc/98/34/89/1387983489.db2.gz DDXGMTBYJMGKCR-FQEVSTJZSA-N 2 1 343.515 3.229 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001325466930 1387983490 /nfs/dbraw/zinc/98/34/90/1387983490.db2.gz DDXGMTBYJMGKCR-FQEVSTJZSA-N 2 1 343.515 3.229 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC001325466930 1387983494 /nfs/dbraw/zinc/98/34/94/1387983494.db2.gz DDXGMTBYJMGKCR-FQEVSTJZSA-N 2 1 343.515 3.229 20 0 EGADMP CCC(CC)[C@H](CN[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC001199170626 1369187776 /nfs/dbraw/zinc/18/77/76/1369187776.db2.gz KQPSKYLOASZSHK-QMMLZNLJSA-N 2 1 331.548 3.463 20 0 EGADMP CCC(CC)[C@H](CN[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC001199170626 1369187781 /nfs/dbraw/zinc/18/77/81/1369187781.db2.gz KQPSKYLOASZSHK-QMMLZNLJSA-N 2 1 331.548 3.463 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001113248364 1369290579 /nfs/dbraw/zinc/29/05/79/1369290579.db2.gz XMPMIGMSMDOEPB-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CC[C@H](C(=O)N1CC[NH+]([C@@H](C)c2ccccc2C)CC1)[NH+](CC)CC ZINC001113338436 1369357753 /nfs/dbraw/zinc/35/77/53/1369357753.db2.gz CZXTWSMNESIQBH-AZUAARDMSA-N 2 1 345.531 3.321 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001113439797 1369429581 /nfs/dbraw/zinc/42/95/81/1369429581.db2.gz VIPKETNMKQPLSG-HSALFYBXSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001200838555 1369437187 /nfs/dbraw/zinc/43/71/87/1369437187.db2.gz UHOBWOCJWWEEHU-STZQEDGTSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001200838555 1369437189 /nfs/dbraw/zinc/43/71/89/1369437189.db2.gz UHOBWOCJWWEEHU-STZQEDGTSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001200838555 1369437190 /nfs/dbraw/zinc/43/71/90/1369437190.db2.gz UHOBWOCJWWEEHU-STZQEDGTSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001200838555 1369437193 /nfs/dbraw/zinc/43/71/93/1369437193.db2.gz UHOBWOCJWWEEHU-STZQEDGTSA-N 2 1 341.543 3.361 20 0 EGADMP CC(C)c1ccccc1C[NH+]1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001113561810 1369494778 /nfs/dbraw/zinc/49/47/78/1369494778.db2.gz QVZULVFZWLXNLH-UHFFFAOYSA-N 2 1 345.531 3.186 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[NH+]([C@@H](C)c2cc(C)ccc2C)CC1 ZINC001113571537 1369496833 /nfs/dbraw/zinc/49/68/33/1369496833.db2.gz TVQDHQHNUGNRJS-IBGZPJMESA-N 2 1 345.531 3.241 20 0 EGADMP CCC(CC)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001201230951 1369500679 /nfs/dbraw/zinc/50/06/79/1369500679.db2.gz YOCGFJQDKZQBQN-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001201400623 1369537209 /nfs/dbraw/zinc/53/72/09/1369537209.db2.gz TYUCRXPWGZXZPM-HCZHMGAMSA-N 2 1 349.563 3.434 20 0 EGADMP CSCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201690045 1369606562 /nfs/dbraw/zinc/60/65/62/1369606562.db2.gz OVPMRSNBUMLRMI-UHOSZYNNSA-N 2 1 333.545 3.367 20 0 EGADMP CSCCC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201690045 1369606565 /nfs/dbraw/zinc/60/65/65/1369606565.db2.gz OVPMRSNBUMLRMI-UHOSZYNNSA-N 2 1 333.545 3.367 20 0 EGADMP CSCCC[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201690045 1369606569 /nfs/dbraw/zinc/60/65/69/1369606569.db2.gz OVPMRSNBUMLRMI-UHOSZYNNSA-N 2 1 333.545 3.367 20 0 EGADMP CSCCC[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201690045 1369606572 /nfs/dbraw/zinc/60/65/72/1369606572.db2.gz OVPMRSNBUMLRMI-UHOSZYNNSA-N 2 1 333.545 3.367 20 0 EGADMP CCCCC[N@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001201731437 1369612040 /nfs/dbraw/zinc/61/20/40/1369612040.db2.gz QUJDHAUTCGCABQ-VAMGGRTRSA-N 2 1 338.536 3.157 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC4CCOCC4)CC[C@H]3C2)cc1 ZINC001202611012 1369823841 /nfs/dbraw/zinc/82/38/41/1369823841.db2.gz IHJFHPVRFVGOCC-LEWJYISDSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CCOCC4)CC[C@H]3C2)cc1 ZINC001202611012 1369823845 /nfs/dbraw/zinc/82/38/45/1369823845.db2.gz IHJFHPVRFVGOCC-LEWJYISDSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC4CCOCC4)CC[C@H]3C2)cc1 ZINC001202611012 1369823847 /nfs/dbraw/zinc/82/38/47/1369823847.db2.gz IHJFHPVRFVGOCC-LEWJYISDSA-N 2 1 328.500 3.257 20 0 EGADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001186929953 1388029962 /nfs/dbraw/zinc/02/99/62/1388029962.db2.gz BVZYHWQJYFILPX-HXUWFJFHSA-N 2 1 343.515 3.227 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1)c1ccccc1 ZINC001187035064 1388043169 /nfs/dbraw/zinc/04/31/69/1388043169.db2.gz SYZMFNKPWNMJPV-MOPGFXCFSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203102633 1369984034 /nfs/dbraw/zinc/98/40/34/1369984034.db2.gz ICUZTQJGWGHZRL-SJORKVTESA-N 2 1 335.536 3.066 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC2)C12CCC2)C1CCCCC1 ZINC001203230330 1370032687 /nfs/dbraw/zinc/03/26/87/1370032687.db2.gz LKCPNNNITIWXIZ-RTBURBONSA-N 2 1 347.547 3.068 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CC2)C12CCC2)C1CCCCC1 ZINC001203230326 1370032812 /nfs/dbraw/zinc/03/28/12/1370032812.db2.gz LKCPNNNITIWXIZ-OALUTQOASA-N 2 1 347.547 3.068 20 0 EGADMP CCCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203230547 1370032979 /nfs/dbraw/zinc/03/29/79/1370032979.db2.gz NUEMSKAAJMBNOG-OALUTQOASA-N 2 1 349.563 3.458 20 0 EGADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccco4)CC3)C2)cc1 ZINC001203277589 1370057575 /nfs/dbraw/zinc/05/75/75/1370057575.db2.gz KQWKVLQPMNORBP-UHFFFAOYSA-N 2 1 340.467 3.455 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203420931 1370118576 /nfs/dbraw/zinc/11/85/76/1370118576.db2.gz XZOLUBJKAUDUKH-PJHKVULZSA-N 2 1 347.547 3.092 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccccc2CC)CC1 ZINC001203431367 1370123312 /nfs/dbraw/zinc/12/33/12/1370123312.db2.gz DDKORVDTEHRDGN-UHFFFAOYSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001203442197 1370128029 /nfs/dbraw/zinc/12/80/29/1370128029.db2.gz GGHWNSHQBITQFW-UHFFFAOYSA-N 2 1 335.536 3.189 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21)[NH+]1CCCCCC1 ZINC001114920828 1370149401 /nfs/dbraw/zinc/14/94/01/1370149401.db2.gz BKOINKFZDNGZGT-INDMIFKZSA-N 2 1 349.563 3.124 20 0 EGADMP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1C(C)C ZINC001114927034 1370155679 /nfs/dbraw/zinc/15/56/79/1370155679.db2.gz GOSBIAVCDZKQQP-DZFIZOCASA-N 2 1 346.519 3.023 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1C(C)C ZINC001114927034 1370155680 /nfs/dbraw/zinc/15/56/80/1370155680.db2.gz GOSBIAVCDZKQQP-DZFIZOCASA-N 2 1 346.519 3.023 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2C(NC(=O)C[N@H+](C)CCCCCC)[C@@H]2C1 ZINC001114984235 1370191165 /nfs/dbraw/zinc/19/11/65/1370191165.db2.gz AVLUCOVTKQEDEL-HOZVOTKXSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001114984235 1370191167 /nfs/dbraw/zinc/19/11/67/1370191167.db2.gz AVLUCOVTKQEDEL-HOZVOTKXSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001114984235 1370191170 /nfs/dbraw/zinc/19/11/70/1370191170.db2.gz AVLUCOVTKQEDEL-HOZVOTKXSA-N 2 1 349.563 3.291 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(Br)cs3)C2)CC1 ZINC001204028092 1370352844 /nfs/dbraw/zinc/35/28/44/1370352844.db2.gz NDTSXCQCPZPGAE-UHFFFAOYSA-N 2 1 329.307 3.428 20 0 EGADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cccc(Cl)c1Cl ZINC001204182785 1370401595 /nfs/dbraw/zinc/40/15/95/1370401595.db2.gz SQEHQPOPHVWDTI-JKSUJKDBSA-N 2 1 342.314 3.204 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2Cc1cccc(Cl)c1Cl ZINC001204182785 1370401598 /nfs/dbraw/zinc/40/15/98/1370401598.db2.gz SQEHQPOPHVWDTI-JKSUJKDBSA-N 2 1 342.314 3.204 20 0 EGADMP Cc1ncccc1C[N@H+](C)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204271111 1370427841 /nfs/dbraw/zinc/42/78/41/1370427841.db2.gz DYLGAAMEMVWDKQ-UHFFFAOYSA-N 2 1 327.472 3.353 20 0 EGADMP Cc1c(F)cccc1CN1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001204508510 1370497630 /nfs/dbraw/zinc/49/76/30/1370497630.db2.gz GRSDVCDNYLMVGH-KDURUIRLSA-N 2 1 325.431 3.093 20 0 EGADMP Cc1c(F)cccc1CN1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001204508510 1370497631 /nfs/dbraw/zinc/49/76/31/1370497631.db2.gz GRSDVCDNYLMVGH-KDURUIRLSA-N 2 1 325.431 3.093 20 0 EGADMP Cc1c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cnn1C ZINC001204577055 1370520525 /nfs/dbraw/zinc/52/05/25/1370520525.db2.gz PHUHAQOGNNDZCF-PMACEKPBSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cnn1C ZINC001204577055 1370520529 /nfs/dbraw/zinc/52/05/29/1370520529.db2.gz PHUHAQOGNNDZCF-PMACEKPBSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cnn1C ZINC001204577055 1370520531 /nfs/dbraw/zinc/52/05/31/1370520531.db2.gz PHUHAQOGNNDZCF-PMACEKPBSA-N 2 1 338.499 3.073 20 0 EGADMP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001115543735 1370540288 /nfs/dbraw/zinc/54/02/88/1370540288.db2.gz YDCPZAXTARAYED-LXORQPIJSA-N 2 1 349.563 3.482 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC3=CCCCC3)CCCCC2)CC[N@H+]1C ZINC001115543644 1370540381 /nfs/dbraw/zinc/54/03/81/1370540381.db2.gz UCMZOOCNFTXPPA-IEBWSBKVSA-N 2 1 347.547 3.236 20 0 EGADMP COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001204679835 1370543936 /nfs/dbraw/zinc/54/39/36/1370543936.db2.gz TYBYDVZIQWFXHL-RBUKOAKNSA-N 2 1 330.472 3.312 20 0 EGADMP COC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001204679835 1370543941 /nfs/dbraw/zinc/54/39/41/1370543941.db2.gz TYBYDVZIQWFXHL-RBUKOAKNSA-N 2 1 330.472 3.312 20 0 EGADMP COC(=O)c1cccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001204679835 1370543949 /nfs/dbraw/zinc/54/39/49/1370543949.db2.gz TYBYDVZIQWFXHL-RBUKOAKNSA-N 2 1 330.472 3.312 20 0 EGADMP COC(=O)c1cccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001204679835 1370543952 /nfs/dbraw/zinc/54/39/52/1370543952.db2.gz TYBYDVZIQWFXHL-RBUKOAKNSA-N 2 1 330.472 3.312 20 0 EGADMP COc1cccc(Sc2ccccc2C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC001204704361 1370549844 /nfs/dbraw/zinc/54/98/44/1370549844.db2.gz BTTKFTCOYRVFHH-IRXDYDNUSA-N 2 1 340.492 3.498 20 0 EGADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727690 1370556248 /nfs/dbraw/zinc/55/62/48/1370556248.db2.gz KHYMCHLDQYNCAO-MRXNPFEDSA-N 2 1 330.472 3.060 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC4(CC[NH2+]CC4)C3)C2)cc1 ZINC001204727852 1370556722 /nfs/dbraw/zinc/55/67/22/1370556722.db2.gz SCCUTUMOYSGQCZ-NRFANRHFSA-N 3 1 341.543 3.364 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)C2)cc1 ZINC001204727852 1370556729 /nfs/dbraw/zinc/55/67/29/1370556729.db2.gz SCCUTUMOYSGQCZ-NRFANRHFSA-N 3 1 341.543 3.364 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC4(CC[NH2+]CC4)C3)C2)cc1 ZINC001204727852 1370556733 /nfs/dbraw/zinc/55/67/33/1370556733.db2.gz SCCUTUMOYSGQCZ-NRFANRHFSA-N 2 1 341.543 3.364 20 0 EGADMP c1ccc(CN2CCC[C@H](C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)C2)cc1 ZINC001204727852 1370556739 /nfs/dbraw/zinc/55/67/39/1370556739.db2.gz SCCUTUMOYSGQCZ-NRFANRHFSA-N 2 1 341.543 3.364 20 0 EGADMP c1ccc(CN2CCC[C@H](C[N@H+]3CCCC4(CC[NH2+]CC4)C3)C2)cc1 ZINC001204727852 1370556743 /nfs/dbraw/zinc/55/67/43/1370556743.db2.gz SCCUTUMOYSGQCZ-NRFANRHFSA-N 2 1 341.543 3.364 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001115608453 1370606903 /nfs/dbraw/zinc/60/69/03/1370606903.db2.gz NTMLAERGDHGRAR-UHFFFAOYSA-N 2 1 349.563 3.458 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3cccc(Cl)c3)o2)CC1 ZINC001205208759 1370681378 /nfs/dbraw/zinc/68/13/78/1370681378.db2.gz FVXYGIGSSYELDH-SFHVURJKSA-N 2 1 334.847 3.276 20 0 EGADMP COc1ccccc1-c1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205221176 1370686055 /nfs/dbraw/zinc/68/60/55/1370686055.db2.gz QMNSBRJPPPIUQT-OAQYLSRUSA-N 2 1 340.467 3.038 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2c(Cl)ccc(Cl)c2Cl)CC1 ZINC001205239698 1370692287 /nfs/dbraw/zinc/69/22/87/1370692287.db2.gz CKLVEQPJRDNFKZ-CQSZACIVSA-N 2 1 337.678 3.323 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2c(Cl)ccc(Cl)c2Cl)CC1 ZINC001205239698 1370692291 /nfs/dbraw/zinc/69/22/91/1370692291.db2.gz CKLVEQPJRDNFKZ-CQSZACIVSA-N 2 1 337.678 3.323 20 0 EGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC001205289975 1370707836 /nfs/dbraw/zinc/70/78/36/1370707836.db2.gz WMMKKWQJCHLRJH-GOSISDBHSA-N 2 1 327.472 3.243 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC001205289975 1370707840 /nfs/dbraw/zinc/70/78/40/1370707840.db2.gz WMMKKWQJCHLRJH-GOSISDBHSA-N 2 1 327.472 3.243 20 0 EGADMP CCC/C=C/CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115729425 1370711499 /nfs/dbraw/zinc/71/14/99/1370711499.db2.gz FMLXBRQMSLZNGO-ZMBJWTFHSA-N 2 1 349.563 3.483 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115729945 1370711753 /nfs/dbraw/zinc/71/17/53/1370711753.db2.gz YTOVHGOZNITVEF-KRWDZBQOSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cc(OCc3ccccc3)ccn2)C[C@@H]1C[NH3+] ZINC001205303308 1370714091 /nfs/dbraw/zinc/71/40/91/1370714091.db2.gz CMAVKIGSMBVNES-AEFFLSMTSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)ccn2)C[C@@H]1C[NH3+] ZINC001205303308 1370714096 /nfs/dbraw/zinc/71/40/96/1370714096.db2.gz CMAVKIGSMBVNES-AEFFLSMTSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C[C@@H]1C[NH3+] ZINC001205306697 1370715651 /nfs/dbraw/zinc/71/56/51/1370715651.db2.gz YXLASFURLBIRMU-AEFFLSMTSA-N 2 1 334.467 3.442 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cccnc2OCc2ccccc2)C[C@H]1C[NH3+] ZINC001205317357 1370720209 /nfs/dbraw/zinc/72/02/09/1370720209.db2.gz ODGVBQJZEXFTFT-VQIMIIECSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cccnc2OCc2ccccc2)C[C@H]1C[NH3+] ZINC001205317357 1370720211 /nfs/dbraw/zinc/72/02/11/1370720211.db2.gz ODGVBQJZEXFTFT-VQIMIIECSA-N 2 1 325.456 3.077 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001205420071 1370749498 /nfs/dbraw/zinc/74/94/98/1370749498.db2.gz CHSVIPZISUVXIS-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001115769142 1370753412 /nfs/dbraw/zinc/75/34/12/1370753412.db2.gz XRWKTIUSJIVIJW-MOPGFXCFSA-N 2 1 347.547 3.212 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001115768921 1370753570 /nfs/dbraw/zinc/75/35/70/1370753570.db2.gz NHLPATATVYXDBN-OALUTQOASA-N 2 1 349.563 3.458 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@@H]1SC ZINC001205554367 1370789248 /nfs/dbraw/zinc/78/92/48/1370789248.db2.gz DBKHQCBUVIBQDE-FJIDUMEYSA-N 2 1 326.550 3.282 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)[C@@H]1SC ZINC001205554367 1370789255 /nfs/dbraw/zinc/78/92/55/1370789255.db2.gz DBKHQCBUVIBQDE-FJIDUMEYSA-N 2 1 326.550 3.282 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc(F)c2Br)CC1 ZINC001205558228 1370791579 /nfs/dbraw/zinc/79/15/79/1370791579.db2.gz CXIGJEHLFQNVNX-AWEZNQCLSA-N 2 1 333.220 3.241 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001205570005 1370794355 /nfs/dbraw/zinc/79/43/55/1370794355.db2.gz CIIMEKJORUOBGS-CQSZACIVSA-N 2 1 338.320 3.377 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1C(F)(F)F ZINC001205570092 1370795660 /nfs/dbraw/zinc/79/56/60/1370795660.db2.gz FQWQWEIQKRPBHJ-HNNXBMFYSA-N 2 1 334.357 3.367 20 0 EGADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(Cl)c1 ZINC001205578427 1370798013 /nfs/dbraw/zinc/79/80/13/1370798013.db2.gz BOLYQZNYRCENJM-QGZVFWFLSA-N 2 1 342.842 3.170 20 0 EGADMP CC(C)C[NH2+]CC1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001205585233 1370800921 /nfs/dbraw/zinc/80/09/21/1370800921.db2.gz BJIKVTMXNPXXJL-UHFFFAOYSA-N 2 1 337.552 3.124 20 0 EGADMP COc1ccc(-c2ccncc2)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205592584 1370803372 /nfs/dbraw/zinc/80/33/72/1370803372.db2.gz WQNXAUFJSOJOLZ-FQEVSTJZSA-N 2 1 343.446 3.410 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001205594299 1370804835 /nfs/dbraw/zinc/80/48/35/1370804835.db2.gz OYZBOORVECHJFT-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)ccn2)CC[C@H]1C[NH3+] ZINC001205637815 1370822272 /nfs/dbraw/zinc/82/22/72/1370822272.db2.gz IZINTUFJFUSUJX-HKUYNNGSSA-N 2 1 339.483 3.467 20 0 EGADMP CCOC(=O)c1ccc2c(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)c[nH]c2c1 ZINC001205652671 1370829344 /nfs/dbraw/zinc/82/93/44/1370829344.db2.gz QNBKIGQQUUMRDN-ZBFHGGJFSA-N 2 1 343.471 3.151 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccnc(OCc3ccccc3)c2)CC[C@@H]1C[NH3+] ZINC001205665661 1370834796 /nfs/dbraw/zinc/83/47/96/1370834796.db2.gz SZFIHANXMZRZCC-YLJYHZDGSA-N 2 1 339.483 3.467 20 0 EGADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205673890 1370838151 /nfs/dbraw/zinc/83/81/51/1370838151.db2.gz VHGYFDMNZKPLAD-NRFANRHFSA-N 2 1 340.467 3.038 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC001205682767 1370841837 /nfs/dbraw/zinc/84/18/37/1370841837.db2.gz UQIDARAHXFXQBC-HXUWFJFHSA-N 2 1 344.430 3.294 20 0 EGADMP Cc1cccnc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001205786562 1370870537 /nfs/dbraw/zinc/87/05/37/1370870537.db2.gz LWJJPYKMUVBTTN-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP COc1cc(Nc2ccc(C3([NH+]4CCOCC4)CC3)cc2)[nH+]cc1C ZINC001205806439 1370877985 /nfs/dbraw/zinc/87/79/85/1370877985.db2.gz WWFCEDAESAPCCA-UHFFFAOYSA-N 2 1 339.439 3.464 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC001116289413 1370879610 /nfs/dbraw/zinc/87/96/10/1370879610.db2.gz VQXKOFKHIBCXAZ-HOTGVXAUSA-N 2 1 331.460 3.026 20 0 EGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001205830198 1370886360 /nfs/dbraw/zinc/88/63/60/1370886360.db2.gz RXSWOAHZHKYIAR-CZUORRHYSA-N 2 1 330.863 3.356 20 0 EGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001205830198 1370886362 /nfs/dbraw/zinc/88/63/62/1370886362.db2.gz RXSWOAHZHKYIAR-CZUORRHYSA-N 2 1 330.863 3.356 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccnc(OCc2ccccc2)c1 ZINC001205924419 1370912806 /nfs/dbraw/zinc/91/28/06/1370912806.db2.gz SPCLHBNCCLSRON-QFBILLFUSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccnc(OCc2ccccc2)c1 ZINC001205924419 1370912808 /nfs/dbraw/zinc/91/28/08/1370912808.db2.gz SPCLHBNCCLSRON-QFBILLFUSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC001205925035 1370913524 /nfs/dbraw/zinc/91/35/24/1370913524.db2.gz VGQRAPSHYZYMQL-LPHOPBHVSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC001205925035 1370913528 /nfs/dbraw/zinc/91/35/28/1370913528.db2.gz VGQRAPSHYZYMQL-LPHOPBHVSA-N 2 1 325.456 3.220 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205991674 1370932220 /nfs/dbraw/zinc/93/22/20/1370932220.db2.gz BIJULQNBNRCISF-UZLBHIALSA-N 2 1 340.515 3.355 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(Br)c1 ZINC001206003245 1370934819 /nfs/dbraw/zinc/93/48/19/1370934819.db2.gz GDPLHYZLZPIESF-CHWSQXEVSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)nc2)CCC[C@@H]1C[NH3+] ZINC001206011364 1370938598 /nfs/dbraw/zinc/93/85/98/1370938598.db2.gz BXIOYJWQOZTMJI-FXAWDEMLSA-N 2 1 339.483 3.467 20 0 EGADMP CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001206157143 1370974463 /nfs/dbraw/zinc/97/44/63/1370974463.db2.gz WKJLPIKXZILXHE-BZSNNMDCSA-N 2 1 326.500 3.415 20 0 EGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001206157143 1370974465 /nfs/dbraw/zinc/97/44/65/1370974465.db2.gz WKJLPIKXZILXHE-BZSNNMDCSA-N 2 1 326.500 3.415 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](Cc2cc3cc(Br)ccc3[nH]2)CC[C@@H]1F ZINC001206174433 1370980283 /nfs/dbraw/zinc/98/02/83/1370980283.db2.gz MXJJLFHQMUJZNR-UONOGXRCSA-N 2 1 340.240 3.192 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cc3cc(Br)ccc3[nH]2)CC[C@@H]1F ZINC001206174433 1370980286 /nfs/dbraw/zinc/98/02/86/1370980286.db2.gz MXJJLFHQMUJZNR-UONOGXRCSA-N 2 1 340.240 3.192 20 0 EGADMP COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001206258065 1371006757 /nfs/dbraw/zinc/00/67/57/1371006757.db2.gz PUTOSMHUBNYVRR-UHFFFAOYSA-N 2 1 338.451 3.245 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)CC[NH2+]1 ZINC001326077766 1388109331 /nfs/dbraw/zinc/10/93/31/1388109331.db2.gz YXRRQMXFHHWASV-KOLCDFICSA-N 2 1 336.329 3.120 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(C(F)(F)F)nc3sccn23)CC1 ZINC001206317498 1371019913 /nfs/dbraw/zinc/01/99/13/1371019913.db2.gz GHAOEVKVYFFXBE-AWEZNQCLSA-N 2 1 346.422 3.366 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001206444507 1371056651 /nfs/dbraw/zinc/05/66/51/1371056651.db2.gz BLGKWZZFQABFQO-UHFFFAOYSA-N 2 1 348.535 3.271 20 0 EGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccn1C1CC1 ZINC001117744791 1371073300 /nfs/dbraw/zinc/07/33/00/1371073300.db2.gz XDJAGFNHUZNJRJ-NRFANRHFSA-N 2 1 339.483 3.070 20 0 EGADMP COc1ccc(F)c(C(F)(F)F)c1C[NH+]1CCC(CC[NH3+])CC1 ZINC001206500700 1371074833 /nfs/dbraw/zinc/07/48/33/1371074833.db2.gz PQKUCOQAVMCKOM-UHFFFAOYSA-N 2 1 334.357 3.414 20 0 EGADMP CCOC(=O)c1ccc2c(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)c[nH]c2c1 ZINC001206583693 1371100142 /nfs/dbraw/zinc/10/01/42/1371100142.db2.gz VFTVSDGUANEZJW-FQEVSTJZSA-N 2 1 343.471 3.296 20 0 EGADMP CC(C)[N@@H+](Cc1cc(-c2ccccc2)nn1C)[C@H]1CCC[NH2+]CC1 ZINC001206589397 1371102087 /nfs/dbraw/zinc/10/20/87/1371102087.db2.gz GRKIAJBARVJEKM-SFHVURJKSA-N 2 1 326.488 3.440 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1C ZINC001206589487 1371102388 /nfs/dbraw/zinc/10/23/88/1371102388.db2.gz HMMQCLXBJBHQSC-MRXNPFEDSA-N 2 1 335.492 3.161 20 0 EGADMP CC(C)[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)[C@H]1CCC[NH2+]CC1 ZINC001206598429 1371104918 /nfs/dbraw/zinc/10/49/18/1371104918.db2.gz JLPBYZGDHHGNMM-IBGZPJMESA-N 3 1 340.515 3.097 20 0 EGADMP CCOc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)ccc1OC(=O)C(C)C ZINC001206631839 1371114863 /nfs/dbraw/zinc/11/48/63/1371114863.db2.gz AUZCDPSIOZLSKU-QGZVFWFLSA-N 2 1 348.487 3.208 20 0 EGADMP COc1cc(OC)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c2ccccc12 ZINC001206646251 1371118053 /nfs/dbraw/zinc/11/80/53/1371118053.db2.gz ACIUKWMXLGHNMN-HNNXBMFYSA-N 2 1 328.456 3.418 20 0 EGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)ccc1OC(F)(F)F ZINC001206810816 1371176593 /nfs/dbraw/zinc/17/65/93/1371176593.db2.gz PSTWDNDPGAHGIK-YPMHNXCESA-N 2 1 332.366 3.153 20 0 EGADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc2c1NC(C)(C)C=C2 ZINC001206812534 1371177431 /nfs/dbraw/zinc/17/74/31/1371177431.db2.gz ZGUGVVAEFWOXAW-HUUCEWRRSA-N 2 1 329.488 3.472 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001206948129 1371241034 /nfs/dbraw/zinc/24/10/34/1371241034.db2.gz WGOXAQIELYSMMN-HDICACEKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001206952465 1371243972 /nfs/dbraw/zinc/24/39/72/1371243972.db2.gz PSZYHGMJSYRKKC-YJJPMGAVSA-N 2 1 349.563 3.435 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001206954923 1371244802 /nfs/dbraw/zinc/24/48/02/1371244802.db2.gz DHTDOXQSPCRHGO-NCPJDUFYSA-N 2 1 335.536 3.042 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001206954923 1371244805 /nfs/dbraw/zinc/24/48/05/1371244805.db2.gz DHTDOXQSPCRHGO-NCPJDUFYSA-N 2 1 335.536 3.042 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001206954923 1371244808 /nfs/dbraw/zinc/24/48/08/1371244808.db2.gz DHTDOXQSPCRHGO-NCPJDUFYSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206974632 1371254744 /nfs/dbraw/zinc/25/47/44/1371254744.db2.gz KSXWNUWFHLOZOA-XXCOWLKOSA-N 2 1 335.536 3.044 20 0 EGADMP c1[nH+]c(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n2ccccc12 ZINC001207053996 1371278704 /nfs/dbraw/zinc/27/87/04/1371278704.db2.gz CITMXZPUZPZCEU-AZUAARDMSA-N 2 1 332.451 3.041 20 0 EGADMP c1[nH+]c(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n2ccccc12 ZINC001207053996 1371278714 /nfs/dbraw/zinc/27/87/14/1371278714.db2.gz CITMXZPUZPZCEU-AZUAARDMSA-N 2 1 332.451 3.041 20 0 EGADMP CN(Cc1[nH+]cc2ccccn21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001207056400 1371280172 /nfs/dbraw/zinc/28/01/72/1371280172.db2.gz QDHHYGBHWISPDG-FQEVSTJZSA-N 2 1 334.467 3.431 20 0 EGADMP CN(Cc1[nH+]cc2ccccn21)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001207056400 1371280177 /nfs/dbraw/zinc/28/01/77/1371280177.db2.gz QDHHYGBHWISPDG-FQEVSTJZSA-N 2 1 334.467 3.431 20 0 EGADMP O=c1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)cc[nH]1 ZINC001207119911 1371299974 /nfs/dbraw/zinc/29/99/74/1371299974.db2.gz IRJWANOUOFIVKS-UHFFFAOYSA-N 2 1 343.496 3.337 20 0 EGADMP C[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001207276543 1371347363 /nfs/dbraw/zinc/34/73/63/1371347363.db2.gz ZBOKWEVVWUJQOC-HOTGVXAUSA-N 2 1 341.540 3.057 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001207283599 1371350368 /nfs/dbraw/zinc/35/03/68/1371350368.db2.gz AUVKKVPGPFVXJV-SFTDATJTSA-N 3 1 343.559 3.418 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001207283599 1371350371 /nfs/dbraw/zinc/35/03/71/1371350371.db2.gz AUVKKVPGPFVXJV-SFTDATJTSA-N 3 1 343.559 3.418 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001207283599 1371350377 /nfs/dbraw/zinc/35/03/77/1371350377.db2.gz AUVKKVPGPFVXJV-SFTDATJTSA-N 3 1 343.559 3.418 20 0 EGADMP CN(C)CC(C)(C)C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001207283599 1371350380 /nfs/dbraw/zinc/35/03/80/1371350380.db2.gz AUVKKVPGPFVXJV-SFTDATJTSA-N 2 1 343.559 3.418 20 0 EGADMP CN(C)CC(C)(C)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001207283599 1371350384 /nfs/dbraw/zinc/35/03/84/1371350384.db2.gz AUVKKVPGPFVXJV-SFTDATJTSA-N 2 1 343.559 3.418 20 0 EGADMP CN(C)CC(C)(C)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001207283599 1371350389 /nfs/dbraw/zinc/35/03/89/1371350389.db2.gz AUVKKVPGPFVXJV-SFTDATJTSA-N 2 1 343.559 3.418 20 0 EGADMP CN(C)CC(C)(C)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001207283599 1371350393 /nfs/dbraw/zinc/35/03/93/1371350393.db2.gz AUVKKVPGPFVXJV-SFTDATJTSA-N 2 1 343.559 3.418 20 0 EGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CCCc1ccc(Br)cc1)C2 ZINC001207322962 1371361226 /nfs/dbraw/zinc/36/12/26/1371361226.db2.gz JTEKTMQREVHHNR-NVXWUHKLSA-N 2 1 337.305 3.265 20 0 EGADMP C[NH+]1CCC(C[N@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)CC1 ZINC001207396486 1371384484 /nfs/dbraw/zinc/38/44/84/1371384484.db2.gz JKGJGRKXYNQMAP-RTWAWAEBSA-N 2 1 343.515 3.042 20 0 EGADMP c1ccc2c(c1)[C@@H]1C[N@H+](CC3CC[NH2+]CC3)C[C@@H]1[C@@H]2OCC1CC1 ZINC001207437350 1371395029 /nfs/dbraw/zinc/39/50/29/1371395029.db2.gz UZVSUGGTNUDYGL-PCCBWWKXSA-N 2 1 326.484 3.183 20 0 EGADMP Fc1ccc(C[C@H]2CC[N@H+](CC3CC[NH2+]CC3)CC2(F)F)cc1 ZINC001207442242 1371396449 /nfs/dbraw/zinc/39/64/49/1371396449.db2.gz VGFIDDFFKJZFOW-MRXNPFEDSA-N 2 1 326.406 3.325 20 0 EGADMP Fc1ccc(C[C@H]2CC[N@@H+](CC3CC[NH2+]CC3)CC2(F)F)cc1 ZINC001207442242 1371396455 /nfs/dbraw/zinc/39/64/55/1371396455.db2.gz VGFIDDFFKJZFOW-MRXNPFEDSA-N 2 1 326.406 3.325 20 0 EGADMP CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207487615 1371411116 /nfs/dbraw/zinc/41/11/16/1371411116.db2.gz OBKKFKJRXAUCGS-NRFANRHFSA-N 2 1 329.532 3.315 20 0 EGADMP CC(C)c1ccc(CC[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001207520997 1371424555 /nfs/dbraw/zinc/42/45/55/1371424555.db2.gz KPKWSOZIHFLVCS-RTWAWAEBSA-N 2 1 329.532 3.063 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCc1cccc(C)c1)C2 ZINC001207538413 1371429602 /nfs/dbraw/zinc/42/96/02/1371429602.db2.gz ZCSUNJJCKKXBFC-VXKWHMMOSA-N 2 1 342.527 3.218 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCc1cccc(C)c1)C2 ZINC001207538413 1371429606 /nfs/dbraw/zinc/42/96/06/1371429606.db2.gz ZCSUNJJCKKXBFC-VXKWHMMOSA-N 2 1 342.527 3.218 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545281 1371431476 /nfs/dbraw/zinc/43/14/76/1371431476.db2.gz NHHSTNLPIPJXOP-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP Cn1cc(-c2ccc(C[N@@H+]3C[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]4C3)s2)cn1 ZINC001119989950 1371444251 /nfs/dbraw/zinc/44/42/51/1371444251.db2.gz UCVZAXSVTPROAN-HLLBOEOZSA-N 2 1 344.528 3.311 20 0 EGADMP C[C@H](CCCC(C)(C)O)CC[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001207649164 1371463769 /nfs/dbraw/zinc/46/37/69/1371463769.db2.gz PZUKLASVUHZCDK-MRXNPFEDSA-N 2 1 339.524 3.084 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCC3=CCCCC3)CCCCC2)C1 ZINC001120129454 1371491697 /nfs/dbraw/zinc/49/16/97/1371491697.db2.gz ICMIWZAPPKDWBC-LJQANCHMSA-N 2 1 347.547 3.237 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120422004 1371569538 /nfs/dbraw/zinc/56/95/38/1371569538.db2.gz HSWRJEUTCFMWTJ-BGEOSOQGSA-N 2 1 349.563 3.388 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC2CCCC2)C1 ZINC001120439992 1371578182 /nfs/dbraw/zinc/57/81/82/1371578182.db2.gz KOVWQJFXVLXCMU-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CCC(C)C)C1 ZINC001120440834 1371578388 /nfs/dbraw/zinc/57/83/88/1371578388.db2.gz UDCYATMOQXWSMB-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001208095047 1371595224 /nfs/dbraw/zinc/59/52/24/1371595224.db2.gz VEBLXRPZLOGRDQ-GOSISDBHSA-N 2 1 336.520 3.306 20 0 EGADMP CC[N@@H+](CC1(C)CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208110323 1371597565 /nfs/dbraw/zinc/59/75/65/1371597565.db2.gz YKDDQIRAVWBPCD-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP CC1CC(C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001208128934 1371604012 /nfs/dbraw/zinc/60/40/12/1371604012.db2.gz LYPRKNTXIPAFJY-CBJHCWRLSA-N 2 1 349.563 3.124 20 0 EGADMP CC1CC(C[NH+]2C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001208128934 1371604014 /nfs/dbraw/zinc/60/40/14/1371604014.db2.gz LYPRKNTXIPAFJY-CBJHCWRLSA-N 2 1 349.563 3.124 20 0 EGADMP CC1CC(C[NH+]2C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001208128934 1371604020 /nfs/dbraw/zinc/60/40/20/1371604020.db2.gz LYPRKNTXIPAFJY-CBJHCWRLSA-N 2 1 349.563 3.124 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281292 1371697723 /nfs/dbraw/zinc/69/77/23/1371697723.db2.gz BAFDJYYLCXXDAT-HNGSOEQISA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208330954 1371720312 /nfs/dbraw/zinc/72/03/12/1371720312.db2.gz IDZKILKMQOKXPJ-QQGAAHRYSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208447476 1371769958 /nfs/dbraw/zinc/76/99/58/1371769958.db2.gz HAFLQRRXJVSVGO-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208474666 1371781058 /nfs/dbraw/zinc/78/10/58/1371781058.db2.gz OAKCPYDHERRFFV-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+](C)CC1CCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208588678 1371829559 /nfs/dbraw/zinc/82/95/59/1371829559.db2.gz KIPYWYFNKQWSNJ-NRFANRHFSA-N 2 1 329.532 3.315 20 0 EGADMP C[NH+](C)CC1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208588678 1371829562 /nfs/dbraw/zinc/82/95/62/1371829562.db2.gz KIPYWYFNKQWSNJ-NRFANRHFSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001208592478 1371831014 /nfs/dbraw/zinc/83/10/14/1371831014.db2.gz JAXIELNCVFMDLR-QGZVFWFLSA-N 2 1 339.524 3.098 20 0 EGADMP C[N@@H+](C1CC1)[C@@H]1CCN(C[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001208590816 1371831601 /nfs/dbraw/zinc/83/16/01/1371831601.db2.gz GKNCLOQYTHOJGD-NHCUHLMSSA-N 2 1 327.516 3.210 20 0 EGADMP C[NH+](C1CC1)[C@@H]1CCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001208590816 1371831603 /nfs/dbraw/zinc/83/16/03/1371831603.db2.gz GKNCLOQYTHOJGD-NHCUHLMSSA-N 2 1 327.516 3.210 20 0 EGADMP C[NH+](C1CC1)[C@@H]1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208590816 1371831608 /nfs/dbraw/zinc/83/16/08/1371831608.db2.gz GKNCLOQYTHOJGD-NHCUHLMSSA-N 2 1 327.516 3.210 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H]3CCCCN3Cc3ccccc3)C2)CC1 ZINC001208592945 1371832764 /nfs/dbraw/zinc/83/27/64/1371832764.db2.gz ZNEKZXFFJOJGAC-NRFANRHFSA-N 2 1 341.543 3.459 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)CC1 ZINC001208600069 1371836287 /nfs/dbraw/zinc/83/62/87/1371836287.db2.gz OYGBDWWKPAHHCQ-CTNGQTDRSA-N 2 1 343.515 3.294 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2cccc(C(=O)OC)c2)CC1 ZINC001208602358 1371836563 /nfs/dbraw/zinc/83/65/63/1371836563.db2.gz CXILMYMHPNDXOS-LJQANCHMSA-N 2 1 330.472 3.342 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208602343 1371836717 /nfs/dbraw/zinc/83/67/17/1371836717.db2.gz CJUWNWYEHCQHDV-FGZHOGPDSA-N 3 1 341.543 3.172 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208602343 1371836726 /nfs/dbraw/zinc/83/67/26/1371836726.db2.gz CJUWNWYEHCQHDV-FGZHOGPDSA-N 3 1 341.543 3.172 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208602343 1371836730 /nfs/dbraw/zinc/83/67/30/1371836730.db2.gz CJUWNWYEHCQHDV-FGZHOGPDSA-N 2 1 341.543 3.172 20 0 EGADMP CC[NH+]1CCC(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208602343 1371836734 /nfs/dbraw/zinc/83/67/34/1371836734.db2.gz CJUWNWYEHCQHDV-FGZHOGPDSA-N 2 1 341.543 3.172 20 0 EGADMP CC[NH+]1CCC(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208602343 1371836740 /nfs/dbraw/zinc/83/67/40/1371836740.db2.gz CJUWNWYEHCQHDV-FGZHOGPDSA-N 2 1 341.543 3.172 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001208605896 1371838603 /nfs/dbraw/zinc/83/86/03/1371838603.db2.gz WTWFZAOHPGGNHS-YLJYHZDGSA-N 2 1 345.531 3.031 20 0 EGADMP COc1ccccc1OCC1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208612114 1371840688 /nfs/dbraw/zinc/84/06/88/1371840688.db2.gz BCZUJZIXPDQWLJ-GOSISDBHSA-N 2 1 332.488 3.128 20 0 EGADMP C[N@@H+](Cc1ccccc1F)C1CCN(C[C@@H]2CCC[NH+](C)C2)CC1 ZINC001208615785 1371840781 /nfs/dbraw/zinc/84/07/81/1371840781.db2.gz HVBJIWOWNDLEAV-QGZVFWFLSA-N 2 1 333.495 3.064 20 0 EGADMP C[NH+](Cc1ccccc1F)C1CCN(C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208615785 1371840784 /nfs/dbraw/zinc/84/07/84/1371840784.db2.gz HVBJIWOWNDLEAV-QGZVFWFLSA-N 2 1 333.495 3.064 20 0 EGADMP C[NH+](Cc1ccccc1F)C1CCN(C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208615785 1371840788 /nfs/dbraw/zinc/84/07/88/1371840788.db2.gz HVBJIWOWNDLEAV-QGZVFWFLSA-N 2 1 333.495 3.064 20 0 EGADMP CN(Cc1ccccc1F)C1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208615785 1371840791 /nfs/dbraw/zinc/84/07/91/1371840791.db2.gz HVBJIWOWNDLEAV-QGZVFWFLSA-N 2 1 333.495 3.064 20 0 EGADMP CN(Cc1ccccc1F)C1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208615785 1371840796 /nfs/dbraw/zinc/84/07/96/1371840796.db2.gz HVBJIWOWNDLEAV-QGZVFWFLSA-N 2 1 333.495 3.064 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001121193687 1371885673 /nfs/dbraw/zinc/88/56/73/1371885673.db2.gz HDWYPPBVXWHPIW-QAELIBMJSA-N 2 1 335.536 3.068 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001121244975 1371906398 /nfs/dbraw/zinc/90/63/98/1371906398.db2.gz AAFYPJKZQLKBIA-AATRIKPKSA-N 2 1 347.547 3.234 20 0 EGADMP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001121260863 1371912452 /nfs/dbraw/zinc/91/24/52/1371912452.db2.gz KNHHRXQQUYTAMD-LJMMTIKXSA-N 2 1 347.547 3.234 20 0 EGADMP CC(C)C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208934757 1371951674 /nfs/dbraw/zinc/95/16/74/1371951674.db2.gz IRNPJXGUTIKZND-OAQYLSRUSA-N 2 1 329.532 3.172 20 0 EGADMP CCN(CC[NH+]1CCCC1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208937235 1371953743 /nfs/dbraw/zinc/95/37/43/1371953743.db2.gz RZMHNQMWPLFOIF-NRFANRHFSA-N 2 1 329.532 3.316 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](CN3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC001208940777 1371955875 /nfs/dbraw/zinc/95/58/75/1371955875.db2.gz GOOAHXBBXFSJPZ-QHCPKHFHSA-N 2 1 349.522 3.326 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CCC([NH+]4CCC4)CC3)C2)cc1 ZINC001208945813 1371959593 /nfs/dbraw/zinc/95/95/93/1371959593.db2.gz DSOQRGVYZWLARO-FQEVSTJZSA-N 2 1 327.516 3.069 20 0 EGADMP FC1(F)CO[C@]2(CC[N@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208952762 1371960409 /nfs/dbraw/zinc/96/04/09/1371960409.db2.gz KZYOHBBJNABAGM-ZWKOTPCHSA-N 2 1 336.426 3.009 20 0 EGADMP FC1(F)CO[C@]2(CC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208952762 1371960411 /nfs/dbraw/zinc/96/04/11/1371960411.db2.gz KZYOHBBJNABAGM-ZWKOTPCHSA-N 2 1 336.426 3.009 20 0 EGADMP FC1(F)CO[C@]2(CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208952762 1371960414 /nfs/dbraw/zinc/96/04/14/1371960414.db2.gz KZYOHBBJNABAGM-ZWKOTPCHSA-N 2 1 336.426 3.009 20 0 EGADMP FC1(F)CO[C@]2(CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208952762 1371960423 /nfs/dbraw/zinc/96/04/23/1371960423.db2.gz KZYOHBBJNABAGM-ZWKOTPCHSA-N 2 1 336.426 3.009 20 0 EGADMP CC(C)[N@H+]1CCN(C[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC001208949003 1371960885 /nfs/dbraw/zinc/96/08/85/1371960885.db2.gz VEZMJUONIPBGKQ-FPOVZHCZSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC001208949003 1371960888 /nfs/dbraw/zinc/96/08/88/1371960888.db2.gz VEZMJUONIPBGKQ-FPOVZHCZSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC001208949003 1371960891 /nfs/dbraw/zinc/96/08/91/1371960891.db2.gz VEZMJUONIPBGKQ-FPOVZHCZSA-N 2 1 329.532 3.313 20 0 EGADMP CCN(CC[NH+]1CCCCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208951280 1371961248 /nfs/dbraw/zinc/96/12/48/1371961248.db2.gz BGSWCTKLRNVCBW-OAQYLSRUSA-N 2 1 329.532 3.316 20 0 EGADMP CCOC(=O)[C@@]1(C)CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208954661 1371962334 /nfs/dbraw/zinc/96/23/34/1371962334.db2.gz WYWWUKBQWNBNOF-FPOVZHCZSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)[C@@]1(C)CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208954661 1371962337 /nfs/dbraw/zinc/96/23/37/1371962337.db2.gz WYWWUKBQWNBNOF-FPOVZHCZSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)[C@@]1(C)CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208954661 1371962340 /nfs/dbraw/zinc/96/23/40/1371962340.db2.gz WYWWUKBQWNBNOF-FPOVZHCZSA-N 2 1 344.499 3.174 20 0 EGADMP C[N@H+]1CCN(C[C@@H]2CC[NH+](Cc3ccccc3)C2)C2(CCCC2)C1 ZINC001208963634 1371964078 /nfs/dbraw/zinc/96/40/78/1371964078.db2.gz PIQLPOSJJIPBIN-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C2(CCCC2)C1 ZINC001208963634 1371964082 /nfs/dbraw/zinc/96/40/82/1371964082.db2.gz PIQLPOSJJIPBIN-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2(CCCC2)C1 ZINC001208963634 1371964088 /nfs/dbraw/zinc/96/40/88/1371964088.db2.gz PIQLPOSJJIPBIN-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC(COc2ccc(NC3=CC[N@@H+](C)CC3)cc2F)CC1 ZINC001208978241 1371966921 /nfs/dbraw/zinc/96/69/21/1371966921.db2.gz AQWADEZRXDKMAM-UHFFFAOYSA-N 2 1 333.451 3.178 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCC(C)C)C3)C1 ZINC001121616979 1372026708 /nfs/dbraw/zinc/02/67/08/1372026708.db2.gz QZEWGLCWQRLKNH-GGQJKKPXSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001121773355 1372077297 /nfs/dbraw/zinc/07/72/97/1372077297.db2.gz PYONBLQULTWVPI-UMMPQCNMSA-N 2 1 349.563 3.027 20 0 EGADMP CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001121859331 1372105256 /nfs/dbraw/zinc/10/52/56/1372105256.db2.gz DBRPDJHFMGMZPG-WZXTXQKWSA-N 2 1 335.536 3.066 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1CCCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209448435 1372108538 /nfs/dbraw/zinc/10/85/38/1372108538.db2.gz RTWOIOLRGCLXDN-QGZVFWFLSA-N 2 1 339.524 3.242 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1CCCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209448435 1372108542 /nfs/dbraw/zinc/10/85/42/1372108542.db2.gz RTWOIOLRGCLXDN-QGZVFWFLSA-N 2 1 339.524 3.242 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001121895612 1372117020 /nfs/dbraw/zinc/11/70/20/1372117020.db2.gz GDYDTUQSJQSUMW-GRFHQPFKSA-N 2 1 347.547 3.211 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001121897353 1372117772 /nfs/dbraw/zinc/11/77/72/1372117772.db2.gz ZKSBHKTYIGZHRF-YADNIXQGSA-N 2 1 346.519 3.042 20 0 EGADMP Cc1ccc2[nH]cc(C[N@@H+]3C[C@H]4CN(Cc5ccccn5)C[C@H]4C3)c2c1 ZINC001209494770 1372121005 /nfs/dbraw/zinc/12/10/05/1372121005.db2.gz KAEDWEZCBDASER-KDURUIRLSA-N 2 1 346.478 3.435 20 0 EGADMP c1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001209554115 1372136348 /nfs/dbraw/zinc/13/63/48/1372136348.db2.gz WOFNUIKECSHMGX-QZTJIDSGSA-N 2 1 327.497 3.487 20 0 EGADMP c1ncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001209554115 1372136351 /nfs/dbraw/zinc/13/63/51/1372136351.db2.gz WOFNUIKECSHMGX-QZTJIDSGSA-N 2 1 327.497 3.487 20 0 EGADMP c1ncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001209554115 1372136354 /nfs/dbraw/zinc/13/63/54/1372136354.db2.gz WOFNUIKECSHMGX-QZTJIDSGSA-N 2 1 327.497 3.487 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(C)C)C[C@H]1C ZINC001209642325 1372159925 /nfs/dbraw/zinc/15/99/25/1372159925.db2.gz GEEXYFVYOTWVJR-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209883731 1372222024 /nfs/dbraw/zinc/22/20/24/1372222024.db2.gz OKYOVKFDPAXLEU-IPLHWJFFSA-N 2 1 346.519 3.334 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210416424 1372347080 /nfs/dbraw/zinc/34/70/80/1372347080.db2.gz OUPHYRHSDDNJRS-JTDSTZFVSA-N 2 1 349.494 3.055 20 0 EGADMP CC[C@H]([NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1)c1ccccc1 ZINC001210492899 1372365705 /nfs/dbraw/zinc/36/57/05/1372365705.db2.gz FPUNUAXHTBUIQH-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)c2cc(C)ccc2C)C[C@H]1C ZINC001210528854 1372372275 /nfs/dbraw/zinc/37/22/75/1372372275.db2.gz JXRKNEGHFVFJOM-QWFCFKBJSA-N 2 1 345.531 3.143 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cc(C)ccc2C)C[C@H]1C ZINC001210528854 1372372278 /nfs/dbraw/zinc/37/22/78/1372372278.db2.gz JXRKNEGHFVFJOM-QWFCFKBJSA-N 2 1 345.531 3.143 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cc(C)ccc2C)C[C@H]1C ZINC001210528854 1372372281 /nfs/dbraw/zinc/37/22/81/1372372281.db2.gz JXRKNEGHFVFJOM-QWFCFKBJSA-N 2 1 345.531 3.143 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC=C(C)C)C1)c1ccccc1 ZINC001210644355 1372398970 /nfs/dbraw/zinc/39/89/70/1372398970.db2.gz OJDQMUNVUQOKAL-PMACEKPBSA-N 2 1 343.515 3.226 20 0 EGADMP COC(=O)c1cccc2[nH+]cc(NC3=CC[C@H]([NH+]4CCCC4)CC3)n21 ZINC001210707383 1372410774 /nfs/dbraw/zinc/41/07/74/1372410774.db2.gz XFBWCCDMXBWYOH-HNNXBMFYSA-N 2 1 340.427 3.065 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001210772817 1372424256 /nfs/dbraw/zinc/42/42/56/1372424256.db2.gz AUGNQKXEMXGPRH-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001210796798 1372428198 /nfs/dbraw/zinc/42/81/98/1372428198.db2.gz KJCNAJZEXGXVJM-QUCCMNQESA-N 2 1 345.531 3.369 20 0 EGADMP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211268013 1372516558 /nfs/dbraw/zinc/51/65/58/1372516558.db2.gz GAUWHAZXGBFBRN-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP Cc1cc(C)c(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)c(C)c1 ZINC001211268281 1372516607 /nfs/dbraw/zinc/51/66/07/1372516607.db2.gz HRYFWPFQBOYFBN-IBGZPJMESA-N 2 1 345.531 3.033 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211269500 1372517364 /nfs/dbraw/zinc/51/73/64/1372517364.db2.gz RQZIMYHBYBUCTF-SBUVDCAVSA-N 2 1 343.515 3.226 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001211284523 1372520774 /nfs/dbraw/zinc/52/07/74/1372520774.db2.gz MDKKWYLOIALULV-HXKWKUIBSA-N 2 1 343.515 3.011 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211366849 1372541566 /nfs/dbraw/zinc/54/15/66/1372541566.db2.gz LZQQMSXHZLHYKF-AHSYYPKJSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211375881 1372544311 /nfs/dbraw/zinc/54/43/11/1372544311.db2.gz CKDOYOPDRLKCAD-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001214999879 1373153826 /nfs/dbraw/zinc/15/38/26/1373153826.db2.gz QVMJLGIXFAMADC-ZIFCJYIRSA-N 2 1 345.531 3.223 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+]CCCC1CCCC1 ZINC001127685251 1373162183 /nfs/dbraw/zinc/16/21/83/1373162183.db2.gz KMKHLWQTUPAGLU-INIZCTEOSA-N 2 1 334.508 3.073 20 0 EGADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001215387694 1373204483 /nfs/dbraw/zinc/20/44/83/1373204483.db2.gz SKMDNOILXXRVPD-MISYRCLQSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001188158878 1388253591 /nfs/dbraw/zinc/25/35/91/1388253591.db2.gz YDUOVCVIERVDAD-YLJYHZDGSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001128779731 1373310531 /nfs/dbraw/zinc/31/05/31/1373310531.db2.gz XAJSIDWKNGBREM-FXAWDEMLSA-N 2 1 345.531 3.451 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC001129328717 1373372352 /nfs/dbraw/zinc/37/23/52/1373372352.db2.gz RVIKTBRHGQTFKJ-MOPGFXCFSA-N 2 1 345.531 3.048 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001129421771 1373382307 /nfs/dbraw/zinc/38/23/07/1373382307.db2.gz BSPCHWHXWDKPCC-RTBURBONSA-N 2 1 345.531 3.333 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129423589 1373382354 /nfs/dbraw/zinc/38/23/54/1373382354.db2.gz WBTWBXZJLAXBDF-IBGZPJMESA-N 2 1 345.531 3.279 20 0 EGADMP CC(C)CC[C@@H]([NH3+])c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217707087 1373491822 /nfs/dbraw/zinc/49/18/22/1373491822.db2.gz OSBCSQCRSRCBFQ-IAGOWNOFSA-N 2 1 328.460 3.495 20 0 EGADMP CC(C)CC[C@@H]([NH3+])c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217707087 1373491825 /nfs/dbraw/zinc/49/18/25/1373491825.db2.gz OSBCSQCRSRCBFQ-IAGOWNOFSA-N 2 1 328.460 3.495 20 0 EGADMP CC(C)(C)C[C@H]([NH3+])c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217713060 1373493072 /nfs/dbraw/zinc/49/30/72/1373493072.db2.gz JZMBHKJANRAQJV-HOTGVXAUSA-N 2 1 328.460 3.495 20 0 EGADMP CC(C)(C)C[C@H]([NH3+])c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217713060 1373493076 /nfs/dbraw/zinc/49/30/76/1373493076.db2.gz JZMBHKJANRAQJV-HOTGVXAUSA-N 2 1 328.460 3.495 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@](C)(CO[C@H]2CCC[NH2+]CC2)O1 ZINC001217778433 1373499725 /nfs/dbraw/zinc/49/97/25/1373499725.db2.gz OOOGHNSERRNSIG-PZJWPPBQSA-N 2 1 346.515 3.215 20 0 EGADMP [NH3+]Cc1ccc(CO[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc1 ZINC001217907881 1373511573 /nfs/dbraw/zinc/51/15/73/1373511573.db2.gz DZQATPGIJTVWJS-LJQANCHMSA-N 2 1 328.431 3.466 20 0 EGADMP c1ccc(C[N@@H+]2CCc3ccc(O[C@H]4CCCC[NH2+]C4)nc3C2)cc1 ZINC001217969717 1373521822 /nfs/dbraw/zinc/52/18/22/1373521822.db2.gz AYFGAIHGLITMME-IBGZPJMESA-N 2 1 337.467 3.161 20 0 EGADMP c1ccc(C[N@H+]2CCc3ccc(O[C@H]4CCCC[NH2+]C4)nc3C2)cc1 ZINC001217969717 1373521826 /nfs/dbraw/zinc/52/18/26/1373521826.db2.gz AYFGAIHGLITMME-IBGZPJMESA-N 2 1 337.467 3.161 20 0 EGADMP c1ccc(C[N@@H+]2CCc3nc(O[C@@H]4CCCC[NH2+]C4)ccc3C2)cc1 ZINC001217971712 1373522544 /nfs/dbraw/zinc/52/25/44/1373522544.db2.gz OMOQIXZKFDAAGI-LJQANCHMSA-N 2 1 337.467 3.161 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(O[C@@H]4CCCC[NH2+]C4)ccc3C2)cc1 ZINC001217971712 1373522547 /nfs/dbraw/zinc/52/25/47/1373522547.db2.gz OMOQIXZKFDAAGI-LJQANCHMSA-N 2 1 337.467 3.161 20 0 EGADMP C[C@H]1C[C@H](Oc2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC[NH2+]1 ZINC001218051301 1373547965 /nfs/dbraw/zinc/54/79/65/1373547965.db2.gz XPJKCMXIJKCRBU-QFBILLFUSA-N 2 1 337.467 3.159 20 0 EGADMP C[C@H]1C[C@H](Oc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC[NH2+]1 ZINC001218051301 1373547971 /nfs/dbraw/zinc/54/79/71/1373547971.db2.gz XPJKCMXIJKCRBU-QFBILLFUSA-N 2 1 337.467 3.159 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)c1 ZINC001130614829 1373570718 /nfs/dbraw/zinc/57/07/18/1373570718.db2.gz FSNCAWPNUQMSRP-UHFFFAOYSA-N 2 1 345.531 3.162 20 0 EGADMP c1ccc(C[N@@H+]2CCc3nc(O[C@H]4C[C@H]5[NH2+]CC[C@H]5C4)ccc3C2)cc1 ZINC001218245389 1373582799 /nfs/dbraw/zinc/58/27/99/1373582799.db2.gz FMBRQZPCHKYWCQ-FBBABVLZSA-N 2 1 349.478 3.159 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(O[C@H]4C[C@H]5[NH2+]CC[C@H]5C4)ccc3C2)cc1 ZINC001218245389 1373582803 /nfs/dbraw/zinc/58/28/03/1373582803.db2.gz FMBRQZPCHKYWCQ-FBBABVLZSA-N 2 1 349.478 3.159 20 0 EGADMP C[C@H]1CC[C@H](Oc2ccc(Br)c(C[NH+](C)C)c2)C[NH2+]1 ZINC001218401354 1373607863 /nfs/dbraw/zinc/60/78/63/1373607863.db2.gz GUWRRGYBUHESNI-FZMZJTMJSA-N 2 1 327.266 3.030 20 0 EGADMP C[NH+]1CCC(c2ccc(NC(=O)[C@@H]([NH3+])c3ccsc3)cc2)CC1 ZINC001218822202 1373657945 /nfs/dbraw/zinc/65/79/45/1373657945.db2.gz AEMHHVNFYSTJFD-KRWDZBQOSA-N 2 1 329.469 3.196 20 0 EGADMP O=C(C=C1CC[NH2+]CC1)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001218846972 1373660408 /nfs/dbraw/zinc/66/04/08/1373660408.db2.gz GARVCBMTXJRKEZ-UHFFFAOYSA-N 2 1 347.462 3.451 20 0 EGADMP O=C(C=C1CC[NH2+]CC1)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001218846972 1373660411 /nfs/dbraw/zinc/66/04/11/1373660411.db2.gz GARVCBMTXJRKEZ-UHFFFAOYSA-N 2 1 347.462 3.451 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848188 1373797946 /nfs/dbraw/zinc/79/79/46/1373797946.db2.gz DBTRSLZIMCIAEJ-SHOKJUJBSA-N 2 1 347.547 3.138 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221848188 1373797950 /nfs/dbraw/zinc/79/79/50/1373797950.db2.gz DBTRSLZIMCIAEJ-SHOKJUJBSA-N 2 1 347.547 3.138 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221848188 1373797955 /nfs/dbraw/zinc/79/79/55/1373797955.db2.gz DBTRSLZIMCIAEJ-SHOKJUJBSA-N 2 1 347.547 3.138 20 0 EGADMP Cc1ccc(C[NH2+]CCNC(=O)CC[N@H+](C)C2CCCCC2)cc1C ZINC001131815906 1373819318 /nfs/dbraw/zinc/81/93/18/1373819318.db2.gz YUUKMRAQKSWVIN-UHFFFAOYSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385075 1373831518 /nfs/dbraw/zinc/83/15/18/1373831518.db2.gz FFZWKRLANCCPOF-OXQOHEQNSA-N 2 1 330.472 3.202 20 0 EGADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385075 1373831527 /nfs/dbraw/zinc/83/15/27/1373831527.db2.gz FFZWKRLANCCPOF-OXQOHEQNSA-N 2 1 330.472 3.202 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc1 ZINC001222384954 1373832092 /nfs/dbraw/zinc/83/20/92/1373832092.db2.gz CCUQIQPWQFSQEE-OAQYLSRUSA-N 2 1 344.499 3.404 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc1 ZINC001222384954 1373832098 /nfs/dbraw/zinc/83/20/98/1373832098.db2.gz CCUQIQPWQFSQEE-OAQYLSRUSA-N 2 1 344.499 3.404 20 0 EGADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C3CC[NH+](C)CC3)cc2)C1 ZINC001188313413 1388288072 /nfs/dbraw/zinc/28/80/72/1388288072.db2.gz PJPWCUWLEFJMCK-HXUWFJFHSA-N 2 1 343.515 3.051 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCC1 ZINC001326898264 1388342972 /nfs/dbraw/zinc/34/29/72/1388342972.db2.gz GGFINTBNDDFDAP-IBGZPJMESA-N 2 1 349.563 3.458 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCCC(C)C)[C@H]2C1 ZINC001223962168 1375049727 /nfs/dbraw/zinc/04/97/27/1375049727.db2.gz JIGQQDOHVABUEP-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CCCC(C)C)[C@H]2C1 ZINC001223962168 1375049730 /nfs/dbraw/zinc/04/97/30/1375049730.db2.gz JIGQQDOHVABUEP-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CCCC(C)C)[C@H]2C1 ZINC001223962168 1375049734 /nfs/dbraw/zinc/04/97/34/1375049734.db2.gz JIGQQDOHVABUEP-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+]1CCC(COC[C@H]2C[N@@H+](Cc3ccccc3)CC(C)(C)O2)CC1 ZINC001224451825 1375067978 /nfs/dbraw/zinc/06/79/78/1375067978.db2.gz BDIXOFIIXSFIBA-HXUWFJFHSA-N 2 1 346.515 3.024 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1CC[NH+](CC2CCCCCC2)CC1 ZINC001225245671 1375099283 /nfs/dbraw/zinc/09/92/83/1375099283.db2.gz VLFDZOUJEPRAPI-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001225245029 1375099511 /nfs/dbraw/zinc/09/95/11/1375099511.db2.gz MCMOHROTQGQVQV-SFHVURJKSA-N 2 1 345.531 3.308 20 0 EGADMP CC(C)C[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132140262 1375167849 /nfs/dbraw/zinc/16/78/49/1375167849.db2.gz HADWTBAKCDIBOE-IAGOWNOFSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)C[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132140262 1375167851 /nfs/dbraw/zinc/16/78/51/1375167851.db2.gz HADWTBAKCDIBOE-IAGOWNOFSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)C[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132140262 1375167854 /nfs/dbraw/zinc/16/78/54/1375167854.db2.gz HADWTBAKCDIBOE-IAGOWNOFSA-N 2 1 337.552 3.265 20 0 EGADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cccc(F)c2)C1 ZINC001132152605 1375173337 /nfs/dbraw/zinc/17/33/37/1375173337.db2.gz FWZHONPGHZFYHV-MAUKXSAKSA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cccc(F)c2)C1 ZINC001132152605 1375173346 /nfs/dbraw/zinc/17/33/46/1375173346.db2.gz FWZHONPGHZFYHV-MAUKXSAKSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(F)c2)C1 ZINC001132152605 1375173351 /nfs/dbraw/zinc/17/33/51/1375173351.db2.gz FWZHONPGHZFYHV-MAUKXSAKSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(F)c2)C1 ZINC001132152605 1375173355 /nfs/dbraw/zinc/17/33/55/1375173355.db2.gz FWZHONPGHZFYHV-MAUKXSAKSA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cccc(C)c2)C1 ZINC001132154358 1375174556 /nfs/dbraw/zinc/17/45/56/1375174556.db2.gz ZCOGIBSVBNYOMA-MJGOQNOKSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(C)c2)C1 ZINC001132154358 1375174558 /nfs/dbraw/zinc/17/45/58/1375174558.db2.gz ZCOGIBSVBNYOMA-MJGOQNOKSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(C)c2)C1 ZINC001132154358 1375174561 /nfs/dbraw/zinc/17/45/61/1375174561.db2.gz ZCOGIBSVBNYOMA-MJGOQNOKSA-N 2 1 345.531 3.194 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@H+]1CCC1CC1 ZINC001132203381 1375206716 /nfs/dbraw/zinc/20/67/16/1375206716.db2.gz PHDWPBACOYUPKP-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1C/C=C\c1ccccc1 ZINC001132265562 1375254385 /nfs/dbraw/zinc/25/43/85/1375254385.db2.gz OLOQVTKCFFHRIJ-PJKWBFRZSA-N 2 1 343.515 3.011 20 0 EGADMP CCCc1ccc(C[N@H+]2C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)cc1 ZINC001132273149 1375258845 /nfs/dbraw/zinc/25/88/45/1375258845.db2.gz DLKSZKJRGNWTPR-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC(C)(C)C)C1 ZINC001132376396 1375338400 /nfs/dbraw/zinc/33/84/00/1375338400.db2.gz MPPJSBHCVFPPGQ-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001132380744 1375341037 /nfs/dbraw/zinc/34/10/37/1375341037.db2.gz OQKORCLYWCHVOX-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001226891847 1375353575 /nfs/dbraw/zinc/35/35/75/1375353575.db2.gz VKNRSURCMWUFOK-XUVXKRRUSA-N 2 1 347.547 3.378 20 0 EGADMP CCc1ccccc1C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132410833 1375359631 /nfs/dbraw/zinc/35/96/31/1375359631.db2.gz OWVIZDGYFZOTIH-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132410833 1375359637 /nfs/dbraw/zinc/35/96/37/1375359637.db2.gz OWVIZDGYFZOTIH-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132410833 1375359643 /nfs/dbraw/zinc/35/96/43/1375359643.db2.gz OWVIZDGYFZOTIH-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(C)cc2C)C1 ZINC001132440899 1375385470 /nfs/dbraw/zinc/38/54/70/1375385470.db2.gz HRYJIOUZHZVVNZ-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C)cc2C)C1 ZINC001132440899 1375385474 /nfs/dbraw/zinc/38/54/74/1375385474.db2.gz HRYJIOUZHZVVNZ-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001132440899 1375385476 /nfs/dbraw/zinc/38/54/76/1375385476.db2.gz HRYJIOUZHZVVNZ-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CCC(C)(C)C ZINC001132518949 1375437380 /nfs/dbraw/zinc/43/73/80/1375437380.db2.gz QLWOALSKIGSMSF-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132519398 1375437453 /nfs/dbraw/zinc/43/74/53/1375437453.db2.gz YDKXDDZYFAZZAH-IRXDYDNUSA-N 2 1 325.541 3.122 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCC(C)(C)C)C1 ZINC001132519398 1375437455 /nfs/dbraw/zinc/43/74/55/1375437455.db2.gz YDKXDDZYFAZZAH-IRXDYDNUSA-N 2 1 325.541 3.122 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC(C)(C)C)C1 ZINC001132519398 1375437456 /nfs/dbraw/zinc/43/74/56/1375437456.db2.gz YDKXDDZYFAZZAH-IRXDYDNUSA-N 2 1 325.541 3.122 20 0 EGADMP Cc1cccc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132521298 1375438049 /nfs/dbraw/zinc/43/80/49/1375438049.db2.gz BGMWXZRNYVWZIP-MOPGFXCFSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cccc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132521298 1375438050 /nfs/dbraw/zinc/43/80/50/1375438050.db2.gz BGMWXZRNYVWZIP-MOPGFXCFSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cccc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132521298 1375438052 /nfs/dbraw/zinc/43/80/52/1375438052.db2.gz BGMWXZRNYVWZIP-MOPGFXCFSA-N 2 1 345.531 3.113 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132525898 1375441851 /nfs/dbraw/zinc/44/18/51/1375441851.db2.gz WPYRVWMJQGAESY-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001228112477 1375519390 /nfs/dbraw/zinc/51/93/90/1375519390.db2.gz GDIBVUPYSINLIL-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP O=C(NCC[NH2+]CC1CCCCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790982 1375567180 /nfs/dbraw/zinc/56/71/80/1375567180.db2.gz OSBSNNSGUNGCGW-FQEVSTJZSA-N 2 1 349.563 3.460 20 0 EGADMP CC(C)[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133012276 1375709992 /nfs/dbraw/zinc/70/99/92/1375709992.db2.gz QMNKJHCTRFZSTO-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001133224776 1375853025 /nfs/dbraw/zinc/85/30/25/1375853025.db2.gz DUKQDPMMOMNFAF-WARJXXDVSA-N 2 1 337.552 3.149 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCCC(C)C)C[C@H]32)C1 ZINC001188917033 1388408999 /nfs/dbraw/zinc/40/89/99/1388408999.db2.gz AIFSIQGDHWKVBC-XUVXKRRUSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCCC(C)C)C[C@H]32)C1 ZINC001188917033 1388409003 /nfs/dbraw/zinc/40/90/03/1388409003.db2.gz AIFSIQGDHWKVBC-XUVXKRRUSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCCC(C)C)C[C@H]32)C1 ZINC001188917033 1388409008 /nfs/dbraw/zinc/40/90/08/1388409008.db2.gz AIFSIQGDHWKVBC-XUVXKRRUSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CCCC2)CC1 ZINC001230591937 1376090670 /nfs/dbraw/zinc/09/06/70/1376090670.db2.gz NFELXNHWCIHVMD-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@H+]2CC2CC(C)(C)C2)CC1 ZINC001230598059 1376092290 /nfs/dbraw/zinc/09/22/90/1376092290.db2.gz DDCRMMJYGSRNCJ-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001230598376 1376092712 /nfs/dbraw/zinc/09/27/12/1376092712.db2.gz MPKPJRMLUMSCID-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001230622662 1376104813 /nfs/dbraw/zinc/10/48/13/1376104813.db2.gz PPUOMAMYHHNHBN-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001230628045 1376106204 /nfs/dbraw/zinc/10/62/04/1376106204.db2.gz GJDWEKMMPSZGAY-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230631034 1376108677 /nfs/dbraw/zinc/10/86/77/1376108677.db2.gz WZBJRWRCEHVVJN-PXDRNWIDSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001230631034 1376108679 /nfs/dbraw/zinc/10/86/79/1376108679.db2.gz WZBJRWRCEHVVJN-PXDRNWIDSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230631034 1376108682 /nfs/dbraw/zinc/10/86/82/1376108682.db2.gz WZBJRWRCEHVVJN-PXDRNWIDSA-N 2 1 349.563 3.386 20 0 EGADMP C[N@@H+](CC(=O)NCC[NH2+]Cc1cc2ccccc2s1)CC(C)(C)C ZINC001133905964 1376258686 /nfs/dbraw/zinc/25/86/86/1376258686.db2.gz LEODPOIOFXHTDJ-UHFFFAOYSA-N 2 1 347.528 3.085 20 0 EGADMP Cc1cc(F)ncc1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001231983710 1376372337 /nfs/dbraw/zinc/37/23/37/1376372337.db2.gz BIFGEIRGIBTEKD-GOSISDBHSA-N 2 1 327.447 3.483 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012145 1376382553 /nfs/dbraw/zinc/38/25/53/1376382553.db2.gz TWUZZKZJFCFBAQ-OAHLLOKOSA-N 2 1 338.430 3.408 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012145 1376382562 /nfs/dbraw/zinc/38/25/62/1376382562.db2.gz TWUZZKZJFCFBAQ-OAHLLOKOSA-N 2 1 338.430 3.408 20 0 EGADMP O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2cc3c[nH+]ccc3[nH]2)N1c1ccsc1 ZINC001232014012 1376382668 /nfs/dbraw/zinc/38/26/68/1376382668.db2.gz FRALUAAQXWUXPF-DLBZAZTESA-N 2 1 338.436 3.004 20 0 EGADMP C[N@H+](Cc1cc2c[nH+]ccc2[nH]1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232014606 1376383752 /nfs/dbraw/zinc/38/37/52/1376383752.db2.gz SHECCGLMRDWKET-CQSZACIVSA-N 2 1 344.459 3.252 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cncc(O)c1)CC2 ZINC001232040716 1376388083 /nfs/dbraw/zinc/38/80/83/1376388083.db2.gz NEBXVGLGGLZHHT-IBGZPJMESA-N 2 1 341.455 3.257 20 0 EGADMP Cc1cnccc1O[C@@H]1CCN(Cc2cnc(-c3cccnc3)o2)C1 ZINC001232138817 1376406199 /nfs/dbraw/zinc/40/61/99/1376406199.db2.gz YOCOOVKUHQPPIY-MRXNPFEDSA-N 2 1 336.395 3.093 20 0 EGADMP Fc1ccnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1 ZINC001232494312 1376468798 /nfs/dbraw/zinc/46/87/98/1376468798.db2.gz PFIPWDOTHDSTGZ-UHFFFAOYSA-N 2 1 329.419 3.302 20 0 EGADMP COCOc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001233283614 1376603070 /nfs/dbraw/zinc/60/30/70/1376603070.db2.gz ODGVYHJGVRGXHQ-SFHVURJKSA-N 2 1 328.412 3.026 20 0 EGADMP COCOc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001233283614 1376603073 /nfs/dbraw/zinc/60/30/73/1376603073.db2.gz ODGVYHJGVRGXHQ-SFHVURJKSA-N 2 1 328.412 3.026 20 0 EGADMP CCc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001134606962 1376622511 /nfs/dbraw/zinc/62/25/11/1376622511.db2.gz BSXLLFDRMMKLBG-IAGOWNOFSA-N 2 1 345.531 3.106 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134611844 1376623994 /nfs/dbraw/zinc/62/39/94/1376623994.db2.gz CRIWXKITEQMEGF-IRXDYDNUSA-N 2 1 337.552 3.314 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001134765978 1376709422 /nfs/dbraw/zinc/70/94/22/1376709422.db2.gz BRHCHTAGHYDLAZ-ICSRJNTNSA-N 2 1 345.531 3.333 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCc2ccccc21 ZINC001134766856 1376709925 /nfs/dbraw/zinc/70/99/25/1376709925.db2.gz OCIYSMJZOONMFK-PMACEKPBSA-N 2 1 343.515 3.033 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C ZINC001134773139 1376714342 /nfs/dbraw/zinc/71/43/42/1376714342.db2.gz LSHCMHADIJVRGC-IRXDYDNUSA-N 2 1 333.520 3.098 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134791017 1376723978 /nfs/dbraw/zinc/72/39/78/1376723978.db2.gz MOEWGEKXLPHXDA-JKSUJKDBSA-N 2 1 337.552 3.312 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134791559 1376725010 /nfs/dbraw/zinc/72/50/10/1376725010.db2.gz TZUBDRFYUYLEKF-HOTGVXAUSA-N 2 1 337.552 3.312 20 0 EGADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(-c2ccsc2)cs1 ZINC001235189173 1376856001 /nfs/dbraw/zinc/85/60/01/1376856001.db2.gz OXUHFJLDWPEORE-UHFFFAOYSA-N 2 1 335.542 3.156 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C[C@H]1CC[NH+]1Cc1ccsc1 ZINC001235338192 1376868261 /nfs/dbraw/zinc/86/82/61/1376868261.db2.gz VKDSEXRKWQDILT-QZTJIDSGSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C[C@H]1CC[NH+]1Cc1ccsc1 ZINC001235338192 1376868270 /nfs/dbraw/zinc/86/82/70/1376868270.db2.gz VKDSEXRKWQDILT-QZTJIDSGSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccsc1 ZINC001235338192 1376868276 /nfs/dbraw/zinc/86/82/76/1376868276.db2.gz VKDSEXRKWQDILT-QZTJIDSGSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccsc1 ZINC001235338192 1376868284 /nfs/dbraw/zinc/86/82/84/1376868284.db2.gz VKDSEXRKWQDILT-QZTJIDSGSA-N 2 1 349.544 3.044 20 0 EGADMP CCOC(=O)c1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235428818 1376870100 /nfs/dbraw/zinc/87/01/00/1376870100.db2.gz RFLXVEQPEROCFQ-IRXDYDNUSA-N 2 1 330.472 3.075 20 0 EGADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427561 1376870318 /nfs/dbraw/zinc/87/03/18/1376870318.db2.gz MELBOJLOLLKKKW-RBUKOAKNSA-N 2 1 330.472 3.075 20 0 EGADMP CCOc1nccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235430563 1376871636 /nfs/dbraw/zinc/87/16/36/1376871636.db2.gz IGTDYRUFNJILHN-CABCVRRESA-N 2 1 337.895 3.345 20 0 EGADMP COCC[N@H+](Cc1cc(C)cc(OC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235945014 1376921852 /nfs/dbraw/zinc/92/18/52/1376921852.db2.gz QEFLTCWGBAOINQ-UHFFFAOYSA-N 2 1 346.393 3.094 20 0 EGADMP COCC[N@@H+](Cc1cc(C)cc(OC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235945014 1376921868 /nfs/dbraw/zinc/92/18/68/1376921868.db2.gz QEFLTCWGBAOINQ-UHFFFAOYSA-N 2 1 346.393 3.094 20 0 EGADMP CCC[N@H+](Cc1ccc(OC(F)(F)F)c(OC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236845080 1376966059 /nfs/dbraw/zinc/96/60/59/1376966059.db2.gz YUIATZMBPBYQNR-CQSZACIVSA-N 2 1 346.393 3.415 20 0 EGADMP CCC[N@H+](Cc1ccc(-n2cccn2)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236843861 1376966599 /nfs/dbraw/zinc/96/65/99/1376966599.db2.gz RTWZOUDNWCGWAF-INIZCTEOSA-N 2 1 332.879 3.347 20 0 EGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246937703 1377056080 /nfs/dbraw/zinc/05/60/80/1377056080.db2.gz BULPKFNSCDIVNX-CWRNSKLLSA-N 2 1 342.405 3.448 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5n4CCC5)C[C@H]3C2)cc1 ZINC001248821510 1377071457 /nfs/dbraw/zinc/07/14/57/1377071457.db2.gz CORWEQGAQYWTNN-WOJBJXKFSA-N 2 1 335.495 3.307 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001135440211 1377098453 /nfs/dbraw/zinc/09/84/53/1377098453.db2.gz HXSJPPVASTZFIJ-HXUWFJFHSA-N 2 1 345.531 3.282 20 0 EGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cncn2Cc2ccc(Cl)cc2)CC1 ZINC001254510321 1377105184 /nfs/dbraw/zinc/10/51/84/1377105184.db2.gz MHSZKDSXYJEXEN-KRWDZBQOSA-N 2 1 332.879 3.159 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cncn2Cc2ccc(Cl)cc2)CC1 ZINC001254510321 1377105188 /nfs/dbraw/zinc/10/51/88/1377105188.db2.gz MHSZKDSXYJEXEN-KRWDZBQOSA-N 2 1 332.879 3.159 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC001254511064 1377105578 /nfs/dbraw/zinc/10/55/78/1377105578.db2.gz UKUZYTUOVAMRCK-IBGZPJMESA-N 3 1 333.495 3.112 20 0 EGADMP CN1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC001254511064 1377105580 /nfs/dbraw/zinc/10/55/80/1377105580.db2.gz UKUZYTUOVAMRCK-IBGZPJMESA-N 2 1 333.495 3.112 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CC1 ZINC001254526615 1377106586 /nfs/dbraw/zinc/10/65/86/1377106586.db2.gz RXVAYTSEVITTIV-MANSERQUSA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+]1CCC[C@@H]([N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CC1 ZINC001254526615 1377106587 /nfs/dbraw/zinc/10/65/87/1377106587.db2.gz RXVAYTSEVITTIV-MANSERQUSA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+]1CCC[C@@H]([N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CC1 ZINC001254526615 1377106589 /nfs/dbraw/zinc/10/65/89/1377106589.db2.gz RXVAYTSEVITTIV-MANSERQUSA-N 2 1 349.563 3.266 20 0 EGADMP C[N@@H+]([C@H]1CCC[NH+](C)CC1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001254528955 1377106643 /nfs/dbraw/zinc/10/66/43/1377106643.db2.gz BJIKPQNGHWLNGE-INIZCTEOSA-N 2 1 339.524 3.192 20 0 EGADMP C[NH+]([C@H]1CCC[N@H+](C)CC1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001254528955 1377106644 /nfs/dbraw/zinc/10/66/44/1377106644.db2.gz BJIKPQNGHWLNGE-INIZCTEOSA-N 2 1 339.524 3.192 20 0 EGADMP C[NH+]([C@H]1CCC[N@@H+](C)CC1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001254528955 1377106645 /nfs/dbraw/zinc/10/66/45/1377106645.db2.gz BJIKPQNGHWLNGE-INIZCTEOSA-N 2 1 339.524 3.192 20 0 EGADMP C[N@H+]1CCC[C@H](N2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)CC1 ZINC001254530211 1377107183 /nfs/dbraw/zinc/10/71/83/1377107183.db2.gz VBROFOVGCVPRLJ-PZJWPPBQSA-N 2 1 327.516 3.166 20 0 EGADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(CC2)OC(=O)c2cc(Cl)ccc23)CC1 ZINC001254530000 1377107367 /nfs/dbraw/zinc/10/73/67/1377107367.db2.gz SUQIOFDAXZIBBH-HNNXBMFYSA-N 2 1 348.874 3.286 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477187 1377110494 /nfs/dbraw/zinc/11/04/94/1377110494.db2.gz SDJBUPMZSJAUFB-CVEARBPZSA-N 2 1 325.541 3.027 20 0 EGADMP Cc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135476371 1377110514 /nfs/dbraw/zinc/11/05/14/1377110514.db2.gz KBWJOVXNTKROOR-ZWKOTPCHSA-N 2 1 347.547 3.346 20 0 EGADMP Cc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001135477907 1377111525 /nfs/dbraw/zinc/11/15/25/1377111525.db2.gz XJRTYGRFGQBUBM-MSOLQXFVSA-N 2 1 347.547 3.346 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CCCC1 ZINC001135583704 1377155214 /nfs/dbraw/zinc/15/52/14/1377155214.db2.gz CUUYEXIFWUTLDN-DLBZAZTESA-N 2 1 348.535 3.460 20 0 EGADMP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135585962 1377155335 /nfs/dbraw/zinc/15/53/35/1377155335.db2.gz VDHRHUWMJGCVIA-SJORKVTESA-N 2 1 336.524 3.460 20 0 EGADMP CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135585941 1377155775 /nfs/dbraw/zinc/15/57/75/1377155775.db2.gz UWODCWYXFOOPSO-PWHGLLLSSA-N 2 1 334.508 3.236 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCCC1 ZINC001135678222 1377181326 /nfs/dbraw/zinc/18/13/26/1377181326.db2.gz DDTAEPJSLODXFT-CVEARBPZSA-N 2 1 334.508 3.035 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001266182444 1377218836 /nfs/dbraw/zinc/21/88/36/1377218836.db2.gz IECMFKINYRGSSW-HNAYVOBHSA-N 2 1 349.494 3.029 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001135858242 1377236939 /nfs/dbraw/zinc/23/69/39/1377236939.db2.gz VOXVLOMNWZUPML-LSDHHAIUSA-N 2 1 339.911 3.055 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001135926011 1377265426 /nfs/dbraw/zinc/26/54/26/1377265426.db2.gz AQYMSQURLJTLFX-UXHICEINSA-N 2 1 345.531 3.090 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001327297728 1388488359 /nfs/dbraw/zinc/48/83/59/1388488359.db2.gz BHSZAYMBIQNJKJ-PMACEKPBSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135974477 1377283582 /nfs/dbraw/zinc/28/35/82/1377283582.db2.gz PUMLREWVBKHZFW-RBUKOAKNSA-N 2 1 347.547 3.408 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001135974835 1377283808 /nfs/dbraw/zinc/28/38/08/1377283808.db2.gz WKAMWKHWPQKIMK-MSOLQXFVSA-N 2 1 333.520 3.100 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001135977792 1377285127 /nfs/dbraw/zinc/28/51/27/1377285127.db2.gz ZFUQWTQHKILWNO-JKSUJKDBSA-N 2 1 345.487 3.148 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135981133 1377286160 /nfs/dbraw/zinc/28/61/60/1377286160.db2.gz YOACEWUNNKLUFN-ZWKOTPCHSA-N 2 1 333.520 3.018 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCCn2ccnc2)C1 ZINC001266364504 1377296843 /nfs/dbraw/zinc/29/68/43/1377296843.db2.gz WZFBFRXQHQONSV-MOPGFXCFSA-N 2 1 340.471 3.005 20 0 EGADMP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001136536107 1377403506 /nfs/dbraw/zinc/40/35/06/1377403506.db2.gz RHWMKNSZFQLUHY-UXHICEINSA-N 2 1 345.531 3.230 20 0 EGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OCc4ccc(F)cc4)cc3)C[C@@H]2C1 ZINC001138251546 1377693795 /nfs/dbraw/zinc/69/37/95/1377693795.db2.gz QKKLWYPUZLHSPO-KDURUIRLSA-N 2 1 340.442 3.398 20 0 EGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OCc4ccc(F)cc4)cc3)C[C@@H]2C1 ZINC001138251546 1377693796 /nfs/dbraw/zinc/69/37/96/1377693796.db2.gz QKKLWYPUZLHSPO-KDURUIRLSA-N 2 1 340.442 3.398 20 0 EGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OCc4ccc(F)cc4)cc3)C[C@@H]2C1 ZINC001138251546 1377693797 /nfs/dbraw/zinc/69/37/97/1377693797.db2.gz QKKLWYPUZLHSPO-KDURUIRLSA-N 2 1 340.442 3.398 20 0 EGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OCc4ccc(F)cc4)cc3)C[C@@H]2C1 ZINC001138251546 1377693798 /nfs/dbraw/zinc/69/37/98/1377693798.db2.gz QKKLWYPUZLHSPO-KDURUIRLSA-N 2 1 340.442 3.398 20 0 EGADMP COC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC001138542623 1377738723 /nfs/dbraw/zinc/73/87/23/1377738723.db2.gz HHYNYNXZJCFPSG-QUCCMNQESA-N 2 1 325.456 3.429 20 0 EGADMP COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC001138542623 1377738726 /nfs/dbraw/zinc/73/87/26/1377738726.db2.gz HHYNYNXZJCFPSG-QUCCMNQESA-N 2 1 325.456 3.429 20 0 EGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccccc3N3CCCCC3)C[C@@H]2C1 ZINC001138606888 1377751659 /nfs/dbraw/zinc/75/16/59/1377751659.db2.gz AXLOQEQPDLMWMW-PMACEKPBSA-N 2 1 327.516 3.451 20 0 EGADMP Cn1ncc2ccc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc21 ZINC001139908161 1377975781 /nfs/dbraw/zinc/97/57/81/1377975781.db2.gz GEFFBJMYUPWMIK-OYRHEFFESA-N 2 1 346.478 3.137 20 0 EGADMP Cn1ncc2ccc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc21 ZINC001139908161 1377975786 /nfs/dbraw/zinc/97/57/86/1377975786.db2.gz GEFFBJMYUPWMIK-OYRHEFFESA-N 2 1 346.478 3.137 20 0 EGADMP Cn1ncc2ccc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)cc21 ZINC001139908161 1377975789 /nfs/dbraw/zinc/97/57/89/1377975789.db2.gz GEFFBJMYUPWMIK-OYRHEFFESA-N 2 1 346.478 3.137 20 0 EGADMP Cn1ncc2ccc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)cc21 ZINC001139908161 1377975795 /nfs/dbraw/zinc/97/57/95/1377975795.db2.gz GEFFBJMYUPWMIK-OYRHEFFESA-N 2 1 346.478 3.137 20 0 EGADMP C[N@H+]1CC[C@]2(CCN(Cc3c[nH]c4cccc(Br)c34)C2)C1 ZINC001139965870 1377984606 /nfs/dbraw/zinc/98/46/06/1377984606.db2.gz CXRPMIWQRVXHDG-KRWDZBQOSA-N 2 1 348.288 3.458 20 0 EGADMP Oc1cnccc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140278605 1378039423 /nfs/dbraw/zinc/03/94/23/1378039423.db2.gz GTYMWDGZRMGDHQ-RBUKOAKNSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cnccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140278605 1378039424 /nfs/dbraw/zinc/03/94/24/1378039424.db2.gz GTYMWDGZRMGDHQ-RBUKOAKNSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cnccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140278605 1378039426 /nfs/dbraw/zinc/03/94/26/1378039426.db2.gz GTYMWDGZRMGDHQ-RBUKOAKNSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cnccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140278605 1378039427 /nfs/dbraw/zinc/03/94/27/1378039427.db2.gz GTYMWDGZRMGDHQ-RBUKOAKNSA-N 2 1 337.467 3.131 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2CC(=O)OC)CC1 ZINC001140654258 1378106163 /nfs/dbraw/zinc/10/61/63/1378106163.db2.gz XZNLXPXDWAPKCW-UHFFFAOYSA-N 2 1 332.488 3.098 20 0 EGADMP Cc1cc(CN2CCC3(CC[N@H+](C)C3)CC2)ncc1Br ZINC001275600352 1378145388 /nfs/dbraw/zinc/14/53/88/1378145388.db2.gz MKWHLEYEUYLYOY-UHFFFAOYSA-N 2 1 338.293 3.070 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)ncc1Br ZINC001275600352 1378145390 /nfs/dbraw/zinc/14/53/90/1378145390.db2.gz MKWHLEYEUYLYOY-UHFFFAOYSA-N 2 1 338.293 3.070 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)ncc1Br ZINC001275600352 1378145394 /nfs/dbraw/zinc/14/53/94/1378145394.db2.gz MKWHLEYEUYLYOY-UHFFFAOYSA-N 2 1 338.293 3.070 20 0 EGADMP C[NH+]1CC2(C1)CCCN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C2 ZINC001276492812 1378175790 /nfs/dbraw/zinc/17/57/90/1378175790.db2.gz ZMZVHEXGUUDHJF-FQEVSTJZSA-N 2 1 327.516 3.069 20 0 EGADMP CCN(CC[NH+]1CCC2(CCC[N@@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001276491389 1378175898 /nfs/dbraw/zinc/17/58/98/1378175898.db2.gz HGUVSJKXTLVJOF-UHFFFAOYSA-N 2 1 339.524 3.051 20 0 EGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OC(F)(F)F)cc3C)C[C@H]2C1 ZINC001140965228 1378196396 /nfs/dbraw/zinc/19/63/96/1378196396.db2.gz JFXULUGBVADZBL-HUUCEWRRSA-N 2 1 328.378 3.277 20 0 EGADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1csc(-c3ccncc3)n1)CC2 ZINC001277423914 1378222099 /nfs/dbraw/zinc/22/20/99/1378222099.db2.gz WGCVHHOHRHXXRD-UHFFFAOYSA-N 2 1 328.485 3.123 20 0 EGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1csc(-c3ccncc3)n1)CC2 ZINC001277423914 1378222103 /nfs/dbraw/zinc/22/21/03/1378222103.db2.gz WGCVHHOHRHXXRD-UHFFFAOYSA-N 2 1 328.485 3.123 20 0 EGADMP CCCC[C@@H](CC)C[N@@H+]1CCC2(C1)CC[NH+](Cc1nncn1C)CC2 ZINC001277623897 1378240617 /nfs/dbraw/zinc/24/06/17/1378240617.db2.gz OOVRPEZWQGPVDZ-GOSISDBHSA-N 2 1 347.551 3.319 20 0 EGADMP CCCC[C@@H](CC)C[N@H+]1CCC2(C1)CC[NH+](Cc1nncn1C)CC2 ZINC001277623897 1378240621 /nfs/dbraw/zinc/24/06/21/1378240621.db2.gz OOVRPEZWQGPVDZ-GOSISDBHSA-N 2 1 347.551 3.319 20 0 EGADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccnc(-c4ccc(F)cc4)c3)C[C@@H]2C1 ZINC001141122253 1378245201 /nfs/dbraw/zinc/24/52/01/1378245201.db2.gz SZSAMBIHKSNXHM-ROUUACIJSA-N 2 1 325.431 3.271 20 0 EGADMP NC(=O)CCCCC[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001278217896 1378264218 /nfs/dbraw/zinc/26/42/18/1378264218.db2.gz PMHHHIDRHUKQCM-UHFFFAOYSA-N 2 1 335.536 3.153 20 0 EGADMP CN(C)c1cccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001141259219 1378285518 /nfs/dbraw/zinc/28/55/18/1378285518.db2.gz HOAAXMWATIKCIE-ROUUACIJSA-N 2 1 341.524 3.378 20 0 EGADMP Fc1ccc(-c2noc([C@@H]3CCC[N@@H+](C[C@@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC001327513527 1388544055 /nfs/dbraw/zinc/54/40/55/1388544055.db2.gz XJDPTFMNAXZNKJ-GDBMZVCRSA-N 2 1 344.434 3.055 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1OC1CCCC1 ZINC001141515625 1378337510 /nfs/dbraw/zinc/33/75/10/1378337510.db2.gz KEDCIXXYVYQYLM-MSOLQXFVSA-N 2 1 344.499 3.400 20 0 EGADMP COc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1OC1CCCC1 ZINC001141515625 1378337517 /nfs/dbraw/zinc/33/75/17/1378337517.db2.gz KEDCIXXYVYQYLM-MSOLQXFVSA-N 2 1 344.499 3.400 20 0 EGADMP COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1OC1CCCC1 ZINC001141515625 1378337523 /nfs/dbraw/zinc/33/75/23/1378337523.db2.gz KEDCIXXYVYQYLM-MSOLQXFVSA-N 2 1 344.499 3.400 20 0 EGADMP CC(=O)OCc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)o1 ZINC001141792342 1378377855 /nfs/dbraw/zinc/37/78/55/1378377855.db2.gz NLXNMOJZTWOAOR-DLBZAZTESA-N 2 1 334.460 3.182 20 0 EGADMP CC(=O)OCc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)o1 ZINC001141792342 1378377859 /nfs/dbraw/zinc/37/78/59/1378377859.db2.gz NLXNMOJZTWOAOR-DLBZAZTESA-N 2 1 334.460 3.182 20 0 EGADMP CC(=O)OCc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)o1 ZINC001141792342 1378377864 /nfs/dbraw/zinc/37/78/64/1378377864.db2.gz NLXNMOJZTWOAOR-DLBZAZTESA-N 2 1 334.460 3.182 20 0 EGADMP CC(=O)OCc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)o1 ZINC001141792342 1378377870 /nfs/dbraw/zinc/37/78/70/1378377870.db2.gz NLXNMOJZTWOAOR-DLBZAZTESA-N 2 1 334.460 3.182 20 0 EGADMP Cn1cc2c(cccc2C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001142460513 1378445392 /nfs/dbraw/zinc/44/53/92/1378445392.db2.gz LTLJDLQYPXZOFZ-BGYRXZFFSA-N 2 1 346.478 3.137 20 0 EGADMP Cn1cc2c(cccc2C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001142460513 1378445393 /nfs/dbraw/zinc/44/53/93/1378445393.db2.gz LTLJDLQYPXZOFZ-BGYRXZFFSA-N 2 1 346.478 3.137 20 0 EGADMP Cn1cc2c(cccc2C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001142460513 1378445395 /nfs/dbraw/zinc/44/53/95/1378445395.db2.gz LTLJDLQYPXZOFZ-BGYRXZFFSA-N 2 1 346.478 3.137 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)CC(C)(C)C ZINC001143140334 1378546521 /nfs/dbraw/zinc/54/65/21/1378546521.db2.gz NJFPVQXDEOBAKW-QZTJIDSGSA-N 2 1 339.568 3.323 20 0 EGADMP Cc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c(N)n1 ZINC001143198120 1378558313 /nfs/dbraw/zinc/55/83/13/1378558313.db2.gz SIOUOEURMIKNQY-UHFFFAOYSA-N 2 1 347.466 3.151 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](C)CC(CC)CC)CC1 ZINC001283311021 1378797507 /nfs/dbraw/zinc/79/75/07/1378797507.db2.gz QKNVVAHQAVMWRE-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CC(CC)CC)CC1 ZINC001283311021 1378797508 /nfs/dbraw/zinc/79/75/08/1378797508.db2.gz QKNVVAHQAVMWRE-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CC(CC)CC)CC1 ZINC001283311021 1378797509 /nfs/dbraw/zinc/79/75/09/1378797509.db2.gz QKNVVAHQAVMWRE-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC(CC)CC)CC1 ZINC001283311019 1378797525 /nfs/dbraw/zinc/79/75/25/1378797525.db2.gz QKNVVAHQAVMWRE-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC(CC)CC)CC1 ZINC001283311019 1378797526 /nfs/dbraw/zinc/79/75/26/1378797526.db2.gz QKNVVAHQAVMWRE-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC(CC)CC)CC1 ZINC001283311019 1378797527 /nfs/dbraw/zinc/79/75/27/1378797527.db2.gz QKNVVAHQAVMWRE-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP Cc1cc(C)cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001146590774 1378871791 /nfs/dbraw/zinc/87/17/91/1378871791.db2.gz AFZDOBZOYRNJSM-ZWKOTPCHSA-N 2 1 333.520 3.017 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001146593893 1378872966 /nfs/dbraw/zinc/87/29/66/1378872966.db2.gz RCLPMNLOWZTTRD-HUUCEWRRSA-N 2 1 347.494 3.025 20 0 EGADMP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1C ZINC001146593898 1378873161 /nfs/dbraw/zinc/87/31/61/1378873161.db2.gz RDFMGBRRELMANL-ZWKOTPCHSA-N 2 1 333.520 3.017 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1Cl ZINC001146595075 1378874761 /nfs/dbraw/zinc/87/47/61/1378874761.db2.gz WTNARBJGXGGBNJ-LSDHHAIUSA-N 2 1 339.911 3.053 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001146601112 1378875313 /nfs/dbraw/zinc/87/53/13/1378875313.db2.gz KBHQGQLVQYLDJM-IRXDYDNUSA-N 2 1 345.531 3.277 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ccc(C2CCCCC2)cc1 ZINC001146704678 1378902923 /nfs/dbraw/zinc/90/29/23/1378902923.db2.gz FTSNZIVAKKOAHO-UHFFFAOYSA-N 2 1 345.531 3.282 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1)[NH2+]CCC(C)(C)C ZINC001146707257 1378904282 /nfs/dbraw/zinc/90/42/82/1378904282.db2.gz PTNNPZLMHZMASI-MSOLQXFVSA-N 2 1 347.547 3.428 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1)[NH2+]CCC(C)(C)C ZINC001146707257 1378904285 /nfs/dbraw/zinc/90/42/85/1378904285.db2.gz PTNNPZLMHZMASI-MSOLQXFVSA-N 2 1 347.547 3.428 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH2+]CCCC(C)(C)C)c1ccccc1 ZINC001147457337 1379025194 /nfs/dbraw/zinc/02/51/94/1379025194.db2.gz FGTNYLYSJRNRGI-SFHVURJKSA-N 2 1 333.520 3.212 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147717395 1379065252 /nfs/dbraw/zinc/06/52/52/1379065252.db2.gz WLRJFCRDFIMLAE-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147717395 1379065257 /nfs/dbraw/zinc/06/52/57/1379065257.db2.gz WLRJFCRDFIMLAE-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147717395 1379065260 /nfs/dbraw/zinc/06/52/60/1379065260.db2.gz WLRJFCRDFIMLAE-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148168319 1379127903 /nfs/dbraw/zinc/12/79/03/1379127903.db2.gz PTZOWBWJACGJBO-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CCCCC1)C2)[NH+](CC)CC ZINC001148285104 1379146332 /nfs/dbraw/zinc/14/63/32/1379146332.db2.gz MOCHKQORLUBZPB-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001148827543 1379278232 /nfs/dbraw/zinc/27/82/32/1379278232.db2.gz FPVLEDRDLNVMDA-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001148833781 1379278948 /nfs/dbraw/zinc/27/89/48/1379278948.db2.gz JKCIGAXHFKVLHH-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001148833781 1379278954 /nfs/dbraw/zinc/27/89/54/1379278954.db2.gz JKCIGAXHFKVLHH-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CC[N@@H+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392919 1379926217 /nfs/dbraw/zinc/92/62/17/1379926217.db2.gz YPWPTEVZCOUHAW-XLIONFOSSA-N 2 1 345.531 3.231 20 0 EGADMP CC[NH+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152392919 1379926220 /nfs/dbraw/zinc/92/62/20/1379926220.db2.gz YPWPTEVZCOUHAW-XLIONFOSSA-N 2 1 345.531 3.231 20 0 EGADMP CC[NH+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152392919 1379926223 /nfs/dbraw/zinc/92/62/23/1379926223.db2.gz YPWPTEVZCOUHAW-XLIONFOSSA-N 2 1 345.531 3.231 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313664 1380053551 /nfs/dbraw/zinc/05/35/51/1380053551.db2.gz UURWWEIEIFSZRI-PSUNPMBVSA-N 2 1 337.552 3.432 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153313664 1380053557 /nfs/dbraw/zinc/05/35/57/1380053557.db2.gz UURWWEIEIFSZRI-PSUNPMBVSA-N 2 1 337.552 3.432 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153313664 1380053560 /nfs/dbraw/zinc/05/35/60/1380053560.db2.gz UURWWEIEIFSZRI-PSUNPMBVSA-N 2 1 337.552 3.432 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313502 1380053597 /nfs/dbraw/zinc/05/35/97/1380053597.db2.gz UBLBAOAQBDKUGW-IEBWSBKVSA-N 2 1 335.536 3.186 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153313502 1380053599 /nfs/dbraw/zinc/05/35/99/1380053599.db2.gz UBLBAOAQBDKUGW-IEBWSBKVSA-N 2 1 335.536 3.186 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153313502 1380053604 /nfs/dbraw/zinc/05/36/04/1380053604.db2.gz UBLBAOAQBDKUGW-IEBWSBKVSA-N 2 1 335.536 3.186 20 0 EGADMP C[N@H+](CC(=O)NCC[NH2+]CC1CCC(C)(C)CC1)Cc1ccccc1 ZINC001153319179 1380055060 /nfs/dbraw/zinc/05/50/60/1380055060.db2.gz COGQPXHQUHICIZ-UHFFFAOYSA-N 2 1 345.531 3.041 20 0 EGADMP C[N@@H+](CC(=O)NCC[NH2+]CC1CCC(C)(C)CC1)Cc1ccccc1 ZINC001153319179 1380055065 /nfs/dbraw/zinc/05/50/65/1380055065.db2.gz COGQPXHQUHICIZ-UHFFFAOYSA-N 2 1 345.531 3.041 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@H+](CC)CCC1CC1 ZINC001153432264 1380075962 /nfs/dbraw/zinc/07/59/62/1380075962.db2.gz IFVBALLZWPTWCF-HZPDHXFCSA-N 2 1 334.508 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CCC1CC1 ZINC001153432264 1380075966 /nfs/dbraw/zinc/07/59/66/1380075966.db2.gz IFVBALLZWPTWCF-HZPDHXFCSA-N 2 1 334.508 3.023 20 0 EGADMP CC[C@@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677927 1380113576 /nfs/dbraw/zinc/11/35/76/1380113576.db2.gz RWJHJBNBCZQRKC-HUUCEWRRSA-N 2 1 339.549 3.296 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CC2(CCC2)C1 ZINC001153720543 1380118686 /nfs/dbraw/zinc/11/86/86/1380118686.db2.gz JCCCBDUIRREXBB-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC1CC2(CCC2)C1 ZINC001153720543 1380118691 /nfs/dbraw/zinc/11/86/91/1380118691.db2.gz JCCCBDUIRREXBB-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC1CC2(CCC2)C1 ZINC001153720543 1380118697 /nfs/dbraw/zinc/11/86/97/1380118697.db2.gz JCCCBDUIRREXBB-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153879826 1380148965 /nfs/dbraw/zinc/14/89/65/1380148965.db2.gz MVGIOCCKVFFAOK-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCCC1CCC1)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153879826 1380148967 /nfs/dbraw/zinc/14/89/67/1380148967.db2.gz MVGIOCCKVFFAOK-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCCC1CCC1)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153879826 1380148969 /nfs/dbraw/zinc/14/89/69/1380148969.db2.gz MVGIOCCKVFFAOK-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930271 1380157147 /nfs/dbraw/zinc/15/71/47/1380157147.db2.gz MJIFBQLKNQRVIS-SJORKVTESA-N 2 1 327.557 3.226 20 0 EGADMP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033502 1380187371 /nfs/dbraw/zinc/18/73/71/1380187371.db2.gz BBWHCFMYJGUGEQ-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154033502 1380187374 /nfs/dbraw/zinc/18/73/74/1380187374.db2.gz BBWHCFMYJGUGEQ-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154033502 1380187378 /nfs/dbraw/zinc/18/73/78/1380187378.db2.gz BBWHCFMYJGUGEQ-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001154083235 1380202074 /nfs/dbraw/zinc/20/20/74/1380202074.db2.gz MYVUEDUCBRGYMX-LKGOPFMKSA-N 2 1 346.519 3.091 20 0 EGADMP C[C@@H]([NH2+]C1CC(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001284790303 1380211976 /nfs/dbraw/zinc/21/19/76/1380211976.db2.gz RGCDDRSXHLPBFU-IPJUCJBFSA-N 2 1 345.531 3.305 20 0 EGADMP CC[N@@H+](Cc1ccsc1)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154348212 1380261386 /nfs/dbraw/zinc/26/13/86/1380261386.db2.gz VSESMGZUYKPGQN-CQSZACIVSA-N 2 1 342.468 3.036 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154464540 1380283094 /nfs/dbraw/zinc/28/30/94/1380283094.db2.gz PBPPUJZYTAWQLN-CNZFZVQHSA-N 2 1 337.552 3.434 20 0 EGADMP c1ccc2c(c1)CC[N@H+]1CCN(c3ncccc3C[NH+]3CCCC3)C[C@@H]21 ZINC001155103945 1380409651 /nfs/dbraw/zinc/40/96/51/1380409651.db2.gz WGMPLBSPNDYJJQ-NRFANRHFSA-N 2 1 348.494 3.097 20 0 EGADMP c1ccc2c(c1)CC[N@@H+]1CCN(c3ncccc3C[NH+]3CCCC3)C[C@@H]21 ZINC001155103945 1380409652 /nfs/dbraw/zinc/40/96/52/1380409652.db2.gz WGMPLBSPNDYJJQ-NRFANRHFSA-N 2 1 348.494 3.097 20 0 EGADMP CC[N@@H+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155227128 1380426645 /nfs/dbraw/zinc/42/66/45/1380426645.db2.gz VBSIDRYXAGNDPY-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155227128 1380426646 /nfs/dbraw/zinc/42/66/46/1380426646.db2.gz VBSIDRYXAGNDPY-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155227128 1380426647 /nfs/dbraw/zinc/42/66/47/1380426647.db2.gz VBSIDRYXAGNDPY-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155282978 1380433148 /nfs/dbraw/zinc/43/31/48/1380433148.db2.gz GEELAXLIIHVHHK-HJCTWCACSA-N 2 1 337.552 3.291 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001155282978 1380433149 /nfs/dbraw/zinc/43/31/49/1380433149.db2.gz GEELAXLIIHVHHK-HJCTWCACSA-N 2 1 337.552 3.291 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001155282978 1380433150 /nfs/dbraw/zinc/43/31/50/1380433150.db2.gz GEELAXLIIHVHHK-HJCTWCACSA-N 2 1 337.552 3.291 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155838704 1380497978 /nfs/dbraw/zinc/49/79/78/1380497978.db2.gz BMOAPZPQJCGQSO-QGZVFWFLSA-N 2 1 345.531 3.379 20 0 EGADMP CC[NH+](CCCc1ccc(C)cc1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156193837 1380539515 /nfs/dbraw/zinc/53/95/15/1380539515.db2.gz HTTKWGRECQUAKK-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CCCc1ccc(C)cc1 ZINC001156193837 1380539517 /nfs/dbraw/zinc/53/95/17/1380539517.db2.gz HTTKWGRECQUAKK-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CCCc1ccc(C)cc1 ZINC001156193837 1380539519 /nfs/dbraw/zinc/53/95/19/1380539519.db2.gz HTTKWGRECQUAKK-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP CC[NH+](Cc1c(C)cc(C)cc1C)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156200051 1380540776 /nfs/dbraw/zinc/54/07/76/1380540776.db2.gz HPUMZNDECFYQLM-LJQANCHMSA-N 2 1 347.547 3.280 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1c(C)cc(C)cc1C ZINC001156200051 1380540778 /nfs/dbraw/zinc/54/07/78/1380540778.db2.gz HPUMZNDECFYQLM-LJQANCHMSA-N 2 1 347.547 3.280 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1c(C)cc(C)cc1C ZINC001156200051 1380540779 /nfs/dbraw/zinc/54/07/79/1380540779.db2.gz HPUMZNDECFYQLM-LJQANCHMSA-N 2 1 347.547 3.280 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](F)CC ZINC001156318859 1380557522 /nfs/dbraw/zinc/55/75/22/1380557522.db2.gz JSYAFNZSSBSWJM-QZTJIDSGSA-N 2 1 345.547 3.463 20 0 EGADMP COc1cc2cc[nH+]c(NCC[C@H]3CCC[N@@H+](C)C3)c2cc1OC ZINC001156389430 1380570129 /nfs/dbraw/zinc/57/01/29/1380570129.db2.gz PYWRBUZYPIOMGU-CQSZACIVSA-N 2 1 329.444 3.396 20 0 EGADMP C[N@@H+](Cc1ccc(NCC2C[NH+](Cc3ccccc3)C2)nc1)C1CC1 ZINC001156403560 1380572217 /nfs/dbraw/zinc/57/22/17/1380572217.db2.gz ZQCFJYUWBSQQSC-UHFFFAOYSA-N 2 1 336.483 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC001156432386 1380575694 /nfs/dbraw/zinc/57/56/94/1380575694.db2.gz SCOGKOUUVNGPKC-INIZCTEOSA-N 2 1 338.455 3.308 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@@H](C)CC(C)C)CC1(C)C ZINC001328098839 1388670550 /nfs/dbraw/zinc/67/05/50/1388670550.db2.gz QRVLPSSPYHPLBQ-ROUUACIJSA-N 2 1 339.568 3.227 20 0 EGADMP CCCC[NH+](CCCC)CCNc1cccc(N2CCOCC2)[nH+]1 ZINC001156905024 1380722940 /nfs/dbraw/zinc/72/29/40/1380722940.db2.gz BKIHRTIJLAIUGQ-UHFFFAOYSA-N 2 1 334.508 3.232 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157108675 1380777149 /nfs/dbraw/zinc/77/71/49/1380777149.db2.gz ABTTWYDQXDEUDI-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001157108675 1380777154 /nfs/dbraw/zinc/77/71/54/1380777154.db2.gz ABTTWYDQXDEUDI-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157119427 1380781066 /nfs/dbraw/zinc/78/10/66/1380781066.db2.gz YROQZDJOYDMXCM-QZTJIDSGSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157119285 1380781170 /nfs/dbraw/zinc/78/11/70/1380781170.db2.gz SMRAGPJAQRTPPC-UYAOXDASSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157132204 1380782898 /nfs/dbraw/zinc/78/28/98/1380782898.db2.gz FLKSACFDAOYNCN-WDJFIJIBSA-N 2 1 345.531 3.472 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157132204 1380782900 /nfs/dbraw/zinc/78/29/00/1380782900.db2.gz FLKSACFDAOYNCN-WDJFIJIBSA-N 2 1 345.531 3.472 20 0 EGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CCCC[C@]23CCC[NH2+]C3)n1 ZINC001157472347 1380922784 /nfs/dbraw/zinc/92/27/84/1380922784.db2.gz XCSDVLNPXVVKQV-LJQANCHMSA-N 2 1 348.922 3.443 20 0 EGADMP C[C@@H]1CCN(C(=O)c2cccc3c2C[N@H+](Cc2ccccc2)C3)C[C@@H]1[NH3+] ZINC001157829904 1381046450 /nfs/dbraw/zinc/04/64/50/1381046450.db2.gz YOOZVDNNPOOIAF-IERDGZPVSA-N 2 1 349.478 3.012 20 0 EGADMP C[C@@H]1CCN(C(=O)c2cccc3c2C[N@@H+](Cc2ccccc2)C3)C[C@@H]1[NH3+] ZINC001157829904 1381046452 /nfs/dbraw/zinc/04/64/52/1381046452.db2.gz YOOZVDNNPOOIAF-IERDGZPVSA-N 2 1 349.478 3.012 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001157893400 1381063288 /nfs/dbraw/zinc/06/32/88/1381063288.db2.gz FFDHKICGTVAKLI-YLZBSDIZSA-N 2 1 343.515 3.059 20 0 EGADMP CCCCC[N@@H+](C)CCC(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158032667 1381108923 /nfs/dbraw/zinc/10/89/23/1381108923.db2.gz WHLJCHDNBNITDO-HXUWFJFHSA-N 2 1 337.552 3.271 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C)cs1 ZINC001328253613 1388699366 /nfs/dbraw/zinc/69/93/66/1388699366.db2.gz BMLFAMXCMVDCPK-RHSMWYFYSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@H](NC(=O)C[N@H+](C)C3CCC3)C[C@H]2C)cs1 ZINC001328253613 1388699369 /nfs/dbraw/zinc/69/93/69/1388699369.db2.gz BMLFAMXCMVDCPK-RHSMWYFYSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@H]2C)cs1 ZINC001328253613 1388699371 /nfs/dbraw/zinc/69/93/71/1388699371.db2.gz BMLFAMXCMVDCPK-RHSMWYFYSA-N 2 1 349.544 3.010 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001158090295 1381126007 /nfs/dbraw/zinc/12/60/07/1381126007.db2.gz SXTSCXUZUVMCCU-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001158090295 1381126011 /nfs/dbraw/zinc/12/60/11/1381126011.db2.gz SXTSCXUZUVMCCU-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001158090295 1381126015 /nfs/dbraw/zinc/12/60/15/1381126015.db2.gz SXTSCXUZUVMCCU-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP CC/C=C/CC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158097781 1381126183 /nfs/dbraw/zinc/12/61/83/1381126183.db2.gz DYFCYIWXAXFGOR-WHLIDYPQSA-N 2 1 335.536 3.093 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186607 1381152463 /nfs/dbraw/zinc/15/24/63/1381152463.db2.gz WRTLEAOMSOBDDA-QGZVFWFLSA-N 2 1 328.460 3.061 20 0 EGADMP CC1(C)C[C@H](Nc2nc(N3CCCCC3)cc[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001158267393 1381178310 /nfs/dbraw/zinc/17/83/10/1381178310.db2.gz WUFYXMBEPUHTFA-KXBFYZLASA-N 2 1 331.508 3.423 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCC2CCCCCC2)CC[N@H+]1C ZINC001158403404 1381231823 /nfs/dbraw/zinc/23/18/23/1381231823.db2.gz HWOYXHDEJNUELY-RBUKOAKNSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158434358 1381244714 /nfs/dbraw/zinc/24/47/14/1381244714.db2.gz IDFDHUWSBOLBIL-LJQANCHMSA-N 2 1 345.531 3.068 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158445706 1381248252 /nfs/dbraw/zinc/24/82/52/1381248252.db2.gz NZKSYDDRSWCHGE-RTBURBONSA-N 2 1 339.568 3.323 20 0 EGADMP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001158541800 1381289464 /nfs/dbraw/zinc/28/94/64/1381289464.db2.gz UTIAPXVSDNGQCS-QGZVFWFLSA-N 2 1 334.508 3.120 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001158541800 1381289472 /nfs/dbraw/zinc/28/94/72/1381289472.db2.gz UTIAPXVSDNGQCS-QGZVFWFLSA-N 2 1 334.508 3.120 20 0 EGADMP C[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC12CCCCC2 ZINC001158703729 1381358827 /nfs/dbraw/zinc/35/88/27/1381358827.db2.gz UPRFXKGEVGQOSC-LJQANCHMSA-N 2 1 347.547 3.260 20 0 EGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(-n3ccc(C[NH3+])c3)c2c1C ZINC001158766654 1381389768 /nfs/dbraw/zinc/38/97/68/1381389768.db2.gz DCOPCNIUTNABIO-UHFFFAOYSA-N 2 1 341.484 3.153 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)[C@@H](C)c1ccccc1 ZINC001158786884 1381398278 /nfs/dbraw/zinc/39/82/78/1381398278.db2.gz JVMFCYBBWSBEQT-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1ccccc1 ZINC001158786884 1381398282 /nfs/dbraw/zinc/39/82/82/1381398282.db2.gz JVMFCYBBWSBEQT-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001158786884 1381398291 /nfs/dbraw/zinc/39/82/91/1381398291.db2.gz JVMFCYBBWSBEQT-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CC[NH+](CC)c1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)cc1 ZINC001159334620 1381767768 /nfs/dbraw/zinc/76/77/68/1381767768.db2.gz ZHOVZWOCZNIBRC-GOSISDBHSA-N 2 1 326.444 3.412 20 0 EGADMP Cc1ccc([C@H](C)Nc2nc(N3CCC([NH3+])CC3)cc[nH+]2)c(C)c1 ZINC001159633280 1381854156 /nfs/dbraw/zinc/85/41/56/1381854156.db2.gz VPONEWSXFNBADD-HNNXBMFYSA-N 2 1 325.460 3.194 20 0 EGADMP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cc(N)[nH+]cn3)[C@H](C)C2)CC[C@@H]1[NH3+] ZINC001159887648 1381929086 /nfs/dbraw/zinc/92/90/86/1381929086.db2.gz UDCMLUFMEWAVQQ-KPLDXPABSA-N 2 1 331.508 3.429 20 0 EGADMP C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cc(N)nc[nH+]3)[C@H](C)C2)CC[C@@H]1[NH3+] ZINC001159887648 1381929089 /nfs/dbraw/zinc/92/90/89/1381929089.db2.gz UDCMLUFMEWAVQQ-KPLDXPABSA-N 2 1 331.508 3.429 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001159910693 1381934566 /nfs/dbraw/zinc/93/45/66/1381934566.db2.gz SYFWAAWSMYFHCZ-LJQANCHMSA-N 2 1 335.536 3.236 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120857 1382002659 /nfs/dbraw/zinc/00/26/59/1382002659.db2.gz SNOMMXCMNAXUOK-LJQANCHMSA-N 2 1 335.536 3.188 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160120857 1382002664 /nfs/dbraw/zinc/00/26/64/1382002664.db2.gz SNOMMXCMNAXUOK-LJQANCHMSA-N 2 1 335.536 3.188 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160120857 1382002669 /nfs/dbraw/zinc/00/26/69/1382002669.db2.gz SNOMMXCMNAXUOK-LJQANCHMSA-N 2 1 335.536 3.188 20 0 EGADMP Fc1cccc(Nc2cc[nH+]cc2C(F)(F)F)c1O[C@@H]1CC[NH2+]C1 ZINC001160184687 1382027479 /nfs/dbraw/zinc/02/74/79/1382027479.db2.gz LUCCZQPWYQEROY-SNVBAGLBSA-N 2 1 341.308 3.146 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001160274223 1382057913 /nfs/dbraw/zinc/05/79/13/1382057913.db2.gz RIMZRDBIDGZZKH-AZUAARDMSA-N 2 1 343.515 3.034 20 0 EGADMP CCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001160352752 1382081404 /nfs/dbraw/zinc/08/14/04/1382081404.db2.gz LBTRRLIBQYWSIU-SFHVURJKSA-N 2 1 344.503 3.089 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001160352752 1382081410 /nfs/dbraw/zinc/08/14/10/1382081410.db2.gz LBTRRLIBQYWSIU-SFHVURJKSA-N 2 1 344.503 3.089 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160399999 1382094818 /nfs/dbraw/zinc/09/48/18/1382094818.db2.gz IXIDVXCEHKSIPD-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001160399999 1382094821 /nfs/dbraw/zinc/09/48/21/1382094821.db2.gz IXIDVXCEHKSIPD-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001160399999 1382094825 /nfs/dbraw/zinc/09/48/25/1382094825.db2.gz IXIDVXCEHKSIPD-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CC[C@H](C(=O)NCCC1=CC[N@H+]([C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001160479429 1382119339 /nfs/dbraw/zinc/11/93/39/1382119339.db2.gz VEEVWPKMFKOFQR-YLJYHZDGSA-N 2 1 343.515 3.226 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160491278 1382120515 /nfs/dbraw/zinc/12/05/15/1382120515.db2.gz AINOTDWLEWKHKF-SFHVURJKSA-N 2 1 347.547 3.047 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160501273 1382125750 /nfs/dbraw/zinc/12/57/50/1382125750.db2.gz ZOQYHYRIHZJMTF-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001160501273 1382125756 /nfs/dbraw/zinc/12/57/56/1382125756.db2.gz ZOQYHYRIHZJMTF-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001160501273 1382125761 /nfs/dbraw/zinc/12/57/61/1382125761.db2.gz ZOQYHYRIHZJMTF-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160592745 1382149468 /nfs/dbraw/zinc/14/94/68/1382149468.db2.gz BYBIGRNPOZTHQK-ONEGZZNKSA-N 2 1 345.531 3.110 20 0 EGADMP COc1ccc2cc[nH+]c(N[C@@H]3CC[NH2+]C[C@H]3C(F)(F)F)c2c1 ZINC001160738143 1382182513 /nfs/dbraw/zinc/18/25/13/1382182513.db2.gz JMMCFEARCZTRKL-ZIAGYGMSSA-N 2 1 325.334 3.196 20 0 EGADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(NC/C=C/C[NH3+])c2c1C ZINC001160982099 1382260779 /nfs/dbraw/zinc/26/07/79/1382260779.db2.gz DKKKSUXAWUGLSG-SNAWJCMRSA-N 2 1 345.516 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC2=CC[NH+](CC3CCC3)CC2)C1 ZINC001160985424 1382261427 /nfs/dbraw/zinc/26/14/27/1382261427.db2.gz AARPWLJRJMBBTH-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC2=CC[N@H+](CC3CCC3)CC2)C1 ZINC001160985424 1382261431 /nfs/dbraw/zinc/26/14/31/1382261431.db2.gz AARPWLJRJMBBTH-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC2=CC[N@@H+](CC3CCC3)CC2)C1 ZINC001160985424 1382261434 /nfs/dbraw/zinc/26/14/34/1382261434.db2.gz AARPWLJRJMBBTH-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161029042 1382276701 /nfs/dbraw/zinc/27/67/01/1382276701.db2.gz KPYMAYLXXAPOHR-SFHVURJKSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001161042160 1382279994 /nfs/dbraw/zinc/27/99/94/1382279994.db2.gz PDGXQIOWPHRWFL-FXAWDEMLSA-N 2 1 345.531 3.451 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C(=O)N2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC001293540001 1382297478 /nfs/dbraw/zinc/29/74/78/1382297478.db2.gz HBTZLMVBRNMISL-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC001293540001 1382297483 /nfs/dbraw/zinc/29/74/83/1382297483.db2.gz HBTZLMVBRNMISL-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC001293540001 1382297486 /nfs/dbraw/zinc/29/74/86/1382297486.db2.gz HBTZLMVBRNMISL-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161102138 1382297670 /nfs/dbraw/zinc/29/76/70/1382297670.db2.gz VBUAGNCTGHTYDF-GOSISDBHSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001161208055 1382341619 /nfs/dbraw/zinc/34/16/19/1382341619.db2.gz YXHCHXXBQYYNSM-RBUKOAKNSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001161208055 1382341626 /nfs/dbraw/zinc/34/16/26/1382341626.db2.gz YXHCHXXBQYYNSM-RBUKOAKNSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001161208055 1382341634 /nfs/dbraw/zinc/34/16/34/1382341634.db2.gz YXHCHXXBQYYNSM-RBUKOAKNSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001161207485 1382342008 /nfs/dbraw/zinc/34/20/08/1382342008.db2.gz UQWWJVJBCQXVBC-GOSISDBHSA-N 2 1 335.536 3.047 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001161207485 1382342012 /nfs/dbraw/zinc/34/20/12/1382342012.db2.gz UQWWJVJBCQXVBC-GOSISDBHSA-N 2 1 335.536 3.047 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001161207485 1382342018 /nfs/dbraw/zinc/34/20/18/1382342018.db2.gz UQWWJVJBCQXVBC-GOSISDBHSA-N 2 1 335.536 3.047 20 0 EGADMP CCc1nc(NCC2CC[NH+](Cc3ccccn3)CC2)cc(C)[nH+]1 ZINC001161246694 1382354301 /nfs/dbraw/zinc/35/43/01/1382354301.db2.gz XZASSQDPSAHTKV-UHFFFAOYSA-N 2 1 325.460 3.067 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1)C(C)C ZINC001161490893 1382420911 /nfs/dbraw/zinc/42/09/11/1382420911.db2.gz ALNLMHCMVVPWCF-FQEVSTJZSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC1=CC[NH+](CC2CCC2)CC1 ZINC001161497384 1382423782 /nfs/dbraw/zinc/42/37/82/1382423782.db2.gz YXTHYUSDGPJXMJ-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NCCC1=CC[N@H+](CC2CCC2)CC1 ZINC001161497384 1382423785 /nfs/dbraw/zinc/42/37/85/1382423785.db2.gz YXTHYUSDGPJXMJ-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001161497384 1382423790 /nfs/dbraw/zinc/42/37/90/1382423790.db2.gz YXTHYUSDGPJXMJ-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161622804 1382463086 /nfs/dbraw/zinc/46/30/86/1382463086.db2.gz UCJLLLDXORRRJM-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001161649489 1382470054 /nfs/dbraw/zinc/47/00/54/1382470054.db2.gz JUEWTLXIJNDUBC-QUCCMNQESA-N 2 1 345.531 3.272 20 0 EGADMP C[NH+](C)CCCCC(=O)NCCC1=CC[N@@H+](Cc2ccsc2)CC1 ZINC001161733646 1382491798 /nfs/dbraw/zinc/49/17/98/1382491798.db2.gz HGZKFDHHKOFLAS-UHFFFAOYSA-N 2 1 349.544 3.118 20 0 EGADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001162454922 1382761015 /nfs/dbraw/zinc/76/10/15/1382761015.db2.gz BLXSLURWZMRBTG-KGLIPLIRSA-N 2 1 334.464 3.476 20 0 EGADMP C[N@@H+](Cc1ccc(N2CC[NH+](C)C[C@H]2c2ccccc2)nc1)C1CC1 ZINC001163674209 1383102475 /nfs/dbraw/zinc/10/24/75/1383102475.db2.gz JRICJHFTGIGYLA-FQEVSTJZSA-N 2 1 336.483 3.169 20 0 EGADMP C[NH+](Cc1ccc(N2CC[N@H+](C)C[C@H]2c2ccccc2)nc1)C1CC1 ZINC001163674209 1383102476 /nfs/dbraw/zinc/10/24/76/1383102476.db2.gz JRICJHFTGIGYLA-FQEVSTJZSA-N 2 1 336.483 3.169 20 0 EGADMP C[NH+](Cc1ccc(N2CC[N@@H+](C)C[C@H]2c2ccccc2)nc1)C1CC1 ZINC001163674209 1383102478 /nfs/dbraw/zinc/10/24/78/1383102478.db2.gz JRICJHFTGIGYLA-FQEVSTJZSA-N 2 1 336.483 3.169 20 0 EGADMP CC(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001328736276 1388833653 /nfs/dbraw/zinc/83/36/53/1388833653.db2.gz ILJQUUKRUVJWRN-MRXNPFEDSA-N 2 1 337.533 3.002 20 0 EGADMP COc1cc(F)c(C(C)C)cc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164213095 1383166653 /nfs/dbraw/zinc/16/66/53/1383166653.db2.gz NZEYLLNVKMUYRG-UHFFFAOYSA-N 2 1 337.483 3.396 20 0 EGADMP COc1ccc(NCC2([NH+](C)C)CC[NH+](C)CC2)c2ccccc12 ZINC001164213577 1383166767 /nfs/dbraw/zinc/16/67/67/1383166767.db2.gz XAVAHWBHTZOJSH-UHFFFAOYSA-N 2 1 327.472 3.286 20 0 EGADMP [NH3+][C@H]1CN(c2[nH+]ccc3c2ccn3Cc2ccccc2)CCC1(F)F ZINC001164324444 1383177825 /nfs/dbraw/zinc/17/78/25/1383177825.db2.gz STIGTNMVCOWEDO-KRWDZBQOSA-N 2 1 342.393 3.257 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001164456374 1383188712 /nfs/dbraw/zinc/18/87/12/1383188712.db2.gz QQMGQDIONIJQSH-AZUAARDMSA-N 2 1 345.531 3.274 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@@H](CC)c2ccccc2)C1 ZINC001164456768 1383188780 /nfs/dbraw/zinc/18/87/80/1383188780.db2.gz ZEJPRFBTZHSAHU-PMACEKPBSA-N 2 1 345.531 3.356 20 0 EGADMP O=C(NCCC[NH2+]CCCCCF)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164500973 1383193904 /nfs/dbraw/zinc/19/39/04/1383193904.db2.gz MNNCIKIOMKQCBF-GOSISDBHSA-N 2 1 341.515 3.019 20 0 EGADMP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164514274 1383195276 /nfs/dbraw/zinc/19/52/76/1383195276.db2.gz NZULCAOQBRVZNL-GHOSXJJBSA-N 2 1 349.563 3.482 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001164514841 1383195398 /nfs/dbraw/zinc/19/53/98/1383195398.db2.gz UIWIDWSYRCBNHU-IBGZPJMESA-N 2 1 347.547 3.236 20 0 EGADMP CCCC[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001164578474 1383201452 /nfs/dbraw/zinc/20/14/52/1383201452.db2.gz BOJXLALTQKUROU-MRXNPFEDSA-N 2 1 334.508 3.073 20 0 EGADMP C[N@@H+](Cc1ccc(N2CCC(C3CC[NH+](C)CC3)CC2)nc1)C1CC1 ZINC001165066941 1383220954 /nfs/dbraw/zinc/22/09/54/1383220954.db2.gz HRBKLZHHLYWZIM-UHFFFAOYSA-N 2 1 342.531 3.234 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(CC)CC)CC1 ZINC001165333183 1383275338 /nfs/dbraw/zinc/27/53/38/1383275338.db2.gz NYXHABPIMQISII-SFHVURJKSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CCCC(C)C)CC1 ZINC001165334659 1383275887 /nfs/dbraw/zinc/27/58/87/1383275887.db2.gz ZNCIHNLXHNAYMY-GOSISDBHSA-N 2 1 337.552 3.173 20 0 EGADMP CC[C@H](C)C[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165472236 1383300494 /nfs/dbraw/zinc/30/04/94/1383300494.db2.gz IFMIKFZOOQZLNJ-ZWKOTPCHSA-N 2 1 337.552 3.172 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001165567979 1383310890 /nfs/dbraw/zinc/31/08/90/1383310890.db2.gz CUXASDMBJUGZRW-WRFKIARRSA-N 2 1 335.536 3.093 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001165569366 1383311952 /nfs/dbraw/zinc/31/19/52/1383311952.db2.gz XTHPWPJGYOXEML-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001165763527 1383341315 /nfs/dbraw/zinc/34/13/15/1383341315.db2.gz AKOWKZXQUXTFOD-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP c1nc(C[NH2+]C2CCC2)c2n1CCCN(c1cc(C3CC3)cc[nH+]1)C2 ZINC001165911195 1383363100 /nfs/dbraw/zinc/36/31/00/1383363100.db2.gz QDXODPMGYACYJV-UHFFFAOYSA-N 2 1 337.471 3.208 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165926799 1383366038 /nfs/dbraw/zinc/36/60/38/1383366038.db2.gz DOHKOBIMYAAAGQ-SFHVURJKSA-N 2 1 337.552 3.173 20 0 EGADMP CCC/C=C/CC[NH2+]CCCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001166751897 1383471576 /nfs/dbraw/zinc/47/15/76/1383471576.db2.gz ZDZCWBFRIWQEGI-AATRIKPKSA-N 2 1 345.531 3.003 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)nn1 ZINC001166888815 1383494688 /nfs/dbraw/zinc/49/46/88/1383494688.db2.gz KWNCICRKKIBGMQ-GOSISDBHSA-N 2 1 348.454 3.220 20 0 EGADMP C[C@H]([NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1)c1ccccc1 ZINC001167224455 1383570071 /nfs/dbraw/zinc/57/00/71/1383570071.db2.gz KPTJKOGLQMQNED-MSOLQXFVSA-N 2 1 343.515 3.108 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001167225451 1383570717 /nfs/dbraw/zinc/57/07/17/1383570717.db2.gz WETIISATAZXEQL-GOSISDBHSA-N 2 1 349.563 3.317 20 0 EGADMP C[C@H](C(=O)N[C@]1(C)CC[NH+](Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001300205943 1383651806 /nfs/dbraw/zinc/65/18/06/1383651806.db2.gz BFPXEVVLKZQSIC-BMQTXXJKSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001300205943 1383651808 /nfs/dbraw/zinc/65/18/08/1383651808.db2.gz BFPXEVVLKZQSIC-BMQTXXJKSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001300205943 1383651809 /nfs/dbraw/zinc/65/18/09/1383651809.db2.gz BFPXEVVLKZQSIC-BMQTXXJKSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001167626513 1383692592 /nfs/dbraw/zinc/69/25/92/1383692592.db2.gz CSZBIOPSVANGPR-WOJBJXKFSA-N 2 1 343.515 3.033 20 0 EGADMP Cc1cc(CNc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)nn1C ZINC001167765382 1383735215 /nfs/dbraw/zinc/73/52/15/1383735215.db2.gz HYOPGOWFLKLHJS-QGZVFWFLSA-N 2 1 338.459 3.005 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@]2(C[C@@H](CCOC)CO2)C1 ZINC001167823498 1383749753 /nfs/dbraw/zinc/74/97/53/1383749753.db2.gz LLUSVLSOFIUGMA-ZCNNSNEGSA-N 2 1 340.552 3.405 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](Oc2ncccc2OC)C1 ZINC001167834172 1383753335 /nfs/dbraw/zinc/75/33/35/1383753335.db2.gz IMWIVAXDHLCTAI-ZWKOTPCHSA-N 2 1 349.519 3.444 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN2CCc3ccccc3[C@H]2C1 ZINC001167842914 1383757242 /nfs/dbraw/zinc/75/72/42/1383757242.db2.gz ZPEVLBNXQMEFIS-WIYYLYMNSA-N 2 1 329.532 3.412 20 0 EGADMP COC(=O)c1ccc(C[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001167918991 1383769777 /nfs/dbraw/zinc/76/97/77/1383769777.db2.gz PSVVNMZIUCDSDT-YCKXBTPASA-N 2 1 342.483 3.344 20 0 EGADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167968909 1383782766 /nfs/dbraw/zinc/78/27/66/1383782766.db2.gz WRFOPVHEDVMTQQ-GSWHEVMTSA-N 2 1 334.504 3.103 20 0 EGADMP Cc1ccnc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167978212 1383784715 /nfs/dbraw/zinc/78/47/15/1383784715.db2.gz MJVOTEKEXQUSRN-YQQQUEKLSA-N 2 1 325.500 3.417 20 0 EGADMP C[N@H+]1CCCC[C@@H]1c1ccc(N(C(N)=[NH2+])c2ccc(F)cc2)nc1 ZINC001167991035 1383789348 /nfs/dbraw/zinc/78/93/48/1383789348.db2.gz FFSQKKSZHMDATI-MRXNPFEDSA-N 2 1 327.407 3.409 20 0 EGADMP CCc1nnc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)o1 ZINC001167995299 1383792224 /nfs/dbraw/zinc/79/22/24/1383792224.db2.gz ZNXRUZAMULNJOL-JWTNVVGKSA-N 2 1 344.503 3.217 20 0 EGADMP CCc1nnc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)o1 ZINC001167995299 1383792227 /nfs/dbraw/zinc/79/22/27/1383792227.db2.gz ZNXRUZAMULNJOL-JWTNVVGKSA-N 2 1 344.503 3.217 20 0 EGADMP C[C@H]1CC([NH2+]C2(C(=O)N(C)C)CCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168033297 1383801495 /nfs/dbraw/zinc/80/14/95/1383801495.db2.gz KQFKJORREIMOPD-IRXDYDNUSA-N 2 1 343.515 3.029 20 0 EGADMP COC(=O)C[C@H]1CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057705 1383805182 /nfs/dbraw/zinc/80/51/82/1383805182.db2.gz NMPSRHWCRPHDFS-JENIJYKNSA-N 2 1 344.499 3.313 20 0 EGADMP COC(=O)C[C@@H]1CCC[N@@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168059931 1383807591 /nfs/dbraw/zinc/80/75/91/1383807591.db2.gz HMFBCXUTHKXLLU-HNJRGHQBSA-N 2 1 344.499 3.456 20 0 EGADMP COC(=O)C[C@@H]1CCC[N@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168059931 1383807595 /nfs/dbraw/zinc/80/75/95/1383807595.db2.gz HMFBCXUTHKXLLU-HNJRGHQBSA-N 2 1 344.499 3.456 20 0 EGADMP COC(=O)C[C@@H]1CCC[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168059931 1383807599 /nfs/dbraw/zinc/80/75/99/1383807599.db2.gz HMFBCXUTHKXLLU-HNJRGHQBSA-N 2 1 344.499 3.456 20 0 EGADMP COC(=O)C[C@@H]1CCC[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168059931 1383807603 /nfs/dbraw/zinc/80/76/03/1383807603.db2.gz HMFBCXUTHKXLLU-HNJRGHQBSA-N 2 1 344.499 3.456 20 0 EGADMP C[C@@H]1C[C@@H](N2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168064222 1383808303 /nfs/dbraw/zinc/80/83/03/1383808303.db2.gz OYZWTCHJWFLZEE-UJZAFDIWSA-N 2 1 327.516 3.206 20 0 EGADMP C[C@@H]1C[C@@H](N2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064222 1383808305 /nfs/dbraw/zinc/80/83/05/1383808305.db2.gz OYZWTCHJWFLZEE-UJZAFDIWSA-N 2 1 327.516 3.206 20 0 EGADMP C[C@@H]1C[C@@H](N2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064222 1383808308 /nfs/dbraw/zinc/80/83/08/1383808308.db2.gz OYZWTCHJWFLZEE-UJZAFDIWSA-N 2 1 327.516 3.206 20 0 EGADMP CCOC(=O)CC[N@@H+](C)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168064716 1383808790 /nfs/dbraw/zinc/80/87/90/1383808790.db2.gz RLQOZKVXLPGESE-IRXDYDNUSA-N 2 1 332.488 3.313 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168291489 1383865145 /nfs/dbraw/zinc/86/51/45/1383865145.db2.gz YYPRUAYKPLWGBE-SPCWZHTESA-N 2 1 335.536 3.092 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001168290834 1383865506 /nfs/dbraw/zinc/86/55/06/1383865506.db2.gz KILCPEMUBKQWSR-CALCHBBNSA-N 2 1 349.563 3.172 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001168315556 1383871588 /nfs/dbraw/zinc/87/15/88/1383871588.db2.gz YTLJJVUMSQYVSJ-MHJFOBGBSA-N 2 1 344.499 3.457 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001168328941 1383874104 /nfs/dbraw/zinc/87/41/04/1383874104.db2.gz MMKFRTCXDUYBRR-QINBWVTOSA-N 3 1 341.543 3.313 20 0 EGADMP C[NH+](C)C1CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001168328941 1383874106 /nfs/dbraw/zinc/87/41/06/1383874106.db2.gz MMKFRTCXDUYBRR-QINBWVTOSA-N 3 1 341.543 3.313 20 0 EGADMP C[NH+](C)C1CCC([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001168328941 1383874109 /nfs/dbraw/zinc/87/41/09/1383874109.db2.gz MMKFRTCXDUYBRR-QINBWVTOSA-N 3 1 341.543 3.313 20 0 EGADMP C[NH+](C)C1CCC(N2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001168328941 1383874112 /nfs/dbraw/zinc/87/41/12/1383874112.db2.gz MMKFRTCXDUYBRR-QINBWVTOSA-N 2 1 341.543 3.313 20 0 EGADMP C[NH+](C)C1CCC(N2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001168328941 1383874114 /nfs/dbraw/zinc/87/41/14/1383874114.db2.gz MMKFRTCXDUYBRR-QINBWVTOSA-N 2 1 341.543 3.313 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168369045 1383885529 /nfs/dbraw/zinc/88/55/29/1383885529.db2.gz UJAZNZXVIKDKSM-KESTWPANSA-N 2 1 342.531 3.028 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccn2)C2CCN(CC3CC3)CC2)CC1 ZINC001168369045 1383885532 /nfs/dbraw/zinc/88/55/32/1383885532.db2.gz UJAZNZXVIKDKSM-KESTWPANSA-N 2 1 342.531 3.028 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)C2CCN(CC3CC3)CC2)CC1 ZINC001168369045 1383885535 /nfs/dbraw/zinc/88/55/35/1383885535.db2.gz UJAZNZXVIKDKSM-KESTWPANSA-N 2 1 342.531 3.028 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]C[C@@H](C)CC(C)C ZINC001168596463 1383944625 /nfs/dbraw/zinc/94/46/25/1383944625.db2.gz WWLVRFZWODMPGX-SFHVURJKSA-N 2 1 327.557 3.277 20 0 EGADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCO[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001168662979 1383962832 /nfs/dbraw/zinc/96/28/32/1383962832.db2.gz QVDXVFSXQDMSGT-AZUAARDMSA-N 2 1 332.488 3.331 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCO[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001168662979 1383962838 /nfs/dbraw/zinc/96/28/38/1383962838.db2.gz QVDXVFSXQDMSGT-AZUAARDMSA-N 2 1 332.488 3.331 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC001307421524 1383987577 /nfs/dbraw/zinc/98/75/77/1383987577.db2.gz UDRXJWMOGANAEC-MOPGFXCFSA-N 2 1 338.536 3.410 20 0 EGADMP CC(C)[N@@H+]([C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168832174 1384024675 /nfs/dbraw/zinc/02/46/75/1384024675.db2.gz CWJMHKMLRJPCQB-QBPKDAKJSA-N 2 1 339.524 3.365 20 0 EGADMP CC[NH+](CC)CCC[N@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001308068877 1384084721 /nfs/dbraw/zinc/08/47/21/1384084721.db2.gz RMYBBZNPOVFNIC-INIZCTEOSA-N 2 1 327.513 3.050 20 0 EGADMP CC[NH+](CC)CCC[N@@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001308068877 1384084725 /nfs/dbraw/zinc/08/47/25/1384084725.db2.gz RMYBBZNPOVFNIC-INIZCTEOSA-N 2 1 327.513 3.050 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc(OC(=O)C(C)(C)C)cc1)C2 ZINC001169081735 1384104080 /nfs/dbraw/zinc/10/40/80/1384104080.db2.gz VORAEONOLUUBLE-BCDXTJNWSA-N 2 1 344.499 3.395 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C[C@H]1C ZINC001308182878 1384106684 /nfs/dbraw/zinc/10/66/84/1384106684.db2.gz YQWSFRUEEYSIDJ-BDXSIMOUSA-N 2 1 335.561 3.451 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Br ZINC001169108990 1384108102 /nfs/dbraw/zinc/10/81/02/1384108102.db2.gz XNNHVKQZAZGMQV-ZSOGYDGISA-N 2 1 339.277 3.173 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Br ZINC001169108990 1384108107 /nfs/dbraw/zinc/10/81/07/1384108107.db2.gz XNNHVKQZAZGMQV-ZSOGYDGISA-N 2 1 339.277 3.173 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH3+])(c3cccc(Cl)c3)CC1)C2 ZINC001169115293 1384109292 /nfs/dbraw/zinc/10/92/92/1384109292.db2.gz IFOMFLGEAARLPP-PIIMJCKOSA-N 2 1 333.907 3.215 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C3CCCCC3)CC1)C2 ZINC001169118040 1384109301 /nfs/dbraw/zinc/10/93/01/1384109301.db2.gz CGWPLHBYMDCROZ-DHUDUYKCSA-N 2 1 347.547 3.209 20 0 EGADMP C[N@@H+](Cc1cccc(F)c1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169155643 1384116154 /nfs/dbraw/zinc/11/61/54/1384116154.db2.gz UCICIMBNFBIGMZ-WKCHPHFGSA-N 2 1 345.506 3.347 20 0 EGADMP C[NH+](Cc1cccc(F)c1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169155643 1384116156 /nfs/dbraw/zinc/11/61/56/1384116156.db2.gz UCICIMBNFBIGMZ-WKCHPHFGSA-N 2 1 345.506 3.347 20 0 EGADMP C[NH+](Cc1cccc(F)c1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169155643 1384116159 /nfs/dbraw/zinc/11/61/59/1384116159.db2.gz UCICIMBNFBIGMZ-WKCHPHFGSA-N 2 1 345.506 3.347 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CCc4ccccc4O3)CC1)C2 ZINC001169156743 1384116789 /nfs/dbraw/zinc/11/67/89/1384116789.db2.gz ZWFCDIMLNOCSNE-BWTSREIZSA-N 2 1 326.484 3.471 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@@H]3C[C@H]1CN3c1ccccc1Cl)C2 ZINC001169160398 1384117427 /nfs/dbraw/zinc/11/74/27/1384117427.db2.gz DMYXKBKRJRJQJK-BIVLZKPYSA-N 2 1 331.891 3.228 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3C[C@H]1CN3c1ccccc1Cl)C2 ZINC001169160398 1384117429 /nfs/dbraw/zinc/11/74/29/1384117429.db2.gz DMYXKBKRJRJQJK-BIVLZKPYSA-N 2 1 331.891 3.228 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@@H]3C[C@H]1CN3c1ccccc1Cl)C2 ZINC001169160398 1384117434 /nfs/dbraw/zinc/11/74/34/1384117434.db2.gz DMYXKBKRJRJQJK-BIVLZKPYSA-N 2 1 331.891 3.228 20 0 EGADMP CC[NH+]1CCC([NH2+]C2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC001169238419 1384126214 /nfs/dbraw/zinc/12/62/14/1384126214.db2.gz HXMIUQZJBJBXGO-UHFFFAOYSA-N 2 1 335.923 3.378 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(COc3ccccc3OC)CC2)CC1 ZINC001169261640 1384129017 /nfs/dbraw/zinc/12/90/17/1384129017.db2.gz JVXJPIOPSWRPMB-UHFFFAOYSA-N 2 1 332.488 3.270 20 0 EGADMP CC[NH+]1CCC([N@@H+]2CCCC[C@H]2c2ccc(C(=O)OC)cc2)CC1 ZINC001169267883 1384129967 /nfs/dbraw/zinc/12/99/67/1384129967.db2.gz AWTQFRUBTGNMAU-IBGZPJMESA-N 2 1 330.472 3.485 20 0 EGADMP CC[NH+]1CCC([N@H+]2CCCC[C@H]2c2ccc(C(=O)OC)cc2)CC1 ZINC001169267883 1384129973 /nfs/dbraw/zinc/12/99/73/1384129973.db2.gz AWTQFRUBTGNMAU-IBGZPJMESA-N 2 1 330.472 3.485 20 0 EGADMP C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001308682994 1384142173 /nfs/dbraw/zinc/14/21/73/1384142173.db2.gz JXIIJZYZFITMIY-IIBYNOLFSA-N 2 1 342.458 3.113 20 0 EGADMP COC(=O)Cc1cc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)cc[nH+]1 ZINC001169690982 1384174336 /nfs/dbraw/zinc/17/43/36/1384174336.db2.gz OEDARNOULICZSN-QGZVFWFLSA-N 2 1 325.412 3.037 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169808731 1384187628 /nfs/dbraw/zinc/18/76/28/1384187628.db2.gz DLBCNIACSXGYCX-HKUYNNGSSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169809581 1384187763 /nfs/dbraw/zinc/18/77/63/1384187763.db2.gz JBFCZBMKQSEXMU-PKOBYXMFSA-N 2 1 337.552 3.316 20 0 EGADMP C[N@@H+](C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169966772 1384206807 /nfs/dbraw/zinc/20/68/07/1384206807.db2.gz WFJUPBHRNJUYEQ-LJQANCHMSA-N 2 1 336.520 3.401 20 0 EGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC001170239351 1384273632 /nfs/dbraw/zinc/27/36/32/1384273632.db2.gz MKGJCBVVEZXZJV-DOIPELPJSA-N 2 1 328.500 3.398 20 0 EGADMP CC[C@@H]1C[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC001170239351 1384273635 /nfs/dbraw/zinc/27/36/35/1384273635.db2.gz MKGJCBVVEZXZJV-DOIPELPJSA-N 2 1 328.500 3.398 20 0 EGADMP CC[C@@H]1C[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC001170239351 1384273638 /nfs/dbraw/zinc/27/36/38/1384273638.db2.gz MKGJCBVVEZXZJV-DOIPELPJSA-N 2 1 328.500 3.398 20 0 EGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001170449470 1384321631 /nfs/dbraw/zinc/32/16/31/1384321631.db2.gz NONUNELESNTSCG-QGZVFWFLSA-N 2 1 330.472 3.154 20 0 EGADMP Cc1[nH+]ccn1-c1cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)ncn1 ZINC001170454515 1384323494 /nfs/dbraw/zinc/32/34/94/1384323494.db2.gz VSQJZCRGBJIYPO-UHFFFAOYSA-N 2 1 328.464 3.034 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCC1CCC1 ZINC001170785967 1384385428 /nfs/dbraw/zinc/38/54/28/1384385428.db2.gz XPJIXYSKJBZRDO-LJQANCHMSA-N 2 1 337.552 3.317 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861694 1384400914 /nfs/dbraw/zinc/40/09/14/1384400914.db2.gz GDSJPEBEVTVWQR-RCCFBDPRSA-N 2 1 325.541 3.027 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC(C)(C)C)CC[N@H+]1C ZINC001170872707 1384402584 /nfs/dbraw/zinc/40/25/84/1384402584.db2.gz YWJSLOKVKHWQDR-FGTMMUONSA-N 2 1 339.568 3.418 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCCCF ZINC001171120522 1384449850 /nfs/dbraw/zinc/44/98/50/1384449850.db2.gz NRHPFZCZEMMCEW-ROUUACIJSA-N 2 1 343.531 3.265 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171248235 1384478053 /nfs/dbraw/zinc/47/80/53/1384478053.db2.gz RAUDWGJYMJRSKU-FUHWJXTLSA-N 2 1 348.535 3.461 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001316616428 1384483766 /nfs/dbraw/zinc/48/37/66/1384483766.db2.gz MUOBSCNYMFZWJQ-LMMKCTJWSA-N 2 1 343.515 3.025 20 0 EGADMP COc1ccc(Cl)c2c1C[C@@H]([N@H+]1C[C@H]3CC[NH+](C)C[C@H]3C1)CC2 ZINC001171310379 1384491812 /nfs/dbraw/zinc/49/18/12/1384491812.db2.gz JPEQGPPMECYUBK-ILXRZTDVSA-N 2 1 334.891 3.089 20 0 EGADMP COc1ccc(Cl)c2c1C[C@@H]([NH+]1C[C@H]3CC[N@H+](C)C[C@H]3C1)CC2 ZINC001171310379 1384491816 /nfs/dbraw/zinc/49/18/16/1384491816.db2.gz JPEQGPPMECYUBK-ILXRZTDVSA-N 2 1 334.891 3.089 20 0 EGADMP COc1ccc(Cl)c2c1C[C@@H]([NH+]1C[C@H]3CC[N@@H+](C)C[C@H]3C1)CC2 ZINC001171310379 1384491820 /nfs/dbraw/zinc/49/18/20/1384491820.db2.gz JPEQGPPMECYUBK-ILXRZTDVSA-N 2 1 334.891 3.089 20 0 EGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1C[C@H]3C[C@@]3(C[NH+](C)C)C1)CC2 ZINC001171326295 1384495219 /nfs/dbraw/zinc/49/52/19/1384495219.db2.gz NAWWCUNBQYBFNH-PJIJBLCYSA-N 2 1 334.891 3.089 20 0 EGADMP C[C@@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171537785 1384555391 /nfs/dbraw/zinc/55/53/91/1384555391.db2.gz HJNHPMIBQKQJQE-QFBILLFUSA-N 2 1 349.494 3.075 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C(C)(C)C[NH3+])C[C@@H]1C(C)(C)C ZINC001171585905 1384572712 /nfs/dbraw/zinc/57/27/12/1384572712.db2.gz NUHYQHSJVGWVNZ-ZIAGYGMSSA-N 2 1 327.513 3.128 20 0 EGADMP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1(C)C ZINC001171620153 1384582359 /nfs/dbraw/zinc/58/23/59/1384582359.db2.gz VMTZLWCBJGRAGY-QGZVFWFLSA-N 2 1 343.515 3.029 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)CC1(C)C ZINC001171630813 1384586660 /nfs/dbraw/zinc/58/66/60/1384586660.db2.gz CKQYKMYCVHBSSW-INIZCTEOSA-N 2 1 336.442 3.417 20 0 EGADMP CC(C)CC(=O)N1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171642454 1384590443 /nfs/dbraw/zinc/59/04/43/1384590443.db2.gz KDSPJGRPSKTTOX-UHFFFAOYSA-N 2 1 337.552 3.218 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001171726049 1384614842 /nfs/dbraw/zinc/61/48/42/1384614842.db2.gz UVOPUKJUDDOEGG-LJQANCHMSA-N 2 1 349.494 3.031 20 0 EGADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC001171732434 1384617977 /nfs/dbraw/zinc/61/79/77/1384617977.db2.gz AINPHKQRZLKPOK-MLZLACJZSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171732434 1384617980 /nfs/dbraw/zinc/61/79/80/1384617980.db2.gz AINPHKQRZLKPOK-MLZLACJZSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171732434 1384617985 /nfs/dbraw/zinc/61/79/85/1384617985.db2.gz AINPHKQRZLKPOK-MLZLACJZSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@H](NC2CC[NH+](CC3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171732589 1384618527 /nfs/dbraw/zinc/61/85/27/1384618527.db2.gz CRIWNUFLTWMIHM-UTKZUKDTSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H]1C[C@H](N2Cc3ccccc3C[C@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171741410 1384621678 /nfs/dbraw/zinc/62/16/78/1384621678.db2.gz PDIKGUOEDJVTHO-HSQYWUDLSA-N 2 1 335.495 3.035 20 0 EGADMP C[C@H]1C[C@@H](N2CC[NH+](C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171755012 1384625593 /nfs/dbraw/zinc/62/55/93/1384625593.db2.gz LCGGDRWKCNWTQW-GHTZIAJQSA-N 2 1 327.516 3.210 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)CN1Cc1ccccc1 ZINC001171759034 1384626802 /nfs/dbraw/zinc/62/68/02/1384626802.db2.gz FTHFAFXTFZPLPT-UYAOXDASSA-N 2 1 327.516 3.067 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCCC[NH2+]CCC1CCCCC1 ZINC001171817393 1384649504 /nfs/dbraw/zinc/64/95/04/1384649504.db2.gz VKWMBEQQLNHBDH-KRWDZBQOSA-N 2 1 348.535 3.427 20 0 EGADMP CC[C@@H]1C[C@H]([NH2+]C2(C[NH3+])CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171819067 1384650487 /nfs/dbraw/zinc/65/04/87/1384650487.db2.gz NPJBWGHYIDUWQL-QDMKHBRRSA-N 2 1 325.497 3.024 20 0 EGADMP Cc1nn(C)cc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171969628 1384698239 /nfs/dbraw/zinc/69/82/39/1384698239.db2.gz VTUUJHVBIZHXOZ-IBGZPJMESA-N 2 1 326.488 3.261 20 0 EGADMP Cc1nn(C)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171969628 1384698245 /nfs/dbraw/zinc/69/82/45/1384698245.db2.gz VTUUJHVBIZHXOZ-IBGZPJMESA-N 2 1 326.488 3.261 20 0 EGADMP CC1(C)C[C@H]([NH2+]Cc2ccc(=O)[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC001171972503 1384699511 /nfs/dbraw/zinc/69/95/11/1384699511.db2.gz QJJRJZAOHJHHLN-GOSISDBHSA-N 2 1 325.456 3.320 20 0 EGADMP CC1(C)C[C@@H](n2cc3c(n2)CC[C@@H]([NH3+])C3)CC[N@H+]1Cc1ccccc1 ZINC001171981343 1384702323 /nfs/dbraw/zinc/70/23/23/1384702323.db2.gz CKCCEFOHSKJCHD-MOPGFXCFSA-N 2 1 338.499 3.315 20 0 EGADMP CC1(C)C[C@H](N2CC[NH+]3CCC2CC3)CC[N@H+]1Cc1ccccc1 ZINC001171986241 1384706549 /nfs/dbraw/zinc/70/65/49/1384706549.db2.gz GBWVGJBPYAPRRL-HXUWFJFHSA-N 2 1 327.516 3.210 20 0 EGADMP COC(=O)C[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988719 1384706834 /nfs/dbraw/zinc/70/68/34/1384706834.db2.gz UDMHDALUAGHSGP-RBUKOAKNSA-N 2 1 344.499 3.457 20 0 EGADMP COC(=O)C[C@@H]1CCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988719 1384706836 /nfs/dbraw/zinc/70/68/36/1384706836.db2.gz UDMHDALUAGHSGP-RBUKOAKNSA-N 2 1 344.499 3.457 20 0 EGADMP COC(=O)C[C@@H]1CCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988719 1384706839 /nfs/dbraw/zinc/70/68/39/1384706839.db2.gz UDMHDALUAGHSGP-RBUKOAKNSA-N 2 1 344.499 3.457 20 0 EGADMP COC(=O)C[C@@H]1CCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988719 1384706841 /nfs/dbraw/zinc/70/68/41/1384706841.db2.gz UDMHDALUAGHSGP-RBUKOAKNSA-N 2 1 344.499 3.457 20 0 EGADMP CC1(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)OCCO1 ZINC001172065799 1384716491 /nfs/dbraw/zinc/71/64/91/1384716491.db2.gz RCWKVBAKEIFWOM-ACDBMABISA-N 2 1 344.499 3.315 20 0 EGADMP O[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@@H]1F ZINC001172069748 1384718053 /nfs/dbraw/zinc/71/80/53/1384718053.db2.gz UIIOHVRDVKJDFD-XIYVOTBMSA-N 2 1 346.490 3.367 20 0 EGADMP O[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@@H]1F ZINC001172069748 1384718054 /nfs/dbraw/zinc/71/80/54/1384718054.db2.gz UIIOHVRDVKJDFD-XIYVOTBMSA-N 2 1 346.490 3.367 20 0 EGADMP O[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@@H]1F ZINC001172069748 1384718056 /nfs/dbraw/zinc/71/80/56/1384718056.db2.gz UIIOHVRDVKJDFD-XIYVOTBMSA-N 2 1 346.490 3.367 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC[NH+]4CCC2CC4)C3)cc1 ZINC001172081912 1384722746 /nfs/dbraw/zinc/72/27/46/1384722746.db2.gz ICIRMTVXVQKWPH-ZBYYUNFXSA-N 2 1 339.527 3.352 20 0 EGADMP CC(C)N(CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC001172109126 1384728116 /nfs/dbraw/zinc/72/81/16/1384728116.db2.gz GSJGTKXEIQSPFC-BJWYYQGGSA-N 2 1 339.524 3.237 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC([NH3+])(Cc3ccccc3F)CC1)C2 ZINC001172112325 1384729765 /nfs/dbraw/zinc/72/97/65/1384729765.db2.gz UTVOKCMTYZNMHU-BWTSREIZSA-N 2 1 345.506 3.177 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCCC1)C2 ZINC001172114061 1384730994 /nfs/dbraw/zinc/73/09/94/1384730994.db2.gz OLZLJERRRLOLJP-BJWYYQGGSA-N 2 1 336.520 3.493 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)CCNC(=O)OC(C)(C)C)C2 ZINC001172114781 1384731533 /nfs/dbraw/zinc/73/15/33/1384731533.db2.gz QEGBBDRCWALNBO-MUJYYYPQSA-N 2 1 339.524 3.285 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)CCNC(=O)OC(C)(C)C)C2 ZINC001172114781 1384731537 /nfs/dbraw/zinc/73/15/37/1384731537.db2.gz QEGBBDRCWALNBO-MUJYYYPQSA-N 2 1 339.524 3.285 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]3[C@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172120517 1384735127 /nfs/dbraw/zinc/73/51/27/1384735127.db2.gz LCOIPARFOJGZPS-OBVSXPTNSA-N 2 1 349.519 3.085 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]3[C@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172120517 1384735129 /nfs/dbraw/zinc/73/51/29/1384735129.db2.gz LCOIPARFOJGZPS-OBVSXPTNSA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]3[C@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172120517 1384735131 /nfs/dbraw/zinc/73/51/31/1384735131.db2.gz LCOIPARFOJGZPS-OBVSXPTNSA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]3[C@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172120517 1384735133 /nfs/dbraw/zinc/73/51/33/1384735133.db2.gz LCOIPARFOJGZPS-OBVSXPTNSA-N 2 1 349.519 3.085 20 0 EGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](Cc1cccnc1)C1CCOCC1)C2 ZINC001172125316 1384735559 /nfs/dbraw/zinc/73/55/59/1384735559.db2.gz PJPVWSITJCVKAD-ACDBMABISA-N 2 1 329.488 3.078 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](Cc1cccnc1)C1CCOCC1)C2 ZINC001172125316 1384735571 /nfs/dbraw/zinc/73/55/71/1384735571.db2.gz PJPVWSITJCVKAD-ACDBMABISA-N 2 1 329.488 3.078 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](Cc1cccnc1)C1CCOCC1)C2 ZINC001172125316 1384735576 /nfs/dbraw/zinc/73/55/76/1384735576.db2.gz PJPVWSITJCVKAD-ACDBMABISA-N 2 1 329.488 3.078 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+](Cc1cccnc1)C1CCOCC1)C2 ZINC001172125316 1384735579 /nfs/dbraw/zinc/73/55/79/1384735579.db2.gz PJPVWSITJCVKAD-ACDBMABISA-N 2 1 329.488 3.078 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](Cc1cccnc1)C1CCOCC1)C2 ZINC001172125316 1384735582 /nfs/dbraw/zinc/73/55/82/1384735582.db2.gz PJPVWSITJCVKAD-ACDBMABISA-N 2 1 329.488 3.078 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4C[C@H]5CC[C@@H](C4)O5)[C@@H]3C2)cc1 ZINC001172218551 1384749972 /nfs/dbraw/zinc/74/99/72/1384749972.db2.gz XNNRPWVNEKJGLJ-SXIALBCKSA-N 2 1 326.484 3.197 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](C4C[C@H]5CC[C@@H](C4)O5)C[C@H]3C2)cc1 ZINC001172227254 1384752075 /nfs/dbraw/zinc/75/20/75/1384752075.db2.gz SCBAFLNFYXSELN-SPYJTGKRSA-N 2 1 326.484 3.150 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C4C[C@H]5CC[C@@H](C4)O5)C[C@H]3C2)cc1 ZINC001172227254 1384752079 /nfs/dbraw/zinc/75/20/79/1384752079.db2.gz SCBAFLNFYXSELN-SPYJTGKRSA-N 2 1 326.484 3.150 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2cccc(OC)c2)CC1 ZINC001172253083 1384757128 /nfs/dbraw/zinc/75/71/28/1384757128.db2.gz BIKHBQGFKMMUAT-HXUWFJFHSA-N 2 1 332.488 3.333 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H]2c2cccc(OC)c2)CC1 ZINC001172253083 1384757131 /nfs/dbraw/zinc/75/71/31/1384757131.db2.gz BIKHBQGFKMMUAT-HXUWFJFHSA-N 2 1 332.488 3.333 20 0 EGADMP CC1(C)C[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CO1 ZINC001172292189 1384761441 /nfs/dbraw/zinc/76/14/41/1384761441.db2.gz NZXMICCEHWBXKR-UFYCRDLUSA-N 2 1 328.500 3.398 20 0 EGADMP CC1(C)C[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CO1 ZINC001172292189 1384761448 /nfs/dbraw/zinc/76/14/48/1384761448.db2.gz NZXMICCEHWBXKR-UFYCRDLUSA-N 2 1 328.500 3.398 20 0 EGADMP CC1(C)C[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CO1 ZINC001172292189 1384761452 /nfs/dbraw/zinc/76/14/52/1384761452.db2.gz NZXMICCEHWBXKR-UFYCRDLUSA-N 2 1 328.500 3.398 20 0 EGADMP CCOCC[C@@H](C)[NH2+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001172419896 1384788187 /nfs/dbraw/zinc/78/81/87/1384788187.db2.gz NBEBSYBIWOXYTD-DGXAPEILSA-N 2 1 336.479 3.378 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172542945 1384809973 /nfs/dbraw/zinc/80/99/73/1384809973.db2.gz JXTUIEVFMOBBJK-CLAROIROSA-N 2 1 341.543 3.423 20 0 EGADMP [NH3+]CCC[C@H]1CCCC[N@H+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172667293 1384830887 /nfs/dbraw/zinc/83/08/87/1384830887.db2.gz DSDSSFHYVKRINQ-WOJBJXKFSA-N 2 1 343.515 3.019 20 0 EGADMP CC(C)OC(=O)CC[C@@H](C)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172754746 1384843888 /nfs/dbraw/zinc/84/38/88/1384843888.db2.gz YNHUNGVXPYGZAP-ZHALLVOQSA-N 2 1 347.503 3.274 20 0 EGADMP CCC[NH+](CCC)CC[NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172944251 1384885619 /nfs/dbraw/zinc/88/56/19/1384885619.db2.gz PYDLWSZNUBMSRJ-MRXNPFEDSA-N 2 1 329.529 3.344 20 0 EGADMP CCCOC1CCC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001173091636 1384912288 /nfs/dbraw/zinc/91/22/88/1384912288.db2.gz XJDUCWJEZVLRCZ-UHFFFAOYSA-N 2 1 346.515 3.346 20 0 EGADMP CCCOC1CCC(N(c2cc(C)[nH+]c(C)n2)C2CC[NH2+]CC2)CC1 ZINC001173100194 1384914714 /nfs/dbraw/zinc/91/47/14/1384914714.db2.gz BSMFOHJXSZFRIP-UHFFFAOYSA-N 2 1 346.519 3.390 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)CC1 ZINC001173111659 1384917149 /nfs/dbraw/zinc/91/71/49/1384917149.db2.gz JLKFVRQNVLBLQK-CTWPCTMYSA-N 2 1 335.536 3.116 20 0 EGADMP c1nc2c(s1)C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001173122293 1384918864 /nfs/dbraw/zinc/91/88/64/1384918864.db2.gz XEBHWNWRAQPLRP-DLBZAZTESA-N 2 1 327.497 3.112 20 0 EGADMP CCSC[C@H](C)[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001173301183 1384952995 /nfs/dbraw/zinc/95/29/95/1384952995.db2.gz KRQOIHPOGCJSDL-INIZCTEOSA-N 2 1 338.517 3.088 20 0 EGADMP CCSC[C@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001173301183 1384952997 /nfs/dbraw/zinc/95/29/97/1384952997.db2.gz KRQOIHPOGCJSDL-INIZCTEOSA-N 2 1 338.517 3.088 20 0 EGADMP COC(=O)CCCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001173435058 1384969930 /nfs/dbraw/zinc/96/99/30/1384969930.db2.gz JPEKBTSSKQHUDS-KRWDZBQOSA-N 2 1 332.488 3.363 20 0 EGADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)CC2 ZINC001173607939 1384987154 /nfs/dbraw/zinc/98/71/54/1384987154.db2.gz SJKKIJJUKRVWDG-JMDAGXMHSA-N 2 1 348.531 3.353 20 0 EGADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)CC2 ZINC001173607939 1384987158 /nfs/dbraw/zinc/98/71/58/1384987158.db2.gz SJKKIJJUKRVWDG-JMDAGXMHSA-N 2 1 348.531 3.353 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001173619404 1384989989 /nfs/dbraw/zinc/98/99/89/1384989989.db2.gz ARSBBXCXTBEQDA-HSALFYBXSA-N 2 1 344.499 3.220 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001317343512 1385094546 /nfs/dbraw/zinc/09/45/46/1385094546.db2.gz LYANSKGPHKPHBQ-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001317362866 1385105272 /nfs/dbraw/zinc/10/52/72/1385105272.db2.gz HVIFERPLZFDXJL-VQTJNVASSA-N 2 1 345.531 3.244 20 0 EGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001174882332 1385164492 /nfs/dbraw/zinc/16/44/92/1385164492.db2.gz QJWOGSBVSJAOTN-ROUUACIJSA-N 2 1 325.541 3.173 20 0 EGADMP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(F)c(Cl)c1)CC(C)C ZINC001174917284 1385169502 /nfs/dbraw/zinc/16/95/02/1385169502.db2.gz YDROVCASORTKFZ-OAHLLOKOSA-N 2 1 330.875 3.250 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(F)c(Cl)c1)CC(C)C ZINC001174917284 1385169503 /nfs/dbraw/zinc/16/95/03/1385169503.db2.gz YDROVCASORTKFZ-OAHLLOKOSA-N 2 1 330.875 3.250 20 0 EGADMP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(F)c(Cl)c1)CC(C)C ZINC001174917284 1385169504 /nfs/dbraw/zinc/16/95/04/1385169504.db2.gz YDROVCASORTKFZ-OAHLLOKOSA-N 2 1 330.875 3.250 20 0 EGADMP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(F)c(Cl)c1)CC(C)C ZINC001174917284 1385169505 /nfs/dbraw/zinc/16/95/05/1385169505.db2.gz YDROVCASORTKFZ-OAHLLOKOSA-N 2 1 330.875 3.250 20 0 EGADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C)CC2 ZINC001174929213 1385171184 /nfs/dbraw/zinc/17/11/84/1385171184.db2.gz PBWCZUCPSKECIP-FUHWJXTLSA-N 2 1 348.535 3.065 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175255834 1385230652 /nfs/dbraw/zinc/23/06/52/1385230652.db2.gz HKXAUGDWTAQQEN-SJORKVTESA-N 2 1 337.552 3.172 20 0 EGADMP C[C@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175257338 1385231995 /nfs/dbraw/zinc/23/19/95/1385231995.db2.gz ZOKCEKJHQQRSJE-SJORKVTESA-N 2 1 349.494 3.075 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001175262987 1385233127 /nfs/dbraw/zinc/23/31/27/1385233127.db2.gz MNPHVNTUTILHCN-MOPGFXCFSA-N 2 1 345.531 3.101 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001317536396 1385266915 /nfs/dbraw/zinc/26/69/15/1385266915.db2.gz NVFOGDUVJJHCMM-MOPGFXCFSA-N 2 1 343.515 3.062 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccccc1CC ZINC001317543364 1385285135 /nfs/dbraw/zinc/28/51/35/1385285135.db2.gz UUYPMDUUUVTDDH-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1CC ZINC001317543364 1385285136 /nfs/dbraw/zinc/28/51/36/1385285136.db2.gz UUYPMDUUUVTDDH-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccccc1CC ZINC001317543364 1385285141 /nfs/dbraw/zinc/28/51/41/1385285141.db2.gz UUYPMDUUUVTDDH-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP C[NH+](C)C1(C(=O)NCC[N@@H+](CCC2CCCCCC2)C2CC2)CCC1 ZINC001317552240 1385312932 /nfs/dbraw/zinc/31/29/32/1385312932.db2.gz QQYOHGFJXGHFAN-UHFFFAOYSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001317554171 1385318608 /nfs/dbraw/zinc/31/86/08/1385318608.db2.gz UUNMYWISSYYRIZ-PMACEKPBSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001317554171 1385318615 /nfs/dbraw/zinc/31/86/15/1385318615.db2.gz UUNMYWISSYYRIZ-PMACEKPBSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001317554171 1385318617 /nfs/dbraw/zinc/31/86/17/1385318617.db2.gz UUNMYWISSYYRIZ-PMACEKPBSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175527988 1385320886 /nfs/dbraw/zinc/32/08/86/1385320886.db2.gz ACNLHPRKZFTLPT-DLBZAZTESA-N 2 1 336.524 3.317 20 0 EGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175529500 1385322939 /nfs/dbraw/zinc/32/29/39/1385322939.db2.gz XLVHOWMGYBQXGJ-KRWDZBQOSA-N 2 1 336.524 3.461 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001317769553 1385459236 /nfs/dbraw/zinc/45/92/36/1385459236.db2.gz FSSJJRVEWYPAQT-GOSISDBHSA-N 2 1 348.535 3.331 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001317769553 1385459237 /nfs/dbraw/zinc/45/92/37/1385459237.db2.gz FSSJJRVEWYPAQT-GOSISDBHSA-N 2 1 348.535 3.331 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]C(C)C ZINC001176111410 1385487093 /nfs/dbraw/zinc/48/70/93/1385487093.db2.gz HQSTXLOKLJCQTR-QZTJIDSGSA-N 2 1 325.541 3.314 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]C(C)C)c1ccccc1 ZINC001176120246 1385489481 /nfs/dbraw/zinc/48/94/81/1385489481.db2.gz LTTHSPWSZGCEQR-PKOBYXMFSA-N 2 1 333.520 3.352 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317845311 1385531306 /nfs/dbraw/zinc/53/13/06/1385531306.db2.gz OPQLLDCIQVJDNK-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317845311 1385531308 /nfs/dbraw/zinc/53/13/08/1385531308.db2.gz OPQLLDCIQVJDNK-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317845311 1385531309 /nfs/dbraw/zinc/53/13/09/1385531309.db2.gz OPQLLDCIQVJDNK-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)C1 ZINC001176269469 1385532368 /nfs/dbraw/zinc/53/23/68/1385532368.db2.gz UEQXUFJAVXAUNQ-LXPRWKDFSA-N 2 1 325.541 3.029 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@@H](C)CC(C)C ZINC001176283974 1385539097 /nfs/dbraw/zinc/53/90/97/1385539097.db2.gz CBXRBOUMZUDIOR-ROUUACIJSA-N 2 1 327.557 3.275 20 0 EGADMP Cc1[nH+]c2c(Nc3ccc(OCCC[NH+](C)C)nc3)cccn2c1C ZINC001176354196 1385561259 /nfs/dbraw/zinc/56/12/59/1385561259.db2.gz FALWHCKJHJJLTF-UHFFFAOYSA-N 2 1 339.443 3.420 20 0 EGADMP CC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1c(C)cccc1C ZINC001698611945 1406241332 /nfs/dbraw/zinc/24/13/32/1406241332.db2.gz ASZNDAPOJXJMKO-SFHVURJKSA-N 2 1 347.547 3.266 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176754388 1385684132 /nfs/dbraw/zinc/68/41/32/1385684132.db2.gz UHUPXAHULWBDKG-BLGFXRMMSA-N 2 1 325.541 3.338 20 0 EGADMP Cc1cc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)cs1 ZINC001176753729 1385684476 /nfs/dbraw/zinc/68/44/76/1385684476.db2.gz LSTMHPHURORTGA-OAHLLOKOSA-N 2 1 339.549 3.161 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C ZINC001176758808 1385686181 /nfs/dbraw/zinc/68/61/81/1385686181.db2.gz FMLPEENYDYYSON-ROUUACIJSA-N 2 1 325.541 3.172 20 0 EGADMP CC1CCC(C[NH2+]CCCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001177016985 1385773244 /nfs/dbraw/zinc/77/32/44/1385773244.db2.gz VKXRZPBQBXOLRQ-QLOJAFMTSA-N 2 1 345.531 3.212 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC001177199845 1385859039 /nfs/dbraw/zinc/85/90/39/1385859039.db2.gz PJGKTNBRGQJIEA-UHFFFAOYSA-N 2 1 340.471 3.479 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CCC[NH2+]CC2CC2)CC2CCCC2)CC[N@H+]1C ZINC001177324332 1385915320 /nfs/dbraw/zinc/91/53/20/1385915320.db2.gz XAJMHRZSPODJGU-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1CC[NH+](CC2CCCCC2)CC1 ZINC001319040058 1385942101 /nfs/dbraw/zinc/94/21/01/1385942101.db2.gz VGEYYGFQVMBMNQ-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)CCn1cc[nH+]c1C(C)C ZINC001177434440 1385956053 /nfs/dbraw/zinc/95/60/53/1385956053.db2.gz WWABPHQLQWDNLN-UHFFFAOYSA-N 2 1 348.535 3.415 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CCC[NH2+]C[C@H](F)CC)CC1CCCC1 ZINC001177466673 1385966846 /nfs/dbraw/zinc/96/68/46/1385966846.db2.gz BCDIJPIMDSCIAL-GOSISDBHSA-N 2 1 343.531 3.075 20 0 EGADMP Cc1cccc(C)c1C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001319186957 1385998299 /nfs/dbraw/zinc/99/82/99/1385998299.db2.gz ZUCDMWWURRCINV-OXQOHEQNSA-N 2 1 345.531 3.018 20 0 EGADMP O=c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c[nH]1 ZINC001178285081 1386180491 /nfs/dbraw/zinc/18/04/91/1386180491.db2.gz JRRGSCAWUJKXOA-XUVXKRRUSA-N 2 1 337.467 3.178 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001178471867 1386226989 /nfs/dbraw/zinc/22/69/89/1386226989.db2.gz MGDRXYZWGUVUEV-GOSISDBHSA-N 2 1 325.541 3.316 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CC2=CCCCC2)CC[N@H+]1C ZINC001178518749 1386240363 /nfs/dbraw/zinc/24/03/63/1386240363.db2.gz YTESBSRSDJINOS-IEBWSBKVSA-N 2 1 335.536 3.093 20 0 EGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001178634530 1386265868 /nfs/dbraw/zinc/26/58/68/1386265868.db2.gz YJGMQAUQHSLQKD-UEKDZROGSA-N 2 1 337.552 3.483 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178689729 1386279311 /nfs/dbraw/zinc/27/93/11/1386279311.db2.gz XERKHCXWCKPVEE-OZHPBFKBSA-N 2 1 335.536 3.185 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCCCCC[NH2+]CC[C@H](C)F ZINC001178692833 1386279934 /nfs/dbraw/zinc/27/99/34/1386279934.db2.gz CYONLWZNIWXTFS-ZWKOTPCHSA-N 2 1 343.531 3.264 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001178693622 1386280903 /nfs/dbraw/zinc/28/09/03/1386280903.db2.gz XYODAZMDIILKPB-HXUWFJFHSA-N 2 1 349.563 3.460 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001178698915 1386282265 /nfs/dbraw/zinc/28/22/65/1386282265.db2.gz ZLTDUCKFXAPMES-IRXDYDNUSA-N 2 1 334.508 3.073 20 0 EGADMP CCC/C=C\CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001178701965 1386282995 /nfs/dbraw/zinc/28/29/95/1386282995.db2.gz HBTTVWFFOUDGGG-WAYWQWQTSA-N 2 1 337.552 3.483 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001319810704 1386308913 /nfs/dbraw/zinc/30/89/13/1386308913.db2.gz SCMBVXPEBNVDES-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001178810545 1386313823 /nfs/dbraw/zinc/31/38/23/1386313823.db2.gz FROGRAGJUPTKLF-RBUKOAKNSA-N 2 1 337.552 3.316 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001178810573 1386314241 /nfs/dbraw/zinc/31/42/41/1386314241.db2.gz HBJQTYGFBNZERR-PMACEKPBSA-N 2 1 349.563 3.460 20 0 EGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001178877472 1386336465 /nfs/dbraw/zinc/33/64/65/1386336465.db2.gz BYGGIUWZWQGYKU-OTWHNJEPSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]1C ZINC001178890648 1386340486 /nfs/dbraw/zinc/34/04/86/1386340486.db2.gz JNQRPRKHJHXXOU-KSZLIROESA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CCCC2CCC2)[C@@H]1C ZINC001178891416 1386340559 /nfs/dbraw/zinc/34/05/59/1386340559.db2.gz SAHFUTJSEVPURJ-IHPCNDPISA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC[C@@H](C)F ZINC001178920637 1386349110 /nfs/dbraw/zinc/34/91/10/1386349110.db2.gz CCYOJXXWFVCMJU-MSOLQXFVSA-N 2 1 343.531 3.121 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]C[C@@H](C)CC)C1 ZINC001179357850 1386462458 /nfs/dbraw/zinc/46/24/58/1386462458.db2.gz NJNCHZHANVZLMZ-RBUKOAKNSA-N 2 1 339.568 3.421 20 0 EGADMP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001179388439 1386471416 /nfs/dbraw/zinc/47/14/16/1386471416.db2.gz GVOFPPPCQNNAJI-NEPBSLMDSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001179592439 1386527040 /nfs/dbraw/zinc/52/70/40/1386527040.db2.gz BRRHICSAEXFQOU-QGZVFWFLSA-N 2 1 327.557 3.277 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001179714432 1386562929 /nfs/dbraw/zinc/56/29/29/1386562929.db2.gz UFWGYVCNIFEFNH-UHFFFAOYSA-N 2 1 348.535 3.463 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001180060933 1386683556 /nfs/dbraw/zinc/68/35/56/1386683556.db2.gz USQYEYJLDVIMFG-OALUTQOASA-N 2 1 339.568 3.277 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001180060934 1386683600 /nfs/dbraw/zinc/68/36/00/1386683600.db2.gz USQYEYJLDVIMFG-RBUKOAKNSA-N 2 1 339.568 3.277 20 0 EGADMP C[C@H]([NH2+]CCCCCCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001180065726 1386685096 /nfs/dbraw/zinc/68/50/96/1386685096.db2.gz ZUTFZEXVKSTYEA-RBUKOAKNSA-N 2 1 345.531 3.356 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]Cc1cccc(C)c1 ZINC001180121112 1386703145 /nfs/dbraw/zinc/70/31/45/1386703145.db2.gz IMXICRUIFGBNDU-UHFFFAOYSA-N 2 1 333.520 3.103 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001180123196 1386704235 /nfs/dbraw/zinc/70/42/35/1386704235.db2.gz AGACIBHYDPFRIP-INIZCTEOSA-N 2 1 347.494 3.030 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+][C@H](C)c1ccccc1 ZINC001180124490 1386704509 /nfs/dbraw/zinc/70/45/09/1386704509.db2.gz YAYSOUDZAPGSAQ-GOSISDBHSA-N 2 1 333.520 3.356 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)CC1 ZINC001180142378 1386711707 /nfs/dbraw/zinc/71/17/07/1386711707.db2.gz NYWYBLIAAXNHMC-RBUKOAKNSA-N 2 1 329.532 3.313 20 0 EGADMP Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C)c(C)c1 ZINC001180221588 1386737775 /nfs/dbraw/zinc/73/77/75/1386737775.db2.gz ATCRZHYBIKBSOX-ICSRJNTNSA-N 2 1 345.531 3.031 20 0 EGADMP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc(F)cc1 ZINC001180264964 1386750530 /nfs/dbraw/zinc/75/05/30/1386750530.db2.gz LQKVCILMGNIAEI-SJLPKXTDSA-N 2 1 349.494 3.105 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCCCCC[NH2+]CCC1CCCCC1 ZINC001180274608 1386752284 /nfs/dbraw/zinc/75/22/84/1386752284.db2.gz MVAGOJSZPJVGGL-UHFFFAOYSA-N 2 1 348.535 3.428 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+]CC1CCC(C)CC1 ZINC001180369647 1386776997 /nfs/dbraw/zinc/77/69/97/1386776997.db2.gz QJHWHFOSUKRZRK-UHFFFAOYSA-N 2 1 339.568 3.419 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(-c2cnn(C)c2)cc1 ZINC001321069245 1386799274 /nfs/dbraw/zinc/79/92/74/1386799274.db2.gz AFIXFEDHHGHYPM-QGZVFWFLSA-N 2 1 326.488 3.441 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C)[NH+]2CCCC2)c1 ZINC001180583719 1386841631 /nfs/dbraw/zinc/84/16/31/1386841631.db2.gz QWPLWURTTGRSIT-INIZCTEOSA-N 2 1 340.471 3.478 20 0 EGADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H]3CCCF)c2)CC1 ZINC001321267080 1386860919 /nfs/dbraw/zinc/86/09/19/1386860919.db2.gz HSLFKZHZDMUHAO-RTWAWAEBSA-N 2 1 347.522 3.442 20 0 EGADMP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181440458 1386994659 /nfs/dbraw/zinc/99/46/59/1386994659.db2.gz GPUUWCYGRGMKAQ-YCIUYBBHSA-N 2 1 349.563 3.290 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001181896680 1387072397 /nfs/dbraw/zinc/07/23/97/1387072397.db2.gz RJSXFQIDEGQLFY-BWPKTWLJSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001329462806 1389119206 /nfs/dbraw/zinc/11/92/06/1389119206.db2.gz ZUFWZSZBBDDUPN-VQIMIIECSA-N 2 1 331.504 3.059 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC001336778705 1389167560 /nfs/dbraw/zinc/16/75/60/1389167560.db2.gz AGEAHDJSAHHFQQ-WIYYLYMNSA-N 2 1 340.511 3.453 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC001336785652 1389169110 /nfs/dbraw/zinc/16/91/10/1389169110.db2.gz QRQQKRIJLNRAOT-CZUORRHYSA-N 2 1 344.421 3.449 20 0 EGADMP Cc1cccc(C[N@@H+]2CCCCC[C@H]2CNC(=O)CCC[NH+](C)C)c1 ZINC001329939418 1389267584 /nfs/dbraw/zinc/26/75/84/1389267584.db2.gz UDXFTYZMIWRLCG-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)Cc2c(C)cccc2C)CC1 ZINC001331068224 1389617973 /nfs/dbraw/zinc/61/79/73/1389617973.db2.gz FJCUWSZGIYGPCS-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@H+](C)Cc2c(C)cccc2C)CC1 ZINC001331068224 1389617975 /nfs/dbraw/zinc/61/79/75/1389617975.db2.gz FJCUWSZGIYGPCS-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](C)Cc2c(C)cccc2C)CC1 ZINC001331068224 1389617979 /nfs/dbraw/zinc/61/79/79/1389617979.db2.gz FJCUWSZGIYGPCS-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP C[C@@H](CN(C)C(=O)CC[N@@H+](C)C1CCCCC1)[NH2+]CC1CC(C)C1 ZINC001331517819 1389779909 /nfs/dbraw/zinc/77/99/09/1389779909.db2.gz RPZIZEXKPUFSEZ-ADKAHSJRSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccc(C)c(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001698750530 1406401525 /nfs/dbraw/zinc/40/15/25/1406401525.db2.gz YTUUXAPXPZXHMO-FXAWDEMLSA-N 2 1 345.531 3.018 20 0 EGADMP c1cnc(Oc2ccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cc2)cn1 ZINC001332357617 1390095490 /nfs/dbraw/zinc/09/54/90/1390095490.db2.gz BDGIKNVVNPITJT-UHFFFAOYSA-N 2 1 338.455 3.235 20 0 EGADMP CC(C)C[C@H]([NH3+])CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001340105966 1390227408 /nfs/dbraw/zinc/22/74/08/1390227408.db2.gz PZIMCJWHKNVGNL-VKJFTORMSA-N 2 1 337.533 3.011 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CCCCC2CC[NH2+]CC2)C1 ZINC001340173967 1390242175 /nfs/dbraw/zinc/24/21/75/1390242175.db2.gz VXGYCKJOFFDFEO-SFHVURJKSA-N 2 1 337.552 3.175 20 0 EGADMP C[N@@H+](CCCNC(=O)[C@@H]1CCCCC12CC[NH2+]CC2)C1CCCCC1 ZINC001340810016 1390373818 /nfs/dbraw/zinc/37/38/18/1390373818.db2.gz UDQNSXLOIDWRMZ-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001335430099 1390683666 /nfs/dbraw/zinc/68/36/66/1390683666.db2.gz KTHUQTPSIBLHAP-CZUORRHYSA-N 2 1 330.394 3.060 20 0 EGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001343333052 1390707588 /nfs/dbraw/zinc/70/75/88/1390707588.db2.gz MGKGPYWCJVUAAY-KSZLIROESA-N 2 1 332.536 3.417 20 0 EGADMP CC(C)(C)OC(=O)NCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC001345120636 1390838923 /nfs/dbraw/zinc/83/89/23/1390838923.db2.gz FZTLVWKMCMUJMR-ZXFUBFMLSA-N 2 1 337.508 3.039 20 0 EGADMP COc1ccc(C[C@@H](C)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1F ZINC001345955103 1390897118 /nfs/dbraw/zinc/89/71/18/1390897118.db2.gz BAYLJOBCUWCUAJ-MRXNPFEDSA-N 2 1 334.479 3.479 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2N2CCCC2)CC[C@@H]1C(F)(F)F ZINC001348446640 1391221165 /nfs/dbraw/zinc/22/11/65/1391221165.db2.gz IXDPUISDIDLINF-HOTGVXAUSA-N 2 1 341.421 3.246 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2N2CCCC2)CC[C@@H]1C(F)(F)F ZINC001348446640 1391221169 /nfs/dbraw/zinc/22/11/69/1391221169.db2.gz IXDPUISDIDLINF-HOTGVXAUSA-N 2 1 341.421 3.246 20 0 EGADMP Fc1cccc(N2CCCC2)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001349325687 1391321062 /nfs/dbraw/zinc/32/10/62/1391321062.db2.gz PWXDTQFFNBAJMH-UHFFFAOYSA-N 2 1 331.479 3.392 20 0 EGADMP C[C@H](c1ccccc1F)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001479964401 1392499903 /nfs/dbraw/zinc/49/99/03/1392499903.db2.gz VGCRKFRVNZIYJE-CVEARBPZSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001479964401 1392499905 /nfs/dbraw/zinc/49/99/05/1392499905.db2.gz VGCRKFRVNZIYJE-CVEARBPZSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](c1ccccc1F)[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001479964401 1392499907 /nfs/dbraw/zinc/49/99/07/1392499907.db2.gz VGCRKFRVNZIYJE-CVEARBPZSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](c1ccccc1F)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001479964401 1392499910 /nfs/dbraw/zinc/49/99/10/1392499910.db2.gz VGCRKFRVNZIYJE-CVEARBPZSA-N 2 1 349.494 3.055 20 0 EGADMP C[NH+](CC1CCC1)[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001480731221 1392893332 /nfs/dbraw/zinc/89/33/32/1392893332.db2.gz SELZIYBFKCTQRK-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1)C1CCCCC1 ZINC001480731221 1392893333 /nfs/dbraw/zinc/89/33/33/1392893333.db2.gz SELZIYBFKCTQRK-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1)C1CCCCC1 ZINC001480731221 1392893338 /nfs/dbraw/zinc/89/33/38/1392893338.db2.gz SELZIYBFKCTQRK-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[N@H+](C)CCC1CCCCCC1 ZINC001480919855 1393019786 /nfs/dbraw/zinc/01/97/86/1393019786.db2.gz YGWNFZMKLPJBAH-UHFFFAOYSA-N 2 1 348.535 3.415 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[N@@H+](C)CCC1CCCCCC1 ZINC001480919855 1393019790 /nfs/dbraw/zinc/01/97/90/1393019790.db2.gz YGWNFZMKLPJBAH-UHFFFAOYSA-N 2 1 348.535 3.415 20 0 EGADMP CC[N@H+](CC/C=C\c1ccccc1)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001480982750 1393066518 /nfs/dbraw/zinc/06/65/18/1393066518.db2.gz GHXFYTRBALAXSV-HEFNWKINSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](CC/C=C\c1ccccc1)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001480982750 1393066523 /nfs/dbraw/zinc/06/65/23/1393066523.db2.gz GHXFYTRBALAXSV-HEFNWKINSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](CC/C=C\c1ccccc1)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001480982750 1393066524 /nfs/dbraw/zinc/06/65/24/1393066524.db2.gz GHXFYTRBALAXSV-HEFNWKINSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@H](C)C[NH2+][C@@H](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001481340466 1393168006 /nfs/dbraw/zinc/16/80/06/1393168006.db2.gz QEXOBOVFXODOIL-IRXDYDNUSA-N 2 1 348.535 3.235 20 0 EGADMP CC(C)C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CCCCC1 ZINC001698882686 1406613544 /nfs/dbraw/zinc/61/35/44/1406613544.db2.gz HFJOLECEKPMXJH-GOSISDBHSA-N 2 1 339.568 3.275 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001698892278 1406624620 /nfs/dbraw/zinc/62/46/20/1406624620.db2.gz KJDCKMGSFVDMQA-APWZRJJASA-N 2 1 348.535 3.235 20 0 EGADMP CCCC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001713719769 1418490643 /nfs/dbraw/zinc/49/06/43/1418490643.db2.gz HGLLXXLGXLJLHJ-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CCCC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001713719769 1418490645 /nfs/dbraw/zinc/49/06/45/1418490645.db2.gz HGLLXXLGXLJLHJ-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](C/C=C\c2ccccc2)C1 ZINC001490456349 1394234549 /nfs/dbraw/zinc/23/45/49/1394234549.db2.gz AKTILVDHKIAFNM-QRGKHIHXSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](C/C=C\c2ccccc2)C1 ZINC001490456349 1394234551 /nfs/dbraw/zinc/23/45/51/1394234551.db2.gz AKTILVDHKIAFNM-QRGKHIHXSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1 ZINC001490456349 1394234554 /nfs/dbraw/zinc/23/45/54/1394234554.db2.gz AKTILVDHKIAFNM-QRGKHIHXSA-N 2 1 343.515 3.012 20 0 EGADMP CCCN(C(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CC[N@@H+](CCC)C1 ZINC001481402622 1394251627 /nfs/dbraw/zinc/25/16/27/1394251627.db2.gz AOYNRVGTVDWAGM-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP CCCN(C(=O)CC[N@H+](C)C1CCCCC1)[C@@H]1CC[NH+](CCC)C1 ZINC001481402622 1394251629 /nfs/dbraw/zinc/25/16/29/1394251629.db2.gz AOYNRVGTVDWAGM-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP CCCN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH+](CCC)C1 ZINC001481402622 1394251637 /nfs/dbraw/zinc/25/16/37/1394251637.db2.gz AOYNRVGTVDWAGM-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)Cc2cccc(C)c2)C1 ZINC001490777718 1394341229 /nfs/dbraw/zinc/34/12/29/1394341229.db2.gz RITHFCIAFWLYDB-FQEVSTJZSA-N 2 1 345.531 3.007 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H](C[N@H+](C)Cc2cccc(C)c2)C1 ZINC001490777718 1394341234 /nfs/dbraw/zinc/34/12/34/1394341234.db2.gz RITHFCIAFWLYDB-FQEVSTJZSA-N 2 1 345.531 3.007 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2cccc(C)c2)C1 ZINC001490777718 1394341238 /nfs/dbraw/zinc/34/12/38/1394341238.db2.gz RITHFCIAFWLYDB-FQEVSTJZSA-N 2 1 345.531 3.007 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001481528562 1394382213 /nfs/dbraw/zinc/38/22/13/1394382213.db2.gz UNIPYOWNEMIZFE-IEBWSBKVSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001481528562 1394382218 /nfs/dbraw/zinc/38/22/18/1394382218.db2.gz UNIPYOWNEMIZFE-IEBWSBKVSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001481528562 1394382222 /nfs/dbraw/zinc/38/22/22/1394382222.db2.gz UNIPYOWNEMIZFE-IEBWSBKVSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC(C)C1 ZINC001491226742 1394483134 /nfs/dbraw/zinc/48/31/34/1394483134.db2.gz WQLAITBHHJDSCU-ABHNRTSZSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CCCC[N@H+]1CC1CC(C)C1 ZINC001491226742 1394483136 /nfs/dbraw/zinc/48/31/36/1394483136.db2.gz WQLAITBHHJDSCU-ABHNRTSZSA-N 2 1 346.519 3.023 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC(CC[NH+](C)CC3CC3)CC2)C1 ZINC001698954626 1406700162 /nfs/dbraw/zinc/70/01/62/1406700162.db2.gz ZYYZXOUSORLHAK-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC(CC[N@H+](C)CC3CC3)CC2)C1 ZINC001698954626 1406700164 /nfs/dbraw/zinc/70/01/64/1406700164.db2.gz ZYYZXOUSORLHAK-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC(CC[N@@H+](C)CC3CC3)CC2)C1 ZINC001698954626 1406700166 /nfs/dbraw/zinc/70/01/66/1406700166.db2.gz ZYYZXOUSORLHAK-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C[C@H]1C ZINC001483915676 1395143661 /nfs/dbraw/zinc/14/36/61/1395143661.db2.gz HOMBSMADLNPRTN-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001484389121 1395356302 /nfs/dbraw/zinc/35/63/02/1395356302.db2.gz XAPKRUJUUOMVKT-REPLKXPHSA-N 2 1 349.563 3.410 20 0 EGADMP CCc1ccccc1C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001484981451 1395622091 /nfs/dbraw/zinc/62/20/91/1395622091.db2.gz OBFACZAWNHSYIX-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001484981451 1395622095 /nfs/dbraw/zinc/62/20/95/1395622095.db2.gz OBFACZAWNHSYIX-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001484981451 1395622098 /nfs/dbraw/zinc/62/20/98/1395622098.db2.gz OBFACZAWNHSYIX-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CC(C)c1ccccc1C[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001698997386 1406797165 /nfs/dbraw/zinc/79/71/65/1406797165.db2.gz XKUZIZCGZHQNBY-SFHVURJKSA-N 2 1 345.531 3.042 20 0 EGADMP CC(C)c1ccccc1C[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001698997386 1406797170 /nfs/dbraw/zinc/79/71/70/1406797170.db2.gz XKUZIZCGZHQNBY-SFHVURJKSA-N 2 1 345.531 3.042 20 0 EGADMP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC[N@H+]2CCCC(C)(C)C)CC1 ZINC001493139768 1396338215 /nfs/dbraw/zinc/33/82/15/1396338215.db2.gz LIVSCNSPGVEHCQ-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001494863088 1396501396 /nfs/dbraw/zinc/50/13/96/1396501396.db2.gz LBIZMBJTHIUPCK-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001494863088 1396501400 /nfs/dbraw/zinc/50/14/00/1396501400.db2.gz LBIZMBJTHIUPCK-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001494863088 1396501402 /nfs/dbraw/zinc/50/14/02/1396501402.db2.gz LBIZMBJTHIUPCK-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[NH2+]Cc1ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001495494491 1396537740 /nfs/dbraw/zinc/53/77/40/1396537740.db2.gz CZNIFPCGIJHLKB-UHFFFAOYSA-N 2 1 333.520 3.026 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1c(C)cccc1C ZINC001699010801 1406840924 /nfs/dbraw/zinc/84/09/24/1406840924.db2.gz GORXINUYYMVNRZ-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)Cc1c(C)cccc1C ZINC001699010801 1406840930 /nfs/dbraw/zinc/84/09/30/1406840930.db2.gz GORXINUYYMVNRZ-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)Cc1c(C)cccc1C ZINC001699010801 1406840933 /nfs/dbraw/zinc/84/09/33/1406840933.db2.gz GORXINUYYMVNRZ-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001498456489 1397003181 /nfs/dbraw/zinc/00/31/81/1397003181.db2.gz OIGVGNQQSXYJDG-GOSISDBHSA-N 2 1 345.531 3.062 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001498457739 1397006823 /nfs/dbraw/zinc/00/68/23/1397006823.db2.gz TWQZVLSIJLAXMH-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP CCc1ccccc1C[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001690484134 1404600962 /nfs/dbraw/zinc/60/09/62/1404600962.db2.gz HKPQUIHDICPCHO-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001690752160 1404708996 /nfs/dbraw/zinc/70/89/96/1404708996.db2.gz ZNIOQCCLHCIMIA-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@@H+](C)CCNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001690971874 1404880280 /nfs/dbraw/zinc/88/02/80/1404880280.db2.gz DMRMSYDMWQXPHW-KRWDZBQOSA-N 2 1 345.531 3.261 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001691100150 1405038594 /nfs/dbraw/zinc/03/85/94/1405038594.db2.gz NUZYLEFVYFOLIL-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCC1 ZINC001691100150 1405038595 /nfs/dbraw/zinc/03/85/95/1405038595.db2.gz NUZYLEFVYFOLIL-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001691146133 1405079386 /nfs/dbraw/zinc/07/93/86/1405079386.db2.gz OAONKZZQFHKGKH-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001691146133 1405079387 /nfs/dbraw/zinc/07/93/87/1405079387.db2.gz OAONKZZQFHKGKH-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001691146133 1405079392 /nfs/dbraw/zinc/07/93/92/1405079392.db2.gz OAONKZZQFHKGKH-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)CC[NH+](C)CC)C1 ZINC001691999320 1405714932 /nfs/dbraw/zinc/71/49/32/1405714932.db2.gz RWMSLNHGACFSAJ-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP CCC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)CC[N@H+](C)CC)C1 ZINC001691999320 1405714937 /nfs/dbraw/zinc/71/49/37/1405714937.db2.gz RWMSLNHGACFSAJ-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP CCC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)CC[N@@H+](C)CC)C1 ZINC001691999320 1405714939 /nfs/dbraw/zinc/71/49/39/1405714939.db2.gz RWMSLNHGACFSAJ-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001692145390 1405798937 /nfs/dbraw/zinc/79/89/37/1405798937.db2.gz APWURHASAYIGJW-SFHVURJKSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001692145390 1405798943 /nfs/dbraw/zinc/79/89/43/1405798943.db2.gz APWURHASAYIGJW-SFHVURJKSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001692145390 1405798945 /nfs/dbraw/zinc/79/89/45/1405798945.db2.gz APWURHASAYIGJW-SFHVURJKSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1CC)[NH+](CC)CC ZINC001692204609 1405843420 /nfs/dbraw/zinc/84/34/20/1405843420.db2.gz WJVBWJVWPPGKDI-ZCNNSNEGSA-N 2 1 345.531 3.276 20 0 EGADMP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001732040821 1428269365 /nfs/dbraw/zinc/26/93/65/1428269365.db2.gz AHXSLSOLFVRTHA-HXUWFJFHSA-N 2 1 345.531 3.331 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001732072645 1428321264 /nfs/dbraw/zinc/32/12/64/1428321264.db2.gz KMKJCOIXSLDFEI-OAHLLOKOSA-N 2 1 337.533 3.004 20 0 EGADMP CCC[N@@H+](C)CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001732086900 1428348313 /nfs/dbraw/zinc/34/83/13/1428348313.db2.gz QXANVYNSIGUSLE-HXUWFJFHSA-N 2 1 345.531 3.260 20 0 EGADMP CCC[NH+](C)CC1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001732086900 1428348317 /nfs/dbraw/zinc/34/83/17/1428348317.db2.gz QXANVYNSIGUSLE-HXUWFJFHSA-N 2 1 345.531 3.260 20 0 EGADMP CCC[NH+](C)CC1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001732086900 1428348319 /nfs/dbraw/zinc/34/83/19/1428348319.db2.gz QXANVYNSIGUSLE-HXUWFJFHSA-N 2 1 345.531 3.260 20 0 EGADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001732090808 1428355920 /nfs/dbraw/zinc/35/59/20/1428355920.db2.gz ADLQSAKYMXBNMS-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+](C)CCC(=O)NC1C[NH+]([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001732114496 1428368072 /nfs/dbraw/zinc/36/80/72/1428368072.db2.gz NRIBKYYKUIPPOB-MRXNPFEDSA-N 2 1 331.504 3.013 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1C[NH+]([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001732114496 1428368077 /nfs/dbraw/zinc/36/80/77/1428368077.db2.gz NRIBKYYKUIPPOB-MRXNPFEDSA-N 2 1 331.504 3.013 20 0 EGADMP CCC(CC)C[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2C)CCCC[C@@H]1C ZINC001732264329 1428504006 /nfs/dbraw/zinc/50/40/06/1428504006.db2.gz ZPPMKSJXGDFGBG-OXJNMPFZSA-N 2 1 348.535 3.282 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001732330884 1428537496 /nfs/dbraw/zinc/53/74/96/1428537496.db2.gz RXFVWEVMVGGXDT-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001732330884 1428537497 /nfs/dbraw/zinc/53/74/97/1428537497.db2.gz RXFVWEVMVGGXDT-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001732330884 1428537498 /nfs/dbraw/zinc/53/74/98/1428537498.db2.gz RXFVWEVMVGGXDT-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H](CC[NH2+]Cc1ccccc1C1CC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001699114379 1412516634 /nfs/dbraw/zinc/51/66/34/1412516634.db2.gz GIXATDIWVCLFBK-JXFKEZNVSA-N 2 1 343.515 3.033 20 0 EGADMP C[C@H](C[N@@H+](C)CC/C=C\c1ccccc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001699445915 1412779546 /nfs/dbraw/zinc/77/95/46/1412779546.db2.gz JABOZNIMYDRLEE-RUEYPURISA-N 2 1 343.515 3.011 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)C[C@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001699473873 1412860197 /nfs/dbraw/zinc/86/01/97/1412860197.db2.gz DRKBSRHPUHJNRV-OALUTQOASA-N 2 1 345.531 3.369 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](CC(CC)CC)C2)C1 ZINC001699705466 1413121116 /nfs/dbraw/zinc/12/11/16/1413121116.db2.gz JAKYBHYVUFYDCZ-HXUWFJFHSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@H+](CC(CC)CC)C2)C1 ZINC001699705466 1413121121 /nfs/dbraw/zinc/12/11/21/1413121121.db2.gz JAKYBHYVUFYDCZ-HXUWFJFHSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@@H+](CC(CC)CC)C2)C1 ZINC001699705466 1413121124 /nfs/dbraw/zinc/12/11/24/1413121124.db2.gz JAKYBHYVUFYDCZ-HXUWFJFHSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001699825900 1413251136 /nfs/dbraw/zinc/25/11/36/1413251136.db2.gz JZYWEWNYNSQAOG-FPOVZHCZSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+]([C@@H](CC)c2ccccc2)C1 ZINC001699825900 1413251138 /nfs/dbraw/zinc/25/11/38/1413251138.db2.gz JZYWEWNYNSQAOG-FPOVZHCZSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC001699825900 1413251139 /nfs/dbraw/zinc/25/11/39/1413251139.db2.gz JZYWEWNYNSQAOG-FPOVZHCZSA-N 2 1 345.531 3.450 20 0 EGADMP CC(C)CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001732548877 1428727967 /nfs/dbraw/zinc/72/79/67/1428727967.db2.gz GYASXFWZBACTNJ-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001732548877 1428727968 /nfs/dbraw/zinc/72/79/68/1428727968.db2.gz GYASXFWZBACTNJ-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001732548877 1428727974 /nfs/dbraw/zinc/72/79/74/1428727974.db2.gz GYASXFWZBACTNJ-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001700019473 1413466951 /nfs/dbraw/zinc/46/69/51/1413466951.db2.gz MJTIYOSWKBAOKL-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001700019473 1413466954 /nfs/dbraw/zinc/46/69/54/1413466954.db2.gz MJTIYOSWKBAOKL-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001700019473 1413466958 /nfs/dbraw/zinc/46/69/58/1413466958.db2.gz MJTIYOSWKBAOKL-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@@H+](CCCC(C)(C)C)CC2)CC1 ZINC001700178054 1413588835 /nfs/dbraw/zinc/58/88/35/1413588835.db2.gz VFECIVZHBLFTNC-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)CC1(C)C ZINC001700294642 1413754696 /nfs/dbraw/zinc/75/46/96/1413754696.db2.gz ZPFLZXZHSUSZIK-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2CCCCC2)CC1(C)C ZINC001700294642 1413754692 /nfs/dbraw/zinc/75/46/92/1413754692.db2.gz ZPFLZXZHSUSZIK-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)CC1(C)C ZINC001700294642 1413754701 /nfs/dbraw/zinc/75/47/01/1413754701.db2.gz ZPFLZXZHSUSZIK-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC1CCCCCC1 ZINC001700326288 1413796185 /nfs/dbraw/zinc/79/61/85/1413796185.db2.gz UQEIAVRLXBOOER-LNLFQRSKSA-N 2 1 337.552 3.172 20 0 EGADMP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001700487724 1414136278 /nfs/dbraw/zinc/13/62/78/1414136278.db2.gz NQZFCGKHSRPTPB-SJORKVTESA-N 2 1 349.494 3.199 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@H]1CCCCC[N@H+]1CC1CCCCC1 ZINC001700528255 1414192725 /nfs/dbraw/zinc/19/27/25/1414192725.db2.gz CWUYFNXIWBMLMX-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713062606 1417620308 /nfs/dbraw/zinc/62/03/08/1417620308.db2.gz GCHYHKGAGCYCHZ-ROUUACIJSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001713062606 1417620309 /nfs/dbraw/zinc/62/03/09/1417620309.db2.gz GCHYHKGAGCYCHZ-ROUUACIJSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001713062606 1417620310 /nfs/dbraw/zinc/62/03/10/1417620310.db2.gz GCHYHKGAGCYCHZ-ROUUACIJSA-N 2 1 339.568 3.227 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2ccc(C)c(C)c2)C1 ZINC001713399500 1418019386 /nfs/dbraw/zinc/01/93/86/1418019386.db2.gz NZQDZWMSUWORTF-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001713399500 1418019388 /nfs/dbraw/zinc/01/93/88/1418019388.db2.gz NZQDZWMSUWORTF-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001713399500 1418019392 /nfs/dbraw/zinc/01/93/92/1418019392.db2.gz NZQDZWMSUWORTF-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CCCC(C)(C)C ZINC001713469255 1418135460 /nfs/dbraw/zinc/13/54/60/1418135460.db2.gz FHJGJUGLVVZDSF-KRWDZBQOSA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)CCCC(C)(C)C ZINC001713469255 1418135463 /nfs/dbraw/zinc/13/54/63/1418135463.db2.gz FHJGJUGLVVZDSF-KRWDZBQOSA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)CCCC(C)(C)C ZINC001713469255 1418135465 /nfs/dbraw/zinc/13/54/65/1418135465.db2.gz FHJGJUGLVVZDSF-KRWDZBQOSA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001713515550 1418251103 /nfs/dbraw/zinc/25/11/03/1418251103.db2.gz WXBPAZLVBOBPQN-ZWKOTPCHSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001713515550 1418251110 /nfs/dbraw/zinc/25/11/10/1418251110.db2.gz WXBPAZLVBOBPQN-ZWKOTPCHSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001713515550 1418251117 /nfs/dbraw/zinc/25/11/17/1418251117.db2.gz WXBPAZLVBOBPQN-ZWKOTPCHSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([C@@H](C)[NH2+]CCC2CC2)CC1 ZINC001713681839 1418433652 /nfs/dbraw/zinc/43/36/52/1418433652.db2.gz OGZOEHYHBXGFTL-MRXNPFEDSA-N 2 1 346.519 3.023 20 0 EGADMP CCCC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713719769 1418490640 /nfs/dbraw/zinc/49/06/40/1418490640.db2.gz HGLLXXLGXLJLHJ-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001714138602 1418941591 /nfs/dbraw/zinc/94/15/91/1418941591.db2.gz PRQCZNSKUQMNDF-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001714155092 1418964265 /nfs/dbraw/zinc/96/42/65/1418964265.db2.gz DAZMPAAQRBWJNI-OALUTQOASA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC2(C[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC001714523599 1419249578 /nfs/dbraw/zinc/24/95/78/1419249578.db2.gz OHIFOTLHAFNXKU-SFHVURJKSA-N 2 1 343.515 3.014 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001714572307 1419305928 /nfs/dbraw/zinc/30/59/28/1419305928.db2.gz NZCABLKENJFUAR-LJQANCHMSA-N 2 1 331.504 3.062 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001714616365 1419378739 /nfs/dbraw/zinc/37/87/39/1419378739.db2.gz HRTNPQPXANGNTM-UYAOXDASSA-N 2 1 343.515 3.060 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715020851 1419751655 /nfs/dbraw/zinc/75/16/55/1419751655.db2.gz MNNLDULRFAPBNO-HKUYNNGSSA-N 2 1 343.515 3.073 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001715020851 1419751658 /nfs/dbraw/zinc/75/16/58/1419751658.db2.gz MNNLDULRFAPBNO-HKUYNNGSSA-N 2 1 343.515 3.073 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001715020851 1419751659 /nfs/dbraw/zinc/75/16/59/1419751659.db2.gz MNNLDULRFAPBNO-HKUYNNGSSA-N 2 1 343.515 3.073 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001715422349 1420114476 /nfs/dbraw/zinc/11/44/76/1420114476.db2.gz PLFOGZDDMZWZPO-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1ccc(C[NH2+][C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C(C)C)cc1C ZINC001715489125 1420170316 /nfs/dbraw/zinc/17/03/16/1420170316.db2.gz DENONPJHUQNCTI-FQEVSTJZSA-N 2 1 345.531 3.018 20 0 EGADMP CCC(CC)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)C1CCC1 ZINC001733267761 1429428220 /nfs/dbraw/zinc/42/82/20/1429428220.db2.gz COYNXTFKFMGEMS-CTXDPNEZSA-N 2 1 349.563 3.409 20 0 EGADMP Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)cc1C ZINC001716494944 1420718574 /nfs/dbraw/zinc/71/85/74/1420718574.db2.gz CMECYSJPDUISFJ-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1ccc(C[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)cc1C ZINC001716494944 1420718575 /nfs/dbraw/zinc/71/85/75/1420718575.db2.gz CMECYSJPDUISFJ-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1ccc(C[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)cc1C ZINC001716494944 1420718576 /nfs/dbraw/zinc/71/85/76/1420718576.db2.gz CMECYSJPDUISFJ-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001716502224 1420729890 /nfs/dbraw/zinc/72/98/90/1420729890.db2.gz NUYYDTHBBMRGPW-QZTJIDSGSA-N 2 1 345.531 3.305 20 0 EGADMP CC1CC(C[N@@H+](CC2CC2)C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001716715072 1420870838 /nfs/dbraw/zinc/87/08/38/1420870838.db2.gz KNHMKPINUKWTAP-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@@H+](CC1CC1)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001716715213 1420871143 /nfs/dbraw/zinc/87/11/43/1420871143.db2.gz PEANDEAEXKIOCI-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CCC1 ZINC001717158900 1421148514 /nfs/dbraw/zinc/14/85/14/1421148514.db2.gz MWMUCSQLMAMBOJ-LJQANCHMSA-N 2 1 343.515 3.078 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001717197396 1421163749 /nfs/dbraw/zinc/16/37/49/1421163749.db2.gz YCWRGVPJAGMSDW-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001717197396 1421163750 /nfs/dbraw/zinc/16/37/50/1421163750.db2.gz YCWRGVPJAGMSDW-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001717197396 1421163751 /nfs/dbraw/zinc/16/37/51/1421163751.db2.gz YCWRGVPJAGMSDW-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccccc1C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001717206381 1421176950 /nfs/dbraw/zinc/17/69/50/1421176950.db2.gz IMLJOUKAXJVRSA-FQEVSTJZSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1ccccc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001717206381 1421176952 /nfs/dbraw/zinc/17/69/52/1421176952.db2.gz IMLJOUKAXJVRSA-FQEVSTJZSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1ccccc1C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001717206381 1421176954 /nfs/dbraw/zinc/17/69/54/1421176954.db2.gz IMLJOUKAXJVRSA-FQEVSTJZSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)CCCN(C)C(=O)C[NH+]2CC[C@H](C)C2)c1 ZINC001717212557 1421187206 /nfs/dbraw/zinc/18/72/06/1421187206.db2.gz YKLOXOZKUOLDTC-OALUTQOASA-N 2 1 345.531 3.178 20 0 EGADMP Cc1cccc([C@H](C)[NH+](C)CCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001717212557 1421187209 /nfs/dbraw/zinc/18/72/09/1421187209.db2.gz YKLOXOZKUOLDTC-OALUTQOASA-N 2 1 345.531 3.178 20 0 EGADMP Cc1cccc([C@H](C)[NH+](C)CCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001717212557 1421187211 /nfs/dbraw/zinc/18/72/11/1421187211.db2.gz YKLOXOZKUOLDTC-OALUTQOASA-N 2 1 345.531 3.178 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+](C(C)C)C1 ZINC001717217240 1421195739 /nfs/dbraw/zinc/19/57/39/1421195739.db2.gz PJNBUNZLLUFJII-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001717217240 1421195741 /nfs/dbraw/zinc/19/57/41/1421195741.db2.gz PJNBUNZLLUFJII-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+](C(C)C)C1 ZINC001717217240 1421195743 /nfs/dbraw/zinc/19/57/43/1421195743.db2.gz PJNBUNZLLUFJII-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cccc(C)c2)CC1(C)C ZINC001717312340 1421257539 /nfs/dbraw/zinc/25/75/39/1421257539.db2.gz RZCSZSDVZHPJGS-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)CC1(C)C ZINC001717312340 1421257542 /nfs/dbraw/zinc/25/75/42/1421257542.db2.gz RZCSZSDVZHPJGS-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C)c2)CC1(C)C ZINC001717312340 1421257543 /nfs/dbraw/zinc/25/75/43/1421257543.db2.gz RZCSZSDVZHPJGS-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cccc(C)c2)CC1(C)C ZINC001717312341 1421257625 /nfs/dbraw/zinc/25/76/25/1421257625.db2.gz RZCSZSDVZHPJGS-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C)c2)CC1(C)C ZINC001717312341 1421257628 /nfs/dbraw/zinc/25/76/28/1421257628.db2.gz RZCSZSDVZHPJGS-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C)c2)CC1(C)C ZINC001717312341 1421257631 /nfs/dbraw/zinc/25/76/31/1421257631.db2.gz RZCSZSDVZHPJGS-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001717338280 1421275772 /nfs/dbraw/zinc/27/57/72/1421275772.db2.gz SFVSVFFJNRDDTR-LPHOPBHVSA-N 2 1 348.535 3.377 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001717338280 1421275775 /nfs/dbraw/zinc/27/57/75/1421275775.db2.gz SFVSVFFJNRDDTR-LPHOPBHVSA-N 2 1 348.535 3.377 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001717371313 1421310592 /nfs/dbraw/zinc/31/05/92/1421310592.db2.gz OBSVZLZJIYOMRG-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC001717747735 1421610088 /nfs/dbraw/zinc/61/00/88/1421610088.db2.gz RXKBEZHZHFTPFC-IRXDYDNUSA-N 2 1 342.487 3.169 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@H](C)c1ccccc1Cl ZINC001722904624 1424230217 /nfs/dbraw/zinc/23/02/17/1424230217.db2.gz KALIFCLOIVQMLX-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)c1ccccc1Cl ZINC001722904624 1424230221 /nfs/dbraw/zinc/23/02/21/1424230221.db2.gz KALIFCLOIVQMLX-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC001722904624 1424230228 /nfs/dbraw/zinc/23/02/28/1424230228.db2.gz KALIFCLOIVQMLX-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP CC(C)C[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CCCCCC1 ZINC001723640943 1424508501 /nfs/dbraw/zinc/50/85/01/1424508501.db2.gz NMNXOFNZPGHYLY-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@](C)(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001724328663 1424816350 /nfs/dbraw/zinc/81/63/50/1424816350.db2.gz MBGVCFCJJPXBTK-NRFANRHFSA-N 2 1 345.531 3.031 20 0 EGADMP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001733569128 1429772020 /nfs/dbraw/zinc/77/20/20/1429772020.db2.gz FFMCRCCOCLVHEO-QWFCFKBJSA-N 2 1 345.531 3.212 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@@H+](CCCC3CCCC3)CC2)CC1 ZINC001724840469 1425189972 /nfs/dbraw/zinc/18/99/72/1425189972.db2.gz FQVUCPPSFDACGC-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001724865257 1425248087 /nfs/dbraw/zinc/24/80/87/1425248087.db2.gz CXOUBUSVSVUFES-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001724868828 1425251733 /nfs/dbraw/zinc/25/17/33/1425251733.db2.gz RECNNRXRODJSTE-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC001725000904 1425409427 /nfs/dbraw/zinc/40/94/27/1425409427.db2.gz UZIUEFJBZSAECX-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC001725000904 1425409432 /nfs/dbraw/zinc/40/94/32/1425409432.db2.gz UZIUEFJBZSAECX-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC001725000904 1425409436 /nfs/dbraw/zinc/40/94/36/1425409436.db2.gz UZIUEFJBZSAECX-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)[N@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001725010538 1425423236 /nfs/dbraw/zinc/42/32/36/1425423236.db2.gz JHTCNRNLCPGONE-IRXDYDNUSA-N 2 1 345.531 3.061 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C[C@H](C)[NH2+]CCC1CCCC1 ZINC001725511560 1426199720 /nfs/dbraw/zinc/19/97/20/1426199720.db2.gz NVHKJDSIMDZDIN-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP CCCc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001725588939 1426245189 /nfs/dbraw/zinc/24/51/89/1426245189.db2.gz QZDJQGPHMNOSDL-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1CC1CCCCCC1 ZINC001725623131 1426288595 /nfs/dbraw/zinc/28/85/95/1426288595.db2.gz ILXWOEBSXUJMHC-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1CC1CCCCCC1 ZINC001725623129 1426289151 /nfs/dbraw/zinc/28/91/51/1426289151.db2.gz ILXWOEBSXUJMHC-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C[NH2+]Cc1cc(C)ccc1C)C(C)(C)C ZINC001725753325 1426432297 /nfs/dbraw/zinc/43/22/97/1426432297.db2.gz DDAFZMNLDBFQQF-IBGZPJMESA-N 2 1 347.547 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001731558751 1427590388 /nfs/dbraw/zinc/59/03/88/1427590388.db2.gz LSCCRCGBJQJUQP-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001731786336 1427919519 /nfs/dbraw/zinc/91/95/19/1427919519.db2.gz QHNVFWUPMPZHAE-PMACEKPBSA-N 2 1 345.531 3.449 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001731786336 1427919523 /nfs/dbraw/zinc/91/95/23/1427919523.db2.gz QHNVFWUPMPZHAE-PMACEKPBSA-N 2 1 345.531 3.449 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001731786336 1427919529 /nfs/dbraw/zinc/91/95/29/1427919529.db2.gz QHNVFWUPMPZHAE-PMACEKPBSA-N 2 1 345.531 3.449 20 0 EGADMP CCC(CC)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001733689298 1429905322 /nfs/dbraw/zinc/90/53/22/1429905322.db2.gz ALKCCHMUNFMRRA-BHIYHBOVSA-N 2 1 337.552 3.029 20 0 EGADMP CCC(CC)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001733689301 1429905782 /nfs/dbraw/zinc/90/57/82/1429905782.db2.gz ALKCCHMUNFMRRA-WDSOQIARSA-N 2 1 337.552 3.029 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001733770432 1430000965 /nfs/dbraw/zinc/00/09/65/1430000965.db2.gz RRVBJAPWTNRTIM-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)CC1 ZINC001733770432 1430000972 /nfs/dbraw/zinc/00/09/72/1430000972.db2.gz RRVBJAPWTNRTIM-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2)CC1 ZINC001733770432 1430000978 /nfs/dbraw/zinc/00/09/78/1430000978.db2.gz RRVBJAPWTNRTIM-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@H]2CCC[NH+](CC3CCC3)C2)CC1 ZINC001733941344 1437757932 /nfs/dbraw/zinc/75/79/32/1437757932.db2.gz IPTJQEIITNMBRE-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@H+](CC3CCC3)C2)CC1 ZINC001733941344 1437757934 /nfs/dbraw/zinc/75/79/34/1437757934.db2.gz IPTJQEIITNMBRE-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC001733941344 1437757937 /nfs/dbraw/zinc/75/79/37/1437757937.db2.gz IPTJQEIITNMBRE-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1cc(C)cc(C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001734053639 1437844077 /nfs/dbraw/zinc/84/40/77/1437844077.db2.gz PHPAAGAKGYEUHY-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1cc(C)cc(C[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001734053639 1437844078 /nfs/dbraw/zinc/84/40/78/1437844078.db2.gz PHPAAGAKGYEUHY-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1cc(C)cc(C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001734053639 1437844079 /nfs/dbraw/zinc/84/40/79/1437844079.db2.gz PHPAAGAKGYEUHY-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC001734351251 1438069342 /nfs/dbraw/zinc/06/93/42/1438069342.db2.gz AEKIKFXZYITKEA-FXAWDEMLSA-N 2 1 345.531 3.232 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CCC2CCCCCC2)C[C@@H]1C ZINC001734430551 1438094455 /nfs/dbraw/zinc/09/44/55/1438094455.db2.gz WKFJXACQGPTCDD-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccccc1C[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001752073628 1440138015 /nfs/dbraw/zinc/13/80/15/1440138015.db2.gz RMGSIKXAYKTVAT-FQEVSTJZSA-N 2 1 345.531 3.196 20 0 EGADMP Cc1ccccc1C[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001752073628 1440138017 /nfs/dbraw/zinc/13/80/17/1440138017.db2.gz RMGSIKXAYKTVAT-FQEVSTJZSA-N 2 1 345.531 3.196 20 0 EGADMP Cc1ccccc1C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001752073628 1440138018 /nfs/dbraw/zinc/13/80/18/1440138018.db2.gz RMGSIKXAYKTVAT-FQEVSTJZSA-N 2 1 345.531 3.196 20 0 EGADMP Cc1cc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)cs1 ZINC001752075600 1440138386 /nfs/dbraw/zinc/13/83/86/1440138386.db2.gz GFLCAAUCWUCUNJ-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)cs1 ZINC001752075600 1440138388 /nfs/dbraw/zinc/13/83/88/1440138388.db2.gz GFLCAAUCWUCUNJ-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)cs1 ZINC001752075600 1440138389 /nfs/dbraw/zinc/13/83/89/1440138389.db2.gz GFLCAAUCWUCUNJ-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)CCCNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001752078202 1440138641 /nfs/dbraw/zinc/13/86/41/1440138641.db2.gz QNAUHEZMIRMVJJ-GOSISDBHSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1ccccc1 ZINC001752159013 1440148177 /nfs/dbraw/zinc/14/81/77/1440148177.db2.gz YIPQGEXTWNHFST-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)CC1CC(C)C1 ZINC001752215385 1440155967 /nfs/dbraw/zinc/15/59/67/1440155967.db2.gz NVVLBLQCNYJYOR-XBMUEBEBSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H](C)c1cc(C)ccc1C ZINC001752232158 1440158634 /nfs/dbraw/zinc/15/86/34/1440158634.db2.gz WCKSYRLONOFZRX-OALUTQOASA-N 2 1 345.531 3.144 20 0 EGADMP CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H](C)c1cc(C)ccc1C ZINC001752232158 1440158636 /nfs/dbraw/zinc/15/86/36/1440158636.db2.gz WCKSYRLONOFZRX-OALUTQOASA-N 2 1 345.531 3.144 20 0 EGADMP CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](C)c1cc(C)ccc1C ZINC001752232158 1440158637 /nfs/dbraw/zinc/15/86/37/1440158637.db2.gz WCKSYRLONOFZRX-OALUTQOASA-N 2 1 345.531 3.144 20 0 EGADMP CCC(CC)C[NH+]1CCC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001752301724 1440167886 /nfs/dbraw/zinc/16/78/86/1440167886.db2.gz QFKZBFBQZBXRRA-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCCCCF)C1)c1ccccc1 ZINC001752335267 1440171451 /nfs/dbraw/zinc/17/14/51/1440171451.db2.gz HZQKEKMYPPBBAO-RTBURBONSA-N 2 1 349.494 3.010 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCCCCF)C1)c1ccccc1 ZINC001752335267 1440171452 /nfs/dbraw/zinc/17/14/52/1440171452.db2.gz HZQKEKMYPPBBAO-RTBURBONSA-N 2 1 349.494 3.010 20 0 EGADMP CCCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001752441223 1440181312 /nfs/dbraw/zinc/18/13/12/1440181312.db2.gz BXDBEWQZLRLZAG-UHFFFAOYSA-N 2 1 339.568 3.467 20 0 EGADMP CCCN(C(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001752441250 1440181368 /nfs/dbraw/zinc/18/13/68/1440181368.db2.gz CEZMCXSFKIUSDA-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC/C=C\CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001752515154 1440190855 /nfs/dbraw/zinc/19/08/55/1440190855.db2.gz XCWFMFHQGSWHFA-SLVIYJBESA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001752515154 1440190856 /nfs/dbraw/zinc/19/08/56/1440190856.db2.gz XCWFMFHQGSWHFA-SLVIYJBESA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001752515154 1440190857 /nfs/dbraw/zinc/19/08/57/1440190857.db2.gz XCWFMFHQGSWHFA-SLVIYJBESA-N 2 1 349.563 3.388 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001752679627 1440199297 /nfs/dbraw/zinc/19/92/97/1440199297.db2.gz APILNSUMABQIQR-GUDVDZBRSA-N 2 1 345.531 3.333 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)CC(C)C ZINC001752702768 1440201761 /nfs/dbraw/zinc/20/17/61/1440201761.db2.gz NDABTJHOPWWMFJ-MVCQKVDPSA-N 2 1 337.552 3.122 20 0 EGADMP CCC[NH+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)CC(C)C ZINC001752702768 1440201762 /nfs/dbraw/zinc/20/17/62/1440201762.db2.gz NDABTJHOPWWMFJ-MVCQKVDPSA-N 2 1 337.552 3.122 20 0 EGADMP CCC[NH+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CC(C)C ZINC001752702768 1440201763 /nfs/dbraw/zinc/20/17/63/1440201763.db2.gz NDABTJHOPWWMFJ-MVCQKVDPSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752706774 1440202707 /nfs/dbraw/zinc/20/27/07/1440202707.db2.gz RFWQFRHEOVDGDD-QUCCMNQESA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@H]2[C@H](CCCN2C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001752706774 1440202708 /nfs/dbraw/zinc/20/27/08/1440202708.db2.gz RFWQFRHEOVDGDD-QUCCMNQESA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001752706774 1440202709 /nfs/dbraw/zinc/20/27/09/1440202709.db2.gz RFWQFRHEOVDGDD-QUCCMNQESA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CCC3CCCC3)CC[C@@H]21 ZINC001752708146 1440203012 /nfs/dbraw/zinc/20/30/12/1440203012.db2.gz RMDVLKQAPIBKIR-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]2C[N@H+](CCC3CCCC3)CC[C@@H]21 ZINC001752708146 1440203013 /nfs/dbraw/zinc/20/30/13/1440203013.db2.gz RMDVLKQAPIBKIR-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]2C[N@@H+](CCC3CCCC3)CC[C@@H]21 ZINC001752708146 1440203014 /nfs/dbraw/zinc/20/30/14/1440203014.db2.gz RMDVLKQAPIBKIR-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001752784115 1440210163 /nfs/dbraw/zinc/21/01/63/1440210163.db2.gz WCPSJTVFGCBCJV-ASIGSXEYSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001752784115 1440210164 /nfs/dbraw/zinc/21/01/64/1440210164.db2.gz WCPSJTVFGCBCJV-ASIGSXEYSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001752784115 1440210165 /nfs/dbraw/zinc/21/01/65/1440210165.db2.gz WCPSJTVFGCBCJV-ASIGSXEYSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001752785558 1440211255 /nfs/dbraw/zinc/21/12/55/1440211255.db2.gz XNHFMSQRUBQLTP-OOFWQKGWSA-N 2 1 335.536 3.045 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001752800013 1440214857 /nfs/dbraw/zinc/21/48/57/1440214857.db2.gz OPZJOTHKVXWLQM-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001752828908 1440224831 /nfs/dbraw/zinc/22/48/31/1440224831.db2.gz KJZQICVOVAVLDB-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001752839233 1440229602 /nfs/dbraw/zinc/22/96/02/1440229602.db2.gz CRIHCWWHAFPPGY-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[NH+](Cc2cccc(C)c2)C1 ZINC001752842352 1440231226 /nfs/dbraw/zinc/23/12/26/1440231226.db2.gz YSUGAXDZTWDUHJ-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC001752842352 1440231227 /nfs/dbraw/zinc/23/12/27/1440231227.db2.gz YSUGAXDZTWDUHJ-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC001752842352 1440231228 /nfs/dbraw/zinc/23/12/28/1440231228.db2.gz YSUGAXDZTWDUHJ-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001753039957 1440276043 /nfs/dbraw/zinc/27/60/43/1440276043.db2.gz NVVGDLKAMZMEOC-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001753039957 1440276044 /nfs/dbraw/zinc/27/60/44/1440276044.db2.gz NVVGDLKAMZMEOC-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)CC1CCC2(CC2)CC1 ZINC001753094771 1440301988 /nfs/dbraw/zinc/30/19/88/1440301988.db2.gz IKDBNUFPXZPPIG-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)CC1CCC2(CC2)CC1 ZINC001753094771 1440301989 /nfs/dbraw/zinc/30/19/89/1440301989.db2.gz IKDBNUFPXZPPIG-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)CC1CCC2(CC2)CC1 ZINC001753094771 1440301990 /nfs/dbraw/zinc/30/19/90/1440301990.db2.gz IKDBNUFPXZPPIG-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001753105899 1440306376 /nfs/dbraw/zinc/30/63/76/1440306376.db2.gz JUDGSKNDFJXVPH-RTBURBONSA-N 2 1 343.515 3.203 20 0 EGADMP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001753115901 1440311364 /nfs/dbraw/zinc/31/13/64/1440311364.db2.gz IMTZPACYYSSSFS-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C)cc1C ZINC001753117004 1440311752 /nfs/dbraw/zinc/31/17/52/1440311752.db2.gz TYSWTVCQHBKLRM-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1C ZINC001753117004 1440311753 /nfs/dbraw/zinc/31/17/53/1440311753.db2.gz TYSWTVCQHBKLRM-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C)cc1C ZINC001753117004 1440311754 /nfs/dbraw/zinc/31/17/54/1440311754.db2.gz TYSWTVCQHBKLRM-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CN(CC[NH2+]CCC1CCCC1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001753222726 1440340196 /nfs/dbraw/zinc/34/01/96/1440340196.db2.gz KZRZNWSBFIJOAH-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]([NH2+]CC1CC1)C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001753277634 1440346585 /nfs/dbraw/zinc/34/65/85/1440346585.db2.gz NRETYPLFRCDSGT-KRWDZBQOSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001753287188 1440349187 /nfs/dbraw/zinc/34/91/87/1440349187.db2.gz NLZUCKLBMMIYIT-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001753287188 1440349188 /nfs/dbraw/zinc/34/91/88/1440349188.db2.gz NLZUCKLBMMIYIT-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001753287188 1440349189 /nfs/dbraw/zinc/34/91/89/1440349189.db2.gz NLZUCKLBMMIYIT-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CCC(C)(C)C)c2ccccc2)CC[N@H+]1C ZINC001753298464 1440353270 /nfs/dbraw/zinc/35/32/70/1440353270.db2.gz IDHPPOBKXSOJGD-QRQLOZEOSA-N 2 1 345.531 3.210 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC(C)(C)CC1 ZINC001753309956 1440356344 /nfs/dbraw/zinc/35/63/44/1440356344.db2.gz YAFOENIBAJDNJO-KDURUIRLSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC(C)(C)CC1 ZINC001753309956 1440356345 /nfs/dbraw/zinc/35/63/45/1440356345.db2.gz YAFOENIBAJDNJO-KDURUIRLSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC(C)(C)CC1 ZINC001753309956 1440356346 /nfs/dbraw/zinc/35/63/46/1440356346.db2.gz YAFOENIBAJDNJO-KDURUIRLSA-N 2 1 349.563 3.220 20 0 EGADMP CCCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001753320061 1440362668 /nfs/dbraw/zinc/36/26/68/1440362668.db2.gz SJWZMPHLKDYXJV-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)CC[N@H+](C)CC)[C@@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001753320061 1440362669 /nfs/dbraw/zinc/36/26/69/1440362669.db2.gz SJWZMPHLKDYXJV-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001753320061 1440362670 /nfs/dbraw/zinc/36/26/70/1440362670.db2.gz SJWZMPHLKDYXJV-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP C[NH+](C)C1(C(=O)NCC[C@@H]2CC[N@@H+](CCC3=CCCCC3)C2)CCC1 ZINC001753332171 1440370212 /nfs/dbraw/zinc/37/02/12/1440370212.db2.gz JJNJJXGXJPGWPO-LJQANCHMSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CC2CCCCCC2)C1 ZINC001753360093 1440382262 /nfs/dbraw/zinc/38/22/62/1440382262.db2.gz PYJKWIMPDPOXAE-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)CC2CCCCCC2)C1 ZINC001753360093 1440382263 /nfs/dbraw/zinc/38/22/63/1440382263.db2.gz PYJKWIMPDPOXAE-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCCC2)C1 ZINC001753360093 1440382264 /nfs/dbraw/zinc/38/22/64/1440382264.db2.gz PYJKWIMPDPOXAE-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC1C[NH+](CC2CCCCC2)C1 ZINC001753406356 1440391981 /nfs/dbraw/zinc/39/19/81/1440391981.db2.gz SIJVLGIBXSYHOH-UHFFFAOYSA-N 2 1 349.563 3.268 20 0 EGADMP CN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001753440191 1440401379 /nfs/dbraw/zinc/40/13/79/1440401379.db2.gz UYEABWDOGGGYNR-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001753440191 1440401380 /nfs/dbraw/zinc/40/13/80/1440401380.db2.gz UYEABWDOGGGYNR-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)CC[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001753440191 1440401381 /nfs/dbraw/zinc/40/13/81/1440401381.db2.gz UYEABWDOGGGYNR-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001753444547 1440402981 /nfs/dbraw/zinc/40/29/81/1440402981.db2.gz SWJBCAOAYKQYGM-PKOBYXMFSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001753444547 1440402982 /nfs/dbraw/zinc/40/29/82/1440402982.db2.gz SWJBCAOAYKQYGM-PKOBYXMFSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001753444547 1440402983 /nfs/dbraw/zinc/40/29/83/1440402983.db2.gz SWJBCAOAYKQYGM-PKOBYXMFSA-N 2 1 345.531 3.258 20 0 EGADMP CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)[NH2+]CC1CCCCC1 ZINC001753488727 1440418783 /nfs/dbraw/zinc/41/87/83/1440418783.db2.gz SDVNLUYHNHVSLJ-RTBURBONSA-N 2 1 337.552 3.314 20 0 EGADMP C[C@H]([NH2+]CC1(NC(=O)C[N@@H+](C)C2CCC2)CCCC1)c1ccccc1 ZINC001753504027 1440424039 /nfs/dbraw/zinc/42/40/39/1440424039.db2.gz BJDXTSAIZBSRBS-KRWDZBQOSA-N 2 1 343.515 3.251 20 0 EGADMP CCC(CC)C[NH2+]C[C@@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@@H]1C ZINC001753532778 1440431474 /nfs/dbraw/zinc/43/14/74/1440431474.db2.gz FIYSZABKDPKXJO-JXFKEZNVSA-N 2 1 348.535 3.282 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@]1(C[NH2+]Cc2ccccc2)CCCC[C@H]1C ZINC001753536035 1440432652 /nfs/dbraw/zinc/43/26/52/1440432652.db2.gz OPXUFXGHFYCHOS-NQIIRXRSSA-N 2 1 345.531 3.183 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001753587356 1440441725 /nfs/dbraw/zinc/44/17/25/1440441725.db2.gz SVXZOIIIOGWOEI-FCGDIQPGSA-N 2 1 337.552 3.027 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC001753670935 1440462085 /nfs/dbraw/zinc/46/20/85/1440462085.db2.gz NWKLWTJMTQTIEZ-IBGZPJMESA-N 2 1 345.531 3.354 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001753673707 1440462718 /nfs/dbraw/zinc/46/27/18/1440462718.db2.gz BALBFPHLRSQYKY-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCCC1 ZINC001753746908 1440481200 /nfs/dbraw/zinc/48/12/00/1440481200.db2.gz FSOYJWRDSBPFRQ-GOSISDBHSA-N 2 1 348.535 3.282 20 0 EGADMP Cc1cccc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)c1 ZINC001753787512 1440488297 /nfs/dbraw/zinc/48/82/97/1440488297.db2.gz GEWZAENVHWGKJR-FQEVSTJZSA-N 2 1 345.531 3.196 20 0 EGADMP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001753831120 1440499633 /nfs/dbraw/zinc/49/96/33/1440499633.db2.gz NFTBPNWRLKCZMR-RBUKOAKNSA-N 2 1 335.536 3.090 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001754045547 1440535041 /nfs/dbraw/zinc/53/50/41/1440535041.db2.gz SPZJFBWCRADLHF-IEBWSBKVSA-N 2 1 331.504 3.059 20 0 EGADMP CCc1ccccc1C[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001754084898 1440540155 /nfs/dbraw/zinc/54/01/55/1440540155.db2.gz PFTBEBGODAYDDU-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP C[C@@H](C[NH2+]Cc1ccc(C(C)(C)C)cc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001754270286 1440561370 /nfs/dbraw/zinc/56/13/70/1440561370.db2.gz VFWVEQCOGDMBEN-INIZCTEOSA-N 2 1 345.531 3.063 20 0 EGADMP C[C@H](C[N@@H+](C)CCC(C)(C)C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001754317429 1440576211 /nfs/dbraw/zinc/57/62/11/1440576211.db2.gz DBHQJUVHFVWNLZ-QGZVFWFLSA-N 2 1 347.547 3.277 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754329349 1440582556 /nfs/dbraw/zinc/58/25/56/1440582556.db2.gz ZWHNEUPRWQHGQL-DLBZAZTESA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1C ZINC001754354177 1440591329 /nfs/dbraw/zinc/59/13/29/1440591329.db2.gz QZSUKYYCGVWCLF-VQTJNVASSA-N 2 1 345.531 3.101 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)[C@H](CC)C1 ZINC001754466794 1440604516 /nfs/dbraw/zinc/60/45/16/1440604516.db2.gz JCAHWGHSMRJHPU-WOJBJXKFSA-N 2 1 345.531 3.054 20 0 EGADMP CCCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001754540249 1440625975 /nfs/dbraw/zinc/62/59/75/1440625975.db2.gz XPQFZNTXKLYRIN-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001754540249 1440625976 /nfs/dbraw/zinc/62/59/76/1440625976.db2.gz XPQFZNTXKLYRIN-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001754540249 1440625977 /nfs/dbraw/zinc/62/59/77/1440625977.db2.gz XPQFZNTXKLYRIN-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@H](C(=O)N(C)C1C[NH+](Cc2cc(C)ccc2C)C1)[NH+](CC)CC ZINC001754581467 1440638757 /nfs/dbraw/zinc/63/87/57/1440638757.db2.gz HMCNZARRTIBYAJ-HXUWFJFHSA-N 2 1 345.531 3.066 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001754681574 1440662659 /nfs/dbraw/zinc/66/26/59/1440662659.db2.gz CSSDCYMNXXJAQO-HXUWFJFHSA-N 2 1 337.552 3.269 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001754686098 1440665048 /nfs/dbraw/zinc/66/50/48/1440665048.db2.gz YUGNZIVYOXTKGB-UYAOXDASSA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001754686098 1440665049 /nfs/dbraw/zinc/66/50/49/1440665049.db2.gz YUGNZIVYOXTKGB-UYAOXDASSA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001754686098 1440665050 /nfs/dbraw/zinc/66/50/50/1440665050.db2.gz YUGNZIVYOXTKGB-UYAOXDASSA-N 2 1 349.494 3.198 20 0 EGADMP CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001754733551 1440681135 /nfs/dbraw/zinc/68/11/35/1440681135.db2.gz MZQBFLRNHMDPMW-CTNGQTDRSA-N 2 1 345.531 3.308 20 0 EGADMP CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001754733551 1440681136 /nfs/dbraw/zinc/68/11/36/1440681136.db2.gz MZQBFLRNHMDPMW-CTNGQTDRSA-N 2 1 345.531 3.308 20 0 EGADMP CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001754733551 1440681137 /nfs/dbraw/zinc/68/11/37/1440681137.db2.gz MZQBFLRNHMDPMW-CTNGQTDRSA-N 2 1 345.531 3.308 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001754734266 1440681556 /nfs/dbraw/zinc/68/15/56/1440681556.db2.gz ULORVTXOHWRYTJ-XJDXJNMNSA-N 2 1 335.536 3.047 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCC(C)(C)C ZINC001754865493 1440702696 /nfs/dbraw/zinc/70/26/96/1440702696.db2.gz MTKHGPOCEHKVIP-GBESFXJTSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC(C)(C)C ZINC001754865493 1440702697 /nfs/dbraw/zinc/70/26/97/1440702697.db2.gz MTKHGPOCEHKVIP-GBESFXJTSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC(C)(C)C ZINC001754865493 1440702698 /nfs/dbraw/zinc/70/26/98/1440702698.db2.gz MTKHGPOCEHKVIP-GBESFXJTSA-N 2 1 349.563 3.362 20 0 EGADMP CC/C=C\CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001754952315 1440715222 /nfs/dbraw/zinc/71/52/22/1440715222.db2.gz YLWQRMDCRBJPKL-HPFJUIBNSA-N 2 1 349.563 3.480 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CC3=CCCCC3)CCC2)C1 ZINC001754985085 1440722342 /nfs/dbraw/zinc/72/23/42/1440722342.db2.gz HTGQYFZOPCBLQS-LJQANCHMSA-N 2 1 347.547 3.237 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001755038074 1440735377 /nfs/dbraw/zinc/73/53/77/1440735377.db2.gz LXXYFDJXARTWJD-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C)([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001755134069 1440757663 /nfs/dbraw/zinc/75/76/63/1440757663.db2.gz MKAOVSNBFWRKSL-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001755168082 1440768149 /nfs/dbraw/zinc/76/81/49/1440768149.db2.gz WWTBCYLPSKNJTE-PVTFFILZSA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C\CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001755193612 1440775783 /nfs/dbraw/zinc/77/57/83/1440775783.db2.gz CLBZONZAIXVUHT-VOFKWLDRSA-N 2 1 347.547 3.284 20 0 EGADMP CC/C=C/CC[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001755197624 1440777738 /nfs/dbraw/zinc/77/77/38/1440777738.db2.gz YNDTXAVSRGMGLU-IPLHWJFFSA-N 2 1 335.536 3.140 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001755201060 1440779684 /nfs/dbraw/zinc/77/96/84/1440779684.db2.gz OYXKTEHJPXROSJ-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP Cc1ccc(C)c(C[NH+](C)C[C@H]2CCCN2C(=O)C[N@H+](C)C(C)C)c1 ZINC001755202513 1440780880 /nfs/dbraw/zinc/78/08/80/1440780880.db2.gz HCARKCYORXZQKI-HXUWFJFHSA-N 2 1 345.531 3.066 20 0 EGADMP Cc1ccc(C)c(C[N@@H+](C)C[C@H]2CCCN2C(=O)C[NH+](C)C(C)C)c1 ZINC001755202513 1440780881 /nfs/dbraw/zinc/78/08/81/1440780881.db2.gz HCARKCYORXZQKI-HXUWFJFHSA-N 2 1 345.531 3.066 20 0 EGADMP Cc1ccc(C)c(C[N@H+](C)C[C@H]2CCCN2C(=O)C[NH+](C)C(C)C)c1 ZINC001755202513 1440780882 /nfs/dbraw/zinc/78/08/82/1440780882.db2.gz HCARKCYORXZQKI-HXUWFJFHSA-N 2 1 345.531 3.066 20 0 EGADMP CN(C(=O)C[N@@H+](C)C1CCC1)C1CCC([NH2+]Cc2ccsc2)CC1 ZINC001755275006 1440798799 /nfs/dbraw/zinc/79/87/99/1440798799.db2.gz OLZWBISRCIRGMF-UHFFFAOYSA-N 2 1 349.544 3.092 20 0 EGADMP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)Cc1ccccc1F ZINC001755318387 1440816913 /nfs/dbraw/zinc/81/69/13/1440816913.db2.gz BFXPJVWYXOMQMT-IRXDYDNUSA-N 2 1 349.494 3.027 20 0 EGADMP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@@H+](C)Cc1ccccc1F ZINC001755318387 1440816914 /nfs/dbraw/zinc/81/69/14/1440816914.db2.gz BFXPJVWYXOMQMT-IRXDYDNUSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001755323979 1440820332 /nfs/dbraw/zinc/82/03/32/1440820332.db2.gz YKPWIRXTVNCEIP-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001755323979 1440820333 /nfs/dbraw/zinc/82/03/33/1440820333.db2.gz YKPWIRXTVNCEIP-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001755323979 1440820334 /nfs/dbraw/zinc/82/03/34/1440820334.db2.gz YKPWIRXTVNCEIP-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP CC(C)(C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCC1)[NH+]1CCCCC1 ZINC001755363577 1440833062 /nfs/dbraw/zinc/83/30/62/1440833062.db2.gz KSQGWIRNRYESNT-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CC1)[NH+]1CCCCCC1 ZINC001755367669 1440835763 /nfs/dbraw/zinc/83/57/63/1440835763.db2.gz HTTKOTBHCGKXSR-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NC[C@H]1CCCCC[N@H+]1CC1CCC1 ZINC001755368988 1440836620 /nfs/dbraw/zinc/83/66/20/1440836620.db2.gz YWUNMGRNTWSETK-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC001755411346 1440846593 /nfs/dbraw/zinc/84/65/93/1440846593.db2.gz JJOAWYKGXCKDQK-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001755414278 1440847958 /nfs/dbraw/zinc/84/79/58/1440847958.db2.gz SXARHOCTCBNWLI-NDZBKKTDSA-N 2 1 337.552 3.146 20 0 EGADMP C[C@H](CCC[NH2+]C/C=C/c1ccccc1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001755507644 1440863184 /nfs/dbraw/zinc/86/31/84/1440863184.db2.gz UFUILNMMLVFCLQ-YONSBBCESA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)[C@@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC1CCCCC1 ZINC001755552712 1440872598 /nfs/dbraw/zinc/87/25/98/1440872598.db2.gz XUOHCPUSJAWJBD-RBUKOAKNSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)[C@H]1C ZINC001755722005 1440907836 /nfs/dbraw/zinc/90/78/36/1440907836.db2.gz DNQKLVXKDTXWDH-IRXDYDNUSA-N 2 1 325.541 3.122 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)[C@H]1C ZINC001755722005 1440907837 /nfs/dbraw/zinc/90/78/37/1440907837.db2.gz DNQKLVXKDTXWDH-IRXDYDNUSA-N 2 1 325.541 3.122 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)[C@H]1C ZINC001755722005 1440907838 /nfs/dbraw/zinc/90/78/38/1440907838.db2.gz DNQKLVXKDTXWDH-IRXDYDNUSA-N 2 1 325.541 3.122 20 0 EGADMP CCc1ccccc1C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]1C ZINC001755722765 1440908194 /nfs/dbraw/zinc/90/81/94/1440908194.db2.gz SYOZJAUVZCMMDF-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001755722765 1440908195 /nfs/dbraw/zinc/90/81/95/1440908195.db2.gz SYOZJAUVZCMMDF-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001755722765 1440908196 /nfs/dbraw/zinc/90/81/96/1440908196.db2.gz SYOZJAUVZCMMDF-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001755724494 1440908928 /nfs/dbraw/zinc/90/89/28/1440908928.db2.gz VXRRLKPDJQVLFY-YSKLNCTFSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C(C)(C)C ZINC001755825455 1440927097 /nfs/dbraw/zinc/92/70/97/1440927097.db2.gz SVICSAOLLCSXDT-IAGOWNOFSA-N 2 1 339.568 3.418 20 0 EGADMP CCC[NH2+]C[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(C)(C)C ZINC001755827515 1440927798 /nfs/dbraw/zinc/92/77/98/1440927798.db2.gz NGRGNPFZHIZJRF-INIZCTEOSA-N 2 1 325.541 3.170 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001755844633 1440932845 /nfs/dbraw/zinc/93/28/45/1440932845.db2.gz CYKQWAIGSKWXKP-IAGOWNOFSA-N 2 1 348.535 3.269 20 0 EGADMP C[NH+](C)CC1CCN(c2[nH+]cnc3c2ccn3Cc2ccccc2)CC1 ZINC001165042456 721946158 /nfs/dbraw/zinc/94/61/58/721946158.db2.gz RWTJNHIHEQEZJI-UHFFFAOYSA-N 2 1 349.482 3.258 20 0 EGADMP Nc1cccc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)[nH+]1 ZINC001164993187 722196067 /nfs/dbraw/zinc/19/60/67/722196067.db2.gz CIYKYEYLQJKNOI-IBGZPJMESA-N 2 1 326.419 3.048 20 0 EGADMP Cc1noc(C2CCC([NH2+]C[C@@H]3CCC[N@H+](CC(C)C)C3)CC2)n1 ZINC000368187043 168321594 /nfs/dbraw/zinc/32/15/94/168321594.db2.gz VPQQMSMHSITOLX-AOCRQIFASA-N 2 1 334.508 3.362 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178700958 529595324 /nfs/dbraw/zinc/59/53/24/529595324.db2.gz KJDLBVDOKONFSE-HOTGVXAUSA-N 2 1 342.487 3.397 20 0 EGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000353079543 283186651 /nfs/dbraw/zinc/18/66/51/283186651.db2.gz JVKZUALVDYNECL-INIZCTEOSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000353079543 283186652 /nfs/dbraw/zinc/18/66/52/283186652.db2.gz JVKZUALVDYNECL-INIZCTEOSA-N 2 1 325.541 3.124 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC000072955696 216331735 /nfs/dbraw/zinc/33/17/35/216331735.db2.gz KIHODMDSUOXBAI-KRWDZBQOSA-N 2 1 343.515 3.019 20 0 EGADMP Cc1ccc([C@H]([NH3+])C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000262640439 245085371 /nfs/dbraw/zinc/08/53/71/245085371.db2.gz IYACNFMAWZUBFP-FQEVSTJZSA-N 2 1 339.483 3.151 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000264153357 246116749 /nfs/dbraw/zinc/11/67/49/246116749.db2.gz ZXIOJXMRGQATIE-AZUAARDMSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261615100 296226970 /nfs/dbraw/zinc/22/69/70/296226970.db2.gz FPKNCEFOSOQPNH-JSGCOSHPSA-N 2 1 328.287 3.034 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261615100 296226973 /nfs/dbraw/zinc/22/69/73/296226973.db2.gz FPKNCEFOSOQPNH-JSGCOSHPSA-N 2 1 328.287 3.034 20 0 EGADMP Cc1oc2ccccc2c1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377634814 169052441 /nfs/dbraw/zinc/05/24/41/169052441.db2.gz YTWSFGXQGNZPOK-GOSISDBHSA-N 2 1 341.499 3.342 20 0 EGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000378429891 169119392 /nfs/dbraw/zinc/11/93/92/169119392.db2.gz LPUIAFHVAFOJNZ-DAYGRLMNSA-N 2 1 329.444 3.447 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000378483107 169128439 /nfs/dbraw/zinc/12/84/39/169128439.db2.gz OJHDDJVNRJOAPV-ALOPSCKCSA-N 2 1 348.491 3.102 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCNC(=O)C2CCC2)cc1 ZINC000090184511 217922951 /nfs/dbraw/zinc/92/29/51/217922951.db2.gz YFGSMHCLTQIBBQ-OAHLLOKOSA-N 2 1 340.471 3.138 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)Cc2cccc(OCCCOC)c2)CC1 ZINC000092165983 218124348 /nfs/dbraw/zinc/12/43/48/218124348.db2.gz PMCHYAMNIRCBSJ-UHFFFAOYSA-N 2 1 334.504 3.408 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(OCCCOC)c2)CC1 ZINC000092165983 218124350 /nfs/dbraw/zinc/12/43/50/218124350.db2.gz PMCHYAMNIRCBSJ-UHFFFAOYSA-N 2 1 334.504 3.408 20 0 EGADMP CC[C@H](C)C[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000093067020 218191862 /nfs/dbraw/zinc/19/18/62/218191862.db2.gz UJUXVYZOVPQEIB-KRWDZBQOSA-N 2 1 334.504 3.312 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000268755761 252205095 /nfs/dbraw/zinc/20/50/95/252205095.db2.gz LPQMBZWPXBBFSD-CZAAIQMYSA-N 2 1 342.458 3.359 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000268806935 252259659 /nfs/dbraw/zinc/25/96/59/252259659.db2.gz JIVOGDJOTLAQIC-UMVBOHGHSA-N 2 1 344.425 3.221 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000268797667 252250377 /nfs/dbraw/zinc/25/03/77/252250377.db2.gz GRZYNSDSIDQRKY-JKSUJKDBSA-N 2 1 344.503 3.351 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000268833789 252283797 /nfs/dbraw/zinc/28/37/97/252283797.db2.gz ARHYHVDERYEFPE-LEWJYISDSA-N 2 1 329.532 3.330 20 0 EGADMP Brc1cccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000246084628 532969036 /nfs/dbraw/zinc/96/90/36/532969036.db2.gz ZDNMXYXVBBIIKN-CABCVRRESA-N 2 1 339.277 3.044 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000248072750 285273965 /nfs/dbraw/zinc/27/39/65/285273965.db2.gz MQIZFJNWHJYANY-HKUYNNGSSA-N 2 1 344.499 3.259 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)C)cc1 ZINC000337583737 285281054 /nfs/dbraw/zinc/28/10/54/285281054.db2.gz QBIGKRWQVVUNFR-FQEVSTJZSA-N 2 1 345.531 3.298 20 0 EGADMP C[C@H](CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)C1CC[NH2+]CC1 ZINC000237555613 141007970 /nfs/dbraw/zinc/00/79/70/141007970.db2.gz ZUJWIPPSXQNVOI-QYZOEREBSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246979315 141046794 /nfs/dbraw/zinc/04/67/94/141046794.db2.gz JYWAEDULMQJBFD-QFBILLFUSA-N 2 1 326.488 3.186 20 0 EGADMP CN(C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000342791261 141148117 /nfs/dbraw/zinc/14/81/17/141148117.db2.gz UCMRLNDRMHAGEG-WFFDWFOESA-N 2 1 349.906 3.026 20 0 EGADMP CN(C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000342791261 141148119 /nfs/dbraw/zinc/14/81/19/141148119.db2.gz UCMRLNDRMHAGEG-WFFDWFOESA-N 2 1 349.906 3.026 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@@H]1CCCOC1 ZINC000344486908 141164073 /nfs/dbraw/zinc/16/40/73/141164073.db2.gz RZDLYNLFKUPKMA-KRWDZBQOSA-N 2 1 328.456 3.428 20 0 EGADMP O[C@]1(CNCc2ccccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000344555954 141172477 /nfs/dbraw/zinc/17/24/77/141172477.db2.gz YLHITECUBASSSX-IBGZPJMESA-N 2 1 330.859 3.067 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)c1OC ZINC000347904542 141213049 /nfs/dbraw/zinc/21/30/49/141213049.db2.gz BNBWTNWIEYMQCD-PKOBYXMFSA-N 2 1 344.499 3.461 20 0 EGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cncc(F)c1 ZINC000350562222 141253904 /nfs/dbraw/zinc/25/39/04/141253904.db2.gz ZJGRRZMZYSVOJL-AZUAARDMSA-N 2 1 327.447 3.393 20 0 EGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1cncc(F)c1 ZINC000350562222 141253907 /nfs/dbraw/zinc/25/39/07/141253907.db2.gz ZJGRRZMZYSVOJL-AZUAARDMSA-N 2 1 327.447 3.393 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000352969023 141280179 /nfs/dbraw/zinc/28/01/79/141280179.db2.gz PQONSVRXVLWKGO-AEFFLSMTSA-N 2 1 332.488 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000352969023 141280181 /nfs/dbraw/zinc/28/01/81/141280181.db2.gz PQONSVRXVLWKGO-AEFFLSMTSA-N 2 1 332.488 3.361 20 0 EGADMP C[NH+](C)C1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000353449196 141298915 /nfs/dbraw/zinc/29/89/15/141298915.db2.gz PREYCAVSAPYDCU-UHFFFAOYSA-N 3 1 329.532 3.156 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@H](C[NH+](CC)CC)C1)[N@@H+](C)Cc1ccccc1 ZINC000354572471 141308461 /nfs/dbraw/zinc/30/84/61/141308461.db2.gz IDYAWSCWTCSIHV-PMACEKPBSA-N 2 1 345.531 3.087 20 0 EGADMP Cc1nc(C)c(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000172774628 144027712 /nfs/dbraw/zinc/02/77/12/144027712.db2.gz PIJHOSNNRJEHLF-OKILXGFUSA-N 2 1 337.533 3.081 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C[C@@H]12 ZINC000351478912 144267255 /nfs/dbraw/zinc/26/72/55/144267255.db2.gz PWAPMIBTAAJSAE-MISYRCLQSA-N 2 1 335.451 3.108 20 0 EGADMP C[C@H](CCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000351495400 144269245 /nfs/dbraw/zinc/26/92/45/144269245.db2.gz TWPUCQDHHRTAFF-MKXGPGLRSA-N 2 1 345.531 3.275 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000351864916 144317502 /nfs/dbraw/zinc/31/75/02/144317502.db2.gz ZSGFMTQEKCNYME-BQFCYCMXSA-N 2 1 337.467 3.350 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000351864916 144317503 /nfs/dbraw/zinc/31/75/03/144317503.db2.gz ZSGFMTQEKCNYME-BQFCYCMXSA-N 2 1 337.467 3.350 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000364315499 144399504 /nfs/dbraw/zinc/39/95/04/144399504.db2.gz PNOFUVODASRKKM-VQTJNVASSA-N 2 1 337.467 3.474 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000364315499 144399505 /nfs/dbraw/zinc/39/95/05/144399505.db2.gz PNOFUVODASRKKM-VQTJNVASSA-N 2 1 337.467 3.474 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1CNC1CC[NH+](Cc2ccccn2)CC1 ZINC000341341782 155241892 /nfs/dbraw/zinc/24/18/92/155241892.db2.gz FQJPIIIGTNACGC-OAQYLSRUSA-N 2 1 344.547 3.290 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC1CC[NH+](Cc2ccccn2)CC1 ZINC000341341782 155241894 /nfs/dbraw/zinc/24/18/94/155241894.db2.gz FQJPIIIGTNACGC-OAQYLSRUSA-N 2 1 344.547 3.290 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414846990 309105394 /nfs/dbraw/zinc/10/53/94/309105394.db2.gz UIJIGFOLGOXPFI-UHFFFAOYSA-N 2 1 326.488 3.299 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000118771534 152152970 /nfs/dbraw/zinc/15/29/70/152152970.db2.gz OKXACYDMTCCBBJ-GOSISDBHSA-N 2 1 348.535 3.269 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+]Cc3cccc4c3OCCO4)C2)cc1 ZINC000192934154 153268322 /nfs/dbraw/zinc/26/83/22/153268322.db2.gz AKEWSRVJHZAUET-GOSISDBHSA-N 2 1 338.451 3.070 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3cccc4c3OCCO4)C2)cc1 ZINC000192934154 153268325 /nfs/dbraw/zinc/26/83/25/153268325.db2.gz AKEWSRVJHZAUET-GOSISDBHSA-N 2 1 338.451 3.070 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192972332 153271166 /nfs/dbraw/zinc/27/11/66/153271166.db2.gz ULAVKXFYUGJBHX-AQXGTKIOSA-N 2 1 329.488 3.386 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192972332 153271171 /nfs/dbraw/zinc/27/11/71/153271171.db2.gz ULAVKXFYUGJBHX-AQXGTKIOSA-N 2 1 329.488 3.386 20 0 EGADMP COc1ccc([C@H]([NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)C(C)C)cc1 ZINC000098144144 286375947 /nfs/dbraw/zinc/37/59/47/286375947.db2.gz AHTFYRXEHCZDIJ-AZUAARDMSA-N 2 1 334.504 3.075 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC(F)F)cc1 ZINC000303226709 154041391 /nfs/dbraw/zinc/04/13/91/154041391.db2.gz POMCQRJLEOFKIU-GOEBONIOSA-N 2 1 342.430 3.031 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000303471732 154046489 /nfs/dbraw/zinc/04/64/89/154046489.db2.gz NTJDKBNIFXNOMI-GOSISDBHSA-N 2 1 345.531 3.007 20 0 EGADMP CC[C@@H](C)C[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000303471732 154046494 /nfs/dbraw/zinc/04/64/94/154046494.db2.gz NTJDKBNIFXNOMI-GOSISDBHSA-N 2 1 345.531 3.007 20 0 EGADMP CC[C@@H](C)C[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000303471732 154046498 /nfs/dbraw/zinc/04/64/98/154046498.db2.gz NTJDKBNIFXNOMI-GOSISDBHSA-N 2 1 345.531 3.007 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CCCC34CCOCC4)C2)cc1 ZINC000310068882 154139101 /nfs/dbraw/zinc/13/91/01/154139101.db2.gz CPRGLIIOIZLCOQ-UXHICEINSA-N 2 1 328.500 3.447 20 0 EGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCC23CCC3)c1 ZINC000337415320 154342326 /nfs/dbraw/zinc/34/23/26/154342326.db2.gz YQJKZRIZHSBMFM-LJQANCHMSA-N 2 1 332.488 3.066 20 0 EGADMP COc1ccccc1C[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594851 286499117 /nfs/dbraw/zinc/49/91/17/286499117.db2.gz FRIDZCKOFYFGEI-SFHVURJKSA-N 2 1 346.515 3.251 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc2[nH]ccc21 ZINC000349039489 156329611 /nfs/dbraw/zinc/32/96/11/156329611.db2.gz YJOBNSNSRREMPW-GOSISDBHSA-N 2 1 328.504 3.016 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000349056780 156337472 /nfs/dbraw/zinc/33/74/72/156337472.db2.gz LVWXJRQXXYYXIH-UXHICEINSA-N 2 1 343.515 3.123 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000349122577 156359455 /nfs/dbraw/zinc/35/94/55/156359455.db2.gz ZENPURMJMIMSKJ-DLBZAZTESA-N 2 1 337.533 3.122 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(Br)cn3)C2)CC1 ZINC000349135253 156363589 /nfs/dbraw/zinc/36/35/89/156363589.db2.gz YCCNKTKTKADBNN-CQSZACIVSA-N 2 1 338.293 3.008 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(Br)cn3)C2)CC1 ZINC000349135253 156363590 /nfs/dbraw/zinc/36/35/90/156363590.db2.gz YCCNKTKTKADBNN-CQSZACIVSA-N 2 1 338.293 3.008 20 0 EGADMP COc1cccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+]2CCCC2)c1 ZINC000248997119 163050633 /nfs/dbraw/zinc/05/06/33/163050633.db2.gz PIWLEYCOOLCDSP-SMLSOGCJSA-N 2 1 343.515 3.047 20 0 EGADMP COc1cccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)N2CCCC2)c1 ZINC000248997119 163050635 /nfs/dbraw/zinc/05/06/35/163050635.db2.gz PIWLEYCOOLCDSP-SMLSOGCJSA-N 2 1 343.515 3.047 20 0 EGADMP COc1cccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N2CCCC2)c1 ZINC000248997119 163050637 /nfs/dbraw/zinc/05/06/37/163050637.db2.gz PIWLEYCOOLCDSP-SMLSOGCJSA-N 2 1 343.515 3.047 20 0 EGADMP COc1ccccc1[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCC1 ZINC000249059412 163053793 /nfs/dbraw/zinc/05/37/93/163053793.db2.gz ZOYALKMGWZNURV-AQDPXUSMSA-N 2 1 343.515 3.047 20 0 EGADMP COc1ccccc1[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCC1 ZINC000249059412 163053796 /nfs/dbraw/zinc/05/37/96/163053796.db2.gz ZOYALKMGWZNURV-AQDPXUSMSA-N 2 1 343.515 3.047 20 0 EGADMP CCOC[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000354332555 166004764 /nfs/dbraw/zinc/00/47/64/166004764.db2.gz IIUCRVZLRZZTOA-RTBURBONSA-N 2 1 349.519 3.298 20 0 EGADMP O[C@]1(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000344506064 164186022 /nfs/dbraw/zinc/18/60/22/164186022.db2.gz AGZKGNAZKZOCME-NJYVYQBISA-N 2 1 328.500 3.182 20 0 EGADMP O[C@]1(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344506064 164186023 /nfs/dbraw/zinc/18/60/23/164186023.db2.gz AGZKGNAZKZOCME-NJYVYQBISA-N 2 1 328.500 3.182 20 0 EGADMP CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C ZINC000345936658 164299704 /nfs/dbraw/zinc/29/97/04/164299704.db2.gz ZBUWWENBPOPVAU-MSOLQXFVSA-N 2 1 343.515 3.227 20 0 EGADMP CC[C@H]1C[C@H](C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000350263735 165024371 /nfs/dbraw/zinc/02/43/71/165024371.db2.gz JUUUMNSIOORRJE-QUCCMNQESA-N 2 1 331.504 3.435 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000350319812 165030169 /nfs/dbraw/zinc/03/01/69/165030169.db2.gz FWIZGHVJMJLVIE-HOCLYGCPSA-N 2 1 326.431 3.459 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000350319812 165030171 /nfs/dbraw/zinc/03/01/71/165030171.db2.gz FWIZGHVJMJLVIE-HOCLYGCPSA-N 2 1 326.431 3.459 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000350746084 165068355 /nfs/dbraw/zinc/06/83/55/165068355.db2.gz HVCNTWHMABSXJP-QGZVFWFLSA-N 2 1 347.478 3.126 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000350746084 165068357 /nfs/dbraw/zinc/06/83/57/165068357.db2.gz HVCNTWHMABSXJP-QGZVFWFLSA-N 2 1 347.478 3.126 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000350746084 165068361 /nfs/dbraw/zinc/06/83/61/165068361.db2.gz HVCNTWHMABSXJP-QGZVFWFLSA-N 2 1 347.478 3.126 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000350953829 165086136 /nfs/dbraw/zinc/08/61/36/165086136.db2.gz XAMJBLPNTNFCMO-HOTGVXAUSA-N 2 1 331.460 3.322 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH+](C)C[C@@H]2C)cc1)C(C)C ZINC000352012475 165192038 /nfs/dbraw/zinc/19/20/38/165192038.db2.gz FOAUAUDTSBQIMU-SJORKVTESA-N 2 1 331.504 3.082 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1)C(C)C ZINC000352012475 165192041 /nfs/dbraw/zinc/19/20/41/165192041.db2.gz FOAUAUDTSBQIMU-SJORKVTESA-N 2 1 331.504 3.082 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1)C(C)C ZINC000352012475 165192045 /nfs/dbraw/zinc/19/20/45/165192045.db2.gz FOAUAUDTSBQIMU-SJORKVTESA-N 2 1 331.504 3.082 20 0 EGADMP CCOc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000352075052 165222070 /nfs/dbraw/zinc/22/20/70/165222070.db2.gz AVELBAGPYOTVKH-PKOBYXMFSA-N 2 1 339.483 3.481 20 0 EGADMP CCOc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000352075052 165222072 /nfs/dbraw/zinc/22/20/72/165222072.db2.gz AVELBAGPYOTVKH-PKOBYXMFSA-N 2 1 339.483 3.481 20 0 EGADMP O=C(NCC[NH+]1CCCCCC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000355389223 166182349 /nfs/dbraw/zinc/18/23/49/166182349.db2.gz VYGXTAMADHJSLR-HXUWFJFHSA-N 2 1 343.515 3.033 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000355661104 166277211 /nfs/dbraw/zinc/27/72/11/166277211.db2.gz RHLPNRCJTMXWBU-RYRKJORJSA-N 2 1 331.504 3.105 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000359120654 167072537 /nfs/dbraw/zinc/07/25/37/167072537.db2.gz YYNGYXQBJMWGQB-LPHOPBHVSA-N 2 1 325.456 3.233 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000359120654 167072539 /nfs/dbraw/zinc/07/25/39/167072539.db2.gz YYNGYXQBJMWGQB-LPHOPBHVSA-N 2 1 325.456 3.233 20 0 EGADMP CC(C)n1ncc2cc(C[N@H+](CCC[NH3+])Cc3ccccc3)cnc21 ZINC000359458874 167162766 /nfs/dbraw/zinc/16/27/66/167162766.db2.gz RHPWULCKXOELIH-UHFFFAOYSA-N 2 1 337.471 3.363 20 0 EGADMP CC(C)n1ncc2cc(C[N@@H+](CCC[NH3+])Cc3ccccc3)cnc21 ZINC000359458874 167162769 /nfs/dbraw/zinc/16/27/69/167162769.db2.gz RHPWULCKXOELIH-UHFFFAOYSA-N 2 1 337.471 3.363 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000360616387 167370591 /nfs/dbraw/zinc/37/05/91/167370591.db2.gz UNBQWPDDXLNEIE-CABCVRRESA-N 2 1 325.460 3.315 20 0 EGADMP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000366246341 168097532 /nfs/dbraw/zinc/09/75/32/168097532.db2.gz DSLTXYMWXMLUKD-KRWDZBQOSA-N 2 1 335.455 3.294 20 0 EGADMP CC(C)c1nccn1CCC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000366726210 168132964 /nfs/dbraw/zinc/13/29/64/168132964.db2.gz WGFPFPFBVZKUFT-SFHVURJKSA-N 2 1 346.519 3.310 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000366726210 168132966 /nfs/dbraw/zinc/13/29/66/168132966.db2.gz WGFPFPFBVZKUFT-SFHVURJKSA-N 2 1 346.519 3.310 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000366726210 168132968 /nfs/dbraw/zinc/13/29/68/168132968.db2.gz WGFPFPFBVZKUFT-SFHVURJKSA-N 2 1 346.519 3.310 20 0 EGADMP COC(=O)c1cccc(Cl)c1CN1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000367134292 168183503 /nfs/dbraw/zinc/18/35/03/168183503.db2.gz WLHDIKHODUDXNM-GFCCVEGCSA-N 2 1 333.819 3.229 20 0 EGADMP CC(C)Oc1cccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000367658228 168255536 /nfs/dbraw/zinc/25/55/36/168255536.db2.gz JHVNAKKYTRDMGT-HXUWFJFHSA-N 2 1 345.531 3.074 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn3cccnc3n2)CC1 ZINC000158938998 225112967 /nfs/dbraw/zinc/11/29/67/225112967.db2.gz SWGSQYOGSGVUMB-QGZVFWFLSA-N 2 1 341.503 3.206 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn3cccnc3n2)CC1 ZINC000158938998 225112973 /nfs/dbraw/zinc/11/29/73/225112973.db2.gz SWGSQYOGSGVUMB-QGZVFWFLSA-N 2 1 341.503 3.206 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000124089949 222373790 /nfs/dbraw/zinc/37/37/90/222373790.db2.gz QOQVVJFNPHFCKV-FQEVSTJZSA-N 2 1 337.467 3.399 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178634935 265332898 /nfs/dbraw/zinc/33/28/98/265332898.db2.gz BDGLXVHAJOKMPP-LVCYWYKZSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178634935 265332901 /nfs/dbraw/zinc/33/29/01/265332901.db2.gz BDGLXVHAJOKMPP-LVCYWYKZSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@@H](CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[N@@H+](C)Cc1ccccc1 ZINC000194066318 266089036 /nfs/dbraw/zinc/08/90/36/266089036.db2.gz GRUXTGRPSZKFPS-MTFMMBMASA-N 2 1 328.500 3.444 20 0 EGADMP CCCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CC)CC1 ZINC000224565303 266197532 /nfs/dbraw/zinc/19/75/32/266197532.db2.gz QHAAZZYVKRUPCR-INIZCTEOSA-N 2 1 327.513 3.144 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3OC)[C@@H](C)C1 ZINC000268880268 266284974 /nfs/dbraw/zinc/28/49/74/266284974.db2.gz HYOODXOECHCIQK-VDGAXYAQSA-N 2 1 346.515 3.409 20 0 EGADMP C[C@@H]([NH2+]CCc1nc2ccccc2n1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273318844 267019416 /nfs/dbraw/zinc/01/94/16/267019416.db2.gz WDUIYBSHNAYGRC-SJORKVTESA-N 2 1 340.515 3.358 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCC(C)(C)C ZINC000274854392 267297631 /nfs/dbraw/zinc/29/76/31/267297631.db2.gz RSXBZQIJLOSUME-HKUYNNGSSA-N 2 1 345.531 3.039 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCC(C)(C)C ZINC000274854392 267297633 /nfs/dbraw/zinc/29/76/33/267297633.db2.gz RSXBZQIJLOSUME-HKUYNNGSSA-N 2 1 345.531 3.039 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000278447373 268015129 /nfs/dbraw/zinc/01/51/29/268015129.db2.gz IBSYNIOOJIMUFF-QZTJIDSGSA-N 2 1 342.487 3.024 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278489796 268024846 /nfs/dbraw/zinc/02/48/46/268024846.db2.gz KXXYZQFMGVCEIB-ZWKOTPCHSA-N 2 1 334.504 3.107 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278489796 268024849 /nfs/dbraw/zinc/02/48/49/268024849.db2.gz KXXYZQFMGVCEIB-ZWKOTPCHSA-N 2 1 334.504 3.107 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)[C@H](C)C1 ZINC000090723356 275153353 /nfs/dbraw/zinc/15/33/53/275153353.db2.gz GVMPRCMYIYSIAG-UTKZUKDTSA-N 2 1 346.515 3.202 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3cc(F)ccc32)CCCO1 ZINC000278687962 275265739 /nfs/dbraw/zinc/26/57/39/275265739.db2.gz UQWQBACVBSNTKN-YJBOKZPZSA-N 2 1 336.451 3.130 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCOc3cc(F)ccc32)CCCO1 ZINC000278687962 275265740 /nfs/dbraw/zinc/26/57/40/275265740.db2.gz UQWQBACVBSNTKN-YJBOKZPZSA-N 2 1 336.451 3.130 20 0 EGADMP COc1cccc(C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C2CC2)c1 ZINC000278797757 275275694 /nfs/dbraw/zinc/27/56/94/275275694.db2.gz YZNHTNLEQICNFR-LAUBAEHRSA-N 2 1 346.515 3.107 20 0 EGADMP COc1cccc(C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C2CC2)c1 ZINC000278797757 275275696 /nfs/dbraw/zinc/27/56/96/275275696.db2.gz YZNHTNLEQICNFR-LAUBAEHRSA-N 2 1 346.515 3.107 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279756010 275356646 /nfs/dbraw/zinc/35/66/46/275356646.db2.gz QWQRBXGWLRUVCB-RXVVDRJESA-N 2 1 326.484 3.017 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279756010 275356648 /nfs/dbraw/zinc/35/66/48/275356648.db2.gz QWQRBXGWLRUVCB-RXVVDRJESA-N 2 1 326.484 3.017 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279756010 275356650 /nfs/dbraw/zinc/35/66/50/275356650.db2.gz QWQRBXGWLRUVCB-RXVVDRJESA-N 2 1 326.484 3.017 20 0 EGADMP COCC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCC1 ZINC000281937272 275590036 /nfs/dbraw/zinc/59/00/36/275590036.db2.gz BHAMHTMIZKAXHZ-UHFFFAOYSA-N 2 1 334.479 3.239 20 0 EGADMP CC1(C)CN(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCCCC2)CCO1 ZINC000372205863 276130948 /nfs/dbraw/zinc/13/09/48/276130948.db2.gz XVIIVUKBDJTASW-RTBURBONSA-N 2 1 349.563 3.017 20 0 EGADMP CC1(C)C[N@@H+](C2(CN[C@@H]3CC[NH+]4CCC[C@@H]4C3)CCCCC2)CCO1 ZINC000372205863 276130950 /nfs/dbraw/zinc/13/09/50/276130950.db2.gz XVIIVUKBDJTASW-RTBURBONSA-N 2 1 349.563 3.017 20 0 EGADMP CC1(C)C[N@H+](C2(CN[C@@H]3CC[NH+]4CCC[C@@H]4C3)CCCCC2)CCO1 ZINC000372205863 276130952 /nfs/dbraw/zinc/13/09/52/276130952.db2.gz XVIIVUKBDJTASW-RTBURBONSA-N 2 1 349.563 3.017 20 0 EGADMP CC1(C)C[NH+](C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCCCC2)CCO1 ZINC000372205863 276130953 /nfs/dbraw/zinc/13/09/53/276130953.db2.gz XVIIVUKBDJTASW-RTBURBONSA-N 2 1 349.563 3.017 20 0 EGADMP CC1(C)C[NH+](C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCCCC2)CCO1 ZINC000372205863 276130956 /nfs/dbraw/zinc/13/09/56/276130956.db2.gz XVIIVUKBDJTASW-RTBURBONSA-N 2 1 349.563 3.017 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000340592794 276252546 /nfs/dbraw/zinc/25/25/46/276252546.db2.gz WCQXELFFEHAHOW-HXUWFJFHSA-N 2 1 345.531 3.404 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000340592794 276252550 /nfs/dbraw/zinc/25/25/50/276252550.db2.gz WCQXELFFEHAHOW-HXUWFJFHSA-N 2 1 345.531 3.404 20 0 EGADMP Cc1ccc2cc(C[N@H+](C)CCN(C)C3CC[NH+](C)CC3)ccc2n1 ZINC000289415897 276335467 /nfs/dbraw/zinc/33/54/67/276335467.db2.gz ILSROIFMQVJLFW-UHFFFAOYSA-N 2 1 340.515 3.001 20 0 EGADMP CC(C)n1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)nn1 ZINC000289443046 276339687 /nfs/dbraw/zinc/33/96/87/276339687.db2.gz WRHGIBWBXWCJSJ-UHFFFAOYSA-N 2 1 341.503 3.203 20 0 EGADMP CC(C)n1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nn1 ZINC000289443046 276339688 /nfs/dbraw/zinc/33/96/88/276339688.db2.gz WRHGIBWBXWCJSJ-UHFFFAOYSA-N 2 1 341.503 3.203 20 0 EGADMP O[C@@H](CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000289477496 276344790 /nfs/dbraw/zinc/34/47/90/276344790.db2.gz QCIABAKIUAHODU-QFIPXVFZSA-N 2 1 338.495 3.407 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2nccc3ccccc32)CC1 ZINC000289538302 276354769 /nfs/dbraw/zinc/35/47/69/276354769.db2.gz BMWLAXBSINQBHD-GOSISDBHSA-N 2 1 340.515 3.303 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1nccc2ccccc21 ZINC000289544877 276355829 /nfs/dbraw/zinc/35/58/29/276355829.db2.gz BUJLPBQAQHUFAO-AEFFLSMTSA-N 2 1 327.472 3.122 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cccc1C ZINC000071920162 276370973 /nfs/dbraw/zinc/37/09/73/276370973.db2.gz DKAWDFZZKLFVBV-GOSISDBHSA-N 2 1 346.519 3.183 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263258852 279384743 /nfs/dbraw/zinc/38/47/43/279384743.db2.gz QSWBEJZHGXWGRS-AZUAARDMSA-N 2 1 331.504 3.051 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000348383863 290021805 /nfs/dbraw/zinc/02/18/05/290021805.db2.gz UEJLTTQHSJZUAQ-TTZDDIAXSA-N 2 1 334.426 3.339 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1OC ZINC000375892674 295140523 /nfs/dbraw/zinc/14/05/23/295140523.db2.gz ZMQUTTMSEBEGIB-BMGDILEWSA-N 2 1 332.488 3.160 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1OC ZINC000375892678 295140779 /nfs/dbraw/zinc/14/07/79/295140779.db2.gz ZMQUTTMSEBEGIB-QGTPRVQTSA-N 2 1 332.488 3.160 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000414168696 309064425 /nfs/dbraw/zinc/06/44/25/309064425.db2.gz APYRVIAVZWZXCB-HZPDHXFCSA-N 2 1 348.487 3.464 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000414170091 309064458 /nfs/dbraw/zinc/06/44/58/309064458.db2.gz BPNJSEODLUSDCB-IRXDYDNUSA-N 2 1 329.488 3.196 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000414172074 309064666 /nfs/dbraw/zinc/06/46/66/309064666.db2.gz DWQXZRZVNDQIIZ-BQJIDLTASA-N 2 1 341.499 3.141 20 0 EGADMP COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc(OC)c1OC ZINC000414175910 309064892 /nfs/dbraw/zinc/06/48/92/309064892.db2.gz ISTMYPXJOHIOSC-CABCVRRESA-N 2 1 336.476 3.095 20 0 EGADMP COCC[NH+]1CCC([NH2+]CC2(c3c(F)cccc3F)CCC2)CC1 ZINC000414243780 309068437 /nfs/dbraw/zinc/06/84/37/309068437.db2.gz RPILLGYDFOBNII-UHFFFAOYSA-N 2 1 338.442 3.087 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000414295156 309071100 /nfs/dbraw/zinc/07/11/00/309071100.db2.gz QTSJLFQESDPSQG-OAHLLOKOSA-N 2 1 330.451 3.141 20 0 EGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000248452789 308003727 /nfs/dbraw/zinc/00/37/27/308003727.db2.gz GORYEUFGWZHCQR-IAGOWNOFSA-N 2 1 348.487 3.154 20 0 EGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000248452789 308003728 /nfs/dbraw/zinc/00/37/28/308003728.db2.gz GORYEUFGWZHCQR-IAGOWNOFSA-N 2 1 348.487 3.154 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000262664096 308065006 /nfs/dbraw/zinc/06/50/06/308065006.db2.gz IGRUWDITJPYPEF-ROUUACIJSA-N 2 1 345.531 3.169 20 0 EGADMP Brc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000269978559 308066651 /nfs/dbraw/zinc/06/66/51/308066651.db2.gz QFZGMDBEHYULIN-NEPJUHHUSA-N 2 1 329.307 3.270 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)c1 ZINC000292897041 308077471 /nfs/dbraw/zinc/07/74/71/308077471.db2.gz GFZAONNFTQNZHV-XLIONFOSSA-N 2 1 329.488 3.048 20 0 EGADMP C[NH+](C)C[C@H]1CCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000293024004 308091056 /nfs/dbraw/zinc/09/10/56/308091056.db2.gz JKIPVBIFMZWEBY-GFCCVEGCSA-N 2 1 334.261 3.385 20 0 EGADMP C[C@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000293259972 308114737 /nfs/dbraw/zinc/11/47/37/308114737.db2.gz GBQCPJUMCYFIOY-SJORKVTESA-N 2 1 331.504 3.304 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000293259972 308114739 /nfs/dbraw/zinc/11/47/39/308114739.db2.gz GBQCPJUMCYFIOY-SJORKVTESA-N 2 1 331.504 3.304 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000293259972 308114740 /nfs/dbraw/zinc/11/47/40/308114740.db2.gz GBQCPJUMCYFIOY-SJORKVTESA-N 2 1 331.504 3.304 20 0 EGADMP CCc1nocc1C[NH+](C)CCCC[N@H+](C)Cc1conc1CC ZINC000293359857 308123676 /nfs/dbraw/zinc/12/36/76/308123676.db2.gz IHPQUGNEMVJGSI-UHFFFAOYSA-N 2 1 334.464 3.131 20 0 EGADMP C[NH+](C)C1(C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CCOCC1 ZINC000293728670 308156499 /nfs/dbraw/zinc/15/64/99/308156499.db2.gz MVWRHFPUQWGYMX-GOSISDBHSA-N 2 1 336.907 3.362 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc(O)c1 ZINC000414535763 309087250 /nfs/dbraw/zinc/08/72/50/309087250.db2.gz YSRIDIJKQCZPTJ-TZIWHRDSSA-N 2 1 340.467 3.019 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc(O)c1 ZINC000414535763 309087251 /nfs/dbraw/zinc/08/72/51/309087251.db2.gz YSRIDIJKQCZPTJ-TZIWHRDSSA-N 2 1 340.467 3.019 20 0 EGADMP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000294736499 308251627 /nfs/dbraw/zinc/25/16/27/308251627.db2.gz GTKAUTCDUKHXJJ-JOCHJYFZSA-N 2 1 338.495 3.498 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000295338969 308316152 /nfs/dbraw/zinc/31/61/52/308316152.db2.gz BEFCSEZCAZDERL-MRXNPFEDSA-N 2 1 339.474 3.076 20 0 EGADMP C[NH2+]CCCNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414714545 309096903 /nfs/dbraw/zinc/09/69/03/309096903.db2.gz QEDCVDXFQSKNRA-UHFFFAOYSA-N 2 1 332.492 3.182 20 0 EGADMP C[N@H+](Cc1cc(Cl)ccc1OC[C@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000414660850 309094147 /nfs/dbraw/zinc/09/41/47/309094147.db2.gz NSGMOCARXINCGF-MRXNPFEDSA-N 2 1 340.895 3.315 20 0 EGADMP C[N@@H+](Cc1cc(Cl)ccc1OC[C@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000414660850 309094148 /nfs/dbraw/zinc/09/41/48/309094148.db2.gz NSGMOCARXINCGF-MRXNPFEDSA-N 2 1 340.895 3.315 20 0 EGADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000414668700 309094724 /nfs/dbraw/zinc/09/47/24/309094724.db2.gz AQKHJBYWLGUZBY-NEPJUHHUSA-N 2 1 344.286 3.252 20 0 EGADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414771653 309099913 /nfs/dbraw/zinc/09/99/13/309099913.db2.gz AFAVZNUCKBBYKV-CVEARBPZSA-N 2 1 328.435 3.037 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2csc(-c3cccs3)n2)CC1 ZINC000414773573 309100121 /nfs/dbraw/zinc/10/01/21/309100121.db2.gz AJBBZHLHLVQTIR-ZBFHGGJFSA-N 2 1 349.525 3.200 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(OC(F)F)c1 ZINC000414776663 309100297 /nfs/dbraw/zinc/10/02/97/309100297.db2.gz HIOCXARPMZEYBZ-UONOGXRCSA-N 2 1 340.414 3.118 20 0 EGADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414782085 309100673 /nfs/dbraw/zinc/10/06/73/309100673.db2.gz NZQKPALMHBNLMK-KBPBESRZSA-N 2 1 332.879 3.048 20 0 EGADMP COc1ccc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)sc2c1 ZINC000414788496 309101332 /nfs/dbraw/zinc/10/13/32/309101332.db2.gz WQAACEUGHILGRV-ZIAGYGMSSA-N 2 1 331.485 3.126 20 0 EGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000414799387 309102221 /nfs/dbraw/zinc/10/22/21/309102221.db2.gz RGCBWNBUVSLBGF-GOSISDBHSA-N 2 1 344.503 3.387 20 0 EGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CC(C)(C)[NH3+])c1 ZINC000414801910 309102400 /nfs/dbraw/zinc/10/24/00/309102400.db2.gz JRJQCRPSXSVVHV-UHFFFAOYSA-N 2 1 330.476 3.141 20 0 EGADMP CC(C)([NH3+])C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414805995 309102498 /nfs/dbraw/zinc/10/24/98/309102498.db2.gz PKYDBKGXRDMGFX-UHFFFAOYSA-N 2 1 334.467 3.425 20 0 EGADMP CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC(F)F ZINC000414810333 309103066 /nfs/dbraw/zinc/10/30/66/309103066.db2.gz HWRVSHYCOGNNJX-PBWFPOADSA-N 2 1 326.387 3.059 20 0 EGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414830436 309104208 /nfs/dbraw/zinc/10/42/08/309104208.db2.gz AZKCUCJJXUFLSM-QWHCGFSZSA-N 2 1 345.409 3.386 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414840508 309104910 /nfs/dbraw/zinc/10/49/10/309104910.db2.gz MJXUOJAXHRWORW-HNAYVOBHSA-N 2 1 331.504 3.463 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]1C1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000333848791 308869696 /nfs/dbraw/zinc/86/96/96/308869696.db2.gz MYDYILSUUBVCKU-QAPCUYQASA-N 2 1 331.847 3.221 20 0 EGADMP CO[C@H]([C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1 ZINC000449635954 310076361 /nfs/dbraw/zinc/07/63/61/310076361.db2.gz YTSHSFXFEYNVIZ-MGPUTAFESA-N 2 1 334.479 3.236 20 0 EGADMP COc1cc2[nH+]ccc(NCCCCn3cc[nH+]c3C)c2cc1OC ZINC000413154982 309018542 /nfs/dbraw/zinc/01/85/42/309018542.db2.gz BFJXCJDFEIUUSQ-UHFFFAOYSA-N 2 1 340.427 3.071 20 0 EGADMP COc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1OCc1cccs1 ZINC000414886650 309107374 /nfs/dbraw/zinc/10/73/74/309107374.db2.gz YPNZLGKPLZEHLM-UHFFFAOYSA-N 2 1 332.469 3.307 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1OCc1ccccc1 ZINC000414889343 309107474 /nfs/dbraw/zinc/10/74/74/309107474.db2.gz LLAZRPFLJMTYHP-SFHVURJKSA-N 2 1 326.440 3.101 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)C2CC([NH3+])C2)c1 ZINC000414902708 309108301 /nfs/dbraw/zinc/10/83/01/309108301.db2.gz HJBQPKVDTGHMHM-UHFFFAOYSA-N 2 1 341.459 3.008 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H](C)CCC[NH3+])c1 ZINC000414916198 309109023 /nfs/dbraw/zinc/10/90/23/309109023.db2.gz OZWOAIRJEWUNLZ-HNNXBMFYSA-N 2 1 343.475 3.304 20 0 EGADMP CSc1cc(Br)ccc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414947982 309110740 /nfs/dbraw/zinc/11/07/40/309110740.db2.gz LPPSTWBMPXYGME-MFKMUULPSA-N 2 1 329.307 3.401 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414947288 309110749 /nfs/dbraw/zinc/11/07/49/309110749.db2.gz KOYUARJDIMOSQH-HNAYVOBHSA-N 2 1 326.488 3.087 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[NH2+]1 ZINC000414961407 309111670 /nfs/dbraw/zinc/11/16/70/309111670.db2.gz ZAPYRMJAZMLWBK-VQIMIIECSA-N 2 1 340.515 3.459 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000414979983 309112663 /nfs/dbraw/zinc/11/26/63/309112663.db2.gz VWNCOUJGBCVKBM-KRWDZBQOSA-N 2 1 332.879 3.312 20 0 EGADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000414986630 309112869 /nfs/dbraw/zinc/11/28/69/309112869.db2.gz XXNNQCCPHWNHAX-QGZVFWFLSA-N 2 1 338.455 3.049 20 0 EGADMP CC(C)(C)n1cc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000415003583 309113769 /nfs/dbraw/zinc/11/37/69/309113769.db2.gz NHTLJRVZGYCLCT-PKOBYXMFSA-N 2 1 344.478 3.260 20 0 EGADMP COc1ccccc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415014637 309114459 /nfs/dbraw/zinc/11/44/59/309114459.db2.gz ZYYVODJCXAJHNH-PKOBYXMFSA-N 2 1 328.431 3.317 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000415026249 309115104 /nfs/dbraw/zinc/11/51/04/309115104.db2.gz SIDFDCHUMFFMKL-IWFBPKFRSA-N 3 1 329.532 3.394 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000415026249 309115105 /nfs/dbraw/zinc/11/51/05/309115105.db2.gz SIDFDCHUMFFMKL-IWFBPKFRSA-N 3 1 329.532 3.394 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415032846 309115468 /nfs/dbraw/zinc/11/54/68/309115468.db2.gz AZQISBPUSNTBCJ-LSDHHAIUSA-N 2 1 340.414 3.261 20 0 EGADMP c1cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc(OCC2CCCCC2)c1 ZINC000415037301 309115753 /nfs/dbraw/zinc/11/57/53/309115753.db2.gz KVWBPGUOQOTOCJ-HXUWFJFHSA-N 2 1 332.488 3.114 20 0 EGADMP CSc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)OCCO2 ZINC000415057417 309117297 /nfs/dbraw/zinc/11/72/97/309117297.db2.gz UDLYCAPFIBCEBQ-GDBMZVCRSA-N 2 1 348.512 3.144 20 0 EGADMP CSc1cc2c(cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)OCCO2 ZINC000415057417 309117298 /nfs/dbraw/zinc/11/72/98/309117298.db2.gz UDLYCAPFIBCEBQ-GDBMZVCRSA-N 2 1 348.512 3.144 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000415082911 309119103 /nfs/dbraw/zinc/11/91/03/309119103.db2.gz MIWLWIXDQMRRER-UKRRQHHQSA-N 2 1 345.409 3.423 20 0 EGADMP COCCOc1cc(C)ccc1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415086473 309119311 /nfs/dbraw/zinc/11/93/11/309119311.db2.gz RREVTEYCWGDVPC-HKUYNNGSSA-N 2 1 334.504 3.421 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@@H]1C[NH3+] ZINC000415122017 309121910 /nfs/dbraw/zinc/12/19/10/309121910.db2.gz HYFWOJWGNHMUOZ-APWZRJJASA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C[C@H]1C[NH3+] ZINC000415135493 309123053 /nfs/dbraw/zinc/12/30/53/309123053.db2.gz WSDPNQIBHRIYGG-SJLPKXTDSA-N 2 1 325.456 3.077 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cc2)cs1 ZINC000415134815 309123056 /nfs/dbraw/zinc/12/30/56/309123056.db2.gz WEVNEFAIAJBSLB-YOEHRIQHSA-N 2 1 345.512 3.447 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cc2)cs1 ZINC000415134807 309123074 /nfs/dbraw/zinc/12/30/74/309123074.db2.gz WEVNEFAIAJBSLB-PBHICJAKSA-N 2 1 345.512 3.447 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000415923428 309149005 /nfs/dbraw/zinc/14/90/05/309149005.db2.gz UZEPZGWXKHYHGF-LJQANCHMSA-N 2 1 346.519 3.428 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000415937047 309149923 /nfs/dbraw/zinc/14/99/23/309149923.db2.gz XCQOEYUBZPVDTA-INIZCTEOSA-N 2 1 332.492 3.040 20 0 EGADMP C[C@@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000416128787 309159980 /nfs/dbraw/zinc/15/99/80/309159980.db2.gz GYCHNAAACRKGOT-ZIFCJYIRSA-N 2 1 331.504 3.059 20 0 EGADMP CO[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)CC(C)C ZINC000417359305 309203006 /nfs/dbraw/zinc/20/30/06/309203006.db2.gz IURIPWMBZQKKEA-FQEVSTJZSA-N 2 1 336.495 3.483 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000419337863 309264844 /nfs/dbraw/zinc/26/48/44/309264844.db2.gz YMYHHMDNTZWRAJ-MSOLQXFVSA-N 2 1 337.552 3.122 20 0 EGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420298917 309280222 /nfs/dbraw/zinc/28/02/22/309280222.db2.gz AGCBTSYDCXBHCT-BMGDILEWSA-N 2 1 342.874 3.275 20 0 EGADMP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@H]1CCC[NH2+]C1 ZINC000420299115 309280259 /nfs/dbraw/zinc/28/02/59/309280259.db2.gz GIAZJUIEDGDQCK-MRXNPFEDSA-N 2 1 344.478 3.470 20 0 EGADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000420302996 309280459 /nfs/dbraw/zinc/28/04/59/309280459.db2.gz KFEBGXBKOOSXEH-GFCCVEGCSA-N 2 1 344.286 3.253 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420304307 309280544 /nfs/dbraw/zinc/28/05/44/309280544.db2.gz IOEJVPXNYBHJDQ-DZGCQCFKSA-N 2 1 330.863 3.275 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000420305709 309280678 /nfs/dbraw/zinc/28/06/78/309280678.db2.gz QABCGIGIBZYVSD-YYWHXJBOSA-N 2 1 326.484 3.227 20 0 EGADMP COc1ccc(CC[N@@H+](CC[C@H]2CC[NH2+]C2)CC(C)C)cc1OC ZINC000420310889 309281099 /nfs/dbraw/zinc/28/10/99/309281099.db2.gz VIESOJSMMCHLJQ-GOSISDBHSA-N 2 1 334.504 3.204 20 0 EGADMP CC[N@@H+](CCOc1ccccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000420312082 309281131 /nfs/dbraw/zinc/28/11/31/309281131.db2.gz OFRIZESSHSCCBN-AWEZNQCLSA-N 2 1 341.293 3.292 20 0 EGADMP COc1ccccc1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCO1 ZINC000420320025 309281752 /nfs/dbraw/zinc/28/17/52/309281752.db2.gz QBSQDMCCGXQUSR-HKUYNNGSSA-N 2 1 332.488 3.066 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329419 309282525 /nfs/dbraw/zinc/28/25/25/309282525.db2.gz GSDDFANRLHYOQS-ZYSHUDEJSA-N 2 1 343.515 3.070 20 0 EGADMP Clc1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420335054 309282837 /nfs/dbraw/zinc/28/28/37/309282837.db2.gz HFAHYHOCYHWJLE-GJZGRUSLSA-N 2 1 346.862 3.212 20 0 EGADMP Clc1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420335052 309282889 /nfs/dbraw/zinc/28/28/89/309282889.db2.gz HFAHYHOCYHWJLE-CABCVRRESA-N 2 1 346.862 3.212 20 0 EGADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340065 309283192 /nfs/dbraw/zinc/28/31/92/309283192.db2.gz MLOKLPFPARTWBL-ZWKOTPCHSA-N 2 1 330.472 3.109 20 0 EGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000420354435 309283760 /nfs/dbraw/zinc/28/37/60/309283760.db2.gz CZNQCATUACNUMK-CYBMUJFWSA-N 2 1 332.275 3.285 20 0 EGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000420354436 309283848 /nfs/dbraw/zinc/28/38/48/309283848.db2.gz CZNQCATUACNUMK-ZDUSSCGKSA-N 2 1 332.275 3.285 20 0 EGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)C1 ZINC000420398521 309286279 /nfs/dbraw/zinc/28/62/79/309286279.db2.gz YYDMIEDJKFJDCU-RDJZCZTQSA-N 2 1 347.484 3.121 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C[C@@H]1C[NH3+] ZINC000420400150 309286482 /nfs/dbraw/zinc/28/64/82/309286482.db2.gz IJAFBWFIZIKTTC-WFASDCNBSA-N 2 1 348.288 3.414 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C[C@@H]1C[NH3+] ZINC000420400150 309286483 /nfs/dbraw/zinc/28/64/83/309286483.db2.gz IJAFBWFIZIKTTC-WFASDCNBSA-N 2 1 348.288 3.414 20 0 EGADMP CCc1cccc(C[N@@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000420982524 309305795 /nfs/dbraw/zinc/30/57/95/309305795.db2.gz PDCFCLLYXGPSLA-UHFFFAOYSA-N 2 1 329.532 3.241 20 0 EGADMP COC1([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CCCCC1 ZINC000421844505 309343005 /nfs/dbraw/zinc/34/30/05/309343005.db2.gz UDKYKWYZNYIZQG-FXAWDEMLSA-N 2 1 346.515 3.081 20 0 EGADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000422625218 309362742 /nfs/dbraw/zinc/36/27/42/309362742.db2.gz AYORSRNILLZLSX-HLLBOEOZSA-N 2 1 325.456 3.084 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000422625218 309362743 /nfs/dbraw/zinc/36/27/43/309362743.db2.gz AYORSRNILLZLSX-HLLBOEOZSA-N 2 1 325.456 3.084 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C[C@@H]1C[NH3+] ZINC000422635515 309363270 /nfs/dbraw/zinc/36/32/70/309363270.db2.gz LMBAJJJQPPXSBZ-ZACQAIPSSA-N 2 1 338.499 3.166 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C[C@@H]1C[NH3+] ZINC000422635515 309363271 /nfs/dbraw/zinc/36/32/71/309363271.db2.gz LMBAJJJQPPXSBZ-ZACQAIPSSA-N 2 1 338.499 3.166 20 0 EGADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)[nH+]1 ZINC000422770057 309367480 /nfs/dbraw/zinc/36/74/80/309367480.db2.gz WHHWGLPPKNFRKT-XUVXKRRUSA-N 3 1 342.531 3.259 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422774358 309367696 /nfs/dbraw/zinc/36/76/96/309367696.db2.gz WSEXBURWTUTDRE-SLYNCCJLSA-N 2 1 343.515 3.096 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422774358 309367697 /nfs/dbraw/zinc/36/76/97/309367697.db2.gz WSEXBURWTUTDRE-SLYNCCJLSA-N 3 1 343.515 3.096 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422774358 309367698 /nfs/dbraw/zinc/36/76/98/309367698.db2.gz WSEXBURWTUTDRE-SLYNCCJLSA-N 3 1 343.515 3.096 20 0 EGADMP COc1cc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])ccc1OCC(F)(F)F ZINC000422823883 309370348 /nfs/dbraw/zinc/37/03/48/309370348.db2.gz FJNGOSPWRSZAEK-KBPBESRZSA-N 2 1 346.393 3.386 20 0 EGADMP c1ccc(CCN2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422845140 309371631 /nfs/dbraw/zinc/37/16/31/309371631.db2.gz NORWUBNGDPMENA-FDFHNCONSA-N 2 1 341.543 3.204 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422845140 309371632 /nfs/dbraw/zinc/37/16/32/309371632.db2.gz NORWUBNGDPMENA-FDFHNCONSA-N 3 1 341.543 3.204 20 0 EGADMP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422880953 309373633 /nfs/dbraw/zinc/37/36/33/309373633.db2.gz XZPYUAVOOGZPLS-BZUAXINKSA-N 2 1 340.414 3.307 20 0 EGADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000422892241 309374578 /nfs/dbraw/zinc/37/45/78/309374578.db2.gz XZMWQARRFIWGGI-IFXJQAMLSA-N 2 1 329.419 3.491 20 0 EGADMP COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c2ccccc2n1 ZINC000423003592 309380288 /nfs/dbraw/zinc/38/02/88/309380288.db2.gz IBVZNCOGEXFODO-QRWLVFNGSA-N 2 1 335.451 3.292 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000423002246 309380295 /nfs/dbraw/zinc/38/02/95/309380295.db2.gz JEYKRPNFUYSFQG-UKAVVXHISA-N 3 1 329.532 3.265 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423003008 309380464 /nfs/dbraw/zinc/38/04/64/309380464.db2.gz KNKORODQQWWIMV-JYRKZWEQSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCN1 ZINC000423003008 309380465 /nfs/dbraw/zinc/38/04/65/309380465.db2.gz KNKORODQQWWIMV-JYRKZWEQSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCN1 ZINC000423003008 309380466 /nfs/dbraw/zinc/38/04/66/309380466.db2.gz KNKORODQQWWIMV-JYRKZWEQSA-N 2 1 329.532 3.407 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423008478 309380524 /nfs/dbraw/zinc/38/05/24/309380524.db2.gz SUUTXZWAVRIPSV-JXFKEZNVSA-N 3 1 327.472 3.129 20 0 EGADMP CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423008478 309380525 /nfs/dbraw/zinc/38/05/25/309380525.db2.gz SUUTXZWAVRIPSV-JXFKEZNVSA-N 2 1 327.472 3.129 20 0 EGADMP C[C@H]1C[C@@H](CC[NH2+]C2CCC(C[NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC000423007839 309380571 /nfs/dbraw/zinc/38/05/71/309380571.db2.gz YQJJFMMATBMVGG-QXWDQEIOSA-N 3 1 329.532 3.394 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423005987 309380593 /nfs/dbraw/zinc/38/05/93/309380593.db2.gz TZODSXTVGKHUQT-BVOGOJNSSA-N 3 1 329.532 3.394 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c2ccccc21 ZINC000423014447 309381039 /nfs/dbraw/zinc/38/10/39/309381039.db2.gz PCKDFTDUNHVNLY-RYGJVYDSSA-N 2 1 337.467 3.032 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)CC[NH2+]2)cc1 ZINC000423030013 309381815 /nfs/dbraw/zinc/38/18/15/309381815.db2.gz SOAXOICXJNIXIF-LCWAXJCOSA-N 2 1 326.484 3.417 20 0 EGADMP COCC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000423042902 309382619 /nfs/dbraw/zinc/38/26/19/309382619.db2.gz MPEHREKRCHHSNY-ZWOKBUDYSA-N 2 1 342.439 3.203 20 0 EGADMP COCC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000423042901 309382670 /nfs/dbraw/zinc/38/26/70/309382670.db2.gz MPEHREKRCHHSNY-SQGPQFPESA-N 2 1 342.439 3.203 20 0 EGADMP Fc1ccc(CCCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423062563 309383784 /nfs/dbraw/zinc/38/37/84/309383784.db2.gz NCZTWIXRTPDSQI-ZCNNSNEGSA-N 2 1 334.479 3.285 20 0 EGADMP COc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c(Cl)c1OC ZINC000423130970 309387476 /nfs/dbraw/zinc/38/74/76/309387476.db2.gz HHRMAJXWAGGPGQ-JSGCOSHPSA-N 2 1 326.868 3.020 20 0 EGADMP CC[C@@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)[C@@H]1CCC[NH2+]1 ZINC000423137774 309387933 /nfs/dbraw/zinc/38/79/33/309387933.db2.gz RMQSAEYMWDYUNI-SJORKVTESA-N 2 1 334.533 3.174 20 0 EGADMP Fc1cc(F)c2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)CCC2 ZINC000423146186 309388309 /nfs/dbraw/zinc/38/83/09/309388309.db2.gz OLGLOZSMMBWWLV-KLIQENQMSA-N 2 1 336.426 3.089 20 0 EGADMP CC1(C)[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000423169753 309389056 /nfs/dbraw/zinc/38/90/56/309389056.db2.gz KKQQQXWVDFSHEG-OMZCGLGVSA-N 2 1 328.500 3.173 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000423214905 309390794 /nfs/dbraw/zinc/39/07/94/309390794.db2.gz LYSNGQSYWJMCIO-AGIUHOORSA-N 2 1 341.293 3.496 20 0 EGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423266715 309393106 /nfs/dbraw/zinc/39/31/06/309393106.db2.gz CBBFFSWQRAZWFY-XCRHUMRWSA-N 2 1 336.451 3.162 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)s1 ZINC000423267541 309393200 /nfs/dbraw/zinc/39/32/00/309393200.db2.gz TXYNYHCHKSDLHH-DOMZBBRYSA-N 2 1 325.522 3.199 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NCC[NH2+]C1CCCCCC1 ZINC000423275641 309393522 /nfs/dbraw/zinc/39/35/22/309393522.db2.gz MBQQSAUGENGRNJ-RXVVDRJESA-N 2 1 344.547 3.194 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ncc(Br)cc1F ZINC000423284620 309393885 /nfs/dbraw/zinc/39/38/85/309393885.db2.gz XDFLEVCRTJNRNH-OPQQBVKSSA-N 2 1 330.245 3.151 20 0 EGADMP CC(C)[C@H]([NH3+])CN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423284081 309394002 /nfs/dbraw/zinc/39/40/02/309394002.db2.gz XPVKZYHOBSPNPJ-DOIPELPJSA-N 3 1 329.532 3.250 20 0 EGADMP Clc1cc(Br)ccc1[C@H]([NH2+]CC1C[NH2+]C1)C1CC1 ZINC000423304487 309394611 /nfs/dbraw/zinc/39/46/11/309394611.db2.gz OAJYHTXVHKBFNS-CQSZACIVSA-N 2 1 329.669 3.363 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423365044 309397203 /nfs/dbraw/zinc/39/72/03/309397203.db2.gz PCCBFKIAICELFH-DOIPELPJSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423365044 309397204 /nfs/dbraw/zinc/39/72/04/309397204.db2.gz PCCBFKIAICELFH-DOIPELPJSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423365044 309397205 /nfs/dbraw/zinc/39/72/05/309397205.db2.gz PCCBFKIAICELFH-DOIPELPJSA-N 3 1 327.516 3.019 20 0 EGADMP Cn1ccnc1[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423438827 309400502 /nfs/dbraw/zinc/40/05/02/309400502.db2.gz NMLKAPBOQPKRCE-KSZLIROESA-N 2 1 344.890 3.141 20 0 EGADMP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCCS2 ZINC000423493929 309403086 /nfs/dbraw/zinc/40/30/86/309403086.db2.gz RJWQPDUBPLOZMX-HIFRSBDPSA-N 2 1 326.893 3.235 20 0 EGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cc1 ZINC000449104544 310037338 /nfs/dbraw/zinc/03/73/38/310037338.db2.gz ABQYWPNHDZZCAO-FQEVSTJZSA-N 2 1 343.515 3.162 20 0 EGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000449123386 310038661 /nfs/dbraw/zinc/03/86/61/310038661.db2.gz CDRDDFZMKOAEIB-UXHICEINSA-N 2 1 346.515 3.387 20 0 EGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000449123386 310038662 /nfs/dbraw/zinc/03/86/62/310038662.db2.gz CDRDDFZMKOAEIB-UXHICEINSA-N 2 1 346.515 3.387 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000449436192 310061958 /nfs/dbraw/zinc/06/19/58/310061958.db2.gz GPHKDKCTNIQZML-INIZCTEOSA-N 2 1 330.394 3.203 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CC3CCC(C)CC3)C2)CC1 ZINC000449496774 310066869 /nfs/dbraw/zinc/06/68/69/310066869.db2.gz JNYVDWDLMPZKRN-MNLRITNHSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CC3CCC(C)CC3)C2)CC1 ZINC000449496774 310066870 /nfs/dbraw/zinc/06/68/70/310066870.db2.gz JNYVDWDLMPZKRN-MNLRITNHSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CC3CCC(C)CC3)C2)CC1 ZINC000449496774 310066871 /nfs/dbraw/zinc/06/68/71/310066871.db2.gz JNYVDWDLMPZKRN-MNLRITNHSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CC3CCC(C)CC3)C2)CC1 ZINC000449496774 310066872 /nfs/dbraw/zinc/06/68/72/310066872.db2.gz JNYVDWDLMPZKRN-MNLRITNHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccncc1 ZINC000453063753 310255525 /nfs/dbraw/zinc/25/55/25/310255525.db2.gz HXNAPKXNBKDLGD-NRFANRHFSA-N 2 1 338.499 3.070 20 0 EGADMP c1ccc2c(c1)CCC([NH2+]CC1([NH+]3CCCC3)CCOCC1)CC2 ZINC000453099933 310257908 /nfs/dbraw/zinc/25/79/08/310257908.db2.gz LTPTVTHRRREYCN-UHFFFAOYSA-N 2 1 328.500 3.169 20 0 EGADMP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453127724 310259621 /nfs/dbraw/zinc/25/96/21/310259621.db2.gz LXCNVQSASNTHMQ-GFOJFJKKSA-N 2 1 330.516 3.428 20 0 EGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H](C3CC3)C3CCC3)C2)cc1 ZINC000453212186 310264415 /nfs/dbraw/zinc/26/44/15/310264415.db2.gz NYFARKVONBMAIY-NHCUHLMSSA-N 2 1 328.500 3.446 20 0 EGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H](C3CC3)C3CCC3)C2)cc1 ZINC000453212186 310264416 /nfs/dbraw/zinc/26/44/16/310264416.db2.gz NYFARKVONBMAIY-NHCUHLMSSA-N 2 1 328.500 3.446 20 0 EGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000453247167 310266516 /nfs/dbraw/zinc/26/65/16/310266516.db2.gz DLDKFYCLYMEANL-HKUYNNGSSA-N 2 1 341.503 3.428 20 0 EGADMP CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453346636 310272172 /nfs/dbraw/zinc/27/21/72/310272172.db2.gz KNVNDLPXSDJKEL-HOTGVXAUSA-N 2 1 330.476 3.255 20 0 EGADMP C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)c1cccc(OCC[NH+](C)C)c1 ZINC000453371726 310273325 /nfs/dbraw/zinc/27/33/25/310273325.db2.gz UUCYPSBIQGPRON-CQSZACIVSA-N 2 1 329.444 3.343 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)CC3 ZINC000453404764 310275226 /nfs/dbraw/zinc/27/52/26/310275226.db2.gz PTRKBWYYRJDXCT-HNNXBMFYSA-N 2 1 341.499 3.498 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCOC(C)(C)C3)sc2C1 ZINC000453574648 310282430 /nfs/dbraw/zinc/28/24/30/310282430.db2.gz BXYPFAGRZKGVOG-AWEZNQCLSA-N 2 1 337.533 3.204 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCOC(C)(C)C3)sc2C1 ZINC000453574648 310282431 /nfs/dbraw/zinc/28/24/31/310282431.db2.gz BXYPFAGRZKGVOG-AWEZNQCLSA-N 2 1 337.533 3.204 20 0 EGADMP C[C@@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCC1 ZINC000457624326 310463808 /nfs/dbraw/zinc/46/38/08/310463808.db2.gz HJWYHTWOYCEODD-QGZVFWFLSA-N 2 1 349.563 3.077 20 0 EGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000474477756 310794310 /nfs/dbraw/zinc/79/43/10/310794310.db2.gz NNTDXYNGFCTYFW-PZJWPPBQSA-N 2 1 330.516 3.488 20 0 EGADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000482644908 310935377 /nfs/dbraw/zinc/93/53/77/310935377.db2.gz UOUPNBCOHDAODZ-IXDOHACOSA-N 2 1 344.421 3.244 20 0 EGADMP CCCCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000484725414 310969157 /nfs/dbraw/zinc/96/91/57/310969157.db2.gz CXWZHCIEIAGAET-XUVXKRRUSA-N 2 1 332.488 3.112 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)cc1)C(C)C ZINC000489400069 311104151 /nfs/dbraw/zinc/10/41/51/311104151.db2.gz OUQMGKKRWMASLP-FQEVSTJZSA-N 2 1 345.531 3.329 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1)C(C)C ZINC000489400069 311104152 /nfs/dbraw/zinc/10/41/52/311104152.db2.gz OUQMGKKRWMASLP-FQEVSTJZSA-N 2 1 345.531 3.329 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1)C(C)C ZINC000489400069 311104154 /nfs/dbraw/zinc/10/41/54/311104154.db2.gz OUQMGKKRWMASLP-FQEVSTJZSA-N 2 1 345.531 3.329 20 0 EGADMP CC1CC[NH+](CCN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000489880337 311123958 /nfs/dbraw/zinc/12/39/58/311123958.db2.gz FDLIGWIWFWZLHO-OAQYLSRUSA-N 2 1 329.532 3.172 20 0 EGADMP CCCOc1c(Cl)cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1OC ZINC000491548650 311184097 /nfs/dbraw/zinc/18/40/97/311184097.db2.gz SIKKOSKHBNKGOV-CYBMUJFWSA-N 2 1 328.884 3.425 20 0 EGADMP C[C@@H](C[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C[NH+](C)C ZINC000491589741 311185859 /nfs/dbraw/zinc/18/58/59/311185859.db2.gz TZYYHYJHUMVGGG-ZDUSSCGKSA-N 2 1 340.393 3.178 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000492695893 311281213 /nfs/dbraw/zinc/28/12/13/311281213.db2.gz KHWCPKOEYQDLME-DLBZAZTESA-N 2 1 337.508 3.064 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000492786681 311290986 /nfs/dbraw/zinc/29/09/86/311290986.db2.gz ARARIHUQZKDROB-JKSUJKDBSA-N 2 1 336.480 3.007 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cncc(F)c1 ZINC000494559268 311489388 /nfs/dbraw/zinc/48/93/88/311489388.db2.gz ULRTTYQYXDATJR-UHFFFAOYSA-N 2 1 331.435 3.231 20 0 EGADMP COc1cc(C)c(C[C@@H](C)[NH2+]CC2([NH+](C)C)CCCC2)cc1OC ZINC000502278964 311961963 /nfs/dbraw/zinc/96/19/63/311961963.db2.gz FYEYIGWFMFCBNX-MRXNPFEDSA-N 2 1 334.504 3.407 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1OC ZINC000503197210 311982857 /nfs/dbraw/zinc/98/28/57/311982857.db2.gz DMHGCLXGNKILPN-SJORKVTESA-N 2 1 347.503 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508722202 312100958 /nfs/dbraw/zinc/10/09/58/312100958.db2.gz RLASPVPVOSFYOW-SESVDKBCSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCCC[C@@H]1CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722202 312100960 /nfs/dbraw/zinc/10/09/60/312100960.db2.gz RLASPVPVOSFYOW-SESVDKBCSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCCC[C@@H]1CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722202 312100961 /nfs/dbraw/zinc/10/09/61/312100961.db2.gz RLASPVPVOSFYOW-SESVDKBCSA-N 2 1 329.532 3.361 20 0 EGADMP CCN1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722202 312100963 /nfs/dbraw/zinc/10/09/63/312100963.db2.gz RLASPVPVOSFYOW-SESVDKBCSA-N 3 1 329.532 3.361 20 0 EGADMP CCN1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722202 312100964 /nfs/dbraw/zinc/10/09/64/312100964.db2.gz RLASPVPVOSFYOW-SESVDKBCSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000512610537 312189997 /nfs/dbraw/zinc/18/99/97/312189997.db2.gz BYQNKVYYFAFFQG-UWHLTILDSA-N 2 1 328.500 3.303 20 0 EGADMP O[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512649840 312190941 /nfs/dbraw/zinc/19/09/41/312190941.db2.gz UYAAOZGSXINMKW-PFAUGDHASA-N 2 1 328.500 3.180 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCC1([NH+](C)C)CCCCCC1)c1ccccc1 ZINC000516767565 312340754 /nfs/dbraw/zinc/34/07/54/312340754.db2.gz GRRJAYUCGCNPSN-GOSISDBHSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3C(C)(C)C)CC2)CC1 ZINC000517169593 312366682 /nfs/dbraw/zinc/36/66/82/312366682.db2.gz AFILQRSDGUVEBV-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528592756 313125785 /nfs/dbraw/zinc/12/57/85/313125785.db2.gz HXLBYGXAZHRZBZ-UHFFFAOYSA-N 2 1 327.476 3.118 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528592756 313125788 /nfs/dbraw/zinc/12/57/88/313125788.db2.gz HXLBYGXAZHRZBZ-UHFFFAOYSA-N 2 1 327.476 3.118 20 0 EGADMP CC(C)[C@H]1CN(CCCc2cncn2C)CC[N@H+]1Cc1ccccc1 ZINC000528640238 313135427 /nfs/dbraw/zinc/13/54/27/313135427.db2.gz LFJXEMRFOMHUKW-OAQYLSRUSA-N 2 1 340.515 3.195 20 0 EGADMP CC(C)[C@H]1C[N@H+](CCCc2cncn2C)CCN1Cc1ccccc1 ZINC000528640238 313135431 /nfs/dbraw/zinc/13/54/31/313135431.db2.gz LFJXEMRFOMHUKW-OAQYLSRUSA-N 2 1 340.515 3.195 20 0 EGADMP CC(C)[C@H]1C[N@@H+](CCCc2cncn2C)CCN1Cc1ccccc1 ZINC000528640238 313135434 /nfs/dbraw/zinc/13/54/34/313135434.db2.gz LFJXEMRFOMHUKW-OAQYLSRUSA-N 2 1 340.515 3.195 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc4cc[nH]c4c3)CC2)CC1 ZINC000529611393 313368684 /nfs/dbraw/zinc/36/86/84/313368684.db2.gz KBRGUCROFBRCDW-UHFFFAOYSA-N 2 1 340.515 3.160 20 0 EGADMP Fc1c(Cl)cccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530242396 313504375 /nfs/dbraw/zinc/50/43/75/313504375.db2.gz UGFCERCREBUXLK-OAHLLOKOSA-N 2 1 326.843 3.070 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccs1 ZINC000531932619 313732384 /nfs/dbraw/zinc/73/23/84/313732384.db2.gz YUMMFCRWRIVLFO-CABCVRRESA-N 2 1 335.542 3.449 20 0 EGADMP CCC[C@H]1C[NH+](CCCCC[N@H+]2CCO[C@@H](CCC)C2)CCO1 ZINC000535378525 314044030 /nfs/dbraw/zinc/04/40/30/314044030.db2.gz OFVFDGOEYTYPEF-OALUTQOASA-N 2 1 326.525 3.159 20 0 EGADMP CC(C)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000537992213 314222610 /nfs/dbraw/zinc/22/26/10/314222610.db2.gz ZPPRDXPHCNKQRM-YHBROIRLSA-N 2 1 343.559 3.388 20 0 EGADMP CC(C)[C@H](CN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000537992213 314222612 /nfs/dbraw/zinc/22/26/12/314222612.db2.gz ZPPRDXPHCNKQRM-YHBROIRLSA-N 2 1 343.559 3.388 20 0 EGADMP CC(C)[C@H](CN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000537992213 314222614 /nfs/dbraw/zinc/22/26/14/314222614.db2.gz ZPPRDXPHCNKQRM-YHBROIRLSA-N 2 1 343.559 3.388 20 0 EGADMP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000537992213 314222616 /nfs/dbraw/zinc/22/26/16/314222616.db2.gz ZPPRDXPHCNKQRM-YHBROIRLSA-N 2 1 343.559 3.388 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](C)CCc3ccccc3)C2)CC1 ZINC000539405792 314312206 /nfs/dbraw/zinc/31/22/06/314312206.db2.gz MVVKHJQZNBPPSN-UNMCSNQZSA-N 2 1 343.559 3.356 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3cccc(F)c3[C@@H]2C)CC1 ZINC000548844640 315054533 /nfs/dbraw/zinc/05/45/33/315054533.db2.gz UXRAANGXDQDNTI-KRWDZBQOSA-N 2 1 333.495 3.161 20 0 EGADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1Oc1ccncc1 ZINC000548904906 315061445 /nfs/dbraw/zinc/06/14/45/315061445.db2.gz DEAPFQUSJOPBMI-OAHLLOKOSA-N 2 1 337.423 3.088 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000550919008 315137918 /nfs/dbraw/zinc/13/79/18/315137918.db2.gz CBHDIGMGMJTNEY-IIDMSEBBSA-N 2 1 348.560 3.372 20 0 EGADMP CC(C)[C@@H](C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC000554071768 315296272 /nfs/dbraw/zinc/29/62/72/315296272.db2.gz OLEAWFFSBSHHJD-OAGGEKHMSA-N 2 1 336.442 3.442 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000554112310 315298748 /nfs/dbraw/zinc/29/87/48/315298748.db2.gz PCCSMCKYMGXREG-JKSUJKDBSA-N 2 1 332.492 3.209 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H](C)C(C)(C)C)CC2)CC1 ZINC000563372233 316009905 /nfs/dbraw/zinc/00/99/05/316009905.db2.gz YYFAQVHOEWVCPZ-INIZCTEOSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCCCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000563759760 316064878 /nfs/dbraw/zinc/06/48/78/316064878.db2.gz UEVSXAHDIBVAND-QUCCMNQESA-N 2 1 326.488 3.306 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCCCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000563759760 316064883 /nfs/dbraw/zinc/06/48/83/316064883.db2.gz UEVSXAHDIBVAND-QUCCMNQESA-N 2 1 326.488 3.306 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000564096010 316112586 /nfs/dbraw/zinc/11/25/86/316112586.db2.gz DAQMFACJGHJLBC-MELADBBJSA-N 2 1 332.410 3.100 20 0 EGADMP Cc1ccc(-c2noc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)n2)cc1 ZINC000564833099 316214294 /nfs/dbraw/zinc/21/42/94/316214294.db2.gz WNJOJSZQNSBFIP-HNNXBMFYSA-N 2 1 326.444 3.009 20 0 EGADMP CCCCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000564969936 316239229 /nfs/dbraw/zinc/23/92/29/316239229.db2.gz GAUYUBXVLLTCOI-ZWKOTPCHSA-N 2 1 332.488 3.306 20 0 EGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000564969936 316239232 /nfs/dbraw/zinc/23/92/32/316239232.db2.gz GAUYUBXVLLTCOI-ZWKOTPCHSA-N 2 1 332.488 3.306 20 0 EGADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)C[C@H]2CC)cc1 ZINC000565974322 316396961 /nfs/dbraw/zinc/39/69/61/316396961.db2.gz UJLHTYDCBAQEHJ-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)C[C@H]2CC)cc1 ZINC000565974322 316396964 /nfs/dbraw/zinc/39/69/64/316396964.db2.gz UJLHTYDCBAQEHJ-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2CC)cc1 ZINC000565974322 316396966 /nfs/dbraw/zinc/39/69/66/316396966.db2.gz UJLHTYDCBAQEHJ-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2CC)cc1 ZINC000565974322 316396969 /nfs/dbraw/zinc/39/69/69/316396969.db2.gz UJLHTYDCBAQEHJ-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]CC[N@H+](C)C2CCCC2)c(C)c1OC ZINC000570872950 317119151 /nfs/dbraw/zinc/11/91/51/317119151.db2.gz QZPNPAKMPDBGHI-HNNXBMFYSA-N 2 1 334.504 3.407 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]CC[N@@H+](C)C2CCCC2)c(C)c1OC ZINC000570872950 317119157 /nfs/dbraw/zinc/11/91/57/317119157.db2.gz QZPNPAKMPDBGHI-HNNXBMFYSA-N 2 1 334.504 3.407 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000178786194 323360338 /nfs/dbraw/zinc/36/03/38/323360338.db2.gz WXEAQTINTHAZCN-CQSZACIVSA-N 2 1 326.444 3.207 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000382749209 324252588 /nfs/dbraw/zinc/25/25/88/324252588.db2.gz YOFLFDQSTYTUQL-RLLQIKCJSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000385799532 324263262 /nfs/dbraw/zinc/26/32/62/324263262.db2.gz DZCDFZUBHWQKLI-APWZRJJASA-N 2 1 338.451 3.416 20 0 EGADMP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]CCCc1c[nH+]cn1C ZINC000398140449 324296234 /nfs/dbraw/zinc/29/62/34/324296234.db2.gz WEJIJEAZZULKPR-HXUWFJFHSA-N 2 1 328.504 3.099 20 0 EGADMP C[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000579372561 325101801 /nfs/dbraw/zinc/10/18/01/325101801.db2.gz QIMMOEZBDACJMY-XJKSGUPXSA-N 2 1 339.911 3.035 20 0 EGADMP COc1ccc([C@@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)cc1OC ZINC000580208579 325218530 /nfs/dbraw/zinc/21/85/30/325218530.db2.gz GQXXLUXMUNAIFB-KRWDZBQOSA-N 2 1 329.444 3.207 20 0 EGADMP COc1ccc([C@@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)cc1OC ZINC000580208579 325218533 /nfs/dbraw/zinc/21/85/33/325218533.db2.gz GQXXLUXMUNAIFB-KRWDZBQOSA-N 2 1 329.444 3.207 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000580332162 325236648 /nfs/dbraw/zinc/23/66/48/325236648.db2.gz HCIBYKHVSNICEM-FXAWDEMLSA-N 2 1 343.515 3.190 20 0 EGADMP CC[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(Cl)cc1 ZINC000580422418 325247659 /nfs/dbraw/zinc/24/76/59/325247659.db2.gz GPJIWUGUKUFVSH-HNNXBMFYSA-N 2 1 333.867 3.166 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CCC2)[C@@H](C)C1 ZINC000353960167 456980720 /nfs/dbraw/zinc/98/07/20/456980720.db2.gz UORRXGMUHXICGW-LSDHHAIUSA-N 2 1 336.442 3.446 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000395007404 457474250 /nfs/dbraw/zinc/47/42/50/457474250.db2.gz IUXAUBDEHDUSAD-GFCCVEGCSA-N 2 1 329.257 3.408 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000395007404 457474259 /nfs/dbraw/zinc/47/42/59/457474259.db2.gz IUXAUBDEHDUSAD-GFCCVEGCSA-N 2 1 329.257 3.408 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC[N@@H+]1C ZINC000245587112 455336516 /nfs/dbraw/zinc/33/65/16/455336516.db2.gz JUQVRNOFAVIEOS-MCIONIFRSA-N 2 1 325.859 3.130 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC[N@H+]1C ZINC000245587112 455336519 /nfs/dbraw/zinc/33/65/19/455336519.db2.gz JUQVRNOFAVIEOS-MCIONIFRSA-N 2 1 325.859 3.130 20 0 EGADMP c1ccc(COc2cccc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)c2)nc1 ZINC000631890076 460589367 /nfs/dbraw/zinc/58/93/67/460589367.db2.gz LZGPKANBJQLHIP-GHTZIAJQSA-N 2 1 337.467 3.235 20 0 EGADMP c1ccc(COc2cccc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)c2)nc1 ZINC000631890077 460589670 /nfs/dbraw/zinc/58/96/70/460589670.db2.gz LZGPKANBJQLHIP-NQIIRXRSSA-N 2 1 337.467 3.235 20 0 EGADMP Cc1ncc(C[NH2+]CCC[NH+]2CCC(C)CC2)n1-c1ccccc1 ZINC000081292535 453856473 /nfs/dbraw/zinc/85/64/73/453856473.db2.gz OFGJTBYOBLLWAT-UHFFFAOYSA-N 2 1 326.488 3.392 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCNc2cccc(Br)c2)[C@@H](C)C1 ZINC000246034438 455416096 /nfs/dbraw/zinc/41/60/96/455416096.db2.gz WJPVEGQXCUASKP-XJKSGUPXSA-N 2 1 340.309 3.181 20 0 EGADMP COc1ccc(Br)cc1C[NH2+]CCCn1cc[nH+]c1C ZINC000069754043 454141372 /nfs/dbraw/zinc/14/13/72/454141372.db2.gz JOGKXPZYRVFSPQ-UHFFFAOYSA-N 2 1 338.249 3.143 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000089669158 454175406 /nfs/dbraw/zinc/17/54/06/454175406.db2.gz JJYZDLZZTSUSQX-ZBFHGGJFSA-N 2 1 330.501 3.068 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000089669477 454175458 /nfs/dbraw/zinc/17/54/58/454175458.db2.gz PKAAOJGSUNCPFC-VYDXJSESSA-N 2 1 344.528 3.456 20 0 EGADMP Cc1nc2ccccc2n1CCC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000119981789 454243765 /nfs/dbraw/zinc/24/37/65/454243765.db2.gz GETZWYDNVQLQHU-INIZCTEOSA-N 2 1 342.487 3.116 20 0 EGADMP CCOc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OC(F)F ZINC000078456490 454255511 /nfs/dbraw/zinc/25/55/11/454255511.db2.gz AOOBBDZVDSBZEM-UHFFFAOYSA-N 2 1 340.414 3.403 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cccc1C ZINC000071920163 454257564 /nfs/dbraw/zinc/25/75/64/454257564.db2.gz DKAWDFZZKLFVBV-SFHVURJKSA-N 2 1 346.519 3.183 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)c(C)n2n1 ZINC000120548700 454316773 /nfs/dbraw/zinc/31/67/73/454316773.db2.gz DJDXQEVRMUTGED-ZDUSSCGKSA-N 2 1 329.492 3.306 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000090586754 454324012 /nfs/dbraw/zinc/32/40/12/454324012.db2.gz WXOXMPJTBXPOQO-IBGZPJMESA-N 2 1 344.547 3.004 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000062426883 454376300 /nfs/dbraw/zinc/37/63/00/454376300.db2.gz HBSUJLRKHOJIEN-HNNXBMFYSA-N 2 1 332.879 3.346 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000062426883 454376304 /nfs/dbraw/zinc/37/63/04/454376304.db2.gz HBSUJLRKHOJIEN-HNNXBMFYSA-N 2 1 332.879 3.346 20 0 EGADMP CC(C)CNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000079303769 454395165 /nfs/dbraw/zinc/39/51/65/454395165.db2.gz QFBNXRVRGUJYTN-MSOLQXFVSA-N 2 1 345.531 3.311 20 0 EGADMP COc1cc(Br)ccc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000097095605 454405338 /nfs/dbraw/zinc/40/53/38/454405338.db2.gz UMBNAJCOBTYIRJ-NSHDSACASA-N 2 1 327.266 3.017 20 0 EGADMP CCN1CC[NH+]([C@H](C)CNc2cc(C)[nH+]c3ccc(F)cc23)CC1 ZINC000121345448 454424157 /nfs/dbraw/zinc/42/41/57/454424157.db2.gz IAHTXYYOJCGQBB-OAHLLOKOSA-N 2 1 330.451 3.120 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000121423678 454433630 /nfs/dbraw/zinc/43/36/30/454433630.db2.gz VEWQYDFAAFIBEO-KGLIPLIRSA-N 2 1 348.878 3.488 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000121433495 454435420 /nfs/dbraw/zinc/43/54/20/454435420.db2.gz MEMZGDRSXYLRJE-UWVAXJGDSA-N 2 1 326.488 3.080 20 0 EGADMP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000091678603 454456315 /nfs/dbraw/zinc/45/63/15/454456315.db2.gz PQJIXJBAGLMACZ-BBRMVZONSA-N 2 1 326.843 3.274 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000091678603 454456321 /nfs/dbraw/zinc/45/63/21/454456321.db2.gz PQJIXJBAGLMACZ-BBRMVZONSA-N 2 1 326.843 3.274 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000091678603 454456326 /nfs/dbraw/zinc/45/63/26/454456326.db2.gz PQJIXJBAGLMACZ-BBRMVZONSA-N 2 1 326.843 3.274 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000091678603 454456331 /nfs/dbraw/zinc/45/63/31/454456331.db2.gz PQJIXJBAGLMACZ-BBRMVZONSA-N 2 1 326.843 3.274 20 0 EGADMP CC[C@@](C)(COc1ncccc1Cl)[NH2+]CCCn1cc[nH+]c1C ZINC000091687888 454458894 /nfs/dbraw/zinc/45/88/94/454458894.db2.gz HRNAXNXMSHFMTR-KRWDZBQOSA-N 2 1 336.867 3.467 20 0 EGADMP Cc1ccc([C@H](CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)N2CCCC2)o1 ZINC000101678526 454480426 /nfs/dbraw/zinc/48/04/26/454480426.db2.gz QQFTVYMXCWGIEN-ATLSCFEFSA-N 2 1 347.503 3.102 20 0 EGADMP Cc1ccc([C@H](CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)[NH+]2CCCC2)o1 ZINC000101678526 454480429 /nfs/dbraw/zinc/48/04/29/454480429.db2.gz QQFTVYMXCWGIEN-ATLSCFEFSA-N 2 1 347.503 3.102 20 0 EGADMP C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101950924 454488229 /nfs/dbraw/zinc/48/82/29/454488229.db2.gz ZHEDRQANLHMOHR-WCIQWLHISA-N 2 1 349.563 3.218 20 0 EGADMP c1c2c(cc3c1OCCC[C@H]3[NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000121891046 454490181 /nfs/dbraw/zinc/49/01/81/454490181.db2.gz DNEMYJSEKTYSLZ-MGPUTAFESA-N 2 1 326.484 3.463 20 0 EGADMP COc1nc2ccccc2cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000092043246 454508060 /nfs/dbraw/zinc/50/80/60/454508060.db2.gz AENVRWFQBPRLIP-LPHOPBHVSA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000092043246 454508063 /nfs/dbraw/zinc/50/80/63/454508063.db2.gz AENVRWFQBPRLIP-LPHOPBHVSA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000092043246 454508068 /nfs/dbraw/zinc/50/80/68/454508068.db2.gz AENVRWFQBPRLIP-LPHOPBHVSA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000092043246 454508072 /nfs/dbraw/zinc/50/80/72/454508072.db2.gz AENVRWFQBPRLIP-LPHOPBHVSA-N 2 1 325.456 3.160 20 0 EGADMP Clc1ccc(C[N@@H+]2CCCN(CC[NH+]3CCCCC3)CC2)cc1 ZINC000122655677 454556167 /nfs/dbraw/zinc/55/61/67/454556167.db2.gz INVZZJNFXTVVHY-UHFFFAOYSA-N 2 1 335.923 3.334 20 0 EGADMP Clc1ccc(C[N@H+]2CCCN(CC[NH+]3CCCCC3)CC2)cc1 ZINC000122655677 454556170 /nfs/dbraw/zinc/55/61/70/454556170.db2.gz INVZZJNFXTVVHY-UHFFFAOYSA-N 2 1 335.923 3.334 20 0 EGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(Cl)o3)CC2)C[C@H](C)O1 ZINC000092586971 454591502 /nfs/dbraw/zinc/59/15/02/454591502.db2.gz YMQZDBSLLKVPCD-KBPBESRZSA-N 2 1 326.868 3.254 20 0 EGADMP COc1cc[nH+]c(N2CCN([C@H](C)c3c(F)cccc3F)CC2)c1 ZINC000104719962 454598167 /nfs/dbraw/zinc/59/81/67/454598167.db2.gz ZPYHQBMUUDJUBM-CYBMUJFWSA-N 2 1 333.382 3.252 20 0 EGADMP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cccc(F)c1 ZINC000134912075 454608216 /nfs/dbraw/zinc/60/82/16/454608216.db2.gz IKJAMQKDANWGOW-DNVCBOLYSA-N 2 1 345.462 3.103 20 0 EGADMP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cccc(F)c1 ZINC000134912075 454608221 /nfs/dbraw/zinc/60/82/21/454608221.db2.gz IKJAMQKDANWGOW-DNVCBOLYSA-N 2 1 345.462 3.103 20 0 EGADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1cccc(F)c1 ZINC000134912075 454608226 /nfs/dbraw/zinc/60/82/26/454608226.db2.gz IKJAMQKDANWGOW-DNVCBOLYSA-N 2 1 345.462 3.103 20 0 EGADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1cccc(F)c1 ZINC000134912075 454608229 /nfs/dbraw/zinc/60/82/29/454608229.db2.gz IKJAMQKDANWGOW-DNVCBOLYSA-N 2 1 345.462 3.103 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000092766657 454629674 /nfs/dbraw/zinc/62/96/74/454629674.db2.gz WBNKLMFWBDROLT-QEJZJMRPSA-N 2 1 325.522 3.164 20 0 EGADMP Nc1ccc(-c2cccc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000634994369 460644726 /nfs/dbraw/zinc/64/47/26/460644726.db2.gz ALWFOEHZIBDWAH-ROUUACIJSA-N 2 1 336.483 3.152 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2nc(C)cc2C)[C@H](C)C1 ZINC000123518116 454646318 /nfs/dbraw/zinc/64/63/18/454646318.db2.gz CBIIHKVJSIIOFP-DNVCBOLYSA-N 2 1 326.488 3.309 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2CCCC[C@H]2CC)CC1 ZINC000052208967 454660585 /nfs/dbraw/zinc/66/05/85/454660585.db2.gz BCZYTQDCSXGSDN-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP Cc1sc2nc(C[NH+]3CCC(CC[NH+](C)C)CC3)nc(N)c2c1C ZINC000093159707 454689704 /nfs/dbraw/zinc/68/97/04/454689704.db2.gz PZTDDLOAALEXTO-UHFFFAOYSA-N 2 1 347.532 3.054 20 0 EGADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(OC)cc1 ZINC000124409170 454728948 /nfs/dbraw/zinc/72/89/48/454728948.db2.gz NFJVVWQMBDBTNT-HXUWFJFHSA-N 2 1 333.520 3.010 20 0 EGADMP COc1ccccc1C[N@H+](CCCn1cc[nH+]c1C)C[C@@H]1CCCO1 ZINC000136364020 454737735 /nfs/dbraw/zinc/73/77/35/454737735.db2.gz PNLZTZVGBNXULF-IBGZPJMESA-N 2 1 343.471 3.271 20 0 EGADMP COc1ccccc1C[N@@H+](CCCn1cc[nH+]c1C)C[C@@H]1CCCO1 ZINC000136364020 454737742 /nfs/dbraw/zinc/73/77/42/454737742.db2.gz PNLZTZVGBNXULF-IBGZPJMESA-N 2 1 343.471 3.271 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000635011578 460653706 /nfs/dbraw/zinc/65/37/06/460653706.db2.gz QYJLOGVNFWHAJC-AVRDEDQJSA-N 3 1 349.522 3.475 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000635011578 460653713 /nfs/dbraw/zinc/65/37/13/460653713.db2.gz QYJLOGVNFWHAJC-AVRDEDQJSA-N 3 1 349.522 3.475 20 0 EGADMP Cc1cccc(C)c1NC(=O)CCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000137587715 454783027 /nfs/dbraw/zinc/78/30/27/454783027.db2.gz LZJLEAFIJCTGEF-LJQANCHMSA-N 2 1 343.515 3.440 20 0 EGADMP Cc1csc(N2CCC([NH2+]C[C@H]3CCC[N@H+](C(C)C)C3)CC2)n1 ZINC000125774154 454845597 /nfs/dbraw/zinc/84/55/97/454845597.db2.gz HXQKBPRHLCGKNA-MRXNPFEDSA-N 2 1 336.549 3.130 20 0 EGADMP CC(C)N(C)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000177426485 454862314 /nfs/dbraw/zinc/86/23/14/454862314.db2.gz VYZDIIVUVNZLDJ-MSOLQXFVSA-N 2 1 345.531 3.263 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCOCC1 ZINC000126162704 454874482 /nfs/dbraw/zinc/87/44/82/454874482.db2.gz RXDCNXRBHUEWHG-MRXNPFEDSA-N 2 1 334.479 3.237 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000154551879 454906650 /nfs/dbraw/zinc/90/66/50/454906650.db2.gz UCUJPLZFFGERBJ-OXJNMPFZSA-N 2 1 333.495 3.066 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c(OCC(F)(F)F)c1 ZINC000167302997 454919296 /nfs/dbraw/zinc/91/92/96/454919296.db2.gz GNJPZGKJDYTBDO-DZGCQCFKSA-N 2 1 330.394 3.366 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c(OCC(F)(F)F)c1 ZINC000167302997 454919299 /nfs/dbraw/zinc/91/92/99/454919299.db2.gz GNJPZGKJDYTBDO-DZGCQCFKSA-N 2 1 330.394 3.366 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CSCCc3ccccc32)C[C@H](C)O1 ZINC000178039581 454929643 /nfs/dbraw/zinc/92/96/43/454929643.db2.gz KAPDSUHAWGLRGJ-FUHIMQAGSA-N 2 1 348.556 3.496 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000151120103 454940927 /nfs/dbraw/zinc/94/09/27/454940927.db2.gz CRGOLICRHGGMCK-IRXDYDNUSA-N 2 1 329.488 3.196 20 0 EGADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114469815 454955306 /nfs/dbraw/zinc/95/53/06/454955306.db2.gz CGGYQRVFRWHDGG-OAQYLSRUSA-N 2 1 345.531 3.305 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000114475820 454956678 /nfs/dbraw/zinc/95/66/78/454956678.db2.gz KTABBDQFKOYRDO-UHFFFAOYSA-N 2 1 335.467 3.208 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000114475820 454956681 /nfs/dbraw/zinc/95/66/81/454956681.db2.gz KTABBDQFKOYRDO-UHFFFAOYSA-N 2 1 335.467 3.208 20 0 EGADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178716082 454969419 /nfs/dbraw/zinc/96/94/19/454969419.db2.gz TZNGYXRKYFPGLE-GJZGRUSLSA-N 2 1 328.460 3.136 20 0 EGADMP CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)CC(C)C ZINC000114725383 454973750 /nfs/dbraw/zinc/97/37/50/454973750.db2.gz HNKVEFMRWMVMFN-UHFFFAOYSA-N 2 1 349.544 3.152 20 0 EGADMP C[NH+](C)CC1CC[NH+](c2ccc(NCC3=CCCOC3)cc2)CC1 ZINC000151376812 454977059 /nfs/dbraw/zinc/97/70/59/454977059.db2.gz AKUSAGQNGBXKEA-UHFFFAOYSA-N 2 1 329.488 3.223 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)[C@H](C)C1 ZINC000127999548 455017119 /nfs/dbraw/zinc/01/71/19/455017119.db2.gz YGMMOKWMEAUPJP-CRAIPNDOSA-N 2 1 332.492 3.036 20 0 EGADMP Brc1ccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000128113765 455026645 /nfs/dbraw/zinc/02/66/45/455026645.db2.gz ZCOUMQSWDNKCGA-HUUCEWRRSA-N 2 1 339.277 3.044 20 0 EGADMP COc1cccc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000179389161 455043561 /nfs/dbraw/zinc/04/35/61/455043561.db2.gz GJJSJPRONNXTEB-UHFFFAOYSA-N 2 1 340.471 3.224 20 0 EGADMP CC(C)[NH+](CCCNC1CC[NH+](Cc2cccnc2)CC1)C(C)C ZINC000155847136 455052753 /nfs/dbraw/zinc/05/27/53/455052753.db2.gz ZLRYKIXBZKVWHX-UHFFFAOYSA-N 2 1 332.536 3.145 20 0 EGADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000152019934 455062408 /nfs/dbraw/zinc/06/24/08/455062408.db2.gz AITMKHNFQJAKBN-FQEVSTJZSA-N 2 1 339.483 3.058 20 0 EGADMP C[C@H](NCC[NH+]1CCC(C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000155998053 455070791 /nfs/dbraw/zinc/07/07/91/455070791.db2.gz HROCCSVKITVFRV-SFHVURJKSA-N 2 1 333.520 3.010 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc(Cl)c1OC ZINC000623654480 460661299 /nfs/dbraw/zinc/66/12/99/460661299.db2.gz AQLDWBGJCVSZKZ-ZDUSSCGKSA-N 2 1 326.868 3.179 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc(Cl)c1OC ZINC000623654480 460661304 /nfs/dbraw/zinc/66/13/04/460661304.db2.gz AQLDWBGJCVSZKZ-ZDUSSCGKSA-N 2 1 326.868 3.179 20 0 EGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000129073522 455096509 /nfs/dbraw/zinc/09/65/09/455096509.db2.gz KJQMWVCPKKZYDY-PBWTXFEYSA-N 2 1 333.495 3.421 20 0 EGADMP CC1(C)[C@@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[C@@H]2CCO[C@@H]21 ZINC000180167242 455143773 /nfs/dbraw/zinc/14/37/73/455143773.db2.gz LGWGMPBKMLWYLR-OLGWUGKESA-N 2 1 340.511 3.300 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000180228719 455150220 /nfs/dbraw/zinc/15/02/20/455150220.db2.gz IMMNANQXJYACEA-MCPWVCTESA-N 2 1 326.843 3.381 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000180228719 455150221 /nfs/dbraw/zinc/15/02/21/455150221.db2.gz IMMNANQXJYACEA-MCPWVCTESA-N 2 1 326.843 3.381 20 0 EGADMP O=C(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1cccc(F)c1 ZINC000157088420 455164154 /nfs/dbraw/zinc/16/41/54/455164154.db2.gz XLOOUEBTGIABRQ-GOSISDBHSA-N 2 1 333.451 3.105 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)s1 ZINC000180407041 455164708 /nfs/dbraw/zinc/16/47/08/455164708.db2.gz DJQMPNYDTKRFGT-ZDUSSCGKSA-N 2 1 325.522 3.164 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC1CC[NH2+]CC1 ZINC000237519464 455191034 /nfs/dbraw/zinc/19/10/34/455191034.db2.gz SVOUPBMETWTWAE-KRWDZBQOSA-N 2 1 343.515 3.067 20 0 EGADMP Cc1nn(C)c2ncc(C[NH2+]CCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc12 ZINC000237680681 455206585 /nfs/dbraw/zinc/20/65/85/455206585.db2.gz OZWNONPLGCTTER-IYBDPMFKSA-N 2 1 343.519 3.124 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000264770701 455280520 /nfs/dbraw/zinc/28/05/20/455280520.db2.gz RAEBKHLLNNVEPN-GOSISDBHSA-N 2 1 346.446 3.412 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)s1 ZINC000181384854 455326753 /nfs/dbraw/zinc/32/67/53/455326753.db2.gz XTOQOVJLGMVNOI-CYBMUJFWSA-N 2 1 337.533 3.165 20 0 EGADMP C[C@H]1CCCN1C(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158977547 455343007 /nfs/dbraw/zinc/34/30/07/455343007.db2.gz DAFZFGGPVLPMCJ-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)NC2CCCC2)CC1 ZINC000159003477 455344855 /nfs/dbraw/zinc/34/48/55/455344855.db2.gz DNJSZCZPOJJRHU-GOSISDBHSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[C@@H](C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1)c1ccccc1 ZINC000245649824 455347753 /nfs/dbraw/zinc/34/77/53/455347753.db2.gz HAMLVPAWUCXOHU-LEWJYISDSA-N 2 1 329.532 3.282 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000246069612 455421411 /nfs/dbraw/zinc/42/14/11/455421411.db2.gz DVAWHFXVBYNVNO-FXAWDEMLSA-N 2 1 341.499 3.461 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000246069612 455421412 /nfs/dbraw/zinc/42/14/12/455421412.db2.gz DVAWHFXVBYNVNO-FXAWDEMLSA-N 2 1 341.499 3.461 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)c1ccccc1 ZINC000246280911 455463709 /nfs/dbraw/zinc/46/37/09/455463709.db2.gz MNSSELGJCOKCQR-AQNXPRMDSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182266349 455477009 /nfs/dbraw/zinc/47/70/09/455477009.db2.gz VGZKJVPYRFQEAH-QGCDCVKKSA-N 2 1 336.479 3.276 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000246366853 455477501 /nfs/dbraw/zinc/47/75/01/455477501.db2.gz IZQURMMKYTYKMZ-DZGCQCFKSA-N 2 1 330.394 3.404 20 0 EGADMP CC(C)COC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247036636 455548949 /nfs/dbraw/zinc/54/89/49/455548949.db2.gz NHJFHSQOBHIQIU-SESVDKBCSA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247036636 455548950 /nfs/dbraw/zinc/54/89/50/455548950.db2.gz NHJFHSQOBHIQIU-SESVDKBCSA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247036636 455548951 /nfs/dbraw/zinc/54/89/51/455548951.db2.gz NHJFHSQOBHIQIU-SESVDKBCSA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247036636 455548952 /nfs/dbraw/zinc/54/89/52/455548952.db2.gz NHJFHSQOBHIQIU-SESVDKBCSA-N 2 1 348.531 3.005 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182646540 455559854 /nfs/dbraw/zinc/55/98/54/455559854.db2.gz QNPIHLBIRZJPER-ULQDDVLXSA-N 2 1 339.524 3.096 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2)[C@H](C)C1 ZINC000247129494 455563494 /nfs/dbraw/zinc/56/34/94/455563494.db2.gz VISQYFNJYVVYNU-HLIPFELVSA-N 2 1 334.504 3.483 20 0 EGADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)C1 ZINC000247231384 455576233 /nfs/dbraw/zinc/57/62/33/455576233.db2.gz YHYVEJUPXMVAEM-GHTZIAJQSA-N 2 1 329.532 3.013 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(OC)c2)[C@H](C)C1 ZINC000247332117 455588861 /nfs/dbraw/zinc/58/88/61/455588861.db2.gz MQPNNBMIWNRHRA-HLIPFELVSA-N 2 1 334.504 3.483 20 0 EGADMP Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc2c[nH+]cn2c1 ZINC000283797417 455595136 /nfs/dbraw/zinc/59/51/36/455595136.db2.gz GNFNEZQFGWSELS-ICSRJNTNSA-N 2 1 346.434 3.091 20 0 EGADMP C[C@@H](N[C@@H](C)C(=O)N1CCCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185705662 455601259 /nfs/dbraw/zinc/60/12/59/455601259.db2.gz JOHLDQXYYIGYRP-FGTMMUONSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185705662 455601263 /nfs/dbraw/zinc/60/12/63/455601263.db2.gz JOHLDQXYYIGYRP-FGTMMUONSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185705662 455601268 /nfs/dbraw/zinc/60/12/68/455601268.db2.gz JOHLDQXYYIGYRP-FGTMMUONSA-N 2 1 335.536 3.020 20 0 EGADMP COc1c(C)cnc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000185737628 455611133 /nfs/dbraw/zinc/61/11/33/455611133.db2.gz CMVDQKRJVLZYAE-IAGOWNOFSA-N 2 1 331.504 3.450 20 0 EGADMP COc1c(C)cnc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000185737628 455611137 /nfs/dbraw/zinc/61/11/37/455611137.db2.gz CMVDQKRJVLZYAE-IAGOWNOFSA-N 2 1 331.504 3.450 20 0 EGADMP COc1ccccc1[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCCC1 ZINC000248022553 455672051 /nfs/dbraw/zinc/67/20/51/455672051.db2.gz OCAPAWGROOCEQG-XEYPJELSSA-N 2 1 345.531 3.150 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)N1CCCC1 ZINC000248022553 455672054 /nfs/dbraw/zinc/67/20/54/455672054.db2.gz OCAPAWGROOCEQG-XEYPJELSSA-N 2 1 345.531 3.150 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)N1CCCC1 ZINC000248022553 455672058 /nfs/dbraw/zinc/67/20/58/455672058.db2.gz OCAPAWGROOCEQG-XEYPJELSSA-N 2 1 345.531 3.150 20 0 EGADMP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000271536371 455675657 /nfs/dbraw/zinc/67/56/57/455675657.db2.gz LCIKLQXBSABCCN-SJLPKXTDSA-N 2 1 334.479 3.237 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)CC1 ZINC000192741475 455682681 /nfs/dbraw/zinc/68/26/81/455682681.db2.gz SOZAFGXUZWRWMZ-CTNGQTDRSA-N 2 1 329.532 3.281 20 0 EGADMP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000268442950 455684815 /nfs/dbraw/zinc/68/48/15/455684815.db2.gz DECNYDRTCXQBHN-YZGWKJHDSA-N 2 1 345.531 3.084 20 0 EGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)C2)C1 ZINC000292737863 455744564 /nfs/dbraw/zinc/74/45/64/455744564.db2.gz GZZUFBSQGAHYQZ-SFHVURJKSA-N 2 1 330.863 3.258 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)C2)C1 ZINC000292737863 455744566 /nfs/dbraw/zinc/74/45/66/455744566.db2.gz GZZUFBSQGAHYQZ-SFHVURJKSA-N 2 1 330.863 3.258 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C2)C1 ZINC000292737863 455744570 /nfs/dbraw/zinc/74/45/70/455744570.db2.gz GZZUFBSQGAHYQZ-SFHVURJKSA-N 2 1 330.863 3.258 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C2)C1 ZINC000292737863 455744575 /nfs/dbraw/zinc/74/45/75/455744575.db2.gz GZZUFBSQGAHYQZ-SFHVURJKSA-N 2 1 330.863 3.258 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000616995206 460693113 /nfs/dbraw/zinc/69/31/13/460693113.db2.gz NAPUBBMUUQOJMD-HKUYNNGSSA-N 2 1 345.531 3.306 20 0 EGADMP COc1ccncc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292779739 455755869 /nfs/dbraw/zinc/75/58/69/455755869.db2.gz TZMVWJOVBYLCJG-VQIMIIECSA-N 2 1 325.456 3.233 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cccc(N2CCCC2=O)c1 ZINC000271789504 455760218 /nfs/dbraw/zinc/76/02/18/455760218.db2.gz JUBPGOACLFOUKF-AEFFLSMTSA-N 2 1 329.488 3.338 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cccc(N2CCCC2=O)c1 ZINC000271789504 455760222 /nfs/dbraw/zinc/76/02/22/455760222.db2.gz JUBPGOACLFOUKF-AEFFLSMTSA-N 2 1 329.488 3.338 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(N2CCOC2=O)cc1 ZINC000271829335 455778687 /nfs/dbraw/zinc/77/86/87/455778687.db2.gz RLBSPPUYHCIWOR-WBVHZDCISA-N 2 1 331.460 3.168 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000269128889 455794301 /nfs/dbraw/zinc/79/43/01/455794301.db2.gz IIKUSSOWMWWPNW-IBGZPJMESA-N 2 1 331.435 3.402 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000269128889 455794306 /nfs/dbraw/zinc/79/43/06/455794306.db2.gz IIKUSSOWMWWPNW-IBGZPJMESA-N 2 1 331.435 3.402 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000285200276 455803652 /nfs/dbraw/zinc/80/36/52/455803652.db2.gz WOESMEHXGXIMSX-GOSISDBHSA-N 2 1 343.515 3.020 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000285200276 455803655 /nfs/dbraw/zinc/80/36/55/455803655.db2.gz WOESMEHXGXIMSX-GOSISDBHSA-N 2 1 343.515 3.020 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000285200276 455803659 /nfs/dbraw/zinc/80/36/59/455803659.db2.gz WOESMEHXGXIMSX-GOSISDBHSA-N 2 1 343.515 3.020 20 0 EGADMP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000252656704 455824822 /nfs/dbraw/zinc/82/48/22/455824822.db2.gz NVJOBGFVNORPKW-IRXDYDNUSA-N 2 1 340.471 3.010 20 0 EGADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000252656704 455824828 /nfs/dbraw/zinc/82/48/28/455824828.db2.gz NVJOBGFVNORPKW-IRXDYDNUSA-N 2 1 340.471 3.010 20 0 EGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCCCCC[NH3+] ZINC000269278668 455826125 /nfs/dbraw/zinc/82/61/25/455826125.db2.gz YYFGAIIELABEIB-FQEVSTJZSA-N 2 1 345.531 3.266 20 0 EGADMP O[C@H](C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000285409137 455839808 /nfs/dbraw/zinc/83/98/08/455839808.db2.gz DABVKKQUFOCKKK-FGZHOGPDSA-N 2 1 336.479 3.318 20 0 EGADMP O[C@H](C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000285409137 455839811 /nfs/dbraw/zinc/83/98/11/455839811.db2.gz DABVKKQUFOCKKK-FGZHOGPDSA-N 2 1 336.479 3.318 20 0 EGADMP O[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000285409137 455839815 /nfs/dbraw/zinc/83/98/15/455839815.db2.gz DABVKKQUFOCKKK-FGZHOGPDSA-N 2 1 336.479 3.318 20 0 EGADMP C[N@@H+](C[C@H](O)Cc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285455730 455848600 /nfs/dbraw/zinc/84/86/00/455848600.db2.gz JLJLSGPTVDNVKV-IUPYZPJSSA-N 2 1 338.495 3.300 20 0 EGADMP C[NH+](C[C@H](O)Cc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285455730 455848604 /nfs/dbraw/zinc/84/86/04/455848604.db2.gz JLJLSGPTVDNVKV-IUPYZPJSSA-N 2 1 338.495 3.300 20 0 EGADMP C[NH+](C[C@H](O)Cc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285455730 455848607 /nfs/dbraw/zinc/84/86/07/455848607.db2.gz JLJLSGPTVDNVKV-IUPYZPJSSA-N 2 1 338.495 3.300 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000272179912 455868708 /nfs/dbraw/zinc/86/87/08/455868708.db2.gz SESOGXAHUGYJPH-UHFFFAOYSA-N 2 1 329.444 3.327 20 0 EGADMP C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000296226870 455885926 /nfs/dbraw/zinc/88/59/26/455885926.db2.gz CCDUKPUAOMDDTO-MRXNPFEDSA-N 2 1 343.515 3.208 20 0 EGADMP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000270233923 455909203 /nfs/dbraw/zinc/90/92/03/455909203.db2.gz BAEITLFWYHIYOX-OAQYLSRUSA-N 2 1 342.458 3.287 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000194985763 455909852 /nfs/dbraw/zinc/90/98/52/455909852.db2.gz WCNXCDILGJDYEJ-SCTDSRPQSA-N 2 1 341.503 3.242 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000194985763 455909856 /nfs/dbraw/zinc/90/98/56/455909856.db2.gz WCNXCDILGJDYEJ-SCTDSRPQSA-N 2 1 341.503 3.242 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000261602469 455911202 /nfs/dbraw/zinc/91/12/02/455911202.db2.gz AKFMVRRDBHECEO-QUCCMNQESA-N 2 1 332.451 3.251 20 0 EGADMP COc1ccc(C[N@@H+](CC2CC[NH2+]CC2)[C@H](C)C2CC2)c(OC)c1 ZINC000261768616 455944748 /nfs/dbraw/zinc/94/47/48/455944748.db2.gz DOJGLKTUHCRGMX-OAHLLOKOSA-N 2 1 332.488 3.304 20 0 EGADMP C[N@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000261939935 455975161 /nfs/dbraw/zinc/97/51/61/455975161.db2.gz DOCBTNUPTPIADK-GOEBONIOSA-N 2 1 339.277 3.204 20 0 EGADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000261939935 455975164 /nfs/dbraw/zinc/97/51/64/455975164.db2.gz DOCBTNUPTPIADK-GOEBONIOSA-N 2 1 339.277 3.204 20 0 EGADMP CC(=O)Nc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000280555381 455998532 /nfs/dbraw/zinc/99/85/32/455998532.db2.gz UOUPRWJIVFKMOS-OYRHEFFESA-N 2 1 349.478 3.209 20 0 EGADMP CC(=O)Nc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000280555381 455998535 /nfs/dbraw/zinc/99/85/35/455998535.db2.gz UOUPRWJIVFKMOS-OYRHEFFESA-N 2 1 349.478 3.209 20 0 EGADMP CC(=O)Nc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000280555381 455998541 /nfs/dbraw/zinc/99/85/41/455998541.db2.gz UOUPRWJIVFKMOS-OYRHEFFESA-N 2 1 349.478 3.209 20 0 EGADMP CC(=O)Nc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000280555381 455998548 /nfs/dbraw/zinc/99/85/48/455998548.db2.gz UOUPRWJIVFKMOS-OYRHEFFESA-N 2 1 349.478 3.209 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)CCC2)c1 ZINC000262132560 456002108 /nfs/dbraw/zinc/00/21/08/456002108.db2.gz OCDZYNWPLPOUCW-APWZRJJASA-N 2 1 332.488 3.051 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000262179754 456008343 /nfs/dbraw/zinc/00/83/43/456008343.db2.gz WLOMAUGRQUMSEO-RYUDHWBXSA-N 2 1 345.256 3.026 20 0 EGADMP Clc1c2ccccc2sc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262455163 456037961 /nfs/dbraw/zinc/03/79/61/456037961.db2.gz ICWVSTOXVAPYTH-CYBMUJFWSA-N 2 1 335.904 3.034 20 0 EGADMP FC(F)(F)c1ccc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)cc1 ZINC000297007497 456089793 /nfs/dbraw/zinc/08/97/93/456089793.db2.gz PKSNKNYLXLEGQK-INIZCTEOSA-N 2 1 328.378 3.078 20 0 EGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000271004665 456093521 /nfs/dbraw/zinc/09/35/21/456093521.db2.gz KWLJSHVKVJASGN-MSOLQXFVSA-N 2 1 326.488 3.293 20 0 EGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000271004665 456093527 /nfs/dbraw/zinc/09/35/27/456093527.db2.gz KWLJSHVKVJASGN-MSOLQXFVSA-N 2 1 326.488 3.293 20 0 EGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000271004665 456093534 /nfs/dbraw/zinc/09/35/34/456093534.db2.gz KWLJSHVKVJASGN-MSOLQXFVSA-N 2 1 326.488 3.293 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000263261025 456117721 /nfs/dbraw/zinc/11/77/21/456117721.db2.gz MJOFRGSCLJEZHD-MJIXASBWSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272986035 456135777 /nfs/dbraw/zinc/13/57/77/456135777.db2.gz PMBLWVNEBJWDOC-CABCVRRESA-N 2 1 349.544 3.193 20 0 EGADMP CC(C)C[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000236703835 456170812 /nfs/dbraw/zinc/17/08/12/456170812.db2.gz QROWAZHOJHNOGT-FQEVSTJZSA-N 2 1 345.531 3.441 20 0 EGADMP FC(F)(F)Oc1ccccc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297350067 456195632 /nfs/dbraw/zinc/19/56/32/456195632.db2.gz FDRCHJCTUBRCKK-UHFFFAOYSA-N 2 1 328.378 3.344 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000273161795 456196642 /nfs/dbraw/zinc/19/66/42/456196642.db2.gz CITYGNZKUJMBCJ-YQVWRLOYSA-N 2 1 345.531 3.322 20 0 EGADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CC2CCOCC2)CC3)cc1 ZINC000342873388 456287624 /nfs/dbraw/zinc/28/76/24/456287624.db2.gz LYBWTPBYFSLMFD-UHFFFAOYSA-N 2 1 328.500 3.401 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2cn3c(n2)CCCC3)C[C@H]1c1ccccc1 ZINC000340176365 456293405 /nfs/dbraw/zinc/29/34/05/456293405.db2.gz WSPWPFAGQZZYLI-ICSRJNTNSA-N 2 1 338.499 3.187 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cn3c(n2)CCCC3)C[C@H]1c1ccccc1 ZINC000340176365 456293407 /nfs/dbraw/zinc/29/34/07/456293407.db2.gz WSPWPFAGQZZYLI-ICSRJNTNSA-N 2 1 338.499 3.187 20 0 EGADMP CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccco1 ZINC000340178936 456294352 /nfs/dbraw/zinc/29/43/52/456294352.db2.gz SRSQAOYYPUFDDK-CEXWTWQISA-N 2 1 327.472 3.307 20 0 EGADMP CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccco1 ZINC000340178936 456294359 /nfs/dbraw/zinc/29/43/59/456294359.db2.gz SRSQAOYYPUFDDK-CEXWTWQISA-N 2 1 327.472 3.307 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccnn3-c3ccc(F)cc3)C2)CC1 ZINC000290354490 456302393 /nfs/dbraw/zinc/30/23/93/456302393.db2.gz GIXDSLSSCQUKEM-QGZVFWFLSA-N 2 1 342.462 3.175 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000290431941 456327062 /nfs/dbraw/zinc/32/70/62/456327062.db2.gz RSUGZGSLYIVNKI-AWEZNQCLSA-N 2 1 333.501 3.326 20 0 EGADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000290456252 456332945 /nfs/dbraw/zinc/33/29/45/456332945.db2.gz MRLDFUADZPAYJK-HIFRSBDPSA-N 2 1 328.378 3.343 20 0 EGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000290456252 456332949 /nfs/dbraw/zinc/33/29/49/456332949.db2.gz MRLDFUADZPAYJK-HIFRSBDPSA-N 2 1 328.378 3.343 20 0 EGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000290456252 456332955 /nfs/dbraw/zinc/33/29/55/456332955.db2.gz MRLDFUADZPAYJK-HIFRSBDPSA-N 2 1 328.378 3.343 20 0 EGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000290456252 456332964 /nfs/dbraw/zinc/33/29/64/456332964.db2.gz MRLDFUADZPAYJK-HIFRSBDPSA-N 2 1 328.378 3.343 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCOC3(C)C)CC2)cs1 ZINC000340240100 456334399 /nfs/dbraw/zinc/33/43/99/456334399.db2.gz RNNANGFCBOQUSM-MRXNPFEDSA-N 2 1 337.533 3.075 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000347776821 456362497 /nfs/dbraw/zinc/36/24/97/456362497.db2.gz LXLPPYHOSJRUCE-HXUWFJFHSA-N 2 1 343.515 3.277 20 0 EGADMP COc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(Br)c1 ZINC000290581971 456372736 /nfs/dbraw/zinc/37/27/36/456372736.db2.gz UQZURXPHKIGNNW-LRDDRELGSA-N 2 1 341.293 3.230 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000290721869 456414118 /nfs/dbraw/zinc/41/41/18/456414118.db2.gz OSLUZWGIICLOAX-LBPRGKRZSA-N 2 1 337.265 3.480 20 0 EGADMP CSC1(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000340398399 456436990 /nfs/dbraw/zinc/43/69/90/456436990.db2.gz ZWUGSHABVBNYNJ-OALUTQOASA-N 3 1 347.572 3.239 20 0 EGADMP CSC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000340398399 456436997 /nfs/dbraw/zinc/43/69/97/456436997.db2.gz ZWUGSHABVBNYNJ-OALUTQOASA-N 3 1 347.572 3.239 20 0 EGADMP c1cc(COc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)ccn1 ZINC000340413322 456444915 /nfs/dbraw/zinc/44/49/15/456444915.db2.gz DAXWCWUOOYVEGB-UXHICEINSA-N 2 1 337.467 3.377 20 0 EGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)CCCO2 ZINC000282267445 456461821 /nfs/dbraw/zinc/46/18/21/456461821.db2.gz KIUXEGYFZFAAGY-LJQANCHMSA-N 2 1 345.531 3.133 20 0 EGADMP CCc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)o1 ZINC000343271525 456498650 /nfs/dbraw/zinc/49/86/50/456498650.db2.gz RIMKLIJGNILFTH-NRFANRHFSA-N 2 1 341.499 3.310 20 0 EGADMP CSCC[C@@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000340534238 456516118 /nfs/dbraw/zinc/51/61/18/456516118.db2.gz KASMUMVGXOJHOB-XBMUEBEBSA-N 2 1 336.545 3.133 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000282466259 456523587 /nfs/dbraw/zinc/52/35/87/456523587.db2.gz OZTAOGZXQYIFLJ-RLLQIKCJSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000282466259 456523595 /nfs/dbraw/zinc/52/35/95/456523595.db2.gz OZTAOGZXQYIFLJ-RLLQIKCJSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000282466259 456523601 /nfs/dbraw/zinc/52/36/01/456523601.db2.gz OZTAOGZXQYIFLJ-RLLQIKCJSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310016806 456578556 /nfs/dbraw/zinc/57/85/56/456578556.db2.gz CFFZQJYQSDDMIJ-YYIAUSFCSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310016806 456578564 /nfs/dbraw/zinc/57/85/64/456578564.db2.gz CFFZQJYQSDDMIJ-YYIAUSFCSA-N 2 1 339.524 3.094 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000310058377 456580279 /nfs/dbraw/zinc/58/02/79/456580279.db2.gz TUAAWHHDSKYGTC-SJORKVTESA-N 2 1 339.524 3.286 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(-c2cnn(C)c2)no1 ZINC000348322246 456622084 /nfs/dbraw/zinc/62/20/84/456622084.db2.gz PMRRFLJBFDZFBY-CRAIPNDOSA-N 2 1 345.491 3.065 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+](C)C)cc1 ZINC000348328796 456626764 /nfs/dbraw/zinc/62/67/64/456626764.db2.gz QDGLKHYNVDDPFH-ZVDOUQERSA-N 2 1 345.531 3.293 20 0 EGADMP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000348328796 456626767 /nfs/dbraw/zinc/62/67/67/456626767.db2.gz QDGLKHYNVDDPFH-ZVDOUQERSA-N 2 1 345.531 3.293 20 0 EGADMP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000348328796 456626771 /nfs/dbraw/zinc/62/67/71/456626771.db2.gz QDGLKHYNVDDPFH-ZVDOUQERSA-N 2 1 345.531 3.293 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cnn(Cc2ccccc2)c1 ZINC000348351347 456642580 /nfs/dbraw/zinc/64/25/80/456642580.db2.gz XWEHVWLTMBYWRN-YLJYHZDGSA-N 2 1 326.488 3.456 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cnn(Cc2ccccc2)c1 ZINC000348351347 456642583 /nfs/dbraw/zinc/64/25/83/456642583.db2.gz XWEHVWLTMBYWRN-YLJYHZDGSA-N 2 1 326.488 3.456 20 0 EGADMP CCCC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000343471125 456644603 /nfs/dbraw/zinc/64/46/03/456644603.db2.gz DQHJYAQEWPDUQM-ROUUACIJSA-N 2 1 345.531 3.379 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NCc2ncnn2C(C)(C)C)cc1 ZINC000282907876 456661714 /nfs/dbraw/zinc/66/17/14/456661714.db2.gz XETVCVBVASIIPL-CQSZACIVSA-N 2 1 338.459 3.378 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000338163882 456677044 /nfs/dbraw/zinc/67/70/44/456677044.db2.gz VWAZZDFHSCFLKQ-MSOLQXFVSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CS1 ZINC000277099468 456681205 /nfs/dbraw/zinc/68/12/05/456681205.db2.gz GXSCYLSKJNDARX-RTBURBONSA-N 2 1 334.529 3.139 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)cc1 ZINC000338179716 456687170 /nfs/dbraw/zinc/68/71/70/456687170.db2.gz DHSQRUVBOWQYTO-IAGOWNOFSA-N 2 1 331.504 3.083 20 0 EGADMP Fc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000338231446 456720657 /nfs/dbraw/zinc/72/06/57/456720657.db2.gz AGNDBBHTVXKJLS-OAQYLSRUSA-N 2 1 340.442 3.435 20 0 EGADMP Cc1ccc2c(C[NH+]3CCC4(CCC[N@H+]4C)CC3)ccc(O)c2n1 ZINC000338290089 456748033 /nfs/dbraw/zinc/74/80/33/456748033.db2.gz UBMLYUAWGLCPSW-UHFFFAOYSA-N 2 1 325.456 3.309 20 0 EGADMP Cc1ccc2c(C[NH+]3CCC4(CCC[N@@H+]4C)CC3)ccc(O)c2n1 ZINC000338290089 456748041 /nfs/dbraw/zinc/74/80/41/456748041.db2.gz UBMLYUAWGLCPSW-UHFFFAOYSA-N 2 1 325.456 3.309 20 0 EGADMP CC[NH+](CC)CCC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000338290853 456749536 /nfs/dbraw/zinc/74/95/36/456749536.db2.gz WFOJBHYSDMSAES-UHFFFAOYSA-N 2 1 341.503 3.383 20 0 EGADMP CCc1ccc2c(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)cc(=O)oc2c1 ZINC000277305608 456770006 /nfs/dbraw/zinc/77/00/06/456770006.db2.gz UJRNLZGXWAMJCP-QGZVFWFLSA-N 2 1 328.456 3.272 20 0 EGADMP CCc1ccc2c(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)cc(=O)oc2c1 ZINC000277305608 456770012 /nfs/dbraw/zinc/77/00/12/456770012.db2.gz UJRNLZGXWAMJCP-QGZVFWFLSA-N 2 1 328.456 3.272 20 0 EGADMP CC[C@H](C[NH2+]Cc1ccc(C)cc1-c1cnn(C)c1)[NH+]1CCCC1 ZINC000338436358 456819539 /nfs/dbraw/zinc/81/95/39/456819539.db2.gz OLRBAAVDMNNKMF-LJQANCHMSA-N 2 1 326.488 3.360 20 0 EGADMP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353681946 456852082 /nfs/dbraw/zinc/85/20/82/456852082.db2.gz NANCEESASCYAAJ-GUSVMJMASA-N 3 1 329.532 3.359 20 0 EGADMP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000353681946 456852088 /nfs/dbraw/zinc/85/20/88/456852088.db2.gz NANCEESASCYAAJ-GUSVMJMASA-N 2 1 329.532 3.359 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc21 ZINC000338776697 456856622 /nfs/dbraw/zinc/85/66/22/456856622.db2.gz LTSMCRHECVYPQW-OHQAAIJDSA-N 2 1 330.472 3.241 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc21 ZINC000338776697 456856624 /nfs/dbraw/zinc/85/66/24/456856624.db2.gz LTSMCRHECVYPQW-OHQAAIJDSA-N 2 1 330.472 3.241 20 0 EGADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc(OCC(F)(F)F)cc3)C2)C1 ZINC000292123026 456860893 /nfs/dbraw/zinc/86/08/93/456860893.db2.gz KJKJUOLBIVNLCU-MRXNPFEDSA-N 2 1 328.378 3.155 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(OCC(F)(F)F)cc3)C2)C1 ZINC000292123026 456860906 /nfs/dbraw/zinc/86/09/06/456860906.db2.gz KJKJUOLBIVNLCU-MRXNPFEDSA-N 2 1 328.378 3.155 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)C2)C1 ZINC000292123026 456860911 /nfs/dbraw/zinc/86/09/11/456860911.db2.gz KJKJUOLBIVNLCU-MRXNPFEDSA-N 2 1 328.378 3.155 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1C ZINC000338948982 456870015 /nfs/dbraw/zinc/87/00/15/456870015.db2.gz PYYMBHQMJYAPTG-ZBFHGGJFSA-N 2 1 332.517 3.453 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1C ZINC000338948982 456870017 /nfs/dbraw/zinc/87/00/17/456870017.db2.gz PYYMBHQMJYAPTG-ZBFHGGJFSA-N 2 1 332.517 3.453 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1C ZINC000338948982 456870019 /nfs/dbraw/zinc/87/00/19/456870019.db2.gz PYYMBHQMJYAPTG-ZBFHGGJFSA-N 2 1 332.517 3.453 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1C ZINC000338948982 456870020 /nfs/dbraw/zinc/87/00/20/456870020.db2.gz PYYMBHQMJYAPTG-ZBFHGGJFSA-N 2 1 332.517 3.453 20 0 EGADMP COCCO[C@H]1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000338955600 456876161 /nfs/dbraw/zinc/87/61/61/456876161.db2.gz GQEGBUWMUJUJMF-FQEVSTJZSA-N 2 1 348.531 3.272 20 0 EGADMP COCCO[C@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000338955600 456876164 /nfs/dbraw/zinc/87/61/64/456876164.db2.gz GQEGBUWMUJUJMF-FQEVSTJZSA-N 2 1 348.531 3.272 20 0 EGADMP COCCO[C@H]1CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000338955600 456876167 /nfs/dbraw/zinc/87/61/67/456876167.db2.gz GQEGBUWMUJUJMF-FQEVSTJZSA-N 2 1 348.531 3.272 20 0 EGADMP COCCO[C@H]1CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000338955600 456876168 /nfs/dbraw/zinc/87/61/68/456876168.db2.gz GQEGBUWMUJUJMF-FQEVSTJZSA-N 2 1 348.531 3.272 20 0 EGADMP C[C@]12CCCN1C[C@H](c1noc([C@H]3CCC[N@H+]3C3CCCC3)n1)OC2 ZINC000329574085 456910603 /nfs/dbraw/zinc/91/06/03/456910603.db2.gz JOWMFONNRSMGAT-GPMSIDNRSA-N 2 1 346.475 3.075 20 0 EGADMP CC[N@H+](CC(=O)N[C@@H](CC(C)C)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000345190393 456960170 /nfs/dbraw/zinc/96/01/70/456960170.db2.gz PCNJDIDGSDWHLR-PMACEKPBSA-N 2 1 345.531 3.354 20 0 EGADMP CC[N@@H+](CC(=O)N[C@@H](CC(C)C)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000345190393 456960176 /nfs/dbraw/zinc/96/01/76/456960176.db2.gz PCNJDIDGSDWHLR-PMACEKPBSA-N 2 1 345.531 3.354 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)CCCn1ccnc1 ZINC000349386979 456961015 /nfs/dbraw/zinc/96/10/15/456961015.db2.gz TVTCYJPFHJORAI-UHFFFAOYSA-N 2 1 341.434 3.347 20 0 EGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(-c2cnn(C)c2)s1 ZINC000349411827 456964348 /nfs/dbraw/zinc/96/43/48/456964348.db2.gz BBZPQYNXUAIYFW-UHFFFAOYSA-N 2 1 332.517 3.456 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(-c2cnn(C)c2)s1 ZINC000349411827 456964351 /nfs/dbraw/zinc/96/43/51/456964351.db2.gz BBZPQYNXUAIYFW-UHFFFAOYSA-N 2 1 332.517 3.456 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CC)C[C@H]2C)cc1 ZINC000341839346 456966389 /nfs/dbraw/zinc/96/63/89/456966389.db2.gz JJVGGHAFPGPOBN-QGZVFWFLSA-N 2 1 331.504 3.085 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCOCC1 ZINC000341907411 456995494 /nfs/dbraw/zinc/99/54/94/456995494.db2.gz WXMURBNYFDOQHA-RTWAWAEBSA-N 2 1 346.515 3.072 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCOCC1 ZINC000341907411 456995496 /nfs/dbraw/zinc/99/54/96/456995496.db2.gz WXMURBNYFDOQHA-RTWAWAEBSA-N 2 1 346.515 3.072 20 0 EGADMP Cc1cc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)ccc1F ZINC000354034529 457023952 /nfs/dbraw/zinc/02/39/52/457023952.db2.gz RQBGZWNWZYIJRQ-UHFFFAOYSA-N 2 1 333.495 3.125 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000362663748 457033440 /nfs/dbraw/zinc/03/34/40/457033440.db2.gz MANJJPZBCWXFOK-ZIFCJYIRSA-N 2 1 343.515 3.226 20 0 EGADMP CC[C@H](C(=O)N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000339280519 457037092 /nfs/dbraw/zinc/03/70/92/457037092.db2.gz HCGAKHQJVRLVMQ-DFQSSKMNSA-N 2 1 345.531 3.086 20 0 EGADMP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000339280519 457037097 /nfs/dbraw/zinc/03/70/97/457037097.db2.gz HCGAKHQJVRLVMQ-DFQSSKMNSA-N 2 1 345.531 3.086 20 0 EGADMP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000339280519 457037100 /nfs/dbraw/zinc/03/71/00/457037100.db2.gz HCGAKHQJVRLVMQ-DFQSSKMNSA-N 2 1 345.531 3.086 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1)c1ccccc1 ZINC000341991014 457046038 /nfs/dbraw/zinc/04/60/38/457046038.db2.gz ZEOAPWQBRYUBLG-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1)c1ccccc1 ZINC000341991014 457046039 /nfs/dbraw/zinc/04/60/39/457046039.db2.gz ZEOAPWQBRYUBLG-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000341991014 457046044 /nfs/dbraw/zinc/04/60/44/457046044.db2.gz ZEOAPWQBRYUBLG-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000341991014 457046047 /nfs/dbraw/zinc/04/60/47/457046047.db2.gz ZEOAPWQBRYUBLG-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1F ZINC000346472056 457046073 /nfs/dbraw/zinc/04/60/73/457046073.db2.gz AQGHMJSMIQMSDR-WMLDXEAASA-N 2 1 343.402 3.009 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1F ZINC000346472056 457046078 /nfs/dbraw/zinc/04/60/78/457046078.db2.gz AQGHMJSMIQMSDR-WMLDXEAASA-N 2 1 343.402 3.009 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000339390786 457087895 /nfs/dbraw/zinc/08/78/95/457087895.db2.gz HPDHZDCVCWPHTC-PMACEKPBSA-N 2 1 345.531 3.134 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[NH+](C)Cc1ccccc1 ZINC000339390786 457087900 /nfs/dbraw/zinc/08/79/00/457087900.db2.gz HPDHZDCVCWPHTC-PMACEKPBSA-N 2 1 345.531 3.134 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[NH+](C)Cc1ccccc1 ZINC000339390786 457087905 /nfs/dbraw/zinc/08/79/05/457087905.db2.gz HPDHZDCVCWPHTC-PMACEKPBSA-N 2 1 345.531 3.134 20 0 EGADMP Cc1ccc([C@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000359514794 457089958 /nfs/dbraw/zinc/08/99/58/457089958.db2.gz IJHUTEFFUPMUEA-SFHVURJKSA-N 2 1 327.472 3.056 20 0 EGADMP C[C@@H](C[NH2+]Cc1ccnn1-c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000354146246 457093211 /nfs/dbraw/zinc/09/32/11/457093211.db2.gz MVNKZQMABJXUJZ-INIZCTEOSA-N 2 1 330.451 3.223 20 0 EGADMP COc1cccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cs2)c1 ZINC000342081641 457097766 /nfs/dbraw/zinc/09/77/66/457097766.db2.gz HJUDIFQFASQVDM-QGTPRVQTSA-N 2 1 343.496 3.378 20 0 EGADMP COc1cccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cs2)c1 ZINC000342081641 457097770 /nfs/dbraw/zinc/09/77/70/457097770.db2.gz HJUDIFQFASQVDM-QGTPRVQTSA-N 2 1 343.496 3.378 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000354164841 457102912 /nfs/dbraw/zinc/10/29/12/457102912.db2.gz CTSMRLPSNDJGLR-HXUWFJFHSA-N 2 1 340.471 3.003 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000354164841 457102913 /nfs/dbraw/zinc/10/29/13/457102913.db2.gz CTSMRLPSNDJGLR-HXUWFJFHSA-N 2 1 340.471 3.003 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000354164841 457102914 /nfs/dbraw/zinc/10/29/14/457102914.db2.gz CTSMRLPSNDJGLR-HXUWFJFHSA-N 2 1 340.471 3.003 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000354164841 457102917 /nfs/dbraw/zinc/10/29/17/457102917.db2.gz CTSMRLPSNDJGLR-HXUWFJFHSA-N 2 1 340.471 3.003 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@@H]21 ZINC000342091360 457103425 /nfs/dbraw/zinc/10/34/25/457103425.db2.gz UKFYYBAVBJJVKQ-PMXSJFBMSA-N 2 1 349.478 3.426 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@@H]21 ZINC000342091360 457103430 /nfs/dbraw/zinc/10/34/30/457103430.db2.gz UKFYYBAVBJJVKQ-PMXSJFBMSA-N 2 1 349.478 3.426 20 0 EGADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC000359669463 457108233 /nfs/dbraw/zinc/10/82/33/457108233.db2.gz DGGHFEFEMKAQQS-NQIIRXRSSA-N 2 1 329.532 3.348 20 0 EGADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCN(C)C[C@H]3C)cc2)CC1 ZINC000359669463 457108238 /nfs/dbraw/zinc/10/82/38/457108238.db2.gz DGGHFEFEMKAQQS-NQIIRXRSSA-N 2 1 329.532 3.348 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000346694552 457116464 /nfs/dbraw/zinc/11/64/64/457116464.db2.gz UVBQFOUPMGGQIB-FQEVSTJZSA-N 2 1 327.472 3.466 20 0 EGADMP COC(=O)c1ccc(Cl)c(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339435823 457117814 /nfs/dbraw/zinc/11/78/14/457117814.db2.gz DNRIGDJRKYCNAA-SFHVURJKSA-N 2 1 336.863 3.044 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342124029 457122031 /nfs/dbraw/zinc/12/20/31/457122031.db2.gz CYKDECPMCDQMMU-YXWQFLTLSA-N 2 1 335.879 3.035 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342124029 457122036 /nfs/dbraw/zinc/12/20/36/457122036.db2.gz CYKDECPMCDQMMU-YXWQFLTLSA-N 2 1 335.879 3.035 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000362922893 457157376 /nfs/dbraw/zinc/15/73/76/457157376.db2.gz PDGFUZIDGSUGBD-UHFFFAOYSA-N 2 1 333.451 3.286 20 0 EGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CCC2(CC2)CC1 ZINC000362924818 457158871 /nfs/dbraw/zinc/15/88/71/457158871.db2.gz AFMVRNHKRLRHLU-HXUWFJFHSA-N 2 1 328.500 3.456 20 0 EGADMP CCC[C@H](C)[C@H](CC)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000359949536 457167224 /nfs/dbraw/zinc/16/72/24/457167224.db2.gz JZGOHTDCQZOGQJ-PXNSSMCTSA-N 2 1 345.531 3.379 20 0 EGADMP Cc1nc(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c(C)o1 ZINC000356878340 457193933 /nfs/dbraw/zinc/19/39/33/457193933.db2.gz SRRPTAHGTJLCMY-SFHLNBCPSA-N 2 1 339.483 3.334 20 0 EGADMP CC(C)[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C(C)C ZINC000354412517 457205926 /nfs/dbraw/zinc/20/59/26/457205926.db2.gz BSXKDWGSFFPYRP-LJQANCHMSA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[NH+](CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)C(C)C ZINC000354412517 457205929 /nfs/dbraw/zinc/20/59/29/457205929.db2.gz BSXKDWGSFFPYRP-LJQANCHMSA-N 2 1 349.494 3.025 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347062638 457211040 /nfs/dbraw/zinc/21/10/40/457211040.db2.gz ZZSJQLSJONHQLP-UZLBHIALSA-N 2 1 340.515 3.416 20 0 EGADMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3csc4ccccc34)CC2)C1 ZINC000363220426 457261539 /nfs/dbraw/zinc/26/15/39/457261539.db2.gz ZZXSRFAIPCMITQ-KRWDZBQOSA-N 2 1 329.513 3.113 20 0 EGADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3csc4ccccc34)CC2)C1 ZINC000363220426 457261547 /nfs/dbraw/zinc/26/15/47/457261547.db2.gz ZZXSRFAIPCMITQ-KRWDZBQOSA-N 2 1 329.513 3.113 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000357045846 457295810 /nfs/dbraw/zinc/29/58/10/457295810.db2.gz VPXQBQJTTWAPOE-AJYBTWMASA-N 2 1 345.531 3.447 20 0 EGADMP CC(C)[C@@H]1C[N@@H+](CC[C@H](C)[NH+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000339835404 457301061 /nfs/dbraw/zinc/30/10/61/457301061.db2.gz XHKZPHGQFZEBGL-SLFFLAALSA-N 2 1 340.552 3.259 20 0 EGADMP CC(C)[C@@H]1C[NH+](CC[C@H](C)[N@@H+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000339835404 457301068 /nfs/dbraw/zinc/30/10/68/457301068.db2.gz XHKZPHGQFZEBGL-SLFFLAALSA-N 2 1 340.552 3.259 20 0 EGADMP CC(C)[C@@H]1C[NH+](CC[C@H](C)[N@H+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000339835404 457301075 /nfs/dbraw/zinc/30/10/75/457301075.db2.gz XHKZPHGQFZEBGL-SLFFLAALSA-N 2 1 340.552 3.259 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccnc(OC)c2)CC1)CC1CC1 ZINC000357073018 457307327 /nfs/dbraw/zinc/30/73/27/457307327.db2.gz DVSOPQQKLDMBOA-UHFFFAOYSA-N 2 1 331.504 3.424 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCCN(C(C)C)C2=O)CC1)CC1CC1 ZINC000357086466 457314581 /nfs/dbraw/zinc/31/45/81/457314581.db2.gz OQFHZSGQSYUPGU-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000351848695 457320631 /nfs/dbraw/zinc/32/06/31/457320631.db2.gz DVAVQKQRPOONRM-ZBFHGGJFSA-N 2 1 345.874 3.483 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000351848695 457320635 /nfs/dbraw/zinc/32/06/35/457320635.db2.gz DVAVQKQRPOONRM-ZBFHGGJFSA-N 2 1 345.874 3.483 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000357178104 457360803 /nfs/dbraw/zinc/36/08/03/457360803.db2.gz KYSPSZLEHRWOEB-OAHLLOKOSA-N 2 1 327.476 3.439 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000357178104 457360809 /nfs/dbraw/zinc/36/08/09/457360809.db2.gz KYSPSZLEHRWOEB-OAHLLOKOSA-N 2 1 327.476 3.439 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000395653035 457478243 /nfs/dbraw/zinc/47/82/43/457478243.db2.gz YYNPQGLTZHWTTG-NZSAHSFTSA-N 2 1 345.531 3.037 20 0 EGADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(Cl)c1OC ZINC000397281508 457485852 /nfs/dbraw/zinc/48/58/52/457485852.db2.gz DNVMVUAQSIPPOY-SCRDCRAPSA-N 2 1 326.868 3.162 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(Cl)c1OC ZINC000397281508 457485857 /nfs/dbraw/zinc/48/58/57/457485857.db2.gz DNVMVUAQSIPPOY-SCRDCRAPSA-N 2 1 326.868 3.162 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000347528876 457487530 /nfs/dbraw/zinc/48/75/30/457487530.db2.gz TWXFXWQLOPRSMT-IRXDYDNUSA-N 2 1 341.499 3.016 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000352653294 457502940 /nfs/dbraw/zinc/50/29/40/457502940.db2.gz WFWVKCZISLTEEI-IRXDYDNUSA-N 2 1 345.487 3.008 20 0 EGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccsc1 ZINC000364183536 457515667 /nfs/dbraw/zinc/51/56/67/457515667.db2.gz QTKBBZOSPDWTEN-UHFFFAOYSA-N 2 1 349.544 3.016 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc(C)sc2C)CC1 ZINC000347579690 457524171 /nfs/dbraw/zinc/52/41/71/457524171.db2.gz KKOFNDCZJUYZCZ-UHFFFAOYSA-N 2 1 339.549 3.330 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC3(CCCO3)CC2)[C@H](C)C1 ZINC000370063685 457525130 /nfs/dbraw/zinc/52/51/30/457525130.db2.gz RSULDVMBRPDPOG-SOAISFHBSA-N 2 1 338.536 3.205 20 0 EGADMP C[NH+](C)Cc1cnc(CN2C[C@H]3CCC[N@@H+]3Cc3ccccc32)s1 ZINC000356306888 457564534 /nfs/dbraw/zinc/56/45/34/457564534.db2.gz RWHQOIPNUYSXBM-MRXNPFEDSA-N 2 1 342.512 3.189 20 0 EGADMP C[NH+](C)Cc1cnc(CN2C[C@H]3CCC[N@H+]3Cc3ccccc32)s1 ZINC000356306888 457564539 /nfs/dbraw/zinc/56/45/39/457564539.db2.gz RWHQOIPNUYSXBM-MRXNPFEDSA-N 2 1 342.512 3.189 20 0 EGADMP COc1ccccc1OC[C@H](C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352734840 457569173 /nfs/dbraw/zinc/56/91/73/457569173.db2.gz DFERUYXAZVDKPN-CQSZACIVSA-N 2 1 349.500 3.018 20 0 EGADMP COCC[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000370526854 457666165 /nfs/dbraw/zinc/66/61/65/457666165.db2.gz GHIVZZOVZOJSIU-RBUKOAKNSA-N 2 1 349.519 3.298 20 0 EGADMP CCCc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000361358076 457705525 /nfs/dbraw/zinc/70/55/25/457705525.db2.gz VFEATRQOGLZEBD-QGZVFWFLSA-N 2 1 345.531 3.232 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCCC34CC[NH+](C)CC4)s2)cn1 ZINC000374994864 457747805 /nfs/dbraw/zinc/74/78/05/457747805.db2.gz NCVQGTZNSHTOFJ-UHFFFAOYSA-N 2 1 330.501 3.209 20 0 EGADMP CSc1ccccc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000358044292 457751362 /nfs/dbraw/zinc/75/13/62/457751362.db2.gz FRZZMLXUWCZUDC-HDICACEKSA-N 2 1 347.572 3.399 20 0 EGADMP CSc1ccccc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000358044292 457751364 /nfs/dbraw/zinc/75/13/64/457751364.db2.gz FRZZMLXUWCZUDC-HDICACEKSA-N 2 1 347.572 3.399 20 0 EGADMP CCn1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)c1=O ZINC000433088739 457754985 /nfs/dbraw/zinc/75/49/85/457754985.db2.gz MRXCDBNUXSMQOP-QFBILLFUSA-N 2 1 331.504 3.001 20 0 EGADMP COc1ccc(Oc2ccc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cc2)cc1 ZINC000425995881 457755794 /nfs/dbraw/zinc/75/57/94/457755794.db2.gz XPXIQIJOZABPST-HDICACEKSA-N 2 1 338.451 3.481 20 0 EGADMP COc1ccc(Oc2ccc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cc2)cc1 ZINC000425995881 457755808 /nfs/dbraw/zinc/75/58/08/457755808.db2.gz XPXIQIJOZABPST-HDICACEKSA-N 2 1 338.451 3.481 20 0 EGADMP COc1ccc(Oc2ccc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)cc2)cc1 ZINC000425995881 457755814 /nfs/dbraw/zinc/75/58/14/457755814.db2.gz XPXIQIJOZABPST-HDICACEKSA-N 2 1 338.451 3.481 20 0 EGADMP COc1ccc(Oc2ccc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)cc2)cc1 ZINC000425995881 457755818 /nfs/dbraw/zinc/75/58/18/457755818.db2.gz XPXIQIJOZABPST-HDICACEKSA-N 2 1 338.451 3.481 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000433120936 457761550 /nfs/dbraw/zinc/76/15/50/457761550.db2.gz POLIMXXVWZRCCE-VQTJNVASSA-N 2 1 343.515 3.203 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](SC)C2)[C@@H](C)C1 ZINC000361523869 457770024 /nfs/dbraw/zinc/77/00/24/457770024.db2.gz HBIRCTAJMJCFQW-MHORFTMASA-N 2 1 328.566 3.387 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCCC[C@H]1C ZINC000361542132 457782104 /nfs/dbraw/zinc/78/21/04/457782104.db2.gz WQHPXWQGIYWLHN-FGTMMUONSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000361542132 457782109 /nfs/dbraw/zinc/78/21/09/457782109.db2.gz WQHPXWQGIYWLHN-FGTMMUONSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000361542132 457782115 /nfs/dbraw/zinc/78/21/15/457782115.db2.gz WQHPXWQGIYWLHN-FGTMMUONSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000361757101 457838137 /nfs/dbraw/zinc/83/81/37/457838137.db2.gz WPHKVKRJCAKTRB-HNNXBMFYSA-N 2 1 338.459 3.212 20 0 EGADMP c1ncn([C@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000411247645 457841690 /nfs/dbraw/zinc/84/16/90/457841690.db2.gz RCJPOCWKPXAVMC-FQEVSTJZSA-N 2 1 339.487 3.101 20 0 EGADMP C[C@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444007810 457841908 /nfs/dbraw/zinc/84/19/08/457841908.db2.gz CHEQFLVWPQEIPH-IXDOHACOSA-N 2 1 347.503 3.217 20 0 EGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ncco4)cc3F)CC[C@@H]21 ZINC000411328301 457857488 /nfs/dbraw/zinc/85/74/88/457857488.db2.gz PKYDASSDFOLDOW-WMZOPIPTSA-N 2 1 329.419 3.397 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ncco4)cc3F)CC[C@@H]21 ZINC000411328301 457857496 /nfs/dbraw/zinc/85/74/96/457857496.db2.gz PKYDASSDFOLDOW-WMZOPIPTSA-N 2 1 329.419 3.397 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4ncco4)cc3F)CC[C@@H]21 ZINC000411328301 457857500 /nfs/dbraw/zinc/85/75/00/457857500.db2.gz PKYDASSDFOLDOW-WMZOPIPTSA-N 2 1 329.419 3.397 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4ncco4)cc3F)CC[C@@H]21 ZINC000411328301 457857506 /nfs/dbraw/zinc/85/75/06/457857506.db2.gz PKYDASSDFOLDOW-WMZOPIPTSA-N 2 1 329.419 3.397 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444198594 457866907 /nfs/dbraw/zinc/86/69/07/457866907.db2.gz QBHUERQRTGXEBT-QGZVFWFLSA-N 2 1 347.478 3.271 20 0 EGADMP COCCO[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411406183 457877827 /nfs/dbraw/zinc/87/78/27/457877827.db2.gz FDKZSVFWXPLSPV-NRFANRHFSA-N 2 1 346.515 3.300 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000361824753 457886995 /nfs/dbraw/zinc/88/69/95/457886995.db2.gz GLPOODSMWPUAEF-LJQANCHMSA-N 2 1 326.488 3.487 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000361824753 457887001 /nfs/dbraw/zinc/88/70/01/457887001.db2.gz GLPOODSMWPUAEF-LJQANCHMSA-N 2 1 326.488 3.487 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000361824753 457887005 /nfs/dbraw/zinc/88/70/05/457887005.db2.gz GLPOODSMWPUAEF-LJQANCHMSA-N 2 1 326.488 3.487 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000358253815 457889662 /nfs/dbraw/zinc/88/96/62/457889662.db2.gz PCQLGPWDBQRJBF-WFASDCNBSA-N 2 1 348.434 3.058 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000358253815 457889666 /nfs/dbraw/zinc/88/96/66/457889666.db2.gz PCQLGPWDBQRJBF-WFASDCNBSA-N 2 1 348.434 3.058 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000411449280 457892152 /nfs/dbraw/zinc/89/21/52/457892152.db2.gz SKUCEDPXYYYLDY-UHFFFAOYSA-N 2 1 347.528 3.297 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000411449280 457892154 /nfs/dbraw/zinc/89/21/54/457892154.db2.gz SKUCEDPXYYYLDY-UHFFFAOYSA-N 2 1 347.528 3.297 20 0 EGADMP FC(F)(F)COCc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358327724 457936818 /nfs/dbraw/zinc/93/68/18/457936818.db2.gz KBMAPMXTAQZUSM-SJORKVTESA-N 2 1 342.405 3.482 20 0 EGADMP COCC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCO[C@H]1C ZINC000411651983 457940924 /nfs/dbraw/zinc/94/09/24/457940924.db2.gz DBIIYKAXHQGKCE-GHTZIAJQSA-N 2 1 346.515 3.298 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(OC)c2)[C@@H](C)C1 ZINC000358343744 457946678 /nfs/dbraw/zinc/94/66/78/457946678.db2.gz UFTNQOWMRCRXMZ-FXAWDEMLSA-N 2 1 334.504 3.230 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc2c(c1)CC(C)(C)O2 ZINC000371471848 457949305 /nfs/dbraw/zinc/94/93/05/457949305.db2.gz XBJZIVFECYNMAO-HBFSDRIKSA-N 2 1 344.499 3.084 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc2c(c1)CC(C)(C)O2 ZINC000371471848 457949311 /nfs/dbraw/zinc/94/93/11/457949311.db2.gz XBJZIVFECYNMAO-HBFSDRIKSA-N 2 1 344.499 3.084 20 0 EGADMP CCCCNC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000411691044 457952061 /nfs/dbraw/zinc/95/20/61/457952061.db2.gz MXFMMXXTEIUHJX-LJQANCHMSA-N 2 1 345.531 3.183 20 0 EGADMP CCCCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000411691044 457952065 /nfs/dbraw/zinc/95/20/65/457952065.db2.gz MXFMMXXTEIUHJX-LJQANCHMSA-N 2 1 345.531 3.183 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1csc(CCc2ccccc2)n1 ZINC000361929753 457962085 /nfs/dbraw/zinc/96/20/85/457962085.db2.gz ZOMLJKFGPHBNHI-YJBOKZPZSA-N 2 1 329.513 3.358 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000358449172 458010403 /nfs/dbraw/zinc/01/04/03/458010403.db2.gz SLGAPQPSEWUUDS-GUDVDZBRSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2Cc3ccccc3C3(CCC3)C2)CC1 ZINC000375685747 458021432 /nfs/dbraw/zinc/02/14/32/458021432.db2.gz UMBFADABCDEBAO-UHFFFAOYSA-N 2 1 341.543 3.340 20 0 EGADMP Cc1ccc([C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C2CCC2)cc1 ZINC000427694822 458023900 /nfs/dbraw/zinc/02/39/00/458023900.db2.gz DVNHNZOLWFCPCI-PMACEKPBSA-N 2 1 343.515 3.013 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CCC4(CC3)OCCO4)C2)cc1 ZINC000368366837 458031653 /nfs/dbraw/zinc/03/16/53/458031653.db2.gz IREZRCNBVUXOLC-IBGZPJMESA-N 2 1 344.499 3.174 20 0 EGADMP O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000368445622 458038625 /nfs/dbraw/zinc/03/86/25/458038625.db2.gz MPCAEAPXNUSEFX-NHUHVJRWSA-N 2 1 339.483 3.036 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000362246744 458050561 /nfs/dbraw/zinc/05/05/61/458050561.db2.gz TVMYQTCVGNNAIP-UHFFFAOYSA-N 2 1 343.471 3.142 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000362246744 458050566 /nfs/dbraw/zinc/05/05/66/458050566.db2.gz TVMYQTCVGNNAIP-UHFFFAOYSA-N 2 1 343.471 3.142 20 0 EGADMP Cc1sc2[nH]c([C@@H](C)[N@@H+]3CCC4(C3)CC[NH2+]CC4)nc(=O)c2c1C ZINC000358520515 458052491 /nfs/dbraw/zinc/05/24/91/458052491.db2.gz VRUVOSQZEITEGU-GFCCVEGCSA-N 2 1 346.500 3.150 20 0 EGADMP Cc1sc2[nH]c([C@@H](C)[N@H+]3CCC4(C3)CC[NH2+]CC4)nc(=O)c2c1C ZINC000358520515 458052499 /nfs/dbraw/zinc/05/24/99/458052499.db2.gz VRUVOSQZEITEGU-GFCCVEGCSA-N 2 1 346.500 3.150 20 0 EGADMP C[N@@H+](CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1)C1CCCC1 ZINC000412043420 458061695 /nfs/dbraw/zinc/06/16/95/458061695.db2.gz UYDUDAPKROLGDC-UHFFFAOYSA-N 2 1 343.515 3.277 20 0 EGADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000358572531 458085419 /nfs/dbraw/zinc/08/54/19/458085419.db2.gz QHLUCGVOSVIHLW-DOIPELPJSA-N 2 1 330.516 3.284 20 0 EGADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000358572532 458085729 /nfs/dbraw/zinc/08/57/29/458085729.db2.gz QHLUCGVOSVIHLW-PLACYPQZSA-N 2 1 330.516 3.284 20 0 EGADMP OC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000358577743 458087750 /nfs/dbraw/zinc/08/77/50/458087750.db2.gz UYAAOZGSXINMKW-NMBAIYOOSA-N 2 1 328.500 3.180 20 0 EGADMP c1nc2c(s1)C[NH+](CCCCC[N@H+]1CCc3ncsc3C1)CC2 ZINC000445862343 458103294 /nfs/dbraw/zinc/10/32/94/458103294.db2.gz HBWKDROMXFOERB-UHFFFAOYSA-N 2 1 348.541 3.186 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412161931 458111865 /nfs/dbraw/zinc/11/18/65/458111865.db2.gz QIOBGMYCCFFSTJ-HXUWFJFHSA-N 2 1 343.515 3.229 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375908315 458118476 /nfs/dbraw/zinc/11/84/76/458118476.db2.gz VZLRUDITSZEAHW-WOJBJXKFSA-N 2 1 333.495 3.377 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000435376149 458125884 /nfs/dbraw/zinc/12/58/84/458125884.db2.gz PUCWJYDVXQDJCX-XJKSGUPXSA-N 2 1 346.906 3.371 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2-c2ccccc2)C1 ZINC000435376698 458126163 /nfs/dbraw/zinc/12/61/63/458126163.db2.gz TWJNXHSXCFMSJS-MRXNPFEDSA-N 2 1 340.467 3.412 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435397423 458137911 /nfs/dbraw/zinc/13/79/11/458137911.db2.gz GSOUGHUEQPRLQI-YOFSQIOKSA-N 2 1 337.467 3.472 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435397423 458137915 /nfs/dbraw/zinc/13/79/15/458137915.db2.gz GSOUGHUEQPRLQI-YOFSQIOKSA-N 2 1 337.467 3.472 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)NCc1ccccc1 ZINC000358671725 458142477 /nfs/dbraw/zinc/14/24/77/458142477.db2.gz CXRQDHHRAJVUTE-QGZVFWFLSA-N 2 1 343.515 3.078 20 0 EGADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435437951 458148090 /nfs/dbraw/zinc/14/80/90/458148090.db2.gz MDSQSTRVAQGNTA-KURKYZTESA-N 2 1 330.520 3.191 20 0 EGADMP COCCOc1ccccc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000375998918 458155994 /nfs/dbraw/zinc/15/59/94/458155994.db2.gz IHOTXCPTZAGFFK-UHFFFAOYSA-N 2 1 332.488 3.020 20 0 EGADMP CCC1(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCOCC1 ZINC000428537835 458165108 /nfs/dbraw/zinc/16/51/08/458165108.db2.gz MPMTZFCMKIHUDS-HXUWFJFHSA-N 2 1 346.515 3.074 20 0 EGADMP CCC1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCOCC1 ZINC000428537835 458165116 /nfs/dbraw/zinc/16/51/16/458165116.db2.gz MPMTZFCMKIHUDS-HXUWFJFHSA-N 2 1 346.515 3.074 20 0 EGADMP CCC[C@H](NC(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435618006 458174188 /nfs/dbraw/zinc/17/41/88/458174188.db2.gz OYFVWEXWSABTHD-MOPGFXCFSA-N 2 1 331.504 3.108 20 0 EGADMP CCC[C@H](NC(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435618006 458174194 /nfs/dbraw/zinc/17/41/94/458174194.db2.gz OYFVWEXWSABTHD-MOPGFXCFSA-N 2 1 331.504 3.108 20 0 EGADMP C[C@@H](CC[NH2+][C@H]1CCCc2nn(C)cc21)[N@H+](C)Cc1ccccc1 ZINC000358760057 458198449 /nfs/dbraw/zinc/19/84/49/458198449.db2.gz USQSHLBRGBQADR-LPHOPBHVSA-N 2 1 326.488 3.298 20 0 EGADMP C[C@@H](CC[NH2+][C@H]1CCCc2nn(C)cc21)[N@@H+](C)Cc1ccccc1 ZINC000358760057 458198454 /nfs/dbraw/zinc/19/84/54/458198454.db2.gz USQSHLBRGBQADR-LPHOPBHVSA-N 2 1 326.488 3.298 20 0 EGADMP COC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C1CCCC1 ZINC000446755746 458225329 /nfs/dbraw/zinc/22/53/29/458225329.db2.gz YOWZSUBSKQHOSU-UTKZUKDTSA-N 2 1 346.515 3.202 20 0 EGADMP COC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C1CCCC1 ZINC000446755746 458225334 /nfs/dbraw/zinc/22/53/34/458225334.db2.gz YOWZSUBSKQHOSU-UTKZUKDTSA-N 2 1 346.515 3.202 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000362551945 458264556 /nfs/dbraw/zinc/26/45/56/458264556.db2.gz KBONVBOZFWHEQM-MDZRGWNJSA-N 2 1 329.488 3.055 20 0 EGADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000362551945 458264562 /nfs/dbraw/zinc/26/45/62/458264562.db2.gz KBONVBOZFWHEQM-MDZRGWNJSA-N 2 1 329.488 3.055 20 0 EGADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000362551945 458264567 /nfs/dbraw/zinc/26/45/67/458264567.db2.gz KBONVBOZFWHEQM-MDZRGWNJSA-N 2 1 329.488 3.055 20 0 EGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000447543091 458307834 /nfs/dbraw/zinc/30/78/34/458307834.db2.gz QNVWUTWAUZHQTE-AFYVEPGGSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000447543091 458307836 /nfs/dbraw/zinc/30/78/36/458307836.db2.gz QNVWUTWAUZHQTE-AFYVEPGGSA-N 2 1 330.516 3.284 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)CCC2 ZINC000447547881 458308754 /nfs/dbraw/zinc/30/87/54/458308754.db2.gz DZZXLVZMJIPOCP-GOEBONIOSA-N 2 1 348.487 3.464 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccnn3-c3ccc(F)cc3)C2)CC1 ZINC000369723217 458326670 /nfs/dbraw/zinc/32/66/70/458326670.db2.gz WBCIBSQYNMQXSE-UHFFFAOYSA-N 2 1 342.462 3.319 20 0 EGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000429502439 458338381 /nfs/dbraw/zinc/33/83/81/458338381.db2.gz JRKCKXNSLCGJFP-ACJLOTCBSA-N 2 1 345.874 3.279 20 0 EGADMP C[C@H]1CN(c2ccccc2C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000459376825 458350076 /nfs/dbraw/zinc/35/00/76/458350076.db2.gz NUSJLVHMIUPLPD-ICSRJNTNSA-N 2 1 345.531 3.218 20 0 EGADMP C[C@H]1CN(c2ccccc2C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000459376825 458350080 /nfs/dbraw/zinc/35/00/80/458350080.db2.gz NUSJLVHMIUPLPD-ICSRJNTNSA-N 2 1 345.531 3.218 20 0 EGADMP C[C@H]1CN(c2ccccc2C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000459376825 458350083 /nfs/dbraw/zinc/35/00/83/458350083.db2.gz NUSJLVHMIUPLPD-ICSRJNTNSA-N 2 1 345.531 3.218 20 0 EGADMP C[C@H]1CN(c2ccccc2C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)CCO1 ZINC000459376825 458350087 /nfs/dbraw/zinc/35/00/87/458350087.db2.gz NUSJLVHMIUPLPD-ICSRJNTNSA-N 2 1 345.531 3.218 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[C@@H]1SC ZINC000459424098 458366437 /nfs/dbraw/zinc/36/64/37/458366437.db2.gz KUBGMYNKGXIMCN-ZMHJYQQXSA-N 2 1 348.556 3.396 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@@H]1SC ZINC000459424098 458366440 /nfs/dbraw/zinc/36/64/40/458366440.db2.gz KUBGMYNKGXIMCN-ZMHJYQQXSA-N 2 1 348.556 3.396 20 0 EGADMP CCCc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000372985882 458367425 /nfs/dbraw/zinc/36/74/25/458367425.db2.gz ZRZICKLFSSLTFE-NRFANRHFSA-N 2 1 329.532 3.239 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C2CC3(CCC3)C2)CC1 ZINC000448058211 458385015 /nfs/dbraw/zinc/38/50/15/458385015.db2.gz KJJIPJNYTMHYQG-UHFFFAOYSA-N 2 1 327.516 3.246 20 0 EGADMP COc1ccccc1-n1nccc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000430030795 458392307 /nfs/dbraw/zinc/39/23/07/458392307.db2.gz YSWKLKDAUSMAOW-UHFFFAOYSA-N 2 1 342.487 3.093 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cnccn1 ZINC000376835327 458401922 /nfs/dbraw/zinc/40/19/22/458401922.db2.gz CGOYXJBJYBVHNP-IJXRJRJASA-N 2 1 336.483 3.428 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cnccn1 ZINC000376835327 458401923 /nfs/dbraw/zinc/40/19/23/458401923.db2.gz CGOYXJBJYBVHNP-IJXRJRJASA-N 2 1 336.483 3.428 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1)C1CC1 ZINC000430391283 458445301 /nfs/dbraw/zinc/44/53/01/458445301.db2.gz GGUKNHKSLCPSNG-LJQANCHMSA-N 2 1 343.515 3.227 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3cccc(Cl)c3C2)CC1 ZINC000459692789 458449130 /nfs/dbraw/zinc/44/91/30/458449130.db2.gz WCUKVDHNOPJYAW-UHFFFAOYSA-N 2 1 335.923 3.114 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000459721748 458456750 /nfs/dbraw/zinc/45/67/50/458456750.db2.gz ASZYUDHMJSXLRZ-MRXNPFEDSA-N 2 1 332.488 3.463 20 0 EGADMP Cc1nn2c(C[NH2+]CC[C@H]3CCC[N@@H+](C)C3)c(C(C)C)nc2s1 ZINC000459724409 458458179 /nfs/dbraw/zinc/45/81/79/458458179.db2.gz DKCSPJDQIXTGSV-CQSZACIVSA-N 2 1 335.521 3.044 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000430547640 458459938 /nfs/dbraw/zinc/45/99/38/458459938.db2.gz FTWSNYPNQHFBTQ-HNNXBMFYSA-N 2 1 336.867 3.238 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000459737358 458463314 /nfs/dbraw/zinc/46/33/14/458463314.db2.gz RAHHEHVFKAWLJR-AWEZNQCLSA-N 2 1 338.879 3.323 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000459739460 458464286 /nfs/dbraw/zinc/46/42/86/458464286.db2.gz SPJBESJBEIYXJM-HNNXBMFYSA-N 2 1 330.394 3.449 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000423736019 458477866 /nfs/dbraw/zinc/47/78/66/458477866.db2.gz XZLQBQQDOBEVRJ-NBMJBFSESA-N 2 1 335.536 3.148 20 0 EGADMP C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000423832790 458493704 /nfs/dbraw/zinc/49/37/04/458493704.db2.gz SGTQIPVGNYHUTH-XPYUAMARSA-N 2 1 349.906 3.109 20 0 EGADMP C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000423832790 458493706 /nfs/dbraw/zinc/49/37/06/458493706.db2.gz SGTQIPVGNYHUTH-XPYUAMARSA-N 2 1 349.906 3.109 20 0 EGADMP Cc1sc2[nH]c([C@@H](C)[NH+]3CCC([C@H](C)[NH3+])CC3)nc(=O)c2c1C ZINC000430921147 458505566 /nfs/dbraw/zinc/50/55/66/458505566.db2.gz XEZUQCYHFKABQM-WDEREUQCSA-N 2 1 334.489 3.134 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000430949213 458509054 /nfs/dbraw/zinc/50/90/54/458509054.db2.gz MZHCQZIUQHYUSI-VQIMIIECSA-N 2 1 337.467 3.351 20 0 EGADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000423906370 458510224 /nfs/dbraw/zinc/51/02/24/458510224.db2.gz QFQAVKAOQLCBFP-XEYPJELSSA-N 2 1 345.531 3.023 20 0 EGADMP C[NH2+]CC1CC[NH+](Cc2nc(-c3ccc(C(C)C)cc3)no2)CC1 ZINC000430957723 458510324 /nfs/dbraw/zinc/51/03/24/458510324.db2.gz PXBPZHDMQBSKQT-UHFFFAOYSA-N 2 1 328.460 3.291 20 0 EGADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000423937606 458516424 /nfs/dbraw/zinc/51/64/24/458516424.db2.gz HHFDWYYXBAGCDB-WOJBJXKFSA-N 2 1 339.483 3.058 20 0 EGADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](CCC)C1CC[NH2+]CC1 ZINC000431078249 458526270 /nfs/dbraw/zinc/52/62/70/458526270.db2.gz FJZQRFMDZBOAAW-UHFFFAOYSA-N 2 1 345.531 3.198 20 0 EGADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](CCC)C1CC[NH2+]CC1 ZINC000431078249 458526272 /nfs/dbraw/zinc/52/62/72/458526272.db2.gz FJZQRFMDZBOAAW-UHFFFAOYSA-N 2 1 345.531 3.198 20 0 EGADMP CCC(CC)(C[NH2+]C1CC[NH+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000461082171 458548846 /nfs/dbraw/zinc/54/88/46/458548846.db2.gz CJXNNLKLRWJCCN-UHFFFAOYSA-N 2 1 334.504 3.445 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000461211279 458552112 /nfs/dbraw/zinc/55/21/12/458552112.db2.gz GTWOSPBAKOEZMM-ZHALLVOQSA-N 2 1 348.535 3.097 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[C@@H]1C ZINC000424149869 458571838 /nfs/dbraw/zinc/57/18/38/458571838.db2.gz XSCDFAMRDCTBOC-UHOSZYNNSA-N 2 1 337.552 3.396 20 0 EGADMP Cc1ccc(N2CCC([NH2+][C@@H]3CCc4ccccc4OC3)CC2)[nH+]c1 ZINC000493820462 458578067 /nfs/dbraw/zinc/57/80/67/458578067.db2.gz ORLYJKRSQKCMHV-LJQANCHMSA-N 2 1 337.467 3.342 20 0 EGADMP CC1CC[NH+](CCCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000431597598 458593565 /nfs/dbraw/zinc/59/35/65/458593565.db2.gz UWQUDGAJZKGATF-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000438544440 458595381 /nfs/dbraw/zinc/59/53/81/458595381.db2.gz IMYVKKJDGDKSHJ-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438544440 458595386 /nfs/dbraw/zinc/59/53/86/458595386.db2.gz IMYVKKJDGDKSHJ-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438544440 458595393 /nfs/dbraw/zinc/59/53/93/458595393.db2.gz IMYVKKJDGDKSHJ-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@H]1CC2(C[N@H+]1CCOc1ccc(Cl)c(F)c1)CC[NH2+]CC2 ZINC000424290543 458604834 /nfs/dbraw/zinc/60/48/34/458604834.db2.gz MUOKKESHDZNNKY-ZDUSSCGKSA-N 2 1 326.843 3.322 20 0 EGADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424301641 458608914 /nfs/dbraw/zinc/60/89/14/458608914.db2.gz XXCBQIRYVAUDHG-QGZVFWFLSA-N 2 1 343.515 3.036 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(F)c2C)C[C@@H]1C ZINC000438819856 458616789 /nfs/dbraw/zinc/61/67/89/458616789.db2.gz NEQYSWULOPOLSJ-HOCLYGCPSA-N 2 1 335.467 3.267 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc(F)c2C)C[C@@H]1C ZINC000438819856 458616795 /nfs/dbraw/zinc/61/67/95/458616795.db2.gz NEQYSWULOPOLSJ-HOCLYGCPSA-N 2 1 335.467 3.267 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cccc(F)c2C)C[C@@H]1C ZINC000438819856 458616801 /nfs/dbraw/zinc/61/68/01/458616801.db2.gz NEQYSWULOPOLSJ-HOCLYGCPSA-N 2 1 335.467 3.267 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000431759693 458618511 /nfs/dbraw/zinc/61/85/11/458618511.db2.gz PQPQPKDLGUBEBL-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431785231 458623997 /nfs/dbraw/zinc/62/39/97/458623997.db2.gz ORPFWNKBDNXIJJ-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424376226 458628808 /nfs/dbraw/zinc/62/88/08/458628808.db2.gz KPPUCPMXQJHNLF-INIZCTEOSA-N 2 1 338.499 3.453 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1cn(C)nc1C1CCCCC1)CC[NH2+]CC2 ZINC000424382782 458629825 /nfs/dbraw/zinc/62/98/25/458629825.db2.gz SPJPGDPDTVQXNO-MRXNPFEDSA-N 2 1 330.520 3.432 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000546602083 458642923 /nfs/dbraw/zinc/64/29/23/458642923.db2.gz YVLDLHPJHWPNID-SFHVURJKSA-N 2 1 337.552 3.076 20 0 EGADMP CCOc1ccc(OCCN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000470974587 458671998 /nfs/dbraw/zinc/67/19/98/458671998.db2.gz DWNKRNCCYJWVQF-SFHVURJKSA-N 2 1 332.488 3.128 20 0 EGADMP CCOc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000470974587 458672002 /nfs/dbraw/zinc/67/20/02/458672002.db2.gz DWNKRNCCYJWVQF-SFHVURJKSA-N 2 1 332.488 3.128 20 0 EGADMP CCOc1ccc(OCC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000470974587 458672009 /nfs/dbraw/zinc/67/20/09/458672009.db2.gz DWNKRNCCYJWVQF-SFHVURJKSA-N 2 1 332.488 3.128 20 0 EGADMP CCOc1ccc(OCC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000470974587 458672013 /nfs/dbraw/zinc/67/20/13/458672013.db2.gz DWNKRNCCYJWVQF-SFHVURJKSA-N 2 1 332.488 3.128 20 0 EGADMP CCOc1ccc(OCC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000470974587 458672021 /nfs/dbraw/zinc/67/20/21/458672021.db2.gz DWNKRNCCYJWVQF-SFHVURJKSA-N 2 1 332.488 3.128 20 0 EGADMP CC(C)(C)c1cnc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000530247926 458729875 /nfs/dbraw/zinc/72/98/75/458729875.db2.gz DMVRCBLJKATICC-OAHLLOKOSA-N 2 1 337.533 3.031 20 0 EGADMP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cnn1C(C)(C)C ZINC000432415005 458735457 /nfs/dbraw/zinc/73/54/57/458735457.db2.gz BDZVBWIRKMALDM-HOTGVXAUSA-N 2 1 336.524 3.098 20 0 EGADMP Cc1c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cnn1C(C)(C)C ZINC000432415005 458735462 /nfs/dbraw/zinc/73/54/62/458735462.db2.gz BDZVBWIRKMALDM-HOTGVXAUSA-N 2 1 336.524 3.098 20 0 EGADMP CC(C)[NH+](CCN(C)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C)C(C)C ZINC000503989582 458735713 /nfs/dbraw/zinc/73/57/13/458735713.db2.gz VVAQXQILEFAISP-QZTJIDSGSA-N 2 1 340.556 3.010 20 0 EGADMP Cc1ccc(C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C2CC2)cc1 ZINC000432426978 458738492 /nfs/dbraw/zinc/73/84/92/458738492.db2.gz WEZFUKOANMYVFX-NQIIRXRSSA-N 2 1 330.516 3.407 20 0 EGADMP Cc1ccc(C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C2CC2)cc1 ZINC000432426978 458738495 /nfs/dbraw/zinc/73/84/95/458738495.db2.gz WEZFUKOANMYVFX-NQIIRXRSSA-N 2 1 330.516 3.407 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000495084338 458796948 /nfs/dbraw/zinc/79/69/48/458796948.db2.gz MBWPMYKXPICVPT-ROUUACIJSA-N 2 1 345.531 3.407 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@@H](C)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000472483096 458798385 /nfs/dbraw/zinc/79/83/85/458798385.db2.gz DMRNXHPPSQNHES-IEBWSBKVSA-N 2 1 343.515 3.294 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@H](C)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000472483095 458798951 /nfs/dbraw/zinc/79/89/51/458798951.db2.gz DMRNXHPPSQNHES-HKUYNNGSSA-N 2 1 343.515 3.294 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)CC[N@@H+](C)C2CCCCC2)c(F)c1 ZINC000518337793 458857804 /nfs/dbraw/zinc/85/78/04/458857804.db2.gz FYHNVENSTRJUOZ-UHFFFAOYSA-N 2 1 335.467 3.480 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCCC2(C)C)cc1)C1CC1 ZINC000457081322 458858717 /nfs/dbraw/zinc/85/87/17/458858717.db2.gz VKPXFIZODLZROY-UHFFFAOYSA-N 2 1 343.515 3.275 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+]2CCCC2(C)C)cc1)C1CC1 ZINC000457081322 458858726 /nfs/dbraw/zinc/85/87/26/458858726.db2.gz VKPXFIZODLZROY-UHFFFAOYSA-N 2 1 343.515 3.275 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+]2CCCC2(C)C)cc1)C1CC1 ZINC000457081322 458858735 /nfs/dbraw/zinc/85/87/35/458858735.db2.gz VKPXFIZODLZROY-UHFFFAOYSA-N 2 1 343.515 3.275 20 0 EGADMP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000495527263 458876213 /nfs/dbraw/zinc/87/62/13/458876213.db2.gz ZMBNHDYRUSQEJW-SJORKVTESA-N 2 1 339.524 3.098 20 0 EGADMP CC(C)[C@@H](C[NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000474720396 458898101 /nfs/dbraw/zinc/89/81/01/458898101.db2.gz PTZVLBQKRGZNAJ-OAQYLSRUSA-N 2 1 331.548 3.289 20 0 EGADMP Cc1cccc(C)c1OCCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000441271435 458908308 /nfs/dbraw/zinc/90/83/08/458908308.db2.gz XYYAOJIVRPMKLX-VAMGGRTRSA-N 2 1 346.515 3.256 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1(C)C ZINC000441339855 458923011 /nfs/dbraw/zinc/92/30/11/458923011.db2.gz WKNMPHLICBYYOZ-UXHICEINSA-N 2 1 329.532 3.013 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495716309 458928742 /nfs/dbraw/zinc/92/87/42/458928742.db2.gz KKFYUVGVQYRLPH-VQIMIIECSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495716309 458928749 /nfs/dbraw/zinc/92/87/49/458928749.db2.gz KKFYUVGVQYRLPH-VQIMIIECSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495716309 458928752 /nfs/dbraw/zinc/92/87/52/458928752.db2.gz KKFYUVGVQYRLPH-VQIMIIECSA-N 2 1 339.524 3.098 20 0 EGADMP CC(C)COC[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000576863214 458936803 /nfs/dbraw/zinc/93/68/03/458936803.db2.gz IERHKDZDQBZKHV-GHTZIAJQSA-N 2 1 348.531 3.042 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000531677706 458958597 /nfs/dbraw/zinc/95/85/97/458958597.db2.gz QQWCDBJNVVTVHD-AEFFLSMTSA-N 2 1 329.513 3.387 20 0 EGADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000531702689 458964353 /nfs/dbraw/zinc/96/43/53/458964353.db2.gz HQDGFGDTYKHVOQ-IIBYNOLFSA-N 2 1 347.522 3.312 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495817422 458965861 /nfs/dbraw/zinc/96/58/61/458965861.db2.gz FWGLMOKHXRREKC-BRWVUGGUSA-N 2 1 341.540 3.388 20 0 EGADMP CC(C)(C)c1ncc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)s1 ZINC000519646940 458981720 /nfs/dbraw/zinc/98/17/20/458981720.db2.gz JBLSEXXKQWPWJE-OAHLLOKOSA-N 2 1 337.533 3.127 20 0 EGADMP CC(C)(C)c1ncc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)s1 ZINC000519646940 458981727 /nfs/dbraw/zinc/98/17/27/458981727.db2.gz JBLSEXXKQWPWJE-OAHLLOKOSA-N 2 1 337.533 3.127 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000566687517 458983476 /nfs/dbraw/zinc/98/34/76/458983476.db2.gz LGEABVJQVKGKHO-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2)n1 ZINC000566858636 459013336 /nfs/dbraw/zinc/01/33/36/459013336.db2.gz SJEMAOAMNRAOIW-UXHICEINSA-N 2 1 338.499 3.311 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[C@@H](C)[C@@H](C)C3)CC2)CC1 ZINC000577387986 459026415 /nfs/dbraw/zinc/02/64/15/459026415.db2.gz YZCMHJLICYCJRO-ZIFCJYIRSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C[NH+]3CC[C@H](C)C3)c2C1 ZINC000566983000 459031818 /nfs/dbraw/zinc/03/18/18/459031818.db2.gz TVJQYUZIKNDOCA-INIZCTEOSA-N 2 1 329.488 3.329 20 0 EGADMP CC(C)CC[NH+]1Cc2cccc(NC(=O)C[N@@H+]3CC[C@H](C)C3)c2C1 ZINC000566983000 459031823 /nfs/dbraw/zinc/03/18/23/459031823.db2.gz TVJQYUZIKNDOCA-INIZCTEOSA-N 2 1 329.488 3.329 20 0 EGADMP CC(C)CC[NH+]1Cc2cccc(NC(=O)C[N@H+]3CC[C@H](C)C3)c2C1 ZINC000566983000 459031826 /nfs/dbraw/zinc/03/18/26/459031826.db2.gz TVJQYUZIKNDOCA-INIZCTEOSA-N 2 1 329.488 3.329 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000556915692 459032271 /nfs/dbraw/zinc/03/22/71/459032271.db2.gz SKQUOBUVFVEDJI-CXAGYDPISA-N 2 1 326.431 3.442 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442763210 459032268 /nfs/dbraw/zinc/03/22/68/459032268.db2.gz AVNPJMCEJVRLSH-IXDOHACOSA-N 2 1 337.467 3.350 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442763210 459032276 /nfs/dbraw/zinc/03/22/76/459032276.db2.gz AVNPJMCEJVRLSH-IXDOHACOSA-N 2 1 337.467 3.350 20 0 EGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442870957 459049077 /nfs/dbraw/zinc/04/90/77/459049077.db2.gz AOMAIRXJOPSEOC-AWEZNQCLSA-N 2 1 338.565 3.252 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1(C)C ZINC000442881326 459051343 /nfs/dbraw/zinc/05/13/43/459051343.db2.gz ZFLASCDSXBFAMS-CTNGQTDRSA-N 2 1 329.532 3.112 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC1(C)C ZINC000442889305 459054579 /nfs/dbraw/zinc/05/45/79/459054579.db2.gz JYAIZGXYFSICND-VQTJNVASSA-N 2 1 329.532 3.013 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000442917544 459060219 /nfs/dbraw/zinc/06/02/19/459060219.db2.gz AUQYXUFNBQAYEA-KRWDZBQOSA-N 2 1 325.456 3.221 20 0 EGADMP CC[N@@H+](CC(=O)N(C)c1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999422 459065024 /nfs/dbraw/zinc/06/50/24/459065024.db2.gz HDSYOZRODRTRLU-UHFFFAOYSA-N 2 1 339.483 3.233 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000477917682 459066430 /nfs/dbraw/zinc/06/64/30/459066430.db2.gz OIVCUIZEOHHUTN-UYAOXDASSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477917682 459066435 /nfs/dbraw/zinc/06/64/35/459066435.db2.gz OIVCUIZEOHHUTN-UYAOXDASSA-N 2 1 329.532 3.219 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000478358645 459086340 /nfs/dbraw/zinc/08/63/40/459086340.db2.gz SXTRWRIBLJVBFB-KRWDZBQOSA-N 2 1 332.488 3.463 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000478358645 459086344 /nfs/dbraw/zinc/08/63/44/459086344.db2.gz SXTRWRIBLJVBFB-KRWDZBQOSA-N 2 1 332.488 3.463 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])N2CCCCC2)cc1 ZINC000567642370 459139227 /nfs/dbraw/zinc/13/92/27/459139227.db2.gz QLGWTBMZCJLGQF-HBMCJLEFSA-N 2 1 345.531 3.472 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000479462232 459142095 /nfs/dbraw/zinc/14/20/95/459142095.db2.gz FTECHDKLMPYSIJ-OALUTQOASA-N 2 1 344.499 3.220 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000567696625 459148410 /nfs/dbraw/zinc/14/84/10/459148410.db2.gz DQLJUPAPTVPKOM-SZVBFZGTSA-N 2 1 336.907 3.411 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000567696625 459148413 /nfs/dbraw/zinc/14/84/13/459148413.db2.gz DQLJUPAPTVPKOM-SZVBFZGTSA-N 2 1 336.907 3.411 20 0 EGADMP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000567786530 459167716 /nfs/dbraw/zinc/16/77/16/459167716.db2.gz AZYDQXDDXYIBSX-RBUKOAKNSA-N 2 1 335.536 3.009 20 0 EGADMP CC1CC[NH+]([C@H](CN[C@@H]2CC[N@@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000479849198 459170535 /nfs/dbraw/zinc/17/05/35/459170535.db2.gz HRVJLMRXLGDZHG-KZNAEPCWSA-N 2 1 335.561 3.451 20 0 EGADMP Cc1ccc(-n2cc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c(C(C)(C)C)n2)cc1 ZINC000479937381 459174132 /nfs/dbraw/zinc/17/41/32/459174132.db2.gz CSBFXVARIVFVTM-CALCHBBNSA-N 2 1 338.499 3.129 20 0 EGADMP Cc1ccc(-n2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c(C(C)(C)C)n2)cc1 ZINC000479937381 459174139 /nfs/dbraw/zinc/17/41/39/459174139.db2.gz CSBFXVARIVFVTM-CALCHBBNSA-N 2 1 338.499 3.129 20 0 EGADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)Nc1cccc2ccccc21 ZINC000521988176 459199966 /nfs/dbraw/zinc/19/99/66/459199966.db2.gz XJLOMXWRTKZRQL-STXHMFSFSA-N 2 1 325.456 3.145 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCCC3)O2)[C@H](C)C1 ZINC000558723226 459204481 /nfs/dbraw/zinc/20/44/81/459204481.db2.gz OJKNQXRCZHIRFG-QYZOEREBSA-N 2 1 338.536 3.205 20 0 EGADMP C[C@@H](NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480618977 459210071 /nfs/dbraw/zinc/21/00/71/459210071.db2.gz YRHBVHQWGLPGAJ-CEXWTWQISA-N 2 1 347.547 3.398 20 0 EGADMP C[C@@H](NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480618977 459210077 /nfs/dbraw/zinc/21/00/77/459210077.db2.gz YRHBVHQWGLPGAJ-CEXWTWQISA-N 2 1 347.547 3.398 20 0 EGADMP CC(=O)c1ccccc1OCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786968 459219815 /nfs/dbraw/zinc/21/98/15/459219815.db2.gz SEXPENUSMDBQTB-UHFFFAOYSA-N 2 1 332.488 3.320 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000480909841 459223643 /nfs/dbraw/zinc/22/36/43/459223643.db2.gz HIVNKMIUNQHBLN-UXHICEINSA-N 2 1 345.531 3.106 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCO[C@@H]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000480922317 459223671 /nfs/dbraw/zinc/22/36/71/459223671.db2.gz WOOVAVZRYMWZQW-FUMNGEBKSA-N 2 1 340.552 3.308 20 0 EGADMP CC[NH+](CC)CCC[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000496526471 459226934 /nfs/dbraw/zinc/22/69/34/459226934.db2.gz UWBKJHFOJLLGKA-UHFFFAOYSA-N 2 1 339.524 3.194 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000481031223 459230127 /nfs/dbraw/zinc/23/01/27/459230127.db2.gz CDWWSPJLXJZJOO-HUUCEWRRSA-N 2 1 329.488 3.299 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000590818951 459231611 /nfs/dbraw/zinc/23/16/11/459231611.db2.gz LHOGUMXJQWMVLT-UHFFFAOYSA-N 2 1 335.467 3.207 20 0 EGADMP O=C(Nc1ccc(-n2ccnc2)c(F)c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000533527160 459247859 /nfs/dbraw/zinc/24/78/59/459247859.db2.gz MBXLIKMAGSOELD-GOSISDBHSA-N 2 1 342.418 3.357 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000568328369 459269326 /nfs/dbraw/zinc/26/93/26/459269326.db2.gz ROEIFIUEHUJNIA-QGZVFWFLSA-N 2 1 332.488 3.462 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000568328369 459269329 /nfs/dbraw/zinc/26/93/29/459269329.db2.gz ROEIFIUEHUJNIA-QGZVFWFLSA-N 2 1 332.488 3.462 20 0 EGADMP Cc1cc(Br)cc(C)c1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000481709844 459269564 /nfs/dbraw/zinc/26/95/64/459269564.db2.gz ASHQYPAVRHKXLZ-CJNGLKHVSA-N 2 1 325.294 3.496 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000533865794 459274753 /nfs/dbraw/zinc/27/47/53/459274753.db2.gz AZRQEOBNONMLDK-DOTOQJQBSA-N 2 1 348.450 3.390 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(OC)c1 ZINC000482131932 459291979 /nfs/dbraw/zinc/29/19/79/459291979.db2.gz YNDLOYXLIJBORP-VQIMIIECSA-N 2 1 347.503 3.124 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1 ZINC000482151075 459293160 /nfs/dbraw/zinc/29/31/60/459293160.db2.gz YZUFFOQYFVCOCV-LPHOPBHVSA-N 2 1 347.503 3.124 20 0 EGADMP CCc1ccc(CC[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000568553821 459307596 /nfs/dbraw/zinc/30/75/96/459307596.db2.gz YDZRLQGBWGRSMA-BGYRXZFFSA-N 2 1 343.559 3.282 20 0 EGADMP CCCCc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000482546201 459313727 /nfs/dbraw/zinc/31/37/27/459313727.db2.gz DCDXDXQPRUJRHY-XLIONFOSSA-N 2 1 345.531 3.267 20 0 EGADMP CCCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000482896752 459329895 /nfs/dbraw/zinc/32/98/95/459329895.db2.gz ULFMHJFHDWCTJM-MJGOQNOKSA-N 2 1 334.504 3.219 20 0 EGADMP CC[N@@H+](C)C[C@H](O)CN[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000568764281 459341833 /nfs/dbraw/zinc/34/18/33/459341833.db2.gz OVNSJAITEZZOQL-VQIMIIECSA-N 2 1 342.483 3.325 20 0 EGADMP CCN(C)C[C@H](O)C[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000568764281 459341839 /nfs/dbraw/zinc/34/18/39/459341839.db2.gz OVNSJAITEZZOQL-VQIMIIECSA-N 2 1 342.483 3.325 20 0 EGADMP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000560827083 459400106 /nfs/dbraw/zinc/40/01/06/459400106.db2.gz UTVAPYOFELOOQQ-ICSRJNTNSA-N 2 1 345.531 3.402 20 0 EGADMP COc1ccc(CNCc2ccc(-n3ccnc3)c(F)c2)c(F)c1 ZINC000561525944 459461516 /nfs/dbraw/zinc/46/15/16/459461516.db2.gz JPHJQDMVTCOADB-UHFFFAOYSA-N 2 1 329.350 3.449 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000583021422 459469032 /nfs/dbraw/zinc/46/90/32/459469032.db2.gz HHMLQIRJFMSIPQ-HZPDHXFCSA-N 2 1 339.911 3.083 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000569592377 459478439 /nfs/dbraw/zinc/47/84/39/459478439.db2.gz IXRSPLCEEADWCI-VYDXJSESSA-N 3 1 330.520 3.152 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000569592377 459478443 /nfs/dbraw/zinc/47/84/43/459478443.db2.gz IXRSPLCEEADWCI-VYDXJSESSA-N 2 1 330.520 3.152 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000569592377 459478446 /nfs/dbraw/zinc/47/84/46/459478446.db2.gz IXRSPLCEEADWCI-VYDXJSESSA-N 2 1 330.520 3.152 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000497303447 459521982 /nfs/dbraw/zinc/52/19/82/459521982.db2.gz AYWYOXQYLWMWRX-IKGGRYGDSA-N 2 1 339.524 3.144 20 0 EGADMP Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cn2cc[nH+]c12 ZINC000562615621 459603391 /nfs/dbraw/zinc/60/33/91/459603391.db2.gz UVXDLRKYNPRKKZ-INIZCTEOSA-N 2 1 343.475 3.132 20 0 EGADMP Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cn2cc[nH+]c12 ZINC000562615621 459603397 /nfs/dbraw/zinc/60/33/97/459603397.db2.gz UVXDLRKYNPRKKZ-INIZCTEOSA-N 2 1 343.475 3.132 20 0 EGADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCCC23CCC3)c2cccs2)CC1 ZINC000562646555 459609842 /nfs/dbraw/zinc/60/98/42/459609842.db2.gz RQWQIDQYOAFFSI-WMZOPIPTSA-N 2 1 333.545 3.349 20 0 EGADMP C[N@@H+](Cc1cccc(C(=O)OC(C)(C)C)c1)C[C@H]1CCC[NH+](C)C1 ZINC000500070396 459663601 /nfs/dbraw/zinc/66/36/01/459663601.db2.gz ASBUXCFDANUNEW-KRWDZBQOSA-N 2 1 332.488 3.416 20 0 EGADMP C[N@H+](Cc1cccc(C(=O)OC(C)(C)C)c1)C[C@H]1CCC[NH+](C)C1 ZINC000500070396 459663603 /nfs/dbraw/zinc/66/36/03/459663603.db2.gz ASBUXCFDANUNEW-KRWDZBQOSA-N 2 1 332.488 3.416 20 0 EGADMP C[NH+](Cc1cccc(C(=O)OC(C)(C)C)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000500070396 459663608 /nfs/dbraw/zinc/66/36/08/459663608.db2.gz ASBUXCFDANUNEW-KRWDZBQOSA-N 2 1 332.488 3.416 20 0 EGADMP C[NH+](Cc1cccc(C(=O)OC(C)(C)C)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000500070396 459663613 /nfs/dbraw/zinc/66/36/13/459663613.db2.gz ASBUXCFDANUNEW-KRWDZBQOSA-N 2 1 332.488 3.416 20 0 EGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527666632 459690760 /nfs/dbraw/zinc/69/07/60/459690760.db2.gz UIIHKJJXIGHSPI-LEWJYISDSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527666632 459690764 /nfs/dbraw/zinc/69/07/64/459690764.db2.gz UIIHKJJXIGHSPI-LEWJYISDSA-N 2 1 349.478 3.141 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])[C@@H]1c1cccs1 ZINC000584408743 459730551 /nfs/dbraw/zinc/73/05/51/459730551.db2.gz FMRHTGZFAHUGDN-WFXMFSGNSA-N 2 1 349.544 3.155 20 0 EGADMP CC(C)c1[nH+]c(CNCCC[N@@H+]2CCCO[C@H](C)C2)c2ccccn21 ZINC000563257573 459749251 /nfs/dbraw/zinc/74/92/51/459749251.db2.gz MFVBOPLBOIGDSP-QGZVFWFLSA-N 2 1 344.503 3.048 20 0 EGADMP CC(C)c1[nH+]c(CNCCC[N@H+]2CCCO[C@H](C)C2)c2ccccn21 ZINC000563257573 459749255 /nfs/dbraw/zinc/74/92/55/459749255.db2.gz MFVBOPLBOIGDSP-QGZVFWFLSA-N 2 1 344.503 3.048 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](SC)C(C)(C)C)[C@@H](C)C1 ZINC000544384720 459754352 /nfs/dbraw/zinc/75/43/52/459754352.db2.gz DDQJJYUUQQUXMN-YESZJQIVSA-N 2 1 330.582 3.491 20 0 EGADMP C[C@H]1C[C@@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)CC[N@@H+]1C ZINC000527939399 459778031 /nfs/dbraw/zinc/77/80/31/459778031.db2.gz NTUZEFOQOLMIEK-YJBOKZPZSA-N 2 1 346.519 3.464 20 0 EGADMP C[C@H]1C[C@@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)CC[N@H+]1C ZINC000527939399 459778036 /nfs/dbraw/zinc/77/80/36/459778036.db2.gz NTUZEFOQOLMIEK-YJBOKZPZSA-N 2 1 346.519 3.464 20 0 EGADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000584730886 459792897 /nfs/dbraw/zinc/79/28/97/459792897.db2.gz SMRZWAMUZDOEKQ-UHFFFAOYSA-N 2 1 348.487 3.491 20 0 EGADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1C ZINC000566107866 459806507 /nfs/dbraw/zinc/80/65/07/459806507.db2.gz BIUANDSIMDTJJX-VQTJNVASSA-N 2 1 348.531 3.062 20 0 EGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000545868468 459862734 /nfs/dbraw/zinc/86/27/34/459862734.db2.gz NJZBGPHXVPCQLS-JQFCIGGWSA-N 2 1 343.298 3.286 20 0 EGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000545868468 459862740 /nfs/dbraw/zinc/86/27/40/459862740.db2.gz NJZBGPHXVPCQLS-JQFCIGGWSA-N 2 1 343.298 3.286 20 0 EGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000545868469 459863799 /nfs/dbraw/zinc/86/37/99/459863799.db2.gz NJZBGPHXVPCQLS-XKQJLSEDSA-N 2 1 343.298 3.286 20 0 EGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000545868469 459863805 /nfs/dbraw/zinc/86/38/05/459863805.db2.gz NJZBGPHXVPCQLS-XKQJLSEDSA-N 2 1 343.298 3.286 20 0 EGADMP COC(=O)[C@H](c1ccccc1C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000545937243 459875205 /nfs/dbraw/zinc/87/52/05/459875205.db2.gz MJORBFCNYJTWOG-IBGZPJMESA-N 2 1 332.488 3.261 20 0 EGADMP COC(=O)[C@H](c1ccccc1C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000545937243 459875209 /nfs/dbraw/zinc/87/52/09/459875209.db2.gz MJORBFCNYJTWOG-IBGZPJMESA-N 2 1 332.488 3.261 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1 ZINC000575000409 459905857 /nfs/dbraw/zinc/90/58/57/459905857.db2.gz BQULBCSTUDADQF-VQTJNVASSA-N 2 1 343.515 3.227 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])ccc2o1 ZINC000593729024 459965285 /nfs/dbraw/zinc/96/52/85/459965285.db2.gz CRXHNKJXZBCRRO-CJNGLKHVSA-N 2 1 330.428 3.169 20 0 EGADMP C[C@H](N(C)CC(=O)Nc1nc(CN2CCCC2)cs1)C(C)(C)C ZINC000575973142 460043260 /nfs/dbraw/zinc/04/32/60/460043260.db2.gz KPVRMVKZIOBHFX-ZDUSSCGKSA-N 2 1 338.521 3.044 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)c2ccccc21 ZINC000621748508 460046750 /nfs/dbraw/zinc/04/67/50/460046750.db2.gz HRSCSKGOPVZGKD-QFBILLFUSA-N 2 1 329.488 3.338 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c2ccccc21 ZINC000621748508 460046755 /nfs/dbraw/zinc/04/67/55/460046755.db2.gz HRSCSKGOPVZGKD-QFBILLFUSA-N 2 1 329.488 3.338 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H](C(C)C)C3)CC2)CC1 ZINC000576051871 460060572 /nfs/dbraw/zinc/06/05/72/460060572.db2.gz UZQBFNJYWYDBHY-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)o1 ZINC000622055963 460173676 /nfs/dbraw/zinc/17/36/76/460173676.db2.gz FAZFYPCIAFACOY-UHFFFAOYSA-N 2 1 349.519 3.458 20 0 EGADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000622753216 460304784 /nfs/dbraw/zinc/30/47/84/460304784.db2.gz TZWGVIQUIHLZJC-PXNSSMCTSA-N 2 1 347.547 3.307 20 0 EGADMP O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622753216 460304787 /nfs/dbraw/zinc/30/47/87/460304787.db2.gz TZWGVIQUIHLZJC-PXNSSMCTSA-N 2 1 347.547 3.307 20 0 EGADMP O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000622753216 460304788 /nfs/dbraw/zinc/30/47/88/460304788.db2.gz TZWGVIQUIHLZJC-PXNSSMCTSA-N 2 1 347.547 3.307 20 0 EGADMP FC(F)(F)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000603516926 460314913 /nfs/dbraw/zinc/31/49/13/460314913.db2.gz GBFTTWDKSFWVAP-QGZVFWFLSA-N 2 1 342.405 3.438 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000623086910 460406990 /nfs/dbraw/zinc/40/69/90/460406990.db2.gz RARZFQQPFWIYLV-UHFFFAOYSA-N 2 1 339.414 3.471 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H]3CCCc4ncccc43)CC2)nc(C)[nH+]1 ZINC000631585659 460457637 /nfs/dbraw/zinc/45/76/37/460457637.db2.gz SJGKIOMMIQMJTM-IBGZPJMESA-N 2 1 337.471 3.124 20 0 EGADMP Brc1ccc2[nH+]ccc(NC[C@@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000623872283 460755361 /nfs/dbraw/zinc/75/53/61/460755361.db2.gz WLISQQTWLSPSFT-LBPRGKRZSA-N 2 1 346.272 3.315 20 0 EGADMP Brc1ccc2[nH+]ccc(NC[C@@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000623872283 460755364 /nfs/dbraw/zinc/75/53/64/460755364.db2.gz WLISQQTWLSPSFT-LBPRGKRZSA-N 2 1 346.272 3.315 20 0 EGADMP COC(=O)C1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000601289909 460778432 /nfs/dbraw/zinc/77/84/32/460778432.db2.gz WECBDYZLVPMPKG-OTBHMBEGSA-N 2 1 344.499 3.076 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)o1 ZINC000607125378 460793718 /nfs/dbraw/zinc/79/37/18/460793718.db2.gz YLONLYOONFBEHY-CVEARBPZSA-N 2 1 335.492 3.066 20 0 EGADMP C[C@H](Nc1nc(N2CCCC(C)(C)C2)cc[nH+]1)C1CC[NH+](C)CC1 ZINC000623969547 460803402 /nfs/dbraw/zinc/80/34/02/460803402.db2.gz KWAZCXBSZKRKTQ-HNNXBMFYSA-N 2 1 331.508 3.245 20 0 EGADMP COc1ccc2oc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc2c1 ZINC000629652815 460847852 /nfs/dbraw/zinc/84/78/52/460847852.db2.gz CBXWBNKTQVUZMM-WFASDCNBSA-N 2 1 342.361 3.401 20 0 EGADMP COc1ccc2oc(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc2c1 ZINC000629652815 460847854 /nfs/dbraw/zinc/84/78/54/460847854.db2.gz CBXWBNKTQVUZMM-WFASDCNBSA-N 2 1 342.361 3.401 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000624120505 460870678 /nfs/dbraw/zinc/87/06/78/460870678.db2.gz AOQKEWYJTNMLNE-PKOBYXMFSA-N 2 1 326.488 3.314 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000624120505 460870686 /nfs/dbraw/zinc/87/06/86/460870686.db2.gz AOQKEWYJTNMLNE-PKOBYXMFSA-N 2 1 326.488 3.314 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)CC[N@@H+]1C ZINC000624226704 460920908 /nfs/dbraw/zinc/92/09/08/460920908.db2.gz XCJCSHQZKUGVKJ-YUELXQCFSA-N 2 1 325.859 3.130 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)CC[N@H+]1C ZINC000624226704 460920911 /nfs/dbraw/zinc/92/09/11/460920911.db2.gz XCJCSHQZKUGVKJ-YUELXQCFSA-N 2 1 325.859 3.130 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000652347774 461142003 /nfs/dbraw/zinc/14/20/03/461142003.db2.gz LMHBTPRISROMIW-UHOSZYNNSA-N 2 1 336.907 3.491 20 0 EGADMP CC[N@H+](Cc1ccnn1CC1CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000668161314 461148235 /nfs/dbraw/zinc/14/82/35/461148235.db2.gz XWRQMHBTMGCDNN-UHFFFAOYSA-N 2 1 326.488 3.377 20 0 EGADMP CC[N@@H+](Cc1ccnn1CC1CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000668161314 461148241 /nfs/dbraw/zinc/14/82/41/461148241.db2.gz XWRQMHBTMGCDNN-UHFFFAOYSA-N 2 1 326.488 3.377 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)CC1 ZINC000662260517 461148771 /nfs/dbraw/zinc/14/87/71/461148771.db2.gz OGMGKZQFMGLTCW-IBGZPJMESA-N 3 1 341.543 3.276 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)CC1 ZINC000662260517 461148782 /nfs/dbraw/zinc/14/87/82/461148782.db2.gz OGMGKZQFMGLTCW-IBGZPJMESA-N 3 1 341.543 3.276 20 0 EGADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000652354662 461151140 /nfs/dbraw/zinc/15/11/40/461151140.db2.gz DPTFRUPDPHVYQC-LPHOPBHVSA-N 2 1 331.504 3.022 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(F)ccc2Cl)C1 ZINC000652363428 461157756 /nfs/dbraw/zinc/15/77/56/461157756.db2.gz DNILBPIDHITNMB-OIISXLGYSA-N 2 1 326.843 3.340 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(-c3ccccc3)on2)C1 ZINC000652363946 461157837 /nfs/dbraw/zinc/15/78/37/461157837.db2.gz SQIOCXLWYIZIHH-IMFGXOCKSA-N 2 1 341.455 3.202 20 0 EGADMP CCN(Cc1snnc1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649545807 461164052 /nfs/dbraw/zinc/16/40/52/461164052.db2.gz UPYMMAJYAXLTQO-QGZVFWFLSA-N 2 1 330.501 3.191 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)on2)cc1 ZINC000662284872 461166331 /nfs/dbraw/zinc/16/63/31/461166331.db2.gz ZTSKUMLVPCCWOB-LZWOXQAQSA-N 2 1 329.444 3.155 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCc3nsc4ccccc43)C2)C1 ZINC000662283648 461166552 /nfs/dbraw/zinc/16/65/52/461166552.db2.gz CIFWRAKTSXQCGC-IIDMSEBBSA-N 2 1 345.512 3.057 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1Cl ZINC000662286617 461167819 /nfs/dbraw/zinc/16/78/19/461167819.db2.gz SAAIDTIJBVLTBK-YSVLISHTSA-N 2 1 338.879 3.067 20 0 EGADMP C[C@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290935 461168498 /nfs/dbraw/zinc/16/84/98/461168498.db2.gz AFJCWFOISHZKBJ-AEFFLSMTSA-N 2 1 339.487 3.040 20 0 EGADMP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292219 461169182 /nfs/dbraw/zinc/16/91/82/461169182.db2.gz CDGDMXKYZKHEMN-VQIMIIECSA-N 2 1 343.515 3.288 20 0 EGADMP c1csc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)c1 ZINC000662291494 461169561 /nfs/dbraw/zinc/16/95/61/461169561.db2.gz VBHNMBMXBLCBNI-AWEZNQCLSA-N 2 1 332.473 3.010 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291473 461170537 /nfs/dbraw/zinc/17/05/37/461170537.db2.gz UDJWQXXIOQYCAC-HOCLYGCPSA-N 2 1 349.906 3.379 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291474 461170879 /nfs/dbraw/zinc/17/08/79/461170879.db2.gz UDJWQXXIOQYCAC-ZBFHGGJFSA-N 2 1 349.906 3.379 20 0 EGADMP Fc1ccccc1-c1noc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000662293023 461171033 /nfs/dbraw/zinc/17/10/33/461171033.db2.gz INMZBXUHASEDMS-OAHLLOKOSA-N 2 1 344.434 3.087 20 0 EGADMP C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294185 461173057 /nfs/dbraw/zinc/17/30/57/461173057.db2.gz PQHWEZSYFWBPCG-FUHWJXTLSA-N 2 1 339.487 3.040 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC(=O)NC2(c3ccccc3)CCC2)[C@@H]1CCC[NH3+] ZINC000662312459 461184014 /nfs/dbraw/zinc/18/40/14/461184014.db2.gz GOEBPUYIQKODNR-IEBWSBKVSA-N 2 1 343.515 3.021 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCCC[C@@H]1O ZINC000649572668 461184940 /nfs/dbraw/zinc/18/49/40/461184940.db2.gz DTNSCNZPLGBRSG-QUCCMNQESA-N 2 1 331.504 3.171 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)[C@@H]1CCC[NH3+] ZINC000662314036 461185595 /nfs/dbraw/zinc/18/55/95/461185595.db2.gz LQOITSDQCIUOLN-NCXUSEDFSA-N 2 1 335.536 3.007 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000662317674 461189431 /nfs/dbraw/zinc/18/94/31/461189431.db2.gz ZFDMMOOMSGIJGF-NSHGMRRFSA-N 2 1 332.488 3.019 20 0 EGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@@H](c3nccn3C)C3CC3)C2)c1 ZINC000638008044 461193594 /nfs/dbraw/zinc/19/35/94/461193594.db2.gz WDWONSSTQGGBCQ-MAUKXSAKSA-N 2 1 325.460 3.009 20 0 EGADMP O=C(C[C@H]1[NH2+]Cc2ccccc21)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000662381635 461224319 /nfs/dbraw/zinc/22/43/19/461224319.db2.gz YLYOPROHIRIDLR-PZJWPPBQSA-N 2 1 349.478 3.002 20 0 EGADMP C[NH2+][C@H](C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1cccc(Cl)c1Cl ZINC000662429837 461239626 /nfs/dbraw/zinc/23/96/26/461239626.db2.gz XSMVBWIAXDONFZ-ZFWWWQNUSA-N 2 1 346.302 3.086 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000662459298 461250915 /nfs/dbraw/zinc/25/09/15/461250915.db2.gz FXRNYUOMESGRNZ-QYZOEREBSA-N 2 1 337.552 3.111 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638280406 461345908 /nfs/dbraw/zinc/34/59/08/461345908.db2.gz FJOPRXALYYLQKT-NRSPTQNISA-N 2 1 327.516 3.428 20 0 EGADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638280406 461345924 /nfs/dbraw/zinc/34/59/24/461345924.db2.gz FJOPRXALYYLQKT-NRSPTQNISA-N 2 1 327.516 3.428 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000655712577 461383094 /nfs/dbraw/zinc/38/30/94/461383094.db2.gz UTRIVOSCEYLIBT-IRXDYDNUSA-N 2 1 328.435 3.036 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000655712577 461383101 /nfs/dbraw/zinc/38/31/01/461383101.db2.gz UTRIVOSCEYLIBT-IRXDYDNUSA-N 2 1 328.435 3.036 20 0 EGADMP Cc1ccc2c(CC[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)c[nH]c2c1 ZINC000655713523 461383122 /nfs/dbraw/zinc/38/31/22/461383122.db2.gz PRBYERRVXUJENG-LJQANCHMSA-N 2 1 341.499 3.252 20 0 EGADMP Fc1ccc(CC2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000655724073 461393589 /nfs/dbraw/zinc/39/35/89/461393589.db2.gz RRENKFKZUOGAPV-FQEVSTJZSA-N 2 1 346.490 3.381 20 0 EGADMP Cc1cc(C)cc(C[C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655730831 461399605 /nfs/dbraw/zinc/39/96/05/461399605.db2.gz UHHGTSKRVBBROI-GHTZIAJQSA-N 2 1 330.516 3.467 20 0 EGADMP CCCNc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655758932 461425373 /nfs/dbraw/zinc/42/53/73/461425373.db2.gz GHGIJWRIOCAACA-FQEVSTJZSA-N 2 1 331.504 3.242 20 0 EGADMP C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000655762089 461429003 /nfs/dbraw/zinc/42/90/03/461429003.db2.gz AKUBGAALYDNCLK-LEWJYISDSA-N 2 1 349.563 3.017 20 0 EGADMP C[C@H](CCOCc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655768943 461432683 /nfs/dbraw/zinc/43/26/83/461432683.db2.gz SQXQXPIJOUNKBJ-WIYYLYMNSA-N 2 1 346.515 3.215 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666082547 461446117 /nfs/dbraw/zinc/44/61/17/461446117.db2.gz KKSRKIANURRYME-SFHVURJKSA-N 2 1 349.950 3.205 20 0 EGADMP c1cc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)ccc1C[NH+]1CCCCC1 ZINC000663095129 461454667 /nfs/dbraw/zinc/45/46/67/461454667.db2.gz VBLSCEQIHAWZHH-LEWJYISDSA-N 2 1 344.499 3.052 20 0 EGADMP c1cc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)ccc1C[NH+]1CCCCC1 ZINC000663095129 461454672 /nfs/dbraw/zinc/45/46/72/461454672.db2.gz VBLSCEQIHAWZHH-LEWJYISDSA-N 2 1 344.499 3.052 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000663095084 461455091 /nfs/dbraw/zinc/45/50/91/461455091.db2.gz NMVYHJKBVIQQIR-LEWJYISDSA-N 2 1 344.499 3.052 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000663095084 461455099 /nfs/dbraw/zinc/45/50/99/461455099.db2.gz NMVYHJKBVIQQIR-LEWJYISDSA-N 2 1 344.499 3.052 20 0 EGADMP C[C@H](N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccn(C)n1 ZINC000666127162 461462627 /nfs/dbraw/zinc/46/26/27/461462627.db2.gz HWEKWMCTCRIQLD-MCNSAMFCSA-N 2 1 338.499 3.371 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccn(C)n1 ZINC000666127162 461462632 /nfs/dbraw/zinc/46/26/32/461462632.db2.gz HWEKWMCTCRIQLD-MCNSAMFCSA-N 2 1 338.499 3.371 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccn(C)n1 ZINC000666127162 461462639 /nfs/dbraw/zinc/46/26/39/461462639.db2.gz HWEKWMCTCRIQLD-MCNSAMFCSA-N 2 1 338.499 3.371 20 0 EGADMP CC[C@@H](CC(F)F)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000659866512 461468212 /nfs/dbraw/zinc/46/82/12/461468212.db2.gz SYRQCBBHAAZWIL-BBWFWOEESA-N 2 1 331.495 3.158 20 0 EGADMP CC[C@@H]1CN(C(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)CC[C@H]1[NH3+] ZINC000647009537 461481522 /nfs/dbraw/zinc/48/15/22/461481522.db2.gz FNIOCQXBGKEUME-IEBWSBKVSA-N 2 1 331.504 3.116 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ncc(C)o3)CC2)cs1 ZINC000638623972 461507625 /nfs/dbraw/zinc/50/76/25/461507625.db2.gz VHVCQDDQTLEQBV-UHFFFAOYSA-N 2 1 334.489 3.004 20 0 EGADMP COc1ccccc1N1CCC([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000631063360 461515643 /nfs/dbraw/zinc/51/56/43/461515643.db2.gz CNEDWBRIJSBOQQ-SFHVURJKSA-N 2 1 345.531 3.374 20 0 EGADMP c1[nH]nc2c1CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CC3)[C@H](c3ccccc3)C1)C2 ZINC000638743673 461559182 /nfs/dbraw/zinc/55/91/82/461559182.db2.gz MVMRQRBCIXIJAH-OPYAIIAOSA-N 2 1 336.483 3.225 20 0 EGADMP c1[nH]nc2c1CC[C@@H]([NH2+][C@@H]1CC[N@H+](C3CC3)[C@H](c3ccccc3)C1)C2 ZINC000638743673 461559188 /nfs/dbraw/zinc/55/91/88/461559188.db2.gz MVMRQRBCIXIJAH-OPYAIIAOSA-N 2 1 336.483 3.225 20 0 EGADMP c1cc(O[C@H]2CCOC2)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343723 461571692 /nfs/dbraw/zinc/57/16/92/461571692.db2.gz CMBCOKRPSKMGLE-FPOVZHCZSA-N 2 1 344.499 3.066 20 0 EGADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343951 461572271 /nfs/dbraw/zinc/57/22/71/461572271.db2.gz KQMHFYAJBHKDJC-LJQANCHMSA-N 2 1 338.499 3.392 20 0 EGADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343951 461572279 /nfs/dbraw/zinc/57/22/79/461572279.db2.gz KQMHFYAJBHKDJC-LJQANCHMSA-N 2 1 338.499 3.392 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc(CO)cc1 ZINC000647229544 461575163 /nfs/dbraw/zinc/57/51/63/461575163.db2.gz XSMAQKCZBUCTJL-UHFFFAOYSA-N 2 1 326.484 3.427 20 0 EGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347547 461580135 /nfs/dbraw/zinc/58/01/35/461580135.db2.gz NZRSLZBCPGHTFM-IBGZPJMESA-N 2 1 338.499 3.392 20 0 EGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347547 461580145 /nfs/dbraw/zinc/58/01/45/461580145.db2.gz NZRSLZBCPGHTFM-IBGZPJMESA-N 2 1 338.499 3.392 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3cc(F)ccc3[C@H]2C)cc1 ZINC000643058189 461599220 /nfs/dbraw/zinc/59/92/20/461599220.db2.gz LKTKDSAWINFTGE-RHSMWYFYSA-N 2 1 328.431 3.496 20 0 EGADMP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469961 461660387 /nfs/dbraw/zinc/66/03/87/461660387.db2.gz RZQXGPYGQXHUQF-TZIWHRDSSA-N 2 1 348.506 3.485 20 0 EGADMP CCn1nccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000663470247 461660874 /nfs/dbraw/zinc/66/08/74/461660874.db2.gz UDJNTZXQINVTFL-PWRODBHTSA-N 2 1 338.499 3.436 20 0 EGADMP CCn1nccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000663470247 461660882 /nfs/dbraw/zinc/66/08/82/461660882.db2.gz UDJNTZXQINVTFL-PWRODBHTSA-N 2 1 338.499 3.436 20 0 EGADMP C[C@H](c1ccsc1)[NH+]1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000660288203 461689309 /nfs/dbraw/zinc/68/93/09/461689309.db2.gz OQAIJFCCZGALPE-KZNAEPCWSA-N 2 1 335.561 3.405 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000643458594 461734881 /nfs/dbraw/zinc/73/48/81/461734881.db2.gz ISQDWIKAMJAAIO-BFLSOPEQSA-N 2 1 332.332 3.484 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@@H]1[NH3+] ZINC000647498317 461735772 /nfs/dbraw/zinc/73/57/72/461735772.db2.gz FDOWXRFETBYTEJ-XLIONFOSSA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC[C@H]1[NH3+] ZINC000647498561 461736754 /nfs/dbraw/zinc/73/67/54/461736754.db2.gz KDKRYPZULDTQPY-DNVCBOLYSA-N 2 1 330.451 3.187 20 0 EGADMP CC[C@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)CC[C@H]1[NH3+] ZINC000647498718 461736873 /nfs/dbraw/zinc/73/68/73/461736873.db2.gz OBXDYWWEDNSKGR-QFBILLFUSA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)CC[C@H]1[NH3+] ZINC000647498718 461736875 /nfs/dbraw/zinc/73/68/75/461736875.db2.gz OBXDYWWEDNSKGR-QFBILLFUSA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)CC[C@@H]1[NH3+] ZINC000647498874 461738402 /nfs/dbraw/zinc/73/84/02/461738402.db2.gz SMPMNQRTBVAFAC-QAPCUYQASA-N 2 1 332.879 3.144 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)CC[C@@H]1[NH3+] ZINC000647498874 461738410 /nfs/dbraw/zinc/73/84/10/461738410.db2.gz SMPMNQRTBVAFAC-QAPCUYQASA-N 2 1 332.879 3.144 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCC[NH2+]CC4)[C@H]3C2)cc1 ZINC000643480245 461743271 /nfs/dbraw/zinc/74/32/71/461743271.db2.gz KMXHTYNCVIKFHP-WOZUAGRISA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CCC[NH2+]CC4)[C@H]3C2)cc1 ZINC000643480245 461743279 /nfs/dbraw/zinc/74/32/79/461743279.db2.gz KMXHTYNCVIKFHP-WOZUAGRISA-N 2 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CCC[NH2+]CC4)[C@H]3C2)cc1 ZINC000643480245 461743285 /nfs/dbraw/zinc/74/32/85/461743285.db2.gz KMXHTYNCVIKFHP-WOZUAGRISA-N 2 1 327.516 3.019 20 0 EGADMP Clc1ccc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cn2c1 ZINC000647542711 461754679 /nfs/dbraw/zinc/75/46/79/461754679.db2.gz AMQSPWQDBZZSNA-HUUCEWRRSA-N 2 1 332.879 3.199 20 0 EGADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c2c(c1)OCCCO2 ZINC000647543479 461756376 /nfs/dbraw/zinc/75/63/76/461756376.db2.gz OFGNCXHOFRRQFX-IRXDYDNUSA-N 2 1 330.472 3.060 20 0 EGADMP Brc1cncc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543941 461758861 /nfs/dbraw/zinc/75/88/61/461758861.db2.gz URYDVXNDQDBTOL-CABCVRRESA-N 2 1 338.293 3.056 20 0 EGADMP c1cn(-c2csc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2)cn1 ZINC000647544081 461758900 /nfs/dbraw/zinc/75/89/00/461758900.db2.gz WMXCDIFKNMJSFZ-CVEARBPZSA-N 2 1 330.501 3.145 20 0 EGADMP Cc1cc(CO)cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[nH+]1 ZINC000663700887 461762594 /nfs/dbraw/zinc/76/25/94/461762594.db2.gz UXXRZINENSTKTI-VQIMIIECSA-N 2 1 325.456 3.347 20 0 EGADMP Cc1cc(CO)cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[nH+]1 ZINC000663700887 461762604 /nfs/dbraw/zinc/76/26/04/461762604.db2.gz UXXRZINENSTKTI-VQIMIIECSA-N 2 1 325.456 3.347 20 0 EGADMP COc1cc(F)cc(OC)c1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000639176635 461782209 /nfs/dbraw/zinc/78/22/09/461782209.db2.gz INTUPJMASYMSDW-OAHLLOKOSA-N 2 1 336.451 3.007 20 0 EGADMP C(=C/C[N@H+]1CC[C@H](c2ccncc2)C1)\C[NH+]1CC[C@H](c2ccncc2)C1 ZINC000653681283 461805250 /nfs/dbraw/zinc/80/52/50/461805250.db2.gz LCYZHJDXGVUJNL-HNSCLNPNSA-N 2 1 348.494 3.312 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000639210749 461806247 /nfs/dbraw/zinc/80/62/47/461806247.db2.gz JAFAYHOWMCNVFA-FZMZJTMJSA-N 2 1 344.286 3.394 20 0 EGADMP FC(F)(F)c1ccc(OCC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814807 461850133 /nfs/dbraw/zinc/85/01/33/461850133.db2.gz HETGVRWJWJPHOU-UHFFFAOYSA-N 2 1 328.378 3.301 20 0 EGADMP CC[C@H]1C[N@@H+](CCOc2cc(F)cc(Br)c2)CC[C@H]1[NH3+] ZINC000647934607 461893105 /nfs/dbraw/zinc/89/31/05/461893105.db2.gz KFSDNIAZJNVVFW-XHDPSFHLSA-N 2 1 345.256 3.026 20 0 EGADMP CC[C@H]1C[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC[C@@H]1[NH3+] ZINC000647936964 461894407 /nfs/dbraw/zinc/89/44/07/461894407.db2.gz OKQRMWOAWLBQOF-WMZOPIPTSA-N 2 1 349.494 3.012 20 0 EGADMP CC[C@H]1C[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC[C@@H]1[NH3+] ZINC000647936964 461894415 /nfs/dbraw/zinc/89/44/15/461894415.db2.gz OKQRMWOAWLBQOF-WMZOPIPTSA-N 2 1 349.494 3.012 20 0 EGADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000656785514 461895354 /nfs/dbraw/zinc/89/53/54/461895354.db2.gz LFHZMSWTCRBMDJ-GOSISDBHSA-N 2 1 332.488 3.306 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000647938873 461895759 /nfs/dbraw/zinc/89/57/59/461895759.db2.gz WINZAFPRCHJZBM-YLJYHZDGSA-N 2 1 337.467 3.498 20 0 EGADMP Cn1c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)nc2cc(Cl)ccc21 ZINC000656787490 461897773 /nfs/dbraw/zinc/89/77/73/461897773.db2.gz ZJJJRBRPOZXSNY-HNNXBMFYSA-N 2 1 346.906 3.438 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(F)c4cccnc34)C2)C1 ZINC000650707061 461899266 /nfs/dbraw/zinc/89/92/66/461899266.db2.gz XSGRQDISWSHKAB-ZSZQSSIHSA-N 2 1 343.446 3.092 20 0 EGADMP [NH3+]C1(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CCCC1 ZINC000656788846 461899879 /nfs/dbraw/zinc/89/98/79/461899879.db2.gz DQYFAJLIOYABBD-UHFFFAOYSA-N 2 1 338.377 3.252 20 0 EGADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000656789386 461899967 /nfs/dbraw/zinc/89/99/67/461899967.db2.gz NTMUXYMOZPTPEZ-UHFFFAOYSA-N 2 1 338.377 3.457 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc2cccnc12 ZINC000650707219 461900414 /nfs/dbraw/zinc/90/04/14/461900414.db2.gz ANIXLCCFDLFHJJ-SLFFLAALSA-N 2 1 339.483 3.262 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)s3)C2)C1 ZINC000650707353 461900984 /nfs/dbraw/zinc/90/09/84/461900984.db2.gz DHJMQMWYKPVMSL-OUCADQQQSA-N 2 1 348.434 3.485 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)[C@@H]1CC[NH3+] ZINC000650711510 461905667 /nfs/dbraw/zinc/90/56/67/461905667.db2.gz WCGFXSBKUGYQAZ-NSISKUIASA-N 2 1 332.488 3.194 20 0 EGADMP C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654990 461905833 /nfs/dbraw/zinc/90/58/33/461905833.db2.gz JXLQMSBCMFIGPQ-BEFAXECRSA-N 2 1 326.444 3.215 20 0 EGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000647965113 461910919 /nfs/dbraw/zinc/91/09/19/461910919.db2.gz HEPOCSUPUSGJFD-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000647965113 461910926 /nfs/dbraw/zinc/91/09/26/461910926.db2.gz HEPOCSUPUSGJFD-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000647965113 461910933 /nfs/dbraw/zinc/91/09/33/461910933.db2.gz HEPOCSUPUSGJFD-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@H+]1CC[C@]2(C1)CCCN(CCSc1ccc(F)cc1F)C2 ZINC000660664657 461912707 /nfs/dbraw/zinc/91/27/07/461912707.db2.gz RISYUQUBWAWQHA-KRWDZBQOSA-N 2 1 326.456 3.475 20 0 EGADMP Cc1ccc2cc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)ccc2n1 ZINC000650723350 461913992 /nfs/dbraw/zinc/91/39/92/461913992.db2.gz MGWDQDKXGWKJIE-HMXCVIKNSA-N 2 1 339.483 3.404 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(F)cc2Cl)C1 ZINC000650724070 461915954 /nfs/dbraw/zinc/91/59/54/461915954.db2.gz XWDPWFQFTAATKB-OIISXLGYSA-N 2 1 326.843 3.340 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975328 461917717 /nfs/dbraw/zinc/91/77/17/461917717.db2.gz WIFKUCHHGXQMFZ-HOTGVXAUSA-N 2 1 349.906 3.299 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000647976270 461918170 /nfs/dbraw/zinc/91/81/70/461918170.db2.gz MGGUHLBZWSFGMA-BBWFWOEESA-N 2 1 347.478 3.173 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC000647976112 461919035 /nfs/dbraw/zinc/91/90/35/461919035.db2.gz KECWMMSEWRHIQK-ULQDDVLXSA-N 2 1 347.478 3.173 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000647976272 461919162 /nfs/dbraw/zinc/91/91/62/461919162.db2.gz MGGUHLBZWSFGMA-ULQDDVLXSA-N 2 1 347.478 3.173 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc3c(c1)CCC(C)(C)O3)CCO2 ZINC000648071514 461968535 /nfs/dbraw/zinc/96/85/35/461968535.db2.gz GITWVHWJCXKZRL-UHFFFAOYSA-N 2 1 344.499 3.087 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc3c(c1)CCC(C)(C)O3)CCO2 ZINC000648071514 461968540 /nfs/dbraw/zinc/96/85/40/461968540.db2.gz GITWVHWJCXKZRL-UHFFFAOYSA-N 2 1 344.499 3.087 20 0 EGADMP CCc1cccc2cc(C[NH2+]CCCCN3CC[NH+](C)CC3)oc21 ZINC000657308409 462032283 /nfs/dbraw/zinc/03/22/83/462032283.db2.gz RUPITJDQQDNZMG-UHFFFAOYSA-N 2 1 329.488 3.112 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnc3n2CCC3)cc1 ZINC000657310715 462034368 /nfs/dbraw/zinc/03/43/68/462034368.db2.gz RPTOFJBVDDQUKX-QGZVFWFLSA-N 2 1 338.499 3.494 20 0 EGADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc(F)c(F)c2F)cc1 ZINC000657315404 462038818 /nfs/dbraw/zinc/03/88/18/462038818.db2.gz LZQXTLYWAZOVFY-UHFFFAOYSA-N 2 1 338.373 3.334 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000657318819 462042627 /nfs/dbraw/zinc/04/26/27/462042627.db2.gz OUUVDLNIMXNWGS-INIZCTEOSA-N 2 1 332.488 3.064 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657348031 462062138 /nfs/dbraw/zinc/06/21/38/462062138.db2.gz ZSTRAGVAJFBHBQ-NSHDSACASA-N 2 1 327.350 3.358 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000657347964 462062288 /nfs/dbraw/zinc/06/22/88/462062288.db2.gz YVXPTMSNBZSLLJ-HZPDHXFCSA-N 2 1 331.460 3.031 20 0 EGADMP CC[N@@H+](CCCNC(=O)N[C@@H]1C[C@@H](C)n2ccnc21)C1CCCCC1 ZINC000651138361 462103571 /nfs/dbraw/zinc/10/35/71/462103571.db2.gz FUKCSFPGGVPBEJ-NVXWUHKLSA-N 2 1 347.507 3.233 20 0 EGADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CCO1 ZINC000648413184 462107824 /nfs/dbraw/zinc/10/78/24/462107824.db2.gz DXGFPICZVAABLO-KJNZLNQQSA-N 2 1 346.515 3.343 20 0 EGADMP Cc1[nH+]cc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1C ZINC000667618248 462175893 /nfs/dbraw/zinc/17/58/93/462175893.db2.gz QVVJZNAXNCBSFC-QFBILLFUSA-N 2 1 326.488 3.213 20 0 EGADMP Cc1[nH+]cc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1C ZINC000667618248 462175900 /nfs/dbraw/zinc/17/59/00/462175900.db2.gz QVVJZNAXNCBSFC-QFBILLFUSA-N 2 1 326.488 3.213 20 0 EGADMP CC(C)(C)[N@@H+]1CC[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000657563740 462181577 /nfs/dbraw/zinc/18/15/77/462181577.db2.gz UWLLZPLERMWDPH-IBGZPJMESA-N 2 1 345.531 3.124 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000657563740 462181583 /nfs/dbraw/zinc/18/15/83/462181583.db2.gz UWLLZPLERMWDPH-IBGZPJMESA-N 2 1 345.531 3.124 20 0 EGADMP c1cc(O[C@@H]2CCOC2)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000667671335 462205287 /nfs/dbraw/zinc/20/52/87/462205287.db2.gz PBNOVSKATOGGMB-PZJWPPBQSA-N 2 1 344.499 3.162 20 0 EGADMP c1cc(O[C@@H]2CCOC2)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000667671335 462205295 /nfs/dbraw/zinc/20/52/95/462205295.db2.gz PBNOVSKATOGGMB-PZJWPPBQSA-N 2 1 344.499 3.162 20 0 EGADMP Fc1ccc(COc2ccccc2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000667713005 462227677 /nfs/dbraw/zinc/22/76/77/462227677.db2.gz VGYWNLQYWSRTBY-CALCHBBNSA-N 2 1 344.405 3.195 20 0 EGADMP Fc1ccc(COc2ccccc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000667713005 462227685 /nfs/dbraw/zinc/22/76/85/462227685.db2.gz VGYWNLQYWSRTBY-CALCHBBNSA-N 2 1 344.405 3.195 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667731561 462235379 /nfs/dbraw/zinc/23/53/79/462235379.db2.gz XEVWBKMCSHTRMW-UHFFFAOYSA-N 2 1 340.471 3.307 20 0 EGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000651673074 462299210 /nfs/dbraw/zinc/29/92/10/462299210.db2.gz VMINXRMZGMDJPK-MRXNPFEDSA-N 2 1 337.471 3.420 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc2ccncc2s1 ZINC000657878360 462305414 /nfs/dbraw/zinc/30/54/14/462305414.db2.gz GYFOKKIWNITYLA-GOEBONIOSA-N 2 1 333.501 3.184 20 0 EGADMP COC1([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CCC1 ZINC000657878367 462306001 /nfs/dbraw/zinc/30/60/01/462306001.db2.gz MJKDHXBVYAZTFU-MRXNPFEDSA-N 2 1 335.492 3.051 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(OCC)CC2)[C@H](C)C1 ZINC000657884205 462306882 /nfs/dbraw/zinc/30/68/82/462306882.db2.gz MXNRTSRRKAFAEJ-UGXKVIGPSA-N 2 1 326.525 3.061 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(C(F)F)nc1 ZINC000657889778 462308923 /nfs/dbraw/zinc/30/89/23/462308923.db2.gz ZDQJSPSAQSYGPS-UONOGXRCSA-N 2 1 339.430 3.171 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc3cnccc3o2)[C@@H](C)C1 ZINC000651710231 462310734 /nfs/dbraw/zinc/31/07/34/462310734.db2.gz VIKAPXHRMJBSRF-MAUKXSAKSA-N 2 1 331.460 3.054 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc3cnccc3o2)[C@@H](C)C1 ZINC000651710231 462310739 /nfs/dbraw/zinc/31/07/39/462310739.db2.gz VIKAPXHRMJBSRF-MAUKXSAKSA-N 2 1 331.460 3.054 20 0 EGADMP OCC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2c2ccccc2Cl)CC1 ZINC000657942943 462324542 /nfs/dbraw/zinc/32/45/42/462324542.db2.gz GHYUXILKBWIBDT-MJGOQNOKSA-N 2 1 336.907 3.413 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657992317 462339695 /nfs/dbraw/zinc/33/96/95/462339695.db2.gz GWSWGRMFQKSXMN-KGLIPLIRSA-N 2 1 327.419 3.171 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657992317 462339697 /nfs/dbraw/zinc/33/96/97/462339697.db2.gz GWSWGRMFQKSXMN-KGLIPLIRSA-N 2 1 327.419 3.171 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)CC2 ZINC000665251380 462368566 /nfs/dbraw/zinc/36/85/66/462368566.db2.gz NYXSQNCHHYVOHT-KSEOMHKRSA-N 2 1 336.479 3.288 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C1(CO)CC1 ZINC000658154238 462408634 /nfs/dbraw/zinc/40/86/34/462408634.db2.gz KHEHFAYZUNIVRG-MTFMMBMASA-N 2 1 328.500 3.180 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCC(=O)Nc1ccccc1F ZINC000640532349 462431523 /nfs/dbraw/zinc/43/15/23/462431523.db2.gz XSZBUHSLEJDYCU-UHFFFAOYSA-N 2 1 335.467 3.352 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000640534579 462432786 /nfs/dbraw/zinc/43/27/86/462432786.db2.gz QABYXBPDYGDDCB-LJQANCHMSA-N 2 1 335.536 3.118 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652135345 462444873 /nfs/dbraw/zinc/44/48/73/462444873.db2.gz NVEBCMOISGZTFG-INIZCTEOSA-N 2 1 336.476 3.237 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](CO)CC2CC2)CC1 ZINC000658256992 462445678 /nfs/dbraw/zinc/44/56/78/462445678.db2.gz XYSYAHWLWWRFIP-QNGMFEMESA-N 2 1 330.516 3.428 20 0 EGADMP CC[N@@H+](CCC[NH2+][C@H](COC)C1CCOCC1)C1CCCCC1 ZINC000652238162 462485363 /nfs/dbraw/zinc/48/53/63/462485363.db2.gz VSAXIDDKLJPVQW-LJQANCHMSA-N 2 1 326.525 3.062 20 0 EGADMP O[C@H]1CC[N@H+](C2CC[NH+](CC3CCC(c4ccccc4)CC3)CC2)C1 ZINC000662150915 462532138 /nfs/dbraw/zinc/53/21/38/462532138.db2.gz CBHHHDQKXUNTNA-ZNIKRAEXSA-N 2 1 342.527 3.491 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000178254765 533808429 /nfs/dbraw/zinc/80/84/29/533808429.db2.gz NHYFDKOEFPNZCI-KRWDZBQOSA-N 3 1 345.531 3.152 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000181519703 527987741 /nfs/dbraw/zinc/98/77/41/527987741.db2.gz BWQQTYGMJSXIJM-MFEFFIJZSA-N 2 1 336.545 3.443 20 0 EGADMP CC[NH+](CC)CCC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000131421968 528112880 /nfs/dbraw/zinc/11/28/80/528112880.db2.gz YDFCGNMOOXKCJE-UHFFFAOYSA-N 2 1 335.511 3.154 20 0 EGADMP CCOc1ccc(CC[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)cc1OCC ZINC000154900925 528425330 /nfs/dbraw/zinc/42/53/30/528425330.db2.gz QCILPDQFWAWPJC-AEFFLSMTSA-N 2 1 334.504 3.346 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)CC1 ZINC000155417644 546902009 /nfs/dbraw/zinc/90/20/09/546902009.db2.gz HMQWLRSZNAUIOS-RDTXWAMCSA-N 2 1 345.487 3.321 20 0 EGADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166350462 546987952 /nfs/dbraw/zinc/98/79/52/546987952.db2.gz XKDOZPCVGDVOSD-PZJWPPBQSA-N 2 1 338.499 3.330 20 0 EGADMP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC2 ZINC000174983059 547008341 /nfs/dbraw/zinc/00/83/41/547008341.db2.gz GZWVTXYMNUIIDV-NRFANRHFSA-N 2 1 340.442 3.435 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCCCn1cc[nH+]c1C)CC2 ZINC000279970107 547369024 /nfs/dbraw/zinc/36/90/24/547369024.db2.gz CYDRVUQWQNEESN-KRWDZBQOSA-N 2 1 329.444 3.266 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000339072790 547569521 /nfs/dbraw/zinc/56/95/21/547569521.db2.gz XTSDZLCVIUMSIZ-HKBOAZHASA-N 2 1 329.532 3.156 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000401761702 547838045 /nfs/dbraw/zinc/83/80/45/547838045.db2.gz INYDQARQPIWDDZ-UHFFFAOYSA-N 2 1 328.641 3.168 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412006095 547843795 /nfs/dbraw/zinc/84/37/95/547843795.db2.gz HGOGYYDFKLFCSB-LJQANCHMSA-N 2 1 327.472 3.236 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3scnc3C3CC3)CC2)CC1 ZINC000494943795 547993740 /nfs/dbraw/zinc/99/37/40/547993740.db2.gz ZVPNQMJKBJVHIB-UHFFFAOYSA-N 2 1 348.560 3.011 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000673652010 548590093 /nfs/dbraw/zinc/59/00/93/548590093.db2.gz XKKRLAPXQLLFOS-UXHICEINSA-N 2 1 345.531 3.135 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+]CCN3Cc4ccccc4C3)CC2)cc1 ZINC000675780087 548979675 /nfs/dbraw/zinc/97/96/75/548979675.db2.gz LEUOBZHBLAEANV-UHFFFAOYSA-N 2 1 349.522 3.299 20 0 EGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675883120 548996155 /nfs/dbraw/zinc/99/61/55/548996155.db2.gz WRXLSFQTMZRGRY-FPOVZHCZSA-N 2 1 344.499 3.306 20 0 EGADMP CC1(C)C[C@H](N[C@H]2CC[NH+]3CCC[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000677748088 549325243 /nfs/dbraw/zinc/32/52/43/549325243.db2.gz DTWYQXJEBZYXSZ-UFYCRDLUSA-N 2 1 327.516 3.256 20 0 EGADMP CC1(C)C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC000677748088 549325244 /nfs/dbraw/zinc/32/52/44/549325244.db2.gz DTWYQXJEBZYXSZ-UFYCRDLUSA-N 2 1 327.516 3.256 20 0 EGADMP CC1(C)C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC000677748088 549325246 /nfs/dbraw/zinc/32/52/46/549325246.db2.gz DTWYQXJEBZYXSZ-UFYCRDLUSA-N 2 1 327.516 3.256 20 0 EGADMP OCC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCCC1 ZINC000678596016 549527063 /nfs/dbraw/zinc/52/70/63/549527063.db2.gz NVVWIHPMNKWDIN-UHFFFAOYSA-N 2 1 348.506 3.365 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCCc2cnn(C)c2)CC1)CC(C)C ZINC000678634667 549535533 /nfs/dbraw/zinc/53/55/33/549535533.db2.gz KXEPLFCGOWWYNF-UHFFFAOYSA-N 2 1 334.552 3.433 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1(CC)CC ZINC000678926971 549596854 /nfs/dbraw/zinc/59/68/54/549596854.db2.gz DXVBHRVRCCPXJG-GUDVDZBRSA-N 2 1 338.536 3.203 20 0 EGADMP OC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000679721608 549768590 /nfs/dbraw/zinc/76/85/90/549768590.db2.gz PJBKEALBKNDJID-XUVXKRRUSA-N 2 1 328.500 3.182 20 0 EGADMP COc1ccc(COCC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000680401248 549862528 /nfs/dbraw/zinc/86/25/28/549862528.db2.gz LSIZWMJTUVNMIF-HKUYNNGSSA-N 2 1 346.515 3.454 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3cnccc3c2)[C@H](C)C1 ZINC000683769873 550259598 /nfs/dbraw/zinc/25/95/98/550259598.db2.gz FOFWJMUASNQWNZ-DYESRHJHSA-N 2 1 341.499 3.461 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cccnc32)[C@@H](C)C1 ZINC000684957882 550388396 /nfs/dbraw/zinc/38/83/96/550388396.db2.gz ZKYBISCUAAUMFU-WDSOQIARSA-N 2 1 331.504 3.186 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3cccnc32)[C@@H](C)C1 ZINC000684957882 550388399 /nfs/dbraw/zinc/38/83/99/550388399.db2.gz ZKYBISCUAAUMFU-WDSOQIARSA-N 2 1 331.504 3.186 20 0 EGADMP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685471426 550421325 /nfs/dbraw/zinc/42/13/25/550421325.db2.gz VVJZTEDTUQPDAI-IBGZPJMESA-N 2 1 342.487 3.304 20 0 EGADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCOC(C)(C)C1 ZINC000685849217 550448140 /nfs/dbraw/zinc/44/81/40/550448140.db2.gz OLZYFUAICCSLNI-SFHVURJKSA-N 2 1 334.504 3.407 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000685850672 550448251 /nfs/dbraw/zinc/44/82/51/550448251.db2.gz CVOVWRCELWQDMK-VQTJNVASSA-N 2 1 344.499 3.161 20 0 EGADMP CCc1ccc2c(C[N@H+]3CCC[C@@H](n4ccnc4)C3)cc(=O)oc2c1 ZINC000729265865 574834763 /nfs/dbraw/zinc/83/47/63/574834763.db2.gz QTHZPHQCLLQTBP-QGZVFWFLSA-N 2 1 337.423 3.389 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC000729348140 574844909 /nfs/dbraw/zinc/84/49/09/574844909.db2.gz MFTITTNIOKOPOA-OTWHNJEPSA-N 2 1 335.536 3.116 20 0 EGADMP CC(C)Cc1ccc([C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C2CC2)cc1 ZINC000685571639 576192882 /nfs/dbraw/zinc/19/28/82/576192882.db2.gz LPTQHKDRNZAMJS-RTWAWAEBSA-N 2 1 330.516 3.381 20 0 EGADMP CC(C)Cc1ccc([C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C2CC2)cc1 ZINC000685571639 576192884 /nfs/dbraw/zinc/19/28/84/576192884.db2.gz LPTQHKDRNZAMJS-RTWAWAEBSA-N 2 1 330.516 3.381 20 0 EGADMP CCn1c2ccccc2n(C[NH+]2CCC(C[NH+](C)C)CC2)c1=S ZINC000738076740 576285323 /nfs/dbraw/zinc/28/53/23/576285323.db2.gz OIOUSPLKYJJSBT-UHFFFAOYSA-N 2 1 332.517 3.423 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)N3CCCC3)cc2)C[C@@H]1C ZINC000740886098 576633866 /nfs/dbraw/zinc/63/38/66/576633866.db2.gz GGWTZYCTRPGNFX-PXNSSMCTSA-N 2 1 343.515 3.227 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)N3CCCC3)cc2)C[C@@H]1C ZINC000740886098 576633869 /nfs/dbraw/zinc/63/38/69/576633869.db2.gz GGWTZYCTRPGNFX-PXNSSMCTSA-N 2 1 343.515 3.227 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)N3CCCC3)cc2)C[C@@H]1C ZINC000740886098 576633871 /nfs/dbraw/zinc/63/38/71/576633871.db2.gz GGWTZYCTRPGNFX-PXNSSMCTSA-N 2 1 343.515 3.227 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)N3CCCC3)cc2)C[C@@H]1C ZINC000740886098 576633874 /nfs/dbraw/zinc/63/38/74/576633874.db2.gz GGWTZYCTRPGNFX-PXNSSMCTSA-N 2 1 343.515 3.227 20 0 EGADMP Cc1c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)sc2nc(C)nc(C)c12 ZINC000030906899 1291356838 /nfs/dbraw/zinc/35/68/38/1291356838.db2.gz OGBAQKJLHKOORH-AWEZNQCLSA-N 2 1 330.501 3.190 20 0 EGADMP CC(C)C[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC000058884045 1291905759 /nfs/dbraw/zinc/90/57/59/1291905759.db2.gz NAWOOHVWLXSKDM-NSHGMRRFSA-N 2 1 349.563 3.218 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000067222642 1292154554 /nfs/dbraw/zinc/15/45/54/1292154554.db2.gz GBKCNHYKYRIMNM-GOSISDBHSA-N 2 1 339.483 3.482 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000067222642 1292154559 /nfs/dbraw/zinc/15/45/59/1292154559.db2.gz GBKCNHYKYRIMNM-GOSISDBHSA-N 2 1 339.483 3.482 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000067222688 1292154648 /nfs/dbraw/zinc/15/46/48/1292154648.db2.gz VLXJZJSYHSTWLH-FQEVSTJZSA-N 2 1 339.483 3.482 20 0 EGADMP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000073184199 1292309398 /nfs/dbraw/zinc/30/93/98/1292309398.db2.gz PKZJKJGPKOIZQT-IBGZPJMESA-N 2 1 336.439 3.136 20 0 EGADMP O=C(CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)NC1CCCCC1 ZINC000077374540 1292460858 /nfs/dbraw/zinc/46/08/58/1292460858.db2.gz QRBFOZRBCQFRBO-UHFFFAOYSA-N 2 1 343.515 3.080 20 0 EGADMP CCCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1OCC ZINC000078911084 1292535161 /nfs/dbraw/zinc/53/51/61/1292535161.db2.gz ZURDTDSJOHCVJJ-QGZVFWFLSA-N 2 1 332.488 3.448 20 0 EGADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cn1cc[nH]c1=S ZINC000092294977 1292860237 /nfs/dbraw/zinc/86/02/37/1292860237.db2.gz QFEOGVRVENBCMQ-UHFFFAOYSA-N 2 1 331.489 3.137 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cn1cc[nH]c1=S ZINC000092294977 1292860245 /nfs/dbraw/zinc/86/02/45/1292860245.db2.gz QFEOGVRVENBCMQ-UHFFFAOYSA-N 2 1 331.489 3.137 20 0 EGADMP COc1cc(OC)c(OC)cc1C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116379566 1293203987 /nfs/dbraw/zinc/20/39/87/1293203987.db2.gz VRLLTTYILRUGTL-SFHVURJKSA-N 2 1 338.492 3.168 20 0 EGADMP CCOc1cccc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)c1OC(F)F ZINC000120786671 1293338993 /nfs/dbraw/zinc/33/89/93/1293338993.db2.gz OARWYTZFEHXQOF-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP CCOc1cccc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)c1OC(F)F ZINC000120786671 1293338999 /nfs/dbraw/zinc/33/89/99/1293338999.db2.gz OARWYTZFEHXQOF-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP CC[C@H]1CC(=O)N(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000125492625 1293508710 /nfs/dbraw/zinc/50/87/10/1293508710.db2.gz YRVICSAJDWRKIZ-ROUUACIJSA-N 2 1 335.536 3.179 20 0 EGADMP CC[C@H]1CC(=O)N(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000125492625 1293508713 /nfs/dbraw/zinc/50/87/13/1293508713.db2.gz YRVICSAJDWRKIZ-ROUUACIJSA-N 2 1 335.536 3.179 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000151939449 1293945872 /nfs/dbraw/zinc/94/58/72/1293945872.db2.gz SVPPTTSRNCLDRZ-OAHLLOKOSA-N 2 1 330.451 3.426 20 0 EGADMP C[S@](=O)c1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000155709082 1294110334 /nfs/dbraw/zinc/11/03/34/1294110334.db2.gz IGPRVOPCORFHLQ-HSZRJFAPSA-N 2 1 334.529 3.168 20 0 EGADMP O=C(Nc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1)c1ccco1 ZINC000166071937 1294360402 /nfs/dbraw/zinc/36/04/02/1294360402.db2.gz JVVVSPIMZPLUBM-FUHWJXTLSA-N 2 1 339.439 3.248 20 0 EGADMP O=C(Nc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1)c1ccco1 ZINC000166071937 1294360406 /nfs/dbraw/zinc/36/04/06/1294360406.db2.gz JVVVSPIMZPLUBM-FUHWJXTLSA-N 2 1 339.439 3.248 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)C(C)(C)C1(C)C ZINC000177686150 1294687267 /nfs/dbraw/zinc/68/72/67/1294687267.db2.gz RLFNAKDMWIYVLU-UHFFFAOYSA-N 2 1 331.504 3.175 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)C(C)(C)C1(C)C ZINC000177686150 1294687282 /nfs/dbraw/zinc/68/72/82/1294687282.db2.gz RLFNAKDMWIYVLU-UHFFFAOYSA-N 2 1 331.504 3.175 20 0 EGADMP CC/C=C(\C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000178876541 1294760051 /nfs/dbraw/zinc/76/00/51/1294760051.db2.gz BMYBFOAVESHSMS-OGDZXRRGSA-N 2 1 335.536 3.138 20 0 EGADMP Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000179435735 1294793755 /nfs/dbraw/zinc/79/37/55/1294793755.db2.gz DKTMXPQIFBURLB-LJQANCHMSA-N 2 1 349.482 3.120 20 0 EGADMP CC[NH+](CC)CCC[NH+]1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000189929607 1295552317 /nfs/dbraw/zinc/55/23/17/1295552317.db2.gz GRNOEPSFSXBPSC-MRXNPFEDSA-N 2 1 341.540 3.344 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870867414 1296121259 /nfs/dbraw/zinc/12/12/59/1296121259.db2.gz LMPVOGAPJABUPS-ABSDTBQOSA-N 2 1 343.515 3.195 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCCCC[NH3+])C1 ZINC000237503711 1296247893 /nfs/dbraw/zinc/24/78/93/1296247893.db2.gz QYGHBPDOMNKDSK-KRWDZBQOSA-N 2 1 331.504 3.054 20 0 EGADMP CCCCC[C@H](C)NC(=O)CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248547842 1296419268 /nfs/dbraw/zinc/41/92/68/1296419268.db2.gz FHYWCUWUBLJLGP-BZSNNMDCSA-N 2 1 337.552 3.314 20 0 EGADMP CCCCC[C@H](C)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248547842 1296419272 /nfs/dbraw/zinc/41/92/72/1296419272.db2.gz FHYWCUWUBLJLGP-BZSNNMDCSA-N 2 1 337.552 3.314 20 0 EGADMP CCCCC[C@H](C)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248547842 1296419282 /nfs/dbraw/zinc/41/92/82/1296419282.db2.gz FHYWCUWUBLJLGP-BZSNNMDCSA-N 2 1 337.552 3.314 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000261592150 1296593629 /nfs/dbraw/zinc/59/36/29/1296593629.db2.gz YJBFSPFXTZWUQS-CIAFKFPVSA-N 3 1 341.543 3.409 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000261592150 1296593636 /nfs/dbraw/zinc/59/36/36/1296593636.db2.gz YJBFSPFXTZWUQS-CIAFKFPVSA-N 2 1 341.543 3.409 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000261592150 1296593643 /nfs/dbraw/zinc/59/36/43/1296593643.db2.gz YJBFSPFXTZWUQS-CIAFKFPVSA-N 2 1 341.543 3.409 20 0 EGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000300366721 1296781766 /nfs/dbraw/zinc/78/17/66/1296781766.db2.gz FSQYJKSIFXXWOW-HOTGVXAUSA-N 2 1 327.513 3.144 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000300366721 1296781780 /nfs/dbraw/zinc/78/17/80/1296781780.db2.gz FSQYJKSIFXXWOW-HOTGVXAUSA-N 2 1 327.513 3.144 20 0 EGADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc(F)ccc2F)CC1 ZINC000304729742 1296936478 /nfs/dbraw/zinc/93/64/78/1296936478.db2.gz STVZHXRNCWQQDS-UHFFFAOYSA-N 2 1 346.421 3.211 20 0 EGADMP CO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308401850 1297069001 /nfs/dbraw/zinc/06/90/01/1297069001.db2.gz XIMKFXSBURFKHB-HSALFYBXSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000310095180 1297089026 /nfs/dbraw/zinc/08/90/26/1297089026.db2.gz UOUNZMUEQKCEKE-WIYYLYMNSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]([NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000310095180 1297089040 /nfs/dbraw/zinc/08/90/40/1297089040.db2.gz UOUNZMUEQKCEKE-WIYYLYMNSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000310095179 1297089789 /nfs/dbraw/zinc/08/97/89/1297089789.db2.gz UOUNZMUEQKCEKE-RXVVDRJESA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000310095179 1297089805 /nfs/dbraw/zinc/08/98/05/1297089805.db2.gz UOUNZMUEQKCEKE-RXVVDRJESA-N 2 1 329.532 3.219 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000320688043 1297169186 /nfs/dbraw/zinc/16/91/86/1297169186.db2.gz DGMUTEFJBQVSOH-XJKSGUPXSA-N 2 1 330.394 3.059 20 0 EGADMP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1cc(F)c(F)c(F)c1 ZINC000873207263 1297352656 /nfs/dbraw/zinc/35/26/56/1297352656.db2.gz UDQSCKMWTLHFJX-UHFFFAOYSA-N 2 1 326.387 3.443 20 0 EGADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1cc(F)c(F)c(F)c1 ZINC000873207263 1297352667 /nfs/dbraw/zinc/35/26/67/1297352667.db2.gz UDQSCKMWTLHFJX-UHFFFAOYSA-N 2 1 326.387 3.443 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)C[C@@H]1C(F)(F)F ZINC000873229146 1297369748 /nfs/dbraw/zinc/36/97/48/1297369748.db2.gz YABWFVJRXGIHIX-ZBFHGGJFSA-N 2 1 328.378 3.044 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCC3CC3)cc2)C[C@@H]1C(F)(F)F ZINC000873229146 1297369761 /nfs/dbraw/zinc/36/97/61/1297369761.db2.gz YABWFVJRXGIHIX-ZBFHGGJFSA-N 2 1 328.378 3.044 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000355859080 1297460645 /nfs/dbraw/zinc/46/06/45/1297460645.db2.gz VYOWXUYYXDUNFM-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000355859080 1297460650 /nfs/dbraw/zinc/46/06/50/1297460650.db2.gz VYOWXUYYXDUNFM-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000355859080 1297460654 /nfs/dbraw/zinc/46/06/54/1297460654.db2.gz VYOWXUYYXDUNFM-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H](CCNC(=O)[C@@H]([NH3+])CC1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000379664709 1297537776 /nfs/dbraw/zinc/53/77/76/1297537776.db2.gz QAJYWRGNYMQOBB-PXNSSMCTSA-N 2 1 345.531 3.311 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000381043253 1297549913 /nfs/dbraw/zinc/54/99/13/1297549913.db2.gz FCGMBTZNBZNWMX-OWCLPIDISA-N 2 1 327.513 3.141 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000381043253 1297549908 /nfs/dbraw/zinc/54/99/08/1297549908.db2.gz FCGMBTZNBZNWMX-OWCLPIDISA-N 2 1 327.513 3.141 20 0 EGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(Br)o1)CC2 ZINC000691902601 1298139087 /nfs/dbraw/zinc/13/90/87/1298139087.db2.gz HTRSWNNBVVAKQV-UHFFFAOYSA-N 2 1 327.266 3.350 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000708522882 1298239189 /nfs/dbraw/zinc/23/91/89/1298239189.db2.gz YFRBMEASWZHOLG-PKOBYXMFSA-N 2 1 344.499 3.030 20 0 EGADMP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C12CCC2 ZINC000708524463 1298240796 /nfs/dbraw/zinc/24/07/96/1298240796.db2.gz SLACIYOIXNTTOI-OJAHFUOMSA-N 2 1 328.500 3.302 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000709341868 1298248614 /nfs/dbraw/zinc/24/86/14/1298248614.db2.gz GQYHBKFYMHBOFX-XVBAFREPSA-N 2 1 327.516 3.158 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CCN1Cc1ccccc1 ZINC000709341868 1298248622 /nfs/dbraw/zinc/24/86/22/1298248622.db2.gz GQYHBKFYMHBOFX-XVBAFREPSA-N 2 1 327.516 3.158 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000709341868 1298248626 /nfs/dbraw/zinc/24/86/26/1298248626.db2.gz GQYHBKFYMHBOFX-XVBAFREPSA-N 3 1 327.516 3.158 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000709341868 1298248637 /nfs/dbraw/zinc/24/86/37/1298248637.db2.gz GQYHBKFYMHBOFX-XVBAFREPSA-N 3 1 327.516 3.158 20 0 EGADMP OCc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000714966778 1298275169 /nfs/dbraw/zinc/27/51/69/1298275169.db2.gz LYTLDSWVPHBBAQ-RXVVDRJESA-N 2 1 337.467 3.065 20 0 EGADMP CC[C@@H](C)C[C@@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000717501628 1298303105 /nfs/dbraw/zinc/30/31/05/1298303105.db2.gz FTSIYBOWPZCWSB-YLJYHZDGSA-N 2 1 345.531 3.121 20 0 EGADMP O=C1CC2(CCCC2)CN1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000747451508 1298781784 /nfs/dbraw/zinc/78/17/84/1298781784.db2.gz FLLFCKUSMOOWHA-UHFFFAOYSA-N 2 1 347.547 3.325 20 0 EGADMP CC1(C)CC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC(C)(C)[NH2+]1 ZINC000748837445 1299091485 /nfs/dbraw/zinc/09/14/85/1299091485.db2.gz JTTVCHZPHBFIDR-OAHLLOKOSA-N 2 1 335.536 3.066 20 0 EGADMP C[N@H+]1CCC[C@@H](CNCc2ccc(Cl)nn2)[C@@H]1c1cccs1 ZINC000877055052 1299134592 /nfs/dbraw/zinc/13/45/92/1299134592.db2.gz OBENPRTWXYEZMP-BLLLJJGKSA-N 2 1 336.892 3.364 20 0 EGADMP CN1CCC[C@@H](C[NH2+]Cc2ccc(Cl)nn2)[C@@H]1c1cccs1 ZINC000877055052 1299134599 /nfs/dbraw/zinc/13/45/99/1299134599.db2.gz OBENPRTWXYEZMP-BLLLJJGKSA-N 2 1 336.892 3.364 20 0 EGADMP Cc1nnc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)s1 ZINC000877537379 1299379061 /nfs/dbraw/zinc/37/90/61/1299379061.db2.gz LRIKFCAYWZSBIH-AEFFLSMTSA-N 2 1 342.512 3.347 20 0 EGADMP Cc1nnc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)s1 ZINC000877537379 1299379073 /nfs/dbraw/zinc/37/90/73/1299379073.db2.gz LRIKFCAYWZSBIH-AEFFLSMTSA-N 2 1 342.512 3.347 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000878198469 1299817232 /nfs/dbraw/zinc/81/72/32/1299817232.db2.gz XGGNGJVBXRIYTR-QXAKKESOSA-N 2 1 329.488 3.128 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000878198469 1299817243 /nfs/dbraw/zinc/81/72/43/1299817243.db2.gz XGGNGJVBXRIYTR-QXAKKESOSA-N 2 1 329.488 3.128 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000878198469 1299817256 /nfs/dbraw/zinc/81/72/56/1299817256.db2.gz XGGNGJVBXRIYTR-QXAKKESOSA-N 2 1 329.488 3.128 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000878198469 1299817270 /nfs/dbraw/zinc/81/72/70/1299817270.db2.gz XGGNGJVBXRIYTR-QXAKKESOSA-N 2 1 329.488 3.128 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000755038884 1300273082 /nfs/dbraw/zinc/27/30/82/1300273082.db2.gz FAMJQYCUKOKCCZ-INIZCTEOSA-N 2 1 327.513 3.050 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000755038884 1300273088 /nfs/dbraw/zinc/27/30/88/1300273088.db2.gz FAMJQYCUKOKCCZ-INIZCTEOSA-N 2 1 327.513 3.050 20 0 EGADMP Cc1cccc(C(=O)NC2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000879350145 1300496479 /nfs/dbraw/zinc/49/64/79/1300496479.db2.gz WDVZHLNIEVBPDN-HXUWFJFHSA-N 2 1 343.515 3.064 20 0 EGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759860241 1301179309 /nfs/dbraw/zinc/17/93/09/1301179309.db2.gz ZJUXWBRHMMZOBH-PBHICJAKSA-N 2 1 328.859 3.319 20 0 EGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759860241 1301179315 /nfs/dbraw/zinc/17/93/15/1301179315.db2.gz ZJUXWBRHMMZOBH-PBHICJAKSA-N 2 1 328.859 3.319 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759860241 1301179317 /nfs/dbraw/zinc/17/93/17/1301179317.db2.gz ZJUXWBRHMMZOBH-PBHICJAKSA-N 2 1 328.859 3.319 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759860241 1301179320 /nfs/dbraw/zinc/17/93/20/1301179320.db2.gz ZJUXWBRHMMZOBH-PBHICJAKSA-N 2 1 328.859 3.319 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)CCCO1 ZINC000762481469 1301688456 /nfs/dbraw/zinc/68/84/56/1301688456.db2.gz FMFWDIRCKKOORU-KRWDZBQOSA-N 2 1 346.515 3.381 20 0 EGADMP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCSC1 ZINC000882950082 1302179577 /nfs/dbraw/zinc/17/95/77/1302179577.db2.gz VAQPQQOZXNPYQY-SFHVURJKSA-N 2 1 347.528 3.048 20 0 EGADMP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCSC1 ZINC000882950082 1302179581 /nfs/dbraw/zinc/17/95/81/1302179581.db2.gz VAQPQQOZXNPYQY-SFHVURJKSA-N 2 1 347.528 3.048 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000765357486 1302252427 /nfs/dbraw/zinc/25/24/27/1302252427.db2.gz DIHJMLDMVZSLIG-ULQDDVLXSA-N 2 1 339.524 3.096 20 0 EGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765973093 1302359458 /nfs/dbraw/zinc/35/94/58/1302359458.db2.gz CCKZZIHUCYDTRE-ICSRJNTNSA-N 2 1 344.499 3.442 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000765973121 1302360344 /nfs/dbraw/zinc/36/03/44/1302360344.db2.gz CQEPWZHSOIOJOB-LLGFUMIMSA-N 2 1 346.515 3.420 20 0 EGADMP c1ccc2c(c1)OC1(CCOCC1)C[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000883383632 1302424419 /nfs/dbraw/zinc/42/44/19/1302424419.db2.gz CLWHOKDREHLKLS-AOIWGVFYSA-N 2 1 342.483 3.276 20 0 EGADMP c1ccc2c(c1)OC1(CCOCC1)C[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883383632 1302424423 /nfs/dbraw/zinc/42/44/23/1302424423.db2.gz CLWHOKDREHLKLS-AOIWGVFYSA-N 2 1 342.483 3.276 20 0 EGADMP CC(C)[C@H](C[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000766332071 1302432515 /nfs/dbraw/zinc/43/25/15/1302432515.db2.gz SNSUBTLFVLOSKK-BBWFWOEESA-N 2 1 339.524 3.142 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883435405 1302443359 /nfs/dbraw/zinc/44/33/59/1302443359.db2.gz SDOJJGAHFSICHE-IFLJBQAJSA-N 2 1 344.499 3.268 20 0 EGADMP C[NH2+][C@@H](CC(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000884218335 1302774593 /nfs/dbraw/zinc/77/45/93/1302774593.db2.gz LRGDSWCDBURQEU-SXLOBPIMSA-N 2 1 345.531 3.132 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CC1([NH+](C)C)CCCC1)NC(=O)OC(C)(C)C ZINC000769676229 1303156224 /nfs/dbraw/zinc/15/62/24/1303156224.db2.gz AIIFJNBZVFRZSY-GJZGRUSLSA-N 2 1 327.513 3.142 20 0 EGADMP CC(C)[C@@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)[NH+]1CCC(C)CC1 ZINC000885923292 1303277883 /nfs/dbraw/zinc/27/78/83/1303277883.db2.gz VYEDMBQJRAORKS-RTBURBONSA-N 2 1 338.536 3.061 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4cccnc43)c2)CCO1 ZINC000886512973 1303482761 /nfs/dbraw/zinc/48/27/61/1303482761.db2.gz QSPYFRGQJHIBEL-OXJNMPFZSA-N 2 1 337.467 3.079 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4cccnc43)c2)CCO1 ZINC000886512973 1303482764 /nfs/dbraw/zinc/48/27/64/1303482764.db2.gz QSPYFRGQJHIBEL-OXJNMPFZSA-N 2 1 337.467 3.079 20 0 EGADMP Cc1[nH]c(C2CC[NH+](C[C@@H]3CCC4(CCOCC4)CO3)CC2)[nH+]c1C ZINC000886659387 1303541615 /nfs/dbraw/zinc/54/16/15/1303541615.db2.gz LJTIETINSLRUEY-SFHVURJKSA-N 2 1 347.503 3.182 20 0 EGADMP Cc1[nH]c(C2CC[NH+](CCC(=O)N(C)c3ccccc3)CC2)[nH+]c1C ZINC000886659501 1303541766 /nfs/dbraw/zinc/54/17/66/1303541766.db2.gz OCFOQBCTBAONAP-UHFFFAOYSA-N 2 1 340.471 3.259 20 0 EGADMP COC(=O)c1ccc([C@@H](C)[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)o1 ZINC000886668020 1303547792 /nfs/dbraw/zinc/54/77/92/1303547792.db2.gz MDKCQNWBXKUOHD-CYBMUJFWSA-N 2 1 331.416 3.347 20 0 EGADMP CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886671939 1303551423 /nfs/dbraw/zinc/55/14/23/1303551423.db2.gz GRAICKRHVMTOOK-WMZOPIPTSA-N 2 1 346.519 3.386 20 0 EGADMP CSC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCCC1 ZINC000886741038 1303582351 /nfs/dbraw/zinc/58/23/51/1303582351.db2.gz RXKOAGSEOUSZNM-KRWDZBQOSA-N 2 1 326.550 3.285 20 0 EGADMP CC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCc2ccccc2C1 ZINC000774108032 1303774665 /nfs/dbraw/zinc/77/46/65/1303774665.db2.gz DTPJQKSWPMYOPZ-VKEMMKHGSA-N 2 1 327.516 3.038 20 0 EGADMP CC[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+]1CCc2ccccc2C1 ZINC000774108032 1303774670 /nfs/dbraw/zinc/77/46/70/1303774670.db2.gz DTPJQKSWPMYOPZ-VKEMMKHGSA-N 2 1 327.516 3.038 20 0 EGADMP CC[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+]1CCc2ccccc2C1 ZINC000774108032 1303774672 /nfs/dbraw/zinc/77/46/72/1303774672.db2.gz DTPJQKSWPMYOPZ-VKEMMKHGSA-N 2 1 327.516 3.038 20 0 EGADMP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCc2ccccc2C1 ZINC000774108032 1303774676 /nfs/dbraw/zinc/77/46/76/1303774676.db2.gz DTPJQKSWPMYOPZ-VKEMMKHGSA-N 2 1 327.516 3.038 20 0 EGADMP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCc2ccccc2C1 ZINC000774108032 1303774681 /nfs/dbraw/zinc/77/46/81/1303774681.db2.gz DTPJQKSWPMYOPZ-VKEMMKHGSA-N 2 1 327.516 3.038 20 0 EGADMP CC(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000781421346 1304825119 /nfs/dbraw/zinc/82/51/19/1304825119.db2.gz PVXOLJAHFUVQCT-PLACYPQZSA-N 2 1 330.516 3.284 20 0 EGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@H](O)c2c(F)cccc2Cl)CC1 ZINC000783573757 1305110230 /nfs/dbraw/zinc/11/02/30/1305110230.db2.gz OQWRKWFAMJOVJW-SJCJKPOMSA-N 2 1 328.859 3.363 20 0 EGADMP COc1ccc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000787303089 1305729968 /nfs/dbraw/zinc/72/99/68/1305729968.db2.gz QQAAFTOGSGHKHS-IRXDYDNUSA-N 2 1 339.483 3.336 20 0 EGADMP COCCOc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)o1 ZINC000893330445 1305835133 /nfs/dbraw/zinc/83/51/33/1305835133.db2.gz JEVRWCVEORCRFA-UHFFFAOYSA-N 2 1 344.455 3.190 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)cc1F ZINC000788565980 1305972508 /nfs/dbraw/zinc/97/25/08/1305972508.db2.gz XMWJMRLCTVEJJD-LBPRGKRZSA-N 2 1 326.375 3.271 20 0 EGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000788615265 1305982101 /nfs/dbraw/zinc/98/21/01/1305982101.db2.gz YOMZHMPMOHTOJV-IRXDYDNUSA-N 2 1 341.540 3.344 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000788615265 1305982112 /nfs/dbraw/zinc/98/21/12/1305982112.db2.gz YOMZHMPMOHTOJV-IRXDYDNUSA-N 2 1 341.540 3.344 20 0 EGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788615263 1305982931 /nfs/dbraw/zinc/98/29/31/1305982931.db2.gz YOMZHMPMOHTOJV-IAGOWNOFSA-N 2 1 341.540 3.344 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788615263 1305982940 /nfs/dbraw/zinc/98/29/40/1305982940.db2.gz YOMZHMPMOHTOJV-IAGOWNOFSA-N 2 1 341.540 3.344 20 0 EGADMP FC(F)(F)Cc1ncc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000895478845 1309361037 /nfs/dbraw/zinc/36/10/37/1309361037.db2.gz DQSYLXJXGXXDBC-CYBMUJFWSA-N 2 1 347.450 3.460 20 0 EGADMP FC(F)(F)Cc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000895478845 1309361043 /nfs/dbraw/zinc/36/10/43/1309361043.db2.gz DQSYLXJXGXXDBC-CYBMUJFWSA-N 2 1 347.450 3.460 20 0 EGADMP CCCCCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000796385130 1309988574 /nfs/dbraw/zinc/98/85/74/1309988574.db2.gz RYCAWEKNJTVUNF-NRFANRHFSA-N 2 1 329.532 3.459 20 0 EGADMP C[C@@H](Cc1cnccn1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000796723522 1310072650 /nfs/dbraw/zinc/07/26/50/1310072650.db2.gz FGYMLNSXCRIFCR-OCDPCBSRSA-N 2 1 338.499 3.440 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000797115140 1310143196 /nfs/dbraw/zinc/14/31/96/1310143196.db2.gz MTZFYJDXGXVMBV-OAGGEKHMSA-N 2 1 327.513 3.142 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000797115140 1310143200 /nfs/dbraw/zinc/14/32/00/1310143200.db2.gz MTZFYJDXGXVMBV-OAGGEKHMSA-N 2 1 327.513 3.142 20 0 EGADMP C[C@@]1(C[NH2+]Cc2cccc3nccn32)CC[N@@H+](Cc2ccccc2)C1 ZINC000798497773 1310373666 /nfs/dbraw/zinc/37/36/66/1310373666.db2.gz ADDDRTIUPUNTDX-NRFANRHFSA-N 2 1 334.467 3.336 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178288 1310499776 /nfs/dbraw/zinc/49/97/76/1310499776.db2.gz QYWMCWYPUXRNHX-XWSJACJDSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799179364 1310500289 /nfs/dbraw/zinc/50/02/89/1310500289.db2.gz JRKLSDSKJAYMRE-GOSISDBHSA-N 2 1 343.515 3.438 20 0 EGADMP C[C@@H](Cc1cccnc1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000897970945 1310533944 /nfs/dbraw/zinc/53/39/44/1310533944.db2.gz VTTOARISYMEZTC-KRWDZBQOSA-N 2 1 341.474 3.448 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3nonc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000897990613 1310543789 /nfs/dbraw/zinc/54/37/89/1310543789.db2.gz APOSGFINIYDNEY-CRAIPNDOSA-N 2 1 336.439 3.366 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3nonc3c2)CC[N@H+]1Cc1ccccc1 ZINC000897990613 1310543795 /nfs/dbraw/zinc/54/37/95/1310543795.db2.gz APOSGFINIYDNEY-CRAIPNDOSA-N 2 1 336.439 3.366 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CCC23CCOCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000800490744 1310767979 /nfs/dbraw/zinc/76/79/79/1310767979.db2.gz JPCUWFYQGRZKEJ-WOJBJXKFSA-N 2 1 328.500 3.447 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824416770 1320255791 /nfs/dbraw/zinc/25/57/91/1320255791.db2.gz NQMKPTPRBSFGEE-ULQDDVLXSA-N 2 1 341.540 3.340 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824416770 1320255795 /nfs/dbraw/zinc/25/57/95/1320255795.db2.gz NQMKPTPRBSFGEE-ULQDDVLXSA-N 2 1 341.540 3.340 20 0 EGADMP CN(C)c1ccc(N2CCC([NH2+]CC[C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000839180998 1320887537 /nfs/dbraw/zinc/88/75/37/1320887537.db2.gz FZQYFGZNBDVRAB-GOSISDBHSA-N 2 1 344.547 3.043 20 0 EGADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)NCC[NH+]3CCCC3(C)C)c2)C1 ZINC000857282396 1328525977 /nfs/dbraw/zinc/52/59/77/1328525977.db2.gz BZMMTDDBKNQCAN-IBGZPJMESA-N 2 1 343.515 3.100 20 0 EGADMP C[NH+]1CCC[C@H](c2cccc(C(=O)NCC[N@@H+]3CCCC3(C)C)c2)C1 ZINC000857282396 1328525979 /nfs/dbraw/zinc/52/59/79/1328525979.db2.gz BZMMTDDBKNQCAN-IBGZPJMESA-N 2 1 343.515 3.100 20 0 EGADMP C[NH+]1CCC[C@H](c2cccc(C(=O)NCC[N@H+]3CCCC3(C)C)c2)C1 ZINC000857282396 1328525981 /nfs/dbraw/zinc/52/59/81/1328525981.db2.gz BZMMTDDBKNQCAN-IBGZPJMESA-N 2 1 343.515 3.100 20 0 EGADMP C[N@@H+](CCCCNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)C1CC1 ZINC000857283746 1328526425 /nfs/dbraw/zinc/52/64/25/1328526425.db2.gz WUGQEVJUYKYJHN-LJQANCHMSA-N 2 1 343.515 3.100 20 0 EGADMP C[NH+](CCCCNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)C1CC1 ZINC000857283746 1328526426 /nfs/dbraw/zinc/52/64/26/1328526426.db2.gz WUGQEVJUYKYJHN-LJQANCHMSA-N 2 1 343.515 3.100 20 0 EGADMP C[NH+](CCCCNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)C1CC1 ZINC000857283746 1328526428 /nfs/dbraw/zinc/52/64/28/1328526428.db2.gz WUGQEVJUYKYJHN-LJQANCHMSA-N 2 1 343.515 3.100 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001018938395 1316981120 /nfs/dbraw/zinc/98/11/20/1316981120.db2.gz MSDKWHLQTWNNLZ-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000957286719 1317261365 /nfs/dbraw/zinc/26/13/65/1317261365.db2.gz BGYVTGNGEGTVCJ-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001019632199 1317311563 /nfs/dbraw/zinc/31/15/63/1317311563.db2.gz DTMCYVIVYVBAFO-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)c1 ZINC000900650584 1317318765 /nfs/dbraw/zinc/31/87/65/1317318765.db2.gz CRFBKBWZDRKBTB-PMACEKPBSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)c1 ZINC000900650584 1317318775 /nfs/dbraw/zinc/31/87/75/1317318775.db2.gz CRFBKBWZDRKBTB-PMACEKPBSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)c1 ZINC000900650584 1317318781 /nfs/dbraw/zinc/31/87/81/1317318781.db2.gz CRFBKBWZDRKBTB-PMACEKPBSA-N 2 1 343.515 3.160 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001019820496 1317439877 /nfs/dbraw/zinc/43/98/77/1317439877.db2.gz MJVOYWHFHUHBHP-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000902332224 1317563960 /nfs/dbraw/zinc/56/39/60/1317563960.db2.gz DEJQXOVXBVREKJ-ZBFHGGJFSA-N 2 1 349.906 3.203 20 0 EGADMP COc1cccc(-c2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)on2)c1 ZINC000902453214 1317579950 /nfs/dbraw/zinc/57/99/50/1317579950.db2.gz NTBXTKDHQOKYTP-CEXWTWQISA-N 2 1 341.455 3.361 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001020238915 1317603807 /nfs/dbraw/zinc/60/38/07/1317603807.db2.gz HUYMCWOVQIDKNX-GUDVDZBRSA-N 2 1 335.536 3.066 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CCCN1C(=O)OC(C)(C)C ZINC000903015551 1317640917 /nfs/dbraw/zinc/64/09/17/1317640917.db2.gz FZUQDTRAGGAXON-RDJZCZTQSA-N 2 1 339.524 3.238 20 0 EGADMP CC[N@@H+](CC1CC1)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000957777902 1317642283 /nfs/dbraw/zinc/64/22/83/1317642283.db2.gz BVYYPQHETUIQHF-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)cc1 ZINC000903057651 1317643965 /nfs/dbraw/zinc/64/39/65/1317643965.db2.gz KAXKFEAKXCWUJI-XAJVHEMHSA-N 2 1 325.500 3.008 20 0 EGADMP c1ccc(C[NH+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cc1 ZINC000903057651 1317643971 /nfs/dbraw/zinc/64/39/71/1317643971.db2.gz KAXKFEAKXCWUJI-XAJVHEMHSA-N 2 1 325.500 3.008 20 0 EGADMP c1ccc(C[NH+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903057651 1317643976 /nfs/dbraw/zinc/64/39/76/1317643976.db2.gz KAXKFEAKXCWUJI-XAJVHEMHSA-N 2 1 325.500 3.008 20 0 EGADMP c1ccc(CN2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cc1 ZINC000903057651 1317643981 /nfs/dbraw/zinc/64/39/81/1317643981.db2.gz KAXKFEAKXCWUJI-XAJVHEMHSA-N 2 1 325.500 3.008 20 0 EGADMP c1ccc(CN2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903057651 1317643988 /nfs/dbraw/zinc/64/39/88/1317643988.db2.gz KAXKFEAKXCWUJI-XAJVHEMHSA-N 2 1 325.500 3.008 20 0 EGADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C[N@H+]1Cc1ccccc1 ZINC000903110842 1317654253 /nfs/dbraw/zinc/65/42/53/1317654253.db2.gz RNVROIBCIVZCDZ-SLOSICTCSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[NH+]1Cc1ccccc1 ZINC000903110842 1317654258 /nfs/dbraw/zinc/65/42/58/1317654258.db2.gz RNVROIBCIVZCDZ-SLOSICTCSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[NH+]1Cc1ccccc1 ZINC000903110842 1317654262 /nfs/dbraw/zinc/65/42/62/1317654262.db2.gz RNVROIBCIVZCDZ-SLOSICTCSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CN1Cc1ccccc1 ZINC000903110842 1317654269 /nfs/dbraw/zinc/65/42/69/1317654269.db2.gz RNVROIBCIVZCDZ-SLOSICTCSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CN1Cc1ccccc1 ZINC000903110842 1317654276 /nfs/dbraw/zinc/65/42/76/1317654276.db2.gz RNVROIBCIVZCDZ-SLOSICTCSA-N 2 1 339.527 3.397 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903508543 1317706130 /nfs/dbraw/zinc/70/61/30/1317706130.db2.gz KVYBEAFCLBTEJP-ZCNNSNEGSA-N 2 1 331.479 3.177 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508543 1317706132 /nfs/dbraw/zinc/70/61/32/1317706132.db2.gz KVYBEAFCLBTEJP-ZCNNSNEGSA-N 2 1 331.479 3.177 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508543 1317706134 /nfs/dbraw/zinc/70/61/34/1317706134.db2.gz KVYBEAFCLBTEJP-ZCNNSNEGSA-N 2 1 331.479 3.177 20 0 EGADMP c1ccc2sc([C@@H]3CCC[N@@H+]3C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)nc2c1 ZINC000903734490 1317726855 /nfs/dbraw/zinc/72/68/55/1317726855.db2.gz ZFSVGJBKGZHCTD-URLQWDBASA-N 2 1 343.496 3.202 20 0 EGADMP C[N@H+](Cc1ccc(F)c(Cl)c1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903756799 1317731164 /nfs/dbraw/zinc/73/11/64/1317731164.db2.gz WBVRWUJKRQIDPP-AWEZNQCLSA-N 2 1 326.843 3.070 20 0 EGADMP CCC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903770716 1317732074 /nfs/dbraw/zinc/73/20/74/1317732074.db2.gz YTHMPNVVPWFITO-IBGZPJMESA-N 2 1 332.488 3.066 20 0 EGADMP CC(C)(C[NH3+])C1CC[NH+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000903788939 1317734553 /nfs/dbraw/zinc/73/45/53/1317734553.db2.gz KMKKATZKUPLSAV-UHFFFAOYSA-N 2 1 348.878 3.186 20 0 EGADMP [NH3+]CC1([C@@H]2CCCC[N@@H+]2C[C@H](O)c2ccc(F)cc2Cl)CCC1 ZINC000903810370 1317736431 /nfs/dbraw/zinc/73/64/31/1317736431.db2.gz BSLBECTWELWCEB-IRXDYDNUSA-N 2 1 340.870 3.496 20 0 EGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@H](O)c2ccc(F)cc2Cl)CCC1 ZINC000903810370 1317736436 /nfs/dbraw/zinc/73/64/36/1317736436.db2.gz BSLBECTWELWCEB-IRXDYDNUSA-N 2 1 340.870 3.496 20 0 EGADMP CC[N@@H+](Cc1ccccc1Cl)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903884256 1317740035 /nfs/dbraw/zinc/74/00/35/1317740035.db2.gz VUYZFOFWSWESLI-OAHLLOKOSA-N 2 1 334.895 3.021 20 0 EGADMP CC[N@H+](Cc1ccccc1Cl)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903884256 1317740041 /nfs/dbraw/zinc/74/00/41/1317740041.db2.gz VUYZFOFWSWESLI-OAHLLOKOSA-N 2 1 334.895 3.021 20 0 EGADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000903887327 1317741576 /nfs/dbraw/zinc/74/15/76/1317741576.db2.gz YRFWGABBATWLIG-IBGZPJMESA-N 2 1 339.487 3.005 20 0 EGADMP [NH3+][C@@H](C[NH2+]C1(c2ccc(Br)cc2)CCC1)CC(F)F ZINC000903896906 1317744037 /nfs/dbraw/zinc/74/40/37/1317744037.db2.gz BDWTUNGYPCFNIE-GFCCVEGCSA-N 2 1 333.220 3.400 20 0 EGADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903899097 1317744596 /nfs/dbraw/zinc/74/45/96/1317744596.db2.gz RKWHVORILIZNBZ-TZIWHRDSSA-N 2 1 342.531 3.107 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])CC(F)F)cc1Br ZINC000903919533 1317748985 /nfs/dbraw/zinc/74/89/85/1317748985.db2.gz DLHLIIOOOLKMOV-WCBMZHEXSA-N 2 1 337.208 3.091 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000904374756 1317838884 /nfs/dbraw/zinc/83/88/84/1317838884.db2.gz WGMLKVQFINKXAM-VBQJREDUSA-N 2 1 342.405 3.482 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000809605336 1317842072 /nfs/dbraw/zinc/84/20/72/1317842072.db2.gz BETBHQFEJCWSKZ-GTPINHCMSA-N 2 1 339.524 3.286 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000904405345 1317844130 /nfs/dbraw/zinc/84/41/30/1317844130.db2.gz LAMXPRFHERDJCG-SFHVURJKSA-N 2 1 339.483 3.448 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001020675806 1317851972 /nfs/dbraw/zinc/85/19/72/1317851972.db2.gz GKTGHPHPDFVWIM-FRYIKTPZSA-N 2 1 343.515 3.247 20 0 EGADMP CC[C@@H](C)C[C@@H]([NH3+])c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000904601021 1317867280 /nfs/dbraw/zinc/86/72/80/1317867280.db2.gz ABSUDIZDTDPXAR-CZUORRHYSA-N 2 1 332.448 3.113 20 0 EGADMP [NH3+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000904635432 1317872928 /nfs/dbraw/zinc/87/29/28/1317872928.db2.gz ABDWFLDVRSLLAU-QGZVFWFLSA-N 2 1 330.476 3.064 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809757685 1317893233 /nfs/dbraw/zinc/89/32/33/1317893233.db2.gz VJJGFAMGCWQXMB-UHFFFAOYSA-N 2 1 341.540 3.297 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)c2cccc(C)c2)cc1F ZINC000905918486 1318018533 /nfs/dbraw/zinc/01/85/33/1318018533.db2.gz HTCCLNVACHPRTQ-HXUWFJFHSA-N 2 1 339.414 3.451 20 0 EGADMP C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)[NH+]1CCCCCC1 ZINC001021400499 1318233195 /nfs/dbraw/zinc/23/31/95/1318233195.db2.gz XEAKZEDRRGAMKK-VOBGVNJCSA-N 2 1 347.547 3.163 20 0 EGADMP OCc1cc(N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc[nH+]1 ZINC000858403636 1328754368 /nfs/dbraw/zinc/75/43/68/1328754368.db2.gz IGSAHGNQYAKBBW-MRXNPFEDSA-N 2 1 349.837 3.443 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC000960132160 1318373005 /nfs/dbraw/zinc/37/30/05/1318373005.db2.gz SGMJIWWUUVPGHP-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681909 1318553432 /nfs/dbraw/zinc/55/34/32/1318553432.db2.gz KCGZABKCPULUAT-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000813828518 1318637846 /nfs/dbraw/zinc/63/78/46/1318637846.db2.gz UQVQMUOESZUYPQ-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000858491924 1328778425 /nfs/dbraw/zinc/77/84/25/1328778425.db2.gz QNGOWWHSKRJWFC-IAGOWNOFSA-N 2 1 345.487 3.416 20 0 EGADMP CC1(C)[C@H](O)C[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813880243 1318650205 /nfs/dbraw/zinc/65/02/05/1318650205.db2.gz DHGGJKGUVXHFBN-OLPBJYBYSA-N 2 1 328.500 3.321 20 0 EGADMP O=C1SCCN1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814223987 1318703115 /nfs/dbraw/zinc/70/31/15/1318703115.db2.gz XTYBMJDNDWAEQC-UHFFFAOYSA-N 2 1 345.512 3.101 20 0 EGADMP O=C1SCCN1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814223987 1318703119 /nfs/dbraw/zinc/70/31/19/1318703119.db2.gz XTYBMJDNDWAEQC-UHFFFAOYSA-N 2 1 345.512 3.101 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022794665 1319113849 /nfs/dbraw/zinc/11/38/49/1319113849.db2.gz YZUWYNBGCNLGOF-HDICACEKSA-N 2 1 346.519 3.214 20 0 EGADMP C[N@@H+](CCc1ccccc1F)Cc1cccc(CN2CCOCC2)c1 ZINC000817275170 1319308924 /nfs/dbraw/zinc/30/89/24/1319308924.db2.gz WXQHITDNJKMYMY-UHFFFAOYSA-N 2 1 342.458 3.332 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1OC(=O)CC ZINC000817865689 1319448800 /nfs/dbraw/zinc/44/88/00/1319448800.db2.gz XEFGOVKGSVYMPV-ZOBUZTSGSA-N 2 1 348.487 3.206 20 0 EGADMP O=C1CCCN1c1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000817897193 1319455090 /nfs/dbraw/zinc/45/50/90/1319455090.db2.gz GVKYITWDVHOSFD-PZJWPPBQSA-N 2 1 349.478 3.396 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1c[nH+]ccc1N ZINC000817896606 1319455334 /nfs/dbraw/zinc/45/53/34/1319455334.db2.gz LWLBYAIPNMMYJB-BJOHPYRUSA-N 2 1 326.227 3.185 20 0 EGADMP Fc1cnc(Cl)c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000817933808 1319465087 /nfs/dbraw/zinc/46/50/87/1319465087.db2.gz SWPCAICPCWHULY-CRAIPNDOSA-N 2 1 347.821 3.220 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2)cc1C[NH+]1CCCCC1 ZINC000817976788 1319484177 /nfs/dbraw/zinc/48/41/77/1319484177.db2.gz UAEYKSOEHMPMOC-SNRMKQJTSA-N 2 1 349.494 3.032 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](CC3CCCCC3)C2)CC[N@H+]1C ZINC001023382065 1319490074 /nfs/dbraw/zinc/49/00/74/1319490074.db2.gz XUNGVFLXYZQYEO-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CC3CCCCC3)C2)CC[NH+]1C ZINC001023382065 1319490076 /nfs/dbraw/zinc/49/00/76/1319490076.db2.gz XUNGVFLXYZQYEO-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)CC[NH+]1C ZINC001023382065 1319490079 /nfs/dbraw/zinc/49/00/79/1319490079.db2.gz XUNGVFLXYZQYEO-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023402914 1319508755 /nfs/dbraw/zinc/50/87/55/1319508755.db2.gz WPERMNGGTWZRPN-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001023402914 1319508759 /nfs/dbraw/zinc/50/87/59/1319508759.db2.gz WPERMNGGTWZRPN-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001023402914 1319508766 /nfs/dbraw/zinc/50/87/66/1319508766.db2.gz WPERMNGGTWZRPN-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961364332 1319520602 /nfs/dbraw/zinc/52/06/02/1319520602.db2.gz CHVVIPHSGKKQRK-WOJBJXKFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000961364332 1319520611 /nfs/dbraw/zinc/52/06/11/1319520611.db2.gz CHVVIPHSGKKQRK-WOJBJXKFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000961364332 1319520618 /nfs/dbraw/zinc/52/06/18/1319520618.db2.gz CHVVIPHSGKKQRK-WOJBJXKFSA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431758 1319584669 /nfs/dbraw/zinc/58/46/69/1319584669.db2.gz MPZYABONSXHPIA-QUCCMNQESA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961431758 1319584680 /nfs/dbraw/zinc/58/46/80/1319584680.db2.gz MPZYABONSXHPIA-QUCCMNQESA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961431758 1319584690 /nfs/dbraw/zinc/58/46/90/1319584690.db2.gz MPZYABONSXHPIA-QUCCMNQESA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)c2c(F)cccc2F)C1 ZINC000818960403 1319590579 /nfs/dbraw/zinc/59/05/79/1319590579.db2.gz YXZKHNBBQDAJLK-WMLDXEAASA-N 2 1 326.431 3.100 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000818980918 1319602195 /nfs/dbraw/zinc/60/21/95/1319602195.db2.gz PEKLZAFGVVMEOS-MLGOLLRUSA-N 2 1 331.287 3.348 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000818984420 1319604760 /nfs/dbraw/zinc/60/47/60/1319604760.db2.gz HBIJUPCSUNIUQI-RHSMWYFYSA-N 2 1 344.421 3.449 20 0 EGADMP CCCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000819042793 1319620533 /nfs/dbraw/zinc/62/05/33/1319620533.db2.gz MBSHVWBDKDKAAZ-KRWDZBQOSA-N 2 1 328.859 3.367 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000819101868 1319634822 /nfs/dbraw/zinc/63/48/22/1319634822.db2.gz ZNMGJHDBQQLFHL-MRXNPFEDSA-N 2 1 325.815 3.087 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC000819152634 1319648786 /nfs/dbraw/zinc/64/87/86/1319648786.db2.gz YCXPSOOYJAEATP-UWJYYQICSA-N 2 1 326.484 3.441 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+](CC3CCCC3)C2)C1 ZINC001023548131 1319657808 /nfs/dbraw/zinc/65/78/08/1319657808.db2.gz BNMCBZNXSLBWLU-UXHICEINSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC[N@H+](CC3CCCC3)C2)C1 ZINC001023548131 1319657820 /nfs/dbraw/zinc/65/78/20/1319657820.db2.gz BNMCBZNXSLBWLU-UXHICEINSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC[N@@H+](CC3CCCC3)C2)C1 ZINC001023548131 1319657827 /nfs/dbraw/zinc/65/78/27/1319657827.db2.gz BNMCBZNXSLBWLU-UXHICEINSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000819182153 1319658543 /nfs/dbraw/zinc/65/85/43/1319658543.db2.gz JIMCTHOHQCCGGW-KSSFIOAISA-N 2 1 342.886 3.470 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC=C(C)C)C1 ZINC001023696409 1319820484 /nfs/dbraw/zinc/82/04/84/1319820484.db2.gz MLEICTQWJAZIPA-VQTJNVASSA-N 2 1 349.563 3.435 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC=C(C)C)C1 ZINC001023696409 1319820492 /nfs/dbraw/zinc/82/04/92/1319820492.db2.gz MLEICTQWJAZIPA-VQTJNVASSA-N 2 1 349.563 3.435 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001023696409 1319820503 /nfs/dbraw/zinc/82/05/03/1319820503.db2.gz MLEICTQWJAZIPA-VQTJNVASSA-N 2 1 349.563 3.435 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023761841 1319908076 /nfs/dbraw/zinc/90/80/76/1319908076.db2.gz KMABBJYAVPHCPT-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001023761841 1319908085 /nfs/dbraw/zinc/90/80/85/1319908085.db2.gz KMABBJYAVPHCPT-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001023761841 1319908091 /nfs/dbraw/zinc/90/80/91/1319908091.db2.gz KMABBJYAVPHCPT-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCOc1cc(C)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000820813083 1319959832 /nfs/dbraw/zinc/95/98/32/1319959832.db2.gz YKLXFBVOXRLESZ-YQQQUEKLSA-N 2 1 332.488 3.125 20 0 EGADMP CCOc1cc(C)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000820813083 1319959836 /nfs/dbraw/zinc/95/98/36/1319959836.db2.gz YKLXFBVOXRLESZ-YQQQUEKLSA-N 2 1 332.488 3.125 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1 ZINC000821982883 1320045132 /nfs/dbraw/zinc/04/51/32/1320045132.db2.gz NLUGOZDHSQYELE-HOTGVXAUSA-N 2 1 339.524 3.096 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)[C@@H](C)C1 ZINC000822870661 1320131101 /nfs/dbraw/zinc/13/11/01/1320131101.db2.gz VJPQBTIROUDARS-ZNMIVQPWSA-N 2 1 337.335 3.297 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000826666647 1320395641 /nfs/dbraw/zinc/39/56/41/1320395641.db2.gz IGFXEURZMQSLPZ-QGZVFWFLSA-N 2 1 349.544 3.337 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000826666647 1320395645 /nfs/dbraw/zinc/39/56/45/1320395645.db2.gz IGFXEURZMQSLPZ-QGZVFWFLSA-N 2 1 349.544 3.337 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cn2ccc(-c3ccc(F)cn3)n2)CC1 ZINC000840002395 1321011795 /nfs/dbraw/zinc/01/17/95/1321011795.db2.gz HJTBLQCMQWMTPU-UHFFFAOYSA-N 2 1 345.466 3.094 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2CCC(C)(C)C2=O)CC1 ZINC000840028094 1321016297 /nfs/dbraw/zinc/01/62/97/1321016297.db2.gz MJFFCWYFKJSYDP-QGZVFWFLSA-N 2 1 335.536 3.179 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2CCC(C)(C)C2=O)CC1 ZINC000840028094 1321016300 /nfs/dbraw/zinc/01/63/00/1321016300.db2.gz MJFFCWYFKJSYDP-QGZVFWFLSA-N 2 1 335.536 3.179 20 0 EGADMP Clc1cccc([C@@H]2CC[C@H]([NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)c1 ZINC000840723371 1321135388 /nfs/dbraw/zinc/13/53/88/1321135388.db2.gz WYYBXOBBVYBWFW-QXCFHYIPSA-N 2 1 334.891 3.429 20 0 EGADMP Clc1cccc([C@@H]2CC[C@H]([NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)c1 ZINC000840723371 1321135391 /nfs/dbraw/zinc/13/53/91/1321135391.db2.gz WYYBXOBBVYBWFW-QXCFHYIPSA-N 2 1 334.891 3.429 20 0 EGADMP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]C[C@H](C)C[NH3+] ZINC000841049754 1321209748 /nfs/dbraw/zinc/20/97/48/1321209748.db2.gz WBNGNEUVMBOQBT-SNVBAGLBSA-N 2 1 327.259 3.172 20 0 EGADMP CCc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000859213846 1328948080 /nfs/dbraw/zinc/94/80/80/1328948080.db2.gz BNKYGRHZLRPBJL-UHFFFAOYSA-N 2 1 339.483 3.381 20 0 EGADMP CCc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000859213846 1328948085 /nfs/dbraw/zinc/94/80/85/1328948085.db2.gz BNKYGRHZLRPBJL-UHFFFAOYSA-N 2 1 339.483 3.381 20 0 EGADMP O[C@H](C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1)c1ccsc1 ZINC000842473117 1321393518 /nfs/dbraw/zinc/39/35/18/1321393518.db2.gz POEDLDJCQPUKIV-QFBILLFUSA-N 2 1 330.497 3.283 20 0 EGADMP CC(C)n1ncc2cc(C[N@@H+](C)C3CCC([NH3+])CC3)c(Cl)nc21 ZINC000843055999 1321463305 /nfs/dbraw/zinc/46/33/05/1321463305.db2.gz VOLBHFSLHDEGTN-UHFFFAOYSA-N 2 1 335.883 3.367 20 0 EGADMP CC(C)n1ncc2cc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)c(Cl)nc21 ZINC000843058189 1321463882 /nfs/dbraw/zinc/46/38/82/1321463882.db2.gz OATOFVDFZZUNGU-VBNZEHGJSA-N 2 1 347.894 3.225 20 0 EGADMP CC(C)n1ncc2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)c(Cl)nc21 ZINC000843058189 1321463884 /nfs/dbraw/zinc/46/38/84/1321463884.db2.gz OATOFVDFZZUNGU-VBNZEHGJSA-N 2 1 347.894 3.225 20 0 EGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843112651 1321472845 /nfs/dbraw/zinc/47/28/45/1321472845.db2.gz KUDVLGJELBMJPJ-HNNXBMFYSA-N 2 1 332.879 3.395 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)C1CCC([NH3+])CC1 ZINC000843355412 1321504819 /nfs/dbraw/zinc/50/48/19/1321504819.db2.gz NPXRNXQNINFFTR-GRERDSQWSA-N 2 1 343.515 3.236 20 0 EGADMP C[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)C1CCC([NH3+])CC1 ZINC000843353673 1321505523 /nfs/dbraw/zinc/50/55/23/1321505523.db2.gz IOODBHXQCNWBMF-UHFFFAOYSA-N 2 1 337.467 3.494 20 0 EGADMP CCc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)c2cc1Cl ZINC000843365437 1321507257 /nfs/dbraw/zinc/50/72/57/1321507257.db2.gz IEFKOUQUTIHNMP-WCQYABFASA-N 2 1 334.847 3.178 20 0 EGADMP CCc1cc2oc(=O)cc(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)c2cc1Cl ZINC000843365437 1321507260 /nfs/dbraw/zinc/50/72/60/1321507260.db2.gz IEFKOUQUTIHNMP-WCQYABFASA-N 2 1 334.847 3.178 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)c2cc1C(C)C ZINC000843368376 1321508197 /nfs/dbraw/zinc/50/81/97/1321508197.db2.gz RITGNFOFPJFRPP-NRFANRHFSA-N 2 1 340.467 3.410 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)c2cc1C(C)C ZINC000843368376 1321508200 /nfs/dbraw/zinc/50/82/00/1321508200.db2.gz RITGNFOFPJFRPP-NRFANRHFSA-N 2 1 340.467 3.410 20 0 EGADMP [NH3+]CCC1CC[NH+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000846224944 1321777635 /nfs/dbraw/zinc/77/76/35/1321777635.db2.gz DVXYFBBPAQGEJG-UHFFFAOYSA-N 2 1 337.467 3.353 20 0 EGADMP Cc1ccc(N(C)[C@@H]2CCC[N@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000846848209 1321816173 /nfs/dbraw/zinc/81/61/73/1321816173.db2.gz ADJLJPRSIARKJF-HXUWFJFHSA-N 2 1 326.488 3.262 20 0 EGADMP Cc1ccc(N(C)[C@@H]2CCC[N@@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000846848209 1321816178 /nfs/dbraw/zinc/81/61/78/1321816178.db2.gz ADJLJPRSIARKJF-HXUWFJFHSA-N 2 1 326.488 3.262 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000848541341 1321972623 /nfs/dbraw/zinc/97/26/23/1321972623.db2.gz XKMIHSAKZVFDFU-IRXDYDNUSA-N 2 1 330.451 3.282 20 0 EGADMP C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000849063917 1322064572 /nfs/dbraw/zinc/06/45/72/1322064572.db2.gz UWPPKJYVPIGURY-IEBWSBKVSA-N 2 1 328.504 3.155 20 0 EGADMP C[N@H+]1CC[C@H](CNC(=[NH2+])NC2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000849112278 1322083438 /nfs/dbraw/zinc/08/34/38/1322083438.db2.gz FNPGCRFIOPQFGT-WBMJQRKESA-N 2 1 338.858 3.138 20 0 EGADMP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[N@H+]2CCCC2(C)C)c1 ZINC000849116828 1322085145 /nfs/dbraw/zinc/08/51/45/1322085145.db2.gz OCLLCRUIOUASMY-UHFFFAOYSA-N 2 1 348.491 3.295 20 0 EGADMP CC1(C)CCc2cc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)ccc2O1 ZINC000850395746 1322238013 /nfs/dbraw/zinc/23/80/13/1322238013.db2.gz CCEWGOCLTVUAJA-IBGZPJMESA-N 2 1 344.499 3.133 20 0 EGADMP CCOC(=O)NC1CCC([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000850471185 1322255017 /nfs/dbraw/zinc/25/50/17/1322255017.db2.gz NKELASWRTSFYDS-ABHNRTSZSA-N 2 1 339.524 3.144 20 0 EGADMP O[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923313138 1322731754 /nfs/dbraw/zinc/73/17/54/1322731754.db2.gz VKGCMNIRLOMTFY-OOHWTWPMSA-N 2 1 328.500 3.495 20 0 EGADMP O[C@H](C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccc(F)cc1Cl ZINC000923361261 1322740876 /nfs/dbraw/zinc/74/08/76/1322740876.db2.gz HOIVIPBARUCXCX-SUNYJGFJSA-N 2 1 340.870 3.224 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923491606 1322760817 /nfs/dbraw/zinc/76/08/17/1322760817.db2.gz JWXLNTWQCPNEPA-DLBZAZTESA-N 2 1 337.467 3.351 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923486514 1322760833 /nfs/dbraw/zinc/76/08/33/1322760833.db2.gz RLGFHAQEVAKBHJ-BBWFWOEESA-N 2 1 339.483 3.076 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@H]1C[NH3+] ZINC000923493513 1322761952 /nfs/dbraw/zinc/76/19/52/1322761952.db2.gz HOYQKSXKBNWPKL-WMZOPIPTSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC3CCCCCC3)C2)CC[N@H+]1C ZINC001023994125 1323067683 /nfs/dbraw/zinc/06/76/83/1323067683.db2.gz ZDVUYGOCKSJXJN-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)c2ccccn2)CC1)CC(C)C ZINC000851892245 1323108077 /nfs/dbraw/zinc/10/80/77/1323108077.db2.gz LGUCPNVFFNRNOY-FQEVSTJZSA-N 2 1 333.520 3.195 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cnnn1C ZINC000924680835 1323109833 /nfs/dbraw/zinc/10/98/33/1323109833.db2.gz SYZITROGIFRTAP-HOTGVXAUSA-N 2 1 327.476 3.040 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cnnn1C ZINC000924680835 1323109835 /nfs/dbraw/zinc/10/98/35/1323109835.db2.gz SYZITROGIFRTAP-HOTGVXAUSA-N 2 1 327.476 3.040 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)C1 ZINC000924689038 1323113855 /nfs/dbraw/zinc/11/38/55/1323113855.db2.gz WGZGNXJWDDZCCZ-MISYRCLQSA-N 2 1 332.536 3.233 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1ccccn1 ZINC000852019562 1323133400 /nfs/dbraw/zinc/13/34/00/1323133400.db2.gz ZQVVDGIHJSQVNC-WOJBJXKFSA-N 2 1 339.483 3.005 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1ccccn1 ZINC000852019562 1323133406 /nfs/dbraw/zinc/13/34/06/1323133406.db2.gz ZQVVDGIHJSQVNC-WOJBJXKFSA-N 2 1 339.483 3.005 20 0 EGADMP CCN(Cc1ccccc1)C(=O)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924831476 1323180914 /nfs/dbraw/zinc/18/09/14/1323180914.db2.gz LVTPIXFMYASIIR-UHFFFAOYSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(-n3cnnc3)c2)C1 ZINC000924958708 1323228141 /nfs/dbraw/zinc/22/81/41/1323228141.db2.gz GJSNVVSDDAHGBY-SJORKVTESA-N 2 1 327.476 3.038 20 0 EGADMP CC[N@H+](CCNC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl)C(C)C ZINC000852801080 1323243617 /nfs/dbraw/zinc/24/36/17/1323243617.db2.gz GPGLSNXYNLFEIW-HNNXBMFYSA-N 2 1 346.302 3.100 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl)C(C)C ZINC000852801080 1323243625 /nfs/dbraw/zinc/24/36/25/1323243625.db2.gz GPGLSNXYNLFEIW-HNNXBMFYSA-N 2 1 346.302 3.100 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024278724 1323256827 /nfs/dbraw/zinc/25/68/27/1323256827.db2.gz SGWLWIBJLRXPPY-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024278205 1323257242 /nfs/dbraw/zinc/25/72/42/1323257242.db2.gz GWIWPETWSQSSAU-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925056870 1323258942 /nfs/dbraw/zinc/25/89/42/1323258942.db2.gz JRVJYTOBYDGTSA-UZLBHIALSA-N 2 1 346.515 3.208 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024436256 1323395812 /nfs/dbraw/zinc/39/58/12/1323395812.db2.gz AUTWWCNFQAPBIA-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001024436256 1323395814 /nfs/dbraw/zinc/39/58/14/1323395814.db2.gz AUTWWCNFQAPBIA-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC(C)(C)C1 ZINC001024436256 1323395822 /nfs/dbraw/zinc/39/58/22/1323395822.db2.gz AUTWWCNFQAPBIA-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CCC2=CCCCC2)CC1 ZINC001024633275 1323559463 /nfs/dbraw/zinc/55/94/63/1323559463.db2.gz GYJBRTAXCZVHPF-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024712486 1323621028 /nfs/dbraw/zinc/62/10/28/1323621028.db2.gz ZSSVWDWKXFFIRJ-FQEVSTJZSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811648 1323714648 /nfs/dbraw/zinc/71/46/48/1323714648.db2.gz VRYIGMLCCMPRHO-HXUWFJFHSA-N 2 1 343.515 3.299 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024812250 1323715983 /nfs/dbraw/zinc/71/59/83/1323715983.db2.gz MRPMWSVAMQCEFA-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001024812250 1323715988 /nfs/dbraw/zinc/71/59/88/1323715988.db2.gz MRPMWSVAMQCEFA-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC(C)(C)C ZINC001024812250 1323715993 /nfs/dbraw/zinc/71/59/93/1323715993.db2.gz MRPMWSVAMQCEFA-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024813639 1323716456 /nfs/dbraw/zinc/71/64/56/1323716456.db2.gz DAWHMZXVYSHQCQ-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP CC1CCC(C[NH2+]C[C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001024982746 1323813570 /nfs/dbraw/zinc/81/35/70/1323813570.db2.gz AMLMJLFUDOTYRM-AFMYVXGZSA-N 2 1 349.563 3.268 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@H](C)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432181 1329116129 /nfs/dbraw/zinc/11/61/29/1329116129.db2.gz XQFAWIAGSKIWEJ-ZYSHUDEJSA-N 2 1 343.515 3.022 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432181 1329116133 /nfs/dbraw/zinc/11/61/33/1329116133.db2.gz XQFAWIAGSKIWEJ-ZYSHUDEJSA-N 2 1 343.515 3.022 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432181 1329116139 /nfs/dbraw/zinc/11/61/39/1329116139.db2.gz XQFAWIAGSKIWEJ-ZYSHUDEJSA-N 2 1 343.515 3.022 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432181 1329116143 /nfs/dbraw/zinc/11/61/43/1329116143.db2.gz XQFAWIAGSKIWEJ-ZYSHUDEJSA-N 2 1 343.515 3.022 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432181 1329116144 /nfs/dbraw/zinc/11/61/44/1329116144.db2.gz XQFAWIAGSKIWEJ-ZYSHUDEJSA-N 2 1 343.515 3.022 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(OCc4ccccn4)c3)C[C@@H]2C1 ZINC000931441022 1329118140 /nfs/dbraw/zinc/11/81/40/1329118140.db2.gz AIPOTPFZSGYCOS-MOPGFXCFSA-N 2 1 337.467 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253890 1324060421 /nfs/dbraw/zinc/06/04/21/1324060421.db2.gz XZLVBRUBFWXNKK-OALUTQOASA-N 2 1 344.503 3.003 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253890 1324060428 /nfs/dbraw/zinc/06/04/28/1324060428.db2.gz XZLVBRUBFWXNKK-OALUTQOASA-N 2 1 344.503 3.003 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025266437 1324077190 /nfs/dbraw/zinc/07/71/90/1324077190.db2.gz JREHCXOLBZEGPA-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025266437 1324077194 /nfs/dbraw/zinc/07/71/94/1324077194.db2.gz JREHCXOLBZEGPA-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001025266437 1324077200 /nfs/dbraw/zinc/07/72/00/1324077200.db2.gz JREHCXOLBZEGPA-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001025279336 1324100856 /nfs/dbraw/zinc/10/08/56/1324100856.db2.gz ZYBJTAITUNRMMC-WOJBJXKFSA-N 2 1 343.515 3.227 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025431834 1324267979 /nfs/dbraw/zinc/26/79/79/1324267979.db2.gz CYLVLFBURKDUKS-LSDHHAIUSA-N 2 1 337.533 3.050 20 0 EGADMP C[C@H](NC(=O)c1sccc1C[NH+](C)C)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001025431950 1324268843 /nfs/dbraw/zinc/26/88/43/1324268843.db2.gz DYAPUTUEUKRFME-HOCLYGCPSA-N 2 1 349.544 3.050 20 0 EGADMP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001025469498 1324315698 /nfs/dbraw/zinc/31/56/98/1324315698.db2.gz PZZNVELNBLXLTI-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000931586589 1329149447 /nfs/dbraw/zinc/14/94/47/1329149447.db2.gz JDPUBVNTGBVDGK-LJQANCHMSA-N 2 1 344.503 3.004 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC001025585816 1324427032 /nfs/dbraw/zinc/42/70/32/1324427032.db2.gz SLWWADHEWCDSOM-YLJYHZDGSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025585285 1324427276 /nfs/dbraw/zinc/42/72/76/1324427276.db2.gz NXHHATIDWYAAAE-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026610582 1324931569 /nfs/dbraw/zinc/93/15/69/1324931569.db2.gz NDXZJSIDJKOITE-ACBHZAAOSA-N 2 1 335.536 3.068 20 0 EGADMP CCS[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925225551 1325087707 /nfs/dbraw/zinc/08/77/07/1325087707.db2.gz HCCHBEATQFYGSN-KKGYMGPXSA-N 2 1 326.550 3.282 20 0 EGADMP CC1CC(C[NH2+]C[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001026932200 1325090068 /nfs/dbraw/zinc/09/00/68/1325090068.db2.gz TUBWGMAUMGTMIZ-LXPRWKDFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315767 1325100121 /nfs/dbraw/zinc/10/01/21/1325100121.db2.gz YGFYWPITURMRIO-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000963320010 1325104913 /nfs/dbraw/zinc/10/49/13/1325104913.db2.gz YKOGELSBPYFGQS-SOAGJPPSSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000963337325 1325127406 /nfs/dbraw/zinc/12/74/06/1325127406.db2.gz NWRBQSYCENIXEU-QFBILLFUSA-N 2 1 340.471 3.061 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000963417578 1325226672 /nfs/dbraw/zinc/22/66/72/1325226672.db2.gz NWFNOMBHOOHDOS-WOJBJXKFSA-N 2 1 343.515 3.085 20 0 EGADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)ccc1OC ZINC000854222828 1325229924 /nfs/dbraw/zinc/22/99/24/1325229924.db2.gz LJXXUJPGXRTWBM-MRXNPFEDSA-N 3 1 333.520 3.459 20 0 EGADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC000964184452 1325484895 /nfs/dbraw/zinc/48/48/95/1325484895.db2.gz FDYGYUZJTHWKLQ-XEVCZEQESA-N 2 1 349.563 3.268 20 0 EGADMP O[C@@H]1CC[C@@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000926259834 1325494299 /nfs/dbraw/zinc/49/42/99/1325494299.db2.gz QKOMLESSZABDBE-JPGZLTHCSA-N 2 1 328.500 3.323 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(Br)n1 ZINC000926560941 1327618078 /nfs/dbraw/zinc/61/80/78/1327618078.db2.gz ULMKNIYAMWWQPE-LBPRGKRZSA-N 2 1 326.282 3.369 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027410666 1327637157 /nfs/dbraw/zinc/63/71/57/1327637157.db2.gz YKAKEWDPKRCLRG-RBUKOAKNSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001027410666 1327637167 /nfs/dbraw/zinc/63/71/67/1327637167.db2.gz YKAKEWDPKRCLRG-RBUKOAKNSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001027410666 1327637175 /nfs/dbraw/zinc/63/71/75/1327637175.db2.gz YKAKEWDPKRCLRG-RBUKOAKNSA-N 2 1 349.563 3.218 20 0 EGADMP CC1CC(C[N@@H+](C)[C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001027410726 1327637342 /nfs/dbraw/zinc/63/73/42/1327637342.db2.gz HESKZPMTOMBAIC-ACBHZAAOSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CCC3CCCC3)C2)CC[N@H+]1C ZINC001027417605 1327643007 /nfs/dbraw/zinc/64/30/07/1327643007.db2.gz DDASRRJXHUZIMD-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)CCC3CCCC3)C2)CC[NH+]1C ZINC001027417605 1327643014 /nfs/dbraw/zinc/64/30/14/1327643014.db2.gz DDASRRJXHUZIMD-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)CCC3CCCC3)C2)CC[NH+]1C ZINC001027417605 1327643018 /nfs/dbraw/zinc/64/30/18/1327643018.db2.gz DDASRRJXHUZIMD-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCC3CCCCC3)C2)CC[N@H+]1C ZINC001027416943 1327643937 /nfs/dbraw/zinc/64/39/37/1327643937.db2.gz PWGLFKPJNMERDU-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@H+](C)CCC3CCCCC3)C2)CC[NH+]1C ZINC001027416943 1327643949 /nfs/dbraw/zinc/64/39/49/1327643949.db2.gz PWGLFKPJNMERDU-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)CCC3CCCCC3)C2)CC[NH+]1C ZINC001027416943 1327643960 /nfs/dbraw/zinc/64/39/60/1327643960.db2.gz PWGLFKPJNMERDU-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001027442439 1327680766 /nfs/dbraw/zinc/68/07/66/1327680766.db2.gz UMBQDPIZHRNJLQ-YLJYHZDGSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001027442439 1327680774 /nfs/dbraw/zinc/68/07/74/1327680774.db2.gz UMBQDPIZHRNJLQ-YLJYHZDGSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001027442439 1327680780 /nfs/dbraw/zinc/68/07/80/1327680780.db2.gz UMBQDPIZHRNJLQ-YLJYHZDGSA-N 2 1 343.515 3.155 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027449052 1327691070 /nfs/dbraw/zinc/69/10/70/1327691070.db2.gz PXOVKTGPBKQGOI-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001027449052 1327691080 /nfs/dbraw/zinc/69/10/80/1327691080.db2.gz PXOVKTGPBKQGOI-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001027449052 1327691087 /nfs/dbraw/zinc/69/10/87/1327691087.db2.gz PXOVKTGPBKQGOI-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027447969 1327691200 /nfs/dbraw/zinc/69/12/00/1327691200.db2.gz CRNJXCOIZFKLQC-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCC1)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001027447969 1327691213 /nfs/dbraw/zinc/69/12/13/1327691213.db2.gz CRNJXCOIZFKLQC-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCC1)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001027447969 1327691223 /nfs/dbraw/zinc/69/12/23/1327691223.db2.gz CRNJXCOIZFKLQC-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2=CCCCC2)C1)[NH+](C)C ZINC001027452246 1327693201 /nfs/dbraw/zinc/69/32/01/1327693201.db2.gz LMYUWAUIAVNYOB-PMACEKPBSA-N 2 1 349.563 3.386 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C1)[NH+](C)C ZINC001027459838 1327702658 /nfs/dbraw/zinc/70/26/58/1327702658.db2.gz CWQHWLCIICCNIP-WOJBJXKFSA-N 2 1 345.531 3.066 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCC1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027884489 1328352657 /nfs/dbraw/zinc/35/26/57/1328352657.db2.gz ADPDNEFXNKWUBJ-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027884489 1328352662 /nfs/dbraw/zinc/35/26/62/1328352662.db2.gz ADPDNEFXNKWUBJ-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027884489 1328352670 /nfs/dbraw/zinc/35/26/70/1328352670.db2.gz ADPDNEFXNKWUBJ-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCC2=CCCCC2)CC[N@H+]1C ZINC001027893484 1328358597 /nfs/dbraw/zinc/35/85/97/1328358597.db2.gz XIJZVFPEJBIUMO-SLFFLAALSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCC2=CCCCC2)CC[NH+]1C ZINC001027893484 1328358609 /nfs/dbraw/zinc/35/86/09/1328358609.db2.gz XIJZVFPEJBIUMO-SLFFLAALSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCC2=CCCCC2)CC[NH+]1C ZINC001027893484 1328358611 /nfs/dbraw/zinc/35/86/11/1328358611.db2.gz XIJZVFPEJBIUMO-SLFFLAALSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC001027912918 1328387891 /nfs/dbraw/zinc/38/78/91/1328387891.db2.gz DEBMCEWQBQPIMS-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC001027912918 1328387900 /nfs/dbraw/zinc/38/79/00/1328387900.db2.gz DEBMCEWQBQPIMS-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027917912 1328394354 /nfs/dbraw/zinc/39/43/54/1328394354.db2.gz HOECPUAXBGTFQJ-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001027917912 1328394359 /nfs/dbraw/zinc/39/43/59/1328394359.db2.gz HOECPUAXBGTFQJ-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001027917912 1328394365 /nfs/dbraw/zinc/39/43/65/1328394365.db2.gz HOECPUAXBGTFQJ-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001027918127 1328394578 /nfs/dbraw/zinc/39/45/78/1328394578.db2.gz KHAFZKGSKZIETJ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001027918127 1328394584 /nfs/dbraw/zinc/39/45/84/1328394584.db2.gz KHAFZKGSKZIETJ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCC1 ZINC001027918127 1328394594 /nfs/dbraw/zinc/39/45/94/1328394594.db2.gz KHAFZKGSKZIETJ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001027918125 1328394813 /nfs/dbraw/zinc/39/48/13/1328394813.db2.gz KHAFZKGSKZIETJ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001027918125 1328394821 /nfs/dbraw/zinc/39/48/21/1328394821.db2.gz KHAFZKGSKZIETJ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCC1 ZINC001027918125 1328394828 /nfs/dbraw/zinc/39/48/28/1328394828.db2.gz KHAFZKGSKZIETJ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001027918810 1328396421 /nfs/dbraw/zinc/39/64/21/1328396421.db2.gz QIHHNYDVUIMIJJ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001027918810 1328396425 /nfs/dbraw/zinc/39/64/25/1328396425.db2.gz QIHHNYDVUIMIJJ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC001027918810 1328396432 /nfs/dbraw/zinc/39/64/32/1328396432.db2.gz QIHHNYDVUIMIJJ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CC1=CCCCC1)c1ccc2c[nH+]cn2c1 ZINC001028027657 1328491251 /nfs/dbraw/zinc/49/12/51/1328491251.db2.gz AGRGMEYREXXGNF-GOSISDBHSA-N 2 1 338.455 3.029 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CCC1CCCC1)c1ccc2c[nH+]cn2c1 ZINC001028030059 1328491970 /nfs/dbraw/zinc/49/19/70/1328491970.db2.gz RDMWPUMPMOHVCH-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP CC(C)(C)Oc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000865468097 1329701406 /nfs/dbraw/zinc/70/14/06/1329701406.db2.gz AZUCMSKTHMESFS-GOSISDBHSA-N 2 1 346.515 3.454 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC000932626115 1329828869 /nfs/dbraw/zinc/82/88/69/1329828869.db2.gz OXCYTZQZPXLTMQ-INIZCTEOSA-N 2 1 333.545 3.371 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000934844154 1330012308 /nfs/dbraw/zinc/01/23/08/1330012308.db2.gz VPPCVZGGFBGQNF-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@H](c1ccc(F)cc1F)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866590850 1330130300 /nfs/dbraw/zinc/13/03/00/1330130300.db2.gz WPAXINFQTIIDMM-LJQANCHMSA-N 2 1 337.458 3.128 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942102372 1331831048 /nfs/dbraw/zinc/83/10/48/1331831048.db2.gz XVPBETRSECRWBB-WBVHZDCISA-N 2 1 349.544 3.216 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942206320 1331879449 /nfs/dbraw/zinc/87/94/49/1331879449.db2.gz XVAQKDLVRAHBOT-HNAYVOBHSA-N 2 1 340.471 3.049 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCC2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943290421 1332139728 /nfs/dbraw/zinc/13/97/28/1332139728.db2.gz XIURFBGWDSLERC-XLIONFOSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944919970 1332454163 /nfs/dbraw/zinc/45/41/63/1332454163.db2.gz RNHCFDUWRZAZPJ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]2C1 ZINC000946623109 1332864585 /nfs/dbraw/zinc/86/45/85/1332864585.db2.gz BWBZISDDYLTYPN-KDURUIRLSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946710558 1332881779 /nfs/dbraw/zinc/88/17/79/1332881779.db2.gz SRRWWGBWRSZOEF-KDURUIRLSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000947552025 1333168931 /nfs/dbraw/zinc/16/89/31/1333168931.db2.gz QRSVTUIXXSSQEX-QAPCUYQASA-N 2 1 342.487 3.353 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCC1CCCCC1 ZINC000947686433 1333223464 /nfs/dbraw/zinc/22/34/64/1333223464.db2.gz YEXPXRJZQYNJNV-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)[C@@H](C)C1 ZINC000948044797 1333352390 /nfs/dbraw/zinc/35/23/90/1333352390.db2.gz SYQUWCBTCYORTD-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)[C@@H](C)C1 ZINC000948044797 1333352394 /nfs/dbraw/zinc/35/23/94/1333352394.db2.gz SYQUWCBTCYORTD-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC000948077009 1333367269 /nfs/dbraw/zinc/36/72/69/1333367269.db2.gz AHQLWQSOGBVDAH-HZPDHXFCSA-N 2 1 335.492 3.114 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(C)C)[C@@H](C)C2)o1 ZINC000948079514 1333368626 /nfs/dbraw/zinc/36/86/26/1333368626.db2.gz XARNJPJEBCZRSN-IRXDYDNUSA-N 2 1 349.519 3.360 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)[C@H](C)C2)o1 ZINC000948079150 1333368798 /nfs/dbraw/zinc/36/87/98/1333368798.db2.gz UMCKOFNEBDCZFH-NVXWUHKLSA-N 2 1 347.503 3.114 20 0 EGADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000948374782 1333500950 /nfs/dbraw/zinc/50/09/50/1333500950.db2.gz YNUCBUUUDPDSJZ-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000948376855 1333501996 /nfs/dbraw/zinc/50/19/96/1333501996.db2.gz CWSQBUIOBKOUOL-OALUTQOASA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000948376855 1333501997 /nfs/dbraw/zinc/50/19/97/1333501997.db2.gz CWSQBUIOBKOUOL-OALUTQOASA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000948376855 1333502001 /nfs/dbraw/zinc/50/20/01/1333502001.db2.gz CWSQBUIOBKOUOL-OALUTQOASA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948440026 1333526266 /nfs/dbraw/zinc/52/62/66/1333526266.db2.gz ZQYPOIBRMVROJR-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948440026 1333526267 /nfs/dbraw/zinc/52/62/67/1333526267.db2.gz ZQYPOIBRMVROJR-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948440026 1333526272 /nfs/dbraw/zinc/52/62/72/1333526272.db2.gz ZQYPOIBRMVROJR-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000948642860 1333609006 /nfs/dbraw/zinc/60/90/06/1333609006.db2.gz OXDZPILTUCAZHO-LJQANCHMSA-N 2 1 345.531 3.126 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000948710962 1333642699 /nfs/dbraw/zinc/64/26/99/1333642699.db2.gz IZTXUFYJVQQFEE-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948710962 1333642702 /nfs/dbraw/zinc/64/27/02/1333642702.db2.gz IZTXUFYJVQQFEE-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000948710962 1333642705 /nfs/dbraw/zinc/64/27/05/1333642705.db2.gz IZTXUFYJVQQFEE-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC000948739082 1333653444 /nfs/dbraw/zinc/65/34/44/1333653444.db2.gz XYCRHQDOYKWNOD-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000948767709 1333670677 /nfs/dbraw/zinc/67/06/77/1333670677.db2.gz ZOVJJMXNDGLJCW-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000948767709 1333670679 /nfs/dbraw/zinc/67/06/79/1333670679.db2.gz ZOVJJMXNDGLJCW-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000948767709 1333670683 /nfs/dbraw/zinc/67/06/83/1333670683.db2.gz ZOVJJMXNDGLJCW-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948775381 1333673690 /nfs/dbraw/zinc/67/36/90/1333673690.db2.gz HGNTUNYNSYNDTD-HKUYNNGSSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000948775381 1333673694 /nfs/dbraw/zinc/67/36/94/1333673694.db2.gz HGNTUNYNSYNDTD-HKUYNNGSSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000948775381 1333673697 /nfs/dbraw/zinc/67/36/97/1333673697.db2.gz HGNTUNYNSYNDTD-HKUYNNGSSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC000948775739 1333674728 /nfs/dbraw/zinc/67/47/28/1333674728.db2.gz PTRDAVQDDVVQHO-SJLPKXTDSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC000948775739 1333674732 /nfs/dbraw/zinc/67/47/32/1333674732.db2.gz PTRDAVQDDVVQHO-SJLPKXTDSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccsc2)CC1 ZINC000948775739 1333674735 /nfs/dbraw/zinc/67/47/35/1333674735.db2.gz PTRDAVQDDVVQHO-SJLPKXTDSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@@H](C(=O)N(C)[C@H]1CCC[N@@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC000948829629 1333701716 /nfs/dbraw/zinc/70/17/16/1333701716.db2.gz SANNBRMJYZSQMD-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833554 1333703901 /nfs/dbraw/zinc/70/39/01/1333703901.db2.gz XIABIYTXVIEROI-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CCC2CCCCC2)C1 ZINC000950465700 1334075728 /nfs/dbraw/zinc/07/57/28/1334075728.db2.gz DAYLFFRMLPEJCI-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1C[NH+](CCC(C)(C)C)C1 ZINC000950508105 1334082933 /nfs/dbraw/zinc/08/29/33/1334082933.db2.gz DVOXQZCEEXIRAO-IBGZPJMESA-N 2 1 349.563 3.362 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CC[NH+](CC3CCC(C)(C)CC3)CC2)C1 ZINC000950521549 1334084116 /nfs/dbraw/zinc/08/41/16/1334084116.db2.gz OKLUMSYRAOKBAY-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000951195854 1334203781 /nfs/dbraw/zinc/20/37/81/1334203781.db2.gz NSNQCLKQQXLLEK-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000951195854 1334203784 /nfs/dbraw/zinc/20/37/84/1334203784.db2.gz NSNQCLKQQXLLEK-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000951196588 1334203957 /nfs/dbraw/zinc/20/39/57/1334203957.db2.gz YFLJQSXBSFYOLV-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000952407158 1334451101 /nfs/dbraw/zinc/45/11/01/1334451101.db2.gz QFZANCRZCJWJRX-LJQANCHMSA-N 2 1 349.563 3.218 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]2C)CC1 ZINC000968459553 1335931602 /nfs/dbraw/zinc/93/16/02/1335931602.db2.gz MQTKQPKMOMVDKQ-AZUAARDMSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968689041 1336012844 /nfs/dbraw/zinc/01/28/44/1336012844.db2.gz RVKYXCNYLOHFQB-SJLPKXTDSA-N 2 1 349.519 3.362 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCCCCC1 ZINC000968782269 1336048452 /nfs/dbraw/zinc/04/84/52/1336048452.db2.gz UWJSSETVBNQPQG-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCCCCC1 ZINC000968782269 1336048454 /nfs/dbraw/zinc/04/84/54/1336048454.db2.gz UWJSSETVBNQPQG-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCCCCC1 ZINC000968782269 1336048456 /nfs/dbraw/zinc/04/84/56/1336048456.db2.gz UWJSSETVBNQPQG-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000968851728 1336067388 /nfs/dbraw/zinc/06/73/88/1336067388.db2.gz XKONFROGQIJTLH-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968850389 1336067850 /nfs/dbraw/zinc/06/78/50/1336067850.db2.gz XTPCNXOMJDJUDY-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000968850389 1336067853 /nfs/dbraw/zinc/06/78/53/1336067853.db2.gz XTPCNXOMJDJUDY-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000968850389 1336067855 /nfs/dbraw/zinc/06/78/55/1336067855.db2.gz XTPCNXOMJDJUDY-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968887805 1336080402 /nfs/dbraw/zinc/08/04/02/1336080402.db2.gz MYYJXWVKMVQBQY-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC000968887805 1336080405 /nfs/dbraw/zinc/08/04/05/1336080405.db2.gz MYYJXWVKMVQBQY-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000968887805 1336080408 /nfs/dbraw/zinc/08/04/08/1336080408.db2.gz MYYJXWVKMVQBQY-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968990513 1336112367 /nfs/dbraw/zinc/11/23/67/1336112367.db2.gz FWQZTCQYFWHVHX-RBUKOAKNSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000968990513 1336112368 /nfs/dbraw/zinc/11/23/68/1336112368.db2.gz FWQZTCQYFWHVHX-RBUKOAKNSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000968990513 1336112369 /nfs/dbraw/zinc/11/23/69/1336112369.db2.gz FWQZTCQYFWHVHX-RBUKOAKNSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CC(C)C)C1 ZINC000968990710 1336112380 /nfs/dbraw/zinc/11/23/80/1336112380.db2.gz KZZFUMRTDVZHER-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC(C)C)C1 ZINC000968990710 1336112382 /nfs/dbraw/zinc/11/23/82/1336112382.db2.gz KZZFUMRTDVZHER-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC(C)C)C1 ZINC000968990710 1336112383 /nfs/dbraw/zinc/11/23/83/1336112383.db2.gz KZZFUMRTDVZHER-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1cc(Br)cc(C)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205317692 1370719563 /nfs/dbraw/zinc/71/95/63/1370719563.db2.gz PNDQOCPOIYHVII-RISCZKNCSA-N 2 1 325.294 3.483 20 0 EGADMP Cc1cc(Br)cc(C)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205317692 1370719567 /nfs/dbraw/zinc/71/95/67/1370719567.db2.gz PNDQOCPOIYHVII-RISCZKNCSA-N 2 1 325.294 3.483 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000969595038 1336226462 /nfs/dbraw/zinc/22/64/62/1336226462.db2.gz MAJNVRZQERVKPO-NSISKUIASA-N 2 1 343.515 3.156 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000969948316 1336264003 /nfs/dbraw/zinc/26/40/03/1336264003.db2.gz JTSDJOIFYWCAJN-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001005590268 1336376335 /nfs/dbraw/zinc/37/63/35/1336376335.db2.gz XADWDIWXXUPBRW-PXNSSMCTSA-N 2 1 343.515 3.155 20 0 EGADMP CC1CCC(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001005590673 1336376670 /nfs/dbraw/zinc/37/66/70/1336376670.db2.gz BJZSJBIATISNEM-QLOJAFMTSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001005594505 1336377438 /nfs/dbraw/zinc/37/74/38/1336377438.db2.gz ZWTFWOGBDZJPMH-HXUWFJFHSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001005991513 1336435565 /nfs/dbraw/zinc/43/55/65/1336435565.db2.gz NPFOTZVVTMNISA-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001006291683 1336484388 /nfs/dbraw/zinc/48/43/88/1336484388.db2.gz HUIUEMCKKYDWKH-ZWKOTPCHSA-N 2 1 343.515 3.012 20 0 EGADMP CC1CCC(C[NH+]2CCC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001006294088 1336484944 /nfs/dbraw/zinc/48/49/44/1336484944.db2.gz KNXWVAWYSWNJDH-CTWPCTMYSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001006446045 1336507536 /nfs/dbraw/zinc/50/75/36/1336507536.db2.gz SHMJWCXRHAWKKI-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(Br)ccc1N(C)C ZINC001205916062 1370909537 /nfs/dbraw/zinc/90/95/37/1370909537.db2.gz RPCWDHUQVYQUSC-OLZOCXBDSA-N 2 1 340.309 3.074 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1c[nH]c2ccc(Br)cc12 ZINC001205902594 1370904843 /nfs/dbraw/zinc/90/48/43/1370904843.db2.gz KTUBZAJJGXFTRE-VXGBXAGGSA-N 2 1 336.277 3.490 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCC3CCC3)C2)C1 ZINC001007496647 1336657544 /nfs/dbraw/zinc/65/75/44/1336657544.db2.gz QHMCATZYRIABIC-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCCC3CCC3)C2)C1 ZINC001007496647 1336657546 /nfs/dbraw/zinc/65/75/46/1336657546.db2.gz QHMCATZYRIABIC-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCCC3CCC3)C2)C1 ZINC001007496647 1336657549 /nfs/dbraw/zinc/65/75/49/1336657549.db2.gz QHMCATZYRIABIC-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CCCC3CCC3)C2)C1 ZINC001007496644 1336657808 /nfs/dbraw/zinc/65/78/08/1336657808.db2.gz QHMCATZYRIABIC-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](CCCC3CCC3)C2)C1 ZINC001007496644 1336657810 /nfs/dbraw/zinc/65/78/10/1336657810.db2.gz QHMCATZYRIABIC-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CCCC3CCC3)C2)C1 ZINC001007496644 1336657814 /nfs/dbraw/zinc/65/78/14/1336657814.db2.gz QHMCATZYRIABIC-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2ccc(Br)cc12 ZINC001205902594 1370904846 /nfs/dbraw/zinc/90/48/46/1370904846.db2.gz KTUBZAJJGXFTRE-VXGBXAGGSA-N 2 1 336.277 3.490 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001007651118 1336683778 /nfs/dbraw/zinc/68/37/78/1336683778.db2.gz ZQFFQIAPLBTHAW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001007651118 1336683783 /nfs/dbraw/zinc/68/37/83/1336683783.db2.gz ZQFFQIAPLBTHAW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001007651118 1336683785 /nfs/dbraw/zinc/68/37/85/1336683785.db2.gz ZQFFQIAPLBTHAW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001007651118 1336683788 /nfs/dbraw/zinc/68/37/88/1336683788.db2.gz ZQFFQIAPLBTHAW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(Br)ccc1N(C)C ZINC001205916062 1370909535 /nfs/dbraw/zinc/90/95/35/1370909535.db2.gz RPCWDHUQVYQUSC-OLZOCXBDSA-N 2 1 340.309 3.074 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007744342 1336693755 /nfs/dbraw/zinc/69/37/55/1336693755.db2.gz JABAFVWJBQEZAT-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001007744342 1336693758 /nfs/dbraw/zinc/69/37/58/1336693758.db2.gz JABAFVWJBQEZAT-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001007744342 1336693761 /nfs/dbraw/zinc/69/37/61/1336693761.db2.gz JABAFVWJBQEZAT-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CCC(C[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)CC1 ZINC001008554698 1336880161 /nfs/dbraw/zinc/88/01/61/1336880161.db2.gz ZPJICOWZNXQACG-ACBHZAAOSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CCC(C[NH+]2CCC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001008554698 1336880162 /nfs/dbraw/zinc/88/01/62/1336880162.db2.gz ZPJICOWZNXQACG-ACBHZAAOSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CCC(C[NH+]2CCC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001008554698 1336880165 /nfs/dbraw/zinc/88/01/65/1336880165.db2.gz ZPJICOWZNXQACG-ACBHZAAOSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001008746765 1336919274 /nfs/dbraw/zinc/91/92/74/1336919274.db2.gz JOBAUXUHCXETMJ-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001008746770 1336919343 /nfs/dbraw/zinc/91/93/43/1336919343.db2.gz JOBAUXUHCXETMJ-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001008747479 1336919549 /nfs/dbraw/zinc/91/95/49/1336919549.db2.gz LIEBBIYXBQAFAX-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001009637559 1337050578 /nfs/dbraw/zinc/05/05/78/1337050578.db2.gz PCMBOKLVMFGSBA-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001009637559 1337050580 /nfs/dbraw/zinc/05/05/80/1337050580.db2.gz PCMBOKLVMFGSBA-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001009637559 1337050582 /nfs/dbraw/zinc/05/05/82/1337050582.db2.gz PCMBOKLVMFGSBA-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1cc(Br)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1O ZINC001206325193 1371023703 /nfs/dbraw/zinc/02/37/03/1371023703.db2.gz GEXNJVMPNZRPFM-MRXNPFEDSA-N 2 1 341.293 3.414 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014391251 1337763804 /nfs/dbraw/zinc/76/38/04/1337763804.db2.gz BPIHOMQBPRAYHC-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001014391251 1337763806 /nfs/dbraw/zinc/76/38/06/1337763806.db2.gz BPIHOMQBPRAYHC-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001014391251 1337763812 /nfs/dbraw/zinc/76/38/12/1337763812.db2.gz BPIHOMQBPRAYHC-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CCCC2CCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001014728089 1337889018 /nfs/dbraw/zinc/88/90/18/1337889018.db2.gz LBGILVPEXOSZQP-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CCCC2CCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001014728089 1337889020 /nfs/dbraw/zinc/88/90/20/1337889020.db2.gz LBGILVPEXOSZQP-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CCCC2CCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001014728089 1337889024 /nfs/dbraw/zinc/88/90/24/1337889024.db2.gz LBGILVPEXOSZQP-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001015387997 1338120915 /nfs/dbraw/zinc/12/09/15/1338120915.db2.gz OHNCMHBNVIRKGC-WOJBJXKFSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1)[NH+]1CCCCCC1 ZINC001015792692 1338312040 /nfs/dbraw/zinc/31/20/40/1338312040.db2.gz BJIUEKJCVCUBOK-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001015794643 1338314765 /nfs/dbraw/zinc/31/47/65/1338314765.db2.gz IPGYJVUAGOBMFE-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001015797117 1338315155 /nfs/dbraw/zinc/31/51/55/1338315155.db2.gz XWOJFGPTOYBLLT-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001015797117 1338315157 /nfs/dbraw/zinc/31/51/57/1338315157.db2.gz XWOJFGPTOYBLLT-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001015797117 1338315159 /nfs/dbraw/zinc/31/51/59/1338315159.db2.gz XWOJFGPTOYBLLT-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](CC3CCCCC3)C2)c1 ZINC001016323030 1338549501 /nfs/dbraw/zinc/54/95/01/1338549501.db2.gz MVXLRODEHVEORI-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](CCCC3CCC3)C2)c1 ZINC001016329898 1338552495 /nfs/dbraw/zinc/55/24/95/1338552495.db2.gz CYUZBFPDIFXDDD-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001016340281 1338555099 /nfs/dbraw/zinc/55/50/99/1338555099.db2.gz WFBLDBLTSKEAFU-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001016340281 1338555100 /nfs/dbraw/zinc/55/51/00/1338555100.db2.gz WFBLDBLTSKEAFU-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001016340281 1338555104 /nfs/dbraw/zinc/55/51/04/1338555104.db2.gz WFBLDBLTSKEAFU-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016610922 1338663140 /nfs/dbraw/zinc/66/31/40/1338663140.db2.gz AEIXYDLATSZLHZ-QZTJIDSGSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016663370 1338683776 /nfs/dbraw/zinc/68/37/76/1338683776.db2.gz QEDWXXRMBNOTSZ-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016984990 1338792808 /nfs/dbraw/zinc/79/28/08/1338792808.db2.gz HSHOAIPKSPHXOV-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@H](C[N@@H+](C)CC3CCCCC3)C2)CCC1 ZINC001017141344 1338893707 /nfs/dbraw/zinc/89/37/07/1338893707.db2.gz DPXQVPOFVSLCLV-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001017153458 1338904325 /nfs/dbraw/zinc/90/43/25/1338904325.db2.gz PVRLEPYFFTUDAG-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001017153458 1338904328 /nfs/dbraw/zinc/90/43/28/1338904328.db2.gz PVRLEPYFFTUDAG-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001017153458 1338904331 /nfs/dbraw/zinc/90/43/31/1338904331.db2.gz PVRLEPYFFTUDAG-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001017249279 1338979500 /nfs/dbraw/zinc/97/95/00/1338979500.db2.gz AJWYEDSMWIIIHL-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001017249279 1338979504 /nfs/dbraw/zinc/97/95/04/1338979504.db2.gz AJWYEDSMWIIIHL-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001017249279 1338979508 /nfs/dbraw/zinc/97/95/08/1338979508.db2.gz AJWYEDSMWIIIHL-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1nc[nH]c1CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001017254312 1338984695 /nfs/dbraw/zinc/98/46/95/1338984695.db2.gz QTUMJIBOIQTXKQ-GOSISDBHSA-N 2 1 346.519 3.011 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001018025676 1339484891 /nfs/dbraw/zinc/48/48/91/1339484891.db2.gz JKJZDCMYUOUYEQ-RLLQIKCJSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176734 1339522709 /nfs/dbraw/zinc/52/27/09/1339522709.db2.gz OQOOWLZFNKGGBT-LWYYNNOASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC(C)(C)C ZINC001028180757 1340470718 /nfs/dbraw/zinc/47/07/18/1340470718.db2.gz FJULJMSYPKZYCK-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001028180757 1340470722 /nfs/dbraw/zinc/47/07/22/1340470722.db2.gz FJULJMSYPKZYCK-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC(C)(C)C ZINC001028180757 1340470725 /nfs/dbraw/zinc/47/07/25/1340470725.db2.gz FJULJMSYPKZYCK-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001028902546 1340879480 /nfs/dbraw/zinc/87/94/80/1340879480.db2.gz YWCSKWAXVNNGKB-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C ZINC001029314450 1340970569 /nfs/dbraw/zinc/97/05/69/1340970569.db2.gz UAUILTSELXXLIL-OKZBNKHCSA-N 2 1 344.503 3.038 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001029314450 1340970570 /nfs/dbraw/zinc/97/05/70/1340970570.db2.gz UAUILTSELXXLIL-OKZBNKHCSA-N 2 1 344.503 3.038 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001029595585 1341018585 /nfs/dbraw/zinc/01/85/85/1341018585.db2.gz MZUMCKYUTJOEQD-QGZVKYPTSA-N 2 1 347.547 3.115 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001029597172 1341018920 /nfs/dbraw/zinc/01/89/20/1341018920.db2.gz KUHSJBHPTCWTFR-BGYRXZFFSA-N 2 1 347.547 3.118 20 0 EGADMP C[NH+](C)C1(C(=O)N2CC[C@H](C[N@H+](C)CC3CCCCCC3)C2)CCC1 ZINC001029756364 1341064370 /nfs/dbraw/zinc/06/43/70/1341064370.db2.gz UTNUAOMQFFTLQV-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)CC1CCCCCC1 ZINC001029824099 1341086840 /nfs/dbraw/zinc/08/68/40/1341086840.db2.gz LXHTXJPLKLERDB-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029910347 1341113812 /nfs/dbraw/zinc/11/38/12/1341113812.db2.gz HKNMURFBQIDOHG-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001029910347 1341113813 /nfs/dbraw/zinc/11/38/13/1341113813.db2.gz HKNMURFBQIDOHG-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001029910347 1341113814 /nfs/dbraw/zinc/11/38/14/1341113814.db2.gz HKNMURFBQIDOHG-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CC1CCCCC1)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001029990591 1341148405 /nfs/dbraw/zinc/14/84/05/1341148405.db2.gz OCFAEPVHEXJBKJ-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)(C(=O)NC1C[NH+](CCC2CCCCCC2)C1)[NH+]1CCCCC1 ZINC001030312648 1341177854 /nfs/dbraw/zinc/17/78/54/1341177854.db2.gz DUVJTFVAPPSDDO-UHFFFAOYSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[C@H](CC[NH+]2CC(NC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001030313195 1341177953 /nfs/dbraw/zinc/17/79/53/1341177953.db2.gz RNOPBWYTKNUBFW-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CCC(C[NH+]2CC(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC001030444671 1341187995 /nfs/dbraw/zinc/18/79/95/1341187995.db2.gz LPYSSMUFPGIRJA-LBXVMSDZSA-N 2 1 347.547 3.020 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001030444403 1341188140 /nfs/dbraw/zinc/18/81/40/1341188140.db2.gz JQSXFMDZGLCCGP-HXUWFJFHSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001030444403 1341188141 /nfs/dbraw/zinc/18/81/41/1341188141.db2.gz JQSXFMDZGLCCGP-HXUWFJFHSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@@H](C(=O)NC1C[NH+](CC2CCC3(CC3)CC2)C1)[NH+]1CCCCCC1 ZINC001031049777 1341270001 /nfs/dbraw/zinc/27/00/01/1341270001.db2.gz NFEFQQUHJLAUKL-KRWDZBQOSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC2CCCCCC2)C1 ZINC001031235190 1341301353 /nfs/dbraw/zinc/30/13/53/1341301353.db2.gz PPHNWRMZQJHBEX-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP O=C(NCC1C[NH+](CCC2CCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001032042763 1341444065 /nfs/dbraw/zinc/44/40/65/1341444065.db2.gz JPTXYNVVZSKQLK-WOJBJXKFSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032609739 1341558349 /nfs/dbraw/zinc/55/83/49/1341558349.db2.gz ICBLNOXIYQBYHK-LWYYNNOASA-N 2 1 343.515 3.009 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCCCC1 ZINC001032802999 1341618838 /nfs/dbraw/zinc/61/88/38/1341618838.db2.gz WHPQIROQQWVXLB-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCCC1 ZINC001032802999 1341618839 /nfs/dbraw/zinc/61/88/39/1341618839.db2.gz WHPQIROQQWVXLB-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCCC1 ZINC001032802999 1341618840 /nfs/dbraw/zinc/61/88/40/1341618840.db2.gz WHPQIROQQWVXLB-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3CCCCCC3)C2)CC[N@H+]1C ZINC001033092001 1341720417 /nfs/dbraw/zinc/72/04/17/1341720417.db2.gz PMRVVVVVQBDXMM-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCC3CCCCCC3)C2)CC[NH+]1C ZINC001033092001 1341720418 /nfs/dbraw/zinc/72/04/18/1341720418.db2.gz PMRVVVVVQBDXMM-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCC3CCCCCC3)C2)CC[NH+]1C ZINC001033092001 1341720419 /nfs/dbraw/zinc/72/04/19/1341720419.db2.gz PMRVVVVVQBDXMM-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001033098798 1341722210 /nfs/dbraw/zinc/72/22/10/1341722210.db2.gz KHDDNJFVATXCNX-SLFFLAALSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001033098798 1341722211 /nfs/dbraw/zinc/72/22/11/1341722211.db2.gz KHDDNJFVATXCNX-SLFFLAALSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001033098798 1341722213 /nfs/dbraw/zinc/72/22/13/1341722213.db2.gz KHDDNJFVATXCNX-SLFFLAALSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001033143896 1341738007 /nfs/dbraw/zinc/73/80/07/1341738007.db2.gz NJDJWTCKGFNEIB-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001033143896 1341738009 /nfs/dbraw/zinc/73/80/09/1341738009.db2.gz NJDJWTCKGFNEIB-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001033143896 1341738012 /nfs/dbraw/zinc/73/80/12/1341738012.db2.gz NJDJWTCKGFNEIB-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365534 1341797816 /nfs/dbraw/zinc/79/78/16/1341797816.db2.gz OQSBCLQAYSDSNL-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365534 1341797817 /nfs/dbraw/zinc/79/78/17/1341797817.db2.gz OQSBCLQAYSDSNL-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365534 1341797820 /nfs/dbraw/zinc/79/78/20/1341797820.db2.gz OQSBCLQAYSDSNL-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC1CCC(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)CC1 ZINC001033427043 1341822021 /nfs/dbraw/zinc/82/20/21/1341822021.db2.gz XIQQOVYRYSMCDO-ACBHZAAOSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CCC(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001033427043 1341822023 /nfs/dbraw/zinc/82/20/23/1341822023.db2.gz XIQQOVYRYSMCDO-ACBHZAAOSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CCC(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001033427043 1341822024 /nfs/dbraw/zinc/82/20/24/1341822024.db2.gz XIQQOVYRYSMCDO-ACBHZAAOSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033686695 1341952150 /nfs/dbraw/zinc/95/21/50/1341952150.db2.gz RLYPZLQAMRTORH-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033686695 1341952155 /nfs/dbraw/zinc/95/21/55/1341952155.db2.gz RLYPZLQAMRTORH-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033686695 1341952158 /nfs/dbraw/zinc/95/21/58/1341952158.db2.gz RLYPZLQAMRTORH-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC3CCC3)C2)o1 ZINC001033699070 1341966150 /nfs/dbraw/zinc/96/61/50/1341966150.db2.gz JWYAFYGYESAHMY-KRWDZBQOSA-N 2 1 347.503 3.068 20 0 EGADMP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001033878625 1342056201 /nfs/dbraw/zinc/05/62/01/1342056201.db2.gz MNXLHBICMTWADA-GOSISDBHSA-N 2 1 340.471 3.145 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21)[NH+](C)C ZINC001075940298 1356451315 /nfs/dbraw/zinc/45/13/15/1356451315.db2.gz ICPBPZLSVYIWLE-IPMKNSEASA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034209581 1342318926 /nfs/dbraw/zinc/31/89/26/1342318926.db2.gz BXJCXJUMIKYMSM-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034212978 1342322173 /nfs/dbraw/zinc/32/21/73/1342322173.db2.gz SOAFPXIHLQRSPC-OALUTQOASA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034212978 1342322178 /nfs/dbraw/zinc/32/21/78/1342322178.db2.gz SOAFPXIHLQRSPC-OALUTQOASA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034212978 1342322182 /nfs/dbraw/zinc/32/21/82/1342322182.db2.gz SOAFPXIHLQRSPC-OALUTQOASA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCCC[N@H+](CC2CCC2)C1 ZINC001034228668 1342333363 /nfs/dbraw/zinc/33/33/63/1342333363.db2.gz HKVTZAZDULEAMY-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCCC[N@@H+](CC2CCC2)C1 ZINC001034228668 1342333365 /nfs/dbraw/zinc/33/33/65/1342333365.db2.gz HKVTZAZDULEAMY-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034240508 1342341400 /nfs/dbraw/zinc/34/14/00/1342341400.db2.gz QMVSHQJAQJIWDZ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034240508 1342341405 /nfs/dbraw/zinc/34/14/05/1342341405.db2.gz QMVSHQJAQJIWDZ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034240508 1342341408 /nfs/dbraw/zinc/34/14/08/1342341408.db2.gz QMVSHQJAQJIWDZ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034251290 1342347604 /nfs/dbraw/zinc/34/76/04/1342347604.db2.gz YFSHHTFDNPKBFQ-ROUUACIJSA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034251290 1342347605 /nfs/dbraw/zinc/34/76/05/1342347605.db2.gz YFSHHTFDNPKBFQ-ROUUACIJSA-N 2 1 346.519 3.167 20 0 EGADMP Cc1c(C(=O)N[C@H]2CCCC[N@H+](CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001034286238 1342374171 /nfs/dbraw/zinc/37/41/71/1342374171.db2.gz XCSDKCQCLDWQSP-KRWDZBQOSA-N 2 1 342.487 3.273 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCC(C)C)C2)C1 ZINC001034367719 1342437558 /nfs/dbraw/zinc/43/75/58/1342437558.db2.gz HIEXWOOFNMSTDB-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCC(C)C)C2)C1 ZINC001034367719 1342437559 /nfs/dbraw/zinc/43/75/59/1342437559.db2.gz HIEXWOOFNMSTDB-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCC(C)C)C2)C1 ZINC001034367719 1342437561 /nfs/dbraw/zinc/43/75/61/1342437561.db2.gz HIEXWOOFNMSTDB-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034398126 1342465110 /nfs/dbraw/zinc/46/51/10/1342465110.db2.gz MHRLDBJLCCLXDW-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](CCCC2CCCC2)C1 ZINC001034398126 1342465116 /nfs/dbraw/zinc/46/51/16/1342465116.db2.gz MHRLDBJLCCLXDW-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](CCCC2CCCC2)C1 ZINC001034398126 1342465120 /nfs/dbraw/zinc/46/51/20/1342465120.db2.gz MHRLDBJLCCLXDW-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444517 1342504469 /nfs/dbraw/zinc/50/44/69/1342504469.db2.gz HSNSQQNSKJLMGS-VQIMIIECSA-N 2 1 349.494 3.081 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034479228 1342536825 /nfs/dbraw/zinc/53/68/25/1342536825.db2.gz UZVGDMASFHDYEF-XLIONFOSSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034538044 1342595167 /nfs/dbraw/zinc/59/51/67/1342595167.db2.gz HMCSFKKKGPYOQW-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034538044 1342595173 /nfs/dbraw/zinc/59/51/73/1342595173.db2.gz HMCSFKKKGPYOQW-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034538044 1342595176 /nfs/dbraw/zinc/59/51/76/1342595176.db2.gz HMCSFKKKGPYOQW-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001034612570 1342647821 /nfs/dbraw/zinc/64/78/21/1342647821.db2.gz SXQJYQXSAGXMAX-SOAMZJECSA-N 2 1 343.515 3.167 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001034643498 1342668174 /nfs/dbraw/zinc/66/81/74/1342668174.db2.gz XBIQGXHRGQELNQ-UFYCRDLUSA-N 2 1 347.547 3.377 20 0 EGADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)cs1 ZINC001034674297 1342685812 /nfs/dbraw/zinc/68/58/12/1342685812.db2.gz KWEMPZHIHCTIOH-KZNAEPCWSA-N 2 1 349.544 3.058 20 0 EGADMP CC1CCC(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001034776439 1342754191 /nfs/dbraw/zinc/75/41/91/1342754191.db2.gz UIPWLFYPONGILU-WFAGLZIHSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001034796554 1342763252 /nfs/dbraw/zinc/76/32/52/1342763252.db2.gz ITIUFGNKSXSOSJ-BMOGMMAESA-N 2 1 349.563 3.457 20 0 EGADMP CC1CCC(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001035028924 1342885184 /nfs/dbraw/zinc/88/51/84/1342885184.db2.gz ZBKHFJRNLJIRPD-KPZODNFCSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001035069410 1342911286 /nfs/dbraw/zinc/91/12/86/1342911286.db2.gz SPYXGFZZYAGIDZ-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001035071177 1342911640 /nfs/dbraw/zinc/91/16/40/1342911640.db2.gz PWYQOUUJJUBYFC-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035233558 1343055212 /nfs/dbraw/zinc/05/52/12/1343055212.db2.gz IRWWEAIHOIJQIB-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244071 1343065662 /nfs/dbraw/zinc/06/56/62/1343065662.db2.gz ILWPFMDJZRASSI-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001036408009 1343468894 /nfs/dbraw/zinc/46/88/94/1343468894.db2.gz CYVOKBXSXSTSRA-MJGOQNOKSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001036556390 1343552378 /nfs/dbraw/zinc/55/23/78/1343552378.db2.gz JYIKYDALMJATIX-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC001036580573 1343563620 /nfs/dbraw/zinc/56/36/20/1343563620.db2.gz DLKRFUXQXWMSBX-IRXDYDNUSA-N 2 1 334.508 3.022 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCCC[C@H]2C[NH2+]CC2CCCC2)C1 ZINC001037240754 1344063012 /nfs/dbraw/zinc/06/30/12/1344063012.db2.gz MIJOIDLJDQDZTP-OALUTQOASA-N 2 1 349.563 3.173 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCC1 ZINC001038314129 1344375411 /nfs/dbraw/zinc/37/54/11/1344375411.db2.gz HPCDJPFNXYCJFE-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001038314129 1344375416 /nfs/dbraw/zinc/37/54/16/1344375416.db2.gz HPCDJPFNXYCJFE-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCC2CCCCC2)C1 ZINC001038339367 1344387302 /nfs/dbraw/zinc/38/73/02/1344387302.db2.gz GRGFCZJVWZRBOC-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCC2CCCCC2)C1 ZINC001038339367 1344387304 /nfs/dbraw/zinc/38/73/04/1344387304.db2.gz GRGFCZJVWZRBOC-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCC2CCCCC2)C1 ZINC001038339367 1344387307 /nfs/dbraw/zinc/38/73/07/1344387307.db2.gz GRGFCZJVWZRBOC-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001038348896 1344391807 /nfs/dbraw/zinc/39/18/07/1344391807.db2.gz DMKGFDZFTPLKBA-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC(C[NH+]2CC[C@@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001038348896 1344391814 /nfs/dbraw/zinc/39/18/14/1344391814.db2.gz DMKGFDZFTPLKBA-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC(C[NH+]2CC[C@@H]2CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001038348896 1344391819 /nfs/dbraw/zinc/39/18/19/1344391819.db2.gz DMKGFDZFTPLKBA-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001038348902 1344391934 /nfs/dbraw/zinc/39/19/34/1344391934.db2.gz DMKGFDZFTPLKBA-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC(C[NH+]2CC[C@@H]2CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001038348902 1344391938 /nfs/dbraw/zinc/39/19/38/1344391938.db2.gz DMKGFDZFTPLKBA-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC(C[NH+]2CC[C@@H]2CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001038348902 1344391940 /nfs/dbraw/zinc/39/19/40/1344391940.db2.gz DMKGFDZFTPLKBA-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038353479 1344394403 /nfs/dbraw/zinc/39/44/03/1344394403.db2.gz NKSSVAVSEWCVDM-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038353479 1344394408 /nfs/dbraw/zinc/39/44/08/1344394408.db2.gz NKSSVAVSEWCVDM-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038353479 1344394412 /nfs/dbraw/zinc/39/44/12/1344394412.db2.gz NKSSVAVSEWCVDM-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001039047645 1344732766 /nfs/dbraw/zinc/73/27/66/1344732766.db2.gz FSAVUKMFWOFMOK-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001039047645 1344732770 /nfs/dbraw/zinc/73/27/70/1344732770.db2.gz FSAVUKMFWOFMOK-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001039047645 1344732775 /nfs/dbraw/zinc/73/27/75/1344732775.db2.gz FSAVUKMFWOFMOK-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+]1CC1=CCCCC1 ZINC001039049722 1344735379 /nfs/dbraw/zinc/73/53/79/1344735379.db2.gz MLFNLINSPSSPJX-LJQANCHMSA-N 2 1 341.499 3.053 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001039051395 1344736821 /nfs/dbraw/zinc/73/68/21/1344736821.db2.gz VPXVUYIBSKOPPD-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001039051395 1344736825 /nfs/dbraw/zinc/73/68/25/1344736825.db2.gz VPXVUYIBSKOPPD-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001039051395 1344736828 /nfs/dbraw/zinc/73/68/28/1344736828.db2.gz VPXVUYIBSKOPPD-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CCC(C)(C)C)o1 ZINC001039071533 1344754620 /nfs/dbraw/zinc/75/46/20/1344754620.db2.gz ANXXNZSONDOPBG-INIZCTEOSA-N 2 1 349.519 3.362 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001039075040 1344756940 /nfs/dbraw/zinc/75/69/40/1344756940.db2.gz XQDMZUVLDKKIBU-KRWDZBQOSA-N 2 1 349.519 3.362 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137315 1344816900 /nfs/dbraw/zinc/81/69/00/1344816900.db2.gz GIKSRQICSFOKAJ-UXHICEINSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039137315 1344816904 /nfs/dbraw/zinc/81/69/04/1344816904.db2.gz GIKSRQICSFOKAJ-UXHICEINSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039137315 1344816908 /nfs/dbraw/zinc/81/69/08/1344816908.db2.gz GIKSRQICSFOKAJ-UXHICEINSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039175836 1344867125 /nfs/dbraw/zinc/86/71/25/1344867125.db2.gz DWLOTGXONYJXTL-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001039277030 1344993785 /nfs/dbraw/zinc/99/37/85/1344993785.db2.gz VEYWERPDAFADCL-IPQPSQTFSA-N 2 1 335.536 3.017 20 0 EGADMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001039284628 1344996506 /nfs/dbraw/zinc/99/65/06/1344996506.db2.gz YXUQPQITJGSPDP-ZNXRZULTSA-N 2 1 335.536 3.161 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001039384879 1345038288 /nfs/dbraw/zinc/03/82/88/1345038288.db2.gz OXHAXFPQTCRWHT-ZCNNSNEGSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001039384879 1345038290 /nfs/dbraw/zinc/03/82/90/1345038290.db2.gz OXHAXFPQTCRWHT-ZCNNSNEGSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001039384879 1345038293 /nfs/dbraw/zinc/03/82/93/1345038293.db2.gz OXHAXFPQTCRWHT-ZCNNSNEGSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001039388137 1345040165 /nfs/dbraw/zinc/04/01/65/1345040165.db2.gz BUQBGSXSROHZCX-AQNXPRMDSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001039388137 1345040167 /nfs/dbraw/zinc/04/01/67/1345040167.db2.gz BUQBGSXSROHZCX-AQNXPRMDSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001039388137 1345040169 /nfs/dbraw/zinc/04/01/69/1345040169.db2.gz BUQBGSXSROHZCX-AQNXPRMDSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001039398084 1345046134 /nfs/dbraw/zinc/04/61/34/1345046134.db2.gz KVAGKYIOXWYTCZ-AABGKKOBSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001039398084 1345046137 /nfs/dbraw/zinc/04/61/37/1345046137.db2.gz KVAGKYIOXWYTCZ-AABGKKOBSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001039398084 1345046140 /nfs/dbraw/zinc/04/61/40/1345046140.db2.gz KVAGKYIOXWYTCZ-AABGKKOBSA-N 2 1 347.547 3.138 20 0 EGADMP CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H](C)c1ccccc1)[NH+](C)C ZINC001039919529 1345245743 /nfs/dbraw/zinc/24/57/43/1345245743.db2.gz CSIPGDLNPAMKNX-LMCOJAPRSA-N 2 1 343.515 3.153 20 0 EGADMP CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H](C)c1ccccc1)[NH+](C)C ZINC001039919529 1345245746 /nfs/dbraw/zinc/24/57/46/1345245746.db2.gz CSIPGDLNPAMKNX-LMCOJAPRSA-N 2 1 343.515 3.153 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001040014901 1345288364 /nfs/dbraw/zinc/28/83/64/1345288364.db2.gz UAVHZXJJZPLCIV-LFGUQSLTSA-N 2 1 347.547 3.115 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@]3(C2)CCC[NH+](CCC(C)(C)C)C3)C1 ZINC001040396969 1345475923 /nfs/dbraw/zinc/47/59/23/1345475923.db2.gz XHXXKDRKTQTSPS-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC(C)(C)C)C3)C1 ZINC001040396969 1345475926 /nfs/dbraw/zinc/47/59/26/1345475926.db2.gz XHXXKDRKTQTSPS-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC(C)(C)C)C3)C1 ZINC001040396969 1345475931 /nfs/dbraw/zinc/47/59/31/1345475931.db2.gz XHXXKDRKTQTSPS-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040421619 1345488411 /nfs/dbraw/zinc/48/84/11/1345488411.db2.gz HGVJMICLSNHWTE-FQEVSTJZSA-N 2 1 346.519 3.121 20 0 EGADMP CCCC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040421619 1345488412 /nfs/dbraw/zinc/48/84/12/1345488412.db2.gz HGVJMICLSNHWTE-FQEVSTJZSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@@H](C)CC)CC2 ZINC001040723727 1345571145 /nfs/dbraw/zinc/57/11/45/1345571145.db2.gz LDUGFYWDIOAOSC-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041299694 1345696468 /nfs/dbraw/zinc/69/64/68/1345696468.db2.gz DPNAOFJBNXSBTP-FXAWDEMLSA-N 2 1 346.519 3.121 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041299694 1345696470 /nfs/dbraw/zinc/69/64/70/1345696470.db2.gz DPNAOFJBNXSBTP-FXAWDEMLSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCC(C)C)C3)C2)C1 ZINC001041587761 1345783612 /nfs/dbraw/zinc/78/36/12/1345783612.db2.gz RULQTQPMEGYFEA-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@@]3(CC[N@H+](CCC(C)C)C3)C2)C1 ZINC001041587761 1345783616 /nfs/dbraw/zinc/78/36/16/1345783616.db2.gz RULQTQPMEGYFEA-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CCC(C)C)C3)C2)C1 ZINC001041587761 1345783620 /nfs/dbraw/zinc/78/36/20/1345783620.db2.gz RULQTQPMEGYFEA-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042063375 1345933458 /nfs/dbraw/zinc/93/34/58/1345933458.db2.gz VSPJMIQIWFYLSS-RTBURBONSA-N 2 1 347.547 3.140 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042254320 1346007347 /nfs/dbraw/zinc/00/73/47/1346007347.db2.gz KMRDHXKHNWEFJD-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042254320 1346007350 /nfs/dbraw/zinc/00/73/50/1346007350.db2.gz KMRDHXKHNWEFJD-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP Clc1cc(Cl)cc(C[N@@H+]2CCOCC3(CC[NH2+]CC3)C2)c1 ZINC001222400653 1373836825 /nfs/dbraw/zinc/83/68/25/1373836825.db2.gz CMNYXWXJCXAKJI-UHFFFAOYSA-N 2 1 329.271 3.195 20 0 EGADMP Clc1cc(Cl)cc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c1 ZINC001222400653 1373836830 /nfs/dbraw/zinc/83/68/30/1373836830.db2.gz CMNYXWXJCXAKJI-UHFFFAOYSA-N 2 1 329.271 3.195 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCC2=CCCCC2)C1 ZINC001043198186 1346152325 /nfs/dbraw/zinc/15/23/25/1346152325.db2.gz GRZHWEKYSGPVEL-FQEVSTJZSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCC2=CCCCC2)C1 ZINC001043198186 1346152329 /nfs/dbraw/zinc/15/23/29/1346152329.db2.gz GRZHWEKYSGPVEL-FQEVSTJZSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H](C(=O)N(C)C1C[NH+](CCC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001044003548 1346232031 /nfs/dbraw/zinc/23/20/31/1346232031.db2.gz NVDCHKIQCDEVQD-GOSISDBHSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1C[NH+](CCCC2CCCC2)C1 ZINC001044034333 1346237245 /nfs/dbraw/zinc/23/72/45/1346237245.db2.gz LLJJAJDOPOQMCI-AZUAARDMSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1C[NH+](CCCC2CCCC2)C1 ZINC001044034333 1346237249 /nfs/dbraw/zinc/23/72/49/1346237249.db2.gz LLJJAJDOPOQMCI-AZUAARDMSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC001044768264 1346424690 /nfs/dbraw/zinc/42/46/90/1346424690.db2.gz UFSNVTAVFSEZMI-DLBZAZTESA-N 2 1 334.508 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045060680 1346488345 /nfs/dbraw/zinc/48/83/45/1346488345.db2.gz GZPKFZVMEZGZEF-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2(C)CC[NH+](CCC(C)C)CC2)C1 ZINC001045531427 1346618981 /nfs/dbraw/zinc/61/89/81/1346618981.db2.gz IHHIJAXHNMZYCD-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1)[NH+](C)C ZINC001045797160 1346700685 /nfs/dbraw/zinc/70/06/85/1346700685.db2.gz SPLKTJZEELEKNJ-AABGKKOBSA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(C)C ZINC001045876311 1346728881 /nfs/dbraw/zinc/72/88/81/1346728881.db2.gz GBTNEACDLJTKRS-AABGKKOBSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001045876311 1346728884 /nfs/dbraw/zinc/72/88/84/1346728884.db2.gz GBTNEACDLJTKRS-AABGKKOBSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001045876311 1346728885 /nfs/dbraw/zinc/72/88/85/1346728885.db2.gz GBTNEACDLJTKRS-AABGKKOBSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045940580 1346776234 /nfs/dbraw/zinc/77/62/34/1346776234.db2.gz AYMQYLKWGPNHMM-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001045940580 1346776237 /nfs/dbraw/zinc/77/62/37/1346776237.db2.gz AYMQYLKWGPNHMM-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001045940580 1346776238 /nfs/dbraw/zinc/77/62/38/1346776238.db2.gz AYMQYLKWGPNHMM-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958003 1346793047 /nfs/dbraw/zinc/79/30/47/1346793047.db2.gz IXZQAPSSNJGWJL-NRFANRHFSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001045974064 1346810375 /nfs/dbraw/zinc/81/03/75/1346810375.db2.gz XFBACPBGZZOGNG-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045986680 1346828796 /nfs/dbraw/zinc/82/87/96/1346828796.db2.gz XZUWNJGCQIIAQS-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046483422 1346990883 /nfs/dbraw/zinc/99/08/83/1346990883.db2.gz AANGHQYNHYOKLW-HRAATJIYSA-N 2 1 348.450 3.290 20 0 EGADMP Cc1cccc(C[N@H+]2CC[C@](C)(NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001046486832 1346992095 /nfs/dbraw/zinc/99/20/95/1346992095.db2.gz LWGLMNCGWVNOGN-NRFANRHFSA-N 2 1 348.450 3.037 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001046554338 1347015017 /nfs/dbraw/zinc/01/50/17/1347015017.db2.gz OMEAZEFOABXQTD-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001046554338 1347015018 /nfs/dbraw/zinc/01/50/18/1347015018.db2.gz OMEAZEFOABXQTD-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001046554338 1347015019 /nfs/dbraw/zinc/01/50/19/1347015019.db2.gz OMEAZEFOABXQTD-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@]2(C)CC[NH+](CCC3CCCCC3)C2)CC[N@H+]1C ZINC001046568755 1347021592 /nfs/dbraw/zinc/02/15/92/1347021592.db2.gz CDWVMRGOKHZTNM-HFSMHLIXSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001046568755 1347021594 /nfs/dbraw/zinc/02/15/94/1347021594.db2.gz CDWVMRGOKHZTNM-HFSMHLIXSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001046568755 1347021596 /nfs/dbraw/zinc/02/15/96/1347021596.db2.gz CDWVMRGOKHZTNM-HFSMHLIXSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046618730 1347040369 /nfs/dbraw/zinc/04/03/69/1347040369.db2.gz IWYWSOBBPNQVMX-NRFANRHFSA-N 2 1 345.531 3.031 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C3CC[NH+](C(C)C)CC3)C2)CC[N@H+]1C ZINC001047241074 1347267427 /nfs/dbraw/zinc/26/74/27/1347267427.db2.gz KKNKSLNZZAWRDA-SLFFLAALSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[NH+]1CCC([C@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001047245139 1347270366 /nfs/dbraw/zinc/27/03/66/1347270366.db2.gz XRRXXEUGMRTFMY-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001047256820 1347280274 /nfs/dbraw/zinc/28/02/74/1347280274.db2.gz CGSSQWWEFCBZDL-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1C ZINC001079687897 1357348439 /nfs/dbraw/zinc/34/84/39/1357348439.db2.gz YBTUYJQLUSXMKI-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1C ZINC001079687897 1357348445 /nfs/dbraw/zinc/34/84/45/1357348445.db2.gz YBTUYJQLUSXMKI-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1C ZINC001079687897 1357348449 /nfs/dbraw/zinc/34/84/49/1357348449.db2.gz YBTUYJQLUSXMKI-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001048524820 1347577679 /nfs/dbraw/zinc/57/76/79/1347577679.db2.gz ANBALUVDHWKAFD-FCGDIQPGSA-N 2 1 335.536 3.019 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001048524820 1347577681 /nfs/dbraw/zinc/57/76/81/1347577681.db2.gz ANBALUVDHWKAFD-FCGDIQPGSA-N 2 1 335.536 3.019 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001048524820 1347577684 /nfs/dbraw/zinc/57/76/84/1347577684.db2.gz ANBALUVDHWKAFD-FCGDIQPGSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC=C(C)C ZINC001048530183 1347579842 /nfs/dbraw/zinc/57/98/42/1347579842.db2.gz HWWXZFCMSBMRFT-YRPNKDGESA-N 2 1 347.547 3.186 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C ZINC001048530183 1347579844 /nfs/dbraw/zinc/57/98/44/1347579844.db2.gz HWWXZFCMSBMRFT-YRPNKDGESA-N 2 1 347.547 3.186 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001048530183 1347579846 /nfs/dbraw/zinc/57/98/46/1347579846.db2.gz HWWXZFCMSBMRFT-YRPNKDGESA-N 2 1 347.547 3.186 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001048590324 1347609234 /nfs/dbraw/zinc/60/92/34/1347609234.db2.gz MVLRWAYGUBANCK-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001048590324 1347609237 /nfs/dbraw/zinc/60/92/37/1347609237.db2.gz MVLRWAYGUBANCK-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001048590324 1347609239 /nfs/dbraw/zinc/60/92/39/1347609239.db2.gz MVLRWAYGUBANCK-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001048590588 1347609882 /nfs/dbraw/zinc/60/98/82/1347609882.db2.gz PEACTYRUXXPSEK-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001048590588 1347609884 /nfs/dbraw/zinc/60/98/84/1347609884.db2.gz PEACTYRUXXPSEK-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001048590588 1347609886 /nfs/dbraw/zinc/60/98/86/1347609886.db2.gz PEACTYRUXXPSEK-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001048624679 1347623672 /nfs/dbraw/zinc/62/36/72/1347623672.db2.gz XZVWYXCTDHTKHF-UFYCRDLUSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001048911009 1347683215 /nfs/dbraw/zinc/68/32/15/1347683215.db2.gz RDODDRVNWLOGPC-HDICACEKSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1C[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]2C1 ZINC001048911009 1347683217 /nfs/dbraw/zinc/68/32/17/1347683217.db2.gz RDODDRVNWLOGPC-HDICACEKSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1C[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]2C1 ZINC001048911009 1347683218 /nfs/dbraw/zinc/68/32/18/1347683218.db2.gz RDODDRVNWLOGPC-HDICACEKSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1)[NH+]1CCCCCC1 ZINC001049094785 1347723511 /nfs/dbraw/zinc/72/35/11/1347723511.db2.gz QBFWLZOLMUDXGP-QRVBRYPASA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC1CCCC1)C1CCC1 ZINC001049522431 1347890572 /nfs/dbraw/zinc/89/05/72/1347890572.db2.gz PZCWBSHSHZVJLF-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CCCC1)C1CCC1 ZINC001049522431 1347890575 /nfs/dbraw/zinc/89/05/75/1347890575.db2.gz PZCWBSHSHZVJLF-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CCCC1)C1CCC1 ZINC001049522431 1347890579 /nfs/dbraw/zinc/89/05/79/1347890579.db2.gz PZCWBSHSHZVJLF-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001049548142 1347902551 /nfs/dbraw/zinc/90/25/51/1347902551.db2.gz CPIBONFWKGIVEC-VAMGGRTRSA-N 2 1 347.547 3.282 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049638891 1347948061 /nfs/dbraw/zinc/94/80/61/1347948061.db2.gz NCBQRPOHSWOLLZ-RTBURBONSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049787097 1348022035 /nfs/dbraw/zinc/02/20/35/1348022035.db2.gz DZTGTTXQPRJQDM-VQTJNVASSA-N 2 1 343.515 3.227 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049913968 1348108952 /nfs/dbraw/zinc/10/89/52/1348108952.db2.gz KZBYKAQOTQKJKK-XUVXKRRUSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049913967 1348109055 /nfs/dbraw/zinc/10/90/55/1348109055.db2.gz KZBYKAQOTQKJKK-VAMGGRTRSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CC2CC2)cc1 ZINC001050261645 1348221450 /nfs/dbraw/zinc/22/14/50/1348221450.db2.gz IMXHIOGDOPVEFT-OXQOHEQNSA-N 2 1 343.515 3.236 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC(C)C3)CC2)CC[N@H+]1C ZINC001050328779 1348228600 /nfs/dbraw/zinc/22/86/00/1348228600.db2.gz LJKACGOKDBNIKO-OMRUQTPYSA-N 2 1 349.563 3.027 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001050392390 1348249112 /nfs/dbraw/zinc/24/91/12/1348249112.db2.gz ABGPKCUWXJMNGA-UFYCRDLUSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)C[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)CC1 ZINC001050574882 1348292165 /nfs/dbraw/zinc/29/21/65/1348292165.db2.gz YZZUXVVRMPXPPK-UHFFFAOYSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)CC1 ZINC001050728181 1348339661 /nfs/dbraw/zinc/33/96/61/1348339661.db2.gz NGLRGKXOPBUPLG-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001050764751 1348352179 /nfs/dbraw/zinc/35/21/79/1348352179.db2.gz GOSYZKQXECKASN-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CC3CCCCCC3)CC2)CC[N@H+]1C ZINC001052392354 1348539314 /nfs/dbraw/zinc/53/93/14/1348539314.db2.gz WPNLXFUNFOKPIX-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](CC3CCCCCC3)CC2)CC[NH+]1C ZINC001052392354 1348539317 /nfs/dbraw/zinc/53/93/17/1348539317.db2.gz WPNLXFUNFOKPIX-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](CC3CCCCCC3)CC2)CC[NH+]1C ZINC001052392354 1348539318 /nfs/dbraw/zinc/53/93/18/1348539318.db2.gz WPNLXFUNFOKPIX-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001052499565 1348560052 /nfs/dbraw/zinc/56/00/52/1348560052.db2.gz YHECPJJACGBOCL-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC001052499565 1348560053 /nfs/dbraw/zinc/56/00/53/1348560053.db2.gz YHECPJJACGBOCL-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC001052499565 1348560055 /nfs/dbraw/zinc/56/00/55/1348560055.db2.gz YHECPJJACGBOCL-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC001052499312 1348560281 /nfs/dbraw/zinc/56/02/81/1348560281.db2.gz SWRCNBCWGONICG-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001052499312 1348560282 /nfs/dbraw/zinc/56/02/82/1348560282.db2.gz SWRCNBCWGONICG-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001052499312 1348560283 /nfs/dbraw/zinc/56/02/83/1348560283.db2.gz SWRCNBCWGONICG-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052621110 1348598477 /nfs/dbraw/zinc/59/84/77/1348598477.db2.gz WTBNWLMSQAUDMO-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2CC2)CC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001052651873 1348614125 /nfs/dbraw/zinc/61/41/25/1348614125.db2.gz NYLFSEPXMNBXIJ-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CC2CC2)CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001052651873 1348614126 /nfs/dbraw/zinc/61/41/26/1348614126.db2.gz NYLFSEPXMNBXIJ-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CC2CC2)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001052651873 1348614130 /nfs/dbraw/zinc/61/41/30/1348614130.db2.gz NYLFSEPXMNBXIJ-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052651890 1348614337 /nfs/dbraw/zinc/61/43/37/1348614337.db2.gz OLKHNGVFDVJNIG-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052651890 1348614339 /nfs/dbraw/zinc/61/43/39/1348614339.db2.gz OLKHNGVFDVJNIG-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052651890 1348614341 /nfs/dbraw/zinc/61/43/41/1348614341.db2.gz OLKHNGVFDVJNIG-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CCCCCC3)CC2)CC1 ZINC001052680465 1348627645 /nfs/dbraw/zinc/62/76/45/1348627645.db2.gz LNAOBSGXLDWUPI-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052859801 1348705858 /nfs/dbraw/zinc/70/58/58/1348705858.db2.gz NJOSFXQYXASLDH-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001052859801 1348705861 /nfs/dbraw/zinc/70/58/61/1348705861.db2.gz NJOSFXQYXASLDH-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001052859801 1348705864 /nfs/dbraw/zinc/70/58/64/1348705864.db2.gz NJOSFXQYXASLDH-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CC3CCC(C)(C)CC3)CC2)C1 ZINC001052933770 1348754742 /nfs/dbraw/zinc/75/47/42/1348754742.db2.gz FNCCHNROFPHJQQ-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](CC3CCC(C)(C)CC3)CC2)C1 ZINC001052933770 1348754746 /nfs/dbraw/zinc/75/47/46/1348754746.db2.gz FNCCHNROFPHJQQ-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CC3CCC(C)(C)CC3)CC2)C1 ZINC001052933770 1348754749 /nfs/dbraw/zinc/75/47/49/1348754749.db2.gz FNCCHNROFPHJQQ-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052955408 1348769420 /nfs/dbraw/zinc/76/94/20/1348769420.db2.gz FMZMCWWMKAKFTI-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001052955408 1348769421 /nfs/dbraw/zinc/76/94/21/1348769421.db2.gz FMZMCWWMKAKFTI-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001052955408 1348769424 /nfs/dbraw/zinc/76/94/24/1348769424.db2.gz FMZMCWWMKAKFTI-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052955272 1348769697 /nfs/dbraw/zinc/76/96/97/1348769697.db2.gz BTNCCLACBZZSPK-IEBWSBKVSA-N 2 1 345.531 3.379 20 0 EGADMP C/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001052990033 1348790416 /nfs/dbraw/zinc/79/04/16/1348790416.db2.gz IMZJVQQJOUTVIH-WJHBCWJKSA-N 2 1 347.547 3.138 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053042403 1348844048 /nfs/dbraw/zinc/84/40/48/1348844048.db2.gz PSPVPDIRDZFCMD-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053107358 1348946392 /nfs/dbraw/zinc/94/63/92/1348946392.db2.gz FWKLYXCQSKMHDR-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001054159467 1349161024 /nfs/dbraw/zinc/16/10/24/1349161024.db2.gz VVCSXDLTBCLBBQ-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159467 1349161026 /nfs/dbraw/zinc/16/10/26/1349161026.db2.gz VVCSXDLTBCLBBQ-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159467 1349161029 /nfs/dbraw/zinc/16/10/29/1349161029.db2.gz VVCSXDLTBCLBBQ-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@]3(CC[NH+](CC(C)C)C3)C2)C1 ZINC001054182932 1349185837 /nfs/dbraw/zinc/18/58/37/1349185837.db2.gz UOIVWNGJNNVRKX-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[C@]3(CC[N@H+](CC(C)C)C3)C2)C1 ZINC001054182932 1349185838 /nfs/dbraw/zinc/18/58/38/1349185838.db2.gz UOIVWNGJNNVRKX-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[C@]3(CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001054182932 1349185842 /nfs/dbraw/zinc/18/58/42/1349185842.db2.gz UOIVWNGJNNVRKX-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054199082 1349201741 /nfs/dbraw/zinc/20/17/41/1349201741.db2.gz MRLOTAKHFYAFEW-AZUAARDMSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[NH+](CC=C(C)C)C2)C1 ZINC001054244349 1349237757 /nfs/dbraw/zinc/23/77/57/1349237757.db2.gz DHHZVMJGCYPHGN-CTNGQTDRSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC=C(C)C)C2)C1 ZINC001054244349 1349237759 /nfs/dbraw/zinc/23/77/59/1349237759.db2.gz DHHZVMJGCYPHGN-CTNGQTDRSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC=C(C)C)C2)C1 ZINC001054244349 1349237762 /nfs/dbraw/zinc/23/77/62/1349237762.db2.gz DHHZVMJGCYPHGN-CTNGQTDRSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001054740571 1349451117 /nfs/dbraw/zinc/45/11/17/1349451117.db2.gz WHIQAJNDNAAFQW-LPHOPBHVSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001080318489 1357572778 /nfs/dbraw/zinc/57/27/78/1357572778.db2.gz ULOBELSTMKFAOW-NSISKUIASA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1C[NH+](CC2CCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001080318489 1357572785 /nfs/dbraw/zinc/57/27/85/1357572785.db2.gz ULOBELSTMKFAOW-NSISKUIASA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1C[NH+](CC2CCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001080318489 1357572789 /nfs/dbraw/zinc/57/27/89/1357572789.db2.gz ULOBELSTMKFAOW-NSISKUIASA-N 2 1 347.547 3.020 20 0 EGADMP Cc1cc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(Cl)cc1Cl ZINC001235038353 1376837389 /nfs/dbraw/zinc/83/73/89/1376837389.db2.gz HAQSOVGWYYODRP-MLGOLLRUSA-N 2 1 329.271 3.112 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CC(C)(C)C2)C[C@H]1C ZINC001080556998 1357676837 /nfs/dbraw/zinc/67/68/37/1357676837.db2.gz AZMKJCVLVGVDCS-BHIYHBOVSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001080556998 1357676842 /nfs/dbraw/zinc/67/68/42/1357676842.db2.gz AZMKJCVLVGVDCS-BHIYHBOVSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001080556998 1357676844 /nfs/dbraw/zinc/67/68/44/1357676844.db2.gz AZMKJCVLVGVDCS-BHIYHBOVSA-N 2 1 349.563 3.122 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCC(C)(C)C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085985183 1358937042 /nfs/dbraw/zinc/93/70/42/1358937042.db2.gz VJBVCFDQRLJIOS-IBGZPJMESA-N 2 1 345.531 3.331 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[N@@H+]1CCC1CC1 ZINC001071546955 1354758804 /nfs/dbraw/zinc/75/88/04/1354758804.db2.gz PFSAPAWDLMZTKU-RHSMWYFYSA-N 2 1 349.544 3.193 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[N@H+]1CCC1CC1 ZINC001071546955 1354758806 /nfs/dbraw/zinc/75/88/06/1354758806.db2.gz PFSAPAWDLMZTKU-RHSMWYFYSA-N 2 1 349.544 3.193 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CC1CCCCC1 ZINC001071735335 1354887131 /nfs/dbraw/zinc/88/71/31/1354887131.db2.gz KNISQLFONWMKFL-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CCC(C)(C)C ZINC001071739325 1354888905 /nfs/dbraw/zinc/88/89/05/1354888905.db2.gz QVNIWEQKLTUWLC-IRXDYDNUSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CC1=CCCCC1 ZINC001071738960 1354889050 /nfs/dbraw/zinc/88/90/50/1354889050.db2.gz LPTDLXLRGLRTRW-IEBWSBKVSA-N 2 1 347.547 3.330 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001071768900 1354914828 /nfs/dbraw/zinc/91/48/28/1354914828.db2.gz FYOMAKQKLWUQSC-MAUKXSAKSA-N 2 1 349.519 3.360 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001071768900 1354914834 /nfs/dbraw/zinc/91/48/34/1354914834.db2.gz FYOMAKQKLWUQSC-MAUKXSAKSA-N 2 1 349.519 3.360 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[N@@H+]1CC1CCCC1 ZINC001071769577 1354916350 /nfs/dbraw/zinc/91/63/50/1354916350.db2.gz UDWKDPBMFVIJCP-QAPCUYQASA-N 2 1 347.503 3.114 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[N@H+]1CC1CCCC1 ZINC001071769577 1354916353 /nfs/dbraw/zinc/91/63/53/1354916353.db2.gz UDWKDPBMFVIJCP-QAPCUYQASA-N 2 1 347.503 3.114 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CCC1=CCCCC1 ZINC001071796011 1354941601 /nfs/dbraw/zinc/94/16/01/1354941601.db2.gz PERCVSRLTFMVOT-PXNSSMCTSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CCCC1CCC1 ZINC001071871726 1354997281 /nfs/dbraw/zinc/99/72/81/1354997281.db2.gz JYAYAUNSHJSTFV-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CC1=CCCCC1 ZINC001071873266 1354998313 /nfs/dbraw/zinc/99/83/13/1354998313.db2.gz UDTIKTHOGOMWCG-YLJYHZDGSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CCC1CCCC1 ZINC001071872665 1354998641 /nfs/dbraw/zinc/99/86/41/1354998641.db2.gz PJRPVIBETCACGA-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072096361 1355127734 /nfs/dbraw/zinc/12/77/34/1355127734.db2.gz YBWBHMWXDZSQBN-XLIONFOSSA-N 2 1 343.515 3.297 20 0 EGADMP CC(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCCC1CCCC1)C2)[NH+](C)C ZINC001072955519 1355520424 /nfs/dbraw/zinc/52/04/24/1355520424.db2.gz NTTRBLYTLTVXMP-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073126119 1355610382 /nfs/dbraw/zinc/61/03/82/1355610382.db2.gz WQDDLEVTZZAGFB-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@@H](C)CC(C)C)C1 ZINC001183228493 1387282693 /nfs/dbraw/zinc/28/26/93/1387282693.db2.gz JFPJGMAKTIIBIG-NLWGTHIKSA-N 2 1 339.568 3.085 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)C(C)C ZINC001074015642 1356036145 /nfs/dbraw/zinc/03/61/45/1356036145.db2.gz IFNKTJGEJQYYKD-IAGOWNOFSA-N 2 1 334.508 3.118 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)C(C)C ZINC001074015642 1356036148 /nfs/dbraw/zinc/03/61/48/1356036148.db2.gz IFNKTJGEJQYYKD-IAGOWNOFSA-N 2 1 334.508 3.118 20 0 EGADMP C[N@@H+](CC1CCC1)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001074032654 1356045466 /nfs/dbraw/zinc/04/54/66/1356045466.db2.gz YVWWHQYQPSJJGZ-GOSISDBHSA-N 2 1 340.471 3.061 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001074053465 1356057558 /nfs/dbraw/zinc/05/75/58/1356057558.db2.gz TZMCNQVVRSINHZ-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001074053465 1356057561 /nfs/dbraw/zinc/05/75/61/1356057561.db2.gz TZMCNQVVRSINHZ-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001074053465 1356057565 /nfs/dbraw/zinc/05/75/65/1356057565.db2.gz TZMCNQVVRSINHZ-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458913 1356391740 /nfs/dbraw/zinc/39/17/40/1356391740.db2.gz SPIKJFUIFYAPNV-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458913 1356391742 /nfs/dbraw/zinc/39/17/42/1356391742.db2.gz SPIKJFUIFYAPNV-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458913 1356391746 /nfs/dbraw/zinc/39/17/46/1356391746.db2.gz SPIKJFUIFYAPNV-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+](CC)CC2)CC1 ZINC001075461968 1356396226 /nfs/dbraw/zinc/39/62/26/1356396226.db2.gz XTXFYBJPBZIEIF-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+](CC)CC2)CC1 ZINC001075461968 1356396231 /nfs/dbraw/zinc/39/62/31/1356396231.db2.gz XTXFYBJPBZIEIF-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](CC)CC2)CC1 ZINC001075461968 1356396236 /nfs/dbraw/zinc/39/62/36/1356396236.db2.gz XTXFYBJPBZIEIF-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCC2)CC[N@H+]1C ZINC001097718376 1363108113 /nfs/dbraw/zinc/10/81/13/1363108113.db2.gz HZECTWDAQKXRMK-FLNBYBTLSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCC2)CC[NH+]1C ZINC001097718376 1363108116 /nfs/dbraw/zinc/10/81/16/1363108116.db2.gz HZECTWDAQKXRMK-FLNBYBTLSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCC2)CC[NH+]1C ZINC001097718376 1363108117 /nfs/dbraw/zinc/10/81/17/1363108117.db2.gz HZECTWDAQKXRMK-FLNBYBTLSA-N 2 1 347.547 3.019 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1=CCCCC1 ZINC001099315871 1363745717 /nfs/dbraw/zinc/74/57/17/1363745717.db2.gz IXUIHEGQRBJULR-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1=CCCCC1 ZINC001099315871 1363745722 /nfs/dbraw/zinc/74/57/22/1363745722.db2.gz IXUIHEGQRBJULR-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1=CCCCC1 ZINC001099315871 1363745726 /nfs/dbraw/zinc/74/57/26/1363745726.db2.gz IXUIHEGQRBJULR-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001183517290 1387316105 /nfs/dbraw/zinc/31/61/05/1387316105.db2.gz YWTOAWSLSYZYMD-BWPKTWLJSA-N 2 1 349.563 3.291 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938736 1358352230 /nfs/dbraw/zinc/35/22/30/1358352230.db2.gz CRFOQDUTMRLFFB-AABGKKOBSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084938736 1358352232 /nfs/dbraw/zinc/35/22/32/1358352232.db2.gz CRFOQDUTMRLFFB-AABGKKOBSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084938736 1358352235 /nfs/dbraw/zinc/35/22/35/1358352235.db2.gz CRFOQDUTMRLFFB-AABGKKOBSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCC3=CCCCC3)[C@H]2C1)[NH+](C)C ZINC001084970622 1358356465 /nfs/dbraw/zinc/35/64/65/1358356465.db2.gz NGVQFKZZAIVIOL-AQNXPRMDSA-N 2 1 347.547 3.140 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001085432884 1358498490 /nfs/dbraw/zinc/49/84/90/1358498490.db2.gz UVDWCGDQLNDIGS-AQNXPRMDSA-N 2 1 347.547 3.378 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001085593573 1358620362 /nfs/dbraw/zinc/62/03/62/1358620362.db2.gz MITYCVHQGLFQLY-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001085593573 1358620365 /nfs/dbraw/zinc/62/03/65/1358620365.db2.gz MITYCVHQGLFQLY-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCCC1 ZINC001085593573 1358620368 /nfs/dbraw/zinc/62/03/68/1358620368.db2.gz MITYCVHQGLFQLY-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCC2=CCCCC2)CC[N@H+]1C ZINC001085604037 1358627140 /nfs/dbraw/zinc/62/71/40/1358627140.db2.gz VQUQCUWTNPGTNQ-SLFFLAALSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC2=CCCCC2)CC[NH+]1C ZINC001085604037 1358627144 /nfs/dbraw/zinc/62/71/44/1358627144.db2.gz VQUQCUWTNPGTNQ-SLFFLAALSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCC2=CCCCC2)CC[NH+]1C ZINC001085604037 1358627148 /nfs/dbraw/zinc/62/71/48/1358627148.db2.gz VQUQCUWTNPGTNQ-SLFFLAALSA-N 2 1 347.547 3.140 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCCC1CCC1)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699931 1358694033 /nfs/dbraw/zinc/69/40/33/1358694033.db2.gz ZOEHAAFVQLSWRW-GOSISDBHSA-N 2 1 340.471 3.061 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCC1CCCC1)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699464 1358694120 /nfs/dbraw/zinc/69/41/20/1358694120.db2.gz OMNQXKYQMQUTPG-SFHVURJKSA-N 2 1 340.471 3.061 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC(CC)CC)C1 ZINC001085779402 1358753599 /nfs/dbraw/zinc/75/35/99/1358753599.db2.gz UWCRZHQEDZTNEG-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC(CC)CC)C1 ZINC001085779402 1358753601 /nfs/dbraw/zinc/75/36/01/1358753601.db2.gz UWCRZHQEDZTNEG-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC(CC)CC)C1 ZINC001085779402 1358753604 /nfs/dbraw/zinc/75/36/04/1358753604.db2.gz UWCRZHQEDZTNEG-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCC1CC1)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085782067 1358756652 /nfs/dbraw/zinc/75/66/52/1358756652.db2.gz MFKBXWBOJJGLGL-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@H]1CC[NH+]1CCC1CC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782067 1358756655 /nfs/dbraw/zinc/75/66/55/1358756655.db2.gz MFKBXWBOJJGLGL-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@H]1CC[NH+]1CCC1CC1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782067 1358756661 /nfs/dbraw/zinc/75/66/61/1358756661.db2.gz MFKBXWBOJJGLGL-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086122387 1359002500 /nfs/dbraw/zinc/00/25/00/1359002500.db2.gz IZIFATPUVXVUOD-PNYFIKQUSA-N 2 1 343.515 3.025 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C[C@H]1O ZINC001183991572 1387379100 /nfs/dbraw/zinc/37/91/00/1387379100.db2.gz LMFSKEWAADVTFZ-QFUCXCTJSA-N 2 1 330.516 3.237 20 0 EGADMP C[C@@H]1C[NH+](C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C[C@H]1O ZINC001183991572 1387379102 /nfs/dbraw/zinc/37/91/02/1387379102.db2.gz LMFSKEWAADVTFZ-QFUCXCTJSA-N 2 1 330.516 3.237 20 0 EGADMP C[C@@H]1C[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1O ZINC001183991572 1387379103 /nfs/dbraw/zinc/37/91/03/1387379103.db2.gz LMFSKEWAADVTFZ-QFUCXCTJSA-N 2 1 330.516 3.237 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001184098944 1387391742 /nfs/dbraw/zinc/39/17/42/1387391742.db2.gz KLZYMZPNZWMSKN-ICSRJNTNSA-N 2 1 343.515 3.156 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC001184098944 1387391748 /nfs/dbraw/zinc/39/17/48/1387391748.db2.gz KLZYMZPNZWMSKN-ICSRJNTNSA-N 2 1 343.515 3.156 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CCCC1CCCC1 ZINC001087523354 1359509585 /nfs/dbraw/zinc/50/95/85/1359509585.db2.gz TUFCRKFZQCONCL-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCCC1CCCC1 ZINC001087523354 1359509590 /nfs/dbraw/zinc/50/95/90/1359509590.db2.gz TUFCRKFZQCONCL-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CCCC1CCCC1 ZINC001087523354 1359509595 /nfs/dbraw/zinc/50/95/95/1359509595.db2.gz TUFCRKFZQCONCL-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@H+]1CC1CCCCC1 ZINC001087570033 1359536325 /nfs/dbraw/zinc/53/63/25/1359536325.db2.gz XZCLWCVLVQOOIU-XUVXKRRUSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CC1CCCCC1 ZINC001087570033 1359536328 /nfs/dbraw/zinc/53/63/28/1359536328.db2.gz XZCLWCVLVQOOIU-XUVXKRRUSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC[NH+]1CC1CCCCC1 ZINC001087570033 1359536329 /nfs/dbraw/zinc/53/63/29/1359536329.db2.gz XZCLWCVLVQOOIU-XUVXKRRUSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1CCCC1CCCC1 ZINC001087577919 1359539045 /nfs/dbraw/zinc/53/90/45/1359539045.db2.gz PZAYUNAYOKXYSZ-RSPOEFSDSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1CCCC1CCCC1 ZINC001087577919 1359539047 /nfs/dbraw/zinc/53/90/47/1359539047.db2.gz PZAYUNAYOKXYSZ-RSPOEFSDSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1CCCC1CCCC1 ZINC001087577919 1359539050 /nfs/dbraw/zinc/53/90/50/1359539050.db2.gz PZAYUNAYOKXYSZ-RSPOEFSDSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1CCC(C)(C)C ZINC001087660222 1359576146 /nfs/dbraw/zinc/57/61/46/1359576146.db2.gz ZSOPNBSNNGQECC-ZWKOTPCHSA-N 2 1 342.487 3.353 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC1=CCCCC1 ZINC001087749892 1359626477 /nfs/dbraw/zinc/62/64/77/1359626477.db2.gz GGEMDUIKQSEDBU-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1CC ZINC001087791097 1359647648 /nfs/dbraw/zinc/64/76/48/1359647648.db2.gz VUKUGKVMSSQAOW-FFZOFVMBSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCC1CCCCC1 ZINC001087799339 1359651125 /nfs/dbraw/zinc/65/11/25/1359651125.db2.gz PCSRMYLNDXYULN-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001087829655 1359668148 /nfs/dbraw/zinc/66/81/48/1359668148.db2.gz PHCXUTQIESBHCZ-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001087829655 1359668151 /nfs/dbraw/zinc/66/81/51/1359668151.db2.gz PHCXUTQIESBHCZ-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1CC=C(C)C ZINC001087839887 1359674232 /nfs/dbraw/zinc/67/42/32/1359674232.db2.gz YTGLXGJVQZWYBI-VQTJNVASSA-N 2 1 343.515 3.297 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@H+]1CC1CC(C)(C)C1 ZINC001087841021 1359675575 /nfs/dbraw/zinc/67/55/75/1359675575.db2.gz ZITPKBBRZOWNEV-OTWHNJEPSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC[NH+]1CC1CC(C)(C)C1 ZINC001087841021 1359675579 /nfs/dbraw/zinc/67/55/79/1359675579.db2.gz ZITPKBBRZOWNEV-OTWHNJEPSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC[NH+]1CC1CC(C)(C)C1 ZINC001087841021 1359675584 /nfs/dbraw/zinc/67/55/84/1359675584.db2.gz ZITPKBBRZOWNEV-OTWHNJEPSA-N 2 1 349.563 3.266 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001088212831 1359797391 /nfs/dbraw/zinc/79/73/91/1359797391.db2.gz SUCJRQOCIRVBBD-QYZOEREBSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001088212831 1359797394 /nfs/dbraw/zinc/79/73/94/1359797394.db2.gz SUCJRQOCIRVBBD-QYZOEREBSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001088212831 1359797397 /nfs/dbraw/zinc/79/73/97/1359797397.db2.gz SUCJRQOCIRVBBD-QYZOEREBSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001088367994 1359852253 /nfs/dbraw/zinc/85/22/53/1359852253.db2.gz YVDCXHTYGOTJOU-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001088382511 1359865432 /nfs/dbraw/zinc/86/54/32/1359865432.db2.gz CZCYEDDPZWLWNY-QUCCMNQESA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1 ZINC001088395151 1359870865 /nfs/dbraw/zinc/87/08/65/1359870865.db2.gz YWZSYKNNPVDFIJ-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001088431061 1359898837 /nfs/dbraw/zinc/89/88/37/1359898837.db2.gz GVXJRJIFOUKVOU-MOPGFXCFSA-N 2 1 331.504 3.059 20 0 EGADMP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@H]2C)cs1 ZINC001088563229 1359973715 /nfs/dbraw/zinc/97/37/15/1359973715.db2.gz ISNGSRWPAIUVRH-BPQIPLTHSA-N 2 1 349.544 3.008 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C(C)C)[C@H]2C)cs1 ZINC001088563229 1359973718 /nfs/dbraw/zinc/97/37/18/1359973718.db2.gz ISNGSRWPAIUVRH-BPQIPLTHSA-N 2 1 349.544 3.008 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C(C)C)[C@H]2C)cs1 ZINC001088563229 1359973721 /nfs/dbraw/zinc/97/37/21/1359973721.db2.gz ISNGSRWPAIUVRH-BPQIPLTHSA-N 2 1 349.544 3.008 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897752 1360096922 /nfs/dbraw/zinc/09/69/22/1360096922.db2.gz VYIWWBTXXJOWGK-AOIWGVFYSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)[C@@H]1C ZINC001088898367 1360097111 /nfs/dbraw/zinc/09/71/11/1360097111.db2.gz BTWTZXKJTIPSAN-NZSAHSFTSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@@H]1C ZINC001088898367 1360097114 /nfs/dbraw/zinc/09/71/14/1360097114.db2.gz BTWTZXKJTIPSAN-NZSAHSFTSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H]1C ZINC001088898367 1360097117 /nfs/dbraw/zinc/09/71/17/1360097117.db2.gz BTWTZXKJTIPSAN-NZSAHSFTSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897645 1360097296 /nfs/dbraw/zinc/09/72/96/1360097296.db2.gz RKTKNCOQGWAJPY-AOIWGVFYSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)[C@@H]1C ZINC001089061023 1360152980 /nfs/dbraw/zinc/15/29/80/1360152980.db2.gz UCODOVHVQRRTSW-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)[C@@H]1C ZINC001089061023 1360152984 /nfs/dbraw/zinc/15/29/84/1360152984.db2.gz UCODOVHVQRRTSW-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)[C@@H]1C ZINC001089061023 1360152988 /nfs/dbraw/zinc/15/29/88/1360152988.db2.gz UCODOVHVQRRTSW-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)[C@@H](C)c1ccccc1)[NH+](C)C ZINC001089192082 1360240914 /nfs/dbraw/zinc/24/09/14/1360240914.db2.gz OWMYZNLLGLFEHF-YSIASYRMSA-N 2 1 345.531 3.401 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001089240210 1360277110 /nfs/dbraw/zinc/27/71/10/1360277110.db2.gz HIXNWSIWGKBDGR-IBGZPJMESA-N 2 1 331.504 3.083 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001089252025 1360283674 /nfs/dbraw/zinc/28/36/74/1360283674.db2.gz IYRRBIXNGWLWDI-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001089252025 1360283678 /nfs/dbraw/zinc/28/36/78/1360283678.db2.gz IYRRBIXNGWLWDI-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001089252025 1360283679 /nfs/dbraw/zinc/28/36/79/1360283679.db2.gz IYRRBIXNGWLWDI-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCC2)CC(C)(C)C1 ZINC001089333635 1360347179 /nfs/dbraw/zinc/34/71/79/1360347179.db2.gz BMDNQPFJSGRHMR-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)CC(C)(C)C1 ZINC001089333635 1360347183 /nfs/dbraw/zinc/34/71/83/1360347183.db2.gz BMDNQPFJSGRHMR-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)CC(C)(C)C1 ZINC001089333635 1360347187 /nfs/dbraw/zinc/34/71/87/1360347187.db2.gz BMDNQPFJSGRHMR-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089509935 1360481500 /nfs/dbraw/zinc/48/15/00/1360481500.db2.gz KUYVXWOCLRSUSE-IBGZPJMESA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089562330 1360509810 /nfs/dbraw/zinc/50/98/10/1360509810.db2.gz BTLDIJFCAKHCPJ-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089639165 1360552549 /nfs/dbraw/zinc/55/25/49/1360552549.db2.gz OYBQBFNEIOGXBW-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001089639165 1360552555 /nfs/dbraw/zinc/55/25/55/1360552555.db2.gz OYBQBFNEIOGXBW-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001089639165 1360552559 /nfs/dbraw/zinc/55/25/59/1360552559.db2.gz OYBQBFNEIOGXBW-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089639390 1360553443 /nfs/dbraw/zinc/55/34/43/1360553443.db2.gz VJEVAXRSFQZVNK-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001089639390 1360553447 /nfs/dbraw/zinc/55/34/47/1360553447.db2.gz VJEVAXRSFQZVNK-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCC1 ZINC001089639390 1360553450 /nfs/dbraw/zinc/55/34/50/1360553450.db2.gz VJEVAXRSFQZVNK-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089646028 1360557802 /nfs/dbraw/zinc/55/78/02/1360557802.db2.gz HBWKCTLCCXFHSI-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001089646028 1360557806 /nfs/dbraw/zinc/55/78/06/1360557806.db2.gz HBWKCTLCCXFHSI-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCC1 ZINC001089646028 1360557808 /nfs/dbraw/zinc/55/78/08/1360557808.db2.gz HBWKCTLCCXFHSI-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089665113 1360575729 /nfs/dbraw/zinc/57/57/29/1360575729.db2.gz UNMTWXQKGVFMKV-KRWDZBQOSA-N 2 1 342.487 3.355 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001091059263 1360987598 /nfs/dbraw/zinc/98/75/98/1360987598.db2.gz JXHZHDBFMZLBQL-SOAGJPPSSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737894 1361201781 /nfs/dbraw/zinc/20/17/81/1361201781.db2.gz QMLDYMZYSZORCE-DYXWJJEUSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737894 1361201784 /nfs/dbraw/zinc/20/17/84/1361201784.db2.gz QMLDYMZYSZORCE-DYXWJJEUSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737894 1361201787 /nfs/dbraw/zinc/20/17/87/1361201787.db2.gz QMLDYMZYSZORCE-DYXWJJEUSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001092602602 1361419934 /nfs/dbraw/zinc/41/99/34/1361419934.db2.gz HDGFEMSYUSTGBH-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C ZINC001092602602 1361419936 /nfs/dbraw/zinc/41/99/36/1361419936.db2.gz HDGFEMSYUSTGBH-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C ZINC001092602602 1361419940 /nfs/dbraw/zinc/41/99/40/1361419940.db2.gz HDGFEMSYUSTGBH-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094433979 1361800382 /nfs/dbraw/zinc/80/03/82/1361800382.db2.gz LZBDQKJHCJXZQR-QKNQBKEWSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094433979 1361800383 /nfs/dbraw/zinc/80/03/83/1361800383.db2.gz LZBDQKJHCJXZQR-QKNQBKEWSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094433979 1361800386 /nfs/dbraw/zinc/80/03/86/1361800386.db2.gz LZBDQKJHCJXZQR-QKNQBKEWSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094528967 1361845782 /nfs/dbraw/zinc/84/57/82/1361845782.db2.gz DPSJFZUNALZYGJ-NLWGTHIKSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094528967 1361845786 /nfs/dbraw/zinc/84/57/86/1361845786.db2.gz DPSJFZUNALZYGJ-NLWGTHIKSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094528967 1361845787 /nfs/dbraw/zinc/84/57/87/1361845787.db2.gz DPSJFZUNALZYGJ-NLWGTHIKSA-N 2 1 335.536 3.020 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCC2)C1 ZINC001096022474 1362338055 /nfs/dbraw/zinc/33/80/55/1362338055.db2.gz SOWPQPMOTLCRTA-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCC2)C1 ZINC001096022474 1362338058 /nfs/dbraw/zinc/33/80/58/1362338058.db2.gz SOWPQPMOTLCRTA-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001097974216 1363185446 /nfs/dbraw/zinc/18/54/46/1363185446.db2.gz BXTQHCJNASLONP-ZRNYENFQSA-N 2 1 349.563 3.407 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001097974216 1363185447 /nfs/dbraw/zinc/18/54/47/1363185447.db2.gz BXTQHCJNASLONP-ZRNYENFQSA-N 2 1 349.563 3.407 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001097974216 1363185451 /nfs/dbraw/zinc/18/54/51/1363185451.db2.gz BXTQHCJNASLONP-ZRNYENFQSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001097976143 1363185994 /nfs/dbraw/zinc/18/59/94/1363185994.db2.gz WEGOPYAWIJWVHY-AKHDSKFASA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001097976143 1363185996 /nfs/dbraw/zinc/18/59/96/1363185996.db2.gz WEGOPYAWIJWVHY-AKHDSKFASA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001097976143 1363185997 /nfs/dbraw/zinc/18/59/97/1363185997.db2.gz WEGOPYAWIJWVHY-AKHDSKFASA-N 2 1 335.536 3.017 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC1 ZINC001098191513 1363250372 /nfs/dbraw/zinc/25/03/72/1363250372.db2.gz IXKDOTGZHLNMLU-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1 ZINC001098191513 1363250376 /nfs/dbraw/zinc/25/03/76/1363250376.db2.gz IXKDOTGZHLNMLU-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001098191513 1363250379 /nfs/dbraw/zinc/25/03/79/1363250379.db2.gz IXKDOTGZHLNMLU-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001098461815 1363332324 /nfs/dbraw/zinc/33/23/24/1363332324.db2.gz QIGCYZZDXIYFSG-ZRNYENFQSA-N 2 1 345.531 3.083 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001098461815 1363332327 /nfs/dbraw/zinc/33/23/27/1363332327.db2.gz QIGCYZZDXIYFSG-ZRNYENFQSA-N 2 1 345.531 3.083 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001098461815 1363332329 /nfs/dbraw/zinc/33/23/29/1363332329.db2.gz QIGCYZZDXIYFSG-ZRNYENFQSA-N 2 1 345.531 3.083 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCC(C)(C)C)C2 ZINC001098835457 1363487324 /nfs/dbraw/zinc/48/73/24/1363487324.db2.gz UZWCXKABUVXFLA-WFXMLNOXSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CCC(C)(C)C)C2 ZINC001098835457 1363487325 /nfs/dbraw/zinc/48/73/25/1363487325.db2.gz UZWCXKABUVXFLA-WFXMLNOXSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC(C)(C)C)C2 ZINC001098835457 1363487327 /nfs/dbraw/zinc/48/73/27/1363487327.db2.gz UZWCXKABUVXFLA-WFXMLNOXSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCC(C)(C)C)C2 ZINC001098835456 1363487608 /nfs/dbraw/zinc/48/76/08/1363487608.db2.gz UZWCXKABUVXFLA-UEXGIBASSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CCC(C)(C)C)C2 ZINC001098835456 1363487609 /nfs/dbraw/zinc/48/76/09/1363487609.db2.gz UZWCXKABUVXFLA-UEXGIBASSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC(C)(C)C)C2 ZINC001098835456 1363487611 /nfs/dbraw/zinc/48/76/11/1363487611.db2.gz UZWCXKABUVXFLA-UEXGIBASSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCC(C)(C)C)C3)CC[N@H+]1C ZINC001098846643 1363490011 /nfs/dbraw/zinc/49/00/11/1363490011.db2.gz PCJFUMQPXCWSFE-UGNRZPKXSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCC(C)(C)C)C3)CC[NH+]1C ZINC001098846643 1363490013 /nfs/dbraw/zinc/49/00/13/1363490013.db2.gz PCJFUMQPXCWSFE-UGNRZPKXSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCC(C)(C)C)C3)CC[NH+]1C ZINC001098846643 1363490016 /nfs/dbraw/zinc/49/00/16/1363490016.db2.gz PCJFUMQPXCWSFE-UGNRZPKXSA-N 2 1 349.563 3.124 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001098976533 1363551853 /nfs/dbraw/zinc/55/18/53/1363551853.db2.gz UZCGEMNRBOSTEE-DFOOCIKTSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001098976533 1363551866 /nfs/dbraw/zinc/55/18/66/1363551866.db2.gz UZCGEMNRBOSTEE-DFOOCIKTSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001098976533 1363551870 /nfs/dbraw/zinc/55/18/70/1363551870.db2.gz UZCGEMNRBOSTEE-DFOOCIKTSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC=C(C)C)C3)C1 ZINC001098990931 1363560274 /nfs/dbraw/zinc/56/02/74/1363560274.db2.gz JZENEFJJORLIPG-DYXWJJEUSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC=C(C)C)C3)C1 ZINC001098990931 1363560276 /nfs/dbraw/zinc/56/02/76/1363560276.db2.gz JZENEFJJORLIPG-DYXWJJEUSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC=C(C)C)C3)C1 ZINC001098990931 1363560278 /nfs/dbraw/zinc/56/02/78/1363560278.db2.gz JZENEFJJORLIPG-DYXWJJEUSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001099101204 1363622457 /nfs/dbraw/zinc/62/24/57/1363622457.db2.gz NGRSRIGNYQHFCM-FPOVZHCZSA-N 2 1 349.563 3.124 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001099116945 1363633382 /nfs/dbraw/zinc/63/33/82/1363633382.db2.gz XXLYCSXZVJDJMQ-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001099116945 1363633385 /nfs/dbraw/zinc/63/33/85/1363633385.db2.gz XXLYCSXZVJDJMQ-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCC1 ZINC001099116945 1363633387 /nfs/dbraw/zinc/63/33/87/1363633387.db2.gz XXLYCSXZVJDJMQ-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC[C@@H](C)F ZINC001099131298 1363643570 /nfs/dbraw/zinc/64/35/70/1363643570.db2.gz ZQECGRMTMQCZGV-CVEARBPZSA-N 2 1 343.531 3.072 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC[C@@H](C)F ZINC001099131298 1363643571 /nfs/dbraw/zinc/64/35/71/1363643571.db2.gz ZQECGRMTMQCZGV-CVEARBPZSA-N 2 1 343.531 3.072 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC[C@@H](C)F ZINC001099131298 1363643576 /nfs/dbraw/zinc/64/35/76/1363643576.db2.gz ZQECGRMTMQCZGV-CVEARBPZSA-N 2 1 343.531 3.072 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001099171832 1363670248 /nfs/dbraw/zinc/67/02/48/1363670248.db2.gz UZCGEMNRBOSTEE-PLQXZHKYSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001099171832 1363670250 /nfs/dbraw/zinc/67/02/50/1363670250.db2.gz UZCGEMNRBOSTEE-PLQXZHKYSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001099171832 1363670252 /nfs/dbraw/zinc/67/02/52/1363670252.db2.gz UZCGEMNRBOSTEE-PLQXZHKYSA-N 2 1 335.536 3.044 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC2CCCC2)CC1 ZINC001099194192 1363685146 /nfs/dbraw/zinc/68/51/46/1363685146.db2.gz LKSGDZJTHMJLCE-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC1CCCC1 ZINC001099213680 1363694987 /nfs/dbraw/zinc/69/49/87/1363694987.db2.gz FWIMVDCVWLCFSX-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099241315 1363709965 /nfs/dbraw/zinc/70/99/65/1363709965.db2.gz YLXIFUPEWFRFHQ-UIVAWZFMSA-N 2 1 337.552 3.290 20 0 EGADMP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CCC2CC2)CC1 ZINC001099258924 1363720407 /nfs/dbraw/zinc/72/04/07/1363720407.db2.gz VXVKBYWOADSLIU-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001099269579 1363724695 /nfs/dbraw/zinc/72/46/95/1363724695.db2.gz AURXWPUEFQUUMQ-ROUUACIJSA-N 2 1 339.568 3.370 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001099296432 1363736709 /nfs/dbraw/zinc/73/67/09/1363736709.db2.gz AVUKFKXJZPUVQF-GIFJBRJJSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001099296432 1363736711 /nfs/dbraw/zinc/73/67/11/1363736711.db2.gz AVUKFKXJZPUVQF-GIFJBRJJSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001099296432 1363736713 /nfs/dbraw/zinc/73/67/13/1363736713.db2.gz AVUKFKXJZPUVQF-GIFJBRJJSA-N 2 1 337.552 3.291 20 0 EGADMP CC[C@H](C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1cncn1C ZINC001099324515 1363751321 /nfs/dbraw/zinc/75/13/21/1363751321.db2.gz NKXCXBHJKRRSJW-FUHWJXTLSA-N 2 1 348.535 3.006 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001100319327 1364079070 /nfs/dbraw/zinc/07/90/70/1364079070.db2.gz HRKCZMNRRDNQEE-RFEKHPBVSA-N 2 1 335.536 3.090 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001100418615 1364108535 /nfs/dbraw/zinc/10/85/35/1364108535.db2.gz CAMCQXKLKYOMOC-MHJFOBGBSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2CC([NH2+]CCCC(C)C)C2)C1 ZINC001100599137 1364183002 /nfs/dbraw/zinc/18/30/02/1364183002.db2.gz KYLFNSGKQVWQHP-XBMUEBEBSA-N 2 1 337.552 3.029 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001100599444 1364183600 /nfs/dbraw/zinc/18/36/00/1364183600.db2.gz WQWFTQUAUSFKET-IVSRKEGNSA-N 2 1 349.563 3.339 20 0 EGADMP CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001100601968 1364184506 /nfs/dbraw/zinc/18/45/06/1364184506.db2.gz MJBIGZIUTHNGEZ-FAFZWHIHSA-N 2 1 335.536 3.068 20 0 EGADMP CCC(CC)C[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001100729337 1364238065 /nfs/dbraw/zinc/23/80/65/1364238065.db2.gz AZZAXEVYQWISAK-UHFFFAOYSA-N 2 1 348.535 3.317 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC1CC([NH2+]CC2CCCC2)C1 ZINC001100729349 1364238245 /nfs/dbraw/zinc/23/82/45/1364238245.db2.gz BICHXOGKTCECFH-UHFFFAOYSA-N 2 1 346.519 3.071 20 0 EGADMP CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001100848213 1364289952 /nfs/dbraw/zinc/28/99/52/1364289952.db2.gz CDMKWFWMPJBITQ-TYOHAJEMSA-N 2 1 349.563 3.482 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001100898637 1364320678 /nfs/dbraw/zinc/32/06/78/1364320678.db2.gz SFBVDKHCDVRXMO-VIQWUECVSA-N 2 1 345.531 3.272 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1)c1ccccc1 ZINC001101034888 1364383265 /nfs/dbraw/zinc/38/32/65/1364383265.db2.gz OVBAUTXMZLCMSM-KVZIAJEVSA-N 2 1 345.531 3.210 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101361983 1364527779 /nfs/dbraw/zinc/52/77/79/1364527779.db2.gz NLSYDCUKOBRKEN-HBFSDRIKSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC3CCC3)C[C@@]2(C)C1 ZINC001101395682 1364544108 /nfs/dbraw/zinc/54/41/08/1364544108.db2.gz IUOKRTZMPSXNHX-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC3CCC3)C[C@@]2(C)C1 ZINC001101395682 1364544111 /nfs/dbraw/zinc/54/41/11/1364544111.db2.gz IUOKRTZMPSXNHX-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC3CCC3)C[C@@]2(C)C1 ZINC001101395682 1364544116 /nfs/dbraw/zinc/54/41/16/1364544116.db2.gz IUOKRTZMPSXNHX-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464457 1364573044 /nfs/dbraw/zinc/57/30/44/1364573044.db2.gz JNGLLPAHFFQSLR-ZVDOUQERSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001102104163 1364858812 /nfs/dbraw/zinc/85/88/12/1364858812.db2.gz IOZVRIJDOISCLE-RCCFBDPRSA-N 2 1 339.568 3.083 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001102104163 1364858814 /nfs/dbraw/zinc/85/88/14/1364858814.db2.gz IOZVRIJDOISCLE-RCCFBDPRSA-N 2 1 339.568 3.083 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001102104163 1364858817 /nfs/dbraw/zinc/85/88/17/1364858817.db2.gz IOZVRIJDOISCLE-RCCFBDPRSA-N 2 1 339.568 3.083 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC001102190998 1364924636 /nfs/dbraw/zinc/92/46/36/1364924636.db2.gz LOXIPSIFCCMIDI-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)c2ccccc2C)C[C@H]1C ZINC001102475419 1365076198 /nfs/dbraw/zinc/07/61/98/1365076198.db2.gz NQDZSWJQAIZCMQ-GUDVDZBRSA-N 2 1 345.531 3.082 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102781783 1365215840 /nfs/dbraw/zinc/21/58/40/1365215840.db2.gz BRBBAUQPFGRSRN-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001102781783 1365215844 /nfs/dbraw/zinc/21/58/44/1365215844.db2.gz BRBBAUQPFGRSRN-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001102781783 1365215846 /nfs/dbraw/zinc/21/58/46/1365215846.db2.gz BRBBAUQPFGRSRN-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102783181 1365216489 /nfs/dbraw/zinc/21/64/89/1365216489.db2.gz YJJMXEHQKIWKQQ-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001102783181 1365216492 /nfs/dbraw/zinc/21/64/92/1365216492.db2.gz YJJMXEHQKIWKQQ-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001102783181 1365216498 /nfs/dbraw/zinc/21/64/98/1365216498.db2.gz YJJMXEHQKIWKQQ-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001102977219 1365324394 /nfs/dbraw/zinc/32/43/94/1365324394.db2.gz RCBFISHVFKZJTK-VJQBDMSCSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001102977219 1365324398 /nfs/dbraw/zinc/32/43/98/1365324398.db2.gz RCBFISHVFKZJTK-VJQBDMSCSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001102977219 1365324402 /nfs/dbraw/zinc/32/44/02/1365324402.db2.gz RCBFISHVFKZJTK-VJQBDMSCSA-N 2 1 349.563 3.290 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001102987822 1365328527 /nfs/dbraw/zinc/32/85/27/1365328527.db2.gz RPWBBQUFNJWOBD-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090326 1365375978 /nfs/dbraw/zinc/37/59/78/1365375978.db2.gz RKOMXIXQOKIEQQ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC001103090326 1365375982 /nfs/dbraw/zinc/37/59/82/1365375982.db2.gz RKOMXIXQOKIEQQ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001103090326 1365375983 /nfs/dbraw/zinc/37/59/83/1365375983.db2.gz RKOMXIXQOKIEQQ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001103232240 1365446955 /nfs/dbraw/zinc/44/69/55/1365446955.db2.gz CRSHVZAIIXMMOM-BRWVUGGUSA-N 2 1 342.487 3.068 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)c1 ZINC001103398285 1365535757 /nfs/dbraw/zinc/53/57/57/1365535757.db2.gz LKUFAGVMNRJXII-WSTZPKSXSA-N 2 1 345.531 3.082 20 0 EGADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C)[NH+](C)C ZINC001103407626 1365542483 /nfs/dbraw/zinc/54/24/83/1365542483.db2.gz MHQGBOJJNAFJMX-KZNAEPCWSA-N 2 1 339.568 3.083 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103656154 1365706152 /nfs/dbraw/zinc/70/61/52/1365706152.db2.gz WDNWKNLMDUIKFW-IEBWSBKVSA-N 2 1 339.568 3.229 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CCCC1CCCC1 ZINC001104000108 1365867968 /nfs/dbraw/zinc/86/79/68/1365867968.db2.gz VTUSOBIANAZZMU-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001104215080 1365954885 /nfs/dbraw/zinc/95/48/85/1365954885.db2.gz LQIBHWPRKBBCAR-OGEVPIHTSA-N 2 1 349.563 3.147 20 0 EGADMP CCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104290813 1365977788 /nfs/dbraw/zinc/97/77/88/1365977788.db2.gz FBOHWVLVBRGLCX-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001104362683 1365988228 /nfs/dbraw/zinc/98/82/28/1365988228.db2.gz DHSFRPOTFYWTAE-IEBWSBKVSA-N 2 1 349.563 3.291 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001104422142 1366018403 /nfs/dbraw/zinc/01/84/03/1366018403.db2.gz BGVYNIJLAMQBOU-SJLPKXTDSA-N 2 1 348.535 3.092 20 0 EGADMP CC[C@@H](C(=O)N1CCC([C@H]2[N@@H+](CC)CC23CCC3)CC1)[NH+](CC)CC ZINC001105396894 1366445948 /nfs/dbraw/zinc/44/59/48/1366445948.db2.gz YLIROPUBWAZLSP-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001105541454 1366520298 /nfs/dbraw/zinc/52/02/98/1366520298.db2.gz ALUZOKONXKWIPC-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105574967 1366539872 /nfs/dbraw/zinc/53/98/72/1366539872.db2.gz NVXGQGLMMGVKFI-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)CCC1 ZINC001105579745 1366543079 /nfs/dbraw/zinc/54/30/79/1366543079.db2.gz UNPLEYBQFDGZDQ-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106271623 1366640154 /nfs/dbraw/zinc/64/01/54/1366640154.db2.gz IYICACSECOOCSE-VJQBDMSCSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001106349235 1366664153 /nfs/dbraw/zinc/66/41/53/1366664153.db2.gz FOQLBZRHRKWDAE-QZTJIDSGSA-N 2 1 349.563 3.290 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001106665375 1366768585 /nfs/dbraw/zinc/76/85/85/1366768585.db2.gz UMBJRAVLAYWCFT-WSTZPKSXSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436520 1366963138 /nfs/dbraw/zinc/96/31/38/1366963138.db2.gz BFROQUJXUDYBFX-WYTZPYIFSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCCCCC)[C@@H]2C1 ZINC001189454543 1367025970 /nfs/dbraw/zinc/02/59/70/1367025970.db2.gz VPCSXMYEGQRDSY-NPXLJKKNSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001189454543 1367025974 /nfs/dbraw/zinc/02/59/74/1367025974.db2.gz VPCSXMYEGQRDSY-NPXLJKKNSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001189454543 1367025978 /nfs/dbraw/zinc/02/59/78/1367025978.db2.gz VPCSXMYEGQRDSY-NPXLJKKNSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546504 1367037121 /nfs/dbraw/zinc/03/71/21/1367037121.db2.gz FROOHKIHGBPHGU-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546504 1367037125 /nfs/dbraw/zinc/03/71/25/1367037125.db2.gz FROOHKIHGBPHGU-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546504 1367037130 /nfs/dbraw/zinc/03/71/30/1367037130.db2.gz FROOHKIHGBPHGU-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2)C(C)C ZINC001107582235 1367057372 /nfs/dbraw/zinc/05/73/72/1367057372.db2.gz YRAHZHWOHKHSTG-SVFBPWRDSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1)C1CC1 ZINC001109402688 1367105379 /nfs/dbraw/zinc/10/53/79/1367105379.db2.gz YMRNQJPNBNFURG-FYQPLNBISA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+](C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1)C1CC1 ZINC001109405009 1367106083 /nfs/dbraw/zinc/10/60/83/1367106083.db2.gz WKZDBIJZYZXJJJ-FYQPLNBISA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190175394 1367191445 /nfs/dbraw/zinc/19/14/45/1367191445.db2.gz JTZCFWZSRUKGIR-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351388 1367235694 /nfs/dbraw/zinc/23/56/94/1367235694.db2.gz XEWQODHEFZSWCY-XUVXKRRUSA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190351388 1367235700 /nfs/dbraw/zinc/23/57/00/1367235700.db2.gz XEWQODHEFZSWCY-XUVXKRRUSA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190351388 1367235703 /nfs/dbraw/zinc/23/57/03/1367235703.db2.gz XEWQODHEFZSWCY-XUVXKRRUSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001186082210 1387862311 /nfs/dbraw/zinc/86/23/11/1387862311.db2.gz FMUFRAMYZYVGTH-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646156 1367261959 /nfs/dbraw/zinc/26/19/59/1367261959.db2.gz KWEFMVIENQSBDX-SQNIBIBYSA-N 2 1 347.503 3.113 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646156 1367261963 /nfs/dbraw/zinc/26/19/63/1367261963.db2.gz KWEFMVIENQSBDX-SQNIBIBYSA-N 2 1 347.503 3.113 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)c1 ZINC001109674443 1367275450 /nfs/dbraw/zinc/27/54/50/1367275450.db2.gz JMBJHUKVLDDENE-HNJRGHQBSA-N 2 1 343.515 3.038 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001190491400 1367276681 /nfs/dbraw/zinc/27/66/81/1367276681.db2.gz GWBSQWRHIVGXBR-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001190491400 1367276686 /nfs/dbraw/zinc/27/66/86/1367276686.db2.gz GWBSQWRHIVGXBR-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001190491400 1367276688 /nfs/dbraw/zinc/27/66/88/1367276688.db2.gz GWBSQWRHIVGXBR-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001109714289 1367290498 /nfs/dbraw/zinc/29/04/98/1367290498.db2.gz FPUSKJCIOCCAGH-XWSJACJDSA-N 2 1 337.552 3.409 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109719941 1367291914 /nfs/dbraw/zinc/29/19/14/1367291914.db2.gz SEQUMPWVIFARFY-CXLYAGSJSA-N 2 1 347.547 3.186 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001109719941 1367291917 /nfs/dbraw/zinc/29/19/17/1367291917.db2.gz SEQUMPWVIFARFY-CXLYAGSJSA-N 2 1 347.547 3.186 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001109719941 1367291920 /nfs/dbraw/zinc/29/19/20/1367291920.db2.gz SEQUMPWVIFARFY-CXLYAGSJSA-N 2 1 347.547 3.186 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190891205 1367376136 /nfs/dbraw/zinc/37/61/36/1367376136.db2.gz ZSUMJMOEJBOURU-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001190996228 1367397364 /nfs/dbraw/zinc/39/73/64/1367397364.db2.gz BBCCYYMUFMQUPH-PKOBYXMFSA-N 2 1 345.531 3.319 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCC(C)(C)C)C1 ZINC001191082361 1367420249 /nfs/dbraw/zinc/42/02/49/1367420249.db2.gz XITPIBMJZGXLPK-ZWKOTPCHSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001191082361 1367420252 /nfs/dbraw/zinc/42/02/52/1367420252.db2.gz XITPIBMJZGXLPK-ZWKOTPCHSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001191082361 1367420256 /nfs/dbraw/zinc/42/02/56/1367420256.db2.gz XITPIBMJZGXLPK-ZWKOTPCHSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191163704 1367436700 /nfs/dbraw/zinc/43/67/00/1367436700.db2.gz ZTLKNTWYJGEQPK-WMZOPIPTSA-N 2 1 342.487 3.163 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110007011 1367455374 /nfs/dbraw/zinc/45/53/74/1367455374.db2.gz DJVGFYGJDCXQEU-RDGPPVDQSA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCN(CCCc2c[nH+]cn2C)CC1 ZINC001191244874 1367457261 /nfs/dbraw/zinc/45/72/61/1367457261.db2.gz OHTBGFONOPNRHM-HXUWFJFHSA-N 2 1 326.488 3.122 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110111655 1367507203 /nfs/dbraw/zinc/50/72/03/1367507203.db2.gz PNCXKFJTHGAVLQ-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148106 1367526043 /nfs/dbraw/zinc/52/60/43/1367526043.db2.gz JJYBUVXKALAORA-SQNIBIBYSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191550756 1367526429 /nfs/dbraw/zinc/52/64/29/1367526429.db2.gz GRTJUPDEEKUPLS-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CC[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001191550756 1367526435 /nfs/dbraw/zinc/52/64/35/1367526435.db2.gz GRTJUPDEEKUPLS-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CC[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001191550756 1367526438 /nfs/dbraw/zinc/52/64/38/1367526438.db2.gz GRTJUPDEEKUPLS-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001108717886 1367554507 /nfs/dbraw/zinc/55/45/07/1367554507.db2.gz XSRFBKUSWAMMJV-BZSNNMDCSA-N 2 1 337.552 3.122 20 0 EGADMP CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001108764832 1367580710 /nfs/dbraw/zinc/58/07/10/1367580710.db2.gz YATLUTMOMNFADF-BZSNNMDCSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCCCC2)C1)[NH+](CC)CC ZINC001192323045 1367750647 /nfs/dbraw/zinc/75/06/47/1367750647.db2.gz AAIXQHKJDSCAAC-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1)[NH+](CC)CC ZINC001192325590 1367752321 /nfs/dbraw/zinc/75/23/21/1367752321.db2.gz MAYWGDZHOKSSAK-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192654270 1367843696 /nfs/dbraw/zinc/84/36/96/1367843696.db2.gz FINFXNLJXTUDNA-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671553 1367846136 /nfs/dbraw/zinc/84/61/36/1367846136.db2.gz MYZMLKGPONDQFU-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192671553 1367846139 /nfs/dbraw/zinc/84/61/39/1367846139.db2.gz MYZMLKGPONDQFU-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192671553 1367846141 /nfs/dbraw/zinc/84/61/41/1367846141.db2.gz MYZMLKGPONDQFU-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001192906524 1367900767 /nfs/dbraw/zinc/90/07/67/1367900767.db2.gz MJSFOQUJUFFVNU-IBHIWXBSSA-N 2 1 337.552 3.388 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192906524 1367900774 /nfs/dbraw/zinc/90/07/74/1367900774.db2.gz MJSFOQUJUFFVNU-IBHIWXBSSA-N 2 1 337.552 3.388 20 0 EGADMP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192906524 1367900781 /nfs/dbraw/zinc/90/07/81/1367900781.db2.gz MJSFOQUJUFFVNU-IBHIWXBSSA-N 2 1 337.552 3.388 20 0 EGADMP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2=CCCCC2)CCC1 ZINC001110665289 1367906052 /nfs/dbraw/zinc/90/60/52/1367906052.db2.gz QBJIDAVKCDIBCZ-QRVBRYPASA-N 2 1 345.531 3.083 20 0 EGADMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2cc(C)ccc2C)C1 ZINC001192946329 1367909355 /nfs/dbraw/zinc/90/93/55/1367909355.db2.gz AQEXDPBHBKETRX-MOPGFXCFSA-N 2 1 345.531 3.239 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1)[NH+](C)C ZINC001110693922 1367932037 /nfs/dbraw/zinc/93/20/37/1367932037.db2.gz WIZQCDSOGKMFCY-ZRNYENFQSA-N 2 1 349.563 3.265 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CC(C)C ZINC001110738875 1367955096 /nfs/dbraw/zinc/95/50/96/1367955096.db2.gz XWHGTAOSNYKLLI-MLHJIOFPSA-N 2 1 337.552 3.120 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)CC(C)C ZINC001110738875 1367955098 /nfs/dbraw/zinc/95/50/98/1367955098.db2.gz XWHGTAOSNYKLLI-MLHJIOFPSA-N 2 1 337.552 3.120 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CC(C)C ZINC001110738875 1367955103 /nfs/dbraw/zinc/95/51/03/1367955103.db2.gz XWHGTAOSNYKLLI-MLHJIOFPSA-N 2 1 337.552 3.120 20 0 EGADMP CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110748974 1367958625 /nfs/dbraw/zinc/95/86/25/1367958625.db2.gz ZZZYJWRMSSKJRO-KURKYZTESA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001110748974 1367958628 /nfs/dbraw/zinc/95/86/28/1367958628.db2.gz ZZZYJWRMSSKJRO-KURKYZTESA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001110748974 1367958633 /nfs/dbraw/zinc/95/86/33/1367958633.db2.gz ZZZYJWRMSSKJRO-KURKYZTESA-N 2 1 335.536 3.017 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001110753937 1367961655 /nfs/dbraw/zinc/96/16/55/1367961655.db2.gz AYYBKZCNQCAEET-AKHDSKFASA-N 2 1 335.536 3.019 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001110753937 1367961659 /nfs/dbraw/zinc/96/16/59/1367961659.db2.gz AYYBKZCNQCAEET-AKHDSKFASA-N 2 1 335.536 3.019 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001110753937 1367961672 /nfs/dbraw/zinc/96/16/72/1367961672.db2.gz AYYBKZCNQCAEET-AKHDSKFASA-N 2 1 335.536 3.019 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001110765710 1367967650 /nfs/dbraw/zinc/96/76/50/1367967650.db2.gz MTAWPKJSNTYACR-KSULIHCOSA-N 2 1 345.531 3.083 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2C(C)C)C1 ZINC001193279970 1367988476 /nfs/dbraw/zinc/98/84/76/1367988476.db2.gz RXJHSYUXRDAARJ-IBGZPJMESA-N 2 1 345.531 3.185 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C(C)C)C1 ZINC001193279970 1367988478 /nfs/dbraw/zinc/98/84/78/1367988478.db2.gz RXJHSYUXRDAARJ-IBGZPJMESA-N 2 1 345.531 3.185 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C(C)C)C1 ZINC001193279970 1367988484 /nfs/dbraw/zinc/98/84/84/1367988484.db2.gz RXJHSYUXRDAARJ-IBGZPJMESA-N 2 1 345.531 3.185 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383079 1368015864 /nfs/dbraw/zinc/01/58/64/1368015864.db2.gz PJWRLDNEQOMCSH-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC001193423826 1368024983 /nfs/dbraw/zinc/02/49/83/1368024983.db2.gz GTUPGBKKOUCCMO-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@@H+](C)CC(C)C)C1 ZINC001193425137 1368026630 /nfs/dbraw/zinc/02/66/30/1368026630.db2.gz TZBXEMVTGUJWQF-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862564 1368041880 /nfs/dbraw/zinc/04/18/80/1368041880.db2.gz WXIUAKOBBGXBGX-TVFCKZIOSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001193569398 1368063278 /nfs/dbraw/zinc/06/32/78/1368063278.db2.gz BMWFHWGKBJOTNU-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001193610022 1368072957 /nfs/dbraw/zinc/07/29/57/1368072957.db2.gz LCIAZLSZPVCOPR-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001193610022 1368072962 /nfs/dbraw/zinc/07/29/62/1368072962.db2.gz LCIAZLSZPVCOPR-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001193610022 1368072969 /nfs/dbraw/zinc/07/29/69/1368072969.db2.gz LCIAZLSZPVCOPR-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001193610018 1368073207 /nfs/dbraw/zinc/07/32/07/1368073207.db2.gz LCIAZLSZPVCOPR-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2ccccc2)C1 ZINC001193610018 1368073212 /nfs/dbraw/zinc/07/32/12/1368073212.db2.gz LCIAZLSZPVCOPR-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2ccccc2)C1 ZINC001193610018 1368073217 /nfs/dbraw/zinc/07/32/17/1368073217.db2.gz LCIAZLSZPVCOPR-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948642 1368115742 /nfs/dbraw/zinc/11/57/42/1368115742.db2.gz GSUUVSAJIWYVNT-UVOQLLHRSA-N 2 1 345.487 3.033 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948642 1368115744 /nfs/dbraw/zinc/11/57/44/1368115744.db2.gz GSUUVSAJIWYVNT-UVOQLLHRSA-N 2 1 345.487 3.033 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164281 1368174488 /nfs/dbraw/zinc/17/44/88/1368174488.db2.gz RDDVVULRSWWCEH-MUYVORBLSA-N 2 1 349.563 3.431 20 0 EGADMP C[N@@H+](Cc1ccsc1)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194079319 1368179404 /nfs/dbraw/zinc/17/94/04/1368179404.db2.gz BHGZQZQEWLLCDF-SFHVURJKSA-N 2 1 349.544 3.047 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111217066 1368196084 /nfs/dbraw/zinc/19/60/84/1368196084.db2.gz DQMSGNJQFUMFJZ-AQNXPRMDSA-N 2 1 349.563 3.265 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429849 1368259723 /nfs/dbraw/zinc/25/97/23/1368259723.db2.gz NZCJDBANDXNITJ-IBGZPJMESA-N 2 1 337.552 3.366 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001111305475 1368261499 /nfs/dbraw/zinc/26/14/99/1368261499.db2.gz MWNLPEJMDSSTRD-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001111305475 1368261502 /nfs/dbraw/zinc/26/15/02/1368261502.db2.gz MWNLPEJMDSSTRD-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001111305475 1368261509 /nfs/dbraw/zinc/26/15/09/1368261509.db2.gz MWNLPEJMDSSTRD-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)CC1 ZINC001111307709 1368262239 /nfs/dbraw/zinc/26/22/39/1368262239.db2.gz SIVZNOVIJNTTFD-WKXIVMOISA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC(C)CC1 ZINC001111307709 1368262241 /nfs/dbraw/zinc/26/22/41/1368262241.db2.gz SIVZNOVIJNTTFD-WKXIVMOISA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC(C)CC1 ZINC001111307709 1368262245 /nfs/dbraw/zinc/26/22/45/1368262245.db2.gz SIVZNOVIJNTTFD-WKXIVMOISA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001111325432 1368266987 /nfs/dbraw/zinc/26/69/87/1368266987.db2.gz CXEZRNOFDFVQTD-WIRSXHRWSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]13CC[N@H+](C1)CCC3)C2 ZINC001111325432 1368266991 /nfs/dbraw/zinc/26/69/91/1368266991.db2.gz CXEZRNOFDFVQTD-WIRSXHRWSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]13CC[N@@H+](C1)CCC3)C2 ZINC001111325432 1368266994 /nfs/dbraw/zinc/26/69/94/1368266994.db2.gz CXEZRNOFDFVQTD-WIRSXHRWSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)[NH+]1CCCC1 ZINC001111462450 1368311874 /nfs/dbraw/zinc/31/18/74/1368311874.db2.gz XXMCUMNRTJBGET-YSTOQKLRSA-N 2 1 347.547 3.019 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001186404631 1387934344 /nfs/dbraw/zinc/93/43/44/1387934344.db2.gz NORLYCAGBSXWQQ-GOSISDBHSA-N 2 1 325.541 3.269 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(CC)CC)C1 ZINC001186420608 1387939131 /nfs/dbraw/zinc/93/91/31/1387939131.db2.gz PLEUTDUKIZIBHY-GOSISDBHSA-N 2 1 325.541 3.125 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111779002 1368457491 /nfs/dbraw/zinc/45/74/91/1368457491.db2.gz SIIPPLRHWFJBJM-WFXMLNOXSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001111779002 1368457493 /nfs/dbraw/zinc/45/74/93/1368457493.db2.gz SIIPPLRHWFJBJM-WFXMLNOXSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001111779002 1368457495 /nfs/dbraw/zinc/45/74/95/1368457495.db2.gz SIIPPLRHWFJBJM-WFXMLNOXSA-N 2 1 349.563 3.124 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001111835187 1368490122 /nfs/dbraw/zinc/49/01/22/1368490122.db2.gz AXJMODYQMQDTPS-PTDRADOGSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001111835187 1368490125 /nfs/dbraw/zinc/49/01/25/1368490125.db2.gz AXJMODYQMQDTPS-PTDRADOGSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001111835187 1368490128 /nfs/dbraw/zinc/49/01/28/1368490128.db2.gz AXJMODYQMQDTPS-PTDRADOGSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001111835187 1368490130 /nfs/dbraw/zinc/49/01/30/1368490130.db2.gz AXJMODYQMQDTPS-PTDRADOGSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001111851573 1368505641 /nfs/dbraw/zinc/50/56/41/1368505641.db2.gz FIPMDARPOXPHEI-IWFBPKFRSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001111851573 1368505646 /nfs/dbraw/zinc/50/56/46/1368505646.db2.gz FIPMDARPOXPHEI-IWFBPKFRSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001111851573 1368505652 /nfs/dbraw/zinc/50/56/52/1368505652.db2.gz FIPMDARPOXPHEI-IWFBPKFRSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@H]([NH+](C)CCc2ccccc2)C1 ZINC001195902762 1368513671 /nfs/dbraw/zinc/51/36/71/1368513671.db2.gz OPXRZOOMPMMTBS-FCHUYYIVSA-N 2 1 343.559 3.498 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC001195902762 1368513675 /nfs/dbraw/zinc/51/36/75/1368513675.db2.gz OPXRZOOMPMMTBS-FCHUYYIVSA-N 2 1 343.559 3.498 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC001195902762 1368513679 /nfs/dbraw/zinc/51/36/79/1368513679.db2.gz OPXRZOOMPMMTBS-FCHUYYIVSA-N 2 1 343.559 3.498 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1ccccc1)C2 ZINC001111910310 1368551514 /nfs/dbraw/zinc/55/15/14/1368551514.db2.gz SYSYGCTVRGYLLK-LMNJBCLMSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)c1ccccc1)C2 ZINC001111925782 1368563586 /nfs/dbraw/zinc/56/35/86/1368563586.db2.gz JYULRVVEHYNUIJ-LMNJBCLMSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1ccccc1)C2 ZINC001111925782 1368563591 /nfs/dbraw/zinc/56/35/91/1368563591.db2.gz JYULRVVEHYNUIJ-LMNJBCLMSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1ccccc1)C2 ZINC001111925782 1368563593 /nfs/dbraw/zinc/56/35/93/1368563593.db2.gz JYULRVVEHYNUIJ-LMNJBCLMSA-N 2 1 343.515 3.060 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001111939584 1368567359 /nfs/dbraw/zinc/56/73/59/1368567359.db2.gz IKNHLQYFNIISTB-DGICPSGQSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001111939584 1368567362 /nfs/dbraw/zinc/56/73/62/1368567362.db2.gz IKNHLQYFNIISTB-DGICPSGQSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001111939584 1368567365 /nfs/dbraw/zinc/56/73/65/1368567365.db2.gz IKNHLQYFNIISTB-DGICPSGQSA-N 2 1 347.547 3.045 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCCN([C@@H](C)c2ccccc2F)CC1 ZINC001196341114 1368592999 /nfs/dbraw/zinc/59/29/99/1368592999.db2.gz NBZMIPUECYKJEN-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC001196341114 1368593004 /nfs/dbraw/zinc/59/30/04/1368593004.db2.gz NBZMIPUECYKJEN-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+]([C@@H](C)c2ccccc2F)CC1 ZINC001196341114 1368593005 /nfs/dbraw/zinc/59/30/05/1368593005.db2.gz NBZMIPUECYKJEN-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+]([C@@H](C)c2ccccc2F)CC1 ZINC001196341114 1368593008 /nfs/dbraw/zinc/59/30/08/1368593008.db2.gz NBZMIPUECYKJEN-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC001196935384 1368716052 /nfs/dbraw/zinc/71/60/52/1368716052.db2.gz HNRCKKNBMQITQO-SFTDATJTSA-N 2 1 348.506 3.316 20 0 EGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CCCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001196943818 1368717783 /nfs/dbraw/zinc/71/77/83/1368717783.db2.gz SVQDQQNLUYGOLP-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196963761 1368722009 /nfs/dbraw/zinc/72/20/09/1368722009.db2.gz YSWBGGOFZWJHJL-LJQANCHMSA-N 2 1 349.494 3.153 20 0 EGADMP CCCc1ccc(C[N@H+]2CCCN(C(=O)CCC[NH+](C)C)CC2)cc1 ZINC001196970504 1368723664 /nfs/dbraw/zinc/72/36/64/1368723664.db2.gz INRNSBLGCJOYMM-UHFFFAOYSA-N 2 1 345.531 3.015 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001197768454 1368893008 /nfs/dbraw/zinc/89/30/08/1368893008.db2.gz NRXWDUKHSJWQQQ-LJQANCHMSA-N 2 1 337.552 3.366 20 0 EGADMP CCCCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001197768454 1368893011 /nfs/dbraw/zinc/89/30/11/1368893011.db2.gz NRXWDUKHSJWQQQ-LJQANCHMSA-N 2 1 337.552 3.366 20 0 EGADMP CCCCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001197768454 1368893017 /nfs/dbraw/zinc/89/30/17/1368893017.db2.gz NRXWDUKHSJWQQQ-LJQANCHMSA-N 2 1 337.552 3.366 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](CC[C@@H](C)F)CC1 ZINC001197795545 1368899414 /nfs/dbraw/zinc/89/94/14/1368899414.db2.gz XOUWVRZTNQHHEB-GOSISDBHSA-N 2 1 343.531 3.171 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)N1CCC[NH+](CCC2CC2)CC1)c1ccccc1 ZINC001197801750 1368900385 /nfs/dbraw/zinc/90/03/85/1368900385.db2.gz BPCVMEMSPIXTRS-HXUWFJFHSA-N 2 1 343.515 3.014 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[NH+](CCC2CC2)CC1)c1ccccc1 ZINC001197801750 1368900386 /nfs/dbraw/zinc/90/03/86/1368900386.db2.gz BPCVMEMSPIXTRS-HXUWFJFHSA-N 2 1 343.515 3.014 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@H+](CCC2CC2)CC1)c1ccccc1 ZINC001197801750 1368900390 /nfs/dbraw/zinc/90/03/90/1368900390.db2.gz BPCVMEMSPIXTRS-HXUWFJFHSA-N 2 1 343.515 3.014 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](CCC2CC2)CC1)c1ccccc1 ZINC001197801750 1368900394 /nfs/dbraw/zinc/90/03/94/1368900394.db2.gz BPCVMEMSPIXTRS-HXUWFJFHSA-N 2 1 343.515 3.014 20 0 EGADMP CC[C@H](C)C[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197801785 1368901078 /nfs/dbraw/zinc/90/10/78/1368901078.db2.gz CVHPBXFQNSMKIK-ICSRJNTNSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197801785 1368901081 /nfs/dbraw/zinc/90/10/81/1368901081.db2.gz CVHPBXFQNSMKIK-ICSRJNTNSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@H](C)C[NH+]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001197801785 1368901087 /nfs/dbraw/zinc/90/10/87/1368901087.db2.gz CVHPBXFQNSMKIK-ICSRJNTNSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@H](C)C[NH+]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001197801785 1368901090 /nfs/dbraw/zinc/90/10/90/1368901090.db2.gz CVHPBXFQNSMKIK-ICSRJNTNSA-N 2 1 345.531 3.260 20 0 EGADMP CCCCC[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197809628 1368903580 /nfs/dbraw/zinc/90/35/80/1368903580.db2.gz FAMDKEAFCUNROO-FQEVSTJZSA-N 2 1 345.531 3.404 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197809628 1368903584 /nfs/dbraw/zinc/90/35/84/1368903584.db2.gz FAMDKEAFCUNROO-FQEVSTJZSA-N 2 1 345.531 3.404 20 0 EGADMP CCCCC[NH+]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001197809628 1368903590 /nfs/dbraw/zinc/90/35/90/1368903590.db2.gz FAMDKEAFCUNROO-FQEVSTJZSA-N 2 1 345.531 3.404 20 0 EGADMP CCCCC[NH+]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001197809628 1368903593 /nfs/dbraw/zinc/90/35/93/1368903593.db2.gz FAMDKEAFCUNROO-FQEVSTJZSA-N 2 1 345.531 3.404 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197880338 1368918756 /nfs/dbraw/zinc/91/87/56/1368918756.db2.gz XILTXBFPTZGYAT-QGZVFWFLSA-N 2 1 349.494 3.153 20 0 EGADMP CC1(C)CC(C[N@H+]2CCCN(C(=O)CCC[NH+]3CCCCC3)CC2)C1 ZINC001198136248 1368966455 /nfs/dbraw/zinc/96/64/55/1368966455.db2.gz LVKKKAAWAPJMCN-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001198260079 1368991515 /nfs/dbraw/zinc/99/15/15/1368991515.db2.gz WWFMHXMFEYSIPV-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](C[C@H](C)CC(C)C)CC1 ZINC001198260079 1368991518 /nfs/dbraw/zinc/99/15/18/1368991518.db2.gz WWFMHXMFEYSIPV-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](C[C@H](C)CC(C)C)CC1 ZINC001198260079 1368991524 /nfs/dbraw/zinc/99/15/24/1368991524.db2.gz WWFMHXMFEYSIPV-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001201230947 1369501001 /nfs/dbraw/zinc/50/10/01/1369501001.db2.gz YOCGFJQDKZQBQN-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP c1nc2n(c1C[NH+]1CCCCC1)CC[N@H+](CC1CCCCC1)CC2 ZINC001201393448 1369535057 /nfs/dbraw/zinc/53/50/57/1369535057.db2.gz JTRLOLIPHABZKO-UHFFFAOYSA-N 2 1 330.520 3.307 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001201400624 1369536718 /nfs/dbraw/zinc/53/67/18/1369536718.db2.gz TYUCRXPWGZXZPM-PXDRNWIDSA-N 2 1 349.563 3.434 20 0 EGADMP Cc1cc(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1C ZINC001201954880 1369652209 /nfs/dbraw/zinc/65/22/09/1369652209.db2.gz WPPWPRXRXYMBGU-JOCHJYFZSA-N 2 1 338.495 3.468 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([NH2+]CCCC3CCC3)CC2)C1 ZINC001202144873 1369700617 /nfs/dbraw/zinc/70/06/17/1369700617.db2.gz MKCGPYJJMBHEER-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001202756738 1369880518 /nfs/dbraw/zinc/88/05/18/1369880518.db2.gz GBSUXLKJZYEYBA-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CC/C=C\CC[NH2+]C1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001202973152 1369942774 /nfs/dbraw/zinc/94/27/74/1369942774.db2.gz BOEPURWJAKVJBH-VURMDHGXSA-N 2 1 337.552 3.435 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@@H]([NH2+]CCCC(C)C)C12CCC2 ZINC001203101738 1369983231 /nfs/dbraw/zinc/98/32/31/1369983231.db2.gz GBJBHHNVVPUTRF-IAGOWNOFSA-N 2 1 337.552 3.170 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)C)C12CCC2 ZINC001203101741 1369983441 /nfs/dbraw/zinc/98/34/41/1369983441.db2.gz GBJBHHNVVPUTRF-IRXDYDNUSA-N 2 1 337.552 3.170 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203102227 1369983446 /nfs/dbraw/zinc/98/34/46/1369983446.db2.gz HAJLWTXWEMGGPH-LJFOUZCWSA-N 2 1 335.536 3.090 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203102241 1369983564 /nfs/dbraw/zinc/98/35/64/1369983564.db2.gz HDSVVNXOWCIJEP-HZPDHXFCSA-N 2 1 337.552 3.170 20 0 EGADMP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203105014 1369984902 /nfs/dbraw/zinc/98/49/02/1369984902.db2.gz VIFJWKNBQWWYLM-DLBZAZTESA-N 2 1 335.536 3.065 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114623691 1369998725 /nfs/dbraw/zinc/99/87/25/1369998725.db2.gz CWLCJMPEEUMZDX-KXTWHKPSSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001114623691 1369998729 /nfs/dbraw/zinc/99/87/29/1369998729.db2.gz CWLCJMPEEUMZDX-KXTWHKPSSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001114623691 1369998732 /nfs/dbraw/zinc/99/87/32/1369998732.db2.gz CWLCJMPEEUMZDX-KXTWHKPSSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1)[NH+](CC)CC ZINC001325760700 1388042161 /nfs/dbraw/zinc/04/21/61/1388042161.db2.gz GORAECDMMZXINU-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP CCc1[nH]c(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)[nH+]1 ZINC001203248431 1370038775 /nfs/dbraw/zinc/03/87/75/1370038775.db2.gz SGURZZIHUUSPPS-RTBURBONSA-N 2 1 338.499 3.234 20 0 EGADMP CCc1[nH]c(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C)[nH+]1 ZINC001203248431 1370038781 /nfs/dbraw/zinc/03/87/81/1370038781.db2.gz SGURZZIHUUSPPS-RTBURBONSA-N 2 1 338.499 3.234 20 0 EGADMP CCCCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428242 1370121703 /nfs/dbraw/zinc/12/17/03/1370121703.db2.gz XFJXBUVXXACDHY-SJORKVTESA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001203442412 1370128724 /nfs/dbraw/zinc/12/87/24/1370128724.db2.gz KIDCUYWHHGSGDC-SFHVURJKSA-N 2 1 345.531 3.369 20 0 EGADMP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203467341 1370135995 /nfs/dbraw/zinc/13/59/95/1370135995.db2.gz APNIELRFJJMCMH-DLBZAZTESA-N 2 1 346.519 3.070 20 0 EGADMP C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21)[NH+]1CCCCCC1 ZINC001114920831 1370149306 /nfs/dbraw/zinc/14/93/06/1370149306.db2.gz BKOINKFZDNGZGT-YRXWBPOGSA-N 2 1 349.563 3.124 20 0 EGADMP CCOc1ccccc1CN1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001203537216 1370159822 /nfs/dbraw/zinc/15/98/22/1370159822.db2.gz SRCTWXZZTVZECR-OALUTQOASA-N 2 1 337.467 3.044 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203652693 1370203070 /nfs/dbraw/zinc/20/30/70/1370203070.db2.gz WPPHHLDQTJEFIV-SJORKVTESA-N 2 1 337.552 3.172 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc(Cl)c4)C[C@@H]3C2)cn1 ZINC001203799624 1370269805 /nfs/dbraw/zinc/26/98/05/1370269805.db2.gz YBLVAJNNYAKLIC-MSOLQXFVSA-N 2 1 344.890 3.027 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc(Cl)c4)C[C@@H]3C2)cn1 ZINC001203799624 1370269809 /nfs/dbraw/zinc/26/98/09/1370269809.db2.gz YBLVAJNNYAKLIC-MSOLQXFVSA-N 2 1 344.890 3.027 20 0 EGADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc(Cl)c4)C[C@@H]3C2)cn1 ZINC001203799624 1370269811 /nfs/dbraw/zinc/26/98/11/1370269811.db2.gz YBLVAJNNYAKLIC-MSOLQXFVSA-N 2 1 344.890 3.027 20 0 EGADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc(Cl)c4)C[C@@H]3C2)cn1 ZINC001203799624 1370269816 /nfs/dbraw/zinc/26/98/16/1370269816.db2.gz YBLVAJNNYAKLIC-MSOLQXFVSA-N 2 1 344.890 3.027 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC001204267378 1370427101 /nfs/dbraw/zinc/42/71/01/1370427101.db2.gz RMHQHZLNLMJWSX-AZUAARDMSA-N 2 1 332.488 3.018 20 0 EGADMP C[NH+](C)Cc1ccccc1Nc1cccc(CC[NH+]2CCOCC2)c1 ZINC001204380582 1370461589 /nfs/dbraw/zinc/46/15/89/1370461589.db2.gz VZTMVUZJTVXEOD-UHFFFAOYSA-N 2 1 339.483 3.367 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(F)c1C)C2 ZINC001204508868 1370498135 /nfs/dbraw/zinc/49/81/35/1370498135.db2.gz KTOPXWMQFXYEBO-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(F)c1C)C2 ZINC001204508868 1370498139 /nfs/dbraw/zinc/49/81/39/1370498139.db2.gz KTOPXWMQFXYEBO-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(F)c1C)C2 ZINC001204508868 1370498142 /nfs/dbraw/zinc/49/81/42/1370498142.db2.gz KTOPXWMQFXYEBO-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(F)c1C)C2 ZINC001204508868 1370498144 /nfs/dbraw/zinc/49/81/44/1370498144.db2.gz KTOPXWMQFXYEBO-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(F)c1C)C2 ZINC001204508868 1370498147 /nfs/dbraw/zinc/49/81/47/1370498147.db2.gz KTOPXWMQFXYEBO-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)cc(C)c3)CC2)C1 ZINC001204524104 1370502943 /nfs/dbraw/zinc/50/29/43/1370502943.db2.gz HTPCJCLFPNGUML-IBGZPJMESA-N 2 1 344.499 3.153 20 0 EGADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)cc(C)c3)CC2)C1 ZINC001204524104 1370502947 /nfs/dbraw/zinc/50/29/47/1370502947.db2.gz HTPCJCLFPNGUML-IBGZPJMESA-N 2 1 344.499 3.153 20 0 EGADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC001204546236 1370511892 /nfs/dbraw/zinc/51/18/92/1370511892.db2.gz LQXGWOBMAVLFOX-UHFFFAOYSA-N 2 1 342.512 3.415 20 0 EGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC001204546236 1370511894 /nfs/dbraw/zinc/51/18/94/1370511894.db2.gz LQXGWOBMAVLFOX-UHFFFAOYSA-N 2 1 342.512 3.415 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCC(C)(C)C)CCCCC2)CC[N@H+]1C ZINC001115543413 1370540686 /nfs/dbraw/zinc/54/06/86/1370540686.db2.gz GVPFVDKQVNZAOG-IAGOWNOFSA-N 2 1 337.552 3.172 20 0 EGADMP Clc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1-n1cccn1 ZINC001204742355 1370562000 /nfs/dbraw/zinc/56/20/00/1370562000.db2.gz LKDJNNIMKRFAKI-UHFFFAOYSA-N 2 1 344.890 3.491 20 0 EGADMP Oc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(C(F)(F)F)c1 ZINC001204742174 1370562062 /nfs/dbraw/zinc/56/20/62/1370562062.db2.gz JGJDOAJORZCVAG-UHFFFAOYSA-N 2 1 328.378 3.377 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCCCC1 ZINC001115573221 1370576109 /nfs/dbraw/zinc/57/61/09/1370576109.db2.gz NKBWSRRILDQULO-IBGZPJMESA-N 2 1 349.563 3.458 20 0 EGADMP CC/C=C\CC[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCCCC1 ZINC001115574806 1370577916 /nfs/dbraw/zinc/57/79/16/1370577916.db2.gz RFDYRFIMBHZNHG-PLNGDYQASA-N 2 1 335.536 3.236 20 0 EGADMP C[N@@H+](CC(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1)C1CCC1 ZINC001115574650 1370577999 /nfs/dbraw/zinc/57/79/99/1370577999.db2.gz JARYIFCOKFWCNC-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP CC1CC(C[NH2+]C2(CNC(=O)CC[C@H]3CCC[N@H+]3C)CCCCC2)C1 ZINC001115579571 1370583329 /nfs/dbraw/zinc/58/33/29/1370583329.db2.gz UVIICVQGWQYNQM-CTWPCTMYSA-N 2 1 349.563 3.316 20 0 EGADMP CCCCC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579636 1370583849 /nfs/dbraw/zinc/58/38/49/1370583849.db2.gz YFNYRTCQVOJVEY-GOSISDBHSA-N 2 1 337.552 3.460 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC1([NH2+]CCF)CCCCC1 ZINC001115608406 1370607099 /nfs/dbraw/zinc/60/70/99/1370607099.db2.gz LFNLFSLRBSYLDZ-UHFFFAOYSA-N 2 1 341.515 3.018 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115611274 1370610229 /nfs/dbraw/zinc/61/02/29/1370610229.db2.gz APMDNVZNJGJJFM-IBGZPJMESA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115611434 1370610424 /nfs/dbraw/zinc/61/04/24/1370610424.db2.gz HZQQJACQXLWRLP-LJQANCHMSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cc(OCc3ccccc3)ccn2)CC1 ZINC001205280822 1370705077 /nfs/dbraw/zinc/70/50/77/1370705077.db2.gz JRXLJWWXFGYHMC-HXUWFJFHSA-N 2 1 325.456 3.364 20 0 EGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(OCc3ccccc3)ccn2)CC1 ZINC001205280822 1370705078 /nfs/dbraw/zinc/70/50/78/1370705078.db2.gz JRXLJWWXFGYHMC-HXUWFJFHSA-N 2 1 325.456 3.364 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205303285 1370714269 /nfs/dbraw/zinc/71/42/69/1370714269.db2.gz BYKJEHABQICZMH-GJZGRUSLSA-N 2 1 343.471 3.070 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205303285 1370714272 /nfs/dbraw/zinc/71/42/72/1370714272.db2.gz BYKJEHABQICZMH-GJZGRUSLSA-N 2 1 343.471 3.070 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc3ncc(Br)cc3c2)C[C@@H]1C[NH3+] ZINC001205317682 1370719860 /nfs/dbraw/zinc/71/98/60/1370719860.db2.gz PLKWYUNQFHUGAO-WFASDCNBSA-N 2 1 348.288 3.414 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205318839 1370720833 /nfs/dbraw/zinc/72/08/33/1370720833.db2.gz XCQOIVSUFMDAIC-CABCVRRESA-N 2 1 343.471 3.070 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205318839 1370720837 /nfs/dbraw/zinc/72/08/37/1370720837.db2.gz XCQOIVSUFMDAIC-CABCVRRESA-N 2 1 343.471 3.070 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](CCc2cccc(Br)c2)CC1 ZINC001205537542 1370784234 /nfs/dbraw/zinc/78/42/34/1370784234.db2.gz IBWCDYOCWOGYJQ-HNNXBMFYSA-N 2 1 329.257 3.145 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)no2)cc1 ZINC001205546021 1370787220 /nfs/dbraw/zinc/78/72/20/1370787220.db2.gz OZCFQMYDBNRSLZ-GOSISDBHSA-N 2 1 333.407 3.003 20 0 EGADMP Cc1ccc(Br)cc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205570470 1370795103 /nfs/dbraw/zinc/79/51/03/1370795103.db2.gz KJMPRHPEXDJBGO-OAHLLOKOSA-N 2 1 329.257 3.410 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001205570416 1370795584 /nfs/dbraw/zinc/79/55/84/1370795584.db2.gz JUZSMTKJIOAHBC-CQSZACIVSA-N 2 1 338.320 3.377 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(OCc3ccccc3)ccn2)CC1 ZINC001205578437 1370798094 /nfs/dbraw/zinc/79/80/94/1370798094.db2.gz BXKTZOUEPVQFJW-HXUWFJFHSA-N 2 1 343.446 3.314 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2)CC[C@@H]1C[NH3+] ZINC001205618072 1370812619 /nfs/dbraw/zinc/81/26/19/1370812619.db2.gz RESMUMSSCSJTDA-WCQYABFASA-N 2 1 329.257 3.395 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(OC(F)(F)F)c1 ZINC001205627171 1370816218 /nfs/dbraw/zinc/81/62/18/1370816218.db2.gz NKIKXKIWQRJQSM-QWHCGFSZSA-N 2 1 346.393 3.401 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC3CCOCC3)cc2)CC[C@@H]1C[NH3+] ZINC001205626346 1370816514 /nfs/dbraw/zinc/81/65/14/1370816514.db2.gz GCHFYGQFROKOPK-SJLPKXTDSA-N 2 1 332.488 3.051 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)no2)CC[C@H]1C[NH3+] ZINC001205635480 1370820663 /nfs/dbraw/zinc/82/06/63/1370820663.db2.gz AZAFSQYGQXEZOG-RDJZCZTQSA-N 2 1 329.444 3.060 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(F)c(F)c1Cl ZINC001205665428 1370835199 /nfs/dbraw/zinc/83/51/99/1370835199.db2.gz RFNVZCIRMTUVMJ-WDEREUQCSA-N 2 1 332.822 3.434 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(F)c(F)c1Cl ZINC001205665428 1370835204 /nfs/dbraw/zinc/83/52/04/1370835204.db2.gz RFNVZCIRMTUVMJ-WDEREUQCSA-N 2 1 332.822 3.434 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001205674104 1370838320 /nfs/dbraw/zinc/83/83/20/1370838320.db2.gz ZJPRBECZIDHARJ-GOSISDBHSA-N 2 1 334.847 3.276 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001205830196 1370886179 /nfs/dbraw/zinc/88/61/79/1370886179.db2.gz RXSWOAHZHKYIAR-BBRMVZONSA-N 2 1 330.863 3.356 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001205830196 1370886185 /nfs/dbraw/zinc/88/61/85/1370886185.db2.gz RXSWOAHZHKYIAR-BBRMVZONSA-N 2 1 330.863 3.356 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC001205925039 1370913448 /nfs/dbraw/zinc/91/34/48/1370913448.db2.gz VGQRAPSHYZYMQL-QFBILLFUSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC001205925039 1370913452 /nfs/dbraw/zinc/91/34/52/1370913452.db2.gz VGQRAPSHYZYMQL-QFBILLFUSA-N 2 1 325.456 3.220 20 0 EGADMP COc1cc(Br)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206013254 1370937635 /nfs/dbraw/zinc/93/76/35/1370937635.db2.gz QVLGNWCPZXWELP-OLZOCXBDSA-N 2 1 341.293 3.265 20 0 EGADMP Cc1nc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Br)s1 ZINC001206012632 1370938189 /nfs/dbraw/zinc/93/81/89/1370938189.db2.gz NFELKKFBNFBSDC-ONGXEEELSA-N 2 1 332.311 3.021 20 0 EGADMP Cc1nc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Br)s1 ZINC001206012632 1370938193 /nfs/dbraw/zinc/93/81/93/1370938193.db2.gz NFELKKFBNFBSDC-ONGXEEELSA-N 2 1 332.311 3.021 20 0 EGADMP C[C@H]1C[N@H+](Cc2cnc(Cl)cc2Br)CCC[C@H]1C[NH3+] ZINC001206013203 1370938412 /nfs/dbraw/zinc/93/84/12/1370938412.db2.gz QGGHTQUXMNRAMF-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cnc(Cl)cc2Br)CCC[C@H]1C[NH3+] ZINC001206013203 1370938415 /nfs/dbraw/zinc/93/84/15/1370938415.db2.gz QGGHTQUXMNRAMF-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP Cc1cc(Br)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1O ZINC001206021604 1370940101 /nfs/dbraw/zinc/94/01/01/1370940101.db2.gz AJRVUNDXJZVOPB-STQMWFEESA-N 2 1 341.293 3.270 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(OC)c1Cl ZINC001206036610 1370945139 /nfs/dbraw/zinc/94/51/39/1370945139.db2.gz MFWNNVLMZTVRFV-CHWSQXEVSA-N 2 1 326.868 3.164 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1OCC1CC1 ZINC001206036708 1370945194 /nfs/dbraw/zinc/94/51/94/1370945194.db2.gz ONRWAYQFLAKHEP-WBVHZDCISA-N 2 1 332.488 3.291 20 0 EGADMP [NH3+][C@H]1CC[N@H+](Cc2cc3cc(Br)ccc3[nH]2)CC[C@H]1F ZINC001206174431 1370979857 /nfs/dbraw/zinc/97/98/57/1370979857.db2.gz MXJJLFHQMUJZNR-KGLIPLIRSA-N 2 1 340.240 3.192 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](Cc2cc3cc(Br)ccc3[nH]2)CC[C@H]1F ZINC001206174431 1370979858 /nfs/dbraw/zinc/97/98/58/1370979858.db2.gz MXJJLFHQMUJZNR-KGLIPLIRSA-N 2 1 340.240 3.192 20 0 EGADMP CCC/C=C/CC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001206288743 1371013292 /nfs/dbraw/zinc/01/32/92/1371013292.db2.gz YOYHVGFGCQINPK-VOTSOKGWSA-N 2 1 349.563 3.293 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(Oc3ncccn3)c2)CC1 ZINC001206304322 1371016195 /nfs/dbraw/zinc/01/61/95/1371016195.db2.gz IRDKRAZPFMYTNP-IBGZPJMESA-N 2 1 326.444 3.220 20 0 EGADMP COc1cc(Cl)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(OC)c1 ZINC001206318619 1371020117 /nfs/dbraw/zinc/02/01/17/1371020117.db2.gz SAHDJOSJNCTBRI-QGZVFWFLSA-N 2 1 326.868 3.308 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2csc(-c3ccc(O)cc3)n2)CC1 ZINC001206326263 1371024051 /nfs/dbraw/zinc/02/40/51/1371024051.db2.gz MCPVSDWLPWRWPR-SFHVURJKSA-N 2 1 331.485 3.467 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-c2cnn(CC[NH+](C)C)c2)nc1 ZINC001206332224 1371026127 /nfs/dbraw/zinc/02/61/27/1371026127.db2.gz GGKFEIQQYUQRAK-LJQANCHMSA-N 2 1 327.476 3.054 20 0 EGADMP Cc1c(F)cc(C[NH+]2CCC(CC[NH3+])CC2)cc1Br ZINC001206500900 1371074856 /nfs/dbraw/zinc/07/48/56/1371074856.db2.gz TZSAGPRTTAZPFF-UHFFFAOYSA-N 2 1 329.257 3.457 20 0 EGADMP Cc1cc(Br)cc(C[NH+]2CCC(CC[NH3+])CC2)c1F ZINC001206506763 1371077042 /nfs/dbraw/zinc/07/70/42/1371077042.db2.gz ORAJXZAVOTZSOD-UHFFFAOYSA-N 2 1 329.257 3.457 20 0 EGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206541813 1371087215 /nfs/dbraw/zinc/08/72/15/1371087215.db2.gz KUHNMQHHRJYLOO-NRFANRHFSA-N 3 1 329.532 3.350 20 0 EGADMP C[C@@]1(CN)CCCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206541813 1371087217 /nfs/dbraw/zinc/08/72/17/1371087217.db2.gz KUHNMQHHRJYLOO-NRFANRHFSA-N 2 1 329.532 3.350 20 0 EGADMP C[C@@]1(CN)CCCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206541813 1371087222 /nfs/dbraw/zinc/08/72/22/1371087222.db2.gz KUHNMQHHRJYLOO-NRFANRHFSA-N 2 1 329.532 3.350 20 0 EGADMP CC(C)[N@@H+](CCCCNC(=O)OC(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206582938 1371100658 /nfs/dbraw/zinc/10/06/58/1371100658.db2.gz QLKAWBYRSZKOBI-INIZCTEOSA-N 2 1 327.513 3.144 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1C ZINC001206589483 1371101990 /nfs/dbraw/zinc/10/19/90/1371101990.db2.gz HMMQCLXBJBHQSC-INIZCTEOSA-N 2 1 335.492 3.161 20 0 EGADMP CC(C)[N@@H+](Cc1ccc(-c2ccn(C)n2)cc1)[C@H]1CCC[NH2+]CC1 ZINC001206607177 1371107834 /nfs/dbraw/zinc/10/78/34/1371107834.db2.gz XABUAGOCGMAQOR-IBGZPJMESA-N 2 1 326.488 3.440 20 0 EGADMP COc1ccc(-c2cccc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)n2)cc1 ZINC001206622917 1371111864 /nfs/dbraw/zinc/11/18/64/1371111864.db2.gz IVAVEXIZOBTHKG-INIZCTEOSA-N 2 1 325.456 3.318 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2c[nH]c3cccc(Br)c23)C1 ZINC001206623461 1371111873 /nfs/dbraw/zinc/11/18/73/1371111873.db2.gz LNEDBRQTZZPWBS-GFCCVEGCSA-N 2 1 336.277 3.491 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2c[nH]c3cccc(Br)c23)C1 ZINC001206623461 1371111875 /nfs/dbraw/zinc/11/18/75/1371111875.db2.gz LNEDBRQTZZPWBS-GFCCVEGCSA-N 2 1 336.277 3.491 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC001206646971 1371117944 /nfs/dbraw/zinc/11/79/44/1371117944.db2.gz FSYLZQXJODOFCK-NSHDSACASA-N 2 1 338.249 3.151 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC001206646971 1371117948 /nfs/dbraw/zinc/11/79/48/1371117948.db2.gz FSYLZQXJODOFCK-NSHDSACASA-N 2 1 338.249 3.151 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc2c1NC(C)(C)C=C2 ZINC001206646409 1371118597 /nfs/dbraw/zinc/11/85/97/1371118597.db2.gz BIAZUEFJGNEAAS-OAHLLOKOSA-N 2 1 329.488 3.473 20 0 EGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC001118121236 1371133232 /nfs/dbraw/zinc/13/32/32/1371133232.db2.gz CPRMWMMPWUHPBL-CABCVRRESA-N 2 1 338.517 3.052 20 0 EGADMP Fc1ccc(-n2ccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)n2)c(F)c1 ZINC001118263442 1371153759 /nfs/dbraw/zinc/15/37/59/1371153759.db2.gz FFNCFBSTPKBOLP-UHFFFAOYSA-N 2 1 346.425 3.116 20 0 EGADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001118264131 1371154482 /nfs/dbraw/zinc/15/44/82/1371154482.db2.gz TXTHSCHWFKVUJV-KRWDZBQOSA-N 2 1 329.488 3.096 20 0 EGADMP Cc1ccc2nc(C[NH+]3CCC(C[NH3+])(c4ccccc4)CC3)[nH]c2c1 ZINC001206760350 1371155582 /nfs/dbraw/zinc/15/55/82/1371155582.db2.gz DXPWUPZCWVDSJC-UHFFFAOYSA-N 2 1 334.467 3.364 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001206889604 1371209881 /nfs/dbraw/zinc/20/98/81/1371209881.db2.gz ZVYQKEWWMJSILP-UHFFFAOYSA-N 2 1 349.563 3.127 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001206947938 1371240670 /nfs/dbraw/zinc/24/06/70/1371240670.db2.gz OZBNFVARHCHMEF-HDICACEKSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953357 1371243786 /nfs/dbraw/zinc/24/37/86/1371243786.db2.gz FETFCWZPGBKYLH-FQEVSTJZSA-N 2 1 345.531 3.308 20 0 EGADMP CC(C)=CC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953599 1371243902 /nfs/dbraw/zinc/24/39/02/1371243902.db2.gz VJMPWLTYMUHELU-FQEVSTJZSA-N 2 1 343.515 3.084 20 0 EGADMP c1[nH+]c(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)n2ccccc12 ZINC001207057526 1371281480 /nfs/dbraw/zinc/28/14/80/1371281480.db2.gz OEIUQVFKMZGWQW-UHFFFAOYSA-N 2 1 346.478 3.357 20 0 EGADMP c1[nH+]c(CN2CCC([N@H+]3CCc4ccccc4C3)CC2)n2ccccc12 ZINC001207057526 1371281483 /nfs/dbraw/zinc/28/14/83/1371281483.db2.gz OEIUQVFKMZGWQW-UHFFFAOYSA-N 2 1 346.478 3.357 20 0 EGADMP O=c1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)[nH]1 ZINC001207067999 1371284778 /nfs/dbraw/zinc/28/47/78/1371284778.db2.gz BSNUMKIJPZQSKB-UHFFFAOYSA-N 2 1 343.496 3.337 20 0 EGADMP CCN1CCO[C@@H]2C[N@@H+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207185544 1371323268 /nfs/dbraw/zinc/32/32/68/1371323268.db2.gz JOXCEOIGGOTGOU-UKBAYJJMSA-N 2 1 334.891 3.096 20 0 EGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207185544 1371323271 /nfs/dbraw/zinc/32/32/71/1371323271.db2.gz JOXCEOIGGOTGOU-UKBAYJJMSA-N 2 1 334.891 3.096 20 0 EGADMP CC[N@H+]1CCO[C@@H]2C[NH+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207185544 1371323274 /nfs/dbraw/zinc/32/32/74/1371323274.db2.gz JOXCEOIGGOTGOU-UKBAYJJMSA-N 2 1 334.891 3.096 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001207280104 1371348696 /nfs/dbraw/zinc/34/86/96/1371348696.db2.gz SIIKVQJBCWWMFJ-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001207280104 1371348702 /nfs/dbraw/zinc/34/87/02/1371348702.db2.gz SIIKVQJBCWWMFJ-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207278927 1371348743 /nfs/dbraw/zinc/34/87/43/1371348743.db2.gz HDZYVAMSLJIGLE-CVEARBPZSA-N 2 1 341.540 3.199 20 0 EGADMP CC[N@@H+](CC(C)(C)C[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207287109 1371351707 /nfs/dbraw/zinc/35/17/07/1371351707.db2.gz XSDRWWWUXGRBMO-UHFFFAOYSA-N 2 1 341.540 3.296 20 0 EGADMP CC[N@@H+](CCN1CCCC1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207290817 1371352516 /nfs/dbraw/zinc/35/25/16/1371352516.db2.gz HDBGILURPHQCJR-UHFFFAOYSA-N 2 1 329.532 3.316 20 0 EGADMP COC(=O)[C@H]1C[C@H](C)C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207290678 1371352967 /nfs/dbraw/zinc/35/29/67/1371352967.db2.gz AQZOIQNPJCBCCR-PXNSSMCTSA-N 2 1 344.499 3.030 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@@H](N4CCCCC4)C3)CC2)cc1 ZINC001207291805 1371352984 /nfs/dbraw/zinc/35/29/84/1371352984.db2.gz YXDFHBQSQIQSGP-JOCHJYFZSA-N 2 1 341.543 3.459 20 0 EGADMP c1ccc(C[NH+]2CCC(CN3CC[C@@H]([NH+]4CCCCC4)C3)CC2)cc1 ZINC001207291805 1371352988 /nfs/dbraw/zinc/35/29/88/1371352988.db2.gz YXDFHBQSQIQSGP-JOCHJYFZSA-N 2 1 341.543 3.459 20 0 EGADMP COC(=O)[C@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207295627 1371354171 /nfs/dbraw/zinc/35/41/71/1371354171.db2.gz WXXOWGDPBLUYIK-FQEVSTJZSA-N 2 1 344.499 3.174 20 0 EGADMP C[NH+]1CCC(C[NH+]2CC(Oc3cccc(C(F)(F)F)c3)C2)CC1 ZINC001207398287 1371383730 /nfs/dbraw/zinc/38/37/30/1371383730.db2.gz FUKCOSGAKJIUJK-UHFFFAOYSA-N 2 1 328.378 3.110 20 0 EGADMP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207436515 1371394920 /nfs/dbraw/zinc/39/49/20/1371394920.db2.gz LIBZZECPJJKAGB-SFHVURJKSA-N 2 1 329.488 3.096 20 0 EGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001207467679 1371403976 /nfs/dbraw/zinc/40/39/76/1371403976.db2.gz HHDFYZSZVKBYJG-UYWIDEMCSA-N 2 1 343.515 3.041 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001207467679 1371403981 /nfs/dbraw/zinc/40/39/81/1371403981.db2.gz HHDFYZSZVKBYJG-UYWIDEMCSA-N 2 1 343.515 3.041 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001207467679 1371403983 /nfs/dbraw/zinc/40/39/83/1371403983.db2.gz HHDFYZSZVKBYJG-UYWIDEMCSA-N 2 1 343.515 3.041 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001207467679 1371403987 /nfs/dbraw/zinc/40/39/87/1371403987.db2.gz HHDFYZSZVKBYJG-UYWIDEMCSA-N 2 1 343.515 3.041 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001207467679 1371403990 /nfs/dbraw/zinc/40/39/90/1371403990.db2.gz HHDFYZSZVKBYJG-UYWIDEMCSA-N 2 1 343.515 3.041 20 0 EGADMP C[NH+]1CCC(CC[NH+]2CCN([C@H]3CCCc4ccccc43)CC2)CC1 ZINC001207487757 1371410397 /nfs/dbraw/zinc/41/03/97/1371410397.db2.gz QLRGDQIRZOTDBT-QFIPXVFZSA-N 2 1 341.543 3.414 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)[C@H](c2ccccc2)C1 ZINC001207486770 1371411314 /nfs/dbraw/zinc/41/13/14/1371411314.db2.gz CPNCHGDORMETOH-UXHICEINSA-N 2 1 344.499 3.345 20 0 EGADMP Fc1ccc(CC[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001207513531 1371421373 /nfs/dbraw/zinc/42/13/73/1371421373.db2.gz YOXDWPYWWPYION-IRXDYDNUSA-N 2 1 330.472 3.494 20 0 EGADMP Cc1cccc(CC[NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3C2)c1 ZINC001207537000 1371429089 /nfs/dbraw/zinc/42/90/89/1371429089.db2.gz LDGMDQAWIHNWTP-UHFFFAOYSA-N 2 1 326.488 3.090 20 0 EGADMP Cc1cccc(CC[NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3C2)c1 ZINC001207537000 1371429092 /nfs/dbraw/zinc/42/90/92/1371429092.db2.gz LDGMDQAWIHNWTP-UHFFFAOYSA-N 2 1 326.488 3.090 20 0 EGADMP Cc1cccc(CC[N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3C2)c1 ZINC001207537000 1371429095 /nfs/dbraw/zinc/42/90/95/1371429095.db2.gz LDGMDQAWIHNWTP-UHFFFAOYSA-N 2 1 326.488 3.090 20 0 EGADMP Cc1cccc(CC[N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3C2)c1 ZINC001207537000 1371429099 /nfs/dbraw/zinc/42/90/99/1371429099.db2.gz LDGMDQAWIHNWTP-UHFFFAOYSA-N 2 1 326.488 3.090 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207537680 1371429570 /nfs/dbraw/zinc/42/95/70/1371429570.db2.gz GONHRTUWFGZNQM-ODWICZQRSA-N 2 1 349.563 3.147 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001207537680 1371429574 /nfs/dbraw/zinc/42/95/74/1371429574.db2.gz GONHRTUWFGZNQM-ODWICZQRSA-N 2 1 349.563 3.147 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001207537680 1371429576 /nfs/dbraw/zinc/42/95/76/1371429576.db2.gz GONHRTUWFGZNQM-ODWICZQRSA-N 2 1 349.563 3.147 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3c(Cl)nc4ccccn43)C[C@H]2C1 ZINC001119990766 1371445218 /nfs/dbraw/zinc/44/52/18/1371445218.db2.gz YNEATYBWKLUPBK-RRFJBIMHSA-N 2 1 332.879 3.150 20 0 EGADMP CC/C=C\CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120010679 1371454133 /nfs/dbraw/zinc/45/41/33/1371454133.db2.gz UHTUTIKUWXCXRQ-XDXAGZTOSA-N 2 1 335.536 3.093 20 0 EGADMP CCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)n1 ZINC001120031668 1371462746 /nfs/dbraw/zinc/46/27/46/1371462746.db2.gz SBXKPBZSJYEUST-UZLBHIALSA-N 2 1 326.488 3.212 20 0 EGADMP CCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)n1 ZINC001120031668 1371462748 /nfs/dbraw/zinc/46/27/48/1371462748.db2.gz SBXKPBZSJYEUST-UZLBHIALSA-N 2 1 326.488 3.212 20 0 EGADMP CCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)n1 ZINC001120031667 1371462876 /nfs/dbraw/zinc/46/28/76/1371462876.db2.gz SBXKPBZSJYEUST-OXQOHEQNSA-N 2 1 326.488 3.212 20 0 EGADMP CCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)n1 ZINC001120031667 1371462880 /nfs/dbraw/zinc/46/28/80/1371462880.db2.gz SBXKPBZSJYEUST-OXQOHEQNSA-N 2 1 326.488 3.212 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCC1 ZINC001120045989 1371467195 /nfs/dbraw/zinc/46/71/95/1371467195.db2.gz LJWSZAWUOHHQAI-QRVBRYPASA-N 2 1 349.563 3.173 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]C[C@@H](C)CC(C)C)CCCCC1 ZINC001120140622 1371494283 /nfs/dbraw/zinc/49/42/83/1371494283.db2.gz GQJAVXGHGDBIGA-KRWDZBQOSA-N 2 1 348.535 3.282 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001207790810 1371504935 /nfs/dbraw/zinc/50/49/35/1371504935.db2.gz YKCRAFCAYZVNLC-XWMIQMMGSA-N 2 1 340.471 3.049 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC=C(C)C)CCCCC1 ZINC001120208451 1371505638 /nfs/dbraw/zinc/50/56/38/1371505638.db2.gz ZXWWCBDGVNVVAP-SFHVURJKSA-N 2 1 335.536 3.236 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)C[N@H+](C)Cc2ccccc2)CCCCC1 ZINC001120245267 1371511992 /nfs/dbraw/zinc/51/19/92/1371511992.db2.gz GHGJDINMTZUFDC-UHFFFAOYSA-N 2 1 345.531 3.327 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)C[N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001120245267 1371512000 /nfs/dbraw/zinc/51/20/00/1371512000.db2.gz GHGJDINMTZUFDC-UHFFFAOYSA-N 2 1 345.531 3.327 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001207867966 1371525780 /nfs/dbraw/zinc/52/57/80/1371525780.db2.gz FYAONDRQOLRPSI-FOSBAXRVSA-N 2 1 340.471 3.131 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CC2CC2)C1)CC(C)(C)C ZINC001120431608 1371575664 /nfs/dbraw/zinc/57/56/64/1371575664.db2.gz UYMOXEQAOYSXDL-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC2CC2)C1)CC(C)(C)C ZINC001120431608 1371575668 /nfs/dbraw/zinc/57/56/68/1371575668.db2.gz UYMOXEQAOYSXDL-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC2CC2)C1)CC(C)(C)C ZINC001120431608 1371575670 /nfs/dbraw/zinc/57/56/70/1371575670.db2.gz UYMOXEQAOYSXDL-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC2CCC2)C1 ZINC001120450551 1371581629 /nfs/dbraw/zinc/58/16/29/1371581629.db2.gz WMURKAHAKGEHOD-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@H]([NH2+]CCC(C)C)C1 ZINC001208073954 1371588491 /nfs/dbraw/zinc/58/84/91/1371588491.db2.gz QOYHPYXJOULWSU-SJORKVTESA-N 2 1 334.508 3.023 20 0 EGADMP CC1(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CCOCC1 ZINC001208076996 1371588822 /nfs/dbraw/zinc/58/88/22/1371588822.db2.gz OMGMJLKHLBEYQY-UHFFFAOYSA-N 2 1 328.500 3.326 20 0 EGADMP CC1(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CCOCC1 ZINC001208076996 1371588827 /nfs/dbraw/zinc/58/88/27/1371588827.db2.gz OMGMJLKHLBEYQY-UHFFFAOYSA-N 2 1 328.500 3.326 20 0 EGADMP CS[C@H](C)CC[N@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001208145334 1371609112 /nfs/dbraw/zinc/60/91/12/1371609112.db2.gz UWEBQKZPTKBRNT-ILXRZTDVSA-N 2 1 325.547 3.181 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C[C@@H]3CCC(C)=C[C@@H]3C)CC2)C1 ZINC001208169609 1371617180 /nfs/dbraw/zinc/61/71/80/1371617180.db2.gz QTTKRKMQNMXSDN-GBESFXJTSA-N 2 1 348.531 3.328 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001208447339 1371769611 /nfs/dbraw/zinc/76/96/11/1371769611.db2.gz FFNPYGNFTBBPKO-WSTZPKSXSA-N 2 1 345.531 3.143 20 0 EGADMP C[N@H+]1CC[C@@]2(CCN(C[C@H]3CCCC[NH+]3Cc3ccccc3)C2)C1 ZINC001208589946 1371830496 /nfs/dbraw/zinc/83/04/96/1371830496.db2.gz AVAYRMAGKKSHFC-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CC[C@@]2(CCN(C[C@H]3CCCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001208589946 1371830499 /nfs/dbraw/zinc/83/04/99/1371830499.db2.gz AVAYRMAGKKSHFC-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CC[C@@]2(CCN(C[C@H]3CCCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001208589946 1371830503 /nfs/dbraw/zinc/83/05/03/1371830503.db2.gz AVAYRMAGKKSHFC-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCC([NH+]3CCC3)CC2)cc1 ZINC001208593289 1371833135 /nfs/dbraw/zinc/83/31/35/1371833135.db2.gz GGUQFSJGDHUOHF-OAQYLSRUSA-N 2 1 327.516 3.211 20 0 EGADMP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC1CC[NH+](CC)CC1 ZINC001208597326 1371834961 /nfs/dbraw/zinc/83/49/61/1371834961.db2.gz GHZUVNROHFZLIZ-QGZVFWFLSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208602344 1371835709 /nfs/dbraw/zinc/83/57/09/1371835709.db2.gz CJUWNWYEHCQHDV-VXKWHMMOSA-N 3 1 341.543 3.172 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208602344 1371835713 /nfs/dbraw/zinc/83/57/13/1371835713.db2.gz CJUWNWYEHCQHDV-VXKWHMMOSA-N 3 1 341.543 3.172 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208602344 1371835717 /nfs/dbraw/zinc/83/57/17/1371835717.db2.gz CJUWNWYEHCQHDV-VXKWHMMOSA-N 2 1 341.543 3.172 20 0 EGADMP CC[NH+]1CCC(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208602344 1371835720 /nfs/dbraw/zinc/83/57/20/1371835720.db2.gz CJUWNWYEHCQHDV-VXKWHMMOSA-N 2 1 341.543 3.172 20 0 EGADMP CC[NH+]1CCC(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208602344 1371835727 /nfs/dbraw/zinc/83/57/27/1371835727.db2.gz CJUWNWYEHCQHDV-VXKWHMMOSA-N 2 1 341.543 3.172 20 0 EGADMP CC[N@@H+](CC1CC[NH+](CC)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208601704 1371836016 /nfs/dbraw/zinc/83/60/16/1371836016.db2.gz RIVPGOQUKWBMJV-QGZVFWFLSA-N 2 1 339.524 3.050 20 0 EGADMP CCC(=O)N(c1ccccc1)C1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208603304 1371837362 /nfs/dbraw/zinc/83/73/62/1371837362.db2.gz AWAUCHWOCZPSNT-GOSISDBHSA-N 2 1 343.515 3.236 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)C1 ZINC001208612356 1371839967 /nfs/dbraw/zinc/83/99/67/1371839967.db2.gz GLYNISATTGRRMT-HBMCJLEFSA-N 2 1 343.515 3.042 20 0 EGADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)C1 ZINC001208612356 1371839973 /nfs/dbraw/zinc/83/99/73/1371839973.db2.gz GLYNISATTGRRMT-HBMCJLEFSA-N 2 1 343.515 3.042 20 0 EGADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)C1 ZINC001208612356 1371839978 /nfs/dbraw/zinc/83/99/78/1371839978.db2.gz GLYNISATTGRRMT-HBMCJLEFSA-N 2 1 343.515 3.042 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)C1 ZINC001208619437 1371844717 /nfs/dbraw/zinc/84/47/17/1371844717.db2.gz XNKVEBYPIHKWIV-MLHJIOFPSA-N 2 1 336.520 3.303 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)C1 ZINC001208619437 1371844721 /nfs/dbraw/zinc/84/47/21/1371844721.db2.gz XNKVEBYPIHKWIV-MLHJIOFPSA-N 2 1 336.520 3.303 20 0 EGADMP C[NH+]1CCC[C@H](C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)C1 ZINC001208619437 1371844725 /nfs/dbraw/zinc/84/47/25/1371844725.db2.gz XNKVEBYPIHKWIV-MLHJIOFPSA-N 2 1 336.520 3.303 20 0 EGADMP C[NH+]1CCC[C@H](C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)C1 ZINC001208619437 1371844730 /nfs/dbraw/zinc/84/47/30/1371844730.db2.gz XNKVEBYPIHKWIV-MLHJIOFPSA-N 2 1 336.520 3.303 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208677249 1371858577 /nfs/dbraw/zinc/85/85/77/1371858577.db2.gz YCGTWGDRDODTDH-ZIFCJYIRSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001208677249 1371858584 /nfs/dbraw/zinc/85/85/84/1371858584.db2.gz YCGTWGDRDODTDH-ZIFCJYIRSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001208677249 1371858587 /nfs/dbraw/zinc/85/85/87/1371858587.db2.gz YCGTWGDRDODTDH-ZIFCJYIRSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H](C[NH+]1CCC([N@H+](C)C2CCOCC2)CC1)OCc1ccccc1 ZINC001208702135 1371867849 /nfs/dbraw/zinc/86/78/49/1371867849.db2.gz HUPAYITYSOTREZ-SFHVURJKSA-N 2 1 346.515 3.167 20 0 EGADMP C[C@@H](C[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1)OCc1ccccc1 ZINC001208702135 1371867855 /nfs/dbraw/zinc/86/78/55/1371867855.db2.gz HUPAYITYSOTREZ-SFHVURJKSA-N 2 1 346.515 3.167 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2CC1(c2ccccc2)CCCC1 ZINC001208776095 1371892980 /nfs/dbraw/zinc/89/29/80/1371892980.db2.gz OLWNAGBSYDTLDT-LEWJYISDSA-N 2 1 341.543 3.209 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121233944 1371902868 /nfs/dbraw/zinc/90/28/68/1371902868.db2.gz UFGOSLGRFUGTQR-RBUNFDSBSA-N 2 1 349.563 3.312 20 0 EGADMP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001121261035 1371912780 /nfs/dbraw/zinc/91/27/80/1371912780.db2.gz MMXYYEHLBIATSH-MBEFBZSESA-N 2 1 349.563 3.314 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC1CCC1)C2 ZINC001121295147 1371926827 /nfs/dbraw/zinc/92/68/27/1371926827.db2.gz SANRRLNIZMCVCP-FCOWATRHSA-N 2 1 347.547 3.068 20 0 EGADMP C[N@@H+](C1CC1)C1CC[NH+](CC2CCN(c3ccccc3)CC2)CC1 ZINC001208910373 1371940643 /nfs/dbraw/zinc/94/06/43/1371940643.db2.gz FYBUZSFLSUEXQU-UHFFFAOYSA-N 2 1 327.516 3.462 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@@]1(C)O ZINC001208932874 1371952359 /nfs/dbraw/zinc/95/23/59/1371952359.db2.gz RSMGADHWMMCSMU-HMXCVIKNSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@@]1(C)O ZINC001208932874 1371952361 /nfs/dbraw/zinc/95/23/61/1371952361.db2.gz RSMGADHWMMCSMU-HMXCVIKNSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@@]1(C)O ZINC001208932874 1371952365 /nfs/dbraw/zinc/95/23/65/1371952365.db2.gz RSMGADHWMMCSMU-HMXCVIKNSA-N 2 1 330.516 3.382 20 0 EGADMP COC(=O)C[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939130 1371953209 /nfs/dbraw/zinc/95/32/09/1371953209.db2.gz FWLXHNAYFOYVJI-PMACEKPBSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)C[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208939130 1371953213 /nfs/dbraw/zinc/95/32/13/1371953213.db2.gz FWLXHNAYFOYVJI-PMACEKPBSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)C[C@@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939130 1371953216 /nfs/dbraw/zinc/95/32/16/1371953216.db2.gz FWLXHNAYFOYVJI-PMACEKPBSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)C1(C)CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208950860 1371960339 /nfs/dbraw/zinc/96/03/39/1371960339.db2.gz WZEQWHWFDPVOLD-LJQANCHMSA-N 2 1 344.499 3.174 20 0 EGADMP C[N@@H+](C1CC1)C1CCN(C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208959660 1371961927 /nfs/dbraw/zinc/96/19/27/1371961927.db2.gz SUEXEBDGWQJTHA-IBGZPJMESA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+](C1CC1)C1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208959660 1371961932 /nfs/dbraw/zinc/96/19/32/1371961932.db2.gz SUEXEBDGWQJTHA-IBGZPJMESA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+](C1CC1)C1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208959660 1371961945 /nfs/dbraw/zinc/96/19/45/1371961945.db2.gz SUEXEBDGWQJTHA-IBGZPJMESA-N 2 1 327.516 3.067 20 0 EGADMP Cc1nnc([C@@H]2CCC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC001208955806 1371962196 /nfs/dbraw/zinc/96/21/96/1371962196.db2.gz FRIUCPDKLDMDHW-RBUKOAKNSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nnc([C@@H]2CCC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC001208955806 1371962200 /nfs/dbraw/zinc/96/22/00/1371962200.db2.gz FRIUCPDKLDMDHW-RBUKOAKNSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nnc([C@@H]2CCC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC001208955806 1371962202 /nfs/dbraw/zinc/96/22/02/1371962202.db2.gz FRIUCPDKLDMDHW-RBUKOAKNSA-N 2 1 340.471 3.080 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001121772449 1372076413 /nfs/dbraw/zinc/07/64/13/1372076413.db2.gz AKILOONORUQCJJ-ZCBKYUGRSA-N 2 1 347.547 3.092 20 0 EGADMP C[N@@H+](CCCCCCNC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001209357025 1372076542 /nfs/dbraw/zinc/07/65/42/1372076542.db2.gz LEQKEJUZPXCCHZ-UHFFFAOYSA-N 2 1 341.540 3.345 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001121773353 1372077049 /nfs/dbraw/zinc/07/70/49/1372077049.db2.gz PYONBLQULTWVPI-HNRGNPPISA-N 2 1 349.563 3.027 20 0 EGADMP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001121778901 1372078613 /nfs/dbraw/zinc/07/86/13/1372078613.db2.gz DAIPKSCYAWKXFW-AATRIKPKSA-N 2 1 347.547 3.092 20 0 EGADMP C[N@H+](CCC[NH+]1CCCCC1)CCc1cccc(C(F)(F)F)n1 ZINC001209447664 1372108562 /nfs/dbraw/zinc/10/85/62/1372108562.db2.gz BUUCCQVWRLCIMV-UHFFFAOYSA-N 2 1 329.410 3.451 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCCC1)CCc1cccc(C(F)(F)F)n1 ZINC001209447664 1372108567 /nfs/dbraw/zinc/10/85/67/1372108567.db2.gz BUUCCQVWRLCIMV-UHFFFAOYSA-N 2 1 329.410 3.451 20 0 EGADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@H](c2ccc(Br)cc2)C1 ZINC001209730819 1372179220 /nfs/dbraw/zinc/17/92/20/1372179220.db2.gz JYXWQAAATIOSAI-CYBMUJFWSA-N 2 1 332.245 3.246 20 0 EGADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@@H](c2ccc(Br)cc2)C1 ZINC001209730819 1372179222 /nfs/dbraw/zinc/17/92/22/1372179222.db2.gz JYXWQAAATIOSAI-CYBMUJFWSA-N 2 1 332.245 3.246 20 0 EGADMP COc1ccc2oc(C[NH+]3CCC4(CC(N(C)C)=[NH+]O4)CC3)cc2c1 ZINC001209771690 1372190585 /nfs/dbraw/zinc/19/05/85/1372190585.db2.gz RIJXHUPJNFCWPL-UHFFFAOYSA-N 2 1 343.427 3.071 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCCCC)C1 ZINC001210182999 1372289849 /nfs/dbraw/zinc/28/98/49/1372289849.db2.gz JXXIPTSKNBRUGD-SFHVURJKSA-N 2 1 325.541 3.269 20 0 EGADMP Cc1ccc2nc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)sc2c1 ZINC001210262303 1372308532 /nfs/dbraw/zinc/30/85/32/1372308532.db2.gz WXBLGOIUHRCWPE-UHFFFAOYSA-N 2 1 325.441 3.153 20 0 EGADMP C[C@@H]1CCc2nc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)sc2C1 ZINC001326463627 1388200297 /nfs/dbraw/zinc/20/02/97/1388200297.db2.gz FRKYRSZBWZZKSE-MUIFIZLQSA-N 2 1 349.544 3.129 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1C ZINC001211370936 1372542168 /nfs/dbraw/zinc/54/21/68/1372542168.db2.gz DRBWJUITKCMWRS-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1C ZINC001211370936 1372542176 /nfs/dbraw/zinc/54/21/76/1372542176.db2.gz DRBWJUITKCMWRS-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1C ZINC001211370936 1372542178 /nfs/dbraw/zinc/54/21/78/1372542178.db2.gz DRBWJUITKCMWRS-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc3ccn(C)c3c2)no1 ZINC001212145613 1372663716 /nfs/dbraw/zinc/66/37/16/1372663716.db2.gz YVPWUPCTDHYDTB-INIZCTEOSA-N 2 1 341.459 3.396 20 0 EGADMP COc1ccc(OC(F)F)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001326516009 1388226373 /nfs/dbraw/zinc/22/63/73/1388226373.db2.gz AGZOZBPGCSHBBM-UHFFFAOYSA-N 2 1 340.414 3.262 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001127678867 1373159402 /nfs/dbraw/zinc/15/94/02/1373159402.db2.gz FIGCVKRWLVXERW-CABCVRRESA-N 2 1 346.450 3.003 20 0 EGADMP C[NH2+]Cc1cccc(Nc2cccc(C[NH+]3CCN(C)CC3)c2)c1F ZINC001216223477 1373284396 /nfs/dbraw/zinc/28/43/96/1373284396.db2.gz BDAOOWBUFWESFG-UHFFFAOYSA-N 2 1 342.462 3.036 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001216226302 1373285240 /nfs/dbraw/zinc/28/52/40/1373285240.db2.gz RSWXCHVTCQOKQI-QWFCFKBJSA-N 2 1 345.531 3.143 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001216490612 1373311828 /nfs/dbraw/zinc/31/18/28/1373311828.db2.gz GRQCAERAMSTKSO-GPMSIDNRSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001216511357 1373313386 /nfs/dbraw/zinc/31/33/86/1373313386.db2.gz PEQARAQNOJTVFN-WSTZPKSXSA-N 2 1 345.531 3.224 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216851017 1373350678 /nfs/dbraw/zinc/35/06/78/1373350678.db2.gz YCMDFSXSLWCNDU-OSECFARBSA-N 2 1 343.515 3.082 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001130299768 1373487802 /nfs/dbraw/zinc/48/78/02/1373487802.db2.gz CKGCPNAGNNYNFW-APWZRJJASA-N 2 1 331.504 3.061 20 0 EGADMP C[C@@H](OCCCCCCC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001217870420 1373508774 /nfs/dbraw/zinc/50/87/74/1373508774.db2.gz SSDOCAXFXGUJBD-UYAOXDASSA-N 2 1 334.504 3.202 20 0 EGADMP C[C@@H](OCCCCCCC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001217870420 1373508780 /nfs/dbraw/zinc/50/87/80/1373508780.db2.gz SSDOCAXFXGUJBD-UYAOXDASSA-N 2 1 334.504 3.202 20 0 EGADMP [NH3+]Cc1ccccc1CO[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001217911230 1373511438 /nfs/dbraw/zinc/51/14/38/1373511438.db2.gz NOAKQXZNRMXSOK-IBGZPJMESA-N 2 1 328.431 3.466 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COCCCCCC[NH3+])O1 ZINC001217908203 1373511471 /nfs/dbraw/zinc/51/14/71/1373511471.db2.gz JGCCCGINYNRHBZ-LJQANCHMSA-N 2 1 334.504 3.202 20 0 EGADMP C[N@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@@H]2C[NH2+]C[C@@H]2F)cc13 ZINC001218001271 1373531574 /nfs/dbraw/zinc/53/15/74/1373531574.db2.gz SVVVPLBMFDOTEA-RSRIQPTJSA-N 2 1 344.474 3.064 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]C/C=C\c1ccccc1 ZINC001130615633 1373571248 /nfs/dbraw/zinc/57/12/48/1373571248.db2.gz ORBLQVNQLFMPBH-XFXZXTDPSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001130711450 1373583180 /nfs/dbraw/zinc/58/31/80/1373583180.db2.gz VPLBEKBUBDSFMQ-SFHVURJKSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001130710697 1373583213 /nfs/dbraw/zinc/58/32/13/1373583213.db2.gz AVCNRTWKAJGSIY-HXUWFJFHSA-N 2 1 345.531 3.136 20 0 EGADMP C[C@@H]1CC[C@@H](Oc2ccc3c(n2)C[N@@H+](Cc2ccccc2)CC3)C[NH2+]1 ZINC001218407296 1373609704 /nfs/dbraw/zinc/60/97/04/1373609704.db2.gz OYGXJNPHZYHJCC-VQIMIIECSA-N 2 1 337.467 3.159 20 0 EGADMP C[C@@H]1CC[C@@H](Oc2ccc3c(n2)C[N@H+](Cc2ccccc2)CC3)C[NH2+]1 ZINC001218407296 1373609710 /nfs/dbraw/zinc/60/97/10/1373609710.db2.gz OYGXJNPHZYHJCC-VQIMIIECSA-N 2 1 337.467 3.159 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC001219024420 1373680827 /nfs/dbraw/zinc/68/08/27/1373680827.db2.gz YDUXKXYGSTWJSY-HXUWFJFHSA-N 2 1 329.488 3.389 20 0 EGADMP CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC001219712936 1373729468 /nfs/dbraw/zinc/72/94/68/1373729468.db2.gz AAWZBSZSPWAMQE-UHFFFAOYSA-N 2 1 347.507 3.268 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C(=O)NC[C@]1(F)CCC[NH2+]C1)c1ccccc1 ZINC001219768172 1373731813 /nfs/dbraw/zinc/73/18/13/1373731813.db2.gz KPORCCDDLMPVPJ-QUCCMNQESA-N 2 1 349.494 3.058 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001221553135 1373780153 /nfs/dbraw/zinc/78/01/53/1373780153.db2.gz SIRAZRSSAOGNJN-CQQBRXBZSA-N 2 1 347.547 3.140 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C2 ZINC001326727650 1388291148 /nfs/dbraw/zinc/29/11/48/1388291148.db2.gz GPWPBGPBFAVIOQ-YJBOKZPZSA-N 2 1 330.863 3.291 20 0 EGADMP CC[N@H+]1CCC[C@@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001326740104 1388295444 /nfs/dbraw/zinc/29/54/44/1388295444.db2.gz DNNGBQVGQKNWQC-PMACEKPBSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCC[C@@H](CN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001326740104 1388295445 /nfs/dbraw/zinc/29/54/45/1388295445.db2.gz DNNGBQVGQKNWQC-PMACEKPBSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCC[C@@H](CN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001326740104 1388295449 /nfs/dbraw/zinc/29/54/49/1388295449.db2.gz DNNGBQVGQKNWQC-PMACEKPBSA-N 2 1 329.532 3.361 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001326740104 1388295453 /nfs/dbraw/zinc/29/54/53/1388295453.db2.gz DNNGBQVGQKNWQC-PMACEKPBSA-N 2 1 329.532 3.361 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001326740104 1388295456 /nfs/dbraw/zinc/29/54/56/1388295456.db2.gz DNNGBQVGQKNWQC-PMACEKPBSA-N 2 1 329.532 3.361 20 0 EGADMP C[N@H+](CC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1)Cc1ccccc1 ZINC001188361182 1388296500 /nfs/dbraw/zinc/29/65/00/1388296500.db2.gz GSCFFERGZUSQOJ-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1)Cc1ccccc1 ZINC001188361182 1388296504 /nfs/dbraw/zinc/29/65/04/1388296504.db2.gz GSCFFERGZUSQOJ-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP C[N@@H+](CCC(=O)NCC1CC[NH+](CCC2CC2)CC1)C1CCCCC1 ZINC001223928317 1375048153 /nfs/dbraw/zinc/04/81/53/1375048153.db2.gz ABTMEDZBAJMPAJ-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC[NH+](C/C=C\Cl)CC1 ZINC001224884394 1375082421 /nfs/dbraw/zinc/08/24/21/1375082421.db2.gz QXRTYZCSJLMQAE-YFHOEESVSA-N 2 1 343.943 3.079 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC[NH+](CC2=CCCCC2)CC1 ZINC001225245057 1375099325 /nfs/dbraw/zinc/09/93/25/1375099325.db2.gz NPKOHIBEXQWQOF-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC[NH+](CCC2CCCC2)CC1 ZINC001225244101 1375099448 /nfs/dbraw/zinc/09/94/48/1375099448.db2.gz HAFSRDJDQYLXPL-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCC1CCCCC1 ZINC001132105202 1375149978 /nfs/dbraw/zinc/14/99/78/1375149978.db2.gz CLLNQTIJBLRRKQ-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132141960 1375167252 /nfs/dbraw/zinc/16/72/52/1375167252.db2.gz WBDCLSCUHCCUIF-ROUUACIJSA-N 2 1 346.519 3.067 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132153892 1375174337 /nfs/dbraw/zinc/17/43/37/1375174337.db2.gz USTVXDZRCSQTEH-HRMTXBTBSA-N 2 1 340.471 3.273 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@H+]1CC1CCCC1 ZINC001132211291 1375211723 /nfs/dbraw/zinc/21/17/23/1375211723.db2.gz NYCFJARMSKLZTN-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001132214964 1375213292 /nfs/dbraw/zinc/21/32/92/1375213292.db2.gz PQXQVGSZMWLFGR-PLQXZHKYSA-N 2 1 335.536 3.186 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC001226333413 1375241524 /nfs/dbraw/zinc/24/15/24/1375241524.db2.gz IUHOGASXOLOXSS-CGTJXYLNSA-N 2 1 346.519 3.214 20 0 EGADMP Cc1cc(C)c(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)c(C)c1 ZINC001132266455 1375255382 /nfs/dbraw/zinc/25/53/82/1375255382.db2.gz XHQPVPBHAQTGPW-OALUTQOASA-N 2 1 345.531 3.033 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CCC1CCCCC1 ZINC001132269659 1375257427 /nfs/dbraw/zinc/25/74/27/1375257427.db2.gz NINXXBXUGVAOSE-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCC(C)C)C1 ZINC001132366281 1375332042 /nfs/dbraw/zinc/33/20/42/1375332042.db2.gz ZPYVTSPCFJWEMU-PKOBYXMFSA-N 2 1 348.535 3.377 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC(C)C)C1 ZINC001132366281 1375332045 /nfs/dbraw/zinc/33/20/45/1375332045.db2.gz ZPYVTSPCFJWEMU-PKOBYXMFSA-N 2 1 348.535 3.377 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001132376130 1375338646 /nfs/dbraw/zinc/33/86/46/1375338646.db2.gz JRRKHKIQOFJNHL-PKOBYXMFSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132375253 1375339107 /nfs/dbraw/zinc/33/91/07/1375339107.db2.gz CCYATQHAGCCEOO-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001132375626 1375339746 /nfs/dbraw/zinc/33/97/46/1375339746.db2.gz GGDOSEOICFEEAF-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cc(C)ccc2C)C1 ZINC001132409670 1375359042 /nfs/dbraw/zinc/35/90/42/1375359042.db2.gz COZBIGOKSDVCMQ-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C)ccc2C)C1 ZINC001132409670 1375359045 /nfs/dbraw/zinc/35/90/45/1375359045.db2.gz COZBIGOKSDVCMQ-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001132409670 1375359047 /nfs/dbraw/zinc/35/90/47/1375359047.db2.gz COZBIGOKSDVCMQ-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC)C1 ZINC001132420276 1375369760 /nfs/dbraw/zinc/36/97/60/1375369760.db2.gz PVUPNNUCYJFRIC-ROUUACIJSA-N 2 1 325.541 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cccc(C)c2)C1 ZINC001132436264 1375381631 /nfs/dbraw/zinc/38/16/31/1375381631.db2.gz JRPYDWZHMIVVAT-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cccc(C)c2)C1 ZINC001132436264 1375381634 /nfs/dbraw/zinc/38/16/34/1375381634.db2.gz JRPYDWZHMIVVAT-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(C)c2)C1 ZINC001132436264 1375381637 /nfs/dbraw/zinc/38/16/37/1375381637.db2.gz JRPYDWZHMIVVAT-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132441269 1375385014 /nfs/dbraw/zinc/38/50/14/1375385014.db2.gz MSMOSLKWXBPJJW-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001132441269 1375385021 /nfs/dbraw/zinc/38/50/21/1375385021.db2.gz MSMOSLKWXBPJJW-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001132441269 1375385028 /nfs/dbraw/zinc/38/50/28/1375385028.db2.gz MSMOSLKWXBPJJW-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001227224314 1375408815 /nfs/dbraw/zinc/40/88/15/1375408815.db2.gz CJXVBNMBMOODOW-QRVBRYPASA-N 2 1 337.552 3.314 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[N@H+]1CC1CCC1 ZINC001132493176 1375423580 /nfs/dbraw/zinc/42/35/80/1375423580.db2.gz JXEVWXCCGBQKQP-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CC1CCCCC1 ZINC001132523875 1375439711 /nfs/dbraw/zinc/43/97/11/1375439711.db2.gz BJMNYJORIKCOBW-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001132524441 1375440835 /nfs/dbraw/zinc/44/08/35/1375440835.db2.gz GZDNCHVNDVJCRG-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548484 1375454264 /nfs/dbraw/zinc/45/42/64/1375454264.db2.gz DOSMGPIYCARJPA-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP CC(C)CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001227791359 1375474487 /nfs/dbraw/zinc/47/44/87/1375474487.db2.gz CQOYXVKXKVCKDY-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC001228040069 1375509428 /nfs/dbraw/zinc/50/94/28/1375509428.db2.gz QWKIMMYLSTUUPV-HNNXBMFYSA-N 2 1 349.494 3.198 20 0 EGADMP CCc1ccccc1C[NH+]1CCC(NC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001228053319 1375512422 /nfs/dbraw/zinc/51/24/22/1375512422.db2.gz DGXKSCYUCLQVET-UHFFFAOYSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001132739838 1375539531 /nfs/dbraw/zinc/53/95/31/1375539531.db2.gz WEESZDJOIYSFMX-RTBURBONSA-N 2 1 345.531 3.192 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC[NH+](CCCC(C)C)CC2)C1 ZINC001228801224 1375681696 /nfs/dbraw/zinc/68/16/96/1375681696.db2.gz LGVJKTUSCFQLCW-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133122484 1375787434 /nfs/dbraw/zinc/78/74/34/1375787434.db2.gz RNJJPMGNFYNVJR-MSOLQXFVSA-N 2 1 339.568 3.085 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133142888 1375804318 /nfs/dbraw/zinc/80/43/18/1375804318.db2.gz PWEFLLOROMAVJA-ZWKOTPCHSA-N 2 1 348.535 3.271 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC001229524106 1375851186 /nfs/dbraw/zinc/85/11/86/1375851186.db2.gz OFSCYXMQDLKQIV-VAMGGRTRSA-N 2 1 343.515 3.033 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001133224771 1375853005 /nfs/dbraw/zinc/85/30/05/1375853005.db2.gz DUKQDPMMOMNFAF-FAPWYTRCSA-N 2 1 337.552 3.149 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001229837189 1375901433 /nfs/dbraw/zinc/90/14/33/1375901433.db2.gz ADLORRXWAJTFDA-RTBURBONSA-N 2 1 337.552 3.316 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CC)cc1 ZINC001229868932 1375908610 /nfs/dbraw/zinc/90/86/10/1375908610.db2.gz QBVRBYFTQDFOCA-WOJBJXKFSA-N 2 1 345.531 3.108 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C(C)C)CC1 ZINC001230112853 1375946153 /nfs/dbraw/zinc/94/61/53/1375946153.db2.gz CYGKFDMPFATMFB-UHFFFAOYSA-N 2 1 345.531 3.232 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CF)cc1 ZINC001230280141 1375982257 /nfs/dbraw/zinc/98/22/57/1375982257.db2.gz OVRVMXKQYSOZHD-RTBURBONSA-N 2 1 349.494 3.013 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC(C)CC1 ZINC001230284461 1375985118 /nfs/dbraw/zinc/98/51/18/1375985118.db2.gz GFLNUPNMJZLHST-CSODTCANSA-N 2 1 337.552 3.170 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001230621940 1376105131 /nfs/dbraw/zinc/10/51/31/1376105131.db2.gz JCIAJNXKNJCDLH-HZQHCPKGSA-N 2 1 347.547 3.142 20 0 EGADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2cccc(C[NH3+])c2)c1 ZINC001327180504 1388427798 /nfs/dbraw/zinc/42/77/98/1388427798.db2.gz IBLJVEUCFYQHCG-FQEVSTJZSA-N 2 1 337.467 3.447 20 0 EGADMP c1cc2cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ncc2[nH]1 ZINC001231668864 1376299894 /nfs/dbraw/zinc/29/98/94/1376299894.db2.gz MEXFZCGGQCFHAG-OALUTQOASA-N 2 1 332.451 3.127 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c1 ZINC001232145817 1376409145 /nfs/dbraw/zinc/40/91/45/1376409145.db2.gz BIXTXCJTYZAGGB-HXUWFJFHSA-N 2 1 327.447 3.489 20 0 EGADMP CCn1c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)nc2c1cccc2F ZINC001327206051 1388443620 /nfs/dbraw/zinc/44/36/20/1388443620.db2.gz KSIRJGDZHYOFCM-UHFFFAOYSA-N 2 1 330.451 3.161 20 0 EGADMP Cc1cc(O)cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001232879596 1376528306 /nfs/dbraw/zinc/52/83/06/1376528306.db2.gz CEVOOQVPUQJJJV-UXHICEINSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1cc(O)cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001232879596 1376528309 /nfs/dbraw/zinc/52/83/09/1376528309.db2.gz CEVOOQVPUQJJJV-UXHICEINSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1cc(O)cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001232879596 1376528312 /nfs/dbraw/zinc/52/83/12/1376528312.db2.gz CEVOOQVPUQJJJV-UXHICEINSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1cc(O)cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001232879596 1376528313 /nfs/dbraw/zinc/52/83/13/1376528313.db2.gz CEVOOQVPUQJJJV-UXHICEINSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001134765979 1376710337 /nfs/dbraw/zinc/71/03/37/1376710337.db2.gz BRHCHTAGHYDLAZ-QUCCMNQESA-N 2 1 345.531 3.333 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001134765930 1376710481 /nfs/dbraw/zinc/71/04/81/1376710481.db2.gz AOHJALPSGAIYDU-IEBWSBKVSA-N 2 1 331.504 3.025 20 0 EGADMP CN(CCC[N@@H+](C)CC1CCC1)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001327251737 1388463812 /nfs/dbraw/zinc/46/38/12/1388463812.db2.gz LCYSYWLJMXPCQT-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CCC[NH+](C)CC1CCC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001327251737 1388463816 /nfs/dbraw/zinc/46/38/16/1388463816.db2.gz LCYSYWLJMXPCQT-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CCC[NH+](C)CC1CCC1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001327251737 1388463821 /nfs/dbraw/zinc/46/38/21/1388463821.db2.gz LCYSYWLJMXPCQT-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235031208 1376831503 /nfs/dbraw/zinc/83/15/03/1376831503.db2.gz DQGQUEGFUDTDSQ-JOCHJYFZSA-N 2 1 346.478 3.495 20 0 EGADMP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235031208 1376831526 /nfs/dbraw/zinc/83/15/26/1376831526.db2.gz DQGQUEGFUDTDSQ-JOCHJYFZSA-N 2 1 346.478 3.495 20 0 EGADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(Cl)cc1Cl ZINC001235038353 1376837382 /nfs/dbraw/zinc/83/73/82/1376837382.db2.gz HAQSOVGWYYODRP-MLGOLLRUSA-N 2 1 329.271 3.112 20 0 EGADMP COc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235254022 1376863858 /nfs/dbraw/zinc/86/38/58/1376863858.db2.gz HPGMEPZVINMSMT-BJLQDIEVSA-N 2 1 338.451 3.196 20 0 EGADMP COc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235254022 1376863865 /nfs/dbraw/zinc/86/38/65/1376863865.db2.gz HPGMEPZVINMSMT-BJLQDIEVSA-N 2 1 338.451 3.196 20 0 EGADMP CN(C)c1ccnc(Cl)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235428606 1376869479 /nfs/dbraw/zinc/86/94/79/1376869479.db2.gz QVFREQWIAGPSPA-LSDHHAIUSA-N 2 1 336.911 3.013 20 0 EGADMP CC(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135077364 1376882633 /nfs/dbraw/zinc/88/26/33/1376882633.db2.gz NVHOWTCLTUPXMA-SJORKVTESA-N 2 1 325.541 3.170 20 0 EGADMP Fc1ccccc1[C@@H]1CC[N@@H+](Cc2ccccc2N2CC[NH2+]CC2)C1 ZINC001235726861 1376886481 /nfs/dbraw/zinc/88/64/81/1376886481.db2.gz QNMJCEUZBWFKLR-QGZVFWFLSA-N 2 1 339.458 3.225 20 0 EGADMP CC(C)C[C@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCN1 ZINC001235877942 1376908259 /nfs/dbraw/zinc/90/82/59/1376908259.db2.gz FOCZJZBKTNJTPA-NRFANRHFSA-N 2 1 329.532 3.219 20 0 EGADMP CC(C)C[C@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCN1 ZINC001235877942 1376908271 /nfs/dbraw/zinc/90/82/71/1376908271.db2.gz FOCZJZBKTNJTPA-NRFANRHFSA-N 2 1 329.532 3.219 20 0 EGADMP Fc1ccc(CN2CCC[N@@H+](CC3CC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC001235885836 1376911205 /nfs/dbraw/zinc/91/12/05/1376911205.db2.gz ZVRPCBOJCBNZLD-UHFFFAOYSA-N 2 1 345.506 3.113 20 0 EGADMP C[N@H+](Cc1cccc(N2CC[NH2+]CC2)c1)Cc1cccc(F)c1F ZINC001236240920 1376945038 /nfs/dbraw/zinc/94/50/38/1376945038.db2.gz ONSDAEGUPFONES-UHFFFAOYSA-N 2 1 331.410 3.006 20 0 EGADMP C[N@@H+](Cc1cccc(N2CC[NH2+]CC2)c1)Cc1cccc(F)c1F ZINC001236240920 1376945048 /nfs/dbraw/zinc/94/50/48/1376945048.db2.gz ONSDAEGUPFONES-UHFFFAOYSA-N 2 1 331.410 3.006 20 0 EGADMP CCC[N@H+](Cc1ccc(OCc2ccccc2)nc1)C[C@@H]1CC[NH2+]C1 ZINC001236842961 1376965789 /nfs/dbraw/zinc/96/57/89/1376965789.db2.gz IKOIGFVXJSISHV-HXUWFJFHSA-N 2 1 339.483 3.482 20 0 EGADMP CCC[N@H+](Cc1ccc(Br)c(OC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236844598 1376966845 /nfs/dbraw/zinc/96/68/45/1376966845.db2.gz WPGAGCBKBMOOPY-CQSZACIVSA-N 2 1 341.293 3.279 20 0 EGADMP CCC[N@@H+](Cc1cccc(OC)c1OCC1CC1)C[C@@H]1CC[NH2+]C1 ZINC001236844217 1376967038 /nfs/dbraw/zinc/96/70/38/1376967038.db2.gz QBTAKGYIUOZKLB-QGZVFWFLSA-N 2 1 332.488 3.306 20 0 EGADMP CCC[N@H+](Cc1cccc(OC)c1OCC1CC1)C[C@@H]1CC[NH2+]C1 ZINC001236844217 1376967041 /nfs/dbraw/zinc/96/70/41/1376967041.db2.gz QBTAKGYIUOZKLB-QGZVFWFLSA-N 2 1 332.488 3.306 20 0 EGADMP Clc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCCC[C@@]13C[NH2+]CCO3)C2 ZINC001246160497 1377050431 /nfs/dbraw/zinc/05/04/31/1377050431.db2.gz NGKQAXKUCXCCKS-GUDVDZBRSA-N 2 1 334.891 3.088 20 0 EGADMP [NH3+]C1CCC([N@H+]([C@@H]2C[C@H]2c2ccccc2)[C@@H]2CCCCNC2)CC1 ZINC001246292447 1377051309 /nfs/dbraw/zinc/05/13/09/1377051309.db2.gz WBIHYCYXVVPOKC-PTAFHAGTSA-N 2 1 327.516 3.257 20 0 EGADMP [NH3+]C1CCC([N@@H+]([C@@H]2C[C@H]2c2ccccc2)[C@@H]2CCCCNC2)CC1 ZINC001246292447 1377051311 /nfs/dbraw/zinc/05/13/11/1377051311.db2.gz WBIHYCYXVVPOKC-PTAFHAGTSA-N 2 1 327.516 3.257 20 0 EGADMP C(C1CCCCC1)N1CC[NH+](C2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001246542704 1377052537 /nfs/dbraw/zinc/05/25/37/1377052537.db2.gz XLJJTLSYCKEDHC-UHFFFAOYSA-N 2 1 333.564 3.497 20 0 EGADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C3)c1 ZINC001246717471 1377053403 /nfs/dbraw/zinc/05/34/03/1377053403.db2.gz ACRKAMGCNFWOSR-PBASOCQRSA-N 2 1 343.515 3.149 20 0 EGADMP CCCC[C@H]1C[C@H]([N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246749136 1377054042 /nfs/dbraw/zinc/05/40/42/1377054042.db2.gz VIFRBOWKESETNH-CIRFHOKZSA-N 2 1 347.528 3.239 20 0 EGADMP CC(C)(C)[C@H]1C[C@H]([N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246747806 1377054301 /nfs/dbraw/zinc/05/43/01/1377054301.db2.gz RXOKLLKPXRKSQY-XLNGHYISSA-N 2 1 347.528 3.094 20 0 EGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cncn2Cc2ccccc2Cl)CC1 ZINC001254511460 1377105142 /nfs/dbraw/zinc/10/51/42/1377105142.db2.gz ACOIJSYPZPUHMT-INIZCTEOSA-N 2 1 332.879 3.159 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cncn2Cc2ccccc2Cl)CC1 ZINC001254511460 1377105146 /nfs/dbraw/zinc/10/51/46/1377105146.db2.gz ACOIJSYPZPUHMT-INIZCTEOSA-N 2 1 332.879 3.159 20 0 EGADMP COc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)CC2)c1OC ZINC001254508795 1377105498 /nfs/dbraw/zinc/10/54/98/1377105498.db2.gz MHJAQCXHDRMSDR-GXTWGEPZSA-N 2 1 326.868 3.492 20 0 EGADMP COc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1OC ZINC001254508795 1377105501 /nfs/dbraw/zinc/10/55/01/1377105501.db2.gz MHJAQCXHDRMSDR-GXTWGEPZSA-N 2 1 326.868 3.492 20 0 EGADMP COC(=O)c1ccc(C2CC[NH+]([C@H]3CCC[N@@H+](C)CC3)CC2)cc1 ZINC001254526778 1377106984 /nfs/dbraw/zinc/10/69/84/1377106984.db2.gz UOIVLCSBTXRAHI-IBGZPJMESA-N 2 1 330.472 3.137 20 0 EGADMP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+]2CCC(C)(C)C2)cc1 ZINC001135468154 1377107598 /nfs/dbraw/zinc/10/75/98/1377107598.db2.gz MZTSKVHEJGYKMJ-ROUUACIJSA-N 2 1 345.531 3.100 20 0 EGADMP CCOC(=O)C1CCC(N(c2cccc(C)[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001255265945 1377110025 /nfs/dbraw/zinc/11/00/25/1377110025.db2.gz BVJRSWRERXQUMB-UHFFFAOYSA-N 2 1 345.487 3.070 20 0 EGADMP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135480331 1377112312 /nfs/dbraw/zinc/11/23/12/1377112312.db2.gz ASZOQDGABKNEPR-IAGOWNOFSA-N 2 1 327.557 3.418 20 0 EGADMP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135601598 1377159603 /nfs/dbraw/zinc/15/96/03/1377159603.db2.gz WKITZRSVNLJQQK-IRXDYDNUSA-N 2 1 336.524 3.460 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC=C(C)C ZINC001135690327 1377184516 /nfs/dbraw/zinc/18/45/16/1377184516.db2.gz GMLHDZGYNHNZLP-ZWKOTPCHSA-N 2 1 325.541 3.338 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC1 ZINC001135691633 1377185666 /nfs/dbraw/zinc/18/56/66/1377185666.db2.gz XTTVNSUISVTQTK-SJORKVTESA-N 2 1 325.541 3.172 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135860825 1377238296 /nfs/dbraw/zinc/23/82/96/1377238296.db2.gz HZMFIEDQOLBKGD-ZWKOTPCHSA-N 2 1 333.520 3.018 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001135861384 1377238637 /nfs/dbraw/zinc/23/86/37/1377238637.db2.gz PZXZREJPKYRZNU-IRXDYDNUSA-N 2 1 345.531 3.279 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266323012 1377273171 /nfs/dbraw/zinc/27/31/71/1377273171.db2.gz SEFVUBMKVKSBEA-PBHICJAKSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266323012 1377273174 /nfs/dbraw/zinc/27/31/74/1377273174.db2.gz SEFVUBMKVKSBEA-PBHICJAKSA-N 2 1 349.906 3.076 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001135977789 1377285003 /nfs/dbraw/zinc/28/50/03/1377285003.db2.gz ZFUQWTQHKILWNO-CVEARBPZSA-N 2 1 345.487 3.148 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCc1ccc(CC)cc1 ZINC001135980302 1377286239 /nfs/dbraw/zinc/28/62/39/1377286239.db2.gz NIYQNQFNMFQWES-QZTJIDSGSA-N 2 1 347.547 3.006 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1CC ZINC001135992890 1377291460 /nfs/dbraw/zinc/29/14/60/1377291460.db2.gz WDMPRIHSOYSFKC-ROUUACIJSA-N 2 1 347.547 3.354 20 0 EGADMP CCCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001270125370 1377595095 /nfs/dbraw/zinc/59/50/95/1377595095.db2.gz XPGJTPYMLRGZIH-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)CC(C)(C)C ZINC001137727812 1377606197 /nfs/dbraw/zinc/60/61/97/1377606197.db2.gz RXHYWYJKVIBILM-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3c(C)cccc3C)CC2)C1 ZINC001137852594 1377631082 /nfs/dbraw/zinc/63/10/82/1377631082.db2.gz IPJIYVKQCPMVOU-GOSISDBHSA-N 2 1 344.499 3.153 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3c(C)cccc3C)CC2)C1 ZINC001137852594 1377631084 /nfs/dbraw/zinc/63/10/84/1377631084.db2.gz IPJIYVKQCPMVOU-GOSISDBHSA-N 2 1 344.499 3.153 20 0 EGADMP Brc1ccc2[nH]cc(C[N@@H+]3CCc4nccn4CC3)c2c1 ZINC001138321886 1377701614 /nfs/dbraw/zinc/70/16/14/1377701614.db2.gz NCMVNUBMCAPIMH-UHFFFAOYSA-N 2 1 345.244 3.185 20 0 EGADMP Brc1ccc2[nH]cc(CN3CCc4nccn4CC3)c2c1 ZINC001138321886 1377701616 /nfs/dbraw/zinc/70/16/16/1377701616.db2.gz NCMVNUBMCAPIMH-UHFFFAOYSA-N 2 1 345.244 3.185 20 0 EGADMP Cc1nnc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4C)cc3)CC2)o1 ZINC001138548484 1377739435 /nfs/dbraw/zinc/73/94/35/1377739435.db2.gz FJNPCJPGXPQMSZ-UHFFFAOYSA-N 2 1 337.427 3.252 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)nn1C ZINC001138827462 1377792683 /nfs/dbraw/zinc/79/26/83/1377792683.db2.gz YFIRFIGYYGSSGK-UHFFFAOYSA-N 2 1 344.528 3.278 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001138850742 1377794758 /nfs/dbraw/zinc/79/47/58/1377794758.db2.gz KKBAGZJPKUPRQK-MRXNPFEDSA-N 2 1 344.377 3.121 20 0 EGADMP CN1CCC([N@@H+](C)Cc2cc3cc(Br)ccc3[nH]2)CC1 ZINC001139183310 1377845558 /nfs/dbraw/zinc/84/55/58/1377845558.db2.gz KGFOGIACQQENAL-UHFFFAOYSA-N 2 1 336.277 3.456 20 0 EGADMP CN(Cc1cc2cc(Br)ccc2[nH]1)C1CC[NH+](C)CC1 ZINC001139183310 1377845561 /nfs/dbraw/zinc/84/55/61/1377845561.db2.gz KGFOGIACQQENAL-UHFFFAOYSA-N 2 1 336.277 3.456 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC4(CCCC4)C3)s2)CC1 ZINC001139321676 1377867538 /nfs/dbraw/zinc/86/75/38/1377867538.db2.gz KFWKJYLMKUGLSR-UHFFFAOYSA-N 2 1 334.533 3.051 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC4(CCCC4)C3)s2)CC1 ZINC001139321676 1377867539 /nfs/dbraw/zinc/86/75/39/1377867539.db2.gz KFWKJYLMKUGLSR-UHFFFAOYSA-N 2 1 334.533 3.051 20 0 EGADMP CCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1ccccc1 ZINC001139324246 1377868924 /nfs/dbraw/zinc/86/89/24/1377868924.db2.gz UCYNYRHBMWSYKU-UHFFFAOYSA-N 2 1 344.528 3.307 20 0 EGADMP CCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1ccccc1 ZINC001139324246 1377868925 /nfs/dbraw/zinc/86/89/25/1377868925.db2.gz UCYNYRHBMWSYKU-UHFFFAOYSA-N 2 1 344.528 3.307 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139324010 1377868977 /nfs/dbraw/zinc/86/89/77/1377868977.db2.gz WBQYXBIOYGYCSJ-SFHVURJKSA-N 2 1 344.528 3.478 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139324010 1377868978 /nfs/dbraw/zinc/86/89/78/1377868978.db2.gz WBQYXBIOYGYCSJ-SFHVURJKSA-N 2 1 344.528 3.478 20 0 EGADMP c1ncn(-c2ccccc2C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001139421700 1377881830 /nfs/dbraw/zinc/88/18/30/1377881830.db2.gz ZNDIHYQMTPAVES-LJQANCHMSA-N 2 1 339.487 3.108 20 0 EGADMP O=c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c[nH]1 ZINC001139471489 1377890478 /nfs/dbraw/zinc/89/04/78/1377890478.db2.gz XRTXYQDUNDBPSD-UXHICEINSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c[nH]1 ZINC001139471489 1377890479 /nfs/dbraw/zinc/89/04/79/1377890479.db2.gz XRTXYQDUNDBPSD-UXHICEINSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c[nH]1 ZINC001139471489 1377890480 /nfs/dbraw/zinc/89/04/80/1377890480.db2.gz XRTXYQDUNDBPSD-UXHICEINSA-N 2 1 337.467 3.131 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(Cc3cccnn3)C[C@H]21 ZINC001139972438 1377985216 /nfs/dbraw/zinc/98/52/16/1377985216.db2.gz OKSYMIGSYWSDSQ-ATZDWAIDSA-N 2 1 342.512 3.271 20 0 EGADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccnn3)C[C@H]21 ZINC001139972438 1377985219 /nfs/dbraw/zinc/98/52/19/1377985219.db2.gz OKSYMIGSYWSDSQ-ATZDWAIDSA-N 2 1 342.512 3.271 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccnn3)C[C@H]21 ZINC001139972438 1377985222 /nfs/dbraw/zinc/98/52/22/1377985222.db2.gz OKSYMIGSYWSDSQ-ATZDWAIDSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccnn3)C[C@H]21 ZINC001139972438 1377985225 /nfs/dbraw/zinc/98/52/25/1377985225.db2.gz OKSYMIGSYWSDSQ-ATZDWAIDSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccnn3)C[C@H]21 ZINC001139972438 1377985228 /nfs/dbraw/zinc/98/52/28/1377985228.db2.gz OKSYMIGSYWSDSQ-ATZDWAIDSA-N 2 1 342.512 3.271 20 0 EGADMP Oc1cccc2[nH]cc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c21 ZINC001140235748 1378035315 /nfs/dbraw/zinc/03/53/15/1378035315.db2.gz OOGONLOIJPPAGP-KDURUIRLSA-N 2 1 347.462 3.437 20 0 EGADMP Oc1cccc2[nH]cc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c21 ZINC001140235748 1378035316 /nfs/dbraw/zinc/03/53/16/1378035316.db2.gz OOGONLOIJPPAGP-KDURUIRLSA-N 2 1 347.462 3.437 20 0 EGADMP Oc1cccc2[nH]cc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)c21 ZINC001140235748 1378035317 /nfs/dbraw/zinc/03/53/17/1378035317.db2.gz OOGONLOIJPPAGP-KDURUIRLSA-N 2 1 347.462 3.437 20 0 EGADMP Oc1cccc2[nH]cc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)c21 ZINC001140235748 1378035318 /nfs/dbraw/zinc/03/53/18/1378035318.db2.gz OOGONLOIJPPAGP-KDURUIRLSA-N 2 1 347.462 3.437 20 0 EGADMP Oc1cnccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140278608 1378040417 /nfs/dbraw/zinc/04/04/17/1378040417.db2.gz GTYMWDGZRMGDHQ-RTBURBONSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cnccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140278608 1378040421 /nfs/dbraw/zinc/04/04/21/1378040421.db2.gz GTYMWDGZRMGDHQ-RTBURBONSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cnccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140278608 1378040426 /nfs/dbraw/zinc/04/04/26/1378040426.db2.gz GTYMWDGZRMGDHQ-RTBURBONSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cnccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140278608 1378040432 /nfs/dbraw/zinc/04/04/32/1378040432.db2.gz GTYMWDGZRMGDHQ-RTBURBONSA-N 2 1 337.467 3.131 20 0 EGADMP Cc1ccc(F)cc1CN1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001140590397 1378091532 /nfs/dbraw/zinc/09/15/32/1378091532.db2.gz HPOFTHPUIHMOIR-KDURUIRLSA-N 2 1 325.431 3.093 20 0 EGADMP Cc1ccc(F)cc1CN1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001140590397 1378091536 /nfs/dbraw/zinc/09/15/36/1378091536.db2.gz HPOFTHPUIHMOIR-KDURUIRLSA-N 2 1 325.431 3.093 20 0 EGADMP CCCC[C@H](CC)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC1)CC2 ZINC001273364105 1378100121 /nfs/dbraw/zinc/10/01/21/1378100121.db2.gz WIHPSHUSGPENLF-IBGZPJMESA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[C@H](CC)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC1)CC2 ZINC001273364105 1378100123 /nfs/dbraw/zinc/10/01/23/1378100123.db2.gz WIHPSHUSGPENLF-IBGZPJMESA-N 2 1 349.563 3.223 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)c(C)c1 ZINC001274643206 1378131648 /nfs/dbraw/zinc/13/16/48/1378131648.db2.gz IJSUWBGLHHCTMB-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccccc1C(F)F)C2 ZINC001275391188 1378139008 /nfs/dbraw/zinc/13/90/08/1378139008.db2.gz HGDFQYCXJFTCIQ-UHFFFAOYSA-N 2 1 337.458 3.084 20 0 EGADMP c1cc(C[N@@H+]2CCC[C@]3(CCCN(Cc4cn[nH]c4)C3)C2)cs1 ZINC001275866992 1378160434 /nfs/dbraw/zinc/16/04/34/1378160434.db2.gz WHBWKFIYOLTTBO-SFHVURJKSA-N 2 1 330.501 3.349 20 0 EGADMP c1cc(CN2CCC[C@]3(CCC[N@H+](Cc4cn[nH]c4)C3)C2)cs1 ZINC001275866992 1378160437 /nfs/dbraw/zinc/16/04/37/1378160437.db2.gz WHBWKFIYOLTTBO-SFHVURJKSA-N 2 1 330.501 3.349 20 0 EGADMP Cc1ccc([C@@H](C)CC[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)o1 ZINC001276470205 1378174172 /nfs/dbraw/zinc/17/41/72/1378174172.db2.gz LLSPZKPWZWUXDO-INIZCTEOSA-N 2 1 342.487 3.403 20 0 EGADMP C[NH+]1CC2(C1)CCCN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C2 ZINC001276492814 1378176087 /nfs/dbraw/zinc/17/60/87/1378176087.db2.gz ZMZVHEXGUUDHJF-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP Cc1csc(C[NH+]2CCC3(C[NH+](Cc4cccc(=O)[nH]4)C3)CC2)c1 ZINC001276776928 1378187388 /nfs/dbraw/zinc/18/73/88/1378187388.db2.gz HWYASXIVKBSDEF-UHFFFAOYSA-N 2 1 343.496 3.255 20 0 EGADMP C[N@@H+](Cc1ccn2ccnc2c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001141046127 1378219070 /nfs/dbraw/zinc/21/90/70/1378219070.db2.gz NBWPPFRYYSFTLC-FQEVSTJZSA-N 2 1 334.467 3.288 20 0 EGADMP C[N@H+](Cc1ccn2ccnc2c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001141046127 1378219074 /nfs/dbraw/zinc/21/90/74/1378219074.db2.gz NBWPPFRYYSFTLC-FQEVSTJZSA-N 2 1 334.467 3.288 20 0 EGADMP C[NH+](Cc1ccn2ccnc2c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001141046127 1378219077 /nfs/dbraw/zinc/21/90/77/1378219077.db2.gz NBWPPFRYYSFTLC-FQEVSTJZSA-N 2 1 334.467 3.288 20 0 EGADMP C[NH+](Cc1ccn2ccnc2c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001141046127 1378219080 /nfs/dbraw/zinc/21/90/80/1378219080.db2.gz NBWPPFRYYSFTLC-FQEVSTJZSA-N 2 1 334.467 3.288 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@]2(C1)CCC[NH+](CCCC1CCC1)C2 ZINC001277473273 1378226655 /nfs/dbraw/zinc/22/66/55/1378226655.db2.gz BOBOTYRWXWCARF-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@]3(CCC[C@@H]3C(=O)NC(C)(C)C)C2)CC1 ZINC001278021934 1378255085 /nfs/dbraw/zinc/25/50/85/1378255085.db2.gz OBSNMJCHKSVSPH-UTKZUKDTSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCCC[C@@H]2C)c1C ZINC001141563666 1378344921 /nfs/dbraw/zinc/34/49/21/1378344921.db2.gz OOVZYAJITORZAD-HNNXBMFYSA-N 2 1 348.535 3.078 20 0 EGADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCCC2(C)C)c1C ZINC001141565109 1378345305 /nfs/dbraw/zinc/34/53/05/1378345305.db2.gz UENPOBFHWYDTCH-UHFFFAOYSA-N 2 1 348.535 3.078 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCC1 ZINC001280546079 1378354006 /nfs/dbraw/zinc/35/40/06/1378354006.db2.gz VROHVKWBLWQIOQ-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP CCc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC001280848147 1378385794 /nfs/dbraw/zinc/38/57/94/1378385794.db2.gz IKVLFRMYDXSYAY-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccc(C[NH+](C)CCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001280848147 1378385799 /nfs/dbraw/zinc/38/57/99/1378385799.db2.gz IKVLFRMYDXSYAY-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccc(C[NH+](C)CCCN(C)C(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001280848147 1378385806 /nfs/dbraw/zinc/38/58/06/1378385806.db2.gz IKVLFRMYDXSYAY-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001142623356 1378465849 /nfs/dbraw/zinc/46/58/49/1378465849.db2.gz ZKNZRGXNKWUWBG-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP COc1cc(C)c(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c(C)c1 ZINC001142941311 1378514499 /nfs/dbraw/zinc/51/44/99/1378514499.db2.gz DNPHAXNYEFAGQY-UHFFFAOYSA-N 2 1 346.515 3.387 20 0 EGADMP COc1cc(C)c(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c(C)c1 ZINC001142941311 1378514502 /nfs/dbraw/zinc/51/45/02/1378514502.db2.gz DNPHAXNYEFAGQY-UHFFFAOYSA-N 2 1 346.515 3.387 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccn5ccnc45)C[C@@H]3C2)cc1 ZINC001142952332 1378515894 /nfs/dbraw/zinc/51/58/94/1378515894.db2.gz OFJFDEIZXRAVON-SFTDATJTSA-N 2 1 346.478 3.207 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@H]2CCCCC[N@H+]2CC2CCCC2)CCC1 ZINC001282668230 1378541402 /nfs/dbraw/zinc/54/14/02/1378541402.db2.gz VYABGDSIFSNSCA-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1cccc(CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001146594250 1378873045 /nfs/dbraw/zinc/87/30/45/1378873045.db2.gz SDFPLXSTXRIDIK-MOPGFXCFSA-N 2 1 347.547 3.141 20 0 EGADMP CCCc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001146593848 1378873248 /nfs/dbraw/zinc/87/32/48/1378873248.db2.gz QQISHEBFJLBJSA-ROUUACIJSA-N 2 1 347.547 3.352 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001146711496 1378905008 /nfs/dbraw/zinc/90/50/08/1378905008.db2.gz TZWJRBGBGDTKTK-INIZCTEOSA-N 2 1 333.520 3.093 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148458403 1379175968 /nfs/dbraw/zinc/17/59/68/1379175968.db2.gz PRFNBDDJCWNPNC-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001148777134 1379266240 /nfs/dbraw/zinc/26/62/40/1379266240.db2.gz ANXGFAUKQHCLKX-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP c1nn(Cc2ccccc2)c2c1[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC001327838073 1388603532 /nfs/dbraw/zinc/60/35/32/1388603532.db2.gz DLPIPVMBJZHRGH-NHJHPMQKSA-N 2 1 336.483 3.181 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@H+]1CCCC1CCC1 ZINC001284128597 1379506971 /nfs/dbraw/zinc/50/69/71/1379506971.db2.gz NEVZDZQIAHSMKK-APWZRJJASA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCC[NH+]1CCCC1CCC1 ZINC001284128597 1379506972 /nfs/dbraw/zinc/50/69/72/1379506972.db2.gz NEVZDZQIAHSMKK-APWZRJJASA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCC[NH+]1CCCC1CCC1 ZINC001284128597 1379506976 /nfs/dbraw/zinc/50/69/76/1379506976.db2.gz NEVZDZQIAHSMKK-APWZRJJASA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C)cc2C)[C@H]1C ZINC001284155233 1379551382 /nfs/dbraw/zinc/55/13/82/1379551382.db2.gz UEGOZRVAENYJMJ-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)cc2C)[C@H]1C ZINC001284155233 1379551387 /nfs/dbraw/zinc/55/13/87/1379551387.db2.gz UEGOZRVAENYJMJ-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2C)[C@H]1C ZINC001284155233 1379551391 /nfs/dbraw/zinc/55/13/91/1379551391.db2.gz UEGOZRVAENYJMJ-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001152149313 1379872078 /nfs/dbraw/zinc/87/20/78/1379872078.db2.gz XDAYHZIUIPXDFJ-CALCHBBNSA-N 2 1 343.515 3.033 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001152432902 1379933755 /nfs/dbraw/zinc/93/37/55/1379933755.db2.gz PVYMUTHWFPIOKS-GFCCVEGCSA-N 2 1 346.302 3.100 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCC[NH2+]CCC1CCCCCC1)c1ccccc1 ZINC001152530431 1379945540 /nfs/dbraw/zinc/94/55/40/1379945540.db2.gz WASBMESLNAGJFF-FQEVSTJZSA-N 2 1 345.531 3.356 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313439 1380053939 /nfs/dbraw/zinc/05/39/39/1380053939.db2.gz QVVZXSFYAYIXLK-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CC1CCCCC1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153313439 1380053940 /nfs/dbraw/zinc/05/39/40/1380053940.db2.gz QVVZXSFYAYIXLK-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CC1CCCCC1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153313439 1380053942 /nfs/dbraw/zinc/05/39/42/1380053942.db2.gz QVVZXSFYAYIXLK-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153368486 1380065758 /nfs/dbraw/zinc/06/57/58/1380065758.db2.gz QQTHQBQMDAXXDC-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153485218 1380084058 /nfs/dbraw/zinc/08/40/58/1380084058.db2.gz STDHNCYIINPOSW-ZHALLVOQSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153485218 1380084059 /nfs/dbraw/zinc/08/40/59/1380084059.db2.gz STDHNCYIINPOSW-ZHALLVOQSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153485218 1380084060 /nfs/dbraw/zinc/08/40/60/1380084060.db2.gz STDHNCYIINPOSW-ZHALLVOQSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153819309 1380136816 /nfs/dbraw/zinc/13/68/16/1380136816.db2.gz WCYAOCAFAVNUQU-QZTJIDSGSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](CCC(C)C)[C@H](C)CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001153819309 1380136818 /nfs/dbraw/zinc/13/68/18/1380136818.db2.gz WCYAOCAFAVNUQU-QZTJIDSGSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](CCC(C)C)[C@H](C)CNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001153819309 1380136820 /nfs/dbraw/zinc/13/68/20/1380136820.db2.gz WCYAOCAFAVNUQU-QZTJIDSGSA-N 2 1 325.541 3.122 20 0 EGADMP CCc1cccc(C[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C2CCC2)c1 ZINC001153850809 1380143806 /nfs/dbraw/zinc/14/38/06/1380143806.db2.gz CVPQRABYDDRMHO-QGZVFWFLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001153850809 1380143808 /nfs/dbraw/zinc/14/38/08/1380143808.db2.gz CVPQRABYDDRMHO-QGZVFWFLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001153850809 1380143813 /nfs/dbraw/zinc/14/38/13/1380143813.db2.gz CVPQRABYDDRMHO-QGZVFWFLSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153879897 1380149008 /nfs/dbraw/zinc/14/90/08/1380149008.db2.gz ORJOUBSAVSPZNN-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](Cc1cccc(F)c1)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153879897 1380149010 /nfs/dbraw/zinc/14/90/10/1380149010.db2.gz ORJOUBSAVSPZNN-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](Cc1cccc(F)c1)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153879897 1380149012 /nfs/dbraw/zinc/14/90/12/1380149012.db2.gz ORJOUBSAVSPZNN-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CCC1CCCC1 ZINC001154070178 1380198545 /nfs/dbraw/zinc/19/85/45/1380198545.db2.gz RPECJOIJPZGQJN-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCC1CCCC1)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154070178 1380198546 /nfs/dbraw/zinc/19/85/46/1380198546.db2.gz RPECJOIJPZGQJN-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCC1CCCC1)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154070178 1380198549 /nfs/dbraw/zinc/19/85/49/1380198549.db2.gz RPECJOIJPZGQJN-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154122696 1380212266 /nfs/dbraw/zinc/21/22/66/1380212266.db2.gz HHSOMLHIDPLFHI-UYAOXDASSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001154122696 1380212267 /nfs/dbraw/zinc/21/22/67/1380212267.db2.gz HHSOMLHIDPLFHI-UYAOXDASSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001154122696 1380212268 /nfs/dbraw/zinc/21/22/68/1380212268.db2.gz HHSOMLHIDPLFHI-UYAOXDASSA-N 2 1 349.563 3.434 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154122693 1380212500 /nfs/dbraw/zinc/21/25/00/1380212500.db2.gz HHSOMLHIDPLFHI-QUCCMNQESA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001154122693 1380212502 /nfs/dbraw/zinc/21/25/02/1380212502.db2.gz HHSOMLHIDPLFHI-QUCCMNQESA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001154122693 1380212504 /nfs/dbraw/zinc/21/25/04/1380212504.db2.gz HHSOMLHIDPLFHI-QUCCMNQESA-N 2 1 349.563 3.434 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154123369 1380213228 /nfs/dbraw/zinc/21/32/28/1380213228.db2.gz WQZYVHVTOLARJZ-MSOLQXFVSA-N 2 1 339.568 3.370 20 0 EGADMP CC[NH+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001154123369 1380213231 /nfs/dbraw/zinc/21/32/31/1380213231.db2.gz WQZYVHVTOLARJZ-MSOLQXFVSA-N 2 1 339.568 3.370 20 0 EGADMP CC[NH+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001154123369 1380213233 /nfs/dbraw/zinc/21/32/33/1380213233.db2.gz WQZYVHVTOLARJZ-MSOLQXFVSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@@H+](CC1CCC(C)CC1)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167727 1380219790 /nfs/dbraw/zinc/21/97/90/1380219790.db2.gz RMPZWWUUCXWTOH-JLAWEPINSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154347962 1380261243 /nfs/dbraw/zinc/26/12/43/1380261243.db2.gz PYHSDZQZQJPBOS-MRXNPFEDSA-N 2 1 330.476 3.355 20 0 EGADMP CC[N@@H+](Cc1cc2ccccc2s1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999866 1380388080 /nfs/dbraw/zinc/38/80/80/1380388080.db2.gz QUZCMNRTPFGLEC-OAHLLOKOSA-N 2 1 347.528 3.180 20 0 EGADMP CC[N@@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155017194 1380392368 /nfs/dbraw/zinc/39/23/68/1380392368.db2.gz RHAUBPJDAVDKJZ-QGZVFWFLSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-n2cncc2C2CC[NH2+]CC2)nc1 ZINC001155062510 1380401177 /nfs/dbraw/zinc/40/11/77/1380401177.db2.gz DGJZZHQVJSAZAY-GOSISDBHSA-N 2 1 339.487 3.281 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1C1CC1)[NH+](C)C ZINC001155288881 1380433634 /nfs/dbraw/zinc/43/36/34/1380433634.db2.gz DMDYSERXQOAZTE-UZLBHIALSA-N 2 1 345.531 3.231 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCC1CCCCC1)[NH+](C)C ZINC001155288873 1380433681 /nfs/dbraw/zinc/43/36/81/1380433681.db2.gz DCMMQUTXRZGYMX-AEFFLSMTSA-N 2 1 325.541 3.124 20 0 EGADMP COc1cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)[nH+]c2ccccc21 ZINC001155457769 1380456086 /nfs/dbraw/zinc/45/60/86/1380456086.db2.gz BQIMKPSAHOXEBL-OAHLLOKOSA-N 2 1 336.439 3.267 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001155611481 1380473490 /nfs/dbraw/zinc/47/34/90/1380473490.db2.gz FYNDGUFUJSZYAH-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@H+]1CCC[C@H](CN[C@H](C)c2cncc(Br)c2)C1 ZINC001328083705 1388666204 /nfs/dbraw/zinc/66/62/04/1388666204.db2.gz DYOXMQFUUSSXQB-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cncc(Br)c2)C1 ZINC001328083705 1388666209 /nfs/dbraw/zinc/66/62/09/1388666209.db2.gz DYOXMQFUUSSXQB-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001156341984 1380561582 /nfs/dbraw/zinc/56/15/82/1380561582.db2.gz PZNCTPBUSVZXAF-YLJYHZDGSA-N 2 1 333.520 3.090 20 0 EGADMP CC1(C)C[N@@H+](CCC2CC2)CC[C@@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001328097983 1388669899 /nfs/dbraw/zinc/66/98/99/1388669899.db2.gz KFVIUSLCGQNZFZ-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287249 1380833795 /nfs/dbraw/zinc/83/37/95/1380833795.db2.gz LDBFHYDHRPCINQ-GOSISDBHSA-N 2 1 333.520 3.135 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287249 1380833800 /nfs/dbraw/zinc/83/38/00/1380833800.db2.gz LDBFHYDHRPCINQ-GOSISDBHSA-N 2 1 333.520 3.135 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001157287249 1380833801 /nfs/dbraw/zinc/83/38/01/1380833801.db2.gz LDBFHYDHRPCINQ-GOSISDBHSA-N 2 1 333.520 3.135 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001157287249 1380833804 /nfs/dbraw/zinc/83/38/04/1380833804.db2.gz LDBFHYDHRPCINQ-GOSISDBHSA-N 2 1 333.520 3.135 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001157950864 1381078971 /nfs/dbraw/zinc/07/89/71/1381078971.db2.gz IGDSMORSZVWRKP-MOPGFXCFSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157950864 1381078977 /nfs/dbraw/zinc/07/89/77/1381078977.db2.gz IGDSMORSZVWRKP-MOPGFXCFSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157950864 1381078981 /nfs/dbraw/zinc/07/89/81/1381078981.db2.gz IGDSMORSZVWRKP-MOPGFXCFSA-N 2 1 337.552 3.362 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158039555 1381109360 /nfs/dbraw/zinc/10/93/60/1381109360.db2.gz SIUZPZNHYFVKIK-PMACEKPBSA-N 2 1 349.563 3.317 20 0 EGADMP CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001158061572 1381116913 /nfs/dbraw/zinc/11/69/13/1381116913.db2.gz ORLUJVJUVQIOAG-QZTJIDSGSA-N 2 1 344.503 3.040 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001158061572 1381116914 /nfs/dbraw/zinc/11/69/14/1381116914.db2.gz ORLUJVJUVQIOAG-QZTJIDSGSA-N 2 1 344.503 3.040 20 0 EGADMP CCC(CC)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158100204 1381127767 /nfs/dbraw/zinc/12/77/67/1381127767.db2.gz XTSQUEVJHLKSLM-GOSISDBHSA-N 2 1 337.552 3.173 20 0 EGADMP CC1(C)C[C@@H](Nc2nc(N3CCCCC3)cc[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001158267389 1381178534 /nfs/dbraw/zinc/17/85/34/1381178534.db2.gz WUFYXMBEPUHTFA-DNVCBOLYSA-N 2 1 331.508 3.423 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)cc1C ZINC001328266101 1388704521 /nfs/dbraw/zinc/70/45/21/1388704521.db2.gz GVDAZHLXPGXXKB-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH2+]Cc1csc(C)c1 ZINC001158356444 1381214792 /nfs/dbraw/zinc/21/47/92/1381214792.db2.gz WCPDUFPHQAYRCD-AWEZNQCLSA-N 2 1 348.516 3.063 20 0 EGADMP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158437976 1381246677 /nfs/dbraw/zinc/24/66/77/1381246677.db2.gz IXPWLNHIETWOCB-QULHZPMSSA-N 2 1 337.552 3.388 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158437943 1381246708 /nfs/dbraw/zinc/24/67/08/1381246708.db2.gz HGIAXRJYHULEAA-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CCCC1CCC1 ZINC001158474342 1381257033 /nfs/dbraw/zinc/25/70/33/1381257033.db2.gz XQDWEYUHTWRXPO-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC1CCC1 ZINC001158474342 1381257035 /nfs/dbraw/zinc/25/70/35/1381257035.db2.gz XQDWEYUHTWRXPO-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC1CCC1 ZINC001158474342 1381257041 /nfs/dbraw/zinc/25/70/41/1381257041.db2.gz XQDWEYUHTWRXPO-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001158604963 1381315928 /nfs/dbraw/zinc/31/59/28/1381315928.db2.gz HCFLXBYMQYOYFQ-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001328282160 1388713504 /nfs/dbraw/zinc/71/35/04/1388713504.db2.gz YBYKWANFJZFLCT-HKUYNNGSSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001328282160 1388713508 /nfs/dbraw/zinc/71/35/08/1388713508.db2.gz YBYKWANFJZFLCT-HKUYNNGSSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001328282160 1388713511 /nfs/dbraw/zinc/71/35/11/1388713511.db2.gz YBYKWANFJZFLCT-HKUYNNGSSA-N 2 1 345.531 3.134 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)Cc1ccc(C)cc1 ZINC001158704095 1381360011 /nfs/dbraw/zinc/36/00/11/1381360011.db2.gz BGJYVGNOTKUJKW-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccc(C)cc1 ZINC001158704095 1381360018 /nfs/dbraw/zinc/36/00/18/1381360018.db2.gz BGJYVGNOTKUJKW-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccc(C)cc1 ZINC001158704095 1381360026 /nfs/dbraw/zinc/36/00/26/1381360026.db2.gz BGJYVGNOTKUJKW-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158764830 1381389689 /nfs/dbraw/zinc/38/96/89/1381389689.db2.gz YFOSXEMBLKTRAV-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CC2(CCC2)C1 ZINC001158787667 1381400916 /nfs/dbraw/zinc/40/09/16/1381400916.db2.gz YYDVIGYFBJTPOI-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC2(CCC2)C1 ZINC001158787667 1381400922 /nfs/dbraw/zinc/40/09/22/1381400922.db2.gz YYDVIGYFBJTPOI-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC2(CCC2)C1 ZINC001158787667 1381400928 /nfs/dbraw/zinc/40/09/28/1381400928.db2.gz YYDVIGYFBJTPOI-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)C(C)(C)C[NH3+])c2c1C ZINC001159055755 1381542110 /nfs/dbraw/zinc/54/21/10/1381542110.db2.gz SWPBDGGYBNHJMM-UHFFFAOYSA-N 2 1 347.532 3.077 20 0 EGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(NCC2C[NH+](C)C2)n1 ZINC001159221981 1381734431 /nfs/dbraw/zinc/73/44/31/1381734431.db2.gz FHWNYIVCBXOMOV-UHFFFAOYSA-N 2 1 347.532 3.123 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001159334181 1381767969 /nfs/dbraw/zinc/76/79/69/1381767969.db2.gz ACFATXSGVDEMEN-KUMUZEIWSA-N 2 1 343.515 3.060 20 0 EGADMP C[NH+]1CCN(C2(c3ccc(Nc4cccc5c4C[NH2+]C5)cc3)CC2)CC1 ZINC001159766532 1381893894 /nfs/dbraw/zinc/89/38/94/1381893894.db2.gz AKFZRVVCKQZOKJ-UHFFFAOYSA-N 2 1 348.494 3.270 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1N(c1ccc(F)cc1N)C1CC[NH2+]CC1 ZINC001160093532 1381994881 /nfs/dbraw/zinc/99/48/81/1381994881.db2.gz LSWVJYJHKWXUJQ-UHFFFAOYSA-N 2 1 343.450 3.067 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131030 1382008264 /nfs/dbraw/zinc/00/82/64/1382008264.db2.gz DCMOINIUCHKRCG-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131030 1382008268 /nfs/dbraw/zinc/00/82/68/1382008268.db2.gz DCMOINIUCHKRCG-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001160131030 1382008271 /nfs/dbraw/zinc/00/82/71/1382008271.db2.gz DCMOINIUCHKRCG-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CCCC(C)C)CC1 ZINC001160285577 1382060599 /nfs/dbraw/zinc/06/05/99/1382060599.db2.gz IGQIAIOLOSPGGA-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CCCC(C)C)CC1 ZINC001160285577 1382060603 /nfs/dbraw/zinc/06/06/03/1382060603.db2.gz IGQIAIOLOSPGGA-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CCCC(C)C)CC1 ZINC001160285577 1382060610 /nfs/dbraw/zinc/06/06/10/1382060610.db2.gz IGQIAIOLOSPGGA-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360718 1382081983 /nfs/dbraw/zinc/08/19/83/1382081983.db2.gz VSHKAETYCREIGW-FQEVSTJZSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160360718 1382081987 /nfs/dbraw/zinc/08/19/87/1382081987.db2.gz VSHKAETYCREIGW-FQEVSTJZSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160360718 1382081991 /nfs/dbraw/zinc/08/19/91/1382081991.db2.gz VSHKAETYCREIGW-FQEVSTJZSA-N 2 1 349.563 3.434 20 0 EGADMP CC1CC(C[N@@H+]2CC=C(CCNC(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001160400219 1382094431 /nfs/dbraw/zinc/09/44/31/1382094431.db2.gz LVIMPDPVMBJMFP-LYBXBRPPSA-N 2 1 347.547 3.045 20 0 EGADMP CC1CC(C[NH+]2CC=C(CCNC(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001160400219 1382094437 /nfs/dbraw/zinc/09/44/37/1382094437.db2.gz LVIMPDPVMBJMFP-LYBXBRPPSA-N 2 1 347.547 3.045 20 0 EGADMP CC1CC(C[NH+]2CC=C(CCNC(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001160400219 1382094445 /nfs/dbraw/zinc/09/44/45/1382094445.db2.gz LVIMPDPVMBJMFP-LYBXBRPPSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001160467446 1382114890 /nfs/dbraw/zinc/11/48/90/1382114890.db2.gz STZQJFHFHUWRSP-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001160467446 1382114893 /nfs/dbraw/zinc/11/48/93/1382114893.db2.gz STZQJFHFHUWRSP-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001160467446 1382114895 /nfs/dbraw/zinc/11/48/95/1382114895.db2.gz STZQJFHFHUWRSP-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160473489 1382116840 /nfs/dbraw/zinc/11/68/40/1382116840.db2.gz JPQKXUJXIKZKFK-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160473489 1382116843 /nfs/dbraw/zinc/11/68/43/1382116843.db2.gz JPQKXUJXIKZKFK-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160473489 1382116848 /nfs/dbraw/zinc/11/68/48/1382116848.db2.gz JPQKXUJXIKZKFK-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001160499373 1382124554 /nfs/dbraw/zinc/12/45/54/1382124554.db2.gz CGQQUMBQWUCGBH-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001160499373 1382124555 /nfs/dbraw/zinc/12/45/55/1382124555.db2.gz CGQQUMBQWUCGBH-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001160499373 1382124556 /nfs/dbraw/zinc/12/45/56/1382124556.db2.gz CGQQUMBQWUCGBH-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001160676851 1382168102 /nfs/dbraw/zinc/16/81/02/1382168102.db2.gz IYMAPMPOQMEOSE-UHFFFAOYSA-N 2 1 346.519 3.156 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001160676851 1382168108 /nfs/dbraw/zinc/16/81/08/1382168108.db2.gz IYMAPMPOQMEOSE-UHFFFAOYSA-N 2 1 346.519 3.156 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001160683185 1382169750 /nfs/dbraw/zinc/16/97/50/1382169750.db2.gz OFTHAAIHTKJTGA-UHFFFAOYSA-N 2 1 340.471 3.132 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001160683580 1382170140 /nfs/dbraw/zinc/17/01/40/1382170140.db2.gz VJROVPGTEGRAKX-INIZCTEOSA-N 2 1 340.471 3.132 20 0 EGADMP CCC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001160779399 1382193623 /nfs/dbraw/zinc/19/36/23/1382193623.db2.gz YGQGDJVCGYXSGH-UHFFFAOYSA-N 2 1 335.536 3.189 20 0 EGADMP CCC[NH+]1CC=C(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001160779399 1382193626 /nfs/dbraw/zinc/19/36/26/1382193626.db2.gz YGQGDJVCGYXSGH-UHFFFAOYSA-N 2 1 335.536 3.189 20 0 EGADMP CCC[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001160779399 1382193628 /nfs/dbraw/zinc/19/36/28/1382193628.db2.gz YGQGDJVCGYXSGH-UHFFFAOYSA-N 2 1 335.536 3.189 20 0 EGADMP C[NH+](C)C1(CC(=O)NCCC2=CC[N@@H+](CCC3CC3)CC2)CCCC1 ZINC001160805022 1382202233 /nfs/dbraw/zinc/20/22/33/1382202233.db2.gz YZXIRFRTXHATNS-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP CC[C@@H]1CCCC[C@@H]1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC001292582133 1382204564 /nfs/dbraw/zinc/20/45/64/1382204564.db2.gz KAWUSJMGBOBSQL-QYZOEREBSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC2=CC[NH+](CC3CCC3)CC2)C1 ZINC001160985423 1382261760 /nfs/dbraw/zinc/26/17/60/1382261760.db2.gz AARPWLJRJMBBTH-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCCC2=CC[N@H+](CC3CCC3)CC2)C1 ZINC001160985423 1382261768 /nfs/dbraw/zinc/26/17/68/1382261768.db2.gz AARPWLJRJMBBTH-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCCC2=CC[N@@H+](CC3CCC3)CC2)C1 ZINC001160985423 1382261772 /nfs/dbraw/zinc/26/17/72/1382261772.db2.gz AARPWLJRJMBBTH-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP CC[C@@H](C(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1)[NH+](CC)CC ZINC001161213850 1382344373 /nfs/dbraw/zinc/34/43/73/1382344373.db2.gz MEGJZPSUYJCKQS-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+](CC(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1)CC(C)(C)C ZINC001161219322 1382345168 /nfs/dbraw/zinc/34/51/68/1382345168.db2.gz CIVCUOKCIAIEMM-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP C[NH+](CC(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1)CC(C)(C)C ZINC001161219322 1382345174 /nfs/dbraw/zinc/34/51/74/1382345174.db2.gz CIVCUOKCIAIEMM-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001161219333 1382345282 /nfs/dbraw/zinc/34/52/82/1382345282.db2.gz DFXZKDUJUHIQHL-UHFFFAOYSA-N 2 1 337.552 3.149 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001161219333 1382345286 /nfs/dbraw/zinc/34/52/86/1382345286.db2.gz DFXZKDUJUHIQHL-UHFFFAOYSA-N 2 1 337.552 3.149 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC[C@H]1CCC[C@H](C)C1 ZINC001161226353 1382347943 /nfs/dbraw/zinc/34/79/43/1382347943.db2.gz FEGQXEJHPCLONZ-DLBZAZTESA-N 2 1 325.541 3.029 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(CC(C)C)cc1 ZINC001161227023 1382348845 /nfs/dbraw/zinc/34/88/45/1382348845.db2.gz TWRUWEYAWSACOR-UHFFFAOYSA-N 2 1 347.547 3.211 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383437 1382392065 /nfs/dbraw/zinc/39/20/65/1382392065.db2.gz XPDHRRCQLKXMTJ-SFHVURJKSA-N 2 1 335.536 3.189 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161390482 1382394107 /nfs/dbraw/zinc/39/41/07/1382394107.db2.gz GLRHZJFKBHYDBJ-LJQANCHMSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161390482 1382394110 /nfs/dbraw/zinc/39/41/10/1382394110.db2.gz GLRHZJFKBHYDBJ-LJQANCHMSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161390482 1382394113 /nfs/dbraw/zinc/39/41/13/1382394113.db2.gz GLRHZJFKBHYDBJ-LJQANCHMSA-N 2 1 335.536 3.044 20 0 EGADMP CC[NH+](CC)CC(=O)NCCC1=CC[N@H+]([C@@H](C)c2ccccc2)CC1 ZINC001161497206 1382423193 /nfs/dbraw/zinc/42/31/93/1382423193.db2.gz SZWBOMQXDGKNLV-SFHVURJKSA-N 2 1 343.515 3.228 20 0 EGADMP CCC(CC)C[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001161525037 1382430515 /nfs/dbraw/zinc/43/05/15/1382430515.db2.gz RJBUAYITQALYBJ-UHFFFAOYSA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001161649573 1382470303 /nfs/dbraw/zinc/47/03/03/1382470303.db2.gz NINWNZHJUPLTCM-IBGZPJMESA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001161931344 1382559066 /nfs/dbraw/zinc/55/90/66/1382559066.db2.gz MHOLIADQWYLOAR-UHFFFAOYSA-N 2 1 343.515 3.156 20 0 EGADMP CCc1cc(N2CCC([NH3+])(Cc3ccccc3F)CC2)nc(C)[nH+]1 ZINC001161988526 1382590465 /nfs/dbraw/zinc/59/04/65/1382590465.db2.gz LHMCKZAVFIQAOY-UHFFFAOYSA-N 2 1 328.435 3.027 20 0 EGADMP COc1cccc(C2(Nc3[nH+]c(C)ccc3OC)CC[NH2+]CC2)c1 ZINC001161995665 1382593312 /nfs/dbraw/zinc/59/33/12/1382593312.db2.gz LXEQNPHJIJVFFX-UHFFFAOYSA-N 2 1 327.428 3.098 20 0 EGADMP Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(N[C@H]3CCC[C@@H]([NH3+])C3)c12 ZINC001162392594 1382745754 /nfs/dbraw/zinc/74/57/54/1382745754.db2.gz HMUKMXWZOJWPCT-CABCVRRESA-N 2 1 339.443 3.371 20 0 EGADMP [NH3+][C@H]1CCC[C@H](Nc2nccc3c2CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001162392533 1382745923 /nfs/dbraw/zinc/74/59/23/1382745923.db2.gz GRNLDBZGAQJWIB-OALUTQOASA-N 2 1 336.483 3.322 20 0 EGADMP Cc1sc2nc(C[NH+](C)C)nc(N[C@H]3CCC[C@H]([NH3+])C3)c2c1C ZINC001162391537 1382745931 /nfs/dbraw/zinc/74/59/31/1382745931.db2.gz BPLDRDIPNKRHNZ-STQMWFEESA-N 2 1 333.505 3.052 20 0 EGADMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1c[nH+]c2c(Br)cccn12 ZINC001162465027 1382765779 /nfs/dbraw/zinc/76/57/79/1382765779.db2.gz BFDAERLTONLSKQ-NWDGAFQWSA-N 2 1 337.265 3.144 20 0 EGADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc[nH+]c2ccc(Br)cc12 ZINC001162468440 1382766325 /nfs/dbraw/zinc/76/63/25/1382766325.db2.gz YTCNOEIQGDKPHA-CHWSQXEVSA-N 2 1 348.288 3.467 20 0 EGADMP COC(=O)c1ccc(-c2ccc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@@H]43)[nH+]c2C)cc1 ZINC001162797846 1382875518 /nfs/dbraw/zinc/87/55/18/1382875518.db2.gz PHGHUFPAPSROLV-YTQUADARSA-N 2 1 349.434 3.030 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)nc1 ZINC001162803695 1382877684 /nfs/dbraw/zinc/87/76/84/1382877684.db2.gz UMUAPWGVCYAHCN-GDAAHCPNSA-N 2 1 326.488 3.205 20 0 EGADMP COCC[N@@H+](C)[C@H](CNc1cccc(N)[nH+]1)c1ccc(Cl)cc1 ZINC001163385640 1383038282 /nfs/dbraw/zinc/03/82/82/1383038282.db2.gz NMMBYYMYVULLFV-OAHLLOKOSA-N 2 1 334.851 3.049 20 0 EGADMP Cc1cc(CNc2cc[nH+]cc2C(F)(F)F)cc(N2CCCC2)[nH+]1 ZINC001163433304 1383050680 /nfs/dbraw/zinc/05/06/80/1383050680.db2.gz WKJAQQCSABZGEX-UHFFFAOYSA-N 2 1 336.361 3.438 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CC2(CCNC(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC001163820514 1383125374 /nfs/dbraw/zinc/12/53/74/1383125374.db2.gz FWJFSNOLLGWKNA-PKOBYXMFSA-N 2 1 343.515 3.026 20 0 EGADMP COc1cc(C(F)(F)F)ccc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164212738 1383166701 /nfs/dbraw/zinc/16/67/01/1383166701.db2.gz AJUNTWYSSOESSX-UHFFFAOYSA-N 2 1 345.409 3.152 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001164449589 1383187757 /nfs/dbraw/zinc/18/77/57/1383187757.db2.gz NATYPCSAAJASTK-HXUWFJFHSA-N 2 1 345.531 3.021 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4ccc5c(n4)C[NH2+]CC5)[C@@H]3C2)cc1 ZINC001164486437 1383191810 /nfs/dbraw/zinc/19/18/10/1383191810.db2.gz NZQZRPBVIMHRFG-XUVXKRRUSA-N 2 1 348.494 3.050 20 0 EGADMP C[C@H]([NH3+])c1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC001164499131 1383193789 /nfs/dbraw/zinc/19/37/89/1383193789.db2.gz LQOUEBARONKRNU-WRGRXTPVSA-N 2 1 336.483 3.424 20 0 EGADMP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001164578531 1383201229 /nfs/dbraw/zinc/20/12/29/1383201229.db2.gz FNJJOSRCOYBQMB-AWTIPJNISA-N 2 1 349.563 3.339 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CCN(c2ccc(C(C)(C)C)cn2)CC1 ZINC001165108804 1383230035 /nfs/dbraw/zinc/23/00/35/1383230035.db2.gz HTAQTZXFUVOUCP-SFHVURJKSA-N 2 1 331.504 3.459 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001165765118 1383342258 /nfs/dbraw/zinc/34/22/58/1383342258.db2.gz YVHGUEMNBMXKFV-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)C[N@H+]2CCC[C@H]2C)cc1 ZINC001166626999 1383449827 /nfs/dbraw/zinc/44/98/27/1383449827.db2.gz NWSOIQYSJHZOCN-QZTJIDSGSA-N 2 1 345.531 3.451 20 0 EGADMP C[C@H]1CCC[C@H](CC[NH2+]CCCNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001166736478 1383468179 /nfs/dbraw/zinc/46/81/79/1383468179.db2.gz NEGSNCBXNRFWMT-ZWKOTPCHSA-N 2 1 337.552 3.031 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1)c1ccc(F)cc1 ZINC001166736973 1383468829 /nfs/dbraw/zinc/46/88/29/1383468829.db2.gz XNAZUCVNTRBIOY-GOSISDBHSA-N 2 1 349.494 3.105 20 0 EGADMP CC(C)[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001166802857 1383479701 /nfs/dbraw/zinc/47/97/01/1383479701.db2.gz MQPPASQMLCNYPS-SFHVURJKSA-N 2 1 335.536 3.068 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167426337 1383630603 /nfs/dbraw/zinc/63/06/03/1383630603.db2.gz SHGGZWNGGILING-MOPGFXCFSA-N 2 1 349.563 3.460 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167426002 1383630707 /nfs/dbraw/zinc/63/07/07/1383630707.db2.gz NMDVHDGNCFGHBY-FPXQDXNASA-N 2 1 347.547 3.236 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167426317 1383631026 /nfs/dbraw/zinc/63/10/26/1383631026.db2.gz RQQLQYLEIBXCEI-ROUUACIJSA-N 2 1 335.536 3.070 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CC=C(C)C)CC1 ZINC001167470974 1383643035 /nfs/dbraw/zinc/64/30/35/1383643035.db2.gz MGGVFMXNTYDCHZ-UHFFFAOYSA-N 2 1 337.552 3.341 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]C/C=C\c1ccccc1 ZINC001167626429 1383692648 /nfs/dbraw/zinc/69/26/48/1383692648.db2.gz AIXIWNXQLFXEJL-CRLZUZNUSA-N 2 1 343.515 3.059 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001167636856 1383694946 /nfs/dbraw/zinc/69/49/46/1383694946.db2.gz YODUREKDZRWOEF-UHFFFAOYSA-N 2 1 345.531 3.021 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001167639922 1383695911 /nfs/dbraw/zinc/69/59/11/1383695911.db2.gz HWFQNRRMXUKZMY-INIZCTEOSA-N 2 1 349.494 3.105 20 0 EGADMP CCCC[NH+](CCCC)CCNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001167733540 1383725045 /nfs/dbraw/zinc/72/50/45/1383725045.db2.gz YXWHPHUWANCLHQ-UHFFFAOYSA-N 3 1 343.519 3.335 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001167811940 1383746534 /nfs/dbraw/zinc/74/65/34/1383746534.db2.gz COYQDPRIUPNBMP-UHFFFAOYSA-N 2 1 337.552 3.175 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](Oc2ncccc2OC)C1 ZINC001167834761 1383753150 /nfs/dbraw/zinc/75/31/50/1383753150.db2.gz MTVGOAGMBUXVRQ-IAGOWNOFSA-N 2 1 335.492 3.054 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC001167836370 1383754681 /nfs/dbraw/zinc/75/46/81/1383754681.db2.gz YPTHWQXAKVDKFM-YSIASYRMSA-N 2 1 346.515 3.386 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)N(c1cc(C)[nH+]c(C)n1)C1CC[NH2+]CC1 ZINC001167836250 1383755053 /nfs/dbraw/zinc/75/50/53/1383755053.db2.gz YJPFVZOIFHRJOU-KRWDZBQOSA-N 3 1 347.551 3.162 20 0 EGADMP C[NH+](C)Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167964576 1383780109 /nfs/dbraw/zinc/78/01/09/1383780109.db2.gz SWYRPPNVLSIAHI-SEJPIABJSA-N 3 1 327.516 3.243 20 0 EGADMP C[NH+](C)Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167964576 1383780114 /nfs/dbraw/zinc/78/01/14/1383780114.db2.gz SWYRPPNVLSIAHI-SEJPIABJSA-N 2 1 327.516 3.243 20 0 EGADMP C[NH+](C)Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167964576 1383780117 /nfs/dbraw/zinc/78/01/17/1383780117.db2.gz SWYRPPNVLSIAHI-SEJPIABJSA-N 2 1 327.516 3.243 20 0 EGADMP c1ccc2c(c1)CCCN2CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167966366 1383781048 /nfs/dbraw/zinc/78/10/48/1383781048.db2.gz UTKLVYFXTHNMJF-SEJPIABJSA-N 2 1 339.527 3.434 20 0 EGADMP COc1ccc(OC)c(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167969428 1383782350 /nfs/dbraw/zinc/78/23/50/1383782350.db2.gz CBDDEUYTYDUJKJ-YQQQUEKLSA-N 2 1 344.499 3.241 20 0 EGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC[NH+](C2CCC2)CC1 ZINC001167974859 1383783929 /nfs/dbraw/zinc/78/39/29/1383783929.db2.gz CKNJUABLMCKCSU-VCSGRIEYSA-N 3 1 331.548 3.246 20 0 EGADMP O[C@]1(C(F)(F)F)CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167982877 1383786571 /nfs/dbraw/zinc/78/65/71/1383786571.db2.gz DEDSRNYTYLHCLK-FCLJQHQZSA-N 2 1 346.437 3.171 20 0 EGADMP O[C@]1(C(F)(F)F)CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167982877 1383786576 /nfs/dbraw/zinc/78/65/76/1383786576.db2.gz DEDSRNYTYLHCLK-FCLJQHQZSA-N 2 1 346.437 3.171 20 0 EGADMP O[C@]1(C(F)(F)F)CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167982877 1383786582 /nfs/dbraw/zinc/78/65/82/1383786582.db2.gz DEDSRNYTYLHCLK-FCLJQHQZSA-N 2 1 346.437 3.171 20 0 EGADMP C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@]1(O)C(F)(F)F ZINC001167984812 1383787503 /nfs/dbraw/zinc/78/75/03/1383787503.db2.gz SFNYKKKTQPMFKQ-SNGNKRRRSA-N 2 1 346.437 3.027 20 0 EGADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@]1(O)C(F)(F)F ZINC001167984812 1383787505 /nfs/dbraw/zinc/78/75/05/1383787505.db2.gz SFNYKKKTQPMFKQ-SNGNKRRRSA-N 2 1 346.437 3.027 20 0 EGADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@]1(O)C(F)(F)F ZINC001167984812 1383787510 /nfs/dbraw/zinc/78/75/10/1383787510.db2.gz SFNYKKKTQPMFKQ-SNGNKRRRSA-N 2 1 346.437 3.027 20 0 EGADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@]1(O)C(F)(F)F ZINC001167984812 1383787514 /nfs/dbraw/zinc/78/75/14/1383787514.db2.gz SFNYKKKTQPMFKQ-SNGNKRRRSA-N 2 1 346.437 3.027 20 0 EGADMP CCOC(=O)C[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167984721 1383787557 /nfs/dbraw/zinc/78/75/57/1383787557.db2.gz PXVFIWBSFLYFFK-KAKFPZCNSA-N 2 1 334.504 3.057 20 0 EGADMP CCOC(=O)C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167984721 1383787561 /nfs/dbraw/zinc/78/75/61/1383787561.db2.gz PXVFIWBSFLYFFK-KAKFPZCNSA-N 2 1 334.504 3.057 20 0 EGADMP CCOC(=O)C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167984721 1383787565 /nfs/dbraw/zinc/78/75/65/1383787565.db2.gz PXVFIWBSFLYFFK-KAKFPZCNSA-N 2 1 334.504 3.057 20 0 EGADMP Cc1cnc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC001168007357 1383794658 /nfs/dbraw/zinc/79/46/58/1383794658.db2.gz RTQXDNCQEKPICV-OPVJXMOQSA-N 2 1 338.499 3.359 20 0 EGADMP CC(C)N1C[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1=O ZINC001168021555 1383798704 /nfs/dbraw/zinc/79/87/04/1383798704.db2.gz QGYPLBDJDRLWDZ-HNJRGHQBSA-N 2 1 343.515 3.027 20 0 EGADMP O=C(NCCC[NH2+]CC1CCC2(CC2)CC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168030368 1383800097 /nfs/dbraw/zinc/80/00/97/1383800097.db2.gz NQDGTZRTKJYKIW-RBUKOAKNSA-N 2 1 347.547 3.070 20 0 EGADMP CC(=O)N[C@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168050640 1383804502 /nfs/dbraw/zinc/80/45/02/1383804502.db2.gz BZNUBWGOJCQFOG-JWWGGVBKSA-N 2 1 343.515 3.029 20 0 EGADMP CC(=O)N[C@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168050640 1383804504 /nfs/dbraw/zinc/80/45/04/1383804504.db2.gz BZNUBWGOJCQFOG-JWWGGVBKSA-N 2 1 343.515 3.029 20 0 EGADMP CC(=O)N[C@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168050640 1383804506 /nfs/dbraw/zinc/80/45/06/1383804506.db2.gz BZNUBWGOJCQFOG-JWWGGVBKSA-N 2 1 343.515 3.029 20 0 EGADMP CC(=O)N[C@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168050640 1383804508 /nfs/dbraw/zinc/80/45/08/1383804508.db2.gz BZNUBWGOJCQFOG-JWWGGVBKSA-N 2 1 343.515 3.029 20 0 EGADMP Cc1[nH+]cc2n1CCN(C1C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168047907 1383804841 /nfs/dbraw/zinc/80/48/41/1383804841.db2.gz SVOVRGPLHDCSFA-IRXDYDNUSA-N 2 1 338.499 3.449 20 0 EGADMP COc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCO[C@@H](C)C2)c1 ZINC001168101312 1383816751 /nfs/dbraw/zinc/81/67/51/1383816751.db2.gz KQZQIIXKDMVGQH-WNHJNPCNSA-N 2 1 332.488 3.335 20 0 EGADMP Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(NC3(C)CC[NH2+]CC3)c12 ZINC001168184288 1383837912 /nfs/dbraw/zinc/83/79/12/1383837912.db2.gz WKLRMGDIJPVPNZ-UHFFFAOYSA-N 2 1 339.443 3.243 20 0 EGADMP C[C@H](Cc1ccc(Cl)cc1)[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001168190718 1383840181 /nfs/dbraw/zinc/84/01/81/1383840181.db2.gz CICFCLPXKYFEOZ-QGZVFWFLSA-N 2 1 349.950 3.230 20 0 EGADMP CN(C[C@H](O)C[N@H+]1CCC[C@@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285326 1383863525 /nfs/dbraw/zinc/86/35/25/1383863525.db2.gz SRHVUSKESHQNDI-CTNGQTDRSA-N 2 1 330.516 3.176 20 0 EGADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285326 1383863531 /nfs/dbraw/zinc/86/35/31/1383863531.db2.gz SRHVUSKESHQNDI-CTNGQTDRSA-N 2 1 330.516 3.176 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285326 1383863533 /nfs/dbraw/zinc/86/35/33/1383863533.db2.gz SRHVUSKESHQNDI-CTNGQTDRSA-N 2 1 330.516 3.176 20 0 EGADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285326 1383863535 /nfs/dbraw/zinc/86/35/35/1383863535.db2.gz SRHVUSKESHQNDI-CTNGQTDRSA-N 2 1 330.516 3.176 20 0 EGADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](CCCc2ccccc2)C1)C1CC1 ZINC001168285326 1383863540 /nfs/dbraw/zinc/86/35/40/1383863540.db2.gz SRHVUSKESHQNDI-CTNGQTDRSA-N 2 1 330.516 3.176 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001168322959 1383872441 /nfs/dbraw/zinc/87/24/41/1383872441.db2.gz KQUUPDKNJNVPEA-KLAILNCOSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001168330553 1383875170 /nfs/dbraw/zinc/87/51/70/1383875170.db2.gz RWYQCIXGCUGBNB-HAMDTZRPSA-N 2 1 327.516 3.066 20 0 EGADMP [NH3+]C[C@]1([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)CN2CCC1CC2 ZINC001168335159 1383875687 /nfs/dbraw/zinc/87/56/87/1383875687.db2.gz HAMVFNCNKZBAEY-GQOXECLESA-N 2 1 347.934 3.379 20 0 EGADMP Cc1cccc(C[N@H+]2CC[C@H](NC3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168366731 1383885468 /nfs/dbraw/zinc/88/54/68/1383885468.db2.gz ZCGZDHYIAZYMJP-NRFANRHFSA-N 2 1 327.516 3.033 20 0 EGADMP Cc1cccc(CN2CC[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168366731 1383885471 /nfs/dbraw/zinc/88/54/71/1383885471.db2.gz ZCGZDHYIAZYMJP-NRFANRHFSA-N 2 1 327.516 3.033 20 0 EGADMP COc1ccc([C@H]2C[C@H]([N@H+](CC[NH3+])Cc3ccccc3)CCO2)cc1 ZINC001168585770 1383942181 /nfs/dbraw/zinc/94/21/81/1383942181.db2.gz RIHDGOYKKIRLIP-TZIWHRDSSA-N 2 1 340.467 3.376 20 0 EGADMP COc1ccc([C@H]2C[C@H]([N@@H+](CC[NH3+])Cc3ccccc3)CCO2)cc1 ZINC001168585770 1383942183 /nfs/dbraw/zinc/94/21/83/1383942183.db2.gz RIHDGOYKKIRLIP-TZIWHRDSSA-N 2 1 340.467 3.376 20 0 EGADMP c1ccc2cc(CCNc3[nH+]cccc3N3CC[NH2+]CC3)ccc2c1 ZINC001168727802 1383982418 /nfs/dbraw/zinc/98/24/18/1383982418.db2.gz PALMXHPADDNXGC-UHFFFAOYSA-N 2 1 332.451 3.299 20 0 EGADMP COC(=O)C1(C)CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001168751454 1383992556 /nfs/dbraw/zinc/99/25/56/1383992556.db2.gz XOIRKJGNRGRLGO-JSOIOWGOSA-N 2 1 344.499 3.220 20 0 EGADMP COC(=O)C1(C)CCC([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001168790123 1384005301 /nfs/dbraw/zinc/00/53/01/1384005301.db2.gz IDFNIBJQTWXMAF-PGYGNJIDSA-N 2 1 336.520 3.449 20 0 EGADMP CC(C)[N@@H+]([C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168832175 1384024186 /nfs/dbraw/zinc/02/41/86/1384024186.db2.gz CWJMHKMLRJPCQB-VQHPVUNQSA-N 2 1 339.524 3.365 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOc1cccc(Br)c1)C2 ZINC001169081767 1384104043 /nfs/dbraw/zinc/10/40/43/1384104043.db2.gz WAOZUFWUFXQSOF-QDMKHBRRSA-N 2 1 339.277 3.043 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C2 ZINC001169094944 1384106232 /nfs/dbraw/zinc/10/62/32/1384106232.db2.gz NVPOBGRBSXOSTI-RDSHKEJNSA-N 2 1 337.508 3.037 20 0 EGADMP COc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C(F)(F)F ZINC001169099131 1384106796 /nfs/dbraw/zinc/10/67/96/1384106796.db2.gz NUQNBUJGEGQUHG-BTTYYORXSA-N 2 1 328.378 3.429 20 0 EGADMP COc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C(F)(F)F ZINC001169099131 1384106797 /nfs/dbraw/zinc/10/67/97/1384106797.db2.gz NUQNBUJGEGQUHG-BTTYYORXSA-N 2 1 328.378 3.429 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCN(Cc3ccccc3Cl)C1)C2 ZINC001169109016 1384108224 /nfs/dbraw/zinc/10/82/24/1384108224.db2.gz GCUXLOATDXCSKD-FJIDUMEYSA-N 2 1 333.907 3.129 20 0 EGADMP CCOC(=O)CC[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169128299 1384111140 /nfs/dbraw/zinc/11/11/40/1384111140.db2.gz CLIYUTNHGAPDHZ-BWTSREIZSA-N 2 1 330.472 3.067 20 0 EGADMP CCOC(=O)CC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169128299 1384111142 /nfs/dbraw/zinc/11/11/42/1384111142.db2.gz CLIYUTNHGAPDHZ-BWTSREIZSA-N 2 1 330.472 3.067 20 0 EGADMP CCOC(=O)CC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169128299 1384111144 /nfs/dbraw/zinc/11/11/44/1384111144.db2.gz CLIYUTNHGAPDHZ-BWTSREIZSA-N 2 1 330.472 3.067 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(Oc3ccc(F)cc3F)CC1)C2 ZINC001169139608 1384112322 /nfs/dbraw/zinc/11/23/22/1384112322.db2.gz CARVKXDPGMTULQ-MUJYYYPQSA-N 2 1 336.426 3.433 20 0 EGADMP CC[NH+]1CCC([NH2+]C2CCN(Cc3cc(C)ccc3F)CC2)CC1 ZINC001169238619 1384126097 /nfs/dbraw/zinc/12/60/97/1384126097.db2.gz KAAKRDNWJVHGHD-UHFFFAOYSA-N 2 1 333.495 3.172 20 0 EGADMP CC[NH+]1CCC([N@@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)CC1 ZINC001169251762 1384127585 /nfs/dbraw/zinc/12/75/85/1384127585.db2.gz ZLHQXQNPUCAJTL-CTNGQTDRSA-N 2 1 343.515 3.185 20 0 EGADMP CC[NH+]1CCC([N@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)CC1 ZINC001169251762 1384127591 /nfs/dbraw/zinc/12/75/91/1384127591.db2.gz ZLHQXQNPUCAJTL-CTNGQTDRSA-N 2 1 343.515 3.185 20 0 EGADMP CC[NH+]1CCC([N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001169262184 1384128702 /nfs/dbraw/zinc/12/87/02/1384128702.db2.gz VTEHYJQIRKBAFD-NXHRZFHOSA-N 2 1 336.520 3.446 20 0 EGADMP CC[NH+]1CCC([N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001169262184 1384128703 /nfs/dbraw/zinc/12/87/03/1384128703.db2.gz VTEHYJQIRKBAFD-NXHRZFHOSA-N 2 1 336.520 3.446 20 0 EGADMP CC[N@@H+]1C[C@@H]2C[NH+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@@H]2C1 ZINC001169306800 1384134369 /nfs/dbraw/zinc/13/43/69/1384134369.db2.gz FVRBEVUFDLYPLW-VCWRXUFXSA-N 2 1 342.483 3.038 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@H+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@@H]2C1 ZINC001169306800 1384134370 /nfs/dbraw/zinc/13/43/70/1384134370.db2.gz FVRBEVUFDLYPLW-VCWRXUFXSA-N 2 1 342.483 3.038 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@@H+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@@H]2C1 ZINC001169306800 1384134373 /nfs/dbraw/zinc/13/43/73/1384134373.db2.gz FVRBEVUFDLYPLW-VCWRXUFXSA-N 2 1 342.483 3.038 20 0 EGADMP O=C(OC1CCC([NH+]2CCC([NH+]3CCC3)CC2)CC1)c1ccccc1 ZINC001169308327 1384134773 /nfs/dbraw/zinc/13/47/73/1384134773.db2.gz VNMZKKQHFVEGLQ-UHFFFAOYSA-N 2 1 342.483 3.325 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CN[C@H]2CC[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001308740348 1384146246 /nfs/dbraw/zinc/14/62/46/1384146246.db2.gz IPAQCSYHRISJSU-NRSPTQNISA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@H]2CC[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001308740348 1384146247 /nfs/dbraw/zinc/14/62/47/1384146247.db2.gz IPAQCSYHRISJSU-NRSPTQNISA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001308740348 1384146248 /nfs/dbraw/zinc/14/62/48/1384146248.db2.gz IPAQCSYHRISJSU-NRSPTQNISA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC001308740348 1384146249 /nfs/dbraw/zinc/14/62/49/1384146249.db2.gz IPAQCSYHRISJSU-NRSPTQNISA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC001308740348 1384146250 /nfs/dbraw/zinc/14/62/50/1384146250.db2.gz IPAQCSYHRISJSU-NRSPTQNISA-N 2 1 329.532 3.359 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001169798927 1384187250 /nfs/dbraw/zinc/18/72/50/1384187250.db2.gz SYCKYMGYACBRRH-ICSRJNTNSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169809598 1384187830 /nfs/dbraw/zinc/18/78/30/1384187830.db2.gz JGVOCLVLXMQMNO-HKUYNNGSSA-N 2 1 335.536 3.236 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)[C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169926350 1384199015 /nfs/dbraw/zinc/19/90/15/1384199015.db2.gz CQIICRYLUVWWFT-FHWLQOOXSA-N 2 1 336.520 3.434 20 0 EGADMP CC(C)[C@H](Nc1cc[nH+]c(N2CCC([NH3+])CC2)n1)c1ccc(F)cc1 ZINC001170063204 1384227178 /nfs/dbraw/zinc/22/71/78/1384227178.db2.gz NTOLLWYHXPEGBM-SFHVURJKSA-N 2 1 343.450 3.352 20 0 EGADMP COCCN1CCOC[C@]2(CCC[N@H+]([C@@H](C)CCCC(C)C)C2)C1 ZINC001170078469 1384230333 /nfs/dbraw/zinc/23/03/33/1384230333.db2.gz SGMALQQQGRPMDL-VQTJNVASSA-N 2 1 340.552 3.262 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)CC[N@@H+](C)CC)c1ccc(Cl)cc1 ZINC001170222991 1384268677 /nfs/dbraw/zinc/26/86/77/1384268677.db2.gz PZWAPNYMEGWYBV-QGZVFWFLSA-N 2 1 339.911 3.229 20 0 EGADMP Cc1cc([NH+]2CCCCC2)ccc1NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170279949 1384281351 /nfs/dbraw/zinc/28/13/51/1384281351.db2.gz QBQCDRGDQBFPBN-VAMGGRTRSA-N 2 1 347.503 3.122 20 0 EGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001170449469 1384321494 /nfs/dbraw/zinc/32/14/94/1384321494.db2.gz NONUNELESNTSCG-KRWDZBQOSA-N 2 1 330.472 3.154 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001170559492 1384342080 /nfs/dbraw/zinc/34/20/80/1384342080.db2.gz ACYMLJZNDLSUOR-UXHICEINSA-N 2 1 344.499 3.172 20 0 EGADMP COc1cc2[nH+]ccn2cc1-n1c(-c2ccccc2)cnc1[C@H](C)[NH3+] ZINC001170686639 1384365898 /nfs/dbraw/zinc/36/58/98/1384365898.db2.gz WWFFYLZQZABSGS-ZDUSSCGKSA-N 2 1 333.395 3.215 20 0 EGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001170750501 1384377974 /nfs/dbraw/zinc/37/79/74/1384377974.db2.gz KWANUXQDPZLBTK-ROUUACIJSA-N 2 1 325.541 3.314 20 0 EGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001170750500 1384378237 /nfs/dbraw/zinc/37/82/37/1384378237.db2.gz KWANUXQDPZLBTK-QZTJIDSGSA-N 2 1 325.541 3.314 20 0 EGADMP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001170751738 1384378651 /nfs/dbraw/zinc/37/86/51/1384378651.db2.gz UYXXZOVPTFSXJC-FNYRVFDFSA-N 2 1 337.552 3.480 20 0 EGADMP C[C@@H]1COCC[C@@H]1Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001170820653 1384391380 /nfs/dbraw/zinc/39/13/80/1384391380.db2.gz UPEFSCWTTMRMIQ-OIISXLGYSA-N 2 1 328.460 3.188 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170846924 1384397552 /nfs/dbraw/zinc/39/75/52/1384397552.db2.gz BMPDNHYIAIOIOW-IRXDYDNUSA-N 2 1 337.305 3.380 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170851945 1384398356 /nfs/dbraw/zinc/39/83/56/1384398356.db2.gz VTEZZWFJHMIOJW-GUYCJALGSA-N 2 1 337.305 3.238 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861952 1384401015 /nfs/dbraw/zinc/40/10/15/1384401015.db2.gz ISGIXCVXJBALKC-JFIYKMOQSA-N 2 1 337.552 3.027 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH2+]C[C@H](C)CC(C)C)c1ccccc1 ZINC001170868215 1384401313 /nfs/dbraw/zinc/40/13/13/1384401313.db2.gz QYOQSSKDAYQFHS-UYAOXDASSA-N 2 1 347.547 3.458 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC2=CCCCC2)CC[N@H+]1C ZINC001170879479 1384403606 /nfs/dbraw/zinc/40/36/06/1384403606.db2.gz XXFXNGYWXFBUGQ-YZGWKJHDSA-N 2 1 349.563 3.482 20 0 EGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001171236578 1384476444 /nfs/dbraw/zinc/47/64/44/1384476444.db2.gz NRVNVUSDARWSJW-ROUUACIJSA-N 2 1 325.541 3.029 20 0 EGADMP COc1ccc(Cl)c2c1C[C@H]([N@@H+]1CC[C@]3(CC[NH+](C)C3)C1)CC2 ZINC001171325626 1384495249 /nfs/dbraw/zinc/49/52/49/1384495249.db2.gz BPQZMIPSPMDNIR-KUHUBIRLSA-N 2 1 334.891 3.234 20 0 EGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1CC[C@]3(CC[NH+](C)C3)C1)CC2 ZINC001171325626 1384495251 /nfs/dbraw/zinc/49/52/51/1384495251.db2.gz BPQZMIPSPMDNIR-KUHUBIRLSA-N 2 1 334.891 3.234 20 0 EGADMP COc1ccc(Cl)c2c1C[C@H]([NH+]1CC[C@]3(CC[N@H+](C)C3)C1)CC2 ZINC001171325626 1384495253 /nfs/dbraw/zinc/49/52/53/1384495253.db2.gz BPQZMIPSPMDNIR-KUHUBIRLSA-N 2 1 334.891 3.234 20 0 EGADMP COc1ccc(Cl)c2c1C[C@H]([NH+]1CC[C@]3(CC[N@@H+](C)C3)C1)CC2 ZINC001171325626 1384495256 /nfs/dbraw/zinc/49/52/56/1384495256.db2.gz BPQZMIPSPMDNIR-KUHUBIRLSA-N 2 1 334.891 3.234 20 0 EGADMP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC001171538784 1384556526 /nfs/dbraw/zinc/55/65/26/1384556526.db2.gz ONCOEDUNWCMJTK-AZUAARDMSA-N 2 1 345.531 3.244 20 0 EGADMP C[C@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171537818 1384556703 /nfs/dbraw/zinc/55/67/03/1384556703.db2.gz HYZASGXKZRFPAG-VQIMIIECSA-N 2 1 349.494 3.075 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171546569 1384558668 /nfs/dbraw/zinc/55/86/68/1384558668.db2.gz LHOADPNECRRTNA-FUHWJXTLSA-N 2 1 337.552 3.172 20 0 EGADMP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171548001 1384559752 /nfs/dbraw/zinc/55/97/52/1384559752.db2.gz ZKANIUUBVCGYNC-QZTJIDSGSA-N 2 1 325.541 3.316 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001171646762 1384591983 /nfs/dbraw/zinc/59/19/83/1384591983.db2.gz PHIFWAZHCXLQKE-MOPGFXCFSA-N 2 1 339.568 3.418 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC001171731887 1384618443 /nfs/dbraw/zinc/61/84/43/1384618443.db2.gz PMNFPHSRSYQQIU-QZTJIDSGSA-N 2 1 325.541 3.031 20 0 EGADMP C[C@@H]1C[C@H](N2CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171749180 1384624932 /nfs/dbraw/zinc/62/49/32/1384624932.db2.gz IRSOBHWLVPPGOU-OFNKIYASSA-N 2 1 349.522 3.467 20 0 EGADMP C[C@@H]1C[C@H](N2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171749180 1384624934 /nfs/dbraw/zinc/62/49/34/1384624934.db2.gz IRSOBHWLVPPGOU-OFNKIYASSA-N 2 1 349.522 3.467 20 0 EGADMP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171816372 1384648737 /nfs/dbraw/zinc/64/87/37/1384648737.db2.gz HHPLREPIFKNAMT-JTGQJZMRSA-N 2 1 334.508 3.203 20 0 EGADMP CC(C)[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001171917601 1384680681 /nfs/dbraw/zinc/68/06/81/1384680681.db2.gz ASOFYFSEIQJLMS-KRWDZBQOSA-N 2 1 325.541 3.314 20 0 EGADMP CC1(C)C[C@H](NCc2cn3cccnc3n2)CC[N@H+]1Cc1ccccc1 ZINC001171965079 1384697576 /nfs/dbraw/zinc/69/75/76/1384697576.db2.gz OAZJTVNJYDNPMX-GOSISDBHSA-N 2 1 349.482 3.262 20 0 EGADMP COC(=O)C1CC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171974122 1384700994 /nfs/dbraw/zinc/70/09/94/1384700994.db2.gz BTKGMOKRVLDJIE-CTWPCTMYSA-N 2 1 344.499 3.218 20 0 EGADMP CC1(C)C[C@@H](n2ccnc2CCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171977508 1384701556 /nfs/dbraw/zinc/70/15/56/1384701556.db2.gz RTIONNPANZZADB-SFHVURJKSA-N 2 1 326.488 3.390 20 0 EGADMP C[C@@H]1CO[C@@H]2C[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]12 ZINC001171985933 1384704018 /nfs/dbraw/zinc/70/40/18/1384704018.db2.gz DJFSTRGFXXNERQ-VBSBHUPXSA-N 2 1 328.500 3.396 20 0 EGADMP C[C@@H]1CO[C@@H]2C[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]12 ZINC001171985933 1384704019 /nfs/dbraw/zinc/70/40/19/1384704019.db2.gz DJFSTRGFXXNERQ-VBSBHUPXSA-N 2 1 328.500 3.396 20 0 EGADMP C[C@@H]1CO[C@@H]2C[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]12 ZINC001171985933 1384704024 /nfs/dbraw/zinc/70/40/24/1384704024.db2.gz DJFSTRGFXXNERQ-VBSBHUPXSA-N 2 1 328.500 3.396 20 0 EGADMP C[N@H+]1CC[C@]2(CCN([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987316 1384706905 /nfs/dbraw/zinc/70/69/05/1384706905.db2.gz UFQLTCSOTJXBND-IRLDBZIGSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+]1CC[C@]2(CCN([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987316 1384706907 /nfs/dbraw/zinc/70/69/07/1384706907.db2.gz UFQLTCSOTJXBND-IRLDBZIGSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+]1CC[C@]2(CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987316 1384706911 /nfs/dbraw/zinc/70/69/11/1384706911.db2.gz UFQLTCSOTJXBND-IRLDBZIGSA-N 2 1 341.543 3.457 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001316936143 1384708070 /nfs/dbraw/zinc/70/80/70/1384708070.db2.gz RFENCGGQSPQGGH-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP Cc1cnc(CC[NH3+])n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061605 1384714350 /nfs/dbraw/zinc/71/43/50/1384714350.db2.gz HTSQQGACRWUFPM-PMOLBWCYSA-N 2 1 338.499 3.451 20 0 EGADMP Cc1ncc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172066533 1384716599 /nfs/dbraw/zinc/71/65/99/1384716599.db2.gz ZFNCEAOJQNERBK-WKCHPHFGSA-N 2 1 336.483 3.460 20 0 EGADMP Cc1ncc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172066533 1384716603 /nfs/dbraw/zinc/71/66/03/1384716603.db2.gz ZFNCEAOJQNERBK-WKCHPHFGSA-N 2 1 336.483 3.460 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]C2CC4(COC4)C2)C3)cc1 ZINC001172066485 1384717233 /nfs/dbraw/zinc/71/72/33/1384717233.db2.gz XXIOHDQYOCGPRA-VJDPLVQDSA-N 2 1 326.484 3.341 20 0 EGADMP C[C@@H]1CC[C@H](O)C[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172068838 1384718824 /nfs/dbraw/zinc/71/88/24/1384718824.db2.gz LIDHUBVTBJBDKL-RQXATKFSSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1CC[C@H](O)C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172068838 1384718827 /nfs/dbraw/zinc/71/88/27/1384718827.db2.gz LIDHUBVTBJBDKL-RQXATKFSSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1CC[C@H](O)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068838 1384718829 /nfs/dbraw/zinc/71/88/29/1384718829.db2.gz LIDHUBVTBJBDKL-RQXATKFSSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1CC[C@H](O)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068838 1384718832 /nfs/dbraw/zinc/71/88/32/1384718832.db2.gz LIDHUBVTBJBDKL-RQXATKFSSA-N 2 1 328.500 3.417 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]CCc2cnccn2)C3)cc1 ZINC001172073623 1384720272 /nfs/dbraw/zinc/72/02/72/1384720272.db2.gz SBAGOPMAFMVYJV-MZADTFQBSA-N 2 1 336.483 3.194 20 0 EGADMP COC(=O)C[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076309 1384720605 /nfs/dbraw/zinc/72/06/05/1384720605.db2.gz HUALCANQDRSODM-DSLXNQLJSA-N 2 1 330.472 3.113 20 0 EGADMP [NH3+][C@H]1CCC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172078041 1384721702 /nfs/dbraw/zinc/72/17/02/1384721702.db2.gz XBBRXTYPXBQCRM-UQVNRYHBSA-N 2 1 327.516 3.432 20 0 EGADMP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172078041 1384721707 /nfs/dbraw/zinc/72/17/07/1384721707.db2.gz XBBRXTYPXBQCRM-UQVNRYHBSA-N 3 1 327.516 3.432 20 0 EGADMP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172078041 1384721710 /nfs/dbraw/zinc/72/17/10/1384721710.db2.gz XBBRXTYPXBQCRM-UQVNRYHBSA-N 3 1 327.516 3.432 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cncn1Cc1ccc(F)cc1)C2 ZINC001172113383 1384731415 /nfs/dbraw/zinc/73/14/15/1384731415.db2.gz GQFNQHXYCKWMBW-LDLYASANSA-N 2 1 342.462 3.175 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(C[C@@H](OCC4CC4)CO3)CC1)C2 ZINC001172119349 1384732377 /nfs/dbraw/zinc/73/23/77/1384732377.db2.gz UTZGQOLEXUKJED-FUMNGEBKSA-N 2 1 348.531 3.052 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(C[C@@H](OCC4CC4)CO3)CC1)C2 ZINC001172119349 1384732379 /nfs/dbraw/zinc/73/23/79/1384732379.db2.gz UTZGQOLEXUKJED-FUMNGEBKSA-N 2 1 348.531 3.052 20 0 EGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]([C@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119049 1384733069 /nfs/dbraw/zinc/73/30/69/1384733069.db2.gz RSYAAWYYUSYUAA-YDZRNGNQSA-N 2 1 349.563 3.013 20 0 EGADMP CC[C@@H](CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)NC(=O)OC(C)(C)C ZINC001172116489 1384733308 /nfs/dbraw/zinc/73/33/08/1384733308.db2.gz HOYGKJLHUOGJOW-LUKYLMHMSA-N 2 1 339.524 3.285 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1ccccc1 ZINC001172120682 1384733888 /nfs/dbraw/zinc/73/38/88/1384733888.db2.gz LQZRXZIKZDEOOA-CXQPBAHBSA-N 2 1 342.483 3.238 20 0 EGADMP COC(=O)[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1ccccc1 ZINC001172120682 1384733890 /nfs/dbraw/zinc/73/38/90/1384733890.db2.gz LQZRXZIKZDEOOA-CXQPBAHBSA-N 2 1 342.483 3.238 20 0 EGADMP COC(=O)[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1c1ccccc1 ZINC001172120682 1384733894 /nfs/dbraw/zinc/73/38/94/1384733894.db2.gz LQZRXZIKZDEOOA-CXQPBAHBSA-N 2 1 342.483 3.238 20 0 EGADMP COC(=O)[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccccc1 ZINC001172120682 1384733897 /nfs/dbraw/zinc/73/38/97/1384733897.db2.gz LQZRXZIKZDEOOA-CXQPBAHBSA-N 2 1 342.483 3.238 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172121284 1384734754 /nfs/dbraw/zinc/73/47/54/1384734754.db2.gz DGUOBMKSXSMFFM-MJUUVYJYSA-N 2 1 327.516 3.381 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@H]3CCN(Cc4ccccc4)[C@H]3C1)C2 ZINC001172127212 1384735914 /nfs/dbraw/zinc/73/59/14/1384735914.db2.gz HQWJDOGIHCNNHL-BDHVOXNPSA-N 2 1 339.527 3.208 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@H]3CCN(Cc4ccccc4)[C@H]3C1)C2 ZINC001172127212 1384735919 /nfs/dbraw/zinc/73/59/19/1384735919.db2.gz HQWJDOGIHCNNHL-BDHVOXNPSA-N 2 1 339.527 3.208 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@H]3CCN(Cc4ccccc4)[C@H]3C1)C2 ZINC001172127212 1384735921 /nfs/dbraw/zinc/73/59/21/1384735921.db2.gz HQWJDOGIHCNNHL-BDHVOXNPSA-N 2 1 339.527 3.208 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001172125147 1384736118 /nfs/dbraw/zinc/73/61/18/1384736118.db2.gz ORUMSMHFYLSEEG-RTOMLYRKSA-N 2 1 339.527 3.066 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(NC(=O)C3CCCCC3)CC1)C2 ZINC001172130510 1384737109 /nfs/dbraw/zinc/73/71/09/1384737109.db2.gz PEOYGEXNFICZOF-ACDBMABISA-N 2 1 347.547 3.163 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(NC(=O)C3CCCCC3)CC1)C2 ZINC001172130510 1384737110 /nfs/dbraw/zinc/73/71/10/1384737110.db2.gz PEOYGEXNFICZOF-ACDBMABISA-N 2 1 347.547 3.163 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)O5)CC[C@@H]3C2)cc1 ZINC001172227252 1384752423 /nfs/dbraw/zinc/75/24/23/1384752423.db2.gz SCBAFLNFYXSELN-OWBSXZKWSA-N 2 1 326.484 3.150 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](C4C[C@H]5CC[C@@H](C4)O5)CC[C@@H]3C2)cc1 ZINC001172227252 1384752426 /nfs/dbraw/zinc/75/24/26/1384752426.db2.gz SCBAFLNFYXSELN-OWBSXZKWSA-N 2 1 326.484 3.150 20 0 EGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172240055 1384754041 /nfs/dbraw/zinc/75/40/41/1384754041.db2.gz FDLMWIVXPZCVOI-SEJPIABJSA-N 2 1 326.484 3.459 20 0 EGADMP COCCC[NH+]1CCC([NH2+]C(C)(C)Cc2cccc(OC)c2)CC1 ZINC001172248196 1384756010 /nfs/dbraw/zinc/75/60/10/1384756010.db2.gz ADPBUIFQMNQJEL-UHFFFAOYSA-N 2 1 334.504 3.107 20 0 EGADMP COCCC[NH+]1CCC([N@H+](Cc2ccccc2)C2CCOCC2)CC1 ZINC001172255937 1384756706 /nfs/dbraw/zinc/75/67/06/1384756706.db2.gz OZSQLPOZDBZEMG-UHFFFAOYSA-N 2 1 346.515 3.169 20 0 EGADMP COCCC[NH+]1CCC([N@@H+](Cc2ccccc2)C2CCOCC2)CC1 ZINC001172255937 1384756707 /nfs/dbraw/zinc/75/67/07/1384756707.db2.gz OZSQLPOZDBZEMG-UHFFFAOYSA-N 2 1 346.515 3.169 20 0 EGADMP CC1(C)C[C@H]([N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)CO1 ZINC001172292627 1384761972 /nfs/dbraw/zinc/76/19/72/1384761972.db2.gz NAKWFPZKGAWJMW-PXTPFGJHSA-N 2 1 330.516 3.449 20 0 EGADMP CC1(C)C[C@H]([N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)CO1 ZINC001172292627 1384761979 /nfs/dbraw/zinc/76/19/79/1384761979.db2.gz NAKWFPZKGAWJMW-PXTPFGJHSA-N 2 1 330.516 3.449 20 0 EGADMP CC1(C)C[C@H]([NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)CO1 ZINC001172292627 1384761983 /nfs/dbraw/zinc/76/19/83/1384761983.db2.gz NAKWFPZKGAWJMW-PXTPFGJHSA-N 2 1 330.516 3.449 20 0 EGADMP CC1(C)C[C@H]([NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)CO1 ZINC001172292627 1384761987 /nfs/dbraw/zinc/76/19/87/1384761987.db2.gz NAKWFPZKGAWJMW-PXTPFGJHSA-N 2 1 330.516 3.449 20 0 EGADMP CC[C@H](C)OCC[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001172319174 1384769139 /nfs/dbraw/zinc/76/91/39/1384769139.db2.gz OYPKQFAQELPTHV-OALUTQOASA-N 2 1 347.547 3.117 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C[C@@H]1C ZINC001172369175 1384778398 /nfs/dbraw/zinc/77/83/98/1384778398.db2.gz PSVYMCYBDOOGOM-RKNHFHLDSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C[C@@H]1C ZINC001172369175 1384778401 /nfs/dbraw/zinc/77/84/01/1384778401.db2.gz PSVYMCYBDOOGOM-RKNHFHLDSA-N 2 1 330.516 3.284 20 0 EGADMP CC(C)COCC[C@H](C)[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172465944 1384798486 /nfs/dbraw/zinc/79/84/86/1384798486.db2.gz JHWZSDXHKNCQKW-VQTJNVASSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)COCC[C@H](C)[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172465944 1384798489 /nfs/dbraw/zinc/79/84/89/1384798489.db2.gz JHWZSDXHKNCQKW-VQTJNVASSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)COCC[C@H](C)[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001172465944 1384798495 /nfs/dbraw/zinc/79/84/95/1384798495.db2.gz JHWZSDXHKNCQKW-VQTJNVASSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)COCC[C@H](C)[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001172465944 1384798501 /nfs/dbraw/zinc/79/85/01/1384798501.db2.gz JHWZSDXHKNCQKW-VQTJNVASSA-N 2 1 340.552 3.260 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[C@H](C[N@@H+](C)CCCC3CCC3)C2)CC1 ZINC001317040079 1384812875 /nfs/dbraw/zinc/81/28/75/1384812875.db2.gz WHZWUKTXAMHNCZ-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP COC(=O)[C@H]1CCC[C@H](N(c2[nH+]cccc2C)C2CC[NH2+]CC2)CC1 ZINC001172802655 1384855458 /nfs/dbraw/zinc/85/54/58/1384855458.db2.gz LAPTUUAPKOEXTA-IRXDYDNUSA-N 2 1 345.487 3.070 20 0 EGADMP COC(=O)[C@H]1CCC[C@@H](N(c2cccc(C)[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001172804254 1384855861 /nfs/dbraw/zinc/85/58/61/1384855861.db2.gz UCWOIMKQEASUIJ-DLBZAZTESA-N 2 1 345.487 3.070 20 0 EGADMP CO[C@@H]1CCC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)C1 ZINC001172939512 1384883723 /nfs/dbraw/zinc/88/37/23/1384883723.db2.gz RDIAIEASTGEIFN-JSXRDJHFSA-N 2 1 328.500 3.316 20 0 EGADMP CO[C@@H]1CCC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)C1 ZINC001172939512 1384883728 /nfs/dbraw/zinc/88/37/28/1384883728.db2.gz RDIAIEASTGEIFN-JSXRDJHFSA-N 2 1 328.500 3.316 20 0 EGADMP CO[C@@H]1CCC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)C1 ZINC001172939512 1384883731 /nfs/dbraw/zinc/88/37/31/1384883731.db2.gz RDIAIEASTGEIFN-JSXRDJHFSA-N 2 1 328.500 3.316 20 0 EGADMP C[C@H]1CC[C@@H]([N@H+](C)CCC[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001173068326 1384906492 /nfs/dbraw/zinc/90/64/92/1384906492.db2.gz GDUVNKGXSITZDH-DLBZAZTESA-N 2 1 339.524 3.192 20 0 EGADMP C[C@H]1CC[C@@H]([N@@H+](C)CCC[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001173068326 1384906495 /nfs/dbraw/zinc/90/64/95/1384906495.db2.gz GDUVNKGXSITZDH-DLBZAZTESA-N 2 1 339.524 3.192 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)CC1 ZINC001173114126 1384917936 /nfs/dbraw/zinc/91/79/36/1384917936.db2.gz XCBIHRBOEJBEIF-LMDPOFIKSA-N 2 1 335.536 3.020 20 0 EGADMP c1nc2c(s1)C[C@@H]([NH+]1C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001173137901 1384921682 /nfs/dbraw/zinc/92/16/82/1384921682.db2.gz OHTIPPXGJZHIBD-KSZLIROESA-N 2 1 339.508 3.064 20 0 EGADMP c1nc2c(s1)C[C@@H]([N@H+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001173137901 1384921683 /nfs/dbraw/zinc/92/16/83/1384921683.db2.gz OHTIPPXGJZHIBD-KSZLIROESA-N 2 1 339.508 3.064 20 0 EGADMP c1nc2c(s1)C[C@@H]([N@@H+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001173137901 1384921684 /nfs/dbraw/zinc/92/16/84/1384921684.db2.gz OHTIPPXGJZHIBD-KSZLIROESA-N 2 1 339.508 3.064 20 0 EGADMP COc1cccc2c1C[C@@H]([N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)CO2 ZINC001173159170 1384926803 /nfs/dbraw/zinc/92/68/03/1384926803.db2.gz CCFJLWYXIJRBEJ-QZTJIDSGSA-N 2 1 344.499 3.339 20 0 EGADMP COc1cccc2c1C[C@@H]([N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)CO2 ZINC001173159170 1384926805 /nfs/dbraw/zinc/92/68/05/1384926805.db2.gz CCFJLWYXIJRBEJ-QZTJIDSGSA-N 2 1 344.499 3.339 20 0 EGADMP CC[N@H+]1CC[C@H](N2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001173354562 1384963416 /nfs/dbraw/zinc/96/34/16/1384963416.db2.gz PYNKIVUOTBBAER-INIZCTEOSA-N 2 1 341.421 3.049 20 0 EGADMP C[C@H](CCc1ccc(Cl)c(Cl)c1)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001173537419 1384979954 /nfs/dbraw/zinc/97/99/54/1384979954.db2.gz ADIWIVPUOOLBKT-DGCLKSJQSA-N 2 1 342.270 3.246 20 0 EGADMP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C1CC[NH+](CCO)CC1 ZINC001173540030 1384980982 /nfs/dbraw/zinc/98/09/82/1384980982.db2.gz VZOYOGWMPWQISB-CYBMUJFWSA-N 2 1 345.314 3.361 20 0 EGADMP CCOC(=O)[C@@H]1CC12CCC([N@H+]1CCCC[C@@H](CCC[NH3+])C1)CC2 ZINC001173613982 1384988422 /nfs/dbraw/zinc/98/84/22/1384988422.db2.gz MLFMJVFMODQGIJ-FFEBTUMSSA-N 2 1 336.520 3.339 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC001173723510 1385010034 /nfs/dbraw/zinc/01/00/34/1385010034.db2.gz IIGBTMXFCNHOMQ-BXWFABGCSA-N 2 1 332.488 3.113 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCC[N@H+](C)CC1CCCCC1)c1ccccc1 ZINC001317466797 1385159993 /nfs/dbraw/zinc/15/99/93/1385159993.db2.gz HKFPJHDJRRJGSB-HXUWFJFHSA-N 2 1 345.531 3.308 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCC[N@@H+](C)CC1CCCCC1)c1ccccc1 ZINC001317466797 1385159994 /nfs/dbraw/zinc/15/99/94/1385159994.db2.gz HKFPJHDJRRJGSB-HXUWFJFHSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC2CC2)C1 ZINC001174882601 1385164818 /nfs/dbraw/zinc/16/48/18/1385164818.db2.gz UPMGDIQVZVJGRI-IEBWSBKVSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175262114 1385232257 /nfs/dbraw/zinc/23/22/57/1385232257.db2.gz AZJDRKHCHNNWNI-RTBURBONSA-N 2 1 349.563 3.483 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175262571 1385233250 /nfs/dbraw/zinc/23/32/50/1385233250.db2.gz HQYCDLICEIWEDN-MSOLQXFVSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001175262303 1385233358 /nfs/dbraw/zinc/23/33/58/1385233358.db2.gz FPNUBOCHTDXWNA-MOPGFXCFSA-N 2 1 345.531 3.101 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175297268 1385242876 /nfs/dbraw/zinc/24/28/76/1385242876.db2.gz SLJFFTVHURAXOK-KRWDZBQOSA-N 2 1 327.557 3.275 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC001175301387 1385244290 /nfs/dbraw/zinc/24/42/90/1385244290.db2.gz SBZIAUPDUDCNQA-BHDDXSALSA-N 2 1 338.495 3.405 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC001175301387 1385244295 /nfs/dbraw/zinc/24/42/95/1385244295.db2.gz SBZIAUPDUDCNQA-BHDDXSALSA-N 2 1 338.495 3.405 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CC1 ZINC001175739530 1385391512 /nfs/dbraw/zinc/39/15/12/1385391512.db2.gz QAOQKZYNTXNDFO-QGZVFWFLSA-N 2 1 325.541 3.173 20 0 EGADMP CC[NH+]1CCN(c2ccc(Nc3cccc4[nH+]cn(C)c43)cc2)CC1 ZINC001175781027 1385402837 /nfs/dbraw/zinc/40/28/37/1385402837.db2.gz CRJOMYPBTBCOBV-UHFFFAOYSA-N 2 1 335.455 3.459 20 0 EGADMP CC(C)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)c1ccccc1 ZINC001317724034 1385424353 /nfs/dbraw/zinc/42/43/53/1385424353.db2.gz LBEUCTJBJQZDAJ-SFHVURJKSA-N 2 1 342.487 3.110 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001317769554 1385459530 /nfs/dbraw/zinc/45/95/30/1385459530.db2.gz FSSJJRVEWYPAQT-SFHVURJKSA-N 2 1 348.535 3.331 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001317769554 1385459532 /nfs/dbraw/zinc/45/95/32/1385459532.db2.gz FSSJJRVEWYPAQT-SFHVURJKSA-N 2 1 348.535 3.331 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]C/C=C\c1ccccc1 ZINC001176024499 1385464027 /nfs/dbraw/zinc/46/40/27/1385464027.db2.gz PBTAUCBBSGZBKU-LMICACPXSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176165245 1385500635 /nfs/dbraw/zinc/50/06/35/1385500635.db2.gz KGGAFHUZJFNXBO-SJORKVTESA-N 2 1 325.541 3.029 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176165194 1385501256 /nfs/dbraw/zinc/50/12/56/1385501256.db2.gz JCTUIEDACJPGBW-HMTUNPETSA-N 2 1 337.552 3.339 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001176166580 1385501282 /nfs/dbraw/zinc/50/12/82/1385501282.db2.gz SKDDQMZKRKELEM-QUCCMNQESA-N 2 1 345.531 3.101 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CC(C)(C)C ZINC001318214540 1385630432 /nfs/dbraw/zinc/63/04/32/1385630432.db2.gz GRMSHEXMHLDOJZ-NEWSRXKRSA-N 2 1 343.515 3.011 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001318214540 1385630433 /nfs/dbraw/zinc/63/04/33/1385630433.db2.gz GRMSHEXMHLDOJZ-NEWSRXKRSA-N 2 1 343.515 3.011 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001318214540 1385630437 /nfs/dbraw/zinc/63/04/37/1385630437.db2.gz GRMSHEXMHLDOJZ-NEWSRXKRSA-N 2 1 343.515 3.011 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCC(C)CC1 ZINC001176591034 1385634475 /nfs/dbraw/zinc/63/44/75/1385634475.db2.gz GMAAUQAWCKCZPM-HFCFLWKCSA-N 2 1 348.535 3.282 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176592451 1385635989 /nfs/dbraw/zinc/63/59/89/1385635989.db2.gz ZDQMVRUTLNILKH-LXXRFIIISA-N 2 1 334.508 3.203 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001318429735 1385685955 /nfs/dbraw/zinc/68/59/55/1385685955.db2.gz SMRVEVBNKQEAOL-ZWKOTPCHSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001318429735 1385685959 /nfs/dbraw/zinc/68/59/59/1385685959.db2.gz SMRVEVBNKQEAOL-ZWKOTPCHSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001318429735 1385685964 /nfs/dbraw/zinc/68/59/64/1385685964.db2.gz SMRVEVBNKQEAOL-ZWKOTPCHSA-N 2 1 339.568 3.179 20 0 EGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001176760151 1385686999 /nfs/dbraw/zinc/68/69/99/1385686999.db2.gz QJNGLWXLODHCDR-IEBWSBKVSA-N 2 1 333.520 3.354 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)c1ccccc1 ZINC001176759566 1385687048 /nfs/dbraw/zinc/68/70/48/1385687048.db2.gz JZODPCHDMFOOAO-ROUUACIJSA-N 2 1 333.520 3.352 20 0 EGADMP CCC/C=C/CC[NH2+]CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001177016358 1385773736 /nfs/dbraw/zinc/77/37/36/1385773736.db2.gz KLWUCMZXTMGBJJ-GHOSXJJBSA-N 2 1 331.504 3.132 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)[N@@H+](C)CC ZINC001177352650 1385925293 /nfs/dbraw/zinc/92/52/93/1385925293.db2.gz GALKYVRNJOXHEF-UHFFFAOYSA-N 2 1 325.541 3.125 20 0 EGADMP CC[C@@H](F)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)C(C)C ZINC001177488898 1385975956 /nfs/dbraw/zinc/97/59/56/1385975956.db2.gz OBGZZGFOONCZML-GOSISDBHSA-N 2 1 343.531 3.073 20 0 EGADMP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC001178045748 1386115821 /nfs/dbraw/zinc/11/58/21/1386115821.db2.gz UMUICFJDSGYQTJ-LPHOPBHVSA-N 2 1 349.494 3.247 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001319532672 1386165080 /nfs/dbraw/zinc/16/50/80/1386165080.db2.gz QYDLLCIEQCPJQZ-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc3ncccc3c2)C1 ZINC001178463363 1386224755 /nfs/dbraw/zinc/22/47/55/1386224755.db2.gz ODQFCAMDSHTHPD-NRFANRHFSA-N 2 1 347.462 3.091 20 0 EGADMP CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001178490369 1386234174 /nfs/dbraw/zinc/23/41/74/1386234174.db2.gz LEHIRBKWBCPHIN-GOSISDBHSA-N 2 1 337.552 3.317 20 0 EGADMP FC1(F)Oc2ccc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cc2O1 ZINC001179266731 1386435488 /nfs/dbraw/zinc/43/54/88/1386435488.db2.gz WTFDLGBJTYLDHC-HNNXBMFYSA-N 2 1 338.398 3.220 20 0 EGADMP FC1(F)Oc2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cc2O1 ZINC001179266731 1386435491 /nfs/dbraw/zinc/43/54/91/1386435491.db2.gz WTFDLGBJTYLDHC-HNNXBMFYSA-N 2 1 338.398 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CCCC3CCC3)[C@@H]2C)C1 ZINC001179388484 1386471278 /nfs/dbraw/zinc/47/12/78/1386471278.db2.gz JISQXACZBFZBJR-SXLOBPIMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCCCCCC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001179586561 1386524598 /nfs/dbraw/zinc/52/45/98/1386524598.db2.gz QHPOFESKZRHFHM-SFHVURJKSA-N 2 1 349.563 3.175 20 0 EGADMP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001179714259 1386562340 /nfs/dbraw/zinc/56/23/40/1386562340.db2.gz MWTBWONYOHRMEY-MRXNPFEDSA-N 2 1 340.487 3.021 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]C/C=C\Cl ZINC001179746265 1386570179 /nfs/dbraw/zinc/57/01/79/1386570179.db2.gz SJWZLBRIUOQFPG-CCCPALQASA-N 2 1 343.943 3.268 20 0 EGADMP CC[NH+]1CCC(C[N@H+](Cc2ccccc2OC)C[C@H]2CCCO2)CC1 ZINC001179864179 1386610960 /nfs/dbraw/zinc/61/09/60/1386610960.db2.gz URDNZABOPDJZBG-HXUWFJFHSA-N 2 1 346.515 3.408 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2c(Cl)nc(OC)n2C)CC1 ZINC001320480679 1386621459 /nfs/dbraw/zinc/62/14/59/1386621459.db2.gz RGEWUCKJESSLGJ-UHFFFAOYSA-N 2 1 342.915 3.026 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(Cl)nc(OC)n2C)CC1 ZINC001320480679 1386621462 /nfs/dbraw/zinc/62/14/62/1386621462.db2.gz RGEWUCKJESSLGJ-UHFFFAOYSA-N 2 1 342.915 3.026 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCCCCC[NH2+]CC1CC1)c1ccccc1 ZINC001180039917 1386677835 /nfs/dbraw/zinc/67/78/35/1386677835.db2.gz QVRLXEXACWAYDM-FQEVSTJZSA-N 2 1 345.531 3.356 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]Cc1c(C)cccc1C ZINC001180120918 1386703120 /nfs/dbraw/zinc/70/31/20/1386703120.db2.gz BYNRYBFUDOQKIY-UHFFFAOYSA-N 2 1 347.547 3.411 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+][C@@H](C)c1ccccc1 ZINC001180124491 1386704975 /nfs/dbraw/zinc/70/49/75/1386704975.db2.gz YAYSOUDZAPGSAQ-SFHVURJKSA-N 2 1 333.520 3.356 20 0 EGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001180352993 1386772643 /nfs/dbraw/zinc/77/26/43/1386772643.db2.gz XPBMKUFZUQEXQU-WOQGQJNTSA-N 2 1 337.552 3.482 20 0 EGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001180372720 1386778041 /nfs/dbraw/zinc/77/80/41/1386778041.db2.gz IASCMKBJUKCJPG-UEKDZROGSA-N 2 1 337.552 3.483 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001321472389 1386911953 /nfs/dbraw/zinc/91/19/53/1386911953.db2.gz SHRXVZJDCVOKPV-FQEVSTJZSA-N 2 1 345.531 3.361 20 0 EGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001182152949 1387113671 /nfs/dbraw/zinc/11/36/71/1387113671.db2.gz UMVZXGQLFAEDBH-BBWFWOEESA-N 2 1 341.540 3.484 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001182152949 1387113672 /nfs/dbraw/zinc/11/36/72/1387113672.db2.gz UMVZXGQLFAEDBH-BBWFWOEESA-N 2 1 341.540 3.484 20 0 EGADMP CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1cccc2ccccc21)[NH+](C)C ZINC001322244663 1387118428 /nfs/dbraw/zinc/11/84/28/1387118428.db2.gz OIHLMIQNUMRUSU-UZLBHIALSA-N 2 1 341.499 3.117 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001182614183 1387196325 /nfs/dbraw/zinc/19/63/25/1387196325.db2.gz FJPVQASJUDSSDB-QLUPPNIVSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001329462797 1389119231 /nfs/dbraw/zinc/11/92/31/1389119231.db2.gz ZUFWZSZBBDDUPN-LPHOPBHVSA-N 2 1 331.504 3.059 20 0 EGADMP Fc1cccc(-c2nc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)co2)c1 ZINC001329490094 1389130282 /nfs/dbraw/zinc/13/02/82/1389130282.db2.gz DDNOHYHMTIKSPC-UHFFFAOYSA-N 2 1 329.419 3.446 20 0 EGADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001336890024 1389197533 /nfs/dbraw/zinc/19/75/33/1389197533.db2.gz ZOXYNNZJADBABQ-BBTUJRGHSA-N 2 1 338.499 3.343 20 0 EGADMP CCCC[C@H](C[NH2+]Cc1cc(C)cc(C)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001329886034 1389245102 /nfs/dbraw/zinc/24/51/02/1389245102.db2.gz BKXLXMWGNBMRNE-WOJBJXKFSA-N 2 1 345.531 3.162 20 0 EGADMP O[C@H]1CC[N@H+](C2CCN(Cc3ccc(-c4ccccc4)s3)CC2)C1 ZINC001330413282 1389405528 /nfs/dbraw/zinc/40/55/28/1389405528.db2.gz UCHKBKPGJMPCHA-SFHVURJKSA-N 2 1 342.508 3.446 20 0 EGADMP C[NH2+]CCc1ccccc1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001331001339 1389592818 /nfs/dbraw/zinc/59/28/18/1389592818.db2.gz UJIQMHXQVZENMS-UHFFFAOYSA-N 2 1 345.874 3.416 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)[C@H](CC)c2ccccc2)CC1 ZINC001331068813 1389619310 /nfs/dbraw/zinc/61/93/10/1389619310.db2.gz NCQGAHFCBDJZKB-HXUWFJFHSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@H+](C)[C@H](CC)c2ccccc2)CC1 ZINC001331068813 1389619313 /nfs/dbraw/zinc/61/93/13/1389619313.db2.gz NCQGAHFCBDJZKB-HXUWFJFHSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](C)[C@H](CC)c2ccccc2)CC1 ZINC001331068813 1389619316 /nfs/dbraw/zinc/61/93/16/1389619316.db2.gz NCQGAHFCBDJZKB-HXUWFJFHSA-N 2 1 345.531 3.402 20 0 EGADMP CC(C)n1ncc2c1[C@@H]([NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])CCC2 ZINC001331819088 1389878715 /nfs/dbraw/zinc/87/87/15/1389878715.db2.gz BHKNAFZHLLKSAJ-ZYSHUDEJSA-N 2 1 326.488 3.390 20 0 EGADMP CC[NH+](CC)Cc1ccc(-c2nc([C@H]([NH3+])c3ccccc3)no2)o1 ZINC001332317760 1390085033 /nfs/dbraw/zinc/08/50/33/1390085033.db2.gz JDJRQAPQEDHICF-MRXNPFEDSA-N 2 1 326.400 3.220 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)C1 ZINC001340514724 1390303253 /nfs/dbraw/zinc/30/32/53/1390303253.db2.gz LPRNXFGVBFQAPA-DLBZAZTESA-N 2 1 329.488 3.196 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCSCCC[NH3+])cc2)C1 ZINC001340802239 1390371373 /nfs/dbraw/zinc/37/13/73/1390371373.db2.gz FBKNXDNXHSWULD-MRXNPFEDSA-N 2 1 349.544 3.329 20 0 EGADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1C[C@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001333839729 1390419481 /nfs/dbraw/zinc/41/94/81/1390419481.db2.gz BWMUIOSBKDINJP-IIAWOOMASA-N 2 1 346.906 3.389 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)o1 ZINC001333890421 1390431069 /nfs/dbraw/zinc/43/10/69/1390431069.db2.gz CLWWKCAPVVLLHQ-BQFCYCMXSA-N 2 1 342.487 3.151 20 0 EGADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1C ZINC001334198325 1390496866 /nfs/dbraw/zinc/49/68/66/1390496866.db2.gz KTDHINHZJXUIRU-UHFFFAOYSA-N 2 1 330.472 3.278 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C2([NH2+]C)CCC2)c1 ZINC001341718035 1390521500 /nfs/dbraw/zinc/52/15/00/1390521500.db2.gz YXCWDLDSFUZDAI-UHFFFAOYSA-N 2 1 331.504 3.067 20 0 EGADMP [NH3+][C@@H](CCC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC001342141777 1390577464 /nfs/dbraw/zinc/57/74/64/1390577464.db2.gz WJPPKMLVPJGOAE-SFHVURJKSA-N 2 1 338.455 3.491 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CN3C[C@@](C)(C4CCCC4)CC3=O)C[C@@H]2C1 ZINC001345108202 1390837862 /nfs/dbraw/zinc/83/78/62/1390837862.db2.gz JDONQLPWMXOTMT-FKPGQJDZSA-N 2 1 347.547 3.035 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CN3C[C@@](C)(C4CCCC4)CC3=O)C[C@H]2C1 ZINC001345108205 1390837998 /nfs/dbraw/zinc/83/79/98/1390837998.db2.gz JDONQLPWMXOTMT-ZJSJBZJDSA-N 2 1 347.547 3.035 20 0 EGADMP COc1ccc(C[C@@H](C)[N@@H+](C)C[C@@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC001345204852 1390847631 /nfs/dbraw/zinc/84/76/31/1390847631.db2.gz PLERSDZAHJGROZ-VQIMIIECSA-N 2 1 342.483 3.309 20 0 EGADMP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)sc2C1 ZINC001345956185 1390897110 /nfs/dbraw/zinc/89/71/10/1390897110.db2.gz MTAOSCMZSZRUNE-BZUAXINKSA-N 2 1 333.545 3.480 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccccc2F)c1 ZINC001346204492 1390915252 /nfs/dbraw/zinc/91/52/52/1390915252.db2.gz UCSADLLJKNZRSK-HXUWFJFHSA-N 2 1 330.447 3.489 20 0 EGADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)c(F)c1 ZINC001346289371 1390920116 /nfs/dbraw/zinc/92/01/16/1390920116.db2.gz UAXBEYNXKCNKLH-RDTXWAMCSA-N 2 1 340.870 3.224 20 0 EGADMP Fc1ccccc1-c1cnc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)o1 ZINC001349487350 1391334545 /nfs/dbraw/zinc/33/45/45/1391334545.db2.gz RRTWENYPBYYLML-UHFFFAOYSA-N 2 1 329.419 3.446 20 0 EGADMP Cn1nc(CCC[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1-c1ccc(F)cc1 ZINC001350359099 1391452938 /nfs/dbraw/zinc/45/29/38/1391452938.db2.gz PZTTUJKVHDEAIG-MRXNPFEDSA-N 2 1 344.478 3.090 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3N[C@@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC001350925727 1391560098 /nfs/dbraw/zinc/56/00/98/1391560098.db2.gz DCHGCDUEJNMPET-VAIUHQNPSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3CC[C@@H](C2)C3N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001350925727 1391560100 /nfs/dbraw/zinc/56/01/00/1391560100.db2.gz DCHGCDUEJNMPET-VAIUHQNPSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3CC[C@@H](C2)C3N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001350925727 1391560102 /nfs/dbraw/zinc/56/01/02/1391560102.db2.gz DCHGCDUEJNMPET-VAIUHQNPSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC001350925727 1391560104 /nfs/dbraw/zinc/56/01/04/1391560104.db2.gz DCHGCDUEJNMPET-VAIUHQNPSA-N 3 1 339.527 3.113 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC001350925727 1391560106 /nfs/dbraw/zinc/56/01/06/1391560106.db2.gz DCHGCDUEJNMPET-VAIUHQNPSA-N 3 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001350925727 1391560109 /nfs/dbraw/zinc/56/01/09/1391560109.db2.gz DCHGCDUEJNMPET-VAIUHQNPSA-N 3 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001350925727 1391560110 /nfs/dbraw/zinc/56/01/10/1391560110.db2.gz DCHGCDUEJNMPET-VAIUHQNPSA-N 3 1 339.527 3.113 20 0 EGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001351934836 1391719590 /nfs/dbraw/zinc/71/95/90/1391719590.db2.gz KCFVXSWLBFXGPF-LUKYLMHMSA-N 2 1 339.524 3.142 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cn3ccc(-c4ccsc4)n3)C[C@@H]2C1 ZINC001352760947 1391844599 /nfs/dbraw/zinc/84/45/99/1391844599.db2.gz MWTJRBYOMUTQSU-HYVNUMGLSA-N 2 1 330.501 3.231 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNc2nccnc2C[NH3+])c1 ZINC001354132432 1392121978 /nfs/dbraw/zinc/12/19/78/1392121978.db2.gz QUWADSVCPQNUHW-UHFFFAOYSA-N 2 1 327.476 3.169 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)NC[C@H]1CCCC[N@H+]1CC1CCC1 ZINC001480330838 1392689766 /nfs/dbraw/zinc/68/97/66/1392689766.db2.gz JNASZIZHKYZVNH-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP CCc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)[C@H](CC)[NH+](C)C)cc1 ZINC001480333334 1392693085 /nfs/dbraw/zinc/69/30/85/1392693085.db2.gz RGWWJUKNVWWSEQ-PMACEKPBSA-N 2 1 345.531 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480733633 1392897260 /nfs/dbraw/zinc/89/72/60/1392897260.db2.gz QEQZMTZRTTYUGL-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C[NH2+][C@@H](C)c1ccccc1)CC(C)C ZINC001698878201 1406604700 /nfs/dbraw/zinc/60/47/00/1406604700.db2.gz JGXQXNJFBIRLKS-LPHOPBHVSA-N 2 1 342.487 3.073 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001480920480 1393021437 /nfs/dbraw/zinc/02/14/37/1393021437.db2.gz QXAFPLZWAPUZMQ-QUCCMNQESA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@@H](C)C[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001480975709 1393060501 /nfs/dbraw/zinc/06/05/01/1393060501.db2.gz ZRUUTPBQRBERQQ-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](C)C[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001480975709 1393060507 /nfs/dbraw/zinc/06/05/07/1393060507.db2.gz ZRUUTPBQRBERQQ-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](C)C[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001480975709 1393060508 /nfs/dbraw/zinc/06/05/08/1393060508.db2.gz ZRUUTPBQRBERQQ-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC1CCC(C)(C)CC1 ZINC001480985552 1393068379 /nfs/dbraw/zinc/06/83/79/1393068379.db2.gz FYZGRZMFNLWGKP-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001481119866 1393124857 /nfs/dbraw/zinc/12/48/57/1393124857.db2.gz RPCNKJCOSDQQRP-LJQANCHMSA-N 2 1 337.552 3.127 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001481119866 1393124858 /nfs/dbraw/zinc/12/48/58/1393124858.db2.gz RPCNKJCOSDQQRP-LJQANCHMSA-N 2 1 337.552 3.127 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001481119866 1393124859 /nfs/dbraw/zinc/12/48/59/1393124859.db2.gz RPCNKJCOSDQQRP-LJQANCHMSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1c(C)cccc1C ZINC001481137149 1393130410 /nfs/dbraw/zinc/13/04/10/1393130410.db2.gz DRTGCPHBQLFNBH-UHFFFAOYSA-N 2 1 345.531 3.116 20 0 EGADMP Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)c1 ZINC001490928021 1394376365 /nfs/dbraw/zinc/37/63/65/1394376365.db2.gz IIHVCZQNDIIOTN-WGSAOQKQSA-N 2 1 345.531 3.018 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001481539369 1394401305 /nfs/dbraw/zinc/40/13/05/1394401305.db2.gz FDLZEEFXYHNBOR-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491109841 1394431319 /nfs/dbraw/zinc/43/13/19/1394431319.db2.gz NHBBGOITUQMOPL-QZTJIDSGSA-N 2 1 343.515 3.060 20 0 EGADMP CC1CC(C[N@H+]2CCCC[C@H]2CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001491235333 1394488309 /nfs/dbraw/zinc/48/83/09/1394488309.db2.gz DCCFZWMCWAYICM-MHJFOBGBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001481748172 1394493044 /nfs/dbraw/zinc/49/30/44/1394493044.db2.gz GUMPDGCDTWXTFD-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001481748172 1394493049 /nfs/dbraw/zinc/49/30/49/1394493049.db2.gz GUMPDGCDTWXTFD-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001481748172 1394493050 /nfs/dbraw/zinc/49/30/50/1394493050.db2.gz GUMPDGCDTWXTFD-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001481748666 1394493158 /nfs/dbraw/zinc/49/31/58/1394493158.db2.gz JRJXTCZQEODUFI-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](CC)c2ccccc2)C1 ZINC001481748666 1394493159 /nfs/dbraw/zinc/49/31/59/1394493159.db2.gz JRJXTCZQEODUFI-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC001481748666 1394493160 /nfs/dbraw/zinc/49/31/60/1394493160.db2.gz JRJXTCZQEODUFI-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(CC)[C@@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001481778724 1394523288 /nfs/dbraw/zinc/52/32/88/1394523288.db2.gz NQQYTDJOUISNMS-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001481778724 1394523291 /nfs/dbraw/zinc/52/32/91/1394523291.db2.gz NQQYTDJOUISNMS-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001481778724 1394523296 /nfs/dbraw/zinc/52/32/96/1394523296.db2.gz NQQYTDJOUISNMS-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H](C)C[NH2+]CC1CCCCC1 ZINC001482336561 1394905196 /nfs/dbraw/zinc/90/51/96/1394905196.db2.gz JDXBHPDSWDOPDL-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001483945835 1395156353 /nfs/dbraw/zinc/15/63/53/1395156353.db2.gz JCGBKEDHTYRCBX-RTBURBONSA-N 2 1 337.552 3.410 20 0 EGADMP C[N@@H+](CCC(=O)NC1(C)CC[NH+](CC2CCC2)CC1)C1CCCCC1 ZINC001483968740 1395168255 /nfs/dbraw/zinc/16/82/55/1395168255.db2.gz OFXZWXVCTHMRLF-UHFFFAOYSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)CC1CC(C)C1)[NH+](C)C ZINC001484557696 1395439516 /nfs/dbraw/zinc/43/95/16/1395439516.db2.gz QMBNJFXKHOVIDB-UHYCVJNDSA-N 2 1 345.531 3.121 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC1CCCCC1 ZINC001484743623 1395499653 /nfs/dbraw/zinc/49/96/53/1395499653.db2.gz DTFNDSMKSXGXFI-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)CC1CCCCC1 ZINC001484743623 1395499656 /nfs/dbraw/zinc/49/96/56/1395499656.db2.gz DTFNDSMKSXGXFI-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CC1CCCCC1 ZINC001484743623 1395499658 /nfs/dbraw/zinc/49/96/58/1395499658.db2.gz DTFNDSMKSXGXFI-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1CC1CCCCC1 ZINC001484987610 1395631599 /nfs/dbraw/zinc/63/15/99/1395631599.db2.gz DCNZXQDQUOWHHL-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CN(CC[N@@H+](C)CCC1CCCC1)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001698988525 1406774871 /nfs/dbraw/zinc/77/48/71/1406774871.db2.gz FLPPAUWVSMPNIZ-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CC[NH+](C)CCC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001698988525 1406774876 /nfs/dbraw/zinc/77/48/76/1406774876.db2.gz FLPPAUWVSMPNIZ-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CC[NH+](C)CCC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001698988525 1406774881 /nfs/dbraw/zinc/77/48/81/1406774881.db2.gz FLPPAUWVSMPNIZ-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)cc1C ZINC001485387075 1395874702 /nfs/dbraw/zinc/87/47/02/1395874702.db2.gz CPRJXJXNFKVRID-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H](C[NH2+]CCC1=CCCCC1)C1CC1 ZINC001485815064 1396157668 /nfs/dbraw/zinc/15/76/68/1396157668.db2.gz GBDMRWQSFDQCLQ-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CCC(CC)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001687428799 1396370103 /nfs/dbraw/zinc/37/01/03/1396370103.db2.gz RASAXOXYQMSFEB-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001494156046 1396388148 /nfs/dbraw/zinc/38/81/48/1396388148.db2.gz FCLWOCPLLMEALX-DLBZAZTESA-N 2 1 349.494 3.009 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001494170124 1396394841 /nfs/dbraw/zinc/39/48/41/1396394841.db2.gz AFBCOBKMTBEUDP-IAGOWNOFSA-N 2 1 349.494 3.009 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001494170124 1396394851 /nfs/dbraw/zinc/39/48/51/1396394851.db2.gz AFBCOBKMTBEUDP-IAGOWNOFSA-N 2 1 349.494 3.009 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001494170124 1396394854 /nfs/dbraw/zinc/39/48/54/1396394854.db2.gz AFBCOBKMTBEUDP-IAGOWNOFSA-N 2 1 349.494 3.009 20 0 EGADMP CC[NH2+]C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C1CCCCC1 ZINC001496319004 1396646517 /nfs/dbraw/zinc/64/65/17/1396646517.db2.gz WOOGJDKIYLMWNM-IBGZPJMESA-N 2 1 337.552 3.316 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001689902852 1404196279 /nfs/dbraw/zinc/19/62/79/1404196279.db2.gz NTYMTGSITDTKKS-VQIMIIECSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001689902849 1404196673 /nfs/dbraw/zinc/19/66/73/1404196673.db2.gz NTYMTGSITDTKKS-APWZRJJASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001690215939 1404424528 /nfs/dbraw/zinc/42/45/28/1404424528.db2.gz FEGQOKAVJWQUSC-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001690295035 1404455283 /nfs/dbraw/zinc/45/52/83/1404455283.db2.gz IHDKXNOHCLJKIJ-NSISKUIASA-N 2 1 345.531 3.450 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2C[NH2+]CCCC2CCCC2)C1 ZINC001690484335 1404600974 /nfs/dbraw/zinc/60/09/74/1404600974.db2.gz OVMJOEKQMBWHQQ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1c(C)cccc1C ZINC001690484097 1404601210 /nfs/dbraw/zinc/60/12/10/1404601210.db2.gz FNQMGAQWMBMIMT-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001690501382 1404613928 /nfs/dbraw/zinc/61/39/28/1404613928.db2.gz KKNCJUIADVLAAZ-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccccc1C[NH2+][C@@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001690606776 1404650177 /nfs/dbraw/zinc/65/01/77/1404650177.db2.gz UYOFBAZQBQFVQC-SFHVURJKSA-N 2 1 345.531 3.244 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2c(C)cccc2C)C1 ZINC001690822960 1404758653 /nfs/dbraw/zinc/75/86/53/1404758653.db2.gz OXSWVFOKXLFUBH-LJQANCHMSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2c(C)cccc2C)C1 ZINC001690822960 1404758656 /nfs/dbraw/zinc/75/86/56/1404758656.db2.gz OXSWVFOKXLFUBH-LJQANCHMSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2c(C)cccc2C)C1 ZINC001690822960 1404758659 /nfs/dbraw/zinc/75/86/59/1404758659.db2.gz OXSWVFOKXLFUBH-LJQANCHMSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)[C@H](C)c1ccccc1F ZINC001691021461 1404935064 /nfs/dbraw/zinc/93/50/64/1404935064.db2.gz AWGLUOVAWWJWGP-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC)[C@H](C)c1ccccc1F ZINC001691021461 1404935071 /nfs/dbraw/zinc/93/50/71/1404935071.db2.gz AWGLUOVAWWJWGP-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC)[C@H](C)c1ccccc1F ZINC001691021461 1404935073 /nfs/dbraw/zinc/93/50/73/1404935073.db2.gz AWGLUOVAWWJWGP-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001691055746 1404975250 /nfs/dbraw/zinc/97/52/50/1404975250.db2.gz PZTMFOFKBYWIOG-OALUTQOASA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)Cc1ccc(C)cc1C ZINC001691055852 1404976940 /nfs/dbraw/zinc/97/69/40/1404976940.db2.gz JFGMYNVKMPEIKZ-UHFFFAOYSA-N 2 1 345.531 3.118 20 0 EGADMP CC(C)(C(=O)NC[C@H]1CC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001691143006 1405076296 /nfs/dbraw/zinc/07/62/96/1405076296.db2.gz ILMGETKLJUMMJY-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1CC[NH+](CC(=O)NCC[N@@H+](CC2CCCCCC2)C2CC2)CC1 ZINC001691230515 1405169875 /nfs/dbraw/zinc/16/98/75/1405169875.db2.gz HJQGVLOLSAZEBR-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001691317580 1405203866 /nfs/dbraw/zinc/20/38/66/1405203866.db2.gz ZMZXVOMDXZVIDY-MOPGFXCFSA-N 2 1 331.504 3.059 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001692011206 1405728864 /nfs/dbraw/zinc/72/88/64/1405728864.db2.gz JSNQKKJQBRLJNU-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001698552444 1406150022 /nfs/dbraw/zinc/15/00/22/1406150022.db2.gz NGVPYYDGMKVIQW-OOFWQKGWSA-N 2 1 335.536 3.045 20 0 EGADMP CCN(C(=O)CC[NH+]1CCCCC1)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001698586984 1406204813 /nfs/dbraw/zinc/20/48/13/1406204813.db2.gz MCWPGVPRNGLWQJ-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CCc1cccc(C[N@@H+]2CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C2)c1 ZINC001698588680 1406208523 /nfs/dbraw/zinc/20/85/23/1406208523.db2.gz RXYHHJQLNPHPQO-UXHICEINSA-N 2 1 345.531 3.012 20 0 EGADMP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001732186014 1428435154 /nfs/dbraw/zinc/43/51/54/1428435154.db2.gz QGBGXASFEMSQRG-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001732186014 1428435156 /nfs/dbraw/zinc/43/51/56/1428435156.db2.gz QGBGXASFEMSQRG-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001732186014 1428435158 /nfs/dbraw/zinc/43/51/58/1428435158.db2.gz QGBGXASFEMSQRG-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP C[C@H](CC[NH2+]Cc1ccccc1C1CC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001699114382 1412516318 /nfs/dbraw/zinc/51/63/18/1412516318.db2.gz GIXATDIWVCLFBK-UZLBHIALSA-N 2 1 343.515 3.033 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CCCc2ccccc21)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001699380172 1412689141 /nfs/dbraw/zinc/68/91/41/1412689141.db2.gz BBXIPISPAIUWSG-VQIMIIECSA-N 2 1 345.531 3.136 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CC1)C1CCCCC1 ZINC001699482171 1412876715 /nfs/dbraw/zinc/87/67/15/1412876715.db2.gz PLAKSTDQNSUMQQ-QUCCMNQESA-N 2 1 349.563 3.316 20 0 EGADMP CCCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001699687206 1413087103 /nfs/dbraw/zinc/08/71/03/1413087103.db2.gz AQBXCAGANOFODU-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001699687206 1413087107 /nfs/dbraw/zinc/08/71/07/1413087107.db2.gz AQBXCAGANOFODU-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001699687206 1413087110 /nfs/dbraw/zinc/08/71/10/1413087110.db2.gz AQBXCAGANOFODU-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1nccn1CCCC(=O)N[C@]1(C)CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001699856850 1413288246 /nfs/dbraw/zinc/28/82/46/1413288246.db2.gz XZEOCKSIWLFAMB-FXAWDEMLSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@]1(C)CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC001699856850 1413288248 /nfs/dbraw/zinc/28/82/48/1413288248.db2.gz XZEOCKSIWLFAMB-FXAWDEMLSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@]1(C)CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001699856850 1413288255 /nfs/dbraw/zinc/28/82/55/1413288255.db2.gz XZEOCKSIWLFAMB-FXAWDEMLSA-N 2 1 348.535 3.235 20 0 EGADMP O=C(NCC1([NH2+]CCC2CC2)CCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001700132445 1413548819 /nfs/dbraw/zinc/54/88/19/1413548819.db2.gz APDAORCWYIDWDN-GOSISDBHSA-N 2 1 347.547 3.070 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001700203515 1413648695 /nfs/dbraw/zinc/64/86/95/1413648695.db2.gz RVXLQWPQOMAEIY-MOPGFXCFSA-N 2 1 345.531 3.369 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2C)CC1 ZINC001700203515 1413648698 /nfs/dbraw/zinc/64/86/98/1413648698.db2.gz RVXLQWPQOMAEIY-MOPGFXCFSA-N 2 1 345.531 3.369 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2ccccc2C)CC1 ZINC001700203515 1413648701 /nfs/dbraw/zinc/64/87/01/1413648701.db2.gz RVXLQWPQOMAEIY-MOPGFXCFSA-N 2 1 345.531 3.369 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CCCC(C)(C)C ZINC001700318992 1413782321 /nfs/dbraw/zinc/78/23/21/1413782321.db2.gz XVOBRLBVWNKASL-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)[C@@H](C)C1 ZINC001700321081 1413786689 /nfs/dbraw/zinc/78/66/89/1413786689.db2.gz WNOJWBKZJOITKJ-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)[C@@H](C)C1 ZINC001700321081 1413786694 /nfs/dbraw/zinc/78/66/94/1413786694.db2.gz WNOJWBKZJOITKJ-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)[C@@H](C)C1 ZINC001700321081 1413786697 /nfs/dbraw/zinc/78/66/97/1413786697.db2.gz WNOJWBKZJOITKJ-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001700365049 1413887292 /nfs/dbraw/zinc/88/72/92/1413887292.db2.gz XIUFSYNPSGJGDA-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCCC[N@H+]2CC2CC2)CCCCC1 ZINC001700529691 1414195625 /nfs/dbraw/zinc/19/56/25/1414195625.db2.gz ZJKWHLLWOCUQKW-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001700555198 1414225329 /nfs/dbraw/zinc/22/53/29/1414225329.db2.gz PKRNGKVMNSTFGR-ZWKOTPCHSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001700556046 1414225820 /nfs/dbraw/zinc/22/58/20/1414225820.db2.gz VTXOJZNTYMYNOL-HZPDHXFCSA-N 2 1 349.494 3.055 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)[C@H](C)c2ccccc2C)CC1 ZINC001700696809 1414355484 /nfs/dbraw/zinc/35/54/84/1414355484.db2.gz PKUKQGOUBBJLRZ-GOSISDBHSA-N 2 1 345.531 3.321 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)[C@H](C)c2ccccc2C)CC1 ZINC001700696809 1414355489 /nfs/dbraw/zinc/35/54/89/1414355489.db2.gz PKUKQGOUBBJLRZ-GOSISDBHSA-N 2 1 345.531 3.321 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)[C@H](C)c2ccccc2C)CC1 ZINC001700696809 1414355492 /nfs/dbraw/zinc/35/54/92/1414355492.db2.gz PKUKQGOUBBJLRZ-GOSISDBHSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)[C@H]1C ZINC001700826742 1414482433 /nfs/dbraw/zinc/48/24/33/1414482433.db2.gz UAQYIIZHHFVVIF-UYAOXDASSA-N 2 1 345.531 3.033 20 0 EGADMP CCC(CC)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001707161492 1417225756 /nfs/dbraw/zinc/22/57/56/1417225756.db2.gz YBYKHGVPZZGRFT-APWZRJJASA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C1CC[NH+](Cc2ccccc2CC)CC1 ZINC001713056615 1417610565 /nfs/dbraw/zinc/61/05/65/1417610565.db2.gz IOSKPXAYBRUZTR-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP CCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC[NH+](CC2CC2)CC1 ZINC001713101182 1417654779 /nfs/dbraw/zinc/65/47/79/1417654779.db2.gz PHIHGZOLHIHZOY-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C1CC[NH+](CCC)CC1 ZINC001713101727 1417655260 /nfs/dbraw/zinc/65/52/60/1417655260.db2.gz YQXUPTNRJZIZGG-UHFFFAOYSA-N 2 1 334.508 3.120 20 0 EGADMP Cc1ccccc1C[N@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001713134406 1417712775 /nfs/dbraw/zinc/71/27/75/1417712775.db2.gz MZZHZBSZKUHNLX-IBGZPJMESA-N 2 1 345.531 3.007 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001713259157 1417866055 /nfs/dbraw/zinc/86/60/55/1417866055.db2.gz MOMHCIBNJRHNOV-FQEVSTJZSA-N 2 1 343.515 3.033 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001713399965 1418020948 /nfs/dbraw/zinc/02/09/48/1418020948.db2.gz WVGOFPDNJISYGE-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP Cc1cccc(C)c1C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001713469170 1418135061 /nfs/dbraw/zinc/13/50/61/1418135061.db2.gz BLYIYZBREUMBKO-HXUWFJFHSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1cccc(C)c1C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001713469170 1418135065 /nfs/dbraw/zinc/13/50/65/1418135065.db2.gz BLYIYZBREUMBKO-HXUWFJFHSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001713469170 1418135067 /nfs/dbraw/zinc/13/50/67/1418135067.db2.gz BLYIYZBREUMBKO-HXUWFJFHSA-N 2 1 345.531 3.114 20 0 EGADMP CC[C@H](C(=O)NCC[N@@H+](CC1CCC(C)(C)CC1)C1CC1)[NH+](C)C ZINC001713565084 1418373795 /nfs/dbraw/zinc/37/37/95/1418373795.db2.gz XQRXIIKTSXVFIX-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CCCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001713714457 1418478242 /nfs/dbraw/zinc/47/82/42/1418478242.db2.gz DYTKOBLIBXMLDB-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001713720296 1418491014 /nfs/dbraw/zinc/49/10/14/1418491014.db2.gz SSZLWWTVIOFQMM-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001713785527 1418602513 /nfs/dbraw/zinc/60/25/13/1418602513.db2.gz IVAXOHOBTIGTAK-UHFFFAOYSA-N 2 1 345.531 3.150 20 0 EGADMP CCN(C(=O)CCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001714053368 1418852164 /nfs/dbraw/zinc/85/21/64/1418852164.db2.gz KKPPQFMCSNTOAT-MHJFOBGBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](CNC(=O)CCc1cnc[nH]1)[NH2+][C@H](C)c1ccccc1Cl ZINC001714080916 1418874443 /nfs/dbraw/zinc/87/44/43/1418874443.db2.gz SUYDNUFJVFIYSM-ZIAGYGMSSA-N 2 1 348.878 3.241 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001714110155 1418911613 /nfs/dbraw/zinc/91/16/13/1418911613.db2.gz XSLGCJUJNMUXQY-SFHVURJKSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1C ZINC001714117566 1418920732 /nfs/dbraw/zinc/92/07/32/1418920732.db2.gz ZDFCWTAQCUFPEA-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C ZINC001714117566 1418920734 /nfs/dbraw/zinc/92/07/34/1418920734.db2.gz ZDFCWTAQCUFPEA-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1C ZINC001714117566 1418920737 /nfs/dbraw/zinc/92/07/37/1418920737.db2.gz ZDFCWTAQCUFPEA-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C[NH2+]CC1CCCCCC1 ZINC001714426908 1419161164 /nfs/dbraw/zinc/16/11/64/1419161164.db2.gz PDSAHMYXWBQFCN-KRWDZBQOSA-N 2 1 339.568 3.277 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)CCNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001714569549 1419299173 /nfs/dbraw/zinc/29/91/73/1419299173.db2.gz NTPPAEGTQBSYGI-GOSISDBHSA-N 2 1 345.531 3.224 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@H](C)c2cccc(F)c2)CC1 ZINC001714569888 1419300002 /nfs/dbraw/zinc/30/00/02/1419300002.db2.gz RCQKJOKKTPDAIE-MRXNPFEDSA-N 2 1 349.494 3.055 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH]cn1)[C@@H](C)c1ccccc1C ZINC001714593036 1419341308 /nfs/dbraw/zinc/34/13/08/1419341308.db2.gz CYBKVFFCQKAMKI-SJORKVTESA-N 2 1 342.487 3.096 20 0 EGADMP CC[N@H+](CCNC(=O)[C@H](C)Cc1cnc[nH]1)[C@@H](C)c1ccccc1C ZINC001714593036 1419341311 /nfs/dbraw/zinc/34/13/11/1419341311.db2.gz CYBKVFFCQKAMKI-SJORKVTESA-N 2 1 342.487 3.096 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H](C)Cc1cnc[nH]1)[C@@H](C)c1ccccc1C ZINC001714593036 1419341313 /nfs/dbraw/zinc/34/13/13/1419341313.db2.gz CYBKVFFCQKAMKI-SJORKVTESA-N 2 1 342.487 3.096 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H](C)c1ccccc1F ZINC001714655510 1419436482 /nfs/dbraw/zinc/43/64/82/1419436482.db2.gz DXVDIOITCJYMEM-INIZCTEOSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+](CC2CCCCC2)C2CC2)C1 ZINC001714669124 1419458427 /nfs/dbraw/zinc/45/84/27/1419458427.db2.gz PGRDMSJIRNKBGT-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@H+](CC2CCCCC2)C2CC2)C1 ZINC001714669124 1419458429 /nfs/dbraw/zinc/45/84/29/1419458429.db2.gz PGRDMSJIRNKBGT-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@@H+](CC2CCCCC2)C2CC2)C1 ZINC001714669124 1419458431 /nfs/dbraw/zinc/45/84/31/1419458431.db2.gz PGRDMSJIRNKBGT-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCc1ccc(C[N@@H+]2CC[C@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C2)cc1 ZINC001715043610 1419783239 /nfs/dbraw/zinc/78/32/39/1419783239.db2.gz FONAGTFOUUINLC-PMACEKPBSA-N 2 1 345.531 3.012 20 0 EGADMP Cc1ccc(C[NH+](C)CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001715519605 1420205652 /nfs/dbraw/zinc/20/56/52/1420205652.db2.gz HQBYLOQPYCSOSB-FQEVSTJZSA-N 2 1 345.531 3.066 20 0 EGADMP Cc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)c(C)c1 ZINC001715519605 1420205654 /nfs/dbraw/zinc/20/56/54/1420205654.db2.gz HQBYLOQPYCSOSB-FQEVSTJZSA-N 2 1 345.531 3.066 20 0 EGADMP Cc1ccc(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)c(C)c1 ZINC001715519605 1420205657 /nfs/dbraw/zinc/20/56/57/1420205657.db2.gz HQBYLOQPYCSOSB-FQEVSTJZSA-N 2 1 345.531 3.066 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCCC(C)(C)C)C2)CC1 ZINC001715542183 1420240415 /nfs/dbraw/zinc/24/04/15/1420240415.db2.gz DLCJVKDWXITNDB-ROUUACIJSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CCCCC1 ZINC001715875095 1420378390 /nfs/dbraw/zinc/37/83/90/1420378390.db2.gz VLFFZFYTXRAIAP-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CC1CCCCC1 ZINC001715875095 1420378394 /nfs/dbraw/zinc/37/83/94/1420378394.db2.gz VLFFZFYTXRAIAP-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC1CCCCC1 ZINC001715875095 1420378396 /nfs/dbraw/zinc/37/83/96/1420378396.db2.gz VLFFZFYTXRAIAP-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CN(CC[N@@H+](C)Cc1ccc2ccccc2c1)C(=O)CCC[NH+](C)C ZINC001715938112 1420408640 /nfs/dbraw/zinc/40/86/40/1420408640.db2.gz IGRYFVLGZWNBHG-UHFFFAOYSA-N 2 1 341.499 3.072 20 0 EGADMP CC(C)c1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001716018877 1420473638 /nfs/dbraw/zinc/47/36/38/1420473638.db2.gz BMUKUIHRQMTFCE-QGZVFWFLSA-N 2 1 345.531 3.231 20 0 EGADMP CC(C)c1ccccc1C[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001716018877 1420473639 /nfs/dbraw/zinc/47/36/39/1420473639.db2.gz BMUKUIHRQMTFCE-QGZVFWFLSA-N 2 1 345.531 3.231 20 0 EGADMP CC(C)c1ccccc1C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001716018877 1420473642 /nfs/dbraw/zinc/47/36/42/1420473642.db2.gz BMUKUIHRQMTFCE-QGZVFWFLSA-N 2 1 345.531 3.231 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001716501124 1420727890 /nfs/dbraw/zinc/72/78/90/1420727890.db2.gz ALJGUMRIHMRBIR-SJORKVTESA-N 2 1 345.531 3.015 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001716501124 1420727893 /nfs/dbraw/zinc/72/78/93/1420727893.db2.gz ALJGUMRIHMRBIR-SJORKVTESA-N 2 1 345.531 3.015 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001716501124 1420727895 /nfs/dbraw/zinc/72/78/95/1420727895.db2.gz ALJGUMRIHMRBIR-SJORKVTESA-N 2 1 345.531 3.015 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001716662918 1420816469 /nfs/dbraw/zinc/81/64/69/1420816469.db2.gz OUYCIFXZTWIXCB-RTBURBONSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001716662918 1420816473 /nfs/dbraw/zinc/81/64/73/1420816473.db2.gz OUYCIFXZTWIXCB-RTBURBONSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001716662918 1420816477 /nfs/dbraw/zinc/81/64/77/1420816477.db2.gz OUYCIFXZTWIXCB-RTBURBONSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)C1CCCCCC1 ZINC001716713632 1420867593 /nfs/dbraw/zinc/86/75/93/1420867593.db2.gz LYHQTWJCCZFOBI-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001716843507 1420969774 /nfs/dbraw/zinc/96/97/74/1420969774.db2.gz OBTHXPWZMIUMOE-DYESRHJHSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001716843507 1420969777 /nfs/dbraw/zinc/96/97/77/1420969777.db2.gz OBTHXPWZMIUMOE-DYESRHJHSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001716843507 1420969778 /nfs/dbraw/zinc/96/97/78/1420969778.db2.gz OBTHXPWZMIUMOE-DYESRHJHSA-N 2 1 343.515 3.121 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001716877647 1421003013 /nfs/dbraw/zinc/00/30/13/1421003013.db2.gz FEAUGNGAEXNTEM-OXQOHEQNSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@](C)(C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001716880528 1421004742 /nfs/dbraw/zinc/00/47/42/1421004742.db2.gz OTGMHKRCBBUPFJ-OXJNMPFZSA-N 2 1 349.494 3.057 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]C(C)C)CC1)c1ccccc1 ZINC001717125223 1421127397 /nfs/dbraw/zinc/12/73/97/1421127397.db2.gz GHKDAIHBNDLYET-MISYRCLQSA-N 2 1 345.531 3.352 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001717197561 1421164342 /nfs/dbraw/zinc/16/43/42/1421164342.db2.gz AVHLDRGHUWCELF-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001717197561 1421164345 /nfs/dbraw/zinc/16/43/45/1421164345.db2.gz AVHLDRGHUWCELF-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001717197561 1421164347 /nfs/dbraw/zinc/16/43/47/1421164347.db2.gz AVHLDRGHUWCELF-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccc(C[NH+](C)CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001717206083 1421176347 /nfs/dbraw/zinc/17/63/47/1421176347.db2.gz BHLTZKVEKFYJNA-HXUWFJFHSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@H]2CCC[NH+]2C(C)C)cc1 ZINC001717206083 1421176349 /nfs/dbraw/zinc/17/63/49/1421176349.db2.gz BHLTZKVEKFYJNA-HXUWFJFHSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@H]2CCC[NH+]2C(C)C)cc1 ZINC001717206083 1421176351 /nfs/dbraw/zinc/17/63/51/1421176351.db2.gz BHLTZKVEKFYJNA-HXUWFJFHSA-N 2 1 345.531 3.148 20 0 EGADMP CN(CC(C)(C)C[NH2+]CC1CC1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001717457668 1421386786 /nfs/dbraw/zinc/38/67/86/1421386786.db2.gz OXVRNEFJWRNZGT-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C1CC([NH2+][C@H](CC)c2ccccc2)C1 ZINC001717998713 1421766152 /nfs/dbraw/zinc/76/61/52/1421766152.db2.gz HRMMPSITRFPSTA-CTWPCTMYSA-N 2 1 331.504 3.059 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2F)C[C@@H]1C ZINC001733336402 1429521594 /nfs/dbraw/zinc/52/15/94/1429521594.db2.gz UGQDAPYWAAOXIS-FUHWJXTLSA-N 2 1 349.494 3.027 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1(C)CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001733362686 1429548404 /nfs/dbraw/zinc/54/84/04/1429548404.db2.gz JKNYCTNHFIBIKQ-MRXNPFEDSA-N 2 1 349.494 3.199 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@@]2(C1)CCC[NH+](CCC1CC1)C2)CC(C)(C)C ZINC001723691250 1424532502 /nfs/dbraw/zinc/53/25/02/1424532502.db2.gz OJCKRMKMHGJAKI-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CC1)C2)CC(C)(C)C ZINC001723691250 1424532506 /nfs/dbraw/zinc/53/25/06/1424532506.db2.gz OJCKRMKMHGJAKI-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CC1)C2)CC(C)(C)C ZINC001723691250 1424532511 /nfs/dbraw/zinc/53/25/11/1424532511.db2.gz OJCKRMKMHGJAKI-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001723726236 1424550541 /nfs/dbraw/zinc/55/05/41/1424550541.db2.gz FLQULARTGYJLDI-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001723726238 1424550980 /nfs/dbraw/zinc/55/09/80/1424550980.db2.gz FLQULARTGYJLDI-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1(C)CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC001724021482 1424631070 /nfs/dbraw/zinc/63/10/70/1424631070.db2.gz CZBPFYIFSZKJTQ-GOSISDBHSA-N 2 1 345.531 3.369 20 0 EGADMP CC(C)[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001724295290 1424780528 /nfs/dbraw/zinc/78/05/28/1424780528.db2.gz PNXNDCGYQLZVGJ-LJQANCHMSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001724847255 1425201941 /nfs/dbraw/zinc/20/19/41/1425201941.db2.gz VWZHOZSPTZQKFY-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001724847255 1425201945 /nfs/dbraw/zinc/20/19/45/1425201945.db2.gz VWZHOZSPTZQKFY-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001724847255 1425201948 /nfs/dbraw/zinc/20/19/48/1425201948.db2.gz VWZHOZSPTZQKFY-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[N@@H+](C)CCCC(C)(C)C)CC1 ZINC001725048974 1425480150 /nfs/dbraw/zinc/48/01/50/1425480150.db2.gz QMJRLYJMOATKNS-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001725197131 1425751608 /nfs/dbraw/zinc/75/16/08/1425751608.db2.gz SGAGUSSJCFALJT-ROUUACIJSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@H](CCC[NH2+]C/C=C/c1ccccc1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001725402522 1426046300 /nfs/dbraw/zinc/04/63/00/1426046300.db2.gz UFUILNMMLVFCLQ-NYLSAYAHSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)[NH2+]CCc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001731705958 1427759245 /nfs/dbraw/zinc/75/92/45/1427759245.db2.gz XRRZPHSXQTWMFW-HXUWFJFHSA-N 2 1 345.531 3.106 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001731711854 1427771323 /nfs/dbraw/zinc/77/13/23/1427771323.db2.gz DLLHZCGIVDCIEU-IBGZPJMESA-N 2 1 345.531 3.068 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001731721655 1427792411 /nfs/dbraw/zinc/79/24/11/1427792411.db2.gz XCAAKXJBRXFXPT-SFHVURJKSA-N 2 1 339.568 3.467 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001731721655 1427792423 /nfs/dbraw/zinc/79/24/23/1427792423.db2.gz XCAAKXJBRXFXPT-SFHVURJKSA-N 2 1 339.568 3.467 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001731721655 1427792433 /nfs/dbraw/zinc/79/24/33/1427792433.db2.gz XCAAKXJBRXFXPT-SFHVURJKSA-N 2 1 339.568 3.467 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@H+]2CC2CCC(C)(C)CC2)CCC1 ZINC001731830314 1428039196 /nfs/dbraw/zinc/03/91/96/1428039196.db2.gz ZNWYHOLPWCQBCK-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCC(C)(C)CC2)CCC1 ZINC001731830316 1428039262 /nfs/dbraw/zinc/03/92/62/1428039262.db2.gz ZNWYHOLPWCQBCK-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)Cc1ccccc1C ZINC001731873747 1428133825 /nfs/dbraw/zinc/13/38/25/1428133825.db2.gz PTMGNEPSBSWBEY-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)Cc1ccccc1C ZINC001731873747 1428133826 /nfs/dbraw/zinc/13/38/26/1428133826.db2.gz PTMGNEPSBSWBEY-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CCc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001734054487 1437844917 /nfs/dbraw/zinc/84/49/17/1437844917.db2.gz TVMYIJMPIGPJGN-KRWDZBQOSA-N 2 1 347.547 3.163 20 0 EGADMP CCc1cccc(C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001734054487 1437844919 /nfs/dbraw/zinc/84/49/19/1437844919.db2.gz TVMYIJMPIGPJGN-KRWDZBQOSA-N 2 1 347.547 3.163 20 0 EGADMP CCc1cccc(C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001734054487 1437844923 /nfs/dbraw/zinc/84/49/23/1437844923.db2.gz TVMYIJMPIGPJGN-KRWDZBQOSA-N 2 1 347.547 3.163 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+](C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001734060088 1437853378 /nfs/dbraw/zinc/85/33/78/1437853378.db2.gz SMLMHADJXUFSMH-MSOLQXFVSA-N 2 1 345.531 3.224 20 0 EGADMP CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001734062526 1437856694 /nfs/dbraw/zinc/85/66/94/1437856694.db2.gz RFAPNJLGKNWADO-LPHOPBHVSA-N 2 1 347.547 3.261 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CCCC1 ZINC001734105768 1437891940 /nfs/dbraw/zinc/89/19/40/1437891940.db2.gz HQHVMFLGVHFZKK-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCCCC[N@H+]1CCC1CCCC1 ZINC001734105768 1437891941 /nfs/dbraw/zinc/89/19/41/1437891941.db2.gz HQHVMFLGVHFZKK-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001734121275 1437901701 /nfs/dbraw/zinc/90/17/01/1437901701.db2.gz IMHNPQZAWYKPKJ-SJORKVTESA-N 2 1 345.531 3.162 20 0 EGADMP C[C@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1F)[NH+]1CCCCCC1 ZINC001752072393 1440138187 /nfs/dbraw/zinc/13/81/87/1440138187.db2.gz CFJFEYFEKYGXIV-QGZVFWFLSA-N 2 1 349.494 3.028 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)CCCNC(=O)C[C@H]2CC[NH+](C)C2)c1 ZINC001752098487 1440140566 /nfs/dbraw/zinc/14/05/66/1440140566.db2.gz JGQQCQSNJXRNON-RBUKOAKNSA-N 2 1 345.531 3.144 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+](C)CCCNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001752098487 1440140567 /nfs/dbraw/zinc/14/05/67/1440140567.db2.gz JGQQCQSNJXRNON-RBUKOAKNSA-N 2 1 345.531 3.144 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+](C)CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001752098487 1440140569 /nfs/dbraw/zinc/14/05/69/1440140569.db2.gz JGQQCQSNJXRNON-RBUKOAKNSA-N 2 1 345.531 3.144 20 0 EGADMP C[NH+](C)C1(C(=O)NCCC[N@@H+](CC2CC3(CCC3)C2)C2CC2)CCC1 ZINC001752261705 1440162098 /nfs/dbraw/zinc/16/20/98/1440162098.db2.gz QUYORWMXJRGLKP-UHFFFAOYSA-N 2 1 347.547 3.022 20 0 EGADMP CC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001752432596 1440179135 /nfs/dbraw/zinc/17/91/35/1440179135.db2.gz VPYKARVFVJXJLI-YSKLNCTFSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001752525736 1440192698 /nfs/dbraw/zinc/19/26/98/1440192698.db2.gz NVVGJJQRBOFIPU-IBGZPJMESA-N 2 1 345.531 3.332 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H](C[N@H+](C)CCCC2CCC2)C1 ZINC001752525738 1440192796 /nfs/dbraw/zinc/19/27/96/1440192796.db2.gz NWBXYRXACOKFKY-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H](C[N@@H+](C)CCCC2CCC2)C1 ZINC001752525738 1440192797 /nfs/dbraw/zinc/19/27/97/1440192797.db2.gz NWBXYRXACOKFKY-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CCC3CCCC3)CC[C@H]21 ZINC001752706871 1440202701 /nfs/dbraw/zinc/20/27/01/1440202701.db2.gz KKQPLHFDEUJZFC-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]2C[N@H+](CCC3CCCC3)CC[C@H]21 ZINC001752706871 1440202702 /nfs/dbraw/zinc/20/27/02/1440202702.db2.gz KKQPLHFDEUJZFC-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]2C[N@@H+](CCC3CCCC3)CC[C@H]21 ZINC001752706871 1440202703 /nfs/dbraw/zinc/20/27/03/1440202703.db2.gz KKQPLHFDEUJZFC-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CCC2)C1)[NH+]1CCCCC1 ZINC001752790121 1440213589 /nfs/dbraw/zinc/21/35/89/1440213589.db2.gz SFKOORVXXFJJHK-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001752804847 1440215514 /nfs/dbraw/zinc/21/55/14/1440215514.db2.gz UAQICZWVGNKOCM-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001752815787 1440217961 /nfs/dbraw/zinc/21/79/61/1440217961.db2.gz SOEDLHHHJKJKDB-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001752835543 1440227449 /nfs/dbraw/zinc/22/74/49/1440227449.db2.gz GHXMYIQTXNENGE-SJORKVTESA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001752835543 1440227450 /nfs/dbraw/zinc/22/74/50/1440227450.db2.gz GHXMYIQTXNENGE-SJORKVTESA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001752835543 1440227451 /nfs/dbraw/zinc/22/74/51/1440227451.db2.gz GHXMYIQTXNENGE-SJORKVTESA-N 2 1 337.552 3.265 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001752841456 1440230753 /nfs/dbraw/zinc/23/07/53/1440230753.db2.gz QUMARCUQSRWMMR-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001752841456 1440230754 /nfs/dbraw/zinc/23/07/54/1440230754.db2.gz QUMARCUQSRWMMR-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001752841456 1440230755 /nfs/dbraw/zinc/23/07/55/1440230755.db2.gz QUMARCUQSRWMMR-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001752902452 1440243314 /nfs/dbraw/zinc/24/33/14/1440243314.db2.gz BVOPMDWVFNVFAE-APWZRJJASA-N 2 1 349.494 3.013 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C[NH2+]CCC3CCCCCC3)C2)C1 ZINC001752951483 1440252170 /nfs/dbraw/zinc/25/21/70/1440252170.db2.gz HEHMLWUOKAIIIA-ICSRJNTNSA-N 2 1 349.563 3.127 20 0 EGADMP C[N@@H+](CCCC1CCCC1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001752997716 1440263087 /nfs/dbraw/zinc/26/30/87/1440263087.db2.gz SLSLGHOJQYNDLX-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001752997716 1440263088 /nfs/dbraw/zinc/26/30/88/1440263088.db2.gz SLSLGHOJQYNDLX-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001752997716 1440263089 /nfs/dbraw/zinc/26/30/89/1440263089.db2.gz SLSLGHOJQYNDLX-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001752998185 1440263263 /nfs/dbraw/zinc/26/32/63/1440263263.db2.gz AELVKEFQXNDNER-ZMBJWTFHSA-N 2 1 346.519 3.251 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001752998185 1440263264 /nfs/dbraw/zinc/26/32/64/1440263264.db2.gz AELVKEFQXNDNER-ZMBJWTFHSA-N 2 1 346.519 3.251 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC=C(C)C ZINC001753027192 1440271652 /nfs/dbraw/zinc/27/16/52/1440271652.db2.gz FWGDNKAVKARFDM-RTBURBONSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC=C(C)C ZINC001753027192 1440271653 /nfs/dbraw/zinc/27/16/53/1440271653.db2.gz FWGDNKAVKARFDM-RTBURBONSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC=C(C)C ZINC001753027192 1440271654 /nfs/dbraw/zinc/27/16/54/1440271654.db2.gz FWGDNKAVKARFDM-RTBURBONSA-N 2 1 335.536 3.188 20 0 EGADMP C[NH+](C)C1(C(=O)NCCC[C@@H]2CCC[N@H+]2CC2CCCCC2)CCC1 ZINC001753027904 1440272056 /nfs/dbraw/zinc/27/20/56/1440272056.db2.gz UKJJZFNQRQJZKA-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CC1CC(C[N@H+]2CCC[C@@H]2CCCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001753036274 1440274825 /nfs/dbraw/zinc/27/48/25/1440274825.db2.gz VCKAFCJDHAUUKY-UUKMXZOPSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](C(=O)NCCC[C@H]1CCC[N@H+]1CC1CCC1)[NH+]1CCCCCC1 ZINC001753036352 1440274920 /nfs/dbraw/zinc/27/49/20/1440274920.db2.gz WXNAVOWSUBZABW-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CC1CCC(C)CC1 ZINC001753065928 1440285636 /nfs/dbraw/zinc/28/56/36/1440285636.db2.gz DGGJTAWCAYVFCY-ACBHZAAOSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)CC1CCC(C)CC1 ZINC001753065928 1440285637 /nfs/dbraw/zinc/28/56/37/1440285637.db2.gz DGGJTAWCAYVFCY-ACBHZAAOSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)CC1CCC(C)CC1 ZINC001753065928 1440285638 /nfs/dbraw/zinc/28/56/38/1440285638.db2.gz DGGJTAWCAYVFCY-ACBHZAAOSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](CCNC(=O)c1ccc2c[nH+]cn2c1C)CCC1CCCC1 ZINC001753084325 1440295433 /nfs/dbraw/zinc/29/54/33/1440295433.db2.gz KQCCJQSBTHZNGI-UHFFFAOYSA-N 2 1 342.487 3.275 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)CC1CC(C)(C)C1 ZINC001753090854 1440299129 /nfs/dbraw/zinc/29/91/29/1440299129.db2.gz AWBZBHQRDTWYSB-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccsc1)[NH+]1CCCCCC1 ZINC001753112503 1440309430 /nfs/dbraw/zinc/30/94/30/1440309430.db2.gz FBWHQNZRASCFRD-AEFFLSMTSA-N 2 1 349.544 3.093 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001753112877 1440309563 /nfs/dbraw/zinc/30/95/63/1440309563.db2.gz IBVIPWJEBJAFQF-IBGZPJMESA-N 2 1 344.503 3.053 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001753112877 1440309564 /nfs/dbraw/zinc/30/95/64/1440309564.db2.gz IBVIPWJEBJAFQF-IBGZPJMESA-N 2 1 344.503 3.053 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[NH2+][C@H](C)c1ccccc1 ZINC001753191113 1440337614 /nfs/dbraw/zinc/33/76/14/1440337614.db2.gz OSSRMSUBXHGIBD-DLBZAZTESA-N 2 1 342.487 3.206 20 0 EGADMP CN(CC[NH2+]Cc1ccc(F)cc1)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001753206698 1440338775 /nfs/dbraw/zinc/33/87/75/1440338775.db2.gz BJDNMQHEAGQEQX-UHFFFAOYSA-N 2 1 349.494 3.027 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)C12CCC[NH+]1CCC2)Cc1ccsc1 ZINC001753287919 1440349369 /nfs/dbraw/zinc/34/93/69/1440349369.db2.gz BZYFMLRTBJTFEJ-UHFFFAOYSA-N 2 1 349.544 3.093 20 0 EGADMP CC(C)CC[N@@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001753293365 1440351322 /nfs/dbraw/zinc/35/13/22/1440351322.db2.gz CVOOTWFUZYUUMD-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C(C)C ZINC001753293365 1440351323 /nfs/dbraw/zinc/35/13/23/1440351323.db2.gz CVOOTWFUZYUUMD-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C(C)C ZINC001753293365 1440351324 /nfs/dbraw/zinc/35/13/24/1440351324.db2.gz CVOOTWFUZYUUMD-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001753325633 1440366346 /nfs/dbraw/zinc/36/63/46/1440366346.db2.gz YJGQPGBAZUEQNZ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001753325633 1440366347 /nfs/dbraw/zinc/36/63/47/1440366347.db2.gz YJGQPGBAZUEQNZ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001753325633 1440366348 /nfs/dbraw/zinc/36/63/48/1440366348.db2.gz YJGQPGBAZUEQNZ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001753328461 1440367904 /nfs/dbraw/zinc/36/79/04/1440367904.db2.gz TWNSNEOXAHSJNY-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001753328461 1440367905 /nfs/dbraw/zinc/36/79/05/1440367905.db2.gz TWNSNEOXAHSJNY-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001753328461 1440367906 /nfs/dbraw/zinc/36/79/06/1440367906.db2.gz TWNSNEOXAHSJNY-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001753329259 1440368335 /nfs/dbraw/zinc/36/83/35/1440368335.db2.gz XUJPBWWOBGNRBO-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1CC[NH+](CC2CCC2)C1 ZINC001753329259 1440368336 /nfs/dbraw/zinc/36/83/36/1440368336.db2.gz XUJPBWWOBGNRBO-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1CC[NH+](CC2CCC2)C1 ZINC001753329259 1440368337 /nfs/dbraw/zinc/36/83/37/1440368337.db2.gz XUJPBWWOBGNRBO-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CCC2CCCCC2)C1 ZINC001753357963 1440381047 /nfs/dbraw/zinc/38/10/47/1440381047.db2.gz IMNYPEFJMFRVKW-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)CCC2CCCCC2)C1 ZINC001753357963 1440381048 /nfs/dbraw/zinc/38/10/48/1440381048.db2.gz IMNYPEFJMFRVKW-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)CCC2CCCCC2)C1 ZINC001753357963 1440381049 /nfs/dbraw/zinc/38/10/49/1440381049.db2.gz IMNYPEFJMFRVKW-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC1C[NH+](CCCC2CCCC2)C1 ZINC001753381113 1440387662 /nfs/dbraw/zinc/38/76/62/1440387662.db2.gz SFSPBDBLVNNYKR-UHFFFAOYSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NC1C[NH+](CCCC2CCCC2)C1 ZINC001753381113 1440387663 /nfs/dbraw/zinc/38/76/63/1440387663.db2.gz SFSPBDBLVNNYKR-UHFFFAOYSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@H](C(=O)NC1C[NH+](Cc2ccccc2C(C)C)C1)[NH+](CC)CC ZINC001753387140 1440388541 /nfs/dbraw/zinc/38/85/41/1440388541.db2.gz QHDGZWCENWENNS-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001753399073 1440390691 /nfs/dbraw/zinc/39/06/91/1440390691.db2.gz GTISLZWZKAGMNL-SFHVURJKSA-N 2 1 343.515 3.123 20 0 EGADMP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001753426024 1440396802 /nfs/dbraw/zinc/39/68/02/1440396802.db2.gz JTHPYNJKMSENAI-UFYCRDLUSA-N 2 1 343.515 3.155 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001753426024 1440396803 /nfs/dbraw/zinc/39/68/03/1440396803.db2.gz JTHPYNJKMSENAI-UFYCRDLUSA-N 2 1 343.515 3.155 20 0 EGADMP CCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001753426024 1440396804 /nfs/dbraw/zinc/39/68/04/1440396804.db2.gz JTHPYNJKMSENAI-UFYCRDLUSA-N 2 1 343.515 3.155 20 0 EGADMP CCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001753426024 1440396805 /nfs/dbraw/zinc/39/68/05/1440396805.db2.gz JTHPYNJKMSENAI-UFYCRDLUSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001753448786 1440405005 /nfs/dbraw/zinc/40/50/05/1440405005.db2.gz BCNCCSJCBGTMOF-FQEVSTJZSA-N 2 1 345.531 3.331 20 0 EGADMP CC(C)CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001753508361 1440425109 /nfs/dbraw/zinc/42/51/09/1440425109.db2.gz HOSJOYCWWQIOJP-OALUTQOASA-N 2 1 349.563 3.458 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)cc(C)c1 ZINC001753645039 1440455495 /nfs/dbraw/zinc/45/54/95/1440455495.db2.gz QSQRUHBLPIMSTN-UYAOXDASSA-N 2 1 345.531 3.020 20 0 EGADMP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC001753670883 1440462030 /nfs/dbraw/zinc/46/20/30/1440462030.db2.gz LZBGBHXWZWMKNZ-AEFFLSMTSA-N 2 1 349.494 3.056 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCC1 ZINC001753699829 1440468298 /nfs/dbraw/zinc/46/82/98/1440468298.db2.gz DKCGWYUUXFTWMG-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[C@H](C[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001753734685 1440477283 /nfs/dbraw/zinc/47/72/83/1440477283.db2.gz GWEHWENZJSFPFJ-UXHICEINSA-N 2 1 345.531 3.180 20 0 EGADMP CCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001753787924 1440488483 /nfs/dbraw/zinc/48/84/83/1440488483.db2.gz KWBKJOUCQKHGQD-ICSRJNTNSA-N 2 1 335.536 3.023 20 0 EGADMP C[C@H]1CCC[C@H](CC[N@@H+](C)CCN(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001753856324 1440509030 /nfs/dbraw/zinc/50/90/30/1440509030.db2.gz FFBBMYFAJRIQIQ-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001753891819 1440522121 /nfs/dbraw/zinc/52/21/21/1440522121.db2.gz PUXOYXMNJHBHBR-RBUKOAKNSA-N 2 1 346.519 3.036 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001753903431 1440523782 /nfs/dbraw/zinc/52/37/82/1440523782.db2.gz XIBRCJVPANXDLR-RBUKOAKNSA-N 2 1 337.552 3.172 20 0 EGADMP Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001754006771 1440530856 /nfs/dbraw/zinc/53/08/56/1440530856.db2.gz BGKVEKOWAAWSOA-QUCCMNQESA-N 2 1 345.531 3.242 20 0 EGADMP CCN(CC[NH2+]CCCC1CCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001754071508 1440538164 /nfs/dbraw/zinc/53/81/64/1440538164.db2.gz DHLOJJBEWWNVID-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cc(C)sc1C ZINC001754131277 1440543680 /nfs/dbraw/zinc/54/36/80/1440543680.db2.gz ZCHMUJMADQTRBL-OOFWQKGWSA-N 2 1 349.544 3.001 20 0 EGADMP C[C@@H]([NH2+]C/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001754173352 1440547422 /nfs/dbraw/zinc/54/74/22/1440547422.db2.gz LUVWEBAJKQYZDS-OBMMGQTPSA-N 2 1 349.906 3.005 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC1CCCCC1 ZINC001754213371 1440551553 /nfs/dbraw/zinc/55/15/53/1440551553.db2.gz LEPZQKXRTVFXLV-UCFODXPJSA-N 2 1 335.536 3.093 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cc(C)ccc1C ZINC001754309681 1440572639 /nfs/dbraw/zinc/57/26/39/1440572639.db2.gz DLVTWGZTNHALES-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1cc(C)ccc1C ZINC001754309681 1440572640 /nfs/dbraw/zinc/57/26/40/1440572640.db2.gz DLVTWGZTNHALES-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(C)ccc1C ZINC001754309681 1440572641 /nfs/dbraw/zinc/57/26/41/1440572641.db2.gz DLVTWGZTNHALES-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001754318679 1440577026 /nfs/dbraw/zinc/57/70/26/1440577026.db2.gz ITHNSAICTCFOQY-HIFRSBDPSA-N 2 1 348.878 3.043 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001754318679 1440577027 /nfs/dbraw/zinc/57/70/27/1440577027.db2.gz ITHNSAICTCFOQY-HIFRSBDPSA-N 2 1 348.878 3.043 20 0 EGADMP C[C@H](c1ccccc1F)[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001754336669 1440586823 /nfs/dbraw/zinc/58/68/23/1440586823.db2.gz OIPWMERDJYWBEH-DLBZAZTESA-N 2 1 349.494 3.199 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)c1ccccc1 ZINC001754337872 1440587449 /nfs/dbraw/zinc/58/74/49/1440587449.db2.gz MBPKLSASHFNVJJ-SJORKVTESA-N 2 1 342.487 3.169 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001754337872 1440587450 /nfs/dbraw/zinc/58/74/50/1440587450.db2.gz MBPKLSASHFNVJJ-SJORKVTESA-N 2 1 342.487 3.169 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001754350823 1440590798 /nfs/dbraw/zinc/59/07/98/1440590798.db2.gz FZKLYHGBYGNYPH-ROUUACIJSA-N 2 1 337.552 3.027 20 0 EGADMP O=C(N[C@H](C[NH2+]CCC1CC1)C1CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001754449256 1440600663 /nfs/dbraw/zinc/60/06/63/1440600663.db2.gz NUFSDOQMGCPREI-UXHICEINSA-N 2 1 347.547 3.068 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001754543984 1440626786 /nfs/dbraw/zinc/62/67/86/1440626786.db2.gz ULZQQPQJUNIBMD-MOPGFXCFSA-N 2 1 335.536 3.118 20 0 EGADMP CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC=C(C)C)C2)[NH+](CC)CC ZINC001754557223 1440632110 /nfs/dbraw/zinc/63/21/10/1440632110.db2.gz NIQILPUOHSVGDW-TZIWHRDSSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001754565732 1440635305 /nfs/dbraw/zinc/63/53/05/1440635305.db2.gz SJYQTJVBKQZRFG-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001754565732 1440635306 /nfs/dbraw/zinc/63/53/06/1440635306.db2.gz SJYQTJVBKQZRFG-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001754565732 1440635307 /nfs/dbraw/zinc/63/53/07/1440635307.db2.gz SJYQTJVBKQZRFG-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001754566157 1440635744 /nfs/dbraw/zinc/63/57/44/1440635744.db2.gz WUPLVRORUCUYDL-QUCCMNQESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[C@@H](C(=O)N(C)C1C[NH+](CCC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001754587388 1440640273 /nfs/dbraw/zinc/64/02/73/1440640273.db2.gz LIRYGQDKAXDVMV-FQEVSTJZSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C[C@@H]1C ZINC001754604877 1440643083 /nfs/dbraw/zinc/64/30/83/1440643083.db2.gz SHFNNYYHXSTOBE-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CC1CC(C[NH2+]C[C@@H]2CCCN2C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001754615039 1440644336 /nfs/dbraw/zinc/64/43/36/1440644336.db2.gz YXTNVGDDZPDAMP-QLOJAFMTSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@@H+](CC(=O)N[C@@]1(C)CC[NH+](CCCC2CCCC2)C1)C1CCC1 ZINC001754675377 1440659663 /nfs/dbraw/zinc/65/96/63/1440659663.db2.gz ODDDAFOLUKLFAX-FQEVSTJZSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@@]1(C)CC[N@H+](CCCC2CCCC2)C1)C1CCC1 ZINC001754675377 1440659664 /nfs/dbraw/zinc/65/96/64/1440659664.db2.gz ODDDAFOLUKLFAX-FQEVSTJZSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@@]1(C)CC[N@@H+](CCCC2CCCC2)C1)C1CCC1 ZINC001754675377 1440659665 /nfs/dbraw/zinc/65/96/65/1440659665.db2.gz ODDDAFOLUKLFAX-FQEVSTJZSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001754681265 1440662504 /nfs/dbraw/zinc/66/25/04/1440662504.db2.gz CXKULUPBYSXQEY-QUCCMNQESA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001754681265 1440662505 /nfs/dbraw/zinc/66/25/05/1440662505.db2.gz CXKULUPBYSXQEY-QUCCMNQESA-N 2 1 349.494 3.199 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CCCC3CCCC3)C2)CC[N@H+]1C ZINC001754696507 1440667127 /nfs/dbraw/zinc/66/71/27/1440667127.db2.gz YCQWFNQLEYOOKD-QFUCXCTJSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001754957951 1440716928 /nfs/dbraw/zinc/71/69/28/1440716928.db2.gz VSZUEMVDRKQTEH-WFXMLNOXSA-N 2 1 349.563 3.173 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1 ZINC001754992841 1440725056 /nfs/dbraw/zinc/72/50/56/1440725056.db2.gz UBCIQUKFUXVMSG-HDICACEKSA-N 2 1 347.547 3.378 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)CC1)C1CCC1 ZINC001755025599 1440728662 /nfs/dbraw/zinc/72/86/62/1440728662.db2.gz XMTCTHCEJWTNBS-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)CC1)C1CCC1 ZINC001755025599 1440728663 /nfs/dbraw/zinc/72/86/63/1440728663.db2.gz XMTCTHCEJWTNBS-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)CC1)C1CCC1 ZINC001755025599 1440728664 /nfs/dbraw/zinc/72/86/64/1440728664.db2.gz XMTCTHCEJWTNBS-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001755028188 1440729886 /nfs/dbraw/zinc/72/98/86/1440729886.db2.gz BWPNCEDGOZOLFZ-HMECNJMJSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001755028190 1440729965 /nfs/dbraw/zinc/72/99/65/1440729965.db2.gz BWPNCEDGOZOLFZ-PHWHVTFISA-N 2 1 335.536 3.045 20 0 EGADMP CCCCC[N@@H+](C)CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001755039792 1440736497 /nfs/dbraw/zinc/73/64/97/1440736497.db2.gz CUHFSCYEBBIABU-UHFFFAOYSA-N 2 1 330.476 3.227 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001755045558 1440740620 /nfs/dbraw/zinc/74/06/20/1440740620.db2.gz ZQSDOOJNVDUXHD-PKOBYXMFSA-N 2 1 349.494 3.009 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001755045558 1440740621 /nfs/dbraw/zinc/74/06/21/1440740621.db2.gz ZQSDOOJNVDUXHD-PKOBYXMFSA-N 2 1 349.494 3.009 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001755045558 1440740622 /nfs/dbraw/zinc/74/06/22/1440740622.db2.gz ZQSDOOJNVDUXHD-PKOBYXMFSA-N 2 1 349.494 3.009 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001755047432 1440741943 /nfs/dbraw/zinc/74/19/43/1440741943.db2.gz NTDQAJQZVCBARG-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCC1([NH2+]CCCC(C)C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001755073202 1440747318 /nfs/dbraw/zinc/74/73/18/1440747318.db2.gz KOLKFSFRXYRXFO-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCC2CCCC2)CC1(C)C ZINC001755144177 1440762641 /nfs/dbraw/zinc/76/26/41/1440762641.db2.gz XOWGEGUSFVJXAV-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)CC1(C)C ZINC001755144177 1440762642 /nfs/dbraw/zinc/76/26/42/1440762642.db2.gz XOWGEGUSFVJXAV-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)CC1(C)C ZINC001755144177 1440762643 /nfs/dbraw/zinc/76/26/43/1440762643.db2.gz XOWGEGUSFVJXAV-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1CC1CC(C)(C)C1 ZINC001755165641 1440767029 /nfs/dbraw/zinc/76/70/29/1440767029.db2.gz PEYZLAQLCACXDN-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC001755170501 1440768540 /nfs/dbraw/zinc/76/85/40/1440768540.db2.gz FBLWVJCXANRRJU-SCTDSRPQSA-N 2 1 331.504 3.025 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCC1CCCC1 ZINC001755255219 1440792986 /nfs/dbraw/zinc/79/29/86/1440792986.db2.gz DQEFJXWLPIICJL-HZPDHXFCSA-N 2 1 334.508 3.070 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001755273645 1440798353 /nfs/dbraw/zinc/79/83/53/1440798353.db2.gz WRLWKINYMZELRQ-ABHNRTSZSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CC2(CCC2)C1 ZINC001755306975 1440811512 /nfs/dbraw/zinc/81/15/12/1440811512.db2.gz WGNDBEXJCSKJCD-HKUYNNGSSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CC2(CCC2)C1 ZINC001755306975 1440811513 /nfs/dbraw/zinc/81/15/13/1440811513.db2.gz WGNDBEXJCSKJCD-HKUYNNGSSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001755306975 1440811514 /nfs/dbraw/zinc/81/15/14/1440811514.db2.gz WGNDBEXJCSKJCD-HKUYNNGSSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@@H+](C)CC1=CCCCC1 ZINC001755329103 1440823600 /nfs/dbraw/zinc/82/36/00/1440823600.db2.gz WMKHNJVMSZAIJV-KRWDZBQOSA-N 2 1 343.515 3.299 20 0 EGADMP CC(C)CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001755363799 1440833473 /nfs/dbraw/zinc/83/34/73/1440833473.db2.gz MZORLAMDMZAYIG-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001755363799 1440833474 /nfs/dbraw/zinc/83/34/74/1440833474.db2.gz MZORLAMDMZAYIG-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001755363799 1440833475 /nfs/dbraw/zinc/83/34/75/1440833475.db2.gz MZORLAMDMZAYIG-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@H+]1C/C=C\c1ccccc1 ZINC001755367881 1440835585 /nfs/dbraw/zinc/83/55/85/1440835585.db2.gz JZXBFVNRGVCKPO-DBBZSVRUSA-N 2 1 343.515 3.012 20 0 EGADMP Cn1cncc1CC(=O)NC[C@@H]1CCCCC[N@H+]1CCCC(C)(C)C ZINC001755368877 1440836389 /nfs/dbraw/zinc/83/63/89/1440836389.db2.gz XGGRNUOPJFLAIG-KRWDZBQOSA-N 2 1 348.535 3.150 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC001755411309 1440846277 /nfs/dbraw/zinc/84/62/77/1440846277.db2.gz BNDLRZIHNVCJKI-OALUTQOASA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC001755411309 1440846278 /nfs/dbraw/zinc/84/62/78/1440846278.db2.gz BNDLRZIHNVCJKI-OALUTQOASA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC001755411309 1440846279 /nfs/dbraw/zinc/84/62/79/1440846279.db2.gz BNDLRZIHNVCJKI-OALUTQOASA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755415448 1440848462 /nfs/dbraw/zinc/84/84/62/1440848462.db2.gz INVKRWYQNWZJOL-CRAIPNDOSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755415448 1440848463 /nfs/dbraw/zinc/84/84/63/1440848463.db2.gz INVKRWYQNWZJOL-CRAIPNDOSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755415448 1440848464 /nfs/dbraw/zinc/84/84/64/1440848464.db2.gz INVKRWYQNWZJOL-CRAIPNDOSA-N 2 1 349.494 3.054 20 0 EGADMP C[NH+](C)CCC(=O)N1CC2(C1)CCC[N@@H+](CCC1CCCCCC1)C2 ZINC001755457516 1440856383 /nfs/dbraw/zinc/85/63/83/1440856383.db2.gz OYBLCTKKTMVKFJ-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[C@H](C(=O)N1C[C@]2(C)C[N@@H+](CC=C(C)C)C[C@]2(C)C1)[NH+](CC)CC ZINC001755460094 1440856947 /nfs/dbraw/zinc/85/69/47/1440856947.db2.gz BTXHJGYLTRDQQJ-NRSPTQNISA-N 2 1 349.563 3.243 20 0 EGADMP C[C@@H](CCC[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001755498341 1440862424 /nfs/dbraw/zinc/86/24/24/1440862424.db2.gz IPMOFLBGJZMASS-YQVWRLOYSA-N 2 1 337.552 3.172 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CC2=CCCCC2)CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001755686198 1440895888 /nfs/dbraw/zinc/89/58/88/1440895888.db2.gz HTIFMJUXNKMMPP-WMZOPIPTSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]CCCC(C)(C)C)C[C@@H]1C ZINC001755686535 1440896101 /nfs/dbraw/zinc/89/61/01/1440896101.db2.gz MQJPULJCCBMGMM-DLBZAZTESA-N 2 1 348.535 3.412 20 0 EGADMP CCCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC001755700076 1440899747 /nfs/dbraw/zinc/89/97/47/1440899747.db2.gz BYQGUFGDCBMGRX-SVFBPWRDSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001755722249 1440908061 /nfs/dbraw/zinc/90/80/61/1440908061.db2.gz HBNXOSPBRVKWFL-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cc(C)ccc2C)C1 ZINC001755746345 1440912459 /nfs/dbraw/zinc/91/24/59/1440912459.db2.gz HDXBSFPYAVOCQQ-QUCCMNQESA-N 2 1 345.531 3.020 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+][C@@H](C)c2ccccc2)C(C)(C)C1 ZINC001755765455 1440916089 /nfs/dbraw/zinc/91/60/89/1440916089.db2.gz PMAMHVGAMYXWGL-HKUYNNGSSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)N(CC[N@@H+](C)CC1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001755812521 1440921179 /nfs/dbraw/zinc/92/11/79/1440921179.db2.gz RTSJZFQYXHSJNN-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)N(CC[NH+](C)CC1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001755812521 1440921180 /nfs/dbraw/zinc/92/11/80/1440921180.db2.gz RTSJZFQYXHSJNN-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)N(CC[NH+](C)CC1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001755812521 1440921181 /nfs/dbraw/zinc/92/11/81/1440921181.db2.gz RTSJZFQYXHSJNN-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[N@@H+](C)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C(C)C ZINC001755815391 1440923235 /nfs/dbraw/zinc/92/32/35/1440923235.db2.gz JRXPPJKSEHFHHN-ROUUACIJSA-N 2 1 325.541 3.074 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C(C)(C)C ZINC001755825457 1440927094 /nfs/dbraw/zinc/92/70/94/1440927094.db2.gz SVICSAOLLCSXDT-IRXDYDNUSA-N 2 1 339.568 3.418 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C1CC[NH+](CCC(C)C)CC1 ZINC001755851141 1440934980 /nfs/dbraw/zinc/93/49/80/1440934980.db2.gz SUHZPVWKTMCVEF-KRWDZBQOSA-N 2 1 348.535 3.235 20 0 EGADMP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001755862676 1440937059 /nfs/dbraw/zinc/93/70/59/1440937059.db2.gz UBWLVOILBNSRPD-XIMCWOHTSA-N 2 1 335.536 3.185 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001755889246 1440941104 /nfs/dbraw/zinc/94/11/04/1440941104.db2.gz BNFTUMGDWUWXCA-SNAWJCMRSA-N 2 1 345.531 3.110 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001755900184 1440943653 /nfs/dbraw/zinc/94/36/53/1440943653.db2.gz WXBYYNFHDIXSPF-ROUUACIJSA-N 2 1 347.547 3.188 20 0 EGADMP O[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000368470575 168360801 /nfs/dbraw/zinc/36/08/01/168360801.db2.gz NVLDAUYEJRKTBW-BIRZXAFVSA-N 2 1 342.527 3.428 20 0 EGADMP CCc1cnc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)s1 ZINC000130480525 529653109 /nfs/dbraw/zinc/65/31/09/529653109.db2.gz UNZYSMJGFWAHEF-AWEZNQCLSA-N 2 1 333.501 3.497 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000178036780 232065639 /nfs/dbraw/zinc/06/56/39/232065639.db2.gz YQMUNSUQRQRRLF-BBWFWOEESA-N 2 1 332.488 3.162 20 0 EGADMP Cc1ncccc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000103343326 219292943 /nfs/dbraw/zinc/29/29/43/219292943.db2.gz WKLPCOURQQIXOE-CALCHBBNSA-N 2 1 339.483 3.289 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCCCS(C)(=O)=O)cc1 ZINC000186866439 236048266 /nfs/dbraw/zinc/04/82/66/236048266.db2.gz NTRQFWHXTLZZQA-HNNXBMFYSA-N 2 1 349.500 3.046 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000129315839 223043713 /nfs/dbraw/zinc/04/37/13/223043713.db2.gz JXCTWWTVZWXLRE-VNHYZAJKSA-N 2 1 330.394 3.446 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000129315839 223043714 /nfs/dbraw/zinc/04/37/14/223043714.db2.gz JXCTWWTVZWXLRE-VNHYZAJKSA-N 2 1 330.394 3.446 20 0 EGADMP [NH3+]Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000131621733 223250752 /nfs/dbraw/zinc/25/07/52/223250752.db2.gz JAYFZUSVPMXNKR-LJQANCHMSA-N 2 1 341.430 3.278 20 0 EGADMP [NH3+]Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000131621733 223250754 /nfs/dbraw/zinc/25/07/54/223250754.db2.gz JAYFZUSVPMXNKR-LJQANCHMSA-N 2 1 341.430 3.278 20 0 EGADMP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000131621510 223250943 /nfs/dbraw/zinc/25/09/43/223250943.db2.gz JAYFZUSVPMXNKR-IBGZPJMESA-N 2 1 341.430 3.278 20 0 EGADMP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000131621510 223250944 /nfs/dbraw/zinc/25/09/44/223250944.db2.gz JAYFZUSVPMXNKR-IBGZPJMESA-N 2 1 341.430 3.278 20 0 EGADMP C[C@@H]([NH3+])CCC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000193303400 240098004 /nfs/dbraw/zinc/09/80/04/240098004.db2.gz PUVPVBMIBKHRNU-MRXNPFEDSA-N 2 1 331.504 3.195 20 0 EGADMP C[N@@H+](Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1)C[C@@H](O)C[NH3+] ZINC000415068271 309118130 /nfs/dbraw/zinc/11/81/30/309118130.db2.gz MFAHRAGBXVTMLU-NSHDSACASA-N 2 1 345.295 3.473 20 0 EGADMP C[N@H+](Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1)C[C@@H](O)C[NH3+] ZINC000415068271 309118131 /nfs/dbraw/zinc/11/81/31/309118131.db2.gz MFAHRAGBXVTMLU-NSHDSACASA-N 2 1 345.295 3.473 20 0 EGADMP CCC[C@@](C)([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000262697854 245128195 /nfs/dbraw/zinc/12/81/95/245128195.db2.gz FOLMZEKKPGVTOO-OXQOHEQNSA-N 2 1 331.504 3.052 20 0 EGADMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cc4ccccc4[nH]c3=O)C2)[nH+]1 ZINC000111212969 220111235 /nfs/dbraw/zinc/11/12/35/220111235.db2.gz GFNJOGZZPJWKOR-MRXNPFEDSA-N 2 1 348.450 3.166 20 0 EGADMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cc4ccccc4[nH]c3=O)C2)[nH+]1 ZINC000111212969 220111237 /nfs/dbraw/zinc/11/12/37/220111237.db2.gz GFNJOGZZPJWKOR-MRXNPFEDSA-N 2 1 348.450 3.166 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnc3ccccc3c2)[C@@H](C)C1 ZINC000265149787 247250249 /nfs/dbraw/zinc/25/02/49/247250249.db2.gz AZNSRGDFZAGAGC-PXNSSMCTSA-N 2 1 341.499 3.461 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000266415125 248289173 /nfs/dbraw/zinc/28/91/73/248289173.db2.gz OMIBBPLMLQNEKF-IBGZPJMESA-N 2 1 345.531 3.332 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)cc1 ZINC000266415125 248289174 /nfs/dbraw/zinc/28/91/74/248289174.db2.gz OMIBBPLMLQNEKF-IBGZPJMESA-N 2 1 345.531 3.332 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)cc1 ZINC000266415125 248289176 /nfs/dbraw/zinc/28/91/76/248289176.db2.gz OMIBBPLMLQNEKF-IBGZPJMESA-N 2 1 345.531 3.332 20 0 EGADMP c1cnc(Oc2ccc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cc2)cn1 ZINC000266551766 248356098 /nfs/dbraw/zinc/35/60/98/248356098.db2.gz IJQLGXKZVYSMAC-UHFFFAOYSA-N 2 1 338.455 3.375 20 0 EGADMP C[C@H](CC[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000377620562 169048929 /nfs/dbraw/zinc/04/89/29/169048929.db2.gz FCLVEMRYLJFHPB-NQIIRXRSSA-N 2 1 329.532 3.281 20 0 EGADMP C[C@@H](CCc1cccc(F)c1)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377631850 169051677 /nfs/dbraw/zinc/05/16/77/169051677.db2.gz RRSBHEHUPQVXSN-LAUBAEHRSA-N 2 1 347.522 3.247 20 0 EGADMP CCOc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1OC(F)F ZINC000093088740 218192868 /nfs/dbraw/zinc/19/28/68/218192868.db2.gz PNLITBBWWALVIY-UHFFFAOYSA-N 2 1 342.430 3.460 20 0 EGADMP COCCOC1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000093339579 218215800 /nfs/dbraw/zinc/21/58/00/218215800.db2.gz SEUYMRSMPBFVRP-UHFFFAOYSA-N 2 1 348.531 3.272 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1-n1cncn1 ZINC000093563663 218233286 /nfs/dbraw/zinc/23/32/86/218233286.db2.gz GZROCINZHDFELI-LJQANCHMSA-N 2 1 339.487 3.026 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCOCc2ccccc2)[C@H](C)C1 ZINC000268750415 252202246 /nfs/dbraw/zinc/20/22/46/252202246.db2.gz UVHSBDJHPDMANU-CTNGQTDRSA-N 2 1 348.531 3.320 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000268868327 252316381 /nfs/dbraw/zinc/31/63/81/252316381.db2.gz OLDXCLJAOIGWCC-OAHLLOKOSA-N 2 1 338.459 3.130 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000268859449 252308809 /nfs/dbraw/zinc/30/88/09/252308809.db2.gz VDIWPLZJXIFXHI-QGZVFWFLSA-N 2 1 333.520 3.263 20 0 EGADMP Brc1cccc(NCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000352970154 532968222 /nfs/dbraw/zinc/96/82/22/532968222.db2.gz UNBZYJYAYNZJFA-CVEARBPZSA-N 2 1 338.293 3.077 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCO[C@@H]2CCOC2)cc1 ZINC000119108914 221246337 /nfs/dbraw/zinc/24/63/37/221246337.db2.gz MZKDIHXLJBPQFR-DNVCBOLYSA-N 2 1 329.444 3.027 20 0 EGADMP CC1(C)C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000119241902 221274696 /nfs/dbraw/zinc/27/46/96/221274696.db2.gz XFQUENOOKPCPHV-LJQANCHMSA-N 2 1 334.479 3.380 20 0 EGADMP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181630354 533286601 /nfs/dbraw/zinc/28/66/01/533286601.db2.gz JYHBWHPRFPVYEP-VQIMIIECSA-N 2 1 343.515 3.131 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cnc2ccsc2c1 ZINC000133069559 533339652 /nfs/dbraw/zinc/33/96/52/533339652.db2.gz QFLHJAGTTAOPAM-CABCVRRESA-N 2 1 345.512 3.448 20 0 EGADMP C[C@H](C(=O)NC1CCCC1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246990708 141047867 /nfs/dbraw/zinc/04/78/67/141047867.db2.gz OFHCFSGTMJOIHE-KURKYZTESA-N 2 1 335.536 3.020 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(OC)c2)[C@@H](C)C1 ZINC000247004569 141048567 /nfs/dbraw/zinc/04/85/67/141048567.db2.gz LVYGDHHXJSYDIX-PKOBYXMFSA-N 2 1 334.504 3.230 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cc[nH]c(=O)c1 ZINC000339455310 141115300 /nfs/dbraw/zinc/11/53/00/141115300.db2.gz OEWUWXXBYAIGHN-GJYPPUQNSA-N 2 1 325.456 3.491 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cc[nH]c(=O)c1 ZINC000339455310 141115301 /nfs/dbraw/zinc/11/53/01/141115301.db2.gz OEWUWXXBYAIGHN-GJYPPUQNSA-N 2 1 325.456 3.491 20 0 EGADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347919950 141216883 /nfs/dbraw/zinc/21/68/83/141216883.db2.gz AXZCTIMQDBTXFQ-HUUCEWRRSA-N 2 1 333.451 3.007 20 0 EGADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347919950 141216884 /nfs/dbraw/zinc/21/68/84/141216884.db2.gz AXZCTIMQDBTXFQ-HUUCEWRRSA-N 2 1 333.451 3.007 20 0 EGADMP Cc1cccc(C)c1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347918118 141217230 /nfs/dbraw/zinc/21/72/30/141217230.db2.gz AYFXDNOTBCTCDA-MSOLQXFVSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1cccc(C)c1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347918118 141217233 /nfs/dbraw/zinc/21/72/33/141217233.db2.gz AYFXDNOTBCTCDA-MSOLQXFVSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000352966581 141279170 /nfs/dbraw/zinc/27/91/70/141279170.db2.gz JQVQEIKXHNSGDN-NILFDRSVSA-N 2 1 344.425 3.340 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000352966581 141279172 /nfs/dbraw/zinc/27/91/72/141279172.db2.gz JQVQEIKXHNSGDN-NILFDRSVSA-N 2 1 344.425 3.340 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000353470954 141303522 /nfs/dbraw/zinc/30/35/22/141303522.db2.gz QZUPTBVAVLXDBG-IPELMVKDSA-N 2 1 329.488 3.245 20 0 EGADMP CCOc1cc2[nH+]ccc(NCC3=CC[N@@H+](C)CC3)c2cc1OCC ZINC000354593943 141311950 /nfs/dbraw/zinc/31/19/50/141311950.db2.gz CQOCKNQNRQBDGJ-UHFFFAOYSA-N 2 1 341.455 3.128 20 0 EGADMP CC[N@@H+](Cc1ccc(-c2nc(Cc3cncn3C)no2)cc1)C1CC1 ZINC000357968919 141370554 /nfs/dbraw/zinc/37/05/54/141370554.db2.gz DLHVAKUZRXTOSG-UHFFFAOYSA-N 2 1 337.427 3.045 20 0 EGADMP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000359634292 141392678 /nfs/dbraw/zinc/39/26/78/141392678.db2.gz NBAIZJVTUCGJCM-RDJZCZTQSA-N 2 1 344.421 3.334 20 0 EGADMP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000359634292 141392680 /nfs/dbraw/zinc/39/26/80/141392680.db2.gz NBAIZJVTUCGJCM-RDJZCZTQSA-N 2 1 344.421 3.334 20 0 EGADMP CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000185601918 144116244 /nfs/dbraw/zinc/11/62/44/144116244.db2.gz MWKIHTCLKLRPIE-YLJYHZDGSA-N 2 1 343.515 3.019 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186482630 144134906 /nfs/dbraw/zinc/13/49/06/144134906.db2.gz UQNJQQAQLNRILE-UHFFFAOYSA-N 2 1 349.425 3.234 20 0 EGADMP Cc1ccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)n1 ZINC000187137101 144153105 /nfs/dbraw/zinc/15/31/05/144153105.db2.gz HGIPVHCHQWTTGJ-HDICACEKSA-N 2 1 345.531 3.410 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CCSCC1 ZINC000187536412 144160672 /nfs/dbraw/zinc/16/06/72/144160672.db2.gz JUOJHTHGVKKPNY-OXQOHEQNSA-N 2 1 348.556 3.265 20 0 EGADMP COC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CCOCC1 ZINC000188025028 144167666 /nfs/dbraw/zinc/16/76/66/144167666.db2.gz PXMIGUWNDYUTJF-UWJYYQICSA-N 2 1 346.515 3.243 20 0 EGADMP C[C@@H]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000351474010 144266282 /nfs/dbraw/zinc/26/62/82/144266282.db2.gz XCVZWDRYJQHMPZ-CTNGQTDRSA-N 2 1 329.532 3.457 20 0 EGADMP C[C@@H]1CCN(CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000351474010 144266284 /nfs/dbraw/zinc/26/62/84/144266284.db2.gz XCVZWDRYJQHMPZ-CTNGQTDRSA-N 2 1 329.532 3.457 20 0 EGADMP C[C@@H]1CCN(CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000351474010 144266286 /nfs/dbraw/zinc/26/62/86/144266286.db2.gz XCVZWDRYJQHMPZ-CTNGQTDRSA-N 2 1 329.532 3.457 20 0 EGADMP CN(C[C@@H](O)C[N@@H+](CCc1ccc(Cl)cc1)CC1CC1)C1CC1 ZINC000351513900 144272613 /nfs/dbraw/zinc/27/26/13/144272613.db2.gz NHATVUIROGODCC-LJQANCHMSA-N 2 1 336.907 3.050 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH+](CCc1ccc(Cl)cc1)CC1CC1)C1CC1 ZINC000351513900 144272615 /nfs/dbraw/zinc/27/26/15/144272615.db2.gz NHATVUIROGODCC-LJQANCHMSA-N 2 1 336.907 3.050 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH+](CCc1ccc(Cl)cc1)CC1CC1)C1CC1 ZINC000351513900 144272617 /nfs/dbraw/zinc/27/26/17/144272617.db2.gz NHATVUIROGODCC-LJQANCHMSA-N 2 1 336.907 3.050 20 0 EGADMP C[NH+](C[C@@H](O)C[N@H+](CCc1ccc(Cl)cc1)CC1CC1)C1CC1 ZINC000351513900 144272618 /nfs/dbraw/zinc/27/26/18/144272618.db2.gz NHATVUIROGODCC-LJQANCHMSA-N 2 1 336.907 3.050 20 0 EGADMP C[NH+](C[C@@H](O)C[N@@H+](CCc1ccc(Cl)cc1)CC1CC1)C1CC1 ZINC000351513900 144272621 /nfs/dbraw/zinc/27/26/21/144272621.db2.gz NHATVUIROGODCC-LJQANCHMSA-N 2 1 336.907 3.050 20 0 EGADMP C[N@@H+](C[C@H](O)CN1Cc2ccccc2C[C@@H]1c1ccccc1)C1CC1 ZINC000351516316 144273284 /nfs/dbraw/zinc/27/32/84/144273284.db2.gz XKKYSYQJOYLUCJ-FCHUYYIVSA-N 2 1 336.479 3.241 20 0 EGADMP Cc1cccc(C[N@H+](C)CCCN2CCN(c3ccccc3)CC2)n1 ZINC000351884307 144320234 /nfs/dbraw/zinc/32/02/34/144320234.db2.gz XKEVCXBFMKADOC-UHFFFAOYSA-N 2 1 338.499 3.034 20 0 EGADMP Cc1cccc(C[N@@H+](C)CCCN2CCN(c3ccccc3)CC2)n1 ZINC000351884307 144320235 /nfs/dbraw/zinc/32/02/35/144320235.db2.gz XKEVCXBFMKADOC-UHFFFAOYSA-N 2 1 338.499 3.034 20 0 EGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363925560 144376799 /nfs/dbraw/zinc/37/67/99/144376799.db2.gz UGLFORZXBBHECO-XYPHTWIQSA-N 2 1 335.879 3.274 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000341391969 155265526 /nfs/dbraw/zinc/26/55/26/155265526.db2.gz JWKGDXPQNRAAQM-FXAWDEMLSA-N 2 1 343.515 3.203 20 0 EGADMP Cc1nc2ccccc2n1CCCNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000120668144 152292182 /nfs/dbraw/zinc/29/21/82/152292182.db2.gz UFVAMRMMJBAYDM-OWCLPIDISA-N 2 1 342.487 3.112 20 0 EGADMP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000121431051 152350775 /nfs/dbraw/zinc/35/07/75/152350775.db2.gz SRWZEIJXSZGEHK-HNAYVOBHSA-N 2 1 333.451 3.204 20 0 EGADMP C[C@H](CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[N@@H+](C)Cc1ccccc1 ZINC000122068183 152388935 /nfs/dbraw/zinc/38/89/35/152388935.db2.gz GRUXTGRPSZKFPS-MDNKFWRPSA-N 2 1 328.500 3.444 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@]3(C)CCO[C@@H]3C3CC3)sc2C1 ZINC000341559678 155354577 /nfs/dbraw/zinc/35/45/77/155354577.db2.gz PJSHVMHJBSXRPK-MOPGFXCFSA-N 2 1 349.544 3.204 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@]3(C)CCO[C@@H]3C3CC3)sc2C1 ZINC000341559678 155354580 /nfs/dbraw/zinc/35/45/80/155354580.db2.gz PJSHVMHJBSXRPK-MOPGFXCFSA-N 2 1 349.544 3.204 20 0 EGADMP Cc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c(-n2cc(Cl)cn2)n1 ZINC000191529733 153203352 /nfs/dbraw/zinc/20/33/52/153203352.db2.gz NKLVQUKKHAICNH-UHFFFAOYSA-N 2 1 347.894 3.192 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000192042646 153239139 /nfs/dbraw/zinc/23/91/39/153239139.db2.gz NFXQIYUBUPEIDR-IBGZPJMESA-N 2 1 338.499 3.489 20 0 EGADMP CCn1nc(C)c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000192932428 153269181 /nfs/dbraw/zinc/26/91/81/153269181.db2.gz JUEMZDOEOAEQQE-IBGZPJMESA-N 2 1 326.488 3.132 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1F ZINC000193993642 153315013 /nfs/dbraw/zinc/31/50/13/153315013.db2.gz JJFRXIAJNKOEDG-AYOQOUSVSA-N 2 1 341.430 3.367 20 0 EGADMP Cc1ccc([C@H](CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)[NH+]2CCCC2)o1 ZINC000245203964 153571248 /nfs/dbraw/zinc/57/12/48/153571248.db2.gz QQFTVYMXCWGIEN-LAQRGFTBSA-N 2 1 347.503 3.102 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC(F)F)cc1 ZINC000303226707 154041762 /nfs/dbraw/zinc/04/17/62/154041762.db2.gz POMCQRJLEOFKIU-GDBMZVCRSA-N 2 1 342.430 3.031 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000310802511 154145086 /nfs/dbraw/zinc/14/50/86/154145086.db2.gz ATPAOKHOZRBMRM-FQEVSTJZSA-N 2 1 339.483 3.482 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000310802511 154145087 /nfs/dbraw/zinc/14/50/87/154145087.db2.gz ATPAOKHOZRBMRM-FQEVSTJZSA-N 2 1 339.483 3.482 20 0 EGADMP Clc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1OCCCO2 ZINC000322926997 154169943 /nfs/dbraw/zinc/16/99/43/154169943.db2.gz NKUXQEBETPYTPN-LSDHHAIUSA-N 2 1 336.863 3.218 20 0 EGADMP Clc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCCCO2 ZINC000322926997 154169946 /nfs/dbraw/zinc/16/99/46/154169946.db2.gz NKUXQEBETPYTPN-LSDHHAIUSA-N 2 1 336.863 3.218 20 0 EGADMP COC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000336667926 154210259 /nfs/dbraw/zinc/21/02/59/154210259.db2.gz ACXCCXAHNFLXOE-FEKWIAJESA-N 2 1 328.500 3.444 20 0 EGADMP Cc1oc(-c2cccs2)nc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000336868505 154222199 /nfs/dbraw/zinc/22/21/99/154222199.db2.gz UQUKFCSSQMEGCV-UHFFFAOYSA-N 2 1 335.473 3.041 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000340003982 155068168 /nfs/dbraw/zinc/06/81/68/155068168.db2.gz OXDDKXVKKVKJRO-IAGOWNOFSA-N 2 1 348.450 3.069 20 0 EGADMP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc(Cl)c1OC ZINC000346818585 156151030 /nfs/dbraw/zinc/15/10/30/156151030.db2.gz GVQFNKOQDYJGMX-SQWLQELKSA-N 2 1 338.879 3.307 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc(Cl)c1OC ZINC000346818585 156151034 /nfs/dbraw/zinc/15/10/34/156151034.db2.gz GVQFNKOQDYJGMX-SQWLQELKSA-N 2 1 338.879 3.307 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OC)c(O)c1 ZINC000348967820 156303207 /nfs/dbraw/zinc/30/32/07/156303207.db2.gz QSRDQGJQRORPRV-UHFFFAOYSA-N 2 1 328.456 3.485 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(Cl)s1 ZINC000349035383 156325235 /nfs/dbraw/zinc/32/52/35/156325235.db2.gz INPWPQUQOVUSEZ-AWEZNQCLSA-N 2 1 329.941 3.249 20 0 EGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cnc2cc(C)ccn12 ZINC000349157164 156368706 /nfs/dbraw/zinc/36/87/06/156368706.db2.gz YRLRXMONHSXGGM-UHFFFAOYSA-N 2 1 325.460 3.314 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc2cc(C)ccn12 ZINC000349157164 156368716 /nfs/dbraw/zinc/36/87/16/156368716.db2.gz YRLRXMONHSXGGM-UHFFFAOYSA-N 2 1 325.460 3.314 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000349153985 156369761 /nfs/dbraw/zinc/36/97/61/156369761.db2.gz TVSWCNJWQUOYRG-LJQANCHMSA-N 2 1 349.482 3.271 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000362103836 157024197 /nfs/dbraw/zinc/02/41/97/157024197.db2.gz VRWHTYNAGOAXIZ-IBGZPJMESA-N 2 1 338.455 3.030 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(C)nc1-c1cccs1 ZINC000093963549 162034484 /nfs/dbraw/zinc/03/44/84/162034484.db2.gz DDUDXCBJLNRUHJ-CYBMUJFWSA-N 2 1 329.473 3.079 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC(F)F ZINC000125609773 162280630 /nfs/dbraw/zinc/28/06/30/162280630.db2.gz VQDCLWFZTAXEBH-MBNYWOFBSA-N 2 1 328.403 3.115 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC(F)F ZINC000125609773 162280634 /nfs/dbraw/zinc/28/06/34/162280634.db2.gz VQDCLWFZTAXEBH-MBNYWOFBSA-N 2 1 328.403 3.115 20 0 EGADMP COc1ccc(CC[C@@H]2CCCC[N@H+]2CCn2ccnc2)cc1OC ZINC000131027967 162387763 /nfs/dbraw/zinc/38/77/63/162387763.db2.gz IZMVPKWQDYWZEG-SFHVURJKSA-N 2 1 343.471 3.388 20 0 EGADMP OC[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000248416700 163002759 /nfs/dbraw/zinc/00/27/59/163002759.db2.gz PYJITEAZPIEGKJ-PFAUGDHASA-N 2 1 328.500 3.038 20 0 EGADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)o1 ZINC000248445387 163005619 /nfs/dbraw/zinc/00/56/19/163005619.db2.gz MKDAACQYRXKHIZ-CRAIPNDOSA-N 2 1 328.456 3.259 20 0 EGADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)o1 ZINC000248445387 163005620 /nfs/dbraw/zinc/00/56/20/163005620.db2.gz MKDAACQYRXKHIZ-CRAIPNDOSA-N 2 1 328.456 3.259 20 0 EGADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC000248995625 163050736 /nfs/dbraw/zinc/05/07/36/163050736.db2.gz OXUBBIYHNBLJFJ-HHXCZETCSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000248995625 163050739 /nfs/dbraw/zinc/05/07/39/163050739.db2.gz OXUBBIYHNBLJFJ-HHXCZETCSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000248995625 163050741 /nfs/dbraw/zinc/05/07/41/163050741.db2.gz OXUBBIYHNBLJFJ-HHXCZETCSA-N 2 1 327.516 3.254 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000338573607 163278149 /nfs/dbraw/zinc/27/81/49/163278149.db2.gz KALXKHOVARDKIH-FXAWDEMLSA-N 2 1 343.515 3.227 20 0 EGADMP C[C@@H](C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000343775030 164031577 /nfs/dbraw/zinc/03/15/77/164031577.db2.gz TZGYFJKHVOGKGD-KLBVCGFUSA-N 2 1 343.515 3.027 20 0 EGADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000343992111 164078203 /nfs/dbraw/zinc/07/82/03/164078203.db2.gz RFMGFHIPEONFCS-KRWDZBQOSA-N 2 1 347.409 3.077 20 0 EGADMP CC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccccc1F ZINC000343994536 164079099 /nfs/dbraw/zinc/07/90/99/164079099.db2.gz STILXRBBGOMYFS-SFHVURJKSA-N 2 1 331.435 3.402 20 0 EGADMP Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)s2)o1 ZINC000344061844 164093989 /nfs/dbraw/zinc/09/39/89/164093989.db2.gz JUKPHRPRXDCAPL-ZDUSSCGKSA-N 2 1 328.441 3.260 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)sc2C1 ZINC000344198791 164124606 /nfs/dbraw/zinc/12/46/06/164124606.db2.gz CKEJRWPVWJSFTJ-MORSLUCNSA-N 2 1 349.544 3.203 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)sc2C1 ZINC000344198791 164124608 /nfs/dbraw/zinc/12/46/08/164124608.db2.gz CKEJRWPVWJSFTJ-MORSLUCNSA-N 2 1 349.544 3.203 20 0 EGADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCCCC1 ZINC000345749512 164257879 /nfs/dbraw/zinc/25/78/79/164257879.db2.gz LDCZUUPFSNCSDR-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000345809497 164269721 /nfs/dbraw/zinc/26/97/21/164269721.db2.gz DQQJWUIKYQZTRD-QZTJIDSGSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]([C@H](C)c2ccccc2)C2CC2)CC1 ZINC000352831565 165521266 /nfs/dbraw/zinc/52/12/66/165521266.db2.gz LTTPNWKMPJVHMY-QGZVFWFLSA-N 2 1 343.515 3.201 20 0 EGADMP Cc1cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000355415142 166190103 /nfs/dbraw/zinc/19/01/03/166190103.db2.gz GEMZERAQWCBMBC-SFHVURJKSA-N 2 1 348.450 3.493 20 0 EGADMP Cc1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000355415142 166190107 /nfs/dbraw/zinc/19/01/07/166190107.db2.gz GEMZERAQWCBMBC-SFHVURJKSA-N 2 1 348.450 3.493 20 0 EGADMP C[NH+](C)Cc1cc(NC(=O)c2ccc3c[nH+]cn3c2)ccc1Cl ZINC000355663451 166277979 /nfs/dbraw/zinc/27/79/79/166277979.db2.gz KCTXGURHPILHBF-UHFFFAOYSA-N 2 1 328.803 3.302 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000355912244 166345200 /nfs/dbraw/zinc/34/52/00/166345200.db2.gz FENCXZLHTBBTHG-AWEZNQCLSA-N 2 1 338.521 3.015 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000355912244 166345203 /nfs/dbraw/zinc/34/52/03/166345203.db2.gz FENCXZLHTBBTHG-AWEZNQCLSA-N 2 1 338.521 3.015 20 0 EGADMP CC(C)(C[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21)C[NH+]1CCCC1 ZINC000357867420 166797559 /nfs/dbraw/zinc/79/75/59/166797559.db2.gz FESFMURKKPPJIP-INIZCTEOSA-N 2 1 333.451 3.311 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000359118982 167071961 /nfs/dbraw/zinc/07/19/61/167071961.db2.gz WKJAXTQKMBPLNY-SVFBPWRDSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1CCC[NH+](CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000359118982 167071964 /nfs/dbraw/zinc/07/19/64/167071964.db2.gz WKJAXTQKMBPLNY-SVFBPWRDSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1CCC[NH+](CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000359118982 167071967 /nfs/dbraw/zinc/07/19/67/167071967.db2.gz WKJAXTQKMBPLNY-SVFBPWRDSA-N 2 1 329.532 3.361 20 0 EGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)[NH+](C)C ZINC000359474235 167166199 /nfs/dbraw/zinc/16/61/99/167166199.db2.gz RQERUNPQNFQPIQ-LMMKCTJWSA-N 2 1 348.535 3.014 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N(C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000359505392 167174505 /nfs/dbraw/zinc/17/45/05/167174505.db2.gz AUYJDTUGJQJSKH-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000359505392 167174509 /nfs/dbraw/zinc/17/45/09/167174509.db2.gz AUYJDTUGJQJSKH-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000359505392 167174510 /nfs/dbraw/zinc/17/45/10/167174510.db2.gz AUYJDTUGJQJSKH-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N(C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000359505390 167174985 /nfs/dbraw/zinc/17/49/85/167174985.db2.gz AUYJDTUGJQJSKH-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000359505390 167174986 /nfs/dbraw/zinc/17/49/86/167174986.db2.gz AUYJDTUGJQJSKH-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000359505390 167174988 /nfs/dbraw/zinc/17/49/88/167174988.db2.gz AUYJDTUGJQJSKH-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CCOC(=O)c1c[nH+]ccc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000359520899 167178173 /nfs/dbraw/zinc/17/81/73/167178173.db2.gz ZZXZJDZBMPYQAU-IRXDYDNUSA-N 2 1 345.487 3.349 20 0 EGADMP CCOC(=O)c1c[nH+]ccc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000359520899 167178175 /nfs/dbraw/zinc/17/81/75/167178175.db2.gz ZZXZJDZBMPYQAU-IRXDYDNUSA-N 2 1 345.487 3.349 20 0 EGADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000359743835 167219996 /nfs/dbraw/zinc/21/99/96/167219996.db2.gz OKJPPOMUJRUUAW-RHSMWYFYSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000359743835 167219999 /nfs/dbraw/zinc/21/99/99/167219999.db2.gz OKJPPOMUJRUUAW-RHSMWYFYSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000359774668 167229618 /nfs/dbraw/zinc/22/96/18/167229618.db2.gz NRIODGCWFRWINJ-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000359774668 167229620 /nfs/dbraw/zinc/22/96/20/167229620.db2.gz NRIODGCWFRWINJ-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000359774668 167229622 /nfs/dbraw/zinc/22/96/22/167229622.db2.gz NRIODGCWFRWINJ-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000359774668 167229623 /nfs/dbraw/zinc/22/96/23/167229623.db2.gz NRIODGCWFRWINJ-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CC[C@H](NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(OC(F)F)cc1 ZINC000366218722 168095219 /nfs/dbraw/zinc/09/52/19/168095219.db2.gz MJDYMRKYCBVIEL-XIRDDKMYSA-N 2 1 340.414 3.192 20 0 EGADMP CC[C@H](NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(OC(F)F)cc1 ZINC000366218722 168095220 /nfs/dbraw/zinc/09/52/20/168095220.db2.gz MJDYMRKYCBVIEL-XIRDDKMYSA-N 2 1 340.414 3.192 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366219886 168095710 /nfs/dbraw/zinc/09/57/10/168095710.db2.gz CEIHWMFDCYKZFV-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CC(=O)c1ccccc1OCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366880126 168152003 /nfs/dbraw/zinc/15/20/03/168152003.db2.gz HQXNTZQSOHYDIX-UHFFFAOYSA-N 2 1 330.472 3.076 20 0 EGADMP C[C@@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367030483 168170388 /nfs/dbraw/zinc/17/03/88/168170388.db2.gz QSFDFKFAPPWDSU-XLIONFOSSA-N 2 1 349.950 3.230 20 0 EGADMP C[C@H](O)c1ncc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000368014765 168297051 /nfs/dbraw/zinc/29/70/51/168297051.db2.gz AXRYVYNRCUJFCX-RDJZCZTQSA-N 2 1 345.512 3.198 20 0 EGADMP C[C@H](O)c1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000368014765 168297053 /nfs/dbraw/zinc/29/70/53/168297053.db2.gz AXRYVYNRCUJFCX-RDJZCZTQSA-N 2 1 345.512 3.198 20 0 EGADMP Cn1cncc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000368091044 168309228 /nfs/dbraw/zinc/30/92/28/168309228.db2.gz VFAKGGAHOIEINJ-HLAWJBBLSA-N 2 1 338.499 3.201 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)CC[N@H+]1C ZINC000159272122 225185151 /nfs/dbraw/zinc/18/51/51/225185151.db2.gz WDWYYRAJZJADEX-PBHICJAKSA-N 2 1 327.428 3.104 20 0 EGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C[C@@H]2C1 ZINC000194543758 266126704 /nfs/dbraw/zinc/12/67/04/266126704.db2.gz FIQCQCFOCYQGFY-HDICACEKSA-N 2 1 332.451 3.019 20 0 EGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C[C@@H]2C1 ZINC000194543758 266126707 /nfs/dbraw/zinc/12/67/07/266126707.db2.gz FIQCQCFOCYQGFY-HDICACEKSA-N 2 1 332.451 3.019 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000227260280 266199649 /nfs/dbraw/zinc/19/96/49/266199649.db2.gz UDIWRUBCOMIFME-HOTGVXAUSA-N 2 1 327.513 3.096 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)C2(C[NH3+])CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000237584724 266237479 /nfs/dbraw/zinc/23/74/79/266237479.db2.gz OOCSOBCLZPINEQ-IEBWSBKVSA-N 2 1 343.515 3.017 20 0 EGADMP Cc1nc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cs1 ZINC000269414126 266290212 /nfs/dbraw/zinc/29/02/12/266290212.db2.gz JWDMTFUCPUMKFT-AWEZNQCLSA-N 2 1 345.512 3.259 20 0 EGADMP CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)[nH]1 ZINC000271419398 266658690 /nfs/dbraw/zinc/65/86/90/266658690.db2.gz BPSAEHHHKDUHRY-HUUCEWRRSA-N 2 1 345.491 3.280 20 0 EGADMP C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273227805 267000615 /nfs/dbraw/zinc/00/06/15/267000615.db2.gz FHYWDGMRJWPSEW-VQIMIIECSA-N 2 1 328.500 3.407 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000273266379 267008710 /nfs/dbraw/zinc/00/87/10/267008710.db2.gz ULTKTTWEMSXYGR-LMMKCTJWSA-N 2 1 345.531 3.180 20 0 EGADMP CCn1nc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000274490061 267246394 /nfs/dbraw/zinc/24/63/94/267246394.db2.gz ZNJLENHNMTXHTR-CALCHBBNSA-N 2 1 344.503 3.035 20 0 EGADMP C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274759388 267282814 /nfs/dbraw/zinc/28/28/14/267282814.db2.gz JOVKTCKBUBWXBR-IHPCNDPISA-N 2 1 344.499 3.172 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)[C@@H](C)C1 ZINC000274777256 267284510 /nfs/dbraw/zinc/28/45/10/267284510.db2.gz OHZHRZWXKWJVJV-FXAWDEMLSA-N 2 1 348.531 3.141 20 0 EGADMP C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274911403 267305237 /nfs/dbraw/zinc/30/52/37/267305237.db2.gz NGSUACUAZUATAC-MJUUVYJYSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274911403 267305239 /nfs/dbraw/zinc/30/52/39/267305239.db2.gz NGSUACUAZUATAC-MJUUVYJYSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274911403 267305241 /nfs/dbraw/zinc/30/52/41/267305241.db2.gz NGSUACUAZUATAC-MJUUVYJYSA-N 3 1 329.532 3.359 20 0 EGADMP COCCSCCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000278568529 268041331 /nfs/dbraw/zinc/04/13/31/268041331.db2.gz WJQOPYYFBLDDIY-UHFFFAOYSA-N 2 1 336.545 3.353 20 0 EGADMP COCCSCCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000278568529 268041333 /nfs/dbraw/zinc/04/13/33/268041333.db2.gz WJQOPYYFBLDDIY-UHFFFAOYSA-N 2 1 336.545 3.353 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000090911300 275153546 /nfs/dbraw/zinc/15/35/46/275153546.db2.gz VLJHIBBRXPZRSU-INMHGKMJSA-N 2 1 328.460 3.160 20 0 EGADMP CC[NH+]1CCC([N@H+](C)CCOc2ccccc2Br)CC1 ZINC000093792620 275155777 /nfs/dbraw/zinc/15/57/77/275155777.db2.gz FFYXPHAKOPAECT-UHFFFAOYSA-N 2 1 341.293 3.244 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)CCOc2ccccc2Br)CC1 ZINC000093792620 275155778 /nfs/dbraw/zinc/15/57/78/275155778.db2.gz FFYXPHAKOPAECT-UHFFFAOYSA-N 2 1 341.293 3.244 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000110822679 275181693 /nfs/dbraw/zinc/18/16/93/275181693.db2.gz SMZDRZJDVFCHOO-SUMWQHHRSA-N 2 1 337.305 3.238 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000181358350 275206385 /nfs/dbraw/zinc/20/63/85/275206385.db2.gz RFZNMQLXMFNLDS-IOASZLSFSA-N 2 1 340.309 3.179 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCNc2cccc(Br)c2)[C@H](C)C1 ZINC000181357479 275206436 /nfs/dbraw/zinc/20/64/36/275206436.db2.gz WJPVEGQXCUASKP-CZUORRHYSA-N 2 1 340.309 3.181 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000277038051 275254258 /nfs/dbraw/zinc/25/42/58/275254258.db2.gz BOWMJULYVFWLRQ-MOPGFXCFSA-N 2 1 348.531 3.140 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000277038051 275254259 /nfs/dbraw/zinc/25/42/59/275254259.db2.gz BOWMJULYVFWLRQ-MOPGFXCFSA-N 2 1 348.531 3.140 20 0 EGADMP Cc1cc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000278742951 275270774 /nfs/dbraw/zinc/27/07/74/275270774.db2.gz IVTOMPPEIDYXRY-OAHLLOKOSA-N 2 1 343.446 3.372 20 0 EGADMP COc1cccc(C[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C2CC2)c1 ZINC000279047407 275299084 /nfs/dbraw/zinc/29/90/84/275299084.db2.gz XUDZJUPBPRFSTE-LPHOPBHVSA-N 2 1 325.456 3.065 20 0 EGADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279050941 275299426 /nfs/dbraw/zinc/29/94/26/275299426.db2.gz YBTMJUYGUDADMH-WBVHZDCISA-N 2 1 335.455 3.290 20 0 EGADMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cn1 ZINC000279083186 275302379 /nfs/dbraw/zinc/30/23/79/275302379.db2.gz MUNRLQDWTCSJCQ-KXBFYZLASA-N 2 1 344.503 3.173 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287904243 276168293 /nfs/dbraw/zinc/16/82/93/276168293.db2.gz ZUNARHMIJFXQHI-IRXDYDNUSA-N 2 1 327.476 3.038 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000154476377 276194958 /nfs/dbraw/zinc/19/49/58/276194958.db2.gz VJCTUWNBRBHTMR-SFHVURJKSA-N 2 1 333.520 3.300 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352056450 276285969 /nfs/dbraw/zinc/28/59/69/276285969.db2.gz CNYQAMJXHWIGIO-PMACEKPBSA-N 2 1 345.531 3.134 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC000357804756 276308444 /nfs/dbraw/zinc/30/84/44/276308444.db2.gz MHWAKMSOMNXNKT-KRWDZBQOSA-N 2 1 331.504 3.019 20 0 EGADMP Cc1c[nH+]ccc1OC1CC[NH+](CCCCCn2cccn2)CC1 ZINC000289481096 276345657 /nfs/dbraw/zinc/34/56/57/276345657.db2.gz XZWAUDAJTQGGQM-UHFFFAOYSA-N 2 1 328.460 3.300 20 0 EGADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)cc1 ZINC000290715310 276532333 /nfs/dbraw/zinc/53/23/33/276532333.db2.gz KSRIMZHKZOMUKR-KRWDZBQOSA-N 2 1 340.471 3.234 20 0 EGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccccc1 ZINC000118949478 277214022 /nfs/dbraw/zinc/21/40/22/277214022.db2.gz BPQXDDVJLGEXQW-YLJYHZDGSA-N 2 1 334.504 3.101 20 0 EGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccccc1 ZINC000118949478 277214025 /nfs/dbraw/zinc/21/40/25/277214025.db2.gz BPQXDDVJLGEXQW-YLJYHZDGSA-N 2 1 334.504 3.101 20 0 EGADMP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000353567540 278300477 /nfs/dbraw/zinc/30/04/77/278300477.db2.gz ZLADAEVTADOIEX-ICSRJNTNSA-N 2 1 326.488 3.164 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000164586131 278333546 /nfs/dbraw/zinc/33/35/46/278333546.db2.gz AVAFDVZXFMCIKM-DBVUQKKJSA-N 2 1 343.515 3.195 20 0 EGADMP COc1ccc(C(C)(C)C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000153170653 295102027 /nfs/dbraw/zinc/10/20/27/295102027.db2.gz AJLTVIARIJYCPH-VYDXJSESSA-N 2 1 334.504 3.300 20 0 EGADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)ccc1OC(F)F ZINC000068722695 307372021 /nfs/dbraw/zinc/37/20/21/307372021.db2.gz SVKBIVSYKQKCPF-AWEZNQCLSA-N 2 1 328.403 3.118 20 0 EGADMP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000414133925 309062634 /nfs/dbraw/zinc/06/26/34/309062634.db2.gz BVCKWQFEPOPGAQ-SRHPJPHMSA-N 2 1 328.500 3.180 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000414168700 309064478 /nfs/dbraw/zinc/06/44/78/309064478.db2.gz APYRVIAVZWZXCB-JKSUJKDBSA-N 2 1 348.487 3.464 20 0 EGADMP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000414173798 309064547 /nfs/dbraw/zinc/06/45/47/309064547.db2.gz GDXVKLNHNCWGDA-AZUAARDMSA-N 2 1 341.503 3.039 20 0 EGADMP CCc1ncc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414365155 309075446 /nfs/dbraw/zinc/07/54/46/309075446.db2.gz KAUPZQACDCWXDR-MJGOQNOKSA-N 2 1 338.499 3.429 20 0 EGADMP CC(C)(C)C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248417575 308002537 /nfs/dbraw/zinc/00/25/37/308002537.db2.gz RLGQUNKLPLUCRX-YSTOQKLRSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248611330 308007022 /nfs/dbraw/zinc/00/70/22/308007022.db2.gz XSWVNMNUYMVVPG-MTHXSQLBSA-N 2 1 349.563 3.407 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248611330 308007023 /nfs/dbraw/zinc/00/70/23/308007023.db2.gz XSWVNMNUYMVVPG-MTHXSQLBSA-N 2 1 349.563 3.407 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)[C@H](C)C1 ZINC000248766139 308011240 /nfs/dbraw/zinc/01/12/40/308011240.db2.gz GXFLKJPKLKMPNH-FCGDIQPGSA-N 2 1 340.552 3.305 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000248824137 308012500 /nfs/dbraw/zinc/01/25/00/308012500.db2.gz JRBVBIMDUWKBAO-OKZBNKHCSA-N 2 1 348.535 3.336 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000248824137 308012501 /nfs/dbraw/zinc/01/25/01/308012501.db2.gz JRBVBIMDUWKBAO-OKZBNKHCSA-N 2 1 348.535 3.336 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C/C=C\c3ccc(Cl)cc3)C2)CC1 ZINC000255276190 308044750 /nfs/dbraw/zinc/04/47/50/308044750.db2.gz CZNSGDWKDCKPLC-LLHWWHOWSA-N 2 1 333.907 3.065 20 0 EGADMP CC(C)O[C@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000293358782 308123323 /nfs/dbraw/zinc/12/33/23/308123323.db2.gz YJNOQCIYCHPDSC-OAQYLSRUSA-N 2 1 347.547 3.111 20 0 EGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293764692 308159831 /nfs/dbraw/zinc/15/98/31/308159831.db2.gz ROINLGGXDAWFND-CMKODMSKSA-N 2 1 345.531 3.039 20 0 EGADMP COC(=O)c1cccc(C[N@@H+](C)CCCn2ccnc2C)c1Cl ZINC000294922819 308271831 /nfs/dbraw/zinc/27/18/31/308271831.db2.gz JLAMGVXHKXDSKT-UHFFFAOYSA-N 2 1 335.835 3.154 20 0 EGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414656815 309094000 /nfs/dbraw/zinc/09/40/00/309094000.db2.gz GEUWWBKACLSKRG-JKSUJKDBSA-N 2 1 339.487 3.229 20 0 EGADMP CC(C)[C@H](Cn1cccn1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000295799648 308361331 /nfs/dbraw/zinc/36/13/31/308361331.db2.gz CABFERSOEVVNPK-FQEVSTJZSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414656810 309093920 /nfs/dbraw/zinc/09/39/20/309093920.db2.gz GEUWWBKACLSKRG-HOTGVXAUSA-N 2 1 339.487 3.229 20 0 EGADMP CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414695706 309095811 /nfs/dbraw/zinc/09/58/11/309095811.db2.gz OMBUDNPAMUMLMN-HUUCEWRRSA-N 2 1 337.895 3.379 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2cc(Br)ccc2F)CC[NH2+]1 ZINC000414745546 309098550 /nfs/dbraw/zinc/09/85/50/309098550.db2.gz KZQRNLZSNAHELF-VXGBXAGGSA-N 2 1 329.257 3.408 20 0 EGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000414764846 309099418 /nfs/dbraw/zinc/09/94/18/309099418.db2.gz BFOAPZWMNIISIB-UHFFFAOYSA-N 2 1 342.487 3.235 20 0 EGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000414764846 309099419 /nfs/dbraw/zinc/09/94/19/309099419.db2.gz BFOAPZWMNIISIB-UHFFFAOYSA-N 2 1 342.487 3.235 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+](CCc3cccc(Cl)c3)CC2)CC1 ZINC000297735721 308559560 /nfs/dbraw/zinc/55/95/60/308559560.db2.gz KEHAKRWWYKYMOS-UHFFFAOYSA-N 2 1 349.950 3.373 20 0 EGADMP Brc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000414775290 309100286 /nfs/dbraw/zinc/10/02/86/309100286.db2.gz GLBHKBMIRKQFBQ-CHWSQXEVSA-N 2 1 329.307 3.332 20 0 EGADMP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414778596 309100542 /nfs/dbraw/zinc/10/05/42/309100542.db2.gz JIXRAVAMMAIZHT-KBPBESRZSA-N 2 1 346.425 3.176 20 0 EGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(Br)c(Br)c1)C1CC1 ZINC000414796329 309101916 /nfs/dbraw/zinc/10/19/16/309101916.db2.gz HNBIHVOWJVAJPX-LBPRGKRZSA-N 2 1 348.082 3.039 20 0 EGADMP CC(C)(C)CC(=O)N1CCC([NH2+]CC[NH2+]C2CCCCCC2)CC1 ZINC000414806152 309102617 /nfs/dbraw/zinc/10/26/17/309102617.db2.gz MNNMTVVDVJERBH-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@H]1SC ZINC000298571856 308625318 /nfs/dbraw/zinc/62/53/18/308625318.db2.gz XCXDEXOZCRHQDL-CGTJXYLNSA-N 2 1 349.475 3.318 20 0 EGADMP Cc1csc(N2CCC([NH2+]CC[NH2+]C3CCCCCC3)CC2)n1 ZINC000414812907 309103132 /nfs/dbraw/zinc/10/31/32/309103132.db2.gz QCUTYSXSTDKWAZ-UHFFFAOYSA-N 2 1 336.549 3.322 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414812683 309103251 /nfs/dbraw/zinc/10/32/51/309103251.db2.gz LIKYYJRCTJHJLE-GDBMZVCRSA-N 2 1 339.911 3.184 20 0 EGADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000414838319 309104748 /nfs/dbraw/zinc/10/47/48/309104748.db2.gz KHCCQIDTCHHJKL-OCCSQVGLSA-N 2 1 341.883 3.029 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)c(-c2ccccc2)cc1OC ZINC000414890881 309107668 /nfs/dbraw/zinc/10/76/68/309107668.db2.gz NHXDYVLIEDZYEW-GOSISDBHSA-N 2 1 326.440 3.198 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC[NH2+]1 ZINC000414948250 309110648 /nfs/dbraw/zinc/11/06/48/309110648.db2.gz LXUKJHKZRYOBAL-QFBILLFUSA-N 2 1 338.499 3.455 20 0 EGADMP CC[C@@H]([NH3+])C[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000414983427 309112747 /nfs/dbraw/zinc/11/27/47/309112747.db2.gz TYZJLKUJPXNULS-MRXNPFEDSA-N 2 1 330.476 3.141 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)s2)cn1 ZINC000415032815 309115496 /nfs/dbraw/zinc/11/54/96/309115496.db2.gz AXEMTXOFJWUFBI-PBHICJAKSA-N 2 1 330.501 3.113 20 0 EGADMP Brc1ccccc1-c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)s1 ZINC000415033908 309115586 /nfs/dbraw/zinc/11/55/86/309115586.db2.gz JACBPYUPNHVKJN-VIKVFOODSA-N 2 1 349.297 3.485 20 0 EGADMP Fc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415038570 309115806 /nfs/dbraw/zinc/11/58/06/309115806.db2.gz HYYUGSHOJDLUCC-UKRRQHHQSA-N 2 1 328.378 3.391 20 0 EGADMP Fc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415038570 309115807 /nfs/dbraw/zinc/11/58/07/309115807.db2.gz HYYUGSHOJDLUCC-UKRRQHHQSA-N 2 1 328.378 3.391 20 0 EGADMP Fc1cc(F)cc(Oc2ccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)cc2)c1 ZINC000415042026 309116110 /nfs/dbraw/zinc/11/61/10/309116110.db2.gz QBCJFWICXYNVLU-LJQANCHMSA-N 2 1 348.393 3.225 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000415076971 309118730 /nfs/dbraw/zinc/11/87/30/309118730.db2.gz DEEVGWSAZUPUDI-BFYDXBDKSA-N 2 1 349.906 3.346 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415100363 309120256 /nfs/dbraw/zinc/12/02/56/309120256.db2.gz ACWRCSCWYKCYKN-UZLBHIALSA-N 2 1 340.515 3.273 20 0 EGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000415124907 309122115 /nfs/dbraw/zinc/12/21/15/309122115.db2.gz DARBCOAVXDTYFJ-UHFFFAOYSA-N 2 1 328.456 3.316 20 0 EGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000415124907 309122116 /nfs/dbraw/zinc/12/21/16/309122116.db2.gz DARBCOAVXDTYFJ-UHFFFAOYSA-N 2 1 328.456 3.316 20 0 EGADMP c1cc(-c2ccccc2)oc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415144551 309123572 /nfs/dbraw/zinc/12/35/72/309123572.db2.gz VKRDLSBDTJPJGW-MOPGFXCFSA-N 2 1 338.451 3.147 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000415939712 309150149 /nfs/dbraw/zinc/15/01/49/309150149.db2.gz ZJCHVLYQQWERMZ-HOTGVXAUSA-N 2 1 332.492 3.038 20 0 EGADMP C[C@@H](CCNC(=O)Nc1ccc(C[NH3+])cc1)[N@@H+](C)Cc1ccccc1 ZINC000415981609 309152634 /nfs/dbraw/zinc/15/26/34/309152634.db2.gz WLATXOVKSUONRG-INIZCTEOSA-N 2 1 340.471 3.177 20 0 EGADMP C[NH+](C)C1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000417353281 309202673 /nfs/dbraw/zinc/20/26/73/309202673.db2.gz ILHZQKHVKFATGE-VAMGGRTRSA-N 2 1 327.516 3.113 20 0 EGADMP CN(C)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000417353281 309202674 /nfs/dbraw/zinc/20/26/74/309202674.db2.gz ILHZQKHVKFATGE-VAMGGRTRSA-N 2 1 327.516 3.113 20 0 EGADMP CN(C)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000417353281 309202675 /nfs/dbraw/zinc/20/26/75/309202675.db2.gz ILHZQKHVKFATGE-VAMGGRTRSA-N 2 1 327.516 3.113 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000417982212 309230510 /nfs/dbraw/zinc/23/05/10/309230510.db2.gz MXMMIJJORXBOMU-VSKRKVRLSA-N 2 1 336.479 3.147 20 0 EGADMP CC[N@@H+](CCOc1ccc(Br)cc1)CC[C@H]1CC[NH2+]C1 ZINC000420300270 309280156 /nfs/dbraw/zinc/28/01/56/309280156.db2.gz JUUSAALNHUKEBE-CQSZACIVSA-N 2 1 341.293 3.149 20 0 EGADMP Clc1ccc(O[C@@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000420303419 309280453 /nfs/dbraw/zinc/28/04/53/309280453.db2.gz NIGNKRCJYCONQD-TZMCWYRMSA-N 2 1 329.271 3.446 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000420305708 309280646 /nfs/dbraw/zinc/28/06/46/309280646.db2.gz QABCGIGIBZYVSD-QMMLZNLJSA-N 2 1 326.484 3.227 20 0 EGADMP c1cc(C[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000420313138 309281340 /nfs/dbraw/zinc/28/13/40/309281340.db2.gz PEBRZCBXNKKKHQ-FUHWJXTLSA-N 3 1 333.545 3.082 20 0 EGADMP Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420328919 309282501 /nfs/dbraw/zinc/28/25/01/309282501.db2.gz NLSAXYVTTZXJHH-HZPDHXFCSA-N 2 1 329.419 3.302 20 0 EGADMP Cc1cc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)ccc1F ZINC000420338801 309283280 /nfs/dbraw/zinc/28/32/80/309283280.db2.gz XZVNZISFCKIFNG-JKSUJKDBSA-N 2 1 344.434 3.006 20 0 EGADMP FC(F)(F)c1ccc([C@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420378830 309285265 /nfs/dbraw/zinc/28/52/65/309285265.db2.gz UQQZAAZXUWAMJE-RHSMWYFYSA-N 2 1 342.405 3.468 20 0 EGADMP COCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)C ZINC000420959491 309304327 /nfs/dbraw/zinc/30/43/27/309304327.db2.gz GJPFZBUVWNGXCB-IBGZPJMESA-N 2 1 334.504 3.060 20 0 EGADMP CC1(C)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCS1 ZINC000420961240 309304628 /nfs/dbraw/zinc/30/46/28/309304628.db2.gz IVQSXOBMUMYSLX-UHFFFAOYSA-N 2 1 334.529 3.236 20 0 EGADMP CC1(C)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCS1 ZINC000420961240 309304629 /nfs/dbraw/zinc/30/46/29/309304629.db2.gz IVQSXOBMUMYSLX-UHFFFAOYSA-N 2 1 334.529 3.236 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C3CC3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000421318838 309318244 /nfs/dbraw/zinc/31/82/44/309318244.db2.gz IKUHTKVGCHPQKX-LAUBAEHRSA-N 2 1 327.516 3.022 20 0 EGADMP OC1(CCC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000421374052 309321398 /nfs/dbraw/zinc/32/13/98/309321398.db2.gz NBDDSURFNPWXHJ-XUVXKRRUSA-N 2 1 328.500 3.182 20 0 EGADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000421835030 309342538 /nfs/dbraw/zinc/34/25/38/309342538.db2.gz PILLMGCJEITKBP-GOEBONIOSA-N 2 1 340.895 3.236 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@@H]1C[NH3+] ZINC000422635645 309363147 /nfs/dbraw/zinc/36/31/47/309363147.db2.gz LUPCROPSJJCFTP-BZPMIXESSA-N 2 1 335.398 3.425 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@@H]1C[NH3+] ZINC000422635645 309363148 /nfs/dbraw/zinc/36/31/48/309363148.db2.gz LUPCROPSJJCFTP-BZPMIXESSA-N 2 1 335.398 3.425 20 0 EGADMP CC1CC[NH+](Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000422811527 309369685 /nfs/dbraw/zinc/36/96/85/309369685.db2.gz WHHGLBCZTJFNDW-WCRBZPEASA-N 2 1 327.516 3.291 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422857144 309372267 /nfs/dbraw/zinc/37/22/67/309372267.db2.gz HAIAYTLUXOICKT-ZEDDUWKQSA-N 3 1 327.516 3.434 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422857144 309372268 /nfs/dbraw/zinc/37/22/68/309372268.db2.gz HAIAYTLUXOICKT-ZEDDUWKQSA-N 2 1 327.516 3.434 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422857144 309372269 /nfs/dbraw/zinc/37/22/69/309372269.db2.gz HAIAYTLUXOICKT-ZEDDUWKQSA-N 2 1 327.516 3.434 20 0 EGADMP COc1ccc(C(C)(C)C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1OC ZINC000422861736 309372629 /nfs/dbraw/zinc/37/26/29/309372629.db2.gz OWZSQFKCOVOJQF-CYBMUJFWSA-N 2 1 329.444 3.140 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422872535 309372985 /nfs/dbraw/zinc/37/29/85/309372985.db2.gz HMMUVKCSPJDRBG-OSZJIOELSA-N 2 1 337.511 3.198 20 0 EGADMP CCCC(=O)Nc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422883586 309373899 /nfs/dbraw/zinc/37/38/99/309373899.db2.gz QUBALEORBWZZQF-OXQOHEQNSA-N 2 1 339.483 3.473 20 0 EGADMP CCCNC(=O)c1cccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000422893893 309374696 /nfs/dbraw/zinc/37/46/96/309374696.db2.gz RJHWAEUPONNBRT-APWZRJJASA-N 2 1 331.504 3.227 20 0 EGADMP C[NH+](C)CCOc1cccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422900662 309374943 /nfs/dbraw/zinc/37/49/43/309374943.db2.gz QVINUHKBBMZCDX-PCCBWWKXSA-N 2 1 345.531 3.027 20 0 EGADMP c1cc(-c2ccccc2)oc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422973172 309379204 /nfs/dbraw/zinc/37/92/04/309379204.db2.gz NUCYJGVQKDMDOH-GBESFXJTSA-N 2 1 326.440 3.193 20 0 EGADMP CC[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423005143 309380551 /nfs/dbraw/zinc/38/05/51/309380551.db2.gz QWJGWQLKMOGKKQ-HZEGPAAWSA-N 3 1 329.532 3.407 20 0 EGADMP CC[C@H](NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423005143 309380552 /nfs/dbraw/zinc/38/05/52/309380552.db2.gz QWJGWQLKMOGKKQ-HZEGPAAWSA-N 2 1 329.532 3.407 20 0 EGADMP CC[C@H](NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423005143 309380553 /nfs/dbraw/zinc/38/05/53/309380553.db2.gz QWJGWQLKMOGKKQ-HZEGPAAWSA-N 2 1 329.532 3.407 20 0 EGADMP COCCCOc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423005752 309380569 /nfs/dbraw/zinc/38/05/69/309380569.db2.gz SQUBJKPRSATHNO-PMACEKPBSA-N 2 1 326.440 3.336 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c2ccccc21 ZINC000423014450 309380934 /nfs/dbraw/zinc/38/09/34/309380934.db2.gz PCKDFTDUNHVNLY-YSSFQJQWSA-N 2 1 337.467 3.032 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c2ccccc21 ZINC000423014448 309381052 /nfs/dbraw/zinc/38/10/52/309381052.db2.gz PCKDFTDUNHVNLY-UIAACRFSSA-N 2 1 337.467 3.032 20 0 EGADMP C[NH+](C)[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423053516 309383378 /nfs/dbraw/zinc/38/33/78/309383378.db2.gz SRDQSKIOBNIRGP-VNQPRFMTSA-N 2 1 329.410 3.025 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000423065466 309384168 /nfs/dbraw/zinc/38/41/68/309384168.db2.gz UMYHPLUMRLUANL-DXBBTUNJSA-N 2 1 341.543 3.407 20 0 EGADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000423065466 309384169 /nfs/dbraw/zinc/38/41/69/309384169.db2.gz UMYHPLUMRLUANL-DXBBTUNJSA-N 2 1 341.543 3.407 20 0 EGADMP COCCCOc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423098495 309385895 /nfs/dbraw/zinc/38/58/95/309385895.db2.gz CXJMVZIQFSJNSM-PMACEKPBSA-N 2 1 326.440 3.336 20 0 EGADMP CCn1ccnc1[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)C1CCOCC1 ZINC000423112099 309386447 /nfs/dbraw/zinc/38/64/47/309386447.db2.gz XBVHSMWTDMLOIG-BHIYHBOVSA-N 2 1 348.535 3.271 20 0 EGADMP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423125285 309387198 /nfs/dbraw/zinc/38/71/98/309387198.db2.gz QEXUMYZZBDHSCM-RUZUBIRVSA-N 2 1 326.893 3.136 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423142258 309388242 /nfs/dbraw/zinc/38/82/42/309388242.db2.gz UUEBSRMYTSDIOY-MQEZQYLSSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423142258 309388243 /nfs/dbraw/zinc/38/82/43/309388243.db2.gz UUEBSRMYTSDIOY-MQEZQYLSSA-N 3 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423142258 309388244 /nfs/dbraw/zinc/38/82/44/309388244.db2.gz UUEBSRMYTSDIOY-MQEZQYLSSA-N 3 1 327.516 3.161 20 0 EGADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cnn1-c1cc(C)ccc1C ZINC000423211663 309390420 /nfs/dbraw/zinc/39/04/20/309390420.db2.gz LBKYRINQHDKPGH-SJLPKXTDSA-N 2 1 326.488 3.448 20 0 EGADMP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423208813 309390460 /nfs/dbraw/zinc/39/04/60/309390460.db2.gz HYNIWHWYDKCOFS-QMTHXVAHSA-N 2 1 327.241 3.165 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NC[C@@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423232572 309391646 /nfs/dbraw/zinc/39/16/46/309391646.db2.gz INUXZTMXUMSNPS-TUFLPTIASA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC[C@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423250926 309392299 /nfs/dbraw/zinc/39/22/99/309392299.db2.gz RFQDCRDANRWMGS-ZDFPQIBNSA-N 3 1 341.543 3.266 20 0 EGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423268947 309393297 /nfs/dbraw/zinc/39/32/97/309393297.db2.gz VJIYXHSRTZZNCU-OXJNMPFZSA-N 3 1 333.520 3.185 20 0 EGADMP C[C@H](N[C@H](C[NH3+])C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423268947 309393298 /nfs/dbraw/zinc/39/32/98/309393298.db2.gz VJIYXHSRTZZNCU-OXJNMPFZSA-N 2 1 333.520 3.185 20 0 EGADMP COc1ccc(C[C@@H]([NH2+]CC(C)(C)[NH3+])c2ccc(OC)cc2)cc1 ZINC000423290133 309394150 /nfs/dbraw/zinc/39/41/50/309394150.db2.gz ZCPNBKWEJRIXJU-LJQANCHMSA-N 2 1 328.456 3.315 20 0 EGADMP CCCC[C@H](C[NH3+])N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423300609 309394402 /nfs/dbraw/zinc/39/44/02/309394402.db2.gz SAUXCFGSCDGXDK-DOIPELPJSA-N 2 1 329.532 3.394 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]([NH3+])C2CCC2)c1 ZINC000423339332 309396058 /nfs/dbraw/zinc/39/60/58/309396058.db2.gz WJFVJXVXVAIPMJ-QGZVFWFLSA-N 2 1 326.444 3.121 20 0 EGADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1Cl ZINC000423340954 309396224 /nfs/dbraw/zinc/39/62/24/309396224.db2.gz WCJHLJHYVQTQML-PXAZEXFGSA-N 2 1 326.868 3.398 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000423365434 309397138 /nfs/dbraw/zinc/39/71/38/309397138.db2.gz BGFAPEHJWCBPJW-RULNRJAQSA-N 2 1 327.241 3.435 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]Cc4ccc5c(c4)C[NH2+]C5)[C@@H]3C2)cc1 ZINC000423366187 309397218 /nfs/dbraw/zinc/39/72/18/309397218.db2.gz BQTHCQIIIMRYMN-MDNUFGMLSA-N 2 1 347.506 3.290 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCc4ccc5c(c4)C[NH2+]C5)[C@@H]3C2)cc1 ZINC000423366187 309397219 /nfs/dbraw/zinc/39/72/19/309397219.db2.gz BQTHCQIIIMRYMN-MDNUFGMLSA-N 2 1 347.506 3.290 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCc4ccc5c(c4)C[NH2+]C5)[C@@H]3C2)cc1 ZINC000423366187 309397220 /nfs/dbraw/zinc/39/72/20/309397220.db2.gz BQTHCQIIIMRYMN-MDNUFGMLSA-N 2 1 347.506 3.290 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(F)cn1 ZINC000423472967 309401707 /nfs/dbraw/zinc/40/17/07/309401707.db2.gz NMZAPWDWCZJFLT-DHSIGJKJSA-N 2 1 331.410 3.404 20 0 EGADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(OC(F)(F)F)cc1 ZINC000423492705 309402764 /nfs/dbraw/zinc/40/27/64/309402764.db2.gz OIHCCFRWXCVCEK-HUUCEWRRSA-N 2 1 332.366 3.004 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)s1 ZINC000443622054 309904901 /nfs/dbraw/zinc/90/49/01/309904901.db2.gz JATIQANVBQSQTN-ZIAGYGMSSA-N 2 1 337.533 3.081 20 0 EGADMP CCn1nnc(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000449081564 310035550 /nfs/dbraw/zinc/03/55/50/310035550.db2.gz GFNYNFQALPTBGS-MRXNPFEDSA-N 2 1 341.503 3.128 20 0 EGADMP CCn1nnc(C)c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000449081564 310035551 /nfs/dbraw/zinc/03/55/51/310035551.db2.gz GFNYNFQALPTBGS-MRXNPFEDSA-N 2 1 341.503 3.128 20 0 EGADMP COCC1CCC([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CC1 ZINC000449127999 310038908 /nfs/dbraw/zinc/03/89/08/310038908.db2.gz XHHSIUCUSOFROP-UHFFFAOYSA-N 2 1 349.519 3.298 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449132742 310039261 /nfs/dbraw/zinc/03/92/61/310039261.db2.gz WBHGUQCPRKMFGG-SFHVURJKSA-N 2 1 332.488 3.448 20 0 EGADMP COc1cc2ccccc2cc1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000449147125 310040294 /nfs/dbraw/zinc/04/02/94/310040294.db2.gz FLQMDKXXCLPCQK-FQEVSTJZSA-N 2 1 342.483 3.175 20 0 EGADMP COc1cccc2c(C[NH2+]CCCC[N@H+]3CCC[C@H]3CO)cccc12 ZINC000449151072 310040675 /nfs/dbraw/zinc/04/06/75/310040675.db2.gz VNAJBOPWTFBMRD-SFHVURJKSA-N 2 1 342.483 3.175 20 0 EGADMP O[C@]1(C[NH2+]Cc2cccc3ccoc32)CC[N@H+](Cc2ccccc2)C1 ZINC000449164851 310041538 /nfs/dbraw/zinc/04/15/38/310041538.db2.gz RNOCUNHAGHIJED-NRFANRHFSA-N 2 1 336.435 3.159 20 0 EGADMP O[C@]1(C[NH2+]Cc2cccc3ccoc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000449164851 310041539 /nfs/dbraw/zinc/04/15/39/310041539.db2.gz RNOCUNHAGHIJED-NRFANRHFSA-N 2 1 336.435 3.159 20 0 EGADMP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000449235096 310046657 /nfs/dbraw/zinc/04/66/57/310046657.db2.gz SURYASBAEUJSQN-DBXWQHBBSA-N 2 1 329.532 3.154 20 0 EGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCN(C)[C@@H]2C)CC1 ZINC000449235096 310046658 /nfs/dbraw/zinc/04/66/58/310046658.db2.gz SURYASBAEUJSQN-DBXWQHBBSA-N 2 1 329.532 3.154 20 0 EGADMP CCO[C@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](CC)CC2)C[C@H]1C ZINC000449501814 310067382 /nfs/dbraw/zinc/06/73/82/310067382.db2.gz WEQLXXQQLZXHSU-NQIIRXRSSA-N 2 1 345.531 3.075 20 0 EGADMP O[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000449578356 310073439 /nfs/dbraw/zinc/07/34/39/310073439.db2.gz KYQDZHFEGQRDFH-IFLJBQAJSA-N 2 1 328.500 3.038 20 0 EGADMP CCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)COC1 ZINC000449596893 310074635 /nfs/dbraw/zinc/07/46/35/310074635.db2.gz CPTWJIQFPCJCSM-SLFFLAALSA-N 2 1 328.500 3.303 20 0 EGADMP CCc1ccc2[nH+]ccc(N3CC[C@H]([NH+]4CCN(CC)CC4)C3)c2c1 ZINC000450316907 310115120 /nfs/dbraw/zinc/11/51/20/310115120.db2.gz IRVANJUUWGZUQO-SFHVURJKSA-N 2 1 338.499 3.013 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000450891234 310148207 /nfs/dbraw/zinc/14/82/07/310148207.db2.gz YYMJVWINPZLEQJ-BDTNDASRSA-N 2 1 341.543 3.313 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000450891234 310148208 /nfs/dbraw/zinc/14/82/08/310148208.db2.gz YYMJVWINPZLEQJ-BDTNDASRSA-N 2 1 341.543 3.313 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000450891234 310148209 /nfs/dbraw/zinc/14/82/09/310148209.db2.gz YYMJVWINPZLEQJ-BDTNDASRSA-N 2 1 341.543 3.313 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000512133462 312176485 /nfs/dbraw/zinc/17/64/85/312176485.db2.gz YPPTZVGHCVVCLR-LBPRGKRZSA-N 2 1 349.338 3.438 20 0 EGADMP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000453058134 310254915 /nfs/dbraw/zinc/25/49/15/310254915.db2.gz KAIGWVZXNPWJSI-ROUUACIJSA-N 2 1 338.499 3.429 20 0 EGADMP C[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453074474 310256169 /nfs/dbraw/zinc/25/61/69/310256169.db2.gz GVMQGAXQWYJJAN-NJYVYQBISA-N 2 1 327.516 3.113 20 0 EGADMP CN1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453074474 310256170 /nfs/dbraw/zinc/25/61/70/310256170.db2.gz GVMQGAXQWYJJAN-NJYVYQBISA-N 2 1 327.516 3.113 20 0 EGADMP CN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453074474 310256171 /nfs/dbraw/zinc/25/61/71/310256171.db2.gz GVMQGAXQWYJJAN-NJYVYQBISA-N 2 1 327.516 3.113 20 0 EGADMP COCCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453095497 310257590 /nfs/dbraw/zinc/25/75/90/310257590.db2.gz SQDWEIFCTHJONS-NJYVYQBISA-N 2 1 346.515 3.072 20 0 EGADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453105793 310258093 /nfs/dbraw/zinc/25/80/93/310258093.db2.gz CMDZYHBPECLKGS-LFAQGZIKSA-N 2 1 348.556 3.132 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)n(C)n1 ZINC000453222289 310264916 /nfs/dbraw/zinc/26/49/16/310264916.db2.gz YMOJTDRCZSLWMR-NJDAHSKKSA-N 2 1 338.499 3.261 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)n(C)n1 ZINC000453222289 310264917 /nfs/dbraw/zinc/26/49/17/310264917.db2.gz YMOJTDRCZSLWMR-NJDAHSKKSA-N 2 1 338.499 3.261 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC3=CCCOC3)[C@H]3CCC[C@H]32)cc1 ZINC000453225465 310265054 /nfs/dbraw/zinc/26/50/54/310265054.db2.gz MTJSQXRSLBXUOZ-NJDAHSKKSA-N 2 1 326.484 3.366 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455936483 310382787 /nfs/dbraw/zinc/38/27/87/310382787.db2.gz RZFZSOORVDXKTF-PKOBYXMFSA-N 2 1 344.503 3.184 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@H+]1C ZINC000455945512 310383127 /nfs/dbraw/zinc/38/31/27/310383127.db2.gz WCWADIWORZIBCI-DKSSEZFCSA-N 2 1 344.503 3.182 20 0 EGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCC[N@@H+](C)C3CCCC3)ccc21 ZINC000455948267 310383206 /nfs/dbraw/zinc/38/32/06/310383206.db2.gz YAANNQAURHFQJL-LJQANCHMSA-N 2 1 344.503 3.231 20 0 EGADMP C[NH+](C)CCCC(C)(C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000456211036 310393606 /nfs/dbraw/zinc/39/36/06/310393606.db2.gz XJUTZHNIJQQYDC-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP Fc1ccc(CN2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000459394914 310549811 /nfs/dbraw/zinc/54/98/11/310549811.db2.gz SSHRCJVMKHIDEJ-UHFFFAOYSA-N 2 1 331.479 3.007 20 0 EGADMP CSc1cc(Br)ccc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000491589714 311185879 /nfs/dbraw/zinc/18/58/79/311185879.db2.gz TWJBZQCVOYAFNO-LLVKDONJSA-N 2 1 331.323 3.458 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)/C=C\C[NH+](C)C)c1 ZINC000491684740 311187496 /nfs/dbraw/zinc/18/74/96/311187496.db2.gz HGIYMUMAJJVZTN-TWGQIWQCSA-N 2 1 326.444 3.111 20 0 EGADMP CCC(CC)NC(=O)[C@H](C)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506471589 312049829 /nfs/dbraw/zinc/04/98/29/312049829.db2.gz DNLBNVWEGLOVRO-FGTMMUONSA-N 2 1 337.552 3.266 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ncccc2CC)[C@H](C)C1 ZINC000507509491 312075541 /nfs/dbraw/zinc/07/55/41/312075541.db2.gz LCIKRYURSZJZJB-AOIWGVFYSA-N 2 1 333.520 3.432 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ncccc2CC)[C@H](C)C1 ZINC000507509491 312075543 /nfs/dbraw/zinc/07/55/43/312075543.db2.gz LCIKRYURSZJZJB-AOIWGVFYSA-N 2 1 333.520 3.432 20 0 EGADMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000508878940 312104774 /nfs/dbraw/zinc/10/47/74/312104774.db2.gz OHMGQNWXAFCQJT-QFBILLFUSA-N 2 1 335.923 3.106 20 0 EGADMP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000508878940 312104776 /nfs/dbraw/zinc/10/47/76/312104776.db2.gz OHMGQNWXAFCQJT-QFBILLFUSA-N 2 1 335.923 3.106 20 0 EGADMP OC[C@H](CC1CCCC1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000510963356 312151721 /nfs/dbraw/zinc/15/17/21/312151721.db2.gz ADQFDJKFRGYJGZ-CLAROIROSA-N 2 1 342.527 3.428 20 0 EGADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000512133462 312176483 /nfs/dbraw/zinc/17/64/83/312176483.db2.gz YPPTZVGHCVVCLR-LBPRGKRZSA-N 2 1 349.338 3.438 20 0 EGADMP Cc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1F ZINC000512188252 312178481 /nfs/dbraw/zinc/17/84/81/312178481.db2.gz XPDFEUNOIUZPSJ-CALCHBBNSA-N 2 1 334.479 3.455 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC4CCCCC4)CC3)C2)cc1 ZINC000512420169 312185121 /nfs/dbraw/zinc/18/51/21/312185121.db2.gz HXWFSPZKTUKTMX-JOCHJYFZSA-N 2 1 341.543 3.459 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCCCO4)[C@H]3C2)cc1 ZINC000512620448 312190608 /nfs/dbraw/zinc/19/06/08/312190608.db2.gz QOIJPVBUILQNTE-TUFLPTIASA-N 2 1 328.500 3.446 20 0 EGADMP CCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512665689 312191560 /nfs/dbraw/zinc/19/15/60/312191560.db2.gz HBXBWSSRMARKSH-MHTWAQMVSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC34CC5CC(CC(C5)C3)C4)C2)CC1 ZINC000514711140 312240085 /nfs/dbraw/zinc/24/00/85/312240085.db2.gz KOQGEDDIIMNHEU-SWXIYASGSA-N 2 1 345.575 3.303 20 0 EGADMP CCc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000517525061 312382087 /nfs/dbraw/zinc/38/20/87/312382087.db2.gz QDHHQQMJJQHMCY-KRWDZBQOSA-N 2 1 349.569 3.450 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1 ZINC000517677462 312387939 /nfs/dbraw/zinc/38/79/39/312387939.db2.gz IRWOLXQZMDAGPZ-QIJUGHKUSA-N 2 1 338.495 3.263 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1 ZINC000517677462 312387942 /nfs/dbraw/zinc/38/79/42/312387942.db2.gz IRWOLXQZMDAGPZ-QIJUGHKUSA-N 2 1 338.495 3.263 20 0 EGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000518430989 312416572 /nfs/dbraw/zinc/41/65/72/312416572.db2.gz BDONGDFNXQUPQV-UHFFFAOYSA-N 2 1 345.834 3.131 20 0 EGADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000528392453 313081887 /nfs/dbraw/zinc/08/18/87/313081887.db2.gz CZIBTKVNMMGDIX-ICSRJNTNSA-N 2 1 334.479 3.047 20 0 EGADMP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000528392453 313081889 /nfs/dbraw/zinc/08/18/89/313081889.db2.gz CZIBTKVNMMGDIX-ICSRJNTNSA-N 2 1 334.479 3.047 20 0 EGADMP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000528392453 313081892 /nfs/dbraw/zinc/08/18/92/313081892.db2.gz CZIBTKVNMMGDIX-ICSRJNTNSA-N 2 1 334.479 3.047 20 0 EGADMP COCCOc1ccccc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000535083153 314025481 /nfs/dbraw/zinc/02/54/81/314025481.db2.gz LVYVMVAVINGXTR-UHFFFAOYSA-N 2 1 334.504 3.264 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1(C)C ZINC000537288655 314172203 /nfs/dbraw/zinc/17/22/03/314172203.db2.gz LYIKZPNUOJPVSV-VAMGGRTRSA-N 2 1 330.516 3.344 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)[C@H](O)C(F)(F)F ZINC000537943589 314218831 /nfs/dbraw/zinc/21/88/31/314218831.db2.gz SKGBMCYVHALUPB-OJLVUWQFSA-N 2 1 336.442 3.321 20 0 EGADMP C[C@H]1C[C@H](CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000539041500 314291181 /nfs/dbraw/zinc/29/11/81/314291181.db2.gz LHLBLNDGZWIESO-YXYSEUPNSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@H]1C[C@H](CC[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000539041500 314291185 /nfs/dbraw/zinc/29/11/85/314291185.db2.gz LHLBLNDGZWIESO-YXYSEUPNSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@H]1C[C@H](CC[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000539041500 314291188 /nfs/dbraw/zinc/29/11/88/314291188.db2.gz LHLBLNDGZWIESO-YXYSEUPNSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@H]1C[C@H](CC[NH2+][C@@H]2CCN(C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000539041500 314291194 /nfs/dbraw/zinc/29/11/94/314291194.db2.gz LHLBLNDGZWIESO-YXYSEUPNSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]1C[C@H](CC[NH2+][C@@H]2CCN(C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000539041500 314291197 /nfs/dbraw/zinc/29/11/97/314291197.db2.gz LHLBLNDGZWIESO-YXYSEUPNSA-N 2 1 329.532 3.359 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)[C@H](C)C1 ZINC000539062395 314293894 /nfs/dbraw/zinc/29/38/94/314293894.db2.gz WXDBUSXRRJGSQK-DSTKQXLTSA-N 2 1 342.527 3.299 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000540139882 314364636 /nfs/dbraw/zinc/36/46/36/314364636.db2.gz GZXFGPRZMZOXNC-AOIWGVFYSA-N 2 1 326.488 3.371 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541024923 314429581 /nfs/dbraw/zinc/42/95/81/314429581.db2.gz URVBVIIUYQHMIW-INIZCTEOSA-N 2 1 341.377 3.314 20 0 EGADMP C[C@@H](CCc1ccco1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000545948018 314795764 /nfs/dbraw/zinc/79/57/64/314795764.db2.gz VKPQKVSOGFZVOA-WMZOPIPTSA-N 2 1 347.528 3.241 20 0 EGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000549796749 315104709 /nfs/dbraw/zinc/10/47/09/315104709.db2.gz HPHWVHDSWVAKJT-TZIWHRDSSA-N 2 1 348.506 3.173 20 0 EGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c3ccccc3)C1)C2 ZINC000550994172 315139782 /nfs/dbraw/zinc/13/97/82/315139782.db2.gz JLLKZTMLISZZNJ-QKNQBKEWSA-N 2 1 336.483 3.067 20 0 EGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c3ccccc3)C1)C2 ZINC000550994172 315139784 /nfs/dbraw/zinc/13/97/84/315139784.db2.gz JLLKZTMLISZZNJ-QKNQBKEWSA-N 2 1 336.483 3.067 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCCC[NH+](C)C ZINC000552361566 315215912 /nfs/dbraw/zinc/21/59/12/315215912.db2.gz DMJOUNFNEAVFJQ-GOSISDBHSA-N 2 1 345.531 3.409 20 0 EGADMP O[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000554390630 315314992 /nfs/dbraw/zinc/31/49/92/315314992.db2.gz MHIPBWDXQYJJNM-FDKIHUSFSA-N 2 1 328.500 3.180 20 0 EGADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)c1 ZINC000561137639 315742954 /nfs/dbraw/zinc/74/29/54/315742954.db2.gz MWHSUEHAVOLBID-KRWDZBQOSA-N 2 1 340.471 3.234 20 0 EGADMP Cc1ccc(C[C@@H]2CCC[N@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)cc1 ZINC000563887615 316086522 /nfs/dbraw/zinc/08/65/22/316086522.db2.gz IBQAIECINVOKDP-INIZCTEOSA-N 2 1 328.460 3.027 20 0 EGADMP Cc1ccc(C[C@@H]2CCC[N@@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)cc1 ZINC000563887615 316086527 /nfs/dbraw/zinc/08/65/27/316086527.db2.gz IBQAIECINVOKDP-INIZCTEOSA-N 2 1 328.460 3.027 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000564096008 316112802 /nfs/dbraw/zinc/11/28/02/316112802.db2.gz DAQMFACJGHJLBC-BFHYXJOUSA-N 2 1 332.410 3.100 20 0 EGADMP Fc1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1Cl ZINC000569991444 316992699 /nfs/dbraw/zinc/99/26/99/316992699.db2.gz ZUNPMOCEVASPIB-UHFFFAOYSA-N 2 1 340.870 3.413 20 0 EGADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000570360045 317044893 /nfs/dbraw/zinc/04/48/93/317044893.db2.gz KGMXNGPUNAIMBJ-CHWSQXEVSA-N 2 1 343.284 3.451 20 0 EGADMP [NH3+]Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000571147821 317156809 /nfs/dbraw/zinc/15/68/09/317156809.db2.gz ZFZVFYJZSYYHOW-SFHVURJKSA-N 2 1 330.476 3.064 20 0 EGADMP CC[C@@H]1CC[C@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000571711184 317235845 /nfs/dbraw/zinc/23/58/45/317235845.db2.gz ZPZDYSAUQAPTEW-WIYYLYMNSA-N 2 1 346.515 3.454 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C(C)C)C3CCCC3)CC2)CC1 ZINC000572056348 317284351 /nfs/dbraw/zinc/28/43/51/317284351.db2.gz SBSQPRVCHOWSCO-UHFFFAOYSA-N 2 1 349.563 3.362 20 0 EGADMP COc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1Br ZINC000290308787 456287411 /nfs/dbraw/zinc/28/74/11/456287411.db2.gz BZIGSZDIOKFXGP-WFASDCNBSA-N 2 1 341.293 3.230 20 0 EGADMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1Br ZINC000290308787 456287418 /nfs/dbraw/zinc/28/74/18/456287418.db2.gz BZIGSZDIOKFXGP-WFASDCNBSA-N 2 1 341.293 3.230 20 0 EGADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1Br ZINC000290308787 456287424 /nfs/dbraw/zinc/28/74/24/456287424.db2.gz BZIGSZDIOKFXGP-WFASDCNBSA-N 2 1 341.293 3.230 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000178035396 323349554 /nfs/dbraw/zinc/34/95/54/323349554.db2.gz NGPBWGLDMHPCGD-GBESFXJTSA-N 2 1 348.531 3.495 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000178184378 323352544 /nfs/dbraw/zinc/35/25/44/323352544.db2.gz AKYXQIVVRIDCSP-UEKVPHQBSA-N 2 1 329.257 3.407 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000178184378 323352548 /nfs/dbraw/zinc/35/25/48/323352548.db2.gz AKYXQIVVRIDCSP-UEKVPHQBSA-N 2 1 329.257 3.407 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000178786185 323360146 /nfs/dbraw/zinc/36/01/46/323360146.db2.gz WXEAQTINTHAZCN-AWEZNQCLSA-N 2 1 326.444 3.207 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@@H]4CC[NH+]5CCCC[C@@H]45)[C@H]3C2)cc1 ZINC000385803310 324263632 /nfs/dbraw/zinc/26/36/32/324263632.db2.gz KKXWGCYTCJSPEN-KGWSWXIGSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[C@H](N[C@@H]4CC[N@@H+]5CCCC[C@@H]45)[C@H]3C2)cc1 ZINC000385803310 324263636 /nfs/dbraw/zinc/26/36/36/324263636.db2.gz KKXWGCYTCJSPEN-KGWSWXIGSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[C@H](N[C@@H]4CC[N@H+]5CCCC[C@@H]45)[C@H]3C2)cc1 ZINC000385803310 324263641 /nfs/dbraw/zinc/26/36/41/324263641.db2.gz KKXWGCYTCJSPEN-KGWSWXIGSA-N 2 1 339.527 3.113 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000578761987 325015138 /nfs/dbraw/zinc/01/51/38/325015138.db2.gz WAIJXHNCMAMPMO-IXDOHACOSA-N 2 1 344.421 3.244 20 0 EGADMP CCC(CC)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000579407930 325104214 /nfs/dbraw/zinc/10/42/14/325104214.db2.gz RBUMKANDPOSYDG-OAQYLSRUSA-N 2 1 329.532 3.315 20 0 EGADMP CC(CC[NH+]1CC[C@@H](OC(C)C)C1)CC[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000580069216 325198399 /nfs/dbraw/zinc/19/83/99/325198399.db2.gz QOGSKFKGWRSKLM-WOJBJXKFSA-N 2 1 340.552 3.401 20 0 EGADMP [NH3+]C[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C1CCCCC1 ZINC000580946186 325312752 /nfs/dbraw/zinc/31/27/52/325312752.db2.gz IYUNHDUFAIRLMD-BSLVTKGXSA-N 2 1 341.499 3.316 20 0 EGADMP Cn1cncc1CCC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000581318742 325351715 /nfs/dbraw/zinc/35/17/15/325351715.db2.gz GRXQTUTVCTWTQG-OAHLLOKOSA-N 2 1 345.409 3.034 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000581318742 325351716 /nfs/dbraw/zinc/35/17/16/325351716.db2.gz GRXQTUTVCTWTQG-OAHLLOKOSA-N 2 1 345.409 3.034 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000581318742 325351717 /nfs/dbraw/zinc/35/17/17/325351717.db2.gz GRXQTUTVCTWTQG-OAHLLOKOSA-N 2 1 345.409 3.034 20 0 EGADMP C[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[NH+]1CC(C)C1 ZINC000581616456 325377017 /nfs/dbraw/zinc/37/70/17/325377017.db2.gz NBFBLNZQFGSVSO-ZWKOTPCHSA-N 2 1 343.515 3.106 20 0 EGADMP Cc1ccc2cc[nH+]c(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000583690054 325544185 /nfs/dbraw/zinc/54/41/85/325544185.db2.gz BEBSYPAKQIWMBT-INIZCTEOSA-N 2 1 325.456 3.456 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000173319573 455265079 /nfs/dbraw/zinc/26/50/79/455265079.db2.gz SNKLEQYVKPHRMF-OAHLLOKOSA-N 2 1 325.447 3.033 20 0 EGADMP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+](C)CCCn1ccnc1 ZINC000181109100 455289563 /nfs/dbraw/zinc/28/95/63/455289563.db2.gz VPQMDAXGKKBIIX-AWEZNQCLSA-N 2 1 334.851 3.194 20 0 EGADMP CCOc1ccccc1OCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834313 453929330 /nfs/dbraw/zinc/92/93/30/453929330.db2.gz VHWSEBLHSVKFQY-GOSISDBHSA-N 2 1 332.488 3.272 20 0 EGADMP CCOc1ccccc1OCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834313 453929333 /nfs/dbraw/zinc/92/93/33/453929333.db2.gz VHWSEBLHSVKFQY-GOSISDBHSA-N 2 1 332.488 3.272 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000067507200 453936308 /nfs/dbraw/zinc/93/63/08/453936308.db2.gz MEIUSRFHUNIAOJ-GOSISDBHSA-N 2 1 339.483 3.481 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000067507200 453936311 /nfs/dbraw/zinc/93/63/11/453936311.db2.gz MEIUSRFHUNIAOJ-GOSISDBHSA-N 2 1 339.483 3.481 20 0 EGADMP COCC[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC000190852107 455392105 /nfs/dbraw/zinc/39/21/05/455392105.db2.gz LJXJVUIIVZSESZ-UHFFFAOYSA-N 2 1 330.394 3.214 20 0 EGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000184505869 455392733 /nfs/dbraw/zinc/39/27/33/455392733.db2.gz AMTHZXWVSLGQHP-DLBZAZTESA-N 2 1 348.487 3.154 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Br)cc1F ZINC000069754126 454141274 /nfs/dbraw/zinc/14/12/74/454141274.db2.gz HIKWVYITZSYFSZ-UHFFFAOYSA-N 2 1 326.213 3.273 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000057833890 454150423 /nfs/dbraw/zinc/15/04/23/454150423.db2.gz DVAHLQHAEYSNOQ-HXUWFJFHSA-N 2 1 345.531 3.308 20 0 EGADMP CC(C)N(CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000131560839 454264835 /nfs/dbraw/zinc/26/48/35/454264835.db2.gz FCEAQYMLVNDTEC-HZPDHXFCSA-N 2 1 327.513 3.094 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCCOC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000090083812 454274906 /nfs/dbraw/zinc/27/49/06/454274906.db2.gz ZOKSJDMFGOZFIL-UYAOXDASSA-N 2 1 346.515 3.215 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCCOC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000090083812 454274910 /nfs/dbraw/zinc/27/49/10/454274910.db2.gz ZOKSJDMFGOZFIL-UYAOXDASSA-N 2 1 346.515 3.215 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000090234853 454297101 /nfs/dbraw/zinc/29/71/01/454297101.db2.gz ITQQGKVKPYCQIC-VNHYZAJKSA-N 2 1 330.394 3.446 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(F)cc(F)c1 ZINC000090525662 454317681 /nfs/dbraw/zinc/31/76/81/454317681.db2.gz HAWGRVQPTMLNHJ-AGRHKRQWSA-N 2 1 338.442 3.383 20 0 EGADMP CCC(CC)(C[NH2+][C@@H]1CCNC(=O)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000634962875 460632901 /nfs/dbraw/zinc/63/29/01/460632901.db2.gz DQPKNOFZXNKIAC-WMZOPIPTSA-N 2 1 331.504 3.154 20 0 EGADMP Cc1csc(N2CCC([NH2+]C[C@H](C(C)C)[NH+]3CCCC3)CC2)n1 ZINC000132971981 454381720 /nfs/dbraw/zinc/38/17/20/454381720.db2.gz PBTAHNMIZUUYNL-QGZVFWFLSA-N 2 1 336.549 3.130 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC000073215344 454408984 /nfs/dbraw/zinc/40/89/84/454408984.db2.gz FRMJHRGNJQWJMJ-QGZVFWFLSA-N 2 1 334.508 3.167 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC000073215344 454408986 /nfs/dbraw/zinc/40/89/86/454408986.db2.gz FRMJHRGNJQWJMJ-QGZVFWFLSA-N 2 1 334.508 3.167 20 0 EGADMP COc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1Br ZINC000133355724 454417068 /nfs/dbraw/zinc/41/70/68/454417068.db2.gz UGPFGCMRMFTRAL-AWEZNQCLSA-N 2 1 329.282 3.263 20 0 EGADMP COc1cc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc(OC)c1OC ZINC000121451070 454436489 /nfs/dbraw/zinc/43/64/89/454436489.db2.gz KUPDLRBGTHCATK-KBPBESRZSA-N 2 1 347.459 3.204 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000121454127 454437417 /nfs/dbraw/zinc/43/74/17/454437417.db2.gz VQQVYPNDBCBTAN-DOTOQJQBSA-N 2 1 342.487 3.451 20 0 EGADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073700819 454469062 /nfs/dbraw/zinc/46/90/62/454469062.db2.gz WXDRUWVTVVCXLD-RBUKOAKNSA-N 2 1 336.439 3.182 20 0 EGADMP CC[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000079843677 454488754 /nfs/dbraw/zinc/48/87/54/454488754.db2.gz QZCHFMKZNCRCBR-SFHVURJKSA-N 2 1 343.515 3.021 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000134168968 454511405 /nfs/dbraw/zinc/51/14/05/454511405.db2.gz ICKDJHSBSFMWLA-UHFFFAOYSA-N 2 1 341.503 3.416 20 0 EGADMP COc1cc(C)c(C[N@H+](C)CCCCn2cc[nH+]c2C)cc1OC ZINC000122541133 454545199 /nfs/dbraw/zinc/54/51/99/454545199.db2.gz ALFPWMGTRKXYKS-UHFFFAOYSA-N 2 1 331.460 3.429 20 0 EGADMP COc1cc(C)c(C[N@@H+](C)CCCCn2cc[nH+]c2C)cc1OC ZINC000122541133 454545203 /nfs/dbraw/zinc/54/52/03/454545203.db2.gz ALFPWMGTRKXYKS-UHFFFAOYSA-N 2 1 331.460 3.429 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000104204925 454578194 /nfs/dbraw/zinc/57/81/94/454578194.db2.gz UWBRMWWJZQEZHI-PKOBYXMFSA-N 2 1 347.503 3.043 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC000080568622 454600054 /nfs/dbraw/zinc/60/00/54/454600054.db2.gz XSRLAZTYKBLKRR-PMACEKPBSA-N 2 1 343.515 3.017 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080568622 454600059 /nfs/dbraw/zinc/60/00/59/454600059.db2.gz XSRLAZTYKBLKRR-PMACEKPBSA-N 2 1 343.515 3.017 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080568622 454600063 /nfs/dbraw/zinc/60/00/63/454600063.db2.gz XSRLAZTYKBLKRR-PMACEKPBSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000092745670 454623621 /nfs/dbraw/zinc/62/36/21/454623621.db2.gz NJWUAHPTYRSLKS-AEFFLSMTSA-N 2 1 327.447 3.436 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000092745670 454623626 /nfs/dbraw/zinc/62/36/26/454623626.db2.gz NJWUAHPTYRSLKS-AEFFLSMTSA-N 2 1 327.447 3.436 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2nc(C)cc2C)[C@H](C)C1 ZINC000123517844 454645985 /nfs/dbraw/zinc/64/59/85/454645985.db2.gz CBIIHKVJSIIOFP-BEFAXECRSA-N 2 1 326.488 3.309 20 0 EGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2cccs2)C2CCCC2)C1 ZINC000093405495 454712471 /nfs/dbraw/zinc/71/24/71/454712471.db2.gz VXXNFYMPPQPKMS-FUHWJXTLSA-N 2 1 349.544 3.156 20 0 EGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1Cl ZINC000124376745 454726033 /nfs/dbraw/zinc/72/60/33/454726033.db2.gz MTBSADPBYBEBRO-AWEZNQCLSA-N 2 1 341.902 3.403 20 0 EGADMP CC1(C)[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]2CCO[C@@H]21 ZINC000161941494 454739056 /nfs/dbraw/zinc/73/90/56/454739056.db2.gz MPUYWCDFOQNCFJ-UFYCRDLUSA-N 2 1 328.500 3.097 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000162300576 454765620 /nfs/dbraw/zinc/76/56/20/454765620.db2.gz VKOWEUZRPQRACN-OAHLLOKOSA-N 2 1 340.471 3.422 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000635011580 460654552 /nfs/dbraw/zinc/65/45/52/460654552.db2.gz QYJLOGVNFWHAJC-PGRDOPGGSA-N 3 1 349.522 3.475 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000635011580 460654557 /nfs/dbraw/zinc/65/45/57/460654557.db2.gz QYJLOGVNFWHAJC-PGRDOPGGSA-N 3 1 349.522 3.475 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000162723279 454796313 /nfs/dbraw/zinc/79/63/13/454796313.db2.gz XVMSIJQWXHSDFT-KSSFIOAISA-N 2 1 329.419 3.443 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000162723279 454796317 /nfs/dbraw/zinc/79/63/17/454796317.db2.gz XVMSIJQWXHSDFT-KSSFIOAISA-N 2 1 329.419 3.443 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000162769147 454799611 /nfs/dbraw/zinc/79/96/11/454799611.db2.gz PABPFJVDEMKVHR-GOSISDBHSA-N 2 1 349.482 3.440 20 0 EGADMP C[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000162811935 454802017 /nfs/dbraw/zinc/80/20/17/454802017.db2.gz JMTRVANPRUSKAE-OTWHNJEPSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1CC1 ZINC000177288183 454847420 /nfs/dbraw/zinc/84/74/20/454847420.db2.gz ZSJDMVUSFVIPMG-INIZCTEOSA-N 2 1 332.488 3.064 20 0 EGADMP CCOc1ccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000153961447 454851932 /nfs/dbraw/zinc/85/19/32/454851932.db2.gz GLPJYKWKLAAEIW-RTBURBONSA-N 2 1 345.531 3.076 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000163583668 454856830 /nfs/dbraw/zinc/85/68/30/454856830.db2.gz NHUAZXLZJRGYOA-KXBFYZLASA-N 2 1 335.923 3.377 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC000163583668 454856833 /nfs/dbraw/zinc/85/68/33/454856833.db2.gz NHUAZXLZJRGYOA-KXBFYZLASA-N 3 1 335.923 3.377 20 0 EGADMP CC(C)n1ccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000177512904 454872156 /nfs/dbraw/zinc/87/21/56/454872156.db2.gz DWBGZROZQZAZIZ-QZTJIDSGSA-N 2 1 348.535 3.175 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000164019389 454872791 /nfs/dbraw/zinc/87/27/91/454872791.db2.gz XGCOPWXVXSUVBV-LVCYWYKZSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000164019389 454872794 /nfs/dbraw/zinc/87/27/94/454872794.db2.gz XGCOPWXVXSUVBV-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000164019389 454872797 /nfs/dbraw/zinc/87/27/97/454872797.db2.gz XGCOPWXVXSUVBV-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000164019389 454872800 /nfs/dbraw/zinc/87/28/00/454872800.db2.gz XGCOPWXVXSUVBV-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000635012595 460656315 /nfs/dbraw/zinc/65/63/15/460656315.db2.gz WYMLKDUTNBCPAI-VGOFRKELSA-N 3 1 341.543 3.465 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cccnc1Oc1cccc(F)c1 ZINC000154688903 454919786 /nfs/dbraw/zinc/91/97/86/454919786.db2.gz XAJOUGZDMSVMDV-KDOFPFPSSA-N 2 1 329.419 3.443 20 0 EGADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000154688903 454919789 /nfs/dbraw/zinc/91/97/89/454919789.db2.gz XAJOUGZDMSVMDV-KDOFPFPSSA-N 2 1 329.419 3.443 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000178077655 454933097 /nfs/dbraw/zinc/93/30/97/454933097.db2.gz KPUREXYSPFVRFC-QUCCMNQESA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@H+]1CC[C@@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000151114337 454939878 /nfs/dbraw/zinc/93/98/78/454939878.db2.gz KYMRWPKVBHWPDJ-IBGZPJMESA-N 2 1 347.522 3.154 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000151114337 454939881 /nfs/dbraw/zinc/93/98/81/454939881.db2.gz KYMRWPKVBHWPDJ-IBGZPJMESA-N 2 1 347.522 3.154 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000151114337 454939884 /nfs/dbraw/zinc/93/98/84/454939884.db2.gz KYMRWPKVBHWPDJ-IBGZPJMESA-N 2 1 347.522 3.154 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000114455822 454955181 /nfs/dbraw/zinc/95/51/81/454955181.db2.gz ARXHWZJEGWEOLY-SFHVURJKSA-N 2 1 345.531 3.285 20 0 EGADMP CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178716069 454969247 /nfs/dbraw/zinc/96/92/47/454969247.db2.gz TZNGYXRKYFPGLE-CABCVRRESA-N 2 1 328.460 3.136 20 0 EGADMP C[C@@H](CC[NH2+]C1CCN(CC(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC000156211135 455093358 /nfs/dbraw/zinc/09/33/58/455093358.db2.gz UBTXMUGPHCMIGJ-INIZCTEOSA-N 2 1 339.474 3.216 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)N1CCCC[C@@H]1C ZINC000156213703 455093925 /nfs/dbraw/zinc/09/39/25/455093925.db2.gz FQQJMILKUZQYRT-DLBZAZTESA-N 2 1 335.536 3.163 20 0 EGADMP C[NH+](C)CCC1CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000171971935 455104344 /nfs/dbraw/zinc/10/43/44/455104344.db2.gz MVRZGDOXIUDNRT-UHFFFAOYSA-N 2 1 326.282 3.008 20 0 EGADMP Cc1cc(C)n(CCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000156353144 455108101 /nfs/dbraw/zinc/10/81/01/455108101.db2.gz TXYOEDRUGXIZFO-UHFFFAOYSA-N 2 1 340.515 3.187 20 0 EGADMP Cc1ccccc1C1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCOCC1 ZINC000152411810 455115479 /nfs/dbraw/zinc/11/54/79/455115479.db2.gz SCEYMCGAWXCYLM-NLWGTHIKSA-N 2 1 330.516 3.362 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCC[C@H]5OCC[C@@H]54)[C@@H]3C2)cc1 ZINC000180170807 455144242 /nfs/dbraw/zinc/14/42/42/455144242.db2.gz ICQYBUFWEZXHNB-LJUYRKFLSA-N 2 1 340.511 3.444 20 0 EGADMP CCCn1cc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000180181439 455145585 /nfs/dbraw/zinc/14/55/85/455145585.db2.gz OAYMMZYKZYEAIL-HDICACEKSA-N 2 1 348.535 3.004 20 0 EGADMP C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182819664 455171465 /nfs/dbraw/zinc/17/14/65/455171465.db2.gz YMBIELGZOCBPMS-QFBILLFUSA-N 2 1 343.515 3.131 20 0 EGADMP C[C@@H](C[NH+]1CCCCC1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000237498361 455190264 /nfs/dbraw/zinc/19/02/64/455190264.db2.gz GSGVIOXMDKMFKX-IBGZPJMESA-N 2 1 345.531 3.125 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000158565584 455313048 /nfs/dbraw/zinc/31/30/48/455313048.db2.gz PAUSBFIQXXUBGF-IYBDPMFKSA-N 2 1 349.485 3.361 20 0 EGADMP CCOc1ccc(NC(=O)[C@H](C)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000173634342 455319693 /nfs/dbraw/zinc/31/96/93/455319693.db2.gz DQVWDSAESJXTFB-WMZOPIPTSA-N 2 1 347.503 3.219 20 0 EGADMP CCC1(CC)[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C[C@@H]1OC ZINC000181948017 455402988 /nfs/dbraw/zinc/40/29/88/455402988.db2.gz CAZFZDLQJAGQRU-MSOLQXFVSA-N 2 1 338.536 3.205 20 0 EGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000190956256 455414350 /nfs/dbraw/zinc/41/43/50/455414350.db2.gz ONECEPSTTMJTLN-KRWDZBQOSA-N 2 1 344.421 3.340 20 0 EGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182266394 455476322 /nfs/dbraw/zinc/47/63/22/455476322.db2.gz VGZKJVPYRFQEAH-BUVFEPMLSA-N 2 1 336.479 3.276 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000267156624 455508716 /nfs/dbraw/zinc/50/87/16/455508716.db2.gz OPCYLDIHORGMHR-HXUWFJFHSA-N 2 1 343.515 3.203 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000246919867 455535492 /nfs/dbraw/zinc/53/54/92/455535492.db2.gz GQYRDFQHJSXZRJ-LRDDRELGSA-N 2 1 343.284 3.451 20 0 EGADMP CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247030523 455547120 /nfs/dbraw/zinc/54/71/20/455547120.db2.gz YJIOKEYBOPQVQH-OALUTQOASA-N 2 1 330.472 3.168 20 0 EGADMP CC(C)OC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247030523 455547122 /nfs/dbraw/zinc/54/71/22/455547122.db2.gz YJIOKEYBOPQVQH-OALUTQOASA-N 2 1 330.472 3.168 20 0 EGADMP CC(C)OC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247030523 455547125 /nfs/dbraw/zinc/54/71/25/455547125.db2.gz YJIOKEYBOPQVQH-OALUTQOASA-N 2 1 330.472 3.168 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000247048212 455550928 /nfs/dbraw/zinc/55/09/28/455550928.db2.gz OQJYKTFEIDYEPH-HLIPFELVSA-N 3 1 332.536 3.460 20 0 EGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccoc1 ZINC000247150867 455566264 /nfs/dbraw/zinc/56/62/64/455566264.db2.gz SXWNCXWAHWGZSW-XLIONFOSSA-N 2 1 327.472 3.309 20 0 EGADMP CC(C)CN(C(=O)CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000185671695 455593147 /nfs/dbraw/zinc/59/31/47/455593147.db2.gz FNZYPDPJQREHHI-ROUUACIJSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CN(C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000185671695 455593150 /nfs/dbraw/zinc/59/31/50/455593150.db2.gz FNZYPDPJQREHHI-ROUUACIJSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CN(C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000185671695 455593153 /nfs/dbraw/zinc/59/31/53/455593153.db2.gz FNZYPDPJQREHHI-ROUUACIJSA-N 2 1 337.552 3.122 20 0 EGADMP COc1cccc(OCC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185672708 455593526 /nfs/dbraw/zinc/59/35/26/455593526.db2.gz GBHUPBKMGYZXQP-IAGOWNOFSA-N 2 1 332.488 3.317 20 0 EGADMP Cc1cccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000185707637 455602156 /nfs/dbraw/zinc/60/21/56/455602156.db2.gz HKFAQUYDFVRNQL-ZWKOTPCHSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1cccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000185707637 455602158 /nfs/dbraw/zinc/60/21/58/455602158.db2.gz HKFAQUYDFVRNQL-ZWKOTPCHSA-N 2 1 343.515 3.485 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1F ZINC000185726413 455608064 /nfs/dbraw/zinc/60/80/64/455608064.db2.gz LPHDZLMMBZEBQB-GDBMZVCRSA-N 2 1 348.462 3.355 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1F ZINC000185726413 455608067 /nfs/dbraw/zinc/60/80/67/455608067.db2.gz LPHDZLMMBZEBQB-GDBMZVCRSA-N 2 1 348.462 3.355 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749852 455614011 /nfs/dbraw/zinc/61/40/11/455614011.db2.gz SMAQOXOFRWZYPD-APWZRJJASA-N 2 1 343.515 3.131 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749852 455614016 /nfs/dbraw/zinc/61/40/16/455614016.db2.gz SMAQOXOFRWZYPD-APWZRJJASA-N 2 1 343.515 3.131 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000271471533 455649632 /nfs/dbraw/zinc/64/96/32/455649632.db2.gz IJBBDOQZWIQVDH-RNQOJCNYSA-N 2 1 341.503 3.027 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000271471533 455649634 /nfs/dbraw/zinc/64/96/34/455649634.db2.gz IJBBDOQZWIQVDH-RNQOJCNYSA-N 2 1 341.503 3.027 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000192658730 455663276 /nfs/dbraw/zinc/66/32/76/455663276.db2.gz PNTYTADILDPETD-GDBMZVCRSA-N 2 1 346.471 3.216 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000192658730 455663282 /nfs/dbraw/zinc/66/32/82/455663282.db2.gz PNTYTADILDPETD-GDBMZVCRSA-N 2 1 346.471 3.216 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000247970961 455663382 /nfs/dbraw/zinc/66/33/82/455663382.db2.gz JIBMHFKJXOKODE-QFBILLFUSA-N 2 1 329.532 3.406 20 0 EGADMP CCOc1ccc(CC[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OCC ZINC000248030088 455672243 /nfs/dbraw/zinc/67/22/43/455672243.db2.gz QCILPDQFWAWPJC-FUHWJXTLSA-N 2 1 334.504 3.346 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCC(C)(C)[NH+]1CCCCC1 ZINC000248033602 455673493 /nfs/dbraw/zinc/67/34/93/455673493.db2.gz RAFLFTDTDULYNF-UYAOXDASSA-N 2 1 344.547 3.146 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCC(C)(C)[NH+]1CCCCC1 ZINC000248033602 455673499 /nfs/dbraw/zinc/67/34/99/455673499.db2.gz RAFLFTDTDULYNF-UYAOXDASSA-N 2 1 344.547 3.146 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)[C@@H](C)C1 ZINC000248057516 455676106 /nfs/dbraw/zinc/67/61/06/455676106.db2.gz XRDHCVOYGQXEHP-KKSFZXQISA-N 2 1 340.515 3.368 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)[C@@H](C)C1 ZINC000248057516 455676114 /nfs/dbraw/zinc/67/61/14/455676114.db2.gz XRDHCVOYGQXEHP-KKSFZXQISA-N 2 1 340.515 3.368 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3Cl)CC[C@H]21 ZINC000248126773 455684542 /nfs/dbraw/zinc/68/45/42/455684542.db2.gz NZUBRMZNLZFECT-RHSMWYFYSA-N 2 1 335.879 3.085 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3Cl)CC[C@H]21 ZINC000248126773 455684545 /nfs/dbraw/zinc/68/45/45/455684545.db2.gz NZUBRMZNLZFECT-RHSMWYFYSA-N 2 1 335.879 3.085 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3Cl)CC[C@H]21 ZINC000248126773 455684546 /nfs/dbraw/zinc/68/45/46/455684546.db2.gz NZUBRMZNLZFECT-RHSMWYFYSA-N 2 1 335.879 3.085 20 0 EGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000248186260 455696609 /nfs/dbraw/zinc/69/66/09/455696609.db2.gz XKXWQTVLLSJZRN-HOCLYGCPSA-N 2 1 340.895 3.236 20 0 EGADMP CC[C@@H]1CCCC[N@@H+]1CCN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000248202197 455698356 /nfs/dbraw/zinc/69/83/56/455698356.db2.gz ZBIZNBVZKXYVJD-TYPHKJRUSA-N 2 1 344.547 3.146 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000248202197 455698361 /nfs/dbraw/zinc/69/83/61/455698361.db2.gz ZBIZNBVZKXYVJD-TYPHKJRUSA-N 2 1 344.547 3.146 20 0 EGADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000248202197 455698365 /nfs/dbraw/zinc/69/83/65/455698365.db2.gz ZBIZNBVZKXYVJD-TYPHKJRUSA-N 2 1 344.547 3.146 20 0 EGADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000248202197 455698370 /nfs/dbraw/zinc/69/83/70/455698370.db2.gz ZBIZNBVZKXYVJD-TYPHKJRUSA-N 2 1 344.547 3.146 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000271655123 455713280 /nfs/dbraw/zinc/71/32/80/455713280.db2.gz CCCHSFGBOMAMBT-DYESRHJHSA-N 2 1 346.515 3.386 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000271655130 455713445 /nfs/dbraw/zinc/71/34/45/455713445.db2.gz CCCHSFGBOMAMBT-UTKZUKDTSA-N 2 1 346.515 3.386 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268901810 455724948 /nfs/dbraw/zinc/72/49/48/455724948.db2.gz WTEQSWWVZUOEOA-AWEZNQCLSA-N 2 1 341.459 3.216 20 0 EGADMP CC(C)(C)C[C@H](O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268923128 455731634 /nfs/dbraw/zinc/73/16/34/455731634.db2.gz PJLXGPNNFVSPKK-IBGZPJMESA-N 2 1 336.495 3.219 20 0 EGADMP Cc1ccc2cc(C[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)ccc2n1 ZINC000278027581 455737468 /nfs/dbraw/zinc/73/74/68/455737468.db2.gz WUVSIDQWOMECNL-KRWDZBQOSA-N 2 1 327.472 3.134 20 0 EGADMP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000249881348 455781191 /nfs/dbraw/zinc/78/11/91/455781191.db2.gz HQDJUGKPKBDFJR-AHJNKEMKSA-N 2 1 342.527 3.428 20 0 EGADMP CCC[N@@H+](CCCn1ccnc1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000269137055 455797261 /nfs/dbraw/zinc/79/72/61/455797261.db2.gz UGGAJFVFAOFLOF-INIZCTEOSA-N 2 1 328.460 3.321 20 0 EGADMP CCC[N@H+](CCCn1cc[nH+]c1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000269137055 455797263 /nfs/dbraw/zinc/79/72/63/455797263.db2.gz UGGAJFVFAOFLOF-INIZCTEOSA-N 2 1 328.460 3.321 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000194275314 455822360 /nfs/dbraw/zinc/82/23/60/455822360.db2.gz HMMZJOBLWULNJH-UHFFFAOYSA-N 2 1 343.515 3.017 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000252696223 455829225 /nfs/dbraw/zinc/82/92/25/455829225.db2.gz XOLVEYXOTWUOQE-LNLFQRSKSA-N 2 1 329.488 3.047 20 0 EGADMP CCN(C)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000253351564 455833144 /nfs/dbraw/zinc/83/31/44/455833144.db2.gz KWRLNTFAACJLER-WMZOPIPTSA-N 2 1 330.520 3.280 20 0 EGADMP Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000285587172 455876288 /nfs/dbraw/zinc/87/62/88/455876288.db2.gz HQDAFBJKMNHHBP-PBWTXFEYSA-N 2 1 336.426 3.481 20 0 EGADMP CCOC1CC(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000285644139 455888107 /nfs/dbraw/zinc/88/81/07/455888107.db2.gz RZAXPVNTPXUPAQ-CBNMVNINSA-N 2 1 328.500 3.400 20 0 EGADMP CCOC1CC(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000285644139 455888112 /nfs/dbraw/zinc/88/81/12/455888112.db2.gz RZAXPVNTPXUPAQ-CBNMVNINSA-N 2 1 328.500 3.400 20 0 EGADMP CCOC1CC(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000285644139 455888115 /nfs/dbraw/zinc/88/81/15/455888115.db2.gz RZAXPVNTPXUPAQ-CBNMVNINSA-N 2 1 328.500 3.400 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3c(OC)cccc32)CC1 ZINC000194849284 455890711 /nfs/dbraw/zinc/89/07/11/455890711.db2.gz OBGZKWDGJLNGNE-FQEVSTJZSA-N 2 1 345.531 3.080 20 0 EGADMP Cc1cc(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000272251450 455892419 /nfs/dbraw/zinc/89/24/19/455892419.db2.gz CCDHTKWMZBOXRB-WMZOPIPTSA-N 2 1 338.455 3.422 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261643703 455920010 /nfs/dbraw/zinc/92/00/10/455920010.db2.gz GMHRILYTHBFEGS-SFHVURJKSA-N 2 1 332.879 3.313 20 0 EGADMP C[C@H]1COCC[C@H]1Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000195104942 455922165 /nfs/dbraw/zinc/92/21/65/455922165.db2.gz MUKKSINCLXJTQJ-OXJNMPFZSA-N 2 1 331.504 3.302 20 0 EGADMP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261652749 455922338 /nfs/dbraw/zinc/92/23/38/455922338.db2.gz GLZCTVGDWLUIHM-LZQZEXGQSA-N 2 1 348.450 3.472 20 0 EGADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261652749 455922342 /nfs/dbraw/zinc/92/23/42/455922342.db2.gz GLZCTVGDWLUIHM-LZQZEXGQSA-N 2 1 348.450 3.472 20 0 EGADMP c1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000261728989 455935466 /nfs/dbraw/zinc/93/54/66/455935466.db2.gz RNQZSCPWDAYBMS-BURNTYAHSA-N 2 1 327.516 3.334 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)C[C@H]1c1ccccc1 ZINC000261796950 455950261 /nfs/dbraw/zinc/95/02/61/455950261.db2.gz QNMQELWBBSWKOI-AEFFLSMTSA-N 2 1 332.394 3.462 20 0 EGADMP COc1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000272489219 455968578 /nfs/dbraw/zinc/96/85/78/455968578.db2.gz MWABVAUCUMSZRU-WMZOPIPTSA-N 2 1 325.456 3.090 20 0 EGADMP COc1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000272489219 455968580 /nfs/dbraw/zinc/96/85/80/455968580.db2.gz MWABVAUCUMSZRU-WMZOPIPTSA-N 2 1 325.456 3.090 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272491084 455968917 /nfs/dbraw/zinc/96/89/17/455968917.db2.gz NAYHOFXEICRHSI-LRQRDZAKSA-N 2 1 342.458 3.359 20 0 EGADMP Clc1ccc(O[C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000261914726 455970358 /nfs/dbraw/zinc/97/03/58/455970358.db2.gz JTNBOHYETIZIHL-GXTWGEPZSA-N 2 1 329.271 3.446 20 0 EGADMP C[C@H](CCCO)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000286066868 455971413 /nfs/dbraw/zinc/97/14/13/455971413.db2.gz LQCXKDLOPJVMTG-AYWYSENESA-N 2 1 330.516 3.428 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000270528345 455975224 /nfs/dbraw/zinc/97/52/24/455975224.db2.gz UBVMWUGKFLKCIV-XUVXKRRUSA-N 2 1 326.484 3.198 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272531222 455983580 /nfs/dbraw/zinc/98/35/80/455983580.db2.gz ARBHAAONYZPMEV-IEBWSBKVSA-N 2 1 338.499 3.148 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272531222 455983587 /nfs/dbraw/zinc/98/35/87/455983587.db2.gz ARBHAAONYZPMEV-IEBWSBKVSA-N 2 1 338.499 3.148 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccsc2)C[C@H]1c1ccccc1 ZINC000262039457 455989021 /nfs/dbraw/zinc/98/90/21/455989021.db2.gz YEZOQXKRRLJWOS-AEFFLSMTSA-N 2 1 338.480 3.313 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262076708 455993030 /nfs/dbraw/zinc/99/30/30/455993030.db2.gz SOJJVYKYSBXNLF-NRFANRHFSA-N 2 1 338.499 3.042 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262076708 455993034 /nfs/dbraw/zinc/99/30/34/455993034.db2.gz SOJJVYKYSBXNLF-NRFANRHFSA-N 2 1 338.499 3.042 20 0 EGADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCCn1cc[nH+]c1C ZINC000270608564 455995816 /nfs/dbraw/zinc/99/58/16/455995816.db2.gz HHFXWUHXJTYESY-KRWDZBQOSA-N 2 1 331.460 3.210 20 0 EGADMP CC(C)(CCCO)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272571092 455997850 /nfs/dbraw/zinc/99/78/50/455997850.db2.gz PBMYXTFLHJGBIP-XUVXKRRUSA-N 2 1 330.516 3.285 20 0 EGADMP COc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000272589301 456005393 /nfs/dbraw/zinc/00/53/93/456005393.db2.gz XAGVXBFGHXERQA-QFBILLFUSA-N 2 1 325.456 3.090 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCC(O)CC1 ZINC000286250920 456008511 /nfs/dbraw/zinc/00/85/11/456008511.db2.gz UJJVAOMOOVNFGV-UHFFFAOYSA-N 2 1 328.456 3.305 20 0 EGADMP Cc1nccn1CCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272606641 456011454 /nfs/dbraw/zinc/01/14/54/456011454.db2.gz VJTPKHFJODDXBL-PCCBWWKXSA-N 2 1 338.499 3.082 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272606641 456011459 /nfs/dbraw/zinc/01/14/59/456011459.db2.gz VJTPKHFJODDXBL-PCCBWWKXSA-N 3 1 338.499 3.082 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272606641 456011464 /nfs/dbraw/zinc/01/14/64/456011464.db2.gz VJTPKHFJODDXBL-PCCBWWKXSA-N 3 1 338.499 3.082 20 0 EGADMP Cc1ccnc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000286348909 456030027 /nfs/dbraw/zinc/03/00/27/456030027.db2.gz YQZDTQNQPQYNFH-KRWDZBQOSA-N 2 1 339.483 3.198 20 0 EGADMP Cc1ccnc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000286361827 456033638 /nfs/dbraw/zinc/03/36/38/456033638.db2.gz ZTIQQVLDFREFRQ-PXNSSMCTSA-N 2 1 339.483 3.198 20 0 EGADMP Cc1ccnc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000286361827 456033642 /nfs/dbraw/zinc/03/36/42/456033642.db2.gz ZTIQQVLDFREFRQ-PXNSSMCTSA-N 2 1 339.483 3.198 20 0 EGADMP C[NH+]1CCC([NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000272692720 456041309 /nfs/dbraw/zinc/04/13/09/456041309.db2.gz QVVXLZCSWPQDEA-ROUUACIJSA-N 2 1 345.487 3.381 20 0 EGADMP Cc1ccc([C@@H]([NH3+])C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000262614819 456046519 /nfs/dbraw/zinc/04/65/19/456046519.db2.gz CMJBEDDAZUCVME-FXAWDEMLSA-N 2 1 339.483 3.022 20 0 EGADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000272719533 456051264 /nfs/dbraw/zinc/05/12/64/456051264.db2.gz DWMGUZDVRUZVKV-GBESFXJTSA-N 2 1 348.462 3.007 20 0 EGADMP C[C@@H](CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262665094 456052667 /nfs/dbraw/zinc/05/26/67/456052667.db2.gz PFEPKJGABAJVCZ-ICSRJNTNSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000262987458 456074922 /nfs/dbraw/zinc/07/49/22/456074922.db2.gz NIFMPGSMZSGCDZ-AZUAARDMSA-N 2 1 331.504 3.051 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000272809650 456075489 /nfs/dbraw/zinc/07/54/89/456075489.db2.gz CFFPPEXAUGLZGE-LJQANCHMSA-N 2 1 329.488 3.212 20 0 EGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000272848282 456089778 /nfs/dbraw/zinc/08/97/78/456089778.db2.gz ZQWBGPSEDIYEJD-OAQYLSRUSA-N 2 1 349.478 3.414 20 0 EGADMP O[C@@H]1CCCC[C@H]1[C@H]1CCCC[N@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000280968221 456095603 /nfs/dbraw/zinc/09/56/03/456095603.db2.gz KGUAJHIPGUSKQK-IPMKNSEASA-N 2 1 340.471 3.173 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(F)cc3Br)C[C@H]21 ZINC000228474621 456123035 /nfs/dbraw/zinc/12/30/35/456123035.db2.gz BGMJKPVFTDEEDV-WDBKCZKBSA-N 2 1 327.241 3.147 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)cc3Br)C[C@H]21 ZINC000228474621 456123042 /nfs/dbraw/zinc/12/30/42/456123042.db2.gz BGMJKPVFTDEEDV-WDBKCZKBSA-N 2 1 327.241 3.147 20 0 EGADMP CC(C)OCCC[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000271167814 456151258 /nfs/dbraw/zinc/15/12/58/456151258.db2.gz CXSCDTPNXHUYMR-UHFFFAOYSA-N 2 1 347.547 3.464 20 0 EGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)c2C1 ZINC000236721682 456174532 /nfs/dbraw/zinc/17/45/32/456174532.db2.gz DVTMFZXVSPAZPD-SFHVURJKSA-N 2 1 341.499 3.377 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000273195127 456210464 /nfs/dbraw/zinc/21/04/64/456210464.db2.gz IULHXVUWMIIFFM-HOTGVXAUSA-N 2 1 347.503 3.185 20 0 EGADMP c1csc(C[N@H+]2CCC[C@@H](CNc3[nH+]cnc4[nH]ccc43)C2)c1 ZINC000263790297 456223977 /nfs/dbraw/zinc/22/39/77/456223977.db2.gz NIYGEIMHBCVLIU-ZDUSSCGKSA-N 2 1 327.457 3.344 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@@H](CNc3[nH+]cnc4[nH]ccc43)C2)c1 ZINC000263790297 456223982 /nfs/dbraw/zinc/22/39/82/456223982.db2.gz NIYGEIMHBCVLIU-ZDUSSCGKSA-N 2 1 327.457 3.344 20 0 EGADMP C[N@@H+](CCC[NH2+]C1CCN(CC(F)(F)F)CC1)Cc1ccccc1 ZINC000237077473 456229061 /nfs/dbraw/zinc/22/90/61/456229061.db2.gz WPUUFBCMBLAULF-UHFFFAOYSA-N 2 1 343.437 3.125 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000237152813 456238644 /nfs/dbraw/zinc/23/86/44/456238644.db2.gz BUUPZTSBNCSODH-QFBILLFUSA-N 2 1 343.515 3.195 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189148990 456239859 /nfs/dbraw/zinc/23/98/59/456239859.db2.gz ZNIPHEZWIWOFAS-FCHUYYIVSA-N 2 1 343.559 3.261 20 0 EGADMP CCOc1cc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc(Cl)c1O ZINC000297649502 456270088 /nfs/dbraw/zinc/27/00/88/456270088.db2.gz IWPJDLMAXLWYEW-CYBMUJFWSA-N 2 1 326.868 3.218 20 0 EGADMP CCOc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc(Cl)c1O ZINC000297649502 456270090 /nfs/dbraw/zinc/27/00/90/456270090.db2.gz IWPJDLMAXLWYEW-CYBMUJFWSA-N 2 1 326.868 3.218 20 0 EGADMP CCOc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc(Cl)c1O ZINC000297649502 456270095 /nfs/dbraw/zinc/27/00/95/456270095.db2.gz IWPJDLMAXLWYEW-CYBMUJFWSA-N 2 1 326.868 3.218 20 0 EGADMP CCOc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc(Cl)c1O ZINC000297649502 456270098 /nfs/dbraw/zinc/27/00/98/456270098.db2.gz IWPJDLMAXLWYEW-CYBMUJFWSA-N 2 1 326.868 3.218 20 0 EGADMP CCOc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc(Cl)c1O ZINC000297649502 456270101 /nfs/dbraw/zinc/27/01/01/456270101.db2.gz IWPJDLMAXLWYEW-CYBMUJFWSA-N 2 1 326.868 3.218 20 0 EGADMP CC(C)c1nccc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)n1 ZINC000302053303 456276613 /nfs/dbraw/zinc/27/66/13/456276613.db2.gz PGFNILFSQNLKHI-SFHVURJKSA-N 2 1 340.471 3.169 20 0 EGADMP CC(C)[N@H+](C)Cc1cccc(CNCc2ncc(C[NH+](C)C)s2)c1 ZINC000352761363 456282990 /nfs/dbraw/zinc/28/29/90/456282990.db2.gz WQRUKXLEIKBBBX-UHFFFAOYSA-N 2 1 346.544 3.335 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNCc2ncc(C[NH+](C)C)s2)c1 ZINC000352761363 456282994 /nfs/dbraw/zinc/28/29/94/456282994.db2.gz WQRUKXLEIKBBBX-UHFFFAOYSA-N 2 1 346.544 3.335 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3csc(-c4ccccn4)n3)C2)CC1 ZINC000290328815 456293699 /nfs/dbraw/zinc/29/36/99/456293699.db2.gz DOLWUIDXZNIUPS-INIZCTEOSA-N 2 1 342.512 3.369 20 0 EGADMP C[NH+](C)Cc1cnc(CNCc2csc(Br)c2)s1 ZINC000352781223 456299414 /nfs/dbraw/zinc/29/94/14/456299414.db2.gz SILNVRHWNDFAQS-UHFFFAOYSA-N 2 1 346.319 3.319 20 0 EGADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000352820815 456335665 /nfs/dbraw/zinc/33/56/65/456335665.db2.gz ZPYPTSXODPTASY-BBRMVZONSA-N 2 1 331.287 3.491 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000352820815 456335669 /nfs/dbraw/zinc/33/56/69/456335669.db2.gz ZPYPTSXODPTASY-BBRMVZONSA-N 2 1 331.287 3.491 20 0 EGADMP CC(C)OC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337327289 456347029 /nfs/dbraw/zinc/34/70/29/456347029.db2.gz DBAFNQNFSKSQSD-OKZBNKHCSA-N 2 1 334.504 3.199 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]c3nccnc23)C1 ZINC000290505738 456347444 /nfs/dbraw/zinc/34/74/44/456347444.db2.gz SSPANVSSJQZNGR-HZPDHXFCSA-N 2 1 327.476 3.044 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]c3nccnc23)C1 ZINC000290505738 456347446 /nfs/dbraw/zinc/34/74/46/456347446.db2.gz SSPANVSSJQZNGR-HZPDHXFCSA-N 2 1 327.476 3.044 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2c[nH]c3nccnc23)C1 ZINC000290505738 456347451 /nfs/dbraw/zinc/34/74/51/456347451.db2.gz SSPANVSSJQZNGR-HZPDHXFCSA-N 2 1 327.476 3.044 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2c[nH]c3nccnc23)C1 ZINC000290505738 456347455 /nfs/dbraw/zinc/34/74/55/456347455.db2.gz SSPANVSSJQZNGR-HZPDHXFCSA-N 2 1 327.476 3.044 20 0 EGADMP COc1cc2[nH+]ccc(N(C)C[C@@H]3CCC[N@@H+](C)C3)c2cc1OC ZINC000298201283 456388987 /nfs/dbraw/zinc/38/89/87/456388987.db2.gz IFZNVQQAPBHSRS-CQSZACIVSA-N 2 1 329.444 3.030 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000298233383 456399109 /nfs/dbraw/zinc/39/91/09/456399109.db2.gz BMJZJJLGLKQWEO-UHFFFAOYSA-N 2 1 329.532 3.114 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2c(c1)OCCO2 ZINC000298242599 456402236 /nfs/dbraw/zinc/40/22/36/456402236.db2.gz CLFGHKMVBOEMJT-FQEVSTJZSA-N 2 1 330.472 3.371 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)[C@]12CCCO2 ZINC000340353504 456409396 /nfs/dbraw/zinc/40/93/96/456409396.db2.gz MLEVQJVTZXGIBY-XDWAVFMPSA-N 2 1 344.499 3.138 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)[C@]12CCCO2 ZINC000340353504 456409401 /nfs/dbraw/zinc/40/94/01/456409401.db2.gz MLEVQJVTZXGIBY-XDWAVFMPSA-N 2 1 344.499 3.138 20 0 EGADMP C[N@H+]1CC[C@H](NC2CC([NH+]3CCCCC3)C2)C[C@H]1c1ccccc1 ZINC000340375980 456423310 /nfs/dbraw/zinc/42/33/10/456423310.db2.gz VCDCETLULIVDLA-HAMDTZRPSA-N 2 1 327.516 3.428 20 0 EGADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)s1 ZINC000282139738 456423398 /nfs/dbraw/zinc/42/33/98/456423398.db2.gz CAFUPFFBIGMJBP-ZDUSSCGKSA-N 2 1 329.941 3.468 20 0 EGADMP C[C@H](c1cccc(NC2CC[NH+](C3CC3)CC2)c1)[NH+]1CCOCC1 ZINC000298320953 456423787 /nfs/dbraw/zinc/42/37/87/456423787.db2.gz IHZVTSJHOLFSDS-MRXNPFEDSA-N 2 1 329.488 3.119 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340378682 456425173 /nfs/dbraw/zinc/42/51/73/456425173.db2.gz FRWRTSMBAPMTDM-YDZRNGNQSA-N 2 1 330.472 3.143 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340378682 456425177 /nfs/dbraw/zinc/42/51/77/456425177.db2.gz FRWRTSMBAPMTDM-YDZRNGNQSA-N 2 1 330.472 3.143 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(Cl)c3cccnc23)CC1(C)C ZINC000282238445 456451001 /nfs/dbraw/zinc/45/10/01/456451001.db2.gz FWUPRKZRHCLHAA-UHFFFAOYSA-N 2 1 346.906 3.004 20 0 EGADMP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298487768 456470729 /nfs/dbraw/zinc/47/07/29/456470729.db2.gz PVMZKQOPCWJSIM-OAHLLOKOSA-N 2 1 329.488 3.388 20 0 EGADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000343256733 456487280 /nfs/dbraw/zinc/48/72/80/456487280.db2.gz PXAYVWRVNNNWGM-NQIIRXRSSA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000343256733 456487286 /nfs/dbraw/zinc/48/72/86/456487286.db2.gz PXAYVWRVNNNWGM-NQIIRXRSSA-N 2 1 329.532 3.348 20 0 EGADMP CC(C)CCn1cccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000305128148 456528825 /nfs/dbraw/zinc/52/88/25/456528825.db2.gz JAKALDYKTRIPTB-NHCUHLMSSA-N 2 1 347.547 3.392 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000305147326 456531855 /nfs/dbraw/zinc/53/18/55/456531855.db2.gz JQGQTCMLTRKFFZ-DOTOQJQBSA-N 2 1 339.524 3.238 20 0 EGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282513929 456537479 /nfs/dbraw/zinc/53/74/79/456537479.db2.gz ZEGPXWXLDSJNRA-QGZVFWFLSA-N 2 1 333.520 3.150 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000305505251 456546654 /nfs/dbraw/zinc/54/66/54/456546654.db2.gz YNMOVLIZNZIGHO-ALOPSCKCSA-N 2 1 339.524 3.237 20 0 EGADMP CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308400922 456571480 /nfs/dbraw/zinc/57/14/80/456571480.db2.gz WOBONACKABIEFA-RSPOEFSDSA-N 2 1 328.500 3.444 20 0 EGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CCC(F)(F)CC1 ZINC000353239603 456579813 /nfs/dbraw/zinc/57/98/13/456579813.db2.gz XAEAMRQTZPVKFQ-HNNXBMFYSA-N 2 1 331.495 3.064 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000291267624 456586121 /nfs/dbraw/zinc/58/61/21/456586121.db2.gz XPZDYRIYUJSZRW-HZPDHXFCSA-N 2 1 330.394 3.155 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000291267624 456586124 /nfs/dbraw/zinc/58/61/24/456586124.db2.gz XPZDYRIYUJSZRW-HZPDHXFCSA-N 2 1 330.394 3.155 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Oc2ccccc2)nn1 ZINC000348273083 456587961 /nfs/dbraw/zinc/58/79/61/456587961.db2.gz SBPBPWITZXNWND-UHFFFAOYSA-N 2 1 337.427 3.296 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Oc2ccccc2)nn1 ZINC000348273083 456587965 /nfs/dbraw/zinc/58/79/65/456587965.db2.gz SBPBPWITZXNWND-UHFFFAOYSA-N 2 1 337.427 3.296 20 0 EGADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000353252560 456588808 /nfs/dbraw/zinc/58/88/08/456588808.db2.gz JESJLBWNPYHPKI-QGZVFWFLSA-N 2 1 339.483 3.026 20 0 EGADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000353252560 456588812 /nfs/dbraw/zinc/58/88/12/456588812.db2.gz JESJLBWNPYHPKI-QGZVFWFLSA-N 2 1 339.483 3.026 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000348274809 456590217 /nfs/dbraw/zinc/59/02/17/456590217.db2.gz WGTDVAMWYYVRJV-QGZVFWFLSA-N 2 1 330.472 3.301 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)s2)cn1 ZINC000282744825 456612265 /nfs/dbraw/zinc/61/22/65/456612265.db2.gz GFRAOYYPOMVJBG-PBHICJAKSA-N 2 1 330.501 3.065 20 0 EGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)s2)cn1 ZINC000282744825 456612274 /nfs/dbraw/zinc/61/22/74/456612274.db2.gz GFRAOYYPOMVJBG-PBHICJAKSA-N 2 1 330.501 3.065 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c(O)c(OCC)c2)C1 ZINC000299165926 456625023 /nfs/dbraw/zinc/62/50/23/456625023.db2.gz OPOBWKKHJXUKJX-ZDUSSCGKSA-N 2 1 326.868 3.266 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c(O)c(OCC)c2)C1 ZINC000299165926 456625027 /nfs/dbraw/zinc/62/50/27/456625027.db2.gz OPOBWKKHJXUKJX-ZDUSSCGKSA-N 2 1 326.868 3.266 20 0 EGADMP C[C@@H](C[NH2+]Cc1ccccc1OCc1ccncc1)C[NH+]1CCCC1 ZINC000338155531 456670101 /nfs/dbraw/zinc/67/01/01/456670101.db2.gz JKTWAWHADCCULC-SFHVURJKSA-N 2 1 339.483 3.482 20 0 EGADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000343522823 456680786 /nfs/dbraw/zinc/68/07/86/456680786.db2.gz KLLQRRPVZCDBJK-FXAWDEMLSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000343522823 456680794 /nfs/dbraw/zinc/68/07/94/456680794.db2.gz KLLQRRPVZCDBJK-FXAWDEMLSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000343522823 456680800 /nfs/dbraw/zinc/68/08/00/456680800.db2.gz KLLQRRPVZCDBJK-FXAWDEMLSA-N 2 1 343.515 3.030 20 0 EGADMP Cc1noc(C[C@@H]([NH2+]CCC[NH+]2CCCCC2)c2ccccc2)n1 ZINC000277142699 456695818 /nfs/dbraw/zinc/69/58/18/456695818.db2.gz JCKKSYKDMUEMBM-GOSISDBHSA-N 2 1 328.460 3.127 20 0 EGADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000353495851 456714769 /nfs/dbraw/zinc/71/47/69/456714769.db2.gz KBIBFLSEHZFEHD-GOEBONIOSA-N 2 1 346.393 3.083 20 0 EGADMP CCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](CC)c1ccccc1 ZINC000338231722 456721388 /nfs/dbraw/zinc/72/13/88/456721388.db2.gz DNULDVBNFCHPJA-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP CCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](CC)c1ccccc1 ZINC000338231722 456721391 /nfs/dbraw/zinc/72/13/91/456721391.db2.gz DNULDVBNFCHPJA-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP Nc1ncnc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1Cl ZINC000277281176 456757837 /nfs/dbraw/zinc/75/78/37/456757837.db2.gz AXSOTUPNZNXBQC-LLVKDONJSA-N 2 1 337.880 3.098 20 0 EGADMP C[C@H]1C[N@H+]([C@@H]2CCCc3ccc(F)cc32)CCN1C1CC[NH+](C)CC1 ZINC000343692108 456767759 /nfs/dbraw/zinc/76/77/59/456767759.db2.gz AQWYUPLXAKAJOG-HRAATJIYSA-N 2 1 345.506 3.303 20 0 EGADMP C[C@@H](c1ccc(F)cc1F)N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343771662 456772787 /nfs/dbraw/zinc/77/27/87/456772787.db2.gz RGGBMGAIEPYELD-CABCVRRESA-N 2 1 337.458 3.126 20 0 EGADMP C[C@@H](c1ccc(F)cc1F)N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343771662 456772793 /nfs/dbraw/zinc/77/27/93/456772793.db2.gz RGGBMGAIEPYELD-CABCVRRESA-N 2 1 337.458 3.126 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277353126 456790603 /nfs/dbraw/zinc/79/06/03/456790603.db2.gz WSOFGGNBHHXAHH-OAHLLOKOSA-N 2 1 335.517 3.153 20 0 EGADMP C[C@H]1CCC[C@](CNC2CC[NH+](Cc3ccccn3)CC2)([NH+](C)C)C1 ZINC000341512398 456872203 /nfs/dbraw/zinc/87/22/03/456872203.db2.gz SHXHJQJMYZDLKO-RXVVDRJESA-N 2 1 344.547 3.146 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000292198929 456882948 /nfs/dbraw/zinc/88/29/48/456882948.db2.gz YCSCCHMKHFDAQL-AEFFLSMTSA-N 2 1 329.488 3.389 20 0 EGADMP C[C@]12CCCN1C[C@@H](c1noc([C@@H]3CCC[N@H+]3C3CCCC3)n1)OC2 ZINC000329574089 456910326 /nfs/dbraw/zinc/91/03/26/456910326.db2.gz JOWMFONNRSMGAT-TXPKVOOTSA-N 2 1 346.475 3.075 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccccc3)C[C@@H]2OC)CC1 ZINC000353819138 456921868 /nfs/dbraw/zinc/92/18/68/456921868.db2.gz PZVDPRIBQDJQCJ-TYPHKJRUSA-N 2 1 346.515 3.038 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2cccc(C)n2)[C@@H](C)C1 ZINC000353864820 456941701 /nfs/dbraw/zinc/94/17/01/456941701.db2.gz JXGZOWJNYZWKMV-FXAWDEMLSA-N 2 1 333.520 3.049 20 0 EGADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1[nH+]cnc2[nH]ccc21 ZINC000339135726 456958404 /nfs/dbraw/zinc/95/84/04/456958404.db2.gz JZZXIOHCUZESBU-HNNXBMFYSA-N 2 1 335.455 3.366 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1[nH+]cnc2[nH]ccc21 ZINC000339135726 456958407 /nfs/dbraw/zinc/95/84/07/456958407.db2.gz JZZXIOHCUZESBU-HNNXBMFYSA-N 2 1 335.455 3.366 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000354077428 457047265 /nfs/dbraw/zinc/04/72/65/457047265.db2.gz DJFJAUUDDOJBRO-QGZVFWFLSA-N 2 1 340.895 3.281 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000354077428 457047269 /nfs/dbraw/zinc/04/72/69/457047269.db2.gz DJFJAUUDDOJBRO-QGZVFWFLSA-N 2 1 340.895 3.281 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCc2ccncc2)C1 ZINC000354099204 457062128 /nfs/dbraw/zinc/06/21/28/457062128.db2.gz BXXHLRIOOXGKJH-LJQANCHMSA-N 2 1 339.483 3.434 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCc2ccncc2)C1 ZINC000354099204 457062133 /nfs/dbraw/zinc/06/21/33/457062133.db2.gz BXXHLRIOOXGKJH-LJQANCHMSA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OCc2ccncc2)C1 ZINC000354099204 457062139 /nfs/dbraw/zinc/06/21/39/457062139.db2.gz BXXHLRIOOXGKJH-LJQANCHMSA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccncc2)C1 ZINC000354099204 457062143 /nfs/dbraw/zinc/06/21/43/457062143.db2.gz BXXHLRIOOXGKJH-LJQANCHMSA-N 2 1 339.483 3.434 20 0 EGADMP CC(C)OCC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000349909705 457103662 /nfs/dbraw/zinc/10/36/62/457103662.db2.gz LJLQHKCPTJJKEF-TYPHKJRUSA-N 2 1 348.531 3.147 20 0 EGADMP CC(C)OCC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000349909705 457103669 /nfs/dbraw/zinc/10/36/69/457103669.db2.gz LJLQHKCPTJJKEF-TYPHKJRUSA-N 2 1 348.531 3.147 20 0 EGADMP CC(C)OCC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000349909705 457103675 /nfs/dbraw/zinc/10/36/75/457103675.db2.gz LJLQHKCPTJJKEF-TYPHKJRUSA-N 2 1 348.531 3.147 20 0 EGADMP CC(C)OCC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000349909705 457103682 /nfs/dbraw/zinc/10/36/82/457103682.db2.gz LJLQHKCPTJJKEF-TYPHKJRUSA-N 2 1 348.531 3.147 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000354166824 457104509 /nfs/dbraw/zinc/10/45/09/457104509.db2.gz NAVLXGRYXPLUHQ-OAQYLSRUSA-N 2 1 338.499 3.407 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000354166824 457104510 /nfs/dbraw/zinc/10/45/10/457104510.db2.gz NAVLXGRYXPLUHQ-OAQYLSRUSA-N 2 1 338.499 3.407 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354166824 457104511 /nfs/dbraw/zinc/10/45/11/457104511.db2.gz NAVLXGRYXPLUHQ-OAQYLSRUSA-N 2 1 338.499 3.407 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354166824 457104512 /nfs/dbraw/zinc/10/45/12/457104512.db2.gz NAVLXGRYXPLUHQ-OAQYLSRUSA-N 2 1 338.499 3.407 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(-c2cccs2)n1 ZINC000354175170 457109997 /nfs/dbraw/zinc/10/99/97/457109997.db2.gz FGGHKSPGHHVGET-GOSISDBHSA-N 2 1 330.501 3.066 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(-c2cccs2)n1 ZINC000354175170 457110002 /nfs/dbraw/zinc/11/00/02/457110002.db2.gz FGGHKSPGHHVGET-GOSISDBHSA-N 2 1 330.501 3.066 20 0 EGADMP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(-c2cccs2)n1 ZINC000354175170 457110006 /nfs/dbraw/zinc/11/00/06/457110006.db2.gz FGGHKSPGHHVGET-GOSISDBHSA-N 2 1 330.501 3.066 20 0 EGADMP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(-c2cccs2)n1 ZINC000354175170 457110011 /nfs/dbraw/zinc/11/00/11/457110011.db2.gz FGGHKSPGHHVGET-GOSISDBHSA-N 2 1 330.501 3.066 20 0 EGADMP Cc1ccccc1Cc1nnc(CN2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000362828329 457111629 /nfs/dbraw/zinc/11/16/29/457111629.db2.gz DVWISNHYFWYRKM-INIZCTEOSA-N 2 1 337.427 3.072 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342117621 457117904 /nfs/dbraw/zinc/11/79/04/457117904.db2.gz GOLDWIAYGIEGPB-WQANXHIZSA-N 2 1 343.515 3.198 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342117621 457117908 /nfs/dbraw/zinc/11/79/08/457117908.db2.gz GOLDWIAYGIEGPB-WQANXHIZSA-N 2 1 343.515 3.198 20 0 EGADMP Cc1nc2c(s1)[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CCC2 ZINC000331403334 457179152 /nfs/dbraw/zinc/17/91/52/457179152.db2.gz MUQQIHPXLFFTDU-ZIAGYGMSSA-N 2 1 336.505 3.056 20 0 EGADMP Cc1nc2c(s1)[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)CCC2 ZINC000331403334 457179159 /nfs/dbraw/zinc/17/91/59/457179159.db2.gz MUQQIHPXLFFTDU-ZIAGYGMSSA-N 2 1 336.505 3.056 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)sc1Br ZINC000346852800 457184964 /nfs/dbraw/zinc/18/49/64/457184964.db2.gz LHFCNPRTFMEXKQ-WCFLWFBJSA-N 2 1 329.307 3.378 20 0 EGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)sc1Br ZINC000346852800 457184968 /nfs/dbraw/zinc/18/49/68/457184968.db2.gz LHFCNPRTFMEXKQ-WCFLWFBJSA-N 2 1 329.307 3.378 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1CNc1nc(C)[nH+]c(C)c1C ZINC000354379905 457187733 /nfs/dbraw/zinc/18/77/33/457187733.db2.gz HKVSVEDXVKYFCD-UHFFFAOYSA-N 2 1 342.487 3.156 20 0 EGADMP C[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC000356886055 457198808 /nfs/dbraw/zinc/19/88/08/457198808.db2.gz XKOXYMAKIQHAJJ-HNNXBMFYSA-N 2 1 335.458 3.113 20 0 EGADMP CC(C)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C(C)C ZINC000354412513 457205536 /nfs/dbraw/zinc/20/55/36/457205536.db2.gz BSXKDWGSFFPYRP-IBGZPJMESA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)C(C)C ZINC000354412513 457205542 /nfs/dbraw/zinc/20/55/42/457205542.db2.gz BSXKDWGSFFPYRP-IBGZPJMESA-N 2 1 349.494 3.025 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000347124114 457242024 /nfs/dbraw/zinc/24/20/24/457242024.db2.gz IWRQHYKXQOTDIY-GOSISDBHSA-N 2 1 349.906 3.415 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000347124114 457242028 /nfs/dbraw/zinc/24/20/28/457242028.db2.gz IWRQHYKXQOTDIY-GOSISDBHSA-N 2 1 349.906 3.415 20 0 EGADMP C[N@H+](Cc1ccccc1OCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347144099 457254855 /nfs/dbraw/zinc/25/48/55/457254855.db2.gz XIUAECPAAXYWPQ-YIONKMFJSA-N 2 1 328.378 3.343 20 0 EGADMP C[N@@H+](Cc1ccccc1OCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347144099 457254861 /nfs/dbraw/zinc/25/48/61/457254861.db2.gz XIUAECPAAXYWPQ-YIONKMFJSA-N 2 1 328.378 3.343 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC000354494479 457256546 /nfs/dbraw/zinc/25/65/46/457256546.db2.gz GEAUZTITBUJGOX-UMGGQSCQSA-N 2 1 346.515 3.464 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357039264 457293321 /nfs/dbraw/zinc/29/33/21/457293321.db2.gz NMTBYSHPSPJQLX-LJQANCHMSA-N 2 1 342.483 3.421 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357039264 457293327 /nfs/dbraw/zinc/29/33/27/457293327.db2.gz NMTBYSHPSPJQLX-LJQANCHMSA-N 2 1 342.483 3.421 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357039264 457293332 /nfs/dbraw/zinc/29/33/32/457293332.db2.gz NMTBYSHPSPJQLX-LJQANCHMSA-N 2 1 342.483 3.421 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357039264 457293342 /nfs/dbraw/zinc/29/33/42/457293342.db2.gz NMTBYSHPSPJQLX-LJQANCHMSA-N 2 1 342.483 3.421 20 0 EGADMP C[NH+](C)CC1(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)CCCC1 ZINC000354645929 457294760 /nfs/dbraw/zinc/29/47/60/457294760.db2.gz JMBONTBRLBTIDG-UHFFFAOYSA-N 2 1 330.451 3.223 20 0 EGADMP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357083968 457312724 /nfs/dbraw/zinc/31/27/24/457312724.db2.gz JBCBHMQVNRNABM-QAPCUYQASA-N 2 1 340.471 3.043 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000378104369 457374872 /nfs/dbraw/zinc/37/48/72/457374872.db2.gz RLWKHDMKSLGUQM-GOSISDBHSA-N 2 1 326.488 3.015 20 0 EGADMP Cc1cccc(-c2noc(C[N@H+](CCC[NH3+])CC3CCCC3)n2)c1 ZINC000352503775 457421841 /nfs/dbraw/zinc/42/18/41/457421841.db2.gz JXXFKJSTSJPNSL-UHFFFAOYSA-N 2 1 328.460 3.386 20 0 EGADMP Cc1cccc(-c2noc(C[N@@H+](CCC[NH3+])CC3CCCC3)n2)c1 ZINC000352503775 457421847 /nfs/dbraw/zinc/42/18/47/457421847.db2.gz JXXFKJSTSJPNSL-UHFFFAOYSA-N 2 1 328.460 3.386 20 0 EGADMP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1cccc2ccccc21 ZINC000352507829 457426917 /nfs/dbraw/zinc/42/69/17/457426917.db2.gz DHHZYTZNALQZIJ-SJLPKXTDSA-N 2 1 339.483 3.220 20 0 EGADMP C[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1cccc2ccccc21 ZINC000352507829 457426919 /nfs/dbraw/zinc/42/69/19/457426919.db2.gz DHHZYTZNALQZIJ-SJLPKXTDSA-N 2 1 339.483 3.220 20 0 EGADMP c1cncc(COc2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2)c1 ZINC000352535018 457446365 /nfs/dbraw/zinc/44/63/65/457446365.db2.gz LHNRWGMZWFYRRP-OAQYLSRUSA-N 2 1 337.467 3.236 20 0 EGADMP c1cncc(COc2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2)c1 ZINC000352535018 457446368 /nfs/dbraw/zinc/44/63/68/457446368.db2.gz LHNRWGMZWFYRRP-OAQYLSRUSA-N 2 1 337.467 3.236 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnc(C(C)(C)C)nc2)[C@H](C)C1 ZINC000342730032 457485492 /nfs/dbraw/zinc/48/54/92/457485492.db2.gz PGMVWILFPPXIHO-AEFFLSMTSA-N 2 1 348.535 3.001 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnc(C(C)(C)C)nc2)[C@H](C)C1 ZINC000342730032 457485500 /nfs/dbraw/zinc/48/55/00/457485500.db2.gz PGMVWILFPPXIHO-AEFFLSMTSA-N 2 1 348.535 3.001 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCCCCNC(=O)OCc2ccccc2)CC[N@H+]1C ZINC000397918070 457492262 /nfs/dbraw/zinc/49/22/62/457492262.db2.gz JJNSHYOGJWQSGY-HKUYNNGSSA-N 2 1 347.503 3.155 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000357409136 457504375 /nfs/dbraw/zinc/50/43/75/457504375.db2.gz HOPOBWRZZVGGJN-QFBILLFUSA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000357409136 457504387 /nfs/dbraw/zinc/50/43/87/457504387.db2.gz HOPOBWRZZVGGJN-QFBILLFUSA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000357409136 457504395 /nfs/dbraw/zinc/50/43/95/457504395.db2.gz HOPOBWRZZVGGJN-QFBILLFUSA-N 2 1 331.504 3.131 20 0 EGADMP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374171193 457508284 /nfs/dbraw/zinc/50/82/84/457508284.db2.gz ISJNNJQUSYAOFU-HNNXBMFYSA-N 2 1 340.471 3.204 20 0 EGADMP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374171193 457508291 /nfs/dbraw/zinc/50/82/91/457508291.db2.gz ISJNNJQUSYAOFU-HNNXBMFYSA-N 2 1 340.471 3.204 20 0 EGADMP Cc1cccc(CC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000399698977 457509719 /nfs/dbraw/zinc/50/97/19/457509719.db2.gz AYEHGAOTPDUMCQ-SFTDATJTSA-N 2 1 335.495 3.386 20 0 EGADMP Cc1cccc(CC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000399698977 457509731 /nfs/dbraw/zinc/50/97/31/457509731.db2.gz AYEHGAOTPDUMCQ-SFTDATJTSA-N 2 1 335.495 3.386 20 0 EGADMP Cc1cccc(CC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000399698977 457509739 /nfs/dbraw/zinc/50/97/39/457509739.db2.gz AYEHGAOTPDUMCQ-SFTDATJTSA-N 2 1 335.495 3.386 20 0 EGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc(Br)ccc1F ZINC000401721073 457530539 /nfs/dbraw/zinc/53/05/39/457530539.db2.gz BATKDKCZXXZTPA-SNVBAGLBSA-N 2 1 326.213 3.215 20 0 EGADMP CO[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)C1CC1 ZINC000425409156 457541064 /nfs/dbraw/zinc/54/10/64/457541064.db2.gz ABNFKUXODNSRIZ-PWRODBHTSA-N 2 1 328.500 3.398 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C/C=C\c2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000352756190 457584719 /nfs/dbraw/zinc/58/47/19/457584719.db2.gz OXGNBBUSTJTDAQ-HNXFAEETSA-N 2 1 338.442 3.457 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cnn(C)c1 ZINC000370329126 457621083 /nfs/dbraw/zinc/62/10/83/457621083.db2.gz ZLOJNWOHIJUJRU-AGKXRFJRSA-N 2 1 338.499 3.371 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000361173385 457629075 /nfs/dbraw/zinc/62/90/75/457629075.db2.gz GRVVUXSMDITDJV-VQIMIIECSA-N 2 1 331.504 3.048 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]3(C)CCCC[NH2+]3)cc2)C1 ZINC000357784916 457688487 /nfs/dbraw/zinc/68/84/87/457688487.db2.gz AOEKUMVNKFQYOF-JXFKEZNVSA-N 2 1 329.488 3.389 20 0 EGADMP CC(C)(C[NH2+][C@@H](Cc1ccccn1)c1cccnc1)C[NH+]1CCCC1 ZINC000357857617 457714514 /nfs/dbraw/zinc/71/45/14/457714514.db2.gz VBGJETJVLRMFAQ-FQEVSTJZSA-N 2 1 338.499 3.472 20 0 EGADMP Cc1csc(N2CCC([NH2+][C@@H](C)C[NH+]3CCCCCC3)CC2)n1 ZINC000361456223 457737984 /nfs/dbraw/zinc/73/79/84/457737984.db2.gz JAOHYMRIUBCFAW-HNNXBMFYSA-N 2 1 336.549 3.274 20 0 EGADMP CCC[C@H](C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000374990937 457747008 /nfs/dbraw/zinc/74/70/08/457747008.db2.gz OVMLMKUCAHOTSY-RTWAWAEBSA-N 2 1 329.532 3.282 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000358086790 457777209 /nfs/dbraw/zinc/77/72/09/457777209.db2.gz OTYYILRXMDOXHJ-IOASZLSFSA-N 2 1 338.879 3.320 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000358086790 457777213 /nfs/dbraw/zinc/77/72/13/457777213.db2.gz OTYYILRXMDOXHJ-IOASZLSFSA-N 2 1 338.879 3.320 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000358086116 457777551 /nfs/dbraw/zinc/77/75/51/457777551.db2.gz OEXNSGGLQFVEGY-GJZGRUSLSA-N 2 1 338.459 3.068 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCCC[C@H]1C ZINC000361542135 457782039 /nfs/dbraw/zinc/78/20/39/457782039.db2.gz WQHPXWQGIYWLHN-SQNIBIBYSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000361542135 457782046 /nfs/dbraw/zinc/78/20/46/457782046.db2.gz WQHPXWQGIYWLHN-SQNIBIBYSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000361542135 457782053 /nfs/dbraw/zinc/78/20/53/457782053.db2.gz WQHPXWQGIYWLHN-SQNIBIBYSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ncco4)cc3F)CC[C@@H]21 ZINC000411328292 457857428 /nfs/dbraw/zinc/85/74/28/457857428.db2.gz PKYDASSDFOLDOW-AEFFLSMTSA-N 2 1 329.419 3.397 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ncco4)cc3F)CC[C@@H]21 ZINC000411328292 457857434 /nfs/dbraw/zinc/85/74/34/457857434.db2.gz PKYDASSDFOLDOW-AEFFLSMTSA-N 2 1 329.419 3.397 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ncco4)cc3F)CC[C@@H]21 ZINC000411328292 457857438 /nfs/dbraw/zinc/85/74/38/457857438.db2.gz PKYDASSDFOLDOW-AEFFLSMTSA-N 2 1 329.419 3.397 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4ncco4)cc3F)CC[C@@H]21 ZINC000411328292 457857443 /nfs/dbraw/zinc/85/74/43/457857443.db2.gz PKYDASSDFOLDOW-AEFFLSMTSA-N 2 1 329.419 3.397 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C(C)C)C(C)C)C[C@H]1C ZINC000361791513 457862042 /nfs/dbraw/zinc/86/20/42/457862042.db2.gz ZTOJQFDHJUIDSU-QZTJIDSGSA-N 2 1 340.556 3.010 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000371325420 457866893 /nfs/dbraw/zinc/86/68/93/457866893.db2.gz FKPKYTUAFGMUFR-OAQYLSRUSA-N 3 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000371325420 457866899 /nfs/dbraw/zinc/86/68/99/457866899.db2.gz FKPKYTUAFGMUFR-OAQYLSRUSA-N 3 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000371325420 457866903 /nfs/dbraw/zinc/86/69/03/457866903.db2.gz FKPKYTUAFGMUFR-OAQYLSRUSA-N 2 1 341.543 3.459 20 0 EGADMP C[N@@H+]1CCC[C@@H]1CCN1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000371325420 457866910 /nfs/dbraw/zinc/86/69/10/457866910.db2.gz FKPKYTUAFGMUFR-OAQYLSRUSA-N 2 1 341.543 3.459 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCN1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000371325420 457866914 /nfs/dbraw/zinc/86/69/14/457866914.db2.gz FKPKYTUAFGMUFR-OAQYLSRUSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000371325420 457866920 /nfs/dbraw/zinc/86/69/20/457866920.db2.gz FKPKYTUAFGMUFR-OAQYLSRUSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000371325420 457866929 /nfs/dbraw/zinc/86/69/29/457866929.db2.gz FKPKYTUAFGMUFR-OAQYLSRUSA-N 2 1 341.543 3.459 20 0 EGADMP CC[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1nccn1C ZINC000375309968 457875661 /nfs/dbraw/zinc/87/56/61/457875661.db2.gz OJCRVAKIVLIFEA-LJQANCHMSA-N 2 1 342.487 3.134 20 0 EGADMP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000375429062 457928309 /nfs/dbraw/zinc/92/83/09/457928309.db2.gz WNCLXXOIASADOM-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1C ZINC000411626368 457931928 /nfs/dbraw/zinc/93/19/28/457931928.db2.gz ZQVHMIQQJXPYIS-YLJYHZDGSA-N 2 1 344.499 3.304 20 0 EGADMP CC[N@@H+]1C[C@@H](C)[C@H](NCc2cccc(COCC(F)(F)F)c2)C1 ZINC000358332370 457937525 /nfs/dbraw/zinc/93/75/25/457937525.db2.gz VZSTWZWPJGUYEG-CZUORRHYSA-N 2 1 330.394 3.195 20 0 EGADMP COCC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCO[C@@H]1C ZINC000411651995 457940236 /nfs/dbraw/zinc/94/02/36/457940236.db2.gz DBIIYKAXHQGKCE-WIYYLYMNSA-N 2 1 346.515 3.298 20 0 EGADMP Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)ccc1C[NH+](C)C ZINC000458297483 458005263 /nfs/dbraw/zinc/00/52/63/458005263.db2.gz YXZDFDYKDORHPQ-IBGZPJMESA-N 2 1 329.488 3.402 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCC34CCOCC4)CC2)nc(C)[nH+]1 ZINC000368519116 458042745 /nfs/dbraw/zinc/04/27/45/458042745.db2.gz OXTNZKXCWWKROL-GOSISDBHSA-N 2 1 344.503 3.001 20 0 EGADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000445411555 458046773 /nfs/dbraw/zinc/04/67/73/458046773.db2.gz KQGJVHOQWCWOOT-JBYIUTFZSA-N 2 1 341.543 3.194 20 0 EGADMP FC(F)(F)c1cccc(OCCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428045770 458070649 /nfs/dbraw/zinc/07/06/49/458070649.db2.gz RGAWKXCLZRYCDU-CZUORRHYSA-N 2 1 328.378 3.158 20 0 EGADMP CCc1nc(C)c(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000428306174 458117856 /nfs/dbraw/zinc/11/78/56/458117856.db2.gz OBPRNRZKQRWDFV-UHFFFAOYSA-N 2 1 328.460 3.289 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000435369406 458121222 /nfs/dbraw/zinc/12/12/22/458121222.db2.gz FDWUIUZXSGARBZ-YJYMSZOUSA-N 2 1 346.906 3.371 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000435369406 458121229 /nfs/dbraw/zinc/12/12/29/458121229.db2.gz FDWUIUZXSGARBZ-YJYMSZOUSA-N 2 1 346.906 3.371 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000435370020 458122977 /nfs/dbraw/zinc/12/29/77/458122977.db2.gz HIDQCQCKOSVZJN-IAGOWNOFSA-N 2 1 347.466 3.103 20 0 EGADMP C[C@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@@H]1[NH3+] ZINC000435374725 458125287 /nfs/dbraw/zinc/12/52/87/458125287.db2.gz JZBSDVZISKWOID-LPHOPBHVSA-N 2 1 340.515 3.398 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@@H]1[NH3+] ZINC000435374725 458125293 /nfs/dbraw/zinc/12/52/93/458125293.db2.gz JZBSDVZISKWOID-LPHOPBHVSA-N 2 1 340.515 3.398 20 0 EGADMP CC(C)O[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000428366810 458127910 /nfs/dbraw/zinc/12/79/10/458127910.db2.gz ZSJWIZZIVPSMRL-UWHLTILDSA-N 2 1 346.515 3.336 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000435379872 458128487 /nfs/dbraw/zinc/12/84/87/458128487.db2.gz KWQZBFRXPMHMRD-XLIONFOSSA-N 2 1 339.483 3.447 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[C@@H]1[NH3+] ZINC000435378831 458128503 /nfs/dbraw/zinc/12/85/03/458128503.db2.gz KDRPPIUIDOMYSL-UZLBHIALSA-N 2 1 347.466 3.103 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[C@@H]1[NH3+] ZINC000435378831 458128509 /nfs/dbraw/zinc/12/85/09/458128509.db2.gz KDRPPIUIDOMYSL-UZLBHIALSA-N 2 1 347.466 3.103 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000435379060 458128634 /nfs/dbraw/zinc/12/86/34/458128634.db2.gz ARKSIQGJGSZHQZ-JVPBZIDWSA-N 2 1 344.890 3.312 20 0 EGADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435384265 458130429 /nfs/dbraw/zinc/13/04/29/458130429.db2.gz LICRIDDXHUSQKU-QGZVFWFLSA-N 2 1 338.499 3.396 20 0 EGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435384265 458130436 /nfs/dbraw/zinc/13/04/36/458130436.db2.gz LICRIDDXHUSQKU-QGZVFWFLSA-N 2 1 338.499 3.396 20 0 EGADMP COc1c(Br)cccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000435382519 458130460 /nfs/dbraw/zinc/13/04/60/458130460.db2.gz DNQLKQSYAXCMRB-CORIIIEPSA-N 2 1 339.277 3.017 20 0 EGADMP COc1c(Br)cccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000435382519 458130465 /nfs/dbraw/zinc/13/04/65/458130465.db2.gz DNQLKQSYAXCMRB-CORIIIEPSA-N 2 1 339.277 3.017 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000435386136 458132939 /nfs/dbraw/zinc/13/29/39/458132939.db2.gz VIUDNFPBNXXYHG-KRWDZBQOSA-N 2 1 346.906 3.372 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)NCc1ccccc1 ZINC000358671724 458142632 /nfs/dbraw/zinc/14/26/32/458142632.db2.gz CXRQDHHRAJVUTE-KRWDZBQOSA-N 2 1 343.515 3.078 20 0 EGADMP COc1ccc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000358790482 458218053 /nfs/dbraw/zinc/21/80/53/458218053.db2.gz KZXFNWYFBHPNEK-IAGOWNOFSA-N 2 1 339.483 3.336 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428865267 458224442 /nfs/dbraw/zinc/22/44/42/458224442.db2.gz VUPIVRAMFXAMDX-UHFFFAOYSA-N 2 1 349.466 3.130 20 0 EGADMP COC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C1CCCC1 ZINC000446755745 458225837 /nfs/dbraw/zinc/22/58/37/458225837.db2.gz YOWZSUBSKQHOSU-LAUBAEHRSA-N 2 1 346.515 3.202 20 0 EGADMP COC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C1CCCC1 ZINC000446755745 458225841 /nfs/dbraw/zinc/22/58/41/458225841.db2.gz YOWZSUBSKQHOSU-LAUBAEHRSA-N 2 1 346.515 3.202 20 0 EGADMP Cc1cccc(NC[C@H]2CC[N@H+](CCCO[C@@H]3CCCCO3)C2)[nH+]1 ZINC000358831473 458245057 /nfs/dbraw/zinc/24/50/57/458245057.db2.gz PBCWZGJDKGTZKZ-IEBWSBKVSA-N 2 1 333.476 3.057 20 0 EGADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCCO[C@@H]3CCCCO3)C2)[nH+]1 ZINC000358831473 458245064 /nfs/dbraw/zinc/24/50/64/458245064.db2.gz PBCWZGJDKGTZKZ-IEBWSBKVSA-N 2 1 333.476 3.057 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCCCc3ccccc3)C2)CC1 ZINC000372338365 458282036 /nfs/dbraw/zinc/28/20/36/458282036.db2.gz QLNMXZAIJGCOOT-OAQYLSRUSA-N 2 1 329.532 3.110 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459425511 458367629 /nfs/dbraw/zinc/36/76/29/458367629.db2.gz KTGOYDVQUDVUIB-HXUWFJFHSA-N 3 1 330.520 3.295 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459425511 458367637 /nfs/dbraw/zinc/36/76/37/458367637.db2.gz KTGOYDVQUDVUIB-HXUWFJFHSA-N 3 1 330.520 3.295 20 0 EGADMP C[C@H]1CN(c2ccccc2C[NH2+]CC2(C[NH+](C)C)CCCC2)CCO1 ZINC000459486788 458388608 /nfs/dbraw/zinc/38/86/08/458388608.db2.gz WXAMWYIWEXHSAZ-SFHVURJKSA-N 2 1 345.531 3.123 20 0 EGADMP CC1CCC(O)(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000448124390 458391921 /nfs/dbraw/zinc/39/19/21/458391921.db2.gz XNQAWWDZXNBHND-CKHPTIKVSA-N 2 1 330.516 3.382 20 0 EGADMP CC1CCC(O)(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000448124390 458391922 /nfs/dbraw/zinc/39/19/22/458391922.db2.gz XNQAWWDZXNBHND-CKHPTIKVSA-N 2 1 330.516 3.382 20 0 EGADMP CC1CCC(O)(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000448124390 458391923 /nfs/dbraw/zinc/39/19/23/458391923.db2.gz XNQAWWDZXNBHND-CKHPTIKVSA-N 2 1 330.516 3.382 20 0 EGADMP OCC[C@@H](NC1CC[NH+](C2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000459570610 458414447 /nfs/dbraw/zinc/41/44/47/458414447.db2.gz DVFNFMJDCBPABL-QGZVFWFLSA-N 2 1 342.405 3.345 20 0 EGADMP OCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000459570610 458414451 /nfs/dbraw/zinc/41/44/51/458414451.db2.gz DVFNFMJDCBPABL-QGZVFWFLSA-N 2 1 342.405 3.345 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC[C@@H](C)c3ccccc3)C2)CC1 ZINC000373207032 458430300 /nfs/dbraw/zinc/43/03/00/458430300.db2.gz CATXFAQCSSTVOP-TZIWHRDSSA-N 2 1 329.532 3.281 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000423441813 458433535 /nfs/dbraw/zinc/43/35/35/458433535.db2.gz WGMRFQDKHSCAPM-OXJNMPFZSA-N 2 1 337.467 3.101 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000423441812 458433660 /nfs/dbraw/zinc/43/36/60/458433660.db2.gz WGMRFQDKHSCAPM-JXFKEZNVSA-N 2 1 337.467 3.101 20 0 EGADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000423442053 458433826 /nfs/dbraw/zinc/43/38/26/458433826.db2.gz UTLALLOLNPDJTJ-BULFRSBZSA-N 2 1 341.543 3.060 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CNCCN1C)c1ccc(SC2CCCC2)cc1 ZINC000423485431 458441513 /nfs/dbraw/zinc/44/15/13/458441513.db2.gz ARDQDSWIMDPFHC-NVXWUHKLSA-N 2 1 333.545 3.276 20 0 EGADMP [NH3+]C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CCCC1 ZINC000423510074 458447999 /nfs/dbraw/zinc/44/79/99/458447999.db2.gz RZFKBUCOAFAUPO-BURNTYAHSA-N 2 1 327.516 3.004 20 0 EGADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000423517105 458449067 /nfs/dbraw/zinc/44/90/67/458449067.db2.gz ULOIRBDTNZTWDT-FDKIHUSFSA-N 3 1 327.516 3.147 20 0 EGADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000423517105 458449070 /nfs/dbraw/zinc/44/90/70/458449070.db2.gz ULOIRBDTNZTWDT-FDKIHUSFSA-N 2 1 327.516 3.147 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000423527202 458453053 /nfs/dbraw/zinc/45/30/53/458453053.db2.gz LYMJSDWGUDZDJN-TWHAJKEOSA-N 2 1 349.522 3.385 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423534152 458454010 /nfs/dbraw/zinc/45/40/10/458454010.db2.gz VIYVHPDHNBEMKA-KSSFIOAISA-N 2 1 332.492 3.385 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cnn1-c1ccc(F)cc1 ZINC000423535983 458454184 /nfs/dbraw/zinc/45/41/84/458454184.db2.gz YVHRJGGKZVNFKP-DJJJIMSYSA-N 2 1 330.451 3.488 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000373309546 458457927 /nfs/dbraw/zinc/45/79/27/458457927.db2.gz GQBIREZDBRQPST-INIZCTEOSA-N 2 1 336.549 3.214 20 0 EGADMP Cc1ccnc([C@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000423581716 458459086 /nfs/dbraw/zinc/45/90/86/458459086.db2.gz ZHKIPBSMUKMQOX-SFHVURJKSA-N 2 1 338.499 3.034 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000459732488 458461250 /nfs/dbraw/zinc/46/12/50/458461250.db2.gz GABZDICMTQNREH-CLAROIROSA-N 3 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000459732488 458461255 /nfs/dbraw/zinc/46/12/55/458461255.db2.gz GABZDICMTQNREH-CLAROIROSA-N 3 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000459732488 458461257 /nfs/dbraw/zinc/46/12/57/458461257.db2.gz GABZDICMTQNREH-CLAROIROSA-N 3 1 341.543 3.219 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430574517 458463081 /nfs/dbraw/zinc/46/30/81/458463081.db2.gz SVXQDDDAYODBJL-QFBILLFUSA-N 2 1 337.467 3.498 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430574517 458463085 /nfs/dbraw/zinc/46/30/85/458463085.db2.gz SVXQDDDAYODBJL-QFBILLFUSA-N 2 1 337.467 3.498 20 0 EGADMP CN(C[C@H](O)C[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000459758520 458470502 /nfs/dbraw/zinc/47/05/02/458470502.db2.gz VLGNGDHLRPXOQZ-PMACEKPBSA-N 2 1 328.500 3.449 20 0 EGADMP CN(C[C@H](O)C[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000459758520 458470506 /nfs/dbraw/zinc/47/05/06/458470506.db2.gz VLGNGDHLRPXOQZ-PMACEKPBSA-N 2 1 328.500 3.449 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000423735870 458477962 /nfs/dbraw/zinc/47/79/62/458477962.db2.gz XPTGARWVUPHGSB-MTHXSQLBSA-N 2 1 335.536 3.148 20 0 EGADMP CCO[C@@H]1CC[N@@H+](CC[C@H](C)[NH+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000451541798 458480523 /nfs/dbraw/zinc/48/05/23/458480523.db2.gz MHPONCBTJJUDHM-OBKDMQGPSA-N 2 1 340.552 3.259 20 0 EGADMP CCO[C@@H]1CC[NH+](CC[C@H](C)[N@@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000451541798 458480524 /nfs/dbraw/zinc/48/05/24/458480524.db2.gz MHPONCBTJJUDHM-OBKDMQGPSA-N 2 1 340.552 3.259 20 0 EGADMP CCO[C@@H]1CC[NH+](CC[C@H](C)[N@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000451541798 458480529 /nfs/dbraw/zinc/48/05/29/458480529.db2.gz MHPONCBTJJUDHM-OBKDMQGPSA-N 2 1 340.552 3.259 20 0 EGADMP C[N@@H+](Cc1ccc(C(F)F)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373423886 458489282 /nfs/dbraw/zinc/48/92/82/458489282.db2.gz WZVVCONOTBYMCB-SFHVURJKSA-N 2 1 337.458 3.225 20 0 EGADMP C[C@H]1C[C@@H](CCNC(=O)C2([NH3+])CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000423891731 458507856 /nfs/dbraw/zinc/50/78/56/458507856.db2.gz BRYKANIELGNFDU-PKOBYXMFSA-N 2 1 343.515 3.065 20 0 EGADMP C[NH2+]CC1CC[NH+](Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000430948915 458508377 /nfs/dbraw/zinc/50/83/77/458508377.db2.gz LVMNHCPRAAUSAC-UHFFFAOYSA-N 2 1 349.475 3.293 20 0 EGADMP CC[C@@H]1C[N@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@@H]1c1ccccc1 ZINC000431068992 458525033 /nfs/dbraw/zinc/52/50/33/458525033.db2.gz DTFPUWBPDHSXNV-ZBFHGGJFSA-N 2 1 328.460 3.279 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@@H]1c1ccccc1 ZINC000431068992 458525038 /nfs/dbraw/zinc/52/50/38/458525038.db2.gz DTFPUWBPDHSXNV-ZBFHGGJFSA-N 2 1 328.460 3.279 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000377833669 458545540 /nfs/dbraw/zinc/54/55/40/458545540.db2.gz FNSPLBKXHJYHDA-CEWLAPEOSA-N 2 1 344.499 3.161 20 0 EGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000377833669 458545545 /nfs/dbraw/zinc/54/55/45/458545545.db2.gz FNSPLBKXHJYHDA-CEWLAPEOSA-N 2 1 344.499 3.161 20 0 EGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000377833669 458545547 /nfs/dbraw/zinc/54/55/47/458545547.db2.gz FNSPLBKXHJYHDA-CEWLAPEOSA-N 2 1 344.499 3.161 20 0 EGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000373602673 458548084 /nfs/dbraw/zinc/54/80/84/458548084.db2.gz GDSLVQSVYQXRTK-FVQBIDKESA-N 2 1 342.405 3.089 20 0 EGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000373602673 458548090 /nfs/dbraw/zinc/54/80/90/458548090.db2.gz GDSLVQSVYQXRTK-FVQBIDKESA-N 2 1 342.405 3.089 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1)C(C)C ZINC000424063927 458549368 /nfs/dbraw/zinc/54/93/68/458549368.db2.gz DJJKRUDVYVXVQH-HLIPFELVSA-N 2 1 345.531 3.362 20 0 EGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424151568 458571418 /nfs/dbraw/zinc/57/14/18/458571418.db2.gz HZPPVSMABLQYFK-OTWHNJEPSA-N 2 1 335.536 3.150 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3OC2)[C@H](C)C1 ZINC000493895502 458595977 /nfs/dbraw/zinc/59/59/77/458595977.db2.gz XMLQATNTQXCKQJ-RLLQIKCJSA-N 2 1 346.515 3.107 20 0 EGADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000493941490 458603633 /nfs/dbraw/zinc/60/36/33/458603633.db2.gz LCZMICFKHAAOEK-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000493941490 458603641 /nfs/dbraw/zinc/60/36/41/458603641.db2.gz LCZMICFKHAAOEK-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000493941490 458603645 /nfs/dbraw/zinc/60/36/45/458603645.db2.gz LCZMICFKHAAOEK-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000493941494 458603990 /nfs/dbraw/zinc/60/39/90/458603990.db2.gz LCZMICFKHAAOEK-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000493941494 458603995 /nfs/dbraw/zinc/60/39/95/458603995.db2.gz LCZMICFKHAAOEK-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000493941494 458604000 /nfs/dbraw/zinc/60/40/00/458604000.db2.gz LCZMICFKHAAOEK-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP COC(=O)CC1CC([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000424300209 458609575 /nfs/dbraw/zinc/60/95/75/458609575.db2.gz JWKYZXPUQOUBHJ-OVZGMEQFSA-N 2 1 344.499 3.218 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(Cl)c1 ZINC000424326220 458615878 /nfs/dbraw/zinc/61/58/78/458615878.db2.gz YDTSFGNKWGOHHW-CABCVRRESA-N 2 1 340.895 3.236 20 0 EGADMP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(Cl)c1 ZINC000424326225 458615900 /nfs/dbraw/zinc/61/59/00/458615900.db2.gz YDTSFGNKWGOHHW-GJZGRUSLSA-N 2 1 340.895 3.236 20 0 EGADMP COc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(OC(F)F)c1 ZINC000424385155 458631337 /nfs/dbraw/zinc/63/13/37/458631337.db2.gz WAFIXSDNCVOXFW-ZDUSSCGKSA-N 2 1 340.414 3.261 20 0 EGADMP Cc1ccc(C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)c2ccc(C)cc2)cc1 ZINC000546572900 458638165 /nfs/dbraw/zinc/63/81/65/458638165.db2.gz PVDIHTSFCYKPMJ-FGZHOGPDSA-N 2 1 338.495 3.243 20 0 EGADMP Cc1ccc(C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)c2ccc(C)cc2)cc1 ZINC000546572900 458638170 /nfs/dbraw/zinc/63/81/70/458638170.db2.gz PVDIHTSFCYKPMJ-FGZHOGPDSA-N 2 1 338.495 3.243 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000424435499 458643436 /nfs/dbraw/zinc/64/34/36/458643436.db2.gz IRIJNGRPHMNFHU-IYBDPMFKSA-N 2 1 346.519 3.332 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000424445289 458644456 /nfs/dbraw/zinc/64/44/56/458644456.db2.gz OIRJUBOMIPXRCP-CQSZACIVSA-N 2 1 332.492 3.086 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC000439066804 458648309 /nfs/dbraw/zinc/64/83/09/458648309.db2.gz DSZJKZDTPXDOGX-GDBMZVCRSA-N 2 1 333.476 3.036 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC000439066804 458648314 /nfs/dbraw/zinc/64/83/14/458648314.db2.gz DSZJKZDTPXDOGX-GDBMZVCRSA-N 2 1 333.476 3.036 20 0 EGADMP CC(C)C1CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000462725687 458648776 /nfs/dbraw/zinc/64/87/76/458648776.db2.gz CTSJOHWCRVUTSP-XVAXZDLZSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)C1CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000462725687 458648782 /nfs/dbraw/zinc/64/87/82/458648782.db2.gz CTSJOHWCRVUTSP-XVAXZDLZSA-N 2 1 330.516 3.428 20 0 EGADMP CC[NH+](CC)CC1CCN(c2cc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000462787602 458653759 /nfs/dbraw/zinc/65/37/59/458653759.db2.gz CKMYSNHVUWYRER-UHFFFAOYSA-N 2 1 333.524 3.224 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)[C@@H]2CCC[C@@H]21 ZINC000462810501 458656616 /nfs/dbraw/zinc/65/66/16/458656616.db2.gz CVWPBIOHVFFTAM-CAMMJAKZSA-N 2 1 331.479 3.114 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH+]3C3CC3)cc2)C1 ZINC000494349266 458661534 /nfs/dbraw/zinc/66/15/34/458661534.db2.gz LFUBOAKKXGSDAN-UZLBHIALSA-N 2 1 341.499 3.484 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cc2)C1 ZINC000494349266 458661540 /nfs/dbraw/zinc/66/15/40/458661540.db2.gz LFUBOAKKXGSDAN-UZLBHIALSA-N 2 1 341.499 3.484 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)cc2)C1 ZINC000494349266 458661543 /nfs/dbraw/zinc/66/15/43/458661543.db2.gz LFUBOAKKXGSDAN-UZLBHIALSA-N 2 1 341.499 3.484 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)c1cccc(F)c1 ZINC000546723446 458666074 /nfs/dbraw/zinc/66/60/74/458666074.db2.gz KZRPGZGCWZLZSB-LJQANCHMSA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000502798244 458671014 /nfs/dbraw/zinc/67/10/14/458671014.db2.gz ZQPIZLFGIVMNJE-IAGOWNOFSA-N 2 1 348.535 3.145 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)CC3 ZINC000547318879 458718182 /nfs/dbraw/zinc/71/81/82/458718182.db2.gz NPPUCIOYAQOZPI-HNNXBMFYSA-N 2 1 341.499 3.498 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)CC3 ZINC000547318879 458718188 /nfs/dbraw/zinc/71/81/88/458718188.db2.gz NPPUCIOYAQOZPI-HNNXBMFYSA-N 2 1 341.499 3.498 20 0 EGADMP CC(C)COc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432350889 458721257 /nfs/dbraw/zinc/72/12/57/458721257.db2.gz GLCUYTITHOASBO-GOSISDBHSA-N 2 1 334.504 3.312 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1(CC)CC ZINC000432408822 458734566 /nfs/dbraw/zinc/73/45/66/458734566.db2.gz VOOXZNNJEYQEOI-RCCFBDPRSA-N 2 1 326.525 3.061 20 0 EGADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432417297 458735414 /nfs/dbraw/zinc/73/54/14/458735414.db2.gz LLGNGEFSDIPDSO-TZIWHRDSSA-N 2 1 348.531 3.318 20 0 EGADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432417297 458735419 /nfs/dbraw/zinc/73/54/19/458735419.db2.gz LLGNGEFSDIPDSO-TZIWHRDSSA-N 2 1 348.531 3.318 20 0 EGADMP CCc1nc2c(s1)[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)CCC2 ZINC000432423086 458737478 /nfs/dbraw/zinc/73/74/78/458737478.db2.gz WSVVSLLMDJIIDK-CABCVRRESA-N 2 1 337.533 3.173 20 0 EGADMP CCc1nc2c(s1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CCC2 ZINC000432423086 458737479 /nfs/dbraw/zinc/73/74/79/458737479.db2.gz WSVVSLLMDJIIDK-CABCVRRESA-N 2 1 337.533 3.173 20 0 EGADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C1CCCCC1 ZINC000439900667 458763634 /nfs/dbraw/zinc/76/36/34/458763634.db2.gz LVDLFUFNNHVURV-LJQANCHMSA-N 2 1 335.536 3.164 20 0 EGADMP CCc1cc(NCCC[N@H+]2CCCO[C@H](C)C2)c2ccccc2[nH+]1 ZINC000432855383 458802731 /nfs/dbraw/zinc/80/27/31/458802731.db2.gz RETKLWMIRGBMSL-MRXNPFEDSA-N 2 1 327.472 3.132 20 0 EGADMP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000556247234 458941677 /nfs/dbraw/zinc/94/16/77/458941677.db2.gz SNUUEOQHXYVLNZ-FUHWJXTLSA-N 2 1 325.456 3.263 20 0 EGADMP Cc1nc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[nH]c1C ZINC000566496584 458948438 /nfs/dbraw/zinc/94/84/38/458948438.db2.gz JPXHJYFOVRMZJH-BEFAXECRSA-N 2 1 326.488 3.417 20 0 EGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000576935912 458949902 /nfs/dbraw/zinc/94/99/02/458949902.db2.gz HYRJUKPXEPGPMO-YTQUADARSA-N 2 1 348.531 3.105 20 0 EGADMP C[N@H+]1CCN(CCC[NH2+]C(C2CC2)C2CC2)[C@@H](c2ccccc2)C1 ZINC000531685505 458960223 /nfs/dbraw/zinc/96/02/23/458960223.db2.gz CBAJQOFARLSANI-HXUWFJFHSA-N 2 1 327.516 3.143 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531724199 458966997 /nfs/dbraw/zinc/96/69/97/458966997.db2.gz CKKRWMRPZNQBKW-SQWLQELKSA-N 2 1 337.895 3.438 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531724199 458967006 /nfs/dbraw/zinc/96/70/06/458967006.db2.gz CKKRWMRPZNQBKW-SQWLQELKSA-N 2 1 337.895 3.438 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000468046367 458999244 /nfs/dbraw/zinc/99/92/44/458999244.db2.gz CLDJSKMKENTTOH-NHYWBVRUSA-N 2 1 336.277 3.360 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000468046367 458999254 /nfs/dbraw/zinc/99/92/54/458999254.db2.gz CLDJSKMKENTTOH-NHYWBVRUSA-N 2 1 336.277 3.360 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000566792203 459001420 /nfs/dbraw/zinc/00/14/20/459001420.db2.gz NLOREPYLWQKLRQ-OAQYLSRUSA-N 2 1 344.474 3.359 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(C)CCCCC3)CC2)CC1 ZINC000519768387 459002595 /nfs/dbraw/zinc/00/25/95/459002595.db2.gz HVGAXALRBJDNCR-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP CCN(CC(C)(C)C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000566806597 459003498 /nfs/dbraw/zinc/00/34/98/459003498.db2.gz USCLXIVDVJDGHX-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000577373697 459024051 /nfs/dbraw/zinc/02/40/51/459024051.db2.gz YBRHFDSOMQULAF-IRXDYDNUSA-N 2 1 325.456 3.065 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442763212 459033468 /nfs/dbraw/zinc/03/34/68/459033468.db2.gz AVNPJMCEJVRLSH-ZACQAIPSSA-N 2 1 337.467 3.350 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442763212 459033472 /nfs/dbraw/zinc/03/34/72/459033472.db2.gz AVNPJMCEJVRLSH-ZACQAIPSSA-N 2 1 337.467 3.350 20 0 EGADMP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000567169603 459057651 /nfs/dbraw/zinc/05/76/51/459057651.db2.gz WTBDIHCGANGDCL-CRAIPNDOSA-N 2 1 329.488 3.388 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000442916742 459060060 /nfs/dbraw/zinc/06/00/60/459060060.db2.gz AGLDHNMALGEISD-QGZVFWFLSA-N 2 1 325.456 3.221 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442932171 459063026 /nfs/dbraw/zinc/06/30/26/459063026.db2.gz XILVEBNFDJFNAM-INIZCTEOSA-N 2 1 325.456 3.318 20 0 EGADMP CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999355 459065418 /nfs/dbraw/zinc/06/54/18/459065418.db2.gz BNWFXQUQPXBSEU-FXAWDEMLSA-N 2 1 345.531 3.265 20 0 EGADMP Fc1ccc(COc2cccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000577633710 459066006 /nfs/dbraw/zinc/06/60/06/459066006.db2.gz VBWWZYNTRIHYMX-OALUTQOASA-N 2 1 340.442 3.446 20 0 EGADMP Fc1ccc(COc2cccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000577633710 459066011 /nfs/dbraw/zinc/06/60/11/459066011.db2.gz VBWWZYNTRIHYMX-OALUTQOASA-N 2 1 340.442 3.446 20 0 EGADMP CC(C)(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1cccs1 ZINC000443057672 459078657 /nfs/dbraw/zinc/07/86/57/459078657.db2.gz HRISJFMVMZFHCF-WMLDXEAASA-N 2 1 337.533 3.012 20 0 EGADMP CC(C)[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC000532449810 459089568 /nfs/dbraw/zinc/08/95/68/459089568.db2.gz KXFIBBWDEUOROX-RTWAWAEBSA-N 2 1 329.532 3.389 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H]1CCCC[C@H]1O ZINC000577854670 459107866 /nfs/dbraw/zinc/10/78/66/459107866.db2.gz VSCKBIVYHFMRSQ-ZVXZJYCBSA-N 2 1 330.516 3.284 20 0 EGADMP O[C@H](CCc1ccccc1)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567700923 459149177 /nfs/dbraw/zinc/14/91/77/459149177.db2.gz VBNQDUKFHVVPBU-FCHUYYIVSA-N 2 1 338.495 3.092 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](CC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000521823843 459179534 /nfs/dbraw/zinc/17/95/34/459179534.db2.gz PUQRYARQTLPDEF-LJQANCHMSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000480724537 459215884 /nfs/dbraw/zinc/21/58/84/459215884.db2.gz VTIAUQCHFMNVMG-FMKPAKJESA-N 2 1 341.421 3.214 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000480724537 459215890 /nfs/dbraw/zinc/21/58/90/459215890.db2.gz VTIAUQCHFMNVMG-FMKPAKJESA-N 2 1 341.421 3.214 20 0 EGADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C)c1 ZINC000590786580 459218283 /nfs/dbraw/zinc/21/82/83/459218283.db2.gz GLJRZMAEVOYAEL-UHFFFAOYSA-N 2 1 331.504 3.294 20 0 EGADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)c1 ZINC000590786580 459218289 /nfs/dbraw/zinc/21/82/89/459218289.db2.gz GLJRZMAEVOYAEL-UHFFFAOYSA-N 2 1 331.504 3.294 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000480909847 459223289 /nfs/dbraw/zinc/22/32/89/459223289.db2.gz HIVNKMIUNQHBLN-WOJBJXKFSA-N 2 1 345.531 3.106 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCO[C@@H]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000480922319 459223333 /nfs/dbraw/zinc/22/33/33/459223333.db2.gz WOOVAVZRYMWZQW-LWYYNNOASA-N 2 1 340.552 3.308 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000533408614 459232496 /nfs/dbraw/zinc/23/24/96/459232496.db2.gz CHHJQACGQTYYRU-HNNXBMFYSA-N 2 1 342.487 3.449 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000533408614 459232500 /nfs/dbraw/zinc/23/25/00/459232500.db2.gz CHHJQACGQTYYRU-HNNXBMFYSA-N 2 1 342.487 3.449 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)C[C@@H]1c1ccccc1 ZINC000559753449 459276003 /nfs/dbraw/zinc/27/60/03/459276003.db2.gz NSRGKSNGMRIIQM-GVDBMIGSSA-N 2 1 341.421 3.048 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)C[C@@H]1c1ccccc1 ZINC000559753449 459276010 /nfs/dbraw/zinc/27/60/10/459276010.db2.gz NSRGKSNGMRIIQM-GVDBMIGSSA-N 2 1 341.421 3.048 20 0 EGADMP CC(C)c1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000595339716 459280677 /nfs/dbraw/zinc/28/06/77/459280677.db2.gz POOLRWQIVSZILQ-NRFANRHFSA-N 2 1 329.532 3.410 20 0 EGADMP Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000560336574 459324478 /nfs/dbraw/zinc/32/44/78/459324478.db2.gz YSYCUUAXQIJNDR-HXUWFJFHSA-N 2 1 348.531 3.095 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CC[NH+](C(C)C)C2)cc1)C1CC1 ZINC000523727073 459327253 /nfs/dbraw/zinc/32/72/53/459327253.db2.gz XCJBFEONVAGGBN-SFHVURJKSA-N 2 1 343.515 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1)C1CC1 ZINC000523727073 459327259 /nfs/dbraw/zinc/32/72/59/459327259.db2.gz XCJBFEONVAGGBN-SFHVURJKSA-N 2 1 343.515 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1)C1CC1 ZINC000523727073 459327269 /nfs/dbraw/zinc/32/72/69/459327269.db2.gz XCJBFEONVAGGBN-SFHVURJKSA-N 2 1 343.515 3.131 20 0 EGADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](CC(N)=O)c2ccccc2)CC1 ZINC000560608310 459380867 /nfs/dbraw/zinc/38/08/67/459380867.db2.gz KLKHGMPAYAIKIJ-DBVUQKKJSA-N 2 1 343.515 3.236 20 0 EGADMP CCc1ccc(-c2noc([C@@H](C)[NH2+]CCCc3c[nH+]cn3C)n2)cc1 ZINC000582554447 459383944 /nfs/dbraw/zinc/38/39/44/459383944.db2.gz NCKYQVXPUVVQMJ-CQSZACIVSA-N 2 1 339.443 3.316 20 0 EGADMP CCC[NH+](CCC)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000483736848 459387766 /nfs/dbraw/zinc/38/77/66/459387766.db2.gz SUBGUJQCHCLRQT-QZTJIDSGSA-N 2 1 340.556 3.013 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000497057288 459421405 /nfs/dbraw/zinc/42/14/05/459421405.db2.gz UVHJWDGVIJYGLQ-HOTGVXAUSA-N 2 1 336.480 3.007 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000497126595 459450861 /nfs/dbraw/zinc/45/08/61/459450861.db2.gz GOAYNWVNNOAGBJ-IKGGRYGDSA-N 2 1 339.524 3.238 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2(CNC(=O)OC(C)(C)C)CC2)C[C@@H]1n1ccnc1 ZINC000497147277 459459805 /nfs/dbraw/zinc/45/98/05/459459805.db2.gz MRJSCYKVDWNBLN-CVEARBPZSA-N 2 1 348.491 3.071 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497177389 459473958 /nfs/dbraw/zinc/47/39/58/459473958.db2.gz KDOSCYGPZOISKC-GVDBMIGSSA-N 2 1 339.524 3.096 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1)C1CC1 ZINC000569809670 459513512 /nfs/dbraw/zinc/51/35/12/459513512.db2.gz UNWWPDNTGJOKRS-QAQDUYKDSA-N 2 1 343.515 3.166 20 0 EGADMP Cn1ncc2ccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000583726894 459585232 /nfs/dbraw/zinc/58/52/32/459585232.db2.gz GMCUJBCGVPVZMP-UHFFFAOYSA-N 2 1 334.467 3.328 20 0 EGADMP Cc1nc2cc(CNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)ccc2n1C1CC1 ZINC000572898711 459591970 /nfs/dbraw/zinc/59/19/70/459591970.db2.gz IEKFSRWNVDBSPI-OKILXGFUSA-N 2 1 340.471 3.169 20 0 EGADMP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000498517828 459593129 /nfs/dbraw/zinc/59/31/29/459593129.db2.gz SVOGHQBOXQNFMR-HXUWFJFHSA-N 2 1 345.531 3.260 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000498517828 459593132 /nfs/dbraw/zinc/59/31/32/459593132.db2.gz SVOGHQBOXQNFMR-HXUWFJFHSA-N 2 1 345.531 3.260 20 0 EGADMP Cc1cc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)ccn1 ZINC000527535097 459656677 /nfs/dbraw/zinc/65/66/77/459656677.db2.gz PXLIUMIDKUJNPJ-UHFFFAOYSA-N 3 1 344.547 3.018 20 0 EGADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000562958552 459680846 /nfs/dbraw/zinc/68/08/46/459680846.db2.gz MRLFSMQKEUXQOL-NCXUSEDFSA-N 2 1 335.923 3.453 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+]C[C@@H](O)CC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000562995288 459689882 /nfs/dbraw/zinc/68/98/82/459689882.db2.gz BNVDQKVYJGZWAP-PVAVHDDUSA-N 2 1 344.421 3.190 20 0 EGADMP COc1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC(F)F ZINC000596639263 459709309 /nfs/dbraw/zinc/70/93/09/459709309.db2.gz ORIDZPUATGSUBO-ZIAGYGMSSA-N 2 1 326.387 3.013 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC(F)F ZINC000596639263 459709312 /nfs/dbraw/zinc/70/93/12/459709312.db2.gz ORIDZPUATGSUBO-ZIAGYGMSSA-N 2 1 326.387 3.013 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC(F)F ZINC000596639263 459709317 /nfs/dbraw/zinc/70/93/17/459709317.db2.gz ORIDZPUATGSUBO-ZIAGYGMSSA-N 2 1 326.387 3.013 20 0 EGADMP Cn1cc2ccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2n1 ZINC000527764256 459728688 /nfs/dbraw/zinc/72/86/88/459728688.db2.gz SQVXGBUZGYSQLY-UHFFFAOYSA-N 2 1 334.467 3.328 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000573783386 459734381 /nfs/dbraw/zinc/73/43/81/459734381.db2.gz FJSVRTIZGMCIJF-QGZVFWFLSA-N 2 1 344.503 3.325 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC45CC(C4)CO5)[C@@H]3C2)cc1 ZINC000527981955 459787967 /nfs/dbraw/zinc/78/79/67/459787967.db2.gz PGCGGHWXKSKUPJ-QHEDFCPTSA-N 2 1 326.484 3.056 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002146 459791965 /nfs/dbraw/zinc/79/19/65/459791965.db2.gz ADPRCALMZXZYSV-CRAIPNDOSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002146 459791968 /nfs/dbraw/zinc/79/19/68/459791968.db2.gz ADPRCALMZXZYSV-CRAIPNDOSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002146 459791971 /nfs/dbraw/zinc/79/19/71/459791971.db2.gz ADPRCALMZXZYSV-CRAIPNDOSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002146 459791976 /nfs/dbraw/zinc/79/19/76/459791976.db2.gz ADPRCALMZXZYSV-CRAIPNDOSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002146 459791979 /nfs/dbraw/zinc/79/19/79/459791979.db2.gz ADPRCALMZXZYSV-CRAIPNDOSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002146 459791984 /nfs/dbraw/zinc/79/19/84/459791984.db2.gz ADPRCALMZXZYSV-CRAIPNDOSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@H]([NH2+][C@H]1Cc2ccccc2NC1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000528003142 459793099 /nfs/dbraw/zinc/79/30/99/459793099.db2.gz UVPCAIBIJKXAOT-SCWSEQNSSA-N 2 1 349.478 3.050 20 0 EGADMP C[C@H]([NH2+][C@H]1Cc2ccccc2NC1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528003142 459793102 /nfs/dbraw/zinc/79/31/02/459793102.db2.gz UVPCAIBIJKXAOT-SCWSEQNSSA-N 2 1 349.478 3.050 20 0 EGADMP Cc1ccc2cc(C[N@@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)[nH]c2c1 ZINC000597025921 459820392 /nfs/dbraw/zinc/82/03/92/459820392.db2.gz JWHPCRVHMHSQAR-HXUWFJFHSA-N 2 1 340.515 3.077 20 0 EGADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1F ZINC000597050752 459824367 /nfs/dbraw/zinc/82/43/67/459824367.db2.gz CDZJMMSZLAZYHD-UHFFFAOYSA-N 2 1 348.462 3.357 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000575052689 459917415 /nfs/dbraw/zinc/91/74/15/459917415.db2.gz GVSPAPKAVCXYQV-NRFANRHFSA-N 2 1 326.484 3.220 20 0 EGADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(OC)cc1 ZINC000588689930 459970752 /nfs/dbraw/zinc/97/07/52/459970752.db2.gz STHKATZFOXMSQH-FPOVZHCZSA-N 2 1 342.483 3.229 20 0 EGADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(OC)cc1 ZINC000588689930 459970757 /nfs/dbraw/zinc/97/07/57/459970757.db2.gz STHKATZFOXMSQH-FPOVZHCZSA-N 2 1 342.483 3.229 20 0 EGADMP CCOC(=O)c1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)[nH]1 ZINC000602531471 459985817 /nfs/dbraw/zinc/98/58/17/459985817.db2.gz WEKKDIXDJYKBJC-UHFFFAOYSA-N 2 1 343.471 3.321 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)o1 ZINC000618385446 459992128 /nfs/dbraw/zinc/99/21/28/459992128.db2.gz RYGNXOXJONZMLU-JKSUJKDBSA-N 2 1 335.492 3.114 20 0 EGADMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602556766 459996030 /nfs/dbraw/zinc/99/60/30/459996030.db2.gz MPWBJSUQADIWAK-AOIWGVFYSA-N 2 1 334.529 3.058 20 0 EGADMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602556766 459996033 /nfs/dbraw/zinc/99/60/33/459996033.db2.gz MPWBJSUQADIWAK-AOIWGVFYSA-N 2 1 334.529 3.058 20 0 EGADMP COC(=O)c1csc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000602651022 460043634 /nfs/dbraw/zinc/04/36/34/460043634.db2.gz URMRBEPPRIAISA-MRXNPFEDSA-N 2 1 344.480 3.146 20 0 EGADMP COC(=O)c1csc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000602651022 460043641 /nfs/dbraw/zinc/04/36/41/460043641.db2.gz URMRBEPPRIAISA-MRXNPFEDSA-N 2 1 344.480 3.146 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602683016 460063786 /nfs/dbraw/zinc/06/37/86/460063786.db2.gz ZZNRBOTVIQLUQA-RNQOJCNYSA-N 2 1 342.483 3.286 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602683016 460063790 /nfs/dbraw/zinc/06/37/90/460063790.db2.gz ZZNRBOTVIQLUQA-RNQOJCNYSA-N 2 1 342.483 3.286 20 0 EGADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000576279488 460106336 /nfs/dbraw/zinc/10/63/36/460106336.db2.gz YEHXCJXLNVOUAW-MRXNPFEDSA-N 2 1 339.487 3.231 20 0 EGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000576279488 460106344 /nfs/dbraw/zinc/10/63/44/460106344.db2.gz YEHXCJXLNVOUAW-MRXNPFEDSA-N 2 1 339.487 3.231 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)CCC2 ZINC000599071664 460151291 /nfs/dbraw/zinc/15/12/91/460151291.db2.gz SBGWTPDHROINOT-JKSUJKDBSA-N 2 1 348.487 3.464 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)CCC2 ZINC000599071664 460151297 /nfs/dbraw/zinc/15/12/97/460151297.db2.gz SBGWTPDHROINOT-JKSUJKDBSA-N 2 1 348.487 3.464 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)CCC2 ZINC000599071664 460151303 /nfs/dbraw/zinc/15/13/03/460151303.db2.gz SBGWTPDHROINOT-JKSUJKDBSA-N 2 1 348.487 3.464 20 0 EGADMP CC(C)(C)[C@@H](NC(=O)C[NH+]1CCC(CC[NH3+])CC1)c1cccs1 ZINC000576761712 460207909 /nfs/dbraw/zinc/20/79/09/460207909.db2.gz VFEJCHGFKLUMPZ-KRWDZBQOSA-N 2 1 337.533 3.012 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626102069 460371273 /nfs/dbraw/zinc/37/12/73/460371273.db2.gz SDXWEESICPLGFZ-MRXNPFEDSA-N 2 1 342.270 3.373 20 0 EGADMP CCn1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631667542 460500685 /nfs/dbraw/zinc/50/06/85/460500685.db2.gz QAYUAEUBKMHLNE-ZIFCJYIRSA-N 2 1 326.488 3.322 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(-c3ccc(F)cc3)nn2)C1 ZINC000623358163 460509491 /nfs/dbraw/zinc/50/94/91/460509491.db2.gz QYLKZCCTPOWKST-INIZCTEOSA-N 2 1 345.466 3.008 20 0 EGADMP c1[nH]nc2cccc(C[NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)c12 ZINC000623400231 460529015 /nfs/dbraw/zinc/52/90/15/460529015.db2.gz MIPSFFGXTQXIEL-GOSISDBHSA-N 2 1 334.467 3.217 20 0 EGADMP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@@H](O)C(F)(F)F ZINC000631716189 460529470 /nfs/dbraw/zinc/52/94/70/460529470.db2.gz JQFPPZXBBVHZAG-LHUBUQBQSA-N 2 1 344.421 3.331 20 0 EGADMP Brc1cnccc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000629547659 460804550 /nfs/dbraw/zinc/80/45/50/460804550.db2.gz VBTLXWRBMUBYLB-AWEZNQCLSA-N 2 1 338.293 3.056 20 0 EGADMP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000635486252 460805930 /nfs/dbraw/zinc/80/59/30/460805930.db2.gz FPBHCLYLCIMMRP-HXUWFJFHSA-N 2 1 347.547 3.118 20 0 EGADMP OC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC(c2ccccc2)CC1 ZINC000629557826 460807715 /nfs/dbraw/zinc/80/77/15/460807715.db2.gz YSHIWCBLEDNEEC-OMYXNUHHSA-N 2 1 328.500 3.292 20 0 EGADMP CCCOc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629653325 460848538 /nfs/dbraw/zinc/84/85/38/460848538.db2.gz DYHQOXKVWPTVRR-HOCLYGCPSA-N 2 1 330.394 3.435 20 0 EGADMP CCCOc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629653325 460848541 /nfs/dbraw/zinc/84/85/41/460848541.db2.gz DYHQOXKVWPTVRR-HOCLYGCPSA-N 2 1 330.394 3.435 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(CC)C2CC[NH+](C)CC2)cc1 ZINC000627619386 460862705 /nfs/dbraw/zinc/86/27/05/460862705.db2.gz FQYVRRROGJTPIO-UHFFFAOYSA-N 2 1 345.531 3.475 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000624121434 460871163 /nfs/dbraw/zinc/87/11/63/460871163.db2.gz WIPHSOGQTXSYQE-OAHLLOKOSA-N 2 1 337.458 3.255 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624122179 460872893 /nfs/dbraw/zinc/87/28/93/460872893.db2.gz LQYQIFSYLZANLU-GDBMZVCRSA-N 2 1 333.476 3.036 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624122179 460872894 /nfs/dbraw/zinc/87/28/94/460872894.db2.gz LQYQIFSYLZANLU-GDBMZVCRSA-N 2 1 333.476 3.036 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000635816215 460937331 /nfs/dbraw/zinc/93/73/31/460937331.db2.gz KEFWOUFMOPGRQN-UHFFFAOYSA-N 2 1 334.508 3.167 20 0 EGADMP c1ccc(-c2cc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)ccn2)cc1 ZINC000624267386 460940161 /nfs/dbraw/zinc/94/01/61/460940161.db2.gz LQBFEHAPNQRMGV-HXUWFJFHSA-N 2 1 337.467 3.092 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)c(F)c2N(C)C)C[C@H]1C ZINC000628183145 461036189 /nfs/dbraw/zinc/03/61/89/461036189.db2.gz RVWVCTPRTXVWNY-UKRRQHHQSA-N 2 1 325.447 3.335 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCc3c(F)cccc3Cl)C2)C1 ZINC000652348215 461141381 /nfs/dbraw/zinc/14/13/81/461141381.db2.gz XRSQIZQUJJOQAT-IYOUNJFTSA-N 2 1 340.870 3.240 20 0 EGADMP CC(C)(C)c1csc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)n1 ZINC000652349367 461141534 /nfs/dbraw/zinc/14/15/34/461141534.db2.gz MDPCIFWWPKFVMG-KKUMJFAQSA-N 2 1 337.533 3.159 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)on3)C2)C1 ZINC000652349167 461142793 /nfs/dbraw/zinc/14/27/93/461142793.db2.gz DAKAITUSFFSBJT-YQVWRLOYSA-N 2 1 341.455 3.060 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(-c4cccs4)on3)C2)C1 ZINC000652346585 461143030 /nfs/dbraw/zinc/14/30/30/461143030.db2.gz ASUOLZBMBCJNBH-LZWOXQAQSA-N 2 1 347.484 3.121 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(-c4cccs4)on3)C2)C1 ZINC000652346586 461143443 /nfs/dbraw/zinc/14/34/43/461143443.db2.gz ASUOLZBMBCJNBH-SQWLQELKSA-N 2 1 347.484 3.121 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ncc(Cl)cc3Cl)C2)C1 ZINC000652349566 461145357 /nfs/dbraw/zinc/14/53/57/461145357.db2.gz SRPKXEGPHGNICQ-NORZTCDRSA-N 2 1 344.286 3.107 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ncc(Cl)cc3Cl)C2)C1 ZINC000652349566 461145366 /nfs/dbraw/zinc/14/53/66/461145366.db2.gz SRPKXEGPHGNICQ-NORZTCDRSA-N 2 1 344.286 3.107 20 0 EGADMP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])co2)cc1 ZINC000652353805 461146491 /nfs/dbraw/zinc/14/64/91/461146491.db2.gz DJWLYAYAVMRSRZ-KSSFIOAISA-N 2 1 329.444 3.300 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])co2)cc1 ZINC000652353805 461146498 /nfs/dbraw/zinc/14/64/98/461146498.db2.gz DJWLYAYAVMRSRZ-KSSFIOAISA-N 2 1 329.444 3.300 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc(C[NH+](C)C2CCCCC2)nn1 ZINC000641169404 461161819 /nfs/dbraw/zinc/16/18/19/461161819.db2.gz MBNMPUZKCNKQTI-IBGZPJMESA-N 2 1 333.524 3.306 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1Cn1cc(C[N@H+](C)C2CCCCC2)nn1 ZINC000641169404 461161831 /nfs/dbraw/zinc/16/18/31/461161831.db2.gz MBNMPUZKCNKQTI-IBGZPJMESA-N 2 1 333.524 3.306 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1Cn1cc(C[N@@H+](C)C2CCCCC2)nn1 ZINC000641169404 461161843 /nfs/dbraw/zinc/16/18/43/461161843.db2.gz MBNMPUZKCNKQTI-IBGZPJMESA-N 2 1 333.524 3.306 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])on2)cc1 ZINC000662287108 461167953 /nfs/dbraw/zinc/16/79/53/461167953.db2.gz WBPYYPSNCQCIMV-KUHUBIRLSA-N 2 1 329.444 3.300 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296208 461175716 /nfs/dbraw/zinc/17/57/16/461175716.db2.gz XUEIDWVSQUOYSD-MRXNPFEDSA-N 2 1 349.906 3.299 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)[C@@H]1CCC[NH3+] ZINC000662313391 461186418 /nfs/dbraw/zinc/18/64/18/461186418.db2.gz KYLGCFGOCHUGAX-DNVCBOLYSA-N 2 1 330.451 3.351 20 0 EGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@@H](C)c3cnc(C)nc3C)C2)c1 ZINC000638008073 461193655 /nfs/dbraw/zinc/19/36/55/461193655.db2.gz WLPRHWJBKKOQTK-DOTOQJQBSA-N 2 1 325.460 3.292 20 0 EGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@@H](C)c3cnc(C)nc3C)C2)c1 ZINC000638008073 461193663 /nfs/dbraw/zinc/19/36/63/461193663.db2.gz WLPRHWJBKKOQTK-DOTOQJQBSA-N 2 1 325.460 3.292 20 0 EGADMP Fc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000662327990 461194428 /nfs/dbraw/zinc/19/44/28/461194428.db2.gz NGPMKWDVBKCUNR-UHFFFAOYSA-N 2 1 342.462 3.395 20 0 EGADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](c3nccn3C)C3CC3)C2)[nH+]1 ZINC000638008341 461194430 /nfs/dbraw/zinc/19/44/30/461194430.db2.gz YYIKUGLOJVPXAG-YJBOKZPZSA-N 2 1 325.460 3.009 20 0 EGADMP CCc1cccc2cc(C[N@@H+]3CCOC4(CC[NH+](C)CC4)C3)oc21 ZINC000668277309 461222247 /nfs/dbraw/zinc/22/22/47/461222247.db2.gz DIIYFPIVALQSKE-UHFFFAOYSA-N 2 1 328.456 3.292 20 0 EGADMP CCc1cccc2cc(C[N@H+]3CCOC4(CC[NH+](C)CC4)C3)oc21 ZINC000668277309 461222252 /nfs/dbraw/zinc/22/22/52/461222252.db2.gz DIIYFPIVALQSKE-UHFFFAOYSA-N 2 1 328.456 3.292 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000659247460 461247465 /nfs/dbraw/zinc/24/74/65/461247465.db2.gz XQWVNYBGNROGBQ-OZOXKJRCSA-N 2 1 349.478 3.173 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2OCCCCO)C[C@@H]1n1ccnc1 ZINC000638170076 461284316 /nfs/dbraw/zinc/28/43/16/461284316.db2.gz CLSZWDUIGIPHRN-MJGOQNOKSA-N 2 1 343.471 3.118 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662674705 461343200 /nfs/dbraw/zinc/34/32/00/461343200.db2.gz FTRWLJXLSWTBOU-LPHOPBHVSA-N 2 1 343.515 3.065 20 0 EGADMP NC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638296655 461352127 /nfs/dbraw/zinc/35/21/27/461352127.db2.gz AYSRXCGMOPBWCA-TZIWHRDSSA-N 2 1 349.478 3.243 20 0 EGADMP NC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638296655 461352136 /nfs/dbraw/zinc/35/21/36/461352136.db2.gz AYSRXCGMOPBWCA-TZIWHRDSSA-N 2 1 349.478 3.243 20 0 EGADMP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000633953773 461352519 /nfs/dbraw/zinc/35/25/19/461352519.db2.gz PVAQIGHRHMJBLA-IBGZPJMESA-N 2 1 343.515 3.156 20 0 EGADMP CCCOCc1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655695014 461367757 /nfs/dbraw/zinc/36/77/57/461367757.db2.gz OGDGLIGABNPOOX-NRFANRHFSA-N 2 1 346.515 3.346 20 0 EGADMP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000655708964 461381079 /nfs/dbraw/zinc/38/10/79/461381079.db2.gz QRIFOZQABCJJMS-LJQANCHMSA-N 2 1 334.479 3.336 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2nsc3ccccc32)C1 ZINC000641818383 461387960 /nfs/dbraw/zinc/38/79/60/461387960.db2.gz DBNIOLOLFBOTPU-COXVUDFISA-N 2 1 331.485 3.157 20 0 EGADMP c1ccc2c(c1)CCS[C@H]2C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655722075 461391102 /nfs/dbraw/zinc/39/11/02/461391102.db2.gz WDKCRTWBBLGMAZ-ICSRJNTNSA-N 2 1 346.540 3.250 20 0 EGADMP C(CC12CC3CC(CC(C3)C1)C2)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655724091 461393606 /nfs/dbraw/zinc/39/36/06/461393606.db2.gz SBGDXBPOHYZOEX-UQTNFYOXSA-N 2 1 332.532 3.436 20 0 EGADMP c1ccc2c(c1)CC[C@H](C[NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000655730646 461398623 /nfs/dbraw/zinc/39/86/23/461398623.db2.gz QBSSOMKPSANLBJ-LAUBAEHRSA-N 2 1 328.500 3.025 20 0 EGADMP c1ccc2c(c1)CC[C@H](C[NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000655730649 461400052 /nfs/dbraw/zinc/40/00/52/461400052.db2.gz QBSSOMKPSANLBJ-UWJYYQICSA-N 2 1 328.500 3.025 20 0 EGADMP CCC(CC)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000655753323 461420430 /nfs/dbraw/zinc/42/04/30/461420430.db2.gz XGODPRDOWJPFSN-UFYCRDLUSA-N 2 1 338.536 3.203 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]CC3CCSCC3)CC2)oc1C ZINC000638523991 461467241 /nfs/dbraw/zinc/46/72/41/461467241.db2.gz LIJKPIKATMOXPZ-UHFFFAOYSA-N 2 1 337.533 3.236 20 0 EGADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC[C@H]2CCc3ccccc32)CC1 ZINC000659891570 461485809 /nfs/dbraw/zinc/48/58/09/461485809.db2.gz OTQQOAQPVWUYGN-YLJYHZDGSA-N 2 1 330.516 3.131 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]CCOC[C@H]3CCCO3)CC[N@@H+]2C2CC2)cc1 ZINC000638635658 461511680 /nfs/dbraw/zinc/51/16/80/461511680.db2.gz XPFQMKJVMKNKCS-NRSPTQNISA-N 2 1 344.499 3.140 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]CCOC[C@H]3CCCO3)CC[N@H+]2C2CC2)cc1 ZINC000638635658 461511690 /nfs/dbraw/zinc/51/16/90/461511690.db2.gz XPFQMKJVMKNKCS-NRSPTQNISA-N 2 1 344.499 3.140 20 0 EGADMP c1[nH]nc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000638665023 461521507 /nfs/dbraw/zinc/52/15/07/461521507.db2.gz XZOXKPIZDHIHIN-LQWHRVPQSA-N 2 1 336.483 3.225 20 0 EGADMP c1[nH]nc2c1C[C@H]([NH2+][C@H]1CC[N@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000638665023 461521512 /nfs/dbraw/zinc/52/15/12/461521512.db2.gz XZOXKPIZDHIHIN-LQWHRVPQSA-N 2 1 336.483 3.225 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000653168780 461533891 /nfs/dbraw/zinc/53/38/91/461533891.db2.gz QFDUKKDHEQPDLD-YTQUADARSA-N 2 1 335.536 3.007 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]CCCO[C@@H]3CCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000638741081 461557030 /nfs/dbraw/zinc/55/70/30/461557030.db2.gz DDMPSHDBNMTFMK-NRSPTQNISA-N 2 1 344.499 3.140 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]CCCO[C@@H]3CCOC3)CC[N@H+]2C2CC2)cc1 ZINC000638741081 461557039 /nfs/dbraw/zinc/55/70/39/461557039.db2.gz DDMPSHDBNMTFMK-NRSPTQNISA-N 2 1 344.499 3.140 20 0 EGADMP Clc1cc2c(c(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)c1)OCC2 ZINC000663344998 461574092 /nfs/dbraw/zinc/57/40/92/461574092.db2.gz DPVHSHWSOXXXID-HNNXBMFYSA-N 2 1 334.891 3.487 20 0 EGADMP Clc1cc2c(c(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)c1)OCC2 ZINC000663344998 461574096 /nfs/dbraw/zinc/57/40/96/461574096.db2.gz DPVHSHWSOXXXID-HNNXBMFYSA-N 2 1 334.891 3.487 20 0 EGADMP c1nc([C@@H]2CCCO2)sc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345640 461574409 /nfs/dbraw/zinc/57/44/09/461574409.db2.gz MFBRCMMCDGYTDC-WBVHZDCISA-N 2 1 335.517 3.206 20 0 EGADMP c1nc([C@@H]2CCCO2)sc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345640 461574416 /nfs/dbraw/zinc/57/44/16/461574416.db2.gz MFBRCMMCDGYTDC-WBVHZDCISA-N 2 1 335.517 3.206 20 0 EGADMP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+](CC3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000663347075 461578131 /nfs/dbraw/zinc/57/81/31/461578131.db2.gz ZCINKIYLZBWBTN-QIJUGHKUSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000663347075 461578142 /nfs/dbraw/zinc/57/81/42/461578142.db2.gz ZCINKIYLZBWBTN-QIJUGHKUSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000663347075 461578149 /nfs/dbraw/zinc/57/81/49/461578149.db2.gz ZCINKIYLZBWBTN-QIJUGHKUSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CN1Cc1ccccc1 ZINC000663347075 461578156 /nfs/dbraw/zinc/57/81/56/461578156.db2.gz ZCINKIYLZBWBTN-QIJUGHKUSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CN1Cc1ccccc1 ZINC000663347075 461578166 /nfs/dbraw/zinc/57/81/66/461578166.db2.gz ZCINKIYLZBWBTN-QIJUGHKUSA-N 2 1 341.543 3.361 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CCC(=O)N(C)c2ccccc2)c1 ZINC000663357318 461585986 /nfs/dbraw/zinc/58/59/86/461585986.db2.gz JQLDEKHTUOQGIZ-UHFFFAOYSA-N 2 1 339.483 3.281 20 0 EGADMP CC(C)n1cncc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631193215 461632251 /nfs/dbraw/zinc/63/22/51/461632251.db2.gz CAKWREBOAOBXQQ-PKOBYXMFSA-N 2 1 326.488 3.322 20 0 EGADMP CC(C)n1cncc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631193215 461632259 /nfs/dbraw/zinc/63/22/59/461632259.db2.gz CAKWREBOAOBXQQ-PKOBYXMFSA-N 2 1 326.488 3.322 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663466954 461654810 /nfs/dbraw/zinc/65/48/10/461654810.db2.gz CBZODALILONSBD-DOTOQJQBSA-N 2 1 332.488 3.476 20 0 EGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663470541 461660603 /nfs/dbraw/zinc/66/06/03/461660603.db2.gz VAWCITSZZQBOGT-PKOBYXMFSA-N 2 1 343.515 3.424 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(-n2cncn2)cc1 ZINC000663469601 461660699 /nfs/dbraw/zinc/66/06/99/461660699.db2.gz QYKDINSKPNDGQS-AEFFLSMTSA-N 2 1 339.487 3.040 20 0 EGADMP COC[C@@H](C[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1)OC ZINC000638973281 461663302 /nfs/dbraw/zinc/66/33/02/461663302.db2.gz YXWORIWQCWRBJI-CTNGQTDRSA-N 2 1 348.531 3.176 20 0 EGADMP c1cn2c(n1)C[C@@H]([NH2+][C@H]1CC[N@@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000639072635 461707169 /nfs/dbraw/zinc/70/71/69/461707169.db2.gz YFNQWQPKKVPABA-BJLQDIEVSA-N 2 1 336.483 3.156 20 0 EGADMP c1cn2c(n1)C[C@@H]([NH2+][C@H]1CC[N@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000639072635 461707177 /nfs/dbraw/zinc/70/71/77/461707177.db2.gz YFNQWQPKKVPABA-BJLQDIEVSA-N 2 1 336.483 3.156 20 0 EGADMP CC[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(OC)c2)CC[C@H]1[NH3+] ZINC000647497591 461735983 /nfs/dbraw/zinc/73/59/83/461735983.db2.gz NFMLXWGMDGEOFK-ZIAGYGMSSA-N 2 1 346.393 3.196 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(OC)c2)CC[C@H]1[NH3+] ZINC000647497591 461735991 /nfs/dbraw/zinc/73/59/91/461735991.db2.gz NFMLXWGMDGEOFK-ZIAGYGMSSA-N 2 1 346.393 3.196 20 0 EGADMP OC[C@H](CC1CCC1)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639123575 461743081 /nfs/dbraw/zinc/74/30/81/461743081.db2.gz NENQTUMNWQAYKI-IRFCIJBXSA-N 2 1 328.500 3.495 20 0 EGADMP OC[C@H](CC1CCC1)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639123575 461743090 /nfs/dbraw/zinc/74/30/90/461743090.db2.gz NENQTUMNWQAYKI-IRFCIJBXSA-N 2 1 328.500 3.495 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC[C@H]4CCCC[NH2+]4)[C@H]3C2)cc1 ZINC000643501649 461746697 /nfs/dbraw/zinc/74/66/97/461746697.db2.gz NCLYCIJPJNEXCO-WOZUAGRISA-N 2 1 327.516 3.019 20 0 EGADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000643499157 461746885 /nfs/dbraw/zinc/74/68/85/461746885.db2.gz YQHWUMQKWXCEJJ-WBVHZDCISA-N 2 1 338.467 3.424 20 0 EGADMP CC[NH2+]CCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000643499031 461747555 /nfs/dbraw/zinc/74/75/55/461747555.db2.gz NJZLQOHLEJDABQ-CQSZACIVSA-N 2 1 327.266 3.252 20 0 EGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000653596384 461749060 /nfs/dbraw/zinc/74/90/60/461749060.db2.gz RUTKPZHZHPUZKR-UHFFFAOYSA-N 2 1 331.435 3.173 20 0 EGADMP Fc1ccc(-n2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC000647542979 461755916 /nfs/dbraw/zinc/75/59/16/461755916.db2.gz FNODBJNBGBAGOU-ROUUACIJSA-N 2 1 342.462 3.223 20 0 EGADMP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543309 461755947 /nfs/dbraw/zinc/75/59/47/461755947.db2.gz KXIKVPVFYDJJGL-CVEARBPZSA-N 2 1 342.462 3.427 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@H](CN1CCCCC1)c1ccccc1 ZINC000653612369 461759271 /nfs/dbraw/zinc/75/92/71/461759271.db2.gz MSPWGWLQUQDLMT-HXUWFJFHSA-N 2 1 326.488 3.170 20 0 EGADMP Cc1cc(CO)cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[nH+]1 ZINC000663700883 461762525 /nfs/dbraw/zinc/76/25/25/461762525.db2.gz UXXRZINENSTKTI-APWZRJJASA-N 2 1 325.456 3.347 20 0 EGADMP Cc1cc(CO)cc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[nH+]1 ZINC000663700883 461762532 /nfs/dbraw/zinc/76/25/32/461762532.db2.gz UXXRZINENSTKTI-APWZRJJASA-N 2 1 325.456 3.347 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)CC1 ZINC000669692207 461768290 /nfs/dbraw/zinc/76/82/90/461768290.db2.gz GYMDLUZWMLMGEX-CVEARBPZSA-N 2 1 335.458 3.065 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3CN(Cc4cnc5ccccc5n4)C[C@H]3C2)cc1 ZINC000660446884 461783868 /nfs/dbraw/zinc/78/38/68/461783868.db2.gz IHJQPQLTBGXKIO-KDURUIRLSA-N 2 1 344.462 3.194 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647789582 461835446 /nfs/dbraw/zinc/83/54/46/461835446.db2.gz HNIXATZITOBOFK-CMCXCUNFSA-N 3 1 341.543 3.396 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1)c1ccccc1 ZINC000647883343 461869826 /nfs/dbraw/zinc/86/98/26/461869826.db2.gz GLXFMFPFCZAPDF-HXUWFJFHSA-N 2 1 343.515 3.051 20 0 EGADMP [NH3+]C1(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CCCC1 ZINC000656788725 461897016 /nfs/dbraw/zinc/89/70/16/461897016.db2.gz BTMUQQUVGKTCSB-UHFFFAOYSA-N 2 1 349.219 3.412 20 0 EGADMP Cc1ccc2cc(C[N@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)ccc2n1 ZINC000650707308 461899336 /nfs/dbraw/zinc/89/93/36/461899336.db2.gz CRLCOIWORFIVNU-IRFCIJBXSA-N 2 1 339.483 3.262 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000650706301 461900006 /nfs/dbraw/zinc/90/00/06/461900006.db2.gz ICYJZOKORRPALS-VBQJREDUSA-N 2 1 326.843 3.197 20 0 EGADMP COc1ccc([C@H](C)C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650707544 461901252 /nfs/dbraw/zinc/90/12/52/461901252.db2.gz IJJZGJWOQMJVRB-MJKGWSOKSA-N 2 1 332.488 3.017 20 0 EGADMP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@H]2CCOc3ccccc32)c1 ZINC000656790440 461901981 /nfs/dbraw/zinc/90/19/81/461901981.db2.gz SHVDQZUNMHWJTR-KPFFTGBYSA-N 2 1 340.442 3.427 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000666995129 461902701 /nfs/dbraw/zinc/90/27/01/461902701.db2.gz DQHVRSWCKMOHAD-HOJAQTOUSA-N 2 1 327.516 3.304 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)CCN1Cc1ccccc1 ZINC000666995129 461902708 /nfs/dbraw/zinc/90/27/08/461902708.db2.gz DQHVRSWCKMOHAD-HOJAQTOUSA-N 2 1 327.516 3.304 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C2 ZINC000650709305 461903403 /nfs/dbraw/zinc/90/34/03/461903403.db2.gz QBEXLDWSILZTIV-BBRMVZONSA-N 2 1 346.368 3.328 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C2 ZINC000650709305 461903407 /nfs/dbraw/zinc/90/34/07/461903407.db2.gz QBEXLDWSILZTIV-BBRMVZONSA-N 2 1 346.368 3.328 20 0 EGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1cc(-c3ccc(F)cc3)no1)C2 ZINC000660654814 461904577 /nfs/dbraw/zinc/90/45/77/461904577.db2.gz HKHWOQDTBCDEQX-IBGZPJMESA-N 2 1 329.419 3.398 20 0 EGADMP C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654854 461905650 /nfs/dbraw/zinc/90/56/50/461905650.db2.gz IJROGBNYFTVERJ-KDOFPFPSSA-N 2 1 335.879 3.085 20 0 EGADMP CSc1ccc(NC(=O)[C@H](C)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660655149 461906343 /nfs/dbraw/zinc/90/63/43/461906343.db2.gz KOIODGXQJDNFEW-KXBFYZLASA-N 2 1 347.528 3.153 20 0 EGADMP CC(C)Oc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650721984 461913391 /nfs/dbraw/zinc/91/33/91/461913391.db2.gz HYKNLEZOXMTYOE-DFQSSKMNSA-N 2 1 332.488 3.335 20 0 EGADMP Clc1cccc(-c2noc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000647970619 461913428 /nfs/dbraw/zinc/91/34/28/461913428.db2.gz FSGRXWPNIGJBIF-HNNXBMFYSA-N 2 1 346.862 3.212 20 0 EGADMP Cc1ccc2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)ccc2n1 ZINC000650723352 461914385 /nfs/dbraw/zinc/91/43/85/461914385.db2.gz MGWDQDKXGWKJIE-TYPHKJRUSA-N 2 1 339.483 3.404 20 0 EGADMP CC(C)(C)c1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000650722786 461914975 /nfs/dbraw/zinc/91/49/75/461914975.db2.gz BGOYDRAWLVJQQA-FVQBIDKESA-N 2 1 337.533 3.301 20 0 EGADMP CC(C)(C)c1nc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000650722786 461914980 /nfs/dbraw/zinc/91/49/80/461914980.db2.gz BGOYDRAWLVJQQA-FVQBIDKESA-N 2 1 337.533 3.301 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccnc3ccccc23)C1 ZINC000650723996 461915772 /nfs/dbraw/zinc/91/57/72/461915772.db2.gz WQQLAFZXJMIKSS-NSISKUIASA-N 2 1 325.456 3.096 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2F)C1 ZINC000650723642 461915890 /nfs/dbraw/zinc/91/58/90/461915890.db2.gz RHQBFKAQCMJNHP-PVAVHDDUSA-N 2 1 326.843 3.340 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000650723900 461916629 /nfs/dbraw/zinc/91/66/29/461916629.db2.gz VRCNEKOUQPZEDR-NEWSRXKRSA-N 2 1 341.455 3.202 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975329 461916679 /nfs/dbraw/zinc/91/66/79/461916679.db2.gz WIFKUCHHGXQMFZ-HZPDHXFCSA-N 2 1 349.906 3.299 20 0 EGADMP FC(F)(F)c1csc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647977800 461920635 /nfs/dbraw/zinc/92/06/35/461920635.db2.gz HRPWZNJDEPVJFI-VXGBXAGGSA-N 2 1 333.423 3.374 20 0 EGADMP FC(F)(F)c1csc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647977800 461920640 /nfs/dbraw/zinc/92/06/40/461920640.db2.gz HRPWZNJDEPVJFI-VXGBXAGGSA-N 2 1 333.423 3.374 20 0 EGADMP Cc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)no1 ZINC000647977702 461921126 /nfs/dbraw/zinc/92/11/26/461921126.db2.gz GMMFHRLCZLUEGQ-IAGOWNOFSA-N 2 1 340.471 3.257 20 0 EGADMP Cc1ccccc1-c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)no1 ZINC000647977702 461921131 /nfs/dbraw/zinc/92/11/31/461921131.db2.gz GMMFHRLCZLUEGQ-IAGOWNOFSA-N 2 1 340.471 3.257 20 0 EGADMP NC1(C[NH2+]Cc2cscc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000667057064 461931221 /nfs/dbraw/zinc/93/12/21/461931221.db2.gz GOODNQACGJAWFD-UHFFFAOYSA-N 2 1 349.931 3.485 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C[NH3+])cc1F ZINC000650751850 461932928 /nfs/dbraw/zinc/93/29/28/461932928.db2.gz CLPVYZNLZGQQHU-IIBYNOLFSA-N 2 1 341.474 3.285 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650751850 461932935 /nfs/dbraw/zinc/93/29/35/461932935.db2.gz CLPVYZNLZGQQHU-IIBYNOLFSA-N 2 1 341.474 3.285 20 0 EGADMP C[C@@H]1C[C@H](NCc2ccc(C[NH3+])cc2F)C[N@@H+]1Cc1ccccc1 ZINC000650753750 461935417 /nfs/dbraw/zinc/93/54/17/461935417.db2.gz UZXILFNVCQJJLW-BEFAXECRSA-N 2 1 327.447 3.037 20 0 EGADMP C[C@@H]1C[C@H](NCc2ccc(C[NH3+])cc2F)C[N@H+]1Cc1ccccc1 ZINC000650753750 461935424 /nfs/dbraw/zinc/93/54/24/461935424.db2.gz UZXILFNVCQJJLW-BEFAXECRSA-N 2 1 327.447 3.037 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC3CC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000650761806 461940581 /nfs/dbraw/zinc/94/05/81/461940581.db2.gz KXODQXDGNVLUDQ-FSSWDIPSSA-N 3 1 341.543 3.409 20 0 EGADMP c1ccc(CN2CC[C@H]([NH2+]CCC3CC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000650761806 461940585 /nfs/dbraw/zinc/94/05/85/461940585.db2.gz KXODQXDGNVLUDQ-FSSWDIPSSA-N 2 1 341.543 3.409 20 0 EGADMP Cc1nc(NCC2CC[NH+](Cc3ccncc3)CC2)c(C)c(C)[nH+]1 ZINC000664282452 462003395 /nfs/dbraw/zinc/00/33/95/462003395.db2.gz DKVGPMGAZREOQN-UHFFFAOYSA-N 2 1 325.460 3.121 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000644637124 462018037 /nfs/dbraw/zinc/01/80/37/462018037.db2.gz ABIVHQAUASUCGD-SLFFLAALSA-N 2 1 344.886 3.278 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000644637124 462018045 /nfs/dbraw/zinc/01/80/45/462018045.db2.gz ABIVHQAUASUCGD-SLFFLAALSA-N 2 1 344.886 3.278 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000644638601 462018285 /nfs/dbraw/zinc/01/82/85/462018285.db2.gz XMNLUZGDTQLLFI-HMXCVIKNSA-N 2 1 342.458 3.154 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000644638601 462018287 /nfs/dbraw/zinc/01/82/87/462018287.db2.gz XMNLUZGDTQLLFI-HMXCVIKNSA-N 2 1 342.458 3.154 20 0 EGADMP COCc1csc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000657292656 462021333 /nfs/dbraw/zinc/02/13/33/462021333.db2.gz BQNTUKQQCXXDTL-UHFFFAOYSA-N 2 1 346.496 3.017 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657293933 462023244 /nfs/dbraw/zinc/02/32/44/462023244.db2.gz XMYPLNAMQGYKPD-FXAWDEMLSA-N 2 1 332.488 3.208 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000657334251 462052639 /nfs/dbraw/zinc/05/26/39/462052639.db2.gz RNALULDLPOVOOI-MRXNPFEDSA-N 2 1 332.488 3.207 20 0 EGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(O[C@H](C)COC)cc2)CC1 ZINC000657336053 462054712 /nfs/dbraw/zinc/05/47/12/462054712.db2.gz OKACZHZTOVHLEI-QGZVFWFLSA-N 2 1 334.504 3.454 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(F)c(F)c2F)C[C@H](C)O1 ZINC000657367108 462076396 /nfs/dbraw/zinc/07/63/96/462076396.db2.gz LWOSYGBXRYVAON-BETUJISGSA-N 2 1 330.394 3.083 20 0 EGADMP Cc1cccc2[nH]c(C[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cc21 ZINC000657372929 462079901 /nfs/dbraw/zinc/07/99/01/462079901.db2.gz LXHWYEWNQUZDRT-JOCHJYFZSA-N 2 1 349.478 3.203 20 0 EGADMP Cc1cccc2[nH]c(C[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc21 ZINC000657372929 462079905 /nfs/dbraw/zinc/07/99/05/462079905.db2.gz LXHWYEWNQUZDRT-JOCHJYFZSA-N 2 1 349.478 3.203 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnc3n2CCC3)C[N@H+]1Cc1ccccc1 ZINC000657414568 462107851 /nfs/dbraw/zinc/10/78/51/462107851.db2.gz BSUWQIZXWVSUQN-IEBWSBKVSA-N 2 1 338.499 3.220 20 0 EGADMP CC[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CCO1 ZINC000648445341 462121895 /nfs/dbraw/zinc/12/18/95/462121895.db2.gz HQBQROMSESYFBT-MSOLQXFVSA-N 2 1 335.492 3.051 20 0 EGADMP OC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCCC1 ZINC000651228809 462146004 /nfs/dbraw/zinc/14/60/04/462146004.db2.gz DIQDHCMDVXHRRE-XUVXKRRUSA-N 2 1 328.500 3.324 20 0 EGADMP c1cc(O[C@H]2CCOC2)ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000667658722 462194960 /nfs/dbraw/zinc/19/49/60/462194960.db2.gz OUINPHRUCMUWLG-CTNGQTDRSA-N 2 1 344.499 3.305 20 0 EGADMP c1cc(O[C@H]2CCOC2)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000667658722 462194968 /nfs/dbraw/zinc/19/49/68/462194968.db2.gz OUINPHRUCMUWLG-CTNGQTDRSA-N 2 1 344.499 3.305 20 0 EGADMP c1cc(O[C@@H]2CCOC2)ccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000667658724 462194981 /nfs/dbraw/zinc/19/49/81/462194981.db2.gz OUINPHRUCMUWLG-PZJWPPBQSA-N 2 1 344.499 3.305 20 0 EGADMP c1cc(O[C@@H]2CCOC2)ccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000667658724 462194984 /nfs/dbraw/zinc/19/49/84/462194984.db2.gz OUINPHRUCMUWLG-PZJWPPBQSA-N 2 1 344.499 3.305 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000667663401 462197952 /nfs/dbraw/zinc/19/79/52/462197952.db2.gz MQIVCPQJGMYPHR-MJGOQNOKSA-N 2 1 332.488 3.018 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000667663401 462197959 /nfs/dbraw/zinc/19/79/59/462197959.db2.gz MQIVCPQJGMYPHR-MJGOQNOKSA-N 2 1 332.488 3.018 20 0 EGADMP C[NH+](C)CCOc1ccc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000657675449 462225607 /nfs/dbraw/zinc/22/56/07/462225607.db2.gz VGYPYPBQTMHHFM-LJQANCHMSA-N 2 1 345.531 3.124 20 0 EGADMP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)cc1 ZINC000657675449 462225612 /nfs/dbraw/zinc/22/56/12/462225612.db2.gz VGYPYPBQTMHHFM-LJQANCHMSA-N 2 1 345.531 3.124 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657836988 462289296 /nfs/dbraw/zinc/28/92/96/462289296.db2.gz WOAVJIGWBRFFBK-OAHLLOKOSA-N 2 1 340.462 3.088 20 0 EGADMP C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000651678657 462300861 /nfs/dbraw/zinc/30/08/61/462300861.db2.gz YEBKHRLYCUDPMW-YLJYHZDGSA-N 2 1 343.515 3.133 20 0 EGADMP OCC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2c2ccccc2Cl)CC1 ZINC000657942941 462324635 /nfs/dbraw/zinc/32/46/35/462324635.db2.gz GHYUXILKBWIBDT-HKUYNNGSSA-N 2 1 336.907 3.413 20 0 EGADMP c1cnc(N2CCCC2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000665236786 462363401 /nfs/dbraw/zinc/36/34/01/462363401.db2.gz UGLJNOOAOYZTCO-CEXWTWQISA-N 2 1 328.504 3.082 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1[NH2+]CC1(C)C)C1CCCCC1 ZINC000645671107 462390961 /nfs/dbraw/zinc/39/09/61/462390961.db2.gz ABLVYCYSMJSFGB-IBGZPJMESA-N 2 1 343.515 3.065 20 0 EGADMP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532043 462431004 /nfs/dbraw/zinc/43/10/04/462431004.db2.gz UFXHLVRQFLAYPX-KRWDZBQOSA-N 2 1 349.494 3.028 20 0 EGADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000640533144 462431716 /nfs/dbraw/zinc/43/17/16/462431716.db2.gz NKWMDHHVZGGWBP-UHFFFAOYSA-N 2 1 328.460 3.033 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000640533144 462431723 /nfs/dbraw/zinc/43/17/23/462431723.db2.gz NKWMDHHVZGGWBP-UHFFFAOYSA-N 2 1 328.460 3.033 20 0 EGADMP OC1(C(F)(F)F)CCC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000658228311 462434742 /nfs/dbraw/zinc/43/47/42/462434742.db2.gz HMSRZHPRTWMZLA-BBBYJDLNSA-N 2 1 334.426 3.219 20 0 EGADMP OC1(C(F)(F)F)CCC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000658228311 462434747 /nfs/dbraw/zinc/43/47/47/462434747.db2.gz HMSRZHPRTWMZLA-BBBYJDLNSA-N 2 1 334.426 3.219 20 0 EGADMP CCC[N@H+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000658286772 462455603 /nfs/dbraw/zinc/45/56/03/462455603.db2.gz UZEFZGCDPDOQGO-BURNTYAHSA-N 2 1 327.516 3.256 20 0 EGADMP CCC[NH+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000658286772 462455606 /nfs/dbraw/zinc/45/56/06/462455606.db2.gz UZEFZGCDPDOQGO-BURNTYAHSA-N 2 1 327.516 3.256 20 0 EGADMP CCC[NH+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000658286772 462455609 /nfs/dbraw/zinc/45/56/09/462455609.db2.gz UZEFZGCDPDOQGO-BURNTYAHSA-N 2 1 327.516 3.256 20 0 EGADMP FC1(F)C[C@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CCN2C1 ZINC000645936134 462474343 /nfs/dbraw/zinc/47/43/43/462474343.db2.gz DMVQNPKJBOMRAV-IBGZPJMESA-N 2 1 349.469 3.198 20 0 EGADMP FC1(F)C[C@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CCN2C1 ZINC000645936134 462474350 /nfs/dbraw/zinc/47/43/50/462474350.db2.gz DMVQNPKJBOMRAV-IBGZPJMESA-N 2 1 349.469 3.198 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)[C@H](C)C1 ZINC000658350241 462485881 /nfs/dbraw/zinc/48/58/81/462485881.db2.gz XCRXVQSWQJECPG-UIFIKXQLSA-N 2 1 346.515 3.202 20 0 EGADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1C ZINC000646102867 462518742 /nfs/dbraw/zinc/51/87/42/462518742.db2.gz VFHJEAWNPTTYCD-UHFFFAOYSA-N 2 1 344.499 3.111 20 0 EGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1C ZINC000646102867 462518744 /nfs/dbraw/zinc/51/87/44/462518744.db2.gz VFHJEAWNPTTYCD-UHFFFAOYSA-N 2 1 344.499 3.111 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)[C@H](C)C1 ZINC000174628823 527802399 /nfs/dbraw/zinc/80/23/99/527802399.db2.gz MRJXDMLBHGRBJC-CZUORRHYSA-N 2 1 330.394 3.448 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000131274623 527858773 /nfs/dbraw/zinc/85/87/73/527858773.db2.gz XMIXINMWPJWKNA-VQTJNVASSA-N 2 1 343.515 3.156 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC000191456775 529041006 /nfs/dbraw/zinc/04/10/06/529041006.db2.gz HSOYSGRWSQGRMD-FQEVSTJZSA-N 2 1 333.495 3.379 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2cccc(F)c2)C2CC2)CC1 ZINC000191455009 529042034 /nfs/dbraw/zinc/04/20/34/529042034.db2.gz RGWJDRMPVRLLLH-UHFFFAOYSA-N 2 1 333.495 3.206 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000338152963 535601986 /nfs/dbraw/zinc/60/19/86/535601986.db2.gz ZYBNTZCLEKDLLO-ZWKOTPCHSA-N 2 1 345.531 3.379 20 0 EGADMP C[N@H+](C[C@@H](O)c1ccc(F)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266527958 536420344 /nfs/dbraw/zinc/42/03/44/536420344.db2.gz FABYKLONFANGGE-WIYYLYMNSA-N 2 1 342.458 3.313 20 0 EGADMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266527958 536420345 /nfs/dbraw/zinc/42/03/45/536420345.db2.gz FABYKLONFANGGE-WIYYLYMNSA-N 2 1 342.458 3.313 20 0 EGADMP C[NH+](C[C@@H](O)c1ccc(F)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266527958 536420347 /nfs/dbraw/zinc/42/03/47/536420347.db2.gz FABYKLONFANGGE-WIYYLYMNSA-N 2 1 342.458 3.313 20 0 EGADMP C[NH+](C[C@@H](O)c1ccc(F)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266527958 536420349 /nfs/dbraw/zinc/42/03/49/536420349.db2.gz FABYKLONFANGGE-WIYYLYMNSA-N 2 1 342.458 3.313 20 0 EGADMP OCc1ccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000126267134 546758248 /nfs/dbraw/zinc/75/82/48/546758248.db2.gz UUASTLUMCURYBQ-UHFFFAOYSA-N 2 1 338.495 3.018 20 0 EGADMP C[N@@H+](CCC1CCOCC1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000129697132 546790610 /nfs/dbraw/zinc/79/06/10/546790610.db2.gz JYGNAZMKFJECOY-UHFFFAOYSA-N 2 1 346.515 3.410 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000158005468 546924895 /nfs/dbraw/zinc/92/48/95/546924895.db2.gz QYVHWLMGYVJVNX-UHFFFAOYSA-N 2 1 346.906 3.005 20 0 EGADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166350338 546987079 /nfs/dbraw/zinc/98/70/79/546987079.db2.gz XKDOZPCVGDVOSD-TZIWHRDSSA-N 2 1 338.499 3.330 20 0 EGADMP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000166525248 546990130 /nfs/dbraw/zinc/99/01/30/546990130.db2.gz FSUQBSSYWZWBBP-DLBZAZTESA-N 2 1 332.488 3.198 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000178485750 547038264 /nfs/dbraw/zinc/03/82/64/547038264.db2.gz ZBYREVDUVAEPIZ-KRWDZBQOSA-N 2 1 338.492 3.453 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000179678861 547048893 /nfs/dbraw/zinc/04/88/93/547048893.db2.gz KSWRJYVZGFNRHD-UHFFFAOYSA-N 2 1 349.519 3.124 20 0 EGADMP OCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000248445665 547299174 /nfs/dbraw/zinc/29/91/74/547299174.db2.gz CESUCOOTVHRDNV-HSALFYBXSA-N 2 1 328.500 3.039 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CC2 ZINC000279994232 547368948 /nfs/dbraw/zinc/36/89/48/547368948.db2.gz FNGTWDDYNHXCEQ-SFHVURJKSA-N 2 1 330.472 3.298 20 0 EGADMP C[C@H](C[NH2+][C@H]1CCCOc2cc(Br)ccc21)C[NH+](C)C ZINC000312512808 547463640 /nfs/dbraw/zinc/46/36/40/547463640.db2.gz NINJCSGAGQSPLL-DOMZBBRYSA-N 2 1 341.293 3.450 20 0 EGADMP Cn1cc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000314456784 547464246 /nfs/dbraw/zinc/46/42/46/547464246.db2.gz GTACVWLQDAUZDU-FQEVSTJZSA-N 2 1 340.515 3.243 20 0 EGADMP Cn1cc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000314456784 547464252 /nfs/dbraw/zinc/46/42/52/547464252.db2.gz GTACVWLQDAUZDU-FQEVSTJZSA-N 2 1 340.515 3.243 20 0 EGADMP CC1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000339068057 547569305 /nfs/dbraw/zinc/56/93/05/547569305.db2.gz JQUSSOUIFZZKRD-OALUTQOASA-N 2 1 328.504 3.034 20 0 EGADMP CC1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000339068057 547569310 /nfs/dbraw/zinc/56/93/10/547569310.db2.gz JQUSSOUIFZZKRD-OALUTQOASA-N 2 1 328.504 3.034 20 0 EGADMP CCN1C[C@H](C)[C@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000343468115 547602776 /nfs/dbraw/zinc/60/27/76/547602776.db2.gz HDHXPQRDRFHNDK-LVCYWYKZSA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C1 ZINC000343468115 547602778 /nfs/dbraw/zinc/60/27/78/547602778.db2.gz HDHXPQRDRFHNDK-LVCYWYKZSA-N 3 1 329.532 3.348 20 0 EGADMP CC[N@H+]1C[C@H](C)[C@H](NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C1 ZINC000343468115 547602780 /nfs/dbraw/zinc/60/27/80/547602780.db2.gz HDHXPQRDRFHNDK-LVCYWYKZSA-N 3 1 329.532 3.348 20 0 EGADMP CC[NH+]1C[C@H](C)[C@H](NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000343468115 547602782 /nfs/dbraw/zinc/60/27/82/547602782.db2.gz HDHXPQRDRFHNDK-LVCYWYKZSA-N 3 1 329.532 3.348 20 0 EGADMP CC[NH+]1C[C@H](C)[C@H](NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000343468115 547602784 /nfs/dbraw/zinc/60/27/84/547602784.db2.gz HDHXPQRDRFHNDK-LVCYWYKZSA-N 3 1 329.532 3.348 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)CC1 ZINC000354148133 547703877 /nfs/dbraw/zinc/70/38/77/547703877.db2.gz WNQRCKQHHAVNCN-NFOMZHRRSA-N 2 1 336.442 3.444 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398111920 547837509 /nfs/dbraw/zinc/83/75/09/547837509.db2.gz DJCSHUJWNMECBO-YSIASYRMSA-N 2 1 345.531 3.024 20 0 EGADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c(OC)cccc2OC)c1 ZINC000671708297 548338553 /nfs/dbraw/zinc/33/85/53/548338553.db2.gz FEQJZJDPVIBKLS-UHFFFAOYSA-N 2 1 328.456 3.445 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(OC)cccc2OC)c1 ZINC000671708297 548338557 /nfs/dbraw/zinc/33/85/57/548338557.db2.gz FEQJZJDPVIBKLS-UHFFFAOYSA-N 2 1 328.456 3.445 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1c(F)cncc1F ZINC000671730656 548345253 /nfs/dbraw/zinc/34/52/53/548345253.db2.gz BMGYBIWGBFDLLH-ZDUSSCGKSA-N 2 1 335.398 3.151 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)o1 ZINC000673942478 548658680 /nfs/dbraw/zinc/65/86/80/548658680.db2.gz WJDASFDWYAGMLD-UHFFFAOYSA-N 2 1 347.503 3.212 20 0 EGADMP CCOc1cccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000675883284 548996633 /nfs/dbraw/zinc/99/66/33/548996633.db2.gz ZHUIOZWJMXQYER-OXQOHEQNSA-N 2 1 332.488 3.379 20 0 EGADMP COc1ccc(-c2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)on2)cc1 ZINC000675897558 548999407 /nfs/dbraw/zinc/99/94/07/548999407.db2.gz DLEYHRGOBWEAME-JXFKEZNVSA-N 2 1 341.455 3.266 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)on2)cc1 ZINC000675897558 548999412 /nfs/dbraw/zinc/99/94/12/548999412.db2.gz DLEYHRGOBWEAME-JXFKEZNVSA-N 2 1 341.455 3.266 20 0 EGADMP COc1ccc(-c2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)on2)cc1 ZINC000675897558 548999416 /nfs/dbraw/zinc/99/94/16/548999416.db2.gz DLEYHRGOBWEAME-JXFKEZNVSA-N 2 1 341.455 3.266 20 0 EGADMP COc1ccc(-c2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)on2)cc1 ZINC000675897558 548999421 /nfs/dbraw/zinc/99/94/21/548999421.db2.gz DLEYHRGOBWEAME-JXFKEZNVSA-N 2 1 341.455 3.266 20 0 EGADMP CC[C@@H](Cc1cccs1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000675898502 549000687 /nfs/dbraw/zinc/00/06/87/549000687.db2.gz SBOTZUFMADXQMO-AZUAARDMSA-N 2 1 344.524 3.296 20 0 EGADMP CC[C@@H](Cc1cccs1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000675898502 549000689 /nfs/dbraw/zinc/00/06/89/549000689.db2.gz SBOTZUFMADXQMO-AZUAARDMSA-N 2 1 344.524 3.296 20 0 EGADMP Cc1ncc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)s1 ZINC000676069453 549032408 /nfs/dbraw/zinc/03/24/08/549032408.db2.gz OWTQGHZLFLCMJU-CYBMUJFWSA-N 2 1 334.489 3.028 20 0 EGADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(CO)o2)C[N@H+]1Cc1ccccc1 ZINC000677129217 549214655 /nfs/dbraw/zinc/21/46/55/549214655.db2.gz OEXNWTRUTCDFDN-WMZOPIPTSA-N 2 1 328.456 3.162 20 0 EGADMP C[C@@H]1[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCOC1(C)C ZINC000678271151 549453042 /nfs/dbraw/zinc/45/30/42/549453042.db2.gz PDYXHZFRRYFWDC-KRWDZBQOSA-N 2 1 332.488 3.161 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(OC)c2)C1 ZINC000678281745 549458099 /nfs/dbraw/zinc/45/80/99/549458099.db2.gz BQHVIUWUBSWTNE-MRXNPFEDSA-N 2 1 342.487 3.249 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(OC)c2)C1 ZINC000678281745 549458101 /nfs/dbraw/zinc/45/81/01/549458101.db2.gz BQHVIUWUBSWTNE-MRXNPFEDSA-N 2 1 342.487 3.249 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000678281983 549459153 /nfs/dbraw/zinc/45/91/53/549459153.db2.gz KOVDDQAVDJOLLQ-OALUTQOASA-N 2 1 334.529 3.487 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000678286380 549460267 /nfs/dbraw/zinc/46/02/67/549460267.db2.gz SOCZPKQHDYWQTF-LAUBAEHRSA-N 2 1 327.516 3.022 20 0 EGADMP CO[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000680004055 549804759 /nfs/dbraw/zinc/80/47/59/549804759.db2.gz WQKJSZJCDAYNMH-IBGZPJMESA-N 2 1 332.488 3.162 20 0 EGADMP Cc1cccc([C@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)Cc3ccccc3)C2)c1 ZINC000680107817 549821161 /nfs/dbraw/zinc/82/11/61/549821161.db2.gz JEDSRJBVURVPSP-VXKWHMMOSA-N 2 1 338.495 3.277 20 0 EGADMP Cc1cccc([C@H]2CC[NH+](C[C@@H](O)C[N@H+](C)Cc3ccccc3)C2)c1 ZINC000680107817 549821163 /nfs/dbraw/zinc/82/11/63/549821163.db2.gz JEDSRJBVURVPSP-VXKWHMMOSA-N 2 1 338.495 3.277 20 0 EGADMP Cc1cccc([C@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)Cc3ccccc3)C2)c1 ZINC000680107817 549821164 /nfs/dbraw/zinc/82/11/64/549821164.db2.gz JEDSRJBVURVPSP-VXKWHMMOSA-N 2 1 338.495 3.277 20 0 EGADMP Cc1cccc([C@H]2CC[N@H+](C[C@@H](O)C[NH+](C)Cc3ccccc3)C2)c1 ZINC000680107817 549821166 /nfs/dbraw/zinc/82/11/66/549821166.db2.gz JEDSRJBVURVPSP-VXKWHMMOSA-N 2 1 338.495 3.277 20 0 EGADMP Cc1cccc([C@@H]2CC[NH+](C[C@H](O)C[N@@H+](C)Cc3ccccc3)C2)c1 ZINC000680107813 549821266 /nfs/dbraw/zinc/82/12/66/549821266.db2.gz JEDSRJBVURVPSP-FGZHOGPDSA-N 2 1 338.495 3.277 20 0 EGADMP Cc1cccc([C@@H]2CC[NH+](C[C@H](O)C[N@H+](C)Cc3ccccc3)C2)c1 ZINC000680107813 549821267 /nfs/dbraw/zinc/82/12/67/549821267.db2.gz JEDSRJBVURVPSP-FGZHOGPDSA-N 2 1 338.495 3.277 20 0 EGADMP Cc1cccc([C@@H]2CC[N@@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)C2)c1 ZINC000680107813 549821269 /nfs/dbraw/zinc/82/12/69/549821269.db2.gz JEDSRJBVURVPSP-FGZHOGPDSA-N 2 1 338.495 3.277 20 0 EGADMP Cc1cccc([C@@H]2CC[N@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)C2)c1 ZINC000680107813 549821271 /nfs/dbraw/zinc/82/12/71/549821271.db2.gz JEDSRJBVURVPSP-FGZHOGPDSA-N 2 1 338.495 3.277 20 0 EGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000683818313 550264717 /nfs/dbraw/zinc/26/47/17/550264717.db2.gz GAHKWPWWMFDHLJ-PXNSSMCTSA-N 2 1 334.504 3.242 20 0 EGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000685452075 550417659 /nfs/dbraw/zinc/41/76/59/550417659.db2.gz UKOVUUUYEUOOPK-UHFFFAOYSA-N 2 1 336.277 3.381 20 0 EGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000685452075 550417662 /nfs/dbraw/zinc/41/76/62/550417662.db2.gz UKOVUUUYEUOOPK-UHFFFAOYSA-N 2 1 336.277 3.381 20 0 EGADMP C[C@H](CC1CCCCC1)C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000685453961 550418470 /nfs/dbraw/zinc/41/84/70/550418470.db2.gz IHNXAGSLYHPILQ-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H](CC1CCCCC1)C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000685453962 550418633 /nfs/dbraw/zinc/41/86/33/550418633.db2.gz IHNXAGSLYHPILQ-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)c1ccc(CC[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000685457163 550419171 /nfs/dbraw/zinc/41/91/71/550419171.db2.gz HOKAIWTVZDXBKH-QFIPXVFZSA-N 2 1 343.559 3.453 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C(C)(C)n1cncn1 ZINC000685648166 550435993 /nfs/dbraw/zinc/43/59/93/550435993.db2.gz WKOWUHBWAJGHHD-ZMSDIMECSA-N 2 1 347.532 3.136 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(C)(C)n1cncn1 ZINC000685648166 550435995 /nfs/dbraw/zinc/43/59/95/550435995.db2.gz WKOWUHBWAJGHHD-ZMSDIMECSA-N 2 1 347.532 3.136 20 0 EGADMP Cc1ccc(-n2cc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)c(C(C)(C)C)n2)cc1 ZINC000678342688 576167192 /nfs/dbraw/zinc/16/71/92/576167192.db2.gz CSBFXVARIVFVTM-IRXDYDNUSA-N 2 1 338.499 3.129 20 0 EGADMP Cc1cc2ncn(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c2cc1C ZINC000742169522 576754743 /nfs/dbraw/zinc/75/47/43/576754743.db2.gz RXXLKNLOFSJFTM-GOSISDBHSA-N 2 1 326.488 3.418 20 0 EGADMP Cc1cc2ncn(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c2cc1C ZINC000742169522 576754744 /nfs/dbraw/zinc/75/47/44/576754744.db2.gz RXXLKNLOFSJFTM-GOSISDBHSA-N 2 1 326.488 3.418 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000305892638 1297064671 /nfs/dbraw/zinc/06/46/71/1297064671.db2.gz FHPWFOGADCKQJQ-MRXNPFEDSA-N 2 1 341.540 3.342 20 0 EGADMP c1c(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000687959445 1298121384 /nfs/dbraw/zinc/12/13/84/1298121384.db2.gz LTXBXKACMUOCJI-KRWDZBQOSA-N 2 1 342.508 3.433 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2[C@H]3CCC[NH2+][C@@H]3C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000693733552 1298150713 /nfs/dbraw/zinc/15/07/13/1298150713.db2.gz AKYSXEMJIJOQDU-BVJIBDCISA-N 2 1 341.543 3.406 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000695193340 1298157199 /nfs/dbraw/zinc/15/71/99/1298157199.db2.gz QWAZOQYJGNQSKU-NVXWUHKLSA-N 2 1 339.524 3.096 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000067222816 1292154338 /nfs/dbraw/zinc/15/43/38/1292154338.db2.gz GNCSGVGJLAKHJJ-SFHVURJKSA-N 2 1 326.488 3.311 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000067222816 1292154345 /nfs/dbraw/zinc/15/43/45/1292154345.db2.gz GNCSGVGJLAKHJJ-SFHVURJKSA-N 2 1 326.488 3.311 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000069160396 1292232732 /nfs/dbraw/zinc/23/27/32/1292232732.db2.gz USQKUIWCHWCCNC-FQEVSTJZSA-N 2 1 340.515 3.370 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000069160396 1292232738 /nfs/dbraw/zinc/23/27/38/1292232738.db2.gz USQKUIWCHWCCNC-FQEVSTJZSA-N 2 1 340.515 3.370 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000069160235 1292232874 /nfs/dbraw/zinc/23/28/74/1292232874.db2.gz GKLLENLLNWGQQN-OAHLLOKOSA-N 2 1 330.394 3.449 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000069160398 1292233488 /nfs/dbraw/zinc/23/34/88/1292233488.db2.gz JSNGDCKCCSQEAR-GOSISDBHSA-N 2 1 326.488 3.311 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000069160398 1292233495 /nfs/dbraw/zinc/23/34/95/1292233495.db2.gz JSNGDCKCCSQEAR-GOSISDBHSA-N 2 1 326.488 3.311 20 0 EGADMP Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1C ZINC000069785297 1292252913 /nfs/dbraw/zinc/25/29/13/1292252913.db2.gz FKUUKBLRONQSNH-UHFFFAOYSA-N 2 1 337.511 3.341 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000072725743 1292289305 /nfs/dbraw/zinc/28/93/05/1292289305.db2.gz ITJXWLQGNBIRGB-UHFFFAOYSA-N 2 1 328.504 3.226 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000075733789 1292407372 /nfs/dbraw/zinc/40/73/72/1292407372.db2.gz FLPFEQRDVWZPGM-UHFFFAOYSA-N 2 1 327.472 3.338 20 0 EGADMP FC(F)(F)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000076763232 1292440957 /nfs/dbraw/zinc/44/09/57/1292440957.db2.gz JOMFRZVGWQAJHI-HNNXBMFYSA-N 2 1 342.405 3.296 20 0 EGADMP C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH3+])c2)[C@@H]1c1cccs1 ZINC000830384009 1292715214 /nfs/dbraw/zinc/71/52/14/1292715214.db2.gz ZDIFYBSYVGMXIO-FUHWJXTLSA-N 2 1 343.496 3.020 20 0 EGADMP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1c(F)cccc1F ZINC000090078715 1292786445 /nfs/dbraw/zinc/78/64/45/1292786445.db2.gz UNFBUMISJXOCHA-GOSISDBHSA-N 2 1 338.442 3.385 20 0 EGADMP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]Cc3cccc4c3OCO4)C2)cc1 ZINC000103173759 1292996737 /nfs/dbraw/zinc/99/67/37/1292996737.db2.gz NFSOTVIRUKLWFO-GOSISDBHSA-N 2 1 338.451 3.070 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]Cc3cccc4c3OCO4)C2)cc1 ZINC000103173759 1292996747 /nfs/dbraw/zinc/99/67/47/1292996747.db2.gz NFSOTVIRUKLWFO-GOSISDBHSA-N 2 1 338.451 3.070 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000105457176 1293036161 /nfs/dbraw/zinc/03/61/61/1293036161.db2.gz JWIRONOKFVTESE-MRXNPFEDSA-N 2 1 342.487 3.295 20 0 EGADMP CC1([NH+]2CCC2)CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000834784213 1293148089 /nfs/dbraw/zinc/14/80/89/1293148089.db2.gz ZYUOFGRHKXTCOP-BIXGBWIQSA-N 2 1 347.547 3.307 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000128251116 1293587097 /nfs/dbraw/zinc/58/70/97/1293587097.db2.gz BVDIFBBHRPMBFF-HRTMPFAESA-N 2 1 336.479 3.289 20 0 EGADMP O=c1oc2ccccc2n1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000155084878 1294083564 /nfs/dbraw/zinc/08/35/64/1294083564.db2.gz XNZGYSMWCFYMCM-UHFFFAOYSA-N 2 1 343.471 3.140 20 0 EGADMP Cc1oc2ccccc2c1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000155957019 1294120462 /nfs/dbraw/zinc/12/04/62/1294120462.db2.gz UDPAMZTWJXSBGV-MRXNPFEDSA-N 2 1 328.456 3.332 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000156615847 1294151009 /nfs/dbraw/zinc/15/10/09/1294151009.db2.gz GDKHLSQLBOMNFJ-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000156615847 1294151013 /nfs/dbraw/zinc/15/10/13/1294151013.db2.gz GDKHLSQLBOMNFJ-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000156615847 1294151016 /nfs/dbraw/zinc/15/10/16/1294151016.db2.gz GDKHLSQLBOMNFJ-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC000158734739 1294213786 /nfs/dbraw/zinc/21/37/86/1294213786.db2.gz ACVBKGSYVVPXAK-QGZVFWFLSA-N 2 1 343.515 3.019 20 0 EGADMP COCOc1ccc(OC)cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000163440797 1294333745 /nfs/dbraw/zinc/33/37/45/1294333745.db2.gz VYFBDRLKHDSZCE-UHFFFAOYSA-N 2 1 336.476 3.077 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000164587327 1294349912 /nfs/dbraw/zinc/34/99/12/1294349912.db2.gz XIUZMEUXIJKEEU-AHRSYUTCSA-N 2 1 343.515 3.195 20 0 EGADMP C[C@H]([NH2+]CC1CCC2(CC1)OCCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000190333988 1295584324 /nfs/dbraw/zinc/58/43/24/1295584324.db2.gz RNSZQWQOYKQFAJ-FUHWJXTLSA-N 2 1 336.520 3.162 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000870124898 1295681138 /nfs/dbraw/zinc/68/11/38/1295681138.db2.gz ABJYDYMZZWZIFL-LJQANCHMSA-N 2 1 343.515 3.158 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC[NH2+]CC3CC3)cc2)C1 ZINC000870865961 1296121242 /nfs/dbraw/zinc/12/12/42/1296121242.db2.gz IQZWBDMLGOFSIG-INIZCTEOSA-N 2 1 329.488 3.247 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000237847385 1296267902 /nfs/dbraw/zinc/26/79/02/1296267902.db2.gz GGEDGKHGTIHLSF-UHFFFAOYSA-N 2 1 338.499 3.453 20 0 EGADMP Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000247220139 1296385771 /nfs/dbraw/zinc/38/57/71/1296385771.db2.gz CRVYDSSNVHXPQN-FPOVZHCZSA-N 2 1 330.516 3.472 20 0 EGADMP Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000247220139 1296385784 /nfs/dbraw/zinc/38/57/84/1296385784.db2.gz CRVYDSSNVHXPQN-FPOVZHCZSA-N 2 1 330.516 3.472 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261538175 1296594051 /nfs/dbraw/zinc/59/40/51/1296594051.db2.gz NLFBLYFONNBMLP-XSDIEEQYSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261538175 1296594062 /nfs/dbraw/zinc/59/40/62/1296594062.db2.gz NLFBLYFONNBMLP-XSDIEEQYSA-N 2 1 327.516 3.161 20 0 EGADMP c1coc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000261701732 1296599795 /nfs/dbraw/zinc/59/97/95/1296599795.db2.gz OSGNUZFNPJSPNQ-MANSERQUSA-N 2 1 331.504 3.317 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1OCC ZINC000261922235 1296607110 /nfs/dbraw/zinc/60/71/10/1296607110.db2.gz BSCBZYXCFVBTNH-UHFFFAOYSA-N 2 1 332.488 3.450 20 0 EGADMP CCOc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1OC(F)F ZINC000261998269 1296615538 /nfs/dbraw/zinc/61/55/38/1296615538.db2.gz LCGNJYADTRARSV-UHFFFAOYSA-N 2 1 340.414 3.262 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCc1c[nH+]cn1C)CCCC2 ZINC000872063696 1296710575 /nfs/dbraw/zinc/71/05/75/1296710575.db2.gz SBLKHIBCSVQLOA-KRWDZBQOSA-N 2 1 329.444 3.037 20 0 EGADMP CC(C)(C)c1noc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156419 1296776363 /nfs/dbraw/zinc/77/63/63/1296776363.db2.gz JGVQGIZEZPUQCN-GOEBONIOSA-N 2 1 334.508 3.487 20 0 EGADMP CC(C)(C)c1noc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156419 1296776377 /nfs/dbraw/zinc/77/63/77/1296776377.db2.gz JGVQGIZEZPUQCN-GOEBONIOSA-N 2 1 334.508 3.487 20 0 EGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000305344546 1297010073 /nfs/dbraw/zinc/01/00/73/1297010073.db2.gz XPHHNACDZGXEKH-DLBZAZTESA-N 2 1 341.540 3.484 20 0 EGADMP CO[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308387359 1297069527 /nfs/dbraw/zinc/06/95/27/1297069527.db2.gz FTDZCBPMJWSEKQ-VAMGGRTRSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000309964182 1297080883 /nfs/dbraw/zinc/08/08/83/1297080883.db2.gz JYTZPDOJPGFPES-OAHLLOKOSA-N 2 1 327.513 3.144 20 0 EGADMP CCOC(=O)/C=C\C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000310969251 1297104141 /nfs/dbraw/zinc/10/41/41/1297104141.db2.gz HUOLGUIUBUWBAQ-TWGQIWQCSA-N 2 1 342.483 3.094 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204381 1297349951 /nfs/dbraw/zinc/34/99/51/1297349951.db2.gz COWYCMOWRYFRGI-IAGOWNOFSA-N 3 1 347.572 3.480 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204381 1297349963 /nfs/dbraw/zinc/34/99/63/1297349963.db2.gz COWYCMOWRYFRGI-IAGOWNOFSA-N 3 1 347.572 3.480 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204381 1297349975 /nfs/dbraw/zinc/34/99/75/1297349975.db2.gz COWYCMOWRYFRGI-IAGOWNOFSA-N 3 1 347.572 3.480 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204381 1297349986 /nfs/dbraw/zinc/34/99/86/1297349986.db2.gz COWYCMOWRYFRGI-IAGOWNOFSA-N 3 1 347.572 3.480 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204381 1297349997 /nfs/dbraw/zinc/34/99/97/1297349997.db2.gz COWYCMOWRYFRGI-IAGOWNOFSA-N 3 1 347.572 3.480 20 0 EGADMP c1c(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)sc2c1C[NH2+]CC2 ZINC000873205966 1297350734 /nfs/dbraw/zinc/35/07/34/1297350734.db2.gz XYZJKFGWCUFCSA-QGZVFWFLSA-N 3 1 347.572 3.482 20 0 EGADMP c1c(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)sc2c1C[NH2+]CC2 ZINC000873205966 1297350745 /nfs/dbraw/zinc/35/07/45/1297350745.db2.gz XYZJKFGWCUFCSA-QGZVFWFLSA-N 3 1 347.572 3.482 20 0 EGADMP Brc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000873261495 1297394895 /nfs/dbraw/zinc/39/48/95/1297394895.db2.gz DUYDLQDJXPLBFW-ARFHVFGLSA-N 2 1 338.293 3.245 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Br)cn1 ZINC000873262308 1297396880 /nfs/dbraw/zinc/39/68/80/1297396880.db2.gz LPNFALSWCWPRTQ-OCCSQVGLSA-N 2 1 326.282 3.245 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379655447 1297536710 /nfs/dbraw/zinc/53/67/10/1297536710.db2.gz LUQMEWVRGHPTAS-ZPMCFJSWSA-N 2 1 349.478 3.234 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379655447 1297536713 /nfs/dbraw/zinc/53/67/13/1297536713.db2.gz LUQMEWVRGHPTAS-ZPMCFJSWSA-N 2 1 349.478 3.234 20 0 EGADMP CCc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc(C)[nH+]1 ZINC000390853452 1297636591 /nfs/dbraw/zinc/63/65/91/1297636591.db2.gz JSMVFSNONYAFHW-GOSISDBHSA-N 2 1 338.499 3.482 20 0 EGADMP CCc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc(C)[nH+]1 ZINC000390853452 1297636599 /nfs/dbraw/zinc/63/65/99/1297636599.db2.gz JSMVFSNONYAFHW-GOSISDBHSA-N 2 1 338.499 3.482 20 0 EGADMP C[NH2+]CC[C@H](C)[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000691902862 1298139503 /nfs/dbraw/zinc/13/95/03/1298139503.db2.gz YEBHVZZELGLUOX-IBGZPJMESA-N 3 1 329.532 3.363 20 0 EGADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCN(Cc2ccccc2)CC1 ZINC000699316011 1298169402 /nfs/dbraw/zinc/16/94/02/1298169402.db2.gz VLIROKNTTSFPMG-IHWFROFDSA-N 2 1 327.516 3.113 20 0 EGADMP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000699316011 1298169405 /nfs/dbraw/zinc/16/94/05/1298169405.db2.gz VLIROKNTTSFPMG-IHWFROFDSA-N 3 1 327.516 3.113 20 0 EGADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000699316011 1298169409 /nfs/dbraw/zinc/16/94/09/1298169409.db2.gz VLIROKNTTSFPMG-IHWFROFDSA-N 3 1 327.516 3.113 20 0 EGADMP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C12CCC2 ZINC000708524464 1298239216 /nfs/dbraw/zinc/23/92/16/1298239216.db2.gz SLACIYOIXNTTOI-RSPOEFSDSA-N 2 1 328.500 3.302 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724051163 1298346623 /nfs/dbraw/zinc/34/66/23/1298346623.db2.gz ZYBSSFVHSSLIKG-HZPDHXFCSA-N 2 1 327.513 3.001 20 0 EGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724051163 1298346616 /nfs/dbraw/zinc/34/66/16/1298346616.db2.gz ZYBSSFVHSSLIKG-HZPDHXFCSA-N 2 1 327.513 3.001 20 0 EGADMP C[C@H](CCNc1nc(N2CCCC2)cc[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000747226042 1298745965 /nfs/dbraw/zinc/74/59/65/1298745965.db2.gz LOBZBARVAYGUTH-QGZVFWFLSA-N 2 1 339.487 3.399 20 0 EGADMP C[C@H](CCNc1nc(N2CCCC2)cc[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000747226042 1298745974 /nfs/dbraw/zinc/74/59/74/1298745974.db2.gz LOBZBARVAYGUTH-QGZVFWFLSA-N 2 1 339.487 3.399 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000749600610 1299242945 /nfs/dbraw/zinc/24/29/45/1299242945.db2.gz XZBJEPWTZJEWAG-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP O=C1[C@H]2CCCCC[C@H]2N1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000749939961 1299305103 /nfs/dbraw/zinc/30/51/03/1299305103.db2.gz WSXQOIIYNPXHDJ-VQTJNVASSA-N 2 1 347.547 3.323 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C(=O)[C@H]3CCCCC[C@H]32)CC1 ZINC000749955606 1299313067 /nfs/dbraw/zinc/31/30/67/1299313067.db2.gz SMTLQJSVPMLFEH-RBUKOAKNSA-N 2 1 335.536 3.179 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCc4ccncc4)cc3)CC[C@H]21 ZINC000877742925 1299519216 /nfs/dbraw/zinc/51/92/16/1299519216.db2.gz HMUGENPDFGVJLS-TZIWHRDSSA-N 2 1 337.467 3.187 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCc4ccncc4)cc3)CC[C@H]21 ZINC000877742925 1299519222 /nfs/dbraw/zinc/51/92/22/1299519222.db2.gz HMUGENPDFGVJLS-TZIWHRDSSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(OCc4ccncc4)cc3)CC[C@H]21 ZINC000877742925 1299519229 /nfs/dbraw/zinc/51/92/29/1299519229.db2.gz HMUGENPDFGVJLS-TZIWHRDSSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OCc4ccncc4)cc3)CC[C@H]21 ZINC000877742925 1299519235 /nfs/dbraw/zinc/51/92/35/1299519235.db2.gz HMUGENPDFGVJLS-TZIWHRDSSA-N 2 1 337.467 3.187 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000878445168 1300007983 /nfs/dbraw/zinc/00/79/83/1300007983.db2.gz DVIVIRWYZLIJQO-HOJAQTOUSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H]1C[C@H](CCNc2nc(N(C)C)cc[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000753818722 1300025282 /nfs/dbraw/zinc/02/52/82/1300025282.db2.gz XFYHYNIFUGQNQD-AEFFLSMTSA-N 2 1 339.487 3.255 20 0 EGADMP C[C@@H]1C[C@H](CCNc2nc(N(C)C)cc[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000753818722 1300025291 /nfs/dbraw/zinc/02/52/91/1300025291.db2.gz XFYHYNIFUGQNQD-AEFFLSMTSA-N 2 1 339.487 3.255 20 0 EGADMP C[C@@H]1COCC[NH+](CCCCCCCC[N@@H+]2CCOC[C@@H](C)C2)C1 ZINC000754382216 1300132703 /nfs/dbraw/zinc/13/27/03/1300132703.db2.gz VPRKZULAWGBTET-PMACEKPBSA-N 2 1 340.552 3.264 20 0 EGADMP c1cc(N2CCCCC2)ccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000754785353 1300215380 /nfs/dbraw/zinc/21/53/80/1300215380.db2.gz KPGKYWKLKIQFGZ-FPOVZHCZSA-N 2 1 327.516 3.436 20 0 EGADMP C[NH+]1CCC2(CC1)CC[NH+](CC(=O)c1c[nH]c3ccc(F)cc13)CC2 ZINC000879250481 1300454509 /nfs/dbraw/zinc/45/45/09/1300454509.db2.gz GBOQTDRBWNOFRO-UHFFFAOYSA-N 2 1 343.446 3.298 20 0 EGADMP C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000880004856 1300844011 /nfs/dbraw/zinc/84/40/11/1300844011.db2.gz ZOUQAZQIQZCXFU-QGZVFWFLSA-N 2 1 342.405 3.293 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000880517341 1301145763 /nfs/dbraw/zinc/14/57/63/1301145763.db2.gz NJUVVSRFNIJNFF-UHFFFAOYSA-N 2 1 339.524 3.051 20 0 EGADMP CN1c2ccc(C[N@@H+](C)CCCC[NH+]3CCCCC3)cc2CCC1=O ZINC000880517945 1301145845 /nfs/dbraw/zinc/14/58/45/1301145845.db2.gz ZHTVFIVJBKKLAI-UHFFFAOYSA-N 2 1 343.515 3.294 20 0 EGADMP COC(=O)Cc1ccccc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000880516924 1301146021 /nfs/dbraw/zinc/14/60/21/1301146021.db2.gz DVYPUNNZMSQYHG-UHFFFAOYSA-N 2 1 332.488 3.100 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1CCC2(CC1)OCCO2 ZINC000759740518 1301152478 /nfs/dbraw/zinc/15/24/78/1301152478.db2.gz IPASUGRWDSBCOD-UHFFFAOYSA-N 2 1 335.492 3.091 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1CCC2(CC1)OCCO2 ZINC000759740518 1301152482 /nfs/dbraw/zinc/15/24/82/1301152482.db2.gz IPASUGRWDSBCOD-UHFFFAOYSA-N 2 1 335.492 3.091 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C[C@@H](C3CC3)CC2=O)CC1 ZINC000762504443 1301695888 /nfs/dbraw/zinc/69/58/88/1301695888.db2.gz RWKCJTVZLURKLA-PXNSSMCTSA-N 2 1 347.547 3.179 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C[C@@H](C3CC3)CC2=O)CC1 ZINC000762504443 1301695894 /nfs/dbraw/zinc/69/58/94/1301695894.db2.gz RWKCJTVZLURKLA-PXNSSMCTSA-N 2 1 347.547 3.179 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC(C)([NH+]2CCC2)CC1)c1ccc(Cl)cc1 ZINC000882510698 1301999491 /nfs/dbraw/zinc/99/94/91/1301999491.db2.gz IDVZBNBQBRNKGW-QGZVFWFLSA-N 2 1 349.906 3.030 20 0 EGADMP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCSC1 ZINC000882950081 1302179411 /nfs/dbraw/zinc/17/94/11/1302179411.db2.gz VAQPQQOZXNPYQY-GOSISDBHSA-N 2 1 347.528 3.048 20 0 EGADMP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCSC1 ZINC000882950081 1302179417 /nfs/dbraw/zinc/17/94/17/1302179417.db2.gz VAQPQQOZXNPYQY-GOSISDBHSA-N 2 1 347.528 3.048 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000765373563 1302254782 /nfs/dbraw/zinc/25/47/82/1302254782.db2.gz WDWYKQAAZNUUBT-UHFFFAOYSA-N 2 1 343.515 3.133 20 0 EGADMP c1ccc2c(c1)OC1(CCOCC1)C[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000883383634 1302424385 /nfs/dbraw/zinc/42/43/85/1302424385.db2.gz CLWHOKDREHLKLS-LNLFQRSKSA-N 2 1 342.483 3.276 20 0 EGADMP c1ccc2c(c1)OC1(CCOCC1)C[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883383634 1302424387 /nfs/dbraw/zinc/42/43/87/1302424387.db2.gz CLWHOKDREHLKLS-LNLFQRSKSA-N 2 1 342.483 3.276 20 0 EGADMP Cc1nc(C)c(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000883427613 1302441066 /nfs/dbraw/zinc/44/10/66/1302441066.db2.gz WZRCFYZOLQMQOB-RBUKOAKNSA-N 2 1 327.472 3.464 20 0 EGADMP CC(C)[C@@H](C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000769685780 1303157282 /nfs/dbraw/zinc/15/72/82/1303157282.db2.gz UEPUHNONGQBEBO-IXDOHACOSA-N 2 1 341.540 3.388 20 0 EGADMP C[C@@H]1OCC[C@@H]1C[NH+](C)[C@H]1CC[C@H]([N@H+](C)C[C@H]2CCO[C@H]2C)CC1 ZINC000886386908 1303454041 /nfs/dbraw/zinc/45/40/41/1303454041.db2.gz LIVBTLUGFWTKPL-GTYQWKCWSA-N 2 1 338.536 3.011 20 0 EGADMP CC1([NH+]2CCCC2)CCC([NH2+]Cc2nc(-c3ccccc3)n[nH]2)CC1 ZINC000886581731 1303511886 /nfs/dbraw/zinc/51/18/86/1303511886.db2.gz MCOAKWYDIVPWHA-UHFFFAOYSA-N 2 1 339.487 3.358 20 0 EGADMP Cc1[nH]c(C2CC[NH+](Cc3cccc4nsnc43)CC2)[nH+]c1C ZINC000886664218 1303545756 /nfs/dbraw/zinc/54/57/56/1303545756.db2.gz FZPFOPQSHZFMSB-UHFFFAOYSA-N 2 1 327.457 3.411 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)N3[C@H](C)CCC[C@H]3C)CC2)[nH+]c1C ZINC000886670821 1303550094 /nfs/dbraw/zinc/55/00/94/1303550094.db2.gz WVRYLYSQNLXBGR-CKEIUWERSA-N 2 1 346.519 3.384 20 0 EGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)C1CCCCC1 ZINC000775381194 1303950990 /nfs/dbraw/zinc/95/09/90/1303950990.db2.gz ZXIOCFZUWXWFMD-QBPKDAKJSA-N 2 1 328.591 3.466 20 0 EGADMP C[C@H]1C[C@H](Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000777598223 1304322945 /nfs/dbraw/zinc/32/29/45/1304322945.db2.gz MIZPOSNBWGYSSQ-PKOBYXMFSA-N 2 1 331.504 3.446 20 0 EGADMP O=C1OC2(CCCC2)CN1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000778574188 1304468810 /nfs/dbraw/zinc/46/88/10/1304468810.db2.gz GECPRPZAMPGSDB-UHFFFAOYSA-N 2 1 349.519 3.297 20 0 EGADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000782185497 1304927105 /nfs/dbraw/zinc/92/71/05/1304927105.db2.gz XRTUKEFUOLTOEX-RXVVDRJESA-N 2 1 329.532 3.313 20 0 EGADMP C[C@H]1C[C@@H]([NH+](C)CC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000782185497 1304927109 /nfs/dbraw/zinc/92/71/09/1304927109.db2.gz XRTUKEFUOLTOEX-RXVVDRJESA-N 3 1 329.532 3.313 20 0 EGADMP C[C@H]1C[C@@H]([NH+](C)CC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000782185497 1304927112 /nfs/dbraw/zinc/92/71/12/1304927112.db2.gz XRTUKEFUOLTOEX-RXVVDRJESA-N 3 1 329.532 3.313 20 0 EGADMP C[C@H]1C[C@@H]([N@H+](C)CC2CC[NH+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000782185497 1304927116 /nfs/dbraw/zinc/92/71/16/1304927116.db2.gz XRTUKEFUOLTOEX-RXVVDRJESA-N 3 1 329.532 3.313 20 0 EGADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000782185497 1304927119 /nfs/dbraw/zinc/92/71/19/1304927119.db2.gz XRTUKEFUOLTOEX-RXVVDRJESA-N 3 1 329.532 3.313 20 0 EGADMP C[C@H]1CC[C@@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000783234763 1305068655 /nfs/dbraw/zinc/06/86/55/1305068655.db2.gz SSUGVNANLJGZKX-JXFKEZNVSA-N 2 1 332.488 3.064 20 0 EGADMP COCCOC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000892574816 1305448804 /nfs/dbraw/zinc/44/88/04/1305448804.db2.gz NQTGNZTYAITGRH-ROUUACIJSA-N 2 1 334.504 3.060 20 0 EGADMP CCc1onc(C)c1CNCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000892677344 1305501779 /nfs/dbraw/zinc/50/17/79/1305501779.db2.gz ZVBINCXGKILQOL-HNNXBMFYSA-N 2 1 343.471 3.056 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2C2CC2)c1 ZINC000892696818 1305512426 /nfs/dbraw/zinc/51/24/26/1305512426.db2.gz MXLLHQJKKHMMJS-UHFFFAOYSA-N 2 1 326.488 3.428 20 0 EGADMP Cn1ncc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000892739962 1305530864 /nfs/dbraw/zinc/53/08/64/1305530864.db2.gz KHQUHQGQWZKXIM-GOSISDBHSA-N 2 1 338.499 3.299 20 0 EGADMP Cn1ncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000892739962 1305530879 /nfs/dbraw/zinc/53/08/79/1305530879.db2.gz KHQUHQGQWZKXIM-GOSISDBHSA-N 2 1 338.499 3.299 20 0 EGADMP Cn1cc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)c(C2CC2)n1 ZINC000892773703 1305548641 /nfs/dbraw/zinc/54/86/41/1305548641.db2.gz AYNUKTIGUINSCO-UHFFFAOYSA-N 2 1 330.520 3.432 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000893028706 1305669094 /nfs/dbraw/zinc/66/90/94/1305669094.db2.gz JTLGTLBGAKFBFQ-UHFFFAOYSA-N 2 1 332.395 3.323 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000894312591 1306338029 /nfs/dbraw/zinc/33/80/29/1306338029.db2.gz LSJIHEMVBPRBDN-GJZGRUSLSA-N 2 1 343.471 3.225 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000894312591 1306338036 /nfs/dbraw/zinc/33/80/36/1306338036.db2.gz LSJIHEMVBPRBDN-GJZGRUSLSA-N 2 1 343.471 3.225 20 0 EGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)NC2CC2)cc1 ZINC000895377175 1309304948 /nfs/dbraw/zinc/30/49/48/1309304948.db2.gz KJCOIYZMWNUYOK-OXQOHEQNSA-N 2 1 343.515 3.131 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@H]2CC(c3ccc(C)c(C)c3)=NO2)CC1 ZINC000895499305 1309374321 /nfs/dbraw/zinc/37/43/21/1309374321.db2.gz WIVSRRJZKIPEIG-LJQANCHMSA-N 2 1 329.488 3.260 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000896407602 1309846233 /nfs/dbraw/zinc/84/62/33/1309846233.db2.gz SOYDWESXAUFSGX-APWZRJJASA-N 2 1 343.515 3.201 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000797116349 1310142430 /nfs/dbraw/zinc/14/24/30/1310142430.db2.gz RHULFIPMAASFRE-IRXDYDNUSA-N 2 1 339.524 3.240 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000797116349 1310142427 /nfs/dbraw/zinc/14/24/27/1310142427.db2.gz RHULFIPMAASFRE-IRXDYDNUSA-N 2 1 339.524 3.240 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1C ZINC000897415294 1310328075 /nfs/dbraw/zinc/32/80/75/1310328075.db2.gz XENWMYMEYJBYMU-VQIMIIECSA-N 2 1 332.488 3.298 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000897537307 1310368508 /nfs/dbraw/zinc/36/85/08/1310368508.db2.gz SHUSMVYMZQSHLV-WJMWBRGCSA-N 2 1 330.516 3.428 20 0 EGADMP CCCCN(CCCC)C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177219 1310499840 /nfs/dbraw/zinc/49/98/40/1310499840.db2.gz KYPBXIRAABWNKI-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178282 1310499918 /nfs/dbraw/zinc/49/99/18/1310499918.db2.gz QYWMCWYPUXRNHX-HCXYKTFWSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)c3ccc(Cl)c(F)c3)C2)CC1 ZINC000799179100 1310500153 /nfs/dbraw/zinc/50/01/53/1310500153.db2.gz CNEBJHZWNJWHHK-QGZVFWFLSA-N 2 1 340.870 3.320 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1F ZINC000799177036 1310500981 /nfs/dbraw/zinc/50/09/81/1310500981.db2.gz IOLNGKDHDWFKEF-MRXNPFEDSA-N 2 1 347.478 3.269 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3nonc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000897990614 1310544071 /nfs/dbraw/zinc/54/40/71/1310544071.db2.gz APOSGFINIYDNEY-MAUKXSAKSA-N 2 1 336.439 3.366 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3nonc3c2)CC[N@H+]1Cc1ccccc1 ZINC000897990614 1310544075 /nfs/dbraw/zinc/54/40/75/1310544075.db2.gz APOSGFINIYDNEY-MAUKXSAKSA-N 2 1 336.439 3.366 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CCO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000898170627 1310611335 /nfs/dbraw/zinc/61/13/35/1310611335.db2.gz JBVDZAVGEXWFEP-AVRDEDQJSA-N 2 1 338.495 3.364 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CCO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000898170627 1310611338 /nfs/dbraw/zinc/61/13/38/1310611338.db2.gz JBVDZAVGEXWFEP-AVRDEDQJSA-N 2 1 338.495 3.364 20 0 EGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000839182174 1320887987 /nfs/dbraw/zinc/88/79/87/1320887987.db2.gz LHZQMHUHSNECLE-IAGOWNOFSA-N 2 1 341.540 3.105 20 0 EGADMP CCCN(C(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000857295446 1328526832 /nfs/dbraw/zinc/52/68/32/1328526832.db2.gz PITRCSLQIJOOLO-WOJBJXKFSA-N 2 1 343.515 3.052 20 0 EGADMP CCCN(C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)[C@@H]1CC[NH+](C)C1 ZINC000857295446 1328526835 /nfs/dbraw/zinc/52/68/35/1328526835.db2.gz PITRCSLQIJOOLO-WOJBJXKFSA-N 2 1 343.515 3.052 20 0 EGADMP CCCN(C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[C@@H]1CC[NH+](C)C1 ZINC000857295446 1328526837 /nfs/dbraw/zinc/52/68/37/1328526837.db2.gz PITRCSLQIJOOLO-WOJBJXKFSA-N 2 1 343.515 3.052 20 0 EGADMP CCN(C(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[C@H]1CC[N@@H+](CC)C1 ZINC000857310860 1328528136 /nfs/dbraw/zinc/52/81/36/1328528136.db2.gz JEGKOBVFCDTRJU-UXHICEINSA-N 2 1 343.515 3.052 20 0 EGADMP CCN(C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)[C@H]1CC[NH+](CC)C1 ZINC000857310860 1328528138 /nfs/dbraw/zinc/52/81/38/1328528138.db2.gz JEGKOBVFCDTRJU-UXHICEINSA-N 2 1 343.515 3.052 20 0 EGADMP CCN(C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[C@H]1CC[NH+](CC)C1 ZINC000857310860 1328528140 /nfs/dbraw/zinc/52/81/40/1328528140.db2.gz JEGKOBVFCDTRJU-UXHICEINSA-N 2 1 343.515 3.052 20 0 EGADMP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCCc4c[nH]nc43)cc2)CC1 ZINC000857867632 1328609044 /nfs/dbraw/zinc/60/90/44/1328609044.db2.gz ZANPCPHWGOVIDL-IBGZPJMESA-N 2 1 340.471 3.050 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1Cl ZINC001018971883 1316991826 /nfs/dbraw/zinc/99/18/26/1316991826.db2.gz YNRPLNGWIRYJQI-GJZGRUSLSA-N 2 1 349.906 3.076 20 0 EGADMP C[N@@H+](Cc1cccc(-c2ccc(F)c(C[C@H](C[NH3+])CO)c2)c1)C1CC1 ZINC000899323768 1316992660 /nfs/dbraw/zinc/99/26/60/1316992660.db2.gz IIFFHPYJTLLLQA-MRXNPFEDSA-N 2 1 342.458 3.197 20 0 EGADMP CCC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000899560575 1317091216 /nfs/dbraw/zinc/09/12/16/1317091216.db2.gz RRCFLIJSKHVUGZ-GOSISDBHSA-N 2 1 347.547 3.118 20 0 EGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900530161 1317300681 /nfs/dbraw/zinc/30/06/81/1317300681.db2.gz VSTITPNQFXPILS-WOJBJXKFSA-N 2 1 343.515 3.114 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001019820441 1317439751 /nfs/dbraw/zinc/43/97/51/1317439751.db2.gz KNCZDJPAYDWVDG-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1)c1ccccc1 ZINC001019825994 1317440931 /nfs/dbraw/zinc/44/09/31/1317440931.db2.gz YLVKAWLRAZTVSM-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)C1 ZINC000902396213 1317572357 /nfs/dbraw/zinc/57/23/57/1317572357.db2.gz JCQVTEHCNSXTNG-GJZGRUSLSA-N 2 1 330.394 3.107 20 0 EGADMP COc1cccc(-c2cc(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)on2)c1 ZINC000902454292 1317580843 /nfs/dbraw/zinc/58/08/43/1317580843.db2.gz SIAFTBNOEPNPKU-OAHLLOKOSA-N 2 1 329.444 3.218 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2CCCCC[NH2+]2)C3)cc1 ZINC000902482760 1317582848 /nfs/dbraw/zinc/58/28/48/1317582848.db2.gz NKAYWTYCEUSEIE-NCYKPQTJSA-N 2 1 327.516 3.304 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001020289325 1317628117 /nfs/dbraw/zinc/62/81/17/1317628117.db2.gz XYVYBNYESACPTB-MUGJNUQGSA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[NH+](CC2=CCCCC2)CC1)[NH+]1CCCCC1 ZINC000957786260 1317644985 /nfs/dbraw/zinc/64/49/85/1317644985.db2.gz CALALPDREOALBU-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP COc1cccc(N2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)c1 ZINC000903089020 1317650230 /nfs/dbraw/zinc/65/02/30/1317650230.db2.gz OBWPHNZBDWDACM-HUBHPDRSSA-N 2 1 341.499 3.021 20 0 EGADMP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903107308 1317655206 /nfs/dbraw/zinc/65/52/06/1317655206.db2.gz QLBDNQWZBKVUST-VHRNVKJDSA-N 2 1 337.508 3.037 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000903115990 1317656129 /nfs/dbraw/zinc/65/61/29/1317656129.db2.gz FETSFUADVGHSEC-MYGYKHERSA-N 2 1 330.516 3.434 20 0 EGADMP c1ccc(COC2CC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903153149 1317664278 /nfs/dbraw/zinc/66/42/78/1317664278.db2.gz QPHIGVRZXOHZND-CVUDLSNHSA-N 2 1 326.484 3.482 20 0 EGADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000903153661 1317664448 /nfs/dbraw/zinc/66/44/48/1317664448.db2.gz UPJHWRIEOFKITG-XZBHBCHMSA-N 2 1 327.516 3.425 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H](c1ccccc1)N(C)C ZINC000903153661 1317664453 /nfs/dbraw/zinc/66/44/53/1317664453.db2.gz UPJHWRIEOFKITG-XZBHBCHMSA-N 2 1 327.516 3.425 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H](c1ccccc1)N(C)C ZINC000903153661 1317664457 /nfs/dbraw/zinc/66/44/57/1317664457.db2.gz UPJHWRIEOFKITG-XZBHBCHMSA-N 2 1 327.516 3.425 20 0 EGADMP CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903214090 1317675030 /nfs/dbraw/zinc/67/50/30/1317675030.db2.gz SBLFSIAVKBRGNR-VKZYCITMSA-N 2 1 349.519 3.037 20 0 EGADMP C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717860 1317724664 /nfs/dbraw/zinc/72/46/64/1317724664.db2.gz FDLWENZKMUFDEY-INIZCTEOSA-N 2 1 342.405 3.296 20 0 EGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2COc3ccccc3[C@H]2O)CC1 ZINC000808728804 1317724802 /nfs/dbraw/zinc/72/48/02/1317724802.db2.gz GPKPBFUQOAHSOT-KBMWQNTOSA-N 2 1 344.499 3.114 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cncc(-c3cc(F)ccc3OC)c2)C1 ZINC000903712983 1317725022 /nfs/dbraw/zinc/72/50/22/1317725022.db2.gz CSMBJJHKSKKSFZ-HNNXBMFYSA-N 2 1 343.446 3.328 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cncc(-c3cc(F)ccc3OC)c2)C1 ZINC000903712983 1317725031 /nfs/dbraw/zinc/72/50/31/1317725031.db2.gz CSMBJJHKSKKSFZ-HNNXBMFYSA-N 2 1 343.446 3.328 20 0 EGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725831 1317726306 /nfs/dbraw/zinc/72/63/06/1317726306.db2.gz IBPIAFISOCHWII-CGXNFDGLSA-N 2 1 328.500 3.413 20 0 EGADMP c1c2c(oc1-c1ccccc1)C[N@@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903734674 1317727093 /nfs/dbraw/zinc/72/70/93/1317727093.db2.gz UUQBDCFGUHSIBP-RXVVDRJESA-N 2 1 338.451 3.073 20 0 EGADMP c1ccc(SC[C@H]2CC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903733947 1317727611 /nfs/dbraw/zinc/72/76/11/1317727611.db2.gz NCAYHGFWDHJGDX-ROUUACIJSA-N 2 1 346.540 3.259 20 0 EGADMP Cc1ccc2[nH]c([C@H]3CCC[N@@H+](C[C@@H]4CCCC[NH2+]C4)C3)nc2c1 ZINC000903751707 1317729727 /nfs/dbraw/zinc/72/97/27/1317729727.db2.gz IHJGCGVETAOSJQ-SJORKVTESA-N 2 1 326.488 3.440 20 0 EGADMP Cc1ccc2nc([C@H]3CCC[N@H+](C[C@@H]4CCCC[NH2+]C4)C3)[nH]c2c1 ZINC000903751707 1317729732 /nfs/dbraw/zinc/72/97/32/1317729732.db2.gz IHJGCGVETAOSJQ-SJORKVTESA-N 2 1 326.488 3.440 20 0 EGADMP Cc1ccc2nc([C@H]3CCC[N@@H+](C[C@@H]4CCCC[NH2+]C4)C3)[nH]c2c1 ZINC000903751707 1317729736 /nfs/dbraw/zinc/72/97/36/1317729736.db2.gz IHJGCGVETAOSJQ-SJORKVTESA-N 2 1 326.488 3.440 20 0 EGADMP c1c2c(oc1-c1ccccc1)CC[N@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903764500 1317730481 /nfs/dbraw/zinc/73/04/81/1317730481.db2.gz SSXDXEIMXWFNQD-GHTZIAJQSA-N 2 1 338.451 3.073 20 0 EGADMP FC(F)(F)C1(C(F)(F)F)CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903908717 1317746173 /nfs/dbraw/zinc/74/61/73/1317746173.db2.gz OSJLGZSCNNCJIW-FGWVZKOKSA-N 2 1 330.316 3.334 20 0 EGADMP [NH3+][C@@H](C[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)CC(F)F ZINC000903926455 1317750893 /nfs/dbraw/zinc/75/08/93/1317750893.db2.gz SHCJWKFHYSDFBL-KGLIPLIRSA-N 2 1 349.828 3.016 20 0 EGADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000903955551 1317757377 /nfs/dbraw/zinc/75/73/77/1317757377.db2.gz VIEQMLHRRSGLER-SNVBAGLBSA-N 2 1 329.441 3.206 20 0 EGADMP c1ccc(C2CCC([NH2+][C@@H]3C[NH2+]CC4(CCOCC4)C3)CC2)cc1 ZINC000903972996 1317759773 /nfs/dbraw/zinc/75/97/73/1317759773.db2.gz NALBZWIYTMTBOL-MHJFOBGBSA-N 2 1 328.500 3.461 20 0 EGADMP C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)c1cccc(Cl)c1 ZINC001020586108 1317790896 /nfs/dbraw/zinc/79/08/96/1317790896.db2.gz FOXZIQOEFMWLOQ-DACLVMHWSA-N 2 1 349.906 3.122 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1)c1ccccc1 ZINC001020591731 1317792282 /nfs/dbraw/zinc/79/22/82/1317792282.db2.gz UJKRHUQWPSRJJR-FHWLQOOXSA-N 2 1 343.515 3.106 20 0 EGADMP COc1ccc(C[N@H+](C)C[C@@]2(C)CCC[NH2+]C2)cc1OC(F)F ZINC000904307257 1317829225 /nfs/dbraw/zinc/82/92/25/1317829225.db2.gz NCOKDNIRYPQNMQ-KRWDZBQOSA-N 2 1 328.403 3.118 20 0 EGADMP COc1ccc(C[N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)cc1OC(F)F ZINC000904307257 1317829230 /nfs/dbraw/zinc/82/92/30/1317829230.db2.gz NCOKDNIRYPQNMQ-KRWDZBQOSA-N 2 1 328.403 3.118 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000809605537 1317842789 /nfs/dbraw/zinc/84/27/89/1317842789.db2.gz DOJASQAYSZXHFH-GTPINHCMSA-N 2 1 339.524 3.144 20 0 EGADMP CCOCOc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000809754920 1317891215 /nfs/dbraw/zinc/89/12/15/1317891215.db2.gz DCEQUBULVZSBSC-IBGZPJMESA-N 2 1 332.488 3.223 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001021096266 1318079390 /nfs/dbraw/zinc/07/93/90/1318079390.db2.gz LHKCTPNYAPRBSJ-GUDVDZBRSA-N 2 1 335.536 3.068 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1=CCCCC1 ZINC001021211445 1318142756 /nfs/dbraw/zinc/14/27/56/1318142756.db2.gz WPAUPJXYIQXMJZ-RAFMOHDBSA-N 2 1 345.531 3.083 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCCCCC2)C1 ZINC001021460733 1318265698 /nfs/dbraw/zinc/26/56/98/1318265698.db2.gz HEQVUJBVHFVJDM-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCCCCC2)C1 ZINC001021460733 1318265705 /nfs/dbraw/zinc/26/57/05/1318265705.db2.gz HEQVUJBVHFVJDM-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCCCC2)C1 ZINC001021460733 1318265714 /nfs/dbraw/zinc/26/57/14/1318265714.db2.gz HEQVUJBVHFVJDM-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+](C)Cc1cc(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)ccc1Cl ZINC000907966586 1318287225 /nfs/dbraw/zinc/28/72/25/1318287225.db2.gz DWBSPNWZDSUXJI-WBVHZDCISA-N 2 1 335.879 3.357 20 0 EGADMP C[NH+](C)Cc1cc(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)ccc1Cl ZINC000907966586 1318287232 /nfs/dbraw/zinc/28/72/32/1318287232.db2.gz DWBSPNWZDSUXJI-WBVHZDCISA-N 2 1 335.879 3.357 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000960069881 1318339933 /nfs/dbraw/zinc/33/99/33/1318339933.db2.gz HZZFLHMPBYTOPC-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP C[C@H](C(=O)NC1CCC2(CC1)CC[NH+](C)CC2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000908501876 1318355938 /nfs/dbraw/zinc/35/59/38/1318355938.db2.gz JMQSIYIMVRYXEQ-IXDOHACOSA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666565 1318528784 /nfs/dbraw/zinc/52/87/84/1318528784.db2.gz VNTFBVNNLUDWKZ-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CCSc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000930061131 1328775144 /nfs/dbraw/zinc/77/51/44/1328775144.db2.gz QOEMQPDOCSYKMM-OKZBNKHCSA-N 2 1 334.529 3.482 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000858490587 1328777242 /nfs/dbraw/zinc/77/72/42/1328777242.db2.gz KBYNQXBNQVPWHW-DLBZAZTESA-N 2 1 329.488 3.196 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000858491126 1328778251 /nfs/dbraw/zinc/77/82/51/1328778251.db2.gz YSMPWPRZEYYFAS-HZPDHXFCSA-N 2 1 331.460 3.026 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH]cn1 ZINC000960671437 1318785911 /nfs/dbraw/zinc/78/59/11/1318785911.db2.gz LAQAKNIBKMQADX-APWZRJJASA-N 2 1 340.471 3.026 20 0 EGADMP C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1cnc[nH]1 ZINC000960671437 1318785917 /nfs/dbraw/zinc/78/59/17/1318785917.db2.gz LAQAKNIBKMQADX-APWZRJJASA-N 2 1 340.471 3.026 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1cnc[nH]1 ZINC000960671437 1318785923 /nfs/dbraw/zinc/78/59/23/1318785923.db2.gz LAQAKNIBKMQADX-APWZRJJASA-N 2 1 340.471 3.026 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001022069891 1318788066 /nfs/dbraw/zinc/78/80/66/1318788066.db2.gz OJDVPHQNXCARKU-ZCNNSNEGSA-N 2 1 349.563 3.457 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCCC1)C1CC1 ZINC000960685098 1318792670 /nfs/dbraw/zinc/79/26/70/1318792670.db2.gz UASDRBZPDWDWRZ-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC000960694045 1318797803 /nfs/dbraw/zinc/79/78/03/1318797803.db2.gz WCVQXAXPKDFUHL-PKOBYXMFSA-N 2 1 343.515 3.155 20 0 EGADMP Cc1cccc(C)c1NC(=O)CCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000815143359 1318908516 /nfs/dbraw/zinc/90/85/16/1318908516.db2.gz IWGQUHFNRVSPAK-NRFANRHFSA-N 2 1 343.515 3.440 20 0 EGADMP Cc1cccc(C)c1NC(=O)CCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815143359 1318908526 /nfs/dbraw/zinc/90/85/26/1318908526.db2.gz IWGQUHFNRVSPAK-NRFANRHFSA-N 2 1 343.515 3.440 20 0 EGADMP Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815143359 1318908534 /nfs/dbraw/zinc/90/85/34/1318908534.db2.gz IWGQUHFNRVSPAK-NRFANRHFSA-N 2 1 343.515 3.440 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC000960829402 1318958557 /nfs/dbraw/zinc/95/85/57/1318958557.db2.gz MAGAVOQOQHUKBP-SFHVURJKSA-N 2 1 347.503 3.068 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000960862706 1319007701 /nfs/dbraw/zinc/00/77/01/1319007701.db2.gz KWCALLMGEVOUCJ-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000960862706 1319007708 /nfs/dbraw/zinc/00/77/08/1319007708.db2.gz KWCALLMGEVOUCJ-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000960862706 1319007714 /nfs/dbraw/zinc/00/77/14/1319007714.db2.gz KWCALLMGEVOUCJ-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCC2)cc1 ZINC000960927818 1319071956 /nfs/dbraw/zinc/07/19/56/1319071956.db2.gz OFXXFXKZLQSLAV-HXUWFJFHSA-N 2 1 343.515 3.085 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1)c1ccccc1 ZINC001022717227 1319081309 /nfs/dbraw/zinc/08/13/09/1319081309.db2.gz UJKRHUQWPSRJJR-OTWHNJEPSA-N 2 1 343.515 3.106 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)C[C@@H]2CCCN2C(=O)C[NH+]2CCCC2)c1 ZINC000961034588 1319159090 /nfs/dbraw/zinc/15/90/90/1319159090.db2.gz NWXLCIRQWAEDKJ-QUCCMNQESA-N 2 1 343.515 3.075 20 0 EGADMP C[N@@H+](Cc1ccc(Cl)nc1)Cc1cccc(CN2CCOCC2)c1 ZINC000817274558 1319308709 /nfs/dbraw/zinc/30/87/09/1319308709.db2.gz NFGZZASGKAENRQ-UHFFFAOYSA-N 2 1 345.874 3.199 20 0 EGADMP CN(Cc1ccc(Cl)nc1)Cc1cccc(CN2CCOCC2)c1 ZINC000817274558 1319308716 /nfs/dbraw/zinc/30/87/16/1319308716.db2.gz NFGZZASGKAENRQ-UHFFFAOYSA-N 2 1 345.874 3.199 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCSC(C)(C)C)CC2)CC1 ZINC000817286335 1319314807 /nfs/dbraw/zinc/31/48/07/1319314807.db2.gz SRJPILNDFHGQQN-UHFFFAOYSA-N 2 1 327.582 3.010 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3cccnc3CC2)cn1 ZINC000817575340 1319400801 /nfs/dbraw/zinc/40/08/01/1319400801.db2.gz HRESERJHMYOIKJ-GOSISDBHSA-N 2 1 333.439 3.008 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@@H](CN)C2CC2)cc1C[NH+]1CCCCC1 ZINC000817960668 1319477740 /nfs/dbraw/zinc/47/77/40/1319477740.db2.gz OZRUYOYRGLEMAM-KXBFYZLASA-N 2 1 331.504 3.069 20 0 EGADMP COc1ccc([C@H](C)N[C@@H]2CC[NH2+][C@H](C)C2)cc1C[NH+]1CCCCC1 ZINC000817972660 1319482440 /nfs/dbraw/zinc/48/24/40/1319482440.db2.gz ZHKSFHCRLYPGRL-FUHIMQAGSA-N 2 1 345.531 3.472 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001023446477 1319546551 /nfs/dbraw/zinc/54/65/51/1319546551.db2.gz QJLVKZXHUKBISO-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001023446477 1319546556 /nfs/dbraw/zinc/54/65/56/1319546556.db2.gz QJLVKZXHUKBISO-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001023446477 1319546563 /nfs/dbraw/zinc/54/65/63/1319546563.db2.gz QJLVKZXHUKBISO-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([C@@H]3CCC[NH+](CC)C3)CC2)C1 ZINC000961397235 1319551931 /nfs/dbraw/zinc/55/19/31/1319551931.db2.gz SKPXSUMTTIECNK-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC([C@@H]3CCC[N@H+](CC)C3)CC2)C1 ZINC000961397235 1319551938 /nfs/dbraw/zinc/55/19/38/1319551938.db2.gz SKPXSUMTTIECNK-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC([C@@H]3CCC[N@@H+](CC)C3)CC2)C1 ZINC000961397235 1319551948 /nfs/dbraw/zinc/55/19/48/1319551948.db2.gz SKPXSUMTTIECNK-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000818959424 1319590227 /nfs/dbraw/zinc/59/02/27/1319590227.db2.gz JRUIRYGEZYBYLY-RDTXWAMCSA-N 2 1 326.431 3.100 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000818959709 1319591086 /nfs/dbraw/zinc/59/10/86/1319591086.db2.gz RHPCICTYYZFINH-YOEHRIQHSA-N 2 1 326.431 3.242 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000818959708 1319591204 /nfs/dbraw/zinc/59/12/04/1319591204.db2.gz RHPCICTYYZFINH-WMLDXEAASA-N 2 1 326.431 3.242 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000819101410 1319635092 /nfs/dbraw/zinc/63/50/92/1319635092.db2.gz SYAYCEQOFXPGOE-MRXNPFEDSA-N 2 1 341.377 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552730 1319663615 /nfs/dbraw/zinc/66/36/15/1319663615.db2.gz MCDCTTPCGKAGBC-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552730 1319663627 /nfs/dbraw/zinc/66/36/27/1319663627.db2.gz MCDCTTPCGKAGBC-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552730 1319663638 /nfs/dbraw/zinc/66/36/38/1319663638.db2.gz MCDCTTPCGKAGBC-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+](CCCC[NH2+]C[C@H](O)c1ccccc1C(F)(F)F)C1CC1 ZINC000819363712 1319710038 /nfs/dbraw/zinc/71/00/38/1319710038.db2.gz YNKYWLHUROWUMY-INIZCTEOSA-N 2 1 330.394 3.203 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000819366162 1319710515 /nfs/dbraw/zinc/71/05/15/1319710515.db2.gz KERGONGRZWMHMF-CZUORRHYSA-N 2 1 330.394 3.060 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023763589 1319911858 /nfs/dbraw/zinc/91/18/58/1319911858.db2.gz UREXTHOSFGCESL-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001023763589 1319911865 /nfs/dbraw/zinc/91/18/65/1319911865.db2.gz UREXTHOSFGCESL-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001023763589 1319911870 /nfs/dbraw/zinc/91/18/70/1319911870.db2.gz UREXTHOSFGCESL-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC000962385575 1319945245 /nfs/dbraw/zinc/94/52/45/1319945245.db2.gz QXOMMJLONKENMU-SOAGJPPSSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@H](O)C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000820814111 1319958802 /nfs/dbraw/zinc/95/88/02/1319958802.db2.gz FSVLESCWIKFIQH-ZCZPEFOYSA-N 2 1 328.500 3.289 20 0 EGADMP C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820814114 1319959409 /nfs/dbraw/zinc/95/94/09/1319959409.db2.gz FSYBMTOXGWQVLT-OPECSJNASA-N 2 1 332.463 3.385 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000823408834 1320176825 /nfs/dbraw/zinc/17/68/25/1320176825.db2.gz RIUDTGABUASYMY-IAGOWNOFSA-N 2 1 341.540 3.057 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000823408834 1320176828 /nfs/dbraw/zinc/17/68/28/1320176828.db2.gz RIUDTGABUASYMY-IAGOWNOFSA-N 2 1 341.540 3.057 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000823408834 1320176831 /nfs/dbraw/zinc/17/68/31/1320176831.db2.gz RIUDTGABUASYMY-IAGOWNOFSA-N 2 1 341.540 3.057 20 0 EGADMP C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824119352 1320230280 /nfs/dbraw/zinc/23/02/80/1320230280.db2.gz HHDFPJQWRLEURK-APWZRJJASA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824119352 1320230287 /nfs/dbraw/zinc/23/02/87/1320230287.db2.gz HHDFPJQWRLEURK-APWZRJJASA-N 2 1 338.499 3.298 20 0 EGADMP CCOC(=O)c1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)[nH]c1C ZINC000824384068 1320253725 /nfs/dbraw/zinc/25/37/25/1320253725.db2.gz YQDUJASDNZPQLH-UHFFFAOYSA-N 2 1 343.471 3.193 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1)C(C)C ZINC000827329484 1320444331 /nfs/dbraw/zinc/44/43/31/1320444331.db2.gz GWBVZADQXRWAJN-VQTJNVASSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1)C(C)C ZINC000827329484 1320444339 /nfs/dbraw/zinc/44/43/39/1320444339.db2.gz GWBVZADQXRWAJN-VQTJNVASSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1)C(C)C ZINC000827329484 1320444341 /nfs/dbraw/zinc/44/43/41/1320444341.db2.gz GWBVZADQXRWAJN-VQTJNVASSA-N 2 1 343.515 3.083 20 0 EGADMP CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@@H](C)C[NH3+] ZINC000841048775 1321208900 /nfs/dbraw/zinc/20/89/00/1321208900.db2.gz LQAPZQFAFFUWLZ-AWEZNQCLSA-N 2 1 334.895 3.393 20 0 EGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000843053741 1321462767 /nfs/dbraw/zinc/46/27/67/1321462767.db2.gz HLDGWRRMQTZHGM-DLZDZTESSA-N 2 1 330.472 3.089 20 0 EGADMP CCCCn1nc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1Cl ZINC000843125704 1321473146 /nfs/dbraw/zinc/47/31/46/1321473146.db2.gz FTVVPFUYEIVBMH-HZPDHXFCSA-N 2 1 338.927 3.467 20 0 EGADMP CC(C)[C@@H]([NH3+])c1noc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000843152139 1321479816 /nfs/dbraw/zinc/47/98/16/1321479816.db2.gz QJHLXWYTKGDFAK-GOEBONIOSA-N 2 1 332.423 3.244 20 0 EGADMP Cc1cc(C(=O)C[N@H+](C)C2CCC([NH3+])CC2)c(C)n1CC(F)(F)F ZINC000843354544 1321504973 /nfs/dbraw/zinc/50/49/73/1321504973.db2.gz BEXRGAYUFRUVPH-UHFFFAOYSA-N 2 1 345.409 3.052 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+](CCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000844332637 1321590862 /nfs/dbraw/zinc/59/08/62/1321590862.db2.gz VOUZCRVIACSPFY-IBGZPJMESA-N 2 1 339.524 3.099 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](CCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000844332637 1321590864 /nfs/dbraw/zinc/59/08/64/1321590864.db2.gz VOUZCRVIACSPFY-IBGZPJMESA-N 2 1 339.524 3.099 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000844332637 1321590865 /nfs/dbraw/zinc/59/08/65/1321590865.db2.gz VOUZCRVIACSPFY-IBGZPJMESA-N 2 1 339.524 3.099 20 0 EGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000845942724 1321756549 /nfs/dbraw/zinc/75/65/49/1321756549.db2.gz RPQNAWPDJRECTP-MOPGFXCFSA-N 2 1 326.488 3.452 20 0 EGADMP CCc1ccc2c(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])cc(=O)oc2c1 ZINC000846226431 1321777977 /nfs/dbraw/zinc/77/79/77/1321777977.db2.gz NASNLVGFJKBLMH-KSSFIOAISA-N 2 1 328.456 3.305 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)[C@@H]1CC[NH3+] ZINC000846226640 1321778348 /nfs/dbraw/zinc/77/83/48/1321778348.db2.gz SDGYUBXQJUSWPM-IFXJQAMLSA-N 2 1 340.467 3.231 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc2nonc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000846848953 1321816564 /nfs/dbraw/zinc/81/65/64/1321816564.db2.gz QHWFVKWOZJDJDY-QAPCUYQASA-N 2 1 336.439 3.223 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000846859049 1321817273 /nfs/dbraw/zinc/81/72/73/1321817273.db2.gz SCWQVNUHYYMKIG-CRAIPNDOSA-N 2 1 336.439 3.223 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000846859049 1321817279 /nfs/dbraw/zinc/81/72/79/1321817279.db2.gz SCWQVNUHYYMKIG-CRAIPNDOSA-N 2 1 336.439 3.223 20 0 EGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000848541323 1321972950 /nfs/dbraw/zinc/97/29/50/1321972950.db2.gz WVEOHTYPFODUFP-ICSRJNTNSA-N 2 1 326.488 3.452 20 0 EGADMP c1ccc(CC2([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCC2)cc1 ZINC000848539708 1321973015 /nfs/dbraw/zinc/97/30/15/1321973015.db2.gz IKXOCPIXJUXGIF-FQEVSTJZSA-N 2 1 328.500 3.385 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2)CCCC1 ZINC000849071259 1322066434 /nfs/dbraw/zinc/06/64/34/1322066434.db2.gz ZSVCPWSAOQHRPQ-SFHVURJKSA-N 2 1 346.494 3.236 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000849091169 1322074831 /nfs/dbraw/zinc/07/48/31/1322074831.db2.gz XJLDURXUBVBWGC-SJLPKXTDSA-N 2 1 344.503 3.279 20 0 EGADMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000849112275 1322083242 /nfs/dbraw/zinc/08/32/42/1322083242.db2.gz FNPGCRFIOPQFGT-BLLLJJGKSA-N 2 1 338.858 3.138 20 0 EGADMP CC[NH+](CC)CCOc1cc(NCc2c[nH+]c(C)n2C)ccc1OC ZINC000850208863 1322206048 /nfs/dbraw/zinc/20/60/48/1322206048.db2.gz GANABJJCTZADTH-UHFFFAOYSA-N 2 1 346.475 3.070 20 0 EGADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000850399570 1322238302 /nfs/dbraw/zinc/23/83/02/1322238302.db2.gz MWYCPLHJEZRIMD-WOSRLPQWSA-N 2 1 329.271 3.243 20 0 EGADMP CC(C)c1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000922390076 1322517580 /nfs/dbraw/zinc/51/75/80/1322517580.db2.gz XEVXRLIXTJAGDY-CGXNFDGLSA-N 2 1 330.516 3.379 20 0 EGADMP O[C@H](C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1C(F)(F)F ZINC000923362490 1322740428 /nfs/dbraw/zinc/74/04/28/1322740428.db2.gz NMTNSTBQRCVSBE-GRDNDAEWSA-N 2 1 342.405 3.060 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1SC(F)(F)F ZINC000923480683 1322759643 /nfs/dbraw/zinc/75/96/43/1322759643.db2.gz BIRRNBDUGISETO-LLVKDONJSA-N 2 1 334.407 3.478 20 0 EGADMP CO[C@@H](C)c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)cs1 ZINC000923509093 1322765918 /nfs/dbraw/zinc/76/59/18/1322765918.db2.gz YYKZLVAFEXZROT-LSDHHAIUSA-N 2 1 337.533 3.452 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccccc1CN1CCSCC1 ZINC000931171497 1329066070 /nfs/dbraw/zinc/06/60/70/1329066070.db2.gz IUANDABWMKRZLN-GOSISDBHSA-N 2 1 347.528 3.047 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000931171497 1329066078 /nfs/dbraw/zinc/06/60/78/1329066078.db2.gz IUANDABWMKRZLN-GOSISDBHSA-N 2 1 347.528 3.047 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024024072 1323081520 /nfs/dbraw/zinc/08/15/20/1323081520.db2.gz SLFGCQIYAMZZPH-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CC1(C)OC[C@H](C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)O1 ZINC000851799114 1323089722 /nfs/dbraw/zinc/08/97/22/1323089722.db2.gz PHIZLZYQQLQMBG-PZJWPPBQSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@H](C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)O1 ZINC000851799114 1323089727 /nfs/dbraw/zinc/08/97/27/1323089727.db2.gz PHIZLZYQQLQMBG-PZJWPPBQSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@H](C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)O1 ZINC000851799114 1323089732 /nfs/dbraw/zinc/08/97/32/1323089732.db2.gz PHIZLZYQQLQMBG-PZJWPPBQSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@@H](C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)O1 ZINC000851799115 1323091048 /nfs/dbraw/zinc/09/10/48/1323091048.db2.gz PHIZLZYQQLQMBG-TZIWHRDSSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@@H](C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)O1 ZINC000851799115 1323091054 /nfs/dbraw/zinc/09/10/54/1323091054.db2.gz PHIZLZYQQLQMBG-TZIWHRDSSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@@H](C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)O1 ZINC000851799115 1323091059 /nfs/dbraw/zinc/09/10/59/1323091059.db2.gz PHIZLZYQQLQMBG-TZIWHRDSSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1ccccn1 ZINC000852019559 1323133631 /nfs/dbraw/zinc/13/36/31/1323133631.db2.gz ZQVVDGIHJSQVNC-PMACEKPBSA-N 2 1 339.483 3.005 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1ccccn1 ZINC000852019559 1323133637 /nfs/dbraw/zinc/13/36/37/1323133637.db2.gz ZQVVDGIHJSQVNC-PMACEKPBSA-N 2 1 339.483 3.005 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024156404 1323178609 /nfs/dbraw/zinc/17/86/09/1323178609.db2.gz MWNFOTBRGYSTHZ-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(-n3cnnc3)c2)C1 ZINC000924958706 1323228732 /nfs/dbraw/zinc/22/87/32/1323228732.db2.gz GJSNVVSDDAHGBY-IAGOWNOFSA-N 2 1 327.476 3.038 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCN(OCc3ccccc3)CC2)C1 ZINC000924959916 1323229142 /nfs/dbraw/zinc/22/91/42/1323229142.db2.gz MSSKCMKPFFZSRG-HXUWFJFHSA-N 2 1 345.531 3.293 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1csc2ccccc21 ZINC000924966345 1323232204 /nfs/dbraw/zinc/23/22/04/1323232204.db2.gz SMALOBFXDJSKDV-CABCVRRESA-N 2 1 345.512 3.139 20 0 EGADMP CCC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ncccc1Cl ZINC000925023703 1323247821 /nfs/dbraw/zinc/24/78/21/1323247821.db2.gz PGLIVTRVLOYBQQ-DOTOQJQBSA-N 2 1 339.911 3.403 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)Cc3ccccn3)CC2)oc1C ZINC000925037692 1323253096 /nfs/dbraw/zinc/25/30/96/1323253096.db2.gz PAGQSGYJDPMFOK-OAHLLOKOSA-N 2 1 342.487 3.119 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1CC1CCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479734 1323433664 /nfs/dbraw/zinc/43/36/64/1323433664.db2.gz OHMIDTDROYUEEA-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCCC[NH+]1CC1CCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479734 1323433667 /nfs/dbraw/zinc/43/36/67/1323433667.db2.gz OHMIDTDROYUEEA-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCCC[NH+]1CC1CCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479734 1323433671 /nfs/dbraw/zinc/43/36/71/1323433671.db2.gz OHMIDTDROYUEEA-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1 ZINC001024522571 1323470368 /nfs/dbraw/zinc/47/03/68/1323470368.db2.gz GUYUNSNIAIFWBO-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024522571 1323470371 /nfs/dbraw/zinc/47/03/71/1323470371.db2.gz GUYUNSNIAIFWBO-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024522571 1323470377 /nfs/dbraw/zinc/47/03/77/1323470377.db2.gz GUYUNSNIAIFWBO-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024570677 1323508526 /nfs/dbraw/zinc/50/85/26/1323508526.db2.gz NGGSZKBQXXFEQU-IBGZPJMESA-N 2 1 345.531 3.175 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC=C(C)C)C1 ZINC001024614930 1323542483 /nfs/dbraw/zinc/54/24/83/1323542483.db2.gz LOZYTCFGCJFSDF-RTBURBONSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC=C(C)C)C1 ZINC001024614930 1323542487 /nfs/dbraw/zinc/54/24/87/1323542487.db2.gz LOZYTCFGCJFSDF-RTBURBONSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CC=C(C)C)C1 ZINC001024614930 1323542496 /nfs/dbraw/zinc/54/24/96/1323542496.db2.gz LOZYTCFGCJFSDF-RTBURBONSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCC(C)C)C1 ZINC001024614057 1323543056 /nfs/dbraw/zinc/54/30/56/1323543056.db2.gz FOVCXCLDZKZEOI-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCC(C)C)C1 ZINC001024614057 1323543060 /nfs/dbraw/zinc/54/30/60/1323543060.db2.gz FOVCXCLDZKZEOI-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CCC(C)C)C1 ZINC001024614057 1323543063 /nfs/dbraw/zinc/54/30/63/1323543063.db2.gz FOVCXCLDZKZEOI-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@H](F)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811309 1323713384 /nfs/dbraw/zinc/71/33/84/1323713384.db2.gz PPXLEWJAPPWCKP-OALUTQOASA-N 2 1 349.494 3.081 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024814022 1323714898 /nfs/dbraw/zinc/71/48/98/1323714898.db2.gz MATKNWORTLQKCS-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001024814022 1323714906 /nfs/dbraw/zinc/71/49/06/1323714906.db2.gz MATKNWORTLQKCS-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001024814022 1323714908 /nfs/dbraw/zinc/71/49/08/1323714908.db2.gz MATKNWORTLQKCS-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C[C@@H]2C1 ZINC000931429809 1329115553 /nfs/dbraw/zinc/11/55/53/1329115553.db2.gz IPARIYVMEXGKII-UXHICEINSA-N 2 1 349.478 3.322 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C[C@@H]2C1 ZINC000931429809 1329115554 /nfs/dbraw/zinc/11/55/54/1329115554.db2.gz IPARIYVMEXGKII-UXHICEINSA-N 2 1 349.478 3.322 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C[C@@H]2C1 ZINC000931429809 1329115560 /nfs/dbraw/zinc/11/55/60/1329115560.db2.gz IPARIYVMEXGKII-UXHICEINSA-N 2 1 349.478 3.322 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430429 1329116246 /nfs/dbraw/zinc/11/62/46/1329116246.db2.gz BZWAJQHAGPARLL-FGTMMUONSA-N 2 1 343.515 3.329 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430429 1329116249 /nfs/dbraw/zinc/11/62/49/1329116249.db2.gz BZWAJQHAGPARLL-FGTMMUONSA-N 2 1 343.515 3.329 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931430429 1329116251 /nfs/dbraw/zinc/11/62/51/1329116251.db2.gz BZWAJQHAGPARLL-FGTMMUONSA-N 2 1 343.515 3.329 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931430429 1329116254 /nfs/dbraw/zinc/11/62/54/1329116254.db2.gz BZWAJQHAGPARLL-FGTMMUONSA-N 2 1 343.515 3.329 20 0 EGADMP Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)cs1 ZINC001025085063 1323885712 /nfs/dbraw/zinc/88/57/12/1323885712.db2.gz KURMXEFCUJRBGW-MAUKXSAKSA-N 2 1 349.544 3.012 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001025085559 1323885931 /nfs/dbraw/zinc/88/59/31/1323885931.db2.gz SGMJIWWUUVPGHP-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001025168595 1323936696 /nfs/dbraw/zinc/93/66/96/1323936696.db2.gz NXKAXPLZMJECEJ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259054 1324068787 /nfs/dbraw/zinc/06/87/87/1324068787.db2.gz NDJDLUBJYGWOTI-ROUUACIJSA-N 2 1 335.536 3.116 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N1CCCC[C@H]1[C@@H]1CCC[N@H+]1CC1CC1 ZINC001025301716 1324134991 /nfs/dbraw/zinc/13/49/91/1324134991.db2.gz OOCRCHVHGNQCCZ-PMACEKPBSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC001025584529 1324426367 /nfs/dbraw/zinc/42/63/67/1324426367.db2.gz IRXDGAJPTSIQBG-YLJYHZDGSA-N 2 1 349.563 3.124 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C(C)C)C2)o1 ZINC001025630761 1324483042 /nfs/dbraw/zinc/48/30/42/1324483042.db2.gz VRUTXLNJOJSGAQ-IRXDYDNUSA-N 2 1 349.519 3.360 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026519910 1324864025 /nfs/dbraw/zinc/86/40/25/1324864025.db2.gz YZCZIRCQMZMAMF-MHJFOBGBSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026887866 1325062808 /nfs/dbraw/zinc/06/28/08/1325062808.db2.gz WTQVPJYDOFJYDN-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP c1ccc(CN2CCC([NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)CC2)cc1 ZINC000925495293 1325176273 /nfs/dbraw/zinc/17/62/73/1325176273.db2.gz TWYCLIJLRYKVEG-FGZHOGPDSA-N 2 1 341.543 3.409 20 0 EGADMP c1ccc(CN2CCC([NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)CC2)cc1 ZINC000925495299 1325176607 /nfs/dbraw/zinc/17/66/07/1325176607.db2.gz TWYCLIJLRYKVEG-YADHBBJMSA-N 2 1 341.543 3.409 20 0 EGADMP COc1cccc(Oc2ncccc2C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925522881 1325189282 /nfs/dbraw/zinc/18/92/82/1325189282.db2.gz PBZHJOHBGXPZQC-MSOLQXFVSA-N 2 1 339.439 3.242 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)C12CCC2 ZINC000925546021 1325201560 /nfs/dbraw/zinc/20/15/60/1325201560.db2.gz IJVWYNBCKLMYSQ-IAGOWNOFSA-N 2 1 327.403 3.373 20 0 EGADMP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925631699 1325238944 /nfs/dbraw/zinc/23/89/44/1325238944.db2.gz WPLRNXPEPGPXTD-CSBKYJRVSA-N 2 1 339.886 3.202 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](Cn1ccnc1)c1ccccc1 ZINC000925769174 1325291381 /nfs/dbraw/zinc/29/13/81/1325291381.db2.gz BHTBJCNXCPZGLR-JXFKEZNVSA-N 3 1 335.455 3.137 20 0 EGADMP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCCCC[NH+]2CCNCC2)C1 ZINC000925846353 1325327183 /nfs/dbraw/zinc/32/71/83/1325327183.db2.gz LZRXYBRVOGTJDX-VQTJNVASSA-N 2 1 344.547 3.081 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000963907639 1325430038 /nfs/dbraw/zinc/43/00/38/1325430038.db2.gz FVUHYCMERFQDLX-KKXNLOMOSA-N 2 1 347.547 3.330 20 0 EGADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC000964185187 1325486504 /nfs/dbraw/zinc/48/65/04/1325486504.db2.gz MOCFYRLSENIXCC-IPJUCJBFSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](C)CCOCC[NH2+][C@H](c1cc2ccccc2o1)c1ccccn1 ZINC000926254271 1325492825 /nfs/dbraw/zinc/49/28/25/1325492825.db2.gz ITFZPZOLEQRYRG-FQEVSTJZSA-N 2 1 339.439 3.085 20 0 EGADMP C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000926302818 1325508591 /nfs/dbraw/zinc/50/85/91/1325508591.db2.gz GGDVTBJXENUQDL-MRXNPFEDSA-N 2 1 335.455 3.180 20 0 EGADMP OCCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926326338 1325516418 /nfs/dbraw/zinc/51/64/18/1325516418.db2.gz PRHHHILDYCRRSO-HKBOAZHASA-N 2 1 330.516 3.429 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CCC2)CC1 ZINC000964437027 1325525179 /nfs/dbraw/zinc/52/51/79/1325525179.db2.gz JUMVPTJOLLYUNO-ACBHZAAOSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857140682 1325579169 /nfs/dbraw/zinc/57/91/69/1325579169.db2.gz BGYRMROJVQGXSR-WOJBJXKFSA-N 2 1 343.515 3.052 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CC3CCCCC3)C2)CC[N@H+]1C ZINC001027418217 1327643056 /nfs/dbraw/zinc/64/30/56/1327643056.db2.gz UOZWZPKEDABQRN-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)CC3CCCCC3)C2)CC[NH+]1C ZINC001027418217 1327643059 /nfs/dbraw/zinc/64/30/59/1327643059.db2.gz UOZWZPKEDABQRN-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)CC3CCCCC3)C2)CC[NH+]1C ZINC001027418217 1327643064 /nfs/dbraw/zinc/64/30/64/1327643064.db2.gz UOZWZPKEDABQRN-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cc[nH]c(=O)c1 ZINC000926776442 1327711353 /nfs/dbraw/zinc/71/13/53/1327711353.db2.gz AQQXOOLRDXEIBL-BXWFABGCSA-N 2 1 325.456 3.206 20 0 EGADMP C[N@@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577093 1327915239 /nfs/dbraw/zinc/91/52/39/1327915239.db2.gz DLBPEGSTILXDFR-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001027577093 1327915246 /nfs/dbraw/zinc/91/52/46/1327915246.db2.gz DLBPEGSTILXDFR-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001027577093 1327915252 /nfs/dbraw/zinc/91/52/52/1327915252.db2.gz DLBPEGSTILXDFR-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027682853 1328080278 /nfs/dbraw/zinc/08/02/78/1328080278.db2.gz YESINBQORMBRCH-VQTJNVASSA-N 2 1 343.515 3.156 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027694023 1328100486 /nfs/dbraw/zinc/10/04/86/1328100486.db2.gz PBAJKVYPZVDPOL-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027694023 1328100489 /nfs/dbraw/zinc/10/04/89/1328100489.db2.gz PBAJKVYPZVDPOL-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027694023 1328100492 /nfs/dbraw/zinc/10/04/92/1328100492.db2.gz PBAJKVYPZVDPOL-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)CC3CC3)C2)o1 ZINC001027699871 1328113916 /nfs/dbraw/zinc/11/39/16/1328113916.db2.gz LIYDIWYGRWLBCY-QGZVFWFLSA-N 2 1 347.503 3.068 20 0 EGADMP C[C@H]1CC[N@@H+](CC2CCCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000966074538 1328170365 /nfs/dbraw/zinc/17/03/65/1328170365.db2.gz IJBZVOHWTALXGH-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001027878852 1328345264 /nfs/dbraw/zinc/34/52/64/1328345264.db2.gz JGTAMKWMWJXHLG-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC001027878852 1328345269 /nfs/dbraw/zinc/34/52/69/1328345269.db2.gz JGTAMKWMWJXHLG-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1=CCCCC1 ZINC001027878852 1328345275 /nfs/dbraw/zinc/34/52/75/1328345275.db2.gz JGTAMKWMWJXHLG-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CCC1CC1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885414 1328350954 /nfs/dbraw/zinc/35/09/54/1328350954.db2.gz DYANVOVDUKDYKI-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CCC1CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885414 1328350966 /nfs/dbraw/zinc/35/09/66/1328350966.db2.gz DYANVOVDUKDYKI-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CCC1CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885414 1328350971 /nfs/dbraw/zinc/35/09/71/1328350971.db2.gz DYANVOVDUKDYKI-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCCC2CCC2)C1 ZINC001027924046 1328402702 /nfs/dbraw/zinc/40/27/02/1328402702.db2.gz CILZUNADAHTQQK-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCCC2CCC2)C1 ZINC001027924046 1328402710 /nfs/dbraw/zinc/40/27/10/1328402710.db2.gz CILZUNADAHTQQK-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCCC2CCC2)C1 ZINC001027924046 1328402715 /nfs/dbraw/zinc/40/27/15/1328402715.db2.gz CILZUNADAHTQQK-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027973013 1328447528 /nfs/dbraw/zinc/44/75/28/1328447528.db2.gz ZYXREMYDAMKCAT-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC001027973013 1328447534 /nfs/dbraw/zinc/44/75/34/1328447534.db2.gz ZYXREMYDAMKCAT-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCCC1 ZINC001027973013 1328447541 /nfs/dbraw/zinc/44/75/41/1328447541.db2.gz ZYXREMYDAMKCAT-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001027986220 1328458037 /nfs/dbraw/zinc/45/80/37/1328458037.db2.gz URMYUPRPIUFIAZ-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001027986220 1328458041 /nfs/dbraw/zinc/45/80/41/1328458041.db2.gz URMYUPRPIUFIAZ-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCC1 ZINC001027986220 1328458047 /nfs/dbraw/zinc/45/80/47/1328458047.db2.gz URMYUPRPIUFIAZ-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CCC1=CCCCC1)C12CCC[NH+]1CCC2 ZINC001027992547 1328460039 /nfs/dbraw/zinc/46/00/39/1328460039.db2.gz CGOPPKKOKKDCGX-IBGZPJMESA-N 2 1 345.531 3.086 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CCC1CCCC1)c1ccn2c[nH+]cc2c1 ZINC001028003268 1328464646 /nfs/dbraw/zinc/46/46/46/1328464646.db2.gz LYZQHAFGGFPEFB-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000862483286 1329490048 /nfs/dbraw/zinc/49/00/48/1329490048.db2.gz RZYJIYOAHHCODC-CGZBRXJRSA-N 2 1 339.524 3.001 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC000865417271 1329694453 /nfs/dbraw/zinc/69/44/53/1329694453.db2.gz FEIYSLPASVTTII-GOSISDBHSA-N 2 1 347.503 3.143 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932190479 1329792928 /nfs/dbraw/zinc/79/29/28/1329792928.db2.gz MTFCWVAKTNIDEI-AWEZNQCLSA-N 2 1 330.501 3.178 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932190479 1329792929 /nfs/dbraw/zinc/79/29/29/1329792929.db2.gz MTFCWVAKTNIDEI-AWEZNQCLSA-N 2 1 330.501 3.178 20 0 EGADMP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000934074046 1329944302 /nfs/dbraw/zinc/94/43/02/1329944302.db2.gz UCFMRIYBBPOMGS-KRWDZBQOSA-N 2 1 345.491 3.020 20 0 EGADMP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2Cl)CC1 ZINC000866660826 1330138767 /nfs/dbraw/zinc/13/87/67/1330138767.db2.gz MWBINGCODKONDL-CQSZACIVSA-N 2 1 337.895 3.297 20 0 EGADMP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000866665888 1330139123 /nfs/dbraw/zinc/13/91/23/1330139123.db2.gz JZANIFNEZGCHAC-GDBMZVCRSA-N 2 1 349.906 3.297 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000866666321 1330139554 /nfs/dbraw/zinc/13/95/54/1330139554.db2.gz QJHQBJPTRMNOOH-JENIJYKNSA-N 2 1 329.488 3.034 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CC1CCCCCC1 ZINC000939137247 1330384195 /nfs/dbraw/zinc/38/41/95/1330384195.db2.gz GCLYABZDPKBWNN-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CCC2)CC1(C)C)[NH+]1CCCCC1 ZINC000940747855 1331177530 /nfs/dbraw/zinc/17/75/30/1331177530.db2.gz PYPVXADDEFACNP-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC2CCC2)CC1(C)C ZINC000941067778 1331318119 /nfs/dbraw/zinc/31/81/19/1331318119.db2.gz IQBNCFXSFNKXSL-KRWDZBQOSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC2CCC2)CC1(C)C ZINC000941067778 1331318124 /nfs/dbraw/zinc/31/81/24/1331318124.db2.gz IQBNCFXSFNKXSL-KRWDZBQOSA-N 2 1 346.519 3.023 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941093889 1331330035 /nfs/dbraw/zinc/33/00/35/1331330035.db2.gz UTUPFCBVFIIWBY-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP C[C@H]1C[N@@H+](CCC2CCCC2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256334 1331890364 /nfs/dbraw/zinc/89/03/64/1331890364.db2.gz DMBRKJFEYQRWPQ-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942518505 1331950441 /nfs/dbraw/zinc/95/04/41/1331950441.db2.gz SMEVPVLDIOFPIK-DNVCBOLYSA-N 2 1 342.487 3.211 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCC2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942558552 1331973005 /nfs/dbraw/zinc/97/30/05/1331973005.db2.gz YFYTXWIEQZADGF-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCC2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821119 1332042338 /nfs/dbraw/zinc/04/23/38/1332042338.db2.gz BSXIIMKUCUXFOA-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCC2)CC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821119 1332042339 /nfs/dbraw/zinc/04/23/39/1332042339.db2.gz BSXIIMKUCUXFOA-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCC2)CC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821119 1332042341 /nfs/dbraw/zinc/04/23/41/1332042341.db2.gz BSXIIMKUCUXFOA-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586636 1332858301 /nfs/dbraw/zinc/85/83/01/1332858301.db2.gz QEFJOLBNQKRYFF-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586636 1332858303 /nfs/dbraw/zinc/85/83/03/1332858303.db2.gz QEFJOLBNQKRYFF-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586636 1332858305 /nfs/dbraw/zinc/85/83/05/1332858305.db2.gz QEFJOLBNQKRYFF-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H](C)CC)C[C@H]2CC1 ZINC000946615556 1332863570 /nfs/dbraw/zinc/86/35/70/1332863570.db2.gz NYEIHQUCBIVDCN-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)CC)C[C@H]2CC1 ZINC000946615556 1332863572 /nfs/dbraw/zinc/86/35/72/1332863572.db2.gz NYEIHQUCBIVDCN-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)CC)C[C@H]2CC1 ZINC000946615556 1332863576 /nfs/dbraw/zinc/86/35/76/1332863576.db2.gz NYEIHQUCBIVDCN-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631448 1332866381 /nfs/dbraw/zinc/86/63/81/1332866381.db2.gz IHVODWBBEGZXMC-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946631448 1332866383 /nfs/dbraw/zinc/86/63/83/1332866383.db2.gz IHVODWBBEGZXMC-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946631448 1332866385 /nfs/dbraw/zinc/86/63/85/1332866385.db2.gz IHVODWBBEGZXMC-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C(C)C)C[C@H]2CC1 ZINC000946856920 1332917289 /nfs/dbraw/zinc/91/72/89/1332917289.db2.gz UIJYPSVZIWUFAI-ZCNNSNEGSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C(C)C)C[C@H]2CC1 ZINC000946856920 1332917290 /nfs/dbraw/zinc/91/72/90/1332917290.db2.gz UIJYPSVZIWUFAI-ZCNNSNEGSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C(C)C)C[C@H]2CC1 ZINC000946856920 1332917296 /nfs/dbraw/zinc/91/72/96/1332917296.db2.gz UIJYPSVZIWUFAI-ZCNNSNEGSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947309866 1333084492 /nfs/dbraw/zinc/08/44/92/1333084492.db2.gz IIXCNSLYPUFVRT-ZWKOTPCHSA-N 2 1 335.536 3.186 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000947615363 1333193392 /nfs/dbraw/zinc/19/33/92/1333193392.db2.gz ICWRHJSATVJRGL-HKUYNNGSSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1CC(C)(C)C1 ZINC000947615830 1333194153 /nfs/dbraw/zinc/19/41/53/1333194153.db2.gz LSMACOHJKQDSEK-WMZOPIPTSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)[C@@H](C)C1 ZINC000947771505 1333256338 /nfs/dbraw/zinc/25/63/38/1333256338.db2.gz MOVMBMQBVJLOMJ-FUHWJXTLSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)[C@@H](C)C1 ZINC000947771505 1333256341 /nfs/dbraw/zinc/25/63/41/1333256341.db2.gz MOVMBMQBVJLOMJ-FUHWJXTLSA-N 2 1 346.519 3.166 20 0 EGADMP C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC1=CCCCC1 ZINC000947780190 1333259634 /nfs/dbraw/zinc/25/96/34/1333259634.db2.gz XGZUVWRVPZIQCK-FXAWDEMLSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947881876 1333289625 /nfs/dbraw/zinc/28/96/25/1333289625.db2.gz KNCWPAWZUHMWEY-PKOBYXMFSA-N 2 1 335.536 3.042 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1C/C=C/Cl ZINC000948065474 1333361406 /nfs/dbraw/zinc/36/14/06/1333361406.db2.gz JVKZJXQCTSWWAO-COXPPRJISA-N 2 1 349.906 3.083 20 0 EGADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC000948245210 1333439469 /nfs/dbraw/zinc/43/94/69/1333439469.db2.gz NFEPGKHGFKWMMF-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC000948245210 1333439472 /nfs/dbraw/zinc/43/94/72/1333439472.db2.gz NFEPGKHGFKWMMF-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC000948245210 1333439473 /nfs/dbraw/zinc/43/94/73/1333439473.db2.gz NFEPGKHGFKWMMF-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948365707 1333496071 /nfs/dbraw/zinc/49/60/71/1333496071.db2.gz RWCHNLIOABWRIS-OALUTQOASA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948365707 1333496073 /nfs/dbraw/zinc/49/60/73/1333496073.db2.gz RWCHNLIOABWRIS-OALUTQOASA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948365707 1333496074 /nfs/dbraw/zinc/49/60/74/1333496074.db2.gz RWCHNLIOABWRIS-OALUTQOASA-N 2 1 335.536 3.138 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473956 1333540163 /nfs/dbraw/zinc/54/01/63/1333540163.db2.gz NQQHVRPNZPCFFU-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000948552781 1333571448 /nfs/dbraw/zinc/57/14/48/1333571448.db2.gz BLPMVERJZRHNBQ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC000948552781 1333571449 /nfs/dbraw/zinc/57/14/49/1333571449.db2.gz BLPMVERJZRHNBQ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC000948552781 1333571452 /nfs/dbraw/zinc/57/14/52/1333571452.db2.gz BLPMVERJZRHNBQ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC(C)C)CC1 ZINC000948574342 1333582402 /nfs/dbraw/zinc/58/24/02/1333582402.db2.gz FILLMZOSIXEVMO-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC(C)C)CC1 ZINC000948574342 1333582405 /nfs/dbraw/zinc/58/24/05/1333582405.db2.gz FILLMZOSIXEVMO-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC(C)C)CC1 ZINC000948574342 1333582407 /nfs/dbraw/zinc/58/24/07/1333582407.db2.gz FILLMZOSIXEVMO-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CCCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575517 1333583210 /nfs/dbraw/zinc/58/32/10/1333583210.db2.gz ZPPZHMVXKYJOGF-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948575517 1333583214 /nfs/dbraw/zinc/58/32/14/1333583214.db2.gz ZPPZHMVXKYJOGF-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948575517 1333583217 /nfs/dbraw/zinc/58/32/17/1333583217.db2.gz ZPPZHMVXKYJOGF-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC=C(C)C)CC2)C1 ZINC000948711379 1333643030 /nfs/dbraw/zinc/64/30/30/1333643030.db2.gz PACCPVOXRFPKGN-PMACEKPBSA-N 2 1 349.563 3.388 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CC=C(C)C)CC2)C1 ZINC000948711379 1333643032 /nfs/dbraw/zinc/64/30/32/1333643032.db2.gz PACCPVOXRFPKGN-PMACEKPBSA-N 2 1 349.563 3.388 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CC=C(C)C)CC2)C1 ZINC000948711379 1333643035 /nfs/dbraw/zinc/64/30/35/1333643035.db2.gz PACCPVOXRFPKGN-PMACEKPBSA-N 2 1 349.563 3.388 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CCC[NH+](CCC3CCCC3)CC2)C1 ZINC000948765860 1333668682 /nfs/dbraw/zinc/66/86/82/1333668682.db2.gz DKSULBOLKSAWGB-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@H+](CCC3CCCC3)CC2)C1 ZINC000948765860 1333668685 /nfs/dbraw/zinc/66/86/85/1333668685.db2.gz DKSULBOLKSAWGB-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@@H+](CCC3CCCC3)CC2)C1 ZINC000948765860 1333668686 /nfs/dbraw/zinc/66/86/86/1333668686.db2.gz DKSULBOLKSAWGB-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC000948775479 1333673953 /nfs/dbraw/zinc/67/39/53/1333673953.db2.gz JOFPUYMYSFJXQU-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC000948775479 1333673957 /nfs/dbraw/zinc/67/39/57/1333673957.db2.gz JOFPUYMYSFJXQU-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000948775479 1333673961 /nfs/dbraw/zinc/67/39/61/1333673961.db2.gz JOFPUYMYSFJXQU-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC000949012074 1333765313 /nfs/dbraw/zinc/76/53/13/1333765313.db2.gz NOLOJXGKPAGJDJ-UHFFFAOYSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+](CCC3CCCCC3)C2)CC[N@H+]1C ZINC000950367881 1334051619 /nfs/dbraw/zinc/05/16/19/1334051619.db2.gz QIKVJJWUDXHFSO-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1C[NH+](CCCC2CCC2)C1 ZINC000950614189 1334097404 /nfs/dbraw/zinc/09/74/04/1334097404.db2.gz ALUFCGWJAHVAJI-QUCCMNQESA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1C[NH+](CCCC2CCC2)C1 ZINC000950614189 1334097407 /nfs/dbraw/zinc/09/74/07/1334097407.db2.gz ALUFCGWJAHVAJI-QUCCMNQESA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CC[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000967265122 1335681359 /nfs/dbraw/zinc/68/13/59/1335681359.db2.gz SINBFNRFWAEWMP-MAUKXSAKSA-N 2 1 342.487 3.211 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968378070 1335910161 /nfs/dbraw/zinc/91/01/61/1335910161.db2.gz MYDYUCZRGYFZPC-FUHWJXTLSA-N 2 1 348.535 3.269 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968378070 1335910163 /nfs/dbraw/zinc/91/01/63/1335910163.db2.gz MYDYUCZRGYFZPC-FUHWJXTLSA-N 2 1 348.535 3.269 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968378072 1335910400 /nfs/dbraw/zinc/91/04/00/1335910400.db2.gz MYDYUCZRGYFZPC-WMZOPIPTSA-N 2 1 348.535 3.269 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968378072 1335910402 /nfs/dbraw/zinc/91/04/02/1335910402.db2.gz MYDYUCZRGYFZPC-WMZOPIPTSA-N 2 1 348.535 3.269 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@H]2C)CC1 ZINC000968459556 1335931338 /nfs/dbraw/zinc/93/13/38/1335931338.db2.gz MQTKQPKMOMVDKQ-UYAOXDASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968850391 1336067561 /nfs/dbraw/zinc/06/75/61/1336067561.db2.gz XTPCNXOMJDJUDY-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000968850391 1336067563 /nfs/dbraw/zinc/06/75/63/1336067563.db2.gz XTPCNXOMJDJUDY-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000968850391 1336067567 /nfs/dbraw/zinc/06/75/67/1336067567.db2.gz XTPCNXOMJDJUDY-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000968858930 1336071026 /nfs/dbraw/zinc/07/10/26/1336071026.db2.gz JZWOTPGHEJAQNG-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000968858930 1336071028 /nfs/dbraw/zinc/07/10/28/1336071028.db2.gz JZWOTPGHEJAQNG-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000968858930 1336071030 /nfs/dbraw/zinc/07/10/30/1336071030.db2.gz JZWOTPGHEJAQNG-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC(C)C ZINC000968882436 1336078930 /nfs/dbraw/zinc/07/89/30/1336078930.db2.gz NTTBHHBOCMSOHO-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCC(C)C ZINC000968882436 1336078932 /nfs/dbraw/zinc/07/89/32/1336078932.db2.gz NTTBHHBOCMSOHO-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCC(C)C ZINC000968882436 1336078933 /nfs/dbraw/zinc/07/89/33/1336078933.db2.gz NTTBHHBOCMSOHO-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968888078 1336080282 /nfs/dbraw/zinc/08/02/82/1336080282.db2.gz QTUZRFWAOKVBST-MSOLQXFVSA-N 2 1 344.503 3.088 20 0 EGADMP CC(C)=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968888078 1336080286 /nfs/dbraw/zinc/08/02/86/1336080286.db2.gz QTUZRFWAOKVBST-MSOLQXFVSA-N 2 1 344.503 3.088 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1=CCCCC1 ZINC000968920224 1336088561 /nfs/dbraw/zinc/08/85/61/1336088561.db2.gz RFEPPYUTGLWPOU-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1=CCCCC1 ZINC000968920224 1336088562 /nfs/dbraw/zinc/08/85/62/1336088562.db2.gz RFEPPYUTGLWPOU-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1=CCCCC1 ZINC000968920224 1336088565 /nfs/dbraw/zinc/08/85/65/1336088565.db2.gz RFEPPYUTGLWPOU-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1=CCCCC1 ZINC000968920224 1336088566 /nfs/dbraw/zinc/08/85/66/1336088566.db2.gz RFEPPYUTGLWPOU-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969153588 1336164585 /nfs/dbraw/zinc/16/45/85/1336164585.db2.gz KQFRBZITGFMDOU-FQEVSTJZSA-N 2 1 345.531 3.379 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCCCC[N@H+]2CCCF)c1 ZINC000969153303 1336164675 /nfs/dbraw/zinc/16/46/75/1336164675.db2.gz FHZJIGOICROFEA-LJQANCHMSA-N 2 1 349.494 3.082 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CCC3=CCCCC3)C2)CC[N@H+]1C ZINC000969706293 1336238523 /nfs/dbraw/zinc/23/85/23/1336238523.db2.gz KNGDURBFOCKOPA-LSTHTHJFSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC000970029159 1336272864 /nfs/dbraw/zinc/27/28/64/1336272864.db2.gz XUNILWIIEYUSNC-XLIONFOSSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2=CCCCC2)C1 ZINC000970528728 1336317725 /nfs/dbraw/zinc/31/77/25/1336317725.db2.gz JGKCRAJZCMLAFN-XLIONFOSSA-N 2 1 347.547 3.186 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001005593708 1336376804 /nfs/dbraw/zinc/37/68/04/1336376804.db2.gz SFMNLQNBFAFEDY-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CC(C)C)CC1 ZINC001006279815 1336481156 /nfs/dbraw/zinc/48/11/56/1336481156.db2.gz SRORHLYXICBVOF-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001007457133 1336650081 /nfs/dbraw/zinc/65/00/81/1336650081.db2.gz IORXAIJZAWWIKQ-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001007457133 1336650083 /nfs/dbraw/zinc/65/00/83/1336650083.db2.gz IORXAIJZAWWIKQ-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001007457133 1336650084 /nfs/dbraw/zinc/65/00/84/1336650084.db2.gz IORXAIJZAWWIKQ-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3CCCCC3)C2)C1 ZINC001008281855 1336814188 /nfs/dbraw/zinc/81/41/88/1336814188.db2.gz WXPOBSWHXANLTA-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)C1 ZINC001008281855 1336814190 /nfs/dbraw/zinc/81/41/90/1336814190.db2.gz WXPOBSWHXANLTA-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)C1 ZINC001008281855 1336814193 /nfs/dbraw/zinc/81/41/93/1336814193.db2.gz WXPOBSWHXANLTA-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(Br)c2)CCC[C@@H]1C[NH3+] ZINC001205995853 1370932855 /nfs/dbraw/zinc/93/28/55/1370932855.db2.gz RDDGTVKSKROMSQ-WCQYABFASA-N 2 1 329.257 3.395 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001008541573 1336877800 /nfs/dbraw/zinc/87/78/00/1336877800.db2.gz RLXKEVBCMKRHKB-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001008541573 1336877802 /nfs/dbraw/zinc/87/78/02/1336877802.db2.gz RLXKEVBCMKRHKB-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001008541573 1336877808 /nfs/dbraw/zinc/87/78/08/1336877808.db2.gz RLXKEVBCMKRHKB-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@H](NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)cs1 ZINC001014724854 1337885819 /nfs/dbraw/zinc/88/58/19/1337885819.db2.gz XRFQRZULCHWNBL-MSOLQXFVSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)cs1 ZINC001014724854 1337885822 /nfs/dbraw/zinc/88/58/22/1337885822.db2.gz XRFQRZULCHWNBL-MSOLQXFVSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)cs1 ZINC001014724854 1337885826 /nfs/dbraw/zinc/88/58/26/1337885826.db2.gz XRFQRZULCHWNBL-MSOLQXFVSA-N 2 1 349.544 3.010 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CC2=CCCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001014724940 1337886726 /nfs/dbraw/zinc/88/67/26/1337886726.db2.gz YBQBLXLYMWWKHR-ICSRJNTNSA-N 2 1 345.531 3.084 20 0 EGADMP O=C(N[C@H]1CC[NH+](CC2=CCCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001014724940 1337886728 /nfs/dbraw/zinc/88/67/28/1337886728.db2.gz YBQBLXLYMWWKHR-ICSRJNTNSA-N 2 1 345.531 3.084 20 0 EGADMP O=C(N[C@H]1CC[NH+](CC2=CCCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001014724940 1337886734 /nfs/dbraw/zinc/88/67/34/1337886734.db2.gz YBQBLXLYMWWKHR-ICSRJNTNSA-N 2 1 345.531 3.084 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001015053822 1338003317 /nfs/dbraw/zinc/00/33/17/1338003317.db2.gz STYISNAXEQCSPX-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001015053822 1338003320 /nfs/dbraw/zinc/00/33/20/1338003320.db2.gz STYISNAXEQCSPX-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001015053822 1338003324 /nfs/dbraw/zinc/00/33/24/1338003324.db2.gz STYISNAXEQCSPX-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015710782 1338270583 /nfs/dbraw/zinc/27/05/83/1338270583.db2.gz RTCPHXSNZRXSDX-RBUKOAKNSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001015710782 1338270616 /nfs/dbraw/zinc/27/06/16/1338270616.db2.gz RTCPHXSNZRXSDX-RBUKOAKNSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001015710782 1338270648 /nfs/dbraw/zinc/27/06/48/1338270648.db2.gz RTCPHXSNZRXSDX-RBUKOAKNSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796802 1338315743 /nfs/dbraw/zinc/31/57/43/1338315743.db2.gz RAUNPJFLVZOBJB-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001016250650 1338524906 /nfs/dbraw/zinc/52/49/06/1338524906.db2.gz DYONKGXIOBAFGX-PXNSSMCTSA-N 2 1 343.515 3.157 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)C1CCC1 ZINC001017141759 1338893301 /nfs/dbraw/zinc/89/33/01/1338893301.db2.gz IMIWEMNCNGLSHN-KRWDZBQOSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001017141759 1338893307 /nfs/dbraw/zinc/89/33/07/1338893307.db2.gz IMIWEMNCNGLSHN-KRWDZBQOSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001017141759 1338893311 /nfs/dbraw/zinc/89/33/11/1338893311.db2.gz IMIWEMNCNGLSHN-KRWDZBQOSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001017141001 1338894296 /nfs/dbraw/zinc/89/42/96/1338894296.db2.gz BDEYDWSZPMGORD-UYAOXDASSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001017152020 1338901575 /nfs/dbraw/zinc/90/15/75/1338901575.db2.gz KDMQYNJCPJLTNZ-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001017152020 1338901578 /nfs/dbraw/zinc/90/15/78/1338901578.db2.gz KDMQYNJCPJLTNZ-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001017152020 1338901581 /nfs/dbraw/zinc/90/15/81/1338901581.db2.gz KDMQYNJCPJLTNZ-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001017151964 1338902167 /nfs/dbraw/zinc/90/21/67/1338902167.db2.gz JHYANWJVMIBABJ-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001017151964 1338902170 /nfs/dbraw/zinc/90/21/70/1338902170.db2.gz JHYANWJVMIBABJ-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001017151964 1338902173 /nfs/dbraw/zinc/90/21/73/1338902173.db2.gz JHYANWJVMIBABJ-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCC2)C1 ZINC001017228934 1338967835 /nfs/dbraw/zinc/96/78/35/1338967835.db2.gz UDBRAOVHRHHUDS-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001017228934 1338967837 /nfs/dbraw/zinc/96/78/37/1338967837.db2.gz UDBRAOVHRHHUDS-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017228934 1338967839 /nfs/dbraw/zinc/96/78/39/1338967839.db2.gz UDBRAOVHRHHUDS-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001018304494 1339569892 /nfs/dbraw/zinc/56/98/92/1339569892.db2.gz GLOGIPWAMDOMJB-KDURUIRLSA-N 2 1 341.499 3.003 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001018304494 1339569893 /nfs/dbraw/zinc/56/98/93/1339569893.db2.gz GLOGIPWAMDOMJB-KDURUIRLSA-N 2 1 341.499 3.003 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+]2CCC(C)(C)C)C1 ZINC001028089363 1340418647 /nfs/dbraw/zinc/41/86/47/1340418647.db2.gz ZQHKJRAKQSZIJJ-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCC(C)(C)C)C1 ZINC001028089363 1340418650 /nfs/dbraw/zinc/41/86/50/1340418650.db2.gz ZQHKJRAKQSZIJJ-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCC(C)(C)C)C1 ZINC001028089363 1340418653 /nfs/dbraw/zinc/41/86/53/1340418653.db2.gz ZQHKJRAKQSZIJJ-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCCC2CCC2)CC1 ZINC001028234857 1340497576 /nfs/dbraw/zinc/49/75/76/1340497576.db2.gz JGAOLSFANLUYNM-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001028537699 1340692992 /nfs/dbraw/zinc/69/29/92/1340692992.db2.gz QJXKEZCPSRAUSM-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001028537699 1340692994 /nfs/dbraw/zinc/69/29/94/1340692994.db2.gz QJXKEZCPSRAUSM-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001028537699 1340692997 /nfs/dbraw/zinc/69/29/97/1340692997.db2.gz QJXKEZCPSRAUSM-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001028537961 1340693265 /nfs/dbraw/zinc/69/32/65/1340693265.db2.gz WKAKSIGQCQDAJR-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001028537961 1340693267 /nfs/dbraw/zinc/69/32/67/1340693267.db2.gz WKAKSIGQCQDAJR-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001028537961 1340693271 /nfs/dbraw/zinc/69/32/71/1340693271.db2.gz WKAKSIGQCQDAJR-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001028580383 1340713112 /nfs/dbraw/zinc/71/31/12/1340713112.db2.gz VOLAWAGEJDFLDE-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001028580383 1340713115 /nfs/dbraw/zinc/71/31/15/1340713115.db2.gz VOLAWAGEJDFLDE-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001028580383 1340713118 /nfs/dbraw/zinc/71/31/18/1340713118.db2.gz VOLAWAGEJDFLDE-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001028845588 1340856893 /nfs/dbraw/zinc/85/68/93/1340856893.db2.gz NCNCPAZYPXWIAF-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001028845588 1340856898 /nfs/dbraw/zinc/85/68/98/1340856898.db2.gz NCNCPAZYPXWIAF-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001028845588 1340856904 /nfs/dbraw/zinc/85/69/04/1340856904.db2.gz NCNCPAZYPXWIAF-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001028918637 1340883992 /nfs/dbraw/zinc/88/39/92/1340883992.db2.gz KFBYIIBOGAIVCJ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001028918637 1340883994 /nfs/dbraw/zinc/88/39/94/1340883994.db2.gz KFBYIIBOGAIVCJ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001028918637 1340883997 /nfs/dbraw/zinc/88/39/97/1340883997.db2.gz KFBYIIBOGAIVCJ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001029135470 1340939655 /nfs/dbraw/zinc/93/96/55/1340939655.db2.gz UCKADOHBEWDSSK-ZWOKBUDYSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029172214 1340948233 /nfs/dbraw/zinc/94/82/33/1340948233.db2.gz AAVBKCRKVWLMMT-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)C1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CCCCC2)CCC1 ZINC001029337985 1340973950 /nfs/dbraw/zinc/97/39/50/1340973950.db2.gz YUSLSBGMFZLYGN-KDURUIRLSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001029359510 1340977167 /nfs/dbraw/zinc/97/71/67/1340977167.db2.gz ATVZZYAMLRXZQW-ZCNNSNEGSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1=CCCCC1 ZINC001029359510 1340977172 /nfs/dbraw/zinc/97/71/72/1340977172.db2.gz ATVZZYAMLRXZQW-ZCNNSNEGSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1=CCCCC1 ZINC001029359510 1340977173 /nfs/dbraw/zinc/97/71/73/1340977173.db2.gz ATVZZYAMLRXZQW-ZCNNSNEGSA-N 2 1 345.531 3.036 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)CC ZINC001029550187 1341010716 /nfs/dbraw/zinc/01/07/16/1341010716.db2.gz DDALTRVTIBASAZ-HAGHYFMRSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)CC ZINC001029550187 1341010717 /nfs/dbraw/zinc/01/07/17/1341010717.db2.gz DDALTRVTIBASAZ-HAGHYFMRSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001029550187 1341010718 /nfs/dbraw/zinc/01/07/18/1341010718.db2.gz DDALTRVTIBASAZ-HAGHYFMRSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029738759 1341059345 /nfs/dbraw/zinc/05/93/45/1341059345.db2.gz DCTPMXXEPVZCAX-VQTJNVASSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001029738759 1341059348 /nfs/dbraw/zinc/05/93/48/1341059348.db2.gz DCTPMXXEPVZCAX-VQTJNVASSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001029738759 1341059349 /nfs/dbraw/zinc/05/93/49/1341059349.db2.gz DCTPMXXEPVZCAX-VQTJNVASSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001029755450 1341064295 /nfs/dbraw/zinc/06/42/95/1341064295.db2.gz NETZQYIHWOPEIQ-ROUUACIJSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001029755450 1341064296 /nfs/dbraw/zinc/06/42/96/1341064296.db2.gz NETZQYIHWOPEIQ-ROUUACIJSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001029755450 1341064297 /nfs/dbraw/zinc/06/42/97/1341064297.db2.gz NETZQYIHWOPEIQ-ROUUACIJSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC001029755116 1341064349 /nfs/dbraw/zinc/06/43/49/1341064349.db2.gz HZUPBYCOLAYRTD-QUCCMNQESA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](C[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1)CC1CCCCC1 ZINC001029842635 1341093013 /nfs/dbraw/zinc/09/30/13/1341093013.db2.gz UKVWGKYSUHBQEZ-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1)CC1CCCCC1 ZINC001029842635 1341093014 /nfs/dbraw/zinc/09/30/14/1341093014.db2.gz UKVWGKYSUHBQEZ-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1)CC1CCCCC1 ZINC001029842635 1341093015 /nfs/dbraw/zinc/09/30/15/1341093015.db2.gz UKVWGKYSUHBQEZ-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C(=O)N1CCC(C[N@@H+](C)[C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001029996760 1341151394 /nfs/dbraw/zinc/15/13/94/1341151394.db2.gz KYJNCBKHQGSQTA-XLIONFOSSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@H](C(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001030002914 1341153724 /nfs/dbraw/zinc/15/37/24/1341153724.db2.gz SKHWVTJSCWLBJB-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001030442004 1341187666 /nfs/dbraw/zinc/18/76/66/1341187666.db2.gz JTYCKKFEJGFEAV-IBGZPJMESA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001030595093 1341199623 /nfs/dbraw/zinc/19/96/23/1341199623.db2.gz ZSQANSUXTAGTSV-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001030595093 1341199624 /nfs/dbraw/zinc/19/96/24/1341199624.db2.gz ZSQANSUXTAGTSV-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CC1(C)CCC(C[NH+]2CC(NC(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)CC1 ZINC001031082586 1341275551 /nfs/dbraw/zinc/27/55/51/1341275551.db2.gz QMYJRMZZRYYYGE-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CCC(C[NH+]2CC(NC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)CC1 ZINC001031082586 1341275554 /nfs/dbraw/zinc/27/55/54/1341275554.db2.gz QMYJRMZZRYYYGE-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCCC2CCCC2)C1 ZINC001031234550 1341300997 /nfs/dbraw/zinc/30/09/97/1341300997.db2.gz CSSVBHLRNARRBB-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCCC2CCCC2)C1 ZINC001031234550 1341300999 /nfs/dbraw/zinc/30/09/99/1341300999.db2.gz CSSVBHLRNARRBB-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001031766737 1341399196 /nfs/dbraw/zinc/39/91/96/1341399196.db2.gz MLFIIVOEAYNFRK-VQTJNVASSA-N 2 1 347.547 3.022 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033319370 1341779852 /nfs/dbraw/zinc/77/98/52/1341779852.db2.gz PSGUYPQFGBLKLP-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033319306 1341779996 /nfs/dbraw/zinc/77/99/96/1341779996.db2.gz PFIFWZUHAUZAAR-MJGOQNOKSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033416742 1341821048 /nfs/dbraw/zinc/82/10/48/1341821048.db2.gz RGHXWTVAKFTKFZ-IEBWSBKVSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001033416742 1341821049 /nfs/dbraw/zinc/82/10/49/1341821049.db2.gz RGHXWTVAKFTKFZ-IEBWSBKVSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001033416742 1341821050 /nfs/dbraw/zinc/82/10/50/1341821050.db2.gz RGHXWTVAKFTKFZ-IEBWSBKVSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001033466000 1341836915 /nfs/dbraw/zinc/83/69/15/1341836915.db2.gz BLLWDTXKHBDKKN-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033472655 1341839982 /nfs/dbraw/zinc/83/99/82/1341839982.db2.gz ZRRVAJGLHVMPDP-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033472655 1341839984 /nfs/dbraw/zinc/83/99/84/1341839984.db2.gz ZRRVAJGLHVMPDP-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033472655 1341839993 /nfs/dbraw/zinc/83/99/93/1341839993.db2.gz ZRRVAJGLHVMPDP-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001033570495 1341878579 /nfs/dbraw/zinc/87/85/79/1341878579.db2.gz AXTNFMNKUCZSKJ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033570495 1341878581 /nfs/dbraw/zinc/87/85/81/1341878581.db2.gz AXTNFMNKUCZSKJ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033570495 1341878584 /nfs/dbraw/zinc/87/85/84/1341878584.db2.gz AXTNFMNKUCZSKJ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033683546 1341949613 /nfs/dbraw/zinc/94/96/13/1341949613.db2.gz HWPRWNPGXWUNPV-FQEVSTJZSA-N 2 1 345.531 3.331 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033927772 1342092176 /nfs/dbraw/zinc/09/21/76/1342092176.db2.gz PDSLRGBBKLAINW-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033927772 1342092178 /nfs/dbraw/zinc/09/21/78/1342092178.db2.gz PDSLRGBBKLAINW-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033927772 1342092183 /nfs/dbraw/zinc/09/21/83/1342092183.db2.gz PDSLRGBBKLAINW-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033933422 1342096315 /nfs/dbraw/zinc/09/63/15/1342096315.db2.gz BPQRMJKKMSQDFI-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033933422 1342096317 /nfs/dbraw/zinc/09/63/17/1342096317.db2.gz BPQRMJKKMSQDFI-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033933422 1342096318 /nfs/dbraw/zinc/09/63/18/1342096318.db2.gz BPQRMJKKMSQDFI-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034211511 1342321283 /nfs/dbraw/zinc/32/12/83/1342321283.db2.gz NLPOCUIIJDWHKO-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034212977 1342322224 /nfs/dbraw/zinc/32/22/24/1342322224.db2.gz SOAFPXIHLQRSPC-MOPGFXCFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034212977 1342322228 /nfs/dbraw/zinc/32/22/28/1342322228.db2.gz SOAFPXIHLQRSPC-MOPGFXCFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034212977 1342322231 /nfs/dbraw/zinc/32/22/31/1342322231.db2.gz SOAFPXIHLQRSPC-MOPGFXCFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034238481 1342339259 /nfs/dbraw/zinc/33/92/59/1342339259.db2.gz CQMKEOMYQIFZID-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCCCC2)C1 ZINC001034238481 1342339263 /nfs/dbraw/zinc/33/92/63/1342339263.db2.gz CQMKEOMYQIFZID-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCCC2)C1 ZINC001034238481 1342339265 /nfs/dbraw/zinc/33/92/65/1342339265.db2.gz CQMKEOMYQIFZID-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC(CC)CC)C1 ZINC001034239205 1342340100 /nfs/dbraw/zinc/34/01/00/1342340100.db2.gz JBAWOOALEWJISB-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC(CC)CC)C1 ZINC001034239205 1342340106 /nfs/dbraw/zinc/34/01/06/1342340106.db2.gz JBAWOOALEWJISB-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC(CC)CC)C1 ZINC001034239205 1342340110 /nfs/dbraw/zinc/34/01/10/1342340110.db2.gz JBAWOOALEWJISB-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034271519 1342361924 /nfs/dbraw/zinc/36/19/24/1342361924.db2.gz OITRPVWWMQBUTP-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CCCCC2)C1 ZINC001034271519 1342361926 /nfs/dbraw/zinc/36/19/26/1342361926.db2.gz OITRPVWWMQBUTP-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001034271519 1342361927 /nfs/dbraw/zinc/36/19/27/1342361927.db2.gz OITRPVWWMQBUTP-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289023 1342375335 /nfs/dbraw/zinc/37/53/35/1342375335.db2.gz RPJFYSQCYMKKHA-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034289023 1342375337 /nfs/dbraw/zinc/37/53/37/1342375337.db2.gz RPJFYSQCYMKKHA-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034289023 1342375340 /nfs/dbraw/zinc/37/53/40/1342375340.db2.gz RPJFYSQCYMKKHA-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CC1(C)CC(C[N@H+]2CCCC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001034289665 1342375965 /nfs/dbraw/zinc/37/59/65/1342375965.db2.gz AMOADKSSHSCMBF-SFHVURJKSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034308390 1342391528 /nfs/dbraw/zinc/39/15/28/1342391528.db2.gz AXSCTCLXSQGCTP-GOSISDBHSA-N 2 1 342.487 3.355 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034360473 1342432560 /nfs/dbraw/zinc/43/25/60/1342432560.db2.gz IYCZNPUPWIQNIA-MJGOQNOKSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034360473 1342432561 /nfs/dbraw/zinc/43/25/61/1342432561.db2.gz IYCZNPUPWIQNIA-MJGOQNOKSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034360473 1342432562 /nfs/dbraw/zinc/43/25/62/1342432562.db2.gz IYCZNPUPWIQNIA-MJGOQNOKSA-N 2 1 335.536 3.163 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCCC[NH+](CCC(C)C)C2)C1 ZINC001034367712 1342437589 /nfs/dbraw/zinc/43/75/89/1342437589.db2.gz HIEXWOOFNMSTDB-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCC(C)C)C2)C1 ZINC001034367712 1342437592 /nfs/dbraw/zinc/43/75/92/1342437592.db2.gz HIEXWOOFNMSTDB-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCC(C)C)C2)C1 ZINC001034367712 1342437594 /nfs/dbraw/zinc/43/75/94/1342437594.db2.gz HIEXWOOFNMSTDB-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CCC3CCCCC3)C2)CC1 ZINC001034385361 1342453626 /nfs/dbraw/zinc/45/36/26/1342453626.db2.gz LFNTXAVHATUPKC-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CC2)C1 ZINC001034481937 1342538697 /nfs/dbraw/zinc/53/86/97/1342538697.db2.gz XTDVLVYQZBSWDQ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CC2)C1 ZINC001034481937 1342538698 /nfs/dbraw/zinc/53/86/98/1342538698.db2.gz XTDVLVYQZBSWDQ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CC2)C1 ZINC001034481937 1342538702 /nfs/dbraw/zinc/53/87/02/1342538702.db2.gz XTDVLVYQZBSWDQ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](CCC2CCCCC2)C1)C12CC[NH+](CC1)C2 ZINC001034486763 1342544793 /nfs/dbraw/zinc/54/47/93/1342544793.db2.gz LTDATIBMRPLRHA-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034538313 1342596130 /nfs/dbraw/zinc/59/61/30/1342596130.db2.gz LNTRRPCEONJFRE-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034538313 1342596134 /nfs/dbraw/zinc/59/61/34/1342596134.db2.gz LNTRRPCEONJFRE-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034538313 1342596139 /nfs/dbraw/zinc/59/61/39/1342596139.db2.gz LNTRRPCEONJFRE-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCCC[N@@H+](C/C=C/Cl)C1 ZINC001034543201 1342603288 /nfs/dbraw/zinc/60/32/88/1342603288.db2.gz ZLWJRFRKKHPDTF-VDZSZVPASA-N 2 1 349.906 3.085 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCCC3)CC2)C1 ZINC001034734338 1342728194 /nfs/dbraw/zinc/72/81/94/1342728194.db2.gz ONVRZHGBDSTYRQ-MISYRCLQSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001034974220 1342860463 /nfs/dbraw/zinc/86/04/63/1342860463.db2.gz YUXRETFUVZBFDX-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCCC2)C1 ZINC001035047401 1342897924 /nfs/dbraw/zinc/89/79/24/1342897924.db2.gz CEXBESLBINLKNT-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035184614 1342998947 /nfs/dbraw/zinc/99/89/47/1342998947.db2.gz FQFNUADDGXIFIQ-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035184614 1342998950 /nfs/dbraw/zinc/99/89/50/1342998950.db2.gz FQFNUADDGXIFIQ-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035184614 1342998952 /nfs/dbraw/zinc/99/89/52/1342998952.db2.gz FQFNUADDGXIFIQ-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)CC2 ZINC001035196828 1343009602 /nfs/dbraw/zinc/00/96/02/1343009602.db2.gz DPNAGRLRIHDUAS-RBUKOAKNSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)CC2 ZINC001035196828 1343009604 /nfs/dbraw/zinc/00/96/04/1343009604.db2.gz DPNAGRLRIHDUAS-RBUKOAKNSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)CC2 ZINC001035196828 1343009608 /nfs/dbraw/zinc/00/96/08/1343009608.db2.gz DPNAGRLRIHDUAS-RBUKOAKNSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CC(C)C)C2)CC1 ZINC001035200064 1343013503 /nfs/dbraw/zinc/01/35/03/1343013503.db2.gz WYIIUMUPMFSITQ-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035200064 1343013508 /nfs/dbraw/zinc/01/35/08/1343013508.db2.gz WYIIUMUPMFSITQ-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035200064 1343013510 /nfs/dbraw/zinc/01/35/10/1343013510.db2.gz WYIIUMUPMFSITQ-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001035257533 1343084025 /nfs/dbraw/zinc/08/40/25/1343084025.db2.gz WWLZEGUHDOKMRP-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001036098971 1343312334 /nfs/dbraw/zinc/31/23/34/1343312334.db2.gz XCAZGPNIPKIGSE-APWZRJJASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]([NH2+]CC2CCC2)[C@@H](C)C1 ZINC001036202800 1343361756 /nfs/dbraw/zinc/36/17/56/1343361756.db2.gz KPJZKCDJMUHYNG-WMZOPIPTSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001036556533 1343552419 /nfs/dbraw/zinc/55/24/19/1343552419.db2.gz MQBAVNDUCJJGSI-XLIONFOSSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@@H]1C[NH2+]CC1CCCC1 ZINC001036577332 1343562394 /nfs/dbraw/zinc/56/23/94/1343562394.db2.gz GHTOHZQFJUNJTL-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCC(CC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCC(C)(C)C)C2)CC1 ZINC001036836874 1343776454 /nfs/dbraw/zinc/77/64/54/1343776454.db2.gz YVJAMSARZQXRCJ-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1CC ZINC001037871528 1344153581 /nfs/dbraw/zinc/15/35/81/1344153581.db2.gz CDZULGIDBNUDAF-FUHWJXTLSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001038241420 1344338942 /nfs/dbraw/zinc/33/89/42/1344338942.db2.gz TXLSYGLKBXMEPC-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001038241420 1344338944 /nfs/dbraw/zinc/33/89/44/1344338944.db2.gz TXLSYGLKBXMEPC-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001038241420 1344338946 /nfs/dbraw/zinc/33/89/46/1344338946.db2.gz TXLSYGLKBXMEPC-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCC2CCCCCC2)CC[N@H+]1C ZINC001038269834 1344350360 /nfs/dbraw/zinc/35/03/60/1344350360.db2.gz RSSOWVDRRGTVSN-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCC2CCCCCC2)CC[NH+]1C ZINC001038269834 1344350361 /nfs/dbraw/zinc/35/03/61/1344350361.db2.gz RSSOWVDRRGTVSN-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCC2CCCCCC2)CC[NH+]1C ZINC001038269834 1344350365 /nfs/dbraw/zinc/35/03/65/1344350365.db2.gz RSSOWVDRRGTVSN-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+]2CCC2CCCCCC2)CC[N@H+]1C ZINC001038631765 1344512890 /nfs/dbraw/zinc/51/28/90/1344512890.db2.gz VRBGFLXNRWMKMG-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCC2CCCCCC2)CC[NH+]1C ZINC001038631765 1344512892 /nfs/dbraw/zinc/51/28/92/1344512892.db2.gz VRBGFLXNRWMKMG-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCC2CCCCCC2)CC[NH+]1C ZINC001038631765 1344512894 /nfs/dbraw/zinc/51/28/94/1344512894.db2.gz VRBGFLXNRWMKMG-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001038777857 1344581674 /nfs/dbraw/zinc/58/16/74/1344581674.db2.gz CTDQFCXZEFIOAH-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001038777857 1344581677 /nfs/dbraw/zinc/58/16/77/1344581677.db2.gz CTDQFCXZEFIOAH-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCCC1CCCC1 ZINC001038777857 1344581681 /nfs/dbraw/zinc/58/16/81/1344581681.db2.gz CTDQFCXZEFIOAH-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001038908383 1344646208 /nfs/dbraw/zinc/64/62/08/1344646208.db2.gz JGGYUWWHASZJAD-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001038908383 1344646211 /nfs/dbraw/zinc/64/62/11/1344646211.db2.gz JGGYUWWHASZJAD-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001038908383 1344646214 /nfs/dbraw/zinc/64/62/14/1344646214.db2.gz JGGYUWWHASZJAD-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001039047644 1344732875 /nfs/dbraw/zinc/73/28/75/1344732875.db2.gz FSAVUKMFWOFMOK-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001039047644 1344732878 /nfs/dbraw/zinc/73/28/78/1344732878.db2.gz FSAVUKMFWOFMOK-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001039047644 1344732882 /nfs/dbraw/zinc/73/28/82/1344732882.db2.gz FSAVUKMFWOFMOK-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001039141135 1344821233 /nfs/dbraw/zinc/82/12/33/1344821233.db2.gz QWUDRSYHRZQMQF-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001039141135 1344821234 /nfs/dbraw/zinc/82/12/34/1344821234.db2.gz QWUDRSYHRZQMQF-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001039141135 1344821237 /nfs/dbraw/zinc/82/12/37/1344821237.db2.gz QWUDRSYHRZQMQF-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@H]1CC[N@@H+](C(C)C)C1 ZINC001039235039 1344955722 /nfs/dbraw/zinc/95/57/22/1344955722.db2.gz MYLCADOGPYXLEZ-ROUUACIJSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](C(C)C)C1 ZINC001039235039 1344955726 /nfs/dbraw/zinc/95/57/26/1344955726.db2.gz MYLCADOGPYXLEZ-ROUUACIJSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001039448184 1345072901 /nfs/dbraw/zinc/07/29/01/1345072901.db2.gz ZSBVEFVASVYZCF-AABGKKOBSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001039448184 1345072905 /nfs/dbraw/zinc/07/29/05/1345072905.db2.gz ZSBVEFVASVYZCF-AABGKKOBSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001039448184 1345072907 /nfs/dbraw/zinc/07/29/07/1345072907.db2.gz ZSBVEFVASVYZCF-AABGKKOBSA-N 2 1 347.547 3.281 20 0 EGADMP CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001039476228 1345090898 /nfs/dbraw/zinc/09/08/98/1345090898.db2.gz HUXDHDWCOTZWMV-SJORKVTESA-N 2 1 347.503 3.210 20 0 EGADMP CC[N@@H+](CC1CC1)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001039490270 1345110592 /nfs/dbraw/zinc/11/05/92/1345110592.db2.gz XTMTUBXHRDBZRF-UHFFFAOYSA-N 2 1 343.515 3.085 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC(C)C ZINC001039969561 1345271501 /nfs/dbraw/zinc/27/15/01/1345271501.db2.gz MFUHKLKQKKINNO-ZCNNSNEGSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(C)C ZINC001039969561 1345271505 /nfs/dbraw/zinc/27/15/05/1345271505.db2.gz MFUHKLKQKKINNO-ZCNNSNEGSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)C ZINC001039969561 1345271507 /nfs/dbraw/zinc/27/15/07/1345271507.db2.gz MFUHKLKQKKINNO-ZCNNSNEGSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199965 1345372496 /nfs/dbraw/zinc/37/24/96/1345372496.db2.gz DHLHVZAQAVWHPP-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040199965 1345372499 /nfs/dbraw/zinc/37/24/99/1345372499.db2.gz DHLHVZAQAVWHPP-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040199965 1345372504 /nfs/dbraw/zinc/37/25/04/1345372504.db2.gz DHLHVZAQAVWHPP-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040202041 1345373190 /nfs/dbraw/zinc/37/31/90/1345373190.db2.gz PGGLUEMRAYEZSL-FPOVZHCZSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202041 1345373192 /nfs/dbraw/zinc/37/31/92/1345373192.db2.gz PGGLUEMRAYEZSL-FPOVZHCZSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202041 1345373195 /nfs/dbraw/zinc/37/31/95/1345373195.db2.gz PGGLUEMRAYEZSL-FPOVZHCZSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040245843 1345394430 /nfs/dbraw/zinc/39/44/30/1345394430.db2.gz YODIDFASAWOHEJ-TZIWHRDSSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040245843 1345394432 /nfs/dbraw/zinc/39/44/32/1345394432.db2.gz YODIDFASAWOHEJ-TZIWHRDSSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040245843 1345394437 /nfs/dbraw/zinc/39/44/37/1345394437.db2.gz YODIDFASAWOHEJ-TZIWHRDSSA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC(C)C)C2 ZINC001040544862 1345539567 /nfs/dbraw/zinc/53/95/67/1345539567.db2.gz LHXMKKDGYOLOGK-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC(C)C)C2 ZINC001040544862 1345539570 /nfs/dbraw/zinc/53/95/70/1345539570.db2.gz LHXMKKDGYOLOGK-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC(C)C)C2 ZINC001040544862 1345539573 /nfs/dbraw/zinc/53/95/73/1345539573.db2.gz LHXMKKDGYOLOGK-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041336364 1345705668 /nfs/dbraw/zinc/70/56/68/1345705668.db2.gz OKVHYCFOHHTCPL-IBGZPJMESA-N 2 1 349.544 3.004 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041537584 1345755145 /nfs/dbraw/zinc/75/51/45/1345755145.db2.gz ZGDUSIVXIUSZLN-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041536026 1345755478 /nfs/dbraw/zinc/75/54/78/1345755478.db2.gz LUQDCPLJINHPEX-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+](C(C)C)C3)C2)o1 ZINC001041852462 1345874090 /nfs/dbraw/zinc/87/40/90/1345874090.db2.gz UHDSRNYGSAWXOW-FQEVSTJZSA-N 2 1 347.503 3.068 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042187098 1345974441 /nfs/dbraw/zinc/97/44/41/1345974441.db2.gz LOSJDEAXEYIFSU-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](CCC(=O)NCC[NH2+]CCCC(C)(C)C)C1CCCCC1 ZINC001131815644 1373819240 /nfs/dbraw/zinc/81/92/40/1373819240.db2.gz NCVSARNICPGYKU-UHFFFAOYSA-N 2 1 325.541 3.173 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042254248 1346007283 /nfs/dbraw/zinc/00/72/83/1346007283.db2.gz JOOODYQSCWDYJO-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001042748831 1346111633 /nfs/dbraw/zinc/11/16/33/1346111633.db2.gz ULURPSJAINIZFG-XUVXKRRUSA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001042748831 1346111634 /nfs/dbraw/zinc/11/16/34/1346111634.db2.gz ULURPSJAINIZFG-XUVXKRRUSA-N 2 1 343.515 3.011 20 0 EGADMP CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1C[NH+](CCCC2CCCC2)C1 ZINC001043073293 1346137104 /nfs/dbraw/zinc/13/71/04/1346137104.db2.gz KWNCJSSYYLUIIT-AZUAARDMSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1C[NH+](CCCC2CCCC2)C1 ZINC001043073293 1346137105 /nfs/dbraw/zinc/13/71/05/1346137105.db2.gz KWNCJSSYYLUIIT-AZUAARDMSA-N 2 1 347.547 3.116 20 0 EGADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001044335351 1346301201 /nfs/dbraw/zinc/30/12/01/1346301201.db2.gz HFFYIIBIGFVQOF-PXNSSMCTSA-N 2 1 343.515 3.073 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001044335351 1346301203 /nfs/dbraw/zinc/30/12/03/1346301203.db2.gz HFFYIIBIGFVQOF-PXNSSMCTSA-N 2 1 343.515 3.073 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045092954 1346493476 /nfs/dbraw/zinc/49/34/76/1346493476.db2.gz IFFWBJCPFVVDSK-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001045200376 1346528937 /nfs/dbraw/zinc/52/89/37/1346528937.db2.gz WHQYDZQVAZUJOB-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001045270846 1346544778 /nfs/dbraw/zinc/54/47/78/1346544778.db2.gz CVBAOOPJIFEVLI-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001045442302 1346594585 /nfs/dbraw/zinc/59/45/85/1346594585.db2.gz REZMTDVGEUVLPN-QGZVFWFLSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2(C)CC[NH+](CCC(C)C)CC2)C1 ZINC001045531425 1346619333 /nfs/dbraw/zinc/61/93/33/1346619333.db2.gz IHHIJAXHNMZYCD-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001045803484 1346702764 /nfs/dbraw/zinc/70/27/64/1346702764.db2.gz WFBRGEAMFPJQFP-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001045803484 1346702767 /nfs/dbraw/zinc/70/27/67/1346702767.db2.gz WFBRGEAMFPJQFP-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001045803484 1346702769 /nfs/dbraw/zinc/70/27/69/1346702769.db2.gz WFBRGEAMFPJQFP-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001045847478 1346720124 /nfs/dbraw/zinc/72/01/24/1346720124.db2.gz HRTDDGCJFLIXFV-RLLQIKCJSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001045847478 1346720128 /nfs/dbraw/zinc/72/01/28/1346720128.db2.gz HRTDDGCJFLIXFV-RLLQIKCJSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001045847478 1346720130 /nfs/dbraw/zinc/72/01/30/1346720130.db2.gz HRTDDGCJFLIXFV-RLLQIKCJSA-N 2 1 345.531 3.036 20 0 EGADMP CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001045942097 1346777627 /nfs/dbraw/zinc/77/76/27/1346777627.db2.gz REDKZQGFYVJACD-LJQANCHMSA-N 2 1 349.544 3.148 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001045961095 1346796531 /nfs/dbraw/zinc/79/65/31/1346796531.db2.gz GHTIGJKZXTXMST-FPOVZHCZSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001045961095 1346796533 /nfs/dbraw/zinc/79/65/33/1346796533.db2.gz GHTIGJKZXTXMST-FPOVZHCZSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001045961095 1346796535 /nfs/dbraw/zinc/79/65/35/1346796535.db2.gz GHTIGJKZXTXMST-FPOVZHCZSA-N 2 1 349.563 3.223 20 0 EGADMP C[C@]1(NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+](CC2=CCCCC2)C1 ZINC001046486140 1346991790 /nfs/dbraw/zinc/99/17/90/1346991790.db2.gz HNRMVSPBUBSUPH-FQEVSTJZSA-N 2 1 338.455 3.029 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCCC3CCC3)C2)C1 ZINC001046562320 1347018170 /nfs/dbraw/zinc/01/81/70/1347018170.db2.gz MJFPXDJRSLLIKL-CTNGQTDRSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCCC3CCC3)C2)C1 ZINC001046562320 1347018172 /nfs/dbraw/zinc/01/81/72/1347018172.db2.gz MJFPXDJRSLLIKL-CTNGQTDRSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001046562320 1347018176 /nfs/dbraw/zinc/01/81/76/1347018176.db2.gz MJFPXDJRSLLIKL-CTNGQTDRSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCC1)C2)[NH+]1CCCCC1 ZINC001047074257 1347201714 /nfs/dbraw/zinc/20/17/14/1347201714.db2.gz YBRFZZJPTDJGHZ-OTWHNJEPSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001047247317 1347272284 /nfs/dbraw/zinc/27/22/84/1347272284.db2.gz FLAHSEYMSYJVDJ-YSIASYRMSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1C ZINC001079687815 1357348492 /nfs/dbraw/zinc/34/84/92/1357348492.db2.gz WQJBDCJLSMXRAT-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1C ZINC001079687815 1357348494 /nfs/dbraw/zinc/34/84/94/1357348494.db2.gz WQJBDCJLSMXRAT-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1C ZINC001079687815 1357348498 /nfs/dbraw/zinc/34/84/98/1357348498.db2.gz WQJBDCJLSMXRAT-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001047870112 1347394854 /nfs/dbraw/zinc/39/48/54/1347394854.db2.gz UEDMXPPYIDIVHB-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC2CCC2)C1 ZINC001047988529 1347435257 /nfs/dbraw/zinc/43/52/57/1347435257.db2.gz JMAJLWJLCCUARU-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCC3CCCC3)C[C@H]2C)CC[N@H+]1C ZINC001079730656 1357360686 /nfs/dbraw/zinc/36/06/86/1357360686.db2.gz HMAUWFWFFUAESV-GSEOLPGOSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCCC3CCCC3)C[C@H]2C)CC[NH+]1C ZINC001079730656 1357360690 /nfs/dbraw/zinc/36/06/90/1357360690.db2.gz HMAUWFWFFUAESV-GSEOLPGOSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@H]2C)CC[NH+]1C ZINC001079730656 1357360695 /nfs/dbraw/zinc/36/06/95/1357360695.db2.gz HMAUWFWFFUAESV-GSEOLPGOSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+]1CCC3)C2 ZINC001048543414 1347585841 /nfs/dbraw/zinc/58/58/41/1347585841.db2.gz YBVMAOBPPPTTLA-AKHDSKFASA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001048558060 1347591966 /nfs/dbraw/zinc/59/19/66/1347591966.db2.gz WFABYTOMXNALOL-YSTOQKLRSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001048558060 1347591968 /nfs/dbraw/zinc/59/19/68/1347591968.db2.gz WFABYTOMXNALOL-YSTOQKLRSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001048558060 1347591971 /nfs/dbraw/zinc/59/19/71/1347591971.db2.gz WFABYTOMXNALOL-YSTOQKLRSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCCCC1 ZINC001049370616 1347808536 /nfs/dbraw/zinc/80/85/36/1347808536.db2.gz XFLJJWIJJCZMLP-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCCCC1 ZINC001049370616 1347808538 /nfs/dbraw/zinc/80/85/38/1347808538.db2.gz XFLJJWIJJCZMLP-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCCCC1 ZINC001049370616 1347808541 /nfs/dbraw/zinc/80/85/41/1347808541.db2.gz XFLJJWIJJCZMLP-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049520216 1347889540 /nfs/dbraw/zinc/88/95/40/1347889540.db2.gz CCMDXZDYHQSVTG-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001049520216 1347889542 /nfs/dbraw/zinc/88/95/42/1347889542.db2.gz CCMDXZDYHQSVTG-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001049520216 1347889546 /nfs/dbraw/zinc/88/95/46/1347889546.db2.gz CCMDXZDYHQSVTG-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049524968 1347891929 /nfs/dbraw/zinc/89/19/29/1347891929.db2.gz OTKPUXNDGDRYQG-ZCNNSNEGSA-N 2 1 347.547 3.259 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001049524968 1347891930 /nfs/dbraw/zinc/89/19/30/1347891930.db2.gz OTKPUXNDGDRYQG-ZCNNSNEGSA-N 2 1 347.547 3.259 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001049524968 1347891933 /nfs/dbraw/zinc/89/19/33/1347891933.db2.gz OTKPUXNDGDRYQG-ZCNNSNEGSA-N 2 1 347.547 3.259 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CCCC1)[NH+](C)C ZINC001049532720 1347895077 /nfs/dbraw/zinc/89/50/77/1347895077.db2.gz JNMVWVYNHIRHDV-ZCNNSNEGSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049573289 1347916548 /nfs/dbraw/zinc/91/65/48/1347916548.db2.gz RRYHABZOZGWEHG-OALUTQOASA-N 2 1 340.471 3.059 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820650 1348037571 /nfs/dbraw/zinc/03/75/71/1348037571.db2.gz LPTJMHHISLIPEY-YSIASYRMSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050065657 1348171335 /nfs/dbraw/zinc/17/13/35/1348171335.db2.gz FIGAUGHZWJEQSS-SLFFLAALSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050065657 1348171337 /nfs/dbraw/zinc/17/13/37/1348171337.db2.gz FIGAUGHZWJEQSS-SLFFLAALSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001050065657 1348171339 /nfs/dbraw/zinc/17/13/39/1348171339.db2.gz FIGAUGHZWJEQSS-SLFFLAALSA-N 2 1 349.563 3.218 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCc2ccc([C@H](C)[NH2+]CC)cc2)C1 ZINC001050269945 1348223777 /nfs/dbraw/zinc/22/37/77/1348223777.db2.gz KLIQLBYYLLAWNC-LPHOPBHVSA-N 2 1 331.504 3.095 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001050636055 1348309818 /nfs/dbraw/zinc/30/98/18/1348309818.db2.gz ZESFGEHFNSEJPH-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052376040 1348534840 /nfs/dbraw/zinc/53/48/40/1348534840.db2.gz CHAYKUUARGMJIG-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1)[NH+]1CCCCC1 ZINC001052377696 1348535616 /nfs/dbraw/zinc/53/56/16/1348535616.db2.gz QBPZLRXCLRUPNB-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CCC3CCCCC3)CC2)CC[N@H+]1C ZINC001052390444 1348539011 /nfs/dbraw/zinc/53/90/11/1348539011.db2.gz GEXBTBJSKWBSLD-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](CCC3CCCCC3)CC2)CC[NH+]1C ZINC001052390444 1348539014 /nfs/dbraw/zinc/53/90/14/1348539014.db2.gz GEXBTBJSKWBSLD-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](CCC3CCCCC3)CC2)CC[NH+]1C ZINC001052390444 1348539016 /nfs/dbraw/zinc/53/90/16/1348539016.db2.gz GEXBTBJSKWBSLD-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052448411 1348544558 /nfs/dbraw/zinc/54/45/58/1348544558.db2.gz ZADLTIOPUYVZES-IAGOWNOFSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052448411 1348544560 /nfs/dbraw/zinc/54/45/60/1348544560.db2.gz ZADLTIOPUYVZES-IAGOWNOFSA-N 2 1 346.519 3.167 20 0 EGADMP CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448295 1348544646 /nfs/dbraw/zinc/54/46/46/1348544646.db2.gz XBAURIBZSQSNOW-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052448295 1348544647 /nfs/dbraw/zinc/54/46/47/1348544647.db2.gz XBAURIBZSQSNOW-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052448295 1348544648 /nfs/dbraw/zinc/54/46/48/1348544648.db2.gz XBAURIBZSQSNOW-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001052499566 1348560314 /nfs/dbraw/zinc/56/03/14/1348560314.db2.gz YHECPJJACGBOCL-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC001052499566 1348560315 /nfs/dbraw/zinc/56/03/15/1348560315.db2.gz YHECPJJACGBOCL-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC001052499566 1348560318 /nfs/dbraw/zinc/56/03/18/1348560318.db2.gz YHECPJJACGBOCL-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CC2)CC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001052651874 1348614428 /nfs/dbraw/zinc/61/44/28/1348614428.db2.gz NYLFSEPXMNBXIJ-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CC2CC2)CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001052651874 1348614430 /nfs/dbraw/zinc/61/44/30/1348614430.db2.gz NYLFSEPXMNBXIJ-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CC2CC2)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001052651874 1348614433 /nfs/dbraw/zinc/61/44/33/1348614433.db2.gz NYLFSEPXMNBXIJ-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CCC3CCCCC3)CC2)C1 ZINC001052712513 1348644662 /nfs/dbraw/zinc/64/46/62/1348644662.db2.gz JOZQYBHJUNAYDR-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCC3CCCCC3)CC2)C1 ZINC001052712513 1348644664 /nfs/dbraw/zinc/64/46/64/1348644664.db2.gz JOZQYBHJUNAYDR-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCC3CCCCC3)CC2)C1 ZINC001052712513 1348644666 /nfs/dbraw/zinc/64/46/66/1348644666.db2.gz JOZQYBHJUNAYDR-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052765467 1348669949 /nfs/dbraw/zinc/66/99/49/1348669949.db2.gz ZYIASDCGMHYMML-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052765467 1348669952 /nfs/dbraw/zinc/66/99/52/1348669952.db2.gz ZYIASDCGMHYMML-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052765467 1348669954 /nfs/dbraw/zinc/66/99/54/1348669954.db2.gz ZYIASDCGMHYMML-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCC3CC3)CC2)cc1 ZINC001052787019 1348679388 /nfs/dbraw/zinc/67/93/88/1348679388.db2.gz GHMZEGYZRJDETA-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857138 1348704340 /nfs/dbraw/zinc/70/43/40/1348704340.db2.gz IMKQOUDQEJJMEX-FXAWDEMLSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052934089 1348754348 /nfs/dbraw/zinc/75/43/48/1348754348.db2.gz HRGGHTBQLDPWRW-WOJBJXKFSA-N 2 1 343.515 3.204 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096717 1348926554 /nfs/dbraw/zinc/92/65/54/1348926554.db2.gz YPJATHPPOHWFSU-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107569 1348946350 /nfs/dbraw/zinc/94/63/50/1348946350.db2.gz JJPACXDVFLBGSB-OALUTQOASA-N 2 1 346.519 3.085 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107569 1348946352 /nfs/dbraw/zinc/94/63/52/1348946352.db2.gz JJPACXDVFLBGSB-OALUTQOASA-N 2 1 346.519 3.085 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@]3(CC[NH+](CC(C)C)C3)C2)C1 ZINC001054182929 1349185865 /nfs/dbraw/zinc/18/58/65/1349185865.db2.gz UOIVWNGJNNVRKX-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[C@@]3(CC[N@H+](CC(C)C)C3)C2)C1 ZINC001054182929 1349185869 /nfs/dbraw/zinc/18/58/69/1349185869.db2.gz UOIVWNGJNNVRKX-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[C@@]3(CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001054182929 1349185875 /nfs/dbraw/zinc/18/58/75/1349185875.db2.gz UOIVWNGJNNVRKX-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001054183711 1349186840 /nfs/dbraw/zinc/18/68/40/1349186840.db2.gz OQNGWMDMTXBTLE-TZIWHRDSSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001054183711 1349186844 /nfs/dbraw/zinc/18/68/44/1349186844.db2.gz OQNGWMDMTXBTLE-TZIWHRDSSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001054183711 1349186846 /nfs/dbraw/zinc/18/68/46/1349186846.db2.gz OQNGWMDMTXBTLE-TZIWHRDSSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054184500 1349187666 /nfs/dbraw/zinc/18/76/66/1349187666.db2.gz FRXJOOHRVKPPKG-ZJOUEHCJSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001054184500 1349187669 /nfs/dbraw/zinc/18/76/69/1349187669.db2.gz FRXJOOHRVKPPKG-ZJOUEHCJSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001054184500 1349187673 /nfs/dbraw/zinc/18/76/73/1349187673.db2.gz FRXJOOHRVKPPKG-ZJOUEHCJSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054198291 1349200402 /nfs/dbraw/zinc/20/04/02/1349200402.db2.gz UVPMLNYEQBCWNK-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001054198291 1349200404 /nfs/dbraw/zinc/20/04/04/1349200404.db2.gz UVPMLNYEQBCWNK-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001054198291 1349200407 /nfs/dbraw/zinc/20/04/07/1349200407.db2.gz UVPMLNYEQBCWNK-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[NH+](CC=C(C)C)C2)C1 ZINC001054244352 1349237457 /nfs/dbraw/zinc/23/74/57/1349237457.db2.gz DHHZVMJGCYPHGN-TZIWHRDSSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC=C(C)C)C2)C1 ZINC001054244352 1349237460 /nfs/dbraw/zinc/23/74/60/1349237460.db2.gz DHHZVMJGCYPHGN-TZIWHRDSSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC=C(C)C)C2)C1 ZINC001054244352 1349237461 /nfs/dbraw/zinc/23/74/61/1349237461.db2.gz DHHZVMJGCYPHGN-TZIWHRDSSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)cc2C1 ZINC001054289807 1349294596 /nfs/dbraw/zinc/29/45/96/1349294596.db2.gz RQKDKXWUZOZJNS-PXNSSMCTSA-N 2 1 343.515 3.147 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CCC1CCCC1 ZINC001071645212 1354824118 /nfs/dbraw/zinc/82/41/18/1354824118.db2.gz HSSLECAZZDOZIR-IEBWSBKVSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@H+]1Cc1ccccc1 ZINC001071653041 1354827892 /nfs/dbraw/zinc/82/78/92/1354827892.db2.gz RLCHQYQRGKTODJ-APWZRJJASA-N 2 1 348.450 3.117 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001071688968 1354852688 /nfs/dbraw/zinc/85/26/88/1354852688.db2.gz CGGQFXMVHWXXIF-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001071688968 1354852696 /nfs/dbraw/zinc/85/26/96/1354852696.db2.gz CGGQFXMVHWXXIF-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001071690148 1354853901 /nfs/dbraw/zinc/85/39/01/1354853901.db2.gz WLUVDMSSGTYNID-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001071690148 1354853905 /nfs/dbraw/zinc/85/39/05/1354853905.db2.gz WLUVDMSSGTYNID-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP CCCC[N@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001071702086 1354861149 /nfs/dbraw/zinc/86/11/49/1354861149.db2.gz SYMSOWYRDJGPEF-PKOBYXMFSA-N 2 1 345.531 3.174 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CCC(C)(C)C ZINC001071821062 1354961335 /nfs/dbraw/zinc/96/13/35/1354961335.db2.gz ITGYNXAUTVRFMK-SJORKVTESA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CCC(C)(C)C ZINC001071821062 1354961338 /nfs/dbraw/zinc/96/13/38/1354961338.db2.gz ITGYNXAUTVRFMK-SJORKVTESA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CCC(C)(C)C ZINC001071821062 1354961346 /nfs/dbraw/zinc/96/13/46/1354961346.db2.gz ITGYNXAUTVRFMK-SJORKVTESA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CC1CCCCC1 ZINC001071821645 1354963041 /nfs/dbraw/zinc/96/30/41/1354963041.db2.gz ROVJYVUFIWPGJA-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CC1CCCCC1 ZINC001071821645 1354963042 /nfs/dbraw/zinc/96/30/42/1354963042.db2.gz ROVJYVUFIWPGJA-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CC1CCCCC1 ZINC001071821645 1354963044 /nfs/dbraw/zinc/96/30/44/1354963044.db2.gz ROVJYVUFIWPGJA-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071897850 1355012696 /nfs/dbraw/zinc/01/26/96/1355012696.db2.gz QDQYRDOYQBNIKE-YLJYHZDGSA-N 2 1 345.531 3.377 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC3CCCC3)C2)CC1 ZINC001071954571 1355041367 /nfs/dbraw/zinc/04/13/67/1355041367.db2.gz QWGRFCWMSVFKCK-FXAWDEMLSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CCCC1CCCC1 ZINC001072081380 1355118969 /nfs/dbraw/zinc/11/89/69/1355118969.db2.gz KRKXHMQOSMOKMF-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCC3)[C@@H]2C)C1 ZINC001074684286 1356223509 /nfs/dbraw/zinc/22/35/09/1356223509.db2.gz KIGJPOBWOOEUAJ-SXLOBPIMSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C)c1 ZINC001074687073 1356224662 /nfs/dbraw/zinc/22/46/62/1356224662.db2.gz PTUFAVQEYPZRBQ-ZWOKBUDYSA-N 2 1 343.515 3.119 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461305 1356394846 /nfs/dbraw/zinc/39/48/46/1356394846.db2.gz CCOIVNAMNFTYQB-QUCCMNQESA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461305 1356394847 /nfs/dbraw/zinc/39/48/47/1356394847.db2.gz CCOIVNAMNFTYQB-QUCCMNQESA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461305 1356394851 /nfs/dbraw/zinc/39/48/51/1356394851.db2.gz CCOIVNAMNFTYQB-QUCCMNQESA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCCC(C)C ZINC001099297422 1363737179 /nfs/dbraw/zinc/73/71/79/1363737179.db2.gz GIUNBOJTJNMVKD-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCC(C)C ZINC001099297422 1363737182 /nfs/dbraw/zinc/73/71/82/1363737182.db2.gz GIUNBOJTJNMVKD-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCC(C)C ZINC001099297422 1363737185 /nfs/dbraw/zinc/73/71/85/1363737185.db2.gz GIUNBOJTJNMVKD-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1C ZINC001080998868 1357776927 /nfs/dbraw/zinc/77/69/27/1357776927.db2.gz QPPXPLKIKLGQGU-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1C ZINC001080998868 1357776932 /nfs/dbraw/zinc/77/69/32/1357776932.db2.gz QPPXPLKIKLGQGU-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1C ZINC001080998868 1357776934 /nfs/dbraw/zinc/77/69/34/1357776934.db2.gz QPPXPLKIKLGQGU-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084958120 1358354716 /nfs/dbraw/zinc/35/47/16/1358354716.db2.gz MFAGEQIOHGRFNZ-AQNXPRMDSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958120 1358354717 /nfs/dbraw/zinc/35/47/17/1358354717.db2.gz MFAGEQIOHGRFNZ-AQNXPRMDSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958120 1358354718 /nfs/dbraw/zinc/35/47/18/1358354718.db2.gz MFAGEQIOHGRFNZ-AQNXPRMDSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC001085196878 1358431472 /nfs/dbraw/zinc/43/14/72/1358431472.db2.gz RCXINSVUINSPKL-KURKYZTESA-N 2 1 349.544 3.138 20 0 EGADMP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC001183755346 1387343867 /nfs/dbraw/zinc/34/38/67/1387343867.db2.gz IABVQIQCQWZZHN-HSALFYBXSA-N 2 1 343.515 3.030 20 0 EGADMP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC001183755346 1387343874 /nfs/dbraw/zinc/34/38/74/1387343874.db2.gz IABVQIQCQWZZHN-HSALFYBXSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCC(C)(C)C)C1 ZINC001085778789 1358753909 /nfs/dbraw/zinc/75/39/09/1358753909.db2.gz HJDCFWFYMXHVQB-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCC(C)(C)C)C1 ZINC001085778789 1358753913 /nfs/dbraw/zinc/75/39/13/1358753913.db2.gz HJDCFWFYMXHVQB-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCC(C)(C)C)C1 ZINC001085778789 1358753915 /nfs/dbraw/zinc/75/39/15/1358753915.db2.gz HJDCFWFYMXHVQB-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086105390 1358998841 /nfs/dbraw/zinc/99/88/41/1358998841.db2.gz LSRJNHBMKDEUSA-AQNXPRMDSA-N 2 1 349.563 3.029 20 0 EGADMP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001086118451 1359001316 /nfs/dbraw/zinc/00/13/16/1359001316.db2.gz AGLVOUGKYLIKEH-ZGXWSNOMSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086364478 1359078682 /nfs/dbraw/zinc/07/86/82/1359078682.db2.gz GSGXMBDJKHNYJN-HNBVOPMISA-N 2 1 343.515 3.105 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086402134 1359087843 /nfs/dbraw/zinc/08/78/43/1359087843.db2.gz IZIFATPUVXVUOD-SOAMZJECSA-N 2 1 343.515 3.025 20 0 EGADMP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001086456147 1359102514 /nfs/dbraw/zinc/10/25/14/1359102514.db2.gz SLYZUPKBDREZMT-QWFCFKBJSA-N 2 1 347.547 3.068 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001086456149 1359102536 /nfs/dbraw/zinc/10/25/36/1359102536.db2.gz SMKGIDZKYFMUHZ-VAMGGRTRSA-N 2 1 347.547 3.093 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001086457844 1359103163 /nfs/dbraw/zinc/10/31/63/1359103163.db2.gz RVSSHZOHFRZWOO-LEAZDLGRSA-N 2 1 347.547 3.092 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086477853 1359113990 /nfs/dbraw/zinc/11/39/90/1359113990.db2.gz ASVRKZPHANJVDX-LEAZDLGRSA-N 2 1 349.563 3.029 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001086530970 1359134138 /nfs/dbraw/zinc/13/41/38/1359134138.db2.gz ZSSGFMLVTRQDEJ-VAMGGRTRSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001086926013 1359251151 /nfs/dbraw/zinc/25/11/51/1359251151.db2.gz NGBNICPOENNTIR-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001086926012 1359251290 /nfs/dbraw/zinc/25/12/90/1359251290.db2.gz NGBNICPOENNTIR-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942098 1359263486 /nfs/dbraw/zinc/26/34/86/1359263486.db2.gz IWXPVYMILKULLD-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC=C(C)C)[C@@H]2CC)C1 ZINC001087696767 1359596681 /nfs/dbraw/zinc/59/66/81/1359596681.db2.gz LSZWWQXATSQHRT-CEXWTWQISA-N 2 1 335.536 3.044 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CC=C(C)C)[C@@H]2CC)C1 ZINC001087696767 1359596685 /nfs/dbraw/zinc/59/66/85/1359596685.db2.gz LSZWWQXATSQHRT-CEXWTWQISA-N 2 1 335.536 3.044 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC=C(C)C)[C@@H]2CC)C1 ZINC001087696767 1359596687 /nfs/dbraw/zinc/59/66/87/1359596687.db2.gz LSZWWQXATSQHRT-CEXWTWQISA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC[N@H+]1CCC1CC1 ZINC001087749261 1359626330 /nfs/dbraw/zinc/62/63/30/1359626330.db2.gz BTEMCIKYFUZNJH-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CC1CCCCCC1 ZINC001087796488 1359650960 /nfs/dbraw/zinc/65/09/60/1359650960.db2.gz BXMMQZMLURHTBN-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CC1CCCCCC1 ZINC001087796488 1359650962 /nfs/dbraw/zinc/65/09/62/1359650962.db2.gz BXMMQZMLURHTBN-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC1CCCCCC1 ZINC001087796488 1359650964 /nfs/dbraw/zinc/65/09/64/1359650964.db2.gz BXMMQZMLURHTBN-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1CC ZINC001087799238 1359651263 /nfs/dbraw/zinc/65/12/63/1359651263.db2.gz JSDYJQOIDGSAAP-ZWKOTPCHSA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1CC ZINC001087799238 1359651265 /nfs/dbraw/zinc/65/12/65/1359651265.db2.gz JSDYJQOIDGSAAP-ZWKOTPCHSA-N 2 1 346.519 3.167 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1CCC(C)C ZINC001087838710 1359672846 /nfs/dbraw/zinc/67/28/46/1359672846.db2.gz REHJCECZSNFBBU-VQTJNVASSA-N 2 1 345.531 3.377 20 0 EGADMP CC[C@H](F)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1CC ZINC001087840551 1359673468 /nfs/dbraw/zinc/67/34/68/1359673468.db2.gz CHJKHFJIZXUJGT-YTQUADARSA-N 2 1 349.494 3.079 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@H+]1CCCC1CCC1 ZINC001087840880 1359675617 /nfs/dbraw/zinc/67/56/17/1359675617.db2.gz RYNUYPVOFLVTOR-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC[NH+]1CCCC1CCC1 ZINC001087840880 1359675622 /nfs/dbraw/zinc/67/56/22/1359675622.db2.gz RYNUYPVOFLVTOR-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC[NH+]1CCCC1CCC1 ZINC001087840880 1359675628 /nfs/dbraw/zinc/67/56/28/1359675628.db2.gz RYNUYPVOFLVTOR-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966583 1359721137 /nfs/dbraw/zinc/72/11/37/1359721137.db2.gz KNKGZADINDEUAV-QRVBRYPASA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001088280295 1359825330 /nfs/dbraw/zinc/82/53/30/1359825330.db2.gz NNPDHTGYQNLETM-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001088327333 1359831383 /nfs/dbraw/zinc/83/13/83/1359831383.db2.gz LCXFVYZSNFJWAD-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CC1CCCCCC1 ZINC001088666479 1360007563 /nfs/dbraw/zinc/00/75/63/1360007563.db2.gz INXAAVQDHBOBFT-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CC1CCCCCC1 ZINC001088666479 1360007570 /nfs/dbraw/zinc/00/75/70/1360007570.db2.gz INXAAVQDHBOBFT-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CC1CCCCCC1 ZINC001088666479 1360007577 /nfs/dbraw/zinc/00/75/77/1360007577.db2.gz INXAAVQDHBOBFT-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CC1CCCCCC1 ZINC001088666479 1360007582 /nfs/dbraw/zinc/00/75/82/1360007582.db2.gz INXAAVQDHBOBFT-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001088708377 1360017583 /nfs/dbraw/zinc/01/75/83/1360017583.db2.gz RDPGTIFMRMQVNL-UZLBHIALSA-N 2 1 348.450 3.036 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088898559 1360097912 /nfs/dbraw/zinc/09/79/12/1360097912.db2.gz KPGXGZCIRZRNOU-NZSAHSFTSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088898559 1360097913 /nfs/dbraw/zinc/09/79/13/1360097913.db2.gz KPGXGZCIRZRNOU-NZSAHSFTSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088898559 1360097914 /nfs/dbraw/zinc/09/79/14/1360097914.db2.gz KPGXGZCIRZRNOU-NZSAHSFTSA-N 2 1 349.563 3.265 20 0 EGADMP CCC[N@@H+](CC1CC1)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001323736537 1387437713 /nfs/dbraw/zinc/43/77/13/1387437713.db2.gz RECJRTBMQBOGHM-UHFFFAOYSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1csc(C(C)C)n1 ZINC001323738499 1387438836 /nfs/dbraw/zinc/43/88/36/1387438836.db2.gz AFHMMGOZIDWXCH-KRWDZBQOSA-N 2 1 338.565 3.114 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089446638 1360435846 /nfs/dbraw/zinc/43/58/46/1360435846.db2.gz YNBNLHHDFTZHLM-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089505893 1360478464 /nfs/dbraw/zinc/47/84/64/1360478464.db2.gz IQHPMGAJHBMQIR-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089505893 1360478465 /nfs/dbraw/zinc/47/84/65/1360478465.db2.gz IQHPMGAJHBMQIR-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@@H+](CC3CCC3)CC(C)(C)C2)CC1 ZINC001089509849 1360481432 /nfs/dbraw/zinc/48/14/32/1360481432.db2.gz KAFBXKOPPGBRRD-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC(C)(C)C1 ZINC001089517838 1360487126 /nfs/dbraw/zinc/48/71/26/1360487126.db2.gz VWZILIMYSNPZHN-IBGZPJMESA-N 2 1 345.531 3.377 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCC3CC3)CC(C)(C)C2)CC1 ZINC001089526339 1360490111 /nfs/dbraw/zinc/49/01/11/1360490111.db2.gz ATOTVDPMACUULX-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC(C)(C)C1 ZINC001089561972 1360508752 /nfs/dbraw/zinc/50/87/52/1360508752.db2.gz VGAHJEYMMZSUEV-IBGZPJMESA-N 2 1 345.531 3.377 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089646032 1360558653 /nfs/dbraw/zinc/55/86/53/1360558653.db2.gz HGICZMXBCRMIGG-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001089646032 1360558657 /nfs/dbraw/zinc/55/86/57/1360558657.db2.gz HGICZMXBCRMIGG-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001089646032 1360558658 /nfs/dbraw/zinc/55/86/58/1360558658.db2.gz HGICZMXBCRMIGG-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089646033 1360559244 /nfs/dbraw/zinc/55/92/44/1360559244.db2.gz HGICZMXBCRMIGG-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001089646033 1360559248 /nfs/dbraw/zinc/55/92/48/1360559248.db2.gz HGICZMXBCRMIGG-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001089646033 1360559250 /nfs/dbraw/zinc/55/92/50/1360559250.db2.gz HGICZMXBCRMIGG-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001089649461 1360562813 /nfs/dbraw/zinc/56/28/13/1360562813.db2.gz JIFSYKWJUPZLHD-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001089649461 1360562815 /nfs/dbraw/zinc/56/28/15/1360562815.db2.gz JIFSYKWJUPZLHD-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001089649461 1360562817 /nfs/dbraw/zinc/56/28/17/1360562817.db2.gz JIFSYKWJUPZLHD-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC2CCCC2)CC1 ZINC001089690122 1360595806 /nfs/dbraw/zinc/59/58/06/1360595806.db2.gz LDYYRIMRQDBDSO-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC3CCC(C)(C)CC3)C2)CC[N@H+]1C ZINC001091037767 1360983799 /nfs/dbraw/zinc/98/37/99/1360983799.db2.gz YTGKCUXWQKQLNN-JYPHPWERSA-N 2 1 349.563 3.027 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001091059157 1360987489 /nfs/dbraw/zinc/98/74/89/1360987489.db2.gz FQISUIWKNHPFTE-MHJFOBGBSA-N 2 1 347.547 3.236 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001324083676 1387534183 /nfs/dbraw/zinc/53/41/83/1387534183.db2.gz XIQBEQPWLGHHBN-PKOBYXMFSA-N 2 1 345.531 3.134 20 0 EGADMP CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094497229 1361830574 /nfs/dbraw/zinc/83/05/74/1361830574.db2.gz PLPVDQUEPSWLAP-QKNQBKEWSA-N 2 1 347.547 3.164 20 0 EGADMP CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094497229 1361830579 /nfs/dbraw/zinc/83/05/79/1361830579.db2.gz PLPVDQUEPSWLAP-QKNQBKEWSA-N 2 1 347.547 3.164 20 0 EGADMP CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094497229 1361830581 /nfs/dbraw/zinc/83/05/81/1361830581.db2.gz PLPVDQUEPSWLAP-QKNQBKEWSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001095011188 1361988414 /nfs/dbraw/zinc/98/84/14/1361988414.db2.gz XTVWFBQSXVALJO-KSZLIROESA-N 2 1 346.519 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001095405063 1362129950 /nfs/dbraw/zinc/12/99/50/1362129950.db2.gz MIJJNIFHXABHIP-FUMNGEBKSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001095405063 1362129951 /nfs/dbraw/zinc/12/99/51/1362129951.db2.gz MIJJNIFHXABHIP-FUMNGEBKSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001095405063 1362129953 /nfs/dbraw/zinc/12/99/53/1362129953.db2.gz MIJJNIFHXABHIP-FUMNGEBKSA-N 2 1 347.547 3.161 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCCC2)CC[N@H+]1C ZINC001095438928 1362140848 /nfs/dbraw/zinc/14/08/48/1362140848.db2.gz RNONTCIWPYPRRZ-XLSIIYIISA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCCC2)CC[NH+]1C ZINC001095438928 1362140849 /nfs/dbraw/zinc/14/08/49/1362140849.db2.gz RNONTCIWPYPRRZ-XLSIIYIISA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCCC2)CC[NH+]1C ZINC001095438928 1362140850 /nfs/dbraw/zinc/14/08/50/1362140850.db2.gz RNONTCIWPYPRRZ-XLSIIYIISA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001096012756 1362333781 /nfs/dbraw/zinc/33/37/81/1362333781.db2.gz YIYCUMUXQYPCJH-LMCOJAPRSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001096012756 1362333784 /nfs/dbraw/zinc/33/37/84/1362333784.db2.gz YIYCUMUXQYPCJH-LMCOJAPRSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001096012756 1362333788 /nfs/dbraw/zinc/33/37/88/1362333788.db2.gz YIYCUMUXQYPCJH-LMCOJAPRSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001097176932 1362874646 /nfs/dbraw/zinc/87/46/46/1362874646.db2.gz CCNWSQGLJBHBJO-ZJPYXAASSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001097176932 1362874649 /nfs/dbraw/zinc/87/46/49/1362874649.db2.gz CCNWSQGLJBHBJO-ZJPYXAASSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001097176932 1362874654 /nfs/dbraw/zinc/87/46/54/1362874654.db2.gz CCNWSQGLJBHBJO-ZJPYXAASSA-N 2 1 335.536 3.019 20 0 EGADMP CCCN(CCC[NH+](C)C)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC001324422526 1387620336 /nfs/dbraw/zinc/62/03/36/1387620336.db2.gz XSXFZQOCNCILHV-QGZVFWFLSA-N 2 1 339.911 3.133 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCCC1 ZINC001098401678 1363316968 /nfs/dbraw/zinc/31/69/68/1363316968.db2.gz JXROOWHNHYCRJR-AQNXPRMDSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCCC1 ZINC001098401678 1363316972 /nfs/dbraw/zinc/31/69/72/1363316972.db2.gz JXROOWHNHYCRJR-AQNXPRMDSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185170979 1387632488 /nfs/dbraw/zinc/63/24/88/1387632488.db2.gz SIOHPKDKRIMUAE-MSOLQXFVSA-N 2 1 337.552 3.005 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CCCC1)C2 ZINC001099026704 1363582495 /nfs/dbraw/zinc/58/24/95/1363582495.db2.gz FLDHGDNOILFGDV-LMNJBCLMSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1CCCC1)C2 ZINC001099026704 1363582498 /nfs/dbraw/zinc/58/24/98/1363582498.db2.gz FLDHGDNOILFGDV-LMNJBCLMSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1CCCC1)C2 ZINC001099026704 1363582501 /nfs/dbraw/zinc/58/25/01/1363582501.db2.gz FLDHGDNOILFGDV-LMNJBCLMSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001099069981 1363606612 /nfs/dbraw/zinc/60/66/12/1363606612.db2.gz QNSNKMKJCJSYBZ-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001099079736 1363611690 /nfs/dbraw/zinc/61/16/90/1363611690.db2.gz IHZBDBJCCBXEOB-SJORKVTESA-N 2 1 348.535 3.413 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001099079736 1363611692 /nfs/dbraw/zinc/61/16/92/1363611692.db2.gz IHZBDBJCCBXEOB-SJORKVTESA-N 2 1 348.535 3.413 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC[C@H](C)F ZINC001099131299 1363643352 /nfs/dbraw/zinc/64/33/52/1363643352.db2.gz ZQECGRMTMQCZGV-HOTGVXAUSA-N 2 1 343.531 3.072 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC[C@H](C)F ZINC001099131299 1363643353 /nfs/dbraw/zinc/64/33/53/1363643353.db2.gz ZQECGRMTMQCZGV-HOTGVXAUSA-N 2 1 343.531 3.072 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC[C@H](C)F ZINC001099131299 1363643356 /nfs/dbraw/zinc/64/33/56/1363643356.db2.gz ZQECGRMTMQCZGV-HOTGVXAUSA-N 2 1 343.531 3.072 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001099153566 1363659469 /nfs/dbraw/zinc/65/94/69/1363659469.db2.gz MVXGLVYXHIGJMZ-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001099198429 1363687572 /nfs/dbraw/zinc/68/75/72/1363687572.db2.gz AQPANSUHLFZNMX-JTHGQSKGSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001099204292 1363691586 /nfs/dbraw/zinc/69/15/86/1363691586.db2.gz YBTNITFYQXRLTQ-OVKVCFKUSA-N 2 1 349.563 3.291 20 0 EGADMP C[NH+]1CCC(CC(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC2CCC2)CC1 ZINC001099258507 1363719385 /nfs/dbraw/zinc/71/93/85/1363719385.db2.gz RPCVINOHXYNNIM-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1C/C=C\Cl ZINC001099320247 1363747937 /nfs/dbraw/zinc/74/79/37/1363747937.db2.gz HRUVEGOBXMYULC-DIEDAUMRSA-N 2 1 343.943 3.078 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1C/C=C\Cl ZINC001099320247 1363747939 /nfs/dbraw/zinc/74/79/39/1363747939.db2.gz HRUVEGOBXMYULC-DIEDAUMRSA-N 2 1 343.943 3.078 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1C/C=C\Cl ZINC001099320247 1363747941 /nfs/dbraw/zinc/74/79/41/1363747941.db2.gz HRUVEGOBXMYULC-DIEDAUMRSA-N 2 1 343.943 3.078 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099354290 1363768352 /nfs/dbraw/zinc/76/83/52/1363768352.db2.gz QHUQJTDEEUJIRH-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001100319326 1364079260 /nfs/dbraw/zinc/07/92/60/1364079260.db2.gz HRKCZMNRRDNQEE-OLFFVLKBSA-N 2 1 335.536 3.090 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100346033 1364086542 /nfs/dbraw/zinc/08/65/42/1364086542.db2.gz MXUJRNOPYUYNDO-KLAILNCOSA-N 2 1 348.535 3.317 20 0 EGADMP CC[C@H]([NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1 ZINC001100407773 1364104801 /nfs/dbraw/zinc/10/48/01/1364104801.db2.gz JAESRCBSYSQBRR-NLPFYKDJSA-N 2 1 343.515 3.106 20 0 EGADMP C[N@@H+](CC(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1)C1CCC1 ZINC001100411689 1364105463 /nfs/dbraw/zinc/10/54/63/1364105463.db2.gz NHKGREQAJZKTRO-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001100419616 1364108547 /nfs/dbraw/zinc/10/85/47/1364108547.db2.gz ZRHANSGTJPFQKA-SOAGJPPSSA-N 2 1 349.563 3.316 20 0 EGADMP CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001100729726 1364238372 /nfs/dbraw/zinc/23/83/72/1364238372.db2.gz LIEABWRZTWTKMM-MZCYRKOTSA-N 2 1 335.536 3.090 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100729718 1364238413 /nfs/dbraw/zinc/23/84/13/1364238413.db2.gz LECDMGOEGTXYES-ABHNRTSZSA-N 2 1 337.552 3.170 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]Cc2cc(C)ccc2C)C1 ZINC001100896814 1364319828 /nfs/dbraw/zinc/31/98/28/1364319828.db2.gz MBUFHLIPJUIWMG-UHFFFAOYSA-N 2 1 345.531 3.020 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001102104162 1364859221 /nfs/dbraw/zinc/85/92/21/1364859221.db2.gz IOZVRIJDOISCLE-KZNAEPCWSA-N 2 1 339.568 3.083 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001102104162 1364859227 /nfs/dbraw/zinc/85/92/27/1364859227.db2.gz IOZVRIJDOISCLE-KZNAEPCWSA-N 2 1 339.568 3.083 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001102104162 1364859232 /nfs/dbraw/zinc/85/92/32/1364859232.db2.gz IOZVRIJDOISCLE-KZNAEPCWSA-N 2 1 339.568 3.083 20 0 EGADMP CC(C)[C@]1(CO)CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC001324633785 1387710578 /nfs/dbraw/zinc/71/05/78/1387710578.db2.gz KVLHOKFDLOEKAU-OAQYLSRUSA-N 2 1 332.532 3.485 20 0 EGADMP CC(C)[C@]1(CO)CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC001324633785 1387710581 /nfs/dbraw/zinc/71/05/81/1387710581.db2.gz KVLHOKFDLOEKAU-OAQYLSRUSA-N 2 1 332.532 3.485 20 0 EGADMP CC(C)[C@]1(CO)CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC001324633785 1387710583 /nfs/dbraw/zinc/71/05/83/1387710583.db2.gz KVLHOKFDLOEKAU-OAQYLSRUSA-N 2 1 332.532 3.485 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001324648871 1387717494 /nfs/dbraw/zinc/71/74/94/1387717494.db2.gz XEKMZXQRJFZJMF-FXAWDEMLSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001324648871 1387717496 /nfs/dbraw/zinc/71/74/96/1387717496.db2.gz XEKMZXQRJFZJMF-FXAWDEMLSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001324648871 1387717498 /nfs/dbraw/zinc/71/74/98/1387717498.db2.gz XEKMZXQRJFZJMF-FXAWDEMLSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2C)C[C@H]1C ZINC001102475418 1365075868 /nfs/dbraw/zinc/07/58/68/1365075868.db2.gz NQDZSWJQAIZCMQ-CEXWTWQISA-N 2 1 345.531 3.082 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001102507814 1365092016 /nfs/dbraw/zinc/09/20/16/1365092016.db2.gz PVQGXXSRKYJKHC-RTBURBONSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001102524641 1365099463 /nfs/dbraw/zinc/09/94/63/1365099463.db2.gz PDUFYNRNABPRHC-GUDVDZBRSA-N 2 1 339.568 3.085 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001102524641 1365099468 /nfs/dbraw/zinc/09/94/68/1365099468.db2.gz PDUFYNRNABPRHC-GUDVDZBRSA-N 2 1 339.568 3.085 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001102524641 1365099471 /nfs/dbraw/zinc/09/94/71/1365099471.db2.gz PDUFYNRNABPRHC-GUDVDZBRSA-N 2 1 339.568 3.085 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001102977037 1365324611 /nfs/dbraw/zinc/32/46/11/1365324611.db2.gz JXGZYNJVPOCBIV-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001102977037 1365324620 /nfs/dbraw/zinc/32/46/20/1365324620.db2.gz JXGZYNJVPOCBIV-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001102977037 1365324633 /nfs/dbraw/zinc/32/46/33/1365324633.db2.gz JXGZYNJVPOCBIV-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001103060568 1365359921 /nfs/dbraw/zinc/35/99/21/1365359921.db2.gz SXMYTTCGFGLPCY-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001103060568 1365359925 /nfs/dbraw/zinc/35/99/25/1365359925.db2.gz SXMYTTCGFGLPCY-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001103060568 1365359928 /nfs/dbraw/zinc/35/99/28/1365359928.db2.gz SXMYTTCGFGLPCY-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103089905 1365375738 /nfs/dbraw/zinc/37/57/38/1365375738.db2.gz FYXYBPVIJGUOKF-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001103089905 1365375741 /nfs/dbraw/zinc/37/57/41/1365375741.db2.gz FYXYBPVIJGUOKF-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001103089905 1365375744 /nfs/dbraw/zinc/37/57/44/1365375744.db2.gz FYXYBPVIJGUOKF-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001103149870 1365410940 /nfs/dbraw/zinc/41/09/40/1365410940.db2.gz OXESIYNMXKQHOP-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001103149870 1365410942 /nfs/dbraw/zinc/41/09/42/1365410942.db2.gz OXESIYNMXKQHOP-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001103149870 1365410943 /nfs/dbraw/zinc/41/09/43/1365410943.db2.gz OXESIYNMXKQHOP-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001103543945 1365624724 /nfs/dbraw/zinc/62/47/24/1365624724.db2.gz AYQOBOKQLGZBHO-QRVBRYPASA-N 2 1 339.568 3.227 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@](C)(C[NH2+]CC2CCCCCC2)C1)C1CCC1 ZINC001324740568 1387758780 /nfs/dbraw/zinc/75/87/80/1387758780.db2.gz HTEPVANCWHPWHV-OAQYLSRUSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001103663421 1365711697 /nfs/dbraw/zinc/71/16/97/1365711697.db2.gz AFKYHOGDLHTTBO-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001103663421 1365711699 /nfs/dbraw/zinc/71/16/99/1365711699.db2.gz AFKYHOGDLHTTBO-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001103663421 1365711700 /nfs/dbraw/zinc/71/17/00/1365711700.db2.gz AFKYHOGDLHTTBO-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001103753482 1365765202 /nfs/dbraw/zinc/76/52/02/1365765202.db2.gz KROOPMCNNHXZIS-RTBURBONSA-N 2 1 337.552 3.127 20 0 EGADMP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001104676346 1366127229 /nfs/dbraw/zinc/12/72/29/1366127229.db2.gz GBJSUFGRPSLVCP-VMASUYHGSA-N 2 1 349.563 3.291 20 0 EGADMP CCCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396729 1366445059 /nfs/dbraw/zinc/44/50/59/1366445059.db2.gz UABKMPBPNDJZKA-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001105396729 1366445063 /nfs/dbraw/zinc/44/50/63/1366445063.db2.gz UABKMPBPNDJZKA-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001105396729 1366445065 /nfs/dbraw/zinc/44/50/65/1366445065.db2.gz UABKMPBPNDJZKA-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CCC[C@@H]2C)CCC1 ZINC001105563544 1366532875 /nfs/dbraw/zinc/53/28/75/1366532875.db2.gz PBNBLYOQYKXRLX-OALUTQOASA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CC[C@@H](C)C2)CCC1 ZINC001105563328 1366532902 /nfs/dbraw/zinc/53/29/02/1366532902.db2.gz JYCCIJHIQNMOQZ-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)CCC1 ZINC001105579746 1366542992 /nfs/dbraw/zinc/54/29/92/1366542992.db2.gz UNPLEYBQFDGZDQ-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001106248776 1366633156 /nfs/dbraw/zinc/63/31/56/1366633156.db2.gz YRWBYVZQYHZMIZ-PFRNKHFKSA-N 2 1 349.563 3.005 20 0 EGADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001106272075 1366639933 /nfs/dbraw/zinc/63/99/33/1366639933.db2.gz RFFKNZWTCKNEON-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001107039009 1366863109 /nfs/dbraw/zinc/86/31/09/1366863109.db2.gz LBVGDRMYHOGROR-RLLQIKCJSA-N 2 1 345.531 3.020 20 0 EGADMP CCCC[N@H+]1CCC[C@@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001324943748 1387838923 /nfs/dbraw/zinc/83/89/23/1387838923.db2.gz LMKGJFJSIZCOKA-FQEVSTJZSA-N 2 1 342.487 3.275 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCC1)CC2 ZINC001107546909 1367037031 /nfs/dbraw/zinc/03/70/31/1367037031.db2.gz SWFDRPXZQMHVOX-FBBABVLZSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2 ZINC001107546909 1367037035 /nfs/dbraw/zinc/03/70/35/1367037035.db2.gz SWFDRPXZQMHVOX-FBBABVLZSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2 ZINC001107546909 1367037041 /nfs/dbraw/zinc/03/70/41/1367037041.db2.gz SWFDRPXZQMHVOX-FBBABVLZSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552693 1367040025 /nfs/dbraw/zinc/04/00/25/1367040025.db2.gz RTZDMGOQSBFRAB-WIYYLYMNSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552693 1367040029 /nfs/dbraw/zinc/04/00/29/1367040029.db2.gz RTZDMGOQSBFRAB-WIYYLYMNSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552693 1367040033 /nfs/dbraw/zinc/04/00/33/1367040033.db2.gz RTZDMGOQSBFRAB-WIYYLYMNSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107564088 1367045287 /nfs/dbraw/zinc/04/52/87/1367045287.db2.gz HQBYQQPRMGBPNY-YLJYHZDGSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC001107564088 1367045293 /nfs/dbraw/zinc/04/52/93/1367045293.db2.gz HQBYQQPRMGBPNY-YLJYHZDGSA-N 2 1 346.519 3.023 20 0 EGADMP CC1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CCCC(C)(C)C)C[C@H]32)CC1 ZINC001189531086 1367046143 /nfs/dbraw/zinc/04/61/43/1367046143.db2.gz YHWDHVSLJSDOQV-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001109371389 1367091391 /nfs/dbraw/zinc/09/13/91/1367091391.db2.gz BGFZIEBSKOJVBL-CARIKJKMSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001109371389 1367091400 /nfs/dbraw/zinc/09/14/00/1367091400.db2.gz BGFZIEBSKOJVBL-CARIKJKMSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001109371389 1367091410 /nfs/dbraw/zinc/09/14/10/1367091410.db2.gz BGFZIEBSKOJVBL-CARIKJKMSA-N 2 1 347.547 3.329 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001189906123 1367127893 /nfs/dbraw/zinc/12/78/93/1367127893.db2.gz BDIZHLAVFSOWFI-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001189906123 1367127896 /nfs/dbraw/zinc/12/78/96/1367127896.db2.gz BDIZHLAVFSOWFI-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001189906123 1367127899 /nfs/dbraw/zinc/12/78/99/1367127899.db2.gz BDIZHLAVFSOWFI-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109463902 1367138543 /nfs/dbraw/zinc/13/85/43/1367138543.db2.gz BWHLEMNYADIAKG-IPDQBPKRSA-N 2 1 335.536 3.185 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001109463902 1367138547 /nfs/dbraw/zinc/13/85/47/1367138547.db2.gz BWHLEMNYADIAKG-IPDQBPKRSA-N 2 1 335.536 3.185 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001109463902 1367138549 /nfs/dbraw/zinc/13/85/49/1367138549.db2.gz BWHLEMNYADIAKG-IPDQBPKRSA-N 2 1 335.536 3.185 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CC1 ZINC001109471732 1367143439 /nfs/dbraw/zinc/14/34/39/1367143439.db2.gz IDVRHSMRZWOOTF-QYZOEREBSA-N 2 1 347.547 3.161 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1 ZINC001109471732 1367143442 /nfs/dbraw/zinc/14/34/42/1367143442.db2.gz IDVRHSMRZWOOTF-QYZOEREBSA-N 2 1 347.547 3.161 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001109471732 1367143446 /nfs/dbraw/zinc/14/34/46/1367143446.db2.gz IDVRHSMRZWOOTF-QYZOEREBSA-N 2 1 347.547 3.161 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190177269 1367191057 /nfs/dbraw/zinc/19/10/57/1367191057.db2.gz QRXOCFCWVDCPBC-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109589988 1367215223 /nfs/dbraw/zinc/21/52/23/1367215223.db2.gz NAITYFFZKCJSGP-SQNIBIBYSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190652761 1367317464 /nfs/dbraw/zinc/31/74/64/1367317464.db2.gz AJOAOSDWWKPIAL-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190652761 1367317470 /nfs/dbraw/zinc/31/74/70/1367317470.db2.gz AJOAOSDWWKPIAL-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190652761 1367317476 /nfs/dbraw/zinc/31/74/76/1367317476.db2.gz AJOAOSDWWKPIAL-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656326 1367319800 /nfs/dbraw/zinc/31/98/00/1367319800.db2.gz RZSKKJULIYDIMI-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190656326 1367319805 /nfs/dbraw/zinc/31/98/05/1367319805.db2.gz RZSKKJULIYDIMI-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190656326 1367319810 /nfs/dbraw/zinc/31/98/10/1367319810.db2.gz RZSKKJULIYDIMI-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001109796838 1367328016 /nfs/dbraw/zinc/32/80/16/1367328016.db2.gz ICTRVKKYOVXOPF-YRPNKDGESA-N 2 1 349.563 3.409 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC=C(C)C ZINC001109856636 1367360660 /nfs/dbraw/zinc/36/06/60/1367360660.db2.gz VNMHATKIUQGJJW-QYZOEREBSA-N 2 1 335.536 3.186 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(C)C ZINC001109856636 1367360665 /nfs/dbraw/zinc/36/06/65/1367360665.db2.gz VNMHATKIUQGJJW-QYZOEREBSA-N 2 1 335.536 3.186 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001109856636 1367360668 /nfs/dbraw/zinc/36/06/68/1367360668.db2.gz VNMHATKIUQGJJW-QYZOEREBSA-N 2 1 335.536 3.186 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191061465 1367413256 /nfs/dbraw/zinc/41/32/56/1367413256.db2.gz KEYRDQOOPPFBGQ-GOSISDBHSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001191061465 1367413261 /nfs/dbraw/zinc/41/32/61/1367413261.db2.gz KEYRDQOOPPFBGQ-GOSISDBHSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001191061465 1367413265 /nfs/dbraw/zinc/41/32/65/1367413265.db2.gz KEYRDQOOPPFBGQ-GOSISDBHSA-N 2 1 337.552 3.362 20 0 EGADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001191223781 1367449806 /nfs/dbraw/zinc/44/98/06/1367449806.db2.gz PYHZQOBHIDUDNS-WOJBJXKFSA-N 2 1 338.511 3.416 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC2(CCC2)C1 ZINC001110018002 1367460238 /nfs/dbraw/zinc/46/02/38/1367460238.db2.gz WYABHPMJPQMHKH-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC2(CCC2)C1 ZINC001110018002 1367460242 /nfs/dbraw/zinc/46/02/42/1367460242.db2.gz WYABHPMJPQMHKH-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC2(CCC2)C1 ZINC001110018002 1367460245 /nfs/dbraw/zinc/46/02/45/1367460245.db2.gz WYABHPMJPQMHKH-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001110153976 1367527793 /nfs/dbraw/zinc/52/77/93/1367527793.db2.gz VOZLZNBHNKSGGE-HOJAQTOUSA-N 2 1 343.515 3.274 20 0 EGADMP CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001108766503 1367582322 /nfs/dbraw/zinc/58/23/22/1367582322.db2.gz ZEUISVZFQHDBIN-OTWHNJEPSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCC(C)(C)C)C2)C1 ZINC001191923104 1367641356 /nfs/dbraw/zinc/64/13/56/1367641356.db2.gz QNJHVYQDCCEXPO-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCC(C)(C)C)C2)C1 ZINC001191923104 1367641358 /nfs/dbraw/zinc/64/13/58/1367641358.db2.gz QNJHVYQDCCEXPO-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCC(C)(C)C)C2)C1 ZINC001191923104 1367641360 /nfs/dbraw/zinc/64/13/60/1367641360.db2.gz QNJHVYQDCCEXPO-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191950005 1367647877 /nfs/dbraw/zinc/64/78/77/1367647877.db2.gz SEFOGZZNDSMZRT-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191950005 1367647882 /nfs/dbraw/zinc/64/78/82/1367647882.db2.gz SEFOGZZNDSMZRT-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191950005 1367647885 /nfs/dbraw/zinc/64/78/85/1367647885.db2.gz SEFOGZZNDSMZRT-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CCC(C)(C)C)C1 ZINC001192907274 1367901391 /nfs/dbraw/zinc/90/13/91/1367901391.db2.gz VGCFKWAQOYJDOC-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001192907274 1367901392 /nfs/dbraw/zinc/90/13/92/1367901392.db2.gz VGCFKWAQOYJDOC-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001192907274 1367901396 /nfs/dbraw/zinc/90/13/96/1367901396.db2.gz VGCFKWAQOYJDOC-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110661502 1367903725 /nfs/dbraw/zinc/90/37/25/1367903725.db2.gz VTJASIWYVFNGHO-NMLBUPMWSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001110661502 1367903729 /nfs/dbraw/zinc/90/37/29/1367903729.db2.gz VTJASIWYVFNGHO-NMLBUPMWSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001110661502 1367903733 /nfs/dbraw/zinc/90/37/33/1367903733.db2.gz VTJASIWYVFNGHO-NMLBUPMWSA-N 2 1 349.563 3.122 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1)C(C)C ZINC001192918193 1367905023 /nfs/dbraw/zinc/90/50/23/1367905023.db2.gz YGFKSCRZVCQILG-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC2=CCCCC2)C1)C(C)C ZINC001192923930 1367905420 /nfs/dbraw/zinc/90/54/20/1367905420.db2.gz QKTFWVHNCNTUGT-PMACEKPBSA-N 2 1 349.563 3.386 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001110738711 1367955546 /nfs/dbraw/zinc/95/55/46/1367955546.db2.gz POZYOSQIBRUTRQ-KURKYZTESA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001110738711 1367955549 /nfs/dbraw/zinc/95/55/49/1367955549.db2.gz POZYOSQIBRUTRQ-KURKYZTESA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001110738711 1367955554 /nfs/dbraw/zinc/95/55/54/1367955554.db2.gz POZYOSQIBRUTRQ-KURKYZTESA-N 2 1 335.536 3.019 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754220 1367961898 /nfs/dbraw/zinc/96/18/98/1367961898.db2.gz JRQFVWISBMPKPP-MVUOPPMJSA-N 2 1 347.547 3.185 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001110754220 1367961903 /nfs/dbraw/zinc/96/19/03/1367961903.db2.gz JRQFVWISBMPKPP-MVUOPPMJSA-N 2 1 347.547 3.185 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001110754220 1367961909 /nfs/dbraw/zinc/96/19/09/1367961909.db2.gz JRQFVWISBMPKPP-MVUOPPMJSA-N 2 1 347.547 3.185 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193204249 1367966207 /nfs/dbraw/zinc/96/62/07/1367966207.db2.gz DHMBYEHZJPSIEJ-IBGZPJMESA-N 2 1 337.552 3.076 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@@H+](C)CC[C@@H](C)F)C1 ZINC001193424783 1368027177 /nfs/dbraw/zinc/02/71/77/1368027177.db2.gz PAPSDZFQRRVJAX-QZTJIDSGSA-N 2 1 343.531 3.169 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@@H+](C)C[C@@H](F)CC)C1 ZINC001193424473 1368027511 /nfs/dbraw/zinc/02/75/11/1368027511.db2.gz MNCFJFGGEGUTRV-ROUUACIJSA-N 2 1 343.531 3.169 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@@H+](C)C[C@H](C)CC)C1 ZINC001193423931 1368027622 /nfs/dbraw/zinc/02/76/22/1368027622.db2.gz HVSAIDKHSYZQQN-RTBURBONSA-N 2 1 339.568 3.467 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC1)C1CCCCC1 ZINC001110857517 1368037635 /nfs/dbraw/zinc/03/76/35/1368037635.db2.gz FPBHHQHACMGCNW-AQNXPRMDSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1)C1CCCCC1 ZINC001110857517 1368037638 /nfs/dbraw/zinc/03/76/38/1368037638.db2.gz FPBHHQHACMGCNW-AQNXPRMDSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1)C1CCCCC1 ZINC001110857517 1368037642 /nfs/dbraw/zinc/03/76/42/1368037642.db2.gz FPBHHQHACMGCNW-AQNXPRMDSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001193609783 1368073308 /nfs/dbraw/zinc/07/33/08/1368073308.db2.gz IVKFZNHWAIOYIP-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001193609783 1368073311 /nfs/dbraw/zinc/07/33/11/1368073311.db2.gz IVKFZNHWAIOYIP-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001193609783 1368073319 /nfs/dbraw/zinc/07/33/19/1368073319.db2.gz IVKFZNHWAIOYIP-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001193610126 1368073437 /nfs/dbraw/zinc/07/34/37/1368073437.db2.gz LSSGSQULNWFONF-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001193610126 1368073444 /nfs/dbraw/zinc/07/34/44/1368073444.db2.gz LSSGSQULNWFONF-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001193610126 1368073450 /nfs/dbraw/zinc/07/34/50/1368073450.db2.gz LSSGSQULNWFONF-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001193609539 1368073597 /nfs/dbraw/zinc/07/35/97/1368073597.db2.gz CMKLWNLZYXZMCN-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001193609539 1368073599 /nfs/dbraw/zinc/07/35/99/1368073599.db2.gz CMKLWNLZYXZMCN-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001193609539 1368073603 /nfs/dbraw/zinc/07/36/03/1368073603.db2.gz CMKLWNLZYXZMCN-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001193610463 1368073823 /nfs/dbraw/zinc/07/38/23/1368073823.db2.gz PIJZHRYTNWVUQN-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001193610463 1368073825 /nfs/dbraw/zinc/07/38/25/1368073825.db2.gz PIJZHRYTNWVUQN-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001193610463 1368073830 /nfs/dbraw/zinc/07/38/30/1368073830.db2.gz PIJZHRYTNWVUQN-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001111097010 1368157840 /nfs/dbraw/zinc/15/78/40/1368157840.db2.gz GOKZPCBWIXIVLW-CIYDVTBMSA-N 2 1 347.547 3.329 20 0 EGADMP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150148 1368166105 /nfs/dbraw/zinc/16/61/05/1368166105.db2.gz HBIZBOLTZKQXIY-KSULIHCOSA-N 2 1 344.503 3.050 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150148 1368166109 /nfs/dbraw/zinc/16/61/09/1368166109.db2.gz HBIZBOLTZKQXIY-KSULIHCOSA-N 2 1 344.503 3.050 20 0 EGADMP CCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194409872 1368255304 /nfs/dbraw/zinc/25/53/04/1368255304.db2.gz QXKVWTYXARXFIA-INIZCTEOSA-N 2 1 335.492 3.068 20 0 EGADMP CC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449142 1368264638 /nfs/dbraw/zinc/26/46/38/1368264638.db2.gz PVTRUTYCEALTAT-XJDXJNMNSA-N 2 1 343.515 3.007 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449142 1368264641 /nfs/dbraw/zinc/26/46/41/1368264641.db2.gz PVTRUTYCEALTAT-XJDXJNMNSA-N 2 1 343.515 3.007 20 0 EGADMP CC/C=C/CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194449142 1368264643 /nfs/dbraw/zinc/26/46/43/1368264643.db2.gz PVTRUTYCEALTAT-XJDXJNMNSA-N 2 1 343.515 3.007 20 0 EGADMP CC/C=C/CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194449142 1368264647 /nfs/dbraw/zinc/26/46/47/1368264647.db2.gz PVTRUTYCEALTAT-XJDXJNMNSA-N 2 1 343.515 3.007 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cccnc2N(C)C)CC1 ZINC001325309406 1387931041 /nfs/dbraw/zinc/93/10/41/1387931041.db2.gz MGNPIALBMNFXBD-KRWDZBQOSA-N 2 1 338.499 3.463 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415316 1368302878 /nfs/dbraw/zinc/30/28/78/1368302878.db2.gz MBBBKIRAQVPFIX-MKXGPGLRSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467703 1368313065 /nfs/dbraw/zinc/31/30/65/1368313065.db2.gz SJJUBOYRRNPUOW-ZRNYENFQSA-N 2 1 349.563 3.265 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCCC(C)(C)C)C3)CC[N@H+]1C ZINC001111753278 1368443638 /nfs/dbraw/zinc/44/36/38/1368443638.db2.gz ONXDEILKAHACQY-IIMDRIAPSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCCC(C)(C)C)C3)CC[NH+]1C ZINC001111753278 1368443643 /nfs/dbraw/zinc/44/36/43/1368443643.db2.gz ONXDEILKAHACQY-IIMDRIAPSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCC(C)(C)C)C3)CC[NH+]1C ZINC001111753278 1368443644 /nfs/dbraw/zinc/44/36/44/1368443644.db2.gz ONXDEILKAHACQY-IIMDRIAPSA-N 2 1 349.563 3.124 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001195853092 1368504305 /nfs/dbraw/zinc/50/43/05/1368504305.db2.gz GSBPWNRKACDPIH-WEPWYQGCSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001195853092 1368504306 /nfs/dbraw/zinc/50/43/06/1368504306.db2.gz GSBPWNRKACDPIH-WEPWYQGCSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001195853092 1368504308 /nfs/dbraw/zinc/50/43/08/1368504308.db2.gz GSBPWNRKACDPIH-WEPWYQGCSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](CC)CC)C1 ZINC001111908861 1368549263 /nfs/dbraw/zinc/54/92/63/1368549263.db2.gz VNHCNUSNMXIRFV-VSQWLSRBSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001196163210 1368560252 /nfs/dbraw/zinc/56/02/52/1368560252.db2.gz IXSUXWCPUUGWNK-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001196163210 1368560258 /nfs/dbraw/zinc/56/02/58/1368560258.db2.gz IXSUXWCPUUGWNK-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001196163210 1368560259 /nfs/dbraw/zinc/56/02/59/1368560259.db2.gz IXSUXWCPUUGWNK-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001196201319 1368566745 /nfs/dbraw/zinc/56/67/45/1368566745.db2.gz YETPXCZIXDUFBE-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001196201319 1368566747 /nfs/dbraw/zinc/56/67/47/1368566747.db2.gz YETPXCZIXDUFBE-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001196201319 1368566753 /nfs/dbraw/zinc/56/67/53/1368566753.db2.gz YETPXCZIXDUFBE-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCc1cccc(C[NH+]2CCCN(C(=O)C(C)(C)[N@H+](C)CC)CC2)c1 ZINC001196348826 1368595340 /nfs/dbraw/zinc/59/53/40/1368595340.db2.gz BORWPASIVDQOOE-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1cccc(C[N@H+]2CCCN(C(=O)C(C)(C)[NH+](C)CC)CC2)c1 ZINC001196348826 1368595342 /nfs/dbraw/zinc/59/53/42/1368595342.db2.gz BORWPASIVDQOOE-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1cccc(C[N@@H+]2CCCN(C(=O)C(C)(C)[NH+](C)CC)CC2)c1 ZINC001196348826 1368595346 /nfs/dbraw/zinc/59/53/46/1368595346.db2.gz BORWPASIVDQOOE-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP CCC(CC)C[N@H+]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196657109 1368657418 /nfs/dbraw/zinc/65/74/18/1368657418.db2.gz ZAUQDRKXKVVGTA-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001196718301 1368670141 /nfs/dbraw/zinc/67/01/41/1368670141.db2.gz ZEEBRWHEUHVRCA-VOTSOKGWSA-N 2 1 335.536 3.142 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[NH+](CC2CCCCC2)CC1)CC(C)(C)C ZINC001197187541 1368761523 /nfs/dbraw/zinc/76/15/23/1368761523.db2.gz IPZAZKLYZFGMSK-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP C[NH+](CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)CC(C)(C)C ZINC001197187541 1368761525 /nfs/dbraw/zinc/76/15/25/1368761525.db2.gz IPZAZKLYZFGMSK-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP C[NH+](CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)CC(C)(C)C ZINC001197187541 1368761532 /nfs/dbraw/zinc/76/15/32/1368761532.db2.gz IPZAZKLYZFGMSK-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[NH+](CCC2CCCC2)CC1)CC(C)(C)C ZINC001197187788 1368761913 /nfs/dbraw/zinc/76/19/13/1368761913.db2.gz MLCDMMFYXJIMNG-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP C[NH+](CC(=O)N1CCC[N@H+](CCC2CCCC2)CC1)CC(C)(C)C ZINC001197187788 1368761920 /nfs/dbraw/zinc/76/19/20/1368761920.db2.gz MLCDMMFYXJIMNG-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP C[NH+](CC(=O)N1CCC[N@@H+](CCC2CCCC2)CC1)CC(C)(C)C ZINC001197187788 1368761925 /nfs/dbraw/zinc/76/19/25/1368761925.db2.gz MLCDMMFYXJIMNG-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001197396737 1368805087 /nfs/dbraw/zinc/80/50/87/1368805087.db2.gz MFGWQKPLYFIYLZ-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001197396737 1368805093 /nfs/dbraw/zinc/80/50/93/1368805093.db2.gz MFGWQKPLYFIYLZ-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001197396737 1368805097 /nfs/dbraw/zinc/80/50/97/1368805097.db2.gz MFGWQKPLYFIYLZ-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCCN(C(=O)C[NH+](CC)CC)CC1 ZINC001197510442 1368829823 /nfs/dbraw/zinc/82/98/23/1368829823.db2.gz BGGKNWUZEBUACE-LJQANCHMSA-N 2 1 349.494 3.153 20 0 EGADMP CC(C)=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001112410938 1368830763 /nfs/dbraw/zinc/83/07/63/1368830763.db2.gz XYBHQPWADYYQAS-ZJOUEHCJSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@H+](C[C@@H](F)CC)CC1 ZINC001197795584 1368899661 /nfs/dbraw/zinc/89/96/61/1368899661.db2.gz YBFBJXBJSBMRRP-SFHVURJKSA-N 2 1 343.531 3.171 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](C[C@@H](F)CC)CC1 ZINC001197795584 1368899665 /nfs/dbraw/zinc/89/96/65/1368899665.db2.gz YBFBJXBJSBMRRP-SFHVURJKSA-N 2 1 343.531 3.171 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC001197898625 1368922091 /nfs/dbraw/zinc/92/20/91/1368922091.db2.gz HITUUPRKXGEEFW-FQEVSTJZSA-N 2 1 345.531 3.404 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@@H](CC)c2ccccc2)CC1 ZINC001197898625 1368922093 /nfs/dbraw/zinc/92/20/93/1368922093.db2.gz HITUUPRKXGEEFW-FQEVSTJZSA-N 2 1 345.531 3.404 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@H+]([C@@H](CC)c2ccccc2)CC1 ZINC001197898625 1368922100 /nfs/dbraw/zinc/92/21/00/1368922100.db2.gz HITUUPRKXGEEFW-FQEVSTJZSA-N 2 1 345.531 3.404 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2ccc(CC)cc2)CC1 ZINC001197908012 1368923042 /nfs/dbraw/zinc/92/30/42/1368923042.db2.gz PKTFALFKZUFNBO-UHFFFAOYSA-N 2 1 345.531 3.015 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001198136514 1368966624 /nfs/dbraw/zinc/96/66/24/1368966624.db2.gz SZXHQEBYEBTVAG-UHFFFAOYSA-N 2 1 349.563 3.367 20 0 EGADMP CC(C)c1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)C(C)C)CC2)cc1 ZINC001198275224 1368996107 /nfs/dbraw/zinc/99/61/07/1368996107.db2.gz YOGXBYKZOVAGTJ-UHFFFAOYSA-N 2 1 345.531 3.185 20 0 EGADMP CC(C)c1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)C(C)C)CC2)cc1 ZINC001198275224 1368996110 /nfs/dbraw/zinc/99/61/10/1368996110.db2.gz YOGXBYKZOVAGTJ-UHFFFAOYSA-N 2 1 345.531 3.185 20 0 EGADMP CC(C)c1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)C(C)C)CC2)cc1 ZINC001198275224 1368996111 /nfs/dbraw/zinc/99/61/11/1368996111.db2.gz YOGXBYKZOVAGTJ-UHFFFAOYSA-N 2 1 345.531 3.185 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001112855086 1369048391 /nfs/dbraw/zinc/04/83/91/1369048391.db2.gz KAILGQBMENJFDV-VOTSOKGWSA-N 2 1 335.536 3.142 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001113033060 1369154117 /nfs/dbraw/zinc/15/41/17/1369154117.db2.gz XMAQSUZVMVITHB-GOSISDBHSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001113033060 1369154120 /nfs/dbraw/zinc/15/41/20/1369154120.db2.gz XMAQSUZVMVITHB-GOSISDBHSA-N 2 1 331.504 3.012 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CCC3)CC2)CC1 ZINC001186604440 1387984366 /nfs/dbraw/zinc/98/43/66/1387984366.db2.gz DFABAMWHKNVOPD-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001186605929 1387985432 /nfs/dbraw/zinc/98/54/32/1387985432.db2.gz WFHMZIDEPLGWDN-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001113155336 1369232789 /nfs/dbraw/zinc/23/27/89/1369232789.db2.gz PUJDLWKCTRCOQS-SREVYHEPSA-N 2 1 349.563 3.389 20 0 EGADMP FC(F)Oc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001200376772 1369357222 /nfs/dbraw/zinc/35/72/22/1369357222.db2.gz FKWGOAUVJCGXCC-KRWDZBQOSA-N 2 1 340.414 3.021 20 0 EGADMP CC[C@@H](C(=O)N1CC[NH+]([C@H](C)c2ccccc2C)CC1)[NH+](CC)CC ZINC001113338438 1369357775 /nfs/dbraw/zinc/35/77/75/1369357775.db2.gz CZXTWSMNESIQBH-QUCCMNQESA-N 2 1 345.531 3.321 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001113441739 1369431471 /nfs/dbraw/zinc/43/14/71/1369431471.db2.gz QNNJTHWVWNRLGQ-OEIFXAAASA-N 2 1 337.552 3.243 20 0 EGADMP CCC[N@H+](CC)CC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001200864211 1369440639 /nfs/dbraw/zinc/44/06/39/1369440639.db2.gz RRXQQFXEYQQKAT-UHFFFAOYSA-N 2 1 341.540 3.391 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001200864211 1369440641 /nfs/dbraw/zinc/44/06/41/1369440641.db2.gz RRXQQFXEYQQKAT-UHFFFAOYSA-N 2 1 341.540 3.391 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001200893610 1369445322 /nfs/dbraw/zinc/44/53/22/1369445322.db2.gz FYYBYHGACZNUQN-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001201043806 1369470477 /nfs/dbraw/zinc/47/04/77/1369470477.db2.gz JPZSJFJIBOAXNZ-SFHVURJKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201052601 1369472657 /nfs/dbraw/zinc/47/26/57/1369472657.db2.gz GQIGRSQMSOQCDA-APWZRJJASA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[NH+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001113571287 1369497036 /nfs/dbraw/zinc/49/70/36/1369497036.db2.gz GFFQSVILLFXHAV-OALUTQOASA-N 2 1 337.552 3.079 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[NH+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001113571288 1369497269 /nfs/dbraw/zinc/49/72/69/1369497269.db2.gz GFFQSVILLFXHAV-RBUKOAKNSA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001201229661 1369499888 /nfs/dbraw/zinc/49/98/88/1369499888.db2.gz FPTDGQMBIJOJJP-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001201229710 1369500084 /nfs/dbraw/zinc/50/00/84/1369500084.db2.gz HFCORDHNRDAAAC-RBUKOAKNSA-N 2 1 335.536 3.164 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001201510153 1369561287 /nfs/dbraw/zinc/56/12/87/1369561287.db2.gz YMWRHAOINPCPAH-SFHVURJKSA-N 2 1 331.504 3.042 20 0 EGADMP C1=C2CCCN(CC3CCOCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001202597566 1369818396 /nfs/dbraw/zinc/81/83/96/1369818396.db2.gz CTXZTMJGJOYULL-DOIPELPJSA-N 2 1 330.516 3.308 20 0 EGADMP c1cncc(C[N@@H+]2CCC3(C2)CC[NH+](CCC2CCOCC2)CC3)c1 ZINC001202653255 1369838247 /nfs/dbraw/zinc/83/82/47/1369838247.db2.gz ZUWIBACOTZDHSZ-UHFFFAOYSA-N 2 1 343.515 3.186 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001202707850 1369859835 /nfs/dbraw/zinc/85/98/35/1369859835.db2.gz JUSXFDPSQGKHER-QGZVFWFLSA-N 2 1 348.535 3.269 20 0 EGADMP CC/C=C\CC[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001202758165 1369881594 /nfs/dbraw/zinc/88/15/94/1369881594.db2.gz WVACHXGWTMALPC-WAYWQWQTSA-N 2 1 346.519 3.334 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[NH+](CCC3CCCCCC3)C[C@H]21 ZINC001114488231 1369973653 /nfs/dbraw/zinc/97/36/53/1369973653.db2.gz JDYJABJDHMAEHR-BWTSREIZSA-N 2 1 349.563 3.124 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21 ZINC001114488231 1369973655 /nfs/dbraw/zinc/97/36/55/1369973655.db2.gz JDYJABJDHMAEHR-BWTSREIZSA-N 2 1 349.563 3.124 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]21 ZINC001114488231 1369973657 /nfs/dbraw/zinc/97/36/57/1369973657.db2.gz JDYJABJDHMAEHR-BWTSREIZSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114624501 1369998895 /nfs/dbraw/zinc/99/88/95/1369998895.db2.gz UEAMSFMGIAOUMF-KXTWHKPSSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001114624501 1369998901 /nfs/dbraw/zinc/99/89/01/1369998901.db2.gz UEAMSFMGIAOUMF-KXTWHKPSSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001114624501 1369998904 /nfs/dbraw/zinc/99/89/04/1369998904.db2.gz UEAMSFMGIAOUMF-KXTWHKPSSA-N 2 1 349.563 3.124 20 0 EGADMP OCc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001203193326 1370019126 /nfs/dbraw/zinc/01/91/26/1370019126.db2.gz KUEHWTKXSCYQGD-YADHBBJMSA-N 2 1 336.479 3.133 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC001203278176 1370057267 /nfs/dbraw/zinc/05/72/67/1370057267.db2.gz DZRJOWNCQFVZRT-LSTHTHJFSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC001203278176 1370057271 /nfs/dbraw/zinc/05/72/71/1370057271.db2.gz DZRJOWNCQFVZRT-LSTHTHJFSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccco3)C[C@@H]21 ZINC001203278176 1370057274 /nfs/dbraw/zinc/05/72/74/1370057274.db2.gz DZRJOWNCQFVZRT-LSTHTHJFSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccco3)C[C@@H]21 ZINC001203278176 1370057277 /nfs/dbraw/zinc/05/72/77/1370057277.db2.gz DZRJOWNCQFVZRT-LSTHTHJFSA-N 2 1 325.456 3.407 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC001203278176 1370057280 /nfs/dbraw/zinc/05/72/80/1370057280.db2.gz DZRJOWNCQFVZRT-LSTHTHJFSA-N 2 1 325.456 3.407 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC001203278176 1370057283 /nfs/dbraw/zinc/05/72/83/1370057283.db2.gz DZRJOWNCQFVZRT-LSTHTHJFSA-N 2 1 325.456 3.407 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc2n[nH]cc21 ZINC001203357635 1370096475 /nfs/dbraw/zinc/09/64/75/1370096475.db2.gz MDFBLBJREFUALB-APWZRJJASA-N 2 1 334.467 3.421 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C12CCC2)CC(C)(C)C ZINC001203426794 1370121152 /nfs/dbraw/zinc/12/11/52/1370121152.db2.gz QPTNJEMPGWSRPG-MSOLQXFVSA-N 2 1 349.563 3.172 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(C)C)C12CCC2 ZINC001203506311 1370148044 /nfs/dbraw/zinc/14/80/44/1370148044.db2.gz IPSRJVGPUZLCRT-MSOLQXFVSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CC(CC)CC)C12CCC2 ZINC001203641776 1370198613 /nfs/dbraw/zinc/19/86/13/1370198613.db2.gz VDDJUUZGCZXEQT-ZWKOTPCHSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203791329 1370266003 /nfs/dbraw/zinc/26/60/03/1370266003.db2.gz HGZODZGGKOHNFH-RBUKOAKNSA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001203903814 1370307533 /nfs/dbraw/zinc/30/75/33/1370307533.db2.gz OIUJVJVBDKIGEE-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(=O)Nc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001203927133 1370316841 /nfs/dbraw/zinc/31/68/41/1370316841.db2.gz HZAWIGORNCNVFD-VQTJNVASSA-N 2 1 329.488 3.484 20 0 EGADMP CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001203927133 1370316846 /nfs/dbraw/zinc/31/68/46/1370316846.db2.gz HZAWIGORNCNVFD-VQTJNVASSA-N 2 1 329.488 3.484 20 0 EGADMP CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001203927133 1370316852 /nfs/dbraw/zinc/31/68/52/1370316852.db2.gz HZAWIGORNCNVFD-VQTJNVASSA-N 2 1 329.488 3.484 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)CCc2ccccn2)cc1 ZINC001204263712 1370426106 /nfs/dbraw/zinc/42/61/06/1370426106.db2.gz AVDOXDMWBFDIAS-UHFFFAOYSA-N 2 1 327.472 3.087 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCc3cc(O)ccc3C2)cc1 ZINC001204264034 1370426148 /nfs/dbraw/zinc/42/61/48/1370426148.db2.gz QQQJWZSMBVADQN-UHFFFAOYSA-N 2 1 340.467 3.281 20 0 EGADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204271198 1370428389 /nfs/dbraw/zinc/42/83/89/1370428389.db2.gz ITDCTRXMIGENOC-UFRUDQCGSA-N 2 1 332.488 3.159 20 0 EGADMP CCCCCOc1ccc(C[NH+]2CCN(CCC[NH+](C)C)CC2)cc1 ZINC001204316215 1370441618 /nfs/dbraw/zinc/44/16/18/1370441618.db2.gz PQKCKUDHZVFVJE-UHFFFAOYSA-N 2 1 347.547 3.325 20 0 EGADMP CCc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)o1 ZINC001204389841 1370463702 /nfs/dbraw/zinc/46/37/02/1370463702.db2.gz DPAZYKDCMVSRTC-PXNSSMCTSA-N 2 1 332.488 3.022 20 0 EGADMP CCc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)o1 ZINC001204389841 1370463704 /nfs/dbraw/zinc/46/37/04/1370463704.db2.gz DPAZYKDCMVSRTC-PXNSSMCTSA-N 2 1 332.488 3.022 20 0 EGADMP CCc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)o1 ZINC001204389841 1370463708 /nfs/dbraw/zinc/46/37/08/1370463708.db2.gz DPAZYKDCMVSRTC-PXNSSMCTSA-N 2 1 332.488 3.022 20 0 EGADMP CCc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)o1 ZINC001204389841 1370463712 /nfs/dbraw/zinc/46/37/12/1370463712.db2.gz DPAZYKDCMVSRTC-PXNSSMCTSA-N 2 1 332.488 3.022 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC001204502726 1370495352 /nfs/dbraw/zinc/49/53/52/1370495352.db2.gz ISEIXNNVFCOLEM-UHFFFAOYSA-N 2 1 340.515 3.084 20 0 EGADMP C[N@@H+](CC(=O)NCC1([NH2+]CC2CCCC2)CCCCC1)C1CCC1 ZINC001115573117 1370576008 /nfs/dbraw/zinc/57/60/08/1370576008.db2.gz IUIOBJNSIYQGPP-UHFFFAOYSA-N 2 1 335.536 3.070 20 0 EGADMP C[C@H](F)CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579361 1370582828 /nfs/dbraw/zinc/58/28/28/1370582828.db2.gz KESGATKEGVCCGI-IRXDYDNUSA-N 2 1 341.515 3.018 20 0 EGADMP CC/C=C\CC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)CC)CCCCC1 ZINC001115601540 1370601024 /nfs/dbraw/zinc/60/10/24/1370601024.db2.gz GCATVIZEJSMDCJ-HJWRWDBZSA-N 2 1 337.552 3.482 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1([NH2+]Cc2ccccc2)CCCCC1 ZINC001115601905 1370601836 /nfs/dbraw/zinc/60/18/36/1370601836.db2.gz YLYVQTMMFUKFCZ-UHFFFAOYSA-N 2 1 345.531 3.326 20 0 EGADMP CCCCCC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCCCC1 ZINC001115630784 1370624139 /nfs/dbraw/zinc/62/41/39/1370624139.db2.gz YQKBZAIIARFFHZ-UHFFFAOYSA-N 2 1 334.508 3.181 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c3cccc(OC)c23)C1 ZINC001205008435 1370626823 /nfs/dbraw/zinc/62/68/23/1370626823.db2.gz AOXGRKDCHKQOOT-HNNXBMFYSA-N 2 1 328.456 3.288 20 0 EGADMP Cc1c(F)cc(Br)c(C[NH+]2CCC(C[NH3+])CC2)c1F ZINC001205058236 1370639729 /nfs/dbraw/zinc/63/97/29/1370639729.db2.gz HJOZSFNEEACAAM-UHFFFAOYSA-N 2 1 333.220 3.206 20 0 EGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3ncc(Br)cc3c2)CC1 ZINC001205124363 1370657806 /nfs/dbraw/zinc/65/78/06/1370657806.db2.gz OZQJLRHJXQFGTM-OAHLLOKOSA-N 2 1 334.261 3.311 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccccc2Oc2ccc(F)cc2)CC1 ZINC001205221335 1370686177 /nfs/dbraw/zinc/68/61/77/1370686177.db2.gz RVOZCYXFZDYYMQ-FQEVSTJZSA-N 2 1 344.430 3.294 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001205270930 1370701956 /nfs/dbraw/zinc/70/19/56/1370701956.db2.gz COHLBNGHVGMEFT-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@H]2C)CCCCC1 ZINC001115729378 1370711383 /nfs/dbraw/zinc/71/13/83/1370711383.db2.gz CTRJDNXHUHGCSG-GOSISDBHSA-N 2 1 337.552 3.316 20 0 EGADMP CC[C@@H](F)C[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCCCC1 ZINC001115729992 1370711865 /nfs/dbraw/zinc/71/18/65/1370711865.db2.gz AMPCUTKUEHRSCQ-MRXNPFEDSA-N 2 1 343.531 3.121 20 0 EGADMP CC(C)CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115730482 1370713006 /nfs/dbraw/zinc/71/30/06/1370713006.db2.gz LAURHRBNWBEJLF-MSOLQXFVSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2c(Br)[nH]c3ccccc32)C[C@@H]1C[NH3+] ZINC001205303168 1370713875 /nfs/dbraw/zinc/71/38/75/1370713875.db2.gz AHKXGRYJWXVLDP-NEPJUHHUSA-N 2 1 336.277 3.347 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c(Br)[nH]c3ccccc32)C[C@@H]1C[NH3+] ZINC001205303168 1370713877 /nfs/dbraw/zinc/71/38/77/1370713877.db2.gz AHKXGRYJWXVLDP-NEPJUHHUSA-N 2 1 336.277 3.347 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115730948 1370714090 /nfs/dbraw/zinc/71/40/90/1370714090.db2.gz VNLNZTZKLAIMSX-PKOBYXMFSA-N 2 1 349.563 3.173 20 0 EGADMP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001115768847 1370753186 /nfs/dbraw/zinc/75/31/86/1370753186.db2.gz JXFOLRLVXCBTCX-RTBURBONSA-N 2 1 347.547 3.212 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205460892 1370762237 /nfs/dbraw/zinc/76/22/37/1370762237.db2.gz ADEBYAKIWLQFAO-XJDXJNMNSA-N 2 1 349.563 3.434 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205518942 1370778762 /nfs/dbraw/zinc/77/87/62/1370778762.db2.gz PUPDKMHODLNLJL-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545193 1370787235 /nfs/dbraw/zinc/78/72/35/1370787235.db2.gz AHFDJDQIISUHBL-IBGZPJMESA-N 2 1 330.451 3.142 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)cs2)cc1 ZINC001205591235 1370802873 /nfs/dbraw/zinc/80/28/73/1370802873.db2.gz ICZWDQUEQGZSBJ-SFHVURJKSA-N 2 1 349.475 3.472 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205601631 1370806376 /nfs/dbraw/zinc/80/63/76/1370806376.db2.gz FLFBSOOHUXCHLD-QAPCUYQASA-N 2 1 326.488 3.296 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccc(Br)nc2Cl)CC[C@H]1C[NH3+] ZINC001205618304 1370812597 /nfs/dbraw/zinc/81/25/97/1370812597.db2.gz UITAWAPKFRWUFN-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(Br)nc2Cl)CC[C@H]1C[NH3+] ZINC001205618304 1370812605 /nfs/dbraw/zinc/81/26/05/1370812605.db2.gz UITAWAPKFRWUFN-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP c1cc(-c2ccc([C@@H]3CCC[NH2+]3)cn2)ccc1CC[NH+]1CCOCC1 ZINC001205613587 1370810455 /nfs/dbraw/zinc/81/04/55/1370810455.db2.gz XRUMIWPVFBWOPK-FQEVSTJZSA-N 2 1 337.467 3.048 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc1Br ZINC001205627649 1370817582 /nfs/dbraw/zinc/81/75/82/1370817582.db2.gz RHFVRGMUEGOYJM-GXTWGEPZSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c(Br)ccc(O)c2F)CC[C@H]1C[NH3+] ZINC001205651266 1370829315 /nfs/dbraw/zinc/82/93/15/1370829315.db2.gz BUJKISNEULTJEO-MNOVXSKESA-N 2 1 345.256 3.101 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccnc(OCc3ccccc3)c2)CC[C@H]1C[NH3+] ZINC001205665658 1370835075 /nfs/dbraw/zinc/83/50/75/1370835075.db2.gz SZFIHANXMZRZCC-PXNSSMCTSA-N 2 1 339.483 3.467 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001205687972 1370843393 /nfs/dbraw/zinc/84/33/93/1370843393.db2.gz CDCHXTOLGXGOEX-FQEVSTJZSA-N 2 1 328.431 3.168 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CC(C)(C)c1ccc(OC)c(OC)c1 ZINC001205717065 1370850181 /nfs/dbraw/zinc/85/01/81/1370850181.db2.gz OORXVMDVDTZMHH-KRWDZBQOSA-N 2 1 334.504 3.445 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CC(C)(C)c1ccc(OC)c(OC)c1 ZINC001205717065 1370850185 /nfs/dbraw/zinc/85/01/85/1370850185.db2.gz OORXVMDVDTZMHH-KRWDZBQOSA-N 2 1 334.504 3.445 20 0 EGADMP Cc1cnccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001205850499 1370891701 /nfs/dbraw/zinc/89/17/01/1370891701.db2.gz KPLXSEJBFAFXJS-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP C[C@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC[C@@H]1C[NH3+] ZINC001205982556 1370929151 /nfs/dbraw/zinc/92/91/51/1370929151.db2.gz MHTRJWNWDFGGBP-GHTZIAJQSA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCCN2Cc2ccccc2)CCC[C@@H]1C[NH3+] ZINC001205983813 1370929515 /nfs/dbraw/zinc/92/95/15/1370929515.db2.gz PIOTUPKZFYUNBE-NRSPTQNISA-N 2 1 329.532 3.348 20 0 EGADMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1OC ZINC001205992528 1370932059 /nfs/dbraw/zinc/93/20/59/1370932059.db2.gz DZSIQZGMXLNCLN-STQMWFEESA-N 2 1 326.868 3.164 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CCC[C@@H]1C[NH3+] ZINC001206004147 1370935143 /nfs/dbraw/zinc/93/51/43/1370935143.db2.gz QSUVPYMAXAXRKN-MAUKXSAKSA-N 2 1 332.488 3.449 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CCC[C@H]1C[NH3+] ZINC001206004149 1370935795 /nfs/dbraw/zinc/93/57/95/1370935795.db2.gz QSUVPYMAXAXRKN-YJBOKZPZSA-N 2 1 332.488 3.449 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(F)c(F)c1Cl ZINC001206037514 1370945963 /nfs/dbraw/zinc/94/59/63/1370945963.db2.gz WAILOOXFTKLKKH-GHMZBOCLSA-N 2 1 332.822 3.434 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001206273829 1371010375 /nfs/dbraw/zinc/01/03/75/1371010375.db2.gz AHMSOLSGNKOGGP-GOSISDBHSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2cccc3cc(Br)cnc32)C1 ZINC001206284893 1371012077 /nfs/dbraw/zinc/01/20/77/1371012077.db2.gz ITPZXTBOWHBLIF-GFCCVEGCSA-N 2 1 334.261 3.039 20 0 EGADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2cccc3cc(Br)cnc32)C1 ZINC001206284893 1371012084 /nfs/dbraw/zinc/01/20/84/1371012084.db2.gz ITPZXTBOWHBLIF-GFCCVEGCSA-N 2 1 334.261 3.039 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(Cl)c1OC ZINC001206304247 1371015858 /nfs/dbraw/zinc/01/58/58/1371015858.db2.gz IFQYESJBCZUSCS-QGZVFWFLSA-N 2 1 326.868 3.308 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1OC(F)F ZINC001206304128 1371016040 /nfs/dbraw/zinc/01/60/40/1371016040.db2.gz GNIHLJXBPDWVAJ-KRWDZBQOSA-N 2 1 328.403 3.248 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2sc(N3CCCC3)nc2Cl)CC1 ZINC001206311027 1371017374 /nfs/dbraw/zinc/01/73/74/1371017374.db2.gz GKXDRWLKPLOIMQ-MRXNPFEDSA-N 2 1 342.940 3.348 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CC1 ZINC001206318252 1371020520 /nfs/dbraw/zinc/02/05/20/1371020520.db2.gz OKWFVMXEZNXYAU-SFHVURJKSA-N 2 1 334.414 3.306 20 0 EGADMP CC[N@H+]1CCCC[C@H]1c1ccc(-c2cnn(CC[NH+](C)C)c2)nc1 ZINC001206332222 1371026009 /nfs/dbraw/zinc/02/60/09/1371026009.db2.gz GGKFEIQQYUQRAK-IBGZPJMESA-N 2 1 327.476 3.054 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1C ZINC001117714881 1371067697 /nfs/dbraw/zinc/06/76/97/1371067697.db2.gz PGDFKDASJQOBSL-YZGWKJHDSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC001117714881 1371067702 /nfs/dbraw/zinc/06/77/02/1371067702.db2.gz PGDFKDASJQOBSL-YZGWKJHDSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC001117714881 1371067706 /nfs/dbraw/zinc/06/77/06/1371067706.db2.gz PGDFKDASJQOBSL-YZGWKJHDSA-N 2 1 343.515 3.030 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206488679 1371071296 /nfs/dbraw/zinc/07/12/96/1371071296.db2.gz WZLVSAKYZJDUEI-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP C[N@@H+](Cc1cccc2ccoc21)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001117790214 1371084763 /nfs/dbraw/zinc/08/47/63/1371084763.db2.gz VRXSFXGNEHVWTD-LJQANCHMSA-N 2 1 327.472 3.033 20 0 EGADMP C[C@@]1(C[NH3+])CCCC[N@H+](CCc2cccc(Br)c2)C1 ZINC001206541793 1371087907 /nfs/dbraw/zinc/08/79/07/1371087907.db2.gz KLNPYKFQHOFZMQ-INIZCTEOSA-N 2 1 325.294 3.443 20 0 EGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCc2cccc(Br)c2)C1 ZINC001206541793 1371087912 /nfs/dbraw/zinc/08/79/12/1371087912.db2.gz KLNPYKFQHOFZMQ-INIZCTEOSA-N 2 1 325.294 3.443 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCCc2ccc(Br)cc2)C1 ZINC001206606458 1371107381 /nfs/dbraw/zinc/10/73/81/1371107381.db2.gz NPRSIASWXWAZDF-HNNXBMFYSA-N 2 1 325.294 3.443 20 0 EGADMP CN(C)c1ccc(Br)cc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206641100 1371116507 /nfs/dbraw/zinc/11/65/07/1371116507.db2.gz SWHHFVVAQGNPMN-ZDUSSCGKSA-N 2 1 340.309 3.076 20 0 EGADMP CN(C)c1ccc(Br)cc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206641100 1371116510 /nfs/dbraw/zinc/11/65/10/1371116510.db2.gz SWHHFVVAQGNPMN-ZDUSSCGKSA-N 2 1 340.309 3.076 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)ccc1OC(F)(F)F ZINC001206649759 1371119646 /nfs/dbraw/zinc/11/96/46/1371119646.db2.gz YQJJARUCFUVXBS-CYBMUJFWSA-N 2 1 332.366 3.155 20 0 EGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc2ccc(Br)cc2[nH]1 ZINC001206772209 1371160377 /nfs/dbraw/zinc/16/03/77/1371160377.db2.gz ZFKSJLXBBUWCHK-VXGBXAGGSA-N 2 1 336.277 3.490 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206809632 1371176317 /nfs/dbraw/zinc/17/63/17/1371176317.db2.gz LZJVUDCCWOBEIR-JKSUJKDBSA-N 2 1 325.456 3.316 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(-c4ccc(F)cc4)on3)C2)CC1 ZINC001206836502 1371184474 /nfs/dbraw/zinc/18/44/74/1371184474.db2.gz OWBOFHWCZNDGKJ-UHFFFAOYSA-N 2 1 329.419 3.398 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CC=C(C)C)CC1 ZINC001206856777 1371191219 /nfs/dbraw/zinc/19/12/19/1371191219.db2.gz ANPNOKBYTSKODP-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001206890228 1371209946 /nfs/dbraw/zinc/20/99/46/1371209946.db2.gz HFKWXXSFRCDIJY-MRXNPFEDSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC001118759994 1371222523 /nfs/dbraw/zinc/22/25/23/1371222523.db2.gz WPVOLELNYWWNNV-LJQANCHMSA-N 2 1 340.471 3.061 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC001118759994 1371222528 /nfs/dbraw/zinc/22/25/28/1371222528.db2.gz WPVOLELNYWWNNV-LJQANCHMSA-N 2 1 340.471 3.061 20 0 EGADMP [NH3+][C@H](c1noc(-c2ccc(C[NH+]3CCCC3)cc2)n1)c1ccccc1 ZINC001326172716 1388122785 /nfs/dbraw/zinc/12/27/85/1388122785.db2.gz MNPPYRGVPQSTAI-SFHVURJKSA-N 2 1 334.423 3.381 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001206955285 1371244688 /nfs/dbraw/zinc/24/46/88/1371244688.db2.gz PEEJMAAHQZWCHC-KZNAEPCWSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001206955285 1371244691 /nfs/dbraw/zinc/24/46/91/1371244691.db2.gz PEEJMAAHQZWCHC-KZNAEPCWSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001206955285 1371244694 /nfs/dbraw/zinc/24/46/94/1371244694.db2.gz PEEJMAAHQZWCHC-KZNAEPCWSA-N 2 1 337.552 3.122 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001207006975 1371264786 /nfs/dbraw/zinc/26/47/86/1371264786.db2.gz DMMNKJBMUVZKRS-CNPAMDGFSA-N 2 1 346.519 3.189 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207006975 1371264788 /nfs/dbraw/zinc/26/47/88/1371264788.db2.gz DMMNKJBMUVZKRS-CNPAMDGFSA-N 2 1 346.519 3.189 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207006975 1371264793 /nfs/dbraw/zinc/26/47/93/1371264793.db2.gz DMMNKJBMUVZKRS-CNPAMDGFSA-N 2 1 346.519 3.189 20 0 EGADMP Fc1cncc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001207022614 1371270119 /nfs/dbraw/zinc/27/01/19/1371270119.db2.gz HZWKROCTJKQREK-UHFFFAOYSA-N 2 1 340.446 3.104 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3CN(Cc4[nH+]cc5ccccn54)C[C@H]3C2)cc1 ZINC001207051232 1371278032 /nfs/dbraw/zinc/27/80/32/1371278032.db2.gz YJTVUAJROKZLOC-WOJBJXKFSA-N 2 1 346.478 3.207 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cccc(=O)[nH]1)CC2 ZINC001207067388 1371285053 /nfs/dbraw/zinc/28/50/53/1371285053.db2.gz WSQFDHJXTHEXBM-GOSISDBHSA-N 2 1 341.455 3.257 20 0 EGADMP CC[N@H+](C)C1CC[NH+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001207245796 1371339878 /nfs/dbraw/zinc/33/98/78/1371339878.db2.gz HXQIXAYYGVEGEU-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP CC[N@@H+](C)C1CC[NH+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001207245796 1371339882 /nfs/dbraw/zinc/33/98/82/1371339882.db2.gz HXQIXAYYGVEGEU-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001207280345 1371349286 /nfs/dbraw/zinc/34/92/86/1371349286.db2.gz VRNPFJWGWVCNEA-IBGZPJMESA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001207280345 1371349293 /nfs/dbraw/zinc/34/92/93/1371349293.db2.gz VRNPFJWGWVCNEA-IBGZPJMESA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C)CC(C)(C)CN1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001207282527 1371349923 /nfs/dbraw/zinc/34/99/23/1371349923.db2.gz SMADYBSVYXMNBD-NRFANRHFSA-N 2 1 347.522 3.454 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001207282527 1371349930 /nfs/dbraw/zinc/34/99/30/1371349930.db2.gz SMADYBSVYXMNBD-NRFANRHFSA-N 2 1 347.522 3.454 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001207282527 1371349934 /nfs/dbraw/zinc/34/99/34/1371349934.db2.gz SMADYBSVYXMNBD-NRFANRHFSA-N 2 1 347.522 3.454 20 0 EGADMP C[C@]1(CO)CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207286087 1371350105 /nfs/dbraw/zinc/35/01/05/1371350105.db2.gz DWCGJPKNBPMIFB-NRFANRHFSA-N 2 1 330.516 3.383 20 0 EGADMP O=c1[nH]ccc2c1CC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207292852 1371353013 /nfs/dbraw/zinc/35/30/13/1371353013.db2.gz CERMEISPDDRGOK-UHFFFAOYSA-N 2 1 337.467 3.058 20 0 EGADMP CC(C)N(C)[C@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293447 1371353651 /nfs/dbraw/zinc/35/36/51/1371353651.db2.gz JLRSGKQOQYBMFT-NRFANRHFSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[N@H+](C)[C@H]1CCN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293447 1371353654 /nfs/dbraw/zinc/35/36/54/1371353654.db2.gz JLRSGKQOQYBMFT-NRFANRHFSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1CCN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293447 1371353660 /nfs/dbraw/zinc/35/36/60/1371353660.db2.gz JLRSGKQOQYBMFT-NRFANRHFSA-N 2 1 329.532 3.313 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001207435224 1371395740 /nfs/dbraw/zinc/39/57/40/1371395740.db2.gz KNTMNISGOGWXOQ-MISYRCLQSA-N 2 1 347.572 3.280 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001207435224 1371395742 /nfs/dbraw/zinc/39/57/42/1371395742.db2.gz KNTMNISGOGWXOQ-MISYRCLQSA-N 3 1 347.572 3.280 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001207435224 1371395744 /nfs/dbraw/zinc/39/57/44/1371395744.db2.gz KNTMNISGOGWXOQ-MISYRCLQSA-N 3 1 347.572 3.280 20 0 EGADMP CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001207435224 1371395749 /nfs/dbraw/zinc/39/57/49/1371395749.db2.gz KNTMNISGOGWXOQ-MISYRCLQSA-N 2 1 347.572 3.280 20 0 EGADMP CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001207435224 1371395750 /nfs/dbraw/zinc/39/57/50/1371395750.db2.gz KNTMNISGOGWXOQ-MISYRCLQSA-N 2 1 347.572 3.280 20 0 EGADMP COc1ccccc1CC[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001207453280 1371400055 /nfs/dbraw/zinc/40/00/55/1371400055.db2.gz FCLIZSXYKNEWCC-OAQYLSRUSA-N 2 1 346.515 3.061 20 0 EGADMP COc1ccccc1CC[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001207453280 1371400056 /nfs/dbraw/zinc/40/00/56/1371400056.db2.gz FCLIZSXYKNEWCC-OAQYLSRUSA-N 2 1 346.515 3.061 20 0 EGADMP COc1ccccc1CC[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001207453280 1371400057 /nfs/dbraw/zinc/40/00/57/1371400057.db2.gz FCLIZSXYKNEWCC-OAQYLSRUSA-N 2 1 346.515 3.061 20 0 EGADMP COc1ccccc1CC[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001207453280 1371400059 /nfs/dbraw/zinc/40/00/59/1371400059.db2.gz FCLIZSXYKNEWCC-OAQYLSRUSA-N 2 1 346.515 3.061 20 0 EGADMP COc1ccccc1O[C@@H]1CCC[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207485158 1371410882 /nfs/dbraw/zinc/41/08/82/1371410882.db2.gz SFUVVPZWMHSPLC-GOSISDBHSA-N 2 1 332.488 3.270 20 0 EGADMP COc1ccc(CCC[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)cc1 ZINC001207583917 1371442332 /nfs/dbraw/zinc/44/23/32/1371442332.db2.gz BLWPMAGAWWNACZ-UHFFFAOYSA-N 2 1 346.515 3.203 20 0 EGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCCc1cccc(F)c1)C2 ZINC001207601963 1371448192 /nfs/dbraw/zinc/44/81/92/1371448192.db2.gz NWKPDYZTSRRFTN-UHFFFAOYSA-N 2 1 344.478 3.311 20 0 EGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCCc1cccc(F)c1)C2 ZINC001207601963 1371448196 /nfs/dbraw/zinc/44/81/96/1371448196.db2.gz NWKPDYZTSRRFTN-UHFFFAOYSA-N 2 1 344.478 3.311 20 0 EGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCCc1cccc(F)c1)C2 ZINC001207601963 1371448201 /nfs/dbraw/zinc/44/82/01/1371448201.db2.gz NWKPDYZTSRRFTN-UHFFFAOYSA-N 2 1 344.478 3.311 20 0 EGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCCc1cccc(F)c1)C2 ZINC001207601963 1371448204 /nfs/dbraw/zinc/44/82/04/1371448204.db2.gz NWKPDYZTSRRFTN-UHFFFAOYSA-N 2 1 344.478 3.311 20 0 EGADMP Fc1cccc(CCC[N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)c1 ZINC001207602665 1371449398 /nfs/dbraw/zinc/44/93/98/1371449398.db2.gz UALALYCNISNXGX-KDURUIRLSA-N 2 1 339.458 3.217 20 0 EGADMP CCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC001120031665 1371462933 /nfs/dbraw/zinc/46/29/33/1371462933.db2.gz SBXKPBZSJYEUST-JXFKEZNVSA-N 2 1 326.488 3.212 20 0 EGADMP CCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC001120031665 1371462934 /nfs/dbraw/zinc/46/29/34/1371462934.db2.gz SBXKPBZSJYEUST-JXFKEZNVSA-N 2 1 326.488 3.212 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120401027 1371562168 /nfs/dbraw/zinc/56/21/68/1371562168.db2.gz GEGHVNYPRQTTFB-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001120401027 1371562174 /nfs/dbraw/zinc/56/21/74/1371562174.db2.gz GEGHVNYPRQTTFB-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001120401027 1371562178 /nfs/dbraw/zinc/56/21/78/1371562178.db2.gz GEGHVNYPRQTTFB-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001120403637 1371563404 /nfs/dbraw/zinc/56/34/04/1371563404.db2.gz ZWAHHAROTFNWIZ-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001120403637 1371563409 /nfs/dbraw/zinc/56/34/09/1371563409.db2.gz ZWAHHAROTFNWIZ-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001120403637 1371563414 /nfs/dbraw/zinc/56/34/14/1371563414.db2.gz ZWAHHAROTFNWIZ-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001208013893 1371568247 /nfs/dbraw/zinc/56/82/47/1371568247.db2.gz KWLBSNOMJFGVCL-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014993 1371569240 /nfs/dbraw/zinc/56/92/40/1371569240.db2.gz VRBMJXRQLTWSTH-LXORQPIJSA-N 2 1 335.536 3.186 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001120421771 1371569563 /nfs/dbraw/zinc/56/95/63/1371569563.db2.gz CXBPEMORNBGGJY-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120438867 1371577042 /nfs/dbraw/zinc/57/70/42/1371577042.db2.gz CPSFIVROQHXZBF-SLVIYJBESA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120438867 1371577044 /nfs/dbraw/zinc/57/70/44/1371577044.db2.gz CPSFIVROQHXZBF-SLVIYJBESA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001120438867 1371577048 /nfs/dbraw/zinc/57/70/48/1371577048.db2.gz CPSFIVROQHXZBF-SLVIYJBESA-N 2 1 349.563 3.388 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120450188 1371580940 /nfs/dbraw/zinc/58/09/40/1371580940.db2.gz SZPDPKJOLBWOOF-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001120450188 1371580945 /nfs/dbraw/zinc/58/09/45/1371580945.db2.gz SZPDPKJOLBWOOF-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001120450188 1371580949 /nfs/dbraw/zinc/58/09/49/1371580949.db2.gz SZPDPKJOLBWOOF-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208112845 1371598839 /nfs/dbraw/zinc/59/88/39/1371598839.db2.gz ZVLRIXVXXPWNDH-HZPDHXFCSA-N 2 1 339.524 3.096 20 0 EGADMP CC/C=C\CCC[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001208136155 1371606292 /nfs/dbraw/zinc/60/62/92/1371606292.db2.gz RWWPLKVPSJBSTO-SREVYHEPSA-N 2 1 346.519 3.036 20 0 EGADMP CC/C=C\CCC[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001208136155 1371606295 /nfs/dbraw/zinc/60/62/95/1371606295.db2.gz RWWPLKVPSJBSTO-SREVYHEPSA-N 2 1 346.519 3.036 20 0 EGADMP CC/C=C\CCC[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001208136155 1371606298 /nfs/dbraw/zinc/60/62/98/1371606298.db2.gz RWWPLKVPSJBSTO-SREVYHEPSA-N 2 1 346.519 3.036 20 0 EGADMP C[C@H]1C[N@@H+](CC2(C[NH+](C)C)CCCC2)CCC[C@@]1(O)C(F)(F)F ZINC001208185225 1371625899 /nfs/dbraw/zinc/62/58/99/1371625899.db2.gz XQABHMMBPPLNRJ-HOCLYGCPSA-N 2 1 336.442 3.134 20 0 EGADMP CCCc1noc([C@@H]2CCC[N@@H+](CC3(C[NH+](C)C)CCCC3)C2)n1 ZINC001208186810 1371627453 /nfs/dbraw/zinc/62/74/53/1371627453.db2.gz YYRUQCLJPIEZEW-MRXNPFEDSA-N 2 1 334.508 3.324 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208189640 1371628476 /nfs/dbraw/zinc/62/84/76/1371628476.db2.gz WYJHUBQOYJIUPJ-CVEARBPZSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208189640 1371628498 /nfs/dbraw/zinc/62/84/98/1371628498.db2.gz WYJHUBQOYJIUPJ-CVEARBPZSA-N 2 1 339.524 3.096 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208279357 1371696722 /nfs/dbraw/zinc/69/67/22/1371696722.db2.gz ODXPHYGHKQMDAS-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001208447154 1371769938 /nfs/dbraw/zinc/76/99/38/1371769938.db2.gz IXVREEVAFWLGGB-FUHWJXTLSA-N 2 1 331.504 3.059 20 0 EGADMP CCC[N@@H+]1C[C@H]2CN(C[C@@H]3CCCC[NH+]3Cc3ccccc3)C[C@H]2C1 ZINC001208592933 1371832981 /nfs/dbraw/zinc/83/29/81/1371832981.db2.gz ZLJPSEHADYRBPZ-BDTNDASRSA-N 2 1 341.543 3.315 20 0 EGADMP CCC[NH+]1C[C@H]2CN(C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C[C@H]2C1 ZINC001208592933 1371832987 /nfs/dbraw/zinc/83/29/87/1371832987.db2.gz ZLJPSEHADYRBPZ-BDTNDASRSA-N 2 1 341.543 3.315 20 0 EGADMP CCC[NH+]1C[C@H]2CN(C[C@@H]3CCCC[N@H+]3Cc3ccccc3)C[C@H]2C1 ZINC001208592933 1371832999 /nfs/dbraw/zinc/83/29/99/1371832999.db2.gz ZLJPSEHADYRBPZ-BDTNDASRSA-N 2 1 341.543 3.315 20 0 EGADMP CC[N@H+]1CCN(C[C@H]2CCCC[NH+]2Cc2ccccc2)C(C)(C)C1 ZINC001208595442 1371833922 /nfs/dbraw/zinc/83/39/22/1371833922.db2.gz SVYKNZBDYKWNAX-HXUWFJFHSA-N 2 1 329.532 3.457 20 0 EGADMP CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C(C)(C)C1 ZINC001208595442 1371833924 /nfs/dbraw/zinc/83/39/24/1371833924.db2.gz SVYKNZBDYKWNAX-HXUWFJFHSA-N 2 1 329.532 3.457 20 0 EGADMP CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C(C)(C)C1 ZINC001208595442 1371833929 /nfs/dbraw/zinc/83/39/29/1371833929.db2.gz SVYKNZBDYKWNAX-HXUWFJFHSA-N 2 1 329.532 3.457 20 0 EGADMP CC(C)[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208614714 1371841507 /nfs/dbraw/zinc/84/15/07/1371841507.db2.gz FLIYNNXOKYCIGD-IRXDYDNUSA-N 2 1 339.524 3.048 20 0 EGADMP CC(C)[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208614714 1371841508 /nfs/dbraw/zinc/84/15/08/1371841508.db2.gz FLIYNNXOKYCIGD-IRXDYDNUSA-N 2 1 339.524 3.048 20 0 EGADMP CC(C)[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208614714 1371841511 /nfs/dbraw/zinc/84/15/11/1371841511.db2.gz FLIYNNXOKYCIGD-IRXDYDNUSA-N 2 1 339.524 3.048 20 0 EGADMP CC(C)[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208614714 1371841512 /nfs/dbraw/zinc/84/15/12/1371841512.db2.gz FLIYNNXOKYCIGD-IRXDYDNUSA-N 2 1 339.524 3.048 20 0 EGADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001208617300 1371843418 /nfs/dbraw/zinc/84/34/18/1371843418.db2.gz MXBJZGWVRGDUJJ-ULQDDVLXSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001208617300 1371843423 /nfs/dbraw/zinc/84/34/23/1371843423.db2.gz MXBJZGWVRGDUJJ-ULQDDVLXSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001208617300 1371843426 /nfs/dbraw/zinc/84/34/26/1371843426.db2.gz MXBJZGWVRGDUJJ-ULQDDVLXSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001208617300 1371843433 /nfs/dbraw/zinc/84/34/33/1371843433.db2.gz MXBJZGWVRGDUJJ-ULQDDVLXSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@H+]1CCC[C@H](CN2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619079 1371845190 /nfs/dbraw/zinc/84/51/90/1371845190.db2.gz VDIBZKDGPQZATG-FCHUYYIVSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC[C@H](CN2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208619079 1371845194 /nfs/dbraw/zinc/84/51/94/1371845194.db2.gz VDIBZKDGPQZATG-FCHUYYIVSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC[C@H](CN2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208619079 1371845198 /nfs/dbraw/zinc/84/51/98/1371845198.db2.gz VDIBZKDGPQZATG-FCHUYYIVSA-N 2 1 341.543 3.316 20 0 EGADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001208629882 1371847075 /nfs/dbraw/zinc/84/70/75/1371847075.db2.gz XMEZLAOKTJUEFY-UAPYVXQJSA-N 2 1 348.531 3.306 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1CC2(C1)CC([NH2+]CC(C)C)C2 ZINC001121133595 1371862330 /nfs/dbraw/zinc/86/23/30/1371862330.db2.gz DSBNNITWQYOYLF-AKJOHPPZSA-N 2 1 346.519 3.070 20 0 EGADMP C[C@@H](C[N@@H+](C)CCN1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC001208709453 1371871234 /nfs/dbraw/zinc/87/12/34/1371871234.db2.gz MBSKUGXRCNLLQL-SFHVURJKSA-N 2 1 325.500 3.123 20 0 EGADMP CC[C@H](C)C[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208759189 1371885830 /nfs/dbraw/zinc/88/58/30/1371885830.db2.gz RONAJHQWPRYCCU-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001121260861 1371912353 /nfs/dbraw/zinc/91/23/53/1371912353.db2.gz KNHHRXQQUYTAMD-DRVBKLLFSA-N 2 1 347.547 3.234 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CCC=CO3)C[C@@H]21 ZINC001208879286 1371929607 /nfs/dbraw/zinc/92/96/07/1371929607.db2.gz BJFZPWZXNIQIKK-AYWYSENESA-N 2 1 341.499 3.307 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CCC=CO3)C[C@@H]21 ZINC001208879286 1371929611 /nfs/dbraw/zinc/92/96/11/1371929611.db2.gz BJFZPWZXNIQIKK-AYWYSENESA-N 2 1 341.499 3.307 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCC=CO3)C[C@@H]21 ZINC001208879286 1371929614 /nfs/dbraw/zinc/92/96/14/1371929614.db2.gz BJFZPWZXNIQIKK-AYWYSENESA-N 2 1 341.499 3.307 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCC=CO3)C[C@@H]21 ZINC001208879286 1371929616 /nfs/dbraw/zinc/92/96/16/1371929616.db2.gz BJFZPWZXNIQIKK-AYWYSENESA-N 2 1 341.499 3.307 20 0 EGADMP C[NH+](C)CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208931537 1371950224 /nfs/dbraw/zinc/95/02/24/1371950224.db2.gz ABESVQPAUCXJJQ-NRFANRHFSA-N 3 1 329.532 3.172 20 0 EGADMP C[NH+](C)CC1CC[NH+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208931537 1371950228 /nfs/dbraw/zinc/95/02/28/1371950228.db2.gz ABESVQPAUCXJJQ-NRFANRHFSA-N 2 1 329.532 3.172 20 0 EGADMP CN(CCC[NH+]1CCCC1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208931984 1371950867 /nfs/dbraw/zinc/95/08/67/1371950867.db2.gz DYCPUMRSLYZWDR-NRFANRHFSA-N 2 1 329.532 3.316 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C4CCCC4)CC3)C2)cc1 ZINC001208935019 1371952020 /nfs/dbraw/zinc/95/20/20/1371952020.db2.gz HOLRPKXBLMMGDQ-NRFANRHFSA-N 2 1 341.543 3.459 20 0 EGADMP CC[N@H+](CCCC(=O)OC)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208934307 1371952432 /nfs/dbraw/zinc/95/24/32/1371952432.db2.gz ZGASZIYCBDFOBL-IBGZPJMESA-N 2 1 332.488 3.174 20 0 EGADMP CC[N@@H+](CCCC(=O)OC)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208934307 1371952437 /nfs/dbraw/zinc/95/24/37/1371952437.db2.gz ZGASZIYCBDFOBL-IBGZPJMESA-N 2 1 332.488 3.174 20 0 EGADMP CC[NH+](CCCC(=O)OC)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208934307 1371952438 /nfs/dbraw/zinc/95/24/38/1371952438.db2.gz ZGASZIYCBDFOBL-IBGZPJMESA-N 2 1 332.488 3.174 20 0 EGADMP CC[NH+](CCCC(=O)OC)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208934307 1371952440 /nfs/dbraw/zinc/95/24/40/1371952440.db2.gz ZGASZIYCBDFOBL-IBGZPJMESA-N 2 1 332.488 3.174 20 0 EGADMP COC(=O)[C@@H]1C[C@H](C)C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939796 1371953256 /nfs/dbraw/zinc/95/32/56/1371953256.db2.gz JFEOHIWDQJHCGA-DFQSSKMNSA-N 2 1 344.499 3.030 20 0 EGADMP COC(=O)[C@@H]1C[C@H](C)C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208939796 1371953260 /nfs/dbraw/zinc/95/32/60/1371953260.db2.gz JFEOHIWDQJHCGA-DFQSSKMNSA-N 2 1 344.499 3.030 20 0 EGADMP COC(=O)[C@@H]1C[C@H](C)C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939796 1371953271 /nfs/dbraw/zinc/95/32/71/1371953271.db2.gz JFEOHIWDQJHCGA-DFQSSKMNSA-N 2 1 344.499 3.030 20 0 EGADMP c1cnn(C2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208940184 1371955275 /nfs/dbraw/zinc/95/52/75/1371955275.db2.gz QBDVUYMWJGDERD-FQEVSTJZSA-N 2 1 338.499 3.432 20 0 EGADMP C[N@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC2(C1)OCCO2 ZINC001208945023 1371958661 /nfs/dbraw/zinc/95/86/61/1371958661.db2.gz QVVZFFMDKVKKHC-UXHICEINSA-N 2 1 344.499 3.126 20 0 EGADMP C[N@@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC2(C1)OCCO2 ZINC001208945023 1371958663 /nfs/dbraw/zinc/95/86/63/1371958663.db2.gz QVVZFFMDKVKKHC-UXHICEINSA-N 2 1 344.499 3.126 20 0 EGADMP C[NH+](C[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC2(C1)OCCO2 ZINC001208945023 1371958675 /nfs/dbraw/zinc/95/86/75/1371958675.db2.gz QVVZFFMDKVKKHC-UXHICEINSA-N 2 1 344.499 3.126 20 0 EGADMP C[NH+](C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC2(C1)OCCO2 ZINC001208945023 1371958687 /nfs/dbraw/zinc/95/86/87/1371958687.db2.gz QVVZFFMDKVKKHC-UXHICEINSA-N 2 1 344.499 3.126 20 0 EGADMP COC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208947447 1371959468 /nfs/dbraw/zinc/95/94/68/1371959468.db2.gz KDUMEUZMVJIZKT-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208947447 1371959470 /nfs/dbraw/zinc/95/94/70/1371959470.db2.gz KDUMEUZMVJIZKT-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)[C@@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208947447 1371959473 /nfs/dbraw/zinc/95/94/73/1371959473.db2.gz KDUMEUZMVJIZKT-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP C[NH+](C)C1CC[NH+](CC[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001209164760 1372020906 /nfs/dbraw/zinc/02/09/06/1372020906.db2.gz IRGDPVVYFBLTNO-KRWDZBQOSA-N 2 1 339.524 3.192 20 0 EGADMP COCCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209218709 1372041765 /nfs/dbraw/zinc/04/17/65/1372041765.db2.gz XHGXRJSCEJKIMV-IHPCNDPISA-N 2 1 331.504 3.041 20 0 EGADMP COCCCC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209218709 1372041766 /nfs/dbraw/zinc/04/17/66/1372041766.db2.gz XHGXRJSCEJKIMV-IHPCNDPISA-N 2 1 331.504 3.041 20 0 EGADMP COCCCC[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209218709 1372041768 /nfs/dbraw/zinc/04/17/68/1372041768.db2.gz XHGXRJSCEJKIMV-IHPCNDPISA-N 2 1 331.504 3.041 20 0 EGADMP COCCCC[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209218709 1372041771 /nfs/dbraw/zinc/04/17/71/1372041771.db2.gz XHGXRJSCEJKIMV-IHPCNDPISA-N 2 1 331.504 3.041 20 0 EGADMP CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209222565 1372042560 /nfs/dbraw/zinc/04/25/60/1372042560.db2.gz JWUBTSBODZKQIG-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP CC[NH+](CC)C1CC[NH+](CCCCCNC(=O)OC(C)(C)C)CC1 ZINC001209374119 1372081559 /nfs/dbraw/zinc/08/15/59/1372081559.db2.gz XMLSRRQOLMJPPL-UHFFFAOYSA-N 2 1 341.540 3.488 20 0 EGADMP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001121861420 1372106451 /nfs/dbraw/zinc/10/64/51/1372106451.db2.gz WAUDHVQVGNWJKZ-FCOWATRHSA-N 2 1 347.547 3.233 20 0 EGADMP c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CCC[NH+]2CCCCC2)c1 ZINC001209450117 1372108813 /nfs/dbraw/zinc/10/88/13/1372108813.db2.gz JIKJDNRAHAPVCB-HDICACEKSA-N 2 1 333.545 3.273 20 0 EGADMP CC1(C)[N@@H+](CCC[NH+]2CCCCC2)CC[C@]12c1ccccc1OC2=O ZINC001209453116 1372110100 /nfs/dbraw/zinc/11/01/00/1372110100.db2.gz YRBPPQKPSZGYRX-OAQYLSRUSA-N 2 1 342.483 3.204 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC(C)C)C2 ZINC001121918990 1372122831 /nfs/dbraw/zinc/12/28/31/1372122831.db2.gz LWVDQJBTJVMPIN-UHFFFAOYSA-N 2 1 337.552 3.172 20 0 EGADMP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccon2)CC3)c1 ZINC001209563757 1372137612 /nfs/dbraw/zinc/13/76/12/1372137612.db2.gz MIZAABMPRXYVNZ-UHFFFAOYSA-N 2 1 341.455 3.171 20 0 EGADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccon2)CC3)c1 ZINC001209563757 1372137617 /nfs/dbraw/zinc/13/76/17/1372137617.db2.gz MIZAABMPRXYVNZ-UHFFFAOYSA-N 2 1 341.455 3.171 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC1CCCCCC1)C2 ZINC001122022202 1372154905 /nfs/dbraw/zinc/15/49/05/1372154905.db2.gz FYPREDAHLLKCFM-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(N3CCCC3)nc2)CC1 ZINC001209627526 1372155000 /nfs/dbraw/zinc/15/50/00/1372155000.db2.gz WVLPIFFMGROXHQ-UHFFFAOYSA-N 2 1 330.520 3.378 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(N3CCCC3)nc2)CC1 ZINC001209627526 1372155001 /nfs/dbraw/zinc/15/50/01/1372155001.db2.gz WVLPIFFMGROXHQ-UHFFFAOYSA-N 2 1 330.520 3.378 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CCC[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001209660647 1372163956 /nfs/dbraw/zinc/16/39/56/1372163956.db2.gz RLFJZDVBXFDPIP-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)CC(C)(C)C ZINC001209691915 1372171690 /nfs/dbraw/zinc/17/16/90/1372171690.db2.gz ZTOJVWMDANDGKA-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001209951488 1372240266 /nfs/dbraw/zinc/24/02/66/1372240266.db2.gz LNAMVVLFLHZEFK-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001210134212 1372278156 /nfs/dbraw/zinc/27/81/56/1372278156.db2.gz VUGJMNLWMOQWRF-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001210788675 1372426558 /nfs/dbraw/zinc/42/65/58/1372426558.db2.gz HNWCAMOBDXHILS-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001210811091 1372430649 /nfs/dbraw/zinc/43/06/49/1372430649.db2.gz ITZNCUWIVLYMMS-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094598 1372484639 /nfs/dbraw/zinc/48/46/39/1372484639.db2.gz ICJZLJAOFZIUOA-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001211256573 1372513413 /nfs/dbraw/zinc/51/34/13/1372513413.db2.gz JFFSVPSIZSFZFQ-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211269987 1372517279 /nfs/dbraw/zinc/51/72/79/1372517279.db2.gz WWTDVRGWZUZUEG-WOJBJXKFSA-N 2 1 345.531 3.306 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+]2C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001211371791 1372542569 /nfs/dbraw/zinc/54/25/69/1372542569.db2.gz WRTUMPFIVKWEBQ-QWFCFKBJSA-N 2 1 345.531 3.141 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C2)c1 ZINC001211371791 1372542575 /nfs/dbraw/zinc/54/25/75/1372542575.db2.gz WRTUMPFIVKWEBQ-QWFCFKBJSA-N 2 1 345.531 3.141 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C2)c1 ZINC001211371791 1372542579 /nfs/dbraw/zinc/54/25/79/1372542579.db2.gz WRTUMPFIVKWEBQ-QWFCFKBJSA-N 2 1 345.531 3.141 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211374917 1372544114 /nfs/dbraw/zinc/54/41/14/1372544114.db2.gz SUERNWKSEGIJGO-MISYRCLQSA-N 2 1 347.547 3.044 20 0 EGADMP C[NH2+][C@H](C)CCN[C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC001326473793 1388206167 /nfs/dbraw/zinc/20/61/67/1388206167.db2.gz OAKGGFGOJSDNHR-IAGOWNOFSA-N 2 1 333.520 3.330 20 0 EGADMP C[NH2+][C@H](C)CCN[C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC001326473795 1388207278 /nfs/dbraw/zinc/20/72/78/1388207278.db2.gz OAKGGFGOJSDNHR-SJORKVTESA-N 2 1 333.520 3.330 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001127066262 1373078804 /nfs/dbraw/zinc/07/88/04/1373078804.db2.gz KLQCBNNKNOKMIK-LJQANCHMSA-N 2 1 345.531 3.063 20 0 EGADMP CCCCCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001214661751 1373098776 /nfs/dbraw/zinc/09/87/76/1373098776.db2.gz BSIKJPHAPZIYOM-KZNAEPCWSA-N 2 1 348.535 3.413 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+][C@@H](C)c1ccccc1F ZINC001127680142 1373158980 /nfs/dbraw/zinc/15/89/80/1373158980.db2.gz SMZUUGCFGYRSOP-CABCVRRESA-N 2 1 346.450 3.003 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001216226304 1373285676 /nfs/dbraw/zinc/28/56/76/1373285676.db2.gz RSWXCHVTCQOKQI-WSTZPKSXSA-N 2 1 345.531 3.143 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001128774584 1373310483 /nfs/dbraw/zinc/31/04/83/1373310483.db2.gz UPFHVNCEFZNDPZ-IBGZPJMESA-N 2 1 345.531 3.064 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001216845123 1373349865 /nfs/dbraw/zinc/34/98/65/1373349865.db2.gz YBCIGPDGNDOURS-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)c1ccc2ccccc2c1 ZINC001129535415 1373394719 /nfs/dbraw/zinc/39/47/19/1373394719.db2.gz QBTAUANRODMXDQ-MRXNPFEDSA-N 2 1 339.483 3.091 20 0 EGADMP O=C(NCC[NH2+]CCC1CCCCCC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130190411 1373471891 /nfs/dbraw/zinc/47/18/91/1373471891.db2.gz YRDCJTUATIQWAD-RBUKOAKNSA-N 2 1 335.536 3.070 20 0 EGADMP [NH3+]Cc1ccccc1CO[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001217911241 1373511140 /nfs/dbraw/zinc/51/11/40/1373511140.db2.gz NOAKQXZNRMXSOK-LJQANCHMSA-N 2 1 328.431 3.466 20 0 EGADMP C[C@@H]1CC[C@@H](OC[C@]2(C)C[N@@H+](Cc3ccccc3)CC(C)(C)O2)C[NH2+]1 ZINC001217910247 1373511491 /nfs/dbraw/zinc/51/14/91/1373511491.db2.gz IDNDKJTUPSQJLZ-QFUCXCTJSA-N 2 1 346.515 3.213 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](OCCC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC001217928834 1373512964 /nfs/dbraw/zinc/51/29/64/1373512964.db2.gz HTTPGFMMHBOTRC-PCCBWWKXSA-N 2 1 328.500 3.303 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@@H]1OC[C@]1(C)C[N@@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217939518 1373514946 /nfs/dbraw/zinc/51/49/46/1373514946.db2.gz PWVHSGAMGDHDTF-LMNJBCLMSA-N 2 1 346.515 3.071 20 0 EGADMP C[C@@H]1C[C@@H](Oc2ccc3c(n2)C[N@@H+](Cc2ccccc2)CC3)CC[NH2+]1 ZINC001218057447 1373549661 /nfs/dbraw/zinc/54/96/61/1373549661.db2.gz RQEWRPUKVAGZBX-APWZRJJASA-N 2 1 337.467 3.159 20 0 EGADMP C[C@@H]1C[C@@H](Oc2ccc3c(n2)C[N@H+](Cc2ccccc2)CC3)CC[NH2+]1 ZINC001218057447 1373549664 /nfs/dbraw/zinc/54/96/64/1373549664.db2.gz RQEWRPUKVAGZBX-APWZRJJASA-N 2 1 337.467 3.159 20 0 EGADMP CC[C@]1(c2cccc(O[C@H]3CC[NH2+]CC(=O)C3)c2)CCCC[N@H+](C)C1 ZINC001218196412 1373576757 /nfs/dbraw/zinc/57/67/57/1373576757.db2.gz YFLSFXLTMULBJN-SFTDATJTSA-N 2 1 344.499 3.150 20 0 EGADMP CC[C@]1(c2cccc(O[C@H]3CC[NH2+]CC(=O)C3)c2)CCCC[N@@H+](C)C1 ZINC001218196412 1373576760 /nfs/dbraw/zinc/57/67/60/1373576760.db2.gz YFLSFXLTMULBJN-SFTDATJTSA-N 2 1 344.499 3.150 20 0 EGADMP C[C@H]1CC[C@H](Oc2ccc3c(n2)C[N@@H+](Cc2ccccc2)CC3)C[NH2+]1 ZINC001218407290 1373609830 /nfs/dbraw/zinc/60/98/30/1373609830.db2.gz OYGXJNPHZYHJCC-LPHOPBHVSA-N 2 1 337.467 3.159 20 0 EGADMP C[C@H]1CC[C@H](Oc2ccc3c(n2)C[N@H+](Cc2ccccc2)CC3)C[NH2+]1 ZINC001218407290 1373609836 /nfs/dbraw/zinc/60/98/36/1373609836.db2.gz OYGXJNPHZYHJCC-LPHOPBHVSA-N 2 1 337.467 3.159 20 0 EGADMP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001218848581 1373660100 /nfs/dbraw/zinc/66/01/00/1373660100.db2.gz OHOFRUHLMIEUKG-FQEVSTJZSA-N 2 1 337.467 3.372 20 0 EGADMP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001218848581 1373660106 /nfs/dbraw/zinc/66/01/06/1373660106.db2.gz OHOFRUHLMIEUKG-FQEVSTJZSA-N 2 1 337.467 3.372 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C)cc1C ZINC001326760166 1388301580 /nfs/dbraw/zinc/30/15/80/1388301580.db2.gz HHYLSIBDHJZHTN-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001224796185 1375077460 /nfs/dbraw/zinc/07/74/60/1375077460.db2.gz NKTDSCYEODAOIR-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP COCC[NH+]1CCC(OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001224825506 1375079415 /nfs/dbraw/zinc/07/94/15/1375079415.db2.gz KRVGUAKDXKWLKB-FQEVSTJZSA-N 2 1 346.515 3.026 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@H](NC(=O)C[NH+](C)C3CCC3)CC[C@H]2C)cs1 ZINC001132106188 1375151190 /nfs/dbraw/zinc/15/11/90/1375151190.db2.gz QXRHBOSYNZDJIQ-RHSMWYFYSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2C[C@H](NC(=O)C[N@H+](C)C3CCC3)CC[C@H]2C)cs1 ZINC001132106188 1375151192 /nfs/dbraw/zinc/15/11/92/1375151192.db2.gz QXRHBOSYNZDJIQ-RHSMWYFYSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2C[C@H](NC(=O)C[N@@H+](C)C3CCC3)CC[C@H]2C)cs1 ZINC001132106188 1375151193 /nfs/dbraw/zinc/15/11/93/1375151193.db2.gz QXRHBOSYNZDJIQ-RHSMWYFYSA-N 2 1 349.544 3.010 20 0 EGADMP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(F)cc2)C1 ZINC001132152374 1375171865 /nfs/dbraw/zinc/17/18/65/1375171865.db2.gz AYLWZTZRYKJYHG-QAPCUYQASA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(F)cc2)C1 ZINC001132152374 1375171868 /nfs/dbraw/zinc/17/18/68/1375171868.db2.gz AYLWZTZRYKJYHG-QAPCUYQASA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cc2)C1 ZINC001132152374 1375171872 /nfs/dbraw/zinc/17/18/72/1375171872.db2.gz AYLWZTZRYKJYHG-QAPCUYQASA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)cc2)C1 ZINC001132152374 1375171877 /nfs/dbraw/zinc/17/18/77/1375171877.db2.gz AYLWZTZRYKJYHG-QAPCUYQASA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](CCC2CCCC2)C1 ZINC001132153152 1375172820 /nfs/dbraw/zinc/17/28/20/1375172820.db2.gz NTASNLJIDYLYSC-AEFFLSMTSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2CCCC2)C1 ZINC001132153152 1375172824 /nfs/dbraw/zinc/17/28/24/1375172824.db2.gz NTASNLJIDYLYSC-AEFFLSMTSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC2CCCC2)C1 ZINC001132153152 1375172826 /nfs/dbraw/zinc/17/28/26/1375172826.db2.gz NTASNLJIDYLYSC-AEFFLSMTSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132202190 1375206114 /nfs/dbraw/zinc/20/61/14/1375206114.db2.gz DPLQCUXBAHUQPH-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1 ZINC001226334223 1375242044 /nfs/dbraw/zinc/24/20/44/1375242044.db2.gz QPOPTBINXPOPCV-KBAYOESNSA-N 2 1 346.519 3.214 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CC1CCCCCC1 ZINC001132265564 1375254857 /nfs/dbraw/zinc/25/48/57/1375254857.db2.gz OQEQYFJAVMHTDK-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC001132310267 1375288985 /nfs/dbraw/zinc/28/89/85/1375288985.db2.gz JYRQRKPEKPFVCD-PKOBYXMFSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[NH+]1Cc1ccccc1 ZINC001132310267 1375288994 /nfs/dbraw/zinc/28/89/94/1375288994.db2.gz JYRQRKPEKPFVCD-PKOBYXMFSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[NH+]1Cc1ccccc1 ZINC001132310267 1375288996 /nfs/dbraw/zinc/28/89/96/1375288996.db2.gz JYRQRKPEKPFVCD-PKOBYXMFSA-N 2 1 345.531 3.134 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132365656 1375329661 /nfs/dbraw/zinc/32/96/61/1375329661.db2.gz NMGGPVLHXNWPQZ-QFBILLFUSA-N 2 1 348.535 3.377 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132365656 1375329667 /nfs/dbraw/zinc/32/96/67/1375329667.db2.gz NMGGPVLHXNWPQZ-QFBILLFUSA-N 2 1 348.535 3.377 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CCC2)C1 ZINC001132366144 1375330111 /nfs/dbraw/zinc/33/01/11/1375330111.db2.gz XDSPJQZVEHDFDL-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCC2)C1 ZINC001132366144 1375330118 /nfs/dbraw/zinc/33/01/18/1375330118.db2.gz XDSPJQZVEHDFDL-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CCC2)C1 ZINC001132366144 1375330121 /nfs/dbraw/zinc/33/01/21/1375330121.db2.gz XDSPJQZVEHDFDL-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001226892002 1375354087 /nfs/dbraw/zinc/35/40/87/1375354087.db2.gz XQWMOYWWFQNGHH-GUDVDZBRSA-N 2 1 337.552 3.314 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C ZINC001226891196 1375354227 /nfs/dbraw/zinc/35/42/27/1375354227.db2.gz RQJFAEAZSCVDAW-RCCFBDPRSA-N 2 1 337.552 3.314 20 0 EGADMP CCc1ccc(C[NH+]2C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@H]2C)cc1 ZINC001132409837 1375358310 /nfs/dbraw/zinc/35/83/10/1375358310.db2.gz FTBPCQNJYKFRKH-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[N@@H+]2C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]2C)cc1 ZINC001132409837 1375358314 /nfs/dbraw/zinc/35/83/14/1375358314.db2.gz FTBPCQNJYKFRKH-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[N@H+]2C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]2C)cc1 ZINC001132409837 1375358318 /nfs/dbraw/zinc/35/83/18/1375358318.db2.gz FTBPCQNJYKFRKH-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132409850 1375358501 /nfs/dbraw/zinc/35/85/01/1375358501.db2.gz FVQKVDJSXUJCKE-HKUYNNGSSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001132409850 1375358517 /nfs/dbraw/zinc/35/85/17/1375358517.db2.gz FVQKVDJSXUJCKE-HKUYNNGSSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001132409850 1375358525 /nfs/dbraw/zinc/35/85/25/1375358525.db2.gz FVQKVDJSXUJCKE-HKUYNNGSSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2c(C)cccc2C)C1 ZINC001132410704 1375359550 /nfs/dbraw/zinc/35/95/50/1375359550.db2.gz NADOOFHAKUFQJX-MOPGFXCFSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2c(C)cccc2C)C1 ZINC001132410704 1375359557 /nfs/dbraw/zinc/35/95/57/1375359557.db2.gz NADOOFHAKUFQJX-MOPGFXCFSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2c(C)cccc2C)C1 ZINC001132410704 1375359561 /nfs/dbraw/zinc/35/95/61/1375359561.db2.gz NADOOFHAKUFQJX-MOPGFXCFSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CC1CCCCC1 ZINC001132517310 1375435554 /nfs/dbraw/zinc/43/55/54/1375435554.db2.gz AUGFWGXEEZUZAW-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC001132519265 1375437073 /nfs/dbraw/zinc/43/70/73/1375437073.db2.gz VUPQMNVRKPBAOP-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132518671 1375437082 /nfs/dbraw/zinc/43/70/82/1375437082.db2.gz MNZQNUDABBYEPG-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001132518671 1375437085 /nfs/dbraw/zinc/43/70/85/1375437085.db2.gz MNZQNUDABBYEPG-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001132518671 1375437088 /nfs/dbraw/zinc/43/70/88/1375437088.db2.gz MNZQNUDABBYEPG-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](C/C=C/c2ccccc2)C1 ZINC001132521850 1375438109 /nfs/dbraw/zinc/43/81/09/1375438109.db2.gz IBABVRWLHFKOAV-CSXIPAGWSA-N 2 1 343.515 3.009 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](C/C=C/c2ccccc2)C1 ZINC001132521850 1375438112 /nfs/dbraw/zinc/43/81/12/1375438112.db2.gz IBABVRWLHFKOAV-CSXIPAGWSA-N 2 1 343.515 3.009 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](C/C=C/c2ccccc2)C1 ZINC001132521850 1375438113 /nfs/dbraw/zinc/43/81/13/1375438113.db2.gz IBABVRWLHFKOAV-CSXIPAGWSA-N 2 1 343.515 3.009 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CC1=CCCCC1 ZINC001132524820 1375440664 /nfs/dbraw/zinc/44/06/64/1375440664.db2.gz MGHWOGQXHJPTFK-ICSRJNTNSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)=CC[N@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541904 1375449383 /nfs/dbraw/zinc/44/93/83/1375449383.db2.gz MOPOFQGSOIZCEZ-UYAOXDASSA-N 2 1 343.515 3.054 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541904 1375449386 /nfs/dbraw/zinc/44/93/86/1375449386.db2.gz MOPOFQGSOIZCEZ-UYAOXDASSA-N 2 1 343.515 3.054 20 0 EGADMP CC(C)=CC[NH+]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541904 1375449389 /nfs/dbraw/zinc/44/93/89/1375449389.db2.gz MOPOFQGSOIZCEZ-UYAOXDASSA-N 2 1 343.515 3.054 20 0 EGADMP CC(C)=CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541904 1375449390 /nfs/dbraw/zinc/44/93/90/1375449390.db2.gz MOPOFQGSOIZCEZ-UYAOXDASSA-N 2 1 343.515 3.054 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548992 1375455937 /nfs/dbraw/zinc/45/59/37/1375455937.db2.gz MAICCVFXFOCNHR-OALUTQOASA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001227791337 1375474506 /nfs/dbraw/zinc/47/45/06/1375474506.db2.gz CDRUJCGQOHSYFC-WMZOPIPTSA-N 2 1 346.519 3.023 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC1CC[NH+](CCC2CCCCC2)CC1 ZINC001227877249 1375485765 /nfs/dbraw/zinc/48/57/65/1375485765.db2.gz PSRRAQBCDRRLRE-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001132739836 1375538936 /nfs/dbraw/zinc/53/89/36/1375538936.db2.gz WEESZDJOIYSFMX-OALUTQOASA-N 2 1 345.531 3.192 20 0 EGADMP CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132941211 1375660585 /nfs/dbraw/zinc/66/05/85/1375660585.db2.gz HZCQAIYHJSGSIV-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133141154 1375802038 /nfs/dbraw/zinc/80/20/38/1375802038.db2.gz ASGVYALSPXWHAW-QZTJIDSGSA-N 2 1 348.535 3.127 20 0 EGADMP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001133166225 1375819875 /nfs/dbraw/zinc/81/98/75/1375819875.db2.gz RJAFECZMYQOPMC-MJGOQNOKSA-N 2 1 346.519 3.012 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc(F)c1 ZINC001229496842 1375846525 /nfs/dbraw/zinc/84/65/25/1375846525.db2.gz WIHRLPWEIPZNDD-ATZDWAIDSA-N 2 1 349.494 3.246 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(CC)CC)C1 ZINC001133263012 1375879404 /nfs/dbraw/zinc/87/94/04/1375879404.db2.gz NOXXWPVRFOLNMC-PKOBYXMFSA-N 2 1 339.568 3.229 20 0 EGADMP CCC(=O)C1(c2cccc(O[C@H]3CC[N@H+](CC)C3)c2)CC[NH+](C)CC1 ZINC001229731665 1375881407 /nfs/dbraw/zinc/88/14/07/1375881407.db2.gz BEJQKKBFUQDQBU-IBGZPJMESA-N 2 1 344.499 3.102 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001230107590 1375943869 /nfs/dbraw/zinc/94/38/69/1375943869.db2.gz MYGDAUYOCOCKHX-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC001230280264 1375982919 /nfs/dbraw/zinc/98/29/19/1375982919.db2.gz RWTPPMXSQNFXMU-ASOYJQDNSA-N 2 1 343.515 3.057 20 0 EGADMP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001230359982 1376008504 /nfs/dbraw/zinc/00/85/04/1376008504.db2.gz NYGQPTGUZJUBER-LIXSYLKWSA-N 2 1 335.536 3.188 20 0 EGADMP Cc1cc(C)c(C[NH+]2CCC(NC(=O)C[N@H+](C)C(C)C)CC2)c(C)c1 ZINC001230374089 1376010338 /nfs/dbraw/zinc/01/03/38/1376010338.db2.gz IMPOOGRWWYYHAO-UHFFFAOYSA-N 2 1 345.531 3.033 20 0 EGADMP Nc1[nH]c2cc(OC3CC[NH+](CCc4ccccc4)CC3)ccc2[nH+]1 ZINC001230516357 1376048111 /nfs/dbraw/zinc/04/81/11/1376048111.db2.gz PVKDDSXSBRDERL-UHFFFAOYSA-N 2 1 336.439 3.231 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612497 1376102659 /nfs/dbraw/zinc/10/26/59/1376102659.db2.gz BQGUMCAYDTYKNL-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001230612497 1376102661 /nfs/dbraw/zinc/10/26/61/1376102661.db2.gz BQGUMCAYDTYKNL-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001230612497 1376102662 /nfs/dbraw/zinc/10/26/62/1376102662.db2.gz BQGUMCAYDTYKNL-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001230617564 1376103730 /nfs/dbraw/zinc/10/37/30/1376103730.db2.gz CQYHWVAWDOKQQF-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001230617564 1376103734 /nfs/dbraw/zinc/10/37/34/1376103734.db2.gz CQYHWVAWDOKQQF-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230617564 1376103735 /nfs/dbraw/zinc/10/37/35/1376103735.db2.gz CQYHWVAWDOKQQF-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230631035 1376109627 /nfs/dbraw/zinc/10/96/27/1376109627.db2.gz WZBJRWRCEHVVJN-ROUKRRSUSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001230631035 1376109630 /nfs/dbraw/zinc/10/96/30/1376109630.db2.gz WZBJRWRCEHVVJN-ROUKRRSUSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230631035 1376109631 /nfs/dbraw/zinc/10/96/31/1376109631.db2.gz WZBJRWRCEHVVJN-ROUKRRSUSA-N 2 1 349.563 3.386 20 0 EGADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4c[nH]c5cnccc45)C[C@H]3C2)c1 ZINC001231515026 1376253150 /nfs/dbraw/zinc/25/31/50/1376253150.db2.gz BTHQWQAJDFUYKL-IYBDPMFKSA-N 2 1 338.480 3.188 20 0 EGADMP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4c[nH]c5cnccc45)C[C@H]3C2)c1 ZINC001231515026 1376253155 /nfs/dbraw/zinc/25/31/55/1376253155.db2.gz BTHQWQAJDFUYKL-IYBDPMFKSA-N 2 1 338.480 3.188 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4c[nH]c5cnccc45)C[C@H]3C2)c1 ZINC001231515026 1376253160 /nfs/dbraw/zinc/25/31/60/1376253160.db2.gz BTHQWQAJDFUYKL-IYBDPMFKSA-N 2 1 338.480 3.188 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4c[nH]c5cnccc45)C[C@H]3C2)c1 ZINC001231515026 1376253168 /nfs/dbraw/zinc/25/31/68/1376253168.db2.gz BTHQWQAJDFUYKL-IYBDPMFKSA-N 2 1 338.480 3.188 20 0 EGADMP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc5c[nH]nc54)C[C@H]3C2)c1 ZINC001231973557 1376365173 /nfs/dbraw/zinc/36/51/73/1376365173.db2.gz XRZRIFFDACJEBD-IRXDYDNUSA-N 2 1 338.480 3.188 20 0 EGADMP c1cc2c(ccnc2N2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)o1 ZINC001232014323 1376384228 /nfs/dbraw/zinc/38/42/28/1376384228.db2.gz NKPPGGCIZBTISG-UHFFFAOYSA-N 2 1 333.395 3.026 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001232015124 1376384760 /nfs/dbraw/zinc/38/47/60/1376384760.db2.gz BDFYTEOMZCEBIA-DYVFJYSZSA-N 2 1 344.459 3.298 20 0 EGADMP CCCc1noc([C@H]2CCC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)n1 ZINC001232016370 1376385398 /nfs/dbraw/zinc/38/53/98/1376385398.db2.gz WHOCECAEPVEHRF-ZDUSSCGKSA-N 2 1 325.416 3.278 20 0 EGADMP Oc1cncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001232044207 1376390192 /nfs/dbraw/zinc/39/01/92/1376390192.db2.gz FBYMXFDLUHWKKL-PMACEKPBSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001232044207 1376390198 /nfs/dbraw/zinc/39/01/98/1376390198.db2.gz FBYMXFDLUHWKKL-PMACEKPBSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001232044207 1376390204 /nfs/dbraw/zinc/39/02/04/1376390204.db2.gz FBYMXFDLUHWKKL-PMACEKPBSA-N 2 1 337.467 3.131 20 0 EGADMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3cccs3)cn2)CC1 ZINC001232366591 1376449071 /nfs/dbraw/zinc/44/90/71/1376449071.db2.gz YFSVIMSRLIPOHQ-KRWDZBQOSA-N 2 1 342.512 3.232 20 0 EGADMP Nc1ccc(F)cc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001232511812 1376472828 /nfs/dbraw/zinc/47/28/28/1376472828.db2.gz RZBVGMAQLGZHGW-PKOBYXMFSA-N 2 1 339.458 3.362 20 0 EGADMP CC[N@@H+]1C[C@H]2CN(Cc3ccc(NC(=O)OC(C)(C)C)cc3)C[C@H]2C1 ZINC001233340212 1376621773 /nfs/dbraw/zinc/62/17/73/1376621773.db2.gz SKMITCJGWXIOHI-CALCHBBNSA-N 2 1 345.487 3.417 20 0 EGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001233340212 1376621780 /nfs/dbraw/zinc/62/17/80/1376621780.db2.gz SKMITCJGWXIOHI-CALCHBBNSA-N 2 1 345.487 3.417 20 0 EGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001233340212 1376621781 /nfs/dbraw/zinc/62/17/81/1376621781.db2.gz SKMITCJGWXIOHI-CALCHBBNSA-N 2 1 345.487 3.417 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001233340212 1376621785 /nfs/dbraw/zinc/62/17/85/1376621785.db2.gz SKMITCJGWXIOHI-CALCHBBNSA-N 2 1 345.487 3.417 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001233340212 1376621787 /nfs/dbraw/zinc/62/17/87/1376621787.db2.gz SKMITCJGWXIOHI-CALCHBBNSA-N 2 1 345.487 3.417 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612334 1376623955 /nfs/dbraw/zinc/62/39/55/1376623955.db2.gz LEIGEVOBXJMBMW-DLBZAZTESA-N 2 1 337.552 3.314 20 0 EGADMP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)c(C)c1 ZINC001134612172 1376624269 /nfs/dbraw/zinc/62/42/69/1376624269.db2.gz IUVZKEOBVBGJRW-ROUUACIJSA-N 2 1 345.531 3.161 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC/C=C\c1ccccc1 ZINC001134766777 1376710193 /nfs/dbraw/zinc/71/01/93/1376710193.db2.gz LZRVNVGDPGISEP-LHZAFZKQSA-N 2 1 343.515 3.059 20 0 EGADMP CCC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134774157 1376714091 /nfs/dbraw/zinc/71/40/91/1376714091.db2.gz VYMDNKLVXVKBQC-SFDDJJRUSA-N 2 1 325.541 3.336 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001234216368 1376788423 /nfs/dbraw/zinc/78/84/23/1376788423.db2.gz WMTHWBCSYAOCMB-JNVNVXKGSA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001234216368 1376788427 /nfs/dbraw/zinc/78/84/27/1376788427.db2.gz WMTHWBCSYAOCMB-JNVNVXKGSA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001234216368 1376788430 /nfs/dbraw/zinc/78/84/30/1376788430.db2.gz WMTHWBCSYAOCMB-JNVNVXKGSA-N 2 1 335.536 3.138 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001234323910 1376810784 /nfs/dbraw/zinc/81/07/84/1376810784.db2.gz WDCXCKFHMPLBIT-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001234323910 1376810793 /nfs/dbraw/zinc/81/07/93/1376810793.db2.gz WDCXCKFHMPLBIT-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001234323910 1376810801 /nfs/dbraw/zinc/81/08/01/1376810801.db2.gz WDCXCKFHMPLBIT-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP COc1ccc(N(C)c2ccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235023593 1376828660 /nfs/dbraw/zinc/82/86/60/1376828660.db2.gz DGOAELZPUCRDAN-UHFFFAOYSA-N 2 1 337.467 3.258 20 0 EGADMP COc1ccc(N(C)c2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235023593 1376828668 /nfs/dbraw/zinc/82/86/68/1376828668.db2.gz DGOAELZPUCRDAN-UHFFFAOYSA-N 2 1 337.467 3.258 20 0 EGADMP COc1ccc(N(C)c2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235026857 1376830455 /nfs/dbraw/zinc/83/04/55/1376830455.db2.gz UWUCTRWFEOEPDR-LAUBAEHRSA-N 2 1 337.467 3.257 20 0 EGADMP COc1ccc(N(C)c2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235026857 1376830458 /nfs/dbraw/zinc/83/04/58/1376830458.db2.gz UWUCTRWFEOEPDR-LAUBAEHRSA-N 2 1 337.467 3.257 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC1CCCC1 ZINC001235031717 1376831782 /nfs/dbraw/zinc/83/17/82/1376831782.db2.gz GCGWIVRQKDKOKF-FQEVSTJZSA-N 2 1 330.472 3.202 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC1CCCC1 ZINC001235031717 1376831785 /nfs/dbraw/zinc/83/17/85/1376831785.db2.gz GCGWIVRQKDKOKF-FQEVSTJZSA-N 2 1 330.472 3.202 20 0 EGADMP CN(C)c1ccc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235190507 1376857911 /nfs/dbraw/zinc/85/79/11/1376857911.db2.gz KJEYOUKLOQKYLC-RTWAWAEBSA-N 2 1 335.495 3.461 20 0 EGADMP Fc1cc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)cc(OCc2ccccc2)c1 ZINC001235339324 1376868841 /nfs/dbraw/zinc/86/88/41/1376868841.db2.gz FRUDKGIHTAJPNT-SFHVURJKSA-N 2 1 340.442 3.446 20 0 EGADMP Oc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1OCC1CC1 ZINC001235427801 1376869716 /nfs/dbraw/zinc/86/97/16/1376869716.db2.gz OHCZTHYYCVGOIP-RTBURBONSA-N 2 1 344.499 3.393 20 0 EGADMP c1ccc([C@H]2CCC[N@H+](Cc3cccc(N4CC[NH2+]CC4)c3)C2)cc1 ZINC001235666783 1376883575 /nfs/dbraw/zinc/88/35/75/1376883575.db2.gz VVJMNQWNHOVECC-NRFANRHFSA-N 2 1 335.495 3.476 20 0 EGADMP CCOc1cc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)c(F)cn1 ZINC001235874096 1376907070 /nfs/dbraw/zinc/90/70/70/1376907070.db2.gz JTCHRADVGIGZAP-UHFFFAOYSA-N 2 1 329.419 3.210 20 0 EGADMP C[NH2+]CCC[N@@H+]1CCCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC001235885024 1376910835 /nfs/dbraw/zinc/91/08/35/1376910835.db2.gz QSJUNBHHTSXOAK-UHFFFAOYSA-N 2 1 338.908 3.071 20 0 EGADMP C[NH2+]CCC[N@H+]1CCCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC001235885024 1376910850 /nfs/dbraw/zinc/91/08/50/1376910850.db2.gz QSJUNBHHTSXOAK-UHFFFAOYSA-N 2 1 338.908 3.071 20 0 EGADMP COCC[N@H+](Cc1cccc(C(F)(F)F)c1C)C1CC[NH2+]CC1 ZINC001235943136 1376919847 /nfs/dbraw/zinc/91/98/47/1376919847.db2.gz FWQKFVVPDRQFQB-UHFFFAOYSA-N 2 1 330.394 3.214 20 0 EGADMP COCC[N@@H+](Cc1cccc(C(F)(F)F)c1C)C1CC[NH2+]CC1 ZINC001235943136 1376919851 /nfs/dbraw/zinc/91/98/51/1376919851.db2.gz FWQKFVVPDRQFQB-UHFFFAOYSA-N 2 1 330.394 3.214 20 0 EGADMP c1ccc(C[N@@H+](C2CC2)[C@H]2CCCN(C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001236207912 1376941389 /nfs/dbraw/zinc/94/13/89/1376941389.db2.gz DDKGRMKIQPPOLZ-CTNGQTDRSA-N 2 1 327.516 3.115 20 0 EGADMP CC[C@@H](C(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1ccccc1F)[NH+](C)C ZINC001327263955 1388472717 /nfs/dbraw/zinc/47/27/17/1388472717.db2.gz IILUTAJTYCPPFS-YJBOKZPZSA-N 2 1 337.483 3.007 20 0 EGADMP [NH3+]C[C@H]1CCCCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246546262 1377052086 /nfs/dbraw/zinc/05/20/86/1377052086.db2.gz ZVDFOAVXOQOWNJ-PLACYPQZSA-N 2 1 327.516 3.385 20 0 EGADMP C[C@@H]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC001246547046 1377052230 /nfs/dbraw/zinc/05/22/30/1377052230.db2.gz ALBZHMALEPJXTI-FJWRRNOESA-N 2 1 329.532 3.345 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN([C@@H]3CC[NH2+][C@@H](C)C3)C[C@@H]21 ZINC001246764433 1377054537 /nfs/dbraw/zinc/05/45/37/1377054537.db2.gz GPZDFOJJDCTZHO-LPKWFMKBSA-N 2 1 327.516 3.237 20 0 EGADMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+]([C@@H]3CC[NH2+][C@@H](C)C3)C[C@@H]21 ZINC001246764433 1377054542 /nfs/dbraw/zinc/05/45/42/1377054542.db2.gz GPZDFOJJDCTZHO-LPKWFMKBSA-N 3 1 327.516 3.237 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+]([C@@H]3CC[NH2+][C@@H](C)C3)C[C@@H]21 ZINC001246764433 1377054544 /nfs/dbraw/zinc/05/45/44/1377054544.db2.gz GPZDFOJJDCTZHO-LPKWFMKBSA-N 3 1 327.516 3.237 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+]([C@@H]3CC[NH2+][C@@H](C)C3)C[C@@H]21 ZINC001246764433 1377054549 /nfs/dbraw/zinc/05/45/49/1377054549.db2.gz GPZDFOJJDCTZHO-LPKWFMKBSA-N 3 1 327.516 3.237 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+]([C@@H]3CC[NH2+][C@@H](C)C3)C[C@@H]21 ZINC001246764433 1377054551 /nfs/dbraw/zinc/05/45/51/1377054551.db2.gz GPZDFOJJDCTZHO-LPKWFMKBSA-N 3 1 327.516 3.237 20 0 EGADMP C[N@H+]1CCC[C@@H](N(CC[NH3+])Cc2ccc(Cl)cc2Cl)CC1 ZINC001246820851 1377054963 /nfs/dbraw/zinc/05/49/63/1377054963.db2.gz KLEDMCWZOFJAOZ-OAHLLOKOSA-N 2 1 330.303 3.238 20 0 EGADMP C[C@@H]1CC[C@@H]([NH3+])CN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246819996 1377055293 /nfs/dbraw/zinc/05/52/93/1377055293.db2.gz HIHNUXSCURNAEC-LELZANKISA-N 2 1 327.516 3.384 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N(Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1)C2 ZINC001246938180 1377055948 /nfs/dbraw/zinc/05/59/48/1377055948.db2.gz RQOZHPIPTSYJJB-WOZUAGRISA-N 2 1 345.506 3.395 20 0 EGADMP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)[C@H]2CC3CCN(CC3)C2)cc1 ZINC001246938962 1377056101 /nfs/dbraw/zinc/05/61/01/1377056101.db2.gz QMTTZGDTVFLISB-NRFANRHFSA-N 2 1 345.506 3.112 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CCCc1cccc(C)c1 ZINC001135436938 1377096965 /nfs/dbraw/zinc/09/69/65/1377096965.db2.gz GYGCCMFIKVXAKZ-UHFFFAOYSA-N 2 1 347.547 3.146 20 0 EGADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C[C@@H](O)C(C)C)CC3)c1 ZINC001253759457 1377100093 /nfs/dbraw/zinc/10/00/93/1377100093.db2.gz BDLPTNGWMHYCID-HXUWFJFHSA-N 2 1 346.515 3.000 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC001254509346 1377105154 /nfs/dbraw/zinc/10/51/54/1377105154.db2.gz ZSHKFIRGGDMRAQ-IAGOWNOFSA-N 2 1 337.305 3.380 20 0 EGADMP C[N@H+]1CCC[C@H]([NH+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511120 1377105350 /nfs/dbraw/zinc/10/53/50/1377105350.db2.gz WCDCUFRXLKSRSY-FHWLQOOXSA-N 3 1 333.495 3.382 20 0 EGADMP C[NH+]1CCC[C@H]([N@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511120 1377105352 /nfs/dbraw/zinc/10/53/52/1377105352.db2.gz WCDCUFRXLKSRSY-FHWLQOOXSA-N 3 1 333.495 3.382 20 0 EGADMP C[NH+]1CCC[C@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511120 1377105356 /nfs/dbraw/zinc/10/53/56/1377105356.db2.gz WCDCUFRXLKSRSY-FHWLQOOXSA-N 3 1 333.495 3.382 20 0 EGADMP CN1CCC[C@H]([N@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511120 1377105358 /nfs/dbraw/zinc/10/53/58/1377105358.db2.gz WCDCUFRXLKSRSY-FHWLQOOXSA-N 2 1 333.495 3.382 20 0 EGADMP CN1CCC[C@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511120 1377105361 /nfs/dbraw/zinc/10/53/61/1377105361.db2.gz WCDCUFRXLKSRSY-FHWLQOOXSA-N 2 1 333.495 3.382 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1)[NH2+]CCC1CCCC1 ZINC001135477154 1377110602 /nfs/dbraw/zinc/11/06/02/1377110602.db2.gz RMCRPIYLWYLAIU-SJORKVTESA-N 2 1 337.552 3.172 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135586153 1377155389 /nfs/dbraw/zinc/15/53/89/1377155389.db2.gz XHSNKWZUZKAJPY-HZPDHXFCSA-N 2 1 336.524 3.316 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CC1 ZINC001135600190 1377158945 /nfs/dbraw/zinc/15/89/45/1377158945.db2.gz ILNOMWLIWKMBAA-JKSUJKDBSA-N 2 1 334.508 3.070 20 0 EGADMP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135601596 1377159532 /nfs/dbraw/zinc/15/95/32/1377159532.db2.gz WKITZRSVNLJQQK-IAGOWNOFSA-N 2 1 336.524 3.460 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccsc1 ZINC001135678083 1377181197 /nfs/dbraw/zinc/18/11/97/1377181197.db2.gz BFCGBZGQGGYHAX-LSDHHAIUSA-N 2 1 348.516 3.106 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001135861915 1377238709 /nfs/dbraw/zinc/23/87/09/1377238709.db2.gz YUHVSNFVEPHWHK-IAGOWNOFSA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1C ZINC001135978979 1377284924 /nfs/dbraw/zinc/28/49/24/1377284924.db2.gz AHIQTXMMHTZHJM-MOPGFXCFSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC001135996441 1377292324 /nfs/dbraw/zinc/29/23/24/1377292324.db2.gz SWTOBXAUGQSOKW-CABCVRRESA-N 2 1 339.549 3.161 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135995671 1377292364 /nfs/dbraw/zinc/29/23/64/1377292364.db2.gz JFOJGHIIPBUVRG-OALUTQOASA-N 2 1 347.547 3.408 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135997085 1377293310 /nfs/dbraw/zinc/29/33/10/1377293310.db2.gz YCWWRQJKNRKVAR-OALUTQOASA-N 2 1 347.547 3.408 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001266479703 1377317809 /nfs/dbraw/zinc/31/78/09/1377317809.db2.gz BFAFNIKNXHDQRF-OALUTQOASA-N 2 1 343.515 3.060 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001266972090 1377406130 /nfs/dbraw/zinc/40/61/30/1377406130.db2.gz UISJXDCBOSZRCQ-DLBZAZTESA-N 2 1 333.520 3.128 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc2c(cccc2Cl)[nH]1 ZINC001136861139 1377431610 /nfs/dbraw/zinc/43/16/10/1377431610.db2.gz PYTPHDWPLYEUBR-RBUKOAKNSA-N 2 1 346.906 3.032 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc2c(cccc2Cl)[nH]1 ZINC001136861139 1377431612 /nfs/dbraw/zinc/43/16/12/1377431612.db2.gz PYTPHDWPLYEUBR-RBUKOAKNSA-N 2 1 346.906 3.032 20 0 EGADMP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc5c(c4)COC5)C[C@@H]3C2)ccn1 ZINC001137023786 1377459621 /nfs/dbraw/zinc/45/96/21/1377459621.db2.gz FCOZTUVIOKJTKM-KNQAVFIVSA-N 2 1 349.478 3.066 20 0 EGADMP c1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc5c(c4)COC5)C[C@@H]3C2)ccn1 ZINC001137023786 1377459623 /nfs/dbraw/zinc/45/96/23/1377459623.db2.gz FCOZTUVIOKJTKM-KNQAVFIVSA-N 2 1 349.478 3.066 20 0 EGADMP c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc5c(c4)COC5)C[C@@H]3C2)ccn1 ZINC001137023786 1377459625 /nfs/dbraw/zinc/45/96/25/1377459625.db2.gz FCOZTUVIOKJTKM-KNQAVFIVSA-N 2 1 349.478 3.066 20 0 EGADMP c1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc5c(c4)COC5)C[C@@H]3C2)ccn1 ZINC001137023786 1377459627 /nfs/dbraw/zinc/45/96/27/1377459627.db2.gz FCOZTUVIOKJTKM-KNQAVFIVSA-N 2 1 349.478 3.066 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ccn1 ZINC001137412332 1377543243 /nfs/dbraw/zinc/54/32/43/1377543243.db2.gz WEVMURMANRUNFB-UHFFFAOYSA-N 2 1 336.483 3.273 20 0 EGADMP Cc1ccc2[nH]c(C[N@@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)cc2c1 ZINC001138415640 1377720625 /nfs/dbraw/zinc/72/06/25/1377720625.db2.gz KDUPEVILMQYHLY-BGYRXZFFSA-N 2 1 346.478 3.435 20 0 EGADMP Cc1ccc2[nH]c(CN3C[C@@H]4C[N@@H+](Cc5cccnc5)C[C@@H]4C3)cc2c1 ZINC001138415640 1377720628 /nfs/dbraw/zinc/72/06/28/1377720628.db2.gz KDUPEVILMQYHLY-BGYRXZFFSA-N 2 1 346.478 3.435 20 0 EGADMP Cc1ccc2[nH]c(CN3C[C@@H]4C[N@H+](Cc5cccnc5)C[C@@H]4C3)cc2c1 ZINC001138415640 1377720629 /nfs/dbraw/zinc/72/06/29/1377720629.db2.gz KDUPEVILMQYHLY-BGYRXZFFSA-N 2 1 346.478 3.435 20 0 EGADMP Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)o1 ZINC001138550615 1377740682 /nfs/dbraw/zinc/74/06/82/1377740682.db2.gz ZSIQODXPICHKLK-KRWDZBQOSA-N 2 1 337.427 3.252 20 0 EGADMP Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)o1 ZINC001138550615 1377740684 /nfs/dbraw/zinc/74/06/84/1377740684.db2.gz ZSIQODXPICHKLK-KRWDZBQOSA-N 2 1 337.427 3.252 20 0 EGADMP CC[NH+](CC)CCN1CC[NH+](Cc2c(Cl)[nH]c3ccccc32)CC1 ZINC001138684718 1377767526 /nfs/dbraw/zinc/76/75/26/1377767526.db2.gz NUOKEUGXZXBMBO-UHFFFAOYSA-N 2 1 348.922 3.281 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CCc2cccc(F)c2)cc1 ZINC001138772259 1377782226 /nfs/dbraw/zinc/78/22/26/1377782226.db2.gz VZKNCFGFJRPDKR-UHFFFAOYSA-N 2 1 330.447 3.441 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)cc1 ZINC001138772699 1377782258 /nfs/dbraw/zinc/78/22/58/1377782258.db2.gz XFJSRESOEHJVHX-HXUWFJFHSA-N 2 1 339.483 3.229 20 0 EGADMP Cc1c[nH]c(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)n1 ZINC001138936616 1377805358 /nfs/dbraw/zinc/80/53/58/1377805358.db2.gz MJABGSDGFLRMLH-QGZVFWFLSA-N 2 1 328.460 3.188 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)CC1 ZINC001139360239 1377874255 /nfs/dbraw/zinc/87/42/55/1377874255.db2.gz NTQRFPQTKIUYKT-UHFFFAOYSA-N 2 1 326.488 3.425 20 0 EGADMP O=c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c[nH]1 ZINC001139471488 1377890553 /nfs/dbraw/zinc/89/05/53/1377890553.db2.gz XRTXYQDUNDBPSD-PMACEKPBSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c[nH]1 ZINC001139471488 1377890554 /nfs/dbraw/zinc/89/05/54/1377890554.db2.gz XRTXYQDUNDBPSD-PMACEKPBSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c[nH]1 ZINC001139471488 1377890555 /nfs/dbraw/zinc/89/05/55/1377890555.db2.gz XRTXYQDUNDBPSD-PMACEKPBSA-N 2 1 337.467 3.131 20 0 EGADMP COCC[N@H+](Cc1ccc(-c2ccsc2)nc1)C1CCN(C)CC1 ZINC001139499765 1377893717 /nfs/dbraw/zinc/89/37/17/1377893717.db2.gz ZLJJGEDULJXJFF-UHFFFAOYSA-N 2 1 345.512 3.353 20 0 EGADMP COCC[N@@H+](Cc1ccc(-c2ccsc2)nc1)C1CCN(C)CC1 ZINC001139499765 1377893720 /nfs/dbraw/zinc/89/37/20/1377893720.db2.gz ZLJJGEDULJXJFF-UHFFFAOYSA-N 2 1 345.512 3.353 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2cccc(C(=O)OC)c12 ZINC001139721887 1377941151 /nfs/dbraw/zinc/94/11/51/1377941151.db2.gz CRUNLJNWYIPWRW-UHFFFAOYSA-N 2 1 331.460 3.118 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](CCO)Cc1cccs1 ZINC001140028244 1377993021 /nfs/dbraw/zinc/99/30/21/1377993021.db2.gz PDMJIGSRMXYNAM-UHFFFAOYSA-N 2 1 327.453 3.237 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](CCO)Cc1cccs1 ZINC001140028244 1377993024 /nfs/dbraw/zinc/99/30/24/1377993024.db2.gz PDMJIGSRMXYNAM-UHFFFAOYSA-N 2 1 327.453 3.237 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(Cc3ccncn3)C[C@H]21 ZINC001140343332 1378050187 /nfs/dbraw/zinc/05/01/87/1378050187.db2.gz DHTQUDNLSNXBIP-KFKAGJAMSA-N 2 1 342.512 3.271 20 0 EGADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccncn3)C[C@H]21 ZINC001140343332 1378050188 /nfs/dbraw/zinc/05/01/88/1378050188.db2.gz DHTQUDNLSNXBIP-KFKAGJAMSA-N 2 1 342.512 3.271 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccncn3)C[C@H]21 ZINC001140343332 1378050190 /nfs/dbraw/zinc/05/01/90/1378050190.db2.gz DHTQUDNLSNXBIP-KFKAGJAMSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccncn3)C[C@H]21 ZINC001140343332 1378050192 /nfs/dbraw/zinc/05/01/92/1378050192.db2.gz DHTQUDNLSNXBIP-KFKAGJAMSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccncn3)C[C@H]21 ZINC001140343332 1378050194 /nfs/dbraw/zinc/05/01/94/1378050194.db2.gz DHTQUDNLSNXBIP-KFKAGJAMSA-N 2 1 342.512 3.271 20 0 EGADMP CC[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2CCC[NH+]1CCCCC1 ZINC001272715982 1378079474 /nfs/dbraw/zinc/07/94/74/1378079474.db2.gz BPNYKLRQEQBKCZ-AZUAARDMSA-N 2 1 335.536 3.118 20 0 EGADMP CC[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2CCC[NH+]1CCCCC1 ZINC001272715982 1378079477 /nfs/dbraw/zinc/07/94/77/1378079477.db2.gz BPNYKLRQEQBKCZ-AZUAARDMSA-N 2 1 335.536 3.118 20 0 EGADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(F)ccc1C)C2 ZINC001140591061 1378092816 /nfs/dbraw/zinc/09/28/16/1378092816.db2.gz PTSTVJLGKKKLBF-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(F)ccc1C)C2 ZINC001140591061 1378092817 /nfs/dbraw/zinc/09/28/17/1378092817.db2.gz PTSTVJLGKKKLBF-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(F)ccc1C)C2 ZINC001140591061 1378092818 /nfs/dbraw/zinc/09/28/18/1378092818.db2.gz PTSTVJLGKKKLBF-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(F)ccc1C)C2 ZINC001140591061 1378092819 /nfs/dbraw/zinc/09/28/19/1378092819.db2.gz PTSTVJLGKKKLBF-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@@H]3CCCCN3Cc3ccccc3)C[C@H]2CC1 ZINC001276492527 1378175773 /nfs/dbraw/zinc/17/57/73/1378175773.db2.gz VXHVIWVCSNIKQZ-BDTNDASRSA-N 2 1 341.543 3.315 20 0 EGADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@@H]3CCCCN3Cc3ccccc3)C[C@H]2CC1 ZINC001276492527 1378175775 /nfs/dbraw/zinc/17/57/75/1378175775.db2.gz VXHVIWVCSNIKQZ-BDTNDASRSA-N 2 1 341.543 3.315 20 0 EGADMP C[NH+]1CC[C@H]2C[N@H+](C[C@@H]3CCCCN3Cc3ccccc3)C[C@H]2CC1 ZINC001276492527 1378175777 /nfs/dbraw/zinc/17/57/77/1378175777.db2.gz VXHVIWVCSNIKQZ-BDTNDASRSA-N 2 1 341.543 3.315 20 0 EGADMP CC(C)Oc1ncc(Cl)cc1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001276872232 1378190300 /nfs/dbraw/zinc/19/03/00/1378190300.db2.gz FCSLJXUYNDQJRP-UHFFFAOYSA-N 2 1 337.895 3.440 20 0 EGADMP CC(C)Oc1ncc(Cl)cc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276872232 1378190305 /nfs/dbraw/zinc/19/03/05/1378190305.db2.gz FCSLJXUYNDQJRP-UHFFFAOYSA-N 2 1 337.895 3.440 20 0 EGADMP Cc1ncoc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001141056774 1378223686 /nfs/dbraw/zinc/22/36/86/1378223686.db2.gz DMWXHPUJTFRTCD-RTBURBONSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1ncoc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001141056774 1378223690 /nfs/dbraw/zinc/22/36/90/1378223690.db2.gz DMWXHPUJTFRTCD-RTBURBONSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1ncoc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001141056774 1378223694 /nfs/dbraw/zinc/22/36/94/1378223694.db2.gz DMWXHPUJTFRTCD-RTBURBONSA-N 2 1 325.456 3.327 20 0 EGADMP C[NH+]1CCC(N2CCC[C@@]3(CC[N@@H+](CCCC(F)(F)F)C3)C2)CC1 ZINC001277624659 1378240518 /nfs/dbraw/zinc/24/05/18/1378240518.db2.gz GFDQGQCPYWFGIM-KRWDZBQOSA-N 2 1 347.469 3.211 20 0 EGADMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c2ccoc2ccc1F ZINC001278174183 1378260795 /nfs/dbraw/zinc/26/07/95/1378260795.db2.gz XVVXRYLZGOFGTG-MQVJKMGUSA-N 2 1 345.462 3.219 20 0 EGADMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c2ccoc2ccc1F ZINC001278174183 1378260798 /nfs/dbraw/zinc/26/07/98/1378260798.db2.gz XVVXRYLZGOFGTG-MQVJKMGUSA-N 2 1 345.462 3.219 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccsc1 ZINC001141610175 1378350878 /nfs/dbraw/zinc/35/08/78/1378350878.db2.gz FUFPDCFKHBMKBP-MRXNPFEDSA-N 2 1 339.549 3.225 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccc(C)cc1 ZINC001281968374 1378465588 /nfs/dbraw/zinc/46/55/88/1378465588.db2.gz KEIXSVLVLSPFHI-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C)cc1 ZINC001281968374 1378465589 /nfs/dbraw/zinc/46/55/89/1378465589.db2.gz KEIXSVLVLSPFHI-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C)cc1 ZINC001281968374 1378465591 /nfs/dbraw/zinc/46/55/91/1378465591.db2.gz KEIXSVLVLSPFHI-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)CC(C)(C)C ZINC001143140336 1378546111 /nfs/dbraw/zinc/54/61/11/1378546111.db2.gz NJFPVQXDEOBAKW-ZWKOTPCHSA-N 2 1 339.568 3.323 20 0 EGADMP COc1cc(F)c(F)cc1C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001143389914 1378591486 /nfs/dbraw/zinc/59/14/86/1378591486.db2.gz OKXLKKZWHCPWCB-UHFFFAOYSA-N 2 1 347.409 3.416 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(O)cc3C(F)(F)F)C2)CC1 ZINC001144391786 1378725228 /nfs/dbraw/zinc/72/52/28/1378725228.db2.gz ZVDXYWPFERSRRH-UHFFFAOYSA-N 2 1 328.378 3.329 20 0 EGADMP Cc1cc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c(F)cc1Br ZINC001144583925 1378747901 /nfs/dbraw/zinc/74/79/01/1378747901.db2.gz OOGPURSCCSYUHI-OCCSQVGLSA-N 2 1 341.268 3.280 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001146592730 1378873435 /nfs/dbraw/zinc/87/34/35/1378873435.db2.gz KXOJQUYTXBKGQW-IAGOWNOFSA-N 2 1 325.541 3.170 20 0 EGADMP CC(C)CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706352 1378903012 /nfs/dbraw/zinc/90/30/12/1378903012.db2.gz DCYQSAYZHJJKJB-OALUTQOASA-N 2 1 347.547 3.428 20 0 EGADMP CC(C)CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706352 1378903015 /nfs/dbraw/zinc/90/30/15/1378903015.db2.gz DCYQSAYZHJJKJB-OALUTQOASA-N 2 1 347.547 3.428 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC1CCC(C)CC1 ZINC001147359183 1379008609 /nfs/dbraw/zinc/00/86/09/1379008609.db2.gz NGVSXOBUIJXPMX-ACBHZAAOSA-N 2 1 337.552 3.173 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC2(C1)CC[N@@H+](CCC1CCCCCC1)C2 ZINC001148174583 1379128311 /nfs/dbraw/zinc/12/83/11/1379128311.db2.gz QCDPLHOHVGSCPW-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CC)C2 ZINC001148458132 1379175734 /nfs/dbraw/zinc/17/57/34/1379175734.db2.gz KJKIWADXQFRJBE-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)CC)C2 ZINC001148458132 1379175738 /nfs/dbraw/zinc/17/57/38/1379175738.db2.gz KJKIWADXQFRJBE-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)CC)C2 ZINC001148458132 1379175742 /nfs/dbraw/zinc/17/57/42/1379175742.db2.gz KJKIWADXQFRJBE-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001148827870 1379277812 /nfs/dbraw/zinc/27/78/12/1379277812.db2.gz PHSPXGZTGKPSCN-SNAWJCMRSA-N 2 1 347.547 3.143 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC001149140461 1379332950 /nfs/dbraw/zinc/33/29/50/1379332950.db2.gz WGIWYGYWYUPFCV-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001149140461 1379332955 /nfs/dbraw/zinc/33/29/55/1379332955.db2.gz WGIWYGYWYUPFCV-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001149140461 1379332960 /nfs/dbraw/zinc/33/29/60/1379332960.db2.gz WGIWYGYWYUPFCV-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001152529532 1379945681 /nfs/dbraw/zinc/94/56/81/1379945681.db2.gz QSHARPXRYSBUGF-XLIONFOSSA-N 2 1 339.483 3.065 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313711 1380054011 /nfs/dbraw/zinc/05/40/11/1380054011.db2.gz VQZWTPKQQUCOQC-AEFFLSMTSA-N 2 1 325.541 3.122 20 0 EGADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153313711 1380054013 /nfs/dbraw/zinc/05/40/13/1380054013.db2.gz VQZWTPKQQUCOQC-AEFFLSMTSA-N 2 1 325.541 3.122 20 0 EGADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153313711 1380054016 /nfs/dbraw/zinc/05/40/16/1380054016.db2.gz VQZWTPKQQUCOQC-AEFFLSMTSA-N 2 1 325.541 3.122 20 0 EGADMP CC[C@@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153367682 1380066012 /nfs/dbraw/zinc/06/60/12/1380066012.db2.gz CBEZMWNWKRLWKK-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[N@H+](CC)CCC1CC1 ZINC001153432266 1380075711 /nfs/dbraw/zinc/07/57/11/1380075711.db2.gz IFVBALLZWPTWCF-JKSUJKDBSA-N 2 1 334.508 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CCC1CC1 ZINC001153432266 1380075721 /nfs/dbraw/zinc/07/57/21/1380075721.db2.gz IFVBALLZWPTWCF-JKSUJKDBSA-N 2 1 334.508 3.023 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001153677611 1380113399 /nfs/dbraw/zinc/11/33/99/1380113399.db2.gz JJRMGZYRZMMSEW-IAGOWNOFSA-N 2 1 331.520 3.073 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001153727946 1380119413 /nfs/dbraw/zinc/11/94/13/1380119413.db2.gz ITWNZQRWPIKLOO-BGGMYYEUSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001153727946 1380119415 /nfs/dbraw/zinc/11/94/15/1380119415.db2.gz ITWNZQRWPIKLOO-BGGMYYEUSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001153727946 1380119417 /nfs/dbraw/zinc/11/94/17/1380119417.db2.gz ITWNZQRWPIKLOO-BGGMYYEUSA-N 2 1 337.552 3.434 20 0 EGADMP CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153819094 1380136044 /nfs/dbraw/zinc/13/60/44/1380136044.db2.gz NEMVEOJCKGTCPF-UYAOXDASSA-N 2 1 345.531 3.276 20 0 EGADMP CC[NH+](Cc1ccccc1)[C@H](C)CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001153819094 1380136045 /nfs/dbraw/zinc/13/60/45/1380136045.db2.gz NEMVEOJCKGTCPF-UYAOXDASSA-N 2 1 345.531 3.276 20 0 EGADMP CC[NH+](Cc1ccccc1)[C@H](C)CNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001153819094 1380136046 /nfs/dbraw/zinc/13/60/46/1380136046.db2.gz NEMVEOJCKGTCPF-UYAOXDASSA-N 2 1 345.531 3.276 20 0 EGADMP CC[N@@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153879253 1380148211 /nfs/dbraw/zinc/14/82/11/1380148211.db2.gz BYISTWMTEMDFSB-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](Cc1cccc(C)c1)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153879253 1380148213 /nfs/dbraw/zinc/14/82/13/1380148213.db2.gz BYISTWMTEMDFSB-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](Cc1cccc(C)c1)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153879253 1380148214 /nfs/dbraw/zinc/14/82/14/1380148214.db2.gz BYISTWMTEMDFSB-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153879894 1380148880 /nfs/dbraw/zinc/14/88/80/1380148880.db2.gz ORJOUBSAVSPZNN-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](Cc1cccc(F)c1)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153879894 1380148881 /nfs/dbraw/zinc/14/88/81/1380148881.db2.gz ORJOUBSAVSPZNN-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](Cc1cccc(F)c1)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153879894 1380148882 /nfs/dbraw/zinc/14/88/82/1380148882.db2.gz ORJOUBSAVSPZNN-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153879953 1380148906 /nfs/dbraw/zinc/14/89/06/1380148906.db2.gz QFLYEFGUMWRIKI-MSOLQXFVSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153879953 1380148908 /nfs/dbraw/zinc/14/89/08/1380148908.db2.gz QFLYEFGUMWRIKI-MSOLQXFVSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153879953 1380148911 /nfs/dbraw/zinc/14/89/11/1380148911.db2.gz QFLYEFGUMWRIKI-MSOLQXFVSA-N 2 1 325.541 3.268 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCc1ccccc1C)[NH+](C)C ZINC001154001781 1380175124 /nfs/dbraw/zinc/17/51/24/1380175124.db2.gz WONCADLXLVGUBP-UYAOXDASSA-N 2 1 347.547 3.094 20 0 EGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033699 1380187072 /nfs/dbraw/zinc/18/70/72/1380187072.db2.gz JTMJPXYDBJDDCQ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154033699 1380187073 /nfs/dbraw/zinc/18/70/73/1380187073.db2.gz JTMJPXYDBJDDCQ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154033699 1380187075 /nfs/dbraw/zinc/18/70/75/1380187075.db2.gz JTMJPXYDBJDDCQ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154034349 1380188299 /nfs/dbraw/zinc/18/82/99/1380188299.db2.gz ZBZILBFHQAYEIQ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154034349 1380188301 /nfs/dbraw/zinc/18/83/01/1380188301.db2.gz ZBZILBFHQAYEIQ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154034349 1380188308 /nfs/dbraw/zinc/18/83/08/1380188308.db2.gz ZBZILBFHQAYEIQ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154887691 1380373123 /nfs/dbraw/zinc/37/31/23/1380373123.db2.gz CPHKFFGTKWPCMW-MRXNPFEDSA-N 2 1 349.519 3.362 20 0 EGADMP CC[N@@H+](CCCc1ccccc1C)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154908928 1380374964 /nfs/dbraw/zinc/37/49/64/1380374964.db2.gz CYNAOFHCXKXIGL-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066674 1380401480 /nfs/dbraw/zinc/40/14/80/1380401480.db2.gz MVQUWCVGNHBFKN-LLSOJIOMSA-N 2 1 325.541 3.146 20 0 EGADMP F[C@@]1(CNc2nc(Cl)ccc2C[NH+]2CCCC2)CCCC[NH2+]C1 ZINC001155118590 1380412129 /nfs/dbraw/zinc/41/21/29/1380412129.db2.gz YPOUVJQISILXED-KRWDZBQOSA-N 2 1 340.874 3.225 20 0 EGADMP CCc1ccc(C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]2CCC[C@H]2C)cc1 ZINC001155225839 1380426305 /nfs/dbraw/zinc/42/63/05/1380426305.db2.gz AJJLJQIXVAUIPK-QZTJIDSGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]2CCC[C@H]2C)cc1 ZINC001155225839 1380426306 /nfs/dbraw/zinc/42/63/06/1380426306.db2.gz AJJLJQIXVAUIPK-QZTJIDSGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[NH+](CC)[C@H](C)CNC(=O)C[N@H+]2CCC[C@H]2C)cc1 ZINC001155225839 1380426307 /nfs/dbraw/zinc/42/63/07/1380426307.db2.gz AJJLJQIXVAUIPK-QZTJIDSGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001155262896 1380430241 /nfs/dbraw/zinc/43/02/41/1380430241.db2.gz KNEHKQDEZXKJNR-MRXNPFEDSA-N 2 1 327.557 3.227 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155262896 1380430239 /nfs/dbraw/zinc/43/02/39/1380430239.db2.gz KNEHKQDEZXKJNR-MRXNPFEDSA-N 2 1 327.557 3.227 20 0 EGADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001155262896 1380430242 /nfs/dbraw/zinc/43/02/42/1380430242.db2.gz KNEHKQDEZXKJNR-MRXNPFEDSA-N 2 1 327.557 3.227 20 0 EGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155838686 1380497959 /nfs/dbraw/zinc/49/79/59/1380497959.db2.gz ARXSLCPMRAASQU-QGZVFWFLSA-N 2 1 331.504 3.155 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C)C(C)C ZINC001155883847 1380502422 /nfs/dbraw/zinc/50/24/22/1380502422.db2.gz MHFAMDRJZDCRPY-MSOLQXFVSA-N 2 1 325.541 3.146 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C/C=C\Cl ZINC001156306968 1380555022 /nfs/dbraw/zinc/55/50/22/1380555022.db2.gz YIPXUFHXBXEEEJ-OQUOUOFJSA-N 2 1 343.943 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)C/C=C\Cl ZINC001156306968 1380555023 /nfs/dbraw/zinc/55/50/23/1380555023.db2.gz YIPXUFHXBXEEEJ-OQUOUOFJSA-N 2 1 343.943 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C\Cl ZINC001156306968 1380555024 /nfs/dbraw/zinc/55/50/24/1380555024.db2.gz YIPXUFHXBXEEEJ-OQUOUOFJSA-N 2 1 343.943 3.220 20 0 EGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374176 1380566808 /nfs/dbraw/zinc/56/68/08/1380566808.db2.gz LTGDLOMAAMMQEO-MJGOQNOKSA-N 2 1 335.536 3.045 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156374176 1380566812 /nfs/dbraw/zinc/56/68/12/1380566812.db2.gz LTGDLOMAAMMQEO-MJGOQNOKSA-N 2 1 335.536 3.045 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156374176 1380566815 /nfs/dbraw/zinc/56/68/15/1380566815.db2.gz LTGDLOMAAMMQEO-MJGOQNOKSA-N 2 1 335.536 3.045 20 0 EGADMP CC[N@@H+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156935762 1380733746 /nfs/dbraw/zinc/73/37/46/1380733746.db2.gz VZUOAGXZQSOZFC-GOSISDBHSA-N 2 1 345.531 3.232 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156961329 1380738000 /nfs/dbraw/zinc/73/80/00/1380738000.db2.gz MWYRXKKHAWRWTK-GOSISDBHSA-N 2 1 325.541 3.269 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109235 1380777837 /nfs/dbraw/zinc/77/78/37/1380777837.db2.gz KEPNIMKQBGQRNI-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001157109235 1380777838 /nfs/dbraw/zinc/77/78/38/1380777838.db2.gz KEPNIMKQBGQRNI-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](CC/C=C\c1ccccc1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157112997 1380778430 /nfs/dbraw/zinc/77/84/30/1380778430.db2.gz FNPCQWZJCTWAQR-LMICACPXSA-N 2 1 345.531 3.257 20 0 EGADMP CC[NH+](CC/C=C\c1ccccc1)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157112997 1380778435 /nfs/dbraw/zinc/77/84/35/1380778435.db2.gz FNPCQWZJCTWAQR-LMICACPXSA-N 2 1 345.531 3.257 20 0 EGADMP CC[NH+](CC/C=C\c1ccccc1)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157112997 1380778438 /nfs/dbraw/zinc/77/84/38/1380778438.db2.gz FNPCQWZJCTWAQR-LMICACPXSA-N 2 1 345.531 3.257 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157119205 1380780400 /nfs/dbraw/zinc/78/04/00/1380780400.db2.gz QTGWOBRZHYPZBY-MOPGFXCFSA-N 2 1 339.568 3.370 20 0 EGADMP c1cc2c[nH+]c(N(c3ncnc4ccccc43)C3CC[NH2+]CC3)cc2[nH]1 ZINC001157318053 1380841588 /nfs/dbraw/zinc/84/15/88/1380841588.db2.gz AJZWCGBZHOCVCK-UHFFFAOYSA-N 2 1 344.422 3.396 20 0 EGADMP CCC[N@@H+]1C[C@H]2CN(c3ccc([C@H]4CCCC[NH+]4CC)cn3)C[C@H]2C1 ZINC001157698061 1381006568 /nfs/dbraw/zinc/00/65/68/1381006568.db2.gz BICCEIIOIKEXOB-HSALFYBXSA-N 2 1 342.531 3.407 20 0 EGADMP CCC[NH+]1C[C@H]2CN(c3ccc([C@H]4CCCC[N@@H+]4CC)cn3)C[C@H]2C1 ZINC001157698061 1381006572 /nfs/dbraw/zinc/00/65/72/1381006572.db2.gz BICCEIIOIKEXOB-HSALFYBXSA-N 2 1 342.531 3.407 20 0 EGADMP CCC[NH+]1C[C@H]2CN(c3ccc([C@H]4CCCC[N@H+]4CC)cn3)C[C@H]2C1 ZINC001157698061 1381006574 /nfs/dbraw/zinc/00/65/74/1381006574.db2.gz BICCEIIOIKEXOB-HSALFYBXSA-N 2 1 342.531 3.407 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1)c1ccccc1 ZINC001157804209 1381038090 /nfs/dbraw/zinc/03/80/90/1381038090.db2.gz OQWNKUXUGBZDAJ-NZSAHSFTSA-N 2 1 331.504 3.045 20 0 EGADMP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001157973405 1381089064 /nfs/dbraw/zinc/08/90/64/1381089064.db2.gz ASUQTEBIWPCEJM-PDTMIUJASA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001157973405 1381089069 /nfs/dbraw/zinc/08/90/69/1381089069.db2.gz ASUQTEBIWPCEJM-PDTMIUJASA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001157973405 1381089073 /nfs/dbraw/zinc/08/90/73/1381089073.db2.gz ASUQTEBIWPCEJM-PDTMIUJASA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001158089766 1381125424 /nfs/dbraw/zinc/12/54/24/1381125424.db2.gz AJYGCWMVOSZJCG-SFFCAUCYSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001158089766 1381125432 /nfs/dbraw/zinc/12/54/32/1381125432.db2.gz AJYGCWMVOSZJCG-SFFCAUCYSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001158089766 1381125437 /nfs/dbraw/zinc/12/54/37/1381125437.db2.gz AJYGCWMVOSZJCG-SFFCAUCYSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158228320 1381167651 /nfs/dbraw/zinc/16/76/51/1381167651.db2.gz ZZTINHOSNCOPEX-LJQANCHMSA-N 2 1 340.471 3.227 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)cc1C ZINC001328266103 1388704314 /nfs/dbraw/zinc/70/43/14/1388704314.db2.gz GVDAZHLXPGXXKB-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH2+]Cc1csc(C)c1 ZINC001158356445 1381214634 /nfs/dbraw/zinc/21/46/34/1381214634.db2.gz WCPDUFPHQAYRCD-CQSZACIVSA-N 2 1 348.516 3.063 20 0 EGADMP Cc1ccc(C[N@H+](C)C[C@H]2CCCCN2C(=O)CCC[NH+](C)C)cc1 ZINC001158437951 1381247304 /nfs/dbraw/zinc/24/73/04/1381247304.db2.gz HQOYSSKNPRLQLG-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CCCC1 ZINC001158445060 1381247857 /nfs/dbraw/zinc/24/78/57/1381247857.db2.gz ITOPIHSULNKKHV-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC1CCC(C[N@@H+](C)C[C@H]2CCCCN2C(=O)CC[NH+](C)C)CC1 ZINC001158450473 1381249735 /nfs/dbraw/zinc/24/97/35/1381249735.db2.gz RSNORTFAVZGKMI-CTWPCTMYSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC001158598039 1381313559 /nfs/dbraw/zinc/31/35/59/1381313559.db2.gz PNZQVCIAJDTTGU-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC001158598039 1381313562 /nfs/dbraw/zinc/31/35/62/1381313562.db2.gz PNZQVCIAJDTTGU-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC12CCCCC2 ZINC001158703728 1381358631 /nfs/dbraw/zinc/35/86/31/1381358631.db2.gz UPRFXKGEVGQOSC-IBGZPJMESA-N 2 1 347.547 3.260 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CCCC(C)(C)C ZINC001158922821 1381465372 /nfs/dbraw/zinc/46/53/72/1381465372.db2.gz IRAGVVNMPCAQOE-GOSISDBHSA-N 2 1 339.568 3.466 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC(C)(C)C ZINC001158922821 1381465375 /nfs/dbraw/zinc/46/53/75/1381465375.db2.gz IRAGVVNMPCAQOE-GOSISDBHSA-N 2 1 339.568 3.466 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001158922821 1381465379 /nfs/dbraw/zinc/46/53/79/1381465379.db2.gz IRAGVVNMPCAQOE-GOSISDBHSA-N 2 1 339.568 3.466 20 0 EGADMP CCCn1c2ccccc2nc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328413320 1388739990 /nfs/dbraw/zinc/73/99/90/1388739990.db2.gz XNRNRFROGHVAKE-UHFFFAOYSA-N 2 1 326.488 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001159335029 1381767875 /nfs/dbraw/zinc/76/78/75/1381767875.db2.gz PCIZGUGXFHSSRX-HXUWFJFHSA-N 2 1 343.515 3.034 20 0 EGADMP CC1CCC(C[N@@H+]2CC=C(CCNC(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001159628381 1381852325 /nfs/dbraw/zinc/85/23/25/1381852325.db2.gz HHJYLJDIBAMOCM-UUKMXZOPSA-N 2 1 347.547 3.045 20 0 EGADMP CC1CCC(C[NH+]2CC=C(CCNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001159628381 1381852329 /nfs/dbraw/zinc/85/23/29/1381852329.db2.gz HHJYLJDIBAMOCM-UUKMXZOPSA-N 2 1 347.547 3.045 20 0 EGADMP CC1CCC(C[NH+]2CC=C(CCNC(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001159628381 1381852338 /nfs/dbraw/zinc/85/23/38/1381852338.db2.gz HHJYLJDIBAMOCM-UUKMXZOPSA-N 2 1 347.547 3.045 20 0 EGADMP c1ccc(C[N@H+]2CCC=C(Nc3ccccc3N3CC[NH2+]CC3)C2)cc1 ZINC001159813036 1381908040 /nfs/dbraw/zinc/90/80/40/1381908040.db2.gz OCIBGYBZPGHZBT-UHFFFAOYSA-N 2 1 348.494 3.298 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC001159838220 1381917166 /nfs/dbraw/zinc/91/71/66/1381917166.db2.gz JVPSSWXQWRSEQS-AZUAARDMSA-N 2 1 345.531 3.130 20 0 EGADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159980544 1381957636 /nfs/dbraw/zinc/95/76/36/1381957636.db2.gz VJQRCBMTJJYLBL-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccc(OC2CC[NH2+]CC2)c(F)c1 ZINC001160101535 1381996944 /nfs/dbraw/zinc/99/69/44/1381996944.db2.gz QVPBWDWFFFQJIZ-UHFFFAOYSA-N 2 1 344.434 3.470 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+](CCCC(C)C)CC2)CC[N@H+]1C ZINC001160169355 1382023070 /nfs/dbraw/zinc/02/30/70/1382023070.db2.gz QGHKZJYEGNPZLK-VQTJNVASSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@H+](CCCC(C)C)CC2)CC[NH+]1C ZINC001160169355 1382023074 /nfs/dbraw/zinc/02/30/74/1382023074.db2.gz QGHKZJYEGNPZLK-VQTJNVASSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@@H+](CCCC(C)C)CC2)CC[NH+]1C ZINC001160169355 1382023076 /nfs/dbraw/zinc/02/30/76/1382023076.db2.gz QGHKZJYEGNPZLK-VQTJNVASSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353052 1382081064 /nfs/dbraw/zinc/08/10/64/1382081064.db2.gz OKSKHHLVPLYPSU-UYAOXDASSA-N 2 1 349.563 3.149 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160353052 1382081066 /nfs/dbraw/zinc/08/10/66/1382081066.db2.gz OKSKHHLVPLYPSU-UYAOXDASSA-N 2 1 349.563 3.149 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001160353052 1382081071 /nfs/dbraw/zinc/08/10/71/1382081071.db2.gz OKSKHHLVPLYPSU-UYAOXDASSA-N 2 1 349.563 3.149 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCCC1=CC[N@@H+](CCCC(C)(C)C)CC1)C1CC1 ZINC001160360285 1382081930 /nfs/dbraw/zinc/08/19/30/1382081930.db2.gz NGFHLLNQQLHZHE-LJQANCHMSA-N 2 1 349.563 3.291 20 0 EGADMP C[N@@H+](CC(=O)N(CC[NH+]1CCCCCC1)C1CCC1)CC(C)(C)C ZINC001160368997 1382084502 /nfs/dbraw/zinc/08/45/02/1382084502.db2.gz RIYNSKCHWZMKIS-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001160400536 1382094141 /nfs/dbraw/zinc/09/41/41/1382094141.db2.gz UPFKFZCDUUNBQR-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001160400536 1382094145 /nfs/dbraw/zinc/09/41/45/1382094145.db2.gz UPFKFZCDUUNBQR-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001160400536 1382094150 /nfs/dbraw/zinc/09/41/50/1382094150.db2.gz UPFKFZCDUUNBQR-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160400443 1382094310 /nfs/dbraw/zinc/09/43/10/1382094310.db2.gz QTGBRSKBPWEKRX-DPZZJQGRSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001160400443 1382094312 /nfs/dbraw/zinc/09/43/12/1382094312.db2.gz QTGBRSKBPWEKRX-DPZZJQGRSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001160400443 1382094313 /nfs/dbraw/zinc/09/43/13/1382094313.db2.gz QTGBRSKBPWEKRX-DPZZJQGRSA-N 2 1 347.547 3.356 20 0 EGADMP CC[C@H](C(=O)NCCC1=CC[N@@H+](CCCC2CCC2)CC1)[NH+](C)C ZINC001160479111 1382118094 /nfs/dbraw/zinc/11/80/94/1382118094.db2.gz ONFNFROERQJTRN-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CCCC2CCC2)CC1 ZINC001160501113 1382125101 /nfs/dbraw/zinc/12/51/01/1382125101.db2.gz XBQVRGITTSEBLT-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](CCCC2CCC2)CC1 ZINC001160501113 1382125105 /nfs/dbraw/zinc/12/51/05/1382125105.db2.gz XBQVRGITTSEBLT-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001160501113 1382125114 /nfs/dbraw/zinc/12/51/14/1382125114.db2.gz XBQVRGITTSEBLT-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CCC2CCCC2)CC1 ZINC001160500742 1382125345 /nfs/dbraw/zinc/12/53/45/1382125345.db2.gz RRWBIZZNDGUDKW-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001160500742 1382125349 /nfs/dbraw/zinc/12/53/49/1382125349.db2.gz RRWBIZZNDGUDKW-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCC2CCCC2)CC1 ZINC001160500742 1382125350 /nfs/dbraw/zinc/12/53/50/1382125350.db2.gz RRWBIZZNDGUDKW-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567586 1382144458 /nfs/dbraw/zinc/14/44/58/1382144458.db2.gz GHTUFUBXMSXWLB-AZUAARDMSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160567586 1382144462 /nfs/dbraw/zinc/14/44/62/1382144462.db2.gz GHTUFUBXMSXWLB-AZUAARDMSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160567586 1382144468 /nfs/dbraw/zinc/14/44/68/1382144468.db2.gz GHTUFUBXMSXWLB-AZUAARDMSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567589 1382144670 /nfs/dbraw/zinc/14/46/70/1382144670.db2.gz GHTUFUBXMSXWLB-UYAOXDASSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160567589 1382144672 /nfs/dbraw/zinc/14/46/72/1382144672.db2.gz GHTUFUBXMSXWLB-UYAOXDASSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160567589 1382144676 /nfs/dbraw/zinc/14/46/76/1382144676.db2.gz GHTUFUBXMSXWLB-UYAOXDASSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160568448 1382145145 /nfs/dbraw/zinc/14/51/45/1382145145.db2.gz VDFWUHWGYVSEBX-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160568448 1382145150 /nfs/dbraw/zinc/14/51/50/1382145150.db2.gz VDFWUHWGYVSEBX-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160568448 1382145154 /nfs/dbraw/zinc/14/51/54/1382145154.db2.gz VDFWUHWGYVSEBX-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160786898 1382195866 /nfs/dbraw/zinc/19/58/66/1382195866.db2.gz HLXMNXFTMGWVHK-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001160786622 1382196177 /nfs/dbraw/zinc/19/61/77/1382196177.db2.gz AQHNSEXPCNURNL-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CC1CC(C[N@@H+]2CC=C(CCNC(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001160855948 1382217072 /nfs/dbraw/zinc/21/70/72/1382217072.db2.gz DDZKZCQIOQLSON-UHFFFAOYSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)CC[NH2+]1 ZINC001161015944 1382272760 /nfs/dbraw/zinc/27/27/60/1382272760.db2.gz MSBXQRGFVNGQQO-QAPCUYQASA-N 2 1 349.906 3.077 20 0 EGADMP C[NH+](C)CCCC(=O)NCCC1=CC[N@@H+](CC2CCCCCC2)CC1 ZINC001161029662 1382277643 /nfs/dbraw/zinc/27/76/43/1382277643.db2.gz QMEPURMTMOIKGD-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001161207281 1382341743 /nfs/dbraw/zinc/34/17/43/1382341743.db2.gz RTKZHXZSFLNCBW-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001161207281 1382341733 /nfs/dbraw/zinc/34/17/33/1382341733.db2.gz RTKZHXZSFLNCBW-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001161207281 1382341740 /nfs/dbraw/zinc/34/17/40/1382341740.db2.gz RTKZHXZSFLNCBW-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001161207279 1382341919 /nfs/dbraw/zinc/34/19/19/1382341919.db2.gz RTKZHXZSFLNCBW-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001161207279 1382341926 /nfs/dbraw/zinc/34/19/26/1382341926.db2.gz RTKZHXZSFLNCBW-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001161207279 1382341931 /nfs/dbraw/zinc/34/19/31/1382341931.db2.gz RTKZHXZSFLNCBW-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@@H](C(=O)NCCC1=CC[N@@H+](CCC(C)C)CC1)[NH+](CC)CC ZINC001161214306 1382344423 /nfs/dbraw/zinc/34/44/23/1382344423.db2.gz YKGDYDSIBDUJFR-IBGZPJMESA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161219666 1382346347 /nfs/dbraw/zinc/34/63/47/1382346347.db2.gz KHKUEJRUZGUOQL-WAYWQWQTSA-N 2 1 347.547 3.213 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001161219666 1382346352 /nfs/dbraw/zinc/34/63/52/1382346352.db2.gz KHKUEJRUZGUOQL-WAYWQWQTSA-N 2 1 347.547 3.213 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001161219666 1382346356 /nfs/dbraw/zinc/34/63/56/1382346356.db2.gz KHKUEJRUZGUOQL-WAYWQWQTSA-N 2 1 347.547 3.213 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)c1ccccc1 ZINC001161229134 1382349857 /nfs/dbraw/zinc/34/98/57/1382349857.db2.gz FXVOEQQUQYMFJI-LNLFQRSKSA-N 2 1 331.504 3.059 20 0 EGADMP Cc1c[nH+]c(NCC2CC[NH+](CC3CCC3)CC2)nc1NC1CC1 ZINC001161229483 1382349988 /nfs/dbraw/zinc/34/99/88/1382349988.db2.gz XHPBCLAXBBTUMP-UHFFFAOYSA-N 2 1 329.492 3.283 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)c1ccccc1 ZINC001161229133 1382350169 /nfs/dbraw/zinc/35/01/69/1382350169.db2.gz FXVOEQQUQYMFJI-JENIJYKNSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391060 1382396058 /nfs/dbraw/zinc/39/60/58/1382396058.db2.gz OHGDXZFQSVPGBV-ICSRJNTNSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161391060 1382396064 /nfs/dbraw/zinc/39/60/64/1382396064.db2.gz OHGDXZFQSVPGBV-ICSRJNTNSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161391060 1382396068 /nfs/dbraw/zinc/39/60/68/1382396068.db2.gz OHGDXZFQSVPGBV-ICSRJNTNSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+](CC)CC(=O)NCCC1=CC[N@@H+](C[C@H](C)CC(C)C)CC1 ZINC001161505017 1382425876 /nfs/dbraw/zinc/42/58/76/1382425876.db2.gz YGUXVUAMTIOIMH-GOSISDBHSA-N 2 1 337.552 3.149 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(F)cc1 ZINC001161518675 1382428861 /nfs/dbraw/zinc/42/88/61/1382428861.db2.gz MFWSRLGNNJYBRO-UHFFFAOYSA-N 2 1 349.494 3.075 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1=CC[NH+](CCC2=CCCCC2)CC1 ZINC001161755293 1382496123 /nfs/dbraw/zinc/49/61/23/1382496123.db2.gz VCIWKGQUCCMDFT-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@H+](CCC2=CCCCC2)CC1 ZINC001161755293 1382496126 /nfs/dbraw/zinc/49/61/26/1382496126.db2.gz VCIWKGQUCCMDFT-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@@H+](CCC2=CCCCC2)CC1 ZINC001161755293 1382496129 /nfs/dbraw/zinc/49/61/29/1382496129.db2.gz VCIWKGQUCCMDFT-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001161790126 1382506350 /nfs/dbraw/zinc/50/63/50/1382506350.db2.gz LPKIIJRCKYYTOE-NRFANRHFSA-N 2 1 347.547 3.047 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001161790126 1382506354 /nfs/dbraw/zinc/50/63/54/1382506354.db2.gz LPKIIJRCKYYTOE-NRFANRHFSA-N 2 1 347.547 3.047 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001161790126 1382506357 /nfs/dbraw/zinc/50/63/57/1382506357.db2.gz LPKIIJRCKYYTOE-NRFANRHFSA-N 2 1 347.547 3.047 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161938425 1382560889 /nfs/dbraw/zinc/56/08/89/1382560889.db2.gz MEEHMSGFOPIDSW-GOSISDBHSA-N 2 1 335.536 3.047 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161952952 1382569807 /nfs/dbraw/zinc/56/98/07/1382569807.db2.gz MEHRZUKPBHFYCK-RRFGBZISSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001161952952 1382569809 /nfs/dbraw/zinc/56/98/09/1382569809.db2.gz MEHRZUKPBHFYCK-RRFGBZISSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001161952952 1382569813 /nfs/dbraw/zinc/56/98/13/1382569813.db2.gz MEHRZUKPBHFYCK-RRFGBZISSA-N 2 1 347.547 3.356 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001328693121 1388810223 /nfs/dbraw/zinc/81/02/23/1388810223.db2.gz GRFUTLNKDOGMJV-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(N2C[C@@H]([NH3+])Cc3ccccc32)nc1 ZINC001162844839 1382892583 /nfs/dbraw/zinc/89/25/83/1382892583.db2.gz OLUGZQHRQFANPP-APWZRJJASA-N 2 1 336.483 3.478 20 0 EGADMP Cc1ccc2c(c1)[C@H](Nc1c[nH+]c3c(c1)CCCN3)CC21CC[NH2+]CC1 ZINC001163035366 1382952599 /nfs/dbraw/zinc/95/25/99/1382952599.db2.gz APVVKYGLLUYWAD-HXUWFJFHSA-N 2 1 348.494 3.214 20 0 EGADMP Brc1cccn2c(N[C@H]3C[NH2+]Cc4ccsc43)c[nH+]c12 ZINC001163228756 1382999273 /nfs/dbraw/zinc/99/92/73/1382999273.db2.gz CSSPLCDTXGBYGE-NSHDSACASA-N 2 1 349.257 3.415 20 0 EGADMP C1=CC[C@H](C[NH+]2CCC(Nc3nc(NC4CC4)cc[nH+]3)CC2)CC1 ZINC001163314377 1383019459 /nfs/dbraw/zinc/01/94/59/1383019459.db2.gz FDSGCKJUEHODCM-HNNXBMFYSA-N 2 1 327.476 3.284 20 0 EGADMP Cc1c[nH]c2nc[nH+]c(NC3CC[NH+](C[C@@H]4CC=CCC4)CC3)c12 ZINC001163315130 1383019622 /nfs/dbraw/zinc/01/96/22/1383019622.db2.gz KEBFWJXTRCWCDN-OAHLLOKOSA-N 2 1 325.460 3.499 20 0 EGADMP CC(C)[N@H+]1CC[C@H](Nc2cccc(OCC[NH+]3CCCC3)n2)[C@H](C)C1 ZINC001163366274 1383033414 /nfs/dbraw/zinc/03/34/14/1383033414.db2.gz TZOUTVHRIQRZGO-MSOLQXFVSA-N 2 1 346.519 3.087 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2c(C)cccc2C)C1 ZINC001164449964 1383188130 /nfs/dbraw/zinc/18/81/30/1383188130.db2.gz VTJASNXJPYVBMU-LJQANCHMSA-N 2 1 345.531 3.021 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001164455584 1383188388 /nfs/dbraw/zinc/18/83/88/1383188388.db2.gz DKUMSFXVAQAJOR-AEFFLSMTSA-N 2 1 349.494 3.105 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001164456378 1383188714 /nfs/dbraw/zinc/18/87/14/1383188714.db2.gz QQMGQDIONIJQSH-UYAOXDASSA-N 2 1 345.531 3.274 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])CN1c1[nH+]cnc2c1ccn2Cc1ccccc1 ZINC001164469297 1383189769 /nfs/dbraw/zinc/18/97/69/1383189769.db2.gz ZPKRBONTRQVKSH-RDJZCZTQSA-N 2 1 335.455 3.043 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4ccc5c(n4)C[NH2+]CC5)[C@H]3C2)cc1 ZINC001164486436 1383192045 /nfs/dbraw/zinc/19/20/45/1383192045.db2.gz NZQZRPBVIMHRFG-UFYCRDLUSA-N 2 1 348.494 3.050 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001164509195 1383194815 /nfs/dbraw/zinc/19/48/15/1383194815.db2.gz WOSLTXPEUGNCEG-IBGZPJMESA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001164540876 1383197691 /nfs/dbraw/zinc/19/76/91/1383197691.db2.gz QSVHRCOSAZFPBW-SFHVURJKSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001164574197 1383200633 /nfs/dbraw/zinc/20/06/33/1383200633.db2.gz AZAASTHDPWUTHY-PXNSSMCTSA-N 2 1 345.531 3.136 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CC3CC(C)(C)C3)CC2)CC[N@H+]1C ZINC001164583085 1383201935 /nfs/dbraw/zinc/20/19/35/1383201935.db2.gz SOAQYWKMQGBURJ-ZWKOTPCHSA-N 2 1 349.563 3.029 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CCCC3CCC3)CC2)CC[N@H+]1C ZINC001164582685 1383202184 /nfs/dbraw/zinc/20/21/84/1383202184.db2.gz MVYJRRIZMDMRMH-RBUKOAKNSA-N 2 1 349.563 3.173 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1cc(C[NH+](C)C)ccn1 ZINC001165202977 1383249153 /nfs/dbraw/zinc/24/91/53/1383249153.db2.gz QSYSKOPPHRTTSH-ZWKOTPCHSA-N 2 1 338.499 3.242 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001165334097 1383276232 /nfs/dbraw/zinc/27/62/32/1383276232.db2.gz VAXJVTFCVUDJTI-OOFWQKGWSA-N 2 1 335.536 3.093 20 0 EGADMP CCCNc1nc(NCC2C[NH+](Cc3ccccc3)C2)[nH+]cc1C ZINC001165413256 1383290717 /nfs/dbraw/zinc/29/07/17/1383290717.db2.gz PFVUVEPPXNSPIL-UHFFFAOYSA-N 2 1 325.460 3.151 20 0 EGADMP O=C(NCCC1(C[NH2+]CC2CCCC2)CC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001165728957 1383334063 /nfs/dbraw/zinc/33/40/63/1383334063.db2.gz WQLTWNITTDKZTL-OALUTQOASA-N 2 1 347.547 3.070 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001165735551 1383335123 /nfs/dbraw/zinc/33/51/23/1383335123.db2.gz CPAQADDGAVMQKS-ROUUACIJSA-N 2 1 335.536 3.070 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001165764752 1383341929 /nfs/dbraw/zinc/34/19/29/1383341929.db2.gz UNLCFWOYSBRMAZ-KRWDZBQOSA-N 2 1 337.552 3.173 20 0 EGADMP CCc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CCC[NH+](C)C)cc1 ZINC001328766144 1388851530 /nfs/dbraw/zinc/85/15/30/1388851530.db2.gz UAEPKZGHDTVQPS-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP C[N@@H+](CCC(=O)NCCC1(C[NH2+]CCC2CC2)CC1)C1CCCCC1 ZINC001166389174 1383417958 /nfs/dbraw/zinc/41/79/58/1383417958.db2.gz BXXWWVGYGBAFGM-UHFFFAOYSA-N 2 1 349.563 3.317 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385659 1383619047 /nfs/dbraw/zinc/61/90/47/1383619047.db2.gz MXCUMZLXBBRZBM-GOSISDBHSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001167472041 1383643338 /nfs/dbraw/zinc/64/33/38/1383643338.db2.gz RSJHDSVQMJSGPG-UHFFFAOYSA-N 2 1 334.508 3.073 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC001300214382 1383653217 /nfs/dbraw/zinc/65/32/17/1383653217.db2.gz QPDOPSMSABHALE-INIZCTEOSA-N 2 1 338.455 3.306 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001167628365 1383693177 /nfs/dbraw/zinc/69/31/77/1383693177.db2.gz ZTGAUVPYXZJCSP-ACBHZAAOSA-N 2 1 337.552 3.172 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001167636622 1383695240 /nfs/dbraw/zinc/69/52/40/1383695240.db2.gz WFXXBCKGUJUHDI-UXHICEINSA-N 2 1 345.531 3.497 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001167814663 1383747535 /nfs/dbraw/zinc/74/75/35/1383747535.db2.gz AUVADTOARGIZDN-SFHVURJKSA-N 2 1 345.531 3.274 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](Oc2nccnc2C)C1 ZINC001167833916 1383753099 /nfs/dbraw/zinc/75/30/99/1383753099.db2.gz FWAPGLVZNQOYAO-FUHWJXTLSA-N 2 1 334.508 3.139 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC001167840755 1383755586 /nfs/dbraw/zinc/75/55/86/1383755586.db2.gz IIDNDAPDXQCKLB-MRXNPFEDSA-N 2 1 332.488 3.342 20 0 EGADMP [NH2+]=C(Nc1ccc(OC(F)(F)F)c2ncccc12)SCC[NH3+] ZINC001167912795 1383768423 /nfs/dbraw/zinc/76/84/23/1383768423.db2.gz RXGFYIYEHZLZFB-UHFFFAOYSA-N 2 1 330.335 3.172 20 0 EGADMP C(OC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1C[C@H]3C[C@H]3C1)C2)C1CC1 ZINC001167935721 1383771984 /nfs/dbraw/zinc/77/19/84/1383771984.db2.gz LJQBSRGSPQRUOU-LILSUDLASA-N 2 1 344.543 3.245 20 0 EGADMP C(OC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1C[C@H]3C[C@H]3C1)C2)C1CC1 ZINC001167935721 1383771988 /nfs/dbraw/zinc/77/19/88/1383771988.db2.gz LJQBSRGSPQRUOU-LILSUDLASA-N 2 1 344.543 3.245 20 0 EGADMP C(OC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1C[C@H]3C[C@H]3C1)C2)C1CC1 ZINC001167935721 1383771994 /nfs/dbraw/zinc/77/19/94/1383771994.db2.gz LJQBSRGSPQRUOU-LILSUDLASA-N 2 1 344.543 3.245 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167959444 1383779085 /nfs/dbraw/zinc/77/90/85/1383779085.db2.gz PTKKNVFFALBGQM-XCSKNGGISA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167959444 1383779088 /nfs/dbraw/zinc/77/90/88/1383779088.db2.gz PTKKNVFFALBGQM-XCSKNGGISA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167959444 1383779090 /nfs/dbraw/zinc/77/90/90/1383779090.db2.gz PTKKNVFFALBGQM-XCSKNGGISA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(CN2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167959444 1383779092 /nfs/dbraw/zinc/77/90/92/1383779092.db2.gz PTKKNVFFALBGQM-XCSKNGGISA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(CN2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167959444 1383779094 /nfs/dbraw/zinc/77/90/94/1383779094.db2.gz PTKKNVFFALBGQM-XCSKNGGISA-N 2 1 339.527 3.256 20 0 EGADMP COc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1OC ZINC001167962051 1383780032 /nfs/dbraw/zinc/78/00/32/1383780032.db2.gz SZZZWBYOHJUACK-YQQQUEKLSA-N 2 1 344.499 3.241 20 0 EGADMP CC(=O)N(C)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167961893 1383780547 /nfs/dbraw/zinc/78/05/47/1383780547.db2.gz PZKLDYNVZHIWBC-VCSGRIEYSA-N 2 1 341.499 3.164 20 0 EGADMP CC(=O)N(C)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167961893 1383780550 /nfs/dbraw/zinc/78/05/50/1383780550.db2.gz PZKLDYNVZHIWBC-VCSGRIEYSA-N 2 1 341.499 3.164 20 0 EGADMP C[NH+](C)C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167964614 1383780902 /nfs/dbraw/zinc/78/09/02/1383780902.db2.gz UYHSJTQPSRPJOV-VTHDOGFWSA-N 2 1 327.516 3.284 20 0 EGADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccc(Cl)c1 ZINC001167968201 1383781322 /nfs/dbraw/zinc/78/13/22/1383781322.db2.gz NWDGVLTXCQEMEJ-XVLXNVKGSA-N 2 1 334.891 3.368 20 0 EGADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc(Cl)c1 ZINC001167968201 1383781328 /nfs/dbraw/zinc/78/13/28/1383781328.db2.gz NWDGVLTXCQEMEJ-XVLXNVKGSA-N 2 1 334.891 3.368 20 0 EGADMP c1cnn(-c2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167967028 1383781682 /nfs/dbraw/zinc/78/16/82/1383781682.db2.gz AFVWCLVTDKFCTQ-IHWFROFDSA-N 2 1 336.483 3.367 20 0 EGADMP CCC[NH+](C1CCN(C(C)=O)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994771 1383790605 /nfs/dbraw/zinc/79/06/05/1383790605.db2.gz ODCQBJZAFPCTCY-WCRBZPEASA-N 2 1 347.547 3.115 20 0 EGADMP CCC[NH+](C1CCN(C(C)=O)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994771 1383790607 /nfs/dbraw/zinc/79/06/07/1383790607.db2.gz ODCQBJZAFPCTCY-WCRBZPEASA-N 2 1 347.547 3.115 20 0 EGADMP CCN(CC)C(=O)[C@H](C)[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168007793 1383794594 /nfs/dbraw/zinc/79/45/94/1383794594.db2.gz BHJDIIINJWJARV-KURKYZTESA-N 2 1 345.531 3.275 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009772 1383795850 /nfs/dbraw/zinc/79/58/50/1383795850.db2.gz IBRWFXNIONSBMX-YHELAOLJSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168009772 1383795854 /nfs/dbraw/zinc/79/58/54/1383795854.db2.gz IBRWFXNIONSBMX-YHELAOLJSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168009772 1383795861 /nfs/dbraw/zinc/79/58/61/1383795861.db2.gz IBRWFXNIONSBMX-YHELAOLJSA-N 2 1 329.532 3.359 20 0 EGADMP CC(=O)N1CCC[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168008726 1383795983 /nfs/dbraw/zinc/79/59/83/1383795983.db2.gz FXBPFPBJOAOOPA-HRQSHJORSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc[nH]c2=O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168020152 1383798516 /nfs/dbraw/zinc/79/85/16/1383798516.db2.gz KWMTXKXGLLOJKY-HGKCTWBKSA-N 2 1 325.456 3.318 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc[nH]c2=O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168020152 1383798517 /nfs/dbraw/zinc/79/85/17/1383798517.db2.gz KWMTXKXGLLOJKY-HGKCTWBKSA-N 2 1 325.456 3.318 20 0 EGADMP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168019374 1383798534 /nfs/dbraw/zinc/79/85/34/1383798534.db2.gz IKKBJQNYJAQYGH-GNBUJSLZSA-N 2 1 338.499 3.439 20 0 EGADMP O=C(NCCC[NH2+]CCCC1CCCC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168031331 1383800412 /nfs/dbraw/zinc/80/04/12/1383800412.db2.gz ZBEMCQSCUPTORA-RTBURBONSA-N 2 1 335.536 3.070 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039260 1383802349 /nfs/dbraw/zinc/80/23/49/1383802349.db2.gz CORSHCHCLZEEPI-BBPUYGCGSA-N 2 1 329.532 3.358 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039260 1383802352 /nfs/dbraw/zinc/80/23/52/1383802352.db2.gz CORSHCHCLZEEPI-BBPUYGCGSA-N 2 1 329.532 3.358 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039260 1383802357 /nfs/dbraw/zinc/80/23/57/1383802357.db2.gz CORSHCHCLZEEPI-BBPUYGCGSA-N 2 1 329.532 3.358 20 0 EGADMP C[C@@H]1CC(N2CCC[C@@H]3C[N@@H+](C)C[C@@H]32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065700 1383808344 /nfs/dbraw/zinc/80/83/44/1383808344.db2.gz XSWMHSXDDZQZHE-DBQGFPOUSA-N 2 1 341.543 3.454 20 0 EGADMP CCNC(=O)[C@@H]1CCC[N@@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168067985 1383809937 /nfs/dbraw/zinc/80/99/37/1383809937.db2.gz VZSZPDHWEWCHRM-HLIPFELVSA-N 2 1 343.515 3.029 20 0 EGADMP CCNC(=O)[C@@H]1CCC[N@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168067985 1383809940 /nfs/dbraw/zinc/80/99/40/1383809940.db2.gz VZSZPDHWEWCHRM-HLIPFELVSA-N 2 1 343.515 3.029 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NCCC2(C[NH2+]CC3CCC(C)(C)CC3)CC2)C1 ZINC001168137292 1383824852 /nfs/dbraw/zinc/82/48/52/1383824852.db2.gz MPHGAXKHSYPNNS-SFHVURJKSA-N 2 1 349.563 3.031 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1ccc(F)c(Cl)c1 ZINC001168274698 1383859756 /nfs/dbraw/zinc/85/97/56/1383859756.db2.gz GYJSRIDMQXIFFK-UHFFFAOYSA-N 2 1 325.815 3.385 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1ccc(F)c(Cl)c1 ZINC001168274698 1383859763 /nfs/dbraw/zinc/85/97/63/1383859763.db2.gz GYJSRIDMQXIFFK-UHFFFAOYSA-N 2 1 325.815 3.385 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001168290345 1383864276 /nfs/dbraw/zinc/86/42/76/1383864276.db2.gz DLMKAWLUTVRYQI-HDICACEKSA-N 2 1 347.547 3.236 20 0 EGADMP C[C@@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001168326596 1383873102 /nfs/dbraw/zinc/87/31/02/1383873102.db2.gz CBNBYMZQKVOXCZ-RYTJFDOTSA-N 2 1 339.524 3.189 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001168335629 1383875972 /nfs/dbraw/zinc/87/59/72/1383875972.db2.gz NFEOPEJCXPVEQR-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001168345281 1383879031 /nfs/dbraw/zinc/87/90/31/1383879031.db2.gz NKWYWBHUKLWYIY-UHFFFAOYSA-N 2 1 325.541 3.029 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+][C@H](C)c1ccccc1C ZINC001168363942 1383884614 /nfs/dbraw/zinc/88/46/14/1383884614.db2.gz YJUMHEXMTJSPCW-QGZVFWFLSA-N 2 1 342.487 3.137 20 0 EGADMP COC(=O)CCC[N@@H+](Cc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168373406 1383888063 /nfs/dbraw/zinc/88/80/63/1383888063.db2.gz RAHSYXYGVCTELU-UHFFFAOYSA-N 2 1 344.499 3.316 20 0 EGADMP O=C1OC2(CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)c2ccccc21 ZINC001168392807 1383894091 /nfs/dbraw/zinc/89/40/91/1383894091.db2.gz UMHGNLTWLWUKCA-UHFFFAOYSA-N 2 1 340.467 3.023 20 0 EGADMP CC[NH+](CC)CC[C@@H](C)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC001306909390 1383918981 /nfs/dbraw/zinc/91/89/81/1383918981.db2.gz KETJNIQELYPPAO-YLJYHZDGSA-N 2 1 345.531 3.346 20 0 EGADMP COc1ccc([C@@H]2C[C@H]([N@H+]3CCC4(C3)CC[NH+](C)CC4)CCO2)cc1 ZINC001168666899 1383964590 /nfs/dbraw/zinc/96/45/90/1383964590.db2.gz YMLUWPYBKXLZIC-QUCCMNQESA-N 2 1 344.499 3.333 20 0 EGADMP COC(=O)C1(C)CCC([N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])CC1 ZINC001168762820 1383994573 /nfs/dbraw/zinc/99/45/73/1383994573.db2.gz XANPYLDZCCNMNF-PPDQVPDSSA-N 2 1 332.488 3.205 20 0 EGADMP Cc1ccc(C(C)(C)Nc2cc[nH+]c(N3CCC([NH3+])CC3)n2)cc1 ZINC001168799886 1384010304 /nfs/dbraw/zinc/01/03/04/1384010304.db2.gz ISZUNXCWIFXXOS-UHFFFAOYSA-N 2 1 325.460 3.060 20 0 EGADMP COc1ccc2c(c1)c(C[C@H](C)[NH3+])cn2[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091730 1384104943 /nfs/dbraw/zinc/10/49/43/1384104943.db2.gz USUMMJDDLPIJPJ-LLLHUVSDSA-N 2 1 327.472 3.337 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccc(F)cc3F)CC1)C2 ZINC001169109037 1384108083 /nfs/dbraw/zinc/10/80/83/1384108083.db2.gz GUKVQHOMOSYOSB-REPLKXPHSA-N 2 1 349.469 3.144 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3ccc(F)cc3c3c1C[C@@H]([NH3+])CC3)C2 ZINC001169109421 1384108358 /nfs/dbraw/zinc/10/83/58/1384108358.db2.gz IFVQSXZNTFSAGD-CAOSSQGBSA-N 2 1 327.447 3.394 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001169110598 1384108521 /nfs/dbraw/zinc/10/85/21/1384108521.db2.gz NQNNACHNWOCRND-MZADTFQBSA-N 3 1 333.564 3.494 20 0 EGADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001169110598 1384108523 /nfs/dbraw/zinc/10/85/23/1384108523.db2.gz NQNNACHNWOCRND-MZADTFQBSA-N 2 1 333.564 3.494 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(Cc3ccc(F)cc3)CCOCC1)C2 ZINC001169116980 1384109061 /nfs/dbraw/zinc/10/90/61/1384109061.db2.gz VJSMUVMHCGZENI-OWZKRDHZSA-N 2 1 346.490 3.380 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169126559 1384111005 /nfs/dbraw/zinc/11/10/05/1384111005.db2.gz WIWOLRADRQNVRL-XLSPSMHOSA-N 2 1 349.519 3.087 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169126559 1384111007 /nfs/dbraw/zinc/11/10/07/1384111007.db2.gz WIWOLRADRQNVRL-XLSPSMHOSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169126559 1384111009 /nfs/dbraw/zinc/11/10/09/1384111009.db2.gz WIWOLRADRQNVRL-XLSPSMHOSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169126559 1384111012 /nfs/dbraw/zinc/11/10/12/1384111012.db2.gz WIWOLRADRQNVRL-XLSPSMHOSA-N 2 1 349.519 3.087 20 0 EGADMP CN([C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169155131 1384116096 /nfs/dbraw/zinc/11/60/96/1384116096.db2.gz YIIKUPJAXMWIBL-WOZUAGRISA-N 2 1 327.516 3.208 20 0 EGADMP CN([C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155131 1384116097 /nfs/dbraw/zinc/11/60/97/1384116097.db2.gz YIIKUPJAXMWIBL-WOZUAGRISA-N 2 1 327.516 3.208 20 0 EGADMP CN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155131 1384116099 /nfs/dbraw/zinc/11/60/99/1384116099.db2.gz YIIKUPJAXMWIBL-WOZUAGRISA-N 2 1 327.516 3.208 20 0 EGADMP CC1(C)CCC[C@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001308283093 1384116371 /nfs/dbraw/zinc/11/63/71/1384116371.db2.gz PXLGJKIYFUJKHH-FPOVZHCZSA-N 2 1 330.516 3.429 20 0 EGADMP CC1(C)CCC[C@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001308283093 1384116373 /nfs/dbraw/zinc/11/63/73/1384116373.db2.gz PXLGJKIYFUJKHH-FPOVZHCZSA-N 2 1 330.516 3.429 20 0 EGADMP CC[NH+]1CCC(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001169251742 1384127671 /nfs/dbraw/zinc/12/76/71/1384127671.db2.gz YWOVYJLIXPHKBJ-CTNGQTDRSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+](C)CCC(C)(C)Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001169717475 1384177708 /nfs/dbraw/zinc/17/77/08/1384177708.db2.gz ILQZXSXDSBFCMV-KRWDZBQOSA-N 3 1 343.519 3.493 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001169798928 1384187396 /nfs/dbraw/zinc/18/73/96/1384187396.db2.gz SYCKYMGYACBRRH-QUCCMNQESA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169982111 1384210129 /nfs/dbraw/zinc/21/01/29/1384210129.db2.gz JJBINWINICXQQY-INIZCTEOSA-N 2 1 333.520 3.494 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001170211122 1384265802 /nfs/dbraw/zinc/26/58/02/1384265802.db2.gz KJKZZIHJWFXKDH-KRWDZBQOSA-N 2 1 333.520 3.309 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001170211945 1384265957 /nfs/dbraw/zinc/26/59/57/1384265957.db2.gz SNSBJBCURNQFNO-UHFFFAOYSA-N 2 1 347.547 3.166 20 0 EGADMP CC[C@@H]1C[C@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CCO1 ZINC001170236334 1384273252 /nfs/dbraw/zinc/27/32/52/1384273252.db2.gz RPBRPPAQOACQEL-NHCUHLMSSA-N 2 1 328.500 3.467 20 0 EGADMP CC[C@@H]1C[C@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CCO1 ZINC001170236334 1384273257 /nfs/dbraw/zinc/27/32/57/1384273257.db2.gz RPBRPPAQOACQEL-NHCUHLMSSA-N 2 1 328.500 3.467 20 0 EGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001170432146 1384317750 /nfs/dbraw/zinc/31/77/50/1384317750.db2.gz QMRMQIKNKHKLOG-JQHSSLGASA-N 2 1 332.488 3.445 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)C1 ZINC001170540862 1384337509 /nfs/dbraw/zinc/33/75/09/1384337509.db2.gz UXXRYHIEJWEQPS-LMCOJAPRSA-N 2 1 344.499 3.076 20 0 EGADMP CC/C=C\CC[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001170868165 1384401647 /nfs/dbraw/zinc/40/16/47/1384401647.db2.gz PWIXMZVPCZXYNM-LIXSYLKWSA-N 2 1 331.504 3.132 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001170878335 1384403501 /nfs/dbraw/zinc/40/35/01/1384403501.db2.gz NNRZGQNKLAAVTH-SJORKVTESA-N 2 1 348.535 3.461 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC(C)C ZINC001170879262 1384403654 /nfs/dbraw/zinc/40/36/54/1384403654.db2.gz VWFLDSXAAQMRLR-DLBZAZTESA-N 2 1 336.524 3.317 20 0 EGADMP Fc1cccc2c1C[C@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC001170961635 1384418744 /nfs/dbraw/zinc/41/87/44/1384418744.db2.gz QTVBYNRVQVRSRA-PBVWOCPUSA-N 2 1 336.454 3.403 20 0 EGADMP Fc1cccc2c1C[C@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC001170961635 1384418748 /nfs/dbraw/zinc/41/87/48/1384418748.db2.gz QTVBYNRVQVRSRA-PBVWOCPUSA-N 2 1 336.454 3.403 20 0 EGADMP Clc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC3CCOCC3)C1)C2 ZINC001171112693 1384448525 /nfs/dbraw/zinc/44/85/25/1384448525.db2.gz WZIGQGFBUWJNBC-WOJBJXKFSA-N 2 1 348.918 3.288 20 0 EGADMP Clc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC3CCOCC3)C1)C2 ZINC001171112693 1384448526 /nfs/dbraw/zinc/44/85/26/1384448526.db2.gz WZIGQGFBUWJNBC-WOJBJXKFSA-N 2 1 348.918 3.288 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171247742 1384477757 /nfs/dbraw/zinc/47/77/57/1384477757.db2.gz NUYAEOJERRGCII-XLIONFOSSA-N 2 1 349.563 3.458 20 0 EGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001171248943 1384478833 /nfs/dbraw/zinc/47/88/33/1384478833.db2.gz ZFQPEWPFPJJBJA-MSOLQXFVSA-N 2 1 325.541 3.314 20 0 EGADMP COc1ccc(Cl)c2c1C[C@H]([N@@H+]1CC[C@@]3(CC[NH+](C)C3)C1)CC2 ZINC001171325624 1384495326 /nfs/dbraw/zinc/49/53/26/1384495326.db2.gz BPQZMIPSPMDNIR-AUUYWEPGSA-N 2 1 334.891 3.234 20 0 EGADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1CC[C@@]3(CC[NH+](C)C3)C1)CC2 ZINC001171325624 1384495327 /nfs/dbraw/zinc/49/53/27/1384495327.db2.gz BPQZMIPSPMDNIR-AUUYWEPGSA-N 2 1 334.891 3.234 20 0 EGADMP COc1ccc(Cl)c2c1C[C@H]([NH+]1CC[C@@]3(CC[N@H+](C)C3)C1)CC2 ZINC001171325624 1384495328 /nfs/dbraw/zinc/49/53/28/1384495328.db2.gz BPQZMIPSPMDNIR-AUUYWEPGSA-N 2 1 334.891 3.234 20 0 EGADMP COc1ccc(Cl)c2c1C[C@H]([NH+]1CC[C@@]3(CC[N@@H+](C)C3)C1)CC2 ZINC001171325624 1384495329 /nfs/dbraw/zinc/49/53/29/1384495329.db2.gz BPQZMIPSPMDNIR-AUUYWEPGSA-N 2 1 334.891 3.234 20 0 EGADMP [NH3+]C1(c2cccnc2)CC[NH+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171411373 1384515665 /nfs/dbraw/zinc/51/56/65/1384515665.db2.gz HXRUJENUNZMPKV-KRWDZBQOSA-N 2 1 325.431 3.028 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@H]([NH3+])C2)C[C@@H]1C(C)(C)C ZINC001171583146 1384571782 /nfs/dbraw/zinc/57/17/82/1384571782.db2.gz WTLDSZLCROQABE-HRCADAONSA-N 2 1 339.524 3.224 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCC[C@H]([NH3+])C2)C[C@@H]1C(C)(C)C ZINC001171583146 1384571783 /nfs/dbraw/zinc/57/17/83/1384571783.db2.gz WTLDSZLCROQABE-HRCADAONSA-N 2 1 339.524 3.224 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001171586370 1384572614 /nfs/dbraw/zinc/57/26/14/1384572614.db2.gz NDTCGWAHCHWWCJ-MRXNPFEDSA-N 2 1 339.568 3.418 20 0 EGADMP COC(=O)C[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccc(O)cc1 ZINC001171625502 1384584698 /nfs/dbraw/zinc/58/46/98/1384584698.db2.gz KCCLQQQIOMLZBV-QGZVFWFLSA-N 2 1 348.487 3.237 20 0 EGADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171732690 1384618626 /nfs/dbraw/zinc/61/86/26/1384618626.db2.gz LETLTBJKSDXYMW-QKNQBKEWSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171732690 1384618627 /nfs/dbraw/zinc/61/86/27/1384618627.db2.gz LETLTBJKSDXYMW-QKNQBKEWSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](CC3CCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC001171738543 1384620641 /nfs/dbraw/zinc/62/06/41/1384620641.db2.gz KIMREQZGMXYLMT-JRGCBEDISA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](CC3CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171738543 1384620646 /nfs/dbraw/zinc/62/06/46/1384620646.db2.gz KIMREQZGMXYLMT-JRGCBEDISA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](CC3CCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171738543 1384620649 /nfs/dbraw/zinc/62/06/49/1384620649.db2.gz KIMREQZGMXYLMT-JRGCBEDISA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](CC3CCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171738543 1384620652 /nfs/dbraw/zinc/62/06/52/1384620652.db2.gz KIMREQZGMXYLMT-JRGCBEDISA-N 2 1 327.516 3.113 20 0 EGADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1Cc2cccc(F)c2C1 ZINC001171797717 1384641006 /nfs/dbraw/zinc/64/10/06/1384641006.db2.gz BFSQUYJPVHTDHK-IAGOWNOFSA-N 2 1 346.490 3.305 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171829347 1384653060 /nfs/dbraw/zinc/65/30/60/1384653060.db2.gz YHJWWDUQVOEVIU-INIZCTEOSA-N 2 1 348.491 3.103 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171870789 1384666601 /nfs/dbraw/zinc/66/66/01/1384666601.db2.gz UWZOLNIAPVTVTC-ICSRJNTNSA-N 2 1 343.515 3.003 20 0 EGADMP CCOC(=O)C1(C)CCC([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001171945856 1384691738 /nfs/dbraw/zinc/69/17/38/1384691738.db2.gz CDFFLGSVAMZFRS-USZBZKHASA-N 2 1 336.520 3.480 20 0 EGADMP CCOC(=O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967731 1384697935 /nfs/dbraw/zinc/69/79/35/1384697935.db2.gz BBCMJYDMNVWVNB-GOSISDBHSA-N 2 1 332.488 3.363 20 0 EGADMP CC1(C)C[C@H]([NH2+]C[C@@H](O)c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC001171974724 1384701103 /nfs/dbraw/zinc/70/11/03/1384701103.db2.gz AKNYMGROYHYGJO-WOJBJXKFSA-N 2 1 339.483 3.148 20 0 EGADMP CC1(C)C[C@@H]([NH2+]Cc2ccc[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC001171984604 1384704356 /nfs/dbraw/zinc/70/43/56/1384704356.db2.gz WKILQUCCFRPGOT-SFHVURJKSA-N 2 1 325.456 3.320 20 0 EGADMP CC1(C)C[C@@H]([NH2+]Cc2ccc[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC001171984604 1384704361 /nfs/dbraw/zinc/70/43/61/1384704361.db2.gz WKILQUCCFRPGOT-SFHVURJKSA-N 2 1 325.456 3.320 20 0 EGADMP CC1(C)C[C@H](N2CCc3[nH+]ccn3CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171987888 1384705149 /nfs/dbraw/zinc/70/51/49/1384705149.db2.gz LMJGKVOQPFPHAQ-LJQANCHMSA-N 2 1 338.499 3.184 20 0 EGADMP CC1(C)C[C@H](N2CCc3[nH+]ccn3CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987888 1384705151 /nfs/dbraw/zinc/70/51/51/1384705151.db2.gz LMJGKVOQPFPHAQ-LJQANCHMSA-N 2 1 338.499 3.184 20 0 EGADMP C[NH+](C)C[C@@H]1CCCN1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988233 1384705816 /nfs/dbraw/zinc/70/58/16/1384705816.db2.gz PMUOKKNBKARVCU-PMACEKPBSA-N 2 1 329.532 3.456 20 0 EGADMP CN1CCC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172061589 1384714727 /nfs/dbraw/zinc/71/47/27/1384714727.db2.gz HQBBWLOAWFJWQN-BURNTYAHSA-N 2 1 327.516 3.256 20 0 EGADMP C[N@@H+]1CCC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061589 1384714729 /nfs/dbraw/zinc/71/47/29/1384714729.db2.gz HQBBWLOAWFJWQN-BURNTYAHSA-N 2 1 327.516 3.256 20 0 EGADMP C[N@H+]1CCC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061589 1384714732 /nfs/dbraw/zinc/71/47/32/1384714732.db2.gz HQBBWLOAWFJWQN-BURNTYAHSA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+]1CCC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172061589 1384714734 /nfs/dbraw/zinc/71/47/34/1384714734.db2.gz HQBBWLOAWFJWQN-BURNTYAHSA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+]1CCC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172061589 1384714737 /nfs/dbraw/zinc/71/47/37/1384714737.db2.gz HQBBWLOAWFJWQN-BURNTYAHSA-N 2 1 327.516 3.256 20 0 EGADMP CC(C)[C@](C)([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(N)=O ZINC001172066283 1384717207 /nfs/dbraw/zinc/71/72/07/1384717207.db2.gz UUSJJUWYYGJIJG-HUUJSLGLSA-N 2 1 343.515 3.062 20 0 EGADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@H]1O ZINC001172069288 1384718780 /nfs/dbraw/zinc/71/87/80/1384718780.db2.gz OSXBNCCTVNUVEY-QNDFHXLGSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@H]1O ZINC001172069288 1384718783 /nfs/dbraw/zinc/71/87/83/1384718783.db2.gz OSXBNCCTVNUVEY-QNDFHXLGSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@H]1O ZINC001172069288 1384718788 /nfs/dbraw/zinc/71/87/88/1384718788.db2.gz OSXBNCCTVNUVEY-QNDFHXLGSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@H]1O ZINC001172069288 1384718799 /nfs/dbraw/zinc/71/87/99/1384718799.db2.gz OSXBNCCTVNUVEY-QNDFHXLGSA-N 2 1 328.500 3.275 20 0 EGADMP C[NH+](C)C1(C)CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172076315 1384719519 /nfs/dbraw/zinc/71/95/19/1384719519.db2.gz XTOSSVVEZWTHSR-ACDBMABISA-N 2 1 327.516 3.208 20 0 EGADMP CC[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172076752 1384720548 /nfs/dbraw/zinc/72/05/48/1384720548.db2.gz HNNLPYLSZZWCCD-AERCQKQUSA-N 2 1 327.516 3.210 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1)[NH+](C)C ZINC001316948758 1384721634 /nfs/dbraw/zinc/72/16/34/1384721634.db2.gz VPDXLVACMKQBRL-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP OC[C@@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172078995 1384721864 /nfs/dbraw/zinc/72/18/64/1384721864.db2.gz KPHAOTCWHXKEFT-WOZUAGRISA-N 2 1 328.500 3.419 20 0 EGADMP OC[C@@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172078995 1384721868 /nfs/dbraw/zinc/72/18/68/1384721868.db2.gz KPHAOTCWHXKEFT-WOZUAGRISA-N 2 1 328.500 3.419 20 0 EGADMP OC[C@@H]1CCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172078995 1384721869 /nfs/dbraw/zinc/72/18/69/1384721869.db2.gz KPHAOTCWHXKEFT-WOZUAGRISA-N 2 1 328.500 3.419 20 0 EGADMP OC[C@@H]1CCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172078995 1384721872 /nfs/dbraw/zinc/72/18/72/1384721872.db2.gz KPHAOTCWHXKEFT-WOZUAGRISA-N 2 1 328.500 3.419 20 0 EGADMP C[N@@H+](CCC1OCCO1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172083180 1384722173 /nfs/dbraw/zinc/72/21/73/1384722173.db2.gz OBLHHRUQYUCFAD-PMOLBWCYSA-N 2 1 344.499 3.267 20 0 EGADMP C[NH+](CCC1OCCO1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172083180 1384722175 /nfs/dbraw/zinc/72/21/75/1384722175.db2.gz OBLHHRUQYUCFAD-PMOLBWCYSA-N 2 1 344.499 3.267 20 0 EGADMP C[NH+](CCC1OCCO1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172083180 1384722176 /nfs/dbraw/zinc/72/21/76/1384722176.db2.gz OBLHHRUQYUCFAD-PMOLBWCYSA-N 2 1 344.499 3.267 20 0 EGADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC4(C2)CCOC4)C3)cc1 ZINC001172080328 1384723092 /nfs/dbraw/zinc/72/30/92/1384723092.db2.gz TXTSTYUTGBMXKJ-PMOLBWCYSA-N 2 1 326.484 3.294 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC4(C2)CCOC4)C3)cc1 ZINC001172080328 1384723103 /nfs/dbraw/zinc/72/31/03/1384723103.db2.gz TXTSTYUTGBMXKJ-PMOLBWCYSA-N 2 1 326.484 3.294 20 0 EGADMP COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CCC2 ZINC001172111203 1384729049 /nfs/dbraw/zinc/72/90/49/1384729049.db2.gz UBKKZSAYNZBXJN-DMUMMCEESA-N 2 1 342.483 3.456 20 0 EGADMP COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001172111203 1384729052 /nfs/dbraw/zinc/72/90/52/1384729052.db2.gz UBKKZSAYNZBXJN-DMUMMCEESA-N 2 1 342.483 3.456 20 0 EGADMP Cc1ncc(Br)cc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172117113 1384733496 /nfs/dbraw/zinc/73/34/96/1384733496.db2.gz KIYAEIAYUDYUSL-PHZGNYQRSA-N 2 1 338.293 3.257 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CC1)OC(=O)c1ccccc13)C2 ZINC001172123619 1384734376 /nfs/dbraw/zinc/73/43/76/1384734376.db2.gz HEJVAHLSCHLTNW-FVQHAEBGSA-N 2 1 340.467 3.163 20 0 EGADMP CCCc1noc(C2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC001172127019 1384736553 /nfs/dbraw/zinc/73/65/53/1384736553.db2.gz FSWXJYVGAUXGHJ-BJWYYQGGSA-N 2 1 332.492 3.217 20 0 EGADMP CCCc1noc(C2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC001172127019 1384736554 /nfs/dbraw/zinc/73/65/54/1384736554.db2.gz FSWXJYVGAUXGHJ-BJWYYQGGSA-N 2 1 332.492 3.217 20 0 EGADMP Cc1cccc(O[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172132815 1384737181 /nfs/dbraw/zinc/73/71/81/1384737181.db2.gz OLUAQFSAMGAVPU-FCGDIQPGSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1cccc(O[C@@H]2CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172132815 1384737182 /nfs/dbraw/zinc/73/71/82/1384737182.db2.gz OLUAQFSAMGAVPU-FCGDIQPGSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172132815 1384737186 /nfs/dbraw/zinc/73/71/86/1384737186.db2.gz OLUAQFSAMGAVPU-FCGDIQPGSA-N 2 1 329.488 3.249 20 0 EGADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172227160 1384752586 /nfs/dbraw/zinc/75/25/86/1384752586.db2.gz OCTSMBLIBUIHMF-IHWFROFDSA-N 2 1 332.463 3.432 20 0 EGADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172227160 1384752589 /nfs/dbraw/zinc/75/25/89/1384752589.db2.gz OCTSMBLIBUIHMF-IHWFROFDSA-N 2 1 332.463 3.432 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C1C[C@@H]3C=C[C@H](C1)O3)CC2 ZINC001172237433 1384753723 /nfs/dbraw/zinc/75/37/23/1384753723.db2.gz LTHKMUPCPKWDIW-AQDPXUSMSA-N 2 1 342.483 3.442 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC001172255171 1384756545 /nfs/dbraw/zinc/75/65/45/1384756545.db2.gz IWCLOEOPYHSYEN-HXUWFJFHSA-N 2 1 330.516 3.442 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC001172255171 1384756550 /nfs/dbraw/zinc/75/65/50/1384756550.db2.gz IWCLOEOPYHSYEN-HXUWFJFHSA-N 2 1 330.516 3.442 20 0 EGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+]([C@H]1COC(C)(C)C1)CC2 ZINC001172285947 1384760166 /nfs/dbraw/zinc/76/01/66/1384760166.db2.gz WFDQVHFXQVIGDY-LJQANCHMSA-N 2 1 343.515 3.326 20 0 EGADMP CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001172313783 1384767788 /nfs/dbraw/zinc/76/77/88/1384767788.db2.gz AGDSBACKZWSSRD-QZTJIDSGSA-N 2 1 334.504 3.202 20 0 EGADMP CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001172319176 1384768708 /nfs/dbraw/zinc/76/87/08/1384768708.db2.gz OYPKQFAQELPTHV-RTBURBONSA-N 2 1 347.547 3.117 20 0 EGADMP CC[C@@H](C)OCC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172336297 1384773406 /nfs/dbraw/zinc/77/34/06/1384773406.db2.gz MTUWFPWPWVQSSK-UKAVVXHISA-N 2 1 348.531 3.053 20 0 EGADMP CC[C@@H](C)OCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172336297 1384773408 /nfs/dbraw/zinc/77/34/08/1384773408.db2.gz MTUWFPWPWVQSSK-UKAVVXHISA-N 2 1 348.531 3.053 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C[C@H]1C ZINC001172369171 1384778719 /nfs/dbraw/zinc/77/87/19/1384778719.db2.gz PSVYMCYBDOOGOM-FLTCSQOGSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C[C@H]1C ZINC001172369171 1384778721 /nfs/dbraw/zinc/77/87/21/1384778721.db2.gz PSVYMCYBDOOGOM-FLTCSQOGSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001172579099 1384815060 /nfs/dbraw/zinc/81/50/60/1384815060.db2.gz VWWABIVMKDGWAV-UPJWGTAASA-N 2 1 328.834 3.433 20 0 EGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172579099 1384815063 /nfs/dbraw/zinc/81/50/63/1384815063.db2.gz VWWABIVMKDGWAV-UPJWGTAASA-N 2 1 328.834 3.433 20 0 EGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172579099 1384815065 /nfs/dbraw/zinc/81/50/65/1384815065.db2.gz VWWABIVMKDGWAV-UPJWGTAASA-N 2 1 328.834 3.433 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001172626343 1384822591 /nfs/dbraw/zinc/82/25/91/1384822591.db2.gz DLTPZAVORCWREJ-ZCNNSNEGSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172626343 1384822593 /nfs/dbraw/zinc/82/25/93/1384822593.db2.gz DLTPZAVORCWREJ-ZCNNSNEGSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172626343 1384822595 /nfs/dbraw/zinc/82/25/95/1384822595.db2.gz DLTPZAVORCWREJ-ZCNNSNEGSA-N 2 1 344.499 3.172 20 0 EGADMP CC(C)OC(=O)CC[C@@H](C)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172753160 1384843717 /nfs/dbraw/zinc/84/37/17/1384843717.db2.gz RZQOKNKYMOVLEJ-BHIYHBOVSA-N 2 1 347.503 3.274 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001172780016 1384850664 /nfs/dbraw/zinc/85/06/64/1384850664.db2.gz QUEJFNCITYGZQE-QYZOEREBSA-N 2 1 336.520 3.353 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001172780016 1384850666 /nfs/dbraw/zinc/85/06/66/1384850666.db2.gz QUEJFNCITYGZQE-QYZOEREBSA-N 2 1 336.520 3.353 20 0 EGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173055165 1384902503 /nfs/dbraw/zinc/90/25/03/1384902503.db2.gz RKUGXTVUOYSJPD-IAGOWNOFSA-N 2 1 341.540 3.486 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1)[NH+](C)C ZINC001317145072 1384913510 /nfs/dbraw/zinc/91/35/10/1384913510.db2.gz WVDWIWAUKNUXBZ-MSOLQXFVSA-N 2 1 339.568 3.227 20 0 EGADMP CCN(CC)C(=O)[C@@H]1CCC[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173108431 1384916281 /nfs/dbraw/zinc/91/62/81/1384916281.db2.gz KKLMQAMYZQBFCG-LMDPOFIKSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)CC1 ZINC001173111117 1384916908 /nfs/dbraw/zinc/91/69/08/1384916908.db2.gz SALXEGCVWWBORW-YNIZLOQISA-N 2 1 349.563 3.218 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCc3cnc(SC)nc3C2)CC1 ZINC001173113082 1384917977 /nfs/dbraw/zinc/91/79/77/1384917977.db2.gz IBFYEVJBIFRHMD-UHFFFAOYSA-N 2 1 334.533 3.210 20 0 EGADMP CC[N@H+]1CC[C@@H](n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)C1 ZINC001173355796 1384963562 /nfs/dbraw/zinc/96/35/62/1384963562.db2.gz WWENAEDWJVLTSK-CYBMUJFWSA-N 2 1 341.377 3.308 20 0 EGADMP Fc1cc2c(cc1F)CC([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001173478097 1384977928 /nfs/dbraw/zinc/97/79/28/1384977928.db2.gz LNVLASGDLIMMNU-WGMWDUQUSA-N 2 1 340.417 3.152 20 0 EGADMP Fc1cc2c(cc1F)CC([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001173478097 1384977932 /nfs/dbraw/zinc/97/79/32/1384977932.db2.gz LNVLASGDLIMMNU-WGMWDUQUSA-N 2 1 340.417 3.152 20 0 EGADMP C[C@@H]1CC([NH2+]CC[C@@H]2CCC[N@H+]2C)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173674786 1385001409 /nfs/dbraw/zinc/00/14/09/1385001409.db2.gz FECAMBHRLUNVHB-INMHGKMJSA-N 2 1 339.524 3.237 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001317269356 1385039122 /nfs/dbraw/zinc/03/91/22/1385039122.db2.gz CLJXMSHPXTZAKT-GJZGRUSLSA-N 2 1 346.450 3.001 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001317382193 1385108318 /nfs/dbraw/zinc/10/83/18/1385108318.db2.gz WCAJWHODFGJDGW-MOPGFXCFSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001317382193 1385108319 /nfs/dbraw/zinc/10/83/19/1385108319.db2.gz WCAJWHODFGJDGW-MOPGFXCFSA-N 2 1 345.531 3.321 20 0 EGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001174882331 1385164457 /nfs/dbraw/zinc/16/44/57/1385164457.db2.gz QJWOGSBVSJAOTN-QZTJIDSGSA-N 2 1 325.541 3.173 20 0 EGADMP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175273245 1385236905 /nfs/dbraw/zinc/23/69/05/1385236905.db2.gz QEBZNDBPJWLIPP-GOSISDBHSA-N 2 1 345.531 3.183 20 0 EGADMP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175273483 1385237783 /nfs/dbraw/zinc/23/77/83/1385237783.db2.gz SGSDZFNWSJUJNS-DKFQHHCZSA-N 2 1 337.552 3.339 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175273801 1385237908 /nfs/dbraw/zinc/23/79/08/1385237908.db2.gz WOPRCKZYXVTMEJ-SJORKVTESA-N 2 1 325.541 3.029 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH2+]CC1CCC1 ZINC001175529549 1385323078 /nfs/dbraw/zinc/32/30/78/1385323078.db2.gz YNDMQJGOKCPVLD-MRXNPFEDSA-N 2 1 334.508 3.071 20 0 EGADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001175564429 1385333034 /nfs/dbraw/zinc/33/30/34/1385333034.db2.gz AMLNCLBPXSPWKV-QGZVFWFLSA-N 2 1 336.524 3.317 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)CCCC[NH2+]CCC(C)C ZINC001175704316 1385378399 /nfs/dbraw/zinc/37/83/99/1385378399.db2.gz UTSPTIWHEKLSGW-QGZVFWFLSA-N 2 1 336.524 3.282 20 0 EGADMP CCCN(C(=O)C[NH+](C)CCC)[C@@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001317769754 1385460332 /nfs/dbraw/zinc/46/03/32/1385460332.db2.gz JYECLTRUGNFISX-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)C[N@H+](C)CCC)[C@@H]1CC[NH+](Cc2ccccc2C)C1 ZINC001317769754 1385460338 /nfs/dbraw/zinc/46/03/38/1385460338.db2.gz JYECLTRUGNFISX-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CCC)[C@@H]1CC[NH+](Cc2ccccc2C)C1 ZINC001317769754 1385460340 /nfs/dbraw/zinc/46/03/40/1385460340.db2.gz JYECLTRUGNFISX-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)CCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001317771322 1385463155 /nfs/dbraw/zinc/46/31/55/1385463155.db2.gz YQPJOPHLXHTBBN-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]C[C@H](C)CC(C)C ZINC001176024519 1385464050 /nfs/dbraw/zinc/46/40/50/1385464050.db2.gz PEVATYLTQSLVDC-MSOLQXFVSA-N 2 1 327.557 3.275 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCCCCF ZINC001176269760 1385533170 /nfs/dbraw/zinc/53/31/70/1385533170.db2.gz XVEVLOISTMSWQZ-QGZVFWFLSA-N 2 1 331.520 3.123 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]C/C=C\c1ccccc1 ZINC001176279642 1385537144 /nfs/dbraw/zinc/53/71/44/1385537144.db2.gz OQTYDHVQJUMHSJ-LMICACPXSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001176284737 1385538658 /nfs/dbraw/zinc/53/86/58/1385538658.db2.gz JROBPGOOPOJXMU-HZPDHXFCSA-N 2 1 347.494 3.028 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@H](C)CC(C)C ZINC001176283972 1385538728 /nfs/dbraw/zinc/53/87/28/1385538728.db2.gz CBXRBOUMZUDIOR-MSOLQXFVSA-N 2 1 327.557 3.275 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176285738 1385539169 /nfs/dbraw/zinc/53/91/69/1385539169.db2.gz QIEGTSKIVICZEW-BLGFXRMMSA-N 2 1 325.541 3.339 20 0 EGADMP CC[C@H](C(=O)N1CCC(C[N@@H+](C)C[C@H](C)CC(C)C)CC1)[NH+](C)C ZINC001317876539 1385556049 /nfs/dbraw/zinc/55/60/49/1385556049.db2.gz IDDGVIDYZGRZDM-IEBWSBKVSA-N 2 1 339.568 3.179 20 0 EGADMP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001176358831 1385562745 /nfs/dbraw/zinc/56/27/45/1385562745.db2.gz NELYECWGZWXGKA-BBCKOWNQSA-N 2 1 335.536 3.093 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176566148 1385627242 /nfs/dbraw/zinc/62/72/42/1385627242.db2.gz YWVKOIUXRNQUBQ-HKUYNNGSSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001176754452 1385684652 /nfs/dbraw/zinc/68/46/52/1385684652.db2.gz VZZXCRKKCMLLTJ-HOTGVXAUSA-N 2 1 347.494 3.027 20 0 EGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001176760150 1385686771 /nfs/dbraw/zinc/68/67/71/1385686771.db2.gz QJNGLWXLODHCDR-HKUYNNGSSA-N 2 1 333.520 3.354 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001176991413 1385765953 /nfs/dbraw/zinc/76/59/53/1385765953.db2.gz ATKISXPVWLHHDL-WOJBJXKFSA-N 2 1 343.515 3.034 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001318630363 1385805477 /nfs/dbraw/zinc/80/54/77/1385805477.db2.gz SHMXGJDVVANDIO-HZPDHXFCSA-N 2 1 334.533 3.158 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001318630363 1385805481 /nfs/dbraw/zinc/80/54/81/1385805481.db2.gz SHMXGJDVVANDIO-HZPDHXFCSA-N 2 1 334.533 3.158 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C[NH2+]CC2CCCCCC2)CCCC1 ZINC001318664193 1385824874 /nfs/dbraw/zinc/82/48/74/1385824874.db2.gz KPWVFXDAZACLLV-UHFFFAOYSA-N 2 1 337.552 3.317 20 0 EGADMP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001177334702 1385917553 /nfs/dbraw/zinc/91/75/53/1385917553.db2.gz XFKPRUIHVBLUHK-NRFANRHFSA-N 2 1 344.499 3.208 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(CCC[NH2+]CC2CC2)CC2CCCC2)CC[N@H+]1C ZINC001177395025 1385941911 /nfs/dbraw/zinc/94/19/11/1385941911.db2.gz ZAWSJTLMZKXSPO-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001177440679 1385958437 /nfs/dbraw/zinc/95/84/37/1385958437.db2.gz PKKSSBQKMQLYHY-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC001177483214 1385973489 /nfs/dbraw/zinc/97/34/89/1385973489.db2.gz JCUATRFBIPPJME-KRWDZBQOSA-N 2 1 326.444 3.090 20 0 EGADMP CC(C)c1ccccc1C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001319209186 1386006344 /nfs/dbraw/zinc/00/63/44/1386006344.db2.gz NJHHIOXIPNRNEY-PXNSSMCTSA-N 2 1 345.531 3.136 20 0 EGADMP O=c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c[nH]1 ZINC001178285080 1386180194 /nfs/dbraw/zinc/18/01/94/1386180194.db2.gz JRRGSCAWUJKXOA-VAMGGRTRSA-N 2 1 337.467 3.178 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]C[C@@H](C)CC ZINC001178633660 1386265383 /nfs/dbraw/zinc/26/53/83/1386265383.db2.gz CPZNPJVBICWNBX-ZWKOTPCHSA-N 2 1 325.541 3.173 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001178698206 1386281616 /nfs/dbraw/zinc/28/16/16/1386281616.db2.gz BRBAVGWWPPCIIW-KRWDZBQOSA-N 2 1 334.508 3.217 20 0 EGADMP Cc1cccc(C[NH2+]CCCCCCNC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001178827671 1386319626 /nfs/dbraw/zinc/31/96/26/1386319626.db2.gz MEYZRSIOQCKELH-FQEVSTJZSA-N 2 1 345.531 3.246 20 0 EGADMP CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001178921081 1386350237 /nfs/dbraw/zinc/35/02/37/1386350237.db2.gz VRJVUWDTDWCZBG-SFHVURJKSA-N 2 1 325.541 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]CC(C)C)C1 ZINC001179357412 1386462049 /nfs/dbraw/zinc/46/20/49/1386462049.db2.gz BDFYOGMONAYHAZ-GOSISDBHSA-N 2 1 325.541 3.031 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001179546583 1386512205 /nfs/dbraw/zinc/51/22/05/1386512205.db2.gz XCWZUWSOFGVZRG-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1cccc(C[NH2+]CCCCCCNC(=O)C[N@@H+]2CCC[C@H]2C)c1 ZINC001179580645 1386522478 /nfs/dbraw/zinc/52/24/78/1386522478.db2.gz KYOJYHVJWIJBFU-LJQANCHMSA-N 2 1 345.531 3.246 20 0 EGADMP Cc1cccc(C[NH2+]CCCCCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001179585259 1386523463 /nfs/dbraw/zinc/52/34/63/1386523463.db2.gz FNTJANSVWNODLM-LJQANCHMSA-N 2 1 345.531 3.103 20 0 EGADMP CCCC[NH2+]CCCCCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001179589898 1386524904 /nfs/dbraw/zinc/52/49/04/1386524904.db2.gz DXFSUGLOZJKWPG-IBGZPJMESA-N 2 1 343.531 3.265 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001179746011 1386570087 /nfs/dbraw/zinc/57/00/87/1386570087.db2.gz LASMNKVTGCFJER-IBGZPJMESA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC[C@@H](C)F ZINC001179746080 1386570398 /nfs/dbraw/zinc/57/03/98/1386570398.db2.gz NZFODLISTGPYHP-MSOLQXFVSA-N 2 1 343.531 3.264 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC001320364968 1386589218 /nfs/dbraw/zinc/58/92/18/1386589218.db2.gz SQEPMURKFLRPHR-HZPDHXFCSA-N 2 1 341.499 3.355 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2CC)[C@@H]1C ZINC001179976058 1386655131 /nfs/dbraw/zinc/65/51/31/1386655131.db2.gz GVVYMUULRYOYQW-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCCCCC[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001180065519 1386685450 /nfs/dbraw/zinc/68/54/50/1386685450.db2.gz QQZZPMNGTWAGAI-GOSISDBHSA-N 2 1 325.541 3.175 20 0 EGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)CC[N@H+](C)CCC ZINC001180118129 1386702477 /nfs/dbraw/zinc/70/24/77/1386702477.db2.gz WOVPPZYGJOYULU-VOTSOKGWSA-N 2 1 325.541 3.341 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001180274851 1386752090 /nfs/dbraw/zinc/75/20/90/1386752090.db2.gz YTXOFIQTMVPMOJ-UHFFFAOYSA-N 2 1 334.508 3.038 20 0 EGADMP CCc1cccc(C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C)c1 ZINC001180369813 1386776753 /nfs/dbraw/zinc/77/67/53/1386776753.db2.gz YYUSCDFAGRRQET-UHFFFAOYSA-N 2 1 347.547 3.355 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001180372878 1386777873 /nfs/dbraw/zinc/77/78/73/1386777873.db2.gz KHBJZFJLCBBJPS-GOSISDBHSA-N 2 1 325.541 3.317 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001180372858 1386777976 /nfs/dbraw/zinc/77/79/76/1386777976.db2.gz JNBVBXZGVSEZMA-FQEVSTJZSA-N 2 1 345.531 3.327 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(-c2cnn(C)c2)cc1 ZINC001321069244 1386799250 /nfs/dbraw/zinc/79/92/50/1386799250.db2.gz AFIXFEDHHGHYPM-KRWDZBQOSA-N 2 1 326.488 3.441 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@]1(C)C[NH2+]CC1=CCCCC1 ZINC001181930499 1387078826 /nfs/dbraw/zinc/07/88/26/1387078826.db2.gz AKRYLFBPNLGHCX-YFVAEKQCSA-N 2 1 347.547 3.045 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001181997165 1387089516 /nfs/dbraw/zinc/08/95/16/1387089516.db2.gz GCWNXQLPYFKSFF-IBGZPJMESA-N 2 1 329.488 3.309 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001322274949 1387134344 /nfs/dbraw/zinc/13/43/44/1387134344.db2.gz RZDYBNPZKMBCRT-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001322274949 1387134347 /nfs/dbraw/zinc/13/43/47/1387134347.db2.gz RZDYBNPZKMBCRT-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001322274949 1387134349 /nfs/dbraw/zinc/13/43/49/1387134349.db2.gz RZDYBNPZKMBCRT-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182589515 1387192408 /nfs/dbraw/zinc/19/24/08/1387192408.db2.gz HAEWMMZJJKXOTF-RBUKOAKNSA-N 2 1 349.563 3.412 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001182692614 1387207611 /nfs/dbraw/zinc/20/76/11/1387207611.db2.gz OQCZFOBYNZPOBB-DLBZAZTESA-N 2 1 348.535 3.413 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC001336785653 1389168979 /nfs/dbraw/zinc/16/89/79/1389168979.db2.gz QRQQKRIJLNRAOT-XJKSGUPXSA-N 2 1 344.421 3.449 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001698718582 1406363259 /nfs/dbraw/zinc/36/32/59/1406363259.db2.gz ZXZUFYFYKIZNQB-SNRMKQJTSA-N 2 1 349.494 3.246 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@H]2CCCCC[N@H+]2Cc2ccccc2)CCC1 ZINC001329924514 1389261585 /nfs/dbraw/zinc/26/15/85/1389261585.db2.gz WIWFVTLWYXTNHY-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](CC2CC(C)C2)CC1 ZINC001698721619 1406367364 /nfs/dbraw/zinc/36/73/64/1406367364.db2.gz PLSKCWNUOJZTDY-LYBXBRPPSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC)C1CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC001330545436 1389451297 /nfs/dbraw/zinc/45/12/97/1389451297.db2.gz VIESAZZWOQXDDG-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001331124126 1389632885 /nfs/dbraw/zinc/63/28/85/1389632885.db2.gz OODJWQIIXISNLR-UHFFFAOYSA-N 2 1 345.406 3.067 20 0 EGADMP CC[C@]1(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC[NH2+]C1 ZINC001332093409 1389979447 /nfs/dbraw/zinc/97/94/47/1389979447.db2.gz JUSRMXWJAJGOKO-UTKZUKDTSA-N 2 1 343.515 3.067 20 0 EGADMP Cc1ccc(NC(=O)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1Cl ZINC001332423418 1390112773 /nfs/dbraw/zinc/11/27/73/1390112773.db2.gz BDLTWBAEFTZERJ-UHFFFAOYSA-N 2 1 335.879 3.053 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC001332555225 1390134344 /nfs/dbraw/zinc/13/43/44/1390134344.db2.gz HAUPWSXRAJMBTH-GDBMZVCRSA-N 2 1 336.549 3.391 20 0 EGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)cc2)C1 ZINC001340107487 1390228042 /nfs/dbraw/zinc/22/80/42/1390228042.db2.gz YOOWTTJMJMGWEO-CRAIPNDOSA-N 2 1 347.503 3.109 20 0 EGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]([NH3+])C(C)(C)C ZINC001340242671 1390257518 /nfs/dbraw/zinc/25/75/18/1390257518.db2.gz VZKAOLRPGGYZCK-OALUTQOASA-N 2 1 345.531 3.121 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC001340515467 1390303624 /nfs/dbraw/zinc/30/36/24/1390303624.db2.gz OEBNVCVFJFZJLI-LSDHHAIUSA-N 2 1 329.488 3.299 20 0 EGADMP CC(C)C[C@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001341701026 1390519160 /nfs/dbraw/zinc/51/91/60/1390519160.db2.gz MPPATERGBNMGOJ-HOJAQTOUSA-N 2 1 345.531 3.261 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[NH2+]CC2)cc1 ZINC001342082986 1390569385 /nfs/dbraw/zinc/56/93/85/1390569385.db2.gz TULAXUPJTCIHNS-QGZVFWFLSA-N 2 1 331.504 3.038 20 0 EGADMP c1ccc(C2CCC(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC001343259927 1390703149 /nfs/dbraw/zinc/70/31/49/1390703149.db2.gz AHVIFCRFQPGDSO-BOWFFMLLSA-N 2 1 328.500 3.413 20 0 EGADMP c1ccc(C2CCC(C[NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC001343259927 1390703150 /nfs/dbraw/zinc/70/31/50/1390703150.db2.gz AHVIFCRFQPGDSO-BOWFFMLLSA-N 2 1 328.500 3.413 20 0 EGADMP CC(C)N(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cn1 ZINC001343334292 1390708003 /nfs/dbraw/zinc/70/80/03/1390708003.db2.gz RTLBMUVLGIHGEO-OTWHNJEPSA-N 2 1 330.520 3.088 20 0 EGADMP CSC[C@@H](CCO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001344032104 1390751458 /nfs/dbraw/zinc/75/14/58/1390751458.db2.gz OZTBOUMSFHZOQM-XUBOLADHSA-N 2 1 348.556 3.276 20 0 EGADMP Cn1cc(-c2ccc(C[N@@H+](CCC[NH3+])CC3CCCC3)cc2)cn1 ZINC001349326082 1391320967 /nfs/dbraw/zinc/32/09/67/1391320967.db2.gz SSFWLGQNMBSBHX-UHFFFAOYSA-N 2 1 326.488 3.428 20 0 EGADMP Cc1cnc2cc(C(=O)N3CCC[C@H]3CNc3cccc(C)[nH+]3)ccn12 ZINC001349788084 1391367059 /nfs/dbraw/zinc/36/70/59/1391367059.db2.gz VHPRQOYBAWCROQ-KRWDZBQOSA-N 2 1 349.438 3.063 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001479503282 1392259528 /nfs/dbraw/zinc/25/95/28/1392259528.db2.gz NDHTXCBAJPHOJQ-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001480739541 1392905128 /nfs/dbraw/zinc/90/51/28/1392905128.db2.gz QXNWYYDEJCCHKO-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001480739541 1392905131 /nfs/dbraw/zinc/90/51/31/1392905131.db2.gz QXNWYYDEJCCHKO-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001480739541 1392905134 /nfs/dbraw/zinc/90/51/34/1392905134.db2.gz QXNWYYDEJCCHKO-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC([C@@H](C)[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001481344590 1393169309 /nfs/dbraw/zinc/16/93/09/1393169309.db2.gz ZIWMEDYSUAKQOJ-IAGOWNOFSA-N 2 1 348.535 3.090 20 0 EGADMP CC(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccc(C(C)C)cc1 ZINC001481358745 1393180562 /nfs/dbraw/zinc/18/05/62/1393180562.db2.gz XTVWNYROWDGASB-VQTJNVASSA-N 2 1 345.531 3.307 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](CC2CCCCC2)C1)CC(C)(C)C ZINC001481537178 1394397496 /nfs/dbraw/zinc/39/74/96/1394397496.db2.gz KXUTXXLWJFUBGY-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1)CC(C)(C)C ZINC001481537178 1394397500 /nfs/dbraw/zinc/39/75/00/1394397500.db2.gz KXUTXXLWJFUBGY-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1)CC(C)(C)C ZINC001481537178 1394397506 /nfs/dbraw/zinc/39/75/06/1394397506.db2.gz KXUTXXLWJFUBGY-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC1C[NH+](CC2CCCCCC2)C1 ZINC001481647427 1394430919 /nfs/dbraw/zinc/43/09/19/1394430919.db2.gz DZMNFGLXYQNNLA-UHFFFAOYSA-N 2 1 346.519 3.025 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC001491119270 1394438363 /nfs/dbraw/zinc/43/83/63/1394438363.db2.gz CJVOHMKIDIWUAG-LJQANCHMSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001491128228 1394443827 /nfs/dbraw/zinc/44/38/27/1394443827.db2.gz KOPMQBZBDVELRX-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001491128228 1394443829 /nfs/dbraw/zinc/44/38/29/1394443829.db2.gz KOPMQBZBDVELRX-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001491128228 1394443833 /nfs/dbraw/zinc/44/38/33/1394443833.db2.gz KOPMQBZBDVELRX-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001491128232 1394444051 /nfs/dbraw/zinc/44/40/51/1394444051.db2.gz KOPMQBZBDVELRX-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001491128232 1394444053 /nfs/dbraw/zinc/44/40/53/1394444053.db2.gz KOPMQBZBDVELRX-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001491128232 1394444054 /nfs/dbraw/zinc/44/40/54/1394444054.db2.gz KOPMQBZBDVELRX-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]Cc1ccccc1 ZINC001698951235 1406692040 /nfs/dbraw/zinc/69/20/40/1406692040.db2.gz DZKXYACSNJIXTP-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001481748174 1394493513 /nfs/dbraw/zinc/49/35/13/1394493513.db2.gz GUMPDGCDTWXTFD-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001481748174 1394493516 /nfs/dbraw/zinc/49/35/16/1394493516.db2.gz GUMPDGCDTWXTFD-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001481748174 1394493519 /nfs/dbraw/zinc/49/35/19/1394493519.db2.gz GUMPDGCDTWXTFD-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001491302809 1394502097 /nfs/dbraw/zinc/50/20/97/1394502097.db2.gz YWGBMBDZWYKXAE-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001491302807 1394502297 /nfs/dbraw/zinc/50/22/97/1394502297.db2.gz YWGBMBDZWYKXAE-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)[C@@H](C)C1 ZINC001482433917 1394994176 /nfs/dbraw/zinc/99/41/76/1394994176.db2.gz MBNDCOUGBXSUFR-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001483913100 1395141847 /nfs/dbraw/zinc/14/18/47/1395141847.db2.gz SMKHKPUCZYATJE-AEFFLSMTSA-N 2 1 339.568 3.370 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C/C=C/c2ccccc2)[C@H](C)C1 ZINC001484982961 1395623732 /nfs/dbraw/zinc/62/37/32/1395623732.db2.gz USJRQWZREIYUAC-FFQNAWCLSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C/C=C/c2ccccc2)[C@H](C)C1 ZINC001484982961 1395623734 /nfs/dbraw/zinc/62/37/34/1395623734.db2.gz USJRQWZREIYUAC-FFQNAWCLSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)[C@H](C)C1 ZINC001484982961 1395623737 /nfs/dbraw/zinc/62/37/37/1395623737.db2.gz USJRQWZREIYUAC-FFQNAWCLSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1ccccc1F ZINC001698989635 1406776505 /nfs/dbraw/zinc/77/65/05/1406776505.db2.gz NFIGELPMCFHMNG-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1ccccc1F ZINC001698989635 1406776510 /nfs/dbraw/zinc/77/65/10/1406776510.db2.gz NFIGELPMCFHMNG-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccccc1F ZINC001698989635 1406776511 /nfs/dbraw/zinc/77/65/11/1406776511.db2.gz NFIGELPMCFHMNG-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC001698989635 1406776514 /nfs/dbraw/zinc/77/65/14/1406776514.db2.gz NFIGELPMCFHMNG-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC001486089382 1396176495 /nfs/dbraw/zinc/17/64/95/1396176495.db2.gz RNKZACYIOJXACZ-WBVHZDCISA-N 2 1 334.508 3.022 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001498142530 1396925841 /nfs/dbraw/zinc/92/58/41/1396925841.db2.gz HKBKHSSHSVPWCJ-INIZCTEOSA-N 2 1 348.535 3.282 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001690312131 1404468434 /nfs/dbraw/zinc/46/84/34/1404468434.db2.gz FKOKJJHBLFTETQ-YQQQUEKLSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001690312131 1404468435 /nfs/dbraw/zinc/46/84/35/1404468435.db2.gz FKOKJJHBLFTETQ-YQQQUEKLSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001690312131 1404468438 /nfs/dbraw/zinc/46/84/38/1404468438.db2.gz FKOKJJHBLFTETQ-YQQQUEKLSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001690392516 1404533907 /nfs/dbraw/zinc/53/39/07/1404533907.db2.gz ZOSSZHUECRYURN-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001690392516 1404533910 /nfs/dbraw/zinc/53/39/10/1404533910.db2.gz ZOSSZHUECRYURN-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001690392516 1404533913 /nfs/dbraw/zinc/53/39/13/1404533913.db2.gz ZOSSZHUECRYURN-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCC[N@H+]2CC2CCCCCC2)CC1 ZINC001690452399 1404578732 /nfs/dbraw/zinc/57/87/32/1404578732.db2.gz DFGJHFMHXGZXOP-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2C[NH2+]CCCC2CCCC2)C1 ZINC001690484336 1404600948 /nfs/dbraw/zinc/60/09/48/1404600948.db2.gz OVMJOEKQMBWHQQ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001690783209 1404731125 /nfs/dbraw/zinc/73/11/25/1404731125.db2.gz BIRYVPOEWWAHFR-VQTJNVASSA-N 2 1 345.531 3.162 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001690824390 1404760472 /nfs/dbraw/zinc/76/04/72/1404760472.db2.gz CJKUKVYDEYIVQP-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001690824390 1404760474 /nfs/dbraw/zinc/76/04/74/1404760474.db2.gz CJKUKVYDEYIVQP-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001690824390 1404760478 /nfs/dbraw/zinc/76/04/78/1404760478.db2.gz CJKUKVYDEYIVQP-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)Cc1cccc(F)c1 ZINC001691043337 1404954106 /nfs/dbraw/zinc/95/41/06/1404954106.db2.gz HLYUWGLDKUJJSM-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)Cc1cccc(F)c1 ZINC001691043337 1404954108 /nfs/dbraw/zinc/95/41/08/1404954108.db2.gz HLYUWGLDKUJJSM-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CC1CC[NH+](CC(=O)N(C)C[C@@H]2CC[N@H+]2CCCC2CCCC2)CC1 ZINC001691065889 1404992555 /nfs/dbraw/zinc/99/25/55/1404992555.db2.gz HZVMYJLIHHLPBD-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001725631051 1426299300 /nfs/dbraw/zinc/29/93/00/1426299300.db2.gz OEXCDPBHMKSYBZ-SJLPKXTDSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001725631051 1426299305 /nfs/dbraw/zinc/29/93/05/1426299305.db2.gz OEXCDPBHMKSYBZ-SJLPKXTDSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001725631051 1426299307 /nfs/dbraw/zinc/29/93/07/1426299307.db2.gz OEXCDPBHMKSYBZ-SJLPKXTDSA-N 2 1 339.568 3.370 20 0 EGADMP C[NH+]1CCC(CC(=O)NCC[N@@H+](CC2CCCCCC2)C2CC2)CC1 ZINC001691228053 1405167727 /nfs/dbraw/zinc/16/77/27/1405167727.db2.gz NQCUGWZEDYQIMT-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NCC[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001691889285 1405612606 /nfs/dbraw/zinc/61/26/06/1405612606.db2.gz ZKGHHQHAIIKPNC-INIZCTEOSA-N 2 1 349.544 3.052 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001731803291 1427969817 /nfs/dbraw/zinc/96/98/17/1427969817.db2.gz JVTONOWBKRKYOQ-PMACEKPBSA-N 2 1 345.531 3.449 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001731803291 1427969822 /nfs/dbraw/zinc/96/98/22/1427969822.db2.gz JVTONOWBKRKYOQ-PMACEKPBSA-N 2 1 345.531 3.449 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001731803291 1427969827 /nfs/dbraw/zinc/96/98/27/1427969827.db2.gz JVTONOWBKRKYOQ-PMACEKPBSA-N 2 1 345.531 3.449 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001698547605 1406145355 /nfs/dbraw/zinc/14/53/55/1406145355.db2.gz YQGICAPQGFHDOK-UXPWSPDFSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001698576702 1406185953 /nfs/dbraw/zinc/18/59/53/1406185953.db2.gz YMOYYGFOHVIODH-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001698576702 1406185955 /nfs/dbraw/zinc/18/59/55/1406185955.db2.gz YMOYYGFOHVIODH-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001698576702 1406185956 /nfs/dbraw/zinc/18/59/56/1406185956.db2.gz YMOYYGFOHVIODH-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001698585240 1406200441 /nfs/dbraw/zinc/20/04/41/1406200441.db2.gz LQSZPJWHOJLDGI-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001732055692 1428299271 /nfs/dbraw/zinc/29/92/71/1428299271.db2.gz YJGQPGBAZUEQNZ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001732055692 1428299273 /nfs/dbraw/zinc/29/92/73/1428299273.db2.gz YJGQPGBAZUEQNZ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001732055692 1428299274 /nfs/dbraw/zinc/29/92/74/1428299274.db2.gz YJGQPGBAZUEQNZ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)Cc2ccccc2C)C1 ZINC001732081800 1428337234 /nfs/dbraw/zinc/33/72/34/1428337234.db2.gz QRXDXBSHBXKWTG-LJQANCHMSA-N 2 1 345.531 3.007 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2C)C1 ZINC001732081800 1428337236 /nfs/dbraw/zinc/33/72/36/1428337236.db2.gz QRXDXBSHBXKWTG-LJQANCHMSA-N 2 1 345.531 3.007 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2C)C1 ZINC001732081800 1428337240 /nfs/dbraw/zinc/33/72/40/1428337240.db2.gz QRXDXBSHBXKWTG-LJQANCHMSA-N 2 1 345.531 3.007 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001732153193 1428396489 /nfs/dbraw/zinc/39/64/89/1428396489.db2.gz XZOAZWGGUMHISS-SGSXCFNPSA-N 2 1 347.547 3.045 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001732314219 1428526084 /nfs/dbraw/zinc/52/60/84/1428526084.db2.gz OHDAWTVUBWRPCI-ATZDWAIDSA-N 2 1 349.494 3.246 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+][C@@H](C)c2cccc(C)c2)CCCC1 ZINC001732400085 1428566096 /nfs/dbraw/zinc/56/60/96/1428566096.db2.gz VGNQSTRDCBCOKV-SFHVURJKSA-N 2 1 345.531 3.416 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCC2CC2)C1 ZINC001732526027 1428646018 /nfs/dbraw/zinc/64/60/18/1428646018.db2.gz BCJZHCCREWYYPW-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001699467824 1412838747 /nfs/dbraw/zinc/83/87/47/1412838747.db2.gz OGUUYQDTGUIFST-OALUTQOASA-N 2 1 345.531 3.224 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001699579861 1412935814 /nfs/dbraw/zinc/93/58/14/1412935814.db2.gz TXDBQTRENGWQOQ-UZLBHIALSA-N 2 1 343.515 3.025 20 0 EGADMP CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001699606802 1412970695 /nfs/dbraw/zinc/97/06/95/1412970695.db2.gz OSVPXUIBFFCNHF-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1nccn1CCCC(=O)N[C@]1(C)CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001699856856 1413288422 /nfs/dbraw/zinc/28/84/22/1413288422.db2.gz XZEOCKSIWLFAMB-YLJYHZDGSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@]1(C)CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC001699856856 1413288425 /nfs/dbraw/zinc/28/84/25/1413288425.db2.gz XZEOCKSIWLFAMB-YLJYHZDGSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@]1(C)CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001699856856 1413288426 /nfs/dbraw/zinc/28/84/26/1413288426.db2.gz XZEOCKSIWLFAMB-YLJYHZDGSA-N 2 1 348.535 3.235 20 0 EGADMP CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001699978959 1413424004 /nfs/dbraw/zinc/42/40/04/1413424004.db2.gz IRSYGWANEXEJJH-FHWLQOOXSA-N 2 1 337.552 3.027 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001700177764 1413587585 /nfs/dbraw/zinc/58/75/85/1413587585.db2.gz SRIXYPNHEQFQCE-IEBWSBKVSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+](CCC)C1 ZINC001700199109 1413640639 /nfs/dbraw/zinc/64/06/39/1413640639.db2.gz SYZHEWUKGUMODF-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+](CCC)C1 ZINC001700199109 1413640640 /nfs/dbraw/zinc/64/06/40/1413640640.db2.gz SYZHEWUKGUMODF-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+](CCC)C1 ZINC001700199109 1413640642 /nfs/dbraw/zinc/64/06/42/1413640642.db2.gz SYZHEWUKGUMODF-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001700203120 1413647121 /nfs/dbraw/zinc/64/71/21/1413647121.db2.gz HDICFEQLMYKPIF-KRWDZBQOSA-N 2 1 342.487 3.041 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)CCC[N@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001700203120 1413647124 /nfs/dbraw/zinc/64/71/24/1413647124.db2.gz HDICFEQLMYKPIF-KRWDZBQOSA-N 2 1 342.487 3.041 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCCCC[N@H+]2CC2CC2)CCCCC1 ZINC001700529692 1414195966 /nfs/dbraw/zinc/19/59/66/1414195966.db2.gz ZJKWHLLWOCUQKW-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001700903659 1414558766 /nfs/dbraw/zinc/55/87/66/1414558766.db2.gz IWXHWABYLJQVJX-OALUTQOASA-N 2 1 345.531 3.039 20 0 EGADMP C[C@@H]1CC2(CN1C(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+](CC1CC1)CC2 ZINC001707125475 1417211371 /nfs/dbraw/zinc/21/13/71/1417211371.db2.gz RJZGKDTYJUYPIT-QGZVFWFLSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1CCCCC1 ZINC001707450150 1417354249 /nfs/dbraw/zinc/35/42/49/1417354249.db2.gz ZMJABCKWNHVWFX-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001713060738 1417616629 /nfs/dbraw/zinc/61/66/29/1417616629.db2.gz IWCGLVQDMVTDGY-IIMWHKGRSA-N 2 1 347.547 3.330 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001713060738 1417616632 /nfs/dbraw/zinc/61/66/32/1417616632.db2.gz IWCGLVQDMVTDGY-IIMWHKGRSA-N 2 1 347.547 3.330 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001713060738 1417616635 /nfs/dbraw/zinc/61/66/35/1417616635.db2.gz IWCGLVQDMVTDGY-IIMWHKGRSA-N 2 1 347.547 3.330 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001713064341 1417623057 /nfs/dbraw/zinc/62/30/57/1417623057.db2.gz GIPHTFDDFQIKCZ-HXUWFJFHSA-N 2 1 349.563 3.413 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]([NH2+]CC1CCC(C)(C)CC1)C1CC1)C1CCC1 ZINC001713112154 1417674869 /nfs/dbraw/zinc/67/48/69/1417674869.db2.gz GIMIGEBTVSTISZ-IBGZPJMESA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001713222156 1417808530 /nfs/dbraw/zinc/80/85/30/1417808530.db2.gz XRVSPFHWHTVGCE-LJQANCHMSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001713222156 1417808535 /nfs/dbraw/zinc/80/85/35/1417808535.db2.gz XRVSPFHWHTVGCE-LJQANCHMSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC001713222156 1417808540 /nfs/dbraw/zinc/80/85/40/1417808540.db2.gz XRVSPFHWHTVGCE-LJQANCHMSA-N 2 1 345.531 3.055 20 0 EGADMP CC[C@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001713269022 1417878567 /nfs/dbraw/zinc/87/85/67/1417878567.db2.gz QIGGPLSSTXXABC-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001713269022 1417878570 /nfs/dbraw/zinc/87/85/70/1417878570.db2.gz QIGGPLSSTXXABC-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713276519 1417896849 /nfs/dbraw/zinc/89/68/49/1417896849.db2.gz WTJXCRCISHUDOE-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001713279873 1417906058 /nfs/dbraw/zinc/90/60/58/1417906058.db2.gz VPCIARVKXLWSOU-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001713279873 1417906061 /nfs/dbraw/zinc/90/60/61/1417906061.db2.gz VPCIARVKXLWSOU-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001713279873 1417906064 /nfs/dbraw/zinc/90/60/64/1417906064.db2.gz VPCIARVKXLWSOU-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001713279872 1417906250 /nfs/dbraw/zinc/90/62/50/1417906250.db2.gz VPCIARVKXLWSOU-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001713279872 1417906252 /nfs/dbraw/zinc/90/62/52/1417906252.db2.gz VPCIARVKXLWSOU-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001713279872 1417906255 /nfs/dbraw/zinc/90/62/55/1417906255.db2.gz VPCIARVKXLWSOU-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)[C@@H](C)c1cccc(C)c1 ZINC001713497704 1418210759 /nfs/dbraw/zinc/21/07/59/1418210759.db2.gz WIXGILQWMQDKBE-AZUAARDMSA-N 2 1 345.531 3.369 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)[C@@H](C)c1cccc(C)c1 ZINC001713497704 1418210765 /nfs/dbraw/zinc/21/07/65/1418210765.db2.gz WIXGILQWMQDKBE-AZUAARDMSA-N 2 1 345.531 3.369 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1C(C)C)[NH+](C)C ZINC001713514679 1418248157 /nfs/dbraw/zinc/24/81/57/1418248157.db2.gz GGIFIOCFZIVDHK-ICSRJNTNSA-N 2 1 345.531 3.231 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C[NH+](C)CCCC3CCC3)CC2)C1 ZINC001713766429 1418579917 /nfs/dbraw/zinc/57/99/17/1418579917.db2.gz ZOMBHEKFWVBNFF-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC(C[N@H+](C)CCCC3CCC3)CC2)C1 ZINC001713766429 1418579919 /nfs/dbraw/zinc/57/99/19/1418579919.db2.gz ZOMBHEKFWVBNFF-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC(C[N@@H+](C)CCCC3CCC3)CC2)C1 ZINC001713766429 1418579920 /nfs/dbraw/zinc/57/99/20/1418579920.db2.gz ZOMBHEKFWVBNFF-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CCc1ccc(C[NH+]2CCC(N(C)C(=O)CC[N@H+](C)CC)CC2)cc1 ZINC001713784208 1418600379 /nfs/dbraw/zinc/60/03/79/1418600379.db2.gz LRVCKRCUWWEVBS-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001713788377 1418605273 /nfs/dbraw/zinc/60/52/73/1418605273.db2.gz FGADGBMGEUKWPH-MISYRCLQSA-N 2 1 345.531 3.223 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001713890849 1418687154 /nfs/dbraw/zinc/68/71/54/1418687154.db2.gz CEKPSXFPWUMZLH-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001713890849 1418687156 /nfs/dbraw/zinc/68/71/56/1418687156.db2.gz CEKPSXFPWUMZLH-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001713890849 1418687157 /nfs/dbraw/zinc/68/71/57/1418687157.db2.gz CEKPSXFPWUMZLH-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001713897198 1418695647 /nfs/dbraw/zinc/69/56/47/1418695647.db2.gz HWUGMLKMPRPSDX-RBUKOAKNSA-N 2 1 345.531 3.260 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CC2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCCC2)c1 ZINC001714150742 1418957114 /nfs/dbraw/zinc/95/71/14/1418957114.db2.gz HGCCQAZLBKSDQH-IEBWSBKVSA-N 2 1 343.515 3.026 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001714154779 1418963350 /nfs/dbraw/zinc/96/33/50/1418963350.db2.gz ZIXVUWMGSAGSTR-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001714154779 1418963354 /nfs/dbraw/zinc/96/33/54/1418963354.db2.gz ZIXVUWMGSAGSTR-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001714154779 1418963356 /nfs/dbraw/zinc/96/33/56/1418963356.db2.gz ZIXVUWMGSAGSTR-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH2+]C1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001714191474 1418998108 /nfs/dbraw/zinc/99/81/08/1418998108.db2.gz NOMPNTDPFMLTFI-UHFFFAOYSA-N 2 1 337.552 3.314 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001714446999 1419178951 /nfs/dbraw/zinc/17/89/51/1419178951.db2.gz XUIYUUQBFMAMNX-OALUTQOASA-N 2 1 345.531 3.321 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH]cn1)[C@H](C)c1ccccc1C ZINC001714593034 1419341826 /nfs/dbraw/zinc/34/18/26/1419341826.db2.gz CYBKVFFCQKAMKI-IAGOWNOFSA-N 2 1 342.487 3.096 20 0 EGADMP CC[N@H+](CCNC(=O)[C@H](C)Cc1cnc[nH]1)[C@H](C)c1ccccc1C ZINC001714593034 1419341829 /nfs/dbraw/zinc/34/18/29/1419341829.db2.gz CYBKVFFCQKAMKI-IAGOWNOFSA-N 2 1 342.487 3.096 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H](C)Cc1cnc[nH]1)[C@H](C)c1ccccc1C ZINC001714593034 1419341833 /nfs/dbraw/zinc/34/18/33/1419341833.db2.gz CYBKVFFCQKAMKI-IAGOWNOFSA-N 2 1 342.487 3.096 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CC1CCCCC1 ZINC001714594508 1419344807 /nfs/dbraw/zinc/34/48/07/1419344807.db2.gz LQZTYRLOADCPRQ-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)CC1CCCCC1 ZINC001714594508 1419344809 /nfs/dbraw/zinc/34/48/09/1419344809.db2.gz LQZTYRLOADCPRQ-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001714881378 1419618564 /nfs/dbraw/zinc/61/85/64/1419618564.db2.gz AZNRSVNBTWUSEK-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001714881378 1419618565 /nfs/dbraw/zinc/61/85/65/1419618565.db2.gz AZNRSVNBTWUSEK-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001714881378 1419618568 /nfs/dbraw/zinc/61/85/68/1419618568.db2.gz AZNRSVNBTWUSEK-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)[NH2+]C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CCCCC1 ZINC001714977131 1419711694 /nfs/dbraw/zinc/71/16/94/1419711694.db2.gz IEXWGVAKHNLMJA-KRWDZBQOSA-N 2 1 325.541 3.027 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001715023887 1419755156 /nfs/dbraw/zinc/75/51/56/1419755156.db2.gz GUQCZHMBBSQEFU-RTBURBONSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001715023887 1419755157 /nfs/dbraw/zinc/75/51/57/1419755157.db2.gz GUQCZHMBBSQEFU-RTBURBONSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001715023887 1419755158 /nfs/dbraw/zinc/75/51/58/1419755158.db2.gz GUQCZHMBBSQEFU-RTBURBONSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(CC)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001715045820 1419786339 /nfs/dbraw/zinc/78/63/39/1419786339.db2.gz LDQODWDFFVLDCK-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001715045820 1419786342 /nfs/dbraw/zinc/78/63/42/1419786342.db2.gz LDQODWDFFVLDCK-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001715045820 1419786344 /nfs/dbraw/zinc/78/63/44/1419786344.db2.gz LDQODWDFFVLDCK-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@@H](CNC(=O)CC[N@@H+](C)CC)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001715079655 1419815884 /nfs/dbraw/zinc/81/58/84/1419815884.db2.gz AAWSIOVBPSQLEF-PKOBYXMFSA-N 2 1 349.494 3.029 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001715375257 1420071440 /nfs/dbraw/zinc/07/14/40/1420071440.db2.gz LTKYNIYXRXBYOW-KBPBESRZSA-N 2 1 348.878 3.043 20 0 EGADMP CCC[N@H+](C)CCC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001715485614 1420166204 /nfs/dbraw/zinc/16/62/04/1420166204.db2.gz TXDJNZSBAOANBQ-FQEVSTJZSA-N 2 1 345.531 3.260 20 0 EGADMP CCC[N@@H+](C)CCC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001715485614 1420166207 /nfs/dbraw/zinc/16/62/07/1420166207.db2.gz TXDJNZSBAOANBQ-FQEVSTJZSA-N 2 1 345.531 3.260 20 0 EGADMP Cc1cc(C)cc(C[N@H+](C)CCN(C)C(=O)CCC[NH+]2CCCC2)c1 ZINC001715540440 1420238227 /nfs/dbraw/zinc/23/82/27/1420238227.db2.gz VPEJJQKWSZBSMM-UHFFFAOYSA-N 2 1 345.531 3.070 20 0 EGADMP C[C@H](C[NH2+]CC1CCCCCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001715949023 1420416400 /nfs/dbraw/zinc/41/64/00/1420416400.db2.gz LAUPOXJFJWDNJQ-MRXNPFEDSA-N 2 1 325.541 3.029 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[NH2+][C@H](C)c1ccccc1C ZINC001715951312 1420418312 /nfs/dbraw/zinc/41/83/12/1420418312.db2.gz YYUAPSJNRMHQNJ-IAGOWNOFSA-N 2 1 342.487 3.136 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001715961120 1420427727 /nfs/dbraw/zinc/42/77/27/1420427727.db2.gz ZMODZSJNOUDBPK-APWZRJJASA-N 2 1 349.494 3.009 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715961120 1420427729 /nfs/dbraw/zinc/42/77/29/1420427729.db2.gz ZMODZSJNOUDBPK-APWZRJJASA-N 2 1 349.494 3.009 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001715961120 1420427730 /nfs/dbraw/zinc/42/77/30/1420427730.db2.gz ZMODZSJNOUDBPK-APWZRJJASA-N 2 1 349.494 3.009 20 0 EGADMP C[C@@H](C[N@@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001716043381 1420506822 /nfs/dbraw/zinc/50/68/22/1420506822.db2.gz WFDKISNEZPVJNW-HOTGVXAUSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001716407245 1420639138 /nfs/dbraw/zinc/63/91/38/1420639138.db2.gz DPQRAYDNYUJLSB-JTDSTZFVSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+][C@H](C)c1cccc(F)c1 ZINC001716414267 1420643641 /nfs/dbraw/zinc/64/36/41/1420643641.db2.gz XRNUGZXFTVOSNF-HUUCEWRRSA-N 2 1 346.450 3.001 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)CC1 ZINC001716728108 1420887092 /nfs/dbraw/zinc/88/70/92/1420887092.db2.gz OAPXVYQJPCFAFJ-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCc1cccc(C[N@@H+](C)CCCN(C)C(=O)C2([NH+](C)C)CCC2)c1 ZINC001717207904 1421178910 /nfs/dbraw/zinc/17/89/10/1421178910.db2.gz USOOVNQFFZENKJ-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](CC)CC)cc2C1 ZINC001717271162 1421228739 /nfs/dbraw/zinc/22/87/39/1421228739.db2.gz ZLSPTFWVVZNIKN-LJQANCHMSA-N 2 1 331.504 3.149 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@H+]1CCC1CC1 ZINC001717333641 1421269525 /nfs/dbraw/zinc/26/95/25/1421269525.db2.gz KDBIVZJULCTXIZ-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[NH+]1CCC1CC1 ZINC001717333641 1421269527 /nfs/dbraw/zinc/26/95/27/1421269527.db2.gz KDBIVZJULCTXIZ-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[NH+]1CCC1CC1 ZINC001717333641 1421269528 /nfs/dbraw/zinc/26/95/28/1421269528.db2.gz KDBIVZJULCTXIZ-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001717340995 1421278724 /nfs/dbraw/zinc/27/87/24/1421278724.db2.gz VYQNKJKQTHVWBR-DLBZAZTESA-N 2 1 331.504 3.025 20 0 EGADMP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)[C@@H](C)c1ccccc1F ZINC001717500822 1421444821 /nfs/dbraw/zinc/44/48/21/1421444821.db2.gz YEWTWQAAXFAJRS-SJORKVTESA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2c(C)cccc2C)[C@@H]1C ZINC001717859649 1421672101 /nfs/dbraw/zinc/67/21/01/1421672101.db2.gz CSRDBDCZWZLLFX-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2c(C)cccc2C)[C@@H]1C ZINC001717859649 1421672102 /nfs/dbraw/zinc/67/21/02/1421672102.db2.gz CSRDBDCZWZLLFX-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2c(C)cccc2C)[C@@H]1C ZINC001717859649 1421672103 /nfs/dbraw/zinc/67/21/03/1421672103.db2.gz CSRDBDCZWZLLFX-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCC2CCCC2)[C@H]1C ZINC001717859987 1421672519 /nfs/dbraw/zinc/67/25/19/1421672519.db2.gz HGRYWVBISKFIPO-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)[C@H]1C ZINC001717859987 1421672520 /nfs/dbraw/zinc/67/25/20/1421672520.db2.gz HGRYWVBISKFIPO-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)[C@H]1C ZINC001717859987 1421672521 /nfs/dbraw/zinc/67/25/21/1421672521.db2.gz HGRYWVBISKFIPO-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC1(C)CC[NH+](CC2CCCCCC2)CC1 ZINC001733361897 1429546714 /nfs/dbraw/zinc/54/67/14/1429546714.db2.gz KYVOPBODAMQXNY-UHFFFAOYSA-N 2 1 346.519 3.133 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@]1(C)CCC[NH+](CCCC(C)(C)C)C1 ZINC001733461995 1429688744 /nfs/dbraw/zinc/68/87/44/1429688744.db2.gz LDRZTDGBQPRGFC-FQEVSTJZSA-N 2 1 339.568 3.373 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]1(C)CCC[N@H+](CCCC(C)(C)C)C1 ZINC001733461995 1429688748 /nfs/dbraw/zinc/68/87/48/1429688748.db2.gz LDRZTDGBQPRGFC-FQEVSTJZSA-N 2 1 339.568 3.373 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]1(C)CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001733461995 1429688753 /nfs/dbraw/zinc/68/87/53/1429688753.db2.gz LDRZTDGBQPRGFC-FQEVSTJZSA-N 2 1 339.568 3.373 20 0 EGADMP CCC[NH+]1CCC(C)(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001724303543 1424788042 /nfs/dbraw/zinc/78/80/42/1424788042.db2.gz ZQNINAXVXFKDPW-IBGZPJMESA-N 2 1 345.531 3.308 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH+](CC3CCC3)C2)C1 ZINC001724859502 1425241979 /nfs/dbraw/zinc/24/19/79/1425241979.db2.gz AYCXTHHEJYNDCI-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](CC3CCC3)C2)C1 ZINC001724859502 1425241981 /nfs/dbraw/zinc/24/19/81/1425241981.db2.gz AYCXTHHEJYNDCI-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC001724859502 1425241987 /nfs/dbraw/zinc/24/19/87/1425241987.db2.gz AYCXTHHEJYNDCI-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001724864401 1425247356 /nfs/dbraw/zinc/24/73/56/1425247356.db2.gz SXMRGFDWVRTRQY-RBUKOAKNSA-N 2 1 337.552 3.079 20 0 EGADMP CCc1ccc(C[NH+](C)C[C@H]2CCCN2C(=O)CC[N@H+](C)CC)cc1 ZINC001725047299 1425477262 /nfs/dbraw/zinc/47/72/62/1425477262.db2.gz FZRZATRPDLLWAQ-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CC[NH+](C)CC)cc1 ZINC001725047299 1425477265 /nfs/dbraw/zinc/47/72/65/1425477265.db2.gz FZRZATRPDLLWAQ-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CC[NH+](C)CC)cc1 ZINC001725047299 1425477270 /nfs/dbraw/zinc/47/72/70/1425477270.db2.gz FZRZATRPDLLWAQ-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1C/C=C\c1ccccc1 ZINC001731543948 1427560006 /nfs/dbraw/zinc/56/00/06/1427560006.db2.gz OXDHCMUWGQMVRR-FNUUXAGOSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1 ZINC001731543948 1427560009 /nfs/dbraw/zinc/56/00/09/1427560009.db2.gz OXDHCMUWGQMVRR-FNUUXAGOSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1C/C=C\c1ccccc1 ZINC001731543948 1427560017 /nfs/dbraw/zinc/56/00/17/1427560017.db2.gz OXDHCMUWGQMVRR-FNUUXAGOSA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001731561066 1427597869 /nfs/dbraw/zinc/59/78/69/1427597869.db2.gz YQIUERUHXQHYBQ-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC001731561066 1427597875 /nfs/dbraw/zinc/59/78/75/1427597875.db2.gz YQIUERUHXQHYBQ-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001731561066 1427597878 /nfs/dbraw/zinc/59/78/78/1427597878.db2.gz YQIUERUHXQHYBQ-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2ccc(C)c(C)c2)C1 ZINC001731721621 1427791542 /nfs/dbraw/zinc/79/15/42/1427791542.db2.gz WATXGJSBAWNCNP-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001731721621 1427791545 /nfs/dbraw/zinc/79/15/45/1427791545.db2.gz WATXGJSBAWNCNP-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001731721621 1427791547 /nfs/dbraw/zinc/79/15/47/1427791547.db2.gz WATXGJSBAWNCNP-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001733670568 1429864322 /nfs/dbraw/zinc/86/43/22/1429864322.db2.gz LWFIFIZFHRWONY-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001733766134 1429988535 /nfs/dbraw/zinc/98/85/35/1429988535.db2.gz BYIAZGFEDBIXAJ-HXUWFJFHSA-N 2 1 343.515 3.033 20 0 EGADMP CC(C)c1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001734061450 1437855096 /nfs/dbraw/zinc/85/50/96/1437855096.db2.gz FDJWQAWLYQBOEG-XLIONFOSSA-N 2 1 347.547 3.333 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001734456192 1438113657 /nfs/dbraw/zinc/11/36/57/1438113657.db2.gz GXULZFCUHLVSOK-QFBILLFUSA-N 2 1 348.535 3.377 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001734456192 1438113658 /nfs/dbraw/zinc/11/36/58/1438113658.db2.gz GXULZFCUHLVSOK-QFBILLFUSA-N 2 1 348.535 3.377 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1cccc(F)c1 ZINC001751974571 1440129998 /nfs/dbraw/zinc/12/99/98/1440129998.db2.gz HTSBRERHJZDTPW-LPHOPBHVSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001751974571 1440129999 /nfs/dbraw/zinc/12/99/99/1440129999.db2.gz HTSBRERHJZDTPW-LPHOPBHVSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001751974571 1440130001 /nfs/dbraw/zinc/13/00/01/1440130001.db2.gz HTSBRERHJZDTPW-LPHOPBHVSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001752155418 1440146981 /nfs/dbraw/zinc/14/69/81/1440146981.db2.gz GQZPVMLPLJYNGR-QFBILLFUSA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001752158158 1440147888 /nfs/dbraw/zinc/14/78/88/1440147888.db2.gz UCIZUWQJWUGZGW-AZUAARDMSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001752158158 1440147889 /nfs/dbraw/zinc/14/78/89/1440147889.db2.gz UCIZUWQJWUGZGW-AZUAARDMSA-N 2 1 345.531 3.134 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001752181970 1440151118 /nfs/dbraw/zinc/15/11/18/1440151118.db2.gz REMSHCHAIPPDCE-MISYRCLQSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CC)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001752181970 1440151119 /nfs/dbraw/zinc/15/11/19/1440151119.db2.gz REMSHCHAIPPDCE-MISYRCLQSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CC)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001752181970 1440151121 /nfs/dbraw/zinc/15/11/21/1440151121.db2.gz REMSHCHAIPPDCE-MISYRCLQSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001752425673 1440177059 /nfs/dbraw/zinc/17/70/59/1440177059.db2.gz SIXFINFWZZUWLZ-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H](C[N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001752525762 1440192713 /nfs/dbraw/zinc/19/27/13/1440192713.db2.gz ODAOPTXKHVEOIW-RBUKOAKNSA-N 2 1 345.531 3.258 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H](C[N@@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001752525762 1440192714 /nfs/dbraw/zinc/19/27/14/1440192714.db2.gz ODAOPTXKHVEOIW-RBUKOAKNSA-N 2 1 345.531 3.258 20 0 EGADMP CCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001752822918 1440221832 /nfs/dbraw/zinc/22/18/32/1440221832.db2.gz QPNLNUKRUFQVGZ-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001752836953 1440228267 /nfs/dbraw/zinc/22/82/67/1440228267.db2.gz QEFOGOVLOZSFBU-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001752948847 1440251845 /nfs/dbraw/zinc/25/18/45/1440251845.db2.gz GGNLIKIPCATSBK-IHPCNDPISA-N 2 1 347.547 3.045 20 0 EGADMP CC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)CCC1CCCCC1 ZINC001753084385 1440295474 /nfs/dbraw/zinc/29/54/74/1440295474.db2.gz NDQVRXCNKPTJIV-UHFFFAOYSA-N 2 1 335.536 3.023 20 0 EGADMP CC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@@H](C)c1ccccc1F ZINC001753091033 1440298975 /nfs/dbraw/zinc/29/89/75/1440298975.db2.gz GOOWISQCMZQKIT-INIZCTEOSA-N 2 1 349.494 3.057 20 0 EGADMP CN(CC[NH2+]CCC1CCCCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001753203141 1440338516 /nfs/dbraw/zinc/33/85/16/1440338516.db2.gz SKQYUIWUFPOLPT-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)C1([NH+](C)C)CCC1)CC1CCCCC1 ZINC001753287005 1440349084 /nfs/dbraw/zinc/34/90/84/1440349084.db2.gz LVBNNQITODHPJP-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)CC1CCCC1 ZINC001753290414 1440349941 /nfs/dbraw/zinc/34/99/41/1440349941.db2.gz WOXLOBHHKWGCKT-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001753293363 1440351279 /nfs/dbraw/zinc/35/12/79/1440351279.db2.gz CVOOTWFUZYUUMD-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C(C)C ZINC001753293363 1440351280 /nfs/dbraw/zinc/35/12/80/1440351280.db2.gz CVOOTWFUZYUUMD-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C(C)C ZINC001753293363 1440351281 /nfs/dbraw/zinc/35/12/81/1440351281.db2.gz CVOOTWFUZYUUMD-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001753294276 1440351588 /nfs/dbraw/zinc/35/15/88/1440351588.db2.gz JGZUOCQNIFIDQW-PXNSSMCTSA-N 2 1 345.531 3.307 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1ccccc1 ZINC001753295542 1440352108 /nfs/dbraw/zinc/35/21/08/1440352108.db2.gz VYCBPZKHDJECHB-OALUTQOASA-N 2 1 345.531 3.276 20 0 EGADMP CC(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001753313244 1440357801 /nfs/dbraw/zinc/35/78/01/1440357801.db2.gz WGEOAGKOZCCNML-VQTJNVASSA-N 2 1 345.531 3.352 20 0 EGADMP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001753318510 1440361235 /nfs/dbraw/zinc/36/12/35/1440361235.db2.gz KPUYCPMUVCGTSC-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001753318510 1440361236 /nfs/dbraw/zinc/36/12/36/1440361236.db2.gz KPUYCPMUVCGTSC-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CCCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001753318510 1440361237 /nfs/dbraw/zinc/36/12/37/1440361237.db2.gz KPUYCPMUVCGTSC-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001753326675 1440366979 /nfs/dbraw/zinc/36/69/79/1440366979.db2.gz HYNIZDAOUSARMZ-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC1CC(C[N@H+]2CC[C@H](CCNC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001753328679 1440368129 /nfs/dbraw/zinc/36/81/29/1440368129.db2.gz YHUHVTOHEHDADK-XBMUEBEBSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001753334156 1440371303 /nfs/dbraw/zinc/37/13/03/1440371303.db2.gz CTWBUAAGRDGWHO-UXHICEINSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001753334156 1440371304 /nfs/dbraw/zinc/37/13/04/1440371304.db2.gz CTWBUAAGRDGWHO-UXHICEINSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001753334156 1440371305 /nfs/dbraw/zinc/37/13/05/1440371305.db2.gz CTWBUAAGRDGWHO-UXHICEINSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2ccc(F)cc2)C1)[NH+](C)C ZINC001753368899 1440386677 /nfs/dbraw/zinc/38/66/77/1440386677.db2.gz ZFVIJZBTMILMJW-MNEFBYGVSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+]([C@H](C)c2ccc(F)cc2)C1)[NH+](C)C ZINC001753368899 1440386678 /nfs/dbraw/zinc/38/66/78/1440386678.db2.gz ZFVIJZBTMILMJW-MNEFBYGVSA-N 2 1 349.494 3.054 20 0 EGADMP CCN(C(=O)CC[NH+]1CCCCC1)[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001753462276 1440411507 /nfs/dbraw/zinc/41/15/07/1440411507.db2.gz USGJDZVZHODTPB-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](CC)[NH2+]CC2=CCCCC2)C1 ZINC001753484101 1440417378 /nfs/dbraw/zinc/41/73/78/1440417378.db2.gz MSRVRERBHWWYNW-RTBURBONSA-N 2 1 335.536 3.093 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1(C[NH2+]CC2CCC2)CCCC1 ZINC001753503431 1440423972 /nfs/dbraw/zinc/42/39/72/1440423972.db2.gz GCQNCKICSJDCJL-INIZCTEOSA-N 2 1 346.519 3.215 20 0 EGADMP CC(C)CCC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001753523339 1440428953 /nfs/dbraw/zinc/42/89/53/1440428953.db2.gz HSWYUGMWMCFEDY-ZWOKBUDYSA-N 2 1 337.552 3.027 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@](C)(C[NH2+]CCC2CCCCC2)C2CC2)C1 ZINC001753527996 1440430136 /nfs/dbraw/zinc/43/01/36/1440430136.db2.gz KKXYYWWSFFLOJO-RXVVDRJESA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001753547871 1440434480 /nfs/dbraw/zinc/43/44/80/1440434480.db2.gz FZOWRPUZSGXYKM-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CC3CCCC3)C2)CC[N@H+]1C ZINC001753554346 1440435643 /nfs/dbraw/zinc/43/56/43/1440435643.db2.gz XSRYHHVYGWMRQD-IHPCNDPISA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001753586916 1440441474 /nfs/dbraw/zinc/44/14/74/1440441474.db2.gz GVEXNXXAEWGFOI-ULQDDVLXSA-N 2 1 349.494 3.246 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001753599656 1440446077 /nfs/dbraw/zinc/44/60/77/1440446077.db2.gz SBJSROLDOGOHDR-SFHVURJKSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001753616208 1440449757 /nfs/dbraw/zinc/44/97/57/1440449757.db2.gz AWXVLYZDTPWFRB-HKUYNNGSSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]CCC1CCCCCC1 ZINC001753637821 1440453618 /nfs/dbraw/zinc/45/36/18/1440453618.db2.gz ONNGCDXBZUJJKO-MJGOQNOKSA-N 2 1 337.552 3.031 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001753639486 1440454094 /nfs/dbraw/zinc/45/40/94/1440454094.db2.gz HBEXCBZPAAOILC-HKUYNNGSSA-N 2 1 349.563 3.031 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1CCCC1 ZINC001753699830 1440468200 /nfs/dbraw/zinc/46/82/00/1440468200.db2.gz DKCGWYUUXFTWMG-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCC2CCCC2)C1 ZINC001753709320 1440470168 /nfs/dbraw/zinc/47/01/68/1440470168.db2.gz WEAQHCQRPGGPAC-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC001753786596 1440488182 /nfs/dbraw/zinc/48/81/82/1440488182.db2.gz RJMSIHSJIFVENH-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@H]21 ZINC001753879036 1440520194 /nfs/dbraw/zinc/52/01/94/1440520194.db2.gz ZQMKWDVHFPHUMM-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]([NH2+]C/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001754173350 1440547396 /nfs/dbraw/zinc/54/73/96/1440547396.db2.gz LUVWEBAJKQYZDS-JGPFYOFESA-N 2 1 349.906 3.005 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC/C=C/C[NH2+][C@@H](C)c1ccccc1 ZINC001754178549 1440547819 /nfs/dbraw/zinc/54/78/19/1440547819.db2.gz QERMDKXIGOXIJO-OZSKJFCKSA-N 2 1 340.471 3.030 20 0 EGADMP C[C@H](C[N@@H+](C)CC1CCC(C)CC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001754314518 1440574781 /nfs/dbraw/zinc/57/47/81/1440574781.db2.gz DRGWERREFFJFMB-JLAWEPINSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001754400814 1440595184 /nfs/dbraw/zinc/59/51/84/1440595184.db2.gz IIWXRKHQAFGXLW-HXUWFJFHSA-N 2 1 345.531 3.196 20 0 EGADMP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001754538608 1440625508 /nfs/dbraw/zinc/62/55/08/1440625508.db2.gz MYURBCBSAMUVLO-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CCCCCC1 ZINC001754547809 1440628624 /nfs/dbraw/zinc/62/86/24/1440628624.db2.gz RPLDDWRTCKLQAY-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CCC(C)C)C2CCCC2)CC[N@H+]1C ZINC001754649338 1440651452 /nfs/dbraw/zinc/65/14/52/1440651452.db2.gz JBHSNZCERACIKX-GBESFXJTSA-N 2 1 337.552 3.027 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C2CCCC2)C1 ZINC001754655205 1440653195 /nfs/dbraw/zinc/65/31/95/1440653195.db2.gz ZMHJSPKYFDHOSF-AEFFLSMTSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CCCC1 ZINC001754655721 1440653422 /nfs/dbraw/zinc/65/34/22/1440653422.db2.gz SNJIVCXKKZRKBR-RBUKOAKNSA-N 2 1 337.552 3.170 20 0 EGADMP C[N@@H+](CC(=O)N[C@]1(C)CC[NH+](CCCC2CCCC2)C1)C1CCC1 ZINC001754675378 1440659605 /nfs/dbraw/zinc/65/96/05/1440659605.db2.gz ODDDAFOLUKLFAX-HXUWFJFHSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@]1(C)CC[N@H+](CCCC2CCCC2)C1)C1CCC1 ZINC001754675378 1440659606 /nfs/dbraw/zinc/65/96/06/1440659606.db2.gz ODDDAFOLUKLFAX-HXUWFJFHSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@]1(C)CC[N@@H+](CCCC2CCCC2)C1)C1CCC1 ZINC001754675378 1440659607 /nfs/dbraw/zinc/65/96/07/1440659607.db2.gz ODDDAFOLUKLFAX-HXUWFJFHSA-N 2 1 335.536 3.022 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001754730791 1440679068 /nfs/dbraw/zinc/67/90/68/1440679068.db2.gz YXXVWMYYBGWLFW-IZRJCCQOSA-N 2 1 349.563 3.293 20 0 EGADMP CC(C)=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001754838833 1440697309 /nfs/dbraw/zinc/69/73/09/1440697309.db2.gz QHJIPEKBVBNIIH-HXUWFJFHSA-N 2 1 343.515 3.055 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1 ZINC001754981663 1440721406 /nfs/dbraw/zinc/72/14/06/1440721406.db2.gz BAKNOTZVUDSEHP-IBGZPJMESA-N 2 1 347.547 3.380 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CCCC(C)(C)C)CC2)CC[N@H+]1C ZINC001755024432 1440728134 /nfs/dbraw/zinc/72/81/34/1440728134.db2.gz YLVANBSLZWJVKI-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](CCCC(C)(C)C)CC2)CC[NH+]1C ZINC001755024432 1440728135 /nfs/dbraw/zinc/72/81/35/1440728135.db2.gz YLVANBSLZWJVKI-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](CCCC(C)(C)C)CC2)CC[NH+]1C ZINC001755024432 1440728136 /nfs/dbraw/zinc/72/81/36/1440728136.db2.gz YLVANBSLZWJVKI-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001755027590 1440729549 /nfs/dbraw/zinc/72/95/49/1440729549.db2.gz CHMJGWZAQGYSAO-IBGZPJMESA-N 2 1 345.531 3.232 20 0 EGADMP CCC1([NH2+]C/C=C/Cl)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001755072927 1440747272 /nfs/dbraw/zinc/74/72/72/1440747272.db2.gz ZBUWMWWOHSEXFZ-JXMROGBWSA-N 2 1 343.943 3.078 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC(C)([NH2+]CC2CCCCCC2)CC1 ZINC001755136267 1440758329 /nfs/dbraw/zinc/75/83/29/1440758329.db2.gz RWZKHTLNZRCAMH-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001755209097 1440782730 /nfs/dbraw/zinc/78/27/30/1440782730.db2.gz IJPIVBCDHGXMJT-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP Cc1cccc(C)c1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001755254899 1440792895 /nfs/dbraw/zinc/79/28/95/1440792895.db2.gz AHAKRZYIOXFHKA-ZWKOTPCHSA-N 2 1 347.547 3.264 20 0 EGADMP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001755289382 1440803171 /nfs/dbraw/zinc/80/31/71/1440803171.db2.gz LTXQJZVFPLSYDO-QZTJIDSGSA-N 2 1 345.531 3.164 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCCCC[N@H+]2CC2=CCCCC2)CC1 ZINC001755367602 1440835295 /nfs/dbraw/zinc/83/52/95/1440835295.db2.gz GDQZZZPAQYRZGG-LJQANCHMSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[NH+]([C@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755414900 1440848147 /nfs/dbraw/zinc/84/81/47/1440848147.db2.gz CKYKVPGWSZIMGQ-QAPCUYQASA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[N@@H+]([C@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755414900 1440848148 /nfs/dbraw/zinc/84/81/48/1440848148.db2.gz CKYKVPGWSZIMGQ-QAPCUYQASA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[N@H+]([C@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755414900 1440848149 /nfs/dbraw/zinc/84/81/49/1440848149.db2.gz CKYKVPGWSZIMGQ-QAPCUYQASA-N 2 1 349.494 3.055 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC2(C1)CCC[N@@H+](CCC1=CCCCC1)C2 ZINC001755457115 1440856041 /nfs/dbraw/zinc/85/60/41/1440856041.db2.gz JZMNDZARYBLXFH-UHFFFAOYSA-N 2 1 347.547 3.143 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC2(C1)CCC[NH+](CC1CCC1)C2 ZINC001755457164 1440856048 /nfs/dbraw/zinc/85/60/48/1440856048.db2.gz LZIQMDKVFBATRK-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC2(C1)CCC[N@H+](CC1CCC1)C2 ZINC001755457164 1440856049 /nfs/dbraw/zinc/85/60/49/1440856049.db2.gz LZIQMDKVFBATRK-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC001755457164 1440856050 /nfs/dbraw/zinc/85/60/50/1440856050.db2.gz LZIQMDKVFBATRK-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001755534312 1440868700 /nfs/dbraw/zinc/86/87/00/1440868700.db2.gz JGDNGLABQBDYSM-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001755534312 1440868701 /nfs/dbraw/zinc/86/87/01/1440868701.db2.gz JGDNGLABQBDYSM-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001755534312 1440868702 /nfs/dbraw/zinc/86/87/02/1440868702.db2.gz JGDNGLABQBDYSM-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CCC1CCCC1)CC2 ZINC001755705205 1440902306 /nfs/dbraw/zinc/90/23/06/1440902306.db2.gz VWOYSZXNTVJEFI-QUCCMNQESA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1[N@H+](CCC1CCCC1)CC2 ZINC001755705205 1440902307 /nfs/dbraw/zinc/90/23/07/1440902307.db2.gz VWOYSZXNTVJEFI-QUCCMNQESA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1[N@@H+](CCC1CCCC1)CC2 ZINC001755705205 1440902308 /nfs/dbraw/zinc/90/23/08/1440902308.db2.gz VWOYSZXNTVJEFI-QUCCMNQESA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC3CCCC3)[C@@H]2C1 ZINC001755712522 1440904049 /nfs/dbraw/zinc/90/40/49/1440904049.db2.gz MSVBOWSPKFDTKC-ZCNNSNEGSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001755722815 1440908180 /nfs/dbraw/zinc/90/81/80/1440908180.db2.gz OSCZOTCMHHBPHC-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+][C@@H](CC)c2ccccc2)C(C)(C)C1 ZINC001755765558 1440916078 /nfs/dbraw/zinc/91/60/78/1440916078.db2.gz RMAAPVKWALEJTI-OALUTQOASA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)N(CC[N@@H+](C)CC1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001755812522 1440921298 /nfs/dbraw/zinc/92/12/98/1440921298.db2.gz RTSJZFQYXHSJNN-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)N(CC[NH+](C)CC1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001755812522 1440921299 /nfs/dbraw/zinc/92/12/99/1440921299.db2.gz RTSJZFQYXHSJNN-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)N(CC[NH+](C)CC1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001755812522 1440921300 /nfs/dbraw/zinc/92/13/00/1440921300.db2.gz RTSJZFQYXHSJNN-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001755858717 1440936198 /nfs/dbraw/zinc/93/61/98/1440936198.db2.gz ORGPEDSPGCAIKU-XIMCWOHTSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001755858715 1440936252 /nfs/dbraw/zinc/93/62/52/1440936252.db2.gz ORGPEDSPGCAIKU-RFEKHPBVSA-N 2 1 335.536 3.042 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]CCCC3CCCC3)C2)CC[N@H+]1C ZINC001755860925 1440936720 /nfs/dbraw/zinc/93/67/20/1440936720.db2.gz AAPHGRJAIOYWDJ-YUKKFIBKSA-N 2 1 349.563 3.266 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+]CCC2CCCCCC2)C1 ZINC001755864117 1440937445 /nfs/dbraw/zinc/93/74/45/1440937445.db2.gz YRIQMNFFZHWKCV-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(F)c1 ZINC001755901049 1440944050 /nfs/dbraw/zinc/94/40/50/1440944050.db2.gz BZXVDDPFXVZTBU-CRAIPNDOSA-N 2 1 349.494 3.062 20 0 EGADMP Cc1c[nH+]c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c(C)c1 ZINC001164859881 720961278 /nfs/dbraw/zinc/96/12/78/720961278.db2.gz OCNLIZKDTWGJFR-MRXNPFEDSA-N 2 1 327.476 3.316 20 0 EGADMP Cc1c[nH+]c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c(C)c1 ZINC001164859881 720961283 /nfs/dbraw/zinc/96/12/83/720961283.db2.gz OCNLIZKDTWGJFR-MRXNPFEDSA-N 2 1 327.476 3.316 20 0 EGADMP Nc1cc[nH+]c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995129 722191255 /nfs/dbraw/zinc/19/12/55/722191255.db2.gz RXYQOCIIACAPTL-IBGZPJMESA-N 2 1 326.419 3.048 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824584319 946827353 /nfs/dbraw/zinc/82/73/53/946827353.db2.gz ACDZFSXQPBAOPC-CVEARBPZSA-N 2 1 342.491 3.172 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000368578663 168376932 /nfs/dbraw/zinc/37/69/32/168376932.db2.gz OXAIVYFUGCCZIY-XUJQIHCRSA-N 2 1 338.442 3.037 20 0 EGADMP Cc1ncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000336713346 282152667 /nfs/dbraw/zinc/15/26/67/282152667.db2.gz MSTDQNVPDBCDQN-QZTJIDSGSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000336713346 282152670 /nfs/dbraw/zinc/15/26/70/282152670.db2.gz MSTDQNVPDBCDQN-QZTJIDSGSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000336713346 282152671 /nfs/dbraw/zinc/15/26/71/282152671.db2.gz MSTDQNVPDBCDQN-QZTJIDSGSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000336713346 282152672 /nfs/dbraw/zinc/15/26/72/282152672.db2.gz MSTDQNVPDBCDQN-QZTJIDSGSA-N 2 1 327.497 3.405 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@@]4(CCSC4)C3)CC2)cc1 ZINC000176387080 231636374 /nfs/dbraw/zinc/63/63/74/231636374.db2.gz NRLISOLXQMCSLJ-PMACEKPBSA-N 2 1 346.540 3.295 20 0 EGADMP C[N@H+](CCCc1cccc2ccccc21)CCCN1CC[NH+](C)CC1 ZINC000174717780 529896538 /nfs/dbraw/zinc/89/65/38/529896538.db2.gz SVUINNISJYNXNF-UHFFFAOYSA-N 2 1 339.527 3.342 20 0 EGADMP COCc1cc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1OC ZINC000178256428 232119319 /nfs/dbraw/zinc/11/93/19/232119319.db2.gz HATLOIGGOGXJQM-OAHLLOKOSA-N 2 1 332.488 3.367 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1C ZINC000178700263 232391825 /nfs/dbraw/zinc/39/18/25/232391825.db2.gz FOGQCHNARKYABR-ZBFHGGJFSA-N 2 1 342.487 3.451 20 0 EGADMP COc1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037408263 213144319 /nfs/dbraw/zinc/14/43/19/213144319.db2.gz CTDOFYTYWYQQCU-GFCCVEGCSA-N 2 1 339.277 3.032 20 0 EGADMP COc1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037408263 213144322 /nfs/dbraw/zinc/14/43/22/213144322.db2.gz CTDOFYTYWYQQCU-GFCCVEGCSA-N 2 1 339.277 3.032 20 0 EGADMP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]2CCCO[C@H]21 ZINC000246971761 243344449 /nfs/dbraw/zinc/34/44/49/243344449.db2.gz QEYFKPFDLVQENM-VAMGGRTRSA-N 2 1 328.500 3.444 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccnc1 ZINC000092740882 218163592 /nfs/dbraw/zinc/16/35/92/218163592.db2.gz YOASOBXSZLEITG-SJORKVTESA-N 2 1 325.456 3.153 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccnc1 ZINC000092740882 218163593 /nfs/dbraw/zinc/16/35/93/218163593.db2.gz YOASOBXSZLEITG-SJORKVTESA-N 2 1 325.456 3.153 20 0 EGADMP COCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683813 218242161 /nfs/dbraw/zinc/24/21/61/218242161.db2.gz AZNFBUXTEPGHLN-IBGZPJMESA-N 2 1 332.488 3.020 20 0 EGADMP COCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683813 218242164 /nfs/dbraw/zinc/24/21/64/218242164.db2.gz AZNFBUXTEPGHLN-IBGZPJMESA-N 2 1 332.488 3.020 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093770195 218249201 /nfs/dbraw/zinc/24/92/01/218249201.db2.gz IUECEMWPQCAENF-SFHVURJKSA-N 2 1 326.488 3.263 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093770195 218249204 /nfs/dbraw/zinc/24/92/04/218249204.db2.gz IUECEMWPQCAENF-SFHVURJKSA-N 2 1 326.488 3.263 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093770195 218249206 /nfs/dbraw/zinc/24/92/06/218249206.db2.gz IUECEMWPQCAENF-SFHVURJKSA-N 2 1 326.488 3.263 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093770195 218249210 /nfs/dbraw/zinc/24/92/10/218249210.db2.gz IUECEMWPQCAENF-SFHVURJKSA-N 2 1 326.488 3.263 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCOCc2ccccc2)[C@@H](C)C1 ZINC000268750418 252202188 /nfs/dbraw/zinc/20/21/88/252202188.db2.gz UVHSBDJHPDMANU-PZJWPPBQSA-N 2 1 348.531 3.320 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000268755764 252206153 /nfs/dbraw/zinc/20/61/53/252206153.db2.gz LPQMBZWPXBBFSD-HBGVWJBISA-N 2 1 342.458 3.359 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000268763155 252213901 /nfs/dbraw/zinc/21/39/01/252213901.db2.gz IFVYVDUTBJGXCT-ZYSHUDEJSA-N 2 1 344.503 3.494 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000268763155 252213905 /nfs/dbraw/zinc/21/39/05/252213905.db2.gz IFVYVDUTBJGXCT-ZYSHUDEJSA-N 2 1 344.503 3.494 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000268868672 252316748 /nfs/dbraw/zinc/31/67/48/252316748.db2.gz LBFXPVULDWSNIA-IRXDYDNUSA-N 2 1 342.487 3.015 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@H]1CCOC1 ZINC000164494660 533459838 /nfs/dbraw/zinc/45/98/38/533459838.db2.gz SOGUKHRWHSKDFA-APWZRJJASA-N 2 1 328.456 3.426 20 0 EGADMP C[C@H]1CCC[C@](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)([NH+](C)C)C1 ZINC000298257534 132388063 /nfs/dbraw/zinc/38/80/63/132388063.db2.gz FEMFSMOYFAKSAX-PXNSSMCTSA-N 3 1 330.520 3.151 20 0 EGADMP C[C@H](CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[C@@H]1CCC[NH2+]C1 ZINC000237557678 141007577 /nfs/dbraw/zinc/00/75/77/141007577.db2.gz NODCHSRCACGPEV-IYWMVGAKSA-N 2 1 349.563 3.125 20 0 EGADMP CCOC(=O)C1CCC([N@@H+](CC)CCCCn2ccnc2C)CC1 ZINC000338364664 141108416 /nfs/dbraw/zinc/10/84/16/141108416.db2.gz CLJJNPLDJZOETQ-UHFFFAOYSA-N 2 1 335.492 3.416 20 0 EGADMP CCOC(=O)C1CCC([N@H+](CC)CCCCn2cc[nH+]c2C)CC1 ZINC000338364664 141108417 /nfs/dbraw/zinc/10/84/17/141108417.db2.gz CLJJNPLDJZOETQ-UHFFFAOYSA-N 2 1 335.492 3.416 20 0 EGADMP CCOC(=O)C1CCC([N@@H+](CC)CCCCn2cc[nH+]c2C)CC1 ZINC000338364664 141108418 /nfs/dbraw/zinc/10/84/18/141108418.db2.gz CLJJNPLDJZOETQ-UHFFFAOYSA-N 2 1 335.492 3.416 20 0 EGADMP C[C@H](CN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C[NH+]1CCCC1 ZINC000677806389 549334990 /nfs/dbraw/zinc/33/49/90/549334990.db2.gz ZBGVMYZFMGSLFM-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1)C[NH+]1CCCC1 ZINC000677806389 549334994 /nfs/dbraw/zinc/33/49/94/549334994.db2.gz ZBGVMYZFMGSLFM-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H]3C[C@H](OC(C)C)C3(C)C)CC2)nc(C)[nH+]1 ZINC000185235358 144108255 /nfs/dbraw/zinc/10/82/55/144108255.db2.gz IUJWVWJXYQDTFH-ROUUACIJSA-N 2 1 346.519 3.244 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CCSCC1 ZINC000186944551 144147421 /nfs/dbraw/zinc/14/74/21/144147421.db2.gz WDQJSUNGPXGYDZ-MRXNPFEDSA-N 2 1 334.529 3.140 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)C[C@@H]12 ZINC000351486810 144267758 /nfs/dbraw/zinc/26/77/58/144267758.db2.gz BFXYNNZJLISJJD-KZNAEPCWSA-N 2 1 332.451 3.170 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1)C1CC1 ZINC000351572863 144281671 /nfs/dbraw/zinc/28/16/71/144281671.db2.gz GNSSEGOJVIKBDH-FGZHOGPDSA-N 2 1 338.495 3.405 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1)C1CC1 ZINC000351572863 144281672 /nfs/dbraw/zinc/28/16/72/144281672.db2.gz GNSSEGOJVIKBDH-FGZHOGPDSA-N 2 1 338.495 3.405 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000351866402 144317676 /nfs/dbraw/zinc/31/76/76/144317676.db2.gz STCBFDBKOWMORQ-IPELMVKDSA-N 2 1 348.450 3.495 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000351866402 144317678 /nfs/dbraw/zinc/31/76/78/144317678.db2.gz STCBFDBKOWMORQ-IPELMVKDSA-N 2 1 348.450 3.495 20 0 EGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000363779843 144365496 /nfs/dbraw/zinc/36/54/96/144365496.db2.gz FAUQRENQESAFCL-RRFJBIMHSA-N 2 1 340.414 3.110 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000341526745 155334566 /nfs/dbraw/zinc/33/45/66/155334566.db2.gz NHFBVVJNUZRKIA-IBGZPJMESA-N 2 1 329.488 3.136 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000341526745 155334572 /nfs/dbraw/zinc/33/45/72/155334572.db2.gz NHFBVVJNUZRKIA-IBGZPJMESA-N 2 1 329.488 3.136 20 0 EGADMP CN(Cc1ccccc1)C(=O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000119073556 152170382 /nfs/dbraw/zinc/17/03/82/152170382.db2.gz SAUBLTZADQTOPH-UHFFFAOYSA-N 2 1 343.515 3.032 20 0 EGADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192752375 153257740 /nfs/dbraw/zinc/25/77/40/153257740.db2.gz YGGVFXDQXLHPIK-VCSGRIEYSA-N 2 1 338.499 3.328 20 0 EGADMP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C(C)(C)C)n1 ZINC000192918570 153266495 /nfs/dbraw/zinc/26/64/95/153266495.db2.gz WBWRBCAWFPPMRH-GOSISDBHSA-N 2 1 340.515 3.329 20 0 EGADMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C(C)(C)C)n1 ZINC000192918570 153266499 /nfs/dbraw/zinc/26/64/99/153266499.db2.gz WBWRBCAWFPPMRH-GOSISDBHSA-N 2 1 340.515 3.329 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CCSCC1 ZINC000249962393 153631319 /nfs/dbraw/zinc/63/13/19/153631319.db2.gz JUOJHTHGVKKPNY-UZLBHIALSA-N 2 1 348.556 3.265 20 0 EGADMP Cc1ncsc1CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310456939 154141857 /nfs/dbraw/zinc/14/18/57/154141857.db2.gz ZLIQBYPERXVPBU-OALUTQOASA-N 2 1 341.524 3.448 20 0 EGADMP Cc1ncsc1CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310456939 154141863 /nfs/dbraw/zinc/14/18/63/154141863.db2.gz ZLIQBYPERXVPBU-OALUTQOASA-N 2 1 341.524 3.448 20 0 EGADMP Cc1ncsc1CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310456939 154141868 /nfs/dbraw/zinc/14/18/68/154141868.db2.gz ZLIQBYPERXVPBU-OALUTQOASA-N 2 1 341.524 3.448 20 0 EGADMP Cc1ncsc1CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310456937 154142641 /nfs/dbraw/zinc/14/26/41/154142641.db2.gz ZLIQBYPERXVPBU-MOPGFXCFSA-N 2 1 341.524 3.448 20 0 EGADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310456937 154142643 /nfs/dbraw/zinc/14/26/43/154142643.db2.gz ZLIQBYPERXVPBU-MOPGFXCFSA-N 2 1 341.524 3.448 20 0 EGADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310456937 154142645 /nfs/dbraw/zinc/14/26/45/154142645.db2.gz ZLIQBYPERXVPBU-MOPGFXCFSA-N 2 1 341.524 3.448 20 0 EGADMP c1nn2ccccc2c1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000311798653 154148593 /nfs/dbraw/zinc/14/85/93/154148593.db2.gz KDCRMETWAXFZRJ-CEWLAPEOSA-N 2 1 346.478 3.335 20 0 EGADMP COc1cc(C)c(C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1OC ZINC000336724300 154212424 /nfs/dbraw/zinc/21/24/24/154212424.db2.gz MIHAGMFYAAMUET-UHFFFAOYSA-N 2 1 328.456 3.363 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000337281383 154257870 /nfs/dbraw/zinc/25/78/70/154257870.db2.gz WGIFSQFGCGTXHA-HNNXBMFYSA-N 2 1 325.815 3.087 20 0 EGADMP CC(C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1cccc(F)c1 ZINC000337337409 154291991 /nfs/dbraw/zinc/29/19/91/154291991.db2.gz OPAVAMFJMPKWEY-UHFFFAOYSA-N 2 1 335.511 3.452 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000337383569 154324825 /nfs/dbraw/zinc/32/48/25/154324825.db2.gz KAIHGIXQFZQITH-JQHSSLGASA-N 2 1 332.488 3.160 20 0 EGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000092796516 161983359 /nfs/dbraw/zinc/98/33/59/161983359.db2.gz SXDIEBFDQHOXAX-AZUAARDMSA-N 2 1 349.563 3.079 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000093660206 162019673 /nfs/dbraw/zinc/01/96/73/162019673.db2.gz SUCKZOIKRCAPQD-SFHVURJKSA-N 2 1 342.487 3.392 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000093660206 162019678 /nfs/dbraw/zinc/01/96/78/162019678.db2.gz SUCKZOIKRCAPQD-SFHVURJKSA-N 2 1 342.487 3.392 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000093660206 162019681 /nfs/dbraw/zinc/01/96/81/162019681.db2.gz SUCKZOIKRCAPQD-SFHVURJKSA-N 2 1 342.487 3.392 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000093660206 162019683 /nfs/dbraw/zinc/01/96/83/162019683.db2.gz SUCKZOIKRCAPQD-SFHVURJKSA-N 2 1 342.487 3.392 20 0 EGADMP COCCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683452 162023647 /nfs/dbraw/zinc/02/36/47/162023647.db2.gz UQPDNZRGEVSFJT-IBGZPJMESA-N 2 1 332.488 3.020 20 0 EGADMP COCCOc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683452 162023650 /nfs/dbraw/zinc/02/36/50/162023650.db2.gz UQPDNZRGEVSFJT-IBGZPJMESA-N 2 1 332.488 3.020 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000107368674 162065907 /nfs/dbraw/zinc/06/59/07/162065907.db2.gz ZTBWWFSFKSCSPU-HXUWFJFHSA-N 2 1 329.532 3.196 20 0 EGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)o1 ZINC000248447539 163006326 /nfs/dbraw/zinc/00/63/26/163006326.db2.gz NKRAZFVKMIIORT-ZTNFWEORSA-N 2 1 340.467 3.259 20 0 EGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)o1 ZINC000248447539 163006328 /nfs/dbraw/zinc/00/63/28/163006328.db2.gz NKRAZFVKMIIORT-ZTNFWEORSA-N 2 1 340.467 3.259 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000248463715 163007818 /nfs/dbraw/zinc/00/78/18/163007818.db2.gz ZCMWHGPXSBRKMO-IRLDBZIGSA-N 2 1 336.479 3.420 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(OC)cn2)CC1)CC1CC1 ZINC000338278741 163205166 /nfs/dbraw/zinc/20/51/66/163205166.db2.gz HPAVSQFXUMKOAZ-UHFFFAOYSA-N 2 1 331.504 3.424 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2[C@H](C)C[NH+](CC)C[C@H]2C)cc1 ZINC000344421151 164175383 /nfs/dbraw/zinc/17/53/83/164175383.db2.gz HANIZBVCCOSARV-QZTJIDSGSA-N 2 1 345.531 3.473 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)[C@H](C)C1 ZINC000344532573 164187467 /nfs/dbraw/zinc/18/74/67/164187467.db2.gz GBXKUJIHNYOZIC-DYESRHJHSA-N 2 1 339.483 3.481 20 0 EGADMP C[C@@H](N[C@@H](C)C[NH+]1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151845224 287048376 /nfs/dbraw/zinc/04/83/76/287048376.db2.gz KEZPOZQBFQELEC-ZWKOTPCHSA-N 2 1 333.520 3.152 20 0 EGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000346184399 164359207 /nfs/dbraw/zinc/35/92/07/164359207.db2.gz TXEHKNWAZFSZPK-LJQANCHMSA-N 2 1 333.439 3.262 20 0 EGADMP CC[NH+](CC)[C@@H](CNCc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352250596 165308370 /nfs/dbraw/zinc/30/83/70/165308370.db2.gz JMMRJVFQOLLEHD-SFHVURJKSA-N 2 1 346.544 3.377 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC1CCC1 ZINC000338310611 287146631 /nfs/dbraw/zinc/14/66/31/287146631.db2.gz ZOYZFDLIDORLOX-SFHVURJKSA-N 2 1 343.515 3.014 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC1CCC1 ZINC000338310611 287146632 /nfs/dbraw/zinc/14/66/32/287146632.db2.gz ZOYZFDLIDORLOX-SFHVURJKSA-N 2 1 343.515 3.014 20 0 EGADMP CC(C)Oc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000355203931 166132572 /nfs/dbraw/zinc/13/25/72/166132572.db2.gz GDDLRSYIZHLAHW-YSIASYRMSA-N 2 1 332.488 3.157 20 0 EGADMP CC(C)Oc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000355203931 166132574 /nfs/dbraw/zinc/13/25/74/166132574.db2.gz GDDLRSYIZHLAHW-YSIASYRMSA-N 2 1 332.488 3.157 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000355413348 166190306 /nfs/dbraw/zinc/19/03/06/166190306.db2.gz QSICGRDCTURYDN-CALCHBBNSA-N 2 1 329.488 3.484 20 0 EGADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000355594758 166255147 /nfs/dbraw/zinc/25/51/47/166255147.db2.gz WQEFPGDZJDXTRH-GOSISDBHSA-N 2 1 346.519 3.121 20 0 EGADMP CC[C@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000355791177 166311018 /nfs/dbraw/zinc/31/10/18/166311018.db2.gz IBXBBEZBIMGUFN-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(C(N)=O)cs2)CC1)CC1CC1 ZINC000355905034 166343661 /nfs/dbraw/zinc/34/36/61/166343661.db2.gz YPUWRHPGLHHHIT-UHFFFAOYSA-N 2 1 349.544 3.181 20 0 EGADMP COC1(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CCCCC1 ZINC000359731942 167216741 /nfs/dbraw/zinc/21/67/41/167216741.db2.gz CHLXFRDROMJBRL-UHFFFAOYSA-N 2 1 349.519 3.442 20 0 EGADMP CCN(CC)C(=O)CCC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000359862909 167252814 /nfs/dbraw/zinc/25/28/14/167252814.db2.gz RNVOCVLDOZDMMO-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)cn2)c1 ZINC000360444347 167330067 /nfs/dbraw/zinc/33/00/67/167330067.db2.gz NYMSKNLXAWPDPE-DNVCBOLYSA-N 2 1 341.455 3.312 20 0 EGADMP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)cn2)c1 ZINC000360444347 167330069 /nfs/dbraw/zinc/33/00/69/167330069.db2.gz NYMSKNLXAWPDPE-DNVCBOLYSA-N 2 1 341.455 3.312 20 0 EGADMP COC[C@H](CC(C)C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000360587948 167364185 /nfs/dbraw/zinc/36/41/85/167364185.db2.gz FXERJOXERPRTHP-PXNSSMCTSA-N 2 1 334.504 3.058 20 0 EGADMP COC[C@H](CC(C)C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000360587948 167364186 /nfs/dbraw/zinc/36/41/86/167364186.db2.gz FXERJOXERPRTHP-PXNSSMCTSA-N 2 1 334.504 3.058 20 0 EGADMP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000366246342 168097743 /nfs/dbraw/zinc/09/77/43/168097743.db2.gz DSLTXYMWXMLUKD-QGZVFWFLSA-N 2 1 335.455 3.294 20 0 EGADMP Cc1ccncc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366451456 168122756 /nfs/dbraw/zinc/12/27/56/168122756.db2.gz SFHSPLZJEKIQII-UHFFFAOYSA-N 2 1 344.547 3.018 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367210909 168194146 /nfs/dbraw/zinc/19/41/46/168194146.db2.gz IGKRGAUUPNCVFL-XYPWUTKMSA-N 2 1 347.528 3.294 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367210909 168194149 /nfs/dbraw/zinc/19/41/49/168194149.db2.gz IGKRGAUUPNCVFL-XYPWUTKMSA-N 2 1 347.528 3.294 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367210909 168194150 /nfs/dbraw/zinc/19/41/50/168194150.db2.gz IGKRGAUUPNCVFL-XYPWUTKMSA-N 2 1 347.528 3.294 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H](c4nccn4C)C3)s2)cn1 ZINC000367348357 168212074 /nfs/dbraw/zinc/21/20/74/168212074.db2.gz HXLUZHOMVPESBK-CQSZACIVSA-N 2 1 341.484 3.262 20 0 EGADMP COCCn1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cn1 ZINC000367423858 168223577 /nfs/dbraw/zinc/22/35/77/168223577.db2.gz XTRWEZYRQJOHJC-SFHVURJKSA-N 2 1 348.535 3.006 20 0 EGADMP OC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000367552066 168240682 /nfs/dbraw/zinc/24/06/82/168240682.db2.gz MMVSJZZGSCBFME-MLBCHFTJSA-N 2 1 342.527 3.285 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2c[nH]c3nccnc23)cc1 ZINC000367922243 168284643 /nfs/dbraw/zinc/28/46/43/168284643.db2.gz CDCKRASKSJPVFI-ZDUSSCGKSA-N 2 1 332.411 3.254 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@@H](C)C2 ZINC000180452995 265403215 /nfs/dbraw/zinc/40/32/15/265403215.db2.gz BYBHXMKKGJCCTM-LAUBAEHRSA-N 2 1 329.532 3.092 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCCC3)C2 ZINC000193957091 266078094 /nfs/dbraw/zinc/07/80/94/266078094.db2.gz PTDOHJYGJXIECD-NJDAHSKKSA-N 2 1 340.511 3.372 20 0 EGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCCC3)C2 ZINC000193957091 266078096 /nfs/dbraw/zinc/07/80/96/266078096.db2.gz PTDOHJYGJXIECD-NJDAHSKKSA-N 2 1 340.511 3.372 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000195132898 266162733 /nfs/dbraw/zinc/16/27/33/266162733.db2.gz AVDVWEZQTJFJOV-XUVXKRRUSA-N 2 1 328.500 3.446 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000266148262 266273768 /nfs/dbraw/zinc/27/37/68/266273768.db2.gz MWRBJCCSRUSKSA-FQEVSTJZSA-N 2 1 345.531 3.475 20 0 EGADMP CCOc1ccccc1OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000269618433 266328616 /nfs/dbraw/zinc/32/86/16/266328616.db2.gz DDBFVNLFVYFPRH-HKUYNNGSSA-N 2 1 344.499 3.413 20 0 EGADMP CCOc1ccccc1OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000269618433 266328619 /nfs/dbraw/zinc/32/86/19/266328619.db2.gz DDBFVNLFVYFPRH-HKUYNNGSSA-N 2 1 344.499 3.413 20 0 EGADMP CCOc1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269618433 266328621 /nfs/dbraw/zinc/32/86/21/266328621.db2.gz DDBFVNLFVYFPRH-HKUYNNGSSA-N 2 1 344.499 3.413 20 0 EGADMP CCOc1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269618433 266328624 /nfs/dbraw/zinc/32/86/24/266328624.db2.gz DDBFVNLFVYFPRH-HKUYNNGSSA-N 2 1 344.499 3.413 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000273602704 267067576 /nfs/dbraw/zinc/06/75/76/267067576.db2.gz MEDOHDSFMJOPOD-UHFFFAOYSA-N 2 1 333.476 3.138 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCC(C)(C)C ZINC000274854395 267297470 /nfs/dbraw/zinc/29/74/70/267297470.db2.gz RSXBZQIJLOSUME-PKOBYXMFSA-N 2 1 345.531 3.039 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCC(C)(C)C ZINC000274854395 267297474 /nfs/dbraw/zinc/29/74/74/267297474.db2.gz RSXBZQIJLOSUME-PKOBYXMFSA-N 2 1 345.531 3.039 20 0 EGADMP C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274895961 267303781 /nfs/dbraw/zinc/30/37/81/267303781.db2.gz KHJCJVLGWFKDER-SCWSEQNSSA-N 2 1 342.458 3.359 20 0 EGADMP C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274895961 267303783 /nfs/dbraw/zinc/30/37/83/267303783.db2.gz KHJCJVLGWFKDER-SCWSEQNSSA-N 2 1 342.458 3.359 20 0 EGADMP COc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000352434051 274094082 /nfs/dbraw/zinc/09/40/82/274094082.db2.gz ZJEIFFYEYXZEEH-PMACEKPBSA-N 2 1 337.467 3.044 20 0 EGADMP COc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000352434051 274094085 /nfs/dbraw/zinc/09/40/85/274094085.db2.gz ZJEIFFYEYXZEEH-PMACEKPBSA-N 2 1 337.467 3.044 20 0 EGADMP COc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000352434051 274094087 /nfs/dbraw/zinc/09/40/87/274094087.db2.gz ZJEIFFYEYXZEEH-PMACEKPBSA-N 2 1 337.467 3.044 20 0 EGADMP COc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000352434051 274094090 /nfs/dbraw/zinc/09/40/90/274094090.db2.gz ZJEIFFYEYXZEEH-PMACEKPBSA-N 2 1 337.467 3.044 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000093753027 275155640 /nfs/dbraw/zinc/15/56/40/275155640.db2.gz MRGYRIJQBMWHOW-GOSISDBHSA-N 2 1 340.471 3.433 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000093753027 275155643 /nfs/dbraw/zinc/15/56/43/275155643.db2.gz MRGYRIJQBMWHOW-GOSISDBHSA-N 2 1 340.471 3.433 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000093753027 275155644 /nfs/dbraw/zinc/15/56/44/275155644.db2.gz MRGYRIJQBMWHOW-GOSISDBHSA-N 2 1 340.471 3.433 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000093753027 275155645 /nfs/dbraw/zinc/15/56/45/275155645.db2.gz MRGYRIJQBMWHOW-GOSISDBHSA-N 2 1 340.471 3.433 20 0 EGADMP CCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000179701833 275203180 /nfs/dbraw/zinc/20/31/80/275203180.db2.gz OXIBYPUDUOFOGX-IBGZPJMESA-N 2 1 332.488 3.345 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000279221797 275313805 /nfs/dbraw/zinc/31/38/05/275313805.db2.gz CWQNQIUXBLACOB-SFTDATJTSA-N 2 1 326.484 3.159 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279756012 275356706 /nfs/dbraw/zinc/35/67/06/275356706.db2.gz QWQRBXGWLRUVCB-WIYYLYMNSA-N 2 1 326.484 3.017 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279756012 275356707 /nfs/dbraw/zinc/35/67/07/275356707.db2.gz QWQRBXGWLRUVCB-WIYYLYMNSA-N 2 1 326.484 3.017 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279756012 275356708 /nfs/dbraw/zinc/35/67/08/275356708.db2.gz QWQRBXGWLRUVCB-WIYYLYMNSA-N 2 1 326.484 3.017 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000279818672 275362614 /nfs/dbraw/zinc/36/26/14/275362614.db2.gz XZXBXYRHDYQDTD-OSZJIOELSA-N 2 1 338.495 3.466 20 0 EGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000282522904 275643235 /nfs/dbraw/zinc/64/32/35/275643235.db2.gz AICATRUTLGEPBQ-UHFFFAOYSA-N 2 1 343.519 3.483 20 0 EGADMP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000262710836 276051376 /nfs/dbraw/zinc/05/13/76/276051376.db2.gz QHCPRYITSRONFC-UZLBHIALSA-N 2 1 331.504 3.195 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000286871827 276052330 /nfs/dbraw/zinc/05/23/30/276052330.db2.gz BVWFPIMIFINUIA-YUXAGFNASA-N 2 1 338.495 3.233 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc3cc(OC)ccc3o2)C1 ZINC000354081737 276100362 /nfs/dbraw/zinc/10/03/62/276100362.db2.gz GWIZIEBVDAYEOZ-GOSISDBHSA-N 2 1 346.471 3.374 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000287607542 276139140 /nfs/dbraw/zinc/13/91/40/276139140.db2.gz SHFOZKRZCQCPSI-FFSVYQOJSA-N 2 1 331.287 3.489 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000287607542 276139141 /nfs/dbraw/zinc/13/91/41/276139141.db2.gz SHFOZKRZCQCPSI-FFSVYQOJSA-N 2 1 331.287 3.489 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347516911 276207355 /nfs/dbraw/zinc/20/73/55/276207355.db2.gz HERGSMXIEWEBGV-IXDOHACOSA-N 2 1 325.541 3.027 20 0 EGADMP CC[NH+](CC)Cc1ccc(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000342674436 276334849 /nfs/dbraw/zinc/33/48/49/276334849.db2.gz HKEAWHARICPBBW-CALCHBBNSA-N 2 1 331.504 3.017 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000289967408 276427142 /nfs/dbraw/zinc/42/71/42/276427142.db2.gz NDQPYDKGBANKHD-ROUUACIJSA-N 2 1 340.471 3.381 20 0 EGADMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(Cl)cn1 ZINC000290174335 276458088 /nfs/dbraw/zinc/45/80/88/276458088.db2.gz DXEXPBVTRWTNEV-AWEZNQCLSA-N 2 1 348.878 3.311 20 0 EGADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370704662 281351578 /nfs/dbraw/zinc/35/15/78/281351578.db2.gz ALMKGNYSZBYPQO-KRWDZBQOSA-N 2 1 329.488 3.130 20 0 EGADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000414115669 309061877 /nfs/dbraw/zinc/06/18/77/309061877.db2.gz NILASRACOXCXMX-HZPDHXFCSA-N 2 1 344.528 3.097 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000414176111 309064924 /nfs/dbraw/zinc/06/49/24/309064924.db2.gz HZJFPYKDSNLTKL-UKRRQHHQSA-N 2 1 325.522 3.023 20 0 EGADMP COC1([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCC1 ZINC000414308467 309072016 /nfs/dbraw/zinc/07/20/16/309072016.db2.gz QHTIIYICFRUHGV-OJAHFUOMSA-N 2 1 328.500 3.444 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCCC[NH+]4CCCC4)[C@H]3C2)cc1 ZINC000248392471 308001829 /nfs/dbraw/zinc/00/18/29/308001829.db2.gz DDTGGCNYURTGLR-FKBYEOEOSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[NH+]4CCCC4)[C@H]3C2)cc1 ZINC000248392471 308001830 /nfs/dbraw/zinc/00/18/30/308001830.db2.gz DDTGGCNYURTGLR-FKBYEOEOSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[NH+]4CCCC4)[C@H]3C2)cc1 ZINC000248392471 308001831 /nfs/dbraw/zinc/00/18/31/308001831.db2.gz DDTGGCNYURTGLR-FKBYEOEOSA-N 3 1 341.543 3.363 20 0 EGADMP CC(C)(C)C[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248417570 308002612 /nfs/dbraw/zinc/00/26/12/308002612.db2.gz RLGQUNKLPLUCRX-MTQWCTHYSA-N 2 1 330.516 3.284 20 0 EGADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000249762002 308027969 /nfs/dbraw/zinc/02/79/69/308027969.db2.gz NVNXJICGDQONFK-KSZLIROESA-N 2 1 345.531 3.454 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000293771094 308160401 /nfs/dbraw/zinc/16/04/01/308160401.db2.gz PPNXXFSEZCYYOY-FQEVSTJZSA-N 2 1 349.950 3.278 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000293770931 308160490 /nfs/dbraw/zinc/16/04/90/308160490.db2.gz POLRTFQIDMNPRR-LLVKDONJSA-N 2 1 326.263 3.293 20 0 EGADMP Fc1ccc([C@H]([NH2+]CCCCC[NH+]2CCCC2)c2ncc[nH]2)cc1 ZINC000293831427 308165946 /nfs/dbraw/zinc/16/59/46/308165946.db2.gz XBRFHNXZSAQQFA-SFHVURJKSA-N 2 1 330.451 3.494 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000293919307 308173993 /nfs/dbraw/zinc/17/39/93/308173993.db2.gz PGQJFEAUDZFNDA-OAQYLSRUSA-N 2 1 343.515 3.086 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000293919307 308173994 /nfs/dbraw/zinc/17/39/94/308173994.db2.gz PGQJFEAUDZFNDA-OAQYLSRUSA-N 2 1 343.515 3.086 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000293919307 308173995 /nfs/dbraw/zinc/17/39/95/308173995.db2.gz PGQJFEAUDZFNDA-OAQYLSRUSA-N 2 1 343.515 3.086 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000294713848 308248927 /nfs/dbraw/zinc/24/89/27/308248927.db2.gz BMSDXZDBJBQVDH-WOJBJXKFSA-N 2 1 328.500 3.242 20 0 EGADMP Brc1ncc(CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000294849868 308263715 /nfs/dbraw/zinc/26/37/15/308263715.db2.gz BZBYNYZSCWFPFG-SECBINFHSA-N 2 1 327.251 3.008 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414656808 309093993 /nfs/dbraw/zinc/09/39/93/309093993.db2.gz GEUWWBKACLSKRG-CVEARBPZSA-N 2 1 339.487 3.229 20 0 EGADMP CC[N@H+]1CC[C@@H](NCc2c(Cl)cccc2-n2ccnc2)[C@@H](C)C1 ZINC000296070555 308390569 /nfs/dbraw/zinc/39/05/69/308390569.db2.gz PVWUFSQXZJATBL-WMLDXEAASA-N 3 1 332.879 3.346 20 0 EGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1OCc1ccccc1 ZINC000414658862 309094161 /nfs/dbraw/zinc/09/41/61/309094161.db2.gz KGJMXFZOCJQQBU-APWZRJJASA-N 2 1 340.467 3.443 20 0 EGADMP C[C@H]1C[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC[C@@H]1[NH3+] ZINC000414661829 309094296 /nfs/dbraw/zinc/09/42/96/309094296.db2.gz QGNVDTLMMYZBOP-YJBOKZPZSA-N 2 1 339.487 3.229 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC[C@@H]1[NH3+] ZINC000414661829 309094297 /nfs/dbraw/zinc/09/42/97/309094297.db2.gz QGNVDTLMMYZBOP-YJBOKZPZSA-N 2 1 339.487 3.229 20 0 EGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000414664515 309094376 /nfs/dbraw/zinc/09/43/76/309094376.db2.gz TZGHQOUXIUHMEW-OAHLLOKOSA-N 2 1 348.443 3.033 20 0 EGADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414771661 309099976 /nfs/dbraw/zinc/09/99/76/309099976.db2.gz AFAVZNUCKBBYKV-JKSUJKDBSA-N 2 1 328.435 3.037 20 0 EGADMP CCOc1ccc(Br)cc1C[N@H+](CCC[NH3+])C1CC1 ZINC000414737945 309098223 /nfs/dbraw/zinc/09/82/23/309098223.db2.gz DSLUQWJKRGYSMI-UHFFFAOYSA-N 2 1 327.266 3.161 20 0 EGADMP CCOc1ccc(Br)cc1C[N@@H+](CCC[NH3+])C1CC1 ZINC000414737945 309098224 /nfs/dbraw/zinc/09/82/24/309098224.db2.gz DSLUQWJKRGYSMI-UHFFFAOYSA-N 2 1 327.266 3.161 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744344 309098415 /nfs/dbraw/zinc/09/84/15/309098415.db2.gz PLXMVWAJRXBMCQ-CEMLEFRQSA-N 3 1 341.543 3.363 20 0 EGADMP C[C@@H]1C[C@H](C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744344 309098416 /nfs/dbraw/zinc/09/84/16/309098416.db2.gz PLXMVWAJRXBMCQ-CEMLEFRQSA-N 3 1 341.543 3.363 20 0 EGADMP C[C@@H]1C[C@H](C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744344 309098417 /nfs/dbraw/zinc/09/84/17/309098417.db2.gz PLXMVWAJRXBMCQ-CEMLEFRQSA-N 3 1 341.543 3.363 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744344 309098418 /nfs/dbraw/zinc/09/84/18/309098418.db2.gz PLXMVWAJRXBMCQ-CEMLEFRQSA-N 2 1 341.543 3.363 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744344 309098419 /nfs/dbraw/zinc/09/84/19/309098419.db2.gz PLXMVWAJRXBMCQ-CEMLEFRQSA-N 2 1 341.543 3.363 20 0 EGADMP c1nc(-c2ccncc2)sc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772234 309099916 /nfs/dbraw/zinc/09/99/16/309099916.db2.gz BMBPRWKBDIEHEN-HOTGVXAUSA-N 2 1 328.485 3.027 20 0 EGADMP O[C@H]1CCC[C@@]1(C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccc(F)cc1 ZINC000298023372 308579055 /nfs/dbraw/zinc/57/90/55/308579055.db2.gz DWPDHLOQVIGHJD-SFTDATJTSA-N 2 1 346.490 3.116 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccnn2C)c1 ZINC000414786197 309101113 /nfs/dbraw/zinc/10/11/13/309101113.db2.gz UGUXJOMKCXJIKJ-ZWKOTPCHSA-N 2 1 338.499 3.217 20 0 EGADMP COc1ccc(C[C@H](C)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1F ZINC000414788134 309101404 /nfs/dbraw/zinc/10/14/04/309101404.db2.gz WIBINTIQPVTFIF-RYQLBKOJSA-N 2 1 334.479 3.334 20 0 EGADMP c1cc2c(cc1[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)C1CC1)OCCO2 ZINC000298331810 308604198 /nfs/dbraw/zinc/60/41/98/308604198.db2.gz IWTKHNUPSMTNAZ-FQEVSTJZSA-N 2 1 328.456 3.125 20 0 EGADMP CCc1oc2ccccc2c1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414796925 309102133 /nfs/dbraw/zinc/10/21/33/309102133.db2.gz YCUORCAJORCBFF-OAHLLOKOSA-N 2 1 328.456 3.183 20 0 EGADMP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414775224 309100089 /nfs/dbraw/zinc/10/00/89/309100089.db2.gz GHMGZVALZGPIGI-LSDHHAIUSA-N 2 1 328.435 3.037 20 0 EGADMP CC[NH+](CC)CCC[NH2+]Cc1cccc(I)c1 ZINC000302555675 308739573 /nfs/dbraw/zinc/73/95/73/308739573.db2.gz KZTHHNGLBMVBLW-UHFFFAOYSA-N 2 1 346.256 3.113 20 0 EGADMP C[NH2+]C[C@H](C)C[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000414845853 309105150 /nfs/dbraw/zinc/10/51/50/309105150.db2.gz TVXLNNIZRHJMTI-ZDUSSCGKSA-N 2 1 334.895 3.147 20 0 EGADMP [NH3+][C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)C1CC1 ZINC000414890017 309107608 /nfs/dbraw/zinc/10/76/08/309107608.db2.gz MBKHRTYADFPWDF-HXUWFJFHSA-N 2 1 332.451 3.366 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)ccc1OCC(F)(F)F ZINC000414943733 309110538 /nfs/dbraw/zinc/11/05/38/309110538.db2.gz FTJSKZODQVCUIC-TZMCWYRMSA-N 2 1 346.393 3.257 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415002360 309113584 /nfs/dbraw/zinc/11/35/84/309113584.db2.gz MDCLKCICOOVTSZ-XRULBBBTSA-N 3 1 347.522 3.419 20 0 EGADMP COc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)ccc1OCC(F)(F)F ZINC000415051612 309116574 /nfs/dbraw/zinc/11/65/74/309116574.db2.gz GLPSXDBWGJVHOM-CQSZACIVSA-N 2 1 334.382 3.099 20 0 EGADMP COc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccc1OCC(F)(F)F ZINC000415051611 309116599 /nfs/dbraw/zinc/11/65/99/309116599.db2.gz GLPSXDBWGJVHOM-AWEZNQCLSA-N 2 1 334.382 3.099 20 0 EGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415066925 309117960 /nfs/dbraw/zinc/11/79/60/309117960.db2.gz JQBITUWAAGWZSV-UHFFFAOYSA-N 2 1 340.515 3.461 20 0 EGADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)C1CCCC1 ZINC000415073014 309118221 /nfs/dbraw/zinc/11/82/21/309118221.db2.gz YTDKBRVPKRTSIU-HXUWFJFHSA-N 2 1 325.456 3.268 20 0 EGADMP FC(F)(F)COc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415084594 309119108 /nfs/dbraw/zinc/11/91/08/309119108.db2.gz OXDQEZKYZGNOOP-SOUVJXGZSA-N 2 1 343.393 3.033 20 0 EGADMP FC(F)(F)COc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415084593 309119129 /nfs/dbraw/zinc/11/91/29/309119129.db2.gz OXDQEZKYZGNOOP-RRFJBIMHSA-N 2 1 343.393 3.033 20 0 EGADMP Cc1cccc(N2CCC([NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)[nH+]1 ZINC000415091214 309119688 /nfs/dbraw/zinc/11/96/88/309119688.db2.gz PYPALFUVBSSTSJ-MJGOQNOKSA-N 3 1 330.520 3.259 20 0 EGADMP CC[C@H](C(=O)N1CCC([NH2+]CC[NH2+]C(C)(C)C)CC1)c1ccccc1 ZINC000415112402 309121178 /nfs/dbraw/zinc/12/11/78/309121178.db2.gz RWTQLAHBZTVQSY-IBGZPJMESA-N 2 1 345.531 3.149 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415960744 309151286 /nfs/dbraw/zinc/15/12/86/309151286.db2.gz CAWZEMVFLZNACW-LLVKDONJSA-N 2 1 346.397 3.016 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000415970149 309151909 /nfs/dbraw/zinc/15/19/09/309151909.db2.gz HHSXBAIETQXYMB-INIZCTEOSA-N 2 1 332.492 3.040 20 0 EGADMP CCCC[N@@H+](C)CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415971992 309152017 /nfs/dbraw/zinc/15/20/17/309152017.db2.gz ODVDQFPILBFWFF-UHFFFAOYSA-N 2 1 346.397 3.018 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)n(C)n1 ZINC000417973403 309230359 /nfs/dbraw/zinc/23/03/59/309230359.db2.gz UNOVMMKCXISHIV-UHFFFAOYSA-N 2 1 326.488 3.250 20 0 EGADMP C[N@@H+](CCCC[NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)C1CC1 ZINC000419295597 309263521 /nfs/dbraw/zinc/26/35/21/309263521.db2.gz CUZMRRVMDVLXCT-HXUWFJFHSA-N 2 1 343.515 3.204 20 0 EGADMP Brc1ccc2c(c1)[nH+]ccc2N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420270421 309278762 /nfs/dbraw/zinc/27/87/62/309278762.db2.gz YUZZXJUAYDUDNA-RYUDHWBXSA-N 2 1 332.245 3.043 20 0 EGADMP [NH3+]C[C@@H]1CC[N@@H+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420299160 309280147 /nfs/dbraw/zinc/28/01/47/309280147.db2.gz TUMOTODUFPAORN-YWZLYKJASA-N 2 1 333.435 3.373 20 0 EGADMP [NH3+]C[C@@H]1CC[N@H+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420299160 309280148 /nfs/dbraw/zinc/28/01/48/309280148.db2.gz TUMOTODUFPAORN-YWZLYKJASA-N 2 1 333.435 3.373 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420303082 309280580 /nfs/dbraw/zinc/28/05/80/309280580.db2.gz GVZDIWWHJSFNQQ-UHFFFAOYSA-N 2 1 342.439 3.185 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[NH2+]C2(c3nccs3)CCCC2)cc1 ZINC000420306907 309280797 /nfs/dbraw/zinc/28/07/97/309280797.db2.gz BGIMKANJIQFLAO-HNNXBMFYSA-N 2 1 331.485 3.253 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CCC[C@@H](CC[NH3+])C3)CCC2)c1 ZINC000420308925 309280874 /nfs/dbraw/zinc/28/08/74/309280874.db2.gz KUXJCHIRMPACDJ-SFHVURJKSA-N 2 1 346.515 3.443 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000420312674 309281212 /nfs/dbraw/zinc/28/12/12/309281212.db2.gz IHJPGMASRBCARD-HLIPFELVSA-N 2 1 337.467 3.344 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000420312674 309281213 /nfs/dbraw/zinc/28/12/13/309281213.db2.gz IHJPGMASRBCARD-HLIPFELVSA-N 2 1 337.467 3.344 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420326051 309282367 /nfs/dbraw/zinc/28/23/67/309282367.db2.gz WYYADTLXCQXWEM-FQEVSTJZSA-N 3 1 347.547 3.181 20 0 EGADMP CCCC[N@H+](C)CC1CCN(C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420326051 309282368 /nfs/dbraw/zinc/28/23/68/309282368.db2.gz WYYADTLXCQXWEM-FQEVSTJZSA-N 2 1 347.547 3.181 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420326051 309282369 /nfs/dbraw/zinc/28/23/69/309282369.db2.gz WYYADTLXCQXWEM-FQEVSTJZSA-N 2 1 347.547 3.181 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](C[C@H](CN)c2ccc(OC)cc2)CC1 ZINC000420326051 309282370 /nfs/dbraw/zinc/28/23/70/309282370.db2.gz WYYADTLXCQXWEM-FQEVSTJZSA-N 2 1 347.547 3.181 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](CN)c2ccc(OC)cc2)CC1 ZINC000420326051 309282371 /nfs/dbraw/zinc/28/23/71/309282371.db2.gz WYYADTLXCQXWEM-FQEVSTJZSA-N 2 1 347.547 3.181 20 0 EGADMP Fc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420328917 309282698 /nfs/dbraw/zinc/28/26/98/309282698.db2.gz NLSAXYVTTZXJHH-CVEARBPZSA-N 2 1 329.419 3.302 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336103 309282964 /nfs/dbraw/zinc/28/29/64/309282964.db2.gz ILQAJRXVEWPGPZ-XHSDSOJGSA-N 2 1 349.906 3.297 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344707 309283464 /nfs/dbraw/zinc/28/34/64/309283464.db2.gz UIUHQRYJRHUQOF-OKZBNKHCSA-N 2 1 343.515 3.377 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420344042 309283533 /nfs/dbraw/zinc/28/35/33/309283533.db2.gz RUODCXOQDGQSIN-IPMKNSEASA-N 2 1 343.515 3.260 20 0 EGADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420376446 309285020 /nfs/dbraw/zinc/28/50/20/309285020.db2.gz JWAQIIGRCVHLQQ-FOIQADDNSA-N 2 1 335.455 3.288 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420373872 309285059 /nfs/dbraw/zinc/28/50/59/309285059.db2.gz GZWCEUFBLMBWMT-INMHGKMJSA-N 2 1 325.456 3.084 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420373872 309285060 /nfs/dbraw/zinc/28/50/60/309285060.db2.gz GZWCEUFBLMBWMT-INMHGKMJSA-N 2 1 325.456 3.084 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C[NH3+] ZINC000420396967 309286304 /nfs/dbraw/zinc/28/63/04/309286304.db2.gz FNZKVHNPVVVFAI-LPHOPBHVSA-N 2 1 337.467 3.356 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)n1 ZINC000420410526 309286951 /nfs/dbraw/zinc/28/69/51/309286951.db2.gz XVWXDHZYMGOAQN-PZJWPPBQSA-N 2 1 338.499 3.453 20 0 EGADMP COc1ccc(C[N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420908166 309300392 /nfs/dbraw/zinc/30/03/92/309300392.db2.gz WLPWQRDEVDLJQI-UHFFFAOYSA-N 2 1 340.467 3.159 20 0 EGADMP COc1ccc(C[N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420908166 309300393 /nfs/dbraw/zinc/30/03/93/309300393.db2.gz WLPWQRDEVDLJQI-UHFFFAOYSA-N 2 1 340.467 3.159 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3ccccc3F)CC2)CC1 ZINC000420983321 309305571 /nfs/dbraw/zinc/30/55/71/309305571.db2.gz QLQZKODXQPYWED-QGZVFWFLSA-N 2 1 333.495 3.379 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCc3cccc(C)c3)CC2)CC1 ZINC000420979934 309305687 /nfs/dbraw/zinc/30/56/87/309305687.db2.gz LCUAKMUUQOLIIJ-UHFFFAOYSA-N 2 1 343.559 3.420 20 0 EGADMP COC1([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCOCC1 ZINC000421399267 309322980 /nfs/dbraw/zinc/32/29/80/309322980.db2.gz HRRFIYZPLAAOJW-CVEARBPZSA-N 2 1 343.471 3.415 20 0 EGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423262816 309392990 /nfs/dbraw/zinc/39/29/90/309392990.db2.gz NMNIPMBMKZIFDB-CVEARBPZSA-N 2 1 325.294 3.269 20 0 EGADMP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc(Cl)c1OC ZINC000422559203 309361516 /nfs/dbraw/zinc/36/15/16/309361516.db2.gz CQYBUGWWRWKIQK-OBJOEFQTSA-N 2 1 326.868 3.162 20 0 EGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc(Cl)c1OC ZINC000422559203 309361517 /nfs/dbraw/zinc/36/15/17/309361517.db2.gz CQYBUGWWRWKIQK-OBJOEFQTSA-N 2 1 326.868 3.162 20 0 EGADMP COc1ccccc1[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCCC1 ZINC000422707292 309363963 /nfs/dbraw/zinc/36/39/63/309363963.db2.gz HEYBXCNRWBLJOT-WMWLNJEOSA-N 2 1 343.515 3.095 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc(NC(N)=O)cc1 ZINC000422730242 309365559 /nfs/dbraw/zinc/36/55/59/309365559.db2.gz LVAPUFMLWHKXLP-KYNGSXCRSA-N 2 1 338.455 3.321 20 0 EGADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000422737713 309366116 /nfs/dbraw/zinc/36/61/16/309366116.db2.gz XTJVNWVZDYPHSL-IYWMVGAKSA-N 2 1 333.495 3.329 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)N(C)C ZINC000422747555 309366186 /nfs/dbraw/zinc/36/61/86/309366186.db2.gz QKBRYTPIAFUTNM-FHWLQOOXSA-N 2 1 325.456 3.032 20 0 EGADMP COc1ccccc1[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)[NH+](C)C ZINC000422747555 309366187 /nfs/dbraw/zinc/36/61/87/309366187.db2.gz QKBRYTPIAFUTNM-FHWLQOOXSA-N 2 1 325.456 3.032 20 0 EGADMP c1ccc([C@H]2C[C@@H]([NH2+]Cc3ccnc(N4CCCC4)c3)CC[NH2+]2)cc1 ZINC000422816241 309369956 /nfs/dbraw/zinc/36/99/56/309369956.db2.gz DTFUUDRFQQSMGJ-VQTJNVASSA-N 2 1 336.483 3.265 20 0 EGADMP CC[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[N@@H+](C)Cc1ccccc1 ZINC000422842948 309371529 /nfs/dbraw/zinc/37/15/29/309371529.db2.gz ZVWBXQWESJWBAF-FQEVSTJZSA-N 2 1 337.467 3.181 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422883515 309373938 /nfs/dbraw/zinc/37/39/38/309373938.db2.gz QOHZJMCSJLAFPD-ZEDDUWKQSA-N 3 1 327.516 3.434 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422883515 309373939 /nfs/dbraw/zinc/37/39/39/309373939.db2.gz QOHZJMCSJLAFPD-ZEDDUWKQSA-N 2 1 327.516 3.434 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422883515 309373940 /nfs/dbraw/zinc/37/39/40/309373940.db2.gz QOHZJMCSJLAFPD-ZEDDUWKQSA-N 2 1 327.516 3.434 20 0 EGADMP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(Sc2ccccc2)CCCC1 ZINC000422910448 309375837 /nfs/dbraw/zinc/37/58/37/309375837.db2.gz QKYSBAYWLBSMNY-SJORKVTESA-N 2 1 334.529 3.448 20 0 EGADMP COCCNc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422967996 309378807 /nfs/dbraw/zinc/37/88/07/309378807.db2.gz QEUYZQZUSYZZLR-SFTDATJTSA-N 2 1 339.483 3.328 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423008479 309380634 /nfs/dbraw/zinc/38/06/34/309380634.db2.gz SUUTXZWAVRIPSV-OXJNMPFZSA-N 3 1 327.472 3.129 20 0 EGADMP CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423008479 309380635 /nfs/dbraw/zinc/38/06/35/309380635.db2.gz SUUTXZWAVRIPSV-OXJNMPFZSA-N 2 1 327.472 3.129 20 0 EGADMP C[C@@H](NCc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@H]1CCC[NH2+]1 ZINC000423011108 309380789 /nfs/dbraw/zinc/38/07/89/309380789.db2.gz YZYAQYBMZFCVEP-UZLBHIALSA-N 2 1 327.472 3.142 20 0 EGADMP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000423027890 309381886 /nfs/dbraw/zinc/38/18/86/309381886.db2.gz FKEIPTFYIBSELG-BEQLGVGBSA-N 3 1 327.516 3.147 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000423036579 309382174 /nfs/dbraw/zinc/38/21/74/309382174.db2.gz APXSXJWUZAIWND-XHBSWPGZSA-N 2 1 328.287 3.302 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000423056572 309383610 /nfs/dbraw/zinc/38/36/10/309383610.db2.gz YMROWHIUHZLMMA-XYPHTWIQSA-N 2 1 343.437 3.286 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000423092485 309385622 /nfs/dbraw/zinc/38/56/22/309385622.db2.gz CAMMFNMDHJCBNK-YYWHXJBOSA-N 2 1 329.532 3.332 20 0 EGADMP Clc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000423097715 309385695 /nfs/dbraw/zinc/38/56/95/309385695.db2.gz RFCZIZQGBJVGRF-GPFWEFOESA-N 2 1 334.891 3.333 20 0 EGADMP COCc1nc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(-c2ccccc2)s1 ZINC000423102658 309386069 /nfs/dbraw/zinc/38/60/69/309386069.db2.gz OKHBNIFCDVYVQZ-LSDHHAIUSA-N 2 1 331.485 3.174 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423116549 309386883 /nfs/dbraw/zinc/38/68/83/309386883.db2.gz QJJVYCCIDLDCGV-XNMUZJSGSA-N 2 1 327.516 3.160 20 0 EGADMP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423116549 309386884 /nfs/dbraw/zinc/38/68/84/309386884.db2.gz QJJVYCCIDLDCGV-XNMUZJSGSA-N 2 1 327.516 3.160 20 0 EGADMP C[C@@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)[C@@H]1CCCC[NH2+]1 ZINC000423126571 309387323 /nfs/dbraw/zinc/38/73/23/309387323.db2.gz BAAPIHDGHJTVSI-PBHICJAKSA-N 2 1 334.533 3.174 20 0 EGADMP COc1ccc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c(Cl)c1OC ZINC000423130969 309387498 /nfs/dbraw/zinc/38/74/98/309387498.db2.gz HHRMAJXWAGGPGQ-GXTWGEPZSA-N 2 1 326.868 3.020 20 0 EGADMP Fc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423132949 309387671 /nfs/dbraw/zinc/38/76/71/309387671.db2.gz PWBXTMFHOOEKOC-CMKODMSKSA-N 2 1 339.458 3.487 20 0 EGADMP COCCOCc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423136081 309387743 /nfs/dbraw/zinc/38/77/43/309387743.db2.gz GPRTVJMXNVWFDP-PMACEKPBSA-N 2 1 326.440 3.084 20 0 EGADMP Fc1cccc(-n2cccn2)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423166244 309389043 /nfs/dbraw/zinc/38/90/43/309389043.db2.gz UYCSJWVWCJNWBF-KFKAGJAMSA-N 2 1 342.462 3.412 20 0 EGADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423176755 309389149 /nfs/dbraw/zinc/38/91/49/309389149.db2.gz CYNZLSBGFPGKNT-WMLDXEAASA-N 2 1 336.451 3.176 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000423211985 309390651 /nfs/dbraw/zinc/39/06/51/309390651.db2.gz LJERYHAYGWHXBY-NEPJUHHUSA-N 2 1 327.266 3.108 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NCC[NH2+]C1CCCCCC1 ZINC000423275640 309393656 /nfs/dbraw/zinc/39/36/56/309393656.db2.gz MBQQSAUGENGRNJ-NQIIRXRSSA-N 2 1 344.547 3.194 20 0 EGADMP CC(C)[C@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@H](C)[NH3+] ZINC000423342652 309396129 /nfs/dbraw/zinc/39/61/29/309396129.db2.gz VDZLEJWRBJEPIQ-ZWOKBUDYSA-N 2 1 345.531 3.297 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)CC1(C[NH3+])CC1)C1CCCCC1 ZINC000423342798 309396159 /nfs/dbraw/zinc/39/61/59/309396159.db2.gz DFPFPWHPURTGMJ-UHFFFAOYSA-N 2 1 343.515 3.196 20 0 EGADMP CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@@H](C)[NH3+] ZINC000423347220 309396463 /nfs/dbraw/zinc/39/64/63/309396463.db2.gz ZWRCYFKQKOIAPD-HLIPFELVSA-N 2 1 345.531 3.297 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000423377068 309397855 /nfs/dbraw/zinc/39/78/55/309397855.db2.gz VRFCAVOXKNBRGB-XDWAVFMPSA-N 3 1 327.516 3.289 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000423377068 309397856 /nfs/dbraw/zinc/39/78/56/309397856.db2.gz VRFCAVOXKNBRGB-XDWAVFMPSA-N 3 1 327.516 3.289 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000423377068 309397857 /nfs/dbraw/zinc/39/78/57/309397857.db2.gz VRFCAVOXKNBRGB-XDWAVFMPSA-N 3 1 327.516 3.289 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000423388191 309398073 /nfs/dbraw/zinc/39/80/73/309398073.db2.gz NFQFUGSBPSSKIV-JTSKRJEESA-N 3 1 335.495 3.433 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000423388191 309398074 /nfs/dbraw/zinc/39/80/74/309398074.db2.gz NFQFUGSBPSSKIV-JTSKRJEESA-N 3 1 335.495 3.433 20 0 EGADMP Fc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2[C@H]4C[NH2+]C[C@H]42)CCC3)cc1 ZINC000423425727 309399901 /nfs/dbraw/zinc/39/99/01/309399901.db2.gz HAKAVWUYXSKVIY-CTASWTNQSA-N 2 1 329.444 3.134 20 0 EGADMP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423522199 309404772 /nfs/dbraw/zinc/40/47/72/309404772.db2.gz RJYDREHTOSDGTG-OCCSQVGLSA-N 2 1 349.475 3.287 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(OCc2ccccc2)cc1 ZINC000423526351 309404905 /nfs/dbraw/zinc/40/49/05/309404905.db2.gz VCNQUNUJLSOCBQ-UWJYYQICSA-N 2 1 340.467 3.295 20 0 EGADMP CCn1nnc(C)c1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000449037444 310031949 /nfs/dbraw/zinc/03/19/49/310031949.db2.gz NEXCPRNIFDHCAA-INIZCTEOSA-N 2 1 333.524 3.083 20 0 EGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cc1 ZINC000449104545 310037301 /nfs/dbraw/zinc/03/73/01/310037301.db2.gz ABQYWPNHDZZCAO-HXUWFJFHSA-N 2 1 343.515 3.162 20 0 EGADMP COc1cccc2c(C[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)cccc12 ZINC000449282628 310049997 /nfs/dbraw/zinc/04/99/97/310049997.db2.gz IHTWAYZGMKNCEN-KRWDZBQOSA-N 2 1 342.483 3.439 20 0 EGADMP COCC[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000449550305 310070661 /nfs/dbraw/zinc/07/06/61/310070661.db2.gz COILCKOHOYRRNF-INIZCTEOSA-N 2 1 330.394 3.467 20 0 EGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]2CCCC2(C)C)c(C)c1 ZINC000449778014 310086557 /nfs/dbraw/zinc/08/65/57/310086557.db2.gz ARYJZMSIQHDXMA-QGZVFWFLSA-N 2 1 331.504 3.485 20 0 EGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@H+]2CCCC2(C)C)c(C)c1 ZINC000449778014 310086558 /nfs/dbraw/zinc/08/65/58/310086558.db2.gz ARYJZMSIQHDXMA-QGZVFWFLSA-N 2 1 331.504 3.485 20 0 EGADMP COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000449784881 310087351 /nfs/dbraw/zinc/08/73/51/310087351.db2.gz ZABLRGZRTDLJKI-GFCCVEGCSA-N 2 1 337.464 3.073 20 0 EGADMP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000449926650 310094517 /nfs/dbraw/zinc/09/45/17/310094517.db2.gz MTNNNZZAJGDEBW-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCc1[nH+]ccn1[C@H]1CCCN(Cc2ccn(CC(F)(F)F)n2)C1 ZINC000450379430 310119221 /nfs/dbraw/zinc/11/92/21/310119221.db2.gz NZLIJCMXTFJXEV-AWEZNQCLSA-N 2 1 341.381 3.041 20 0 EGADMP Cc1c[nH+]ccc1OC1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450867600 310146803 /nfs/dbraw/zinc/14/68/03/310146803.db2.gz HHKRKSZMWFXTQQ-SFHVURJKSA-N 2 1 331.504 3.496 20 0 EGADMP Cc1c[nH+]ccc1OC1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450867600 310146804 /nfs/dbraw/zinc/14/68/04/310146804.db2.gz HHKRKSZMWFXTQQ-SFHVURJKSA-N 2 1 331.504 3.496 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000451527338 310183226 /nfs/dbraw/zinc/18/32/26/310183226.db2.gz DLIMFVHYZDUJLD-ICSRJNTNSA-N 2 1 343.515 3.014 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000451527338 310183227 /nfs/dbraw/zinc/18/32/27/310183227.db2.gz DLIMFVHYZDUJLD-ICSRJNTNSA-N 2 1 343.515 3.014 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000451527338 310183228 /nfs/dbraw/zinc/18/32/28/310183228.db2.gz DLIMFVHYZDUJLD-ICSRJNTNSA-N 2 1 343.515 3.014 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000451527338 310183229 /nfs/dbraw/zinc/18/32/29/310183229.db2.gz DLIMFVHYZDUJLD-ICSRJNTNSA-N 2 1 343.515 3.014 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000453068232 310255691 /nfs/dbraw/zinc/25/56/91/310255691.db2.gz XZNQZCCVYUBVJQ-ZWKOTPCHSA-N 2 1 338.499 3.429 20 0 EGADMP C[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453074472 310256116 /nfs/dbraw/zinc/25/61/16/310256116.db2.gz GVMQGAXQWYJJAN-HBMCJLEFSA-N 2 1 327.516 3.113 20 0 EGADMP CN1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453074472 310256117 /nfs/dbraw/zinc/25/61/17/310256117.db2.gz GVMQGAXQWYJJAN-HBMCJLEFSA-N 2 1 327.516 3.113 20 0 EGADMP CN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453074472 310256118 /nfs/dbraw/zinc/25/61/18/310256118.db2.gz GVMQGAXQWYJJAN-HBMCJLEFSA-N 2 1 327.516 3.113 20 0 EGADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453140871 310260389 /nfs/dbraw/zinc/26/03/89/310260389.db2.gz ZRMBEKCVEIXWOC-JSXRDJHFSA-N 2 1 330.516 3.426 20 0 EGADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453140870 310260434 /nfs/dbraw/zinc/26/04/34/310260434.db2.gz ZRMBEKCVEIXWOC-DOIPELPJSA-N 2 1 330.516 3.426 20 0 EGADMP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453237354 310265978 /nfs/dbraw/zinc/26/59/78/310265978.db2.gz PUVRQHAAPFJHIM-KCLUMXDGSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)(CO)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453274013 310268629 /nfs/dbraw/zinc/26/86/29/310268629.db2.gz JYVNLYFKTISIEN-AQNXPRMDSA-N 2 1 330.516 3.428 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C1CCC1 ZINC000453369109 310273334 /nfs/dbraw/zinc/27/33/34/310273334.db2.gz FFYKWRMMCDTJNN-JSXRDJHFSA-N 2 1 328.500 3.180 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C2(O)CCCC2)[C@@H](C)C1 ZINC000453372654 310273510 /nfs/dbraw/zinc/27/35/10/310273510.db2.gz GQTFGJJMVGGZIX-ZWKOTPCHSA-N 2 1 340.552 3.044 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)nnn1-c1ccc(F)cc1 ZINC000453418501 310276053 /nfs/dbraw/zinc/27/60/53/310276053.db2.gz YFVQPWBTNSCEBF-CQSZACIVSA-N 2 1 345.466 3.240 20 0 EGADMP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cn2cc[nH+]c12 ZINC000455614486 310369523 /nfs/dbraw/zinc/36/95/23/310369523.db2.gz CWDSGDMXPRGDQG-MRXNPFEDSA-N 2 1 341.459 3.029 20 0 EGADMP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cn2cc[nH+]c12 ZINC000455614486 310369524 /nfs/dbraw/zinc/36/95/24/310369524.db2.gz CWDSGDMXPRGDQG-MRXNPFEDSA-N 2 1 341.459 3.029 20 0 EGADMP Cc1cc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cn2cc[nH+]c12 ZINC000455653459 310371502 /nfs/dbraw/zinc/37/15/02/310371502.db2.gz HBUQGNYFCQUHGJ-OAHLLOKOSA-N 2 1 343.475 3.276 20 0 EGADMP Cc1cc(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cn2cc[nH+]c12 ZINC000455653459 310371503 /nfs/dbraw/zinc/37/15/03/310371503.db2.gz HBUQGNYFCQUHGJ-OAHLLOKOSA-N 2 1 343.475 3.276 20 0 EGADMP CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455931786 310382613 /nfs/dbraw/zinc/38/26/13/310382613.db2.gz PRFFLPRVGITHAB-DNVCBOLYSA-N 2 1 344.503 3.089 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455933208 310382679 /nfs/dbraw/zinc/38/26/79/310382679.db2.gz QLTYFQNQVSQWAF-KDOFPFPSSA-N 2 1 332.492 3.087 20 0 EGADMP CC[C@@H](C(=O)NC(C)(C)CCC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000456176554 310391996 /nfs/dbraw/zinc/39/19/96/310391996.db2.gz WMIOXYKSYVBLEB-SFHVURJKSA-N 2 1 333.520 3.134 20 0 EGADMP C[C@H]1C[C@H](CC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C[C@@H](C)C1 ZINC000490696978 311149582 /nfs/dbraw/zinc/14/95/82/311149582.db2.gz KLYGAIRGQMGVFU-LUYSREMJSA-N 2 1 335.580 3.407 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000495571192 311579898 /nfs/dbraw/zinc/57/98/98/311579898.db2.gz ZRLXASYNUYONAJ-MRXNPFEDSA-N 2 1 348.491 3.027 20 0 EGADMP CC[C@H](C[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C)[NH+]1CCCC1 ZINC000502256807 311961780 /nfs/dbraw/zinc/96/17/80/311961780.db2.gz ZSQXVQNYTZMBPI-FUHWJXTLSA-N 2 1 334.504 3.407 20 0 EGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000507466013 312073536 /nfs/dbraw/zinc/07/35/36/312073536.db2.gz CBFGRXFUTHRWKL-OUJGAGHGSA-N 2 1 330.516 3.284 20 0 EGADMP CC[C@H](O)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512656346 312191673 /nfs/dbraw/zinc/19/16/73/312191673.db2.gz ZGJYQGNZJOMBIE-IVAOSVALSA-N 2 1 330.516 3.428 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCC[NH+]4CCCCC4)[C@@H]3C2)cc1 ZINC000512655420 312191715 /nfs/dbraw/zinc/19/17/15/312191715.db2.gz UJQAFTLMUQGPNS-BHDDXSALSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCC[NH+]4CCCCC4)[C@@H]3C2)cc1 ZINC000512655420 312191718 /nfs/dbraw/zinc/19/17/18/312191718.db2.gz UJQAFTLMUQGPNS-BHDDXSALSA-N 2 1 341.543 3.363 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(C)c1OC ZINC000515556606 312289582 /nfs/dbraw/zinc/28/95/82/312289582.db2.gz LZSQXDYWTNOADQ-RDJZCZTQSA-N 2 1 334.504 3.263 20 0 EGADMP Cc1cc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cn2cc[nH+]c12 ZINC000515997418 312305245 /nfs/dbraw/zinc/30/52/45/312305245.db2.gz LQBRMEFRGCHVSN-GJZGRUSLSA-N 2 1 329.448 3.027 20 0 EGADMP Cc1cc(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cn2cc[nH+]c12 ZINC000515997418 312305248 /nfs/dbraw/zinc/30/52/48/312305248.db2.gz LQBRMEFRGCHVSN-GJZGRUSLSA-N 2 1 329.448 3.027 20 0 EGADMP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2nc(CN)no2)c1 ZINC000517741280 312391128 /nfs/dbraw/zinc/39/11/28/312391128.db2.gz GIIOESYZCBLBHO-MOPGFXCFSA-N 2 1 348.450 3.220 20 0 EGADMP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2nc(C[NH3+])no2)c1 ZINC000517741280 312391129 /nfs/dbraw/zinc/39/11/29/312391129.db2.gz GIIOESYZCBLBHO-MOPGFXCFSA-N 2 1 348.450 3.220 20 0 EGADMP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2nc(C[NH3+])no2)c1 ZINC000517741280 312391131 /nfs/dbraw/zinc/39/11/31/312391131.db2.gz GIIOESYZCBLBHO-MOPGFXCFSA-N 2 1 348.450 3.220 20 0 EGADMP Cc1ccsc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000520932811 312525138 /nfs/dbraw/zinc/52/51/38/312525138.db2.gz MJKGYGYMVMDAJH-OAHLLOKOSA-N 2 1 335.542 3.196 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)C[C@H](C)O1 ZINC000529525239 313342763 /nfs/dbraw/zinc/34/27/63/313342763.db2.gz FMFQROVEWLCSRK-CALCHBBNSA-N 2 1 341.499 3.489 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000535083025 314025467 /nfs/dbraw/zinc/02/54/67/314025467.db2.gz TUQKIJFTGWSGLX-UHFFFAOYSA-N 2 1 341.503 3.034 20 0 EGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000536496889 314118245 /nfs/dbraw/zinc/11/82/45/314118245.db2.gz JVVUQIPHUGWKON-PKOBYXMFSA-N 2 1 336.907 3.400 20 0 EGADMP Cc1cccc(C)c1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000536901535 314153243 /nfs/dbraw/zinc/15/32/43/314153243.db2.gz QDRRPDCGRDAKTF-LJQANCHMSA-N 2 1 343.540 3.443 20 0 EGADMP CCc1ccc([C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C(C)C)cc1 ZINC000536998292 314156186 /nfs/dbraw/zinc/15/61/86/314156186.db2.gz NEFXSCYIEFOLCT-UXHICEINSA-N 2 1 345.531 3.123 20 0 EGADMP COC(=O)c1oc([C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1C ZINC000537037166 314158303 /nfs/dbraw/zinc/15/83/03/314158303.db2.gz RBIZWSFUIQBACA-OAHLLOKOSA-N 2 1 336.476 3.488 20 0 EGADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000537304994 314172817 /nfs/dbraw/zinc/17/28/17/314172817.db2.gz YDYDUDWAFJZTRZ-GFCCVEGCSA-N 2 1 341.268 3.371 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc(C4CCC4)s3)C2)CC1 ZINC000537660357 314200567 /nfs/dbraw/zinc/20/05/67/314200567.db2.gz DHHUJKQFIKIFJR-KRWDZBQOSA-N 2 1 348.560 3.011 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(C4CCC4)s3)C2)CC1 ZINC000537660357 314200569 /nfs/dbraw/zinc/20/05/69/314200569.db2.gz DHHUJKQFIKIFJR-KRWDZBQOSA-N 2 1 348.560 3.011 20 0 EGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000537959736 314220583 /nfs/dbraw/zinc/22/05/83/314220583.db2.gz RQORFEYVOZIJET-IPELMVKDSA-N 2 1 332.488 3.032 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)NCC(C)C)CC1)CC(C)C ZINC000537996792 314223102 /nfs/dbraw/zinc/22/31/02/314223102.db2.gz XVIAWBCVNHUTII-GOSISDBHSA-N 2 1 339.568 3.227 20 0 EGADMP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000538798235 314276687 /nfs/dbraw/zinc/27/66/87/314276687.db2.gz UGAJYHXXUOBJFO-YSIASYRMSA-N 2 1 332.488 3.159 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000538798235 314276691 /nfs/dbraw/zinc/27/66/91/314276691.db2.gz UGAJYHXXUOBJFO-YSIASYRMSA-N 2 1 332.488 3.159 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000539558249 314320612 /nfs/dbraw/zinc/32/06/12/314320612.db2.gz LYYNAYMJXVLLPH-MLGOLLRUSA-N 2 1 331.287 3.440 20 0 EGADMP CCC[C@H]1CN(CC[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000540520184 314386670 /nfs/dbraw/zinc/38/66/70/314386670.db2.gz OGOLDVWBGJMKCY-SFTDATJTSA-N 2 1 329.532 3.457 20 0 EGADMP CCC[C@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000540520184 314386672 /nfs/dbraw/zinc/38/66/72/314386672.db2.gz OGOLDVWBGJMKCY-SFTDATJTSA-N 2 1 329.532 3.457 20 0 EGADMP CCC[C@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000540520184 314386676 /nfs/dbraw/zinc/38/66/76/314386676.db2.gz OGOLDVWBGJMKCY-SFTDATJTSA-N 2 1 329.532 3.457 20 0 EGADMP C[N@@H+](CCC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCCCC1 ZINC000548716948 315038954 /nfs/dbraw/zinc/03/89/54/315038954.db2.gz NZELJTLGNGBQSP-UHFFFAOYSA-N 2 1 335.536 3.164 20 0 EGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCC12CCOCC2)c1ccccc1 ZINC000548794057 315048395 /nfs/dbraw/zinc/04/83/95/315048395.db2.gz SMEXQSOGNYQHFF-VQTJNVASSA-N 2 1 346.515 3.245 20 0 EGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCC12CCOCC2)c1ccccc1 ZINC000548794057 315048399 /nfs/dbraw/zinc/04/83/99/315048399.db2.gz SMEXQSOGNYQHFF-VQTJNVASSA-N 2 1 346.515 3.245 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCC[NH+](C)C2)CC1 ZINC000552246066 315208735 /nfs/dbraw/zinc/20/87/35/315208735.db2.gz HIOQCIAXGNCLTM-QNGMFEMESA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000552246066 315208736 /nfs/dbraw/zinc/20/87/36/315208736.db2.gz HIOQCIAXGNCLTM-QNGMFEMESA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000552246066 315208737 /nfs/dbraw/zinc/20/87/37/315208737.db2.gz HIOQCIAXGNCLTM-QNGMFEMESA-N 3 1 329.532 3.361 20 0 EGADMP CN1CCC[C@H](C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000552246066 315208738 /nfs/dbraw/zinc/20/87/38/315208738.db2.gz HIOQCIAXGNCLTM-QNGMFEMESA-N 2 1 329.532 3.361 20 0 EGADMP CN1CCC[C@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000552246066 315208739 /nfs/dbraw/zinc/20/87/39/315208739.db2.gz HIOQCIAXGNCLTM-QNGMFEMESA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000553781152 315281934 /nfs/dbraw/zinc/28/19/34/315281934.db2.gz ALOXJLBNLOFFPJ-IPMKNSEASA-N 2 1 337.552 3.077 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)s1 ZINC000092740018 454622755 /nfs/dbraw/zinc/62/27/55/454622755.db2.gz DCKMSOFUHBSUAW-LSDHHAIUSA-N 2 1 339.549 3.413 20 0 EGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000563349814 316003700 /nfs/dbraw/zinc/00/37/00/316003700.db2.gz KCLCCODZHMCRSA-GXTWGEPZSA-N 2 1 338.377 3.203 20 0 EGADMP Cc1cnc2cc(C(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)ccn12 ZINC000564352930 316142241 /nfs/dbraw/zinc/14/22/41/316142241.db2.gz YODBJOZPDYTVDQ-RDJZCZTQSA-N 2 1 340.471 3.026 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H]3CCCC[C@@H]3O)C2)s1 ZINC000565049426 316256154 /nfs/dbraw/zinc/25/61/54/316256154.db2.gz PQJBISRBSITQSR-LMMKCTJWSA-N 2 1 336.545 3.361 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H]3CCCC[C@@H]3O)C2)s1 ZINC000565049426 316256156 /nfs/dbraw/zinc/25/61/56/316256156.db2.gz PQJBISRBSITQSR-LMMKCTJWSA-N 2 1 336.545 3.361 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H]3CCCC[C@@H]3O)C2)s1 ZINC000565049426 316256158 /nfs/dbraw/zinc/25/61/58/316256158.db2.gz PQJBISRBSITQSR-LMMKCTJWSA-N 2 1 336.545 3.361 20 0 EGADMP CCCC[C@@H](C)N(C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000565197448 316288137 /nfs/dbraw/zinc/28/81/37/316288137.db2.gz ZBCQZYBHPZQLEU-QGZVFWFLSA-N 2 1 337.552 3.220 20 0 EGADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)Cc1ccccc1 ZINC000565357856 316313495 /nfs/dbraw/zinc/31/34/95/316313495.db2.gz ASDCUSYGTTYFNX-RBUKOAKNSA-N 2 1 344.524 3.153 20 0 EGADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Cc1ccccc1 ZINC000565357856 316313498 /nfs/dbraw/zinc/31/34/98/316313498.db2.gz ASDCUSYGTTYFNX-RBUKOAKNSA-N 2 1 344.524 3.153 20 0 EGADMP CCCCCOc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000571920736 317266232 /nfs/dbraw/zinc/26/62/32/317266232.db2.gz GGKZLHOKYISSHN-ZWKOTPCHSA-N 2 1 332.488 3.306 20 0 EGADMP CCCCCOc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000571920736 317266233 /nfs/dbraw/zinc/26/62/33/317266233.db2.gz GGKZLHOKYISSHN-ZWKOTPCHSA-N 2 1 332.488 3.306 20 0 EGADMP CN(Cc1cccc(O)c1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000572065355 317285630 /nfs/dbraw/zinc/28/56/30/317285630.db2.gz MAOOLOFQAVURJQ-OAQYLSRUSA-N 2 1 340.467 3.115 20 0 EGADMP c1nc2ccccn2c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000572170404 317301516 /nfs/dbraw/zinc/30/15/16/317301516.db2.gz PMBSDIOVDVUYCK-PMACEKPBSA-N 2 1 346.478 3.288 20 0 EGADMP c1nc2ccccn2c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000572170404 317301518 /nfs/dbraw/zinc/30/15/18/317301518.db2.gz PMBSDIOVDVUYCK-PMACEKPBSA-N 2 1 346.478 3.288 20 0 EGADMP c1nc2ccccn2c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000572170404 317301522 /nfs/dbraw/zinc/30/15/22/317301522.db2.gz PMBSDIOVDVUYCK-PMACEKPBSA-N 2 1 346.478 3.288 20 0 EGADMP c1nc2ccccn2c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000572170404 317301526 /nfs/dbraw/zinc/30/15/26/317301526.db2.gz PMBSDIOVDVUYCK-PMACEKPBSA-N 2 1 346.478 3.288 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2cn3ccccc3n2)C[C@H]1c1ccccc1 ZINC000572666669 317372764 /nfs/dbraw/zinc/37/27/64/317372764.db2.gz UNZDNMLLDRBORC-QUCCMNQESA-N 2 1 334.467 3.302 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cn3ccccc3n2)C[C@H]1c1ccccc1 ZINC000572666669 317372769 /nfs/dbraw/zinc/37/27/69/317372769.db2.gz UNZDNMLLDRBORC-QUCCMNQESA-N 2 1 334.467 3.302 20 0 EGADMP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000383986651 324258547 /nfs/dbraw/zinc/25/85/47/324258547.db2.gz MPQGPLGNGCDNMW-HNNXBMFYSA-N 2 1 339.524 3.286 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@@H]4CC[NH+]5CCCC[C@H]45)[C@@H]3C2)cc1 ZINC000385803311 324263987 /nfs/dbraw/zinc/26/39/87/324263987.db2.gz KKXWGCYTCJSPEN-MLBCHFTJSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[C@H](N[C@@H]4CC[N@@H+]5CCCC[C@H]45)[C@@H]3C2)cc1 ZINC000385803311 324263991 /nfs/dbraw/zinc/26/39/91/324263991.db2.gz KKXWGCYTCJSPEN-MLBCHFTJSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[C@H](N[C@@H]4CC[N@H+]5CCCC[C@H]45)[C@@H]3C2)cc1 ZINC000385803311 324263993 /nfs/dbraw/zinc/26/39/93/324263993.db2.gz KKXWGCYTCJSPEN-MLBCHFTJSA-N 2 1 339.527 3.113 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3C[C@]3(CC)C(C)C)CC2)CC1 ZINC000579373611 325102479 /nfs/dbraw/zinc/10/24/79/325102479.db2.gz ZSHFUSQGQCDRAK-TZIWHRDSSA-N 2 1 349.563 3.124 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000580301902 325230800 /nfs/dbraw/zinc/23/08/00/325230800.db2.gz AQGVFALRZHXIGJ-DOTOQJQBSA-N 2 1 347.528 3.344 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000580301902 325230803 /nfs/dbraw/zinc/23/08/03/325230803.db2.gz AQGVFALRZHXIGJ-DOTOQJQBSA-N 2 1 347.528 3.344 20 0 EGADMP CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000580315408 325233745 /nfs/dbraw/zinc/23/37/45/325233745.db2.gz HKDATTWUEVBIST-CABCVRRESA-N 2 1 330.451 3.017 20 0 EGADMP CN(CCC[NH3+])C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000580408935 325245718 /nfs/dbraw/zinc/24/57/18/325245718.db2.gz NNQLRUROUKHEDZ-UHFFFAOYSA-N 2 1 332.492 3.264 20 0 EGADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000581543345 325370350 /nfs/dbraw/zinc/37/03/50/325370350.db2.gz CMENEVHSFUUQEJ-PMACEKPBSA-N 2 1 348.531 3.001 20 0 EGADMP CC(C)OC(=O)C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1 ZINC000583271036 325509874 /nfs/dbraw/zinc/50/98/74/325509874.db2.gz LSXDHDRXXPHUDY-GOSISDBHSA-N 2 1 329.444 3.025 20 0 EGADMP C[NH+](C)C1(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CC1 ZINC000616477352 460566360 /nfs/dbraw/zinc/56/63/60/460566360.db2.gz YUSRPVIBVWBBRS-UHFFFAOYSA-N 2 1 347.528 3.297 20 0 EGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631844964 460579967 /nfs/dbraw/zinc/57/99/67/460579967.db2.gz QKQVPSKRMUPRSJ-GWCFXTLKSA-N 2 1 340.258 3.052 20 0 EGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631844964 460579971 /nfs/dbraw/zinc/57/99/71/460579971.db2.gz QKQVPSKRMUPRSJ-GWCFXTLKSA-N 2 1 340.258 3.052 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000245613388 455341104 /nfs/dbraw/zinc/34/11/04/455341104.db2.gz UGSIAESPZLVESR-ZUMXRPEOSA-N 2 1 339.886 3.376 20 0 EGADMP CC[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H](C)C1 ZINC000245732422 455367708 /nfs/dbraw/zinc/36/77/08/455367708.db2.gz IWVSSZVDIFHGLC-LPHOPBHVSA-N 2 1 333.545 3.378 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000066812959 453876382 /nfs/dbraw/zinc/87/63/82/453876382.db2.gz UQJICDZXUMQTBS-UHFFFAOYSA-N 2 1 335.455 3.306 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000066812959 453876385 /nfs/dbraw/zinc/87/63/85/453876385.db2.gz UQJICDZXUMQTBS-UHFFFAOYSA-N 2 1 335.455 3.306 20 0 EGADMP c1ccc(COc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)nc1 ZINC000067667278 453954678 /nfs/dbraw/zinc/95/46/78/453954678.db2.gz LERZGHOXJWFXIU-UHFFFAOYSA-N 2 1 337.467 3.377 20 0 EGADMP Cc1ccc(-c2noc(C[NH+]3CCC(CC[NH+](C)C)CC3)n2)cc1 ZINC000056525158 454064988 /nfs/dbraw/zinc/06/49/88/454064988.db2.gz JOTODGHLQGQYSZ-UHFFFAOYSA-N 2 1 328.460 3.209 20 0 EGADMP COC(=O)c1oc([C@@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000245974026 455409109 /nfs/dbraw/zinc/40/91/09/455409109.db2.gz GAYDMQNGMLLBLC-CABCVRRESA-N 2 1 345.443 3.124 20 0 EGADMP COC(=O)c1oc([C@@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000245974026 455409116 /nfs/dbraw/zinc/40/91/16/455409116.db2.gz GAYDMQNGMLLBLC-CABCVRRESA-N 2 1 345.443 3.124 20 0 EGADMP C(CC[N@H+]1CCCO[C@@H]2CCC[C@H]21)C[NH+]1CCCO[C@H]2CCC[C@@H]21 ZINC000077316991 454090031 /nfs/dbraw/zinc/09/00/31/454090031.db2.gz IFBXPPGHDLXSJB-FGYAAKKASA-N 2 1 336.520 3.053 20 0 EGADMP C(CC[N@@H+]1CCCO[C@H]2CCC[C@@H]21)C[NH+]1CCCO[C@@H]2CCC[C@H]21 ZINC000077316991 454090033 /nfs/dbraw/zinc/09/00/33/454090033.db2.gz IFBXPPGHDLXSJB-FGYAAKKASA-N 2 1 336.520 3.053 20 0 EGADMP C(CC[N@H+]1CCCO[C@H]2CCC[C@@H]21)C[NH+]1CCCO[C@@H]2CCC[C@H]21 ZINC000077316991 454090035 /nfs/dbraw/zinc/09/00/35/454090035.db2.gz IFBXPPGHDLXSJB-FGYAAKKASA-N 2 1 336.520 3.053 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000069754430 454141043 /nfs/dbraw/zinc/14/10/43/454141043.db2.gz VCJCHNJWVIKLJX-UHFFFAOYSA-N 2 1 336.439 3.345 20 0 EGADMP COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1Br ZINC000069754374 454141383 /nfs/dbraw/zinc/14/13/83/454141383.db2.gz JAUKMVNEBDEIQY-UHFFFAOYSA-N 2 1 338.249 3.143 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH+](C)C2CC2)cc1 ZINC000057704868 454141641 /nfs/dbraw/zinc/14/16/41/454141641.db2.gz VXKHQTNKKUFXJE-INIZCTEOSA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000057704868 454141643 /nfs/dbraw/zinc/14/16/43/454141643.db2.gz VXKHQTNKKUFXJE-INIZCTEOSA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000057704868 454141645 /nfs/dbraw/zinc/14/16/45/454141645.db2.gz VXKHQTNKKUFXJE-INIZCTEOSA-N 2 1 331.504 3.131 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000089728345 454183552 /nfs/dbraw/zinc/18/35/52/454183552.db2.gz LRQBCJIKZYFKAG-XJKCOSOUSA-N 2 1 348.878 3.251 20 0 EGADMP Cc1nccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000130548022 454205237 /nfs/dbraw/zinc/20/52/37/454205237.db2.gz BLGQQPNEHKBVBO-INIZCTEOSA-N 2 1 328.460 3.157 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000130548022 454205246 /nfs/dbraw/zinc/20/52/46/454205246.db2.gz BLGQQPNEHKBVBO-INIZCTEOSA-N 2 1 328.460 3.157 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000119659728 454210444 /nfs/dbraw/zinc/21/04/44/454210444.db2.gz PYENTWCZMMKBFZ-ZDUSSCGKSA-N 2 1 327.472 3.194 20 0 EGADMP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130679409 454212652 /nfs/dbraw/zinc/21/26/52/454212652.db2.gz KKWPSODAAVMUBU-MRXNPFEDSA-N 2 1 347.463 3.007 20 0 EGADMP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130679409 454212658 /nfs/dbraw/zinc/21/26/58/454212658.db2.gz KKWPSODAAVMUBU-MRXNPFEDSA-N 2 1 347.463 3.007 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000119943904 454238644 /nfs/dbraw/zinc/23/86/44/454238644.db2.gz QEVQXANDZBTQRH-CVEARBPZSA-N 2 1 338.517 3.005 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000119943904 454238647 /nfs/dbraw/zinc/23/86/47/454238647.db2.gz QEVQXANDZBTQRH-CVEARBPZSA-N 2 1 338.517 3.005 20 0 EGADMP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000096003529 454260389 /nfs/dbraw/zinc/26/03/89/454260389.db2.gz YKDVPLKSZMDAST-RXVVDRJESA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000096003529 454260393 /nfs/dbraw/zinc/26/03/93/454260393.db2.gz YKDVPLKSZMDAST-RXVVDRJESA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)NC(C)(C)C ZINC000120235288 454275928 /nfs/dbraw/zinc/27/59/28/454275928.db2.gz VKLOGYLSFVAINL-SJORKVTESA-N 2 1 345.531 3.454 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000060335587 454278624 /nfs/dbraw/zinc/27/86/24/454278624.db2.gz ZNIXKLCXSILNAR-IBGZPJMESA-N 2 1 329.488 3.485 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000090177945 454289281 /nfs/dbraw/zinc/28/92/81/454289281.db2.gz ZZOQFTABOPRCPO-PBHICJAKSA-N 2 1 340.471 3.231 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000090234851 454296286 /nfs/dbraw/zinc/29/62/86/454296286.db2.gz ITQQGKVKPYCQIC-UMVBOHGHSA-N 2 1 330.394 3.446 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCCO1 ZINC000090857100 454347676 /nfs/dbraw/zinc/34/76/76/454347676.db2.gz JVUPUVSSZCKDND-WOJBJXKFSA-N 2 1 334.479 3.380 20 0 EGADMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(F)ccc1F ZINC000090937259 454353168 /nfs/dbraw/zinc/35/31/68/454353168.db2.gz RUUWVNSBLHWHES-CYBMUJFWSA-N 2 1 335.398 3.151 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000073120412 454397344 /nfs/dbraw/zinc/39/73/44/454397344.db2.gz KSBNWIPTVKMUAN-UHFFFAOYSA-N 2 1 346.519 3.167 20 0 EGADMP O[C@@H](C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C[NH+]1CCCC1 ZINC000091306332 454424793 /nfs/dbraw/zinc/42/47/93/454424793.db2.gz RYIWPFTWAXWAMS-DLBZAZTESA-N 2 1 342.405 3.203 20 0 EGADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(Cc3ccccc3)no2)CC1 ZINC000047978791 454428154 /nfs/dbraw/zinc/42/81/54/454428154.db2.gz UINCBDBEPLCUQQ-UHFFFAOYSA-N 2 1 342.487 3.214 20 0 EGADMP COc1ccc([C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C(C)C)cc1 ZINC000091336485 454429288 /nfs/dbraw/zinc/42/92/88/454429288.db2.gz DCHQYZMKJDFYLC-UYAOXDASSA-N 2 1 334.504 3.219 20 0 EGADMP CN(C)c1cc[nH+]cc1CNC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000097376334 454434218 /nfs/dbraw/zinc/43/42/18/454434218.db2.gz MEZWMNWDJYIFIK-DNVCBOLYSA-N 2 1 344.528 3.382 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H](C)C[NH+]3CCCCC3)c(C)n2n1 ZINC000121585890 454453945 /nfs/dbraw/zinc/45/39/45/454453945.db2.gz SRLZIFFLLCKBQE-GOEBONIOSA-N 2 1 329.492 3.119 20 0 EGADMP CCCOc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OC ZINC000092043494 454508271 /nfs/dbraw/zinc/50/82/71/454508271.db2.gz BXWQUDNDILBJLS-MSOLQXFVSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OC ZINC000092043494 454508274 /nfs/dbraw/zinc/50/82/74/454508274.db2.gz BXWQUDNDILBJLS-MSOLQXFVSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OC ZINC000092043494 454508277 /nfs/dbraw/zinc/50/82/77/454508277.db2.gz BXWQUDNDILBJLS-MSOLQXFVSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1OC ZINC000092043494 454508279 /nfs/dbraw/zinc/50/82/79/454508279.db2.gz BXWQUDNDILBJLS-MSOLQXFVSA-N 2 1 332.488 3.400 20 0 EGADMP C[S@@](=O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000080343547 454568134 /nfs/dbraw/zinc/56/81/34/454568134.db2.gz QQXPSLFGYAQEGT-DEOSSOPVSA-N 2 1 342.508 3.178 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000104318535 454581165 /nfs/dbraw/zinc/58/11/65/454581165.db2.gz LIRJANQBTULQIA-IBGZPJMESA-N 2 1 329.488 3.138 20 0 EGADMP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000092746333 454624219 /nfs/dbraw/zinc/62/42/19/454624219.db2.gz WZRQGHGNPGTBAH-PXNSSMCTSA-N 2 1 345.531 3.136 20 0 EGADMP COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123528919 454648423 /nfs/dbraw/zinc/64/84/23/454648423.db2.gz LAKIWSLTENXVFA-MRXNPFEDSA-N 2 1 347.503 3.076 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000135255256 454654119 /nfs/dbraw/zinc/65/41/19/454654119.db2.gz YBYWJVXQSSDFAP-NVXWUHKLSA-N 2 1 338.467 3.376 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000052208889 454661535 /nfs/dbraw/zinc/66/15/35/454661535.db2.gz NKAZMKJYIVIHIM-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc(Cl)c1OC ZINC000093088894 454680116 /nfs/dbraw/zinc/68/01/16/454680116.db2.gz IJWHOEPXGNUJAU-UHFFFAOYSA-N 2 1 326.868 3.131 20 0 EGADMP CCC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(OC)cc1 ZINC000124346842 454722162 /nfs/dbraw/zinc/72/21/62/454722162.db2.gz WLGYEVLSAIOTRH-NRFANRHFSA-N 2 1 347.547 3.400 20 0 EGADMP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCn1ccnc1C ZINC000136291006 454733592 /nfs/dbraw/zinc/73/35/92/454733592.db2.gz OPFVMEKVWONDHS-LJQANCHMSA-N 2 1 342.487 3.123 20 0 EGADMP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000136291006 454733594 /nfs/dbraw/zinc/73/35/94/454733594.db2.gz OPFVMEKVWONDHS-LJQANCHMSA-N 2 1 342.487 3.123 20 0 EGADMP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000136291006 454733597 /nfs/dbraw/zinc/73/35/97/454733597.db2.gz OPFVMEKVWONDHS-LJQANCHMSA-N 2 1 342.487 3.123 20 0 EGADMP Cc1nccn1CCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000136376445 454739132 /nfs/dbraw/zinc/73/91/32/454739132.db2.gz AMXOYBHEISJCMW-UHFFFAOYSA-N 2 1 340.515 3.426 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000136376445 454739136 /nfs/dbraw/zinc/73/91/36/454739136.db2.gz AMXOYBHEISJCMW-UHFFFAOYSA-N 3 1 340.515 3.426 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000136376445 454739143 /nfs/dbraw/zinc/73/91/43/454739143.db2.gz AMXOYBHEISJCMW-UHFFFAOYSA-N 3 1 340.515 3.426 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc(=O)oc2c1 ZINC000150755975 454887639 /nfs/dbraw/zinc/88/76/39/454887639.db2.gz ANJHWJHVTIMFAT-INIZCTEOSA-N 2 1 326.440 3.019 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc(=O)oc2c1 ZINC000150755975 454887643 /nfs/dbraw/zinc/88/76/43/454887643.db2.gz ANJHWJHVTIMFAT-INIZCTEOSA-N 2 1 326.440 3.019 20 0 EGADMP CC[C@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000164883987 454891263 /nfs/dbraw/zinc/89/12/63/454891263.db2.gz ZBIZNBVZKXYVJD-SESVDKBCSA-N 2 1 344.547 3.146 20 0 EGADMP CC[C@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000164883987 454891264 /nfs/dbraw/zinc/89/12/64/454891264.db2.gz ZBIZNBVZKXYVJD-SESVDKBCSA-N 2 1 344.547 3.146 20 0 EGADMP CC[C@H]1CCCC[NH+]1CCN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000164883987 454891265 /nfs/dbraw/zinc/89/12/65/454891265.db2.gz ZBIZNBVZKXYVJD-SESVDKBCSA-N 2 1 344.547 3.146 20 0 EGADMP CC[C@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000164883987 454891267 /nfs/dbraw/zinc/89/12/67/454891267.db2.gz ZBIZNBVZKXYVJD-SESVDKBCSA-N 2 1 344.547 3.146 20 0 EGADMP CCOc1ccccc1[C@H](C)[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000154531106 454904959 /nfs/dbraw/zinc/90/49/59/454904959.db2.gz OUASQYQHPATGQN-SFHVURJKSA-N 2 1 333.520 3.154 20 0 EGADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C)c1ccccc1 ZINC000165990973 454906733 /nfs/dbraw/zinc/90/67/33/454906733.db2.gz QFMSBJWOWYSDJT-RMVXJAJNSA-N 2 1 347.547 3.014 20 0 EGADMP COCC[NH+](C)CC[C@H](N[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000165990973 454906736 /nfs/dbraw/zinc/90/67/36/454906736.db2.gz QFMSBJWOWYSDJT-RMVXJAJNSA-N 2 1 347.547 3.014 20 0 EGADMP COCC[NH+](C)CC[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000165990973 454906739 /nfs/dbraw/zinc/90/67/39/454906739.db2.gz QFMSBJWOWYSDJT-RMVXJAJNSA-N 3 1 347.547 3.014 20 0 EGADMP CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000151061677 454931559 /nfs/dbraw/zinc/93/15/59/454931559.db2.gz ZATAPXFMAPPJJL-HNNXBMFYSA-N 2 1 340.471 3.090 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000178077681 454933125 /nfs/dbraw/zinc/93/31/25/454933125.db2.gz KPUREXYSPFVRFC-ICSRJNTNSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000151166024 454947043 /nfs/dbraw/zinc/94/70/43/454947043.db2.gz MVNDBAPBVONSFK-YJBOKZPZSA-N 2 1 336.907 3.318 20 0 EGADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000155106940 454963971 /nfs/dbraw/zinc/96/39/71/454963971.db2.gz DDCGDVPCOGABPR-CVEARBPZSA-N 2 1 344.528 3.097 20 0 EGADMP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000151491478 454992658 /nfs/dbraw/zinc/99/26/58/454992658.db2.gz OQNIKYSCAMROBV-INIZCTEOSA-N 2 1 329.488 3.484 20 0 EGADMP CC[NH+](CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000151491478 454992662 /nfs/dbraw/zinc/99/26/62/454992662.db2.gz OQNIKYSCAMROBV-INIZCTEOSA-N 2 1 329.488 3.484 20 0 EGADMP CC[NH+](CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000151491478 454992666 /nfs/dbraw/zinc/99/26/66/454992666.db2.gz OQNIKYSCAMROBV-INIZCTEOSA-N 2 1 329.488 3.484 20 0 EGADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128299662 455043481 /nfs/dbraw/zinc/04/34/81/455043481.db2.gz CSXQMQODHMHBFS-QGZVFWFLSA-N 2 1 329.488 3.419 20 0 EGADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)N(C)C1CCCCC1 ZINC000116395986 455055049 /nfs/dbraw/zinc/05/50/49/455055049.db2.gz UFINSGHBLRMFAA-NVXWUHKLSA-N 2 1 325.541 3.122 20 0 EGADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)N(C)C1CCCCC1 ZINC000116395983 455055298 /nfs/dbraw/zinc/05/52/98/455055298.db2.gz UFINSGHBLRMFAA-WBVHZDCISA-N 2 1 325.541 3.122 20 0 EGADMP CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000116396407 455055376 /nfs/dbraw/zinc/05/53/76/455055376.db2.gz OREKQMWNHJCSIY-MAUKXSAKSA-N 2 1 349.519 3.368 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000623656474 460662737 /nfs/dbraw/zinc/66/27/37/460662737.db2.gz VEGFRIWFSMVPCI-OAHLLOKOSA-N 2 1 330.394 3.449 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000152401178 455113554 /nfs/dbraw/zinc/11/35/54/455113554.db2.gz PUZDCDYNGHPYMZ-ZIAGYGMSSA-N 2 1 327.472 3.051 20 0 EGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccncc1 ZINC000156440743 455118283 /nfs/dbraw/zinc/11/82/83/455118283.db2.gz VWQUOTAREMFTCB-GHTZIAJQSA-N 2 1 338.499 3.111 20 0 EGADMP CCOc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)CCOCC2)cc1 ZINC000152458894 455121880 /nfs/dbraw/zinc/12/18/80/455121880.db2.gz MCPGBGIXBUUHFP-FXAWDEMLSA-N 2 1 346.515 3.063 20 0 EGADMP Fc1cccc(CNC[C@H]2CC[N@H+](C3CC3)C2)c1Br ZINC000156706330 455145521 /nfs/dbraw/zinc/14/55/21/455145521.db2.gz XGNFCFDJQXPZOV-LLVKDONJSA-N 2 1 327.241 3.162 20 0 EGADMP O=C(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccccc1F ZINC000172575409 455162543 /nfs/dbraw/zinc/16/25/43/455162543.db2.gz JMLLOONUMKXEOJ-MRXNPFEDSA-N 2 1 333.451 3.105 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2([NH3+])CCCCC2)cc1 ZINC000237347957 455176358 /nfs/dbraw/zinc/17/63/58/455176358.db2.gz KAOOLWXGFOWPFO-QGZVFWFLSA-N 2 1 343.515 3.339 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180486909 455179605 /nfs/dbraw/zinc/17/96/05/455179605.db2.gz BPXAPUXBYKVUGL-QGZVFWFLSA-N 2 1 326.488 3.251 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180486909 455179607 /nfs/dbraw/zinc/17/96/07/455179607.db2.gz BPXAPUXBYKVUGL-QGZVFWFLSA-N 2 1 326.488 3.251 20 0 EGADMP C[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000237398316 455182344 /nfs/dbraw/zinc/18/23/44/455182344.db2.gz BHYUEASTMJZXII-XLIONFOSSA-N 2 1 339.483 3.103 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000237520648 455191461 /nfs/dbraw/zinc/19/14/61/455191461.db2.gz CQTPZOCTCNVBSI-LAUBAEHRSA-N 2 1 343.515 3.209 20 0 EGADMP C[NH+](C)CCNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000180608268 455207224 /nfs/dbraw/zinc/20/72/24/455207224.db2.gz PYEWMJYUPMWJQI-UHFFFAOYSA-N 2 1 332.492 3.134 20 0 EGADMP COc1cccc2cc([C@H](C)[NH2+]CCCC[N@H+]3CCC[C@H]3CO)oc21 ZINC000245840180 455384229 /nfs/dbraw/zinc/38/42/29/455384229.db2.gz DGWPHUSAAPUKFV-RDJZCZTQSA-N 2 1 346.471 3.329 20 0 EGADMP COc1cccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000190910837 455403274 /nfs/dbraw/zinc/40/32/74/455403274.db2.gz MVKOZDFHSXVTLK-OAHLLOKOSA-N 2 1 331.485 3.154 20 0 EGADMP COc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000190910837 455403278 /nfs/dbraw/zinc/40/32/78/455403278.db2.gz MVKOZDFHSXVTLK-OAHLLOKOSA-N 2 1 331.485 3.154 20 0 EGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)CCc3ccccc3)C2)CC1 ZINC000182294547 455482266 /nfs/dbraw/zinc/48/22/66/455482266.db2.gz ZHHQAYOZWUKUJY-FGZHOGPDSA-N 2 1 344.543 3.424 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000191483486 455488426 /nfs/dbraw/zinc/48/84/26/455488426.db2.gz HVVFFIMUJQLMDL-LXPRWKDFSA-N 2 1 348.535 3.241 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000191483486 455488430 /nfs/dbraw/zinc/48/84/30/455488430.db2.gz HVVFFIMUJQLMDL-LXPRWKDFSA-N 2 1 348.535 3.241 20 0 EGADMP CC(C)O[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1(C)C ZINC000185240882 455527761 /nfs/dbraw/zinc/52/77/61/455527761.db2.gz KHKJHDRGCJMADV-QZTJIDSGSA-N 2 1 338.536 3.203 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000246915482 455535419 /nfs/dbraw/zinc/53/54/19/455535419.db2.gz GLRWERFVGCBRLL-HZPDHXFCSA-N 2 1 331.460 3.026 20 0 EGADMP CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247030557 455546375 /nfs/dbraw/zinc/54/63/75/455546375.db2.gz YJIOKEYBOPQVQH-RBUKOAKNSA-N 2 1 330.472 3.168 20 0 EGADMP CC(C)OC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247030557 455546380 /nfs/dbraw/zinc/54/63/80/455546380.db2.gz YJIOKEYBOPQVQH-RBUKOAKNSA-N 2 1 330.472 3.168 20 0 EGADMP CC(C)OC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247030557 455546382 /nfs/dbraw/zinc/54/63/82/455546382.db2.gz YJIOKEYBOPQVQH-RBUKOAKNSA-N 2 1 330.472 3.168 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)CC(C)C)c2)[C@@H](C)C1 ZINC000247036891 455548963 /nfs/dbraw/zinc/54/89/63/455548963.db2.gz MNWFVKYMJFDXRX-QFBILLFUSA-N 2 1 331.504 3.491 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)CC(C)C)c2)[C@@H](C)C1 ZINC000247036891 455548964 /nfs/dbraw/zinc/54/89/64/455548964.db2.gz MNWFVKYMJFDXRX-QFBILLFUSA-N 2 1 331.504 3.491 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(N(C)C)nc3ccccc23)[C@@H](C)C1 ZINC000247076692 455555260 /nfs/dbraw/zinc/55/52/60/455555260.db2.gz NIWIRZWFTUENFH-MAUKXSAKSA-N 2 1 326.488 3.121 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000292206732 455595929 /nfs/dbraw/zinc/59/59/29/455595929.db2.gz YOBDRYRIGOYLLC-PXNSSMCTSA-N 2 1 343.515 3.067 20 0 EGADMP C[N@@H+]1CC[C@]2(CC[NH+](CCOc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000292210227 455597657 /nfs/dbraw/zinc/59/76/57/455597657.db2.gz UAVRVNASTWDZAU-INIZCTEOSA-N 2 1 328.378 3.112 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+](CCOc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000292210227 455597658 /nfs/dbraw/zinc/59/76/58/455597658.db2.gz UAVRVNASTWDZAU-INIZCTEOSA-N 2 1 328.378 3.112 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](CCOc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000292210227 455597662 /nfs/dbraw/zinc/59/76/62/455597662.db2.gz UAVRVNASTWDZAU-INIZCTEOSA-N 2 1 328.378 3.112 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCOc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000292210227 455597663 /nfs/dbraw/zinc/59/76/63/455597663.db2.gz UAVRVNASTWDZAU-INIZCTEOSA-N 2 1 328.378 3.112 20 0 EGADMP C[C@H]([NH2+]CC(=O)NCCC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185696896 455599441 /nfs/dbraw/zinc/59/94/41/455599441.db2.gz DGUXXBULRXRVET-HKUYNNGSSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@H]([NH2+]CC(=O)NCCC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185696896 455599448 /nfs/dbraw/zinc/59/94/48/455599448.db2.gz DGUXXBULRXRVET-HKUYNNGSSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185696527 455599991 /nfs/dbraw/zinc/59/99/91/455599991.db2.gz CIRHCZSAHGBIEH-CHWSQXEVSA-N 2 1 344.425 3.182 20 0 EGADMP C[C@@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185696527 455599992 /nfs/dbraw/zinc/59/99/92/455599992.db2.gz CIRHCZSAHGBIEH-CHWSQXEVSA-N 2 1 344.425 3.182 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185708419 455601716 /nfs/dbraw/zinc/60/17/16/455601716.db2.gz CFJCKUNZRCHDPD-DEYYWGMASA-N 2 1 338.442 3.241 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(F)c1 ZINC000185730589 455609267 /nfs/dbraw/zinc/60/92/67/455609267.db2.gz JETOCIDPSZWMCV-RHSMWYFYSA-N 2 1 348.462 3.355 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(F)c1 ZINC000185730589 455609270 /nfs/dbraw/zinc/60/92/70/455609270.db2.gz JETOCIDPSZWMCV-RHSMWYFYSA-N 2 1 348.462 3.355 20 0 EGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000284193486 455649681 /nfs/dbraw/zinc/64/96/81/455649681.db2.gz RSJJJBRXEWLDCZ-SFHVURJKSA-N 2 1 347.503 3.361 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000284193486 455649683 /nfs/dbraw/zinc/64/96/83/455649683.db2.gz RSJJJBRXEWLDCZ-SFHVURJKSA-N 2 1 347.503 3.361 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000271476505 455652396 /nfs/dbraw/zinc/65/23/96/455652396.db2.gz JSPVSYNLERCRDR-BYCMXARLSA-N 2 1 331.287 3.347 20 0 EGADMP CCCC[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247937451 455658154 /nfs/dbraw/zinc/65/81/54/455658154.db2.gz CPTCKJCUPFOURV-VQIMIIECSA-N 2 1 331.504 3.052 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000192717149 455677273 /nfs/dbraw/zinc/67/72/73/455677273.db2.gz KBFSOHINBLSMCP-INIZCTEOSA-N 2 1 339.474 3.374 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(OC(F)F)cc1 ZINC000248130966 455685591 /nfs/dbraw/zinc/68/55/91/455685591.db2.gz OKOMLOHBQZNPGB-ZBFHGGJFSA-N 2 1 342.430 3.176 20 0 EGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(F)ccc1F ZINC000248178049 455695942 /nfs/dbraw/zinc/69/59/42/455695942.db2.gz VYNQNELUEGPZTJ-YJBOKZPZSA-N 2 1 326.431 3.242 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+][C@@H]4C[C@H]5CC[C@@H]4O5)[C@H]3C2)cc1 ZINC000248401962 455713850 /nfs/dbraw/zinc/71/38/50/455713850.db2.gz MNGBZGVUMXZYQD-ONCDUWEWSA-N 2 1 326.484 3.197 20 0 EGADMP COC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192923194 455718786 /nfs/dbraw/zinc/71/87/86/455718786.db2.gz JMPALJXEOZTAKB-YADHBBJMSA-N 2 1 338.495 3.356 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000268898183 455723232 /nfs/dbraw/zinc/72/32/32/455723232.db2.gz OAOUXFNQGXHUFG-IMFGXOCKSA-N 2 1 328.456 3.130 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000268898188 455723593 /nfs/dbraw/zinc/72/35/93/455723593.db2.gz OAOUXFNQGXHUFG-YVWKXTFCSA-N 2 1 328.456 3.130 20 0 EGADMP CC(C)c1nnc(CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[nH]1 ZINC000292672431 455727899 /nfs/dbraw/zinc/72/78/99/455727899.db2.gz CISSADRJNWPLAC-KRWDZBQOSA-N 2 1 341.503 3.318 20 0 EGADMP COc1ccsc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000186283560 455733767 /nfs/dbraw/zinc/73/37/67/455733767.db2.gz VDXWFRSXFWLYPD-PBHICJAKSA-N 2 1 346.496 3.174 20 0 EGADMP CC[C@H]1Oc2cc([C@@H](C)[NH2+]CCCn3cc[nH+]c3C)ccc2NC1=O ZINC000271739912 455741242 /nfs/dbraw/zinc/74/12/42/455741242.db2.gz PJCNQBOSEQEMLJ-CXAGYDPISA-N 2 1 342.443 3.042 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(Cl)c(Br)c2)CC1 ZINC000271788295 455760798 /nfs/dbraw/zinc/76/07/98/455760798.db2.gz GEMZXBCMMOVSIM-UHFFFAOYSA-N 2 1 329.669 3.454 20 0 EGADMP COC(=O)c1cc([C@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)oc1C ZINC000292780810 455755283 /nfs/dbraw/zinc/75/52/83/455755283.db2.gz ZBHXXRGEGIPCTM-WFASDCNBSA-N 2 1 331.416 3.105 20 0 EGADMP COC(=O)c1cc([C@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)oc1C ZINC000292780810 455755288 /nfs/dbraw/zinc/75/52/88/455755288.db2.gz ZBHXXRGEGIPCTM-WFASDCNBSA-N 2 1 331.416 3.105 20 0 EGADMP Cc1ccc2ccccc2c1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000269038209 455770787 /nfs/dbraw/zinc/77/07/87/455770787.db2.gz UQYKAVWDUZCERN-UHFFFAOYSA-N 2 1 326.484 3.427 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cccnc3Cl)CC2)nc(C)[nH+]1 ZINC000269063785 455780605 /nfs/dbraw/zinc/78/06/05/455780605.db2.gz KVKZWCUSWFBOCS-CYBMUJFWSA-N 2 1 345.878 3.461 20 0 EGADMP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000249973081 455783495 /nfs/dbraw/zinc/78/34/95/455783495.db2.gz KOSFVPRLLNQKKB-XIYVOTBMSA-N 2 1 328.500 3.038 20 0 EGADMP CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccnc1 ZINC000186519936 455785139 /nfs/dbraw/zinc/78/51/39/455785139.db2.gz VBEDHZGYSUVCGF-SFTDATJTSA-N 2 1 339.483 3.279 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4C[C@@H]5OCCC[C@@H]45)[C@@H]3C2)cc1 ZINC000250121916 455785535 /nfs/dbraw/zinc/78/55/35/455785535.db2.gz VNKFOIDBWWGRMY-QKKHWQHCSA-N 2 1 326.484 3.054 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c(Br)c1 ZINC000271872507 455794239 /nfs/dbraw/zinc/79/42/39/455794239.db2.gz NCMQRKDBHPORDP-GFCCVEGCSA-N 2 1 339.277 3.370 20 0 EGADMP COCCSCCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000278311722 455813990 /nfs/dbraw/zinc/81/39/90/455813990.db2.gz BKHOIBUWGAJXAS-LJQANCHMSA-N 2 1 336.545 3.210 20 0 EGADMP COCCSCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278311722 455813995 /nfs/dbraw/zinc/81/39/95/455813995.db2.gz BKHOIBUWGAJXAS-LJQANCHMSA-N 2 1 336.545 3.210 20 0 EGADMP COCCSCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278311722 455813999 /nfs/dbraw/zinc/81/39/99/455813999.db2.gz BKHOIBUWGAJXAS-LJQANCHMSA-N 2 1 336.545 3.210 20 0 EGADMP CCN(C)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000253351563 455833417 /nfs/dbraw/zinc/83/34/17/455833417.db2.gz KWRLNTFAACJLER-AEFFLSMTSA-N 2 1 330.520 3.280 20 0 EGADMP CCC(=O)N1CC[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000285407314 455838839 /nfs/dbraw/zinc/83/88/39/455838839.db2.gz XNEZRYSNVPQTPL-GPJFCIFZSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000617001266 460697704 /nfs/dbraw/zinc/69/77/04/460697704.db2.gz LIGYQYGCKCUMKM-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000617001266 460697709 /nfs/dbraw/zinc/69/77/09/460697709.db2.gz LIGYQYGCKCUMKM-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000617001266 460697713 /nfs/dbraw/zinc/69/77/13/460697713.db2.gz LIGYQYGCKCUMKM-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272209592 455877763 /nfs/dbraw/zinc/87/77/63/455877763.db2.gz PZCONSSUSVHLAL-FUHWJXTLSA-N 2 1 347.503 3.011 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000261400086 455902627 /nfs/dbraw/zinc/90/26/27/455902627.db2.gz FSZYAHFQSINLQJ-RTWAWAEBSA-N 2 1 326.484 3.466 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000261400086 455902630 /nfs/dbraw/zinc/90/26/30/455902630.db2.gz FSZYAHFQSINLQJ-RTWAWAEBSA-N 2 1 326.484 3.466 20 0 EGADMP C[N@H+]1CCC[C@H]1CCN1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744837 455907608 /nfs/dbraw/zinc/90/76/08/455907608.db2.gz YJDHPMPJUXZBRN-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@H]1CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285744837 455907612 /nfs/dbraw/zinc/90/76/12/455907612.db2.gz YJDHPMPJUXZBRN-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@H]1CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285744837 455907614 /nfs/dbraw/zinc/90/76/14/455907614.db2.gz YJDHPMPJUXZBRN-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272307528 455909284 /nfs/dbraw/zinc/90/92/84/455909284.db2.gz IDFXZKZSRCJZRL-NSHGMRRFSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000285769251 455911967 /nfs/dbraw/zinc/91/19/67/455911967.db2.gz SRODUHMTVLQJQY-HZPDHXFCSA-N 2 1 345.487 3.180 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2CC[NH3+])cc1 ZINC000286097822 455976326 /nfs/dbraw/zinc/97/63/26/455976326.db2.gz NKORIHHVFPSSCL-LJQANCHMSA-N 2 1 331.504 3.262 20 0 EGADMP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2SC)CC1 ZINC000262011246 455985416 /nfs/dbraw/zinc/98/54/16/455985416.db2.gz UHMPIXLSRVOHTH-CQSZACIVSA-N 2 1 335.517 3.057 20 0 EGADMP CC[C@@H](C)NC(=O)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286165594 455992415 /nfs/dbraw/zinc/99/24/15/455992415.db2.gz QBVHUASLLKZPNI-QHGAOEGBSA-N 2 1 345.531 3.324 20 0 EGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000270598429 455993571 /nfs/dbraw/zinc/99/35/71/455993571.db2.gz GLEYZGXHXGHEDE-SFHVURJKSA-N 2 1 337.471 3.404 20 0 EGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000270598429 455993576 /nfs/dbraw/zinc/99/35/76/455993576.db2.gz GLEYZGXHXGHEDE-SFHVURJKSA-N 2 1 337.471 3.404 20 0 EGADMP Cc1noc(C)c1CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272559490 455994449 /nfs/dbraw/zinc/99/44/49/455994449.db2.gz UGFKTQUEBDTLSS-HNAYVOBHSA-N 2 1 327.472 3.334 20 0 EGADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)o1 ZINC000272588828 456003678 /nfs/dbraw/zinc/00/36/78/456003678.db2.gz RQXBOJWONGILBR-IYWMVGAKSA-N 2 1 340.467 3.122 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286345253 456028762 /nfs/dbraw/zinc/02/87/62/456028762.db2.gz ZAGBCKHOVJYZHD-ROUUACIJSA-N 2 1 341.503 3.286 20 0 EGADMP Clc1c2ccccc2sc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000262451127 456036649 /nfs/dbraw/zinc/03/66/49/456036649.db2.gz HTAYNHJKIQUCPI-CYBMUJFWSA-N 2 1 335.904 3.034 20 0 EGADMP O=C(CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000262476886 456039707 /nfs/dbraw/zinc/03/97/07/456039707.db2.gz JQJGJPFVODYHTC-INIZCTEOSA-N 2 1 342.270 3.007 20 0 EGADMP Brc1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cs1 ZINC000220378931 456040264 /nfs/dbraw/zinc/04/02/64/456040264.db2.gz RQAICXHJFOGJMG-LLVKDONJSA-N 2 1 329.307 3.475 20 0 EGADMP Brc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cs1 ZINC000220378931 456040267 /nfs/dbraw/zinc/04/02/67/456040267.db2.gz RQAICXHJFOGJMG-LLVKDONJSA-N 2 1 329.307 3.475 20 0 EGADMP Cc1ccc([C@H]([NH3+])C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000262614824 456046929 /nfs/dbraw/zinc/04/69/29/456046929.db2.gz CMJBEDDAZUCVME-XLIONFOSSA-N 2 1 339.483 3.022 20 0 EGADMP Cc1ccncc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000272730672 456054525 /nfs/dbraw/zinc/05/45/25/456054525.db2.gz IJVZIFXBNRRKHN-PXNSSMCTSA-N 2 1 339.483 3.198 20 0 EGADMP Cc1ccsc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272800954 456073236 /nfs/dbraw/zinc/07/32/36/456073236.db2.gz ZQKASVPSIUTGJN-MAUKXSAKSA-N 2 1 330.497 3.474 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000270998615 456092657 /nfs/dbraw/zinc/09/26/57/456092657.db2.gz JSTKRSCLDCMCAH-UHFFFAOYSA-N 2 1 328.460 3.428 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000270998615 456092661 /nfs/dbraw/zinc/09/26/61/456092661.db2.gz JSTKRSCLDCMCAH-UHFFFAOYSA-N 2 1 328.460 3.428 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000263302300 456122638 /nfs/dbraw/zinc/12/26/38/456122638.db2.gz ZSPDFDHODUEHKQ-QRQLOZEOSA-N 2 1 331.504 3.093 20 0 EGADMP CCOc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)ccc1OCC(F)(F)F ZINC000263690657 456193604 /nfs/dbraw/zinc/19/36/04/456193604.db2.gz OSMOFSFSCTWHDQ-ZDUSSCGKSA-N 2 1 348.409 3.456 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000301762334 456207748 /nfs/dbraw/zinc/20/77/48/456207748.db2.gz NESUWFXNJLJNAJ-IRXDYDNUSA-N 2 1 339.524 3.096 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000237052910 456225100 /nfs/dbraw/zinc/22/51/00/456225100.db2.gz RBIHKTKAYJSRPF-PKOBYXMFSA-N 2 1 345.531 3.483 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc4[nH]ccc43)cc2)CC1 ZINC000237089914 456229607 /nfs/dbraw/zinc/22/96/07/456229607.db2.gz TWIYUCMJRFUSQP-UHFFFAOYSA-N 2 1 348.494 3.205 20 0 EGADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000237084998 456230532 /nfs/dbraw/zinc/23/05/32/456230532.db2.gz DPCILXPREVTPHM-TXPKVOOTSA-N 2 1 331.504 3.051 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)C1([NH3+])CCCC1)C1CCCCC1 ZINC000237151095 456238663 /nfs/dbraw/zinc/23/86/63/456238663.db2.gz ORSANNWXVFIILJ-UHFFFAOYSA-N 2 1 343.515 3.339 20 0 EGADMP C[NH2+]CCCC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000237148317 456239093 /nfs/dbraw/zinc/23/90/93/456239093.db2.gz JVFQRDZOYPAMKD-UHFFFAOYSA-N 2 1 343.515 3.033 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297521622 456242544 /nfs/dbraw/zinc/24/25/44/456242544.db2.gz WUHCQOIZGHLKQJ-GOOCMWNKSA-N 2 1 330.501 3.296 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297521622 456242552 /nfs/dbraw/zinc/24/25/52/456242552.db2.gz WUHCQOIZGHLKQJ-GOOCMWNKSA-N 2 1 330.501 3.296 20 0 EGADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000290265977 456277055 /nfs/dbraw/zinc/27/70/55/456277055.db2.gz XYGXKWLAHOEXMI-SJLPKXTDSA-N 2 1 329.488 3.375 20 0 EGADMP COc1cccc(C(C)(C)C[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352761294 456283236 /nfs/dbraw/zinc/28/32/36/456283236.db2.gz VQFLHOOXLHPBNF-UHFFFAOYSA-N 2 1 333.501 3.281 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CN[C@H]1CCn2ccnc21 ZINC000297853884 456309175 /nfs/dbraw/zinc/30/91/75/456309175.db2.gz SZYBOANZAQHRMR-IBGZPJMESA-N 2 1 336.439 3.343 20 0 EGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1c[nH]c2nccnc12 ZINC000290384555 456311415 /nfs/dbraw/zinc/31/14/15/456311415.db2.gz IWZJSELIYZUMGM-INIZCTEOSA-N 2 1 346.438 3.281 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)N2CCCCCC2)C[C@H]1c1ccccc1 ZINC000340215017 456319801 /nfs/dbraw/zinc/31/98/01/456319801.db2.gz NRNCOGNBZWBVKC-UXHICEINSA-N 2 1 343.515 3.204 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)N2CCCCCC2)C[C@H]1c1ccccc1 ZINC000340215017 456319809 /nfs/dbraw/zinc/31/98/09/456319809.db2.gz NRNCOGNBZWBVKC-UXHICEINSA-N 2 1 343.515 3.204 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccccc2)C[C@H]1C ZINC000342935902 456324324 /nfs/dbraw/zinc/32/43/24/456324324.db2.gz CBSVGIWEKHYOAG-APWZRJJASA-N 2 1 326.488 3.392 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccccc2)C[C@H]1C ZINC000342935902 456324327 /nfs/dbraw/zinc/32/43/27/456324327.db2.gz CBSVGIWEKHYOAG-APWZRJJASA-N 2 1 326.488 3.392 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccccc2)C[C@H]1C ZINC000342935902 456324332 /nfs/dbraw/zinc/32/43/32/456324332.db2.gz CBSVGIWEKHYOAG-APWZRJJASA-N 2 1 326.488 3.392 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccccc2)C[C@H]1C ZINC000342935902 456324335 /nfs/dbraw/zinc/32/43/35/456324335.db2.gz CBSVGIWEKHYOAG-APWZRJJASA-N 2 1 326.488 3.392 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(-n3cncn3)c2)C[C@@H]1c1ccccc1 ZINC000340243581 456336380 /nfs/dbraw/zinc/33/63/80/456336380.db2.gz HHQOZVNDTKIMKI-TZIWHRDSSA-N 2 1 347.466 3.192 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(-n3cncn3)c2)C[C@@H]1c1ccccc1 ZINC000340243581 456336385 /nfs/dbraw/zinc/33/63/85/456336385.db2.gz HHQOZVNDTKIMKI-TZIWHRDSSA-N 2 1 347.466 3.192 20 0 EGADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352823804 456340057 /nfs/dbraw/zinc/34/00/57/456340057.db2.gz LKRZBTJFZIYMNK-NRFANRHFSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)C(C)(C)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352823804 456340062 /nfs/dbraw/zinc/34/00/62/456340062.db2.gz LKRZBTJFZIYMNK-NRFANRHFSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)C(C)(C)CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352823804 456340067 /nfs/dbraw/zinc/34/00/67/456340067.db2.gz LKRZBTJFZIYMNK-NRFANRHFSA-N 2 1 344.499 3.174 20 0 EGADMP CC(C)OC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337327287 456346326 /nfs/dbraw/zinc/34/63/26/456346326.db2.gz DBAFNQNFSKSQSD-KURKYZTESA-N 2 1 334.504 3.199 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H]3CCC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000340276530 456356776 /nfs/dbraw/zinc/35/67/76/456356776.db2.gz GGXYSTUQIUJZKK-HLLBOEOZSA-N 2 1 330.463 3.243 20 0 EGADMP COc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c(C)c1OC ZINC000347782218 456366060 /nfs/dbraw/zinc/36/60/60/456366060.db2.gz PFOUVZVSLDVVOI-UHFFFAOYSA-N 2 1 343.471 3.200 20 0 EGADMP C[C@H]1CN([C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+](C2CCC2)C1 ZINC000298144467 456374753 /nfs/dbraw/zinc/37/47/53/456374753.db2.gz QZXXGPCDMVDYOE-NQIIRXRSSA-N 2 1 327.516 3.067 20 0 EGADMP C[C@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+](C2CCC2)C1 ZINC000298144467 456374758 /nfs/dbraw/zinc/37/47/58/456374758.db2.gz QZXXGPCDMVDYOE-NQIIRXRSSA-N 2 1 327.516 3.067 20 0 EGADMP CCOc1c(OC)cc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000290632610 456389125 /nfs/dbraw/zinc/38/91/25/456389125.db2.gz YCBXGQFNZYOUSO-UHFFFAOYSA-N 2 1 347.459 3.130 20 0 EGADMP CCOc1c(OC)cc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000290632610 456389131 /nfs/dbraw/zinc/38/91/31/456389131.db2.gz YCBXGQFNZYOUSO-UHFFFAOYSA-N 2 1 347.459 3.130 20 0 EGADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)cc1 ZINC000290715316 456412536 /nfs/dbraw/zinc/41/25/36/456412536.db2.gz KSRIMZHKZOMUKR-QGZVFWFLSA-N 2 1 340.471 3.234 20 0 EGADMP Cc1ccc2c(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)ccc(O)c2n1 ZINC000352922341 456414900 /nfs/dbraw/zinc/41/49/00/456414900.db2.gz QHRMUYKZZBIIBI-SJPCQFCGSA-N 2 1 325.456 3.306 20 0 EGADMP Cc1ccc2c(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccc(O)c2n1 ZINC000352922341 456414908 /nfs/dbraw/zinc/41/49/08/456414908.db2.gz QHRMUYKZZBIIBI-SJPCQFCGSA-N 2 1 325.456 3.306 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000340410965 456444131 /nfs/dbraw/zinc/44/41/31/456444131.db2.gz NWSQHUCXZGJJCN-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000340410965 456444135 /nfs/dbraw/zinc/44/41/35/456444135.db2.gz NWSQHUCXZGJJCN-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP COC[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000290847797 456445717 /nfs/dbraw/zinc/44/57/17/456445717.db2.gz ZGFVKQXVHMMVSQ-MAUKXSAKSA-N 2 1 340.895 3.118 20 0 EGADMP COC[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000290847797 456445722 /nfs/dbraw/zinc/44/57/22/456445722.db2.gz ZGFVKQXVHMMVSQ-MAUKXSAKSA-N 2 1 340.895 3.118 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@H]3CCCC34CCOCC4)C2)cc1 ZINC000282257712 456459245 /nfs/dbraw/zinc/45/92/45/456459245.db2.gz QSBTWYOXECNOKV-SFTDATJTSA-N 2 1 342.527 3.490 20 0 EGADMP CN(Cc1ncc(C[NH+](C)C)s1)C(C)(C)C[NH+]1CCCCCC1 ZINC000348190330 456525428 /nfs/dbraw/zinc/52/54/28/456525428.db2.gz AMWGUGYLPKANMA-UHFFFAOYSA-N 2 1 338.565 3.291 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CC1(C)C ZINC000282498954 456533305 /nfs/dbraw/zinc/53/33/05/456533305.db2.gz YAELPRAJJNNSMI-OALUTQOASA-N 2 1 333.495 3.077 20 0 EGADMP CC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282498286 456533416 /nfs/dbraw/zinc/53/34/16/456533416.db2.gz RQEZTSKUMSKZKY-FQEVSTJZSA-N 2 1 329.532 3.361 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccccc3)o2)CC1(C)C ZINC000282512891 456537997 /nfs/dbraw/zinc/53/79/97/456537997.db2.gz XONNHYDXBNPBQT-UHFFFAOYSA-N 2 1 327.472 3.062 20 0 EGADMP CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000348232253 456554748 /nfs/dbraw/zinc/55/47/48/456554748.db2.gz QPSJAWZKQSTHCV-NIKGAXFTSA-N 2 1 329.444 3.025 20 0 EGADMP COc1ncc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309707288 456574789 /nfs/dbraw/zinc/57/47/89/456574789.db2.gz IKAUSUHXPMKGAD-HOCLYGCPSA-N 2 1 331.485 3.152 20 0 EGADMP COc1ncc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309707288 456574796 /nfs/dbraw/zinc/57/47/96/456574796.db2.gz IKAUSUHXPMKGAD-HOCLYGCPSA-N 2 1 331.485 3.152 20 0 EGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000291267738 456585346 /nfs/dbraw/zinc/58/53/46/456585346.db2.gz XRUNQRCCNHKHOV-SFTDATJTSA-N 2 1 330.516 3.487 20 0 EGADMP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000353252559 456589418 /nfs/dbraw/zinc/58/94/18/456589418.db2.gz JESJLBWNPYHPKI-KRWDZBQOSA-N 2 1 339.483 3.026 20 0 EGADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000353252559 456589424 /nfs/dbraw/zinc/58/94/24/456589424.db2.gz JESJLBWNPYHPKI-KRWDZBQOSA-N 2 1 339.483 3.026 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CC4CCOCC4)C3)C2)cc1 ZINC000340692035 456628886 /nfs/dbraw/zinc/62/88/86/456628886.db2.gz RIMWFPCEJYXLJT-OAQYLSRUSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CC4CCOCC4)C3)C2)cc1 ZINC000340692035 456628894 /nfs/dbraw/zinc/62/88/94/456628894.db2.gz RIMWFPCEJYXLJT-OAQYLSRUSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CC4CCOCC4)C3)C2)cc1 ZINC000340692035 456628900 /nfs/dbraw/zinc/62/89/00/456628900.db2.gz RIMWFPCEJYXLJT-OAQYLSRUSA-N 2 1 328.500 3.401 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCC[NH+](C)[C@@H]2C)cc1)C(C)C ZINC000343455460 456632543 /nfs/dbraw/zinc/63/25/43/456632543.db2.gz PXVRQQCXAGYEHI-VQIMIIECSA-N 2 1 331.504 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc1)C(C)C ZINC000343455460 456632548 /nfs/dbraw/zinc/63/25/48/456632548.db2.gz PXVRQQCXAGYEHI-VQIMIIECSA-N 2 1 331.504 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1)C(C)C ZINC000343455460 456632552 /nfs/dbraw/zinc/63/25/52/456632552.db2.gz PXVRQQCXAGYEHI-VQIMIIECSA-N 2 1 331.504 3.129 20 0 EGADMP Cn1cc(-c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)s2)cn1 ZINC000282832949 456639161 /nfs/dbraw/zinc/63/91/61/456639161.db2.gz QRQZHFBBUMGJPW-OAHLLOKOSA-N 2 1 330.501 3.066 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)s2)cn1 ZINC000282832949 456639166 /nfs/dbraw/zinc/63/91/66/456639166.db2.gz QRQZHFBBUMGJPW-OAHLLOKOSA-N 2 1 330.501 3.066 20 0 EGADMP O[C@@H]1CCC[C@]1(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000277012500 456652888 /nfs/dbraw/zinc/65/28/88/456652888.db2.gz CELICMMBLCHHBX-UWHLTILDSA-N 2 1 346.490 3.116 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000282952069 456673354 /nfs/dbraw/zinc/67/33/54/456673354.db2.gz HEWAMLPHYFPWNJ-PXNSSMCTSA-N 2 1 326.488 3.082 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000338189424 456693768 /nfs/dbraw/zinc/69/37/68/456693768.db2.gz HJFIINKRYDGRIU-OAQYLSRUSA-N 2 1 338.499 3.470 20 0 EGADMP C[C@H]([NH2+][C@@H]1COc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000328215128 456711000 /nfs/dbraw/zinc/71/10/00/456711000.db2.gz JSFYFQYHGSHHAB-WMQCIHAUSA-N 2 1 336.479 3.490 20 0 EGADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000343573149 456716374 /nfs/dbraw/zinc/71/63/74/456716374.db2.gz BRCDZLLNLKRMDT-UHFFFAOYSA-N 2 1 343.515 3.168 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@H+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000283270558 456748726 /nfs/dbraw/zinc/74/87/26/456748726.db2.gz WQBOVQISFRBHMO-JOCHJYFZSA-N 2 1 349.522 3.488 20 0 EGADMP C[C@@H]1C[N@H+]([C@@H]2CCCc3ccc(F)cc32)CCN1C1CC[NH+](C)CC1 ZINC000343692110 456767858 /nfs/dbraw/zinc/76/78/58/456767858.db2.gz AQWYUPLXAKAJOG-IIBYNOLFSA-N 2 1 345.506 3.303 20 0 EGADMP CC(C)SCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000338321645 456769912 /nfs/dbraw/zinc/76/99/12/456769912.db2.gz UWICOZLZFPTJRD-CALCHBBNSA-N 2 1 328.566 3.339 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2[C@@H](C)C[NH+](CC)C[C@@H]2C)cc1 ZINC000344421153 456826611 /nfs/dbraw/zinc/82/66/11/456826611.db2.gz HANIZBVCCOSARV-ROUUACIJSA-N 2 1 345.531 3.473 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000292013695 456829988 /nfs/dbraw/zinc/82/99/88/456829988.db2.gz BSGGSSVXCFAOFE-IAGOWNOFSA-N 2 1 331.504 3.159 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000292169502 456875582 /nfs/dbraw/zinc/87/55/82/456875582.db2.gz OAQIEXWNVPZLBX-KSZLIROESA-N 2 1 345.531 3.407 20 0 EGADMP Cc1ccc([C@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000345016327 456897796 /nfs/dbraw/zinc/89/77/96/456897796.db2.gz JIAKYKYKNDUKRX-NSHGMRRFSA-N 2 1 343.515 3.121 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccccc3)C[C@H]2OC)CC1 ZINC000353819131 456921366 /nfs/dbraw/zinc/92/13/66/456921366.db2.gz PZVDPRIBQDJQCJ-CEWLAPEOSA-N 2 1 346.515 3.038 20 0 EGADMP CCCOc1cccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000349276890 456929141 /nfs/dbraw/zinc/92/91/41/456929141.db2.gz KOGCHKNNGDQENT-SFHVURJKSA-N 2 1 345.531 3.076 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CCCCC1 ZINC000353935310 456971853 /nfs/dbraw/zinc/97/18/53/456971853.db2.gz VXNCNRAIJYUNOV-QGZVFWFLSA-N 2 1 343.515 3.133 20 0 EGADMP COc1cccc(OC(F)(F)F)c1CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000353948365 456975912 /nfs/dbraw/zinc/97/59/12/456975912.db2.gz UGQNHUJGDPJGQZ-YPMHNXCESA-N 2 1 332.366 3.024 20 0 EGADMP CCC[N@@H+](CC)CCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000353953017 456977344 /nfs/dbraw/zinc/97/73/44/456977344.db2.gz XLCNNPGTDIKFCD-MJGOQNOKSA-N 2 1 348.535 3.017 20 0 EGADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCC3CCCC3)CC2)C[C@H](C)O1 ZINC000358871980 457015843 /nfs/dbraw/zinc/01/58/43/457015843.db2.gz LGBGAWOOJLKNIS-ROUUACIJSA-N 2 1 338.536 3.157 20 0 EGADMP COc1ccc(F)c(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)c1 ZINC000339261743 457026082 /nfs/dbraw/zinc/02/60/82/457026082.db2.gz CMQYSLSHIFTACL-UHFFFAOYSA-N 2 1 329.419 3.296 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnc(C(C)C)s2)C1 ZINC000354081033 457049339 /nfs/dbraw/zinc/04/93/39/457049339.db2.gz DKAXNMCBYIKBCE-OAHLLOKOSA-N 2 1 325.522 3.199 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000339308830 457051652 /nfs/dbraw/zinc/05/16/52/457051652.db2.gz MTIZPUPYGDLFTO-UHFFFAOYSA-N 2 1 345.462 3.492 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000362711399 457055012 /nfs/dbraw/zinc/05/50/12/457055012.db2.gz KQBCAXPWKRMSHG-LPHOPBHVSA-N 2 1 329.488 3.199 20 0 EGADMP Cc1nn2c(C[NH2+]C[C@H](C)Cn3cc[nH+]c3C)c(C(C)C)nc2s1 ZINC000346703494 457120310 /nfs/dbraw/zinc/12/03/10/457120310.db2.gz XCLDJJQKUOYMPH-LBPRGKRZSA-N 2 1 346.504 3.153 20 0 EGADMP O[C@]1(C[NH2+]Cc2ccc(F)c(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000339508732 457130316 /nfs/dbraw/zinc/13/03/16/457130316.db2.gz QLTNMNQMMWSEIH-IBGZPJMESA-N 2 1 348.849 3.206 20 0 EGADMP O[C@]1(C[NH2+]Cc2ccc(F)c(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000339508732 457130319 /nfs/dbraw/zinc/13/03/19/457130319.db2.gz QLTNMNQMMWSEIH-IBGZPJMESA-N 2 1 348.849 3.206 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@@H]1C ZINC000354219775 457137592 /nfs/dbraw/zinc/13/75/92/457137592.db2.gz DICVXNTWQPQUMK-ROUUACIJSA-N 2 1 331.504 3.355 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)C[NH+](C)C(C)C)cc1)C1CC1 ZINC000356748735 457147881 /nfs/dbraw/zinc/14/78/81/457147881.db2.gz WHIHMFFMTUQGKF-MRXNPFEDSA-N 2 1 331.504 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1)C1CC1 ZINC000356748735 457147885 /nfs/dbraw/zinc/14/78/85/457147885.db2.gz WHIHMFFMTUQGKF-MRXNPFEDSA-N 2 1 331.504 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1)C1CC1 ZINC000356748735 457147891 /nfs/dbraw/zinc/14/78/91/457147891.db2.gz WHIHMFFMTUQGKF-MRXNPFEDSA-N 2 1 331.504 3.129 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cccc(CC[NH+](C)C2CC2)c1 ZINC000342219800 457174736 /nfs/dbraw/zinc/17/47/36/457174736.db2.gz NWBUXDZUGWBMDD-IYBDPMFKSA-N 2 1 329.488 3.135 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000342219800 457174743 /nfs/dbraw/zinc/17/47/43/457174743.db2.gz NWBUXDZUGWBMDD-IYBDPMFKSA-N 2 1 329.488 3.135 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000342219800 457174751 /nfs/dbraw/zinc/17/47/51/457174751.db2.gz NWBUXDZUGWBMDD-IYBDPMFKSA-N 2 1 329.488 3.135 20 0 EGADMP CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1OC(F)F ZINC000346825147 457178514 /nfs/dbraw/zinc/17/85/14/457178514.db2.gz LHYMSEOSNGKKMW-NWANDNLSSA-N 2 1 340.414 3.246 20 0 EGADMP CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1OC(F)F ZINC000346825147 457178518 /nfs/dbraw/zinc/17/85/18/457178518.db2.gz LHYMSEOSNGKKMW-NWANDNLSSA-N 2 1 340.414 3.246 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OCCC(C)C ZINC000346842448 457183187 /nfs/dbraw/zinc/18/31/87/457183187.db2.gz HUZLUQIXBFRRHX-RCCFBDPRSA-N 2 1 332.488 3.289 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1OCC(F)(F)F ZINC000356861683 457183930 /nfs/dbraw/zinc/18/39/30/457183930.db2.gz HTKZLCKPJOBFLY-TZMCWYRMSA-N 2 1 346.393 3.066 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H](Cc2ccccn2)c2ccccc2)CC1 ZINC000359990831 457189273 /nfs/dbraw/zinc/18/92/73/457189273.db2.gz DRHAAMYHMRAXJV-OAQYLSRUSA-N 2 1 339.483 3.066 20 0 EGADMP COC[C@@H](CC(C)C)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000360056102 457230040 /nfs/dbraw/zinc/23/00/40/457230040.db2.gz QKRZPHMIAJODOC-NHCUHLMSSA-N 2 1 347.547 3.016 20 0 EGADMP CCn1c2cccc(F)c2nc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357077101 457310198 /nfs/dbraw/zinc/31/01/98/457310198.db2.gz JMUOPJXEGPNWCB-HNNXBMFYSA-N 2 1 330.451 3.017 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000360430555 457310814 /nfs/dbraw/zinc/31/08/14/457310814.db2.gz XVMSIJQWXHSDFT-RDTXWAMCSA-N 2 1 329.419 3.443 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000360430555 457310821 /nfs/dbraw/zinc/31/08/21/457310821.db2.gz XVMSIJQWXHSDFT-RDTXWAMCSA-N 2 1 329.419 3.443 20 0 EGADMP CCC1(CC)CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000347318070 457349882 /nfs/dbraw/zinc/34/98/82/457349882.db2.gz VBHUSUQDQNORSX-UHFFFAOYSA-N 2 1 345.535 3.021 20 0 EGADMP CCC1(CC)CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000347318070 457349888 /nfs/dbraw/zinc/34/98/88/457349888.db2.gz VBHUSUQDQNORSX-UHFFFAOYSA-N 2 1 345.535 3.021 20 0 EGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000352494860 457413605 /nfs/dbraw/zinc/41/36/05/457413605.db2.gz GIEANFYELNXTCD-HNNXBMFYSA-N 2 1 334.851 3.136 20 0 EGADMP C[N@@H+](Cc1cccc(F)c1N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382787268 457423667 /nfs/dbraw/zinc/42/36/67/457423667.db2.gz ZDGRIFZFBDIRHQ-QGZVFWFLSA-N 2 1 327.447 3.362 20 0 EGADMP C[N@H+](Cc1cccc(F)c1N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382787268 457423674 /nfs/dbraw/zinc/42/36/74/457423674.db2.gz ZDGRIFZFBDIRHQ-QGZVFWFLSA-N 2 1 327.447 3.362 20 0 EGADMP C[NH+](Cc1cccc(F)c1N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382787268 457423680 /nfs/dbraw/zinc/42/36/80/457423680.db2.gz ZDGRIFZFBDIRHQ-QGZVFWFLSA-N 2 1 327.447 3.362 20 0 EGADMP C[NH+](Cc1cccc(F)c1N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382787268 457423685 /nfs/dbraw/zinc/42/36/85/457423685.db2.gz ZDGRIFZFBDIRHQ-QGZVFWFLSA-N 2 1 327.447 3.362 20 0 EGADMP c1cc(COc2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2)ccn1 ZINC000352535046 457446069 /nfs/dbraw/zinc/44/60/69/457446069.db2.gz LSECHDDZPDQNIO-OAQYLSRUSA-N 2 1 337.467 3.236 20 0 EGADMP c1cc(COc2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2)ccn1 ZINC000352535046 457446077 /nfs/dbraw/zinc/44/60/77/457446077.db2.gz LSECHDDZPDQNIO-OAQYLSRUSA-N 2 1 337.467 3.236 20 0 EGADMP FC(F)(F)COc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352536001 457446713 /nfs/dbraw/zinc/44/67/13/457446713.db2.gz YHAUPNQQWAAZOV-INIZCTEOSA-N 2 1 328.378 3.203 20 0 EGADMP FC(F)(F)COc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352536001 457446721 /nfs/dbraw/zinc/44/67/21/457446721.db2.gz YHAUPNQQWAAZOV-INIZCTEOSA-N 2 1 328.378 3.203 20 0 EGADMP CSc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)s1 ZINC000356126930 457469515 /nfs/dbraw/zinc/46/95/15/457469515.db2.gz VKZDXIYSQXLHGF-VHDGCEQUSA-N 2 1 326.531 3.154 20 0 EGADMP CSc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)s1 ZINC000356126930 457469537 /nfs/dbraw/zinc/46/95/37/457469537.db2.gz VKZDXIYSQXLHGF-VHDGCEQUSA-N 2 1 326.531 3.154 20 0 EGADMP CC(C)(C)OC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000393906085 457469696 /nfs/dbraw/zinc/46/96/96/457469696.db2.gz NLDIVPXROVWZIS-BHUNQDJPSA-N 2 1 337.508 3.039 20 0 EGADMP CC(C)(C)OC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000393906085 457469701 /nfs/dbraw/zinc/46/97/01/457469701.db2.gz NLDIVPXROVWZIS-BHUNQDJPSA-N 2 1 337.508 3.039 20 0 EGADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000374075576 457470210 /nfs/dbraw/zinc/47/02/10/457470210.db2.gz VIDCCLBRYRDPRF-SFHVURJKSA-N 2 1 343.515 3.438 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000397889662 457492431 /nfs/dbraw/zinc/49/24/31/457492431.db2.gz PCHBZBRGDVXFPY-PKOBYXMFSA-N 2 1 347.503 3.013 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000342758517 457504363 /nfs/dbraw/zinc/50/43/63/457504363.db2.gz UICISIKMECLSTE-ZWOKBUDYSA-N 2 1 343.515 3.065 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])ccc1OC(F)F ZINC000404444555 457543026 /nfs/dbraw/zinc/54/30/26/457543026.db2.gz WUPXXUTVHYMPIY-TZMCWYRMSA-N 2 1 328.403 3.246 20 0 EGADMP CO[C@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000425417380 457543807 /nfs/dbraw/zinc/54/38/07/457543807.db2.gz HOWDNNWAWHRZAR-HXUWFJFHSA-N 2 1 328.500 3.400 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000357470394 457548668 /nfs/dbraw/zinc/54/86/68/457548668.db2.gz HNQJDMCXZXVZTI-HNNXBMFYSA-N 2 1 331.504 3.429 20 0 EGADMP Cc1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000374284673 457568725 /nfs/dbraw/zinc/56/87/25/457568725.db2.gz QSNHICUWENUGAF-UHFFFAOYSA-N 2 1 333.520 3.216 20 0 EGADMP C[C@@H](C[NH2+][C@H]1CCc2c1cc(Br)cc2F)C[NH+](C)C ZINC000425943112 457656813 /nfs/dbraw/zinc/65/68/13/457656813.db2.gz PSGKDHCMYSIXLB-BONVTDFDSA-N 2 1 329.257 3.363 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1)C(C)C ZINC000374622468 457674898 /nfs/dbraw/zinc/67/48/98/457674898.db2.gz LHIWWUSILHAWEK-UFYCRDLUSA-N 2 1 343.515 3.116 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@]3(C)CCCC[NH2+]3)cc2)C1 ZINC000357789084 457689812 /nfs/dbraw/zinc/68/98/12/457689812.db2.gz JPUYHWLZOYQFAT-UWJYYQICSA-N 2 1 343.515 3.067 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(SC)c2)[C@H](C)C1 ZINC000357838609 457707118 /nfs/dbraw/zinc/70/71/18/457707118.db2.gz FZLHARDRWAKXTO-NVXWUHKLSA-N 2 1 337.533 3.030 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(SC)c2)[C@H](C)C1 ZINC000357838609 457707122 /nfs/dbraw/zinc/70/71/22/457707122.db2.gz FZLHARDRWAKXTO-NVXWUHKLSA-N 2 1 337.533 3.030 20 0 EGADMP CCOC(=O)CCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433066412 457748396 /nfs/dbraw/zinc/74/83/96/457748396.db2.gz HEWKCTKIVCPXIS-UHFFFAOYSA-N 2 1 344.499 3.318 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000358096312 457783191 /nfs/dbraw/zinc/78/31/91/457783191.db2.gz LUSDCAJRMPXRPY-KGLIPLIRSA-N 2 1 344.459 3.145 20 0 EGADMP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000433231958 457784922 /nfs/dbraw/zinc/78/49/22/457784922.db2.gz ZKWFQXMCTCWNDF-FQEVSTJZSA-N 2 1 343.515 3.162 20 0 EGADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000433317744 457809210 /nfs/dbraw/zinc/80/92/10/457809210.db2.gz LYUOFNJVRHHXTN-HXUWFJFHSA-N 2 1 347.547 3.260 20 0 EGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(OCc4ccccn4)c3)C2)C1 ZINC000366537408 457844304 /nfs/dbraw/zinc/84/43/04/457844304.db2.gz XOJPNXDILGDHQB-NRFANRHFSA-N 2 1 337.467 3.188 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(OCc4ccccn4)c3)C2)C1 ZINC000366537408 457844311 /nfs/dbraw/zinc/84/43/11/457844311.db2.gz XOJPNXDILGDHQB-NRFANRHFSA-N 2 1 337.467 3.188 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)C1 ZINC000366537408 457844317 /nfs/dbraw/zinc/84/43/17/457844317.db2.gz XOJPNXDILGDHQB-NRFANRHFSA-N 2 1 337.467 3.188 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)C1 ZINC000366537408 457844324 /nfs/dbraw/zinc/84/43/24/457844324.db2.gz XOJPNXDILGDHQB-NRFANRHFSA-N 2 1 337.467 3.188 20 0 EGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358254710 457891704 /nfs/dbraw/zinc/89/17/04/457891704.db2.gz PNHHKYBFZSMQBZ-IFXJQAMLSA-N 2 1 345.512 3.144 20 0 EGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358254710 457891710 /nfs/dbraw/zinc/89/17/10/457891710.db2.gz PNHHKYBFZSMQBZ-IFXJQAMLSA-N 2 1 345.512 3.144 20 0 EGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358254710 457891716 /nfs/dbraw/zinc/89/17/16/457891716.db2.gz PNHHKYBFZSMQBZ-IFXJQAMLSA-N 2 1 345.512 3.144 20 0 EGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358254710 457891720 /nfs/dbraw/zinc/89/17/20/457891720.db2.gz PNHHKYBFZSMQBZ-IFXJQAMLSA-N 2 1 345.512 3.144 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1C ZINC000411620662 457930321 /nfs/dbraw/zinc/93/03/21/457930321.db2.gz QGGRHRKEXJCFEY-LPHOPBHVSA-N 2 1 330.472 3.056 20 0 EGADMP COC[C@]1(C)CC[N@@H+](CC[C@@H](C)CC[NH+]2CC[C@](C)(COC)C2)C1 ZINC000411773448 457976269 /nfs/dbraw/zinc/97/62/69/457976269.db2.gz LWNJMBFJYFCNNO-OWZKRDHZSA-N 2 1 340.552 3.120 20 0 EGADMP COC[C@]1(C)CC[NH+](CC[C@@H](C)CC[N@@H+]2CC[C@](C)(COC)C2)C1 ZINC000411773448 457976270 /nfs/dbraw/zinc/97/62/70/457976270.db2.gz LWNJMBFJYFCNNO-OWZKRDHZSA-N 2 1 340.552 3.120 20 0 EGADMP COC[C@]1(C)CC[NH+](CC[C@@H](C)CC[N@H+]2CC[C@](C)(COC)C2)C1 ZINC000411773448 457976272 /nfs/dbraw/zinc/97/62/72/457976272.db2.gz LWNJMBFJYFCNNO-OWZKRDHZSA-N 2 1 340.552 3.120 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358504151 458042951 /nfs/dbraw/zinc/04/29/51/458042951.db2.gz HHGOKGGVZASROA-CQSZACIVSA-N 2 1 335.879 3.051 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000358600189 458101539 /nfs/dbraw/zinc/10/15/39/458101539.db2.gz NUTXDYVHKCLENI-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCCc3ccc(Cl)cc3)C2)CC1 ZINC000375903588 458116852 /nfs/dbraw/zinc/11/68/52/458116852.db2.gz IFZSZEGPCIPLRH-HXUWFJFHSA-N 2 1 349.950 3.373 20 0 EGADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000435369241 458120471 /nfs/dbraw/zinc/12/04/71/458120471.db2.gz DTUHBMJCPSGLAK-HOCLYGCPSA-N 2 1 345.874 3.483 20 0 EGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000435369241 458120479 /nfs/dbraw/zinc/12/04/79/458120479.db2.gz DTUHBMJCPSGLAK-HOCLYGCPSA-N 2 1 345.874 3.483 20 0 EGADMP CC[N@H+](Cc1c(C(C)C)nc2sc(C)nn12)[C@H]1CCC[NH2+]CC1 ZINC000435370554 458122907 /nfs/dbraw/zinc/12/29/07/458122907.db2.gz JITCQTCNXSJVGS-AWEZNQCLSA-N 2 1 335.521 3.187 20 0 EGADMP CC[N@@H+](Cc1c(C(C)C)nc2sc(C)nn12)[C@H]1CCC[NH2+]CC1 ZINC000435370554 458122914 /nfs/dbraw/zinc/12/29/14/458122914.db2.gz JITCQTCNXSJVGS-AWEZNQCLSA-N 2 1 335.521 3.187 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435376967 458125971 /nfs/dbraw/zinc/12/59/71/458125971.db2.gz WUKJXEIHWJNLOQ-IEBWSBKVSA-N 2 1 339.483 3.447 20 0 EGADMP CCn1cc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000435434284 458147023 /nfs/dbraw/zinc/14/70/23/458147023.db2.gz XEGHNUWVZWNIPX-QGZVFWFLSA-N 2 1 330.501 3.109 20 0 EGADMP CCn1cc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000435434284 458147027 /nfs/dbraw/zinc/14/70/27/458147027.db2.gz XEGHNUWVZWNIPX-QGZVFWFLSA-N 2 1 330.501 3.109 20 0 EGADMP COc1ccc(CC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435627704 458176212 /nfs/dbraw/zinc/17/62/12/458176212.db2.gz OFERTPUPAXRRFW-FQEVSTJZSA-N 2 1 339.483 3.277 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cn3cccnc3n2)CC1)CC(C)C ZINC000358752668 458192736 /nfs/dbraw/zinc/19/27/36/458192736.db2.gz QGHDBSKXTSZORL-UHFFFAOYSA-N 2 1 343.519 3.309 20 0 EGADMP CC(C)(C)C(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000435741027 458194521 /nfs/dbraw/zinc/19/45/21/458194521.db2.gz NFOKWWMEZUECBT-LJQANCHMSA-N 2 1 349.563 3.410 20 0 EGADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428860646 458224012 /nfs/dbraw/zinc/22/40/12/458224012.db2.gz HDPBMVVZNLVABC-UONOGXRCSA-N 2 1 348.434 3.234 20 0 EGADMP CCOc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000362502612 458224800 /nfs/dbraw/zinc/22/48/00/458224800.db2.gz MNPGKIXNAOXJPP-SJLPKXTDSA-N 2 1 347.503 3.219 20 0 EGADMP CCOc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000362502612 458224810 /nfs/dbraw/zinc/22/48/10/458224810.db2.gz MNPGKIXNAOXJPP-SJLPKXTDSA-N 2 1 347.503 3.219 20 0 EGADMP CCOc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000362502612 458224816 /nfs/dbraw/zinc/22/48/16/458224816.db2.gz MNPGKIXNAOXJPP-SJLPKXTDSA-N 2 1 347.503 3.219 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000446788286 458228938 /nfs/dbraw/zinc/22/89/38/458228938.db2.gz XAMOKYAOPUPDOW-OAHLLOKOSA-N 2 1 339.549 3.373 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000446788286 458228946 /nfs/dbraw/zinc/22/89/46/458228946.db2.gz XAMOKYAOPUPDOW-OAHLLOKOSA-N 2 1 339.549 3.373 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc2ccccc2s1 ZINC000446816271 458230792 /nfs/dbraw/zinc/23/07/92/458230792.db2.gz BCJJCOGKYKTLLR-GDBMZVCRSA-N 2 1 345.512 3.139 20 0 EGADMP COc1cccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000436295920 458283769 /nfs/dbraw/zinc/28/37/69/458283769.db2.gz IFEBBIHUTIVHGF-VQIMIIECSA-N 2 1 331.504 3.408 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000459383084 458353167 /nfs/dbraw/zinc/35/31/67/458353167.db2.gz FBVDYHRULUBBQR-GJZGRUSLSA-N 2 1 330.501 3.298 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000459383084 458353171 /nfs/dbraw/zinc/35/31/71/458353171.db2.gz FBVDYHRULUBBQR-GJZGRUSLSA-N 2 1 330.501 3.298 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000459383084 458353181 /nfs/dbraw/zinc/35/31/81/458353181.db2.gz FBVDYHRULUBBQR-GJZGRUSLSA-N 2 1 330.501 3.298 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000459401812 458359965 /nfs/dbraw/zinc/35/99/65/458359965.db2.gz IWMQSXUUCCEDIL-MNZLEMJZSA-N 2 1 346.906 3.283 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[C@H]1SC ZINC000459424093 458365765 /nfs/dbraw/zinc/36/57/65/458365765.db2.gz KUBGMYNKGXIMCN-ABHMUUKNSA-N 2 1 348.556 3.396 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@H]1SC ZINC000459424093 458365769 /nfs/dbraw/zinc/36/57/69/458365769.db2.gz KUBGMYNKGXIMCN-ABHMUUKNSA-N 2 1 348.556 3.396 20 0 EGADMP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459462319 458378355 /nfs/dbraw/zinc/37/83/55/458378355.db2.gz KVMQKWDDHXEEDI-MSOLQXFVSA-N 3 1 342.531 3.293 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cnccn1 ZINC000376835329 458402528 /nfs/dbraw/zinc/40/25/28/458402528.db2.gz CGOYXJBJYBVHNP-OJAHFUOMSA-N 2 1 336.483 3.428 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cnccn1 ZINC000376835329 458402533 /nfs/dbraw/zinc/40/25/33/458402533.db2.gz CGOYXJBJYBVHNP-OJAHFUOMSA-N 2 1 336.483 3.428 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423444948 458434920 /nfs/dbraw/zinc/43/49/20/458434920.db2.gz RQIGPVYDBSXDJE-GDIGMMSISA-N 2 1 339.483 3.419 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459652532 458436968 /nfs/dbraw/zinc/43/69/68/458436968.db2.gz CHKPORQJGNKMBK-OAHLLOKOSA-N 2 1 345.409 3.263 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459652532 458436972 /nfs/dbraw/zinc/43/69/72/458436972.db2.gz CHKPORQJGNKMBK-OAHLLOKOSA-N 2 1 345.409 3.263 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459661589 458439493 /nfs/dbraw/zinc/43/94/93/458439493.db2.gz MOSNMQJWHFXITI-LSDHHAIUSA-N 2 1 334.426 3.152 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459661589 458439498 /nfs/dbraw/zinc/43/94/98/458439498.db2.gz MOSNMQJWHFXITI-LSDHHAIUSA-N 2 1 334.426 3.152 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459661589 458439502 /nfs/dbraw/zinc/43/95/02/458439502.db2.gz MOSNMQJWHFXITI-LSDHHAIUSA-N 2 1 334.426 3.152 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C[NH3+])C2CCCC2)c2ccccc21 ZINC000423497596 458443382 /nfs/dbraw/zinc/44/33/82/458443382.db2.gz HAEHFPDBFVXVPD-QRVBRYPASA-N 2 1 330.472 3.275 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000459725060 458458166 /nfs/dbraw/zinc/45/81/66/458458166.db2.gz FNVHQJIRIIZNQJ-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459726043 458458571 /nfs/dbraw/zinc/45/85/71/458458571.db2.gz BFFYXRPNHPSEMF-AEFFLSMTSA-N 2 1 334.504 3.346 20 0 EGADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1C[NH3+] ZINC000430570579 458464075 /nfs/dbraw/zinc/46/40/75/458464075.db2.gz ZBOCQJFYYRLYQF-IUODEOHRSA-N 2 1 343.393 3.093 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1C[NH3+] ZINC000430570579 458464077 /nfs/dbraw/zinc/46/40/77/458464077.db2.gz ZBOCQJFYYRLYQF-IUODEOHRSA-N 2 1 343.393 3.093 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000430592759 458468380 /nfs/dbraw/zinc/46/83/80/458468380.db2.gz CVQZFPXNRQDWPN-JFRXWTBNSA-N 2 1 331.504 3.092 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000430592759 458468385 /nfs/dbraw/zinc/46/83/85/458468385.db2.gz CVQZFPXNRQDWPN-JFRXWTBNSA-N 2 1 331.504 3.092 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)C1CCCCC1 ZINC000373434076 458492149 /nfs/dbraw/zinc/49/21/49/458492149.db2.gz BOHVJQXMXODUCO-RXVVDRJESA-N 2 1 341.499 3.389 20 0 EGADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000423826189 458492182 /nfs/dbraw/zinc/49/21/82/458492182.db2.gz MJNMMQFDNDWGFG-IMBTUZDBSA-N 2 1 349.906 3.109 20 0 EGADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000423826189 458492184 /nfs/dbraw/zinc/49/21/84/458492184.db2.gz MJNMMQFDNDWGFG-IMBTUZDBSA-N 2 1 349.906 3.109 20 0 EGADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000423826187 458492264 /nfs/dbraw/zinc/49/22/64/458492264.db2.gz MJNMMQFDNDWGFG-DWRORGKVSA-N 2 1 349.906 3.109 20 0 EGADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000423826187 458492265 /nfs/dbraw/zinc/49/22/65/458492265.db2.gz MJNMMQFDNDWGFG-DWRORGKVSA-N 2 1 349.906 3.109 20 0 EGADMP CCCCNC(=O)[C@@H](C)N1CCC(n2c(C)nc3ccccc32)CC1 ZINC000373597223 458546380 /nfs/dbraw/zinc/54/63/80/458546380.db2.gz UGWUMXKQNIAQRU-OAHLLOKOSA-N 2 1 342.487 3.286 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000461211280 458551542 /nfs/dbraw/zinc/55/15/42/458551542.db2.gz GTWOSPBAKOEZMM-ZIFCJYIRSA-N 2 1 348.535 3.097 20 0 EGADMP Cc1cc(F)c(CNC2CC[NH+](Cc3ccncc3)CC2)c(F)c1 ZINC000424141757 458569155 /nfs/dbraw/zinc/56/91/55/458569155.db2.gz XHSHFZOMSZVSKQ-UHFFFAOYSA-N 2 1 331.410 3.422 20 0 EGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438561337 458598094 /nfs/dbraw/zinc/59/80/94/458598094.db2.gz KQIVQMQQFWLJCA-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1cc(Cl)c3c(c1)OCCO3)CC[NH2+]CC2 ZINC000424284640 458603772 /nfs/dbraw/zinc/60/37/72/458603772.db2.gz DKPNHQGKMOKOFR-ZDUSSCGKSA-N 2 1 336.863 3.075 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1cc(-c3ccc(F)cc3)no1)CC[NH2+]CC2 ZINC000424285115 458603860 /nfs/dbraw/zinc/60/38/60/458603860.db2.gz FDPRUNHBTNUBRE-AWEZNQCLSA-N 2 1 329.419 3.445 20 0 EGADMP CCC[C@H](NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424289005 458605523 /nfs/dbraw/zinc/60/55/23/458605523.db2.gz LEXVTOIGTLSFEH-MJGOQNOKSA-N 2 1 343.515 3.108 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000431721504 458612904 /nfs/dbraw/zinc/61/29/04/458612904.db2.gz DPAIETZPDYMAAB-NSHGMRRFSA-N 2 1 345.531 3.164 20 0 EGADMP CSc1cc2c(cc1C[N@H+]1CC3(C[C@H]1C)CC[NH2+]CC3)OCCO2 ZINC000424370476 458628160 /nfs/dbraw/zinc/62/81/60/458628160.db2.gz COELAIGEQBQEIW-CQSZACIVSA-N 2 1 348.512 3.144 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424387613 458631644 /nfs/dbraw/zinc/63/16/44/458631644.db2.gz YRGTVQVUIKFNDF-HNNXBMFYSA-N 2 1 340.471 3.049 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1c(F)cccc1N1CCCC1)CC[NH2+]CC2 ZINC000424388948 458632184 /nfs/dbraw/zinc/63/21/84/458632184.db2.gz ZQNAZSSTKSWTTJ-MRXNPFEDSA-N 2 1 331.479 3.390 20 0 EGADMP Cc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC000546574250 458640267 /nfs/dbraw/zinc/64/02/67/458640267.db2.gz MKPYDPCWOQVFRE-YADHBBJMSA-N 2 1 338.495 3.243 20 0 EGADMP Cc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC000546574250 458640274 /nfs/dbraw/zinc/64/02/74/458640274.db2.gz MKPYDPCWOQVFRE-YADHBBJMSA-N 2 1 338.495 3.243 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cc(C)cc(C[NH3+])c2)C1 ZINC000424435709 458642578 /nfs/dbraw/zinc/64/25/78/458642578.db2.gz LTBVLLOBJZWTSN-MRXNPFEDSA-N 2 1 346.519 3.476 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000530028297 458663750 /nfs/dbraw/zinc/66/37/50/458663750.db2.gz NVJJIAODKNRZJZ-FQEVSTJZSA-N 2 1 341.499 3.029 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000546722721 458666845 /nfs/dbraw/zinc/66/68/45/458666845.db2.gz QWEMGWCQWJYQHJ-IBGZPJMESA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000546722721 458666852 /nfs/dbraw/zinc/66/68/52/458666852.db2.gz QWEMGWCQWJYQHJ-IBGZPJMESA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000546722721 458666859 /nfs/dbraw/zinc/66/68/59/458666859.db2.gz QWEMGWCQWJYQHJ-IBGZPJMESA-N 2 1 343.515 3.032 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCCC4CCOCC4)C[C@H]3C2)cc1 ZINC000471025531 458673517 /nfs/dbraw/zinc/67/35/17/458673517.db2.gz MUVMLMJFHNZSAW-OYRHEFFESA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CCCC4CCOCC4)C[C@H]3C2)cc1 ZINC000471025531 458673524 /nfs/dbraw/zinc/67/35/24/458673524.db2.gz MUVMLMJFHNZSAW-OYRHEFFESA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CCCC4CCOCC4)C[C@H]3C2)cc1 ZINC000471025531 458673534 /nfs/dbraw/zinc/67/35/34/458673534.db2.gz MUVMLMJFHNZSAW-OYRHEFFESA-N 2 1 328.500 3.257 20 0 EGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC3(O)CCC(C)CC3)C1)CCCC2 ZINC000432118479 458683900 /nfs/dbraw/zinc/68/39/00/458683900.db2.gz WQCMPFZSAIEGFZ-RYZJOYRSSA-N 2 1 331.504 3.258 20 0 EGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC3(O)CCC(C)CC3)C1)CCCC2 ZINC000432118479 458683905 /nfs/dbraw/zinc/68/39/05/458683905.db2.gz WQCMPFZSAIEGFZ-RYZJOYRSSA-N 2 1 331.504 3.258 20 0 EGADMP Clc1ccc(CN2CCC([NH2+][C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000530177549 458709911 /nfs/dbraw/zinc/70/99/11/458709911.db2.gz KIABYRPOQYPJQX-GOSISDBHSA-N 2 1 333.907 3.179 20 0 EGADMP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2(C)C)n1 ZINC000530232129 458725665 /nfs/dbraw/zinc/72/56/65/458725665.db2.gz NPLQVXOBMBBFHO-AWEZNQCLSA-N 2 1 332.423 3.171 20 0 EGADMP FC(F)O[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000503939221 458730298 /nfs/dbraw/zinc/73/02/98/458730298.db2.gz ZBIHTQHZMOSYGK-QZTJIDSGSA-N 2 1 338.442 3.443 20 0 EGADMP CC(C)[C@H](COCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432417294 458736210 /nfs/dbraw/zinc/73/62/10/458736210.db2.gz LLGNGEFSDIPDSO-CTNGQTDRSA-N 2 1 348.531 3.318 20 0 EGADMP CC(C)[C@H](COCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432417294 458736216 /nfs/dbraw/zinc/73/62/16/458736216.db2.gz LLGNGEFSDIPDSO-CTNGQTDRSA-N 2 1 348.531 3.318 20 0 EGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCOCC(F)(F)F ZINC000471842003 458740656 /nfs/dbraw/zinc/74/06/56/458740656.db2.gz BYHDFAFRUNPZJF-IRXDYDNUSA-N 2 1 344.421 3.237 20 0 EGADMP C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000547736523 458782471 /nfs/dbraw/zinc/78/24/71/458782471.db2.gz PINPNHZKMRDDGU-UWJYYQICSA-N 2 1 345.531 3.449 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000518176288 458846698 /nfs/dbraw/zinc/84/66/98/458846698.db2.gz RLNOAHLPZKLDQV-RTBURBONSA-N 2 1 331.504 3.237 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)cc1)C1CC1 ZINC000440913891 458864459 /nfs/dbraw/zinc/86/44/59/458864459.db2.gz MHKAEVJZMBQAGX-MAUKXSAKSA-N 2 1 341.499 3.026 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1)C1CC1 ZINC000440913891 458864464 /nfs/dbraw/zinc/86/44/64/458864464.db2.gz MHKAEVJZMBQAGX-MAUKXSAKSA-N 2 1 341.499 3.026 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1)C1CC1 ZINC000440913891 458864467 /nfs/dbraw/zinc/86/44/67/458864467.db2.gz MHKAEVJZMBQAGX-MAUKXSAKSA-N 2 1 341.499 3.026 20 0 EGADMP Cc1ccccc1-n1nccc1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000474482636 458888558 /nfs/dbraw/zinc/88/85/58/458888558.db2.gz NCNQVYMKJAPZSE-UHFFFAOYSA-N 2 1 326.488 3.392 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H]1C ZINC000474479923 458888816 /nfs/dbraw/zinc/88/88/16/458888816.db2.gz TUNIFJWKCAIJPT-PJVZLEMVSA-N 2 1 338.536 3.312 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCc1cccc(N2CCC2=O)c1 ZINC000441198130 458898431 /nfs/dbraw/zinc/89/84/31/458898431.db2.gz AYJLSYBFXUULOA-UTKZUKDTSA-N 2 1 349.478 3.033 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCc1cccc(N2CCC2=O)c1 ZINC000441198130 458898434 /nfs/dbraw/zinc/89/84/34/458898434.db2.gz AYJLSYBFXUULOA-UTKZUKDTSA-N 2 1 349.478 3.033 20 0 EGADMP C[C@@H](O)C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441237067 458904266 /nfs/dbraw/zinc/90/42/66/458904266.db2.gz VXXQKUDTPZUQEL-GPMSIDNRSA-N 2 1 338.923 3.438 20 0 EGADMP C[C@@H](O)C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441237067 458904270 /nfs/dbraw/zinc/90/42/70/458904270.db2.gz VXXQKUDTPZUQEL-GPMSIDNRSA-N 2 1 338.923 3.438 20 0 EGADMP Cc1cc(C)cc(OCCC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000441268414 458908791 /nfs/dbraw/zinc/90/87/91/458908791.db2.gz XQIVOHIIYMIUJV-CEWLAPEOSA-N 2 1 346.515 3.256 20 0 EGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000556209248 458936860 /nfs/dbraw/zinc/93/68/60/458936860.db2.gz YDJCICHNXZSPNI-NSHGMRRFSA-N 2 1 345.531 3.039 20 0 EGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000556209248 458936867 /nfs/dbraw/zinc/93/68/67/458936867.db2.gz YDJCICHNXZSPNI-NSHGMRRFSA-N 2 1 345.531 3.039 20 0 EGADMP Cc1nc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[nH]c1C ZINC000566496591 458947737 /nfs/dbraw/zinc/94/77/37/458947737.db2.gz JPXHJYFOVRMZJH-KXBFYZLASA-N 2 1 326.488 3.417 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cc(C)ccc2OC)[C@H](C)C1 ZINC000531689501 458961489 /nfs/dbraw/zinc/96/14/89/458961489.db2.gz KTCVOYCWVKGVFL-UYAOXDASSA-N 2 1 348.531 3.273 20 0 EGADMP CC(C)[C@@H](C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)[C@@H](C)[NH3+] ZINC000566676975 458982265 /nfs/dbraw/zinc/98/22/65/458982265.db2.gz GZIRJPZWELCUGL-UKRRQHHQSA-N 2 1 338.521 3.077 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCc3ccccc3)CC2)CC1 ZINC000468133569 459005342 /nfs/dbraw/zinc/00/53/42/459005342.db2.gz RKKRFOVLZXURTQ-UHFFFAOYSA-N 2 1 329.532 3.111 20 0 EGADMP CC[C@H](C[C@@H](C)CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000531984157 459012098 /nfs/dbraw/zinc/01/20/98/459012098.db2.gz BBUGUZBSBKLHQC-VQIMIIECSA-N 2 1 336.495 3.219 20 0 EGADMP CN(C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000566864130 459014166 /nfs/dbraw/zinc/01/41/66/459014166.db2.gz UCDPOSQJLTVWIS-WFFDWFOESA-N 2 1 349.906 3.026 20 0 EGADMP CN(C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000566864130 459014168 /nfs/dbraw/zinc/01/41/68/459014168.db2.gz UCDPOSQJLTVWIS-WFFDWFOESA-N 2 1 349.906 3.026 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000556909706 459030987 /nfs/dbraw/zinc/03/09/87/459030987.db2.gz IVCIEFJMHMLZAI-XNJGSVPQSA-N 2 1 326.431 3.441 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc3[nH]ccc3c2)[C@H](C)C1 ZINC000442806186 459040430 /nfs/dbraw/zinc/04/04/30/459040430.db2.gz BIWNKCBPVBUJKF-YLJYHZDGSA-N 2 1 343.515 3.437 20 0 EGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000532211929 459047782 /nfs/dbraw/zinc/04/77/82/459047782.db2.gz DHHJAPIOUVBSHV-HLIUYOAVSA-N 2 1 336.442 3.323 20 0 EGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000532211929 459047786 /nfs/dbraw/zinc/04/77/86/459047786.db2.gz DHHJAPIOUVBSHV-HLIUYOAVSA-N 2 1 336.442 3.323 20 0 EGADMP CC(C)[C@@H](CSc1ccccc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442874131 459047973 /nfs/dbraw/zinc/04/79/73/459047973.db2.gz LVMYEPYEMUERGK-LJQANCHMSA-N 2 1 349.588 3.419 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000532280102 459059493 /nfs/dbraw/zinc/05/94/93/459059493.db2.gz YEQUDDSFMRSXCM-RLLQIKCJSA-N 2 1 342.483 3.073 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000532280102 459059501 /nfs/dbraw/zinc/05/95/01/459059501.db2.gz YEQUDDSFMRSXCM-RLLQIKCJSA-N 2 1 342.483 3.073 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)ccc1OCC(F)(F)F ZINC000442916972 459059862 /nfs/dbraw/zinc/05/98/62/459059862.db2.gz BGFLCIUREAXTKQ-ZDUSSCGKSA-N 2 1 346.393 3.197 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCc3cc(OC)ccc3C2)cc1 ZINC000557334585 459063216 /nfs/dbraw/zinc/06/32/16/459063216.db2.gz GKMQOPYIOLUVCA-IBGZPJMESA-N 2 1 340.467 3.195 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C(C)(C)C[NH+]2CCCC2)C1 ZINC000496121841 459075204 /nfs/dbraw/zinc/07/52/04/459075204.db2.gz QUIYFTJMNJCPSY-IBGZPJMESA-N 2 1 339.524 3.098 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443056811 459078912 /nfs/dbraw/zinc/07/89/12/459078912.db2.gz DEKWPYLKXKQUIY-CVEARBPZSA-N 2 1 325.456 3.228 20 0 EGADMP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@@H](CC[NH3+])C3)n2)cc1F ZINC000443062732 459080740 /nfs/dbraw/zinc/08/07/40/459080740.db2.gz VHUVCWPDFZOSGF-HNNXBMFYSA-N 2 1 346.450 3.178 20 0 EGADMP CCOc1cc2c(cc1CN[C@@H]1CC[N@@H+](CC)C[C@H]1C)O[C@@H](C)C2 ZINC000532454886 459092066 /nfs/dbraw/zinc/09/20/66/459092066.db2.gz SSWCVMJMJXIBKR-RVKKMQEKSA-N 2 1 332.488 3.229 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CCCCC[NH2+]2)cc1 ZINC000567390512 459098908 /nfs/dbraw/zinc/09/89/08/459098908.db2.gz CADVFIHDJWPLBI-YLJYHZDGSA-N 2 1 343.515 3.209 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496237878 459118566 /nfs/dbraw/zinc/11/85/66/459118566.db2.gz QOFHBYLLFROECW-IAGOWNOFSA-N 2 1 333.476 3.147 20 0 EGADMP C[C@@H](Nc1cc[nH+]cc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000521130907 459120848 /nfs/dbraw/zinc/12/08/48/459120848.db2.gz WGQBRXCRMCZNSY-WBMJQRKESA-N 2 1 334.261 3.369 20 0 EGADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567605788 459132980 /nfs/dbraw/zinc/13/29/80/459132980.db2.gz FLNMDWMKOUGVPN-UZKOGDIHSA-N 2 1 338.495 3.263 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000521305599 459139403 /nfs/dbraw/zinc/13/94/03/459139403.db2.gz WRAOZLXLERCSKW-FQEVSTJZSA-N 2 1 337.511 3.497 20 0 EGADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000479475835 459143775 /nfs/dbraw/zinc/14/37/75/459143775.db2.gz WSPXTVRSXOXBOS-HXUWFJFHSA-N 2 1 347.547 3.164 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ncccc2C)[C@H](C)C1 ZINC000578102390 459145516 /nfs/dbraw/zinc/14/55/16/459145516.db2.gz HRJYKBRDYODPBB-RTBURBONSA-N 2 1 347.547 3.394 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(SC)cc32)CC1 ZINC000578193471 459159622 /nfs/dbraw/zinc/15/96/22/459159622.db2.gz ZAQWSLCEXQMNJX-LJQANCHMSA-N 2 1 334.529 3.486 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000558501305 459168316 /nfs/dbraw/zinc/16/83/16/459168316.db2.gz KZFYDCKXVGKSEQ-NLWGTHIKSA-N 2 1 332.536 3.002 20 0 EGADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000558501305 459168321 /nfs/dbraw/zinc/16/83/21/459168321.db2.gz KZFYDCKXVGKSEQ-NLWGTHIKSA-N 2 1 332.536 3.002 20 0 EGADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000558501305 459168326 /nfs/dbraw/zinc/16/83/26/459168326.db2.gz KZFYDCKXVGKSEQ-NLWGTHIKSA-N 2 1 332.536 3.002 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000521823842 459180826 /nfs/dbraw/zinc/18/08/26/459180826.db2.gz PUQRYARQTLPDEF-IBGZPJMESA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000480710503 459214923 /nfs/dbraw/zinc/21/49/23/459214923.db2.gz DPJPHTUWKIBMDW-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480710503 459214932 /nfs/dbraw/zinc/21/49/32/459214932.db2.gz DPJPHTUWKIBMDW-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480710503 459214941 /nfs/dbraw/zinc/21/49/41/459214941.db2.gz DPJPHTUWKIBMDW-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000480710504 459215106 /nfs/dbraw/zinc/21/51/06/459215106.db2.gz DPJPHTUWKIBMDW-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480710504 459215113 /nfs/dbraw/zinc/21/51/13/459215113.db2.gz DPJPHTUWKIBMDW-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480710504 459215121 /nfs/dbraw/zinc/21/51/21/459215121.db2.gz DPJPHTUWKIBMDW-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000496517546 459224770 /nfs/dbraw/zinc/22/47/70/459224770.db2.gz ZHWQBKHBVWLLTB-WBVHZDCISA-N 2 1 331.460 3.120 20 0 EGADMP C[C@H](c1cccc(N2CCOC2=O)c1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000496517546 459224775 /nfs/dbraw/zinc/22/47/75/459224775.db2.gz ZHWQBKHBVWLLTB-WBVHZDCISA-N 2 1 331.460 3.120 20 0 EGADMP C[C@H](c1cccc(N2CCOC2=O)c1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000496517546 459224781 /nfs/dbraw/zinc/22/47/81/459224781.db2.gz ZHWQBKHBVWLLTB-WBVHZDCISA-N 2 1 331.460 3.120 20 0 EGADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)N1CCCc2ccccc21 ZINC000568131099 459231740 /nfs/dbraw/zinc/23/17/40/459231740.db2.gz NNEIWUXKWVSHFJ-APWZRJJASA-N 2 1 345.531 3.310 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000590818984 459232343 /nfs/dbraw/zinc/23/23/43/459232343.db2.gz OVLYUZNSDFDYHK-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC[N@H+]1C ZINC000496568366 459242320 /nfs/dbraw/zinc/24/23/20/459242320.db2.gz GVEUGIUMYPJJNJ-YYIAUSFCSA-N 2 1 339.524 3.094 20 0 EGADMP CC(C)C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CC(=O)OC(C)(C)C ZINC000595094696 459243227 /nfs/dbraw/zinc/24/32/27/459243227.db2.gz HHWJTQNKWJYDSU-ULQDDVLXSA-N 2 1 326.525 3.453 20 0 EGADMP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000522546417 459248107 /nfs/dbraw/zinc/24/81/07/459248107.db2.gz LONFGCKBZHLXCN-HKUYNNGSSA-N 2 1 347.547 3.298 20 0 EGADMP COC(=O)c1cccc(C[NH+](C)CC2CC2)c1C[N@H+](C)CC1CC1 ZINC000595299347 459271165 /nfs/dbraw/zinc/27/11/65/459271165.db2.gz YDHLMTJKRLRSDW-UHFFFAOYSA-N 2 1 330.472 3.157 20 0 EGADMP COC(=O)c1cccc(C[NH+](C)CC2CC2)c1C[N@@H+](C)CC1CC1 ZINC000595299347 459271170 /nfs/dbraw/zinc/27/11/70/459271170.db2.gz YDHLMTJKRLRSDW-UHFFFAOYSA-N 2 1 330.472 3.157 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000482164223 459293957 /nfs/dbraw/zinc/29/39/57/459293957.db2.gz NXDHNMVFAQZRDI-OTWHNJEPSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000482166310 459294682 /nfs/dbraw/zinc/29/46/82/459294682.db2.gz TUWBPPNXYAKNER-QAPCUYQASA-N 2 1 335.467 3.254 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000524156052 459348184 /nfs/dbraw/zinc/34/81/84/459348184.db2.gz DRNDOJJFZVSZFJ-UHFFFAOYSA-N 2 1 326.488 3.425 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCOC[C@H]2CCCO2)CC1 ZINC000582413889 459360543 /nfs/dbraw/zinc/36/05/43/459360543.db2.gz XOMXEXBDVVFHDD-XVAXZDLZSA-N 2 1 346.515 3.215 20 0 EGADMP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000582534114 459382013 /nfs/dbraw/zinc/38/20/13/459382013.db2.gz NHVVDKRPFKEBHJ-MRXNPFEDSA-N 2 1 327.428 3.114 20 0 EGADMP C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCCc1cncn1C ZINC000496972540 459391082 /nfs/dbraw/zinc/39/10/82/459391082.db2.gz DNWZYZJFQPXSPO-OAHLLOKOSA-N 2 1 342.443 3.002 20 0 EGADMP C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000496972540 459391085 /nfs/dbraw/zinc/39/10/85/459391085.db2.gz DNWZYZJFQPXSPO-OAHLLOKOSA-N 2 1 342.443 3.002 20 0 EGADMP C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000496972540 459391090 /nfs/dbraw/zinc/39/10/90/459391090.db2.gz DNWZYZJFQPXSPO-OAHLLOKOSA-N 2 1 342.443 3.002 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3CCCCCC3)CC2)CC1 ZINC000561041283 459413661 /nfs/dbraw/zinc/41/36/61/459413661.db2.gz ACTNAKTTXBJINT-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497095287 459436804 /nfs/dbraw/zinc/43/68/04/459436804.db2.gz BERPSBPHBTWKFZ-IAGOWNOFSA-N 2 1 339.524 3.238 20 0 EGADMP CC(C)(C)OC(=O)N1CC=C(CC[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000497096669 459437659 /nfs/dbraw/zinc/43/76/59/459437659.db2.gz GHAVKCNNMXHRKU-UHFFFAOYSA-N 2 1 349.519 3.160 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000582905480 459449849 /nfs/dbraw/zinc/44/98/49/459449849.db2.gz QQKCJZVOPPAEBF-KRWDZBQOSA-N 2 1 329.488 3.070 20 0 EGADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000561976689 459498341 /nfs/dbraw/zinc/49/83/41/459498341.db2.gz QBDZOVWPTOFETK-MSOLQXFVSA-N 2 1 334.504 3.345 20 0 EGADMP OC1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000569827389 459518269 /nfs/dbraw/zinc/51/82/69/459518269.db2.gz XGCULSXQKFIOJA-VAMGGRTRSA-N 2 1 328.500 3.182 20 0 EGADMP CSc1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000542824064 459600227 /nfs/dbraw/zinc/60/02/27/459600227.db2.gz BCKZUJBKFFKADN-GOSISDBHSA-N 2 1 333.545 3.009 20 0 EGADMP CC(C)[NH2+]CCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000584225913 459685458 /nfs/dbraw/zinc/68/54/58/459685458.db2.gz JRMIQHYFQRPCDP-PCCBWWKXSA-N 2 1 329.532 3.265 20 0 EGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000584225913 459685462 /nfs/dbraw/zinc/68/54/62/459685462.db2.gz JRMIQHYFQRPCDP-PCCBWWKXSA-N 3 1 329.532 3.265 20 0 EGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000584225913 459685466 /nfs/dbraw/zinc/68/54/66/459685466.db2.gz JRMIQHYFQRPCDP-PCCBWWKXSA-N 3 1 329.532 3.265 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](O)CC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000562995287 459689387 /nfs/dbraw/zinc/68/93/87/459689387.db2.gz BNVDQKVYJGZWAP-OIISXLGYSA-N 2 1 344.421 3.190 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000563135770 459721790 /nfs/dbraw/zinc/72/17/90/459721790.db2.gz RYZKWFXKLYXECU-UHFFFAOYSA-N 3 1 325.500 3.393 20 0 EGADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000563135770 459721795 /nfs/dbraw/zinc/72/17/95/459721795.db2.gz RYZKWFXKLYXECU-UHFFFAOYSA-N 2 1 325.500 3.393 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)CNCc1ccc(C[NH3+])cc1 ZINC000563135770 459721801 /nfs/dbraw/zinc/72/18/01/459721801.db2.gz RYZKWFXKLYXECU-UHFFFAOYSA-N 2 1 325.500 3.393 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNCc1ccc(C[NH3+])cc1 ZINC000563135770 459721807 /nfs/dbraw/zinc/72/18/07/459721807.db2.gz RYZKWFXKLYXECU-UHFFFAOYSA-N 2 1 325.500 3.393 20 0 EGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CC12CC2 ZINC000527853290 459757908 /nfs/dbraw/zinc/75/79/08/459757908.db2.gz UHHYFUGKWUNJNG-SXLOBPIMSA-N 2 1 327.516 3.143 20 0 EGADMP CC(C)[NH2+]C1(CO)CC[NH+]([C@H](C)CCSc2ccccc2)CC1 ZINC000573931518 459759387 /nfs/dbraw/zinc/75/93/87/459759387.db2.gz WZLBUDYUMNEXHU-QGZVFWFLSA-N 2 1 336.545 3.382 20 0 EGADMP C[C@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000528003139 459793030 /nfs/dbraw/zinc/79/30/30/459793030.db2.gz UVPCAIBIJKXAOT-NBHGPNQESA-N 2 1 349.478 3.050 20 0 EGADMP C[C@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528003139 459793032 /nfs/dbraw/zinc/79/30/32/459793032.db2.gz UVPCAIBIJKXAOT-NBHGPNQESA-N 2 1 349.478 3.050 20 0 EGADMP COC(=O)c1oc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000597048945 459824868 /nfs/dbraw/zinc/82/48/68/459824868.db2.gz YSEKQTIDNLMVNX-GASCZTMLSA-N 2 1 336.476 3.222 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000566418258 459863913 /nfs/dbraw/zinc/86/39/13/459863913.db2.gz DTXRTAZPTBCSMB-UHFFFAOYSA-N 2 1 327.472 3.282 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000566418258 459863916 /nfs/dbraw/zinc/86/39/16/459863916.db2.gz DTXRTAZPTBCSMB-UHFFFAOYSA-N 2 1 327.472 3.282 20 0 EGADMP C[C@H](CCc1ccco1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000545948017 459877233 /nfs/dbraw/zinc/87/72/33/459877233.db2.gz VKPQKVSOGFZVOA-SJLPKXTDSA-N 2 1 347.528 3.241 20 0 EGADMP CCC[N@H+](CCCc1c[nH+]cn1C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000574887184 459888568 /nfs/dbraw/zinc/88/85/68/459888568.db2.gz STVYOMPBKZMDBR-KRWDZBQOSA-N 2 1 342.487 3.400 20 0 EGADMP CCC[N@@H+](CCCc1c[nH+]cn1C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000574887184 459888574 /nfs/dbraw/zinc/88/85/74/459888574.db2.gz STVYOMPBKZMDBR-KRWDZBQOSA-N 2 1 342.487 3.400 20 0 EGADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)cc1 ZINC000574994348 459905841 /nfs/dbraw/zinc/90/58/41/459905841.db2.gz XWGDGBXXGHBHJR-QGZVFWFLSA-N 2 1 340.471 3.234 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccccc3-c3ccccc3)C[C@H]21 ZINC000575059754 459918347 /nfs/dbraw/zinc/91/83/47/459918347.db2.gz IVMQCDVILOTIDL-MISYRCLQSA-N 2 1 349.478 3.351 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3-c3ccccc3)C[C@H]21 ZINC000575059754 459918353 /nfs/dbraw/zinc/91/83/53/459918353.db2.gz IVMQCDVILOTIDL-MISYRCLQSA-N 2 1 349.478 3.351 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000575219144 459951774 /nfs/dbraw/zinc/95/17/74/459951774.db2.gz WHTCBVBYIPIUKJ-UXPWSPDFSA-N 2 1 332.488 3.016 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000575219144 459951780 /nfs/dbraw/zinc/95/17/80/459951780.db2.gz WHTCBVBYIPIUKJ-UXPWSPDFSA-N 2 1 332.488 3.016 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000575219144 459951787 /nfs/dbraw/zinc/95/17/87/459951787.db2.gz WHTCBVBYIPIUKJ-UXPWSPDFSA-N 2 1 332.488 3.016 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000575219144 459951792 /nfs/dbraw/zinc/95/17/92/459951792.db2.gz WHTCBVBYIPIUKJ-UXPWSPDFSA-N 2 1 332.488 3.016 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)[C@@H]1c1cccs1 ZINC000621652062 459997629 /nfs/dbraw/zinc/99/76/29/459997629.db2.gz VCSFESGOYSPGQX-GPMSIDNRSA-N 2 1 349.544 3.027 20 0 EGADMP C[NH+](C)CCC1CC[NH+](CC(=O)c2c[nH]c3ccc(F)cc23)CC1 ZINC000625103281 460033074 /nfs/dbraw/zinc/03/30/74/460033074.db2.gz NQGJBCBBXDAMLL-UHFFFAOYSA-N 2 1 331.435 3.153 20 0 EGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602642677 460039540 /nfs/dbraw/zinc/03/95/40/460039540.db2.gz FXVYDFUFYLCAQL-HLNWXESRSA-N 2 1 342.483 3.286 20 0 EGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602642677 460039546 /nfs/dbraw/zinc/03/95/46/460039546.db2.gz FXVYDFUFYLCAQL-HLNWXESRSA-N 2 1 342.483 3.286 20 0 EGADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@@H]1c1ccccc1 ZINC000576364417 460127302 /nfs/dbraw/zinc/12/73/02/460127302.db2.gz GPGZNCAQBZFGFM-QKNQBKEWSA-N 2 1 327.516 3.428 20 0 EGADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@@H]1c1ccccc1 ZINC000576364417 460127307 /nfs/dbraw/zinc/12/73/07/460127307.db2.gz GPGZNCAQBZFGFM-QKNQBKEWSA-N 2 1 327.516 3.428 20 0 EGADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)C[C@@H]1c1ccccc1 ZINC000576364417 460127315 /nfs/dbraw/zinc/12/73/15/460127315.db2.gz GPGZNCAQBZFGFM-QKNQBKEWSA-N 2 1 327.516 3.428 20 0 EGADMP CC(C)(C)CNC(=O)CN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000625401541 460161874 /nfs/dbraw/zinc/16/18/74/460161874.db2.gz VORMRPNHBFOVAN-SFHVURJKSA-N 2 1 345.531 3.039 20 0 EGADMP CC(C)(C)CNC(=O)C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000625401541 460161882 /nfs/dbraw/zinc/16/18/82/460161882.db2.gz VORMRPNHBFOVAN-SFHVURJKSA-N 2 1 345.531 3.039 20 0 EGADMP COc1ccc(F)c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000622043925 460169118 /nfs/dbraw/zinc/16/91/18/460169118.db2.gz PQALMCUMEOYZEZ-ICSRJNTNSA-N 2 1 342.414 3.180 20 0 EGADMP C[NH+](C)CCC[N@H+](C)Cc1ccnc2c(Br)cccc12 ZINC000576818551 460219437 /nfs/dbraw/zinc/21/94/37/460219437.db2.gz KBXMIVXRJDUFKL-UHFFFAOYSA-N 2 1 336.277 3.381 20 0 EGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccnc2c(Br)cccc12 ZINC000576818551 460219441 /nfs/dbraw/zinc/21/94/41/460219441.db2.gz KBXMIVXRJDUFKL-UHFFFAOYSA-N 2 1 336.277 3.381 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3cc(C)c(OC)cc3C)C2)CC1 ZINC000614962716 460253279 /nfs/dbraw/zinc/25/32/79/460253279.db2.gz FAYMOHYZCGJLTF-OALUTQOASA-N 2 1 345.531 3.085 20 0 EGADMP C[C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000622507908 460269961 /nfs/dbraw/zinc/26/99/61/460269961.db2.gz FNLZKJKJICKDIY-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP CCN(Cc1n[nH]c(C(C)(C)C)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063578 460359459 /nfs/dbraw/zinc/35/94/59/460359459.db2.gz ITEFSABWZIWOSS-UHFFFAOYSA-N 2 1 329.492 3.186 20 0 EGADMP CC(C)[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)cc1F ZINC000634680095 460473121 /nfs/dbraw/zinc/47/31/21/460473121.db2.gz KDNPSRINLNJRJF-LJQANCHMSA-N 2 1 339.474 3.279 20 0 EGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000634733655 460497420 /nfs/dbraw/zinc/49/74/20/460497420.db2.gz KRVIYJRWJUESQX-FQEVSTJZSA-N 2 1 329.532 3.061 20 0 EGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000634733655 460497427 /nfs/dbraw/zinc/49/74/27/460497427.db2.gz KRVIYJRWJUESQX-FQEVSTJZSA-N 3 1 329.532 3.061 20 0 EGADMP CC(C)[NH+]1CCC(NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631667366 460500721 /nfs/dbraw/zinc/50/07/21/460500721.db2.gz OIZRELGRSLRZNZ-QUCCMNQESA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631667366 460500728 /nfs/dbraw/zinc/50/07/28/460500728.db2.gz OIZRELGRSLRZNZ-QUCCMNQESA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631667366 460500734 /nfs/dbraw/zinc/50/07/34/460500734.db2.gz OIZRELGRSLRZNZ-QUCCMNQESA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CCC(NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631667367 460501848 /nfs/dbraw/zinc/50/18/48/460501848.db2.gz OIZRELGRSLRZNZ-UYAOXDASSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631667367 460501849 /nfs/dbraw/zinc/50/18/49/460501849.db2.gz OIZRELGRSLRZNZ-UYAOXDASSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631667367 460501854 /nfs/dbraw/zinc/50/18/54/460501854.db2.gz OIZRELGRSLRZNZ-UYAOXDASSA-N 3 1 329.532 3.217 20 0 EGADMP CN(c1ccccc1)c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000619971976 460503072 /nfs/dbraw/zinc/50/30/72/460503072.db2.gz OPADHOPUPNYUDX-NRFANRHFSA-N 2 1 339.483 3.001 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000623361009 460509114 /nfs/dbraw/zinc/50/91/14/460509114.db2.gz JLQJSDSONBVNCC-HUUCEWRRSA-N 2 1 328.378 3.430 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000623361009 460509117 /nfs/dbraw/zinc/50/91/17/460509117.db2.gz JLQJSDSONBVNCC-HUUCEWRRSA-N 2 1 328.378 3.430 20 0 EGADMP O[C@@H](C[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21)C[NH+]1CCCC1 ZINC000623871382 460753545 /nfs/dbraw/zinc/75/35/45/460753545.db2.gz CJXSQZTXGCRGFG-KSSFIOAISA-N 2 1 347.890 3.245 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)CC[C@H]1C(F)(F)F ZINC000629563523 460811045 /nfs/dbraw/zinc/81/10/45/460811045.db2.gz RJSCZZAQQLAFDR-DGCLKSJQSA-N 2 1 338.320 3.247 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)CC[C@H]1C(F)(F)F ZINC000629563523 460811051 /nfs/dbraw/zinc/81/10/51/460811051.db2.gz RJSCZZAQQLAFDR-DGCLKSJQSA-N 2 1 338.320 3.247 20 0 EGADMP COc1ccccc1CCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565933 460812693 /nfs/dbraw/zinc/81/26/93/460812693.db2.gz XHQYITBOJHVRHZ-GJZGRUSLSA-N 2 1 330.394 3.087 20 0 EGADMP CCc1cccc(OCC[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629567734 460813702 /nfs/dbraw/zinc/81/37/02/460813702.db2.gz QNHKCQSEELMBQK-ZBFHGGJFSA-N 2 1 330.394 3.087 20 0 EGADMP CCc1cccc(OCC[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629567734 460813709 /nfs/dbraw/zinc/81/37/09/460813709.db2.gz QNHKCQSEELMBQK-ZBFHGGJFSA-N 2 1 330.394 3.087 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000635564826 460832479 /nfs/dbraw/zinc/83/24/79/460832479.db2.gz KRFHZWUPIXLFTI-HBFSDRIKSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000635564826 460832486 /nfs/dbraw/zinc/83/24/86/460832486.db2.gz KRFHZWUPIXLFTI-HBFSDRIKSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000635564826 460832489 /nfs/dbraw/zinc/83/24/89/460832489.db2.gz KRFHZWUPIXLFTI-HBFSDRIKSA-N 2 1 347.547 3.116 20 0 EGADMP CC(=O)N1CC[C@@H](NC[C@H]2CC[N@@H+]2C2CCCCC2)c2ccccc21 ZINC000624078156 460848400 /nfs/dbraw/zinc/84/84/00/460848400.db2.gz UPEFDIKLILOZER-UYAOXDASSA-N 2 1 341.499 3.481 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)c1OC ZINC000624122869 460872863 /nfs/dbraw/zinc/87/28/63/460872863.db2.gz AHWSFTNWEHNQEJ-DOTOQJQBSA-N 2 1 334.504 3.265 20 0 EGADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624290024 460946154 /nfs/dbraw/zinc/94/61/54/460946154.db2.gz UOQLMTMXUCKSBD-NVGVWMPQSA-N 2 1 343.298 3.489 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624290024 460946158 /nfs/dbraw/zinc/94/61/58/460946158.db2.gz UOQLMTMXUCKSBD-NVGVWMPQSA-N 2 1 343.298 3.489 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)CC[N@H+]1C ZINC000608061651 460973618 /nfs/dbraw/zinc/97/36/18/460973618.db2.gz WWZCQBSAIUHYDB-YOEHRIQHSA-N 2 1 338.455 3.406 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000635996227 461001239 /nfs/dbraw/zinc/00/12/39/461001239.db2.gz CMFCFAAQQNERLV-KRWDZBQOSA-N 2 1 326.444 3.194 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000652347771 461143061 /nfs/dbraw/zinc/14/30/61/461143061.db2.gz LMHBTPRISROMIW-BHIYHBOVSA-N 2 1 336.907 3.491 20 0 EGADMP Cc1cc(C)n(C[C@H]2CCCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)n1 ZINC000662261728 461149802 /nfs/dbraw/zinc/14/98/02/461149802.db2.gz NEHZWPQSWVCPHT-HXUWFJFHSA-N 2 1 338.499 3.200 20 0 EGADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000652354661 461151351 /nfs/dbraw/zinc/15/13/51/461151351.db2.gz DPTFRUPDPHVYQC-APWZRJJASA-N 2 1 331.504 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641168429 461161709 /nfs/dbraw/zinc/16/17/09/461161709.db2.gz FEMUDLYWFFHARN-AEFFLSMTSA-N 2 1 347.894 3.243 20 0 EGADMP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290055 461168162 /nfs/dbraw/zinc/16/81/62/461168162.db2.gz GUDKQEGOXXDCOG-MRXNPFEDSA-N 2 1 349.906 3.299 20 0 EGADMP CO[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)C1CCOCC1 ZINC000637978488 461169281 /nfs/dbraw/zinc/16/92/81/461169281.db2.gz PIECMSGZIBGSGE-WSTZPKSXSA-N 2 1 338.536 3.014 20 0 EGADMP CO[C@H](C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)C1CCOCC1 ZINC000637978488 461169288 /nfs/dbraw/zinc/16/92/88/461169288.db2.gz PIECMSGZIBGSGE-WSTZPKSXSA-N 2 1 338.536 3.014 20 0 EGADMP CO[C@H](C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)C1CCOCC1 ZINC000637978488 461169295 /nfs/dbraw/zinc/16/92/95/461169295.db2.gz PIECMSGZIBGSGE-WSTZPKSXSA-N 2 1 338.536 3.014 20 0 EGADMP FC(F)(F)c1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc1 ZINC000662293565 461169733 /nfs/dbraw/zinc/16/97/33/461169733.db2.gz LYIVGWQYSQXGBY-AWEZNQCLSA-N 2 1 327.394 3.312 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)[C@@H]1CCC[NH3+] ZINC000662314985 461186041 /nfs/dbraw/zinc/18/60/41/461186041.db2.gz QGNRDCBUKBNCIM-MLGOLLRUSA-N 2 1 348.878 3.328 20 0 EGADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](c3nccn3C)C3CC3)C2)[nH+]1 ZINC000638008338 461194532 /nfs/dbraw/zinc/19/45/32/461194532.db2.gz YYIKUGLOJVPXAG-MAUKXSAKSA-N 2 1 325.460 3.009 20 0 EGADMP CC(C)CCOCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326980 461195127 /nfs/dbraw/zinc/19/51/27/461195127.db2.gz CBHVVOFQMXWCRL-UHFFFAOYSA-N 2 1 348.535 3.119 20 0 EGADMP C[C@H](c1ccncc1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327483 461195197 /nfs/dbraw/zinc/19/51/97/461195197.db2.gz PEBXGNXJFSIERK-OAHLLOKOSA-N 2 1 339.487 3.212 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CC[C@H](C[NH+]3CCCCC3)C1)CC2 ZINC000638119723 461253812 /nfs/dbraw/zinc/25/38/12/461253812.db2.gz ABMPVFVFSAUDNV-APWZRJJASA-N 2 1 344.499 3.499 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@H+]1CC[C@H](C[NH+]3CCCCC3)C1)CC2 ZINC000638119723 461253818 /nfs/dbraw/zinc/25/38/18/461253818.db2.gz ABMPVFVFSAUDNV-APWZRJJASA-N 2 1 344.499 3.499 20 0 EGADMP CCN(CCC[NH+](C)C)C(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662534547 461286246 /nfs/dbraw/zinc/28/62/46/461286246.db2.gz DEQZZOUEIWDNLA-OAHLLOKOSA-N 2 1 346.302 3.054 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(C)(C)Oc1ccccc1 ZINC000638181036 461294431 /nfs/dbraw/zinc/29/44/31/461294431.db2.gz LOFMUYGHRKPQKR-QRQLOZEOSA-N 2 1 332.488 3.028 20 0 EGADMP c1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc[nH+]1 ZINC000668587893 461342163 /nfs/dbraw/zinc/34/21/63/461342163.db2.gz SSVUOERUGULARM-GOSISDBHSA-N 3 1 328.504 3.047 20 0 EGADMP c1cc(N2CCC([NH2+][C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)cc[nH+]1 ZINC000668587893 461342172 /nfs/dbraw/zinc/34/21/72/461342172.db2.gz SSVUOERUGULARM-GOSISDBHSA-N 3 1 328.504 3.047 20 0 EGADMP CC(C)NC(=O)CNC[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638278507 461346089 /nfs/dbraw/zinc/34/60/89/461346089.db2.gz CDGIXMDVQLLYTD-OAQYLSRUSA-N 2 1 345.531 3.039 20 0 EGADMP CC(C)NC(=O)C[NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638278507 461346095 /nfs/dbraw/zinc/34/60/95/461346095.db2.gz CDGIXMDVQLLYTD-OAQYLSRUSA-N 2 1 345.531 3.039 20 0 EGADMP CC(C)NC(=O)C[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638278507 461346101 /nfs/dbraw/zinc/34/61/01/461346101.db2.gz CDGIXMDVQLLYTD-OAQYLSRUSA-N 2 1 345.531 3.039 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C[C@H]1C ZINC000662743201 461364708 /nfs/dbraw/zinc/36/47/08/461364708.db2.gz LAKIGYAPAQFLAO-MNEFBYGVSA-N 2 1 343.515 3.010 20 0 EGADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Nc1ccccc1 ZINC000655711168 461380051 /nfs/dbraw/zinc/38/00/51/461380051.db2.gz FWDZJUWJABSZMR-RTWAWAEBSA-N 2 1 345.531 3.356 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000641805511 461380839 /nfs/dbraw/zinc/38/08/39/461380839.db2.gz NDHPEZGSEFQNDV-ZEGGKSINSA-N 2 1 330.259 3.036 20 0 EGADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000641805161 461380940 /nfs/dbraw/zinc/38/09/40/461380940.db2.gz MNSRGRZHYVNSAC-QZTJIDSGSA-N 2 1 339.439 3.133 20 0 EGADMP Cc1nnsc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000638363775 461389184 /nfs/dbraw/zinc/38/91/84/461389184.db2.gz RCIQFKXQNBUJSU-CQSZACIVSA-N 2 1 330.501 3.368 20 0 EGADMP Cc1nnsc1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000638363775 461389194 /nfs/dbraw/zinc/38/91/94/461389194.db2.gz RCIQFKXQNBUJSU-CQSZACIVSA-N 2 1 330.501 3.368 20 0 EGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000655733072 461401976 /nfs/dbraw/zinc/40/19/76/461401976.db2.gz IUNPBJJYEUNRAJ-MOPGFXCFSA-N 2 1 336.520 3.101 20 0 EGADMP COc1cccc(C(C)(C)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655735161 461404083 /nfs/dbraw/zinc/40/40/83/461404083.db2.gz RFTNXQXOCCACGH-FQEVSTJZSA-N 2 1 346.515 3.206 20 0 EGADMP Cn1cc(CCC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638482129 461449974 /nfs/dbraw/zinc/44/99/74/461449974.db2.gz ZKHLEUHQTYVWCD-PZJWPPBQSA-N 2 1 338.499 3.310 20 0 EGADMP Cn1cc(CCC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638482129 461449980 /nfs/dbraw/zinc/44/99/80/461449980.db2.gz ZKHLEUHQTYVWCD-PZJWPPBQSA-N 2 1 338.499 3.310 20 0 EGADMP Clc1cccc2c1C[C@@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CC2 ZINC000666088636 461450695 /nfs/dbraw/zinc/45/06/95/461450695.db2.gz FTVLBJSADJJLKY-KRWDZBQOSA-N 2 1 348.918 3.432 20 0 EGADMP c1ccc([C@@H]2C[C@H](N[C@@H]3CC[N@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638565839 461486598 /nfs/dbraw/zinc/48/65/98/461486598.db2.gz XWFOBYHYTLFHIN-OPYAIIAOSA-N 2 1 325.500 3.181 20 0 EGADMP c1ccc([C@@H]2C[C@H](N[C@@H]3CC[NH+](C4CC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000638565839 461486607 /nfs/dbraw/zinc/48/66/07/461486607.db2.gz XWFOBYHYTLFHIN-OPYAIIAOSA-N 2 1 325.500 3.181 20 0 EGADMP c1ccc([C@@H]2C[C@H](N[C@@H]3CC[NH+](C4CC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000638565839 461486613 /nfs/dbraw/zinc/48/66/13/461486613.db2.gz XWFOBYHYTLFHIN-OPYAIIAOSA-N 2 1 325.500 3.181 20 0 EGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccns2)CC1 ZINC000638568597 461488735 /nfs/dbraw/zinc/48/87/35/461488735.db2.gz SCVXOFZIXMCEDD-AWEZNQCLSA-N 2 1 348.491 3.275 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659974322 461524843 /nfs/dbraw/zinc/52/48/43/461524843.db2.gz HMHAJKMMUVKHJK-CRAIPNDOSA-N 2 1 347.528 3.153 20 0 EGADMP OCc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000647229116 461575086 /nfs/dbraw/zinc/57/50/86/461575086.db2.gz MYQMRQBHCJWKEJ-UHFFFAOYSA-N 2 1 342.458 3.115 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC[C@H]1CCc2ccccc21 ZINC000660115554 461587764 /nfs/dbraw/zinc/58/77/64/461587764.db2.gz BIBNDFCXSGHXFZ-UKAVVXHISA-N 2 1 328.500 3.290 20 0 EGADMP Cc1cc(CO)cc(NC2CC[NH+](CCc3ccccc3)CC2)[nH+]1 ZINC000663389173 461609024 /nfs/dbraw/zinc/60/90/24/461609024.db2.gz XBONAHHRCJXIKH-UHFFFAOYSA-N 2 1 325.456 3.001 20 0 EGADMP COc1ccc2ccccc2c1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638850388 461617714 /nfs/dbraw/zinc/61/77/14/461617714.db2.gz DZDHLFSIFSVSRX-UHFFFAOYSA-N 2 1 342.483 3.173 20 0 EGADMP Cc1cc(N2CCC([NH2+]Cc3cc4ccccc4n3C)CC2)nc(C)[nH+]1 ZINC000638874010 461634335 /nfs/dbraw/zinc/63/43/35/461634335.db2.gz OSEIARWIHUNQSW-UHFFFAOYSA-N 2 1 349.482 3.344 20 0 EGADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663467093 461657361 /nfs/dbraw/zinc/65/73/61/461657361.db2.gz ZNFLTCXTWJPTFO-IPMKNSEASA-N 2 1 330.520 3.158 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000663470652 461659462 /nfs/dbraw/zinc/65/94/62/461659462.db2.gz VZYIDHJHEKQCAI-DOTOQJQBSA-N 2 1 341.499 3.344 20 0 EGADMP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469959 461659667 /nfs/dbraw/zinc/65/96/67/461659667.db2.gz RZQXGPYGQXHUQF-PZJWPPBQSA-N 2 1 348.506 3.485 20 0 EGADMP CCn1nccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000663470243 461660777 /nfs/dbraw/zinc/66/07/77/461660777.db2.gz UDJNTZXQINVTFL-NJDAHSKKSA-N 2 1 338.499 3.436 20 0 EGADMP CCn1nccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000663470243 461660781 /nfs/dbraw/zinc/66/07/81/461660781.db2.gz UDJNTZXQINVTFL-NJDAHSKKSA-N 2 1 338.499 3.436 20 0 EGADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471833 461661597 /nfs/dbraw/zinc/66/15/97/461661597.db2.gz YOVRKMBZQBHLEV-RDJZCZTQSA-N 2 1 347.478 3.254 20 0 EGADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471834 461662674 /nfs/dbraw/zinc/66/26/74/461662674.db2.gz YOVRKMBZQBHLEV-WBVHZDCISA-N 2 1 347.478 3.254 20 0 EGADMP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000637808450 461727094 /nfs/dbraw/zinc/72/70/94/461727094.db2.gz GMCGFWCTFHINMY-LJQANCHMSA-N 2 1 337.467 3.257 20 0 EGADMP CC(C)c1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)on1 ZINC000643455258 461732158 /nfs/dbraw/zinc/73/21/58/461732158.db2.gz QEFRJIQNTCAYJP-PKOBYXMFSA-N 2 1 327.428 3.144 20 0 EGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000643462287 461734443 /nfs/dbraw/zinc/73/44/43/461734443.db2.gz ZFVNLOPOMAPMFV-WOJBJXKFSA-N 2 1 325.456 3.410 20 0 EGADMP Cc1cc(Br)cc(C[N@H+](C)CCC[NH3+])c1OC(F)F ZINC000647496996 461734543 /nfs/dbraw/zinc/73/45/43/461734543.db2.gz MFIHVMAMZOJQGF-UHFFFAOYSA-N 2 1 337.208 3.140 20 0 EGADMP Cc1cc(Br)cc(C[N@@H+](C)CCC[NH3+])c1OC(F)F ZINC000647496996 461734549 /nfs/dbraw/zinc/73/45/49/461734549.db2.gz MFIHVMAMZOJQGF-UHFFFAOYSA-N 2 1 337.208 3.140 20 0 EGADMP Cc1cc(CO)cc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[nH+]1 ZINC000663659826 461739297 /nfs/dbraw/zinc/73/92/97/461739297.db2.gz HXEGQZQTSFDLGC-YJBOKZPZSA-N 2 1 331.485 3.439 20 0 EGADMP Cc1cc(CO)cc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[nH+]1 ZINC000663659826 461739310 /nfs/dbraw/zinc/73/93/10/461739310.db2.gz HXEGQZQTSFDLGC-YJBOKZPZSA-N 2 1 331.485 3.439 20 0 EGADMP CC[NH2+]CCC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000643499100 461746379 /nfs/dbraw/zinc/74/63/79/461746379.db2.gz SWRFQXHTLPGSJC-JKSUJKDBSA-N 2 1 341.293 3.258 20 0 EGADMP Cn1c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc2cc(Cl)ccc21 ZINC000647544244 461760026 /nfs/dbraw/zinc/76/00/26/461760026.db2.gz YMTUZWVDJUBGEB-CABCVRRESA-N 2 1 346.906 3.438 20 0 EGADMP c1ccc2c(CC[N@H+]3CC[C@@H](Oc4ccncc4)C3)nsc2c1 ZINC000660435029 461777516 /nfs/dbraw/zinc/77/75/16/461777516.db2.gz JFVRDBMBBUJPMO-OAHLLOKOSA-N 2 1 325.437 3.387 20 0 EGADMP C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000666774144 461797312 /nfs/dbraw/zinc/79/73/12/461797312.db2.gz FYUWYEBIAIFLCI-GDBMZVCRSA-N 2 1 332.879 3.063 20 0 EGADMP O=c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c[nH]1 ZINC000639204474 461801918 /nfs/dbraw/zinc/80/19/18/461801918.db2.gz AASFEKLNXLKQQS-UHFFFAOYSA-N 2 1 337.467 3.275 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000643973793 461849114 /nfs/dbraw/zinc/84/91/14/461849114.db2.gz VEFQUMSIPKJQLV-OAHLLOKOSA-N 2 1 340.471 3.049 20 0 EGADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647873402 461867458 /nfs/dbraw/zinc/86/74/58/461867458.db2.gz FWPNRPSGXYQQCO-INIZCTEOSA-N 2 1 327.476 3.040 20 0 EGADMP Clc1ccc(O[C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000647891539 461872437 /nfs/dbraw/zinc/87/24/37/461872437.db2.gz NIUZHZYREOAFSB-TZMCWYRMSA-N 2 1 329.271 3.446 20 0 EGADMP Cc1cc(CO)cc(NCC2([N@@H+](C)Cc3ccccc3)CCC2)n1 ZINC000663963334 461889812 /nfs/dbraw/zinc/88/98/12/461889812.db2.gz NXPABAWRXAJPMZ-UHFFFAOYSA-N 2 1 325.456 3.349 20 0 EGADMP CC[C@@H]1C[N@@H+](CC2(COc3cccc(COC)c3)CCC2)CC[C@H]1[NH3+] ZINC000647934878 461891977 /nfs/dbraw/zinc/89/19/77/461891977.db2.gz SZICLSGZNWCJCR-UYAOXDASSA-N 2 1 346.515 3.441 20 0 EGADMP Cn1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(-c2cccs2)n1 ZINC000656784023 461893917 /nfs/dbraw/zinc/89/39/17/461893917.db2.gz XTWVODRWVBVVPY-INIZCTEOSA-N 2 1 344.528 3.360 20 0 EGADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647938357 461896631 /nfs/dbraw/zinc/89/66/31/461896631.db2.gz KQLBOQKYBZUVAO-MAUKXSAKSA-N 2 1 325.456 3.228 20 0 EGADMP CCCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650705985 461899073 /nfs/dbraw/zinc/89/90/73/461899073.db2.gz BLTKNFIEKFQFNI-NLWGTHIKSA-N 2 1 332.488 3.194 20 0 EGADMP CCCOc1c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cccc1OCC ZINC000650708570 461903172 /nfs/dbraw/zinc/90/31/72/461903172.db2.gz DUFXRLPNDAMOLN-PXNSSMCTSA-N 2 1 332.488 3.435 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000650724112 461916037 /nfs/dbraw/zinc/91/60/37/461916037.db2.gz YIXCEFZZZHAOFK-XOKHGSTOSA-N 2 1 326.843 3.340 20 0 EGADMP CC1(C)Cc2cc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)ccc2O1 ZINC000650723918 461916181 /nfs/dbraw/zinc/91/61/81/461916181.db2.gz VTYSIHROIQMPFI-QWFCFKBJSA-N 2 1 344.499 3.261 20 0 EGADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000647975918 461916788 /nfs/dbraw/zinc/91/67/88/461916788.db2.gz HOVTVRFSWXYFSP-HOTGVXAUSA-N 2 1 349.906 3.380 20 0 EGADMP FC(F)(F)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc1 ZINC000647978888 461920549 /nfs/dbraw/zinc/92/05/49/461920549.db2.gz ZWWPOLOTVKQVBW-KBPBESRZSA-N 2 1 327.394 3.312 20 0 EGADMP FC(F)(F)c1ccn([C@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000647989978 461925653 /nfs/dbraw/zinc/92/56/53/461925653.db2.gz LSHLUVZETYHYMP-HNNXBMFYSA-N 2 1 344.425 3.319 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000648150653 461990232 /nfs/dbraw/zinc/99/02/32/461990232.db2.gz ZAZYYGWKHLPFBT-IHETXDGRSA-N 2 1 349.906 3.204 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000648150653 461990236 /nfs/dbraw/zinc/99/02/36/461990236.db2.gz ZAZYYGWKHLPFBT-IHETXDGRSA-N 2 1 349.906 3.204 20 0 EGADMP CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000667196572 461991519 /nfs/dbraw/zinc/99/15/19/461991519.db2.gz ZRUJEYXHQQUWFF-SFHVURJKSA-N 2 1 346.519 3.477 20 0 EGADMP C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)Cc1cccs1 ZINC000644575331 461992710 /nfs/dbraw/zinc/99/27/10/461992710.db2.gz GOEDAWBLNZINDD-FUHWJXTLSA-N 2 1 332.513 3.009 20 0 EGADMP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)Cc1cccs1 ZINC000644575331 461992712 /nfs/dbraw/zinc/99/27/12/461992712.db2.gz GOEDAWBLNZINDD-FUHWJXTLSA-N 2 1 332.513 3.009 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660856604 461996683 /nfs/dbraw/zinc/99/66/83/461996683.db2.gz QGLOJBQFXNZKOH-QGZVFWFLSA-N 2 1 326.488 3.302 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000639579088 462000256 /nfs/dbraw/zinc/00/02/56/462000256.db2.gz GRXKOOJLMBBCAM-XYJFISCASA-N 2 1 330.472 3.069 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1 ZINC000657260434 462008518 /nfs/dbraw/zinc/00/85/18/462008518.db2.gz JGQGSJJLLBSJGM-LEWJYISDSA-N 2 1 346.515 3.000 20 0 EGADMP COc1ccc(CNCc2cnc3n2CCC3)c(C(F)(F)F)c1 ZINC000657342318 462059984 /nfs/dbraw/zinc/05/99/84/462059984.db2.gz LDIXXFRYNWECBH-UHFFFAOYSA-N 2 1 325.334 3.147 20 0 EGADMP CC(C)c1n[nH]c(CC2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000639719167 462075149 /nfs/dbraw/zinc/07/51/49/462075149.db2.gz ZWJJOZNAEKYZCJ-KRWDZBQOSA-N 2 1 333.524 3.057 20 0 EGADMP C[N@@H+](Cc1ccc2c(c1)CCCC2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000644833915 462097987 /nfs/dbraw/zinc/09/79/87/462097987.db2.gz NDVHTBFZCWNAAT-JOCHJYFZSA-N 2 1 341.543 3.166 20 0 EGADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1C ZINC000657432070 462120088 /nfs/dbraw/zinc/12/00/88/462120088.db2.gz NSZAESPXXFSUMK-SESVDKBCSA-N 2 1 338.499 3.119 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667672814 462206320 /nfs/dbraw/zinc/20/63/20/462206320.db2.gz HWFAYZXLWOVTFH-QUCCMNQESA-N 2 1 332.488 3.018 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667672814 462206326 /nfs/dbraw/zinc/20/63/26/462206326.db2.gz HWFAYZXLWOVTFH-QUCCMNQESA-N 2 1 332.488 3.018 20 0 EGADMP Fc1ccc(COc2ccccc2C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000667713007 462227396 /nfs/dbraw/zinc/22/73/96/462227396.db2.gz VGYWNLQYWSRTBY-IRXDYDNUSA-N 2 1 344.405 3.195 20 0 EGADMP COCc1ccccc1/C=C(/C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751212 462252145 /nfs/dbraw/zinc/25/21/45/462252145.db2.gz HCNLAWOOSQNULR-WYPWOVKWSA-N 2 1 344.499 3.079 20 0 EGADMP CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000648794085 462280249 /nfs/dbraw/zinc/28/02/49/462280249.db2.gz QVNFONRCDUFGML-LJQANCHMSA-N 2 1 346.515 3.144 20 0 EGADMP CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000648798806 462282783 /nfs/dbraw/zinc/28/27/83/462282783.db2.gz INZNPKZDXUAOHR-RTBURBONSA-N 2 1 332.488 3.016 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@@H]1CCCn2nccc21 ZINC000657907757 462314743 /nfs/dbraw/zinc/31/47/43/462314743.db2.gz QYPXQANEHQGAFA-ZHALLVOQSA-N 2 1 338.499 3.464 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc4c3CCC4)CC2)CC1 ZINC000651833482 462351962 /nfs/dbraw/zinc/35/19/62/462351962.db2.gz CMJXRHHILLOTPC-UHFFFAOYSA-N 2 1 341.543 3.167 20 0 EGADMP C[C@@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658090367 462379002 /nfs/dbraw/zinc/37/90/02/462379002.db2.gz GROCXUZSJKLXJH-AEFFLSMTSA-N 2 1 333.520 3.150 20 0 EGADMP C[C@@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658090367 462379006 /nfs/dbraw/zinc/37/90/06/462379006.db2.gz GROCXUZSJKLXJH-AEFFLSMTSA-N 2 1 333.520 3.150 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)CC[NH2+]2)cc1 ZINC000665299446 462390685 /nfs/dbraw/zinc/39/06/85/462390685.db2.gz NDQZAHXDDBJEOX-RTWAWAEBSA-N 3 1 327.516 3.191 20 0 EGADMP C[C@H](COCC1CC1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000651982549 462401229 /nfs/dbraw/zinc/40/12/29/462401229.db2.gz AWBZUJWIXWVEPO-MRXNPFEDSA-N 2 1 334.479 3.237 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c(C2CC2)cnn1C ZINC000658214716 462431687 /nfs/dbraw/zinc/43/16/87/462431687.db2.gz ZDPCAUPARCNRRD-UZLBHIALSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c(C2CC2)cnn1C ZINC000658214716 462431692 /nfs/dbraw/zinc/43/16/92/462431692.db2.gz ZDPCAUPARCNRRD-UZLBHIALSA-N 2 1 338.499 3.298 20 0 EGADMP COc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532292 462432100 /nfs/dbraw/zinc/43/21/00/462432100.db2.gz SFCDUYAFFULURD-KRWDZBQOSA-N 2 1 347.503 3.220 20 0 EGADMP OC[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC1CC1 ZINC000658257300 462445313 /nfs/dbraw/zinc/44/53/13/462445313.db2.gz ZLDYAXYHIYVFIO-XSDIEEQYSA-N 2 1 328.500 3.180 20 0 EGADMP CC[N@@H+](CCCNC(=O)NC[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000652208757 462472857 /nfs/dbraw/zinc/47/28/57/462472857.db2.gz OGGLSCPDNRYZOX-LJQANCHMSA-N 2 1 346.519 3.030 20 0 EGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000181308703 534248382 /nfs/dbraw/zinc/24/83/82/534248382.db2.gz HJIZQVCTTVBQMB-YDHLFZDLSA-N 2 1 325.294 3.452 20 0 EGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000181308703 534248385 /nfs/dbraw/zinc/24/83/85/534248385.db2.gz HJIZQVCTTVBQMB-YDHLFZDLSA-N 2 1 325.294 3.452 20 0 EGADMP OCC[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000188017583 534373705 /nfs/dbraw/zinc/37/37/05/534373705.db2.gz KOSFVPRLLNQKKB-XNTOXWQXSA-N 2 1 328.500 3.038 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(OC)c2)[C@H](C)C1 ZINC000177986243 528665137 /nfs/dbraw/zinc/66/51/37/528665137.db2.gz LVYGDHHXJSYDIX-IEBWSBKVSA-N 2 1 334.504 3.230 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)[C@H](C)C1 ZINC000174399931 528668092 /nfs/dbraw/zinc/66/80/92/528668092.db2.gz DVAWHFXVBYNVNO-XLIONFOSSA-N 2 1 341.499 3.461 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)[C@H](C)C1 ZINC000174399931 528668095 /nfs/dbraw/zinc/66/80/95/528668095.db2.gz DVAWHFXVBYNVNO-XLIONFOSSA-N 2 1 341.499 3.461 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000167145924 528844712 /nfs/dbraw/zinc/84/47/12/528844712.db2.gz KZHNHHVNHPWSGC-LNLFQRSKSA-N 2 1 334.504 3.229 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000167145924 528844721 /nfs/dbraw/zinc/84/47/21/528844721.db2.gz KZHNHHVNHPWSGC-LNLFQRSKSA-N 2 1 334.504 3.229 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@H](C)c1cccs1 ZINC000191481365 528863175 /nfs/dbraw/zinc/86/31/75/528863175.db2.gz GCTMHLZLBGAPDT-OAHLLOKOSA-N 2 1 348.516 3.096 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@H](C)c1cccs1 ZINC000191481365 528863180 /nfs/dbraw/zinc/86/31/80/528863180.db2.gz GCTMHLZLBGAPDT-OAHLLOKOSA-N 2 1 348.516 3.096 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)c1c(F)cccc1F ZINC000191471279 528864158 /nfs/dbraw/zinc/86/41/58/528864158.db2.gz IKNLYIDACGHFTL-MRXNPFEDSA-N 2 1 337.414 3.169 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)c1c(F)cccc1F ZINC000191471279 528864162 /nfs/dbraw/zinc/86/41/62/528864162.db2.gz IKNLYIDACGHFTL-MRXNPFEDSA-N 2 1 337.414 3.169 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000183700151 529024307 /nfs/dbraw/zinc/02/43/07/529024307.db2.gz XMPLQXSBCNRORD-CYBMUJFWSA-N 2 1 326.282 3.054 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000183700151 529024310 /nfs/dbraw/zinc/02/43/10/529024310.db2.gz XMPLQXSBCNRORD-CYBMUJFWSA-N 2 1 326.282 3.054 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000154453442 529143812 /nfs/dbraw/zinc/14/38/12/529143812.db2.gz SOFKFWLUDQTITN-NRFANRHFSA-N 2 1 329.532 3.015 20 0 EGADMP CC[C@@H](C(=O)NCC1(C[NH+](C)C)CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000339519769 535406194 /nfs/dbraw/zinc/40/61/94/535406194.db2.gz VMFXTWYGFGLFAP-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1)C1CC1 ZINC000338029149 535782146 /nfs/dbraw/zinc/78/21/46/535782146.db2.gz MVIAOGZKGIIQHE-UHFFFAOYSA-N 2 1 343.515 3.277 20 0 EGADMP CC[C@@]1(C)C[C@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363965491 536066452 /nfs/dbraw/zinc/06/64/52/536066452.db2.gz PFGZGNPYQUIPAV-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000266180419 536403168 /nfs/dbraw/zinc/40/31/68/536403168.db2.gz SFXPCFSHTRELOV-FQEVSTJZSA-N 2 1 343.515 3.229 20 0 EGADMP FC(F)(F)Oc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000120863717 546719537 /nfs/dbraw/zinc/71/95/37/546719537.db2.gz GXECEENOAHGXDR-UHFFFAOYSA-N 2 1 337.345 3.302 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166190849 546987926 /nfs/dbraw/zinc/98/79/26/546987926.db2.gz XZBHJQIAXCMBEK-WOJBJXKFSA-N 2 1 345.531 3.124 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166190849 546987931 /nfs/dbraw/zinc/98/79/31/546987931.db2.gz XZBHJQIAXCMBEK-WOJBJXKFSA-N 3 1 345.531 3.124 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166190849 546987937 /nfs/dbraw/zinc/98/79/37/546987937.db2.gz XZBHJQIAXCMBEK-WOJBJXKFSA-N 3 1 345.531 3.124 20 0 EGADMP Cc1cc2cc(C[NH2+]CCCN3CCC[N@H+](C)CC3)oc2cc1C ZINC000174977263 547008098 /nfs/dbraw/zinc/00/80/98/547008098.db2.gz FNIJJKYERPGONM-UHFFFAOYSA-N 2 1 329.488 3.167 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000178071019 547033319 /nfs/dbraw/zinc/03/33/19/547033319.db2.gz SZTPRZXVLIYSJT-RHSMWYFYSA-N 2 1 338.492 3.189 20 0 EGADMP Cc1nc2ccccc2nc1C[N@H+](C)CCCN(C)Cc1ccco1 ZINC000285848832 547390392 /nfs/dbraw/zinc/39/03/92/547390392.db2.gz XURDLMJVPYUBLE-UHFFFAOYSA-N 2 1 338.455 3.485 20 0 EGADMP C[C@H]([NH2+]CC1(CO)CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310119082 547461955 /nfs/dbraw/zinc/46/19/55/547461955.db2.gz HRKNMGGMVCGWFM-ICSRJNTNSA-N 2 1 330.516 3.429 20 0 EGADMP c1csc(C[NH+]2CCC[C@H](CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000339068279 547567685 /nfs/dbraw/zinc/56/76/85/547567685.db2.gz CWRWGCPATRGMIF-FGTMMUONSA-N 2 1 333.545 3.177 20 0 EGADMP c1csc(C[N@H+]2CCC[C@H](CN[C@H]3CC[NH+]4CCC[C@@H]4C3)C2)c1 ZINC000339068279 547567686 /nfs/dbraw/zinc/56/76/86/547567686.db2.gz CWRWGCPATRGMIF-FGTMMUONSA-N 2 1 333.545 3.177 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@H](CN[C@H]3CC[NH+]4CCC[C@@H]4C3)C2)c1 ZINC000339068279 547567691 /nfs/dbraw/zinc/56/76/91/547567691.db2.gz CWRWGCPATRGMIF-FGTMMUONSA-N 2 1 333.545 3.177 20 0 EGADMP c1csc(CN2CCC[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000339068279 547567696 /nfs/dbraw/zinc/56/76/96/547567696.db2.gz CWRWGCPATRGMIF-FGTMMUONSA-N 2 1 333.545 3.177 20 0 EGADMP c1csc(CN2CCC[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000339068279 547567699 /nfs/dbraw/zinc/56/76/99/547567699.db2.gz CWRWGCPATRGMIF-FGTMMUONSA-N 2 1 333.545 3.177 20 0 EGADMP FC(F)(F)COCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339070028 547568352 /nfs/dbraw/zinc/56/83/52/547568352.db2.gz VSTSKIKCBMYCOA-SJORKVTESA-N 2 1 342.405 3.482 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068638 547569417 /nfs/dbraw/zinc/56/94/17/547569417.db2.gz RWHYWBWGZUNTBC-GJZGRUSLSA-N 2 1 335.879 3.193 20 0 EGADMP CCN(CC)C[C@H](C)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000344207873 547609428 /nfs/dbraw/zinc/60/94/28/547609428.db2.gz HCIBDOYHCYCIOK-SFHVURJKSA-N 2 1 346.563 3.037 20 0 EGADMP C[C@H]1[N@@H+](CCCCC[NH+]2CCOC(C)(C)[C@@H]2C)CCOC1(C)C ZINC000357649084 547739331 /nfs/dbraw/zinc/73/93/31/547739331.db2.gz ISUPCVNKBYYTTF-CALCHBBNSA-N 2 1 326.525 3.155 20 0 EGADMP C[C@H]1[NH+](CCCCC[N@@H+]2CCOC(C)(C)[C@@H]2C)CCOC1(C)C ZINC000357649084 547739334 /nfs/dbraw/zinc/73/93/34/547739334.db2.gz ISUPCVNKBYYTTF-CALCHBBNSA-N 2 1 326.525 3.155 20 0 EGADMP C[C@H]1[NH+](CCCCC[N@H+]2CCOC(C)(C)[C@@H]2C)CCOC1(C)C ZINC000357649084 547739336 /nfs/dbraw/zinc/73/93/36/547739336.db2.gz ISUPCVNKBYYTTF-CALCHBBNSA-N 2 1 326.525 3.155 20 0 EGADMP Cc1cccc(C)c1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425946953 547886017 /nfs/dbraw/zinc/88/60/17/547886017.db2.gz YNMKPUNEHNPPDH-QFIPXVFZSA-N 2 1 338.495 3.372 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425946953 547886021 /nfs/dbraw/zinc/88/60/21/547886021.db2.gz YNMKPUNEHNPPDH-QFIPXVFZSA-N 2 1 338.495 3.372 20 0 EGADMP Cc1cccc(C)c1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425946953 547886024 /nfs/dbraw/zinc/88/60/24/547886024.db2.gz YNMKPUNEHNPPDH-QFIPXVFZSA-N 2 1 338.495 3.372 20 0 EGADMP Cc1cccc(C)c1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425946953 547886027 /nfs/dbraw/zinc/88/60/27/547886027.db2.gz YNMKPUNEHNPPDH-QFIPXVFZSA-N 2 1 338.495 3.372 20 0 EGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000671309255 548276553 /nfs/dbraw/zinc/27/65/53/548276553.db2.gz QTHRGMNBGKYRRC-LEWJYISDSA-N 2 1 344.499 3.305 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000675492053 548929117 /nfs/dbraw/zinc/92/91/17/548929117.db2.gz RPYCEAFOFZIJJQ-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP c1ccc2c(c1)CSC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675880834 548995139 /nfs/dbraw/zinc/99/51/39/548995139.db2.gz HNTOKIHVVGXNNB-PKOBYXMFSA-N 2 1 332.513 3.208 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000678133463 549405507 /nfs/dbraw/zinc/40/55/07/549405507.db2.gz BERUFKGWAXZHKS-NRFANRHFSA-N 2 1 340.467 3.201 20 0 EGADMP C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678185204 549420349 /nfs/dbraw/zinc/42/03/49/549420349.db2.gz WRONIXMJCUADFS-SFHVURJKSA-N 2 1 342.483 3.010 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000678286381 549460391 /nfs/dbraw/zinc/46/03/91/549460391.db2.gz SOCZPKQHDYWQTF-UTKZUKDTSA-N 2 1 327.516 3.022 20 0 EGADMP C[NH+](C)CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679328180 549688830 /nfs/dbraw/zinc/68/88/30/549688830.db2.gz CFPZGDDLWCGGKD-CVEARBPZSA-N 2 1 341.293 3.211 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000679461546 549712518 /nfs/dbraw/zinc/71/25/18/549712518.db2.gz ZAJUCRMWZAPHBX-UHFFFAOYSA-N 2 1 346.519 3.312 20 0 EGADMP c1cc2c(nc[nH+]c2N[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH]1 ZINC000680074685 549816429 /nfs/dbraw/zinc/81/64/29/549816429.db2.gz XJASGBJRMHLZAX-JQHSSLGASA-N 2 1 333.439 3.280 20 0 EGADMP c1cc2c(nc[nH+]c2N[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH]1 ZINC000680074685 549816431 /nfs/dbraw/zinc/81/64/31/549816431.db2.gz XJASGBJRMHLZAX-JQHSSLGASA-N 2 1 333.439 3.280 20 0 EGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccccc2)C1 ZINC000680827479 549915358 /nfs/dbraw/zinc/91/53/58/549915358.db2.gz YLCLFLVTYXJKGL-PMACEKPBSA-N 2 1 344.886 3.280 20 0 EGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccccc2)C1 ZINC000680827479 549915361 /nfs/dbraw/zinc/91/53/61/549915361.db2.gz YLCLFLVTYXJKGL-PMACEKPBSA-N 2 1 344.886 3.280 20 0 EGADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000682086027 550071920 /nfs/dbraw/zinc/07/19/20/550071920.db2.gz BKNJTCGVTWLCJB-VNQPRFMTSA-N 2 1 334.426 3.341 20 0 EGADMP CCn1ccc(C[NH+](C)C/C=C\C[N@H+](C)Cc2ccn(CC)c2)c1 ZINC000683031301 550181097 /nfs/dbraw/zinc/18/10/97/550181097.db2.gz UMZRCPQXTQVXCH-FPLPWBNLSA-N 2 1 328.504 3.449 20 0 EGADMP C[C@@H]([N@@H+](C)CCS(=O)(=O)CC[NH+](C)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000742588358 576791088 /nfs/dbraw/zinc/79/10/88/576791088.db2.gz IZNHRGQYYCPDQA-IYBDPMFKSA-N 2 1 348.597 3.134 20 0 EGADMP C[C@@H]([NH+](C)CCS(=O)(=O)CC[N@H+](C)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000742588358 576791090 /nfs/dbraw/zinc/79/10/90/576791090.db2.gz IZNHRGQYYCPDQA-IYBDPMFKSA-N 2 1 348.597 3.134 20 0 EGADMP C[C@@H]([NH+](C)CCS(=O)(=O)CC[N@@H+](C)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000742588358 576791091 /nfs/dbraw/zinc/79/10/91/576791091.db2.gz IZNHRGQYYCPDQA-IYBDPMFKSA-N 2 1 348.597 3.134 20 0 EGADMP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000743869407 576817922 /nfs/dbraw/zinc/81/79/22/576817922.db2.gz RFUHXMVEBOBONW-PMACEKPBSA-N 2 1 336.495 3.171 20 0 EGADMP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000743869407 576817923 /nfs/dbraw/zinc/81/79/23/576817923.db2.gz RFUHXMVEBOBONW-PMACEKPBSA-N 2 1 336.495 3.171 20 0 EGADMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000743869412 576817981 /nfs/dbraw/zinc/81/79/81/576817981.db2.gz RFUHXMVEBOBONW-WOJBJXKFSA-N 2 1 336.495 3.171 20 0 EGADMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000743869412 576817982 /nfs/dbraw/zinc/81/79/82/576817982.db2.gz RFUHXMVEBOBONW-WOJBJXKFSA-N 2 1 336.495 3.171 20 0 EGADMP CC[NH+]1CCN(c2ccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2F)CC1 ZINC000877767460 1299544385 /nfs/dbraw/zinc/54/43/85/1299544385.db2.gz KFCCWKSWEKNJTK-QZTJIDSGSA-N 2 1 346.494 3.006 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000769920975 1303194306 /nfs/dbraw/zinc/19/43/06/1303194306.db2.gz SHBSNUMUGPIWML-DLBZAZTESA-N 2 1 339.524 3.144 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000042207509 1291434742 /nfs/dbraw/zinc/43/47/42/1291434742.db2.gz DSULOPFSHCNOLJ-UHFFFAOYSA-N 2 1 342.487 3.295 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000048710930 1291616886 /nfs/dbraw/zinc/61/68/86/1291616886.db2.gz XRPISNRSNQHLRJ-UHFFFAOYSA-N 2 1 342.487 3.295 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000052210113 1291698547 /nfs/dbraw/zinc/69/85/47/1291698547.db2.gz VOJCGZHEAOJGJX-LJQANCHMSA-N 2 1 340.458 3.442 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000063917549 1292031547 /nfs/dbraw/zinc/03/15/47/1292031547.db2.gz XYHRWOICFRNVDV-GOSISDBHSA-N 2 1 339.483 3.482 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000063917549 1292031556 /nfs/dbraw/zinc/03/15/56/1292031556.db2.gz XYHRWOICFRNVDV-GOSISDBHSA-N 2 1 339.483 3.482 20 0 EGADMP O[C@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1)C[NH+]1CCCC1 ZINC000065274763 1292077966 /nfs/dbraw/zinc/07/79/66/1292077966.db2.gz WRTJTGAPKOLVNI-MRXNPFEDSA-N 2 1 334.460 3.101 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000067223222 1292154299 /nfs/dbraw/zinc/15/42/99/1292154299.db2.gz HVTPHMMFQNVCDH-AWEZNQCLSA-N 2 1 328.403 3.118 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(F)cc3)c2)CCO1 ZINC000067976728 1292180362 /nfs/dbraw/zinc/18/03/62/1292180362.db2.gz RFCKAZMXPHYNBP-MRXNPFEDSA-N 2 1 328.431 3.336 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(F)cc3)c2)CCO1 ZINC000067976728 1292180365 /nfs/dbraw/zinc/18/03/65/1292180365.db2.gz RFCKAZMXPHYNBP-MRXNPFEDSA-N 2 1 328.431 3.336 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000069160387 1292233008 /nfs/dbraw/zinc/23/30/08/1292233008.db2.gz VSHQXSDGKKNBJW-KRWDZBQOSA-N 2 1 344.478 3.450 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000069160387 1292233017 /nfs/dbraw/zinc/23/30/17/1292233017.db2.gz VSHQXSDGKKNBJW-KRWDZBQOSA-N 2 1 344.478 3.450 20 0 EGADMP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(Cl)s2)c2ccccc2)CC1 ZINC000069171116 1292234371 /nfs/dbraw/zinc/23/43/71/1292234371.db2.gz HSLXXOQAFXDBIT-KRWDZBQOSA-N 2 1 349.931 3.480 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000069751990 1292250671 /nfs/dbraw/zinc/25/06/71/1292250671.db2.gz LHITVFKXTGMQQE-QGZVFWFLSA-N 2 1 340.515 3.370 20 0 EGADMP Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000072720193 1292288839 /nfs/dbraw/zinc/28/88/39/1292288839.db2.gz VXRFLUCEYPVLJM-KRWDZBQOSA-N 2 1 347.478 3.271 20 0 EGADMP CCOc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1OC(F)F ZINC000075780749 1292411446 /nfs/dbraw/zinc/41/14/46/1292411446.db2.gz JOCKCSLRPXIZLK-ZDUSSCGKSA-N 2 1 340.414 3.261 20 0 EGADMP CCOc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1OC(F)F ZINC000075780749 1292411451 /nfs/dbraw/zinc/41/14/51/1292411451.db2.gz JOCKCSLRPXIZLK-ZDUSSCGKSA-N 2 1 340.414 3.261 20 0 EGADMP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1SC(F)(F)F ZINC000843348021 1321503285 /nfs/dbraw/zinc/50/32/85/1321503285.db2.gz ZZEHBMBVFLJBGZ-LBPRGKRZSA-N 2 1 334.407 3.478 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1SC(F)(F)F ZINC000843348021 1321503288 /nfs/dbraw/zinc/50/32/88/1321503288.db2.gz ZZEHBMBVFLJBGZ-LBPRGKRZSA-N 2 1 334.407 3.478 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cn1 ZINC000095976400 1292946240 /nfs/dbraw/zinc/94/62/40/1292946240.db2.gz WDIJUXAZFQWXIM-WDSOQIARSA-N 2 1 338.455 3.013 20 0 EGADMP COc1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1OC(C)C ZINC000105443697 1293037401 /nfs/dbraw/zinc/03/74/01/1293037401.db2.gz JWKZGJLWOYJEPR-OAHLLOKOSA-N 2 1 331.460 3.413 20 0 EGADMP CN(C)c1ccc(N2CCC([NH2+]CCCC[N@@H+](C)C3CC3)CC2)cc1 ZINC000834908082 1293173097 /nfs/dbraw/zinc/17/30/97/1293173097.db2.gz BBZZQBXGHNKWGN-UHFFFAOYSA-N 2 1 344.547 3.185 20 0 EGADMP Cn1nc(-c2ccccc2)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1Cl ZINC000116334439 1293203392 /nfs/dbraw/zinc/20/33/92/1293203392.db2.gz VTGOHARVBLOECC-AWEZNQCLSA-N 2 1 344.890 3.314 20 0 EGADMP Cn1nc(-c2ccccc2)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1Cl ZINC000116334439 1293203399 /nfs/dbraw/zinc/20/33/99/1293203399.db2.gz VTGOHARVBLOECC-AWEZNQCLSA-N 2 1 344.890 3.314 20 0 EGADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000122052517 1293400589 /nfs/dbraw/zinc/40/05/89/1293400589.db2.gz ZGIAAZQUPVUCKC-UHFFFAOYSA-N 2 1 345.940 3.367 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000122052517 1293400592 /nfs/dbraw/zinc/40/05/92/1293400592.db2.gz ZGIAAZQUPVUCKC-UHFFFAOYSA-N 2 1 345.940 3.367 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[S@](=O)C(C)(C)C)cc1 ZINC000127406258 1293562676 /nfs/dbraw/zinc/56/26/76/1293562676.db2.gz DHHVTWDWKUTZLQ-LFVRLGFBSA-N 2 1 333.501 3.379 20 0 EGADMP c1cc(COc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)ccn1 ZINC000127936059 1293577390 /nfs/dbraw/zinc/57/73/90/1293577390.db2.gz YPMFQOBTCKVBGM-UHFFFAOYSA-N 2 1 337.467 3.377 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000151595908 1293932384 /nfs/dbraw/zinc/93/23/84/1293932384.db2.gz DGMLMOGIKZTVEV-PXNSSMCTSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000151595908 1293932387 /nfs/dbraw/zinc/93/23/87/1293932387.db2.gz DGMLMOGIKZTVEV-PXNSSMCTSA-N 2 1 329.532 3.359 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000153315285 1294009383 /nfs/dbraw/zinc/00/93/83/1294009383.db2.gz QTRDZDBQYSDRQN-NQIIRXRSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CCCCC[NH3+])C1 ZINC000155444234 1294097817 /nfs/dbraw/zinc/09/78/17/1294097817.db2.gz PUFIQLNFRVQZDH-HDICACEKSA-N 2 1 345.531 3.300 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)CCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000155692865 1294110621 /nfs/dbraw/zinc/11/06/21/1294110621.db2.gz UNZBCSFQXRAVLC-MJGOQNOKSA-N 2 1 331.504 3.017 20 0 EGADMP CCn1nccc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000159994991 1294254031 /nfs/dbraw/zinc/25/40/31/1294254031.db2.gz UARZDKCOBYCIKG-QGZVFWFLSA-N 2 1 326.488 3.425 20 0 EGADMP CC[N@H+]1CCC[C@H](CNCc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000236934035 1296210970 /nfs/dbraw/zinc/21/09/70/1296210970.db2.gz PJBHPPSARYUQPU-OAHLLOKOSA-N 2 1 332.879 3.347 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000236934035 1296210982 /nfs/dbraw/zinc/21/09/82/1296210982.db2.gz PJBHPPSARYUQPU-OAHLLOKOSA-N 2 1 332.879 3.347 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000236934035 1296210996 /nfs/dbraw/zinc/21/09/96/1296210996.db2.gz PJBHPPSARYUQPU-OAHLLOKOSA-N 2 1 332.879 3.347 20 0 EGADMP C[C@@H]1C[C@H](NCC(C)(C)C[NH+](C)Cc2ccccc2)C[N@H+]1C1CC1 ZINC000237592056 1296251566 /nfs/dbraw/zinc/25/15/66/1296251566.db2.gz UUIFRTSUGGDXND-MJGOQNOKSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000237592056 1296251575 /nfs/dbraw/zinc/25/15/75/1296251575.db2.gz UUIFRTSUGGDXND-MJGOQNOKSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000237592056 1296251585 /nfs/dbraw/zinc/25/15/85/1296251585.db2.gz UUIFRTSUGGDXND-MJGOQNOKSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CN1C1CC1 ZINC000237592056 1296251591 /nfs/dbraw/zinc/25/15/91/1296251591.db2.gz UUIFRTSUGGDXND-MJGOQNOKSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CN1C1CC1 ZINC000237592056 1296251602 /nfs/dbraw/zinc/25/16/02/1296251602.db2.gz UUIFRTSUGGDXND-MJGOQNOKSA-N 2 1 329.532 3.359 20 0 EGADMP CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247003566 1296380362 /nfs/dbraw/zinc/38/03/62/1296380362.db2.gz JYYALEWMALVCTB-BRWVUGGUSA-N 2 1 341.540 3.390 20 0 EGADMP CCCCC[C@H](C)NC(=O)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248547845 1296419553 /nfs/dbraw/zinc/41/95/53/1296419553.db2.gz FHYWCUWUBLJLGP-KSZLIROESA-N 2 1 337.552 3.314 20 0 EGADMP CCCCC[C@H](C)NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248547845 1296419558 /nfs/dbraw/zinc/41/95/58/1296419558.db2.gz FHYWCUWUBLJLGP-KSZLIROESA-N 2 1 337.552 3.314 20 0 EGADMP CCCCC[C@H](C)NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248547845 1296419566 /nfs/dbraw/zinc/41/95/66/1296419566.db2.gz FHYWCUWUBLJLGP-KSZLIROESA-N 2 1 337.552 3.314 20 0 EGADMP CC1(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)OCCO1 ZINC000248894005 1296432077 /nfs/dbraw/zinc/43/20/77/1296432077.db2.gz UKKGWCRPBCYURK-XUVXKRRUSA-N 2 1 344.499 3.030 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261542732 1296593546 /nfs/dbraw/zinc/59/35/46/1296593546.db2.gz CKMMASMPBZGEJF-IVAOSVALSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261542732 1296593557 /nfs/dbraw/zinc/59/35/57/1296593557.db2.gz CKMMASMPBZGEJF-IVAOSVALSA-N 2 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261542732 1296593566 /nfs/dbraw/zinc/59/35/66/1296593566.db2.gz CKMMASMPBZGEJF-IVAOSVALSA-N 2 1 327.516 3.019 20 0 EGADMP CC1(C)CCc2onc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c2C1 ZINC000872144065 1296764670 /nfs/dbraw/zinc/76/46/70/1296764670.db2.gz BDJYVEHRLTUGPP-MRXNPFEDSA-N 2 1 331.504 3.401 20 0 EGADMP CC(C)(C)c1noc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156420 1296776060 /nfs/dbraw/zinc/77/60/60/1296776060.db2.gz JGVQGIZEZPUQCN-HOCLYGCPSA-N 2 1 334.508 3.487 20 0 EGADMP CC(C)(C)c1noc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156420 1296776073 /nfs/dbraw/zinc/77/60/73/1296776073.db2.gz JGVQGIZEZPUQCN-HOCLYGCPSA-N 2 1 334.508 3.487 20 0 EGADMP CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857188796 1328524299 /nfs/dbraw/zinc/52/42/99/1328524299.db2.gz RYCCRFRPFLDELN-LJQANCHMSA-N 2 1 343.515 3.052 20 0 EGADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000305110717 1296980267 /nfs/dbraw/zinc/98/02/67/1296980267.db2.gz CVXHOKCMDCIHBY-ROUUACIJSA-N 2 1 340.870 3.337 20 0 EGADMP C[C@H](C[C@H](O)c1ccco1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000305742237 1297039390 /nfs/dbraw/zinc/03/93/90/1297039390.db2.gz NVWDOINUCVWRGY-XLIONFOSSA-N 2 1 342.483 3.388 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000309966914 1297081012 /nfs/dbraw/zinc/08/10/12/1297081012.db2.gz FYWBOHHZHBOZCZ-KRWDZBQOSA-N 2 1 347.503 3.108 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000309966914 1297081026 /nfs/dbraw/zinc/08/10/26/1297081026.db2.gz FYWBOHHZHBOZCZ-KRWDZBQOSA-N 2 1 347.503 3.108 20 0 EGADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000310917510 1297103838 /nfs/dbraw/zinc/10/38/38/1297103838.db2.gz QPAQQGWEUZEPJJ-SFTDATJTSA-N 2 1 340.515 3.410 20 0 EGADMP C[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H](c2ccccc2)O1 ZINC000873204000 1297349262 /nfs/dbraw/zinc/34/92/62/1297349262.db2.gz VZCKMPDJXKATET-KBXCAEBGSA-N 2 1 328.481 3.356 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H](c2ccccc2)O1 ZINC000873204000 1297349274 /nfs/dbraw/zinc/34/92/74/1297349274.db2.gz VZCKMPDJXKATET-KBXCAEBGSA-N 2 1 328.481 3.356 20 0 EGADMP Fc1ccc(O[C@H]2CC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)cc1 ZINC000873228408 1297371519 /nfs/dbraw/zinc/37/15/19/1297371519.db2.gz TUWVGNDKORJTFI-INIZCTEOSA-N 2 1 332.444 3.186 20 0 EGADMP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873263550 1297396804 /nfs/dbraw/zinc/39/68/04/1297396804.db2.gz JIUMCDODCZBRPN-URZNZNTCSA-N 3 1 327.516 3.017 20 0 EGADMP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000873263550 1297396817 /nfs/dbraw/zinc/39/68/17/1297396817.db2.gz JIUMCDODCZBRPN-URZNZNTCSA-N 2 1 327.516 3.017 20 0 EGADMP C[C@@H](CC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000379615035 1297535213 /nfs/dbraw/zinc/53/52/13/1297535213.db2.gz AAYUNSNICUCMON-MGPUTAFESA-N 2 1 348.437 3.498 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000379899366 1297541964 /nfs/dbraw/zinc/54/19/64/1297541964.db2.gz IFSFEPGSOJFWOX-ZACQAIPSSA-N 2 1 339.524 3.286 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000379899364 1297542188 /nfs/dbraw/zinc/54/21/88/1297542188.db2.gz IFSFEPGSOJFWOX-IKGGRYGDSA-N 2 1 339.524 3.286 20 0 EGADMP C[N@H+](CC[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000382381561 1297559202 /nfs/dbraw/zinc/55/92/02/1297559202.db2.gz BPBZASDRLJJVMB-WBVHZDCISA-N 2 1 339.524 3.144 20 0 EGADMP C[N@@H+](CC[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000382381561 1297559206 /nfs/dbraw/zinc/55/92/06/1297559206.db2.gz BPBZASDRLJJVMB-WBVHZDCISA-N 2 1 339.524 3.144 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000390705059 1297630544 /nfs/dbraw/zinc/63/05/44/1297630544.db2.gz GBIIGOXJXLCHEJ-KRWDZBQOSA-N 2 1 347.503 3.106 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000390705059 1297630554 /nfs/dbraw/zinc/63/05/54/1297630554.db2.gz GBIIGOXJXLCHEJ-KRWDZBQOSA-N 2 1 347.503 3.106 20 0 EGADMP CC(C)(C)[NH2+]CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000391120663 1297638051 /nfs/dbraw/zinc/63/80/51/1297638051.db2.gz JVLAGPVFCKQBTA-SFHVURJKSA-N 2 1 345.531 3.182 20 0 EGADMP CC(C)n1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000398040658 1297712065 /nfs/dbraw/zinc/71/20/65/1297712065.db2.gz RTUIQSMXAPFDJH-XLIONFOSSA-N 2 1 326.488 3.464 20 0 EGADMP CC(C)n1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000398040658 1297712070 /nfs/dbraw/zinc/71/20/70/1297712070.db2.gz RTUIQSMXAPFDJH-XLIONFOSSA-N 2 1 326.488 3.464 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C12CCC2 ZINC000404542247 1297755482 /nfs/dbraw/zinc/75/54/82/1297755482.db2.gz RGVMZHXESSLASH-VVLHAWIVSA-N 2 1 349.519 3.039 20 0 EGADMP CC[NH+](CC)C[C@@H](C)[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695206299 1298159135 /nfs/dbraw/zinc/15/91/35/1298159135.db2.gz RAOJWGIRNFFLDY-MRXNPFEDSA-N 2 1 341.540 3.344 20 0 EGADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000699211204 1298169589 /nfs/dbraw/zinc/16/95/89/1298169589.db2.gz QIBIZLBNNYJTEJ-OTYNDTSQSA-N 2 1 327.516 3.113 20 0 EGADMP COc1cncc(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000700071431 1298173775 /nfs/dbraw/zinc/17/37/75/1298173775.db2.gz HGWXCGYFTXQQCD-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP COc1cncc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000700071431 1298173779 /nfs/dbraw/zinc/17/37/79/1298173779.db2.gz HGWXCGYFTXQQCD-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP COc1cncc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000700071431 1298173785 /nfs/dbraw/zinc/17/37/85/1298173785.db2.gz HGWXCGYFTXQQCD-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP CO[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C12CCC2 ZINC000708524458 1298240142 /nfs/dbraw/zinc/24/01/42/1298240142.db2.gz SLACIYOIXNTTOI-BTHPGYMESA-N 2 1 328.500 3.302 20 0 EGADMP [NH3+]CCCCCC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000709627920 1298249797 /nfs/dbraw/zinc/24/97/97/1298249797.db2.gz KEZRENNHVYHZGO-LJQANCHMSA-N 2 1 331.504 3.067 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOC(F)(F)F ZINC000713415576 1298269949 /nfs/dbraw/zinc/26/99/49/1298269949.db2.gz KRHMDXBPTGYLTE-GOEBONIOSA-N 2 1 330.394 3.413 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOC(F)(F)F ZINC000713415576 1298269960 /nfs/dbraw/zinc/26/99/60/1298269960.db2.gz KRHMDXBPTGYLTE-GOEBONIOSA-N 2 1 330.394 3.413 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715394504 1298279442 /nfs/dbraw/zinc/27/94/42/1298279442.db2.gz OEWCVLYAHPVEEZ-DBOLQNLKSA-N 2 1 328.500 3.444 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(Br)c(F)c2F)C[C@H]1CC[NH3+] ZINC000723901159 1298343977 /nfs/dbraw/zinc/34/39/77/1298343977.db2.gz OHEAEFIOQFEWLJ-NXEZZACHSA-N 2 1 333.220 3.144 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)c(F)c2F)C[C@H]1CC[NH3+] ZINC000723901159 1298343992 /nfs/dbraw/zinc/34/39/92/1298343992.db2.gz OHEAEFIOQFEWLJ-NXEZZACHSA-N 2 1 333.220 3.144 20 0 EGADMP CO[C@@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)C(F)(F)F ZINC000747099737 1298725863 /nfs/dbraw/zinc/72/58/63/1298725863.db2.gz JYSTXZMXPSSCQY-HNNXBMFYSA-N 2 1 332.410 3.312 20 0 EGADMP CO[C@@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)C(F)(F)F ZINC000747099737 1298725872 /nfs/dbraw/zinc/72/58/72/1298725872.db2.gz JYSTXZMXPSSCQY-HNNXBMFYSA-N 2 1 332.410 3.312 20 0 EGADMP C[N@H+]1CCC[C@@H](CNCc2ccc(Cl)nn2)[C@H]1c1cccs1 ZINC000877055054 1299134355 /nfs/dbraw/zinc/13/43/55/1299134355.db2.gz OBENPRTWXYEZMP-LRDDRELGSA-N 2 1 336.892 3.364 20 0 EGADMP CN1CCC[C@@H](C[NH2+]Cc2ccc(Cl)nn2)[C@H]1c1cccs1 ZINC000877055054 1299134358 /nfs/dbraw/zinc/13/43/58/1299134358.db2.gz OBENPRTWXYEZMP-LRDDRELGSA-N 2 1 336.892 3.364 20 0 EGADMP C[NH+](C)C1CCN(c2ccc([NH2+]CCC3CCOCC3)cc2)CC1 ZINC000877131291 1299172917 /nfs/dbraw/zinc/17/29/17/1299172917.db2.gz YJOFHLATFAFDHP-UHFFFAOYSA-N 2 1 331.504 3.446 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](CC2(CNC(=O)OC(C)(C)C)CCC2)CC1 ZINC000877479912 1299332720 /nfs/dbraw/zinc/33/27/20/1299332720.db2.gz YKBIPEINIWHNII-INIZCTEOSA-N 2 1 339.524 3.098 20 0 EGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000877527516 1299369593 /nfs/dbraw/zinc/36/95/93/1299369593.db2.gz PINCZMVVZJUWEN-UHFFFAOYSA-N 2 1 343.515 3.230 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000877527516 1299369606 /nfs/dbraw/zinc/36/96/06/1299369606.db2.gz PINCZMVVZJUWEN-UHFFFAOYSA-N 2 1 343.515 3.230 20 0 EGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C=C1CCCC1 ZINC000750850977 1299464036 /nfs/dbraw/zinc/46/40/36/1299464036.db2.gz DCEWISUTLAUDMT-UHFFFAOYSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)CC[NH+]1CCC(CNc2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000751113533 1299512048 /nfs/dbraw/zinc/51/20/48/1299512048.db2.gz WKFVMJPWOKMGCW-UHFFFAOYSA-N 2 1 331.508 3.247 20 0 EGADMP CCSc1cccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC000877745925 1299523951 /nfs/dbraw/zinc/52/39/51/1299523951.db2.gz DJOASCHUBXUIJT-UHFFFAOYSA-N 2 1 333.545 3.010 20 0 EGADMP COC(=O)c1ccc(OC)c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000878046825 1299723753 /nfs/dbraw/zinc/72/37/53/1299723753.db2.gz BJXDCDNEDROZKU-UHFFFAOYSA-N 2 1 348.487 3.034 20 0 EGADMP C[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)[C@@H]1CCCO1 ZINC000753724964 1300011302 /nfs/dbraw/zinc/01/13/02/1300011302.db2.gz LZUXXCSYENNWKW-JXFKEZNVSA-N 2 1 331.504 3.444 20 0 EGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000879208614 1300429188 /nfs/dbraw/zinc/42/91/88/1300429188.db2.gz BUEVUPJZIPRGGF-SFHVURJKSA-N 2 1 336.520 3.055 20 0 EGADMP COCC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CCOCC1 ZINC000879710679 1300690814 /nfs/dbraw/zinc/69/08/14/1300690814.db2.gz HDIFWQLTYGFCCN-UHFFFAOYSA-N 2 1 346.515 3.300 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cc(C)cnc1=S ZINC000758315238 1300850797 /nfs/dbraw/zinc/85/07/97/1300850797.db2.gz BLAIXPQLZKVXEY-UHFFFAOYSA-N 2 1 330.501 3.462 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cc(C)cnc1=S ZINC000758315238 1300850809 /nfs/dbraw/zinc/85/08/09/1300850809.db2.gz BLAIXPQLZKVXEY-UHFFFAOYSA-N 2 1 330.501 3.462 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)c1c(F)cccc1F ZINC000880517029 1301145888 /nfs/dbraw/zinc/14/58/88/1301145888.db2.gz IFCCHJQHXIQJRN-QGZVFWFLSA-N 2 1 326.431 3.196 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761202832 1301420317 /nfs/dbraw/zinc/42/03/17/1301420317.db2.gz OAACODSOEDEFIM-HNNXBMFYSA-N 2 1 327.513 3.096 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761202832 1301420327 /nfs/dbraw/zinc/42/03/27/1301420327.db2.gz OAACODSOEDEFIM-HNNXBMFYSA-N 2 1 327.513 3.096 20 0 EGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761202832 1301420306 /nfs/dbraw/zinc/42/03/06/1301420306.db2.gz OAACODSOEDEFIM-HNNXBMFYSA-N 2 1 327.513 3.096 20 0 EGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761202832 1301420311 /nfs/dbraw/zinc/42/03/11/1301420311.db2.gz OAACODSOEDEFIM-HNNXBMFYSA-N 2 1 327.513 3.096 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000762649472 1301721340 /nfs/dbraw/zinc/72/13/40/1301721340.db2.gz MMXDMPYLXIRNII-ZWKOTPCHSA-N 2 1 342.487 3.024 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000762649472 1301721345 /nfs/dbraw/zinc/72/13/45/1301721345.db2.gz MMXDMPYLXIRNII-ZWKOTPCHSA-N 2 1 342.487 3.024 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000762925168 1301785502 /nfs/dbraw/zinc/78/55/02/1301785502.db2.gz DBWVEDAGUCJDGM-GOSISDBHSA-N 2 1 326.488 3.409 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000762925168 1301785511 /nfs/dbraw/zinc/78/55/11/1301785511.db2.gz DBWVEDAGUCJDGM-GOSISDBHSA-N 2 1 326.488 3.409 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000765349798 1302252022 /nfs/dbraw/zinc/25/20/22/1302252022.db2.gz NOHQOHFCKDMBKE-KCXAZCMYSA-N 2 1 330.394 3.059 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)[C@H](C)C1 ZINC000765750648 1302318727 /nfs/dbraw/zinc/31/87/27/1302318727.db2.gz CEVBREXAPUWFHJ-WBVHZDCISA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H](CSC(C)(C)C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000766134656 1302398297 /nfs/dbraw/zinc/39/82/97/1302398297.db2.gz GNUNWSFMGTWFAW-QFBILLFUSA-N 2 1 336.545 3.133 20 0 EGADMP C[C@@H](CSC(C)(C)C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000766134656 1302398307 /nfs/dbraw/zinc/39/83/07/1302398307.db2.gz GNUNWSFMGTWFAW-QFBILLFUSA-N 2 1 336.545 3.133 20 0 EGADMP CN(C)c1[nH+]cc(CNc2ccc(C[NH+]3CCCCC3)cc2)n1C ZINC000883403811 1302434243 /nfs/dbraw/zinc/43/42/43/1302434243.db2.gz FIIWIKSVLLIHEX-UHFFFAOYSA-N 2 1 327.476 3.084 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3nc(Cl)c4ccccc43)C2)CC1 ZINC000769651043 1303153148 /nfs/dbraw/zinc/15/31/48/1303153148.db2.gz AIRGWDLXWIXFOT-HNNXBMFYSA-N 2 1 332.879 3.311 20 0 EGADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)CC(C)C ZINC000885921314 1303277010 /nfs/dbraw/zinc/27/70/10/1303277010.db2.gz YXQOLNXRBZMRRZ-MSOLQXFVSA-N 2 1 326.525 3.061 20 0 EGADMP C[NH+](C[C@@H]1CCCCO1)[C@H]1CC[C@H]([N@@H+](C)C[C@H]2CCCCO2)CC1 ZINC000886392111 1303455388 /nfs/dbraw/zinc/45/53/88/1303455388.db2.gz VNOAILSQXOCUMV-HKJRMUSSSA-N 2 1 338.536 3.299 20 0 EGADMP C[NH+](C[C@H]1CCCCO1)[C@H]1CC[C@H]([N@H+](C)C[C@@H]2CCCCO2)CC1 ZINC000886392111 1303455390 /nfs/dbraw/zinc/45/53/90/1303455390.db2.gz VNOAILSQXOCUMV-HKJRMUSSSA-N 2 1 338.536 3.299 20 0 EGADMP C[NH+](C[C@H]1CCCCO1)[C@H]1CC[C@H]([N@@H+](C)C[C@@H]2CCCCO2)CC1 ZINC000886392111 1303455394 /nfs/dbraw/zinc/45/53/94/1303455394.db2.gz VNOAILSQXOCUMV-HKJRMUSSSA-N 2 1 338.536 3.299 20 0 EGADMP Cc1[nH]c(C2CC[NH+](CC(=O)N(C)[C@H](C)CC(C)C)CC2)[nH+]c1C ZINC000886666652 1303546790 /nfs/dbraw/zinc/54/67/90/1303546790.db2.gz XENPOLVUZIUXNM-CQSZACIVSA-N 2 1 334.508 3.099 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)N(C)C3CCCCC3)CC2)[nH+]c1C ZINC000886669830 1303548836 /nfs/dbraw/zinc/54/88/36/1303548836.db2.gz FPMNZSRLSLNPAF-INIZCTEOSA-N 2 1 346.519 3.386 20 0 EGADMP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870011 1303620764 /nfs/dbraw/zinc/62/07/64/1303620764.db2.gz NKOWWQAMMBNXEA-UEXGIBASSA-N 2 1 343.515 3.026 20 0 EGADMP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870011 1303620766 /nfs/dbraw/zinc/62/07/66/1303620766.db2.gz NKOWWQAMMBNXEA-UEXGIBASSA-N 2 1 343.515 3.026 20 0 EGADMP COc1ccc(-c2cc(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)on2)cc1 ZINC000886874609 1303622759 /nfs/dbraw/zinc/62/27/59/1303622759.db2.gz RNPSABOPKZNYRW-FQEVSTJZSA-N 2 1 341.455 3.316 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)on2)cc1 ZINC000886874609 1303622767 /nfs/dbraw/zinc/62/27/67/1303622767.db2.gz RNPSABOPKZNYRW-FQEVSTJZSA-N 2 1 341.455 3.316 20 0 EGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)C1CCCCC1 ZINC000775381196 1303951612 /nfs/dbraw/zinc/95/16/12/1303951612.db2.gz ZXIOCFZUWXWFMD-VQHPVUNQSA-N 2 1 328.591 3.466 20 0 EGADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000776851241 1304211696 /nfs/dbraw/zinc/21/16/96/1304211696.db2.gz JYLRTOLQJGLNBV-NCYKPQTJSA-N 2 1 328.500 3.101 20 0 EGADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000776851241 1304211700 /nfs/dbraw/zinc/21/17/00/1304211700.db2.gz JYLRTOLQJGLNBV-NCYKPQTJSA-N 2 1 328.500 3.101 20 0 EGADMP C[C@@H]1C[C@@H](Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000777598222 1304322815 /nfs/dbraw/zinc/32/28/15/1304322815.db2.gz MIZPOSNBWGYSSQ-MJGOQNOKSA-N 2 1 331.504 3.446 20 0 EGADMP C[C@H]1C[C@@H](Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC[N@H+]1C ZINC000777697661 1304336226 /nfs/dbraw/zinc/33/62/26/1304336226.db2.gz YNPFKBFULLVSOC-PXNSSMCTSA-N 2 1 344.547 3.359 20 0 EGADMP C[C@H]1C[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CC[N@@H+]1C ZINC000777697661 1304336232 /nfs/dbraw/zinc/33/62/32/1304336232.db2.gz YNPFKBFULLVSOC-PXNSSMCTSA-N 3 1 344.547 3.359 20 0 EGADMP C[C@H]1C[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CC[N@H+]1C ZINC000777697661 1304336238 /nfs/dbraw/zinc/33/62/38/1304336238.db2.gz YNPFKBFULLVSOC-PXNSSMCTSA-N 3 1 344.547 3.359 20 0 EGADMP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000779056074 1304523781 /nfs/dbraw/zinc/52/37/81/1304523781.db2.gz VLIZLPYNVWFPKV-AOIWGVFYSA-N 2 1 334.529 3.256 20 0 EGADMP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000779056074 1304523783 /nfs/dbraw/zinc/52/37/83/1304523783.db2.gz VLIZLPYNVWFPKV-AOIWGVFYSA-N 2 1 334.529 3.256 20 0 EGADMP C[NH+]1CCC(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000892160489 1305271990 /nfs/dbraw/zinc/27/19/90/1305271990.db2.gz DJLCVQFPAMZHIB-UHFFFAOYSA-N 2 1 331.287 3.130 20 0 EGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000892179989 1305275457 /nfs/dbraw/zinc/27/54/57/1305275457.db2.gz MYPLPXYWFWXCOU-GOSISDBHSA-N 2 1 326.488 3.151 20 0 EGADMP C[N@@H+](Cc1ccccc1C[NH2+]C1CCS(=O)CC1)C1CCCCC1 ZINC000892654119 1305490892 /nfs/dbraw/zinc/49/08/92/1305490892.db2.gz OFYWIKFSVIZHJM-UHFFFAOYSA-N 2 1 348.556 3.452 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000893103728 1305708395 /nfs/dbraw/zinc/70/83/95/1305708395.db2.gz SPXAUMONXPAATC-BAIPTCSOSA-N 2 1 341.543 3.358 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893103728 1305708406 /nfs/dbraw/zinc/70/84/06/1305708406.db2.gz SPXAUMONXPAATC-BAIPTCSOSA-N 2 1 341.543 3.358 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893103728 1305708416 /nfs/dbraw/zinc/70/84/16/1305708416.db2.gz SPXAUMONXPAATC-BAIPTCSOSA-N 2 1 341.543 3.358 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000893103728 1305708427 /nfs/dbraw/zinc/70/84/27/1305708427.db2.gz SPXAUMONXPAATC-BAIPTCSOSA-N 3 1 341.543 3.358 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000893103728 1305708436 /nfs/dbraw/zinc/70/84/36/1305708436.db2.gz SPXAUMONXPAATC-BAIPTCSOSA-N 3 1 341.543 3.358 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893103728 1305708443 /nfs/dbraw/zinc/70/84/43/1305708443.db2.gz SPXAUMONXPAATC-BAIPTCSOSA-N 3 1 341.543 3.358 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893103728 1305708454 /nfs/dbraw/zinc/70/84/54/1305708454.db2.gz SPXAUMONXPAATC-BAIPTCSOSA-N 3 1 341.543 3.358 20 0 EGADMP C[NH+]1CCC(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)CC1 ZINC000788488642 1305952896 /nfs/dbraw/zinc/95/28/96/1305952896.db2.gz RMQYERCSCBHMHO-IBGZPJMESA-N 2 1 328.456 3.157 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000788587941 1305975797 /nfs/dbraw/zinc/97/57/97/1305975797.db2.gz KVESZERXNHOTEC-ULQDDVLXSA-N 2 1 341.540 3.342 20 0 EGADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000894523562 1308936769 /nfs/dbraw/zinc/93/67/69/1308936769.db2.gz ZPAXTHCTIDWOJI-UHFFFAOYSA-N 2 1 349.862 3.061 20 0 EGADMP CN(c1ccccc1C[N@H+]1CCC[C@@H](CF)C1)C1CC[NH+](C)CC1 ZINC000895546285 1309394989 /nfs/dbraw/zinc/39/49/89/1309394989.db2.gz ZBUYGZSSRNSNNI-KRWDZBQOSA-N 2 1 333.495 3.399 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000896407606 1309846137 /nfs/dbraw/zinc/84/61/37/1309846137.db2.gz SOYDWESXAUFSGX-VQIMIIECSA-N 2 1 343.515 3.201 20 0 EGADMP Clc1cccc(Cl)c1CCC[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000795927839 1309863310 /nfs/dbraw/zinc/86/33/10/1309863310.db2.gz QAQIEGHPJBOSKQ-KGLIPLIRSA-N 2 1 343.298 3.379 20 0 EGADMP Clc1cccc(Cl)c1CCC[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000795927839 1309863314 /nfs/dbraw/zinc/86/33/14/1309863314.db2.gz QAQIEGHPJBOSKQ-KGLIPLIRSA-N 2 1 343.298 3.379 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+]2C(C)(C)C)[C@H]1c1cccs1 ZINC000896642938 1309951319 /nfs/dbraw/zinc/95/13/19/1309951319.db2.gz FMYRBDNFRSIKGQ-INMHGKMJSA-N 2 1 349.544 3.120 20 0 EGADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)[C@H]1c1cccs1 ZINC000896642938 1309951323 /nfs/dbraw/zinc/95/13/23/1309951323.db2.gz FMYRBDNFRSIKGQ-INMHGKMJSA-N 2 1 349.544 3.120 20 0 EGADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)[C@H]1c1cccs1 ZINC000896642938 1309951330 /nfs/dbraw/zinc/95/13/30/1309951330.db2.gz FMYRBDNFRSIKGQ-INMHGKMJSA-N 2 1 349.544 3.120 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)nc(Cl)c2)[C@@H](C)C1 ZINC000797600437 1310219209 /nfs/dbraw/zinc/21/92/09/1310219209.db2.gz UKPJZCZMCSFDOS-YOEHRIQHSA-N 2 1 339.911 3.270 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)nc(Cl)c2)[C@@H](C)C1 ZINC000797600437 1310219213 /nfs/dbraw/zinc/21/92/13/1310219213.db2.gz UKPJZCZMCSFDOS-YOEHRIQHSA-N 2 1 339.911 3.270 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](O)c2ccco2)CC1 ZINC000798180424 1310311043 /nfs/dbraw/zinc/31/10/43/1310311043.db2.gz FYFQWAHRJAXTHL-ACBHZAAOSA-N 2 1 328.456 3.346 20 0 EGADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178944 1310499906 /nfs/dbraw/zinc/49/99/06/1310499906.db2.gz SPEJUCUAGYWREN-OAHLLOKOSA-N 2 1 349.906 3.475 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000898392387 1310707358 /nfs/dbraw/zinc/70/73/58/1310707358.db2.gz RXLNNGZIGVOJKC-DGEVVOEJSA-N 2 1 336.479 3.287 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000898392387 1310707366 /nfs/dbraw/zinc/70/73/66/1310707366.db2.gz RXLNNGZIGVOJKC-DGEVVOEJSA-N 2 1 336.479 3.287 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857262057 1328525474 /nfs/dbraw/zinc/52/54/74/1328525474.db2.gz AQPRYIYQANBGTL-FXAWDEMLSA-N 2 1 345.531 3.346 20 0 EGADMP CCC[NH+](CC)C[C@H](C)NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857262057 1328525475 /nfs/dbraw/zinc/52/54/75/1328525475.db2.gz AQPRYIYQANBGTL-FXAWDEMLSA-N 2 1 345.531 3.346 20 0 EGADMP CCC[NH+](CC)C[C@H](C)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857262057 1328525476 /nfs/dbraw/zinc/52/54/76/1328525476.db2.gz AQPRYIYQANBGTL-FXAWDEMLSA-N 2 1 345.531 3.346 20 0 EGADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)N[C@H]3CC[NH+](C(C)(C)C)C3)c2)C1 ZINC000857303679 1328527055 /nfs/dbraw/zinc/52/70/55/1328527055.db2.gz KUYOYEHQEOSONX-OALUTQOASA-N 2 1 343.515 3.098 20 0 EGADMP C[NH+]1CCC[C@H](c2cccc(C(=O)N[C@H]3CC[N@@H+](C(C)(C)C)C3)c2)C1 ZINC000857303679 1328527057 /nfs/dbraw/zinc/52/70/57/1328527057.db2.gz KUYOYEHQEOSONX-OALUTQOASA-N 2 1 343.515 3.098 20 0 EGADMP C[NH+]1CCC[C@H](c2cccc(C(=O)N[C@H]3CC[N@H+](C(C)(C)C)C3)c2)C1 ZINC000857303679 1328527060 /nfs/dbraw/zinc/52/70/60/1328527060.db2.gz KUYOYEHQEOSONX-OALUTQOASA-N 2 1 343.515 3.098 20 0 EGADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NC[C@@H]3CC[NH+]3C(C)(C)C)c2)C1 ZINC000857303647 1328527360 /nfs/dbraw/zinc/52/73/60/1328527360.db2.gz YUEPEKKPTFRQQW-MOPGFXCFSA-N 2 1 343.515 3.098 20 0 EGADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)c2)C1 ZINC000857303647 1328527362 /nfs/dbraw/zinc/52/73/62/1328527362.db2.gz YUEPEKKPTFRQQW-MOPGFXCFSA-N 2 1 343.515 3.098 20 0 EGADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)NC[C@@H]3CC[N@H+]3C(C)(C)C)c2)C1 ZINC000857303647 1328527366 /nfs/dbraw/zinc/52/73/66/1328527366.db2.gz YUEPEKKPTFRQQW-MOPGFXCFSA-N 2 1 343.515 3.098 20 0 EGADMP CN(C)c1ncc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2ccccc21 ZINC000929694315 1328670886 /nfs/dbraw/zinc/67/08/86/1328670886.db2.gz ADEIAXDMPDEWDX-QGZVFWFLSA-N 2 1 338.499 3.219 20 0 EGADMP CN(C)c1ncc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2ccccc21 ZINC000929694315 1328670889 /nfs/dbraw/zinc/67/08/89/1328670889.db2.gz ADEIAXDMPDEWDX-QGZVFWFLSA-N 2 1 338.499 3.219 20 0 EGADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@H]([NH2+]CC2CCCC2)C1 ZINC001019279561 1317144013 /nfs/dbraw/zinc/14/40/13/1317144013.db2.gz HWWJHAIAYLPDPW-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000900230219 1317254764 /nfs/dbraw/zinc/25/47/64/1317254764.db2.gz YWDIRQLEZIVYCN-UXHICEINSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900230219 1317254772 /nfs/dbraw/zinc/25/47/72/1317254772.db2.gz YWDIRQLEZIVYCN-UXHICEINSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900230219 1317254778 /nfs/dbraw/zinc/25/47/78/1317254778.db2.gz YWDIRQLEZIVYCN-UXHICEINSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)C[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000957561590 1317459019 /nfs/dbraw/zinc/45/90/19/1317459019.db2.gz VSUYOQXXLUXKIT-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000957603707 1317491582 /nfs/dbraw/zinc/49/15/82/1317491582.db2.gz VPVABFFEWKRIHC-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000957605934 1317492807 /nfs/dbraw/zinc/49/28/07/1317492807.db2.gz QUEPABOCHSYRSH-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CC)CC2 ZINC000957631685 1317507100 /nfs/dbraw/zinc/50/71/00/1317507100.db2.gz PKSRDRDORJMNOM-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001020029178 1317508577 /nfs/dbraw/zinc/50/85/77/1317508577.db2.gz XARNKPGMIKZGGV-XLNTUCKNSA-N 2 1 343.515 3.202 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000902332218 1317564028 /nfs/dbraw/zinc/56/40/28/1317564028.db2.gz DEJQXOVXBVREKJ-GDBMZVCRSA-N 2 1 349.906 3.203 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001020214327 1317596039 /nfs/dbraw/zinc/59/60/39/1317596039.db2.gz PVACDQSJCZYXPP-LWYYNNOASA-N 2 1 343.515 3.249 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020214044 1317596621 /nfs/dbraw/zinc/59/66/21/1317596621.db2.gz FTMNFUIMUMXHLJ-FHWLQOOXSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001020238771 1317604411 /nfs/dbraw/zinc/60/44/11/1317604411.db2.gz BTLRUFJQPXRFOO-UFYCRDLUSA-N 2 1 347.547 3.377 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001020297312 1317634014 /nfs/dbraw/zinc/63/40/14/1317634014.db2.gz HBWJHZAXIJCZJQ-BNEJOLLZSA-N 2 1 349.906 3.122 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001020302882 1317636051 /nfs/dbraw/zinc/63/60/51/1317636051.db2.gz WHEPBKGVUORXKD-GUDVDZBRSA-N 2 1 335.536 3.068 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000957776592 1317639632 /nfs/dbraw/zinc/63/96/32/1317639632.db2.gz OOHMGLKGICOLSV-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccccc1Cl)C2 ZINC000903115854 1317656443 /nfs/dbraw/zinc/65/64/43/1317656443.db2.gz DOORWOVDAGHMLX-LDFOPSEGSA-N 2 1 336.907 3.470 20 0 EGADMP Fc1cccc(-n2cccn2)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903188066 1317669809 /nfs/dbraw/zinc/66/98/09/1317669809.db2.gz XLBNHHGTYCBCBZ-ZXFUBFMLSA-N 2 1 340.446 3.259 20 0 EGADMP Fc1cccc(-n2cccn2)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903188066 1317669817 /nfs/dbraw/zinc/66/98/17/1317669817.db2.gz XLBNHHGTYCBCBZ-ZXFUBFMLSA-N 2 1 340.446 3.259 20 0 EGADMP Brc1cncc([C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC000903565865 1317708289 /nfs/dbraw/zinc/70/82/89/1317708289.db2.gz FJQZAXZFBUGHTG-MRXNPFEDSA-N 2 1 338.293 3.371 20 0 EGADMP CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000808720209 1317722206 /nfs/dbraw/zinc/72/22/06/1317722206.db2.gz PWZBIPAPYAHDKK-AWEZNQCLSA-N 2 1 346.475 3.122 20 0 EGADMP O=C(c1cc(F)ccc1F)C1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903722171 1317724528 /nfs/dbraw/zinc/72/45/28/1317724528.db2.gz IGMFIZDIDRNLCQ-AWEZNQCLSA-N 2 1 336.426 3.249 20 0 EGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734502 1317726816 /nfs/dbraw/zinc/72/68/16/1317726816.db2.gz RPCYIOHVDGJXJB-YJBOKZPZSA-N 2 1 336.907 3.362 20 0 EGADMP Cc1ccc(C[C@H]2CCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903730393 1317726993 /nfs/dbraw/zinc/72/69/93/1317726993.db2.gz WBVLBAJUAIOTBT-WOJBJXKFSA-N 2 1 328.500 3.161 20 0 EGADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733245 1317727238 /nfs/dbraw/zinc/72/72/38/1317727238.db2.gz JCRFTFCDNWNCRJ-HHXXYDBFSA-N 2 1 332.463 3.162 20 0 EGADMP C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903734714 1317727587 /nfs/dbraw/zinc/72/75/87/1317727587.db2.gz VERBSBRTWYOSOL-ACRUOGEOSA-N 2 1 328.500 3.100 20 0 EGADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)s1 ZINC000903739763 1317728614 /nfs/dbraw/zinc/72/86/14/1317728614.db2.gz OYQUGCYXCXFSNT-CABCVRRESA-N 2 1 337.533 3.165 20 0 EGADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CCC[C@H]1CCC1CCCC1 ZINC000903900112 1317745518 /nfs/dbraw/zinc/74/55/18/1317745518.db2.gz YPUMZZHCMANDDM-ROUUACIJSA-N 2 1 331.508 3.137 20 0 EGADMP CC(C)([NH3+])CC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000903938876 1317751871 /nfs/dbraw/zinc/75/18/71/1317751871.db2.gz OFHMHSUCLKVSNW-UHFFFAOYSA-N 2 1 337.265 3.056 20 0 EGADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903973120 1317759564 /nfs/dbraw/zinc/75/95/64/1317759564.db2.gz ORYYEHGQOANLAP-SLFFLAALSA-N 2 1 328.500 3.379 20 0 EGADMP c1ccc(C2CCC([NH2+][C@H]3C[NH2+]CC4(CCOCC4)C3)CC2)cc1 ZINC000903972997 1317759955 /nfs/dbraw/zinc/75/99/55/1317759955.db2.gz NALBZWIYTMTBOL-SOAGJPPSSA-N 2 1 328.500 3.461 20 0 EGADMP c1c2ccccc2sc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980082 1317760955 /nfs/dbraw/zinc/76/09/55/1317760955.db2.gz GLXOLOGCMIWBFB-HDICACEKSA-N 2 1 341.524 3.302 20 0 EGADMP c1c2ccccc2sc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980082 1317760961 /nfs/dbraw/zinc/76/09/61/1317760961.db2.gz GLXOLOGCMIWBFB-HDICACEKSA-N 2 1 341.524 3.302 20 0 EGADMP c1c2ccccc2sc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903980082 1317760967 /nfs/dbraw/zinc/76/09/67/1317760967.db2.gz GLXOLOGCMIWBFB-HDICACEKSA-N 2 1 341.524 3.302 20 0 EGADMP CC(C)c1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001020587561 1317792163 /nfs/dbraw/zinc/79/21/63/1317792163.db2.gz LAADSQJATRMREJ-WDSOQIARSA-N 2 1 343.515 3.031 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000904374755 1317839006 /nfs/dbraw/zinc/83/90/06/1317839006.db2.gz WGMLKVQFINKXAM-JJRVBVJISA-N 2 1 342.405 3.482 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000904374753 1317839087 /nfs/dbraw/zinc/83/90/87/1317839087.db2.gz WGMLKVQFINKXAM-CKEIUWERSA-N 2 1 342.405 3.482 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1OCc1ccccc1 ZINC000904406013 1317842928 /nfs/dbraw/zinc/84/29/28/1317842928.db2.gz NKLWVZCJLXARRN-QGZVFWFLSA-N 2 1 340.467 3.445 20 0 EGADMP Cc1ccc(OCc2nc(C[N@@H+]3CC[C@H](CC[NH3+])C3)cs2)cc1 ZINC000904406435 1317843695 /nfs/dbraw/zinc/84/36/95/1317843695.db2.gz VCTWVYGFKPOPLC-HNNXBMFYSA-N 2 1 331.485 3.201 20 0 EGADMP Cc1ccc(OCc2nc(C[N@H+]3CC[C@H](CC[NH3+])C3)cs2)cc1 ZINC000904406435 1317843704 /nfs/dbraw/zinc/84/37/04/1317843704.db2.gz VCTWVYGFKPOPLC-HNNXBMFYSA-N 2 1 331.485 3.201 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001020675744 1317852456 /nfs/dbraw/zinc/85/24/56/1317852456.db2.gz DFIQHRUXKKPUPR-PWKSQPCKSA-N 2 1 349.563 3.312 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904625121 1317871672 /nfs/dbraw/zinc/87/16/72/1317871672.db2.gz WQONEEPNGBJTOD-MRXNPFEDSA-N 2 1 338.455 3.056 20 0 EGADMP CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000810254745 1317987659 /nfs/dbraw/zinc/98/76/59/1317987659.db2.gz QFCFXJXXQSPRLC-QLFBSQMISA-N 2 1 334.451 3.062 20 0 EGADMP CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000810254745 1317987664 /nfs/dbraw/zinc/98/76/64/1317987664.db2.gz QFCFXJXXQSPRLC-QLFBSQMISA-N 2 1 334.451 3.062 20 0 EGADMP CC[C@H](C)[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C(=O)OC ZINC000905758213 1317992020 /nfs/dbraw/zinc/99/20/20/1317992020.db2.gz WGCAJUBJSXVERZ-WMLDXEAASA-N 2 1 338.517 3.137 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001021096379 1318081889 /nfs/dbraw/zinc/08/18/89/1318081889.db2.gz PZVQNZNCOAHMAT-GUDVDZBRSA-N 2 1 335.536 3.068 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC=C(C)C)C1 ZINC001021357704 1318209244 /nfs/dbraw/zinc/20/92/44/1318209244.db2.gz NDYXERVIGYUJLA-UMQXSMKFSA-N 2 1 347.547 3.186 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC=C(C)C)C1 ZINC001021357704 1318209253 /nfs/dbraw/zinc/20/92/53/1318209253.db2.gz NDYXERVIGYUJLA-UMQXSMKFSA-N 2 1 347.547 3.186 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC=C(C)C)C1 ZINC001021357704 1318209257 /nfs/dbraw/zinc/20/92/57/1318209257.db2.gz NDYXERVIGYUJLA-UMQXSMKFSA-N 2 1 347.547 3.186 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCCCC2)C1 ZINC001021380695 1318222934 /nfs/dbraw/zinc/22/29/34/1318222934.db2.gz QGUDWXLMEBVRSI-OHSMVPPVSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCCCC2)C1 ZINC001021380695 1318222939 /nfs/dbraw/zinc/22/29/39/1318222939.db2.gz QGUDWXLMEBVRSI-OHSMVPPVSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCCC2)C1 ZINC001021380695 1318222948 /nfs/dbraw/zinc/22/29/48/1318222948.db2.gz QGUDWXLMEBVRSI-OHSMVPPVSA-N 2 1 347.547 3.020 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCCC2CCCC2)C1 ZINC001021460779 1318265333 /nfs/dbraw/zinc/26/53/33/1318265333.db2.gz JOVWQOFREVEEHE-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC2CCCC2)C1 ZINC001021460779 1318265342 /nfs/dbraw/zinc/26/53/42/1318265342.db2.gz JOVWQOFREVEEHE-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC2CCCC2)C1 ZINC001021460779 1318265350 /nfs/dbraw/zinc/26/53/50/1318265350.db2.gz JOVWQOFREVEEHE-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP CN(C)Cc1ccc(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)cc1Cl ZINC000907907340 1318278505 /nfs/dbraw/zinc/27/85/05/1318278505.db2.gz BKNHWWNFHZCCAD-NVXWUHKLSA-N 2 1 335.879 3.357 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cc1Cl ZINC000907907340 1318278511 /nfs/dbraw/zinc/27/85/11/1318278511.db2.gz BKNHWWNFHZCCAD-NVXWUHKLSA-N 2 1 335.879 3.357 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)cc1Cl ZINC000907907340 1318278516 /nfs/dbraw/zinc/27/85/16/1318278516.db2.gz BKNHWWNFHZCCAD-NVXWUHKLSA-N 2 1 335.879 3.357 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCC2)CC[N@H+]1C ZINC000960007430 1318309939 /nfs/dbraw/zinc/30/99/39/1318309939.db2.gz FYJLGNLQJQHRQE-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCCC2)C1 ZINC000960132659 1318373874 /nfs/dbraw/zinc/37/38/74/1318373874.db2.gz XEVPIQVJEHGDSL-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000960310762 1318454804 /nfs/dbraw/zinc/45/48/04/1318454804.db2.gz OFZQBMHJSKOMOK-VAMGGRTRSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670620 1318535148 /nfs/dbraw/zinc/53/51/48/1318535148.db2.gz NEIDDPKELGOBHI-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021670620 1318535152 /nfs/dbraw/zinc/53/51/52/1318535152.db2.gz NEIDDPKELGOBHI-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021670620 1318535160 /nfs/dbraw/zinc/53/51/60/1318535160.db2.gz NEIDDPKELGOBHI-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739196 1318647371 /nfs/dbraw/zinc/64/73/71/1318647371.db2.gz HJXVOLRJDVRZPB-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CC2CCCCC2)CC[N@H+]1C ZINC000960643790 1318763083 /nfs/dbraw/zinc/76/30/83/1318763083.db2.gz MQFHRZDZTPHURX-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[N@H+](C)CC2CCCCC2)CC[NH+]1C ZINC000960643790 1318763087 /nfs/dbraw/zinc/76/30/87/1318763087.db2.gz MQFHRZDZTPHURX-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCCCC2)CC[NH+]1C ZINC000960643790 1318763103 /nfs/dbraw/zinc/76/31/03/1318763103.db2.gz MQFHRZDZTPHURX-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001022165036 1318825677 /nfs/dbraw/zinc/82/56/77/1318825677.db2.gz STMINAKGVXDRIW-IJXRJRJASA-N 2 1 343.515 3.167 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H](O)c2cccc(C)c2)CC1 ZINC000930146053 1328798162 /nfs/dbraw/zinc/79/81/62/1328798162.db2.gz PBKUUILOBMUTLF-NRFANRHFSA-N 2 1 348.531 3.099 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(C)cc(C)c1)[NH+](C)C ZINC000960868361 1319012187 /nfs/dbraw/zinc/01/21/87/1319012187.db2.gz IRLIALHOSGOPRW-PMACEKPBSA-N 2 1 345.531 3.066 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC000960913139 1319060036 /nfs/dbraw/zinc/06/00/36/1319060036.db2.gz GDQORWSDDYCBNJ-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](C2CCN(C(C)=O)CC2)CC1)CC(C)C ZINC000930179269 1328805410 /nfs/dbraw/zinc/80/54/10/1328805410.db2.gz JTRFNOZZMQWJIO-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)c1 ZINC001022711965 1319079556 /nfs/dbraw/zinc/07/95/56/1319079556.db2.gz HBPJCOGPPBVPPL-HCXYKTFWSA-N 2 1 343.515 3.086 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CC(C)C2)CC1 ZINC000960960535 1319091944 /nfs/dbraw/zinc/09/19/44/1319091944.db2.gz XAQYHEYHZBDWDW-AFMYVXGZSA-N 2 1 349.563 3.076 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC000960978215 1319112792 /nfs/dbraw/zinc/11/27/92/1319112792.db2.gz IEZKGKQFXIKXTP-KRWDZBQOSA-N 2 1 344.503 3.111 20 0 EGADMP C[N@H+](Cc1ccsc1)C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC000961029764 1319152045 /nfs/dbraw/zinc/15/20/45/1319152045.db2.gz YMUIKBQBMAQAJQ-GOSISDBHSA-N 2 1 349.544 3.047 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]2C[N@@H+](C)C(C)C)o1 ZINC000961047097 1319170196 /nfs/dbraw/zinc/17/01/96/1319170196.db2.gz KQMLZYBORHMODF-INIZCTEOSA-N 2 1 335.492 3.066 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001022958275 1319186912 /nfs/dbraw/zinc/18/69/12/1319186912.db2.gz HUIDKRDELOGEQM-ZCNNSNEGSA-N 2 1 349.563 3.458 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001023128945 1319276336 /nfs/dbraw/zinc/27/63/36/1319276336.db2.gz ZWXXLVWYQHCWKG-IJXRJRJASA-N 2 1 343.515 3.167 20 0 EGADMP Fc1cccc(F)c1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817902773 1319456242 /nfs/dbraw/zinc/45/62/42/1319456242.db2.gz XZPPALBXBMKHKN-IEBWSBKVSA-N 2 1 330.378 3.310 20 0 EGADMP Fc1cccc(F)c1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817902775 1319457254 /nfs/dbraw/zinc/45/72/54/1319457254.db2.gz XZPPALBXBMKHKN-PKOBYXMFSA-N 2 1 330.378 3.310 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1C[NH+]1CCCCC1 ZINC000817959473 1319477818 /nfs/dbraw/zinc/47/78/18/1319477818.db2.gz ROOVZZHLEYCKKY-QFBILLFUSA-N 3 1 333.520 3.315 20 0 EGADMP COc1ccc([C@H](C)N[C@H]2CC[NH2+][C@@H](C)C2)cc1C[NH+]1CCCCC1 ZINC000817972662 1319482871 /nfs/dbraw/zinc/48/28/71/1319482871.db2.gz ZHKSFHCRLYPGRL-ZWOKBUDYSA-N 2 1 345.531 3.472 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961366540 1319522288 /nfs/dbraw/zinc/52/22/88/1319522288.db2.gz IPOUEKGSWJOHPX-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000961366540 1319522300 /nfs/dbraw/zinc/52/23/00/1319522300.db2.gz IPOUEKGSWJOHPX-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000961366540 1319522308 /nfs/dbraw/zinc/52/23/08/1319522308.db2.gz IPOUEKGSWJOHPX-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1OC ZINC000818616030 1319571934 /nfs/dbraw/zinc/57/19/34/1319571934.db2.gz SQRVTUCBALSVEQ-KFKAGJAMSA-N 3 1 333.520 3.458 20 0 EGADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000818989171 1319607092 /nfs/dbraw/zinc/60/70/92/1319607092.db2.gz ZYFLWLIRDGQFAA-KXBFYZLASA-N 2 1 348.487 3.422 20 0 EGADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000818989171 1319607100 /nfs/dbraw/zinc/60/71/00/1319607100.db2.gz ZYFLWLIRDGQFAA-KXBFYZLASA-N 2 1 348.487 3.422 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000819101867 1319634377 /nfs/dbraw/zinc/63/43/77/1319634377.db2.gz ZNMGJHDBQQLFHL-INIZCTEOSA-N 2 1 325.815 3.087 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2)[C@H]1c1cccs1 ZINC000819100840 1319634971 /nfs/dbraw/zinc/63/49/71/1319634971.db2.gz JIEHNXQWOJXMEG-SCTDSRPQSA-N 2 1 330.497 3.454 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2)[C@H]1c1cccs1 ZINC000819100840 1319634976 /nfs/dbraw/zinc/63/49/76/1319634976.db2.gz JIEHNXQWOJXMEG-SCTDSRPQSA-N 2 1 330.497 3.454 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC001023569880 1319684988 /nfs/dbraw/zinc/68/49/88/1319684988.db2.gz VRZJBBFZPCEUNX-IBGZPJMESA-N 2 1 349.563 3.127 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000819366163 1319710391 /nfs/dbraw/zinc/71/03/91/1319710391.db2.gz KERGONGRZWMHMF-XJKSGUPXSA-N 2 1 330.394 3.060 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001023632247 1319754241 /nfs/dbraw/zinc/75/42/41/1319754241.db2.gz HVKWFUWOPZXSTE-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001023632247 1319754244 /nfs/dbraw/zinc/75/42/44/1319754244.db2.gz HVKWFUWOPZXSTE-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001023632247 1319754254 /nfs/dbraw/zinc/75/42/54/1319754254.db2.gz HVKWFUWOPZXSTE-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000823666832 1320196648 /nfs/dbraw/zinc/19/66/48/1320196648.db2.gz TZAZHLLULQESLP-YESZJQIVSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213233 1328946859 /nfs/dbraw/zinc/94/68/59/1328946859.db2.gz FAOVAVGPKDBXAJ-OHTSDLOESA-N 2 1 345.531 3.263 20 0 EGADMP C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213233 1328946861 /nfs/dbraw/zinc/94/68/61/1328946861.db2.gz FAOVAVGPKDBXAJ-OHTSDLOESA-N 2 1 345.531 3.263 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cccc3nsnc32)cc1 ZINC000859214630 1328948210 /nfs/dbraw/zinc/94/82/10/1328948210.db2.gz LTFJPSXXDXHYQI-UHFFFAOYSA-N 2 1 326.469 3.385 20 0 EGADMP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215119 1328948281 /nfs/dbraw/zinc/94/82/81/1328948281.db2.gz ZQEKGIBOPRPUEX-OKZBNKHCSA-N 2 1 345.531 3.358 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCC(=O)NCC2CCCCC2)cc1 ZINC000859214805 1328948293 /nfs/dbraw/zinc/94/82/93/1328948293.db2.gz OREFFBLNDDOYDA-UHFFFAOYSA-N 2 1 345.531 3.267 20 0 EGADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000843349280 1321503628 /nfs/dbraw/zinc/50/36/28/1321503628.db2.gz RAJFLZPYJCZZRP-UHFFFAOYSA-N 2 1 337.467 3.224 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000843353078 1321504230 /nfs/dbraw/zinc/50/42/30/1321504230.db2.gz ASGMOBFYUHBHDI-MPGHIAIKSA-N 2 1 325.456 3.226 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000843353078 1321504234 /nfs/dbraw/zinc/50/42/34/1321504234.db2.gz ASGMOBFYUHBHDI-MPGHIAIKSA-N 2 1 325.456 3.226 20 0 EGADMP Cc1ccc(-c2noc(CCC[N@H+](C)C3CCC([NH3+])CC3)n2)cc1F ZINC000843354653 1321504723 /nfs/dbraw/zinc/50/47/23/1321504723.db2.gz AFWGNARCLJOTLS-UHFFFAOYSA-N 2 1 346.450 3.318 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c2cc1C ZINC000843387209 1321509490 /nfs/dbraw/zinc/50/94/90/1321509490.db2.gz FQHDRVCXGLNTLE-IAGOWNOFSA-N 2 1 340.467 3.231 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000843386790 1321509771 /nfs/dbraw/zinc/50/97/71/1321509771.db2.gz MJHNZPFYNIYHQK-DLBZAZTESA-N 2 1 340.467 3.313 20 0 EGADMP CC(C)(C)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000843388692 1321510137 /nfs/dbraw/zinc/51/01/37/1321510137.db2.gz WJAPCULVUIHFCA-DLBZAZTESA-N 2 1 343.515 3.244 20 0 EGADMP COc1cccc2cc(C[N@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)oc21 ZINC000844903110 1321656246 /nfs/dbraw/zinc/65/62/46/1321656246.db2.gz SIQCMJGZIGOVEQ-FCEWJHQRSA-N 2 1 344.455 3.160 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])cc(=O)oc2c1C ZINC000846225426 1321777166 /nfs/dbraw/zinc/77/71/66/1321777166.db2.gz AYXXJQKZOGZESG-KBXCAEBGSA-N 2 1 328.456 3.359 20 0 EGADMP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846224954 1321777551 /nfs/dbraw/zinc/77/75/51/1321777551.db2.gz GJUUKVHCZQAQQO-XERREHJYSA-N 2 1 337.467 3.228 20 0 EGADMP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846224954 1321777553 /nfs/dbraw/zinc/77/75/53/1321777553.db2.gz GJUUKVHCZQAQQO-XERREHJYSA-N 2 1 337.467 3.228 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000846218402 1321777565 /nfs/dbraw/zinc/77/75/65/1321777565.db2.gz NDCJYZCAKGWRTI-SFHVURJKSA-N 2 1 332.492 3.182 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(Br)CC1 ZINC000846856736 1321817150 /nfs/dbraw/zinc/81/71/50/1321817150.db2.gz GLAOHKLMKIWYJW-GOEBONIOSA-N 2 1 337.305 3.414 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000846859055 1321818095 /nfs/dbraw/zinc/81/80/95/1321818095.db2.gz SCWQVNUHYYMKIG-YJBOKZPZSA-N 2 1 336.439 3.223 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000846859055 1321818097 /nfs/dbraw/zinc/81/80/97/1321818097.db2.gz SCWQVNUHYYMKIG-YJBOKZPZSA-N 2 1 336.439 3.223 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)c1cccc(OC)c1 ZINC000849053791 1322059629 /nfs/dbraw/zinc/05/96/29/1322059629.db2.gz JDSHHXRRMCBARV-APWZRJJASA-N 2 1 346.519 3.334 20 0 EGADMP C[N@@H+](CCCCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000849116042 1322083763 /nfs/dbraw/zinc/08/37/63/1322083763.db2.gz ILASKNZGWSRHGM-UHFFFAOYSA-N 2 1 344.381 3.396 20 0 EGADMP CC1(C)CCC[N@H+]1CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000849117260 1322084810 /nfs/dbraw/zinc/08/48/10/1322084810.db2.gz XFYAZHNJDHCABD-UHFFFAOYSA-N 2 1 344.381 3.396 20 0 EGADMP CCOC(=O)NC1CCC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000850538497 1322262529 /nfs/dbraw/zinc/26/25/29/1322262529.db2.gz GNFYKRKJVRUXRM-JCYILVPMSA-N 2 1 337.508 3.040 20 0 EGADMP CCOC(=O)NC1CCC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000850538497 1322262534 /nfs/dbraw/zinc/26/25/34/1322262534.db2.gz GNFYKRKJVRUXRM-JCYILVPMSA-N 2 1 337.508 3.040 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1Cl ZINC000922388459 1322515789 /nfs/dbraw/zinc/51/57/89/1322515789.db2.gz FEGFDILCMUAAGQ-YRXWBPOGSA-N 2 1 336.907 3.218 20 0 EGADMP CCc1ncc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000923346195 1322738791 /nfs/dbraw/zinc/73/87/91/1322738791.db2.gz WCEMPOGXNMOZQI-IEBWSBKVSA-N 2 1 327.472 3.409 20 0 EGADMP O[C@H](C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1C(F)(F)F ZINC000923362492 1322740646 /nfs/dbraw/zinc/74/06/46/1322740646.db2.gz NMTNSTBQRCVSBE-JKIFEVAISA-N 2 1 342.405 3.060 20 0 EGADMP [NH3+]C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F)C1CCCCC1 ZINC000923375203 1322742002 /nfs/dbraw/zinc/74/20/02/1322742002.db2.gz ZNXIWUHAUKCUHJ-DOTOQJQBSA-N 2 1 344.421 3.106 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@H](CC[NH3+])C3)CCC2)c1 ZINC000923483437 1322759611 /nfs/dbraw/zinc/75/96/11/1322759611.db2.gz OQVGKULOHIZCSI-KRWDZBQOSA-N 2 1 332.488 3.053 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@@H](CC[NH3+])C3)CCC2)c1 ZINC000923483438 1322759862 /nfs/dbraw/zinc/75/98/62/1322759862.db2.gz OQVGKULOHIZCSI-QGZVFWFLSA-N 2 1 332.488 3.053 20 0 EGADMP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CCC[N@@H+](C)Cc2ccccc2)cn1 ZINC000924578528 1323061277 /nfs/dbraw/zinc/06/12/77/1323061277.db2.gz BBAKXRDPBKRZRI-LEWJYISDSA-N 2 1 340.515 3.243 20 0 EGADMP CN1CCC([NH+]2CCC(CC[N@H+](C)CC=C(Cl)Cl)CC2)CC1 ZINC000851802899 1323092619 /nfs/dbraw/zinc/09/26/19/1323092619.db2.gz MWHKUKOFFFKJBI-UHFFFAOYSA-N 3 1 348.362 3.434 20 0 EGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC=C(Cl)Cl)CC2)CC1 ZINC000851802899 1323092629 /nfs/dbraw/zinc/09/26/29/1323092629.db2.gz MWHKUKOFFFKJBI-UHFFFAOYSA-N 2 1 348.362 3.434 20 0 EGADMP CC(C)[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001024118746 1323148001 /nfs/dbraw/zinc/14/80/01/1323148001.db2.gz KAPWSZZUTSDPBS-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C3(Cl)CC3)CC2)oc1C ZINC000925037297 1323252224 /nfs/dbraw/zinc/25/22/24/1323252224.db2.gz JORUWBZAZZTWKA-AWEZNQCLSA-N 2 1 325.884 3.253 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCC2(CC2)CC1 ZINC001024366705 1323340821 /nfs/dbraw/zinc/34/08/21/1323340821.db2.gz UTHUIZWOATYUQX-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001024366705 1323340828 /nfs/dbraw/zinc/34/08/28/1323340828.db2.gz UTHUIZWOATYUQX-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCC2(CC2)CC1 ZINC001024366705 1323340834 /nfs/dbraw/zinc/34/08/34/1323340834.db2.gz UTHUIZWOATYUQX-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440288 1323402066 /nfs/dbraw/zinc/40/20/66/1323402066.db2.gz MLKFLZISPQUUNE-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440288 1323402070 /nfs/dbraw/zinc/40/20/70/1323402070.db2.gz MLKFLZISPQUUNE-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440288 1323402074 /nfs/dbraw/zinc/40/20/74/1323402074.db2.gz MLKFLZISPQUUNE-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448360 1323407476 /nfs/dbraw/zinc/40/74/76/1323407476.db2.gz KMGVUNZVHGGOHI-CEXWTWQISA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001024448360 1323407479 /nfs/dbraw/zinc/40/74/79/1323407479.db2.gz KMGVUNZVHGGOHI-CEXWTWQISA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001024448360 1323407483 /nfs/dbraw/zinc/40/74/83/1323407483.db2.gz KMGVUNZVHGGOHI-CEXWTWQISA-N 2 1 337.552 3.124 20 0 EGADMP O=C(NC[C@@H]1CCCC[N@H+]1CCC1CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479769 1323433698 /nfs/dbraw/zinc/43/36/98/1323433698.db2.gz PHDXLJAQGZDTMP-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCCC[NH+]1CCC1CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479769 1323433702 /nfs/dbraw/zinc/43/37/02/1323433702.db2.gz PHDXLJAQGZDTMP-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCCC[NH+]1CCC1CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479769 1323433703 /nfs/dbraw/zinc/43/37/03/1323433703.db2.gz PHDXLJAQGZDTMP-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1 ZINC001024692577 1323608721 /nfs/dbraw/zinc/60/87/21/1323608721.db2.gz PBRHEAKGKNNWIV-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024692577 1323608727 /nfs/dbraw/zinc/60/87/27/1323608727.db2.gz PBRHEAKGKNNWIV-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024692577 1323608735 /nfs/dbraw/zinc/60/87/35/1323608735.db2.gz PBRHEAKGKNNWIV-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1 ZINC001024692575 1323609421 /nfs/dbraw/zinc/60/94/21/1323609421.db2.gz PBRHEAKGKNNWIV-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024692575 1323609429 /nfs/dbraw/zinc/60/94/29/1323609429.db2.gz PBRHEAKGKNNWIV-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024692575 1323609435 /nfs/dbraw/zinc/60/94/35/1323609435.db2.gz PBRHEAKGKNNWIV-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C/C=C\Cl)cc1 ZINC001024711849 1323619041 /nfs/dbraw/zinc/61/90/41/1323619041.db2.gz MJHNHBWYAFJJQC-RKMNRJFLSA-N 2 1 349.906 3.085 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2C/C=C\Cl)cc1 ZINC001024711849 1323619044 /nfs/dbraw/zinc/61/90/44/1323619044.db2.gz MJHNHBWYAFJJQC-RKMNRJFLSA-N 2 1 349.906 3.085 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811600 1323713333 /nfs/dbraw/zinc/71/33/33/1323713333.db2.gz VBJWHMJAKPXMND-PXNSSMCTSA-N 2 1 345.531 3.379 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024820158 1323725519 /nfs/dbraw/zinc/72/55/19/1323725519.db2.gz VXRCQRWAVHCZPO-MRXNPFEDSA-N 2 1 335.492 3.116 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001024989198 1323814313 /nfs/dbraw/zinc/81/43/13/1323814313.db2.gz FHWMFWPFQYZOGH-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001025002332 1323820255 /nfs/dbraw/zinc/82/02/55/1323820255.db2.gz BQJINEJFRCJSHA-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H](c1cc(Cl)ccc1Cl)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931482373 1329128221 /nfs/dbraw/zinc/12/82/21/1329128221.db2.gz GAJZMBKAWBTEJI-GFCCVEGCSA-N 2 1 331.287 3.443 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258468 1324065973 /nfs/dbraw/zinc/06/59/73/1324065973.db2.gz GPLVNPSSRYWRQP-QZTJIDSGSA-N 2 1 347.503 3.210 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258468 1324065976 /nfs/dbraw/zinc/06/59/76/1324065976.db2.gz GPLVNPSSRYWRQP-QZTJIDSGSA-N 2 1 347.503 3.210 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001025279333 1324100601 /nfs/dbraw/zinc/10/06/01/1324100601.db2.gz ZYBJTAITUNRMMC-PMACEKPBSA-N 2 1 343.515 3.227 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001025286291 1324107573 /nfs/dbraw/zinc/10/75/73/1324107573.db2.gz IOUYTZIZVLIYNB-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001025301694 1324135720 /nfs/dbraw/zinc/13/57/20/1324135720.db2.gz OKPRKJXYQDHUJX-VQTJNVASSA-N 2 1 343.515 3.227 20 0 EGADMP Cc1c(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CC(C)C)C2)ccc2c[nH+]cn21 ZINC001025465944 1324310813 /nfs/dbraw/zinc/31/08/13/1324310813.db2.gz XCBSFHLYMLGKQR-WBVHZDCISA-N 2 1 342.487 3.129 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001025630416 1324481647 /nfs/dbraw/zinc/48/16/47/1324481647.db2.gz SQNHPICNGOYIDN-IAGOWNOFSA-N 2 1 349.519 3.362 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CC3CCCCCC3)CC2)CC[N@H+]1C ZINC001026496898 1324847527 /nfs/dbraw/zinc/84/75/27/1324847527.db2.gz ZHSCZYAKMWEXFB-SGZDXZSOSA-N 2 1 349.563 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001026502868 1324852567 /nfs/dbraw/zinc/85/25/67/1324852567.db2.gz DPKDFBGVCGNKAV-MHJFOBGBSA-N 2 1 349.563 3.458 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001026515975 1324862670 /nfs/dbraw/zinc/86/26/70/1324862670.db2.gz PRLGVTGJJPBOCQ-CTWPCTMYSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001026561125 1324896845 /nfs/dbraw/zinc/89/68/45/1324896845.db2.gz PCSYVQMHGKXEGK-IVMQYODDSA-N 2 1 347.547 3.068 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001026856158 1325045031 /nfs/dbraw/zinc/04/50/31/1325045031.db2.gz UCFGDJNIRAZHOK-WMZOPIPTSA-N 2 1 346.519 3.025 20 0 EGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2ccccc2[nH]1 ZINC000925133945 1325059352 /nfs/dbraw/zinc/05/93/52/1325059352.db2.gz QAYVFMQVURWPFP-VGSWGCGISA-N 2 1 349.478 3.456 20 0 EGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2ccccc2[nH]1 ZINC000925133945 1325059360 /nfs/dbraw/zinc/05/93/60/1325059360.db2.gz QAYVFMQVURWPFP-VGSWGCGISA-N 2 1 349.478 3.456 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026897908 1325067567 /nfs/dbraw/zinc/06/75/67/1325067567.db2.gz WQGXAUMUZMNXQF-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3CC[C@H](C4CCCCC4)C3=O)C2)CC1 ZINC000853504726 1325106987 /nfs/dbraw/zinc/10/69/87/1325106987.db2.gz ODVDAOKFJXNLFY-WOJBJXKFSA-N 2 1 347.547 3.036 20 0 EGADMP COc1cc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)ccc1OC(C)C ZINC000925532056 1325193503 /nfs/dbraw/zinc/19/35/03/1325193503.db2.gz POSBOMRJDBPAFD-AYOQOUSVSA-N 2 1 332.488 3.349 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccnc2Oc2cccc(F)c2)C12CCC2 ZINC000925547396 1325202549 /nfs/dbraw/zinc/20/25/49/1325202549.db2.gz UPMWBBXAODIOCG-IAGOWNOFSA-N 2 1 327.403 3.373 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963426456 1325234435 /nfs/dbraw/zinc/23/44/35/1325234435.db2.gz AXDHYZPRSBZACP-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP FC(F)(F)c1ccncc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925715665 1325268243 /nfs/dbraw/zinc/26/82/43/1325268243.db2.gz GWDKNINVJAZWLN-GOEBONIOSA-N 2 1 327.394 3.358 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CCC([NH2+]Cc2ccccc2)CC1 ZINC000963565289 1325322477 /nfs/dbraw/zinc/32/24/77/1325322477.db2.gz YZSSKQXGFLGINK-MHJFOBGBSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H]1C[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000925843794 1325325910 /nfs/dbraw/zinc/32/59/10/1325325910.db2.gz PGIPLHSJWPYFLY-CWJKEVGVSA-N 2 1 327.516 3.161 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC[N@@H+]1Cc1ccccc1 ZINC000925843794 1325325918 /nfs/dbraw/zinc/32/59/18/1325325918.db2.gz PGIPLHSJWPYFLY-CWJKEVGVSA-N 3 1 327.516 3.161 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000925843794 1325325922 /nfs/dbraw/zinc/32/59/22/1325325922.db2.gz PGIPLHSJWPYFLY-CWJKEVGVSA-N 3 1 327.516 3.161 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CCN1Cc1ccccc1 ZINC000925843794 1325325929 /nfs/dbraw/zinc/32/59/29/1325325929.db2.gz PGIPLHSJWPYFLY-CWJKEVGVSA-N 2 1 327.516 3.161 20 0 EGADMP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000926128197 1325439940 /nfs/dbraw/zinc/43/99/40/1325439940.db2.gz ZLMISPHAIOGSLX-KUHUBIRLSA-N 2 1 343.471 3.099 20 0 EGADMP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000926128197 1325439944 /nfs/dbraw/zinc/43/99/44/1325439944.db2.gz ZLMISPHAIOGSLX-KUHUBIRLSA-N 2 1 343.471 3.099 20 0 EGADMP CC(C)[NH+](CCNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)C(C)C ZINC000856725484 1325513483 /nfs/dbraw/zinc/51/34/83/1325513483.db2.gz LYGMJAIVFOHVAY-FQEVSTJZSA-N 2 1 345.531 3.344 20 0 EGADMP C[NH+](C)C1(CNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)CCCC1 ZINC000856960080 1325545824 /nfs/dbraw/zinc/54/58/24/1325545824.db2.gz LMNJZNQAPDSCKG-IBGZPJMESA-N 2 1 343.515 3.100 20 0 EGADMP C[C@@H](NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)C(C)(C)C[NH+](C)C ZINC000857136372 1325577954 /nfs/dbraw/zinc/57/79/54/1325577954.db2.gz IKFSOTOGQOIVIT-APWZRJJASA-N 2 1 345.531 3.202 20 0 EGADMP CC(C)[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC000964645220 1327617966 /nfs/dbraw/zinc/61/79/66/1327617966.db2.gz XDFIJAQAHKMVRT-JDKNDNFBSA-N 2 1 347.547 3.209 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCCC2)C1 ZINC001027432685 1327672033 /nfs/dbraw/zinc/67/20/33/1327672033.db2.gz HZTBIDYLPMRWNM-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027432685 1327672039 /nfs/dbraw/zinc/67/20/39/1327672039.db2.gz HZTBIDYLPMRWNM-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027432685 1327672047 /nfs/dbraw/zinc/67/20/47/1327672047.db2.gz HZTBIDYLPMRWNM-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001027442437 1327681007 /nfs/dbraw/zinc/68/10/07/1327681007.db2.gz UMBQDPIZHRNJLQ-PXNSSMCTSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001027442437 1327681016 /nfs/dbraw/zinc/68/10/16/1327681016.db2.gz UMBQDPIZHRNJLQ-PXNSSMCTSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001027442437 1327681026 /nfs/dbraw/zinc/68/10/26/1327681026.db2.gz UMBQDPIZHRNJLQ-PXNSSMCTSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCC2)C1)[NH+](C)C ZINC001027451523 1327693899 /nfs/dbraw/zinc/69/38/99/1327693899.db2.gz CBBRJEVKLKDJQB-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001027470390 1327725127 /nfs/dbraw/zinc/72/51/27/1327725127.db2.gz PEROYONBQKVSMN-GOSISDBHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001027470390 1327725135 /nfs/dbraw/zinc/72/51/35/1327725135.db2.gz PEROYONBQKVSMN-GOSISDBHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001027470390 1327725140 /nfs/dbraw/zinc/72/51/40/1327725140.db2.gz PEROYONBQKVSMN-GOSISDBHSA-N 2 1 337.552 3.218 20 0 EGADMP Cc1c(Br)cccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000926909455 1327770542 /nfs/dbraw/zinc/77/05/42/1327770542.db2.gz CDNBEEXLASZJLP-SWLSCSKDSA-N 2 1 325.294 3.372 20 0 EGADMP Fc1cccc(C2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCC2)c1 ZINC000926920624 1327777867 /nfs/dbraw/zinc/77/78/67/1327777867.db2.gz AFHAHIJTJJVTIY-HXUWFJFHSA-N 2 1 346.490 3.480 20 0 EGADMP Cc1ccc(NCC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000927073376 1327842990 /nfs/dbraw/zinc/84/29/90/1327842990.db2.gz KVPBKBXDOSHILT-AZUAARDMSA-N 2 1 338.499 3.302 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH+](C)CC3CCCCCC3)C2)C1 ZINC001027576535 1327914278 /nfs/dbraw/zinc/91/42/78/1327914278.db2.gz QNPWRAACKYJLNX-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H]([N@H+](C)CC3CCCCCC3)C2)C1 ZINC001027576535 1327914288 /nfs/dbraw/zinc/91/42/88/1327914288.db2.gz QNPWRAACKYJLNX-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H]([N@@H+](C)CC3CCCCCC3)C2)C1 ZINC001027576535 1327914299 /nfs/dbraw/zinc/91/42/99/1327914299.db2.gz QNPWRAACKYJLNX-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2 ZINC000965347287 1327983179 /nfs/dbraw/zinc/98/31/79/1327983179.db2.gz OTMPQKREYAQVPL-MBEFBZSESA-N 2 1 347.547 3.066 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC)C2 ZINC000965814629 1328037011 /nfs/dbraw/zinc/03/70/11/1328037011.db2.gz NKPSYYOKNQVUQF-QAELIBMJSA-N 2 1 335.536 3.068 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2ccsc2)C1 ZINC001027694354 1328101322 /nfs/dbraw/zinc/10/13/22/1328101322.db2.gz WDOOHOKLUZJXBS-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccsc2)C1 ZINC001027694354 1328101328 /nfs/dbraw/zinc/10/13/28/1328101328.db2.gz WDOOHOKLUZJXBS-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccsc2)C1 ZINC001027694354 1328101331 /nfs/dbraw/zinc/10/13/31/1328101331.db2.gz WDOOHOKLUZJXBS-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCC2CCCC2)C1 ZINC001027695366 1328102935 /nfs/dbraw/zinc/10/29/35/1328102935.db2.gz RZQYUVPUHYKLPH-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027695366 1328102938 /nfs/dbraw/zinc/10/29/38/1328102938.db2.gz RZQYUVPUHYKLPH-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027695366 1328102943 /nfs/dbraw/zinc/10/29/43/1328102943.db2.gz RZQYUVPUHYKLPH-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)C(C)C)C2)o1 ZINC001027699522 1328113561 /nfs/dbraw/zinc/11/35/61/1328113561.db2.gz GBGVBVNQBNCAHT-INIZCTEOSA-N 2 1 335.492 3.066 20 0 EGADMP CC1([NH+]2CCCC2)CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000928011519 1328171273 /nfs/dbraw/zinc/17/12/73/1328171273.db2.gz VNJLGTIMMZTPDP-BIXGBWIQSA-N 2 1 347.547 3.307 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027919393 1328397315 /nfs/dbraw/zinc/39/73/15/1328397315.db2.gz VPCYPTRGWAVNDO-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC001027919393 1328397317 /nfs/dbraw/zinc/39/73/17/1328397317.db2.gz VPCYPTRGWAVNDO-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCCC1 ZINC001027919393 1328397325 /nfs/dbraw/zinc/39/73/25/1328397325.db2.gz VPCYPTRGWAVNDO-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027973012 1328447883 /nfs/dbraw/zinc/44/78/83/1328447883.db2.gz ZYXREMYDAMKCAT-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC001027973012 1328447884 /nfs/dbraw/zinc/44/78/84/1328447884.db2.gz ZYXREMYDAMKCAT-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCCC1 ZINC001027973012 1328447889 /nfs/dbraw/zinc/44/78/89/1328447889.db2.gz ZYXREMYDAMKCAT-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001027986401 1328457958 /nfs/dbraw/zinc/45/79/58/1328457958.db2.gz WCDXHDIPSDDZBO-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001027986401 1328457960 /nfs/dbraw/zinc/45/79/60/1328457960.db2.gz WCDXHDIPSDDZBO-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC001027986401 1328457965 /nfs/dbraw/zinc/45/79/65/1328457965.db2.gz WCDXHDIPSDDZBO-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028046091 1328512172 /nfs/dbraw/zinc/51/21/72/1328512172.db2.gz YJRILRWOVTUZCI-PKOBYXMFSA-N 2 1 345.531 3.031 20 0 EGADMP COCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(C(C)(C)C)c2)CC1 ZINC000865431344 1329696452 /nfs/dbraw/zinc/69/64/52/1329696452.db2.gz DFKTWPMUZUWVEY-UHFFFAOYSA-N 2 1 334.504 3.193 20 0 EGADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CCO1 ZINC000865804573 1329740016 /nfs/dbraw/zinc/74/00/16/1329740016.db2.gz BFEFCNIBXPLCNZ-BPUTZDHNSA-N 2 1 334.426 3.483 20 0 EGADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CCO1 ZINC000865804573 1329740018 /nfs/dbraw/zinc/74/00/18/1329740018.db2.gz BFEFCNIBXPLCNZ-BPUTZDHNSA-N 2 1 334.426 3.483 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000935196184 1330034825 /nfs/dbraw/zinc/03/48/25/1330034825.db2.gz FIOYRYZQYPTMPP-IBGZPJMESA-N 2 1 329.488 3.136 20 0 EGADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(C)OCCO1 ZINC000866423954 1330109872 /nfs/dbraw/zinc/10/98/72/1330109872.db2.gz BINSHPKUPPUUTF-BJLQDIEVSA-N 2 1 346.515 3.276 20 0 EGADMP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])co1 ZINC000866667129 1330139511 /nfs/dbraw/zinc/13/95/11/1330139511.db2.gz BHXBUPCMBANFLS-YOEHRIQHSA-N 2 1 329.444 3.300 20 0 EGADMP COc1ccccc1-c1nc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])co1 ZINC000866667129 1330139514 /nfs/dbraw/zinc/13/95/14/1330139514.db2.gz BHXBUPCMBANFLS-YOEHRIQHSA-N 2 1 329.444 3.300 20 0 EGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868188153 1330260529 /nfs/dbraw/zinc/26/05/29/1330260529.db2.gz VOLQYFKRULHJTD-RBUKOAKNSA-N 2 1 344.503 3.085 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940780190 1331190882 /nfs/dbraw/zinc/19/08/82/1331190882.db2.gz LEYSEDFFABTVKJ-OAHLLOKOSA-N 2 1 337.533 3.050 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[N@H+](CCC(C)C)C[C@@H]2C)ccc2c[nH+]cn21 ZINC000942206466 1331878775 /nfs/dbraw/zinc/87/87/75/1331878775.db2.gz ZTIUFQUQYPHRIZ-KXBFYZLASA-N 2 1 342.487 3.129 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598364 1331996685 /nfs/dbraw/zinc/99/66/85/1331996685.db2.gz WNGWAHVVSCLOMX-YLJYHZDGSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCC2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943289318 1332138701 /nfs/dbraw/zinc/13/87/01/1332138701.db2.gz PZBLUEDSMHRKAM-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943516774 1332191849 /nfs/dbraw/zinc/19/18/49/1332191849.db2.gz MTGNDOPRVDESJQ-XLIONFOSSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000944168506 1332338638 /nfs/dbraw/zinc/33/86/38/1332338638.db2.gz IXYBWNOWALYSPU-WBVHZDCISA-N 2 1 346.519 3.024 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000944168506 1332338641 /nfs/dbraw/zinc/33/86/41/1332338641.db2.gz IXYBWNOWALYSPU-WBVHZDCISA-N 2 1 346.519 3.024 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631411 1332866447 /nfs/dbraw/zinc/86/64/47/1332866447.db2.gz GDMSKDLNVKEZCC-VNTMZGSJSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946631411 1332866450 /nfs/dbraw/zinc/86/64/50/1332866450.db2.gz GDMSKDLNVKEZCC-VNTMZGSJSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946631411 1332866453 /nfs/dbraw/zinc/86/64/53/1332866453.db2.gz GDMSKDLNVKEZCC-VNTMZGSJSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946904538 1332929188 /nfs/dbraw/zinc/92/91/88/1332929188.db2.gz ITEDRFWHKCZHPU-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947473612 1333142501 /nfs/dbraw/zinc/14/25/01/1333142501.db2.gz NWIBKZXTAKEVFV-ZBFHGGJFSA-N 2 1 328.460 3.026 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCC1=CCCCC1 ZINC000947685293 1333222791 /nfs/dbraw/zinc/22/27/91/1333222791.db2.gz MJPOMWGFRAJPKM-XLIONFOSSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC1CC(C)(C)C1 ZINC000947775518 1333257601 /nfs/dbraw/zinc/25/76/01/1333257601.db2.gz OJMKAXWKDXSVTH-QFBILLFUSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCC(C)(C)C ZINC000947776063 1333258573 /nfs/dbraw/zinc/25/85/73/1333258573.db2.gz TVMSRKKGZGOULU-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947776452 1333258770 /nfs/dbraw/zinc/25/87/70/1333258770.db2.gz WFVIRFWEXDGUFI-LPHOPBHVSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC000948039399 1333350006 /nfs/dbraw/zinc/35/00/06/1333350006.db2.gz GPCKCLYFUFOREC-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCCC1CCCC1 ZINC000948040645 1333350249 /nfs/dbraw/zinc/35/02/49/1333350249.db2.gz REBYIOSNDNDIKZ-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948055449 1333357325 /nfs/dbraw/zinc/35/73/25/1333357325.db2.gz CEJZLTAGJCYIQJ-YLJYHZDGSA-N 2 1 345.531 3.377 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](CC3CCCC3)CC2)CC[N@H+]1C ZINC000948389822 1333505008 /nfs/dbraw/zinc/50/50/08/1333505008.db2.gz YMBBMQCUSSFPJH-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](CC3CCCC3)CC2)CC[NH+]1C ZINC000948389822 1333505009 /nfs/dbraw/zinc/50/50/09/1333505009.db2.gz YMBBMQCUSSFPJH-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CC3CCCC3)CC2)CC[NH+]1C ZINC000948389822 1333505011 /nfs/dbraw/zinc/50/50/11/1333505011.db2.gz YMBBMQCUSSFPJH-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000948552786 1333571843 /nfs/dbraw/zinc/57/18/43/1333571843.db2.gz BLPMVERJZRHNBQ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC000948552786 1333571844 /nfs/dbraw/zinc/57/18/44/1333571844.db2.gz BLPMVERJZRHNBQ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC000948552786 1333571847 /nfs/dbraw/zinc/57/18/47/1333571847.db2.gz BLPMVERJZRHNBQ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000948583172 1333584436 /nfs/dbraw/zinc/58/44/36/1333584436.db2.gz KDOUMAAWKXAPHR-SFHVURJKSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000948771836 1333672084 /nfs/dbraw/zinc/67/20/84/1333672084.db2.gz QPVASLKQUZMYBB-HXUWFJFHSA-N 2 1 345.531 3.126 20 0 EGADMP CCC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000948772629 1333672289 /nfs/dbraw/zinc/67/22/89/1333672289.db2.gz ZNRCWZAHAIRGCO-HXUWFJFHSA-N 2 1 345.531 3.127 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948772146 1333672585 /nfs/dbraw/zinc/67/25/85/1333672585.db2.gz UEMGLGCSEPOFID-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000948772146 1333672589 /nfs/dbraw/zinc/67/25/89/1333672589.db2.gz UEMGLGCSEPOFID-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000948772146 1333672592 /nfs/dbraw/zinc/67/25/92/1333672592.db2.gz UEMGLGCSEPOFID-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829590 1333702017 /nfs/dbraw/zinc/70/20/17/1333702017.db2.gz RBZUJSVRZCUJIG-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000948858585 1333711764 /nfs/dbraw/zinc/71/17/64/1333711764.db2.gz LHQYIBORRGAPBW-ICSRJNTNSA-N 2 1 343.515 3.075 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000948858585 1333711766 /nfs/dbraw/zinc/71/17/66/1333711766.db2.gz LHQYIBORRGAPBW-ICSRJNTNSA-N 2 1 343.515 3.075 20 0 EGADMP CCN(C(=O)C12CCC[NH+]1CCC2)C1C[NH+](CCC2=CCCCC2)C1 ZINC000950727128 1334122923 /nfs/dbraw/zinc/12/29/23/1334122923.db2.gz IYVPJVQNYYWOAM-UHFFFAOYSA-N 2 1 345.531 3.038 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000951104190 1334183135 /nfs/dbraw/zinc/18/31/35/1334183135.db2.gz VFHZMRBECLCPHN-UHFFFAOYSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC)C2C[NH+](CCCC3CCC3)C2)C1 ZINC000951211826 1334209634 /nfs/dbraw/zinc/20/96/34/1334209634.db2.gz BBHSKJWUZBZBGK-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1c(C(=O)N[C@H]2C[N@@H+](CCC(C)C)CC[C@@H]2C)ccc2c[nH+]cn21 ZINC000967086930 1335658720 /nfs/dbraw/zinc/65/87/20/1335658720.db2.gz MOYZQFNYUOKPFC-KXBFYZLASA-N 2 1 342.487 3.129 20 0 EGADMP C[C@H]1CC[N@@H+](CCC2CCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968330594 1335891610 /nfs/dbraw/zinc/89/16/10/1335891610.db2.gz BREUUJAAUGGNQW-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CCC2CCCC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000968330594 1335891611 /nfs/dbraw/zinc/89/16/11/1335891611.db2.gz BREUUJAAUGGNQW-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CCC2CCCC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000968330594 1335891612 /nfs/dbraw/zinc/89/16/12/1335891612.db2.gz BREUUJAAUGGNQW-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000968646204 1335994693 /nfs/dbraw/zinc/99/46/93/1335994693.db2.gz BVLLIQJZEBMDMX-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1cnc2cc(C(=O)NC[C@H]3CCCCC[N@@H+]3CC(C)C)ccn12 ZINC000968858369 1336070551 /nfs/dbraw/zinc/07/05/51/1336070551.db2.gz CNAHBHBDZITWPU-GOSISDBHSA-N 2 1 342.487 3.273 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CC2CCCCC2)CC1 ZINC000969013785 1336118369 /nfs/dbraw/zinc/11/83/69/1336118369.db2.gz GPRMIKQZPOUYIE-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CCc1cc(Br)ccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205316732 1370718660 /nfs/dbraw/zinc/71/86/60/1370718660.db2.gz KVTNOGNTZOCWOT-IUODEOHRSA-N 2 1 325.294 3.428 20 0 EGADMP CCc1cc(Br)ccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205316732 1370718666 /nfs/dbraw/zinc/71/86/66/1370718666.db2.gz KVTNOGNTZOCWOT-IUODEOHRSA-N 2 1 325.294 3.428 20 0 EGADMP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000969969661 1336267950 /nfs/dbraw/zinc/26/79/50/1336267950.db2.gz PDQLICWRNLDSET-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000970141733 1336284054 /nfs/dbraw/zinc/28/40/54/1336284054.db2.gz FZAYMKGOTZQRRT-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C2CC[NH+](CC3CCCC3)CC2)C1 ZINC001005872273 1336413767 /nfs/dbraw/zinc/41/37/67/1336413767.db2.gz UJCUMWPXMKABFI-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001007456440 1336650201 /nfs/dbraw/zinc/65/02/01/1336650201.db2.gz GUPLLABKSXQSHS-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001007456440 1336650203 /nfs/dbraw/zinc/65/02/03/1336650203.db2.gz GUPLLABKSXQSHS-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CCCC3CCC3)C2)C1 ZINC001007496645 1336657639 /nfs/dbraw/zinc/65/76/39/1336657639.db2.gz QHMCATZYRIABIC-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](CCCC3CCC3)C2)C1 ZINC001007496645 1336657640 /nfs/dbraw/zinc/65/76/40/1336657640.db2.gz QHMCATZYRIABIC-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCCC3CCC3)C2)C1 ZINC001007496645 1336657641 /nfs/dbraw/zinc/65/76/41/1336657641.db2.gz QHMCATZYRIABIC-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001007649675 1336684236 /nfs/dbraw/zinc/68/42/36/1336684236.db2.gz WTTHIKHRQRYKJK-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001007649675 1336684237 /nfs/dbraw/zinc/68/42/37/1336684237.db2.gz WTTHIKHRQRYKJK-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001007649675 1336684239 /nfs/dbraw/zinc/68/42/39/1336684239.db2.gz WTTHIKHRQRYKJK-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001008052748 1336759449 /nfs/dbraw/zinc/75/94/49/1336759449.db2.gz OPITTXXHTLGBMR-UXHICEINSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014415382 1337771494 /nfs/dbraw/zinc/77/14/94/1337771494.db2.gz UGJNKTPWNBFXSG-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001014415382 1337771497 /nfs/dbraw/zinc/77/14/97/1337771497.db2.gz UGJNKTPWNBFXSG-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001014415382 1337771500 /nfs/dbraw/zinc/77/15/00/1337771500.db2.gz UGJNKTPWNBFXSG-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014631966 1337853576 /nfs/dbraw/zinc/85/35/76/1337853576.db2.gz PTLKFYWKLGMCQR-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001014631966 1337853582 /nfs/dbraw/zinc/85/35/82/1337853582.db2.gz PTLKFYWKLGMCQR-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001014631966 1337853585 /nfs/dbraw/zinc/85/35/85/1337853585.db2.gz PTLKFYWKLGMCQR-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014724657 1337885856 /nfs/dbraw/zinc/88/58/56/1337885856.db2.gz WOTMVQHIBDWEIK-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001014724657 1337885860 /nfs/dbraw/zinc/88/58/60/1337885860.db2.gz WOTMVQHIBDWEIK-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001014724657 1337885863 /nfs/dbraw/zinc/88/58/63/1337885863.db2.gz WOTMVQHIBDWEIK-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001015056695 1338004345 /nfs/dbraw/zinc/00/43/45/1338004345.db2.gz IEVHGZHJHQENNO-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001015056695 1338004349 /nfs/dbraw/zinc/00/43/49/1338004349.db2.gz IEVHGZHJHQENNO-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001015056695 1338004353 /nfs/dbraw/zinc/00/43/53/1338004353.db2.gz IEVHGZHJHQENNO-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001015795421 1338314505 /nfs/dbraw/zinc/31/45/05/1338314505.db2.gz OYLLIOJCAXURRA-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCC1CCCC1)CC2 ZINC001016542803 1338639813 /nfs/dbraw/zinc/63/98/13/1338639813.db2.gz LBMITKGXPXUTAV-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CCC(C)C)CC3)C1 ZINC001016788809 1338728056 /nfs/dbraw/zinc/72/80/56/1338728056.db2.gz DOLJBSWZMMENAR-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001017225408 1338965930 /nfs/dbraw/zinc/96/59/30/1338965930.db2.gz YMLVGDIBULCBAC-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+](C)C(C)C)C1 ZINC001017247233 1338977718 /nfs/dbraw/zinc/97/77/18/1338977718.db2.gz VFGDPMZINRFVDO-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+](C)C(C)C)C1 ZINC001017247233 1338977721 /nfs/dbraw/zinc/97/77/21/1338977721.db2.gz VFGDPMZINRFVDO-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)C(C)C)C1 ZINC001017247233 1338977722 /nfs/dbraw/zinc/97/77/22/1338977722.db2.gz VFGDPMZINRFVDO-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001017262650 1338989522 /nfs/dbraw/zinc/98/95/22/1338989522.db2.gz DKGXWIIENAAGBZ-MOPGFXCFSA-N 2 1 343.515 3.014 20 0 EGADMP CC(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001018312504 1339572487 /nfs/dbraw/zinc/57/24/87/1339572487.db2.gz FEYGMLAAWORGPV-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093032 1340421831 /nfs/dbraw/zinc/42/18/31/1340421831.db2.gz GKBXFAHNXIKDHY-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093032 1340421833 /nfs/dbraw/zinc/42/18/33/1340421833.db2.gz GKBXFAHNXIKDHY-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093032 1340421835 /nfs/dbraw/zinc/42/18/35/1340421835.db2.gz GKBXFAHNXIKDHY-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001028104126 1340427327 /nfs/dbraw/zinc/42/73/27/1340427327.db2.gz FQWBXRAJYOAZNU-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCC1 ZINC001028104126 1340427328 /nfs/dbraw/zinc/42/73/28/1340427328.db2.gz FQWBXRAJYOAZNU-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001028181133 1340471268 /nfs/dbraw/zinc/47/12/68/1340471268.db2.gz OONHVBJMEBCFPZ-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001028181133 1340471269 /nfs/dbraw/zinc/47/12/69/1340471269.db2.gz OONHVBJMEBCFPZ-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCC1 ZINC001028181133 1340471270 /nfs/dbraw/zinc/47/12/70/1340471270.db2.gz OONHVBJMEBCFPZ-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001028181132 1340471341 /nfs/dbraw/zinc/47/13/41/1340471341.db2.gz OONHVBJMEBCFPZ-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001028181132 1340471343 /nfs/dbraw/zinc/47/13/43/1340471343.db2.gz OONHVBJMEBCFPZ-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCC1 ZINC001028181132 1340471344 /nfs/dbraw/zinc/47/13/44/1340471344.db2.gz OONHVBJMEBCFPZ-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCC2CC2)o1 ZINC001028343520 1340583512 /nfs/dbraw/zinc/58/35/12/1340583512.db2.gz ONOUEHWQCBMEKK-KRWDZBQOSA-N 2 1 347.503 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001028579865 1340712805 /nfs/dbraw/zinc/71/28/05/1340712805.db2.gz KEOLUKZHECKYLN-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001028579865 1340712810 /nfs/dbraw/zinc/71/28/10/1340712810.db2.gz KEOLUKZHECKYLN-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001028579865 1340712819 /nfs/dbraw/zinc/71/28/19/1340712819.db2.gz KEOLUKZHECKYLN-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001028647681 1340742572 /nfs/dbraw/zinc/74/25/72/1340742572.db2.gz LQKWGINKPDPOHB-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001028647681 1340742576 /nfs/dbraw/zinc/74/25/76/1340742576.db2.gz LQKWGINKPDPOHB-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001028647681 1340742580 /nfs/dbraw/zinc/74/25/80/1340742580.db2.gz LQKWGINKPDPOHB-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001028756153 1340792014 /nfs/dbraw/zinc/79/20/14/1340792014.db2.gz YBNUHPIEZSLAEZ-VQTJNVASSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001028756153 1340792015 /nfs/dbraw/zinc/79/20/15/1340792015.db2.gz YBNUHPIEZSLAEZ-VQTJNVASSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001028756153 1340792016 /nfs/dbraw/zinc/79/20/16/1340792016.db2.gz YBNUHPIEZSLAEZ-VQTJNVASSA-N 2 1 349.563 3.127 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(C)C)o1 ZINC001029605275 1341020859 /nfs/dbraw/zinc/02/08/59/1341020859.db2.gz BWFKWFXSUMLPLP-CALCHBBNSA-N 2 1 347.503 3.066 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029751633 1341063844 /nfs/dbraw/zinc/06/38/44/1341063844.db2.gz YQDFMWJYPNAXOT-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001029751633 1341063845 /nfs/dbraw/zinc/06/38/45/1341063845.db2.gz YQDFMWJYPNAXOT-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001029751633 1341063847 /nfs/dbraw/zinc/06/38/47/1341063847.db2.gz YQDFMWJYPNAXOT-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001029755011 1341064379 /nfs/dbraw/zinc/06/43/79/1341064379.db2.gz HHWATEPXMCRPBJ-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029755011 1341064380 /nfs/dbraw/zinc/06/43/80/1341064380.db2.gz HHWATEPXMCRPBJ-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029755011 1341064381 /nfs/dbraw/zinc/06/43/81/1341064381.db2.gz HHWATEPXMCRPBJ-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1)[NH+]1CCCCC1 ZINC001029910428 1341113665 /nfs/dbraw/zinc/11/36/65/1341113665.db2.gz LBKMBLWVXKIBHO-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC(C[N@@H+](C)CC3CCCCC3)CC2)CCC1 ZINC001029970087 1341139058 /nfs/dbraw/zinc/13/90/58/1341139058.db2.gz LAZASMILSFJQMO-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C[NH+](C)CC3CCCCC3)CC2)C1 ZINC001029995675 1341151199 /nfs/dbraw/zinc/15/11/99/1341151199.db2.gz UVKUQTXIARRBKR-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC(C[N@H+](C)CC3CCCCC3)CC2)C1 ZINC001029995675 1341151201 /nfs/dbraw/zinc/15/12/01/1341151201.db2.gz UVKUQTXIARRBKR-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC(C[N@@H+](C)CC3CCCCC3)CC2)C1 ZINC001029995675 1341151204 /nfs/dbraw/zinc/15/12/04/1341151204.db2.gz UVKUQTXIARRBKR-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH+](C)CC2CCCCC2)CC1 ZINC001029995258 1341151260 /nfs/dbraw/zinc/15/12/60/1341151260.db2.gz DWSFLIGOOHNSHK-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC(C[N@H+](C)CC2CCCCC2)CC1 ZINC001029995258 1341151261 /nfs/dbraw/zinc/15/12/61/1341151261.db2.gz DWSFLIGOOHNSHK-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC(C[N@@H+](C)CC2CCCCC2)CC1 ZINC001029995258 1341151262 /nfs/dbraw/zinc/15/12/62/1341151262.db2.gz DWSFLIGOOHNSHK-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC(C[N@@H+](C)CC3CCC3)CC2)C1 ZINC001030010467 1341156865 /nfs/dbraw/zinc/15/68/65/1341156865.db2.gz ROCHLLGMNAMARS-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCC[C@H](CC[NH+]2CC(NC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001030313199 1341177925 /nfs/dbraw/zinc/17/79/25/1341177925.db2.gz RNOPBWYTKNUBFW-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1C[NH+](CCCC2CCCC2)C1 ZINC001030441787 1341187813 /nfs/dbraw/zinc/18/78/13/1341187813.db2.gz GHIGHDMLMKJDKC-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1C[NH+](CCCC2CCCC2)C1 ZINC001030441787 1341187814 /nfs/dbraw/zinc/18/78/14/1341187814.db2.gz GHIGHDMLMKJDKC-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001031234672 1341301158 /nfs/dbraw/zinc/30/11/58/1341301158.db2.gz GDLKVRHMSQJBFJ-IBGZPJMESA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001031234672 1341301162 /nfs/dbraw/zinc/30/11/62/1341301162.db2.gz GDLKVRHMSQJBFJ-IBGZPJMESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NCC1C[NH+](CC2CCCC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001031918974 1341421927 /nfs/dbraw/zinc/42/19/27/1341421927.db2.gz ZPMGGCVJAPKYIQ-FQEVSTJZSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001032445235 1341511823 /nfs/dbraw/zinc/51/18/23/1341511823.db2.gz ANIZCYZQXPBVKU-UFYCRDLUSA-N 2 1 347.547 3.115 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001032445235 1341511824 /nfs/dbraw/zinc/51/18/24/1341511824.db2.gz ANIZCYZQXPBVKU-UFYCRDLUSA-N 2 1 347.547 3.115 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001032445235 1341511825 /nfs/dbraw/zinc/51/18/25/1341511825.db2.gz ANIZCYZQXPBVKU-UFYCRDLUSA-N 2 1 347.547 3.115 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033126393 1341733995 /nfs/dbraw/zinc/73/39/95/1341733995.db2.gz MPFKEOXISOXBJC-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033126393 1341733996 /nfs/dbraw/zinc/73/39/96/1341733996.db2.gz MPFKEOXISOXBJC-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033126393 1341733997 /nfs/dbraw/zinc/73/39/97/1341733997.db2.gz MPFKEOXISOXBJC-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033144767 1341738940 /nfs/dbraw/zinc/73/89/40/1341738940.db2.gz BQHRXBYOJVQLGX-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033144767 1341738941 /nfs/dbraw/zinc/73/89/41/1341738941.db2.gz BQHRXBYOJVQLGX-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033144767 1341738942 /nfs/dbraw/zinc/73/89/42/1341738942.db2.gz BQHRXBYOJVQLGX-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033270310 1341764865 /nfs/dbraw/zinc/76/48/65/1341764865.db2.gz DKEPDRJPHAZLQT-LJQANCHMSA-N 2 1 340.471 3.061 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033319446 1341779940 /nfs/dbraw/zinc/77/99/40/1341779940.db2.gz QABPBEZGRUZDJD-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC3=CCCCC3)C2)C1 ZINC001033354042 1341793403 /nfs/dbraw/zinc/79/34/03/1341793403.db2.gz LXYMZRIRXXODQZ-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001033354042 1341793404 /nfs/dbraw/zinc/79/34/04/1341793404.db2.gz LXYMZRIRXXODQZ-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001033354042 1341793405 /nfs/dbraw/zinc/79/34/05/1341793405.db2.gz LXYMZRIRXXODQZ-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001033420288 1341821782 /nfs/dbraw/zinc/82/17/82/1341821782.db2.gz NTKNUNKTSYXGJM-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001033420288 1341821783 /nfs/dbraw/zinc/82/17/83/1341821783.db2.gz NTKNUNKTSYXGJM-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001033420288 1341821784 /nfs/dbraw/zinc/82/17/84/1341821784.db2.gz NTKNUNKTSYXGJM-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033472639 1341840053 /nfs/dbraw/zinc/84/00/53/1341840053.db2.gz ZLEACGGHOHRXBN-MOPGFXCFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033472639 1341840054 /nfs/dbraw/zinc/84/00/54/1341840054.db2.gz ZLEACGGHOHRXBN-MOPGFXCFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033472639 1341840056 /nfs/dbraw/zinc/84/00/56/1341840056.db2.gz ZLEACGGHOHRXBN-MOPGFXCFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033472599 1341840104 /nfs/dbraw/zinc/84/01/04/1341840104.db2.gz YXPRSOFBMQETAN-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033472599 1341840105 /nfs/dbraw/zinc/84/01/05/1341840105.db2.gz YXPRSOFBMQETAN-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033472599 1341840107 /nfs/dbraw/zinc/84/01/07/1341840107.db2.gz YXPRSOFBMQETAN-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033472229 1341840361 /nfs/dbraw/zinc/84/03/61/1341840361.db2.gz UOYUAZZQGZTJMK-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033472229 1341840362 /nfs/dbraw/zinc/84/03/62/1341840362.db2.gz UOYUAZZQGZTJMK-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033472229 1341840363 /nfs/dbraw/zinc/84/03/63/1341840363.db2.gz UOYUAZZQGZTJMK-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP CCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033856686 1342047024 /nfs/dbraw/zinc/04/70/24/1342047024.db2.gz VOZBFFYERVZCFD-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001033856686 1342047026 /nfs/dbraw/zinc/04/70/26/1342047026.db2.gz VOZBFFYERVZCFD-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001033856686 1342047028 /nfs/dbraw/zinc/04/70/28/1342047028.db2.gz VOZBFFYERVZCFD-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC001033939626 1342101636 /nfs/dbraw/zinc/10/16/36/1342101636.db2.gz CDVMAHIMPYGLHU-QLOJAFMTSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034204306 1342315200 /nfs/dbraw/zinc/31/52/00/1342315200.db2.gz LQHGXCYWERFAMU-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001034204306 1342315204 /nfs/dbraw/zinc/31/52/04/1342315204.db2.gz LQHGXCYWERFAMU-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001034204306 1342315207 /nfs/dbraw/zinc/31/52/07/1342315207.db2.gz LQHGXCYWERFAMU-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP CC1CC(C[N@H+]2CCCC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001034211380 1342320741 /nfs/dbraw/zinc/32/07/41/1342320741.db2.gz LZYUFZJDXJCQPJ-CTWPCTMYSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CCCC3CCCC3)C2)CC[N@H+]1C ZINC001034214704 1342322155 /nfs/dbraw/zinc/32/21/55/1342322155.db2.gz PGQFNBKJIPWZOJ-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001034214704 1342322158 /nfs/dbraw/zinc/32/21/58/1342322158.db2.gz PGQFNBKJIPWZOJ-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001034214704 1342322164 /nfs/dbraw/zinc/32/21/64/1342322164.db2.gz PGQFNBKJIPWZOJ-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(N[C@H]1CCCC[N@@H+](CC2CCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001034248430 1342346285 /nfs/dbraw/zinc/34/62/85/1342346285.db2.gz CAACQJCWVOKECY-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCCC[NH+](CC2CCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001034248430 1342346289 /nfs/dbraw/zinc/34/62/89/1342346289.db2.gz CAACQJCWVOKECY-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCCC[NH+](CC2CCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001034248430 1342346290 /nfs/dbraw/zinc/34/62/90/1342346290.db2.gz CAACQJCWVOKECY-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034272599 1342364030 /nfs/dbraw/zinc/36/40/30/1342364030.db2.gz VYVLARHYJCQMLO-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034272599 1342364033 /nfs/dbraw/zinc/36/40/33/1342364033.db2.gz VYVLARHYJCQMLO-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCCCCC2)C1 ZINC001034272599 1342364035 /nfs/dbraw/zinc/36/40/35/1342364035.db2.gz VYVLARHYJCQMLO-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCCCC2)C1 ZINC001034272599 1342364036 /nfs/dbraw/zinc/36/40/36/1342364036.db2.gz VYVLARHYJCQMLO-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034285183 1342373263 /nfs/dbraw/zinc/37/32/63/1342373263.db2.gz QXKJPNQOLQDXQD-DOTOQJQBSA-N 2 1 342.487 3.273 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331146 1342405825 /nfs/dbraw/zinc/40/58/25/1342405825.db2.gz RYDRCRYSQKJKMT-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCCC[N@@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001034339392 1342413586 /nfs/dbraw/zinc/41/35/86/1342413586.db2.gz DVGYORWJWJUBKR-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](CCC3CCCCC3)C2)C1 ZINC001034394295 1342462339 /nfs/dbraw/zinc/46/23/39/1342462339.db2.gz KVXRQTUIVWLHTL-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CCC3CCCCC3)C2)C1 ZINC001034394295 1342462342 /nfs/dbraw/zinc/46/23/42/1342462342.db2.gz KVXRQTUIVWLHTL-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001034394295 1342462346 /nfs/dbraw/zinc/46/23/46/1342462346.db2.gz KVXRQTUIVWLHTL-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444337 1342504571 /nfs/dbraw/zinc/50/45/71/1342504571.db2.gz FOFBPQHCANKLRG-YLJYHZDGSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445030 1342505042 /nfs/dbraw/zinc/50/50/42/1342505042.db2.gz PGDHTBVOCDIBTI-FQEVSTJZSA-N 2 1 345.531 3.379 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001034462446 1342517932 /nfs/dbraw/zinc/51/79/32/1342517932.db2.gz NTSGQOAAEFLMNH-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001034463988 1342519037 /nfs/dbraw/zinc/51/90/37/1342519037.db2.gz WFSXQGWWCXJZQF-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](CC3CCCCCC3)C2)C1 ZINC001034491860 1342548168 /nfs/dbraw/zinc/54/81/68/1342548168.db2.gz ZEHPKEIIXBVWFC-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@H+](CC3CCCCCC3)C2)C1 ZINC001034491860 1342548171 /nfs/dbraw/zinc/54/81/71/1342548171.db2.gz ZEHPKEIIXBVWFC-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001034491860 1342548173 /nfs/dbraw/zinc/54/81/73/1342548173.db2.gz ZEHPKEIIXBVWFC-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034535220 1342590887 /nfs/dbraw/zinc/59/08/87/1342590887.db2.gz CWKKIZVZXOWYBG-VQIMIIECSA-N 2 1 349.494 3.081 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034537499 1342594758 /nfs/dbraw/zinc/59/47/58/1342594758.db2.gz CFLINYOBHRXZPB-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2=CCCCC2)C1 ZINC001034537499 1342594761 /nfs/dbraw/zinc/59/47/61/1342594761.db2.gz CFLINYOBHRXZPB-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2=CCCCC2)C1 ZINC001034537499 1342594762 /nfs/dbraw/zinc/59/47/62/1342594762.db2.gz CFLINYOBHRXZPB-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034543330 1342604084 /nfs/dbraw/zinc/60/40/84/1342604084.db2.gz ZXINEWCOFZPXNF-MJGOQNOKSA-N 2 1 345.531 3.379 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001034610407 1342646384 /nfs/dbraw/zinc/64/63/84/1342646384.db2.gz NVFXNDZRDIJRDW-FHWLQOOXSA-N 2 1 335.536 3.068 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC001034659675 1342675938 /nfs/dbraw/zinc/67/59/38/1342675938.db2.gz XHILLLOFBCUXRJ-GUDVDZBRSA-N 2 1 349.563 3.314 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCCC3)CC2)C1 ZINC001034775519 1342752907 /nfs/dbraw/zinc/75/29/07/1342752907.db2.gz BTTXVZJTSFKNAH-VAMGGRTRSA-N 2 1 349.563 3.316 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001034942758 1342844932 /nfs/dbraw/zinc/84/49/32/1342844932.db2.gz SLCZHVYLLPIFJU-FUHWJXTLSA-N 2 1 346.519 3.167 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001035020350 1342880406 /nfs/dbraw/zinc/88/04/06/1342880406.db2.gz XVJIKWGGQQOKMA-NSHGMRRFSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC001035020294 1342880904 /nfs/dbraw/zinc/88/09/04/1342880904.db2.gz UCHBRSXIKBKGHX-RLLQIKCJSA-N 2 1 343.515 3.121 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001035101011 1342927162 /nfs/dbraw/zinc/92/71/62/1342927162.db2.gz CVBAOOPJIFEVLI-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035233559 1343054928 /nfs/dbraw/zinc/05/49/28/1343054928.db2.gz IRWWEAIHOIJQIB-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC3(C[NH+](C[C@@H](C)CC)C3)CC2)C1 ZINC001035773322 1343184641 /nfs/dbraw/zinc/18/46/41/1343184641.db2.gz XBDQJKGPKGXLFY-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC2CCC2)C1 ZINC001036451279 1343494930 /nfs/dbraw/zinc/49/49/30/1343494930.db2.gz SFGVWEBVTUTCQE-WMZOPIPTSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@@H]1C[NH2+]CC1CCCC1 ZINC001036577334 1343562476 /nfs/dbraw/zinc/56/24/76/1343562476.db2.gz GHTOHZQFJUNJTL-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CC1CC1 ZINC001036581653 1343564490 /nfs/dbraw/zinc/56/44/90/1343564490.db2.gz VLQZFAWWOOOSJY-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001037856947 1344142306 /nfs/dbraw/zinc/14/23/06/1344142306.db2.gz AQOMHWBEJCHQSB-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001038329379 1344381963 /nfs/dbraw/zinc/38/19/63/1344381963.db2.gz PVILKIMKHZECJH-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001038329379 1344381966 /nfs/dbraw/zinc/38/19/66/1344381966.db2.gz PVILKIMKHZECJH-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCC2(CC2)CC1 ZINC001038329379 1344381967 /nfs/dbraw/zinc/38/19/67/1344381967.db2.gz PVILKIMKHZECJH-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038353485 1344393890 /nfs/dbraw/zinc/39/38/90/1344393890.db2.gz NKSSVAVSEWCVDM-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038353485 1344393896 /nfs/dbraw/zinc/39/38/96/1344393896.db2.gz NKSSVAVSEWCVDM-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038353485 1344393901 /nfs/dbraw/zinc/39/39/01/1344393901.db2.gz NKSSVAVSEWCVDM-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H]2CNC(=O)c2ccn3c[nH+]cc3c2)c1 ZINC001038464252 1344435331 /nfs/dbraw/zinc/43/53/31/1344435331.db2.gz CEJURCFANKLAIE-VQIMIIECSA-N 2 1 348.450 3.208 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC([C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001039133748 1344811473 /nfs/dbraw/zinc/81/14/73/1344811473.db2.gz LPOSXJSQUPVYJS-WOJBJXKFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039133748 1344811480 /nfs/dbraw/zinc/81/14/80/1344811480.db2.gz LPOSXJSQUPVYJS-WOJBJXKFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039133748 1344811485 /nfs/dbraw/zinc/81/14/85/1344811485.db2.gz LPOSXJSQUPVYJS-WOJBJXKFSA-N 2 1 349.563 3.218 20 0 EGADMP CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167568 1344854796 /nfs/dbraw/zinc/85/47/96/1344854796.db2.gz XSFZZQSMCMAHJB-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC001039167568 1344854798 /nfs/dbraw/zinc/85/47/98/1344854798.db2.gz XSFZZQSMCMAHJB-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC001039167568 1344854801 /nfs/dbraw/zinc/85/48/01/1344854801.db2.gz XSFZZQSMCMAHJB-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC([C@@H]2CC[N@H+](C(C)C)C2)CC1)[NH+]1CCCC1 ZINC001039176238 1344868640 /nfs/dbraw/zinc/86/86/40/1344868640.db2.gz QEIODDDHFSVSNR-WOJBJXKFSA-N 2 1 349.563 3.076 20 0 EGADMP CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182895 1344881421 /nfs/dbraw/zinc/88/14/21/1344881421.db2.gz UBYRMJRBOIKMQD-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182895 1344881430 /nfs/dbraw/zinc/88/14/30/1344881430.db2.gz UBYRMJRBOIKMQD-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182895 1344881436 /nfs/dbraw/zinc/88/14/36/1344881436.db2.gz UBYRMJRBOIKMQD-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235232 1344956403 /nfs/dbraw/zinc/95/64/03/1344956403.db2.gz VSORCWCKKWMUOE-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039235232 1344956405 /nfs/dbraw/zinc/95/64/05/1344956405.db2.gz VSORCWCKKWMUOE-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039235232 1344956410 /nfs/dbraw/zinc/95/64/10/1344956410.db2.gz VSORCWCKKWMUOE-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241779 1344968305 /nfs/dbraw/zinc/96/83/05/1344968305.db2.gz IIWPGSWOIOZVCT-UXHICEINSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001039289652 1344998627 /nfs/dbraw/zinc/99/86/27/1344998627.db2.gz WNEDHWJZVQQOEQ-MSRNWOCLSA-N 2 1 335.536 3.161 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001039448185 1345073445 /nfs/dbraw/zinc/07/34/45/1345073445.db2.gz ZSBVEFVASVYZCF-HSALFYBXSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001039448185 1345073452 /nfs/dbraw/zinc/07/34/52/1345073452.db2.gz ZSBVEFVASVYZCF-HSALFYBXSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001039448185 1345073454 /nfs/dbraw/zinc/07/34/54/1345073454.db2.gz ZSBVEFVASVYZCF-HSALFYBXSA-N 2 1 347.547 3.281 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001040013992 1345288082 /nfs/dbraw/zinc/28/80/82/1345288082.db2.gz BRYNQBSCRXZUMV-BGYRXZFFSA-N 2 1 347.547 3.118 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](C(C)C)C2 ZINC001040211710 1345377764 /nfs/dbraw/zinc/37/77/64/1345377764.db2.gz YHLGKOHTTYZEQG-YLJYHZDGSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040211710 1345377768 /nfs/dbraw/zinc/37/77/68/1345377768.db2.gz YHLGKOHTTYZEQG-YLJYHZDGSA-N 2 1 346.519 3.120 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCC1CCC1)C2)[NH+](C)C ZINC001040397674 1345475948 /nfs/dbraw/zinc/47/59/48/1345475948.db2.gz CEISZCABNJDZAA-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CCCCC3)C2)C1)[NH+](C)C ZINC001041646601 1345809271 /nfs/dbraw/zinc/80/92/71/1345809271.db2.gz SVGWAYNJELXWPQ-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042368581 1346059304 /nfs/dbraw/zinc/05/93/04/1346059304.db2.gz RXQCXIUPGNBCME-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H](C(=O)N(C)C1C[NH+](CCC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001044003091 1346231871 /nfs/dbraw/zinc/23/18/71/1346231871.db2.gz IYDFYYKWHLKDDV-GOSISDBHSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001045034625 1346484120 /nfs/dbraw/zinc/48/41/20/1346484120.db2.gz PUGMGZDFOCGIDC-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045224344 1346534644 /nfs/dbraw/zinc/53/46/44/1346534644.db2.gz HDLRQZNEMLDGTJ-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001045225727 1346534951 /nfs/dbraw/zinc/53/49/51/1346534951.db2.gz QOMPBPNXGGHBCT-KRWDZBQOSA-N 2 1 346.519 3.023 20 0 EGADMP CC1(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC[NH+](CC2CCCC2)CC1 ZINC001045438943 1346594129 /nfs/dbraw/zinc/59/41/29/1346594129.db2.gz XSBGCNACZWPVJK-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001045438689 1346594225 /nfs/dbraw/zinc/59/42/25/1346594225.db2.gz VTVIHMLHYHYWED-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001045441632 1346594722 /nfs/dbraw/zinc/59/47/22/1346594722.db2.gz IHOYGROFMGBDEY-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2(C)CC[NH+](CC3CCCC3)CC2)C1 ZINC001045532050 1346619684 /nfs/dbraw/zinc/61/96/84/1346619684.db2.gz XLHZTAVFDGENLY-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001045732155 1346681776 /nfs/dbraw/zinc/68/17/76/1346681776.db2.gz PWIMFIVTEQCZIA-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC001045732155 1346681781 /nfs/dbraw/zinc/68/17/81/1346681781.db2.gz PWIMFIVTEQCZIA-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001045732155 1346681784 /nfs/dbraw/zinc/68/17/84/1346681784.db2.gz PWIMFIVTEQCZIA-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921178 1346758674 /nfs/dbraw/zinc/75/86/74/1346758674.db2.gz HDUGPRZMTJRUDE-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001045921178 1346758676 /nfs/dbraw/zinc/75/86/76/1346758676.db2.gz HDUGPRZMTJRUDE-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001045921178 1346758678 /nfs/dbraw/zinc/75/86/78/1346758678.db2.gz HDUGPRZMTJRUDE-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045942968 1346778497 /nfs/dbraw/zinc/77/84/97/1346778497.db2.gz DKZWEOGACCOSAD-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943938 1346779111 /nfs/dbraw/zinc/77/91/11/1346779111.db2.gz RSLKROFNQKVWQM-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001045943938 1346779113 /nfs/dbraw/zinc/77/91/13/1346779113.db2.gz RSLKROFNQKVWQM-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001045943938 1346779115 /nfs/dbraw/zinc/77/91/15/1346779115.db2.gz RSLKROFNQKVWQM-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045943731 1346779256 /nfs/dbraw/zinc/77/92/56/1346779256.db2.gz NKMCVCPUZMXINT-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001045943731 1346779258 /nfs/dbraw/zinc/77/92/58/1346779258.db2.gz NKMCVCPUZMXINT-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001045943731 1346779259 /nfs/dbraw/zinc/77/92/59/1346779259.db2.gz NKMCVCPUZMXINT-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045944218 1346779703 /nfs/dbraw/zinc/77/97/03/1346779703.db2.gz ZZCTWXOBPHPSOK-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045944218 1346779707 /nfs/dbraw/zinc/77/97/07/1346779707.db2.gz ZZCTWXOBPHPSOK-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001045944218 1346779715 /nfs/dbraw/zinc/77/97/15/1346779715.db2.gz ZZCTWXOBPHPSOK-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[NH+](C(C)C)C2)C1 ZINC001045949744 1346785008 /nfs/dbraw/zinc/78/50/08/1346785008.db2.gz ONMZFDVRQADTEC-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001045949744 1346785011 /nfs/dbraw/zinc/78/50/11/1346785011.db2.gz ONMZFDVRQADTEC-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001045949744 1346785013 /nfs/dbraw/zinc/78/50/13/1346785013.db2.gz ONMZFDVRQADTEC-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@]3(CC[NH+](C(C)C)C3)C2)C1 ZINC001045960124 1346794740 /nfs/dbraw/zinc/79/47/40/1346794740.db2.gz AQRAMBUWYPUZLW-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCCC[C@]3(CC[N@@H+](C(C)C)C3)C2)C1 ZINC001045960124 1346794743 /nfs/dbraw/zinc/79/47/43/1346794743.db2.gz AQRAMBUWYPUZLW-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCCC[C@]3(CC[N@H+](C(C)C)C3)C2)C1 ZINC001045960124 1346794746 /nfs/dbraw/zinc/79/47/46/1346794746.db2.gz AQRAMBUWYPUZLW-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045961069 1346796158 /nfs/dbraw/zinc/79/61/58/1346796158.db2.gz FLCZTIZTCKLNNK-ZJOUEHCJSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001045961069 1346796160 /nfs/dbraw/zinc/79/61/60/1346796160.db2.gz FLCZTIZTCKLNNK-ZJOUEHCJSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001045961069 1346796161 /nfs/dbraw/zinc/79/61/61/1346796161.db2.gz FLCZTIZTCKLNNK-ZJOUEHCJSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001045971049 1346807255 /nfs/dbraw/zinc/80/72/55/1346807255.db2.gz LTAHGFMSOQMABC-HXUWFJFHSA-N 2 1 346.519 3.121 20 0 EGADMP CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001045971049 1346807256 /nfs/dbraw/zinc/80/72/56/1346807256.db2.gz LTAHGFMSOQMABC-HXUWFJFHSA-N 2 1 346.519 3.121 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045975511 1346811454 /nfs/dbraw/zinc/81/14/54/1346811454.db2.gz CWOKMVZKFYPADP-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045980164 1346817310 /nfs/dbraw/zinc/81/73/10/1346817310.db2.gz SFACSXHYPZFDDX-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001045980164 1346817312 /nfs/dbraw/zinc/81/73/12/1346817312.db2.gz SFACSXHYPZFDDX-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001045980164 1346817315 /nfs/dbraw/zinc/81/73/15/1346817315.db2.gz SFACSXHYPZFDDX-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001046315634 1346930919 /nfs/dbraw/zinc/93/09/19/1346930919.db2.gz KQEQDYMKMFIYOP-UYAOXDASSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001046315634 1346930930 /nfs/dbraw/zinc/93/09/30/1346930930.db2.gz KQEQDYMKMFIYOP-UYAOXDASSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001046315634 1346930932 /nfs/dbraw/zinc/93/09/32/1346930932.db2.gz KQEQDYMKMFIYOP-UYAOXDASSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCC2=CCCCC2)C1 ZINC001046315285 1346931048 /nfs/dbraw/zinc/93/10/48/1346931048.db2.gz JNGRPJYSCJRSRO-PZJWPPBQSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCC2=CCCCC2)C1 ZINC001046315285 1346931051 /nfs/dbraw/zinc/93/10/51/1346931051.db2.gz JNGRPJYSCJRSRO-PZJWPPBQSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCC2=CCCCC2)C1 ZINC001046315285 1346931054 /nfs/dbraw/zinc/93/10/54/1346931054.db2.gz JNGRPJYSCJRSRO-PZJWPPBQSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001046315633 1346931305 /nfs/dbraw/zinc/93/13/05/1346931305.db2.gz KQEQDYMKMFIYOP-QUCCMNQESA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001046315633 1346931307 /nfs/dbraw/zinc/93/13/07/1346931307.db2.gz KQEQDYMKMFIYOP-QUCCMNQESA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001046315633 1346931310 /nfs/dbraw/zinc/93/13/10/1346931310.db2.gz KQEQDYMKMFIYOP-QUCCMNQESA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@]2(C)CC[NH+](CCC(C)(C)C)C2)C1 ZINC001046561036 1347017783 /nfs/dbraw/zinc/01/77/83/1347017783.db2.gz AVIXJUVQFAXXOX-FXAWDEMLSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@]2(C)CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001046561036 1347017784 /nfs/dbraw/zinc/01/77/84/1347017784.db2.gz AVIXJUVQFAXXOX-FXAWDEMLSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001046561036 1347017786 /nfs/dbraw/zinc/01/77/86/1347017786.db2.gz AVIXJUVQFAXXOX-FXAWDEMLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046587744 1347027875 /nfs/dbraw/zinc/02/78/75/1347027875.db2.gz HALQVXFFHHDQAV-FPOVZHCZSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCC1)C2)[NH+]1CCCC1 ZINC001047120246 1347212230 /nfs/dbraw/zinc/21/22/30/1347212230.db2.gz CKEFFFPPUODFLI-OTWHNJEPSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCC(C)(C)C)C3)CC1 ZINC001047159867 1347225041 /nfs/dbraw/zinc/22/50/41/1347225041.db2.gz RQTPJHLMHNZDMN-OTWHNJEPSA-N 2 1 349.563 3.124 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCC(C)(C)C)C3)CC1 ZINC001047165328 1347226759 /nfs/dbraw/zinc/22/67/59/1347226759.db2.gz OOTKOROZQWMYJS-FHWLQOOXSA-N 2 1 349.563 3.124 20 0 EGADMP CC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001047244411 1347270106 /nfs/dbraw/zinc/27/01/06/1347270106.db2.gz RJLQHJZTHXZBTH-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047266000 1347287117 /nfs/dbraw/zinc/28/71/17/1347287117.db2.gz NNIZECVKBWMACM-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](Oc2ccc(Br)c(C[NH+](C)C)c2)C1 ZINC001228545862 1375593297 /nfs/dbraw/zinc/59/32/97/1375593297.db2.gz OOOQZCWHHPRAHC-HNNXBMFYSA-N 2 1 341.293 3.372 20 0 EGADMP CC(C)[N@H+]1CC[C@H](Oc2ccc(Br)c(C[NH+](C)C)c2)C1 ZINC001228545862 1375593301 /nfs/dbraw/zinc/59/33/01/1375593301.db2.gz OOOQZCWHHPRAHC-HNNXBMFYSA-N 2 1 341.293 3.372 20 0 EGADMP C[C@H]([NH2+]CC1CCC1)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001047890353 1347400181 /nfs/dbraw/zinc/40/01/81/1347400181.db2.gz ZMEAJZFNCMXQCW-WMZOPIPTSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)C2 ZINC001048538250 1347583374 /nfs/dbraw/zinc/58/33/74/1347583374.db2.gz NNVRPWNKLUSCOU-KNJMJIDISA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[N@@H+]31)C2 ZINC001048538250 1347583376 /nfs/dbraw/zinc/58/33/76/1347583376.db2.gz NNVRPWNKLUSCOU-KNJMJIDISA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)C2 ZINC001048538250 1347583378 /nfs/dbraw/zinc/58/33/78/1347583378.db2.gz NNVRPWNKLUSCOU-KNJMJIDISA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC001048583394 1347605922 /nfs/dbraw/zinc/60/59/22/1347605922.db2.gz JIIYVNADEOKVSW-IYWMVGAKSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001048583394 1347605925 /nfs/dbraw/zinc/60/59/25/1347605925.db2.gz JIIYVNADEOKVSW-IYWMVGAKSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001048583394 1347605930 /nfs/dbraw/zinc/60/59/30/1347605930.db2.gz JIIYVNADEOKVSW-IYWMVGAKSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001048618768 1347620381 /nfs/dbraw/zinc/62/03/81/1347620381.db2.gz BUONXYQIPXWXLU-VAMGGRTRSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCC1)[NH+]1CCCCC1 ZINC001049476190 1347867726 /nfs/dbraw/zinc/86/77/26/1347867726.db2.gz CSAHPJBURPPMBK-RBUKOAKNSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1=CCCCC1)C1CCC1 ZINC001049514512 1347887088 /nfs/dbraw/zinc/88/70/88/1347887088.db2.gz GHMQNPCKMALMHD-WOJBJXKFSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1=CCCCC1)C1CCC1 ZINC001049514512 1347887089 /nfs/dbraw/zinc/88/70/89/1347887089.db2.gz GHMQNPCKMALMHD-WOJBJXKFSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1=CCCCC1)C1CCC1 ZINC001049514512 1347887093 /nfs/dbraw/zinc/88/70/93/1347887093.db2.gz GHMQNPCKMALMHD-WOJBJXKFSA-N 2 1 345.531 3.036 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049563806 1347911637 /nfs/dbraw/zinc/91/16/37/1347911637.db2.gz DTSXFRXOIZWMHO-AQNXPRMDSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001049563806 1347911639 /nfs/dbraw/zinc/91/16/39/1347911639.db2.gz DTSXFRXOIZWMHO-AQNXPRMDSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001049563806 1347911640 /nfs/dbraw/zinc/91/16/40/1347911640.db2.gz DTSXFRXOIZWMHO-AQNXPRMDSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049674364 1347967347 /nfs/dbraw/zinc/96/73/47/1347967347.db2.gz CDSVFBWIZMNKSL-SZMVWBNQSA-N 2 1 347.503 3.066 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049674364 1347967350 /nfs/dbraw/zinc/96/73/50/1347967350.db2.gz CDSVFBWIZMNKSL-SZMVWBNQSA-N 2 1 347.503 3.066 20 0 EGADMP CC(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049751018 1348000456 /nfs/dbraw/zinc/00/04/56/1348000456.db2.gz BGFWGDSKQYVHPX-ROUUACIJSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049751018 1348000459 /nfs/dbraw/zinc/00/04/59/1348000459.db2.gz BGFWGDSKQYVHPX-ROUUACIJSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049789500 1348023396 /nfs/dbraw/zinc/02/33/96/1348023396.db2.gz AJPVNCUBPKWQIW-WOJBJXKFSA-N 2 1 343.515 3.083 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049819689 1348036796 /nfs/dbraw/zinc/03/67/96/1348036796.db2.gz GVOGTXLFUIVOMZ-VQTJNVASSA-N 2 1 349.563 3.218 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001079806420 1357388347 /nfs/dbraw/zinc/38/83/47/1357388347.db2.gz GDHXXBYNKGHZEU-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C ZINC001079806420 1357388350 /nfs/dbraw/zinc/38/83/50/1357388350.db2.gz GDHXXBYNKGHZEU-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C ZINC001079806420 1357388355 /nfs/dbraw/zinc/38/83/55/1357388355.db2.gz GDHXXBYNKGHZEU-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049913998 1348109043 /nfs/dbraw/zinc/10/90/43/1348109043.db2.gz LCDLJNYFKNLXHT-XUVXKRRUSA-N 2 1 343.515 3.155 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049913998 1348109044 /nfs/dbraw/zinc/10/90/44/1348109044.db2.gz LCDLJNYFKNLXHT-XUVXKRRUSA-N 2 1 343.515 3.155 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC001049918893 1348112359 /nfs/dbraw/zinc/11/23/59/1348112359.db2.gz NHXJRPLYDLVICG-GBESFXJTSA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049918893 1348112362 /nfs/dbraw/zinc/11/23/62/1348112362.db2.gz NHXJRPLYDLVICG-GBESFXJTSA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C ZINC001049918893 1348112363 /nfs/dbraw/zinc/11/23/63/1348112363.db2.gz NHXJRPLYDLVICG-GBESFXJTSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@H](C)[NH2+]C(C)C)cc1 ZINC001050265220 1348222594 /nfs/dbraw/zinc/22/25/94/1348222594.db2.gz LJJVUJVOXXEWRZ-FXAWDEMLSA-N 2 1 345.531 3.482 20 0 EGADMP C[C@H]([NH2+]CC1CCCC1)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001050272100 1348224540 /nfs/dbraw/zinc/22/45/40/1348224540.db2.gz CNJQNSCDZVYRMW-OXJNMPFZSA-N 2 1 343.515 3.095 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001050368079 1348240646 /nfs/dbraw/zinc/24/06/46/1348240646.db2.gz RIXHQNCICHQHGP-AFYVEPGGSA-N 2 1 349.563 3.029 20 0 EGADMP O=C(N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001050375062 1348242776 /nfs/dbraw/zinc/24/27/76/1348242776.db2.gz DWNFCUOUYGXTFA-UAFMIMERSA-N 2 1 347.547 3.068 20 0 EGADMP CC1CCC(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001050389940 1348247822 /nfs/dbraw/zinc/24/78/22/1348247822.db2.gz IWARMLKLOHBBHM-PWKSQPCKSA-N 2 1 349.563 3.029 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)CC1)[NH+]1CCCCC1 ZINC001052376872 1348535152 /nfs/dbraw/zinc/53/51/52/1348535152.db2.gz KEBDEWKVJDIXJQ-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052513936 1348563752 /nfs/dbraw/zinc/56/37/52/1348563752.db2.gz KZOJXNCNDFWVIS-MRXNPFEDSA-N 2 1 328.460 3.027 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052526313 1348565930 /nfs/dbraw/zinc/56/59/30/1348565930.db2.gz BBLJABFLCDXVAS-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052531450 1348567622 /nfs/dbraw/zinc/56/76/22/1348567622.db2.gz JHRZGGSCYMUMCE-SFHVURJKSA-N 2 1 342.487 3.355 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001052590807 1348588620 /nfs/dbraw/zinc/58/86/20/1348588620.db2.gz HAGWFQYHIVPLLC-UXHICEINSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052762751 1348667895 /nfs/dbraw/zinc/66/78/95/1348667895.db2.gz BQUDEYVEABQDKM-MOPGFXCFSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052762751 1348667897 /nfs/dbraw/zinc/66/78/97/1348667897.db2.gz BQUDEYVEABQDKM-MOPGFXCFSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052762751 1348667899 /nfs/dbraw/zinc/66/78/99/1348667899.db2.gz BQUDEYVEABQDKM-MOPGFXCFSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC001052764381 1348669447 /nfs/dbraw/zinc/66/94/47/1348669447.db2.gz NSCHIMJROIMJOR-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC001052764381 1348669450 /nfs/dbraw/zinc/66/94/50/1348669450.db2.gz NSCHIMJROIMJOR-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC001052764381 1348669454 /nfs/dbraw/zinc/66/94/54/1348669454.db2.gz NSCHIMJROIMJOR-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001052764714 1348669588 /nfs/dbraw/zinc/66/95/88/1348669588.db2.gz RJXUAROYFGSULW-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052765055 1348670478 /nfs/dbraw/zinc/67/04/78/1348670478.db2.gz VLOQZYLUZJURRM-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052765055 1348670481 /nfs/dbraw/zinc/67/04/81/1348670481.db2.gz VLOQZYLUZJURRM-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052765055 1348670483 /nfs/dbraw/zinc/67/04/83/1348670483.db2.gz VLOQZYLUZJURRM-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052788605 1348680181 /nfs/dbraw/zinc/68/01/81/1348680181.db2.gz TYZSICYTOZDQTR-HXUWFJFHSA-N 2 1 345.531 3.379 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052859800 1348705724 /nfs/dbraw/zinc/70/57/24/1348705724.db2.gz NJOSFXQYXASLDH-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001052859800 1348705726 /nfs/dbraw/zinc/70/57/26/1348705726.db2.gz NJOSFXQYXASLDH-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001052859800 1348705728 /nfs/dbraw/zinc/70/57/28/1348705728.db2.gz NJOSFXQYXASLDH-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001052955403 1348769592 /nfs/dbraw/zinc/76/95/92/1348769592.db2.gz FLVGDQYCXZNUFB-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001052955403 1348769595 /nfs/dbraw/zinc/76/95/95/1348769595.db2.gz FLVGDQYCXZNUFB-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001052955403 1348769599 /nfs/dbraw/zinc/76/95/99/1348769599.db2.gz FLVGDQYCXZNUFB-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H](F)CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052956859 1348770725 /nfs/dbraw/zinc/77/07/25/1348770725.db2.gz AHZRAWRACYQOJH-WMZOPIPTSA-N 2 1 349.494 3.081 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052957813 1348771197 /nfs/dbraw/zinc/77/11/97/1348771197.db2.gz JHCQOAJMIFOCCH-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053092109 1348917902 /nfs/dbraw/zinc/91/79/02/1348917902.db2.gz QEWHYIHILFRBOB-OALUTQOASA-N 2 1 346.519 3.085 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053092109 1348917907 /nfs/dbraw/zinc/91/79/07/1348917907.db2.gz QEWHYIHILFRBOB-OALUTQOASA-N 2 1 346.519 3.085 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001054244575 1349238494 /nfs/dbraw/zinc/23/84/94/1349238494.db2.gz HHAMBSMXUJLYMZ-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001054244575 1349238496 /nfs/dbraw/zinc/23/84/96/1349238496.db2.gz HHAMBSMXUJLYMZ-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCC(C)C)C2)C1 ZINC001054244575 1349238499 /nfs/dbraw/zinc/23/84/99/1349238499.db2.gz HHAMBSMXUJLYMZ-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C3CCCC3)cc2C1 ZINC001054268316 1349266418 /nfs/dbraw/zinc/26/64/18/1349266418.db2.gz UITMGYQOBHOWGB-FQEVSTJZSA-N 2 1 341.499 3.045 20 0 EGADMP CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)cc2C1 ZINC001054268316 1349266422 /nfs/dbraw/zinc/26/64/22/1349266422.db2.gz UITMGYQOBHOWGB-FQEVSTJZSA-N 2 1 341.499 3.045 20 0 EGADMP CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)cc2C1 ZINC001054268316 1349266423 /nfs/dbraw/zinc/26/64/23/1349266423.db2.gz UITMGYQOBHOWGB-FQEVSTJZSA-N 2 1 341.499 3.045 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc2c(c1)C[NH+](C(C)C)C2 ZINC001054272017 1349271847 /nfs/dbraw/zinc/27/18/47/1349271847.db2.gz AZPXHWAZFMHZIW-HXUWFJFHSA-N 2 1 343.515 3.147 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCc1ccc2c(c1)C[N@H+](C(C)C)C2 ZINC001054272017 1349271852 /nfs/dbraw/zinc/27/18/52/1349271852.db2.gz AZPXHWAZFMHZIW-HXUWFJFHSA-N 2 1 343.515 3.147 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](C(C)C)C2 ZINC001054272017 1349271855 /nfs/dbraw/zinc/27/18/55/1349271855.db2.gz AZPXHWAZFMHZIW-HXUWFJFHSA-N 2 1 343.515 3.147 20 0 EGADMP CCCC[N@H+]1Cc2ccc(CNC(=O)c3ccn4c[nH+]cc4c3)cc2C1 ZINC001054272746 1349272117 /nfs/dbraw/zinc/27/21/17/1349272117.db2.gz BNSMLSBCMQQEOL-UHFFFAOYSA-N 2 1 348.450 3.380 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037975 1357463715 /nfs/dbraw/zinc/46/37/15/1357463715.db2.gz WWXUKIWGDSRZBL-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001080554380 1357676608 /nfs/dbraw/zinc/67/66/08/1357676608.db2.gz NOJSOWNROBGBIW-ZHALLVOQSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@H](C)CC(C)C)C1 ZINC001183082409 1387259490 /nfs/dbraw/zinc/25/94/90/1387259490.db2.gz TUQGEHAMCJFKOS-QWFCFKBJSA-N 2 1 339.568 3.085 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CC1CCCCC1 ZINC001071645609 1354823865 /nfs/dbraw/zinc/82/38/65/1354823865.db2.gz LDGGJWAJUNZCPP-PKOBYXMFSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CC1=CCCCC1 ZINC001071646053 1354824032 /nfs/dbraw/zinc/82/40/32/1354824032.db2.gz RKLQYLOHNGOKQV-MJGOQNOKSA-N 2 1 345.531 3.084 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@H+]1CC1CCCC1 ZINC001071682964 1354850124 /nfs/dbraw/zinc/85/01/24/1354850124.db2.gz VIHQVBUSBFZFHB-MAUKXSAKSA-N 2 1 340.471 3.107 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@H+]1CC1CCC1 ZINC001071898198 1355013431 /nfs/dbraw/zinc/01/34/31/1355013431.db2.gz XATBZTBTOBPEAZ-UZLBHIALSA-N 2 1 343.515 3.131 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001071998195 1355065309 /nfs/dbraw/zinc/06/53/09/1355065309.db2.gz HHYRGHXNVDHLKX-DOTOQJQBSA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001071998195 1355065315 /nfs/dbraw/zinc/06/53/15/1355065315.db2.gz HHYRGHXNVDHLKX-DOTOQJQBSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C[NH2+]CC1CC1 ZINC001072309252 1355231965 /nfs/dbraw/zinc/23/19/65/1355231965.db2.gz GBLFLHZVJFEXPP-WMZOPIPTSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)C)C2 ZINC001073116592 1355605793 /nfs/dbraw/zinc/60/57/93/1355605793.db2.gz VQVVEBWSKKZFTA-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCC(C)C)C2 ZINC001073116592 1355605796 /nfs/dbraw/zinc/60/57/96/1355605796.db2.gz VQVVEBWSKKZFTA-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCC(C)C)C2 ZINC001073116592 1355605798 /nfs/dbraw/zinc/60/57/98/1355605798.db2.gz VQVVEBWSKKZFTA-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)[C@@H]2C)C1 ZINC001074684651 1356224326 /nfs/dbraw/zinc/22/43/26/1356224326.db2.gz ZLWAMCRGDMHAQE-SXLOBPIMSA-N 2 1 347.547 3.044 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001074693449 1356224501 /nfs/dbraw/zinc/22/45/01/1356224501.db2.gz ASZSPZVCXONMCS-UHOSZYNNSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001074812072 1356250983 /nfs/dbraw/zinc/25/09/83/1356250983.db2.gz WDDUZBYUZVRRKX-WDSOQIARSA-N 2 1 335.536 3.020 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099126843 1363639373 /nfs/dbraw/zinc/63/93/73/1363639373.db2.gz YLXIFUPEWFRFHQ-GBXWSJCFSA-N 2 1 337.552 3.290 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCCC1)[NH+](C)C ZINC001099126909 1363639537 /nfs/dbraw/zinc/63/95/37/1363639537.db2.gz ZHLMIKOBHOWSLG-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001082544547 1358057160 /nfs/dbraw/zinc/05/71/60/1358057160.db2.gz HYLHDLKWLAFKLQ-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001082559335 1358057164 /nfs/dbraw/zinc/05/71/64/1358057164.db2.gz BNBOBKFGFBPRGS-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084701028 1358285504 /nfs/dbraw/zinc/28/55/04/1358285504.db2.gz LAICNWBAFZFLFD-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084751946 1358300353 /nfs/dbraw/zinc/30/03/53/1358300353.db2.gz KXICJOPSHHMEFP-WOJBJXKFSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC001084953514 1358353689 /nfs/dbraw/zinc/35/36/89/1358353689.db2.gz RCQCSLRHNLWLEQ-QRVBRYPASA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC(C)(C)C)[C@H]2C1 ZINC001084953514 1358353692 /nfs/dbraw/zinc/35/36/92/1358353692.db2.gz RCQCSLRHNLWLEQ-QRVBRYPASA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC(C)(C)C)[C@H]2C1 ZINC001084953514 1358353695 /nfs/dbraw/zinc/35/36/95/1358353695.db2.gz RCQCSLRHNLWLEQ-QRVBRYPASA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC001084963379 1358355768 /nfs/dbraw/zinc/35/57/68/1358355768.db2.gz QDPOHUGXOCKKGX-QYZOEREBSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[N@H+](CCC(C)(C)C)[C@H]2C1 ZINC001084963379 1358355773 /nfs/dbraw/zinc/35/57/73/1358355773.db2.gz QDPOHUGXOCKKGX-QYZOEREBSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[N@@H+](CCC(C)(C)C)[C@H]2C1 ZINC001084963379 1358355775 /nfs/dbraw/zinc/35/57/75/1358355775.db2.gz QDPOHUGXOCKKGX-QYZOEREBSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2=CCCCC2)CC[N@H+]1C ZINC001085309372 1358462009 /nfs/dbraw/zinc/46/20/09/1358462009.db2.gz MDGKMFSPRQECBU-IJXRJRJASA-N 2 1 347.547 3.234 20 0 EGADMP CC(C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085308272 1358462285 /nfs/dbraw/zinc/46/22/85/1358462285.db2.gz KOCUWADQMJAWBE-GUDVDZBRSA-N 2 1 335.536 3.209 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCC1CCCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001085695926 1358691815 /nfs/dbraw/zinc/69/18/15/1358691815.db2.gz VIUSXGISKLVMQJ-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCCC1CCC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085724222 1358712942 /nfs/dbraw/zinc/71/29/42/1358712942.db2.gz QLEMTWULBSTPAF-LJQANCHMSA-N 2 1 340.471 3.061 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCCC2CCC2)C1 ZINC001085778940 1358753485 /nfs/dbraw/zinc/75/34/85/1358753485.db2.gz KMINZHQYFMRBJR-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCCC2CCC2)C1 ZINC001085778940 1358753488 /nfs/dbraw/zinc/75/34/88/1358753488.db2.gz KMINZHQYFMRBJR-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCCC2CCC2)C1 ZINC001085778940 1358753490 /nfs/dbraw/zinc/75/34/90/1358753490.db2.gz KMINZHQYFMRBJR-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085782571 1358758244 /nfs/dbraw/zinc/75/82/44/1358758244.db2.gz XUZJZRIHWVAADI-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782571 1358758247 /nfs/dbraw/zinc/75/82/47/1358758247.db2.gz XUZJZRIHWVAADI-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782571 1358758251 /nfs/dbraw/zinc/75/82/51/1358758251.db2.gz XUZJZRIHWVAADI-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085856168 1358824220 /nfs/dbraw/zinc/82/42/20/1358824220.db2.gz SRTDQHOFSCWSLW-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001085856168 1358824222 /nfs/dbraw/zinc/82/42/22/1358824222.db2.gz SRTDQHOFSCWSLW-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001085856168 1358824226 /nfs/dbraw/zinc/82/42/26/1358824226.db2.gz SRTDQHOFSCWSLW-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCC1 ZINC001085918647 1358878520 /nfs/dbraw/zinc/87/85/20/1358878520.db2.gz JKJAHVSKUBXHCD-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCC1 ZINC001085918647 1358878525 /nfs/dbraw/zinc/87/85/25/1358878525.db2.gz JKJAHVSKUBXHCD-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCC1 ZINC001085918647 1358878533 /nfs/dbraw/zinc/87/85/33/1358878533.db2.gz JKJAHVSKUBXHCD-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001085987734 1358939154 /nfs/dbraw/zinc/93/91/54/1358939154.db2.gz KKWRRXXUIRKZGD-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001085987734 1358939160 /nfs/dbraw/zinc/93/91/60/1358939160.db2.gz KKWRRXXUIRKZGD-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCCC1 ZINC001085987734 1358939163 /nfs/dbraw/zinc/93/91/63/1358939163.db2.gz KKWRRXXUIRKZGD-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001086221685 1359031440 /nfs/dbraw/zinc/03/14/40/1359031440.db2.gz FMVYAJQJJNDVOM-ZGXWSNOMSA-N 2 1 347.547 3.068 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C[C@@H]1O ZINC001183991571 1387379171 /nfs/dbraw/zinc/37/91/71/1387379171.db2.gz LMFSKEWAADVTFZ-LMNJBCLMSA-N 2 1 330.516 3.237 20 0 EGADMP C[C@@H]1C[NH+](C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC001183991571 1387379172 /nfs/dbraw/zinc/37/91/72/1387379172.db2.gz LMFSKEWAADVTFZ-LMNJBCLMSA-N 2 1 330.516 3.237 20 0 EGADMP C[C@@H]1C[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC001183991571 1387379173 /nfs/dbraw/zinc/37/91/73/1387379173.db2.gz LMFSKEWAADVTFZ-LMNJBCLMSA-N 2 1 330.516 3.237 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086694147 1359187386 /nfs/dbraw/zinc/18/73/86/1359187386.db2.gz FBYSWAGYYPOJHH-ZCNNSNEGSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086921154 1359248209 /nfs/dbraw/zinc/24/82/09/1359248209.db2.gz IYQBXNIVULZDJJ-MOPGFXCFSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001086926708 1359251364 /nfs/dbraw/zinc/25/13/64/1359251364.db2.gz HTCOVHKAMRDFLY-MSOLQXFVSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC2(C[C@H]1C)CC[NH+](C(C)C)CC2 ZINC001086946024 1359266916 /nfs/dbraw/zinc/26/69/16/1359266916.db2.gz ODORAQHTOVALLJ-QGZVFWFLSA-N 2 1 346.519 3.118 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1CC(C)C ZINC001087590915 1359546777 /nfs/dbraw/zinc/54/67/77/1359546777.db2.gz CXBFSCRFEVMUMR-JKSUJKDBSA-N 2 1 337.533 3.048 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@H+]1CC(C)C ZINC001087590915 1359546780 /nfs/dbraw/zinc/54/67/80/1359546780.db2.gz CXBFSCRFEVMUMR-JKSUJKDBSA-N 2 1 337.533 3.048 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CCC1=CCCCC1 ZINC001087626193 1359562391 /nfs/dbraw/zinc/56/23/91/1359562391.db2.gz OBVVIDGSJLTGBX-XUVXKRRUSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CCC1=CCCCC1 ZINC001087626193 1359562393 /nfs/dbraw/zinc/56/23/93/1359562393.db2.gz OBVVIDGSJLTGBX-XUVXKRRUSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CCC1=CCCCC1 ZINC001087626193 1359562395 /nfs/dbraw/zinc/56/23/95/1359562395.db2.gz OBVVIDGSJLTGBX-XUVXKRRUSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CCC1=CCCCC1 ZINC001087626193 1359562398 /nfs/dbraw/zinc/56/23/98/1359562398.db2.gz OBVVIDGSJLTGBX-XUVXKRRUSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CCCC1CCC1 ZINC001087699854 1359598795 /nfs/dbraw/zinc/59/87/95/1359598795.db2.gz OVQFABRBXZPTTC-FRYIKTPZSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CCCC1CCC1 ZINC001087699854 1359598799 /nfs/dbraw/zinc/59/87/99/1359598799.db2.gz OVQFABRBXZPTTC-FRYIKTPZSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CCCC1CCC1 ZINC001087699854 1359598802 /nfs/dbraw/zinc/59/88/02/1359598802.db2.gz OVQFABRBXZPTTC-FRYIKTPZSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)[C@@H]1CC ZINC001087792059 1359648147 /nfs/dbraw/zinc/64/81/47/1359648147.db2.gz LAZAOFUSPGVCEA-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CC2)[C@@H]1CC ZINC001087792059 1359648148 /nfs/dbraw/zinc/64/81/48/1359648148.db2.gz LAZAOFUSPGVCEA-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@@H]1CC ZINC001087792059 1359648153 /nfs/dbraw/zinc/64/81/53/1359648153.db2.gz LAZAOFUSPGVCEA-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCC1CCCCC1 ZINC001087796683 1359650532 /nfs/dbraw/zinc/65/05/32/1359650532.db2.gz JUIPZYYBNUBBLL-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCC1CCCCC1 ZINC001087796683 1359650537 /nfs/dbraw/zinc/65/05/37/1359650537.db2.gz JUIPZYYBNUBBLL-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCC1CCCCC1 ZINC001087796683 1359650539 /nfs/dbraw/zinc/65/05/39/1359650539.db2.gz JUIPZYYBNUBBLL-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1 ZINC001088394543 1359870811 /nfs/dbraw/zinc/87/08/11/1359870811.db2.gz JBSFNWUQFKIMMC-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCCCC[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001088413280 1359884112 /nfs/dbraw/zinc/88/41/12/1359884112.db2.gz BXVYYQASBIJZHQ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001088424941 1359893751 /nfs/dbraw/zinc/89/37/51/1359893751.db2.gz JPLKVKXNXURCSN-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001088431266 1359898740 /nfs/dbraw/zinc/89/87/40/1359898740.db2.gz NZNHJCYPBFGPTK-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001089188719 1360238478 /nfs/dbraw/zinc/23/84/78/1360238478.db2.gz BGXGGSBGRBTTCF-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCC1)C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001089188719 1360238482 /nfs/dbraw/zinc/23/84/82/1360238482.db2.gz BGXGGSBGRBTTCF-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCC1)C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001089188719 1360238486 /nfs/dbraw/zinc/23/84/86/1360238486.db2.gz BGXGGSBGRBTTCF-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406123 1360404234 /nfs/dbraw/zinc/40/42/34/1360404234.db2.gz HQQRXQJWKGNDND-IAGOWNOFSA-N 2 1 346.519 3.167 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406123 1360404238 /nfs/dbraw/zinc/40/42/38/1360404238.db2.gz HQQRXQJWKGNDND-IAGOWNOFSA-N 2 1 346.519 3.167 20 0 EGADMP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089473307 1360456417 /nfs/dbraw/zinc/45/64/17/1360456417.db2.gz VIPDHLRMAPZZBM-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089473307 1360456418 /nfs/dbraw/zinc/45/64/18/1360456418.db2.gz VIPDHLRMAPZZBM-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089473307 1360456419 /nfs/dbraw/zinc/45/64/19/1360456419.db2.gz VIPDHLRMAPZZBM-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C(C)C)CC(C)(C)C1 ZINC001089511164 1360482857 /nfs/dbraw/zinc/48/28/57/1360482857.db2.gz NBUADDVUZUUUGS-QZTJIDSGSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C(C)C)CC(C)(C)C1 ZINC001089511164 1360482858 /nfs/dbraw/zinc/48/28/58/1360482858.db2.gz NBUADDVUZUUUGS-QZTJIDSGSA-N 2 1 337.552 3.265 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC)CC(C)(C)C1 ZINC001089538582 1360496736 /nfs/dbraw/zinc/49/67/36/1360496736.db2.gz XDFAENSNLYHGII-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC)CC(C)(C)C1 ZINC001089538582 1360496737 /nfs/dbraw/zinc/49/67/37/1360496737.db2.gz XDFAENSNLYHGII-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC)CC(C)(C)C1 ZINC001089538582 1360496738 /nfs/dbraw/zinc/49/67/38/1360496738.db2.gz XDFAENSNLYHGII-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCCC3CCC3)CC(C)(C)C2)C1 ZINC001089558196 1360506444 /nfs/dbraw/zinc/50/64/44/1360506444.db2.gz FPEGRMOVUNIUHE-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCCC3CCC3)CC(C)(C)C2)C1 ZINC001089558196 1360506447 /nfs/dbraw/zinc/50/64/47/1360506447.db2.gz FPEGRMOVUNIUHE-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCCC3CCC3)CC(C)(C)C2)C1 ZINC001089558196 1360506450 /nfs/dbraw/zinc/50/64/50/1360506450.db2.gz FPEGRMOVUNIUHE-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001089674840 1360583530 /nfs/dbraw/zinc/58/35/30/1360583530.db2.gz FBPYKLADKNCYEM-GOSISDBHSA-N 2 1 345.531 3.031 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001089710081 1360614212 /nfs/dbraw/zinc/61/42/12/1360614212.db2.gz ANQTVXPQNJZTFD-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001091377781 1361068681 /nfs/dbraw/zinc/06/86/81/1361068681.db2.gz AEHYXCADCNLQLF-MHJFOBGBSA-N 2 1 349.563 3.316 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001184578076 1387497524 /nfs/dbraw/zinc/49/75/24/1387497524.db2.gz QPNMLEDBQSRQQV-FNYRVFDFSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071087 1361288551 /nfs/dbraw/zinc/28/85/51/1361288551.db2.gz FYIWPBUGGLWAAS-DYXWJJEUSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071087 1361288553 /nfs/dbraw/zinc/28/85/53/1361288553.db2.gz FYIWPBUGGLWAAS-DYXWJJEUSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071087 1361288557 /nfs/dbraw/zinc/28/85/57/1361288557.db2.gz FYIWPBUGGLWAAS-DYXWJJEUSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)(C)CC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092302111 1361359419 /nfs/dbraw/zinc/35/94/19/1361359419.db2.gz UBCGSLCZCLDQPS-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676927 1361439694 /nfs/dbraw/zinc/43/96/94/1361439694.db2.gz PZBIXXFQVHTBRD-GGPKGHCWSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676927 1361439697 /nfs/dbraw/zinc/43/96/97/1361439697.db2.gz PZBIXXFQVHTBRD-GGPKGHCWSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676927 1361439699 /nfs/dbraw/zinc/43/96/99/1361439699.db2.gz PZBIXXFQVHTBRD-GGPKGHCWSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](C)C1 ZINC001094088628 1361736631 /nfs/dbraw/zinc/73/66/31/1361736631.db2.gz DUGQHBPOFFCNKE-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CC1)CC2 ZINC001094430376 1361799295 /nfs/dbraw/zinc/79/92/95/1361799295.db2.gz NIDGFJUQZUSQEA-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2 ZINC001094430376 1361799299 /nfs/dbraw/zinc/79/92/99/1361799299.db2.gz NIDGFJUQZUSQEA-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2 ZINC001094430376 1361799304 /nfs/dbraw/zinc/79/93/04/1361799304.db2.gz NIDGFJUQZUSQEA-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001095417410 1362133635 /nfs/dbraw/zinc/13/36/35/1362133635.db2.gz QHRVGVXFKQHNFJ-RNQOJCNYSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001095417410 1362133638 /nfs/dbraw/zinc/13/36/38/1362133638.db2.gz QHRVGVXFKQHNFJ-RNQOJCNYSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001095417410 1362133642 /nfs/dbraw/zinc/13/36/42/1362133642.db2.gz QHRVGVXFKQHNFJ-RNQOJCNYSA-N 2 1 347.547 3.019 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCC2)C1 ZINC001095904015 1362280493 /nfs/dbraw/zinc/28/04/93/1362280493.db2.gz WLFMARLBRHRXSJ-ZRNYENFQSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCC2)C1 ZINC001095904015 1362280495 /nfs/dbraw/zinc/28/04/95/1362280495.db2.gz WLFMARLBRHRXSJ-ZRNYENFQSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCC2)C1 ZINC001095904015 1362280497 /nfs/dbraw/zinc/28/04/97/1362280497.db2.gz WLFMARLBRHRXSJ-ZRNYENFQSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001097065790 1362830923 /nfs/dbraw/zinc/83/09/23/1362830923.db2.gz FCYMWVBXPZKJSG-ZRNYENFQSA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001097065790 1362830928 /nfs/dbraw/zinc/83/09/28/1362830928.db2.gz FCYMWVBXPZKJSG-ZRNYENFQSA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001097065790 1362830931 /nfs/dbraw/zinc/83/09/31/1362830931.db2.gz FCYMWVBXPZKJSG-ZRNYENFQSA-N 2 1 345.531 3.081 20 0 EGADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCCCC1)C2 ZINC001098760950 1363459867 /nfs/dbraw/zinc/45/98/67/1363459867.db2.gz MFSLUGVSFMZFTF-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCCCC1)C2 ZINC001098760950 1363459870 /nfs/dbraw/zinc/45/98/70/1363459870.db2.gz MFSLUGVSFMZFTF-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCCCCC1)C2 ZINC001098760950 1363459871 /nfs/dbraw/zinc/45/98/71/1363459871.db2.gz MFSLUGVSFMZFTF-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCCCC1)C2 ZINC001098760950 1363459874 /nfs/dbraw/zinc/45/98/74/1363459874.db2.gz MFSLUGVSFMZFTF-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CC1)C2 ZINC001098875458 1363501325 /nfs/dbraw/zinc/50/13/25/1363501325.db2.gz PIPDBZCVHWYXQW-ZVDOUQERSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1CC1)C2 ZINC001098875458 1363501329 /nfs/dbraw/zinc/50/13/29/1363501329.db2.gz PIPDBZCVHWYXQW-ZVDOUQERSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1CC1)C2 ZINC001098875458 1363501333 /nfs/dbraw/zinc/50/13/33/1363501333.db2.gz PIPDBZCVHWYXQW-ZVDOUQERSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCC(C)(C)C)C3)CC[N@H+]1C ZINC001098996397 1363562309 /nfs/dbraw/zinc/56/23/09/1363562309.db2.gz FSGLNSQBYVYARW-NTLWEQJWSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCC(C)(C)C)C3)CC[NH+]1C ZINC001098996397 1363562312 /nfs/dbraw/zinc/56/23/12/1363562312.db2.gz FSGLNSQBYVYARW-NTLWEQJWSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCC(C)(C)C)C3)CC[NH+]1C ZINC001098996397 1363562318 /nfs/dbraw/zinc/56/23/18/1363562318.db2.gz FSGLNSQBYVYARW-NTLWEQJWSA-N 2 1 349.563 3.124 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001099079189 1363610930 /nfs/dbraw/zinc/61/09/30/1363610930.db2.gz AWAKMPRUZYYCDY-KZNAEPCWSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001099079189 1363610934 /nfs/dbraw/zinc/61/09/34/1363610934.db2.gz AWAKMPRUZYYCDY-KZNAEPCWSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001099079189 1363610935 /nfs/dbraw/zinc/61/09/35/1363610935.db2.gz AWAKMPRUZYYCDY-KZNAEPCWSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CC1 ZINC001099106602 1363625246 /nfs/dbraw/zinc/62/52/46/1363625246.db2.gz JWSGMKHZNWVBCY-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001099106602 1363625249 /nfs/dbraw/zinc/62/52/49/1363625249.db2.gz JWSGMKHZNWVBCY-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001099106602 1363625251 /nfs/dbraw/zinc/62/52/51/1363625251.db2.gz JWSGMKHZNWVBCY-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099116743 1363632903 /nfs/dbraw/zinc/63/29/03/1363632903.db2.gz VFMRNLLMFVDRSM-MSOLQXFVSA-N 2 1 339.568 3.226 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCC(C)C ZINC001099140258 1363649634 /nfs/dbraw/zinc/64/96/34/1363649634.db2.gz TUIBXYIHZMTKNF-SFHVURJKSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCC(C)C ZINC001099140258 1363649636 /nfs/dbraw/zinc/64/96/36/1363649636.db2.gz TUIBXYIHZMTKNF-SFHVURJKSA-N 2 1 348.535 3.235 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001099200022 1363688722 /nfs/dbraw/zinc/68/87/22/1363688722.db2.gz VFWNFGWSYAVFAY-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001099204291 1363691632 /nfs/dbraw/zinc/69/16/32/1363691632.db2.gz YBTNITFYQXRLTQ-LIXSYLKWSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001099230048 1363703096 /nfs/dbraw/zinc/70/30/96/1363703096.db2.gz PWUNYZXZHFJBCE-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCC(C)C)[NH+](C)C ZINC001099239620 1363708454 /nfs/dbraw/zinc/70/84/54/1363708454.db2.gz HUFCXPYDBWAZHN-MSOLQXFVSA-N 2 1 339.568 3.370 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001099240914 1363709569 /nfs/dbraw/zinc/70/95/69/1363709569.db2.gz VQJMJLBUOUWLDO-LXORQPIJSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001099240914 1363709572 /nfs/dbraw/zinc/70/95/72/1363709572.db2.gz VQJMJLBUOUWLDO-LXORQPIJSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001099240914 1363709574 /nfs/dbraw/zinc/70/95/74/1363709574.db2.gz VQJMJLBUOUWLDO-LXORQPIJSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1cncn1C ZINC001099324516 1363751188 /nfs/dbraw/zinc/75/11/88/1363751188.db2.gz NKXCXBHJKRRSJW-SJLPKXTDSA-N 2 1 348.535 3.006 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099355298 1363769360 /nfs/dbraw/zinc/76/93/60/1363769360.db2.gz ZKVXRVPHGREMQI-KRWDZBQOSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001099355298 1363769362 /nfs/dbraw/zinc/76/93/62/1363769362.db2.gz ZKVXRVPHGREMQI-KRWDZBQOSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001099355298 1363769365 /nfs/dbraw/zinc/76/93/65/1363769365.db2.gz ZKVXRVPHGREMQI-KRWDZBQOSA-N 2 1 325.541 3.124 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C(C)C)C1 ZINC001099436267 1363796983 /nfs/dbraw/zinc/79/69/83/1363796983.db2.gz KGQWVGHOKTUTJL-ZWOKBUDYSA-N 2 1 346.519 3.023 20 0 EGADMP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001100405688 1364104268 /nfs/dbraw/zinc/10/42/68/1364104268.db2.gz IZNDBTVXVFIPOA-QLOJAFMTSA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001100456866 1364120476 /nfs/dbraw/zinc/12/04/76/1364120476.db2.gz GFGCXQCJBOGWCW-FHERZECASA-N 2 1 349.494 3.101 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]Cc2c(C)cccc2C)C1 ZINC001100459199 1364121620 /nfs/dbraw/zinc/12/16/20/1364121620.db2.gz UVMBFRHSLFKFCQ-UHFFFAOYSA-N 2 1 345.531 3.018 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100471259 1364126987 /nfs/dbraw/zinc/12/69/87/1364126987.db2.gz WJDKREADXIFXJL-DAWZGUTISA-N 2 1 337.552 3.027 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NCC2CC([NH2+]CC3CCCCCC3)C2)C1 ZINC001100681168 1364216003 /nfs/dbraw/zinc/21/60/03/1364216003.db2.gz ZFJINIJIBHPJKX-UHFFFAOYSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001100720100 1364234353 /nfs/dbraw/zinc/23/43/53/1364234353.db2.gz GNKRDWCRHRIWRY-UHFFFAOYSA-N 2 1 346.519 3.071 20 0 EGADMP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@@H+](CCC3CCCC3)C[C@@]2(C)C1 ZINC001101437030 1364562853 /nfs/dbraw/zinc/56/28/53/1364562853.db2.gz ZEXOPTQJINXLFD-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001101551274 1364613950 /nfs/dbraw/zinc/61/39/50/1364613950.db2.gz BNQOZELKWZBVCA-UHFFFAOYSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001101582296 1364634965 /nfs/dbraw/zinc/63/49/65/1364634965.db2.gz JGYAABZLKFLUKO-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102119613 1364869788 /nfs/dbraw/zinc/86/97/88/1364869788.db2.gz WAAFKGHLCODTJJ-CQQBRXBZSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001102285541 1364985051 /nfs/dbraw/zinc/98/50/51/1364985051.db2.gz WLBIWQFTAPUICE-SJLPKXTDSA-N 2 1 349.519 3.219 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C)[NH+](CC)CC ZINC001102356411 1365020191 /nfs/dbraw/zinc/02/01/91/1365020191.db2.gz JDKCLTODUUNENU-MISYRCLQSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102428695 1365050091 /nfs/dbraw/zinc/05/00/91/1365050091.db2.gz OWSFOHPZRDDWEY-RCCFBDPRSA-N 2 1 348.535 3.127 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102428695 1365050093 /nfs/dbraw/zinc/05/00/93/1365050093.db2.gz OWSFOHPZRDDWEY-RCCFBDPRSA-N 2 1 348.535 3.127 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001324647136 1387717067 /nfs/dbraw/zinc/71/70/67/1387717067.db2.gz LUPOWIZCILXNEC-UTKZUKDTSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001324647136 1387717068 /nfs/dbraw/zinc/71/70/68/1387717068.db2.gz LUPOWIZCILXNEC-UTKZUKDTSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001324647136 1387717069 /nfs/dbraw/zinc/71/70/69/1387717069.db2.gz LUPOWIZCILXNEC-UTKZUKDTSA-N 2 1 345.531 3.306 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102467684 1365072495 /nfs/dbraw/zinc/07/24/95/1365072495.db2.gz SSBLWTCANANEOK-IEBWSBKVSA-N 2 1 348.535 3.236 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102467684 1365072499 /nfs/dbraw/zinc/07/24/99/1365072499.db2.gz SSBLWTCANANEOK-IEBWSBKVSA-N 2 1 348.535 3.236 20 0 EGADMP CCCC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](CCC)CCC)[C@H](C)C1 ZINC001102507807 1365091606 /nfs/dbraw/zinc/09/16/06/1365091606.db2.gz PPROBBUESPTHRJ-RTBURBONSA-N 2 1 339.568 3.373 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001185446463 1387719102 /nfs/dbraw/zinc/71/91/02/1387719102.db2.gz MKXGVFZPCDKIRB-JCMVTEASSA-N 2 1 337.552 3.149 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001103086481 1365373434 /nfs/dbraw/zinc/37/34/34/1365373434.db2.gz FIEAPHYMKURBOE-VAMGGRTRSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001103086481 1365373439 /nfs/dbraw/zinc/37/34/39/1365373439.db2.gz FIEAPHYMKURBOE-VAMGGRTRSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001103086481 1365373442 /nfs/dbraw/zinc/37/34/42/1365373442.db2.gz FIEAPHYMKURBOE-VAMGGRTRSA-N 2 1 349.563 3.290 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103149597 1365410776 /nfs/dbraw/zinc/41/07/76/1365410776.db2.gz DDGQFKOPKBNUDT-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001103149597 1365410780 /nfs/dbraw/zinc/41/07/80/1365410780.db2.gz DDGQFKOPKBNUDT-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001103149597 1365410781 /nfs/dbraw/zinc/41/07/81/1365410781.db2.gz DDGQFKOPKBNUDT-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103234648 1365447450 /nfs/dbraw/zinc/44/74/50/1365447450.db2.gz ZSSCNKKSUULFAM-LJJUJYJISA-N 2 1 346.519 3.012 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103234648 1365447452 /nfs/dbraw/zinc/44/74/52/1365447452.db2.gz ZSSCNKKSUULFAM-LJJUJYJISA-N 2 1 346.519 3.012 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001103376407 1365523966 /nfs/dbraw/zinc/52/39/66/1365523966.db2.gz ZFYJLSBULWEHMF-IAGOWNOFSA-N 2 1 349.519 3.219 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001103755406 1365765895 /nfs/dbraw/zinc/76/58/95/1365765895.db2.gz GCKHHRLDEFCCSH-WSTZPKSXSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001103755406 1365765901 /nfs/dbraw/zinc/76/59/01/1365765901.db2.gz GCKHHRLDEFCCSH-WSTZPKSXSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001103755406 1365765904 /nfs/dbraw/zinc/76/59/04/1365765904.db2.gz GCKHHRLDEFCCSH-WSTZPKSXSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001104196090 1365948033 /nfs/dbraw/zinc/94/80/33/1365948033.db2.gz ILBRBFDUIBKLGJ-QRVBRYPASA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104291878 1365977706 /nfs/dbraw/zinc/97/77/06/1365977706.db2.gz YHZMOVCCOXXZCK-AQNXPRMDSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CC2)C1 ZINC001104753630 1366157245 /nfs/dbraw/zinc/15/72/45/1366157245.db2.gz LFNULEVNXQGKIM-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001185764343 1387793349 /nfs/dbraw/zinc/79/33/49/1387793349.db2.gz YHEHGKJHVIRBCV-VANUVFSVSA-N 2 1 337.552 3.147 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105517975 1366505482 /nfs/dbraw/zinc/50/54/82/1366505482.db2.gz NTYCPRDSVWVPCA-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001105518512 1366505921 /nfs/dbraw/zinc/50/59/21/1366505921.db2.gz ZZTPOOCQUHXGQO-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[C@H]2CCC[N@H+]2C)CCC1 ZINC001105544868 1366521755 /nfs/dbraw/zinc/52/17/55/1366521755.db2.gz WUKYBCNARKBOEI-MOPGFXCFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C1(C[NH2+]CC=C(C)C)CCC1 ZINC001105571931 1366538507 /nfs/dbraw/zinc/53/85/07/1366538507.db2.gz CDUKTYROQDHNJY-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105575438 1366540571 /nfs/dbraw/zinc/54/05/71/1366540571.db2.gz ZEAVJNMXNFYFBF-OALUTQOASA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105577307 1366541454 /nfs/dbraw/zinc/54/14/54/1366541454.db2.gz UFHVLPZLUHRABI-MOPGFXCFSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)CCC1 ZINC001105579507 1366542815 /nfs/dbraw/zinc/54/28/15/1366542815.db2.gz PRVOBUREIGHXHE-LJQANCHMSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCC1CCCCCC1 ZINC001105941948 1366600532 /nfs/dbraw/zinc/60/05/32/1366600532.db2.gz RTWINCPJTXPCFB-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CCCC2)[C@H](C)C1 ZINC001106210689 1366624492 /nfs/dbraw/zinc/62/44/92/1366624492.db2.gz AEMXOHFMBBSEAP-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106715923 1366779307 /nfs/dbraw/zinc/77/93/07/1366779307.db2.gz PQKBOJWDDKHUDG-SJLPKXTDSA-N 2 1 348.535 3.127 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CCCC2)[C@H](C)C1 ZINC001107035846 1366862131 /nfs/dbraw/zinc/86/21/31/1366862131.db2.gz AZYNNXSNWVOWTH-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442635 1366965181 /nfs/dbraw/zinc/96/51/81/1366965181.db2.gz HHYSGKUYJHZITA-NLWGTHIKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442635 1366965184 /nfs/dbraw/zinc/96/51/84/1366965184.db2.gz HHYSGKUYJHZITA-NLWGTHIKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107442635 1366965185 /nfs/dbraw/zinc/96/51/85/1366965185.db2.gz HHYSGKUYJHZITA-NLWGTHIKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001109306144 1367047296 /nfs/dbraw/zinc/04/72/96/1367047296.db2.gz VELGCFPSJDOKCU-YVSOQSDKSA-N 2 1 347.547 3.185 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001109306144 1367047302 /nfs/dbraw/zinc/04/73/02/1367047302.db2.gz VELGCFPSJDOKCU-YVSOQSDKSA-N 2 1 347.547 3.185 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001109306144 1367047307 /nfs/dbraw/zinc/04/73/07/1367047307.db2.gz VELGCFPSJDOKCU-YVSOQSDKSA-N 2 1 347.547 3.185 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609573 1367069862 /nfs/dbraw/zinc/06/98/62/1367069862.db2.gz XQTATYIPBDCOCN-LGVOAYDWSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609573 1367069866 /nfs/dbraw/zinc/06/98/66/1367069866.db2.gz XQTATYIPBDCOCN-LGVOAYDWSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609573 1367069872 /nfs/dbraw/zinc/06/98/72/1367069872.db2.gz XQTATYIPBDCOCN-LGVOAYDWSA-N 2 1 347.547 3.045 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609409 1367070331 /nfs/dbraw/zinc/07/03/31/1367070331.db2.gz QTJVYGMBSZNKFE-QKNQBKEWSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609409 1367070334 /nfs/dbraw/zinc/07/03/34/1367070334.db2.gz QTJVYGMBSZNKFE-QKNQBKEWSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609409 1367070337 /nfs/dbraw/zinc/07/03/37/1367070337.db2.gz QTJVYGMBSZNKFE-QKNQBKEWSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCCC1)CC2 ZINC001107617532 1367076021 /nfs/dbraw/zinc/07/60/21/1367076021.db2.gz LLPUWFYNNWQCOC-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCCC1)CC2 ZINC001107617532 1367076024 /nfs/dbraw/zinc/07/60/24/1367076024.db2.gz LLPUWFYNNWQCOC-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCCC1)CC2 ZINC001107617532 1367076028 /nfs/dbraw/zinc/07/60/28/1367076028.db2.gz LLPUWFYNNWQCOC-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@]1(C)CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001324958415 1387851633 /nfs/dbraw/zinc/85/16/33/1387851633.db2.gz SSMRDDBVWIKPJD-FQEVSTJZSA-N 2 1 339.568 3.373 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCCC1CCC1)CC2 ZINC001107646288 1367090066 /nfs/dbraw/zinc/09/00/66/1367090066.db2.gz GHMPKKJLVFCZOL-TZIWHRDSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCC1CCC1)CC2 ZINC001107646288 1367090072 /nfs/dbraw/zinc/09/00/72/1367090072.db2.gz GHMPKKJLVFCZOL-TZIWHRDSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC1CCC1)CC2 ZINC001107646288 1367090078 /nfs/dbraw/zinc/09/00/78/1367090078.db2.gz GHMPKKJLVFCZOL-TZIWHRDSSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109396405 1367103221 /nfs/dbraw/zinc/10/32/21/1367103221.db2.gz DIVXOTLZOHXPRJ-MIIYPZDFSA-N 2 1 347.547 3.042 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001109396405 1367103223 /nfs/dbraw/zinc/10/32/23/1367103223.db2.gz DIVXOTLZOHXPRJ-MIIYPZDFSA-N 2 1 347.547 3.042 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001109396405 1367103226 /nfs/dbraw/zinc/10/32/26/1367103226.db2.gz DIVXOTLZOHXPRJ-MIIYPZDFSA-N 2 1 347.547 3.042 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109419252 1367113386 /nfs/dbraw/zinc/11/33/86/1367113386.db2.gz LDCOSHSVHGWWAG-YRXWBPOGSA-N 2 1 349.563 3.409 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001109419252 1367113387 /nfs/dbraw/zinc/11/33/87/1367113387.db2.gz LDCOSHSVHGWWAG-YRXWBPOGSA-N 2 1 349.563 3.409 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001109419252 1367113389 /nfs/dbraw/zinc/11/33/89/1367113389.db2.gz LDCOSHSVHGWWAG-YRXWBPOGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCCC3CCCC3)C2)CC[N@H+]1C ZINC001190246450 1367207903 /nfs/dbraw/zinc/20/79/03/1367207903.db2.gz CGCFVXBGWBZZLE-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCCC3CCCC3)C2)CC[NH+]1C ZINC001190246450 1367207910 /nfs/dbraw/zinc/20/79/10/1367207910.db2.gz CGCFVXBGWBZZLE-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCCC3CCCC3)C2)CC[NH+]1C ZINC001190246450 1367207912 /nfs/dbraw/zinc/20/79/12/1367207912.db2.gz CGCFVXBGWBZZLE-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CCCC3CCCC3)C2)CC[N@H+]1C ZINC001190246452 1367208808 /nfs/dbraw/zinc/20/88/08/1367208808.db2.gz CGCFVXBGWBZZLE-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCCC3CCCC3)C2)CC[NH+]1C ZINC001190246452 1367208813 /nfs/dbraw/zinc/20/88/13/1367208813.db2.gz CGCFVXBGWBZZLE-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCCC3CCCC3)C2)CC[NH+]1C ZINC001190246452 1367208819 /nfs/dbraw/zinc/20/88/19/1367208819.db2.gz CGCFVXBGWBZZLE-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001109714574 1367289476 /nfs/dbraw/zinc/28/94/76/1367289476.db2.gz PEBMBCSELYLKGK-PKEXKMAMSA-N 2 1 335.536 3.185 20 0 EGADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C)[NH+](CC)CC ZINC001109714634 1367290176 /nfs/dbraw/zinc/29/01/76/1367290176.db2.gz QVOXUVVJRQRNAF-XDNAFOTISA-N 2 1 337.552 3.265 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190743217 1367340699 /nfs/dbraw/zinc/34/06/99/1367340699.db2.gz IPAGLQUKLACJBK-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001190743217 1367340702 /nfs/dbraw/zinc/34/07/02/1367340702.db2.gz IPAGLQUKLACJBK-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001190743217 1367340704 /nfs/dbraw/zinc/34/07/04/1367340704.db2.gz IPAGLQUKLACJBK-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1)[NH+](C)C ZINC001190777871 1367348095 /nfs/dbraw/zinc/34/80/95/1367348095.db2.gz XGAGMFRTCHFBEY-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1cccc(C)c1 ZINC001109868301 1367370420 /nfs/dbraw/zinc/37/04/20/1367370420.db2.gz KCKULJPMJCZMGB-RNQOJCNYSA-N 2 1 343.515 3.119 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001190996216 1367397495 /nfs/dbraw/zinc/39/74/95/1367397495.db2.gz ATPNVOFIXBKAHP-MAUKXSAKSA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001190996216 1367397499 /nfs/dbraw/zinc/39/74/99/1367397499.db2.gz ATPNVOFIXBKAHP-MAUKXSAKSA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001190996216 1367397504 /nfs/dbraw/zinc/39/75/04/1367397504.db2.gz ATPNVOFIXBKAHP-MAUKXSAKSA-N 2 1 349.494 3.150 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191550762 1367525756 /nfs/dbraw/zinc/52/57/56/1367525756.db2.gz GZCYABBPECEETJ-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001191550762 1367525759 /nfs/dbraw/zinc/52/57/59/1367525759.db2.gz GZCYABBPECEETJ-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001191550762 1367525762 /nfs/dbraw/zinc/52/57/62/1367525762.db2.gz GZCYABBPECEETJ-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)[NH+]1CCCC1 ZINC001110161903 1367534842 /nfs/dbraw/zinc/53/48/42/1367534842.db2.gz XXMCUMNRTJBGET-FUMNGEBKSA-N 2 1 347.547 3.019 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684667 1367560025 /nfs/dbraw/zinc/56/00/25/1367560025.db2.gz TVFWZTYLNXPNPO-QGZVFWFLSA-N 2 1 337.552 3.220 20 0 EGADMP CC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001108765823 1367581542 /nfs/dbraw/zinc/58/15/42/1367581542.db2.gz SYFWTTDMVHRZBX-OISZBXDOSA-N 2 1 347.547 3.044 20 0 EGADMP CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191948149 1367646256 /nfs/dbraw/zinc/64/62/56/1367646256.db2.gz MDCGCTSZEBMSSE-OALUTQOASA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191948149 1367646260 /nfs/dbraw/zinc/64/62/60/1367646260.db2.gz MDCGCTSZEBMSSE-OALUTQOASA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191948149 1367646262 /nfs/dbraw/zinc/64/62/62/1367646262.db2.gz MDCGCTSZEBMSSE-OALUTQOASA-N 2 1 335.536 3.116 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH+](C)CCCC3CCCC3)C2)CC[N@H+]1C ZINC001191967477 1367651862 /nfs/dbraw/zinc/65/18/62/1367651862.db2.gz INBQDEDNFIFINO-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCCC3CCCC3)C2)CC[NH+]1C ZINC001191967477 1367651869 /nfs/dbraw/zinc/65/18/69/1367651869.db2.gz INBQDEDNFIFINO-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCCC3CCCC3)C2)CC[NH+]1C ZINC001191967477 1367651874 /nfs/dbraw/zinc/65/18/74/1367651874.db2.gz INBQDEDNFIFINO-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1)[NH+](CC)CC ZINC001192326870 1367753610 /nfs/dbraw/zinc/75/36/10/1367753610.db2.gz UBGYHVSQIKIDTB-MSOLQXFVSA-N 2 1 337.552 3.076 20 0 EGADMP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192857516 1367890112 /nfs/dbraw/zinc/89/01/12/1367890112.db2.gz JNCUJPUPZXKYQD-SFHVURJKSA-N 2 1 334.508 3.085 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192857516 1367890115 /nfs/dbraw/zinc/89/01/15/1367890115.db2.gz JNCUJPUPZXKYQD-SFHVURJKSA-N 2 1 334.508 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC001192858686 1367890238 /nfs/dbraw/zinc/89/02/38/1367890238.db2.gz RXWYMOIMWFZUDO-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001192858686 1367890242 /nfs/dbraw/zinc/89/02/42/1367890242.db2.gz RXWYMOIMWFZUDO-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCCC2)CCC1 ZINC001110664801 1367905771 /nfs/dbraw/zinc/90/57/71/1367905771.db2.gz YNFYMBWMZVZTPO-QRVBRYPASA-N 2 1 347.547 3.163 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193204299 1367965564 /nfs/dbraw/zinc/96/55/64/1367965564.db2.gz FCDJPEJKIIUICK-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193561493 1368062661 /nfs/dbraw/zinc/06/26/61/1368062661.db2.gz ZODXHFHCYHIHSL-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCCC2)C1 ZINC001194266252 1368219429 /nfs/dbraw/zinc/21/94/29/1368219429.db2.gz MWZCEZCFGRTBSB-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001194266252 1368219432 /nfs/dbraw/zinc/21/94/32/1368219432.db2.gz MWZCEZCFGRTBSB-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001194266252 1368219435 /nfs/dbraw/zinc/21/94/35/1368219435.db2.gz MWZCEZCFGRTBSB-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274496 1368221645 /nfs/dbraw/zinc/22/16/45/1368221645.db2.gz IROZYGUKDNRMGB-PMACEKPBSA-N 2 1 345.531 3.258 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274496 1368221649 /nfs/dbraw/zinc/22/16/49/1368221649.db2.gz IROZYGUKDNRMGB-PMACEKPBSA-N 2 1 345.531 3.258 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293570 1368225724 /nfs/dbraw/zinc/22/57/24/1368225724.db2.gz IBXMGYBGUYWFCJ-OALUTQOASA-N 2 1 349.494 3.150 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194293570 1368225727 /nfs/dbraw/zinc/22/57/27/1368225727.db2.gz IBXMGYBGUYWFCJ-OALUTQOASA-N 2 1 349.494 3.150 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194293570 1368225730 /nfs/dbraw/zinc/22/57/30/1368225730.db2.gz IBXMGYBGUYWFCJ-OALUTQOASA-N 2 1 349.494 3.150 20 0 EGADMP CC1CCC(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC[NH+](C)C)C3)CC1 ZINC001111298712 1368258577 /nfs/dbraw/zinc/25/85/77/1368258577.db2.gz MZRCKEUMCUQJPI-WKXIVMOISA-N 2 1 349.563 3.266 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCC(C)C)C1 ZINC001186421082 1387938865 /nfs/dbraw/zinc/93/88/65/1387938865.db2.gz XWJREHPBGSLBQT-GOSISDBHSA-N 2 1 325.541 3.125 20 0 EGADMP C[N@@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CCCC1)C2)C1CCC1 ZINC001111778928 1368457580 /nfs/dbraw/zinc/45/75/80/1368457580.db2.gz OZLUWHUPGZTZKP-RXVVDRJESA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1CCCC1)C2)C1CCC1 ZINC001111778928 1368457585 /nfs/dbraw/zinc/45/75/85/1368457585.db2.gz OZLUWHUPGZTZKP-RXVVDRJESA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1CCCC1)C2)C1CCC1 ZINC001111778928 1368457587 /nfs/dbraw/zinc/45/75/87/1368457587.db2.gz OZLUWHUPGZTZKP-RXVVDRJESA-N 2 1 347.547 3.022 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785834 1368490073 /nfs/dbraw/zinc/49/00/73/1368490073.db2.gz XNEOLQVVKLHDJV-GHOSXJJBSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001195785834 1368490076 /nfs/dbraw/zinc/49/00/76/1368490076.db2.gz XNEOLQVVKLHDJV-GHOSXJJBSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001195785834 1368490079 /nfs/dbraw/zinc/49/00/79/1368490079.db2.gz XNEOLQVVKLHDJV-GHOSXJJBSA-N 2 1 335.536 3.140 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCC(C)(C)C)C3)CC1 ZINC001111860176 1368510302 /nfs/dbraw/zinc/51/03/02/1368510302.db2.gz UCMMTLKJOHFTIH-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)C[C@H](C)n2ccnc2CC)CC1 ZINC001195899986 1368512533 /nfs/dbraw/zinc/51/25/33/1368512533.db2.gz FYIPZHUKWQGOCK-MJRGOJFPSA-N 2 1 346.519 3.287 20 0 EGADMP CC/C=C\CC[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001195899986 1368512538 /nfs/dbraw/zinc/51/25/38/1368512538.db2.gz FYIPZHUKWQGOCK-MJRGOJFPSA-N 2 1 346.519 3.287 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001195899986 1368512541 /nfs/dbraw/zinc/51/25/41/1368512541.db2.gz FYIPZHUKWQGOCK-MJRGOJFPSA-N 2 1 346.519 3.287 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001111870593 1368517817 /nfs/dbraw/zinc/51/78/17/1368517817.db2.gz FKWNEXMHIHNJSH-WHGMVNQHSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001111870593 1368517824 /nfs/dbraw/zinc/51/78/24/1368517824.db2.gz FKWNEXMHIHNJSH-WHGMVNQHSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001111870593 1368517826 /nfs/dbraw/zinc/51/78/26/1368517826.db2.gz FKWNEXMHIHNJSH-WHGMVNQHSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001111886692 1368530298 /nfs/dbraw/zinc/53/02/98/1368530298.db2.gz PMTXUBCKCZAECU-PXNSSMCTSA-N 2 1 346.519 3.167 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001111886692 1368530303 /nfs/dbraw/zinc/53/03/03/1368530303.db2.gz PMTXUBCKCZAECU-PXNSSMCTSA-N 2 1 346.519 3.167 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196155659 1368559073 /nfs/dbraw/zinc/55/90/73/1368559073.db2.gz QFLLPOASEUTJBY-HCZHMGAMSA-N 2 1 349.563 3.245 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001196155659 1368559078 /nfs/dbraw/zinc/55/90/78/1368559078.db2.gz QFLLPOASEUTJBY-HCZHMGAMSA-N 2 1 349.563 3.245 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001196155659 1368559082 /nfs/dbraw/zinc/55/90/82/1368559082.db2.gz QFLLPOASEUTJBY-HCZHMGAMSA-N 2 1 349.563 3.245 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196163685 1368559642 /nfs/dbraw/zinc/55/96/42/1368559642.db2.gz SADRDOLTTMWQFI-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001196163685 1368559645 /nfs/dbraw/zinc/55/96/45/1368559645.db2.gz SADRDOLTTMWQFI-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001196163685 1368559648 /nfs/dbraw/zinc/55/96/48/1368559648.db2.gz SADRDOLTTMWQFI-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCC)C1 ZINC001111952392 1368572307 /nfs/dbraw/zinc/57/23/07/1368572307.db2.gz GELRJMROCJTTMD-LGYYHMKYSA-N 2 1 335.536 3.045 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCC)C1 ZINC001111952392 1368572311 /nfs/dbraw/zinc/57/23/11/1368572311.db2.gz GELRJMROCJTTMD-LGYYHMKYSA-N 2 1 335.536 3.045 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CCC)C1 ZINC001111952392 1368572313 /nfs/dbraw/zinc/57/23/13/1368572313.db2.gz GELRJMROCJTTMD-LGYYHMKYSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001196382643 1368603544 /nfs/dbraw/zinc/60/35/44/1368603544.db2.gz RBSDMCHGZJIVNB-PLNGDYQASA-N 2 1 340.471 3.147 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCC1)C2 ZINC001112004364 1368607635 /nfs/dbraw/zinc/60/76/35/1368607635.db2.gz YHYQMWUPCXHEFY-FPOVZHCZSA-N 2 1 347.547 3.023 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1=CCCCC1)C2 ZINC001112009743 1368613405 /nfs/dbraw/zinc/61/34/05/1368613405.db2.gz RSURQARXMGRKCB-FPOVZHCZSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1=CCCCC1)C2 ZINC001112009743 1368613409 /nfs/dbraw/zinc/61/34/09/1368613409.db2.gz RSURQARXMGRKCB-FPOVZHCZSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1=CCCCC1)C2 ZINC001112009743 1368613413 /nfs/dbraw/zinc/61/34/13/1368613413.db2.gz RSURQARXMGRKCB-FPOVZHCZSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC1CCCC1)C2 ZINC001112009643 1368613521 /nfs/dbraw/zinc/61/35/21/1368613521.db2.gz MRTQRIPKWAXOJG-FPOVZHCZSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC1CCCC1)C2 ZINC001112009643 1368613522 /nfs/dbraw/zinc/61/35/22/1368613522.db2.gz MRTQRIPKWAXOJG-FPOVZHCZSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC1CCCC1)C2 ZINC001112009643 1368613527 /nfs/dbraw/zinc/61/35/27/1368613527.db2.gz MRTQRIPKWAXOJG-FPOVZHCZSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196656573 1368657360 /nfs/dbraw/zinc/65/73/60/1368657360.db2.gz RLZJFKGGSLPRDN-AATRIKPKSA-N 2 1 335.536 3.142 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197331313 1368789549 /nfs/dbraw/zinc/78/95/49/1368789549.db2.gz JOWFQGVLBMLRQT-SFFCAUCYSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001197331313 1368789550 /nfs/dbraw/zinc/78/95/50/1368789550.db2.gz JOWFQGVLBMLRQT-SFFCAUCYSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001197331313 1368789553 /nfs/dbraw/zinc/78/95/53/1368789553.db2.gz JOWFQGVLBMLRQT-SFFCAUCYSA-N 2 1 335.536 3.140 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001197331548 1368790135 /nfs/dbraw/zinc/79/01/35/1368790135.db2.gz MOKRCALZDXYEFG-LJQANCHMSA-N 2 1 337.552 3.366 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001197768451 1368893159 /nfs/dbraw/zinc/89/31/59/1368893159.db2.gz NRXWDUKHSJWQQQ-IBGZPJMESA-N 2 1 337.552 3.366 20 0 EGADMP CCCCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001197768451 1368893164 /nfs/dbraw/zinc/89/31/64/1368893164.db2.gz NRXWDUKHSJWQQQ-IBGZPJMESA-N 2 1 337.552 3.366 20 0 EGADMP CCCCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001197768451 1368893166 /nfs/dbraw/zinc/89/31/66/1368893166.db2.gz NRXWDUKHSJWQQQ-IBGZPJMESA-N 2 1 337.552 3.366 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](CC=C(C)C)CC1 ZINC001197794485 1368897911 /nfs/dbraw/zinc/89/79/11/1368897911.db2.gz JSWIVQNDQAMRMX-UHFFFAOYSA-N 2 1 337.552 3.389 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)CC)C2 ZINC001112557348 1368926765 /nfs/dbraw/zinc/92/67/65/1368926765.db2.gz BLLZWWITLIFGPM-QGELVWPYSA-N 2 1 349.563 3.293 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2=CCCCC2)C1 ZINC001112586168 1368938543 /nfs/dbraw/zinc/93/85/43/1368938543.db2.gz KRVDDBGKKQROFS-FPOVZHCZSA-N 2 1 347.547 3.045 20 0 EGADMP CCC(CC)C[N@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198364389 1369016536 /nfs/dbraw/zinc/01/65/36/1369016536.db2.gz TUIOBOSKNNGBQF-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[NH+](CCCC(C)(C)C)CC1 ZINC001112965158 1369112475 /nfs/dbraw/zinc/11/24/75/1369112475.db2.gz FMPYSZVELIVOAM-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001113160384 1369235431 /nfs/dbraw/zinc/23/54/31/1369235431.db2.gz AAHWLSKMFSTXDJ-GOSISDBHSA-N 2 1 343.515 3.156 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(OC)ccc2OC(F)F)C1 ZINC001199844250 1369279679 /nfs/dbraw/zinc/27/96/79/1369279679.db2.gz WUNYZZWSWSEKRH-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(OC)ccc2OC(F)F)C1 ZINC001199844250 1369279681 /nfs/dbraw/zinc/27/96/81/1369279681.db2.gz WUNYZZWSWSEKRH-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c[nH]1 ZINC001200534079 1369385805 /nfs/dbraw/zinc/38/58/05/1369385805.db2.gz MUMNKRIKKZQALN-HNNXBMFYSA-N 2 1 341.455 3.117 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C(C)C ZINC001113441663 1369431410 /nfs/dbraw/zinc/43/14/10/1369431410.db2.gz MGPVXXYPAFREJJ-QUCCMNQESA-N 2 1 345.531 3.258 20 0 EGADMP COc1ccc(C[NH2+]C2CCN(CCOC(C)C)CC2)c(Cl)c1 ZINC001200970879 1369459930 /nfs/dbraw/zinc/45/99/30/1369459930.db2.gz DODLGXGDJIMOMS-UHFFFAOYSA-N 2 1 340.895 3.328 20 0 EGADMP CC[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1)c1ccccc1 ZINC001201314196 1369516084 /nfs/dbraw/zinc/51/60/84/1369516084.db2.gz PIWAWRMJZMGURA-LJQANCHMSA-N 2 1 345.531 3.449 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001201328077 1369521200 /nfs/dbraw/zinc/52/12/00/1369521200.db2.gz VWAKYFOWVMXSBA-UHFFFAOYSA-N 2 1 335.536 3.188 20 0 EGADMP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001201399949 1369537258 /nfs/dbraw/zinc/53/72/58/1369537258.db2.gz LPBFWEVVUFPLGO-UEKDZROGSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001202156976 1369703500 /nfs/dbraw/zinc/70/35/00/1369703500.db2.gz RHWWWCNOXHSNQL-PXNSSMCTSA-N 2 1 349.563 3.410 20 0 EGADMP COC(=O)CCCN1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001202228192 1369718293 /nfs/dbraw/zinc/71/82/93/1369718293.db2.gz NEBUBIZYHARSDQ-BJLQDIEVSA-N 2 1 330.472 3.050 20 0 EGADMP COC(=O)CCC[N@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001202228192 1369718296 /nfs/dbraw/zinc/71/82/96/1369718296.db2.gz NEBUBIZYHARSDQ-BJLQDIEVSA-N 2 1 330.472 3.050 20 0 EGADMP COC(=O)CCC[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001202228192 1369718300 /nfs/dbraw/zinc/71/83/00/1369718300.db2.gz NEBUBIZYHARSDQ-BJLQDIEVSA-N 2 1 330.472 3.050 20 0 EGADMP COC(=O)CCC[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001202228192 1369718304 /nfs/dbraw/zinc/71/83/04/1369718304.db2.gz NEBUBIZYHARSDQ-BJLQDIEVSA-N 2 1 330.472 3.050 20 0 EGADMP COC(=O)CCC[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001202228192 1369718308 /nfs/dbraw/zinc/71/83/08/1369718308.db2.gz NEBUBIZYHARSDQ-BJLQDIEVSA-N 2 1 330.472 3.050 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001202714124 1369862033 /nfs/dbraw/zinc/86/20/33/1369862033.db2.gz CBVVUYOPHOOOEA-UHFFFAOYSA-N 2 1 346.519 3.167 20 0 EGADMP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001202764498 1369883379 /nfs/dbraw/zinc/88/33/79/1369883379.db2.gz NZKVVZCIHBKCFE-SFFCAUCYSA-N 2 1 335.536 3.186 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(CC)CC)C1 ZINC001186981044 1388034999 /nfs/dbraw/zinc/03/49/99/1388034999.db2.gz KGLYMYJGFNGWIN-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001202872804 1369914071 /nfs/dbraw/zinc/91/40/71/1369914071.db2.gz QFHOCGCKMOQVOC-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203102229 1369983318 /nfs/dbraw/zinc/98/33/18/1369983318.db2.gz HAJLWTXWEMGGPH-PIIXRYACSA-N 2 1 335.536 3.090 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[C@H]([NH2+]CC2CC2)C12CCC2 ZINC001203100936 1369983547 /nfs/dbraw/zinc/98/35/47/1369983547.db2.gz BVUODTUCTPNMRC-ZWKOTPCHSA-N 2 1 347.547 3.066 20 0 EGADMP Cc1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)cn1 ZINC001203109357 1369986224 /nfs/dbraw/zinc/98/62/24/1369986224.db2.gz PEPKWGQPTAWQHC-UHFFFAOYSA-N 2 1 342.512 3.335 20 0 EGADMP C[N@@H+](Cc1cccc2nonc21)C1CCN(Cc2ccccc2)CC1 ZINC001203129047 1369991417 /nfs/dbraw/zinc/99/14/17/1369991417.db2.gz ZMRBHSFUUMFILO-UHFFFAOYSA-N 2 1 336.439 3.319 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccc5nonc54)C[C@@H]3C2)cc1 ZINC001203130122 1369992002 /nfs/dbraw/zinc/99/20/02/1369992002.db2.gz NZXDFSNNNPSAQS-KDURUIRLSA-N 2 1 348.450 3.095 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccc5nonc54)C[C@@H]3C2)cc1 ZINC001203130122 1369992010 /nfs/dbraw/zinc/99/20/10/1369992010.db2.gz NZXDFSNNNPSAQS-KDURUIRLSA-N 2 1 348.450 3.095 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccc5nonc54)C[C@@H]3C2)cc1 ZINC001203130122 1369992015 /nfs/dbraw/zinc/99/20/15/1369992015.db2.gz NZXDFSNNNPSAQS-KDURUIRLSA-N 2 1 348.450 3.095 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccc5nonc54)C[C@@H]3C2)cc1 ZINC001203130122 1369992020 /nfs/dbraw/zinc/99/20/20/1369992020.db2.gz NZXDFSNNNPSAQS-KDURUIRLSA-N 2 1 348.450 3.095 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21)C1CCCCC1 ZINC001114623922 1369998861 /nfs/dbraw/zinc/99/88/61/1369998861.db2.gz IDPVPKJBMKDTQK-RUYXUALKSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21)C1CCCCC1 ZINC001114623922 1369998864 /nfs/dbraw/zinc/99/88/64/1369998864.db2.gz IDPVPKJBMKDTQK-RUYXUALKSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21)C1CCCCC1 ZINC001114623922 1369998868 /nfs/dbraw/zinc/99/88/68/1369998868.db2.gz IDPVPKJBMKDTQK-RUYXUALKSA-N 2 1 349.563 3.124 20 0 EGADMP CCCCC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001187034992 1388043436 /nfs/dbraw/zinc/04/34/36/1388043436.db2.gz RQSIWRYMFFDXOP-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417718 1370118071 /nfs/dbraw/zinc/11/80/71/1370118071.db2.gz BMOUQZYJKKPGEN-ZWKOTPCHSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+][C@@H](CC)c2ccccc2)CC1 ZINC001203442761 1370128704 /nfs/dbraw/zinc/12/87/04/1370128704.db2.gz NPHZJDGKUNLXFC-IBGZPJMESA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]Cc2ccccc2C(C)C)CC1 ZINC001203459442 1370133708 /nfs/dbraw/zinc/13/37/08/1370133708.db2.gz FCAYTNOKWCWMRX-UHFFFAOYSA-N 2 1 345.531 3.232 20 0 EGADMP COc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c(OC)c1 ZINC001203476828 1370139615 /nfs/dbraw/zinc/13/96/15/1370139615.db2.gz FZCJVSIHWGISHQ-UHFFFAOYSA-N 2 1 341.455 3.146 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203640518 1370196807 /nfs/dbraw/zinc/19/68/07/1370196807.db2.gz CURIFRAZVSLGRD-RBUKOAKNSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203641437 1370198248 /nfs/dbraw/zinc/19/82/48/1370198248.db2.gz QZFDXFBSZSNRGR-OALUTQOASA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203642788 1370198590 /nfs/dbraw/zinc/19/85/90/1370198590.db2.gz YUBHWXSUAYJMHZ-OALUTQOASA-N 2 1 349.563 3.316 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001203903795 1370307593 /nfs/dbraw/zinc/30/75/93/1370307593.db2.gz NQRAEQLBCGKAAQ-OVKVCFKUSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001203904371 1370308388 /nfs/dbraw/zinc/30/83/88/1370308388.db2.gz UDPPPLLJBSPPGN-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203910093 1370310977 /nfs/dbraw/zinc/31/09/77/1370310977.db2.gz CDICKSMCDDGFIS-HXUWFJFHSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH2+]CC/C=C/c2ccccc2)CC1 ZINC001203925509 1370317253 /nfs/dbraw/zinc/31/72/53/1370317253.db2.gz QLDIGWUZEBGKLC-YRNVUSSQSA-N 2 1 343.515 3.011 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC001204267380 1370427038 /nfs/dbraw/zinc/42/70/38/1370427038.db2.gz RMHQHZLNLMJWSX-ICSRJNTNSA-N 2 1 332.488 3.018 20 0 EGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC001204415732 1370471206 /nfs/dbraw/zinc/47/12/06/1370471206.db2.gz FFGDLMSGYVHHAA-GJZGRUSLSA-N 2 1 328.378 3.359 20 0 EGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC001204424219 1370473382 /nfs/dbraw/zinc/47/33/82/1370473382.db2.gz ONRMZFZJQOMGKS-UHFFFAOYSA-N 2 1 333.382 3.314 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(F)c1C)C2 ZINC001204508865 1370498208 /nfs/dbraw/zinc/49/82/08/1370498208.db2.gz KTOPXWMQFXYEBO-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(F)c1C)C2 ZINC001204508865 1370498214 /nfs/dbraw/zinc/49/82/14/1370498214.db2.gz KTOPXWMQFXYEBO-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(F)c1C)C2 ZINC001204508865 1370498218 /nfs/dbraw/zinc/49/82/18/1370498218.db2.gz KTOPXWMQFXYEBO-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(F)c1C)C2 ZINC001204508865 1370498221 /nfs/dbraw/zinc/49/82/21/1370498221.db2.gz KTOPXWMQFXYEBO-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(F)c1C)C2 ZINC001204508865 1370498224 /nfs/dbraw/zinc/49/82/24/1370498224.db2.gz KTOPXWMQFXYEBO-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCCCC1 ZINC001115535350 1370532097 /nfs/dbraw/zinc/53/20/97/1370532097.db2.gz SJFQLJQDODCXDL-IRXDYDNUSA-N 2 1 341.515 3.016 20 0 EGADMP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115535246 1370532216 /nfs/dbraw/zinc/53/22/16/1370532216.db2.gz OVQPWFTVWUTTFB-GOSISDBHSA-N 2 1 337.552 3.458 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1 ZINC001115535096 1370532368 /nfs/dbraw/zinc/53/23/68/1370532368.db2.gz JQUJRYMNMUGVTK-CTWPCTMYSA-N 2 1 349.563 3.314 20 0 EGADMP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001115537015 1370534287 /nfs/dbraw/zinc/53/42/87/1370534287.db2.gz RVVHCPRBZHKWRK-RTBURBONSA-N 2 1 347.547 3.070 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115537135 1370534354 /nfs/dbraw/zinc/53/43/54/1370534354.db2.gz XWMPEQSNQGMHCD-RBUKOAKNSA-N 2 1 347.547 3.236 20 0 EGADMP Brc1ccsc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735412 1370559286 /nfs/dbraw/zinc/55/92/86/1370559286.db2.gz UAELDFVPJRNHMP-UHFFFAOYSA-N 2 1 329.307 3.476 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CCCCC1 ZINC001115571795 1370574057 /nfs/dbraw/zinc/57/40/57/1370574057.db2.gz PDZZAIBVZRUNFO-SFHVURJKSA-N 2 1 337.552 3.029 20 0 EGADMP CC[C@@H](C)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579335 1370582615 /nfs/dbraw/zinc/58/26/15/1370582615.db2.gz IPQQCZHRNKSEBL-MSOLQXFVSA-N 2 1 337.552 3.316 20 0 EGADMP COc1ccc(CC[N@@H+](C)Cc2ccc3c(c2)CC[NH2+]C3)cc1OC ZINC001204870428 1370594038 /nfs/dbraw/zinc/59/40/38/1370594038.db2.gz SUGDPOQRXFTEHY-UHFFFAOYSA-N 2 1 340.467 3.024 20 0 EGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC001204877418 1370594671 /nfs/dbraw/zinc/59/46/71/1370594671.db2.gz INKDPFCDMVDHRS-SUMDDJOVSA-N 2 1 345.437 3.384 20 0 EGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC001204877418 1370594675 /nfs/dbraw/zinc/59/46/75/1370594675.db2.gz INKDPFCDMVDHRS-SUMDDJOVSA-N 2 1 345.437 3.384 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC[C@@](C)([NH3+])C3)cc2)cc1 ZINC001204946934 1370613235 /nfs/dbraw/zinc/61/32/35/1370613235.db2.gz UUOCUWSAXYWAOI-OAQYLSRUSA-N 2 1 338.451 3.453 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[C@@](C)([NH3+])C3)cc2)cc1 ZINC001204946934 1370613238 /nfs/dbraw/zinc/61/32/38/1370613238.db2.gz UUOCUWSAXYWAOI-OAQYLSRUSA-N 2 1 338.451 3.453 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]C[C@H](C)CC(C)C)CCCCC1 ZINC001115630485 1370624117 /nfs/dbraw/zinc/62/41/17/1370624117.db2.gz PANSEJRCLQWION-QGZVFWFLSA-N 2 1 348.535 3.282 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC001205221174 1370686535 /nfs/dbraw/zinc/68/65/35/1370686535.db2.gz QKDIGQGMTDDQJU-HXUWFJFHSA-N 2 1 328.431 3.168 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)CC1 ZINC001205241777 1370692053 /nfs/dbraw/zinc/69/20/53/1370692053.db2.gz VPASVHOEGGGRSD-HXUWFJFHSA-N 2 1 344.430 3.294 20 0 EGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(OCc3ccccc3)nc2)CC1 ZINC001205281322 1370704881 /nfs/dbraw/zinc/70/48/81/1370704881.db2.gz SGOUPBYVJYJXIW-HXUWFJFHSA-N 2 1 325.456 3.364 20 0 EGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)CC1 ZINC001205281322 1370704889 /nfs/dbraw/zinc/70/48/89/1370704889.db2.gz SGOUPBYVJYJXIW-HXUWFJFHSA-N 2 1 325.456 3.364 20 0 EGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC001205289976 1370708410 /nfs/dbraw/zinc/70/84/10/1370708410.db2.gz WMMKKWQJCHLRJH-SFHVURJKSA-N 2 1 327.472 3.243 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC001205289976 1370708414 /nfs/dbraw/zinc/70/84/14/1370708414.db2.gz WMMKKWQJCHLRJH-SFHVURJKSA-N 2 1 327.472 3.243 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)ccc1OC(F)(F)F ZINC001205296504 1370711088 /nfs/dbraw/zinc/71/10/88/1370711088.db2.gz QIPLYYPZFGMZDH-HNNXBMFYSA-N 2 1 332.366 3.297 20 0 EGADMP CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001205297232 1370711484 /nfs/dbraw/zinc/71/14/84/1370711484.db2.gz QIZRPZJCQZKJLI-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC1CCCC1 ZINC001205303446 1370714281 /nfs/dbraw/zinc/71/42/81/1370714281.db2.gz FSKXOBMBYQZFEG-RDJZCZTQSA-N 2 1 332.488 3.433 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc3cc(Br)ccc3n2)C[C@@H]1C[NH3+] ZINC001205305871 1370714948 /nfs/dbraw/zinc/71/49/48/1370714948.db2.gz TUBFCMNIOXWJMJ-JSGCOSHPSA-N 2 1 348.288 3.414 20 0 EGADMP COc1ccc2c(OC)ccc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)c2c1 ZINC001205318292 1370720029 /nfs/dbraw/zinc/72/00/29/1370720029.db2.gz TYRNULWBRADDEG-GDBMZVCRSA-N 2 1 328.456 3.274 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc3ncc(Br)cc3c2)C[C@H]1C[NH3+] ZINC001205317680 1370720146 /nfs/dbraw/zinc/72/01/46/1370720146.db2.gz PLKWYUNQFHUGAO-IUODEOHRSA-N 2 1 348.288 3.414 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cnc3cc(Br)ccc3c2)C[C@H]1C[NH3+] ZINC001205319476 1370721251 /nfs/dbraw/zinc/72/12/51/1370721251.db2.gz ZXKXGXKYAPUCHL-IUODEOHRSA-N 2 1 348.288 3.414 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001205464285 1370763635 /nfs/dbraw/zinc/76/36/35/1370763635.db2.gz NANIOQDDZCLGMD-KKHYBRAUSA-N 2 1 349.563 3.149 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001205483440 1370768599 /nfs/dbraw/zinc/76/85/99/1370768599.db2.gz DHXUUCVZKXHYHK-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001325942778 1388093760 /nfs/dbraw/zinc/09/37/60/1388093760.db2.gz OHWOQBVKKMVDMD-CMKODMSKSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001325942778 1388093766 /nfs/dbraw/zinc/09/37/66/1388093766.db2.gz OHWOQBVKKMVDMD-CMKODMSKSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001325942778 1388093772 /nfs/dbraw/zinc/09/37/72/1388093772.db2.gz OHWOQBVKKMVDMD-CMKODMSKSA-N 2 1 349.563 3.076 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205559934 1370791364 /nfs/dbraw/zinc/79/13/64/1370791364.db2.gz XLJUJHNZXZMRSG-FQEVSTJZSA-N 2 1 344.478 3.201 20 0 EGADMP Cc1ccc(Br)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205559450 1370791434 /nfs/dbraw/zinc/79/14/34/1370791434.db2.gz QYXHQCVOCKWJKK-OAHLLOKOSA-N 2 1 329.257 3.410 20 0 EGADMP Cc1nc(-c2ccccc2)ncc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205570083 1370794898 /nfs/dbraw/zinc/79/48/98/1370794898.db2.gz FGVFLOQQOPYLPD-LJQANCHMSA-N 2 1 328.435 3.105 20 0 EGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)cc21 ZINC001205591991 1370804096 /nfs/dbraw/zinc/80/40/96/1370804096.db2.gz PLLNTWLCZDRURF-HXUWFJFHSA-N 3 1 331.479 3.341 20 0 EGADMP CC(C)(C)C(=O)Nc1ccccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205592316 1370804182 /nfs/dbraw/zinc/80/41/82/1370804182.db2.gz SMVHEAYTAIHQPH-IBGZPJMESA-N 2 1 335.467 3.324 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCCN2Cc2ccccc2)CC[C@H]1C[NH3+] ZINC001205599816 1370806940 /nfs/dbraw/zinc/80/69/40/1370806940.db2.gz AFKBKBNWVCVIJZ-HLAWJBBLSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cc(Cl)ncc2Br)CC[C@@H]1C[NH3+] ZINC001205627197 1370816359 /nfs/dbraw/zinc/81/63/59/1370816359.db2.gz NTHZDXDWEMDQKS-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)ncc2Br)CC[C@@H]1C[NH3+] ZINC001205627197 1370816362 /nfs/dbraw/zinc/81/63/62/1370816362.db2.gz NTHZDXDWEMDQKS-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP COc1cccc(Br)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205651631 1370828858 /nfs/dbraw/zinc/82/88/58/1370828858.db2.gz HSTPAHFUXXNIPQ-QWHCGFSZSA-N 2 1 341.293 3.265 20 0 EGADMP CCOC(=O)c1c(Cl)cccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205652034 1370828898 /nfs/dbraw/zinc/82/88/98/1370828898.db2.gz NQCWNZRNGRYTPP-UONOGXRCSA-N 2 1 338.879 3.324 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CC[C@H]1C[NH3+] ZINC001205651916 1370829155 /nfs/dbraw/zinc/82/91/55/1370829155.db2.gz LQWVJQMBTKWTAG-ZBFHGGJFSA-N 2 1 332.879 3.333 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CC[C@H]1C[NH3+] ZINC001205654198 1370830599 /nfs/dbraw/zinc/83/05/99/1370830599.db2.gz WRGHXXNJONKIGM-HOCLYGCPSA-N 2 1 332.879 3.333 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001205664137 1370833760 /nfs/dbraw/zinc/83/37/60/1370833760.db2.gz MHYHNEGNZLPBCI-FQEVSTJZSA-N 2 1 326.440 3.155 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC001205672323 1370838255 /nfs/dbraw/zinc/83/82/55/1370838255.db2.gz IVEZFPVFTJLDDS-FQEVSTJZSA-N 2 1 326.440 3.155 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CCCc1cccc(Br)c1 ZINC001205903001 1370906021 /nfs/dbraw/zinc/90/60/21/1370906021.db2.gz MKJLTUQBOHNVDF-HIFRSBDPSA-N 2 1 325.294 3.441 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001116507716 1370926455 /nfs/dbraw/zinc/92/64/55/1370926455.db2.gz RSLMWRABMYOMDB-FXUDXRNXSA-N 2 1 346.462 3.206 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cc(Br)cnc2Cl)CCC[C@@H]1C[NH3+] ZINC001206003474 1370935296 /nfs/dbraw/zinc/93/52/96/1370935296.db2.gz IIUOCWZJABMZSZ-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc(Br)cnc2Cl)CCC[C@@H]1C[NH3+] ZINC001206003474 1370935300 /nfs/dbraw/zinc/93/53/00/1370935300.db2.gz IIUOCWZJABMZSZ-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Br)c1 ZINC001206003256 1370935594 /nfs/dbraw/zinc/93/55/94/1370935594.db2.gz GDPLHYZLZPIESF-STQMWFEESA-N 2 1 341.293 3.265 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(OC3CCOCC3)cc2)CCC[C@H]1C[NH3+] ZINC001206003430 1370935744 /nfs/dbraw/zinc/93/57/44/1370935744.db2.gz HTTLIOLWUJCTQF-AEFFLSMTSA-N 2 1 332.488 3.051 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2c(C(F)(F)F)nc3sccn23)CCC[C@H]1C[NH3+] ZINC001206013508 1370937683 /nfs/dbraw/zinc/93/76/83/1370937683.db2.gz RTQGSVKOBZXJOJ-MNOVXSKESA-N 2 1 346.422 3.221 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc(OCc3ccccc3)no2)CCC[C@H]1C[NH3+] ZINC001206012099 1370937701 /nfs/dbraw/zinc/93/77/01/1370937701.db2.gz ITYYOPVQWASEIV-RDJZCZTQSA-N 2 1 329.444 3.060 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc(OCc3ccccc3)no2)CCC[C@@H]1C[NH3+] ZINC001206012098 1370938647 /nfs/dbraw/zinc/93/86/47/1370938647.db2.gz ITYYOPVQWASEIV-NVXWUHKLSA-N 2 1 329.444 3.060 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2Br)CCC[C@H]1C[NH3+] ZINC001206026847 1370942444 /nfs/dbraw/zinc/94/24/44/1370942444.db2.gz UJASRDSXGXPOCU-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cn2)CCC[C@H]1C[NH3+] ZINC001206036564 1370944874 /nfs/dbraw/zinc/94/48/74/1370944874.db2.gz LLFRWLAQKRQSPB-HKUYNNGSSA-N 2 1 339.483 3.467 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccnc2OCc2ccccc2)CCC[C@@H]1C[NH3+] ZINC001206036046 1370945320 /nfs/dbraw/zinc/94/53/20/1370945320.db2.gz FSQALNJAKZUBBX-IEBWSBKVSA-N 2 1 339.483 3.467 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)CCC[C@H]1C[NH3+] ZINC001206037509 1370945979 /nfs/dbraw/zinc/94/59/79/1370945979.db2.gz VZAVZXBRRJFKAK-UWVGGRQHSA-N 2 1 342.274 3.023 20 0 EGADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc2ncc(Br)cc2c1 ZINC001206262723 1371007276 /nfs/dbraw/zinc/00/72/76/1371007276.db2.gz FQCVZEMFSSLZSD-LBPRGKRZSA-N 2 1 334.261 3.181 20 0 EGADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc2ncc(Br)cc2c1 ZINC001206262723 1371007271 /nfs/dbraw/zinc/00/72/71/1371007271.db2.gz FQCVZEMFSSLZSD-LBPRGKRZSA-N 2 1 334.261 3.181 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(Cl)cnc2Br)CC1 ZINC001206318655 1371020305 /nfs/dbraw/zinc/02/03/05/1371020305.db2.gz SMYMCHROJUZUCE-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(Cl)cnc2Br)CC1 ZINC001206318655 1371020310 /nfs/dbraw/zinc/02/03/10/1371020310.db2.gz SMYMCHROJUZUCE-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP [NH3+]C[C@@]1(F)CCCCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001206335250 1371026340 /nfs/dbraw/zinc/02/63/40/1371026340.db2.gz DDWQXCJLRDUOBX-PMACEKPBSA-N 2 1 333.495 3.052 20 0 EGADMP COc1cnccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001206466239 1371063049 /nfs/dbraw/zinc/06/30/49/1371063049.db2.gz JYZNKKCHOVWPNB-UHFFFAOYSA-N 2 1 341.455 3.171 20 0 EGADMP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206548952 1371090341 /nfs/dbraw/zinc/09/03/41/1371090341.db2.gz SJGZXBOOOXTILB-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC001206549362 1371091718 /nfs/dbraw/zinc/09/17/18/1371091718.db2.gz LXLNAGGVRRPRSZ-LJQANCHMSA-N 2 1 326.444 3.220 20 0 EGADMP COc1cccc(-c2ncc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)cn2)c1 ZINC001206554023 1371092313 /nfs/dbraw/zinc/09/23/13/1371092313.db2.gz AJCWFLYJAIUEEX-HXUWFJFHSA-N 2 1 340.471 3.103 20 0 EGADMP COc1cccc(-c2ncc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)cn2)c1 ZINC001206554017 1371092792 /nfs/dbraw/zinc/09/27/92/1371092792.db2.gz AJCWFLYJAIUEEX-FQEVSTJZSA-N 2 1 340.471 3.103 20 0 EGADMP CCOc1cc(C(=O)OC)ccc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206583843 1371100767 /nfs/dbraw/zinc/10/07/67/1371100767.db2.gz XGFCIQYQCPJNDH-SFHVURJKSA-N 2 1 348.487 3.224 20 0 EGADMP CC(C)[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCC[NH2+]CC1 ZINC001206591617 1371101958 /nfs/dbraw/zinc/10/19/58/1371101958.db2.gz UELXBZJGPIYGDJ-AWEZNQCLSA-N 2 1 326.387 3.361 20 0 EGADMP COC(=O)c1cc2cc(C[N@@H+](C(C)C)[C@@H]3CCC[NH2+]CC3)ccc2[nH]1 ZINC001206599491 1371105666 /nfs/dbraw/zinc/10/56/66/1371105666.db2.gz SPFWUSCLKSSMKD-QGZVFWFLSA-N 2 1 343.471 3.307 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c(-c3ccccc3)nc3n2CCS3)C1 ZINC001206623603 1371111561 /nfs/dbraw/zinc/11/15/61/1371111561.db2.gz NTRFLPRJXNWJKB-HNNXBMFYSA-N 2 1 342.512 3.217 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2c[nH]c3cccc(Br)c23)C1 ZINC001206623463 1371111754 /nfs/dbraw/zinc/11/17/54/1371111754.db2.gz LNEDBRQTZZPWBS-LBPRGKRZSA-N 2 1 336.277 3.491 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c[nH]c3cccc(Br)c23)C1 ZINC001206623463 1371111760 /nfs/dbraw/zinc/11/17/60/1371111760.db2.gz LNEDBRQTZZPWBS-LBPRGKRZSA-N 2 1 336.277 3.491 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC(C[NH2+]CC(C)C)CC1)c1ccccc1 ZINC001206868766 1371196788 /nfs/dbraw/zinc/19/67/88/1371196788.db2.gz CRSYDOVKLFADII-FQEVSTJZSA-N 2 1 345.531 3.164 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001206952213 1371243130 /nfs/dbraw/zinc/24/31/30/1371243130.db2.gz DJPFOBOHZWZGAR-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953663 1371243490 /nfs/dbraw/zinc/24/34/90/1371243490.db2.gz YFUMJVWTDNFDNJ-FQEVSTJZSA-N 2 1 345.531 3.164 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@H+](C)C(C)C)CC2)c1 ZINC001206954464 1371244612 /nfs/dbraw/zinc/24/46/12/1371244612.db2.gz KARWMBFPLICZDD-GOSISDBHSA-N 2 1 345.531 3.224 20 0 EGADMP c1nc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)n2ccccc12 ZINC001207056917 1371279950 /nfs/dbraw/zinc/27/99/50/1371279950.db2.gz GWXZFALEWCUFQR-UHFFFAOYSA-N 2 1 346.478 3.432 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2cccnc2C)CC1 ZINC001207154928 1371313616 /nfs/dbraw/zinc/31/36/16/1371313616.db2.gz XEQQULTWBMMBHH-UHFFFAOYSA-N 2 1 332.536 3.020 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[NH+](CCOCc4ccccc4)C[C@@H]3C2)c1 ZINC001207231883 1371337243 /nfs/dbraw/zinc/33/72/43/1371337243.db2.gz VARIQQWLOFARAJ-RTBURBONSA-N 2 1 342.508 3.329 20 0 EGADMP CN(C[C@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC001207276085 1371347762 /nfs/dbraw/zinc/34/77/62/1371347762.db2.gz UCFHMNPRSJOZKN-MRXNPFEDSA-N 2 1 341.540 3.153 20 0 EGADMP COc1cc(C)ccc1OC1CC[NH+](CC(C)(C)C[NH+](C)C)CC1 ZINC001207281997 1371350824 /nfs/dbraw/zinc/35/08/24/1371350824.db2.gz BLBIMSUHANILQR-UHFFFAOYSA-N 2 1 334.504 3.435 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)CC(C)(C)C[NH+](C)C ZINC001207286873 1371351042 /nfs/dbraw/zinc/35/10/42/1371351042.db2.gz VZCITUIKGIZYGW-AZUAARDMSA-N 2 1 331.548 3.417 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@@H]4OCCC[C@@H]4C3)CC2)cc1 ZINC001207286746 1371351558 /nfs/dbraw/zinc/35/15/58/1371351558.db2.gz LNHKMZQQGXLKIY-RTWAWAEBSA-N 2 1 328.500 3.400 20 0 EGADMP COC(=O)[C@H](C(C)C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207294819 1371354159 /nfs/dbraw/zinc/35/41/59/1371354159.db2.gz VFONLPDOSBYGKI-IBGZPJMESA-N 2 1 332.488 3.028 20 0 EGADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC001119611905 1371375259 /nfs/dbraw/zinc/37/52/59/1371375259.db2.gz ZCPVWOMUWBWDOZ-ZDUSSCGKSA-N 2 1 340.805 3.065 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001207399178 1371384151 /nfs/dbraw/zinc/38/41/51/1371384151.db2.gz GJCCSPSZRAQSNS-IBGZPJMESA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001207399686 1371384974 /nfs/dbraw/zinc/38/49/74/1371384974.db2.gz QXCYVDYFYZZIMX-SJORKVTESA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+]1CCC(C[N@@H+]2CCn3nc(-c4ccc(Cl)cc4)cc3C2)CC1 ZINC001207400286 1371385281 /nfs/dbraw/zinc/38/52/81/1371385281.db2.gz CYZQKEJQNQQMEU-UHFFFAOYSA-N 2 1 344.890 3.361 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCn3nc(-c4ccc(Cl)cc4)cc3C2)CC1 ZINC001207400286 1371385283 /nfs/dbraw/zinc/38/52/83/1371385283.db2.gz CYZQKEJQNQQMEU-UHFFFAOYSA-N 2 1 344.890 3.361 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@H]1CCCOC1)CC2 ZINC001207463015 1371403010 /nfs/dbraw/zinc/40/30/10/1371403010.db2.gz DJELPRLEGKLBSL-IEBWSBKVSA-N 2 1 332.488 3.383 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207541174 1371430658 /nfs/dbraw/zinc/43/06/58/1371430658.db2.gz XGBZRHSVNWFNKT-MISYRCLQSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001207541174 1371430660 /nfs/dbraw/zinc/43/06/60/1371430660.db2.gz XGBZRHSVNWFNKT-MISYRCLQSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001207541174 1371430662 /nfs/dbraw/zinc/43/06/62/1371430662.db2.gz XGBZRHSVNWFNKT-MISYRCLQSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCCCC1 ZINC001120046380 1371468126 /nfs/dbraw/zinc/46/81/26/1371468126.db2.gz WTYMOYIHXRBMRM-UHFFFAOYSA-N 2 1 349.494 3.076 20 0 EGADMP Cc1ccc(C[NH2+]C2(CNC(=O)C[N@H+](C)C(C)C)CCCCC2)cc1 ZINC001120208245 1371505663 /nfs/dbraw/zinc/50/56/63/1371505663.db2.gz XCRNFZQZWDXULB-UHFFFAOYSA-N 2 1 345.531 3.244 20 0 EGADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C[C@H](C)c3ccccc3)CC2)C1 ZINC001207912960 1371536305 /nfs/dbraw/zinc/53/63/05/1371536305.db2.gz AAKXGHZIJXCIDV-HKUYNNGSSA-N 2 1 344.499 3.140 20 0 EGADMP Cc1ccc(CCC[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)o1 ZINC001207944233 1371544858 /nfs/dbraw/zinc/54/48/58/1371544858.db2.gz OFZZNRBQNHIUBH-FQEVSTJZSA-N 2 1 334.504 3.343 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120421876 1371568929 /nfs/dbraw/zinc/56/89/29/1371568929.db2.gz FUWGOCPWZBSCRX-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120439649 1371577668 /nfs/dbraw/zinc/57/76/68/1371577668.db2.gz HTFIDKVQGPWXML-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120439649 1371577670 /nfs/dbraw/zinc/57/76/70/1371577670.db2.gz HTFIDKVQGPWXML-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001120439649 1371577674 /nfs/dbraw/zinc/57/76/74/1371577674.db2.gz HTFIDKVQGPWXML-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120438864 1371577803 /nfs/dbraw/zinc/57/78/03/1371577803.db2.gz CPSFIVROQHXZBF-KJYWSYJISA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120438864 1371577804 /nfs/dbraw/zinc/57/78/04/1371577804.db2.gz CPSFIVROQHXZBF-KJYWSYJISA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001120438864 1371577807 /nfs/dbraw/zinc/57/78/07/1371577807.db2.gz CPSFIVROQHXZBF-KJYWSYJISA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CC2CCCC2)C1 ZINC001120469608 1371588259 /nfs/dbraw/zinc/58/82/59/1371588259.db2.gz LDAIZCMNZURLIB-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC2CCCC2)C1 ZINC001120469608 1371588262 /nfs/dbraw/zinc/58/82/62/1371588262.db2.gz LDAIZCMNZURLIB-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC2CCCC2)C1 ZINC001120469608 1371588269 /nfs/dbraw/zinc/58/82/69/1371588269.db2.gz LDAIZCMNZURLIB-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001208107806 1371596685 /nfs/dbraw/zinc/59/66/85/1371596685.db2.gz KPDCEKAJWAZRRB-MRXNPFEDSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)CC1 ZINC001208105699 1371597125 /nfs/dbraw/zinc/59/71/25/1371597125.db2.gz AWGOXIWRDHWOFY-IBGZPJMESA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001208112291 1371598403 /nfs/dbraw/zinc/59/84/03/1371598403.db2.gz UTCSYHRWTPRQOU-JOCHJYFZSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC(C)(CN2CC[C@]3(CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001208112291 1371598406 /nfs/dbraw/zinc/59/84/06/1371598406.db2.gz UTCSYHRWTPRQOU-JOCHJYFZSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC(C)(CN2CC[C@]3(CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001208112291 1371598408 /nfs/dbraw/zinc/59/84/08/1371598408.db2.gz UTCSYHRWTPRQOU-JOCHJYFZSA-N 2 1 341.543 3.459 20 0 EGADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2CC2(C)CC[NH+](C)CC2)c1 ZINC001208115169 1371599698 /nfs/dbraw/zinc/59/96/98/1371599698.db2.gz GAXHHIYJNLCUNU-SFHVURJKSA-N 2 1 330.472 3.342 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208330623 1371719542 /nfs/dbraw/zinc/71/95/42/1371719542.db2.gz AUDKSNCLOZHWJK-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208335617 1371723465 /nfs/dbraw/zinc/72/34/65/1371723465.db2.gz WSENQUVJRUIPPZ-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001208453885 1371772391 /nfs/dbraw/zinc/77/23/91/1371772391.db2.gz QUQOUFXGLROOBQ-IBGZPJMESA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001208453854 1371772790 /nfs/dbraw/zinc/77/27/90/1371772790.db2.gz PUVNIZQIZHOMPE-DAWZGUTISA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001208454400 1371773087 /nfs/dbraw/zinc/77/30/87/1371773087.db2.gz WNASAXXWNHNOJK-LJQANCHMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001208454072 1371773147 /nfs/dbraw/zinc/77/31/47/1371773147.db2.gz SDEOUPMJOSJMDZ-LJQANCHMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208474168 1371781349 /nfs/dbraw/zinc/78/13/49/1371781349.db2.gz JIYNBMYIBFARLC-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001208492130 1371786812 /nfs/dbraw/zinc/78/68/12/1371786812.db2.gz FIHZEWZGBQPRAA-FUHIMQAGSA-N 2 1 345.531 3.259 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C)[NH+](CC)CC ZINC001208571742 1371822306 /nfs/dbraw/zinc/82/23/06/1371822306.db2.gz RWAPIOUDYNKGKO-QRQLOZEOSA-N 2 1 335.536 3.044 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN2CC[NH+](C3CCC3)CC2)cc1 ZINC001208581976 1371826596 /nfs/dbraw/zinc/82/65/96/1371826596.db2.gz BVHCGRIJVYFVRO-NRFANRHFSA-N 2 1 327.516 3.211 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN2CC[NH+](CC3CC3)CC2)cc1 ZINC001208589161 1371829675 /nfs/dbraw/zinc/82/96/75/1371829675.db2.gz RZYUKHNKXJHLSZ-NRFANRHFSA-N 2 1 327.516 3.069 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001208597996 1371834878 /nfs/dbraw/zinc/83/48/78/1371834878.db2.gz PFDQJRRPRMDYBJ-KRWDZBQOSA-N 2 1 339.524 3.098 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)C1 ZINC001208606754 1371838546 /nfs/dbraw/zinc/83/85/46/1371838546.db2.gz HFDCNNIIBDCUSO-AWEZNQCLSA-N 2 1 331.435 3.488 20 0 EGADMP CC/C=C\CC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001208727878 1371875171 /nfs/dbraw/zinc/87/51/71/1371875171.db2.gz UCHVDWPEECRCOL-FBQMEGEOSA-N 2 1 343.515 3.493 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001121193816 1371885537 /nfs/dbraw/zinc/88/55/37/1371885537.db2.gz JEUUIJHETNNLNS-GEUNIFFNSA-N 2 1 349.563 3.314 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121233945 1371902887 /nfs/dbraw/zinc/90/28/87/1371902887.db2.gz UFGOSLGRFUGTQR-SGPNKGFISA-N 2 1 349.563 3.312 20 0 EGADMP C[N@@H+](CCCc1ccc(Cl)c(Cl)c1)CCN1CC[NH+](C)CC1 ZINC001208838741 1371912184 /nfs/dbraw/zinc/91/21/84/1371912184.db2.gz VKHTZWNOBDOSSW-UHFFFAOYSA-N 2 1 344.330 3.105 20 0 EGADMP CC(C)n1nc(CN(C)C)c2c1CN(C[C@H](C)C(F)(F)F)CC2 ZINC001208886634 1371931643 /nfs/dbraw/zinc/93/16/43/1371931643.db2.gz DLLBYEYTUOWYDF-LBPRGKRZSA-N 2 1 332.414 3.082 20 0 EGADMP CC(C)n1nc(CN(C)C)c2c1C[N@@H+](C[C@H](C)C(F)(F)F)CC2 ZINC001208886634 1371931637 /nfs/dbraw/zinc/93/16/37/1371931637.db2.gz DLLBYEYTUOWYDF-LBPRGKRZSA-N 2 1 332.414 3.082 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001121325710 1371937794 /nfs/dbraw/zinc/93/77/94/1371937794.db2.gz LVGMKZGJATWXEE-KTKRTIGZSA-N 2 1 349.563 3.480 20 0 EGADMP Cn1cc(CN2CC[C@@H]3C[N@@H+](CC4(C)CCCCC4)C[C@H]3C2)cn1 ZINC001208899153 1371938042 /nfs/dbraw/zinc/93/80/42/1371938042.db2.gz HVHMCTXUDDCNCI-RTBURBONSA-N 2 1 330.520 3.144 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CCC([NH+]4CCCC4)CC3)C2)cc1 ZINC001208928792 1371948440 /nfs/dbraw/zinc/94/84/40/1371948440.db2.gz LFNZZJMNWDAUEC-NRFANRHFSA-N 2 1 341.543 3.459 20 0 EGADMP CN(CCC[NH+]1CCCC1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208931991 1371950993 /nfs/dbraw/zinc/95/09/93/1371950993.db2.gz DYCPUMRSLYZWDR-OAQYLSRUSA-N 2 1 329.532 3.316 20 0 EGADMP F[C@@H]1COC2(C1)CC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208941108 1371955785 /nfs/dbraw/zinc/95/57/85/1371955785.db2.gz XHQKKRFIYLOSLD-PMACEKPBSA-N 2 1 346.490 3.492 20 0 EGADMP F[C@@H]1COC2(C1)CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208941108 1371955789 /nfs/dbraw/zinc/95/57/89/1371955789.db2.gz XHQKKRFIYLOSLD-PMACEKPBSA-N 2 1 346.490 3.492 20 0 EGADMP F[C@@H]1COC2(C1)CC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208941109 1371956281 /nfs/dbraw/zinc/95/62/81/1371956281.db2.gz XHQKKRFIYLOSLD-UXHICEINSA-N 2 1 346.490 3.492 20 0 EGADMP F[C@@H]1COC2(C1)CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208941109 1371956283 /nfs/dbraw/zinc/95/62/83/1371956283.db2.gz XHQKKRFIYLOSLD-UXHICEINSA-N 2 1 346.490 3.492 20 0 EGADMP CCOC(=O)[C@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1C ZINC001208952568 1371960583 /nfs/dbraw/zinc/96/05/83/1371960583.db2.gz KWOBZIWVORXCQM-HOJAQTOUSA-N 2 1 344.499 3.172 20 0 EGADMP CCOC(=O)[C@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC001208952568 1371960585 /nfs/dbraw/zinc/96/05/85/1371960585.db2.gz KWOBZIWVORXCQM-HOJAQTOUSA-N 2 1 344.499 3.172 20 0 EGADMP CCOC(=O)[C@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC001208952568 1371960602 /nfs/dbraw/zinc/96/06/02/1371960602.db2.gz KWOBZIWVORXCQM-HOJAQTOUSA-N 2 1 344.499 3.172 20 0 EGADMP C[NH+]1CCC2(CC1)CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208956862 1371962108 /nfs/dbraw/zinc/96/21/08/1371962108.db2.gz JEXYWOULVFFFRC-OAQYLSRUSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC2(CCN(C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001208956862 1371962109 /nfs/dbraw/zinc/96/21/09/1371962109.db2.gz JEXYWOULVFFFRC-OAQYLSRUSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC2(CCN(C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001208956862 1371962119 /nfs/dbraw/zinc/96/21/19/1371962119.db2.gz JEXYWOULVFFFRC-OAQYLSRUSA-N 2 1 341.543 3.316 20 0 EGADMP C[N@@H+](CCC(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2)C1CCCCC1 ZINC001121462640 1371982711 /nfs/dbraw/zinc/98/27/11/1371982711.db2.gz LJMBWQDQJAJKCG-UHFFFAOYSA-N 2 1 347.547 3.068 20 0 EGADMP CCOC(C)(C)C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209075875 1371991263 /nfs/dbraw/zinc/99/12/63/1371991263.db2.gz XUEIDBARLSZDTG-SXLOBPIMSA-N 2 1 345.531 3.429 20 0 EGADMP CCOC(C)(C)C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209075875 1371991266 /nfs/dbraw/zinc/99/12/66/1371991266.db2.gz XUEIDBARLSZDTG-SXLOBPIMSA-N 2 1 345.531 3.429 20 0 EGADMP CCOC(C)(C)C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209075875 1371991267 /nfs/dbraw/zinc/99/12/67/1371991267.db2.gz XUEIDBARLSZDTG-SXLOBPIMSA-N 2 1 345.531 3.429 20 0 EGADMP CCOC(C)(C)C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209075875 1371991268 /nfs/dbraw/zinc/99/12/68/1371991268.db2.gz XUEIDBARLSZDTG-SXLOBPIMSA-N 2 1 345.531 3.429 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](CCCc4cccnc4)C[C@H]3C2)cc1 ZINC001209185026 1372029246 /nfs/dbraw/zinc/02/92/46/1372029246.db2.gz MNPNPPJUZNDXRV-VXKWHMMOSA-N 2 1 335.495 3.468 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCCc4cccnc4)C[C@H]3C2)cc1 ZINC001209185026 1372029249 /nfs/dbraw/zinc/02/92/49/1372029249.db2.gz MNPNPPJUZNDXRV-VXKWHMMOSA-N 2 1 335.495 3.468 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001209204507 1372037830 /nfs/dbraw/zinc/03/78/30/1372037830.db2.gz IYNWJDXAGHAIHU-RTBURBONSA-N 2 1 337.552 3.269 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CC2(C1)CC([NH2+]CCCC1CCC1)C2 ZINC001121767392 1372074407 /nfs/dbraw/zinc/07/44/07/1372074407.db2.gz DNWDSVAREQYVPN-WOLZCAMPSA-N 2 1 347.547 3.068 20 0 EGADMP COC(C)(C)CC[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001209403472 1372094037 /nfs/dbraw/zinc/09/40/37/1372094037.db2.gz PFFROSDFVWDJEX-UHFFFAOYSA-N 2 1 331.504 3.185 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001121859359 1372105528 /nfs/dbraw/zinc/10/55/28/1372105528.db2.gz DMJABPMOMBTVQU-SGPNKGFISA-N 2 1 349.563 3.312 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCN(CCC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC001209452149 1372109618 /nfs/dbraw/zinc/10/96/18/1372109618.db2.gz FNGXEFNPDIHXQV-VXKWHMMOSA-N 2 1 341.543 3.316 20 0 EGADMP O=c1oc2ccccc2n1C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC001209449123 1372109630 /nfs/dbraw/zinc/10/96/30/1372109630.db2.gz SRCGXOPEYJGODZ-UHFFFAOYSA-N 2 1 343.471 3.107 20 0 EGADMP COC(=O)[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC001209453068 1372110674 /nfs/dbraw/zinc/11/06/74/1372110674.db2.gz FBTGJLFXJZHKDG-OALUTQOASA-N 2 1 330.472 3.099 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC001209453068 1372110678 /nfs/dbraw/zinc/11/06/78/1372110678.db2.gz FBTGJLFXJZHKDG-OALUTQOASA-N 2 1 330.472 3.099 20 0 EGADMP [NH3+]C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CCCCCC1 ZINC001121971823 1372139309 /nfs/dbraw/zinc/13/93/09/1372139309.db2.gz HKSVOQSTXXFDDG-YSIASYRMSA-N 2 1 347.547 3.007 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C)C(C)C ZINC001209586235 1372143665 /nfs/dbraw/zinc/14/36/65/1372143665.db2.gz ZBZOKOURZGVCJM-MISYRCLQSA-N 2 1 349.563 3.290 20 0 EGADMP CCOC(=O)c1c(C)[nH]c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1C ZINC001209607069 1372150426 /nfs/dbraw/zinc/15/04/26/1372150426.db2.gz PDTDSCKBYMMLJJ-UHFFFAOYSA-N 2 1 349.519 3.360 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001209688254 1372170585 /nfs/dbraw/zinc/17/05/85/1372170585.db2.gz CKQYFWQCQHGQCX-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP COc1c(Cl)ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1F ZINC001209703508 1372174885 /nfs/dbraw/zinc/17/48/85/1372174885.db2.gz ZVIVFVCCHKDCEX-UHFFFAOYSA-N 2 1 326.843 3.405 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209932485 1372234745 /nfs/dbraw/zinc/23/47/45/1372234745.db2.gz RPEXCXQFYMDCEP-QGZVFWFLSA-N 2 1 334.508 3.023 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC001210216968 1372296182 /nfs/dbraw/zinc/29/61/82/1372296182.db2.gz XQEXWKCPJZFWFS-NRFANRHFSA-N 2 1 332.451 3.327 20 0 EGADMP CCCc1ccc(C[NH2+][C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001210493246 1372365905 /nfs/dbraw/zinc/36/59/05/1372365905.db2.gz KETLDNFNFWYMNE-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001210797478 1372427934 /nfs/dbraw/zinc/42/79/34/1372427934.db2.gz SSDZYHABDVAVGB-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001210810595 1372430885 /nfs/dbraw/zinc/43/08/85/1372430885.db2.gz AIPHXQJIZONQJQ-HXKWKUIBSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350057 1372538351 /nfs/dbraw/zinc/53/83/51/1372538351.db2.gz NKYZEZKNCFXIMH-WSTZPKSXSA-N 2 1 343.515 3.060 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001211367080 1372541808 /nfs/dbraw/zinc/54/18/08/1372541808.db2.gz NMOGYCCKAVGALC-NCPJDUFYSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001211367080 1372541813 /nfs/dbraw/zinc/54/18/13/1372541813.db2.gz NMOGYCCKAVGALC-NCPJDUFYSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001211367080 1372541815 /nfs/dbraw/zinc/54/18/15/1372541815.db2.gz NMOGYCCKAVGALC-NCPJDUFYSA-N 2 1 335.536 3.044 20 0 EGADMP CCCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1ccccc1 ZINC001211730119 1372609012 /nfs/dbraw/zinc/60/90/12/1372609012.db2.gz PUVUBFLXCUNTKU-VQTJNVASSA-N 2 1 345.531 3.101 20 0 EGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC001326539039 1388232970 /nfs/dbraw/zinc/23/29/70/1388232970.db2.gz IYUYKRARIXCFJV-RXVVDRJESA-N 2 1 338.499 3.001 20 0 EGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc2n(n1)CCC2 ZINC001326539039 1388232972 /nfs/dbraw/zinc/23/29/72/1388232972.db2.gz IYUYKRARIXCFJV-RXVVDRJESA-N 2 1 338.499 3.001 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001128743344 1373307412 /nfs/dbraw/zinc/30/74/12/1373307412.db2.gz BZWXMSGWJPDJOG-OALUTQOASA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001216494104 1373311885 /nfs/dbraw/zinc/31/18/85/1373311885.db2.gz GWKVWBXGRDOFSM-WSTZPKSXSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001216490794 1373311993 /nfs/dbraw/zinc/31/19/93/1373311993.db2.gz PDBHLCMAUNFWGM-JTDSTZFVSA-N 2 1 349.494 3.055 20 0 EGADMP O=C(NCC[NH2+]CCC1CCCCCC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130190412 1373471742 /nfs/dbraw/zinc/47/17/42/1373471742.db2.gz YRDCJTUATIQWAD-RTBURBONSA-N 2 1 335.536 3.070 20 0 EGADMP Cc1ccc([C@H]2C[C@@H]2c2nnc([C@@H]([NH3+])CCCC[NH+](C)C)o2)cc1 ZINC001217715603 1373493639 /nfs/dbraw/zinc/49/36/39/1373493639.db2.gz YQGZXMHBCDECIP-IKGGRYGDSA-N 2 1 328.460 3.381 20 0 EGADMP CCCCOc1ccc(-c2nnc([C@@H]([NH3+])CC3CC[NH2+]CC3)o2)cc1 ZINC001217724112 1373495332 /nfs/dbraw/zinc/49/53/32/1373495332.db2.gz HITRVKWOVRHFDR-KRWDZBQOSA-N 2 1 344.459 3.305 20 0 EGADMP Clc1ccc(C[N@@H+]2CC[C@H](OC[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC001217907720 1373511526 /nfs/dbraw/zinc/51/15/26/1373511526.db2.gz HMJDFHMHBQQHBL-KBPBESRZSA-N 2 1 329.271 3.336 20 0 EGADMP Clc1ccc(C[N@H+]2CC[C@H](OC[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC001217907720 1373511531 /nfs/dbraw/zinc/51/15/31/1373511531.db2.gz HMJDFHMHBQQHBL-KBPBESRZSA-N 2 1 329.271 3.336 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218334736 1373599213 /nfs/dbraw/zinc/59/92/13/1373599213.db2.gz FSDVYHLESLUSLS-OXJNMPFZSA-N 2 1 337.467 3.017 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001221553088 1373780778 /nfs/dbraw/zinc/78/07/78/1373780778.db2.gz QNHYDNQLUHLTKB-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001221664565 1373787399 /nfs/dbraw/zinc/78/73/99/1373787399.db2.gz ZMQYDOYIOKBIJX-VAMGGRTRSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001221664565 1373787406 /nfs/dbraw/zinc/78/74/06/1373787406.db2.gz ZMQYDOYIOKBIJX-VAMGGRTRSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001221664565 1373787413 /nfs/dbraw/zinc/78/74/13/1373787413.db2.gz ZMQYDOYIOKBIJX-VAMGGRTRSA-N 2 1 349.563 3.076 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[N@@H+](CC3CCCCC3)[C@H]2C1 ZINC001223954807 1375048946 /nfs/dbraw/zinc/04/89/46/1375048946.db2.gz DJNJWZCDOFROON-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188663749 1388355582 /nfs/dbraw/zinc/35/55/82/1388355582.db2.gz BKMYQRXMCHFSSN-CMKODMSKSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188663749 1388355587 /nfs/dbraw/zinc/35/55/87/1388355587.db2.gz BKMYQRXMCHFSSN-CMKODMSKSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188663749 1388355593 /nfs/dbraw/zinc/35/55/93/1388355593.db2.gz BKMYQRXMCHFSSN-CMKODMSKSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC[NH+](CC[C@H](C)F)CC1 ZINC001224884690 1375082625 /nfs/dbraw/zinc/08/26/25/1375082625.db2.gz YWJDEFJDODRZAL-KRWDZBQOSA-N 2 1 343.531 3.075 20 0 EGADMP CC[C@H](C)C[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225577955 1375126393 /nfs/dbraw/zinc/12/63/93/1375126393.db2.gz NNIPFTKHHLUPJB-PXNSSMCTSA-N 2 1 345.531 3.164 20 0 EGADMP CCCCC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225577965 1375126492 /nfs/dbraw/zinc/12/64/92/1375126492.db2.gz OGKONGZSRXLLDR-FQEVSTJZSA-N 2 1 345.531 3.308 20 0 EGADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(F)cc2)C1 ZINC001132152372 1375171679 /nfs/dbraw/zinc/17/16/79/1375171679.db2.gz AYLWZTZRYKJYHG-CRAIPNDOSA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(F)cc2)C1 ZINC001132152372 1375171682 /nfs/dbraw/zinc/17/16/82/1375171682.db2.gz AYLWZTZRYKJYHG-CRAIPNDOSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cc2)C1 ZINC001132152372 1375171688 /nfs/dbraw/zinc/17/16/88/1375171688.db2.gz AYLWZTZRYKJYHG-CRAIPNDOSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)cc2)C1 ZINC001132152372 1375171692 /nfs/dbraw/zinc/17/16/92/1375171692.db2.gz AYLWZTZRYKJYHG-CRAIPNDOSA-N 2 1 349.494 3.025 20 0 EGADMP CCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132207844 1375210482 /nfs/dbraw/zinc/21/04/82/1375210482.db2.gz XSPASZDSZLUYBO-QZTJIDSGSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132207844 1375210486 /nfs/dbraw/zinc/21/04/86/1375210486.db2.gz XSPASZDSZLUYBO-QZTJIDSGSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132207844 1375210491 /nfs/dbraw/zinc/21/04/91/1375210491.db2.gz XSPASZDSZLUYBO-QZTJIDSGSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001226332969 1375241178 /nfs/dbraw/zinc/24/11/78/1375241178.db2.gz DCPDXKTVBONBPR-GVDBMIGSSA-N 2 1 334.508 3.214 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1C/C=C\c1ccccc1 ZINC001132265561 1375254644 /nfs/dbraw/zinc/25/46/44/1375254644.db2.gz OLOQVTKCFFHRIJ-GDSCYZHGSA-N 2 1 343.515 3.011 20 0 EGADMP CCc1cccc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)c1 ZINC001132269485 1375257631 /nfs/dbraw/zinc/25/76/31/1375257631.db2.gz KOEGCZANTSDIOC-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132313639 1375291332 /nfs/dbraw/zinc/29/13/32/1375291332.db2.gz BKAHBEIVLWXCTQ-IKSUFZCESA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132313639 1375291334 /nfs/dbraw/zinc/29/13/34/1375291334.db2.gz BKAHBEIVLWXCTQ-IKSUFZCESA-N 2 1 335.536 3.044 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CCCC2)C1 ZINC001132364217 1375327660 /nfs/dbraw/zinc/32/76/60/1375327660.db2.gz BCLHVIGQJFCABD-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCCC2)C1 ZINC001132364217 1375327667 /nfs/dbraw/zinc/32/76/67/1375327667.db2.gz BCLHVIGQJFCABD-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001226765832 1375328864 /nfs/dbraw/zinc/32/88/64/1375328864.db2.gz FXVDDXMRYBHFOI-GUDVDZBRSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001226773064 1375330131 /nfs/dbraw/zinc/33/01/31/1375330131.db2.gz BXPARIYLWZGSIR-VAMGGRTRSA-N 2 1 349.563 3.457 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cc(C)ccc2C)C1 ZINC001132409671 1375359021 /nfs/dbraw/zinc/35/90/21/1375359021.db2.gz COZBIGOKSDVCMQ-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(C)ccc2C)C1 ZINC001132409671 1375359023 /nfs/dbraw/zinc/35/90/23/1375359023.db2.gz COZBIGOKSDVCMQ-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001132409671 1375359026 /nfs/dbraw/zinc/35/90/26/1375359026.db2.gz COZBIGOKSDVCMQ-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC)C1 ZINC001132420275 1375368542 /nfs/dbraw/zinc/36/85/42/1375368542.db2.gz PVUPNNUCYJFRIC-QZTJIDSGSA-N 2 1 325.541 3.268 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132436999 1375381787 /nfs/dbraw/zinc/38/17/87/1375381787.db2.gz ORXXMZXXNHSSFU-YZPMEYCISA-N 2 1 337.552 3.434 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132524497 1375440620 /nfs/dbraw/zinc/44/06/20/1375440620.db2.gz HYFXZRPIEWBFSV-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CCC(C)(C)C ZINC001132524365 1375440875 /nfs/dbraw/zinc/44/08/75/1375440875.db2.gz GJKBHIAHTMYHLX-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132525901 1375441753 /nfs/dbraw/zinc/44/17/53/1375441753.db2.gz WPYRVWMJQGAESY-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132526100 1375442574 /nfs/dbraw/zinc/44/25/74/1375442574.db2.gz YGPDSKQUAIZBBM-NYQZOWANSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+](CC2CCCCCC2)CC1 ZINC001228064992 1375514561 /nfs/dbraw/zinc/51/45/61/1375514561.db2.gz MMYLLSUCRKFJSM-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CC(Oc2ccc(C[NH+]3CCCCC3)c3cccnc23)C1 ZINC001228375255 1375559780 /nfs/dbraw/zinc/55/97/80/1375559780.db2.gz ZTIBLUMGQMCACA-UHFFFAOYSA-N 2 1 325.456 3.304 20 0 EGADMP CC(C)(C)CCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132791263 1375567135 /nfs/dbraw/zinc/56/71/35/1375567135.db2.gz WAPAXWWJGJGZJF-SFHVURJKSA-N 2 1 337.552 3.316 20 0 EGADMP O=C(NCC[NH2+]CC1CCCCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790983 1375567225 /nfs/dbraw/zinc/56/72/25/1375567225.db2.gz OSBSNNSGUNGCGW-HXUWFJFHSA-N 2 1 349.563 3.460 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001228618539 1375618442 /nfs/dbraw/zinc/61/84/42/1375618442.db2.gz MFJWXUCGWDIVSF-QZTJIDSGSA-N 2 1 337.552 3.172 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC2CCC2)C1 ZINC001228623575 1375620885 /nfs/dbraw/zinc/62/08/85/1375620885.db2.gz DZGDJYPPJCUJGE-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001228853006 1375694172 /nfs/dbraw/zinc/69/41/72/1375694172.db2.gz MVCPQKYLDLIBOO-QZTJIDSGSA-N 2 1 348.535 3.460 20 0 EGADMP C[NH+](C)CC[C@@H](Oc1ccc(C(=[NH2+])NO)c(F)c1)c1ccccc1 ZINC001229082977 1375760383 /nfs/dbraw/zinc/76/03/83/1375760383.db2.gz LTZYWKHAEYFTMD-QGZVFWFLSA-N 2 1 331.391 3.202 20 0 EGADMP C[N@@H+](CC(=O)NC1CC[NH+](CCC2=CCCCC2)CC1)CC(C)(C)C ZINC001229214912 1375789262 /nfs/dbraw/zinc/78/92/62/1375789262.db2.gz KWSWUOIXBLVOFG-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(F)cc1 ZINC001229496958 1375846867 /nfs/dbraw/zinc/84/68/67/1375846867.db2.gz ZKKUTANWPXNWHZ-ATZDWAIDSA-N 2 1 349.494 3.246 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CC(C)C ZINC001229523997 1375850962 /nfs/dbraw/zinc/85/09/62/1375850962.db2.gz LNPPWQDLIVJXAO-RCCFBDPRSA-N 2 1 325.541 3.027 20 0 EGADMP CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001229545074 1375853088 /nfs/dbraw/zinc/85/30/88/1375853088.db2.gz RCZRUAHPRFDFHU-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(CC)CC)C1 ZINC001133263010 1375879381 /nfs/dbraw/zinc/87/93/81/1375879381.db2.gz NOXXWPVRFOLNMC-IEBWSBKVSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001133263415 1375880097 /nfs/dbraw/zinc/88/00/97/1375880097.db2.gz UZKCBQHGGAGWBQ-QUCCMNQESA-N 2 1 349.563 3.293 20 0 EGADMP CC[C@H](C)C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001230016626 1375931671 /nfs/dbraw/zinc/93/16/71/1375931671.db2.gz QRGIXAXEFOCXRJ-PXNSSMCTSA-N 2 1 345.531 3.306 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001133347581 1375935804 /nfs/dbraw/zinc/93/58/04/1375935804.db2.gz XUBCGPRIOGEUKX-FAPWYTRCSA-N 2 1 337.552 3.147 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC001230107668 1375944984 /nfs/dbraw/zinc/94/49/84/1375944984.db2.gz SDLJBKIYAAMRHI-FQEVSTJZSA-N 2 1 345.531 3.450 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001230274637 1375981160 /nfs/dbraw/zinc/98/11/60/1375981160.db2.gz DETJNGXMAPDYNN-GJGSYKPXSA-N 2 1 335.536 3.234 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001230359707 1376008219 /nfs/dbraw/zinc/00/82/19/1376008219.db2.gz HVDCCHOWBWJLLP-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC001230591777 1376090241 /nfs/dbraw/zinc/09/02/41/1376090241.db2.gz JERURRHUMAZEPC-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(-c2cccs2)cc1 ZINC001231430865 1376240319 /nfs/dbraw/zinc/24/03/19/1376240319.db2.gz KYSPKSOXCOWARS-UHFFFAOYSA-N 2 1 329.513 3.094 20 0 EGADMP Oc1cncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001232044219 1376390087 /nfs/dbraw/zinc/39/00/87/1376390087.db2.gz FBYMXFDLUHWKKL-VQTJNVASSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001232044219 1376390090 /nfs/dbraw/zinc/39/00/90/1376390090.db2.gz FBYMXFDLUHWKKL-VQTJNVASSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001232044219 1376390095 /nfs/dbraw/zinc/39/00/95/1376390095.db2.gz FBYMXFDLUHWKKL-VQTJNVASSA-N 2 1 337.467 3.131 20 0 EGADMP Cc1cnccc1O[C@H]1CCN(Cc2cnc(-c3cccnc3)o2)C1 ZINC001232138816 1376406067 /nfs/dbraw/zinc/40/60/67/1376406067.db2.gz YOCOOVKUHQPPIY-INIZCTEOSA-N 2 1 336.395 3.093 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC001232145699 1376409085 /nfs/dbraw/zinc/40/90/85/1376409085.db2.gz XNEJRPCPHHXEAM-UHFFFAOYSA-N 2 1 345.437 3.349 20 0 EGADMP c1ccc(CN2C[C@@H]3C[N@H+](Cc4nccc5ccccc54)C[C@@H]3C2)nc1 ZINC001232250486 1376425008 /nfs/dbraw/zinc/42/50/08/1376425008.db2.gz SRTAUXOMRBULNR-KDURUIRLSA-N 2 1 344.462 3.194 20 0 EGADMP COCc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001232299390 1376434380 /nfs/dbraw/zinc/43/43/80/1376434380.db2.gz BTBURHMGUNOVJA-RTBURBONSA-N 2 1 342.508 3.458 20 0 EGADMP Cc1nc(N)ccc1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001232343011 1376445446 /nfs/dbraw/zinc/44/54/46/1376445446.db2.gz VFMPQLPCXMSUDU-UHFFFAOYSA-N 2 1 338.499 3.316 20 0 EGADMP Cc1c[nH]c(=O)c(C[N@H+](C)C2CCN(Cc3ccccc3)CC2)c1 ZINC001233190288 1376581433 /nfs/dbraw/zinc/58/14/33/1376581433.db2.gz FDENZDBBCUHGTM-UHFFFAOYSA-N 2 1 325.456 3.192 20 0 EGADMP Cc1c[nH]c(=O)c(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001233190288 1376581441 /nfs/dbraw/zinc/58/14/41/1376581441.db2.gz FDENZDBBCUHGTM-UHFFFAOYSA-N 2 1 325.456 3.192 20 0 EGADMP CC(C)[N@@H+](Cc1ccc(O)c(OCC2CC2)c1)C1CCN(C)CC1 ZINC001233230472 1376594386 /nfs/dbraw/zinc/59/43/86/1376594386.db2.gz IIHKOPMZTOGGEY-UHFFFAOYSA-N 2 1 332.488 3.486 20 0 EGADMP Cc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCC[NH+]2C)cc1C ZINC001327226152 1388452716 /nfs/dbraw/zinc/45/27/16/1388452716.db2.gz WSUHKKVERAFWBS-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1ccc(C[NH+](C)CCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1C ZINC001327226152 1388452722 /nfs/dbraw/zinc/45/27/22/1388452722.db2.gz WSUHKKVERAFWBS-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1ccc(C[NH+](C)CCCN(C)C(=O)[C@@H]2CCCC[N@H+]2C)cc1C ZINC001327226152 1388452726 /nfs/dbraw/zinc/45/27/26/1388452726.db2.gz WSUHKKVERAFWBS-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1cccc(C)c1C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134607872 1376622082 /nfs/dbraw/zinc/62/20/82/1376622082.db2.gz MZAYFQITROKOGW-QZTJIDSGSA-N 2 1 345.531 3.161 20 0 EGADMP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)cc1C ZINC001134612410 1376625020 /nfs/dbraw/zinc/62/50/20/1376625020.db2.gz MDQJBFZXTGFHBI-MSOLQXFVSA-N 2 1 345.531 3.161 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001134773659 1376713845 /nfs/dbraw/zinc/71/38/45/1376713845.db2.gz QDUKRKCGLHXTJG-MSOLQXFVSA-N 2 1 347.547 3.141 20 0 EGADMP CC(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134790935 1376724569 /nfs/dbraw/zinc/72/45/69/1376724569.db2.gz LHEMUWYAOOECRZ-HOTGVXAUSA-N 2 1 325.541 3.168 20 0 EGADMP Fc1cc(-c2ccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)cc2)cnc1Cl ZINC001235024580 1376830480 /nfs/dbraw/zinc/83/04/80/1376830480.db2.gz OGJILBKOSSRHBK-UHFFFAOYSA-N 2 1 331.822 3.336 20 0 EGADMP Fc1cc(-c2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)cc2)cnc1Cl ZINC001235024580 1376830484 /nfs/dbraw/zinc/83/04/84/1376830484.db2.gz OGJILBKOSSRHBK-UHFFFAOYSA-N 2 1 331.822 3.336 20 0 EGADMP Cc1cc(Cl)c(Cl)cc1C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235042156 1376839240 /nfs/dbraw/zinc/83/92/40/1376839240.db2.gz VBGRTKUVCDGEIR-MLGOLLRUSA-N 2 1 329.271 3.112 20 0 EGADMP Brc1coc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235242785 1376862546 /nfs/dbraw/zinc/86/25/46/1376862546.db2.gz UZYYZAPGOQNVMC-OAHLLOKOSA-N 2 1 327.266 3.396 20 0 EGADMP CN(C[C@@H]1CC[N@@H+]1CCCC(C)(C)C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001235338113 1376868229 /nfs/dbraw/zinc/86/82/29/1376868229.db2.gz UNIMNYNKSWCGEA-IRXDYDNUSA-N 2 1 346.519 3.120 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCCC(C)(C)C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001235338113 1376868235 /nfs/dbraw/zinc/86/82/35/1376868235.db2.gz UNIMNYNKSWCGEA-IRXDYDNUSA-N 2 1 346.519 3.120 20 0 EGADMP Cc1nccn1-c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427715 1376870299 /nfs/dbraw/zinc/87/02/99/1376870299.db2.gz MYUGPYYZFKSVKR-VQTJNVASSA-N 2 1 338.499 3.392 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427715 1376870304 /nfs/dbraw/zinc/87/03/04/1376870304.db2.gz MYUGPYYZFKSVKR-VQTJNVASSA-N 3 1 338.499 3.392 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427715 1376870309 /nfs/dbraw/zinc/87/03/09/1376870309.db2.gz MYUGPYYZFKSVKR-VQTJNVASSA-N 3 1 338.499 3.392 20 0 EGADMP Clc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c2nccn2c1 ZINC001235431157 1376872055 /nfs/dbraw/zinc/87/20/55/1376872055.db2.gz LGUBLVZJOQPDIM-CABCVRRESA-N 2 1 332.879 3.199 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001327258631 1388469676 /nfs/dbraw/zinc/46/96/76/1388469676.db2.gz SSBFYBXHYPRVQB-UYAOXDASSA-N 2 1 347.547 3.423 20 0 EGADMP [NH3+]C1CN([C@@H]2CCC[N@@H+](Cc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC001236074506 1376931305 /nfs/dbraw/zinc/93/13/05/1376931305.db2.gz ZEKIKERNJMLTCS-LJQANCHMSA-N 2 1 337.467 3.086 20 0 EGADMP Clc1ccc([C@H]2COCC[N@@H+]2CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001236182024 1376940712 /nfs/dbraw/zinc/94/07/12/1376940712.db2.gz MRFLQUNWKMSVHP-GOSISDBHSA-N 2 1 334.891 3.493 20 0 EGADMP Clc1ccc([C@H]2COCC[N@H+]2CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001236182024 1376940720 /nfs/dbraw/zinc/94/07/20/1376940720.db2.gz MRFLQUNWKMSVHP-GOSISDBHSA-N 2 1 334.891 3.493 20 0 EGADMP CCC[N@@H+](Cc1ccnc(OCc2ccccc2)c1)C[C@H]1CC[NH2+]C1 ZINC001236844010 1376966514 /nfs/dbraw/zinc/96/65/14/1376966514.db2.gz OZBSPJZXVSEEBM-FQEVSTJZSA-N 2 1 339.483 3.482 20 0 EGADMP CCC[N@H+](Cc1ccnc(OCc2ccccc2)c1)C[C@H]1CC[NH2+]C1 ZINC001236844010 1376966524 /nfs/dbraw/zinc/96/65/24/1376966524.db2.gz OZBSPJZXVSEEBM-FQEVSTJZSA-N 2 1 339.483 3.482 20 0 EGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(OC)ccc3-c3ccncc3)C[C@H]2C1 ZINC001238658749 1377000125 /nfs/dbraw/zinc/00/01/25/1377000125.db2.gz QUBVBHVEOVVSLX-RTBURBONSA-N 2 1 337.467 3.141 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001135305041 1377028471 /nfs/dbraw/zinc/02/84/71/1377028471.db2.gz GKHLRXCLQNUIKP-AWEZNQCLSA-N 2 1 348.878 3.092 20 0 EGADMP Clc1cccc2c1CC[C@H]([NH2+][C@H]1CCCC[C@@]13C[NH2+]CCO3)C2 ZINC001246157434 1377050276 /nfs/dbraw/zinc/05/02/76/1377050276.db2.gz AWVPTEZJPBSBAU-ZYSHUDEJSA-N 2 1 334.891 3.088 20 0 EGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246157446 1377050305 /nfs/dbraw/zinc/05/03/05/1377050305.db2.gz BDPCPBDTAUTOSN-FSPWUOQZSA-N 2 1 340.870 3.301 20 0 EGADMP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2CCCC[C@@]23C[NH2+]CCO3)cc1 ZINC001246159186 1377050434 /nfs/dbraw/zinc/05/04/34/1377050434.db2.gz JCLSIVUDPSMGFI-QXAKKESOSA-N 2 1 334.529 3.366 20 0 EGADMP [NH3+]C[C@@H]1CCCCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246546256 1377052133 /nfs/dbraw/zinc/05/21/33/1377052133.db2.gz ZVDFOAVXOQOWNJ-JSXRDJHFSA-N 2 1 327.516 3.385 20 0 EGADMP CC(C)[C@@H]1C[C@H]([N@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)CC[NH2+]1 ZINC001246724922 1377053536 /nfs/dbraw/zinc/05/35/36/1377053536.db2.gz ZWGLDFMVYMYZAW-QCFAMHMHSA-N 2 1 343.515 3.339 20 0 EGADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+]([C@@H]2CC[C@H](C)[NH2+]C2)C3)c1 ZINC001246727874 1377053658 /nfs/dbraw/zinc/05/36/58/1377053658.db2.gz WYUSVMRGPHSATO-KCLUMXDGSA-N 2 1 343.515 3.149 20 0 EGADMP C[C@H]1C[C@@H](N2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CC[NH2+]1 ZINC001246755220 1377054076 /nfs/dbraw/zinc/05/40/76/1377054076.db2.gz HSXINISIGMDDPD-IRXDYDNUSA-N 2 1 333.545 3.177 20 0 EGADMP C[C@H]1C[C@@H]([NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)CC[NH2+]1 ZINC001246755220 1377054079 /nfs/dbraw/zinc/05/40/79/1377054079.db2.gz HSXINISIGMDDPD-IRXDYDNUSA-N 3 1 333.545 3.177 20 0 EGADMP C[C@H]1C[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CC[NH2+]1 ZINC001246755220 1377054085 /nfs/dbraw/zinc/05/40/85/1377054085.db2.gz HSXINISIGMDDPD-IRXDYDNUSA-N 3 1 333.545 3.177 20 0 EGADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246749143 1377054377 /nfs/dbraw/zinc/05/43/77/1377054377.db2.gz VIFRBOWKESETNH-XYVMCAHJSA-N 2 1 347.528 3.239 20 0 EGADMP Fc1cccc(C[N@H+]([C@@H]2CCC[NH2+]C2)[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246938757 1377056269 /nfs/dbraw/zinc/05/62/69/1377056269.db2.gz TWGUZZOVNLKZTJ-PWRODBHTSA-N 3 1 345.506 3.302 20 0 EGADMP Fc1cccc(C[N@@H+]([C@@H]2CCC[NH2+]C2)[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246938757 1377056275 /nfs/dbraw/zinc/05/62/75/1377056275.db2.gz TWGUZZOVNLKZTJ-PWRODBHTSA-N 3 1 345.506 3.302 20 0 EGADMP Clc1ccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)cc1 ZINC001247909123 1377065290 /nfs/dbraw/zinc/06/52/90/1377065290.db2.gz FOENGWDIDLUYPY-UHFFFAOYSA-N 2 1 346.862 3.321 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+]CC2(Cc3ccccc3F)CCOCC2)CC1 ZINC001254510737 1377105470 /nfs/dbraw/zinc/10/54/70/1377105470.db2.gz QBAMYCFNUFOCOA-SFHVURJKSA-N 2 1 334.479 3.239 20 0 EGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254510379 1377105800 /nfs/dbraw/zinc/10/58/00/1377105800.db2.gz VERQTJNKSMRUTP-DZGCQCFKSA-N 2 1 325.294 3.454 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001254508504 1377105828 /nfs/dbraw/zinc/10/58/28/1377105828.db2.gz JXAYLLSXFJRPHC-SFHVURJKSA-N 2 1 335.923 3.378 20 0 EGADMP CCCC[N@@H+](C)CCC[NH2+]C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258518266 1377116888 /nfs/dbraw/zinc/11/68/88/1377116888.db2.gz FPXIDSJTJWJVLY-UHFFFAOYSA-N 2 1 326.525 3.410 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCCF ZINC001135584419 1377155138 /nfs/dbraw/zinc/15/51/38/1377155138.db2.gz NALSCERLHILUTP-HZPDHXFCSA-N 2 1 340.487 3.019 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(C)C ZINC001135690527 1377184951 /nfs/dbraw/zinc/18/49/51/1377184951.db2.gz IKYUANUDOLVSDK-MSOLQXFVSA-N 2 1 327.557 3.418 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2cccc(C)c2)C1 ZINC001266116104 1377192443 /nfs/dbraw/zinc/19/24/43/1377192443.db2.gz FNQZKFAALOWVGU-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(C)c2)C1 ZINC001266116104 1377192445 /nfs/dbraw/zinc/19/24/45/1377192445.db2.gz FNQZKFAALOWVGU-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(C)c2)C1 ZINC001266116104 1377192447 /nfs/dbraw/zinc/19/24/47/1377192447.db2.gz FNQZKFAALOWVGU-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001135860804 1377238330 /nfs/dbraw/zinc/23/83/30/1377238330.db2.gz HTIILQQYSMHHGH-RBUKOAKNSA-N 2 1 347.547 3.327 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1Cl ZINC001135975867 1377284729 /nfs/dbraw/zinc/28/47/29/1377284729.db2.gz DQYKVWRNYFCIJA-GJZGRUSLSA-N 2 1 339.911 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135977778 1377285074 /nfs/dbraw/zinc/28/50/74/1377285074.db2.gz YWCJBNISROXVFH-QZTJIDSGSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001135980332 1377286313 /nfs/dbraw/zinc/28/63/13/1377286313.db2.gz NVKPUFLAWMWRSV-SJORKVTESA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001135979971 1377286429 /nfs/dbraw/zinc/28/64/29/1377286429.db2.gz KRDUXSRZNFPQHN-RBUKOAKNSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001135981067 1377286561 /nfs/dbraw/zinc/28/65/61/1377286561.db2.gz XFBQGQPKLYVQID-GJZGRUSLSA-N 2 1 347.494 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001135995158 1377291683 /nfs/dbraw/zinc/29/16/83/1377291683.db2.gz AEIKYSGTXXHJRY-DLBZAZTESA-N 2 1 337.552 3.172 20 0 EGADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)[NH+]2CCCC2)cc1 ZINC001136479585 1377397452 /nfs/dbraw/zinc/39/74/52/1377397452.db2.gz OHOJENNPJZMTLS-RBUKOAKNSA-N 2 1 343.515 3.121 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CCC[NH+]1CC1CCC(C)(C)CC1)C1CCC1 ZINC001267271147 1377436606 /nfs/dbraw/zinc/43/66/06/1377436606.db2.gz ZUJMWIDMCQAFQW-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC(C)(C)CC1)C1CCC1 ZINC001267271147 1377436608 /nfs/dbraw/zinc/43/66/08/1377436608.db2.gz ZUJMWIDMCQAFQW-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@H+]1CC1CCC(C)(C)CC1)C1CCC1 ZINC001267271147 1377436610 /nfs/dbraw/zinc/43/66/10/1377436610.db2.gz ZUJMWIDMCQAFQW-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001267563686 1377458102 /nfs/dbraw/zinc/45/81/02/1377458102.db2.gz CYYZSQXFABESCA-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(-n2ccnn2)cc1 ZINC001137368106 1377533930 /nfs/dbraw/zinc/53/39/30/1377533930.db2.gz DOZNOATVFHROMK-PMACEKPBSA-N 2 1 339.487 3.106 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2ccnn2)cc1 ZINC001137368106 1377533934 /nfs/dbraw/zinc/53/39/34/1377533934.db2.gz DOZNOATVFHROMK-PMACEKPBSA-N 2 1 339.487 3.106 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2ccnn2)cc1 ZINC001137368106 1377533937 /nfs/dbraw/zinc/53/39/37/1377533937.db2.gz DOZNOATVFHROMK-PMACEKPBSA-N 2 1 339.487 3.106 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001269291259 1377547862 /nfs/dbraw/zinc/54/78/62/1377547862.db2.gz HRSRNGJEQYYKRS-ROUUACIJSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001269291259 1377547864 /nfs/dbraw/zinc/54/78/64/1377547864.db2.gz HRSRNGJEQYYKRS-ROUUACIJSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001269291259 1377547866 /nfs/dbraw/zinc/54/78/66/1377547866.db2.gz HRSRNGJEQYYKRS-ROUUACIJSA-N 2 1 345.531 3.224 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001269345928 1377552289 /nfs/dbraw/zinc/55/22/89/1377552289.db2.gz WVRGOZGOBLEJSD-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP COc1cccc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)n1 ZINC001137528536 1377561972 /nfs/dbraw/zinc/56/19/72/1377561972.db2.gz LIXZCPBZULQBMG-UHFFFAOYSA-N 2 1 348.450 3.269 20 0 EGADMP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(F)c(Br)c1)CC2 ZINC001137558385 1377565428 /nfs/dbraw/zinc/56/54/28/1377565428.db2.gz TWUUIBNNNHHESI-UHFFFAOYSA-N 2 1 327.241 3.116 20 0 EGADMP C[N@H+](Cc1cc(O)cc(O)c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001138331164 1377703823 /nfs/dbraw/zinc/70/38/23/1377703823.db2.gz PHHKLUZUNGURCW-UHFFFAOYSA-N 2 1 340.467 3.442 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ncccc1O)CC2 ZINC001138390753 1377714270 /nfs/dbraw/zinc/71/42/70/1377714270.db2.gz HHDLRHUQTRYVNB-LJQANCHMSA-N 2 1 341.455 3.257 20 0 EGADMP Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)no1 ZINC001138545213 1377739984 /nfs/dbraw/zinc/73/99/84/1377739984.db2.gz TTZXVAVIYLZOBU-QGZVFWFLSA-N 2 1 337.427 3.252 20 0 EGADMP Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)no1 ZINC001138545213 1377739987 /nfs/dbraw/zinc/73/99/87/1377739987.db2.gz TTZXVAVIYLZOBU-QGZVFWFLSA-N 2 1 337.427 3.252 20 0 EGADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[NH+]1CCCCCC1 ZINC001139362004 1377874268 /nfs/dbraw/zinc/87/42/68/1377874268.db2.gz SGNJWOQMFCJFLR-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP O=c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c[nH]1 ZINC001139471490 1377890620 /nfs/dbraw/zinc/89/06/20/1377890620.db2.gz XRTXYQDUNDBPSD-VQTJNVASSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c[nH]1 ZINC001139471490 1377890621 /nfs/dbraw/zinc/89/06/21/1377890621.db2.gz XRTXYQDUNDBPSD-VQTJNVASSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c[nH]1 ZINC001139471490 1377890622 /nfs/dbraw/zinc/89/06/22/1377890622.db2.gz XRTXYQDUNDBPSD-VQTJNVASSA-N 2 1 337.467 3.131 20 0 EGADMP Cn1ncc2ccc(C[N@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)cc21 ZINC001139907790 1377975432 /nfs/dbraw/zinc/97/54/32/1377975432.db2.gz NITWVZHXPNODIR-OALUTQOASA-N 2 1 326.488 3.412 20 0 EGADMP Cn1ncc2ccc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)cc21 ZINC001139907790 1377975444 /nfs/dbraw/zinc/97/54/44/1377975444.db2.gz NITWVZHXPNODIR-OALUTQOASA-N 2 1 326.488 3.412 20 0 EGADMP Cn1ncc2ccc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@H+]3C)cc21 ZINC001139907790 1377975448 /nfs/dbraw/zinc/97/54/48/1377975448.db2.gz NITWVZHXPNODIR-OALUTQOASA-N 2 1 326.488 3.412 20 0 EGADMP Cn1ncc2ccc(C[N@@H+](C3CCCC3)C3CCN(C)CC3)cc21 ZINC001139910638 1377976565 /nfs/dbraw/zinc/97/65/65/1377976565.db2.gz SFBLWNKUSYVBGJ-UHFFFAOYSA-N 2 1 326.488 3.412 20 0 EGADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccnnc3)C[C@@H]21 ZINC001139982543 1377986869 /nfs/dbraw/zinc/98/68/69/1377986869.db2.gz SFILVJOLPJKIFK-YTQUADARSA-N 2 1 342.512 3.271 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccnnc3)C[C@@H]21 ZINC001139982543 1377986870 /nfs/dbraw/zinc/98/68/70/1377986870.db2.gz SFILVJOLPJKIFK-YTQUADARSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccnnc3)C[C@@H]21 ZINC001139982543 1377986871 /nfs/dbraw/zinc/98/68/71/1377986871.db2.gz SFILVJOLPJKIFK-YTQUADARSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccnnc3)C[C@@H]21 ZINC001139982543 1377986872 /nfs/dbraw/zinc/98/68/72/1377986872.db2.gz SFILVJOLPJKIFK-YTQUADARSA-N 2 1 342.512 3.271 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+](Cc2cc3ccccc3cn2)CC1 ZINC001139998956 1377989707 /nfs/dbraw/zinc/98/97/07/1377989707.db2.gz KNBMUKOTOLTPQP-UHFFFAOYSA-N 2 1 340.515 3.084 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(Cl)ncc2F)CC1 ZINC001140609619 1378096655 /nfs/dbraw/zinc/09/66/55/1378096655.db2.gz RJEXGPSCSBMXGU-UHFFFAOYSA-N 2 1 334.826 3.317 20 0 EGADMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc3cc[nH]c31)C2 ZINC001275164100 1378136052 /nfs/dbraw/zinc/13/60/52/1378136052.db2.gz CHOMKMVVDHAKKH-OAQYLSRUSA-N 2 1 340.515 3.017 20 0 EGADMP NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140804745 1378143132 /nfs/dbraw/zinc/14/31/32/1378143132.db2.gz CNFCDLACXLIUJI-VQTJNVASSA-N 2 1 348.450 3.187 20 0 EGADMP NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140804745 1378143133 /nfs/dbraw/zinc/14/31/33/1378143133.db2.gz CNFCDLACXLIUJI-VQTJNVASSA-N 2 1 348.450 3.187 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001140972826 1378195731 /nfs/dbraw/zinc/19/57/31/1378195731.db2.gz AMXCFLMQCIYAMR-MRXNPFEDSA-N 2 1 341.421 3.213 20 0 EGADMP C[NH+]1CCC(N[C@@]23CC[C@@]([NH2+]CCCC(F)(F)F)(C2)CCC3)CC1 ZINC001277624879 1378240709 /nfs/dbraw/zinc/24/07/09/1378240709.db2.gz KTCIQLBTDYKIKY-SJORKVTESA-N 2 1 347.469 3.448 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[C@]12CC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2)C(C)C ZINC001278148778 1378259827 /nfs/dbraw/zinc/25/98/27/1378259827.db2.gz PWWAHSPMYDRDIQ-IRFCIJBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[C@]12CC[NH+](C[C@H]1CCC[N@H+](C)C1)C2)C(C)C ZINC001278148778 1378259840 /nfs/dbraw/zinc/25/98/40/1378259840.db2.gz PWWAHSPMYDRDIQ-IRFCIJBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[C@]12CC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2)C(C)C ZINC001278148778 1378259843 /nfs/dbraw/zinc/25/98/43/1378259843.db2.gz PWWAHSPMYDRDIQ-IRFCIJBXSA-N 2 1 349.563 3.077 20 0 EGADMP Fc1ccc(-c2noc([C@H]3CCC[N@@H+](C[C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC001327513531 1388543927 /nfs/dbraw/zinc/54/39/27/1388543927.db2.gz XJDPTFMNAXZNKJ-HOCLYGCPSA-N 2 1 344.434 3.055 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)CC1)CC(C)(C)C ZINC001280761370 1378370168 /nfs/dbraw/zinc/37/01/68/1378370168.db2.gz XCVHAMSJFHSEIP-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)CC1)CC(C)(C)C ZINC001280761370 1378370175 /nfs/dbraw/zinc/37/01/75/1378370175.db2.gz XCVHAMSJFHSEIP-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)CC(C)(C)C ZINC001280761370 1378370177 /nfs/dbraw/zinc/37/01/77/1378370177.db2.gz XCVHAMSJFHSEIP-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP CCC[N@@H+]1C[C@H]2CN(Cc3c(C)onc3-c3ccccc3)C[C@H]2C1 ZINC001141992152 1378402435 /nfs/dbraw/zinc/40/24/35/1378402435.db2.gz DGDSUTCSXPDMKP-HDICACEKSA-N 2 1 325.456 3.424 20 0 EGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3c(C)onc3-c3ccccc3)C[C@@H]2C1 ZINC001141992152 1378402436 /nfs/dbraw/zinc/40/24/36/1378402436.db2.gz DGDSUTCSXPDMKP-HDICACEKSA-N 2 1 325.456 3.424 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c(C)onc3-c3ccccc3)C[C@@H]2C1 ZINC001141992152 1378402437 /nfs/dbraw/zinc/40/24/37/1378402437.db2.gz DGDSUTCSXPDMKP-HDICACEKSA-N 2 1 325.456 3.424 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c(C)onc3-c3ccccc3)C[C@@H]2C1 ZINC001141992152 1378402438 /nfs/dbraw/zinc/40/24/38/1378402438.db2.gz DGDSUTCSXPDMKP-HDICACEKSA-N 2 1 325.456 3.424 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c(C)onc3-c3ccccc3)C[C@@H]2C1 ZINC001141992152 1378402439 /nfs/dbraw/zinc/40/24/39/1378402439.db2.gz DGDSUTCSXPDMKP-HDICACEKSA-N 2 1 325.456 3.424 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3CN(Cc4[nH+]cn5ccccc45)C[C@H]3C2)cc1 ZINC001144618423 1378751143 /nfs/dbraw/zinc/75/11/43/1378751143.db2.gz QXDYPKQRPVHCTA-WOJBJXKFSA-N 2 1 346.478 3.207 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3cccc4cc[nH]c43)C2)C1 ZINC001144712281 1378762675 /nfs/dbraw/zinc/76/26/75/1378762675.db2.gz RLXIJGPNDYLXTN-NRFANRHFSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3cccc4cc[nH]c43)C2)C1 ZINC001144712281 1378762676 /nfs/dbraw/zinc/76/26/76/1378762676.db2.gz RLXIJGPNDYLXTN-NRFANRHFSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3cccc4cc[nH]c43)C2)C1 ZINC001144712281 1378762677 /nfs/dbraw/zinc/76/26/77/1378762677.db2.gz RLXIJGPNDYLXTN-NRFANRHFSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3cccc4cc[nH]c43)C2)C1 ZINC001144712281 1378762678 /nfs/dbraw/zinc/76/26/78/1378762678.db2.gz RLXIJGPNDYLXTN-NRFANRHFSA-N 2 1 341.499 3.491 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001146334593 1378820120 /nfs/dbraw/zinc/82/01/20/1378820120.db2.gz YBFIUCZZAFGRSC-HZPDHXFCSA-N 2 1 334.508 3.035 20 0 EGADMP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001146594867 1378874757 /nfs/dbraw/zinc/87/47/57/1378874757.db2.gz VSVQRLZDUAOYLZ-MSOLQXFVSA-N 2 1 333.520 3.017 20 0 EGADMP CCc1ccc(CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001146599605 1378874847 /nfs/dbraw/zinc/87/48/47/1378874847.db2.gz CGDCCQNXMRZBCS-ROUUACIJSA-N 2 1 347.547 3.005 20 0 EGADMP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC001283621428 1379060582 /nfs/dbraw/zinc/06/05/82/1379060582.db2.gz KPWCTPSBMVYINM-VQIMIIECSA-N 2 1 331.504 3.059 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147985992 1379103219 /nfs/dbraw/zinc/10/32/19/1379103219.db2.gz LVQVNNLJOTUVIS-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@@H+](CC1CCC(C)(C)CC1)C2 ZINC001148469588 1379178913 /nfs/dbraw/zinc/17/89/13/1379178913.db2.gz OGLORYKMCKZNTC-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC2(C1)CC[N@@H+](CCCC(C)(C)C)C2 ZINC001148625985 1379229148 /nfs/dbraw/zinc/22/91/48/1379229148.db2.gz RMAFEAIWJKFUMY-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC1CCC(C)CC1)C2 ZINC001148656762 1379235133 /nfs/dbraw/zinc/23/51/33/1379235133.db2.gz CVAICKLCBQRTIR-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CC1CCC(C)CC1)C2 ZINC001148656762 1379235135 /nfs/dbraw/zinc/23/51/35/1379235135.db2.gz CVAICKLCBQRTIR-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CC1CCC(C)CC1)C2 ZINC001148656762 1379235139 /nfs/dbraw/zinc/23/51/39/1379235139.db2.gz CVAICKLCBQRTIR-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148839557 1379280749 /nfs/dbraw/zinc/28/07/49/1379280749.db2.gz RABUSBFRTADWSU-PLNGDYQASA-N 2 1 347.547 3.143 20 0 EGADMP Fc1cccc(-c2noc([C@@H]3CCC[N@@H+](C[C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC001327865893 1388609686 /nfs/dbraw/zinc/60/96/86/1388609686.db2.gz VNAPMHJOOYYSAW-GOEBONIOSA-N 2 1 344.434 3.055 20 0 EGADMP CC(C)(C)[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)CCc1cnc[nH]1 ZINC001284600084 1380001140 /nfs/dbraw/zinc/00/11/40/1380001140.db2.gz YXYZSWFBQCGQNY-GOSISDBHSA-N 2 1 348.535 3.433 20 0 EGADMP CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001153361961 1380063684 /nfs/dbraw/zinc/06/36/84/1380063684.db2.gz IZNDYQHVQPSWMP-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CCC1CC1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153361961 1380063691 /nfs/dbraw/zinc/06/36/91/1380063691.db2.gz IZNDYQHVQPSWMP-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CCC1CC1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153361961 1380063695 /nfs/dbraw/zinc/06/36/95/1380063695.db2.gz IZNDYQHVQPSWMP-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001153446093 1380077945 /nfs/dbraw/zinc/07/79/45/1380077945.db2.gz OOMUXABXUDXEFY-IAGOWNOFSA-N 2 1 336.524 3.413 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001153446093 1380077947 /nfs/dbraw/zinc/07/79/47/1380077947.db2.gz OOMUXABXUDXEFY-IAGOWNOFSA-N 2 1 336.524 3.413 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001153814684 1380134842 /nfs/dbraw/zinc/13/48/42/1380134842.db2.gz RUPMLQQFVHUQLT-RTBURBONSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001153814684 1380134845 /nfs/dbraw/zinc/13/48/45/1380134845.db2.gz RUPMLQQFVHUQLT-RTBURBONSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001153814684 1380134848 /nfs/dbraw/zinc/13/48/48/1380134848.db2.gz RUPMLQQFVHUQLT-RTBURBONSA-N 2 1 339.568 3.227 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001153819055 1380136182 /nfs/dbraw/zinc/13/61/82/1380136182.db2.gz LPJUVNIFSBFZFR-MJGOQNOKSA-N 2 1 337.552 3.410 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001153819055 1380136183 /nfs/dbraw/zinc/13/61/83/1380136183.db2.gz LPJUVNIFSBFZFR-MJGOQNOKSA-N 2 1 337.552 3.410 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001153819055 1380136184 /nfs/dbraw/zinc/13/61/84/1380136184.db2.gz LPJUVNIFSBFZFR-MJGOQNOKSA-N 2 1 337.552 3.410 20 0 EGADMP CC[N@@H+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154030041 1380186110 /nfs/dbraw/zinc/18/61/10/1380186110.db2.gz VEPKWGVNYNBWHG-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154030041 1380186111 /nfs/dbraw/zinc/18/61/11/1380186111.db2.gz VEPKWGVNYNBWHG-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154030041 1380186115 /nfs/dbraw/zinc/18/61/15/1380186115.db2.gz VEPKWGVNYNBWHG-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580162 1380308996 /nfs/dbraw/zinc/30/89/96/1380308996.db2.gz QPZANOYQKJRJGH-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580009 1380309285 /nfs/dbraw/zinc/30/92/85/1380309285.db2.gz KFUWOKRXQUWDOA-ZWKOTPCHSA-N 2 1 339.568 3.370 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCC(C)(C)C)C1 ZINC001154784809 1380350596 /nfs/dbraw/zinc/35/05/96/1380350596.db2.gz LZPFKBOHPGCNQR-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCC(C)(C)C)C1 ZINC001154784809 1380350597 /nfs/dbraw/zinc/35/05/97/1380350597.db2.gz LZPFKBOHPGCNQR-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)(C)C)C1 ZINC001154784809 1380350599 /nfs/dbraw/zinc/35/05/99/1380350599.db2.gz LZPFKBOHPGCNQR-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001154844326 1380362952 /nfs/dbraw/zinc/36/29/52/1380362952.db2.gz BGMWZYMXCLDNGG-IEBWSBKVSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001154844326 1380362955 /nfs/dbraw/zinc/36/29/55/1380362955.db2.gz BGMWZYMXCLDNGG-IEBWSBKVSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001154844326 1380362958 /nfs/dbraw/zinc/36/29/58/1380362958.db2.gz BGMWZYMXCLDNGG-IEBWSBKVSA-N 2 1 337.552 3.410 20 0 EGADMP CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001154844622 1380364145 /nfs/dbraw/zinc/36/41/45/1380364145.db2.gz QHRNPIFIBVGGDQ-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](CCC1CC1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001154844622 1380364150 /nfs/dbraw/zinc/36/41/50/1380364150.db2.gz QHRNPIFIBVGGDQ-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](CCC1CC1)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001154844622 1380364153 /nfs/dbraw/zinc/36/41/53/1380364153.db2.gz QHRNPIFIBVGGDQ-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898783 1380374467 /nfs/dbraw/zinc/37/44/67/1380374467.db2.gz SLWAYUZMCPAKLC-QGZVFWFLSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154909871 1380375605 /nfs/dbraw/zinc/37/56/05/1380375605.db2.gz VDFOUHBMKPTJPP-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066145 1380401579 /nfs/dbraw/zinc/40/15/79/1380401579.db2.gz DVXQEFLIGBQKGF-UYAOXDASSA-N 2 1 347.547 3.216 20 0 EGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155085959 1380405991 /nfs/dbraw/zinc/40/59/91/1380405991.db2.gz VXPIPNQLUHJZEQ-IEBWSBKVSA-N 2 1 337.552 3.290 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)(C)C)[NH+](CC)CC ZINC001155180912 1380420210 /nfs/dbraw/zinc/42/02/10/1380420210.db2.gz WQJNOEDJHXJIQP-IAGOWNOFSA-N 2 1 327.557 3.370 20 0 EGADMP CC[N@@H+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226113 1380426296 /nfs/dbraw/zinc/42/62/96/1380426296.db2.gz HMCARMIOBGSUDZ-OBIQQPLYSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155226113 1380426297 /nfs/dbraw/zinc/42/62/97/1380426297.db2.gz HMCARMIOBGSUDZ-OBIQQPLYSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155226113 1380426298 /nfs/dbraw/zinc/42/62/98/1380426298.db2.gz HMCARMIOBGSUDZ-OBIQQPLYSA-N 2 1 343.515 3.011 20 0 EGADMP CC[N@@H+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226684 1380426766 /nfs/dbraw/zinc/42/67/66/1380426766.db2.gz NGEJLVGVTYRZPV-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155226684 1380426767 /nfs/dbraw/zinc/42/67/67/1380426767.db2.gz NGEJLVGVTYRZPV-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155226684 1380426768 /nfs/dbraw/zinc/42/67/68/1380426768.db2.gz NGEJLVGVTYRZPV-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)C[C@@H](C)n1ccnc1 ZINC001155520856 1380463605 /nfs/dbraw/zinc/46/36/05/1380463605.db2.gz DQZXKXYFXJGMFR-IAGOWNOFSA-N 2 1 332.492 3.161 20 0 EGADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001155802148 1380493497 /nfs/dbraw/zinc/49/34/97/1380493497.db2.gz GVTCEXKKDPOGAE-OXQOHEQNSA-N 2 1 339.483 3.091 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CCC1CC1 ZINC001155877914 1380501803 /nfs/dbraw/zinc/50/18/03/1380501803.db2.gz NCLHAMVQVKBPEH-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CCC1CC1 ZINC001155877914 1380501804 /nfs/dbraw/zinc/50/18/04/1380501804.db2.gz NCLHAMVQVKBPEH-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CCC1CC1 ZINC001155877914 1380501805 /nfs/dbraw/zinc/50/18/05/1380501805.db2.gz NCLHAMVQVKBPEH-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CN(C)c1cc[nH+]c(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC001156315372 1380556839 /nfs/dbraw/zinc/55/68/39/1380556839.db2.gz BEPAKDYBHQDBSE-MISYRCLQSA-N 2 1 336.483 3.470 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156465863 1380579334 /nfs/dbraw/zinc/57/93/34/1380579334.db2.gz FLXUSPQIWABSEQ-GOSISDBHSA-N 2 1 333.520 3.054 20 0 EGADMP CC[N@@H+](Cc1ccccc1C)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098495 1380775291 /nfs/dbraw/zinc/77/52/91/1380775291.db2.gz IEDHHIQTIVQGDV-LJQANCHMSA-N 2 1 345.531 3.198 20 0 EGADMP CC[N@@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109944 1380779018 /nfs/dbraw/zinc/77/90/18/1380779018.db2.gz WHILZWUUPVCJBN-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](Cc1cccc(F)c1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001157109944 1380779024 /nfs/dbraw/zinc/77/90/24/1380779024.db2.gz WHILZWUUPVCJBN-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](Cc1cccc(F)c1)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001157109944 1380779026 /nfs/dbraw/zinc/77/90/26/1380779026.db2.gz WHILZWUUPVCJBN-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157132432 1380782970 /nfs/dbraw/zinc/78/29/70/1380782970.db2.gz GTLKRNIEKDHBSU-IEBWSBKVSA-N 2 1 333.520 3.306 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157132432 1380782974 /nfs/dbraw/zinc/78/29/74/1380782974.db2.gz GTLKRNIEKDHBSU-IEBWSBKVSA-N 2 1 333.520 3.306 20 0 EGADMP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157701643 1381007625 /nfs/dbraw/zinc/00/76/25/1381007625.db2.gz GVUBZIBWWHPCJF-KAGICYHLSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001157701643 1381007628 /nfs/dbraw/zinc/00/76/28/1381007628.db2.gz GVUBZIBWWHPCJF-KAGICYHLSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001157701643 1381007631 /nfs/dbraw/zinc/00/76/31/1381007631.db2.gz GVUBZIBWWHPCJF-KAGICYHLSA-N 2 1 335.536 3.140 20 0 EGADMP C[N@@H+](CCCC1CCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157702597 1381008350 /nfs/dbraw/zinc/00/83/50/1381008350.db2.gz ZAAYSMGMORZRDO-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001157702597 1381008355 /nfs/dbraw/zinc/00/83/55/1381008355.db2.gz ZAAYSMGMORZRDO-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001157702597 1381008357 /nfs/dbraw/zinc/00/83/57/1381008357.db2.gz ZAAYSMGMORZRDO-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1cc(C)c(C[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001157887879 1381061331 /nfs/dbraw/zinc/06/13/31/1381061331.db2.gz ZNKKEKSOGBKBTD-HXUWFJFHSA-N 2 1 345.531 3.081 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)nc1 ZINC001157987732 1381094089 /nfs/dbraw/zinc/09/40/89/1381094089.db2.gz PYNJGNGDXKCHGV-IEBWSBKVSA-N 2 1 339.487 3.020 20 0 EGADMP CCC/C=C\CC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158098783 1381126554 /nfs/dbraw/zinc/12/65/54/1381126554.db2.gz JUBKWQSOGCYNKG-HMECNJMJSA-N 2 1 349.563 3.483 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3nccc4cc(F)c(Cl)cc43)CC2)C1 ZINC001158270484 1381180422 /nfs/dbraw/zinc/18/04/22/1381180422.db2.gz TXYUCGATASYZFA-CYBMUJFWSA-N 2 1 348.853 3.029 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](C2CCN(c3nccc4cc(F)c(Cl)cc43)CC2)C1 ZINC001158270484 1381180425 /nfs/dbraw/zinc/18/04/25/1381180425.db2.gz TXYUCGATASYZFA-CYBMUJFWSA-N 2 1 348.853 3.029 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158336178 1381206157 /nfs/dbraw/zinc/20/61/57/1381206157.db2.gz JAGNGEQUDXGCLT-MOPGFXCFSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001158336178 1381206164 /nfs/dbraw/zinc/20/61/64/1381206164.db2.gz JAGNGEQUDXGCLT-MOPGFXCFSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001158336178 1381206171 /nfs/dbraw/zinc/20/61/71/1381206171.db2.gz JAGNGEQUDXGCLT-MOPGFXCFSA-N 2 1 337.552 3.364 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001158386015 1381227971 /nfs/dbraw/zinc/22/79/71/1381227971.db2.gz UZVGTNPODVTFQH-GBESFXJTSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001158386015 1381227976 /nfs/dbraw/zinc/22/79/76/1381227976.db2.gz UZVGTNPODVTFQH-GBESFXJTSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001158386015 1381227980 /nfs/dbraw/zinc/22/79/80/1381227980.db2.gz UZVGTNPODVTFQH-GBESFXJTSA-N 2 1 337.552 3.076 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158450391 1381249018 /nfs/dbraw/zinc/24/90/18/1381249018.db2.gz PHKCREQQDBTGKT-RTBURBONSA-N 2 1 345.531 3.321 20 0 EGADMP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001158554392 1381295840 /nfs/dbraw/zinc/29/58/40/1381295840.db2.gz JIVLIAYWXPMBKZ-RRFGBZISSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001158598377 1381314908 /nfs/dbraw/zinc/31/49/08/1381314908.db2.gz WIECUXPNVCUCTR-LJQANCHMSA-N 2 1 348.535 3.475 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001158598377 1381314914 /nfs/dbraw/zinc/31/49/14/1381314914.db2.gz WIECUXPNVCUCTR-LJQANCHMSA-N 2 1 348.535 3.475 20 0 EGADMP C[C@@]1(C[NH3+])CCCN(c2[nH+]cnc3c2ccn3Cc2ccccc2)C1 ZINC001158679761 1381348043 /nfs/dbraw/zinc/34/80/43/1381348043.db2.gz XNVZJMXQXKVNPT-FQEVSTJZSA-N 2 1 335.455 3.045 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CC2(CCC2)C1 ZINC001158714523 1381362908 /nfs/dbraw/zinc/36/29/08/1381362908.db2.gz RPGADWNJEDYMPX-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC2(CCC2)C1 ZINC001158714523 1381362911 /nfs/dbraw/zinc/36/29/11/1381362911.db2.gz RPGADWNJEDYMPX-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC2(CCC2)C1 ZINC001158714523 1381362918 /nfs/dbraw/zinc/36/29/18/1381362918.db2.gz RPGADWNJEDYMPX-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001158786820 1381399769 /nfs/dbraw/zinc/39/97/69/1381399769.db2.gz HPJIZMBQFACKDO-CSHXORCISA-N 2 1 337.552 3.388 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001158786820 1381399772 /nfs/dbraw/zinc/39/97/72/1381399772.db2.gz HPJIZMBQFACKDO-CSHXORCISA-N 2 1 337.552 3.388 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001158786820 1381399776 /nfs/dbraw/zinc/39/97/76/1381399776.db2.gz HPJIZMBQFACKDO-CSHXORCISA-N 2 1 337.552 3.388 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCCF)c1 ZINC001158913763 1381461787 /nfs/dbraw/zinc/46/17/87/1381461787.db2.gz BRDVZKHWQIXBHO-LJQANCHMSA-N 2 1 349.494 3.034 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CCCC1CCC1 ZINC001158922527 1381464938 /nfs/dbraw/zinc/46/49/38/1381464938.db2.gz BZOVPLPLBGCSHK-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC1CCC1 ZINC001158922527 1381464941 /nfs/dbraw/zinc/46/49/41/1381464941.db2.gz BZOVPLPLBGCSHK-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC1CCC1 ZINC001158922527 1381464946 /nfs/dbraw/zinc/46/49/46/1381464946.db2.gz BZOVPLPLBGCSHK-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001158955702 1381484385 /nfs/dbraw/zinc/48/43/85/1381484385.db2.gz STLAFWKUPGIURC-HXUWFJFHSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001158955702 1381484386 /nfs/dbraw/zinc/48/43/86/1381484386.db2.gz STLAFWKUPGIURC-HXUWFJFHSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001158955702 1381484387 /nfs/dbraw/zinc/48/43/87/1381484387.db2.gz STLAFWKUPGIURC-HXUWFJFHSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001158955702 1381484388 /nfs/dbraw/zinc/48/43/88/1381484388.db2.gz STLAFWKUPGIURC-HXUWFJFHSA-N 2 1 345.531 3.087 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1C ZINC001159334275 1381768090 /nfs/dbraw/zinc/76/80/90/1381768090.db2.gz BNVOIZGFFBCHKX-PKOBYXMFSA-N 2 1 331.504 3.026 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CCC2CCCCC2)C1 ZINC001159837211 1381917078 /nfs/dbraw/zinc/91/70/78/1381917078.db2.gz BTUYQEOBJLLUIK-IBGZPJMESA-N 2 1 337.552 3.031 20 0 EGADMP CCc1ccccc1C[NH2+]CCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001159907576 1381934167 /nfs/dbraw/zinc/93/41/67/1381934167.db2.gz AFFQFNRFKDTMRC-HXUWFJFHSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001159908702 1381934258 /nfs/dbraw/zinc/93/42/58/1381934258.db2.gz IWLJHJDAQQTECQ-ROUUACIJSA-N 2 1 325.541 3.027 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001159909209 1381934795 /nfs/dbraw/zinc/93/47/95/1381934795.db2.gz LEVWCOMVTWVVON-IBGZPJMESA-N 2 1 337.552 3.316 20 0 EGADMP O=C(NCCC[NH2+]CCCC1CCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159915782 1381936721 /nfs/dbraw/zinc/93/67/21/1381936721.db2.gz NUTWSDVJYPLJMO-LJQANCHMSA-N 2 1 335.536 3.070 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119750 1382003560 /nfs/dbraw/zinc/00/35/60/1382003560.db2.gz HUPQEFFNCKTJPS-PRPIBZDOSA-N 2 1 347.547 3.354 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160119750 1382003567 /nfs/dbraw/zinc/00/35/67/1382003567.db2.gz HUPQEFFNCKTJPS-PRPIBZDOSA-N 2 1 347.547 3.354 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160119750 1382003571 /nfs/dbraw/zinc/00/35/71/1382003571.db2.gz HUPQEFFNCKTJPS-PRPIBZDOSA-N 2 1 347.547 3.354 20 0 EGADMP Fc1ccc(O[C@@H]2CC[NH2+]C2)c(Nc2cc[nH+]cc2C(F)(F)F)c1 ZINC001160141902 1382013663 /nfs/dbraw/zinc/01/36/63/1382013663.db2.gz QFSYJLNZNKPBON-LLVKDONJSA-N 2 1 341.308 3.146 20 0 EGADMP CCCC[N@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169336 1382023085 /nfs/dbraw/zinc/02/30/85/1382023085.db2.gz QAKYLYMFVPJVPV-KRWDZBQOSA-N 2 1 346.519 3.335 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169336 1382023087 /nfs/dbraw/zinc/02/30/87/1382023087.db2.gz QAKYLYMFVPJVPV-KRWDZBQOSA-N 2 1 346.519 3.335 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175537 1382025111 /nfs/dbraw/zinc/02/51/11/1382025111.db2.gz XJUSGAMISDXLSU-QWFCFKBJSA-N 2 1 349.563 3.147 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175537 1382025113 /nfs/dbraw/zinc/02/51/13/1382025113.db2.gz XJUSGAMISDXLSU-QWFCFKBJSA-N 2 1 349.563 3.147 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175537 1382025118 /nfs/dbraw/zinc/02/51/18/1382025118.db2.gz XJUSGAMISDXLSU-QWFCFKBJSA-N 2 1 349.563 3.147 20 0 EGADMP Nc1[nH+]cccc1Nc1ccc([C@@H](O)C[NH2+]CCc2ccccc2)cc1 ZINC001160255221 1382050959 /nfs/dbraw/zinc/05/09/59/1382050959.db2.gz IPBIGDJNNAISQD-FQEVSTJZSA-N 2 1 348.450 3.273 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C)c1ccc(F)cc1 ZINC001160273202 1382058536 /nfs/dbraw/zinc/05/85/36/1382058536.db2.gz JJUXPDPLLLJJKU-OALUTQOASA-N 2 1 349.494 3.247 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)CC[C@H]2CCC[N@H+]2C)c1 ZINC001160273349 1382058743 /nfs/dbraw/zinc/05/87/43/1382058743.db2.gz KSMFPGPRSSCOHT-IEBWSBKVSA-N 2 1 331.504 3.026 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CC(C)C2)CC1 ZINC001160285165 1382060708 /nfs/dbraw/zinc/06/07/08/1382060708.db2.gz CIJCMJWYVBIVMU-LYBXBRPPSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC2CC(C)C2)CC1 ZINC001160285165 1382060712 /nfs/dbraw/zinc/06/07/12/1382060712.db2.gz CIJCMJWYVBIVMU-LYBXBRPPSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC2CC(C)C2)CC1 ZINC001160285165 1382060716 /nfs/dbraw/zinc/06/07/16/1382060716.db2.gz CIJCMJWYVBIVMU-LYBXBRPPSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160286526 1382062357 /nfs/dbraw/zinc/06/23/57/1382062357.db2.gz TYITVUKWFYZKRS-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001160286526 1382062362 /nfs/dbraw/zinc/06/23/62/1382062362.db2.gz TYITVUKWFYZKRS-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001160286526 1382062366 /nfs/dbraw/zinc/06/23/66/1382062366.db2.gz TYITVUKWFYZKRS-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP CC[C@H](C(=O)NCCC1=CC[N@@H+](CCCC(C)(C)C)CC1)[NH+](C)C ZINC001160479200 1382119100 /nfs/dbraw/zinc/11/91/00/1382119100.db2.gz TZFKJUWVOOMHOM-GOSISDBHSA-N 2 1 337.552 3.291 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CCC2CCCC2)CC1 ZINC001160500744 1382125442 /nfs/dbraw/zinc/12/54/42/1382125442.db2.gz RRWBIZZNDGUDKW-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001160500744 1382125446 /nfs/dbraw/zinc/12/54/46/1382125446.db2.gz RRWBIZZNDGUDKW-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CCC2CCCC2)CC1 ZINC001160500744 1382125451 /nfs/dbraw/zinc/12/54/51/1382125451.db2.gz RRWBIZZNDGUDKW-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP [NH3+]C[C@@]1(Nc2nc(Cl)cc(C3CCCCC3)n2)C[NH+]2CCC1CC2 ZINC001160521075 1382130762 /nfs/dbraw/zinc/13/07/62/1382130762.db2.gz VMCWZWSIIRGQOU-GOSISDBHSA-N 2 1 349.910 3.013 20 0 EGADMP COc1ccc2c[nH+]c(N[C@H]3CC[NH2+]C[C@H]3C(F)(F)F)cc2c1 ZINC001160742748 1382184471 /nfs/dbraw/zinc/18/44/71/1382184471.db2.gz VQVABJVLWMRXQU-KGLIPLIRSA-N 2 1 325.334 3.196 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161102139 1382297885 /nfs/dbraw/zinc/29/78/85/1382297885.db2.gz VBUAGNCTGHTYDF-SFHVURJKSA-N 2 1 349.563 3.149 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001161207057 1382341514 /nfs/dbraw/zinc/34/15/14/1382341514.db2.gz PQFSTWGXCDVGQS-QGZVFWFLSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001161207057 1382341516 /nfs/dbraw/zinc/34/15/16/1382341516.db2.gz PQFSTWGXCDVGQS-QGZVFWFLSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001161207057 1382341522 /nfs/dbraw/zinc/34/15/22/1382341522.db2.gz PQFSTWGXCDVGQS-QGZVFWFLSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@@H](C(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1)[NH+](CC)CC ZINC001161212746 1382343733 /nfs/dbraw/zinc/34/37/33/1382343733.db2.gz AEIQLAXHMYFONH-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001161220197 1382347155 /nfs/dbraw/zinc/34/71/55/1382347155.db2.gz YMMQKPBCAPMCQP-RTBURBONSA-N 2 1 349.563 3.149 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383273 1382391956 /nfs/dbraw/zinc/39/19/56/1382391956.db2.gz OSSDGVSCCKXRFF-RBUKOAKNSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161391946 1382397767 /nfs/dbraw/zinc/39/77/67/1382397767.db2.gz ZNBPAASUZWBBMC-HXUWFJFHSA-N 2 1 347.547 3.354 20 0 EGADMP CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391946 1382397770 /nfs/dbraw/zinc/39/77/70/1382397770.db2.gz ZNBPAASUZWBBMC-HXUWFJFHSA-N 2 1 347.547 3.354 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391946 1382397773 /nfs/dbraw/zinc/39/77/73/1382397773.db2.gz ZNBPAASUZWBBMC-HXUWFJFHSA-N 2 1 347.547 3.354 20 0 EGADMP Cc1ccc(C[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)cc1 ZINC001161532562 1382433138 /nfs/dbraw/zinc/43/31/38/1382433138.db2.gz XKPBCKDWUJHQMD-UHFFFAOYSA-N 2 1 345.531 3.244 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001161643728 1382468488 /nfs/dbraw/zinc/46/84/88/1382468488.db2.gz AJTRCSXTDFWRMM-QFBILLFUSA-N 2 1 349.494 3.103 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC001161644926 1382468609 /nfs/dbraw/zinc/46/86/09/1382468609.db2.gz VGEFNONLXPQPLQ-QFBILLFUSA-N 2 1 349.494 3.103 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)CC)CC1 ZINC001161645717 1382469477 /nfs/dbraw/zinc/46/94/77/1382469477.db2.gz PJFJFZXWWMHEKO-BQYQJAHWSA-N 2 1 335.536 3.213 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001161645717 1382469479 /nfs/dbraw/zinc/46/94/79/1382469479.db2.gz PJFJFZXWWMHEKO-BQYQJAHWSA-N 2 1 335.536 3.213 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001161645717 1382469484 /nfs/dbraw/zinc/46/94/84/1382469484.db2.gz PJFJFZXWWMHEKO-BQYQJAHWSA-N 2 1 335.536 3.213 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161704857 1382485304 /nfs/dbraw/zinc/48/53/04/1382485304.db2.gz IGYSNWQQOMHWPT-RTBURBONSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+](C)CCCCNc1nccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001161724441 1382489476 /nfs/dbraw/zinc/48/94/76/1382489476.db2.gz IQRYNVRYGPHJJU-UHFFFAOYSA-N 2 1 338.499 3.394 20 0 EGADMP C[NH+](C)CCCCC(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001161733438 1382491649 /nfs/dbraw/zinc/49/16/49/1382491649.db2.gz CBAUFIJZQXLVOJ-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001161924619 1382554223 /nfs/dbraw/zinc/55/42/23/1382554223.db2.gz GPOXUCHZTOPQIG-HDICACEKSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001161924619 1382554231 /nfs/dbraw/zinc/55/42/31/1382554231.db2.gz GPOXUCHZTOPQIG-HDICACEKSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001161924619 1382554240 /nfs/dbraw/zinc/55/42/40/1382554240.db2.gz GPOXUCHZTOPQIG-HDICACEKSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161938490 1382562645 /nfs/dbraw/zinc/56/26/45/1382562645.db2.gz OMHANUFHPMLSDT-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)NCCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001161993559 1382592510 /nfs/dbraw/zinc/59/25/10/1382592510.db2.gz DTUBXAYXOSJHQA-UHFFFAOYSA-N 2 1 347.547 3.191 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ncccc1C ZINC001328660437 1388800818 /nfs/dbraw/zinc/80/08/18/1388800818.db2.gz XWJAWOYMFLUJGK-UHFFFAOYSA-N 2 1 327.472 3.400 20 0 EGADMP C[C@@H]1C[C@@H](CNc2cc(NC(=O)Nc3ccccc3)cc[nH+]2)C[NH2+]1 ZINC001162555558 1382788802 /nfs/dbraw/zinc/78/88/02/1382788802.db2.gz UYVVFLLUNNQHRU-ZIAGYGMSSA-N 2 1 325.416 3.136 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001162605824 1382806343 /nfs/dbraw/zinc/80/63/43/1382806343.db2.gz IQIWSVDIXCTFCA-QGZVFWFLSA-N 2 1 342.487 3.172 20 0 EGADMP CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001162935456 1382920931 /nfs/dbraw/zinc/92/09/31/1382920931.db2.gz XFZPVZGHNJJBGF-UHFFFAOYSA-N 2 1 347.547 3.035 20 0 EGADMP Cc1[nH+]c2ccc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)cc2n1C(C)C ZINC001163283105 1383012798 /nfs/dbraw/zinc/01/27/98/1383012798.db2.gz DRJXFVGZCDWMTN-UZLBHIALSA-N 2 1 342.487 3.496 20 0 EGADMP C[N@H+]1CCN(c2ccc(C[NH+]3CCCC3)cn2)[C@H](c2ccccc2)C1 ZINC001163675165 1383102581 /nfs/dbraw/zinc/10/25/81/1383102581.db2.gz YGJYCPWUENBWNU-FQEVSTJZSA-N 2 1 336.483 3.171 20 0 EGADMP C[NH+](C)C1(CNc2ccnc(Oc3ccccc3)c2)CC[NH+](C)CC1 ZINC001164211740 1383166342 /nfs/dbraw/zinc/16/63/42/1383166342.db2.gz RENFWRXZANAWBO-UHFFFAOYSA-N 2 1 340.471 3.312 20 0 EGADMP Nc1[nH]c2ccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)cc2[nH+]1 ZINC001164491171 1383192859 /nfs/dbraw/zinc/19/28/59/1383192859.db2.gz CMHGNIKVTAAQDF-BPQIPLTHSA-N 2 1 347.466 3.468 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164508479 1383194704 /nfs/dbraw/zinc/19/47/04/1383194704.db2.gz AUYKQRUSSMPDMI-GOSISDBHSA-N 2 1 337.552 3.316 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)nc1 ZINC001165152686 1383237772 /nfs/dbraw/zinc/23/77/72/1383237772.db2.gz VLPNCMCCJQHJMK-GBESFXJTSA-N 2 1 328.504 3.016 20 0 EGADMP C[C@@H]1CN(c2cc(C[NH+](C)C)ccn2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001165202973 1383248625 /nfs/dbraw/zinc/24/86/25/1383248625.db2.gz QSYSKOPPHRTTSH-MSOLQXFVSA-N 2 1 338.499 3.242 20 0 EGADMP COc1ccc2c(C)cc(N3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)[nH+]c2c1 ZINC001165434271 1383296248 /nfs/dbraw/zinc/29/62/48/1383296248.db2.gz QVYRVFARYXBHKO-XJKSGUPXSA-N 2 1 329.419 3.065 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165473280 1383300060 /nfs/dbraw/zinc/30/00/60/1383300060.db2.gz ZGGPQGJJYGNUEE-ZMBJWTFHSA-N 2 1 349.563 3.482 20 0 EGADMP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001165485189 1383301770 /nfs/dbraw/zinc/30/17/70/1383301770.db2.gz OLUIBATYMLJBAT-QGZVFWFLSA-N 2 1 346.519 3.073 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001165736032 1383335005 /nfs/dbraw/zinc/33/50/05/1383335005.db2.gz GTJIHHFOIYNEMV-OALUTQOASA-N 2 1 349.563 3.316 20 0 EGADMP CC1CCC(C[NH2+]CC2(CCNC(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001165764126 1383341696 /nfs/dbraw/zinc/34/16/96/1383341696.db2.gz MPDPDWFAHFZKQR-CTWPCTMYSA-N 2 1 349.563 3.173 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165927296 1383365819 /nfs/dbraw/zinc/36/58/19/1383365819.db2.gz ZRZWADPUKQKOPV-UEKDZROGSA-N 2 1 349.563 3.339 20 0 EGADMP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165926848 1383366016 /nfs/dbraw/zinc/36/60/16/1383366016.db2.gz GUALLDPZSYOTMF-QZTJIDSGSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001166677406 1383458402 /nfs/dbraw/zinc/45/84/02/1383458402.db2.gz IZZYAXUUCQGTHL-QZTJIDSGSA-N 2 1 345.531 3.309 20 0 EGADMP CCCc1ccc(C[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001166744269 1383469948 /nfs/dbraw/zinc/46/99/48/1383469948.db2.gz OJJCZSHWDAUNJQ-UHFFFAOYSA-N 2 1 347.547 3.213 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC001167475951 1383644953 /nfs/dbraw/zinc/64/49/53/1383644953.db2.gz NWBIWQQMESQDEA-QZTJIDSGSA-N 2 1 348.535 3.319 20 0 EGADMP C[C@@H](C(=O)Nc1c[nH+]ccc1Nc1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001300171453 1383649889 /nfs/dbraw/zinc/64/98/89/1383649889.db2.gz JNEYLYLSRSWHOA-XHSDSOJGSA-N 2 1 338.455 3.447 20 0 EGADMP C[C@@H](C(=O)Nc1c[nH+]ccc1Nc1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001300171453 1383649892 /nfs/dbraw/zinc/64/98/92/1383649892.db2.gz JNEYLYLSRSWHOA-XHSDSOJGSA-N 2 1 338.455 3.447 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001167640027 1383695610 /nfs/dbraw/zinc/69/56/10/1383695610.db2.gz KMFNDPRHSMIHPN-SFHVURJKSA-N 2 1 345.531 3.274 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCCC2(C[NH2+]CCC3=CCCCC3)CC2)C1 ZINC001167737674 1383726160 /nfs/dbraw/zinc/72/61/60/1383726160.db2.gz YJTFSQVUTQPROR-IBGZPJMESA-N 2 1 347.547 3.095 20 0 EGADMP CC[NH+](CC)Cc1cc(NCc2ccc(N)[nH+]c2C)ccc1OC ZINC001167787190 1383741419 /nfs/dbraw/zinc/74/14/19/1383741419.db2.gz SSOZCRAZZVAXCD-UHFFFAOYSA-N 2 1 328.460 3.435 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001167814973 1383746848 /nfs/dbraw/zinc/74/68/48/1383746848.db2.gz LBDUGVPBKZCSLL-UHFFFAOYSA-N 2 1 325.541 3.031 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC001167824045 1383749665 /nfs/dbraw/zinc/74/96/65/1383749665.db2.gz BEWOLZNQRCZJRL-INIZCTEOSA-N 2 1 332.488 3.342 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@]2(CCCCN2C(C)=O)C1 ZINC001167826278 1383750424 /nfs/dbraw/zinc/75/04/24/1383750424.db2.gz OERVITYREVPKJQ-UYAOXDASSA-N 2 1 337.552 3.364 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001167825228 1383750431 /nfs/dbraw/zinc/75/04/31/1383750431.db2.gz ICQIWPGRXDWAMX-IRXDYDNUSA-N 2 1 341.540 3.344 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)N1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001167826235 1383750479 /nfs/dbraw/zinc/75/04/79/1383750479.db2.gz NASIBMSZHRYPOM-GOSISDBHSA-N 3 1 349.567 3.049 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](Oc2ncccc2OC)C1 ZINC001167834760 1383753203 /nfs/dbraw/zinc/75/32/03/1383753203.db2.gz MTVGOAGMBUXVRQ-DLBZAZTESA-N 2 1 335.492 3.054 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](Oc2ncccc2OC)C1 ZINC001167834171 1383753470 /nfs/dbraw/zinc/75/34/70/1383753470.db2.gz IMWIVAXDHLCTAI-ROUUACIJSA-N 2 1 349.519 3.444 20 0 EGADMP CCOC(=O)c1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167972898 1383781985 /nfs/dbraw/zinc/78/19/85/1383781985.db2.gz DONJZUVCEJEMIP-ALOPSCKCSA-N 2 1 348.512 3.420 20 0 EGADMP CCOC(=O)c1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167972898 1383781988 /nfs/dbraw/zinc/78/19/88/1383781988.db2.gz DONJZUVCEJEMIP-ALOPSCKCSA-N 2 1 348.512 3.420 20 0 EGADMP C(CC1CCC2(CC1)OCCO2)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167971275 1383782819 /nfs/dbraw/zinc/78/28/19/1383782819.db2.gz VVEDCPNBQZOORV-IHWFROFDSA-N 2 1 348.531 3.305 20 0 EGADMP COc1ccc2c(c1)CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167983283 1383786472 /nfs/dbraw/zinc/78/64/72/1383786472.db2.gz FBNKBQSFRHQILE-YOFSQIOKSA-N 2 1 326.484 3.459 20 0 EGADMP COc1ccc2c(c1)CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167983283 1383786477 /nfs/dbraw/zinc/78/64/77/1383786477.db2.gz FBNKBQSFRHQILE-YOFSQIOKSA-N 2 1 326.484 3.459 20 0 EGADMP COc1ccc2c(c1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167983283 1383786480 /nfs/dbraw/zinc/78/64/80/1383786480.db2.gz FBNKBQSFRHQILE-YOFSQIOKSA-N 2 1 326.484 3.459 20 0 EGADMP COc1ccc2c(c1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167983283 1383786484 /nfs/dbraw/zinc/78/64/84/1383786484.db2.gz FBNKBQSFRHQILE-YOFSQIOKSA-N 2 1 326.484 3.459 20 0 EGADMP O=C(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccnc1 ZINC001167981848 1383786922 /nfs/dbraw/zinc/78/69/22/1383786922.db2.gz MZPLDOKARPMJTJ-YQQQUEKLSA-N 2 1 327.472 3.040 20 0 EGADMP C[N@H+](Cc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167984795 1383787746 /nfs/dbraw/zinc/78/77/46/1383787746.db2.gz RUBHLYPCHZYCKL-DFNIBXOVSA-N 2 1 342.483 3.295 20 0 EGADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167984795 1383787751 /nfs/dbraw/zinc/78/77/51/1383787751.db2.gz RUBHLYPCHZYCKL-DFNIBXOVSA-N 2 1 342.483 3.295 20 0 EGADMP C[NH+](Cc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167984795 1383787753 /nfs/dbraw/zinc/78/77/53/1383787753.db2.gz RUBHLYPCHZYCKL-DFNIBXOVSA-N 2 1 342.483 3.295 20 0 EGADMP C[NH+](Cc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167984795 1383787757 /nfs/dbraw/zinc/78/77/57/1383787757.db2.gz RUBHLYPCHZYCKL-DFNIBXOVSA-N 2 1 342.483 3.295 20 0 EGADMP CCOC(=O)[C@@]1(C)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168003536 1383793920 /nfs/dbraw/zinc/79/39/20/1383793920.db2.gz OUTURRZUIUTYAK-WMWLNJEOSA-N 2 1 334.504 3.057 20 0 EGADMP CCOC(=O)[C@@]1(C)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168003536 1383793924 /nfs/dbraw/zinc/79/39/24/1383793924.db2.gz OUTURRZUIUTYAK-WMWLNJEOSA-N 2 1 334.504 3.057 20 0 EGADMP CCOC(=O)[C@@]1(C)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168003536 1383793929 /nfs/dbraw/zinc/79/39/29/1383793929.db2.gz OUTURRZUIUTYAK-WMWLNJEOSA-N 2 1 334.504 3.057 20 0 EGADMP CNC(=O)[C@@H]([NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C ZINC001168027901 1383800493 /nfs/dbraw/zinc/80/04/93/1383800493.db2.gz NICQKENNHDWJMB-GPMSIDNRSA-N 2 1 345.531 3.178 20 0 EGADMP C[C@@H]1CC(N2CC[C@@]3(CC[N@@H+](C)C3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059891 1383806998 /nfs/dbraw/zinc/80/69/98/1383806998.db2.gz VSCZCWBTKOGFTG-WOIUINJBSA-N 2 1 341.543 3.456 20 0 EGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001168165887 1383831622 /nfs/dbraw/zinc/83/16/22/1383831622.db2.gz KEMKTESCSBNDRO-HNAYVOBHSA-N 2 1 336.907 3.362 20 0 EGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001168165887 1383831626 /nfs/dbraw/zinc/83/16/26/1383831626.db2.gz KEMKTESCSBNDRO-HNAYVOBHSA-N 2 1 336.907 3.362 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+](CC3CCCCC3)C1)C2 ZINC001168252926 1383854112 /nfs/dbraw/zinc/85/41/12/1383854112.db2.gz ULBLUUHURFBCNO-VQTJNVASSA-N 2 1 328.500 3.407 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCCCC3)C1)C2 ZINC001168252926 1383854113 /nfs/dbraw/zinc/85/41/13/1383854113.db2.gz ULBLUUHURFBCNO-VQTJNVASSA-N 2 1 328.500 3.407 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001168290859 1383865530 /nfs/dbraw/zinc/86/55/30/1383865530.db2.gz LJOKMXFCAGSZSY-HDICACEKSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168326554 1383873191 /nfs/dbraw/zinc/87/31/91/1383873191.db2.gz BAFWNCMVBGYOJA-NUWOQIAWSA-N 2 1 339.524 3.094 20 0 EGADMP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168324623 1383873272 /nfs/dbraw/zinc/87/32/72/1383873272.db2.gz RSPZMZKCDHLSPQ-KLAILNCOSA-N 2 1 339.524 3.191 20 0 EGADMP C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168326552 1383873621 /nfs/dbraw/zinc/87/36/21/1383873621.db2.gz BAFWNCMVBGYOJA-JUVOFCAFSA-N 2 1 339.524 3.094 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC001168369268 1383886665 /nfs/dbraw/zinc/88/66/65/1383886665.db2.gz MXGWJBGUCZGFGA-MJGOQNOKSA-N 2 1 348.535 3.284 20 0 EGADMP Cc1cccnc1O[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168394541 1383895088 /nfs/dbraw/zinc/89/50/88/1383895088.db2.gz BHPGJZSHSMIAFB-LJQANCHMSA-N 2 1 329.488 3.108 20 0 EGADMP Cc1cccnc1O[C@@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168394541 1383895093 /nfs/dbraw/zinc/89/50/93/1383895093.db2.gz BHPGJZSHSMIAFB-LJQANCHMSA-N 2 1 329.488 3.108 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(CC)cc1 ZINC001168606614 1383947350 /nfs/dbraw/zinc/94/73/50/1383947350.db2.gz JQOQPZUTQGQBOW-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP COc1ccc([C@H]2C[C@@H]([NH+]3CCC([N@@H+](C)C4CC4)CC3)CCO2)cc1 ZINC001168665369 1383964263 /nfs/dbraw/zinc/96/42/63/1383964263.db2.gz PNWHMLPUTPFJRE-PZJWPPBQSA-N 2 1 344.499 3.474 20 0 EGADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCO[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001168673502 1383966075 /nfs/dbraw/zinc/96/60/75/1383966075.db2.gz RPUACICXIIZLMV-UYAOXDASSA-N 2 1 332.488 3.331 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168736305 1383985788 /nfs/dbraw/zinc/98/57/88/1383985788.db2.gz XQPJHDFTILLLJT-GOSISDBHSA-N 2 1 349.950 3.157 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)C1CCCCCCC1)c1ccccc1 ZINC001307451185 1383993083 /nfs/dbraw/zinc/99/30/83/1383993083.db2.gz TZZZHCDVOFAKJC-FQEVSTJZSA-N 2 1 345.531 3.450 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)C2 ZINC001169091252 1384105389 /nfs/dbraw/zinc/10/53/89/1384105389.db2.gz PZGMOSSMTBLYHM-ZHCJQAHYSA-N 2 1 337.508 3.037 20 0 EGADMP COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C(F)(F)F ZINC001169099163 1384106673 /nfs/dbraw/zinc/10/66/73/1384106673.db2.gz OJMDTTFKKRAXFV-BTTYYORXSA-N 2 1 328.378 3.429 20 0 EGADMP COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C(F)(F)F ZINC001169099163 1384106680 /nfs/dbraw/zinc/10/66/80/1384106680.db2.gz OJMDTTFKKRAXFV-BTTYYORXSA-N 2 1 328.378 3.429 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)C2 ZINC001169100036 1384107568 /nfs/dbraw/zinc/10/75/68/1384107568.db2.gz ZTWNLKVQKCDRKM-CLLJXQQHSA-N 2 1 327.241 3.303 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)C2 ZINC001169100036 1384107570 /nfs/dbraw/zinc/10/75/70/1384107570.db2.gz ZTWNLKVQKCDRKM-CLLJXQQHSA-N 2 1 327.241 3.303 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](Cc3ccccc3F)CC1)C2 ZINC001169111279 1384108607 /nfs/dbraw/zinc/10/86/07/1384108607.db2.gz OKVJMGZOAHAWDF-ACDBMABISA-N 3 1 345.506 3.253 20 0 EGADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](Cc3ccccc3F)CC1)C2 ZINC001169111279 1384108610 /nfs/dbraw/zinc/10/86/10/1384108610.db2.gz OKVJMGZOAHAWDF-ACDBMABISA-N 2 1 345.506 3.253 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1nc(C3CC[NH2+]CC3)c3ccc(F)cc31)C2 ZINC001169146103 1384114461 /nfs/dbraw/zinc/11/44/61/1384114461.db2.gz OMYOVDZUUFBAIV-BJWYYQGGSA-N 2 1 342.462 3.440 20 0 EGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148101 1384114947 /nfs/dbraw/zinc/11/49/47/1384114947.db2.gz YSAMTNNOEGSPCT-UWHLTILDSA-N 2 1 327.516 3.066 20 0 EGADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169148101 1384114949 /nfs/dbraw/zinc/11/49/49/1384114949.db2.gz YSAMTNNOEGSPCT-UWHLTILDSA-N 2 1 327.516 3.066 20 0 EGADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169148101 1384114951 /nfs/dbraw/zinc/11/49/51/1384114951.db2.gz YSAMTNNOEGSPCT-UWHLTILDSA-N 2 1 327.516 3.066 20 0 EGADMP CC1(C)CCC[C@@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001308283092 1384116241 /nfs/dbraw/zinc/11/62/41/1384116241.db2.gz PXLGJKIYFUJKHH-CTNGQTDRSA-N 2 1 330.516 3.429 20 0 EGADMP CC1(C)CCC[C@@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001308283092 1384116243 /nfs/dbraw/zinc/11/62/43/1384116243.db2.gz PXLGJKIYFUJKHH-CTNGQTDRSA-N 2 1 330.516 3.429 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+]([C@H]3CCCc4ccccc43)CC1)C2 ZINC001169156425 1384116761 /nfs/dbraw/zinc/11/67/61/1384116761.db2.gz YDQFOQPZHHOARA-IIZPIQPGSA-N 2 1 339.527 3.307 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160490 1384117410 /nfs/dbraw/zinc/11/74/10/1384117410.db2.gz GQVFRIFIDIUVAJ-LPOYBJAFSA-N 2 1 327.516 3.206 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169160490 1384117411 /nfs/dbraw/zinc/11/74/11/1384117411.db2.gz GQVFRIFIDIUVAJ-LPOYBJAFSA-N 2 1 327.516 3.206 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169160490 1384117413 /nfs/dbraw/zinc/11/74/13/1384117413.db2.gz GQVFRIFIDIUVAJ-LPOYBJAFSA-N 2 1 327.516 3.206 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001169240066 1384126550 /nfs/dbraw/zinc/12/65/50/1384126550.db2.gz COVHTFHWPPFPSW-QGZVFWFLSA-N 2 1 337.305 3.380 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169271716 1384130647 /nfs/dbraw/zinc/13/06/47/1384130647.db2.gz GDCZIFMLXFQUPI-IPJUCJBFSA-N 2 1 330.472 3.086 20 0 EGADMP [NH3+]CCC[C@H]1CCCC[N@H+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169756314 1384183076 /nfs/dbraw/zinc/18/30/76/1384183076.db2.gz HZNQCXRYBFOCPG-UYAOXDASSA-N 2 1 343.515 3.132 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169809737 1384187599 /nfs/dbraw/zinc/18/75/99/1384187599.db2.gz JVOPMDPJJFQKML-PKOBYXMFSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)C1 ZINC001170138900 1384245470 /nfs/dbraw/zinc/24/54/70/1384245470.db2.gz SOBLJEYXLAXJKZ-WTNASJBWSA-N 2 1 342.531 3.247 20 0 EGADMP C[C@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)C1 ZINC001170138900 1384245474 /nfs/dbraw/zinc/24/54/74/1384245474.db2.gz SOBLJEYXLAXJKZ-WTNASJBWSA-N 2 1 342.531 3.247 20 0 EGADMP C[C@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)C1 ZINC001170138900 1384245476 /nfs/dbraw/zinc/24/54/76/1384245476.db2.gz SOBLJEYXLAXJKZ-WTNASJBWSA-N 2 1 342.531 3.247 20 0 EGADMP CC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)CCO1 ZINC001170214518 1384266986 /nfs/dbraw/zinc/26/69/86/1384266986.db2.gz PYHLLZSEDCMDQV-JSXRDJHFSA-N 2 1 328.500 3.316 20 0 EGADMP CC[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)CCO1 ZINC001170214518 1384266989 /nfs/dbraw/zinc/26/69/89/1384266989.db2.gz PYHLLZSEDCMDQV-JSXRDJHFSA-N 2 1 328.500 3.316 20 0 EGADMP CC[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)CCO1 ZINC001170214518 1384266990 /nfs/dbraw/zinc/26/69/90/1384266990.db2.gz PYHLLZSEDCMDQV-JSXRDJHFSA-N 2 1 328.500 3.316 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H](CC)Cc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC001170456046 1384324286 /nfs/dbraw/zinc/32/42/86/1384324286.db2.gz NHICOGJUWCYFFN-KSZLIROESA-N 2 1 330.472 3.010 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H](CC)Cc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC001170456046 1384324290 /nfs/dbraw/zinc/32/42/90/1384324290.db2.gz NHICOGJUWCYFFN-KSZLIROESA-N 2 1 330.472 3.010 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H](CC)Cc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC001170456046 1384324292 /nfs/dbraw/zinc/32/42/92/1384324292.db2.gz NHICOGJUWCYFFN-KSZLIROESA-N 2 1 330.472 3.010 20 0 EGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001170456097 1384324407 /nfs/dbraw/zinc/32/44/07/1384324407.db2.gz OMYPTPFARWLWPV-INIZCTEOSA-N 2 1 330.472 3.295 20 0 EGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001170456097 1384324411 /nfs/dbraw/zinc/32/44/11/1384324411.db2.gz OMYPTPFARWLWPV-INIZCTEOSA-N 2 1 330.472 3.295 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(F)c1 ZINC001170785066 1384384885 /nfs/dbraw/zinc/38/48/85/1384384885.db2.gz NFESHIMZBRSLLK-IBGZPJMESA-N 2 1 349.494 3.076 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+]([C@@H]4CCCOCC4)CC[C@H]3C2)cc1 ZINC001170846204 1384397492 /nfs/dbraw/zinc/39/74/92/1384397492.db2.gz YOWNRQYOJUUJJS-PWRODBHTSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+]([C@@H]4CCCOCC4)CC[C@H]3C2)cc1 ZINC001170846204 1384397493 /nfs/dbraw/zinc/39/74/93/1384397493.db2.gz YOWNRQYOJUUJJS-PWRODBHTSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+]([C@@H]4CCCOCC4)CC[C@H]3C2)cc1 ZINC001170846204 1384397498 /nfs/dbraw/zinc/39/74/98/1384397498.db2.gz YOWNRQYOJUUJJS-PWRODBHTSA-N 2 1 328.500 3.400 20 0 EGADMP CC1CC[NH+](CC(=O)N(C)C[C@H]2CC[N@H+]2CC2CCCCCC2)CC1 ZINC001316602913 1384470979 /nfs/dbraw/zinc/47/09/79/1384470979.db2.gz AJSLHXFDZCEYLO-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171245717 1384477640 /nfs/dbraw/zinc/47/76/40/1384477640.db2.gz BFLJGWOOHKGLJE-JTDRTSHGSA-N 2 1 346.519 3.381 20 0 EGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171245968 1384477649 /nfs/dbraw/zinc/47/76/49/1384477649.db2.gz CMCOSARPYFGWSK-PKOBYXMFSA-N 2 1 337.552 3.458 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171248654 1384477936 /nfs/dbraw/zinc/47/79/36/1384477936.db2.gz WXHWEYUVQSVNNC-WMZOPIPTSA-N 2 1 346.519 3.215 20 0 EGADMP C[C@@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171261195 1384481414 /nfs/dbraw/zinc/48/14/14/1384481414.db2.gz RLITYMWDEJBBCS-ROUUACIJSA-N 2 1 345.531 3.497 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C(C)(C)C[NH3+])C[C@H]1C(C)(C)C ZINC001171585903 1384572697 /nfs/dbraw/zinc/57/26/97/1384572697.db2.gz NUHYQHSJVGWVNZ-KGLIPLIRSA-N 2 1 327.513 3.128 20 0 EGADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001171618136 1384581843 /nfs/dbraw/zinc/58/18/43/1384581843.db2.gz FQBFYJINLCVXBD-MRXNPFEDSA-N 2 1 325.541 3.314 20 0 EGADMP C[NH+]1C(C)(C)CC([NH2+][C@H]2CCc3ccccc3NC2=O)CC1(C)C ZINC001171624000 1384582851 /nfs/dbraw/zinc/58/28/51/1384582851.db2.gz KSIPBLTVOFYXNL-KRWDZBQOSA-N 2 1 329.488 3.181 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl ZINC001171645924 1384591315 /nfs/dbraw/zinc/59/13/15/1384591315.db2.gz DDCDZJYRDBZEDO-JSMQFAGNSA-N 2 1 343.943 3.124 20 0 EGADMP COc1ccc(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1C[NH3+] ZINC001171740310 1384621515 /nfs/dbraw/zinc/62/15/15/1384621515.db2.gz JAKMRDKTKKHSCZ-BEFAXECRSA-N 2 1 325.456 3.229 20 0 EGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171825567 1384652279 /nfs/dbraw/zinc/65/22/79/1384652279.db2.gz FXNBMPRHOLMTEQ-KRWDZBQOSA-N 2 1 348.535 3.217 20 0 EGADMP CC(=O)N1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171961651 1384696636 /nfs/dbraw/zinc/69/66/36/1384696636.db2.gz ACWZFWWQUCZCQP-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP COCC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCOCC1 ZINC001171977468 1384701641 /nfs/dbraw/zinc/70/16/41/1384701641.db2.gz BNDNBVHKUPZSRX-IBGZPJMESA-N 2 1 346.515 3.215 20 0 EGADMP CC1(C)C[C@@H](n2cc3c(n2)CC[C@H]([NH3+])C3)CC[N@H+]1Cc1ccccc1 ZINC001171977557 1384701929 /nfs/dbraw/zinc/70/19/29/1384701929.db2.gz CKCCEFOHSKJCHD-OALUTQOASA-N 2 1 338.499 3.315 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171983461 1384703721 /nfs/dbraw/zinc/70/37/21/1384703721.db2.gz XJGIEXLVCGEVOK-NSHGMRRFSA-N 2 1 329.532 3.454 20 0 EGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171983461 1384703724 /nfs/dbraw/zinc/70/37/24/1384703724.db2.gz XJGIEXLVCGEVOK-NSHGMRRFSA-N 2 1 329.532 3.454 20 0 EGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171983461 1384703733 /nfs/dbraw/zinc/70/37/33/1384703733.db2.gz XJGIEXLVCGEVOK-NSHGMRRFSA-N 2 1 329.532 3.454 20 0 EGADMP C[N@H+]1CC[C@@]2(CCN([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987315 1384706214 /nfs/dbraw/zinc/70/62/14/1384706214.db2.gz UFQLTCSOTJXBND-IFMALSPDSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+]1CC[C@@]2(CCN([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987315 1384706223 /nfs/dbraw/zinc/70/62/23/1384706223.db2.gz UFQLTCSOTJXBND-IFMALSPDSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+]1CC[C@@]2(CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987315 1384706231 /nfs/dbraw/zinc/70/62/31/1384706231.db2.gz UFQLTCSOTJXBND-IFMALSPDSA-N 2 1 341.543 3.457 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C(C)(C)C[NH3+])CC12CCCCC2 ZINC001172056017 1384713726 /nfs/dbraw/zinc/71/37/26/1384713726.db2.gz BDUSIFSITFLYMQ-HNNXBMFYSA-N 2 1 339.524 3.416 20 0 EGADMP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@H]1O ZINC001172067126 1384715879 /nfs/dbraw/zinc/71/58/79/1384715879.db2.gz AWZYAOOKVJXIMC-BVJIBDCISA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@H]1O ZINC001172067126 1384715883 /nfs/dbraw/zinc/71/58/83/1384715883.db2.gz AWZYAOOKVJXIMC-BVJIBDCISA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1O ZINC001172067126 1384715893 /nfs/dbraw/zinc/71/58/93/1384715893.db2.gz AWZYAOOKVJXIMC-BVJIBDCISA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1O ZINC001172067126 1384715901 /nfs/dbraw/zinc/71/59/01/1384715901.db2.gz AWZYAOOKVJXIMC-BVJIBDCISA-N 2 1 328.500 3.275 20 0 EGADMP C[C@H]1C[C@@H](CO)[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067558 1384715936 /nfs/dbraw/zinc/71/59/36/1384715936.db2.gz CYCPUQTVZZORJC-URZNZNTCSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@H]1C[C@@H](CO)[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067558 1384715947 /nfs/dbraw/zinc/71/59/47/1384715947.db2.gz CYCPUQTVZZORJC-URZNZNTCSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@H]1C[C@@H](CO)[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172067558 1384715949 /nfs/dbraw/zinc/71/59/49/1384715949.db2.gz CYCPUQTVZZORJC-URZNZNTCSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@H]1C[C@@H](CO)[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067558 1384715950 /nfs/dbraw/zinc/71/59/50/1384715950.db2.gz CYCPUQTVZZORJC-URZNZNTCSA-N 2 1 328.500 3.275 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]CCc2cnccn2)C3)cc1 ZINC001172073629 1384720783 /nfs/dbraw/zinc/72/07/83/1384720783.db2.gz SBAGOPMAFMVYJV-WKCHPHFGSA-N 2 1 336.483 3.194 20 0 EGADMP C[C@]1(O)CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172074295 1384720831 /nfs/dbraw/zinc/72/08/31/1384720831.db2.gz GYPXHAAHAKZLNS-BQJUDKOJSA-N 2 1 328.500 3.419 20 0 EGADMP C[C@]1(O)CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172074295 1384720835 /nfs/dbraw/zinc/72/08/35/1384720835.db2.gz GYPXHAAHAKZLNS-BQJUDKOJSA-N 2 1 328.500 3.419 20 0 EGADMP C[C@]1(O)CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172074295 1384720839 /nfs/dbraw/zinc/72/08/39/1384720839.db2.gz GYPXHAAHAKZLNS-BQJUDKOJSA-N 2 1 328.500 3.419 20 0 EGADMP C[C@]1(O)CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172074295 1384720842 /nfs/dbraw/zinc/72/08/42/1384720842.db2.gz GYPXHAAHAKZLNS-BQJUDKOJSA-N 2 1 328.500 3.419 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172080099 1384721252 /nfs/dbraw/zinc/72/12/52/1384721252.db2.gz MGZVGPXGFBZWPO-BJWYYQGGSA-N 2 1 348.491 3.102 20 0 EGADMP COC(C[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)OC ZINC001172082824 1384722152 /nfs/dbraw/zinc/72/21/52/1384722152.db2.gz MHAQHTSRWWYHJD-REPLKXPHSA-N 2 1 332.488 3.123 20 0 EGADMP COC(C[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)OC ZINC001172082824 1384722153 /nfs/dbraw/zinc/72/21/53/1384722153.db2.gz MHAQHTSRWWYHJD-REPLKXPHSA-N 2 1 332.488 3.123 20 0 EGADMP COC(C[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC001172082824 1384722156 /nfs/dbraw/zinc/72/21/56/1384722156.db2.gz MHAQHTSRWWYHJD-REPLKXPHSA-N 2 1 332.488 3.123 20 0 EGADMP COC(C[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC001172082824 1384722158 /nfs/dbraw/zinc/72/21/58/1384722158.db2.gz MHAQHTSRWWYHJD-REPLKXPHSA-N 2 1 332.488 3.123 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](Cc1ccccc1)C[NH+]1CCCC1)C2 ZINC001172104213 1384726950 /nfs/dbraw/zinc/72/69/50/1384726950.db2.gz AQDIWVWGJNYCPQ-KJJMTIBFSA-N 2 1 341.543 3.298 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(C(=O)C3CCCCC3)CC1)C2 ZINC001172113276 1384730397 /nfs/dbraw/zinc/73/03/97/1384730397.db2.gz GBLIURXCMOJKBS-ACDBMABISA-N 2 1 347.547 3.163 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(C(=O)C3CCCCC3)CC1)C2 ZINC001172113276 1384730399 /nfs/dbraw/zinc/73/03/99/1384730399.db2.gz GBLIURXCMOJKBS-ACDBMABISA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)Nc1ccc(F)cc1 ZINC001172113471 1384730404 /nfs/dbraw/zinc/73/04/04/1384730404.db2.gz HKWQLWYIPWAJOT-RDGPPVDQSA-N 2 1 347.478 3.394 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001316983053 1384740452 /nfs/dbraw/zinc/74/04/52/1384740452.db2.gz NOBCZCWLFNAYHL-RHSMWYFYSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001316983053 1384740454 /nfs/dbraw/zinc/74/04/54/1384740454.db2.gz NOBCZCWLFNAYHL-RHSMWYFYSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001316983053 1384740455 /nfs/dbraw/zinc/74/04/55/1384740455.db2.gz NOBCZCWLFNAYHL-RHSMWYFYSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001316983053 1384740457 /nfs/dbraw/zinc/74/04/57/1384740457.db2.gz NOBCZCWLFNAYHL-RHSMWYFYSA-N 2 1 349.906 3.076 20 0 EGADMP COCCC[NH+]1CCC([NH+]2CCC(OCc3ccccc3)CC2)CC1 ZINC001172255505 1384756967 /nfs/dbraw/zinc/75/69/67/1384756967.db2.gz TWCRIIUDYFRUBF-UHFFFAOYSA-N 2 1 346.515 3.169 20 0 EGADMP COCCC[NH+]1CCC([N@H+](C)Cc2cccc3cccnc32)CC1 ZINC001172254239 1384757208 /nfs/dbraw/zinc/75/72/08/1384757208.db2.gz BSIOGHCATBNISO-UHFFFAOYSA-N 2 1 327.472 3.168 20 0 EGADMP COCCC[NH+]1CCC([N@@H+](C)Cc2cccc3cccnc32)CC1 ZINC001172254239 1384757212 /nfs/dbraw/zinc/75/72/12/1384757212.db2.gz BSIOGHCATBNISO-UHFFFAOYSA-N 2 1 327.472 3.168 20 0 EGADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001172356727 1384776210 /nfs/dbraw/zinc/77/62/10/1384776210.db2.gz ZWJKFRCORYKGJL-IAGOWNOFSA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001172356727 1384776214 /nfs/dbraw/zinc/77/62/14/1384776214.db2.gz ZWJKFRCORYKGJL-IAGOWNOFSA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@@H](CC(C)C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001172401489 1384784962 /nfs/dbraw/zinc/78/49/62/1384784962.db2.gz ZNIIYEYQRKZXIY-FYQPLNBISA-N 2 1 347.551 3.276 20 0 EGADMP CC[C@@H](CC(C)C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001172401489 1384784964 /nfs/dbraw/zinc/78/49/64/1384784964.db2.gz ZNIIYEYQRKZXIY-FYQPLNBISA-N 2 1 347.551 3.276 20 0 EGADMP CC[C@@H](CC(C)C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001172401489 1384784968 /nfs/dbraw/zinc/78/49/68/1384784968.db2.gz ZNIIYEYQRKZXIY-FYQPLNBISA-N 2 1 347.551 3.276 20 0 EGADMP CC[C@@H](CC(C)C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001172401489 1384784971 /nfs/dbraw/zinc/78/49/71/1384784971.db2.gz ZNIIYEYQRKZXIY-FYQPLNBISA-N 2 1 347.551 3.276 20 0 EGADMP COc1cccc(C2([NH3+])CC[NH+]([C@@H](C)CCOCC(C)C)CC2)c1 ZINC001172469065 1384799783 /nfs/dbraw/zinc/79/97/83/1384799783.db2.gz QUGGSVXISKILSR-KRWDZBQOSA-N 2 1 334.504 3.396 20 0 EGADMP CC(C)COCC[C@@H](C)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001172475464 1384801493 /nfs/dbraw/zinc/80/14/93/1384801493.db2.gz JHLMYOUFUYUDAQ-QGZVFWFLSA-N 2 1 326.525 3.013 20 0 EGADMP CC1(C)CC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC(C)(C)O1 ZINC001172643969 1384825643 /nfs/dbraw/zinc/82/56/43/1384825643.db2.gz HQTHJYNRWYUOHE-UHFFFAOYSA-N 2 1 346.515 3.345 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172659487 1384828499 /nfs/dbraw/zinc/82/84/99/1384828499.db2.gz YNHOTUMRXUXCRK-QGZVFWFLSA-N 2 1 338.536 3.298 20 0 EGADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172667287 1384830358 /nfs/dbraw/zinc/83/03/58/1384830358.db2.gz DSDSSFHYVKRINQ-PMACEKPBSA-N 2 1 343.515 3.019 20 0 EGADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172667291 1384830603 /nfs/dbraw/zinc/83/06/03/1384830603.db2.gz DSDSSFHYVKRINQ-VQTJNVASSA-N 2 1 343.515 3.019 20 0 EGADMP C[NH+]1CCC(C[NH+]2CCN(C3CCC4(CCCC4)CC3)CC2)CC1 ZINC001172730295 1384839800 /nfs/dbraw/zinc/83/98/00/1384839800.db2.gz COMDRHXSTXJOCE-UHFFFAOYSA-N 2 1 333.564 3.449 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])CC1 ZINC001172797129 1384854530 /nfs/dbraw/zinc/85/45/30/1384854530.db2.gz GMOMELLYFLTCIR-QRQLOZEOSA-N 2 1 332.488 3.205 20 0 EGADMP CO[C@@H]1CCC[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001172953182 1384889095 /nfs/dbraw/zinc/88/90/95/1384889095.db2.gz ZGJNJHORCAKOGQ-XSDIEEQYSA-N 2 1 328.500 3.398 20 0 EGADMP CO[C@@H]1CCC[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001172953182 1384889103 /nfs/dbraw/zinc/88/91/03/1384889103.db2.gz ZGJNJHORCAKOGQ-XSDIEEQYSA-N 2 1 328.500 3.398 20 0 EGADMP CO[C@@H]1CCC[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001172953182 1384889110 /nfs/dbraw/zinc/88/91/10/1384889110.db2.gz ZGJNJHORCAKOGQ-XSDIEEQYSA-N 2 1 328.500 3.398 20 0 EGADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172962081 1384891178 /nfs/dbraw/zinc/89/11/78/1384891178.db2.gz ZOJRUNVNGQZUPM-LUKYLMHMSA-N 2 1 339.524 3.237 20 0 EGADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172962081 1384891181 /nfs/dbraw/zinc/89/11/81/1384891181.db2.gz ZOJRUNVNGQZUPM-LUKYLMHMSA-N 2 1 339.524 3.237 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@H]2C(=O)N2CCCC2)CC1 ZINC001173111658 1384916860 /nfs/dbraw/zinc/91/68/60/1384916860.db2.gz JLKFVRQNVLBLQK-ACBHZAAOSA-N 2 1 335.536 3.116 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](Oc3ncccc3C)C2)CC1 ZINC001173113683 1384917933 /nfs/dbraw/zinc/91/79/33/1384917933.db2.gz KJBNNUJUXBCXQJ-ACBHZAAOSA-N 2 1 331.504 3.496 20 0 EGADMP COc1cccc2c1C[C@H]([N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C)CO2 ZINC001173163381 1384928773 /nfs/dbraw/zinc/92/87/73/1384928773.db2.gz DHTLMGQLINWHCB-KSZLIROESA-N 2 1 344.499 3.338 20 0 EGADMP COc1cccc2c1C[C@H]([NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C)CO2 ZINC001173163381 1384928777 /nfs/dbraw/zinc/92/87/77/1384928777.db2.gz DHTLMGQLINWHCB-KSZLIROESA-N 2 1 344.499 3.338 20 0 EGADMP COc1cccc2c1C[C@H]([NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C)CO2 ZINC001173163381 1384928780 /nfs/dbraw/zinc/92/87/80/1384928780.db2.gz DHTLMGQLINWHCB-KSZLIROESA-N 2 1 344.499 3.338 20 0 EGADMP CCCC[C@@H](CC(C)C)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001173257385 1384945933 /nfs/dbraw/zinc/94/59/33/1384945933.db2.gz ZNOVCUDMCJJQLK-SFHVURJKSA-N 2 1 348.535 3.116 20 0 EGADMP CCCC[C@H](CC(C)C)[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001173259659 1384946186 /nfs/dbraw/zinc/94/61/86/1384946186.db2.gz JDNNSHUCSOLTMN-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[C@H](CC(C)C)[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001173259659 1384946190 /nfs/dbraw/zinc/94/61/90/1384946190.db2.gz JDNNSHUCSOLTMN-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CCSC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001173286930 1384952357 /nfs/dbraw/zinc/95/23/57/1384952357.db2.gz DSIRBJVWEMVYLS-QGZVFWFLSA-N 2 1 335.561 3.055 20 0 EGADMP CC[N@@H+]1CC[C@H](N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC001173365326 1384964147 /nfs/dbraw/zinc/96/41/47/1384964147.db2.gz FUTRNKCIVIRFQD-FQEVSTJZSA-N 2 1 329.532 3.196 20 0 EGADMP CC[N@H+]1CC[C@H](N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC001173365326 1384964155 /nfs/dbraw/zinc/96/41/55/1384964155.db2.gz FUTRNKCIVIRFQD-FQEVSTJZSA-N 2 1 329.532 3.196 20 0 EGADMP CCC(CC)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001317196264 1384970055 /nfs/dbraw/zinc/97/00/55/1384970055.db2.gz ROLTXAHTELTRCX-WDSOQIARSA-N 2 1 337.552 3.124 20 0 EGADMP COC(=O)CCCC[C@H](C)N(c1[nH+]cccc1C)C1CC[NH2+]CC1 ZINC001173460350 1384975409 /nfs/dbraw/zinc/97/54/09/1384975409.db2.gz WCKNRCAZTGUEGO-INIZCTEOSA-N 2 1 333.476 3.070 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001317201270 1384977471 /nfs/dbraw/zinc/97/74/71/1384977471.db2.gz AQZHRBNMKRADIH-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001317201270 1384977474 /nfs/dbraw/zinc/97/74/74/1384977474.db2.gz AQZHRBNMKRADIH-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC001317201270 1384977476 /nfs/dbraw/zinc/97/74/76/1384977476.db2.gz AQZHRBNMKRADIH-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP CCOC(=O)[C@H]1CC12CCC([N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001173608490 1384987119 /nfs/dbraw/zinc/98/71/19/1384987119.db2.gz UDDXCJNPVXQPOG-XVUAGMNHSA-N 2 1 348.531 3.480 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C2CCN(c3[nH+]cccc3C)CC2)C1 ZINC001173645155 1384994534 /nfs/dbraw/zinc/99/45/34/1384994534.db2.gz VKTUOEHMFYIQHL-AEFFLSMTSA-N 2 1 345.487 3.070 20 0 EGADMP CC(C)[N@@H+](CCC[NH3+])C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173673978 1385001446 /nfs/dbraw/zinc/00/14/46/1385001446.db2.gz WRMJZYBJVFACAW-HUUCEWRRSA-N 2 1 327.513 3.222 20 0 EGADMP COC(=O)c1ccc(C[C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC001173714937 1385008016 /nfs/dbraw/zinc/00/80/16/1385008016.db2.gz LJFMFSHTRUSOMZ-IAGOWNOFSA-N 2 1 332.488 3.258 20 0 EGADMP CC[NH+](CC)C1CC[NH+]([C@H](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC001173727064 1385009999 /nfs/dbraw/zinc/00/99/99/1385009999.db2.gz HTFLDXKRAMGXTJ-MRXNPFEDSA-N 2 1 332.488 3.210 20 0 EGADMP C[C@@H](CCCC[NH2+]CCF)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001174880383 1385164068 /nfs/dbraw/zinc/16/40/68/1385164068.db2.gz DJOFCTKAPNCCCS-FUHWJXTLSA-N 2 1 341.515 3.018 20 0 EGADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001174880778 1385164219 /nfs/dbraw/zinc/16/42/19/1385164219.db2.gz HJPRHYCAKZGETF-MJGOQNOKSA-N 2 1 337.552 3.458 20 0 EGADMP Cc1cccc(C[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1 ZINC001317471692 1385166471 /nfs/dbraw/zinc/16/64/71/1385166471.db2.gz NWBNZIXEEDMXOZ-HXUWFJFHSA-N 2 1 345.531 3.054 20 0 EGADMP CC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)[C@H](C)c1cccc(C)c1 ZINC001317481176 1385176933 /nfs/dbraw/zinc/17/69/33/1385176933.db2.gz HGIVYRZOGVFHOK-GOSISDBHSA-N 2 1 343.515 3.123 20 0 EGADMP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175255029 1385229773 /nfs/dbraw/zinc/22/97/73/1385229773.db2.gz BVVXYNWRABVVRP-MOPGFXCFSA-N 2 1 345.531 3.244 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175264284 1385234666 /nfs/dbraw/zinc/23/46/66/1385234666.db2.gz RXDZRQNGJLXYHZ-QZTJIDSGSA-N 2 1 325.541 3.029 20 0 EGADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+](C(C)(C)C)C2)c1C ZINC001335985272 1388983547 /nfs/dbraw/zinc/98/35/47/1388983547.db2.gz BXMUFMVWDNRBIV-RTBURBONSA-N 2 1 348.531 3.062 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001176023854 1385463989 /nfs/dbraw/zinc/46/39/89/1385463989.db2.gz KDTCHKFEYNDMGB-LJQANCHMSA-N 2 1 347.547 3.410 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1c(C)cccc1C ZINC001176023858 1385464233 /nfs/dbraw/zinc/46/42/33/1385464233.db2.gz KFRVMCPQVKXYJW-LJQANCHMSA-N 2 1 347.547 3.410 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176165401 1385500873 /nfs/dbraw/zinc/50/08/73/1385500873.db2.gz KPELKDJVZWAFJY-FUHWJXTLSA-N 2 1 325.541 3.029 20 0 EGADMP CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317845312 1385531607 /nfs/dbraw/zinc/53/16/07/1385531607.db2.gz OPQLLDCIQVJDNK-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317845312 1385531612 /nfs/dbraw/zinc/53/16/12/1385531612.db2.gz OPQLLDCIQVJDNK-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317845312 1385531621 /nfs/dbraw/zinc/53/16/21/1385531621.db2.gz OPQLLDCIQVJDNK-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001318281366 1385640067 /nfs/dbraw/zinc/64/00/67/1385640067.db2.gz GIWYVBWRNFHKIS-MSOLQXFVSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001318281366 1385640072 /nfs/dbraw/zinc/64/00/72/1385640072.db2.gz GIWYVBWRNFHKIS-MSOLQXFVSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001318281366 1385640075 /nfs/dbraw/zinc/64/00/75/1385640075.db2.gz GIWYVBWRNFHKIS-MSOLQXFVSA-N 2 1 345.531 3.224 20 0 EGADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001318410588 1385678618 /nfs/dbraw/zinc/67/86/18/1385678618.db2.gz UIFNXFMVKKTIAW-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCC1CCCC1 ZINC001176759290 1385686025 /nfs/dbraw/zinc/68/60/25/1385686025.db2.gz IERUERJNLIRRBN-KRWDZBQOSA-N 2 1 325.541 3.172 20 0 EGADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001318435966 1385688179 /nfs/dbraw/zinc/68/81/79/1385688179.db2.gz DOZVSWPCNSINGQ-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176819792 1385713824 /nfs/dbraw/zinc/71/38/24/1385713824.db2.gz DEYGBDBYECAWFR-GOSISDBHSA-N 2 1 345.531 3.183 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176819792 1385713828 /nfs/dbraw/zinc/71/38/28/1385713828.db2.gz DEYGBDBYECAWFR-GOSISDBHSA-N 2 1 345.531 3.183 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001318484855 1385717887 /nfs/dbraw/zinc/71/78/87/1385717887.db2.gz ZTMUMVONXLJHLW-GOSISDBHSA-N 2 1 339.568 3.323 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001318484855 1385717891 /nfs/dbraw/zinc/71/78/91/1385717891.db2.gz ZTMUMVONXLJHLW-GOSISDBHSA-N 2 1 339.568 3.323 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001318484855 1385717893 /nfs/dbraw/zinc/71/78/93/1385717893.db2.gz ZTMUMVONXLJHLW-GOSISDBHSA-N 2 1 339.568 3.323 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001176857192 1385725729 /nfs/dbraw/zinc/72/57/29/1385725729.db2.gz RWYHAPQFRNPATD-CALCHBBNSA-N 2 1 343.515 3.033 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001176992255 1385766372 /nfs/dbraw/zinc/76/63/72/1385766372.db2.gz KSVDBRLKUGYCIP-HXUWFJFHSA-N 2 1 343.515 3.034 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CCC[NH+]2C)CCCCC1 ZINC001177180237 1385848379 /nfs/dbraw/zinc/84/83/79/1385848379.db2.gz OWDXVHGBLVCCJK-IBGZPJMESA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C3CCC(C)(C)CC3)cc2)CC1 ZINC001177267160 1385890267 /nfs/dbraw/zinc/89/02/67/1385890267.db2.gz JCODOGRNLYOCPR-UHFFFAOYSA-N 2 1 343.515 3.133 20 0 EGADMP CCc1ccccc1C[NH2+][C@H]1CC[C@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001318977126 1385906671 /nfs/dbraw/zinc/90/66/71/1385906671.db2.gz ZRRZQYGSGDGZKN-MXVIHJGJSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001177317319 1385912428 /nfs/dbraw/zinc/91/24/28/1385912428.db2.gz UNGQFFBBLDXZRZ-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC001178267601 1386176934 /nfs/dbraw/zinc/17/69/34/1386176934.db2.gz MPGHVKMEEJHKLU-GOSISDBHSA-N 2 1 326.488 3.015 20 0 EGADMP C[N@@H+](CC(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1)C1CCC1 ZINC001178705432 1386285262 /nfs/dbraw/zinc/28/52/62/1386285262.db2.gz QQIIGJBNYBCTGH-UHFFFAOYSA-N 2 1 349.563 3.317 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]1C ZINC001178735874 1386292251 /nfs/dbraw/zinc/29/22/51/1386292251.db2.gz HSJKOZOIIJTSEF-ULQDDVLXSA-N 2 1 348.535 3.412 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H]([NH2+]CCCC(C)C)[C@@H]1C ZINC001178735942 1386292662 /nfs/dbraw/zinc/29/26/62/1386292662.db2.gz LJYNVBWSXUEOPA-BZSNNMDCSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178833067 1386322229 /nfs/dbraw/zinc/32/22/29/1386322229.db2.gz OUVHYWYIHQHQMA-MOPGFXCFSA-N 2 1 339.568 3.419 20 0 EGADMP CCC[NH2+]CCCCCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001178902746 1386343297 /nfs/dbraw/zinc/34/32/97/1386343297.db2.gz FOSWVVYIEYCQEV-UHFFFAOYSA-N 2 1 325.541 3.316 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]C[C@H](C)CC)C1 ZINC001179357851 1386462486 /nfs/dbraw/zinc/46/24/86/1386462486.db2.gz NJNCHZHANVZLMZ-RTBURBONSA-N 2 1 339.568 3.421 20 0 EGADMP Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001179549746 1386512294 /nfs/dbraw/zinc/51/22/94/1386512294.db2.gz ITGQGSHAJUDMDL-HKUYNNGSSA-N 2 1 345.531 3.052 20 0 EGADMP Cc1c(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc2c[nH+]cn21 ZINC001320101257 1386512652 /nfs/dbraw/zinc/51/26/52/1386512652.db2.gz BTSOLMZDZDJEST-GOEBONIOSA-N 2 1 340.471 3.026 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001179580811 1386522405 /nfs/dbraw/zinc/52/24/05/1386522405.db2.gz QWUUPSJCDSCBSX-SFHVURJKSA-N 2 1 337.552 3.317 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001179592438 1386526334 /nfs/dbraw/zinc/52/63/34/1386526334.db2.gz BRRHICSAEXFQOU-KRWDZBQOSA-N 2 1 327.557 3.277 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCCCCCNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001180260138 1386749593 /nfs/dbraw/zinc/74/95/93/1386749593.db2.gz UQHISNDIWSVRPN-IBGZPJMESA-N 2 1 345.531 3.021 20 0 EGADMP Cc1ccc(C[NH2+]CCCCCCNC(=O)C[N@H+](C)C(C)C)c(C)c1 ZINC001180369514 1386776104 /nfs/dbraw/zinc/77/61/04/1386776104.db2.gz JRFAZVZPICEOFL-UHFFFAOYSA-N 2 1 347.547 3.410 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001180369648 1386777034 /nfs/dbraw/zinc/77/70/34/1386777034.db2.gz QJTHARFDKMTZGL-CEXWTWQISA-N 2 1 337.552 3.029 20 0 EGADMP CC[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC001321188269 1386835344 /nfs/dbraw/zinc/83/53/44/1386835344.db2.gz GXQORXOBGBYYBK-JTDRTSHGSA-N 2 1 349.906 3.147 20 0 EGADMP C[N@@H+](CC(=O)Nc1ccc(C2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC001180629277 1386852398 /nfs/dbraw/zinc/85/23/98/1386852398.db2.gz RMWRIXFUZLETEX-UHFFFAOYSA-N 2 1 329.488 3.309 20 0 EGADMP CC(C)N(C(=O)C12CC(C1)CC[N@H+]2Cc1ccccc1)C(C)(C)C[NH3+] ZINC001181495513 1387005216 /nfs/dbraw/zinc/00/52/16/1387005216.db2.gz SVFYQWVSJDZHSA-UHFFFAOYSA-N 2 1 343.515 3.015 20 0 EGADMP CCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001181671012 1387035944 /nfs/dbraw/zinc/03/59/44/1387035944.db2.gz HLEPVCQOYWHBAL-QWFCFKBJSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001181728250 1387046844 /nfs/dbraw/zinc/04/68/44/1387046844.db2.gz IWGONQKGPZBTQO-YFVAEKQCSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001181728249 1387046878 /nfs/dbraw/zinc/04/68/78/1387046878.db2.gz IWGONQKGPZBTQO-SLYNCCJLSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCC(CC2CCN(C(=O)[C@@H]3CC[N@H+](C(C)C)C3)CC2)CC1 ZINC001181975464 1387086025 /nfs/dbraw/zinc/08/60/25/1387086025.db2.gz DRRQVAVJWVKZJU-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C(=O)NCC[C@@H]1CCC[NH+]1C)c1ccccc1 ZINC001182236545 1387128883 /nfs/dbraw/zinc/12/88/83/1387128883.db2.gz ROUGSCRPOVFORG-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+](CC)[C@@H](C(=O)NCC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001182236545 1387128887 /nfs/dbraw/zinc/12/88/87/1387128887.db2.gz ROUGSCRPOVFORG-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+](CC)[C@@H](C(=O)NCC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001182236545 1387128891 /nfs/dbraw/zinc/12/88/91/1387128891.db2.gz ROUGSCRPOVFORG-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP CCCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001182623733 1387198078 /nfs/dbraw/zinc/19/80/78/1387198078.db2.gz UKPWGLBTAGCZGD-YLJYHZDGSA-N 2 1 339.568 3.229 20 0 EGADMP [NH3+][C@@H](c1noc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1)c1ccccc1 ZINC001329412140 1389101307 /nfs/dbraw/zinc/10/13/07/1389101307.db2.gz UKDXXKMBJVORRP-RTBURBONSA-N 2 1 348.450 3.497 20 0 EGADMP [NH3+][C@@H](c1noc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1)c1ccccc1 ZINC001329412140 1389101309 /nfs/dbraw/zinc/10/13/09/1389101309.db2.gz UKDXXKMBJVORRP-RTBURBONSA-N 2 1 348.450 3.497 20 0 EGADMP [NH3+][C@H](c1noc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1)c1ccccc1 ZINC001329412134 1389101604 /nfs/dbraw/zinc/10/16/04/1389101604.db2.gz UKDXXKMBJVORRP-MOPGFXCFSA-N 2 1 348.450 3.497 20 0 EGADMP [NH3+][C@H](c1noc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1)c1ccccc1 ZINC001329412134 1389101606 /nfs/dbraw/zinc/10/16/06/1389101606.db2.gz UKDXXKMBJVORRP-MOPGFXCFSA-N 2 1 348.450 3.497 20 0 EGADMP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001329491949 1389130792 /nfs/dbraw/zinc/13/07/92/1389130792.db2.gz YPKFRMLRMOWTEV-HNNXBMFYSA-N 2 1 347.528 3.201 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001330056421 1389295716 /nfs/dbraw/zinc/29/57/16/1389295716.db2.gz YRWIGVRBFPKGSE-IRXDYDNUSA-N 2 1 348.535 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC1CC[NH+](CC2CCC2)CC1 ZINC001698725661 1406375284 /nfs/dbraw/zinc/37/52/84/1406375284.db2.gz NFHMURSXMPLNDC-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001331069025 1389618768 /nfs/dbraw/zinc/61/87/68/1389618768.db2.gz QFGCOPHZQUBQGY-LJQANCHMSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001331069025 1389618773 /nfs/dbraw/zinc/61/87/73/1389618773.db2.gz QFGCOPHZQUBQGY-LJQANCHMSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001331069025 1389618776 /nfs/dbraw/zinc/61/87/76/1389618776.db2.gz QFGCOPHZQUBQGY-LJQANCHMSA-N 2 1 331.504 3.012 20 0 EGADMP Cc1ccc(CN2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001331979508 1389933305 /nfs/dbraw/zinc/93/33/05/1389933305.db2.gz CLBCAGDARNDZDY-SEJPIABJSA-N 2 1 327.516 3.033 20 0 EGADMP C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1CCC1CCCC1 ZINC001332184741 1390027451 /nfs/dbraw/zinc/02/74/51/1390027451.db2.gz KQNMOPUTMNINNK-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1[C@H](NC(=O)CCC[NH+]2CCCCC2)CCC[N@H+]1CCC1CC1 ZINC001332221086 1390053424 /nfs/dbraw/zinc/05/34/24/1390053424.db2.gz WUGMKKGKFUDSJW-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(C)c1 ZINC001332424383 1390113629 /nfs/dbraw/zinc/11/36/29/1390113629.db2.gz LWDKVENQYMABDU-UHFFFAOYSA-N 2 1 329.488 3.016 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cnn(-c4ccc(F)cc4)c3)C[C@@H]2C1 ZINC001333839644 1390419808 /nfs/dbraw/zinc/41/98/08/1390419808.db2.gz AAFWEIUVXCINPC-ABSDTBQOSA-N 2 1 342.462 3.174 20 0 EGADMP COc1ccc2[nH+]ccc(N3CCC[C@H](Cc4[nH+]ccn4C)C3)c2c1 ZINC001334168955 1390492813 /nfs/dbraw/zinc/49/28/13/1390492813.db2.gz SSYNWGPYXAEKDN-OAHLLOKOSA-N 2 1 336.439 3.436 20 0 EGADMP C[C@H](C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C)NC(=O)OC(C)(C)C ZINC001341585242 1390506222 /nfs/dbraw/zinc/50/62/22/1390506222.db2.gz BZEHXTDIIUJBMA-FZKCQIBNSA-N 2 1 327.513 3.141 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc([C@@H]4CCCO4)s3)C[C@H]2C1 ZINC001335133196 1390646547 /nfs/dbraw/zinc/64/65/47/1390646547.db2.gz DQCONCTXWBQZJG-ANQUJSFKSA-N 2 1 335.517 3.157 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001344430660 1390790948 /nfs/dbraw/zinc/79/09/48/1390790948.db2.gz YNCBAMOBYWFHBW-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCc2nccn2C)cc1 ZINC001345632069 1390870535 /nfs/dbraw/zinc/87/05/35/1390870535.db2.gz ISMGUBFIVZVQOE-INIZCTEOSA-N 2 1 340.471 3.366 20 0 EGADMP Fc1ccc(Cn2cc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cn2)cc1 ZINC001345955582 1390897057 /nfs/dbraw/zinc/89/70/57/1390897057.db2.gz HALZPIYOFHGTJV-UHFFFAOYSA-N 2 1 342.462 3.036 20 0 EGADMP Cn1cc(-c2ccc(C[N@@H+](CCC[NH3+])Cc3ccccc3)cc2)cn1 ZINC001349324470 1391321021 /nfs/dbraw/zinc/32/10/21/1391321021.db2.gz GHQJFEALROTVFI-UHFFFAOYSA-N 2 1 334.467 3.438 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1 ZINC001479371104 1392227384 /nfs/dbraw/zinc/22/73/84/1392227384.db2.gz JAESRCBSYSQBRR-QRFRQXIXSA-N 2 1 343.515 3.106 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2C(C)C)C1 ZINC001479969263 1392505866 /nfs/dbraw/zinc/50/58/66/1392505866.db2.gz ZPLSNEPZJNBNRQ-IBGZPJMESA-N 2 1 345.531 3.232 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C(C)C)C1 ZINC001479969263 1392505869 /nfs/dbraw/zinc/50/58/69/1392505869.db2.gz ZPLSNEPZJNBNRQ-IBGZPJMESA-N 2 1 345.531 3.232 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C(C)C)C1 ZINC001479969263 1392505872 /nfs/dbraw/zinc/50/58/72/1392505872.db2.gz ZPLSNEPZJNBNRQ-IBGZPJMESA-N 2 1 345.531 3.232 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001480264248 1392648376 /nfs/dbraw/zinc/64/83/76/1392648376.db2.gz BWKKYQHDOMDRRF-AZUAARDMSA-N 2 1 345.531 3.308 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001480264248 1392648377 /nfs/dbraw/zinc/64/83/77/1392648377.db2.gz BWKKYQHDOMDRRF-AZUAARDMSA-N 2 1 345.531 3.308 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001480264248 1392648378 /nfs/dbraw/zinc/64/83/78/1392648378.db2.gz BWKKYQHDOMDRRF-AZUAARDMSA-N 2 1 345.531 3.308 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1c(C)cccc1C)[NH+](C)C ZINC001480333347 1392693016 /nfs/dbraw/zinc/69/30/16/1392693016.db2.gz RMOVDPGGLBDGPP-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+]1CC1CC1)CC(C)(C)C ZINC001480373854 1392716984 /nfs/dbraw/zinc/71/69/84/1392716984.db2.gz SXBMFZKYYNUVNK-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CC1CC1)CC(C)(C)C ZINC001480373854 1392716987 /nfs/dbraw/zinc/71/69/87/1392716987.db2.gz SXBMFZKYYNUVNK-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+]1CC1CC1)CC(C)(C)C ZINC001480373854 1392716989 /nfs/dbraw/zinc/71/69/89/1392716989.db2.gz SXBMFZKYYNUVNK-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001480624564 1392827403 /nfs/dbraw/zinc/82/74/03/1392827403.db2.gz HIPHKNCOTFPFJU-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480734095 1392898171 /nfs/dbraw/zinc/89/81/71/1392898171.db2.gz YPLYFGAEIQBDNN-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP Cc1cccc(C)c1C[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001480864508 1392987511 /nfs/dbraw/zinc/98/75/11/1392987511.db2.gz RBFYKWSAARGLCR-UHFFFAOYSA-N 2 1 345.531 3.116 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)[C@H](C)c1ccccc1 ZINC001481004454 1393082836 /nfs/dbraw/zinc/08/28/36/1393082836.db2.gz CCCSKVTYMRHEIZ-RTBURBONSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001713719768 1418490456 /nfs/dbraw/zinc/49/04/56/1418490456.db2.gz HGLLXXLGXLJLHJ-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CCCC[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001713719768 1418490457 /nfs/dbraw/zinc/49/04/57/1418490457.db2.gz HGLLXXLGXLJLHJ-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](C/C=C\c2ccccc2)C1 ZINC001490456350 1394233958 /nfs/dbraw/zinc/23/39/58/1394233958.db2.gz AKTILVDHKIAFNM-RVPHRTOXSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](C/C=C\c2ccccc2)C1 ZINC001490456350 1394233963 /nfs/dbraw/zinc/23/39/63/1394233963.db2.gz AKTILVDHKIAFNM-RVPHRTOXSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1 ZINC001490456350 1394233966 /nfs/dbraw/zinc/23/39/66/1394233966.db2.gz AKTILVDHKIAFNM-RVPHRTOXSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@H]1CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001481779677 1394525007 /nfs/dbraw/zinc/52/50/07/1394525007.db2.gz WFKUQMNGGZYQIQ-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(CC)CC)CC1 ZINC001482017465 1394674298 /nfs/dbraw/zinc/67/42/98/1394674298.db2.gz POIATDITDFXRIO-GUDVDZBRSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001482035346 1394696414 /nfs/dbraw/zinc/69/64/14/1394696414.db2.gz XJKYVHYAYSFTNY-XLIONFOSSA-N 2 1 345.531 3.026 20 0 EGADMP CCC[NH+]1CCC(CCNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001482049352 1394711796 /nfs/dbraw/zinc/71/17/96/1394711796.db2.gz ADMNAIOCAOZYMI-HXUWFJFHSA-N 2 1 345.531 3.308 20 0 EGADMP CCCC[NH+]1CCC(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001482051455 1394715294 /nfs/dbraw/zinc/71/52/94/1394715294.db2.gz CHGLGJKLKKUFQS-FQEVSTJZSA-N 2 1 345.531 3.308 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001482055870 1394717699 /nfs/dbraw/zinc/71/76/99/1394717699.db2.gz KWXVDUUPGXBPGV-XCLUONLBSA-N 2 1 335.536 3.044 20 0 EGADMP Cc1cc(C)cc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001482100343 1394747056 /nfs/dbraw/zinc/74/70/56/1394747056.db2.gz DDJSBIUMAARQOH-ICSRJNTNSA-N 2 1 345.531 3.018 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCCc2ccccc21 ZINC001482356447 1394919195 /nfs/dbraw/zinc/91/91/95/1394919195.db2.gz NSOMWAWGQADLEU-FXAWDEMLSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc2ccccc2c1 ZINC001482356321 1394919575 /nfs/dbraw/zinc/91/95/75/1394919575.db2.gz NHKQSLQSVIBTPE-KRWDZBQOSA-N 2 1 341.499 3.118 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+](C)CC2CCC2)CC1 ZINC001482504314 1395057171 /nfs/dbraw/zinc/05/71/71/1395057171.db2.gz ICXMIBYVUCWHMA-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC(CC[N@H+](C)CC2CCC2)CC1 ZINC001482504314 1395057176 /nfs/dbraw/zinc/05/71/76/1395057176.db2.gz ICXMIBYVUCWHMA-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC(CC[N@@H+](C)CC2CCC2)CC1 ZINC001482504314 1395057181 /nfs/dbraw/zinc/05/71/81/1395057181.db2.gz ICXMIBYVUCWHMA-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@](C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001484164758 1395301559 /nfs/dbraw/zinc/30/15/59/1395301559.db2.gz DUSYHBMRBOVZQG-LJQANCHMSA-N 2 1 337.552 3.127 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1)[NH+](C)C ZINC001484390423 1395360122 /nfs/dbraw/zinc/36/01/22/1395360122.db2.gz OPLAYRHGFDGUER-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001484723344 1395486329 /nfs/dbraw/zinc/48/63/29/1395486329.db2.gz NRQVMVARADAYFB-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH+](C)CC1CC(C)C1 ZINC001484760996 1395514021 /nfs/dbraw/zinc/51/40/21/1395514021.db2.gz ORNVMAVPQRGSGO-ACBHZAAOSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)CCC[N@H+](C)CC1CC(C)C1 ZINC001484760996 1395514025 /nfs/dbraw/zinc/51/40/25/1395514025.db2.gz ORNVMAVPQRGSGO-ACBHZAAOSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CC1CC(C)C1 ZINC001484760996 1395514028 /nfs/dbraw/zinc/51/40/28/1395514028.db2.gz ORNVMAVPQRGSGO-ACBHZAAOSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H](C(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1cccc(C)c1)[NH+](C)C ZINC001484765816 1395519538 /nfs/dbraw/zinc/51/95/38/1395519538.db2.gz SVWKDENUQANJGT-HKUYNNGSSA-N 2 1 333.520 3.177 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001484983688 1395625085 /nfs/dbraw/zinc/62/50/85/1395625085.db2.gz XBSXMQOEBNJBAL-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001484983688 1395625091 /nfs/dbraw/zinc/62/50/91/1395625091.db2.gz XBSXMQOEBNJBAL-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001484983688 1395625094 /nfs/dbraw/zinc/62/50/94/1395625094.db2.gz XBSXMQOEBNJBAL-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC(CC)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001485767920 1396145178 /nfs/dbraw/zinc/14/51/78/1396145178.db2.gz SHODMXGBICRNCQ-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001485767920 1396145179 /nfs/dbraw/zinc/14/51/79/1396145179.db2.gz SHODMXGBICRNCQ-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001485767920 1396145187 /nfs/dbraw/zinc/14/51/87/1396145187.db2.gz SHODMXGBICRNCQ-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC001486089381 1396176414 /nfs/dbraw/zinc/17/64/14/1396176414.db2.gz RNKZACYIOJXACZ-NVXWUHKLSA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1ccccc1 ZINC001690487266 1404601867 /nfs/dbraw/zinc/60/18/67/1404601867.db2.gz MNZLIKHXWYWHKL-IEBWSBKVSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@@H]([NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1 ZINC001690713903 1404696118 /nfs/dbraw/zinc/69/61/18/1404696118.db2.gz ZDZZIMMGRFBPBM-YLJYHZDGSA-N 2 1 343.515 3.060 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001690780804 1404728969 /nfs/dbraw/zinc/72/89/69/1404728969.db2.gz LYVPMCWZCRHTFJ-ROUUACIJSA-N 2 1 339.568 3.418 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001690785579 1404732858 /nfs/dbraw/zinc/73/28/58/1404732858.db2.gz WAHKGGHYEHOBFL-WOJBJXKFSA-N 2 1 345.531 3.162 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2c(C)cccc2C)C1 ZINC001690822959 1404759228 /nfs/dbraw/zinc/75/92/28/1404759228.db2.gz OXSWVFOKXLFUBH-IBGZPJMESA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)Cc2c(C)cccc2C)C1 ZINC001690822959 1404759229 /nfs/dbraw/zinc/75/92/29/1404759229.db2.gz OXSWVFOKXLFUBH-IBGZPJMESA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)Cc2c(C)cccc2C)C1 ZINC001690822959 1404759231 /nfs/dbraw/zinc/75/92/31/1404759231.db2.gz OXSWVFOKXLFUBH-IBGZPJMESA-N 2 1 345.531 3.068 20 0 EGADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001690989602 1404906374 /nfs/dbraw/zinc/90/63/74/1404906374.db2.gz CJPNIVKTAQAUBY-PBHICJAKSA-N 2 1 339.911 3.035 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC2(C[C@H]1C)CC[NH+](CC1CCC1)CC2 ZINC001691690333 1405425100 /nfs/dbraw/zinc/42/51/00/1405425100.db2.gz RBHYXDPKNCOCBT-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH+](C)Cc2cccc(C)c2)CC1 ZINC001692026278 1405744042 /nfs/dbraw/zinc/74/40/42/1405744042.db2.gz FTZILVHURHLCIM-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC(C[N@H+](C)Cc2cccc(C)c2)CC1 ZINC001692026278 1405744044 /nfs/dbraw/zinc/74/40/44/1405744044.db2.gz FTZILVHURHLCIM-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC(C[N@@H+](C)Cc2cccc(C)c2)CC1 ZINC001692026278 1405744047 /nfs/dbraw/zinc/74/40/47/1405744047.db2.gz FTZILVHURHLCIM-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001692150815 1405803587 /nfs/dbraw/zinc/80/35/87/1405803587.db2.gz AGCRGOGGBGLWLT-AYOQOUSVSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+]([C@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001692150815 1405803593 /nfs/dbraw/zinc/80/35/93/1405803593.db2.gz AGCRGOGGBGLWLT-AYOQOUSVSA-N 2 1 349.494 3.054 20 0 EGADMP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001698586378 1406203468 /nfs/dbraw/zinc/20/34/68/1406203468.db2.gz BTJNCYRSWOUGEB-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CC[NH+](Cc2ccc(C)cc2C)C1 ZINC001698586378 1406203472 /nfs/dbraw/zinc/20/34/72/1406203472.db2.gz BTJNCYRSWOUGEB-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CC[NH+](Cc2ccc(C)cc2C)C1 ZINC001698586378 1406203475 /nfs/dbraw/zinc/20/34/75/1406203475.db2.gz BTJNCYRSWOUGEB-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1)[NH+](C)C ZINC001698588818 1406209364 /nfs/dbraw/zinc/20/93/64/1406209364.db2.gz UNZJYPHRECGVIC-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[C@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001732058368 1428303771 /nfs/dbraw/zinc/30/37/71/1428303771.db2.gz FJKLDSMNIXYFEF-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001732058368 1428303773 /nfs/dbraw/zinc/30/37/73/1428303773.db2.gz FJKLDSMNIXYFEF-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC001732058368 1428303775 /nfs/dbraw/zinc/30/37/75/1428303775.db2.gz FJKLDSMNIXYFEF-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCC1 ZINC001732151031 1428394564 /nfs/dbraw/zinc/39/45/64/1428394564.db2.gz VNECTINSPAPCTN-PMACEKPBSA-N 2 1 347.547 3.118 20 0 EGADMP C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001732488901 1428611880 /nfs/dbraw/zinc/61/18/80/1428611880.db2.gz ONNBXOSWAMFOCX-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699471749 1412853143 /nfs/dbraw/zinc/85/31/43/1412853143.db2.gz LQGXWRNWAOBRNP-ZWKOTPCHSA-N 2 1 339.568 3.226 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001699489647 1412886406 /nfs/dbraw/zinc/88/64/06/1412886406.db2.gz ZZLYGEGFAQUFRL-MOPGFXCFSA-N 2 1 337.552 3.173 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC001699630680 1413000938 /nfs/dbraw/zinc/00/09/38/1413000938.db2.gz ROGDYBNGRRFULX-IBGZPJMESA-N 2 1 345.531 3.016 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001699700920 1413114457 /nfs/dbraw/zinc/11/44/57/1413114457.db2.gz BFXNLBULCFAWNE-NQIIRXRSSA-N 2 1 343.515 3.014 20 0 EGADMP CCCC[N@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001699877124 1413337100 /nfs/dbraw/zinc/33/71/00/1413337100.db2.gz QRADXPKLTXMQPS-NRFANRHFSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001700185352 1413604541 /nfs/dbraw/zinc/60/45/41/1413604541.db2.gz ZSYMRDVKPXTJBQ-OALUTQOASA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2C)CC1 ZINC001700185352 1413604544 /nfs/dbraw/zinc/60/45/44/1413604544.db2.gz ZSYMRDVKPXTJBQ-OALUTQOASA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2C)CC1 ZINC001700185352 1413604548 /nfs/dbraw/zinc/60/45/48/1413604548.db2.gz ZSYMRDVKPXTJBQ-OALUTQOASA-N 2 1 345.531 3.369 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001700190880 1413619388 /nfs/dbraw/zinc/61/93/88/1413619388.db2.gz LTCYFOCBUWYWHX-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001700190880 1413619390 /nfs/dbraw/zinc/61/93/90/1413619390.db2.gz LTCYFOCBUWYWHX-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001700190880 1413619394 /nfs/dbraw/zinc/61/93/94/1413619394.db2.gz LTCYFOCBUWYWHX-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001700196404 1413638041 /nfs/dbraw/zinc/63/80/41/1413638041.db2.gz DZJMTPKVFLCBHQ-VQTJNVASSA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCCC(C)(C)C)CC1(C)C)[NH+](C)C ZINC001700291824 1413745195 /nfs/dbraw/zinc/74/51/95/1413745195.db2.gz GQLGCAURMUBERZ-DLBZAZTESA-N 2 1 339.568 3.370 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CC2CCC2)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001700844559 1414493759 /nfs/dbraw/zinc/49/37/59/1414493759.db2.gz WOYOFUZWHNTLKC-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCC[N@H+]1CCC1CC1 ZINC001700880437 1414536315 /nfs/dbraw/zinc/53/63/15/1414536315.db2.gz MKFVDZPXDCSRKN-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C(=O)N(CC[N@@H+](C)Cc1ccccc1C)C(C)C)[NH+](C)C ZINC001700976964 1414613356 /nfs/dbraw/zinc/61/33/56/1414613356.db2.gz BRGFKHPTUXNAHG-LJQANCHMSA-N 2 1 333.520 3.004 20 0 EGADMP Cc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733037409 1429163373 /nfs/dbraw/zinc/16/33/73/1429163373.db2.gz GIIOXPLIQUZCMO-GOSISDBHSA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCC1CCCC1 ZINC001707442629 1417346743 /nfs/dbraw/zinc/34/67/43/1417346743.db2.gz HLVVDGXCSAKICY-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@@H+](CCC3CC3)C2)CCCCC1 ZINC001713217923 1417797038 /nfs/dbraw/zinc/79/70/38/1417797038.db2.gz LGVSQNXIPQMSJV-IBGZPJMESA-N 2 1 349.563 3.127 20 0 EGADMP C[C@H](C[N@@H+](C)C/C=C\c1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001733067601 1429221908 /nfs/dbraw/zinc/22/19/08/1429221908.db2.gz QULVGTLEINQENU-UZRURVBFSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001713399536 1418019331 /nfs/dbraw/zinc/01/93/31/1418019331.db2.gz OQOALAGDTCSZFF-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001713399536 1418019336 /nfs/dbraw/zinc/01/93/36/1418019336.db2.gz OQOALAGDTCSZFF-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001713399536 1418019339 /nfs/dbraw/zinc/01/93/39/1418019339.db2.gz OQOALAGDTCSZFF-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP CCc1ccccc1C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001713469723 1418136353 /nfs/dbraw/zinc/13/63/53/1418136353.db2.gz XCERCJOREAMFHR-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001713469723 1418136357 /nfs/dbraw/zinc/13/63/57/1418136357.db2.gz XCERCJOREAMFHR-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001713469723 1418136361 /nfs/dbraw/zinc/13/63/61/1418136361.db2.gz XCERCJOREAMFHR-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001713538431 1418295385 /nfs/dbraw/zinc/29/53/85/1418295385.db2.gz LLLTVJHOVVGIGL-QZTJIDSGSA-N 2 1 348.535 3.127 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001713538431 1418295391 /nfs/dbraw/zinc/29/53/91/1418295391.db2.gz LLLTVJHOVVGIGL-QZTJIDSGSA-N 2 1 348.535 3.127 20 0 EGADMP CCCC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713719768 1418490455 /nfs/dbraw/zinc/49/04/55/1418490455.db2.gz HGLLXXLGXLJLHJ-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](CCNC(=O)CCC[NH+](C)C)C2)c1 ZINC001713735929 1418529293 /nfs/dbraw/zinc/52/92/93/1418529293.db2.gz ZOQJGWTZABHUCU-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001713804719 1418617327 /nfs/dbraw/zinc/61/73/27/1418617327.db2.gz CKRGZIIAZVWOHX-SJORKVTESA-N 2 1 349.494 3.199 20 0 EGADMP CCc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC001714141607 1418943944 /nfs/dbraw/zinc/94/39/44/1418943944.db2.gz CTMVMXKDLXXKNM-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001714154781 1418963148 /nfs/dbraw/zinc/96/31/48/1418963148.db2.gz ZIXVUWMGSAGSTR-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001714154781 1418963152 /nfs/dbraw/zinc/96/31/52/1418963152.db2.gz ZIXVUWMGSAGSTR-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001714154781 1418963153 /nfs/dbraw/zinc/96/31/53/1418963153.db2.gz ZIXVUWMGSAGSTR-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714543752 1419269604 /nfs/dbraw/zinc/26/96/04/1419269604.db2.gz RTOPDJJACMKZQV-UHFFFAOYSA-N 2 1 325.541 3.125 20 0 EGADMP C[C@@H](c1ccccc1Cl)[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001714550733 1419277373 /nfs/dbraw/zinc/27/73/73/1419277373.db2.gz ATKQWAJKDAQUNP-HNNXBMFYSA-N 2 1 349.906 3.077 20 0 EGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001714550733 1419277376 /nfs/dbraw/zinc/27/73/76/1419277376.db2.gz ATKQWAJKDAQUNP-HNNXBMFYSA-N 2 1 349.906 3.077 20 0 EGADMP O=C(NCC[C@H]1CC[N@@H+](CCCC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001714868196 1419596479 /nfs/dbraw/zinc/59/64/79/1419596479.db2.gz OOSHZVMSHLOWEO-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP C[NH+]1CCC(CC(=O)NCC[C@@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001714882442 1419620005 /nfs/dbraw/zinc/62/00/05/1419620005.db2.gz OSBIEMLYRJHXMY-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001714922210 1419675159 /nfs/dbraw/zinc/67/51/59/1419675159.db2.gz PNSKNDQUHUABNZ-GPMSIDNRSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001714922210 1419675162 /nfs/dbraw/zinc/67/51/62/1419675162.db2.gz PNSKNDQUHUABNZ-GPMSIDNRSA-N 2 1 349.494 3.054 20 0 EGADMP CC1CC(C[NH2+]C[C@H]2CCCN2C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001715211831 1419944142 /nfs/dbraw/zinc/94/41/42/1419944142.db2.gz YXTNVGDDZPDAMP-AFMYVXGZSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(C)cc2C)CCCC1 ZINC001715307987 1420017282 /nfs/dbraw/zinc/01/72/82/1420017282.db2.gz PJGYGAVOROUEQN-UHFFFAOYSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001715422350 1420114364 /nfs/dbraw/zinc/11/43/64/1420114364.db2.gz PLFOGZDDMZWZPO-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCC2CCCC2)C1 ZINC001715457498 1420138528 /nfs/dbraw/zinc/13/85/28/1420138528.db2.gz GRGPVZAVYSQAJS-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccccc2C)C1 ZINC001715457574 1420138798 /nfs/dbraw/zinc/13/87/98/1420138798.db2.gz HMSARKUCTRQFQB-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CCC2CC2)CC1 ZINC001715472088 1420150972 /nfs/dbraw/zinc/15/09/72/1420150972.db2.gz TXZCJYXKPYYRAA-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CCC2CC2)CC1 ZINC001715472088 1420150974 /nfs/dbraw/zinc/15/09/74/1420150974.db2.gz TXZCJYXKPYYRAA-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CCC2CC2)CC1 ZINC001715472088 1420150976 /nfs/dbraw/zinc/15/09/76/1420150976.db2.gz TXZCJYXKPYYRAA-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001715497331 1420179041 /nfs/dbraw/zinc/17/90/41/1420179041.db2.gz DMIMXHSXSLCKLM-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001715497331 1420179043 /nfs/dbraw/zinc/17/90/43/1420179043.db2.gz DMIMXHSXSLCKLM-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001715497331 1420179045 /nfs/dbraw/zinc/17/90/45/1420179045.db2.gz DMIMXHSXSLCKLM-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H](C[N@@H+](C)CC1CCCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001716044181 1420507337 /nfs/dbraw/zinc/50/73/37/1420507337.db2.gz AWLMQZGDNKUEJD-QGZVFWFLSA-N 2 1 345.531 3.379 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCCC(C)(C)C)C1 ZINC001716051941 1420516338 /nfs/dbraw/zinc/51/63/38/1420516338.db2.gz UCUHORUMVCHBDT-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001716420630 1420647893 /nfs/dbraw/zinc/64/78/93/1420647893.db2.gz WYKGXRQAAVTXPN-DNVCBOLYSA-N 2 1 349.494 3.029 20 0 EGADMP CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC001733274997 1429437883 /nfs/dbraw/zinc/43/78/83/1429437883.db2.gz RXWFDELGKGYHIP-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001733274997 1429437886 /nfs/dbraw/zinc/43/78/86/1429437886.db2.gz RXWFDELGKGYHIP-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001733274997 1429437888 /nfs/dbraw/zinc/43/78/88/1429437888.db2.gz RXWFDELGKGYHIP-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2CC2CCC(C)(C)CC2)CC1 ZINC001716666271 1420820514 /nfs/dbraw/zinc/82/05/14/1420820514.db2.gz CRNORGMUZGEYFW-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC001716767772 1420912937 /nfs/dbraw/zinc/91/29/37/1420912937.db2.gz PQUXOJBFLKWMQU-FUHWJXTLSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CCCCCC1 ZINC001733278577 1429446613 /nfs/dbraw/zinc/44/66/13/1429446613.db2.gz UYKWBFRSOTZSRN-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCCCC1 ZINC001733278577 1429446631 /nfs/dbraw/zinc/44/66/31/1429446631.db2.gz UYKWBFRSOTZSRN-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCCCC1 ZINC001733278577 1429446635 /nfs/dbraw/zinc/44/66/35/1429446635.db2.gz UYKWBFRSOTZSRN-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC2CCCCC2)CC1 ZINC001716886359 1421010061 /nfs/dbraw/zinc/01/00/61/1421010061.db2.gz HSLYTLJOFFUAFM-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001717145177 1421138022 /nfs/dbraw/zinc/13/80/22/1421138022.db2.gz KASWJPGRZHKVNG-HWYAZIHESA-N 2 1 349.563 3.434 20 0 EGADMP CC[N@@H+](CC(C)C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001717357337 1421293262 /nfs/dbraw/zinc/29/32/62/1421293262.db2.gz JWRSXJPIPTWLJY-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](CC(C)C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001717357337 1421293263 /nfs/dbraw/zinc/29/32/63/1421293263.db2.gz JWRSXJPIPTWLJY-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](CC(C)C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001717357337 1421293264 /nfs/dbraw/zinc/29/32/64/1421293264.db2.gz JWRSXJPIPTWLJY-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@@H]1CCCc2ccccc21 ZINC001717494618 1421434543 /nfs/dbraw/zinc/43/45/43/1421434543.db2.gz KRYYDFXAPNZAMP-YLJYHZDGSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC001717494618 1421434545 /nfs/dbraw/zinc/43/45/45/1421434545.db2.gz KRYYDFXAPNZAMP-YLJYHZDGSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC001717494618 1421434547 /nfs/dbraw/zinc/43/45/47/1421434547.db2.gz KRYYDFXAPNZAMP-YLJYHZDGSA-N 2 1 345.531 3.232 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C1C[NH+](CCC2CCCC2)C1 ZINC001717559617 1421495633 /nfs/dbraw/zinc/49/56/33/1421495633.db2.gz SOSLHMUJAAWJDF-INIZCTEOSA-N 2 1 346.519 3.023 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)[C@H]1C ZINC001717801966 1421630051 /nfs/dbraw/zinc/63/00/51/1421630051.db2.gz JPJUKMMAOJCVTF-POQYLXETSA-N 2 1 343.515 3.011 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001717882745 1421686480 /nfs/dbraw/zinc/68/64/80/1421686480.db2.gz HLGZLRBHRXFZFS-QUCCMNQESA-N 2 1 345.531 3.020 20 0 EGADMP Cc1cccc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C2)c1 ZINC001717996550 1421764440 /nfs/dbraw/zinc/76/44/40/1421764440.db2.gz IPIZOTIRQNQITO-UHFFFAOYSA-N 2 1 345.531 3.052 20 0 EGADMP C[N@@H+](CC(=O)N[C@@]1(C)CC[NH+](CC2CCCCC2)C1)CC(C)(C)C ZINC001733415153 1429618744 /nfs/dbraw/zinc/61/87/44/1429618744.db2.gz YUXUNQWXJVTBPR-FQEVSTJZSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)N[C@@]1(C)CC[N@H+](CC2CCCCC2)C1)CC(C)(C)C ZINC001733415153 1429618746 /nfs/dbraw/zinc/61/87/46/1429618746.db2.gz YUXUNQWXJVTBPR-FQEVSTJZSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)N[C@@]1(C)CC[N@@H+](CC2CCCCC2)C1)CC(C)(C)C ZINC001733415153 1429618747 /nfs/dbraw/zinc/61/87/47/1429618747.db2.gz YUXUNQWXJVTBPR-FQEVSTJZSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001733463077 1429691909 /nfs/dbraw/zinc/69/19/09/1429691909.db2.gz PTPIBTKTPGONPR-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001733463077 1429691910 /nfs/dbraw/zinc/69/19/10/1429691910.db2.gz PTPIBTKTPGONPR-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001733463077 1429691912 /nfs/dbraw/zinc/69/19/12/1429691912.db2.gz PTPIBTKTPGONPR-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CC3CCCCCC3)CC2)C1 ZINC001723552126 1424460525 /nfs/dbraw/zinc/46/05/25/1424460525.db2.gz MPGBITWTFLBNPG-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CC[N@H+](CCNC(=O)C[NH+](C)Cc1ccccc1)C1CCCCCC1 ZINC001723641045 1424509346 /nfs/dbraw/zinc/50/93/46/1424509346.db2.gz WFGNRPRZPFKWSO-UHFFFAOYSA-N 2 1 345.531 3.279 20 0 EGADMP CC[N@@H+](CCNC(=O)C[NH+](C)Cc1ccccc1)C1CCCCCC1 ZINC001723641045 1424509349 /nfs/dbraw/zinc/50/93/49/1424509349.db2.gz WFGNRPRZPFKWSO-UHFFFAOYSA-N 2 1 345.531 3.279 20 0 EGADMP CC[NH+](CCNC(=O)C[N@H+](C)Cc1ccccc1)C1CCCCCC1 ZINC001723641045 1424509353 /nfs/dbraw/zinc/50/93/53/1424509353.db2.gz WFGNRPRZPFKWSO-UHFFFAOYSA-N 2 1 345.531 3.279 20 0 EGADMP CC[NH+](CCNC(=O)C[N@@H+](C)Cc1ccccc1)C1CCCCCC1 ZINC001723641045 1424509355 /nfs/dbraw/zinc/50/93/55/1424509355.db2.gz WFGNRPRZPFKWSO-UHFFFAOYSA-N 2 1 345.531 3.279 20 0 EGADMP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)CC2)CCC1 ZINC001724836275 1425184563 /nfs/dbraw/zinc/18/45/63/1425184563.db2.gz GVPCENXLXQARFN-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001724846778 1425200270 /nfs/dbraw/zinc/20/02/70/1425200270.db2.gz TZTZGJSRYREKGN-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001724846778 1425200277 /nfs/dbraw/zinc/20/02/77/1425200277.db2.gz TZTZGJSRYREKGN-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001724846778 1425200281 /nfs/dbraw/zinc/20/02/81/1425200281.db2.gz TZTZGJSRYREKGN-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP C[C@@H](c1ccccc1F)[N@@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001724850005 1425209914 /nfs/dbraw/zinc/20/99/14/1425209914.db2.gz BZKUWZUMNLUTQQ-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH+](C)CCC1CCCC1 ZINC001724850582 1425213228 /nfs/dbraw/zinc/21/32/28/1425213228.db2.gz IXMKCZCLNHHYFE-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CCC[N@H+](C)CCC1CCCC1 ZINC001724850582 1425213230 /nfs/dbraw/zinc/21/32/30/1425213230.db2.gz IXMKCZCLNHHYFE-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)CCC1CCCC1 ZINC001724850582 1425213232 /nfs/dbraw/zinc/21/32/32/1425213232.db2.gz IXMKCZCLNHHYFE-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH+](C)[C@@H](C)c1ccccc1 ZINC001724859292 1425239873 /nfs/dbraw/zinc/23/98/73/1425239873.db2.gz CIJKBWOLTIOXID-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001724859292 1425239876 /nfs/dbraw/zinc/23/98/76/1425239876.db2.gz CIJKBWOLTIOXID-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001724859292 1425239881 /nfs/dbraw/zinc/23/98/81/1425239881.db2.gz CIJKBWOLTIOXID-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CCCC[N@H+]1Cc2ccc(CNC(=O)[C@@H](C)Cc3c[nH]cn3)cc2C1 ZINC001724924174 1425315005 /nfs/dbraw/zinc/31/50/05/1425315005.db2.gz VNPHJCNHHCBTMU-HNNXBMFYSA-N 2 1 340.471 3.020 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CCCC1CCCC1 ZINC001724991470 1425394067 /nfs/dbraw/zinc/39/40/67/1425394067.db2.gz HICYURVZYXPHGP-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CCCC1CCCC1 ZINC001724991470 1425394075 /nfs/dbraw/zinc/39/40/75/1425394075.db2.gz HICYURVZYXPHGP-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CCCC1CCCC1 ZINC001724991470 1425394081 /nfs/dbraw/zinc/39/40/81/1425394081.db2.gz HICYURVZYXPHGP-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001725003481 1425413978 /nfs/dbraw/zinc/41/39/78/1425413978.db2.gz PQQZJDJWAQRCBT-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001725003481 1425413983 /nfs/dbraw/zinc/41/39/83/1425413983.db2.gz PQQZJDJWAQRCBT-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001725003481 1425413985 /nfs/dbraw/zinc/41/39/85/1425413985.db2.gz PQQZJDJWAQRCBT-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cccc(F)c2)[C@@H](C)C1 ZINC001725003287 1425414188 /nfs/dbraw/zinc/41/41/88/1425414188.db2.gz PAAYZIQBPZCFSV-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(F)c2)[C@@H](C)C1 ZINC001725003287 1425414193 /nfs/dbraw/zinc/41/41/93/1425414193.db2.gz PAAYZIQBPZCFSV-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(F)c2)[C@@H](C)C1 ZINC001725003287 1425414197 /nfs/dbraw/zinc/41/41/97/1425414197.db2.gz PAAYZIQBPZCFSV-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CCC[N@H+]1CCC1CC1 ZINC001725613103 1426273830 /nfs/dbraw/zinc/27/38/30/1426273830.db2.gz AYFXWRSDWKIFNC-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CCC[NH+]1CCC1CC1 ZINC001725613103 1426273833 /nfs/dbraw/zinc/27/38/33/1426273833.db2.gz AYFXWRSDWKIFNC-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CCC[NH+]1CCC1CC1 ZINC001725613103 1426273835 /nfs/dbraw/zinc/27/38/35/1426273835.db2.gz AYFXWRSDWKIFNC-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2c(C)cccc2C)[C@@H]1C ZINC001725627494 1426293926 /nfs/dbraw/zinc/29/39/26/1426293926.db2.gz LNDCFRPHDMBWGW-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2c(C)cccc2C)[C@@H]1C ZINC001725627494 1426293927 /nfs/dbraw/zinc/29/39/27/1426293927.db2.gz LNDCFRPHDMBWGW-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2c(C)cccc2C)[C@@H]1C ZINC001725627494 1426293931 /nfs/dbraw/zinc/29/39/31/1426293931.db2.gz LNDCFRPHDMBWGW-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001725657153 1426339924 /nfs/dbraw/zinc/33/99/24/1426339924.db2.gz UGXPEZCWHXSBIP-OALUTQOASA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001725669527 1426353683 /nfs/dbraw/zinc/35/36/83/1426353683.db2.gz XTDHAWHEPHDNSW-MOPGFXCFSA-N 2 1 337.552 3.173 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C[NH2+]Cc1cc(C)ccc1C)C(C)(C)C ZINC001725753326 1426432267 /nfs/dbraw/zinc/43/22/67/1426432267.db2.gz DDAFZMNLDBFQQF-LJQANCHMSA-N 2 1 347.547 3.266 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001731560327 1427595609 /nfs/dbraw/zinc/59/56/09/1427595609.db2.gz VOZCQXGCYMDYGS-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC001731560327 1427595614 /nfs/dbraw/zinc/59/56/14/1427595614.db2.gz VOZCQXGCYMDYGS-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001731560327 1427595616 /nfs/dbraw/zinc/59/56/16/1427595616.db2.gz VOZCQXGCYMDYGS-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001731561063 1427597681 /nfs/dbraw/zinc/59/76/81/1427597681.db2.gz YQIUERUHXQHYBQ-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC001731561063 1427597682 /nfs/dbraw/zinc/59/76/82/1427597682.db2.gz YQIUERUHXQHYBQ-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001731561063 1427597687 /nfs/dbraw/zinc/59/76/87/1427597687.db2.gz YQIUERUHXQHYBQ-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001731719463 1427785824 /nfs/dbraw/zinc/78/58/24/1427785824.db2.gz GVZNFHCNGFLVDV-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001731719463 1427785831 /nfs/dbraw/zinc/78/58/31/1427785831.db2.gz GVZNFHCNGFLVDV-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001731719463 1427785835 /nfs/dbraw/zinc/78/58/35/1427785835.db2.gz GVZNFHCNGFLVDV-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CC(C)c1ccccc1C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001731728996 1427803744 /nfs/dbraw/zinc/80/37/44/1427803744.db2.gz FAJGSYGVODAIDS-FXAWDEMLSA-N 2 1 345.531 3.279 20 0 EGADMP C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CCC1CCCC1 ZINC001731782161 1427906154 /nfs/dbraw/zinc/90/61/54/1427906154.db2.gz FNSNUGGAZKIRGJ-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)CCC1CCCC1 ZINC001731782161 1427906159 /nfs/dbraw/zinc/90/61/59/1427906159.db2.gz FNSNUGGAZKIRGJ-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)CCC1CCCC1 ZINC001731782161 1427906162 /nfs/dbraw/zinc/90/61/62/1427906162.db2.gz FNSNUGGAZKIRGJ-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@H+]2CCC2CCCCCC2)CCC1 ZINC001731829540 1428036421 /nfs/dbraw/zinc/03/64/21/1428036421.db2.gz QUWZTBNKBGERGP-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001733670567 1429864700 /nfs/dbraw/zinc/86/47/00/1429864700.db2.gz LWFIFIZFHRWONY-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)c1 ZINC001733711053 1429927050 /nfs/dbraw/zinc/92/70/50/1429927050.db2.gz JZDJJWKUGPAAFD-AZUAARDMSA-N 2 1 345.531 3.367 20 0 EGADMP CC(C)[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001733939433 1437755379 /nfs/dbraw/zinc/75/53/79/1437755379.db2.gz BGWZKEIJHFJKKZ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)CCC)[C@@H]2C)cc1 ZINC001734405502 1438084456 /nfs/dbraw/zinc/08/44/56/1438084456.db2.gz PMNNMXPJGFBIRU-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC1=CCCCC1 ZINC001752229535 1440158011 /nfs/dbraw/zinc/15/80/11/1440158011.db2.gz LTOWJQIHHCOQSV-ROUUACIJSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001752470544 1440184280 /nfs/dbraw/zinc/18/42/80/1440184280.db2.gz HCBCIRHNGGJXEK-RBUKOAKNSA-N 2 1 349.563 3.027 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]([NH2+]CC1CCCCC1)C1CC1)CC(C)(C)C ZINC001752483734 1440186060 /nfs/dbraw/zinc/18/60/60/1440186060.db2.gz AASWZEAKDQIYCB-GOSISDBHSA-N 2 1 337.552 3.029 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)CC(C)C ZINC001752702769 1440201738 /nfs/dbraw/zinc/20/17/38/1440201738.db2.gz NDABTJHOPWWMFJ-QBUWPKIASA-N 2 1 337.552 3.122 20 0 EGADMP CCC[NH+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)CC(C)C ZINC001752702769 1440201739 /nfs/dbraw/zinc/20/17/39/1440201739.db2.gz NDABTJHOPWWMFJ-QBUWPKIASA-N 2 1 337.552 3.122 20 0 EGADMP CCC[NH+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CC(C)C ZINC001752702769 1440201740 /nfs/dbraw/zinc/20/17/40/1440201740.db2.gz NDABTJHOPWWMFJ-QBUWPKIASA-N 2 1 337.552 3.122 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001752825210 1440223225 /nfs/dbraw/zinc/22/32/25/1440223225.db2.gz NHQNHKOTLOVNSQ-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001752825914 1440223602 /nfs/dbraw/zinc/22/36/02/1440223602.db2.gz BZAQWERLYALGFR-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001752825914 1440223603 /nfs/dbraw/zinc/22/36/03/1440223603.db2.gz BZAQWERLYALGFR-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@@H](C)C[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001752825914 1440223604 /nfs/dbraw/zinc/22/36/04/1440223604.db2.gz BZAQWERLYALGFR-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@@H](C)C[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001752825914 1440223605 /nfs/dbraw/zinc/22/36/05/1440223605.db2.gz BZAQWERLYALGFR-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1F ZINC001752825626 1440223653 /nfs/dbraw/zinc/22/36/53/1440223653.db2.gz XKRIWGAHVNJQMC-SFHVURJKSA-N 2 1 349.494 3.028 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC001752825626 1440223654 /nfs/dbraw/zinc/22/36/54/1440223654.db2.gz XKRIWGAHVNJQMC-SFHVURJKSA-N 2 1 349.494 3.028 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1F ZINC001752825626 1440223655 /nfs/dbraw/zinc/22/36/55/1440223655.db2.gz XKRIWGAHVNJQMC-SFHVURJKSA-N 2 1 349.494 3.028 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001752831129 1440225274 /nfs/dbraw/zinc/22/52/74/1440225274.db2.gz AQHIYGTZVCNZSD-MOPGFXCFSA-N 2 1 337.552 3.364 20 0 EGADMP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001752839139 1440229230 /nfs/dbraw/zinc/22/92/30/1440229230.db2.gz BRKBTQTXMXGYIM-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[NH2+]CC1=CCCCC1 ZINC001752873122 1440237396 /nfs/dbraw/zinc/23/73/96/1440237396.db2.gz OYBRNHNTJWHOLM-MJGOQNOKSA-N 2 1 347.547 3.236 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001752907046 1440244370 /nfs/dbraw/zinc/24/43/70/1440244370.db2.gz VYJVICJIOUJZDA-MRXNPFEDSA-N 2 1 348.535 3.317 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1CCC[C@H]([NH2+]CCC2CC2)C1)C1CCCCC1 ZINC001752973228 1440255531 /nfs/dbraw/zinc/25/55/31/1440255531.db2.gz GHKYTEZMQYNTFN-OALUTQOASA-N 2 1 349.563 3.458 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCC[NH+]2CC2=CCCCC2)CC[N@H+]1C ZINC001753028352 1440272052 /nfs/dbraw/zinc/27/20/52/1440272052.db2.gz ZUOWMOBKQPZUGL-YZGWKJHDSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCC[N@@H+]2CC2=CCCCC2)CC[NH+]1C ZINC001753028352 1440272053 /nfs/dbraw/zinc/27/20/53/1440272053.db2.gz ZUOWMOBKQPZUGL-YZGWKJHDSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCC[N@H+]2CC2=CCCCC2)CC[NH+]1C ZINC001753028352 1440272054 /nfs/dbraw/zinc/27/20/54/1440272054.db2.gz ZUOWMOBKQPZUGL-YZGWKJHDSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001753033121 1440273692 /nfs/dbraw/zinc/27/36/92/1440273692.db2.gz FISMVQUJZAOFHC-HMECNJMJSA-N 2 1 335.536 3.045 20 0 EGADMP C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CC1CCCC1 ZINC001753061727 1440283572 /nfs/dbraw/zinc/28/35/72/1440283572.db2.gz MXCREKMEQPLZHS-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)CC1CCCC1 ZINC001753061727 1440283573 /nfs/dbraw/zinc/28/35/73/1440283573.db2.gz MXCREKMEQPLZHS-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)CC1CCCC1 ZINC001753061727 1440283574 /nfs/dbraw/zinc/28/35/74/1440283574.db2.gz MXCREKMEQPLZHS-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001753112878 1440309687 /nfs/dbraw/zinc/30/96/87/1440309687.db2.gz IBVIPWJEBJAFQF-LJQANCHMSA-N 2 1 344.503 3.053 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001753112878 1440309688 /nfs/dbraw/zinc/30/96/88/1440309688.db2.gz IBVIPWJEBJAFQF-LJQANCHMSA-N 2 1 344.503 3.053 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](CCC1CCCCC1)C1CC1 ZINC001753164747 1440335811 /nfs/dbraw/zinc/33/58/11/1440335811.db2.gz FOEVFEUUWDZVOV-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](CCC1CCCCC1)C1CC1 ZINC001753164747 1440335812 /nfs/dbraw/zinc/33/58/12/1440335812.db2.gz FOEVFEUUWDZVOV-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](CCC1CCCCC1)C1CC1 ZINC001753164747 1440335813 /nfs/dbraw/zinc/33/58/13/1440335813.db2.gz FOEVFEUUWDZVOV-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)C[NH+]1CCCC1)CC1CCCCCC1 ZINC001753295600 1440352053 /nfs/dbraw/zinc/35/20/53/1440352053.db2.gz XVRARLAXUJMOSN-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP C[NH+](C)CC1(C(=O)NCC[C@H]2CC[N@@H+](CCC3=CCCCC3)C2)CC1 ZINC001753336688 1440372817 /nfs/dbraw/zinc/37/28/17/1440372817.db2.gz YPZAMESLVSQRGL-IBGZPJMESA-N 2 1 347.547 3.047 20 0 EGADMP O=C(CCC[NH+]1CCCC1)NCC[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001753340396 1440374999 /nfs/dbraw/zinc/37/49/99/1440374999.db2.gz ATCAXNAEEIHUDR-HXUWFJFHSA-N 2 1 347.547 3.191 20 0 EGADMP CCC/C=C\CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001753354345 1440379341 /nfs/dbraw/zinc/37/93/41/1440379341.db2.gz DRCHPFGXUUUWIP-PCUMXMLJSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001753354345 1440379342 /nfs/dbraw/zinc/37/93/42/1440379342.db2.gz DRCHPFGXUUUWIP-PCUMXMLJSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001753354345 1440379343 /nfs/dbraw/zinc/37/93/43/1440379343.db2.gz DRCHPFGXUUUWIP-PCUMXMLJSA-N 2 1 349.563 3.243 20 0 EGADMP CC/C=C\CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001753359545 1440382143 /nfs/dbraw/zinc/38/21/43/1440382143.db2.gz JPXZZLLXDINRFC-RURPWVQCSA-N 2 1 349.563 3.243 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001753368095 1440386548 /nfs/dbraw/zinc/38/65/48/1440386548.db2.gz YILLPODVZSVFOW-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001753458756 1440409435 /nfs/dbraw/zinc/40/94/35/1440409435.db2.gz KBEIZIUKLLVIML-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H](N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001753458756 1440409436 /nfs/dbraw/zinc/40/94/36/1440409436.db2.gz KBEIZIUKLLVIML-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H](N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001753458756 1440409437 /nfs/dbraw/zinc/40/94/37/1440409437.db2.gz KBEIZIUKLLVIML-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CC(C)CCC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001753523338 1440428979 /nfs/dbraw/zinc/42/89/79/1440428979.db2.gz HSWYUGMWMCFEDY-ABSDTBQOSA-N 2 1 337.552 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC2(CC[NH+](CC3CCCC3)C2)CC1 ZINC001753603351 1440447280 /nfs/dbraw/zinc/44/72/80/1440447280.db2.gz WDUZKWXEFGRJLY-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC2(CC[N@H+](CC3CCCC3)C2)CC1 ZINC001753603351 1440447281 /nfs/dbraw/zinc/44/72/81/1440447281.db2.gz WDUZKWXEFGRJLY-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC2(CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001753603351 1440447282 /nfs/dbraw/zinc/44/72/82/1440447282.db2.gz WDUZKWXEFGRJLY-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001753605040 1440447802 /nfs/dbraw/zinc/44/78/02/1440447802.db2.gz VPBGSOHVHCUSMD-LJQANCHMSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)CCC[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001753673994 1440462951 /nfs/dbraw/zinc/46/29/51/1440462951.db2.gz ICLRXMXAJXHULO-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C)cc1C ZINC001753695591 1440467418 /nfs/dbraw/zinc/46/74/18/1440467418.db2.gz SURIIWRJYZDITE-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001753708476 1440470032 /nfs/dbraw/zinc/47/00/32/1440470032.db2.gz GXWWRXKMODQBRS-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CCCCC1 ZINC001753749545 1440482096 /nfs/dbraw/zinc/48/20/96/1440482096.db2.gz LZLLEKBJHXQXFS-WOJBJXKFSA-N 2 1 345.531 3.352 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C[NH2+]CC1CC(C)C1)C1CCCCC1 ZINC001753749836 1440482279 /nfs/dbraw/zinc/48/22/79/1440482279.db2.gz RFHRLXCMLJISMK-FAFZWHIHSA-N 2 1 337.552 3.027 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccc1C ZINC001753787300 1440488381 /nfs/dbraw/zinc/48/83/81/1440488381.db2.gz DDMOAACYBNCTMA-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@H]21 ZINC001753878144 1440520014 /nfs/dbraw/zinc/52/00/14/1440520014.db2.gz NXPIQTGCCRMUTG-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC1=CCCCC1 ZINC001754007380 1440530964 /nfs/dbraw/zinc/53/09/64/1440530964.db2.gz LQPWRQILPBFXRW-IEBWSBKVSA-N 2 1 335.536 3.234 20 0 EGADMP CCN(CC[NH2+]CCCC(C)(C)C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001754067219 1440537706 /nfs/dbraw/zinc/53/77/06/1440537706.db2.gz OBUHBSQQGFZREV-QGZVFWFLSA-N 2 1 348.535 3.018 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1cc(C)ccc1C)C(=O)Cn1cc[nH+]c1C ZINC001754082156 1440539653 /nfs/dbraw/zinc/53/96/53/1440539653.db2.gz RHKMNFVALCDTHF-KRWDZBQOSA-N 2 1 342.487 3.008 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC1=CCCCC1 ZINC001754314060 1440574626 /nfs/dbraw/zinc/57/46/26/1440574626.db2.gz JRQRNFNFAZJIIO-IEBWSBKVSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CC1=CCCCC1 ZINC001754314060 1440574627 /nfs/dbraw/zinc/57/46/27/1440574627.db2.gz JRQRNFNFAZJIIO-IEBWSBKVSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1=CCCCC1 ZINC001754314060 1440574628 /nfs/dbraw/zinc/57/46/28/1440574628.db2.gz JRQRNFNFAZJIIO-IEBWSBKVSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001754374280 1440592825 /nfs/dbraw/zinc/59/28/25/1440592825.db2.gz YXZMFKXEOIDOAP-AZUAARDMSA-N 2 1 345.531 3.369 20 0 EGADMP CC(C)(C(=O)NC[C@H]1CC[N@H+]1CC1CCC(C)(C)CC1)[NH+]1CCCC1 ZINC001754490927 1440610162 /nfs/dbraw/zinc/61/01/62/1440610162.db2.gz YRNJVEFCDDUOIY-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001754534774 1440623781 /nfs/dbraw/zinc/62/37/81/1440623781.db2.gz BAXPPRHNVKCGAT-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001754534774 1440623782 /nfs/dbraw/zinc/62/37/82/1440623782.db2.gz BAXPPRHNVKCGAT-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001754534774 1440623783 /nfs/dbraw/zinc/62/37/83/1440623783.db2.gz BAXPPRHNVKCGAT-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001754539757 1440625834 /nfs/dbraw/zinc/62/58/34/1440625834.db2.gz VANMJIYDCSQHAP-RLWBPELLSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001754539757 1440625835 /nfs/dbraw/zinc/62/58/35/1440625835.db2.gz VANMJIYDCSQHAP-RLWBPELLSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001754539757 1440625836 /nfs/dbraw/zinc/62/58/36/1440625836.db2.gz VANMJIYDCSQHAP-RLWBPELLSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001754557701 1440632291 /nfs/dbraw/zinc/63/22/91/1440632291.db2.gz LIYFJQRTDLDIJI-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)C[C@H]1C ZINC001754604875 1440643018 /nfs/dbraw/zinc/64/30/18/1440643018.db2.gz SHFNNYYHXSTOBE-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCC2CCCCC2)C2CCCC2)C1 ZINC001754656897 1440653810 /nfs/dbraw/zinc/65/38/10/1440653810.db2.gz WRGRFKUJNIJVOO-UXHICEINSA-N 2 1 349.563 3.173 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)C ZINC001754661077 1440654899 /nfs/dbraw/zinc/65/48/99/1440654899.db2.gz WAHSDYBZLVUHCZ-AABGKKOBSA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)C ZINC001754661077 1440654900 /nfs/dbraw/zinc/65/49/00/1440654900.db2.gz WAHSDYBZLVUHCZ-AABGKKOBSA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)C ZINC001754661077 1440654901 /nfs/dbraw/zinc/65/49/01/1440654901.db2.gz WAHSDYBZLVUHCZ-AABGKKOBSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001754682796 1440663335 /nfs/dbraw/zinc/66/33/35/1440663335.db2.gz FHNVSFVNSYCLOZ-OXJNMPFZSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001754682796 1440663336 /nfs/dbraw/zinc/66/33/36/1440663336.db2.gz FHNVSFVNSYCLOZ-OXJNMPFZSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC001754682796 1440663337 /nfs/dbraw/zinc/66/33/37/1440663337.db2.gz FHNVSFVNSYCLOZ-OXJNMPFZSA-N 2 1 349.494 3.199 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001754730792 1440679136 /nfs/dbraw/zinc/67/91/36/1440679136.db2.gz YXXVWMYYBGWLFW-NGXITPROSA-N 2 1 349.563 3.293 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CCC1=CCCCC1)C2 ZINC001754782821 1440686720 /nfs/dbraw/zinc/68/67/20/1440686720.db2.gz HLVHVLVKQYVRQI-ZCNNSNEGSA-N 2 1 347.547 3.188 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1=CCCCC1)C2 ZINC001754782821 1440686721 /nfs/dbraw/zinc/68/67/21/1440686721.db2.gz HLVHVLVKQYVRQI-ZCNNSNEGSA-N 2 1 347.547 3.188 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1=CCCCC1)C2 ZINC001754782821 1440686722 /nfs/dbraw/zinc/68/67/22/1440686722.db2.gz HLVHVLVKQYVRQI-ZCNNSNEGSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)[NH+]1CCCCCC1 ZINC001754830979 1440695145 /nfs/dbraw/zinc/69/51/45/1440695145.db2.gz KLIOVZXTQULVJJ-FFGOWVMKSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001754837658 1440697125 /nfs/dbraw/zinc/69/71/25/1440697125.db2.gz QHJIPEKBVBNIIH-FQEVSTJZSA-N 2 1 343.515 3.055 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001754870989 1440705037 /nfs/dbraw/zinc/70/50/37/1440705037.db2.gz FQVRPNXBRCIHJE-OBNUAKFSSA-N 2 1 344.503 3.003 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001754870989 1440705038 /nfs/dbraw/zinc/70/50/38/1440705038.db2.gz FQVRPNXBRCIHJE-OBNUAKFSSA-N 2 1 344.503 3.003 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001754945014 1440712530 /nfs/dbraw/zinc/71/25/30/1440712530.db2.gz PKQLTRDHPLGWQZ-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC001754980369 1440721115 /nfs/dbraw/zinc/72/11/15/1440721115.db2.gz AAPVQOQYWZONLH-MSOLQXFVSA-N 2 1 349.563 3.316 20 0 EGADMP C=C/C(C)=C\CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](C(C)C)CC1 ZINC001755047408 1440741991 /nfs/dbraw/zinc/74/19/91/1440741991.db2.gz NDIKCZMDMPEFOY-FWMCSXDOSA-N 2 1 345.531 3.057 20 0 EGADMP C=C/C(C)=C\CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](C(C)C)CC1 ZINC001755047408 1440741992 /nfs/dbraw/zinc/74/19/92/1440741992.db2.gz NDIKCZMDMPEFOY-FWMCSXDOSA-N 2 1 345.531 3.057 20 0 EGADMP CCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001755078101 1440749913 /nfs/dbraw/zinc/74/99/13/1440749913.db2.gz IQQSAISYTOZCRR-FQEVSTJZSA-N 2 1 347.547 3.120 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CC2CCCCC2)CC1(C)C)C1CCC1 ZINC001755137708 1440758993 /nfs/dbraw/zinc/75/89/93/1440758993.db2.gz CMPRBOPXDGPWMH-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)CC1(C)C)C1CCC1 ZINC001755137708 1440758994 /nfs/dbraw/zinc/75/89/94/1440758994.db2.gz CMPRBOPXDGPWMH-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)CC1(C)C)C1CCC1 ZINC001755137708 1440758995 /nfs/dbraw/zinc/75/89/95/1440758995.db2.gz CMPRBOPXDGPWMH-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001755161832 1440765029 /nfs/dbraw/zinc/76/50/29/1440765029.db2.gz NDXYWWFWAKXQLE-QZTJIDSGSA-N 2 1 335.536 3.164 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CCC(C)(C)C)[NH+](CC)CC ZINC001755198804 1440778380 /nfs/dbraw/zinc/77/83/80/1440778380.db2.gz HRLNKTHADZVLJB-ROUUACIJSA-N 2 1 339.568 3.466 20 0 EGADMP CC[C@@H](C)C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCCC1 ZINC001755354360 1440828894 /nfs/dbraw/zinc/82/88/94/1440828894.db2.gz KOQLSSAWKUMXDY-QGZVFWFLSA-N 2 1 348.535 3.461 20 0 EGADMP CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001755379971 1440839137 /nfs/dbraw/zinc/83/91/37/1440839137.db2.gz WRHCVDPLXHAJLY-PXNSSMCTSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC001755411311 1440846667 /nfs/dbraw/zinc/84/66/67/1440846667.db2.gz BNDLRZIHNVCJKI-RTBURBONSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC001755411311 1440846668 /nfs/dbraw/zinc/84/66/68/1440846668.db2.gz BNDLRZIHNVCJKI-RTBURBONSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC001755411311 1440846669 /nfs/dbraw/zinc/84/66/69/1440846669.db2.gz BNDLRZIHNVCJKI-RTBURBONSA-N 2 1 349.563 3.410 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001755413230 1440847219 /nfs/dbraw/zinc/84/72/19/1440847219.db2.gz VMWKNUGTCPPGCR-PXEQJPNCSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001755413230 1440847220 /nfs/dbraw/zinc/84/72/20/1440847220.db2.gz VMWKNUGTCPPGCR-PXEQJPNCSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001755413230 1440847221 /nfs/dbraw/zinc/84/72/21/1440847221.db2.gz VMWKNUGTCPPGCR-PXEQJPNCSA-N 2 1 349.563 3.434 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC001755413211 1440847400 /nfs/dbraw/zinc/84/74/00/1440847400.db2.gz VGUXTLGCWVFQCX-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC001755413211 1440847401 /nfs/dbraw/zinc/84/74/01/1440847401.db2.gz VGUXTLGCWVFQCX-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC001755413211 1440847402 /nfs/dbraw/zinc/84/74/02/1440847402.db2.gz VGUXTLGCWVFQCX-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001755458455 1440856571 /nfs/dbraw/zinc/85/65/71/1440856571.db2.gz HGLXVPNPGIGLDJ-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001755480929 1440860133 /nfs/dbraw/zinc/86/01/33/1440860133.db2.gz ROMKBACYSDIPSM-DSBJASEKSA-N 2 1 347.547 3.234 20 0 EGADMP C[C@H](CCC[NH2+]C/C=C\c1ccccc1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001755507643 1440863150 /nfs/dbraw/zinc/86/31/50/1440863150.db2.gz UFUILNMMLVFCLQ-QSTIEPAZSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001755513726 1440863851 /nfs/dbraw/zinc/86/38/51/1440863851.db2.gz UCVCGEVXGOMJJB-PKOBYXMFSA-N 2 1 337.552 3.314 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001755519631 1440864896 /nfs/dbraw/zinc/86/48/96/1440864896.db2.gz BHRQAPBQPUZDDQ-RBUKOAKNSA-N 2 1 345.531 3.020 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001755536574 1440869827 /nfs/dbraw/zinc/86/98/27/1440869827.db2.gz YWDGISWHBDWMMN-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC2CCCC2)CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001755685931 1440895945 /nfs/dbraw/zinc/89/59/45/1440895945.db2.gz CWWWTLZRIJVCCA-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C(=O)N[C@]12CCC[C@@H]1[N@@H+](CCC1CCCC1)CC2)[NH+](C)C ZINC001755699515 1440899263 /nfs/dbraw/zinc/89/92/63/1440899263.db2.gz BYWJXQMBVCBBFU-BJLQDIEVSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001755717840 1440905783 /nfs/dbraw/zinc/90/57/83/1440905783.db2.gz JPIZYCPILHQGDS-RTBURBONSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)[C@H]1C ZINC001755722255 1440907921 /nfs/dbraw/zinc/90/79/21/1440907921.db2.gz HEUMSDAVQLYRJT-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)[C@H]1C ZINC001755722255 1440907922 /nfs/dbraw/zinc/90/79/22/1440907922.db2.gz HEUMSDAVQLYRJT-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)[C@H]1C ZINC001755722255 1440907923 /nfs/dbraw/zinc/90/79/23/1440907923.db2.gz HEUMSDAVQLYRJT-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001755723487 1440908686 /nfs/dbraw/zinc/90/86/86/1440908686.db2.gz PWWOVJFJYGQJQI-UYAOXDASSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001755723487 1440908687 /nfs/dbraw/zinc/90/86/87/1440908687.db2.gz PWWOVJFJYGQJQI-UYAOXDASSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001755723487 1440908688 /nfs/dbraw/zinc/90/86/88/1440908688.db2.gz PWWOVJFJYGQJQI-UYAOXDASSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001755723487 1440908689 /nfs/dbraw/zinc/90/86/89/1440908689.db2.gz PWWOVJFJYGQJQI-UYAOXDASSA-N 2 1 345.531 3.134 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1(C)C ZINC001755766545 1440916367 /nfs/dbraw/zinc/91/63/67/1440916367.db2.gz MHNXGXHNGCJPKO-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH2+]C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(C)(C)C ZINC001755827516 1440927747 /nfs/dbraw/zinc/92/77/47/1440927747.db2.gz NGRGNPFZHIZJRF-MRXNPFEDSA-N 2 1 325.541 3.170 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001755894401 1440942349 /nfs/dbraw/zinc/94/23/49/1440942349.db2.gz RIBRHSVBRPKZSN-ZWKOTPCHSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@@H](C(=O)NCC1=CC[N@@H+](CCC(C)(C)C)CC1)[NH+]1CCCCCC1 ZINC001755894200 1440942353 /nfs/dbraw/zinc/94/23/53/1440942353.db2.gz PAFYOIVGQKEOPI-SFHVURJKSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001755894978 1440942520 /nfs/dbraw/zinc/94/25/20/1440942520.db2.gz RKXWBLUNMVIFGZ-FPLPWBNLSA-N 2 1 335.536 3.069 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001755894978 1440942521 /nfs/dbraw/zinc/94/25/21/1440942521.db2.gz RKXWBLUNMVIFGZ-FPLPWBNLSA-N 2 1 335.536 3.069 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001755894978 1440942522 /nfs/dbraw/zinc/94/25/22/1440942522.db2.gz RKXWBLUNMVIFGZ-FPLPWBNLSA-N 2 1 335.536 3.069 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cccc(-c2nn[nH]n2)c1 ZINC000824584773 946831178 /nfs/dbraw/zinc/83/11/78/946831178.db2.gz HAPFTPWIMHLASH-HOTGVXAUSA-N 2 1 342.491 3.172 20 0 EGADMP Fc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OCC(F)(F)F ZINC000368316034 168341449 /nfs/dbraw/zinc/34/14/49/168341449.db2.gz DTZRLBYXSOURPJ-ZIAGYGMSSA-N 2 1 346.368 3.483 20 0 EGADMP Fc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OCC(F)(F)F ZINC000368316034 168341453 /nfs/dbraw/zinc/34/14/53/168341453.db2.gz DTZRLBYXSOURPJ-ZIAGYGMSSA-N 2 1 346.368 3.483 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1ccc(CO)o1 ZINC000174272129 231163140 /nfs/dbraw/zinc/16/31/40/231163140.db2.gz SAUMXXOBWJFKFL-MRXNPFEDSA-N 2 1 328.456 3.436 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(CO)o1 ZINC000174272129 231163143 /nfs/dbraw/zinc/16/31/43/231163143.db2.gz SAUMXXOBWJFKFL-MRXNPFEDSA-N 2 1 328.456 3.436 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(CO)o1 ZINC000174272129 231163147 /nfs/dbraw/zinc/16/31/47/231163147.db2.gz SAUMXXOBWJFKFL-MRXNPFEDSA-N 2 1 328.456 3.436 20 0 EGADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cc(F)ccc1F ZINC000154472524 529596528 /nfs/dbraw/zinc/59/65/28/529596528.db2.gz VEEGQACMKRTZCZ-IBGZPJMESA-N 2 1 339.474 3.423 20 0 EGADMP CCc1ccc(NC(=O)[C@H](C)[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130656453 529685638 /nfs/dbraw/zinc/68/56/38/529685638.db2.gz BXQYVQYMVGUYKW-HNNXBMFYSA-N 2 1 328.460 3.103 20 0 EGADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130656453 529685639 /nfs/dbraw/zinc/68/56/39/529685639.db2.gz BXQYVQYMVGUYKW-HNNXBMFYSA-N 2 1 328.460 3.103 20 0 EGADMP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000178118905 232088554 /nfs/dbraw/zinc/08/85/54/232088554.db2.gz OMMCEXLJJLNFGR-KRWDZBQOSA-N 2 1 329.488 3.341 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179637513 233259746 /nfs/dbraw/zinc/25/97/46/233259746.db2.gz DTNWNJFMKBZBSE-MRXNPFEDSA-N 2 1 330.451 3.012 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179637513 233259752 /nfs/dbraw/zinc/25/97/52/233259752.db2.gz DTNWNJFMKBZBSE-MRXNPFEDSA-N 2 1 330.451 3.012 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000069160340 215365721 /nfs/dbraw/zinc/36/57/21/215365721.db2.gz FIEQWHDZJIWYLG-SFHVURJKSA-N 2 1 339.483 3.482 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000069160340 215365725 /nfs/dbraw/zinc/36/57/25/215365725.db2.gz FIEQWHDZJIWYLG-SFHVURJKSA-N 2 1 339.483 3.482 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2CNc2cc[nH+]c3ccccc23)C1 ZINC000181142247 234095260 /nfs/dbraw/zinc/09/52/60/234095260.db2.gz YGOPYHMXZNPWDI-SFHVURJKSA-N 2 1 333.435 3.414 20 0 EGADMP OC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCCCC1 ZINC000127794351 222882444 /nfs/dbraw/zinc/88/24/44/222882444.db2.gz MGQXAIDCMDWNIF-UHFFFAOYSA-N 2 1 330.516 3.368 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CO)Cc2ccccc2)cc1 ZINC000130382989 223148464 /nfs/dbraw/zinc/14/84/64/223148464.db2.gz UTOXCPGULZNGSV-JXFKEZNVSA-N 2 1 335.451 3.435 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000072860585 216321482 /nfs/dbraw/zinc/32/14/82/216321482.db2.gz YGNWHAPFIJVKNL-LJQANCHMSA-N 2 1 339.483 3.434 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000072860585 216321485 /nfs/dbraw/zinc/32/14/85/216321485.db2.gz YGNWHAPFIJVKNL-LJQANCHMSA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000072860585 216321488 /nfs/dbraw/zinc/32/14/88/216321488.db2.gz YGNWHAPFIJVKNL-LJQANCHMSA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000072860585 216321492 /nfs/dbraw/zinc/32/14/92/216321492.db2.gz YGNWHAPFIJVKNL-LJQANCHMSA-N 2 1 339.483 3.434 20 0 EGADMP CCOc1c(OC)cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000236863643 242386168 /nfs/dbraw/zinc/38/61/68/242386168.db2.gz FSELEEGHYVKJEO-AWEZNQCLSA-N 2 1 347.459 3.033 20 0 EGADMP CCC[C@](C)([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000262680020 245114711 /nfs/dbraw/zinc/11/47/11/245114711.db2.gz WHIHPTXPCJCGKT-HQRMLTQVSA-N 2 1 331.504 3.015 20 0 EGADMP CCC[N@@H+](Cc1ccc(OC)c(Br)c1)C1CC[NH2+]CC1 ZINC000049597515 214021850 /nfs/dbraw/zinc/02/18/50/214021850.db2.gz NVYWRPGKYFQGBM-UHFFFAOYSA-N 2 1 341.293 3.422 20 0 EGADMP C[C@H](CCc1cccc(F)c1)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377631847 169051440 /nfs/dbraw/zinc/05/14/40/169051440.db2.gz RRSBHEHUPQVXSN-DYESRHJHSA-N 2 1 347.522 3.247 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(-c2ccccc2)no1 ZINC000378251435 169092063 /nfs/dbraw/zinc/09/20/63/169092063.db2.gz WNWLILHJXVBYNG-LSTHTHJFSA-N 2 1 341.455 3.025 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(-c2ccccc2)no1 ZINC000378251435 169092064 /nfs/dbraw/zinc/09/20/64/169092064.db2.gz WNWLILHJXVBYNG-LSTHTHJFSA-N 2 1 341.455 3.025 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1)C(C)C ZINC000378402969 169114846 /nfs/dbraw/zinc/11/48/46/169114846.db2.gz MLRLVMWXDHZSLW-UHFFFAOYSA-N 2 1 343.515 3.133 20 0 EGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(OC(F)F)c(F)c3)CC[C@@H]21 ZINC000092043111 218108993 /nfs/dbraw/zinc/10/89/93/218108993.db2.gz BHJWBZMKSZWKDU-ZFWWWQNUSA-N 2 1 328.378 3.343 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(OC(F)F)c(F)c3)CC[C@@H]21 ZINC000092043111 218108994 /nfs/dbraw/zinc/10/89/94/218108994.db2.gz BHJWBZMKSZWKDU-ZFWWWQNUSA-N 2 1 328.378 3.343 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(OC(F)F)c(F)c3)CC[C@@H]21 ZINC000092043111 218108996 /nfs/dbraw/zinc/10/89/96/218108996.db2.gz BHJWBZMKSZWKDU-ZFWWWQNUSA-N 2 1 328.378 3.343 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(OC(F)F)c(F)c3)CC[C@@H]21 ZINC000092043111 218108999 /nfs/dbraw/zinc/10/89/99/218108999.db2.gz BHJWBZMKSZWKDU-ZFWWWQNUSA-N 2 1 328.378 3.343 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC(F)F ZINC000092043372 218109519 /nfs/dbraw/zinc/10/95/19/218109519.db2.gz GXPXJOXKNUFHKT-GJZGRUSLSA-N 2 1 340.414 3.213 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC(F)F ZINC000092043372 218109521 /nfs/dbraw/zinc/10/95/21/218109521.db2.gz GXPXJOXKNUFHKT-GJZGRUSLSA-N 2 1 340.414 3.213 20 0 EGADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC(F)F ZINC000092043372 218109522 /nfs/dbraw/zinc/10/95/22/218109522.db2.gz GXPXJOXKNUFHKT-GJZGRUSLSA-N 2 1 340.414 3.213 20 0 EGADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC(F)F ZINC000092043372 218109524 /nfs/dbraw/zinc/10/95/24/218109524.db2.gz GXPXJOXKNUFHKT-GJZGRUSLSA-N 2 1 340.414 3.213 20 0 EGADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cc(C)ccc1OC ZINC000093397609 218220501 /nfs/dbraw/zinc/22/05/01/218220501.db2.gz DCWRJVRQOOBEJJ-FQEVSTJZSA-N 2 1 347.547 3.462 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597354 218233850 /nfs/dbraw/zinc/23/38/50/218233850.db2.gz UTIQALBFMPGPLU-LJQANCHMSA-N 2 1 338.499 3.407 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597354 218233853 /nfs/dbraw/zinc/23/38/53/218233853.db2.gz UTIQALBFMPGPLU-LJQANCHMSA-N 2 1 338.499 3.407 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCCOC[C@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000268716844 252167609 /nfs/dbraw/zinc/16/76/09/252167609.db2.gz GVIREWVICGHXHK-HMXCVIKNSA-N 2 1 346.515 3.215 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCCOC[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000268716844 252167612 /nfs/dbraw/zinc/16/76/12/252167612.db2.gz GVIREWVICGHXHK-HMXCVIKNSA-N 2 1 346.515 3.215 20 0 EGADMP Oc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000268818238 252269356 /nfs/dbraw/zinc/26/93/56/252269356.db2.gz IZXQCXZYTXWWOJ-UHFFFAOYSA-N 2 1 328.431 3.328 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000268811938 252264115 /nfs/dbraw/zinc/26/41/15/252264115.db2.gz MGIBJDPBGHHFPN-UHFFFAOYSA-N 2 1 332.879 3.099 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(SC(F)F)cc1 ZINC000268847651 252296170 /nfs/dbraw/zinc/29/61/70/252296170.db2.gz OWGIAIZWAWMWNE-JSGCOSHPSA-N 2 1 330.444 3.109 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(SC(F)F)cc1 ZINC000268846310 252294094 /nfs/dbraw/zinc/29/40/94/252294094.db2.gz OWGIAIZWAWMWNE-GXTWGEPZSA-N 2 1 330.444 3.109 20 0 EGADMP Brc1cccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000246084633 532968681 /nfs/dbraw/zinc/96/86/81/532968681.db2.gz ZDNMXYXVBBIIKN-GJZGRUSLSA-N 2 1 339.277 3.044 20 0 EGADMP CCCn1cc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350561664 141253662 /nfs/dbraw/zinc/25/36/62/141253662.db2.gz YHLHETCMOMUYOB-RTWAWAEBSA-N 2 1 340.515 3.465 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc2c1OCO2 ZINC000353437808 141295645 /nfs/dbraw/zinc/29/56/45/141295645.db2.gz DXDKVDQFOWDVGS-UHFFFAOYSA-N 2 1 326.440 3.499 20 0 EGADMP Cc1nccn1CCC[N@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356299028 141338417 /nfs/dbraw/zinc/33/84/17/141338417.db2.gz JRPYZRAAXVMSJC-UHFFFAOYSA-N 2 1 327.350 3.438 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356299028 141338419 /nfs/dbraw/zinc/33/84/19/141338419.db2.gz JRPYZRAAXVMSJC-UHFFFAOYSA-N 2 1 327.350 3.438 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NCC1([NH+](C)C)CCCCC1 ZINC000359592614 141381212 /nfs/dbraw/zinc/38/12/12/141381212.db2.gz NZZLYGDFALFPOE-QUCCMNQESA-N 2 1 344.547 3.146 20 0 EGADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000365457512 304319287 /nfs/dbraw/zinc/31/92/87/304319287.db2.gz CMIQNIMDVFJIBX-QUCCMNQESA-N 2 1 347.547 3.118 20 0 EGADMP COc1cc[nH+]c(N2CCN([C@@H](C)c3ccc(F)c(F)c3)CC2)c1 ZINC000171613267 144007332 /nfs/dbraw/zinc/00/73/32/144007332.db2.gz UPPKGVNCROISBW-ZDUSSCGKSA-N 2 1 333.382 3.252 20 0 EGADMP C[C@@H](NCCC[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000178409885 144070942 /nfs/dbraw/zinc/07/09/42/144070942.db2.gz QMZZFEPNIRHQFN-GOSISDBHSA-N 2 1 333.520 3.154 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000178701252 144075148 /nfs/dbraw/zinc/07/51/48/144075148.db2.gz OQJYKTFEIDYEPH-SQGPQFPESA-N 3 1 332.536 3.460 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H]3C[C@H](OC(C)C)C3(C)C)CC2)nc(C)[nH+]1 ZINC000185235340 144108285 /nfs/dbraw/zinc/10/82/85/144108285.db2.gz IUJWVWJXYQDTFH-MSOLQXFVSA-N 2 1 346.519 3.244 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(CC[NH+](C)C)C(C)C)cc1 ZINC000344791062 144224826 /nfs/dbraw/zinc/22/48/26/144224826.db2.gz QFJDODAKNYFHDU-UHFFFAOYSA-N 2 1 333.520 3.331 20 0 EGADMP CCCN(CC[NH+](C)C)C(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000344873408 144234836 /nfs/dbraw/zinc/23/48/36/144234836.db2.gz NUBNAZFNMUAALF-UHFFFAOYSA-N 2 1 331.504 3.085 20 0 EGADMP CN(C[C@@H](O)C[N@@H+](CCc1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000351480234 144267198 /nfs/dbraw/zinc/26/71/98/144267198.db2.gz UWPNQMATTVDTLL-HXUWFJFHSA-N 2 1 334.479 3.068 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH+](CCc1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000351480234 144267199 /nfs/dbraw/zinc/26/71/99/144267199.db2.gz UWPNQMATTVDTLL-HXUWFJFHSA-N 2 1 334.479 3.068 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH+](CCc1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000351480234 144267200 /nfs/dbraw/zinc/26/72/00/144267200.db2.gz UWPNQMATTVDTLL-HXUWFJFHSA-N 2 1 334.479 3.068 20 0 EGADMP C[NH+](C[C@@H](O)C[N@H+](CCc1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000351480234 144267201 /nfs/dbraw/zinc/26/72/01/144267201.db2.gz UWPNQMATTVDTLL-HXUWFJFHSA-N 2 1 334.479 3.068 20 0 EGADMP C[NH+](C[C@@H](O)C[N@@H+](CCc1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000351480234 144267202 /nfs/dbraw/zinc/26/72/02/144267202.db2.gz UWPNQMATTVDTLL-HXUWFJFHSA-N 2 1 334.479 3.068 20 0 EGADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCCc2[nH+]ccn21 ZINC000351497998 144270283 /nfs/dbraw/zinc/27/02/83/144270283.db2.gz IJVDSOIFZHEAHF-KRWDZBQOSA-N 2 1 344.503 3.066 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C2CCSCC2)[C@H](C)C1 ZINC000250079207 286064363 /nfs/dbraw/zinc/06/43/63/286064363.db2.gz OXNASVFSKLZPHF-NUJGCVRESA-N 2 1 328.566 3.245 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)[C@H](C)C1 ZINC000115628596 152023219 /nfs/dbraw/zinc/02/32/19/152023219.db2.gz VIBQFZRPCDNRIF-APWZRJJASA-N 2 1 329.488 3.395 20 0 EGADMP Cc1ccn2c(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cnc2c1 ZINC000192929132 153268828 /nfs/dbraw/zinc/26/88/28/153268828.db2.gz GRIVGSZJXOPCII-IBGZPJMESA-N 2 1 334.467 3.254 20 0 EGADMP COc1ccc(C[C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000193058589 153274149 /nfs/dbraw/zinc/27/41/49/153274149.db2.gz QJVFXEGORNQYQB-CCNLRDMRSA-N 2 1 332.488 3.097 20 0 EGADMP CC[C@H](CNC(=[NH2+])N1CCC(C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000341639866 155396701 /nfs/dbraw/zinc/39/67/01/155396701.db2.gz SZHWNWSUGBTXAT-LJQANCHMSA-N 2 1 328.504 3.080 20 0 EGADMP CC[C@H](CNC(=[NH2+])N1CCC(C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000341639866 155396704 /nfs/dbraw/zinc/39/67/04/155396704.db2.gz SZHWNWSUGBTXAT-LJQANCHMSA-N 2 1 328.504 3.080 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC000303226686 154040238 /nfs/dbraw/zinc/04/02/38/154040238.db2.gz PMLGAZSREZUJPU-FXAWDEMLSA-N 2 1 334.479 3.303 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC000303226686 154040242 /nfs/dbraw/zinc/04/02/42/154040242.db2.gz PMLGAZSREZUJPU-FXAWDEMLSA-N 2 1 334.479 3.303 20 0 EGADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000310097544 154138573 /nfs/dbraw/zinc/13/85/73/154138573.db2.gz AGWFLFYAZXMKCP-LPHOPBHVSA-N 2 1 325.456 3.090 20 0 EGADMP COC1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000336667917 154208945 /nfs/dbraw/zinc/20/89/45/154208945.db2.gz ACXCCXAHNFLXOE-BEQLGVGBSA-N 2 1 328.500 3.444 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000337417145 154343321 /nfs/dbraw/zinc/34/33/21/154343321.db2.gz ZXANXKQNPASNBX-HOCLYGCPSA-N 2 1 345.487 3.374 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2ccc(F)c(Cl)c2)CC1 ZINC000337461325 154364220 /nfs/dbraw/zinc/36/42/20/154364220.db2.gz KKGKEGSZCWFBKE-UHFFFAOYSA-N 2 1 341.902 3.327 20 0 EGADMP COc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346820473 156150733 /nfs/dbraw/zinc/15/07/33/156150733.db2.gz HUYDEOYAEGQKPA-CQDKDKBSSA-N 2 1 339.277 3.017 20 0 EGADMP COc1cc(Br)ccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346820473 156150740 /nfs/dbraw/zinc/15/07/40/156150740.db2.gz HUYDEOYAEGQKPA-CQDKDKBSSA-N 2 1 339.277 3.017 20 0 EGADMP FC(F)(F)c1csc([C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000347003445 156240511 /nfs/dbraw/zinc/24/05/11/156240511.db2.gz LKTFJZLBROOQLH-VXGBXAGGSA-N 2 1 333.423 3.341 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347016746 156249583 /nfs/dbraw/zinc/24/95/83/156249583.db2.gz KBYIFKLLAANZFV-CZUORRHYSA-N 2 1 330.451 3.187 20 0 EGADMP Cc1ccc(F)cc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000352609549 156379456 /nfs/dbraw/zinc/37/94/56/156379456.db2.gz UQLLFELAEDNGFD-UHFFFAOYSA-N 2 1 333.495 3.125 20 0 EGADMP Cc1ccc(N2CCC([NH2+][C@H](C)Cc3ccc(O)cc3)CC2)[nH+]c1 ZINC000352614861 156380869 /nfs/dbraw/zinc/38/08/69/156380869.db2.gz DSAQNEHDTQIDLN-MRXNPFEDSA-N 2 1 325.456 3.285 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000093753113 162025315 /nfs/dbraw/zinc/02/53/15/162025315.db2.gz HOWFJTRSIJSVTI-INIZCTEOSA-N 2 1 342.487 3.249 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000093753113 162025317 /nfs/dbraw/zinc/02/53/17/162025317.db2.gz HOWFJTRSIJSVTI-INIZCTEOSA-N 2 1 342.487 3.249 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000093753113 162025319 /nfs/dbraw/zinc/02/53/19/162025319.db2.gz HOWFJTRSIJSVTI-INIZCTEOSA-N 2 1 342.487 3.249 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000093753113 162025322 /nfs/dbraw/zinc/02/53/22/162025322.db2.gz HOWFJTRSIJSVTI-INIZCTEOSA-N 2 1 342.487 3.249 20 0 EGADMP Cc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114455452 162233879 /nfs/dbraw/zinc/23/38/79/162233879.db2.gz GHQAAAVWBHZIRA-FQEVSTJZSA-N 2 1 343.515 3.121 20 0 EGADMP COc1ccc(OCCC[N@H+]2C[C@@H](C[NH3+])[C@@H](c3ccccc3)C2)cc1 ZINC000337074976 163121796 /nfs/dbraw/zinc/12/17/96/163121796.db2.gz PSQBGSXEXNVUGJ-WIYYLYMNSA-N 2 1 340.467 3.138 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c(Cl)cccc2OC)C1 ZINC000338314349 163209440 /nfs/dbraw/zinc/20/94/40/163209440.db2.gz IVJXTYGRASUUDE-HNNXBMFYSA-N 2 1 340.895 3.281 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(Cl)cccc2OC)C1 ZINC000338314349 163209446 /nfs/dbraw/zinc/20/94/46/163209446.db2.gz IVJXTYGRASUUDE-HNNXBMFYSA-N 2 1 340.895 3.281 20 0 EGADMP COc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc(Cl)c1OC ZINC000340430005 163577935 /nfs/dbraw/zinc/57/79/35/163577935.db2.gz ZYCYURZSRVDRAF-UHFFFAOYSA-N 2 1 338.879 3.464 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)[C@@H](C)C1 ZINC000344532577 164187539 /nfs/dbraw/zinc/18/75/39/164187539.db2.gz GBXKUJIHNYOZIC-LAUBAEHRSA-N 2 1 339.483 3.481 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)[C@@H](C)C1 ZINC000344532586 164187822 /nfs/dbraw/zinc/18/78/22/164187822.db2.gz GBXKUJIHNYOZIC-UWJYYQICSA-N 2 1 339.483 3.481 20 0 EGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCO[C@H](C(C)C)C3)CCCC2)CC1 ZINC000346127143 164344462 /nfs/dbraw/zinc/34/44/62/164344462.db2.gz CCPZOPHWOATXPN-MJGOQNOKSA-N 2 1 338.536 3.203 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2c(C)nc3sc(C)nn23)CC1 ZINC000350176005 165015345 /nfs/dbraw/zinc/01/53/45/165015345.db2.gz LGZNZPHMVYQGHI-UHFFFAOYSA-N 2 1 349.548 3.352 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(C)nc3sc(C)nn23)CC1 ZINC000350176005 165015347 /nfs/dbraw/zinc/01/53/47/165015347.db2.gz LGZNZPHMVYQGHI-UHFFFAOYSA-N 2 1 349.548 3.352 20 0 EGADMP CC[C@@H]1C[C@H](C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000350263737 165023607 /nfs/dbraw/zinc/02/36/07/165023607.db2.gz JUUUMNSIOORRJE-UYAOXDASSA-N 2 1 331.504 3.435 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000350331352 165032062 /nfs/dbraw/zinc/03/20/62/165032062.db2.gz QIZGORMAUBKJBN-GJZGRUSLSA-N 2 1 326.431 3.459 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000350331352 165032063 /nfs/dbraw/zinc/03/20/63/165032063.db2.gz QIZGORMAUBKJBN-GJZGRUSLSA-N 2 1 326.431 3.459 20 0 EGADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cn1 ZINC000359249060 167106431 /nfs/dbraw/zinc/10/64/31/167106431.db2.gz UZOIYKMGOZUQEJ-RTBURBONSA-N 2 1 343.446 3.028 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000360239896 167279438 /nfs/dbraw/zinc/27/94/38/167279438.db2.gz COHLGHRAPXFZMA-CZUORRHYSA-N 2 1 331.287 3.491 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000360496690 167341584 /nfs/dbraw/zinc/34/15/84/167341584.db2.gz UVTPFJXGRSTKGX-MRXNPFEDSA-N 2 1 341.499 3.481 20 0 EGADMP COC[C@@H](CC(C)C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000360587947 167364469 /nfs/dbraw/zinc/36/44/69/167364469.db2.gz FXERJOXERPRTHP-FXAWDEMLSA-N 2 1 334.504 3.058 20 0 EGADMP COC[C@@H](CC(C)C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000360587947 167364471 /nfs/dbraw/zinc/36/44/71/167364471.db2.gz FXERJOXERPRTHP-FXAWDEMLSA-N 2 1 334.504 3.058 20 0 EGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000360714990 167394986 /nfs/dbraw/zinc/39/49/86/167394986.db2.gz RTNLWKXHTJYIOL-XHSDSOJGSA-N 2 1 336.549 3.068 20 0 EGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000360714990 167394989 /nfs/dbraw/zinc/39/49/89/167394989.db2.gz RTNLWKXHTJYIOL-XHSDSOJGSA-N 2 1 336.549 3.068 20 0 EGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000360714989 167395331 /nfs/dbraw/zinc/39/53/31/167395331.db2.gz RTNLWKXHTJYIOL-OWCLPIDISA-N 2 1 336.549 3.068 20 0 EGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000360714989 167395334 /nfs/dbraw/zinc/39/53/34/167395334.db2.gz RTNLWKXHTJYIOL-OWCLPIDISA-N 2 1 336.549 3.068 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](C)C3)cc2)CC1 ZINC000360720168 167395950 /nfs/dbraw/zinc/39/59/50/167395950.db2.gz XOVWLMHFMBMOIJ-WIYYLYMNSA-N 2 1 329.532 3.492 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](C)C2)CC1 ZINC000360720236 167396630 /nfs/dbraw/zinc/39/66/30/167396630.db2.gz XZXIECSSQIHKPD-GHTZIAJQSA-N 2 1 329.532 3.492 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)CC1 ZINC000366868558 168150640 /nfs/dbraw/zinc/15/06/40/168150640.db2.gz YPCCPFLDHYXWQM-UHFFFAOYSA-N 2 1 326.444 3.044 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCSC1CCCCC1 ZINC000367042341 168171767 /nfs/dbraw/zinc/17/17/67/168171767.db2.gz GMBNQNIODBOACP-NXHRZFHOSA-N 2 1 326.550 3.236 20 0 EGADMP COC(=O)c1cccc(Cl)c1C[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000367133510 168183568 /nfs/dbraw/zinc/18/35/68/168183568.db2.gz NJSYXGRABMDFSS-ZDUSSCGKSA-N 2 1 347.846 3.240 20 0 EGADMP CCOC1CC(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000368089336 168309277 /nfs/dbraw/zinc/30/92/77/168309277.db2.gz LEIAPHLYMFBSPJ-JWFWCLOMSA-N 2 1 328.500 3.255 20 0 EGADMP CCOC1CC(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000368089336 168309278 /nfs/dbraw/zinc/30/92/78/168309278.db2.gz LEIAPHLYMFBSPJ-JWFWCLOMSA-N 2 1 328.500 3.255 20 0 EGADMP CCOC1CC(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000368089336 168309280 /nfs/dbraw/zinc/30/92/80/168309280.db2.gz LEIAPHLYMFBSPJ-JWFWCLOMSA-N 2 1 328.500 3.255 20 0 EGADMP c1cc(-c2ccccc2)oc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000177778079 265276839 /nfs/dbraw/zinc/27/68/39/265276839.db2.gz SZEWILIOFDOWRU-UHFFFAOYSA-N 2 1 339.483 3.160 20 0 EGADMP CCOc1ccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000179172456 265364962 /nfs/dbraw/zinc/36/49/62/265364962.db2.gz YFTNKZBKDDSFOE-DYESRHJHSA-N 2 1 344.499 3.413 20 0 EGADMP CSc1ccccc1NC(=O)C[N@H+](C)CCCCn1cc[nH+]c1C ZINC000179401348 265374753 /nfs/dbraw/zinc/37/47/53/265374753.db2.gz MUMGGNJZPZCOFT-UHFFFAOYSA-N 2 1 346.500 3.264 20 0 EGADMP CSc1ccccc1NC(=O)C[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000179401348 265374756 /nfs/dbraw/zinc/37/47/56/265374756.db2.gz MUMGGNJZPZCOFT-UHFFFAOYSA-N 2 1 346.500 3.264 20 0 EGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000227260266 266199836 /nfs/dbraw/zinc/19/98/36/266199836.db2.gz UDIWRUBCOMIFME-HZPDHXFCSA-N 2 1 327.513 3.096 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000236709747 266211580 /nfs/dbraw/zinc/21/15/80/266211580.db2.gz QBGDDTVMPHQNTG-OALUTQOASA-N 2 1 337.552 3.255 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270502601 266519703 /nfs/dbraw/zinc/51/97/03/266519703.db2.gz NYUIZAKBQSQEKG-NSHDSACASA-N 2 1 346.302 3.073 20 0 EGADMP COC(=O)c1coc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000273459814 267042349 /nfs/dbraw/zinc/04/23/49/267042349.db2.gz QHJFYPZZERXRLF-UHFFFAOYSA-N 2 1 330.428 3.196 20 0 EGADMP COC(=O)c1coc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000273459814 267042353 /nfs/dbraw/zinc/04/23/53/267042353.db2.gz QHJFYPZZERXRLF-UHFFFAOYSA-N 2 1 330.428 3.196 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000274128111 267185857 /nfs/dbraw/zinc/18/58/57/267185857.db2.gz XZFGQTSWZKNZRN-ROUUACIJSA-N 3 1 340.515 3.328 20 0 EGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000278695458 275266461 /nfs/dbraw/zinc/26/64/61/275266461.db2.gz PLUBIHLETQBTGH-ULQDDVLXSA-N 2 1 345.487 3.021 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](OC)c2ccccc2)[C@@H](C)C1 ZINC000279736217 275354814 /nfs/dbraw/zinc/35/48/14/275354814.db2.gz ODSIRJVUEVFFSM-IZZBFERCSA-N 2 1 348.531 3.489 20 0 EGADMP CCCCOC[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000280043023 275395932 /nfs/dbraw/zinc/39/59/32/275395932.db2.gz OGAOHGHFRYHTRE-OAQYLSRUSA-N 2 1 348.531 3.008 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(C)c1OC ZINC000286331395 275983313 /nfs/dbraw/zinc/98/33/13/275983313.db2.gz XXPLRBKCDXUECE-LSDHHAIUSA-N 2 1 345.487 3.374 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000286990837 276067784 /nfs/dbraw/zinc/06/77/84/276067784.db2.gz JQBYRJNJYWVLSF-YYWHXJBOSA-N 2 1 347.547 3.396 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(OC(C)C)cc2)N(C)C)[C@@H](C)C1 ZINC000286990837 276067786 /nfs/dbraw/zinc/06/77/86/276067786.db2.gz JQBYRJNJYWVLSF-YYWHXJBOSA-N 2 1 347.547 3.396 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(OC(C)C)cc2)N(C)C)[C@@H](C)C1 ZINC000286990837 276067787 /nfs/dbraw/zinc/06/77/87/276067787.db2.gz JQBYRJNJYWVLSF-YYWHXJBOSA-N 2 1 347.547 3.396 20 0 EGADMP COc1ccc(CN(C)C[C@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000288970316 276273025 /nfs/dbraw/zinc/27/30/25/276273025.db2.gz BRCXKAKSCRUBQU-ZDUSSCGKSA-N 2 1 341.293 3.231 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000289148644 276297018 /nfs/dbraw/zinc/29/70/18/276297018.db2.gz GDTGYRHKEPTZMJ-OXJNMPFZSA-N 2 1 341.499 3.372 20 0 EGADMP CC(C)n1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000289535376 276354333 /nfs/dbraw/zinc/35/43/33/276354333.db2.gz CCFSGDNCOQNCSQ-UHFFFAOYSA-N 2 1 327.476 3.135 20 0 EGADMP CC(C)(C)OC(=O)CCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000182226232 277174559 /nfs/dbraw/zinc/17/45/59/277174559.db2.gz QEMLVPMHQPRABV-AEFFLSMTSA-N 2 1 336.520 3.447 20 0 EGADMP CC(C)(C)OC(=O)CCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000182226232 277174561 /nfs/dbraw/zinc/17/45/61/277174561.db2.gz QEMLVPMHQPRABV-AEFFLSMTSA-N 2 1 336.520 3.447 20 0 EGADMP CC(C)(C)OC(=O)CCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000182226232 277174562 /nfs/dbraw/zinc/17/45/62/277174562.db2.gz QEMLVPMHQPRABV-AEFFLSMTSA-N 2 1 336.520 3.447 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000374058533 279044038 /nfs/dbraw/zinc/04/40/38/279044038.db2.gz TWUDSOSBECAIFF-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000354383738 288197731 /nfs/dbraw/zinc/19/77/31/288197731.db2.gz GCVRMSYIKMSDRR-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000354383738 288197732 /nfs/dbraw/zinc/19/77/32/288197732.db2.gz GCVRMSYIKMSDRR-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000354383738 288197733 /nfs/dbraw/zinc/19/77/33/288197733.db2.gz GCVRMSYIKMSDRR-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000354383738 288197735 /nfs/dbraw/zinc/19/77/35/288197735.db2.gz GCVRMSYIKMSDRR-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000181721313 281374420 /nfs/dbraw/zinc/37/44/20/281374420.db2.gz IFNVMZZWJPUIET-JKSUJKDBSA-N 2 1 329.488 3.282 20 0 EGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(C)(C)C1CC1 ZINC000376904171 289607384 /nfs/dbraw/zinc/60/73/84/289607384.db2.gz PKOXZGZQWGLOLH-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1([NH3+])CCCCC1 ZINC000237519321 290393381 /nfs/dbraw/zinc/39/33/81/290393381.db2.gz UAWFOMFNZOJPJF-KRWDZBQOSA-N 2 1 343.515 3.339 20 0 EGADMP COc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc(OC)c1OC ZINC000171141811 295019028 /nfs/dbraw/zinc/01/90/28/295019028.db2.gz OOOBVJHMFZYJKI-LSDHHAIUSA-N 2 1 336.476 3.095 20 0 EGADMP COc1ccc(C[N@@H+](CC2CCC2)CC2CC[NH2+]CC2)c(OC)c1 ZINC000261640421 295126350 /nfs/dbraw/zinc/12/63/50/295126350.db2.gz AFJSXRSERJAVEB-UHFFFAOYSA-N 2 1 332.488 3.306 20 0 EGADMP COc1ccc(C[N@@H+](CC2CCC2)C[C@]2(C)CC[NH2+]C2)c(OC)c1 ZINC000262072666 295126373 /nfs/dbraw/zinc/12/63/73/295126373.db2.gz SEMYJZHOMTZDHM-HXUWFJFHSA-N 2 1 332.488 3.306 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000066044408 307361334 /nfs/dbraw/zinc/36/13/34/307361334.db2.gz MCVWAKUQUUTKAG-LJQANCHMSA-N 2 1 331.504 3.060 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000066044408 307361335 /nfs/dbraw/zinc/36/13/35/307361335.db2.gz MCVWAKUQUUTKAG-LJQANCHMSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000414112291 309061441 /nfs/dbraw/zinc/06/14/41/309061441.db2.gz XTAPXSDSBMNUCB-JENIJYKNSA-N 2 1 326.488 3.371 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000414114170 309061642 /nfs/dbraw/zinc/06/16/42/309061642.db2.gz STQMPPRJAWECMY-JZXOWHBKSA-N 2 1 331.504 3.264 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@H](O)C(C)C ZINC000414295322 309071187 /nfs/dbraw/zinc/07/11/87/309071187.db2.gz NPLDNQXXDFCZBV-YMQHIKHWSA-N 2 1 330.516 3.282 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccc(NCc3c[nH+]c(N(C)C)n3C)cc2)C1 ZINC000414303295 309071581 /nfs/dbraw/zinc/07/15/81/309071581.db2.gz VJXSDHYDTLUDIF-MRXNPFEDSA-N 2 1 341.503 3.330 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NCc3c[nH+]c(N(C)C)n3C)cc2)C1 ZINC000414303295 309071582 /nfs/dbraw/zinc/07/15/82/309071582.db2.gz VJXSDHYDTLUDIF-MRXNPFEDSA-N 2 1 341.503 3.330 20 0 EGADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248398019 308002064 /nfs/dbraw/zinc/00/20/64/308002064.db2.gz IOIZHIZSTWXCDS-XRXFAXGQSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000248575695 308006174 /nfs/dbraw/zinc/00/61/74/308006174.db2.gz SYQWOZWHGTYIPU-DEPWHIHDSA-N 3 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000248575695 308006175 /nfs/dbraw/zinc/00/61/75/308006175.db2.gz SYQWOZWHGTYIPU-DEPWHIHDSA-N 3 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000248575695 308006177 /nfs/dbraw/zinc/00/61/77/308006177.db2.gz SYQWOZWHGTYIPU-DEPWHIHDSA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000248575695 308006178 /nfs/dbraw/zinc/00/61/78/308006178.db2.gz SYQWOZWHGTYIPU-DEPWHIHDSA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCC(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248614048 308007358 /nfs/dbraw/zinc/00/73/58/308007358.db2.gz YJYHICKRKLVNPJ-YRUNKUHOSA-N 2 1 349.563 3.312 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCC(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248614048 308007360 /nfs/dbraw/zinc/00/73/60/308007360.db2.gz YJYHICKRKLVNPJ-YRUNKUHOSA-N 2 1 349.563 3.312 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000248748867 308010525 /nfs/dbraw/zinc/01/05/25/308010525.db2.gz FWVUPAXBFFUHIG-RCCFBDPRSA-N 2 1 348.535 3.098 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000248748867 308010528 /nfs/dbraw/zinc/01/05/28/308010528.db2.gz FWVUPAXBFFUHIG-RCCFBDPRSA-N 2 1 348.535 3.098 20 0 EGADMP CSc1ccc(NC(=O)[C@H](C)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292874152 308075235 /nfs/dbraw/zinc/07/52/35/308075235.db2.gz DMFOBLTUIPYPMF-HNAYVOBHSA-N 2 1 347.528 3.153 20 0 EGADMP CCc1ncc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000414454563 309081323 /nfs/dbraw/zinc/08/13/23/309081323.db2.gz OBOCIGNCHBONAU-LJQANCHMSA-N 2 1 338.499 3.431 20 0 EGADMP CCc1ncc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414454563 309081324 /nfs/dbraw/zinc/08/13/24/309081324.db2.gz OBOCIGNCHBONAU-LJQANCHMSA-N 2 1 338.499 3.431 20 0 EGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CCC4OCCCO4)C3)CC2)cc1 ZINC000293382893 308125768 /nfs/dbraw/zinc/12/57/68/308125768.db2.gz PVPHYDGLASAKNR-UHFFFAOYSA-N 2 1 344.499 3.128 20 0 EGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Oc4cnccn4)cc3)C2)C1 ZINC000293655672 308149929 /nfs/dbraw/zinc/14/99/29/308149929.db2.gz NHSYUHWFFCSRCP-FQEVSTJZSA-N 2 1 338.455 3.187 20 0 EGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Oc4cnccn4)cc3)C2)C1 ZINC000293655672 308149931 /nfs/dbraw/zinc/14/99/31/308149931.db2.gz NHSYUHWFFCSRCP-FQEVSTJZSA-N 2 1 338.455 3.187 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(Oc4cnccn4)cc3)C2)C1 ZINC000293655672 308149933 /nfs/dbraw/zinc/14/99/33/308149933.db2.gz NHSYUHWFFCSRCP-FQEVSTJZSA-N 2 1 338.455 3.187 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(Oc4cnccn4)cc3)C2)C1 ZINC000293655672 308149935 /nfs/dbraw/zinc/14/99/35/308149935.db2.gz NHSYUHWFFCSRCP-FQEVSTJZSA-N 2 1 338.455 3.187 20 0 EGADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000294251097 308203729 /nfs/dbraw/zinc/20/37/29/308203729.db2.gz ALFHCKWGEFGYDR-UHFFFAOYSA-N 2 1 345.487 3.152 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000295108031 308292121 /nfs/dbraw/zinc/29/21/21/308292121.db2.gz UYQVOCIWXOQYNV-HNNXBMFYSA-N 2 1 338.879 3.290 20 0 EGADMP Fc1ccc(Br)c2c1CC[N@H+](CCCn1ccnc1)C2 ZINC000295281840 308310508 /nfs/dbraw/zinc/31/05/08/308310508.db2.gz DAUWRQXYJVJMNE-UHFFFAOYSA-N 2 1 338.224 3.233 20 0 EGADMP Fc1ccc(Br)c2c1CC[N@@H+](CCCn1ccnc1)C2 ZINC000295281840 308310509 /nfs/dbraw/zinc/31/05/09/308310509.db2.gz DAUWRQXYJVJMNE-UHFFFAOYSA-N 2 1 338.224 3.233 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](Cc1ccccc1)OC ZINC000295864981 308368569 /nfs/dbraw/zinc/36/85/69/308368569.db2.gz CFGRMCHVLISYOD-IBGZPJMESA-N 2 1 329.488 3.415 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](Cc1ccccc1)OC ZINC000295864981 308368571 /nfs/dbraw/zinc/36/85/71/308368571.db2.gz CFGRMCHVLISYOD-IBGZPJMESA-N 2 1 329.488 3.415 20 0 EGADMP COC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCC1 ZINC000296149368 308398617 /nfs/dbraw/zinc/39/86/17/308398617.db2.gz VVXHSDRANPNLJW-UHFFFAOYSA-N 2 1 334.479 3.381 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OCc1ccccc1 ZINC000414654220 309093852 /nfs/dbraw/zinc/09/38/52/309093852.db2.gz BPFMTKIUXFKLNN-LPHOPBHVSA-N 2 1 340.467 3.443 20 0 EGADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCOc2ccc(Br)cc2)CC[NH2+]1 ZINC000414676337 309095106 /nfs/dbraw/zinc/09/51/06/309095106.db2.gz HHTNQWYVLNDGFN-KGLIPLIRSA-N 2 1 341.293 3.148 20 0 EGADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414695459 309095771 /nfs/dbraw/zinc/09/57/71/309095771.db2.gz GMCAOLDBMWQMOX-PKOBYXMFSA-N 2 1 330.520 3.008 20 0 EGADMP COc1cccc(C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C2CCC(O)CC2)c1 ZINC000414746074 309098644 /nfs/dbraw/zinc/09/86/44/309098644.db2.gz LPLXTHIJIOWLKJ-FVPXHTFXSA-N 2 1 346.515 3.189 20 0 EGADMP Fc1ccc(Br)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414776697 309100300 /nfs/dbraw/zinc/10/03/00/309100300.db2.gz HLFXLZKIESYOEK-QWHCGFSZSA-N 2 1 341.268 3.410 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2)CC12CCOCC2 ZINC000414779069 309100484 /nfs/dbraw/zinc/10/04/84/309100484.db2.gz HGOUAYOMRPSXOW-ZDUSSCGKSA-N 2 1 329.271 3.181 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2)CC12CCOCC2 ZINC000414779069 309100485 /nfs/dbraw/zinc/10/04/85/309100485.db2.gz HGOUAYOMRPSXOW-ZDUSSCGKSA-N 2 1 329.271 3.181 20 0 EGADMP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414779600 309100626 /nfs/dbraw/zinc/10/06/26/309100626.db2.gz KMXFLWLXCKJOJH-HZPDHXFCSA-N 2 1 342.405 3.449 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000414785854 309101084 /nfs/dbraw/zinc/10/10/84/309101084.db2.gz JVYUWXLAIIAYNB-CVEARBPZSA-N 2 1 346.368 3.173 20 0 EGADMP Brc1csc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414785264 309101203 /nfs/dbraw/zinc/10/12/03/309101203.db2.gz SGBLJZGYPKACRI-RYUDHWBXSA-N 2 1 329.307 3.332 20 0 EGADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000414830435 309104327 /nfs/dbraw/zinc/10/43/27/309104327.db2.gz OAFXTWIPQYGMRD-AFDCHOCNSA-N 2 1 328.500 3.426 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414832418 309104492 /nfs/dbraw/zinc/10/44/92/309104492.db2.gz QLWHJSJSGOKPBG-HNNXBMFYSA-N 2 1 332.879 3.232 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000305132716 308758474 /nfs/dbraw/zinc/75/84/74/308758474.db2.gz KPVBZVWMCSIAKH-HZPDHXFCSA-N 2 1 337.508 3.039 20 0 EGADMP [NH3+][C@@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1)C1CC1 ZINC000414895008 309107929 /nfs/dbraw/zinc/10/79/29/309107929.db2.gz VBCHDXPZLJHFJC-NRFANRHFSA-N 2 1 346.478 3.425 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H]([NH3+])C(C)C)c1 ZINC000414899011 309108139 /nfs/dbraw/zinc/10/81/39/309108139.db2.gz GNZVZJAPKXRTLD-QGZVFWFLSA-N 2 1 343.475 3.160 20 0 EGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c1C ZINC000414928507 309109628 /nfs/dbraw/zinc/10/96/28/309109628.db2.gz NIYIJPHIQDDAAH-MAUKXSAKSA-N 2 1 331.504 3.388 20 0 EGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000414995405 309113274 /nfs/dbraw/zinc/11/32/74/309113274.db2.gz FOHQUEDTXXCKHO-MRXNPFEDSA-N 2 1 348.441 3.330 20 0 EGADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414999636 309113431 /nfs/dbraw/zinc/11/34/31/309113431.db2.gz JNSKEUGEWRZSAG-NSHDSACASA-N 2 1 329.441 3.206 20 0 EGADMP c1ccc(Sc2ccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)cc2)cc1 ZINC000415034914 309115676 /nfs/dbraw/zinc/11/56/76/309115676.db2.gz ILEDNGVGRFQBTP-QGZVFWFLSA-N 2 1 328.481 3.306 20 0 EGADMP CCOc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)ccc1OC(F)F ZINC000415055609 309116960 /nfs/dbraw/zinc/11/69/60/309116960.db2.gz RGXFLWVWTMFGSW-CQSZACIVSA-N 2 1 328.403 3.294 20 0 EGADMP COc1ccc(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1F ZINC000415079396 309118809 /nfs/dbraw/zinc/11/88/09/309118809.db2.gz KAULOTDOWFKGKM-PKOBYXMFSA-N 2 1 328.431 3.460 20 0 EGADMP OC[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415083553 309119006 /nfs/dbraw/zinc/11/90/06/309119006.db2.gz PULYBOVJKZWBKR-DXIQSLLYSA-N 2 1 349.478 3.154 20 0 EGADMP C[NH2+]CCC[N@H+](C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000415121235 309121776 /nfs/dbraw/zinc/12/17/76/309121776.db2.gz HUSPDWOIGSCUOG-UHFFFAOYSA-N 2 1 326.366 3.137 20 0 EGADMP C[NH2+]CCC[N@@H+](C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000415121235 309121777 /nfs/dbraw/zinc/12/17/77/309121777.db2.gz HUSPDWOIGSCUOG-UHFFFAOYSA-N 2 1 326.366 3.137 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000415939713 309150199 /nfs/dbraw/zinc/15/01/99/309150199.db2.gz ZJCHVLYQQWERMZ-HZPDHXFCSA-N 2 1 332.492 3.038 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415972028 309152060 /nfs/dbraw/zinc/15/20/60/309152060.db2.gz OLMXSLNVONWEKZ-LLVKDONJSA-N 2 1 346.397 3.014 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417700659 309218667 /nfs/dbraw/zinc/21/86/67/309218667.db2.gz GZBKRTVULITPDI-UHFFFAOYSA-N 2 1 345.531 3.332 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420290401 309279613 /nfs/dbraw/zinc/27/96/13/309279613.db2.gz LYVFMPXWQTWGRR-SJKOYZFVSA-N 2 1 330.863 3.275 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420290401 309279614 /nfs/dbraw/zinc/27/96/14/309279614.db2.gz LYVFMPXWQTWGRR-SJKOYZFVSA-N 2 1 330.863 3.275 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC000420297968 309280115 /nfs/dbraw/zinc/28/01/15/309280115.db2.gz ZHXXLMRAMAMYAF-FQEVSTJZSA-N 2 1 327.472 3.466 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC000420297968 309280116 /nfs/dbraw/zinc/28/01/16/309280116.db2.gz ZHXXLMRAMAMYAF-FQEVSTJZSA-N 2 1 327.472 3.466 20 0 EGADMP c1cc(C[N@H+](CC[C@H]2CCC[NH2+]C2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000420313140 309281230 /nfs/dbraw/zinc/28/12/30/309281230.db2.gz PEBRZCBXNKKKHQ-SJLPKXTDSA-N 3 1 333.545 3.082 20 0 EGADMP c1csc(C[N@H+](CCCc2ccncc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000420312690 309281318 /nfs/dbraw/zinc/28/13/18/309281318.db2.gz OTLGGYNQYJKSHG-KRWDZBQOSA-N 2 1 342.512 3.115 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000420320554 309282152 /nfs/dbraw/zinc/28/21/52/309282152.db2.gz QOWVGICYFVWBPN-FKBYEOEOSA-N 2 1 336.479 3.069 20 0 EGADMP COc1cccc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000420323425 309282431 /nfs/dbraw/zinc/28/24/31/309282431.db2.gz UGCZVZPRTIBEGG-YLJYHZDGSA-N 2 1 332.488 3.066 20 0 EGADMP c1csc(-c2noc(CCC[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420334801 309282784 /nfs/dbraw/zinc/28/27/84/309282784.db2.gz GNINZORRZPDGEK-GJZGRUSLSA-N 2 1 346.500 3.052 20 0 EGADMP Fc1ccc(-n2ccc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)c(F)c1 ZINC000420332971 309282866 /nfs/dbraw/zinc/28/28/66/309282866.db2.gz GZZQCJUZGRMJSL-SFHVURJKSA-N 2 1 346.425 3.115 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1cccc(Cl)c1 ZINC000420380497 309285340 /nfs/dbraw/zinc/28/53/40/309285340.db2.gz BYJAMBZFMXDRFI-YOEHRIQHSA-N 2 1 335.879 3.133 20 0 EGADMP CCCCc1nc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cs1 ZINC000420381442 309285548 /nfs/dbraw/zinc/28/55/48/309285548.db2.gz PAQZBYMKBIMFKA-SJLPKXTDSA-N 2 1 337.533 3.204 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C[C@H]1C[NH3+] ZINC000420400149 309286467 /nfs/dbraw/zinc/28/64/67/309286467.db2.gz IJAFBWFIZIKTTC-SWLSCSKDSA-N 2 1 348.288 3.414 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C[C@H]1C[NH3+] ZINC000420400149 309286468 /nfs/dbraw/zinc/28/64/68/309286468.db2.gz IJAFBWFIZIKTTC-SWLSCSKDSA-N 2 1 348.288 3.414 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C3CC3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000421318837 309318153 /nfs/dbraw/zinc/31/81/53/309318153.db2.gz IKUHTKVGCHPQKX-DYESRHJHSA-N 2 1 327.516 3.022 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCc3cccc(Cl)c3)CC2)CC1 ZINC000421369828 309321092 /nfs/dbraw/zinc/32/10/92/309321092.db2.gz HYKDNQUKHYRMOX-UHFFFAOYSA-N 2 1 349.950 3.375 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(F)c(C)c3)CC2)CC1 ZINC000421377793 309321614 /nfs/dbraw/zinc/32/16/14/309321614.db2.gz RZFCMLHCECFIKB-UHFFFAOYSA-N 2 1 333.495 3.126 20 0 EGADMP COC1([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000421398886 309322974 /nfs/dbraw/zinc/32/29/74/309322974.db2.gz GWHIJZLRXNZZEX-WSTZPKSXSA-N 2 1 346.515 3.071 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccncc1Cl ZINC000421834396 309342221 /nfs/dbraw/zinc/34/22/21/309342221.db2.gz CFXBQMYKBUJVOH-RHSMWYFYSA-N 2 1 345.874 3.152 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@@H]1C[NH3+] ZINC000422559123 309361578 /nfs/dbraw/zinc/36/15/78/309361578.db2.gz CBZGUSLAVOCVKM-HLIPFELVSA-N 2 1 339.483 3.466 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)ccc2o1 ZINC000422637394 309363247 /nfs/dbraw/zinc/36/32/47/309363247.db2.gz OOHNPQTYVHEFML-WWGRRREGSA-N 2 1 330.428 3.025 20 0 EGADMP CC(C)(CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422702951 309363805 /nfs/dbraw/zinc/36/38/05/309363805.db2.gz LWQCKMQVPYEUNO-PWRODBHTSA-N 2 1 341.543 3.334 20 0 EGADMP CC(C)(CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422702951 309363806 /nfs/dbraw/zinc/36/38/06/309363806.db2.gz LWQCKMQVPYEUNO-PWRODBHTSA-N 2 1 341.543 3.334 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422712537 309364344 /nfs/dbraw/zinc/36/43/44/309364344.db2.gz IMIVFLDQIRYWLA-LEWJYISDSA-N 3 1 339.483 3.252 20 0 EGADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000422737715 309366049 /nfs/dbraw/zinc/36/60/49/309366049.db2.gz XTJVNWVZDYPHSL-UAFMIMERSA-N 2 1 333.495 3.329 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCCC[N@@H+](C)Cc1ccccc1 ZINC000422790882 309368410 /nfs/dbraw/zinc/36/84/10/309368410.db2.gz UNLOUCQFEMYNLQ-MRXNPFEDSA-N 2 1 326.488 3.021 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000422790882 309368411 /nfs/dbraw/zinc/36/84/11/309368411.db2.gz UNLOUCQFEMYNLQ-MRXNPFEDSA-N 3 1 326.488 3.021 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000422790882 309368412 /nfs/dbraw/zinc/36/84/12/309368412.db2.gz UNLOUCQFEMYNLQ-MRXNPFEDSA-N 3 1 326.488 3.021 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)c2ccccc21 ZINC000422798247 309369109 /nfs/dbraw/zinc/36/91/09/309369109.db2.gz QHWMUIRCYAGSEK-DPMMWBKBSA-N 2 1 348.849 3.365 20 0 EGADMP CCN(CC)[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)c1cccc(OC)c1 ZINC000422798482 309369117 /nfs/dbraw/zinc/36/91/17/309369117.db2.gz RIISONFTAAIJRB-NSISKUIASA-N 2 1 333.520 3.056 20 0 EGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422814095 309369860 /nfs/dbraw/zinc/36/98/60/309369860.db2.gz ZMVFTOGCQANODJ-GCJKJVERSA-N 3 1 337.511 3.331 20 0 EGADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422814095 309369861 /nfs/dbraw/zinc/36/98/61/309369861.db2.gz ZMVFTOGCQANODJ-GCJKJVERSA-N 2 1 337.511 3.331 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422839607 309371274 /nfs/dbraw/zinc/37/12/74/309371274.db2.gz QVLAXJUKECPMNB-UWVAXJGDSA-N 2 1 332.536 3.400 20 0 EGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000422854811 309372279 /nfs/dbraw/zinc/37/22/79/309372279.db2.gz DBZQCHNGLVJUQM-FUHWJXTLSA-N 2 1 329.488 3.214 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000422862055 309372514 /nfs/dbraw/zinc/37/25/14/309372514.db2.gz NHHAOFWCCUWHPB-RDTXWAMCSA-N 2 1 329.419 3.491 20 0 EGADMP CCOc1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1OC(F)F ZINC000422871718 309373077 /nfs/dbraw/zinc/37/30/77/309373077.db2.gz DILHCKFDJWRBHW-OCCSQVGLSA-N 2 1 328.403 3.164 20 0 EGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422881919 309373823 /nfs/dbraw/zinc/37/38/23/309373823.db2.gz RFDGCKGBGDEELK-XLIONFOSSA-N 2 1 338.499 3.120 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884091 309374177 /nfs/dbraw/zinc/37/41/77/309374177.db2.gz RSDYMNMXGFPVGC-BBWFWOEESA-N 3 1 332.536 3.257 20 0 EGADMP c1sc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1C1CC1 ZINC000422939579 309377138 /nfs/dbraw/zinc/37/71/38/309377138.db2.gz MDNJXAZAKOJXAV-KXBFYZLASA-N 2 1 341.480 3.366 20 0 EGADMP c1cc(-c2ccccc2)oc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422973174 309379095 /nfs/dbraw/zinc/37/90/95/309379095.db2.gz NUCYJGVQKDMDOH-IPMKNSEASA-N 2 1 326.440 3.193 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000422990117 309379796 /nfs/dbraw/zinc/37/97/96/309379796.db2.gz BQCYPPOWHLUXNS-DYESRHJHSA-N 3 1 341.499 3.389 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1CN(C)Cc1ccco1 ZINC000422990117 309379797 /nfs/dbraw/zinc/37/97/97/309379797.db2.gz BQCYPPOWHLUXNS-DYESRHJHSA-N 2 1 341.499 3.389 20 0 EGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccncc1OCC(F)F ZINC000423098083 309385993 /nfs/dbraw/zinc/38/59/93/309385993.db2.gz KABTYAAYZAGMFQ-ZFWWWQNUSA-N 2 1 327.419 3.126 20 0 EGADMP COCc1nc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c(-c2ccccc2)s1 ZINC000423102655 309386190 /nfs/dbraw/zinc/38/61/90/309386190.db2.gz OKHBNIFCDVYVQZ-CABCVRRESA-N 2 1 331.485 3.174 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423134217 309387639 /nfs/dbraw/zinc/38/76/39/309387639.db2.gz DRFAEIRYUPDLPZ-NRSPTQNISA-N 3 1 329.532 3.266 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423134217 309387640 /nfs/dbraw/zinc/38/76/40/309387640.db2.gz DRFAEIRYUPDLPZ-NRSPTQNISA-N 2 1 329.532 3.266 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423134217 309387641 /nfs/dbraw/zinc/38/76/41/309387641.db2.gz DRFAEIRYUPDLPZ-NRSPTQNISA-N 2 1 329.532 3.266 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423193569 309389962 /nfs/dbraw/zinc/38/99/62/309389962.db2.gz WYZUOYZXAIXPEW-TYPHKJRUSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423193569 309389963 /nfs/dbraw/zinc/38/99/63/309389963.db2.gz WYZUOYZXAIXPEW-TYPHKJRUSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423193569 309389964 /nfs/dbraw/zinc/38/99/64/309389964.db2.gz WYZUOYZXAIXPEW-TYPHKJRUSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423202323 309390255 /nfs/dbraw/zinc/39/02/55/309390255.db2.gz AQZGSJIQLICYIB-KJJMTIBFSA-N 2 1 341.543 3.266 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NC[C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423202323 309390256 /nfs/dbraw/zinc/39/02/56/309390256.db2.gz AQZGSJIQLICYIB-KJJMTIBFSA-N 2 1 341.543 3.266 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NC[C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423202323 309390257 /nfs/dbraw/zinc/39/02/57/309390257.db2.gz AQZGSJIQLICYIB-KJJMTIBFSA-N 2 1 341.543 3.266 20 0 EGADMP COCCC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc(Br)cc1 ZINC000423276599 309393624 /nfs/dbraw/zinc/39/36/24/309393624.db2.gz OPVWBOKUSXYIEK-HOTGVXAUSA-N 2 1 343.309 3.490 20 0 EGADMP CCC([NH3+])(CC)CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423286319 309394130 /nfs/dbraw/zinc/39/41/30/309394130.db2.gz GNXOYXRECPGMBK-HSALFYBXSA-N 2 1 329.532 3.394 20 0 EGADMP CCC([NH3+])(CC)CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423286320 309394205 /nfs/dbraw/zinc/39/42/05/309394205.db2.gz GNXOYXRECPGMBK-SLFFLAALSA-N 2 1 329.532 3.394 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)c1 ZINC000423335626 309395656 /nfs/dbraw/zinc/39/56/56/309395656.db2.gz UBAKDUMWHUVGFO-MAUKXSAKSA-N 2 1 340.471 3.381 20 0 EGADMP CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+][C@H](C)C[NH3+])nc1 ZINC000423340092 309396036 /nfs/dbraw/zinc/39/60/36/309396036.db2.gz WSRINPDFDBMTMN-KUHUBIRLSA-N 2 1 331.891 3.388 20 0 EGADMP [NH3+]C1(CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000423340550 309396220 /nfs/dbraw/zinc/39/62/20/309396220.db2.gz XJTBBXAPYHNMQN-HSALFYBXSA-N 2 1 327.516 3.148 20 0 EGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423365851 309397226 /nfs/dbraw/zinc/39/72/26/309397226.db2.gz KSIFDDUGGHBTRL-BMIPRAEKSA-N 2 1 338.442 3.205 20 0 EGADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc4c(c3)C[NH2+]C4)CC2)C1 ZINC000423384932 309397999 /nfs/dbraw/zinc/39/79/99/309397999.db2.gz LDYMNMCDXAGNPU-HRAATJIYSA-N 3 1 327.516 3.423 20 0 EGADMP C[C@H](NC[C@@H]1[NH2+]CCCC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423384179 309398028 /nfs/dbraw/zinc/39/80/28/309398028.db2.gz JYIHJWCYIVGVRC-SXLOBPIMSA-N 2 1 329.532 3.265 20 0 EGADMP Fc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2[C@H]4C[NH2+]C[C@H]42)CCC3)cc1 ZINC000423425731 309399907 /nfs/dbraw/zinc/39/99/07/309399907.db2.gz HAKAVWUYXSKVIY-KNCOVGOOSA-N 2 1 329.444 3.134 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423428303 309399996 /nfs/dbraw/zinc/39/99/96/309399996.db2.gz GJJVMVLDLCYYPB-GQIGUUNPSA-N 2 1 337.467 3.099 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(C(F)(F)F)c1 ZINC000423491036 309402627 /nfs/dbraw/zinc/40/26/27/309402627.db2.gz IXXFVCYAYKPCGV-HOTGVXAUSA-N 2 1 330.394 3.371 20 0 EGADMP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000430951359 309621963 /nfs/dbraw/zinc/62/19/63/309621963.db2.gz VHPIWNKISXGMPJ-QWRGUYRKSA-N 2 1 344.286 3.380 20 0 EGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)OCCCCO4)CC[C@@H]21 ZINC000449049561 310033189 /nfs/dbraw/zinc/03/31/89/310033189.db2.gz RVHLAQIFSUFBDT-MSOLQXFVSA-N 2 1 330.472 3.154 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)OCCCCO4)CC[C@@H]21 ZINC000449049561 310033190 /nfs/dbraw/zinc/03/31/90/310033190.db2.gz RVHLAQIFSUFBDT-MSOLQXFVSA-N 2 1 330.472 3.154 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)OCCCCO4)CC[C@@H]21 ZINC000449049561 310033191 /nfs/dbraw/zinc/03/31/91/310033191.db2.gz RVHLAQIFSUFBDT-MSOLQXFVSA-N 2 1 330.472 3.154 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCCCO4)CC[C@@H]21 ZINC000449049561 310033192 /nfs/dbraw/zinc/03/31/92/310033192.db2.gz RVHLAQIFSUFBDT-MSOLQXFVSA-N 2 1 330.472 3.154 20 0 EGADMP C[C@H](CC(C)(C)C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000449145184 310040158 /nfs/dbraw/zinc/04/01/58/310040158.db2.gz KTSOIHWHPKWGIR-APWZRJJASA-N 2 1 345.531 3.298 20 0 EGADMP CC(C)COc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000449194621 310043613 /nfs/dbraw/zinc/04/36/13/310043613.db2.gz UXNVQVFZIIJYDG-UXHICEINSA-N 2 1 346.515 3.189 20 0 EGADMP CCn1nnc(C)c1C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000449218421 310045505 /nfs/dbraw/zinc/04/55/05/310045505.db2.gz IBQZWSFRUKXLKK-UHFFFAOYSA-N 2 1 341.503 3.128 20 0 EGADMP COc1cc(C)ccc1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000449228530 310046206 /nfs/dbraw/zinc/04/62/06/310046206.db2.gz YXAODBUMQRNXJS-UHFFFAOYSA-N 2 1 340.471 3.169 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCCC3(F)F)sc2C1 ZINC000449499076 310066990 /nfs/dbraw/zinc/06/69/90/310066990.db2.gz STYHLBQXPPMVBT-GFCCVEGCSA-N 2 1 329.460 3.435 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCCC3(F)F)sc2C1 ZINC000449499076 310066991 /nfs/dbraw/zinc/06/69/91/310066991.db2.gz STYHLBQXPPMVBT-GFCCVEGCSA-N 2 1 329.460 3.435 20 0 EGADMP CC(C)[N@H+]1CCc2nc(CN3CCSC[C@H]3C3CC3)sc2C1 ZINC000449526428 310069222 /nfs/dbraw/zinc/06/92/22/310069222.db2.gz DREJOXFDTIJOLV-HNNXBMFYSA-N 2 1 337.558 3.237 20 0 EGADMP CC(C)N1CCc2nc(CN3CCSC[C@H]3C3CC3)sc2C1 ZINC000449526428 310069223 /nfs/dbraw/zinc/06/92/23/310069223.db2.gz DREJOXFDTIJOLV-HNNXBMFYSA-N 2 1 337.558 3.237 20 0 EGADMP Cc1ncc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)n1-c1ccccc1 ZINC000449555478 310071510 /nfs/dbraw/zinc/07/15/10/310071510.db2.gz QJZMLKYAUHKXNU-HLIPFELVSA-N 2 1 325.456 3.164 20 0 EGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[N@@H+]2CCCC2(C)C)c1C ZINC000449781757 310086870 /nfs/dbraw/zinc/08/68/70/310086870.db2.gz JMPHJWCJBIEHDR-INIZCTEOSA-N 2 1 331.504 3.485 20 0 EGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[N@H+]2CCCC2(C)C)c1C ZINC000449781757 310086871 /nfs/dbraw/zinc/08/68/71/310086871.db2.gz JMPHJWCJBIEHDR-INIZCTEOSA-N 2 1 331.504 3.485 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)Cc2ccccc2)CC1)CC1CC1 ZINC000450657494 310135565 /nfs/dbraw/zinc/13/55/65/310135565.db2.gz ZVWFIAUXZZKRDL-JOCHJYFZSA-N 2 1 344.543 3.424 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1CN(C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000450798428 310143054 /nfs/dbraw/zinc/14/30/54/310143054.db2.gz ZBERUZPRNSBNBS-HBMCJLEFSA-N 2 1 344.547 3.269 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1CN(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000450798428 310143055 /nfs/dbraw/zinc/14/30/55/310143055.db2.gz ZBERUZPRNSBNBS-HBMCJLEFSA-N 2 1 344.547 3.269 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1CN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000450798428 310143056 /nfs/dbraw/zinc/14/30/56/310143056.db2.gz ZBERUZPRNSBNBS-HBMCJLEFSA-N 2 1 344.547 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000450891235 310148188 /nfs/dbraw/zinc/14/81/88/310148188.db2.gz YYMJVWINPZLEQJ-BHIFYINESA-N 2 1 341.543 3.313 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000450891235 310148189 /nfs/dbraw/zinc/14/81/89/310148189.db2.gz YYMJVWINPZLEQJ-BHIFYINESA-N 2 1 341.543 3.313 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000450891235 310148190 /nfs/dbraw/zinc/14/81/90/310148190.db2.gz YYMJVWINPZLEQJ-BHIFYINESA-N 2 1 341.543 3.313 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000450940655 310150962 /nfs/dbraw/zinc/15/09/62/310150962.db2.gz MCCBGNCWXTUJSM-NHCUHLMSSA-N 2 1 329.532 3.108 20 0 EGADMP C[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H](CO)CC(C)(C)C ZINC000451776555 310196711 /nfs/dbraw/zinc/19/67/11/310196711.db2.gz AOPWWNYMRDHHOY-WOJBJXKFSA-N 2 1 348.531 3.006 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c2nccn21 ZINC000453092985 310257368 /nfs/dbraw/zinc/25/73/68/310257368.db2.gz ROWWQUXBWNTVFX-VYDXJSESSA-N 2 1 330.501 3.452 20 0 EGADMP FC(F)COCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453224223 310265118 /nfs/dbraw/zinc/26/51/18/310265118.db2.gz PSJBXLRZAKSEQH-KURKYZTESA-N 2 1 338.442 3.301 20 0 EGADMP Cc1nnsc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453228265 310265227 /nfs/dbraw/zinc/26/52/27/310265227.db2.gz DOTDSTJECHCUOW-RCCFBDPRSA-N 2 1 342.512 3.379 20 0 EGADMP Cc1nnsc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453228265 310265228 /nfs/dbraw/zinc/26/52/28/310265228.db2.gz DOTDSTJECHCUOW-RCCFBDPRSA-N 2 1 342.512 3.379 20 0 EGADMP CO[C@@H]1COCC[C@@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453334960 310271652 /nfs/dbraw/zinc/27/16/52/310271652.db2.gz XPQZPXUWBYOPQK-WCHWRFHJSA-N 2 1 346.515 3.071 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([N@@H+]3CCC[C@@]4(CCOC4)C3)CC2)cc1 ZINC000453365375 310273126 /nfs/dbraw/zinc/27/31/26/310273126.db2.gz LWWYLKHYRWWAJX-OAQYLSRUSA-N 2 1 346.490 3.335 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([N@H+]3CCC[C@@]4(CCOC4)C3)CC2)cc1 ZINC000453365375 310273127 /nfs/dbraw/zinc/27/31/27/310273127.db2.gz LWWYLKHYRWWAJX-OAQYLSRUSA-N 2 1 346.490 3.335 20 0 EGADMP Cc1cc(NC(=O)NCCCCC[NH+]2CCCCC2)cn2cc[nH+]c12 ZINC000455658985 310371580 /nfs/dbraw/zinc/37/15/80/310371580.db2.gz NCTZBWFCHQXNTK-UHFFFAOYSA-N 2 1 343.475 3.420 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455933209 310382716 /nfs/dbraw/zinc/38/27/16/310382716.db2.gz QLTYFQNQVSQWAF-KSSFIOAISA-N 2 1 332.492 3.087 20 0 EGADMP C[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480900557 310902414 /nfs/dbraw/zinc/90/24/14/310902414.db2.gz RDUXTHZOUTVHBQ-RBUKOAKNSA-N 2 1 347.547 3.400 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccccc1C ZINC000482163464 310927903 /nfs/dbraw/zinc/92/79/03/310927903.db2.gz LTXKXRKVLNAHRI-UXHICEINSA-N 2 1 345.531 3.101 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488423859 311064744 /nfs/dbraw/zinc/06/47/44/311064744.db2.gz XBFMMQJBVKLQTL-DLBZAZTESA-N 2 1 328.566 3.386 20 0 EGADMP CC(C)(C)[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CS1 ZINC000488451346 311066052 /nfs/dbraw/zinc/06/60/52/311066052.db2.gz FCNNDARGTXOHJF-JKSUJKDBSA-N 2 1 326.550 3.141 20 0 EGADMP CC1CC[NH+](CCN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000489880336 311123891 /nfs/dbraw/zinc/12/38/91/311123891.db2.gz FDLIGWIWFWZLHO-NRFANRHFSA-N 2 1 329.532 3.172 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000492694865 311281233 /nfs/dbraw/zinc/28/12/33/311281233.db2.gz FLIAXOJTDDWLNM-BRWVUGGUSA-N 2 1 339.524 3.144 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496237884 311682672 /nfs/dbraw/zinc/68/26/72/311682672.db2.gz QOFHBYLLFROECW-SJORKVTESA-N 2 1 333.476 3.147 20 0 EGADMP C[N@@H+](CCOc1ccccc1Br)C[C@@H]1CCC[NH+](C)C1 ZINC000508876686 312104523 /nfs/dbraw/zinc/10/45/23/312104523.db2.gz VVAVBLBNOWWMNC-CQSZACIVSA-N 2 1 341.293 3.102 20 0 EGADMP C[NH+](CCOc1ccccc1Br)C[C@@H]1CCC[N@H+](C)C1 ZINC000508876686 312104526 /nfs/dbraw/zinc/10/45/26/312104526.db2.gz VVAVBLBNOWWMNC-CQSZACIVSA-N 2 1 341.293 3.102 20 0 EGADMP C[NH+](CCOc1ccccc1Br)C[C@@H]1CCC[N@@H+](C)C1 ZINC000508876686 312104529 /nfs/dbraw/zinc/10/45/29/312104529.db2.gz VVAVBLBNOWWMNC-CQSZACIVSA-N 2 1 341.293 3.102 20 0 EGADMP Fc1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)ccc1Cl ZINC000512427492 312184979 /nfs/dbraw/zinc/18/49/79/312184979.db2.gz MEFZQSSDIJXXST-UHFFFAOYSA-N 2 1 340.870 3.413 20 0 EGADMP C[C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C1CC1 ZINC000512672614 312192314 /nfs/dbraw/zinc/19/23/14/312192314.db2.gz LLRVERXORANIMQ-HGIWEUDGSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@H](CN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21)[N@H+](C)C1CC1 ZINC000512672614 312192316 /nfs/dbraw/zinc/19/23/16/312192316.db2.gz LLRVERXORANIMQ-HGIWEUDGSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@H](CN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21)[N@@H+](C)C1CC1 ZINC000512672614 312192319 /nfs/dbraw/zinc/19/23/19/312192319.db2.gz LLRVERXORANIMQ-HGIWEUDGSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N(C)C1CC1 ZINC000512672614 312192322 /nfs/dbraw/zinc/19/23/22/312192322.db2.gz LLRVERXORANIMQ-HGIWEUDGSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N(C)C1CC1 ZINC000512672614 312192324 /nfs/dbraw/zinc/19/23/24/312192324.db2.gz LLRVERXORANIMQ-HGIWEUDGSA-N 2 1 341.543 3.359 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](CC2CCCCCC2)CC1 ZINC000512845192 312196902 /nfs/dbraw/zinc/19/69/02/312196902.db2.gz RKMGYHRJYXVOJP-UHFFFAOYSA-N 2 1 326.525 3.016 20 0 EGADMP CC(C)c1nc(CNCC(=O)N(C)C2CCCCC2)c2ccccn21 ZINC000515188895 312270384 /nfs/dbraw/zinc/27/03/84/312270384.db2.gz ZIKYJGVRXHJKKY-UHFFFAOYSA-N 2 1 342.487 3.338 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000515487500 312285305 /nfs/dbraw/zinc/28/53/05/312285305.db2.gz WLRSAFLWFAGCQI-QGZVFWFLSA-N 2 1 337.552 3.255 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2nc(C3CC3)nn2C)CC1 ZINC000516565655 312330006 /nfs/dbraw/zinc/33/00/06/312330006.db2.gz HLRBRXGFPROLLT-INIZCTEOSA-N 2 1 345.535 3.169 20 0 EGADMP CC[C@@H]1CCC[C@H](C[NH+]2CCC([NH+](CCOC)CCOC)CC2)C1 ZINC000517057875 312361417 /nfs/dbraw/zinc/36/14/17/312361417.db2.gz XMILXIRDORNJGE-MOPGFXCFSA-N 2 1 340.552 3.262 20 0 EGADMP CCOCC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000517127812 312364967 /nfs/dbraw/zinc/36/49/67/312364967.db2.gz PGAYHCRYDHQGIO-UEXGIBASSA-N 2 1 348.531 3.042 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000528424800 313090265 /nfs/dbraw/zinc/09/02/65/313090265.db2.gz NDWAPWWWTGYKRW-IOMROCGXSA-N 2 1 346.490 3.332 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000528424800 313090268 /nfs/dbraw/zinc/09/02/68/313090268.db2.gz NDWAPWWWTGYKRW-IOMROCGXSA-N 2 1 346.490 3.332 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000528424800 313090272 /nfs/dbraw/zinc/09/02/72/313090272.db2.gz NDWAPWWWTGYKRW-IOMROCGXSA-N 2 1 346.490 3.332 20 0 EGADMP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530243401 313504557 /nfs/dbraw/zinc/50/45/57/313504557.db2.gz XYTPWQQXMGRPQG-GOEBONIOSA-N 2 1 335.492 3.124 20 0 EGADMP C[C@H](Cc1ccsc1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677572 313699459 /nfs/dbraw/zinc/69/94/59/313699459.db2.gz XDRHVGVRTGVJQO-NVXWUHKLSA-N 2 1 349.569 3.319 20 0 EGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000536496888 314118123 /nfs/dbraw/zinc/11/81/23/314118123.db2.gz JVVUQIPHUGWKON-MJGOQNOKSA-N 2 1 336.907 3.400 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](CC(C)C)C2)[C@H](C)C1 ZINC000537478709 314183927 /nfs/dbraw/zinc/18/39/27/314183927.db2.gz ZWHYTSKPDCFCRR-WTGUMLROSA-N 2 1 340.552 3.307 20 0 EGADMP C[C@@H](Cc1cc(Br)ccc1F)[NH2+]C1CC[NH+](C)CC1 ZINC000537938577 314218080 /nfs/dbraw/zinc/21/80/80/314218080.db2.gz FXFLDYFIYPOACT-NSHDSACASA-N 2 1 329.257 3.203 20 0 EGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(Cl)cc2)c2cccs2)CC1 ZINC000540480252 314383216 /nfs/dbraw/zinc/38/32/16/314383216.db2.gz JPHDIVQRINETSB-KRWDZBQOSA-N 2 1 349.931 3.480 20 0 EGADMP CCC(CC)(CC)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000542019267 314512982 /nfs/dbraw/zinc/51/29/82/314512982.db2.gz PPJAFGDUYCUCGL-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000133650964 454451263 /nfs/dbraw/zinc/45/12/63/454451263.db2.gz IZSQWDAIDZTJNK-XJKCOSOUSA-N 2 1 341.293 3.146 20 0 EGADMP c1cc(NC2CC[NH+](C3CCCCC3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000546052490 314808389 /nfs/dbraw/zinc/80/83/89/314808389.db2.gz WAPBWIJTGZOGRF-UHFFFAOYSA-N 2 1 343.519 3.098 20 0 EGADMP CCC(CC)(C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC ZINC000548486952 315016014 /nfs/dbraw/zinc/01/60/14/315016014.db2.gz KUYLZRQYJZXSNN-HKUYNNGSSA-N 2 1 346.515 3.466 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC[NH+](C2CCCC2)CC1)C1CCCCC1 ZINC000548721098 315039412 /nfs/dbraw/zinc/03/94/12/315039412.db2.gz GQDOKWAEPQRWNB-UHFFFAOYSA-N 2 1 335.536 3.118 20 0 EGADMP C[NH+](CCC(=O)N1CCC[N@@H+](C2CCCC2)CC1)C1CCCCC1 ZINC000548721098 315039415 /nfs/dbraw/zinc/03/94/15/315039415.db2.gz GQDOKWAEPQRWNB-UHFFFAOYSA-N 2 1 335.536 3.118 20 0 EGADMP C[NH+](CCC(=O)N1CCC[N@H+](C2CCCC2)CC1)C1CCCCC1 ZINC000548721098 315039418 /nfs/dbraw/zinc/03/94/18/315039418.db2.gz GQDOKWAEPQRWNB-UHFFFAOYSA-N 2 1 335.536 3.118 20 0 EGADMP C[C@H]1C[C@@H](CCNC(=O)CCCC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000548875927 315057823 /nfs/dbraw/zinc/05/78/23/315057823.db2.gz ZNRRSCKRSSUEKE-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@@H]1CO[C@H](C)C[NH+]1CCCCC[N@@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000555022874 315362363 /nfs/dbraw/zinc/36/23/63/315362363.db2.gz RQEGLBIEZIIEIT-MKXGPGLRSA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@@H]1CO[C@H](C)C[N@H+]1CCCCC[NH+]1C[C@@H](C)OC[C@@H]1CC ZINC000555022874 315362367 /nfs/dbraw/zinc/36/23/67/315362367.db2.gz RQEGLBIEZIIEIT-MKXGPGLRSA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@@H]1CO[C@H](C)C[N@@H+]1CCCCC[NH+]1C[C@@H](C)OC[C@@H]1CC ZINC000555022874 315362368 /nfs/dbraw/zinc/36/23/68/315362368.db2.gz RQEGLBIEZIIEIT-MKXGPGLRSA-N 2 1 326.525 3.155 20 0 EGADMP C[C@H](C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000556730374 315458624 /nfs/dbraw/zinc/45/86/24/315458624.db2.gz GRTVQHAUBHSTMO-IEBWSBKVSA-N 2 1 343.540 3.430 20 0 EGADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H](CC(N)=O)c2ccccc2)CC1 ZINC000560608311 315712493 /nfs/dbraw/zinc/71/24/93/315712493.db2.gz KLKHGMPAYAIKIJ-PWIZWCRZSA-N 2 1 343.515 3.236 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000564847279 316216819 /nfs/dbraw/zinc/21/68/19/316216819.db2.gz ZKBNMZPQYAHKKA-FQEVSTJZSA-N 2 1 346.902 3.485 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000565430479 316323661 /nfs/dbraw/zinc/32/36/61/316323661.db2.gz NUAKFPCGKVAPDR-UHFFFAOYSA-N 2 1 341.377 3.426 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000565430479 316323663 /nfs/dbraw/zinc/32/36/63/316323663.db2.gz NUAKFPCGKVAPDR-UHFFFAOYSA-N 2 1 341.377 3.426 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000565606098 316346569 /nfs/dbraw/zinc/34/65/69/316346569.db2.gz FSDTVMWYJKASGE-LJQANCHMSA-N 2 1 327.472 3.236 20 0 EGADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000154364653 454888977 /nfs/dbraw/zinc/88/89/77/454888977.db2.gz MCFKZRQIXJEFJE-AWEZNQCLSA-N 2 1 327.875 3.157 20 0 EGADMP Clc1ccc(-c2noc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000570842254 317115922 /nfs/dbraw/zinc/11/59/22/317115922.db2.gz CKHMUSZEYIAWSR-OAHLLOKOSA-N 2 1 346.862 3.212 20 0 EGADMP CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000570864442 317118494 /nfs/dbraw/zinc/11/84/94/317118494.db2.gz WGGZRIQHQAVRRR-HDICACEKSA-N 2 1 343.515 3.227 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)CC[NH2+]1 ZINC000571770153 317245519 /nfs/dbraw/zinc/24/55/19/317245519.db2.gz MDWQFYWTNDCGCK-JTDSTZFVSA-N 2 1 326.488 3.488 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000571770157 317245907 /nfs/dbraw/zinc/24/59/07/317245907.db2.gz NZRVECAKGHJOSM-HIFRSBDPSA-N 2 1 345.409 3.423 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCC3CCCC3)CC2)CC1 ZINC000571905967 317264819 /nfs/dbraw/zinc/26/48/19/317264819.db2.gz IBVVTQBDZRTNIM-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(OCC(F)F)cc3)C2)CC1 ZINC000572323953 317320177 /nfs/dbraw/zinc/32/01/77/317320177.db2.gz BFLXBECHMIBNEM-QGZVFWFLSA-N 2 1 338.442 3.494 20 0 EGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000574051266 317556748 /nfs/dbraw/zinc/55/67/48/317556748.db2.gz RXENAZASOJPWFL-UHFFFAOYSA-N 2 1 327.472 3.403 20 0 EGADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)cc1 ZINC000574994347 317660590 /nfs/dbraw/zinc/66/05/90/317660590.db2.gz XWGDGBXXGHBHJR-KRWDZBQOSA-N 2 1 340.471 3.234 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3Br)C[C@H]21 ZINC000228476712 456123688 /nfs/dbraw/zinc/12/36/88/456123688.db2.gz GZOWVNBQQJGZDD-PSOPSSQASA-N 2 1 327.241 3.147 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3Br)C[C@H]21 ZINC000228476712 456123692 /nfs/dbraw/zinc/12/36/92/456123692.db2.gz GZOWVNBQQJGZDD-PSOPSSQASA-N 2 1 327.241 3.147 20 0 EGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000177612186 323342687 /nfs/dbraw/zinc/34/26/87/323342687.db2.gz CVFFFRCHEGJYBE-LJQANCHMSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000178184368 323352291 /nfs/dbraw/zinc/35/22/91/323352291.db2.gz AKYXQIVVRIDCSP-ZETOZRRWSA-N 2 1 329.257 3.407 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000178184368 323352293 /nfs/dbraw/zinc/35/22/93/323352293.db2.gz AKYXQIVVRIDCSP-ZETOZRRWSA-N 2 1 329.257 3.407 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379676220 324241263 /nfs/dbraw/zinc/24/12/63/324241263.db2.gz YWEYUNKLCLJVGH-NZSAHSFTSA-N 2 1 345.531 3.180 20 0 EGADMP C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386483751 324267658 /nfs/dbraw/zinc/26/76/58/324267658.db2.gz IUAOAMYNMGXKGU-DZFGPLHGSA-N 2 1 336.479 3.490 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000579129370 325067869 /nfs/dbraw/zinc/06/78/69/325067869.db2.gz WHCRCCNKRWHKCM-MOPGFXCFSA-N 2 1 327.472 3.271 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ncc(Br)cc1F ZINC000579232616 325081028 /nfs/dbraw/zinc/08/10/28/325081028.db2.gz OTDONQYYJVLSCU-JTQLQIEISA-N 2 1 338.224 3.293 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCC3(C)C)CC2)CC1 ZINC000580658307 325280049 /nfs/dbraw/zinc/28/00/49/325280049.db2.gz KHRSVUIKZDQYKU-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CCN(C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000581437147 325361714 /nfs/dbraw/zinc/36/17/14/325361714.db2.gz CDASMPUNVWHAOV-FXAWDEMLSA-N 2 1 342.483 3.229 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](SC)C2)[C@@H](C)C1 ZINC000361523870 457769855 /nfs/dbraw/zinc/76/98/55/457769855.db2.gz HBIRCTAJMJCFQW-MLHJIOFPSA-N 2 1 328.566 3.387 20 0 EGADMP CCOCc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OC ZINC000180731215 455235959 /nfs/dbraw/zinc/23/59/59/455235959.db2.gz JVWZFFQPCGCENW-MJGOQNOKSA-N 2 1 332.488 3.148 20 0 EGADMP CCOCc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OC ZINC000180731215 455235962 /nfs/dbraw/zinc/23/59/62/455235962.db2.gz JVWZFFQPCGCENW-MJGOQNOKSA-N 2 1 332.488 3.148 20 0 EGADMP CCOCc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OC ZINC000180731215 455235967 /nfs/dbraw/zinc/23/59/67/455235967.db2.gz JVWZFFQPCGCENW-MJGOQNOKSA-N 2 1 332.488 3.148 20 0 EGADMP CCOCc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1OC ZINC000180731215 455235970 /nfs/dbraw/zinc/23/59/70/455235970.db2.gz JVWZFFQPCGCENW-MJGOQNOKSA-N 2 1 332.488 3.148 20 0 EGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000183377700 455285387 /nfs/dbraw/zinc/28/53/87/455285387.db2.gz CKJZUZBRRJMGCT-SJORKVTESA-N 2 1 348.487 3.011 20 0 EGADMP COc1cccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)co2)c1 ZINC000631828544 460574334 /nfs/dbraw/zinc/57/43/34/460574334.db2.gz RLEGQQYMXMHNHV-YCPHGPKFSA-N 2 1 329.444 3.155 20 0 EGADMP COc1cccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)co2)c1 ZINC000631828544 460574341 /nfs/dbraw/zinc/57/43/41/460574341.db2.gz RLEGQQYMXMHNHV-YCPHGPKFSA-N 2 1 329.444 3.155 20 0 EGADMP Cc1ccc(NC(=O)CN2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000265475430 455331791 /nfs/dbraw/zinc/33/17/91/455331791.db2.gz JCSFKYJHEWNRJP-UHFFFAOYSA-N 2 1 332.835 3.190 20 0 EGADMP [NH3+]Cc1cn([C@@H]2CC[N@@H+](Cc3ccc(C4CCCCC4)cc3)C2)nn1 ZINC000631845578 460579648 /nfs/dbraw/zinc/57/96/48/460579648.db2.gz FLHLWEGUSIGTHI-HXUWFJFHSA-N 2 1 339.487 3.232 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[NH+](C)C2CCC2)C1 ZINC000075841559 453930857 /nfs/dbraw/zinc/93/08/57/453930857.db2.gz MSWFAHCHCPGRHV-QGZVFWFLSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC000075841559 453930861 /nfs/dbraw/zinc/93/08/61/453930861.db2.gz MSWFAHCHCPGRHV-QGZVFWFLSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC000075841559 453930863 /nfs/dbraw/zinc/93/08/63/453930863.db2.gz MSWFAHCHCPGRHV-QGZVFWFLSA-N 2 1 343.515 3.019 20 0 EGADMP c1nc2ccccc2n1CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000084535926 453995620 /nfs/dbraw/zinc/99/56/20/453995620.db2.gz KDOYXRKFONAUSW-UHFFFAOYSA-N 2 1 334.467 3.291 20 0 EGADMP C[N@@H+](CCOc1cccc(C[NH2+]C2CCCC2)c1)C1CCOCC1 ZINC000076399883 453997302 /nfs/dbraw/zinc/99/73/02/453997302.db2.gz SKJFINGAIOUMMQ-UHFFFAOYSA-N 2 1 332.488 3.208 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCCC[NH+]1CCCC[C@@H]1C)c1ccccc1 ZINC000057912597 454156100 /nfs/dbraw/zinc/15/61/00/454156100.db2.gz SNJHANJZZVDURK-AZUAARDMSA-N 2 1 345.531 3.450 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000057912597 454156104 /nfs/dbraw/zinc/15/61/04/454156104.db2.gz SNJHANJZZVDURK-AZUAARDMSA-N 2 1 345.531 3.450 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000057912597 454156108 /nfs/dbraw/zinc/15/61/08/454156108.db2.gz SNJHANJZZVDURK-AZUAARDMSA-N 2 1 345.531 3.450 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000089552078 454161570 /nfs/dbraw/zinc/16/15/70/454161570.db2.gz IZQURMMKYTYKMZ-UKRRQHHQSA-N 2 1 330.394 3.404 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000089627784 454169868 /nfs/dbraw/zinc/16/98/68/454169868.db2.gz SFDDCBIWOOHROP-JFIYKMOQSA-N 2 1 327.472 3.322 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000089669478 454175668 /nfs/dbraw/zinc/17/56/68/454175668.db2.gz PKAAOJGSUNCPFC-BFYDXBDKSA-N 2 1 344.528 3.456 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000089728346 454184059 /nfs/dbraw/zinc/18/40/59/454184059.db2.gz LRQBCJIKZYFKAG-DVOMOZLQSA-N 2 1 348.878 3.251 20 0 EGADMP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(Cl)cccc1Cl ZINC000090079081 454274164 /nfs/dbraw/zinc/27/41/64/454274164.db2.gz UAXQYFFAFXYYBN-YWPYICTPSA-N 2 1 329.271 3.243 20 0 EGADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1c(Cl)cccc1Cl ZINC000090079081 454274167 /nfs/dbraw/zinc/27/41/67/454274167.db2.gz UAXQYFFAFXYYBN-YWPYICTPSA-N 2 1 329.271 3.243 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCNC(=O)C2CCC2)cc1 ZINC000090184513 454291637 /nfs/dbraw/zinc/29/16/37/454291637.db2.gz YFGSMHCLTQIBBQ-HNNXBMFYSA-N 2 1 340.471 3.138 20 0 EGADMP CC[N@@H+](CC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)C1CC1 ZINC000131873911 454294691 /nfs/dbraw/zinc/29/46/91/454294691.db2.gz LSYPCJRZAIGBFI-UHFFFAOYSA-N 2 1 343.515 3.019 20 0 EGADMP CC(C)[NH+](CCNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)C(C)C ZINC000079121908 454371831 /nfs/dbraw/zinc/37/18/31/454371831.db2.gz YIWGVGDQVJWRND-SFHVURJKSA-N 2 1 340.556 3.059 20 0 EGADMP CCc1nc2c(s1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCC2 ZINC000132971058 454381314 /nfs/dbraw/zinc/38/13/14/454381314.db2.gz HPBZNRDNIHCWNP-HOCLYGCPSA-N 2 1 349.544 3.173 20 0 EGADMP CCN(CC)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000079303708 454394603 /nfs/dbraw/zinc/39/46/03/454394603.db2.gz CULKWAHOZCDZFM-ZWKOTPCHSA-N 2 1 345.531 3.265 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000091285162 454422552 /nfs/dbraw/zinc/42/25/52/454422552.db2.gz JZTRGKYDCAHFHW-NRFANRHFSA-N 2 1 347.547 3.400 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1F ZINC000121443169 454435335 /nfs/dbraw/zinc/43/53/35/454435335.db2.gz JJFRXIAJNKOEDG-SNRMKQJTSA-N 2 1 341.430 3.367 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000121466740 454438860 /nfs/dbraw/zinc/43/88/60/454438860.db2.gz UNOKVTVIZXBFDN-GJZGRUSLSA-N 2 1 342.443 3.135 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000048271512 454465942 /nfs/dbraw/zinc/46/59/42/454465942.db2.gz MUUPNGPQBZBZDN-CALCHBBNSA-N 2 1 349.519 3.219 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)CCn1cc[nH+]c1C(C)C)c1ccco1 ZINC000074249065 454550487 /nfs/dbraw/zinc/55/04/87/454550487.db2.gz VAEFFISWIURFIP-INIZCTEOSA-N 2 1 346.475 3.189 20 0 EGADMP COc1ccccc1COC1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000092422517 454563607 /nfs/dbraw/zinc/56/36/07/454563607.db2.gz HSMKRFYKEMYIRF-UHFFFAOYSA-N 2 1 343.471 3.271 20 0 EGADMP CC[C@]1(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC000134600800 454566453 /nfs/dbraw/zinc/56/64/53/454566453.db2.gz JWRFCNCMWHCHHM-SLYNCCJLSA-N 2 1 343.515 3.030 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000104318531 454581665 /nfs/dbraw/zinc/58/16/65/454581665.db2.gz LIRJANQBTULQIA-LJQANCHMSA-N 2 1 329.488 3.138 20 0 EGADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000123531343 454648847 /nfs/dbraw/zinc/64/88/47/454648847.db2.gz BUGCUIBAZPRCCV-GMBSWORKSA-N 2 1 326.488 3.307 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+](C)CCCn1ccnc1 ZINC000124441708 454733295 /nfs/dbraw/zinc/73/32/95/454733295.db2.gz ARGDZUXEESVDAD-INIZCTEOSA-N 2 1 336.439 3.385 20 0 EGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)c(Cl)c1 ZINC000124462277 454736629 /nfs/dbraw/zinc/73/66/29/454736629.db2.gz QPFZTMZXOIMQOY-AWEZNQCLSA-N 2 1 341.902 3.403 20 0 EGADMP CC1(C)[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)[C@@H]2CCO[C@@H]21 ZINC000161966485 454740739 /nfs/dbraw/zinc/74/07/39/454740739.db2.gz ACMQWSFATXYRCF-UFYCRDLUSA-N 2 1 346.490 3.236 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000152977660 454749133 /nfs/dbraw/zinc/74/91/33/454749133.db2.gz VKOYWZVIPGRYMP-UKAVVXHISA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152977660 454749136 /nfs/dbraw/zinc/74/91/36/454749136.db2.gz VKOYWZVIPGRYMP-UKAVVXHISA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152977660 454749139 /nfs/dbraw/zinc/74/91/39/454749139.db2.gz VKOYWZVIPGRYMP-UKAVVXHISA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000152977660 454749144 /nfs/dbraw/zinc/74/91/44/454749144.db2.gz VKOYWZVIPGRYMP-UKAVVXHISA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000152977660 454749146 /nfs/dbraw/zinc/74/91/46/454749146.db2.gz VKOYWZVIPGRYMP-UKAVVXHISA-N 3 1 329.532 3.359 20 0 EGADMP CCC(CC)[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000162213441 454759035 /nfs/dbraw/zinc/75/90/35/454759035.db2.gz CADNNSMRCUKGJQ-FQEVSTJZSA-N 2 1 336.495 3.219 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@H]4OCC[C@@H]43)CC2)cc1 ZINC000124898453 454780656 /nfs/dbraw/zinc/78/06/56/454780656.db2.gz LLNIUAVWEMDZEE-NJDAHSKKSA-N 2 1 328.500 3.241 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000153750718 454828641 /nfs/dbraw/zinc/82/86/41/454828641.db2.gz DDNFGTQSYPPASD-KDOFPFPSSA-N 2 1 329.419 3.443 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000153750718 454828646 /nfs/dbraw/zinc/82/86/46/454828646.db2.gz DDNFGTQSYPPASD-KDOFPFPSSA-N 2 1 329.419 3.443 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000635011843 460656121 /nfs/dbraw/zinc/65/61/21/460656121.db2.gz IAMFJGWPAKNXHB-XSDIEEQYSA-N 2 1 327.516 3.080 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000635011843 460656127 /nfs/dbraw/zinc/65/61/27/460656127.db2.gz IAMFJGWPAKNXHB-XSDIEEQYSA-N 2 1 327.516 3.080 20 0 EGADMP CC(C)n1ccnc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177510669 454872088 /nfs/dbraw/zinc/87/20/88/454872088.db2.gz HMOKMHIQFZFTSU-HDICACEKSA-N 2 1 348.535 3.175 20 0 EGADMP CC(C)n1ccnc1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177510669 454872090 /nfs/dbraw/zinc/87/20/90/454872090.db2.gz HMOKMHIQFZFTSU-HDICACEKSA-N 2 1 348.535 3.175 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000164019262 454872523 /nfs/dbraw/zinc/87/25/23/454872523.db2.gz XGCOPWXVXSUVBV-DBXWQHBBSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000164019262 454872527 /nfs/dbraw/zinc/87/25/27/454872527.db2.gz XGCOPWXVXSUVBV-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000164019262 454872529 /nfs/dbraw/zinc/87/25/29/454872529.db2.gz XGCOPWXVXSUVBV-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000164019262 454872532 /nfs/dbraw/zinc/87/25/32/454872532.db2.gz XGCOPWXVXSUVBV-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2(C[NH3+])CCCC2)cc1 ZINC000164585864 454885563 /nfs/dbraw/zinc/88/55/63/454885563.db2.gz SVMQFZCKFOTYJF-KRWDZBQOSA-N 2 1 343.515 3.196 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000246430243 455489135 /nfs/dbraw/zinc/48/91/35/455489135.db2.gz NVCXUXSGAQOASI-ZFWWWQNUSA-N 2 1 330.394 3.448 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000178113130 454935793 /nfs/dbraw/zinc/93/57/93/454935793.db2.gz UUXFQHMQHWMHIL-DSFVOBFGSA-N 2 1 336.545 3.443 20 0 EGADMP Cc1ccc(-c2noc(CCC[N@H+]3CC[C@@H](C[NH+](C)C)C3)n2)cc1F ZINC000114198161 454946806 /nfs/dbraw/zinc/94/68/06/454946806.db2.gz XHKPWGROTFOFPJ-HNNXBMFYSA-N 2 1 346.450 3.000 20 0 EGADMP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@@H](C[NH+](C)C)C3)n2)cc1F ZINC000114198161 454946812 /nfs/dbraw/zinc/94/68/12/454946812.db2.gz XHKPWGROTFOFPJ-HNNXBMFYSA-N 2 1 346.450 3.000 20 0 EGADMP c1sc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)nc1-c1ccncc1 ZINC000246474812 455496246 /nfs/dbraw/zinc/49/62/46/455496246.db2.gz QVOLFPDIGBJKLE-IRXDYDNUSA-N 2 1 342.512 3.354 20 0 EGADMP C[C@@H]1CCN(C(=O)CCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000178840786 454983174 /nfs/dbraw/zinc/98/31/74/454983174.db2.gz VVIWRNLJLQBMKW-GOSISDBHSA-N 2 1 331.504 3.019 20 0 EGADMP COc1ccc(CC[N@@H+](CC(C)C)CC2CC[NH2+]CC2)cc1OC ZINC000178973906 454994806 /nfs/dbraw/zinc/99/48/06/454994806.db2.gz JXFCZZJHFYLSJP-UHFFFAOYSA-N 2 1 334.504 3.204 20 0 EGADMP C[NH+](C)CCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000151927363 455050044 /nfs/dbraw/zinc/05/00/44/455050044.db2.gz AISSHUZOXDYSES-CQSZACIVSA-N 2 1 327.266 3.204 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000623656203 460663215 /nfs/dbraw/zinc/66/32/15/460663215.db2.gz PAPZQBWTHBSNMR-KRWDZBQOSA-N 2 1 326.444 3.090 20 0 EGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000180404317 455164781 /nfs/dbraw/zinc/16/47/81/455164781.db2.gz IKCPEXAGPPQKTQ-KRWDZBQOSA-N 3 1 333.520 3.150 20 0 EGADMP CC(C)N1CCC([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000180404317 455164785 /nfs/dbraw/zinc/16/47/85/455164785.db2.gz IKCPEXAGPPQKTQ-KRWDZBQOSA-N 2 1 333.520 3.150 20 0 EGADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc(OC)c1OC ZINC000237271268 455166462 /nfs/dbraw/zinc/16/64/62/455166462.db2.gz RGDGYVQTGRPQKX-AWEZNQCLSA-N 2 1 336.476 3.236 20 0 EGADMP CCCN1CCN(c2ccc(NCc3cncn3C)cc2Cl)CC1 ZINC000157374091 455188841 /nfs/dbraw/zinc/18/88/41/455188841.db2.gz IZTZFJIVYCDPIS-UHFFFAOYSA-N 2 1 347.894 3.218 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237520684 455191099 /nfs/dbraw/zinc/19/10/99/455191099.db2.gz BIEUGLPFJADJJP-UWJYYQICSA-N 2 1 343.515 3.067 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(C[NH3+])o3)cc2)C1 ZINC000237676315 455206613 /nfs/dbraw/zinc/20/66/13/455206613.db2.gz FYLHHFQCZYGMDW-AWEZNQCLSA-N 2 1 327.428 3.223 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CC2([NH3+])CCC2)C1 ZINC000237684878 455207421 /nfs/dbraw/zinc/20/74/21/455207421.db2.gz WZMCHRNFAIGAMT-CALCHBBNSA-N 2 1 343.515 3.052 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000183440832 455292544 /nfs/dbraw/zinc/29/25/44/455292544.db2.gz TUFHYFJKTZPSSK-IAGOWNOFSA-N 2 1 339.524 3.098 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cc1 ZINC000180640585 455216130 /nfs/dbraw/zinc/21/61/30/455216130.db2.gz YIXRUAXUTISQOW-YWZLYKJASA-N 2 1 328.431 3.243 20 0 EGADMP CC(C)OC(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000173491372 455292951 /nfs/dbraw/zinc/29/29/51/455292951.db2.gz BJTZPZODNVSTCT-MJGOQNOKSA-N 2 1 332.488 3.313 20 0 EGADMP CC(C)OC(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000173491372 455292957 /nfs/dbraw/zinc/29/29/57/455292957.db2.gz BJTZPZODNVSTCT-MJGOQNOKSA-N 2 1 332.488 3.313 20 0 EGADMP CC(C)OC(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000173491372 455292961 /nfs/dbraw/zinc/29/29/61/455292961.db2.gz BJTZPZODNVSTCT-MJGOQNOKSA-N 2 1 332.488 3.313 20 0 EGADMP CC(C)OC(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000173491372 455292966 /nfs/dbraw/zinc/29/29/66/455292966.db2.gz BJTZPZODNVSTCT-MJGOQNOKSA-N 2 1 332.488 3.313 20 0 EGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000157662236 455218822 /nfs/dbraw/zinc/21/88/22/455218822.db2.gz GAPBTCWPVPUFOA-WAOWUJCRSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)C[C@@H]1C ZINC000157662236 455218825 /nfs/dbraw/zinc/21/88/25/455218825.db2.gz GAPBTCWPVPUFOA-WAOWUJCRSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)C[C@@H]1C ZINC000157662236 455218828 /nfs/dbraw/zinc/21/88/28/455218828.db2.gz GAPBTCWPVPUFOA-WAOWUJCRSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000157662236 455218832 /nfs/dbraw/zinc/21/88/32/455218832.db2.gz GAPBTCWPVPUFOA-WAOWUJCRSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000157662236 455218836 /nfs/dbraw/zinc/21/88/36/455218836.db2.gz GAPBTCWPVPUFOA-WAOWUJCRSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000158179323 455277914 /nfs/dbraw/zinc/27/79/14/455277914.db2.gz SUUJOKQMAXMTCY-BVYCBKJFSA-N 2 1 338.495 3.233 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000158179323 455277916 /nfs/dbraw/zinc/27/79/16/455277916.db2.gz SUUJOKQMAXMTCY-BVYCBKJFSA-N 2 1 338.495 3.233 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000158188539 455278494 /nfs/dbraw/zinc/27/84/94/455278494.db2.gz KRAQWQDMWDNZRS-QGZVFWFLSA-N 2 1 335.923 3.236 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccncc1 ZINC000245513495 455318882 /nfs/dbraw/zinc/31/88/82/455318882.db2.gz CRQPEBZGWMFMSP-IAGOWNOFSA-N 2 1 325.456 3.153 20 0 EGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000245525771 455321135 /nfs/dbraw/zinc/32/11/35/455321135.db2.gz AEGSBLWSNIJUCC-MGNMYUMUSA-N 2 1 339.524 3.237 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000245525771 455321137 /nfs/dbraw/zinc/32/11/37/455321137.db2.gz AEGSBLWSNIJUCC-MGNMYUMUSA-N 2 1 339.524 3.237 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245537334 455324339 /nfs/dbraw/zinc/32/43/39/455324339.db2.gz IWDAGWPDYDXWGB-PZJWPPBQSA-N 2 1 346.515 3.408 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245537334 455324343 /nfs/dbraw/zinc/32/43/43/455324343.db2.gz IWDAGWPDYDXWGB-PZJWPPBQSA-N 2 1 346.515 3.408 20 0 EGADMP C[N@H+]1CCC[C@H]2CN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC[C@@H]21 ZINC000158798165 455330028 /nfs/dbraw/zinc/33/00/28/455330028.db2.gz ZYUKFANLFNWBFQ-HOCLYGCPSA-N 2 1 346.862 3.306 20 0 EGADMP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000181721335 455376671 /nfs/dbraw/zinc/37/66/71/455376671.db2.gz IFNVMZZWJPUIET-HOTGVXAUSA-N 2 1 329.488 3.282 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000245989710 455410367 /nfs/dbraw/zinc/41/03/67/455410367.db2.gz QNPIHLBIRZJPER-BBWFWOEESA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCC1)c1ccccc1 ZINC000601007946 460673395 /nfs/dbraw/zinc/67/33/95/460673395.db2.gz SNMKWTMQOCRZAY-PKOBYXMFSA-N 2 1 343.515 3.251 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000182258770 455474946 /nfs/dbraw/zinc/47/49/46/455474946.db2.gz FAEDGEPGQNIRNY-FPOVZHCZSA-N 2 1 340.442 3.169 20 0 EGADMP C[C@H](c1cccs1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184948807 455477867 /nfs/dbraw/zinc/47/78/67/455477867.db2.gz KXHLHAXWMRGBLL-WBVHZDCISA-N 2 1 345.512 3.160 20 0 EGADMP C[C@H](c1cccs1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184948807 455477870 /nfs/dbraw/zinc/47/78/70/455477870.db2.gz KXHLHAXWMRGBLL-WBVHZDCISA-N 2 1 345.512 3.160 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)NC2CCCC2)C1 ZINC000246370654 455478603 /nfs/dbraw/zinc/47/86/03/455478603.db2.gz LQTXZHVSZFNDFV-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000246370654 455478607 /nfs/dbraw/zinc/47/86/07/455478607.db2.gz LQTXZHVSZFNDFV-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000246370654 455478612 /nfs/dbraw/zinc/47/86/12/455478612.db2.gz LQTXZHVSZFNDFV-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246440835 455490938 /nfs/dbraw/zinc/49/09/38/455490938.db2.gz NISPYSYNDAISMM-RXVVDRJESA-N 2 1 338.499 3.405 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246491723 455500284 /nfs/dbraw/zinc/50/02/84/455500284.db2.gz IJGAWIWUGQMYIK-DFQSSKMNSA-N 2 1 343.515 3.030 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246491723 455500288 /nfs/dbraw/zinc/50/02/88/455500288.db2.gz IJGAWIWUGQMYIK-DFQSSKMNSA-N 2 1 343.515 3.030 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246491723 455500291 /nfs/dbraw/zinc/50/02/91/455500291.db2.gz IJGAWIWUGQMYIK-DFQSSKMNSA-N 2 1 343.515 3.030 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)cn1 ZINC000185202207 455520595 /nfs/dbraw/zinc/52/05/95/455520595.db2.gz ZEMDRBIHFUVDPU-IRXDYDNUSA-N 2 1 328.460 3.257 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000185205758 455520793 /nfs/dbraw/zinc/52/07/93/455520793.db2.gz LWXYOEAQPNDSKS-OAHLLOKOSA-N 2 1 340.254 3.278 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000191823960 455522997 /nfs/dbraw/zinc/52/29/97/455522997.db2.gz VMSJOZHRZDEWQU-CQSZACIVSA-N 2 1 332.414 3.271 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000191823960 455523002 /nfs/dbraw/zinc/52/30/02/455523002.db2.gz VMSJOZHRZDEWQU-CQSZACIVSA-N 2 1 332.414 3.271 20 0 EGADMP CC[NH+](CC)CCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000191819150 455523089 /nfs/dbraw/zinc/52/30/89/455523089.db2.gz IBKCHHLHUSBXTF-UHFFFAOYSA-N 3 1 332.536 3.352 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000246913562 455535292 /nfs/dbraw/zinc/53/52/92/455535292.db2.gz FZSYLXUAIYJGIV-BBRMVZONSA-N 2 1 330.394 3.404 20 0 EGADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000182630637 455556121 /nfs/dbraw/zinc/55/61/21/455556121.db2.gz BMLAMYJCKGTSJL-IEBWSBKVSA-N 2 1 346.515 3.261 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000247119845 455561543 /nfs/dbraw/zinc/56/15/43/455561543.db2.gz RAVWHMPNAXHMPI-CVEARBPZSA-N 2 1 344.503 3.353 20 0 EGADMP C[C@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[N@H+]1C1CC1 ZINC000267987092 455575542 /nfs/dbraw/zinc/57/55/42/455575542.db2.gz PMNHVRYJMMZTQJ-LPHOPBHVSA-N 2 1 341.499 3.028 20 0 EGADMP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000247228938 455576533 /nfs/dbraw/zinc/57/65/33/455576533.db2.gz WVTIHBSTKSGYPV-ZHALLVOQSA-N 2 1 334.504 3.229 20 0 EGADMP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247228938 455576535 /nfs/dbraw/zinc/57/65/35/455576535.db2.gz WVTIHBSTKSGYPV-ZHALLVOQSA-N 2 1 334.504 3.229 20 0 EGADMP C[NH+](C)CCOc1ccc(NC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000268085173 455590051 /nfs/dbraw/zinc/59/00/51/455590051.db2.gz HLPHKKWOSCKXLV-UHFFFAOYSA-N 2 1 347.484 3.002 20 0 EGADMP CC(=O)Nc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185693385 455598404 /nfs/dbraw/zinc/59/84/04/455598404.db2.gz GCZPSMNQYXNVPT-YJBOKZPZSA-N 2 1 329.488 3.388 20 0 EGADMP CC(=O)Nc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185693385 455598411 /nfs/dbraw/zinc/59/84/11/455598411.db2.gz GCZPSMNQYXNVPT-YJBOKZPZSA-N 2 1 329.488 3.388 20 0 EGADMP C[C@H](C(=O)Nc1cccc(Cl)c1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247439564 455600570 /nfs/dbraw/zinc/60/05/70/455600570.db2.gz ISCFOIMGFQQAPQ-CPUCHLNUSA-N 2 1 346.862 3.447 20 0 EGADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185718889 455605133 /nfs/dbraw/zinc/60/51/33/455605133.db2.gz SQWKOIAQCQWRQY-CABCVRRESA-N 2 1 333.451 3.007 20 0 EGADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185718889 455605135 /nfs/dbraw/zinc/60/51/35/455605135.db2.gz SQWKOIAQCQWRQY-CABCVRRESA-N 2 1 333.451 3.007 20 0 EGADMP COc1ccc(OCC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185758684 455615127 /nfs/dbraw/zinc/61/51/27/455615127.db2.gz ISOZWNCKUMYNII-IRXDYDNUSA-N 2 1 332.488 3.317 20 0 EGADMP COc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3C)nc1)C2 ZINC000192439755 455616091 /nfs/dbraw/zinc/61/60/91/455616091.db2.gz BYSLRXDEAPHCAI-GOSISDBHSA-N 2 1 348.450 3.231 20 0 EGADMP C[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000192590572 455646664 /nfs/dbraw/zinc/64/66/64/455646664.db2.gz BKYBTCWXELHTKX-JXFKEZNVSA-N 2 1 328.456 3.426 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc(C)ccc1OC ZINC000271469088 455648571 /nfs/dbraw/zinc/64/85/71/455648571.db2.gz HDXRSCLCWNZBNN-ZCNNSNEGSA-N 2 1 346.515 3.422 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)[C@H](C)C1 ZINC000247890596 455652534 /nfs/dbraw/zinc/65/25/34/455652534.db2.gz FGLJMFGZZARGPQ-JRGCBEDISA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(OC)c2)N2CCCC2)[C@H](C)C1 ZINC000247890596 455652535 /nfs/dbraw/zinc/65/25/35/455652535.db2.gz FGLJMFGZZARGPQ-JRGCBEDISA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(OC)c2)N2CCCC2)[C@H](C)C1 ZINC000247890596 455652539 /nfs/dbraw/zinc/65/25/39/455652539.db2.gz FGLJMFGZZARGPQ-JRGCBEDISA-N 2 1 345.531 3.152 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000284229835 455654242 /nfs/dbraw/zinc/65/42/42/455654242.db2.gz UNFANLQQNZBCPG-SFHVURJKSA-N 2 1 347.503 3.360 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000247946626 455658741 /nfs/dbraw/zinc/65/87/41/455658741.db2.gz HVJYAKLHDQNPAD-GHTZIAJQSA-N 3 1 329.532 3.492 20 0 EGADMP CC[N@@H+]1CC[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000247946626 455658746 /nfs/dbraw/zinc/65/87/46/455658746.db2.gz HVJYAKLHDQNPAD-GHTZIAJQSA-N 2 1 329.532 3.492 20 0 EGADMP CC[N@H+]1CC[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000247946626 455658751 /nfs/dbraw/zinc/65/87/51/455658751.db2.gz HVJYAKLHDQNPAD-GHTZIAJQSA-N 2 1 329.532 3.492 20 0 EGADMP CCN1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000247946626 455658757 /nfs/dbraw/zinc/65/87/57/455658757.db2.gz HVJYAKLHDQNPAD-GHTZIAJQSA-N 2 1 329.532 3.492 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCNc2ncc(Cl)cc2Cl)[C@@H](C)C1 ZINC000247955736 455660709 /nfs/dbraw/zinc/66/07/09/455660709.db2.gz FNWWXOPLIGAUGL-SMDDNHRTSA-N 2 1 331.291 3.120 20 0 EGADMP CC[N@H+]1CC[C@@H](NCC2([NH+]3CCSCC3)CCCCC2)[C@@H](C)C1 ZINC000247962815 455660845 /nfs/dbraw/zinc/66/08/45/455660845.db2.gz GKOABNYTRJIBHR-ZWKOTPCHSA-N 2 1 339.593 3.058 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]CC2(N3CCSCC3)CCCCC2)[C@@H](C)C1 ZINC000247962815 455660847 /nfs/dbraw/zinc/66/08/47/455660847.db2.gz GKOABNYTRJIBHR-ZWKOTPCHSA-N 2 1 339.593 3.058 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(N3CCSCC3)CCCCC2)[C@@H](C)C1 ZINC000247962815 455660850 /nfs/dbraw/zinc/66/08/50/455660850.db2.gz GKOABNYTRJIBHR-ZWKOTPCHSA-N 2 1 339.593 3.058 20 0 EGADMP COc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000248062700 455677728 /nfs/dbraw/zinc/67/77/28/455677728.db2.gz YXFOXFIKUODBDI-PZBISTMVSA-N 2 1 345.531 3.150 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)N2CCCC2)cc1 ZINC000248062700 455677730 /nfs/dbraw/zinc/67/77/30/455677730.db2.gz YXFOXFIKUODBDI-PZBISTMVSA-N 2 1 345.531 3.150 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)N2CCCC2)cc1 ZINC000248062700 455677736 /nfs/dbraw/zinc/67/77/36/455677736.db2.gz YXFOXFIKUODBDI-PZBISTMVSA-N 2 1 345.531 3.150 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(OC(F)F)cc1 ZINC000248130961 455686072 /nfs/dbraw/zinc/68/60/72/455686072.db2.gz OKOMLOHBQZNPGB-HOCLYGCPSA-N 2 1 342.430 3.176 20 0 EGADMP C[C@@H]1C[C@H](NC2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268775878 455712587 /nfs/dbraw/zinc/71/25/87/455712587.db2.gz VTUWREHBNUHQLY-YLJYHZDGSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248394277 455712657 /nfs/dbraw/zinc/71/26/57/455712657.db2.gz FMENDGNLYWUOOC-OKZBNKHCSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(C)ccc4ccccc43)C2)CC1 ZINC000268888381 455719088 /nfs/dbraw/zinc/71/90/88/455719088.db2.gz JGFDOJSRHKSAEY-HXUWFJFHSA-N 2 1 337.511 3.360 20 0 EGADMP CCOc1ccc(NC(=O)CC[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000268915710 455729353 /nfs/dbraw/zinc/72/93/53/455729353.db2.gz QAFROJQORZXPJF-UHFFFAOYSA-N 2 1 347.503 3.219 20 0 EGADMP CC[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000193221686 455747541 /nfs/dbraw/zinc/74/75/41/455747541.db2.gz MXKDEYSRZKWBPM-GOSISDBHSA-N 2 1 349.906 3.077 20 0 EGADMP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000193221686 455747549 /nfs/dbraw/zinc/74/75/49/455747549.db2.gz MXKDEYSRZKWBPM-GOSISDBHSA-N 2 1 349.906 3.077 20 0 EGADMP COc1ccccc1[C@@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)OC(C)C ZINC000186377462 455755841 /nfs/dbraw/zinc/75/58/41/455755841.db2.gz JTMRTZNPUURZEP-MBOZVWFJSA-N 2 1 332.488 3.378 20 0 EGADMP COc1ccccc1[C@@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)OC(C)C ZINC000186377462 455755846 /nfs/dbraw/zinc/75/58/46/455755846.db2.gz JTMRTZNPUURZEP-MBOZVWFJSA-N 2 1 332.488 3.378 20 0 EGADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C(=O)N1CCCC1 ZINC000284977939 455771823 /nfs/dbraw/zinc/77/18/23/455771823.db2.gz GANFBHRNPCPITF-KKXNLOMOSA-N 2 1 343.515 3.030 20 0 EGADMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OCCC(C)C ZINC000271859023 455789461 /nfs/dbraw/zinc/78/94/61/455789461.db2.gz VNKMNAGTRNFDCD-UHFFFAOYSA-N 2 1 332.488 3.472 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000285165520 455799316 /nfs/dbraw/zinc/79/93/16/455799316.db2.gz ATPUFTPCZYGAKC-UHFFFAOYSA-N 2 1 327.350 3.265 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000285165520 455799320 /nfs/dbraw/zinc/79/93/20/455799320.db2.gz ATPUFTPCZYGAKC-UHFFFAOYSA-N 2 1 327.350 3.265 20 0 EGADMP CCn1cc(CC[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000285236640 455810692 /nfs/dbraw/zinc/81/06/92/455810692.db2.gz YJDFTLZKPLAOCS-WGMWDUQUSA-N 2 1 340.515 3.192 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C4CCC4)cc3)C2)CC1 ZINC000278306527 455813055 /nfs/dbraw/zinc/81/30/55/455813055.db2.gz AVUUNSHHMKAHDY-OAQYLSRUSA-N 2 1 327.516 3.166 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000616995208 460692419 /nfs/dbraw/zinc/69/24/19/460692419.db2.gz NAPUBBMUUQOJMD-MJGOQNOKSA-N 2 1 345.531 3.306 20 0 EGADMP CCC(=O)N1CC[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000285407325 455838467 /nfs/dbraw/zinc/83/84/67/455838467.db2.gz XNEZRYSNVPQTPL-IOJLRTSASA-N 2 1 343.515 3.030 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4CCOCC4)[C@@H]3C2)cc1 ZINC000285507990 455860919 /nfs/dbraw/zinc/86/09/19/455860919.db2.gz ALIYATOSSHTNKY-TYPHKJRUSA-N 2 1 328.500 3.446 20 0 EGADMP CCOC1CC(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000285644148 455888679 /nfs/dbraw/zinc/88/86/79/455888679.db2.gz RZAXPVNTPXUPAQ-XVAXZDLZSA-N 2 1 328.500 3.400 20 0 EGADMP CCOC1CC(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000285644148 455888684 /nfs/dbraw/zinc/88/86/84/455888684.db2.gz RZAXPVNTPXUPAQ-XVAXZDLZSA-N 2 1 328.500 3.400 20 0 EGADMP CCOC1CC(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000285644148 455888686 /nfs/dbraw/zinc/88/86/86/455888686.db2.gz RZAXPVNTPXUPAQ-XVAXZDLZSA-N 2 1 328.500 3.400 20 0 EGADMP Cc1cc(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000272251438 455892623 /nfs/dbraw/zinc/89/26/23/455892623.db2.gz CCDHTKWMZBOXRB-FUHWJXTLSA-N 2 1 338.455 3.422 20 0 EGADMP C[N@H+]1CCC[C@H]1CCN1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744850 455908079 /nfs/dbraw/zinc/90/80/79/455908079.db2.gz YJDHPMPJUXZBRN-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@H]1CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285744850 455908085 /nfs/dbraw/zinc/90/80/85/455908085.db2.gz YJDHPMPJUXZBRN-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@H]1CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285744850 455908088 /nfs/dbraw/zinc/90/80/88/455908088.db2.gz YJDHPMPJUXZBRN-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)CO2 ZINC000296444845 455939770 /nfs/dbraw/zinc/93/97/70/455939770.db2.gz MWCCPMCVFSQAPS-RYRKJORJSA-N 2 1 344.499 3.241 20 0 EGADMP C[C@H](Cc1ccccc1F)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000187705406 455942155 /nfs/dbraw/zinc/94/21/55/455942155.db2.gz AEXOWYNCBLKWAU-QGZVFWFLSA-N 2 1 342.458 3.379 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000285926242 455943279 /nfs/dbraw/zinc/94/32/79/455943279.db2.gz CQZQCEHGJCMQOL-CVEARBPZSA-N 2 1 345.487 3.036 20 0 EGADMP C[C@@]1(C[NH3+])CC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000261774252 455944571 /nfs/dbraw/zinc/94/45/71/455944571.db2.gz MMLKDZDXBGUOEH-NRFANRHFSA-N 2 1 337.467 3.353 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)c4c(c3)OCCCO4)C[C@@H]21 ZINC000261897124 455967315 /nfs/dbraw/zinc/96/73/15/455967315.db2.gz OKNBIDLZULRXSO-IJEWVQPXSA-N 2 1 336.863 3.061 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)c4c(c3)OCCCO4)C[C@@H]21 ZINC000261897124 455967318 /nfs/dbraw/zinc/96/73/18/455967318.db2.gz OKNBIDLZULRXSO-IJEWVQPXSA-N 2 1 336.863 3.061 20 0 EGADMP Clc1cccc(Cl)c1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261910009 455969670 /nfs/dbraw/zinc/96/96/70/455969670.db2.gz IVBBIKMTOBKBDK-XYPHTWIQSA-N 2 1 343.298 3.283 20 0 EGADMP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000261944957 455975369 /nfs/dbraw/zinc/97/53/69/455975369.db2.gz NGINIVXNVZUTAD-NHYWBVRUSA-N 2 1 338.377 3.265 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000261944957 455975373 /nfs/dbraw/zinc/97/53/73/455975373.db2.gz NGINIVXNVZUTAD-NHYWBVRUSA-N 2 1 338.377 3.265 20 0 EGADMP CC(C)(CCCO)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000272571086 455997662 /nfs/dbraw/zinc/99/76/62/455997662.db2.gz PBMYXTFLHJGBIP-HSALFYBXSA-N 2 1 330.516 3.285 20 0 EGADMP Cc1ccc2ccccc2c1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000272569969 455997697 /nfs/dbraw/zinc/99/76/97/455997697.db2.gz VFFCPDSVIUSTQQ-UHFFFAOYSA-N 2 1 325.500 3.218 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC000270676676 456012333 /nfs/dbraw/zinc/01/23/33/456012333.db2.gz XQSZWKFDAYYJTD-GFCCVEGCSA-N 2 1 331.851 3.158 20 0 EGADMP Cc1ccc([C@H](O)C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000272657439 456027938 /nfs/dbraw/zinc/02/79/38/456027938.db2.gz LZJTYXRPFUMVBX-YTQUADARSA-N 2 1 328.456 3.122 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCSCCCO)CC1 ZINC000286365486 456034264 /nfs/dbraw/zinc/03/42/64/456034264.db2.gz ZIVFZVXHAVLTHG-UHFFFAOYSA-N 2 1 336.545 3.135 20 0 EGADMP COC(=O)c1cccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1Cl ZINC000296838024 456049951 /nfs/dbraw/zinc/04/99/51/456049951.db2.gz XAINYBURYOTEDS-SFHVURJKSA-N 2 1 336.863 3.044 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccnc1Cl ZINC000272772247 456065740 /nfs/dbraw/zinc/06/57/40/456065740.db2.gz SWUUYZMQJIBRJC-YOEHRIQHSA-N 2 1 345.874 3.152 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccnc1Cl ZINC000272772247 456065743 /nfs/dbraw/zinc/06/57/43/456065743.db2.gz SWUUYZMQJIBRJC-YOEHRIQHSA-N 2 1 345.874 3.152 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000272903604 456107534 /nfs/dbraw/zinc/10/75/34/456107534.db2.gz PZWXKTHQLCZROP-VIFPVBQESA-N 2 1 349.788 3.023 20 0 EGADMP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000263219956 456111667 /nfs/dbraw/zinc/11/16/67/456111667.db2.gz LSGJIHYSBLLATI-LMNJBCLMSA-N 2 1 343.515 3.017 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2([S@@](C)=O)CCC2)cc1 ZINC000281108266 456135399 /nfs/dbraw/zinc/13/53/99/456135399.db2.gz RKNPZCGGDWUNQX-QKFKETGDSA-N 2 1 331.485 3.133 20 0 EGADMP Cn1c2cc(Cl)ccc2nc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000271143329 456139912 /nfs/dbraw/zinc/13/99/12/456139912.db2.gz QHCQRCKEVAWBAG-UHFFFAOYSA-N 2 1 334.895 3.390 20 0 EGADMP C[NH+](C)CCC1CC[NH+](Cc2ccn(-c3ccccc3F)n2)CC1 ZINC000188876845 456158477 /nfs/dbraw/zinc/15/84/77/456158477.db2.gz XPSJXPODJIHHKV-UHFFFAOYSA-N 2 1 330.451 3.175 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236635146 456161041 /nfs/dbraw/zinc/16/10/41/456161041.db2.gz DLTWOEBERZNDPW-PKOBYXMFSA-N 2 1 345.531 3.263 20 0 EGADMP Fc1cc(Cl)ccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000188967282 456185214 /nfs/dbraw/zinc/18/52/14/456185214.db2.gz ZLMVUNBYUONSJT-UHFFFAOYSA-N 2 1 326.843 3.023 20 0 EGADMP COCc1cc(CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000297335138 456190368 /nfs/dbraw/zinc/19/03/68/456190368.db2.gz DTBUFARUJZUHFA-GOSISDBHSA-N 2 1 343.471 3.213 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000271248351 456191907 /nfs/dbraw/zinc/19/19/07/456191907.db2.gz QYKQJZQFBDXVGY-UHFFFAOYSA-N 2 1 342.270 3.383 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000271248351 456191914 /nfs/dbraw/zinc/19/19/14/456191914.db2.gz QYKQJZQFBDXVGY-UHFFFAOYSA-N 2 1 342.270 3.383 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000289949667 456193245 /nfs/dbraw/zinc/19/32/45/456193245.db2.gz MCFIDQVKJPJVHN-DBVUQKKJSA-N 2 1 343.515 3.065 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000237153009 456239342 /nfs/dbraw/zinc/23/93/42/456239342.db2.gz CAUCERVRCDIREP-OAQYLSRUSA-N 2 1 343.515 3.067 20 0 EGADMP Cc1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000342872604 456286526 /nfs/dbraw/zinc/28/65/26/456286526.db2.gz DLTFUNMSMOIBLJ-UHFFFAOYSA-N 2 1 336.483 3.273 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCc1ncc(C[NH+](C)C)s1 ZINC000352765430 456286720 /nfs/dbraw/zinc/28/67/20/456286720.db2.gz KKJPTPWQRNCFSF-RDJZCZTQSA-N 2 1 338.565 3.195 20 0 EGADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@H]2CCCOC2)CC3)cc1 ZINC000342872540 456286763 /nfs/dbraw/zinc/28/67/63/456286763.db2.gz CKBIWOSTHIXVAD-HXUWFJFHSA-N 2 1 328.500 3.401 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2-n2cccn2)C[C@H]1c1ccccc1 ZINC000340173127 456288281 /nfs/dbraw/zinc/28/82/81/456288281.db2.gz OOGSKDGBUHSTBG-PMACEKPBSA-N 2 1 347.466 3.192 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2-n2cccn2)C[C@H]1c1ccccc1 ZINC000340173127 456288288 /nfs/dbraw/zinc/28/82/88/456288288.db2.gz OOGSKDGBUHSTBG-PMACEKPBSA-N 2 1 347.466 3.192 20 0 EGADMP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]C3CC[NH+](C4CC4)CC3)ccc2NC1=O ZINC000297766787 456290201 /nfs/dbraw/zinc/29/02/01/456290201.db2.gz VIHREOJKSHSHCX-ACJLOTCBSA-N 2 1 343.471 3.074 20 0 EGADMP Cc1cc(C)n(CCC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340184737 456296953 /nfs/dbraw/zinc/29/69/53/456296953.db2.gz ULCDUIMNRUMQDZ-PMACEKPBSA-N 2 1 326.488 3.315 20 0 EGADMP Cc1cc(C)n(CCC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340184737 456296960 /nfs/dbraw/zinc/29/69/60/456296960.db2.gz ULCDUIMNRUMQDZ-PMACEKPBSA-N 2 1 326.488 3.315 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H](O)c1ccccc1 ZINC000290378223 456309847 /nfs/dbraw/zinc/30/98/47/456309847.db2.gz RQMABUBYWISPDJ-GCJKJVERSA-N 2 1 338.495 3.405 20 0 EGADMP C[N@H+]1CC[C@@H](NC2CC[NH+](C3CCC3)CC2)C[C@H]1c1ccccc1 ZINC000340204640 456313693 /nfs/dbraw/zinc/31/36/93/456313693.db2.gz YFCHOCLILCQHCC-CTNGQTDRSA-N 2 1 327.516 3.428 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@@H]4CCCOC4)CC[C@@H]32)cc1 ZINC000342924129 456316751 /nfs/dbraw/zinc/31/67/51/456316751.db2.gz CVFWBXNFRGIYGP-HBMCJLEFSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CCCOC4)CC[C@@H]32)cc1 ZINC000342924129 456316759 /nfs/dbraw/zinc/31/67/59/456316759.db2.gz CVFWBXNFRGIYGP-HBMCJLEFSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CCCOC4)CC[C@@H]32)cc1 ZINC000342924129 456316767 /nfs/dbraw/zinc/31/67/67/456316767.db2.gz CVFWBXNFRGIYGP-HBMCJLEFSA-N 2 1 328.500 3.400 20 0 EGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000290416356 456322142 /nfs/dbraw/zinc/32/21/42/456322142.db2.gz KJVWLOPVEUBVCW-MJGOQNOKSA-N 2 1 338.455 3.185 20 0 EGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000290416356 456322151 /nfs/dbraw/zinc/32/21/51/456322151.db2.gz KJVWLOPVEUBVCW-MJGOQNOKSA-N 2 1 338.455 3.185 20 0 EGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000290416356 456322158 /nfs/dbraw/zinc/32/21/58/456322158.db2.gz KJVWLOPVEUBVCW-MJGOQNOKSA-N 2 1 338.455 3.185 20 0 EGADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCCc2occc21 ZINC000290420703 456323556 /nfs/dbraw/zinc/32/35/56/456323556.db2.gz URTGPSVZXZHYBV-KRWDZBQOSA-N 2 1 329.444 3.172 20 0 EGADMP COCCCOc1cccc(C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000290429486 456326046 /nfs/dbraw/zinc/32/60/46/456326046.db2.gz LFADMIHKNLLHGV-UHFFFAOYSA-N 2 1 331.460 3.129 20 0 EGADMP COCCCOc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000290429486 456326054 /nfs/dbraw/zinc/32/60/54/456326054.db2.gz LFADMIHKNLLHGV-UHFFFAOYSA-N 2 1 331.460 3.129 20 0 EGADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000290456246 456332840 /nfs/dbraw/zinc/33/28/40/456332840.db2.gz MRLDFUADZPAYJK-DZGCQCFKSA-N 2 1 328.378 3.343 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000290456246 456332848 /nfs/dbraw/zinc/33/28/48/456332848.db2.gz MRLDFUADZPAYJK-DZGCQCFKSA-N 2 1 328.378 3.343 20 0 EGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000290456246 456332856 /nfs/dbraw/zinc/33/28/56/456332856.db2.gz MRLDFUADZPAYJK-DZGCQCFKSA-N 2 1 328.378 3.343 20 0 EGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000290456246 456332863 /nfs/dbraw/zinc/33/28/63/456332863.db2.gz MRLDFUADZPAYJK-DZGCQCFKSA-N 2 1 328.378 3.343 20 0 EGADMP CC[N@@H+]1C[C@@H](C)[C@H](NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000347744141 456344002 /nfs/dbraw/zinc/34/40/02/456344002.db2.gz RJQQORZSXRWWCV-WIYYLYMNSA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000347744141 456344007 /nfs/dbraw/zinc/34/40/07/456344007.db2.gz RJQQORZSXRWWCV-WIYYLYMNSA-N 2 1 329.532 3.348 20 0 EGADMP CSc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)s1 ZINC000352831539 456345961 /nfs/dbraw/zinc/34/59/61/456345961.db2.gz DUHNRAZXWJOZMX-INIZCTEOSA-N 2 1 348.537 3.326 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+](CC)CC ZINC000347746807 456346999 /nfs/dbraw/zinc/34/69/99/456346999.db2.gz YTCRLORBLGOMBI-AZUAARDMSA-N 2 1 345.531 3.230 20 0 EGADMP CSc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000352848480 456360134 /nfs/dbraw/zinc/36/01/34/456360134.db2.gz VVNNGFBELCFZAN-JKSUJKDBSA-N 2 1 340.558 3.328 20 0 EGADMP CCc1cc(NC[C@H](C)CN2CC[NH+](CC)CC2)c2ccccc2[nH+]1 ZINC000302669628 456371575 /nfs/dbraw/zinc/37/15/75/456371575.db2.gz NNEXOQBMDAIYMK-KRWDZBQOSA-N 2 1 340.515 3.483 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cc(N2CCCC2)ncn1 ZINC000302862136 456418411 /nfs/dbraw/zinc/41/84/11/456418411.db2.gz VXAVOPLTMJSMQZ-SJLPKXTDSA-N 2 1 337.471 3.009 20 0 EGADMP C[N@H+]1CC[C@@H](NC2CC([NH+]3CCCCC3)C2)C[C@@H]1c1ccccc1 ZINC000340375982 456423572 /nfs/dbraw/zinc/42/35/72/456423572.db2.gz VCDCETLULIVDLA-WCHWRFHJSA-N 2 1 327.516 3.428 20 0 EGADMP CC[N@H+]1C[C@H](C)[C@H](NCc2ccc(COCC(F)(F)F)cc2)C1 ZINC000343156295 456439718 /nfs/dbraw/zinc/43/97/18/456439718.db2.gz BAAFLXOAMZMJTP-XJKSGUPXSA-N 2 1 330.394 3.195 20 0 EGADMP COC[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1 ZINC000290847796 456445086 /nfs/dbraw/zinc/44/50/86/456445086.db2.gz ZGFVKQXVHMMVSQ-CRAIPNDOSA-N 2 1 340.895 3.118 20 0 EGADMP COC[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cccc(Cl)c1 ZINC000290847796 456445092 /nfs/dbraw/zinc/44/50/92/456445092.db2.gz ZGFVKQXVHMMVSQ-CRAIPNDOSA-N 2 1 340.895 3.118 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000290973321 456483389 /nfs/dbraw/zinc/48/33/89/456483389.db2.gz QYLFXYYXHVWDNF-HNNXBMFYSA-N 2 1 345.487 3.345 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000340441184 456463844 /nfs/dbraw/zinc/46/38/44/456463844.db2.gz UWWZQRJKMIXQJY-UHFFFAOYSA-N 2 1 349.360 3.186 20 0 EGADMP Fc1ccc(SCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000343268494 456497250 /nfs/dbraw/zinc/49/72/50/456497250.db2.gz LGYQEVPCUJAACQ-KZNAEPCWSA-N 2 1 338.492 3.055 20 0 EGADMP CC(C)[C@H](Cn1cccn1)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000340523436 456508868 /nfs/dbraw/zinc/50/88/68/456508868.db2.gz DEHHOONHSPMSPJ-ICSRJNTNSA-N 2 1 328.504 3.408 20 0 EGADMP C[C@H]([NH2+]CCC(=O)Nc1cccc(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000298914729 456568075 /nfs/dbraw/zinc/56/80/75/456568075.db2.gz NGINXDRKNZPNNG-HOTGVXAUSA-N 2 1 347.478 3.397 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCC4CCOCC4)C[C@H]3C2)cc1 ZINC000310358789 456581893 /nfs/dbraw/zinc/58/18/93/456581893.db2.gz SSMVEVJKNIKBBJ-NHCUHLMSSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCC4CCOCC4)C[C@H]3C2)cc1 ZINC000310358789 456581894 /nfs/dbraw/zinc/58/18/94/456581894.db2.gz SSMVEVJKNIKBBJ-NHCUHLMSSA-N 2 1 328.500 3.257 20 0 EGADMP COc1ccc(F)cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310509105 456583080 /nfs/dbraw/zinc/58/30/80/456583080.db2.gz JUTPILZHIVSBHP-KRWDZBQOSA-N 2 1 328.431 3.446 20 0 EGADMP COc1ccc(F)cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310509105 456583083 /nfs/dbraw/zinc/58/30/83/456583083.db2.gz JUTPILZHIVSBHP-KRWDZBQOSA-N 2 1 328.431 3.446 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000291267622 456585677 /nfs/dbraw/zinc/58/56/77/456585677.db2.gz XPZDYRIYUJSZRW-CVEARBPZSA-N 2 1 330.394 3.155 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000291267622 456585681 /nfs/dbraw/zinc/58/56/81/456585681.db2.gz XPZDYRIYUJSZRW-CVEARBPZSA-N 2 1 330.394 3.155 20 0 EGADMP FC(F)Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000319994526 456625171 /nfs/dbraw/zinc/62/51/71/456625171.db2.gz FKPQMUFCJKTFNK-TXEJJXNPSA-N 2 1 330.806 3.373 20 0 EGADMP COC1(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CCOCC1 ZINC000276937830 456626189 /nfs/dbraw/zinc/62/61/89/456626189.db2.gz ACXSRZWDSKCZNH-SFHVURJKSA-N 2 1 346.515 3.435 20 0 EGADMP CC[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000340689538 456627320 /nfs/dbraw/zinc/62/73/20/456627320.db2.gz HTZJPTNPWNJJCP-SFHVURJKSA-N 2 1 347.528 3.048 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC2CCC(C[NH3+])CC2)cc1)C1CC1 ZINC000343606510 456738733 /nfs/dbraw/zinc/73/87/33/456738733.db2.gz UNWWPDNTGJOKRS-UHFFFAOYSA-N 2 1 343.515 3.166 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1)C(C)C ZINC000277244443 456740076 /nfs/dbraw/zinc/74/00/76/456740076.db2.gz JMIXSWMXTIHOSN-FQEVSTJZSA-N 2 1 345.531 3.473 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000277313277 456773862 /nfs/dbraw/zinc/77/38/62/456773862.db2.gz USKYLZYDITUHCU-DLBZAZTESA-N 2 1 344.421 3.025 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)C[N@@H+](Cc2ccccc2)C1 ZINC000344487363 456831368 /nfs/dbraw/zinc/83/13/68/456831368.db2.gz VIDYNMKKANAHQA-PBASOCQRSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[NH+](Cc2ccccc2)C1 ZINC000344487363 456831374 /nfs/dbraw/zinc/83/13/74/456831374.db2.gz VIDYNMKKANAHQA-PBASOCQRSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[NH+](Cc2ccccc2)C1 ZINC000344487363 456831380 /nfs/dbraw/zinc/83/13/80/456831380.db2.gz VIDYNMKKANAHQA-PBASOCQRSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CN(Cc2ccccc2)C1 ZINC000344487363 456831384 /nfs/dbraw/zinc/83/13/84/456831384.db2.gz VIDYNMKKANAHQA-PBASOCQRSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CN(Cc2ccccc2)C1 ZINC000344487363 456831387 /nfs/dbraw/zinc/83/13/87/456831387.db2.gz VIDYNMKKANAHQA-PBASOCQRSA-N 2 1 327.516 3.113 20 0 EGADMP CCOC(=O)c1coc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000353656164 456834592 /nfs/dbraw/zinc/83/45/92/456834592.db2.gz CTVLEPALPCGIKD-OAHLLOKOSA-N 2 1 343.427 3.094 20 0 EGADMP C[N@@H+]1CC[C@]2(CC[NH+](CCOc3ccccc3C(F)(F)F)C2)C1 ZINC000292052249 456842217 /nfs/dbraw/zinc/84/22/17/456842217.db2.gz BRUXNPGRBZTROG-INIZCTEOSA-N 2 1 328.378 3.112 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+](CCOc3ccccc3C(F)(F)F)C2)C1 ZINC000292052249 456842219 /nfs/dbraw/zinc/84/22/19/456842219.db2.gz BRUXNPGRBZTROG-INIZCTEOSA-N 2 1 328.378 3.112 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](CCOc3ccccc3C(F)(F)F)C2)C1 ZINC000292052249 456842224 /nfs/dbraw/zinc/84/22/24/456842224.db2.gz BRUXNPGRBZTROG-INIZCTEOSA-N 2 1 328.378 3.112 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCOc3ccccc3C(F)(F)F)C2)C1 ZINC000292052249 456842227 /nfs/dbraw/zinc/84/22/27/456842227.db2.gz BRUXNPGRBZTROG-INIZCTEOSA-N 2 1 328.378 3.112 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c2ccccc21 ZINC000338687376 456853049 /nfs/dbraw/zinc/85/30/49/456853049.db2.gz OJUGGZZCYWHQGW-RTBURBONSA-N 2 1 332.488 3.488 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@H+](C2CCC2)C1 ZINC000344769837 456857499 /nfs/dbraw/zinc/85/74/99/456857499.db2.gz IODOKWSCFPRKQW-PXNSSMCTSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+](C2CCC2)C1 ZINC000344769837 456857507 /nfs/dbraw/zinc/85/75/07/456857507.db2.gz IODOKWSCFPRKQW-PXNSSMCTSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC[NH+](C2CCC2)C1 ZINC000344769837 456857514 /nfs/dbraw/zinc/85/75/14/456857514.db2.gz IODOKWSCFPRKQW-PXNSSMCTSA-N 2 1 347.547 3.116 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(OC)c(OC)cc2OC)C[C@@H]1C ZINC000353752089 456890270 /nfs/dbraw/zinc/89/02/70/456890270.db2.gz ZWTRDRUSUCXPFK-HOCLYGCPSA-N 2 1 336.476 3.017 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc2c(cc1OC)OCO2 ZINC000349192044 456909039 /nfs/dbraw/zinc/90/90/39/456909039.db2.gz OUHBGFLZRGGWED-UHFFFAOYSA-N 2 1 345.443 3.095 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc2c(cc1OC)OCO2 ZINC000349192044 456909045 /nfs/dbraw/zinc/90/90/45/456909045.db2.gz OUHBGFLZRGGWED-UHFFFAOYSA-N 2 1 345.443 3.095 20 0 EGADMP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000349279028 456930108 /nfs/dbraw/zinc/93/01/08/456930108.db2.gz NNHGBKWIUHRQOY-JTDSTZFVSA-N 2 1 331.504 3.003 20 0 EGADMP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000349279028 456930111 /nfs/dbraw/zinc/93/01/11/456930111.db2.gz NNHGBKWIUHRQOY-JTDSTZFVSA-N 2 1 331.504 3.003 20 0 EGADMP CCC[N@@H+](CC)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000353953018 456977804 /nfs/dbraw/zinc/97/78/04/456977804.db2.gz XLCNNPGTDIKFCD-PKOBYXMFSA-N 2 1 348.535 3.017 20 0 EGADMP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C2CCC2)o1 ZINC000349522885 456981754 /nfs/dbraw/zinc/98/17/54/456981754.db2.gz VTWIZLUKZRZKIO-WSTZPKSXSA-N 2 1 332.488 3.397 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358867572 457013116 /nfs/dbraw/zinc/01/31/16/457013116.db2.gz XSZQVKYRCXPHIC-CEXWTWQISA-N 2 1 346.515 3.338 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358867572 457013121 /nfs/dbraw/zinc/01/31/21/457013121.db2.gz XSZQVKYRCXPHIC-CEXWTWQISA-N 2 1 346.515 3.338 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358867575 457013141 /nfs/dbraw/zinc/01/31/41/457013141.db2.gz XSZQVKYRCXPHIC-QRVBRYPASA-N 2 1 346.515 3.338 20 0 EGADMP CC[C@@H](C(=O)NCCC1CC[NH+](CC)CC1)[N@@H+](C)Cc1ccccc1 ZINC000339288039 457043367 /nfs/dbraw/zinc/04/33/67/457043367.db2.gz UECFHCGRYLMFNP-FQEVSTJZSA-N 2 1 345.531 3.135 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000354108371 457067723 /nfs/dbraw/zinc/06/77/23/457067723.db2.gz VHYQOGOMMNYPOP-INIZCTEOSA-N 2 1 328.859 3.412 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000354108371 457067727 /nfs/dbraw/zinc/06/77/27/457067727.db2.gz VHYQOGOMMNYPOP-INIZCTEOSA-N 2 1 328.859 3.412 20 0 EGADMP CCOc1cccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1OC(F)F ZINC000346644926 457088161 /nfs/dbraw/zinc/08/81/61/457088161.db2.gz NQJFBYQRJOGMNB-CQSZACIVSA-N 2 1 330.419 3.492 20 0 EGADMP CCOc1cccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1OC(F)F ZINC000346644926 457088153 /nfs/dbraw/zinc/08/81/53/457088153.db2.gz NQJFBYQRJOGMNB-CQSZACIVSA-N 2 1 330.419 3.492 20 0 EGADMP Cc1ncsc1C[N@H+](CCCc1ccc(C)nc1)C[C@@H]1CC[NH2+]C1 ZINC000339405744 457095568 /nfs/dbraw/zinc/09/55/68/457095568.db2.gz CKXBHMJSCKJOBV-GOSISDBHSA-N 2 1 344.528 3.199 20 0 EGADMP Cc1ncsc1C[N@@H+](CCCc1ccc(C)nc1)C[C@@H]1CC[NH2+]C1 ZINC000339405744 457095575 /nfs/dbraw/zinc/09/55/75/457095575.db2.gz CKXBHMJSCKJOBV-GOSISDBHSA-N 2 1 344.528 3.199 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C(C)=O)cc2)C[C@H]1C ZINC000354210412 457132511 /nfs/dbraw/zinc/13/25/11/457132511.db2.gz UAQJIQYDZNINEZ-BEFAXECRSA-N 2 1 345.487 3.022 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C(C)=O)cc2)C[C@H]1C ZINC000354210412 457132518 /nfs/dbraw/zinc/13/25/18/457132518.db2.gz UAQJIQYDZNINEZ-BEFAXECRSA-N 2 1 345.487 3.022 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(C(C)=O)cc2)C[C@H]1C ZINC000354210412 457132521 /nfs/dbraw/zinc/13/25/21/457132521.db2.gz UAQJIQYDZNINEZ-BEFAXECRSA-N 2 1 345.487 3.022 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C(C)=O)cc2)C[C@H]1C ZINC000354210412 457132526 /nfs/dbraw/zinc/13/25/26/457132526.db2.gz UAQJIQYDZNINEZ-BEFAXECRSA-N 2 1 345.487 3.022 20 0 EGADMP C[C@H](CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000359948552 457165030 /nfs/dbraw/zinc/16/50/30/457165030.db2.gz BMFPUIKYLOLXHB-HDAAZOAOSA-N 2 1 344.547 3.145 20 0 EGADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000359948552 457165035 /nfs/dbraw/zinc/16/50/35/457165035.db2.gz BMFPUIKYLOLXHB-HDAAZOAOSA-N 2 1 344.547 3.145 20 0 EGADMP C[C@H](CN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000359948552 457165039 /nfs/dbraw/zinc/16/50/39/457165039.db2.gz BMFPUIKYLOLXHB-HDAAZOAOSA-N 2 1 344.547 3.145 20 0 EGADMP C[C@H](CN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000359948552 457165043 /nfs/dbraw/zinc/16/50/43/457165043.db2.gz BMFPUIKYLOLXHB-HDAAZOAOSA-N 2 1 344.547 3.145 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C)C1CCCCC1 ZINC000354293166 457177684 /nfs/dbraw/zinc/17/76/84/457177684.db2.gz ZSBLDWMHRKXJPT-HXUWFJFHSA-N 2 1 343.515 3.162 20 0 EGADMP C[NH+](Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000354293166 457177688 /nfs/dbraw/zinc/17/76/88/457177688.db2.gz ZSBLDWMHRKXJPT-HXUWFJFHSA-N 2 1 343.515 3.162 20 0 EGADMP C[NH+](Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000354293166 457177693 /nfs/dbraw/zinc/17/76/93/457177693.db2.gz ZSBLDWMHRKXJPT-HXUWFJFHSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000359970150 457178791 /nfs/dbraw/zinc/17/87/91/457178791.db2.gz KUSYZRMGLRWTLL-YOEHRIQHSA-N 2 1 344.421 3.464 20 0 EGADMP COC1(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CCCCC1 ZINC000359974972 457181345 /nfs/dbraw/zinc/18/13/45/457181345.db2.gz IVTXVIFKQMCCIX-SFHVURJKSA-N 2 1 346.515 3.346 20 0 EGADMP COC1(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CCCCC1 ZINC000359974972 457181350 /nfs/dbraw/zinc/18/13/50/457181350.db2.gz IVTXVIFKQMCCIX-SFHVURJKSA-N 2 1 346.515 3.346 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)sc1Br ZINC000346852793 457185333 /nfs/dbraw/zinc/18/53/33/457185333.db2.gz LHFCNPRTFMEXKQ-DRZSPHRISA-N 2 1 329.307 3.378 20 0 EGADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)sc1Br ZINC000346852793 457185340 /nfs/dbraw/zinc/18/53/40/457185340.db2.gz LHFCNPRTFMEXKQ-DRZSPHRISA-N 2 1 329.307 3.378 20 0 EGADMP C[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[N@@H+]1CCCC[C@H]1C ZINC000356878257 457193925 /nfs/dbraw/zinc/19/39/25/457193925.db2.gz SRCJSRODKJJBDP-HUUCEWRRSA-N 2 1 335.458 3.256 20 0 EGADMP C[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[N@H+]1CCCC[C@H]1C ZINC000356878257 457193927 /nfs/dbraw/zinc/19/39/27/457193927.db2.gz SRCJSRODKJJBDP-HUUCEWRRSA-N 2 1 335.458 3.256 20 0 EGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CC4=CCCOC4)C3)C2)cc1 ZINC000360072291 457238739 /nfs/dbraw/zinc/23/87/39/457238739.db2.gz BGMXUZQWZJBESM-NRFANRHFSA-N 2 1 326.484 3.321 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CC4=CCCOC4)C3)C2)cc1 ZINC000360072291 457238741 /nfs/dbraw/zinc/23/87/41/457238741.db2.gz BGMXUZQWZJBESM-NRFANRHFSA-N 2 1 326.484 3.321 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CC4=CCCOC4)C3)C2)cc1 ZINC000360072291 457238744 /nfs/dbraw/zinc/23/87/44/457238744.db2.gz BGMXUZQWZJBESM-NRFANRHFSA-N 2 1 326.484 3.321 20 0 EGADMP CCn1c2cccc(F)c2nc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357077102 457310942 /nfs/dbraw/zinc/31/09/42/457310942.db2.gz JMUOPJXEGPNWCB-OAHLLOKOSA-N 2 1 330.451 3.017 20 0 EGADMP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000357088320 457315537 /nfs/dbraw/zinc/31/55/37/457315537.db2.gz RPWCTYWTMPZFES-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000351848113 457320363 /nfs/dbraw/zinc/32/03/63/457320363.db2.gz CAGAHSOVGDEBOO-ULMVMLMRSA-N 2 1 339.483 3.075 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000351848113 457320368 /nfs/dbraw/zinc/32/03/68/457320368.db2.gz CAGAHSOVGDEBOO-ULMVMLMRSA-N 2 1 339.483 3.075 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCCOC(C)(C)C)CC1 ZINC000354861202 457325012 /nfs/dbraw/zinc/32/50/12/457325012.db2.gz MWRZOQOTGUJLRS-KDURUIRLSA-N 2 1 339.568 3.072 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cn4cc(Cl)ccc4n3)C2)CC1 ZINC000363448257 457332118 /nfs/dbraw/zinc/33/21/18/457332118.db2.gz FNXBMRDXHQXBHP-OAHLLOKOSA-N 2 1 332.879 3.151 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000342586644 457381361 /nfs/dbraw/zinc/38/13/61/457381361.db2.gz MZBGVDWCDNRBSF-ZCNNSNEGSA-N 2 1 343.515 3.030 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363616818 457384752 /nfs/dbraw/zinc/38/47/52/457384752.db2.gz RYFZNCPUJGCEAC-IEBWSBKVSA-N 2 1 342.462 3.345 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363616818 457384759 /nfs/dbraw/zinc/38/47/59/457384759.db2.gz RYFZNCPUJGCEAC-IEBWSBKVSA-N 2 1 342.462 3.345 20 0 EGADMP CCOc1ncccc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357233940 457390140 /nfs/dbraw/zinc/39/01/40/457390140.db2.gz SFUSPHXXYBXWRZ-XLIONFOSSA-N 2 1 339.483 3.481 20 0 EGADMP CCOc1ncccc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357233940 457390143 /nfs/dbraw/zinc/39/01/43/457390143.db2.gz SFUSPHXXYBXWRZ-XLIONFOSSA-N 2 1 339.483 3.481 20 0 EGADMP COc1cc2c(cc1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1)O[C@H](C)C2 ZINC000378955311 457414777 /nfs/dbraw/zinc/41/47/77/457414777.db2.gz SMFXLMSWLZUUPH-HZPDHXFCSA-N 2 1 332.488 3.230 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379674386 457417729 /nfs/dbraw/zinc/41/77/29/457417729.db2.gz UGRLTJVDIJIJHU-YSIASYRMSA-N 2 1 345.531 3.167 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000360933403 457442959 /nfs/dbraw/zinc/44/29/59/457442959.db2.gz OGOIYRCQFJLKGX-OAHLLOKOSA-N 2 1 338.224 3.370 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)cc1)C(C)C ZINC000357384574 457485655 /nfs/dbraw/zinc/48/56/55/457485655.db2.gz FKXJMEFYQZSBBW-VQIMIIECSA-N 2 1 331.504 3.129 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCCCCNC(=O)OCc2ccccc2)CC[N@H+]1C ZINC000397918071 457491972 /nfs/dbraw/zinc/49/19/72/457491972.db2.gz JJNSHYOGJWQSGY-IEBWSBKVSA-N 2 1 347.503 3.155 20 0 EGADMP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1(C)C ZINC000360993440 457496722 /nfs/dbraw/zinc/49/67/22/457496722.db2.gz BBFNYMWDRUTCAS-VQTJNVASSA-N 2 1 346.515 3.201 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N(C)CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000356166933 457501634 /nfs/dbraw/zinc/50/16/34/457501634.db2.gz PCXIHCMGELHVCN-IBGZPJMESA-N 2 1 333.520 3.257 20 0 EGADMP CC(C)n1cncc1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000425334893 457503480 /nfs/dbraw/zinc/50/34/80/457503480.db2.gz HPUCKHFAYDSBDK-HDICACEKSA-N 2 1 348.535 3.175 20 0 EGADMP CCCCCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364173037 457509020 /nfs/dbraw/zinc/50/90/20/457509020.db2.gz CPHLTTMHSYREEN-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP COC(=O)[C@H](CC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000425423053 457548783 /nfs/dbraw/zinc/54/87/83/457548783.db2.gz NUCWVUFTLHJWSS-RBUKOAKNSA-N 2 1 341.455 3.003 20 0 EGADMP COC(=O)[C@H](CC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000425423053 457548785 /nfs/dbraw/zinc/54/87/85/457548785.db2.gz NUCWVUFTLHJWSS-RBUKOAKNSA-N 2 1 341.455 3.003 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000342862904 457563080 /nfs/dbraw/zinc/56/30/80/457563080.db2.gz DUSUUDUJRSBFRC-LJQANCHMSA-N 2 1 341.434 3.176 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000342862904 457563084 /nfs/dbraw/zinc/56/30/84/457563084.db2.gz DUSUUDUJRSBFRC-LJQANCHMSA-N 2 1 341.434 3.176 20 0 EGADMP CCOCCC1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCCC1 ZINC000352756116 457584430 /nfs/dbraw/zinc/58/44/30/457584430.db2.gz BHDGWFLAAFUIFE-UHFFFAOYSA-N 2 1 325.522 3.281 20 0 EGADMP COCC[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000370526855 457665901 /nfs/dbraw/zinc/66/59/01/457665901.db2.gz GHIVZZOVZOJSIU-RTBURBONSA-N 2 1 349.519 3.298 20 0 EGADMP CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC)cc1 ZINC000361260508 457670499 /nfs/dbraw/zinc/67/04/99/457670499.db2.gz BZZLZAXKGIIWKN-QUCCMNQESA-N 2 1 334.504 3.219 20 0 EGADMP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC)cc1 ZINC000361260510 457670761 /nfs/dbraw/zinc/67/07/61/457670761.db2.gz BZZLZAXKGIIWKN-UYAOXDASSA-N 2 1 334.504 3.219 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)no1 ZINC000370650418 457691091 /nfs/dbraw/zinc/69/10/91/457691091.db2.gz LTVPUBXGIMLEDY-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)no1 ZINC000370650418 457691093 /nfs/dbraw/zinc/69/10/93/457691093.db2.gz LTVPUBXGIMLEDY-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP O[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411304162 457854452 /nfs/dbraw/zinc/85/44/52/457854452.db2.gz BNAPXEMSDITMQV-QGZVFWFLSA-N 2 1 342.405 3.172 20 0 EGADMP O[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411304162 457854461 /nfs/dbraw/zinc/85/44/61/457854461.db2.gz BNAPXEMSDITMQV-QGZVFWFLSA-N 2 1 342.405 3.172 20 0 EGADMP CCOc1cc2c(cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)O[C@@H](C)C2 ZINC000358232627 457874671 /nfs/dbraw/zinc/87/46/71/457874671.db2.gz MKDCSPVKDJHPNC-LDDOYCOJSA-N 2 1 332.488 3.227 20 0 EGADMP CCOc1cc2c(cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)O[C@@H](C)C2 ZINC000358232627 457874681 /nfs/dbraw/zinc/87/46/81/457874681.db2.gz MKDCSPVKDJHPNC-LDDOYCOJSA-N 2 1 332.488 3.227 20 0 EGADMP Cc1ccc2ncc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)cc2c1 ZINC000411403424 457877062 /nfs/dbraw/zinc/87/70/62/457877062.db2.gz WMQCQMZFVNMJOQ-CEWLAPEOSA-N 2 1 339.483 3.227 20 0 EGADMP Cc1ccc2ncc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)cc2c1 ZINC000411403424 457877068 /nfs/dbraw/zinc/87/70/68/457877068.db2.gz WMQCQMZFVNMJOQ-CEWLAPEOSA-N 2 1 339.483 3.227 20 0 EGADMP C[C@@H]([NH2+]CCC(=O)NCC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411516488 457909246 /nfs/dbraw/zinc/90/92/46/457909246.db2.gz KCTQVOQHOZCBBO-MJGOQNOKSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(C)c1ccccc1 ZINC000411516051 457909567 /nfs/dbraw/zinc/90/95/67/457909567.db2.gz JBHOWIOOEIILMB-BZSNNMDCSA-N 2 1 343.515 3.281 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)N(C)c1ccccc1 ZINC000411516051 457909575 /nfs/dbraw/zinc/90/95/75/457909575.db2.gz JBHOWIOOEIILMB-BZSNNMDCSA-N 2 1 343.515 3.281 20 0 EGADMP CCCCCNC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000411525525 457910263 /nfs/dbraw/zinc/91/02/63/457910263.db2.gz CEKSEWRQYZWPDQ-ROUUACIJSA-N 2 1 345.531 3.039 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H]1C ZINC000411621726 457932422 /nfs/dbraw/zinc/93/24/22/457932422.db2.gz REUTXWOJJSPDHE-QFBILLFUSA-N 2 1 330.472 3.056 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000411632931 457935722 /nfs/dbraw/zinc/93/57/22/457935722.db2.gz RFHGBULGZWHZKA-KRWDZBQOSA-N 2 1 342.487 3.209 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000411632931 457935727 /nfs/dbraw/zinc/93/57/27/457935727.db2.gz RFHGBULGZWHZKA-KRWDZBQOSA-N 2 1 342.487 3.209 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)cc1)C(C)C ZINC000371510862 457969463 /nfs/dbraw/zinc/96/94/63/457969463.db2.gz OLWBSQRCTBDKDX-VQTJNVASSA-N 2 1 343.515 3.274 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1)C(C)C ZINC000371510862 457969471 /nfs/dbraw/zinc/96/94/71/457969471.db2.gz OLWBSQRCTBDKDX-VQTJNVASSA-N 2 1 343.515 3.274 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1)C(C)C ZINC000371510862 457969477 /nfs/dbraw/zinc/96/94/77/457969477.db2.gz OLWBSQRCTBDKDX-VQTJNVASSA-N 2 1 343.515 3.274 20 0 EGADMP CC1(C)CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC[S@]1=O ZINC000411797090 457980380 /nfs/dbraw/zinc/98/03/80/457980380.db2.gz SZGBLDUQRMTOME-XMMPIXPASA-N 2 1 348.556 3.406 20 0 EGADMP CC1(C)CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC[S@]1=O ZINC000411797090 457980385 /nfs/dbraw/zinc/98/03/85/457980385.db2.gz SZGBLDUQRMTOME-XMMPIXPASA-N 2 1 348.556 3.406 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC000358426409 457997326 /nfs/dbraw/zinc/99/73/26/457997326.db2.gz MSMHUCYYTAYQDN-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358426409 457997334 /nfs/dbraw/zinc/99/73/34/457997334.db2.gz MSMHUCYYTAYQDN-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000358426409 457997339 /nfs/dbraw/zinc/99/73/39/457997339.db2.gz MSMHUCYYTAYQDN-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458358913 458023899 /nfs/dbraw/zinc/02/38/99/458023899.db2.gz NUAGZWGJSYMKFZ-KRWDZBQOSA-N 2 1 340.556 3.061 20 0 EGADMP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000434643108 458026823 /nfs/dbraw/zinc/02/68/23/458026823.db2.gz AHYSGKUCDZZKOI-NQIIRXRSSA-N 2 1 345.531 3.288 20 0 EGADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000434643108 458026826 /nfs/dbraw/zinc/02/68/26/458026826.db2.gz AHYSGKUCDZZKOI-NQIIRXRSSA-N 2 1 345.531 3.288 20 0 EGADMP C[C@H](CC1CCOCC1)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000434643108 458026833 /nfs/dbraw/zinc/02/68/33/458026833.db2.gz AHYSGKUCDZZKOI-NQIIRXRSSA-N 2 1 345.531 3.288 20 0 EGADMP C[C@H](CC1CCOCC1)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000434643108 458026835 /nfs/dbraw/zinc/02/68/35/458026835.db2.gz AHYSGKUCDZZKOI-NQIIRXRSSA-N 2 1 345.531 3.288 20 0 EGADMP Clc1cccc(Cl)c1OCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503894 458043567 /nfs/dbraw/zinc/04/35/67/458043567.db2.gz GAFFETMQFCSLSH-UHFFFAOYSA-N 2 1 329.271 3.448 20 0 EGADMP CCC[N@@H+](C)CC(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000358569093 458081874 /nfs/dbraw/zinc/08/18/74/458081874.db2.gz UHKNSQHQGYFHMC-UHFFFAOYSA-N 2 1 326.444 3.167 20 0 EGADMP CCCN(C)CC(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000358569093 458081880 /nfs/dbraw/zinc/08/18/80/458081880.db2.gz UHKNSQHQGYFHMC-UHFFFAOYSA-N 2 1 326.444 3.167 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000358599569 458099860 /nfs/dbraw/zinc/09/98/60/458099860.db2.gz WEIGITVLNLHBMS-UHFFFAOYSA-N 2 1 331.504 3.021 20 0 EGADMP Cc1cnc([C@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000428221682 458100681 /nfs/dbraw/zinc/10/06/81/458100681.db2.gz LFLDJMGVAKFGCG-KSZLIROESA-N 2 1 346.519 3.057 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000369184137 458115599 /nfs/dbraw/zinc/11/55/99/458115599.db2.gz PKJKTDZGXOHZSR-YFVAEKQCSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000369184137 458115603 /nfs/dbraw/zinc/11/56/03/458115603.db2.gz PKJKTDZGXOHZSR-YFVAEKQCSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000369184137 458115609 /nfs/dbraw/zinc/11/56/09/458115609.db2.gz PKJKTDZGXOHZSR-YFVAEKQCSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000369184137 458115616 /nfs/dbraw/zinc/11/56/16/458115616.db2.gz PKJKTDZGXOHZSR-YFVAEKQCSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000369184137 458115621 /nfs/dbraw/zinc/11/56/21/458115621.db2.gz PKJKTDZGXOHZSR-YFVAEKQCSA-N 2 1 327.516 3.113 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+]1CCC([NH3+])CC1 ZINC000435369206 458120680 /nfs/dbraw/zinc/12/06/80/458120680.db2.gz DHQGZZFOJXAIDW-UHFFFAOYSA-N 2 1 332.879 3.125 20 0 EGADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000435369240 458120910 /nfs/dbraw/zinc/12/09/10/458120910.db2.gz DTUHBMJCPSGLAK-GOEBONIOSA-N 2 1 345.874 3.483 20 0 EGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000435369240 458120917 /nfs/dbraw/zinc/12/09/17/458120917.db2.gz DTUHBMJCPSGLAK-GOEBONIOSA-N 2 1 345.874 3.483 20 0 EGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000435368807 458121114 /nfs/dbraw/zinc/12/11/14/458121114.db2.gz JDUNXXHGORWVOE-QGZVFWFLSA-N 2 1 347.466 3.105 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc(C)c1OCc1ccccn1 ZINC000435372831 458122857 /nfs/dbraw/zinc/12/28/57/458122857.db2.gz SRPAAGUJPNXAFP-PKOBYXMFSA-N 2 1 339.483 3.447 20 0 EGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000435383683 458130755 /nfs/dbraw/zinc/13/07/55/458130755.db2.gz IHQCVFMUPPBVQN-IBGZPJMESA-N 2 1 346.478 3.379 20 0 EGADMP CN(c1ccccc1C[N@@H+](C)C[C@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000362369793 458130848 /nfs/dbraw/zinc/13/08/48/458130848.db2.gz TYCFHGCUDQTIKR-HXUWFJFHSA-N 2 1 345.531 3.218 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000435382163 458131277 /nfs/dbraw/zinc/13/12/77/458131277.db2.gz ZUCFDDOFRDXUTP-SXLOBPIMSA-N 2 1 337.467 3.316 20 0 EGADMP C[N@H+](Cc1cccc2cc[nH]c21)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428441200 458144279 /nfs/dbraw/zinc/14/42/79/458144279.db2.gz PFKWCIWUCOUNRA-JOCHJYFZSA-N 2 1 349.478 3.237 20 0 EGADMP C[N@@H+](Cc1cccc2cc[nH]c21)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428441200 458144286 /nfs/dbraw/zinc/14/42/86/458144286.db2.gz PFKWCIWUCOUNRA-JOCHJYFZSA-N 2 1 349.478 3.237 20 0 EGADMP C[NH+](Cc1cccc2cc[nH]c21)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428441200 458144291 /nfs/dbraw/zinc/14/42/91/458144291.db2.gz PFKWCIWUCOUNRA-JOCHJYFZSA-N 2 1 349.478 3.237 20 0 EGADMP C[NH+](Cc1cccc2cc[nH]c21)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428441200 458144294 /nfs/dbraw/zinc/14/42/94/458144294.db2.gz PFKWCIWUCOUNRA-JOCHJYFZSA-N 2 1 349.478 3.237 20 0 EGADMP CCOc1c(Cl)cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435436246 458146742 /nfs/dbraw/zinc/14/67/42/458146742.db2.gz FGLQIBCPDAPUET-AWEZNQCLSA-N 2 1 326.868 3.321 20 0 EGADMP C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435447267 458149795 /nfs/dbraw/zinc/14/97/95/458149795.db2.gz OKDLGNYGAUCVTJ-LJQANCHMSA-N 2 1 325.456 3.235 20 0 EGADMP COc1cc(OC)c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(OC)c1 ZINC000376000912 458157141 /nfs/dbraw/zinc/15/71/41/458157141.db2.gz RWXHVXGKYZFCCY-UHFFFAOYSA-N 2 1 348.487 3.020 20 0 EGADMP CCC1(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCOCC1 ZINC000428537833 458164411 /nfs/dbraw/zinc/16/44/11/458164411.db2.gz MPMTZFCMKIHUDS-FQEVSTJZSA-N 2 1 346.515 3.074 20 0 EGADMP CCC1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCOCC1 ZINC000428537833 458164418 /nfs/dbraw/zinc/16/44/18/458164418.db2.gz MPMTZFCMKIHUDS-FQEVSTJZSA-N 2 1 346.515 3.074 20 0 EGADMP C[C@H](NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(-c2ccncc2)c1 ZINC000372066199 458181669 /nfs/dbraw/zinc/18/16/69/458181669.db2.gz XLNWHJPYBVGDGF-DQLDELGASA-N 2 1 337.467 3.262 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C)[NH+](C)[C@@H](C)C2)cc1)C(C)C ZINC000358758217 458197463 /nfs/dbraw/zinc/19/74/63/458197463.db2.gz PDVMBWATMAWHIC-IRXDYDNUSA-N 2 1 331.504 3.082 20 0 EGADMP CCOc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000362502611 458224200 /nfs/dbraw/zinc/22/42/00/458224200.db2.gz MNPGKIXNAOXJPP-FUHWJXTLSA-N 2 1 347.503 3.219 20 0 EGADMP CCOc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000362502611 458224211 /nfs/dbraw/zinc/22/42/11/458224211.db2.gz MNPGKIXNAOXJPP-FUHWJXTLSA-N 2 1 347.503 3.219 20 0 EGADMP CCOc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000362502611 458224218 /nfs/dbraw/zinc/22/42/18/458224218.db2.gz MNPGKIXNAOXJPP-FUHWJXTLSA-N 2 1 347.503 3.219 20 0 EGADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+]Cc3ccccc32)cc1)C1CC1 ZINC000428914297 458231503 /nfs/dbraw/zinc/23/15/03/458231503.db2.gz ZAOSBDMRJLRAGF-UHFFFAOYSA-N 2 1 349.478 3.421 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+]Cc3ccccc32)cc1)C1CC1 ZINC000428914297 458231505 /nfs/dbraw/zinc/23/15/05/458231505.db2.gz ZAOSBDMRJLRAGF-UHFFFAOYSA-N 2 1 349.478 3.421 20 0 EGADMP COCC[NH+]1CCC([NH2+]C[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000362525711 458247049 /nfs/dbraw/zinc/24/70/49/458247049.db2.gz NZTDYEXEGMLRHL-MRXNPFEDSA-N 2 1 330.394 3.033 20 0 EGADMP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)CC[C@@H]1CCCC[NH+]1C ZINC000429053319 458267049 /nfs/dbraw/zinc/26/70/49/458267049.db2.gz KJRIYHJZKGBGFP-KRWDZBQOSA-N 2 1 337.895 3.475 20 0 EGADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000429053319 458267053 /nfs/dbraw/zinc/26/70/53/458267053.db2.gz KJRIYHJZKGBGFP-KRWDZBQOSA-N 2 1 337.895 3.475 20 0 EGADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1)CC[C@@H]1CCCC[N@H+]1C ZINC000429053319 458267055 /nfs/dbraw/zinc/26/70/55/458267055.db2.gz KJRIYHJZKGBGFP-KRWDZBQOSA-N 2 1 337.895 3.475 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@](C)(C[NH3+])CC(C)C)cc1)C1CC1 ZINC000429183116 458288653 /nfs/dbraw/zinc/28/86/53/458288653.db2.gz DZZZJWCTUMFUGG-FQEVSTJZSA-N 2 1 331.504 3.164 20 0 EGADMP C[C@@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1cccc(Cl)c1 ZINC000372677083 458315050 /nfs/dbraw/zinc/31/50/50/458315050.db2.gz SNBUTHZZNQOXHB-LPHOPBHVSA-N 2 1 335.923 3.155 20 0 EGADMP C[C@@H](C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1cccc(Cl)c1 ZINC000372677083 458315056 /nfs/dbraw/zinc/31/50/56/458315056.db2.gz SNBUTHZZNQOXHB-LPHOPBHVSA-N 2 1 335.923 3.155 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cnc(C3CC3)nc2)C1 ZINC000459324438 458329903 /nfs/dbraw/zinc/32/99/03/458329903.db2.gz KOMRSAJPPJTYEL-DLBZAZTESA-N 2 1 328.504 3.440 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000429521679 458340243 /nfs/dbraw/zinc/34/02/43/458340243.db2.gz NFPKKQIUFNGFFL-KXBFYZLASA-N 2 1 325.456 3.016 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H]1SC ZINC000459370957 458348025 /nfs/dbraw/zinc/34/80/25/458348025.db2.gz HVCFZHAZJFLELV-RZFLPCETSA-N 2 1 328.566 3.243 20 0 EGADMP C[C@H]1C[C@H](NCc2cnc(C3CC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000459418567 458364486 /nfs/dbraw/zinc/36/44/86/458364486.db2.gz DBKIWIVURBCFCI-OXJNMPFZSA-N 2 1 336.483 3.497 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2cnc(C3CC3)nc2)CCN1Cc1ccccc1 ZINC000459418567 458364492 /nfs/dbraw/zinc/36/44/92/458364492.db2.gz DBKIWIVURBCFCI-OXJNMPFZSA-N 2 1 336.483 3.497 20 0 EGADMP CCOc1cc(C[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)ccc1O ZINC000459422950 458366181 /nfs/dbraw/zinc/36/61/81/458366181.db2.gz DIZNFOAWPQAKSN-UHFFFAOYSA-N 2 1 341.455 3.253 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CCC(F)(F)C3)sc2C1 ZINC000430036329 458392194 /nfs/dbraw/zinc/39/21/94/458392194.db2.gz DODGEWGXDMAQFD-GFCCVEGCSA-N 2 1 329.460 3.435 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CCC(F)(F)C3)sc2C1 ZINC000430036329 458392197 /nfs/dbraw/zinc/39/21/97/458392197.db2.gz DODGEWGXDMAQFD-GFCCVEGCSA-N 2 1 329.460 3.435 20 0 EGADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423477375 458438371 /nfs/dbraw/zinc/43/83/71/458438371.db2.gz TXDOPNHMPUESDY-NVXWUHKLSA-N 2 1 338.455 3.301 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000423479215 458439871 /nfs/dbraw/zinc/43/98/71/458439871.db2.gz URXZVRVCTCBCKK-HGJUEJDCSA-N 3 1 327.516 3.289 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000423479215 458439874 /nfs/dbraw/zinc/43/98/74/458439874.db2.gz URXZVRVCTCBCKK-HGJUEJDCSA-N 2 1 327.516 3.289 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000423480409 458440007 /nfs/dbraw/zinc/44/00/07/458440007.db2.gz WBVUKDDJZNIZTC-AHJNKEMKSA-N 3 1 341.543 3.394 20 0 EGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1Cl ZINC000423488804 458442018 /nfs/dbraw/zinc/44/20/18/458442018.db2.gz FACSAMUGAXMMHA-UKRRQHHQSA-N 2 1 326.868 3.156 20 0 EGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423503447 458444728 /nfs/dbraw/zinc/44/47/28/458444728.db2.gz FQOYTSXMCJQMJA-WMLDXEAASA-N 2 1 345.512 3.456 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423534151 458453887 /nfs/dbraw/zinc/45/38/87/458453887.db2.gz VIYVHPDHNBEMKA-KDOFPFPSSA-N 2 1 332.492 3.385 20 0 EGADMP C[N@H+]1CC[C@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000423536258 458454563 /nfs/dbraw/zinc/45/45/63/458454563.db2.gz ZEOSPZHCSFITBE-KJJMTIBFSA-N 2 1 335.495 3.167 20 0 EGADMP Cc1ccc([C@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000423572784 458457913 /nfs/dbraw/zinc/45/79/13/458457913.db2.gz OMTZDNLAFIHAOH-KRWDZBQOSA-N 2 1 327.472 3.232 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)ccc2Br)C1 ZINC000459744774 458466256 /nfs/dbraw/zinc/46/62/56/458466256.db2.gz XURMRAHZJKPNEJ-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C[NH2+]C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000423706129 458474671 /nfs/dbraw/zinc/47/46/71/458474671.db2.gz MCMRSFXPHBLQNW-LJQANCHMSA-N 2 1 325.456 3.255 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)c1OC ZINC000459792560 458480002 /nfs/dbraw/zinc/48/00/02/458480002.db2.gz SKKZQXIHPBINOE-RDJZCZTQSA-N 2 1 334.504 3.265 20 0 EGADMP COc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000459793819 458480113 /nfs/dbraw/zinc/48/01/13/458480113.db2.gz TZDSYUYMAXNYNC-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]([NH3+])c2ccccc2OC)c1 ZINC000430690281 458480537 /nfs/dbraw/zinc/48/05/37/458480537.db2.gz CSIIJPLSHUVMRX-LJQANCHMSA-N 2 1 341.455 3.176 20 0 EGADMP COc1ccccc1-n1nccc1CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000430764864 458489806 /nfs/dbraw/zinc/48/98/06/458489806.db2.gz UHVZVTRHYBVBLW-KRWDZBQOSA-N 2 1 342.487 3.187 20 0 EGADMP C/C(=C\c1ccccc1)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377633603 458506914 /nfs/dbraw/zinc/50/69/14/458506914.db2.gz VRGAQWCTNRZOCC-RHYRFBSLSA-N 2 1 327.516 3.190 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423909197 458511229 /nfs/dbraw/zinc/51/12/29/458511229.db2.gz UAURGCMCAIJFRZ-PKOBYXMFSA-N 2 1 345.531 3.168 20 0 EGADMP CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423912533 458512370 /nfs/dbraw/zinc/51/23/70/458512370.db2.gz WDWCUNUXCLQBGS-UFYCRDLUSA-N 2 1 343.515 3.017 20 0 EGADMP CCC[N@H+](CC(=O)N(CC)[C@H](C)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000431067941 458523597 /nfs/dbraw/zinc/52/35/97/458523597.db2.gz AIWTXJWNBUPENV-MRXNPFEDSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](CC(=O)N(CC)[C@H](C)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000431067941 458523601 /nfs/dbraw/zinc/52/36/01/458523601.db2.gz AIWTXJWNBUPENV-MRXNPFEDSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@H+](CC(=O)N[C@@H](CC(C)C)c1ccccc1)C1CC[NH2+]CC1 ZINC000431100902 458530330 /nfs/dbraw/zinc/53/03/30/458530330.db2.gz WPOSZEQYJNXQJY-FQEVSTJZSA-N 2 1 345.531 3.354 20 0 EGADMP CCC[N@@H+](CC(=O)N[C@@H](CC(C)C)c1ccccc1)C1CC[NH2+]CC1 ZINC000431100902 458530334 /nfs/dbraw/zinc/53/03/34/458530334.db2.gz WPOSZEQYJNXQJY-FQEVSTJZSA-N 2 1 345.531 3.354 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CC[C@@H]4CCOC4)C3)C2)cc1 ZINC000438092635 458530444 /nfs/dbraw/zinc/53/04/44/458530444.db2.gz AADDZCQVTVVNRO-RTWAWAEBSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CC[C@@H]4CCOC4)C3)C2)cc1 ZINC000438092635 458530451 /nfs/dbraw/zinc/53/04/51/458530451.db2.gz AADDZCQVTVVNRO-RTWAWAEBSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CC[C@@H]4CCOC4)C3)C2)cc1 ZINC000438092635 458530461 /nfs/dbraw/zinc/53/04/61/458530461.db2.gz AADDZCQVTVVNRO-RTWAWAEBSA-N 2 1 328.500 3.401 20 0 EGADMP C[NH2+]CCCN(C)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000424016669 458538345 /nfs/dbraw/zinc/53/83/45/458538345.db2.gz CZEUFUPOLUFGJA-UHFFFAOYSA-N 2 1 339.483 3.000 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000461211277 458551337 /nfs/dbraw/zinc/55/13/37/458551337.db2.gz GTWOSPBAKOEZMM-AOIWGVFYSA-N 2 1 348.535 3.097 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424139858 458568255 /nfs/dbraw/zinc/56/82/55/458568255.db2.gz FPCQUOORZKBJKT-MOPGFXCFSA-N 2 1 337.552 3.158 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000438544437 458595199 /nfs/dbraw/zinc/59/51/99/458595199.db2.gz IMYVKKJDGDKSHJ-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438544437 458595204 /nfs/dbraw/zinc/59/52/04/458595204.db2.gz IMYVKKJDGDKSHJ-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438544437 458595211 /nfs/dbraw/zinc/59/52/11/458595211.db2.gz IMYVKKJDGDKSHJ-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000493941492 458603695 /nfs/dbraw/zinc/60/36/95/458603695.db2.gz LCZMICFKHAAOEK-IXDOHACOSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000493941492 458603702 /nfs/dbraw/zinc/60/37/02/458603702.db2.gz LCZMICFKHAAOEK-IXDOHACOSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000493941492 458603708 /nfs/dbraw/zinc/60/37/08/458603708.db2.gz LCZMICFKHAAOEK-IXDOHACOSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H]1CC2(C[N@H+]1CCCc1nc(-c3ccccc3)no1)CC[NH2+]CC2 ZINC000424301563 458609566 /nfs/dbraw/zinc/60/95/66/458609566.db2.gz XRIIZUHEDYWODC-INIZCTEOSA-N 2 1 340.471 3.133 20 0 EGADMP c1ccc(C(OCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2ccccc2)cc1 ZINC000462386730 458616386 /nfs/dbraw/zinc/61/63/86/458616386.db2.gz GPANBBKXRVNXLR-JOCHJYFZSA-N 2 1 336.479 3.478 20 0 EGADMP COc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(Cl)c1OC ZINC000424368967 458626735 /nfs/dbraw/zinc/62/67/35/458626735.db2.gz AYMTYQIBTDMLIR-CYBMUJFWSA-N 2 1 338.879 3.321 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(I)cc1 ZINC000424381049 458629642 /nfs/dbraw/zinc/62/96/42/458629642.db2.gz YCGQXLUYFOPAFH-ZLKJLUDKSA-N 2 1 344.240 3.212 20 0 EGADMP COc1ccc(C[C@H](C)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1F ZINC000424388055 458631291 /nfs/dbraw/zinc/63/12/91/458631291.db2.gz ZBUQSIJKZHMIGS-HOTGVXAUSA-N 2 1 334.479 3.477 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456309066 458636747 /nfs/dbraw/zinc/63/67/47/458636747.db2.gz JIAKRQWJIFPYLP-DNVCBOLYSA-N 2 1 329.488 3.439 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000438987741 458637184 /nfs/dbraw/zinc/63/71/84/458637184.db2.gz VCBHEAHOKVCZPB-QRTARXTBSA-N 2 1 333.476 3.177 20 0 EGADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000546574354 458639759 /nfs/dbraw/zinc/63/97/59/458639759.db2.gz OWKOEPZNAVGEEE-VQTJNVASSA-N 2 1 344.886 3.280 20 0 EGADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000546574354 458639764 /nfs/dbraw/zinc/63/97/64/458639764.db2.gz OWKOEPZNAVGEEE-VQTJNVASSA-N 2 1 344.886 3.280 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000439000818 458640996 /nfs/dbraw/zinc/64/09/96/458640996.db2.gz XGDVDMSODFTUMV-DOTOQJQBSA-N 2 1 347.503 3.425 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000439000818 458641000 /nfs/dbraw/zinc/64/10/00/458641000.db2.gz XGDVDMSODFTUMV-DOTOQJQBSA-N 2 1 347.503 3.425 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000439000818 458641007 /nfs/dbraw/zinc/64/10/07/458641007.db2.gz XGDVDMSODFTUMV-DOTOQJQBSA-N 2 1 347.503 3.425 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000530025200 458657831 /nfs/dbraw/zinc/65/78/31/458657831.db2.gz PLMCSCDYAJHMQF-HXUWFJFHSA-N 2 1 341.499 3.029 20 0 EGADMP Cc1cc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000462826586 458659985 /nfs/dbraw/zinc/65/99/85/458659985.db2.gz QIQKBXZLEXUFSF-GJZGRUSLSA-N 2 1 347.890 3.396 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000546722722 458666818 /nfs/dbraw/zinc/66/68/18/458666818.db2.gz QWEMGWCQWJYQHJ-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000546722722 458666823 /nfs/dbraw/zinc/66/68/23/458666823.db2.gz QWEMGWCQWJYQHJ-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000546722722 458666825 /nfs/dbraw/zinc/66/68/25/458666825.db2.gz QWEMGWCQWJYQHJ-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439464052 458706190 /nfs/dbraw/zinc/70/61/90/458706190.db2.gz CQWZSUZJTZQURN-SQGPQFPESA-N 2 1 336.520 3.305 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439464052 458706194 /nfs/dbraw/zinc/70/61/94/458706194.db2.gz CQWZSUZJTZQURN-SQGPQFPESA-N 2 1 336.520 3.305 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439464052 458706201 /nfs/dbraw/zinc/70/62/01/458706201.db2.gz CQWZSUZJTZQURN-SQGPQFPESA-N 2 1 336.520 3.305 20 0 EGADMP CC[N@H+](CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000495011590 458782070 /nfs/dbraw/zinc/78/20/70/458782070.db2.gz KRPKXTHOWAIWPM-MRXNPFEDSA-N 2 1 327.513 3.096 20 0 EGADMP CC[N@@H+](CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000495011590 458782077 /nfs/dbraw/zinc/78/20/77/458782077.db2.gz KRPKXTHOWAIWPM-MRXNPFEDSA-N 2 1 327.513 3.096 20 0 EGADMP C[C@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)CCCNC(=O)C3CCC3)CC2)C1 ZINC000432799700 458789130 /nfs/dbraw/zinc/78/91/30/458789130.db2.gz ZBVIKFSUNHWJPU-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1ccc(-n2ccnc2)c(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000531051587 458863859 /nfs/dbraw/zinc/86/38/59/458863859.db2.gz ZJYGJQLHAHHUEA-UHFFFAOYSA-N 2 1 340.471 3.127 20 0 EGADMP Cc1cccc(C)c1OCCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000441271433 458908727 /nfs/dbraw/zinc/90/87/27/458908727.db2.gz XYYAOJIVRPMKLX-SLFFLAALSA-N 2 1 346.515 3.256 20 0 EGADMP CCNC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000519138325 458918569 /nfs/dbraw/zinc/91/85/69/458918569.db2.gz VVEKXSUWGSMKGK-PMACEKPBSA-N 2 1 337.467 3.019 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@H](C)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000441335102 458922090 /nfs/dbraw/zinc/92/20/90/458922090.db2.gz XLSVIJXYAHXWQD-PKOBYXMFSA-N 2 1 331.504 3.437 20 0 EGADMP FC(F)(F)c1cccc(OCCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000576943735 458953044 /nfs/dbraw/zinc/95/30/44/458953044.db2.gz VCHQMKLPYFELRC-KBPBESRZSA-N 2 1 328.378 3.016 20 0 EGADMP OC[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000577028147 458965442 /nfs/dbraw/zinc/96/54/42/458965442.db2.gz DUUPJOBBCCMHEC-MYGLTJDJSA-N 2 1 342.527 3.285 20 0 EGADMP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)nc1 ZINC000566619157 458970934 /nfs/dbraw/zinc/97/09/34/458970934.db2.gz AHZCUBJNSFKFED-IBGZPJMESA-N 2 1 336.483 3.114 20 0 EGADMP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)nc1 ZINC000566619157 458970938 /nfs/dbraw/zinc/97/09/38/458970938.db2.gz AHZCUBJNSFKFED-IBGZPJMESA-N 2 1 336.483 3.114 20 0 EGADMP C[N@H+](Cc1c(F)cccc1OC(F)(F)F)CC1CC[NH+](C)CC1 ZINC000556603333 458976599 /nfs/dbraw/zinc/97/65/99/458976599.db2.gz HYTJGUPHDSRLJO-UHFFFAOYSA-N 2 1 334.357 3.498 20 0 EGADMP C[N@@H+](CCCC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000495880142 458992023 /nfs/dbraw/zinc/99/20/23/458992023.db2.gz YABCVOKENXPVPX-UHFFFAOYSA-N 2 1 339.524 3.286 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000531899716 458996490 /nfs/dbraw/zinc/99/64/90/458996490.db2.gz MYJCWOVYRYMYIF-IEBWSBKVSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566985351 459031667 /nfs/dbraw/zinc/03/16/67/459031667.db2.gz GMDNOGNJKVRRLR-AQNXPRMDSA-N 2 1 329.532 3.319 20 0 EGADMP CC(C)(C)[C@H](CN1CCc2ccccc2C1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566985351 459031672 /nfs/dbraw/zinc/03/16/72/459031672.db2.gz GMDNOGNJKVRRLR-AQNXPRMDSA-N 2 1 329.532 3.319 20 0 EGADMP CC(C)[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(F)ccc1F ZINC000442864267 459047228 /nfs/dbraw/zinc/04/72/28/459047228.db2.gz CGHLGUCPOCJZGT-GOSISDBHSA-N 2 1 339.474 3.278 20 0 EGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc2c(s1)CCCC2 ZINC000442873676 459048257 /nfs/dbraw/zinc/04/82/57/459048257.db2.gz KYLAZLNCJNSUMY-HNNXBMFYSA-N 2 1 335.561 3.304 20 0 EGADMP CC(C)COc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442878030 459049970 /nfs/dbraw/zinc/04/99/70/459049970.db2.gz SBJZVRUSDGEXOL-SFHVURJKSA-N 2 1 347.547 3.398 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000577584699 459054243 /nfs/dbraw/zinc/05/42/43/459054243.db2.gz UCWGGOAFZOCZRD-ASOPQSNTSA-N 2 1 346.515 3.341 20 0 EGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000442893309 459057194 /nfs/dbraw/zinc/05/71/94/459057194.db2.gz XTTZTDICSDYRTK-HZPDHXFCSA-N 2 1 337.939 3.448 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000532280100 459059795 /nfs/dbraw/zinc/05/97/95/459059795.db2.gz YEQUDDSFMRSXCM-HOJAQTOUSA-N 2 1 342.483 3.073 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000532280100 459059799 /nfs/dbraw/zinc/05/97/99/459059799.db2.gz YEQUDDSFMRSXCM-HOJAQTOUSA-N 2 1 342.483 3.073 20 0 EGADMP CCc1ccccc1NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000557481667 459076591 /nfs/dbraw/zinc/07/65/91/459076591.db2.gz QJMOWEJYKUMGFK-UHFFFAOYSA-N 2 1 343.515 3.384 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1)c1cc2ccccc2o1 ZINC000443058134 459080050 /nfs/dbraw/zinc/08/00/50/459080050.db2.gz JLDQODDJVWEEOV-HRCADAONSA-N 2 1 343.471 3.059 20 0 EGADMP Cc1sc2[nH]c([C@@H](C)[N@@H+]3CCC[C@@H](CC[NH3+])C3)nc(=O)c2c1C ZINC000443068913 459083108 /nfs/dbraw/zinc/08/31/08/459083108.db2.gz IWOFUROCBZYAKM-YPMHNXCESA-N 2 1 334.489 3.136 20 0 EGADMP Cc1sc2[nH]c([C@@H](C)[N@H+]3CCC[C@@H](CC[NH3+])C3)nc(=O)c2c1C ZINC000443068913 459083111 /nfs/dbraw/zinc/08/31/11/459083111.db2.gz IWOFUROCBZYAKM-YPMHNXCESA-N 2 1 334.489 3.136 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000532450339 459089628 /nfs/dbraw/zinc/08/96/28/459089628.db2.gz JWLCLDPDRNWACY-SFHVURJKSA-N 2 1 333.520 3.072 20 0 EGADMP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C(C)C ZINC000594583425 459097294 /nfs/dbraw/zinc/09/72/94/459097294.db2.gz LXVUKDXSOZBXEM-QYZOEREBSA-N 2 1 332.488 3.436 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H](C)c1ccccc1 ZINC000532516938 459105174 /nfs/dbraw/zinc/10/51/74/459105174.db2.gz SAHSWBUKCAGQFF-DXIQSLLYSA-N 2 1 338.495 3.405 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H](C)c1ccccc1 ZINC000532516938 459105178 /nfs/dbraw/zinc/10/51/78/459105178.db2.gz SAHSWBUKCAGQFF-DXIQSLLYSA-N 2 1 338.495 3.405 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000532537893 459107463 /nfs/dbraw/zinc/10/74/63/459107463.db2.gz UMHFUDKYUQVQPU-UHFFFAOYSA-N 3 1 326.488 3.425 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000496217431 459113282 /nfs/dbraw/zinc/11/32/82/459113282.db2.gz PSAUMABUXZBHOF-GVDBMIGSSA-N 2 1 339.524 3.238 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000496217431 459113287 /nfs/dbraw/zinc/11/32/87/459113287.db2.gz PSAUMABUXZBHOF-GVDBMIGSSA-N 2 1 339.524 3.238 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000496217431 459113293 /nfs/dbraw/zinc/11/32/93/459113293.db2.gz PSAUMABUXZBHOF-GVDBMIGSSA-N 2 1 339.524 3.238 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)CC1 ZINC000578050562 459137842 /nfs/dbraw/zinc/13/78/42/459137842.db2.gz DUGFYQABLCBZIK-FQEVSTJZSA-N 2 1 336.483 3.307 20 0 EGADMP COc1ccc(C[C@H](C)C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1F ZINC000578050455 459137990 /nfs/dbraw/zinc/13/79/90/459137990.db2.gz AWUILRFJUXBXSM-IEZWGBDMSA-N 2 1 334.479 3.429 20 0 EGADMP COc1ccc(C[C@H](C)C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1F ZINC000578050455 459137995 /nfs/dbraw/zinc/13/79/95/459137995.db2.gz AWUILRFJUXBXSM-IEZWGBDMSA-N 2 1 334.479 3.429 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](CNCC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000558419330 459156812 /nfs/dbraw/zinc/15/68/12/459156812.db2.gz NPDQJSCAAMRJFB-FQEVSTJZSA-N 2 1 331.548 3.465 20 0 EGADMP CC(C)[NH+]1CC[C@@H](CNCC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000558419330 459156814 /nfs/dbraw/zinc/15/68/14/459156814.db2.gz NPDQJSCAAMRJFB-FQEVSTJZSA-N 3 1 331.548 3.465 20 0 EGADMP CC(C)[NH+]1CC[C@@H](CNCC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000558419330 459156817 /nfs/dbraw/zinc/15/68/17/459156817.db2.gz NPDQJSCAAMRJFB-FQEVSTJZSA-N 3 1 331.548 3.465 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000558419330 459156820 /nfs/dbraw/zinc/15/68/20/459156820.db2.gz NPDQJSCAAMRJFB-FQEVSTJZSA-N 3 1 331.548 3.465 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000558419330 459156823 /nfs/dbraw/zinc/15/68/23/459156823.db2.gz NPDQJSCAAMRJFB-FQEVSTJZSA-N 3 1 331.548 3.465 20 0 EGADMP CC(C)[NH+]1CC[C@@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000558419330 459156828 /nfs/dbraw/zinc/15/68/28/459156828.db2.gz NPDQJSCAAMRJFB-FQEVSTJZSA-N 3 1 331.548 3.465 20 0 EGADMP CC(C)[NH+]1CC[C@@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000558419330 459156829 /nfs/dbraw/zinc/15/68/29/459156829.db2.gz NPDQJSCAAMRJFB-FQEVSTJZSA-N 3 1 331.548 3.465 20 0 EGADMP FC(F)(F)c1cccc(OCCCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479756531 459165302 /nfs/dbraw/zinc/16/53/02/459165302.db2.gz OQRNHRUAJHDDPZ-OKILXGFUSA-N 2 1 328.378 3.016 20 0 EGADMP COC1(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCCCC1 ZINC000480368631 459196435 /nfs/dbraw/zinc/19/64/35/459196435.db2.gz DLBWHOXANWXFCW-FQEVSTJZSA-N 2 1 330.516 3.490 20 0 EGADMP CCN(C(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC000590786728 459218727 /nfs/dbraw/zinc/21/87/27/459218727.db2.gz KKMIJCKYVTZYDF-SFHVURJKSA-N 2 1 345.531 3.480 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496639575 459269002 /nfs/dbraw/zinc/26/90/02/459269002.db2.gz KDOSCYGPZOISKC-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+]1CCC(CCO)([NH2+]Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000568532708 459304637 /nfs/dbraw/zinc/30/46/37/459304637.db2.gz JXNHWDCPUZTRID-UHFFFAOYSA-N 2 1 340.467 3.415 20 0 EGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496755048 459311825 /nfs/dbraw/zinc/31/18/25/459311825.db2.gz QJJXPVHOTABGEM-LUKYLMHMSA-N 2 1 339.524 3.237 20 0 EGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496755048 459311829 /nfs/dbraw/zinc/31/18/29/459311829.db2.gz QJJXPVHOTABGEM-LUKYLMHMSA-N 2 1 339.524 3.237 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(N3CCCC3)nc2)CC1 ZINC000534332154 459315972 /nfs/dbraw/zinc/31/59/72/459315972.db2.gz OCGFYAZMEGLVAV-UHFFFAOYSA-N 2 1 345.535 3.021 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](CC2(OC)CCCCC2)CC1 ZINC000483261744 459355096 /nfs/dbraw/zinc/35/50/96/459355096.db2.gz SXWRTNOATBXLPB-UHFFFAOYSA-N 2 1 340.552 3.406 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](C)CCC[C@H]3C)CC2)CC1 ZINC000582496604 459375366 /nfs/dbraw/zinc/37/53/66/459375366.db2.gz LJYNWECTNNDUDS-QZTJIDSGSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CCC(CCO)([NH2+]CC2CCC(c3ccccc3)CC2)CC1 ZINC000568990456 459378211 /nfs/dbraw/zinc/37/82/11/459378211.db2.gz IKORUVRCEAGQOW-UHFFFAOYSA-N 2 1 330.516 3.397 20 0 EGADMP CCC[NH+](CCC)CCCNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000483736847 459388067 /nfs/dbraw/zinc/38/80/67/459388067.db2.gz SUBGUJQCHCLRQT-MSOLQXFVSA-N 2 1 340.556 3.013 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CC12CCOCC2 ZINC000582725148 459417364 /nfs/dbraw/zinc/41/73/64/459417364.db2.gz GSMZXJOPFHWDKV-OAHLLOKOSA-N 2 1 345.874 3.076 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c(OC[C@@H]2CCOC2)c1 ZINC000484646144 459424359 /nfs/dbraw/zinc/42/43/59/459424359.db2.gz OPRVTUDHLKSUAE-AJYBTWMASA-N 2 1 346.515 3.229 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(OC[C@@H]2CCOC2)c1 ZINC000484646144 459424363 /nfs/dbraw/zinc/42/43/63/459424363.db2.gz OPRVTUDHLKSUAE-AJYBTWMASA-N 2 1 346.515 3.229 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@@H](C)CCCC(C)C)C[C@@H]1C ZINC000484907109 459434307 /nfs/dbraw/zinc/43/43/07/459434307.db2.gz IVEBORUPYDAFHO-BZSNNMDCSA-N 2 1 325.541 3.122 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@H](C)CCCC(C)C)C[C@@H]1C ZINC000484907120 459434446 /nfs/dbraw/zinc/43/44/46/459434446.db2.gz IVEBORUPYDAFHO-SQNIBIBYSA-N 2 1 325.541 3.122 20 0 EGADMP CC1(C)CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000541544138 459464323 /nfs/dbraw/zinc/46/43/23/459464323.db2.gz QOLGLZSRUNPHTL-MOPGFXCFSA-N 2 1 343.515 3.052 20 0 EGADMP CCCC[C@@H](C)[N@H+](CCCC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000583040417 459471647 /nfs/dbraw/zinc/47/16/47/459471647.db2.gz FSMIETJOPZYYDH-GOSISDBHSA-N 2 1 347.551 3.409 20 0 EGADMP CCCC[C@@H](C)[N@@H+](CCCC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000583040417 459471648 /nfs/dbraw/zinc/47/16/48/459471648.db2.gz FSMIETJOPZYYDH-GOSISDBHSA-N 2 1 347.551 3.409 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000562039373 459506064 /nfs/dbraw/zinc/50/60/64/459506064.db2.gz GTJIKUCWWLDKAO-XGUBFFRZSA-N 2 1 336.442 3.442 20 0 EGADMP C[C@H]([NH2+]CC(=O)NC1CCCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529356 459568050 /nfs/dbraw/zinc/56/80/50/459568050.db2.gz YZLYDOYLEPDDPP-DLBZAZTESA-N 2 1 335.536 3.068 20 0 EGADMP C[C@H]([NH2+]CC(=O)NC1CCCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529356 459568055 /nfs/dbraw/zinc/56/80/55/459568055.db2.gz YZLYDOYLEPDDPP-DLBZAZTESA-N 2 1 335.536 3.068 20 0 EGADMP C[NH+](C)Cc1ccc(C[NH2+][C@H](c2ccccc2)c2cncnc2)cc1 ZINC000542669148 459581393 /nfs/dbraw/zinc/58/13/93/459581393.db2.gz AMNHGUQJURRFKX-OAQYLSRUSA-N 2 1 332.451 3.417 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000542701805 459583848 /nfs/dbraw/zinc/58/38/48/459583848.db2.gz LCQXFOMUEZARAJ-XFHJGTJQSA-N 2 1 338.442 3.411 20 0 EGADMP COc1cc(C[N@@H+](C)CCCc2cncn2C)ccc1OC(F)F ZINC000573132886 459630332 /nfs/dbraw/zinc/63/03/32/459630332.db2.gz MMMYVBXSOOMUNM-UHFFFAOYSA-N 2 1 339.386 3.095 20 0 EGADMP COc1cc(C[N@H+](C)CCCc2c[nH+]cn2C)ccc1OC(F)F ZINC000573132886 459630342 /nfs/dbraw/zinc/63/03/42/459630342.db2.gz MMMYVBXSOOMUNM-UHFFFAOYSA-N 2 1 339.386 3.095 20 0 EGADMP COc1cc(C[N@@H+](C)CCCc2c[nH+]cn2C)ccc1OC(F)F ZINC000573132886 459630349 /nfs/dbraw/zinc/63/03/49/459630349.db2.gz MMMYVBXSOOMUNM-UHFFFAOYSA-N 2 1 339.386 3.095 20 0 EGADMP Cc1ncccc1Cc1noc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000573310531 459656576 /nfs/dbraw/zinc/65/65/76/459656576.db2.gz CDPNQJNJDSTVKN-SFHVURJKSA-N 2 1 349.438 3.138 20 0 EGADMP Cc1ncccc1Cc1noc([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000573310531 459656580 /nfs/dbraw/zinc/65/65/80/459656580.db2.gz CDPNQJNJDSTVKN-SFHVURJKSA-N 2 1 349.438 3.138 20 0 EGADMP CC(C)C[N@@H+]1CCO[C@H](CNCc2ccsc2C(F)(F)F)C1 ZINC000527631211 459677145 /nfs/dbraw/zinc/67/71/45/459677145.db2.gz KLBYNHPDTFAANM-CYBMUJFWSA-N 2 1 336.423 3.213 20 0 EGADMP CC(C)C[N@H+]1CCO[C@H](CNCc2ccsc2C(F)(F)F)C1 ZINC000527631211 459677149 /nfs/dbraw/zinc/67/71/49/459677149.db2.gz KLBYNHPDTFAANM-CYBMUJFWSA-N 2 1 336.423 3.213 20 0 EGADMP CC(C)[NH2+]CCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000584225914 459685806 /nfs/dbraw/zinc/68/58/06/459685806.db2.gz JRMIQHYFQRPCDP-PWRODBHTSA-N 2 1 329.532 3.265 20 0 EGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000584225914 459685811 /nfs/dbraw/zinc/68/58/11/459685811.db2.gz JRMIQHYFQRPCDP-PWRODBHTSA-N 3 1 329.532 3.265 20 0 EGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000584225914 459685813 /nfs/dbraw/zinc/68/58/13/459685813.db2.gz JRMIQHYFQRPCDP-PWRODBHTSA-N 3 1 329.532 3.265 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c1 ZINC000562987619 459686661 /nfs/dbraw/zinc/68/66/61/459686661.db2.gz TYEXQMBRPYOUNW-LAUBAEHRSA-N 2 1 326.484 3.393 20 0 EGADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000563064525 459707998 /nfs/dbraw/zinc/70/79/98/459707998.db2.gz MRQSHNQKMMYAPI-UZLBHIALSA-N 2 1 343.515 3.065 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)[C@H](C)C1 ZINC000544357268 459752065 /nfs/dbraw/zinc/75/20/65/459752065.db2.gz IUZGOUOITFHIJZ-CYPWRKRPSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)[C@H](C)C1 ZINC000544357268 459752068 /nfs/dbraw/zinc/75/20/68/459752068.db2.gz IUZGOUOITFHIJZ-CYPWRKRPSA-N 2 1 330.516 3.284 20 0 EGADMP C[NH+](C)CCCCC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000584503443 459754298 /nfs/dbraw/zinc/75/42/98/459754298.db2.gz KTPHTCQCCGONSO-FQEVSTJZSA-N 2 1 345.531 3.137 20 0 EGADMP CC(C)c1cccc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000527867989 459762645 /nfs/dbraw/zinc/76/26/45/459762645.db2.gz ZQWZKWCBLRAOIP-QGZVFWFLSA-N 2 1 345.531 3.403 20 0 EGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc(F)c(Br)cc1F ZINC000527892072 459767992 /nfs/dbraw/zinc/76/79/92/459767992.db2.gz MXNQTJGYZFVXNI-SECBINFHSA-N 2 1 344.203 3.354 20 0 EGADMP COCCC1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000527932997 459775786 /nfs/dbraw/zinc/77/57/86/459775786.db2.gz GYIDOCGEOLEHLI-UHFFFAOYSA-N 2 1 330.516 3.442 20 0 EGADMP Fc1cc(Br)cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000574206552 459791671 /nfs/dbraw/zinc/79/16/71/459791671.db2.gz XMTRKIDBEVKWDF-CQSZACIVSA-N 2 1 341.268 3.410 20 0 EGADMP O[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000574280908 459801993 /nfs/dbraw/zinc/80/19/93/459801993.db2.gz NMIBFPNIQZNCQP-HBMCJLEFSA-N 2 1 328.500 3.136 20 0 EGADMP O[C@@H]1CCCC[C@H]1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000574280908 459801998 /nfs/dbraw/zinc/80/19/98/459801998.db2.gz NMIBFPNIQZNCQP-HBMCJLEFSA-N 2 1 328.500 3.136 20 0 EGADMP O[C@@H]1CCCC[C@H]1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000574280908 459802003 /nfs/dbraw/zinc/80/20/03/459802003.db2.gz NMIBFPNIQZNCQP-HBMCJLEFSA-N 2 1 328.500 3.136 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000546016885 459889079 /nfs/dbraw/zinc/88/90/79/459889079.db2.gz QBUBMFOCTPASLE-HDICACEKSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000546016885 459889086 /nfs/dbraw/zinc/88/90/86/459889086.db2.gz QBUBMFOCTPASLE-HDICACEKSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000546016885 459889093 /nfs/dbraw/zinc/88/90/93/459889093.db2.gz QBUBMFOCTPASLE-HDICACEKSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)CC[N@H+]1C ZINC000593723572 459963634 /nfs/dbraw/zinc/96/36/34/459963634.db2.gz YNFFOBXLIKVFTL-PLMTUMEDSA-N 2 1 346.515 3.358 20 0 EGADMP CC(C)[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(F)c(F)c1 ZINC000575377600 459967470 /nfs/dbraw/zinc/96/74/70/459967470.db2.gz YGMYCCHSFRVMSE-KRWDZBQOSA-N 2 1 349.429 3.037 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593735034 459967862 /nfs/dbraw/zinc/96/78/62/459967862.db2.gz VCJJOCCTFDBSSS-DJJJIMSYSA-N 2 1 344.480 3.249 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593735034 459967869 /nfs/dbraw/zinc/96/78/69/459967869.db2.gz VCJJOCCTFDBSSS-DJJJIMSYSA-N 2 1 344.480 3.249 20 0 EGADMP COc1nc2ccccc2cc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000575600657 459977930 /nfs/dbraw/zinc/97/79/30/459977930.db2.gz ZURJSZMIVSMYRT-APWZRJJASA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000575600657 459977939 /nfs/dbraw/zinc/97/79/39/459977939.db2.gz ZURJSZMIVSMYRT-APWZRJJASA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000575600657 459977949 /nfs/dbraw/zinc/97/79/49/459977949.db2.gz ZURJSZMIVSMYRT-APWZRJJASA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000575600657 459977956 /nfs/dbraw/zinc/97/79/56/459977956.db2.gz ZURJSZMIVSMYRT-APWZRJJASA-N 2 1 325.456 3.160 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](CC(C)C)C3)CC2)CC1 ZINC000575879916 460025791 /nfs/dbraw/zinc/02/57/91/460025791.db2.gz DNVLHHDCAHXBCO-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000575985179 460046348 /nfs/dbraw/zinc/04/63/48/460046348.db2.gz UNIJCJGWASDXLL-KRWDZBQOSA-N 2 1 329.513 3.360 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000575985179 460046358 /nfs/dbraw/zinc/04/63/58/460046358.db2.gz UNIJCJGWASDXLL-KRWDZBQOSA-N 2 1 329.513 3.360 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2C)c2ccccc21 ZINC000621753760 460050039 /nfs/dbraw/zinc/05/00/39/460050039.db2.gz VBMLRWPCGJMZPX-GOSISDBHSA-N 2 1 326.444 3.059 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000589205738 460054159 /nfs/dbraw/zinc/05/41/59/460054159.db2.gz HUZNPUGJMJLCQH-CRAIPNDOSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000589205738 460054167 /nfs/dbraw/zinc/05/41/67/460054167.db2.gz HUZNPUGJMJLCQH-CRAIPNDOSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000589205738 460054174 /nfs/dbraw/zinc/05/41/74/460054174.db2.gz HUZNPUGJMJLCQH-CRAIPNDOSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000589205738 460054180 /nfs/dbraw/zinc/05/41/80/460054180.db2.gz HUZNPUGJMJLCQH-CRAIPNDOSA-N 2 1 332.488 3.414 20 0 EGADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000621780234 460061594 /nfs/dbraw/zinc/06/15/94/460061594.db2.gz OZRZDNHAVJOGBS-BZNIZROVSA-N 2 1 342.270 3.135 20 0 EGADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000621780234 460061600 /nfs/dbraw/zinc/06/16/00/460061600.db2.gz OZRZDNHAVJOGBS-BZNIZROVSA-N 2 1 342.270 3.135 20 0 EGADMP Cn1nc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c2ccccc21 ZINC000589639189 460118041 /nfs/dbraw/zinc/11/80/41/460118041.db2.gz TWVDTTWNBLADPP-UHFFFAOYSA-N 2 1 334.467 3.459 20 0 EGADMP CC(C)c1ccc(-c2noc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)n2)cc1 ZINC000576704356 460197650 /nfs/dbraw/zinc/19/76/50/460197650.db2.gz LYEJEAUXBMWSLB-OKZBNKHCSA-N 2 1 340.471 3.419 20 0 EGADMP CC(C)c1ccc(-c2noc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)n2)cc1 ZINC000576704356 460197659 /nfs/dbraw/zinc/19/76/59/460197659.db2.gz LYEJEAUXBMWSLB-OKZBNKHCSA-N 2 1 340.471 3.419 20 0 EGADMP C[C@H]1C[C@H](C)C[NH+](CCCNC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000576811664 460217577 /nfs/dbraw/zinc/21/75/77/460217577.db2.gz KKPOUFHCUDQLCB-HOTGVXAUSA-N 2 1 349.485 3.361 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000576816728 460218935 /nfs/dbraw/zinc/21/89/35/460218935.db2.gz HDUQUIPBTFWGQV-INIZCTEOSA-N 2 1 335.467 3.112 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3cc(C)c(OC)cc3C)C2)CC1 ZINC000614962714 460253771 /nfs/dbraw/zinc/25/37/71/460253771.db2.gz FAYMOHYZCGJLTF-MOPGFXCFSA-N 2 1 345.531 3.085 20 0 EGADMP FC1(F)CCC[N@@H+](CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000625772093 460257880 /nfs/dbraw/zinc/25/78/80/460257880.db2.gz MXUQWGYCHYVLDE-UHFFFAOYSA-N 2 1 337.458 3.320 20 0 EGADMP Cc1cc(C)c([C@H](C)[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(C)c1 ZINC000604389354 460418130 /nfs/dbraw/zinc/41/81/30/460418130.db2.gz ZKEDRZZDTZRQOV-PMACEKPBSA-N 2 1 329.532 3.385 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(OC)ccc32)[C@H](C)C1 ZINC000631579930 460455778 /nfs/dbraw/zinc/45/57/78/460455778.db2.gz CRNMNESNZWNUIM-CZAAIQMYSA-N 2 1 346.515 3.409 20 0 EGADMP O[C@@]1(C[NH2+]CC2CCC(F)(F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634712358 460488616 /nfs/dbraw/zinc/48/86/16/460488616.db2.gz DPKLICALBDBBNO-GOSISDBHSA-N 2 1 338.442 3.039 20 0 EGADMP O[C@@]1(C[NH2+]CC2CCC(F)(F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634712358 460488621 /nfs/dbraw/zinc/48/86/21/460488621.db2.gz DPKLICALBDBBNO-GOSISDBHSA-N 2 1 338.442 3.039 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000631665027 460499966 /nfs/dbraw/zinc/49/99/66/460499966.db2.gz UOFUUBXVVYDSSU-NQIIRXRSSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000631665027 460499972 /nfs/dbraw/zinc/49/99/72/460499972.db2.gz UOFUUBXVVYDSSU-NQIIRXRSSA-N 3 1 341.543 3.219 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000631665027 460499977 /nfs/dbraw/zinc/49/99/77/460499977.db2.gz UOFUUBXVVYDSSU-NQIIRXRSSA-N 3 1 341.543 3.219 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000631666088 460500019 /nfs/dbraw/zinc/50/00/19/460500019.db2.gz ZUGPANOOWPIWQN-YVWKXTFCSA-N 2 1 338.499 3.155 20 0 EGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000631668097 460501972 /nfs/dbraw/zinc/50/19/72/460501972.db2.gz VLLBEXFSZAOWRJ-LQWHRVPQSA-N 3 1 329.532 3.074 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000631668097 460501975 /nfs/dbraw/zinc/50/19/75/460501975.db2.gz VLLBEXFSZAOWRJ-LQWHRVPQSA-N 2 1 329.532 3.074 20 0 EGADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@@H](O)C(F)(F)F ZINC000631716192 460528558 /nfs/dbraw/zinc/52/85/58/460528558.db2.gz JQFPPZXBBVHZAG-YJNKEBTESA-N 2 1 344.421 3.331 20 0 EGADMP Cc1ccccc1OCCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563554 460811603 /nfs/dbraw/zinc/81/16/03/460811603.db2.gz RPHXDZLZYLNZCI-GJZGRUSLSA-N 2 1 330.394 3.223 20 0 EGADMP Cc1ccccc1OCCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563554 460811608 /nfs/dbraw/zinc/81/16/08/460811608.db2.gz RPHXDZLZYLNZCI-GJZGRUSLSA-N 2 1 330.394 3.223 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617351303 460825008 /nfs/dbraw/zinc/82/50/08/460825008.db2.gz IMPAZOWLEJVRCE-QZTJIDSGSA-N 2 1 331.504 3.059 20 0 EGADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000629667125 460857577 /nfs/dbraw/zinc/85/75/77/460857577.db2.gz URNXVGCVOVLBIZ-UHFFFAOYSA-N 2 1 336.382 3.164 20 0 EGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1C ZINC000624119672 460868459 /nfs/dbraw/zinc/86/84/59/460868459.db2.gz GVHOZSITUICRGH-AEFFLSMTSA-N 2 1 331.504 3.342 20 0 EGADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624122152 460870953 /nfs/dbraw/zinc/87/09/53/460870953.db2.gz KWWNGLFBTYYWEE-MSOLQXFVSA-N 2 1 334.504 3.346 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)CC3 ZINC000624121838 460870979 /nfs/dbraw/zinc/87/09/79/460870979.db2.gz DPIPUGPHHNRIHP-JKSUJKDBSA-N 2 1 341.499 3.355 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Br)cn1 ZINC000624123547 460872070 /nfs/dbraw/zinc/87/20/70/460872070.db2.gz NWEWRPGQZUGOFD-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Br)cn1 ZINC000624123547 460872054 /nfs/dbraw/zinc/87/20/54/460872054.db2.gz NWEWRPGQZUGOFD-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(Br)cn1 ZINC000624123547 460872062 /nfs/dbraw/zinc/87/20/62/460872062.db2.gz NWEWRPGQZUGOFD-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP c1cc(-c2ccc(C[NH+]3CCOCC3)cc2)ccc1C[C@@H]1CC[NH2+]C1 ZINC000629732858 460893582 /nfs/dbraw/zinc/89/35/82/460893582.db2.gz GRHRILDAMRNIBP-FQEVSTJZSA-N 2 1 336.479 3.338 20 0 EGADMP Cc1cn2ccc(NC(=O)NCCCC[N@@H+]3CCCC[C@H]3C)cc2n1 ZINC000668151900 461138102 /nfs/dbraw/zinc/13/81/02/461138102.db2.gz RWRUUJYZYPVJJI-MRXNPFEDSA-N 2 1 343.475 3.419 20 0 EGADMP Cc1csc([C@@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000662260180 461148147 /nfs/dbraw/zinc/14/81/47/461148147.db2.gz IXZHJLRUDJLVJE-QGZVFWFLSA-N 2 1 327.497 3.477 20 0 EGADMP Cc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])C2CC2)cc1 ZINC000652353809 461151171 /nfs/dbraw/zinc/15/11/71/461151171.db2.gz DMFZTMWRBMJCRY-PBEJRMEISA-N 2 1 343.515 3.012 20 0 EGADMP Cc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])C2CC2)cc1 ZINC000652353809 461151180 /nfs/dbraw/zinc/15/11/80/461151180.db2.gz DMFZTMWRBMJCRY-PBEJRMEISA-N 2 1 343.515 3.012 20 0 EGADMP Cn1cncc1CCC[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000662269981 461157180 /nfs/dbraw/zinc/15/71/80/461157180.db2.gz FVFFDOKJCSJIBL-TZIWHRDSSA-N 2 1 340.515 3.025 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)on2)cc1 ZINC000662283818 461165018 /nfs/dbraw/zinc/16/50/18/461165018.db2.gz QDPDVYJYNXKUDC-OAHLLOKOSA-N 2 1 341.455 3.314 20 0 EGADMP CC[N@H+](Cc1ccc(=O)[nH]c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638138404 461267000 /nfs/dbraw/zinc/26/70/00/461267000.db2.gz AIDBSWLZOIJKDI-LJQANCHMSA-N 2 1 325.456 3.131 20 0 EGADMP CC[NH+](Cc1ccc(=O)[nH]c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638138404 461267010 /nfs/dbraw/zinc/26/70/10/461267010.db2.gz AIDBSWLZOIJKDI-LJQANCHMSA-N 2 1 325.456 3.131 20 0 EGADMP CC[NH+](Cc1ccc(=O)[nH]c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638138404 461267022 /nfs/dbraw/zinc/26/70/22/461267022.db2.gz AIDBSWLZOIJKDI-LJQANCHMSA-N 2 1 325.456 3.131 20 0 EGADMP c1ccc2c(c1)cccc2OCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655702151 461374135 /nfs/dbraw/zinc/37/41/35/461374135.db2.gz YKWOAMSCJSNZTD-IBGZPJMESA-N 2 1 340.467 3.062 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CS1 ZINC000638335619 461374952 /nfs/dbraw/zinc/37/49/52/461374952.db2.gz QECGENRIGWMILH-OLMMMNRUSA-N 2 1 334.529 3.279 20 0 EGADMP COc1ccccc1C(C)(C)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655704416 461376590 /nfs/dbraw/zinc/37/65/90/461376590.db2.gz WYSLGVWFOXJLSQ-SFHVURJKSA-N 2 1 346.515 3.206 20 0 EGADMP Cc1cccc(C)c1OC[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655706986 461378536 /nfs/dbraw/zinc/37/85/36/461378536.db2.gz QDMCVVNRMUPADD-AZUAARDMSA-N 2 1 346.515 3.304 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000641805183 461380563 /nfs/dbraw/zinc/38/05/63/461380563.db2.gz MZLBOGLHVBQTDP-ZEGGKSINSA-N 2 1 330.259 3.036 20 0 EGADMP CO[C@H](C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CCOC1 ZINC000638363302 461388849 /nfs/dbraw/zinc/38/88/49/461388849.db2.gz LAYDEXDAFPNHIG-JRGCBEDISA-N 2 1 346.515 3.060 20 0 EGADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccnc1 ZINC000655721170 461389501 /nfs/dbraw/zinc/38/95/01/461389501.db2.gz MGHPHONKXTZTHP-WOJBJXKFSA-N 2 1 331.504 3.054 20 0 EGADMP Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638377962 461396658 /nfs/dbraw/zinc/39/66/58/461396658.db2.gz KZCKCPOKUOFXQX-QGZVFWFLSA-N 2 1 334.504 3.426 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000655729204 461397556 /nfs/dbraw/zinc/39/75/56/461397556.db2.gz DMPUQMGPIXMPRD-CQSZACIVSA-N 2 1 341.434 3.251 20 0 EGADMP CC[N@H+]1CC[C@H](CN[C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382205 461398070 /nfs/dbraw/zinc/39/80/70/461398070.db2.gz TWJDDKWPUBUWSB-SLYNCCJLSA-N 2 1 327.516 3.286 20 0 EGADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382205 461398077 /nfs/dbraw/zinc/39/80/77/461398077.db2.gz TWJDDKWPUBUWSB-SLYNCCJLSA-N 2 1 327.516 3.286 20 0 EGADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382205 461398082 /nfs/dbraw/zinc/39/80/82/461398082.db2.gz TWJDDKWPUBUWSB-SLYNCCJLSA-N 2 1 327.516 3.286 20 0 EGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382205 461398090 /nfs/dbraw/zinc/39/80/90/461398090.db2.gz TWJDDKWPUBUWSB-SLYNCCJLSA-N 2 1 327.516 3.286 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382205 461398098 /nfs/dbraw/zinc/39/80/98/461398098.db2.gz TWJDDKWPUBUWSB-SLYNCCJLSA-N 2 1 327.516 3.286 20 0 EGADMP C[C@]1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCc2ccccc21 ZINC000655735039 461403458 /nfs/dbraw/zinc/40/34/58/461403458.db2.gz CRFPHSYJFCXADD-TZIWHRDSSA-N 2 1 328.500 3.124 20 0 EGADMP Cn1c2ccc(NC3CC[NH+]([C@@H]4CCOC4)CC3)cc2[nH+]c1C1CC1 ZINC000655752892 461417778 /nfs/dbraw/zinc/41/77/78/461417778.db2.gz QSEHVSYIEMOFID-QGZVFWFLSA-N 2 1 340.471 3.116 20 0 EGADMP CCC(CC)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000655753322 461420804 /nfs/dbraw/zinc/42/08/04/461420804.db2.gz XGODPRDOWJPFSN-AQNXPRMDSA-N 2 1 338.536 3.203 20 0 EGADMP CCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1 ZINC000655759581 461423929 /nfs/dbraw/zinc/42/39/29/461423929.db2.gz CRTYFLKSVTYDID-LJQANCHMSA-N 2 1 332.488 3.127 20 0 EGADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1(C)C ZINC000655776097 461439888 /nfs/dbraw/zinc/43/98/88/461439888.db2.gz HVTCECHSEOBACK-OKZBNKHCSA-N 2 1 338.536 3.202 20 0 EGADMP OCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000666120036 461461055 /nfs/dbraw/zinc/46/10/55/461461055.db2.gz GCIPQTPTHGYRHP-LPHOPBHVSA-N 2 1 336.907 3.413 20 0 EGADMP CC(C)(C[NH2+]CC1([NH+]2CCCC2)CCOCC1)Oc1ccccc1 ZINC000638557773 461482827 /nfs/dbraw/zinc/48/28/27/461482827.db2.gz RXJWPDBELYJYIH-UHFFFAOYSA-N 2 1 332.488 3.079 20 0 EGADMP C[N@H+](CC[C@H]1Sc2ccccc2NC1=O)CC[C@@H]1CCCC[NH+]1C ZINC000659958999 461515407 /nfs/dbraw/zinc/51/54/07/461515407.db2.gz BPCXGFATHHJQNX-MAUKXSAKSA-N 2 1 347.528 3.296 20 0 EGADMP C[NH+](CC[C@H]1Sc2ccccc2NC1=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000659958999 461515414 /nfs/dbraw/zinc/51/54/14/461515414.db2.gz BPCXGFATHHJQNX-MAUKXSAKSA-N 2 1 347.528 3.296 20 0 EGADMP C[NH+](CC[C@H]1Sc2ccccc2NC1=O)CC[C@@H]1CCCC[N@H+]1C ZINC000659958999 461515421 /nfs/dbraw/zinc/51/54/21/461515421.db2.gz BPCXGFATHHJQNX-MAUKXSAKSA-N 2 1 347.528 3.296 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(OC)c2Cl)C1 ZINC000659978588 461526168 /nfs/dbraw/zinc/52/61/68/461526168.db2.gz FQTCQNCFNDZMLX-INIZCTEOSA-N 2 1 340.895 3.281 20 0 EGADMP CC[N@@H+](CCCNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000653200512 461554887 /nfs/dbraw/zinc/55/48/87/461554887.db2.gz GYYQVHZXLUEECQ-ROUUACIJSA-N 2 1 337.552 3.173 20 0 EGADMP COc1cc2c(c(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)c1)O[C@H](C)C2 ZINC000663346196 461577081 /nfs/dbraw/zinc/57/70/81/461577081.db2.gz QHXIPYPSCWUUBE-WBVHZDCISA-N 2 1 344.499 3.230 20 0 EGADMP COc1cc2c(c(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)c1)O[C@H](C)C2 ZINC000663346196 461577092 /nfs/dbraw/zinc/57/70/92/461577092.db2.gz QHXIPYPSCWUUBE-WBVHZDCISA-N 2 1 344.499 3.230 20 0 EGADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)n1-c1ccccc1 ZINC000663346226 461577204 /nfs/dbraw/zinc/57/72/04/461577204.db2.gz RAINEFXFTRPROR-LJQANCHMSA-N 2 1 338.499 3.392 20 0 EGADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)n1-c1ccccc1 ZINC000663346226 461577210 /nfs/dbraw/zinc/57/72/10/461577210.db2.gz RAINEFXFTRPROR-LJQANCHMSA-N 2 1 338.499 3.392 20 0 EGADMP Cc1nnsc1C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000638796564 461582817 /nfs/dbraw/zinc/58/28/17/461582817.db2.gz KXDKKDCOYDKJRR-YOEHRIQHSA-N 2 1 330.501 3.237 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC000653256643 461593373 /nfs/dbraw/zinc/59/33/73/461593373.db2.gz RQTTUURYGFDERO-UHFFFAOYSA-N 2 1 331.504 3.120 20 0 EGADMP Brc1ccc2[nH+]ccc(N3CC[C@@H]4CC[NH2+][C@@H]4C3)c2c1 ZINC000643031933 461594689 /nfs/dbraw/zinc/59/46/89/461594689.db2.gz ZNAHESBVCUKEPW-XHDPSFHLSA-N 2 1 332.245 3.186 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)CNC(C)(c1ccccc1)c1ccccc1 ZINC000660194286 461629176 /nfs/dbraw/zinc/62/91/76/461629176.db2.gz HUXILYJRFSPIHG-FQEVSTJZSA-N 2 1 326.484 3.241 20 0 EGADMP c1coc([C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000643250473 461649311 /nfs/dbraw/zinc/64/93/11/461649311.db2.gz RUPXJAVTSGZHGD-LJQANCHMSA-N 2 1 326.440 3.101 20 0 EGADMP c1coc([C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000643250473 461649317 /nfs/dbraw/zinc/64/93/17/461649317.db2.gz RUPXJAVTSGZHGD-LJQANCHMSA-N 2 1 326.440 3.101 20 0 EGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663470534 461659204 /nfs/dbraw/zinc/65/92/04/461659204.db2.gz VAWCITSZZQBOGT-IEBWSBKVSA-N 2 1 343.515 3.424 20 0 EGADMP COc1cc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccn1 ZINC000638969821 461662284 /nfs/dbraw/zinc/66/22/84/461662284.db2.gz IUTMFDIXPQEFOO-LZLYRXPVSA-N 2 1 331.504 3.264 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000660256357 461670081 /nfs/dbraw/zinc/67/00/81/461670081.db2.gz KSBNRWKBXBYWEA-QLFBSQMISA-N 2 1 346.437 3.488 20 0 EGADMP COc1cc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)sn1 ZINC000660270330 461678111 /nfs/dbraw/zinc/67/81/11/461678111.db2.gz TVFWTHGMISNTMS-HUUCEWRRSA-N 2 1 345.512 3.398 20 0 EGADMP CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639046002 461687574 /nfs/dbraw/zinc/68/75/74/461687574.db2.gz RHRPQAFSYGVLBF-MJUUVYJYSA-N 2 1 344.499 3.138 20 0 EGADMP CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639046002 461687579 /nfs/dbraw/zinc/68/75/79/461687579.db2.gz RHRPQAFSYGVLBF-MJUUVYJYSA-N 2 1 344.499 3.138 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000653525622 461700702 /nfs/dbraw/zinc/70/07/02/461700702.db2.gz AERKTKXVOQRUBM-UYAOXDASSA-N 2 1 327.472 3.452 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000653525622 461700708 /nfs/dbraw/zinc/70/07/08/461700708.db2.gz AERKTKXVOQRUBM-UYAOXDASSA-N 2 1 327.472 3.452 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(N2CCCC2)n1 ZINC000643471241 461738600 /nfs/dbraw/zinc/73/86/00/461738600.db2.gz IGHLFPYQFVWHMY-GUDVDZBRSA-N 2 1 328.504 3.001 20 0 EGADMP CO[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000669621127 461744891 /nfs/dbraw/zinc/74/48/91/461744891.db2.gz ITZDYBUYPGRRBJ-PXNSSMCTSA-N 2 1 332.488 3.161 20 0 EGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000643499156 461746938 /nfs/dbraw/zinc/74/69/38/461746938.db2.gz YQHWUMQKWXCEJJ-RDJZCZTQSA-N 2 1 338.467 3.424 20 0 EGADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000643528518 461755503 /nfs/dbraw/zinc/75/55/03/461755503.db2.gz KMQYUKFBZGWCBM-NEPJUHHUSA-N 2 1 337.261 3.306 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2COc3cc(F)c(Br)cc32)CC[N@H+]1C ZINC000639140433 461756315 /nfs/dbraw/zinc/75/63/15/461756315.db2.gz XNIMISHIYRJKQP-RULNRJAQSA-N 2 1 343.240 3.094 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CC[NH2+]C4(CCC4)C2)C3)cc1 ZINC000643547832 461760914 /nfs/dbraw/zinc/76/09/14/461760914.db2.gz JOPJVHOEGNHNDG-MXEMCNAFSA-N 2 1 339.527 3.446 20 0 EGADMP Clc1ccc(N2CC[C@H](C[NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000656493862 461766287 /nfs/dbraw/zinc/76/62/87/461766287.db2.gz JMPCEHYQIWDSOC-OAHLLOKOSA-N 2 1 333.907 3.383 20 0 EGADMP COCC[N@@H+](C)CCCC1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663758494 461790878 /nfs/dbraw/zinc/79/08/78/461790878.db2.gz CXEDNKDFZMJCEA-UHFFFAOYSA-N 2 1 330.476 3.138 20 0 EGADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000639302427 461853408 /nfs/dbraw/zinc/85/34/08/461853408.db2.gz FIPCMJQSUXUQLG-UHFFFAOYSA-N 2 1 331.287 3.318 20 0 EGADMP CC(C)[N@@H+](CCCC1CC[NH2+]CC1)CC(=O)Nc1ccc(F)cc1 ZINC000647872163 461866016 /nfs/dbraw/zinc/86/60/16/461866016.db2.gz AOWWGJAKPRWKCW-UHFFFAOYSA-N 2 1 335.467 3.254 20 0 EGADMP CC[C@H]1C[N@@H+](CCCc2nc(-c3ccc(C)c(F)c3)no2)CC[C@@H]1[NH3+] ZINC000647937859 461894328 /nfs/dbraw/zinc/89/43/28/461894328.db2.gz DDTOQSNYTFDDHG-YOEHRIQHSA-N 2 1 346.450 3.176 20 0 EGADMP COc1ccc2oc(C[N@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)cc2c1 ZINC000650707263 461899441 /nfs/dbraw/zinc/89/94/41/461899441.db2.gz BXMRHCPCIFDJKZ-UVFQYZLESA-N 2 1 344.455 3.160 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CC1([NH3+])CCCC1 ZINC000656789556 461899828 /nfs/dbraw/zinc/89/98/28/461899828.db2.gz QBRRFWKNIRDNJD-UHFFFAOYSA-N 2 1 334.414 3.128 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3F)C2)C1 ZINC000650707664 461902178 /nfs/dbraw/zinc/90/21/78/461902178.db2.gz KLHXRKLCCHQPKU-SRCQZFHVSA-N 2 1 326.843 3.197 20 0 EGADMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707334 461902357 /nfs/dbraw/zinc/90/23/57/461902357.db2.gz CXKTZLUFFKGJCQ-FTRWYGJKSA-N 2 1 328.456 3.460 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c(SC)cc1OC ZINC000650711032 461904952 /nfs/dbraw/zinc/90/49/52/461904952.db2.gz GQYBNENENNOTAR-HIFRSBDPSA-N 2 1 338.517 3.375 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c(SC)cc1OC ZINC000650711034 461905011 /nfs/dbraw/zinc/90/50/11/461905011.db2.gz GQYBNENENNOTAR-ZFWWWQNUSA-N 2 1 338.517 3.375 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000650711740 461905427 /nfs/dbraw/zinc/90/54/27/461905427.db2.gz BWOPQQBNARMBRD-KUHUBIRLSA-N 2 1 330.451 3.269 20 0 EGADMP C[C@@H]1C[C@H](NCc2ccc(C[NH3+])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000650718140 461909176 /nfs/dbraw/zinc/90/91/76/461909176.db2.gz ZMHVQFDVJNGWQS-OXQOHEQNSA-N 3 1 341.474 3.427 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)CCN1Cc1ccccc1 ZINC000650718140 461909181 /nfs/dbraw/zinc/90/91/81/461909181.db2.gz ZMHVQFDVJNGWQS-OXQOHEQNSA-N 3 1 341.474 3.427 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C/C=C\c2ccc(F)cc2F)C1 ZINC000650723741 461916193 /nfs/dbraw/zinc/91/61/93/461916193.db2.gz SNSMWAKYZCOYSG-QOPWDLMFSA-N 2 1 336.426 3.339 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000647974927 461916923 /nfs/dbraw/zinc/91/69/23/461916923.db2.gz CCDLQQPKBXGLPU-OALUTQOASA-N 2 1 343.515 3.262 20 0 EGADMP Cc1cccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647978278 461921258 /nfs/dbraw/zinc/92/12/58/461921258.db2.gz PGVWYYALQCHHPO-ROUUACIJSA-N 2 1 340.471 3.257 20 0 EGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660683712 461923809 /nfs/dbraw/zinc/92/38/09/461923809.db2.gz JDQWSLPGBGUWOA-INIZCTEOSA-N 2 1 337.458 3.351 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660683712 461923815 /nfs/dbraw/zinc/92/38/15/461923815.db2.gz JDQWSLPGBGUWOA-INIZCTEOSA-N 2 1 337.458 3.351 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660683712 461923817 /nfs/dbraw/zinc/92/38/17/461923817.db2.gz JDQWSLPGBGUWOA-INIZCTEOSA-N 2 1 337.458 3.351 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660683712 461923822 /nfs/dbraw/zinc/92/38/22/461923822.db2.gz JDQWSLPGBGUWOA-INIZCTEOSA-N 2 1 337.458 3.351 20 0 EGADMP C[C@H]1C[C@H](NCc2ccc(C[NH3+])cc2F)C[N@@H+]1Cc1ccccc1 ZINC000650753753 461934776 /nfs/dbraw/zinc/93/47/76/461934776.db2.gz UZXILFNVCQJJLW-KXBFYZLASA-N 2 1 327.447 3.037 20 0 EGADMP C[C@H]1C[C@H](NCc2ccc(C[NH3+])cc2F)C[N@H+]1Cc1ccccc1 ZINC000650753753 461934784 /nfs/dbraw/zinc/93/47/84/461934784.db2.gz UZXILFNVCQJJLW-KXBFYZLASA-N 2 1 327.447 3.037 20 0 EGADMP c1ccc(C[N@H+]2CCO[C@@H]3CN(c4cc[nH+]c5ccccc54)C[C@@H]32)cc1 ZINC000664189700 461974554 /nfs/dbraw/zinc/97/45/54/461974554.db2.gz QIJGOOKNLDWGBH-FCHUYYIVSA-N 2 1 345.446 3.324 20 0 EGADMP Cc1ccc(C[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)s1 ZINC000644571548 461990962 /nfs/dbraw/zinc/99/09/62/461990962.db2.gz DLEKCIMCGAKUFC-YJBOKZPZSA-N 2 1 332.513 3.070 20 0 EGADMP Cc1ccc(C[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000644571548 461990969 /nfs/dbraw/zinc/99/09/69/461990969.db2.gz DLEKCIMCGAKUFC-YJBOKZPZSA-N 2 1 332.513 3.070 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccnn2CC2CC2)c1 ZINC000657332847 462052591 /nfs/dbraw/zinc/05/25/91/462052591.db2.gz RLTWJMQRFAFNIE-UHFFFAOYSA-N 2 1 326.488 3.423 20 0 EGADMP Cc1ccc(-c2noc(C[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000639681851 462055968 /nfs/dbraw/zinc/05/59/68/462055968.db2.gz FWKWIOISLFSEGJ-UHFFFAOYSA-N 2 1 349.438 3.152 20 0 EGADMP Cc1ccc(-c2noc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000639681851 462055972 /nfs/dbraw/zinc/05/59/72/462055972.db2.gz FWKWIOISLFSEGJ-UHFFFAOYSA-N 2 1 349.438 3.152 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657348114 462062011 /nfs/dbraw/zinc/06/20/11/462062011.db2.gz KXFXMQCJPISSBE-AZUAARDMSA-N 2 1 332.488 3.064 20 0 EGADMP C[NH+]1CCC(CCO)(NCc2ccc(-c3cccs3)cc2)CC1 ZINC000657500756 462158155 /nfs/dbraw/zinc/15/81/55/462158155.db2.gz RTIPEAYUHAIZAP-UHFFFAOYSA-N 2 1 330.497 3.352 20 0 EGADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657500756 462158160 /nfs/dbraw/zinc/15/81/60/462158160.db2.gz RTIPEAYUHAIZAP-UHFFFAOYSA-N 2 1 330.497 3.352 20 0 EGADMP c1cc(O[C@H]2CCOC2)ccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000667658723 462195348 /nfs/dbraw/zinc/19/53/48/462195348.db2.gz OUINPHRUCMUWLG-FPOVZHCZSA-N 2 1 344.499 3.305 20 0 EGADMP c1cc(O[C@H]2CCOC2)ccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000667658723 462195358 /nfs/dbraw/zinc/19/53/58/462195358.db2.gz OUINPHRUCMUWLG-FPOVZHCZSA-N 2 1 344.499 3.305 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc2ccncc2s1 ZINC000657992218 462339976 /nfs/dbraw/zinc/33/99/76/462339976.db2.gz DIQNGIDBNZMDCY-GJZGRUSLSA-N 2 1 333.501 3.448 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc2ccncc2s1 ZINC000657992218 462339982 /nfs/dbraw/zinc/33/99/82/462339982.db2.gz DIQNGIDBNZMDCY-GJZGRUSLSA-N 2 1 333.501 3.448 20 0 EGADMP c1cnc(N2CCCC2)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000665236787 462363243 /nfs/dbraw/zinc/36/32/43/462363243.db2.gz UGLJNOOAOYZTCO-GBESFXJTSA-N 2 1 328.504 3.082 20 0 EGADMP Fc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC000665266436 462377494 /nfs/dbraw/zinc/37/74/94/462377494.db2.gz AZDZQLWIONAFDU-QRVBRYPASA-N 2 1 326.415 3.212 20 0 EGADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000665273043 462378640 /nfs/dbraw/zinc/37/86/40/462378640.db2.gz PHQDXUKFENUGNR-TUFLPTIASA-N 2 1 338.499 3.214 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000640532129 462430216 /nfs/dbraw/zinc/43/02/16/462430216.db2.gz APSXZLKIHXEFGP-FQEVSTJZSA-N 2 1 343.515 3.204 20 0 EGADMP C[C@H](NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1)c1cccs1 ZINC000640531183 462430834 /nfs/dbraw/zinc/43/08/34/462430834.db2.gz HETDOKTVCDNLEL-INIZCTEOSA-N 2 1 337.533 3.123 20 0 EGADMP CC(C)C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000652150459 462451415 /nfs/dbraw/zinc/45/14/15/462451415.db2.gz XLAVXWIVJKHENW-IEBWSBKVSA-N 2 1 349.494 3.090 20 0 EGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652150995 462452226 /nfs/dbraw/zinc/45/22/26/462452226.db2.gz GFBRHCHQXMHZOG-GDBMZVCRSA-N 2 1 336.476 3.095 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCC(C)(C)[NH3+])cc2)C1 ZINC000649288517 462467882 /nfs/dbraw/zinc/46/78/82/462467882.db2.gz WKKNCKIUKKTBBH-MRXNPFEDSA-N 2 1 331.504 3.052 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)CCC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000649330131 462479871 /nfs/dbraw/zinc/47/98/71/462479871.db2.gz ZGQLLRDRTMYHRX-AEFFLSMTSA-N 2 1 331.504 3.015 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000649340670 462482041 /nfs/dbraw/zinc/48/20/41/462482041.db2.gz UISCTVHCXNHVCY-SFTDATJTSA-N 2 1 329.532 3.456 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000649340670 462482045 /nfs/dbraw/zinc/48/20/45/462482045.db2.gz UISCTVHCXNHVCY-SFTDATJTSA-N 2 1 329.532 3.456 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000649340670 462482050 /nfs/dbraw/zinc/48/20/50/462482050.db2.gz UISCTVHCXNHVCY-SFTDATJTSA-N 2 1 329.532 3.456 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)CC1 ZINC000658346754 462484837 /nfs/dbraw/zinc/48/48/37/462484837.db2.gz DUEPCZNZNFNXEO-OAQYLSRUSA-N 2 1 346.515 3.346 20 0 EGADMP CC[N@@H+](CCC[NH2+][C@H](C)C1(OC)CCOCC1)C1CCCCC1 ZINC000652237764 462485697 /nfs/dbraw/zinc/48/56/97/462485697.db2.gz CUCOIFYLOAFSEW-QGZVFWFLSA-N 2 1 326.525 3.205 20 0 EGADMP C(=C/C[N@H+]1CC[C@@H](c2cccnc2)C1)\C[NH+]1CC[C@H](c2cccnc2)C1 ZINC000645983218 462487521 /nfs/dbraw/zinc/48/75/21/462487521.db2.gz BBBFPWDJYZDHMS-XFDDJKQHSA-N 2 1 348.494 3.312 20 0 EGADMP C(=C/C[N@@H+]1CC[C@H](c2cccnc2)C1)\C[NH+]1CC[C@@H](c2cccnc2)C1 ZINC000645983218 462487529 /nfs/dbraw/zinc/48/75/29/462487529.db2.gz BBBFPWDJYZDHMS-XFDDJKQHSA-N 2 1 348.494 3.312 20 0 EGADMP C(=C/C[N@H+]1CC[C@H](c2cccnc2)C1)\C[NH+]1CC[C@@H](c2cccnc2)C1 ZINC000645983218 462487534 /nfs/dbraw/zinc/48/75/34/462487534.db2.gz BBBFPWDJYZDHMS-XFDDJKQHSA-N 2 1 348.494 3.312 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCO[C@@H](C4CC4)C3)CC2)cc1 ZINC000155113700 534486779 /nfs/dbraw/zinc/48/67/79/534486779.db2.gz ROUBIGXJMAOTGX-NHCUHLMSSA-N 2 1 328.500 3.241 20 0 EGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCCO2 ZINC000132828264 534502835 /nfs/dbraw/zinc/50/28/35/534502835.db2.gz YTWOJSKXTQVDLT-KXBFYZLASA-N 2 1 348.462 3.130 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C12CCC2 ZINC000181540969 527836758 /nfs/dbraw/zinc/83/67/58/527836758.db2.gz SXAYBNGYMHFMCZ-IAGOWNOFSA-N 2 1 326.444 3.013 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OCCCOC)[C@H](C)C1 ZINC000167235263 527882905 /nfs/dbraw/zinc/88/29/05/527882905.db2.gz FBHUFZCVAKWSES-MJGOQNOKSA-N 2 1 334.504 3.230 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OCCCOC)[C@H](C)C1 ZINC000167235263 527882910 /nfs/dbraw/zinc/88/29/10/527882910.db2.gz FBHUFZCVAKWSES-MJGOQNOKSA-N 2 1 334.504 3.230 20 0 EGADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000191567719 528104580 /nfs/dbraw/zinc/10/45/80/528104580.db2.gz HJCUHDMBVVTMNS-UHFFFAOYSA-N 2 1 335.467 3.208 20 0 EGADMP CC[NH2+]CC1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000131582292 528289937 /nfs/dbraw/zinc/28/99/37/528289937.db2.gz CVJZBPMWXCLIGW-UHFFFAOYSA-N 2 1 329.257 3.410 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000167143521 528845466 /nfs/dbraw/zinc/84/54/66/528845466.db2.gz SQNICUDMNUPLPK-MJGOQNOKSA-N 2 1 334.504 3.230 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000167143521 528845469 /nfs/dbraw/zinc/84/54/69/528845469.db2.gz SQNICUDMNUPLPK-MJGOQNOKSA-N 2 1 334.504 3.230 20 0 EGADMP CC(C)[NH+](CCC[NH2+]Cc1cncc(Br)c1)C(C)C ZINC000183724612 528885031 /nfs/dbraw/zinc/88/50/31/528885031.db2.gz DZANIZRHYASDQH-UHFFFAOYSA-N 2 1 328.298 3.443 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000354678660 535579442 /nfs/dbraw/zinc/57/94/42/535579442.db2.gz UUYYXAXKVKSTJC-IPMKNSEASA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)cc1 ZINC000338179711 535600860 /nfs/dbraw/zinc/60/08/60/535600860.db2.gz DHSQRUVBOWQYTO-DLBZAZTESA-N 2 1 331.504 3.083 20 0 EGADMP O=C(Nc1cccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1)C1CCC1 ZINC000166065363 546987353 /nfs/dbraw/zinc/98/73/53/546987353.db2.gz QOKIIWRHCTXLTB-IEBWSBKVSA-N 2 1 327.472 3.142 20 0 EGADMP O=C(Nc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1)C1CCC1 ZINC000166065363 546987355 /nfs/dbraw/zinc/98/73/55/546987355.db2.gz QOKIIWRHCTXLTB-IEBWSBKVSA-N 2 1 327.472 3.142 20 0 EGADMP O=C(Nc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1)C1CCC1 ZINC000166065363 546987361 /nfs/dbraw/zinc/98/73/61/546987361.db2.gz QOKIIWRHCTXLTB-IEBWSBKVSA-N 2 1 327.472 3.142 20 0 EGADMP FC(F)(F)Oc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166198053 546988710 /nfs/dbraw/zinc/98/87/10/546988710.db2.gz KHRHDFADQJRUPJ-LSDHHAIUSA-N 2 1 328.378 3.344 20 0 EGADMP Cc1ncc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)s1 ZINC000182242397 547078412 /nfs/dbraw/zinc/07/84/12/547078412.db2.gz DIXXTSDWHYONTI-KBXCAEBGSA-N 2 1 345.512 3.259 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)CC2 ZINC000279975924 547369147 /nfs/dbraw/zinc/36/91/47/547369147.db2.gz DIBGRHNHHSDPOP-SFHVURJKSA-N 2 1 332.488 3.401 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000310105351 547462184 /nfs/dbraw/zinc/46/21/84/547462184.db2.gz ZVTAWAYTXSJABZ-NJDAHSKKSA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](CN[C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000310105351 547462190 /nfs/dbraw/zinc/46/21/90/547462190.db2.gz ZVTAWAYTXSJABZ-NJDAHSKKSA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN[C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000310105351 547462195 /nfs/dbraw/zinc/46/21/95/547462195.db2.gz ZVTAWAYTXSJABZ-NJDAHSKKSA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000310105351 547462200 /nfs/dbraw/zinc/46/22/00/547462200.db2.gz ZVTAWAYTXSJABZ-NJDAHSKKSA-N 3 1 327.516 3.115 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000310105351 547462203 /nfs/dbraw/zinc/46/22/03/547462203.db2.gz ZVTAWAYTXSJABZ-NJDAHSKKSA-N 3 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000310105351 547462208 /nfs/dbraw/zinc/46/22/08/547462208.db2.gz ZVTAWAYTXSJABZ-NJDAHSKKSA-N 3 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000310105351 547462210 /nfs/dbraw/zinc/46/22/10/547462210.db2.gz ZVTAWAYTXSJABZ-NJDAHSKKSA-N 3 1 327.516 3.115 20 0 EGADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000354293455 547704464 /nfs/dbraw/zinc/70/44/64/547704464.db2.gz KICZEYJSJWRIRO-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000354293455 547704470 /nfs/dbraw/zinc/70/44/70/547704470.db2.gz KICZEYJSJWRIRO-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)Cc3cccc(Cl)c3)C2)CC1 ZINC000370735920 547791214 /nfs/dbraw/zinc/79/12/14/547791214.db2.gz DDQRUJOJPHCENI-SFHVURJKSA-N 2 1 336.907 3.051 20 0 EGADMP COCCCn1nccc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000670262269 548192459 /nfs/dbraw/zinc/19/24/59/548192459.db2.gz SFHLTENOTTWSMY-UHFFFAOYSA-N 2 1 348.535 3.008 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3[nH]2)[C@@H](C)C1 ZINC000675789730 548981799 /nfs/dbraw/zinc/98/17/99/548981799.db2.gz JWYWLJHVLGIIRQ-QFBILLFUSA-N 2 1 329.488 3.395 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCc3c2cc(F)cc3F)C[C@H](C)O1 ZINC000677129136 549214750 /nfs/dbraw/zinc/21/47/50/549214750.db2.gz GZLBUEYFACEPOG-BIENJYKASA-N 2 1 338.442 3.431 20 0 EGADMP CC[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000678214188 549426206 /nfs/dbraw/zinc/42/62/06/549426206.db2.gz MYBLVEVHHLEXJF-PKOBYXMFSA-N 2 1 332.488 3.161 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000678214188 549426211 /nfs/dbraw/zinc/42/62/11/549426211.db2.gz MYBLVEVHHLEXJF-PKOBYXMFSA-N 2 1 332.488 3.161 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)c1C ZINC000678780415 549559622 /nfs/dbraw/zinc/55/96/22/549559622.db2.gz LOHVKDOVASXJKQ-ICSRJNTNSA-N 2 1 326.484 3.447 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)c1C ZINC000678780415 549559627 /nfs/dbraw/zinc/55/96/27/549559627.db2.gz LOHVKDOVASXJKQ-ICSRJNTNSA-N 2 1 326.484 3.447 20 0 EGADMP C[N@H+]1CC[C@H]2CCN(Cc3cnn(Cc4ccccc4Cl)c3)[C@H]2C1 ZINC000679364579 549697165 /nfs/dbraw/zinc/69/71/65/549697165.db2.gz HLXCXTKPBDPUBV-LPHOPBHVSA-N 2 1 344.890 3.111 20 0 EGADMP CCc1cccnc1[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000679577473 549738208 /nfs/dbraw/zinc/73/82/08/549738208.db2.gz QXKVQCDPTDWYEY-CRAIPNDOSA-N 2 1 339.487 3.370 20 0 EGADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000679839421 549779786 /nfs/dbraw/zinc/77/97/86/549779786.db2.gz XKLFFPGYDIJCEO-BVOGOJNSSA-N 2 1 338.499 3.162 20 0 EGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(O)cc3)CC2)CC1 ZINC000682405439 550095089 /nfs/dbraw/zinc/09/50/89/550095089.db2.gz WKFSIPHWOIOJQA-UHFFFAOYSA-N 2 1 345.531 3.020 20 0 EGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(O)cc1 ZINC000682405439 550095091 /nfs/dbraw/zinc/09/50/91/550095091.db2.gz WKFSIPHWOIOJQA-UHFFFAOYSA-N 3 1 345.531 3.020 20 0 EGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(O)cc1 ZINC000682405439 550095094 /nfs/dbraw/zinc/09/50/94/550095094.db2.gz WKFSIPHWOIOJQA-UHFFFAOYSA-N 3 1 345.531 3.020 20 0 EGADMP C[C@@H]1CSCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000683109545 550191713 /nfs/dbraw/zinc/19/17/13/550191713.db2.gz SPTHZEZYPRFAFF-KRWDZBQOSA-N 2 1 334.529 3.346 20 0 EGADMP C[N@@H+]1C[C@H]2CN(Cc3ccc(OCc4cccc(F)c4)cc3)C[C@H]2C1 ZINC000683844605 550267790 /nfs/dbraw/zinc/26/77/90/550267790.db2.gz SFHKPCFHBCCUME-KDURUIRLSA-N 2 1 340.442 3.398 20 0 EGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OCc4cccc(F)c4)cc3)C[C@@H]2C1 ZINC000683844605 550267797 /nfs/dbraw/zinc/26/77/97/550267797.db2.gz SFHKPCFHBCCUME-KDURUIRLSA-N 2 1 340.442 3.398 20 0 EGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OCc4cccc(F)c4)cc3)C[C@@H]2C1 ZINC000683844605 550267800 /nfs/dbraw/zinc/26/78/00/550267800.db2.gz SFHKPCFHBCCUME-KDURUIRLSA-N 2 1 340.442 3.398 20 0 EGADMP C[N@@H+](Cc1coc2ccccc12)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457593 550419259 /nfs/dbraw/zinc/41/92/59/550419259.db2.gz GBCJAOGPMNDMHU-SFHVURJKSA-N 2 1 327.472 3.033 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000685466580 550420294 /nfs/dbraw/zinc/42/02/94/550420294.db2.gz WEWAACWZPSSNTD-UHFFFAOYSA-N 2 1 325.456 3.187 20 0 EGADMP CC(C)[NH2+][C@@H]1CCC[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000731033190 575047627 /nfs/dbraw/zinc/04/76/27/575047627.db2.gz WVWQEMPNSNFSNG-QGZVFWFLSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000731033190 575047630 /nfs/dbraw/zinc/04/76/30/575047630.db2.gz WVWQEMPNSNFSNG-QGZVFWFLSA-N 2 1 339.524 3.096 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000732273817 575252305 /nfs/dbraw/zinc/25/23/05/575252305.db2.gz DRPLUONLBMZRQW-CEXWTWQISA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000732273817 575252307 /nfs/dbraw/zinc/25/23/07/575252307.db2.gz DRPLUONLBMZRQW-CEXWTWQISA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000732273817 575252310 /nfs/dbraw/zinc/25/23/10/575252310.db2.gz DRPLUONLBMZRQW-CEXWTWQISA-N 2 1 337.552 3.362 20 0 EGADMP CCc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)s1 ZINC000066593760 1292123840 /nfs/dbraw/zinc/12/38/40/1292123840.db2.gz FFJSHLDWMBIVQH-UHFFFAOYSA-N 2 1 343.540 3.348 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000067222815 1292154285 /nfs/dbraw/zinc/15/42/85/1292154285.db2.gz GNCSGVGJLAKHJJ-GOSISDBHSA-N 2 1 326.488 3.311 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000067222815 1292154289 /nfs/dbraw/zinc/15/42/89/1292154289.db2.gz GNCSGVGJLAKHJJ-GOSISDBHSA-N 2 1 326.488 3.311 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000069160344 1292232601 /nfs/dbraw/zinc/23/26/01/1292232601.db2.gz LAPMRBNFWHZAJA-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP Cc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c1C ZINC000069785338 1292252477 /nfs/dbraw/zinc/25/24/77/1292252477.db2.gz JWWMSCMKEJBGFY-UHFFFAOYSA-N 2 1 337.511 3.341 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2sc(CCOC)nc2C)C1 ZINC000092743007 1292888731 /nfs/dbraw/zinc/88/87/31/1292888731.db2.gz DYJFYRUFSVEFLU-ZFWWWQNUSA-N 2 1 325.522 3.023 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000105451468 1293035815 /nfs/dbraw/zinc/03/58/15/1293035815.db2.gz RRQVUMXRYWYGBO-UHFFFAOYSA-N 2 1 344.330 3.357 20 0 EGADMP CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1OC(F)F ZINC000108428666 1293081134 /nfs/dbraw/zinc/08/11/34/1293081134.db2.gz NFNFBMXPTLZBEG-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1OC(F)F ZINC000108428666 1293081142 /nfs/dbraw/zinc/08/11/42/1293081142.db2.gz NFNFBMXPTLZBEG-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP CCn1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)cn1 ZINC000112096551 1293117250 /nfs/dbraw/zinc/11/72/50/1293117250.db2.gz WFFLVJXXNKQQQM-KRWDZBQOSA-N 2 1 326.488 3.425 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000834682088 1293133160 /nfs/dbraw/zinc/13/31/60/1293133160.db2.gz ODOOFUMRXIGVQP-UHFFFAOYSA-N 2 1 340.349 3.088 20 0 EGADMP COc1ccc(CNC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1O ZINC000131129376 1293680174 /nfs/dbraw/zinc/68/01/74/1293680174.db2.gz OVXVAGAVWRTYRH-HNNXBMFYSA-N 2 1 341.455 3.111 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc2c(c1)CCCO2 ZINC000153218833 1294004302 /nfs/dbraw/zinc/00/43/02/1294004302.db2.gz NBABJPFJWNJRDU-IBGZPJMESA-N 2 1 332.488 3.163 20 0 EGADMP CCOc1cccc([C@@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)c1 ZINC000154488348 1294057819 /nfs/dbraw/zinc/05/78/19/1294057819.db2.gz DASBCRHNJOZUBF-GOSISDBHSA-N 2 1 333.520 3.154 20 0 EGADMP Cc1nn(C)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000160128243 1294258540 /nfs/dbraw/zinc/25/85/40/1294258540.db2.gz HFSYYGWKSBLFEE-MRXNPFEDSA-N 2 1 326.488 3.250 20 0 EGADMP Fc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Cl ZINC000162784964 1294322404 /nfs/dbraw/zinc/32/24/04/1294322404.db2.gz VVZFTASQACKRBM-AWEZNQCLSA-N 2 1 326.843 3.070 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000870124897 1295681157 /nfs/dbraw/zinc/68/11/57/1295681157.db2.gz ABJYDYMZZWZIFL-IBGZPJMESA-N 2 1 343.515 3.158 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870867535 1296121198 /nfs/dbraw/zinc/12/11/98/1296121198.db2.gz QLMPBCOGPMCOBW-ABSDTBQOSA-N 2 1 343.515 3.052 20 0 EGADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc(Cl)c1OC ZINC000236853373 1296208151 /nfs/dbraw/zinc/20/81/51/1296208151.db2.gz VTNLROFYNJAYGV-ZDUSSCGKSA-N 2 1 338.879 3.321 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000248617984 1296422577 /nfs/dbraw/zinc/42/25/77/1296422577.db2.gz BCBISTKOWPENSQ-RBUKOAKNSA-N 2 1 349.563 3.399 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261674195 1296596877 /nfs/dbraw/zinc/59/68/77/1296596877.db2.gz JJAWKTJSRSMCOB-GCKMJXCFSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261674195 1296596883 /nfs/dbraw/zinc/59/68/83/1296596883.db2.gz JJAWKTJSRSMCOB-GCKMJXCFSA-N 2 1 339.483 3.076 20 0 EGADMP O=c1[nH]c2cc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)ccc2o1 ZINC000872123494 1296751475 /nfs/dbraw/zinc/75/14/75/1296751475.db2.gz RHZKWYIXWORAFA-UHFFFAOYSA-N 2 1 337.423 3.288 20 0 EGADMP CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)nn1 ZINC000872158042 1296777073 /nfs/dbraw/zinc/77/70/73/1296777073.db2.gz SBOSKNYOEZGEQF-YJBOKZPZSA-N 2 1 333.524 3.153 20 0 EGADMP CC(C)(C)n1cc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)nn1 ZINC000872158042 1296777084 /nfs/dbraw/zinc/77/70/84/1296777084.db2.gz SBOSKNYOEZGEQF-YJBOKZPZSA-N 2 1 333.524 3.153 20 0 EGADMP C[C@@]1(C[NH2+]C[C@@H](O)c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310889661 1297103505 /nfs/dbraw/zinc/10/35/05/1297103505.db2.gz KGKMGQHAXCCULC-RTWAWAEBSA-N 2 1 342.458 3.361 20 0 EGADMP c1ccc(C(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc2)cc1 ZINC000327841597 1297251625 /nfs/dbraw/zinc/25/16/25/1297251625.db2.gz RJAFJIUSBGXVRW-SFTDATJTSA-N 2 1 336.479 3.271 20 0 EGADMP c1ccc(C(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c2ccccc2)cc1 ZINC000327841597 1297251630 /nfs/dbraw/zinc/25/16/30/1297251630.db2.gz RJAFJIUSBGXVRW-SFTDATJTSA-N 2 1 336.479 3.271 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H](c2ccc(F)cc2)O1 ZINC000873205604 1297350197 /nfs/dbraw/zinc/35/01/97/1297350197.db2.gz PNEHJHWRDSODFX-FZKQIMNGSA-N 2 1 346.471 3.495 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H](c2ccc(F)cc2)O1 ZINC000873205604 1297350208 /nfs/dbraw/zinc/35/02/08/1297350208.db2.gz PNEHJHWRDSODFX-FZKQIMNGSA-N 2 1 346.471 3.495 20 0 EGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2cnc3ccccn23)C1)C1CCCC1 ZINC000873231783 1297374225 /nfs/dbraw/zinc/37/42/25/1297374225.db2.gz DFIGUUBBNRUOJM-LPHOPBHVSA-N 2 1 326.488 3.454 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379655446 1297536005 /nfs/dbraw/zinc/53/60/05/1297536005.db2.gz LUQMEWVRGHPTAS-YHYVQYDKSA-N 2 1 349.478 3.234 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379655446 1297536013 /nfs/dbraw/zinc/53/60/13/1297536013.db2.gz LUQMEWVRGHPTAS-YHYVQYDKSA-N 2 1 349.478 3.234 20 0 EGADMP C[C@@H](CC[NH2+]C[C@H](O)c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000379621071 1297536602 /nfs/dbraw/zinc/53/66/02/1297536602.db2.gz DWUJDHSECWWRAP-UWJYYQICSA-N 2 1 337.467 3.092 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000381043254 1297550113 /nfs/dbraw/zinc/55/01/13/1297550113.db2.gz FCGMBTZNBZNWMX-PMPSAXMXSA-N 2 1 327.513 3.141 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000381043254 1297550128 /nfs/dbraw/zinc/55/01/28/1297550128.db2.gz FCGMBTZNBZNWMX-PMPSAXMXSA-N 2 1 327.513 3.141 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@H]1OC ZINC000390527037 1297628851 /nfs/dbraw/zinc/62/88/51/1297628851.db2.gz CRMKKXZSBSDURQ-ZGXWSNOMSA-N 2 1 346.515 3.069 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@H]1OC ZINC000390527037 1297628858 /nfs/dbraw/zinc/62/88/58/1297628858.db2.gz CRMKKXZSBSDURQ-ZGXWSNOMSA-N 2 1 346.515 3.069 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000398154087 1297716429 /nfs/dbraw/zinc/71/64/29/1297716429.db2.gz ZJSPUPMRGXZZLF-DBXWQHBBSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000398154087 1297716435 /nfs/dbraw/zinc/71/64/35/1297716435.db2.gz ZJSPUPMRGXZZLF-DBXWQHBBSA-N 3 1 329.532 3.217 20 0 EGADMP CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C12CCC2 ZINC000453107593 1297890127 /nfs/dbraw/zinc/89/01/27/1297890127.db2.gz LLKGCDWIBOZSBC-VAMGGRTRSA-N 2 1 328.500 3.098 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3C)cc1)C(C)C ZINC000874840607 1298121095 /nfs/dbraw/zinc/12/10/95/1298121095.db2.gz PQCGRKAOJKYRRC-PMACEKPBSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1)C(C)C ZINC000874840607 1298121097 /nfs/dbraw/zinc/12/10/97/1298121097.db2.gz PQCGRKAOJKYRRC-PMACEKPBSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1)C(C)C ZINC000874840607 1298121102 /nfs/dbraw/zinc/12/11/02/1298121102.db2.gz PQCGRKAOJKYRRC-PMACEKPBSA-N 2 1 343.515 3.226 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000708522878 1298241299 /nfs/dbraw/zinc/24/12/99/1298241299.db2.gz YFRBMEASWZHOLG-IEBWSBKVSA-N 2 1 344.499 3.030 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1[nH]nc2ccccc21 ZINC000708557546 1298243150 /nfs/dbraw/zinc/24/31/50/1298243150.db2.gz XPBDORMWLGOKDM-FUHWJXTLSA-N 2 1 334.467 3.421 20 0 EGADMP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCCNC(=O)C2)CCCCC1 ZINC000714234170 1298273933 /nfs/dbraw/zinc/27/39/33/1298273933.db2.gz IDXZQAJKQIDCGF-LJQANCHMSA-N 2 1 343.515 3.080 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCCNC(=O)C2)CCCCC1 ZINC000714234170 1298273939 /nfs/dbraw/zinc/27/39/39/1298273939.db2.gz IDXZQAJKQIDCGF-LJQANCHMSA-N 2 1 343.515 3.080 20 0 EGADMP CC(C)[NH+](CC[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)C(C)C ZINC000724033419 1298345672 /nfs/dbraw/zinc/34/56/72/1298345672.db2.gz WYFURSKWDSKQGM-DLBZAZTESA-N 2 1 341.540 3.388 20 0 EGADMP CC1(C)CC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC(C)(C)[NH2+]1 ZINC000748837443 1299088935 /nfs/dbraw/zinc/08/89/35/1299088935.db2.gz JTTVCHZPHBFIDR-HNNXBMFYSA-N 2 1 335.536 3.066 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000876975336 1299098158 /nfs/dbraw/zinc/09/81/58/1299098158.db2.gz DCCFWGINQMIBSV-HGHGUNKESA-N 2 1 336.483 3.365 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000876975336 1299098164 /nfs/dbraw/zinc/09/81/64/1299098164.db2.gz DCCFWGINQMIBSV-HGHGUNKESA-N 2 1 336.483 3.365 20 0 EGADMP Cn1cncc1C[NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000877540119 1299381653 /nfs/dbraw/zinc/38/16/53/1299381653.db2.gz SOGABMWNGZQYQL-OAQYLSRUSA-N 2 1 340.515 3.448 20 0 EGADMP Cn1cncc1C[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000877540119 1299381663 /nfs/dbraw/zinc/38/16/63/1299381663.db2.gz SOGABMWNGZQYQL-OAQYLSRUSA-N 2 1 340.515 3.448 20 0 EGADMP COC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(Br)c1 ZINC000879662739 1300659748 /nfs/dbraw/zinc/65/97/48/1300659748.db2.gz JZINJSIGXQIWGO-HZPDHXFCSA-N 2 1 341.293 3.211 20 0 EGADMP COC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(Br)c1 ZINC000879662739 1300659755 /nfs/dbraw/zinc/65/97/55/1300659755.db2.gz JZINJSIGXQIWGO-HZPDHXFCSA-N 2 1 341.293 3.211 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nccc3ccccc32)[C@@H](C)C1 ZINC000765404761 1302260863 /nfs/dbraw/zinc/26/08/63/1302260863.db2.gz MSXCCPYPUVTACW-PXNSSMCTSA-N 2 1 341.499 3.461 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nccc3ccccc32)[C@@H](C)C1 ZINC000765404761 1302260868 /nfs/dbraw/zinc/26/08/68/1302260868.db2.gz MSXCCPYPUVTACW-PXNSSMCTSA-N 2 1 341.499 3.461 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC3(CCOCC3)Oc3ccccc32)[C@H](C)C1 ZINC000883383704 1302424158 /nfs/dbraw/zinc/42/41/58/1302424158.db2.gz DSWVWIPOUIYYCI-NZSAHSFTSA-N 2 1 344.499 3.379 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC3(CCOCC3)Oc3ccccc32)[C@H](C)C1 ZINC000883383704 1302424160 /nfs/dbraw/zinc/42/41/60/1302424160.db2.gz DSWVWIPOUIYYCI-NZSAHSFTSA-N 2 1 344.499 3.379 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@H]3CC[C@H](c4ccccc4)O3)C2)C1 ZINC000883434244 1302443254 /nfs/dbraw/zinc/44/32/54/1302443254.db2.gz KVSSQTLXEJKLHO-ONUIULTDSA-N 2 1 344.499 3.125 20 0 EGADMP Cc1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(C)o1 ZINC000767339166 1302642594 /nfs/dbraw/zinc/64/25/94/1302642594.db2.gz MBCBKVWSGCIFEM-KRWDZBQOSA-N 2 1 333.501 3.036 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000767451596 1302682621 /nfs/dbraw/zinc/68/26/21/1302682621.db2.gz YIHKIYSZMLZHHA-INIZCTEOSA-N 2 1 341.377 3.266 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000767451596 1302682630 /nfs/dbraw/zinc/68/26/30/1302682630.db2.gz YIHKIYSZMLZHHA-INIZCTEOSA-N 2 1 341.377 3.266 20 0 EGADMP COc1ccccc1OCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768821670 1302987831 /nfs/dbraw/zinc/98/78/31/1302987831.db2.gz DMJXWRVXVPXUMY-UHFFFAOYSA-N 2 1 328.456 3.268 20 0 EGADMP C[C@H](C(=O)OCC[N@@H+](C)Cc1ccc(F)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000769110102 1303049059 /nfs/dbraw/zinc/04/90/59/1303049059.db2.gz VZSBCUIEVLVSRT-BZUAXINKSA-N 2 1 336.451 3.062 20 0 EGADMP C[N@H+](Cc1ccc(NC(=O)OC(C)(C)C)nc1)CC1CC[NH+](C)CC1 ZINC000769327475 1303093530 /nfs/dbraw/zinc/09/35/30/1303093530.db2.gz BWMMXRSMGPNZDF-UHFFFAOYSA-N 2 1 348.491 3.202 20 0 EGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000885978266 1303306659 /nfs/dbraw/zinc/30/66/59/1303306659.db2.gz URHLUYZETVZKBI-QZTJIDSGSA-N 2 1 338.536 3.205 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000885978266 1303306667 /nfs/dbraw/zinc/30/66/67/1303306667.db2.gz URHLUYZETVZKBI-QZTJIDSGSA-N 2 1 338.536 3.205 20 0 EGADMP C[C@H]1OCC[C@@H]1C[N@@H+](C)[C@@H]1CC[C@@H]([NH+](C)C[C@H]2CCO[C@H]2C)CC1 ZINC000886386907 1303454478 /nfs/dbraw/zinc/45/44/78/1303454478.db2.gz LIVBTLUGFWTKPL-DNDRQTMDSA-N 2 1 338.536 3.011 20 0 EGADMP C[C@H]1OCC[C@@H]1C[NH+](C)[C@@H]1CC[C@@H]([N@H+](C)C[C@H]2CCO[C@H]2C)CC1 ZINC000886386907 1303454480 /nfs/dbraw/zinc/45/44/80/1303454480.db2.gz LIVBTLUGFWTKPL-DNDRQTMDSA-N 2 1 338.536 3.011 20 0 EGADMP C[C@H]1OCC[C@@H]1C[NH+](C)[C@@H]1CC[C@@H]([N@@H+](C)C[C@H]2CCO[C@H]2C)CC1 ZINC000886386907 1303454484 /nfs/dbraw/zinc/45/44/84/1303454484.db2.gz LIVBTLUGFWTKPL-DNDRQTMDSA-N 2 1 338.536 3.011 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000886487766 1303475289 /nfs/dbraw/zinc/47/52/89/1303475289.db2.gz TXQCSURROOTYHN-FQEVSTJZSA-N 2 1 326.488 3.371 20 0 EGADMP Cc1[nH]c(C2CC[NH+](CC3CCC4(CC3)OCCO4)CC2)[nH+]c1C ZINC000886662477 1303544301 /nfs/dbraw/zinc/54/43/01/1303544301.db2.gz FARARGXETRCWFE-UHFFFAOYSA-N 2 1 333.476 3.139 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)[nH+]c1C ZINC000886670199 1303548892 /nfs/dbraw/zinc/54/88/92/1303548892.db2.gz KVTNHQNXVPMHNK-GRDNDAEWSA-N 2 1 346.519 3.099 20 0 EGADMP CCC1([NH+]2CCC2)CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000886710860 1303574697 /nfs/dbraw/zinc/57/46/97/1303574697.db2.gz HOGBROGXBYTOQA-UHFFFAOYSA-N 2 1 325.456 3.391 20 0 EGADMP CC[N@H+](CC[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C ZINC000772874279 1303588523 /nfs/dbraw/zinc/58/85/23/1303588523.db2.gz AFUYSWXNCWMCQZ-SJORKVTESA-N 2 1 341.540 3.484 20 0 EGADMP CC[N@@H+](CC[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C ZINC000772874279 1303588528 /nfs/dbraw/zinc/58/85/28/1303588528.db2.gz AFUYSWXNCWMCQZ-SJORKVTESA-N 2 1 341.540 3.484 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000774160707 1303782068 /nfs/dbraw/zinc/78/20/68/1303782068.db2.gz ZRINQQAHYSGLMV-DWIQEWEKSA-N 2 1 336.483 3.193 20 0 EGADMP C[C@@H]1C[C@H](Nc2ccc(OCC[NH+](C)C)c(Cl)c2)CC[N@H+]1C ZINC000777649005 1304329998 /nfs/dbraw/zinc/32/99/98/1304329998.db2.gz BIQZDOFRSAWQFN-UKRRQHHQSA-N 2 1 325.884 3.175 20 0 EGADMP C[NH+](C)C1CC[NH+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000779474845 1304576128 /nfs/dbraw/zinc/57/61/28/1304576128.db2.gz XWVYITPBIFKYEP-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C)CC1CC[NH+](c2ccc(NCC[C@H]3CCOC3)cc2)CC1 ZINC000783583102 1305111887 /nfs/dbraw/zinc/11/18/87/1305111887.db2.gz DRTXLMBAWDWFMA-SFHVURJKSA-N 2 1 331.504 3.303 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cnn(C)c2C2CC2)C1 ZINC000891823350 1305179396 /nfs/dbraw/zinc/17/93/96/1305179396.db2.gz QPRMTCGSWLODKZ-SJORKVTESA-N 2 1 330.520 3.384 20 0 EGADMP COCCOC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000892581635 1305451272 /nfs/dbraw/zinc/45/12/72/1305451272.db2.gz ZVJZBGSDZDOLGA-MSOLQXFVSA-N 2 1 334.504 3.202 20 0 EGADMP CCn1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000893412269 1305881980 /nfs/dbraw/zinc/88/19/80/1305881980.db2.gz LQZGQRUOSCWLNV-VQIMIIECSA-N 2 1 326.488 3.212 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1nc(Br)ccc1F ZINC000788815002 1306022645 /nfs/dbraw/zinc/02/26/45/1306022645.db2.gz BRLSLZGWCHRJRS-SNVBAGLBSA-N 2 1 341.228 3.229 20 0 EGADMP CCn1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)c(-c2ccccc2)n1 ZINC000894086141 1306210006 /nfs/dbraw/zinc/21/00/06/1306210006.db2.gz CRCMPUSCQROLBN-QGZVFWFLSA-N 2 1 326.488 3.344 20 0 EGADMP CCn1cc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)c(-c2ccccc2)n1 ZINC000894086141 1306210011 /nfs/dbraw/zinc/21/00/11/1306210011.db2.gz CRCMPUSCQROLBN-QGZVFWFLSA-N 2 1 326.488 3.344 20 0 EGADMP CCn1cc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)c(-c2ccccc2)n1 ZINC000894086141 1306210014 /nfs/dbraw/zinc/21/00/14/1306210014.db2.gz CRCMPUSCQROLBN-QGZVFWFLSA-N 2 1 326.488 3.344 20 0 EGADMP CCn1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)c(-c2ccccc2)n1 ZINC000894086141 1306210018 /nfs/dbraw/zinc/21/00/18/1306210018.db2.gz CRCMPUSCQROLBN-QGZVFWFLSA-N 2 1 326.488 3.344 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000894312592 1306337948 /nfs/dbraw/zinc/33/79/48/1306337948.db2.gz LSJIHEMVBPRBDN-HUUCEWRRSA-N 2 1 343.471 3.225 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000894312592 1306337950 /nfs/dbraw/zinc/33/79/50/1306337950.db2.gz LSJIHEMVBPRBDN-HUUCEWRRSA-N 2 1 343.471 3.225 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(NC(=O)CC[N@@H+](C)C2CCCCC2)cn1 ZINC000791129062 1308926888 /nfs/dbraw/zinc/92/68/88/1308926888.db2.gz VWDVBBMJSFMGKX-UHFFFAOYSA-N 2 1 341.459 3.169 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(NC(=O)CC[N@H+](C)C2CCCCC2)cn1 ZINC000791129062 1308926892 /nfs/dbraw/zinc/92/68/92/1308926892.db2.gz VWDVBBMJSFMGKX-UHFFFAOYSA-N 2 1 341.459 3.169 20 0 EGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)NC2CC2)cc1 ZINC000895377174 1309305344 /nfs/dbraw/zinc/30/53/44/1309305344.db2.gz KJCOIYZMWNUYOK-OXJNMPFZSA-N 2 1 343.515 3.131 20 0 EGADMP FC(F)(F)Cc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000895478846 1309360001 /nfs/dbraw/zinc/36/00/01/1309360001.db2.gz DQSYLXJXGXXDBC-ZDUSSCGKSA-N 2 1 347.450 3.460 20 0 EGADMP FC(F)(F)Cc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000895478846 1309360008 /nfs/dbraw/zinc/36/00/08/1309360008.db2.gz DQSYLXJXGXXDBC-ZDUSSCGKSA-N 2 1 347.450 3.460 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000798957826 1310463679 /nfs/dbraw/zinc/46/36/79/1310463679.db2.gz HZMBGGUTBUXGNC-KRWDZBQOSA-N 2 1 339.524 3.051 20 0 EGADMP CC[N@H+](CCC1CC[NH+](Cc2cnc(Cl)cn2)CC1)CC1CC1 ZINC000799149952 1310493631 /nfs/dbraw/zinc/49/36/31/1310493631.db2.gz KSLCSRDHIPXTRH-UHFFFAOYSA-N 2 1 336.911 3.464 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc(Cl)cn2)CC1)CC1CC1 ZINC000799149952 1310493635 /nfs/dbraw/zinc/49/36/35/1310493635.db2.gz KSLCSRDHIPXTRH-UHFFFAOYSA-N 2 1 336.911 3.464 20 0 EGADMP Cn1cnc(CNC[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000898042176 1310559925 /nfs/dbraw/zinc/55/99/25/1310559925.db2.gz KAJGYXXXFAJDDR-OAQYLSRUSA-N 2 1 340.515 3.448 20 0 EGADMP Cn1cnc(CNC[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000898042175 1310560018 /nfs/dbraw/zinc/56/00/18/1310560018.db2.gz KAJGYXXXFAJDDR-NRFANRHFSA-N 2 1 340.515 3.448 20 0 EGADMP O=C(OCCC[NH+]1CCCC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000800174744 1310691370 /nfs/dbraw/zinc/69/13/70/1310691370.db2.gz VSFRTRVMDMUPNZ-LJQANCHMSA-N 2 1 330.472 3.070 20 0 EGADMP O=C(OCCC[NH+]1CCCC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000800174744 1310691378 /nfs/dbraw/zinc/69/13/78/1310691378.db2.gz VSFRTRVMDMUPNZ-LJQANCHMSA-N 2 1 330.472 3.070 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC34CCOCC4)C2)cc1 ZINC000800473611 1310764726 /nfs/dbraw/zinc/76/47/26/1310764726.db2.gz BMRMKXDWZIQXOR-WOJBJXKFSA-N 2 1 328.500 3.447 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001018961460 1316986992 /nfs/dbraw/zinc/98/69/92/1316986992.db2.gz FSCDTBZIWUMZDY-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001018967629 1316987852 /nfs/dbraw/zinc/98/78/52/1316987852.db2.gz HEPGKDPACFIXQD-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)cs1 ZINC001019468507 1317263691 /nfs/dbraw/zinc/26/36/91/1317263691.db2.gz XXDLBMMJOBJSAC-ROUUACIJSA-N 2 1 349.544 3.010 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(N(C)C)c3ccccc23)CC[N@@H+]1C ZINC000929782968 1328699900 /nfs/dbraw/zinc/69/99/00/1328699900.db2.gz OEIXAWIYQYMJDU-WBVHZDCISA-N 2 1 326.488 3.215 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(N(C)C)c3ccccc23)CC[N@H+]1C ZINC000929782968 1328699907 /nfs/dbraw/zinc/69/99/07/1328699907.db2.gz OEIXAWIYQYMJDU-WBVHZDCISA-N 2 1 326.488 3.215 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc(N(C)C)c3ccccc23)CC[NH+]1C ZINC000929782968 1328699913 /nfs/dbraw/zinc/69/99/13/1328699913.db2.gz OEIXAWIYQYMJDU-WBVHZDCISA-N 2 1 326.488 3.215 20 0 EGADMP CC(C)=CC[NH+]1CCC2(CCN(C(=O)CCc3cnc[nH]3)CC2)CC1 ZINC000957559602 1317456724 /nfs/dbraw/zinc/45/67/24/1317456724.db2.gz LPKYYGCNNOFRBU-UHFFFAOYSA-N 2 1 344.503 3.013 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC3(CC2)CC[NH+](C(C)C)CC3)C1 ZINC000957559464 1317456870 /nfs/dbraw/zinc/45/68/70/1317456870.db2.gz JOBXDEFRMPAFGH-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc(N(C)C)c3ccccc23)CC[NH+]1C ZINC000929782968 1328699917 /nfs/dbraw/zinc/69/99/17/1328699917.db2.gz OEIXAWIYQYMJDU-WBVHZDCISA-N 2 1 326.488 3.215 20 0 EGADMP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)CC1 ZINC000957561194 1317458780 /nfs/dbraw/zinc/45/87/80/1317458780.db2.gz JCEPLGPSUYSWFR-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)CC1 ZINC000957568274 1317465987 /nfs/dbraw/zinc/46/59/87/1317465987.db2.gz GORLODSPNLRSTR-RBUKOAKNSA-N 2 1 347.547 3.116 20 0 EGADMP CCNc1ccccc1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000902301303 1317560266 /nfs/dbraw/zinc/56/02/66/1317560266.db2.gz JNPAOKVAWGLUSF-UHFFFAOYSA-N 2 1 339.487 3.284 20 0 EGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000902335056 1317565210 /nfs/dbraw/zinc/56/52/10/1317565210.db2.gz ICGZFHXPHKTTQE-IRXDYDNUSA-N 3 1 335.561 3.328 20 0 EGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000902335056 1317565215 /nfs/dbraw/zinc/56/52/15/1317565215.db2.gz ICGZFHXPHKTTQE-IRXDYDNUSA-N 3 1 335.561 3.328 20 0 EGADMP CC1(C)C[NH2+]CC[C@H](NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000902335056 1317565220 /nfs/dbraw/zinc/56/52/20/1317565220.db2.gz ICGZFHXPHKTTQE-IRXDYDNUSA-N 2 1 335.561 3.328 20 0 EGADMP CC1(C)C[NH2+]CC[C@H](NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000902335056 1317565227 /nfs/dbraw/zinc/56/52/27/1317565227.db2.gz ICGZFHXPHKTTQE-IRXDYDNUSA-N 2 1 335.561 3.328 20 0 EGADMP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC1([NH3+])CC1 ZINC000902413302 1317575868 /nfs/dbraw/zinc/57/58/68/1317575868.db2.gz JWOKFXBJFTUYLN-NOZJJQNGSA-N 2 1 327.291 3.313 20 0 EGADMP C[C@H]1C[C@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000902437501 1317578338 /nfs/dbraw/zinc/57/83/38/1317578338.db2.gz JOKYXKCCEHPLPQ-ZHODDXKCSA-N 2 1 335.495 3.254 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1)C(C)C ZINC000957728735 1317594407 /nfs/dbraw/zinc/59/44/07/1317594407.db2.gz WKAKGAIWZRQHOH-IBGZPJMESA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1)C(C)C ZINC000957728735 1317594415 /nfs/dbraw/zinc/59/44/15/1317594415.db2.gz WKAKGAIWZRQHOH-IBGZPJMESA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1)C(C)C ZINC000957728735 1317594421 /nfs/dbraw/zinc/59/44/21/1317594421.db2.gz WKAKGAIWZRQHOH-IBGZPJMESA-N 2 1 337.552 3.076 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902968899 1317633859 /nfs/dbraw/zinc/63/38/59/1317633859.db2.gz YKXQMGOSQFGPHH-JJCGOBCMSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902968899 1317633865 /nfs/dbraw/zinc/63/38/65/1317633865.db2.gz YKXQMGOSQFGPHH-JJCGOBCMSA-N 2 1 336.479 3.145 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[NH+](CCC2=CCCCC2)CC1)[NH+]1CCCC1 ZINC000957782795 1317644814 /nfs/dbraw/zinc/64/48/14/1317644814.db2.gz UDARLJDWMMWLRO-FQEVSTJZSA-N 2 1 347.547 3.142 20 0 EGADMP c1cc(OCC2CC2)ncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903087413 1317650139 /nfs/dbraw/zinc/65/01/39/1317650139.db2.gz TYZSISMFWIOUGD-JLYLLQBASA-N 2 1 327.472 3.118 20 0 EGADMP c1cc(OCC2CC2)ncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903087413 1317650147 /nfs/dbraw/zinc/65/01/47/1317650147.db2.gz TYZSISMFWIOUGD-JLYLLQBASA-N 2 1 327.472 3.118 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000903096457 1317652453 /nfs/dbraw/zinc/65/24/53/1317652453.db2.gz CSKHNNFYJMNLRI-DITUJHHDSA-N 2 1 326.444 3.077 20 0 EGADMP COCCOc1cc(C)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903109918 1317655033 /nfs/dbraw/zinc/65/50/33/1317655033.db2.gz JJTTTYUMMICRSG-CTXDPNEZSA-N 2 1 344.499 3.268 20 0 EGADMP COCCOc1cc(C)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903109918 1317655036 /nfs/dbraw/zinc/65/50/36/1317655036.db2.gz JJTTTYUMMICRSG-CTXDPNEZSA-N 2 1 344.499 3.268 20 0 EGADMP Fc1ccccc1N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903175884 1317668912 /nfs/dbraw/zinc/66/89/12/1317668912.db2.gz WYWUXRIIBDPKIN-UNPWZGGWSA-N 2 1 329.463 3.152 20 0 EGADMP c1cc([C@@H]2C[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CCO2)ccn1 ZINC000903186451 1317669743 /nfs/dbraw/zinc/66/97/43/1317669743.db2.gz KRDLZOGNOPBQLU-MWDBYQCVSA-N 2 1 327.472 3.049 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+](Cc2ccccn2)CC(C)C)cc1 ZINC000903575427 1317708177 /nfs/dbraw/zinc/70/81/77/1317708177.db2.gz OINNUOWAGWXZDO-SFHVURJKSA-N 2 1 327.472 3.291 20 0 EGADMP C[N@H+](Cc1csc2ccccc12)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725181 1317725630 /nfs/dbraw/zinc/72/56/30/1317725630.db2.gz XSWZEJUJQWOKRD-INIZCTEOSA-N 2 1 330.497 3.492 20 0 EGADMP c1ccc([C@@H]2CCC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903725810 1317725653 /nfs/dbraw/zinc/72/56/53/1317725653.db2.gz HVXGVTYVEPUVFW-WOJBJXKFSA-N 2 1 328.500 3.415 20 0 EGADMP c1ccc(C[C@H]2CCC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903729000 1317725971 /nfs/dbraw/zinc/72/59/71/1317725971.db2.gz JBABEAHVMYFHPQ-WOJBJXKFSA-N 2 1 328.500 3.100 20 0 EGADMP c1ccc([C@@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903725808 1317726108 /nfs/dbraw/zinc/72/61/08/1317726108.db2.gz HVXGVTYVEPUVFW-UXHICEINSA-N 2 1 328.500 3.415 20 0 EGADMP C[C@@H]1SCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@H]1c1ccccc1 ZINC000903733453 1317727395 /nfs/dbraw/zinc/72/73/95/1317727395.db2.gz KLALLQMBWTYVAR-QXAKKESOSA-N 2 1 346.540 3.324 20 0 EGADMP C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734052 1317727598 /nfs/dbraw/zinc/72/75/98/1317727598.db2.gz UGWYACTVTMGRMO-HIFRSBDPSA-N 2 1 336.426 3.043 20 0 EGADMP C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734052 1317727604 /nfs/dbraw/zinc/72/76/04/1317727604.db2.gz UGWYACTVTMGRMO-HIFRSBDPSA-N 2 1 336.426 3.043 20 0 EGADMP CCc1csc([C@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903738172 1317728135 /nfs/dbraw/zinc/72/81/35/1317728135.db2.gz YWVIEJKALOBHBP-DOTOQJQBSA-N 2 1 349.544 3.044 20 0 EGADMP CCC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903770717 1317732277 /nfs/dbraw/zinc/73/22/77/1317732277.db2.gz YTHMPNVVPWFITO-LJQANCHMSA-N 2 1 332.488 3.066 20 0 EGADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCC[C@H]1CCC1CCCC1 ZINC000903900113 1317744556 /nfs/dbraw/zinc/74/45/56/1317744556.db2.gz YPUMZZHCMANDDM-ZWKOTPCHSA-N 2 1 331.508 3.137 20 0 EGADMP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903922641 1317749607 /nfs/dbraw/zinc/74/96/07/1317749607.db2.gz BDDVZWGNNPCIAB-SCZZXKLOSA-N 2 1 339.199 3.091 20 0 EGADMP C[C@@]1(CN2CCC[N@@H+](CCCc3ccccc3)CC2)CCC[NH2+]C1 ZINC000904302568 1317827676 /nfs/dbraw/zinc/82/76/76/1317827676.db2.gz YBDFFMGKDFEAOG-OAQYLSRUSA-N 2 1 329.532 3.017 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020661178 1317841617 /nfs/dbraw/zinc/84/16/17/1317841617.db2.gz YZUWYNBGCNLGOF-IYARVYRRSA-N 2 1 346.519 3.214 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001020660884 1317841642 /nfs/dbraw/zinc/84/16/42/1317841642.db2.gz KSOWXJHFEJQVAV-IYARVYRRSA-N 2 1 344.503 3.134 20 0 EGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000904404677 1317841955 /nfs/dbraw/zinc/84/19/55/1317841955.db2.gz CKNUVYRYBSEJOZ-KRWDZBQOSA-N 2 1 338.499 3.396 20 0 EGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000858279629 1328727436 /nfs/dbraw/zinc/72/74/36/1328727436.db2.gz LKXFDVXSTPAPNA-UHFFFAOYSA-N 2 1 346.475 3.466 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001020719775 1317885130 /nfs/dbraw/zinc/88/51/30/1317885130.db2.gz QLXDISYNNBNROU-MUGJNUQGSA-N 2 1 347.547 3.211 20 0 EGADMP COCCOc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809739174 1317886521 /nfs/dbraw/zinc/88/65/21/1317886521.db2.gz ZZGXSEDFVFALTP-UHFFFAOYSA-N 2 1 342.483 3.405 20 0 EGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000810260713 1317989122 /nfs/dbraw/zinc/98/91/22/1317989122.db2.gz GPZSMYVBXQGXQQ-GOSISDBHSA-N 2 1 346.563 3.431 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000810260713 1317989129 /nfs/dbraw/zinc/98/91/29/1317989129.db2.gz GPZSMYVBXQGXQQ-GOSISDBHSA-N 2 1 346.563 3.431 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001021096265 1318079770 /nfs/dbraw/zinc/07/97/70/1318079770.db2.gz LHKCTPNYAPRBSJ-FHWLQOOXSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CCCC2)C1 ZINC000960026385 1318318824 /nfs/dbraw/zinc/31/88/24/1318318824.db2.gz ANDQYZWKXXOVOP-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000960033968 1318319990 /nfs/dbraw/zinc/31/99/90/1318319990.db2.gz VXOUZUNUEPKIQC-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000960091740 1318349196 /nfs/dbraw/zinc/34/91/96/1318349196.db2.gz MDSWIJMEKLTSIU-YSIASYRMSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCCC2)C1 ZINC000960132658 1318373631 /nfs/dbraw/zinc/37/36/31/1318373631.db2.gz XEVPIQVJEHGDSL-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000909020006 1318427333 /nfs/dbraw/zinc/42/73/33/1318427333.db2.gz KNDFJMXVSZQVTD-ICSRJNTNSA-N 2 1 332.488 3.069 20 0 EGADMP COc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000909020006 1318427344 /nfs/dbraw/zinc/42/73/44/1318427344.db2.gz KNDFJMXVSZQVTD-ICSRJNTNSA-N 2 1 332.488 3.069 20 0 EGADMP CC[N@H+](CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)C(C)C ZINC000812718209 1318443958 /nfs/dbraw/zinc/44/39/58/1318443958.db2.gz IJZSWULUCHYGSS-DLBZAZTESA-N 2 1 341.540 3.342 20 0 EGADMP CC[N@@H+](CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)C(C)C ZINC000812718209 1318443965 /nfs/dbraw/zinc/44/39/65/1318443965.db2.gz IJZSWULUCHYGSS-DLBZAZTESA-N 2 1 341.540 3.342 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000812719505 1318444186 /nfs/dbraw/zinc/44/41/86/1318444186.db2.gz UHQAOFCRABRJBD-IKGGRYGDSA-N 2 1 341.540 3.342 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000812719505 1318444192 /nfs/dbraw/zinc/44/41/92/1318444192.db2.gz UHQAOFCRABRJBD-IKGGRYGDSA-N 2 1 341.540 3.342 20 0 EGADMP Cn1cc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C(F)F)n1 ZINC000812759771 1318449491 /nfs/dbraw/zinc/44/94/91/1318449491.db2.gz LDLITTSKOZOSSF-IBGZPJMESA-N 2 1 348.441 3.360 20 0 EGADMP Cn1cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C(F)F)n1 ZINC000812759771 1318449494 /nfs/dbraw/zinc/44/94/94/1318449494.db2.gz LDLITTSKOZOSSF-IBGZPJMESA-N 2 1 348.441 3.360 20 0 EGADMP CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000960310761 1318454709 /nfs/dbraw/zinc/45/47/09/1318454709.db2.gz OFZQBMHJSKOMOK-HSALFYBXSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021682596 1318555566 /nfs/dbraw/zinc/55/55/66/1318555566.db2.gz RTYCQYMSNMDYAK-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021682596 1318555573 /nfs/dbraw/zinc/55/55/73/1318555573.db2.gz RTYCQYMSNMDYAK-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021742121 1318655179 /nfs/dbraw/zinc/65/51/79/1318655179.db2.gz JWTVBIGZAVHPCM-WOJBJXKFSA-N 2 1 343.515 3.083 20 0 EGADMP C[N@H+](Cc1ccsc1)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC000960679789 1318789087 /nfs/dbraw/zinc/78/90/87/1318789087.db2.gz FZBORUMNNDIWQF-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC000960679789 1318789092 /nfs/dbraw/zinc/78/90/92/1318789092.db2.gz FZBORUMNNDIWQF-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC000960679789 1318789099 /nfs/dbraw/zinc/78/90/99/1318789099.db2.gz FZBORUMNNDIWQF-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC000960694037 1318797859 /nfs/dbraw/zinc/79/78/59/1318797859.db2.gz WCVQXAXPKDFUHL-HKUYNNGSSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022200999 1318838225 /nfs/dbraw/zinc/83/82/25/1318838225.db2.gz CATVNTDSSXTVLP-ZCNNSNEGSA-N 2 1 349.563 3.457 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022202101 1318840564 /nfs/dbraw/zinc/84/05/64/1318840564.db2.gz PWLLMQOXLJCWQS-ZCNNSNEGSA-N 2 1 349.563 3.457 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)c1cccc(Cl)c1 ZINC001022291359 1318880321 /nfs/dbraw/zinc/88/03/21/1318880321.db2.gz YFTGCPXSFSHQQU-RUGDWHBFSA-N 2 1 349.906 3.122 20 0 EGADMP C[N@@H+](C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1)CC1CCCCC1 ZINC000960785754 1318887414 /nfs/dbraw/zinc/88/74/14/1318887414.db2.gz IQOHYEPNMIXYNC-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1C[C@H](CC[NH2+]Cc2cnn(C)c2Cl)C[N@H+]1Cc1ccccc1 ZINC000815131447 1318905958 /nfs/dbraw/zinc/90/59/58/1318905958.db2.gz DINQPRSPJGABDI-RDJZCZTQSA-N 2 1 346.906 3.464 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000960827484 1318953869 /nfs/dbraw/zinc/95/38/69/1318953869.db2.gz ZSPDXPGRLUVQPL-FXAWDEMLSA-N 2 1 343.515 3.012 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001022589453 1319005882 /nfs/dbraw/zinc/00/58/82/1319005882.db2.gz XBQLSIODICSMGE-NSHGMRRFSA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCC1)[NH+](C)C ZINC000960865627 1319011389 /nfs/dbraw/zinc/01/13/89/1319011389.db2.gz XKDUEWRKROWFBM-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP Cc1cc(F)ccc1[C@@H](C)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000815582228 1319021112 /nfs/dbraw/zinc/02/11/12/1319021112.db2.gz ASNYRYHKSKENCJ-UTKZUKDTSA-N 2 1 342.458 3.422 20 0 EGADMP Cc1cc(F)ccc1[C@@H](C)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000815582228 1319021119 /nfs/dbraw/zinc/02/11/19/1319021119.db2.gz ASNYRYHKSKENCJ-UTKZUKDTSA-N 2 1 342.458 3.422 20 0 EGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000815582228 1319021123 /nfs/dbraw/zinc/02/11/23/1319021123.db2.gz ASNYRYHKSKENCJ-UTKZUKDTSA-N 2 1 342.458 3.422 20 0 EGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000815582228 1319021131 /nfs/dbraw/zinc/02/11/31/1319021131.db2.gz ASNYRYHKSKENCJ-UTKZUKDTSA-N 2 1 342.458 3.422 20 0 EGADMP COc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1OC ZINC000815639215 1319034094 /nfs/dbraw/zinc/03/40/94/1319034094.db2.gz PZWLMVUBGJHTID-GOOCMWNKSA-N 2 1 338.879 3.115 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC000960913138 1319060140 /nfs/dbraw/zinc/06/01/40/1319060140.db2.gz GDQORWSDDYCBNJ-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022808597 1319119269 /nfs/dbraw/zinc/11/92/69/1319119269.db2.gz YBAVITJQFUMOEI-HSALFYBXSA-N 2 1 349.563 3.457 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1)c1ccccc1 ZINC000961031688 1319155750 /nfs/dbraw/zinc/15/57/50/1319155750.db2.gz MERPSVXQZQRGRK-PMACEKPBSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1)c1ccccc1 ZINC000961031688 1319155755 /nfs/dbraw/zinc/15/57/55/1319155755.db2.gz MERPSVXQZQRGRK-PMACEKPBSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000817286004 1319313979 /nfs/dbraw/zinc/31/39/79/1319313979.db2.gz OXYIUESCHWDLBZ-MRXNPFEDSA-N 2 1 348.362 3.062 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)c1c[nH+]ccc1N ZINC000817906429 1319456306 /nfs/dbraw/zinc/45/63/06/1319456306.db2.gz ZYMNKHAQNHDLJM-YMTOWFKASA-N 2 1 326.227 3.185 20 0 EGADMP O[C@]1(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCCc2ccccc21 ZINC000817912605 1319458642 /nfs/dbraw/zinc/45/86/42/1319458642.db2.gz BPOHYNVAFZDLBB-BVSLBCMMSA-N 2 1 336.479 3.293 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000817918248 1319460102 /nfs/dbraw/zinc/46/01/02/1319460102.db2.gz XKWZHXOHBDZTNX-IGNZVWTISA-N 2 1 336.838 3.061 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)c1cc(Br)ncc1F)[C@@H]1CCC[NH2+]C1 ZINC000817946848 1319472389 /nfs/dbraw/zinc/47/23/89/1319472389.db2.gz GKKPXRZBEDWSIK-OUAUKWLOSA-N 2 1 330.245 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023402917 1319509940 /nfs/dbraw/zinc/50/99/40/1319509940.db2.gz WPERMNGGTWZRPN-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001023402917 1319509951 /nfs/dbraw/zinc/50/99/51/1319509951.db2.gz WPERMNGGTWZRPN-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001023402917 1319509954 /nfs/dbraw/zinc/50/99/54/1319509954.db2.gz WPERMNGGTWZRPN-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)sc2nc(C)nc(C)c12 ZINC000915681877 1319519316 /nfs/dbraw/zinc/51/93/16/1319519316.db2.gz GNBOQJUMGWSYDC-HUUCEWRRSA-N 2 1 330.501 3.333 20 0 EGADMP CCc1ccc2c(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cc(=O)oc2c1 ZINC000818340359 1319529722 /nfs/dbraw/zinc/52/97/22/1319529722.db2.gz LFCGQLPODUJNKN-OAHLLOKOSA-N 2 1 340.467 3.319 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961379921 1319536637 /nfs/dbraw/zinc/53/66/37/1319536637.db2.gz XEFCZMCZKCEOGK-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961379921 1319536643 /nfs/dbraw/zinc/53/66/43/1319536643.db2.gz XEFCZMCZKCEOGK-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961379921 1319536647 /nfs/dbraw/zinc/53/66/47/1319536647.db2.gz XEFCZMCZKCEOGK-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961378549 1319536783 /nfs/dbraw/zinc/53/67/83/1319536783.db2.gz OGEOBOQICZPEPZ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961378549 1319536790 /nfs/dbraw/zinc/53/67/90/1319536790.db2.gz OGEOBOQICZPEPZ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961378549 1319536796 /nfs/dbraw/zinc/53/67/96/1319536796.db2.gz OGEOBOQICZPEPZ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001023445943 1319546654 /nfs/dbraw/zinc/54/66/54/1319546654.db2.gz FUCLDFSOPGWFIB-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001023445943 1319546640 /nfs/dbraw/zinc/54/66/40/1319546640.db2.gz FUCLDFSOPGWFIB-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001023445943 1319546647 /nfs/dbraw/zinc/54/66/47/1319546647.db2.gz FUCLDFSOPGWFIB-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023453614 1319556687 /nfs/dbraw/zinc/55/66/87/1319556687.db2.gz CYRKFEJOZBWCFS-NVXWUHKLSA-N 2 1 342.487 3.131 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000961415209 1319572940 /nfs/dbraw/zinc/57/29/40/1319572940.db2.gz IZKSMQOCNIWVRZ-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000818960455 1319591990 /nfs/dbraw/zinc/59/19/90/1319591990.db2.gz ZGPYGFSNPYFDQZ-KBXCAEBGSA-N 2 1 326.431 3.242 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000818964967 1319595298 /nfs/dbraw/zinc/59/52/98/1319595298.db2.gz AUEIHFCUCAPVTN-ZBEGNZNMSA-N 2 1 342.270 3.458 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961441690 1319595390 /nfs/dbraw/zinc/59/53/90/1319595390.db2.gz PYXNAVPPEOCLDZ-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2c(F)cccc2F)c1 ZINC000818971413 1319598256 /nfs/dbraw/zinc/59/82/56/1319598256.db2.gz WEMADDOJWAMVBX-GOSISDBHSA-N 2 1 334.410 3.240 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000818980914 1319601480 /nfs/dbraw/zinc/60/14/80/1319601480.db2.gz PEKLZAFGVVMEOS-BLLLJJGKSA-N 2 1 331.287 3.348 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001023696821 1319824440 /nfs/dbraw/zinc/82/44/40/1319824440.db2.gz XIFRSPBGEMGZAX-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001023696821 1319824448 /nfs/dbraw/zinc/82/44/48/1319824448.db2.gz XIFRSPBGEMGZAX-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001023696821 1319824455 /nfs/dbraw/zinc/82/44/55/1319824455.db2.gz XIFRSPBGEMGZAX-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707832 1319837154 /nfs/dbraw/zinc/83/71/54/1319837154.db2.gz XPTNKSRDCIVSHO-KRWDZBQOSA-N 2 1 346.519 3.026 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707832 1319837162 /nfs/dbraw/zinc/83/71/62/1319837162.db2.gz XPTNKSRDCIVSHO-KRWDZBQOSA-N 2 1 346.519 3.026 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001023761984 1319907456 /nfs/dbraw/zinc/90/74/56/1319907456.db2.gz OHJICSZAJLZWEQ-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001023761984 1319907466 /nfs/dbraw/zinc/90/74/66/1319907466.db2.gz OHJICSZAJLZWEQ-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001023761984 1319907474 /nfs/dbraw/zinc/90/74/74/1319907474.db2.gz OHJICSZAJLZWEQ-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC000962385562 1319945486 /nfs/dbraw/zinc/94/54/86/1319945486.db2.gz QNAMUHJUFMIOQS-NKELODKYSA-N 2 1 349.563 3.170 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000825331924 1320328663 /nfs/dbraw/zinc/32/86/63/1320328663.db2.gz NUVXPXLWNJVEPQ-CABCVRRESA-N 2 1 346.462 3.208 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000825331924 1320328666 /nfs/dbraw/zinc/32/86/66/1320328666.db2.gz NUVXPXLWNJVEPQ-CABCVRRESA-N 2 1 346.462 3.208 20 0 EGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000930545562 1328892181 /nfs/dbraw/zinc/89/21/81/1328892181.db2.gz NVKLPEAFJNRPMS-IAGOWNOFSA-N 2 1 347.503 3.116 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)c1 ZINC000840721456 1321135344 /nfs/dbraw/zinc/13/53/44/1321135344.db2.gz CLAMIDOSUUBBRT-LPHOPBHVSA-N 2 1 332.488 3.298 20 0 EGADMP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]C[C@@H](C)C[NH3+] ZINC000841049750 1321209995 /nfs/dbraw/zinc/20/99/95/1321209995.db2.gz WBNGNEUVMBOQBT-JTQLQIEISA-N 2 1 327.259 3.172 20 0 EGADMP CCOc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)ccc1OC(=O)CC ZINC000841086824 1321216055 /nfs/dbraw/zinc/21/60/55/1321216055.db2.gz MOGPOFNNHUAJAA-MRXNPFEDSA-N 2 1 334.460 3.008 20 0 EGADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214778 1328947650 /nfs/dbraw/zinc/94/76/50/1328947650.db2.gz NQGOIGFBJZGGCL-KRWDZBQOSA-N 2 1 333.520 3.073 20 0 EGADMP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214778 1328947654 /nfs/dbraw/zinc/94/76/54/1328947654.db2.gz NQGOIGFBJZGGCL-KRWDZBQOSA-N 2 1 333.520 3.073 20 0 EGADMP C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215003 1328947930 /nfs/dbraw/zinc/94/79/30/1328947930.db2.gz WTOSURCVKMTUKI-KURKYZTESA-N 2 1 345.531 3.073 20 0 EGADMP CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214861 1328948046 /nfs/dbraw/zinc/94/80/46/1328948046.db2.gz UXBIOLIIVUYSIH-FQEVSTJZSA-N 2 1 339.483 3.010 20 0 EGADMP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214861 1328948050 /nfs/dbraw/zinc/94/80/50/1328948050.db2.gz UXBIOLIIVUYSIH-FQEVSTJZSA-N 2 1 339.483 3.010 20 0 EGADMP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859216065 1328949459 /nfs/dbraw/zinc/94/94/59/1328949459.db2.gz WZIDXADDGOBDAV-XLIONFOSSA-N 2 1 345.531 3.360 20 0 EGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000842475997 1321392870 /nfs/dbraw/zinc/39/28/70/1321392870.db2.gz DAOVZDXGBXAUEL-KRWDZBQOSA-N 2 1 333.524 3.093 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842710737 1321422522 /nfs/dbraw/zinc/42/25/22/1321422522.db2.gz CDSYLYWNLTZOLA-LLVKDONJSA-N 2 1 346.700 3.319 20 0 EGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC000843052193 1321461769 /nfs/dbraw/zinc/46/17/69/1321461769.db2.gz KICBYVJHFSGLAH-QGZVFWFLSA-N 2 1 328.431 3.446 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC000843052193 1321461786 /nfs/dbraw/zinc/46/17/86/1321461786.db2.gz KICBYVJHFSGLAH-QGZVFWFLSA-N 2 1 328.431 3.446 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000843354785 1321505659 /nfs/dbraw/zinc/50/56/59/1321505659.db2.gz NPBAAYXBMMRAEZ-GOSISDBHSA-N 2 1 328.456 3.087 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000843354785 1321505665 /nfs/dbraw/zinc/50/56/65/1321505665.db2.gz NPBAAYXBMMRAEZ-GOSISDBHSA-N 2 1 328.456 3.087 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc(=O)oc2c1C ZINC000843386873 1321509225 /nfs/dbraw/zinc/50/92/25/1321509225.db2.gz DOCISLPFVFNXDP-IRXDYDNUSA-N 2 1 340.467 3.231 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000843386796 1321509482 /nfs/dbraw/zinc/50/94/82/1321509482.db2.gz MJHNZPFYNIYHQK-IRXDYDNUSA-N 2 1 340.467 3.313 20 0 EGADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc2ccccc2c1 ZINC000843387086 1321509758 /nfs/dbraw/zinc/50/97/58/1321509758.db2.gz DUPJHNUMJLNQTE-RTBURBONSA-N 2 1 337.467 3.100 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc(=O)oc2c1C ZINC000843386871 1321509843 /nfs/dbraw/zinc/50/98/43/1321509843.db2.gz DOCISLPFVFNXDP-DLBZAZTESA-N 2 1 340.467 3.231 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000846219075 1321777669 /nfs/dbraw/zinc/77/76/69/1321777669.db2.gz FMNDNLQFLHNBPN-UHFFFAOYSA-N 2 1 329.257 3.465 20 0 EGADMP [NH3+]CCCCCC[N@@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000846219075 1321777667 /nfs/dbraw/zinc/77/76/67/1321777667.db2.gz FMNDNLQFLHNBPN-UHFFFAOYSA-N 2 1 329.257 3.465 20 0 EGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(Br)CC1 ZINC000846808809 1321810843 /nfs/dbraw/zinc/81/08/43/1321810843.db2.gz JPYCZVRCMZURAG-MRXNPFEDSA-N 2 1 337.305 3.368 20 0 EGADMP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Oc1ccccc1 ZINC000848531132 1321969943 /nfs/dbraw/zinc/96/99/43/1321969943.db2.gz MWACPYKFCSNZIQ-LJQANCHMSA-N 2 1 332.488 3.077 20 0 EGADMP COC(=O)/C=C\c1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000848894849 1322034368 /nfs/dbraw/zinc/03/43/68/1322034368.db2.gz PQTNFFGBUGIRHN-SNGWPZLWSA-N 2 1 334.460 3.210 20 0 EGADMP COC(=O)/C=C/c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)o1 ZINC000848895949 1322036155 /nfs/dbraw/zinc/03/61/55/1322036155.db2.gz ZHCPNQMAZQLYJQ-SCOAYWHSSA-N 2 1 334.460 3.068 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000849090821 1322074883 /nfs/dbraw/zinc/07/48/83/1322074883.db2.gz QUOJXKKRRBVCCP-GFCCVEGCSA-N 2 1 330.398 3.050 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000849105403 1322079855 /nfs/dbraw/zinc/07/98/55/1322079855.db2.gz KPZVDLHEYFYQMY-HSALFYBXSA-N 2 1 336.483 3.294 20 0 EGADMP CS[C@H]1CCC[C@@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1 ZINC000921817518 1322403937 /nfs/dbraw/zinc/40/39/37/1322403937.db2.gz KFAHOLPBKIRNOZ-SJORKVTESA-N 2 1 334.533 3.326 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000922180663 1322473172 /nfs/dbraw/zinc/47/31/72/1322473172.db2.gz FDXJXHPWQYPIJR-BRWVUGGUSA-N 2 1 339.524 3.001 20 0 EGADMP CC(C)c1nc([C@@H]2CCC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)no1 ZINC000923369791 1322741316 /nfs/dbraw/zinc/74/13/16/1322741316.db2.gz OQLHPLNUZKZYOI-IFFAKLHKSA-N 2 1 332.492 3.293 20 0 EGADMP O[C@H](C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccc(F)cc1Cl ZINC000923390860 1322744077 /nfs/dbraw/zinc/74/40/77/1322744077.db2.gz WKGVELHPTSFAPA-RDTXWAMCSA-N 2 1 340.870 3.224 20 0 EGADMP c1csc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]CC4)CC3)n2)c1 ZINC000923503405 1322764838 /nfs/dbraw/zinc/76/48/38/1322764838.db2.gz KSSATRCXCIXCGF-AWEZNQCLSA-N 2 1 346.500 3.400 20 0 EGADMP FC(F)(F)c1cccc(OCCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923519137 1322768271 /nfs/dbraw/zinc/76/82/71/1322768271.db2.gz PRARLSIBKBLUGV-UONOGXRCSA-N 2 1 328.378 3.016 20 0 EGADMP CCN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1cccc(C)c1 ZINC000924566232 1323056251 /nfs/dbraw/zinc/05/62/51/1323056251.db2.gz WFGNJDZGNQHLMR-VCSGRIEYSA-N 2 1 345.531 3.053 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024010161 1323078193 /nfs/dbraw/zinc/07/81/93/1323078193.db2.gz HPVKETFSYIABES-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CON1CCC([NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000924670412 1323104271 /nfs/dbraw/zinc/10/42/71/1323104271.db2.gz ZYFKLDQNEWDVAS-QGZVFWFLSA-N 2 1 331.504 3.034 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)C1 ZINC000924689040 1323113506 /nfs/dbraw/zinc/11/35/06/1323113506.db2.gz WGZGNXJWDDZCCZ-RLLQIKCJSA-N 2 1 332.536 3.233 20 0 EGADMP CC1(C)OC[C@H](CC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)O1 ZINC000852039633 1323137103 /nfs/dbraw/zinc/13/71/03/1323137103.db2.gz HJOQLFTWYWHIOD-FPOVZHCZSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@H](CC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)O1 ZINC000852039633 1323137109 /nfs/dbraw/zinc/13/71/09/1323137109.db2.gz HJOQLFTWYWHIOD-FPOVZHCZSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@H](CC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)O1 ZINC000852039633 1323137116 /nfs/dbraw/zinc/13/71/16/1323137116.db2.gz HJOQLFTWYWHIOD-FPOVZHCZSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@@H](C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)O1 ZINC000852087415 1323144516 /nfs/dbraw/zinc/14/45/16/1323144516.db2.gz ZSWWZBCGMLYZGR-LJQANCHMSA-N 2 1 344.499 3.126 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000924838529 1323184161 /nfs/dbraw/zinc/18/41/61/1323184161.db2.gz OHMFZGUQJCKSTJ-UHFFFAOYSA-N 2 1 343.515 3.179 20 0 EGADMP CCCC[NH+]1CCC([NH2+][C@H](C)[C@@H](NC(C)=O)c2ccccc2F)CC1 ZINC000924845011 1323185031 /nfs/dbraw/zinc/18/50/31/1323185031.db2.gz CWSJIOAACSFLCR-FOIQADDNSA-N 2 1 349.494 3.246 20 0 EGADMP Cc1cc(C[NH2+]C2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)cs1 ZINC000963158267 1323220434 /nfs/dbraw/zinc/22/04/34/1323220434.db2.gz WHTPQUUSZHBHEF-ABHNRTSZSA-N 2 1 349.544 3.010 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)c1 ZINC000924962159 1323229494 /nfs/dbraw/zinc/22/94/94/1323229494.db2.gz ZSVVSXYSEUDWKZ-LEWJYISDSA-N 2 1 340.515 3.373 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925056868 1323259224 /nfs/dbraw/zinc/25/92/24/1323259224.db2.gz JRVJYTOBYDGTSA-OXJNMPFZSA-N 2 1 346.515 3.208 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](O)c1ccccn1 ZINC000853100191 1323281697 /nfs/dbraw/zinc/28/16/97/1323281697.db2.gz ZJKKELLLFRLUKF-UTKZUKDTSA-N 2 1 339.483 3.279 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479154 1323430908 /nfs/dbraw/zinc/43/09/08/1323430908.db2.gz AOEDDZKKHBCTGA-RTBURBONSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479154 1323430911 /nfs/dbraw/zinc/43/09/11/1323430911.db2.gz AOEDDZKKHBCTGA-RTBURBONSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479154 1323430913 /nfs/dbraw/zinc/43/09/13/1323430913.db2.gz AOEDDZKKHBCTGA-RTBURBONSA-N 2 1 335.536 3.164 20 0 EGADMP CCC(CC)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479674 1323433019 /nfs/dbraw/zinc/43/30/19/1323433019.db2.gz MWCSHDNFVPCJCT-QZTJIDSGSA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479674 1323433022 /nfs/dbraw/zinc/43/30/22/1323433022.db2.gz MWCSHDNFVPCJCT-QZTJIDSGSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024520384 1323468378 /nfs/dbraw/zinc/46/83/78/1323468378.db2.gz JLLKIKILPKKFQW-KRWDZBQOSA-N 2 1 340.471 3.193 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024570680 1323507909 /nfs/dbraw/zinc/50/79/09/1323507909.db2.gz NGGSZKBQXXFEQU-LJQANCHMSA-N 2 1 345.531 3.175 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024618864 1323547091 /nfs/dbraw/zinc/54/70/91/1323547091.db2.gz ZDXMJMDQWUFUPJ-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024618864 1323547096 /nfs/dbraw/zinc/54/70/96/1323547096.db2.gz ZDXMJMDQWUFUPJ-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001024618864 1323547101 /nfs/dbraw/zinc/54/71/01/1323547101.db2.gz ZDXMJMDQWUFUPJ-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CCC2=CCCCC2)CC1 ZINC001024633276 1323558652 /nfs/dbraw/zinc/55/86/52/1323558652.db2.gz GYJBRTAXCZVHPF-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811555 1323713356 /nfs/dbraw/zinc/71/33/56/1323713356.db2.gz UWSAADVITNDOAM-APWZRJJASA-N 2 1 349.494 3.081 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)CC[N@H+]1C ZINC001024968497 1323804108 /nfs/dbraw/zinc/80/41/08/1323804108.db2.gz YXRCALPULRQQFD-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001024979766 1323811991 /nfs/dbraw/zinc/81/19/91/1323811991.db2.gz YISWUFSRFOFGMP-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001024989662 1323815414 /nfs/dbraw/zinc/81/54/14/1323815414.db2.gz VXOUZUNUEPKIQC-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001025008775 1323824176 /nfs/dbraw/zinc/82/41/76/1323824176.db2.gz BGSWRELWGUDADV-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+]1CC1CCC1)C1CCC1 ZINC001025241380 1324036398 /nfs/dbraw/zinc/03/63/98/1324036398.db2.gz WWWAKUBFQFCPLI-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CC1CCC1)C1CCC1 ZINC001025241380 1324036401 /nfs/dbraw/zinc/03/64/01/1324036401.db2.gz WWWAKUBFQFCPLI-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+]1CC1CCC1)C1CCC1 ZINC001025241380 1324036407 /nfs/dbraw/zinc/03/64/07/1324036407.db2.gz WWWAKUBFQFCPLI-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025261583 1324072478 /nfs/dbraw/zinc/07/24/78/1324072478.db2.gz XAHVXDABASQJSI-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025273934 1324090092 /nfs/dbraw/zinc/09/00/92/1324090092.db2.gz IKTCLMARPBTUNV-ROUUACIJSA-N 2 1 346.519 3.262 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025273934 1324090099 /nfs/dbraw/zinc/09/00/99/1324090099.db2.gz IKTCLMARPBTUNV-ROUUACIJSA-N 2 1 346.519 3.262 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294644 1324124128 /nfs/dbraw/zinc/12/41/28/1324124128.db2.gz LYYDPQKLAVEWOM-RTBURBONSA-N 2 1 344.503 3.003 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294644 1324124131 /nfs/dbraw/zinc/12/41/31/1324124131.db2.gz LYYDPQKLAVEWOM-RTBURBONSA-N 2 1 344.503 3.003 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557241 1324406503 /nfs/dbraw/zinc/40/65/03/1324406503.db2.gz FPRSSOKNVFQAKK-YLJYHZDGSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025559956 1324407345 /nfs/dbraw/zinc/40/73/45/1324407345.db2.gz YGYIKSDPDIZRRW-FXAWDEMLSA-N 2 1 345.531 3.235 20 0 EGADMP COc1cccc([C@@H](O)C2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000860144348 1329158110 /nfs/dbraw/zinc/15/81/10/1329158110.db2.gz XACHRQJYYONJMZ-CTNGQTDRSA-N 2 1 346.515 3.315 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001026492736 1324846994 /nfs/dbraw/zinc/84/69/94/1324846994.db2.gz VWUVDLICYFMVAY-SOAGJPPSSA-N 2 1 349.563 3.457 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001026561341 1324896460 /nfs/dbraw/zinc/89/64/60/1324896460.db2.gz XBFLCTANJIOKRD-IVMQYODDSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315766 1325100596 /nfs/dbraw/zinc/10/05/96/1325100596.db2.gz YGFYWPITURMRIO-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2CC[C@@H](C3CCCCC3)C2=O)CC1 ZINC000853496731 1325106056 /nfs/dbraw/zinc/10/60/56/1325106056.db2.gz JUWBJIAWQJJTBK-FQEVSTJZSA-N 2 1 349.563 3.425 20 0 EGADMP CC(=O)N[C@@H](c1ccccc1F)[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000925308854 1325120643 /nfs/dbraw/zinc/12/06/43/1325120643.db2.gz SPNUYRNTPHTKQH-IFXJQAMLSA-N 2 1 349.494 3.244 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@H](O)c2c(F)cccc2F)CC1 ZINC000925457289 1325158110 /nfs/dbraw/zinc/15/81/10/1325158110.db2.gz RVBPGHPOGQCPKV-KRWDZBQOSA-N 2 1 326.431 3.098 20 0 EGADMP COc1cccc(Oc2ncccc2C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925522884 1325190099 /nfs/dbraw/zinc/19/00/99/1325190099.db2.gz PBZHJOHBGXPZQC-ROUUACIJSA-N 2 1 339.439 3.242 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccnc2Oc2cccc(F)c2)C12CCC2 ZINC000925547398 1325202477 /nfs/dbraw/zinc/20/24/77/1325202477.db2.gz UPMWBBXAODIOCG-SJORKVTESA-N 2 1 327.403 3.373 20 0 EGADMP Clc1ncccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000854220061 1325230465 /nfs/dbraw/zinc/23/04/65/1325230465.db2.gz YSVHQELYCKSVQV-MAUKXSAKSA-N 2 1 329.831 3.081 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)C12CCC2 ZINC000925627034 1325238396 /nfs/dbraw/zinc/23/83/96/1325238396.db2.gz VTRYWSPPEVUIRQ-MOPGFXCFSA-N 2 1 335.451 3.298 20 0 EGADMP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccccc1I ZINC000925739957 1325276700 /nfs/dbraw/zinc/27/67/00/1325276700.db2.gz CJKDKZLXANWUQL-JTQLQIEISA-N 2 1 332.229 3.069 20 0 EGADMP c1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925801046 1325307602 /nfs/dbraw/zinc/30/76/02/1325307602.db2.gz YVSVPJGPXUDJRU-UFYCRDLUSA-N 2 1 328.500 3.461 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cn(C)cn1 ZINC000926137300 1325443942 /nfs/dbraw/zinc/44/39/42/1325443942.db2.gz SPVHMQVPWYLWNQ-MTFMMBMASA-N 2 1 338.499 3.371 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cn(C)cn1 ZINC000926137300 1325443948 /nfs/dbraw/zinc/44/39/48/1325443948.db2.gz SPVHMQVPWYLWNQ-MTFMMBMASA-N 2 1 338.499 3.371 20 0 EGADMP C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000926287433 1325504523 /nfs/dbraw/zinc/50/45/23/1325504523.db2.gz NZTWSTUGJZDIJV-SJORKVTESA-N 2 1 343.471 3.493 20 0 EGADMP C[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000926287433 1325504529 /nfs/dbraw/zinc/50/45/29/1325504529.db2.gz NZTWSTUGJZDIJV-SJORKVTESA-N 2 1 343.471 3.493 20 0 EGADMP CC[N@H+]1C[C@H](C)N(C(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)C[C@H]1C ZINC000857165769 1325586918 /nfs/dbraw/zinc/58/69/18/1325586918.db2.gz AVOWEPNZRHGHJY-UWVAXJGDSA-N 2 1 343.515 3.051 20 0 EGADMP CC[NH+]1C[C@H](C)N(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C[C@H]1C ZINC000857165769 1325586925 /nfs/dbraw/zinc/58/69/25/1325586925.db2.gz AVOWEPNZRHGHJY-UWVAXJGDSA-N 2 1 343.515 3.051 20 0 EGADMP CC[NH+]1C[C@H](C)N(C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C[C@H]1C ZINC000857165769 1325586933 /nfs/dbraw/zinc/58/69/33/1325586933.db2.gz AVOWEPNZRHGHJY-UWVAXJGDSA-N 2 1 343.515 3.051 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(Br)n1 ZINC000926572216 1327620029 /nfs/dbraw/zinc/62/00/29/1327620029.db2.gz CVQIYRDBLYBRHS-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1 ZINC001027417170 1327643094 /nfs/dbraw/zinc/64/30/94/1327643094.db2.gz WKSQGZZHZUAVHP-WMZOPIPTSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC001027417170 1327643103 /nfs/dbraw/zinc/64/31/03/1327643103.db2.gz WKSQGZZHZUAVHP-WMZOPIPTSA-N 2 1 346.519 3.120 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)CC3CC(C)(C)C3)C2)CC[N@H+]1C ZINC001027417527 1327643185 /nfs/dbraw/zinc/64/31/85/1327643185.db2.gz ALUXOIQKYUEPOW-GBESFXJTSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@H+](C)CC3CC(C)(C)C3)C2)CC[NH+]1C ZINC001027417527 1327643192 /nfs/dbraw/zinc/64/31/92/1327643192.db2.gz ALUXOIQKYUEPOW-GBESFXJTSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)CC3CC(C)(C)C3)C2)CC[NH+]1C ZINC001027417527 1327643203 /nfs/dbraw/zinc/64/32/03/1327643203.db2.gz ALUXOIQKYUEPOW-GBESFXJTSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H](Cc1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926675468 1327661002 /nfs/dbraw/zinc/66/10/02/1327661002.db2.gz ACDWTDANVKMBHG-UMQXSMKFSA-N 2 1 334.479 3.378 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1(CO)CC1 ZINC000926694559 1327670073 /nfs/dbraw/zinc/67/00/73/1327670073.db2.gz RNLCYOPQVMDJKA-OHSMVPPVSA-N 2 1 328.500 3.323 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCCC2)C1)C1CC1 ZINC001027445105 1327685940 /nfs/dbraw/zinc/68/59/40/1327685940.db2.gz ZWENOCQPXFEIQJ-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(=O)N(C)c1ccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)cc1 ZINC000926755077 1327701144 /nfs/dbraw/zinc/70/11/44/1327701144.db2.gz LMTBPNGZTRZEER-UHFFFAOYSA-N 2 1 331.504 3.269 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C)cc2C)C1)[NH+](C)C ZINC001027461855 1327710693 /nfs/dbraw/zinc/71/06/93/1327710693.db2.gz QOPITVZLDGGTAP-VQTJNVASSA-N 2 1 345.531 3.066 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCC2)C1 ZINC001027473641 1327730673 /nfs/dbraw/zinc/73/06/73/1327730673.db2.gz PQRLEJLGBIADPK-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC001027473641 1327730678 /nfs/dbraw/zinc/73/06/78/1327730678.db2.gz PQRLEJLGBIADPK-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027473641 1327730685 /nfs/dbraw/zinc/73/06/85/1327730685.db2.gz PQRLEJLGBIADPK-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC001027493658 1327753955 /nfs/dbraw/zinc/75/39/55/1327753955.db2.gz MEKVIULHDZZFHV-LJQANCHMSA-N 2 1 344.503 3.005 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC001027493658 1327753963 /nfs/dbraw/zinc/75/39/63/1327753963.db2.gz MEKVIULHDZZFHV-LJQANCHMSA-N 2 1 344.503 3.005 20 0 EGADMP c1ccc([C@H]2C[C@H]([NH2+]CC3CC4(C3)OCCO4)CC[N@@H+]2C2CC2)cc1 ZINC000926998433 1327812025 /nfs/dbraw/zinc/81/20/25/1327812025.db2.gz CCLCYOPWDSPTHA-UYAOXDASSA-N 2 1 342.483 3.097 20 0 EGADMP c1ccc([C@H]2C[C@H]([NH2+]CC3CC4(C3)OCCO4)CC[N@H+]2C2CC2)cc1 ZINC000926998433 1327812031 /nfs/dbraw/zinc/81/20/31/1327812031.db2.gz CCLCYOPWDSPTHA-UYAOXDASSA-N 2 1 342.483 3.097 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCCC2)C1)[NH+](C)C ZINC001027578110 1327913412 /nfs/dbraw/zinc/91/34/12/1327913412.db2.gz CUPNIOBJBPXTBK-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH+](C)CCC3CCCCC3)C2)C1 ZINC001027576366 1327914137 /nfs/dbraw/zinc/91/41/37/1327914137.db2.gz NNTXHMZUGWPTTL-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@H]([N@H+](C)CCC3CCCCC3)C2)C1 ZINC001027576366 1327914147 /nfs/dbraw/zinc/91/41/47/1327914147.db2.gz NNTXHMZUGWPTTL-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@H]([N@@H+](C)CCC3CCCCC3)C2)C1 ZINC001027576366 1327914160 /nfs/dbraw/zinc/91/41/60/1327914160.db2.gz NNTXHMZUGWPTTL-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2ccsc2)C1 ZINC001027694353 1328100404 /nfs/dbraw/zinc/10/04/04/1328100404.db2.gz WDOOHOKLUZJXBS-QZTJIDSGSA-N 2 1 349.544 3.045 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccsc2)C1 ZINC001027694353 1328100409 /nfs/dbraw/zinc/10/04/09/1328100409.db2.gz WDOOHOKLUZJXBS-QZTJIDSGSA-N 2 1 349.544 3.045 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccsc2)C1 ZINC001027694353 1328100415 /nfs/dbraw/zinc/10/04/15/1328100415.db2.gz WDOOHOKLUZJXBS-QZTJIDSGSA-N 2 1 349.544 3.045 20 0 EGADMP CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027694643 1328101138 /nfs/dbraw/zinc/10/11/38/1328101138.db2.gz FETBCOXUYSWKRU-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCCC2)C1 ZINC001027694503 1328101189 /nfs/dbraw/zinc/10/11/89/1328101189.db2.gz AQMTYJZBNKQQAR-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027694503 1328101195 /nfs/dbraw/zinc/10/11/95/1328101195.db2.gz AQMTYJZBNKQQAR-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027694503 1328101201 /nfs/dbraw/zinc/10/12/01/1328101201.db2.gz AQMTYJZBNKQQAR-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966076849 1328171308 /nfs/dbraw/zinc/17/13/08/1328171308.db2.gz ODCLTHCFOCTCGO-QZTJIDSGSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027879198 1328344666 /nfs/dbraw/zinc/34/46/66/1328344666.db2.gz PAJBKDISWUMJFL-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001027879198 1328344672 /nfs/dbraw/zinc/34/46/72/1328344672.db2.gz PAJBKDISWUMJFL-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001027879198 1328344681 /nfs/dbraw/zinc/34/46/81/1328344681.db2.gz PAJBKDISWUMJFL-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCC2=CCCCC2)CC[N@H+]1C ZINC001027893482 1328358813 /nfs/dbraw/zinc/35/88/13/1328358813.db2.gz XIJZVFPEJBIUMO-HSALFYBXSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCC2=CCCCC2)CC[NH+]1C ZINC001027893482 1328358822 /nfs/dbraw/zinc/35/88/22/1328358822.db2.gz XIJZVFPEJBIUMO-HSALFYBXSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCC2=CCCCC2)CC[NH+]1C ZINC001027893482 1328358829 /nfs/dbraw/zinc/35/88/29/1328358829.db2.gz XIJZVFPEJBIUMO-HSALFYBXSA-N 2 1 347.547 3.188 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CCC1CCCC1)C12CCC[NH+](CCC1)C2 ZINC001027963606 1328435192 /nfs/dbraw/zinc/43/51/92/1328435192.db2.gz BOUVLPJMOXKLAI-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029512 1328492258 /nfs/dbraw/zinc/49/22/58/1328492258.db2.gz GKDYZSVFSSDJIN-JXFKEZNVSA-N 2 1 348.450 3.290 20 0 EGADMP Fc1c(Br)ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1F ZINC000863541406 1329562094 /nfs/dbraw/zinc/56/20/94/1329562094.db2.gz IFJQAEPQKOUGKK-UHFFFAOYSA-N 2 1 345.231 3.303 20 0 EGADMP Fc1c(Br)ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1F ZINC000863541406 1329562096 /nfs/dbraw/zinc/56/20/96/1329562096.db2.gz IFJQAEPQKOUGKK-UHFFFAOYSA-N 2 1 345.231 3.303 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932191774 1329793209 /nfs/dbraw/zinc/79/32/09/1329793209.db2.gz OVBAUCXTFSLFFC-OAHLLOKOSA-N 2 1 330.501 3.406 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932191774 1329793210 /nfs/dbraw/zinc/79/32/10/1329793210.db2.gz OVBAUCXTFSLFFC-OAHLLOKOSA-N 2 1 330.501 3.406 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)CC[NH2+]C(C)(C)C)[C@@H]1c1cccs1 ZINC000933458281 1329890772 /nfs/dbraw/zinc/89/07/72/1329890772.db2.gz ZLOJDMPLKWFUTK-RHSMWYFYSA-N 2 1 337.533 3.025 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866423957 1330109761 /nfs/dbraw/zinc/10/97/61/1330109761.db2.gz BINSHPKUPPUUTF-NSHGMRRFSA-N 2 1 346.515 3.276 20 0 EGADMP COc1ccccc1-c1nc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)co1 ZINC000866666110 1330139561 /nfs/dbraw/zinc/13/95/61/1330139561.db2.gz NVGAAOOUCXXHGR-HOTGVXAUSA-N 2 1 341.455 3.172 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942102348 1331830975 /nfs/dbraw/zinc/83/09/75/1331830975.db2.gz XQJMYHOYLHFTGQ-ZBFHGGJFSA-N 2 1 337.533 3.050 20 0 EGADMP C[C@H]1C[N@@H+](CCC2CCCC2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942558554 1331973224 /nfs/dbraw/zinc/97/32/24/1331973224.db2.gz YFYTXWIEQZADGF-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945028269 1332480878 /nfs/dbraw/zinc/48/08/78/1332480878.db2.gz GVWRDZNQIBRZMO-YLJYHZDGSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCCCC3)C[C@H]2CC1)[NH+](C)C ZINC000946642831 1332869477 /nfs/dbraw/zinc/86/94/77/1332869477.db2.gz QXSOVEZNPWUQOV-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946904570 1332929274 /nfs/dbraw/zinc/92/92/74/1332929274.db2.gz JZKRCOKOJIKFFY-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1CC1CCCC1 ZINC000947506043 1333149365 /nfs/dbraw/zinc/14/93/65/1333149365.db2.gz JEMCWYLQCXCCFQ-CRAIPNDOSA-N 2 1 340.471 3.107 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947505721 1333149809 /nfs/dbraw/zinc/14/98/09/1333149809.db2.gz CZPBVRGSFPACAS-QAPCUYQASA-N 2 1 342.487 3.353 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CCC(C)(C)C ZINC000947727546 1333242266 /nfs/dbraw/zinc/24/22/66/1333242266.db2.gz YXABLTAJFNQLFP-SJORKVTESA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CCC(C)(C)C ZINC000947727546 1333242268 /nfs/dbraw/zinc/24/22/68/1333242268.db2.gz YXABLTAJFNQLFP-SJORKVTESA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CCC(C)(C)C ZINC000947727546 1333242271 /nfs/dbraw/zinc/24/22/71/1333242271.db2.gz YXABLTAJFNQLFP-SJORKVTESA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1C/C=C/Cl ZINC000947799618 1333264830 /nfs/dbraw/zinc/26/48/30/1333264830.db2.gz CAZMCHZKWKLUEW-PRQNKSSRSA-N 2 1 349.906 3.083 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000947853881 1333281113 /nfs/dbraw/zinc/28/11/13/1333281113.db2.gz XOVUTKHVKJOBQU-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)[C@@H](C)C1 ZINC000948044217 1333351833 /nfs/dbraw/zinc/35/18/33/1333351833.db2.gz ODIYKZXGFWKXII-QFBILLFUSA-N 2 1 344.503 3.051 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)[C@@H](C)C1 ZINC000948044217 1333351834 /nfs/dbraw/zinc/35/18/34/1333351834.db2.gz ODIYKZXGFWKXII-QFBILLFUSA-N 2 1 344.503 3.051 20 0 EGADMP Cc1c(C(=O)N(C)[C@H]2CCC[N@H+](CC(C)C)CC2)ccc2c[nH+]cn21 ZINC000948571070 1333581896 /nfs/dbraw/zinc/58/18/96/1333581896.db2.gz YNHXITZLUNLQDA-KRWDZBQOSA-N 2 1 342.487 3.225 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620844 1333599766 /nfs/dbraw/zinc/59/97/66/1333599766.db2.gz JLWCLSCQTUITPX-AEFFLSMTSA-N 2 1 342.487 3.307 20 0 EGADMP C[C@H](F)CC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620878 1333599848 /nfs/dbraw/zinc/59/98/48/1333599848.db2.gz KABXACCKPPVFSL-DOTOQJQBSA-N 2 1 346.450 3.009 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000948710961 1333642850 /nfs/dbraw/zinc/64/28/50/1333642850.db2.gz IZTXUFYJVQQFEE-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948710961 1333642852 /nfs/dbraw/zinc/64/28/52/1333642852.db2.gz IZTXUFYJVQQFEE-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000948710961 1333642855 /nfs/dbraw/zinc/64/28/55/1333642855.db2.gz IZTXUFYJVQQFEE-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000948743087 1333654779 /nfs/dbraw/zinc/65/47/79/1333654779.db2.gz OVWMDFHKDCFWEJ-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC000948775376 1333673755 /nfs/dbraw/zinc/67/37/55/1333673755.db2.gz HALVTHHEBGENES-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC000948775376 1333673756 /nfs/dbraw/zinc/67/37/56/1333673756.db2.gz HALVTHHEBGENES-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000948775376 1333673758 /nfs/dbraw/zinc/67/37/58/1333673758.db2.gz HALVTHHEBGENES-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948821081 1333698124 /nfs/dbraw/zinc/69/81/24/1333698124.db2.gz YGHVISBCZHOCKN-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948821081 1333698126 /nfs/dbraw/zinc/69/81/26/1333698126.db2.gz YGHVISBCZHOCKN-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000948828970 1333700697 /nfs/dbraw/zinc/70/06/97/1333700697.db2.gz ALDWKLAYLRZKIS-RBUKOAKNSA-N 2 1 337.552 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948851849 1333709471 /nfs/dbraw/zinc/70/94/71/1333709471.db2.gz CKODJRHPJXGPNR-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948851863 1333709518 /nfs/dbraw/zinc/70/95/18/1333709518.db2.gz COPWDXNIDQKPEB-HXUWFJFHSA-N 2 1 345.531 3.331 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000949046745 1333770166 /nfs/dbraw/zinc/77/01/66/1333770166.db2.gz TUTSTPDCYCGMIL-AZUAARDMSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000949046745 1333770168 /nfs/dbraw/zinc/77/01/68/1333770168.db2.gz TUTSTPDCYCGMIL-AZUAARDMSA-N 2 1 343.515 3.012 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C1C[NH+](CCC2CCCC2)C1 ZINC000952407679 1334450992 /nfs/dbraw/zinc/45/09/92/1334450992.db2.gz YFXTZJZEWKOQJY-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1C[NH+](CCC2CCCC2)C1 ZINC000952407678 1334451277 /nfs/dbraw/zinc/45/12/77/1334451277.db2.gz YFXTZJZEWKOQJY-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967396865 1335725507 /nfs/dbraw/zinc/72/55/07/1335725507.db2.gz IUBWRPWRAQGXSD-DNVCBOLYSA-N 2 1 342.487 3.211 20 0 EGADMP C[C@H]1CC[N@@H+](CC2CCCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968332750 1335891792 /nfs/dbraw/zinc/89/17/92/1335891792.db2.gz YLMKVOFKALVVTE-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CC2CCCCC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000968332750 1335891793 /nfs/dbraw/zinc/89/17/93/1335891793.db2.gz YLMKVOFKALVVTE-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CC2CCCCC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000968332750 1335891797 /nfs/dbraw/zinc/89/17/97/1335891797.db2.gz YLMKVOFKALVVTE-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[N@@H+](CCCC2CCC2)C[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968378682 1335910525 /nfs/dbraw/zinc/91/05/25/1335910525.db2.gz ROYCOYDMAOEDOX-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2C[N@@H+](CCC3CCCC3)CC[C@@H]2C)CC1 ZINC000968458754 1335931662 /nfs/dbraw/zinc/93/16/62/1335931662.db2.gz DUFSYMABUQGJKI-ICSRJNTNSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968683008 1336009272 /nfs/dbraw/zinc/00/92/72/1336009272.db2.gz XGZDBBWMYIQOGA-PXNSSMCTSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1CC1 ZINC000968882851 1336079052 /nfs/dbraw/zinc/07/90/52/1336079052.db2.gz VQMLTOIWWVTAQN-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CC1 ZINC000968882851 1336079054 /nfs/dbraw/zinc/07/90/54/1336079054.db2.gz VQMLTOIWWVTAQN-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CC1 ZINC000968882851 1336079058 /nfs/dbraw/zinc/07/90/58/1336079058.db2.gz VQMLTOIWWVTAQN-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CCC2CC2)C1 ZINC000968888272 1336080878 /nfs/dbraw/zinc/08/08/78/1336080878.db2.gz SBENWQCHUUHAKA-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CCC2CC2)C1 ZINC000968888272 1336080880 /nfs/dbraw/zinc/08/08/80/1336080880.db2.gz SBENWQCHUUHAKA-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CCC2CC2)C1 ZINC000968888272 1336080881 /nfs/dbraw/zinc/08/08/81/1336080881.db2.gz SBENWQCHUUHAKA-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928628 1336093000 /nfs/dbraw/zinc/09/30/00/1336093000.db2.gz QHAJUOGTFYWPGW-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000968928628 1336093001 /nfs/dbraw/zinc/09/30/01/1336093001.db2.gz QHAJUOGTFYWPGW-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC000968928628 1336093002 /nfs/dbraw/zinc/09/30/02/1336093002.db2.gz QHAJUOGTFYWPGW-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005647 1336116216 /nfs/dbraw/zinc/11/62/16/1336116216.db2.gz ZENKYJDMBVRHPH-SJLPKXTDSA-N 2 1 349.519 3.362 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005647 1336116218 /nfs/dbraw/zinc/11/62/18/1336116218.db2.gz ZENKYJDMBVRHPH-SJLPKXTDSA-N 2 1 349.519 3.362 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C[C@H]1C[NH3+] ZINC001205305928 1370714859 /nfs/dbraw/zinc/71/48/59/1370714859.db2.gz UNWCAALHCSEMQC-NWDGAFQWSA-N 2 1 336.277 3.347 20 0 EGADMP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC000969968827 1336267641 /nfs/dbraw/zinc/26/76/41/1336267641.db2.gz LACJMRSRICEOFK-LPHOPBHVSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970325840 1336294686 /nfs/dbraw/zinc/29/46/86/1336294686.db2.gz KHLQKOHPWMPEPM-QFBILLFUSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005503140 1336363065 /nfs/dbraw/zinc/36/30/65/1336363065.db2.gz IFABQWFXJMHQJE-MJGOQNOKSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001005874226 1336414065 /nfs/dbraw/zinc/41/40/65/1336414065.db2.gz WASUVFPEKXSEKO-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CC(C)C)CC1 ZINC001006279812 1336481253 /nfs/dbraw/zinc/48/12/53/1336481253.db2.gz SRORHLYXICBVOF-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H]1CC[N@H+](Cc2c(Cl)cncc2Br)CC[C@H]1C[NH3+] ZINC001205653805 1370830241 /nfs/dbraw/zinc/83/02/41/1370830241.db2.gz VSMUQOMDVDZFNF-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c(Cl)cncc2Br)CC[C@H]1C[NH3+] ZINC001205653805 1370830249 /nfs/dbraw/zinc/83/02/49/1370830249.db2.gz VSMUQOMDVDZFNF-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001006923968 1336607689 /nfs/dbraw/zinc/60/76/89/1336607689.db2.gz GRZNCMUBTWLJMO-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001006923968 1336607691 /nfs/dbraw/zinc/60/76/91/1336607691.db2.gz GRZNCMUBTWLJMO-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001006923968 1336607693 /nfs/dbraw/zinc/60/76/93/1336607693.db2.gz GRZNCMUBTWLJMO-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001007455035 1336649598 /nfs/dbraw/zinc/64/95/98/1336649598.db2.gz BUASWEWCWPDHRP-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001007455035 1336649599 /nfs/dbraw/zinc/64/95/99/1336649599.db2.gz BUASWEWCWPDHRP-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001007455035 1336649602 /nfs/dbraw/zinc/64/96/02/1336649602.db2.gz BUASWEWCWPDHRP-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001007618628 1336678184 /nfs/dbraw/zinc/67/81/84/1336678184.db2.gz KPQHKZWMIYVTBB-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007746682 1336693418 /nfs/dbraw/zinc/69/34/18/1336693418.db2.gz NZXIYTNNHVQTKQ-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001007746682 1336693420 /nfs/dbraw/zinc/69/34/20/1336693420.db2.gz NZXIYTNNHVQTKQ-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001007746682 1336693423 /nfs/dbraw/zinc/69/34/23/1336693423.db2.gz NZXIYTNNHVQTKQ-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001008343495 1336827920 /nfs/dbraw/zinc/82/79/20/1336827920.db2.gz NXIZUVLHDKBPPM-GOSISDBHSA-N 2 1 345.487 3.036 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001008343495 1336827921 /nfs/dbraw/zinc/82/79/21/1336827921.db2.gz NXIZUVLHDKBPPM-GOSISDBHSA-N 2 1 345.487 3.036 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001008529235 1336876457 /nfs/dbraw/zinc/87/64/57/1336876457.db2.gz DVBZTZQOHUVQMP-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001008529235 1336876459 /nfs/dbraw/zinc/87/64/59/1336876459.db2.gz DVBZTZQOHUVQMP-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001008529235 1336876462 /nfs/dbraw/zinc/87/64/62/1336876462.db2.gz DVBZTZQOHUVQMP-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CCC(C[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)CC1 ZINC001008554701 1336880337 /nfs/dbraw/zinc/88/03/37/1336880337.db2.gz ZPJICOWZNXQACG-CTWPCTMYSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CCC(C[NH+]2CCC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001008554701 1336880338 /nfs/dbraw/zinc/88/03/38/1336880338.db2.gz ZPJICOWZNXQACG-CTWPCTMYSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CCC(C[NH+]2CCC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001008554701 1336880340 /nfs/dbraw/zinc/88/03/40/1336880340.db2.gz ZPJICOWZNXQACG-CTWPCTMYSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CCC(C[N@H+]2CCC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001008762605 1336922702 /nfs/dbraw/zinc/92/27/02/1336922702.db2.gz VAVWRNAZIZALGZ-UUKMXZOPSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001008767991 1336923397 /nfs/dbraw/zinc/92/33/97/1336923397.db2.gz MHJOOQGVBOXCTE-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001008767991 1336923398 /nfs/dbraw/zinc/92/33/98/1336923398.db2.gz MHJOOQGVBOXCTE-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001008767991 1336923400 /nfs/dbraw/zinc/92/34/00/1336923400.db2.gz MHJOOQGVBOXCTE-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001009049013 1336960464 /nfs/dbraw/zinc/96/04/64/1336960464.db2.gz FLOPRHSZJVXYLY-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC=C(C)C)C2)o1 ZINC001009682411 1337059172 /nfs/dbraw/zinc/05/91/72/1337059172.db2.gz NNOOPMFWNPBBEM-QGZVFWFLSA-N 2 1 347.503 3.282 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014636605 1337854918 /nfs/dbraw/zinc/85/49/18/1337854918.db2.gz ZCIBJYAXYCNBLC-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001014636605 1337854923 /nfs/dbraw/zinc/85/49/23/1337854923.db2.gz ZCIBJYAXYCNBLC-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001014636605 1337854929 /nfs/dbraw/zinc/85/49/29/1337854929.db2.gz ZCIBJYAXYCNBLC-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1)[NH+]1CCCC1 ZINC001015497205 1338159938 /nfs/dbraw/zinc/15/99/38/1338159938.db2.gz BTFAUNWPUPWPEH-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001015596367 1338200435 /nfs/dbraw/zinc/20/04/35/1338200435.db2.gz BOXLDFINCLJJLM-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001015596367 1338200439 /nfs/dbraw/zinc/20/04/39/1338200439.db2.gz BOXLDFINCLJJLM-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001015596367 1338200441 /nfs/dbraw/zinc/20/04/41/1338200441.db2.gz BOXLDFINCLJJLM-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001015597187 1338201633 /nfs/dbraw/zinc/20/16/33/1338201633.db2.gz NVMASJBCRMLTBA-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001015597187 1338201637 /nfs/dbraw/zinc/20/16/37/1338201637.db2.gz NVMASJBCRMLTBA-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001015597187 1338201639 /nfs/dbraw/zinc/20/16/39/1338201639.db2.gz NVMASJBCRMLTBA-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015710780 1338270806 /nfs/dbraw/zinc/27/08/06/1338270806.db2.gz RTCPHXSNZRXSDX-MOPGFXCFSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001015710780 1338270811 /nfs/dbraw/zinc/27/08/11/1338270811.db2.gz RTCPHXSNZRXSDX-MOPGFXCFSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001015710780 1338270817 /nfs/dbraw/zinc/27/08/17/1338270817.db2.gz RTCPHXSNZRXSDX-MOPGFXCFSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001015791175 1338312729 /nfs/dbraw/zinc/31/27/29/1338312729.db2.gz BQGUIWVNCBZAPJ-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001015791175 1338312733 /nfs/dbraw/zinc/31/27/33/1338312733.db2.gz BQGUIWVNCBZAPJ-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001015791175 1338312735 /nfs/dbraw/zinc/31/27/35/1338312735.db2.gz BQGUIWVNCBZAPJ-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001015796039 1338315531 /nfs/dbraw/zinc/31/55/31/1338315531.db2.gz UZYIHMWKJFFSAP-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001015796114 1338315567 /nfs/dbraw/zinc/31/55/67/1338315567.db2.gz JNOIQJMIYBLDNK-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001015974770 1338387221 /nfs/dbraw/zinc/38/72/21/1338387221.db2.gz HVTBZXQNSTVGHX-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001015974770 1338387225 /nfs/dbraw/zinc/38/72/25/1338387225.db2.gz HVTBZXQNSTVGHX-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001015974770 1338387228 /nfs/dbraw/zinc/38/72/28/1338387228.db2.gz HVTBZXQNSTVGHX-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001016250653 1338524526 /nfs/dbraw/zinc/52/45/26/1338524526.db2.gz DYONKGXIOBAFGX-YLJYHZDGSA-N 2 1 343.515 3.157 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001016384261 1338583256 /nfs/dbraw/zinc/58/32/56/1338583256.db2.gz NVZHSJQZFNLBHA-KRWDZBQOSA-N 2 1 349.519 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016661587 1338682095 /nfs/dbraw/zinc/68/20/95/1338682095.db2.gz GOMINQGNTXNKMC-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016662559 1338682816 /nfs/dbraw/zinc/68/28/16/1338682816.db2.gz KRHMAYVYSYZDMT-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001016820513 1338738374 /nfs/dbraw/zinc/73/83/74/1338738374.db2.gz QGSSFTCFIHWHIS-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001016861136 1338750799 /nfs/dbraw/zinc/75/07/99/1338750799.db2.gz SRSSCSQRHIWFKM-IRXDYDNUSA-N 2 1 346.519 3.023 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC(C)C)CC2 ZINC001016923831 1338771731 /nfs/dbraw/zinc/77/17/31/1338771731.db2.gz NHUFCHDEWZXELW-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016924807 1338772453 /nfs/dbraw/zinc/77/24/53/1338772453.db2.gz ZWANMUYTYRFGNM-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@H](C[N@H+](C)CC3=CCCCC3)C2)CCC1 ZINC001017141818 1338893052 /nfs/dbraw/zinc/89/30/52/1338893052.db2.gz JHBTZDJRSCYLRP-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2=CCCCC2)C1)[NH+](C)C ZINC001017147473 1338896806 /nfs/dbraw/zinc/89/68/06/1338896806.db2.gz XTCHGMUALLQFNI-UXHICEINSA-N 2 1 349.563 3.243 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccc(C)cc2)C1)[NH+](C)C ZINC001017152230 1338902630 /nfs/dbraw/zinc/90/26/30/1338902630.db2.gz LUBWFFNXDJPNDJ-WOJBJXKFSA-N 2 1 345.531 3.006 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CCC2)C1 ZINC001017159649 1338908013 /nfs/dbraw/zinc/90/80/13/1338908013.db2.gz CDVYZSLDBXXVIL-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001017159649 1338908017 /nfs/dbraw/zinc/90/80/17/1338908017.db2.gz CDVYZSLDBXXVIL-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017159649 1338908020 /nfs/dbraw/zinc/90/80/20/1338908020.db2.gz CDVYZSLDBXXVIL-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1)[NH+]1CCCC1 ZINC001017265946 1338992335 /nfs/dbraw/zinc/99/23/35/1338992335.db2.gz HBXFDYYRVQFXFN-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001018306057 1339570238 /nfs/dbraw/zinc/57/02/38/1339570238.db2.gz OONSNDQODJHHPU-FFZOFVMBSA-N 2 1 343.515 3.083 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001018313836 1339572701 /nfs/dbraw/zinc/57/27/01/1339572701.db2.gz OJNLRROPONFRET-HAGHYFMRSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001018838315 1339736350 /nfs/dbraw/zinc/73/63/50/1339736350.db2.gz XOHCURYXBHWSOE-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001028088678 1340418224 /nfs/dbraw/zinc/41/82/24/1340418224.db2.gz NQAIJSDGFHBACP-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC2=CCCCC2)C1 ZINC001028088678 1340418227 /nfs/dbraw/zinc/41/82/27/1340418227.db2.gz NQAIJSDGFHBACP-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC2=CCCCC2)C1 ZINC001028088678 1340418228 /nfs/dbraw/zinc/41/82/28/1340418228.db2.gz NQAIJSDGFHBACP-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093304 1340421769 /nfs/dbraw/zinc/42/17/69/1340421769.db2.gz JTUYOMBFGSVUMH-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093304 1340421771 /nfs/dbraw/zinc/42/17/71/1340421771.db2.gz JTUYOMBFGSVUMH-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093304 1340421772 /nfs/dbraw/zinc/42/17/72/1340421772.db2.gz JTUYOMBFGSVUMH-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCC2CCCC2)CC1 ZINC001028234835 1340496534 /nfs/dbraw/zinc/49/65/34/1340496534.db2.gz IOSXBDNUTZDSMN-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001028636276 1340737873 /nfs/dbraw/zinc/73/78/73/1340737873.db2.gz NQYVLJMNJXSFPZ-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001028636276 1340737876 /nfs/dbraw/zinc/73/78/76/1340737876.db2.gz NQYVLJMNJXSFPZ-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001028636276 1340737881 /nfs/dbraw/zinc/73/78/81/1340737881.db2.gz NQYVLJMNJXSFPZ-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001028647682 1340741897 /nfs/dbraw/zinc/74/18/97/1340741897.db2.gz LQKWGINKPDPOHB-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001028647682 1340741901 /nfs/dbraw/zinc/74/19/01/1340741901.db2.gz LQKWGINKPDPOHB-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001028647682 1340741904 /nfs/dbraw/zinc/74/19/04/1340741904.db2.gz LQKWGINKPDPOHB-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001029101756 1340930321 /nfs/dbraw/zinc/93/03/21/1340930321.db2.gz MAKZJRQUVBVTNC-MBOZVWFJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1)[NH+]1CCCC1 ZINC001029418865 1340986175 /nfs/dbraw/zinc/98/61/75/1340986175.db2.gz BAMVQKMGWUWKEW-KDURUIRLSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029738757 1341059409 /nfs/dbraw/zinc/05/94/09/1341059409.db2.gz DCTPMXXEPVZCAX-PMACEKPBSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001029738757 1341059410 /nfs/dbraw/zinc/05/94/10/1341059410.db2.gz DCTPMXXEPVZCAX-PMACEKPBSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001029738757 1341059412 /nfs/dbraw/zinc/05/94/12/1341059412.db2.gz DCTPMXXEPVZCAX-PMACEKPBSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001029755013 1341064247 /nfs/dbraw/zinc/06/42/47/1341064247.db2.gz HHWATEPXMCRPBJ-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029755013 1341064248 /nfs/dbraw/zinc/06/42/48/1341064248.db2.gz HHWATEPXMCRPBJ-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029755013 1341064249 /nfs/dbraw/zinc/06/42/49/1341064249.db2.gz HHWATEPXMCRPBJ-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H](C[NH+](C)CC3CCCCC3)C2)CC[N@H+]1C ZINC001029819628 1341085483 /nfs/dbraw/zinc/08/54/83/1341085483.db2.gz OKMYJBIOUSGOHS-SXLOBPIMSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H](C[N@H+](C)CC3CCCCC3)C2)CC[NH+]1C ZINC001029819628 1341085485 /nfs/dbraw/zinc/08/54/85/1341085485.db2.gz OKMYJBIOUSGOHS-SXLOBPIMSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H](C[N@@H+](C)CC3CCCCC3)C2)CC[NH+]1C ZINC001029819628 1341085486 /nfs/dbraw/zinc/08/54/86/1341085486.db2.gz OKMYJBIOUSGOHS-SXLOBPIMSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC2CCCC2)CC1 ZINC001029969705 1341138657 /nfs/dbraw/zinc/13/86/57/1341138657.db2.gz RIMWDJGYVWZPJN-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC2CCCC2)CC1 ZINC001029969705 1341138658 /nfs/dbraw/zinc/13/86/58/1341138658.db2.gz RIMWDJGYVWZPJN-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC2CCCC2)CC1 ZINC001029969705 1341138659 /nfs/dbraw/zinc/13/86/59/1341138659.db2.gz RIMWDJGYVWZPJN-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001031584895 1341371747 /nfs/dbraw/zinc/37/17/47/1341371747.db2.gz LLEWSETVKNXBLX-OXQOHEQNSA-N 2 1 343.515 3.013 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032828611 1341628634 /nfs/dbraw/zinc/62/86/34/1341628634.db2.gz XUWBLSLQWMRYTQ-LSTHTHJFSA-N 2 1 343.515 3.156 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001032828611 1341628635 /nfs/dbraw/zinc/62/86/35/1341628635.db2.gz XUWBLSLQWMRYTQ-LSTHTHJFSA-N 2 1 343.515 3.156 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001032828611 1341628636 /nfs/dbraw/zinc/62/86/36/1341628636.db2.gz XUWBLSLQWMRYTQ-LSTHTHJFSA-N 2 1 343.515 3.156 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033144670 1341738735 /nfs/dbraw/zinc/73/87/35/1341738735.db2.gz ACYLNSCIILJZMP-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033144670 1341738736 /nfs/dbraw/zinc/73/87/36/1341738736.db2.gz ACYLNSCIILJZMP-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033144670 1341738737 /nfs/dbraw/zinc/73/87/37/1341738737.db2.gz ACYLNSCIILJZMP-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001033198726 1341750557 /nfs/dbraw/zinc/75/05/57/1341750557.db2.gz MZFHSWRIHQJCLQ-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033198726 1341750558 /nfs/dbraw/zinc/75/05/58/1341750558.db2.gz MZFHSWRIHQJCLQ-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033198726 1341750559 /nfs/dbraw/zinc/75/05/59/1341750559.db2.gz MZFHSWRIHQJCLQ-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001033353040 1341793162 /nfs/dbraw/zinc/79/31/62/1341793162.db2.gz CYXKXDDHFOCJGJ-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001033353040 1341793163 /nfs/dbraw/zinc/79/31/63/1341793163.db2.gz CYXKXDDHFOCJGJ-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001033353040 1341793165 /nfs/dbraw/zinc/79/31/65/1341793165.db2.gz CYXKXDDHFOCJGJ-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)[C@H]1CCCC[NH+]1C1CCCC1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033359684 1341795949 /nfs/dbraw/zinc/79/59/49/1341795949.db2.gz AOSLWYQZKADVME-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[C@H]1CC[NH+](CC2CCC2)C1 ZINC001033359684 1341795950 /nfs/dbraw/zinc/79/59/50/1341795950.db2.gz AOSLWYQZKADVME-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)[C@H]1CC[NH+](CC2CCC2)C1 ZINC001033359684 1341795951 /nfs/dbraw/zinc/79/59/51/1341795951.db2.gz AOSLWYQZKADVME-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033373068 1341800735 /nfs/dbraw/zinc/80/07/35/1341800735.db2.gz NTAGDMBXLARCCF-SFHVURJKSA-N 2 1 347.503 3.068 20 0 EGADMP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033373068 1341800736 /nfs/dbraw/zinc/80/07/36/1341800736.db2.gz NTAGDMBXLARCCF-SFHVURJKSA-N 2 1 347.503 3.068 20 0 EGADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001033392995 1341810506 /nfs/dbraw/zinc/81/05/06/1341810506.db2.gz CUFCJQWZSLFNTP-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001033420286 1341821810 /nfs/dbraw/zinc/82/18/10/1341821810.db2.gz NTKNUNKTSYXGJM-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001033420286 1341821811 /nfs/dbraw/zinc/82/18/11/1341821811.db2.gz NTKNUNKTSYXGJM-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001033420286 1341821812 /nfs/dbraw/zinc/82/18/12/1341821812.db2.gz NTKNUNKTSYXGJM-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033511309 1341853290 /nfs/dbraw/zinc/85/32/90/1341853290.db2.gz ZSCYHMGNUZANNY-FQEVSTJZSA-N 2 1 345.531 3.331 20 0 EGADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001033593118 1341888489 /nfs/dbraw/zinc/88/84/89/1341888489.db2.gz GDQSXMPWSLMDKF-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001033593118 1341888490 /nfs/dbraw/zinc/88/84/90/1341888490.db2.gz GDQSXMPWSLMDKF-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001033593118 1341888491 /nfs/dbraw/zinc/88/84/91/1341888491.db2.gz GDQSXMPWSLMDKF-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001033878627 1342056321 /nfs/dbraw/zinc/05/63/21/1342056321.db2.gz MNXLHBICMTWADA-SFHVURJKSA-N 2 1 340.471 3.145 20 0 EGADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033896511 1342068848 /nfs/dbraw/zinc/06/88/48/1342068848.db2.gz DRQVTFWIQGVEFH-SFHVURJKSA-N 2 1 342.487 3.307 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)CC1 ZINC001075459136 1356392853 /nfs/dbraw/zinc/39/28/53/1356392853.db2.gz ZSSFLCIOBBCXEQ-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC001075459136 1356392859 /nfs/dbraw/zinc/39/28/59/1356392859.db2.gz ZSSFLCIOBBCXEQ-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)CC1 ZINC001075459136 1356392862 /nfs/dbraw/zinc/39/28/62/1356392862.db2.gz ZSSFLCIOBBCXEQ-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](F)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034046217 1342186292 /nfs/dbraw/zinc/18/62/92/1342186292.db2.gz QSZLEABBPQUBFC-RBUKOAKNSA-N 2 1 349.494 3.033 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034132251 1342261615 /nfs/dbraw/zinc/26/16/15/1342261615.db2.gz QJJAINGXSYIOFF-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CCCCC2)C1 ZINC001034132251 1342261619 /nfs/dbraw/zinc/26/16/19/1342261619.db2.gz QJJAINGXSYIOFF-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001034132251 1342261622 /nfs/dbraw/zinc/26/16/22/1342261622.db2.gz QJJAINGXSYIOFF-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CCC3CCCCC3)C2)CC[N@H+]1C ZINC001034215377 1342322882 /nfs/dbraw/zinc/32/28/82/1342322882.db2.gz YTPIELZEDPWPQR-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001034215377 1342322886 /nfs/dbraw/zinc/32/28/86/1342322886.db2.gz YTPIELZEDPWPQR-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001034215377 1342322888 /nfs/dbraw/zinc/32/28/88/1342322888.db2.gz YTPIELZEDPWPQR-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034240132 1342341895 /nfs/dbraw/zinc/34/18/95/1342341895.db2.gz POMDEUUMYPRUKH-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001034240132 1342341898 /nfs/dbraw/zinc/34/18/98/1342341898.db2.gz POMDEUUMYPRUKH-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001034240132 1342341900 /nfs/dbraw/zinc/34/19/00/1342341900.db2.gz POMDEUUMYPRUKH-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034258291 1342351295 /nfs/dbraw/zinc/35/12/95/1342351295.db2.gz UUUBGAVMXXGHFF-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034269412 1342360342 /nfs/dbraw/zinc/36/03/42/1342360342.db2.gz DCTXUZGUHYMRRK-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034269412 1342360343 /nfs/dbraw/zinc/36/03/43/1342360343.db2.gz DCTXUZGUHYMRRK-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCCC2)C1 ZINC001034269412 1342360345 /nfs/dbraw/zinc/36/03/45/1342360345.db2.gz DCTXUZGUHYMRRK-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCCC2)C1 ZINC001034269412 1342360346 /nfs/dbraw/zinc/36/03/46/1342360346.db2.gz DCTXUZGUHYMRRK-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC2=CCCCC2)C1 ZINC001034272089 1342362584 /nfs/dbraw/zinc/36/25/84/1342362584.db2.gz RFFNSTAYJKCQDM-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2=CCCCC2)C1 ZINC001034272089 1342362589 /nfs/dbraw/zinc/36/25/89/1342362589.db2.gz RFFNSTAYJKCQDM-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2=CCCCC2)C1 ZINC001034272089 1342362590 /nfs/dbraw/zinc/36/25/90/1342362590.db2.gz RFFNSTAYJKCQDM-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP Cc1c(C(=O)N[C@H]2CCCC[N@@H+](CC3CCC3)C2)ccc2c[nH+]cn21 ZINC001034284704 1342373140 /nfs/dbraw/zinc/37/31/40/1342373140.db2.gz MOUSUNVIKCVELQ-KRWDZBQOSA-N 2 1 340.471 3.027 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034397776 1342464633 /nfs/dbraw/zinc/46/46/33/1342464633.db2.gz LKVKWJGZCITJKC-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034397776 1342464637 /nfs/dbraw/zinc/46/46/37/1342464637.db2.gz LKVKWJGZCITJKC-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034397776 1342464640 /nfs/dbraw/zinc/46/46/40/1342464640.db2.gz LKVKWJGZCITJKC-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCC2=CCCCC2)C1 ZINC001034397202 1342464782 /nfs/dbraw/zinc/46/47/82/1342464782.db2.gz JIQLAHFIHNXRHN-UYAOXDASSA-N 2 1 347.547 3.332 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](CCC2=CCCCC2)C1 ZINC001034397202 1342464786 /nfs/dbraw/zinc/46/47/86/1342464786.db2.gz JIQLAHFIHNXRHN-UYAOXDASSA-N 2 1 347.547 3.332 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](CCC2=CCCCC2)C1 ZINC001034397202 1342464791 /nfs/dbraw/zinc/46/47/91/1342464791.db2.gz JIQLAHFIHNXRHN-UYAOXDASSA-N 2 1 347.547 3.332 20 0 EGADMP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426409 1342488339 /nfs/dbraw/zinc/48/83/39/1342488339.db2.gz MBKXCPZGNWYMKG-SFHVURJKSA-N 2 1 348.535 3.413 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426409 1342488344 /nfs/dbraw/zinc/48/83/44/1342488344.db2.gz MBKXCPZGNWYMKG-SFHVURJKSA-N 2 1 348.535 3.413 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034432907 1342495023 /nfs/dbraw/zinc/49/50/23/1342495023.db2.gz AASRUUFAYVBDNC-OALUTQOASA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034432907 1342495025 /nfs/dbraw/zinc/49/50/25/1342495025.db2.gz AASRUUFAYVBDNC-OALUTQOASA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034432907 1342495026 /nfs/dbraw/zinc/49/50/26/1342495026.db2.gz AASRUUFAYVBDNC-OALUTQOASA-N 2 1 335.536 3.186 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034537492 1342595196 /nfs/dbraw/zinc/59/51/96/1342595196.db2.gz CFLINYOBHRXZPB-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2=CCCCC2)C1 ZINC001034537492 1342595198 /nfs/dbraw/zinc/59/51/98/1342595198.db2.gz CFLINYOBHRXZPB-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2=CCCCC2)C1 ZINC001034537492 1342595202 /nfs/dbraw/zinc/59/52/02/1342595202.db2.gz CFLINYOBHRXZPB-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC001034643005 1342668262 /nfs/dbraw/zinc/66/82/62/1342668262.db2.gz MOAFZWHMWPGCHE-GUDVDZBRSA-N 2 1 349.563 3.312 20 0 EGADMP CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001034715495 1342710555 /nfs/dbraw/zinc/71/05/55/1342710555.db2.gz MMBABIPWICXBTH-LNLFQRSKSA-N 2 1 335.536 3.211 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001034736655 1342729201 /nfs/dbraw/zinc/72/92/01/1342729201.db2.gz ZOBSCQGKUDYGLI-IHPCNDPISA-N 2 1 349.563 3.458 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCC3)CC2)C1 ZINC001034736661 1342729339 /nfs/dbraw/zinc/72/93/39/1342729339.db2.gz ZQWCMJJPJXHKET-WGSAOQKQSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034980414 1342863174 /nfs/dbraw/zinc/86/31/74/1342863174.db2.gz VJUCVSRFRQHSNJ-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001035022386 1342881292 /nfs/dbraw/zinc/88/12/92/1342881292.db2.gz CHCGRXBNKJBJCD-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CC[C@@H](C(=O)N1CCC2(CC[N@@H+](CCC3CCCC3)C2)CC1)[NH+](C)C ZINC001035229591 1343050225 /nfs/dbraw/zinc/05/02/25/1343050225.db2.gz SUTMQVDWQFGFLE-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC2(C1)CCN(C(=O)c1ccccc1C[NH+](C)C)CC2 ZINC001035257923 1343084671 /nfs/dbraw/zinc/08/46/71/1343084671.db2.gz AYIPDVQWMLYJTB-UHFFFAOYSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035260535 1343088132 /nfs/dbraw/zinc/08/81/32/1343088132.db2.gz YTKFTHHNKPBMBV-IBGZPJMESA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CCC2(C1)CCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035260535 1343088135 /nfs/dbraw/zinc/08/81/35/1343088135.db2.gz YTKFTHHNKPBMBV-IBGZPJMESA-N 2 1 343.515 3.012 20 0 EGADMP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1CC)CC2 ZINC001035858188 1343234473 /nfs/dbraw/zinc/23/44/73/1343234473.db2.gz PWZMYDQGUKIHJO-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036717091 1343649448 /nfs/dbraw/zinc/64/94/48/1343649448.db2.gz PRRIFKYQVLGTJZ-MOPGFXCFSA-N 2 1 347.547 3.140 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902517 1343848927 /nfs/dbraw/zinc/84/89/27/1343848927.db2.gz LQPYYWZIZHHPMJ-VQTJNVASSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001037087079 1343972157 /nfs/dbraw/zinc/97/21/57/1343972157.db2.gz POVXGGHSPSHYAP-MSOLQXFVSA-N 2 1 346.519 3.071 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CC1CCCCCC1)C12CCC[NH+](CCC1)C2 ZINC001038407768 1344414607 /nfs/dbraw/zinc/41/46/07/1344414607.db2.gz ZLOVRAIONMEREO-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CCC1CCCCC1)c1ccn2c[nH+]cc2c1 ZINC001038461009 1344433795 /nfs/dbraw/zinc/43/37/95/1344433795.db2.gz BNVFJJLIRDQVMR-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CCC1CCCCC1)c1ccn2c[nH+]cc2c1 ZINC001038461011 1344434535 /nfs/dbraw/zinc/43/45/35/1344434535.db2.gz BNVFJJLIRDQVMR-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+]2CC2CCCCCC2)C1 ZINC001038621657 1344508149 /nfs/dbraw/zinc/50/81/49/1344508149.db2.gz GHOBFTMPYXNUIF-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CC2CCCCCC2)C1 ZINC001038621657 1344508151 /nfs/dbraw/zinc/50/81/51/1344508151.db2.gz GHOBFTMPYXNUIF-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CC2CCCCCC2)C1 ZINC001038621657 1344508154 /nfs/dbraw/zinc/50/81/54/1344508154.db2.gz GHOBFTMPYXNUIF-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+]2CC2CCC(C)(C)CC2)CC[N@H+]1C ZINC001038629585 1344511837 /nfs/dbraw/zinc/51/18/37/1344511837.db2.gz IMACFUGHIQYIGK-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CC2CCC(C)(C)CC2)CC[NH+]1C ZINC001038629585 1344511842 /nfs/dbraw/zinc/51/18/42/1344511842.db2.gz IMACFUGHIQYIGK-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CC2CCC(C)(C)CC2)CC[NH+]1C ZINC001038629585 1344511846 /nfs/dbraw/zinc/51/18/46/1344511846.db2.gz IMACFUGHIQYIGK-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001038908382 1344646074 /nfs/dbraw/zinc/64/60/74/1344646074.db2.gz JGGYUWWHASZJAD-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001038908382 1344646076 /nfs/dbraw/zinc/64/60/76/1344646076.db2.gz JGGYUWWHASZJAD-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001038908382 1344646080 /nfs/dbraw/zinc/64/60/80/1344646080.db2.gz JGGYUWWHASZJAD-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001039046658 1344733123 /nfs/dbraw/zinc/73/31/23/1344733123.db2.gz AKLBMDQHWCFCCB-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001039046658 1344733125 /nfs/dbraw/zinc/73/31/25/1344733125.db2.gz AKLBMDQHWCFCCB-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCCC1CCCC1 ZINC001039046658 1344733128 /nfs/dbraw/zinc/73/31/28/1344733128.db2.gz AKLBMDQHWCFCCB-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@H]2CC[NH+](CC)C2)CC1 ZINC001039185729 1344885317 /nfs/dbraw/zinc/88/53/17/1344885317.db2.gz WDXLQKYUGIVAFW-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@H+](CC)C2)CC1 ZINC001039185729 1344885322 /nfs/dbraw/zinc/88/53/22/1344885322.db2.gz WDXLQKYUGIVAFW-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CC)C2)CC1 ZINC001039185729 1344885330 /nfs/dbraw/zinc/88/53/30/1344885330.db2.gz WDXLQKYUGIVAFW-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001039387163 1345039397 /nfs/dbraw/zinc/03/93/97/1345039397.db2.gz VVRVIQUZJRWCEX-HSALFYBXSA-N 2 1 347.547 3.259 20 0 EGADMP CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001039387163 1345039399 /nfs/dbraw/zinc/03/93/99/1345039399.db2.gz VVRVIQUZJRWCEX-HSALFYBXSA-N 2 1 347.547 3.259 20 0 EGADMP CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001039387163 1345039401 /nfs/dbraw/zinc/03/94/01/1345039401.db2.gz VVRVIQUZJRWCEX-HSALFYBXSA-N 2 1 347.547 3.259 20 0 EGADMP CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040349129 1345447339 /nfs/dbraw/zinc/44/73/39/1345447339.db2.gz VGUALUWYJUXYHY-TZIWHRDSSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040349129 1345447341 /nfs/dbraw/zinc/44/73/41/1345447341.db2.gz VGUALUWYJUXYHY-TZIWHRDSSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040349129 1345447342 /nfs/dbraw/zinc/44/73/42/1345447342.db2.gz VGUALUWYJUXYHY-TZIWHRDSSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC001040726601 1345571515 /nfs/dbraw/zinc/57/15/15/1345571515.db2.gz LXCJVHXXXAYUQE-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041275527 1345691950 /nfs/dbraw/zinc/69/19/50/1345691950.db2.gz DYNWEHCRHJUSHV-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041275527 1345691952 /nfs/dbraw/zinc/69/19/52/1345691952.db2.gz DYNWEHCRHJUSHV-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041275527 1345691953 /nfs/dbraw/zinc/69/19/53/1345691953.db2.gz DYNWEHCRHJUSHV-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCCC3CCC3)C2)C1)[NH+](C)C ZINC001041644494 1345808745 /nfs/dbraw/zinc/80/87/45/1345808745.db2.gz DUJQUIYWAKWSCW-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041722865 1345832478 /nfs/dbraw/zinc/83/24/78/1345832478.db2.gz BSNBRJVVBYEAKD-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041722865 1345832479 /nfs/dbraw/zinc/83/24/79/1345832479.db2.gz BSNBRJVVBYEAKD-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041722865 1345832480 /nfs/dbraw/zinc/83/24/80/1345832480.db2.gz BSNBRJVVBYEAKD-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042125638 1345950854 /nfs/dbraw/zinc/95/08/54/1345950854.db2.gz VZIBQXMBKAENOH-HKUYNNGSSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125638 1345950855 /nfs/dbraw/zinc/95/08/55/1345950855.db2.gz VZIBQXMBKAENOH-HKUYNNGSSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125638 1345950856 /nfs/dbraw/zinc/95/08/56/1345950856.db2.gz VZIBQXMBKAENOH-HKUYNNGSSA-N 2 1 349.563 3.218 20 0 EGADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3CC[N@@H+](CCC(C)(C)C)[C@@H]3C2)CC1 ZINC001042257014 1346007825 /nfs/dbraw/zinc/00/78/25/1346007825.db2.gz CKKPCOYTKSBLTN-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044627603 1346386479 /nfs/dbraw/zinc/38/64/79/1346386479.db2.gz ASYLIKZWJQAWHW-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)cs1 ZINC001045034234 1346483670 /nfs/dbraw/zinc/48/36/70/1346483670.db2.gz KKHVRMOMXROUAT-ZWKOTPCHSA-N 2 1 349.544 3.010 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001045076450 1346490619 /nfs/dbraw/zinc/49/06/19/1346490619.db2.gz TYMYGRZMGXFNPS-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045200667 1346529301 /nfs/dbraw/zinc/52/93/01/1346529301.db2.gz LCSVEUPBTODCPM-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001045438107 1346594004 /nfs/dbraw/zinc/59/40/04/1346594004.db2.gz JNQZZQMWKDEGTA-IBGZPJMESA-N 2 1 343.515 3.030 20 0 EGADMP CCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001045441665 1346594415 /nfs/dbraw/zinc/59/44/15/1346594415.db2.gz IQCAYDFWYGJCDG-GOSISDBHSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1)[NH+](C)C ZINC001045842032 1346717544 /nfs/dbraw/zinc/71/75/44/1346717544.db2.gz SPLKTJZEELEKNJ-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921179 1346758883 /nfs/dbraw/zinc/75/88/83/1346758883.db2.gz HDUGPRZMTJRUDE-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001045921179 1346758886 /nfs/dbraw/zinc/75/88/86/1346758886.db2.gz HDUGPRZMTJRUDE-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001045921179 1346758887 /nfs/dbraw/zinc/75/88/87/1346758887.db2.gz HDUGPRZMTJRUDE-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045944781 1346780942 /nfs/dbraw/zinc/78/09/42/1346780942.db2.gz IFHQEUYUVAFEJE-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001045944781 1346780943 /nfs/dbraw/zinc/78/09/43/1346780943.db2.gz IFHQEUYUVAFEJE-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001045944781 1346780946 /nfs/dbraw/zinc/78/09/46/1346780946.db2.gz IFHQEUYUVAFEJE-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045975510 1346811805 /nfs/dbraw/zinc/81/18/05/1346811805.db2.gz CWOKMVZKFYPADP-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045982486 1346821642 /nfs/dbraw/zinc/82/16/42/1346821642.db2.gz AKELMTQPNIZBHQ-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001046315631 1346931351 /nfs/dbraw/zinc/93/13/51/1346931351.db2.gz KQEQDYMKMFIYOP-ICSRJNTNSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001046315631 1346931354 /nfs/dbraw/zinc/93/13/54/1346931354.db2.gz KQEQDYMKMFIYOP-ICSRJNTNSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001046315631 1346931356 /nfs/dbraw/zinc/93/13/56/1346931356.db2.gz KQEQDYMKMFIYOP-ICSRJNTNSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CCC2CCCCC2)C1 ZINC001046316727 1346932138 /nfs/dbraw/zinc/93/21/38/1346932138.db2.gz QGZOMOVLKALRSR-CTNGQTDRSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CCC2CCCCC2)C1 ZINC001046316727 1346932142 /nfs/dbraw/zinc/93/21/42/1346932142.db2.gz QGZOMOVLKALRSR-CTNGQTDRSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCC2CCCCC2)C1 ZINC001046316727 1346932145 /nfs/dbraw/zinc/93/21/45/1346932145.db2.gz QGZOMOVLKALRSR-CTNGQTDRSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CC2CCCCC2)C1 ZINC001046316371 1346932239 /nfs/dbraw/zinc/93/22/39/1346932239.db2.gz PFILETUHEMVOKV-UYAOXDASSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CC2CCCCC2)C1 ZINC001046316371 1346932240 /nfs/dbraw/zinc/93/22/40/1346932240.db2.gz PFILETUHEMVOKV-UYAOXDASSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CC2CCCCC2)C1 ZINC001046316371 1346932241 /nfs/dbraw/zinc/93/22/41/1346932241.db2.gz PFILETUHEMVOKV-UYAOXDASSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@]2(C)CC[NH+](CC3CCCCC3)C2)C1 ZINC001046561445 1347017512 /nfs/dbraw/zinc/01/75/12/1347017512.db2.gz GURSDQPLFZLHGF-PZJWPPBQSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@]2(C)CC[N@H+](CC3CCCCC3)C2)C1 ZINC001046561445 1347017513 /nfs/dbraw/zinc/01/75/13/1347017513.db2.gz GURSDQPLFZLHGF-PZJWPPBQSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@]2(C)CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001046561445 1347017514 /nfs/dbraw/zinc/01/75/14/1347017514.db2.gz GURSDQPLFZLHGF-PZJWPPBQSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@]2(C)CC[NH+](CCCC3CCC3)C2)C1 ZINC001046562322 1347018108 /nfs/dbraw/zinc/01/81/08/1347018108.db2.gz MJFPXDJRSLLIKL-PZJWPPBQSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@]2(C)CC[N@H+](CCCC3CCC3)C2)C1 ZINC001046562322 1347018110 /nfs/dbraw/zinc/01/81/10/1347018110.db2.gz MJFPXDJRSLLIKL-PZJWPPBQSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001046562322 1347018114 /nfs/dbraw/zinc/01/81/14/1347018114.db2.gz MJFPXDJRSLLIKL-PZJWPPBQSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCC3CCCC3)C2)C1 ZINC001046561993 1347018295 /nfs/dbraw/zinc/01/82/95/1347018295.db2.gz LCENLLJFMKBVDT-CTNGQTDRSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCC3CCCC3)C2)C1 ZINC001046561993 1347018296 /nfs/dbraw/zinc/01/82/96/1347018296.db2.gz LCENLLJFMKBVDT-CTNGQTDRSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001046561993 1347018297 /nfs/dbraw/zinc/01/82/97/1347018297.db2.gz LCENLLJFMKBVDT-CTNGQTDRSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046739860 1347078067 /nfs/dbraw/zinc/07/80/67/1347078067.db2.gz XGNXHAINPFMIKI-FQEVSTJZSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047971203 1347429244 /nfs/dbraw/zinc/42/92/44/1347429244.db2.gz CIEUWWRGFDJDNG-PKOBYXMFSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC2CCCC2)C1 ZINC001047991654 1347436407 /nfs/dbraw/zinc/43/64/07/1347436407.db2.gz GUABANJVYMPHBM-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001048537483 1347583440 /nfs/dbraw/zinc/58/34/40/1347583440.db2.gz CEYDPQVLGKLRGP-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001048537483 1347583441 /nfs/dbraw/zinc/58/34/41/1347583441.db2.gz CEYDPQVLGKLRGP-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001048537483 1347583443 /nfs/dbraw/zinc/58/34/43/1347583443.db2.gz CEYDPQVLGKLRGP-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001048539266 1347583912 /nfs/dbraw/zinc/58/39/12/1347583912.db2.gz MMTXQMBQUDOBTG-IYWMVGAKSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001048539266 1347583914 /nfs/dbraw/zinc/58/39/14/1347583914.db2.gz MMTXQMBQUDOBTG-IYWMVGAKSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001048539266 1347583916 /nfs/dbraw/zinc/58/39/16/1347583916.db2.gz MMTXQMBQUDOBTG-IYWMVGAKSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC)o1 ZINC001048592272 1347610650 /nfs/dbraw/zinc/61/06/50/1347610650.db2.gz UCDNTJQZSXBPDB-BJWYYQGGSA-N 2 1 347.503 3.114 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097792 1347724663 /nfs/dbraw/zinc/72/46/63/1347724663.db2.gz TYVPQVRXFLRXQY-ZCNNSNEGSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001049097792 1347724665 /nfs/dbraw/zinc/72/46/65/1347724665.db2.gz TYVPQVRXFLRXQY-ZCNNSNEGSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001049097792 1347724666 /nfs/dbraw/zinc/72/46/66/1347724666.db2.gz TYVPQVRXFLRXQY-ZCNNSNEGSA-N 2 1 349.563 3.076 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC1=CCCCC1 ZINC001049370510 1347808517 /nfs/dbraw/zinc/80/85/17/1347808517.db2.gz VYBQTEZKAXDCHY-SLFFLAALSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1=CCCCC1 ZINC001049370510 1347808521 /nfs/dbraw/zinc/80/85/21/1347808521.db2.gz VYBQTEZKAXDCHY-SLFFLAALSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1=CCCCC1 ZINC001049370510 1347808524 /nfs/dbraw/zinc/80/85/24/1347808524.db2.gz VYBQTEZKAXDCHY-SLFFLAALSA-N 2 1 345.531 3.036 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049462688 1347860919 /nfs/dbraw/zinc/86/09/19/1347860919.db2.gz ABKDJLVQFTTYHU-AQNXPRMDSA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001049462688 1347860920 /nfs/dbraw/zinc/86/09/20/1347860920.db2.gz ABKDJLVQFTTYHU-AQNXPRMDSA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001049462688 1347860922 /nfs/dbraw/zinc/86/09/22/1347860922.db2.gz ABKDJLVQFTTYHU-AQNXPRMDSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514390 1347886425 /nfs/dbraw/zinc/88/64/25/1347886425.db2.gz DLOTWSJPTDNALO-SLFFLAALSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001049514390 1347886429 /nfs/dbraw/zinc/88/64/29/1347886429.db2.gz DLOTWSJPTDNALO-SLFFLAALSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514390 1347886433 /nfs/dbraw/zinc/88/64/33/1347886433.db2.gz DLOTWSJPTDNALO-SLFFLAALSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568432 1347914598 /nfs/dbraw/zinc/91/45/98/1347914598.db2.gz UETPNMPZMWHQGV-QZTJIDSGSA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049672387 1347966444 /nfs/dbraw/zinc/96/64/44/1347966444.db2.gz SJJVMXAGYONRMI-FFGOWVMKSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049672387 1347966446 /nfs/dbraw/zinc/96/64/46/1347966446.db2.gz SJJVMXAGYONRMI-FFGOWVMKSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049672387 1347966447 /nfs/dbraw/zinc/96/64/47/1347966447.db2.gz SJJVMXAGYONRMI-FFGOWVMKSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1=CCCCC1 ZINC001049725174 1347991020 /nfs/dbraw/zinc/99/10/20/1347991020.db2.gz VRAMZOGZPXIVNN-MISYRCLQSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1=CCCCC1 ZINC001049725174 1347991022 /nfs/dbraw/zinc/99/10/22/1347991022.db2.gz VRAMZOGZPXIVNN-MISYRCLQSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1=CCCCC1 ZINC001049725174 1347991024 /nfs/dbraw/zinc/99/10/24/1347991024.db2.gz VRAMZOGZPXIVNN-MISYRCLQSA-N 2 1 345.531 3.036 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CCCCC1)[NH+](C)C ZINC001049726667 1347991652 /nfs/dbraw/zinc/99/16/52/1347991652.db2.gz GGXPOPZCZZXZJC-ZCNNSNEGSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049913966 1348108801 /nfs/dbraw/zinc/10/88/01/1348108801.db2.gz KZBYKAQOTQKJKK-AQNXPRMDSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001050252428 1348218913 /nfs/dbraw/zinc/21/89/13/1348218913.db2.gz KDBXNGCEOZTNSX-PMACEKPBSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001050252428 1348218916 /nfs/dbraw/zinc/21/89/16/1348218916.db2.gz KDBXNGCEOZTNSX-PMACEKPBSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001050252428 1348218918 /nfs/dbraw/zinc/21/89/18/1348218918.db2.gz KDBXNGCEOZTNSX-PMACEKPBSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001050325978 1348228205 /nfs/dbraw/zinc/22/82/05/1348228205.db2.gz PVVADKXSPQPGHD-UFYCRDLUSA-N 2 1 349.563 3.314 20 0 EGADMP CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001050357102 1348236712 /nfs/dbraw/zinc/23/67/12/1348236712.db2.gz KWYNMAHSTLEQMO-ZHALLVOQSA-N 2 1 335.536 3.068 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001050390803 1348248283 /nfs/dbraw/zinc/24/82/83/1348248283.db2.gz SPDLZLYHNAQRSZ-WGSAOQKQSA-N 2 1 346.519 3.036 20 0 EGADMP CC(C)CC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001050543873 1348286962 /nfs/dbraw/zinc/28/69/62/1348286962.db2.gz MSYUUFCLUIMSQH-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001050687074 1348327560 /nfs/dbraw/zinc/32/75/60/1348327560.db2.gz GAFDIGMHGFQDEG-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447472 1348543487 /nfs/dbraw/zinc/54/34/87/1348543487.db2.gz FLHZYQMMFDAYRP-QUCCMNQESA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052447472 1348543488 /nfs/dbraw/zinc/54/34/88/1348543488.db2.gz FLHZYQMMFDAYRP-QUCCMNQESA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052447472 1348543490 /nfs/dbraw/zinc/54/34/90/1348543490.db2.gz FLHZYQMMFDAYRP-QUCCMNQESA-N 2 1 347.547 3.330 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001052499154 1348559656 /nfs/dbraw/zinc/55/96/56/1348559656.db2.gz OTAHAYHHFZJCRW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001052499154 1348559657 /nfs/dbraw/zinc/55/96/57/1348559657.db2.gz OTAHAYHHFZJCRW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001052499154 1348559658 /nfs/dbraw/zinc/55/96/58/1348559658.db2.gz OTAHAYHHFZJCRW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1)c1ccn2c[nH+]cc2c1 ZINC001052529331 1348567208 /nfs/dbraw/zinc/56/72/08/1348567208.db2.gz PWLMJTSKUSCNQZ-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052651889 1348614253 /nfs/dbraw/zinc/61/42/53/1348614253.db2.gz OLKHNGVFDVJNIG-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052651889 1348614256 /nfs/dbraw/zinc/61/42/56/1348614256.db2.gz OLKHNGVFDVJNIG-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052651889 1348614258 /nfs/dbraw/zinc/61/42/58/1348614258.db2.gz OLKHNGVFDVJNIG-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001052717075 1348646515 /nfs/dbraw/zinc/64/65/15/1348646515.db2.gz SJJFZARBRPQWTB-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC001052717075 1348646518 /nfs/dbraw/zinc/64/65/18/1348646518.db2.gz SJJFZARBRPQWTB-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC001052717075 1348646521 /nfs/dbraw/zinc/64/65/21/1348646521.db2.gz SJJFZARBRPQWTB-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857668 1348704379 /nfs/dbraw/zinc/70/43/79/1348704379.db2.gz REHHDKZWOLMUQU-FQEVSTJZSA-N 2 1 347.547 3.045 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CC2)CC1 ZINC001052859460 1348705170 /nfs/dbraw/zinc/70/51/70/1348705170.db2.gz MDMOIZZVPWLNII-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC2)CC1 ZINC001052859460 1348705174 /nfs/dbraw/zinc/70/51/74/1348705174.db2.gz MDMOIZZVPWLNII-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC2)CC1 ZINC001052859460 1348705175 /nfs/dbraw/zinc/70/51/75/1348705175.db2.gz MDMOIZZVPWLNII-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052958352 1348772082 /nfs/dbraw/zinc/77/20/82/1348772082.db2.gz MAAJJQFZFWHNRW-LJQANCHMSA-N 2 1 343.515 3.299 20 0 EGADMP CC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCC(C)C)CC1 ZINC001052985959 1348789274 /nfs/dbraw/zinc/78/92/74/1348789274.db2.gz BKFDNRWDLLLORZ-YSIASYRMSA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142496 1349152886 /nfs/dbraw/zinc/15/28/86/1349152886.db2.gz CZDZEJALNWVKAX-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054142496 1349152888 /nfs/dbraw/zinc/15/28/88/1349152888.db2.gz CZDZEJALNWVKAX-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054142496 1349152893 /nfs/dbraw/zinc/15/28/93/1349152893.db2.gz CZDZEJALNWVKAX-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174427 1349175437 /nfs/dbraw/zinc/17/54/37/1349175437.db2.gz OZHGRJCAECQDST-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054195721 1349198892 /nfs/dbraw/zinc/19/88/92/1349198892.db2.gz BUQYOTICGXXLHA-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001054195721 1349198893 /nfs/dbraw/zinc/19/88/93/1349198893.db2.gz BUQYOTICGXXLHA-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001054195721 1349198898 /nfs/dbraw/zinc/19/88/98/1349198898.db2.gz BUQYOTICGXXLHA-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC3CCCCC3)C2)C1)[NH+](C)C ZINC001054198776 1349200134 /nfs/dbraw/zinc/20/01/34/1349200134.db2.gz GUUZMNSWXUVLEZ-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054223274 1349218499 /nfs/dbraw/zinc/21/84/99/1349218499.db2.gz RVXBOZIICSTPQJ-NRFANRHFSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3CCC)cc2C1 ZINC001054267391 1349264464 /nfs/dbraw/zinc/26/44/64/1349264464.db2.gz RJVNRFGKPZQHDS-FQEVSTJZSA-N 2 1 343.515 3.293 20 0 EGADMP CCCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)cc2C1 ZINC001054267391 1349264468 /nfs/dbraw/zinc/26/44/68/1349264468.db2.gz RJVNRFGKPZQHDS-FQEVSTJZSA-N 2 1 343.515 3.293 20 0 EGADMP CCCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3CCC)cc2C1 ZINC001054267391 1349264469 /nfs/dbraw/zinc/26/44/69/1349264469.db2.gz RJVNRFGKPZQHDS-FQEVSTJZSA-N 2 1 343.515 3.293 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc2c(c1)C[NH+](CC(C)C)C2 ZINC001054292543 1349297859 /nfs/dbraw/zinc/29/78/59/1349297859.db2.gz KWNQUWBDKIOFNB-HXUWFJFHSA-N 2 1 343.515 3.149 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](CC(C)C)C2 ZINC001054292543 1349297860 /nfs/dbraw/zinc/29/78/60/1349297860.db2.gz KWNQUWBDKIOFNB-HXUWFJFHSA-N 2 1 343.515 3.149 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCc1ccc2c(c1)C[N@H+](CC(C)C)C2 ZINC001054292543 1349297862 /nfs/dbraw/zinc/29/78/62/1349297862.db2.gz KWNQUWBDKIOFNB-HXUWFJFHSA-N 2 1 343.515 3.149 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NCc2ccc3c(c2)C[NH+](CCC(C)(C)C)C3)C1 ZINC001054292236 1349298731 /nfs/dbraw/zinc/29/87/31/1349298731.db2.gz WIVRKDUBIGHRQJ-SFHVURJKSA-N 2 1 343.515 3.006 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NCc2ccc3c(c2)C[N@@H+](CCC(C)(C)C)C3)C1 ZINC001054292236 1349298737 /nfs/dbraw/zinc/29/87/37/1349298737.db2.gz WIVRKDUBIGHRQJ-SFHVURJKSA-N 2 1 343.515 3.006 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NCc2ccc3c(c2)C[N@H+](CCC(C)(C)C)C3)C1 ZINC001054292236 1349298739 /nfs/dbraw/zinc/29/87/39/1349298739.db2.gz WIVRKDUBIGHRQJ-SFHVURJKSA-N 2 1 343.515 3.006 20 0 EGADMP C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1[NH2+]CC1CCCC1 ZINC001054823358 1349479410 /nfs/dbraw/zinc/47/94/10/1349479410.db2.gz LHANSDPMYPMBFJ-APWZRJJASA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCCC3)C[C@H]2C)C1 ZINC001080310787 1357569213 /nfs/dbraw/zinc/56/92/13/1357569213.db2.gz FAUSNAYLPBOCOH-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CCCC3)C[C@H]2C)C1 ZINC001080310787 1357569218 /nfs/dbraw/zinc/56/92/18/1357569218.db2.gz FAUSNAYLPBOCOH-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCCC3)C[C@H]2C)C1 ZINC001080310787 1357569224 /nfs/dbraw/zinc/56/92/24/1357569224.db2.gz FAUSNAYLPBOCOH-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CCC(C)(C)C ZINC001071646159 1354824365 /nfs/dbraw/zinc/82/43/65/1354824365.db2.gz SNLDPTRBDFBCED-DLBZAZTESA-N 2 1 335.536 3.020 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001071689863 1354854147 /nfs/dbraw/zinc/85/41/47/1354854147.db2.gz QPEVAVFAYUGDQE-APWZRJJASA-N 2 1 344.503 3.051 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001071689863 1354854151 /nfs/dbraw/zinc/85/41/51/1354854151.db2.gz QPEVAVFAYUGDQE-APWZRJJASA-N 2 1 344.503 3.051 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CC1=CCCCC1 ZINC001071821288 1354960864 /nfs/dbraw/zinc/96/08/64/1354960864.db2.gz MEOLKTLSNGOGFY-IEBWSBKVSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CC1=CCCCC1 ZINC001071821288 1354960868 /nfs/dbraw/zinc/96/08/68/1354960868.db2.gz MEOLKTLSNGOGFY-IEBWSBKVSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CC1=CCCCC1 ZINC001071821288 1354960872 /nfs/dbraw/zinc/96/08/72/1354960872.db2.gz MEOLKTLSNGOGFY-IEBWSBKVSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183165166 1387270812 /nfs/dbraw/zinc/27/08/12/1387270812.db2.gz QDQWRPKNECDTRP-VWICVCDTSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071895971 1355011225 /nfs/dbraw/zinc/01/12/25/1355011225.db2.gz CRVUZEARPDSFCR-PXNSSMCTSA-N 2 1 343.515 3.297 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[N@H+]1CC1CCCCCC1 ZINC001071996260 1355065689 /nfs/dbraw/zinc/06/56/89/1355065689.db2.gz PRHKOZXPQVLDEL-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC3CC3)C2)o1 ZINC001072109577 1355137005 /nfs/dbraw/zinc/13/70/05/1355137005.db2.gz JHSLWRDJRPABJQ-RDJZCZTQSA-N 2 1 347.503 3.114 20 0 EGADMP C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C[NH2+]CC1CC1 ZINC001072309249 1355231730 /nfs/dbraw/zinc/23/17/30/1355231730.db2.gz GBLFLHZVJFEXPP-AEFFLSMTSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001072734378 1355416945 /nfs/dbraw/zinc/41/69/45/1355416945.db2.gz GGQIJHXIDQXGKW-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CC)C2 ZINC001073116346 1355605578 /nfs/dbraw/zinc/60/55/78/1355605578.db2.gz LYLVQRDJPPMBPN-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)CC)C2 ZINC001073116346 1355605581 /nfs/dbraw/zinc/60/55/81/1355605581.db2.gz LYLVQRDJPPMBPN-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)CC)C2 ZINC001073116346 1355605584 /nfs/dbraw/zinc/60/55/84/1355605584.db2.gz LYLVQRDJPPMBPN-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073460666 1355794474 /nfs/dbraw/zinc/79/44/74/1355794474.db2.gz GXZAXPYCUNVIOJ-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CCc3ncc[nH]3)CC2)CC1 ZINC001075451414 1356385959 /nfs/dbraw/zinc/38/59/59/1356385959.db2.gz SWDPQKHOWSJIOQ-KRWDZBQOSA-N 2 1 346.519 3.093 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461539 1356394906 /nfs/dbraw/zinc/39/49/06/1356394906.db2.gz KQCANQJXTVCDGQ-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461539 1356394909 /nfs/dbraw/zinc/39/49/09/1356394909.db2.gz KQCANQJXTVCDGQ-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461539 1356394914 /nfs/dbraw/zinc/39/49/14/1356394914.db2.gz KQCANQJXTVCDGQ-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001099257602 1363717632 /nfs/dbraw/zinc/71/76/32/1363717632.db2.gz IVZSDGAJFYEZPU-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001099257602 1363717639 /nfs/dbraw/zinc/71/76/39/1363717639.db2.gz IVZSDGAJFYEZPU-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC(C)(C)C ZINC001099315121 1363745663 /nfs/dbraw/zinc/74/56/63/1363745663.db2.gz BBFUMDORQNUYDN-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C ZINC001099315121 1363745667 /nfs/dbraw/zinc/74/56/67/1363745667.db2.gz BBFUMDORQNUYDN-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C ZINC001099315121 1363745671 /nfs/dbraw/zinc/74/56/71/1363745671.db2.gz BBFUMDORQNUYDN-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001082558341 1358057181 /nfs/dbraw/zinc/05/71/81/1358057181.db2.gz LGVQKHJKALXOJC-MISYRCLQSA-N 2 1 347.547 3.186 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CC1CCCCCC1 ZINC001082705427 1358078477 /nfs/dbraw/zinc/07/84/77/1358078477.db2.gz BZEMNQPYXXAEAL-LCLWPZTBSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085016770 1358367570 /nfs/dbraw/zinc/36/75/70/1358367570.db2.gz LSIJHKVFSFCZJX-RNQOJCNYSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085016770 1358367571 /nfs/dbraw/zinc/36/75/71/1358367571.db2.gz LSIJHKVFSFCZJX-RNQOJCNYSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085016770 1358367573 /nfs/dbraw/zinc/36/75/73/1358367573.db2.gz LSIJHKVFSFCZJX-RNQOJCNYSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCC(C)(C)C)[C@H]3C2)CC[N@H+]1C ZINC001085016856 1358367856 /nfs/dbraw/zinc/36/78/56/1358367856.db2.gz RKHOZIIVCOOVQJ-RDGPPVDQSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCC(C)(C)C)[C@H]3C2)CC[NH+]1C ZINC001085016856 1358367860 /nfs/dbraw/zinc/36/78/60/1358367860.db2.gz RKHOZIIVCOOVQJ-RDGPPVDQSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCC(C)(C)C)[C@H]3C2)CC[NH+]1C ZINC001085016856 1358367863 /nfs/dbraw/zinc/36/78/63/1358367863.db2.gz RKHOZIIVCOOVQJ-RDGPPVDQSA-N 2 1 349.563 3.076 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101645 1358391583 /nfs/dbraw/zinc/39/15/83/1358391583.db2.gz WJPRRLOUNSJHIY-YZGWKJHDSA-N 2 1 343.515 3.012 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101645 1358391586 /nfs/dbraw/zinc/39/15/86/1358391586.db2.gz WJPRRLOUNSJHIY-YZGWKJHDSA-N 2 1 343.515 3.012 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001085152730 1358413928 /nfs/dbraw/zinc/41/39/28/1358413928.db2.gz PANLNNYPHDXDFB-GUDVDZBRSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085255088 1358445192 /nfs/dbraw/zinc/44/51/92/1358445192.db2.gz MYFIAJJZPHUGTE-VAMGGRTRSA-N 2 1 349.563 3.314 20 0 EGADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085307037 1358461710 /nfs/dbraw/zinc/46/17/10/1358461710.db2.gz COLNXAVITTZRLD-AQNXPRMDSA-N 2 1 347.547 3.211 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCCC2)C1 ZINC001085394216 1358487687 /nfs/dbraw/zinc/48/76/87/1358487687.db2.gz ZZXKWDJBAHAVSA-XUVXKRRUSA-N 2 1 349.563 3.316 20 0 EGADMP C[NH+]1C(C)(C)CC(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1(C)C ZINC001183758279 1387344927 /nfs/dbraw/zinc/34/49/27/1387344927.db2.gz SASKEZFQPFJLIH-GOSISDBHSA-N 2 1 343.515 3.029 20 0 EGADMP C[NH+]1C(C)(C)CC(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1(C)C ZINC001183758279 1387344933 /nfs/dbraw/zinc/34/49/33/1387344933.db2.gz SASKEZFQPFJLIH-GOSISDBHSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001085594068 1358619825 /nfs/dbraw/zinc/61/98/25/1358619825.db2.gz YDJCUSBTDIUIMZ-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001085594068 1358619829 /nfs/dbraw/zinc/61/98/29/1358619829.db2.gz YDJCUSBTDIUIMZ-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCCC1 ZINC001085594068 1358619832 /nfs/dbraw/zinc/61/98/32/1358619832.db2.gz YDJCUSBTDIUIMZ-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085856169 1358824475 /nfs/dbraw/zinc/82/44/75/1358824475.db2.gz SRTDQHOFSCWSLW-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001085856169 1358824481 /nfs/dbraw/zinc/82/44/81/1358824481.db2.gz SRTDQHOFSCWSLW-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001085856169 1358824487 /nfs/dbraw/zinc/82/44/87/1358824487.db2.gz SRTDQHOFSCWSLW-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875936 1358840408 /nfs/dbraw/zinc/84/04/08/1358840408.db2.gz MTKQPRJJNGHUGE-FQEVSTJZSA-N 2 1 345.531 3.331 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC(C)C ZINC001085919048 1358879340 /nfs/dbraw/zinc/87/93/40/1358879340.db2.gz RHVZLIKMABBMCC-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC(C)C ZINC001085919048 1358879343 /nfs/dbraw/zinc/87/93/43/1358879343.db2.gz RHVZLIKMABBMCC-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)C ZINC001085919048 1358879348 /nfs/dbraw/zinc/87/93/48/1358879348.db2.gz RHVZLIKMABBMCC-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CC1CCCC1)C(=O)c1ccccc1C[NH+](C)C ZINC001085987068 1358938848 /nfs/dbraw/zinc/93/88/48/1358938848.db2.gz SYSNGXINZOROHU-LJQANCHMSA-N 2 1 343.515 3.085 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2CC=C(C)C)o1 ZINC001085994705 1358950038 /nfs/dbraw/zinc/95/00/38/1358950038.db2.gz RZAQDVAJQDFHEN-QGZVFWFLSA-N 2 1 347.503 3.234 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2CC=C(C)C)o1 ZINC001085994705 1358950041 /nfs/dbraw/zinc/95/00/41/1358950041.db2.gz RZAQDVAJQDFHEN-QGZVFWFLSA-N 2 1 347.503 3.234 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086133901 1359005443 /nfs/dbraw/zinc/00/54/43/1359005443.db2.gz JPWCVZWCSMDZIG-UHOSZYNNSA-N 2 1 349.563 3.027 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086454344 1359101415 /nfs/dbraw/zinc/10/14/15/1359101415.db2.gz GDEKEFBEQMKAEW-VAMGGRTRSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086694481 1359187119 /nfs/dbraw/zinc/18/71/19/1359187119.db2.gz VAEHACAKSGDGHT-UHOSZYNNSA-N 2 1 349.563 3.170 20 0 EGADMP O=C(NC[C@H]1CC[C@@H]([NH2+]CC2CCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001086717427 1359191022 /nfs/dbraw/zinc/19/10/22/1359191022.db2.gz XHQBLMNPYYPFDB-NLWGTHIKSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086940891 1359262775 /nfs/dbraw/zinc/26/27/75/1359262775.db2.gz CTMOFRYJVFKRLC-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1CC ZINC001087593669 1359547596 /nfs/dbraw/zinc/54/75/96/1359547596.db2.gz QDTVZTQZHKYCRM-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)[C@@H]1CC ZINC001087593669 1359547599 /nfs/dbraw/zinc/54/75/99/1359547599.db2.gz QDTVZTQZHKYCRM-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)[C@@H]1CC ZINC001087593669 1359547602 /nfs/dbraw/zinc/54/76/02/1359547602.db2.gz QDTVZTQZHKYCRM-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC[N@H+]1CCC1CC1 ZINC001087749232 1359625932 /nfs/dbraw/zinc/62/59/32/1359625932.db2.gz AIUBEXPYFSHKHK-OTWHNJEPSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC[NH+]1CCC1CC1 ZINC001087749232 1359625933 /nfs/dbraw/zinc/62/59/33/1359625933.db2.gz AIUBEXPYFSHKHK-OTWHNJEPSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC[NH+]1CCC1CC1 ZINC001087749232 1359625937 /nfs/dbraw/zinc/62/59/37/1359625937.db2.gz AIUBEXPYFSHKHK-OTWHNJEPSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1CCC(C)C ZINC001087762706 1359632014 /nfs/dbraw/zinc/63/20/14/1359632014.db2.gz JAXBGAMAQQWNLH-VQTJNVASSA-N 2 1 345.531 3.377 20 0 EGADMP C[N@@H+](CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1)C1CCC1 ZINC001088327433 1359831493 /nfs/dbraw/zinc/83/14/93/1359831493.db2.gz NDFWUIMEFNAXMV-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001088347782 1359834233 /nfs/dbraw/zinc/83/42/33/1359834233.db2.gz BUYFXLBQBUIQKK-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001088382621 1359865187 /nfs/dbraw/zinc/86/51/87/1359865187.db2.gz GZRVBMJUOXASGB-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001088381489 1359865504 /nfs/dbraw/zinc/86/55/04/1359865504.db2.gz FYSJEGABSXCKBH-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCCCC[C@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001088413371 1359884102 /nfs/dbraw/zinc/88/41/02/1359884102.db2.gz DRUOIMOAQGJAEI-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCCCC[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001088414175 1359884987 /nfs/dbraw/zinc/88/49/87/1359884987.db2.gz YYTMSXAZLNTIBK-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N2CCCCC[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001088424805 1359893515 /nfs/dbraw/zinc/89/35/15/1359893515.db2.gz GKQWQDWIRUNCIO-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)[C@@H]1C ZINC001088562727 1359974663 /nfs/dbraw/zinc/97/46/63/1359974663.db2.gz KFNQCDCICPYDHJ-YZGWKJHDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)[C@@H]1C ZINC001088562727 1359974667 /nfs/dbraw/zinc/97/46/67/1359974667.db2.gz KFNQCDCICPYDHJ-YZGWKJHDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)[C@@H]1C ZINC001088562727 1359974670 /nfs/dbraw/zinc/97/46/70/1359974670.db2.gz KFNQCDCICPYDHJ-YZGWKJHDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)[C@@H]1C ZINC001088891693 1360094895 /nfs/dbraw/zinc/09/48/95/1360094895.db2.gz KEEQZPYRYZRACD-AEFFLSMTSA-N 2 1 344.503 3.086 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)[C@@H]1C ZINC001088891693 1360094900 /nfs/dbraw/zinc/09/49/00/1360094900.db2.gz KEEQZPYRYZRACD-AEFFLSMTSA-N 2 1 344.503 3.086 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897717 1360096935 /nfs/dbraw/zinc/09/69/35/1360096935.db2.gz UQJUOPXGQRGKAF-GGPKGHCWSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001088898612 1360097627 /nfs/dbraw/zinc/09/76/27/1360097627.db2.gz NGECYPPPDFXYFP-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H]1C ZINC001088898612 1360097629 /nfs/dbraw/zinc/09/76/29/1360097629.db2.gz NGECYPPPDFXYFP-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)[C@@H]1C ZINC001088898612 1360097632 /nfs/dbraw/zinc/09/76/32/1360097632.db2.gz NGECYPPPDFXYFP-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001088898613 1360097778 /nfs/dbraw/zinc/09/77/78/1360097778.db2.gz NGECYPPPDFXYFP-YZGWKJHDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H]1C ZINC001088898613 1360097782 /nfs/dbraw/zinc/09/77/82/1360097782.db2.gz NGECYPPPDFXYFP-YZGWKJHDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)[C@@H]1C ZINC001088898613 1360097785 /nfs/dbraw/zinc/09/77/85/1360097785.db2.gz NGECYPPPDFXYFP-YZGWKJHDSA-N 2 1 349.563 3.409 20 0 EGADMP C[N@@H+](CC1CCCCC1)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001089252788 1360284118 /nfs/dbraw/zinc/28/41/18/1360284118.db2.gz WJERFVBGLPHLHJ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001089252788 1360284121 /nfs/dbraw/zinc/28/41/21/1360284121.db2.gz WJERFVBGLPHLHJ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001089252788 1360284123 /nfs/dbraw/zinc/28/41/23/1360284123.db2.gz WJERFVBGLPHLHJ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089407474 1360406156 /nfs/dbraw/zinc/40/61/56/1360406156.db2.gz ZYKNVVZEBWUQKB-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089407474 1360406159 /nfs/dbraw/zinc/40/61/59/1360406159.db2.gz ZYKNVVZEBWUQKB-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089407474 1360406160 /nfs/dbraw/zinc/40/61/60/1360406160.db2.gz ZYKNVVZEBWUQKB-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089407276 1360406183 /nfs/dbraw/zinc/40/61/83/1360406183.db2.gz XUHYUSMVPPZDPC-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089407276 1360406185 /nfs/dbraw/zinc/40/61/85/1360406185.db2.gz XUHYUSMVPPZDPC-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089407276 1360406187 /nfs/dbraw/zinc/40/61/87/1360406187.db2.gz XUHYUSMVPPZDPC-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089416603 1360410755 /nfs/dbraw/zinc/41/07/55/1360410755.db2.gz NWSWUJILOYDCFP-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089416602 1360411027 /nfs/dbraw/zinc/41/10/27/1360411027.db2.gz NWSWUJILOYDCFP-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089421023 1360415170 /nfs/dbraw/zinc/41/51/70/1360415170.db2.gz QETYJHWNWMNWEC-ROUUACIJSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421023 1360415174 /nfs/dbraw/zinc/41/51/74/1360415174.db2.gz QETYJHWNWMNWEC-ROUUACIJSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421023 1360415175 /nfs/dbraw/zinc/41/51/75/1360415175.db2.gz QETYJHWNWMNWEC-ROUUACIJSA-N 2 1 335.536 3.044 20 0 EGADMP CC1(C)C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+](CC2CCC2)C1 ZINC001089429585 1360421074 /nfs/dbraw/zinc/42/10/74/1360421074.db2.gz CZMNWVYRKVUSNV-GOSISDBHSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493626 1360470543 /nfs/dbraw/zinc/47/05/43/1360470543.db2.gz YLVYDTGUVWTDTP-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493626 1360470544 /nfs/dbraw/zinc/47/05/44/1360470544.db2.gz YLVYDTGUVWTDTP-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493626 1360470545 /nfs/dbraw/zinc/47/05/45/1360470545.db2.gz YLVYDTGUVWTDTP-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089501996 1360475752 /nfs/dbraw/zinc/47/57/52/1360475752.db2.gz KCLCLNADHLINKA-QGZVFWFLSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089501996 1360475754 /nfs/dbraw/zinc/47/57/54/1360475754.db2.gz KCLCLNADHLINKA-QGZVFWFLSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089528020 1360491821 /nfs/dbraw/zinc/49/18/21/1360491821.db2.gz ZFKWNSYCEJTDET-LJQANCHMSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089533899 1360493782 /nfs/dbraw/zinc/49/37/82/1360493782.db2.gz LCFDNGMTKNQGPE-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C(C)C)CC(C)(C)C2)CC1 ZINC001089534679 1360494762 /nfs/dbraw/zinc/49/47/62/1360494762.db2.gz UQGLDNISXJTNKZ-SFHVURJKSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089638418 1360552288 /nfs/dbraw/zinc/55/22/88/1360552288.db2.gz BQYWOXBECFICDQ-ZWKOTPCHSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001089638418 1360552293 /nfs/dbraw/zinc/55/22/93/1360552293.db2.gz BQYWOXBECFICDQ-ZWKOTPCHSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001089638418 1360552298 /nfs/dbraw/zinc/55/22/98/1360552298.db2.gz BQYWOXBECFICDQ-ZWKOTPCHSA-N 2 1 337.552 3.122 20 0 EGADMP CC1(C)CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)[N@@H+](CCC2CC2)C1 ZINC001089665322 1360576135 /nfs/dbraw/zinc/57/61/35/1360576135.db2.gz VQGCKKDFAKRLMB-GOSISDBHSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001089684184 1360589255 /nfs/dbraw/zinc/58/92/55/1360589255.db2.gz NINKUNUGZFBJTI-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CCC)C1 ZINC001089684184 1360589257 /nfs/dbraw/zinc/58/92/57/1360589257.db2.gz NINKUNUGZFBJTI-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CCC)C1 ZINC001089684184 1360589261 /nfs/dbraw/zinc/58/92/61/1360589261.db2.gz NINKUNUGZFBJTI-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H](N[C@H]1CCCC[C@@H]1[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC001323991985 1387505227 /nfs/dbraw/zinc/50/52/27/1387505227.db2.gz URARPPTWJTXGMX-VDGAXYAQSA-N 2 1 333.520 3.150 20 0 EGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC001323991730 1387505510 /nfs/dbraw/zinc/50/55/10/1387505510.db2.gz SDICQYSILUJFNR-PKOBYXMFSA-N 2 1 337.458 3.396 20 0 EGADMP CC(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676612 1361439828 /nfs/dbraw/zinc/43/98/28/1361439828.db2.gz GBEUZERKHKDTFW-GGPKGHCWSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676612 1361439831 /nfs/dbraw/zinc/43/98/31/1361439831.db2.gz GBEUZERKHKDTFW-GGPKGHCWSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676612 1361439834 /nfs/dbraw/zinc/43/98/34/1361439834.db2.gz GBEUZERKHKDTFW-GGPKGHCWSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092736785 1361450561 /nfs/dbraw/zinc/45/05/61/1361450561.db2.gz YJAOJJVJGBOTCU-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001092736785 1361450562 /nfs/dbraw/zinc/45/05/62/1361450562.db2.gz YJAOJJVJGBOTCU-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001092736785 1361450566 /nfs/dbraw/zinc/45/05/66/1361450566.db2.gz YJAOJJVJGBOTCU-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782652 1361453538 /nfs/dbraw/zinc/45/35/38/1361453538.db2.gz UOXMIQHDFZPNOV-NVXWUHKLSA-N 2 1 342.487 3.068 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001093025162 1361510709 /nfs/dbraw/zinc/51/07/09/1361510709.db2.gz TTZQKMCHENDROW-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001093025162 1361510713 /nfs/dbraw/zinc/51/07/13/1361510713.db2.gz TTZQKMCHENDROW-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001093025162 1361510715 /nfs/dbraw/zinc/51/07/15/1361510715.db2.gz TTZQKMCHENDROW-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001184711896 1387517099 /nfs/dbraw/zinc/51/70/99/1387517099.db2.gz HVMWADUPVNLQGB-SJLPKXTDSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094414080 1361790772 /nfs/dbraw/zinc/79/07/72/1361790772.db2.gz SDJXCIPZCMJGER-SFHLNBCPSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094414080 1361790776 /nfs/dbraw/zinc/79/07/76/1361790776.db2.gz SDJXCIPZCMJGER-SFHLNBCPSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094414080 1361790777 /nfs/dbraw/zinc/79/07/77/1361790777.db2.gz SDJXCIPZCMJGER-SFHLNBCPSA-N 2 1 347.547 3.186 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094434235 1361800404 /nfs/dbraw/zinc/80/04/04/1361800404.db2.gz YQRVROGHAMKRSX-SFHLNBCPSA-N 2 1 347.547 3.164 20 0 EGADMP CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094434235 1361800407 /nfs/dbraw/zinc/80/04/07/1361800407.db2.gz YQRVROGHAMKRSX-SFHLNBCPSA-N 2 1 347.547 3.164 20 0 EGADMP CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094434235 1361800408 /nfs/dbraw/zinc/80/04/08/1361800408.db2.gz YQRVROGHAMKRSX-SFHLNBCPSA-N 2 1 347.547 3.164 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001094458284 1361809776 /nfs/dbraw/zinc/80/97/76/1361809776.db2.gz MOPCYTLIVOIZFG-NLWGTHIKSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C[NH2+]CC1CC1 ZINC001184891257 1387556139 /nfs/dbraw/zinc/55/61/39/1387556139.db2.gz CRBLDCKDTUFWSH-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001096105327 1362385058 /nfs/dbraw/zinc/38/50/58/1362385058.db2.gz YOLGYICBCWXNIR-FYQPLNBISA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1 ZINC001096105327 1362385062 /nfs/dbraw/zinc/38/50/62/1362385062.db2.gz YOLGYICBCWXNIR-FYQPLNBISA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001096105327 1362385064 /nfs/dbraw/zinc/38/50/64/1362385064.db2.gz YOLGYICBCWXNIR-FYQPLNBISA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001097076839 1362834899 /nfs/dbraw/zinc/83/48/99/1362834899.db2.gz TUWCUYJGUDFRHX-KURKYZTESA-N 2 1 335.536 3.019 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCC2)C1 ZINC001097695313 1363103188 /nfs/dbraw/zinc/10/31/88/1363103188.db2.gz WLFMARLBRHRXSJ-NMLBUPMWSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCC2)C1 ZINC001097695313 1363103190 /nfs/dbraw/zinc/10/31/90/1363103190.db2.gz WLFMARLBRHRXSJ-NMLBUPMWSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCC2)C1 ZINC001097695313 1363103193 /nfs/dbraw/zinc/10/31/93/1363103193.db2.gz WLFMARLBRHRXSJ-NMLBUPMWSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCC2)C1 ZINC001097860556 1363143448 /nfs/dbraw/zinc/14/34/48/1363143448.db2.gz NJHMPYUMPHOQJC-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCC2)C1 ZINC001097860556 1363143451 /nfs/dbraw/zinc/14/34/51/1363143451.db2.gz NJHMPYUMPHOQJC-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCC2)C1 ZINC001097860556 1363143453 /nfs/dbraw/zinc/14/34/53/1363143453.db2.gz NJHMPYUMPHOQJC-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185170982 1387632458 /nfs/dbraw/zinc/63/24/58/1387632458.db2.gz SIOHPKDKRIMUAE-ROUUACIJSA-N 2 1 337.552 3.005 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCCC1)C2 ZINC001099028414 1363583206 /nfs/dbraw/zinc/58/32/06/1363583206.db2.gz XOCMBEIGDHQOKX-LMNJBCLMSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCCCC1)C2 ZINC001099028414 1363583208 /nfs/dbraw/zinc/58/32/08/1363583208.db2.gz XOCMBEIGDHQOKX-LMNJBCLMSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCCC1)C2 ZINC001099028414 1363583212 /nfs/dbraw/zinc/58/32/12/1363583212.db2.gz XOCMBEIGDHQOKX-LMNJBCLMSA-N 2 1 347.547 3.022 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001099106462 1363625492 /nfs/dbraw/zinc/62/54/92/1363625492.db2.gz GKROLWRWZVMJQR-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC1CC(C[N@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001099110937 1363629057 /nfs/dbraw/zinc/62/90/57/1363629057.db2.gz MIBUOMOSFFLPKQ-FAFZWHIHSA-N 2 1 349.563 3.124 20 0 EGADMP CC1CC(C[NH+]2CC(C)(C)CC[C@@H]2CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001099110937 1363629060 /nfs/dbraw/zinc/62/90/60/1363629060.db2.gz MIBUOMOSFFLPKQ-FAFZWHIHSA-N 2 1 349.563 3.124 20 0 EGADMP CC1CC(C[NH+]2CC(C)(C)CC[C@@H]2CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001099110937 1363629062 /nfs/dbraw/zinc/62/90/62/1363629062.db2.gz MIBUOMOSFFLPKQ-FAFZWHIHSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099116474 1363632849 /nfs/dbraw/zinc/63/28/49/1363632849.db2.gz RHZVOZIMLRLSMB-MSOLQXFVSA-N 2 1 337.552 3.146 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCCCF ZINC001099198677 1363688135 /nfs/dbraw/zinc/68/81/35/1363688135.db2.gz CVNRDQCFMBVZCD-KRWDZBQOSA-N 2 1 343.531 3.075 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099240558 1363709608 /nfs/dbraw/zinc/70/96/08/1363709608.db2.gz SJWWUYFHWVFFSB-MSOLQXFVSA-N 2 1 339.568 3.370 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](CC)CC ZINC001099276410 1363727637 /nfs/dbraw/zinc/72/76/37/1363727637.db2.gz SIAGKLLMAAFSSD-BBVFFXRHSA-N 2 1 337.552 3.291 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001099276419 1363727852 /nfs/dbraw/zinc/72/78/52/1363727852.db2.gz SIOKYSLIXKDLLY-LJQANCHMSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1C[C@@H](F)CC ZINC001099320971 1363748695 /nfs/dbraw/zinc/74/86/95/1363748695.db2.gz NIHOVTWLFSXCFN-DLBZAZTESA-N 2 1 343.531 3.073 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1C[C@@H](F)CC ZINC001099320971 1363748699 /nfs/dbraw/zinc/74/86/99/1363748699.db2.gz NIHOVTWLFSXCFN-DLBZAZTESA-N 2 1 343.531 3.073 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1C[C@@H](F)CC ZINC001099320971 1363748702 /nfs/dbraw/zinc/74/87/02/1363748702.db2.gz NIHOVTWLFSXCFN-DLBZAZTESA-N 2 1 343.531 3.073 20 0 EGADMP CCC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339993 1363760052 /nfs/dbraw/zinc/76/00/52/1363760052.db2.gz NHTFNFRFPGMOPA-LIXSYLKWSA-N 2 1 349.563 3.435 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354573 1363769135 /nfs/dbraw/zinc/76/91/35/1363769135.db2.gz UYWHBMNQDALOCG-GOSISDBHSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001099354573 1363769139 /nfs/dbraw/zinc/76/91/39/1363769139.db2.gz UYWHBMNQDALOCG-GOSISDBHSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001099354573 1363769145 /nfs/dbraw/zinc/76/91/45/1363769145.db2.gz UYWHBMNQDALOCG-GOSISDBHSA-N 2 1 339.568 3.370 20 0 EGADMP CCCCCC[NH2+]C1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001100346034 1364086950 /nfs/dbraw/zinc/08/69/50/1364086950.db2.gz NAFXGTCOCAXKAE-AOCRQIFASA-N 2 1 348.535 3.461 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CCCC3CCC3)C2)C1 ZINC001100403328 1364103320 /nfs/dbraw/zinc/10/33/20/1364103320.db2.gz KFGKURPAIACLTI-IOJLRTSASA-N 2 1 349.563 3.029 20 0 EGADMP CC(C)CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001100405853 1364104102 /nfs/dbraw/zinc/10/41/02/1364104102.db2.gz PKLFSYNTOZVYJU-QLOJAFMTSA-N 2 1 349.563 3.314 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001100419178 1364108608 /nfs/dbraw/zinc/10/86/08/1364108608.db2.gz OUDBGWDLGBHWIU-DAWZGUTISA-N 2 1 337.552 3.172 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001100460001 1364122358 /nfs/dbraw/zinc/12/23/58/1364122358.db2.gz KMMWSCNZOCSLOF-UHFFFAOYSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)c1ccccc1 ZINC001324544625 1387664565 /nfs/dbraw/zinc/66/45/65/1387664565.db2.gz HSPUBABGUZHWQQ-SXLOBPIMSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccccc1 ZINC001324544625 1387664569 /nfs/dbraw/zinc/66/45/69/1387664569.db2.gz HSPUBABGUZHWQQ-SXLOBPIMSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1ccccc1 ZINC001324544625 1387664574 /nfs/dbraw/zinc/66/45/74/1387664574.db2.gz HSPUBABGUZHWQQ-SXLOBPIMSA-N 2 1 343.515 3.155 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC([NH2+]Cc2ccccc2)C1 ZINC001100765135 1364251643 /nfs/dbraw/zinc/25/16/43/1364251643.db2.gz UTXWZDYQGSONOH-UHFFFAOYSA-N 2 1 345.531 3.183 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC001100904776 1364324214 /nfs/dbraw/zinc/32/42/14/1364324214.db2.gz GEFQLNOLWIDREM-PPSBMQLTSA-N 2 1 349.494 3.103 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCCC)[C@@H](C)C1 ZINC001185316007 1387680405 /nfs/dbraw/zinc/68/04/05/1387680405.db2.gz BEDMDYJAHMWGIA-OALUTQOASA-N 2 1 339.568 3.373 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101362981 1364528210 /nfs/dbraw/zinc/52/82/10/1364528210.db2.gz LUORZIBBWLHDBI-AFFHPAEBSA-N 2 1 349.563 3.243 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CCC3CCCCC3)C[C@@]2(C)C1 ZINC001101443240 1364566361 /nfs/dbraw/zinc/56/63/61/1364566361.db2.gz APBMRRYAEIIBEO-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CCC3CCCCC3)C[C@@]2(C)C1 ZINC001101443240 1364566364 /nfs/dbraw/zinc/56/63/64/1364566364.db2.gz APBMRRYAEIIBEO-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001101582165 1364634329 /nfs/dbraw/zinc/63/43/29/1364634329.db2.gz BMRLTBVMHQKIRR-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001101596360 1364647287 /nfs/dbraw/zinc/64/72/87/1364647287.db2.gz VHJFPMDUULCYQR-CALCHBBNSA-N 2 1 337.552 3.122 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001102045043 1364821553 /nfs/dbraw/zinc/82/15/53/1364821553.db2.gz PPWAABZXTWARJX-GGPKGHCWSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001102045043 1364821556 /nfs/dbraw/zinc/82/15/56/1364821556.db2.gz PPWAABZXTWARJX-GGPKGHCWSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001102045043 1364821559 /nfs/dbraw/zinc/82/15/59/1364821559.db2.gz PPWAABZXTWARJX-GGPKGHCWSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102104081 1364858828 /nfs/dbraw/zinc/85/88/28/1364858828.db2.gz FDYBXGUWYMVGJB-QAZIKRLUSA-N 2 1 337.552 3.147 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)[C@H](C)C1 ZINC001102104081 1364858829 /nfs/dbraw/zinc/85/88/29/1364858829.db2.gz FDYBXGUWYMVGJB-QAZIKRLUSA-N 2 1 337.552 3.147 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)[C@H](C)C1 ZINC001102104081 1364858831 /nfs/dbraw/zinc/85/88/31/1364858831.db2.gz FDYBXGUWYMVGJB-QAZIKRLUSA-N 2 1 337.552 3.147 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2cccc(C)c2)C[C@H]1C ZINC001102475279 1365076256 /nfs/dbraw/zinc/07/62/56/1365076256.db2.gz GZYNJMLNSNMNGC-WSTZPKSXSA-N 2 1 345.531 3.082 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001324661725 1387722413 /nfs/dbraw/zinc/72/24/13/1387722413.db2.gz OWROZVAGXIXBDS-UYAOXDASSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001324661725 1387722415 /nfs/dbraw/zinc/72/24/15/1387722415.db2.gz OWROZVAGXIXBDS-UYAOXDASSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001324661725 1387722416 /nfs/dbraw/zinc/72/24/16/1387722416.db2.gz OWROZVAGXIXBDS-UYAOXDASSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[C@@H]1C[NH+](CCC2CC2)C[C@H]1C ZINC001103086600 1365373821 /nfs/dbraw/zinc/37/38/21/1365373821.db2.gz KAICMBREWZCSNQ-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NCC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001103086600 1365373826 /nfs/dbraw/zinc/37/38/26/1365373826.db2.gz KAICMBREWZCSNQ-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NCC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001103086600 1365373829 /nfs/dbraw/zinc/37/38/29/1365373829.db2.gz KAICMBREWZCSNQ-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001103103722 1365382186 /nfs/dbraw/zinc/38/21/86/1365382186.db2.gz WDXBRHFKCZRLFE-SHOKJUJBSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001103103722 1365382190 /nfs/dbraw/zinc/38/21/90/1365382190.db2.gz WDXBRHFKCZRLFE-SHOKJUJBSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001103103722 1365382194 /nfs/dbraw/zinc/38/21/94/1365382194.db2.gz WDXBRHFKCZRLFE-SHOKJUJBSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001103268446 1365463894 /nfs/dbraw/zinc/46/38/94/1365463894.db2.gz XSGQRKUFRNCXEF-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001103308708 1365486172 /nfs/dbraw/zinc/48/61/72/1365486172.db2.gz DVKZPNLRMKDTPM-PWBPZBFBSA-N 2 1 349.563 3.291 20 0 EGADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001103550255 1365629459 /nfs/dbraw/zinc/62/94/59/1365629459.db2.gz HHKUALYEUYNKIC-QWFCFKBJSA-N 2 1 345.531 3.164 20 0 EGADMP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104185235 1365941366 /nfs/dbraw/zinc/94/13/66/1365941366.db2.gz AREMEMJVJAKSCZ-JCHUFIKGSA-N 2 1 349.563 3.290 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(C)C)C1 ZINC001104213636 1365954509 /nfs/dbraw/zinc/95/45/09/1365954509.db2.gz IVDKFTRGURANBL-FGTMMUONSA-N 2 1 348.535 3.127 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CC2)C1 ZINC001104291602 1365977565 /nfs/dbraw/zinc/97/75/65/1365977565.db2.gz PNMFYQXXEOGKGX-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001104422344 1366018366 /nfs/dbraw/zinc/01/83/66/1366018366.db2.gz MSBFUVFVXOAOBZ-WAQVGJNASA-N 2 1 346.519 3.012 20 0 EGADMP CC[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001104742707 1366153167 /nfs/dbraw/zinc/15/31/67/1366153167.db2.gz HWAILKWMKXVEOV-RCCFBDPRSA-N 2 1 348.535 3.127 20 0 EGADMP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001104872652 1366205845 /nfs/dbraw/zinc/20/58/45/1366205845.db2.gz SGSZSHPROGOLLD-TYFAACHXSA-N 2 1 337.552 3.149 20 0 EGADMP CC(C)CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105395664 1366443951 /nfs/dbraw/zinc/44/39/51/1366443951.db2.gz CKSHDJJJNZAYOS-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001105536724 1366516346 /nfs/dbraw/zinc/51/63/46/1366516346.db2.gz IBSQTLFVUUZSCZ-RTBURBONSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C)c1ccccc1 ZINC001106839365 1366813343 /nfs/dbraw/zinc/81/33/43/1366813343.db2.gz DPEZCABMZDLOQZ-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)c1 ZINC001107042505 1366863585 /nfs/dbraw/zinc/86/35/85/1366863585.db2.gz PHQLFXPZAPKKPT-WSTZPKSXSA-N 2 1 345.531 3.080 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442907 1366965122 /nfs/dbraw/zinc/96/51/22/1366965122.db2.gz QUTOZBFZCHKISH-QKNQBKEWSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442907 1366965124 /nfs/dbraw/zinc/96/51/24/1366965124.db2.gz QUTOZBFZCHKISH-QKNQBKEWSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107442907 1366965126 /nfs/dbraw/zinc/96/51/26/1366965126.db2.gz QUTOZBFZCHKISH-QKNQBKEWSA-N 2 1 349.563 3.412 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444615 1366965547 /nfs/dbraw/zinc/96/55/47/1366965547.db2.gz RQKVTZHMNYXBGG-QLUPPNIVSA-N 2 1 349.563 3.290 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107451639 1366968660 /nfs/dbraw/zinc/96/86/60/1366968660.db2.gz ZOYWNQBURGMSDC-SBMPZUJASA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521032 1367015658 /nfs/dbraw/zinc/01/56/58/1367015658.db2.gz IJULZMJJYZDYLZ-WYTZPYIFSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107567376 1367049078 /nfs/dbraw/zinc/04/90/78/1367049078.db2.gz UCFRDMBVUIFMIK-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CC(C)(C)C1)CC2 ZINC001107618010 1367076238 /nfs/dbraw/zinc/07/62/38/1367076238.db2.gz ZGIJUCHLDCLGDD-WIYYLYMNSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(C)(C)C1)CC2 ZINC001107618010 1367076243 /nfs/dbraw/zinc/07/62/43/1367076243.db2.gz ZGIJUCHLDCLGDD-WIYYLYMNSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(C)(C)C1)CC2 ZINC001107618010 1367076245 /nfs/dbraw/zinc/07/62/45/1367076245.db2.gz ZGIJUCHLDCLGDD-WIYYLYMNSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107634993 1367085781 /nfs/dbraw/zinc/08/57/81/1367085781.db2.gz BMWYILJBSYEWJK-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1)C1CCC1 ZINC001109410798 1367109185 /nfs/dbraw/zinc/10/91/85/1367109185.db2.gz WHWMYFSCDJQRCU-AABGKKOBSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1)C1CCC1 ZINC001109410798 1367109189 /nfs/dbraw/zinc/10/91/89/1367109189.db2.gz WHWMYFSCDJQRCU-AABGKKOBSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1)C1CCC1 ZINC001109410798 1367109191 /nfs/dbraw/zinc/10/91/91/1367109191.db2.gz WHWMYFSCDJQRCU-AABGKKOBSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001109417459 1367112116 /nfs/dbraw/zinc/11/21/16/1367112116.db2.gz CNCOSLSWSKPLKI-ZRNYENFQSA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001109417459 1367112122 /nfs/dbraw/zinc/11/21/22/1367112122.db2.gz CNCOSLSWSKPLKI-ZRNYENFQSA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001109417459 1367112125 /nfs/dbraw/zinc/11/21/25/1367112125.db2.gz CNCOSLSWSKPLKI-ZRNYENFQSA-N 2 1 345.531 3.083 20 0 EGADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCCC1)[NH+](C)C ZINC001109447430 1367127029 /nfs/dbraw/zinc/12/70/29/1367127029.db2.gz LPLLLHYPUWQJLG-WCIQWLHISA-N 2 1 349.563 3.409 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCCC2)C1 ZINC001190483250 1367274660 /nfs/dbraw/zinc/27/46/60/1367274660.db2.gz QJLAWODXNZAGCI-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001190483250 1367274662 /nfs/dbraw/zinc/27/46/62/1367274662.db2.gz QJLAWODXNZAGCI-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001190483250 1367274670 /nfs/dbraw/zinc/27/46/70/1367274670.db2.gz QJLAWODXNZAGCI-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190652762 1367317528 /nfs/dbraw/zinc/31/75/28/1367317528.db2.gz AJOAOSDWWKPIAL-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190652762 1367317535 /nfs/dbraw/zinc/31/75/35/1367317535.db2.gz AJOAOSDWWKPIAL-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190652762 1367317543 /nfs/dbraw/zinc/31/75/43/1367317543.db2.gz AJOAOSDWWKPIAL-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654801 1367319086 /nfs/dbraw/zinc/31/90/86/1367319086.db2.gz LOELZFSLAPKVEW-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190654801 1367319092 /nfs/dbraw/zinc/31/90/92/1367319092.db2.gz LOELZFSLAPKVEW-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190654801 1367319096 /nfs/dbraw/zinc/31/90/96/1367319096.db2.gz LOELZFSLAPKVEW-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190743218 1367341379 /nfs/dbraw/zinc/34/13/79/1367341379.db2.gz IPAGLQUKLACJBK-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCCC(C)(C)C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001190743218 1367341382 /nfs/dbraw/zinc/34/13/82/1367341382.db2.gz IPAGLQUKLACJBK-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCCC(C)(C)C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001190743218 1367341385 /nfs/dbraw/zinc/34/13/85/1367341385.db2.gz IPAGLQUKLACJBK-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190890571 1367376454 /nfs/dbraw/zinc/37/64/54/1367376454.db2.gz SPKRMDUUMDZKIL-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCCC1 ZINC001109932869 1367410681 /nfs/dbraw/zinc/41/06/81/1367410681.db2.gz WSWVGEHBJOBLRP-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCCC1 ZINC001109932869 1367410685 /nfs/dbraw/zinc/41/06/85/1367410685.db2.gz WSWVGEHBJOBLRP-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCCC1 ZINC001109932869 1367410687 /nfs/dbraw/zinc/41/06/87/1367410687.db2.gz WSWVGEHBJOBLRP-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191351784 1367481952 /nfs/dbraw/zinc/48/19/52/1367481952.db2.gz LTEZHKZVVPWUGC-SFHVURJKSA-N 2 1 328.460 3.061 20 0 EGADMP CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001108713869 1367551559 /nfs/dbraw/zinc/55/15/59/1367551559.db2.gz BNVUNUGLKICJBA-LNLFQRSKSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188988 1367556119 /nfs/dbraw/zinc/55/61/19/1367556119.db2.gz YXGMNTJKWAXJNK-RDGPPVDQSA-N 2 1 335.536 3.020 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CCC)C2 ZINC001108804026 1367606109 /nfs/dbraw/zinc/60/61/09/1367606109.db2.gz JBAGBERUWXLRFN-TYTUHHLSSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C)C1)[NH+](CC)CC ZINC001192325066 1367752365 /nfs/dbraw/zinc/75/23/65/1367752365.db2.gz JRPGDJNOLWNUNU-VQTJNVASSA-N 2 1 345.531 3.148 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192327022 1367754067 /nfs/dbraw/zinc/75/40/67/1367754067.db2.gz WBXFOBZBPZGGOY-ZWKOTPCHSA-N 2 1 325.541 3.220 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110544827 1367821893 /nfs/dbraw/zinc/82/18/93/1367821893.db2.gz HGKBEZSLIUBUOL-RPCZBFAQSA-N 2 1 347.547 3.327 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110544827 1367821897 /nfs/dbraw/zinc/82/18/97/1367821897.db2.gz HGKBEZSLIUBUOL-RPCZBFAQSA-N 2 1 347.547 3.327 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001110544827 1367821902 /nfs/dbraw/zinc/82/19/02/1367821902.db2.gz HGKBEZSLIUBUOL-RPCZBFAQSA-N 2 1 347.547 3.327 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(C)C ZINC001110578559 1367845941 /nfs/dbraw/zinc/84/59/41/1367845941.db2.gz MQTYTUDDXFNOPK-MLHJIOFPSA-N 2 1 344.503 3.084 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001110578559 1367845943 /nfs/dbraw/zinc/84/59/43/1367845943.db2.gz MQTYTUDDXFNOPK-MLHJIOFPSA-N 2 1 344.503 3.084 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917441 1367904351 /nfs/dbraw/zinc/90/43/51/1367904351.db2.gz OMCKESZEWOYRRN-RTBURBONSA-N 2 1 339.568 3.466 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1)C(C)C ZINC001192918191 1367905047 /nfs/dbraw/zinc/90/50/47/1367905047.db2.gz YGFKSCRZVCQILG-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192947078 1367908768 /nfs/dbraw/zinc/90/87/68/1367908768.db2.gz HLEVZGSYRBFWBO-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001110684519 1367926245 /nfs/dbraw/zinc/92/62/45/1367926245.db2.gz NGAXGUWBEPPGHJ-UXKFTAHHSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001110684519 1367926246 /nfs/dbraw/zinc/92/62/46/1367926246.db2.gz NGAXGUWBEPPGHJ-UXKFTAHHSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001110684519 1367926248 /nfs/dbraw/zinc/92/62/48/1367926248.db2.gz NGAXGUWBEPPGHJ-UXKFTAHHSA-N 2 1 347.547 3.329 20 0 EGADMP CC1CC[NH+](CC(=O)N2CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C2)CC1 ZINC001193026550 1367926801 /nfs/dbraw/zinc/92/68/01/1367926801.db2.gz LASQYVYVNHSINJ-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC001193423694 1368025976 /nfs/dbraw/zinc/02/59/76/1368025976.db2.gz DEXKFINYLMPPTE-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558963 1368061506 /nfs/dbraw/zinc/06/15/06/1368061506.db2.gz FVWLLIXCRXLSJD-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C)cc2C)C1 ZINC001193609414 1368073167 /nfs/dbraw/zinc/07/31/67/1368073167.db2.gz AEJMJZUMRTVWKZ-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)cc2C)C1 ZINC001193609414 1368073171 /nfs/dbraw/zinc/07/31/71/1368073171.db2.gz AEJMJZUMRTVWKZ-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2C)C1 ZINC001193609414 1368073177 /nfs/dbraw/zinc/07/31/77/1368073177.db2.gz AEJMJZUMRTVWKZ-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948641 1368115443 /nfs/dbraw/zinc/11/54/43/1368115443.db2.gz GSUUVSAJIWYVNT-ICAPBKMHSA-N 2 1 345.487 3.033 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948641 1368115447 /nfs/dbraw/zinc/11/54/47/1368115447.db2.gz GSUUVSAJIWYVNT-ICAPBKMHSA-N 2 1 345.487 3.033 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001111098645 1368157876 /nfs/dbraw/zinc/15/78/76/1368157876.db2.gz JDLFKNLBJRRMIZ-XWHCPSPJSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001111098645 1368157880 /nfs/dbraw/zinc/15/78/80/1368157880.db2.gz JDLFKNLBJRRMIZ-XWHCPSPJSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001111098645 1368157884 /nfs/dbraw/zinc/15/78/84/1368157884.db2.gz JDLFKNLBJRRMIZ-XWHCPSPJSA-N 2 1 347.547 3.327 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099441 1368158410 /nfs/dbraw/zinc/15/84/10/1368158410.db2.gz HEJRUIMBZWYDPJ-QFTWQFLFSA-N 2 1 347.547 3.186 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH]cn1)C2 ZINC001111125805 1368161466 /nfs/dbraw/zinc/16/14/66/1368161466.db2.gz NDSLUUWPVIJMBK-RWSQOZJESA-N 2 1 344.503 3.056 20 0 EGADMP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1cnc[nH]1)C2 ZINC001111125805 1368161469 /nfs/dbraw/zinc/16/14/69/1368161469.db2.gz NDSLUUWPVIJMBK-RWSQOZJESA-N 2 1 344.503 3.056 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1cnc[nH]1)C2 ZINC001111125805 1368161472 /nfs/dbraw/zinc/16/14/72/1368161472.db2.gz NDSLUUWPVIJMBK-RWSQOZJESA-N 2 1 344.503 3.056 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC=C(C)C ZINC001111160395 1368169994 /nfs/dbraw/zinc/16/99/94/1368169994.db2.gz VNMHATKIUQGJJW-QRVBRYPASA-N 2 1 335.536 3.186 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(C)C ZINC001111160395 1368169997 /nfs/dbraw/zinc/16/99/97/1368169997.db2.gz VNMHATKIUQGJJW-QRVBRYPASA-N 2 1 335.536 3.186 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001111160395 1368170000 /nfs/dbraw/zinc/17/00/00/1368170000.db2.gz VNMHATKIUQGJJW-QRVBRYPASA-N 2 1 335.536 3.186 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164280 1368174428 /nfs/dbraw/zinc/17/44/28/1368174428.db2.gz RDDVVULRSWWCEH-INNIWQNCSA-N 2 1 349.563 3.431 20 0 EGADMP C[N@@H+](CCC(C)(C)C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081927 1368179990 /nfs/dbraw/zinc/17/99/90/1368179990.db2.gz ZDHILVMVQLCINL-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC2(CC2)CC1 ZINC001111171414 1368180185 /nfs/dbraw/zinc/18/01/85/1368180185.db2.gz CGFOYFWXMYESJN-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]([N@@H+](C)CCCCCF)C2)c1 ZINC001194228217 1368213314 /nfs/dbraw/zinc/21/33/14/1368213314.db2.gz PSZGXEJZPIGXKK-IBGZPJMESA-N 2 1 349.494 3.034 20 0 EGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOc3ccc(F)c(Cl)c3)C2)C1 ZINC001194641005 1368302155 /nfs/dbraw/zinc/30/21/55/1368302155.db2.gz KYTWABXZTGEBMY-QGZVFWFLSA-N 2 1 326.843 3.276 20 0 EGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOc3ccc(F)c(Cl)c3)C2)C1 ZINC001194641005 1368302169 /nfs/dbraw/zinc/30/21/69/1368302169.db2.gz KYTWABXZTGEBMY-QGZVFWFLSA-N 2 1 326.843 3.276 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCOc3ccc(F)c(Cl)c3)C2)C1 ZINC001194641005 1368302174 /nfs/dbraw/zinc/30/21/74/1368302174.db2.gz KYTWABXZTGEBMY-QGZVFWFLSA-N 2 1 326.843 3.276 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCOc3ccc(F)c(Cl)c3)C2)C1 ZINC001194641005 1368302178 /nfs/dbraw/zinc/30/21/78/1368302178.db2.gz KYTWABXZTGEBMY-QGZVFWFLSA-N 2 1 326.843 3.276 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001111465416 1368312256 /nfs/dbraw/zinc/31/22/56/1368312256.db2.gz UKQVQUPLQXIACA-GDFACCDQSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001111465416 1368312259 /nfs/dbraw/zinc/31/22/59/1368312259.db2.gz UKQVQUPLQXIACA-GDFACCDQSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001111465416 1368312260 /nfs/dbraw/zinc/31/22/60/1368312260.db2.gz UKQVQUPLQXIACA-GDFACCDQSA-N 2 1 347.547 3.329 20 0 EGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[C@@H](C)C1 ZINC001195179724 1368395181 /nfs/dbraw/zinc/39/51/81/1368395181.db2.gz PFKLDWDYOVNDSD-YXYSEUPNSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[C@@H](C)C1 ZINC001195179724 1368395186 /nfs/dbraw/zinc/39/51/86/1368395186.db2.gz PFKLDWDYOVNDSD-YXYSEUPNSA-N 2 1 330.516 3.428 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001111753291 1368443730 /nfs/dbraw/zinc/44/37/30/1368443730.db2.gz QSAJMFDOTSDJGJ-VZZLZSSXSA-N 2 1 347.547 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001111753291 1368443733 /nfs/dbraw/zinc/44/37/33/1368443733.db2.gz QSAJMFDOTSDJGJ-VZZLZSSXSA-N 2 1 347.547 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001111753291 1368443737 /nfs/dbraw/zinc/44/37/37/1368443737.db2.gz QSAJMFDOTSDJGJ-VZZLZSSXSA-N 2 1 347.547 3.044 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(C)C)C2 ZINC001111754290 1368444625 /nfs/dbraw/zinc/44/46/25/1368444625.db2.gz XLQDFHQPLRNNCV-UWVAXJGDSA-N 2 1 346.519 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(C)C)C2 ZINC001111754290 1368444628 /nfs/dbraw/zinc/44/46/28/1368444628.db2.gz XLQDFHQPLRNNCV-UWVAXJGDSA-N 2 1 346.519 3.023 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782343 1368459453 /nfs/dbraw/zinc/45/94/53/1368459453.db2.gz FBPWVNUDFLZPFN-YMAKWFKZSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001111782343 1368459455 /nfs/dbraw/zinc/45/94/55/1368459455.db2.gz FBPWVNUDFLZPFN-YMAKWFKZSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001111782343 1368459460 /nfs/dbraw/zinc/45/94/60/1368459460.db2.gz FBPWVNUDFLZPFN-YMAKWFKZSA-N 2 1 347.547 3.188 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCC1)C2 ZINC001111782470 1368459917 /nfs/dbraw/zinc/45/99/17/1368459917.db2.gz KOJQZHXXQAMMBK-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCCC1)C2 ZINC001111782470 1368459918 /nfs/dbraw/zinc/45/99/18/1368459918.db2.gz KOJQZHXXQAMMBK-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCC1)C2 ZINC001111782470 1368459921 /nfs/dbraw/zinc/45/99/21/1368459921.db2.gz KOJQZHXXQAMMBK-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001195852838 1368504101 /nfs/dbraw/zinc/50/41/01/1368504101.db2.gz DVLGNAYNQCKFTR-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001195852838 1368504106 /nfs/dbraw/zinc/50/41/06/1368504106.db2.gz DVLGNAYNQCKFTR-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001195852838 1368504110 /nfs/dbraw/zinc/50/41/10/1368504110.db2.gz DVLGNAYNQCKFTR-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111986858 1368592110 /nfs/dbraw/zinc/59/21/10/1368592110.db2.gz CXTZPRGCAZIPNF-DYXWJJEUSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[NH+](CC2CCCCCC2)CC1 ZINC001196342180 1368593319 /nfs/dbraw/zinc/59/33/19/1368593319.db2.gz YWKJZUZYAKQHMM-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001196342180 1368593321 /nfs/dbraw/zinc/59/33/21/1368593321.db2.gz YWKJZUZYAKQHMM-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001196342180 1368593325 /nfs/dbraw/zinc/59/33/25/1368593325.db2.gz YWKJZUZYAKQHMM-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196620032 1368650610 /nfs/dbraw/zinc/65/06/10/1368650610.db2.gz SKNQONIGRRJYLG-ICSRJNTNSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001196641370 1368654151 /nfs/dbraw/zinc/65/41/51/1368654151.db2.gz CMIWMAAOAZPMMS-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@@H](C)C[NH+]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001196641370 1368654155 /nfs/dbraw/zinc/65/41/55/1368654155.db2.gz CMIWMAAOAZPMMS-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@@H](C)C[NH+]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001196641370 1368654158 /nfs/dbraw/zinc/65/41/58/1368654158.db2.gz CMIWMAAOAZPMMS-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197485831 1368824352 /nfs/dbraw/zinc/82/43/52/1368824352.db2.gz YIIFZUKGHVOQRF-JBVUFVISSA-N 2 1 337.552 3.243 20 0 EGADMP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001112401658 1368825733 /nfs/dbraw/zinc/82/57/33/1368825733.db2.gz QVMYKDAVKFSUOQ-RXVVDRJESA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H](C)C[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197801784 1368901777 /nfs/dbraw/zinc/90/17/77/1368901777.db2.gz CVHPBXFQNSMKIK-AZUAARDMSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197801784 1368901783 /nfs/dbraw/zinc/90/17/83/1368901783.db2.gz CVHPBXFQNSMKIK-AZUAARDMSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@H](C)C[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001197801784 1368901786 /nfs/dbraw/zinc/90/17/86/1368901786.db2.gz CVHPBXFQNSMKIK-AZUAARDMSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@H](C)C[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001197801784 1368901789 /nfs/dbraw/zinc/90/17/89/1368901789.db2.gz CVHPBXFQNSMKIK-AZUAARDMSA-N 2 1 345.531 3.260 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001197817012 1368904987 /nfs/dbraw/zinc/90/49/87/1368904987.db2.gz CPXULZFMYGZEAK-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001112529936 1368915848 /nfs/dbraw/zinc/91/58/48/1368915848.db2.gz VZELIMSBKUQJKS-ZJOUEHCJSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001112529871 1368916184 /nfs/dbraw/zinc/91/61/84/1368916184.db2.gz SIQFNQAGXRRJQS-ZJOUEHCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+](C)CCC(=O)N1CCC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC001197899516 1368922016 /nfs/dbraw/zinc/92/20/16/1368922016.db2.gz ZQBGFPOBIHRILC-KRWDZBQOSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC001197899516 1368922018 /nfs/dbraw/zinc/92/20/18/1368922018.db2.gz ZQBGFPOBIHRILC-KRWDZBQOSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@@H](C)c2ccccc2F)CC1 ZINC001197899516 1368922019 /nfs/dbraw/zinc/92/20/19/1368922019.db2.gz ZQBGFPOBIHRILC-KRWDZBQOSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@H+]([C@@H](C)c2ccccc2F)CC1 ZINC001197899516 1368922024 /nfs/dbraw/zinc/92/20/24/1368922024.db2.gz ZQBGFPOBIHRILC-KRWDZBQOSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2=CCCCC2)C1 ZINC001112567223 1368930680 /nfs/dbraw/zinc/93/06/80/1368930680.db2.gz CTPIFRZRSKINLC-FPOVZHCZSA-N 2 1 347.547 3.047 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001198135929 1368965632 /nfs/dbraw/zinc/96/56/32/1368965632.db2.gz CUOWGXSNUYAHSW-UHFFFAOYSA-N 2 1 349.563 3.367 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001112864801 1369055765 /nfs/dbraw/zinc/05/57/65/1369055765.db2.gz DAPIBOPJMQVRQU-ROUUACIJSA-N 2 1 348.535 3.223 20 0 EGADMP CC(C)CCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001113252435 1369293545 /nfs/dbraw/zinc/29/35/45/1369293545.db2.gz OSBSNKPLYSDUFG-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](C(=O)N1CC[NH+](CCCC2CCCC2)CC1)[NH+](CC)CC ZINC001113338358 1369357443 /nfs/dbraw/zinc/35/74/43/1369357443.db2.gz ACTDPIRDMHMNTI-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001200577728 1369392695 /nfs/dbraw/zinc/39/26/95/1369392695.db2.gz FNCRVBPOBBHUBH-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001113401621 1369400432 /nfs/dbraw/zinc/40/04/32/1369400432.db2.gz JQRTVALWEDYZOI-ZMBJWTFHSA-N 2 1 335.536 3.142 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001200644937 1369404756 /nfs/dbraw/zinc/40/47/56/1369404756.db2.gz UCUPDCAAXPXXSB-MRXNPFEDSA-N 2 1 348.535 3.413 20 0 EGADMP CCCCCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001113441634 1369431264 /nfs/dbraw/zinc/43/12/64/1369431264.db2.gz KLHQHCACQQXOPB-SFHVURJKSA-N 2 1 325.541 3.077 20 0 EGADMP CC/C=C\CC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001113520007 1369474562 /nfs/dbraw/zinc/47/45/62/1369474562.db2.gz HLXNOLTXQINSFI-WPGJWXSHSA-N 2 1 335.536 3.142 20 0 EGADMP CC/C=C\CC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001113520007 1369474567 /nfs/dbraw/zinc/47/45/67/1369474567.db2.gz HLXNOLTXQINSFI-WPGJWXSHSA-N 2 1 335.536 3.142 20 0 EGADMP CCC[N@H+](C)CCC(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC001113571586 1369497825 /nfs/dbraw/zinc/49/78/25/1369497825.db2.gz WMDZHFXWADYXQE-LJQANCHMSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC001113571586 1369497830 /nfs/dbraw/zinc/49/78/30/1369497830.db2.gz WMDZHFXWADYXQE-LJQANCHMSA-N 2 1 349.494 3.153 20 0 EGADMP CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001201229895 1369499877 /nfs/dbraw/zinc/49/98/77/1369499877.db2.gz HNTSEZDECGBOIB-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201230530 1369499893 /nfs/dbraw/zinc/49/98/93/1369499893.db2.gz UBPJLKKGPJFONK-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001201313523 1369516359 /nfs/dbraw/zinc/51/63/59/1369516359.db2.gz CDTMECGTHRKXMP-HNNXBMFYSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)CC[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001201379025 1369530617 /nfs/dbraw/zinc/53/06/17/1369530617.db2.gz UZDNINQIHPRJIK-UHFFFAOYSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001201502340 1369558572 /nfs/dbraw/zinc/55/85/72/1369558572.db2.gz HPOHVZHVZRCKHA-ICSRJNTNSA-N 2 1 345.531 3.431 20 0 EGADMP CCC[C@@H](C)C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001201551122 1369572747 /nfs/dbraw/zinc/57/27/47/1369572747.db2.gz PJWHOWFTVBFVEJ-MISYRCLQSA-N 2 1 331.504 3.041 20 0 EGADMP CCC[C@@H](C)C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001201551122 1369572752 /nfs/dbraw/zinc/57/27/52/1369572752.db2.gz PJWHOWFTVBFVEJ-MISYRCLQSA-N 2 1 331.504 3.041 20 0 EGADMP CCC[C@@H](C)C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001201551122 1369572758 /nfs/dbraw/zinc/57/27/58/1369572758.db2.gz PJWHOWFTVBFVEJ-MISYRCLQSA-N 2 1 331.504 3.041 20 0 EGADMP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1ccnc1C(C)C)C2 ZINC001325628996 1388014370 /nfs/dbraw/zinc/01/43/70/1388014370.db2.gz HWTJWEJIPILNHQ-BCDXTJNWSA-N 2 1 346.519 3.022 20 0 EGADMP CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001325628996 1388014373 /nfs/dbraw/zinc/01/43/73/1388014373.db2.gz HWTJWEJIPILNHQ-BCDXTJNWSA-N 2 1 346.519 3.022 20 0 EGADMP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001325628996 1388014376 /nfs/dbraw/zinc/01/43/76/1388014376.db2.gz HWTJWEJIPILNHQ-BCDXTJNWSA-N 2 1 346.519 3.022 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]21 ZINC001202579266 1369811948 /nfs/dbraw/zinc/81/19/48/1369811948.db2.gz QAKISIYYORPKLP-HLAWJBBLSA-N 2 1 343.515 3.041 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]21 ZINC001202579266 1369811949 /nfs/dbraw/zinc/81/19/49/1369811949.db2.gz QAKISIYYORPKLP-HLAWJBBLSA-N 2 1 343.515 3.041 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001202579266 1369811951 /nfs/dbraw/zinc/81/19/51/1369811951.db2.gz QAKISIYYORPKLP-HLAWJBBLSA-N 2 1 343.515 3.041 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001202579266 1369811952 /nfs/dbraw/zinc/81/19/52/1369811952.db2.gz QAKISIYYORPKLP-HLAWJBBLSA-N 2 1 343.515 3.041 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001202947433 1369933745 /nfs/dbraw/zinc/93/37/45/1369933745.db2.gz PJUUSQBVSZDRDZ-KRWDZBQOSA-N 2 1 348.535 3.235 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001114403461 1369933919 /nfs/dbraw/zinc/93/39/19/1369933919.db2.gz SMNMEAKZZZYYND-WCIQWLHISA-N 2 1 347.547 3.020 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001114403461 1369933925 /nfs/dbraw/zinc/93/39/25/1369933925.db2.gz SMNMEAKZZZYYND-WCIQWLHISA-N 2 1 347.547 3.020 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001114403461 1369933926 /nfs/dbraw/zinc/93/39/26/1369933926.db2.gz SMNMEAKZZZYYND-WCIQWLHISA-N 2 1 347.547 3.020 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC2)C12CCC2 ZINC001203100934 1369983460 /nfs/dbraw/zinc/98/34/60/1369983460.db2.gz BVUODTUCTPNMRC-QZTJIDSGSA-N 2 1 347.547 3.066 20 0 EGADMP CCCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203104033 1369984687 /nfs/dbraw/zinc/98/46/87/1369984687.db2.gz PRSWGJQUPQNMGM-MSOLQXFVSA-N 2 1 349.563 3.457 20 0 EGADMP C[NH+](C)C1(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCCC(C)(C)C)C[C@H]32)CCCC1 ZINC001114629491 1369999400 /nfs/dbraw/zinc/99/94/00/1369999400.db2.gz ILPNLOKICLDFSA-DZFIZOCASA-N 2 1 349.563 3.124 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001187034752 1388043099 /nfs/dbraw/zinc/04/30/99/1388043099.db2.gz NAJLUUBLNPUJGD-KJYWSYJISA-N 2 1 343.515 3.226 20 0 EGADMP CC(C)[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203230666 1370033031 /nfs/dbraw/zinc/03/30/31/1370033031.db2.gz PHRAKTNTTVBLNW-ROUUACIJSA-N 2 1 335.536 3.066 20 0 EGADMP Fc1ccccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001203355109 1370095902 /nfs/dbraw/zinc/09/59/02/1370095902.db2.gz SXVODSIGAZRHEB-MJGOQNOKSA-N 2 1 325.431 3.175 20 0 EGADMP Fc1ccccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001203355109 1370095904 /nfs/dbraw/zinc/09/59/04/1370095904.db2.gz SXVODSIGAZRHEB-MJGOQNOKSA-N 2 1 325.431 3.175 20 0 EGADMP Fc1ccccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001203355109 1370095907 /nfs/dbraw/zinc/09/59/07/1370095907.db2.gz SXVODSIGAZRHEB-MJGOQNOKSA-N 2 1 325.431 3.175 20 0 EGADMP Fc1ccccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001203355109 1370095910 /nfs/dbraw/zinc/09/59/10/1370095910.db2.gz SXVODSIGAZRHEB-MJGOQNOKSA-N 2 1 325.431 3.175 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21)[NH+](CC)CC ZINC001114828638 1370101001 /nfs/dbraw/zinc/10/10/01/1370101001.db2.gz HMXSTTZUUXJGOF-ZGXWSNOMSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203419779 1370118876 /nfs/dbraw/zinc/11/88/76/1370118876.db2.gz NKBDVGKTTBFULQ-DLBZAZTESA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203641439 1370198127 /nfs/dbraw/zinc/19/81/27/1370198127.db2.gz QZFDXFBSZSNRGR-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP Cc1[nH+]ccn1Cc1ccc(Nc2cnn(CCC[NH+](C)C)c2)cc1 ZINC001187117930 1388056188 /nfs/dbraw/zinc/05/61/88/1388056188.db2.gz OGHKVTPOFULJEM-UHFFFAOYSA-N 2 1 338.459 3.132 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203794246 1370267826 /nfs/dbraw/zinc/26/78/26/1370267826.db2.gz WFWNCDGKGWBLDM-DLBZAZTESA-N 2 1 337.552 3.170 20 0 EGADMP CCC(CC)C[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203918782 1370314432 /nfs/dbraw/zinc/31/44/32/1370314432.db2.gz CWSKMQRCZDFTKZ-FQEVSTJZSA-N 2 1 345.531 3.306 20 0 EGADMP CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C[C@@H]21 ZINC001204269152 1370428032 /nfs/dbraw/zinc/42/80/32/1370428032.db2.gz WBGARRSZYJSDLX-HLAWJBBLSA-N 2 1 346.515 3.264 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC001204269098 1370428557 /nfs/dbraw/zinc/42/85/57/1370428557.db2.gz UOHCWXZMASUVRS-HNNXBMFYSA-N 2 1 330.394 3.401 20 0 EGADMP CCOc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc1OC ZINC001204362410 1370453510 /nfs/dbraw/zinc/45/35/10/1370453510.db2.gz UWLDMFQTRWILER-UHFFFAOYSA-N 2 1 341.455 3.120 20 0 EGADMP [NH3+]CC[C@H]1C[N@H+](Cc2cccc(Oc3ccc(F)cc3)c2)CCO1 ZINC001204756603 1370567865 /nfs/dbraw/zinc/56/78/65/1370567865.db2.gz QEEFESUYORNZCB-IBGZPJMESA-N 2 1 330.403 3.168 20 0 EGADMP [NH3+]CC[C@H]1C[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)CCO1 ZINC001204756603 1370567867 /nfs/dbraw/zinc/56/78/67/1370567867.db2.gz QEEFESUYORNZCB-IBGZPJMESA-N 2 1 330.403 3.168 20 0 EGADMP CC[C@H](F)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579385 1370582503 /nfs/dbraw/zinc/58/25/03/1370582503.db2.gz LGBLPFNLIXXPBG-IRXDYDNUSA-N 2 1 341.515 3.018 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc3cc(Br)ccc3[nH]2)C1 ZINC001205008410 1370626711 /nfs/dbraw/zinc/62/67/11/1370626711.db2.gz AANKHLXNAGBHBV-LBPRGKRZSA-N 2 1 336.277 3.362 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc3cc(Br)ccc3[nH]2)C1 ZINC001205008410 1370626717 /nfs/dbraw/zinc/62/67/17/1370626717.db2.gz AANKHLXNAGBHBV-LBPRGKRZSA-N 2 1 336.277 3.362 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(-c3ccc(OC)cc3)n2)C1 ZINC001205009605 1370627713 /nfs/dbraw/zinc/62/77/13/1370627713.db2.gz YUBOMTJARJQRFY-MRXNPFEDSA-N 2 1 325.456 3.189 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccc(OC)cc3)n2)C1 ZINC001205009605 1370627718 /nfs/dbraw/zinc/62/77/18/1370627718.db2.gz YUBOMTJARJQRFY-MRXNPFEDSA-N 2 1 325.456 3.189 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(OC)ncc2-c2ccccc2)C1 ZINC001205015382 1370628869 /nfs/dbraw/zinc/62/88/69/1370628869.db2.gz CJXSUQDEDMAUEF-INIZCTEOSA-N 2 1 325.456 3.189 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(OC)ncc2-c2ccccc2)C1 ZINC001205015382 1370628876 /nfs/dbraw/zinc/62/88/76/1370628876.db2.gz CJXSUQDEDMAUEF-INIZCTEOSA-N 2 1 325.456 3.189 20 0 EGADMP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([NH3+])CC3)o2)cc1 ZINC001205101798 1370650030 /nfs/dbraw/zinc/65/00/30/1370650030.db2.gz LVNRCEIRENLMGO-QGZVFWFLSA-N 2 1 342.439 3.437 20 0 EGADMP COC(=O)c1ccc(-c2cccc(C[N@H+]3CCC[C@H]([NH3+])CC3)c2)cc1 ZINC001205123674 1370656739 /nfs/dbraw/zinc/65/67/39/1370656739.db2.gz DYIZBWJMBVOTJW-FQEVSTJZSA-N 2 1 338.451 3.453 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)ccc1F ZINC001205180771 1370672624 /nfs/dbraw/zinc/67/26/24/1370672624.db2.gz OJCZCGXCCRGRLM-UXHICEINSA-N 2 1 339.458 3.483 20 0 EGADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)ccc1F ZINC001205180771 1370672632 /nfs/dbraw/zinc/67/26/32/1370672632.db2.gz OJCZCGXCCRGRLM-UXHICEINSA-N 2 1 339.458 3.483 20 0 EGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)ccc1F ZINC001205180771 1370672635 /nfs/dbraw/zinc/67/26/35/1370672635.db2.gz OJCZCGXCCRGRLM-UXHICEINSA-N 2 1 339.458 3.483 20 0 EGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)ccc1F ZINC001205180771 1370672640 /nfs/dbraw/zinc/67/26/40/1370672640.db2.gz OJCZCGXCCRGRLM-UXHICEINSA-N 2 1 339.458 3.483 20 0 EGADMP CCCCCCOc1ccccc1C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205210104 1370681391 /nfs/dbraw/zinc/68/13/91/1370681391.db2.gz MRFUQXHNSTXFTC-FQEVSTJZSA-N 2 1 334.504 3.321 20 0 EGADMP CC(C)(C[N@H+]1CCC[C@](O)(C[NH3+])CC1)Sc1ccc(Cl)cc1 ZINC001205210503 1370682342 /nfs/dbraw/zinc/68/23/42/1370682342.db2.gz OYNKLYVMSYRJDA-QGZVFWFLSA-N 2 1 342.936 3.386 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001205231007 1370688658 /nfs/dbraw/zinc/68/86/58/1370688658.db2.gz VGMMEIIVLACXCH-CQSZACIVSA-N 2 1 336.785 3.035 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)CC1 ZINC001205247415 1370694495 /nfs/dbraw/zinc/69/44/95/1370694495.db2.gz HEVXPSCVJROKOQ-HXUWFJFHSA-N 2 1 346.421 3.308 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273863 1370703396 /nfs/dbraw/zinc/70/33/96/1370703396.db2.gz QKLKBCLPNMZADB-OAHLLOKOSA-N 2 1 332.366 3.297 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273863 1370703397 /nfs/dbraw/zinc/70/33/97/1370703397.db2.gz QKLKBCLPNMZADB-OAHLLOKOSA-N 2 1 332.366 3.297 20 0 EGADMP COc1ccc(-c2ccncc2)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205296514 1370711186 /nfs/dbraw/zinc/71/11/86/1370711186.db2.gz QMOYTIVRCFKLNP-FQEVSTJZSA-N 2 1 325.456 3.461 20 0 EGADMP CC/C=C/CC[NH2+]C1(CNC(=O)C[N@H+]2CCC(C)(C)C2)CCCCC1 ZINC001115730438 1370713187 /nfs/dbraw/zinc/71/31/87/1370713187.db2.gz JQPCNMGBYQVIPN-AATRIKPKSA-N 2 1 349.563 3.483 20 0 EGADMP CCc1cc(Br)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205316729 1370719043 /nfs/dbraw/zinc/71/90/43/1370719043.db2.gz KVTNOGNTZOCWOT-DOMZBBRYSA-N 2 1 325.294 3.428 20 0 EGADMP CCc1cc(Br)ccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205316729 1370719045 /nfs/dbraw/zinc/71/90/45/1370719045.db2.gz KVTNOGNTZOCWOT-DOMZBBRYSA-N 2 1 325.294 3.428 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccnc(OCc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC001205316691 1370719058 /nfs/dbraw/zinc/71/90/58/1370719058.db2.gz KHSCSXHDNWPDOE-APWZRJJASA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccnc(OCc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC001205316691 1370719062 /nfs/dbraw/zinc/71/90/62/1370719062.db2.gz KHSCSXHDNWPDOE-APWZRJJASA-N 2 1 325.456 3.077 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205318841 1370721165 /nfs/dbraw/zinc/72/11/65/1370721165.db2.gz XCQOIVSUFMDAIC-HUUCEWRRSA-N 2 1 343.471 3.070 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205318841 1370721169 /nfs/dbraw/zinc/72/11/69/1370721169.db2.gz XCQOIVSUFMDAIC-HUUCEWRRSA-N 2 1 343.471 3.070 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001205340392 1370726439 /nfs/dbraw/zinc/72/64/39/1370726439.db2.gz YGWBFYVOQSTUHC-MRXNPFEDSA-N 2 1 346.519 3.025 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205518944 1370778482 /nfs/dbraw/zinc/77/84/82/1370778482.db2.gz PUPDKMHODLNLJL-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCCCC1 ZINC001115806360 1370789812 /nfs/dbraw/zinc/78/98/12/1370789812.db2.gz VFJKCSLPVOLILE-CEXWTWQISA-N 2 1 349.563 3.173 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001205562024 1370792157 /nfs/dbraw/zinc/79/21/57/1370792157.db2.gz NUIHVJSNENHTRX-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c(F)cccc2Br)CC[C@@H]1C[NH3+] ZINC001205617925 1370812482 /nfs/dbraw/zinc/81/24/82/1370812482.db2.gz PGNSKKDUINDFFQ-VXGBXAGGSA-N 2 1 329.257 3.395 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205618419 1370813141 /nfs/dbraw/zinc/81/31/41/1370813141.db2.gz VVJITXKONMBNDX-OXJNMPFZSA-N 2 1 340.515 3.355 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(Br)c1 ZINC001205629205 1370817448 /nfs/dbraw/zinc/81/74/48/1370817448.db2.gz YKMWMGHXYQANPW-CHWSQXEVSA-N 2 1 341.293 3.265 20 0 EGADMP CCOC(=O)c1c(Cl)cccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205652032 1370829009 /nfs/dbraw/zinc/82/90/09/1370829009.db2.gz NQCWNZRNGRYTPP-KBPBESRZSA-N 2 1 338.879 3.324 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(OC)c1Cl ZINC001205651208 1370829018 /nfs/dbraw/zinc/82/90/18/1370829018.db2.gz BBMFRANMXWINFS-STQMWFEESA-N 2 1 326.868 3.164 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc1OC(F)(F)F ZINC001205663342 1370833691 /nfs/dbraw/zinc/83/36/91/1370833691.db2.gz HWQJALLBWUQPSC-GXTWGEPZSA-N 2 1 346.393 3.401 20 0 EGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205662653 1370833940 /nfs/dbraw/zinc/83/39/40/1370833940.db2.gz CWZXLBJSSCFZJQ-UTKZUKDTSA-N 2 1 332.532 3.338 20 0 EGADMP Cn1c2ccccc2c2cc(C[N@H+]3CCCC[C@](O)(C[NH3+])C3)ccc21 ZINC001205672176 1370837942 /nfs/dbraw/zinc/83/79/42/1370837942.db2.gz GQLIBXJCAHNGRH-NRFANRHFSA-N 2 1 337.467 3.007 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C ZINC001205716035 1370850480 /nfs/dbraw/zinc/85/04/80/1370850480.db2.gz DJGABKVVOODIDD-SJORKVTESA-N 2 1 341.540 3.247 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C ZINC001205716035 1370850488 /nfs/dbraw/zinc/85/04/88/1370850488.db2.gz DJGABKVVOODIDD-SJORKVTESA-N 2 1 341.540 3.247 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CCC1(F)F ZINC001205797110 1370874599 /nfs/dbraw/zinc/87/45/99/1370874599.db2.gz ZQMXRPNBHVJWRS-KRWDZBQOSA-N 2 1 332.394 3.475 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CCC1(F)F ZINC001205797110 1370874603 /nfs/dbraw/zinc/87/46/03/1370874603.db2.gz ZQMXRPNBHVJWRS-KRWDZBQOSA-N 2 1 332.394 3.475 20 0 EGADMP Cc1cnccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001205851018 1370891285 /nfs/dbraw/zinc/89/12/85/1370891285.db2.gz SYRLWGGYBUPHFR-UHFFFAOYSA-N 2 1 336.483 3.273 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCCCC2)CCC[C@@]1(O)C(F)(F)F ZINC001205922942 1370912316 /nfs/dbraw/zinc/91/23/16/1370912316.db2.gz DWXRFWNHJCTHQY-HOCLYGCPSA-N 2 1 336.442 3.324 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCCCC2)CCC[C@@]1(O)C(F)(F)F ZINC001205922942 1370912321 /nfs/dbraw/zinc/91/23/21/1370912321.db2.gz DWXRFWNHJCTHQY-HOCLYGCPSA-N 2 1 336.442 3.324 20 0 EGADMP CC[N@H+]1CC[C@@H](NCc2cc(Cl)c(OC)c(OC)c2)[C@@H](C)C1 ZINC001116480736 1370921083 /nfs/dbraw/zinc/92/10/83/1370921083.db2.gz QHYKYVRCOOKPNG-SWLSCSKDSA-N 2 1 326.868 3.177 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)[C@@H](C)C1 ZINC001116480736 1370921087 /nfs/dbraw/zinc/92/10/87/1370921087.db2.gz QHYKYVRCOOKPNG-SWLSCSKDSA-N 2 1 326.868 3.177 20 0 EGADMP C[C@H]1C[N@@H+](CCc2ccc(Br)cc2)CCC[C@H]1C[NH3+] ZINC001205981907 1370929033 /nfs/dbraw/zinc/92/90/33/1370929033.db2.gz IWLQAUMFYIUIJD-ZFWWWQNUSA-N 2 1 325.294 3.298 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Br)CCC[C@@H]1C[NH3+] ZINC001205994395 1370933051 /nfs/dbraw/zinc/93/30/51/1370933051.db2.gz LJVJNRRDEQDOKV-VXGBXAGGSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@H]1C[N@H+](Cc2cncc(Br)c2Cl)CCC[C@H]1C[NH3+] ZINC001206036862 1370945454 /nfs/dbraw/zinc/94/54/54/1370945454.db2.gz RVFYMAGFYOAYOA-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cncc(Br)c2Cl)CCC[C@H]1C[NH3+] ZINC001206036862 1370945458 /nfs/dbraw/zinc/94/54/58/1370945458.db2.gz RVFYMAGFYOAYOA-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001206109665 1370961619 /nfs/dbraw/zinc/96/16/19/1370961619.db2.gz UKTYOBHOUSREJA-GVDBMIGSSA-N 2 1 341.540 3.483 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001206109665 1370961624 /nfs/dbraw/zinc/96/16/24/1370961624.db2.gz UKTYOBHOUSREJA-GVDBMIGSSA-N 2 1 341.540 3.483 20 0 EGADMP Cn1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c1Cl ZINC001206304944 1371016745 /nfs/dbraw/zinc/01/67/45/1371016745.db2.gz SBTICCYXJITHPR-CYBMUJFWSA-N 2 1 338.805 3.043 20 0 EGADMP Cn1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1Cl ZINC001206304944 1371016748 /nfs/dbraw/zinc/01/67/48/1371016748.db2.gz SBTICCYXJITHPR-CYBMUJFWSA-N 2 1 338.805 3.043 20 0 EGADMP Cn1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c1Cl ZINC001206304946 1371016853 /nfs/dbraw/zinc/01/68/53/1371016853.db2.gz SBTICCYXJITHPR-ZDUSSCGKSA-N 2 1 338.805 3.043 20 0 EGADMP Cn1nc(C(F)(F)F)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1Cl ZINC001206304946 1371016858 /nfs/dbraw/zinc/01/68/58/1371016858.db2.gz SBTICCYXJITHPR-ZDUSSCGKSA-N 2 1 338.805 3.043 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CC1 ZINC001206327420 1371023304 /nfs/dbraw/zinc/02/33/04/1371023304.db2.gz WGJQNOGLOIULLU-SFHVURJKSA-N 2 1 332.879 3.477 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1Br ZINC001206326850 1371023330 /nfs/dbraw/zinc/02/33/30/1371023330.db2.gz PTKVUCHFTAQZOG-MRXNPFEDSA-N 2 1 341.293 3.409 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2Sc2ccc(Cl)cc2)C[C@@H]1O ZINC001206525404 1371083231 /nfs/dbraw/zinc/08/32/31/1371083231.db2.gz PMXOACNPKHTHNY-YOEHRIQHSA-N 2 1 348.899 3.243 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2Sc2ccc(Cl)cc2)C[C@@H]1O ZINC001206525404 1371083237 /nfs/dbraw/zinc/08/32/37/1371083237.db2.gz PMXOACNPKHTHNY-YOEHRIQHSA-N 2 1 348.899 3.243 20 0 EGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(OC3CCOCC3)cc2)C1 ZINC001206554431 1371092043 /nfs/dbraw/zinc/09/20/43/1371092043.db2.gz CHKHMNXFOYNTGN-HXUWFJFHSA-N 2 1 332.488 3.195 20 0 EGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)C1 ZINC001206564859 1371095593 /nfs/dbraw/zinc/09/55/93/1371095593.db2.gz QPHBIDBDGPUDMU-SFHVURJKSA-N 2 1 334.414 3.306 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206615082 1371109066 /nfs/dbraw/zinc/10/90/66/1371109066.db2.gz BMALYLACOYHDTH-IBGZPJMESA-N 2 1 326.488 3.109 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c2c(OC)cccc12 ZINC001206616983 1371109918 /nfs/dbraw/zinc/10/99/18/1371109918.db2.gz WCBOHZIZKSDHOS-HNNXBMFYSA-N 2 1 328.456 3.418 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]C[C@@H](C)CC)CC1 ZINC001206621750 1371110850 /nfs/dbraw/zinc/11/08/50/1371110850.db2.gz FVLMRXIWUWXROK-SFHVURJKSA-N 2 1 339.568 3.373 20 0 EGADMP c1ccc2c(c1)CCC[N@H+](Cc1ccc(CN3CCOCC3)cc1)C2 ZINC001206716917 1371143512 /nfs/dbraw/zinc/14/35/12/1371143512.db2.gz KVUGPVHBCDGXMV-UHFFFAOYSA-N 2 1 336.479 3.467 20 0 EGADMP c1ccc2c(c1)CCC[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC001206716917 1371143515 /nfs/dbraw/zinc/14/35/15/1371143515.db2.gz KVUGPVHBCDGXMV-UHFFFAOYSA-N 2 1 336.479 3.467 20 0 EGADMP c1ccc2c(c1)CCC[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC001206716917 1371143518 /nfs/dbraw/zinc/14/35/18/1371143518.db2.gz KVUGPVHBCDGXMV-UHFFFAOYSA-N 2 1 336.479 3.467 20 0 EGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CCCc1cccc(Br)c1 ZINC001206761331 1371156870 /nfs/dbraw/zinc/15/68/70/1371156870.db2.gz WYRZYCDRJVHVDI-DZGCQCFKSA-N 2 1 325.294 3.441 20 0 EGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc2ccc(Br)cc2[nH]1 ZINC001206772206 1371160345 /nfs/dbraw/zinc/16/03/45/1371160345.db2.gz ZFKSJLXBBUWCHK-NEPJUHHUSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001206772227 1371160672 /nfs/dbraw/zinc/16/06/72/1371160672.db2.gz ZJXGVOIACGAUTD-NWDGAFQWSA-N 2 1 336.277 3.490 20 0 EGADMP Cc1ncc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)n1C ZINC001206794586 1371168993 /nfs/dbraw/zinc/16/89/93/1371168993.db2.gz AYMINGGQGCNGQK-UHFFFAOYSA-N 2 1 326.488 3.073 20 0 EGADMP Cc1ncc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)n1C ZINC001206793480 1371169043 /nfs/dbraw/zinc/16/90/43/1371169043.db2.gz YMRPTBYCMGTQFR-IBGZPJMESA-N 2 1 342.487 3.198 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]CC2CCCCCC2)CC1 ZINC001206794138 1371169458 /nfs/dbraw/zinc/16/94/58/1371169458.db2.gz JHAQJKWMYGQFTG-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc2c1NC(C)(C)C=C2 ZINC001206812532 1371177720 /nfs/dbraw/zinc/17/77/20/1371177720.db2.gz ZGUGVVAEFWOXAW-CABCVRRESA-N 2 1 329.488 3.472 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)no1 ZINC001206823716 1371180265 /nfs/dbraw/zinc/18/02/65/1371180265.db2.gz PXBDQKDOSCOZJW-MOPGFXCFSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)no1 ZINC001206823716 1371180269 /nfs/dbraw/zinc/18/02/69/1371180269.db2.gz PXBDQKDOSCOZJW-MOPGFXCFSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)no1 ZINC001206823716 1371180273 /nfs/dbraw/zinc/18/02/73/1371180273.db2.gz PXBDQKDOSCOZJW-MOPGFXCFSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)no1 ZINC001206823716 1371180277 /nfs/dbraw/zinc/18/02/77/1371180277.db2.gz PXBDQKDOSCOZJW-MOPGFXCFSA-N 2 1 325.456 3.327 20 0 EGADMP CCC/C=C\CC[NH2+]CC1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001206889446 1371209896 /nfs/dbraw/zinc/20/98/96/1371209896.db2.gz RPCREOVLUIUFCP-FPLPWBNLSA-N 2 1 337.552 3.293 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206974981 1371255311 /nfs/dbraw/zinc/25/53/11/1371255311.db2.gz ZGQSZTIUDIVFRF-JNVNVXKGSA-N 2 1 349.563 3.434 20 0 EGADMP O=c1[nH]cccc1C[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001207008753 1371265632 /nfs/dbraw/zinc/26/56/32/1371265632.db2.gz LXGIAKKMWWWSSK-MTQWCTHYSA-N 2 1 339.483 3.182 20 0 EGADMP O=c1[nH]cccc1C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001207008753 1371265636 /nfs/dbraw/zinc/26/56/36/1371265636.db2.gz LXGIAKKMWWWSSK-MTQWCTHYSA-N 2 1 339.483 3.182 20 0 EGADMP O=c1[nH]cccc1C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001207008753 1371265639 /nfs/dbraw/zinc/26/56/39/1371265639.db2.gz LXGIAKKMWWWSSK-MTQWCTHYSA-N 2 1 339.483 3.182 20 0 EGADMP O=c1[nH]cccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001207012848 1371266881 /nfs/dbraw/zinc/26/68/81/1371266881.db2.gz ZEJKIRGEVUFORA-OALUTQOASA-N 2 1 337.467 3.131 20 0 EGADMP O=c1[nH]cccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001207012848 1371266887 /nfs/dbraw/zinc/26/68/87/1371266887.db2.gz ZEJKIRGEVUFORA-OALUTQOASA-N 2 1 337.467 3.131 20 0 EGADMP O=c1[nH]cccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001207012848 1371266891 /nfs/dbraw/zinc/26/68/91/1371266891.db2.gz ZEJKIRGEVUFORA-OALUTQOASA-N 2 1 337.467 3.131 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cccc(=O)[nH]1)CC2 ZINC001207067389 1371284638 /nfs/dbraw/zinc/28/46/38/1371284638.db2.gz WSQFDHJXTHEXBM-SFHVURJKSA-N 2 1 341.455 3.257 20 0 EGADMP O=c1cc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc[nH]1 ZINC001207128244 1371303342 /nfs/dbraw/zinc/30/33/42/1371303342.db2.gz ZSOBVQNRRPLNJN-OAQYLSRUSA-N 2 1 337.467 3.275 20 0 EGADMP O=c1cc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc[nH]1 ZINC001207128244 1371303348 /nfs/dbraw/zinc/30/33/48/1371303348.db2.gz ZSOBVQNRRPLNJN-OAQYLSRUSA-N 2 1 337.467 3.275 20 0 EGADMP O=c1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc[nH]1 ZINC001207128244 1371303353 /nfs/dbraw/zinc/30/33/53/1371303353.db2.gz ZSOBVQNRRPLNJN-OAQYLSRUSA-N 2 1 337.467 3.275 20 0 EGADMP c1ccc(COCC[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001207235708 1371337453 /nfs/dbraw/zinc/33/74/53/1371337453.db2.gz NEFPIEHVPGPPIX-VXKWHMMOSA-N 2 1 336.479 3.267 20 0 EGADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001207261205 1371344376 /nfs/dbraw/zinc/34/43/76/1371344376.db2.gz NAEYWSOSJUKDLR-SFHVURJKSA-N 2 1 336.520 3.306 20 0 EGADMP C[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207274758 1371347806 /nfs/dbraw/zinc/34/78/06/1371347806.db2.gz GCZDDAXLVJFMJD-HZPDHXFCSA-N 2 1 341.540 3.199 20 0 EGADMP CC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CC(C)(C)C[NH+](C)C ZINC001207288267 1371351768 /nfs/dbraw/zinc/35/17/68/1371351768.db2.gz MBLNHLWZJRWWLJ-INIZCTEOSA-N 2 1 341.540 3.153 20 0 EGADMP COC(=O)C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC001207292570 1371352525 /nfs/dbraw/zinc/35/25/25/1371352525.db2.gz UUWBUKAHXUYHDY-UHFFFAOYSA-N 2 1 344.499 3.316 20 0 EGADMP COC(=O)[C@@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC001207292337 1371352640 /nfs/dbraw/zinc/35/26/40/1371352640.db2.gz OIPIWXIWFHXKEW-FXAWDEMLSA-N 2 1 344.499 3.172 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001207317741 1371359585 /nfs/dbraw/zinc/35/95/85/1371359585.db2.gz HCRGXRFCOYDMBU-INIZCTEOSA-N 2 1 327.513 3.050 20 0 EGADMP Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC[NH+](C)CC1 ZINC001207398880 1371384545 /nfs/dbraw/zinc/38/45/45/1371384545.db2.gz SIWWWZXUMQPBND-DFNIBXOVSA-N 2 1 345.535 3.220 20 0 EGADMP CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)[N@H+]1CC1CC[NH2+]CC1 ZINC001207441712 1371396697 /nfs/dbraw/zinc/39/66/97/1371396697.db2.gz LGNSQVNVPPFDQI-RBUKOAKNSA-N 2 1 330.472 3.145 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CC[C@]3(c4ccccc4OC3=O)C2(C)C)CC1 ZINC001207487064 1371410363 /nfs/dbraw/zinc/41/03/63/1371410363.db2.gz GMJXUIANYBKSLY-OAQYLSRUSA-N 2 1 342.483 3.060 20 0 EGADMP COc1cc2c(cc1C[N@H+]1C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C1)O[C@@H](C)C2 ZINC001119988564 1371443735 /nfs/dbraw/zinc/44/37/35/1371443735.db2.gz KGOGBIKVSLYSIM-MRHSLFKSSA-N 2 1 344.499 3.181 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCC(C)(C)C)CCCCC2)C1 ZINC001120010704 1371454127 /nfs/dbraw/zinc/45/41/27/1371454127.db2.gz VDOFGPCFIPMWLR-QGZVFWFLSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CCCC(C)C)C[C@H]2C)ccc2c[nH+]cn21 ZINC001207790425 1371505384 /nfs/dbraw/zinc/50/53/84/1371505384.db2.gz SVXHJOJGLKISEG-DNVCBOLYSA-N 2 1 342.487 3.129 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](CC3(C)COC3)C[C@H]21 ZINC001207796624 1371506775 /nfs/dbraw/zinc/50/67/75/1371506775.db2.gz YUNKHLDMLBMVQZ-KBAYOESNSA-N 2 1 334.529 3.317 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](CC3(C)COC3)C[C@H]21 ZINC001207796624 1371506779 /nfs/dbraw/zinc/50/67/79/1371506779.db2.gz YUNKHLDMLBMVQZ-KBAYOESNSA-N 2 1 334.529 3.317 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](CC3(C)COC3)C[C@H]21 ZINC001207796624 1371506783 /nfs/dbraw/zinc/50/67/83/1371506783.db2.gz YUNKHLDMLBMVQZ-KBAYOESNSA-N 2 1 334.529 3.317 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C[C@H](C)c3ccccc3)CC2)C1 ZINC001207912963 1371536055 /nfs/dbraw/zinc/53/60/55/1371536055.db2.gz AAKXGHZIJXCIDV-PKOBYXMFSA-N 2 1 344.499 3.140 20 0 EGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](C[C@H]1CCCCO1)CC2 ZINC001207954333 1371550603 /nfs/dbraw/zinc/55/06/03/1371550603.db2.gz HICLKGNFHAVBCB-HXUWFJFHSA-N 2 1 343.515 3.327 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@@H]4CCCCO4)CC[C@@H]3C2)cc1 ZINC001207963317 1371552767 /nfs/dbraw/zinc/55/27/67/1371552767.db2.gz FVCLGXMKDAOHPN-NJYVYQBISA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCCO4)CC[C@@H]3C2)cc1 ZINC001207963317 1371552770 /nfs/dbraw/zinc/55/27/70/1371552770.db2.gz FVCLGXMKDAOHPN-NJYVYQBISA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCCO4)CC[C@@H]3C2)cc1 ZINC001207963317 1371552775 /nfs/dbraw/zinc/55/27/75/1371552775.db2.gz FVCLGXMKDAOHPN-NJYVYQBISA-N 2 1 328.500 3.400 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CCC2CCCC2)C1 ZINC001120432119 1371575707 /nfs/dbraw/zinc/57/57/07/1371575707.db2.gz YGFVPTYADYCMJD-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208048693 1371580316 /nfs/dbraw/zinc/58/03/16/1371580316.db2.gz JVYXEBVHLKKRLC-MOPGFXCFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120463287 1371585282 /nfs/dbraw/zinc/58/52/82/1371585282.db2.gz YFNBYLORARFXGL-VQTJNVASSA-N 2 1 349.563 3.366 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001208073566 1371588543 /nfs/dbraw/zinc/58/85/43/1371588543.db2.gz LMXLCWUXIHZKBK-XXCOWLKOSA-N 2 1 346.519 3.334 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001208092323 1371593875 /nfs/dbraw/zinc/59/38/75/1371593875.db2.gz OBYFUOVZMARGDL-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001208112294 1371598694 /nfs/dbraw/zinc/59/86/94/1371598694.db2.gz UTCSYHRWTPRQOU-QFIPXVFZSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC(C)(CN2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001208112294 1371598697 /nfs/dbraw/zinc/59/86/97/1371598697.db2.gz UTCSYHRWTPRQOU-QFIPXVFZSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC(C)(CN2CC[C@@]3(CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001208112294 1371598701 /nfs/dbraw/zinc/59/87/01/1371598701.db2.gz UTCSYHRWTPRQOU-QFIPXVFZSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+](C)CC1(C[N@@H+](C)CCCCNC(=O)OC(C)(C)C)CCCC1 ZINC001208187928 1371627218 /nfs/dbraw/zinc/62/72/18/1371627218.db2.gz PONJQDSUMCSRKL-UHFFFAOYSA-N 2 1 341.540 3.345 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](CC3(c4ccccc4)CCOCC3)C2)CC1 ZINC001208235345 1371670460 /nfs/dbraw/zinc/67/04/60/1371670460.db2.gz CYMSEQMQNJMXFB-UHFFFAOYSA-N 2 1 328.500 3.153 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001208280008 1371696165 /nfs/dbraw/zinc/69/61/65/1371696165.db2.gz XHODLDFIXRHPEF-MGBKSAOESA-N 2 1 335.536 3.188 20 0 EGADMP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1)c1ccccc1 ZINC001208447020 1371768940 /nfs/dbraw/zinc/76/89/40/1371768940.db2.gz FWPRFOHTYQPNIH-RTBURBONSA-N 2 1 345.531 3.449 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001208447156 1371769539 /nfs/dbraw/zinc/76/95/39/1371769539.db2.gz IXVREEVAFWLGGB-WMZOPIPTSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001208460213 1371775670 /nfs/dbraw/zinc/77/56/70/1371775670.db2.gz QFLUYBWYKQMBRR-IAGOWNOFSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001208459555 1371775792 /nfs/dbraw/zinc/77/57/92/1371775792.db2.gz BYFQCOLCRKAHNS-KRWDZBQOSA-N 2 1 337.552 3.410 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001208596016 1371835399 /nfs/dbraw/zinc/83/53/99/1371835399.db2.gz ZIJJSRRZRNGRIJ-KRWDZBQOSA-N 2 1 339.524 3.098 20 0 EGADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001208618793 1371845410 /nfs/dbraw/zinc/84/54/10/1371845410.db2.gz RUYFYVZNXNWPCW-APWZRJJASA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001208618793 1371845415 /nfs/dbraw/zinc/84/54/15/1371845415.db2.gz RUYFYVZNXNWPCW-APWZRJJASA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001208618793 1371845419 /nfs/dbraw/zinc/84/54/19/1371845419.db2.gz RUYFYVZNXNWPCW-APWZRJJASA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001208618793 1371845423 /nfs/dbraw/zinc/84/54/23/1371845423.db2.gz RUYFYVZNXNWPCW-APWZRJJASA-N 2 1 339.524 3.050 20 0 EGADMP Cn1cc(C[N@H+]2CCCC23CC[NH+](CCC2CCCC2)CC3)cn1 ZINC001208694498 1371864162 /nfs/dbraw/zinc/86/41/62/1371864162.db2.gz YPYYBLDTUGCWEB-UHFFFAOYSA-N 2 1 330.520 3.431 20 0 EGADMP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001121193384 1371885574 /nfs/dbraw/zinc/88/55/74/1371885574.db2.gz BADVZCDBEXAAHZ-MBEFBZSESA-N 2 1 349.563 3.458 20 0 EGADMP c1csc(C[N@@H+]2CCOC3(CC[NH+](C[C@@H]4CCC=CO4)CC3)C2)c1 ZINC001208881865 1371930703 /nfs/dbraw/zinc/93/07/03/1371930703.db2.gz YWEZEWWZOSKSJY-KRWDZBQOSA-N 2 1 348.512 3.108 20 0 EGADMP c1csc(C[N@H+]2CCOC3(CC[NH+](C[C@@H]4CCC=CO4)CC3)C2)c1 ZINC001208881865 1371930705 /nfs/dbraw/zinc/93/07/05/1371930705.db2.gz YWEZEWWZOSKSJY-KRWDZBQOSA-N 2 1 348.512 3.108 20 0 EGADMP C[C@H](C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1)C(F)(F)F ZINC001208893480 1371934715 /nfs/dbraw/zinc/93/47/15/1371934715.db2.gz WMDBPUZMGOXLFZ-CQSZACIVSA-N 2 1 344.425 3.049 20 0 EGADMP C[C@H](C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1)C(F)(F)F ZINC001208893480 1371934720 /nfs/dbraw/zinc/93/47/20/1371934720.db2.gz WMDBPUZMGOXLFZ-CQSZACIVSA-N 2 1 344.425 3.049 20 0 EGADMP OCC[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208927636 1371948199 /nfs/dbraw/zinc/94/81/99/1371948199.db2.gz AYPSHGPTGYJAEF-JOCHJYFZSA-N 2 1 338.495 3.393 20 0 EGADMP OCC[NH+](Cc1ccccc1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208927636 1371948200 /nfs/dbraw/zinc/94/82/00/1371948200.db2.gz AYPSHGPTGYJAEF-JOCHJYFZSA-N 2 1 338.495 3.393 20 0 EGADMP OCC[NH+](Cc1ccccc1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208927636 1371948205 /nfs/dbraw/zinc/94/82/05/1371948205.db2.gz AYPSHGPTGYJAEF-JOCHJYFZSA-N 2 1 338.495 3.393 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC[C@H]4CCCO[C@H]4C3)C2)cc1 ZINC001208931025 1371950886 /nfs/dbraw/zinc/95/08/86/1371950886.db2.gz GYWZGWJPPDXAPX-HBMCJLEFSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC[C@H]4CCCO[C@H]4C3)C2)cc1 ZINC001208931025 1371950888 /nfs/dbraw/zinc/95/08/88/1371950888.db2.gz GYWZGWJPPDXAPX-HBMCJLEFSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CC[C@H]4CCCO[C@H]4C3)C2)cc1 ZINC001208931025 1371950890 /nfs/dbraw/zinc/95/08/90/1371950890.db2.gz GYWZGWJPPDXAPX-HBMCJLEFSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CCC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC001208938086 1371955028 /nfs/dbraw/zinc/95/50/28/1371955028.db2.gz WUNNNDNWHHAMTN-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](CN3CCC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC001208938086 1371955031 /nfs/dbraw/zinc/95/50/31/1371955031.db2.gz WUNNNDNWHHAMTN-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](CN3CCC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC001208938086 1371955033 /nfs/dbraw/zinc/95/50/33/1371955033.db2.gz WUNNNDNWHHAMTN-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP CCOC(=O)CC1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208940761 1371955713 /nfs/dbraw/zinc/95/57/13/1371955713.db2.gz GJSDNLWGRLRPDD-HXUWFJFHSA-N 2 1 344.499 3.174 20 0 EGADMP CC[N@H+]1CCN(C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001208949444 1371960960 /nfs/dbraw/zinc/96/09/60/1371960960.db2.gz VKUKFXSVWWHYGV-HXUWFJFHSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001208949444 1371960965 /nfs/dbraw/zinc/96/09/65/1371960965.db2.gz VKUKFXSVWWHYGV-HXUWFJFHSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001208949444 1371960968 /nfs/dbraw/zinc/96/09/68/1371960968.db2.gz VKUKFXSVWWHYGV-HXUWFJFHSA-N 2 1 329.532 3.315 20 0 EGADMP COCOCCC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001209032373 1371979082 /nfs/dbraw/zinc/97/90/82/1371979082.db2.gz RZEIMENWWDSOCC-UHFFFAOYSA-N 2 1 340.895 3.247 20 0 EGADMP COCOCCC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001209032373 1371979084 /nfs/dbraw/zinc/97/90/84/1371979084.db2.gz RZEIMENWWDSOCC-UHFFFAOYSA-N 2 1 340.895 3.247 20 0 EGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(CCCc1cccnc1)[C@@H]2C ZINC001209173702 1372024687 /nfs/dbraw/zinc/02/46/87/1372024687.db2.gz GZMJYYFYNOEXLR-QGZVFWFLSA-N 2 1 341.503 3.128 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH2+]CCCC(C)(C)C)C2)CC[N@H+]1C ZINC001209250901 1372051166 /nfs/dbraw/zinc/05/11/66/1372051166.db2.gz JCJGKNYFGVFQKH-BZSNNMDCSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](CC3Cc4ccccc4C3)C2)C1 ZINC001209320446 1372067614 /nfs/dbraw/zinc/06/76/14/1372067614.db2.gz VRAQPWXIJHSRBT-JOCHJYFZSA-N 2 1 342.527 3.224 20 0 EGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](CC3Cc4ccccc4C3)C2)C1 ZINC001209320446 1372067618 /nfs/dbraw/zinc/06/76/18/1372067618.db2.gz VRAQPWXIJHSRBT-JOCHJYFZSA-N 2 1 342.527 3.224 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](CC3Cc4ccccc4C3)C2)C1 ZINC001209320446 1372067622 /nfs/dbraw/zinc/06/76/22/1372067622.db2.gz VRAQPWXIJHSRBT-JOCHJYFZSA-N 2 1 342.527 3.224 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](CC3Cc4ccccc4C3)C2)C1 ZINC001209320446 1372067630 /nfs/dbraw/zinc/06/76/30/1372067630.db2.gz VRAQPWXIJHSRBT-JOCHJYFZSA-N 2 1 342.527 3.224 20 0 EGADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001209414377 1372099061 /nfs/dbraw/zinc/09/90/61/1372099061.db2.gz LVQOJIFOTUWLTQ-DBOLQNLKSA-N 2 1 332.532 3.103 20 0 EGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001209414377 1372099065 /nfs/dbraw/zinc/09/90/65/1372099065.db2.gz LVQOJIFOTUWLTQ-DBOLQNLKSA-N 2 1 332.532 3.103 20 0 EGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001209414377 1372099066 /nfs/dbraw/zinc/09/90/66/1372099066.db2.gz LVQOJIFOTUWLTQ-DBOLQNLKSA-N 2 1 332.532 3.103 20 0 EGADMP O=C(OCc1ccccc1)[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209453009 1372110607 /nfs/dbraw/zinc/11/06/07/1372110607.db2.gz CBTHNQHUIADPOP-HXUWFJFHSA-N 2 1 344.499 3.318 20 0 EGADMP O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209453009 1372110610 /nfs/dbraw/zinc/11/06/10/1372110610.db2.gz CBTHNQHUIADPOP-HXUWFJFHSA-N 2 1 344.499 3.318 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]([NH3+])C1CCCCC1 ZINC001326408792 1388180400 /nfs/dbraw/zinc/18/04/00/1388180400.db2.gz OGHAVDMKTUFNHG-LJQANCHMSA-N 2 1 331.504 3.051 20 0 EGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cncs3)C[C@H]21 ZINC001209549458 1372134351 /nfs/dbraw/zinc/13/43/51/1372134351.db2.gz USICJKNUXTWPJM-KFKAGJAMSA-N 2 1 342.512 3.271 20 0 EGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cncs3)C[C@H]21 ZINC001209549458 1372134353 /nfs/dbraw/zinc/13/43/53/1372134353.db2.gz USICJKNUXTWPJM-KFKAGJAMSA-N 2 1 342.512 3.271 20 0 EGADMP Cn1nc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c2ccccc21 ZINC001209583119 1372142531 /nfs/dbraw/zinc/14/25/31/1372142531.db2.gz GAASXGMIJLTMDA-IRXDYDNUSA-N 2 1 326.488 3.412 20 0 EGADMP Cn1nc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c2ccccc21 ZINC001209583119 1372142533 /nfs/dbraw/zinc/14/25/33/1372142533.db2.gz GAASXGMIJLTMDA-IRXDYDNUSA-N 2 1 326.488 3.412 20 0 EGADMP Cn1nc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c2ccccc21 ZINC001209583119 1372142536 /nfs/dbraw/zinc/14/25/36/1372142536.db2.gz GAASXGMIJLTMDA-IRXDYDNUSA-N 2 1 326.488 3.412 20 0 EGADMP Cn1nc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c2ccccc21 ZINC001209583119 1372142538 /nfs/dbraw/zinc/14/25/38/1372142538.db2.gz GAASXGMIJLTMDA-IRXDYDNUSA-N 2 1 326.488 3.412 20 0 EGADMP COc1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC001209641350 1372159770 /nfs/dbraw/zinc/15/97/70/1372159770.db2.gz ZKTOLJKIDUHRLB-UHFFFAOYSA-N 2 1 339.483 3.434 20 0 EGADMP Cc1nc2ccccn2c1C[N@@H+](C1CCCC1)C1CCN(C)CC1 ZINC001209653176 1372162392 /nfs/dbraw/zinc/16/23/92/1372162392.db2.gz MHZJGEDJNJOTCJ-UHFFFAOYSA-N 2 1 326.488 3.482 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+][C@@H](C)c1ccccc1)C2 ZINC001122106515 1372175560 /nfs/dbraw/zinc/17/55/60/1372175560.db2.gz KOIQSGIEIAOYHB-GICSWVMSSA-N 2 1 343.515 3.106 20 0 EGADMP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001209733599 1372179107 /nfs/dbraw/zinc/17/91/07/1372179107.db2.gz NZMZZZKOWYKGCL-MRXNPFEDSA-N 2 1 346.272 3.464 20 0 EGADMP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001209733599 1372179110 /nfs/dbraw/zinc/17/91/10/1372179110.db2.gz NZMZZZKOWYKGCL-MRXNPFEDSA-N 2 1 346.272 3.464 20 0 EGADMP [NH3+]CC[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c2ccccc21 ZINC001122194141 1372198877 /nfs/dbraw/zinc/19/88/77/1372198877.db2.gz NWLVMAHRHIUFJN-GHTZIAJQSA-N 2 1 349.478 3.130 20 0 EGADMP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001122231089 1372206767 /nfs/dbraw/zinc/20/67/67/1372206767.db2.gz CKNMPIDJIZXZCF-OOHKROOZSA-N 2 1 347.547 3.233 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001122248083 1372211958 /nfs/dbraw/zinc/21/19/58/1372211958.db2.gz FCTQVPZNWNYAQI-BQYQJAHWSA-N 2 1 335.536 3.090 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001209932207 1372234836 /nfs/dbraw/zinc/23/48/36/1372234836.db2.gz PODMDFDOLWADIR-KRWDZBQOSA-N 2 1 348.535 3.413 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1C[NH+](CCC(C)C)C[C@H]1C)c1ccccc1 ZINC001210243137 1372302528 /nfs/dbraw/zinc/30/25/28/1372302528.db2.gz GCOSNIWOKZPURQ-MISYRCLQSA-N 2 1 345.531 3.162 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1C[NH+](CCC(C)C)C[C@H]1C)c1ccccc1 ZINC001210243137 1372302530 /nfs/dbraw/zinc/30/25/30/1372302530.db2.gz GCOSNIWOKZPURQ-MISYRCLQSA-N 2 1 345.531 3.162 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C)c1ccccc1 ZINC001210243137 1372302535 /nfs/dbraw/zinc/30/25/35/1372302535.db2.gz GCOSNIWOKZPURQ-MISYRCLQSA-N 2 1 345.531 3.162 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C)c1ccccc1 ZINC001210243137 1372302542 /nfs/dbraw/zinc/30/25/42/1372302542.db2.gz GCOSNIWOKZPURQ-MISYRCLQSA-N 2 1 345.531 3.162 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](CCC(C)C)C[C@H]1C)c1ccccc1 ZINC001210243139 1372302935 /nfs/dbraw/zinc/30/29/35/1372302935.db2.gz GCOSNIWOKZPURQ-RLLQIKCJSA-N 2 1 345.531 3.162 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](CCC(C)C)C[C@H]1C)c1ccccc1 ZINC001210243139 1372302939 /nfs/dbraw/zinc/30/29/39/1372302939.db2.gz GCOSNIWOKZPURQ-RLLQIKCJSA-N 2 1 345.531 3.162 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C)c1ccccc1 ZINC001210243139 1372302945 /nfs/dbraw/zinc/30/29/45/1372302945.db2.gz GCOSNIWOKZPURQ-RLLQIKCJSA-N 2 1 345.531 3.162 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C)c1ccccc1 ZINC001210243139 1372302951 /nfs/dbraw/zinc/30/29/51/1372302951.db2.gz GCOSNIWOKZPURQ-RLLQIKCJSA-N 2 1 345.531 3.162 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)c2ccccc2C)C[C@H]1C ZINC001210485399 1372364482 /nfs/dbraw/zinc/36/44/82/1372364482.db2.gz JIWZVOSZPUGWNP-WSTZPKSXSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2C)C[C@H]1C ZINC001210485399 1372364488 /nfs/dbraw/zinc/36/44/88/1372364488.db2.gz JIWZVOSZPUGWNP-WSTZPKSXSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccccc2C)C[C@H]1C ZINC001210485399 1372364490 /nfs/dbraw/zinc/36/44/90/1372364490.db2.gz JIWZVOSZPUGWNP-WSTZPKSXSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001210774318 1372424343 /nfs/dbraw/zinc/42/43/43/1372424343.db2.gz RUJALXNCEJHUHA-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211269496 1372517429 /nfs/dbraw/zinc/51/74/29/1372517429.db2.gz RQZIMYHBYBUCTF-BGEOSOQGSA-N 2 1 343.515 3.226 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1)c1ccccc1 ZINC001211269976 1372517516 /nfs/dbraw/zinc/51/75/16/1372517516.db2.gz WPLWERFEHCAXQC-MOPGFXCFSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001211278685 1372518896 /nfs/dbraw/zinc/51/88/96/1372518896.db2.gz UCDDVWOAOXNWIS-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1cc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c(F)cc1F ZINC001212145608 1372663960 /nfs/dbraw/zinc/66/39/60/1372663960.db2.gz YLNIGHLCNSSHTA-HNNXBMFYSA-N 2 1 338.402 3.491 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)C)C1 ZINC001214662087 1373098654 /nfs/dbraw/zinc/09/86/54/1373098654.db2.gz TVNHESONBVONMM-FGTMMUONSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CC[NH+](C)C2CC2)c1 ZINC001127538213 1373137207 /nfs/dbraw/zinc/13/72/07/1373137207.db2.gz DQHFOGBMVRTCPD-IBGZPJMESA-N 2 1 329.488 3.135 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC001127538213 1373137212 /nfs/dbraw/zinc/13/72/12/1373137212.db2.gz DQHFOGBMVRTCPD-IBGZPJMESA-N 2 1 329.488 3.135 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC001127538213 1373137215 /nfs/dbraw/zinc/13/72/15/1373137215.db2.gz DQHFOGBMVRTCPD-IBGZPJMESA-N 2 1 329.488 3.135 20 0 EGADMP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326584287 1388248150 /nfs/dbraw/zinc/24/81/50/1388248150.db2.gz VBKHULBGKHVTSN-QZTJIDSGSA-N 2 1 343.515 3.026 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001188140150 1388248357 /nfs/dbraw/zinc/24/83/57/1388248357.db2.gz ZBPJSWIKZKUTBC-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001216323589 1373300080 /nfs/dbraw/zinc/30/00/80/1373300080.db2.gz HTIVYOAZRCZTQO-CNQOUZKXSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001216511356 1373313014 /nfs/dbraw/zinc/31/30/14/1373313014.db2.gz PEQARAQNOJTVFN-QWFCFKBJSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001129421768 1373382315 /nfs/dbraw/zinc/38/23/15/1373382315.db2.gz BSPCHWHXWDKPCC-MOPGFXCFSA-N 2 1 345.531 3.333 20 0 EGADMP [NH3+][C@@H](CC(F)(F)F)c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217741974 1373498289 /nfs/dbraw/zinc/49/82/89/1373498289.db2.gz FYKVMMQVLQESJC-STQMWFEESA-N 2 1 340.349 3.011 20 0 EGADMP [NH3+][C@@H](CC(F)(F)F)c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217741974 1373498291 /nfs/dbraw/zinc/49/82/91/1373498291.db2.gz FYKVMMQVLQESJC-STQMWFEESA-N 2 1 340.349 3.011 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CO[C@H]3CCC[C@]34CC[NH2+]C4)C2)cc1 ZINC001217803135 1373502340 /nfs/dbraw/zinc/50/23/40/1373502340.db2.gz PNRIDVGEHOMYEA-PCCBWWKXSA-N 2 1 328.500 3.447 20 0 EGADMP c1ccc(C[N@@H+]2CCc3nc(O[C@H]4CCCC[NH2+]C4)ccc3C2)cc1 ZINC001217971711 1373522759 /nfs/dbraw/zinc/52/27/59/1373522759.db2.gz OMOQIXZKFDAAGI-IBGZPJMESA-N 2 1 337.467 3.161 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(O[C@H]4CCCC[NH2+]C4)ccc3C2)cc1 ZINC001217971711 1373522762 /nfs/dbraw/zinc/52/27/62/1373522762.db2.gz OMOQIXZKFDAAGI-IBGZPJMESA-N 2 1 337.467 3.161 20 0 EGADMP C[NH+](C)Cc1cc(O[C@H]2CCC[NH2+]CC2)ccc1Br ZINC001217995453 1373530551 /nfs/dbraw/zinc/53/05/51/1373530551.db2.gz QBXNHXBJMFZOLD-ZDUSSCGKSA-N 2 1 327.266 3.032 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]C/C=C/c1ccccc1 ZINC001130615631 1373571232 /nfs/dbraw/zinc/57/12/32/1373571232.db2.gz ORBLQVNQLFMPBH-FMIVXFBMSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218334738 1373599350 /nfs/dbraw/zinc/59/93/50/1373599350.db2.gz FSDVYHLESLUSLS-UZLBHIALSA-N 2 1 337.467 3.017 20 0 EGADMP CC[C@]1(c2cccc(OCCO[C@@H]3CC[NH2+]C3)c2)CCCC[N@@H+](C)C1 ZINC001218388287 1373605167 /nfs/dbraw/zinc/60/51/67/1373605167.db2.gz QGUXAMYBBMADPC-RTWAWAEBSA-N 2 1 346.515 3.207 20 0 EGADMP C[C@@H]([NH3+])c1ncc(C(=O)Nc2ccc(C3CC[NH+](C)CC3)cc2)s1 ZINC001218822539 1373658004 /nfs/dbraw/zinc/65/80/04/1373658004.db2.gz MFZFTOCUADOJAW-GFCCVEGCSA-N 2 1 344.484 3.224 20 0 EGADMP CC1(C)C[NH2+]C[C@H]1C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001218846654 1373660275 /nfs/dbraw/zinc/66/02/75/1373660275.db2.gz AFTOCGNTBXFSAT-FQEVSTJZSA-N 2 1 349.478 3.387 20 0 EGADMP CC1(C)C[NH2+]C[C@H]1C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001218846654 1373660277 /nfs/dbraw/zinc/66/02/77/1373660277.db2.gz AFTOCGNTBXFSAT-FQEVSTJZSA-N 2 1 349.478 3.387 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001188246348 1388274973 /nfs/dbraw/zinc/27/49/73/1388274973.db2.gz JEIJEODEHGOXNW-IPMKNSEASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001188246348 1388274975 /nfs/dbraw/zinc/27/49/75/1388274975.db2.gz JEIJEODEHGOXNW-IPMKNSEASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001188246348 1388274981 /nfs/dbraw/zinc/27/49/81/1388274981.db2.gz JEIJEODEHGOXNW-IPMKNSEASA-N 2 1 349.563 3.220 20 0 EGADMP CN(C)c1cc(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)cc[nH+]1 ZINC001219713596 1373729410 /nfs/dbraw/zinc/72/94/10/1373729410.db2.gz YDQBEMCVDAMOOI-UHFFFAOYSA-N 2 1 347.507 3.314 20 0 EGADMP C[NH+]1CCC(CC(=O)N2C[C@H]3CC[N@@H+](CCCC(C)(C)C)C[C@H]32)CC1 ZINC001221848872 1373798525 /nfs/dbraw/zinc/79/85/25/1373798525.db2.gz KBPWAKUGKVNLTI-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CCC(=O)NCC[NH2+]CC1CCC2(CC2)CC1)C1CCCCC1 ZINC001131818885 1373820447 /nfs/dbraw/zinc/82/04/47/1373820447.db2.gz DYWICDLNJLCPOA-UHFFFAOYSA-N 2 1 349.563 3.317 20 0 EGADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222401560 1373838219 /nfs/dbraw/zinc/83/82/19/1373838219.db2.gz WMOFYPKNTYAPPH-UHFFFAOYSA-N 2 1 332.532 3.295 20 0 EGADMP c1ccc(Oc2ccccc2CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222497512 1373849829 /nfs/dbraw/zinc/84/98/29/1373849829.db2.gz NTILZDCQEADTGQ-PMACEKPBSA-N 2 1 337.467 3.005 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001225087458 1375092449 /nfs/dbraw/zinc/09/24/49/1375092449.db2.gz FUIPPYSHMQUACY-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001225246009 1375099454 /nfs/dbraw/zinc/09/94/54/1375099454.db2.gz ZPLGBEWHOUEJPN-UHFFFAOYSA-N 2 1 349.563 3.127 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCC1=CCCCC1 ZINC001132106790 1375151889 /nfs/dbraw/zinc/15/18/89/1375151889.db2.gz VKDWQEXYDWZUSW-HKUYNNGSSA-N 2 1 347.547 3.330 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CCCCC2)C1 ZINC001132152786 1375172964 /nfs/dbraw/zinc/17/29/64/1375172964.db2.gz IVHBIDXGVXQKCV-SJLPKXTDSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCCCC2)C1 ZINC001132152786 1375172969 /nfs/dbraw/zinc/17/29/69/1375172969.db2.gz IVHBIDXGVXQKCV-SJLPKXTDSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CCCCC2)C1 ZINC001132152786 1375172972 /nfs/dbraw/zinc/17/29/72/1375172972.db2.gz IVHBIDXGVXQKCV-SJLPKXTDSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccccc2F)C1 ZINC001132152677 1375173028 /nfs/dbraw/zinc/17/30/28/1375173028.db2.gz HIXFGCYUGAZMOS-NVXWUHKLSA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccccc2F)C1 ZINC001132152677 1375173030 /nfs/dbraw/zinc/17/30/30/1375173030.db2.gz HIXFGCYUGAZMOS-NVXWUHKLSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2F)C1 ZINC001132152677 1375173034 /nfs/dbraw/zinc/17/30/34/1375173034.db2.gz HIXFGCYUGAZMOS-NVXWUHKLSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2F)C1 ZINC001132152677 1375173037 /nfs/dbraw/zinc/17/30/37/1375173037.db2.gz HIXFGCYUGAZMOS-NVXWUHKLSA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](CC2CC(C)(C)C2)C1 ZINC001132153138 1375173529 /nfs/dbraw/zinc/17/35/29/1375173529.db2.gz NRIJMKALRWNPOF-RDJZCZTQSA-N 2 1 337.552 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CC(C)(C)C2)C1 ZINC001132153138 1375173533 /nfs/dbraw/zinc/17/35/33/1375173533.db2.gz NRIJMKALRWNPOF-RDJZCZTQSA-N 2 1 337.552 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CC(C)(C)C2)C1 ZINC001132153138 1375173538 /nfs/dbraw/zinc/17/35/38/1375173538.db2.gz NRIJMKALRWNPOF-RDJZCZTQSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@H+]1CCCCCF ZINC001132173073 1375188009 /nfs/dbraw/zinc/18/80/09/1375188009.db2.gz HADOQNXYROONCF-NVXWUHKLSA-N 2 1 346.450 3.057 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@H+]1CC1CCC1 ZINC001132202046 1375205421 /nfs/dbraw/zinc/20/54/21/1375205421.db2.gz BJQFQXIRZBOYHY-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207224 1375209545 /nfs/dbraw/zinc/20/95/45/1375209545.db2.gz RJWJWKCCNLVBBS-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207224 1375209550 /nfs/dbraw/zinc/20/95/50/1375209550.db2.gz RJWJWKCCNLVBBS-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207224 1375209555 /nfs/dbraw/zinc/20/95/55/1375209555.db2.gz RJWJWKCCNLVBBS-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001226332816 1375241278 /nfs/dbraw/zinc/24/12/78/1375241278.db2.gz BBCWQYDEKOUPHS-WFPOREQPSA-N 2 1 335.536 3.090 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CC1CCCCCC1 ZINC001132270993 1375258708 /nfs/dbraw/zinc/25/87/08/1375258708.db2.gz YKWQJHFMUFYKOQ-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCc1ccccc1C[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132270263 1375258923 /nfs/dbraw/zinc/25/89/23/1375258923.db2.gz RNYUZMJCJOANFG-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CC(C)c1ccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)cc1 ZINC001132274475 1375260234 /nfs/dbraw/zinc/26/02/34/1375260234.db2.gz UVPVJIYMZLFWCU-PXNSSMCTSA-N 2 1 345.531 3.231 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132277456 1375261043 /nfs/dbraw/zinc/26/10/43/1375261043.db2.gz HGCXRYOUEMWDRN-HKUYNNGSSA-N 2 1 345.531 3.231 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)C ZINC001226613810 1375292409 /nfs/dbraw/zinc/29/24/09/1375292409.db2.gz KUPUGPYSQVGCNX-QRVBRYPASA-N 2 1 337.552 3.314 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001132409554 1375358383 /nfs/dbraw/zinc/35/83/83/1375358383.db2.gz AWFRNRFGEDKZPA-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132409554 1375358387 /nfs/dbraw/zinc/35/83/87/1375358387.db2.gz AWFRNRFGEDKZPA-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132409554 1375358393 /nfs/dbraw/zinc/35/83/93/1375358393.db2.gz AWFRNRFGEDKZPA-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001132425988 1375373424 /nfs/dbraw/zinc/37/34/24/1375373424.db2.gz QHURUDWWYCECAZ-DLBZAZTESA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001132425988 1375373430 /nfs/dbraw/zinc/37/34/30/1375373430.db2.gz QHURUDWWYCECAZ-DLBZAZTESA-N 2 1 346.519 3.167 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CCC1CCCC1 ZINC001132434642 1375380176 /nfs/dbraw/zinc/38/01/76/1375380176.db2.gz ZWYDFCOPHCUYCB-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CCC2CCCC2)C1 ZINC001132436791 1375380926 /nfs/dbraw/zinc/38/09/26/1375380926.db2.gz OHUWIUYYKSPYIK-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2CCCC2)C1 ZINC001132436791 1375380932 /nfs/dbraw/zinc/38/09/32/1375380932.db2.gz OHUWIUYYKSPYIK-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC2CCCC2)C1 ZINC001132436791 1375380934 /nfs/dbraw/zinc/38/09/34/1375380934.db2.gz OHUWIUYYKSPYIK-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CC3(CCC3)C2)C1 ZINC001132436382 1375381755 /nfs/dbraw/zinc/38/17/55/1375381755.db2.gz LCAFGVGNXKYMMJ-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CC3(CCC3)C2)C1 ZINC001132436382 1375381762 /nfs/dbraw/zinc/38/17/62/1375381762.db2.gz LCAFGVGNXKYMMJ-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001132436382 1375381764 /nfs/dbraw/zinc/38/17/64/1375381764.db2.gz LCAFGVGNXKYMMJ-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cc(C)ccc2C)C1 ZINC001132437156 1375382084 /nfs/dbraw/zinc/38/20/84/1375382084.db2.gz QWPAVOUAQDHMIR-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(C)ccc2C)C1 ZINC001132437156 1375382085 /nfs/dbraw/zinc/38/20/85/1375382085.db2.gz QWPAVOUAQDHMIR-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001132437156 1375382086 /nfs/dbraw/zinc/38/20/86/1375382086.db2.gz QWPAVOUAQDHMIR-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001227083853 1375386395 /nfs/dbraw/zinc/38/63/95/1375386395.db2.gz ZCBVRLNSENTVRR-GUDVDZBRSA-N 2 1 335.536 3.068 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1C ZINC001327089793 1388375679 /nfs/dbraw/zinc/37/56/79/1388375679.db2.gz NZDUBGSKXROMGU-KRWDZBQOSA-N 2 1 329.488 3.096 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1CC[NH+](CC2CC(C)C2)CC1 ZINC001227464538 1375433215 /nfs/dbraw/zinc/43/32/15/1375433215.db2.gz LEZVCFAYSAKXOJ-CGZBRXJRSA-N 2 1 346.519 3.023 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132517290 1375435496 /nfs/dbraw/zinc/43/54/96/1375435496.db2.gz AOZAUQOSSIAMIL-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP CCc1ccccc1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132521235 1375438291 /nfs/dbraw/zinc/43/82/91/1375438291.db2.gz ABRPLADUWGUCGW-PXNSSMCTSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1ccccc1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132521235 1375438296 /nfs/dbraw/zinc/43/82/96/1375438296.db2.gz ABRPLADUWGUCGW-PXNSSMCTSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1ccccc1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132521235 1375438302 /nfs/dbraw/zinc/43/83/02/1375438302.db2.gz ABRPLADUWGUCGW-PXNSSMCTSA-N 2 1 345.531 3.058 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132522770 1375439501 /nfs/dbraw/zinc/43/95/01/1375439501.db2.gz SAWABBYIZFUCLW-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001132522770 1375439504 /nfs/dbraw/zinc/43/95/04/1375439504.db2.gz SAWABBYIZFUCLW-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001132522770 1375439506 /nfs/dbraw/zinc/43/95/06/1375439506.db2.gz SAWABBYIZFUCLW-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132526103 1375442338 /nfs/dbraw/zinc/44/23/38/1375442338.db2.gz YGPDSKQUAIZBBM-XOIGSVRCSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)CC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548806 1375455997 /nfs/dbraw/zinc/45/59/97/1375455997.db2.gz JGSPYFHJPXCQMS-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CC1CCC(C[NH+]2CCC(NC(=O)CC[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001227877756 1375486028 /nfs/dbraw/zinc/48/60/28/1375486028.db2.gz YDFIGXXYOFVPGC-AFMYVXGZSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC1CC[NH+](CCCC2CCC2)CC1 ZINC001227877783 1375486108 /nfs/dbraw/zinc/48/61/08/1375486108.db2.gz YXBOFCUNEQTRMN-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](c1cccc(OC[C@@H]2C[N@H+](C)CCO2)c1)[C@@H](C)C[NH+](C)C ZINC001228897880 1375708966 /nfs/dbraw/zinc/70/89/66/1375708966.db2.gz YSGSFOPWKKMQKV-FFZOFVMBSA-N 2 1 334.504 3.087 20 0 EGADMP CC[C@@H](c1cccc(OC[C@@H]2C[N@@H+](C)CCO2)c1)[C@@H](C)C[NH+](C)C ZINC001228897880 1375708984 /nfs/dbraw/zinc/70/89/84/1375708984.db2.gz YSGSFOPWKKMQKV-FFZOFVMBSA-N 2 1 334.504 3.087 20 0 EGADMP CC(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133141153 1375802111 /nfs/dbraw/zinc/80/21/11/1375802111.db2.gz ASGVYALSPXWHAW-MSOLQXFVSA-N 2 1 348.535 3.127 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C ZINC001229524712 1375851661 /nfs/dbraw/zinc/85/16/61/1375851661.db2.gz REAXMURPXJQQMD-IAGOWNOFSA-N 2 1 325.541 3.172 20 0 EGADMP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001229651456 1375871915 /nfs/dbraw/zinc/87/19/15/1375871915.db2.gz BNPNIOHVTYTWMN-AQNXPRMDSA-N 2 1 345.531 3.497 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133274861 1375890188 /nfs/dbraw/zinc/89/01/88/1375890188.db2.gz NJBNIEGKZSOUOC-TYFAACHXSA-N 2 1 337.552 3.149 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cc1 ZINC001229852857 1375904101 /nfs/dbraw/zinc/90/41/01/1375904101.db2.gz MRDMKAZBJPAPOY-WOJBJXKFSA-N 2 1 345.531 3.244 20 0 EGADMP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC001230274784 1375980767 /nfs/dbraw/zinc/98/07/67/1375980767.db2.gz LGTBJWOYVPHFQT-VAMGGRTRSA-N 2 1 345.531 3.495 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001230286187 1375984570 /nfs/dbraw/zinc/98/45/70/1375984570.db2.gz FDLKGIMLPXUKGE-VAMGGRTRSA-N 2 1 345.531 3.497 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC[NH2+]C(C)C)Cc1cccc(Cl)c1 ZINC001133410686 1375993471 /nfs/dbraw/zinc/99/34/71/1375993471.db2.gz VHZQASRCQMJQFM-UHFFFAOYSA-N 2 1 339.911 3.008 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230506690 1376044240 /nfs/dbraw/zinc/04/42/40/1376044240.db2.gz BTEADRPXYRSHBU-AUUYWEPGSA-N 2 1 336.439 3.435 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230506690 1376044246 /nfs/dbraw/zinc/04/42/46/1376044246.db2.gz BTEADRPXYRSHBU-AUUYWEPGSA-N 2 1 336.439 3.435 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230506690 1376044257 /nfs/dbraw/zinc/04/42/57/1376044257.db2.gz BTEADRPXYRSHBU-AUUYWEPGSA-N 2 1 336.439 3.435 20 0 EGADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230518956 1376051352 /nfs/dbraw/zinc/05/13/52/1376051352.db2.gz WHEYXBNLBQMPHO-HIFRSBDPSA-N 2 1 337.427 3.145 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230598786 1376094453 /nfs/dbraw/zinc/09/44/53/1376094453.db2.gz YYOFSUQDYRJQSI-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC2CC(C)C2)CC1 ZINC001230611148 1376100488 /nfs/dbraw/zinc/10/04/88/1376100488.db2.gz NSUUTQIZQXIDOW-AFMYVXGZSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012349 1376383062 /nfs/dbraw/zinc/38/30/62/1376383062.db2.gz ZNWBXSNRKGLRTA-AWEZNQCLSA-N 2 1 344.459 3.252 20 0 EGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012349 1376383065 /nfs/dbraw/zinc/38/30/65/1376383065.db2.gz ZNWBXSNRKGLRTA-AWEZNQCLSA-N 2 1 344.459 3.252 20 0 EGADMP CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015651 1376384308 /nfs/dbraw/zinc/38/43/08/1376384308.db2.gz JXTFCUJFYLUJBU-INIZCTEOSA-N 2 1 344.459 3.442 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cnsc3)C[C@H]21 ZINC001232228141 1376419173 /nfs/dbraw/zinc/41/91/73/1376419173.db2.gz MRHPNSXVIMQXCF-QXAKKESOSA-N 2 1 342.512 3.271 20 0 EGADMP Cc1nc(N)ccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001232339085 1376444145 /nfs/dbraw/zinc/44/41/45/1376444145.db2.gz OLGCNVOUIFZYGB-UHFFFAOYSA-N 2 1 340.471 3.053 20 0 EGADMP Nc1ccc(F)cc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001232510556 1376471083 /nfs/dbraw/zinc/47/10/83/1376471083.db2.gz ZQWZOKGGQNVLFX-UHFFFAOYSA-N 2 1 343.446 3.489 20 0 EGADMP CCOC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001232596272 1376486284 /nfs/dbraw/zinc/48/62/84/1376486284.db2.gz SBHIOBMUHKLWHU-UHFFFAOYSA-N 2 1 338.879 3.290 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001134773394 1376713651 /nfs/dbraw/zinc/71/36/51/1376713651.db2.gz OHRJFDCCWFNADG-QZTJIDSGSA-N 2 1 347.547 3.407 20 0 EGADMP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134791375 1376724281 /nfs/dbraw/zinc/72/42/81/1376724281.db2.gz RALOFJBNLFMPOJ-IAGOWNOFSA-N 2 1 337.552 3.479 20 0 EGADMP CC[NH+](CC)CCOc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001134903329 1376778201 /nfs/dbraw/zinc/77/82/01/1376778201.db2.gz FQQYSGPJOYPIKZ-IBGZPJMESA-N 2 1 347.503 3.219 20 0 EGADMP Fc1ccc(-c2cccc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c2)cc1 ZINC001235036586 1376834023 /nfs/dbraw/zinc/83/40/23/1376834023.db2.gz LTPROXYUEILSQB-TZIWHRDSSA-N 2 1 340.442 3.303 20 0 EGADMP COc1ccc2[nH]cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235431110 1376871571 /nfs/dbraw/zinc/87/15/71/1376871571.db2.gz UQILFCRQBGJZDJ-JKSUJKDBSA-N 2 1 327.472 3.388 20 0 EGADMP c1ccc2c(c1)[C@@H]1C[N@@H+](C[C@@H]3CCCC[NH2+]3)C[C@@H]1[C@@H]2OCC1CC1 ZINC001235630588 1376879889 /nfs/dbraw/zinc/87/98/89/1376879889.db2.gz DSBIHZKITILWRX-LRGNLBRXSA-N 2 1 326.484 3.325 20 0 EGADMP c1ccc2c(c1)[C@@H]1C[N@H+](C[C@@H]3CCCC[NH2+]3)C[C@@H]1[C@@H]2OCC1CC1 ZINC001235630588 1376879896 /nfs/dbraw/zinc/87/98/96/1376879896.db2.gz DSBIHZKITILWRX-LRGNLBRXSA-N 2 1 326.484 3.325 20 0 EGADMP CCOc1cc(Br)cc(C[N@@H+](CC)C2CC[NH2+]CC2)c1 ZINC001235764503 1376890105 /nfs/dbraw/zinc/89/01/05/1376890105.db2.gz HMIUZYUEGXWGIY-UHFFFAOYSA-N 2 1 341.293 3.422 20 0 EGADMP COCC[N@H+](Cc1ccc(OC(C)C)c(Cl)c1)C1CC[NH2+]CC1 ZINC001235944406 1376919861 /nfs/dbraw/zinc/91/98/61/1376919861.db2.gz NKMLUPJDBFNGJP-UHFFFAOYSA-N 2 1 340.895 3.328 20 0 EGADMP COCC[N@@H+](Cc1ccc(OC(C)C)c(Cl)c1)C1CC[NH2+]CC1 ZINC001235944406 1376919867 /nfs/dbraw/zinc/91/98/67/1376919867.db2.gz NKMLUPJDBFNGJP-UHFFFAOYSA-N 2 1 340.895 3.328 20 0 EGADMP COCC[N@H+](Cc1ccc(OC(F)(F)F)cc1C)C1CC[NH2+]CC1 ZINC001235943442 1376920887 /nfs/dbraw/zinc/92/08/87/1376920887.db2.gz IPKFCRIZVGKUPX-UHFFFAOYSA-N 2 1 346.393 3.094 20 0 EGADMP COCC[N@@H+](Cc1ccc(OC(F)(F)F)cc1C)C1CC[NH2+]CC1 ZINC001235943442 1376920898 /nfs/dbraw/zinc/92/08/98/1376920898.db2.gz IPKFCRIZVGKUPX-UHFFFAOYSA-N 2 1 346.393 3.094 20 0 EGADMP COCC[N@H+](Cc1cc(C)ccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001235945047 1376922528 /nfs/dbraw/zinc/92/25/28/1376922528.db2.gz RGMRBBICSGHXLH-UHFFFAOYSA-N 2 1 330.394 3.214 20 0 EGADMP COCC[N@@H+](Cc1cc(C)ccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001235945047 1376922531 /nfs/dbraw/zinc/92/25/31/1376922531.db2.gz RGMRBBICSGHXLH-UHFFFAOYSA-N 2 1 330.394 3.214 20 0 EGADMP COCC[N@H+](Cc1cc(C(C)C)c(OC)cc1C)C1CC[NH2+]CC1 ZINC001235946065 1376922806 /nfs/dbraw/zinc/92/28/06/1376922806.db2.gz ZZGOZLITNMLTBL-UHFFFAOYSA-N 2 1 334.504 3.327 20 0 EGADMP COCC[N@@H+](Cc1cc(C(C)C)c(OC)cc1C)C1CC[NH2+]CC1 ZINC001235946065 1376922811 /nfs/dbraw/zinc/92/28/11/1376922811.db2.gz ZZGOZLITNMLTBL-UHFFFAOYSA-N 2 1 334.504 3.327 20 0 EGADMP c1csc([C@@H]2C[NH2+]CCN2C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001236113778 1376933686 /nfs/dbraw/zinc/93/36/86/1376933686.db2.gz IUHDVKCXANUKMH-OALUTQOASA-N 2 1 341.524 3.217 20 0 EGADMP c1cc2c(cccc2C[N@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)o1 ZINC001236737356 1376963570 /nfs/dbraw/zinc/96/35/70/1376963570.db2.gz JOQIHTRMOUQSMD-HDICACEKSA-N 2 1 333.435 3.392 20 0 EGADMP CCC[N@@H+](Cc1ccc(-n2cccn2)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236844104 1376965569 /nfs/dbraw/zinc/96/55/69/1376965569.db2.gz SVZHVRWQYUVRSE-OAHLLOKOSA-N 2 1 332.879 3.347 20 0 EGADMP CCC[N@H+](Cc1ccc(-n2cccn2)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236844104 1376965577 /nfs/dbraw/zinc/96/55/77/1376965577.db2.gz SVZHVRWQYUVRSE-OAHLLOKOSA-N 2 1 332.879 3.347 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+][C@H](C)c1ccccc1Cl ZINC001135305436 1377028261 /nfs/dbraw/zinc/02/82/61/1377028261.db2.gz VJLGAKUPBBRXGG-CQSZACIVSA-N 2 1 348.878 3.092 20 0 EGADMP CC(C)CCNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246296560 1377050910 /nfs/dbraw/zinc/05/09/10/1377050910.db2.gz SANWSTJAQBWMQZ-BZSNNMDCSA-N 2 1 339.568 3.320 20 0 EGADMP c1ccc([C@@H]2CO[C@@]3(C2)CCC[N@H+](C2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)cc1 ZINC001246714772 1377053245 /nfs/dbraw/zinc/05/32/45/1377053245.db2.gz NFTGDGNJOFWJSP-FYKRDEHLSA-N 2 1 326.484 3.308 20 0 EGADMP c1csc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCC3(CC[NH2+]C3)CC2)c1 ZINC001246746739 1377054063 /nfs/dbraw/zinc/05/40/63/1377054063.db2.gz LPZMFAGTQXCCJT-OYBTXZFASA-N 2 1 345.556 3.319 20 0 EGADMP Fc1ccc(CN2CCC[N@H+]([C@H]3CCC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246822719 1377055346 /nfs/dbraw/zinc/05/53/46/1377055346.db2.gz MTHZEUMTERQXAS-SFTDATJTSA-N 2 1 345.506 3.256 20 0 EGADMP C[NH2+]C[C@H]1CCCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246939218 1377055835 /nfs/dbraw/zinc/05/58/35/1377055835.db2.gz QZNPZCROSXGSFG-PLACYPQZSA-N 2 1 327.516 3.256 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001135440597 1377098665 /nfs/dbraw/zinc/09/86/65/1377098665.db2.gz PHLNJHOFPMPNJH-SFHVURJKSA-N 2 1 333.520 3.274 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135481234 1377113931 /nfs/dbraw/zinc/11/39/31/1377113931.db2.gz RQLBBCBFFYVLEG-DLBZAZTESA-N 2 1 339.568 3.418 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135586151 1377155443 /nfs/dbraw/zinc/15/54/43/1377155443.db2.gz XHSNKWZUZKAJPY-CVEARBPZSA-N 2 1 336.524 3.316 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135974471 1377283907 /nfs/dbraw/zinc/28/39/07/1377283907.db2.gz PTYKKYWOEDNLHE-MOPGFXCFSA-N 2 1 347.547 3.408 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135980299 1377285859 /nfs/dbraw/zinc/28/58/59/1377285859.db2.gz NGRMFVFWABEAHK-IRXDYDNUSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC(C)(C)C ZINC001135995164 1377291766 /nfs/dbraw/zinc/29/17/66/1377291766.db2.gz AEPRCFIMTMIZGW-IRXDYDNUSA-N 2 1 327.557 3.418 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001135995626 1377292195 /nfs/dbraw/zinc/29/21/95/1377292195.db2.gz IRYWLPTYNLOBAZ-CVEARBPZSA-N 2 1 325.541 3.027 20 0 EGADMP CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1)[NH+](C)C ZINC001266653707 1377359864 /nfs/dbraw/zinc/35/98/64/1377359864.db2.gz QZMRCJDAJMHEEW-RAFMOHDBSA-N 2 1 347.547 3.185 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC001136640010 1377411779 /nfs/dbraw/zinc/41/17/79/1377411779.db2.gz IHJNSRUDQYJFGT-FQEVSTJZSA-N 2 1 349.563 3.223 20 0 EGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccccc2OC(C)C)CC1 ZINC001137140486 1377484795 /nfs/dbraw/zinc/48/47/95/1377484795.db2.gz BWTVUEJOVYWNJW-UHFFFAOYSA-N 2 1 325.456 3.499 20 0 EGADMP CC(C)[N@H+](C)CCC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001271790489 1377651828 /nfs/dbraw/zinc/65/18/28/1377651828.db2.gz LTCWDACUMNXILS-HXUWFJFHSA-N 2 1 345.531 3.258 20 0 EGADMP CC(C)[N@@H+](C)CCC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001271790489 1377651831 /nfs/dbraw/zinc/65/18/31/1377651831.db2.gz LTCWDACUMNXILS-HXUWFJFHSA-N 2 1 345.531 3.258 20 0 EGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cccc(Oc2ncccn2)c1 ZINC001138624016 1377756216 /nfs/dbraw/zinc/75/62/16/1377756216.db2.gz QRRPWZZXEBDMBO-UHFFFAOYSA-N 2 1 328.460 3.433 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(Oc2ncccn2)c1 ZINC001138624016 1377756217 /nfs/dbraw/zinc/75/62/17/1377756217.db2.gz QRRPWZZXEBDMBO-UHFFFAOYSA-N 2 1 328.460 3.433 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](C4CCCCC4)C3)s2)CC1 ZINC001139324076 1377868933 /nfs/dbraw/zinc/86/89/33/1377868933.db2.gz YTIZINXLNXOBSF-QGZVFWFLSA-N 2 1 348.560 3.297 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](C4CCCCC4)C3)s2)CC1 ZINC001139324076 1377868934 /nfs/dbraw/zinc/86/89/34/1377868934.db2.gz YTIZINXLNXOBSF-QGZVFWFLSA-N 2 1 348.560 3.297 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2N2CCOCC2)CC1 ZINC001139507458 1377894787 /nfs/dbraw/zinc/89/47/87/1377894787.db2.gz IVEDULGNGZREGH-UHFFFAOYSA-N 2 1 345.531 3.075 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCN(C)c2ncccc2C1 ZINC001140026509 1377991638 /nfs/dbraw/zinc/99/16/38/1377991638.db2.gz ZGDTWFUSGWALCM-UHFFFAOYSA-N 2 1 333.439 3.028 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCN(C)c2ncccc2C1 ZINC001140026509 1377991639 /nfs/dbraw/zinc/99/16/39/1377991639.db2.gz ZGDTWFUSGWALCM-UHFFFAOYSA-N 2 1 333.439 3.028 20 0 EGADMP c1ccc(C[NH+]2CCC3(CCC[N@@H+](Cc4ccncn4)C3)CC2)cc1 ZINC001140350075 1378050597 /nfs/dbraw/zinc/05/05/97/1378050597.db2.gz XFRGEVHHLLNGPI-UHFFFAOYSA-N 2 1 336.483 3.355 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cnc(-c4cccc(F)c4)s3)C[C@@H]2C1 ZINC001140415184 1378059854 /nfs/dbraw/zinc/05/98/54/1378059854.db2.gz VGZWBSDSNAMMCG-CABCVRRESA-N 2 1 331.460 3.333 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cnc(-c4cccc(F)c4)s3)C[C@@H]2C1 ZINC001140415184 1378059855 /nfs/dbraw/zinc/05/98/55/1378059855.db2.gz VGZWBSDSNAMMCG-CABCVRRESA-N 2 1 331.460 3.333 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cnc(-c4cccc(F)c4)s3)C[C@@H]2C1 ZINC001140415184 1378059859 /nfs/dbraw/zinc/05/98/59/1378059859.db2.gz VGZWBSDSNAMMCG-CABCVRRESA-N 2 1 331.460 3.333 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(Cc3ccc(Cl)cc3Br)C[C@@H]2C1 ZINC001140485425 1378070729 /nfs/dbraw/zinc/07/07/29/1378070729.db2.gz UYEVTMJNSGWJQE-YPMHNXCESA-N 2 1 343.696 3.486 20 0 EGADMP CCCC[C@H](CC)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC1)C2 ZINC001273363850 1378099843 /nfs/dbraw/zinc/09/98/43/1378099843.db2.gz QLVKDIZQNLOAPG-FPOVZHCZSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[C@H](CC)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC1)C2 ZINC001273363850 1378099845 /nfs/dbraw/zinc/09/98/45/1378099845.db2.gz QLVKDIZQNLOAPG-FPOVZHCZSA-N 2 1 349.563 3.223 20 0 EGADMP COC1CC[NH+](C2CC[NH+](Cc3cccc4ccncc43)CC2)CC1 ZINC001140648546 1378105736 /nfs/dbraw/zinc/10/57/36/1378105736.db2.gz DUEZQIYVTRSQBI-UHFFFAOYSA-N 2 1 339.483 3.310 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cc[nH]c1)CC2 ZINC001140705309 1378119363 /nfs/dbraw/zinc/11/93/63/1378119363.db2.gz HTHRUHXVZYHDOT-FQEVSTJZSA-N 2 1 339.483 3.270 20 0 EGADMP O=C1N[C@@H](c2ccccc2)C12CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140803981 1378143439 /nfs/dbraw/zinc/14/34/39/1378143439.db2.gz YDTGSVIFMDPAHJ-IBGZPJMESA-N 2 1 346.434 3.016 20 0 EGADMP CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140807371 1378147177 /nfs/dbraw/zinc/14/71/77/1378147177.db2.gz WSVYUFBCZWKBFC-HNNXBMFYSA-N 2 1 344.459 3.442 20 0 EGADMP CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140807371 1378147181 /nfs/dbraw/zinc/14/71/81/1378147181.db2.gz WSVYUFBCZWKBFC-HNNXBMFYSA-N 2 1 344.459 3.442 20 0 EGADMP Cc1nccnc1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001140936673 1378184913 /nfs/dbraw/zinc/18/49/13/1378184913.db2.gz XAUDFOLABCUZBU-UHFFFAOYSA-N 2 1 342.512 3.335 20 0 EGADMP CCOc1ncc(Cl)cc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001276873217 1378190137 /nfs/dbraw/zinc/19/01/37/1378190137.db2.gz QPORKNNYNRBGDM-UHFFFAOYSA-N 2 1 337.895 3.442 20 0 EGADMP CCOc1ncc(Cl)cc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276873217 1378190142 /nfs/dbraw/zinc/19/01/42/1378190142.db2.gz QPORKNNYNRBGDM-UHFFFAOYSA-N 2 1 337.895 3.442 20 0 EGADMP Cn1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c2c1ccnc2Cl ZINC001277364872 1378219477 /nfs/dbraw/zinc/21/94/77/1378219477.db2.gz IYPCMSAUCHOGHD-OKILXGFUSA-N 2 1 332.879 3.000 20 0 EGADMP Cn1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c2c1ccnc2Cl ZINC001277364872 1378219482 /nfs/dbraw/zinc/21/94/82/1378219482.db2.gz IYPCMSAUCHOGHD-OKILXGFUSA-N 2 1 332.879 3.000 20 0 EGADMP Cn1cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c2c1ccnc2Cl ZINC001277364872 1378219485 /nfs/dbraw/zinc/21/94/85/1378219485.db2.gz IYPCMSAUCHOGHD-OKILXGFUSA-N 2 1 332.879 3.000 20 0 EGADMP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2C[NH+](Cc3nncn3C)C[C@H]2CC1 ZINC001277623840 1378241100 /nfs/dbraw/zinc/24/11/00/1378241100.db2.gz NLISLTQIEDILFD-GBESFXJTSA-N 2 1 347.551 3.175 20 0 EGADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2C[N@@H+](Cc3nncn3C)C[C@H]2CC1 ZINC001277623840 1378241105 /nfs/dbraw/zinc/24/11/05/1378241105.db2.gz NLISLTQIEDILFD-GBESFXJTSA-N 2 1 347.551 3.175 20 0 EGADMP CCCC[C@H](CC)C[NH+]1CC[C@H]2C[N@H+](Cc3nncn3C)C[C@H]2CC1 ZINC001277623840 1378241109 /nfs/dbraw/zinc/24/11/09/1378241109.db2.gz NLISLTQIEDILFD-GBESFXJTSA-N 2 1 347.551 3.175 20 0 EGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ncc(Cl)nc2Cl)CC1 ZINC001141136910 1378246571 /nfs/dbraw/zinc/24/65/71/1378246571.db2.gz MZLUXBPWDCSHBS-UHFFFAOYSA-N 2 1 331.291 3.336 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ncc(Cl)nc2Cl)CC1 ZINC001141136910 1378246574 /nfs/dbraw/zinc/24/65/74/1378246574.db2.gz MZLUXBPWDCSHBS-UHFFFAOYSA-N 2 1 331.291 3.336 20 0 EGADMP CC[N@@H+]1C[C@H]2CN(Cc3cccc(-c4ccc(F)cc4)n3)C[C@H]2C1 ZINC001141210369 1378269840 /nfs/dbraw/zinc/26/98/40/1378269840.db2.gz MEKZBCMHCDIUBK-CALCHBBNSA-N 2 1 325.431 3.271 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccsc1 ZINC001141610174 1378350811 /nfs/dbraw/zinc/35/08/11/1378350811.db2.gz FUFPDCFKHBMKBP-INIZCTEOSA-N 2 1 339.549 3.225 20 0 EGADMP Cc1ccc(-c2ccc(C[N@@H+](C)CCN3CC[NH+](C)CC3)cc2)cc1 ZINC001142309587 1378432977 /nfs/dbraw/zinc/43/29/77/1378432977.db2.gz IHNJUPSFIALTOU-UHFFFAOYSA-N 2 1 337.511 3.341 20 0 EGADMP c1coc(C[N@@H+]2C[C@@H]3C[C@@H](CN(Cc4ccnc5[nH]ccc54)C3)C2)c1 ZINC001142874266 1378500957 /nfs/dbraw/zinc/50/09/57/1378500957.db2.gz OGWNHNADKATBIW-IYBDPMFKSA-N 2 1 336.439 3.110 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)CCC(C)(C)C ZINC001143139995 1378546077 /nfs/dbraw/zinc/54/60/77/1378546077.db2.gz ICJPONZGKZZWFC-QZTJIDSGSA-N 2 1 339.568 3.323 20 0 EGADMP COc1ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cc1C(F)(F)F ZINC001143646352 1378630771 /nfs/dbraw/zinc/63/07/71/1378630771.db2.gz PNRPZDIQAKGFRZ-UHFFFAOYSA-N 2 1 328.378 3.242 20 0 EGADMP C[C@@H](CCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001283222579 1378764837 /nfs/dbraw/zinc/76/48/37/1378764837.db2.gz SLXLRBAJFCXGGF-HKUYNNGSSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001283316789 1378801078 /nfs/dbraw/zinc/80/10/78/1378801078.db2.gz HZKRCTQLGUAEKE-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](CCCC1CCCC1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001283325601 1378810300 /nfs/dbraw/zinc/81/03/00/1378810300.db2.gz NXGXPFBIOUYQOZ-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001146592686 1378873368 /nfs/dbraw/zinc/87/33/68/1378873368.db2.gz KKNUOHGEIWFFIC-HOTGVXAUSA-N 2 1 345.487 3.146 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC/C=C\c1ccccc1 ZINC001146590870 1378874090 /nfs/dbraw/zinc/87/40/90/1378874090.db2.gz CNILUNFEIGXFRW-SHDPZIPESA-N 2 1 345.531 3.303 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1)[NH2+]CC1CCCC1 ZINC001146706307 1378902594 /nfs/dbraw/zinc/90/25/94/1378902594.db2.gz CRKPSMQOBOGAOP-MSOLQXFVSA-N 2 1 345.531 3.182 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1)[NH2+]CC1CCCC1 ZINC001146706307 1378902602 /nfs/dbraw/zinc/90/26/02/1378902602.db2.gz CRKPSMQOBOGAOP-MSOLQXFVSA-N 2 1 345.531 3.182 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001147204668 1378986662 /nfs/dbraw/zinc/98/66/62/1378986662.db2.gz PEQMCKHTOAQNTI-GOSISDBHSA-N 2 1 345.531 3.087 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001147204668 1378986664 /nfs/dbraw/zinc/98/66/64/1378986664.db2.gz PEQMCKHTOAQNTI-GOSISDBHSA-N 2 1 345.531 3.087 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001147204668 1378986667 /nfs/dbraw/zinc/98/66/67/1378986667.db2.gz PEQMCKHTOAQNTI-GOSISDBHSA-N 2 1 345.531 3.087 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001147359139 1379008366 /nfs/dbraw/zinc/00/83/66/1379008366.db2.gz LYBNJSDNJNBZGK-QFBILLFUSA-N 2 1 349.494 3.247 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC1CCC2(CC2)CC1 ZINC001147358542 1379008514 /nfs/dbraw/zinc/00/85/14/1379008514.db2.gz GIZGLEQSPXIGMF-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541335 1379039823 /nfs/dbraw/zinc/03/98/23/1379039823.db2.gz MLZREPQVURUSPN-RBUKOAKNSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147541335 1379039828 /nfs/dbraw/zinc/03/98/28/1379039828.db2.gz MLZREPQVURUSPN-RBUKOAKNSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147541335 1379039829 /nfs/dbraw/zinc/03/98/29/1379039829.db2.gz MLZREPQVURUSPN-RBUKOAKNSA-N 2 1 349.563 3.076 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001147658165 1379056603 /nfs/dbraw/zinc/05/66/03/1379056603.db2.gz IRJQGRGUBJGGGL-GHOSXJJBSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001147658165 1379056608 /nfs/dbraw/zinc/05/66/08/1379056608.db2.gz IRJQGRGUBJGGGL-GHOSXJJBSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001147658165 1379056611 /nfs/dbraw/zinc/05/66/11/1379056611.db2.gz IRJQGRGUBJGGGL-GHOSXJJBSA-N 2 1 347.547 3.142 20 0 EGADMP CCCCCC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001148364169 1379157423 /nfs/dbraw/zinc/15/74/23/1379157423.db2.gz UXOHFVKIBDCNNN-UHFFFAOYSA-N 2 1 346.519 3.121 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001148364169 1379157431 /nfs/dbraw/zinc/15/74/31/1379157431.db2.gz UXOHFVKIBDCNNN-UHFFFAOYSA-N 2 1 346.519 3.121 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CCCCC)C2 ZINC001148458725 1379175766 /nfs/dbraw/zinc/17/57/66/1379175766.db2.gz VFJMABYINHCQQH-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CCCCC)C2 ZINC001148458725 1379175769 /nfs/dbraw/zinc/17/57/69/1379175769.db2.gz VFJMABYINHCQQH-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CCCCC)C2 ZINC001148458725 1379175771 /nfs/dbraw/zinc/17/57/71/1379175771.db2.gz VFJMABYINHCQQH-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148839558 1379280907 /nfs/dbraw/zinc/28/09/07/1379280907.db2.gz RABUSBFRTADWSU-SNAWJCMRSA-N 2 1 347.547 3.143 20 0 EGADMP C[NH2+]C[C@H](C)CN[C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC001327841101 1388604191 /nfs/dbraw/zinc/60/41/91/1388604191.db2.gz VFCBQRXBMLTQLK-DLBZAZTESA-N 2 1 333.520 3.187 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)c1 ZINC001284133057 1379518193 /nfs/dbraw/zinc/51/81/93/1379518193.db2.gz UBGMBWPIDYVONA-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001754326291 1440580801 /nfs/dbraw/zinc/58/08/01/1440580801.db2.gz HAKQHUHMSOOVEI-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1C ZINC001153720590 1380118928 /nfs/dbraw/zinc/11/89/28/1380118928.db2.gz LXGPCOCXKMKAJU-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1C ZINC001153720590 1380118932 /nfs/dbraw/zinc/11/89/32/1380118932.db2.gz LXGPCOCXKMKAJU-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1C ZINC001153720590 1380118933 /nfs/dbraw/zinc/11/89/33/1380118933.db2.gz LXGPCOCXKMKAJU-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001153818863 1380136100 /nfs/dbraw/zinc/13/61/00/1380136100.db2.gz DBQYYRMHRQXCGU-MJGOQNOKSA-N 2 1 335.536 3.186 20 0 EGADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001153818863 1380136101 /nfs/dbraw/zinc/13/61/01/1380136101.db2.gz DBQYYRMHRQXCGU-MJGOQNOKSA-N 2 1 335.536 3.186 20 0 EGADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001153818863 1380136102 /nfs/dbraw/zinc/13/61/02/1380136102.db2.gz DBQYYRMHRQXCGU-MJGOQNOKSA-N 2 1 335.536 3.186 20 0 EGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153823940 1380137704 /nfs/dbraw/zinc/13/77/04/1380137704.db2.gz FNIUXALXGCTPFS-APWZRJJASA-N 2 1 335.536 3.044 20 0 EGADMP CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154123047 1380213078 /nfs/dbraw/zinc/21/30/78/1380213078.db2.gz MIXONONROLMWOI-MSOLQXFVSA-N 2 1 343.531 3.073 20 0 EGADMP CC[NH+](CCCCCF)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001154123047 1380213081 /nfs/dbraw/zinc/21/30/81/1380213081.db2.gz MIXONONROLMWOI-MSOLQXFVSA-N 2 1 343.531 3.073 20 0 EGADMP CC[NH+](CCCCCF)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001154123047 1380213083 /nfs/dbraw/zinc/21/30/83/1380213083.db2.gz MIXONONROLMWOI-MSOLQXFVSA-N 2 1 343.531 3.073 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC001154465941 1380283103 /nfs/dbraw/zinc/28/31/03/1380283103.db2.gz PAENNZJDSJNEFA-WSTZPKSXSA-N 2 1 345.531 3.224 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154579695 1380309186 /nfs/dbraw/zinc/30/91/86/1380309186.db2.gz ADORHSKWTVWYNS-QGZVFWFLSA-N 2 1 325.541 3.268 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1)[NH+](CC)CC ZINC001155174608 1380419569 /nfs/dbraw/zinc/41/95/69/1380419569.db2.gz GYAJLTCJBRQMQO-MJGOQNOKSA-N 2 1 333.520 3.134 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155282990 1380433355 /nfs/dbraw/zinc/43/33/55/1380433355.db2.gz GNAKYOQAGVGDEK-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCCC1CCC1)[C@H](C)CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001155282990 1380433356 /nfs/dbraw/zinc/43/33/56/1380433356.db2.gz GNAKYOQAGVGDEK-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCCC1CCC1)[C@H](C)CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001155282990 1380433357 /nfs/dbraw/zinc/43/33/57/1380433357.db2.gz GNAKYOQAGVGDEK-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP c1cc2c3c([nH]c2c(NC[C@H]2CCC4(CC[NH2+]CC4)CO2)[nH+]1)CCC3 ZINC001155388984 1380444803 /nfs/dbraw/zinc/44/48/03/1380444803.db2.gz AGVWJLLPECYQOL-CQSZACIVSA-N 2 1 340.471 3.012 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)C[C@H](C)n1ccnc1 ZINC001155520768 1380463662 /nfs/dbraw/zinc/46/36/62/1380463662.db2.gz CBTBVAVBPHTEHN-DLBZAZTESA-N 2 1 334.508 3.241 20 0 EGADMP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559791 1380468689 /nfs/dbraw/zinc/46/86/89/1380468689.db2.gz WJVCQEQNQPYXCY-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559791 1380468690 /nfs/dbraw/zinc/46/86/90/1380468690.db2.gz WJVCQEQNQPYXCY-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP COc1ccc2c(C)cc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)[nH+]c2c1 ZINC001155597279 1380471712 /nfs/dbraw/zinc/47/17/12/1380471712.db2.gz LGPUHZQGURNZIY-FOIQADDNSA-N 2 1 341.455 3.122 20 0 EGADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C)c1cccc2ccccc21 ZINC001155803039 1380493346 /nfs/dbraw/zinc/49/33/46/1380493346.db2.gz VUBDAOOIGNXEQY-OXQOHEQNSA-N 2 1 339.483 3.091 20 0 EGADMP COc1cc2c[nH+]c(NCC[C@H]3CCC[N@@H+](C)C3)cc2cc1OC ZINC001156386406 1380569298 /nfs/dbraw/zinc/56/92/98/1380569298.db2.gz SHECNYBSCVIWCZ-CQSZACIVSA-N 2 1 329.444 3.396 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC001156432387 1380575519 /nfs/dbraw/zinc/57/55/19/1380575519.db2.gz SCOGKOUUVNGPKC-MRXNPFEDSA-N 2 1 338.455 3.308 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C)cc1 ZINC001156510103 1380586223 /nfs/dbraw/zinc/58/62/23/1380586223.db2.gz HORWVWCZIOJYNS-GOSISDBHSA-N 2 1 333.520 3.054 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C)cc1 ZINC001156510103 1380586224 /nfs/dbraw/zinc/58/62/24/1380586224.db2.gz HORWVWCZIOJYNS-GOSISDBHSA-N 2 1 333.520 3.054 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C)cc1 ZINC001156510103 1380586225 /nfs/dbraw/zinc/58/62/25/1380586225.db2.gz HORWVWCZIOJYNS-GOSISDBHSA-N 2 1 333.520 3.054 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(Cl)cc1 ZINC001156525452 1380588087 /nfs/dbraw/zinc/58/80/87/1380588087.db2.gz OZGJFAUBZFKQQT-OAHLLOKOSA-N 2 1 339.911 3.008 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(Cl)cc1 ZINC001156525452 1380588088 /nfs/dbraw/zinc/58/80/88/1380588088.db2.gz OZGJFAUBZFKQQT-OAHLLOKOSA-N 2 1 339.911 3.008 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(Cl)cc1 ZINC001156525452 1380588089 /nfs/dbraw/zinc/58/80/89/1380588089.db2.gz OZGJFAUBZFKQQT-OAHLLOKOSA-N 2 1 339.911 3.008 20 0 EGADMP C[N@@H+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157701407 1381007940 /nfs/dbraw/zinc/00/79/40/1381007940.db2.gz DNQZUCGJTZMDBU-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001157701407 1381007943 /nfs/dbraw/zinc/00/79/43/1381007943.db2.gz DNQZUCGJTZMDBU-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001157701407 1381007947 /nfs/dbraw/zinc/00/79/47/1381007947.db2.gz DNQZUCGJTZMDBU-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001157893398 1381063106 /nfs/dbraw/zinc/06/31/06/1381063106.db2.gz FFDHKICGTVAKLI-LHZAFZKQSA-N 2 1 343.515 3.059 20 0 EGADMP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157978183 1381091548 /nfs/dbraw/zinc/09/15/48/1381091548.db2.gz OODAYKIHKNAWDB-ODWICZQRSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001157978183 1381091552 /nfs/dbraw/zinc/09/15/52/1381091552.db2.gz OODAYKIHKNAWDB-ODWICZQRSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001157978183 1381091554 /nfs/dbraw/zinc/09/15/54/1381091554.db2.gz OODAYKIHKNAWDB-ODWICZQRSA-N 2 1 349.563 3.386 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-n2cnc3ccc(C[NH3+])cc32)nc1 ZINC001158012077 1381103463 /nfs/dbraw/zinc/10/34/63/1381103463.db2.gz CWEBPCIZQWBUNC-GOSISDBHSA-N 2 1 335.455 3.426 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158039557 1381109391 /nfs/dbraw/zinc/10/93/91/1381109391.db2.gz SIUZPZNHYFVKIK-UXHICEINSA-N 2 1 349.563 3.317 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CCC1CC1 ZINC001158061569 1381116965 /nfs/dbraw/zinc/11/69/65/1381116965.db2.gz OPTYBSHWFWTOKR-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CC1 ZINC001158061569 1381116970 /nfs/dbraw/zinc/11/69/70/1381116970.db2.gz OPTYBSHWFWTOKR-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CC1 ZINC001158061569 1381116972 /nfs/dbraw/zinc/11/69/72/1381116972.db2.gz OPTYBSHWFWTOKR-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001158065660 1381117803 /nfs/dbraw/zinc/11/78/03/1381117803.db2.gz LVMHBFSCNWRFCR-WOJBJXKFSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001158065660 1381117809 /nfs/dbraw/zinc/11/78/09/1381117809.db2.gz LVMHBFSCNWRFCR-WOJBJXKFSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001158065660 1381117815 /nfs/dbraw/zinc/11/78/15/1381117815.db2.gz LVMHBFSCNWRFCR-WOJBJXKFSA-N 2 1 349.563 3.243 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)C[C@H](C)CC(C)C ZINC001158227776 1381167117 /nfs/dbraw/zinc/16/71/17/1381167117.db2.gz PEHDTCCEXWAZCE-IEBWSBKVSA-N 2 1 348.535 3.187 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@H](C)CC(C)C ZINC001158227776 1381167121 /nfs/dbraw/zinc/16/71/21/1381167121.db2.gz PEHDTCCEXWAZCE-IEBWSBKVSA-N 2 1 348.535 3.187 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001158353988 1381214318 /nfs/dbraw/zinc/21/43/18/1381214318.db2.gz DODAPDXBDBOXLR-QGZVFWFLSA-N 2 1 348.535 3.463 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001158418882 1381239382 /nfs/dbraw/zinc/23/93/82/1381239382.db2.gz CHXSVGDJEYDNRT-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001158419105 1381240178 /nfs/dbraw/zinc/24/01/78/1381240178.db2.gz KMUZNSXNHARJRU-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP C[N@@H+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158434783 1381245535 /nfs/dbraw/zinc/24/55/35/1381245535.db2.gz MGOZJWILZWPMDV-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC001158445698 1381247793 /nfs/dbraw/zinc/24/77/93/1381247793.db2.gz NRTSHZHJCKNSFK-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001158480547 1381260586 /nfs/dbraw/zinc/26/05/86/1381260586.db2.gz NTPVJMADRROBKF-LIXSYLKWSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001158480547 1381260598 /nfs/dbraw/zinc/26/05/98/1381260598.db2.gz NTPVJMADRROBKF-LIXSYLKWSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001158480547 1381260603 /nfs/dbraw/zinc/26/06/03/1381260603.db2.gz NTPVJMADRROBKF-LIXSYLKWSA-N 2 1 349.563 3.388 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001158689246 1381354874 /nfs/dbraw/zinc/35/48/74/1381354874.db2.gz FZUKIIBMHLEPPT-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001158704133 1381360188 /nfs/dbraw/zinc/36/01/88/1381360188.db2.gz DIQTWONGHDZSIO-CSHXORCISA-N 2 1 337.552 3.388 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001158704133 1381360195 /nfs/dbraw/zinc/36/01/95/1381360195.db2.gz DIQTWONGHDZSIO-CSHXORCISA-N 2 1 337.552 3.388 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001158704133 1381360209 /nfs/dbraw/zinc/36/02/09/1381360209.db2.gz DIQTWONGHDZSIO-CSHXORCISA-N 2 1 337.552 3.388 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)[C@H](C)c1ccccc1 ZINC001158714647 1381363020 /nfs/dbraw/zinc/36/30/20/1381363020.db2.gz XVYWEGZDNGSQBY-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1ccccc1 ZINC001158714647 1381363026 /nfs/dbraw/zinc/36/30/26/1381363026.db2.gz XVYWEGZDNGSQBY-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC001158714647 1381363032 /nfs/dbraw/zinc/36/30/32/1381363032.db2.gz XVYWEGZDNGSQBY-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158750565 1381381968 /nfs/dbraw/zinc/38/19/68/1381381968.db2.gz MTPSLLJXIZKUTB-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001158750565 1381381979 /nfs/dbraw/zinc/38/19/79/1381381979.db2.gz MTPSLLJXIZKUTB-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001158750565 1381381988 /nfs/dbraw/zinc/38/19/88/1381381988.db2.gz MTPSLLJXIZKUTB-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](CC)c1ccc(Nc2cccnc2N2CC[C@@H]([NH3+])C2)cc1 ZINC001159330887 1381765576 /nfs/dbraw/zinc/76/55/76/1381765576.db2.gz YFVBKVCWGOIBHT-OAHLLOKOSA-N 2 1 325.460 3.209 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001159334186 1381767912 /nfs/dbraw/zinc/76/79/12/1381767912.db2.gz ACFATXSGVDEMEN-YLZBSDIZSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](CC)c1ccc(F)cc1 ZINC001159334717 1381768041 /nfs/dbraw/zinc/76/80/41/1381768041.db2.gz GFJQLANJJIDPGD-RTBURBONSA-N 2 1 349.494 3.247 20 0 EGADMP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001159924522 1381939529 /nfs/dbraw/zinc/93/95/29/1381939529.db2.gz LETYJYZFESMJRN-QGZVFWFLSA-N 2 1 346.519 3.073 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC001159950120 1381947014 /nfs/dbraw/zinc/94/70/14/1381947014.db2.gz VWEQGGVMMNXBEZ-KRWDZBQOSA-N 2 1 326.444 3.330 20 0 EGADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(NCC(C)(C)[NH3+])c2c1C ZINC001160032199 1381974748 /nfs/dbraw/zinc/97/47/48/1381974748.db2.gz PHNAWZZLXWRTMN-UHFFFAOYSA-N 2 1 347.532 3.443 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001160065338 1381987162 /nfs/dbraw/zinc/98/71/62/1381987162.db2.gz FNMOBRUIYSPKIQ-UHFFFAOYSA-N 2 1 343.450 3.067 20 0 EGADMP CCc1ccc([C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[NH+](CC)CC)cc1 ZINC001160110330 1381999711 /nfs/dbraw/zinc/99/97/11/1381999711.db2.gz AIOBUSMFJSGYSN-WOJBJXKFSA-N 2 1 345.531 3.232 20 0 EGADMP c1ccc(N2CC[NH2+]CC2)c(CNc2[nH+]ccc3c4c([nH]c32)CCC4)c1 ZINC001160115799 1382001344 /nfs/dbraw/zinc/00/13/44/1382001344.db2.gz LQFYFGBERKZOTD-UHFFFAOYSA-N 2 1 347.466 3.073 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120278 1382003118 /nfs/dbraw/zinc/00/31/18/1382003118.db2.gz KWNYOXIECPTBHD-LJQANCHMSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160120278 1382003120 /nfs/dbraw/zinc/00/31/20/1382003120.db2.gz KWNYOXIECPTBHD-LJQANCHMSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160120278 1382003125 /nfs/dbraw/zinc/00/31/25/1382003125.db2.gz KWNYOXIECPTBHD-LJQANCHMSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160379832 1382088068 /nfs/dbraw/zinc/08/80/68/1382088068.db2.gz NWPXCTJGBUOJDZ-GOSISDBHSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC=C(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001160379832 1382088071 /nfs/dbraw/zinc/08/80/71/1382088071.db2.gz NWPXCTJGBUOJDZ-GOSISDBHSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001160379832 1382088076 /nfs/dbraw/zinc/08/80/76/1382088076.db2.gz NWPXCTJGBUOJDZ-GOSISDBHSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160492400 1382121682 /nfs/dbraw/zinc/12/16/82/1382121682.db2.gz RHPSSMSUWYURDV-UHFFFAOYSA-N 2 1 347.547 3.191 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001160617028 1382154060 /nfs/dbraw/zinc/15/40/60/1382154060.db2.gz CASKYRDCHWJHMK-UHFFFAOYSA-N 2 1 340.471 3.277 20 0 EGADMP CC(C)C[C@H]([NH3+])CC(=O)N(C)[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001160955937 1382251135 /nfs/dbraw/zinc/25/11/35/1382251135.db2.gz CLSNODLFHKYBJG-IHPCNDPISA-N 2 1 345.531 3.119 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161021295 1382275324 /nfs/dbraw/zinc/27/53/24/1382275324.db2.gz NHTPLZMBKGARID-SREVYHEPSA-N 2 1 347.547 3.213 20 0 EGADMP CC[C@H](C(=O)NCCC1=CC[N@@H+](CCC(C)C)CC1)[NH+](CC)CC ZINC001161214307 1382344762 /nfs/dbraw/zinc/34/47/62/1382344762.db2.gz YKGDYDSIBDUJFR-LJQANCHMSA-N 2 1 337.552 3.291 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC[C@@H]1CCC[C@H](C)C1 ZINC001161226355 1382348654 /nfs/dbraw/zinc/34/86/54/1382348654.db2.gz FEGQXEJHPCLONZ-IRXDYDNUSA-N 2 1 325.541 3.029 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161391945 1382397839 /nfs/dbraw/zinc/39/78/39/1382397839.db2.gz ZNBPAASUZWBBMC-FQEVSTJZSA-N 2 1 347.547 3.354 20 0 EGADMP CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391945 1382397842 /nfs/dbraw/zinc/39/78/42/1382397842.db2.gz ZNBPAASUZWBBMC-FQEVSTJZSA-N 2 1 347.547 3.354 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391945 1382397844 /nfs/dbraw/zinc/39/78/44/1382397844.db2.gz ZNBPAASUZWBBMC-FQEVSTJZSA-N 2 1 347.547 3.354 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444931 1382412781 /nfs/dbraw/zinc/41/27/81/1382412781.db2.gz MUZOZKIVKFVNBT-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001161444931 1382412786 /nfs/dbraw/zinc/41/27/86/1382412786.db2.gz MUZOZKIVKFVNBT-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001161444931 1382412787 /nfs/dbraw/zinc/41/27/87/1382412787.db2.gz MUZOZKIVKFVNBT-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP Cc1ccc2c(C)cc(NC3CCN([C@@H]4CC[NH2+]C4)CC3)[nH+]c2c1C ZINC001161473074 1382418606 /nfs/dbraw/zinc/41/86/06/1382418606.db2.gz SUWFJOSOPGEVIR-GOSISDBHSA-N 2 1 338.499 3.398 20 0 EGADMP C[N@@H+](Cc1ccc(N2CCC([NH3+])(CC3CCC3)CC2)nc1)C1CC1 ZINC001161576578 1382444365 /nfs/dbraw/zinc/44/43/65/1382444365.db2.gz PWUVGMLGIXVMDJ-UHFFFAOYSA-N 2 1 328.504 3.164 20 0 EGADMP COc1ccc2cc[nH+]c(N3CCC([NH3+])(c4cccnc4)CC3)c2c1 ZINC001161582419 1382446834 /nfs/dbraw/zinc/44/68/34/1382446834.db2.gz QXSLXAJOCQFNAG-UHFFFAOYSA-N 2 1 334.423 3.093 20 0 EGADMP Cc1cc(C)cc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001161643807 1382468186 /nfs/dbraw/zinc/46/81/86/1382468186.db2.gz BOZMQWZHDDKJDQ-FQEVSTJZSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161705501 1382486140 /nfs/dbraw/zinc/48/61/40/1382486140.db2.gz ULVDJBZJQLHKTE-ICSRJNTNSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161705501 1382486144 /nfs/dbraw/zinc/48/61/44/1382486144.db2.gz ULVDJBZJQLHKTE-ICSRJNTNSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161705501 1382486147 /nfs/dbraw/zinc/48/61/47/1382486147.db2.gz ULVDJBZJQLHKTE-ICSRJNTNSA-N 2 1 349.563 3.149 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001161750091 1382494891 /nfs/dbraw/zinc/49/48/91/1382494891.db2.gz WHZMTARXGLDYPA-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CCC[NH+](C)CCC(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001161750091 1382494892 /nfs/dbraw/zinc/49/48/92/1382494892.db2.gz WHZMTARXGLDYPA-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CCC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001161750091 1382494894 /nfs/dbraw/zinc/49/48/94/1382494894.db2.gz WHZMTARXGLDYPA-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001161924433 1382554040 /nfs/dbraw/zinc/55/40/40/1382554040.db2.gz CHFSCPHGACUQIP-HDICACEKSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001161924433 1382554064 /nfs/dbraw/zinc/55/40/64/1382554064.db2.gz CHFSCPHGACUQIP-HDICACEKSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001161924433 1382554101 /nfs/dbraw/zinc/55/41/01/1382554101.db2.gz CHFSCPHGACUQIP-HDICACEKSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161947059 1382566085 /nfs/dbraw/zinc/56/60/85/1382566085.db2.gz VEXKHYCCXPEHBC-ARJAWSKDSA-N 2 1 347.547 3.357 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CC(C)C2)CC1 ZINC001161952969 1382568652 /nfs/dbraw/zinc/56/86/52/1382568652.db2.gz NHVMWDZPYHNWER-LYBXBRPPSA-N 2 1 347.547 3.045 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC2CC(C)C2)CC1 ZINC001161952969 1382568657 /nfs/dbraw/zinc/56/86/57/1382568657.db2.gz NHVMWDZPYHNWER-LYBXBRPPSA-N 2 1 347.547 3.045 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC2CC(C)C2)CC1 ZINC001161952969 1382568658 /nfs/dbraw/zinc/56/86/58/1382568658.db2.gz NHVMWDZPYHNWER-LYBXBRPPSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[C@@H](C(=O)NCCC1=CC[N@H+](C(C)C)CC1)[NH+]1CCCCC1 ZINC001161953561 1382569483 /nfs/dbraw/zinc/56/94/83/1382569483.db2.gz VKUSDVVBOBRHRZ-IBGZPJMESA-N 2 1 335.536 3.044 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CC(C)C2)CC1 ZINC001161952970 1382569938 /nfs/dbraw/zinc/56/99/38/1382569938.db2.gz NHVMWDZPYHNWER-UUKMXZOPSA-N 2 1 347.547 3.045 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2CC(C)C2)CC1 ZINC001161952970 1382569941 /nfs/dbraw/zinc/56/99/41/1382569941.db2.gz NHVMWDZPYHNWER-UUKMXZOPSA-N 2 1 347.547 3.045 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2CC(C)C2)CC1 ZINC001161952970 1382569942 /nfs/dbraw/zinc/56/99/42/1382569942.db2.gz NHVMWDZPYHNWER-UUKMXZOPSA-N 2 1 347.547 3.045 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](Nc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)C1 ZINC001162396927 1382747419 /nfs/dbraw/zinc/74/74/19/1382747419.db2.gz PTEWINGYDPGYJD-HLLBOEOZSA-N 3 1 327.476 3.033 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(CC[NH2+]CCC(C)C)CCc1ccccc1 ZINC001162977145 1382934438 /nfs/dbraw/zinc/93/44/38/1382934438.db2.gz HERXULJUPBZNON-UHFFFAOYSA-N 2 1 347.547 3.035 20 0 EGADMP C[NH+](C)Cc1ccc(Br)c(N[C@H]2C[NH+]3CCC2CC3)c1 ZINC001163394277 1383041385 /nfs/dbraw/zinc/04/13/85/1383041385.db2.gz DRYLICUMGWCSQN-INIZCTEOSA-N 2 1 338.293 3.017 20 0 EGADMP Cc1ccccc1OCCCNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001163976321 1383142266 /nfs/dbraw/zinc/14/22/66/1383142266.db2.gz RQCOVPXNOSOIAL-UHFFFAOYSA-N 2 1 336.439 3.211 20 0 EGADMP CC/C=C\CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164491242 1383192699 /nfs/dbraw/zinc/19/26/99/1383192699.db2.gz CSDDSWJFDRROIL-ZRHASKPBSA-N 2 1 335.536 3.236 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@H]([NH3+])C(F)(F)C2)nc1 ZINC001165127126 1383233488 /nfs/dbraw/zinc/23/34/88/1383233488.db2.gz CMYVZURXGJEJQV-HOTGVXAUSA-N 2 1 338.446 3.191 20 0 EGADMP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3[nH+]ccn3CC2)nc1 ZINC001165164677 1383240543 /nfs/dbraw/zinc/24/05/43/1383240543.db2.gz MIMGQWJGOXHSLL-GOSISDBHSA-N 2 1 339.487 3.278 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3[nH+]ccn3CC2)nc1 ZINC001165164677 1383240546 /nfs/dbraw/zinc/24/05/46/1383240546.db2.gz MIMGQWJGOXHSLL-GOSISDBHSA-N 2 1 339.487 3.278 20 0 EGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC001165244624 1383256426 /nfs/dbraw/zinc/25/64/26/1383256426.db2.gz TZJPBUKNVSKUEP-ICSRJNTNSA-N 2 1 328.504 3.208 20 0 EGADMP FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1c1ccc2c([nH+]1)CCC2 ZINC001165303421 1383269691 /nfs/dbraw/zinc/26/96/91/1383269691.db2.gz GCSTWELAKNFIEV-AWEZNQCLSA-N 2 1 325.378 3.224 20 0 EGADMP CCC/C=C/CC[NH2+]CC1(CCNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001165809741 1383348940 /nfs/dbraw/zinc/34/89/40/1383348940.db2.gz MSLCFPABSQVTLV-MDZDMXLPSA-N 2 1 337.552 3.339 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CCC1CCCC1)[NH+](C)C ZINC001328763465 1388848615 /nfs/dbraw/zinc/84/86/15/1388848615.db2.gz DWMDOUBQFFFTIS-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)Nc2c[nH+]ccc2NC(CC)CC)C1 ZINC001298610949 1383413537 /nfs/dbraw/zinc/41/35/37/1383413537.db2.gz WXSLAJOVPPHVCC-HNNXBMFYSA-N 2 1 332.492 3.165 20 0 EGADMP CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001166803840 1383479643 /nfs/dbraw/zinc/47/96/43/1383479643.db2.gz YZGUMYWWKGMVHW-LJQANCHMSA-N 2 1 349.563 3.460 20 0 EGADMP CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001166803838 1383479648 /nfs/dbraw/zinc/47/96/48/1383479648.db2.gz YZGUMYWWKGMVHW-IBGZPJMESA-N 2 1 349.563 3.460 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001166843380 1383486491 /nfs/dbraw/zinc/48/64/91/1383486491.db2.gz RFBFZDJPNZZEHA-WMZOPIPTSA-N 2 1 337.552 3.029 20 0 EGADMP COc1ccc2c[nH+]c(N3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)cc2c1 ZINC001167208298 1383566933 /nfs/dbraw/zinc/56/69/33/1383566933.db2.gz PJSVRONWLQEHNM-KNQAVFIVSA-N 2 1 345.446 3.221 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC2(C[NH2+]CCC3CCCCC3)CC2)C1 ZINC001167232441 1383571204 /nfs/dbraw/zinc/57/12/04/1383571204.db2.gz CPYAXXSXXPYEPD-GOSISDBHSA-N 2 1 349.563 3.175 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC2(C[NH2+]CCC3=CCCCC3)CC2)C1 ZINC001167232855 1383571681 /nfs/dbraw/zinc/57/16/81/1383571681.db2.gz SDWXQEFJHFLLOB-GOSISDBHSA-N 2 1 347.547 3.095 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001167236064 1383572025 /nfs/dbraw/zinc/57/20/25/1383572025.db2.gz GWWBGDYRTMOFGC-IEBWSBKVSA-N 2 1 349.563 3.031 20 0 EGADMP O=C(NCCC1(C[NH2+]CC2CCCC2)CC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001167426745 1383631185 /nfs/dbraw/zinc/63/11/85/1383631185.db2.gz YEDUVAFGDZTPFB-RBUKOAKNSA-N 2 1 347.547 3.070 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CC(C)C)CC1 ZINC001167470794 1383642574 /nfs/dbraw/zinc/64/25/74/1383642574.db2.gz BTEFXJXBNBMYQT-UHFFFAOYSA-N 2 1 325.541 3.031 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001167812211 1383746407 /nfs/dbraw/zinc/74/64/07/1383746407.db2.gz HRRLNUHDCHNAMQ-UHFFFAOYSA-N 2 1 349.563 3.175 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@]2(CCN(CC3CC3)C2=O)C1 ZINC001167824605 1383749762 /nfs/dbraw/zinc/74/97/62/1383749762.db2.gz POLHDMRIIHHTDD-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001167833334 1383753583 /nfs/dbraw/zinc/75/35/83/1383753583.db2.gz AMAXMNLFSLYHQS-FHWLQOOXSA-N 2 1 327.532 3.395 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001167833334 1383753586 /nfs/dbraw/zinc/75/35/86/1383753586.db2.gz AMAXMNLFSLYHQS-FHWLQOOXSA-N 2 1 327.532 3.395 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@H]2CCC[NH+](CCC3CC3)C2)CC1 ZINC001328812018 1388877829 /nfs/dbraw/zinc/87/78/29/1388877829.db2.gz HPVPHLSAQWWFDR-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC001328812018 1388877833 /nfs/dbraw/zinc/87/78/33/1388877833.db2.gz HPVPHLSAQWWFDR-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC001328812018 1388877836 /nfs/dbraw/zinc/87/78/36/1388877836.db2.gz HPVPHLSAQWWFDR-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CCOC(=O)CCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963933 1383780463 /nfs/dbraw/zinc/78/04/63/1383780463.db2.gz ILWYATXMKLQNKL-YQQQUEKLSA-N 2 1 336.520 3.495 20 0 EGADMP Cn1c2ccccc2nc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963734 1383780781 /nfs/dbraw/zinc/78/07/81/1383780781.db2.gz CABOSZOZJVASFH-AYHJJNSGSA-N 2 1 338.499 3.111 20 0 EGADMP COC(=O)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CCCCC1 ZINC001167973071 1383782564 /nfs/dbraw/zinc/78/25/64/1383782564.db2.gz FKGCFWNIAAWFSZ-NXEWRWPSSA-N 2 1 348.531 3.493 20 0 EGADMP CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168001943 1383792528 /nfs/dbraw/zinc/79/25/28/1383792528.db2.gz AKVISWRRJBEXKO-HTUJPFKRSA-N 2 1 348.531 3.446 20 0 EGADMP CC(C)(C)OC(=O)C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168001943 1383792533 /nfs/dbraw/zinc/79/25/33/1383792533.db2.gz AKVISWRRJBEXKO-HTUJPFKRSA-N 2 1 348.531 3.446 20 0 EGADMP CC(C)(C)OC(=O)C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168001943 1383792535 /nfs/dbraw/zinc/79/25/35/1383792535.db2.gz AKVISWRRJBEXKO-HTUJPFKRSA-N 2 1 348.531 3.446 20 0 EGADMP CC[N@H+]1CCCN([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168039361 1383802644 /nfs/dbraw/zinc/80/26/44/1383802644.db2.gz DOLJOPRWWRCGCK-CEQLMSFQSA-N 2 1 329.532 3.456 20 0 EGADMP CC[NH+]1CCCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168039361 1383802648 /nfs/dbraw/zinc/80/26/48/1383802648.db2.gz DOLJOPRWWRCGCK-CEQLMSFQSA-N 2 1 329.532 3.456 20 0 EGADMP CC[NH+]1CCCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168039361 1383802654 /nfs/dbraw/zinc/80/26/54/1383802654.db2.gz DOLJOPRWWRCGCK-CEQLMSFQSA-N 2 1 329.532 3.456 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[NH+](C)C(C)(C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059485 1383806706 /nfs/dbraw/zinc/80/67/06/1383806706.db2.gz FYDFOFKOMPEJGJ-OPVJXMOQSA-N 2 1 329.532 3.454 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[N@H+](C)C(C)(C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059485 1383806712 /nfs/dbraw/zinc/80/67/12/1383806712.db2.gz FYDFOFKOMPEJGJ-OPVJXMOQSA-N 2 1 329.532 3.454 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059485 1383806716 /nfs/dbraw/zinc/80/67/16/1383806716.db2.gz FYDFOFKOMPEJGJ-OPVJXMOQSA-N 2 1 329.532 3.454 20 0 EGADMP C[C@@H]1CC(N2CCc3[nH+]ccn3CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168061565 1383807488 /nfs/dbraw/zinc/80/74/88/1383807488.db2.gz ISGACQNGXGOESC-QZTJIDSGSA-N 2 1 338.499 3.183 20 0 EGADMP C[NH+](C)C1CCC([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168312271 1383870639 /nfs/dbraw/zinc/87/06/39/1383870639.db2.gz NQCUHLPDBDSXNE-OFVLBHHSSA-N 3 1 330.520 3.026 20 0 EGADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2C2CCC([NH+](C)C)CC2)cc1 ZINC001168328843 1383874175 /nfs/dbraw/zinc/87/41/75/1383874175.db2.gz DAYBZRFEKPZHQE-CTWPCTMYSA-N 2 1 330.472 3.483 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168417075 1383901029 /nfs/dbraw/zinc/90/10/29/1383901029.db2.gz NUXXFLVRZGJHHY-SFHLNBCPSA-N 2 1 346.490 3.434 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(C)cc1C ZINC001168607479 1383946881 /nfs/dbraw/zinc/94/68/81/1383946881.db2.gz UHJAMBMABYAZGK-UHFFFAOYSA-N 2 1 347.547 3.411 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)C2 ZINC001169100115 1384107511 /nfs/dbraw/zinc/10/75/11/1384107511.db2.gz GOERJAHMKBRGNU-QDMKHBRRSA-N 2 1 328.378 3.343 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3cc(F)cc(F)c3)CC1)C2 ZINC001169108894 1384108077 /nfs/dbraw/zinc/10/80/77/1384108077.db2.gz DZNSZUZTHCKZLS-ACDBMABISA-N 2 1 349.469 3.144 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(CC(=O)OC(C)(C)C)c1)C2 ZINC001169123106 1384110212 /nfs/dbraw/zinc/11/02/12/1384110212.db2.gz JDAQRRHWGGYCQB-LDLYASANSA-N 2 1 344.499 3.286 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129937 1384111073 /nfs/dbraw/zinc/11/10/73/1384111073.db2.gz MGMWMQWUGJWBJV-NHAYFPRASA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129937 1384111075 /nfs/dbraw/zinc/11/10/75/1384111075.db2.gz MGMWMQWUGJWBJV-NHAYFPRASA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129937 1384111077 /nfs/dbraw/zinc/11/10/77/1384111077.db2.gz MGMWMQWUGJWBJV-NHAYFPRASA-N 2 1 349.519 3.087 20 0 EGADMP Cc1cc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c[nH+]c1N1CCOCC1 ZINC001169147521 1384114966 /nfs/dbraw/zinc/11/49/66/1384114966.db2.gz TVDXNFXANAXPOF-FXAWDEMLSA-N 2 1 346.519 3.182 20 0 EGADMP COc1cccc([C@H]2CSCC[N@@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169154757 1384115971 /nfs/dbraw/zinc/11/59/71/1384115971.db2.gz UNGAHWRTRPVADD-SFNKJDCFSA-N 2 1 332.513 3.410 20 0 EGADMP COc1cccc([C@H]2CSCC[N@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169154757 1384115973 /nfs/dbraw/zinc/11/59/73/1384115973.db2.gz UNGAHWRTRPVADD-SFNKJDCFSA-N 2 1 332.513 3.410 20 0 EGADMP COc1cccc([C@H]2CSCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169154757 1384115976 /nfs/dbraw/zinc/11/59/76/1384115976.db2.gz UNGAHWRTRPVADD-SFNKJDCFSA-N 2 1 332.513 3.410 20 0 EGADMP COc1cccc([C@H]2CSCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169154757 1384115979 /nfs/dbraw/zinc/11/59/79/1384115979.db2.gz UNGAHWRTRPVADD-SFNKJDCFSA-N 2 1 332.513 3.410 20 0 EGADMP CCc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC001308344367 1384120467 /nfs/dbraw/zinc/12/04/67/1384120467.db2.gz GYTNQMADNNTNAB-JOCHJYFZSA-N 2 1 338.495 3.496 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H](CNC(=O)OC(C)(C)C)C(C)C ZINC001308745033 1384146978 /nfs/dbraw/zinc/14/69/78/1384146978.db2.gz PFSQMDBQKHEAGH-MRXNPFEDSA-N 2 1 329.529 3.057 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169729708 1384179826 /nfs/dbraw/zinc/17/98/26/1384179826.db2.gz UYRFALPFLFMYTN-AZUAARDMSA-N 2 1 343.515 3.145 20 0 EGADMP Cc1cc(N(C)C(C)(C)C[NH3+])nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001170052132 1384225436 /nfs/dbraw/zinc/22/54/36/1384225436.db2.gz IGUGMPRWUNNUNL-UHFFFAOYSA-N 2 1 338.499 3.122 20 0 EGADMP Cc1cc([NH+]2CCCCC2)ccc1NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170279948 1384281342 /nfs/dbraw/zinc/28/13/42/1384281342.db2.gz QBQCDRGDQBFPBN-AQNXPRMDSA-N 2 1 347.503 3.122 20 0 EGADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CC[C@H]4[C@@H](CCN4Cc4nccs4)C3)C[C@@H]21 ZINC001170752071 1384378748 /nfs/dbraw/zinc/37/87/48/1384378748.db2.gz UDBMTMTVYNPPOS-VIQHNZTISA-N 2 1 331.529 3.474 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170785462 1384384360 /nfs/dbraw/zinc/38/43/60/1384384360.db2.gz MNBKBMWKKXFFJQ-HKUYNNGSSA-N 2 1 349.563 3.316 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(F)cc1 ZINC001170786012 1384385408 /nfs/dbraw/zinc/38/54/08/1384385408.db2.gz YZMBHKZTXKBVGK-LJQANCHMSA-N 2 1 349.494 3.076 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170870872 1384401932 /nfs/dbraw/zinc/40/19/32/1384401932.db2.gz LAALTLRYIITLPH-YQVWRLOYSA-N 2 1 337.552 3.172 20 0 EGADMP Brc1ccc2c(c1)C[C@@H]([N@H+]1CCc3[nH+]ccn3CC1)CC2 ZINC001170884342 1384404343 /nfs/dbraw/zinc/40/43/43/1384404343.db2.gz IFZJMZJNQFCPHG-INIZCTEOSA-N 2 1 346.272 3.061 20 0 EGADMP Brc1ccc2c(c1)C[C@@H]([N@@H+]1CCc3[nH+]ccn3CC1)CC2 ZINC001170884342 1384404345 /nfs/dbraw/zinc/40/43/45/1384404345.db2.gz IFZJMZJNQFCPHG-INIZCTEOSA-N 2 1 346.272 3.061 20 0 EGADMP CC[NH+](CC)Cc1cc(OC)ccc1N[C@@H]1C[C@H]2CC[N@@H+](C1)[C@@H]2C ZINC001170980865 1384422741 /nfs/dbraw/zinc/42/27/41/1384422741.db2.gz TXDFVFOBHDYTQJ-JFIYKMOQSA-N 2 1 331.504 3.432 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001171226660 1384473778 /nfs/dbraw/zinc/47/37/78/1384473778.db2.gz JBOHOUPBYQXSJM-MSOLQXFVSA-N 2 1 345.531 3.309 20 0 EGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171245692 1384477214 /nfs/dbraw/zinc/47/72/14/1384477214.db2.gz AZJLKYXRAYZDEU-IAGOWNOFSA-N 2 1 334.508 3.215 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001171248492 1384478172 /nfs/dbraw/zinc/47/81/72/1384478172.db2.gz VWHBEAARXRDBCJ-OALUTQOASA-N 2 1 337.552 3.480 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001171248356 1384478450 /nfs/dbraw/zinc/47/84/50/1384478450.db2.gz TULRUSGHGXPWSR-IEBWSBKVSA-N 2 1 337.552 3.314 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171253326 1384479446 /nfs/dbraw/zinc/47/94/46/1384479446.db2.gz CBHXINAOHGCGOH-INIZCTEOSA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171254463 1384479712 /nfs/dbraw/zinc/47/97/12/1384479712.db2.gz RMBZJJJVKJQUGG-ZWKOTPCHSA-N 2 1 339.568 3.418 20 0 EGADMP C[C@H](CCCC[NH2+]CCCCCF)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171328425 1384495666 /nfs/dbraw/zinc/49/56/66/1384495666.db2.gz JEZFHPFBCYVCRN-QZTJIDSGSA-N 2 1 343.531 3.265 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171538911 1384556313 /nfs/dbraw/zinc/55/63/13/1384556313.db2.gz PPWGQYAYDORALD-MSOLQXFVSA-N 2 1 325.541 3.172 20 0 EGADMP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171586260 1384572207 /nfs/dbraw/zinc/57/22/07/1384572207.db2.gz KMROLQQZQMHZTN-DOOKAGJSSA-N 2 1 325.541 3.338 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CC1=CCCCC1 ZINC001171586821 1384572839 /nfs/dbraw/zinc/57/28/39/1384572839.db2.gz UDZKOWYJIRIEMR-KRWDZBQOSA-N 2 1 337.552 3.482 20 0 EGADMP COC(=O)c1cccc2c1CC[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171641702 1384589543 /nfs/dbraw/zinc/58/95/43/1384589543.db2.gz UEUZJZOELATTQF-UHFFFAOYSA-N 2 1 344.499 3.483 20 0 EGADMP COC(=O)c1cccc2c1CC[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171641702 1384589545 /nfs/dbraw/zinc/58/95/45/1384589545.db2.gz UEUZJZOELATTQF-UHFFFAOYSA-N 2 1 344.499 3.483 20 0 EGADMP Cc1cnc(O[C@@H]2CCC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)nc1 ZINC001171640589 1384590178 /nfs/dbraw/zinc/59/01/78/1384590178.db2.gz GRPWDYBIACFAFC-QGZVFWFLSA-N 2 1 346.519 3.280 20 0 EGADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)CN1Cc1ccccc1 ZINC001171739741 1384621786 /nfs/dbraw/zinc/62/17/86/1384621786.db2.gz GARXYAASIQKNIJ-NRSPTQNISA-N 2 1 329.532 3.490 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCCC[NH2+]CCC1CCCCC1 ZINC001171817394 1384649286 /nfs/dbraw/zinc/64/92/86/1384649286.db2.gz VKWMBEQQLNHBDH-QGZVFWFLSA-N 2 1 348.535 3.427 20 0 EGADMP C[N@@H+](C1CC1)C1CC[NH+](C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC001171929249 1384685111 /nfs/dbraw/zinc/68/51/11/1384685111.db2.gz BIGJNBRTCKMIRL-UHFFFAOYSA-N 2 1 336.520 3.446 20 0 EGADMP CC1(C)C[C@H]([NH2+]C[C@@H](O)c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC001171963359 1384697500 /nfs/dbraw/zinc/69/75/00/1384697500.db2.gz HQSJWBVHGKKOAK-QZTJIDSGSA-N 2 1 328.456 3.346 20 0 EGADMP CC1(C)C[C@H]([NH2+]C[C@@H](O)c2ccco2)CC[N@H+]1Cc1ccccc1 ZINC001171963359 1384697502 /nfs/dbraw/zinc/69/75/02/1384697502.db2.gz HQSJWBVHGKKOAK-QZTJIDSGSA-N 2 1 328.456 3.346 20 0 EGADMP CC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171964875 1384697657 /nfs/dbraw/zinc/69/76/57/1384697657.db2.gz HZBHNBLDEAYXLF-FQEVSTJZSA-N 2 1 343.515 3.030 20 0 EGADMP CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171966638 1384698765 /nfs/dbraw/zinc/69/87/65/1384698765.db2.gz LVDPZGLCLGVXCA-IEBWSBKVSA-N 2 1 345.531 3.276 20 0 EGADMP CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171966638 1384698767 /nfs/dbraw/zinc/69/87/67/1384698767.db2.gz LVDPZGLCLGVXCA-IEBWSBKVSA-N 2 1 345.531 3.276 20 0 EGADMP CC1(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)OCCO1 ZINC001171971894 1384699903 /nfs/dbraw/zinc/69/99/03/1384699903.db2.gz KZOPHVRFUZSGFX-SFHVURJKSA-N 2 1 332.488 3.172 20 0 EGADMP CC(C)N1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1=O ZINC001171977327 1384702347 /nfs/dbraw/zinc/70/23/47/1384702347.db2.gz AVBKUFGGPLBVJC-RTBURBONSA-N 2 1 343.515 3.029 20 0 EGADMP C[NH+](C)C[C@@H]1CCCN1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988234 1384705020 /nfs/dbraw/zinc/70/50/20/1384705020.db2.gz PMUOKKNBKARVCU-UXHICEINSA-N 2 1 329.532 3.456 20 0 EGADMP CN1CC[C@H]2C[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171988045 1384706493 /nfs/dbraw/zinc/70/64/93/1384706493.db2.gz ODUWRYREXXRGHS-SLFFLAALSA-N 2 1 327.516 3.066 20 0 EGADMP CN1CC[C@H]2C[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171988045 1384706498 /nfs/dbraw/zinc/70/64/98/1384706498.db2.gz ODUWRYREXXRGHS-SLFFLAALSA-N 2 1 327.516 3.066 20 0 EGADMP CN1CC[C@H]2C[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171988045 1384706500 /nfs/dbraw/zinc/70/65/00/1384706500.db2.gz ODUWRYREXXRGHS-SLFFLAALSA-N 2 1 327.516 3.066 20 0 EGADMP CCN1CC[C@H]([N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001172040495 1384712155 /nfs/dbraw/zinc/71/21/55/1384712155.db2.gz XRSWAHKGZNVQTP-UFYCRDLUSA-N 2 1 343.515 3.078 20 0 EGADMP C[C@@]1(CO)CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068719 1384717503 /nfs/dbraw/zinc/71/75/03/1384717503.db2.gz KAKDMTJQSFMOKD-IVAOSVALSA-N 2 1 328.500 3.276 20 0 EGADMP C[C@@]1(CO)CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068719 1384717513 /nfs/dbraw/zinc/71/75/13/1384717513.db2.gz KAKDMTJQSFMOKD-IVAOSVALSA-N 2 1 328.500 3.276 20 0 EGADMP C[C@@]1(CO)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068719 1384717515 /nfs/dbraw/zinc/71/75/15/1384717515.db2.gz KAKDMTJQSFMOKD-IVAOSVALSA-N 2 1 328.500 3.276 20 0 EGADMP C[C@@]1(CO)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068719 1384717521 /nfs/dbraw/zinc/71/75/21/1384717521.db2.gz KAKDMTJQSFMOKD-IVAOSVALSA-N 2 1 328.500 3.276 20 0 EGADMP COC(C)(C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC001172076650 1384720961 /nfs/dbraw/zinc/72/09/61/1384720961.db2.gz KCUAEZISLVBSEC-LDLYASANSA-N 2 1 332.488 3.171 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001316951442 1384725706 /nfs/dbraw/zinc/72/57/06/1384725706.db2.gz JTOZFWSPODUIGO-FQEVSTJZSA-N 2 1 349.563 3.413 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC001172100228 1384726580 /nfs/dbraw/zinc/72/65/80/1384726580.db2.gz BOUDGGDYKJLJGT-BURNTYAHSA-N 2 1 327.516 3.428 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C2 ZINC001172106993 1384728714 /nfs/dbraw/zinc/72/87/14/1384728714.db2.gz RMUAEYREVJFQMS-BPKGMFCQSA-N 2 1 337.508 3.037 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C2 ZINC001172106993 1384728715 /nfs/dbraw/zinc/72/87/15/1384728715.db2.gz RMUAEYREVJFQMS-BPKGMFCQSA-N 2 1 337.508 3.037 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H]3[C@@H]1CCN3C(=O)OC(C)(C)C)C2 ZINC001172117523 1384732222 /nfs/dbraw/zinc/73/22/22/1384732222.db2.gz HLIIAQNITWTFNV-FLXSYLCISA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H]3[C@@H]1CCN3C(=O)OC(C)(C)C)C2 ZINC001172117523 1384732225 /nfs/dbraw/zinc/73/22/25/1384732225.db2.gz HLIIAQNITWTFNV-FLXSYLCISA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H]3[C@@H]1CCN3C(=O)OC(C)(C)C)C2 ZINC001172117523 1384732228 /nfs/dbraw/zinc/73/22/28/1384732228.db2.gz HLIIAQNITWTFNV-FLXSYLCISA-N 2 1 349.519 3.085 20 0 EGADMP CCOC(=O)CC[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172116823 1384732798 /nfs/dbraw/zinc/73/27/98/1384732798.db2.gz GVMGAOUKWGQIIF-PMOLBWCYSA-N 2 1 344.499 3.457 20 0 EGADMP CCOC(=O)CC[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172116823 1384732801 /nfs/dbraw/zinc/73/28/01/1384732801.db2.gz GVMGAOUKWGQIIF-PMOLBWCYSA-N 2 1 344.499 3.457 20 0 EGADMP CCOC(=O)CC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172116823 1384732805 /nfs/dbraw/zinc/73/28/05/1384732805.db2.gz GVMGAOUKWGQIIF-PMOLBWCYSA-N 2 1 344.499 3.457 20 0 EGADMP CCOC(=O)CC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172116823 1384732809 /nfs/dbraw/zinc/73/28/09/1384732809.db2.gz GVMGAOUKWGQIIF-PMOLBWCYSA-N 2 1 344.499 3.457 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(NC(=O)CC(C)(C)C)CC1)C2 ZINC001172123333 1384734248 /nfs/dbraw/zinc/73/42/48/1384734248.db2.gz BWUOAUZVIREWSM-PIIMJCKOSA-N 2 1 335.536 3.019 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(NC(=O)CC(C)(C)C)CC1)C2 ZINC001172123333 1384734253 /nfs/dbraw/zinc/73/42/53/1384734253.db2.gz BWUOAUZVIREWSM-PIIMJCKOSA-N 2 1 335.536 3.019 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3CCC[C@@H]3[C@H]1C(=O)OC(C)(C)C)C2 ZINC001172126148 1384735312 /nfs/dbraw/zinc/73/53/12/1384735312.db2.gz SPFIGZZIJYCOMG-YCOHNSLCSA-N 2 1 348.531 3.444 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3CCC[C@@H]3[C@H]1C(=O)OC(C)(C)C)C2 ZINC001172126148 1384735313 /nfs/dbraw/zinc/73/53/13/1384735313.db2.gz SPFIGZZIJYCOMG-YCOHNSLCSA-N 2 1 348.531 3.444 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@@H]3CCC[C@@H]3[C@H]1C(=O)OC(C)(C)C)C2 ZINC001172126148 1384735316 /nfs/dbraw/zinc/73/53/16/1384735316.db2.gz SPFIGZZIJYCOMG-YCOHNSLCSA-N 2 1 348.531 3.444 20 0 EGADMP COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129930 1384737830 /nfs/dbraw/zinc/73/78/30/1384737830.db2.gz MFQKEOPNGWADAK-IJXRJRJASA-N 2 1 344.499 3.456 20 0 EGADMP COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129930 1384737833 /nfs/dbraw/zinc/73/78/33/1384737833.db2.gz MFQKEOPNGWADAK-IJXRJRJASA-N 2 1 344.499 3.456 20 0 EGADMP COC(=O)C[C@H](C)[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129930 1384737836 /nfs/dbraw/zinc/73/78/36/1384737836.db2.gz MFQKEOPNGWADAK-IJXRJRJASA-N 2 1 344.499 3.456 20 0 EGADMP COC(=O)C[C@H](C)[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129930 1384737840 /nfs/dbraw/zinc/73/78/40/1384737840.db2.gz MFQKEOPNGWADAK-IJXRJRJASA-N 2 1 344.499 3.456 20 0 EGADMP COC1CC[NH+](C2CC[NH+]([C@H]3CSc4ccccc4C3)CC2)CC1 ZINC001172209281 1384748866 /nfs/dbraw/zinc/74/88/66/1384748866.db2.gz PMDHKIRDJYCNFD-GOSISDBHSA-N 2 1 346.540 3.279 20 0 EGADMP COc1cccc(C[N@H+](C2C[C@H]3CC[C@@H](C2)O3)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001172223378 1384751260 /nfs/dbraw/zinc/75/12/60/1384751260.db2.gz SZTGOOOOIFUSEF-IODSQDMPSA-N 2 1 344.499 3.477 20 0 EGADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001172356100 1384776525 /nfs/dbraw/zinc/77/65/25/1384776525.db2.gz XMISKCIOSABONZ-JENIJYKNSA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001172356100 1384776528 /nfs/dbraw/zinc/77/65/28/1384776528.db2.gz XMISKCIOSABONZ-JENIJYKNSA-N 2 1 326.525 3.155 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001172621759 1384820891 /nfs/dbraw/zinc/82/08/91/1384820891.db2.gz GKEIUDNTTUAJIG-QZTJIDSGSA-N 2 1 334.504 3.059 20 0 EGADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172652308 1384826564 /nfs/dbraw/zinc/82/65/64/1384826564.db2.gz OZULPIQYYWTPQM-UHFFFAOYSA-N 3 1 327.557 3.198 20 0 EGADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001172717154 1384836203 /nfs/dbraw/zinc/83/62/03/1384836203.db2.gz QLNKGMLGKQAUIN-KRWDZBQOSA-N 3 1 337.939 3.283 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CC1 ZINC001172781071 1384851172 /nfs/dbraw/zinc/85/11/72/1384851172.db2.gz UVRONURHQIQTKT-HZPDHXFCSA-N 2 1 348.462 3.197 20 0 EGADMP COCC[NH+]1CCC([NH2+]C2CCC(Cc3ccccc3)CC2)CC1 ZINC001172820650 1384859020 /nfs/dbraw/zinc/85/90/20/1384859020.db2.gz IQOMXFVCOOHKJQ-UHFFFAOYSA-N 2 1 330.516 3.488 20 0 EGADMP CC(C)(C)OC(=O)C[NH+]1CCC(n2cc(C[NH3+])c3ccccc32)CC1 ZINC001172882625 1384872187 /nfs/dbraw/zinc/87/21/87/1384872187.db2.gz DOLDVSLYSFSNCZ-UHFFFAOYSA-N 2 1 343.471 3.079 20 0 EGADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173055168 1384902724 /nfs/dbraw/zinc/90/27/24/1384902724.db2.gz RKUGXTVUOYSJPD-SJORKVTESA-N 2 1 341.540 3.486 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1)[NH+](C)C ZINC001317145075 1384913371 /nfs/dbraw/zinc/91/33/71/1384913371.db2.gz WVDWIWAUKNUXBZ-ZWKOTPCHSA-N 2 1 339.568 3.227 20 0 EGADMP CCOC[C@H]1C[N@H+](C2CCC([NH+](CC)CC)CC2)Cc2cnn(C)c21 ZINC001173109116 1384916421 /nfs/dbraw/zinc/91/64/21/1384916421.db2.gz GHNUJOMDIIIGLE-LMDPOFIKSA-N 2 1 348.535 3.009 20 0 EGADMP COc1cccc2c1C[C@@H]([N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)CO2 ZINC001173162806 1384927814 /nfs/dbraw/zinc/92/78/14/1384927814.db2.gz ZANBEJCNXCDAJB-DJIMGWMZSA-N 2 1 330.472 3.123 20 0 EGADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001173348197 1384962717 /nfs/dbraw/zinc/96/27/17/1384962717.db2.gz GVKPSHMRSRIUGI-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001173348197 1384962721 /nfs/dbraw/zinc/96/27/21/1384962721.db2.gz GVKPSHMRSRIUGI-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1cccc(N(C2Cc3cc(F)c(F)cc3C2)C2CC[NH2+]CC2)[nH+]1 ZINC001173481638 1384979394 /nfs/dbraw/zinc/97/93/94/1384979394.db2.gz PCOBWFKBFJROLA-UHFFFAOYSA-N 2 1 343.421 3.394 20 0 EGADMP CCOC(=O)[C@H]1CC12CCC([N@H+]1CCCC[C@H](CCC[NH3+])C1)CC2 ZINC001173613981 1384988518 /nfs/dbraw/zinc/98/85/18/1384988518.db2.gz MLFMJVFMODQGIJ-BOHSKOPMSA-N 2 1 336.520 3.339 20 0 EGADMP [NH3+]CCCC[NH+]1CCN(C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173685594 1385004566 /nfs/dbraw/zinc/00/45/66/1385004566.db2.gz DPAHJEUYHHTGQC-UHFFFAOYSA-N 2 1 341.543 3.170 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC(C)C)C1 ZINC001174880774 1385164059 /nfs/dbraw/zinc/16/40/59/1385164059.db2.gz HEWBUMXLQALGEJ-ZWKOTPCHSA-N 2 1 325.541 3.029 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001174880751 1385164106 /nfs/dbraw/zinc/16/41/06/1385164106.db2.gz GVYHYIFMWAJRPD-PXNSSMCTSA-N 2 1 349.563 3.458 20 0 EGADMP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174906728 1385168666 /nfs/dbraw/zinc/16/86/66/1385168666.db2.gz WWMBDNJCDBKXIL-NEPBSLMDSA-N 2 1 337.552 3.338 20 0 EGADMP COC1CCC(CC(=O)Nc2cnccc2-n2ccnc2C)CC1 ZINC001335931880 1388969908 /nfs/dbraw/zinc/96/99/08/1388969908.db2.gz FPTXAWVFPZEPJA-UHFFFAOYSA-N 2 1 328.416 3.110 20 0 EGADMP C[C@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175255884 1385231118 /nfs/dbraw/zinc/23/11/18/1385231118.db2.gz IMXLZFUULIENLQ-IAGOWNOFSA-N 2 1 349.494 3.075 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175262113 1385232658 /nfs/dbraw/zinc/23/26/58/1385232658.db2.gz AZJDRKHCHNNWNI-RBUKOAKNSA-N 2 1 349.563 3.483 20 0 EGADMP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175262650 1385233491 /nfs/dbraw/zinc/23/34/91/1385233491.db2.gz JCGJJWAJRHKBMM-ZWKOTPCHSA-N 2 1 335.536 3.093 20 0 EGADMP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175265030 1385234288 /nfs/dbraw/zinc/23/42/88/1385234288.db2.gz WTRMLHLRKWTTGA-ZWKOTPCHSA-N 2 1 337.552 3.173 20 0 EGADMP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175273800 1385237846 /nfs/dbraw/zinc/23/78/46/1385237846.db2.gz WOPRCKZYXVTMEJ-IRXDYDNUSA-N 2 1 325.541 3.029 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175295609 1385242544 /nfs/dbraw/zinc/24/25/44/1385242544.db2.gz HLZRHDMZMFOILN-IAGOWNOFSA-N 2 1 327.557 3.275 20 0 EGADMP CCC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@H](C)c1ccccc1F ZINC001317544681 1385289918 /nfs/dbraw/zinc/28/99/18/1385289918.db2.gz AQLYJSUNPQPXOC-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H](C)c1ccccc1F ZINC001317544681 1385289919 /nfs/dbraw/zinc/28/99/19/1385289919.db2.gz AQLYJSUNPQPXOC-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[C@H](C)c1ccccc1F ZINC001317544681 1385289921 /nfs/dbraw/zinc/28/99/21/1385289921.db2.gz AQLYJSUNPQPXOC-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+][C@@H](CC)c2ccccc2)C1 ZINC001317623132 1385358493 /nfs/dbraw/zinc/35/84/93/1385358493.db2.gz LCBPKZHXNAINCH-UXHICEINSA-N 2 1 345.531 3.308 20 0 EGADMP CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317766829 1385456336 /nfs/dbraw/zinc/45/63/36/1385456336.db2.gz JINJXPNVTPNUHA-KRWDZBQOSA-N 2 1 334.508 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@H](N(CCC)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317766829 1385456338 /nfs/dbraw/zinc/45/63/38/1385456338.db2.gz JINJXPNVTPNUHA-KRWDZBQOSA-N 2 1 334.508 3.120 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]C(C)C ZINC001176111413 1385486695 /nfs/dbraw/zinc/48/66/95/1385486695.db2.gz HQSTXLOKLJCQTR-ZWKOTPCHSA-N 2 1 325.541 3.314 20 0 EGADMP CC[C@@H](C(=O)N(Cc1ccccc1)[C@H]1CCC[N@H+](C(C)C)C1)[NH+](C)C ZINC001317865439 1385549533 /nfs/dbraw/zinc/54/95/33/1385549533.db2.gz KXLJEZQXVJWEHN-PMACEKPBSA-N 2 1 345.531 3.228 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001318300969 1385645534 /nfs/dbraw/zinc/64/55/34/1385645534.db2.gz IJBSZAGMALDQBF-OBNUAKFSSA-N 2 1 335.536 3.044 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001318301759 1385646024 /nfs/dbraw/zinc/64/60/24/1385646024.db2.gz UWPVISWNNKOWCQ-IBGZPJMESA-N 2 1 335.536 3.023 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001176754672 1385684945 /nfs/dbraw/zinc/68/49/45/1385684945.db2.gz XTPNJVPPZCWITO-GOSISDBHSA-N 2 1 333.520 3.100 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001176986423 1385764259 /nfs/dbraw/zinc/76/42/59/1385764259.db2.gz NWBMDBZCSGXVNL-FQEVSTJZSA-N 2 1 345.531 3.280 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC)c1ccc(F)cc1 ZINC001176992662 1385767486 /nfs/dbraw/zinc/76/74/86/1385767486.db2.gz WZQLUXVWNWFORP-RBUKOAKNSA-N 2 1 349.494 3.247 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CCCC(C)(C)C)c1ccccc1 ZINC001177016654 1385773507 /nfs/dbraw/zinc/77/35/07/1385773507.db2.gz MYRBWNLYGOLOEM-SFHVURJKSA-N 2 1 333.520 3.212 20 0 EGADMP CCCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001177266339 1385889776 /nfs/dbraw/zinc/88/97/76/1385889776.db2.gz DWLZULNUUCRBOT-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001177267815 1385890448 /nfs/dbraw/zinc/89/04/48/1385890448.db2.gz YVZNJZHYFHONMK-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001177349110 1385924476 /nfs/dbraw/zinc/92/44/76/1385924476.db2.gz YIAYQQNQVAILPQ-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP O=C(NCCC1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001319021018 1385931276 /nfs/dbraw/zinc/93/12/76/1385931276.db2.gz QVNCCWJJSJOPMC-HXUWFJFHSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(CCC[NH2+]CCC2CC2)CC2CCCC2)C1 ZINC001177415579 1385948846 /nfs/dbraw/zinc/94/88/46/1385948846.db2.gz DBUTZEHPVKUXJA-GOSISDBHSA-N 2 1 349.563 3.127 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(CCC[NH2+]C(C)C)CC1CCCC1 ZINC001177440345 1385957404 /nfs/dbraw/zinc/95/74/04/1385957404.db2.gz HDAXIUWZFFQQCU-UHFFFAOYSA-N 2 1 348.535 3.379 20 0 EGADMP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001177440144 1385957676 /nfs/dbraw/zinc/95/76/76/1385957676.db2.gz AFFBSYMLVZIBEC-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001177440154 1385957704 /nfs/dbraw/zinc/95/77/04/1385957704.db2.gz BDRRQTRDTRHHPW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001177488757 1385975915 /nfs/dbraw/zinc/97/59/15/1385975915.db2.gz KZYUEAMQLNMFQA-FQEVSTJZSA-N 2 1 345.531 3.308 20 0 EGADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCc4ccccc43)c2)CC1 ZINC001319290252 1386046174 /nfs/dbraw/zinc/04/61/74/1386046174.db2.gz OMFNUMYMVBLDAN-QFIPXVFZSA-N 2 1 335.495 3.211 20 0 EGADMP CC[C@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCC1)c1ccccc1 ZINC001319368835 1386084703 /nfs/dbraw/zinc/08/47/03/1386084703.db2.gz JQUUCVUCCURJII-RBUKOAKNSA-N 2 1 343.515 3.251 20 0 EGADMP Cc1cc(F)ccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001178291591 1386181798 /nfs/dbraw/zinc/18/17/98/1386181798.db2.gz ZJUFPNOMGOUREW-OAQYLSRUSA-N 2 1 342.458 3.381 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCCC1 ZINC001698635141 1406280139 /nfs/dbraw/zinc/28/01/39/1406280139.db2.gz ZBEXMCWFKWVWFA-ROUUACIJSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178483586 1386231351 /nfs/dbraw/zinc/23/13/51/1386231351.db2.gz FMELDVWFWLPEQP-RTBURBONSA-N 2 1 335.536 3.093 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]CC2=CCCCC2)CC[N@H+]1C ZINC001178528305 1386241979 /nfs/dbraw/zinc/24/19/79/1386241979.db2.gz VJVOGONQDZFLHT-VQTJNVASSA-N 2 1 349.563 3.483 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]CCC2CC2)C1 ZINC001178688534 1386277732 /nfs/dbraw/zinc/27/77/32/1386277732.db2.gz LNPZXKQYZFIYIE-IBGZPJMESA-N 2 1 337.552 3.031 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001178688256 1386277878 /nfs/dbraw/zinc/27/78/78/1386277878.db2.gz JCBFESDAEHWIEW-LJQANCHMSA-N 2 1 337.552 3.197 20 0 EGADMP CC(C)(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001178698598 1386281578 /nfs/dbraw/zinc/28/15/78/1386281578.db2.gz NHKMPHJLDNDQFI-QGZVFWFLSA-N 2 1 348.535 3.463 20 0 EGADMP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001178698346 1386281586 /nfs/dbraw/zinc/28/15/86/1386281586.db2.gz DTHJVPYRGRRWOL-SFHVURJKSA-N 2 1 348.535 3.463 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001178698914 1386282368 /nfs/dbraw/zinc/28/23/68/1386282368.db2.gz ZLTDUCKFXAPMES-IAGOWNOFSA-N 2 1 334.508 3.073 20 0 EGADMP C[N@@H+](CC(=O)NCCCCCC[NH2+]Cc1ccc(F)cc1)C1CCC1 ZINC001178702388 1386282958 /nfs/dbraw/zinc/28/29/58/1386282958.db2.gz NTRNZHRHGDRIGJ-UHFFFAOYSA-N 2 1 349.494 3.076 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001178728721 1386290948 /nfs/dbraw/zinc/29/09/48/1386290948.db2.gz CBLXKNDPZKYTAO-MSOLQXFVSA-N 2 1 325.541 3.173 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001178832106 1386321417 /nfs/dbraw/zinc/32/14/17/1386321417.db2.gz DNVRLOWERWCPTN-LJQANCHMSA-N 2 1 337.552 3.317 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccccc2)C1 ZINC001319828138 1386321469 /nfs/dbraw/zinc/32/14/69/1386321469.db2.gz UBOHRDHUUJCFQB-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001178889862 1386339438 /nfs/dbraw/zinc/33/94/38/1386339438.db2.gz AHKPJTDEHWWCPB-OJKDGVKWSA-N 2 1 344.503 3.086 20 0 EGADMP CCC(CC)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001320009623 1386451277 /nfs/dbraw/zinc/45/12/77/1386451277.db2.gz VNNWHVCDYZMUFC-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001320009623 1386451279 /nfs/dbraw/zinc/45/12/79/1386451279.db2.gz VNNWHVCDYZMUFC-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001320009623 1386451280 /nfs/dbraw/zinc/45/12/80/1386451280.db2.gz VNNWHVCDYZMUFC-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]2C)C1 ZINC001179388490 1386471243 /nfs/dbraw/zinc/47/12/43/1386471243.db2.gz JLQUYJRVVZHZFF-KSZLIROESA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001179388776 1386472252 /nfs/dbraw/zinc/47/22/52/1386472252.db2.gz QVFKZZLIAARWBU-HBCQFFLPSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001179585485 1386523974 /nfs/dbraw/zinc/52/39/74/1386523974.db2.gz IXOMHXIWGBSBOD-OXUXSNCKSA-N 2 1 337.552 3.197 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001179591223 1386526038 /nfs/dbraw/zinc/52/60/38/1386526038.db2.gz PZHBIVSNSYYDAC-MJGOQNOKSA-N 2 1 337.552 3.031 20 0 EGADMP CCC(CC)C[NH2+]CCCCCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001179592818 1386526541 /nfs/dbraw/zinc/52/65/41/1386526541.db2.gz PZPROEGGUHUEDE-UHFFFAOYSA-N 2 1 339.568 3.421 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001179719344 1386564144 /nfs/dbraw/zinc/56/41/44/1386564144.db2.gz BYQZRZBDOGINGO-XZJTZLQGSA-N 2 1 346.519 3.297 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179788305 1386586455 /nfs/dbraw/zinc/58/64/55/1386586455.db2.gz VHGSCWZAQASJFO-MOPGFXCFSA-N 2 1 335.536 3.236 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C(C)C)[C@@H]1C ZINC001179861177 1386610264 /nfs/dbraw/zinc/61/02/64/1386610264.db2.gz ONZCMZJHRVBTKM-PXNSSMCTSA-N 2 1 345.531 3.231 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001179989221 1386659778 /nfs/dbraw/zinc/65/97/78/1386659778.db2.gz VAUFZSYTOBRRGG-QRVBRYPASA-N 2 1 337.552 3.031 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]CCc1ccc(C)cc1 ZINC001180123228 1386703645 /nfs/dbraw/zinc/70/36/45/1386703645.db2.gz BNQHVYURNWJHMV-UHFFFAOYSA-N 2 1 347.547 3.146 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)CC1 ZINC001180142376 1386711933 /nfs/dbraw/zinc/71/19/33/1386711933.db2.gz NYWYBLIAAXNHMC-MOPGFXCFSA-N 2 1 329.532 3.313 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C)c1ccccc1 ZINC001180226672 1386738920 /nfs/dbraw/zinc/73/89/20/1386738920.db2.gz GBKICRNZEUIDBP-UHOSZYNNSA-N 2 1 331.504 3.057 20 0 EGADMP CCc1ccc(C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001180369493 1386775749 /nfs/dbraw/zinc/77/57/49/1386775749.db2.gz ISPONDRBYAVAQH-UHFFFAOYSA-N 2 1 347.547 3.355 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001180369404 1386775940 /nfs/dbraw/zinc/77/59/40/1386775940.db2.gz DCNGPKXUYRBKEC-INIZCTEOSA-N 2 1 347.494 3.028 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCCCCCC[NH2+]CC1CCC1)c1ccccc1 ZINC001180375637 1386778589 /nfs/dbraw/zinc/77/85/89/1386778589.db2.gz MDLQTENTYLDSQT-HXUWFJFHSA-N 2 1 345.531 3.356 20 0 EGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001321069261 1386798985 /nfs/dbraw/zinc/79/89/85/1386798985.db2.gz AQNPDWCIOFEOOM-UHFFFAOYSA-N 2 1 326.488 3.441 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001322127720 1387066509 /nfs/dbraw/zinc/06/65/09/1387066509.db2.gz SWFXDEDMYUACRF-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001322127720 1387066513 /nfs/dbraw/zinc/06/65/13/1387066513.db2.gz SWFXDEDMYUACRF-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001322127720 1387066518 /nfs/dbraw/zinc/06/65/18/1387066518.db2.gz SWFXDEDMYUACRF-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@]1(C)C[NH2+]CCC1CCCC1 ZINC001181903408 1387073538 /nfs/dbraw/zinc/07/35/38/1387073538.db2.gz HXMGNGAQVWOCFS-YFVAEKQCSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001322267938 1387128623 /nfs/dbraw/zinc/12/86/23/1387128623.db2.gz AGYCUPHZQZPEEL-AZUAARDMSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H](C[N@@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001322268688 1387129655 /nfs/dbraw/zinc/12/96/55/1387129655.db2.gz GFJHPJPTIUSLDI-SJORKVTESA-N 2 1 349.494 3.055 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182590781 1387193006 /nfs/dbraw/zinc/19/30/06/1387193006.db2.gz SZTHSBKAOLUIJR-RAEMOODJSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001182629929 1387198995 /nfs/dbraw/zinc/19/89/95/1387198995.db2.gz PKWAMHJJQBDOIT-YLJYHZDGSA-N 2 1 339.568 3.085 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001336071466 1389006850 /nfs/dbraw/zinc/00/68/50/1389006850.db2.gz JQPJEOBDKVOVHU-FDYSRKEFSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(C)c1 ZINC001329490752 1389130924 /nfs/dbraw/zinc/13/09/24/1389130924.db2.gz NYCNMSDUAVEORY-SFHVURJKSA-N 2 1 343.515 3.404 20 0 EGADMP CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001329952347 1389271553 /nfs/dbraw/zinc/27/15/53/1389271553.db2.gz JUJXXNDGLGFLDY-HXUWFJFHSA-N 2 1 345.531 3.279 20 0 EGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001329952347 1389271556 /nfs/dbraw/zinc/27/15/56/1389271556.db2.gz JUJXXNDGLGFLDY-HXUWFJFHSA-N 2 1 345.531 3.279 20 0 EGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001329952347 1389271557 /nfs/dbraw/zinc/27/15/57/1389271557.db2.gz JUJXXNDGLGFLDY-HXUWFJFHSA-N 2 1 345.531 3.279 20 0 EGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001329952347 1389271563 /nfs/dbraw/zinc/27/15/63/1389271563.db2.gz JUJXXNDGLGFLDY-HXUWFJFHSA-N 2 1 345.531 3.279 20 0 EGADMP CC(C)n1ncc2c1[C@H]([NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])CCC2 ZINC001331819080 1389878429 /nfs/dbraw/zinc/87/84/29/1389878429.db2.gz BHKNAFZHLLKSAJ-IPELMVKDSA-N 2 1 326.488 3.390 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+]CCC23CCC3)cc1)C(C)C ZINC001332048856 1389957841 /nfs/dbraw/zinc/95/78/41/1389957841.db2.gz GTWYENIIAVMTSQ-UHFFFAOYSA-N 2 1 343.515 3.275 20 0 EGADMP C[NH2+][C@H](C)CCNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001332173597 1390020756 /nfs/dbraw/zinc/02/07/56/1390020756.db2.gz KTNWQEFBGMYVQL-QGZVFWFLSA-N 2 1 339.483 3.046 20 0 EGADMP CSCC[C@@H]([NH3+])C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001340012062 1390207348 /nfs/dbraw/zinc/20/73/48/1390207348.db2.gz NIWCFVUCMCMVGG-QGZVFWFLSA-N 2 1 349.544 3.470 20 0 EGADMP C[C@@H]1C[C@H](CCNC(=O)C[C@H]([NH3+])C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC001340428777 1390287457 /nfs/dbraw/zinc/28/74/57/1390287457.db2.gz KIYROVDEEJCGSV-NEWSRXKRSA-N 2 1 345.531 3.167 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCN(c4ccccc4)C3)C[C@H]2C1 ZINC001333841081 1390420367 /nfs/dbraw/zinc/42/03/67/1390420367.db2.gz KGFFVTWZNKHWBO-ANTGDGSKSA-N 2 1 327.516 3.175 20 0 EGADMP O=C(CCC1CCCCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001342535324 1390623765 /nfs/dbraw/zinc/62/37/65/1390623765.db2.gz JJCOGZSFCFGMHJ-BGYRXZFFSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)N(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cn1 ZINC001343334278 1390707932 /nfs/dbraw/zinc/70/79/32/1390707932.db2.gz RTLBMUVLGIHGEO-GBESFXJTSA-N 2 1 330.520 3.088 20 0 EGADMP CC(C)C(NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC001343609279 1390726130 /nfs/dbraw/zinc/72/61/30/1390726130.db2.gz MWTJJMYYHJNZIP-UHFFFAOYSA-N 2 1 345.531 3.167 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CN3CC[C@@H](C4CCCCC4)C3=O)C[C@@H]2C1 ZINC001345108843 1390838171 /nfs/dbraw/zinc/83/81/71/1390838171.db2.gz OSTRWVVPVVJTGU-WCIQWLHISA-N 2 1 347.547 3.035 20 0 EGADMP O[C@H](C[NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccc(F)cc1F ZINC001346124079 1390909281 /nfs/dbraw/zinc/90/92/81/1390909281.db2.gz ZHHHPXNLASFHSA-LJQANCHMSA-N 2 1 338.442 3.242 20 0 EGADMP COc1cccc(-c2nc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)co2)c1 ZINC001348560209 1391238879 /nfs/dbraw/zinc/23/88/79/1391238879.db2.gz BJOZZONOOJMZFP-UHFFFAOYSA-N 2 1 341.455 3.316 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3N[C@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC001350925717 1391560260 /nfs/dbraw/zinc/56/02/60/1391560260.db2.gz DCHGCDUEJNMPET-INFJVKRUSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3CC[C@@H](C2)C3N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001350925717 1391560263 /nfs/dbraw/zinc/56/02/63/1391560263.db2.gz DCHGCDUEJNMPET-INFJVKRUSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3CC[C@@H](C2)C3N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001350925717 1391560264 /nfs/dbraw/zinc/56/02/64/1391560264.db2.gz DCHGCDUEJNMPET-INFJVKRUSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC001350925717 1391560268 /nfs/dbraw/zinc/56/02/68/1391560268.db2.gz DCHGCDUEJNMPET-INFJVKRUSA-N 3 1 339.527 3.113 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC001350925717 1391560270 /nfs/dbraw/zinc/56/02/70/1391560270.db2.gz DCHGCDUEJNMPET-INFJVKRUSA-N 3 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001350925717 1391560273 /nfs/dbraw/zinc/56/02/73/1391560273.db2.gz DCHGCDUEJNMPET-INFJVKRUSA-N 3 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001350925717 1391560277 /nfs/dbraw/zinc/56/02/77/1391560277.db2.gz DCHGCDUEJNMPET-INFJVKRUSA-N 3 1 339.527 3.113 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001351288023 1391621789 /nfs/dbraw/zinc/62/17/89/1391621789.db2.gz KNTVYTSKZBOVTN-RTBURBONSA-N 2 1 331.504 3.059 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC3CCCCCC3)CC[C@@H]2C1 ZINC001479672422 1392313016 /nfs/dbraw/zinc/31/30/16/1392313016.db2.gz IWXDLXSTTCFINU-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CC3CCCCCC3)CC[C@@H]2C1 ZINC001479672422 1392313022 /nfs/dbraw/zinc/31/30/22/1392313022.db2.gz IWXDLXSTTCFINU-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CC3CCCCCC3)CC[C@@H]2C1 ZINC001479672422 1392313023 /nfs/dbraw/zinc/31/30/23/1392313023.db2.gz IWXDLXSTTCFINU-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001480849348 1392982161 /nfs/dbraw/zinc/98/21/61/1392982161.db2.gz WPLLEVPKVCXTQZ-VQIMIIECSA-N 2 1 345.531 3.187 20 0 EGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001480849348 1392982164 /nfs/dbraw/zinc/98/21/64/1392982164.db2.gz WPLLEVPKVCXTQZ-VQIMIIECSA-N 2 1 345.531 3.187 20 0 EGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001480849348 1392982166 /nfs/dbraw/zinc/98/21/66/1392982166.db2.gz WPLLEVPKVCXTQZ-VQIMIIECSA-N 2 1 345.531 3.187 20 0 EGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480945945 1393039771 /nfs/dbraw/zinc/03/97/71/1393039771.db2.gz GOMKGGFXNIJXKF-SJLPKXTDSA-N 2 1 345.531 3.045 20 0 EGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480945945 1393039775 /nfs/dbraw/zinc/03/97/75/1393039775.db2.gz GOMKGGFXNIJXKF-SJLPKXTDSA-N 2 1 345.531 3.045 20 0 EGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480945945 1393039778 /nfs/dbraw/zinc/03/97/78/1393039778.db2.gz GOMKGGFXNIJXKF-SJLPKXTDSA-N 2 1 345.531 3.045 20 0 EGADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)CCC1CCCC1)[NH+]1CCCCC1 ZINC001480951936 1393042987 /nfs/dbraw/zinc/04/29/87/1393042987.db2.gz RYSBAHLDKLTZML-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@H+](CC/C=C/c1ccccc1)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001480982752 1393066096 /nfs/dbraw/zinc/06/60/96/1393066096.db2.gz GHXFYTRBALAXSV-NBSXQYNISA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](CC/C=C/c1ccccc1)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001480982752 1393066098 /nfs/dbraw/zinc/06/60/98/1393066098.db2.gz GHXFYTRBALAXSV-NBSXQYNISA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](CC/C=C/c1ccccc1)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001480982752 1393066102 /nfs/dbraw/zinc/06/61/02/1393066102.db2.gz GHXFYTRBALAXSV-NBSXQYNISA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001481121272 1393125446 /nfs/dbraw/zinc/12/54/46/1393125446.db2.gz WTUDEGZWMWVTBO-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC001481121272 1393125447 /nfs/dbraw/zinc/12/54/47/1393125447.db2.gz WTUDEGZWMWVTBO-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC001481121272 1393125448 /nfs/dbraw/zinc/12/54/48/1393125448.db2.gz WTUDEGZWMWVTBO-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)c1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[NH2+]CC2CC2)cc1 ZINC001481357706 1393179061 /nfs/dbraw/zinc/17/90/61/1393179061.db2.gz IRTZKVAAKRSBNF-WOJBJXKFSA-N 2 1 343.515 3.061 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001490421000 1394221777 /nfs/dbraw/zinc/22/17/77/1394221777.db2.gz FZJYSHBVJCPPDS-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CCCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CC[N@H+](C(C)C)C1 ZINC001481404078 1394257104 /nfs/dbraw/zinc/25/71/04/1394257104.db2.gz VJNMMWMVRKRXGA-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001490579867 1394272133 /nfs/dbraw/zinc/27/21/33/1394272133.db2.gz YYPWXQWELYZISJ-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)Cc2cccc(C)c2)C1 ZINC001490777719 1394341600 /nfs/dbraw/zinc/34/16/00/1394341600.db2.gz RITHFCIAFWLYDB-HXUWFJFHSA-N 2 1 345.531 3.007 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H](C[N@H+](C)Cc2cccc(C)c2)C1 ZINC001490777719 1394341604 /nfs/dbraw/zinc/34/16/04/1394341604.db2.gz RITHFCIAFWLYDB-HXUWFJFHSA-N 2 1 345.531 3.007 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H](C[N@@H+](C)Cc2cccc(C)c2)C1 ZINC001490777719 1394341609 /nfs/dbraw/zinc/34/16/09/1394341609.db2.gz RITHFCIAFWLYDB-HXUWFJFHSA-N 2 1 345.531 3.007 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001491126775 1394442878 /nfs/dbraw/zinc/44/28/78/1394442878.db2.gz SQQCHNWFYHCNHD-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(C)cc2C)C1 ZINC001481749740 1394494394 /nfs/dbraw/zinc/49/43/94/1394494394.db2.gz VMFWXVNLEQUMIM-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC001481749740 1394494397 /nfs/dbraw/zinc/49/43/97/1394494397.db2.gz VMFWXVNLEQUMIM-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001481749740 1394494398 /nfs/dbraw/zinc/49/43/98/1394494398.db2.gz VMFWXVNLEQUMIM-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+](C)CC2CC2)CC1 ZINC001482505329 1395058373 /nfs/dbraw/zinc/05/83/73/1395058373.db2.gz HKBUENMZQQKCLA-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC(CC[N@H+](C)CC2CC2)CC1 ZINC001482505329 1395058375 /nfs/dbraw/zinc/05/83/75/1395058375.db2.gz HKBUENMZQQKCLA-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC(CC[N@@H+](C)CC2CC2)CC1 ZINC001482505329 1395058380 /nfs/dbraw/zinc/05/83/80/1395058380.db2.gz HKBUENMZQQKCLA-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)C[C@H]1C ZINC001483917296 1395143926 /nfs/dbraw/zinc/14/39/26/1395143926.db2.gz VFBQJGHLPDVNCI-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001485300731 1395779946 /nfs/dbraw/zinc/77/99/46/1395779946.db2.gz FPMKFRRYASLCBB-ROUUACIJSA-N 2 1 345.531 3.449 20 0 EGADMP CCC[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001494214430 1396403665 /nfs/dbraw/zinc/40/36/65/1396403665.db2.gz INVXRUMROXYOQY-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001494271990 1396414885 /nfs/dbraw/zinc/41/48/85/1396414885.db2.gz RRZDEYPXZYKDNV-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001494271990 1396414890 /nfs/dbraw/zinc/41/48/90/1396414890.db2.gz RRZDEYPXZYKDNV-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001494271990 1396414892 /nfs/dbraw/zinc/41/48/92/1396414892.db2.gz RRZDEYPXZYKDNV-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccccc1 ZINC001689109149 1396915796 /nfs/dbraw/zinc/91/57/96/1396915796.db2.gz YAMURWSRDFDGQB-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCCN(C(=O)C[N@H+](C)Cc1ccccc1)C1CC[NH+](C(C)C)CC1 ZINC001690138721 1404336501 /nfs/dbraw/zinc/33/65/01/1404336501.db2.gz NIPKREIYOWNZMR-UHFFFAOYSA-N 2 1 345.531 3.230 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)Cc1ccccc1)C1CC[NH+](C(C)C)CC1 ZINC001690138721 1404336509 /nfs/dbraw/zinc/33/65/09/1404336509.db2.gz NIPKREIYOWNZMR-UHFFFAOYSA-N 2 1 345.531 3.230 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001690785577 1404733071 /nfs/dbraw/zinc/73/30/71/1404733071.db2.gz WAHKGGHYEHOBFL-UXHICEINSA-N 2 1 345.531 3.162 20 0 EGADMP CC[C@@H](C(=O)NCC[N@@H+](CC)[C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001691047421 1404959493 /nfs/dbraw/zinc/95/94/93/1404959493.db2.gz BHGXFPXEPHRTAY-YOEHRIQHSA-N 2 1 339.911 3.179 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001691085108 1405019153 /nfs/dbraw/zinc/01/91/53/1405019153.db2.gz BGQIKYBLLOUJRR-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001691108388 1405048886 /nfs/dbraw/zinc/04/88/86/1405048886.db2.gz IEDQGNANCNGMSI-FQEVSTJZSA-N 2 1 349.563 3.413 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001691441363 1405271221 /nfs/dbraw/zinc/27/12/21/1405271221.db2.gz OPSCDYYFAZVQEX-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC2(C[C@@H]1C)CC[NH+](CC1CC(C)C1)CC2 ZINC001691960024 1405676811 /nfs/dbraw/zinc/67/68/11/1405676811.db2.gz JAGBQILFGGFSJR-XBMUEBEBSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CC(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001692217901 1405850751 /nfs/dbraw/zinc/85/07/51/1405850751.db2.gz SFECSRMDYCTJJO-QGZVFWFLSA-N 2 1 343.515 3.203 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CC(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001692217901 1405850758 /nfs/dbraw/zinc/85/07/58/1405850758.db2.gz SFECSRMDYCTJJO-QGZVFWFLSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(CC)[C@@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001698587368 1406206671 /nfs/dbraw/zinc/20/66/71/1406206671.db2.gz NQTUBEWJIOEEID-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N(CC)[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001698587368 1406206673 /nfs/dbraw/zinc/20/66/73/1406206673.db2.gz NQTUBEWJIOEEID-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001698587368 1406206675 /nfs/dbraw/zinc/20/66/75/1406206675.db2.gz NQTUBEWJIOEEID-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001732134614 1428380972 /nfs/dbraw/zinc/38/09/72/1428380972.db2.gz PIHJXWSPGKALSN-IBGZPJMESA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001732317952 1428528476 /nfs/dbraw/zinc/52/84/76/1428528476.db2.gz SYPPKZZSGRTBMK-HXUWFJFHSA-N 2 1 345.531 3.169 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001732399186 1428565669 /nfs/dbraw/zinc/56/56/69/1428565669.db2.gz XIKLMBSRYWKOSD-MSOLQXFVSA-N 2 1 343.515 3.026 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CCCCC1 ZINC001732477373 1428603447 /nfs/dbraw/zinc/60/34/47/1428603447.db2.gz MOSVWMFNKTUPAA-WOJBJXKFSA-N 2 1 347.547 3.236 20 0 EGADMP C[C@@H](C[N@@H+](C)CC/C=C/c1ccccc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001699445914 1412779573 /nfs/dbraw/zinc/77/95/73/1412779573.db2.gz JABOZNIMYDRLEE-RORWEDLISA-N 2 1 343.515 3.011 20 0 EGADMP C[C@H](C[N@@H+](C)Cc1ccc2ccccc2c1)NC(=O)CCC[NH+](C)C ZINC001699460851 1412814638 /nfs/dbraw/zinc/81/46/38/1412814638.db2.gz FQBNUCXVDUBAAM-QGZVFWFLSA-N 2 1 341.499 3.118 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001699695315 1413103814 /nfs/dbraw/zinc/10/38/14/1413103814.db2.gz VZNHPFKCHIDLCJ-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@]2(C1)CCC[NH+](CCC1CCCC1)C2 ZINC001699696043 1413105442 /nfs/dbraw/zinc/10/54/42/1413105442.db2.gz YIJJBTAGNMXLIV-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCC1)C2 ZINC001699696043 1413105446 /nfs/dbraw/zinc/10/54/46/1413105446.db2.gz YIJJBTAGNMXLIV-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CCCC1)C2 ZINC001699696043 1413105450 /nfs/dbraw/zinc/10/54/50/1413105450.db2.gz YIJJBTAGNMXLIV-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@]1(C)CCC[NH+](Cc2cccc(C)c2)C1 ZINC001699876302 1413333458 /nfs/dbraw/zinc/33/34/58/1413333458.db2.gz DKQBECCCOHSUAF-NRFANRHFSA-N 2 1 345.531 3.055 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+](Cc2cccc(C)c2)C1 ZINC001699876302 1413333461 /nfs/dbraw/zinc/33/34/61/1413333461.db2.gz DKQBECCCOHSUAF-NRFANRHFSA-N 2 1 345.531 3.055 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC001699876302 1413333466 /nfs/dbraw/zinc/33/34/66/1413333466.db2.gz DKQBECCCOHSUAF-NRFANRHFSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001700196403 1413638230 /nfs/dbraw/zinc/63/82/30/1413638230.db2.gz DZJMTPKVFLCBHQ-UXHICEINSA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2C)CC1)[NH+](C)C ZINC001700200366 1413644125 /nfs/dbraw/zinc/64/41/25/1413644125.db2.gz GSQRVCQARIWTNH-WOJBJXKFSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CCCC(C)(C)C ZINC001700318990 1413782434 /nfs/dbraw/zinc/78/24/34/1413782434.db2.gz XVOBRLBVWNKASL-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+]2CCCC2)c(C)c1 ZINC001700488528 1414139120 /nfs/dbraw/zinc/13/91/20/1414139120.db2.gz ZWDJJILIMIBINR-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CCC2CCCCCC2)CC[N@H+]1C ZINC001732582159 1428789066 /nfs/dbraw/zinc/78/90/66/1428789066.db2.gz VZTTVBHMIFNTDT-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)CCC2CCCCCC2)CC[NH+]1C ZINC001732582159 1428789071 /nfs/dbraw/zinc/78/90/71/1428789071.db2.gz VZTTVBHMIFNTDT-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)CCC2CCCCCC2)CC[NH+]1C ZINC001732582159 1428789073 /nfs/dbraw/zinc/78/90/73/1428789073.db2.gz VZTTVBHMIFNTDT-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@@H](CC)c2ccc(F)cc2)C1 ZINC001700555795 1414225931 /nfs/dbraw/zinc/22/59/31/1414225931.db2.gz UDAYBTIWNRQVJO-BEFAXECRSA-N 2 1 349.494 3.055 20 0 EGADMP CCCC[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001700698468 1414358446 /nfs/dbraw/zinc/35/84/46/1414358446.db2.gz QIYGZLGTUJIAQV-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCCc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C[N@H+](C)CCC)C2)cc1 ZINC001700851676 1414499614 /nfs/dbraw/zinc/49/96/14/1414499614.db2.gz NSVHWWBLJGTOBV-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCC[N@H+]1CCC1CC1 ZINC001700880436 1414536056 /nfs/dbraw/zinc/53/60/56/1414536056.db2.gz MKFVDZPXDCSRKN-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](CC)c1ccc(F)cc1 ZINC001707054542 1417169063 /nfs/dbraw/zinc/16/90/63/1417169063.db2.gz QQHHOZVYRDHSDS-OALUTQOASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](CC)c1ccc(F)cc1 ZINC001707054542 1417169067 /nfs/dbraw/zinc/16/90/67/1417169067.db2.gz QQHHOZVYRDHSDS-OALUTQOASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](CC)c1ccc(F)cc1 ZINC001707054542 1417169074 /nfs/dbraw/zinc/16/90/74/1417169074.db2.gz QQHHOZVYRDHSDS-OALUTQOASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](CC)c1ccc(F)cc1 ZINC001707054542 1417169078 /nfs/dbraw/zinc/16/90/78/1417169078.db2.gz QQHHOZVYRDHSDS-OALUTQOASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(C)c1 ZINC001713257306 1417859786 /nfs/dbraw/zinc/85/97/86/1417859786.db2.gz ZPSHLWYYKAKYAT-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001713257306 1417859789 /nfs/dbraw/zinc/85/97/89/1417859789.db2.gz ZPSHLWYYKAKYAT-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001713257306 1417859791 /nfs/dbraw/zinc/85/97/91/1417859791.db2.gz ZPSHLWYYKAKYAT-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2C[NH2+]CCC2=CCCCC2)C1 ZINC001713267714 1417876896 /nfs/dbraw/zinc/87/68/96/1417876896.db2.gz AQHYLUFCUMSHED-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCC(CC(=O)NCC[C@@H]2CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001713739865 1418539604 /nfs/dbraw/zinc/53/96/04/1418539604.db2.gz YLPOEZHCFJPELB-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001713838361 1418635496 /nfs/dbraw/zinc/63/54/96/1418635496.db2.gz FIILZQKAKHYWMK-OALUTQOASA-N 2 1 343.515 3.123 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](Cc2cc(C)ccc2C)C1 ZINC001714048888 1418846139 /nfs/dbraw/zinc/84/61/39/1418846139.db2.gz DZGJXMGYBJLLTB-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001714048888 1418846140 /nfs/dbraw/zinc/84/61/40/1418846140.db2.gz DZGJXMGYBJLLTB-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001714048888 1418846142 /nfs/dbraw/zinc/84/61/42/1418846142.db2.gz DZGJXMGYBJLLTB-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@H+]2CC2CCCCCC2)CCC1 ZINC001714107292 1418907462 /nfs/dbraw/zinc/90/74/62/1418907462.db2.gz GTYLSHVDOMHLCT-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001714149063 1418955341 /nfs/dbraw/zinc/95/53/41/1418955341.db2.gz CEUKJTOOBAWWKC-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001714152065 1418959278 /nfs/dbraw/zinc/95/92/78/1418959278.db2.gz XHPXFSOZFHCZAF-ZWKOTPCHSA-N 2 1 343.515 3.026 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+](CC2CCCCC2)C2CC2)C1 ZINC001714669125 1419458531 /nfs/dbraw/zinc/45/85/31/1419458531.db2.gz PGRDMSJIRNKBGT-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@H+](CC2CCCCC2)C2CC2)C1 ZINC001714669125 1419458533 /nfs/dbraw/zinc/45/85/33/1419458533.db2.gz PGRDMSJIRNKBGT-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@@H+](CC2CCCCC2)C2CC2)C1 ZINC001714669125 1419458535 /nfs/dbraw/zinc/45/85/35/1419458535.db2.gz PGRDMSJIRNKBGT-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001715034086 1419768399 /nfs/dbraw/zinc/76/83/99/1419768399.db2.gz YMMISCQSAVOTEG-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001715034086 1419768400 /nfs/dbraw/zinc/76/84/00/1419768400.db2.gz YMMISCQSAVOTEG-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001715034086 1419768401 /nfs/dbraw/zinc/76/84/01/1419768401.db2.gz YMMISCQSAVOTEG-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001715034084 1419768440 /nfs/dbraw/zinc/76/84/40/1419768440.db2.gz YMMISCQSAVOTEG-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001715034084 1419768443 /nfs/dbraw/zinc/76/84/43/1419768443.db2.gz YMMISCQSAVOTEG-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001715034084 1419768445 /nfs/dbraw/zinc/76/84/45/1419768445.db2.gz YMMISCQSAVOTEG-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+][C@H](C)c1ccccc1 ZINC001715238544 1419968628 /nfs/dbraw/zinc/96/86/28/1419968628.db2.gz ZQWIFULQNLHWAH-QUCCMNQESA-N 2 1 345.531 3.450 20 0 EGADMP CC(C)[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC1CCCCC1 ZINC001715645486 1420277301 /nfs/dbraw/zinc/27/73/01/1420277301.db2.gz NJFTWFWRNMPRDA-SFHVURJKSA-N 2 1 339.568 3.275 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001715961171 1420428125 /nfs/dbraw/zinc/42/81/25/1420428125.db2.gz ZMODZSJNOUDBPK-QFBILLFUSA-N 2 1 349.494 3.009 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715961171 1420428126 /nfs/dbraw/zinc/42/81/26/1420428126.db2.gz ZMODZSJNOUDBPK-QFBILLFUSA-N 2 1 349.494 3.009 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001715961171 1420428128 /nfs/dbraw/zinc/42/81/28/1420428128.db2.gz ZMODZSJNOUDBPK-QFBILLFUSA-N 2 1 349.494 3.009 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[N@H+](C)CC1CCCCCC1 ZINC001716045686 1420508754 /nfs/dbraw/zinc/50/87/54/1420508754.db2.gz KNEVAVMCIXQJBI-KRWDZBQOSA-N 2 1 348.535 3.379 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[N@@H+](C)CC1CCCCCC1 ZINC001716045686 1420508756 /nfs/dbraw/zinc/50/87/56/1420508756.db2.gz KNEVAVMCIXQJBI-KRWDZBQOSA-N 2 1 348.535 3.379 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CCCC(C)(C)C)C1)C1CCC1 ZINC001716048504 1420512476 /nfs/dbraw/zinc/51/24/76/1420512476.db2.gz AWWLMCUKIIKIEK-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCC(C)(C)C)C1)C1CCC1 ZINC001716048504 1420512479 /nfs/dbraw/zinc/51/24/79/1420512479.db2.gz AWWLMCUKIIKIEK-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCCC(C)(C)C)C1)C1CCC1 ZINC001716048504 1420512481 /nfs/dbraw/zinc/51/24/81/1420512481.db2.gz AWWLMCUKIIKIEK-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001716219942 1420570450 /nfs/dbraw/zinc/57/04/50/1420570450.db2.gz HQZNKLNZXGPVHN-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001716407244 1420639172 /nfs/dbraw/zinc/63/91/72/1420639172.db2.gz DPQRAYDNYUJLSB-GPMSIDNRSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@H](C[N@@H+](C)CCC1CCCC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001716508786 1420740618 /nfs/dbraw/zinc/74/06/18/1420740618.db2.gz PUYPNFDROYLQRC-QGZVFWFLSA-N 2 1 345.531 3.379 20 0 EGADMP CCC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001733268972 1429429770 /nfs/dbraw/zinc/42/97/70/1429429770.db2.gz UQWWQJSGMVZPGT-OUNFKRFRSA-N 2 1 347.547 3.329 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CC2CCC2)C2CCCCCC2)CC[N@H+]1C ZINC001733277521 1429443946 /nfs/dbraw/zinc/44/39/46/1429443946.db2.gz GPARFAUBDNTGKA-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](CC2CCC2)C2CCCCCC2)CC[NH+]1C ZINC001733277521 1429443947 /nfs/dbraw/zinc/44/39/47/1429443947.db2.gz GPARFAUBDNTGKA-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](CC2CCC2)C2CCCCCC2)CC[NH+]1C ZINC001733277521 1429443948 /nfs/dbraw/zinc/44/39/48/1429443948.db2.gz GPARFAUBDNTGKA-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCC2(C)CC[NH+](CCC3CCCC3)CC2)CC[N@H+]1C ZINC001716883850 1421007634 /nfs/dbraw/zinc/00/76/34/1421007634.db2.gz KSGYTDVICAXJMR-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@](C)(CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001716902688 1421035090 /nfs/dbraw/zinc/03/50/90/1421035090.db2.gz LVZXDBKDUFEEMK-FQEVSTJZSA-N 2 1 349.519 3.363 20 0 EGADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)C2 ZINC001716999672 1421069477 /nfs/dbraw/zinc/06/94/77/1421069477.db2.gz NONMEZKDQCFZHI-REPLKXPHSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001717004702 1421073437 /nfs/dbraw/zinc/07/34/37/1421073437.db2.gz XIELBAJIQYJPPY-BJLQDIEVSA-N 2 1 345.531 3.210 20 0 EGADMP CC[C@H](C(=O)N(C)CCC[N@@H+](C)[C@H](C)c1ccccc1C)[NH+](C)C ZINC001717214322 1421190851 /nfs/dbraw/zinc/19/08/51/1421190851.db2.gz QZIIMZWARGCAFY-IEBWSBKVSA-N 2 1 333.520 3.177 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](CC)CC)cc2C1 ZINC001717271161 1421228715 /nfs/dbraw/zinc/22/87/15/1421228715.db2.gz ZLSPTFWVVZNIKN-IBGZPJMESA-N 2 1 331.504 3.149 20 0 EGADMP CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001717541459 1421482436 /nfs/dbraw/zinc/48/24/36/1421482436.db2.gz ZIVKJVYMHUFNIB-GOSISDBHSA-N 2 1 334.508 3.133 20 0 EGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001717541459 1421482437 /nfs/dbraw/zinc/48/24/37/1421482437.db2.gz ZIVKJVYMHUFNIB-GOSISDBHSA-N 2 1 334.508 3.133 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001717882743 1421686349 /nfs/dbraw/zinc/68/63/49/1421686349.db2.gz HLGZLRBHRXFZFS-AZUAARDMSA-N 2 1 345.531 3.020 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001717882744 1421686526 /nfs/dbraw/zinc/68/65/26/1421686526.db2.gz HLGZLRBHRXFZFS-ICSRJNTNSA-N 2 1 345.531 3.020 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C[C@H]1C ZINC001733336375 1429521632 /nfs/dbraw/zinc/52/16/32/1429521632.db2.gz TYCFQPBWXJSEEO-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001723649558 1424514411 /nfs/dbraw/zinc/51/44/11/1424514411.db2.gz QTSUOXYGRWDIEZ-GOSISDBHSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@]1(C)CCC[NH+](CC2CCCCC2)C1 ZINC001724340537 1424832918 /nfs/dbraw/zinc/83/29/18/1424832918.db2.gz LTUIPFOZTBNFPC-HXUWFJFHSA-N 2 1 337.552 3.127 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@H+](CC2CCCCC2)C1 ZINC001724340537 1424832921 /nfs/dbraw/zinc/83/29/21/1424832921.db2.gz LTUIPFOZTBNFPC-HXUWFJFHSA-N 2 1 337.552 3.127 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@@H+](CC2CCCCC2)C1 ZINC001724340537 1424832928 /nfs/dbraw/zinc/83/29/28/1424832928.db2.gz LTUIPFOZTBNFPC-HXUWFJFHSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2([NH2+]CC3CCCCC3)CCC2)C1 ZINC001724794998 1425162128 /nfs/dbraw/zinc/16/21/28/1425162128.db2.gz GJPOMQPEFZBUNL-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CCCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001725028384 1425449108 /nfs/dbraw/zinc/44/91/08/1425449108.db2.gz ZHRXGGNYOBUNOS-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001725028384 1425449110 /nfs/dbraw/zinc/44/91/10/1425449110.db2.gz ZHRXGGNYOBUNOS-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001725028384 1425449112 /nfs/dbraw/zinc/44/91/12/1425449112.db2.gz ZHRXGGNYOBUNOS-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[N@@H+](C)Cc1ccc(F)cc1 ZINC001725193206 1425742116 /nfs/dbraw/zinc/74/21/16/1425742116.db2.gz FDZIAXHKKZPHBV-KRWDZBQOSA-N 2 1 349.494 3.028 20 0 EGADMP C[C@@H]1[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001725561235 1426224710 /nfs/dbraw/zinc/22/47/10/1426224710.db2.gz AJZPUBCBNNKRAH-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1CCCC1CCCC1 ZINC001725634114 1426304775 /nfs/dbraw/zinc/30/47/75/1426304775.db2.gz RMARKWKYHURNSH-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@H](C)c1cccc(F)c1 ZINC001731812534 1427997129 /nfs/dbraw/zinc/99/71/29/1427997129.db2.gz ACQJJCFJFWASJA-MRXNPFEDSA-N 2 1 349.494 3.057 20 0 EGADMP CCC(CC)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C ZINC001733679673 1429881863 /nfs/dbraw/zinc/88/18/63/1429881863.db2.gz CDYCVTZNGJYXFO-HXUWFJFHSA-N 2 1 345.531 3.265 20 0 EGADMP CCC(CC)C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001733679673 1429881868 /nfs/dbraw/zinc/88/18/68/1429881868.db2.gz CDYCVTZNGJYXFO-HXUWFJFHSA-N 2 1 345.531 3.265 20 0 EGADMP CCC(CC)C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001733679673 1429881880 /nfs/dbraw/zinc/88/18/80/1429881880.db2.gz CDYCVTZNGJYXFO-HXUWFJFHSA-N 2 1 345.531 3.265 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001733773350 1430009957 /nfs/dbraw/zinc/00/99/57/1430009957.db2.gz DDBMUENRPDDVPM-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001733773350 1430009965 /nfs/dbraw/zinc/00/99/65/1430009965.db2.gz DDBMUENRPDDVPM-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001733773350 1430009968 /nfs/dbraw/zinc/00/99/68/1430009968.db2.gz DDBMUENRPDDVPM-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@H]1CCC[C@@H](CC[N@@H+](C)CCCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001752008419 1440132425 /nfs/dbraw/zinc/13/24/25/1440132425.db2.gz GJVXZHQWYJOKOK-OALUTQOASA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001752426236 1440176982 /nfs/dbraw/zinc/17/69/82/1440176982.db2.gz ICGMTJSHQBGGQN-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001752427001 1440177484 /nfs/dbraw/zinc/17/74/84/1440177484.db2.gz MPXSXECMUMNLAS-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]([NH2+]CC2CCCCCC2)C2CC2)CC[N@H+]1C ZINC001752479289 1440185122 /nfs/dbraw/zinc/18/51/22/1440185122.db2.gz DNWDRGPNGHQLAY-VDGAXYAQSA-N 2 1 349.563 3.172 20 0 EGADMP CC/C=C\CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001752516283 1440191186 /nfs/dbraw/zinc/19/11/86/1440191186.db2.gz CMSZJCABLRUVCH-FAPWYTRCSA-N 2 1 337.552 3.099 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H](C[N@H+](C)[C@H](C)c2ccccc2)C1 ZINC001752525760 1440192850 /nfs/dbraw/zinc/19/28/50/1440192850.db2.gz ODAOPTXKHVEOIW-MOPGFXCFSA-N 2 1 345.531 3.258 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H](C[N@@H+](C)[C@H](C)c2ccccc2)C1 ZINC001752525760 1440192851 /nfs/dbraw/zinc/19/28/51/1440192851.db2.gz ODAOPTXKHVEOIW-MOPGFXCFSA-N 2 1 345.531 3.258 20 0 EGADMP CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001752790358 1440213733 /nfs/dbraw/zinc/21/37/33/1440213733.db2.gz XMQJTOHINKGFOE-QUCCMNQESA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001752790358 1440213734 /nfs/dbraw/zinc/21/37/34/1440213734.db2.gz XMQJTOHINKGFOE-QUCCMNQESA-N 2 1 345.531 3.164 20 0 EGADMP C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001752841712 1440230991 /nfs/dbraw/zinc/23/09/91/1440230991.db2.gz SINIVFQZJYMTQC-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001752995232 1440261478 /nfs/dbraw/zinc/26/14/78/1440261478.db2.gz QRBAQZUIMQGORI-KDHUBKHVSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001752995232 1440261479 /nfs/dbraw/zinc/26/14/79/1440261479.db2.gz QRBAQZUIMQGORI-KDHUBKHVSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001752995232 1440261480 /nfs/dbraw/zinc/26/14/80/1440261480.db2.gz QRBAQZUIMQGORI-KDHUBKHVSA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001752999842 1440263893 /nfs/dbraw/zinc/26/38/93/1440263893.db2.gz ISGVQFCOLBHADV-VQTJNVASSA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CCC(C)(C)C ZINC001753008618 1440266357 /nfs/dbraw/zinc/26/63/57/1440266357.db2.gz IHGVPVJGJVAUEG-IAGOWNOFSA-N 2 1 325.541 3.027 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001753014550 1440268067 /nfs/dbraw/zinc/26/80/67/1440268067.db2.gz OVYYXNISUAFSOZ-VQIMIIECSA-N 2 1 349.494 3.073 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001753029896 1440272433 /nfs/dbraw/zinc/27/24/33/1440272433.db2.gz LRQZKPHTHHKYKM-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001753029896 1440272434 /nfs/dbraw/zinc/27/24/34/1440272434.db2.gz LRQZKPHTHHKYKM-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC001753029896 1440272435 /nfs/dbraw/zinc/27/24/35/1440272435.db2.gz LRQZKPHTHHKYKM-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H](c1ccc2ccccc2c1)[N@@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001753061840 1440283759 /nfs/dbraw/zinc/28/37/59/1440283759.db2.gz YJLARTBOUQRVRQ-KRWDZBQOSA-N 2 1 341.499 3.291 20 0 EGADMP CC(C)[C@H](C(=O)NCC[N@@H+](C)CC1CC2(CCC2)C1)[NH+]1CCCCC1 ZINC001753074361 1440290324 /nfs/dbraw/zinc/29/03/24/1440290324.db2.gz ITMCSAVBYQCOKG-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001753105898 1440306234 /nfs/dbraw/zinc/30/62/34/1440306234.db2.gz JUDGSKNDFJXVPH-RBUKOAKNSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H](C)c1cccc(F)c1 ZINC001753147568 1440325445 /nfs/dbraw/zinc/32/54/45/1440325445.db2.gz JAIZLBDGRVNXTD-INIZCTEOSA-N 2 1 349.494 3.057 20 0 EGADMP CC1CCC(C[N@@H+](CCNC(=O)CC[C@H]2CCC[NH+]2C)C2CC2)CC1 ZINC001753155950 1440330785 /nfs/dbraw/zinc/33/07/85/1440330785.db2.gz LRIINNIQDMCFCA-CTWPCTMYSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CCC(C[NH+](CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C2CC2)CC1 ZINC001753155950 1440330786 /nfs/dbraw/zinc/33/07/86/1440330786.db2.gz LRIINNIQDMCFCA-CTWPCTMYSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CCC(C[NH+](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C2CC2)CC1 ZINC001753155950 1440330787 /nfs/dbraw/zinc/33/07/87/1440330787.db2.gz LRIINNIQDMCFCA-CTWPCTMYSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C1CC1 ZINC001753156186 1440331055 /nfs/dbraw/zinc/33/10/55/1440331055.db2.gz NZDYGPPTRVIUMH-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001753156186 1440331056 /nfs/dbraw/zinc/33/10/56/1440331056.db2.gz NZDYGPPTRVIUMH-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001753156186 1440331057 /nfs/dbraw/zinc/33/10/57/1440331057.db2.gz NZDYGPPTRVIUMH-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cc(C[N@H+](CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C2CC2)cs1 ZINC001753165168 1440335584 /nfs/dbraw/zinc/33/55/84/1440335584.db2.gz PJPPNEPURQHRNR-HUUCEWRRSA-N 2 1 349.544 3.010 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001753209106 1440339097 /nfs/dbraw/zinc/33/90/97/1440339097.db2.gz ZTSPAHMONSCRPB-LPHOPBHVSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001753360020 1440382386 /nfs/dbraw/zinc/38/23/86/1440382386.db2.gz OGYMLLAAOQJCDE-IRXDYDNUSA-N 2 1 349.494 3.007 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001753360020 1440382387 /nfs/dbraw/zinc/38/23/87/1440382387.db2.gz OGYMLLAAOQJCDE-IRXDYDNUSA-N 2 1 349.494 3.007 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001753360020 1440382388 /nfs/dbraw/zinc/38/23/88/1440382388.db2.gz OGYMLLAAOQJCDE-IRXDYDNUSA-N 2 1 349.494 3.007 20 0 EGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001753385977 1440388355 /nfs/dbraw/zinc/38/83/55/1440388355.db2.gz OQSWJXOQXBDATR-INIZCTEOSA-N 2 1 345.531 3.187 20 0 EGADMP CC(C)[C@H](C(=O)NC1C[NH+](CC2CCC(C)(C)CC2)C1)[NH+]1CCCC1 ZINC001753395830 1440390154 /nfs/dbraw/zinc/39/01/54/1440390154.db2.gz VSBGGBGAXWIMQM-LJQANCHMSA-N 2 1 349.563 3.124 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001753428816 1440397638 /nfs/dbraw/zinc/39/76/38/1440397638.db2.gz WITIEIXXGAQVFC-RAEMOODJSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001753428816 1440397639 /nfs/dbraw/zinc/39/76/39/1440397639.db2.gz WITIEIXXGAQVFC-RAEMOODJSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001753428816 1440397640 /nfs/dbraw/zinc/39/76/40/1440397640.db2.gz WITIEIXXGAQVFC-RAEMOODJSA-N 2 1 347.547 3.188 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001753427989 1440397734 /nfs/dbraw/zinc/39/77/34/1440397734.db2.gz RZNFCEWARLOUMM-UFYCRDLUSA-N 2 1 343.515 3.155 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001753427989 1440397735 /nfs/dbraw/zinc/39/77/35/1440397735.db2.gz RZNFCEWARLOUMM-UFYCRDLUSA-N 2 1 343.515 3.155 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC001753514152 1440426920 /nfs/dbraw/zinc/42/69/20/1440426920.db2.gz CLWZJJSZABJQNU-GHTZIAJQSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@](C)(C[NH2+]CC2=CCCCC2)C2CC2)CC[N@H+]1C ZINC001753523836 1440429095 /nfs/dbraw/zinc/42/90/95/1440429095.db2.gz RFQDFQABWHJHLR-DJPFJPOOSA-N 2 1 347.547 3.092 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@](C)(C[NH2+]CCC2CCCCC2)C2CC2)C1 ZINC001753527994 1440430091 /nfs/dbraw/zinc/43/00/91/1440430091.db2.gz KKXYYWWSFFLOJO-GHTZIAJQSA-N 2 1 349.563 3.173 20 0 EGADMP CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001753557143 1440436280 /nfs/dbraw/zinc/43/62/80/1440436280.db2.gz GQQVUTBANHOBNA-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001753587382 1440441813 /nfs/dbraw/zinc/44/18/13/1440441813.db2.gz UIOMXSCXWZURDV-UFYCRDLUSA-N 2 1 345.531 3.497 20 0 EGADMP CC(C)=CC[NH+]1CCC(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001753598959 1440445691 /nfs/dbraw/zinc/44/56/91/1440445691.db2.gz XNVQASQYVFGZEY-UHFFFAOYSA-N 2 1 337.552 3.149 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C[NH2+]CC1CCCC1 ZINC001753641541 1440454599 /nfs/dbraw/zinc/45/45/99/1440454599.db2.gz XJNZTGYZKIUKTK-YLJYHZDGSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001753645213 1440455684 /nfs/dbraw/zinc/45/56/84/1440455684.db2.gz UTRDIQWMWWFCAO-QGZVFWFLSA-N 2 1 347.547 3.166 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001753664235 1440459783 /nfs/dbraw/zinc/45/97/83/1440459783.db2.gz REPJRMUYYCEESI-IBGZPJMESA-N 2 1 349.563 3.460 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCCC1 ZINC001753665833 1440460147 /nfs/dbraw/zinc/46/01/47/1440460147.db2.gz PDXFLZXMLGSFDZ-SFHVURJKSA-N 2 1 337.552 3.172 20 0 EGADMP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001753669952 1440461627 /nfs/dbraw/zinc/46/16/27/1440461627.db2.gz MFHXLWGYZPNXER-YQHFQFMOSA-N 2 1 347.547 3.378 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccc1)C1CCC1 ZINC001753779672 1440487087 /nfs/dbraw/zinc/48/70/87/1440487087.db2.gz MUTMAGTWNRDZMU-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCCC1CCC1 ZINC001753811949 1440493040 /nfs/dbraw/zinc/49/30/40/1440493040.db2.gz BWHPMBRRIKSENG-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@@H+](CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1)CC1CCC1 ZINC001753820737 1440495893 /nfs/dbraw/zinc/49/58/93/1440495893.db2.gz BYCMSBNXWHSTHH-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CCCC1CCC1)CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001753824059 1440497570 /nfs/dbraw/zinc/49/75/70/1440497570.db2.gz UAAWSVQQVWVLGC-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001753864623 1440513602 /nfs/dbraw/zinc/51/36/02/1440513602.db2.gz QZKMBPWFUMMXQQ-MOPGFXCFSA-N 2 1 345.531 3.402 20 0 EGADMP CN(CC[N@@H+](C)CC1CCC(C)(C)CC1)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001753868101 1440515901 /nfs/dbraw/zinc/51/59/01/1440515901.db2.gz SEABJCZNLMQQFB-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CN(CC[NH+](C)CC1CCC(C)(C)CC1)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001753868101 1440515902 /nfs/dbraw/zinc/51/59/02/1440515902.db2.gz SEABJCZNLMQQFB-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CN(CC[NH+](C)CC1CCC(C)(C)CC1)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001753868101 1440515903 /nfs/dbraw/zinc/51/59/03/1440515903.db2.gz SEABJCZNLMQQFB-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001753869313 1440516771 /nfs/dbraw/zinc/51/67/71/1440516771.db2.gz OLCULZYYJPCTGX-GOSISDBHSA-N 2 1 331.504 3.014 20 0 EGADMP CCN(CC[NH2+]CCC1CC1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001754063725 1440537114 /nfs/dbraw/zinc/53/71/14/1440537114.db2.gz RHNFEBBYYGSPQQ-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001754070811 1440538217 /nfs/dbraw/zinc/53/82/17/1440538217.db2.gz QEHWYCKGOUXOEW-FQEVSTJZSA-N 2 1 345.531 3.196 20 0 EGADMP C[C@@H](C[N@@H+](C)Cc1ccsc1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001754335414 1440586299 /nfs/dbraw/zinc/58/62/99/1440586299.db2.gz CHKDRRUVSNBEGF-HNNXBMFYSA-N 2 1 345.512 3.060 20 0 EGADMP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001754371103 1440592652 /nfs/dbraw/zinc/59/26/52/1440592652.db2.gz XXQROLBRAMIALT-FQEVSTJZSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001754493308 1440611125 /nfs/dbraw/zinc/61/11/25/1440611125.db2.gz UTILPSCVYVPJCG-LPHOPBHVSA-N 2 1 331.504 3.013 20 0 EGADMP CCCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CCCCCC1 ZINC001754545873 1440627687 /nfs/dbraw/zinc/62/76/87/1440627687.db2.gz XIOLMUTYRGLQOI-LJQANCHMSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCCCC1 ZINC001754545873 1440627688 /nfs/dbraw/zinc/62/76/88/1440627688.db2.gz XIOLMUTYRGLQOI-LJQANCHMSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CCCCCC1 ZINC001754545873 1440627689 /nfs/dbraw/zinc/62/76/89/1440627689.db2.gz XIOLMUTYRGLQOI-LJQANCHMSA-N 2 1 337.552 3.412 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001754566158 1440635653 /nfs/dbraw/zinc/63/56/53/1440635653.db2.gz WUPLVRORUCUYDL-UYAOXDASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1)[NH+](CC)CC ZINC001754567982 1440636283 /nfs/dbraw/zinc/63/62/83/1440636283.db2.gz YBRPYSXMZGUXDM-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001754659039 1440654280 /nfs/dbraw/zinc/65/42/80/1440654280.db2.gz ALADKXXUJOVACZ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)C ZINC001754661078 1440654889 /nfs/dbraw/zinc/65/48/89/1440654889.db2.gz WAHSDYBZLVUHCZ-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)C ZINC001754661078 1440654890 /nfs/dbraw/zinc/65/48/90/1440654890.db2.gz WAHSDYBZLVUHCZ-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)C ZINC001754661078 1440654891 /nfs/dbraw/zinc/65/48/91/1440654891.db2.gz WAHSDYBZLVUHCZ-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001754674740 1440659486 /nfs/dbraw/zinc/65/94/86/1440659486.db2.gz BFBQVMXFWRXJHA-GGVAOPBYSA-N 2 1 335.536 3.188 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001754674740 1440659487 /nfs/dbraw/zinc/65/94/87/1440659487.db2.gz BFBQVMXFWRXJHA-GGVAOPBYSA-N 2 1 335.536 3.188 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001754674740 1440659488 /nfs/dbraw/zinc/65/94/88/1440659488.db2.gz BFBQVMXFWRXJHA-GGVAOPBYSA-N 2 1 335.536 3.188 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(C[NH2+]CCCC3CCCC3)C2)CC[N@H+]1C ZINC001754696508 1440667179 /nfs/dbraw/zinc/66/71/79/1440667179.db2.gz YCQWFNQLEYOOKD-YFVAEKQCSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001754703173 1440668375 /nfs/dbraw/zinc/66/83/75/1440668375.db2.gz JVNGRAIKPGUBPC-CTNGQTDRSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001754866974 1440703263 /nfs/dbraw/zinc/70/32/63/1440703263.db2.gz GEHMCILZXIJKJK-RTBURBONSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](CC[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001754940343 1440711640 /nfs/dbraw/zinc/71/16/40/1440711640.db2.gz NKGOYTZLWCZBFV-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001755026684 1440729239 /nfs/dbraw/zinc/72/92/39/1440729239.db2.gz UZIQUMUOZHCPBX-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001755026684 1440729240 /nfs/dbraw/zinc/72/92/40/1440729240.db2.gz UZIQUMUOZHCPBX-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001755026684 1440729241 /nfs/dbraw/zinc/72/92/41/1440729241.db2.gz UZIQUMUOZHCPBX-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001755031304 1440731707 /nfs/dbraw/zinc/73/17/07/1440731707.db2.gz OOACDUVOPXBSJL-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)CC1 ZINC001755031304 1440731708 /nfs/dbraw/zinc/73/17/08/1440731708.db2.gz OOACDUVOPXBSJL-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2)CC1 ZINC001755031304 1440731709 /nfs/dbraw/zinc/73/17/09/1440731709.db2.gz OOACDUVOPXBSJL-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP CN(CCC[N@@H+](C)CCC1=CCCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001755040329 1440736920 /nfs/dbraw/zinc/73/69/20/1440736920.db2.gz QTBNMXUKWJPWBH-UHFFFAOYSA-N 2 1 347.547 3.286 20 0 EGADMP CC(C)CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001755114186 1440754645 /nfs/dbraw/zinc/75/46/45/1440754645.db2.gz MATIFXKEAHBTJX-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1CC1CC(C)(C)C1 ZINC001755165640 1440767185 /nfs/dbraw/zinc/76/71/85/1440767185.db2.gz PEYZLAQLCACXDN-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@H]2CCC[NH+](CC=C(C)C)C2)CC1 ZINC001755205035 1440781978 /nfs/dbraw/zinc/78/19/78/1440781978.db2.gz PFDXDGPCEHZSIR-FQEVSTJZSA-N 2 1 349.563 3.245 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@H+](CC=C(C)C)C2)CC1 ZINC001755205035 1440781979 /nfs/dbraw/zinc/78/19/79/1440781979.db2.gz PFDXDGPCEHZSIR-FQEVSTJZSA-N 2 1 349.563 3.245 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@@H+](CC=C(C)C)C2)CC1 ZINC001755205035 1440781980 /nfs/dbraw/zinc/78/19/80/1440781980.db2.gz PFDXDGPCEHZSIR-FQEVSTJZSA-N 2 1 349.563 3.245 20 0 EGADMP CN(CC(C)(C)C[NH2+]CC1CCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001755286399 1440802198 /nfs/dbraw/zinc/80/21/98/1440802198.db2.gz UNWMNZWUEALSLO-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)[C@H](C)c1cccc(F)c1 ZINC001755327074 1440822365 /nfs/dbraw/zinc/82/23/65/1440822365.db2.gz DQUORGYYOKPHNW-IAGOWNOFSA-N 2 1 349.494 3.199 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]CCC(C)(C)C)CCCCC2)C1 ZINC001755355895 1440829384 /nfs/dbraw/zinc/82/93/84/1440829384.db2.gz ZLLVIRSBKLBTNO-KRWDZBQOSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCC1 ZINC001755367994 1440836023 /nfs/dbraw/zinc/83/60/23/1440836023.db2.gz KGWBYJIPTCUQPD-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CCCCC[N@H+]1CC1CCC1 ZINC001755367994 1440836024 /nfs/dbraw/zinc/83/60/24/1440836024.db2.gz KGWBYJIPTCUQPD-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755414898 1440847992 /nfs/dbraw/zinc/84/79/92/1440847992.db2.gz CKYKVPGWSZIMGQ-CRAIPNDOSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755414898 1440847993 /nfs/dbraw/zinc/84/79/93/1440847993.db2.gz CKYKVPGWSZIMGQ-CRAIPNDOSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755414898 1440847994 /nfs/dbraw/zinc/84/79/94/1440847994.db2.gz CKYKVPGWSZIMGQ-CRAIPNDOSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1)c1ccccc1 ZINC001755473807 1440859199 /nfs/dbraw/zinc/85/91/99/1440859199.db2.gz XSBKHLADELLBOL-LFGUQSLTSA-N 2 1 343.515 3.106 20 0 EGADMP CCC(CC)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001755479742 1440859830 /nfs/dbraw/zinc/85/98/30/1440859830.db2.gz YXILFKPLJMBKFJ-FHWLQOOXSA-N 2 1 337.552 3.170 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CCC([N@@H+](C)C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001755535372 1440869021 /nfs/dbraw/zinc/86/90/21/1440869021.db2.gz HIMJOBWRAVPQJE-CEXWTWQISA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)[NH2+]CC1=CCCCC1 ZINC001755549068 1440871541 /nfs/dbraw/zinc/87/15/41/1440871541.db2.gz DSIARPMWACXYQT-WOJBJXKFSA-N 2 1 349.563 3.480 20 0 EGADMP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001755552909 1440872648 /nfs/dbraw/zinc/87/26/48/1440872648.db2.gz GNKCHJZEVKLTBM-RTBURBONSA-N 2 1 349.563 3.029 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001755573481 1440877496 /nfs/dbraw/zinc/87/74/96/1440877496.db2.gz RVTLASIOESKFJQ-MOPGFXCFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)c1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001755603802 1440884859 /nfs/dbraw/zinc/88/48/59/1440884859.db2.gz ISGNWKJGZTYNME-QZTJIDSGSA-N 2 1 345.531 3.088 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC001755618163 1440889714 /nfs/dbraw/zinc/88/97/14/1440889714.db2.gz IEPQQAOSOVHIQI-HNNXBMFYSA-N 2 1 347.528 3.178 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)[C@H]1C ZINC001755666612 1440893479 /nfs/dbraw/zinc/89/34/79/1440893479.db2.gz GOUORMJOJMVQOO-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)N(CC[N@@H+](C)[C@@H]1CCc2ccccc21)C(=O)CCC[NH+](C)C ZINC001755811845 1440920813 /nfs/dbraw/zinc/92/08/13/1440920813.db2.gz CJOLAHYLDHRRAV-HXUWFJFHSA-N 2 1 345.531 3.185 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)C1CC[NH+](CC(C)C)CC1 ZINC001755843659 1440932349 /nfs/dbraw/zinc/93/23/49/1440932349.db2.gz QROBNNCQNYYXHH-DLBZAZTESA-N 2 1 348.535 3.269 20 0 EGADMP C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001755845965 1440933388 /nfs/dbraw/zinc/93/33/88/1440933388.db2.gz GPUIKHNYTISFQP-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001755846102 1440933437 /nfs/dbraw/zinc/93/34/37/1440933437.db2.gz MGVSQNGMQRIGCT-GOSISDBHSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)C[NH2+]Cc1ccc(CNC(=O)CC[C@H]2CCC[N@H+]2C)c(F)c1 ZINC001755901577 1440944083 /nfs/dbraw/zinc/94/40/83/1440944083.db2.gz WTJPVCIMSRSYBK-GOSISDBHSA-N 2 1 349.494 3.062 20 0 EGADMP CC(C)C[NH+]1CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC1 ZINC001164654464 719334259 /nfs/dbraw/zinc/33/42/59/719334259.db2.gz QKVLEUPSEKDFSK-UHFFFAOYSA-N 2 1 336.911 3.109 20 0 EGADMP Cc1cc2ccccc2c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164681580 719631405 /nfs/dbraw/zinc/63/14/05/719631405.db2.gz IJXPOZOBMCRRHO-UHFFFAOYSA-N 2 1 349.482 3.215 20 0 EGADMP Cc1cc2ccccc2c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164681580 719631411 /nfs/dbraw/zinc/63/14/11/719631411.db2.gz IJXPOZOBMCRRHO-UHFFFAOYSA-N 2 1 349.482 3.215 20 0 EGADMP Cc1cc2[nH]ccc2c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)[nH+]1 ZINC001164725883 720393830 /nfs/dbraw/zinc/39/38/30/720393830.db2.gz OBJSNXUNYOXVRL-OALUTQOASA-N 2 1 333.439 3.120 20 0 EGADMP Cc1nc(N2CCCC2)cc(N2CCCC[C@@H]2CC[NH+]2CCCC2)[nH+]1 ZINC001165046813 721966035 /nfs/dbraw/zinc/96/60/35/721966035.db2.gz PCTQBVTWDRGNIZ-GOSISDBHSA-N 2 1 343.519 3.230 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000177969170 232044974 /nfs/dbraw/zinc/04/49/74/232044974.db2.gz OCIXGJFOVCRRSQ-DBXWQHBBSA-N 2 1 329.532 3.012 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2CNc2cc[nH+]c3ccccc23)C1 ZINC000181142271 234095901 /nfs/dbraw/zinc/09/59/01/234095901.db2.gz YGOPYHMXZNPWDI-GOSISDBHSA-N 2 1 333.435 3.414 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354421485 283208112 /nfs/dbraw/zinc/20/81/12/283208112.db2.gz FZKPVUUZAQOXBQ-QZTJIDSGSA-N 2 1 325.541 3.220 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000344694735 283208992 /nfs/dbraw/zinc/20/89/92/283208992.db2.gz DMUAECODEDEIIH-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCCCS(C)(=O)=O)cc1 ZINC000186866419 236048342 /nfs/dbraw/zinc/04/83/42/236048342.db2.gz NTRQFWHXTLZZQA-OAHLLOKOSA-N 2 1 349.500 3.046 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000037256077 213137403 /nfs/dbraw/zinc/13/74/03/213137403.db2.gz MELZMAKJAOZDLV-NSHDSACASA-N 2 1 344.240 3.036 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(Br)cs1 ZINC000193990804 240391386 /nfs/dbraw/zinc/39/13/86/240391386.db2.gz JKYVSHGPXFDCAU-LLVKDONJSA-N 2 1 347.322 3.008 20 0 EGADMP Cc1nc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)oc1C ZINC000177490899 241554918 /nfs/dbraw/zinc/55/49/18/241554918.db2.gz BPFKGPFNZBIOJK-GJZGRUSLSA-N 2 1 335.492 3.003 20 0 EGADMP COc1ccc(Br)cc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231460945 242268066 /nfs/dbraw/zinc/26/80/66/242268066.db2.gz VTLIDBOVWJICFR-AWEZNQCLSA-N 2 1 327.266 3.032 20 0 EGADMP COc1ccc(Br)cc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231460945 242268069 /nfs/dbraw/zinc/26/80/69/242268069.db2.gz VTLIDBOVWJICFR-AWEZNQCLSA-N 2 1 327.266 3.032 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)NC(C)(C)C ZINC000249774528 296135654 /nfs/dbraw/zinc/13/56/54/296135654.db2.gz VKLOGYLSFVAINL-DLBZAZTESA-N 2 1 345.531 3.454 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)COc2ccccc2)C1 ZINC000265085409 247187865 /nfs/dbraw/zinc/18/78/65/247187865.db2.gz SMHGVROTHWUYKZ-AABGKKOBSA-N 2 1 346.515 3.013 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)COc2ccccc2)C1 ZINC000265085409 247187869 /nfs/dbraw/zinc/18/78/69/247187869.db2.gz SMHGVROTHWUYKZ-AABGKKOBSA-N 2 1 346.515 3.013 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2)C1 ZINC000265085409 247187872 /nfs/dbraw/zinc/18/78/72/247187872.db2.gz SMHGVROTHWUYKZ-AABGKKOBSA-N 2 1 346.515 3.013 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2)C1 ZINC000265085409 247187874 /nfs/dbraw/zinc/18/78/74/247187874.db2.gz SMHGVROTHWUYKZ-AABGKKOBSA-N 2 1 346.515 3.013 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000266131140 248118883 /nfs/dbraw/zinc/11/88/83/248118883.db2.gz RGMPIQOJNGKLBT-CYBMUJFWSA-N 2 1 341.293 3.211 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccnc1 ZINC000092740883 218163599 /nfs/dbraw/zinc/16/35/99/218163599.db2.gz YOASOBXSZLEITG-IRXDYDNUSA-N 2 1 325.456 3.153 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccnc1 ZINC000092740883 218163600 /nfs/dbraw/zinc/16/36/00/218163600.db2.gz YOASOBXSZLEITG-IRXDYDNUSA-N 2 1 325.456 3.153 20 0 EGADMP C[N@H+](Cc1ccccc1OCc1cccnc1)CC1CC[NH+](C)CC1 ZINC000093089152 218192752 /nfs/dbraw/zinc/19/27/52/218192752.db2.gz GGWVRESLPCKGRE-UHFFFAOYSA-N 2 1 339.483 3.434 20 0 EGADMP CCc1oc2ccccc2c1C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000093132949 218195415 /nfs/dbraw/zinc/19/54/15/218195415.db2.gz XZCKZNXKKBOLPS-QGZVFWFLSA-N 2 1 341.499 3.207 20 0 EGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000093133113 218195838 /nfs/dbraw/zinc/19/58/38/218195838.db2.gz RIMSHAJZYXUXBS-HXUWFJFHSA-N 2 1 345.531 3.077 20 0 EGADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267418010 251040128 /nfs/dbraw/zinc/04/01/28/251040128.db2.gz TVOCSAAFYMYWRD-AWEZNQCLSA-N 2 1 331.847 3.047 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000268775750 252226255 /nfs/dbraw/zinc/22/62/55/252226255.db2.gz AJCZWVRMGZLTAT-CYBMUJFWSA-N 2 1 327.407 3.176 20 0 EGADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000268804809 252257636 /nfs/dbraw/zinc/25/76/36/252257636.db2.gz KJPGWNUJJMEBBB-LBPRGKRZSA-N 2 1 327.457 3.369 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000268797665 252250222 /nfs/dbraw/zinc/25/02/22/252250222.db2.gz GRZYNSDSIDQRKY-HZPDHXFCSA-N 2 1 344.503 3.351 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268835236 252285127 /nfs/dbraw/zinc/28/51/27/252285127.db2.gz DDGHEJMEPYSMGJ-GQIGUUNPSA-N 2 1 326.488 3.290 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268835236 252285131 /nfs/dbraw/zinc/28/51/31/252285131.db2.gz DDGHEJMEPYSMGJ-GQIGUUNPSA-N 2 1 326.488 3.290 20 0 EGADMP CC[N@@H+](Cc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000345210171 285095085 /nfs/dbraw/zinc/09/50/85/285095085.db2.gz QOWWKWAURKVVOM-OAHLLOKOSA-N 2 1 338.879 3.465 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000246334633 285313275 /nfs/dbraw/zinc/31/32/75/285313275.db2.gz GJWDZCWGXNQEIW-VAMGGRTRSA-N 2 1 344.499 3.258 20 0 EGADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000155112769 224360453 /nfs/dbraw/zinc/36/04/53/224360453.db2.gz ZEFLPZLZJCJWSA-SJORKVTESA-N 2 1 327.472 3.233 20 0 EGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132936198 533415441 /nfs/dbraw/zinc/41/54/41/533415441.db2.gz AYGXLKNPFINGJO-DLBZAZTESA-N 2 1 332.488 3.155 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)CCSc3ccccc3)C2)CC1 ZINC000246760719 141033240 /nfs/dbraw/zinc/03/32/40/141033240.db2.gz YCPWHHAPVYXAEE-MOPGFXCFSA-N 2 1 347.572 3.269 20 0 EGADMP C[C@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[N@H+]1C1CC1 ZINC000269083890 141059923 /nfs/dbraw/zinc/05/99/23/141059923.db2.gz PDFWAEPOSAEXBH-BWPNAZKDSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[NH+]1C1CC1 ZINC000269083890 141059924 /nfs/dbraw/zinc/05/99/24/141059924.db2.gz PDFWAEPOSAEXBH-BWPNAZKDSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[NH+]1C1CC1 ZINC000269083890 141059925 /nfs/dbraw/zinc/05/99/25/141059925.db2.gz PDFWAEPOSAEXBH-BWPNAZKDSA-N 2 1 327.516 3.254 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(C)c3ncccc3c2)C1 ZINC000346219546 141183510 /nfs/dbraw/zinc/18/35/10/141183510.db2.gz MYSOBYPUGNCLIP-FQEVSTJZSA-N 2 1 341.499 3.476 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)c1OC ZINC000347904539 141212987 /nfs/dbraw/zinc/21/29/87/141212987.db2.gz BNBWTNWIEYMQCD-MJGOQNOKSA-N 2 1 344.499 3.461 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)C[NH+](C)C(C)C)cc1)C(C)C ZINC000356816894 141347938 /nfs/dbraw/zinc/34/79/38/141347938.db2.gz RPXMKBVKWLEGTE-QGZVFWFLSA-N 2 1 333.520 3.375 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1)C(C)C ZINC000356816894 141347940 /nfs/dbraw/zinc/34/79/40/141347940.db2.gz RPXMKBVKWLEGTE-QGZVFWFLSA-N 2 1 333.520 3.375 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1)C(C)C ZINC000356816894 141347942 /nfs/dbraw/zinc/34/79/42/141347942.db2.gz RPXMKBVKWLEGTE-QGZVFWFLSA-N 2 1 333.520 3.375 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@H]4C4CC4)[C@@H]3C2)cc1 ZINC000356825752 141349470 /nfs/dbraw/zinc/34/94/70/141349470.db2.gz AQFIAZWMMYSGGM-LUYSREMJSA-N 2 1 326.484 3.054 20 0 EGADMP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1(C)C ZINC000185190077 144106430 /nfs/dbraw/zinc/10/64/30/144106430.db2.gz SOHZHGMVTPGGQD-VQTJNVASSA-N 2 1 346.515 3.201 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C[C@H]12 ZINC000351477553 144266373 /nfs/dbraw/zinc/26/63/73/144266373.db2.gz NQUAIGSTNIRLEF-YSIASYRMSA-N 2 1 349.478 3.351 20 0 EGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351479517 144267204 /nfs/dbraw/zinc/26/72/04/144267204.db2.gz RJTXFENSJLTFBZ-UEEZHKSASA-N 2 1 332.835 3.120 20 0 EGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351479517 144267205 /nfs/dbraw/zinc/26/72/05/144267205.db2.gz RJTXFENSJLTFBZ-UEEZHKSASA-N 2 1 332.835 3.120 20 0 EGADMP Cc1cnc(C[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)n1C ZINC000341113025 155166108 /nfs/dbraw/zinc/16/61/08/155166108.db2.gz DMDMPTRZBBBQBK-CALCHBBNSA-N 2 1 340.515 3.496 20 0 EGADMP Cc1cnc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)n1C ZINC000341113025 155166111 /nfs/dbraw/zinc/16/61/11/155166111.db2.gz DMDMPTRZBBBQBK-CALCHBBNSA-N 2 1 340.515 3.496 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C1(C)C ZINC000344178906 286279354 /nfs/dbraw/zinc/27/93/54/286279354.db2.gz WQVKDZDBMAWYNK-QZTJIDSGSA-N 2 1 338.536 3.203 20 0 EGADMP CCCn1c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)nc2ccccc21 ZINC000119070413 152170866 /nfs/dbraw/zinc/17/08/66/152170866.db2.gz VZBXWQRPDZFFAW-OAHLLOKOSA-N 2 1 325.460 3.377 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cccn3C)CC2)cs1 ZINC000119177358 152181280 /nfs/dbraw/zinc/18/12/80/152181280.db2.gz DIGGRCDMWWEWHK-UHFFFAOYSA-N 2 1 332.517 3.046 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)Cc3ccccc3)C2)CC1 ZINC000120211015 152259906 /nfs/dbraw/zinc/25/99/06/152259906.db2.gz URNZMXPIJGLCAA-LEWJYISDSA-N 2 1 330.516 3.034 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000122121076 152392248 /nfs/dbraw/zinc/39/22/48/152392248.db2.gz WJCMCZAFETYUSV-UHFFFAOYSA-N 2 1 325.522 3.022 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000192922256 153266361 /nfs/dbraw/zinc/26/63/61/153266361.db2.gz PNTSXHQIJHNUMK-GOSISDBHSA-N 2 1 340.467 3.316 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000192922256 153266364 /nfs/dbraw/zinc/26/63/64/153266364.db2.gz PNTSXHQIJHNUMK-GOSISDBHSA-N 2 1 340.467 3.316 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000192923866 153266574 /nfs/dbraw/zinc/26/65/74/153266574.db2.gz IMYZJWADVRBEKI-IBGZPJMESA-N 2 1 338.451 3.070 20 0 EGADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195135798 153382192 /nfs/dbraw/zinc/38/21/92/153382192.db2.gz KQAPCBTWXPHOKB-WMZOPIPTSA-N 2 1 332.488 3.218 20 0 EGADMP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCCO[C@@H]21 ZINC000195137220 153383114 /nfs/dbraw/zinc/38/31/14/153383114.db2.gz FTEMRRXPYBOORZ-HAGHYFMRSA-N 2 1 328.500 3.302 20 0 EGADMP CCn1cc([C@@H](C)[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000310080590 154140411 /nfs/dbraw/zinc/14/04/11/154140411.db2.gz IZANHKUNJVBQMO-YLJYHZDGSA-N 2 1 326.488 3.466 20 0 EGADMP CCn1cc([C@@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000310080590 154140413 /nfs/dbraw/zinc/14/04/13/154140413.db2.gz IZANHKUNJVBQMO-YLJYHZDGSA-N 2 1 326.488 3.466 20 0 EGADMP CCc1noc(C)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336785621 154212036 /nfs/dbraw/zinc/21/20/36/154212036.db2.gz ABWUKEWOEZMHJT-RTBURBONSA-N 2 1 339.483 3.499 20 0 EGADMP CCc1noc(C)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336785621 154212039 /nfs/dbraw/zinc/21/20/39/154212039.db2.gz ABWUKEWOEZMHJT-RTBURBONSA-N 2 1 339.483 3.499 20 0 EGADMP CCc1noc(C)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336785621 154212041 /nfs/dbraw/zinc/21/20/41/154212041.db2.gz ABWUKEWOEZMHJT-RTBURBONSA-N 2 1 339.483 3.499 20 0 EGADMP CCc1noc(C)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336785621 154212044 /nfs/dbraw/zinc/21/20/44/154212044.db2.gz ABWUKEWOEZMHJT-RTBURBONSA-N 2 1 339.483 3.499 20 0 EGADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCC23CCC3)[C@@H](c2ccccc2)C1 ZINC000337402678 154334440 /nfs/dbraw/zinc/33/44/40/154334440.db2.gz QPZXEACHHMUGKT-WOJBJXKFSA-N 2 1 327.516 3.288 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1OC ZINC000337403357 154334855 /nfs/dbraw/zinc/33/48/55/154334855.db2.gz RYYSZDQHUFFUBW-CGTJXYLNSA-N 2 1 332.488 3.160 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1OCC(C)C ZINC000346848905 156162857 /nfs/dbraw/zinc/16/28/57/156162857.db2.gz FOMFSRQGRWTBGJ-OKZBNKHCSA-N 2 1 332.488 3.289 20 0 EGADMP C[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000346992202 156235217 /nfs/dbraw/zinc/23/52/17/156235217.db2.gz AMBKRUXTSSBZMO-PBWFPOADSA-N 2 1 346.368 3.482 20 0 EGADMP C[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000346992202 156235220 /nfs/dbraw/zinc/23/52/20/156235220.db2.gz AMBKRUXTSSBZMO-PBWFPOADSA-N 2 1 346.368 3.482 20 0 EGADMP CCC[N@H+](Cc1cc(OC)c(OC)cc1SC)C1CC[NH2+]CC1 ZINC000347003479 156239610 /nfs/dbraw/zinc/23/96/10/156239610.db2.gz LNQWQIWQCPNUGR-UHFFFAOYSA-N 2 1 338.517 3.390 20 0 EGADMP CCC[N@@H+](Cc1cc(OC)c(OC)cc1SC)C1CC[NH2+]CC1 ZINC000347003479 156239613 /nfs/dbraw/zinc/23/96/13/156239613.db2.gz LNQWQIWQCPNUGR-UHFFFAOYSA-N 2 1 338.517 3.390 20 0 EGADMP FC(F)(F)c1csc([C@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000347003444 156241120 /nfs/dbraw/zinc/24/11/20/156241120.db2.gz LKTFJZLBROOQLH-RYUDHWBXSA-N 2 1 333.423 3.341 20 0 EGADMP CC(C)COc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000349060890 156338831 /nfs/dbraw/zinc/33/88/31/156338831.db2.gz HDPQOIUCMZPZDP-UHFFFAOYSA-N 2 1 347.547 3.179 20 0 EGADMP COc1cc2c(c(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c1)O[C@H](C)C2 ZINC000349131020 156363582 /nfs/dbraw/zinc/36/35/82/156363582.db2.gz PDJCVHDARDTVKV-NVXWUHKLSA-N 2 1 344.499 3.182 20 0 EGADMP CCCOC1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCCCC1 ZINC000349130376 156363748 /nfs/dbraw/zinc/36/37/48/156363748.db2.gz NZFNRQADOYPSNP-UHFFFAOYSA-N 2 1 325.522 3.424 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)cc(=O)oc2c1C ZINC000365406264 157115417 /nfs/dbraw/zinc/11/54/17/157115417.db2.gz NNAHBAOLWDYPNF-QGZVFWFLSA-N 2 1 328.456 3.326 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)cc(=O)oc2c1C ZINC000365406264 157115419 /nfs/dbraw/zinc/11/54/19/157115419.db2.gz NNAHBAOLWDYPNF-QGZVFWFLSA-N 2 1 328.456 3.326 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)Cc3ccc4ccccc4c3)CC[C@H]21 ZINC000365559667 157170009 /nfs/dbraw/zinc/17/00/09/157170009.db2.gz SVRTWRYANYKSJV-YPAWHYETSA-N 2 1 338.495 3.159 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)Cc3ccc4ccccc4c3)CC[C@H]21 ZINC000365559667 157170013 /nfs/dbraw/zinc/17/00/13/157170013.db2.gz SVRTWRYANYKSJV-YPAWHYETSA-N 2 1 338.495 3.159 20 0 EGADMP Cc1cc(C(=O)C[N@H+]2CCC[C@H](c3nccn3C)C2)c(C)n1C1CC1 ZINC000365626631 157195883 /nfs/dbraw/zinc/19/58/83/157195883.db2.gz JECYAXPGXDFRBB-INIZCTEOSA-N 2 1 340.471 3.236 20 0 EGADMP Cc1cc(C(=O)C[N@@H+]2CCC[C@H](c3nccn3C)C2)c(C)n1C1CC1 ZINC000365626631 157195886 /nfs/dbraw/zinc/19/58/86/157195886.db2.gz JECYAXPGXDFRBB-INIZCTEOSA-N 2 1 340.471 3.236 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000107368676 162066144 /nfs/dbraw/zinc/06/61/44/162066144.db2.gz ZTBWWFSFKSCSPU-FQEVSTJZSA-N 2 1 329.532 3.196 20 0 EGADMP Cc1ccccc1Cc1nnc(C[NH+]2CCC(CC[NH+](C)C)CC2)o1 ZINC000129472664 162357971 /nfs/dbraw/zinc/35/79/71/162357971.db2.gz ZCUQVHBROBIXMK-UHFFFAOYSA-N 2 1 342.487 3.133 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000130618272 162374636 /nfs/dbraw/zinc/37/46/36/162374636.db2.gz ZLEXDORQCQLBEK-KDOFPFPSSA-N 2 1 329.419 3.443 20 0 EGADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000130618272 162374639 /nfs/dbraw/zinc/37/46/39/162374639.db2.gz ZLEXDORQCQLBEK-KDOFPFPSSA-N 2 1 329.419 3.443 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000130618272 162374649 /nfs/dbraw/zinc/37/46/49/162374649.db2.gz ZLEXDORQCQLBEK-KDOFPFPSSA-N 2 1 329.419 3.443 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000130618272 162374652 /nfs/dbraw/zinc/37/46/52/162374652.db2.gz ZLEXDORQCQLBEK-KDOFPFPSSA-N 2 1 329.419 3.443 20 0 EGADMP COC(=O)c1ccc(F)c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000248408556 163001670 /nfs/dbraw/zinc/00/16/70/163001670.db2.gz VPWCEZWYPNDWKN-HNAYVOBHSA-N 2 1 346.446 3.061 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCC[C@@H]5OCC[C@@H]54)[C@@H]3C2)cc1 ZINC000248411333 163001953 /nfs/dbraw/zinc/00/19/53/163001953.db2.gz ICQYBUFWEZXHNB-JVTHYKSUSA-N 2 1 340.511 3.444 20 0 EGADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248969250 163048088 /nfs/dbraw/zinc/04/80/88/163048088.db2.gz CGUJRMAGUZCWFB-JRSUCEMESA-N 2 1 328.500 3.038 20 0 EGADMP C[N@@H+](CCOc1cccc(F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354882863 166055024 /nfs/dbraw/zinc/05/50/24/166055024.db2.gz QIMMUMYCZNKXTJ-UHFFFAOYSA-N 2 1 343.446 3.448 20 0 EGADMP CCN(C)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000355207713 166133577 /nfs/dbraw/zinc/13/35/77/166133577.db2.gz XZGZQTFSGQLWLZ-HXUWFJFHSA-N 2 1 338.499 3.149 20 0 EGADMP Cn1cnc2cc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000355216836 166137833 /nfs/dbraw/zinc/13/78/33/166137833.db2.gz JKGJEOKLJCVSIB-IBGZPJMESA-N 2 1 334.467 3.185 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)COc1ncccc1C(F)(F)F ZINC000355228107 166140419 /nfs/dbraw/zinc/14/04/19/166140419.db2.gz VRXJXBBMVRKAOQ-CYBMUJFWSA-N 2 1 345.409 3.332 20 0 EGADMP Cc1[nH+]ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1Cl ZINC000355684010 166282364 /nfs/dbraw/zinc/28/23/64/166282364.db2.gz OLLVHWLAVFAAFV-KRWDZBQOSA-N 2 1 345.874 3.168 20 0 EGADMP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000359034439 167045401 /nfs/dbraw/zinc/04/54/01/167045401.db2.gz JQZRYGHITLUUDC-YMTQGWHGSA-N 2 1 343.515 3.033 20 0 EGADMP C[N@H+]1CCN(CCC[NH2+]C[C@H]2CC=CCC2)[C@H](c2ccccc2)C1 ZINC000359080014 167061721 /nfs/dbraw/zinc/06/17/21/167061721.db2.gz DCUDWHJAQIBFRZ-FPOVZHCZSA-N 2 1 327.516 3.311 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000359103296 167067758 /nfs/dbraw/zinc/06/77/58/167067758.db2.gz HGNKGHWCVOPKRC-YLJYHZDGSA-N 2 1 338.499 3.290 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000359103296 167067761 /nfs/dbraw/zinc/06/77/61/167067761.db2.gz HGNKGHWCVOPKRC-YLJYHZDGSA-N 2 1 338.499 3.290 20 0 EGADMP COC1(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CCCCC1 ZINC000359680182 167207460 /nfs/dbraw/zinc/20/74/60/167207460.db2.gz YVQQXIIHDHYIQA-FQEVSTJZSA-N 2 1 346.515 3.082 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000359805822 167237272 /nfs/dbraw/zinc/23/72/72/167237272.db2.gz ZEUUEFTWPVHRNV-KRWDZBQOSA-N 2 1 331.504 3.133 20 0 EGADMP CC(C)[NH+]1CCC(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000360701466 167391005 /nfs/dbraw/zinc/39/10/05/167391005.db2.gz XDBAIFURTMIJHW-QUCCMNQESA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000360701466 167391007 /nfs/dbraw/zinc/39/10/07/167391007.db2.gz XDBAIFURTMIJHW-QUCCMNQESA-N 3 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000360701466 167391009 /nfs/dbraw/zinc/39/10/09/167391009.db2.gz XDBAIFURTMIJHW-QUCCMNQESA-N 3 1 329.532 3.359 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H](C)C2)CC1 ZINC000360720238 167397957 /nfs/dbraw/zinc/39/79/57/167397957.db2.gz XZXIECSSQIHKPD-NQIIRXRSSA-N 2 1 329.532 3.492 20 0 EGADMP CC[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000366951331 168160014 /nfs/dbraw/zinc/16/00/14/168160014.db2.gz IVVZQEISAWXYGF-WOJBJXKFSA-N 2 1 326.488 3.373 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000367017992 168169387 /nfs/dbraw/zinc/16/93/87/168169387.db2.gz ZDCNFRKYZRHBJV-IBGZPJMESA-N 2 1 348.491 3.057 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000367017992 168169389 /nfs/dbraw/zinc/16/93/89/168169389.db2.gz ZDCNFRKYZRHBJV-IBGZPJMESA-N 2 1 348.491 3.057 20 0 EGADMP OC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000367552065 168241082 /nfs/dbraw/zinc/24/10/82/168241082.db2.gz MMVSJZZGSCBFME-LILSUDLASA-N 2 1 342.527 3.285 20 0 EGADMP CC(C)c1cc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)nc(C(C)C)n1 ZINC000367733290 168264553 /nfs/dbraw/zinc/26/45/53/168264553.db2.gz GZJMXHRBROWNBU-HZPDHXFCSA-N 2 1 332.492 3.023 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000151153887 287265391 /nfs/dbraw/zinc/26/53/91/287265391.db2.gz OGQKSEAGCNOQAI-XLIONFOSSA-N 2 1 343.515 3.190 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)CC[N@H+]1C ZINC000159272255 225184586 /nfs/dbraw/zinc/18/45/86/225184586.db2.gz WDWYYRAJZJADEX-YOEHRIQHSA-N 2 1 327.428 3.104 20 0 EGADMP COCCCOc1cc(C)ccc1C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000167238170 226183584 /nfs/dbraw/zinc/18/35/84/226183584.db2.gz WVTIHBSTKSGYPV-SCTDSRPQSA-N 2 1 334.504 3.229 20 0 EGADMP COCCCOc1cc(C)ccc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000167238170 226183589 /nfs/dbraw/zinc/18/35/89/226183589.db2.gz WVTIHBSTKSGYPV-SCTDSRPQSA-N 2 1 334.504 3.229 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)CO[C@@H]2CCOC2)cc1 ZINC000166464987 226159710 /nfs/dbraw/zinc/15/97/10/226159710.db2.gz OKUROIQLZXJHJD-ZRGWGRIASA-N 2 1 329.444 3.025 20 0 EGADMP C[C@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123503721 222288241 /nfs/dbraw/zinc/28/82/41/222288241.db2.gz WXDGVCOBFUKPNF-QGZVFWFLSA-N 2 1 341.503 3.382 20 0 EGADMP c1cn2cc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)nc2s1 ZINC000178916392 265349998 /nfs/dbraw/zinc/34/99/98/265349998.db2.gz FFAZUQFWMFJMLE-UHFFFAOYSA-N 2 1 332.517 3.484 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[N@H+]1C ZINC000230975529 266205296 /nfs/dbraw/zinc/20/52/96/266205296.db2.gz ZLTUMOJZTDZEFX-LSDHHAIUSA-N 2 1 327.513 3.094 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3OC)[C@H](C)C1 ZINC000268880261 266285038 /nfs/dbraw/zinc/28/50/38/266285038.db2.gz HYOODXOECHCIQK-LSTHTHJFSA-N 2 1 346.515 3.409 20 0 EGADMP Cc1nc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cs1 ZINC000269443603 266295522 /nfs/dbraw/zinc/29/55/22/266295522.db2.gz UDWSNDJGYDHACD-GFCCVEGCSA-N 2 1 331.489 3.178 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000269691434 266342871 /nfs/dbraw/zinc/34/28/71/266342871.db2.gz WFCIBPGSTDEOFC-RMKNXTFCSA-N 2 1 327.516 3.190 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273630129 267072155 /nfs/dbraw/zinc/07/21/55/267072155.db2.gz SGCNNHRJFUZFGW-IEBWSBKVSA-N 2 1 329.419 3.297 20 0 EGADMP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274779562 267285766 /nfs/dbraw/zinc/28/57/66/267285766.db2.gz OSRDNQDHSJNOPU-OFOKGCAXSA-N 2 1 340.511 3.444 20 0 EGADMP Cc1n[nH]cc1CCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274897679 267302986 /nfs/dbraw/zinc/30/29/86/267302986.db2.gz KPLKCKOKJDVBST-JXFKEZNVSA-N 2 1 326.488 3.151 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000276948930 267659797 /nfs/dbraw/zinc/65/97/97/267659797.db2.gz DMTRRHACDPFHGR-SJORKVTESA-N 2 1 337.826 3.494 20 0 EGADMP C[C@H](CCO)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000278485639 268024312 /nfs/dbraw/zinc/02/43/12/268024312.db2.gz BAMZWUSRXSLSIF-CWJKEVGVSA-N 2 1 330.516 3.285 20 0 EGADMP CSc1ccccc1[C@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000194883664 275229263 /nfs/dbraw/zinc/22/92/63/275229263.db2.gz ZYBMWSHFSVYECU-INIZCTEOSA-N 2 1 335.561 3.333 20 0 EGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@H]1CCCOc3cc4c(cc31)CCC4)C2 ZINC000278952673 275290762 /nfs/dbraw/zinc/29/07/62/275290762.db2.gz LNBQCMSHTSRLIW-BEFAXECRSA-N 2 1 337.467 3.438 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](c2ccccc2)C(C)C)CC1 ZINC000279797101 275360375 /nfs/dbraw/zinc/36/03/75/275360375.db2.gz DHKBXUSSKSCELA-NRFANRHFSA-N 2 1 331.548 3.434 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000279958938 275382047 /nfs/dbraw/zinc/38/20/47/275382047.db2.gz OYBBSOFDGOGQCM-UHFFFAOYSA-N 2 1 330.451 3.221 20 0 EGADMP O=c1ccccn1C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000282617777 275654016 /nfs/dbraw/zinc/65/40/16/275654016.db2.gz XPEHDISSQGDFDU-HXUWFJFHSA-N 2 1 339.483 3.055 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000173895260 276072804 /nfs/dbraw/zinc/07/28/04/276072804.db2.gz PJHAGAUCONSULF-ZDUSSCGKSA-N 2 1 341.858 3.081 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000173895260 276072805 /nfs/dbraw/zinc/07/28/05/276072805.db2.gz PJHAGAUCONSULF-ZDUSSCGKSA-N 2 1 341.858 3.081 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000173895260 276072806 /nfs/dbraw/zinc/07/28/06/276072806.db2.gz PJHAGAUCONSULF-ZDUSSCGKSA-N 2 1 341.858 3.081 20 0 EGADMP CCN(CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)CC(F)(F)F ZINC000355052307 276123589 /nfs/dbraw/zinc/12/35/89/276123589.db2.gz NWAGUISTGXYNDR-RDJZCZTQSA-N 2 1 347.469 3.209 20 0 EGADMP CCN(CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)CC(F)(F)F ZINC000355052307 276123591 /nfs/dbraw/zinc/12/35/91/276123591.db2.gz NWAGUISTGXYNDR-RDJZCZTQSA-N 2 1 347.469 3.209 20 0 EGADMP CCN(CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)CC(F)(F)F ZINC000355052307 276123592 /nfs/dbraw/zinc/12/35/92/276123592.db2.gz NWAGUISTGXYNDR-RDJZCZTQSA-N 2 1 347.469 3.209 20 0 EGADMP CCN(CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)CC(F)(F)F ZINC000355052307 276123593 /nfs/dbraw/zinc/12/35/93/276123593.db2.gz NWAGUISTGXYNDR-RDJZCZTQSA-N 2 1 347.469 3.209 20 0 EGADMP COc1nc(C)cc(C)c1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000287572796 276134755 /nfs/dbraw/zinc/13/47/55/276134755.db2.gz BUBZQPOTJPAOHC-DLBZAZTESA-N 2 1 331.504 3.450 20 0 EGADMP COc1nc(C)cc(C)c1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000287572796 276134756 /nfs/dbraw/zinc/13/47/56/276134756.db2.gz BUBZQPOTJPAOHC-DLBZAZTESA-N 2 1 331.504 3.450 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000289148659 276297024 /nfs/dbraw/zinc/29/70/24/276297024.db2.gz GDTGYRHKEPTZMJ-UZLBHIALSA-N 2 1 341.499 3.372 20 0 EGADMP Cc1ccncc1CCC[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000289200864 276303598 /nfs/dbraw/zinc/30/35/98/276303598.db2.gz VLHUVHGNEKXWHK-QGZVFWFLSA-N 2 1 333.476 3.312 20 0 EGADMP CC[N@@H+](Cc1cnc(N(C)C)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289433719 276338593 /nfs/dbraw/zinc/33/85/93/276338593.db2.gz LEFMIFXICMKVRD-UHFFFAOYSA-N 2 1 332.517 3.293 20 0 EGADMP COc1ccccc1[C@@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290351743 276483941 /nfs/dbraw/zinc/48/39/41/276483941.db2.gz QEFRNPGRBSJADS-MRXNPFEDSA-N 2 1 343.471 3.272 20 0 EGADMP c1cc2c(nc[nH+]c2N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)[nH]1 ZINC000292620629 276838142 /nfs/dbraw/zinc/83/81/42/276838142.db2.gz DIQIYFJEOLQVRN-UHFFFAOYSA-N 2 1 347.466 3.450 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@](C)(O)C(F)(F)F)CC1 ZINC000375612625 278331781 /nfs/dbraw/zinc/33/17/81/278331781.db2.gz NWWUBQMLVRLEBZ-GOEBONIOSA-N 2 1 336.442 3.276 20 0 EGADMP CCN(C(=O)[C@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000373507908 279011194 /nfs/dbraw/zinc/01/11/94/279011194.db2.gz CUXRDNGOCCSQFU-QGZVKYPTSA-N 2 1 343.515 3.059 20 0 EGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000357669116 279137909 /nfs/dbraw/zinc/13/79/09/279137909.db2.gz WHECZACSKMZYHW-KRWDZBQOSA-N 2 1 348.535 3.056 20 0 EGADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000181721904 279312406 /nfs/dbraw/zinc/31/24/06/279312406.db2.gz JEQXUAKVOINKNB-KGLIPLIRSA-N 2 1 335.879 3.373 20 0 EGADMP Cc1ccc2cc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)ccc2n1 ZINC000375356393 281142322 /nfs/dbraw/zinc/14/23/22/281142322.db2.gz NJLWDBWXKLJNQO-CEWLAPEOSA-N 2 1 339.483 3.227 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000375621407 289374490 /nfs/dbraw/zinc/37/44/90/289374490.db2.gz SHKLPNYMVRSECS-QFBILLFUSA-N 2 1 339.524 3.050 20 0 EGADMP Cc1nc(C)c([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000178037983 293244955 /nfs/dbraw/zinc/24/49/55/293244955.db2.gz ZAXROGBYEAVTIQ-MJBXVCDLSA-N 2 1 325.522 3.300 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000413710692 309044469 /nfs/dbraw/zinc/04/44/69/309044469.db2.gz IJDJVZTVEIGNGN-HXUWFJFHSA-N 2 1 343.515 3.275 20 0 EGADMP C[C@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)C1=CC[N@@H+](C)CC1 ZINC000413715889 309044657 /nfs/dbraw/zinc/04/46/57/309044657.db2.gz LBNYYZNFPHYRAZ-KRWDZBQOSA-N 2 1 341.499 3.053 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000414112293 309061546 /nfs/dbraw/zinc/06/15/46/309061546.db2.gz XTAPXSDSBMNUCB-ZIFCJYIRSA-N 2 1 326.488 3.371 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000414317275 309072459 /nfs/dbraw/zinc/07/24/59/309072459.db2.gz VROJVQKBBGXIEM-QZTJIDSGSA-N 2 1 328.435 3.036 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000414317275 309072460 /nfs/dbraw/zinc/07/24/60/309072460.db2.gz VROJVQKBBGXIEM-QZTJIDSGSA-N 2 1 328.435 3.036 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000414373796 309076099 /nfs/dbraw/zinc/07/60/99/309076099.db2.gz ZXGZJOFGDIWRGT-ROUUACIJSA-N 2 1 330.451 3.282 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000248166494 308000138 /nfs/dbraw/zinc/00/01/38/308000138.db2.gz TUDMCRAJMUXREK-DOTOQJQBSA-N 2 1 334.504 3.301 20 0 EGADMP CCOC(=O)CCCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248400946 308002147 /nfs/dbraw/zinc/00/21/47/308002147.db2.gz RDZMKMOKSIVXHJ-WGMWDUQUSA-N 2 1 346.515 3.466 20 0 EGADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cnn1C(C)C ZINC000248703683 308009550 /nfs/dbraw/zinc/00/95/50/308009550.db2.gz NSSVGFAWKNQNLV-CWFSZBLJSA-N 2 1 348.535 3.191 20 0 EGADMP CC[C@]1(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000248726323 308010158 /nfs/dbraw/zinc/01/01/58/308010158.db2.gz NDJKXXIUBMSGEX-DYESRHJHSA-N 2 1 343.515 3.209 20 0 EGADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248817987 308012162 /nfs/dbraw/zinc/01/21/62/308012162.db2.gz LDNJSAKVGZLDQO-LWASTNQWSA-N 2 1 344.499 3.074 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCO[C@H]1CCCCO1 ZINC000248841037 308013137 /nfs/dbraw/zinc/01/31/37/308013137.db2.gz QQYLAYSEEXOHSW-IZZBFERCSA-N 2 1 346.515 3.276 20 0 EGADMP C[C@@H](CCC1CC1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248972618 308015979 /nfs/dbraw/zinc/01/59/79/308015979.db2.gz GZEMLRNYGKSKOE-OXJNMPFZSA-N 2 1 343.515 3.052 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H](c1ccccc1)N(C)C ZINC000253359115 308033721 /nfs/dbraw/zinc/03/37/21/308033721.db2.gz CFYLJCCJTRZKPG-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000253359115 308033724 /nfs/dbraw/zinc/03/37/24/308033724.db2.gz CFYLJCCJTRZKPG-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000253359115 308033725 /nfs/dbraw/zinc/03/37/25/308033725.db2.gz CFYLJCCJTRZKPG-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000255577816 308054769 /nfs/dbraw/zinc/05/47/69/308054769.db2.gz XCKCCPABDKHWRA-YFHOEESVSA-N 2 1 338.499 3.303 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292881316 308076064 /nfs/dbraw/zinc/07/60/64/308076064.db2.gz DZNNBZFLFLZVPY-IBGZPJMESA-N 2 1 347.528 3.155 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292881316 308076065 /nfs/dbraw/zinc/07/60/65/308076065.db2.gz DZNNBZFLFLZVPY-IBGZPJMESA-N 2 1 347.528 3.155 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292881316 308076066 /nfs/dbraw/zinc/07/60/66/308076066.db2.gz DZNNBZFLFLZVPY-IBGZPJMESA-N 2 1 347.528 3.155 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)cc1)C(C)C ZINC000294017926 308183254 /nfs/dbraw/zinc/18/32/54/308183254.db2.gz YUMZNKNJROMFNU-NRFANRHFSA-N 2 1 343.515 3.085 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1)C(C)C ZINC000294017926 308183256 /nfs/dbraw/zinc/18/32/56/308183256.db2.gz YUMZNKNJROMFNU-NRFANRHFSA-N 2 1 343.515 3.085 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1)C(C)C ZINC000294017926 308183258 /nfs/dbraw/zinc/18/32/58/308183258.db2.gz YUMZNKNJROMFNU-NRFANRHFSA-N 2 1 343.515 3.085 20 0 EGADMP COc1c(Br)cccc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000414657889 309094075 /nfs/dbraw/zinc/09/40/75/309094075.db2.gz IGTMFMIJVMVBMV-CQSZACIVSA-N 2 1 329.282 3.263 20 0 EGADMP COc1c(Br)cccc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000414657889 309094076 /nfs/dbraw/zinc/09/40/76/309094076.db2.gz IGTMFMIJVMVBMV-CQSZACIVSA-N 2 1 329.282 3.263 20 0 EGADMP COCC[N@@H+](C)CCCN[C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000296012301 308384479 /nfs/dbraw/zinc/38/44/79/308384479.db2.gz OWVPXEPQTQROFB-QGZVFWFLSA-N 2 1 343.471 3.493 20 0 EGADMP CC[N@H+](Cc1ccc(Br)cc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000414707623 309096573 /nfs/dbraw/zinc/09/65/73/309096573.db2.gz BUTWJDIPNIHKNU-OAHLLOKOSA-N 2 1 341.293 3.422 20 0 EGADMP CC[N@@H+](Cc1ccc(Br)cc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000414707623 309096574 /nfs/dbraw/zinc/09/65/74/309096574.db2.gz BUTWJDIPNIHKNU-OAHLLOKOSA-N 2 1 341.293 3.422 20 0 EGADMP CC(C)c1ccc([C@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414716333 309096971 /nfs/dbraw/zinc/09/69/71/309096971.db2.gz ZUVHXVSNZSYLMU-YLJYHZDGSA-N 2 1 343.515 3.144 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC[C@@H]1[NH3+] ZINC000414661827 309094449 /nfs/dbraw/zinc/09/44/49/309094449.db2.gz QGNVDTLMMYZBOP-QAPCUYQASA-N 2 1 339.487 3.229 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC[C@@H]1[NH3+] ZINC000414661827 309094450 /nfs/dbraw/zinc/09/44/50/309094450.db2.gz QGNVDTLMMYZBOP-QAPCUYQASA-N 2 1 339.487 3.229 20 0 EGADMP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1OC(F)F ZINC000414670015 309094699 /nfs/dbraw/zinc/09/46/99/309094699.db2.gz CMQFRSZFAIGVPM-GXTWGEPZSA-N 2 1 328.403 3.117 20 0 EGADMP CCC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](CC)c1ccccc1 ZINC000414673178 309094873 /nfs/dbraw/zinc/09/48/73/309094873.db2.gz IPPWLZDSRHAYKM-HKUYNNGSSA-N 2 1 331.504 3.047 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000414723496 309097543 /nfs/dbraw/zinc/09/75/43/309097543.db2.gz POZILJIGTZSCNM-JFIYKMOQSA-N 3 1 333.545 3.080 20 0 EGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2cc(Br)ccc2F)CC[NH2+]1 ZINC000414745544 309098579 /nfs/dbraw/zinc/09/85/79/309098579.db2.gz KZQRNLZSNAHELF-NWDGAFQWSA-N 2 1 329.257 3.408 20 0 EGADMP CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414766932 309099548 /nfs/dbraw/zinc/09/95/48/309099548.db2.gz IVBPFPVBOMRTNP-BGYRXZFFSA-N 2 1 329.532 3.076 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414766932 309099549 /nfs/dbraw/zinc/09/95/49/309099549.db2.gz IVBPFPVBOMRTNP-BGYRXZFFSA-N 3 1 329.532 3.076 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414766932 309099550 /nfs/dbraw/zinc/09/95/50/309099550.db2.gz IVBPFPVBOMRTNP-BGYRXZFFSA-N 3 1 329.532 3.076 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414766932 309099551 /nfs/dbraw/zinc/09/95/51/309099551.db2.gz IVBPFPVBOMRTNP-BGYRXZFFSA-N 3 1 329.532 3.076 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414766932 309099552 /nfs/dbraw/zinc/09/95/52/309099552.db2.gz IVBPFPVBOMRTNP-BGYRXZFFSA-N 3 1 329.532 3.076 20 0 EGADMP Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414766834 309099573 /nfs/dbraw/zinc/09/95/73/309099573.db2.gz IKOKDCYVGLNACN-HDICACEKSA-N 2 1 325.431 3.319 20 0 EGADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000414772211 309099952 /nfs/dbraw/zinc/09/99/52/309099952.db2.gz BKWDFIMBUYKBJG-MSOLQXFVSA-N 2 1 325.456 3.472 20 0 EGADMP CSc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H]3CC[NH2+]C3)C1)OCCO2 ZINC000414777912 309100515 /nfs/dbraw/zinc/10/05/15/309100515.db2.gz IOTLCERJUOMYCG-LSDHHAIUSA-N 2 1 348.512 3.001 20 0 EGADMP Fc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000414781499 309100638 /nfs/dbraw/zinc/10/06/38/309100638.db2.gz NBVISDREBILRCX-UONOGXRCSA-N 2 1 341.268 3.410 20 0 EGADMP Brc1ccsc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784451 309100947 /nfs/dbraw/zinc/10/09/47/309100947.db2.gz RHIAFEPCXREWQN-RYUDHWBXSA-N 2 1 329.307 3.332 20 0 EGADMP COc1ccc(C[C@H](C)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1F ZINC000414788136 309101268 /nfs/dbraw/zinc/10/12/68/309101268.db2.gz WIBINTIQPVTFIF-SZMVWBNQSA-N 2 1 334.479 3.334 20 0 EGADMP CC(C)([NH3+])C[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000414808442 309102714 /nfs/dbraw/zinc/10/27/14/309102714.db2.gz SVTYEESKMRPGLP-LLVKDONJSA-N 2 1 344.299 3.386 20 0 EGADMP CC(C)([NH3+])C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000414810953 309103040 /nfs/dbraw/zinc/10/30/40/309103040.db2.gz YPDVCQSWQLFUNQ-UHFFFAOYSA-N 2 1 325.172 3.295 20 0 EGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414828205 309104176 /nfs/dbraw/zinc/10/41/76/309104176.db2.gz LPBWTJNWIRAFBW-SFHVURJKSA-N 2 1 340.515 3.318 20 0 EGADMP CCc1cc(N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000302121983 308729863 /nfs/dbraw/zinc/72/98/63/308729863.db2.gz YILGYFYTOVXXGA-HOTGVXAUSA-N 2 1 346.519 3.063 20 0 EGADMP CC(C)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1nncn1C ZINC000411717975 308950056 /nfs/dbraw/zinc/95/00/56/308950056.db2.gz IQGZMAMPQOAHFO-LJQANCHMSA-N 2 1 341.503 3.288 20 0 EGADMP COc1cc(C[NH2+]CC2([NH3+])CCC2)c(-c2ccccc2)cc1OC ZINC000414880487 309107060 /nfs/dbraw/zinc/10/70/60/309107060.db2.gz QTOSURYHNDOQRX-UHFFFAOYSA-N 2 1 326.440 3.342 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414968448 309112137 /nfs/dbraw/zinc/11/21/37/309112137.db2.gz IDDSANYELVYSJN-AWEZNQCLSA-N 2 1 334.357 3.245 20 0 EGADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000414985107 309112802 /nfs/dbraw/zinc/11/28/02/309112802.db2.gz VRRKVMWSKWKPKS-SECBINFHSA-N 2 1 336.071 3.039 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415012347 309114266 /nfs/dbraw/zinc/11/42/66/309114266.db2.gz SJDKMNKGGOMPNX-VQTJNVASSA-N 3 1 329.532 3.122 20 0 EGADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415012347 309114267 /nfs/dbraw/zinc/11/42/67/309114267.db2.gz SJDKMNKGGOMPNX-VQTJNVASSA-N 2 1 329.532 3.122 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000415026254 309115063 /nfs/dbraw/zinc/11/50/63/309115063.db2.gz SIDFDCHUMFFMKL-XCJLJZCSSA-N 3 1 329.532 3.394 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000415026254 309115064 /nfs/dbraw/zinc/11/50/64/309115064.db2.gz SIDFDCHUMFFMKL-XCJLJZCSSA-N 3 1 329.532 3.394 20 0 EGADMP Fc1ccc(Cn2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cn2)cc1 ZINC000415034257 309115543 /nfs/dbraw/zinc/11/55/43/309115543.db2.gz CMJUTQKVFVBTSE-AZUAARDMSA-N 2 1 342.462 3.035 20 0 EGADMP Fc1ccc(Cn2cc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cn2)cc1 ZINC000415034257 309115544 /nfs/dbraw/zinc/11/55/44/309115544.db2.gz CMJUTQKVFVBTSE-AZUAARDMSA-N 2 1 342.462 3.035 20 0 EGADMP c1cc(OC[C@@H]2CCCO2)ccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415057066 309117092 /nfs/dbraw/zinc/11/70/92/309117092.db2.gz TTZHQLOCMMUJHA-JBACZVJFSA-N 2 1 344.499 3.208 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415059135 309117371 /nfs/dbraw/zinc/11/73/71/309117371.db2.gz WSHZTZFXYUEWFA-OXQOHEQNSA-N 2 1 342.462 3.284 20 0 EGADMP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000415070492 309118070 /nfs/dbraw/zinc/11/80/70/309118070.db2.gz QMYWYWAOOHZULP-QGZVFWFLSA-N 2 1 338.879 3.130 20 0 EGADMP [NH3+]C[C@H](NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000415071233 309118237 /nfs/dbraw/zinc/11/82/37/309118237.db2.gz WDYZWYDSZPMXNA-IBGZPJMESA-N 2 1 335.923 3.412 20 0 EGADMP COCCOc1cc(C)ccc1C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415086481 309119355 /nfs/dbraw/zinc/11/93/55/309119355.db2.gz RREVTEYCWGDVPC-MJGOQNOKSA-N 2 1 334.504 3.421 20 0 EGADMP COCCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415094685 309119956 /nfs/dbraw/zinc/11/99/56/309119956.db2.gz XRCQJXVGQHPLGZ-FPOVZHCZSA-N 2 1 340.467 3.295 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CCCO1 ZINC000415109096 309120918 /nfs/dbraw/zinc/12/09/18/309120918.db2.gz NOQURSHCCCJSBG-IBGZPJMESA-N 2 1 346.421 3.146 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CCCO1 ZINC000415109096 309120919 /nfs/dbraw/zinc/12/09/19/309120919.db2.gz NOQURSHCCCJSBG-IBGZPJMESA-N 2 1 346.421 3.146 20 0 EGADMP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415114428 309121200 /nfs/dbraw/zinc/12/12/00/309121200.db2.gz SOWLPSUMQWOWNX-QGZVFWFLSA-N 2 1 328.456 3.177 20 0 EGADMP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415114428 309121201 /nfs/dbraw/zinc/12/12/01/309121201.db2.gz SOWLPSUMQWOWNX-QGZVFWFLSA-N 2 1 328.456 3.177 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415120427 309121712 /nfs/dbraw/zinc/12/17/12/309121712.db2.gz FZMSCFUDIWWGDX-WFASDCNBSA-N 2 1 348.441 3.184 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000415931570 309149508 /nfs/dbraw/zinc/14/95/08/309149508.db2.gz MFQQJWLVRVMRKJ-SFHVURJKSA-N 2 1 332.492 3.038 20 0 EGADMP CC[N@@H+](CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C(C)C ZINC000415977687 309152415 /nfs/dbraw/zinc/15/24/15/309152415.db2.gz XBKZXHQHQNUNLT-UHFFFAOYSA-N 2 1 346.397 3.016 20 0 EGADMP Brc1ccc2[nH+]ccc(N3CC[C@@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000420252765 309278171 /nfs/dbraw/zinc/27/81/71/309278171.db2.gz BUORJZAVZIQSGP-NEPJUHHUSA-N 2 1 332.245 3.043 20 0 EGADMP COC(=O)CC1(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000420301764 309280396 /nfs/dbraw/zinc/28/03/96/309280396.db2.gz AXMQKJKEIHESQP-MRXNPFEDSA-N 2 1 348.512 3.036 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420306862 309280832 /nfs/dbraw/zinc/28/08/32/309280832.db2.gz BCRXQQLYXKUWRD-SBHAEUEKSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000420306862 309280833 /nfs/dbraw/zinc/28/08/33/309280833.db2.gz BCRXQQLYXKUWRD-SBHAEUEKSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000420306862 309280834 /nfs/dbraw/zinc/28/08/34/309280834.db2.gz BCRXQQLYXKUWRD-SBHAEUEKSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@H]2CCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000420306862 309280835 /nfs/dbraw/zinc/28/08/35/309280835.db2.gz BCRXQQLYXKUWRD-SBHAEUEKSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@H]2CCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000420306862 309280836 /nfs/dbraw/zinc/28/08/36/309280836.db2.gz BCRXQQLYXKUWRD-SBHAEUEKSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH2+]CCC1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000420313540 309281105 /nfs/dbraw/zinc/28/11/05/309281105.db2.gz UKCMGQUWFNDDNA-UHFFFAOYSA-N 2 1 330.501 3.130 20 0 EGADMP C[NH2+]CCC1CC[NH+](Cc2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000420311184 309281275 /nfs/dbraw/zinc/28/12/75/309281275.db2.gz QOAFBWUAHNZSSF-UHFFFAOYSA-N 2 1 332.423 3.006 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000420319407 309281849 /nfs/dbraw/zinc/28/18/49/309281849.db2.gz PHGDXNWVWYVXCM-CVEARBPZSA-N 2 1 331.485 3.074 20 0 EGADMP CC[C@H](C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000420318284 309281895 /nfs/dbraw/zinc/28/18/95/309281895.db2.gz OILINXJOFLKCOH-HOTGVXAUSA-N 2 1 342.487 3.326 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420322252 309282011 /nfs/dbraw/zinc/28/20/11/309282011.db2.gz WKGANRGYTFSNEO-CYBMUJFWSA-N 2 1 332.469 3.391 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420322252 309282012 /nfs/dbraw/zinc/28/20/12/309282012.db2.gz WKGANRGYTFSNEO-CYBMUJFWSA-N 2 1 332.469 3.391 20 0 EGADMP C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321229 309282188 /nfs/dbraw/zinc/28/21/88/309282188.db2.gz CNZLNWIBAPQNGP-NXHRZFHOSA-N 2 1 340.471 3.043 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H](c3nc(C)cs3)C2)cc1 ZINC000420327357 309282317 /nfs/dbraw/zinc/28/23/17/309282317.db2.gz YOIKMMDXBMERTB-SJORKVTESA-N 2 1 345.512 3.382 20 0 EGADMP CCOc1ccccc1C[N@@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420325656 309282411 /nfs/dbraw/zinc/28/24/11/309282411.db2.gz WMONPHXIVHUDDE-GOSISDBHSA-N 2 1 328.456 3.268 20 0 EGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328489 309282498 /nfs/dbraw/zinc/28/24/98/309282498.db2.gz MQFJDJKHUNVENM-GXTWGEPZSA-N 2 1 326.843 3.227 20 0 EGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328489 309282499 /nfs/dbraw/zinc/28/24/99/309282499.db2.gz MQFJDJKHUNVENM-GXTWGEPZSA-N 2 1 326.843 3.227 20 0 EGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328492 309282673 /nfs/dbraw/zinc/28/26/73/309282673.db2.gz MQFJDJKHUNVENM-OCCSQVGLSA-N 2 1 326.843 3.227 20 0 EGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328492 309282674 /nfs/dbraw/zinc/28/26/74/309282674.db2.gz MQFJDJKHUNVENM-OCCSQVGLSA-N 2 1 326.843 3.227 20 0 EGADMP CCn1c2ccc(F)cc2nc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420335178 309282795 /nfs/dbraw/zinc/28/27/95/309282795.db2.gz KFWZCYGZJCCQJX-INIZCTEOSA-N 2 1 330.451 3.159 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420336997 309282984 /nfs/dbraw/zinc/28/29/84/309282984.db2.gz JFMHXDANNLPYCN-HZPDHXFCSA-N 2 1 349.906 3.217 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420336997 309282985 /nfs/dbraw/zinc/28/29/85/309282985.db2.gz JFMHXDANNLPYCN-HZPDHXFCSA-N 2 1 349.906 3.217 20 0 EGADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420343823 309283507 /nfs/dbraw/zinc/28/35/07/309283507.db2.gz RMRGNCSBPVUBKU-PVAVHDDUSA-N 2 1 326.444 3.119 20 0 EGADMP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CC[C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000420359427 309284101 /nfs/dbraw/zinc/28/41/01/309284101.db2.gz KMEQJFQRAHMGEA-DLBZAZTESA-N 2 1 326.488 3.440 20 0 EGADMP Cc1ccc2nc([C@@H]3CCC[N@H+](CC[C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC000420359427 309284102 /nfs/dbraw/zinc/28/41/02/309284102.db2.gz KMEQJFQRAHMGEA-DLBZAZTESA-N 2 1 326.488 3.440 20 0 EGADMP Cc1ccc2nc([C@@H]3CCC[N@@H+](CC[C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC000420359427 309284103 /nfs/dbraw/zinc/28/41/03/309284103.db2.gz KMEQJFQRAHMGEA-DLBZAZTESA-N 2 1 326.488 3.440 20 0 EGADMP [NH3+]C[C@@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)C1CCCCC1 ZINC000420380624 309285279 /nfs/dbraw/zinc/28/52/79/309285279.db2.gz YKECCSMRLWTLPT-MRXNPFEDSA-N 2 1 341.858 3.305 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C[C@@H]1C[NH3+] ZINC000420417862 309287143 /nfs/dbraw/zinc/28/71/43/309287143.db2.gz WNDLCGZWHWZQCA-AEFFLSMTSA-N 2 1 334.467 3.418 20 0 EGADMP CC(C)[NH+](CCN(C)Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000420955972 309304125 /nfs/dbraw/zinc/30/41/25/309304125.db2.gz YQOWYOFNAKDYQY-UHFFFAOYSA-N 2 1 347.547 3.069 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C)cc3C)CC2)CC1 ZINC000420974410 309305341 /nfs/dbraw/zinc/30/53/41/309305341.db2.gz DOWPOWCQOOIWJE-UHFFFAOYSA-N 2 1 329.532 3.295 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCc3cccnc3CC1)C2 ZINC000421819602 309341294 /nfs/dbraw/zinc/34/12/94/309341294.db2.gz HYNFVCIPEYPULM-OAQYLSRUSA-N 2 1 335.495 3.367 20 0 EGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCc3cccnc3CC1)C2 ZINC000421819602 309341295 /nfs/dbraw/zinc/34/12/95/309341295.db2.gz HYNFVCIPEYPULM-OAQYLSRUSA-N 2 1 335.495 3.367 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C[C@@H]1C[NH3+] ZINC000422631147 309362951 /nfs/dbraw/zinc/36/29/51/309362951.db2.gz FBUYXVUWRVOQHI-HLIPFELVSA-N 2 1 343.515 3.118 20 0 EGADMP CCc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000422730823 309365595 /nfs/dbraw/zinc/36/55/95/309365595.db2.gz KLWMMURLPKHDJW-MHTWAQMVSA-N 2 1 329.532 3.362 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422734790 309365805 /nfs/dbraw/zinc/36/58/05/309365805.db2.gz CTQXHERYJJREQQ-NYVOZVTQSA-N 2 1 337.511 3.199 20 0 EGADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)C[C@H]2CCCCC[NH2+]2)[C@@H](C)C1 ZINC000422746371 309366325 /nfs/dbraw/zinc/36/63/25/309366325.db2.gz NTSRSXDQFNSSIK-NMLBUPMWSA-N 2 1 339.568 3.024 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)[C@@H](C)C1 ZINC000422746371 309366326 /nfs/dbraw/zinc/36/63/26/309366326.db2.gz NTSRSXDQFNSSIK-NMLBUPMWSA-N 3 1 339.568 3.024 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)[C@@H](C)C1 ZINC000422746371 309366327 /nfs/dbraw/zinc/36/63/27/309366327.db2.gz NTSRSXDQFNSSIK-NMLBUPMWSA-N 3 1 339.568 3.024 20 0 EGADMP OC[C@H](C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)Cc1ccc(F)cc1 ZINC000422752690 309366686 /nfs/dbraw/zinc/36/66/86/309366686.db2.gz FCXPINQDDXUHAQ-YYWHXJBOSA-N 2 1 342.458 3.060 20 0 EGADMP CCN(CC)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(OC)c1 ZINC000422788501 309368280 /nfs/dbraw/zinc/36/82/80/309368280.db2.gz AVFNAENFCRSIFZ-MISYRCLQSA-N 2 1 333.520 3.185 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])ccc1OCC(F)(F)F ZINC000422823892 309370264 /nfs/dbraw/zinc/37/02/64/309370264.db2.gz FJNGOSPWRSZAEK-ZIAGYGMSSA-N 2 1 346.393 3.386 20 0 EGADMP CCC(CC)(C[NH3+])NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422835449 309370848 /nfs/dbraw/zinc/37/08/48/309370848.db2.gz YNWFYXMIVNRGFI-MRXNPFEDSA-N 2 1 346.519 3.127 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422857143 309372300 /nfs/dbraw/zinc/37/23/00/309372300.db2.gz HAIAYTLUXOICKT-XVSDAANHSA-N 3 1 327.516 3.434 20 0 EGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422857143 309372301 /nfs/dbraw/zinc/37/23/01/309372301.db2.gz HAIAYTLUXOICKT-XVSDAANHSA-N 2 1 327.516 3.434 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422857143 309372302 /nfs/dbraw/zinc/37/23/02/309372302.db2.gz HAIAYTLUXOICKT-XVSDAANHSA-N 2 1 327.516 3.434 20 0 EGADMP CCCNC(=O)c1cccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000422893895 309374726 /nfs/dbraw/zinc/37/47/26/309374726.db2.gz RJHWAEUPONNBRT-QFBILLFUSA-N 2 1 331.504 3.227 20 0 EGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1cccc(OCC[NH+](C)C)c1 ZINC000422898122 309374953 /nfs/dbraw/zinc/37/49/53/309374953.db2.gz LFKDDBMLMFCUHZ-PKOBYXMFSA-N 2 1 333.520 3.027 20 0 EGADMP CCC(CC)[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N(C)C ZINC000422965680 309378791 /nfs/dbraw/zinc/37/87/91/309378791.db2.gz PJZOCPNQWHAYJN-IRFCIJBXSA-N 2 1 345.531 3.198 20 0 EGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000422965125 309378804 /nfs/dbraw/zinc/37/88/04/309378804.db2.gz NUFKNEKDAQYRLT-IERDGZPVSA-N 2 1 334.467 3.135 20 0 EGADMP C[C@@H](Cc1cc(Br)ccc1F)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423009490 309380773 /nfs/dbraw/zinc/38/07/73/309380773.db2.gz CYTHPLSZMDPUSO-PGUXBMHVSA-N 2 1 329.257 3.249 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCCc2ccccc21 ZINC000423019632 309381342 /nfs/dbraw/zinc/38/13/42/309381342.db2.gz WNAWJAHAWHEZLX-OYNPSCLESA-N 2 1 328.500 3.027 20 0 EGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000423049779 309383052 /nfs/dbraw/zinc/38/30/52/309383052.db2.gz KTTSPFPFTNGUEZ-SQGPQFPESA-N 2 1 340.398 3.105 20 0 EGADMP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000423058728 309383570 /nfs/dbraw/zinc/38/35/70/309383570.db2.gz KGXNGWOFZVGFLW-ALGQRKQJSA-N 2 1 328.500 3.145 20 0 EGADMP Fc1cc(-c2ccco2)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423087408 309385293 /nfs/dbraw/zinc/38/52/93/309385293.db2.gz POQPDMMBISMTAU-QXAKKESOSA-N 2 1 344.430 3.332 20 0 EGADMP Fc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)c1 ZINC000423093827 309385526 /nfs/dbraw/zinc/38/55/26/309385526.db2.gz IOOQLRGFMMMBSW-HKUYMTLNSA-N 2 1 332.463 3.209 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000423110148 309386454 /nfs/dbraw/zinc/38/64/54/309386454.db2.gz UQYQJGJHDGOYLH-AWEZNQCLSA-N 2 1 342.462 3.439 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])nnn1-c1ccc(Cl)cc1 ZINC000423270528 309393288 /nfs/dbraw/zinc/39/32/88/309393288.db2.gz GNUKLCYRPRAGEY-RVSPLBMKSA-N 2 1 347.894 3.397 20 0 EGADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000423320282 309394961 /nfs/dbraw/zinc/39/49/61/309394961.db2.gz DKEYQBIZFXEKBY-UWVAXJGDSA-N 2 1 343.515 3.065 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)c1 ZINC000423335630 309395810 /nfs/dbraw/zinc/39/58/10/309395810.db2.gz UBAKDUMWHUVGFO-YJBOKZPZSA-N 2 1 340.471 3.381 20 0 EGADMP C[C@H](c1c(F)cccc1F)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424297583 309437131 /nfs/dbraw/zinc/43/71/31/309437131.db2.gz SZMNIDKAAKJTTO-GFCCVEGCSA-N 2 1 332.398 3.163 20 0 EGADMP COCCSCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434687330 309717709 /nfs/dbraw/zinc/71/77/09/309717709.db2.gz DBZGWZKQLBGBQM-UHFFFAOYSA-N 2 1 337.533 3.169 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000448234799 310000758 /nfs/dbraw/zinc/00/07/58/310000758.db2.gz RHQHYAPRCJZNGE-UXPWSPDFSA-N 2 1 337.467 3.028 20 0 EGADMP C[C@@H](Cc1coc2ccccc12)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000449148245 310040421 /nfs/dbraw/zinc/04/04/21/310040421.db2.gz JHMPKWFAQJACPA-WMZOPIPTSA-N 2 1 330.472 3.190 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CCCC[C@H]3C)C2)CC1 ZINC000449512560 310068325 /nfs/dbraw/zinc/06/83/25/310068325.db2.gz ZYKRGKQZUYPADN-HLAWJBBLSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CCCC[C@H]3C)C2)CC1 ZINC000449512560 310068326 /nfs/dbraw/zinc/06/83/26/310068326.db2.gz ZYKRGKQZUYPADN-HLAWJBBLSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@H]3CCCC[C@H]3C)C2)CC1 ZINC000449512560 310068327 /nfs/dbraw/zinc/06/83/27/310068327.db2.gz ZYKRGKQZUYPADN-HLAWJBBLSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@H]3CCCC[C@H]3C)C2)CC1 ZINC000449512560 310068328 /nfs/dbraw/zinc/06/83/28/310068328.db2.gz ZYKRGKQZUYPADN-HLAWJBBLSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000450604626 310132718 /nfs/dbraw/zinc/13/27/18/310132718.db2.gz XBSQPYWZTPGWIL-FRTACKCFSA-N 2 1 328.500 3.100 20 0 EGADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000450604626 310132719 /nfs/dbraw/zinc/13/27/19/310132719.db2.gz XBSQPYWZTPGWIL-FRTACKCFSA-N 2 1 328.500 3.100 20 0 EGADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000450604626 310132720 /nfs/dbraw/zinc/13/27/20/310132720.db2.gz XBSQPYWZTPGWIL-FRTACKCFSA-N 2 1 328.500 3.100 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451302706 310170583 /nfs/dbraw/zinc/17/05/83/310170583.db2.gz FFFVBMFTTWZRMZ-INIZCTEOSA-N 2 1 341.377 3.314 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)CC1 ZINC000451411078 310176733 /nfs/dbraw/zinc/17/67/33/310176733.db2.gz UMUXVAMKDRUOLZ-JKSUJKDBSA-N 2 1 335.458 3.065 20 0 EGADMP C[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453075175 310256077 /nfs/dbraw/zinc/25/60/77/310256077.db2.gz GVMQGAXQWYJJAN-PWRODBHTSA-N 2 1 327.516 3.113 20 0 EGADMP CN1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453075175 310256078 /nfs/dbraw/zinc/25/60/78/310256078.db2.gz GVMQGAXQWYJJAN-PWRODBHTSA-N 2 1 327.516 3.113 20 0 EGADMP CN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453075175 310256079 /nfs/dbraw/zinc/25/60/79/310256079.db2.gz GVMQGAXQWYJJAN-PWRODBHTSA-N 2 1 327.516 3.113 20 0 EGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453200046 310263794 /nfs/dbraw/zinc/26/37/94/310263794.db2.gz UMLVSXFXZHISQE-SFTDATJTSA-N 2 1 328.500 3.312 20 0 EGADMP C[C@@H](Cc1cnccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000453213918 310264461 /nfs/dbraw/zinc/26/44/61/310264461.db2.gz MSAAUFPGFNDHEO-PXNSSMCTSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H](Cc1cnccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000453213918 310264462 /nfs/dbraw/zinc/26/44/62/310264462.db2.gz MSAAUFPGFNDHEO-PXNSSMCTSA-N 2 1 338.499 3.298 20 0 EGADMP FC(F)COCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453224227 310265147 /nfs/dbraw/zinc/26/51/47/310265147.db2.gz PSJBXLRZAKSEQH-RCCFBDPRSA-N 2 1 338.442 3.301 20 0 EGADMP C[C@@H](Cc1cnccn1)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000453256695 310267136 /nfs/dbraw/zinc/26/71/36/310267136.db2.gz QZBHMJVTKGHNIC-ICSRJNTNSA-N 2 1 338.499 3.300 20 0 EGADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000453407398 310275369 /nfs/dbraw/zinc/27/53/69/310275369.db2.gz PSWATEGABIYURY-SRHPJPHMSA-N 2 1 328.500 3.444 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cnn(Cc2ccccc2)c1 ZINC000453408261 310275585 /nfs/dbraw/zinc/27/55/85/310275585.db2.gz SRSHGTYIHNAUIM-QGZVFWFLSA-N 2 1 326.488 3.456 20 0 EGADMP CC(C)(C)CC[C@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463239381 310610432 /nfs/dbraw/zinc/61/04/32/310610432.db2.gz YNNLYFKITWVZSV-HXUWFJFHSA-N 2 1 332.532 3.470 20 0 EGADMP C[C@H](NCCC[NH+]1CCC(C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000480172652 310890544 /nfs/dbraw/zinc/89/05/44/310890544.db2.gz WXWLKCPNWKCREF-IBGZPJMESA-N 2 1 347.547 3.400 20 0 EGADMP CC[N@@H+](CCC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1)CC1CC1 ZINC000486950378 311003450 /nfs/dbraw/zinc/00/34/50/311003450.db2.gz LDAUYSDZHSNLGV-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1 ZINC000489360343 311102096 /nfs/dbraw/zinc/10/20/96/311102096.db2.gz YBAPHPDXVQSMNU-HXUWFJFHSA-N 2 1 345.531 3.331 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1 ZINC000489360343 311102098 /nfs/dbraw/zinc/10/20/98/311102098.db2.gz YBAPHPDXVQSMNU-HXUWFJFHSA-N 2 1 345.531 3.331 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000489926332 311125714 /nfs/dbraw/zinc/12/57/14/311125714.db2.gz BSMJCYLUVXJLJJ-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000489926332 311125716 /nfs/dbraw/zinc/12/57/16/311125716.db2.gz BSMJCYLUVXJLJJ-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000489926332 311125717 /nfs/dbraw/zinc/12/57/17/311125717.db2.gz BSMJCYLUVXJLJJ-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000489926332 311125718 /nfs/dbraw/zinc/12/57/18/311125718.db2.gz BSMJCYLUVXJLJJ-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCC1([NH+](C)C)CCCCCC1)c1ccccc1 ZINC000490208955 311135988 /nfs/dbraw/zinc/13/59/88/311135988.db2.gz FTMXPDKHMXOYBZ-LJQANCHMSA-N 2 1 345.531 3.450 20 0 EGADMP C[C@H](c1ccccn1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000493281324 311353441 /nfs/dbraw/zinc/35/34/41/311353441.db2.gz PAKALKMOHSDSOF-GOSISDBHSA-N 3 1 344.547 3.271 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC000506930493 312055842 /nfs/dbraw/zinc/05/58/42/312055842.db2.gz OUPWRRAYHYPPBS-UHFFFAOYSA-N 2 1 348.487 3.368 20 0 EGADMP CC(C)CCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512428622 312185052 /nfs/dbraw/zinc/18/50/52/312185052.db2.gz WVWFQUIIZOVUHA-OAQYLSRUSA-N 2 1 329.532 3.315 20 0 EGADMP CC(C)[N@@H+](C)CCN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512625250 312190553 /nfs/dbraw/zinc/19/05/53/312190553.db2.gz MMQHPPWQKMKLLG-PCCBWWKXSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[NH+](C)CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512625250 312190556 /nfs/dbraw/zinc/19/05/56/312190556.db2.gz MMQHPPWQKMKLLG-PCCBWWKXSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[NH+](C)CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512625250 312190558 /nfs/dbraw/zinc/19/05/58/312190558.db2.gz MMQHPPWQKMKLLG-PCCBWWKXSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)N(C)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512625250 312190560 /nfs/dbraw/zinc/19/05/60/312190560.db2.gz MMQHPPWQKMKLLG-PCCBWWKXSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)N(C)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512625250 312190564 /nfs/dbraw/zinc/19/05/64/312190564.db2.gz MMQHPPWQKMKLLG-PCCBWWKXSA-N 3 1 329.532 3.217 20 0 EGADMP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000512648719 312191277 /nfs/dbraw/zinc/19/12/77/312191277.db2.gz OTPMQOVUVNERCF-FNAHDJPLSA-N 2 1 341.543 3.361 20 0 EGADMP CC[N@@H+]1CCC[C@H](N[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000512648719 312191278 /nfs/dbraw/zinc/19/12/78/312191278.db2.gz OTPMQOVUVNERCF-FNAHDJPLSA-N 2 1 341.543 3.361 20 0 EGADMP CC[N@H+]1CCC[C@H](N[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000512648719 312191279 /nfs/dbraw/zinc/19/12/79/312191279.db2.gz OTPMQOVUVNERCF-FNAHDJPLSA-N 2 1 341.543 3.361 20 0 EGADMP CC[NH+]1CCC[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000512648719 312191280 /nfs/dbraw/zinc/19/12/80/312191280.db2.gz OTPMQOVUVNERCF-FNAHDJPLSA-N 2 1 341.543 3.361 20 0 EGADMP CC[NH+]1CCC[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000512648719 312191281 /nfs/dbraw/zinc/19/12/81/312191281.db2.gz OTPMQOVUVNERCF-FNAHDJPLSA-N 2 1 341.543 3.361 20 0 EGADMP CN(Cc1ccccc1)CC(C)(C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000513726438 312216352 /nfs/dbraw/zinc/21/63/52/312216352.db2.gz ZRQKVSWNQVAHAF-UHFFFAOYSA-N 2 1 331.548 3.418 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000513726438 312216353 /nfs/dbraw/zinc/21/63/53/312216353.db2.gz ZRQKVSWNQVAHAF-UHFFFAOYSA-N 3 1 331.548 3.418 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000513726438 312216355 /nfs/dbraw/zinc/21/63/55/312216355.db2.gz ZRQKVSWNQVAHAF-UHFFFAOYSA-N 3 1 331.548 3.418 20 0 EGADMP C[NH+](CC1CC[NH+](C)CC1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000513726438 312216357 /nfs/dbraw/zinc/21/63/57/312216357.db2.gz ZRQKVSWNQVAHAF-UHFFFAOYSA-N 3 1 331.548 3.418 20 0 EGADMP C[NH+](CC1CC[NH+](C)CC1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000513726438 312216358 /nfs/dbraw/zinc/21/63/58/312216358.db2.gz ZRQKVSWNQVAHAF-UHFFFAOYSA-N 3 1 331.548 3.418 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCC1([NH+](C)C)CCCCCC1)c1ccccc1 ZINC000516767567 312340743 /nfs/dbraw/zinc/34/07/43/312340743.db2.gz GRRJAYUCGCNPSN-SFHVURJKSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)=CCC[C@H](C)CC[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000516919445 312350622 /nfs/dbraw/zinc/35/06/22/312350622.db2.gz JYAIXXKGVUHCNO-IBGZPJMESA-N 2 1 349.563 3.245 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000528392580 313082520 /nfs/dbraw/zinc/08/25/20/313082520.db2.gz ULKOZKHIFXQSGY-AZUAARDMSA-N 2 1 334.479 3.191 20 0 EGADMP Cc1cc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cn2cc[nH+]c12 ZINC000529111079 313251510 /nfs/dbraw/zinc/25/15/10/313251510.db2.gz SEHGEJOPMFZJPE-QGZVFWFLSA-N 2 1 341.459 3.171 20 0 EGADMP Cc1cc(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cn2cc[nH+]c12 ZINC000529111079 313251512 /nfs/dbraw/zinc/25/15/12/313251512.db2.gz SEHGEJOPMFZJPE-QGZVFWFLSA-N 2 1 341.459 3.171 20 0 EGADMP COc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc(C(F)(F)F)c1 ZINC000529569641 313358375 /nfs/dbraw/zinc/35/83/75/313358375.db2.gz PBRVCGDUWCZUGT-WBMJQRKESA-N 2 1 330.394 3.486 20 0 EGADMP COc1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc(C(F)(F)F)c1 ZINC000529569641 313358376 /nfs/dbraw/zinc/35/83/76/313358376.db2.gz PBRVCGDUWCZUGT-WBMJQRKESA-N 2 1 330.394 3.486 20 0 EGADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc(C(F)(F)F)c1 ZINC000529569641 313358380 /nfs/dbraw/zinc/35/83/80/313358380.db2.gz PBRVCGDUWCZUGT-WBMJQRKESA-N 2 1 330.394 3.486 20 0 EGADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc(C(F)(F)F)c1 ZINC000529569641 313358385 /nfs/dbraw/zinc/35/83/85/313358385.db2.gz PBRVCGDUWCZUGT-WBMJQRKESA-N 2 1 330.394 3.486 20 0 EGADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc(C(F)(F)F)c1 ZINC000529569641 313358387 /nfs/dbraw/zinc/35/83/87/313358387.db2.gz PBRVCGDUWCZUGT-WBMJQRKESA-N 2 1 330.394 3.486 20 0 EGADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc(C(F)(F)F)c1 ZINC000529569641 313358392 /nfs/dbraw/zinc/35/83/92/313358392.db2.gz PBRVCGDUWCZUGT-WBMJQRKESA-N 2 1 330.394 3.486 20 0 EGADMP Cc1nc(CN2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)[nH]c1C ZINC000529641635 313376772 /nfs/dbraw/zinc/37/67/72/313376772.db2.gz OGLLAWCYANVDJF-IBGZPJMESA-N 2 1 326.488 3.369 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530407526 313532450 /nfs/dbraw/zinc/53/24/50/313532450.db2.gz UVAUZBQVJIWHTC-HNNXBMFYSA-N 2 1 328.460 3.093 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000530460200 313540330 /nfs/dbraw/zinc/54/03/30/313540330.db2.gz UPSNVEFLJTYUNZ-OAHLLOKOSA-N 2 1 325.334 3.138 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000536697459 314139911 /nfs/dbraw/zinc/13/99/11/314139911.db2.gz LUURPMULNBVXFB-UHFFFAOYSA-N 2 1 344.503 3.133 20 0 EGADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000536697459 314139913 /nfs/dbraw/zinc/13/99/13/314139913.db2.gz LUURPMULNBVXFB-UHFFFAOYSA-N 2 1 344.503 3.133 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000536697459 314139914 /nfs/dbraw/zinc/13/99/14/314139914.db2.gz LUURPMULNBVXFB-UHFFFAOYSA-N 2 1 344.503 3.133 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1(C)C ZINC000537288656 314172061 /nfs/dbraw/zinc/17/20/61/314172061.db2.gz LYIKZPNUOJPVSV-XUVXKRRUSA-N 2 1 330.516 3.344 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H](Nc2ccc3c(c2)[nH+]cn3C)[C@@H](C)C1 ZINC000538640949 314259884 /nfs/dbraw/zinc/25/98/84/314259884.db2.gz VOPOWZNGMXKVGQ-RDJZCZTQSA-N 2 1 330.476 3.122 20 0 EGADMP CCOCCC[N@H+]1CC[C@H](Nc2ccc3c(c2)[nH+]cn3C)[C@@H](C)C1 ZINC000538640949 314259887 /nfs/dbraw/zinc/25/98/87/314259887.db2.gz VOPOWZNGMXKVGQ-RDJZCZTQSA-N 2 1 330.476 3.122 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1)CC1CC1 ZINC000540050622 314360542 /nfs/dbraw/zinc/36/05/42/314360542.db2.gz WDNQXZSFPICHFF-QGZVFWFLSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1ccc([C@@H](CNc2cc[nH+]cc2Br)[NH+](C)C)cc1 ZINC000548480206 315014773 /nfs/dbraw/zinc/01/47/73/315014773.db2.gz YZAZGSQUEUFCEA-MRXNPFEDSA-N 2 1 334.261 3.289 20 0 EGADMP CO[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000550896054 315136880 /nfs/dbraw/zinc/13/68/80/315136880.db2.gz VWFYBAXYIUKDDB-DOIPELPJSA-N 2 1 328.500 3.302 20 0 EGADMP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000550896055 315137088 /nfs/dbraw/zinc/13/70/88/315137088.db2.gz VWFYBAXYIUKDDB-PLACYPQZSA-N 2 1 328.500 3.302 20 0 EGADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)ccn1 ZINC000550886326 315137333 /nfs/dbraw/zinc/13/73/33/315137333.db2.gz OLJJKXCNZHSSHL-HKUYNNGSSA-N 2 1 339.483 3.305 20 0 EGADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)ccn1 ZINC000550886326 315137335 /nfs/dbraw/zinc/13/73/35/315137335.db2.gz OLJJKXCNZHSSHL-HKUYNNGSSA-N 2 1 339.483 3.305 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000551210931 315145437 /nfs/dbraw/zinc/14/54/37/315145437.db2.gz CSCBRZRVVOAHMJ-QUCCMNQESA-N 2 1 332.488 3.064 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000552098653 315197865 /nfs/dbraw/zinc/19/78/65/315197865.db2.gz KQNYLTFASRUXID-TYPHKJRUSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CCC[C@H]1CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552098653 315197867 /nfs/dbraw/zinc/19/78/67/315197867.db2.gz KQNYLTFASRUXID-TYPHKJRUSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CCC[C@H]1CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000552098653 315197870 /nfs/dbraw/zinc/19/78/70/315197870.db2.gz KQNYLTFASRUXID-TYPHKJRUSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H](C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000554961068 315359666 /nfs/dbraw/zinc/35/96/66/315359666.db2.gz RSWQBDXCMVSHNU-AYWYSENESA-N 2 1 328.500 3.255 20 0 EGADMP C[C@@H]1C[C@H](C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000554961068 315359667 /nfs/dbraw/zinc/35/96/67/315359667.db2.gz RSWQBDXCMVSHNU-AYWYSENESA-N 2 1 328.500 3.255 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000555232922 315374481 /nfs/dbraw/zinc/37/44/81/315374481.db2.gz PUQVHSGVFNXXBT-LXZJYRNTSA-N 2 1 340.552 3.307 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](COC)C(C)C)CC2)cs1 ZINC000161789261 454724416 /nfs/dbraw/zinc/72/44/16/454724416.db2.gz CCOXAJIWGQIAFQ-KRWDZBQOSA-N 2 1 339.549 3.178 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000563506618 316030813 /nfs/dbraw/zinc/03/08/13/316030813.db2.gz SSSWOMGCZBZBJE-LJQANCHMSA-N 2 1 342.487 3.208 20 0 EGADMP CCn1ccnc1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000563622324 316047921 /nfs/dbraw/zinc/04/79/21/316047921.db2.gz DCPIUQVHNMEZNA-RTBURBONSA-N 2 1 326.488 3.075 20 0 EGADMP CCn1ccnc1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000563622324 316047925 /nfs/dbraw/zinc/04/79/25/316047925.db2.gz DCPIUQVHNMEZNA-RTBURBONSA-N 2 1 326.488 3.075 20 0 EGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000563894123 316086657 /nfs/dbraw/zinc/08/66/57/316086657.db2.gz GZXFAUJUPZFQCX-HXUWFJFHSA-N 2 1 339.483 3.434 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000565242568 316298223 /nfs/dbraw/zinc/29/82/23/316298223.db2.gz GFCNNOJEDIAJLI-NEPJUHHUSA-N 2 1 337.265 3.336 20 0 EGADMP Cn1cc([C@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)CC2(C)C)cn1 ZINC000565930261 316389107 /nfs/dbraw/zinc/38/91/07/316389107.db2.gz LKXIKAWAWGEIAR-LJQANCHMSA-N 2 1 335.455 3.231 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000570642519 317086121 /nfs/dbraw/zinc/08/61/21/317086121.db2.gz VMLMYQFQSDTQBG-UKPHBRMFSA-N 2 1 344.421 3.244 20 0 EGADMP C[C@H](C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)[NH+]1CC(C)C1 ZINC000571175839 317162392 /nfs/dbraw/zinc/16/23/92/317162392.db2.gz JUPDTXIMURILAR-GOSISDBHSA-N 2 1 343.515 3.240 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]CC3(O)CCC(C)CC3)CC2)oc1C ZINC000571993392 317276064 /nfs/dbraw/zinc/27/60/64/317276064.db2.gz BIFWUPOTZKZZNW-UHFFFAOYSA-N 2 1 349.519 3.034 20 0 EGADMP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CCc2c[nH+]cn2C)cc1F ZINC000573055891 317428924 /nfs/dbraw/zinc/42/89/24/317428924.db2.gz XMLGWXLFNUYWBJ-SJLPKXTDSA-N 2 1 331.435 3.426 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000573370160 317475792 /nfs/dbraw/zinc/47/57/92/317475792.db2.gz WHOYWRRRNDDKJV-LSDHHAIUSA-N 2 1 343.475 3.302 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000284358726 455674165 /nfs/dbraw/zinc/67/41/65/455674165.db2.gz DHNFSJGQPOXFOR-OAHLLOKOSA-N 2 1 335.249 3.090 20 0 EGADMP CC(C)[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000178879310 323361442 /nfs/dbraw/zinc/36/14/42/323361442.db2.gz QOKCGGIMPKSWJT-WDSOQIARSA-N 2 1 337.552 3.074 20 0 EGADMP CCC[C@H](C(=O)OCC)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179393579 323385615 /nfs/dbraw/zinc/38/56/15/323385615.db2.gz PYRDRZYHSODVLG-LJQANCHMSA-N 2 1 347.503 3.352 20 0 EGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000382731086 324252764 /nfs/dbraw/zinc/25/27/64/324252764.db2.gz BAKFVUDVFUGJOX-MJGOQNOKSA-N 2 1 345.531 3.134 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000382766631 324254277 /nfs/dbraw/zinc/25/42/77/324254277.db2.gz VUMUYMBLXPALAL-PKOBYXMFSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H]([NH2+]Cc1cccc2c1OCO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000385661653 324263761 /nfs/dbraw/zinc/26/37/61/324263761.db2.gz CGVQXMPUVPKREL-QFBILLFUSA-N 2 1 338.451 3.416 20 0 EGADMP C[C@H]([NH2+]Cc1cccc2c1OCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000385661653 324263763 /nfs/dbraw/zinc/26/37/63/324263763.db2.gz CGVQXMPUVPKREL-QFBILLFUSA-N 2 1 338.451 3.416 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC[C@H]1CCCC[NH+]1C ZINC000397985290 324294757 /nfs/dbraw/zinc/29/47/57/324294757.db2.gz ODTYVCMIDANMRG-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCC[C@H]1CCCC[N@@H+]1C ZINC000397985290 324294761 /nfs/dbraw/zinc/29/47/61/324294761.db2.gz ODTYVCMIDANMRG-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCC[C@H]1CCCC[N@H+]1C ZINC000397985290 324294765 /nfs/dbraw/zinc/29/47/65/324294765.db2.gz ODTYVCMIDANMRG-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000579254486 325085432 /nfs/dbraw/zinc/08/54/32/325085432.db2.gz KZBAOYYEGZAREC-YLJYHZDGSA-N 2 1 326.484 3.109 20 0 EGADMP C[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000579372560 325101430 /nfs/dbraw/zinc/10/14/30/325101430.db2.gz QIMMOEZBDACJMY-CZUORRHYSA-N 2 1 339.911 3.035 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)CC3 ZINC000580545612 325264885 /nfs/dbraw/zinc/26/48/85/325264885.db2.gz KRXHIEFXKFZNEJ-CVEARBPZSA-N 2 1 341.499 3.354 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000580644429 325278008 /nfs/dbraw/zinc/27/80/08/325278008.db2.gz QFJFKVPUNCYAIJ-PKOBYXMFSA-N 2 1 345.531 3.341 20 0 EGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000580873903 325303706 /nfs/dbraw/zinc/30/37/06/325303706.db2.gz SWYZHGSWEKJEFM-PIKOESSRSA-N 2 1 334.504 3.242 20 0 EGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000580873903 325303707 /nfs/dbraw/zinc/30/37/07/325303707.db2.gz SWYZHGSWEKJEFM-PIKOESSRSA-N 2 1 334.504 3.242 20 0 EGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000580873902 325303762 /nfs/dbraw/zinc/30/37/62/325303762.db2.gz SWYZHGSWEKJEFM-LCLWPZTBSA-N 2 1 334.504 3.242 20 0 EGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000580873902 325303765 /nfs/dbraw/zinc/30/37/65/325303765.db2.gz SWYZHGSWEKJEFM-LCLWPZTBSA-N 2 1 334.504 3.242 20 0 EGADMP Cc1sc2[nH]c([C@@H](C)[NH+]3CCC(CC[NH3+])CC3)nc(=O)c2c1C ZINC000580956182 325313978 /nfs/dbraw/zinc/31/39/78/325313978.db2.gz YIHOPZMAHJXUOO-LLVKDONJSA-N 2 1 334.489 3.136 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000581009654 325320807 /nfs/dbraw/zinc/32/08/07/325320807.db2.gz ZIFHSOHLJDQEIC-VQIMIIECSA-N 2 1 331.504 3.051 20 0 EGADMP C[C@H]([NH2+]C1(CNC(=O)[C@H](C)[NH+]2CC(C)C2)CCCC1)c1ccccc1 ZINC000581616455 325376937 /nfs/dbraw/zinc/37/69/37/325376937.db2.gz NBFBLNZQFGSVSO-ROUUACIJSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](CN[C@H]2C[C@@H](C)C[NH+](Cc3ccccc3)C2)C1 ZINC000581694588 325383075 /nfs/dbraw/zinc/38/30/75/325383075.db2.gz YHMYHFQLKCMTQW-GIVPXCGWSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@@H](CN[C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC000581694588 325383077 /nfs/dbraw/zinc/38/30/77/325383077.db2.gz YHMYHFQLKCMTQW-GIVPXCGWSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@@H](CN[C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC000581694588 325383078 /nfs/dbraw/zinc/38/30/78/325383078.db2.gz YHMYHFQLKCMTQW-GIVPXCGWSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2C[C@@H](C)CN(Cc3ccccc3)C2)C1 ZINC000581694588 325383079 /nfs/dbraw/zinc/38/30/79/325383079.db2.gz YHMYHFQLKCMTQW-GIVPXCGWSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@@H](C)CN(Cc3ccccc3)C2)C1 ZINC000581694588 325383081 /nfs/dbraw/zinc/38/30/81/325383081.db2.gz YHMYHFQLKCMTQW-GIVPXCGWSA-N 2 1 329.532 3.217 20 0 EGADMP CC[NH+](CC)[C@@H](CNc1cc[nH+]cc1Br)c1ccco1 ZINC000341928225 457006826 /nfs/dbraw/zinc/00/68/26/457006826.db2.gz KAUFDSJZRXKLTP-AWEZNQCLSA-N 2 1 338.249 3.354 20 0 EGADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000180704126 455231062 /nfs/dbraw/zinc/23/10/62/455231062.db2.gz QDBPTIXCSRHASP-KRWDZBQOSA-N 2 1 346.515 3.403 20 0 EGADMP CCOCc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1OC ZINC000180731199 455235369 /nfs/dbraw/zinc/23/53/69/455235369.db2.gz JVWZFFQPCGCENW-IEBWSBKVSA-N 2 1 332.488 3.148 20 0 EGADMP CCOCc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1OC ZINC000180731199 455235374 /nfs/dbraw/zinc/23/53/74/455235374.db2.gz JVWZFFQPCGCENW-IEBWSBKVSA-N 2 1 332.488 3.148 20 0 EGADMP CCOCc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OC ZINC000180731199 455235379 /nfs/dbraw/zinc/23/53/79/455235379.db2.gz JVWZFFQPCGCENW-IEBWSBKVSA-N 2 1 332.488 3.148 20 0 EGADMP CCOCc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1OC ZINC000180731199 455235383 /nfs/dbraw/zinc/23/53/83/455235383.db2.gz JVWZFFQPCGCENW-IEBWSBKVSA-N 2 1 332.488 3.148 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000157898828 455246668 /nfs/dbraw/zinc/24/66/68/455246668.db2.gz WJLOGHPXZAICGQ-IBGZPJMESA-N 2 1 344.547 3.290 20 0 EGADMP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CC(=O)OC(C)(C)C ZINC000595094695 459243184 /nfs/dbraw/zinc/24/31/84/459243184.db2.gz HHWJTQNKWJYDSU-IXDOHACOSA-N 2 1 326.525 3.453 20 0 EGADMP COc1cccc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)n1 ZINC000189949613 455259340 /nfs/dbraw/zinc/25/93/40/455259340.db2.gz RMFMDJJJBLQPRU-IAGOWNOFSA-N 2 1 339.483 3.336 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000173319559 455265022 /nfs/dbraw/zinc/26/50/22/455265022.db2.gz SNKLEQYVKPHRMF-HNNXBMFYSA-N 2 1 325.447 3.033 20 0 EGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631845873 460579899 /nfs/dbraw/zinc/57/98/99/460579899.db2.gz MXBHYJVRSNJIKW-KBXCAEBGSA-N 2 1 327.476 3.042 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCSCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000600778206 460599738 /nfs/dbraw/zinc/59/97/38/460599738.db2.gz WRLBVNRJGXODSE-HUUCEWRRSA-N 2 1 332.435 3.379 20 0 EGADMP Cc1ncc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000081292646 453856621 /nfs/dbraw/zinc/85/66/21/453856621.db2.gz AGRNICYSIGHJCX-QGZVFWFLSA-N 2 1 326.488 3.392 20 0 EGADMP COc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040622489 453952798 /nfs/dbraw/zinc/95/27/98/453952798.db2.gz LFVNIUKGDOFLPZ-ZDUSSCGKSA-N 2 1 341.293 3.278 20 0 EGADMP COc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040622489 453952802 /nfs/dbraw/zinc/95/28/02/453952802.db2.gz LFVNIUKGDOFLPZ-ZDUSSCGKSA-N 2 1 341.293 3.278 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000084544263 453996933 /nfs/dbraw/zinc/99/69/33/453996933.db2.gz KEPAMRZRJMWBLA-UHFFFAOYSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(F)cc3F)CC2)C[C@H](C)O1 ZINC000084862062 454013019 /nfs/dbraw/zinc/01/30/19/454013019.db2.gz DHSFWVWTLSKGGN-GJZGRUSLSA-N 2 1 338.442 3.286 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@H]2c2ccco2)CC1 ZINC000076803596 454038793 /nfs/dbraw/zinc/03/87/93/454038793.db2.gz CHGUIJHZJGCOHH-SFHVURJKSA-N 2 1 347.503 3.186 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@H]2c2ccco2)CC1 ZINC000076803596 454038796 /nfs/dbraw/zinc/03/87/96/454038796.db2.gz CHGUIJHZJGCOHH-SFHVURJKSA-N 2 1 347.503 3.186 20 0 EGADMP C[C@H](C[NH2+]Cc1ccccc1OCc1cccnc1)C[NH+]1CCCC1 ZINC000069752098 454141365 /nfs/dbraw/zinc/14/13/65/454141365.db2.gz NNGUWPFKFLMQTH-GOSISDBHSA-N 2 1 339.483 3.482 20 0 EGADMP CC(C)CCOCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000119538836 454202204 /nfs/dbraw/zinc/20/22/04/454202204.db2.gz QVRRECMLPFHOEE-UHFFFAOYSA-N 2 1 336.495 3.485 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000119672638 454212377 /nfs/dbraw/zinc/21/23/77/454212377.db2.gz INMHAHNOFVLWGT-RMVXJAJNSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000119672638 454212378 /nfs/dbraw/zinc/21/23/78/454212378.db2.gz INMHAHNOFVLWGT-RMVXJAJNSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000119672638 454212380 /nfs/dbraw/zinc/21/23/80/454212380.db2.gz INMHAHNOFVLWGT-RMVXJAJNSA-N 2 1 329.532 3.359 20 0 EGADMP C[N@@H+](Cc1ccccc1C[NH2+][C@H]1CCNC(=O)CC1)C1CCCCC1 ZINC000634954919 460628727 /nfs/dbraw/zinc/62/87/27/460628727.db2.gz RFLQUWGIQSRGRR-LJQANCHMSA-N 2 1 343.515 3.209 20 0 EGADMP C[C@H](c1cnccn1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000184709343 455433211 /nfs/dbraw/zinc/43/32/11/455433211.db2.gz NALPIJKRHDUEMN-MRXNPFEDSA-N 2 1 325.460 3.171 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000090450652 454307636 /nfs/dbraw/zinc/30/76/36/454307636.db2.gz XNUHHIONULKYPX-GYSYKLTISA-N 2 1 332.275 3.086 20 0 EGADMP FC(F)(F)COCc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090716007 454338180 /nfs/dbraw/zinc/33/81/80/454338180.db2.gz KBMAPMXTAQZUSM-DLBZAZTESA-N 2 1 342.405 3.482 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000132615326 454352062 /nfs/dbraw/zinc/35/20/62/454352062.db2.gz RLAUCVCCXMIKGR-GOSISDBHSA-N 2 1 345.531 3.278 20 0 EGADMP COc1ccccc1[C@@H](CNc1cc(C)[nH+]c(C)n1)[NH+]1CCCC1 ZINC000079021292 454356853 /nfs/dbraw/zinc/35/68/53/454356853.db2.gz YVMHGAWCOBUIQE-QGZVFWFLSA-N 2 1 326.444 3.351 20 0 EGADMP CC(C)CNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000079303725 454394663 /nfs/dbraw/zinc/39/46/63/454394663.db2.gz FIKNLFDROBTZPV-ROUUACIJSA-N 2 1 345.531 3.169 20 0 EGADMP O=C(CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1 ZINC000101586541 454476057 /nfs/dbraw/zinc/47/60/57/454476057.db2.gz UBRAVYRIJGEVAO-UHFFFAOYSA-N 2 1 337.467 3.269 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCS[C@@H]2COCC[C@@H]21 ZINC000091856320 454481376 /nfs/dbraw/zinc/48/13/76/454481376.db2.gz HJAPJWBWUJWWCB-RBUKOAKNSA-N 2 1 348.556 3.351 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCS[C@@H]2COCC[C@@H]21 ZINC000091856320 454481386 /nfs/dbraw/zinc/48/13/86/454481386.db2.gz HJAPJWBWUJWWCB-RBUKOAKNSA-N 2 1 348.556 3.351 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000091856320 454481389 /nfs/dbraw/zinc/48/13/89/454481389.db2.gz HJAPJWBWUJWWCB-RBUKOAKNSA-N 2 1 348.556 3.351 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000091856320 454481395 /nfs/dbraw/zinc/48/13/95/454481395.db2.gz HJAPJWBWUJWWCB-RBUKOAKNSA-N 2 1 348.556 3.351 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000074227594 454547516 /nfs/dbraw/zinc/54/75/16/454547516.db2.gz IENHFLYVIBROSJ-IRXDYDNUSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000074249223 454550170 /nfs/dbraw/zinc/55/01/70/454550170.db2.gz AQSGCSGQFMDEDK-UHFFFAOYSA-N 2 1 346.519 3.121 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1)C1CC1 ZINC000122701223 454560436 /nfs/dbraw/zinc/56/04/36/454560436.db2.gz ACNZFMKVMFGCAW-OXQOHEQNSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1)C1CC1 ZINC000122701223 454560439 /nfs/dbraw/zinc/56/04/39/454560439.db2.gz ACNZFMKVMFGCAW-OXQOHEQNSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1)C1CC1 ZINC000122701223 454560444 /nfs/dbraw/zinc/56/04/44/454560444.db2.gz ACNZFMKVMFGCAW-OXQOHEQNSA-N 2 1 343.515 3.226 20 0 EGADMP CC[C@]1(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000134564088 454560896 /nfs/dbraw/zinc/56/08/96/454560896.db2.gz SZTBZQQOSYLOGX-LAUBAEHRSA-N 2 1 343.515 3.067 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000104857661 454608047 /nfs/dbraw/zinc/60/80/47/454608047.db2.gz RZWYBHGWUMHYJB-QFBILLFUSA-N 2 1 342.487 3.027 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)s1 ZINC000092739877 454622320 /nfs/dbraw/zinc/62/23/20/454622320.db2.gz XAPBADOEBJDMEP-KBPBESRZSA-N 2 1 325.522 3.023 20 0 EGADMP CCC[C@@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000051686402 454635108 /nfs/dbraw/zinc/63/51/08/454635108.db2.gz SGMNFOFQGIFBHV-GOSISDBHSA-N 2 1 345.531 3.196 20 0 EGADMP CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000106458554 454695775 /nfs/dbraw/zinc/69/57/75/454695775.db2.gz JFZVZGFECZYVRV-FXAWDEMLSA-N 2 1 345.531 3.121 20 0 EGADMP C[C@H]1CC[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2ccccc21 ZINC000124488050 454739488 /nfs/dbraw/zinc/73/94/88/454739488.db2.gz XXPVMCGWWGOBJW-UWJYYQICSA-N 2 1 329.532 3.488 20 0 EGADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1OC ZINC000124514120 454742761 /nfs/dbraw/zinc/74/27/61/454742761.db2.gz SSGDVDLCNRBKQK-LJQANCHMSA-N 2 1 333.520 3.010 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000162157768 454754986 /nfs/dbraw/zinc/75/49/86/454754986.db2.gz JOBACSXZRVFHJN-GOSISDBHSA-N 2 1 345.531 3.196 20 0 EGADMP Cc1cc2oc(=O)cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c2cc1C ZINC000139902371 454812699 /nfs/dbraw/zinc/81/26/99/454812699.db2.gz ANKPCWCBGZRWER-VQIMIIECSA-N 2 1 340.467 3.326 20 0 EGADMP Cc1cc2oc(=O)cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2cc1C ZINC000139902371 454812705 /nfs/dbraw/zinc/81/27/05/454812705.db2.gz ANKPCWCBGZRWER-VQIMIIECSA-N 2 1 340.467 3.326 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)c2cc1C ZINC000139902371 454812708 /nfs/dbraw/zinc/81/27/08/454812708.db2.gz ANKPCWCBGZRWER-VQIMIIECSA-N 2 1 340.467 3.326 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)c2cc1C ZINC000139902371 454812714 /nfs/dbraw/zinc/81/27/14/454812714.db2.gz ANKPCWCBGZRWER-VQIMIIECSA-N 2 1 340.467 3.326 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000139939066 454814054 /nfs/dbraw/zinc/81/40/54/454814054.db2.gz INRJYRZTVGNXNS-RDJZCZTQSA-N 2 1 347.528 3.153 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000139939066 454814057 /nfs/dbraw/zinc/81/40/57/454814057.db2.gz INRJYRZTVGNXNS-RDJZCZTQSA-N 2 1 347.528 3.153 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000139939066 454814060 /nfs/dbraw/zinc/81/40/60/454814060.db2.gz INRJYRZTVGNXNS-RDJZCZTQSA-N 2 1 347.528 3.153 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000266861967 455465275 /nfs/dbraw/zinc/46/52/75/455465275.db2.gz VAMXGHYYKVMANW-ZWKOTPCHSA-N 2 1 333.520 3.134 20 0 EGADMP COc1ccc(Oc2cc(C[NH2+][C@H]3CC[N@H+](C)C[C@H]3C)ccn2)cc1 ZINC000163456580 454848049 /nfs/dbraw/zinc/84/80/49/454848049.db2.gz UADSVWQZKPYAEU-BEFAXECRSA-N 2 1 341.455 3.312 20 0 EGADMP COc1ccc(Oc2cc(C[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)ccn2)cc1 ZINC000163456580 454848051 /nfs/dbraw/zinc/84/80/51/454848051.db2.gz UADSVWQZKPYAEU-BEFAXECRSA-N 2 1 341.455 3.312 20 0 EGADMP CC(C)N1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1=O ZINC000177426410 454862626 /nfs/dbraw/zinc/86/26/26/454862626.db2.gz UMZRCUQXOXPFLX-FXAWDEMLSA-N 2 1 343.515 3.017 20 0 EGADMP CC(C)C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000154274083 454880303 /nfs/dbraw/zinc/88/03/03/454880303.db2.gz QIMXLPVYPPJXGR-CVEARBPZSA-N 2 1 332.410 3.305 20 0 EGADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000154354636 454888355 /nfs/dbraw/zinc/88/83/55/454888355.db2.gz JFCCXJGZHTUQGS-MOPGFXCFSA-N 2 1 332.875 3.136 20 0 EGADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000154364766 454889210 /nfs/dbraw/zinc/88/92/10/454889210.db2.gz MCFKZRQIXJEFJE-CQSZACIVSA-N 2 1 327.875 3.157 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cncc(F)c1 ZINC000165328690 454899060 /nfs/dbraw/zinc/89/90/60/454899060.db2.gz FCCTXAKAUFOTDA-AEFFLSMTSA-N 2 1 327.447 3.436 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cncc(F)c1 ZINC000165328690 454899064 /nfs/dbraw/zinc/89/90/64/454899064.db2.gz FCCTXAKAUFOTDA-AEFFLSMTSA-N 2 1 327.447 3.436 20 0 EGADMP c1ccc(-c2noc(CCC[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)n2)cc1 ZINC000150838234 454899436 /nfs/dbraw/zinc/89/94/36/454899436.db2.gz LZEVHZBLQVHZPT-KRWDZBQOSA-N 2 1 340.471 3.087 20 0 EGADMP c1ccc(-c2noc(CCC[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)n2)cc1 ZINC000150838234 454899439 /nfs/dbraw/zinc/89/94/39/454899439.db2.gz LZEVHZBLQVHZPT-KRWDZBQOSA-N 2 1 340.471 3.087 20 0 EGADMP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000165652645 454902094 /nfs/dbraw/zinc/90/20/94/454902094.db2.gz GKIOCUSPAMWKGR-IHWFROFDSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000154551799 454906749 /nfs/dbraw/zinc/90/67/49/454906749.db2.gz UCUJPLZFFGERBJ-JXFKEZNVSA-N 2 1 333.495 3.066 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000166368752 454911001 /nfs/dbraw/zinc/91/10/01/454911001.db2.gz RLNOAHLPZKLDQV-OALUTQOASA-N 2 1 331.504 3.237 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)C(C)C)cc1)C1CC1 ZINC000151917186 455048169 /nfs/dbraw/zinc/04/81/69/455048169.db2.gz AASWDOGEYHLKML-UHFFFAOYSA-N 2 1 331.504 3.083 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623655339 460661420 /nfs/dbraw/zinc/66/14/20/460661420.db2.gz VEOREBSQKXQCNW-FQEVSTJZSA-N 2 1 340.515 3.370 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623655339 460661422 /nfs/dbraw/zinc/66/14/22/460661422.db2.gz VEOREBSQKXQCNW-FQEVSTJZSA-N 2 1 340.515 3.370 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000171767829 455093162 /nfs/dbraw/zinc/09/31/62/455093162.db2.gz ISROFBNGOHGMDA-UHFFFAOYSA-N 2 1 345.462 3.203 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000129014500 455094365 /nfs/dbraw/zinc/09/43/65/455094365.db2.gz JMOSZNKAVUMZRV-CTWPCTMYSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000156418634 455116111 /nfs/dbraw/zinc/11/61/11/455116111.db2.gz DTBAFVXAXYMFBB-KEYYUXOJSA-N 2 1 346.862 3.447 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000156418634 455116115 /nfs/dbraw/zinc/11/61/15/455116115.db2.gz DTBAFVXAXYMFBB-KEYYUXOJSA-N 2 1 346.862 3.447 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623655904 460663138 /nfs/dbraw/zinc/66/31/38/460663138.db2.gz IIZITFZLDODFFZ-QGZVFWFLSA-N 2 1 344.478 3.450 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623655904 460663140 /nfs/dbraw/zinc/66/31/40/460663140.db2.gz IIZITFZLDODFFZ-QGZVFWFLSA-N 2 1 344.478 3.450 20 0 EGADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000156457106 455120414 /nfs/dbraw/zinc/12/04/14/455120414.db2.gz TVJXZACDLMVNLK-LZLYRXPVSA-N 2 1 335.923 3.405 20 0 EGADMP CCN(Cc1ccnn1CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180100189 455132227 /nfs/dbraw/zinc/13/22/27/455132227.db2.gz GLTUSVGVDXKJBH-IBGZPJMESA-N 2 1 326.488 3.247 20 0 EGADMP C[C@H]1CCC[N@@H+](CCNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000156679093 455144231 /nfs/dbraw/zinc/14/42/31/455144231.db2.gz OVXJRCWOSHHAQI-SFHVURJKSA-N 2 1 347.522 3.154 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+]CCOCc3ccccc3)CC2)cc1 ZINC000156926726 455157249 /nfs/dbraw/zinc/15/72/49/455157249.db2.gz JHOAMSWPPZUOPH-UHFFFAOYSA-N 2 1 338.495 3.500 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCCC1 ZINC000156956790 455158508 /nfs/dbraw/zinc/15/85/08/455158508.db2.gz DEGUYTDEWZHXBX-JXFKEZNVSA-N 2 1 343.515 3.052 20 0 EGADMP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182819684 455171254 /nfs/dbraw/zinc/17/12/54/455171254.db2.gz YMBIELGZOCBPMS-VQIMIIECSA-N 2 1 343.515 3.131 20 0 EGADMP C[C@H](CCNC(=O)C[C@H]([NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000237456850 455185680 /nfs/dbraw/zinc/18/56/80/455185680.db2.gz WICURCQDJAYDAO-XLIONFOSSA-N 2 1 339.483 3.103 20 0 EGADMP C[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000237538598 455193006 /nfs/dbraw/zinc/19/30/06/455193006.db2.gz BHYUEASTMJZXII-FXAWDEMLSA-N 2 1 339.483 3.103 20 0 EGADMP CC(C)OC1CC([NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000189528192 455214296 /nfs/dbraw/zinc/21/42/96/455214296.db2.gz BMMLTQBZPDBUCW-AGXSTUJCSA-N 2 1 346.515 3.341 20 0 EGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000183052121 455217202 /nfs/dbraw/zinc/21/72/02/455217202.db2.gz YXNLTVJVEXMDMX-ICSRJNTNSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccncc1 ZINC000245513493 455318444 /nfs/dbraw/zinc/31/84/44/455318444.db2.gz CRQPEBZGWMFMSP-DLBZAZTESA-N 2 1 325.456 3.153 20 0 EGADMP C[C@H](c1ccccn1)[NH+](C)CCOCC[N@H+](C)[C@H](C)c1ccccn1 ZINC000245545257 455326257 /nfs/dbraw/zinc/32/62/57/455326257.db2.gz TTZLDAFHGWADDU-QZTJIDSGSA-N 2 1 342.487 3.179 20 0 EGADMP Cc1cc(C)n(CC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000265658805 455357723 /nfs/dbraw/zinc/35/77/23/455357723.db2.gz RLNRKGSSNBWLJC-NQIIRXRSSA-N 2 1 340.515 3.485 20 0 EGADMP Cc1cc(C)n(CC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000265658805 455357727 /nfs/dbraw/zinc/35/77/27/455357727.db2.gz RLNRKGSSNBWLJC-NQIIRXRSSA-N 2 1 340.515 3.485 20 0 EGADMP Cc1cc(C)n(CC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000265658805 455357730 /nfs/dbraw/zinc/35/77/30/455357730.db2.gz RLNRKGSSNBWLJC-NQIIRXRSSA-N 2 1 340.515 3.485 20 0 EGADMP Cc1cc(C)n(CC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000265658805 455357732 /nfs/dbraw/zinc/35/77/32/455357732.db2.gz RLNRKGSSNBWLJC-NQIIRXRSSA-N 2 1 340.515 3.485 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)CCC2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000245763445 455374850 /nfs/dbraw/zinc/37/48/50/455374850.db2.gz QMGBDIIWSGXTGR-APWZRJJASA-N 2 1 349.544 3.027 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)cn1 ZINC000185202225 455520685 /nfs/dbraw/zinc/52/06/85/455520685.db2.gz ZEMDRBIHFUVDPU-IAGOWNOFSA-N 2 1 328.460 3.257 20 0 EGADMP C[C@H]1C[C@@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000185224197 455524384 /nfs/dbraw/zinc/52/43/84/455524384.db2.gz HYAPXBDFQNUGCR-SCWSEQNSSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]1C[C@@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)C[N@H+]1C1CC1 ZINC000185224197 455524388 /nfs/dbraw/zinc/52/43/88/455524388.db2.gz HYAPXBDFQNUGCR-SCWSEQNSSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]1C[C@@H](NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000185224197 455524392 /nfs/dbraw/zinc/52/43/92/455524392.db2.gz HYAPXBDFQNUGCR-SCWSEQNSSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]1C[C@@H](NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000185224197 455524395 /nfs/dbraw/zinc/52/43/95/455524395.db2.gz HYAPXBDFQNUGCR-SCWSEQNSSA-N 2 1 327.516 3.112 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000246837370 455529211 /nfs/dbraw/zinc/52/92/11/455529211.db2.gz ASRVLQUWJNMUQD-JBACZVJFSA-N 2 1 329.532 3.452 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3C)CCOCC2)[C@@H](C)C1 ZINC000246874003 455532329 /nfs/dbraw/zinc/53/23/29/455532329.db2.gz DPZMTJUVWRMTIK-AZUAARDMSA-N 2 1 330.516 3.363 20 0 EGADMP CCCC[NH+]1CCC(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000246967721 455539578 /nfs/dbraw/zinc/53/95/78/455539578.db2.gz JEBDHTDTLFRGHW-NQIIRXRSSA-N 2 1 329.532 3.361 20 0 EGADMP CCCC[NH+]1CCC([NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000246967721 455539581 /nfs/dbraw/zinc/53/95/81/455539581.db2.gz JEBDHTDTLFRGHW-NQIIRXRSSA-N 2 1 329.532 3.361 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000247048239 455551128 /nfs/dbraw/zinc/55/11/28/455551128.db2.gz OQJYKTFEIDYEPH-MBOZVWFJSA-N 3 1 332.536 3.460 20 0 EGADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000192101236 455557514 /nfs/dbraw/zinc/55/75/14/455557514.db2.gz SWTRSGKOWROQPV-HZPDHXFCSA-N 2 1 331.504 3.051 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247115915 455561750 /nfs/dbraw/zinc/56/17/50/455561750.db2.gz AGOLLZQMUDGETH-ZCNNSNEGSA-N 2 1 343.515 3.012 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247115915 455561753 /nfs/dbraw/zinc/56/17/53/455561753.db2.gz AGOLLZQMUDGETH-ZCNNSNEGSA-N 2 1 343.515 3.012 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247115915 455561755 /nfs/dbraw/zinc/56/17/55/455561755.db2.gz AGOLLZQMUDGETH-ZCNNSNEGSA-N 2 1 343.515 3.012 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247115915 455561758 /nfs/dbraw/zinc/56/17/58/455561758.db2.gz AGOLLZQMUDGETH-ZCNNSNEGSA-N 2 1 343.515 3.012 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247115915 455561760 /nfs/dbraw/zinc/56/17/60/455561760.db2.gz AGOLLZQMUDGETH-ZCNNSNEGSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247125278 455562775 /nfs/dbraw/zinc/56/27/75/455562775.db2.gz ANPHIEXHDIWNLR-NSISKUIASA-N 2 1 343.515 3.052 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192138302 455563368 /nfs/dbraw/zinc/56/33/68/455563368.db2.gz GNNADEYTAIZWDF-ROUUACIJSA-N 2 1 335.398 3.370 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCN([C@H](C)c2ccsc2)CC1 ZINC000185494584 455567575 /nfs/dbraw/zinc/56/75/75/455567575.db2.gz UFJUMZMZTQUVRO-MRXNPFEDSA-N 2 1 332.517 3.412 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000247164717 455568310 /nfs/dbraw/zinc/56/83/10/455568310.db2.gz XZLFZFIRXVMOFG-XJKSGUPXSA-N 2 1 337.895 3.297 20 0 EGADMP CCCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000247220464 455574264 /nfs/dbraw/zinc/57/42/64/455574264.db2.gz VXBIFAPMOUCTCP-ROUUACIJSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000247220464 455574266 /nfs/dbraw/zinc/57/42/66/455574266.db2.gz VXBIFAPMOUCTCP-ROUUACIJSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000247220464 455574269 /nfs/dbraw/zinc/57/42/69/455574269.db2.gz VXBIFAPMOUCTCP-ROUUACIJSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000247220464 455574271 /nfs/dbraw/zinc/57/42/71/455574271.db2.gz VXBIFAPMOUCTCP-ROUUACIJSA-N 2 1 332.488 3.400 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N(C)C1CCC(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185688771 455596724 /nfs/dbraw/zinc/59/67/24/455596724.db2.gz IGEZZHFPZWDGQN-IAFLDTSXSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N(C)C1CCC(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185688771 455596728 /nfs/dbraw/zinc/59/67/28/455596728.db2.gz IGEZZHFPZWDGQN-IAFLDTSXSA-N 2 1 349.563 3.266 20 0 EGADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCOc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000292210231 455596934 /nfs/dbraw/zinc/59/69/34/455596934.db2.gz UAVRVNASTWDZAU-MRXNPFEDSA-N 2 1 328.378 3.112 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCOc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000292210231 455596939 /nfs/dbraw/zinc/59/69/39/455596939.db2.gz UAVRVNASTWDZAU-MRXNPFEDSA-N 2 1 328.378 3.112 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCOc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000292210231 455596945 /nfs/dbraw/zinc/59/69/45/455596945.db2.gz UAVRVNASTWDZAU-MRXNPFEDSA-N 2 1 328.378 3.112 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCOc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000292210231 455596950 /nfs/dbraw/zinc/59/69/50/455596950.db2.gz UAVRVNASTWDZAU-MRXNPFEDSA-N 2 1 328.378 3.112 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185707990 455602196 /nfs/dbraw/zinc/60/21/96/455602196.db2.gz RBAUPSUDRVXVGB-PMPSAXMXSA-N 2 1 347.478 3.395 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185707990 455602198 /nfs/dbraw/zinc/60/21/98/455602198.db2.gz RBAUPSUDRVXVGB-PMPSAXMXSA-N 2 1 347.478 3.395 20 0 EGADMP C[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185718872 455604587 /nfs/dbraw/zinc/60/45/87/455604587.db2.gz SQWKOIAQCQWRQY-GJZGRUSLSA-N 2 1 333.451 3.007 20 0 EGADMP C[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185718872 455604589 /nfs/dbraw/zinc/60/45/89/455604589.db2.gz SQWKOIAQCQWRQY-GJZGRUSLSA-N 2 1 333.451 3.007 20 0 EGADMP COc1ccc(OCC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185758667 455615179 /nfs/dbraw/zinc/61/51/79/455615179.db2.gz ISOZWNCKUMYNII-IAGOWNOFSA-N 2 1 332.488 3.317 20 0 EGADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000271426913 455632516 /nfs/dbraw/zinc/63/25/16/455632516.db2.gz CZPRMNUTFATPEJ-HNNXBMFYSA-N 2 1 338.517 3.004 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cccc(OCC[NH+](C)C)c1 ZINC000271513485 455667590 /nfs/dbraw/zinc/66/75/90/455667590.db2.gz OCCVKCQSXBITMA-RDTXWAMCSA-N 2 1 328.460 3.078 20 0 EGADMP CSc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1F ZINC000248146139 455688037 /nfs/dbraw/zinc/68/80/37/455688037.db2.gz QFJPXBOISKYSJL-HOCLYGCPSA-N 2 1 340.508 3.435 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1OC(F)F ZINC000248201483 455698273 /nfs/dbraw/zinc/69/82/73/455698273.db2.gz YVUHMDZHJMOBLP-LSDHHAIUSA-N 2 1 340.414 3.213 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1OC(F)F ZINC000248201483 455698278 /nfs/dbraw/zinc/69/82/78/455698278.db2.gz YVUHMDZHJMOBLP-LSDHHAIUSA-N 2 1 340.414 3.213 20 0 EGADMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OC(F)F ZINC000248201483 455698282 /nfs/dbraw/zinc/69/82/82/455698282.db2.gz YVUHMDZHJMOBLP-LSDHHAIUSA-N 2 1 340.414 3.213 20 0 EGADMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OC(F)F ZINC000248201483 455698289 /nfs/dbraw/zinc/69/82/89/455698289.db2.gz YVUHMDZHJMOBLP-LSDHHAIUSA-N 2 1 340.414 3.213 20 0 EGADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)Cc1ccsc1 ZINC000192834750 455703717 /nfs/dbraw/zinc/70/37/17/455703717.db2.gz HVMIBMQWNXTXJV-SFHVURJKSA-N 2 1 337.577 3.417 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2c1cnn2C ZINC000268863121 455715086 /nfs/dbraw/zinc/71/50/86/455715086.db2.gz ZJWRIRYCPKLOHD-NSISKUIASA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2c1cnn2C ZINC000268863121 455715093 /nfs/dbraw/zinc/71/50/93/455715093.db2.gz ZJWRIRYCPKLOHD-NSISKUIASA-N 2 1 338.499 3.298 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCC4OCCCO4)CC[C@@H]32)cc1 ZINC000268975821 455750164 /nfs/dbraw/zinc/75/01/64/455750164.db2.gz JDBKGKSEYKCGSN-UXHICEINSA-N 2 1 344.499 3.126 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCC4OCCCO4)CC[C@@H]32)cc1 ZINC000268975821 455750167 /nfs/dbraw/zinc/75/01/67/455750167.db2.gz JDBKGKSEYKCGSN-UXHICEINSA-N 2 1 344.499 3.126 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCC4OCCCO4)CC[C@@H]32)cc1 ZINC000268975821 455750177 /nfs/dbraw/zinc/75/01/77/455750177.db2.gz JDBKGKSEYKCGSN-UXHICEINSA-N 2 1 344.499 3.126 20 0 EGADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccsc1 ZINC000269039599 455772085 /nfs/dbraw/zinc/77/20/85/455772085.db2.gz UYPLZDBNMAFKIL-IBGZPJMESA-N 2 1 330.497 3.078 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(C[NH2+]CC)CC2)cc1 ZINC000269186425 455807414 /nfs/dbraw/zinc/80/74/14/455807414.db2.gz GKKVZEISLWNPHB-UHFFFAOYSA-N 2 1 345.531 3.380 20 0 EGADMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1OC(F)F ZINC000285555202 455868793 /nfs/dbraw/zinc/86/87/93/455868793.db2.gz RDQZRHBWOVPIAV-YIONKMFJSA-N 2 1 340.414 3.354 20 0 EGADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1OC(F)F ZINC000285555202 455868794 /nfs/dbraw/zinc/86/87/94/455868794.db2.gz RDQZRHBWOVPIAV-YIONKMFJSA-N 2 1 340.414 3.354 20 0 EGADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OC(F)F ZINC000285555202 455868795 /nfs/dbraw/zinc/86/87/95/455868795.db2.gz RDQZRHBWOVPIAV-YIONKMFJSA-N 2 1 340.414 3.354 20 0 EGADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC(F)F ZINC000285555202 455868798 /nfs/dbraw/zinc/86/87/98/455868798.db2.gz RDQZRHBWOVPIAV-YIONKMFJSA-N 2 1 340.414 3.354 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C)c1OC ZINC000285561326 455870319 /nfs/dbraw/zinc/87/03/19/455870319.db2.gz HGTQBLHXWPLNMX-QGTPRVQTSA-N 2 1 332.488 3.160 20 0 EGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](CCO[C@H]4CCCCO4)C3)C2)cc1 ZINC000285751084 455909445 /nfs/dbraw/zinc/90/94/45/455909445.db2.gz YUZGFWYIJMWGRL-LEWJYISDSA-N 2 1 344.499 3.128 20 0 EGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CCO[C@H]4CCCCO4)C3)C2)cc1 ZINC000285751084 455909450 /nfs/dbraw/zinc/90/94/50/455909450.db2.gz YUZGFWYIJMWGRL-LEWJYISDSA-N 2 1 344.499 3.128 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CCO[C@H]4CCCCO4)C3)C2)cc1 ZINC000285751084 455909454 /nfs/dbraw/zinc/90/94/54/455909454.db2.gz YUZGFWYIJMWGRL-LEWJYISDSA-N 2 1 344.499 3.128 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CCO[C@H]4CCCCO4)C3)C2)cc1 ZINC000285751084 455909458 /nfs/dbraw/zinc/90/94/58/455909458.db2.gz YUZGFWYIJMWGRL-LEWJYISDSA-N 2 1 344.499 3.128 20 0 EGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261646310 455921408 /nfs/dbraw/zinc/92/14/08/455921408.db2.gz ASTOYFSNNRAPMZ-GFCCVEGCSA-N 2 1 338.377 3.266 20 0 EGADMP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272372806 455929099 /nfs/dbraw/zinc/92/90/99/455929099.db2.gz UZEWIRHGFMMSKB-XCZFOBESSA-N 2 1 328.500 3.300 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)COc1ncccc1C(F)(F)F ZINC000272375948 455929896 /nfs/dbraw/zinc/92/98/96/455929896.db2.gz QKKNKLFQUPXBQE-UHFFFAOYSA-N 2 1 342.365 3.053 20 0 EGADMP Cc1nc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000272378426 455930894 /nfs/dbraw/zinc/93/08/94/455930894.db2.gz BMOLYBYCHXWUQB-CRAIPNDOSA-N 2 1 329.513 3.494 20 0 EGADMP C[NH+](C)CCCC1CC[NH+](Cc2cccc(Br)n2)CC1 ZINC000272412311 455942283 /nfs/dbraw/zinc/94/22/83/455942283.db2.gz LQBCEWOHHCVQCX-UHFFFAOYSA-N 2 1 340.309 3.398 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000261815463 455953517 /nfs/dbraw/zinc/95/35/17/455953517.db2.gz NRRPARNDSYUPLK-VQIMIIECSA-N 2 1 331.504 3.118 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1Cl ZINC000280375695 455958668 /nfs/dbraw/zinc/95/86/68/455958668.db2.gz YOKWDJPQIRPBLH-UHFFFAOYSA-N 2 1 335.879 3.215 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187962132 455972968 /nfs/dbraw/zinc/97/29/68/455972968.db2.gz SXMSZNUPSMPGGJ-VXKWHMMOSA-N 2 1 343.559 3.360 20 0 EGADMP OC1CC[NH+](Cc2ccc(CNc3[nH]c4ccccc4[nH+]3)cc2)CC1 ZINC000270571958 455986170 /nfs/dbraw/zinc/98/61/70/455986170.db2.gz NGSWISKYGSJDTR-UHFFFAOYSA-N 2 1 336.439 3.132 20 0 EGADMP COc1c(O)cccc1CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272612920 456013612 /nfs/dbraw/zinc/01/36/12/456013612.db2.gz KSYSOSBDPIMHFC-APWZRJJASA-N 2 1 340.467 3.401 20 0 EGADMP COc1c(O)cccc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272612920 456013618 /nfs/dbraw/zinc/01/36/18/456013618.db2.gz KSYSOSBDPIMHFC-APWZRJJASA-N 2 1 340.467 3.401 20 0 EGADMP COc1c(O)cccc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272612920 456013624 /nfs/dbraw/zinc/01/36/24/456013624.db2.gz KSYSOSBDPIMHFC-APWZRJJASA-N 2 1 340.467 3.401 20 0 EGADMP C[C@H](Cc1ccccc1F)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000188189572 456016748 /nfs/dbraw/zinc/01/67/48/456016748.db2.gz JPDGTCIBGGCENO-QGZVFWFLSA-N 2 1 334.479 3.381 20 0 EGADMP CS[C@@H](CO)[C@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286336872 456026487 /nfs/dbraw/zinc/02/64/87/456026487.db2.gz YDBHESDKOIHZBC-RXQRSOPUSA-N 2 1 336.545 3.132 20 0 EGADMP Cc1ccc([C@H](O)C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000272657432 456027727 /nfs/dbraw/zinc/02/77/27/456027727.db2.gz LZJTYXRPFUMVBX-BHIYHBOVSA-N 2 1 328.456 3.122 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@@H]2C)c1 ZINC000280811321 456056965 /nfs/dbraw/zinc/05/69/65/456056965.db2.gz IBMARAWFSMOIAG-ZYSHUDEJSA-N 2 1 332.488 3.206 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)cc1 ZINC000272757855 456062363 /nfs/dbraw/zinc/06/23/63/456062363.db2.gz FOZFWAJWYQYIDP-KRWDZBQOSA-N 2 1 343.515 3.299 20 0 EGADMP CCc1ccc2[nH+]ccc(N3CCC([N@@H+](C)CCCO)CC3)c2c1 ZINC000297069006 456108048 /nfs/dbraw/zinc/10/80/48/456108048.db2.gz JKNRYSOSKLQQPI-UHFFFAOYSA-N 2 1 327.472 3.080 20 0 EGADMP CC[N@@H+](CCOc1ccc(Br)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000226438943 456110852 /nfs/dbraw/zinc/11/08/52/456110852.db2.gz OPXQQNLJOVHWFN-CQSZACIVSA-N 2 1 341.293 3.149 20 0 EGADMP CCC[N@@H+](C)[C@H](CNC(=O)Cn1ccnc1C)c1ccc(Cl)cc1 ZINC000297208700 456150106 /nfs/dbraw/zinc/15/01/06/456150106.db2.gz WQPFCXCIWBKTKL-QGZVFWFLSA-N 2 1 348.878 3.044 20 0 EGADMP CCC[N@H+](C)[C@H](CNC(=O)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000297208700 456150109 /nfs/dbraw/zinc/15/01/09/456150109.db2.gz WQPFCXCIWBKTKL-QGZVFWFLSA-N 2 1 348.878 3.044 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1c(Cl)cccc1-n1ccnc1 ZINC000297280117 456169996 /nfs/dbraw/zinc/16/99/96/456169996.db2.gz LHEUBMSPXSENEC-CKEIUWERSA-N 3 1 332.879 3.344 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000297280117 456170005 /nfs/dbraw/zinc/17/00/05/456170005.db2.gz LHEUBMSPXSENEC-CKEIUWERSA-N 2 1 332.879 3.344 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000297280117 456170012 /nfs/dbraw/zinc/17/00/12/456170012.db2.gz LHEUBMSPXSENEC-CKEIUWERSA-N 2 1 332.879 3.344 20 0 EGADMP Cc1[nH+]ccn1CC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000289909921 456177419 /nfs/dbraw/zinc/17/74/19/456177419.db2.gz SXENHMDNFPFLKD-UHFFFAOYSA-N 2 1 328.391 3.351 20 0 EGADMP Cc1cn[nH]c1C[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000289948462 456192747 /nfs/dbraw/zinc/19/27/47/456192747.db2.gz QASKXEAAPALPAM-IYBDPMFKSA-N 2 1 326.488 3.486 20 0 EGADMP Cc1cn[nH]c1C[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000289948462 456192753 /nfs/dbraw/zinc/19/27/53/456192753.db2.gz QASKXEAAPALPAM-IYBDPMFKSA-N 2 1 326.488 3.486 20 0 EGADMP Cc1c[nH]nc1C[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000289948462 456192758 /nfs/dbraw/zinc/19/27/58/456192758.db2.gz QASKXEAAPALPAM-IYBDPMFKSA-N 2 1 326.488 3.486 20 0 EGADMP Cc1c[nH]nc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000289948462 456192767 /nfs/dbraw/zinc/19/27/67/456192767.db2.gz QASKXEAAPALPAM-IYBDPMFKSA-N 2 1 326.488 3.486 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1)C(C)C ZINC000289956780 456194455 /nfs/dbraw/zinc/19/44/55/456194455.db2.gz PONHQSWTVGEMQS-NRFANRHFSA-N 2 1 343.515 3.133 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000189004246 456195206 /nfs/dbraw/zinc/19/52/06/456195206.db2.gz VJQBARPVSNQEHD-KRWDZBQOSA-N 2 1 344.478 3.425 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189004246 456195209 /nfs/dbraw/zinc/19/52/09/456195209.db2.gz VJQBARPVSNQEHD-KRWDZBQOSA-N 2 1 344.478 3.425 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189004246 456195217 /nfs/dbraw/zinc/19/52/17/456195217.db2.gz VJQBARPVSNQEHD-KRWDZBQOSA-N 2 1 344.478 3.425 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c2nccn21 ZINC000297351967 456195685 /nfs/dbraw/zinc/19/56/85/456195685.db2.gz PDRXEAXUXXDGKT-DNVCBOLYSA-N 2 1 340.471 3.152 20 0 EGADMP COc1cc(C)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1C ZINC000273187384 456206357 /nfs/dbraw/zinc/20/63/57/456206357.db2.gz PDRDWFGULWNZDP-ZWKOTPCHSA-N 2 1 334.504 3.200 20 0 EGADMP C[C@H](CCCCO)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000273186286 456206923 /nfs/dbraw/zinc/20/69/23/456206923.db2.gz GAGGMJFQFQFBNX-AYWYSENESA-N 2 1 330.516 3.428 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189040482 456207873 /nfs/dbraw/zinc/20/78/73/456207873.db2.gz RCTPGIVXAOEDOJ-VXKWHMMOSA-N 2 1 343.559 3.405 20 0 EGADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000237019113 456219467 /nfs/dbraw/zinc/21/94/67/456219467.db2.gz FHFQMHUDVRIIQQ-RHSMWYFYSA-N 2 1 328.460 3.367 20 0 EGADMP CCc1cc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c2ccccc2[nH+]1 ZINC000301811345 456220762 /nfs/dbraw/zinc/22/07/62/456220762.db2.gz XOFUOWFQCXKFGS-GOSISDBHSA-N 2 1 338.499 3.013 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000237191988 456244184 /nfs/dbraw/zinc/24/41/84/456244184.db2.gz VBFZNIIOQMPGJH-UHFFFAOYSA-N 2 1 343.515 3.019 20 0 EGADMP COc1ncccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000290204595 456266184 /nfs/dbraw/zinc/26/61/84/456266184.db2.gz PJZIBBCKSXHDRD-PXNSSMCTSA-N 2 1 339.483 3.275 20 0 EGADMP COc1ncccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000290204595 456266185 /nfs/dbraw/zinc/26/61/85/456266185.db2.gz PJZIBBCKSXHDRD-PXNSSMCTSA-N 2 1 339.483 3.275 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]CCCCCOc1ccccc1 ZINC000275670373 456281357 /nfs/dbraw/zinc/28/13/57/456281357.db2.gz FUWINISDIWPRGL-LJQANCHMSA-N 2 1 334.504 3.062 20 0 EGADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CCOCC2CC2)CC3)cc1 ZINC000342868562 456284469 /nfs/dbraw/zinc/28/44/69/456284469.db2.gz OQSLIDZVAHMEIO-UHFFFAOYSA-N 2 1 328.500 3.401 20 0 EGADMP CC[C@@H]1Oc2cc([C@H](C)[NH2+]C3CC[NH+](C4CC4)CC3)ccc2NC1=O ZINC000297766799 456289798 /nfs/dbraw/zinc/28/97/98/456289798.db2.gz VIHREOJKSHSHCX-UGSOOPFHSA-N 2 1 343.471 3.074 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1OC ZINC000290339901 456297526 /nfs/dbraw/zinc/29/75/26/456297526.db2.gz FICBKLYALTZSOG-SFHVURJKSA-N 2 1 332.488 3.258 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(-c2ccccc2)n1 ZINC000342899717 456302854 /nfs/dbraw/zinc/30/28/54/456302854.db2.gz GFGDHJJVUJOXBO-GOSISDBHSA-N 2 1 338.499 3.251 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(-c2ccccc2)n1 ZINC000342899717 456302863 /nfs/dbraw/zinc/30/28/63/456302863.db2.gz GFGDHJJVUJOXBO-GOSISDBHSA-N 2 1 338.499 3.251 20 0 EGADMP Cn1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(-c2ccccc2)n1 ZINC000342899717 456302868 /nfs/dbraw/zinc/30/28/68/456302868.db2.gz GFGDHJJVUJOXBO-GOSISDBHSA-N 2 1 338.499 3.251 20 0 EGADMP Cn1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(-c2ccccc2)n1 ZINC000342899717 456302874 /nfs/dbraw/zinc/30/28/74/456302874.db2.gz GFGDHJJVUJOXBO-GOSISDBHSA-N 2 1 338.499 3.251 20 0 EGADMP Clc1ccc2c(n1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000297836662 456304914 /nfs/dbraw/zinc/30/49/14/456304914.db2.gz SCMZITABDCKTAC-PBHICJAKSA-N 2 1 349.906 3.203 20 0 EGADMP CC(C)[NH+](CCCNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)C(C)C ZINC000347685689 456305759 /nfs/dbraw/zinc/30/57/59/456305759.db2.gz HRTFICPJASGILO-ZWKOTPCHSA-N 2 1 340.556 3.057 20 0 EGADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1O ZINC000336791812 456310378 /nfs/dbraw/zinc/31/03/78/456310378.db2.gz PDNUQOHKCJOVLI-LJQANCHMSA-N 2 1 340.467 3.403 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000290397590 456316309 /nfs/dbraw/zinc/31/63/09/456316309.db2.gz JEBUNNYYPUHWNM-UHFFFAOYSA-N 2 1 337.427 3.296 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000290397590 456316310 /nfs/dbraw/zinc/31/63/10/456316310.db2.gz JEBUNNYYPUHWNM-UHFFFAOYSA-N 2 1 337.427 3.296 20 0 EGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc3c(c2)nnn3C)C1 ZINC000352806826 456325393 /nfs/dbraw/zinc/32/53/93/456325393.db2.gz VWNCNLSCDBUHFR-FUHWJXTLSA-N 2 1 341.503 3.055 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc3c(c2)nnn3C)C1 ZINC000352806826 456325400 /nfs/dbraw/zinc/32/54/00/456325400.db2.gz VWNCNLSCDBUHFR-FUHWJXTLSA-N 2 1 341.503 3.055 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)nnn3C)C1 ZINC000352806826 456325408 /nfs/dbraw/zinc/32/54/08/456325408.db2.gz VWNCNLSCDBUHFR-FUHWJXTLSA-N 2 1 341.503 3.055 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)nnn3C)C1 ZINC000352806826 456325412 /nfs/dbraw/zinc/32/54/12/456325412.db2.gz VWNCNLSCDBUHFR-FUHWJXTLSA-N 2 1 341.503 3.055 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccc4cc[nH]c43)CC2)C[C@H](C)O1 ZINC000352808795 456327362 /nfs/dbraw/zinc/32/73/62/456327362.db2.gz ZJXPOIGHVZPUOP-CALCHBBNSA-N 2 1 341.499 3.489 20 0 EGADMP C[NH+](C)Cc1cnc(CNC[C@@H]2CCC[N@@H+]2C2CCCCC2)s1 ZINC000352852418 456363136 /nfs/dbraw/zinc/36/31/36/456363136.db2.gz GIWPKHXWTVTRJV-INIZCTEOSA-N 2 1 336.549 3.091 20 0 EGADMP C[NH+](C)Cc1cnc(CNC[C@@H]2CCC[N@H+]2C2CCCCC2)s1 ZINC000352852418 456363144 /nfs/dbraw/zinc/36/31/44/456363144.db2.gz GIWPKHXWTVTRJV-INIZCTEOSA-N 2 1 336.549 3.091 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000352851959 456363182 /nfs/dbraw/zinc/36/31/82/456363182.db2.gz JENIWDLSLLFORS-UHFFFAOYSA-N 2 1 327.259 3.354 20 0 EGADMP COc1cc2[nH+]ccc(N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2cc1OC ZINC000298183915 456384590 /nfs/dbraw/zinc/38/45/90/456384590.db2.gz GUYIRVYTQQKRBF-ZDUSSCGKSA-N 2 1 338.411 3.359 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)c1OC ZINC000347848842 456403012 /nfs/dbraw/zinc/40/30/12/456403012.db2.gz JANBZQGKJKYTHD-QGZVFWFLSA-N 2 1 332.488 3.320 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)c1OC ZINC000347848842 456403015 /nfs/dbraw/zinc/40/30/15/456403015.db2.gz JANBZQGKJKYTHD-QGZVFWFLSA-N 2 1 332.488 3.320 20 0 EGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1Cl ZINC000282141714 456424310 /nfs/dbraw/zinc/42/43/10/456424310.db2.gz CCUJRHCJRFEPEO-CYBMUJFWSA-N 2 1 327.875 3.156 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340378680 456424995 /nfs/dbraw/zinc/42/49/95/456424995.db2.gz FRWRTSMBAPMTDM-XWSJACJDSA-N 2 1 330.472 3.143 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340378680 456425001 /nfs/dbraw/zinc/42/50/01/456425001.db2.gz FRWRTSMBAPMTDM-XWSJACJDSA-N 2 1 330.472 3.143 20 0 EGADMP C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347971596 456432205 /nfs/dbraw/zinc/43/22/05/456432205.db2.gz XYUFCUMNRNHOHF-DFQSSKMNSA-N 2 1 341.499 3.383 20 0 EGADMP c1ccc(OCc2ccncc2)c(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000340401324 456439008 /nfs/dbraw/zinc/43/90/08/456439008.db2.gz LSTZNHUPNCQCTQ-UHFFFAOYSA-N 2 1 325.456 3.236 20 0 EGADMP c1ccc(OCc2ccncc2)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000340415265 456447112 /nfs/dbraw/zinc/44/71/12/456447112.db2.gz JFXYEWRKJKIJAO-VQTJNVASSA-N 2 1 337.467 3.377 20 0 EGADMP c1ccc(OCc2ccncc2)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000340415265 456447116 /nfs/dbraw/zinc/44/71/16/456447116.db2.gz JFXYEWRKJKIJAO-VQTJNVASSA-N 2 1 337.467 3.377 20 0 EGADMP COCc1cc(CNCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)no1 ZINC000298438105 456456395 /nfs/dbraw/zinc/45/63/95/456456395.db2.gz NJVQSKYDOFLWNS-INIZCTEOSA-N 2 1 343.471 3.485 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc(N(C)C)s2)c1 ZINC000340438020 456462691 /nfs/dbraw/zinc/46/26/91/456462691.db2.gz XYXUGENEJAOFOC-UHFFFAOYSA-N 2 1 332.517 3.339 20 0 EGADMP c1cc(N2CCCCCC2)ncc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298466153 456463986 /nfs/dbraw/zinc/46/39/86/456463986.db2.gz OQYUBRDVAXRMIA-UHFFFAOYSA-N 2 1 328.504 3.178 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340455058 456469940 /nfs/dbraw/zinc/46/99/40/456469940.db2.gz QSADBAQOOGGQFX-UAGQMJEPSA-N 2 1 328.435 3.289 20 0 EGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)[C@]1(C)CCCO1)c1ccccc1 ZINC000340476985 456484394 /nfs/dbraw/zinc/48/43/94/456484394.db2.gz DFWVMHQPSDWWHL-HOJAQTOUSA-N 2 1 334.504 3.243 20 0 EGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)[C@]1(C)CCCO1)c1ccccc1 ZINC000340476985 456484401 /nfs/dbraw/zinc/48/44/01/456484401.db2.gz DFWVMHQPSDWWHL-HOJAQTOUSA-N 2 1 334.504 3.243 20 0 EGADMP C[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccncc1F ZINC000340474007 456480959 /nfs/dbraw/zinc/48/09/59/456480959.db2.gz GBKNXHPAHUONBL-SJLPKXTDSA-N 2 1 327.447 3.436 20 0 EGADMP CSc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000282423815 456508750 /nfs/dbraw/zinc/50/87/50/456508750.db2.gz STYWZNKWFUHGMI-AWEZNQCLSA-N 2 1 339.524 3.224 20 0 EGADMP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000307946234 456570956 /nfs/dbraw/zinc/57/09/56/456570956.db2.gz JDVOUBWPZKFVSM-DLBZAZTESA-N 2 1 344.421 3.192 20 0 EGADMP CC[N@@H+]1CCC[C@@H](CN(C)c2cccc(C)[nH+]2)[C@@H]1c1cnn(C)c1 ZINC000337856400 456573117 /nfs/dbraw/zinc/57/31/17/456573117.db2.gz HISZXURHSGROGQ-QFBILLFUSA-N 2 1 327.476 3.033 20 0 EGADMP CC[N@H+]1CCC[C@@H](CN(C)c2cccc(C)[nH+]2)[C@@H]1c1cnn(C)c1 ZINC000337856400 456573123 /nfs/dbraw/zinc/57/31/23/456573123.db2.gz HISZXURHSGROGQ-QFBILLFUSA-N 2 1 327.476 3.033 20 0 EGADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000310139113 456579713 /nfs/dbraw/zinc/57/97/13/456579713.db2.gz MRIGONYSZPOZEI-XIYVOTBMSA-N 2 1 328.500 3.444 20 0 EGADMP C[C@H]([NH2+]CCCOCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310474108 456584298 /nfs/dbraw/zinc/58/42/98/456584298.db2.gz CEPJDEVYIBUTHU-RDJZCZTQSA-N 2 1 344.421 3.456 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2C(F)F)c1 ZINC000291284906 456591575 /nfs/dbraw/zinc/59/15/75/456591575.db2.gz VCXGQYFDLFRTNZ-UHFFFAOYSA-N 2 1 336.430 3.488 20 0 EGADMP Cc1nccn1CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291411243 456637265 /nfs/dbraw/zinc/63/72/65/456637265.db2.gz GJZYELRFQKRGRS-UHFFFAOYSA-N 2 1 338.499 3.180 20 0 EGADMP CCn1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1=O ZINC000348361472 456649528 /nfs/dbraw/zinc/64/95/28/456649528.db2.gz SPRHKWQDHSNZRP-OAHLLOKOSA-N 2 1 336.439 3.213 20 0 EGADMP O[C@@H]1CCC[C@]1(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000277012495 456653499 /nfs/dbraw/zinc/65/34/99/456653499.db2.gz CELICMMBLCHHBX-DOIPELPJSA-N 2 1 346.490 3.116 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000291591206 456689891 /nfs/dbraw/zinc/68/98/91/456689891.db2.gz QXYONKSFUJMILB-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000299431812 456690723 /nfs/dbraw/zinc/69/07/23/456690723.db2.gz LUOGMKUPFYDELM-HXUWFJFHSA-N 2 1 337.467 3.351 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000343563182 456708868 /nfs/dbraw/zinc/70/88/68/456708868.db2.gz GIHMSFBIKKXMSH-HNNXBMFYSA-N 2 1 343.471 3.099 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000353490434 456711272 /nfs/dbraw/zinc/71/12/72/456711272.db2.gz QQECYHOEHPRFEO-MAUKXSAKSA-N 2 1 332.467 3.359 20 0 EGADMP C[C@H](C[NH2+][C@H](Cc1ccccn1)c1cccnc1)C[NH+]1CCCCC1 ZINC000338220492 456713759 /nfs/dbraw/zinc/71/37/59/456713759.db2.gz YCKLYDZLSZDECT-WIYYLYMNSA-N 2 1 338.499 3.472 20 0 EGADMP CSC1(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC1 ZINC000291675073 456716592 /nfs/dbraw/zinc/71/65/92/456716592.db2.gz WQGUFDFONOEHJP-GOSISDBHSA-N 2 1 334.529 3.153 20 0 EGADMP CSC1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC1 ZINC000291675073 456716598 /nfs/dbraw/zinc/71/65/98/456716598.db2.gz WQGUFDFONOEHJP-GOSISDBHSA-N 2 1 334.529 3.153 20 0 EGADMP COCC1(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000291689346 456721114 /nfs/dbraw/zinc/72/11/14/456721114.db2.gz IWBLHRRHKOYKGW-UHFFFAOYSA-N 2 1 348.531 3.177 20 0 EGADMP CCOC(=O)CCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000343600197 456735396 /nfs/dbraw/zinc/73/53/96/456735396.db2.gz FMUASVDDPGYJGA-NRFANRHFSA-N 2 1 344.499 3.318 20 0 EGADMP CCOC(=O)CCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000343600197 456735399 /nfs/dbraw/zinc/73/53/99/456735399.db2.gz FMUASVDDPGYJGA-NRFANRHFSA-N 2 1 344.499 3.318 20 0 EGADMP CCOC(=O)CCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000343600197 456735402 /nfs/dbraw/zinc/73/54/02/456735402.db2.gz FMUASVDDPGYJGA-NRFANRHFSA-N 2 1 344.499 3.318 20 0 EGADMP CCOC(=O)CCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000343600197 456735405 /nfs/dbraw/zinc/73/54/05/456735405.db2.gz FMUASVDDPGYJGA-NRFANRHFSA-N 2 1 344.499 3.318 20 0 EGADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1(C(=O)OC)CCC1 ZINC000353537694 456742155 /nfs/dbraw/zinc/74/21/55/456742155.db2.gz QFRAVLGIUHCFFK-LJQANCHMSA-N 2 1 344.499 3.146 20 0 EGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1(C(=O)OC)CCC1 ZINC000353537694 456742161 /nfs/dbraw/zinc/74/21/61/456742161.db2.gz QFRAVLGIUHCFFK-LJQANCHMSA-N 2 1 344.499 3.146 20 0 EGADMP C[C@H]1C[N@H+]([C@H]2CCc3c2cccc3Cl)CCN1C1CC[NH+](C)CC1 ZINC000343714093 456768053 /nfs/dbraw/zinc/76/80/53/456768053.db2.gz POOQDTDJVMZCNM-YWZLYKJASA-N 2 1 347.934 3.428 20 0 EGADMP C[C@H]1C[N@H+]([C@@H]2CCCc3ccccc32)CCN1C1CC[NH+](C)CC1 ZINC000343723144 456769686 /nfs/dbraw/zinc/76/96/86/456769686.db2.gz MYTPRMHOTCTETO-LAUBAEHRSA-N 2 1 327.516 3.164 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCOc1ccc(OC)cc1 ZINC000277337689 456784600 /nfs/dbraw/zinc/78/46/00/456784600.db2.gz VVVYCDHFEPTEIG-UHFFFAOYSA-N 2 1 331.460 3.245 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCOc1ccc(OC)cc1 ZINC000277337689 456784602 /nfs/dbraw/zinc/78/46/02/456784602.db2.gz VVVYCDHFEPTEIG-UHFFFAOYSA-N 2 1 331.460 3.245 20 0 EGADMP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000338434495 456817258 /nfs/dbraw/zinc/81/72/58/456817258.db2.gz CUOBJRCQCPTXTQ-ZWKOTPCHSA-N 2 1 343.515 3.275 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)nn1C ZINC000283729411 456831856 /nfs/dbraw/zinc/83/18/56/456831856.db2.gz CBKCTVXEQMMNTJ-MRXNPFEDSA-N 2 1 342.487 3.052 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+](C)CC[C@H]3CCCC[NH+]3C)s2)cn1 ZINC000338949661 456870981 /nfs/dbraw/zinc/87/09/81/456870981.db2.gz XQAANEDSJZJQGH-MRXNPFEDSA-N 2 1 332.517 3.455 20 0 EGADMP Cn1cc(-c2ccc(C[N@@H+](C)CC[C@H]3CCCC[NH+]3C)s2)cn1 ZINC000338949661 456870987 /nfs/dbraw/zinc/87/09/87/456870987.db2.gz XQAANEDSJZJQGH-MRXNPFEDSA-N 2 1 332.517 3.455 20 0 EGADMP Cn1cc(-c2ccc(C[NH+](C)CC[C@H]3CCCC[N@@H+]3C)s2)cn1 ZINC000338949661 456870991 /nfs/dbraw/zinc/87/09/91/456870991.db2.gz XQAANEDSJZJQGH-MRXNPFEDSA-N 2 1 332.517 3.455 20 0 EGADMP Cn1cc(-c2ccc(C[NH+](C)CC[C@H]3CCCC[N@H+]3C)s2)cn1 ZINC000338949661 456870998 /nfs/dbraw/zinc/87/09/98/456870998.db2.gz XQAANEDSJZJQGH-MRXNPFEDSA-N 2 1 332.517 3.455 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)CCCOC(C)C)CC1 ZINC000353741581 456883331 /nfs/dbraw/zinc/88/33/31/456883331.db2.gz SCRBXAMOZXRHHZ-UHFFFAOYSA-N 2 1 333.520 3.075 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@H]1C ZINC000353749741 456888592 /nfs/dbraw/zinc/88/85/92/456888592.db2.gz MGXVPRQRJWRPDD-CRAIPNDOSA-N 2 1 342.487 3.390 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@H]1C ZINC000353749741 456888595 /nfs/dbraw/zinc/88/85/95/456888595.db2.gz MGXVPRQRJWRPDD-CRAIPNDOSA-N 2 1 342.487 3.390 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@H]1C ZINC000353749741 456888599 /nfs/dbraw/zinc/88/85/99/456888599.db2.gz MGXVPRQRJWRPDD-CRAIPNDOSA-N 2 1 342.487 3.390 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@H]1C ZINC000353749741 456888603 /nfs/dbraw/zinc/88/86/03/456888603.db2.gz MGXVPRQRJWRPDD-CRAIPNDOSA-N 2 1 342.487 3.390 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000345156452 456945814 /nfs/dbraw/zinc/94/58/14/456945814.db2.gz KCNPIHMVXMCRAQ-IAGOWNOFSA-N 2 1 331.504 3.016 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000349344585 456947805 /nfs/dbraw/zinc/94/78/05/456947805.db2.gz HTABCJCIAXWVKY-UHFFFAOYSA-N 2 1 327.407 3.038 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000349344585 456947811 /nfs/dbraw/zinc/94/78/11/456947811.db2.gz HTABCJCIAXWVKY-UHFFFAOYSA-N 2 1 327.407 3.038 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc(N(C)C)nc2)CC1)CC(C)C ZINC000349411063 456964619 /nfs/dbraw/zinc/96/46/19/456964619.db2.gz WNBSOWYXXLRYGN-UHFFFAOYSA-N 2 1 347.551 3.123 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000353988849 456992070 /nfs/dbraw/zinc/99/20/70/456992070.db2.gz YHTOZWHEESQSDM-PMACEKPBSA-N 2 1 341.503 3.182 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000353988849 456992075 /nfs/dbraw/zinc/99/20/75/456992075.db2.gz YHTOZWHEESQSDM-PMACEKPBSA-N 2 1 341.503 3.182 20 0 EGADMP Cc1cccc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000358868903 457014214 /nfs/dbraw/zinc/01/42/14/457014214.db2.gz DRBRYSLRJTVRNO-RTBURBONSA-N 2 1 346.515 3.085 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000346286629 457028790 /nfs/dbraw/zinc/02/87/90/457028790.db2.gz RFEVYMNDUZIJBC-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000346286629 457028796 /nfs/dbraw/zinc/02/87/96/457028796.db2.gz RFEVYMNDUZIJBC-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000346286629 457028802 /nfs/dbraw/zinc/02/88/02/457028802.db2.gz RFEVYMNDUZIJBC-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000354100392 457061787 /nfs/dbraw/zinc/06/17/87/457061787.db2.gz LYSYBZDAGNMHPI-LJQANCHMSA-N 2 1 327.472 3.168 20 0 EGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccco1 ZINC000359567339 457097299 /nfs/dbraw/zinc/09/72/99/457097299.db2.gz WZZDMWGTYVZIHT-CGTJXYLNSA-N 2 1 347.503 3.232 20 0 EGADMP CO[C@H]1CC[N@H+](CCCCc2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000339410698 457098058 /nfs/dbraw/zinc/09/80/58/457098058.db2.gz SFFJCYZDYKKCKZ-IRXDYDNUSA-N 2 1 344.421 3.466 20 0 EGADMP CO[C@H]1CC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000339410698 457098063 /nfs/dbraw/zinc/09/80/63/457098063.db2.gz SFFJCYZDYKKCKZ-IRXDYDNUSA-N 2 1 344.421 3.466 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C/C=C\c2ccc(F)cc2F)C[C@H](C)O1 ZINC000349904312 457101199 /nfs/dbraw/zinc/10/11/99/457101199.db2.gz JHLDZVDOVTXYNO-HNXFAEETSA-N 2 1 338.442 3.457 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OCc4cccnc4)cc3)C[C@@H]21 ZINC000342091855 457103564 /nfs/dbraw/zinc/10/35/64/457103564.db2.gz CXRKVVKJGAACOX-SESVDKBCSA-N 2 1 337.467 3.220 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000354217359 457137210 /nfs/dbraw/zinc/13/72/10/457137210.db2.gz QQYFXHKDLBIXIQ-HNNXBMFYSA-N 2 1 338.517 3.139 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000354217359 457137217 /nfs/dbraw/zinc/13/72/17/457137217.db2.gz QQYFXHKDLBIXIQ-HNNXBMFYSA-N 2 1 338.517 3.139 20 0 EGADMP c1cn2c([nH+]1)C[C@H](c1nc(-c3cccc(C[NH+]4CCCC4)c3)no1)CC2 ZINC000350023863 457147633 /nfs/dbraw/zinc/14/76/33/457147633.db2.gz NCXOHMGZYYJNFO-QGZVFWFLSA-N 2 1 349.438 3.259 20 0 EGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCc2[nH+]ccn21)c1ccccc1 ZINC000354254181 457156982 /nfs/dbraw/zinc/15/69/82/457156982.db2.gz KAVJHURZLQZWDE-NVXWUHKLSA-N 2 1 340.471 3.006 20 0 EGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CCC2(CC2)CC1 ZINC000362924813 457159016 /nfs/dbraw/zinc/15/90/16/457159016.db2.gz AFMVRNHKRLRHLU-FQEVSTJZSA-N 2 1 328.500 3.456 20 0 EGADMP c1ccc(OCc2cccnc2)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000363000687 457190567 /nfs/dbraw/zinc/19/05/67/457190567.db2.gz PIPKXGDLXVANRZ-PMACEKPBSA-N 2 1 337.467 3.377 20 0 EGADMP c1ccc(OCc2cccnc2)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000363000687 457190570 /nfs/dbraw/zinc/19/05/70/457190570.db2.gz PIPKXGDLXVANRZ-PMACEKPBSA-N 2 1 337.467 3.377 20 0 EGADMP CCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363136448 457234917 /nfs/dbraw/zinc/23/49/17/457234917.db2.gz IRQBENNNQMYAGP-KRWDZBQOSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3csc4ccccc34)CC2)C1 ZINC000363220427 457260868 /nfs/dbraw/zinc/26/08/68/457260868.db2.gz ZZXSRFAIPCMITQ-QGZVFWFLSA-N 2 1 329.513 3.113 20 0 EGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3csc4ccccc34)CC2)C1 ZINC000363220427 457260873 /nfs/dbraw/zinc/26/08/73/457260873.db2.gz ZZXSRFAIPCMITQ-QGZVFWFLSA-N 2 1 329.513 3.113 20 0 EGADMP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357090979 457317027 /nfs/dbraw/zinc/31/70/27/457317027.db2.gz VPMLIZYMNNXGGD-TZMCWYRMSA-N 2 1 332.473 3.181 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCCn2ccnc2C)CC1)CC1CC1 ZINC000357090129 457317184 /nfs/dbraw/zinc/31/71/84/457317184.db2.gz VTMMUXFSKZZYBI-UHFFFAOYSA-N 2 1 332.536 3.416 20 0 EGADMP CC[N@H+](CCC1CC[NH+](CCCn2cc[nH+]c2C)CC1)CC1CC1 ZINC000357090129 457317189 /nfs/dbraw/zinc/31/71/89/457317189.db2.gz VTMMUXFSKZZYBI-UHFFFAOYSA-N 3 1 332.536 3.416 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCCn2cc[nH+]c2C)CC1)CC1CC1 ZINC000357090129 457317195 /nfs/dbraw/zinc/31/71/95/457317195.db2.gz VTMMUXFSKZZYBI-UHFFFAOYSA-N 3 1 332.536 3.416 20 0 EGADMP C[C@@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000357106611 457326209 /nfs/dbraw/zinc/32/62/09/457326209.db2.gz DBIXDSNHWIAKIB-PJVZLEMVSA-N 2 1 337.552 3.122 20 0 EGADMP Cc1cnc([C@H](C)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000352447233 457373436 /nfs/dbraw/zinc/37/34/36/457373436.db2.gz JNUVTPRJWSOCAD-WDSOQIARSA-N 2 1 325.456 3.498 20 0 EGADMP CCOc1ncccc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357233941 457389713 /nfs/dbraw/zinc/38/97/13/457389713.db2.gz SFUSPHXXYBXWRZ-YLJYHZDGSA-N 2 1 339.483 3.481 20 0 EGADMP CCOc1ncccc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357233941 457389721 /nfs/dbraw/zinc/38/97/21/457389721.db2.gz SFUSPHXXYBXWRZ-YLJYHZDGSA-N 2 1 339.483 3.481 20 0 EGADMP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352494812 457413152 /nfs/dbraw/zinc/41/31/52/457413152.db2.gz FXGYMWNVOGLXEZ-FXAWDEMLSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352494812 457413157 /nfs/dbraw/zinc/41/31/57/457413157.db2.gz FXGYMWNVOGLXEZ-FXAWDEMLSA-N 2 1 343.515 3.017 20 0 EGADMP CCc1cccc(C)c1NC(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352494916 457414266 /nfs/dbraw/zinc/41/42/66/457414266.db2.gz GXOZLMBEVBPJHL-UHFFFAOYSA-N 2 1 331.504 3.337 20 0 EGADMP CCc1cccc(C)c1NC(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352494916 457414271 /nfs/dbraw/zinc/41/42/71/457414271.db2.gz GXOZLMBEVBPJHL-UHFFFAOYSA-N 2 1 331.504 3.337 20 0 EGADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1cccc2ccccc21 ZINC000352507827 457426858 /nfs/dbraw/zinc/42/68/58/457426858.db2.gz DHHZYTZNALQZIJ-FUHWJXTLSA-N 2 1 339.483 3.220 20 0 EGADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1cccc2ccccc21 ZINC000352507827 457426861 /nfs/dbraw/zinc/42/68/61/457426861.db2.gz DHHZYTZNALQZIJ-FUHWJXTLSA-N 2 1 339.483 3.220 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000390809069 457441565 /nfs/dbraw/zinc/44/15/65/457441565.db2.gz PRMZYNFNEJGZJX-CVEARBPZSA-N 2 1 327.513 3.001 20 0 EGADMP c1ccc(COc2ccccc2C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)nc1 ZINC000352535738 457446335 /nfs/dbraw/zinc/44/63/35/457446335.db2.gz VAHKUMRRBWLMAI-NRFANRHFSA-N 2 1 337.467 3.236 20 0 EGADMP c1ccc(COc2ccccc2C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)nc1 ZINC000352535738 457446338 /nfs/dbraw/zinc/44/63/38/457446338.db2.gz VAHKUMRRBWLMAI-NRFANRHFSA-N 2 1 337.467 3.236 20 0 EGADMP C[C@](O)(C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000393886142 457469454 /nfs/dbraw/zinc/46/94/54/457469454.db2.gz RXDTVSVVZPHQSA-SJORKVTESA-N 2 1 344.421 3.192 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@H]2CC[NH3+])cc1)C1CC1 ZINC000357363083 457472905 /nfs/dbraw/zinc/47/29/05/457472905.db2.gz NOOWYPLTWUKMIE-IBGZPJMESA-N 2 1 329.488 3.014 20 0 EGADMP C[C@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000395230783 457476694 /nfs/dbraw/zinc/47/66/94/457476694.db2.gz VRLYTEUUSZSCPS-SESVDKBCSA-N 2 1 329.532 3.409 20 0 EGADMP C[C@H]1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000347527564 457486788 /nfs/dbraw/zinc/48/67/88/457486788.db2.gz RZSCPPUETQZZCH-KRWDZBQOSA-N 2 1 349.478 3.026 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000401868337 457529401 /nfs/dbraw/zinc/52/94/01/457529401.db2.gz JDMIEHKBBXTZSN-UHFFFAOYSA-N 2 1 334.670 3.230 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(Br)cc1Cl ZINC000401754912 457530753 /nfs/dbraw/zinc/53/07/53/457530753.db2.gz DBPHMFIABRZOCJ-UHFFFAOYSA-N 2 1 328.641 3.168 20 0 EGADMP CO[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)C1CC1 ZINC000425409149 457539614 /nfs/dbraw/zinc/53/96/14/457539614.db2.gz ABNFKUXODNSRIZ-NJDAHSKKSA-N 2 1 328.500 3.398 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c2ccccc2C1 ZINC000361052201 457545599 /nfs/dbraw/zinc/54/55/99/457545599.db2.gz MHYQASXECDQRGA-WIYYLYMNSA-N 2 1 343.515 3.190 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000374271676 457559312 /nfs/dbraw/zinc/55/93/12/457559312.db2.gz UOAKPMSTAYLOAO-PZJWPPBQSA-N 2 1 346.515 3.072 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCSC3CCCCC3)C2)CC1 ZINC000374278221 457564197 /nfs/dbraw/zinc/56/41/97/457564197.db2.gz DQIFXVPCJCYKHZ-GOSISDBHSA-N 2 1 339.593 3.153 20 0 EGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cccs3)CC2)CC1 ZINC000374284168 457568485 /nfs/dbraw/zinc/56/84/85/457568485.db2.gz OMAYSBCQAUORDY-UHFFFAOYSA-N 2 1 335.561 3.376 20 0 EGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccs1 ZINC000374284168 457568489 /nfs/dbraw/zinc/56/84/89/457568489.db2.gz OMAYSBCQAUORDY-UHFFFAOYSA-N 3 1 335.561 3.376 20 0 EGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccs1 ZINC000374284168 457568495 /nfs/dbraw/zinc/56/84/95/457568495.db2.gz OMAYSBCQAUORDY-UHFFFAOYSA-N 3 1 335.561 3.376 20 0 EGADMP COCC[N@H+](C)CC[C@H](Nc1cc[nH+]cc1Cl)c1ccccc1 ZINC000352745620 457578079 /nfs/dbraw/zinc/57/80/79/457578079.db2.gz LBVQLEWQYXSQLQ-KRWDZBQOSA-N 2 1 333.863 3.278 20 0 EGADMP COCC[N@@H+](C)CC[C@H](Nc1cc[nH+]cc1Cl)c1ccccc1 ZINC000352745620 457578086 /nfs/dbraw/zinc/57/80/86/457578086.db2.gz LBVQLEWQYXSQLQ-KRWDZBQOSA-N 2 1 333.863 3.278 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C12CCCCC2 ZINC000352751733 457581781 /nfs/dbraw/zinc/58/17/81/457581781.db2.gz WMSYZNMUVHGZIV-JKSUJKDBSA-N 2 1 337.533 3.422 20 0 EGADMP CN1CC[C@H]2CC[N@H+](Cc3ccccc3OCC(F)(F)F)[C@H]2C1 ZINC000361101243 457581788 /nfs/dbraw/zinc/58/17/88/457581788.db2.gz AYVATLVAMBMTAW-ZFWWWQNUSA-N 2 1 328.378 3.154 20 0 EGADMP CN1CC[C@H]2CC[N@@H+](Cc3ccccc3OCC(F)(F)F)[C@H]2C1 ZINC000361101243 457581793 /nfs/dbraw/zinc/58/17/93/457581793.db2.gz AYVATLVAMBMTAW-ZFWWWQNUSA-N 2 1 328.378 3.154 20 0 EGADMP CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000357532754 457582850 /nfs/dbraw/zinc/58/28/50/457582850.db2.gz VKOKEVPTFCWQSC-YLJYHZDGSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]CCc2ccc(F)cc2Cl)CCCO1 ZINC000356393084 457602131 /nfs/dbraw/zinc/60/21/31/457602131.db2.gz KTUGQORZLCKGIR-AWEZNQCLSA-N 2 1 328.859 3.112 20 0 EGADMP CO[C@@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000374695291 457689173 /nfs/dbraw/zinc/68/91/73/457689173.db2.gz SGRCUXLREAWKEZ-RTBURBONSA-N 2 1 326.525 3.159 20 0 EGADMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cn1 ZINC000370672923 457696880 /nfs/dbraw/zinc/69/68/80/457696880.db2.gz IUNQTZPHOXFCBA-BEFAXECRSA-N 2 1 344.503 3.173 20 0 EGADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1C ZINC000370708130 457703956 /nfs/dbraw/zinc/70/39/56/457703956.db2.gz PBZSVXVHMXBTQB-GOSISDBHSA-N 2 1 343.515 3.438 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)[C@H](C)C1 ZINC000357889338 457724623 /nfs/dbraw/zinc/72/46/23/457724623.db2.gz ZMJAYHHGQXAVGJ-HIFRSBDPSA-N 2 1 345.409 3.189 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC000361455539 457737171 /nfs/dbraw/zinc/73/71/71/457737171.db2.gz DIKUFVHVXVPCFB-HOJAQTOUSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC000361455539 457737176 /nfs/dbraw/zinc/73/71/76/457737176.db2.gz DIKUFVHVXVPCFB-HOJAQTOUSA-N 2 1 328.500 3.446 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000433075516 457751170 /nfs/dbraw/zinc/75/11/70/457751170.db2.gz KYZKKVZFRWTLDS-NRFANRHFSA-N 2 1 329.532 3.282 20 0 EGADMP CCc1ccc([C@H]2CC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000433078164 457753271 /nfs/dbraw/zinc/75/32/71/457753271.db2.gz UXKSWWLUWLOAFZ-QFIPXVFZSA-N 2 1 343.559 3.454 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC)[C@@H](C)C1 ZINC000358081288 457772198 /nfs/dbraw/zinc/77/21/98/457772198.db2.gz HSDKFWQLVIEQMG-PKOBYXMFSA-N 2 1 334.504 3.312 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC)[C@@H](C)C1 ZINC000358081288 457772201 /nfs/dbraw/zinc/77/22/01/457772201.db2.gz HSDKFWQLVIEQMG-PKOBYXMFSA-N 2 1 334.504 3.312 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+](CCCCC(F)(F)F)CC2)CC1 ZINC000443596204 457785168 /nfs/dbraw/zinc/78/51/68/457785168.db2.gz YAHXVWZMXTVQOC-UHFFFAOYSA-N 2 1 335.458 3.209 20 0 EGADMP COC(=O)[C@]1(C)CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411325602 457857219 /nfs/dbraw/zinc/85/72/19/457857219.db2.gz ZURFBSAOCLKYOM-HXUWFJFHSA-N 2 1 330.472 3.058 20 0 EGADMP CCOc1cc2c(cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)O[C@H](C)C2 ZINC000358232621 457874939 /nfs/dbraw/zinc/87/49/39/457874939.db2.gz MKDCSPVKDJHPNC-BASYENTBSA-N 2 1 332.488 3.227 20 0 EGADMP CCOc1cc2c(cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)O[C@H](C)C2 ZINC000358232621 457874948 /nfs/dbraw/zinc/87/49/48/457874948.db2.gz MKDCSPVKDJHPNC-BASYENTBSA-N 2 1 332.488 3.227 20 0 EGADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411475703 457898131 /nfs/dbraw/zinc/89/81/31/457898131.db2.gz TUXBPVXGLXYKMR-VQTJNVASSA-N 2 1 341.499 3.029 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@]2(CCOC2)O1 ZINC000411661080 457941535 /nfs/dbraw/zinc/94/15/35/457941535.db2.gz LMOQSYXXVPBYRT-NQIIRXRSSA-N 2 1 344.499 3.052 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[C@@H]2CCC[NH+](C)C2)cc1)C(C)C ZINC000458157126 457948290 /nfs/dbraw/zinc/94/82/90/457948290.db2.gz CGKXLHPVKDQNJB-SFHVURJKSA-N 2 1 345.531 3.379 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1)C(C)C ZINC000458157126 457948294 /nfs/dbraw/zinc/94/82/94/457948294.db2.gz CGKXLHPVKDQNJB-SFHVURJKSA-N 2 1 345.531 3.379 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1)C(C)C ZINC000458157126 457948299 /nfs/dbraw/zinc/94/82/99/457948299.db2.gz CGKXLHPVKDQNJB-SFHVURJKSA-N 2 1 345.531 3.379 20 0 EGADMP c1cc(COC2CCOCC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358346696 457948534 /nfs/dbraw/zinc/94/85/34/457948534.db2.gz BVDOPUNJQVKXOZ-PMACEKPBSA-N 2 1 344.499 3.099 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC1 ZINC000427160995 457951584 /nfs/dbraw/zinc/95/15/84/457951584.db2.gz DXBVILNJRCLLMH-FXAWDEMLSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000427160995 457951592 /nfs/dbraw/zinc/95/15/92/457951592.db2.gz DXBVILNJRCLLMH-FXAWDEMLSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000427160995 457951597 /nfs/dbraw/zinc/95/15/97/457951597.db2.gz DXBVILNJRCLLMH-FXAWDEMLSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000427265278 457969686 /nfs/dbraw/zinc/96/96/86/457969686.db2.gz MQJAHEGJYYQOCX-FRQCXROJSA-N 2 1 349.544 3.027 20 0 EGADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000375649581 458004826 /nfs/dbraw/zinc/00/48/26/458004826.db2.gz RNYFZUJTHPXMHB-IBGZPJMESA-N 2 1 330.520 3.432 20 0 EGADMP CCSc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000368366658 458031816 /nfs/dbraw/zinc/03/18/16/458031816.db2.gz GUVCFKITZRFRRE-FXAWDEMLSA-N 2 1 347.572 3.256 20 0 EGADMP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1cc(Cl)ccc1Cl ZINC000358506245 458046260 /nfs/dbraw/zinc/04/62/60/458046260.db2.gz LDZGLUMWMOKOOJ-UHFFFAOYSA-N 2 1 342.270 3.007 20 0 EGADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1cc(Cl)ccc1Cl ZINC000358506245 458046268 /nfs/dbraw/zinc/04/62/68/458046268.db2.gz LDZGLUMWMOKOOJ-UHFFFAOYSA-N 2 1 342.270 3.007 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000358517177 458050846 /nfs/dbraw/zinc/05/08/46/458050846.db2.gz PLQDBPXJAPOAOU-HNNXBMFYSA-N 2 1 349.906 3.359 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000358517177 458050857 /nfs/dbraw/zinc/05/08/57/458050857.db2.gz PLQDBPXJAPOAOU-HNNXBMFYSA-N 2 1 349.906 3.359 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412061474 458074711 /nfs/dbraw/zinc/07/47/11/458074711.db2.gz HRSRBTBLTSTMMJ-KRWDZBQOSA-N 2 1 335.492 3.416 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412061474 458074714 /nfs/dbraw/zinc/07/47/14/458074714.db2.gz HRSRBTBLTSTMMJ-KRWDZBQOSA-N 2 1 335.492 3.416 20 0 EGADMP CC[N@@H+](C)CCN[C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000428226318 458100079 /nfs/dbraw/zinc/10/00/79/458100079.db2.gz GXCDFSGHWNBELW-NJDAHSKKSA-N 2 1 329.532 3.219 20 0 EGADMP CC[NH+](C)CCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000428226318 458100087 /nfs/dbraw/zinc/10/00/87/458100087.db2.gz GXCDFSGHWNBELW-NJDAHSKKSA-N 2 1 329.532 3.219 20 0 EGADMP CC[NH+](C)CCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428226318 458100095 /nfs/dbraw/zinc/10/00/95/458100095.db2.gz GXCDFSGHWNBELW-NJDAHSKKSA-N 2 1 329.532 3.219 20 0 EGADMP CCN(C)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000428226318 458100104 /nfs/dbraw/zinc/10/01/04/458100104.db2.gz GXCDFSGHWNBELW-NJDAHSKKSA-N 2 1 329.532 3.219 20 0 EGADMP CCN(C)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428226318 458100112 /nfs/dbraw/zinc/10/01/12/458100112.db2.gz GXCDFSGHWNBELW-NJDAHSKKSA-N 2 1 329.532 3.219 20 0 EGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000369199326 458120825 /nfs/dbraw/zinc/12/08/25/458120825.db2.gz VEYZXRLYYNGSLU-UXHICEINSA-N 2 1 344.547 3.033 20 0 EGADMP CC[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435381303 458128919 /nfs/dbraw/zinc/12/89/19/458128919.db2.gz SNVUMRMGOHVQNS-AWEZNQCLSA-N 2 1 328.403 3.261 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000435383941 458131160 /nfs/dbraw/zinc/13/11/60/458131160.db2.gz KLPFBTNYYIOGPP-LJQANCHMSA-N 2 1 340.467 3.445 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000435383941 458131164 /nfs/dbraw/zinc/13/11/64/458131164.db2.gz KLPFBTNYYIOGPP-LJQANCHMSA-N 2 1 340.467 3.445 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)c(OC)c2)C1 ZINC000435388177 458132761 /nfs/dbraw/zinc/13/27/61/458132761.db2.gz DNXOOGWLCCWBTN-CQSZACIVSA-N 2 1 346.393 3.068 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)c(OC)c2)C1 ZINC000435388177 458132767 /nfs/dbraw/zinc/13/27/67/458132767.db2.gz DNXOOGWLCCWBTN-CQSZACIVSA-N 2 1 346.393 3.068 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435395992 458135677 /nfs/dbraw/zinc/13/56/77/458135677.db2.gz UAVCLVDEOOKVHN-KRWDZBQOSA-N 2 1 325.456 3.058 20 0 EGADMP CC[C@@H]1C[C@@H](C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000435427292 458145088 /nfs/dbraw/zinc/14/50/88/458145088.db2.gz MEUBDFVIAGLYAG-GVDBMIGSSA-N 2 1 349.544 3.292 20 0 EGADMP Cc1cc(C)cc(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435430792 458145252 /nfs/dbraw/zinc/14/52/52/458145252.db2.gz FSXRIDGMFOHWMO-IBGZPJMESA-N 2 1 338.499 3.181 20 0 EGADMP Cc1cc(C)cc(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435430792 458145257 /nfs/dbraw/zinc/14/52/57/458145257.db2.gz FSXRIDGMFOHWMO-IBGZPJMESA-N 2 1 338.499 3.181 20 0 EGADMP CC1=CC[N@@H+](CCNC(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000412254073 458145877 /nfs/dbraw/zinc/14/58/77/458145877.db2.gz SBDNYNDJWCFCCC-UHFFFAOYSA-N 2 1 341.499 3.054 20 0 EGADMP CCC[C@@H](NC(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435618008 458173981 /nfs/dbraw/zinc/17/39/81/458173981.db2.gz OYFVWEXWSABTHD-RBUKOAKNSA-N 2 1 331.504 3.108 20 0 EGADMP CCC[C@@H](NC(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435618008 458173989 /nfs/dbraw/zinc/17/39/89/458173989.db2.gz OYFVWEXWSABTHD-RBUKOAKNSA-N 2 1 331.504 3.108 20 0 EGADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)ccc1F ZINC000358755426 458195538 /nfs/dbraw/zinc/19/55/38/458195538.db2.gz SNWJLIPGLAUCLP-APWZRJJASA-N 2 1 340.458 3.488 20 0 EGADMP CCn1nc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c2ccccc21 ZINC000372124011 458200286 /nfs/dbraw/zinc/20/02/86/458200286.db2.gz HONQEHAPAWZTAN-MRXNPFEDSA-N 2 1 337.471 3.244 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c(F)c1 ZINC000412561993 458234519 /nfs/dbraw/zinc/23/45/19/458234519.db2.gz VMAZFRAWOGAQNB-GOSISDBHSA-N 2 1 333.451 3.233 20 0 EGADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2cncn2Cc2ccccc2)C[C@@H](C)C1 ZINC000429027450 458260562 /nfs/dbraw/zinc/26/05/62/458260562.db2.gz ZRMMAUPSUJPKOT-OPYAIIAOSA-N 2 1 338.499 3.094 20 0 EGADMP O=C1Nc2ccccc2[C@@H]1C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000372469244 458303226 /nfs/dbraw/zinc/30/32/26/458303226.db2.gz UFHSXMBAWKATGO-FQEVSTJZSA-N 2 1 341.499 3.310 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000429288935 458308042 /nfs/dbraw/zinc/30/80/42/458308042.db2.gz BCAGMLPNYQDKTN-RBUKOAKNSA-N 2 1 331.504 3.166 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(n2)CCCC3)[C@H](C)C1 ZINC000447581447 458316528 /nfs/dbraw/zinc/31/65/28/458316528.db2.gz SYOLKJPUFLSTEV-YLJYHZDGSA-N 2 1 345.531 3.187 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(n2)CCCC3)[C@H](C)C1 ZINC000447581447 458316535 /nfs/dbraw/zinc/31/65/35/458316535.db2.gz SYOLKJPUFLSTEV-YLJYHZDGSA-N 2 1 345.531 3.187 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459326433 458331223 /nfs/dbraw/zinc/33/12/23/458331223.db2.gz MMEFBOUSLZOUSX-MXNKGDRCSA-N 2 1 341.543 3.281 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@@H](Cc2nc(C)no2)c2ccccc2)CC1 ZINC000429452401 458334632 /nfs/dbraw/zinc/33/46/32/458334632.db2.gz QHNMGNWEDDDABH-SFHVURJKSA-N 2 1 328.460 3.126 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CC[C@@H](C)C2)CC1 ZINC000429575746 458347683 /nfs/dbraw/zinc/34/76/83/458347683.db2.gz KZGCNVSABWGUNE-GGPKGHCWSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CC[C@@H](C)C2)CC1 ZINC000429575746 458347687 /nfs/dbraw/zinc/34/76/87/458347687.db2.gz KZGCNVSABWGUNE-GGPKGHCWSA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2N2CCO[C@@H](C)C2)C[C@@H]1C ZINC000459380776 458351792 /nfs/dbraw/zinc/35/17/92/458351792.db2.gz TYKIQXJXNDIUFG-BJLQDIEVSA-N 2 1 345.531 3.216 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2N2CCO[C@@H](C)C2)C[C@@H]1C ZINC000459380776 458351794 /nfs/dbraw/zinc/35/17/94/458351794.db2.gz TYKIQXJXNDIUFG-BJLQDIEVSA-N 2 1 345.531 3.216 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2N2CCO[C@@H](C)C2)C[C@@H]1C ZINC000459380776 458351796 /nfs/dbraw/zinc/35/17/96/458351796.db2.gz TYKIQXJXNDIUFG-BJLQDIEVSA-N 2 1 345.531 3.216 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2N2CCO[C@@H](C)C2)C[C@@H]1C ZINC000459380776 458351798 /nfs/dbraw/zinc/35/17/98/458351798.db2.gz TYKIQXJXNDIUFG-BJLQDIEVSA-N 2 1 345.531 3.216 20 0 EGADMP CS[C@@H]1CCCC[N@@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000429681575 458357792 /nfs/dbraw/zinc/35/77/92/458357792.db2.gz CQVQEABFDFMWKJ-VQTJNVASSA-N 2 1 348.556 3.495 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000459396327 458358725 /nfs/dbraw/zinc/35/87/25/458358725.db2.gz WGMQWWFCJBWETF-CQSZACIVSA-N 2 1 327.472 3.313 20 0 EGADMP c1cc(N2CCC([NH2+]C[C@@H]3CCC[N@H+]3C3CCCCC3)CC2)cc[nH+]1 ZINC000459546393 458407079 /nfs/dbraw/zinc/40/70/79/458407079.db2.gz UWUHQWKSODBMTG-NRFANRHFSA-N 3 1 342.531 3.437 20 0 EGADMP c1cc(N2CCC([NH2+]C[C@@H]3CCCN3C3CCCCC3)CC2)cc[nH+]1 ZINC000459546393 458407083 /nfs/dbraw/zinc/40/70/83/458407083.db2.gz UWUHQWKSODBMTG-NRFANRHFSA-N 2 1 342.531 3.437 20 0 EGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423511556 458447431 /nfs/dbraw/zinc/44/74/31/458447431.db2.gz NLWLAFAPPGYYHZ-XVAXZDLZSA-N 2 1 329.532 3.060 20 0 EGADMP CCOC[C@@H]1CCCC[NH+]1CCC[N@@H+]1CCCC[C@H]1COCC ZINC000459700039 458451539 /nfs/dbraw/zinc/45/15/39/458451539.db2.gz DICDLHFGAGLAES-OALUTQOASA-N 2 1 326.525 3.159 20 0 EGADMP C[C@H]1C[C@@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000423527199 458452497 /nfs/dbraw/zinc/45/24/97/458452497.db2.gz LYMJSDWGUDZDJN-FDTGPBLFSA-N 2 1 349.522 3.385 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H]([NH2+]CCC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423537856 458455326 /nfs/dbraw/zinc/45/53/26/458455326.db2.gz LEJQSLCIROATBD-YPAWHYETSA-N 3 1 339.527 3.187 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000430574366 458463952 /nfs/dbraw/zinc/46/39/52/458463952.db2.gz SFTKJKLBPQVXDW-YQQAZPJKSA-N 2 1 325.456 3.226 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000430574366 458463956 /nfs/dbraw/zinc/46/39/56/458463956.db2.gz SFTKJKLBPQVXDW-YQQAZPJKSA-N 2 1 325.456 3.226 20 0 EGADMP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1OC ZINC000459740982 458465098 /nfs/dbraw/zinc/46/50/98/458465098.db2.gz UTHYQGFINQHOND-ZDUSSCGKSA-N 2 1 326.868 3.179 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(F)ccc2Br)C1 ZINC000459744770 458465860 /nfs/dbraw/zinc/46/58/60/458465860.db2.gz XURMRAHZJKPNEJ-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC000459745904 458466508 /nfs/dbraw/zinc/46/65/08/458466508.db2.gz YTWFMAPBVQVZJU-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430617771 458471871 /nfs/dbraw/zinc/47/18/71/458471871.db2.gz OWAOEYXPPPBFNY-GVDBMIGSSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430617771 458471875 /nfs/dbraw/zinc/47/18/75/458471875.db2.gz OWAOEYXPPPBFNY-GVDBMIGSSA-N 2 1 339.483 3.076 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000430625558 458472891 /nfs/dbraw/zinc/47/28/91/458472891.db2.gz QHPNPLQPFXFUST-SFHVURJKSA-N 2 1 325.456 3.092 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000430625558 458472897 /nfs/dbraw/zinc/47/28/97/458472897.db2.gz QHPNPLQPFXFUST-SFHVURJKSA-N 2 1 325.456 3.092 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)c1OC ZINC000459792561 458480137 /nfs/dbraw/zinc/48/01/37/458480137.db2.gz SKKZQXIHPBINOE-WBVHZDCISA-N 2 1 334.504 3.265 20 0 EGADMP C[NH2+]C[C@H]1CC[N@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC000430928768 458506465 /nfs/dbraw/zinc/50/64/65/458506465.db2.gz MHMNJFHIGULRKN-QGZVFWFLSA-N 2 1 326.440 3.399 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC000430928768 458506470 /nfs/dbraw/zinc/50/64/70/458506470.db2.gz MHMNJFHIGULRKN-QGZVFWFLSA-N 2 1 326.440 3.399 20 0 EGADMP CCCc1cc(N2CCC[N@H+]([C@@H](C)CO)CC2)c2ccccc2[nH+]1 ZINC000468750355 458533751 /nfs/dbraw/zinc/53/37/51/458533751.db2.gz YNAPNWMPOCQENG-INIZCTEOSA-N 2 1 327.472 3.080 20 0 EGADMP c1nc2cnccn2c1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000377817070 458538791 /nfs/dbraw/zinc/53/87/91/458538791.db2.gz OXSOUJNBONSYFB-LJQANCHMSA-N 2 1 349.482 3.121 20 0 EGADMP c1nc2cnccn2c1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000377817070 458538802 /nfs/dbraw/zinc/53/88/02/458538802.db2.gz OXSOUJNBONSYFB-LJQANCHMSA-N 2 1 349.482 3.121 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]CC[C@H]1CCOC1 ZINC000438190317 458547336 /nfs/dbraw/zinc/54/73/36/458547336.db2.gz OGEXXUXSZSAPQH-KRWDZBQOSA-N 2 1 328.456 3.428 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000461225977 458552360 /nfs/dbraw/zinc/55/23/60/458552360.db2.gz KXDAWVGKSBVFOC-ZIFCJYIRSA-N 2 1 348.535 3.097 20 0 EGADMP [NH3+][C@@H](CCC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)CC1CCCCC1 ZINC000424155585 458573078 /nfs/dbraw/zinc/57/30/78/458573078.db2.gz MXPZDYZDIJOZJQ-ZWKOTPCHSA-N 2 1 335.536 3.197 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438546581 458594969 /nfs/dbraw/zinc/59/49/69/458594969.db2.gz PVYRVCCLEUVSIY-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000438546581 458594974 /nfs/dbraw/zinc/59/49/74/458594974.db2.gz PVYRVCCLEUVSIY-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000438546581 458594978 /nfs/dbraw/zinc/59/49/78/458594978.db2.gz PVYRVCCLEUVSIY-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1CCOc1ccc(Cl)c(F)c1)CC[NH2+]CC2 ZINC000424290539 458604973 /nfs/dbraw/zinc/60/49/73/458604973.db2.gz MUOKKESHDZNNKY-CYBMUJFWSA-N 2 1 326.843 3.322 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297412 458607512 /nfs/dbraw/zinc/60/75/12/458607512.db2.gz SOAPJVNNPPSFEO-AWEZNQCLSA-N 2 1 335.879 3.051 20 0 EGADMP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424295871 458607694 /nfs/dbraw/zinc/60/76/94/458607694.db2.gz RMYKPKMFIHRRTA-CQSZACIVSA-N 2 1 325.456 3.123 20 0 EGADMP [NH3+]C[C@H](CN1CCC[N@@H+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000424306203 458610642 /nfs/dbraw/zinc/61/06/42/458610642.db2.gz UNMKJLCDFPWIGS-HXUWFJFHSA-N 2 1 341.474 3.076 20 0 EGADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302466 458610687 /nfs/dbraw/zinc/61/06/87/458610687.db2.gz ZOPXTDZHAQEKLM-HNNXBMFYSA-N 2 1 330.472 3.252 20 0 EGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000424365067 458626598 /nfs/dbraw/zinc/62/65/98/458626598.db2.gz GCERFODWUJIYTI-HUUCEWRRSA-N 2 1 338.377 3.251 20 0 EGADMP CCCOc1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1OC ZINC000424376284 458628977 /nfs/dbraw/zinc/62/89/77/458628977.db2.gz KVYHPZBNWKFCBC-MRXNPFEDSA-N 2 1 332.488 3.448 20 0 EGADMP CCCn1c2ccccc2nc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424383747 458629973 /nfs/dbraw/zinc/62/99/73/458629973.db2.gz ULZKVYYMHBTLPL-MRXNPFEDSA-N 2 1 326.488 3.410 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000439000820 458640716 /nfs/dbraw/zinc/64/07/16/458640716.db2.gz XGDVDMSODFTUMV-NVXWUHKLSA-N 2 1 347.503 3.425 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000439000820 458640718 /nfs/dbraw/zinc/64/07/18/458640718.db2.gz XGDVDMSODFTUMV-NVXWUHKLSA-N 2 1 347.503 3.425 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000439000820 458640724 /nfs/dbraw/zinc/64/07/24/458640724.db2.gz XGDVDMSODFTUMV-NVXWUHKLSA-N 2 1 347.503 3.425 20 0 EGADMP COc1cc(C)c(C[C@@H](C)[NH2+]CC[N@H+](C)C2CCCC2)cc1OC ZINC000502255723 458642079 /nfs/dbraw/zinc/64/20/79/458642079.db2.gz NLQOLTDVTHABHF-MRXNPFEDSA-N 2 1 334.504 3.407 20 0 EGADMP COc1cc(C)c(C[C@@H](C)[NH2+]CC[N@@H+](C)C2CCCC2)cc1OC ZINC000502255723 458642083 /nfs/dbraw/zinc/64/20/83/458642083.db2.gz NLQOLTDVTHABHF-MRXNPFEDSA-N 2 1 334.504 3.407 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC000439066809 458648750 /nfs/dbraw/zinc/64/87/50/458648750.db2.gz DSZJKZDTPXDOGX-ZBFHGGJFSA-N 2 1 333.476 3.036 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC000439066809 458648756 /nfs/dbraw/zinc/64/87/56/458648756.db2.gz DSZJKZDTPXDOGX-ZBFHGGJFSA-N 2 1 333.476 3.036 20 0 EGADMP C[C@H](C(=O)Nc1cccc(Cl)c1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470979803 458672846 /nfs/dbraw/zinc/67/28/46/458672846.db2.gz PAQPROYINHMTCQ-ZBFHGGJFSA-N 2 1 349.906 3.331 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503378030 458704209 /nfs/dbraw/zinc/70/42/09/458704209.db2.gz MWZTZNBQIBLUEV-LJQANCHMSA-N 2 1 327.516 3.388 20 0 EGADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc2cccnc12 ZINC000432368582 458725376 /nfs/dbraw/zinc/72/53/76/458725376.db2.gz MVEOQNXOIUMJQO-QGZVFWFLSA-N 2 1 327.472 3.134 20 0 EGADMP Cc1ccc2[nH]c(C[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)cc2c1C ZINC000432369481 458726173 /nfs/dbraw/zinc/72/61/73/458726173.db2.gz VWWSYQMMVOEMFP-INIZCTEOSA-N 2 1 329.488 3.375 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cnn1C(C)(C)C ZINC000432415007 458735173 /nfs/dbraw/zinc/73/51/73/458735173.db2.gz BDZVBWIRKMALDM-JKSUJKDBSA-N 2 1 336.524 3.098 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cnn1C(C)(C)C ZINC000432415007 458735182 /nfs/dbraw/zinc/73/51/82/458735182.db2.gz BDZVBWIRKMALDM-JKSUJKDBSA-N 2 1 336.524 3.098 20 0 EGADMP Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)oc1C ZINC000471850636 458742995 /nfs/dbraw/zinc/74/29/95/458742995.db2.gz ZYNYBPARJXOXNI-RTBURBONSA-N 2 1 327.472 3.464 20 0 EGADMP Cc1nc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)oc1C ZINC000471850636 458742999 /nfs/dbraw/zinc/74/29/99/458742999.db2.gz ZYNYBPARJXOXNI-RTBURBONSA-N 2 1 327.472 3.464 20 0 EGADMP CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000472092416 458767004 /nfs/dbraw/zinc/76/70/04/458767004.db2.gz BYOAFNCNSMGBIM-QZTJIDSGSA-N 2 1 340.556 3.013 20 0 EGADMP CCc1ccccc1NC(=O)[C@@H](C)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472452297 458797760 /nfs/dbraw/zinc/79/77/60/458797760.db2.gz XJWIBYRGQUFWDX-AEFFLSMTSA-N 2 1 343.515 3.240 20 0 EGADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440273346 458800096 /nfs/dbraw/zinc/80/00/96/458800096.db2.gz XPGIANPFFBEKCW-HXUWFJFHSA-N 2 1 347.547 3.307 20 0 EGADMP C[C@H]([NH2+]CCCCn1ccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828537 458800670 /nfs/dbraw/zinc/80/06/70/458800670.db2.gz ZHIXZBSVHLNYBO-AZUAARDMSA-N 2 1 326.488 3.164 20 0 EGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000518349113 458860123 /nfs/dbraw/zinc/86/01/23/458860123.db2.gz TVZXXSSSILUNGD-QAPCUYQASA-N 2 1 347.484 3.121 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCc1cccc(N2CCC2=O)c1 ZINC000441198127 458899154 /nfs/dbraw/zinc/89/91/54/458899154.db2.gz AYJLSYBFXUULOA-LAUBAEHRSA-N 2 1 349.478 3.033 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCc1cccc(N2CCC2=O)c1 ZINC000441198127 458899160 /nfs/dbraw/zinc/89/91/60/458899160.db2.gz AYJLSYBFXUULOA-LAUBAEHRSA-N 2 1 349.478 3.033 20 0 EGADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000441332347 458921430 /nfs/dbraw/zinc/92/14/30/458921430.db2.gz QYCOFXVHQMVKPL-WMLDXEAASA-N 2 1 337.895 3.473 20 0 EGADMP CCOc1ccccc1C[N@@H+]1CCN(CC[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000441365658 458928568 /nfs/dbraw/zinc/92/85/68/458928568.db2.gz LLNRVEPXGVHRAA-ICSRJNTNSA-N 2 1 345.531 3.076 20 0 EGADMP CCOc1ccccc1C[N@H+]1CCN(CC[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000441365658 458928572 /nfs/dbraw/zinc/92/85/72/458928572.db2.gz LLNRVEPXGVHRAA-ICSRJNTNSA-N 2 1 345.531 3.076 20 0 EGADMP CCOc1ccccc1C[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000441365658 458928579 /nfs/dbraw/zinc/92/85/79/458928579.db2.gz LLNRVEPXGVHRAA-ICSRJNTNSA-N 2 1 345.531 3.076 20 0 EGADMP CCOc1ccccc1C[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000441365658 458928585 /nfs/dbraw/zinc/92/85/85/458928585.db2.gz LLNRVEPXGVHRAA-ICSRJNTNSA-N 2 1 345.531 3.076 20 0 EGADMP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000576864180 458936664 /nfs/dbraw/zinc/93/66/64/458936664.db2.gz PYDYTHMSFQMBJZ-RXVVDRJESA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000576864180 458936669 /nfs/dbraw/zinc/93/66/69/458936669.db2.gz PYDYTHMSFQMBJZ-RXVVDRJESA-N 2 1 329.532 3.219 20 0 EGADMP CCCCN(C(=O)Cn1cc[nH+]c1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000457515759 458985270 /nfs/dbraw/zinc/98/52/70/458985270.db2.gz BOJXFTIODGODJN-UHFFFAOYSA-N 2 1 334.508 3.129 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000468046368 458999835 /nfs/dbraw/zinc/99/98/35/458999835.db2.gz CLDJSKMKENTTOH-XHDPSFHLSA-N 2 1 336.277 3.360 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000468046368 458999836 /nfs/dbraw/zinc/99/98/36/458999836.db2.gz CLDJSKMKENTTOH-XHDPSFHLSA-N 2 1 336.277 3.360 20 0 EGADMP CC(C)(C)OC(=O)NC1CCC([NH2+]CC[N@@H+]2CCCC2(C)C)CC1 ZINC000495913768 459002920 /nfs/dbraw/zinc/00/29/20/459002920.db2.gz RDGASUSCWNZCHX-UHFFFAOYSA-N 2 1 339.524 3.286 20 0 EGADMP CC(C)(C)OC(=O)NC1CCC([NH2+]CC[N@H+]2CCCC2(C)C)CC1 ZINC000495913768 459002924 /nfs/dbraw/zinc/00/29/24/459002924.db2.gz RDGASUSCWNZCHX-UHFFFAOYSA-N 2 1 339.524 3.286 20 0 EGADMP CC[N@H+]1CC[C@@H](NCc2ccc(OC(F)F)c(OC)c2)[C@H](C)C1 ZINC000531945283 459005193 /nfs/dbraw/zinc/00/51/93/459005193.db2.gz USQKBSLGPRFXCG-TZMCWYRMSA-N 2 1 328.403 3.117 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(OC)c2)[C@H](C)C1 ZINC000531945283 459005206 /nfs/dbraw/zinc/00/52/06/459005206.db2.gz USQKBSLGPRFXCG-TZMCWYRMSA-N 2 1 328.403 3.117 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2)n1 ZINC000566858637 459012697 /nfs/dbraw/zinc/01/26/97/459012697.db2.gz SJEMAOAMNRAOIW-VQTJNVASSA-N 2 1 338.499 3.311 20 0 EGADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000566985353 459031609 /nfs/dbraw/zinc/03/16/09/459031609.db2.gz GMDNOGNJKVRRLR-ZCNNSNEGSA-N 2 1 329.532 3.319 20 0 EGADMP CC(C)(C)[C@H](CN1CCc2ccccc2C1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000566985353 459031612 /nfs/dbraw/zinc/03/16/12/459031612.db2.gz GMDNOGNJKVRRLR-ZCNNSNEGSA-N 2 1 329.532 3.319 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1C ZINC000556923554 459032613 /nfs/dbraw/zinc/03/26/13/459032613.db2.gz LGTBDHMDAALERW-AEFFLSMTSA-N 2 1 331.504 3.485 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1C ZINC000556923554 459032618 /nfs/dbraw/zinc/03/26/18/459032618.db2.gz LGTBDHMDAALERW-AEFFLSMTSA-N 2 1 331.504 3.485 20 0 EGADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000442810579 459041377 /nfs/dbraw/zinc/04/13/77/459041377.db2.gz MRIGONYSZPOZEI-WHZJULEDSA-N 2 1 328.500 3.444 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000496064307 459053072 /nfs/dbraw/zinc/05/30/72/459053072.db2.gz JVSSUUDFZHOSRZ-IKGGRYGDSA-N 2 1 339.524 3.144 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442918943 459059874 /nfs/dbraw/zinc/05/98/74/459059874.db2.gz IKJBYEXECXVPNG-INIZCTEOSA-N 2 1 330.451 3.189 20 0 EGADMP CC[C@@H]1CCCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC000567247828 459074209 /nfs/dbraw/zinc/07/42/09/459074209.db2.gz SGSWBGPSNQCMON-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1cccs1 ZINC000443057673 459079715 /nfs/dbraw/zinc/07/97/15/459079715.db2.gz HRISJFMVMZFHCF-YOEHRIQHSA-N 2 1 337.533 3.012 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1)c1cc2ccccc2o1 ZINC000443058137 459080066 /nfs/dbraw/zinc/08/00/66/459080066.db2.gz JLDQODDJVWEEOV-JYJNAYRXSA-N 2 1 343.471 3.059 20 0 EGADMP CSCc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000594525637 459080799 /nfs/dbraw/zinc/08/07/99/459080799.db2.gz XPTCNTWTKDZSSI-LJQANCHMSA-N 2 1 334.529 3.283 20 0 EGADMP CC[C@H]1CCC[C@@H]1CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000567406717 459101535 /nfs/dbraw/zinc/10/15/35/459101535.db2.gz PZQAYQBGSOUOCL-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](Cc1ccccc1NC[C@H](O)C[N@H+](C)C1CC1)C1CCCCC1 ZINC000577842057 459105399 /nfs/dbraw/zinc/10/53/99/459105399.db2.gz HDHIUJXKBUVRPI-FQEVSTJZSA-N 2 1 345.531 3.318 20 0 EGADMP C[NH+](C[C@@H](O)CNc1ccccc1C[N@H+](C)C1CCCCC1)C1CC1 ZINC000577842057 459105401 /nfs/dbraw/zinc/10/54/01/459105401.db2.gz HDHIUJXKBUVRPI-FQEVSTJZSA-N 2 1 345.531 3.318 20 0 EGADMP C[NH+](C[C@@H](O)CNc1ccccc1C[N@@H+](C)C1CCCCC1)C1CC1 ZINC000577842057 459105404 /nfs/dbraw/zinc/10/54/04/459105404.db2.gz HDHIUJXKBUVRPI-FQEVSTJZSA-N 2 1 345.531 3.318 20 0 EGADMP CCC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000567730136 459156014 /nfs/dbraw/zinc/15/60/14/459156014.db2.gz RCSLJUHCDLZJKU-KSZLIROESA-N 2 1 345.531 3.169 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000532949785 459165210 /nfs/dbraw/zinc/16/52/10/459165210.db2.gz HHVHHKTULXPVCY-UHFFFAOYSA-N 2 1 335.467 3.207 20 0 EGADMP C[N@@H+](CCC[NH3+])Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000567864893 459180310 /nfs/dbraw/zinc/18/03/10/459180310.db2.gz YAOFPVPDTHUKBP-UHFFFAOYSA-N 2 1 340.496 3.441 20 0 EGADMP C[C@H](NCC1([NH+](C)C)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480133602 459183643 /nfs/dbraw/zinc/18/36/43/459183643.db2.gz FAFFPEFYZNIQED-KRWDZBQOSA-N 2 1 333.520 3.152 20 0 EGADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000590786918 459218612 /nfs/dbraw/zinc/21/86/12/459218612.db2.gz SVPWQRIUZBSLPG-HXUWFJFHSA-N 2 1 348.531 3.095 20 0 EGADMP CCOc1ccccc1NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590787186 459219356 /nfs/dbraw/zinc/21/93/56/459219356.db2.gz ZNRINTMAMFWFEJ-UHFFFAOYSA-N 2 1 347.503 3.076 20 0 EGADMP CCOc1ccccc1NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590787186 459219365 /nfs/dbraw/zinc/21/93/65/459219365.db2.gz ZNRINTMAMFWFEJ-UHFFFAOYSA-N 2 1 347.503 3.076 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2csc(-c3ncccn3)n2)CC1 ZINC000590786295 459219729 /nfs/dbraw/zinc/21/97/29/459219729.db2.gz NLSVYTYCSKZWFZ-UHFFFAOYSA-N 2 1 345.516 3.152 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2csc(-c3ncccn3)n2)CC1 ZINC000590786295 459219732 /nfs/dbraw/zinc/21/97/32/459219732.db2.gz NLSVYTYCSKZWFZ-UHFFFAOYSA-N 2 1 345.516 3.152 20 0 EGADMP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000590786917 459219931 /nfs/dbraw/zinc/21/99/31/459219931.db2.gz SVPWQRIUZBSLPG-FQEVSTJZSA-N 2 1 348.531 3.095 20 0 EGADMP CC1CC[NH+]([C@H](CN[C@H]2CC[N@@H+](C)C[C@H]2C)c2ccccc2)CC1 ZINC000481032676 459230014 /nfs/dbraw/zinc/23/00/14/459230014.db2.gz CRQHYIYOCPGFDG-HLAWJBBLSA-N 2 1 329.532 3.389 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000496537078 459231374 /nfs/dbraw/zinc/23/13/74/459231374.db2.gz CNTUCDVRRMUPCK-DLBZAZTESA-N 2 1 341.540 3.057 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000496537078 459231380 /nfs/dbraw/zinc/23/13/80/459231380.db2.gz CNTUCDVRRMUPCK-DLBZAZTESA-N 2 1 341.540 3.057 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000496537078 459231384 /nfs/dbraw/zinc/23/13/84/459231384.db2.gz CNTUCDVRRMUPCK-DLBZAZTESA-N 2 1 341.540 3.057 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccccc3Cl)CC2)CC1 ZINC000568185093 459242245 /nfs/dbraw/zinc/24/22/45/459242245.db2.gz UIXXAAGNWATGRK-UHFFFAOYSA-N 2 1 349.906 3.475 20 0 EGADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000559842558 459279995 /nfs/dbraw/zinc/27/99/95/459279995.db2.gz JZFQKJPWJYDNLL-YPAWHYETSA-N 2 1 338.495 3.324 20 0 EGADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000559842558 459280001 /nfs/dbraw/zinc/28/00/01/459280001.db2.gz JZFQKJPWJYDNLL-YPAWHYETSA-N 2 1 338.495 3.324 20 0 EGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000482749030 459322689 /nfs/dbraw/zinc/32/26/89/459322689.db2.gz YVNFLIGQQIZTGO-JXXFODFXSA-N 2 1 334.479 3.132 20 0 EGADMP CC[C@H](CCO)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000560524980 459366556 /nfs/dbraw/zinc/36/65/56/459366556.db2.gz TWFJIGULOMCVJY-JSXRDJHFSA-N 2 1 330.516 3.428 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CCC2 ZINC000591582962 459407677 /nfs/dbraw/zinc/40/76/77/459407677.db2.gz VOKDQTCYARPLHH-LSDHHAIUSA-N 2 1 346.471 3.406 20 0 EGADMP CC[N@@H+]1C[C@H](N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000484503839 459417552 /nfs/dbraw/zinc/41/75/52/459417552.db2.gz SWPAVZLSWJWZJZ-GCGJSEPQSA-N 2 1 329.532 3.073 20 0 EGADMP CC[NH+]1C[C@H](N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000484503839 459417556 /nfs/dbraw/zinc/41/75/56/459417556.db2.gz SWPAVZLSWJWZJZ-GCGJSEPQSA-N 2 1 329.532 3.073 20 0 EGADMP CC[NH+]1C[C@H](N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000484503839 459417560 /nfs/dbraw/zinc/41/75/60/459417560.db2.gz SWPAVZLSWJWZJZ-GCGJSEPQSA-N 2 1 329.532 3.073 20 0 EGADMP CCN1C[C@H]([NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000484503839 459417564 /nfs/dbraw/zinc/41/75/64/459417564.db2.gz SWPAVZLSWJWZJZ-GCGJSEPQSA-N 2 1 329.532 3.073 20 0 EGADMP CCN1C[C@H]([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000484503839 459417567 /nfs/dbraw/zinc/41/75/67/459417567.db2.gz SWPAVZLSWJWZJZ-GCGJSEPQSA-N 2 1 329.532 3.073 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000591717211 459425396 /nfs/dbraw/zinc/42/53/96/459425396.db2.gz UUDIRHSJYTZIER-UHFFFAOYSA-N 2 1 345.462 3.203 20 0 EGADMP CCS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000591749660 459428873 /nfs/dbraw/zinc/42/88/73/459428873.db2.gz ILFYBWZCFVMKFW-GUDVDZBRSA-N 2 1 336.545 3.133 20 0 EGADMP CCS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000591749660 459428879 /nfs/dbraw/zinc/42/88/79/459428879.db2.gz ILFYBWZCFVMKFW-GUDVDZBRSA-N 2 1 336.545 3.133 20 0 EGADMP CC(C)c1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000484781859 459432046 /nfs/dbraw/zinc/43/20/46/459432046.db2.gz YKBFRFHVTWKVFC-HBMCJLEFSA-N 2 1 330.516 3.489 20 0 EGADMP COc1cccc([C@H](C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])N2CCCC2)c1 ZINC000569349528 459436602 /nfs/dbraw/zinc/43/66/02/459436602.db2.gz JGQMEROBFGOGLE-ZCNNSNEGSA-N 2 1 331.504 3.082 20 0 EGADMP COc1cccc([C@H](C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])N2CCCC2)c1 ZINC000569349527 459436674 /nfs/dbraw/zinc/43/66/74/459436674.db2.gz JGQMEROBFGOGLE-UFYCRDLUSA-N 2 1 331.504 3.082 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000541348896 459448714 /nfs/dbraw/zinc/44/87/14/459448714.db2.gz JHFWTIWBCOATBW-UYAOXDASSA-N 2 1 347.934 3.428 20 0 EGADMP C/C(=C/c1ccccc1)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000525460442 459458487 /nfs/dbraw/zinc/45/84/87/459458487.db2.gz AUSDLFWHRCZWCO-PZNLSKEWSA-N 2 1 336.479 3.317 20 0 EGADMP C/C(=C/c1ccccc1)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000525460442 459458491 /nfs/dbraw/zinc/45/84/91/459458491.db2.gz AUSDLFWHRCZWCO-PZNLSKEWSA-N 2 1 336.479 3.317 20 0 EGADMP CC1(C)CC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000541544307 459464841 /nfs/dbraw/zinc/46/48/41/459464841.db2.gz QOLGLZSRUNPHTL-RTBURBONSA-N 2 1 343.515 3.052 20 0 EGADMP COCC[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(F)c(Cl)c1 ZINC000583213119 459502545 /nfs/dbraw/zinc/50/25/45/459502545.db2.gz ZTPWHPOUDLINFN-UHFFFAOYSA-N 2 1 339.842 3.294 20 0 EGADMP COCC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(F)c(Cl)c1 ZINC000583213119 459502549 /nfs/dbraw/zinc/50/25/49/459502549.db2.gz ZTPWHPOUDLINFN-UHFFFAOYSA-N 2 1 339.842 3.294 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([S@](C)=O)cc1 ZINC000596095408 459518767 /nfs/dbraw/zinc/51/87/67/459518767.db2.gz QDJDJUAOQMHUPG-YGJVYZRNSA-N 2 1 334.529 3.197 20 0 EGADMP CCC[C@H]1CCCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000583390010 459531068 /nfs/dbraw/zinc/53/10/68/459531068.db2.gz CFSSDYFVPTVQLN-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@@H+](C)CCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000497433608 459535976 /nfs/dbraw/zinc/53/59/76/459535976.db2.gz GSQZWMVELABPCD-MJGOQNOKSA-N 2 1 348.535 3.017 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C/C=C/c3ccc(Cl)cc3)C2)CC1 ZINC000526055932 459540413 /nfs/dbraw/zinc/54/04/13/459540413.db2.gz MSKLDCHWAYBDSO-YADGQWAMSA-N 2 1 347.934 3.454 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000569985936 459542668 /nfs/dbraw/zinc/54/26/68/459542668.db2.gz LHOLGZDKZPZGEO-PXNSSMCTSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000572929193 459596383 /nfs/dbraw/zinc/59/63/83/459596383.db2.gz SAYCZRKCMGXJFA-XCDZQEORSA-N 2 1 332.536 3.402 20 0 EGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000572929193 459596388 /nfs/dbraw/zinc/59/63/88/459596388.db2.gz SAYCZRKCMGXJFA-XCDZQEORSA-N 2 1 332.536 3.402 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1Cl ZINC000583791323 459596805 /nfs/dbraw/zinc/59/68/05/459596805.db2.gz FEIOGYLQPFFXGN-CQSZACIVSA-N 2 1 339.911 3.025 20 0 EGADMP Fc1ccc(OCC[NH+]2CCC(Nc3cc[nH+]cc3Cl)CC2)cc1 ZINC000499150458 459622998 /nfs/dbraw/zinc/62/29/98/459622998.db2.gz IPYDGECRQIKCHK-UHFFFAOYSA-N 2 1 349.837 3.251 20 0 EGADMP CCc1nn(C)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499173326 459624756 /nfs/dbraw/zinc/62/47/56/459624756.db2.gz XLYUDIKBBPJMCB-OWZKRDHZSA-N 2 1 338.499 3.268 20 0 EGADMP CCc1nn(C)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499173326 459624762 /nfs/dbraw/zinc/62/47/62/459624762.db2.gz XLYUDIKBBPJMCB-OWZKRDHZSA-N 2 1 338.499 3.268 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCSC2CCCCC2)C1 ZINC000500126668 459666127 /nfs/dbraw/zinc/66/61/27/459666127.db2.gz UHTHBCRNGGBWCZ-KRWDZBQOSA-N 2 1 328.566 3.485 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000573594162 459702754 /nfs/dbraw/zinc/70/27/54/459702754.db2.gz XFBQJEJYZZUSSP-WAOWUJCRSA-N 2 1 336.435 3.274 20 0 EGADMP c1ccc(COc2cccc(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)nc1 ZINC000596639266 459709272 /nfs/dbraw/zinc/70/92/72/459709272.db2.gz PYAWNVOMTQDVEW-QUCCMNQESA-N 2 1 337.467 3.377 20 0 EGADMP c1ccc(COc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)nc1 ZINC000596639266 459709275 /nfs/dbraw/zinc/70/92/75/459709275.db2.gz PYAWNVOMTQDVEW-QUCCMNQESA-N 2 1 337.467 3.377 20 0 EGADMP c1ccc(COc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)nc1 ZINC000596639266 459709278 /nfs/dbraw/zinc/70/92/78/459709278.db2.gz PYAWNVOMTQDVEW-QUCCMNQESA-N 2 1 337.467 3.377 20 0 EGADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)O[C@H](C)C2 ZINC000596675059 459723533 /nfs/dbraw/zinc/72/35/33/459723533.db2.gz QCMHAIAUHPGQOO-CVEARBPZSA-N 2 1 332.488 3.229 20 0 EGADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)O[C@H](C)C2 ZINC000596675059 459723538 /nfs/dbraw/zinc/72/35/38/459723538.db2.gz QCMHAIAUHPGQOO-CVEARBPZSA-N 2 1 332.488 3.229 20 0 EGADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000573727700 459724945 /nfs/dbraw/zinc/72/49/45/459724945.db2.gz RLVJFGQRAPWCPB-SJORKVTESA-N 2 1 339.483 3.174 20 0 EGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000563214847 459740362 /nfs/dbraw/zinc/74/03/62/459740362.db2.gz AVSJROWMZPUSNM-NVXWUHKLSA-N 2 1 341.455 3.090 20 0 EGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000563214847 459740365 /nfs/dbraw/zinc/74/03/65/459740365.db2.gz AVSJROWMZPUSNM-NVXWUHKLSA-N 2 1 341.455 3.090 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000501784201 459743630 /nfs/dbraw/zinc/74/36/30/459743630.db2.gz CXESEBBYKSSNAG-OALUTQOASA-N 2 1 336.907 3.194 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000501784201 459743632 /nfs/dbraw/zinc/74/36/32/459743632.db2.gz CXESEBBYKSSNAG-OALUTQOASA-N 2 1 336.907 3.194 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000501784201 459743637 /nfs/dbraw/zinc/74/36/37/459743637.db2.gz CXESEBBYKSSNAG-OALUTQOASA-N 2 1 336.907 3.194 20 0 EGADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000574071356 459775887 /nfs/dbraw/zinc/77/58/87/459775887.db2.gz FICZVVKMTVGZHC-PMACEKPBSA-N 2 1 348.531 3.287 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000566017200 459793706 /nfs/dbraw/zinc/79/37/06/459793706.db2.gz ACJOVFGYGQTISW-CZUORRHYSA-N 2 1 330.863 3.417 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000566017200 459793711 /nfs/dbraw/zinc/79/37/11/459793711.db2.gz ACJOVFGYGQTISW-CZUORRHYSA-N 2 1 330.863 3.417 20 0 EGADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000584782880 459801735 /nfs/dbraw/zinc/80/17/35/459801735.db2.gz VBSZHOSRZKGJLW-YPAWHYETSA-N 2 1 335.495 3.146 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000586755768 459864031 /nfs/dbraw/zinc/86/40/31/459864031.db2.gz ZQXBOHKFIDLOTN-OAGGEKHMSA-N 2 1 340.471 3.058 20 0 EGADMP COC(=O)c1coc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000608832241 459889193 /nfs/dbraw/zinc/88/91/93/459889193.db2.gz HJZUGMJRIWOPPX-UHFFFAOYSA-N 2 1 334.460 3.154 20 0 EGADMP CC(C)C[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000621502487 459934416 /nfs/dbraw/zinc/93/44/16/459934416.db2.gz XFAPQPIXTNRFMZ-VQIMIIECSA-N 2 1 331.504 3.051 20 0 EGADMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602556772 459995943 /nfs/dbraw/zinc/99/59/43/459995943.db2.gz MPWBJSUQADIWAK-ZIFCJYIRSA-N 2 1 334.529 3.058 20 0 EGADMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602556772 459995947 /nfs/dbraw/zinc/99/59/47/459995947.db2.gz MPWBJSUQADIWAK-ZIFCJYIRSA-N 2 1 334.529 3.058 20 0 EGADMP COC(=O)c1csc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000602651020 460042928 /nfs/dbraw/zinc/04/29/28/460042928.db2.gz URMRBEPPRIAISA-INIZCTEOSA-N 2 1 344.480 3.146 20 0 EGADMP COC(=O)c1csc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000602651020 460042937 /nfs/dbraw/zinc/04/29/37/460042937.db2.gz URMRBEPPRIAISA-INIZCTEOSA-N 2 1 344.480 3.146 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)c2ccccc21 ZINC000621748506 460045961 /nfs/dbraw/zinc/04/59/61/460045961.db2.gz HRSCSKGOPVZGKD-APWZRJJASA-N 2 1 329.488 3.338 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)c2ccccc21 ZINC000621748506 460045967 /nfs/dbraw/zinc/04/59/67/460045967.db2.gz HRSCSKGOPVZGKD-APWZRJJASA-N 2 1 329.488 3.338 20 0 EGADMP COC(=O)CC1CCC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000599019454 460128478 /nfs/dbraw/zinc/12/84/78/460128478.db2.gz KZQBKDRSIIQPMH-UHFFFAOYSA-N 2 1 344.499 3.146 20 0 EGADMP COC(=O)CC1CCC([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000599019454 460128479 /nfs/dbraw/zinc/12/84/79/460128479.db2.gz KZQBKDRSIIQPMH-UHFFFAOYSA-N 2 1 344.499 3.146 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H](NC[C@H]1CCCC[N@@H+](C)C1)CCC2 ZINC000599071663 460151403 /nfs/dbraw/zinc/15/14/03/460151403.db2.gz SBGWTPDHROINOT-HZPDHXFCSA-N 2 1 348.487 3.464 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)CCC2 ZINC000599071663 460151408 /nfs/dbraw/zinc/15/14/08/460151408.db2.gz SBGWTPDHROINOT-HZPDHXFCSA-N 2 1 348.487 3.464 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)CCC2 ZINC000599071663 460151413 /nfs/dbraw/zinc/15/14/13/460151413.db2.gz SBGWTPDHROINOT-HZPDHXFCSA-N 2 1 348.487 3.464 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000599311620 460226574 /nfs/dbraw/zinc/22/65/74/460226574.db2.gz ZFLRWTMUBGWTCF-YLJYHZDGSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000599311620 460226578 /nfs/dbraw/zinc/22/65/78/460226578.db2.gz ZFLRWTMUBGWTCF-YLJYHZDGSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000599311620 460226580 /nfs/dbraw/zinc/22/65/80/460226580.db2.gz ZFLRWTMUBGWTCF-YLJYHZDGSA-N 2 1 343.515 3.019 20 0 EGADMP COC(=O)CCCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000599426242 460250118 /nfs/dbraw/zinc/25/01/18/460250118.db2.gz AAMQXENSJZIAKX-UHFFFAOYSA-N 2 1 344.499 3.318 20 0 EGADMP CC(C)=C[C@H]1[C@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1(C)C ZINC000619176723 460290419 /nfs/dbraw/zinc/29/04/19/460290419.db2.gz IJMZLPAELJRHLH-MAUKXSAKSA-N 2 1 342.487 3.010 20 0 EGADMP C[C@@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)CC(C)(C)C ZINC000619176583 460290600 /nfs/dbraw/zinc/29/06/00/460290600.db2.gz DRICCDFKXPLNEA-HNNXBMFYSA-N 2 1 332.492 3.234 20 0 EGADMP COC[C@@H](C)[N@H+](CCCc1c[nH+]cn1C)[C@H]1CCc2ccccc21 ZINC000626133475 460388145 /nfs/dbraw/zinc/38/81/45/460388145.db2.gz OCRMGLZTPIXWNM-UZLBHIALSA-N 2 1 327.472 3.377 20 0 EGADMP COC[C@@H](C)[N@@H+](CCCc1c[nH+]cn1C)[C@H]1CCc2ccccc21 ZINC000626133475 460388151 /nfs/dbraw/zinc/38/81/51/460388151.db2.gz OCRMGLZTPIXWNM-UZLBHIALSA-N 2 1 327.472 3.377 20 0 EGADMP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@H](O)C(F)(F)F ZINC000631716191 460528591 /nfs/dbraw/zinc/52/85/91/460528591.db2.gz JQFPPZXBBVHZAG-MFNRNEDNSA-N 2 1 344.421 3.331 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC000635355566 460753712 /nfs/dbraw/zinc/75/37/12/460753712.db2.gz ZBLMYTAISKQJDZ-UHFFFAOYSA-N 2 1 340.471 3.335 20 0 EGADMP COc1cccc(SCC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629561968 460809797 /nfs/dbraw/zinc/80/97/97/460809797.db2.gz KSMHJHNIXGIAMK-WFASDCNBSA-N 2 1 348.434 3.246 20 0 EGADMP COc1cccc(SCC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629561968 460809802 /nfs/dbraw/zinc/80/98/02/460809802.db2.gz KSMHJHNIXGIAMK-WFASDCNBSA-N 2 1 348.434 3.246 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](CCc2nsc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000629562140 460809911 /nfs/dbraw/zinc/80/99/11/460809911.db2.gz MAZJPLRYFMNPNU-YPMHNXCESA-N 2 1 343.418 3.298 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCc2nsc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000629562140 460809913 /nfs/dbraw/zinc/80/99/13/460809913.db2.gz MAZJPLRYFMNPNU-YPMHNXCESA-N 2 1 343.418 3.298 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000635495534 460810303 /nfs/dbraw/zinc/81/03/03/460810303.db2.gz PQFWTHOWTNBOCA-GOSISDBHSA-N 2 1 346.519 3.121 20 0 EGADMP COc1ccc([C@H](C)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629655888 460851325 /nfs/dbraw/zinc/85/13/25/460851325.db2.gz LPQIWJDSARCFDM-XNRPHZJLSA-N 2 1 330.394 3.258 20 0 EGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624119396 460868726 /nfs/dbraw/zinc/86/87/26/460868726.db2.gz ANRSXOUCIQZGGH-HUUCEWRRSA-N 2 1 337.895 3.379 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000624121562 460870374 /nfs/dbraw/zinc/87/03/74/460870374.db2.gz YBLGAUAHTXZHSH-ROUUACIJSA-N 3 1 333.520 3.010 20 0 EGADMP C[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000624121562 460870376 /nfs/dbraw/zinc/87/03/76/460870376.db2.gz YBLGAUAHTXZHSH-ROUUACIJSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000624121562 460870384 /nfs/dbraw/zinc/87/03/84/460870384.db2.gz YBLGAUAHTXZHSH-ROUUACIJSA-N 2 1 333.520 3.010 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)[C@H](C)C1 ZINC000607957038 460947607 /nfs/dbraw/zinc/94/76/07/460947607.db2.gz TWAUDHQIYGASHZ-DYESRHJHSA-N 2 1 339.483 3.481 20 0 EGADMP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H]3CC[N@@H+]3C3CCCC3)cccc21 ZINC000635873010 460957687 /nfs/dbraw/zinc/95/76/87/460957687.db2.gz SEOPVFFQOKZLBP-ROUUACIJSA-N 2 1 343.471 3.027 20 0 EGADMP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H]3CC[N@H+]3C3CCCC3)cccc21 ZINC000635873010 460957691 /nfs/dbraw/zinc/95/76/91/460957691.db2.gz SEOPVFFQOKZLBP-ROUUACIJSA-N 2 1 343.471 3.027 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000635906815 460970930 /nfs/dbraw/zinc/97/09/30/460970930.db2.gz MURHFLPISHKPNV-INIZCTEOSA-N 2 1 348.878 3.079 20 0 EGADMP Cc1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ncc1Br ZINC000628281430 461071909 /nfs/dbraw/zinc/07/19/09/461071909.db2.gz YWBOFJMABCSXEO-CJNGLKHVSA-N 2 1 338.293 3.069 20 0 EGADMP C[NH2+]C[C@@H](C)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000658982206 461125705 /nfs/dbraw/zinc/12/57/05/461125705.db2.gz LADLWTKZILVOQF-OAHLLOKOSA-N 2 1 332.492 3.181 20 0 EGADMP Cc1cn2ccc(NC(=O)NC[C@@H](c3ccsc3)N(C)C)cc2n1 ZINC000668151723 461137221 /nfs/dbraw/zinc/13/72/21/461137221.db2.gz NQNSHWHZUBOCLF-HNNXBMFYSA-N 2 1 343.456 3.129 20 0 EGADMP CC(C)(C)c1csc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)n1 ZINC000652349370 461141806 /nfs/dbraw/zinc/14/18/06/461141806.db2.gz MDPCIFWWPKFVMG-ZNMIVQPWSA-N 2 1 337.533 3.159 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c2ccccc2n1 ZINC000652349587 461144176 /nfs/dbraw/zinc/14/41/76/461144176.db2.gz UNUJPRBJOCETFV-YRISNDGFSA-N 2 1 339.483 3.262 20 0 EGADMP C[C@H]1CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)[C@@H]1CC[NH3+] ZINC000652354740 461149611 /nfs/dbraw/zinc/14/96/11/461149611.db2.gz GWSJHSTXZFMCFI-XJKSGUPXSA-N 2 1 348.878 3.382 20 0 EGADMP CC(C)(C)c1csc([C@H]2CCCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662260871 461150657 /nfs/dbraw/zinc/15/06/57/461150657.db2.gz SENFAHAJWBYBKK-LSDHHAIUSA-N 2 1 349.544 3.489 20 0 EGADMP CC(C)(C)c1csc([C@H]2CCCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662260871 461150665 /nfs/dbraw/zinc/15/06/65/461150665.db2.gz SENFAHAJWBYBKK-LSDHHAIUSA-N 2 1 349.544 3.489 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(O[C@@H]4CCOC4)cc3)C2)CC1 ZINC000668169672 461153316 /nfs/dbraw/zinc/15/33/16/461153316.db2.gz XDFJJZUZDZNLOM-TZIWHRDSSA-N 2 1 344.499 3.018 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2csc(-c3ccoc3)n2)C1 ZINC000652362751 461155454 /nfs/dbraw/zinc/15/54/54/461155454.db2.gz OCSJUWRBTFXXAB-PVAVHDDUSA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2csc(-c3ccoc3)n2)C1 ZINC000652362751 461155465 /nfs/dbraw/zinc/15/54/65/461155465.db2.gz OCSJUWRBTFXXAB-PVAVHDDUSA-N 2 1 347.484 3.264 20 0 EGADMP CCc1nocc1C[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000646260752 461156544 /nfs/dbraw/zinc/15/65/44/461156544.db2.gz FRDKBRZDPROCPO-UHFFFAOYSA-N 2 1 343.471 3.344 20 0 EGADMP CCc1nocc1C[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000646260752 461156552 /nfs/dbraw/zinc/15/65/52/461156552.db2.gz FRDKBRZDPROCPO-UHFFFAOYSA-N 2 1 343.471 3.344 20 0 EGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c2ccccc2n1 ZINC000652363063 461157468 /nfs/dbraw/zinc/15/74/68/461157468.db2.gz XDKBLYFLGGZLEX-IOMROCGXSA-N 2 1 339.483 3.404 20 0 EGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c2ccccc2n1 ZINC000652363062 461157702 /nfs/dbraw/zinc/15/77/02/461157702.db2.gz XDKBLYFLGGZLEX-DUXKGJEZSA-N 2 1 339.483 3.404 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(F)c1 ZINC000662294650 461173130 /nfs/dbraw/zinc/17/31/30/461173130.db2.gz DIJKBLQKZKPHQO-DOTOQJQBSA-N 2 1 347.478 3.173 20 0 EGADMP CC(C)[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCO1 ZINC000646300295 461178593 /nfs/dbraw/zinc/17/85/93/461178593.db2.gz RPNQQOVPDHVBIR-OAQYLSRUSA-N 2 1 346.515 3.408 20 0 EGADMP Cc1cnc([C@@H](C)[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)o1 ZINC000662327972 461195584 /nfs/dbraw/zinc/19/55/84/461195584.db2.gz WVPWCUFQGHCPHS-CQSZACIVSA-N 2 1 343.475 3.114 20 0 EGADMP Cc1cnc([C@@H](C)[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)o1 ZINC000662327972 461195594 /nfs/dbraw/zinc/19/55/94/461195594.db2.gz WVPWCUFQGHCPHS-CQSZACIVSA-N 2 1 343.475 3.114 20 0 EGADMP C[NH2+][C@@H](C(=O)NCC1([NH3+])CCCCC1)c1cccc(Cl)c1Cl ZINC000662393704 461230494 /nfs/dbraw/zinc/23/04/94/461230494.db2.gz VYYLSSXPOXOTQV-CQSZACIVSA-N 2 1 344.286 3.032 20 0 EGADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662415415 461235615 /nfs/dbraw/zinc/23/56/15/461235615.db2.gz FRMMJMYFFHGUCZ-ABAIWWIYSA-N 2 1 346.302 3.100 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000662447070 461247723 /nfs/dbraw/zinc/24/77/23/461247723.db2.gz NYINDJUFWZGJPJ-SJORKVTESA-N 2 1 347.503 3.029 20 0 EGADMP CC1(C)CN(C(=O)c2cccc3c2C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000662447017 461247948 /nfs/dbraw/zinc/24/79/48/461247948.db2.gz MJWJOBYAKVBZBE-UHFFFAOYSA-N 2 1 349.478 3.026 20 0 EGADMP CC1(C)CN(C(=O)c2cccc3c2C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000662447017 461247958 /nfs/dbraw/zinc/24/79/58/461247958.db2.gz MJWJOBYAKVBZBE-UHFFFAOYSA-N 2 1 349.478 3.026 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662455254 461250138 /nfs/dbraw/zinc/25/01/38/461250138.db2.gz WGOIEJWVJJAYKR-CQSZACIVSA-N 2 1 349.544 3.024 20 0 EGADMP CC[NH+]1CCC(N[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638292059 461351272 /nfs/dbraw/zinc/35/12/72/461351272.db2.gz UESMVWCHWJKXOD-FPOVZHCZSA-N 2 1 327.516 3.428 20 0 EGADMP Fc1ccc(C2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000655695273 461366805 /nfs/dbraw/zinc/36/68/05/461366805.db2.gz VXHNRYNTYRQVTB-LJQANCHMSA-N 2 1 332.463 3.090 20 0 EGADMP Cc1cccc(C)c1OC[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655706987 461378110 /nfs/dbraw/zinc/37/81/10/461378110.db2.gz QDMCVVNRMUPADD-ICSRJNTNSA-N 2 1 346.515 3.304 20 0 EGADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000641803688 461380963 /nfs/dbraw/zinc/38/09/63/461380963.db2.gz DLZFUVMAUCHYGY-RYUDHWBXSA-N 2 1 349.784 3.013 20 0 EGADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Nc1ccccc1 ZINC000655711165 461381147 /nfs/dbraw/zinc/38/11/47/461381147.db2.gz FWDZJUWJABSZMR-LEWJYISDSA-N 2 1 345.531 3.356 20 0 EGADMP Cc1cccnc1[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)C ZINC000655716857 461384968 /nfs/dbraw/zinc/38/49/68/461384968.db2.gz ZAZJHWGXMTXOOF-OALUTQOASA-N 2 1 331.504 3.320 20 0 EGADMP CC[N@@H+](CCCNC(=O)c1cccc2c1CC[NH2+]C2)C1CCCCC1 ZINC000662828295 461386686 /nfs/dbraw/zinc/38/66/86/461386686.db2.gz HGXCXYHTKOEKJL-UHFFFAOYSA-N 2 1 343.515 3.107 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2nsc3ccccc32)C1 ZINC000641818384 461388481 /nfs/dbraw/zinc/38/84/81/461388481.db2.gz DBNIOLOLFBOTPU-KBRIMQKVSA-N 2 1 331.485 3.157 20 0 EGADMP Cc1nnsc1CNCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000638366427 461390392 /nfs/dbraw/zinc/39/03/92/461390392.db2.gz JBHCOJDRMBXWNQ-AWEZNQCLSA-N 2 1 330.501 3.368 20 0 EGADMP Cc1nnsc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000638366427 461390393 /nfs/dbraw/zinc/39/03/93/461390393.db2.gz JBHCOJDRMBXWNQ-AWEZNQCLSA-N 2 1 330.501 3.368 20 0 EGADMP Cc1nnsc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000638366427 461390401 /nfs/dbraw/zinc/39/04/01/461390401.db2.gz JBHCOJDRMBXWNQ-AWEZNQCLSA-N 2 1 330.501 3.368 20 0 EGADMP CC(C)c1ccccc1OCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655726563 461395051 /nfs/dbraw/zinc/39/50/51/461395051.db2.gz BFAQUDQBUIPNKI-GOSISDBHSA-N 2 1 332.488 3.032 20 0 EGADMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H]1CCCNC(=O)C1)C1CCCCC1 ZINC000638402359 461409016 /nfs/dbraw/zinc/40/90/16/461409016.db2.gz NWWCSEKVUDAAOU-LJQANCHMSA-N 2 1 343.515 3.209 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000638448462 461433877 /nfs/dbraw/zinc/43/38/77/461433877.db2.gz RWXCCGNBLNCUAU-DLBZAZTESA-N 2 1 337.467 3.053 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000638448462 461433881 /nfs/dbraw/zinc/43/38/81/461433881.db2.gz RWXCCGNBLNCUAU-DLBZAZTESA-N 2 1 337.467 3.053 20 0 EGADMP Cc1ccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)c(C)c1 ZINC000655771912 461437021 /nfs/dbraw/zinc/43/70/21/461437021.db2.gz QROOUZFZUCKLCS-IBGZPJMESA-N 2 1 328.500 3.178 20 0 EGADMP CC[N@@H+](CCN[C@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000638479451 461447647 /nfs/dbraw/zinc/44/76/47/461447647.db2.gz MYWWEFKMCCMYJZ-GHTZIAJQSA-N 2 1 327.516 3.428 20 0 EGADMP CC[NH+](CCN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000638479451 461447662 /nfs/dbraw/zinc/44/76/62/461447662.db2.gz MYWWEFKMCCMYJZ-GHTZIAJQSA-N 2 1 327.516 3.428 20 0 EGADMP c1cc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)ccc1C[NH+]1CCCCC1 ZINC000663095131 461454329 /nfs/dbraw/zinc/45/43/29/461454329.db2.gz VBLSCEQIHAWZHH-RTWAWAEBSA-N 2 1 344.499 3.052 20 0 EGADMP c1cc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)ccc1C[NH+]1CCCCC1 ZINC000663095131 461454337 /nfs/dbraw/zinc/45/43/37/461454337.db2.gz VBLSCEQIHAWZHH-RTWAWAEBSA-N 2 1 344.499 3.052 20 0 EGADMP OCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000666120653 461460962 /nfs/dbraw/zinc/46/09/62/461460962.db2.gz PBGFHAGBMUWGQV-APWZRJJASA-N 2 1 336.907 3.413 20 0 EGADMP CC(C)(C)NC(=O)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638580145 461492226 /nfs/dbraw/zinc/49/22/26/461492226.db2.gz DXURDXJCVYGWSJ-HKUYNNGSSA-N 2 1 343.515 3.249 20 0 EGADMP CC(C)(C)NC(=O)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638580145 461492234 /nfs/dbraw/zinc/49/22/34/461492234.db2.gz DXURDXJCVYGWSJ-HKUYNNGSSA-N 2 1 343.515 3.249 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccncc2Br)C1 ZINC000631042120 461492945 /nfs/dbraw/zinc/49/29/45/461492945.db2.gz GJZIJEAXRPLWCD-AWEZNQCLSA-N 2 1 340.309 3.446 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[NH2+]CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000653113033 461506355 /nfs/dbraw/zinc/50/63/55/461506355.db2.gz QLPCBJKMYUOQMY-MISYRCLQSA-N 2 1 343.515 3.060 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@](C)(CC)OC)CC2)cs1 ZINC000638623543 461508713 /nfs/dbraw/zinc/50/87/13/461508713.db2.gz OZHBPDOAGPZPOS-SFHVURJKSA-N 2 1 339.549 3.322 20 0 EGADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000638671418 461529388 /nfs/dbraw/zinc/52/93/88/461529388.db2.gz PPHBQNOGIARDEU-JEWRLFTDSA-N 2 1 349.544 3.168 20 0 EGADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000638671418 461529392 /nfs/dbraw/zinc/52/93/92/461529392.db2.gz PPHBQNOGIARDEU-JEWRLFTDSA-N 2 1 349.544 3.168 20 0 EGADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(=O)[nH]c2)C[N@H+]1Cc1ccccc1 ZINC000631099164 461548490 /nfs/dbraw/zinc/54/84/90/461548490.db2.gz GEKFRAYEWAZBRB-FUHWJXTLSA-N 2 1 325.456 3.178 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000653194410 461549968 /nfs/dbraw/zinc/54/99/68/461549968.db2.gz HATYSWDDKOUEOT-FPOVZHCZSA-N 2 1 343.515 3.120 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@H]([NH3+])c1ccccc1C)C1CCCCC1 ZINC000653201078 461556733 /nfs/dbraw/zinc/55/67/33/461556733.db2.gz ZHSQITDRGXENDU-LJQANCHMSA-N 2 1 331.504 3.156 20 0 EGADMP Cc1cc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)nc3C2)cn2ccnc12 ZINC000647221381 461570945 /nfs/dbraw/zinc/57/09/45/461570945.db2.gz WZQNHRYSOYKVEN-CYBMUJFWSA-N 2 1 337.427 3.233 20 0 EGADMP COc1cc(C)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663345910 461573830 /nfs/dbraw/zinc/57/38/30/461573830.db2.gz OMAHELNOZDQFNR-QGZVFWFLSA-N 2 1 332.488 3.224 20 0 EGADMP COC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCOCC1 ZINC000638781682 461576830 /nfs/dbraw/zinc/57/68/30/461576830.db2.gz HWWSOIQTEZORIS-QUCCMNQESA-N 2 1 344.499 3.140 20 0 EGADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCOCC1 ZINC000638781682 461576834 /nfs/dbraw/zinc/57/68/34/461576834.db2.gz HWWSOIQTEZORIS-QUCCMNQESA-N 2 1 344.499 3.140 20 0 EGADMP Cc1cc(CO)cc(NC2CC[NH+](Cc3ccccc3C)CC2)[nH+]1 ZINC000663394541 461614017 /nfs/dbraw/zinc/61/40/17/461614017.db2.gz WPHPVHRXIQATKQ-UHFFFAOYSA-N 2 1 325.456 3.267 20 0 EGADMP Cc1cc(C)c(/C=C\C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1 ZINC000631177629 461616579 /nfs/dbraw/zinc/61/65/79/461616579.db2.gz MHAKADRAEBDYHF-BBIZLLLXSA-N 2 1 328.500 3.468 20 0 EGADMP Cc1nnsc1C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000638854826 461619592 /nfs/dbraw/zinc/61/95/92/461619592.db2.gz UNIGUZRZJKEWFY-UHFFFAOYSA-N 2 1 330.501 3.368 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000663465349 461653627 /nfs/dbraw/zinc/65/36/27/461653627.db2.gz JIMCCEGDLQICAB-DZGCQCFKSA-N 2 1 329.444 3.306 20 0 EGADMP c1nc([C@@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)C2CCCCC2)n[nH]1 ZINC000663466721 461654385 /nfs/dbraw/zinc/65/43/85/461654385.db2.gz XHGJHOWFXMPHAY-AEFFLSMTSA-N 2 1 331.508 3.138 20 0 EGADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663472194 461661177 /nfs/dbraw/zinc/66/11/77/461661177.db2.gz ZKJLNARUFNQDGR-MJGOQNOKSA-N 2 1 346.515 3.484 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)[C@@H]2CCC[C@H]21 ZINC000663476425 461664104 /nfs/dbraw/zinc/66/41/04/461664104.db2.gz ZKGZZTCGWXUSBD-PNYFIKQUSA-N 2 1 336.483 3.322 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)[C@@H]2CCC[C@H]21 ZINC000663476425 461664112 /nfs/dbraw/zinc/66/41/12/461664112.db2.gz ZKGZZTCGWXUSBD-PNYFIKQUSA-N 2 1 336.483 3.322 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@@H+](C)C[C@@H]1CCc3nccn3C1)CC2 ZINC000639076643 461709230 /nfs/dbraw/zinc/70/92/30/461709230.db2.gz GWVBPRZLCPJDLT-WMLDXEAASA-N 2 1 341.455 3.082 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+](C)C[C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC000639076643 461709239 /nfs/dbraw/zinc/70/92/39/461709239.db2.gz GWVBPRZLCPJDLT-WMLDXEAASA-N 2 1 341.455 3.082 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@@H+](C)C[C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC000639076643 461709248 /nfs/dbraw/zinc/70/92/48/461709248.db2.gz GWVBPRZLCPJDLT-WMLDXEAASA-N 2 1 341.455 3.082 20 0 EGADMP OCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639075459 461710067 /nfs/dbraw/zinc/71/00/67/461710067.db2.gz JPYAVUXRNNQXTI-BVPXEZJJSA-N 2 1 328.500 3.495 20 0 EGADMP OCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639075459 461710071 /nfs/dbraw/zinc/71/00/71/461710071.db2.gz JPYAVUXRNNQXTI-BVPXEZJJSA-N 2 1 328.500 3.495 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643455471 461732351 /nfs/dbraw/zinc/73/23/51/461732351.db2.gz JUXSDBPEUZUJIW-NOLJZWGESA-N 2 1 327.394 3.014 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@@H]1[NH3+] ZINC000647497795 461736051 /nfs/dbraw/zinc/73/60/51/461736051.db2.gz VYEOYZKZTYYJGK-QUCCMNQESA-N 2 1 325.456 3.220 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2[C@@H]2CCCOC2)cc1 ZINC000656406074 461736077 /nfs/dbraw/zinc/73/60/77/461736077.db2.gz LTPUKYYTSOGRNO-ZPAWYTMASA-N 2 1 326.484 3.008 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2[C@@H]2CCCOC2)cc1 ZINC000656406074 461736084 /nfs/dbraw/zinc/73/60/84/461736084.db2.gz LTPUKYYTSOGRNO-ZPAWYTMASA-N 2 1 326.484 3.008 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2[C@@H]2CCCOC2)cc1 ZINC000656406074 461736092 /nfs/dbraw/zinc/73/60/92/461736092.db2.gz LTPUKYYTSOGRNO-ZPAWYTMASA-N 2 1 326.484 3.008 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(N2CCCC2)n1 ZINC000643471363 461738581 /nfs/dbraw/zinc/73/85/81/461738581.db2.gz WTEYAQKURJIRLL-XUVXKRRUSA-N 2 1 342.531 3.391 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531056 461750899 /nfs/dbraw/zinc/75/08/99/461750899.db2.gz ZLLVDHYIUPXGAT-UHFFFAOYSA-N 2 1 332.879 3.456 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000647541414 461754462 /nfs/dbraw/zinc/75/44/62/461754462.db2.gz YGMZOGDLNYXGDB-UHFFFAOYSA-N 2 1 342.487 3.426 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@@H+](CCC[NH3+])CC2CCCC2)o1 ZINC000647541377 461755223 /nfs/dbraw/zinc/75/52/23/461755223.db2.gz CWDCYUITYZOPHU-UHFFFAOYSA-N 2 1 330.476 3.330 20 0 EGADMP Fc1ccc(-n2nccc2C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647542968 461756814 /nfs/dbraw/zinc/75/68/14/461756814.db2.gz FKWOCUBEIOVNNG-SJORKVTESA-N 2 1 342.462 3.223 20 0 EGADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543154 461757009 /nfs/dbraw/zinc/75/70/09/461757009.db2.gz IHKCTVWXYUQWDN-IAGOWNOFSA-N 2 1 325.456 3.152 20 0 EGADMP c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543367 461757406 /nfs/dbraw/zinc/75/74/06/461757406.db2.gz LWIOYUUOJZUVKD-RTWAWAEBSA-N 2 1 338.499 3.143 20 0 EGADMP Cc1cc(CO)cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000663694632 461760255 /nfs/dbraw/zinc/76/02/55/461760255.db2.gz PZXRYNYWGIVYCR-KXBFYZLASA-N 2 1 325.456 3.205 20 0 EGADMP Cc1cc(CO)cc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000663694632 461760265 /nfs/dbraw/zinc/76/02/65/461760265.db2.gz PZXRYNYWGIVYCR-KXBFYZLASA-N 2 1 325.456 3.205 20 0 EGADMP Fc1ccc(N2CC[C@H](C[NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1F ZINC000656493817 461765825 /nfs/dbraw/zinc/76/58/25/461765825.db2.gz ZYCRXUORPKDERC-CQSZACIVSA-N 2 1 335.442 3.008 20 0 EGADMP Cc1ccccc1[C@@H](CC(F)(F)F)NC[C@@H](O)C[N@H+](C)C(C)C ZINC000660422489 461768166 /nfs/dbraw/zinc/76/81/66/461768166.db2.gz GPXPJNNKYMCQIE-GDBMZVCRSA-N 2 1 332.410 3.279 20 0 EGADMP c1[nH]c2ncncc2c1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000639162280 461774498 /nfs/dbraw/zinc/77/44/98/461774498.db2.gz ROKIQOVVYPTUTD-OAQYLSRUSA-N 2 1 347.466 3.008 20 0 EGADMP c1[nH]c2ncncc2c1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000639162280 461774503 /nfs/dbraw/zinc/77/45/03/461774503.db2.gz ROKIQOVVYPTUTD-OAQYLSRUSA-N 2 1 347.466 3.008 20 0 EGADMP c1[nH]c2ncncc2c1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639162280 461774508 /nfs/dbraw/zinc/77/45/08/461774508.db2.gz ROKIQOVVYPTUTD-OAQYLSRUSA-N 2 1 347.466 3.008 20 0 EGADMP c1[nH]c2ncncc2c1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639162280 461774510 /nfs/dbraw/zinc/77/45/10/461774510.db2.gz ROKIQOVVYPTUTD-OAQYLSRUSA-N 2 1 347.466 3.008 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@@H+](C)C1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC000639162369 461774627 /nfs/dbraw/zinc/77/46/27/461774627.db2.gz NVAUOHXEDDAFPM-IXEWLPCDSA-N 2 1 330.472 3.248 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+](C)C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC000639162369 461774635 /nfs/dbraw/zinc/77/46/35/461774635.db2.gz NVAUOHXEDDAFPM-IXEWLPCDSA-N 2 1 330.472 3.248 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+](C)C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000639162369 461774641 /nfs/dbraw/zinc/77/46/41/461774641.db2.gz NVAUOHXEDDAFPM-IXEWLPCDSA-N 2 1 330.472 3.248 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+](C)CCCn1cc[nH+]c1C)CC2 ZINC000639176071 461783144 /nfs/dbraw/zinc/78/31/44/461783144.db2.gz WEHCNWVCWKEVKQ-QGZVFWFLSA-N 2 1 329.444 3.218 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@@H+](C)CCCn1cc[nH+]c1C)CC2 ZINC000639176071 461783150 /nfs/dbraw/zinc/78/31/50/461783150.db2.gz WEHCNWVCWKEVKQ-QGZVFWFLSA-N 2 1 329.444 3.218 20 0 EGADMP CCC([NH3+])(CC)C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000666753648 461790523 /nfs/dbraw/zinc/79/05/23/461790523.db2.gz LWYLSBWRLPXMFL-UHFFFAOYSA-N 2 1 326.444 3.440 20 0 EGADMP CC[C@@H]([NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC ZINC000639241135 461821372 /nfs/dbraw/zinc/82/13/72/461821372.db2.gz HWBBTWOHQIHYGO-WIYYLYMNSA-N 2 1 345.531 3.039 20 0 EGADMP CC(C)c1ccc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(O)c(=O)c1 ZINC000663828253 461826490 /nfs/dbraw/zinc/82/64/90/461826490.db2.gz JYUCQJQFTOACDD-KRWDZBQOSA-N 2 1 344.499 3.040 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000653751223 461841071 /nfs/dbraw/zinc/84/10/71/461841071.db2.gz NVYKVFXEHBDLLQ-MRXNPFEDSA-N 2 1 342.270 3.157 20 0 EGADMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000647878160 461867177 /nfs/dbraw/zinc/86/71/77/461867177.db2.gz RJHVOCSQIDVAED-AWEZNQCLSA-N 2 1 341.484 3.286 20 0 EGADMP Clc1ccc(O[C@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000647891537 461872246 /nfs/dbraw/zinc/87/22/46/461872246.db2.gz NIUZHZYREOAFSB-JSGCOSHPSA-N 2 1 329.271 3.446 20 0 EGADMP c1cc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)ccc1C[NH+]1CCOCC1 ZINC000653811646 461874383 /nfs/dbraw/zinc/87/43/83/461874383.db2.gz SEXVCXGVTAVEQB-OAQYLSRUSA-N 2 1 344.499 3.052 20 0 EGADMP c1cc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)ccc1C[NH+]1CCOCC1 ZINC000653811646 461874390 /nfs/dbraw/zinc/87/43/90/461874390.db2.gz SEXVCXGVTAVEQB-OAQYLSRUSA-N 2 1 344.499 3.052 20 0 EGADMP CC[C@@H]1C[N@@H+](CCOc2cc(F)cc(Br)c2)CC[C@H]1[NH3+] ZINC000647934605 461892403 /nfs/dbraw/zinc/89/24/03/461892403.db2.gz KFSDNIAZJNVVFW-IAQYHMDHSA-N 2 1 345.256 3.026 20 0 EGADMP CC[C@H]1C[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC[C@H]1[NH3+] ZINC000647936962 461894148 /nfs/dbraw/zinc/89/41/48/461894148.db2.gz OKQRMWOAWLBQOF-FUHWJXTLSA-N 2 1 349.494 3.012 20 0 EGADMP CC[C@H]1C[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC[C@H]1[NH3+] ZINC000647936962 461894157 /nfs/dbraw/zinc/89/41/57/461894157.db2.gz OKQRMWOAWLBQOF-FUHWJXTLSA-N 2 1 349.494 3.012 20 0 EGADMP COc1ccc2oc(C[N@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)cc2c1 ZINC000650707261 461899310 /nfs/dbraw/zinc/89/93/10/461899310.db2.gz BXMRHCPCIFDJKZ-DKICVRJWSA-N 2 1 344.455 3.160 20 0 EGADMP CC(C)(C)c1nc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000650707047 461899970 /nfs/dbraw/zinc/89/99/70/461899970.db2.gz XLEBBZADGQOPBR-SQWLQELKSA-N 2 1 337.533 3.159 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C/C=C\c3ccc(F)cc3F)C2)C1 ZINC000650707606 461901097 /nfs/dbraw/zinc/90/10/97/461901097.db2.gz JGAFJUVIEZGDFX-MGQJPEQZSA-N 2 1 336.426 3.196 20 0 EGADMP CC(C)(C)c1cnc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650708190 461902428 /nfs/dbraw/zinc/90/24/28/461902428.db2.gz VBBHOGWDDTWZGT-RRFJBIMHSA-N 2 1 337.533 3.159 20 0 EGADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000666995132 461902565 /nfs/dbraw/zinc/90/25/65/461902565.db2.gz DQHVRSWCKMOHAD-YZGWKJHDSA-N 2 1 327.516 3.304 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)CCN1Cc1ccccc1 ZINC000666995132 461902574 /nfs/dbraw/zinc/90/25/74/461902574.db2.gz DQHVRSWCKMOHAD-YZGWKJHDSA-N 2 1 327.516 3.304 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1OCC(C)C ZINC000650708962 461902843 /nfs/dbraw/zinc/90/28/43/461902843.db2.gz WUQFWCOORLXCTJ-PXNSSMCTSA-N 2 1 332.488 3.291 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c(SC)cc1OC ZINC000650711031 461904804 /nfs/dbraw/zinc/90/48/04/461904804.db2.gz GQYBNENENNOTAR-DZGCQCFKSA-N 2 1 338.517 3.375 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)cc2)n1 ZINC000660657194 461907901 /nfs/dbraw/zinc/90/79/01/461907901.db2.gz OLVRCUSLIKQBGO-NRFANRHFSA-N 2 1 338.499 3.407 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cc2)n1 ZINC000660657194 461907911 /nfs/dbraw/zinc/90/79/11/461907911.db2.gz OLVRCUSLIKQBGO-NRFANRHFSA-N 2 1 338.499 3.407 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cc2)n1 ZINC000660657194 461907915 /nfs/dbraw/zinc/90/79/15/461907915.db2.gz OLVRCUSLIKQBGO-NRFANRHFSA-N 2 1 338.499 3.407 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2F)C1 ZINC000650717610 461910093 /nfs/dbraw/zinc/91/00/93/461910093.db2.gz HEUHHGCCDDJFAH-BEFAXECRSA-N 2 1 327.447 3.210 20 0 EGADMP CC(C)Oc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650721987 461913176 /nfs/dbraw/zinc/91/31/76/461913176.db2.gz HYKNLEZOXMTYOE-SXLOBPIMSA-N 2 1 332.488 3.335 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)c(F)c2)C1 ZINC000650723427 461913717 /nfs/dbraw/zinc/91/37/17/461913717.db2.gz NPGHWSIEPQESHN-XOKHGSTOSA-N 2 1 326.843 3.340 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722638 461914704 /nfs/dbraw/zinc/91/47/04/461914704.db2.gz YMIQPWOUKMKZRJ-MISYRCLQSA-N 2 1 332.488 3.336 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc3cccnc32)C1 ZINC000650721994 461915013 /nfs/dbraw/zinc/91/50/13/461915013.db2.gz HZPONRVUERFBEY-CEXWTWQISA-N 2 1 325.456 3.096 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975212 461916393 /nfs/dbraw/zinc/91/63/93/461916393.db2.gz QIXMOMISUZKFOR-ROUUACIJSA-N 2 1 343.515 3.460 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc3cnccc3c2)C1 ZINC000650723943 461916418 /nfs/dbraw/zinc/91/64/18/461916418.db2.gz WDDFGUIFBYPSHS-AABGKKOBSA-N 2 1 325.456 3.096 20 0 EGADMP c1ccc(CCOCCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647978270 461920858 /nfs/dbraw/zinc/92/08/58/461920858.db2.gz PDUYKVLTKQZJMO-RTWAWAEBSA-N 2 1 330.516 3.347 20 0 EGADMP CO[C@@H](Cc1ccccc1)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660680190 461922931 /nfs/dbraw/zinc/92/29/31/461922931.db2.gz QYLQGZUHHCSVJY-QFIPXVFZSA-N 2 1 338.495 3.498 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@H]1C[NH3+] ZINC000667039591 461924190 /nfs/dbraw/zinc/92/41/90/461924190.db2.gz XZJCHIONVLTWRG-RHSMWYFYSA-N 2 1 332.879 3.002 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@H]1C[NH3+] ZINC000667039591 461924195 /nfs/dbraw/zinc/92/41/95/461924195.db2.gz XZJCHIONVLTWRG-RHSMWYFYSA-N 2 1 332.879 3.002 20 0 EGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2nc3ccc(F)cc3s2)CC1 ZINC000667042249 461925494 /nfs/dbraw/zinc/92/54/94/461925494.db2.gz HUNMLMNNMMIHCV-KDOFPFPSSA-N 2 1 349.475 3.154 20 0 EGADMP COc1ccc(C[N@@H+](C[C@H]2CC[NH2+]C2)C2CCCCC2)cc1OC ZINC000647991289 461926595 /nfs/dbraw/zinc/92/65/95/461926595.db2.gz WGSDZIVYGONRGJ-KRWDZBQOSA-N 2 1 332.488 3.448 20 0 EGADMP CC(C)O[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000648047715 461956548 /nfs/dbraw/zinc/95/65/48/461956548.db2.gz ZUTYWWCZFKVBTP-HXUWFJFHSA-N 2 1 345.531 3.216 20 0 EGADMP COc1ccc2cc(C[N@H+]3CCOC4(CC[NH+](C)CC4)C3)ccc2c1 ZINC000648071766 461969022 /nfs/dbraw/zinc/96/90/22/461969022.db2.gz SNAOKSRMBBTYHG-UHFFFAOYSA-N 2 1 340.467 3.145 20 0 EGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644543855 461978484 /nfs/dbraw/zinc/97/84/84/461978484.db2.gz CWGYFODJNRIXKG-NHCUHLMSSA-N 2 1 326.484 3.090 20 0 EGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644543855 461978489 /nfs/dbraw/zinc/97/84/89/461978489.db2.gz CWGYFODJNRIXKG-NHCUHLMSSA-N 2 1 326.484 3.090 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657355683 462066678 /nfs/dbraw/zinc/06/66/78/462066678.db2.gz ZGPSRNCIDOIOAI-INIZCTEOSA-N 2 1 329.419 3.444 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657355683 462066685 /nfs/dbraw/zinc/06/66/85/462066685.db2.gz ZGPSRNCIDOIOAI-INIZCTEOSA-N 2 1 329.419 3.444 20 0 EGADMP C[N@H+]1CCC[C@@H]1CN1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000639724739 462076732 /nfs/dbraw/zinc/07/67/32/462076732.db2.gz DJELBTXYWRRGOZ-OAQYLSRUSA-N 3 1 341.543 3.459 20 0 EGADMP CN1CCC[C@@H]1C[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000639724739 462076741 /nfs/dbraw/zinc/07/67/41/462076741.db2.gz DJELBTXYWRRGOZ-OAQYLSRUSA-N 3 1 341.543 3.459 20 0 EGADMP CC[C@H](C)[N@@H+](CC)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000661110458 462107119 /nfs/dbraw/zinc/10/71/19/462107119.db2.gz YKVQFETUIVAHLZ-KRWDZBQOSA-N 2 1 331.504 3.019 20 0 EGADMP OCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000648446438 462122376 /nfs/dbraw/zinc/12/23/76/462122376.db2.gz OXMLDBBDQPTOMA-APWZRJJASA-N 2 1 336.907 3.098 20 0 EGADMP CC[NH+](CC)CCN(Cc1c[nH+]c2n1CCC2)Cc1ccccc1 ZINC000667560177 462142518 /nfs/dbraw/zinc/14/25/18/462142518.db2.gz PONSCJSVETYUTO-UHFFFAOYSA-N 2 1 326.488 3.173 20 0 EGADMP Cc1[nH+]cc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1C ZINC000667618249 462176071 /nfs/dbraw/zinc/17/60/71/462176071.db2.gz QVVJZNAXNCBSFC-VQIMIIECSA-N 2 1 326.488 3.213 20 0 EGADMP Cc1[nH+]cc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1C ZINC000667618249 462176077 /nfs/dbraw/zinc/17/60/77/462176077.db2.gz QVVJZNAXNCBSFC-VQIMIIECSA-N 2 1 326.488 3.213 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccncn1 ZINC000651324302 462179335 /nfs/dbraw/zinc/17/93/35/462179335.db2.gz ZBRRKLHQLSZEKQ-HKJQZYRSSA-N 2 1 336.483 3.428 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccncn1 ZINC000651324302 462179340 /nfs/dbraw/zinc/17/93/40/462179340.db2.gz ZBRRKLHQLSZEKQ-HKJQZYRSSA-N 2 1 336.483 3.428 20 0 EGADMP c1cn2c(n1)[C@@H](N[C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000648629216 462206748 /nfs/dbraw/zinc/20/67/48/462206748.db2.gz VARITUOJCOFWKU-MUGJNUQGSA-N 2 1 336.483 3.218 20 0 EGADMP CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000657678982 462227166 /nfs/dbraw/zinc/22/71/66/462227166.db2.gz XPGCUGROABZGTP-SFHVURJKSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000657678982 462227171 /nfs/dbraw/zinc/22/71/71/462227171.db2.gz XPGCUGROABZGTP-SFHVURJKSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648758087 462264967 /nfs/dbraw/zinc/26/49/67/462264967.db2.gz CDTQHBMRUUKDSU-DLBZAZTESA-N 2 1 334.508 3.167 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648758087 462264975 /nfs/dbraw/zinc/26/49/75/462264975.db2.gz CDTQHBMRUUKDSU-DLBZAZTESA-N 2 1 334.508 3.167 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000648779085 462275342 /nfs/dbraw/zinc/27/53/42/462275342.db2.gz ZKRIFSPAPZOGQL-SJORKVTESA-N 2 1 342.487 3.033 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000648779085 462275348 /nfs/dbraw/zinc/27/53/48/462275348.db2.gz ZKRIFSPAPZOGQL-SJORKVTESA-N 2 1 342.487 3.033 20 0 EGADMP COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000651758878 462326636 /nfs/dbraw/zinc/32/66/36/462326636.db2.gz QXLGYCIXBUNKPE-UXHICEINSA-N 2 1 348.531 3.184 20 0 EGADMP c1cnc(N2CCCC2)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000665236789 462363812 /nfs/dbraw/zinc/36/38/12/462363812.db2.gz UGLJNOOAOYZTCO-IPMKNSEASA-N 2 1 328.504 3.082 20 0 EGADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000665249425 462368383 /nfs/dbraw/zinc/36/83/83/462368383.db2.gz QELZIEWCPQSHRW-OAHLLOKOSA-N 2 1 332.492 3.482 20 0 EGADMP CCCCCOc1ccc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000665290855 462387608 /nfs/dbraw/zinc/38/76/08/462387608.db2.gz MVJTZCKESSALEC-CQSZACIVSA-N 2 1 344.459 3.061 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@@H]1CCc2ccccc2NC1=O ZINC000640534662 462432992 /nfs/dbraw/zinc/43/29/92/462432992.db2.gz RGFMMMHLOIIWIC-LJQANCHMSA-N 2 1 329.488 3.138 20 0 EGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652140370 462447312 /nfs/dbraw/zinc/44/73/12/462447312.db2.gz MIUVXGUXMPPQQB-ULQDDVLXSA-N 2 1 348.487 3.380 20 0 EGADMP CCCC[N@H+](C)CC1CCN(C(=O)Nc2cc[nH+]c(N(C)C)c2)CC1 ZINC000640610165 462456554 /nfs/dbraw/zinc/45/65/54/462456554.db2.gz GOQSZRJNUZHKEJ-UHFFFAOYSA-N 2 1 347.507 3.123 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cc[nH+]c(N(C)C)c2)CC1 ZINC000640610165 462456562 /nfs/dbraw/zinc/45/65/62/462456562.db2.gz GOQSZRJNUZHKEJ-UHFFFAOYSA-N 2 1 347.507 3.123 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)CC[N@H+]1C ZINC000180848415 533947062 /nfs/dbraw/zinc/94/70/62/533947062.db2.gz HXARJNOFLKFRSR-GDBMZVCRSA-N 2 1 330.501 3.210 20 0 EGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000178233819 534843590 /nfs/dbraw/zinc/84/35/90/534843590.db2.gz QARVUOWEEIYVJD-GDBMZVCRSA-N 2 1 332.517 3.353 20 0 EGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000178233819 534843593 /nfs/dbraw/zinc/84/35/93/534843593.db2.gz QARVUOWEEIYVJD-GDBMZVCRSA-N 2 1 332.517 3.353 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)[C@H](C)C1 ZINC000163965357 527883251 /nfs/dbraw/zinc/88/32/51/527883251.db2.gz XRDHCVOYGQXEHP-IERDGZPVSA-N 2 1 340.515 3.368 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)[C@H](C)C1 ZINC000163965357 527883253 /nfs/dbraw/zinc/88/32/53/527883253.db2.gz XRDHCVOYGQXEHP-IERDGZPVSA-N 2 1 340.515 3.368 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(Br)c2OC)C1 ZINC000187157790 528261907 /nfs/dbraw/zinc/26/19/07/528261907.db2.gz SVDYRBOOOGBHKR-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(Br)c2OC)C1 ZINC000187157790 528261913 /nfs/dbraw/zinc/26/19/13/528261913.db2.gz SVDYRBOOOGBHKR-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP CCOc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OCC ZINC000154902481 528425094 /nfs/dbraw/zinc/42/50/94/528425094.db2.gz UOWJMUMEBSNYNE-XYJFISCASA-N 2 1 334.504 3.345 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000191494345 528862008 /nfs/dbraw/zinc/86/20/08/528862008.db2.gz SYOBIPLXEOQRAO-UHFFFAOYSA-N 2 1 348.878 3.450 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000191494345 528862012 /nfs/dbraw/zinc/86/20/12/528862012.db2.gz SYOBIPLXEOQRAO-UHFFFAOYSA-N 2 1 348.878 3.450 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cnc3ccsc3c2)CC1 ZINC000154523171 529143546 /nfs/dbraw/zinc/14/35/46/529143546.db2.gz ZRNHZUPERXKFKH-INIZCTEOSA-N 2 1 346.544 3.365 20 0 EGADMP CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1(C)C ZINC000185190088 534932295 /nfs/dbraw/zinc/93/22/95/534932295.db2.gz SOHZHGMVTPGGQD-PMACEKPBSA-N 2 1 346.515 3.201 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000351419839 536357442 /nfs/dbraw/zinc/35/74/42/536357442.db2.gz RGCSKBCCCNOPIU-QUCCMNQESA-N 2 1 343.515 3.003 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000351419839 536357444 /nfs/dbraw/zinc/35/74/44/536357444.db2.gz RGCSKBCCCNOPIU-QUCCMNQESA-N 2 1 343.515 3.003 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000351419839 536357447 /nfs/dbraw/zinc/35/74/47/536357447.db2.gz RGCSKBCCCNOPIU-QUCCMNQESA-N 2 1 343.515 3.003 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000090184986 546654089 /nfs/dbraw/zinc/65/40/89/546654089.db2.gz SEKHAQZVARCMHW-XLIONFOSSA-N 2 1 340.515 3.470 20 0 EGADMP Cc1cc(C)cc(NC(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134924632 546831209 /nfs/dbraw/zinc/83/12/09/546831209.db2.gz XNXJQVKCOYGOBY-XLIONFOSSA-N 2 1 341.499 3.191 20 0 EGADMP Fc1ccc(Br)cc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166327556 546987476 /nfs/dbraw/zinc/98/74/76/546987476.db2.gz VTXOZRQWMDEXHQ-HUUCEWRRSA-N 2 1 341.268 3.347 20 0 EGADMP CCc1cc(NC[C@H](c2ccc(OC)c(OC)c2)[NH+](C)C)nc(C)[nH+]1 ZINC000180421813 547054941 /nfs/dbraw/zinc/05/49/41/547054941.db2.gz YMTFFOZZNACGFB-MRXNPFEDSA-N 2 1 344.459 3.079 20 0 EGADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3cn[nH]c3C)CC2)cc1 ZINC000180328932 547055015 /nfs/dbraw/zinc/05/50/15/547055015.db2.gz LENLZFUACKNZRL-OAHLLOKOSA-N 2 1 342.487 3.290 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)CC2 ZINC000280007455 547369161 /nfs/dbraw/zinc/36/91/61/547369161.db2.gz GLYGDTZBQYBBLY-CXAGYDPISA-N 2 1 329.444 3.122 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068635 547568287 /nfs/dbraw/zinc/56/82/87/547568287.db2.gz RWHYWBWGZUNTBC-CABCVRRESA-N 2 1 335.879 3.193 20 0 EGADMP Cc1ccc([C@H](CNC(=O)CC[N@@H+]2CCCC[C@H]2C)[NH+]2CCCC2)o1 ZINC000339253872 547572642 /nfs/dbraw/zinc/57/26/42/547572642.db2.gz FLYNXPRFRYCAOS-AEFFLSMTSA-N 2 1 347.503 3.106 20 0 EGADMP CCCn1nccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398046558 547835209 /nfs/dbraw/zinc/83/52/09/547835209.db2.gz WAFOTFYVLLVWNY-PXNSSMCTSA-N 2 1 326.488 3.293 20 0 EGADMP CCCn1nccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398046558 547835212 /nfs/dbraw/zinc/83/52/12/547835212.db2.gz WAFOTFYVLLVWNY-PXNSSMCTSA-N 2 1 326.488 3.293 20 0 EGADMP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000678769648 549557103 /nfs/dbraw/zinc/55/71/03/549557103.db2.gz YLLBBDODTZLSMC-LAUBAEHRSA-N 2 1 329.532 3.173 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)c2ccccc21 ZINC000678774307 549558739 /nfs/dbraw/zinc/55/87/39/549558739.db2.gz HSMCJWPQZUJBAJ-IBGZPJMESA-N 2 1 329.488 3.194 20 0 EGADMP COCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC[C@@H](C)C1 ZINC000683001377 550176875 /nfs/dbraw/zinc/17/68/75/550176875.db2.gz UBWRKTOQQZRGAL-IEBWSBKVSA-N 2 1 334.504 3.264 20 0 EGADMP CCn1ccc(C[NH+](C)C/C=C/C[N@H+](C)Cc2ccn(CC)c2)c1 ZINC000683031300 550181197 /nfs/dbraw/zinc/18/11/97/550181197.db2.gz UMZRCPQXTQVXCH-BQYQJAHWSA-N 2 1 328.504 3.449 20 0 EGADMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C4CCC4)cc3)CC2)C1 ZINC000683784818 550261448 /nfs/dbraw/zinc/26/14/48/550261448.db2.gz NVMWTJQSXSZHQW-NRFANRHFSA-N 2 1 327.516 3.166 20 0 EGADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C4CCC4)cc3)CC2)C1 ZINC000683784818 550261450 /nfs/dbraw/zinc/26/14/50/550261450.db2.gz NVMWTJQSXSZHQW-NRFANRHFSA-N 2 1 327.516 3.166 20 0 EGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683930769 550274880 /nfs/dbraw/zinc/27/48/80/550274880.db2.gz YTCWSOOGTGMFIC-OAQYLSRUSA-N 2 1 349.478 3.414 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC23CCC[NH+]2CCC3)cc1)C(C)C ZINC000684848891 550376272 /nfs/dbraw/zinc/37/62/72/550376272.db2.gz YLWNWMSMDHIFAL-UHFFFAOYSA-N 2 1 343.515 3.275 20 0 EGADMP C[N@@H+](Cc1ccc(O)cc1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685462546 550419575 /nfs/dbraw/zinc/41/95/75/550419575.db2.gz KXMZYAGSGVWFMU-UHFFFAOYSA-N 2 1 340.467 3.499 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000685849566 550448046 /nfs/dbraw/zinc/44/80/46/550448046.db2.gz NBUFWQXWODNXEM-OALUTQOASA-N 2 1 332.488 3.016 20 0 EGADMP C=Cn1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000683704740 576186258 /nfs/dbraw/zinc/18/62/58/576186258.db2.gz FEEDTAGCYKOLED-NJDAHSKKSA-N 2 1 336.483 3.374 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](CN2C(=O)[C@@H](C)[C@H]2c2ccccc2)CC1 ZINC000743366676 576807095 /nfs/dbraw/zinc/80/70/95/576807095.db2.gz ZLYCTKISWRIJGA-PXNSSMCTSA-N 2 1 343.515 3.216 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C(=O)[C@@H](C)[C@H]2c2ccccc2)CC1 ZINC000743366676 576807096 /nfs/dbraw/zinc/80/70/96/576807096.db2.gz ZLYCTKISWRIJGA-PXNSSMCTSA-N 2 1 343.515 3.216 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687948730 1298121492 /nfs/dbraw/zinc/12/14/92/1298121492.db2.gz LLMJOWNQTBAFNR-INIZCTEOSA-N 2 1 341.524 3.100 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687948730 1298121499 /nfs/dbraw/zinc/12/14/99/1298121499.db2.gz LLMJOWNQTBAFNR-INIZCTEOSA-N 2 1 341.524 3.100 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000687948730 1298121502 /nfs/dbraw/zinc/12/15/02/1298121502.db2.gz LLMJOWNQTBAFNR-INIZCTEOSA-N 2 1 341.524 3.100 20 0 EGADMP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000693665690 1298151309 /nfs/dbraw/zinc/15/13/09/1298151309.db2.gz UIRBJITWMQTKFO-PMACEKPBSA-N 3 1 329.532 3.109 20 0 EGADMP CC(C)[C@@H](C[NH3+])CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000693665690 1298151317 /nfs/dbraw/zinc/15/13/17/1298151317.db2.gz UIRBJITWMQTKFO-PMACEKPBSA-N 2 1 329.532 3.109 20 0 EGADMP CC(C)[C@@H](C[NH3+])CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000693665690 1298151320 /nfs/dbraw/zinc/15/13/20/1298151320.db2.gz UIRBJITWMQTKFO-PMACEKPBSA-N 2 1 329.532 3.109 20 0 EGADMP CC(C)[C@H](C[NH3+])C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000693665691 1298151355 /nfs/dbraw/zinc/15/13/55/1298151355.db2.gz UIRBJITWMQTKFO-UXHICEINSA-N 3 1 329.532 3.109 20 0 EGADMP CC(C)[C@H](C[NH3+])CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000693665691 1298151360 /nfs/dbraw/zinc/15/13/60/1298151360.db2.gz UIRBJITWMQTKFO-UXHICEINSA-N 2 1 329.532 3.109 20 0 EGADMP CC(C)[C@H](C[NH3+])CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000693665691 1298151366 /nfs/dbraw/zinc/15/13/66/1298151366.db2.gz UIRBJITWMQTKFO-UXHICEINSA-N 2 1 329.532 3.109 20 0 EGADMP C[C@@H](CC[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1)[NH+](C)C ZINC000895300044 1309276133 /nfs/dbraw/zinc/27/61/33/1309276133.db2.gz RRFOODOVSCPLLX-AWEZNQCLSA-N 2 1 326.444 3.263 20 0 EGADMP CCCCCCNC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889067 1291866957 /nfs/dbraw/zinc/86/69/57/1291866957.db2.gz NGYBPYOSFBTHQI-UHFFFAOYSA-N 2 1 337.552 3.271 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000067223126 1292154412 /nfs/dbraw/zinc/15/44/12/1292154412.db2.gz FSSDVYRAUQRQND-AWEZNQCLSA-N 2 1 328.403 3.118 20 0 EGADMP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000073023721 1292302015 /nfs/dbraw/zinc/30/20/15/1292302015.db2.gz ILHWWKUXGQUSGX-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP CCN(C(=O)CC[N@H+](C)CC)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000073023721 1292302024 /nfs/dbraw/zinc/30/20/24/1292302024.db2.gz ILHWWKUXGQUSGX-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP CCN(C(=O)CC[N@@H+](C)CC)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000073023721 1292302035 /nfs/dbraw/zinc/30/20/35/1292302035.db2.gz ILHWWKUXGQUSGX-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000073051247 1292303719 /nfs/dbraw/zinc/30/37/19/1292303719.db2.gz LFEQJOMGRHTVIK-UHFFFAOYSA-N 2 1 334.895 3.262 20 0 EGADMP C[C@H](C[NH2+]Cc1cnn(Cc2ccccc2)c1)C[NH+]1CCCCC1 ZINC000075820396 1292412305 /nfs/dbraw/zinc/41/23/05/1292412305.db2.gz QCTXURZXSLXSHO-GOSISDBHSA-N 2 1 326.488 3.143 20 0 EGADMP [NH3+]CCCCCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000830999616 1292798705 /nfs/dbraw/zinc/79/87/05/1292798705.db2.gz PVHCUMNFBSVWKY-NRFANRHFSA-N 2 1 343.515 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](CNCc2ccn(-c3ccccc3)n2)C1 ZINC000091064192 1292814209 /nfs/dbraw/zinc/81/42/09/1292814209.db2.gz LNEVXZCUNAWZPE-SFHVURJKSA-N 2 1 326.488 3.330 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2C(C)(C)C)c1 ZINC000093963643 1292939091 /nfs/dbraw/zinc/93/90/91/1292939091.db2.gz NHZOZZLDLGMHKK-UHFFFAOYSA-N 2 1 328.504 3.459 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CCSCC3)CC2)cs1 ZINC000111397547 1293103924 /nfs/dbraw/zinc/10/39/24/1293103924.db2.gz YAFAGMFODFGNBG-UHFFFAOYSA-N 2 1 339.574 3.403 20 0 EGADMP Cc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c(C)o1 ZINC000119202415 1293260065 /nfs/dbraw/zinc/26/00/65/1293260065.db2.gz HGLHCJULNDXZOL-INIZCTEOSA-N 2 1 328.456 3.407 20 0 EGADMP Cc1cc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(C)o1 ZINC000119202415 1293260070 /nfs/dbraw/zinc/26/00/70/1293260070.db2.gz HGLHCJULNDXZOL-INIZCTEOSA-N 2 1 328.456 3.407 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](CNCc2cnn(Cc3ccccc3)c2)C1 ZINC000120768196 1293337929 /nfs/dbraw/zinc/33/79/29/1293337929.db2.gz WCNJDIJXLIONMR-HXUWFJFHSA-N 2 1 340.515 3.389 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000120768196 1293337933 /nfs/dbraw/zinc/33/79/33/1293337933.db2.gz WCNJDIJXLIONMR-HXUWFJFHSA-N 2 1 340.515 3.389 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000120768196 1293337942 /nfs/dbraw/zinc/33/79/42/1293337942.db2.gz WCNJDIJXLIONMR-HXUWFJFHSA-N 2 1 340.515 3.389 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)C1 ZINC000120792331 1293338114 /nfs/dbraw/zinc/33/81/14/1293338114.db2.gz NZCDPHDYMFKWAS-LJQANCHMSA-N 2 1 330.520 3.139 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)C1 ZINC000120792331 1293338121 /nfs/dbraw/zinc/33/81/21/1293338121.db2.gz NZCDPHDYMFKWAS-LJQANCHMSA-N 2 1 330.520 3.139 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000124939050 1293489538 /nfs/dbraw/zinc/48/95/38/1293489538.db2.gz GWSYAKVIPGSCAJ-IXDOHACOSA-N 2 1 339.524 3.096 20 0 EGADMP CN(C)c1ccc(N2CCC([NH2+]CC[N@H+](C)C3CCCC3)CC2)cc1 ZINC000133269218 1293740318 /nfs/dbraw/zinc/74/03/18/1293740318.db2.gz XOLJIKHWHYGVIF-UHFFFAOYSA-N 2 1 344.547 3.185 20 0 EGADMP CN(C)c1ccc(N2CCC([NH2+]CC[N@@H+](C)C3CCCC3)CC2)cc1 ZINC000133269218 1293740321 /nfs/dbraw/zinc/74/03/21/1293740321.db2.gz XOLJIKHWHYGVIF-UHFFFAOYSA-N 2 1 344.547 3.185 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)nc1 ZINC000179097021 1294772272 /nfs/dbraw/zinc/77/22/72/1294772272.db2.gz QPWRQYBTLFKAKZ-OAHLLOKOSA-N 2 1 345.874 3.418 20 0 EGADMP CC1(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)OCCO1 ZINC000183887205 1295155517 /nfs/dbraw/zinc/15/55/17/1295155517.db2.gz UKKGWCRPBCYURK-SLFFLAALSA-N 2 1 344.499 3.030 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Br)cc1O ZINC000184899794 1295228383 /nfs/dbraw/zinc/22/83/83/1295228383.db2.gz CGNHZFZWMVKTSE-LBPRGKRZSA-N 2 1 327.266 3.291 20 0 EGADMP CC(=O)Oc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185767812 1295284536 /nfs/dbraw/zinc/28/45/36/1295284536.db2.gz DHNSDLFEBGDRQZ-QAPCUYQASA-N 2 1 330.472 3.355 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000870867539 1296121150 /nfs/dbraw/zinc/12/11/50/1296121150.db2.gz QLMPBCOGPMCOBW-ZWOKBUDYSA-N 2 1 343.515 3.052 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])CC3)cc2)C1 ZINC000870866444 1296121164 /nfs/dbraw/zinc/12/11/64/1296121164.db2.gz WHEMDKYOAUHKPL-NXHRZFHOSA-N 2 1 329.488 3.375 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000870865645 1296121488 /nfs/dbraw/zinc/12/14/88/1296121488.db2.gz AVAFDVZXFMCIKM-PWIZWCRZSA-N 2 1 343.515 3.195 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000870952027 1296150268 /nfs/dbraw/zinc/15/02/68/1296150268.db2.gz ILKJOWCOKBUVOB-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP COCC[NH+]1CCC([NH2+]Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000237109523 1296221961 /nfs/dbraw/zinc/22/19/61/1296221961.db2.gz XZLWWGNQYBRZPF-UHFFFAOYSA-N 2 1 348.434 3.499 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000237348642 1296237306 /nfs/dbraw/zinc/23/73/06/1296237306.db2.gz DLFLLYMPQIQYLD-HNNXBMFYSA-N 2 1 330.451 3.357 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(CC)(CC)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000247223152 1296386082 /nfs/dbraw/zinc/38/60/82/1296386082.db2.gz WNSHJPFRMRSJAV-HZPDHXFCSA-N 2 1 341.540 3.390 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)[C@H](C)C1 ZINC000247269654 1296387460 /nfs/dbraw/zinc/38/74/60/1296387460.db2.gz YALDVUMTFPPRAJ-BJZITVGISA-N 2 1 349.906 3.495 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)[C@H](C)C1 ZINC000247269654 1296387472 /nfs/dbraw/zinc/38/74/72/1296387472.db2.gz YALDVUMTFPPRAJ-BJZITVGISA-N 2 1 349.906 3.495 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)[C@H](C)C1 ZINC000247269654 1296387482 /nfs/dbraw/zinc/38/74/82/1296387482.db2.gz YALDVUMTFPPRAJ-BJZITVGISA-N 2 1 349.906 3.495 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)[C@H](C)C1 ZINC000247269654 1296387493 /nfs/dbraw/zinc/38/74/93/1296387493.db2.gz YALDVUMTFPPRAJ-BJZITVGISA-N 2 1 349.906 3.495 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000261538111 1296593279 /nfs/dbraw/zinc/59/32/79/1296593279.db2.gz DBDITEGQVUEKTA-UWHLTILDSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000261538111 1296593288 /nfs/dbraw/zinc/59/32/88/1296593288.db2.gz DBDITEGQVUEKTA-UWHLTILDSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261538172 1296594760 /nfs/dbraw/zinc/59/47/60/1296594760.db2.gz NLFBLYFONNBMLP-DOIPELPJSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261538172 1296594769 /nfs/dbraw/zinc/59/47/69/1296594769.db2.gz NLFBLYFONNBMLP-DOIPELPJSA-N 2 1 327.516 3.161 20 0 EGADMP Clc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc2c1OCCCO2 ZINC000262042259 1296616776 /nfs/dbraw/zinc/61/67/76/1296616776.db2.gz PIIMZZZLEMNYKG-UHFFFAOYSA-N 2 1 336.863 3.077 20 0 EGADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1C[NH3+] ZINC000262508628 1296637270 /nfs/dbraw/zinc/63/72/70/1296637270.db2.gz MTQPOQYPUXUQBW-RYUDHWBXSA-N 2 1 344.286 3.239 20 0 EGADMP CNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000872156223 1296776669 /nfs/dbraw/zinc/77/66/69/1296776669.db2.gz GKFLFDQLXKBCCW-PXNSSMCTSA-N 2 1 343.515 3.166 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000310056350 1297085769 /nfs/dbraw/zinc/08/57/69/1297085769.db2.gz LPFDBKVNHXNGTP-MRXNPFEDSA-N 2 1 333.476 3.465 20 0 EGADMP CC(C)C[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000310191953 1297092359 /nfs/dbraw/zinc/09/23/59/1297092359.db2.gz QGEUZGOWLNEUHI-RXVVDRJESA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000310191953 1297092374 /nfs/dbraw/zinc/09/23/74/1297092374.db2.gz QGEUZGOWLNEUHI-RXVVDRJESA-N 2 1 329.532 3.359 20 0 EGADMP COC(=O)c1coc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c1 ZINC000873232148 1297371870 /nfs/dbraw/zinc/37/18/70/1297371870.db2.gz LKRXJQZUIPHBDA-RDTXWAMCSA-N 2 1 334.460 3.186 20 0 EGADMP COC(=O)c1coc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c1 ZINC000873232143 1297372943 /nfs/dbraw/zinc/37/29/43/1297372943.db2.gz LKRXJQZUIPHBDA-KBXCAEBGSA-N 2 1 334.460 3.186 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000873260188 1297395409 /nfs/dbraw/zinc/39/54/09/1297395409.db2.gz UTRAZIISIQOZGM-BWUHRYBWSA-N 3 1 327.516 3.160 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000873260188 1297395416 /nfs/dbraw/zinc/39/54/16/1297395416.db2.gz UTRAZIISIQOZGM-BWUHRYBWSA-N 3 1 327.516 3.160 20 0 EGADMP C[C@H](CC[NH2+]C[C@H](O)c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000379615036 1297534375 /nfs/dbraw/zinc/53/43/75/1297534375.db2.gz AAYUNSNICUCMON-QRWLVFNGSA-N 2 1 348.437 3.498 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CNC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000385484378 1297583355 /nfs/dbraw/zinc/58/33/55/1297583355.db2.gz BEDIZOMWGXYBGG-CRAIPNDOSA-N 2 1 347.503 3.284 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000385484378 1297583361 /nfs/dbraw/zinc/58/33/61/1297583361.db2.gz BEDIZOMWGXYBGG-CRAIPNDOSA-N 2 1 347.503 3.284 20 0 EGADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400446826 1297730497 /nfs/dbraw/zinc/73/04/97/1297730497.db2.gz PSVMKKJNQBSTHO-INIZCTEOSA-N 2 1 341.540 3.344 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400446826 1297730503 /nfs/dbraw/zinc/73/05/03/1297730503.db2.gz PSVMKKJNQBSTHO-INIZCTEOSA-N 2 1 341.540 3.344 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400559342 1297731245 /nfs/dbraw/zinc/73/12/45/1297731245.db2.gz HIUQLNUCYYRZKF-OAGGEKHMSA-N 2 1 327.513 3.093 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400559342 1297731250 /nfs/dbraw/zinc/73/12/50/1297731250.db2.gz HIUQLNUCYYRZKF-OAGGEKHMSA-N 2 1 327.513 3.093 20 0 EGADMP C[NH+]1CCC(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000585085577 1298024830 /nfs/dbraw/zinc/02/48/30/1298024830.db2.gz DWQHORMUPZYNDN-SEJPIABJSA-N 3 1 327.516 3.256 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000700803862 1298180370 /nfs/dbraw/zinc/18/03/70/1298180370.db2.gz NFXUEEWHJOJEOM-IXDOHACOSA-N 2 1 339.524 3.001 20 0 EGADMP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000704493328 1298208100 /nfs/dbraw/zinc/20/81/00/1298208100.db2.gz FBFARANFGONLLD-OALUTQOASA-N 2 1 345.531 3.167 20 0 EGADMP CO[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C12CCC2 ZINC000708524460 1298240524 /nfs/dbraw/zinc/24/05/24/1298240524.db2.gz SLACIYOIXNTTOI-FRYIKTPZSA-N 2 1 328.500 3.302 20 0 EGADMP OCc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000714966776 1298274296 /nfs/dbraw/zinc/27/42/96/1298274296.db2.gz LYTLDSWVPHBBAQ-NQIIRXRSSA-N 2 1 337.467 3.065 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnc(Cl)cn2)CC1 ZINC000717578171 1298303371 /nfs/dbraw/zinc/30/33/71/1298303371.db2.gz HQOUNCNVKNWAMN-UHFFFAOYSA-N 2 1 344.890 3.474 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnc(Cl)cn2)CC1 ZINC000717578171 1298303384 /nfs/dbraw/zinc/30/33/84/1298303384.db2.gz HQOUNCNVKNWAMN-UHFFFAOYSA-N 2 1 344.890 3.474 20 0 EGADMP CC[C@@H](C)C[C@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000717501625 1298303408 /nfs/dbraw/zinc/30/34/08/1298303408.db2.gz FTSIYBOWPZCWSB-XLIONFOSSA-N 2 1 345.531 3.121 20 0 EGADMP CC(C)[C@H](C(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H](C)[NH3+] ZINC000719928724 1298326802 /nfs/dbraw/zinc/32/68/02/1298326802.db2.gz XIWHYQPQMUVNQF-IHPCNDPISA-N 2 1 345.531 3.119 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@]12CCC[C@H]1OCC2 ZINC000720142233 1298327016 /nfs/dbraw/zinc/32/70/16/1298327016.db2.gz KDIBNBTVQAVFFD-PMXSJFBMSA-N 2 1 328.500 3.446 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000724043655 1298345260 /nfs/dbraw/zinc/34/52/60/1298345260.db2.gz BSUQMECGRPIFAQ-ZACQAIPSSA-N 2 1 339.524 3.001 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000725893106 1298383033 /nfs/dbraw/zinc/38/30/33/1298383033.db2.gz UEARTEDKWDEEIC-UHFFFAOYSA-N 2 1 346.519 3.133 20 0 EGADMP O[C@H](C[N@H+](CCc1ccc(F)cc1)C1CCCC1)C[NH+]1CCCC1 ZINC000746659376 1298636006 /nfs/dbraw/zinc/63/60/06/1298636006.db2.gz NZKFWQNOQYZMMV-FQEVSTJZSA-N 2 1 334.479 3.070 20 0 EGADMP O[C@H](C[N@@H+](CCc1ccc(F)cc1)C1CCCC1)C[NH+]1CCCC1 ZINC000746659376 1298636017 /nfs/dbraw/zinc/63/60/17/1298636017.db2.gz NZKFWQNOQYZMMV-FQEVSTJZSA-N 2 1 334.479 3.070 20 0 EGADMP CO[C@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)C(F)(F)F ZINC000747099738 1298726614 /nfs/dbraw/zinc/72/66/14/1298726614.db2.gz JYSTXZMXPSSCQY-OAHLLOKOSA-N 2 1 332.410 3.312 20 0 EGADMP CO[C@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)C(F)(F)F ZINC000747099738 1298726621 /nfs/dbraw/zinc/72/66/21/1298726621.db2.gz JYSTXZMXPSSCQY-OAHLLOKOSA-N 2 1 332.410 3.312 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1CC2(CCCC2)CC1=O ZINC000747452603 1298784563 /nfs/dbraw/zinc/78/45/63/1298784563.db2.gz HRDCMEUSWIYHIM-UHFFFAOYSA-N 2 1 343.515 3.320 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1CC2(CCCC2)CC1=O ZINC000747452603 1298784569 /nfs/dbraw/zinc/78/45/69/1298784569.db2.gz HRDCMEUSWIYHIM-UHFFFAOYSA-N 2 1 343.515 3.320 20 0 EGADMP ClC1(Cl)C[C@H]1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000877007107 1299111273 /nfs/dbraw/zinc/11/12/73/1299111273.db2.gz CZNGNYAWQIRQGJ-HOTGVXAUSA-N 2 1 327.299 3.334 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(OCC(F)(F)F)c3)CC[C@H]21 ZINC000877745025 1299523421 /nfs/dbraw/zinc/52/34/21/1299523421.db2.gz ZCHYPPSKQLAGMU-GOEBONIOSA-N 2 1 328.378 3.154 20 0 EGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(OCC(F)(F)F)c3)CC[C@H]21 ZINC000877745025 1299523428 /nfs/dbraw/zinc/52/34/28/1299523428.db2.gz ZCHYPPSKQLAGMU-GOEBONIOSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(OCC(F)(F)F)c3)CC[C@H]21 ZINC000877745025 1299523433 /nfs/dbraw/zinc/52/34/33/1299523433.db2.gz ZCHYPPSKQLAGMU-GOEBONIOSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(OCC(F)(F)F)c3)CC[C@H]21 ZINC000877745025 1299523440 /nfs/dbraw/zinc/52/34/40/1299523440.db2.gz ZCHYPPSKQLAGMU-GOEBONIOSA-N 2 1 328.378 3.154 20 0 EGADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000756096583 1300438667 /nfs/dbraw/zinc/43/86/67/1300438667.db2.gz AXVRSWQIZCUJBS-CVEARBPZSA-N 2 1 346.475 3.145 20 0 EGADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000756096583 1300438671 /nfs/dbraw/zinc/43/86/71/1300438671.db2.gz AXVRSWQIZCUJBS-CVEARBPZSA-N 2 1 346.475 3.145 20 0 EGADMP Cc1cccc(Cl)c1NC(=O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249767 1300453368 /nfs/dbraw/zinc/45/33/68/1300453368.db2.gz ALZAKTBEQQIHAM-UHFFFAOYSA-N 2 1 349.906 3.395 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000759133850 1301020593 /nfs/dbraw/zinc/02/05/93/1301020593.db2.gz FXUNJWZMNBGAFW-INIZCTEOSA-N 2 1 341.540 3.391 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000760155058 1301227926 /nfs/dbraw/zinc/22/79/26/1301227926.db2.gz CBNDYEKNYPJWAT-NSHDSACASA-N 2 1 334.291 3.195 20 0 EGADMP CCCCCCNC(=O)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000760832142 1301346534 /nfs/dbraw/zinc/34/65/34/1301346534.db2.gz VSUKWXOHARYYTR-MOPGFXCFSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCCCNC(=O)[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000760832142 1301346537 /nfs/dbraw/zinc/34/65/37/1301346537.db2.gz VSUKWXOHARYYTR-MOPGFXCFSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCCCNC(=O)[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000760832142 1301346548 /nfs/dbraw/zinc/34/65/48/1301346548.db2.gz VSUKWXOHARYYTR-MOPGFXCFSA-N 2 1 337.552 3.269 20 0 EGADMP C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000765240699 1302225790 /nfs/dbraw/zinc/22/57/90/1302225790.db2.gz XPVVEAWNKKHDKW-KRWDZBQOSA-N 2 1 349.588 3.444 20 0 EGADMP CCCCC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000765745208 1302316514 /nfs/dbraw/zinc/31/65/14/1302316514.db2.gz ZOTRDHYZLXGZIV-LJQANCHMSA-N 2 1 331.504 3.062 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C(C)C)[C@@H](C)C1 ZINC000765805509 1302333346 /nfs/dbraw/zinc/33/33/46/1302333346.db2.gz OAYWMUFGQVQUIP-IRXDYDNUSA-N 2 1 341.540 3.342 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1N(C)C ZINC000765975788 1302360602 /nfs/dbraw/zinc/36/06/02/1302360602.db2.gz KDOVNNXJHLVKTI-MAUKXSAKSA-N 2 1 349.494 3.186 20 0 EGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000765973120 1302362030 /nfs/dbraw/zinc/36/20/30/1302362030.db2.gz CQEPWZHSOIOJOB-CBGDNZLLSA-N 2 1 346.515 3.420 20 0 EGADMP Cc1nccn1CC[N@@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000766253709 1302416676 /nfs/dbraw/zinc/41/66/76/1302416676.db2.gz WHUORNMDZUUDGG-UHFFFAOYSA-N 2 1 348.491 3.055 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000766253709 1302416683 /nfs/dbraw/zinc/41/66/83/1302416683.db2.gz WHUORNMDZUUDGG-UHFFFAOYSA-N 2 1 348.491 3.055 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000766253709 1302416686 /nfs/dbraw/zinc/41/66/86/1302416686.db2.gz WHUORNMDZUUDGG-UHFFFAOYSA-N 2 1 348.491 3.055 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC2(COC2)CC1 ZINC000883378189 1302422028 /nfs/dbraw/zinc/42/20/28/1302422028.db2.gz BTANLSQFSBTXQI-PXNSSMCTSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC2(COC2)CC1 ZINC000883378189 1302422034 /nfs/dbraw/zinc/42/20/34/1302422034.db2.gz BTANLSQFSBTXQI-PXNSSMCTSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000883570631 1302506334 /nfs/dbraw/zinc/50/63/34/1302506334.db2.gz JDUQEIQACOTLKS-MRXNPFEDSA-N 2 1 338.455 3.056 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CN2CCSC2=S)CC1)CC1CC1 ZINC000770684785 1303306716 /nfs/dbraw/zinc/30/67/16/1303306716.db2.gz MJXFHYFZUIPTDN-UHFFFAOYSA-N 2 1 341.590 3.112 20 0 EGADMP C[C@H](COCc1ccccc1)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000886081128 1303349510 /nfs/dbraw/zinc/34/95/10/1303349510.db2.gz JHEQMBMXAGXKMC-MJUUVYJYSA-N 2 1 346.515 3.023 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CC4(CCC4)CO3)CC2)cc1 ZINC000886287569 1303422202 /nfs/dbraw/zinc/42/22/02/1303422202.db2.gz UVGLQSIBRKONMZ-FQEVSTJZSA-N 2 1 346.490 3.381 20 0 EGADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)Cc3cccc(Cl)c3)CC2)[nH+]c1C ZINC000886661627 1303542590 /nfs/dbraw/zinc/54/25/90/1303542590.db2.gz ZEPLMIVZTZAOCO-GOSISDBHSA-N 2 1 347.890 3.463 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)cc(=O)oc2c1C ZINC000886874514 1303622323 /nfs/dbraw/zinc/62/23/23/1303622323.db2.gz PNVNLWOUMDHYCB-NRFANRHFSA-N 2 1 340.467 3.375 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)cc(=O)oc2c1C ZINC000886874514 1303622329 /nfs/dbraw/zinc/62/23/29/1303622329.db2.gz PNVNLWOUMDHYCB-NRFANRHFSA-N 2 1 340.467 3.375 20 0 EGADMP CC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCc2ccccc2C1 ZINC000774108028 1303774532 /nfs/dbraw/zinc/77/45/32/1303774532.db2.gz DTPJQKSWPMYOPZ-ASJDWODUSA-N 2 1 327.516 3.038 20 0 EGADMP CC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+]1CCc2ccccc2C1 ZINC000774108028 1303774536 /nfs/dbraw/zinc/77/45/36/1303774536.db2.gz DTPJQKSWPMYOPZ-ASJDWODUSA-N 2 1 327.516 3.038 20 0 EGADMP CC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+]1CCc2ccccc2C1 ZINC000774108028 1303774542 /nfs/dbraw/zinc/77/45/42/1303774542.db2.gz DTPJQKSWPMYOPZ-ASJDWODUSA-N 2 1 327.516 3.038 20 0 EGADMP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCc2ccccc2C1 ZINC000774108028 1303774544 /nfs/dbraw/zinc/77/45/44/1303774544.db2.gz DTPJQKSWPMYOPZ-ASJDWODUSA-N 2 1 327.516 3.038 20 0 EGADMP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCc2ccccc2C1 ZINC000774108028 1303774551 /nfs/dbraw/zinc/77/45/51/1303774551.db2.gz DTPJQKSWPMYOPZ-ASJDWODUSA-N 2 1 327.516 3.038 20 0 EGADMP CCCCCCNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000775686703 1304015803 /nfs/dbraw/zinc/01/58/03/1304015803.db2.gz JBGNZPOPBLUKLA-AZUAARDMSA-N 2 1 345.531 3.183 20 0 EGADMP CCCCCCNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000775686703 1304015807 /nfs/dbraw/zinc/01/58/07/1304015807.db2.gz JBGNZPOPBLUKLA-AZUAARDMSA-N 2 1 345.531 3.183 20 0 EGADMP CC(C)(C)OC(=O)NC1(C)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000781975061 1304897229 /nfs/dbraw/zinc/89/72/29/1304897229.db2.gz UYCABIKLCXEWEU-UHFFFAOYSA-N 2 1 339.524 3.242 20 0 EGADMP CC[NH+](CC)CCCC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC000782749321 1305009627 /nfs/dbraw/zinc/00/96/27/1305009627.db2.gz IMLJOWUQVIEJPA-UHFFFAOYSA-N 2 1 348.535 3.332 20 0 EGADMP C[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000783234768 1305068193 /nfs/dbraw/zinc/06/81/93/1305068193.db2.gz SSUGVNANLJGZKX-UZLBHIALSA-N 2 1 332.488 3.064 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccc2NCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000892335568 1305322209 /nfs/dbraw/zinc/32/22/09/1305322209.db2.gz UTTKGUADVQBRRI-IRXDYDNUSA-N 2 1 331.504 3.050 20 0 EGADMP CCn1cc(C[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)nn1 ZINC000892598979 1305460729 /nfs/dbraw/zinc/46/07/29/1305460729.db2.gz FKBVCDOUYZYEAC-CALCHBBNSA-N 2 1 341.503 3.066 20 0 EGADMP CCn1cc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)nn1 ZINC000892598979 1305460731 /nfs/dbraw/zinc/46/07/31/1305460731.db2.gz FKBVCDOUYZYEAC-CALCHBBNSA-N 2 1 341.503 3.066 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000892760161 1305543028 /nfs/dbraw/zinc/54/30/28/1305543028.db2.gz VULISUUKCQXFPM-UHFFFAOYSA-N 2 1 344.459 3.006 20 0 EGADMP C[N@@H+](CCOC(=O)[C@H]1CCC[NH+]1C1CCCC1)Cc1ccc(F)cc1 ZINC000786893838 1305649854 /nfs/dbraw/zinc/64/98/54/1305649854.db2.gz XOCPDESXWKYUNB-LJQANCHMSA-N 2 1 348.462 3.208 20 0 EGADMP C[NH+](CCOC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)Cc1ccc(F)cc1 ZINC000786893838 1305649861 /nfs/dbraw/zinc/64/98/61/1305649861.db2.gz XOCPDESXWKYUNB-LJQANCHMSA-N 2 1 348.462 3.208 20 0 EGADMP C[NH+](CCOC(=O)[C@H]1CCC[N@H+]1C1CCCC1)Cc1ccc(F)cc1 ZINC000786893838 1305649870 /nfs/dbraw/zinc/64/98/70/1305649870.db2.gz XOCPDESXWKYUNB-LJQANCHMSA-N 2 1 348.462 3.208 20 0 EGADMP CNc1cc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)ncn1 ZINC000893038244 1305675456 /nfs/dbraw/zinc/67/54/56/1305675456.db2.gz WUTKASNARRDBFG-UHFFFAOYSA-N 2 1 337.471 3.011 20 0 EGADMP C[NH+]1CCC(CN2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000788474252 1305951671 /nfs/dbraw/zinc/95/16/71/1305951671.db2.gz OHDYFEMPGOFJGM-UHFFFAOYSA-N 2 1 337.511 3.299 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)CC1 ZINC000788489675 1305955442 /nfs/dbraw/zinc/95/54/42/1305955442.db2.gz ZSWMRWIESJOGMX-IBGZPJMESA-N 2 1 344.503 3.004 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCc3ccc(Cl)nc32)C[C@H](C)O1 ZINC000788646893 1305990317 /nfs/dbraw/zinc/99/03/17/1305990317.db2.gz TVGKRRAMKWSYLE-LZWOXQAQSA-N 2 1 337.895 3.201 20 0 EGADMP CCn1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)n1 ZINC000894112841 1306226078 /nfs/dbraw/zinc/22/60/78/1306226078.db2.gz HQMLEVVQNFZCEL-UHFFFAOYSA-N 2 1 327.476 3.124 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnc(CC(F)(F)F)s3)C2)CC1 ZINC000894480293 1308914996 /nfs/dbraw/zinc/91/49/96/1308914996.db2.gz YLAAFNNWFPAVQD-CYBMUJFWSA-N 2 1 347.450 3.412 20 0 EGADMP CC1([NH+]2CCCC2)CCC(Nc2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000895526994 1309384924 /nfs/dbraw/zinc/38/49/24/1309384924.db2.gz AQRBBTLDVZWWRU-UHFFFAOYSA-N 2 1 329.492 3.286 20 0 EGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795932492 1309865260 /nfs/dbraw/zinc/86/52/60/1309865260.db2.gz DTRRIFSSYNMEHU-KRWDZBQOSA-N 2 1 338.536 3.410 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795932492 1309865263 /nfs/dbraw/zinc/86/52/63/1309865263.db2.gz DTRRIFSSYNMEHU-KRWDZBQOSA-N 2 1 338.536 3.410 20 0 EGADMP C[NH+](C)CCCOc1ccc(NCc2ncc(C[NH+](C)C)s2)cc1 ZINC000796332938 1309970266 /nfs/dbraw/zinc/97/02/66/1309970266.db2.gz QVRZOGZGRNLUCB-UHFFFAOYSA-N 2 1 348.516 3.147 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccn(-c4cccc(F)c4)n3)C2)CC1 ZINC000799178583 1310499797 /nfs/dbraw/zinc/49/97/97/1310499797.db2.gz WIDGCCSRFLLOPN-UHFFFAOYSA-N 2 1 342.462 3.319 20 0 EGADMP c1ccc([C@H]2CC[NH+](CCC[N@H+]3CC[C@H](c4ccccn4)C3)C2)nc1 ZINC000799189896 1310501945 /nfs/dbraw/zinc/50/19/45/1310501945.db2.gz IGTMSURAIPAPRV-OALUTQOASA-N 2 1 336.483 3.146 20 0 EGADMP C(=C\C[N@H+]1CC[C@@H](c2ccccn2)C1)\C[NH+]1CC[C@H](c2ccccn2)C1 ZINC000799192904 1310506642 /nfs/dbraw/zinc/50/66/42/1310506642.db2.gz FBUHRQSRJYNRKS-GGJLBNBESA-N 2 1 348.494 3.312 20 0 EGADMP C(=C\C[N@@H+]1CC[C@H](c2ccccn2)C1)\C[NH+]1CC[C@@H](c2ccccn2)C1 ZINC000799192904 1310506651 /nfs/dbraw/zinc/50/66/51/1310506651.db2.gz FBUHRQSRJYNRKS-GGJLBNBESA-N 2 1 348.494 3.312 20 0 EGADMP C(=C\C[N@H+]1CC[C@H](c2ccccn2)C1)\C[NH+]1CC[C@@H](c2ccccn2)C1 ZINC000799192904 1310506659 /nfs/dbraw/zinc/50/66/59/1310506659.db2.gz FBUHRQSRJYNRKS-GGJLBNBESA-N 2 1 348.494 3.312 20 0 EGADMP c1cc(C[N@H+]2CCC[C@H](C3OCCO3)C2)ccc1C[NH+]1CCCCC1 ZINC000839478910 1320927288 /nfs/dbraw/zinc/92/72/88/1320927288.db2.gz IPLAQYCHZMFCOL-FQEVSTJZSA-N 2 1 344.499 3.257 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001018968208 1316989665 /nfs/dbraw/zinc/98/96/65/1316989665.db2.gz XYAVSRHVLQZVTA-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001019632313 1317311611 /nfs/dbraw/zinc/31/16/11/1317311611.db2.gz IIKQDQPCOJFSGL-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)c1 ZINC000900650589 1317318613 /nfs/dbraw/zinc/31/86/13/1317318613.db2.gz CRFBKBWZDRKBTB-UXHICEINSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)c1 ZINC000900650589 1317318624 /nfs/dbraw/zinc/31/86/24/1317318624.db2.gz CRFBKBWZDRKBTB-UXHICEINSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)c1 ZINC000900650589 1317318634 /nfs/dbraw/zinc/31/86/34/1317318634.db2.gz CRFBKBWZDRKBTB-UXHICEINSA-N 2 1 343.515 3.160 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)C1C[NH+](CCC(C)C)C1 ZINC000957444759 1317367107 /nfs/dbraw/zinc/36/71/07/1317367107.db2.gz AGAUEBUUCVGPNM-UHFFFAOYSA-N 2 1 349.519 3.314 20 0 EGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(N(C)C)c3ccccc23)CC[N@@H+]1C ZINC000929782967 1328699852 /nfs/dbraw/zinc/69/98/52/1328699852.db2.gz OEIXAWIYQYMJDU-RDJZCZTQSA-N 2 1 326.488 3.215 20 0 EGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(N(C)C)c3ccccc23)CC[N@H+]1C ZINC000929782967 1328699856 /nfs/dbraw/zinc/69/98/56/1328699856.db2.gz OEIXAWIYQYMJDU-RDJZCZTQSA-N 2 1 326.488 3.215 20 0 EGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc(N(C)C)c3ccccc23)CC[NH+]1C ZINC000929782967 1328699861 /nfs/dbraw/zinc/69/98/61/1328699861.db2.gz OEIXAWIYQYMJDU-RDJZCZTQSA-N 2 1 326.488 3.215 20 0 EGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc(N(C)C)c3ccccc23)CC[NH+]1C ZINC000929782967 1328699867 /nfs/dbraw/zinc/69/98/67/1328699867.db2.gz OEIXAWIYQYMJDU-RDJZCZTQSA-N 2 1 326.488 3.215 20 0 EGADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000902418693 1317576999 /nfs/dbraw/zinc/57/69/99/1317576999.db2.gz YJUWOCXXRHNGOB-OAHLLOKOSA-N 2 1 336.439 3.055 20 0 EGADMP [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000902436997 1317578731 /nfs/dbraw/zinc/57/87/31/1317578731.db2.gz GDNSUWFSSKESBM-QGAVKGNSSA-N 2 1 347.506 3.396 20 0 EGADMP CC[N@@H+](CC1CCCC1)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000957720836 1317588774 /nfs/dbraw/zinc/58/87/74/1317588774.db2.gz ZXPJYYBXYUWHFX-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1)C(C)C ZINC000957726604 1317593536 /nfs/dbraw/zinc/59/35/36/1317593536.db2.gz VWEYEWQTAGOMAE-UHFFFAOYSA-N 2 1 342.487 3.225 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001020214328 1317595853 /nfs/dbraw/zinc/59/58/53/1317595853.db2.gz PVACDQSJCZYXPP-MUGJNUQGSA-N 2 1 343.515 3.249 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001020214431 1317596512 /nfs/dbraw/zinc/59/65/12/1317596512.db2.gz STMINAKGVXDRIW-VBSBHUPXSA-N 2 1 343.515 3.167 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001020239281 1317604869 /nfs/dbraw/zinc/60/48/69/1317604869.db2.gz VKZJECGBVZOKPD-LEAZDLGRSA-N 2 1 343.515 3.247 20 0 EGADMP CC[N@@H+](CC1CCCC1)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000957753395 1317622709 /nfs/dbraw/zinc/62/27/09/1317622709.db2.gz MWGBFOLTCYYESQ-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CC1CCCC1)CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000957753395 1317622716 /nfs/dbraw/zinc/62/27/16/1317622716.db2.gz MWGBFOLTCYYESQ-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CC1CCCC1)CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000957753395 1317622725 /nfs/dbraw/zinc/62/27/25/1317622725.db2.gz MWGBFOLTCYYESQ-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)c1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)cc1 ZINC001020301320 1317635618 /nfs/dbraw/zinc/63/56/18/1317635618.db2.gz XNKIRCMITLDUKY-VAMGGRTRSA-N 2 1 343.515 3.031 20 0 EGADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000957782569 1317644269 /nfs/dbraw/zinc/64/42/69/1317644269.db2.gz IYEYVTWVBDWSGH-UYAOXDASSA-N 2 1 343.515 3.075 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000957782569 1317644273 /nfs/dbraw/zinc/64/42/73/1317644273.db2.gz IYEYVTWVBDWSGH-UYAOXDASSA-N 2 1 343.515 3.075 20 0 EGADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903076878 1317647879 /nfs/dbraw/zinc/64/78/79/1317647879.db2.gz VLPLCAORRCWEJJ-NPZYAJIESA-N 2 1 333.564 3.490 20 0 EGADMP COc1ccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1OC ZINC000903078328 1317648532 /nfs/dbraw/zinc/64/85/32/1317648532.db2.gz GHSMTIDZRGQUIC-JLYLLQBASA-N 2 1 344.499 3.384 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc2c(c1)CC(=O)N2C ZINC000903089867 1317650628 /nfs/dbraw/zinc/65/06/28/1317650628.db2.gz UKPYEANWIZHMBP-ZEIDCXACSA-N 2 1 339.483 3.014 20 0 EGADMP COc1ccc2[nH]cc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)c2c1 ZINC000903096714 1317652101 /nfs/dbraw/zinc/65/21/01/1317652101.db2.gz JLNQHDCYFOJLFF-ZNXRZULTSA-N 2 1 339.483 3.466 20 0 EGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1C ZINC000903116334 1317656296 /nfs/dbraw/zinc/65/62/96/1317656296.db2.gz HEYLFKPCQOBXJP-MYGYKHERSA-N 2 1 330.516 3.434 20 0 EGADMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(C)c1 ZINC000903121001 1317657127 /nfs/dbraw/zinc/65/71/27/1317657127.db2.gz ZHMUIZMNYCVBHV-YNWKUBOOSA-N 2 1 330.516 3.434 20 0 EGADMP CCc1cccnc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000903121092 1317657202 /nfs/dbraw/zinc/65/72/02/1317657202.db2.gz RSHUDLZWSALMIP-MAWREPJSSA-N 2 1 345.531 3.164 20 0 EGADMP CC1CCC2(CC1)OC[C@H](C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)O2 ZINC000903141893 1317662562 /nfs/dbraw/zinc/66/25/62/1317662562.db2.gz TVRQEEOBABWUSA-LFIDDVRHSA-N 2 1 334.504 3.056 20 0 EGADMP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)NC(=O)OC(C)(C)C ZINC000903179684 1317668799 /nfs/dbraw/zinc/66/87/99/1317668799.db2.gz SRXVMBGQJFYKKN-ZBSSRIJBSA-N 2 1 337.508 3.037 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000903214332 1317674600 /nfs/dbraw/zinc/67/46/00/1317674600.db2.gz YGUWSDZKZGIJHG-DITUJHHDSA-N 2 1 327.428 3.342 20 0 EGADMP Cn1cnc2cc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)ccc21 ZINC000903206747 1317675278 /nfs/dbraw/zinc/67/52/78/1317675278.db2.gz KYOTWNASOHSWCN-UHFFFAOYSA-N 2 1 348.494 3.370 20 0 EGADMP C[C@@H](COCC1CCCCC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000903355058 1317690442 /nfs/dbraw/zinc/69/04/42/1317690442.db2.gz QYVKIAMSHCCLMU-FXAWDEMLSA-N 2 1 338.536 3.205 20 0 EGADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2cn(C)cn2)ccc1OC ZINC000903352216 1317690524 /nfs/dbraw/zinc/69/05/24/1317690524.db2.gz ULOKFNGCWLINGM-HNNXBMFYSA-N 2 1 330.476 3.121 20 0 EGADMP O[C@H](CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000903408513 1317697713 /nfs/dbraw/zinc/69/77/13/1317697713.db2.gz RXHMLVDLDXJXGB-OTYNDTSQSA-N 2 1 328.500 3.323 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1CC[NH3+] ZINC000903496438 1317706264 /nfs/dbraw/zinc/70/62/64/1317706264.db2.gz NTIKBCXYLGVOSS-VXGBXAGGSA-N 2 1 344.286 3.239 20 0 EGADMP Cc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c(Cl)c1 ZINC000903507215 1317706704 /nfs/dbraw/zinc/70/67/04/1317706704.db2.gz RJZPNOGKGSRGDZ-HDICACEKSA-N 2 1 333.907 3.049 20 0 EGADMP FC(F)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1 ZINC000903508435 1317707006 /nfs/dbraw/zinc/70/70/06/1317707006.db2.gz GTNOYGOVFTVWTI-HDICACEKSA-N 2 1 335.442 3.025 20 0 EGADMP FC(F)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1 ZINC000903508435 1317707008 /nfs/dbraw/zinc/70/70/08/1317707008.db2.gz GTNOYGOVFTVWTI-HDICACEKSA-N 2 1 335.442 3.025 20 0 EGADMP FC(F)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1 ZINC000903508435 1317707010 /nfs/dbraw/zinc/70/70/10/1317707010.db2.gz GTNOYGOVFTVWTI-HDICACEKSA-N 2 1 335.442 3.025 20 0 EGADMP Clc1ccc([C@@H]2CC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903729433 1317726747 /nfs/dbraw/zinc/72/67/47/1317726747.db2.gz MUTSFFSDVUOIJW-AEFFLSMTSA-N 2 1 334.891 3.288 20 0 EGADMP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903735414 1317728352 /nfs/dbraw/zinc/72/83/52/1317728352.db2.gz ZSEBTLDPZQECFP-GPMSIDNRSA-N 2 1 332.463 3.367 20 0 EGADMP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](C[C@H]4CCCC[NH2+]C4)C3)nc2c1 ZINC000903751703 1317729957 /nfs/dbraw/zinc/72/99/57/1317729957.db2.gz IHJGCGVETAOSJQ-DLBZAZTESA-N 2 1 326.488 3.440 20 0 EGADMP Cc1ccc2nc([C@@H]3CCC[N@H+](C[C@H]4CCCC[NH2+]C4)C3)[nH]c2c1 ZINC000903751703 1317729960 /nfs/dbraw/zinc/72/99/60/1317729960.db2.gz IHJGCGVETAOSJQ-DLBZAZTESA-N 2 1 326.488 3.440 20 0 EGADMP Cc1ccc2nc([C@@H]3CCC[N@@H+](C[C@H]4CCCC[NH2+]C4)C3)[nH]c2c1 ZINC000903751703 1317729966 /nfs/dbraw/zinc/72/99/66/1317729966.db2.gz IHJGCGVETAOSJQ-DLBZAZTESA-N 2 1 326.488 3.440 20 0 EGADMP C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903757169 1317730455 /nfs/dbraw/zinc/73/04/55/1317730455.db2.gz YVGIQLZNOWJUCZ-CQSZACIVSA-N 2 1 326.843 3.070 20 0 EGADMP COc1ccc(F)cc1-c1cncc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000903759881 1317731118 /nfs/dbraw/zinc/73/11/18/1317731118.db2.gz STYHHRVJUODWOG-WMLDXEAASA-N 2 1 343.446 3.313 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001020499927 1317731178 /nfs/dbraw/zinc/73/11/78/1317731178.db2.gz INIGPMLZFXHTQZ-UFYCRDLUSA-N 2 1 349.563 3.316 20 0 EGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000903848855 1317739526 /nfs/dbraw/zinc/73/95/26/1317739526.db2.gz UHKPEOMIBNZIAI-SRVKXCTJSA-N 2 1 342.270 3.134 20 0 EGADMP CCC[N@@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)[C@@H]1CCc2ccccc21 ZINC000903883948 1317740427 /nfs/dbraw/zinc/74/04/27/1317740427.db2.gz MVWCQPNVRJFFRV-DYESRHJHSA-N 2 1 340.515 3.245 20 0 EGADMP CC[C@@H](C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000903980093 1317760425 /nfs/dbraw/zinc/76/04/25/1317760425.db2.gz HBLYMUIWHYYDFQ-DZFGPLHGSA-N 2 1 327.516 3.081 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000904374754 1317838453 /nfs/dbraw/zinc/83/84/53/1317838453.db2.gz WGMLKVQFINKXAM-CPUCHLNUSA-N 2 1 342.405 3.482 20 0 EGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)C1 ZINC000904380407 1317839747 /nfs/dbraw/zinc/83/97/47/1317839747.db2.gz LWMNMJAPXANOKQ-OSAQELSMSA-N 2 1 341.318 3.353 20 0 EGADMP COc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)c1OC ZINC000809660001 1317858783 /nfs/dbraw/zinc/85/87/83/1317858783.db2.gz INNXDGQJUQFURX-UHFFFAOYSA-N 2 1 332.488 3.320 20 0 EGADMP CC[C@@H](C)C[C@H]([NH3+])c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000904603162 1317867908 /nfs/dbraw/zinc/86/79/08/1317867908.db2.gz CRBCGPWDNVBAFZ-HIFRSBDPSA-N 2 1 332.448 3.113 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)Nc1ccccc1C[NH3+])c1ccccc1Cl ZINC000904663896 1317878552 /nfs/dbraw/zinc/87/85/52/1317878552.db2.gz ALVKLCOYUCLZFU-QGZVFWFLSA-N 2 1 346.862 3.223 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809764732 1317894117 /nfs/dbraw/zinc/89/41/17/1317894117.db2.gz HLTWGRPRCYHJAW-CVEARBPZSA-N 2 1 341.540 3.294 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809764732 1317894125 /nfs/dbraw/zinc/89/41/25/1317894125.db2.gz HLTWGRPRCYHJAW-CVEARBPZSA-N 2 1 341.540 3.294 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809764732 1317894132 /nfs/dbraw/zinc/89/41/32/1317894132.db2.gz HLTWGRPRCYHJAW-CVEARBPZSA-N 2 1 341.540 3.294 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809764732 1317894138 /nfs/dbraw/zinc/89/41/38/1317894138.db2.gz HLTWGRPRCYHJAW-CVEARBPZSA-N 2 1 341.540 3.294 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809764736 1317894596 /nfs/dbraw/zinc/89/45/96/1317894596.db2.gz HLTWGRPRCYHJAW-JKSUJKDBSA-N 2 1 341.540 3.294 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809764736 1317894604 /nfs/dbraw/zinc/89/46/04/1317894604.db2.gz HLTWGRPRCYHJAW-JKSUJKDBSA-N 2 1 341.540 3.294 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809764736 1317894607 /nfs/dbraw/zinc/89/46/07/1317894607.db2.gz HLTWGRPRCYHJAW-JKSUJKDBSA-N 2 1 341.540 3.294 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809764736 1317894615 /nfs/dbraw/zinc/89/46/15/1317894615.db2.gz HLTWGRPRCYHJAW-JKSUJKDBSA-N 2 1 341.540 3.294 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N2CCCCC2=O)cc1 ZINC000810262811 1317988654 /nfs/dbraw/zinc/98/86/54/1317988654.db2.gz XWKQWKHTNDGINT-HQRMLTQVSA-N 2 1 341.499 3.481 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H]3C[C@@H]3c3cccc(F)c3)CC2)CC1 ZINC000906589549 1318120588 /nfs/dbraw/zinc/12/05/88/1318120588.db2.gz DHNOBBGSDGZPIZ-NHCUHLMSSA-N 2 1 345.506 3.172 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC000959925381 1318268703 /nfs/dbraw/zinc/26/87/03/1318268703.db2.gz NJQKFQDVBGIADS-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001021470003 1318269605 /nfs/dbraw/zinc/26/96/05/1318269605.db2.gz QWDDTDNQUJJZOH-IPQPSQTFSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001021470003 1318269610 /nfs/dbraw/zinc/26/96/10/1318269610.db2.gz QWDDTDNQUJJZOH-IPQPSQTFSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001021470003 1318269618 /nfs/dbraw/zinc/26/96/18/1318269618.db2.gz QWDDTDNQUJJZOH-IPQPSQTFSA-N 2 1 335.536 3.019 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1)C1CCC1 ZINC000960021362 1318317021 /nfs/dbraw/zinc/31/70/21/1318317021.db2.gz BPAWNYATZHGXOG-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP COc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000909020012 1318427671 /nfs/dbraw/zinc/42/76/71/1318427671.db2.gz KNDFJMXVSZQVTD-UYAOXDASSA-N 2 1 332.488 3.069 20 0 EGADMP COc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000909020012 1318427676 /nfs/dbraw/zinc/42/76/76/1318427676.db2.gz KNDFJMXVSZQVTD-UYAOXDASSA-N 2 1 332.488 3.069 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021624868 1318475719 /nfs/dbraw/zinc/47/57/19/1318475719.db2.gz ZSKMHQSSTHIWIU-HKUYNNGSSA-N 2 1 340.471 3.061 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670621 1318534487 /nfs/dbraw/zinc/53/44/87/1318534487.db2.gz NEIDDPKELGOBHI-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021670621 1318534493 /nfs/dbraw/zinc/53/44/93/1318534493.db2.gz NEIDDPKELGOBHI-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021670621 1318534503 /nfs/dbraw/zinc/53/45/03/1318534503.db2.gz NEIDDPKELGOBHI-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021705964 1318578367 /nfs/dbraw/zinc/57/83/67/1318578367.db2.gz HQQQIGAYNULPIJ-PMACEKPBSA-N 2 1 349.563 3.076 20 0 EGADMP Cc1c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cnn1C ZINC000813789300 1318631797 /nfs/dbraw/zinc/63/17/97/1318631797.db2.gz ORJJGRFCZCCAHP-SEJPIABJSA-N 2 1 338.499 3.404 20 0 EGADMP Cc1c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cnn1C ZINC000813789300 1318631804 /nfs/dbraw/zinc/63/18/04/1318631804.db2.gz ORJJGRFCZCCAHP-SEJPIABJSA-N 2 1 338.499 3.404 20 0 EGADMP CC(C)[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021742120 1318655583 /nfs/dbraw/zinc/65/55/83/1318655583.db2.gz JWTVBIGZAVHPCM-VQTJNVASSA-N 2 1 343.515 3.083 20 0 EGADMP S=c1[nH]ccn1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814225905 1318706221 /nfs/dbraw/zinc/70/62/21/1318706221.db2.gz YLOGVUMJSXYYBM-UHFFFAOYSA-N 2 1 342.512 3.117 20 0 EGADMP S=c1[nH]ccn1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814225905 1318706229 /nfs/dbraw/zinc/70/62/29/1318706229.db2.gz YLOGVUMJSXYYBM-UHFFFAOYSA-N 2 1 342.512 3.117 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000960631020 1318755846 /nfs/dbraw/zinc/75/58/46/1318755846.db2.gz ZLDICYNDAMAKFD-MOPGFXCFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC000960631020 1318755847 /nfs/dbraw/zinc/75/58/47/1318755847.db2.gz ZLDICYNDAMAKFD-MOPGFXCFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC000960631020 1318755851 /nfs/dbraw/zinc/75/58/51/1318755851.db2.gz ZLDICYNDAMAKFD-MOPGFXCFSA-N 2 1 349.563 3.218 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C)CC1CCCCCC1 ZINC000960712801 1318816894 /nfs/dbraw/zinc/81/68/94/1318816894.db2.gz UYQAEFRWYZYKBF-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001022195621 1318837799 /nfs/dbraw/zinc/83/77/99/1318837799.db2.gz DXBJQOPWYQLVHZ-SLFFLAALSA-N 2 1 347.547 3.092 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN1C(=O)CCn1ccnc1)CC1CCCCCC1 ZINC000960774302 1318874598 /nfs/dbraw/zinc/87/45/98/1318874598.db2.gz IJKFXXFDETVYRQ-IBGZPJMESA-N 2 1 346.519 3.166 20 0 EGADMP C[N@H+](Cc1ccsc1)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC000960785724 1318887827 /nfs/dbraw/zinc/88/78/27/1318887827.db2.gz IBEDTMHFKZGYQC-QGZVFWFLSA-N 2 1 349.544 3.045 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC000960787530 1318890083 /nfs/dbraw/zinc/89/00/83/1318890083.db2.gz NTJMXKRQFGTKJT-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2c(F)cc(F)cc2F)cc1 ZINC000815152491 1318913381 /nfs/dbraw/zinc/91/33/81/1318913381.db2.gz VFUYACNVIBAQOK-UHFFFAOYSA-N 2 1 338.373 3.334 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2C[NH+](C)CC2CCCCCC2)C1 ZINC000960859990 1319002976 /nfs/dbraw/zinc/00/29/76/1319002976.db2.gz CXRGMWUZHLIWNG-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCCCCC2)C1 ZINC000960859990 1319002984 /nfs/dbraw/zinc/00/29/84/1319002984.db2.gz CXRGMWUZHLIWNG-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCCCCC2)C1 ZINC000960859990 1319002995 /nfs/dbraw/zinc/00/29/95/1319002995.db2.gz CXRGMWUZHLIWNG-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001022717073 1319080610 /nfs/dbraw/zinc/08/06/10/1319080610.db2.gz OVGUIRJORUBQCE-HCXYKTFWSA-N 2 1 349.563 3.172 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001022717045 1319081663 /nfs/dbraw/zinc/08/16/63/1319081663.db2.gz NLBHFYHOQCJSRY-HDICACEKSA-N 2 1 349.563 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccsc1 ZINC000961030804 1319153870 /nfs/dbraw/zinc/15/38/70/1319153870.db2.gz FXBLDIZQUCGDOM-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccsc1 ZINC000961030804 1319153872 /nfs/dbraw/zinc/15/38/72/1319153872.db2.gz FXBLDIZQUCGDOM-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccsc1 ZINC000961030804 1319153873 /nfs/dbraw/zinc/15/38/73/1319153873.db2.gz FXBLDIZQUCGDOM-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001023274258 1319408287 /nfs/dbraw/zinc/40/82/87/1319408287.db2.gz WPEUNVAZZVLTOU-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001023274258 1319408288 /nfs/dbraw/zinc/40/82/88/1319408288.db2.gz WPEUNVAZZVLTOU-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001023274258 1319408293 /nfs/dbraw/zinc/40/82/93/1319408293.db2.gz WPEUNVAZZVLTOU-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000817906217 1319456423 /nfs/dbraw/zinc/45/64/23/1319456423.db2.gz YMNVMAMPKCYPEV-USCONSEESA-N 2 1 334.463 3.421 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961411458 1319566280 /nfs/dbraw/zinc/56/62/80/1319566280.db2.gz NNKNKLKLGKHXAI-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000961411458 1319566285 /nfs/dbraw/zinc/56/62/85/1319566285.db2.gz NNKNKLKLGKHXAI-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000961411458 1319566291 /nfs/dbraw/zinc/56/62/91/1319566291.db2.gz NNKNKLKLGKHXAI-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000961415065 1319570761 /nfs/dbraw/zinc/57/07/61/1319570761.db2.gz LMXOXJLVOFGZAF-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000818988981 1319607973 /nfs/dbraw/zinc/60/79/73/1319607973.db2.gz XSIWMXUQXNBBTL-APWZRJJASA-N 2 1 330.497 3.283 20 0 EGADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000818988981 1319607980 /nfs/dbraw/zinc/60/79/80/1319607980.db2.gz XSIWMXUQXNBBTL-APWZRJJASA-N 2 1 330.497 3.283 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC000819152633 1319649016 /nfs/dbraw/zinc/64/90/16/1319649016.db2.gz YCXPSOOYJAEATP-UTKZUKDTSA-N 2 1 326.484 3.441 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000819182902 1319660846 /nfs/dbraw/zinc/66/08/46/1319660846.db2.gz RWQVOYYREUGJKO-KBXCAEBGSA-N 2 1 342.886 3.470 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646219 1319766644 /nfs/dbraw/zinc/76/66/44/1319766644.db2.gz KEYTZQQZXXMUIY-HKUYNNGSSA-N 2 1 345.531 3.236 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CC3CCCC3)C2)CC1 ZINC001023678129 1319792711 /nfs/dbraw/zinc/79/27/11/1319792711.db2.gz QCDGWTVXPOWQJT-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC(C[NH2+]CC3CC(C)(C)C3)C2)C1 ZINC000962215867 1319861462 /nfs/dbraw/zinc/86/14/62/1319861462.db2.gz DZSMZQSBALFLOY-CUYAVPTFSA-N 2 1 349.563 3.029 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000820809506 1319957706 /nfs/dbraw/zinc/95/77/06/1319957706.db2.gz CHGIHOOMHZFSOD-JAGQDSLRSA-N 2 1 328.500 3.465 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1 ZINC000821982885 1320045202 /nfs/dbraw/zinc/04/52/02/1320045202.db2.gz NLUGOZDHSQYELE-HZPDHXFCSA-N 2 1 339.524 3.096 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C(=O)[C@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000840001289 1321011987 /nfs/dbraw/zinc/01/19/87/1321011987.db2.gz ZBHICSLHAUMIGB-WOJBJXKFSA-N 2 1 347.547 3.035 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@@H](C)C[NH3+] ZINC000841048344 1321209489 /nfs/dbraw/zinc/20/94/89/1321209489.db2.gz HSXBSOGTYZPUPC-NSHDSACASA-N 2 1 341.286 3.231 20 0 EGADMP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212898 1328946939 /nfs/dbraw/zinc/94/69/39/1328946939.db2.gz CRTBNQFEYBSCRQ-OAHLLOKOSA-N 2 1 343.446 3.346 20 0 EGADMP C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212898 1328946943 /nfs/dbraw/zinc/94/69/43/1328946943.db2.gz CRTBNQFEYBSCRQ-OAHLLOKOSA-N 2 1 343.446 3.346 20 0 EGADMP COc1ncc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1Cl ZINC000859213041 1328947308 /nfs/dbraw/zinc/94/73/08/1328947308.db2.gz SZUGXTIPHXRKPJ-UHFFFAOYSA-N 2 1 333.863 3.437 20 0 EGADMP COc1ncc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1Cl ZINC000859213041 1328947314 /nfs/dbraw/zinc/94/73/14/1328947314.db2.gz SZUGXTIPHXRKPJ-UHFFFAOYSA-N 2 1 333.863 3.437 20 0 EGADMP COC(=O)c1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000859215042 1328947878 /nfs/dbraw/zinc/94/78/78/1328947878.db2.gz XNTYQKHXRKMUCR-CQSZACIVSA-N 2 1 330.428 3.321 20 0 EGADMP CCN(C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000859215071 1328948488 /nfs/dbraw/zinc/94/84/88/1328948488.db2.gz YABWPFKXBNRHIB-UHFFFAOYSA-N 2 1 339.483 3.233 20 0 EGADMP CCN(C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000859215071 1328948492 /nfs/dbraw/zinc/94/84/92/1328948492.db2.gz YABWPFKXBNRHIB-UHFFFAOYSA-N 2 1 339.483 3.233 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859216063 1328949471 /nfs/dbraw/zinc/94/94/71/1328949471.db2.gz WZIDXADDGOBDAV-FXAWDEMLSA-N 2 1 345.531 3.360 20 0 EGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Cl)nc(Cl)c3)CC2)C1 ZINC000842478656 1321394194 /nfs/dbraw/zinc/39/41/94/1321394194.db2.gz JEEFYXYMKQDLNX-UONOGXRCSA-N 2 1 344.286 3.107 20 0 EGADMP CC[NH+](CC)[C@H](c1nc(CC2CC[NH2+]CC2)no1)c1ccccc1 ZINC000843135689 1321475778 /nfs/dbraw/zinc/47/57/78/1321475778.db2.gz BIKUGPGNQXPWRH-SFHVURJKSA-N 2 1 328.460 3.043 20 0 EGADMP [NH3+]CCCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000843342410 1321502623 /nfs/dbraw/zinc/50/26/23/1321502623.db2.gz QGNCFQYVTNUULG-QHAWAJNXSA-N 3 1 329.532 3.396 20 0 EGADMP C[N@@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CCC([NH3+])CC1 ZINC000843353818 1321504965 /nfs/dbraw/zinc/50/49/65/1321504965.db2.gz LOJMZOPWDORGSZ-UHFFFAOYSA-N 2 1 337.467 3.494 20 0 EGADMP C[NH+]1CCC2(CCC[N@H+](CC(=O)c3c[nH]c4ccc(F)cc34)C2)CC1 ZINC000859291406 1328962026 /nfs/dbraw/zinc/96/20/26/1328962026.db2.gz HWXOYISEVWDLSI-UHFFFAOYSA-N 2 1 343.446 3.298 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)c3c[nH]c4ccc(F)cc34)C2)CC1 ZINC000859291406 1328962034 /nfs/dbraw/zinc/96/20/34/1328962034.db2.gz HWXOYISEVWDLSI-UHFFFAOYSA-N 2 1 343.446 3.298 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cn1 ZINC000844169950 1321575320 /nfs/dbraw/zinc/57/53/20/1321575320.db2.gz WJBGDSDJPNBREP-GOSISDBHSA-N 2 1 349.438 3.240 20 0 EGADMP C[N@@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)C1CCC([NH3+])CC1 ZINC000844220882 1321580208 /nfs/dbraw/zinc/58/02/08/1321580208.db2.gz NVNJISOYDIVPHP-UHFFFAOYSA-N 2 1 327.259 3.343 20 0 EGADMP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3ccccc3c2)[C@H]1CC[NH3+] ZINC000846226359 1321778538 /nfs/dbraw/zinc/77/85/38/1321778538.db2.gz KVTVIUYQVLZKKV-BEFAXECRSA-N 2 1 325.456 3.228 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3ccccc3c2)[C@H]1CC[NH3+] ZINC000846226359 1321778540 /nfs/dbraw/zinc/77/85/40/1321778540.db2.gz KVTVIUYQVLZKKV-BEFAXECRSA-N 2 1 325.456 3.228 20 0 EGADMP Clc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000848549600 1321974785 /nfs/dbraw/zinc/97/47/85/1321974785.db2.gz XJRQWMJNMNYCQY-RBUKOAKNSA-N 2 1 334.891 3.040 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(F)(F)c1ccc(Cl)cc1 ZINC000849051055 1322058621 /nfs/dbraw/zinc/05/86/21/1322058621.db2.gz UKUYKLPQKPYTHR-AWEZNQCLSA-N 2 1 344.837 3.030 20 0 EGADMP C[C@@H](NC(=[NH2+])NCC[N@H+](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000849066892 1322065414 /nfs/dbraw/zinc/06/54/14/1322065414.db2.gz GGRKHRUNOUQHIS-SNVBAGLBSA-N 2 1 329.275 3.263 20 0 EGADMP C[C@@H](NC(=[NH2+])NCC[N@@H+](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000849066892 1322065422 /nfs/dbraw/zinc/06/54/22/1322065422.db2.gz GGRKHRUNOUQHIS-SNVBAGLBSA-N 2 1 329.275 3.263 20 0 EGADMP [NH2+]=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000849085538 1322073375 /nfs/dbraw/zinc/07/33/75/1322073375.db2.gz RUBAGKFXEJOTHV-LJQANCHMSA-N 2 1 328.504 3.299 20 0 EGADMP CCc1cccc(CC)c1NC(=[NH2+])NC[C@]1([NH+](C)C)CCSC1 ZINC000849096571 1322076032 /nfs/dbraw/zinc/07/60/32/1322076032.db2.gz WDEUHFZKAPRERY-GOSISDBHSA-N 2 1 334.533 3.185 20 0 EGADMP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@]1([NH+](C)C)CCSC1 ZINC000849096572 1322076568 /nfs/dbraw/zinc/07/65/68/1322076568.db2.gz WDEUHFZKAPRERY-SFHVURJKSA-N 2 1 334.533 3.185 20 0 EGADMP CCOC(=O)NC1CCC([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000850423560 1322245617 /nfs/dbraw/zinc/24/56/17/1322245617.db2.gz BTNZEUIAWWUGSK-AOCRQIFASA-N 2 1 339.524 3.288 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C(=O)OC)cc2F)c1 ZINC000921687219 1322378693 /nfs/dbraw/zinc/37/86/93/1322378693.db2.gz ZKEXKDYIPTZERY-UHFFFAOYSA-N 2 1 344.430 3.354 20 0 EGADMP FC(F)(F)c1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923312755 1322731168 /nfs/dbraw/zinc/73/11/68/1322731168.db2.gz PWTGOKKIFUBLMM-BBRMVZONSA-N 2 1 340.389 3.221 20 0 EGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000923368108 1322741287 /nfs/dbraw/zinc/74/12/87/1322741287.db2.gz LGVCBWCCXCZQSI-ICSRJNTNSA-N 2 1 342.483 3.056 20 0 EGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923490008 1322760738 /nfs/dbraw/zinc/76/07/38/1322760738.db2.gz GTMNHEFITOWQHO-INIZCTEOSA-N 2 1 332.879 3.064 20 0 EGADMP CC(C)(C)C[C@H](NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923493035 1322761959 /nfs/dbraw/zinc/76/19/59/1322761959.db2.gz QERJFKCYSJOMGW-QAPCUYQASA-N 2 1 349.494 3.090 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001023985485 1323064855 /nfs/dbraw/zinc/06/48/55/1323064855.db2.gz XALXEPATSOWFQC-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001023984728 1323065470 /nfs/dbraw/zinc/06/54/70/1323065470.db2.gz JKBNEPSMAWYFMQ-IEBWSBKVSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccccc1OC ZINC000924642607 1323089028 /nfs/dbraw/zinc/08/90/28/1323089028.db2.gz AUTZWTGOXOLMKY-RGPMPMONSA-N 2 1 332.488 3.378 20 0 EGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccccc1OC ZINC000924642607 1323089033 /nfs/dbraw/zinc/08/90/33/1323089033.db2.gz AUTZWTGOXOLMKY-RGPMPMONSA-N 2 1 332.488 3.378 20 0 EGADMP CCOc1cccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)c1 ZINC000924858047 1323189704 /nfs/dbraw/zinc/18/97/04/1323189704.db2.gz XTQCGZRFFVRUAD-BPIHKTFHSA-N 2 1 332.488 3.378 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925056869 1323259182 /nfs/dbraw/zinc/25/91/82/1323259182.db2.gz JRVJYTOBYDGTSA-OXQOHEQNSA-N 2 1 346.515 3.208 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3ccccn3)cc2)C1 ZINC000853061737 1323271739 /nfs/dbraw/zinc/27/17/39/1323271739.db2.gz FTMJSZVNJLIQOQ-DYESRHJHSA-N 2 1 339.483 3.137 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1CC1CCCC1)c1ccc2c[nH+]cn2c1 ZINC001024557566 1323496705 /nfs/dbraw/zinc/49/67/05/1323496705.db2.gz YIDAETUQINXCHB-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP O=C(NC[C@@H]1CCCC[N@H+]1CC1CCCCCC1)C12CC[NH+](CC1)C2 ZINC001024759520 1323660212 /nfs/dbraw/zinc/66/02/12/1323660212.db2.gz JJWMADJGRWZTKA-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP C[C@H](F)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811557 1323714530 /nfs/dbraw/zinc/71/45/30/1323714530.db2.gz UWSAADVITNDOAM-QFBILLFUSA-N 2 1 349.494 3.081 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001024984890 1323813605 /nfs/dbraw/zinc/81/36/05/1323813605.db2.gz JRWBFTLPEOWECB-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1cc(-c2noc([C@H](C)N3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)n2)ccc1F ZINC000931432723 1329115903 /nfs/dbraw/zinc/11/59/03/1329115903.db2.gz BLPIHTLUIGZXQS-CWRNSKLLSA-N 2 1 344.434 3.129 20 0 EGADMP Cc1cc(-c2noc([C@H](C)[N@@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)n2)ccc1F ZINC000931432723 1329115904 /nfs/dbraw/zinc/11/59/04/1329115904.db2.gz BLPIHTLUIGZXQS-CWRNSKLLSA-N 2 1 344.434 3.129 20 0 EGADMP Cc1cc(-c2noc([C@H](C)[N@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)n2)ccc1F ZINC000931432723 1329115906 /nfs/dbraw/zinc/11/59/06/1329115906.db2.gz BLPIHTLUIGZXQS-CWRNSKLLSA-N 2 1 344.434 3.129 20 0 EGADMP Cc1cc(-c2noc([C@H](C)[NH+]3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)n2)ccc1F ZINC000931432723 1329115910 /nfs/dbraw/zinc/11/59/10/1329115910.db2.gz BLPIHTLUIGZXQS-CWRNSKLLSA-N 2 1 344.434 3.129 20 0 EGADMP Cc1cc(-c2noc([C@H](C)[NH+]3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)n2)ccc1F ZINC000931432723 1329115913 /nfs/dbraw/zinc/11/59/13/1329115913.db2.gz BLPIHTLUIGZXQS-CWRNSKLLSA-N 2 1 344.434 3.129 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025265011 1324077760 /nfs/dbraw/zinc/07/77/60/1324077760.db2.gz CUBYWVNLVMXXQE-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025265011 1324077764 /nfs/dbraw/zinc/07/77/64/1324077764.db2.gz CUBYWVNLVMXXQE-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001025265011 1324077767 /nfs/dbraw/zinc/07/77/67/1324077767.db2.gz CUBYWVNLVMXXQE-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N1CCCC[C@H]1[C@H]1CCC[N@H+]1CC1CC1 ZINC001025301717 1324135132 /nfs/dbraw/zinc/13/51/32/1324135132.db2.gz OOCRCHVHGNQCCZ-UXHICEINSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450895 1324293324 /nfs/dbraw/zinc/29/33/24/1324293324.db2.gz CDYDTBQFXJKRTF-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025474027 1324319402 /nfs/dbraw/zinc/31/94/02/1324319402.db2.gz IHWKIUUAEWXNPU-SJLPKXTDSA-N 2 1 340.471 3.131 20 0 EGADMP CCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001026548040 1324885301 /nfs/dbraw/zinc/88/53/01/1324885301.db2.gz MMBABIPWICXBTH-FAFZWHIHSA-N 2 1 335.536 3.211 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NC2CCC([NH2+]CC3CCCCCC3)CC2)C1 ZINC001026560819 1324896206 /nfs/dbraw/zinc/89/62/06/1324896206.db2.gz FZGIXSPLQXVLKF-KKXNLOMOSA-N 2 1 349.563 3.316 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCC2)CC1 ZINC001026591274 1324917591 /nfs/dbraw/zinc/91/75/91/1324917591.db2.gz YFBSPZJVTJNDCI-SOAGJPPSSA-N 2 1 349.563 3.458 20 0 EGADMP CC[C@H]1COC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000925131840 1325057848 /nfs/dbraw/zinc/05/78/48/1325057848.db2.gz DPXPBNZJANVNCS-OXJNMPFZSA-N 2 1 328.456 3.426 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360727 1325157612 /nfs/dbraw/zinc/15/76/12/1325157612.db2.gz OJELIGNURYNHKK-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963360727 1325157617 /nfs/dbraw/zinc/15/76/17/1325157617.db2.gz OJELIGNURYNHKK-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963360727 1325157622 /nfs/dbraw/zinc/15/76/22/1325157622.db2.gz OJELIGNURYNHKK-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383129 1325183720 /nfs/dbraw/zinc/18/37/20/1325183720.db2.gz MFEUQXLFLAAMLO-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925554898 1325205953 /nfs/dbraw/zinc/20/59/53/1325205953.db2.gz FALHSQITPDCHOX-BWPNAZKDSA-N 2 1 327.516 3.017 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001027102777 1325227397 /nfs/dbraw/zinc/22/73/97/1325227397.db2.gz MIQKLQZFVQGHSO-SFHVURJKSA-N 2 1 346.519 3.025 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001027103901 1325228372 /nfs/dbraw/zinc/22/83/72/1325228372.db2.gz IFPYNWYWXLPGSO-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963426457 1325234043 /nfs/dbraw/zinc/23/40/43/1325234043.db2.gz AXDHYZPRSBZACP-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925711858 1325267010 /nfs/dbraw/zinc/26/70/10/1325267010.db2.gz DYHPFPHHAYJJGK-BZSNNMDCSA-N 2 1 330.472 3.277 20 0 EGADMP [NH3+]Cc1nc2c(s1)CC[N@@H+]([C@@H]1CCC[C@H](c3cccnc3)C1)C2 ZINC000925752046 1325284477 /nfs/dbraw/zinc/28/44/77/1325284477.db2.gz RVHUVBZUEMHQGX-DZGCQCFKSA-N 2 1 328.485 3.081 20 0 EGADMP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@@H]1CCC[C@H](c3cccnc3)C1)C2 ZINC000925752046 1325284484 /nfs/dbraw/zinc/28/44/84/1325284484.db2.gz RVHUVBZUEMHQGX-DZGCQCFKSA-N 2 1 328.485 3.081 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1[C@@H]3[NH2+]C[C@@H]4C[C@H]1C[C@@H]43)CCCC2 ZINC000925770257 1325292461 /nfs/dbraw/zinc/29/24/61/1325292461.db2.gz UNXVMIXVZZCCOZ-QIFXZVNDSA-N 2 1 342.483 3.057 20 0 EGADMP FC(F)(F)[C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)O1 ZINC000925805248 1325309154 /nfs/dbraw/zinc/30/91/54/1325309154.db2.gz HKDBYGPMOOMLHX-FZKCQIBNSA-N 2 1 328.378 3.179 20 0 EGADMP FC(F)(F)CN1CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925835466 1325322521 /nfs/dbraw/zinc/32/25/21/1325322521.db2.gz PXOITVATYRDEPB-ZACQAIPSSA-N 2 1 341.421 3.096 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC000963907723 1325430793 /nfs/dbraw/zinc/43/07/93/1325430793.db2.gz JVBYTFJKYVEKJM-QHGAOEGBSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000926128195 1325440190 /nfs/dbraw/zinc/44/01/90/1325440190.db2.gz ZLMISPHAIOGSLX-AUUYWEPGSA-N 2 1 343.471 3.099 20 0 EGADMP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000926128195 1325440199 /nfs/dbraw/zinc/44/01/99/1325440199.db2.gz ZLMISPHAIOGSLX-AUUYWEPGSA-N 2 1 343.471 3.099 20 0 EGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857120952 1325576071 /nfs/dbraw/zinc/57/60/71/1325576071.db2.gz QIIRYTAIXWTQLZ-PMACEKPBSA-N 2 1 343.515 3.100 20 0 EGADMP CC[NH+]1CCCC[C@H]1CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857120952 1325576080 /nfs/dbraw/zinc/57/60/80/1325576080.db2.gz QIIRYTAIXWTQLZ-PMACEKPBSA-N 2 1 343.515 3.100 20 0 EGADMP CC[NH+]1CCCC[C@H]1CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857120952 1325576089 /nfs/dbraw/zinc/57/60/89/1325576089.db2.gz QIIRYTAIXWTQLZ-PMACEKPBSA-N 2 1 343.515 3.100 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1 ZINC001027416160 1327642740 /nfs/dbraw/zinc/64/27/40/1327642740.db2.gz AAZQYTVQXTVCMI-WMZOPIPTSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC001027416160 1327642756 /nfs/dbraw/zinc/64/27/56/1327642756.db2.gz AAZQYTVQXTVCMI-WMZOPIPTSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCCC2)C1 ZINC001027432682 1327671902 /nfs/dbraw/zinc/67/19/02/1327671902.db2.gz HZTBIDYLPMRWNM-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027432682 1327671909 /nfs/dbraw/zinc/67/19/09/1327671909.db2.gz HZTBIDYLPMRWNM-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027432682 1327671915 /nfs/dbraw/zinc/67/19/15/1327671915.db2.gz HZTBIDYLPMRWNM-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000926708100 1327676984 /nfs/dbraw/zinc/67/69/84/1327676984.db2.gz ZRXHRLYPABUEJL-BJLQDIEVSA-N 2 1 330.520 3.128 20 0 EGADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)cn1 ZINC000926708100 1327676996 /nfs/dbraw/zinc/67/69/96/1327676996.db2.gz ZRXHRLYPABUEJL-BJLQDIEVSA-N 2 1 330.520 3.128 20 0 EGADMP C[N@@H+](CCC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027442673 1327682837 /nfs/dbraw/zinc/68/28/37/1327682837.db2.gz DUAUUSPBKRHOTL-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001027442673 1327682848 /nfs/dbraw/zinc/68/28/48/1327682848.db2.gz DUAUUSPBKRHOTL-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001027442673 1327682860 /nfs/dbraw/zinc/68/28/60/1327682860.db2.gz DUAUUSPBKRHOTL-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC001027444542 1327684349 /nfs/dbraw/zinc/68/43/49/1327684349.db2.gz SSUYJRGDZGOENP-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027521034 1327792339 /nfs/dbraw/zinc/79/23/39/1327792339.db2.gz VWLVRFDYCBEVNY-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCc1ccccc1C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001027581923 1327915664 /nfs/dbraw/zinc/91/56/64/1327915664.db2.gz IHCQWIVMVUIKAR-PMACEKPBSA-N 2 1 345.531 3.012 20 0 EGADMP C[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001027602195 1327954370 /nfs/dbraw/zinc/95/43/70/1327954370.db2.gz NFPMAEHSZJJBMT-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681939 1328080111 /nfs/dbraw/zinc/08/01/11/1328080111.db2.gz GBDMQIREXGCRMI-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC001027687019 1328088733 /nfs/dbraw/zinc/08/87/33/1328088733.db2.gz ZSFLFBSBPKXWGN-IBGZPJMESA-N 2 1 344.503 3.005 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC001027687019 1328088740 /nfs/dbraw/zinc/08/87/40/1328088740.db2.gz ZSFLFBSBPKXWGN-IBGZPJMESA-N 2 1 344.503 3.005 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966489371 1328320015 /nfs/dbraw/zinc/32/00/15/1328320015.db2.gz JSVCNDDBRQPOKM-RDJZCZTQSA-N 2 1 349.544 3.216 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966489371 1328320020 /nfs/dbraw/zinc/32/00/20/1328320020.db2.gz JSVCNDDBRQPOKM-RDJZCZTQSA-N 2 1 349.544 3.216 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001027919218 1328396362 /nfs/dbraw/zinc/39/63/62/1328396362.db2.gz UKMFKXYLYJXTQG-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC001027919218 1328396368 /nfs/dbraw/zinc/39/63/68/1328396368.db2.gz UKMFKXYLYJXTQG-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1=CCCCC1 ZINC001027919218 1328396377 /nfs/dbraw/zinc/39/63/77/1328396377.db2.gz UKMFKXYLYJXTQG-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001027927781 1328405588 /nfs/dbraw/zinc/40/55/88/1328405588.db2.gz CVCJDRNFRCKDID-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC2=CCCCC2)C1 ZINC001027927781 1328405593 /nfs/dbraw/zinc/40/55/93/1328405593.db2.gz CVCJDRNFRCKDID-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC2=CCCCC2)C1 ZINC001027927781 1328405596 /nfs/dbraw/zinc/40/55/96/1328405596.db2.gz CVCJDRNFRCKDID-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027929875 1328408793 /nfs/dbraw/zinc/40/87/93/1328408793.db2.gz KNQMZQHEVMVOKS-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CC1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929875 1328408796 /nfs/dbraw/zinc/40/87/96/1328408796.db2.gz KNQMZQHEVMVOKS-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CC1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001027929875 1328408801 /nfs/dbraw/zinc/40/88/01/1328408801.db2.gz KNQMZQHEVMVOKS-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP Cc1nc([C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)no1 ZINC000931934474 1329772417 /nfs/dbraw/zinc/77/24/17/1329772417.db2.gz DQANAXQUUPAYOY-IBGZPJMESA-N 2 1 340.471 3.353 20 0 EGADMP c1cc2n(c1)CC[NH+](CCCCCC[N@H+]1CCn3cccc3C1)C2 ZINC000932529023 1329820367 /nfs/dbraw/zinc/82/03/67/1329820367.db2.gz VVLOZPRIIQHLDL-UHFFFAOYSA-N 2 1 326.488 3.181 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)o2)C[C@H]1C ZINC000933368100 1329883485 /nfs/dbraw/zinc/88/34/85/1329883485.db2.gz IPRPOENIYVGNKF-SJORKVTESA-N 2 1 347.503 3.210 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000933455189 1329890718 /nfs/dbraw/zinc/89/07/18/1329890718.db2.gz DCAMTCZURZERPB-JZXOWHBKSA-N 2 1 349.544 3.120 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000933455189 1329890720 /nfs/dbraw/zinc/89/07/20/1329890720.db2.gz DCAMTCZURZERPB-JZXOWHBKSA-N 2 1 349.544 3.120 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000933455189 1329890722 /nfs/dbraw/zinc/89/07/22/1329890722.db2.gz DCAMTCZURZERPB-JZXOWHBKSA-N 2 1 349.544 3.120 20 0 EGADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000935662550 1330069179 /nfs/dbraw/zinc/06/91/79/1330069179.db2.gz HBABGZRFJFJUBN-KRWDZBQOSA-N 2 1 345.487 3.012 20 0 EGADMP CC(C)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccccn1 ZINC000866217777 1330079647 /nfs/dbraw/zinc/07/96/47/1330079647.db2.gz HECJWDKKKQVGQE-OAQYLSRUSA-N 2 1 339.483 3.401 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000866466977 1330116042 /nfs/dbraw/zinc/11/60/42/1330116042.db2.gz QGYFMUKGXBLUBK-QAETUUGQSA-N 2 1 339.524 3.142 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)CC1(C)C ZINC000940625179 1331131068 /nfs/dbraw/zinc/13/10/68/1331131068.db2.gz PJXUXMYJIPICEH-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)CC1(C)C ZINC000940625179 1331131072 /nfs/dbraw/zinc/13/10/72/1331131072.db2.gz PJXUXMYJIPICEH-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)CC1(C)C ZINC000940625179 1331131076 /nfs/dbraw/zinc/13/10/76/1331131076.db2.gz PJXUXMYJIPICEH-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940780189 1331191228 /nfs/dbraw/zinc/19/12/28/1331191228.db2.gz LEYSEDFFABTVKJ-HNNXBMFYSA-N 2 1 337.533 3.050 20 0 EGADMP C[C@H]1C[N@@H+](CCC2CC2)CC[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942101717 1331830303 /nfs/dbraw/zinc/83/03/03/1331830303.db2.gz SPVSKFBGGWRSFQ-YOEHRIQHSA-N 2 1 349.544 3.050 20 0 EGADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821367 1332042309 /nfs/dbraw/zinc/04/23/09/1332042309.db2.gz DVKHPHGVARVRCN-MJGOQNOKSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CC2=CCCCC2)CC[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821367 1332042310 /nfs/dbraw/zinc/04/23/10/1332042310.db2.gz DVKHPHGVARVRCN-MJGOQNOKSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CC2=CCCCC2)CC[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821367 1332042311 /nfs/dbraw/zinc/04/23/11/1332042311.db2.gz DVKHPHGVARVRCN-MJGOQNOKSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1C[N@H+](CCC(C)(C)C)CC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000944168503 1332338675 /nfs/dbraw/zinc/33/86/75/1332338675.db2.gz IXYBWNOWALYSPU-DOTOQJQBSA-N 2 1 346.519 3.024 20 0 EGADMP C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000944168503 1332338678 /nfs/dbraw/zinc/33/86/78/1332338678.db2.gz IXYBWNOWALYSPU-DOTOQJQBSA-N 2 1 346.519 3.024 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945089054 1332496771 /nfs/dbraw/zinc/49/67/71/1332496771.db2.gz DSXBNMBUUIJQRJ-YLJYHZDGSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H](C)CC)C[C@H]2CC1 ZINC000946615559 1332863186 /nfs/dbraw/zinc/86/31/86/1332863186.db2.gz NYEIHQUCBIVDCN-ZRNYENFQSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)CC)C[C@H]2CC1 ZINC000946615559 1332863189 /nfs/dbraw/zinc/86/31/89/1332863189.db2.gz NYEIHQUCBIVDCN-ZRNYENFQSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)CC)C[C@H]2CC1 ZINC000946615559 1332863192 /nfs/dbraw/zinc/86/31/92/1332863192.db2.gz NYEIHQUCBIVDCN-ZRNYENFQSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946904571 1332929129 /nfs/dbraw/zinc/92/91/29/1332929129.db2.gz JZKRCOKOJIKFFY-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C(C)C)C[C@H]2CC1)[NH+]1CCCCC1 ZINC000946904463 1332929331 /nfs/dbraw/zinc/92/93/31/1332929331.db2.gz HGAGNRMTTYRLOJ-ZCNNSNEGSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@H+]1CC1CCC1 ZINC000947361602 1333103433 /nfs/dbraw/zinc/10/34/33/1333103433.db2.gz PXCCMBOQOUKMNB-WMLDXEAASA-N 2 1 349.544 3.193 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1=CCCCC1 ZINC000947615265 1333193397 /nfs/dbraw/zinc/19/33/97/1333193397.db2.gz GZNZSMDEYIUHKO-MJGOQNOKSA-N 2 1 347.547 3.330 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947722003 1333240572 /nfs/dbraw/zinc/24/05/72/1333240572.db2.gz CRBSAJZATDGOAS-XLIONFOSSA-N 2 1 345.531 3.174 20 0 EGADMP C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCC(C)(C)C ZINC000947776062 1333258260 /nfs/dbraw/zinc/25/82/60/1333258260.db2.gz TVMSRKKGZGOULU-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC1CCCCCC1 ZINC000948040830 1333350184 /nfs/dbraw/zinc/35/01/84/1333350184.db2.gz UKLGVSCYBMQLTG-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC000948245213 1333439661 /nfs/dbraw/zinc/43/96/61/1333439661.db2.gz NFEPGKHGFKWMMF-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC000948245213 1333439663 /nfs/dbraw/zinc/43/96/63/1333439663.db2.gz NFEPGKHGFKWMMF-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC000948245213 1333439665 /nfs/dbraw/zinc/43/96/65/1333439665.db2.gz NFEPGKHGFKWMMF-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](CCC3CC3)CC2)C1 ZINC000948436011 1333523522 /nfs/dbraw/zinc/52/35/22/1333523522.db2.gz RSQKNKHKFNFEBL-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](CCC3CC3)CC2)C1 ZINC000948436011 1333523524 /nfs/dbraw/zinc/52/35/24/1333523524.db2.gz RSQKNKHKFNFEBL-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CCC3CC3)CC2)C1 ZINC000948436011 1333523525 /nfs/dbraw/zinc/52/35/25/1333523525.db2.gz RSQKNKHKFNFEBL-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)[C@@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000948439305 1333525375 /nfs/dbraw/zinc/52/53/75/1333525375.db2.gz MHHXEWPYIFIVAI-QUCCMNQESA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[C@@H]1CCC[NH+](CC2CC2)CC1 ZINC000948439305 1333525377 /nfs/dbraw/zinc/52/53/77/1333525377.db2.gz MHHXEWPYIFIVAI-QUCCMNQESA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[C@@H]1CCC[NH+](CC2CC2)CC1 ZINC000948439305 1333525381 /nfs/dbraw/zinc/52/53/81/1333525381.db2.gz MHHXEWPYIFIVAI-QUCCMNQESA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948553574 1333572299 /nfs/dbraw/zinc/57/22/99/1333572299.db2.gz ITXNIVRWGGBUEH-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000948553574 1333572303 /nfs/dbraw/zinc/57/23/03/1333572303.db2.gz ITXNIVRWGGBUEH-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000948553574 1333572306 /nfs/dbraw/zinc/57/23/06/1333572306.db2.gz ITXNIVRWGGBUEH-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948575138 1333583404 /nfs/dbraw/zinc/58/34/04/1333583404.db2.gz QIPVAODZYGTEOY-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948575138 1333583407 /nfs/dbraw/zinc/58/34/07/1333583407.db2.gz QIPVAODZYGTEOY-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948575138 1333583410 /nfs/dbraw/zinc/58/34/10/1333583410.db2.gz QIPVAODZYGTEOY-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948591484 1333588095 /nfs/dbraw/zinc/58/80/95/1333588095.db2.gz YFITXYRSKYFGCD-WMZOPIPTSA-N 2 1 342.487 3.307 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948621471 1333600494 /nfs/dbraw/zinc/60/04/94/1333600494.db2.gz QOLXMJMISZRTFN-IAGOWNOFSA-N 2 1 346.450 3.009 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948673564 1333623143 /nfs/dbraw/zinc/62/31/43/1333623143.db2.gz BXSAESFJYLGYNU-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CC1CC(C[N@H+]2CCC[C@H](N(C)C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000948674242 1333623919 /nfs/dbraw/zinc/62/39/19/1333623919.db2.gz SFTZHMMQFDHVBG-ACBHZAAOSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726483 1333649005 /nfs/dbraw/zinc/64/90/05/1333649005.db2.gz SCNBJWDIZYLXGP-GOSISDBHSA-N 2 1 347.503 3.234 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000948755599 1333663432 /nfs/dbraw/zinc/66/34/32/1333663432.db2.gz FGUMUUDIPXIAGA-ICSRJNTNSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000948755599 1333663436 /nfs/dbraw/zinc/66/34/36/1333663436.db2.gz FGUMUUDIPXIAGA-ICSRJNTNSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000948755686 1333663611 /nfs/dbraw/zinc/66/36/11/1333663611.db2.gz ILZGNEOAVKKVOW-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[NH+](CCC2CCCC2)CC1 ZINC000948760107 1333665327 /nfs/dbraw/zinc/66/53/27/1333665327.db2.gz SUMGWURNYYIHLI-FQEVSTJZSA-N 2 1 347.547 3.118 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CCC[NH+](CC3CC(C)(C)C3)CC2)C1 ZINC000948767560 1333670593 /nfs/dbraw/zinc/67/05/93/1333670593.db2.gz YGBABVMJAKFWKS-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@H+](CC3CC(C)(C)C3)CC2)C1 ZINC000948767560 1333670598 /nfs/dbraw/zinc/67/05/98/1333670598.db2.gz YGBABVMJAKFWKS-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@@H+](CC3CC(C)(C)C3)CC2)C1 ZINC000948767560 1333670599 /nfs/dbraw/zinc/67/05/99/1333670599.db2.gz YGBABVMJAKFWKS-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1C[NH+](CCC2CCCCC2)C1 ZINC000950063080 1334006000 /nfs/dbraw/zinc/00/60/00/1334006000.db2.gz DBPAONPEPDGUPW-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)C1C[NH+](CC2CCCCCC2)C1 ZINC000950469734 1334076688 /nfs/dbraw/zinc/07/66/88/1334076688.db2.gz PYFUDEZKHFUZIC-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC)C2C[NH+](CC3CC(C)(C)C3)C2)C1 ZINC000951212197 1334209373 /nfs/dbraw/zinc/20/93/73/1334209373.db2.gz HVOCPULECCCLSF-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CC[N@@H+](CCC(C)(C)C)C[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000967398729 1335726172 /nfs/dbraw/zinc/72/61/72/1335726172.db2.gz ZYJRZWQFDZIFOG-YJBOKZPZSA-N 2 1 342.487 3.211 20 0 EGADMP C[C@H]1CC[N@@H+](CC2CCCCCC2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968192268 1335868461 /nfs/dbraw/zinc/86/84/61/1335868461.db2.gz PXIDITZLDPEBRY-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CC2(CCC2)C1 ZINC000968782735 1336048704 /nfs/dbraw/zinc/04/87/04/1336048704.db2.gz ZBWTVURKQKKCQO-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CC2(CCC2)C1 ZINC000968782735 1336048707 /nfs/dbraw/zinc/04/87/07/1336048707.db2.gz ZBWTVURKQKKCQO-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CC2(CCC2)C1 ZINC000968782735 1336048709 /nfs/dbraw/zinc/04/87/09/1336048709.db2.gz ZBWTVURKQKKCQO-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000968915951 1336087527 /nfs/dbraw/zinc/08/75/27/1336087527.db2.gz UFBHPSRCRCJFHX-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968936669 1336096693 /nfs/dbraw/zinc/09/66/93/1336096693.db2.gz NJPHBCKYJIJGEJ-GOSISDBHSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969100782 1336142762 /nfs/dbraw/zinc/14/27/62/1336142762.db2.gz HXNMEAXQUUMHLV-IBGZPJMESA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000969170711 1336170523 /nfs/dbraw/zinc/17/05/23/1336170523.db2.gz UVXPDDTVLBFNPS-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2=CCCCC2)C1 ZINC000969794521 1336247964 /nfs/dbraw/zinc/24/79/64/1336247964.db2.gz WPDRRCHLIRKZBE-PXNSSMCTSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000969969660 1336267844 /nfs/dbraw/zinc/26/78/44/1336267844.db2.gz PDQLICWRNLDSET-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC000970029163 1336273034 /nfs/dbraw/zinc/27/30/34/1336273034.db2.gz XUNILWIIEYUSNC-YLJYHZDGSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000970028643 1336273052 /nfs/dbraw/zinc/27/30/52/1336273052.db2.gz WGNUDGKCZHKTJO-XLIONFOSSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005503134 1336363319 /nfs/dbraw/zinc/36/33/19/1336363319.db2.gz IFABQWFXJMHQJE-IEBWSBKVSA-N 2 1 337.552 3.218 20 0 EGADMP CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001005533840 1336369067 /nfs/dbraw/zinc/36/90/67/1336369067.db2.gz RLMYYSDNVCMNJU-QZTJIDSGSA-N 2 1 344.503 3.016 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001006071889 1336446887 /nfs/dbraw/zinc/44/68/87/1336446887.db2.gz FZGCBCGXLBHOOT-UHFFFAOYSA-N 2 1 348.535 3.366 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001006398817 1336499473 /nfs/dbraw/zinc/49/94/73/1336499473.db2.gz GBLPBOZIVVHAGV-ICSRJNTNSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2csc(C)c2)C1 ZINC001007456933 1336650697 /nfs/dbraw/zinc/65/06/97/1336650697.db2.gz IADJFOPSCVOPHW-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2csc(C)c2)C1 ZINC001007456933 1336650701 /nfs/dbraw/zinc/65/07/01/1336650701.db2.gz IADJFOPSCVOPHW-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2csc(C)c2)C1 ZINC001007456933 1336650704 /nfs/dbraw/zinc/65/07/04/1336650704.db2.gz IADJFOPSCVOPHW-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2csc(C)c2)C1 ZINC001007456933 1336650706 /nfs/dbraw/zinc/65/07/06/1336650706.db2.gz IADJFOPSCVOPHW-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCc1cccc(Br)c1 ZINC001205903000 1370905832 /nfs/dbraw/zinc/90/58/32/1370905832.db2.gz MKJLTUQBOHNVDF-DZGCQCFKSA-N 2 1 325.294 3.441 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001007649652 1336684255 /nfs/dbraw/zinc/68/42/55/1336684255.db2.gz WMPMHPFBKBRVEY-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001007649652 1336684257 /nfs/dbraw/zinc/68/42/57/1336684257.db2.gz WMPMHPFBKBRVEY-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001007649652 1336684259 /nfs/dbraw/zinc/68/42/59/1336684259.db2.gz WMPMHPFBKBRVEY-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001007751453 1336694773 /nfs/dbraw/zinc/69/47/73/1336694773.db2.gz ZMPCUMUFVWAHLZ-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007751453 1336694776 /nfs/dbraw/zinc/69/47/76/1336694776.db2.gz ZMPCUMUFVWAHLZ-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007751453 1336694777 /nfs/dbraw/zinc/69/47/77/1336694777.db2.gz ZMPCUMUFVWAHLZ-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001007751448 1336694815 /nfs/dbraw/zinc/69/48/15/1336694815.db2.gz ZMPCUMUFVWAHLZ-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007751448 1336694816 /nfs/dbraw/zinc/69/48/16/1336694816.db2.gz ZMPCUMUFVWAHLZ-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007751448 1336694817 /nfs/dbraw/zinc/69/48/17/1336694817.db2.gz ZMPCUMUFVWAHLZ-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP COc1c(Br)cccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206005228 1370935672 /nfs/dbraw/zinc/93/56/72/1370935672.db2.gz XDPOBRAQYMITPB-QWHCGFSZSA-N 2 1 341.293 3.265 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001008277211 1336812711 /nfs/dbraw/zinc/81/27/11/1336812711.db2.gz MWTHRVZBORRCBA-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001008277211 1336812714 /nfs/dbraw/zinc/81/27/14/1336812714.db2.gz MWTHRVZBORRCBA-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001008277211 1336812717 /nfs/dbraw/zinc/81/27/17/1336812717.db2.gz MWTHRVZBORRCBA-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](CC3=CCCCC3)C2)C1 ZINC001008278749 1336813160 /nfs/dbraw/zinc/81/31/60/1336813160.db2.gz PXTFUINQEAVADT-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@H+](CC3=CCCCC3)C2)C1 ZINC001008278749 1336813161 /nfs/dbraw/zinc/81/31/61/1336813161.db2.gz PXTFUINQEAVADT-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001008278749 1336813165 /nfs/dbraw/zinc/81/31/65/1336813165.db2.gz PXTFUINQEAVADT-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCC3CCCC3)C2)CC[N@H+]1C ZINC001008297760 1336817977 /nfs/dbraw/zinc/81/79/77/1336817977.db2.gz FUTBWZUSNVLWDG-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001008297760 1336817979 /nfs/dbraw/zinc/81/79/79/1336817979.db2.gz FUTBWZUSNVLWDG-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001008297760 1336817981 /nfs/dbraw/zinc/81/79/81/1336817981.db2.gz FUTBWZUSNVLWDG-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001008763773 1336922547 /nfs/dbraw/zinc/92/25/47/1336922547.db2.gz ANXRLFKQTCSWSN-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001008763773 1336922550 /nfs/dbraw/zinc/92/25/50/1336922550.db2.gz ANXRLFKQTCSWSN-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001008763773 1336922554 /nfs/dbraw/zinc/92/25/54/1336922554.db2.gz ANXRLFKQTCSWSN-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCC2)C1 ZINC001009170208 1336980805 /nfs/dbraw/zinc/98/08/05/1336980805.db2.gz RCKWBUMIFSBDMD-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001009170208 1336980806 /nfs/dbraw/zinc/98/08/06/1336980806.db2.gz RCKWBUMIFSBDMD-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001009170208 1336980808 /nfs/dbraw/zinc/98/08/08/1336980808.db2.gz RCKWBUMIFSBDMD-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014415568 1337771675 /nfs/dbraw/zinc/77/16/75/1337771675.db2.gz VMLOZZKVMFBHNC-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001014415568 1337771678 /nfs/dbraw/zinc/77/16/78/1337771678.db2.gz VMLOZZKVMFBHNC-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001014415568 1337771681 /nfs/dbraw/zinc/77/16/81/1337771681.db2.gz VMLOZZKVMFBHNC-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001014633881 1337854247 /nfs/dbraw/zinc/85/42/47/1337854247.db2.gz UMEIGDSLTYZTOJ-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001014633881 1337854253 /nfs/dbraw/zinc/85/42/53/1337854253.db2.gz UMEIGDSLTYZTOJ-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001014633881 1337854254 /nfs/dbraw/zinc/85/42/54/1337854254.db2.gz UMEIGDSLTYZTOJ-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001014705364 1337876127 /nfs/dbraw/zinc/87/61/27/1337876127.db2.gz OWAOVDFHYCOCAA-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CCCC3CCCC3)C2)C1 ZINC001014705364 1337876131 /nfs/dbraw/zinc/87/61/31/1337876131.db2.gz OWAOVDFHYCOCAA-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001014705364 1337876133 /nfs/dbraw/zinc/87/61/33/1337876133.db2.gz OWAOVDFHYCOCAA-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014721159 1337883106 /nfs/dbraw/zinc/88/31/06/1337883106.db2.gz IJGAYPFXEMNSSC-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001014721159 1337883110 /nfs/dbraw/zinc/88/31/10/1337883110.db2.gz IJGAYPFXEMNSSC-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001014721159 1337883113 /nfs/dbraw/zinc/88/31/13/1337883113.db2.gz IJGAYPFXEMNSSC-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[N@@H+](CCC3CCCC3)C2)ccc2c[nH+]cn21 ZINC001015035041 1337997240 /nfs/dbraw/zinc/99/72/40/1337997240.db2.gz XZNDTDPNSXHBLL-KRWDZBQOSA-N 2 1 340.471 3.027 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015392742 1338122398 /nfs/dbraw/zinc/12/23/98/1338122398.db2.gz PLUZAXHKKQNKCT-IBGZPJMESA-N 2 1 345.531 3.031 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001015596340 1338200078 /nfs/dbraw/zinc/20/00/78/1338200078.db2.gz AZJWIZLSUXDVFZ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](CCCC3CCCC3)C2)C1 ZINC001015596340 1338200080 /nfs/dbraw/zinc/20/00/80/1338200080.db2.gz AZJWIZLSUXDVFZ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001015596340 1338200084 /nfs/dbraw/zinc/20/00/84/1338200084.db2.gz AZJWIZLSUXDVFZ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603789 1338204637 /nfs/dbraw/zinc/20/46/37/1338204637.db2.gz YIXYAIQHIAFTFJ-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603789 1338204640 /nfs/dbraw/zinc/20/46/40/1338204640.db2.gz YIXYAIQHIAFTFJ-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603789 1338204643 /nfs/dbraw/zinc/20/46/43/1338204643.db2.gz YIXYAIQHIAFTFJ-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001015793593 1338313201 /nfs/dbraw/zinc/31/32/01/1338313201.db2.gz AOIHWNKEZMMUSC-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001015793593 1338313202 /nfs/dbraw/zinc/31/32/02/1338313202.db2.gz AOIHWNKEZMMUSC-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001015793593 1338313204 /nfs/dbraw/zinc/31/32/04/1338313204.db2.gz AOIHWNKEZMMUSC-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001015974111 1338387733 /nfs/dbraw/zinc/38/77/33/1338387733.db2.gz YYSQATKUWDUOPW-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001015974111 1338387737 /nfs/dbraw/zinc/38/77/37/1338387737.db2.gz YYSQATKUWDUOPW-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001015974111 1338387738 /nfs/dbraw/zinc/38/77/38/1338387738.db2.gz YYSQATKUWDUOPW-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)(C)C1CCC(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001016260804 1338526316 /nfs/dbraw/zinc/52/63/16/1338526316.db2.gz HQBPEBFOYWHFQQ-CTWPCTMYSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016661589 1338682487 /nfs/dbraw/zinc/68/24/87/1338682487.db2.gz GOMINQGNTXNKMC-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001016689250 1338691189 /nfs/dbraw/zinc/69/11/89/1338691189.db2.gz XKPOYLVAEIWSDK-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016862392 1338751492 /nfs/dbraw/zinc/75/14/92/1338751492.db2.gz XVBLUNMSJYCVNQ-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC(C)C)CC2 ZINC001016923832 1338771630 /nfs/dbraw/zinc/77/16/30/1338771630.db2.gz NHUFCHDEWZXELW-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001016924162 1338771812 /nfs/dbraw/zinc/77/18/12/1338771812.db2.gz RKLBXEVNHZTCFZ-OALUTQOASA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016984986 1338792828 /nfs/dbraw/zinc/79/28/28/1338792828.db2.gz HSHOAIPKSPHXOV-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2C)C1)[NH+](C)C ZINC001017155659 1338906303 /nfs/dbraw/zinc/90/63/03/1338906303.db2.gz ZVMYULBXNUJOQD-AZUAARDMSA-N 2 1 345.531 3.006 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001017246064 1338976854 /nfs/dbraw/zinc/97/68/54/1338976854.db2.gz LWDDCQMFGQLKSJ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001017246064 1338976857 /nfs/dbraw/zinc/97/68/57/1338976857.db2.gz LWDDCQMFGQLKSJ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001017246064 1338976859 /nfs/dbraw/zinc/97/68/59/1338976859.db2.gz LWDDCQMFGQLKSJ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001017616460 1339377387 /nfs/dbraw/zinc/37/73/87/1339377387.db2.gz BGNRFEVZWFAGFI-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001017616460 1339377391 /nfs/dbraw/zinc/37/73/91/1339377391.db2.gz BGNRFEVZWFAGFI-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001017616460 1339377393 /nfs/dbraw/zinc/37/73/93/1339377393.db2.gz BGNRFEVZWFAGFI-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001028088679 1340418174 /nfs/dbraw/zinc/41/81/74/1340418174.db2.gz NQAIJSDGFHBACP-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC2=CCCCC2)C1 ZINC001028088679 1340418175 /nfs/dbraw/zinc/41/81/75/1340418175.db2.gz NQAIJSDGFHBACP-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC2=CCCCC2)C1 ZINC001028088679 1340418178 /nfs/dbraw/zinc/41/81/78/1340418178.db2.gz NQAIJSDGFHBACP-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC2CC(C)(C)C2)C1 ZINC001028089379 1340418998 /nfs/dbraw/zinc/41/89/98/1340418998.db2.gz ZXHFUPUTJFNJAP-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC2CC(C)(C)C2)C1 ZINC001028089379 1340419000 /nfs/dbraw/zinc/41/90/00/1340419000.db2.gz ZXHFUPUTJFNJAP-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC2CC(C)(C)C2)C1 ZINC001028089379 1340419001 /nfs/dbraw/zinc/41/90/01/1340419001.db2.gz ZXHFUPUTJFNJAP-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001028089307 1340419148 /nfs/dbraw/zinc/41/91/48/1340419148.db2.gz YGYWQLICDQSNLU-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001028089307 1340419149 /nfs/dbraw/zinc/41/91/49/1340419149.db2.gz YGYWQLICDQSNLU-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001028089307 1340419150 /nfs/dbraw/zinc/41/91/50/1340419150.db2.gz YGYWQLICDQSNLU-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001028180525 1340471076 /nfs/dbraw/zinc/47/10/76/1340471076.db2.gz BTSVUCUFUXZAKE-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001028180525 1340471080 /nfs/dbraw/zinc/47/10/80/1340471080.db2.gz BTSVUCUFUXZAKE-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC001028180525 1340471083 /nfs/dbraw/zinc/47/10/83/1340471083.db2.gz BTSVUCUFUXZAKE-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001028180527 1340471289 /nfs/dbraw/zinc/47/12/89/1340471289.db2.gz BTSVUCUFUXZAKE-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001028180527 1340471290 /nfs/dbraw/zinc/47/12/90/1340471290.db2.gz BTSVUCUFUXZAKE-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC001028180527 1340471292 /nfs/dbraw/zinc/47/12/92/1340471292.db2.gz BTSVUCUFUXZAKE-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CC1 ZINC001028252651 1340512474 /nfs/dbraw/zinc/51/24/74/1340512474.db2.gz ZZJXUULGZNKFOE-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CC1 ZINC001028252651 1340512477 /nfs/dbraw/zinc/51/24/77/1340512477.db2.gz ZZJXUULGZNKFOE-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CC1 ZINC001028252651 1340512482 /nfs/dbraw/zinc/51/24/82/1340512482.db2.gz ZZJXUULGZNKFOE-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC=C(C)C)o1 ZINC001028342819 1340582588 /nfs/dbraw/zinc/58/25/88/1340582588.db2.gz HCRVTHGEPWHLBA-QGZVFWFLSA-N 2 1 347.503 3.282 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001028537959 1340694097 /nfs/dbraw/zinc/69/40/97/1340694097.db2.gz WKAKSIGQCQDAJR-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001028537959 1340694098 /nfs/dbraw/zinc/69/40/98/1340694098.db2.gz WKAKSIGQCQDAJR-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001028537959 1340694100 /nfs/dbraw/zinc/69/41/00/1340694100.db2.gz WKAKSIGQCQDAJR-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001028580384 1340713488 /nfs/dbraw/zinc/71/34/88/1340713488.db2.gz VOLAWAGEJDFLDE-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001028580384 1340713490 /nfs/dbraw/zinc/71/34/90/1340713490.db2.gz VOLAWAGEJDFLDE-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001028580384 1340713492 /nfs/dbraw/zinc/71/34/92/1340713492.db2.gz VOLAWAGEJDFLDE-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001028580385 1340713680 /nfs/dbraw/zinc/71/36/80/1340713680.db2.gz VOLAWAGEJDFLDE-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001028580385 1340713681 /nfs/dbraw/zinc/71/36/81/1340713681.db2.gz VOLAWAGEJDFLDE-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001028580385 1340713684 /nfs/dbraw/zinc/71/36/84/1340713684.db2.gz VOLAWAGEJDFLDE-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001028636279 1340737357 /nfs/dbraw/zinc/73/73/57/1340737357.db2.gz NQYVLJMNJXSFPZ-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001028636279 1340737362 /nfs/dbraw/zinc/73/73/62/1340737362.db2.gz NQYVLJMNJXSFPZ-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001028636279 1340737366 /nfs/dbraw/zinc/73/73/66/1340737366.db2.gz NQYVLJMNJXSFPZ-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001028692921 1340761578 /nfs/dbraw/zinc/76/15/78/1340761578.db2.gz DRCQSLJOTBEASQ-DLBZAZTESA-N 2 1 348.450 3.147 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+](CC3CCCCCC3)C2)CC[N@H+]1C ZINC001028762375 1340797885 /nfs/dbraw/zinc/79/78/85/1340797885.db2.gz KWFJJAOEUOGHBX-SXLOBPIMSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001028762375 1340797888 /nfs/dbraw/zinc/79/78/88/1340797888.db2.gz KWFJJAOEUOGHBX-SXLOBPIMSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001028762375 1340797891 /nfs/dbraw/zinc/79/78/91/1340797891.db2.gz KWFJJAOEUOGHBX-SXLOBPIMSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001028845141 1340855842 /nfs/dbraw/zinc/85/58/42/1340855842.db2.gz GXSZNTGRPBUODX-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001028845141 1340855844 /nfs/dbraw/zinc/85/58/44/1340855844.db2.gz GXSZNTGRPBUODX-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001028845141 1340855846 /nfs/dbraw/zinc/85/58/46/1340855846.db2.gz GXSZNTGRPBUODX-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001029114284 1340933306 /nfs/dbraw/zinc/93/33/06/1340933306.db2.gz WXUURFSUTIOZBT-XLIONFOSSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](C)C1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCCCC2)CCC1 ZINC001029337243 1340973750 /nfs/dbraw/zinc/97/37/50/1340973750.db2.gz MMKXOMXVBDVCOK-KDURUIRLSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@@H+](CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1=CCCCC1)C1CCC1 ZINC001029340017 1340974093 /nfs/dbraw/zinc/97/40/93/1340974093.db2.gz VUYLXUDFONIMNH-BGYRXZFFSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1=CCCCC1)C1CCC1 ZINC001029340017 1340974094 /nfs/dbraw/zinc/97/40/94/1340974094.db2.gz VUYLXUDFONIMNH-BGYRXZFFSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1=CCCCC1)C1CCC1 ZINC001029340017 1340974095 /nfs/dbraw/zinc/97/40/95/1340974095.db2.gz VUYLXUDFONIMNH-BGYRXZFFSA-N 2 1 345.531 3.036 20 0 EGADMP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1ccccc1C)[NH+](C)C ZINC001029357363 1340976874 /nfs/dbraw/zinc/97/68/74/1340976874.db2.gz GDASYSCWFTZTKA-FTEYMNFISA-N 2 1 343.515 3.071 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001029474034 1340998207 /nfs/dbraw/zinc/99/82/07/1340998207.db2.gz FIZQLLMBRHQEKY-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001029474034 1340998209 /nfs/dbraw/zinc/99/82/09/1340998209.db2.gz FIZQLLMBRHQEKY-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001029474034 1340998211 /nfs/dbraw/zinc/99/82/11/1340998211.db2.gz FIZQLLMBRHQEKY-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC(C)(C)CC1)[NH+](C)C ZINC001029478702 1340998382 /nfs/dbraw/zinc/99/83/82/1340998382.db2.gz XIJYOSSSCGODML-OTWHNJEPSA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001029550196 1341010769 /nfs/dbraw/zinc/01/07/69/1341010769.db2.gz DHSKIVYWUFZOGT-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001029550196 1341010770 /nfs/dbraw/zinc/01/07/70/1341010770.db2.gz DHSKIVYWUFZOGT-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001029550196 1341010771 /nfs/dbraw/zinc/01/07/71/1341010771.db2.gz DHSKIVYWUFZOGT-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH+](C)CC3CCCCC3)C2)CC[N@H+]1C ZINC001029742085 1341059968 /nfs/dbraw/zinc/05/99/68/1341059968.db2.gz KVUGGHPWRGRPAD-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[N@H+](C)CC3CCCCC3)C2)CC[NH+]1C ZINC001029742085 1341059969 /nfs/dbraw/zinc/05/99/69/1341059969.db2.gz KVUGGHPWRGRPAD-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[N@@H+](C)CC3CCCCC3)C2)CC[NH+]1C ZINC001029742085 1341059971 /nfs/dbraw/zinc/05/99/71/1341059971.db2.gz KVUGGHPWRGRPAD-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029751556 1341063812 /nfs/dbraw/zinc/06/38/12/1341063812.db2.gz XHNKJJFEGLFNEU-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001029751556 1341063813 /nfs/dbraw/zinc/06/38/13/1341063813.db2.gz XHNKJJFEGLFNEU-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001029751556 1341063814 /nfs/dbraw/zinc/06/38/14/1341063814.db2.gz XHNKJJFEGLFNEU-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC(C[N@@H+](C)CC2CCCCC2)CC1)C1CC1 ZINC001029969925 1341138937 /nfs/dbraw/zinc/13/89/37/1341138937.db2.gz DANJGXUZHIMECR-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+](CC1=CCCCC1)CC1CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001029970242 1341139038 /nfs/dbraw/zinc/13/90/38/1341139038.db2.gz QTSMFMWYKMCXOX-UHFFFAOYSA-N 2 1 344.503 3.013 20 0 EGADMP C[N@@H+](CC1=CCCCC1)CC1CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001029970242 1341139039 /nfs/dbraw/zinc/13/90/39/1341139039.db2.gz QTSMFMWYKMCXOX-UHFFFAOYSA-N 2 1 344.503 3.013 20 0 EGADMP C[N@H+](CC1=CCCCC1)CC1CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001029970242 1341139040 /nfs/dbraw/zinc/13/90/40/1341139040.db2.gz QTSMFMWYKMCXOX-UHFFFAOYSA-N 2 1 344.503 3.013 20 0 EGADMP CC1CC(C[N@@H+](C)CC2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001030014559 1341158359 /nfs/dbraw/zinc/15/83/59/1341158359.db2.gz AISBEKDKNGWTRM-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@@H+](CC1CCCC1)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001030014603 1341158433 /nfs/dbraw/zinc/15/84/33/1341158433.db2.gz CYXKNTMRLBWZBP-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030020544 1341159864 /nfs/dbraw/zinc/15/98/64/1341159864.db2.gz JZMCEPFJSGOVBL-HBFSDRIKSA-N 2 1 343.515 3.121 20 0 EGADMP CCC(CC)C[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001030831739 1341232733 /nfs/dbraw/zinc/23/27/33/1341232733.db2.gz OZQMQMOMCXOTMA-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001031258955 1341306210 /nfs/dbraw/zinc/30/62/10/1341306210.db2.gz VTCNLGQYUVOGSE-DLBZAZTESA-N 2 1 343.515 3.013 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001031258955 1341306211 /nfs/dbraw/zinc/30/62/11/1341306211.db2.gz VTCNLGQYUVOGSE-DLBZAZTESA-N 2 1 343.515 3.013 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001031660282 1341384069 /nfs/dbraw/zinc/38/40/69/1341384069.db2.gz GRKZRRLPSRUDPL-WOJBJXKFSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)C2 ZINC001072886267 1355485201 /nfs/dbraw/zinc/48/52/01/1355485201.db2.gz MQYYRMLKSSYDPL-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2 ZINC001072886267 1355485204 /nfs/dbraw/zinc/48/52/04/1355485204.db2.gz MQYYRMLKSSYDPL-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2 ZINC001072886267 1355485208 /nfs/dbraw/zinc/48/52/08/1355485208.db2.gz MQYYRMLKSSYDPL-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001032119585 1341458641 /nfs/dbraw/zinc/45/86/41/1341458641.db2.gz VQSMADZEAVRQNI-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1=CCCCC1 ZINC001032432767 1341510891 /nfs/dbraw/zinc/51/08/91/1341510891.db2.gz ANTYRFHKLIOZJG-UFYCRDLUSA-N 2 1 345.531 3.036 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1=CCCCC1 ZINC001032432767 1341510893 /nfs/dbraw/zinc/51/08/93/1341510893.db2.gz ANTYRFHKLIOZJG-UFYCRDLUSA-N 2 1 345.531 3.036 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1=CCCCC1 ZINC001032432767 1341510896 /nfs/dbraw/zinc/51/08/96/1341510896.db2.gz ANTYRFHKLIOZJG-UFYCRDLUSA-N 2 1 345.531 3.036 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC(C)C)o1 ZINC001032812922 1341624641 /nfs/dbraw/zinc/62/46/41/1341624641.db2.gz UIHXFSYOLHXCEP-IRXDYDNUSA-N 2 1 347.503 3.066 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001033143540 1341738239 /nfs/dbraw/zinc/73/82/39/1341738239.db2.gz HMMOJCLSDQQFDK-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCC3CCCC3)C2)C1 ZINC001033143540 1341738240 /nfs/dbraw/zinc/73/82/40/1341738240.db2.gz HMMOJCLSDQQFDK-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001033143540 1341738241 /nfs/dbraw/zinc/73/82/41/1341738241.db2.gz HMMOJCLSDQQFDK-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033319448 1341779936 /nfs/dbraw/zinc/77/99/36/1341779936.db2.gz QABPBEZGRUZDJD-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001033350361 1341791650 /nfs/dbraw/zinc/79/16/50/1341791650.db2.gz AGOPPUQMPHIRJR-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCC3CCCC3)C2)C1 ZINC001033350361 1341791653 /nfs/dbraw/zinc/79/16/53/1341791653.db2.gz AGOPPUQMPHIRJR-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001033350361 1341791654 /nfs/dbraw/zinc/79/16/54/1341791654.db2.gz AGOPPUQMPHIRJR-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](CC(CC)CC)C2)C1 ZINC001033353003 1341793352 /nfs/dbraw/zinc/79/33/52/1341793352.db2.gz CHTSOANVYGLIST-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC(CC)CC)C2)C1 ZINC001033353003 1341793354 /nfs/dbraw/zinc/79/33/54/1341793354.db2.gz CHTSOANVYGLIST-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC(CC)CC)C2)C1 ZINC001033353003 1341793355 /nfs/dbraw/zinc/79/33/55/1341793355.db2.gz CHTSOANVYGLIST-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001033422662 1341821536 /nfs/dbraw/zinc/82/15/36/1341821536.db2.gz HXHPZJSZPIBGMC-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001033422662 1341821538 /nfs/dbraw/zinc/82/15/38/1341821538.db2.gz HXHPZJSZPIBGMC-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001033422662 1341821539 /nfs/dbraw/zinc/82/15/39/1341821539.db2.gz HXHPZJSZPIBGMC-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033470887 1341839398 /nfs/dbraw/zinc/83/93/98/1341839398.db2.gz FOWCLDNMQLYCGF-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033470887 1341839399 /nfs/dbraw/zinc/83/93/99/1341839399.db2.gz FOWCLDNMQLYCGF-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033470887 1341839400 /nfs/dbraw/zinc/83/94/00/1341839400.db2.gz FOWCLDNMQLYCGF-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001033549598 1341867137 /nfs/dbraw/zinc/86/71/37/1341867137.db2.gz CKUTZEJXKJWRPD-SFHVURJKSA-N 2 1 337.552 3.076 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCc3cccc(Br)c3)C[C@@H]2C1 ZINC001208822489 1371907590 /nfs/dbraw/zinc/90/75/90/1371907590.db2.gz MNUFOFQHIVVYAF-CVEARBPZSA-N 2 1 337.305 3.265 20 0 EGADMP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033883552 1342058118 /nfs/dbraw/zinc/05/81/18/1342058118.db2.gz PYVBCFFGBYVKDI-GOSISDBHSA-N 2 1 340.471 3.061 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCc3cccc(Br)c3)C[C@@H]2C1 ZINC001208822489 1371907595 /nfs/dbraw/zinc/90/75/95/1371907595.db2.gz MNUFOFQHIVVYAF-CVEARBPZSA-N 2 1 337.305 3.265 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC001033988384 1342132809 /nfs/dbraw/zinc/13/28/09/1342132809.db2.gz DNVDIHGOKDIWLG-LPHOPBHVSA-N 2 1 349.494 3.033 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCc3cccc(Br)c3)C[C@@H]2C1 ZINC001208822489 1371907597 /nfs/dbraw/zinc/90/75/97/1371907597.db2.gz MNUFOFQHIVVYAF-CVEARBPZSA-N 2 1 337.305 3.265 20 0 EGADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC001034046738 1342186029 /nfs/dbraw/zinc/18/60/29/1342186029.db2.gz VABCTIMGQLHLDF-VQIMIIECSA-N 2 1 349.494 3.033 20 0 EGADMP CC[C@@H](F)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034046219 1342186553 /nfs/dbraw/zinc/18/65/53/1342186553.db2.gz QSZLEABBPQUBFC-RTBURBONSA-N 2 1 349.494 3.033 20 0 EGADMP CCCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034050607 1342191998 /nfs/dbraw/zinc/19/19/98/1342191998.db2.gz NTIKEBJTBJDMSY-QGZVFWFLSA-N 2 1 349.519 3.458 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034248437 1342345572 /nfs/dbraw/zinc/34/55/72/1342345572.db2.gz CEGZTSIGZXTYBL-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCCC[N@H+](CC2CCC2)C1 ZINC001034248437 1342345577 /nfs/dbraw/zinc/34/55/77/1342345577.db2.gz CEGZTSIGZXTYBL-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCCC[N@@H+](CC2CCC2)C1 ZINC001034248437 1342345578 /nfs/dbraw/zinc/34/55/78/1342345578.db2.gz CEGZTSIGZXTYBL-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034251024 1342347486 /nfs/dbraw/zinc/34/74/86/1342347486.db2.gz UZJCDQUDMVUJTE-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034251024 1342347489 /nfs/dbraw/zinc/34/74/89/1342347489.db2.gz UZJCDQUDMVUJTE-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034251024 1342347494 /nfs/dbraw/zinc/34/74/94/1342347494.db2.gz UZJCDQUDMVUJTE-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034251300 1342348192 /nfs/dbraw/zinc/34/81/92/1342348192.db2.gz YFSHHTFDNPKBFQ-ZWKOTPCHSA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034251300 1342348195 /nfs/dbraw/zinc/34/81/95/1342348195.db2.gz YFSHHTFDNPKBFQ-ZWKOTPCHSA-N 2 1 346.519 3.167 20 0 EGADMP Cc1c(C(=O)N[C@H]2CCCC[N@@H+](CCC3CC3)C2)ccc2c[nH+]cn21 ZINC001034284263 1342372579 /nfs/dbraw/zinc/37/25/79/1342372579.db2.gz IJXGDHRZIZFJRC-KRWDZBQOSA-N 2 1 340.471 3.027 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034287969 1342375174 /nfs/dbraw/zinc/37/51/74/1342375174.db2.gz JRMSDCAFYJGCKJ-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034287969 1342375177 /nfs/dbraw/zinc/37/51/77/1342375177.db2.gz JRMSDCAFYJGCKJ-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034287969 1342375181 /nfs/dbraw/zinc/37/51/81/1342375181.db2.gz JRMSDCAFYJGCKJ-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CCC(C[N@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001034386598 1342454697 /nfs/dbraw/zinc/45/46/97/1342454697.db2.gz SXNVFDGDKZDLCZ-QLOJAFMTSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001034437673 1342500029 /nfs/dbraw/zinc/50/00/29/1342500029.db2.gz IBACOWOHCGJHCI-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034537873 1342595481 /nfs/dbraw/zinc/59/54/81/1342595481.db2.gz GGDUBQGZAXDZMO-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001034537873 1342595489 /nfs/dbraw/zinc/59/54/89/1342595489.db2.gz GGDUBQGZAXDZMO-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001034537873 1342595493 /nfs/dbraw/zinc/59/54/93/1342595493.db2.gz GGDUBQGZAXDZMO-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](F)CC[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034542860 1342602385 /nfs/dbraw/zinc/60/23/85/1342602385.db2.gz BPMFSQSMTXQWSY-FUHWJXTLSA-N 2 1 349.494 3.081 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034544969 1342605924 /nfs/dbraw/zinc/60/59/24/1342605924.db2.gz WROOLLIROGDNRI-QZTJIDSGSA-N 2 1 349.494 3.081 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC001034643004 1342668832 /nfs/dbraw/zinc/66/88/32/1342668832.db2.gz MOAFZWHMWPGCHE-FHWLQOOXSA-N 2 1 349.563 3.312 20 0 EGADMP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001034675095 1342686618 /nfs/dbraw/zinc/68/66/18/1342686618.db2.gz NWYGWMXAQIBUKB-MUGJNUQGSA-N 2 1 347.547 3.211 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC3=CCCCC3)CC2)C1 ZINC001034736261 1342728959 /nfs/dbraw/zinc/72/89/59/1342728959.db2.gz UYVVYUGFBPQGSJ-WGSAOQKQSA-N 2 1 347.547 3.236 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001034794460 1342761960 /nfs/dbraw/zinc/76/19/60/1342761960.db2.gz ITEQORWPTIHZGD-WGSAOQKQSA-N 2 1 346.519 3.179 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1)C1CCC1 ZINC001034957873 1342852874 /nfs/dbraw/zinc/85/28/74/1342852874.db2.gz NMVRTUAYMJANQT-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035721136 1343151823 /nfs/dbraw/zinc/15/18/23/1343151823.db2.gz QLTFEYFEHPCPPE-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)CC2 ZINC001035737007 1343161571 /nfs/dbraw/zinc/16/15/71/1343161571.db2.gz NSROPHZVRSSFLB-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H]([NH2+]CC2CCC2)[C@H](C)C1 ZINC001036202799 1343361957 /nfs/dbraw/zinc/36/19/57/1343361957.db2.gz KPJZKCDJMUHYNG-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001036409212 1343470031 /nfs/dbraw/zinc/47/00/31/1343470031.db2.gz HBRHCGJCSXOVHZ-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC2CC2)C1 ZINC001036458211 1343497587 /nfs/dbraw/zinc/49/75/87/1343497587.db2.gz UBEXDBVUGNSLAP-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036755270 1343677585 /nfs/dbraw/zinc/67/75/85/1343677585.db2.gz TWJCGUNLUJGBKA-PKOBYXMFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@H]21 ZINC001036755270 1343677586 /nfs/dbraw/zinc/67/75/86/1343677586.db2.gz TWJCGUNLUJGBKA-PKOBYXMFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@H]21 ZINC001036755270 1343677587 /nfs/dbraw/zinc/67/75/87/1343677587.db2.gz TWJCGUNLUJGBKA-PKOBYXMFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCC2=CCCCC2)C1 ZINC001038340389 1344386625 /nfs/dbraw/zinc/38/66/25/1344386625.db2.gz NCLNVZOANMLFHI-WOJBJXKFSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCC2=CCCCC2)C1 ZINC001038340389 1344386629 /nfs/dbraw/zinc/38/66/29/1344386629.db2.gz NCLNVZOANMLFHI-WOJBJXKFSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCC2=CCCCC2)C1 ZINC001038340389 1344386633 /nfs/dbraw/zinc/38/66/33/1344386633.db2.gz NCLNVZOANMLFHI-WOJBJXKFSA-N 2 1 347.547 3.045 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CC1CCCCCC1)c1ccc2c[nH+]cn2c1 ZINC001038520948 1344464481 /nfs/dbraw/zinc/46/44/81/1344464481.db2.gz TXBYPNGDODEBDO-LJQANCHMSA-N 2 1 340.471 3.109 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001038646164 1344520746 /nfs/dbraw/zinc/52/07/46/1344520746.db2.gz OURXULSUQCDRPP-SFHVURJKSA-N 2 1 345.487 3.036 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001038646164 1344520747 /nfs/dbraw/zinc/52/07/47/1344520747.db2.gz OURXULSUQCDRPP-SFHVURJKSA-N 2 1 345.487 3.036 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2CC2CCCC2)o1 ZINC001039071578 1344754390 /nfs/dbraw/zinc/75/43/90/1344754390.db2.gz AUQGZTKJABROJE-QGZVFWFLSA-N 2 1 347.503 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167152 1344852688 /nfs/dbraw/zinc/85/26/88/1344852688.db2.gz MZBULMWBQQLEKV-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CC1 ZINC001039709742 1345166394 /nfs/dbraw/zinc/16/63/94/1345166394.db2.gz DVXKTQSSTGPQFN-KDURUIRLSA-N 2 1 347.547 3.115 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC1 ZINC001039709742 1345166395 /nfs/dbraw/zinc/16/63/95/1345166395.db2.gz DVXKTQSSTGPQFN-KDURUIRLSA-N 2 1 347.547 3.115 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001039709742 1345166398 /nfs/dbraw/zinc/16/63/98/1345166398.db2.gz DVXKTQSSTGPQFN-KDURUIRLSA-N 2 1 347.547 3.115 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001040014977 1345288236 /nfs/dbraw/zinc/28/82/36/1345288236.db2.gz VJBGWHPHMFMTGP-QGFMHUBQSA-N 2 1 349.563 3.361 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001040014977 1345288241 /nfs/dbraw/zinc/28/82/41/1345288241.db2.gz VJBGWHPHMFMTGP-QGFMHUBQSA-N 2 1 349.563 3.361 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001040014977 1345288245 /nfs/dbraw/zinc/28/82/45/1345288245.db2.gz VJBGWHPHMFMTGP-QGFMHUBQSA-N 2 1 349.563 3.361 20 0 EGADMP CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040241640 1345391319 /nfs/dbraw/zinc/39/13/19/1345391319.db2.gz QKPBLNRMLPHJQW-FPOVZHCZSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001040241640 1345391320 /nfs/dbraw/zinc/39/13/20/1345391320.db2.gz QKPBLNRMLPHJQW-FPOVZHCZSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001040241640 1345391324 /nfs/dbraw/zinc/39/13/24/1345391324.db2.gz QKPBLNRMLPHJQW-FPOVZHCZSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040242183 1345392463 /nfs/dbraw/zinc/39/24/63/1345392463.db2.gz WZDQBKNGQCKJDC-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040242183 1345392466 /nfs/dbraw/zinc/39/24/66/1345392466.db2.gz WZDQBKNGQCKJDC-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040242183 1345392470 /nfs/dbraw/zinc/39/24/70/1345392470.db2.gz WZDQBKNGQCKJDC-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275152 1345407537 /nfs/dbraw/zinc/40/75/37/1345407537.db2.gz JADCASWQXQFYJC-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040275152 1345407542 /nfs/dbraw/zinc/40/75/42/1345407542.db2.gz JADCASWQXQFYJC-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040275152 1345407543 /nfs/dbraw/zinc/40/75/43/1345407543.db2.gz JADCASWQXQFYJC-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC(C)(C)C)C2)[NH+](C)C ZINC001040398959 1345476372 /nfs/dbraw/zinc/47/63/72/1345476372.db2.gz MRKNLXXSDFIVDX-FXAWDEMLSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)CC1 ZINC001040882326 1345593705 /nfs/dbraw/zinc/59/37/05/1345593705.db2.gz CSISOYVSWUSHIO-OALUTQOASA-N 2 1 347.547 3.118 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041726441 1345833600 /nfs/dbraw/zinc/83/36/00/1345833600.db2.gz YLSHUBNMGJJAFF-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845931 1345871720 /nfs/dbraw/zinc/87/17/20/1345871720.db2.gz SJVNWCNKUOKIJT-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C2C[NH+](CC3CCCCCC3)C2)C1 ZINC001042910687 1346124648 /nfs/dbraw/zinc/12/46/48/1346124648.db2.gz DYACNJHXELANTL-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1C[NH+](CCC2CCCCCC2)C1 ZINC001043886510 1346218304 /nfs/dbraw/zinc/21/83/04/1346218304.db2.gz WLZOQPPDOOMSCR-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CCCC2CCCC2)C1 ZINC001044006847 1346232698 /nfs/dbraw/zinc/23/26/98/1346232698.db2.gz XBHPAZTYIDITAF-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CCCC2CCCC2)C1 ZINC001044006847 1346232700 /nfs/dbraw/zinc/23/27/00/1346232700.db2.gz XBHPAZTYIDITAF-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C[C@H]1C ZINC001044865072 1346449270 /nfs/dbraw/zinc/44/92/70/1346449270.db2.gz NDBISAQNFRSQLV-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001045037236 1346484089 /nfs/dbraw/zinc/48/40/89/1346484089.db2.gz JWUXWGLTWBPRHX-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001045475801 1346603186 /nfs/dbraw/zinc/60/31/86/1346603186.db2.gz RAGCHAQWEOIFSR-MSOLQXFVSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1 ZINC001045732841 1346682443 /nfs/dbraw/zinc/68/24/43/1346682443.db2.gz ZSUGEYACBAEFFN-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001045732841 1346682444 /nfs/dbraw/zinc/68/24/44/1346682444.db2.gz ZSUGEYACBAEFFN-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001045780650 1346696481 /nfs/dbraw/zinc/69/64/81/1346696481.db2.gz HCSPXSIMUVJXSN-KSZLIROESA-N 2 1 346.519 3.118 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001045780650 1346696482 /nfs/dbraw/zinc/69/64/82/1346696482.db2.gz HCSPXSIMUVJXSN-KSZLIROESA-N 2 1 346.519 3.118 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001045797355 1346701024 /nfs/dbraw/zinc/70/10/24/1346701024.db2.gz CQPYJYSPXMWMKN-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001045797355 1346701026 /nfs/dbraw/zinc/70/10/26/1346701026.db2.gz CQPYJYSPXMWMKN-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001045797355 1346701033 /nfs/dbraw/zinc/70/10/33/1346701033.db2.gz CQPYJYSPXMWMKN-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@]3(CC[NH+](C(C)C)C3)C2)C1 ZINC001045943903 1346779032 /nfs/dbraw/zinc/77/90/32/1346779032.db2.gz RGQAIZDURBOSRI-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CCCC[C@@]3(CC[N@@H+](C(C)C)C3)C2)C1 ZINC001045943903 1346779033 /nfs/dbraw/zinc/77/90/33/1346779033.db2.gz RGQAIZDURBOSRI-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CCCC[C@@]3(CC[N@H+](C(C)C)C3)C2)C1 ZINC001045943903 1346779035 /nfs/dbraw/zinc/77/90/35/1346779035.db2.gz RGQAIZDURBOSRI-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001045974053 1346810307 /nfs/dbraw/zinc/81/03/07/1346810307.db2.gz XCSRWLYRUWWXJX-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045986119 1346826537 /nfs/dbraw/zinc/82/65/37/1346826537.db2.gz HJHISIYRVZARLH-NRFANRHFSA-N 2 1 349.563 3.367 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046705730 1347068420 /nfs/dbraw/zinc/06/84/20/1347068420.db2.gz DGSXGVCWQAIBTL-OAQYLSRUSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047240942 1347266992 /nfs/dbraw/zinc/26/69/92/1347266992.db2.gz LVGOWAOEUWUDCC-PMACEKPBSA-N 2 1 349.563 3.218 20 0 EGADMP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001047245140 1347270460 /nfs/dbraw/zinc/27/04/60/1347270460.db2.gz XRRXXEUGMRTFMY-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001047256817 1347280189 /nfs/dbraw/zinc/28/01/89/1347280189.db2.gz CGSSQWWEFCBZDL-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047258146 1347281182 /nfs/dbraw/zinc/28/11/82/1347281182.db2.gz YEJGYNZMLODNOC-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1C ZINC001079687736 1357348737 /nfs/dbraw/zinc/34/87/37/1357348737.db2.gz UTRCGZXVIPVPSZ-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1C ZINC001079687736 1357348742 /nfs/dbraw/zinc/34/87/42/1357348742.db2.gz UTRCGZXVIPVPSZ-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1C ZINC001079687736 1357348744 /nfs/dbraw/zinc/34/87/44/1357348744.db2.gz UTRCGZXVIPVPSZ-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001047890351 1347400365 /nfs/dbraw/zinc/40/03/65/1347400365.db2.gz ZMEAJZFNCMXQCW-SJLPKXTDSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCC(C)(C)C)C[C@@H]2C1 ZINC001049097298 1347724817 /nfs/dbraw/zinc/72/48/17/1347724817.db2.gz JUQWORFRPCNMHH-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001049097298 1347724818 /nfs/dbraw/zinc/72/48/18/1347724818.db2.gz JUQWORFRPCNMHH-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001049097298 1347724820 /nfs/dbraw/zinc/72/48/20/1347724820.db2.gz JUQWORFRPCNMHH-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049486297 1347871877 /nfs/dbraw/zinc/87/18/77/1347871877.db2.gz RBSXVCKCNYLTDO-RCCFBDPRSA-N 2 1 346.519 3.262 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049486297 1347871880 /nfs/dbraw/zinc/87/18/80/1347871880.db2.gz RBSXVCKCNYLTDO-RCCFBDPRSA-N 2 1 346.519 3.262 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572668 1347916023 /nfs/dbraw/zinc/91/60/23/1347916023.db2.gz MRTMSIGXOBEAEW-SNRMKQJTSA-N 2 1 340.471 3.059 20 0 EGADMP CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCC1)[NH+]1CCCC1 ZINC001049630614 1347943928 /nfs/dbraw/zinc/94/39/28/1347943928.db2.gz RPZTZXHBNKGCQJ-MOPGFXCFSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC1CCCC1 ZINC001049655830 1347958101 /nfs/dbraw/zinc/95/81/01/1347958101.db2.gz RWLVUBXOYGJFBV-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CCCC1 ZINC001049655830 1347958103 /nfs/dbraw/zinc/95/81/03/1347958103.db2.gz RWLVUBXOYGJFBV-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CCCC1 ZINC001049655830 1347958106 /nfs/dbraw/zinc/95/81/06/1347958106.db2.gz RWLVUBXOYGJFBV-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCCC1)[NH+](C)C ZINC001049707146 1347983789 /nfs/dbraw/zinc/98/37/89/1347983789.db2.gz CJWWGGVJGBMRRH-SLFFLAALSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049719674 1347990216 /nfs/dbraw/zinc/99/02/16/1347990216.db2.gz RYUQRRRNEFHJSK-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049719674 1347990217 /nfs/dbraw/zinc/99/02/17/1347990217.db2.gz RYUQRRRNEFHJSK-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049719674 1347990220 /nfs/dbraw/zinc/99/02/20/1347990220.db2.gz RYUQRRRNEFHJSK-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049764647 1348009593 /nfs/dbraw/zinc/00/95/93/1348009593.db2.gz DVMPEZHVMBOZSD-GBESFXJTSA-N 2 1 335.536 3.116 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049768683 1348011640 /nfs/dbraw/zinc/01/16/40/1348011640.db2.gz YPJUFGMKXBAOBK-XUVXKRRUSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001049768683 1348011643 /nfs/dbraw/zinc/01/16/43/1348011643.db2.gz YPJUFGMKXBAOBK-XUVXKRRUSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001049768683 1348011646 /nfs/dbraw/zinc/01/16/46/1348011646.db2.gz YPJUFGMKXBAOBK-XUVXKRRUSA-N 2 1 349.563 3.361 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC001049918894 1348111898 /nfs/dbraw/zinc/11/18/98/1348111898.db2.gz NHXJRPLYDLVICG-GUDVDZBRSA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049918894 1348111900 /nfs/dbraw/zinc/11/19/00/1348111900.db2.gz NHXJRPLYDLVICG-GUDVDZBRSA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(C)(C)C ZINC001049918894 1348111901 /nfs/dbraw/zinc/11/19/01/1348111901.db2.gz NHXJRPLYDLVICG-GUDVDZBRSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050046468 1348164845 /nfs/dbraw/zinc/16/48/45/1348164845.db2.gz FWOLVLALKWNMTQ-XUVXKRRUSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050046468 1348164848 /nfs/dbraw/zinc/16/48/48/1348164848.db2.gz FWOLVLALKWNMTQ-XUVXKRRUSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001050046468 1348164849 /nfs/dbraw/zinc/16/48/49/1348164849.db2.gz FWOLVLALKWNMTQ-XUVXKRRUSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CCC(C)(C)C)CC3)CC[N@H+]1C ZINC001050524110 1348283203 /nfs/dbraw/zinc/28/32/03/1348283203.db2.gz SYQUDVJOZMQWQZ-ZWKOTPCHSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001050550267 1348287834 /nfs/dbraw/zinc/28/78/34/1348287834.db2.gz JFXHVQVXUGMKKB-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2CC2)CC1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001052381186 1348536875 /nfs/dbraw/zinc/53/68/75/1348536875.db2.gz MBQFLSRRTQACRR-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CC2CC2)CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001052381186 1348536877 /nfs/dbraw/zinc/53/68/77/1348536877.db2.gz MBQFLSRRTQACRR-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001052381186 1348536878 /nfs/dbraw/zinc/53/68/78/1348536878.db2.gz MBQFLSRRTQACRR-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052446997 1348543640 /nfs/dbraw/zinc/54/36/40/1348543640.db2.gz VHBPSLJLTLXJLZ-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052446997 1348543645 /nfs/dbraw/zinc/54/36/45/1348543645.db2.gz VHBPSLJLTLXJLZ-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052446997 1348543646 /nfs/dbraw/zinc/54/36/46/1348543646.db2.gz VHBPSLJLTLXJLZ-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052507217 1348561893 /nfs/dbraw/zinc/56/18/93/1348561893.db2.gz SZTCDXHWLQRQGE-QGZVFWFLSA-N 2 1 340.471 3.193 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1)C12CCC[NH+]1CCC2 ZINC001052529915 1348567288 /nfs/dbraw/zinc/56/72/88/1348567288.db2.gz UWWHTDNTIWXQFW-LJQANCHMSA-N 2 1 347.547 3.166 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001052589498 1348587635 /nfs/dbraw/zinc/58/76/35/1348587635.db2.gz JLNOYNMZXJLTIS-LJQANCHMSA-N 2 1 345.531 3.175 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052762753 1348668324 /nfs/dbraw/zinc/66/83/24/1348668324.db2.gz BQUDEYVEABQDKM-RBUKOAKNSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052762753 1348668328 /nfs/dbraw/zinc/66/83/28/1348668328.db2.gz BQUDEYVEABQDKM-RBUKOAKNSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052762753 1348668331 /nfs/dbraw/zinc/66/83/31/1348668331.db2.gz BQUDEYVEABQDKM-RBUKOAKNSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764387 1348669387 /nfs/dbraw/zinc/66/93/87/1348669387.db2.gz NTYLAOFRHHOANK-OALUTQOASA-N 2 1 335.536 3.188 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC001052764722 1348669498 /nfs/dbraw/zinc/66/94/98/1348669498.db2.gz RMTVKANRCIVJPO-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052956561 1348770684 /nfs/dbraw/zinc/77/06/84/1348770684.db2.gz UUJGMVMDVTYBKD-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052956561 1348770687 /nfs/dbraw/zinc/77/06/87/1348770687.db2.gz UUJGMVMDVTYBKD-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052956561 1348770693 /nfs/dbraw/zinc/77/06/93/1348770693.db2.gz UUJGMVMDVTYBKD-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001054155890 1349158682 /nfs/dbraw/zinc/15/86/82/1349158682.db2.gz CPAXLOSZJKDGGR-OAQYLSRUSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001054155890 1349158687 /nfs/dbraw/zinc/15/86/87/1349158687.db2.gz CPAXLOSZJKDGGR-OAQYLSRUSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001054155890 1349158692 /nfs/dbraw/zinc/15/86/92/1349158692.db2.gz CPAXLOSZJKDGGR-OAQYLSRUSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1)[NH+](C)C ZINC001054191780 1349194033 /nfs/dbraw/zinc/19/40/33/1349194033.db2.gz MEHBWPRRHNYUHS-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245229 1349238264 /nfs/dbraw/zinc/23/82/64/1349238264.db2.gz QKUXARJFWWWAOS-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054245044 1349238640 /nfs/dbraw/zinc/23/86/40/1349238640.db2.gz NSYXNGHURYHVEE-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](C(C)C)C2)C1)[NH+]1CCCCC1 ZINC001054244821 1349238698 /nfs/dbraw/zinc/23/86/98/1349238698.db2.gz IWVSEWCQRIKGHI-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCc2ccc3c(c2)C[NH+](CC(C)C)C3)CC[N@H+]1C ZINC001054266354 1349264248 /nfs/dbraw/zinc/26/42/48/1349264248.db2.gz UJCJTHWSVWLPBD-VQTJNVASSA-N 2 1 343.515 3.005 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCc2ccc3c(c2)C[N@@H+](CC(C)C)C3)CC[NH+]1C ZINC001054266354 1349264251 /nfs/dbraw/zinc/26/42/51/1349264251.db2.gz UJCJTHWSVWLPBD-VQTJNVASSA-N 2 1 343.515 3.005 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCc2ccc3c(c2)C[N@H+](CC(C)C)C3)CC[NH+]1C ZINC001054266354 1349264255 /nfs/dbraw/zinc/26/42/55/1349264255.db2.gz UJCJTHWSVWLPBD-VQTJNVASSA-N 2 1 343.515 3.005 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001080449497 1357623714 /nfs/dbraw/zinc/62/37/14/1357623714.db2.gz NIONFYFUKZGPPX-NLWGTHIKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080449497 1357623718 /nfs/dbraw/zinc/62/37/18/1357623718.db2.gz NIONFYFUKZGPPX-NLWGTHIKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080449497 1357623722 /nfs/dbraw/zinc/62/37/22/1357623722.db2.gz NIONFYFUKZGPPX-NLWGTHIKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@H+]1CCC1CC1 ZINC001071508587 1354734025 /nfs/dbraw/zinc/73/40/25/1354734025.db2.gz QHLLLAIBSYSYDL-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CC1CCCCCC1 ZINC001071796819 1354941882 /nfs/dbraw/zinc/94/18/82/1354941882.db2.gz YADSCSWLRDXNOZ-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CC1CCCCC1 ZINC001071821644 1354962361 /nfs/dbraw/zinc/96/23/61/1354962361.db2.gz ROVJYVUFIWPGJA-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CC1CCCCC1 ZINC001071821644 1354962364 /nfs/dbraw/zinc/96/23/64/1354962364.db2.gz ROVJYVUFIWPGJA-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CC1CCCCC1 ZINC001071821644 1354962368 /nfs/dbraw/zinc/96/23/68/1354962368.db2.gz ROVJYVUFIWPGJA-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CC1CCCCC1 ZINC001071871669 1354996417 /nfs/dbraw/zinc/99/64/17/1354996417.db2.gz JFWRNCLZCZNQSC-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[N@H+]1CCC1CCCCC1 ZINC001071996836 1355065714 /nfs/dbraw/zinc/06/57/14/1355065714.db2.gz VMKGPACHWPOVEX-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CC1CCC2(CC2)CC1 ZINC001072081452 1355119378 /nfs/dbraw/zinc/11/93/78/1355119378.db2.gz MAHONLKMUMLRIY-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@@H+]1C/C=C/Cl ZINC001072096409 1355127460 /nfs/dbraw/zinc/12/74/60/1355127460.db2.gz ZABLLVXCYZGFPG-QREDONOYSA-N 2 1 349.906 3.083 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@H+]1C/C=C/Cl ZINC001072096409 1355127461 /nfs/dbraw/zinc/12/74/61/1355127461.db2.gz ZABLLVXCYZGFPG-QREDONOYSA-N 2 1 349.906 3.083 20 0 EGADMP C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001072301114 1355228725 /nfs/dbraw/zinc/22/87/25/1355228725.db2.gz NMTCRUMCPUZMCF-PKOBYXMFSA-N 2 1 347.547 3.045 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001072735800 1355417127 /nfs/dbraw/zinc/41/71/27/1355417127.db2.gz RDMRAQYQHCRKDL-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)C2 ZINC001073033417 1355561637 /nfs/dbraw/zinc/56/16/37/1355561637.db2.gz LHLFOEZIWULXOD-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2 ZINC001073033417 1355561639 /nfs/dbraw/zinc/56/16/39/1355561639.db2.gz LHLFOEZIWULXOD-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2 ZINC001073033417 1355561641 /nfs/dbraw/zinc/56/16/41/1355561641.db2.gz LHLFOEZIWULXOD-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001073099715 1355596168 /nfs/dbraw/zinc/59/61/68/1355596168.db2.gz HOWUBPHUHXWIIN-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC=C(C)C)C2 ZINC001073116679 1355605259 /nfs/dbraw/zinc/60/52/59/1355605259.db2.gz YUEBRVNSVDGOEC-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC=C(C)C)C2 ZINC001073116679 1355605261 /nfs/dbraw/zinc/60/52/61/1355605261.db2.gz YUEBRVNSVDGOEC-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC=C(C)C)C2 ZINC001073116679 1355605265 /nfs/dbraw/zinc/60/52/65/1355605265.db2.gz YUEBRVNSVDGOEC-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH+](C)CC1CCCC1 ZINC001074014679 1356036536 /nfs/dbraw/zinc/03/65/36/1356036536.db2.gz HUFNFTZBGUVPNA-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC001074014679 1356036537 /nfs/dbraw/zinc/03/65/37/1356036537.db2.gz HUFNFTZBGUVPNA-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC001074014679 1356036538 /nfs/dbraw/zinc/03/65/38/1356036538.db2.gz HUFNFTZBGUVPNA-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001074086132 1356074577 /nfs/dbraw/zinc/07/45/77/1356074577.db2.gz OJSJUKIGOHKPBB-SOAGJPPSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)[C@@H]1C ZINC001074648538 1356221277 /nfs/dbraw/zinc/22/12/77/1356221277.db2.gz DDRSGWRIGQFGER-YTQUADARSA-N 2 1 347.547 3.019 20 0 EGADMP CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)CC1 ZINC001075452813 1356387413 /nfs/dbraw/zinc/38/74/13/1356387413.db2.gz QOYXPOBDSSYKKT-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC001075452813 1356387417 /nfs/dbraw/zinc/38/74/17/1356387417.db2.gz QOYXPOBDSSYKKT-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC001075452813 1356387423 /nfs/dbraw/zinc/38/74/23/1356387423.db2.gz QOYXPOBDSSYKKT-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881210 1356438192 /nfs/dbraw/zinc/43/81/92/1356438192.db2.gz IMGFOBQPRPZZLW-SLFFLAALSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001075881210 1356438194 /nfs/dbraw/zinc/43/81/94/1356438194.db2.gz IMGFOBQPRPZZLW-SLFFLAALSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001075881210 1356438196 /nfs/dbraw/zinc/43/81/96/1356438196.db2.gz IMGFOBQPRPZZLW-SLFFLAALSA-N 2 1 349.563 3.218 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1Cc1ccccc1 ZINC001099297831 1363737425 /nfs/dbraw/zinc/73/74/25/1363737425.db2.gz JGMXIISCOIHIEV-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccccc1 ZINC001099297831 1363737427 /nfs/dbraw/zinc/73/74/27/1363737427.db2.gz JGMXIISCOIHIEV-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccccc1 ZINC001099297831 1363737429 /nfs/dbraw/zinc/73/74/29/1363737429.db2.gz JGMXIISCOIHIEV-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1 ZINC001082521317 1358053521 /nfs/dbraw/zinc/05/35/21/1358053521.db2.gz ATXNOLJVKJBKKU-JFIYKMOQSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCC(C)(C)C)C[C@H]21 ZINC001084476240 1358222604 /nfs/dbraw/zinc/22/26/04/1358222604.db2.gz PHADDCOLGBXIAN-GUDVDZBRSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001084476240 1358222606 /nfs/dbraw/zinc/22/26/06/1358222606.db2.gz PHADDCOLGBXIAN-GUDVDZBRSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001084476240 1358222609 /nfs/dbraw/zinc/22/26/09/1358222609.db2.gz PHADDCOLGBXIAN-GUDVDZBRSA-N 2 1 349.563 3.076 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC=C(C)C)C[C@H]21 ZINC001084767750 1358304967 /nfs/dbraw/zinc/30/49/67/1358304967.db2.gz IAAZOTLKPSKVIA-VAMGGRTRSA-N 2 1 347.547 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC=C(C)C)C[C@H]21 ZINC001084767750 1358304971 /nfs/dbraw/zinc/30/49/71/1358304971.db2.gz IAAZOTLKPSKVIA-VAMGGRTRSA-N 2 1 347.547 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC=C(C)C)C[C@H]21 ZINC001084767750 1358304975 /nfs/dbraw/zinc/30/49/75/1358304975.db2.gz IAAZOTLKPSKVIA-VAMGGRTRSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001085196886 1358431614 /nfs/dbraw/zinc/43/16/14/1358431614.db2.gz RKOYWKSLTCFVSB-QRVBRYPASA-N 2 1 349.563 3.312 20 0 EGADMP CC(C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085308273 1358462167 /nfs/dbraw/zinc/46/21/67/1358462167.db2.gz KOCUWADQMJAWBE-QRVBRYPASA-N 2 1 335.536 3.209 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(C)C ZINC001085389560 1358486049 /nfs/dbraw/zinc/48/60/49/1358486049.db2.gz MYNFYNYAIQTAPA-QRVBRYPASA-N 2 1 337.552 3.314 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001183759567 1387345050 /nfs/dbraw/zinc/34/50/50/1387345050.db2.gz MKZQZASTQUZCBX-RKWFYDHTSA-N 2 1 343.515 3.011 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001183764974 1387345560 /nfs/dbraw/zinc/34/55/60/1387345560.db2.gz LBHXCIPZWIVHKD-ZWKOTPCHSA-N 2 1 345.531 3.285 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001085687093 1358687945 /nfs/dbraw/zinc/68/79/45/1358687945.db2.gz ICGCLECFZDFCRO-MOPGFXCFSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001085687093 1358687949 /nfs/dbraw/zinc/68/79/49/1358687949.db2.gz ICGCLECFZDFCRO-MOPGFXCFSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001085687093 1358687952 /nfs/dbraw/zinc/68/79/52/1358687952.db2.gz ICGCLECFZDFCRO-MOPGFXCFSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086084201 1358991724 /nfs/dbraw/zinc/99/17/24/1358991724.db2.gz HQWDMCXCBLACCI-ZCNNSNEGSA-N 2 1 347.547 3.234 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001086175493 1359015028 /nfs/dbraw/zinc/01/50/28/1359015028.db2.gz ZBQJHJSZDBOFJS-QRQLOZEOSA-N 2 1 349.563 3.029 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086198665 1359024928 /nfs/dbraw/zinc/02/49/28/1359024928.db2.gz ASVRKZPHANJVDX-FFGOWVMKSA-N 2 1 349.563 3.029 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001086497193 1359120674 /nfs/dbraw/zinc/12/06/74/1359120674.db2.gz AVBVZCKNAKJQFR-UFYCRDLUSA-N 2 1 347.547 3.234 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001086530969 1359133991 /nfs/dbraw/zinc/13/39/91/1359133991.db2.gz ZSSGFMLVTRQDEJ-UFYCRDLUSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942550 1359264386 /nfs/dbraw/zinc/26/43/86/1359264386.db2.gz VDQKHOBNIIEJNR-RBUKOAKNSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1CC ZINC001087593610 1359547520 /nfs/dbraw/zinc/54/75/20/1359547520.db2.gz MWMZCICQXKPQHJ-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H]1CC ZINC001087593610 1359547522 /nfs/dbraw/zinc/54/75/22/1359547522.db2.gz MWMZCICQXKPQHJ-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)[C@@H]1CC ZINC001087593610 1359547530 /nfs/dbraw/zinc/54/75/30/1359547530.db2.gz MWMZCICQXKPQHJ-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CC1CCCCCC1 ZINC001087625304 1359562075 /nfs/dbraw/zinc/56/20/75/1359562075.db2.gz BCTBAKKKEHJPSA-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CC1CCCCCC1 ZINC001087625304 1359562078 /nfs/dbraw/zinc/56/20/78/1359562078.db2.gz BCTBAKKKEHJPSA-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CC1CCCCCC1 ZINC001087625304 1359562079 /nfs/dbraw/zinc/56/20/79/1359562079.db2.gz BCTBAKKKEHJPSA-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CC1CCCCCC1 ZINC001087625304 1359562082 /nfs/dbraw/zinc/56/20/82/1359562082.db2.gz BCTBAKKKEHJPSA-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[N@H+]1CCC1CC1 ZINC001087634587 1359565480 /nfs/dbraw/zinc/56/54/80/1359565480.db2.gz IMZHFLIPRQHNCA-RBUKOAKNSA-N 2 1 340.471 3.026 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CC1CC(C)(C)C1 ZINC001087640494 1359566979 /nfs/dbraw/zinc/56/69/79/1359566979.db2.gz GJXVDDBXBPDGLE-ZWKOTPCHSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@H+]1CCCC1CCCC1 ZINC001087725517 1359612522 /nfs/dbraw/zinc/61/25/22/1359612522.db2.gz RYOBBSJVTLMEDE-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC[NH+]1CCCC1CCCC1 ZINC001087725517 1359612527 /nfs/dbraw/zinc/61/25/27/1359612527.db2.gz RYOBBSJVTLMEDE-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC[NH+]1CCCC1CCCC1 ZINC001087725517 1359612530 /nfs/dbraw/zinc/61/25/30/1359612530.db2.gz RYOBBSJVTLMEDE-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CC1CCCCCC1 ZINC001087726831 1359613816 /nfs/dbraw/zinc/61/38/16/1359613816.db2.gz UMGSFZCGRDRLFR-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CC1CCCCCC1 ZINC001087726831 1359613821 /nfs/dbraw/zinc/61/38/21/1359613821.db2.gz UMGSFZCGRDRLFR-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CC1CCCCCC1 ZINC001087726831 1359613824 /nfs/dbraw/zinc/61/38/24/1359613824.db2.gz UMGSFZCGRDRLFR-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC[N@H+]1CC1CCCC1 ZINC001087749282 1359626680 /nfs/dbraw/zinc/62/66/80/1359626680.db2.gz CTADRHXOMKMXKX-XUVXKRRUSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC[NH+]1CC1CCCC1 ZINC001087749282 1359626684 /nfs/dbraw/zinc/62/66/84/1359626684.db2.gz CTADRHXOMKMXKX-XUVXKRRUSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC[NH+]1CC1CCCC1 ZINC001087749282 1359626685 /nfs/dbraw/zinc/62/66/85/1359626685.db2.gz CTADRHXOMKMXKX-XUVXKRRUSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CCCC1CCC1 ZINC001087773890 1359637078 /nfs/dbraw/zinc/63/70/78/1359637078.db2.gz NNXNNGZHCIKJLV-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1CCC1CC1 ZINC001087838310 1359673034 /nfs/dbraw/zinc/67/30/34/1359673034.db2.gz AOUWYOZGBAVJHH-VQTJNVASSA-N 2 1 343.515 3.131 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(C)C)CC[C@@H]2C1 ZINC001088166774 1359778667 /nfs/dbraw/zinc/77/86/67/1359778667.db2.gz QSWQUYDTBQJTTI-AABGKKOBSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(C)C)CC[C@@H]2C1 ZINC001088166774 1359778671 /nfs/dbraw/zinc/77/86/71/1359778671.db2.gz QSWQUYDTBQJTTI-AABGKKOBSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(C)C)CC[C@@H]2C1 ZINC001088166774 1359778675 /nfs/dbraw/zinc/77/86/75/1359778675.db2.gz QSWQUYDTBQJTTI-AABGKKOBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001088327195 1359831284 /nfs/dbraw/zinc/83/12/84/1359831284.db2.gz HSIZVYKUEZEESY-MJGOQNOKSA-N 2 1 335.536 3.163 20 0 EGADMP CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001088367993 1359852300 /nfs/dbraw/zinc/85/23/00/1359852300.db2.gz YVDCXHTYGOTJOU-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001088383152 1359865294 /nfs/dbraw/zinc/86/52/94/1359865294.db2.gz WKSAVQQUAIHFPS-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCC3CCCC3)[C@@H]2C)C1 ZINC001088617056 1359992270 /nfs/dbraw/zinc/99/22/70/1359992270.db2.gz WKVZGUPPIQHOCE-HOJAQTOUSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CCC3CCCC3)[C@@H]2C)C1 ZINC001088617056 1359992278 /nfs/dbraw/zinc/99/22/78/1359992278.db2.gz WKVZGUPPIQHOCE-HOJAQTOUSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCC3CCCC3)[C@@H]2C)C1 ZINC001088617056 1359992289 /nfs/dbraw/zinc/99/22/89/1359992289.db2.gz WKVZGUPPIQHOCE-HOJAQTOUSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC1CCCCCC1 ZINC001088899035 1360098752 /nfs/dbraw/zinc/09/87/52/1360098752.db2.gz INDDENPBWGXHPQ-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CCC1CCCCCC1 ZINC001088980396 1360122947 /nfs/dbraw/zinc/12/29/47/1360122947.db2.gz GVSHBCUVMPRCFB-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CCC1CCCCCC1 ZINC001088980396 1360122949 /nfs/dbraw/zinc/12/29/49/1360122949.db2.gz GVSHBCUVMPRCFB-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCC1CCCCCC1 ZINC001088980396 1360122951 /nfs/dbraw/zinc/12/29/51/1360122951.db2.gz GVSHBCUVMPRCFB-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001089226330 1360267676 /nfs/dbraw/zinc/26/76/76/1360267676.db2.gz FTCVUXZGNYENEA-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCCC[C@H]2C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001089226330 1360267680 /nfs/dbraw/zinc/26/76/80/1360267680.db2.gz FTCVUXZGNYENEA-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001089226330 1360267682 /nfs/dbraw/zinc/26/76/82/1360267682.db2.gz FTCVUXZGNYENEA-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089380542 1360383247 /nfs/dbraw/zinc/38/32/47/1360383247.db2.gz FJZVLLPTZFZKQV-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001089380542 1360383249 /nfs/dbraw/zinc/38/32/49/1360383249.db2.gz FJZVLLPTZFZKQV-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1 ZINC001089380542 1360383253 /nfs/dbraw/zinc/38/32/53/1360383253.db2.gz FJZVLLPTZFZKQV-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC=C(C)C)CC(C)(C)C1 ZINC001089401938 1360401597 /nfs/dbraw/zinc/40/15/97/1360401597.db2.gz ZPPLCZXEFGIFOQ-RTBURBONSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC=C(C)C)CC(C)(C)C1 ZINC001089401938 1360401598 /nfs/dbraw/zinc/40/15/98/1360401598.db2.gz ZPPLCZXEFGIFOQ-RTBURBONSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC=C(C)C)CC(C)(C)C1 ZINC001089401938 1360401600 /nfs/dbraw/zinc/40/16/00/1360401600.db2.gz ZPPLCZXEFGIFOQ-RTBURBONSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421504 1360415593 /nfs/dbraw/zinc/41/55/93/1360415593.db2.gz VEELPPORJFHDRG-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089421504 1360415594 /nfs/dbraw/zinc/41/55/94/1360415594.db2.gz VEELPPORJFHDRG-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089421504 1360415595 /nfs/dbraw/zinc/41/55/95/1360415595.db2.gz VEELPPORJFHDRG-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089441599 1360431505 /nfs/dbraw/zinc/43/15/05/1360431505.db2.gz IVVGWIKQBCVSHR-SFHVURJKSA-N 2 1 348.535 3.235 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089441599 1360431509 /nfs/dbraw/zinc/43/15/09/1360431509.db2.gz IVVGWIKQBCVSHR-SFHVURJKSA-N 2 1 348.535 3.235 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](CCC)CC(C)(C)C2)C1 ZINC001089472208 1360455416 /nfs/dbraw/zinc/45/54/16/1360455416.db2.gz DPYKHMRLBJCINI-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](CCC)CC(C)(C)C2)C1 ZINC001089472208 1360455418 /nfs/dbraw/zinc/45/54/18/1360455418.db2.gz DPYKHMRLBJCINI-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCC)CC(C)(C)C2)C1 ZINC001089472208 1360455420 /nfs/dbraw/zinc/45/54/20/1360455420.db2.gz DPYKHMRLBJCINI-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089473309 1360456633 /nfs/dbraw/zinc/45/66/33/1360456633.db2.gz VIPDHLRMAPZZBM-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089473309 1360456636 /nfs/dbraw/zinc/45/66/36/1360456636.db2.gz VIPDHLRMAPZZBM-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089473309 1360456638 /nfs/dbraw/zinc/45/66/38/1360456638.db2.gz VIPDHLRMAPZZBM-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC=C(C)C)CC(C)(C)C1 ZINC001089564506 1360511395 /nfs/dbraw/zinc/51/13/95/1360511395.db2.gz ARKMNEZYTOKJHI-OALUTQOASA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC=C(C)C)CC(C)(C)C1 ZINC001089564506 1360511397 /nfs/dbraw/zinc/51/13/97/1360511397.db2.gz ARKMNEZYTOKJHI-OALUTQOASA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC=C(C)C)CC(C)(C)C1 ZINC001089564506 1360511400 /nfs/dbraw/zinc/51/14/00/1360511400.db2.gz ARKMNEZYTOKJHI-OALUTQOASA-N 2 1 349.563 3.434 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(C)C)CC(C)(C)C1 ZINC001089565390 1360512182 /nfs/dbraw/zinc/51/21/82/1360512182.db2.gz QNZUUQQMNNXSCM-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(C)C)CC(C)(C)C1 ZINC001089565390 1360512185 /nfs/dbraw/zinc/51/21/85/1360512185.db2.gz QNZUUQQMNNXSCM-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(C)C)CC(C)(C)C1 ZINC001089565390 1360512187 /nfs/dbraw/zinc/51/21/87/1360512187.db2.gz QNZUUQQMNNXSCM-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089639163 1360552245 /nfs/dbraw/zinc/55/22/45/1360552245.db2.gz OYBQBFNEIOGXBW-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001089639163 1360552247 /nfs/dbraw/zinc/55/22/47/1360552247.db2.gz OYBQBFNEIOGXBW-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001089639163 1360552249 /nfs/dbraw/zinc/55/22/49/1360552249.db2.gz OYBQBFNEIOGXBW-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001089639446 1360553565 /nfs/dbraw/zinc/55/35/65/1360553565.db2.gz WELYAVHLNKBLSP-MOPGFXCFSA-N 2 1 349.563 3.432 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089639446 1360553566 /nfs/dbraw/zinc/55/35/66/1360553566.db2.gz WELYAVHLNKBLSP-MOPGFXCFSA-N 2 1 349.563 3.432 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089639446 1360553569 /nfs/dbraw/zinc/55/35/69/1360553569.db2.gz WELYAVHLNKBLSP-MOPGFXCFSA-N 2 1 349.563 3.432 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC(C)C ZINC001089647050 1360559624 /nfs/dbraw/zinc/55/96/24/1360559624.db2.gz RTCYWPMFYRZXJZ-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(C)C ZINC001089647050 1360559626 /nfs/dbraw/zinc/55/96/26/1360559626.db2.gz RTCYWPMFYRZXJZ-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(C)C ZINC001089647050 1360559629 /nfs/dbraw/zinc/55/96/29/1360559629.db2.gz RTCYWPMFYRZXJZ-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089717787 1360619287 /nfs/dbraw/zinc/61/92/87/1360619287.db2.gz DVIZTBVEAYQZNC-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC ZINC001089721716 1360623914 /nfs/dbraw/zinc/62/39/14/1360623914.db2.gz JSPDXVDVIZFBRX-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC ZINC001089721716 1360623917 /nfs/dbraw/zinc/62/39/17/1360623917.db2.gz JSPDXVDVIZFBRX-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC ZINC001089721716 1360623921 /nfs/dbraw/zinc/62/39/21/1360623921.db2.gz JSPDXVDVIZFBRX-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@]2(CC[NH+](CCCC(C)(C)C)C2)C1 ZINC001323872845 1387485864 /nfs/dbraw/zinc/48/58/64/1387485864.db2.gz LEUUVNDTBRWVPI-FQEVSTJZSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@]2(CC[N@H+](CCCC(C)(C)C)C2)C1 ZINC001323872845 1387485865 /nfs/dbraw/zinc/48/58/65/1387485865.db2.gz LEUUVNDTBRWVPI-FQEVSTJZSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@]2(CC[N@@H+](CCCC(C)(C)C)C2)C1 ZINC001323872845 1387485868 /nfs/dbraw/zinc/48/58/68/1387485868.db2.gz LEUUVNDTBRWVPI-FQEVSTJZSA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001091267261 1361026925 /nfs/dbraw/zinc/02/69/25/1361026925.db2.gz FZCKMLXHYPGTCR-KVZIAJEVSA-N 2 1 349.563 3.170 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094414079 1361790499 /nfs/dbraw/zinc/79/04/99/1361790499.db2.gz SDJXCIPZCMJGER-QKNQBKEWSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094414079 1361790502 /nfs/dbraw/zinc/79/05/02/1361790502.db2.gz SDJXCIPZCMJGER-QKNQBKEWSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094414079 1361790506 /nfs/dbraw/zinc/79/05/06/1361790506.db2.gz SDJXCIPZCMJGER-QKNQBKEWSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001095532776 1362162949 /nfs/dbraw/zinc/16/29/49/1362162949.db2.gz PWUGDPVEPHCTSK-RDGPPVDQSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001095532776 1362162950 /nfs/dbraw/zinc/16/29/50/1362162950.db2.gz PWUGDPVEPHCTSK-RDGPPVDQSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001095532776 1362162953 /nfs/dbraw/zinc/16/29/53/1362162953.db2.gz PWUGDPVEPHCTSK-RDGPPVDQSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095533739 1362163826 /nfs/dbraw/zinc/16/38/26/1362163826.db2.gz LPLOJFYPPFKVRW-FUMNGEBKSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001095533739 1362163829 /nfs/dbraw/zinc/16/38/29/1362163829.db2.gz LPLOJFYPPFKVRW-FUMNGEBKSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001095533739 1362163831 /nfs/dbraw/zinc/16/38/31/1362163831.db2.gz LPLOJFYPPFKVRW-FUMNGEBKSA-N 2 1 347.547 3.161 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCCC2)C1 ZINC001096015326 1362334850 /nfs/dbraw/zinc/33/48/50/1362334850.db2.gz BSUMVEXILYDOES-LMCOJAPRSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCCC2)C1 ZINC001096015326 1362334854 /nfs/dbraw/zinc/33/48/54/1362334854.db2.gz BSUMVEXILYDOES-LMCOJAPRSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001096104415 1362384326 /nfs/dbraw/zinc/38/43/26/1362384326.db2.gz IJXGUTNLEISZDN-YDZRNGNQSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001096104415 1362384330 /nfs/dbraw/zinc/38/43/30/1362384330.db2.gz IJXGUTNLEISZDN-YDZRNGNQSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001096104415 1362384332 /nfs/dbraw/zinc/38/43/32/1362384332.db2.gz IJXGUTNLEISZDN-YDZRNGNQSA-N 2 1 349.563 3.407 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC1 ZINC001096313513 1362459754 /nfs/dbraw/zinc/45/97/54/1362459754.db2.gz IXKDOTGZHLNMLU-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1 ZINC001096313513 1362459757 /nfs/dbraw/zinc/45/97/57/1362459757.db2.gz IXKDOTGZHLNMLU-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001096313513 1362459758 /nfs/dbraw/zinc/45/97/58/1362459758.db2.gz IXKDOTGZHLNMLU-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001097063470 1362830110 /nfs/dbraw/zinc/83/01/10/1362830110.db2.gz MIJJNIFHXABHIP-YSTOQKLRSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001097063470 1362830114 /nfs/dbraw/zinc/83/01/14/1362830114.db2.gz MIJJNIFHXABHIP-YSTOQKLRSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001097063470 1362830121 /nfs/dbraw/zinc/83/01/21/1362830121.db2.gz MIJJNIFHXABHIP-YSTOQKLRSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001097639047 1363085871 /nfs/dbraw/zinc/08/58/71/1363085871.db2.gz NDKMFUNYFQNBRJ-KURKYZTESA-N 2 1 347.547 3.019 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CC1 ZINC001098191447 1363250466 /nfs/dbraw/zinc/25/04/66/1363250466.db2.gz GSZDOYSRXXTLEM-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1 ZINC001098191447 1363250470 /nfs/dbraw/zinc/25/04/70/1363250470.db2.gz GSZDOYSRXXTLEM-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001098191447 1363250474 /nfs/dbraw/zinc/25/04/74/1363250474.db2.gz GSZDOYSRXXTLEM-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001098464136 1363333548 /nfs/dbraw/zinc/33/35/48/1363333548.db2.gz NKTRIMBQXZIPKU-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001098464136 1363333552 /nfs/dbraw/zinc/33/35/52/1363333552.db2.gz NKTRIMBQXZIPKU-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001098464136 1363333554 /nfs/dbraw/zinc/33/35/54/1363333554.db2.gz NKTRIMBQXZIPKU-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001098836261 1363487487 /nfs/dbraw/zinc/48/74/87/1363487487.db2.gz AELCAFVKCQHFRX-LQWHRVPQSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001098836261 1363487489 /nfs/dbraw/zinc/48/74/89/1363487489.db2.gz AELCAFVKCQHFRX-LQWHRVPQSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001098836261 1363487493 /nfs/dbraw/zinc/48/74/93/1363487493.db2.gz AELCAFVKCQHFRX-LQWHRVPQSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185168599 1387631823 /nfs/dbraw/zinc/63/18/23/1387631823.db2.gz HTOZSXCJPDJZNH-MSOLQXFVSA-N 2 1 339.568 3.085 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001099116947 1363633253 /nfs/dbraw/zinc/63/32/53/1363633253.db2.gz XXLYCSXZVJDJMQ-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001099116947 1363633256 /nfs/dbraw/zinc/63/32/56/1363633256.db2.gz XXLYCSXZVJDJMQ-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCC1 ZINC001099116947 1363633258 /nfs/dbraw/zinc/63/32/58/1363633258.db2.gz XXLYCSXZVJDJMQ-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1ccc(C[N@@H+]2CC(C)(C)CC[C@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001099203415 1363690772 /nfs/dbraw/zinc/69/07/72/1363690772.db2.gz MPNPPJYXZIGECB-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCCCF)[NH+](C)C ZINC001099239814 1363708477 /nfs/dbraw/zinc/70/84/77/1363708477.db2.gz KWBLATAKUSIEHW-IRXDYDNUSA-N 2 1 343.531 3.073 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCCC1 ZINC001099275877 1363727314 /nfs/dbraw/zinc/72/73/14/1363727314.db2.gz KGQWDXDLXHJUGP-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099309250 1363742316 /nfs/dbraw/zinc/74/23/16/1363742316.db2.gz CAKNNNMVDPVFFC-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP C[C@@H](F)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310327 1363743236 /nfs/dbraw/zinc/74/32/36/1363743236.db2.gz JTVUMQQDRVMNSN-SJORKVTESA-N 2 1 343.531 3.073 20 0 EGADMP CC(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310411 1363743107 /nfs/dbraw/zinc/74/31/07/1363743107.db2.gz LGLAVIPVWQUTHJ-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001099320762 1363748209 /nfs/dbraw/zinc/74/82/09/1363748209.db2.gz MDHDHISGWXTCDC-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001099320762 1363748212 /nfs/dbraw/zinc/74/82/12/1363748212.db2.gz MDHDHISGWXTCDC-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCC1 ZINC001099320762 1363748216 /nfs/dbraw/zinc/74/82/16/1363748216.db2.gz MDHDHISGWXTCDC-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]cnc1C ZINC001099324360 1363750863 /nfs/dbraw/zinc/75/08/63/1363750863.db2.gz KWDUVXZANUELNX-QGZVFWFLSA-N 2 1 348.535 3.448 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCC(C)C ZINC001099340412 1363760431 /nfs/dbraw/zinc/76/04/31/1363760431.db2.gz SVSFQVZRQSBQKW-SFHVURJKSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCC(C)C ZINC001099340412 1363760433 /nfs/dbraw/zinc/76/04/33/1363760433.db2.gz SVSFQVZRQSBQKW-SFHVURJKSA-N 2 1 348.535 3.235 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099353803 1363768598 /nfs/dbraw/zinc/76/85/98/1363768598.db2.gz GMRFAIFTGCLHFV-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C(C)C)C1 ZINC001099525050 1363832069 /nfs/dbraw/zinc/83/20/69/1363832069.db2.gz OLPZBSBQQRGGGW-ZVDOUQERSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185235771 1387657823 /nfs/dbraw/zinc/65/78/23/1387657823.db2.gz RSPDIYKCFUOCEP-QZTJIDSGSA-N 2 1 348.535 3.271 20 0 EGADMP CC[C@H](C)C[NH2+]C1CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001100536100 1364150855 /nfs/dbraw/zinc/15/08/55/1364150855.db2.gz KCGGLNLVAARFFY-AOCRQIFASA-N 2 1 337.552 3.172 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC1CC([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001100758063 1364248332 /nfs/dbraw/zinc/24/83/32/1364248332.db2.gz VIQYDKRCSOLUPR-IVMQYODDSA-N 2 1 348.535 3.138 20 0 EGADMP CCCCCC[NH2+]C1CC(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001100758035 1364248443 /nfs/dbraw/zinc/24/84/43/1364248443.db2.gz TYKAKHGXXPKBBO-UHFFFAOYSA-N 2 1 334.508 3.036 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001101036024 1364383312 /nfs/dbraw/zinc/38/33/12/1364383312.db2.gz GZVRGIDMMYXRRY-SBDAGSLNSA-N 2 1 335.536 3.092 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101487303 1364579476 /nfs/dbraw/zinc/57/94/76/1364579476.db2.gz XIRWSJNSKKZRAL-CTNGQTDRSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]C(C)C)CC1 ZINC001101546530 1364610068 /nfs/dbraw/zinc/61/00/68/1364610068.db2.gz FSNJFCDYRFLYKC-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001101548739 1364612485 /nfs/dbraw/zinc/61/24/85/1364612485.db2.gz GZBYZJPGCJTXKH-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001101550407 1364613511 /nfs/dbraw/zinc/61/35/11/1364613511.db2.gz HKACKCCZBISQDY-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CCC2)CC1 ZINC001101551572 1364614639 /nfs/dbraw/zinc/61/46/39/1364614639.db2.gz QRGRZTYIEHDRBD-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001101573988 1364628315 /nfs/dbraw/zinc/62/83/15/1364628315.db2.gz MMLNNRCCJROOOD-GOSISDBHSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC(C(C)(C)C[NH2+]CC)CC1 ZINC001101582193 1364634937 /nfs/dbraw/zinc/63/49/37/1364634937.db2.gz DAQMUTMJNWFQCT-UHFFFAOYSA-N 2 1 339.568 3.373 20 0 EGADMP CC[C@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001101595989 1364646715 /nfs/dbraw/zinc/64/67/15/1364646715.db2.gz DSFFOBPRXHUPRZ-KRWDZBQOSA-N 2 1 339.568 3.227 20 0 EGADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102059514 1364827833 /nfs/dbraw/zinc/82/78/33/1364827833.db2.gz SLTFXBUFCNDDBL-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001102059514 1364827835 /nfs/dbraw/zinc/82/78/35/1364827835.db2.gz SLTFXBUFCNDDBL-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001102059514 1364827838 /nfs/dbraw/zinc/82/78/38/1364827838.db2.gz SLTFXBUFCNDDBL-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC001102190666 1364924040 /nfs/dbraw/zinc/92/40/40/1364924040.db2.gz DVVKOGCQRBIWOI-LXORQPIJSA-N 2 1 349.563 3.291 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)c2cccc(C)c2)C[C@H]1C ZINC001102475278 1365075627 /nfs/dbraw/zinc/07/56/27/1365075627.db2.gz GZYNJMLNSNMNGC-QWFCFKBJSA-N 2 1 345.531 3.082 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398562 1365535568 /nfs/dbraw/zinc/53/55/68/1365535568.db2.gz YMRFWPXPZOOLAH-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103483647 1365590232 /nfs/dbraw/zinc/59/02/32/1365590232.db2.gz KLFHJQMYANZFJZ-QZTJIDSGSA-N 2 1 348.535 3.127 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103483647 1365590236 /nfs/dbraw/zinc/59/02/36/1365590236.db2.gz KLFHJQMYANZFJZ-QZTJIDSGSA-N 2 1 348.535 3.127 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103655167 1365705743 /nfs/dbraw/zinc/70/57/43/1365705743.db2.gz SPVSMEYDCDUWKD-LXORQPIJSA-N 2 1 337.552 3.149 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103655823 1365706308 /nfs/dbraw/zinc/70/63/08/1365706308.db2.gz DDRRDHOBDZNDJO-RTBURBONSA-N 2 1 339.568 3.373 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001103663767 1365711987 /nfs/dbraw/zinc/71/19/87/1365711987.db2.gz SXNVQEYCTKANGC-TYFAACHXSA-N 2 1 337.552 3.149 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001103663767 1365711988 /nfs/dbraw/zinc/71/19/88/1365711988.db2.gz SXNVQEYCTKANGC-TYFAACHXSA-N 2 1 337.552 3.149 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001103663767 1365711992 /nfs/dbraw/zinc/71/19/92/1365711992.db2.gz SXNVQEYCTKANGC-TYFAACHXSA-N 2 1 337.552 3.149 20 0 EGADMP CC(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001103758121 1365767616 /nfs/dbraw/zinc/76/76/16/1365767616.db2.gz CBHXZRDMCXBHGM-MISYRCLQSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001103758121 1365767617 /nfs/dbraw/zinc/76/76/17/1365767617.db2.gz CBHXZRDMCXBHGM-MISYRCLQSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001104452307 1366033933 /nfs/dbraw/zinc/03/39/33/1366033933.db2.gz IHPVUBXJZRZBKM-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001104676739 1366127286 /nfs/dbraw/zinc/12/72/86/1366127286.db2.gz WAEFJCFVYCZOFA-CEXWTWQISA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001104932644 1366229507 /nfs/dbraw/zinc/22/95/07/1366229507.db2.gz FMDYWXFMUWTVON-RTBURBONSA-N 2 1 339.568 3.373 20 0 EGADMP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CCC[C@@H]2C)CCC1 ZINC001105563041 1366532422 /nfs/dbraw/zinc/53/24/22/1366532422.db2.gz BKYTZRTYYSSPDQ-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105577310 1366541572 /nfs/dbraw/zinc/54/15/72/1366541572.db2.gz UFHVLPZLUHRABI-RTBURBONSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001106479937 1366708002 /nfs/dbraw/zinc/70/80/02/1366708002.db2.gz YHNPORPIFJZBLQ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106571221 1366740574 /nfs/dbraw/zinc/74/05/74/1366740574.db2.gz PYGXMKCGFMGUGG-IVCWSTDESA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)(C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2)[NH+]1CCCCC1 ZINC001107409211 1366955389 /nfs/dbraw/zinc/95/53/89/1366955389.db2.gz LSOIKQKCEBFFDL-WIYYLYMNSA-N 2 1 347.547 3.022 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107439089 1366963828 /nfs/dbraw/zinc/96/38/28/1366963828.db2.gz RCYFMVYAPIKWDO-JPKVPHHRSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107439089 1366963831 /nfs/dbraw/zinc/96/38/31/1366963831.db2.gz RCYFMVYAPIKWDO-JPKVPHHRSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107439089 1366963834 /nfs/dbraw/zinc/96/38/34/1366963834.db2.gz RCYFMVYAPIKWDO-JPKVPHHRSA-N 2 1 347.547 3.188 20 0 EGADMP CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C3CCCCC3)CCC[C@@H]12 ZINC001107482954 1366984860 /nfs/dbraw/zinc/98/48/60/1366984860.db2.gz PIJPJBGOSHLIRH-UYAOXDASSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)C3CCCCC3)CCC[C@@H]12 ZINC001107482954 1366984864 /nfs/dbraw/zinc/98/48/64/1366984864.db2.gz PIJPJBGOSHLIRH-UYAOXDASSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CC[C@@]2(CNC(=O)CC[N@@H+](C)C3CCCCC3)CCC[C@@H]12 ZINC001107482954 1366984868 /nfs/dbraw/zinc/98/48/68/1366984868.db2.gz PIJPJBGOSHLIRH-UYAOXDASSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(C)C)CC2)[NH+](CC)CC ZINC001107544116 1367035720 /nfs/dbraw/zinc/03/57/20/1367035720.db2.gz MTENLBFUBLUPAV-NLWGTHIKSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001109308180 1367048241 /nfs/dbraw/zinc/04/82/41/1367048241.db2.gz OQDLLRFGHSFOLM-MHORFTMASA-N 2 1 346.519 3.308 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001109308180 1367048246 /nfs/dbraw/zinc/04/82/46/1367048246.db2.gz OQDLLRFGHSFOLM-MHORFTMASA-N 2 1 346.519 3.308 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107614020 1367073175 /nfs/dbraw/zinc/07/31/75/1367073175.db2.gz LKCLXCRGWDBVSA-UYAOXDASSA-N 2 1 335.536 3.045 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109419300 1367113284 /nfs/dbraw/zinc/11/32/84/1367113284.db2.gz NGAXGUWBEPPGHJ-DIYYGHKSSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001109419300 1367113290 /nfs/dbraw/zinc/11/32/90/1367113290.db2.gz NGAXGUWBEPPGHJ-DIYYGHKSSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001109419300 1367113293 /nfs/dbraw/zinc/11/32/93/1367113293.db2.gz NGAXGUWBEPPGHJ-DIYYGHKSSA-N 2 1 347.547 3.329 20 0 EGADMP CC1CCC(C[N@H+]2C[C@@H]3CCN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)CC1 ZINC001189871044 1367121405 /nfs/dbraw/zinc/12/14/05/1367121405.db2.gz JBXGOJMDZBGOGF-GHBBCFCZSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001109473711 1367145361 /nfs/dbraw/zinc/14/53/61/1367145361.db2.gz AYYBKZCNQCAEET-YDZRNGNQSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001109473711 1367145364 /nfs/dbraw/zinc/14/53/64/1367145364.db2.gz AYYBKZCNQCAEET-YDZRNGNQSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001109473711 1367145365 /nfs/dbraw/zinc/14/53/65/1367145365.db2.gz AYYBKZCNQCAEET-YDZRNGNQSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001109473750 1367145721 /nfs/dbraw/zinc/14/57/21/1367145721.db2.gz DBROXUCZORGKKW-FUMNGEBKSA-N 2 1 349.563 3.409 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001109473750 1367145727 /nfs/dbraw/zinc/14/57/27/1367145727.db2.gz DBROXUCZORGKKW-FUMNGEBKSA-N 2 1 349.563 3.409 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001109473750 1367145733 /nfs/dbraw/zinc/14/57/33/1367145733.db2.gz DBROXUCZORGKKW-FUMNGEBKSA-N 2 1 349.563 3.409 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190084904 1367169847 /nfs/dbraw/zinc/16/98/47/1367169847.db2.gz TYXVCSMUFKQIAN-YZBXUTEPSA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190084904 1367169851 /nfs/dbraw/zinc/16/98/51/1367169851.db2.gz TYXVCSMUFKQIAN-YZBXUTEPSA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084904 1367169856 /nfs/dbraw/zinc/16/98/56/1367169856.db2.gz TYXVCSMUFKQIAN-YZBXUTEPSA-N 2 1 335.536 3.138 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CC2)CCCCC1 ZINC001109560492 1367198241 /nfs/dbraw/zinc/19/82/41/1367198241.db2.gz CJVQHYFDBXDTAA-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001109635409 1367255607 /nfs/dbraw/zinc/25/56/07/1367255607.db2.gz BDSMAYKUYQPUOL-YRPNKDGESA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001109635409 1367255610 /nfs/dbraw/zinc/25/56/10/1367255610.db2.gz BDSMAYKUYQPUOL-YRPNKDGESA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001109635409 1367255616 /nfs/dbraw/zinc/25/56/16/1367255616.db2.gz BDSMAYKUYQPUOL-YRPNKDGESA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001186083233 1387862769 /nfs/dbraw/zinc/86/27/69/1387862769.db2.gz WHWBYUUSPHXLFL-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654802 1367318870 /nfs/dbraw/zinc/31/88/70/1367318870.db2.gz LOELZFSLAPKVEW-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190654802 1367318875 /nfs/dbraw/zinc/31/88/75/1367318875.db2.gz LOELZFSLAPKVEW-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190654802 1367318878 /nfs/dbraw/zinc/31/88/78/1367318878.db2.gz LOELZFSLAPKVEW-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001109796815 1367327729 /nfs/dbraw/zinc/32/77/29/1367327729.db2.gz GOKZPCBWIXIVLW-YTALSMMISA-N 2 1 347.547 3.329 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798789 1367328474 /nfs/dbraw/zinc/32/84/74/1367328474.db2.gz SBHCMLFPGQDSQQ-XWSJACJDSA-N 2 1 335.536 3.161 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001109798789 1367328478 /nfs/dbraw/zinc/32/84/78/1367328478.db2.gz SBHCMLFPGQDSQQ-XWSJACJDSA-N 2 1 335.536 3.161 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001109798789 1367328484 /nfs/dbraw/zinc/32/84/84/1367328484.db2.gz SBHCMLFPGQDSQQ-XWSJACJDSA-N 2 1 335.536 3.161 20 0 EGADMP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109844769 1367354743 /nfs/dbraw/zinc/35/47/43/1367354743.db2.gz HBIZBOLTZKQXIY-LRNBNCDBSA-N 2 1 344.503 3.050 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109844769 1367354745 /nfs/dbraw/zinc/35/47/45/1367354745.db2.gz HBIZBOLTZKQXIY-LRNBNCDBSA-N 2 1 344.503 3.050 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860227 1367364337 /nfs/dbraw/zinc/36/43/37/1367364337.db2.gz RDDVVULRSWWCEH-RVMWWGBKSA-N 2 1 349.563 3.431 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001190996215 1367397678 /nfs/dbraw/zinc/39/76/78/1367397678.db2.gz ATPNVOFIXBKAHP-CRAIPNDOSA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001190996215 1367397679 /nfs/dbraw/zinc/39/76/79/1367397679.db2.gz ATPNVOFIXBKAHP-CRAIPNDOSA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001190996215 1367397682 /nfs/dbraw/zinc/39/76/82/1367397682.db2.gz ATPNVOFIXBKAHP-CRAIPNDOSA-N 2 1 349.494 3.150 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(CCCc2c[nH+]cn2C)CC1 ZINC001191244873 1367457529 /nfs/dbraw/zinc/45/75/29/1367457529.db2.gz OHTBGFONOPNRHM-FQEVSTJZSA-N 2 1 326.488 3.122 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191351587 1367481817 /nfs/dbraw/zinc/48/18/17/1367481817.db2.gz JGOSKZVMGQMICN-QFBILLFUSA-N 2 1 342.487 3.163 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191352059 1367482971 /nfs/dbraw/zinc/48/29/71/1367482971.db2.gz PMZLSMVLIKRCRL-SFFCAUCYSA-N 2 1 340.471 3.227 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CC[C@H]([N@@H+](C)CC3CCCCC3)C2)CCCC1 ZINC001191561704 1367528796 /nfs/dbraw/zinc/52/87/96/1367528796.db2.gz RWLNZLGRQIMGEB-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191561696 1367528840 /nfs/dbraw/zinc/52/88/40/1367528840.db2.gz RPFRKNBSHDYQLB-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001108704513 1367543793 /nfs/dbraw/zinc/54/37/93/1367543793.db2.gz NVNUDJGVMLXHDT-SCTDSRPQSA-N 2 1 335.536 3.020 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001108717152 1367553875 /nfs/dbraw/zinc/55/38/75/1367553875.db2.gz BQGLMMWDCAPXSB-ACBYSDGPSA-N 2 1 349.563 3.432 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001108765817 1367581610 /nfs/dbraw/zinc/58/16/10/1367581610.db2.gz SYFWTTDMVHRZBX-GPXQEHKYSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)CC[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001192158280 1367704180 /nfs/dbraw/zinc/70/41/80/1367704180.db2.gz LDLRLSQPAPROFZ-PMACEKPBSA-N 2 1 345.531 3.306 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192324513 1367752600 /nfs/dbraw/zinc/75/26/00/1367752600.db2.gz GSVJCQABTUDGDM-VVZAMHAXSA-N 2 1 337.552 3.386 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192656949 1367844104 /nfs/dbraw/zinc/84/41/04/1367844104.db2.gz VYCMVUUALMZVGK-MOPGFXCFSA-N 2 1 337.552 3.364 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCC2)C1 ZINC001192671600 1367845819 /nfs/dbraw/zinc/84/58/19/1367845819.db2.gz OEJKIQLPHBQAFO-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1 ZINC001192671600 1367845823 /nfs/dbraw/zinc/84/58/23/1367845823.db2.gz OEJKIQLPHBQAFO-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001192671600 1367845827 /nfs/dbraw/zinc/84/58/27/1367845827.db2.gz OEJKIQLPHBQAFO-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192846813 1367886392 /nfs/dbraw/zinc/88/63/92/1367886392.db2.gz PSIOXUCJVQRSCO-PXDRNWIDSA-N 2 1 343.515 3.251 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001110765709 1367967503 /nfs/dbraw/zinc/96/75/03/1367967503.db2.gz MTAWPKJSNTYACR-IBMHEYTHSA-N 2 1 345.531 3.083 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001110765755 1367968029 /nfs/dbraw/zinc/96/80/29/1367968029.db2.gz OKEOPFJBPLBJOR-MANSERQUSA-N 2 1 347.547 3.019 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@H]([NH+](C)CCC2CC2)C1)c1ccccc1 ZINC001193424562 1368027523 /nfs/dbraw/zinc/02/75/23/1368027523.db2.gz NEOYXNKMDTWWML-VQTJNVASSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCC2CC2)C1)c1ccccc1 ZINC001193424562 1368027527 /nfs/dbraw/zinc/02/75/27/1368027527.db2.gz NEOYXNKMDTWWML-VQTJNVASSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCC2CC2)C1)c1ccccc1 ZINC001193424562 1368027532 /nfs/dbraw/zinc/02/75/32/1368027532.db2.gz NEOYXNKMDTWWML-VQTJNVASSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857868 1368038183 /nfs/dbraw/zinc/03/81/83/1368038183.db2.gz URDLVOLPYTZIOC-MANSERQUSA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCC2)CCCC1 ZINC001110860416 1368040338 /nfs/dbraw/zinc/04/03/38/1368040338.db2.gz ZPKZKIXSNNPFQY-QRVBRYPASA-N 2 1 347.547 3.163 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1)CC(C)(C)C ZINC001111030875 1368146463 /nfs/dbraw/zinc/14/64/63/1368146463.db2.gz IPEMXKMREMQUBX-QRVBRYPASA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1)CC(C)(C)C ZINC001111030875 1368146467 /nfs/dbraw/zinc/14/64/67/1368146467.db2.gz IPEMXKMREMQUBX-QRVBRYPASA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1)CC(C)(C)C ZINC001111030875 1368146471 /nfs/dbraw/zinc/14/64/71/1368146471.db2.gz IPEMXKMREMQUBX-QRVBRYPASA-N 2 1 349.563 3.266 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CC1 ZINC001111160409 1368170029 /nfs/dbraw/zinc/17/00/29/1368170029.db2.gz VYYPBQIGUIDORD-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1 ZINC001111160409 1368170033 /nfs/dbraw/zinc/17/00/33/1368170033.db2.gz VYYPBQIGUIDORD-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001111160409 1368170036 /nfs/dbraw/zinc/17/00/36/1368170036.db2.gz VYYPBQIGUIDORD-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+](CCC1CCCC1)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081929 1368179736 /nfs/dbraw/zinc/17/97/36/1368179736.db2.gz ZFBQEIMAZIGSNQ-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111218577 1368197033 /nfs/dbraw/zinc/19/70/33/1368197033.db2.gz PEHABZPWLMHZEP-AQNXPRMDSA-N 2 1 349.563 3.409 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194274181 1368221403 /nfs/dbraw/zinc/22/14/03/1368221403.db2.gz DIIXCWIIPKGFMX-NHQAVIFJSA-N 2 1 349.563 3.386 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194274443 1368221667 /nfs/dbraw/zinc/22/16/67/1368221667.db2.gz HULUXNHTDDTRSH-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1 ZINC001111268944 1368235889 /nfs/dbraw/zinc/23/58/89/1368235889.db2.gz JPWWERYSIYTGQY-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494289 1368320894 /nfs/dbraw/zinc/32/08/94/1368320894.db2.gz IQQFECNABYLACO-FSIHAKKGSA-N 2 1 347.547 3.330 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001186403926 1387934646 /nfs/dbraw/zinc/93/46/46/1387934646.db2.gz CDCPEEQCEKBGIE-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821111 1368482435 /nfs/dbraw/zinc/48/24/35/1368482435.db2.gz LFRUXNCOBJSTII-PXNSSMCTSA-N 2 1 335.536 3.022 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001195845783 1368502097 /nfs/dbraw/zinc/50/20/97/1368502097.db2.gz NOVBDJPPUQALNL-AATRIKPKSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001111859979 1368510647 /nfs/dbraw/zinc/51/06/47/1368510647.db2.gz JSRYDWWNWJNTAW-SFMFPFJOSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCC1)C2)[NH+](CC)CC ZINC001111869104 1368516200 /nfs/dbraw/zinc/51/62/00/1368516200.db2.gz XWLZMHZVFBENMG-ZVDOUQERSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112004292 1368607506 /nfs/dbraw/zinc/60/75/06/1368607506.db2.gz UXEDGBBFKUYACK-AJEASFTHSA-N 2 1 347.547 3.189 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@@H+](CCC1CC1)C2 ZINC001112020476 1368622643 /nfs/dbraw/zinc/62/26/43/1368622643.db2.gz JAXSJCRDDCURHI-FPOVZHCZSA-N 2 1 347.547 3.023 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CCC[N@@H+](CC3=CCCCC3)CC2)CCCC1 ZINC001196641959 1368654545 /nfs/dbraw/zinc/65/45/45/1368654545.db2.gz VSHWPJWWOCJFTI-UHFFFAOYSA-N 2 1 347.547 3.286 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001197125886 1368750162 /nfs/dbraw/zinc/75/01/62/1368750162.db2.gz NYJIGAFWVKJLBF-VGOKWCNXSA-N 2 1 344.503 3.110 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)C)C1 ZINC001112382203 1368810201 /nfs/dbraw/zinc/81/02/01/1368810201.db2.gz KODSHVLELYUQQG-ZJOUEHCJSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1nccn1CCCC(=O)N1CCC[N@H+](C[C@@H](C)CC(C)C)CC1 ZINC001197454265 1368818114 /nfs/dbraw/zinc/81/81/14/1368818114.db2.gz PUCBYTVUMSCQCW-SFHVURJKSA-N 2 1 348.535 3.188 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[N@@H+](C[C@@H](C)CC(C)C)CC1 ZINC001197454265 1368818117 /nfs/dbraw/zinc/81/81/17/1368818117.db2.gz PUCBYTVUMSCQCW-SFHVURJKSA-N 2 1 348.535 3.188 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[N@H+](C[C@@H](C)CC(C)C)CC1 ZINC001197454265 1368818119 /nfs/dbraw/zinc/81/81/19/1368818119.db2.gz PUCBYTVUMSCQCW-SFHVURJKSA-N 2 1 348.535 3.188 20 0 EGADMP CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001112396991 1368822526 /nfs/dbraw/zinc/82/25/26/1368822526.db2.gz NPVKHOYHKWECDM-DSKINZAPSA-N 2 1 347.547 3.022 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197485836 1368824277 /nfs/dbraw/zinc/82/42/77/1368824277.db2.gz YIIFZUKGHVOQRF-ZBTAVZRMSA-N 2 1 337.552 3.243 20 0 EGADMP CCCCC[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197809629 1368903151 /nfs/dbraw/zinc/90/31/51/1368903151.db2.gz FAMDKEAFCUNROO-HXUWFJFHSA-N 2 1 345.531 3.404 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197809629 1368903154 /nfs/dbraw/zinc/90/31/54/1368903154.db2.gz FAMDKEAFCUNROO-HXUWFJFHSA-N 2 1 345.531 3.404 20 0 EGADMP CCCCC[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001197809629 1368903156 /nfs/dbraw/zinc/90/31/56/1368903156.db2.gz FAMDKEAFCUNROO-HXUWFJFHSA-N 2 1 345.531 3.404 20 0 EGADMP CCCCC[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001197809629 1368903160 /nfs/dbraw/zinc/90/31/60/1368903160.db2.gz FAMDKEAFCUNROO-HXUWFJFHSA-N 2 1 345.531 3.404 20 0 EGADMP CCC(CC)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001112529550 1368916318 /nfs/dbraw/zinc/91/63/18/1368916318.db2.gz FOIMLAOAEPAMTB-LMNJBCLMSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197886350 1368919586 /nfs/dbraw/zinc/91/95/86/1368919586.db2.gz QBWHUGUGGWVERW-IBGZPJMESA-N 2 1 345.531 3.322 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001197898483 1368921671 /nfs/dbraw/zinc/92/16/71/1368921671.db2.gz DVNFGQKNNGKJRW-IBGZPJMESA-N 2 1 345.531 3.322 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001197898483 1368921673 /nfs/dbraw/zinc/92/16/73/1368921673.db2.gz DVNFGQKNNGKJRW-IBGZPJMESA-N 2 1 345.531 3.322 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@H+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001197898483 1368921676 /nfs/dbraw/zinc/92/16/76/1368921676.db2.gz DVNFGQKNNGKJRW-IBGZPJMESA-N 2 1 345.531 3.322 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+](CCC2=CCCCC2)CC1 ZINC001197907240 1368922838 /nfs/dbraw/zinc/92/28/38/1368922838.db2.gz AHEBEPHMPWKOKJ-UHFFFAOYSA-N 2 1 335.536 3.143 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC001197907240 1368922839 /nfs/dbraw/zinc/92/28/39/1368922839.db2.gz AHEBEPHMPWKOKJ-UHFFFAOYSA-N 2 1 335.536 3.143 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC001197907240 1368922844 /nfs/dbraw/zinc/92/28/44/1368922844.db2.gz AHEBEPHMPWKOKJ-UHFFFAOYSA-N 2 1 335.536 3.143 20 0 EGADMP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)CC)C2 ZINC001112557610 1368927209 /nfs/dbraw/zinc/92/72/09/1368927209.db2.gz PHYVJZDKXUKAQO-ICSRJNTNSA-N 2 1 337.552 3.127 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198135878 1368965828 /nfs/dbraw/zinc/96/58/28/1368965828.db2.gz BQXDBERPMNPMBX-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC001186604198 1387982863 /nfs/dbraw/zinc/98/28/63/1387982863.db2.gz AJIYCPAAPXMNJD-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC001186604752 1387984070 /nfs/dbraw/zinc/98/40/70/1387984070.db2.gz HTWIJVOUMAZNDM-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CCC(CC)[C@H](CN[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001199170628 1369187356 /nfs/dbraw/zinc/18/73/56/1369187356.db2.gz KQPSKYLOASZSHK-WMQCIHAUSA-N 2 1 331.548 3.463 20 0 EGADMP CCC(CC)[C@H](CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001199170628 1369187360 /nfs/dbraw/zinc/18/73/60/1369187360.db2.gz KQPSKYLOASZSHK-WMQCIHAUSA-N 2 1 331.548 3.463 20 0 EGADMP CC(C)CCC[NH+]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001113156453 1369233049 /nfs/dbraw/zinc/23/30/49/1369233049.db2.gz GHYGSHCKRQDJGR-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001113439796 1369429651 /nfs/dbraw/zinc/42/96/51/1369429651.db2.gz VIPKETNMKQPLSG-AQNXPRMDSA-N 2 1 349.563 3.079 20 0 EGADMP O=C(NC1CC1)c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC001200923507 1369450339 /nfs/dbraw/zinc/45/03/39/1369450339.db2.gz RJGPHTZXQRLHSJ-UHFFFAOYSA-N 2 1 341.499 3.075 20 0 EGADMP CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001201398772 1369536973 /nfs/dbraw/zinc/53/69/73/1369536973.db2.gz ARZLPQRLQMHLHT-IBGZPJMESA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001201399083 1369537011 /nfs/dbraw/zinc/53/70/11/1369537011.db2.gz GQPPDTDNKVISKR-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccc(F)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC001201633376 1369593475 /nfs/dbraw/zinc/59/34/75/1369593475.db2.gz IXZKCZFJACSZNF-FQEVSTJZSA-N 2 1 342.458 3.381 20 0 EGADMP CSCCC[NH+]1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001201681025 1369604575 /nfs/dbraw/zinc/60/45/75/1369604575.db2.gz QAOGYYOKHUHGPH-UHFFFAOYSA-N 2 1 337.533 3.475 20 0 EGADMP CCCCC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001201727260 1369610972 /nfs/dbraw/zinc/61/09/72/1369610972.db2.gz PIVBGJVJZXHUPA-LJQANCHMSA-N 2 1 331.504 3.327 20 0 EGADMP FC(F)(F)CCC[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001202395058 1369759518 /nfs/dbraw/zinc/75/95/18/1369759518.db2.gz LZXKHMYEDXMWFM-UHFFFAOYSA-N 2 1 346.393 3.289 20 0 EGADMP FC(F)(F)CCC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001202395058 1369759520 /nfs/dbraw/zinc/75/95/20/1369759520.db2.gz LZXKHMYEDXMWFM-UHFFFAOYSA-N 2 1 346.393 3.289 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001202538959 1369803164 /nfs/dbraw/zinc/80/31/64/1369803164.db2.gz GHCFFUYHYRFABI-UHFFFAOYSA-N 2 1 325.541 3.125 20 0 EGADMP Cc1nn(C)c(C)c1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001203057146 1369968981 /nfs/dbraw/zinc/96/89/81/1369968981.db2.gz LFPZMIVRGNKVFU-UHFFFAOYSA-N 2 1 342.487 3.118 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203103247 1369984262 /nfs/dbraw/zinc/98/42/62/1369984262.db2.gz KOKOAPFAIFSXLU-MSOLQXFVSA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccc(C(C)C)cc2)CC1 ZINC001203203174 1370023367 /nfs/dbraw/zinc/02/33/67/1370023367.db2.gz HXTWVKBYBBNFLV-UHFFFAOYSA-N 2 1 345.531 3.232 20 0 EGADMP CC[C@H]([NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1)c1ccccc1 ZINC001203215816 1370028892 /nfs/dbraw/zinc/02/88/92/1370028892.db2.gz ZOOBZYCHIMELGT-IBGZPJMESA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203231440 1370033924 /nfs/dbraw/zinc/03/39/24/1370033924.db2.gz SKHMJEJGPKCQMX-RBUKOAKNSA-N 2 1 349.563 3.314 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](C)CC)CC1 ZINC001203283658 1370061774 /nfs/dbraw/zinc/06/17/74/1370061774.db2.gz UWPDQRWEZIXVGI-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001203431418 1370123609 /nfs/dbraw/zinc/12/36/09/1370123609.db2.gz GWMSUECMJKJBKA-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001203459431 1370133685 /nfs/dbraw/zinc/13/36/85/1370133685.db2.gz DWPTXJDFDKROMR-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(C)C)C12CCC2 ZINC001203506314 1370148333 /nfs/dbraw/zinc/14/83/33/1370148333.db2.gz IPSRJVGPUZLCRT-ZWKOTPCHSA-N 2 1 337.552 3.172 20 0 EGADMP Oc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001203860901 1370293069 /nfs/dbraw/zinc/29/30/69/1370293069.db2.gz VOZYUNSICIQPGS-UHFFFAOYSA-N 2 1 337.467 3.275 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccncc3)C[C@H]21 ZINC001204082738 1370369863 /nfs/dbraw/zinc/36/98/63/1370369863.db2.gz PDFIRUCIRXLUTN-HMXCVIKNSA-N 2 1 336.483 3.209 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccncc3)C[C@H]21 ZINC001204082738 1370369869 /nfs/dbraw/zinc/36/98/69/1370369869.db2.gz PDFIRUCIRXLUTN-HMXCVIKNSA-N 2 1 336.483 3.209 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccncc3)C[C@H]21 ZINC001204082738 1370369873 /nfs/dbraw/zinc/36/98/73/1370369873.db2.gz PDFIRUCIRXLUTN-HMXCVIKNSA-N 2 1 336.483 3.209 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccncc3)C[C@H]21 ZINC001204082738 1370369876 /nfs/dbraw/zinc/36/98/76/1370369876.db2.gz PDFIRUCIRXLUTN-HMXCVIKNSA-N 2 1 336.483 3.209 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC001204082738 1370369880 /nfs/dbraw/zinc/36/98/80/1370369880.db2.gz PDFIRUCIRXLUTN-HMXCVIKNSA-N 2 1 336.483 3.209 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC001204082738 1370369884 /nfs/dbraw/zinc/36/98/84/1370369884.db2.gz PDFIRUCIRXLUTN-HMXCVIKNSA-N 2 1 336.483 3.209 20 0 EGADMP CC[NH+](CC)CCN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001204158598 1370394150 /nfs/dbraw/zinc/39/41/50/1370394150.db2.gz APGZABBTKBBZAQ-UHFFFAOYSA-N 2 1 343.437 3.165 20 0 EGADMP Cc1cc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCCCC2)cs1 ZINC001115450662 1370459088 /nfs/dbraw/zinc/45/90/88/1370459088.db2.gz JADROVSBDBRFTL-KRWDZBQOSA-N 2 1 349.544 3.059 20 0 EGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3c(C)nn(-c4ccccc4)c3C)C[C@@H]2C1 ZINC001204450865 1370479774 /nfs/dbraw/zinc/47/97/74/1370479774.db2.gz PYISVHWRBBBSRY-KDURUIRLSA-N 2 1 338.499 3.263 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c(C)nn(-c4ccccc4)c3C)C[C@@H]2C1 ZINC001204450865 1370479777 /nfs/dbraw/zinc/47/97/77/1370479777.db2.gz PYISVHWRBBBSRY-KDURUIRLSA-N 2 1 338.499 3.263 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c(C)nn(-c4ccccc4)c3C)C[C@@H]2C1 ZINC001204450865 1370479779 /nfs/dbraw/zinc/47/97/79/1370479779.db2.gz PYISVHWRBBBSRY-KDURUIRLSA-N 2 1 338.499 3.263 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c(C)nn(-c4ccccc4)c3C)C[C@@H]2C1 ZINC001204450865 1370479785 /nfs/dbraw/zinc/47/97/85/1370479785.db2.gz PYISVHWRBBBSRY-KDURUIRLSA-N 2 1 338.499 3.263 20 0 EGADMP Cc1nn(C)cc1CN1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001204582915 1370523727 /nfs/dbraw/zinc/52/37/27/1370523727.db2.gz PUEIDQBYKNIXME-NRFANRHFSA-N 2 1 338.499 3.217 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC001115573891 1370576658 /nfs/dbraw/zinc/57/66/58/1370576658.db2.gz XUYUCSRSIUKXNA-KRWDZBQOSA-N 2 1 346.519 3.215 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCCCC1 ZINC001115574825 1370577829 /nfs/dbraw/zinc/57/78/29/1370577829.db2.gz RXBYOOUPXUEUMS-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP CC[C@H](C)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579338 1370582801 /nfs/dbraw/zinc/58/28/01/1370582801.db2.gz IPQQCZHRNKSEBL-ZWKOTPCHSA-N 2 1 337.552 3.316 20 0 EGADMP CC[C@H](F)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579383 1370582966 /nfs/dbraw/zinc/58/29/66/1370582966.db2.gz LGBLPFNLIXXPBG-DLBZAZTESA-N 2 1 341.515 3.018 20 0 EGADMP Cc1ccccc1OC1CC[NH+](C[C@H]2[C@@H](C)C[NH2+]CC2(F)F)CC1 ZINC001204869695 1370593569 /nfs/dbraw/zinc/59/35/69/1370593569.db2.gz GQRZCHVBONLMNS-RDJZCZTQSA-N 2 1 338.442 3.329 20 0 EGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)Cc1ccccc1Br ZINC001204877771 1370595140 /nfs/dbraw/zinc/59/51/40/1370595140.db2.gz PFFXGWMJELVMMQ-WCQYABFASA-N 2 1 347.247 3.372 20 0 EGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)Cc1ccccc1Br ZINC001204877771 1370595144 /nfs/dbraw/zinc/59/51/44/1370595144.db2.gz PFFXGWMJELVMMQ-WCQYABFASA-N 2 1 347.247 3.372 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccsc2)CCCCC1 ZINC001115596828 1370598311 /nfs/dbraw/zinc/59/83/11/1370598311.db2.gz XRGBRKPSFOSMKV-QGZVFWFLSA-N 2 1 349.544 3.141 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)C1 ZINC001205018031 1370629769 /nfs/dbraw/zinc/62/97/69/1370629769.db2.gz QHVPVKHAGBEWKF-AWEZNQCLSA-N 2 1 331.410 3.458 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)C1 ZINC001205018031 1370629771 /nfs/dbraw/zinc/62/97/71/1370629771.db2.gz QHVPVKHAGBEWKF-AWEZNQCLSA-N 2 1 331.410 3.458 20 0 EGADMP [NH3+][C@H]1CCC[N@H+](Cc2cnn(-c3cccc(C(F)(F)F)c3)c2)CC1 ZINC001205117083 1370654843 /nfs/dbraw/zinc/65/48/43/1370654843.db2.gz KLDMCKKUVBPOEA-HNNXBMFYSA-N 2 1 338.377 3.204 20 0 EGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cnn(-c3cccc(C(F)(F)F)c3)c2)CC1 ZINC001205117083 1370654848 /nfs/dbraw/zinc/65/48/48/1370654848.db2.gz KLDMCKKUVBPOEA-HNNXBMFYSA-N 2 1 338.377 3.204 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccc(F)c(OCc3ccccc3)c2)C[C@H]1C[NH3+] ZINC001205156016 1370665172 /nfs/dbraw/zinc/66/51/72/1370665172.db2.gz MBBJDFDYJSHHID-MAUKXSAKSA-N 2 1 328.431 3.431 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(OCc3ccccc3)c2)C[C@H]1C[NH3+] ZINC001205156016 1370665177 /nfs/dbraw/zinc/66/51/77/1370665177.db2.gz MBBJDFDYJSHHID-MAUKXSAKSA-N 2 1 328.431 3.431 20 0 EGADMP COc1ccc2c(c1)CC[N@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)C2 ZINC001205164505 1370667214 /nfs/dbraw/zinc/66/72/14/1370667214.db2.gz GVZJNZQBGKQRJG-UHFFFAOYSA-N 2 1 347.462 3.311 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001205219197 1370685340 /nfs/dbraw/zinc/68/53/40/1370685340.db2.gz AENHZMQMRIRZRE-AWEZNQCLSA-N 2 1 336.785 3.035 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cccc(-c3ccc(F)cc3F)c2)CC1 ZINC001205247829 1370694934 /nfs/dbraw/zinc/69/49/34/1370694934.db2.gz JZEMFOGYVDUHST-FQEVSTJZSA-N 2 1 346.421 3.308 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)CC1 ZINC001205257975 1370697701 /nfs/dbraw/zinc/69/77/01/1370697701.db2.gz ZPVWSVWJEWRAMI-IBGZPJMESA-N 2 1 345.874 3.078 20 0 EGADMP C[C@]1([NH3+])CCC[N@H+](Cc2cccn2Cc2cnc(Cl)s2)CC1 ZINC001205273658 1370702671 /nfs/dbraw/zinc/70/26/71/1370702671.db2.gz NRENZASQYAYMSE-INIZCTEOSA-N 2 1 338.908 3.350 20 0 EGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccn2Cc2cnc(Cl)s2)CC1 ZINC001205273658 1370702678 /nfs/dbraw/zinc/70/26/78/1370702678.db2.gz NRENZASQYAYMSE-INIZCTEOSA-N 2 1 338.908 3.350 20 0 EGADMP CN(C)c1ccc(Br)cc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205289113 1370708546 /nfs/dbraw/zinc/70/85/46/1370708546.db2.gz SQEZHYYAAUVZCV-MRXNPFEDSA-N 2 1 340.309 3.218 20 0 EGADMP CN(C)c1ccc(Br)cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205289113 1370708550 /nfs/dbraw/zinc/70/85/50/1370708550.db2.gz SQEZHYYAAUVZCV-MRXNPFEDSA-N 2 1 340.309 3.218 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001115730495 1370712743 /nfs/dbraw/zinc/71/27/43/1370712743.db2.gz LFHVFMCWPLCVMH-SJLPKXTDSA-N 2 1 349.563 3.029 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115730456 1370712966 /nfs/dbraw/zinc/71/29/66/1370712966.db2.gz JVCAPYDIOXUAPA-PKOBYXMFSA-N 2 1 349.563 3.173 20 0 EGADMP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CC[NH2+]CC[C@H]3C)c2)cc1 ZINC001205332821 1370724510 /nfs/dbraw/zinc/72/45/10/1370724510.db2.gz UFWQIHGMUHKESE-MRXNPFEDSA-N 2 1 338.451 3.324 20 0 EGADMP COC(=O)c1ccc(-c2cccc(C[N@H+]3CC[NH2+]CC[C@H]3C)c2)cc1 ZINC001205332821 1370724513 /nfs/dbraw/zinc/72/45/13/1370724513.db2.gz UFWQIHGMUHKESE-MRXNPFEDSA-N 2 1 338.451 3.324 20 0 EGADMP COc1ccc2c(c1)C[N@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)CC2 ZINC001205339408 1370726214 /nfs/dbraw/zinc/72/62/14/1370726214.db2.gz IMRWGKOMHNVHSP-UHFFFAOYSA-N 2 1 347.462 3.311 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001187298348 1388090919 /nfs/dbraw/zinc/09/09/19/1388090919.db2.gz DGSIFPYQLFRYKG-LJQANCHMSA-N 2 1 345.531 3.232 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1([NH2+]CCCF)CCCCC1 ZINC001115776140 1370759560 /nfs/dbraw/zinc/75/95/60/1370759560.db2.gz KPOHQGFHHUTBLL-UHFFFAOYSA-N 2 1 343.531 3.267 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC001205548586 1370787861 /nfs/dbraw/zinc/78/78/61/1370787861.db2.gz YHYAARMIWQNYNS-UHFFFAOYSA-N 3 1 330.520 3.131 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001115805661 1370788965 /nfs/dbraw/zinc/78/89/65/1370788965.db2.gz AIIRUCVDVPWJIH-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115805759 1370789209 /nfs/dbraw/zinc/78/92/09/1370789209.db2.gz FBHFQUCTEHMIMU-UHFFFAOYSA-N 2 1 337.552 3.317 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1Br ZINC001205617479 1370813201 /nfs/dbraw/zinc/81/32/01/1370813201.db2.gz KFXGDSMMWARILV-JSGCOSHPSA-N 2 1 341.293 3.265 20 0 EGADMP COc1ccc(Br)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205617838 1370813311 /nfs/dbraw/zinc/81/33/11/1370813311.db2.gz OLPBQTATOSEGCZ-CHWSQXEVSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC[C@H]1C[NH3+] ZINC001205629539 1370817281 /nfs/dbraw/zinc/81/72/81/1370817281.db2.gz ZTIPMOFNOYVDAT-QAPCUYQASA-N 2 1 332.488 3.449 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC[C@H]1C[NH3+] ZINC001205629540 1370817533 /nfs/dbraw/zinc/81/75/33/1370817533.db2.gz ZTIPMOFNOYVDAT-YJBOKZPZSA-N 2 1 332.488 3.449 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc1OC(=O)C(C)C ZINC001205627392 1370817656 /nfs/dbraw/zinc/81/76/56/1370817656.db2.gz PCBRJOCHVABUNH-WBVHZDCISA-N 2 1 348.487 3.063 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(O)c(OC(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC001205636011 1370820423 /nfs/dbraw/zinc/82/04/23/1370820423.db2.gz BQOMPPZBFLJTRW-WCQYABFASA-N 2 1 332.366 3.098 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cncc(OCc3ccccc3)c2)CC[C@@H]1C[NH3+] ZINC001205652215 1370829268 /nfs/dbraw/zinc/82/92/68/1370829268.db2.gz OMVQLXGSARIXOU-YLJYHZDGSA-N 2 1 339.483 3.467 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2csc(-c3ccc(O)cc3)n2)CC[C@@H]1C[NH3+] ZINC001205653721 1370829908 /nfs/dbraw/zinc/82/99/08/1370829908.db2.gz UUALZABEMNQWFN-DZGCQCFKSA-N 2 1 331.485 3.323 20 0 EGADMP CC(C)(C[N@H+]1CCCC[C@](O)(C[NH3+])C1)Sc1ccc(Cl)cc1 ZINC001205662732 1370833695 /nfs/dbraw/zinc/83/36/95/1370833695.db2.gz DHZCBOLIDSNKSW-KRWDZBQOSA-N 2 1 342.936 3.386 20 0 EGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205662650 1370834465 /nfs/dbraw/zinc/83/44/65/1370834465.db2.gz CWZXLBJSSCFZJQ-LAUBAEHRSA-N 2 1 332.532 3.338 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001205674105 1370837494 /nfs/dbraw/zinc/83/74/94/1370837494.db2.gz ZJPRBECZIDHARJ-SFHVURJKSA-N 2 1 334.847 3.276 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc(C(F)(F)F)cc2Cl)C1 ZINC001205689415 1370843500 /nfs/dbraw/zinc/84/35/00/1370843500.db2.gz OGMZUMMODPFBOO-AWEZNQCLSA-N 2 1 336.785 3.035 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(C(F)(F)F)cc2Cl)C1 ZINC001205689415 1370843505 /nfs/dbraw/zinc/84/35/05/1370843505.db2.gz OGMZUMMODPFBOO-AWEZNQCLSA-N 2 1 336.785 3.035 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C ZINC001205716033 1370850561 /nfs/dbraw/zinc/85/05/61/1370850561.db2.gz DJGABKVVOODIDD-IRXDYDNUSA-N 2 1 341.540 3.247 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C ZINC001205716033 1370850569 /nfs/dbraw/zinc/85/05/69/1370850569.db2.gz DJGABKVVOODIDD-IRXDYDNUSA-N 2 1 341.540 3.247 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CCC[C@@H]1C[NH3+] ZINC001206004146 1370935601 /nfs/dbraw/zinc/93/56/01/1370935601.db2.gz QSUVPYMAXAXRKN-CRAIPNDOSA-N 2 1 332.488 3.449 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(OC)cc1Cl ZINC001206013552 1370937968 /nfs/dbraw/zinc/93/79/68/1370937968.db2.gz SBPNWOGFEUZNSX-STQMWFEESA-N 2 1 326.868 3.164 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(OC(F)(F)F)c1 ZINC001206013988 1370939345 /nfs/dbraw/zinc/93/93/45/1370939345.db2.gz UQAISESYAAVQMJ-STQMWFEESA-N 2 1 346.393 3.401 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)CC1 ZINC001206024213 1370941540 /nfs/dbraw/zinc/94/15/40/1370941540.db2.gz YALKBVDNSDSTHW-NRFANRHFSA-N 2 1 330.516 3.036 20 0 EGADMP Cc1nc(C)c(CN2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)s1 ZINC001206151336 1370973761 /nfs/dbraw/zinc/97/37/61/1370973761.db2.gz SUFWZMOJXDGPSI-GOSISDBHSA-N 2 1 337.533 3.083 20 0 EGADMP COc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)n2)cc1 ZINC001206175453 1370981336 /nfs/dbraw/zinc/98/13/36/1370981336.db2.gz VKKRABIZOPBMKE-QZTJIDSGSA-N 2 1 329.419 3.018 20 0 EGADMP COc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)n2)cc1 ZINC001206175453 1370981339 /nfs/dbraw/zinc/98/13/39/1370981339.db2.gz VKKRABIZOPBMKE-QZTJIDSGSA-N 2 1 329.419 3.018 20 0 EGADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC001326056871 1388106964 /nfs/dbraw/zinc/10/69/64/1388106964.db2.gz CVPQUTCKPZPZPQ-FQEVSTJZSA-N 2 1 337.467 3.447 20 0 EGADMP Cc1cc(Br)cc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206197219 1370990102 /nfs/dbraw/zinc/99/01/02/1370990102.db2.gz GWZUFBYXOUJCMW-LSDHHAIUSA-N 2 1 329.257 3.327 20 0 EGADMP Cc1cc(Br)cc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206197219 1370990104 /nfs/dbraw/zinc/99/01/04/1370990104.db2.gz GWZUFBYXOUJCMW-LSDHHAIUSA-N 2 1 329.257 3.327 20 0 EGADMP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CC[NH2+]C[C@@H](C)C3)c2)cc1 ZINC001206284913 1371011804 /nfs/dbraw/zinc/01/18/04/1371011804.db2.gz JAFCNLFHBBPPRO-MRXNPFEDSA-N 2 1 338.451 3.182 20 0 EGADMP COC(=O)c1ccc(-c2cccc(C[N@H+]3CC[NH2+]C[C@@H](C)C3)c2)cc1 ZINC001206284913 1371011811 /nfs/dbraw/zinc/01/18/11/1371011811.db2.gz JAFCNLFHBBPPRO-MRXNPFEDSA-N 2 1 338.451 3.182 20 0 EGADMP CS[C@@H]1CC[C@@H]([N@@H+](C)CCCN2CCN(c3ccccc3)CC2)C1 ZINC001117133978 1371013835 /nfs/dbraw/zinc/01/38/35/1371013835.db2.gz RYVNAMXLWKMJOT-WOJBJXKFSA-N 2 1 347.572 3.415 20 0 EGADMP CC(C)(C)C(=O)Nc1ncccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304872 1371017018 /nfs/dbraw/zinc/01/70/18/1371017018.db2.gz QDZMEJDJJOZJSU-IBGZPJMESA-N 2 1 332.492 3.017 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-n3cccn3)cc2Cl)CC1 ZINC001206318235 1371019734 /nfs/dbraw/zinc/01/97/34/1371019734.db2.gz OFIYHLLKWHJPCT-GOSISDBHSA-N 2 1 332.879 3.477 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c(Br)ccnc2Cl)CC1 ZINC001206324464 1371022741 /nfs/dbraw/zinc/02/27/41/1371022741.db2.gz BYEAJFBQWQUMDI-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(Br)ccnc2Cl)CC1 ZINC001206324464 1371022746 /nfs/dbraw/zinc/02/27/46/1371022746.db2.gz BYEAJFBQWQUMDI-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Br)nc2)C1 ZINC001117632815 1371057032 /nfs/dbraw/zinc/05/70/32/1371057032.db2.gz IJMXPNFBTYWNFL-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Br)nc2)C1 ZINC001117632815 1371057034 /nfs/dbraw/zinc/05/70/34/1371057034.db2.gz IJMXPNFBTYWNFL-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206550006 1371091246 /nfs/dbraw/zinc/09/12/46/1371091246.db2.gz SWGFIQSIFDAGQJ-NRFANRHFSA-N 2 1 340.515 3.499 20 0 EGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(-n3cccn3)cc2Cl)C1 ZINC001206563736 1371093920 /nfs/dbraw/zinc/09/39/20/1371093920.db2.gz IECOMSBZQRMIGT-GOSISDBHSA-N 2 1 332.879 3.477 20 0 EGADMP CCSc1ncc2cccc(C[N@@H+]3CCCC[C@](C)(C[NH3+])C3)n21 ZINC001206582209 1371099713 /nfs/dbraw/zinc/09/97/13/1371099713.db2.gz MXXDDYPVVZWHEX-GOSISDBHSA-N 2 1 332.517 3.397 20 0 EGADMP CCSc1ncc2cccc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)n21 ZINC001206582209 1371099715 /nfs/dbraw/zinc/09/97/15/1371099715.db2.gz MXXDDYPVVZWHEX-GOSISDBHSA-N 2 1 332.517 3.397 20 0 EGADMP COC(=O)c1ccc2[nH]cc(C[N@@H+](C(C)C)[C@@H]3CCC[NH2+]CC3)c2c1 ZINC001206590531 1371102503 /nfs/dbraw/zinc/10/25/03/1371102503.db2.gz NBEIHDSZKHSBRY-QGZVFWFLSA-N 2 1 343.471 3.307 20 0 EGADMP CC(C)[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)[C@@H]1CCC[NH2+]CC1 ZINC001206598430 1371105285 /nfs/dbraw/zinc/10/52/85/1371105285.db2.gz JLPBYZGDHHGNMM-LJQANCHMSA-N 3 1 340.515 3.097 20 0 EGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc2cc(Br)ccc2[nH]1 ZINC001206768748 1371158715 /nfs/dbraw/zinc/15/87/15/1371158715.db2.gz LWJXNMQNOJQNMQ-VXGBXAGGSA-N 2 1 336.277 3.490 20 0 EGADMP CC[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC001118351995 1371166258 /nfs/dbraw/zinc/16/62/58/1371166258.db2.gz RADVCOOYQSKPCC-GFCCVEGCSA-N 2 1 344.381 3.253 20 0 EGADMP Cc1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1C ZINC001206797123 1371170615 /nfs/dbraw/zinc/17/06/15/1371170615.db2.gz UPXRNXIYRRMICD-WOJBJXKFSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1ncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1C ZINC001206797123 1371170618 /nfs/dbraw/zinc/17/06/18/1371170618.db2.gz UPXRNXIYRRMICD-WOJBJXKFSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1ncc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1C ZINC001206797123 1371170625 /nfs/dbraw/zinc/17/06/25/1371170625.db2.gz UPXRNXIYRRMICD-WOJBJXKFSA-N 3 1 338.499 3.073 20 0 EGADMP Cc1cc(CN2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)no1 ZINC001206815222 1371178374 /nfs/dbraw/zinc/17/83/74/1371178374.db2.gz FAOUUHYXHTVRAS-GOSISDBHSA-N 2 1 329.444 3.453 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)no1 ZINC001206815222 1371178377 /nfs/dbraw/zinc/17/83/77/1371178377.db2.gz FAOUUHYXHTVRAS-GOSISDBHSA-N 2 1 329.444 3.453 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)no1 ZINC001206815222 1371178381 /nfs/dbraw/zinc/17/83/81/1371178381.db2.gz FAOUUHYXHTVRAS-GOSISDBHSA-N 2 1 329.444 3.453 20 0 EGADMP Cc1ccnc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001206852367 1371189649 /nfs/dbraw/zinc/18/96/49/1371189649.db2.gz MTUVYWTUTZJPIL-UHFFFAOYSA-N 2 1 336.483 3.273 20 0 EGADMP CC(C)(C)CCC[NH2+]CC1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001206901204 1371215497 /nfs/dbraw/zinc/21/54/97/1371215497.db2.gz KZESNQZJJYISTA-NRFANRHFSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001206953385 1371243805 /nfs/dbraw/zinc/24/38/05/1371243805.db2.gz HKYVWVXXHRHYSW-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP O=c1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001207072545 1371285574 /nfs/dbraw/zinc/28/55/74/1371285574.db2.gz JFERWLGTHPJKOQ-RTBURBONSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001207072545 1371285583 /nfs/dbraw/zinc/28/55/83/1371285583.db2.gz JFERWLGTHPJKOQ-RTBURBONSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001207072545 1371285587 /nfs/dbraw/zinc/28/55/87/1371285587.db2.gz JFERWLGTHPJKOQ-RTBURBONSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc[nH]1 ZINC001207126357 1371302210 /nfs/dbraw/zinc/30/22/10/1371302210.db2.gz POVWNYSLHOPZON-WOJBJXKFSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc[nH]1 ZINC001207126357 1371302211 /nfs/dbraw/zinc/30/22/11/1371302211.db2.gz POVWNYSLHOPZON-WOJBJXKFSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc[nH]1 ZINC001207126357 1371302216 /nfs/dbraw/zinc/30/22/16/1371302216.db2.gz POVWNYSLHOPZON-WOJBJXKFSA-N 2 1 337.467 3.131 20 0 EGADMP C[NH2+][C@@H](C)Cc1noc([C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2)n1 ZINC001326209326 1388128022 /nfs/dbraw/zinc/12/80/22/1388128022.db2.gz SROUGPHROFXFCA-RDJZCZTQSA-N 2 1 328.460 3.256 20 0 EGADMP C[NH2+][C@@H](C)Cc1noc([C@@H]2CCCC[N@H+]2Cc2cccc(C)c2)n1 ZINC001326209326 1388128027 /nfs/dbraw/zinc/12/80/27/1388128027.db2.gz SROUGPHROFXFCA-RDJZCZTQSA-N 2 1 328.460 3.256 20 0 EGADMP CC1=CC[C@@H](CCN2CC[NH+](CC3CC[NH+](C)CC3)CC2)C1(C)C ZINC001207275509 1371347429 /nfs/dbraw/zinc/34/74/29/1371347429.db2.gz KPGPELZHCFKMGF-FQEVSTJZSA-N 2 1 333.564 3.328 20 0 EGADMP C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207278929 1371348961 /nfs/dbraw/zinc/34/89/61/1371348961.db2.gz HDZYVAMSLJIGLE-HZPDHXFCSA-N 2 1 341.540 3.199 20 0 EGADMP Cc1cccc(N2C[C@]3(CC[N@H+](CC(C)(C)C[NH+](C)C)C3)CC2=O)c1 ZINC001207281455 1371348977 /nfs/dbraw/zinc/34/89/77/1371348977.db2.gz DMUABKSCXMTCGN-OAQYLSRUSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001207284234 1371350027 /nfs/dbraw/zinc/35/00/27/1371350027.db2.gz MGLVGVCTDDBXNZ-IBGZPJMESA-N 2 1 341.540 3.201 20 0 EGADMP OC[C@]1(F)CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207286859 1371351327 /nfs/dbraw/zinc/35/13/27/1371351327.db2.gz OFTPLTJTYCJUSL-FQEVSTJZSA-N 2 1 334.479 3.085 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@H]1CCCOC1)CC2 ZINC001207463016 1371403059 /nfs/dbraw/zinc/40/30/59/1371403059.db2.gz DJELPRLEGKLBSL-MJGOQNOKSA-N 2 1 332.488 3.383 20 0 EGADMP C[N@H+](CCc1cccc(C(F)(F)F)n1)CCC1CC[NH+](C)CC1 ZINC001207480092 1371408665 /nfs/dbraw/zinc/40/86/65/1371408665.db2.gz UDDLSCKOZLYNCC-UHFFFAOYSA-N 2 1 329.410 3.307 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3N3CCCC3)C[C@@H]2C1 ZINC001119987921 1371443008 /nfs/dbraw/zinc/44/30/08/1371443008.db2.gz CNMALJMTWYPXEU-YZGWKJHDSA-N 2 1 327.516 3.449 20 0 EGADMP COC(=O)CC[N@H+](CCCc1cccc(Cl)c1)CCC[NH+](C)C ZINC001207589370 1371444636 /nfs/dbraw/zinc/44/46/36/1371444636.db2.gz LATYSCBQYQQHDI-UHFFFAOYSA-N 2 1 340.895 3.089 20 0 EGADMP C[N@H+](C1CCOCC1)C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC001207604918 1371449963 /nfs/dbraw/zinc/44/99/63/1371449963.db2.gz GOZLLVDVYOBUQO-UHFFFAOYSA-N 2 1 334.479 3.334 20 0 EGADMP C[N@@H+](C1CCOCC1)C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC001207604918 1371449966 /nfs/dbraw/zinc/44/99/66/1371449966.db2.gz GOZLLVDVYOBUQO-UHFFFAOYSA-N 2 1 334.479 3.334 20 0 EGADMP CCc1c[nH]c2nc[nH+]c(N3CCC([NH2+]Cc4ccccc4)CC3)c12 ZINC001120041065 1371466743 /nfs/dbraw/zinc/46/67/43/1371466743.db2.gz XLAQVMLJOBPJRK-UHFFFAOYSA-N 2 1 335.455 3.279 20 0 EGADMP CC1CCC(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCCCC2)CC1 ZINC001120129844 1371492075 /nfs/dbraw/zinc/49/20/75/1371492075.db2.gz OZEYKOPFDAEVQH-CTWPCTMYSA-N 2 1 349.563 3.173 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207750243 1371493480 /nfs/dbraw/zinc/49/34/80/1371493480.db2.gz NIFKGXAYMOJFEZ-BHIYHBOVSA-N 2 1 345.531 3.305 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001207750243 1371493483 /nfs/dbraw/zinc/49/34/83/1371493483.db2.gz NIFKGXAYMOJFEZ-BHIYHBOVSA-N 2 1 345.531 3.305 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001207750243 1371493485 /nfs/dbraw/zinc/49/34/85/1371493485.db2.gz NIFKGXAYMOJFEZ-BHIYHBOVSA-N 2 1 345.531 3.305 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001120140884 1371494036 /nfs/dbraw/zinc/49/40/36/1371494036.db2.gz OOJDYSQPZSNWNR-UHFFFAOYSA-N 2 1 346.519 3.036 20 0 EGADMP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCCCC1 ZINC001120208424 1371504782 /nfs/dbraw/zinc/50/47/82/1371504782.db2.gz ZFMCUVQEPUXHBG-DLBZAZTESA-N 2 1 341.515 3.018 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@H]1COC(C)(C)O1)CC2 ZINC001207923458 1371539794 /nfs/dbraw/zinc/53/97/94/1371539794.db2.gz QTPMLIFRVVSBOQ-ROUUACIJSA-N 2 1 348.487 3.108 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208015059 1371569539 /nfs/dbraw/zinc/56/95/39/1371569539.db2.gz XBARVMGCEFTKAP-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC2=CCCCC2)C1 ZINC001120430561 1371573993 /nfs/dbraw/zinc/57/39/93/1371573993.db2.gz LTILGNSZZCWZRG-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CCC(C)(C)C)C1 ZINC001120430915 1371574630 /nfs/dbraw/zinc/57/46/30/1371574630.db2.gz NZSGIPJMUAUWLP-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CCCC2CCC2)C1 ZINC001120432228 1371574706 /nfs/dbraw/zinc/57/47/06/1371574706.db2.gz ZATVEEKRJCOZIE-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120438866 1371577496 /nfs/dbraw/zinc/57/74/96/1371577496.db2.gz CPSFIVROQHXZBF-RLWBPELLSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120438866 1371577498 /nfs/dbraw/zinc/57/74/98/1371577498.db2.gz CPSFIVROQHXZBF-RLWBPELLSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001120438866 1371577501 /nfs/dbraw/zinc/57/75/01/1371577501.db2.gz CPSFIVROQHXZBF-RLWBPELLSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120449444 1371581225 /nfs/dbraw/zinc/58/12/25/1371581225.db2.gz MGNUBZIPHHQIPE-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001120449444 1371581229 /nfs/dbraw/zinc/58/12/29/1371581229.db2.gz MGNUBZIPHHQIPE-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001120449444 1371581232 /nfs/dbraw/zinc/58/12/32/1371581232.db2.gz MGNUBZIPHHQIPE-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001120450342 1371581379 /nfs/dbraw/zinc/58/13/79/1371581379.db2.gz VEBGYLNEQPPGMR-NHQAVIFJSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120450342 1371581382 /nfs/dbraw/zinc/58/13/82/1371581382.db2.gz VEBGYLNEQPPGMR-NHQAVIFJSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120450342 1371581385 /nfs/dbraw/zinc/58/13/85/1371581385.db2.gz VEBGYLNEQPPGMR-NHQAVIFJSA-N 2 1 349.563 3.388 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@H]([NH2+]CC(CC)CC)C1 ZINC001208073182 1371587257 /nfs/dbraw/zinc/58/72/57/1371587257.db2.gz DUHCYRLLBRODDA-WMZOPIPTSA-N 2 1 348.535 3.413 20 0 EGADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001208095048 1371595108 /nfs/dbraw/zinc/59/51/08/1371595108.db2.gz VEBLXRPZLOGRDQ-SFHVURJKSA-N 2 1 336.520 3.306 20 0 EGADMP C[NH+](C)C[C@@H](C[NH2+]C[C@H](O)c1ccccc1)c1ccc(Cl)cc1 ZINC001120512539 1371596352 /nfs/dbraw/zinc/59/63/52/1371596352.db2.gz DPPYEIMDHXZYTR-MJGOQNOKSA-N 2 1 332.875 3.308 20 0 EGADMP C[NH+](C)CC1(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC001208185904 1371626608 /nfs/dbraw/zinc/62/66/08/1371626608.db2.gz KTEHZPVGLAOOLR-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C)CC1(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC001208185904 1371626610 /nfs/dbraw/zinc/62/66/10/1371626610.db2.gz KTEHZPVGLAOOLR-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208185765 1371626955 /nfs/dbraw/zinc/62/69/55/1371626955.db2.gz QBJPTAQIUGKKGB-QUCCMNQESA-N 2 1 338.536 3.016 20 0 EGADMP Cc1cccc(N2CCC[N@H+](CC3(C[NH+](C)C)CCCC3)CC2)n1 ZINC001208185883 1371627706 /nfs/dbraw/zinc/62/77/06/1371627706.db2.gz JWEKTCUBWRZPCJ-UHFFFAOYSA-N 2 1 330.520 3.024 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(C)c1 ZINC001326310406 1388149366 /nfs/dbraw/zinc/14/93/66/1388149366.db2.gz DXRDKAJIRCHECR-QGZVFWFLSA-N 2 1 329.488 3.096 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208363361 1371735867 /nfs/dbraw/zinc/73/58/67/1371735867.db2.gz XYPOSYMSRYKEMC-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001208459556 1371775311 /nfs/dbraw/zinc/77/53/11/1371775311.db2.gz BYFQCOLCRKAHNS-QGZVFWFLSA-N 2 1 337.552 3.410 20 0 EGADMP C[NH+](C)CC1CCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208588679 1371830431 /nfs/dbraw/zinc/83/04/31/1371830431.db2.gz KIPYWYFNKQWSNJ-OAQYLSRUSA-N 2 1 329.532 3.315 20 0 EGADMP C[NH+](C)CC1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208588679 1371830434 /nfs/dbraw/zinc/83/04/34/1371830434.db2.gz KIPYWYFNKQWSNJ-OAQYLSRUSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC001208592937 1371832837 /nfs/dbraw/zinc/83/28/37/1371832837.db2.gz MMEWEDFYISRTRB-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1CC1CC[NH+](CC)CC1 ZINC001208602846 1371835978 /nfs/dbraw/zinc/83/59/78/1371835978.db2.gz OZWCAQJYVSELCR-NRFANRHFSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)CC1 ZINC001208602986 1371837162 /nfs/dbraw/zinc/83/71/62/1371837162.db2.gz QJIDEEHHPKAHHI-QGZVFWFLSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(c3nnc(-c4ccccc4)o3)CC2)C1 ZINC001208606267 1371838670 /nfs/dbraw/zinc/83/86/70/1371838670.db2.gz DPHMAYXGGHSASW-MRXNPFEDSA-N 2 1 340.471 3.258 20 0 EGADMP FC1(F)CC[N@H+](CCC2CC2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001208682947 1371860580 /nfs/dbraw/zinc/86/05/80/1371860580.db2.gz URKUOSYVFRYZTN-SFHVURJKSA-N 2 1 335.442 3.415 20 0 EGADMP FC1(F)CC[N@@H+](CCC2CC2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001208682947 1371860582 /nfs/dbraw/zinc/86/05/82/1371860582.db2.gz URKUOSYVFRYZTN-SFHVURJKSA-N 2 1 335.442 3.415 20 0 EGADMP FC1(F)CC[NH+](CCC2CC2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001208682947 1371860583 /nfs/dbraw/zinc/86/05/83/1371860583.db2.gz URKUOSYVFRYZTN-SFHVURJKSA-N 2 1 335.442 3.415 20 0 EGADMP FC1(F)CC[NH+](CCC2CC2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001208682947 1371860585 /nfs/dbraw/zinc/86/05/85/1371860585.db2.gz URKUOSYVFRYZTN-SFHVURJKSA-N 2 1 335.442 3.415 20 0 EGADMP CCCC[NH2+]C1CC2(CC(NC(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001121133554 1371862166 /nfs/dbraw/zinc/86/21/66/1371862166.db2.gz CHLQTGFHFJBFDH-AKJOHPPZSA-N 2 1 346.519 3.214 20 0 EGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](CCCc2ccc(F)cc2)CC1 ZINC001208771154 1371891518 /nfs/dbraw/zinc/89/15/18/1371891518.db2.gz QPFKGLHUXZMAIS-FQEVSTJZSA-N 2 1 334.479 3.334 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](CCCc2ccc(F)cc2)CC1 ZINC001208771154 1371891524 /nfs/dbraw/zinc/89/15/24/1371891524.db2.gz QPFKGLHUXZMAIS-FQEVSTJZSA-N 2 1 334.479 3.334 20 0 EGADMP CC[C@@H](CCC(=O)OC)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001208793668 1371898403 /nfs/dbraw/zinc/89/84/03/1371898403.db2.gz WSDRWFRTPTWXMR-YSIASYRMSA-N 2 1 344.499 3.030 20 0 EGADMP CC[C@@H](CCC(=O)OC)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208793668 1371898407 /nfs/dbraw/zinc/89/84/07/1371898407.db2.gz WSDRWFRTPTWXMR-YSIASYRMSA-N 2 1 344.499 3.030 20 0 EGADMP CC[C@@H](CCC(=O)OC)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208793668 1371898410 /nfs/dbraw/zinc/89/84/10/1371898410.db2.gz WSDRWFRTPTWXMR-YSIASYRMSA-N 2 1 344.499 3.030 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CCC=CO3)C[C@@H]21 ZINC001208879287 1371930316 /nfs/dbraw/zinc/93/03/16/1371930316.db2.gz BJFZPWZXNIQIKK-BVOGOJNSSA-N 2 1 341.499 3.307 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CCC=CO3)C[C@@H]21 ZINC001208879287 1371930319 /nfs/dbraw/zinc/93/03/19/1371930319.db2.gz BJFZPWZXNIQIKK-BVOGOJNSSA-N 2 1 341.499 3.307 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCC=CO3)C[C@@H]21 ZINC001208879287 1371930321 /nfs/dbraw/zinc/93/03/21/1371930321.db2.gz BJFZPWZXNIQIKK-BVOGOJNSSA-N 2 1 341.499 3.307 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC=CO3)C[C@@H]21 ZINC001208879287 1371930322 /nfs/dbraw/zinc/93/03/22/1371930322.db2.gz BJFZPWZXNIQIKK-BVOGOJNSSA-N 2 1 341.499 3.307 20 0 EGADMP CCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001121340651 1371942741 /nfs/dbraw/zinc/94/27/41/1371942741.db2.gz CDCORORUAOQGFG-UHFFFAOYSA-N 2 1 335.536 3.066 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)C2)cc1 ZINC001208940475 1371954910 /nfs/dbraw/zinc/95/49/10/1371954910.db2.gz SDBPQRNDPWNJMV-AFDCHOCNSA-N 2 1 326.484 3.008 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)C2)cc1 ZINC001208940475 1371954946 /nfs/dbraw/zinc/95/49/46/1371954946.db2.gz SDBPQRNDPWNJMV-AFDCHOCNSA-N 2 1 326.484 3.008 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)C2)cc1 ZINC001208940475 1371954956 /nfs/dbraw/zinc/95/49/56/1371954956.db2.gz SDBPQRNDPWNJMV-AFDCHOCNSA-N 2 1 326.484 3.008 20 0 EGADMP Cc1nc([C@H]2CCC[N@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)no1 ZINC001208940410 1371955008 /nfs/dbraw/zinc/95/50/08/1371955008.db2.gz CUSNONQAPYHTAP-MOPGFXCFSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nc([C@H]2CCC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)no1 ZINC001208940410 1371955010 /nfs/dbraw/zinc/95/50/10/1371955010.db2.gz CUSNONQAPYHTAP-MOPGFXCFSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nc([C@H]2CCC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)no1 ZINC001208940410 1371955014 /nfs/dbraw/zinc/95/50/14/1371955014.db2.gz CUSNONQAPYHTAP-MOPGFXCFSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nc([C@H]2CCC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)no1 ZINC001208940410 1371955024 /nfs/dbraw/zinc/95/50/24/1371955024.db2.gz CUSNONQAPYHTAP-MOPGFXCFSA-N 2 1 340.471 3.080 20 0 EGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@@H](COCC4CC4)C3)C2)cc1 ZINC001208951293 1371960728 /nfs/dbraw/zinc/96/07/28/1371960728.db2.gz BKYPOFAZJGACNS-LEWJYISDSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CC[C@@H](COCC4CC4)C3)C2)cc1 ZINC001208951293 1371960734 /nfs/dbraw/zinc/96/07/34/1371960734.db2.gz BKYPOFAZJGACNS-LEWJYISDSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@@H](COCC4CC4)C3)C2)cc1 ZINC001208951293 1371960737 /nfs/dbraw/zinc/96/07/37/1371960737.db2.gz BKYPOFAZJGACNS-LEWJYISDSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CC[C@H](COCC4CC4)C3)C2)cc1 ZINC001208951295 1371961256 /nfs/dbraw/zinc/96/12/56/1371961256.db2.gz BKYPOFAZJGACNS-RTWAWAEBSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CC[C@H](COCC4CC4)C3)C2)cc1 ZINC001208951295 1371961260 /nfs/dbraw/zinc/96/12/60/1371961260.db2.gz BKYPOFAZJGACNS-RTWAWAEBSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CC[C@H](COCC4CC4)C3)C2)cc1 ZINC001208951295 1371961269 /nfs/dbraw/zinc/96/12/69/1371961269.db2.gz BKYPOFAZJGACNS-RTWAWAEBSA-N 2 1 328.500 3.257 20 0 EGADMP CCCC[NH+]1CCC([N@H+](C)C[C@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001209007302 1371973040 /nfs/dbraw/zinc/97/30/40/1371973040.db2.gz MOZNKGSRFSMYQJ-QGZVFWFLSA-N 2 1 339.524 3.192 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)C[C@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001209007302 1371973042 /nfs/dbraw/zinc/97/30/42/1371973042.db2.gz MOZNKGSRFSMYQJ-QGZVFWFLSA-N 2 1 339.524 3.192 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209133575 1372009464 /nfs/dbraw/zinc/00/94/64/1372009464.db2.gz HNJOBJZUEXWIOA-CEXWTWQISA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142163 1372012016 /nfs/dbraw/zinc/01/20/16/1372012016.db2.gz GJPZXARBMNGIFP-QRVBRYPASA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209142163 1372012023 /nfs/dbraw/zinc/01/20/23/1372012023.db2.gz GJPZXARBMNGIFP-QRVBRYPASA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209142163 1372012028 /nfs/dbraw/zinc/01/20/28/1372012028.db2.gz GJPZXARBMNGIFP-QRVBRYPASA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CC=C(C)C)C3)C1 ZINC001121618102 1372027721 /nfs/dbraw/zinc/02/77/21/1372027721.db2.gz YNFBWZMSVYHASP-PMRGXDQWSA-N 2 1 347.547 3.092 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CCCc4ccncc4)CC[C@@H]3C2)cc1 ZINC001209189268 1372032370 /nfs/dbraw/zinc/03/23/70/1372032370.db2.gz IOTBEWQOIFEFTR-FGZHOGPDSA-N 2 1 335.495 3.468 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CCCc4ccncc4)CC[C@@H]3C2)cc1 ZINC001209189268 1372032375 /nfs/dbraw/zinc/03/23/75/1372032375.db2.gz IOTBEWQOIFEFTR-FGZHOGPDSA-N 2 1 335.495 3.468 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001121767762 1372074829 /nfs/dbraw/zinc/07/48/29/1372074829.db2.gz KAKFCHMFNKQODM-PPDYRMFTSA-N 2 1 349.563 3.170 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001121772502 1372076563 /nfs/dbraw/zinc/07/65/63/1372076563.db2.gz BTOVSTOVSWVGRC-IPHBXJNRSA-N 2 1 349.563 3.027 20 0 EGADMP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001121790819 1372081875 /nfs/dbraw/zinc/08/18/75/1372081875.db2.gz DKLISOAFONTHPZ-AKJOHPPZSA-N 2 1 337.552 3.027 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209449817 1372109451 /nfs/dbraw/zinc/10/94/51/1372109451.db2.gz AFTIQRPSJGPVGN-KRWDZBQOSA-N 2 1 339.524 3.194 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122055376 1372163733 /nfs/dbraw/zinc/16/37/33/1372163733.db2.gz BPQCIVVTAKCUCG-IAAUGFHKSA-N 2 1 349.563 3.027 20 0 EGADMP CC(C)(C)CCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001209660203 1372164542 /nfs/dbraw/zinc/16/45/42/1372164542.db2.gz OJGUNCRWQPCHBW-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+][C@H](C)c1ccccc1)C2 ZINC001122106516 1372175647 /nfs/dbraw/zinc/17/56/47/1372175647.db2.gz KOIQSGIEIAOYHB-WOLZCAMPSA-N 2 1 343.515 3.106 20 0 EGADMP Cn1cc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c2cccnc21 ZINC001209748622 1372182631 /nfs/dbraw/zinc/18/26/31/1372182631.db2.gz FOKLURBQAKLFCI-ROUUACIJSA-N 2 1 326.488 3.412 20 0 EGADMP Cn1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c2cccnc21 ZINC001209748622 1372182632 /nfs/dbraw/zinc/18/26/32/1372182632.db2.gz FOKLURBQAKLFCI-ROUUACIJSA-N 2 1 326.488 3.412 20 0 EGADMP Cn1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c2cccnc21 ZINC001209748622 1372182633 /nfs/dbraw/zinc/18/26/33/1372182633.db2.gz FOKLURBQAKLFCI-ROUUACIJSA-N 2 1 326.488 3.412 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209954857 1372240179 /nfs/dbraw/zinc/24/01/79/1372240179.db2.gz ZYHVSMIZGTUENN-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001210235901 1372300688 /nfs/dbraw/zinc/30/06/88/1372300688.db2.gz HETUUVXXSOYEBB-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210433615 1372352782 /nfs/dbraw/zinc/35/27/82/1372352782.db2.gz UUAYLGCBYAPPKT-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCC2CC2)C1)c1ccccc1 ZINC001210645397 1372398848 /nfs/dbraw/zinc/39/88/48/1372398848.db2.gz QZJHXWSMZUMNPO-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210643786 1372399033 /nfs/dbraw/zinc/39/90/33/1372399033.db2.gz LEUYGAXEKIIKBC-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP c1cc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)ccc1C[NH+]1CCOCC1 ZINC001210707885 1372410753 /nfs/dbraw/zinc/41/07/53/1372410753.db2.gz GDMLVNHYFCZWRH-OAQYLSRUSA-N 2 1 341.499 3.463 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001210784408 1372426187 /nfs/dbraw/zinc/42/61/87/1372426187.db2.gz ZSAFVUUFOGMDRZ-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001210783490 1372426202 /nfs/dbraw/zinc/42/62/02/1372426202.db2.gz TXDLOLQUYMGIJX-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc3cnccc3c2)no1 ZINC001212145414 1372664001 /nfs/dbraw/zinc/66/40/01/1372664001.db2.gz SYMCOBSQWXGSNZ-KRWDZBQOSA-N 2 1 339.443 3.453 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001127678871 1373159271 /nfs/dbraw/zinc/15/92/71/1373159271.db2.gz FIGCVKRWLVXERW-HUUCEWRRSA-N 2 1 346.450 3.003 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)cc1 ZINC001130187422 1373471528 /nfs/dbraw/zinc/47/15/28/1373471528.db2.gz UVFUGHBYDIZWKC-VQTJNVASSA-N 2 1 343.515 3.033 20 0 EGADMP CC(C)CC[C@@H]([NH3+])c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217707085 1373491462 /nfs/dbraw/zinc/49/14/62/1373491462.db2.gz OSBCSQCRSRCBFQ-DLBZAZTESA-N 2 1 328.460 3.495 20 0 EGADMP CC(C)CC[C@@H]([NH3+])c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217707085 1373491464 /nfs/dbraw/zinc/49/14/64/1373491464.db2.gz OSBCSQCRSRCBFQ-DLBZAZTESA-N 2 1 328.460 3.495 20 0 EGADMP [NH3+][C@H](CC1CC[NH2+]CC1)c1nnc([C@H]2C[C@H]2c2ccc(Cl)cc2)o1 ZINC001217724560 1373495304 /nfs/dbraw/zinc/49/53/04/1373495304.db2.gz LNUHJGAGYVRBGX-HRCADAONSA-N 2 1 346.862 3.384 20 0 EGADMP CCCCOc1ccc(-c2nnc([C@H]([NH3+])CC3CC[NH2+]CC3)o2)cc1 ZINC001217724113 1373495746 /nfs/dbraw/zinc/49/57/46/1373495746.db2.gz HITRVKWOVRHFDR-QGZVFWFLSA-N 2 1 344.459 3.305 20 0 EGADMP [NH3+][C@H](c1nnc(-c2ccc(-c3ccccc3)cc2)o1)C1CC[NH2+]CC1 ZINC001217733018 1373496128 /nfs/dbraw/zinc/49/61/28/1373496128.db2.gz MDKFWSBPUQROTJ-SFHVURJKSA-N 2 1 334.423 3.403 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](OCCC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC001217928830 1373513356 /nfs/dbraw/zinc/51/33/56/1373513356.db2.gz HTTPGFMMHBOTRC-HBMCJLEFSA-N 2 1 328.500 3.303 20 0 EGADMP C[C@@H]1C[NH2+]C[C@H]1Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@H+](C)CC3 ZINC001218035608 1373543809 /nfs/dbraw/zinc/54/38/09/1373543809.db2.gz JKOHRQWNKFIPDU-GREXAQRUSA-N 2 1 340.511 3.362 20 0 EGADMP C[C@H]1C[C@H](Oc2ccc3c(n2)C[N@@H+](Cc2ccccc2)CC3)CC[NH2+]1 ZINC001218057452 1373549618 /nfs/dbraw/zinc/54/96/18/1373549618.db2.gz RQEWRPUKVAGZBX-QFBILLFUSA-N 2 1 337.467 3.159 20 0 EGADMP C[C@H]1C[C@H](Oc2ccc3c(n2)C[N@H+](Cc2ccccc2)CC3)CC[NH2+]1 ZINC001218057452 1373549622 /nfs/dbraw/zinc/54/96/22/1373549622.db2.gz RQEWRPUKVAGZBX-QFBILLFUSA-N 2 1 337.467 3.159 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCCCC)C[C@H]21 ZINC001221876653 1373800933 /nfs/dbraw/zinc/80/09/33/1373800933.db2.gz NHLFSRJWXUPDPO-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CCCCC)C[C@H]21 ZINC001221876653 1373800939 /nfs/dbraw/zinc/80/09/39/1373800939.db2.gz NHLFSRJWXUPDPO-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CCCCC)C[C@H]21 ZINC001221876653 1373800943 /nfs/dbraw/zinc/80/09/43/1373800943.db2.gz NHLFSRJWXUPDPO-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP COc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc2c1OCC=C2 ZINC001222277841 1373823481 /nfs/dbraw/zinc/82/34/81/1373823481.db2.gz TVGSLDYKZGFHQC-HXUWFJFHSA-N 2 1 328.456 3.066 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc2c1OCC=C2 ZINC001222277841 1373823488 /nfs/dbraw/zinc/82/34/88/1373823488.db2.gz TVGSLDYKZGFHQC-HXUWFJFHSA-N 2 1 328.456 3.066 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CCc2c[nH]cn2)CC[C@@H]1C ZINC001132089953 1375140273 /nfs/dbraw/zinc/14/02/73/1375140273.db2.gz BDRLUZRBHIPWKS-BGYNLAARSA-N 2 1 332.492 3.058 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCc2cnc[nH]2)CC[C@@H]1C ZINC001132089953 1375140275 /nfs/dbraw/zinc/14/02/75/1375140275.db2.gz BDRLUZRBHIPWKS-BGYNLAARSA-N 2 1 332.492 3.058 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CCc2cnc[nH]2)CC[C@@H]1C ZINC001132089953 1375140277 /nfs/dbraw/zinc/14/02/77/1375140277.db2.gz BDRLUZRBHIPWKS-BGYNLAARSA-N 2 1 332.492 3.058 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132123457 1375157979 /nfs/dbraw/zinc/15/79/79/1375157979.db2.gz DUJWXBPGFNCGNN-NYQZOWANSA-N 2 1 347.547 3.188 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132150166 1375170555 /nfs/dbraw/zinc/17/05/55/1375170555.db2.gz OSIKBAFLTNUSMQ-MSOLQXFVSA-N 2 1 335.536 3.164 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132153894 1375174329 /nfs/dbraw/zinc/17/43/29/1375174329.db2.gz USTVXDZRCSQTEH-IMBPEULASA-N 2 1 340.471 3.273 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132157656 1375175985 /nfs/dbraw/zinc/17/59/85/1375175985.db2.gz RVXQZPOLATXALT-FUHWJXTLSA-N 2 1 342.487 3.497 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@H+]1CC1CCC1 ZINC001132210321 1375211684 /nfs/dbraw/zinc/21/16/84/1375211684.db2.gz GGOHFNHWYUGFAV-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CC1CCCCCC1 ZINC001132265565 1375254848 /nfs/dbraw/zinc/25/48/48/1375254848.db2.gz OQEQYFJAVMHTDK-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CCCC1CCCC1 ZINC001132269067 1375256547 /nfs/dbraw/zinc/25/65/47/1375256547.db2.gz DVDJFPOPPAKRRK-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@H+]1CCC(C)(C)C ZINC001132310570 1375288237 /nfs/dbraw/zinc/28/82/37/1375288237.db2.gz LUZKUSFMACMSLU-DLBZAZTESA-N 2 1 339.568 3.370 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[NH+]1CCC(C)(C)C ZINC001132310570 1375288243 /nfs/dbraw/zinc/28/82/43/1375288243.db2.gz LUZKUSFMACMSLU-DLBZAZTESA-N 2 1 339.568 3.370 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[NH+]1CCC(C)(C)C ZINC001132310570 1375288247 /nfs/dbraw/zinc/28/82/47/1375288247.db2.gz LUZKUSFMACMSLU-DLBZAZTESA-N 2 1 339.568 3.370 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@H+]1CCC(C)(C)C ZINC001132310575 1375288434 /nfs/dbraw/zinc/28/84/34/1375288434.db2.gz LUZKUSFMACMSLU-SJORKVTESA-N 2 1 339.568 3.370 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[NH+]1CCC(C)(C)C ZINC001132310575 1375288441 /nfs/dbraw/zinc/28/84/41/1375288441.db2.gz LUZKUSFMACMSLU-SJORKVTESA-N 2 1 339.568 3.370 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[NH+]1CCC(C)(C)C ZINC001132310575 1375288450 /nfs/dbraw/zinc/28/84/50/1375288450.db2.gz LUZKUSFMACMSLU-SJORKVTESA-N 2 1 339.568 3.370 20 0 EGADMP CC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132313640 1375291917 /nfs/dbraw/zinc/29/19/17/1375291917.db2.gz BKAHBEIVLWXCTQ-PLQXZHKYSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132313640 1375291921 /nfs/dbraw/zinc/29/19/21/1375291921.db2.gz BKAHBEIVLWXCTQ-PLQXZHKYSA-N 2 1 335.536 3.044 20 0 EGADMP CCc1cccc(C[N@H+]2C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]2C)c1 ZINC001132376143 1375339088 /nfs/dbraw/zinc/33/90/88/1375339088.db2.gz KDYVNDYVBCRNTQ-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132376191 1375339357 /nfs/dbraw/zinc/33/93/57/1375339357.db2.gz KXRLVUDOEZKYSX-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001132381003 1375341186 /nfs/dbraw/zinc/34/11/86/1375341186.db2.gz SXRYSSDXAPQYPV-CQQBRXBZSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(C)cc2C)C1 ZINC001132440900 1375385208 /nfs/dbraw/zinc/38/52/08/1375385208.db2.gz HRYJIOUZHZVVNZ-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C)cc2C)C1 ZINC001132440900 1375385210 /nfs/dbraw/zinc/38/52/10/1375385210.db2.gz HRYJIOUZHZVVNZ-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001132440900 1375385213 /nfs/dbraw/zinc/38/52/13/1375385213.db2.gz HRYJIOUZHZVVNZ-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001132442306 1375387187 /nfs/dbraw/zinc/38/71/87/1375387187.db2.gz ZBARESCDDJQTIK-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132442306 1375387189 /nfs/dbraw/zinc/38/71/89/1375387189.db2.gz ZBARESCDDJQTIK-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132442306 1375387195 /nfs/dbraw/zinc/38/71/95/1375387195.db2.gz ZBARESCDDJQTIK-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001227090914 1375388722 /nfs/dbraw/zinc/38/87/22/1375388722.db2.gz IDIJUIBXSOWECT-GJGSYKPXSA-N 2 1 335.536 3.234 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CC1CCCC1 ZINC001132517498 1375435432 /nfs/dbraw/zinc/43/54/32/1375435432.db2.gz DCQXYTHFFOJXOO-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132519473 1375436685 /nfs/dbraw/zinc/43/66/85/1375436685.db2.gz ZJRDHWWFOAVEAD-WFRZBGSESA-N 2 1 335.536 3.188 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[N@H+]1CC1CCCC1 ZINC001132549311 1375456030 /nfs/dbraw/zinc/45/60/30/1375456030.db2.gz QFLFCNUBMXOBSH-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CCC/C=C/CC[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001227791270 1375474552 /nfs/dbraw/zinc/47/45/52/1375474552.db2.gz BIWRRWULLKLLRE-WRFKIARRSA-N 2 1 344.503 3.088 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001227867214 1375484090 /nfs/dbraw/zinc/48/40/90/1375484090.db2.gz CCYVIYLXGJQARK-FXAWDEMLSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001228039449 1375509099 /nfs/dbraw/zinc/50/90/99/1375509099.db2.gz GYUGXXZPEHGMEU-LJQANCHMSA-N 2 1 345.531 3.449 20 0 EGADMP O=C(NCC[NH2+]CCCC1CCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790610 1375566186 /nfs/dbraw/zinc/56/61/86/1375566186.db2.gz IOJCYTGBGCLNSP-HXUWFJFHSA-N 2 1 349.563 3.460 20 0 EGADMP CC1CC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001228646509 1375626371 /nfs/dbraw/zinc/62/63/71/1375626371.db2.gz GWAQDGCJSYMDEW-OPQOLIRYSA-N 2 1 337.552 3.027 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001228852969 1375694315 /nfs/dbraw/zinc/69/43/15/1375694315.db2.gz MEWAWNPBFREMEM-PJHKVULZSA-N 2 1 346.519 3.380 20 0 EGADMP c1ccc(C[N@@H+]2CCc3ccc(O[C@@H]4C[NH+]5CCC4CC5)nc3C2)cc1 ZINC001229057645 1375753264 /nfs/dbraw/zinc/75/32/64/1375753264.db2.gz LPWVOYJFJANOSY-OAQYLSRUSA-N 2 1 349.478 3.113 20 0 EGADMP c1ccc(C[N@H+]2CCc3ccc(O[C@@H]4C[NH+]5CCC4CC5)nc3C2)cc1 ZINC001229057645 1375753267 /nfs/dbraw/zinc/75/32/67/1375753267.db2.gz LPWVOYJFJANOSY-OAQYLSRUSA-N 2 1 349.478 3.113 20 0 EGADMP C[NH+](C)CC[C@H](Oc1ccc(C(=[NH2+])NO)c(F)c1)c1cccs1 ZINC001229084635 1375760108 /nfs/dbraw/zinc/76/01/08/1375760108.db2.gz VSZDCRXPFCJYMY-AWEZNQCLSA-N 2 1 337.420 3.263 20 0 EGADMP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133122487 1375787466 /nfs/dbraw/zinc/78/74/66/1375787466.db2.gz RNJJPMGNFYNVJR-ZWKOTPCHSA-N 2 1 339.568 3.085 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001133261648 1375876521 /nfs/dbraw/zinc/87/65/21/1375876521.db2.gz BVOLERVPAVUFRZ-ZWKOTPCHSA-N 2 1 339.568 3.229 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133345456 1375933992 /nfs/dbraw/zinc/93/39/92/1375933992.db2.gz CJZIODNXPMIOFS-QUCCMNQESA-N 2 1 349.563 3.291 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+](CC2CCCCCC2)CC1 ZINC001230107779 1375944282 /nfs/dbraw/zinc/94/42/82/1375944282.db2.gz XSNANDTXWJHUOQ-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1F ZINC001230274803 1375980890 /nfs/dbraw/zinc/98/08/90/1375980890.db2.gz MKPBJAAYXDMAJJ-KFKAGJAMSA-N 2 1 349.494 3.244 20 0 EGADMP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001230359984 1376007943 /nfs/dbraw/zinc/00/79/43/1376007943.db2.gz NYGQPTGUZJUBER-RURPWVQCSA-N 2 1 335.536 3.188 20 0 EGADMP CCCCCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001230374259 1376010360 /nfs/dbraw/zinc/01/03/60/1376010360.db2.gz MDBSBJJUYOSGMQ-HXUWFJFHSA-N 2 1 345.531 3.450 20 0 EGADMP Nc1[nH]c2ccc(O[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)cc2[nH+]1 ZINC001230515288 1376049149 /nfs/dbraw/zinc/04/91/49/1376049149.db2.gz ADKSGJQMNADJJP-OXFYSEKESA-N 2 1 348.450 3.435 20 0 EGADMP Nc1[nH]c2cc(O[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)ccc2[nH+]1 ZINC001230515288 1376049157 /nfs/dbraw/zinc/04/91/57/1376049157.db2.gz ADKSGJQMNADJJP-OXFYSEKESA-N 2 1 348.450 3.435 20 0 EGADMP Nc1[nH]c2cc(O[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)ccc2[nH+]1 ZINC001230515288 1376049164 /nfs/dbraw/zinc/04/91/64/1376049164.db2.gz ADKSGJQMNADJJP-OXFYSEKESA-N 2 1 348.450 3.435 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC)CC1)C(C)C ZINC001230611644 1376102314 /nfs/dbraw/zinc/10/23/14/1376102314.db2.gz WXFUNTGZWQMFHV-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232011923 1376381357 /nfs/dbraw/zinc/38/13/57/1376381357.db2.gz PMRDUHTZPJXDRZ-AWEZNQCLSA-N 2 1 344.459 3.394 20 0 EGADMP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232011923 1376381371 /nfs/dbraw/zinc/38/13/71/1376381371.db2.gz PMRDUHTZPJXDRZ-AWEZNQCLSA-N 2 1 344.459 3.394 20 0 EGADMP CN(C[C@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1)C(=O)OC(C)(C)C ZINC001232017769 1376385357 /nfs/dbraw/zinc/38/53/57/1376385357.db2.gz WHYVIKJDAUAMNI-CQSZACIVSA-N 2 1 344.459 3.252 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cnsc3)C[C@H]21 ZINC001232228138 1376420105 /nfs/dbraw/zinc/42/01/05/1376420105.db2.gz MRHPNSXVIMQXCF-BHIYHBOVSA-N 2 1 342.512 3.271 20 0 EGADMP OCCc1ccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1 ZINC001232778027 1376512140 /nfs/dbraw/zinc/51/21/40/1376512140.db2.gz TYOYBZPUBAQKDT-UHFFFAOYSA-N 2 1 328.500 3.062 20 0 EGADMP OCCc1ccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1 ZINC001232778027 1376512142 /nfs/dbraw/zinc/51/21/42/1376512142.db2.gz TYOYBZPUBAQKDT-UHFFFAOYSA-N 2 1 328.500 3.062 20 0 EGADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001233340214 1376620434 /nfs/dbraw/zinc/62/04/34/1376620434.db2.gz SKMITCJGWXIOHI-IRXDYDNUSA-N 2 1 345.487 3.417 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c[nH]c(Br)c2)CC1 ZINC001233436037 1376645583 /nfs/dbraw/zinc/64/55/83/1376645583.db2.gz XGYGEGWZYPPEIX-UHFFFAOYSA-N 2 1 349.276 3.220 20 0 EGADMP Clc1cncc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)n1 ZINC001233448608 1376647902 /nfs/dbraw/zinc/64/79/02/1376647902.db2.gz XHRBBACQQCZWED-UHFFFAOYSA-N 2 1 346.862 3.211 20 0 EGADMP Clc1cncc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)n1 ZINC001233448608 1376647904 /nfs/dbraw/zinc/64/79/04/1376647904.db2.gz XHRBBACQQCZWED-UHFFFAOYSA-N 2 1 346.862 3.211 20 0 EGADMP Clc1cncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)n1 ZINC001233448608 1376647911 /nfs/dbraw/zinc/64/79/11/1376647911.db2.gz XHRBBACQQCZWED-UHFFFAOYSA-N 2 1 346.862 3.211 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001134726600 1376679515 /nfs/dbraw/zinc/67/95/15/1376679515.db2.gz ZYMCSTNCPXGHTJ-HNNXBMFYSA-N 2 1 346.450 3.003 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001134767040 1376709666 /nfs/dbraw/zinc/70/96/66/1376709666.db2.gz QCPIJXJZXRKKSV-LJQANCHMSA-N 2 1 337.552 3.316 20 0 EGADMP FC(F)C(F)(F)Oc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235032517 1376832054 /nfs/dbraw/zinc/83/20/54/1376832054.db2.gz LVRJSLHBMLAVSD-OAHLLOKOSA-N 2 1 332.341 3.109 20 0 EGADMP FC(F)C(F)(F)Oc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235032517 1376832057 /nfs/dbraw/zinc/83/20/57/1376832057.db2.gz LVRJSLHBMLAVSD-OAHLLOKOSA-N 2 1 332.341 3.109 20 0 EGADMP CC(C)CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135021716 1376852459 /nfs/dbraw/zinc/85/24/59/1376852459.db2.gz SCDHYQIHOBVINA-DLBZAZTESA-N 2 1 348.535 3.071 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001135027908 1376856516 /nfs/dbraw/zinc/85/65/16/1376856516.db2.gz ABGCYLWOWIQQRG-JKSUJKDBSA-N 2 1 334.508 3.035 20 0 EGADMP Clc1ccc(-c2cccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)nc1 ZINC001235190465 1376857291 /nfs/dbraw/zinc/85/72/91/1376857291.db2.gz ISAVLFDSRHOKRB-SJORKVTESA-N 2 1 327.859 3.443 20 0 EGADMP FC(F)(F)Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235339278 1376867938 /nfs/dbraw/zinc/86/79/38/1376867938.db2.gz FGJLEEDWEZOOQA-SNVBAGLBSA-N 2 1 334.769 3.280 20 0 EGADMP FC(F)(F)Oc1cccc(Cl)c1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235339271 1376868126 /nfs/dbraw/zinc/86/81/26/1376868126.db2.gz FGJLEEDWEZOOQA-JTQLQIEISA-N 2 1 334.769 3.280 20 0 EGADMP Cc1nccn1-c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427711 1376870241 /nfs/dbraw/zinc/87/02/41/1376870241.db2.gz MYUGPYYZFKSVKR-UXHICEINSA-N 2 1 338.499 3.392 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427711 1376870246 /nfs/dbraw/zinc/87/02/46/1376870246.db2.gz MYUGPYYZFKSVKR-UXHICEINSA-N 3 1 338.499 3.392 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427711 1376870252 /nfs/dbraw/zinc/87/02/52/1376870252.db2.gz MYUGPYYZFKSVKR-UXHICEINSA-N 3 1 338.499 3.392 20 0 EGADMP CCOC(=O)c1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235428819 1376870575 /nfs/dbraw/zinc/87/05/75/1376870575.db2.gz RFLXVEQPEROCFQ-SJORKVTESA-N 2 1 330.472 3.075 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC001235429758 1376870793 /nfs/dbraw/zinc/87/07/93/1376870793.db2.gz ZLHRXOFMJYBFMS-IAGOWNOFSA-N 2 1 347.503 3.020 20 0 EGADMP Clc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1OCO2 ZINC001235430440 1376872434 /nfs/dbraw/zinc/87/24/34/1376872434.db2.gz SYVXDTPKHYCBIK-HUUCEWRRSA-N 2 1 336.863 3.280 20 0 EGADMP CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCCC1)[NH+](C)C ZINC001235589835 1376877064 /nfs/dbraw/zinc/87/70/64/1376877064.db2.gz VBJYRXSTRIIWKF-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135076351 1376880987 /nfs/dbraw/zinc/88/09/87/1376880987.db2.gz AOMAGLZSOPMAKJ-DLBZAZTESA-N 2 1 337.552 3.314 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)C2)cc1 ZINC001235883812 1376910153 /nfs/dbraw/zinc/91/01/53/1376910153.db2.gz PSZHWPDKQMQEFB-RBBKRZOGSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(CN2CCC[C@@H](C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)C2)cc1 ZINC001235883812 1376910161 /nfs/dbraw/zinc/91/01/61/1376910161.db2.gz PSZHWPDKQMQEFB-RBBKRZOGSA-N 2 1 341.543 3.363 20 0 EGADMP Clc1ccc([C@@H]2COCC[N@@H+]2CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001236182027 1376940252 /nfs/dbraw/zinc/94/02/52/1376940252.db2.gz MRFLQUNWKMSVHP-SFHVURJKSA-N 2 1 334.891 3.493 20 0 EGADMP Clc1ccc([C@@H]2COCC[N@H+]2CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001236182027 1376940260 /nfs/dbraw/zinc/94/02/60/1376940260.db2.gz MRFLQUNWKMSVHP-SFHVURJKSA-N 2 1 334.891 3.493 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236252900 1376946438 /nfs/dbraw/zinc/94/64/38/1376946438.db2.gz BXJBANBJEMBUED-QHCPKHFHSA-N 2 1 349.522 3.429 20 0 EGADMP CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236252900 1376946480 /nfs/dbraw/zinc/94/64/80/1376946480.db2.gz BXJBANBJEMBUED-QHCPKHFHSA-N 2 1 349.522 3.429 20 0 EGADMP CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236252900 1376946489 /nfs/dbraw/zinc/94/64/89/1376946489.db2.gz BXJBANBJEMBUED-QHCPKHFHSA-N 2 1 349.522 3.429 20 0 EGADMP CC[N@@H+](Cc1cc2c(s1)C[NH2+]CC2)Cc1ccc2c(c1)OCO2 ZINC001236662132 1376960394 /nfs/dbraw/zinc/96/03/94/1376960394.db2.gz INEFNRXBWAGNSM-UHFFFAOYSA-N 2 1 330.453 3.145 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1-c1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001241249977 1377019715 /nfs/dbraw/zinc/01/97/15/1377019715.db2.gz CBDAGJFOWSUYSJ-UHFFFAOYSA-N 3 1 338.499 3.294 20 0 EGADMP NCC[N@@H+]([C@@H]1CCC[C@]2(CC[NH2+]C2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246292375 1377051242 /nfs/dbraw/zinc/05/12/42/1377051242.db2.gz VYBRPPAIQOANRP-ATUZJQTBSA-N 2 1 331.548 3.138 20 0 EGADMP CC(C)[C@H]1C[C@@H]([N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)CC[NH2+]1 ZINC001246728026 1377053551 /nfs/dbraw/zinc/05/35/51/1377053551.db2.gz JNUWRLHUFFZZPV-MTQWCTHYSA-N 2 1 341.499 3.033 20 0 EGADMP C[C@@H]1C[C@@H](N2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CC[NH2+]1 ZINC001246755223 1377054232 /nfs/dbraw/zinc/05/42/32/1377054232.db2.gz HSXINISIGMDDPD-SJORKVTESA-N 2 1 333.545 3.177 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)CC[NH2+]1 ZINC001246755223 1377054234 /nfs/dbraw/zinc/05/42/34/1377054234.db2.gz HSXINISIGMDDPD-SJORKVTESA-N 3 1 333.545 3.177 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CC[NH2+]1 ZINC001246755223 1377054237 /nfs/dbraw/zinc/05/42/37/1377054237.db2.gz HSXINISIGMDDPD-SJORKVTESA-N 3 1 333.545 3.177 20 0 EGADMP C[C@@H]1CC[C@H]([NH3+])CN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246819992 1377055064 /nfs/dbraw/zinc/05/50/64/1377055064.db2.gz HIHNUXSCURNAEC-KPACCLEDSA-N 2 1 327.516 3.384 20 0 EGADMP CC(C)(C)[C@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH2+]1 ZINC001246821067 1377055400 /nfs/dbraw/zinc/05/54/00/1377055400.db2.gz ICLMPKCWXDEFAJ-LWYYNNOASA-N 2 1 327.516 3.112 20 0 EGADMP CC(C)(C)[C@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)CC[NH2+]1 ZINC001246821067 1377055402 /nfs/dbraw/zinc/05/54/02/1377055402.db2.gz ICLMPKCWXDEFAJ-LWYYNNOASA-N 2 1 327.516 3.112 20 0 EGADMP CC(C)(C)[C@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)CC[NH2+]1 ZINC001246821067 1377055405 /nfs/dbraw/zinc/05/54/05/1377055405.db2.gz ICLMPKCWXDEFAJ-LWYYNNOASA-N 2 1 327.516 3.112 20 0 EGADMP Fc1cccc(C[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)[C@@H]2CCC[NH2+]C2)c1 ZINC001246937509 1377056312 /nfs/dbraw/zinc/05/63/12/1377056312.db2.gz PJPHGQFWFHNAJL-WOJBJXKFSA-N 3 1 345.506 3.302 20 0 EGADMP Fc1cccc(C[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)[C@@H]2CCC[NH2+]C2)c1 ZINC001246937509 1377056314 /nfs/dbraw/zinc/05/63/14/1377056314.db2.gz PJPHGQFWFHNAJL-WOJBJXKFSA-N 3 1 345.506 3.302 20 0 EGADMP O[C@]1(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252932685 1377093284 /nfs/dbraw/zinc/09/32/84/1377093284.db2.gz WDVCSNNBZRQCRQ-CTNGQTDRSA-N 2 1 346.490 3.228 20 0 EGADMP O[C@]1(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252932685 1377093288 /nfs/dbraw/zinc/09/32/88/1377093288.db2.gz WDVCSNNBZRQCRQ-CTNGQTDRSA-N 2 1 346.490 3.228 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc(Cl)s1 ZINC001135436814 1377096918 /nfs/dbraw/zinc/09/69/18/1377096918.db2.gz ARSFLZWRTZAJSB-UHFFFAOYSA-N 2 1 345.940 3.119 20 0 EGADMP CC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[NH+](C)CC1 ZINC001254529241 1377107060 /nfs/dbraw/zinc/10/70/60/1377107060.db2.gz FKVGWRMHKJJEDM-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254529241 1377107063 /nfs/dbraw/zinc/10/70/63/1377107063.db2.gz FKVGWRMHKJJEDM-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254529241 1377107065 /nfs/dbraw/zinc/10/70/65/1377107065.db2.gz FKVGWRMHKJJEDM-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1)[NH2+]CC1CCCCC1 ZINC001135476195 1377110588 /nfs/dbraw/zinc/11/05/88/1377110588.db2.gz JFMIYGWXCAPALF-SJORKVTESA-N 2 1 337.552 3.172 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC1=CCCCC1 ZINC001135478106 1377111861 /nfs/dbraw/zinc/11/18/61/1377111861.db2.gz ZANTVIUHVPVNQV-SJORKVTESA-N 2 1 337.552 3.338 20 0 EGADMP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135480330 1377112136 /nfs/dbraw/zinc/11/21/36/1377112136.db2.gz ASZOQDGABKNEPR-DLBZAZTESA-N 2 1 327.557 3.418 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]C/C=C/Cl ZINC001135600761 1377159179 /nfs/dbraw/zinc/15/91/79/1377159179.db2.gz MPZGTLUFQZYUHL-ZWXLGZMVSA-N 2 1 340.899 3.022 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1 ZINC001135678444 1377181363 /nfs/dbraw/zinc/18/13/63/1377181363.db2.gz FIXFVPJCDYZKKV-SJORKVTESA-N 2 1 342.487 3.045 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC1 ZINC001135691630 1377185507 /nfs/dbraw/zinc/18/55/07/1377185507.db2.gz XTTVNSUISVTQTK-DLBZAZTESA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001266246866 1377245401 /nfs/dbraw/zinc/24/54/01/1377245401.db2.gz XVLPPFKQLAVSEB-LJQANCHMSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CCC1CCCC1 ZINC001266282590 1377258369 /nfs/dbraw/zinc/25/83/69/1377258369.db2.gz IIJKEVNZOVSVKV-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CCC1CCCC1 ZINC001266282590 1377258373 /nfs/dbraw/zinc/25/83/73/1377258373.db2.gz IIJKEVNZOVSVKV-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)CCC1CCCC1 ZINC001266282590 1377258377 /nfs/dbraw/zinc/25/83/77/1377258377.db2.gz IIJKEVNZOVSVKV-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001266332239 1377277897 /nfs/dbraw/zinc/27/78/97/1377277897.db2.gz ICIYJNNFATZLDJ-SFHVURJKSA-N 2 1 342.487 3.206 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001266332239 1377277899 /nfs/dbraw/zinc/27/78/99/1377277899.db2.gz ICIYJNNFATZLDJ-SFHVURJKSA-N 2 1 342.487 3.206 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001135977790 1377284794 /nfs/dbraw/zinc/28/47/94/1377284794.db2.gz ZFUQWTQHKILWNO-HOTGVXAUSA-N 2 1 345.487 3.148 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001135980536 1377286347 /nfs/dbraw/zinc/28/63/47/1377286347.db2.gz PPMKDANNEWQZOO-SJORKVTESA-N 2 1 345.531 3.279 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135995673 1377292328 /nfs/dbraw/zinc/29/23/28/1377292328.db2.gz JFOJGHIIPBUVRG-RTBURBONSA-N 2 1 347.547 3.408 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CCCC(C)(C)C)C2)c1 ZINC001266361000 1377295767 /nfs/dbraw/zinc/29/57/67/1377295767.db2.gz HKNFPDTUHNWHRZ-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)[NH+]2CCCC2)cc1 ZINC001136479584 1377397095 /nfs/dbraw/zinc/39/70/95/1377397095.db2.gz OHOJENNPJZMTLS-OALUTQOASA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2ccccc2-n2cccn2)C1 ZINC001137102407 1377478104 /nfs/dbraw/zinc/47/81/04/1377478104.db2.gz UJFKPNSINDFONE-SFHVURJKSA-N 2 1 334.423 3.229 20 0 EGADMP CC[C@H](C(=O)NC1C[NH+](CC2CCC(C)(C)CC2)C1)[NH+](CC)CC ZINC001268446006 1377508547 /nfs/dbraw/zinc/50/85/47/1377508547.db2.gz DBRHQECEZISAQS-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP Clc1ncccc1C[N@@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001137423854 1377546410 /nfs/dbraw/zinc/54/64/10/1377546410.db2.gz VRPIMPWGJMYOAD-AEFFLSMTSA-N 2 1 342.874 3.084 20 0 EGADMP Clc1ncccc1C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001137423854 1377546411 /nfs/dbraw/zinc/54/64/11/1377546411.db2.gz VRPIMPWGJMYOAD-AEFFLSMTSA-N 2 1 342.874 3.084 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2)[NH+]1[C@H](C)CC[C@H]1C ZINC001137992903 1377660408 /nfs/dbraw/zinc/66/04/08/1377660408.db2.gz TVZPCNPYGJOUEU-KFWWJZLASA-N 2 1 327.472 3.364 20 0 EGADMP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC001272179181 1377660413 /nfs/dbraw/zinc/66/04/13/1377660413.db2.gz ZJDWGBXSGYOQPU-HXUWFJFHSA-N 2 1 345.531 3.087 20 0 EGADMP COc1cccc(F)c1C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001138382545 1377712680 /nfs/dbraw/zinc/71/26/80/1377712680.db2.gz NZYIIWQLZAYCQQ-UHFFFAOYSA-N 2 1 329.419 3.277 20 0 EGADMP Cc1nccn1-c1ccc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC001138547898 1377740102 /nfs/dbraw/zinc/74/01/02/1377740102.db2.gz VUEPSDZRLBENKL-SFHVURJKSA-N 2 1 341.455 3.487 20 0 EGADMP CCn1nc(C)c(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1C ZINC001138642651 1377761008 /nfs/dbraw/zinc/76/10/08/1377761008.db2.gz ITVCOVMTIZNEDA-CALCHBBNSA-N 2 1 344.528 3.145 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC(F)(F)C(C)(C)C2)cc1 ZINC001138768990 1377782342 /nfs/dbraw/zinc/78/23/42/1377782342.db2.gz HBBDHMFAMBWZKW-UHFFFAOYSA-N 2 1 326.431 3.494 20 0 EGADMP COc1ccc(CC[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001138772445 1377782352 /nfs/dbraw/zinc/78/23/52/1377782352.db2.gz NLCIOJVFLXWXQR-UHFFFAOYSA-N 2 1 342.483 3.310 20 0 EGADMP c1cc2cc(C[N@H+]3C[C@H]4CN(Cc5ccccn5)C[C@H]4C3)ccc2o1 ZINC001138823172 1377792062 /nfs/dbraw/zinc/79/20/62/1377792062.db2.gz QVQBTESKODBKPJ-KDURUIRLSA-N 2 1 333.435 3.392 20 0 EGADMP CC1(C)C[N@@H+](Cc2cccc(CN3CCOCC3)c2)CCC1(F)F ZINC001139055064 1377822532 /nfs/dbraw/zinc/82/25/32/1377822532.db2.gz JKMNOKAAEOJWTR-UHFFFAOYSA-N 2 1 338.442 3.386 20 0 EGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2C1 ZINC001139082889 1377826712 /nfs/dbraw/zinc/82/67/12/1377826712.db2.gz DQRRXJRWUNXNIJ-ROUUACIJSA-N 2 1 338.455 3.043 20 0 EGADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[NH+]1CCCCCC1 ZINC001139362009 1377874290 /nfs/dbraw/zinc/87/42/90/1377874290.db2.gz SGNJWOQMFCJFLR-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP Cn1ncc2cc(C[N@@H+](C)Cc3ccc(-n4ccnc4)cc3)ccc21 ZINC001139958277 1377983713 /nfs/dbraw/zinc/98/37/13/1377983713.db2.gz XQYNROBAKBLWET-UHFFFAOYSA-N 2 1 331.423 3.391 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CN1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001140026298 1377991758 /nfs/dbraw/zinc/99/17/58/1377991758.db2.gz XJBOQYBKECWRSP-UHFFFAOYSA-N 2 1 336.483 3.098 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CN1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001140026298 1377991759 /nfs/dbraw/zinc/99/17/59/1377991759.db2.gz XJBOQYBKECWRSP-UHFFFAOYSA-N 2 1 336.483 3.098 20 0 EGADMP CC[NH+](CC)C1CC[NH+](Cc2ccccc2-c2cnc(N)nc2)CC1 ZINC001140322853 1378045499 /nfs/dbraw/zinc/04/54/99/1378045499.db2.gz AAQGFDMSHAMYCE-UHFFFAOYSA-N 2 1 339.487 3.032 20 0 EGADMP c1[nH]nc2ccc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc12 ZINC001140386596 1378055296 /nfs/dbraw/zinc/05/52/96/1378055296.db2.gz SVESRFXQKOAFOB-PMACEKPBSA-N 2 1 332.451 3.127 20 0 EGADMP CC/C=C\CCCCC[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273134760 1378089989 /nfs/dbraw/zinc/08/99/89/1378089989.db2.gz KRPXESLAQPFECJ-PRPIBZDOSA-N 2 1 335.536 3.142 20 0 EGADMP Cc1cc(F)ccc1C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001140777566 1378134000 /nfs/dbraw/zinc/13/40/00/1378134000.db2.gz DLIVSKWUQCADKH-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1cc(F)ccc1C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001140777566 1378134001 /nfs/dbraw/zinc/13/40/01/1378134001.db2.gz DLIVSKWUQCADKH-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001140777566 1378134002 /nfs/dbraw/zinc/13/40/02/1378134002.db2.gz DLIVSKWUQCADKH-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001140777566 1378134003 /nfs/dbraw/zinc/13/40/03/1378134003.db2.gz DLIVSKWUQCADKH-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP CCOC[C@H]1COCCC12CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140803787 1378140342 /nfs/dbraw/zinc/14/03/42/1378140342.db2.gz WNBWCICIIMQPFY-KRWDZBQOSA-N 2 1 343.471 3.218 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CN1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001275895424 1378161581 /nfs/dbraw/zinc/16/15/81/1378161581.db2.gz SIAPNDZZKVUMJK-UHFFFAOYSA-N 2 1 336.483 3.241 20 0 EGADMP C[N@H+]1CC[C@@]2(C1)CCCN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C2 ZINC001276492583 1378175956 /nfs/dbraw/zinc/17/59/56/1378175956.db2.gz WMJSZYFZZPCFPW-FGZHOGPDSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCCN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C2 ZINC001276492583 1378175957 /nfs/dbraw/zinc/17/59/57/1378175957.db2.gz WMJSZYFZZPCFPW-FGZHOGPDSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCCN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C2 ZINC001276492583 1378175960 /nfs/dbraw/zinc/17/59/60/1378175960.db2.gz WMJSZYFZZPCFPW-FGZHOGPDSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+](Cc2ccco2)C2CC2)CC1 ZINC001140974706 1378198025 /nfs/dbraw/zinc/19/80/25/1378198025.db2.gz HUZSHDBKVUKQMX-UHFFFAOYSA-N 2 1 325.456 3.196 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@@H+](Cc2ccco2)C2CC2)CC1 ZINC001140974706 1378198029 /nfs/dbraw/zinc/19/80/29/1378198029.db2.gz HUZSHDBKVUKQMX-UHFFFAOYSA-N 2 1 325.456 3.196 20 0 EGADMP CCOc1cc(OC)ccc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001277123092 1378205442 /nfs/dbraw/zinc/20/54/42/1378205442.db2.gz WULMKHRPBWDSBR-UHFFFAOYSA-N 2 1 332.488 3.402 20 0 EGADMP COC(C)(C)C[N@@H+]1CCC[C@]2(CC[NH+](Cc3scnc3C)C2)C1 ZINC001277584194 1378234893 /nfs/dbraw/zinc/23/48/93/1378234893.db2.gz BYEGWRJNVBSCCC-GOSISDBHSA-N 2 1 337.533 3.164 20 0 EGADMP COC(C)(C)C[N@H+]1CCC[C@]2(CC[NH+](Cc3scnc3C)C2)C1 ZINC001277584194 1378234898 /nfs/dbraw/zinc/23/48/98/1378234898.db2.gz BYEGWRJNVBSCCC-GOSISDBHSA-N 2 1 337.533 3.164 20 0 EGADMP COC(C)(C)C[NH+]1CCC[C@]2(CC[N@H+](Cc3scnc3C)C2)C1 ZINC001277584194 1378234902 /nfs/dbraw/zinc/23/49/02/1378234902.db2.gz BYEGWRJNVBSCCC-GOSISDBHSA-N 2 1 337.533 3.164 20 0 EGADMP COC(C)(C)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3scnc3C)C2)C1 ZINC001277584194 1378234910 /nfs/dbraw/zinc/23/49/10/1378234910.db2.gz BYEGWRJNVBSCCC-GOSISDBHSA-N 2 1 337.533 3.164 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccnc(-c4ccc(F)cc4)c3)C[C@@H]2C1 ZINC001141117214 1378243747 /nfs/dbraw/zinc/24/37/47/1378243747.db2.gz XLGVHSKHZOCMLC-MSOLQXFVSA-N 2 1 325.431 3.271 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccnc(-c4ccc(F)cc4)c3)C[C@@H]2C1 ZINC001141117214 1378243751 /nfs/dbraw/zinc/24/37/51/1378243751.db2.gz XLGVHSKHZOCMLC-MSOLQXFVSA-N 2 1 325.431 3.271 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccnc(-c4ccc(F)cc4)c3)C[C@@H]2C1 ZINC001141117214 1378243753 /nfs/dbraw/zinc/24/37/53/1378243753.db2.gz XLGVHSKHZOCMLC-MSOLQXFVSA-N 2 1 325.431 3.271 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001278450661 1378271099 /nfs/dbraw/zinc/27/10/99/1378271099.db2.gz RTKWSPIEPQVTLT-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cnc(C(F)(F)F)nc1 ZINC001141465023 1378328643 /nfs/dbraw/zinc/32/86/43/1378328643.db2.gz UPGYZEXVTBCRBK-LSDHHAIUSA-N 2 1 342.409 3.334 20 0 EGADMP Cn1cc2c(cccc2C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001142464995 1378445065 /nfs/dbraw/zinc/44/50/65/1378445065.db2.gz JXZURLYXDAVUNC-ZWKOTPCHSA-N 2 1 326.488 3.412 20 0 EGADMP Cn1cc2c(cccc2C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)n1 ZINC001142464995 1378445069 /nfs/dbraw/zinc/44/50/69/1378445069.db2.gz JXZURLYXDAVUNC-ZWKOTPCHSA-N 2 1 326.488 3.412 20 0 EGADMP Cn1cc2c(cccc2C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)n1 ZINC001142464995 1378445073 /nfs/dbraw/zinc/44/50/73/1378445073.db2.gz JXZURLYXDAVUNC-ZWKOTPCHSA-N 2 1 326.488 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001142623354 1378465776 /nfs/dbraw/zinc/46/57/76/1378465776.db2.gz ZKNZRGXNKWUWBG-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1scc2c1OCCO2 ZINC001143191293 1378557103 /nfs/dbraw/zinc/55/71/03/1378557103.db2.gz ZRNMFEHHYBPXQD-LSDHHAIUSA-N 2 1 336.501 3.358 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1scc2c1OCCO2 ZINC001143191293 1378557106 /nfs/dbraw/zinc/55/71/06/1378557106.db2.gz ZRNMFEHHYBPXQD-LSDHHAIUSA-N 2 1 336.501 3.358 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1scc2c1OCCO2 ZINC001143191293 1378557108 /nfs/dbraw/zinc/55/71/08/1378557108.db2.gz ZRNMFEHHYBPXQD-LSDHHAIUSA-N 2 1 336.501 3.358 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1scc2c1OCCO2 ZINC001143191293 1378557113 /nfs/dbraw/zinc/55/71/13/1378557113.db2.gz ZRNMFEHHYBPXQD-LSDHHAIUSA-N 2 1 336.501 3.358 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001146334592 1378819797 /nfs/dbraw/zinc/81/97/97/1378819797.db2.gz YBFIUCZZAFGRSC-HOTGVXAUSA-N 2 1 334.508 3.035 20 0 EGADMP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1C ZINC001146593896 1378873411 /nfs/dbraw/zinc/87/34/11/1378873411.db2.gz RDFMGBRRELMANL-QZTJIDSGSA-N 2 1 333.520 3.017 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001147358332 1379008508 /nfs/dbraw/zinc/00/85/08/1379008508.db2.gz GFLBUJWMZNDMSO-HXUWFJFHSA-N 2 1 345.531 3.164 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001147359192 1379009403 /nfs/dbraw/zinc/00/94/03/1379009403.db2.gz NPOHRLBGEUAODY-LJQANCHMSA-N 2 1 335.536 3.237 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148386679 1379161550 /nfs/dbraw/zinc/16/15/50/1379161550.db2.gz YMORYJYOOUHWLF-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001148386679 1379161553 /nfs/dbraw/zinc/16/15/53/1379161553.db2.gz YMORYJYOOUHWLF-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001148386679 1379161559 /nfs/dbraw/zinc/16/15/59/1379161559.db2.gz YMORYJYOOUHWLF-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)CC(C)C)C2 ZINC001148833565 1379279132 /nfs/dbraw/zinc/27/91/32/1379279132.db2.gz ALNPLSHLFYCIEI-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@H](C)CC(C)C)C2 ZINC001148833565 1379279134 /nfs/dbraw/zinc/27/91/34/1379279134.db2.gz ALNPLSHLFYCIEI-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@H](C)CC(C)C)C2 ZINC001148833565 1379279136 /nfs/dbraw/zinc/27/91/36/1379279136.db2.gz ALNPLSHLFYCIEI-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001327925913 1388625313 /nfs/dbraw/zinc/62/53/13/1388625313.db2.gz PZNADZMKJZOIGP-FXAWDEMLSA-N 2 1 345.531 3.088 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001152432566 1379933565 /nfs/dbraw/zinc/93/35/65/1379933565.db2.gz LCNMOZYWVMYQAH-MRXNPFEDSA-N 2 1 333.520 3.091 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001152458379 1379936920 /nfs/dbraw/zinc/93/69/20/1379936920.db2.gz OLUPCFWFCQWTLQ-XLIONFOSSA-N 2 1 345.531 3.451 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC001152528317 1379945609 /nfs/dbraw/zinc/94/56/09/1379945609.db2.gz DBUQXSOWKYYQHA-YLJYHZDGSA-N 2 1 339.483 3.065 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313503 1380054238 /nfs/dbraw/zinc/05/42/38/1380054238.db2.gz UBLBAOAQBDKUGW-MJGOQNOKSA-N 2 1 335.536 3.186 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153313503 1380054240 /nfs/dbraw/zinc/05/42/40/1380054240.db2.gz UBLBAOAQBDKUGW-MJGOQNOKSA-N 2 1 335.536 3.186 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153313503 1380054244 /nfs/dbraw/zinc/05/42/44/1380054244.db2.gz UBLBAOAQBDKUGW-MJGOQNOKSA-N 2 1 335.536 3.186 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@H+](CC)CCC(C)C ZINC001153445739 1380078290 /nfs/dbraw/zinc/07/82/90/1380078290.db2.gz IHYIPERJCUMNTC-IAGOWNOFSA-N 2 1 336.524 3.269 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C ZINC001153445739 1380078296 /nfs/dbraw/zinc/07/82/96/1380078296.db2.gz IHYIPERJCUMNTC-IAGOWNOFSA-N 2 1 336.524 3.269 20 0 EGADMP CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153819091 1380136187 /nfs/dbraw/zinc/13/61/87/1380136187.db2.gz NDIRZKWVUKBGBR-MSOLQXFVSA-N 2 1 343.531 3.216 20 0 EGADMP CC[NH+](CCCCCF)[C@H](C)CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001153819091 1380136188 /nfs/dbraw/zinc/13/61/88/1380136188.db2.gz NDIRZKWVUKBGBR-MSOLQXFVSA-N 2 1 343.531 3.216 20 0 EGADMP CC[NH+](CCCCCF)[C@H](C)CNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001153819091 1380136189 /nfs/dbraw/zinc/13/61/89/1380136189.db2.gz NDIRZKWVUKBGBR-MSOLQXFVSA-N 2 1 343.531 3.216 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990933 1380172300 /nfs/dbraw/zinc/17/23/00/1380172300.db2.gz YBQJWHBKGDRCRN-QGZVFWFLSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116297 1380211935 /nfs/dbraw/zinc/21/19/35/1380211935.db2.gz GSJQVZNQYRVMMB-KXPUMZMLSA-N 2 1 342.487 3.439 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178429 1380222199 /nfs/dbraw/zinc/22/21/99/1380222199.db2.gz IUQIWWNQCAMPGD-MRXNPFEDSA-N 2 1 342.487 3.355 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154464098 1380282587 /nfs/dbraw/zinc/28/25/87/1380282587.db2.gz DFRWOOWRKZTDRQ-QGZVFWFLSA-N 2 1 325.541 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC2CCCC2)C1 ZINC001154784849 1380350660 /nfs/dbraw/zinc/35/06/60/1380350660.db2.gz NHCATHSQEKYQRO-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC2CCCC2)C1 ZINC001154784849 1380350663 /nfs/dbraw/zinc/35/06/63/1380350663.db2.gz NHCATHSQEKYQRO-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC2CCCC2)C1 ZINC001154784849 1380350665 /nfs/dbraw/zinc/35/06/65/1380350665.db2.gz NHCATHSQEKYQRO-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888595 1380373023 /nfs/dbraw/zinc/37/30/23/1380373023.db2.gz SJYBRGGXGWZIOC-OAHLLOKOSA-N 2 1 337.508 3.218 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H](Nc2[nH+]cnc3c2ccn3Cc2ccc(F)cc2)C1 ZINC001154986386 1380384955 /nfs/dbraw/zinc/38/49/55/1380384955.db2.gz SDSJYAIHTJAQQK-HZPDHXFCSA-N 2 1 339.418 3.301 20 0 EGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226654 1380426809 /nfs/dbraw/zinc/42/68/09/1380426809.db2.gz MDZIBAFJGYVIBC-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155226654 1380426810 /nfs/dbraw/zinc/42/68/10/1380426810.db2.gz MDZIBAFJGYVIBC-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155226654 1380426811 /nfs/dbraw/zinc/42/68/11/1380426811.db2.gz MDZIBAFJGYVIBC-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255275 1380429522 /nfs/dbraw/zinc/42/95/22/1380429522.db2.gz PQGXRNDDZFEQQJ-ZWKOTPCHSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001155255275 1380429523 /nfs/dbraw/zinc/42/95/23/1380429523.db2.gz PQGXRNDDZFEQQJ-ZWKOTPCHSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001155255275 1380429524 /nfs/dbraw/zinc/42/95/24/1380429524.db2.gz PQGXRNDDZFEQQJ-ZWKOTPCHSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCCCC1)[NH+](C)C ZINC001155289110 1380433650 /nfs/dbraw/zinc/43/36/50/1380433650.db2.gz KCJGVKIFMDMDLP-AEFFLSMTSA-N 2 1 325.541 3.124 20 0 EGADMP COc1ccc2c(C)cc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)[nH+]c2c1 ZINC001155597282 1380471704 /nfs/dbraw/zinc/47/17/04/1380471704.db2.gz LGPUHZQGURNZIY-YWZLYKJASA-N 2 1 341.455 3.122 20 0 EGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631550 1380476606 /nfs/dbraw/zinc/47/66/06/1380476606.db2.gz STJYKARMUUDIMU-GOSISDBHSA-N 2 1 349.563 3.435 20 0 EGADMP CC[NH+](Cc1sccc1Cl)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156200486 1380540814 /nfs/dbraw/zinc/54/08/14/1380540814.db2.gz NZUQJZLSUJGISJ-CYBMUJFWSA-N 2 1 345.940 3.070 20 0 EGADMP CC[NH+](Cc1sccc1Cl)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156200486 1380540816 /nfs/dbraw/zinc/54/08/16/1380540816.db2.gz NZUQJZLSUJGISJ-CYBMUJFWSA-N 2 1 345.940 3.070 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1sccc1Cl ZINC001156200486 1380540817 /nfs/dbraw/zinc/54/08/17/1380540817.db2.gz NZUQJZLSUJGISJ-CYBMUJFWSA-N 2 1 345.940 3.070 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1sccc1Cl ZINC001156200486 1380540819 /nfs/dbraw/zinc/54/08/19/1380540819.db2.gz NZUQJZLSUJGISJ-CYBMUJFWSA-N 2 1 345.940 3.070 20 0 EGADMP Cc1[nH+]c(NCc2ccc(C[NH+]3CCOCC3)cc2)cc2[nH]ccc21 ZINC001156391868 1380570635 /nfs/dbraw/zinc/57/06/35/1380570635.db2.gz AGGOEUCEQIRGQF-UHFFFAOYSA-N 2 1 336.439 3.316 20 0 EGADMP CC[N@@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428385 1380574917 /nfs/dbraw/zinc/57/49/17/1380574917.db2.gz MVRSARAOQIQJAX-DLBZAZTESA-N 2 1 348.535 3.270 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1cc(C)cc(C)c1 ZINC001156510108 1380586112 /nfs/dbraw/zinc/58/61/12/1380586112.db2.gz HVXJTEWWAWQVOY-LJQANCHMSA-N 2 1 347.547 3.362 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C)cc(C)c1 ZINC001156510108 1380586114 /nfs/dbraw/zinc/58/61/14/1380586114.db2.gz HVXJTEWWAWQVOY-LJQANCHMSA-N 2 1 347.547 3.362 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C)cc(C)c1 ZINC001156510108 1380586116 /nfs/dbraw/zinc/58/61/16/1380586116.db2.gz HVXJTEWWAWQVOY-LJQANCHMSA-N 2 1 347.547 3.362 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)C[C@H](C)CC(C)C ZINC001156516972 1380587328 /nfs/dbraw/zinc/58/73/28/1380587328.db2.gz KXSRWXCOBIWSRE-QZTJIDSGSA-N 2 1 327.557 3.227 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)C[C@H](C)CC(C)C ZINC001156516972 1380587331 /nfs/dbraw/zinc/58/73/31/1380587331.db2.gz KXSRWXCOBIWSRE-QZTJIDSGSA-N 2 1 327.557 3.227 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](C)CC(C)C ZINC001156516972 1380587334 /nfs/dbraw/zinc/58/73/34/1380587334.db2.gz KXSRWXCOBIWSRE-QZTJIDSGSA-N 2 1 327.557 3.227 20 0 EGADMP CC[N@@H+](CC1CC(C)C1)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156967489 1380738900 /nfs/dbraw/zinc/73/89/00/1380738900.db2.gz ZGTHWMQHHATZDB-JLAWEPINSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098570 1380775210 /nfs/dbraw/zinc/77/52/10/1380775210.db2.gz MDILUOVFIMILGC-RTBURBONSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157112864 1380778607 /nfs/dbraw/zinc/77/86/07/1380778607.db2.gz BCQKWXPYVQTEEO-OAHLLOKOSA-N 2 1 339.911 3.007 20 0 EGADMP CC[NH+](Cc1ccc(Cl)cc1)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157112864 1380778612 /nfs/dbraw/zinc/77/86/12/1380778612.db2.gz BCQKWXPYVQTEEO-OAHLLOKOSA-N 2 1 339.911 3.007 20 0 EGADMP CC[NH+](Cc1ccc(Cl)cc1)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157112864 1380778617 /nfs/dbraw/zinc/77/86/17/1380778617.db2.gz BCQKWXPYVQTEEO-OAHLLOKOSA-N 2 1 339.911 3.007 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001157241395 1380821867 /nfs/dbraw/zinc/82/18/67/1380821867.db2.gz PXQWQVFNSCTMKF-MRXNPFEDSA-N 2 1 337.508 3.362 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157255053 1380824688 /nfs/dbraw/zinc/82/46/88/1380824688.db2.gz AARSJHOIZKSYFX-GOSISDBHSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157256266 1380825448 /nfs/dbraw/zinc/82/54/48/1380825448.db2.gz ROGPRKFUEMKYTP-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CCC[NH+](C)[C@@H]3C2)nc1 ZINC001157281262 1380831758 /nfs/dbraw/zinc/83/17/58/1380831758.db2.gz DZFRGJHXGWWVEL-GUDVDZBRSA-N 2 1 328.504 3.159 20 0 EGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)nc1 ZINC001157281262 1380831772 /nfs/dbraw/zinc/83/17/72/1380831772.db2.gz DZFRGJHXGWWVEL-GUDVDZBRSA-N 2 1 328.504 3.159 20 0 EGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)nc1 ZINC001157281262 1380831775 /nfs/dbraw/zinc/83/17/75/1380831775.db2.gz DZFRGJHXGWWVEL-GUDVDZBRSA-N 2 1 328.504 3.159 20 0 EGADMP CCC[NH+]1C[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]2C1 ZINC001157693425 1381004772 /nfs/dbraw/zinc/00/47/72/1381004772.db2.gz ZGLWFKKCQBDNGH-IAGOWNOFSA-N 2 1 348.922 3.109 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001158061551 1381117314 /nfs/dbraw/zinc/11/73/14/1381117314.db2.gz NTFXVIMDCRQFRZ-RBUKOAKNSA-N 2 1 337.552 3.362 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001158061551 1381117319 /nfs/dbraw/zinc/11/73/19/1381117319.db2.gz NTFXVIMDCRQFRZ-RBUKOAKNSA-N 2 1 337.552 3.362 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001158061551 1381117321 /nfs/dbraw/zinc/11/73/21/1381117321.db2.gz NTFXVIMDCRQFRZ-RBUKOAKNSA-N 2 1 337.552 3.362 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](C2CCN(c3nc(Cl)cc4cc(F)ccc43)CC2)C1 ZINC001158257438 1381175268 /nfs/dbraw/zinc/17/52/68/1381175268.db2.gz FEEPQCNLIXXWSN-AWEZNQCLSA-N 2 1 348.853 3.029 20 0 EGADMP [NH3+][C@H]1CC[N@H+](C2CCN(c3nc(Cl)cc4cc(F)ccc43)CC2)C1 ZINC001158257438 1381175271 /nfs/dbraw/zinc/17/52/71/1381175271.db2.gz FEEPQCNLIXXWSN-AWEZNQCLSA-N 2 1 348.853 3.029 20 0 EGADMP COCCn1ccc2c1nc[nH+]c2N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001158263474 1381177455 /nfs/dbraw/zinc/17/74/55/1381177455.db2.gz DHSLJVSQERDWJV-IFXJQAMLSA-N 2 1 345.491 3.033 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158328902 1381201765 /nfs/dbraw/zinc/20/17/65/1381201765.db2.gz DUHGYFKOXPYRJX-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001158328902 1381201770 /nfs/dbraw/zinc/20/17/70/1381201770.db2.gz DUHGYFKOXPYRJX-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001158328902 1381201774 /nfs/dbraw/zinc/20/17/74/1381201774.db2.gz DUHGYFKOXPYRJX-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH2+]C[C@H](C)CC(C)C ZINC001158355066 1381214611 /nfs/dbraw/zinc/21/46/11/1381214611.db2.gz NCYPISQUFBFGRO-SJORKVTESA-N 2 1 336.524 3.175 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccc(F)cc1 ZINC001158412589 1381236661 /nfs/dbraw/zinc/23/66/61/1381236661.db2.gz QEACVHLPIINVRZ-GBESFXJTSA-N 2 1 349.494 3.103 20 0 EGADMP CC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H]1C ZINC001158473917 1381258121 /nfs/dbraw/zinc/25/81/21/1381258121.db2.gz QEGFABPCMYESGT-ZYHOBAKYSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001158473917 1381258124 /nfs/dbraw/zinc/25/81/24/1381258124.db2.gz QEGFABPCMYESGT-ZYHOBAKYSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC001158473917 1381258129 /nfs/dbraw/zinc/25/81/29/1381258129.db2.gz QEGFABPCMYESGT-ZYHOBAKYSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001158549344 1381292670 /nfs/dbraw/zinc/29/26/70/1381292670.db2.gz CMBVNFZABYAIDD-RBUKOAKNSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CCC ZINC001158605222 1381316651 /nfs/dbraw/zinc/31/66/51/1381316651.db2.gz QNOZAZZLIMPKGE-GOSISDBHSA-N 2 1 325.541 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC ZINC001158605222 1381316655 /nfs/dbraw/zinc/31/66/55/1381316655.db2.gz QNOZAZZLIMPKGE-GOSISDBHSA-N 2 1 325.541 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC ZINC001158605222 1381316657 /nfs/dbraw/zinc/31/66/57/1381316657.db2.gz QNOZAZZLIMPKGE-GOSISDBHSA-N 2 1 325.541 3.221 20 0 EGADMP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001158704134 1381359960 /nfs/dbraw/zinc/35/99/60/1381359960.db2.gz DIQTWONGHDZSIO-OLHLWXQYSA-N 2 1 337.552 3.388 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001158704134 1381359963 /nfs/dbraw/zinc/35/99/63/1381359963.db2.gz DIQTWONGHDZSIO-OLHLWXQYSA-N 2 1 337.552 3.388 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001158704134 1381359976 /nfs/dbraw/zinc/35/99/76/1381359976.db2.gz DIQTWONGHDZSIO-OLHLWXQYSA-N 2 1 337.552 3.388 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158763622 1381388181 /nfs/dbraw/zinc/38/81/81/1381388181.db2.gz HCTYFSWVVOFANJ-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158768285 1381391527 /nfs/dbraw/zinc/39/15/27/1381391527.db2.gz REKJAZKTXVGIBD-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001159908751 1381934674 /nfs/dbraw/zinc/93/46/74/1381934674.db2.gz JVELLMUQWHRZQN-QFBILLFUSA-N 2 1 349.494 3.246 20 0 EGADMP O=C(NCCC[NH2+]CC1CC2(CCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159915240 1381936113 /nfs/dbraw/zinc/93/61/13/1381936113.db2.gz HYGSFEDBDAYTKW-IBGZPJMESA-N 2 1 347.547 3.070 20 0 EGADMP C[N@@H+](CC(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1)C1CCC1 ZINC001159997609 1381963545 /nfs/dbraw/zinc/96/35/45/1381963545.db2.gz UFFNTUAOFUSURE-UHFFFAOYSA-N 2 1 343.515 3.034 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160360255 1382082694 /nfs/dbraw/zinc/08/26/94/1382082694.db2.gz MJXLCEDNOCOAEB-XLIONFOSSA-N 2 1 349.563 3.147 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160359933 1382082810 /nfs/dbraw/zinc/08/28/10/1382082810.db2.gz GOJPOKCGQGCZBD-FQEVSTJZSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001160359933 1382082814 /nfs/dbraw/zinc/08/28/14/1382082814.db2.gz GOJPOKCGQGCZBD-FQEVSTJZSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001160359933 1382082817 /nfs/dbraw/zinc/08/28/17/1382082817.db2.gz GOJPOKCGQGCZBD-FQEVSTJZSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+](C)C1(C(=O)NCCC2=CC[N@@H+](CCC(C)(C)C)CC2)CCC1 ZINC001160360741 1382083805 /nfs/dbraw/zinc/08/38/05/1382083805.db2.gz WHRUCSTZZJYUKM-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160400201 1382094632 /nfs/dbraw/zinc/09/46/32/1382094632.db2.gz LENQWZUPHFKRHE-PKOBYXMFSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001160400201 1382094638 /nfs/dbraw/zinc/09/46/38/1382094638.db2.gz LENQWZUPHFKRHE-PKOBYXMFSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001160400201 1382094642 /nfs/dbraw/zinc/09/46/42/1382094642.db2.gz LENQWZUPHFKRHE-PKOBYXMFSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@H](C(=O)NCCC1=CC[N@@H+](CC2CCCCC2)CC1)[NH+](C)C ZINC001160479449 1382118821 /nfs/dbraw/zinc/11/88/21/1382118821.db2.gz WLWXLKWODCWCCE-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CCc1ccc2c(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cc(=O)oc2c1 ZINC001328491576 1388763270 /nfs/dbraw/zinc/76/32/70/1388763270.db2.gz GWCGNRBCACIZJW-UHFFFAOYSA-N 2 1 340.467 3.321 20 0 EGADMP Nc1cccc(N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])[nH+]1 ZINC001160632562 1382156224 /nfs/dbraw/zinc/15/62/24/1382156224.db2.gz LTQUESNJOOKERI-JSRAGOMMSA-N 2 1 328.419 3.063 20 0 EGADMP COc1ccc2c[nH+]c(N[C@@H]3CC[NH2+]C[C@H]3C(F)(F)F)cc2c1 ZINC001160742750 1382184486 /nfs/dbraw/zinc/18/44/86/1382184486.db2.gz VQVABJVLWMRXQU-ZIAGYGMSSA-N 2 1 325.334 3.196 20 0 EGADMP CC(C)[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001160778429 1382193911 /nfs/dbraw/zinc/19/39/11/1382193911.db2.gz NEGFZTDANGWXNA-UHFFFAOYSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)[NH+]1CC=C(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001160778429 1382193919 /nfs/dbraw/zinc/19/39/19/1382193919.db2.gz NEGFZTDANGWXNA-UHFFFAOYSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001160778429 1382193920 /nfs/dbraw/zinc/19/39/20/1382193920.db2.gz NEGFZTDANGWXNA-UHFFFAOYSA-N 2 1 335.536 3.188 20 0 EGADMP C[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CC2CCCCCC2)CC1 ZINC001161088578 1382294334 /nfs/dbraw/zinc/29/43/34/1382294334.db2.gz CHTQLTZHBPDULV-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP c1cc(N[C@H]2CC[N@H+](CC3CCCC3)C2)ncc1C[NH+]1CCCC1 ZINC001161187429 1382332935 /nfs/dbraw/zinc/33/29/35/1382332935.db2.gz OZZNCRSYQUOBBT-IBGZPJMESA-N 2 1 328.504 3.354 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1cccc2ccccc21 ZINC001161251514 1382354150 /nfs/dbraw/zinc/35/41/50/1382354150.db2.gz QVGHVRFYHWRTRG-UHFFFAOYSA-N 2 1 341.499 3.166 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001161524857 1382430360 /nfs/dbraw/zinc/43/03/60/1382430360.db2.gz OWRYJEJWEBAPOD-FGTMMUONSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161704536 1382485080 /nfs/dbraw/zinc/48/50/80/1382485080.db2.gz CDMXIQOHMRPICB-VQTJNVASSA-N 2 1 347.547 3.211 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC2=CC[N@@H+](CCC3CC3)CC2)C1 ZINC001161704661 1382485467 /nfs/dbraw/zinc/48/54/67/1382485467.db2.gz DMDRNWJNNJVWLM-WOJBJXKFSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCCC2=CC[NH+](CCC3CCCC3)CC2)C1 ZINC001161704944 1382486027 /nfs/dbraw/zinc/48/60/27/1382486027.db2.gz MEPPSXJCVQYMNQ-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NCCC2=CC[N@H+](CCC3CCCC3)CC2)C1 ZINC001161704944 1382486029 /nfs/dbraw/zinc/48/60/29/1382486029.db2.gz MEPPSXJCVQYMNQ-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NCCC2=CC[N@@H+](CCC3CCCC3)CC2)C1 ZINC001161704944 1382486032 /nfs/dbraw/zinc/48/60/32/1382486032.db2.gz MEPPSXJCVQYMNQ-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP Cc1sc2nc(C[NH+](C)C)nc(NCCCC[NH+](C)C)c2c1C ZINC001161728823 1382490244 /nfs/dbraw/zinc/49/02/44/1382490244.db2.gz XWJLXIBDCDEBOR-UHFFFAOYSA-N 2 1 335.521 3.123 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161925180 1382556374 /nfs/dbraw/zinc/55/63/74/1382556374.db2.gz YLHZJJXLDQFLOF-ROUUACIJSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC1=CC[NH+](CCC2CCCC2)CC1 ZINC001161952003 1382567626 /nfs/dbraw/zinc/56/76/26/1382567626.db2.gz AIQZRXXAUIGMMT-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[C@@H](C(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1)[NH+]1CCCC1 ZINC001161952027 1382567873 /nfs/dbraw/zinc/56/78/73/1382567873.db2.gz APBFHZHUPILRSO-FQEVSTJZSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161953018 1382568939 /nfs/dbraw/zinc/56/89/39/1382568939.db2.gz OPCYYRXDYYNSEA-IBGZPJMESA-N 2 1 335.536 3.189 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001161953018 1382568943 /nfs/dbraw/zinc/56/89/43/1382568943.db2.gz OPCYYRXDYYNSEA-IBGZPJMESA-N 2 1 335.536 3.189 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001161953018 1382568947 /nfs/dbraw/zinc/56/89/47/1382568947.db2.gz OPCYYRXDYYNSEA-IBGZPJMESA-N 2 1 335.536 3.189 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161953011 1382569890 /nfs/dbraw/zinc/56/98/90/1382569890.db2.gz OKEOERNUJGBMAG-PKOBYXMFSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001161953011 1382569894 /nfs/dbraw/zinc/56/98/94/1382569894.db2.gz OKEOERNUJGBMAG-PKOBYXMFSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001161953011 1382569897 /nfs/dbraw/zinc/56/98/97/1382569897.db2.gz OKEOERNUJGBMAG-PKOBYXMFSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952659 1382570040 /nfs/dbraw/zinc/57/00/40/1382570040.db2.gz ICDUDGMXABHABU-FQEVSTJZSA-N 2 1 349.563 3.291 20 0 EGADMP Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(N[C@@H]3CCC[C@@H]([NH3+])C3)c12 ZINC001162392596 1382745835 /nfs/dbraw/zinc/74/58/35/1382745835.db2.gz HMUKMXWZOJWPCT-HUUCEWRRSA-N 2 1 339.443 3.371 20 0 EGADMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc[nH+]c2ccc(Br)cc12 ZINC001162468442 1382766434 /nfs/dbraw/zinc/76/64/34/1382766434.db2.gz YTCNOEIQGDKPHA-QWHCGFSZSA-N 2 1 348.288 3.467 20 0 EGADMP Cc1cc(N[C@@H]2CC[NH2+][C@@H]2C)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001162666316 1382825805 /nfs/dbraw/zinc/82/58/05/1382825805.db2.gz AXKKPFCGIHUEFU-VQIMIIECSA-N 2 1 336.483 3.111 20 0 EGADMP CC(C)[N@H+]1CC[C@H](Nc2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@H](C)C1 ZINC001163371653 1383035757 /nfs/dbraw/zinc/03/57/57/1383035757.db2.gz RWRWPKSRQTUPOB-APWZRJJASA-N 3 1 346.519 3.085 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](Nc2cc(OC3CC[NH+](C)CC3)ccn2)[C@H](C)C1 ZINC001163371653 1383035760 /nfs/dbraw/zinc/03/57/60/1383035760.db2.gz RWRWPKSRQTUPOB-APWZRJJASA-N 2 1 346.519 3.085 20 0 EGADMP CC(C)[N@H+]1CC[C@H](Nc2cc(OC3CC[NH+](C)CC3)ccn2)[C@H](C)C1 ZINC001163371653 1383035771 /nfs/dbraw/zinc/03/57/71/1383035771.db2.gz RWRWPKSRQTUPOB-APWZRJJASA-N 2 1 346.519 3.085 20 0 EGADMP C[N@H+]1CCN(c2ccc(C[NH+]3CCCC3)cn2)[C@@H](c2ccccc2)C1 ZINC001163675167 1383102559 /nfs/dbraw/zinc/10/25/59/1383102559.db2.gz YGJYCPWUENBWNU-HXUWFJFHSA-N 2 1 336.483 3.171 20 0 EGADMP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531363 1383196874 /nfs/dbraw/zinc/19/68/74/1383196874.db2.gz FVAIDJXGDMNDGY-MSOLQXFVSA-N 2 1 349.563 3.173 20 0 EGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC([NH3+])CC2)n1 ZINC001165064300 1383219943 /nfs/dbraw/zinc/21/99/43/1383219943.db2.gz KZAMZUFNOFXDGP-UHFFFAOYSA-N 2 1 347.532 3.077 20 0 EGADMP C[N@H+]1CCC[C@@H](CCNc2cc(Br)cc3c[nH+]cn32)C1 ZINC001165299808 1383268750 /nfs/dbraw/zinc/26/87/50/1383268750.db2.gz DGHJUMGKUNSBLC-LBPRGKRZSA-N 2 1 337.265 3.241 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001165331796 1383274708 /nfs/dbraw/zinc/27/47/08/1383274708.db2.gz CMMWHRGKLMNJBY-SFHVURJKSA-N 2 1 337.552 3.317 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCCC2(C[NH2+]CC3CCCC3)CC2)C1 ZINC001165471789 1383300240 /nfs/dbraw/zinc/30/02/40/1383300240.db2.gz AIWIOECCASKJJI-LJQANCHMSA-N 2 1 349.563 3.031 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001165569346 1383311602 /nfs/dbraw/zinc/31/16/02/1383311602.db2.gz XAWDZYYTIGIENS-QGZVFWFLSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)(C)N(c1cc(C2CC2)cc[nH+]1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165670278 1383322753 /nfs/dbraw/zinc/32/27/53/1383322753.db2.gz QAJURYWXXPJYQB-KRWDZBQOSA-N 2 1 329.488 3.475 20 0 EGADMP C[N@@H+](CC(=O)NCCC[NH2+]CCC1CCCCC1)CC(C)(C)C ZINC001166744149 1383469809 /nfs/dbraw/zinc/46/98/09/1383469809.db2.gz KCHYMEBWPFUGMH-UHFFFAOYSA-N 2 1 325.541 3.031 20 0 EGADMP C[C@H]1CCC[C@H](CC[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001166751437 1383471351 /nfs/dbraw/zinc/47/13/51/1383471351.db2.gz RHPPYMZIRJASDY-ZWKOTPCHSA-N 2 1 339.568 3.277 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC2(C[NH2+]CC3CCCC3)CC2)C1 ZINC001166787593 1383477495 /nfs/dbraw/zinc/47/74/95/1383477495.db2.gz SWQRZTPSHDPABR-LJQANCHMSA-N 2 1 349.563 3.175 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)[C@H](C)c1ccccc1F ZINC001328786849 1388864289 /nfs/dbraw/zinc/86/42/89/1388864289.db2.gz RGAFCUGLAUCAFS-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@H+](C)[C@H](C)c1ccccc1F ZINC001328786849 1388864299 /nfs/dbraw/zinc/86/42/99/1388864299.db2.gz RGAFCUGLAUCAFS-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)[C@H](C)c1ccccc1F ZINC001328786849 1388864301 /nfs/dbraw/zinc/86/43/01/1388864301.db2.gz RGAFCUGLAUCAFS-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP C[N@@H+](CC(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1)CC(C)(C)C ZINC001167240971 1383573316 /nfs/dbraw/zinc/57/33/16/1383573316.db2.gz XVKJFAAYZPUHQK-UHFFFAOYSA-N 2 1 349.563 3.341 20 0 EGADMP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167425058 1383629914 /nfs/dbraw/zinc/62/99/14/1383629914.db2.gz AAWXFPSRQDZEAI-OALUTQOASA-N 2 1 349.563 3.316 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167426318 1383630619 /nfs/dbraw/zinc/63/06/19/1383630619.db2.gz RQQLQYLEIBXCEI-ZWKOTPCHSA-N 2 1 335.536 3.070 20 0 EGADMP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167425762 1383630848 /nfs/dbraw/zinc/63/08/48/1383630848.db2.gz JODDEGIBZNWVFC-ZWKOTPCHSA-N 2 1 349.563 3.316 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001167627447 1383692567 /nfs/dbraw/zinc/69/25/67/1383692567.db2.gz OAMGHRWMPUNHKZ-AZUAARDMSA-N 2 1 345.531 3.415 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCCC2(C[NH2+]CC3CCCCCC3)CC2)C1 ZINC001167737424 1383726268 /nfs/dbraw/zinc/72/62/68/1383726268.db2.gz SSDKWAIXRVDVTL-IBGZPJMESA-N 2 1 349.563 3.175 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2ccc(C)cc2)CC1 ZINC001167812826 1383746238 /nfs/dbraw/zinc/74/62/38/1383746238.db2.gz WTWLFCUDRUTKAA-UHFFFAOYSA-N 2 1 345.531 3.103 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](Oc2cc(OC)ccn2)C1 ZINC001167833661 1383752911 /nfs/dbraw/zinc/75/29/11/1383752911.db2.gz CXPNKCWYWCQSLM-FUHWJXTLSA-N 2 1 335.492 3.054 20 0 EGADMP CCOC(=O)N1CCC([N@@H+](C)[C@H](C)CCC[NH+](CC)CC)CC1 ZINC001167837508 1383754677 /nfs/dbraw/zinc/75/46/77/1383754677.db2.gz LTGWONBTTSZGGU-MRXNPFEDSA-N 2 1 327.513 3.050 20 0 EGADMP c1ccc(OC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)nc1 ZINC001167995607 1383791700 /nfs/dbraw/zinc/79/17/00/1383791700.db2.gz KXUUVSPABZOLSX-DFNIBXOVSA-N 2 1 341.499 3.330 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009770 1383795927 /nfs/dbraw/zinc/79/59/27/1383795927.db2.gz IBRWFXNIONSBMX-KOUHRCEDSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168009770 1383795936 /nfs/dbraw/zinc/79/59/36/1383795936.db2.gz IBRWFXNIONSBMX-KOUHRCEDSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168009770 1383795941 /nfs/dbraw/zinc/79/59/41/1383795941.db2.gz IBRWFXNIONSBMX-KOUHRCEDSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccncc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168035048 1383801127 /nfs/dbraw/zinc/80/11/27/1383801127.db2.gz SIRIOWDSXZRLDZ-JWWGGVBKSA-N 2 1 339.483 3.146 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168047046 1383804649 /nfs/dbraw/zinc/80/46/49/1383804649.db2.gz QEHWZUGVQGXXSS-WQIFRTTPSA-N 3 1 341.543 3.312 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168047046 1383804652 /nfs/dbraw/zinc/80/46/52/1383804652.db2.gz QEHWZUGVQGXXSS-WQIFRTTPSA-N 3 1 341.543 3.312 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168047046 1383804657 /nfs/dbraw/zinc/80/46/57/1383804657.db2.gz QEHWZUGVQGXXSS-WQIFRTTPSA-N 3 1 341.543 3.312 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[C@H](C)N1Cc1ccccc1 ZINC001168047046 1383804661 /nfs/dbraw/zinc/80/46/61/1383804661.db2.gz QEHWZUGVQGXXSS-WQIFRTTPSA-N 2 1 341.543 3.312 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[C@H](C)N1Cc1ccccc1 ZINC001168047046 1383804666 /nfs/dbraw/zinc/80/46/66/1383804666.db2.gz QEHWZUGVQGXXSS-WQIFRTTPSA-N 2 1 341.543 3.312 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C[C@H](C)N1Cc1ccccc1 ZINC001168047046 1383804670 /nfs/dbraw/zinc/80/46/70/1383804670.db2.gz QEHWZUGVQGXXSS-WQIFRTTPSA-N 2 1 341.543 3.312 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C[C@H](C)N1Cc1ccccc1 ZINC001168047046 1383804675 /nfs/dbraw/zinc/80/46/75/1383804675.db2.gz QEHWZUGVQGXXSS-WQIFRTTPSA-N 2 1 341.543 3.312 20 0 EGADMP COC(=O)CC[N@H+](C1CC1)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168058598 1383806569 /nfs/dbraw/zinc/80/65/69/1383806569.db2.gz QJAPFEMOZBNWHJ-XEMDLRDOSA-N 2 1 344.499 3.456 20 0 EGADMP COC(=O)CC[N@@H+](C1CC1)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168058598 1383806575 /nfs/dbraw/zinc/80/65/75/1383806575.db2.gz QJAPFEMOZBNWHJ-XEMDLRDOSA-N 2 1 344.499 3.456 20 0 EGADMP COC(=O)CC[NH+](C1CC1)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168058598 1383806579 /nfs/dbraw/zinc/80/65/79/1383806579.db2.gz QJAPFEMOZBNWHJ-XEMDLRDOSA-N 2 1 344.499 3.456 20 0 EGADMP COC(=O)CC[NH+](C1CC1)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168058598 1383806585 /nfs/dbraw/zinc/80/65/85/1383806585.db2.gz QJAPFEMOZBNWHJ-XEMDLRDOSA-N 2 1 344.499 3.456 20 0 EGADMP CCC[NH+]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168058841 1383806792 /nfs/dbraw/zinc/80/67/92/1383806792.db2.gz CSMNWSVSYCVWHU-CEQLMSFQSA-N 2 1 329.532 3.456 20 0 EGADMP C[C@H]1CC(N2CCc3[nH+]ccn3CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168061569 1383807562 /nfs/dbraw/zinc/80/75/62/1383807562.db2.gz ISGACQNGXGOESC-ROUUACIJSA-N 2 1 338.499 3.183 20 0 EGADMP CC[N@H+]1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C ZINC001168066274 1383809902 /nfs/dbraw/zinc/80/99/02/1383809902.db2.gz MOANYJOKLRZWTF-GBESFXJTSA-N 2 1 329.532 3.454 20 0 EGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC001168142449 1383825463 /nfs/dbraw/zinc/82/54/63/1383825463.db2.gz CTKRSTFCUBDQIM-CWJKEVGVSA-N 2 1 328.500 3.398 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC001168142449 1383825468 /nfs/dbraw/zinc/82/54/68/1383825468.db2.gz CTKRSTFCUBDQIM-CWJKEVGVSA-N 2 1 328.500 3.398 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC001168142449 1383825473 /nfs/dbraw/zinc/82/54/73/1383825473.db2.gz CTKRSTFCUBDQIM-CWJKEVGVSA-N 2 1 328.500 3.398 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001168153597 1383828844 /nfs/dbraw/zinc/82/88/44/1383828844.db2.gz OAVDJCVWGWEIGR-UHFFFAOYSA-N 2 1 346.519 3.038 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001168153834 1383829265 /nfs/dbraw/zinc/82/92/65/1383829265.db2.gz RFLKMHDAKSFIGI-UHFFFAOYSA-N 2 1 346.519 3.038 20 0 EGADMP Cc1ccc(CN2C[C@H]3C[NH+](C4CCC([NH+](C)C)CC4)C[C@@H]3C2)cc1 ZINC001168319280 1383871354 /nfs/dbraw/zinc/87/13/54/1383871354.db2.gz QKIWTZFYVOERQL-PHZLKFDYSA-N 2 1 341.543 3.231 20 0 EGADMP C[NH+](C)C1CCC([N@@H+](C)Cc2cncc(Br)c2)CC1 ZINC001168319805 1383871896 /nfs/dbraw/zinc/87/18/96/1383871896.db2.gz ZJEORBJNXWQAPB-UHFFFAOYSA-N 2 1 326.282 3.149 20 0 EGADMP COC(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)C1CCC([NH+](C)C)CC1 ZINC001168328299 1383873912 /nfs/dbraw/zinc/87/39/12/1383873912.db2.gz DPUOZUMPWZJDLL-IPJUCJBFSA-N 2 1 332.488 3.313 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001168328934 1383873969 /nfs/dbraw/zinc/87/39/69/1383873969.db2.gz MMKFRTCXDUYBRR-JTVPBKEVSA-N 3 1 341.543 3.313 20 0 EGADMP C[NH+](C)C1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001168328934 1383873972 /nfs/dbraw/zinc/87/39/72/1383873972.db2.gz MMKFRTCXDUYBRR-JTVPBKEVSA-N 3 1 341.543 3.313 20 0 EGADMP C[NH+](C)C1CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001168328934 1383873976 /nfs/dbraw/zinc/87/39/76/1383873976.db2.gz MMKFRTCXDUYBRR-JTVPBKEVSA-N 3 1 341.543 3.313 20 0 EGADMP C[NH+](C)C1CCC(N2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001168328934 1383873978 /nfs/dbraw/zinc/87/39/78/1383873978.db2.gz MMKFRTCXDUYBRR-JTVPBKEVSA-N 2 1 341.543 3.313 20 0 EGADMP C[NH+](C)C1CCC(N2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001168328934 1383873982 /nfs/dbraw/zinc/87/39/82/1383873982.db2.gz MMKFRTCXDUYBRR-JTVPBKEVSA-N 2 1 341.543 3.313 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](CNC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168352742 1383880503 /nfs/dbraw/zinc/88/05/03/1383880503.db2.gz BPQIOTZCGXFJPT-NRFANRHFSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168352742 1383880508 /nfs/dbraw/zinc/88/05/08/1383880508.db2.gz BPQIOTZCGXFJPT-NRFANRHFSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168352742 1383880511 /nfs/dbraw/zinc/88/05/11/1383880511.db2.gz BPQIOTZCGXFJPT-NRFANRHFSA-N 3 1 341.543 3.363 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C2CC[NH+](CC3CC3)CC2)o1 ZINC001168378368 1383889080 /nfs/dbraw/zinc/88/90/80/1383889080.db2.gz MWNJJGCQWUIAPQ-LEWJYISDSA-N 2 1 343.515 3.111 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C2CC[NH+](CC3CC3)CC2)o1 ZINC001168378368 1383889083 /nfs/dbraw/zinc/88/90/83/1383889083.db2.gz MWNJJGCQWUIAPQ-LEWJYISDSA-N 2 1 343.515 3.111 20 0 EGADMP COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168389419 1383893010 /nfs/dbraw/zinc/89/30/10/1383893010.db2.gz PIJFXAJYAXENGF-KRWDZBQOSA-N 2 1 344.499 3.315 20 0 EGADMP COc1ccccc1O[C@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168392810 1383893155 /nfs/dbraw/zinc/89/31/55/1383893155.db2.gz UQLOLKGTOVANJN-IBGZPJMESA-N 2 1 344.499 3.413 20 0 EGADMP COc1ccccc1O[C@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168392810 1383893161 /nfs/dbraw/zinc/89/31/61/1383893161.db2.gz UQLOLKGTOVANJN-IBGZPJMESA-N 2 1 344.499 3.413 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]C[C@H](C)CC(C)C ZINC001168596461 1383944243 /nfs/dbraw/zinc/94/42/43/1383944243.db2.gz WWLVRFZWODMPGX-GOSISDBHSA-N 2 1 327.557 3.277 20 0 EGADMP CCC/C=C/CC[NH2+]CCCNC(=O)C[N@H+](C)CCCCCC ZINC001168594810 1383944635 /nfs/dbraw/zinc/94/46/35/1383944635.db2.gz ALEGSCZTAJMFIX-CSKARUKUSA-N 2 1 325.541 3.341 20 0 EGADMP COc1ccc([C@H]2C[C@@H]([N@@H+](C)CCC[NH+]3CCCC3)CCO2)cc1 ZINC001168654848 1383959252 /nfs/dbraw/zinc/95/92/52/1383959252.db2.gz WJDRPTPRJCCFNR-AZUAARDMSA-N 2 1 332.488 3.333 20 0 EGADMP [NH3+]C1(c2cccnc2)CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168704166 1383974903 /nfs/dbraw/zinc/97/49/03/1383974903.db2.gz FIUWOWRBLUJDRP-MRXNPFEDSA-N 2 1 327.859 3.152 20 0 EGADMP C[NH+](C)CC(C)(C)CNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001168767561 1383996589 /nfs/dbraw/zinc/99/65/89/1383996589.db2.gz FYAREUQRTADZBC-KRWDZBQOSA-N 3 1 343.519 3.351 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)CN1C(=O)OC(C)(C)C ZINC001168840313 1384028771 /nfs/dbraw/zinc/02/87/71/1384028771.db2.gz ULWVGCSHDIIKHV-BRWVUGGUSA-N 2 1 339.524 3.225 20 0 EGADMP CC[N@@H+]1CC=C(c2cnc(-n3cnc4ccc(C[NH3+])cc43)c(C)c2)CC1 ZINC001168841348 1384030339 /nfs/dbraw/zinc/03/03/39/1384030339.db2.gz SRKRJARAJWXRBL-UHFFFAOYSA-N 2 1 347.466 3.297 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001169095303 1384106180 /nfs/dbraw/zinc/10/61/80/1384106180.db2.gz OYLUSCZRMVHEFR-NSGFAUEGSA-N 2 1 349.519 3.132 20 0 EGADMP COc1ccc2c(c1)c(CC[NH3+])c(C)n2[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099550 1384107422 /nfs/dbraw/zinc/10/74/22/1384107422.db2.gz BCTCMUKIAARBJO-ZSHCYNCHSA-N 2 1 327.472 3.257 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3c(F)cccc3F)CC1)C2 ZINC001169109468 1384108859 /nfs/dbraw/zinc/10/88/59/1384108859.db2.gz IWNXNGWJUQMJHA-OSYLJGHBSA-N 2 1 349.469 3.144 20 0 EGADMP CC(C)[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)Nc1ccc(F)cc1 ZINC001169115279 1384109125 /nfs/dbraw/zinc/10/91/25/1384109125.db2.gz IAUXCUOIOWAMDP-MHORFTMASA-N 2 1 333.451 3.004 20 0 EGADMP CC(C)[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)Nc1ccc(F)cc1 ZINC001169115279 1384109127 /nfs/dbraw/zinc/10/91/27/1384109127.db2.gz IAUXCUOIOWAMDP-MHORFTMASA-N 2 1 333.451 3.004 20 0 EGADMP COC(=O)CCC[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124450 1384110315 /nfs/dbraw/zinc/11/03/15/1384110315.db2.gz CTYHTNRPIARVML-BWTSREIZSA-N 2 1 330.472 3.067 20 0 EGADMP COC(=O)CCC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124450 1384110317 /nfs/dbraw/zinc/11/03/17/1384110317.db2.gz CTYHTNRPIARVML-BWTSREIZSA-N 2 1 330.472 3.067 20 0 EGADMP COC(=O)CCC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124450 1384110320 /nfs/dbraw/zinc/11/03/20/1384110320.db2.gz CTYHTNRPIARVML-BWTSREIZSA-N 2 1 330.472 3.067 20 0 EGADMP CCOC(=O)Cc1cc[nH+]c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1C ZINC001169140636 1384112896 /nfs/dbraw/zinc/11/28/96/1384112896.db2.gz HADFRUUKZFLKIS-OXQOHEQNSA-N 2 1 347.503 3.451 20 0 EGADMP COc1ccccc1[C@H](O)C[N@H+](C(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142580 1384113451 /nfs/dbraw/zinc/11/34/51/1384113451.db2.gz DGCUBSGWJIZVPK-SFNKJDCFSA-N 2 1 332.488 3.064 20 0 EGADMP COc1ccccc1[C@H](O)C[N@@H+](C(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142580 1384113453 /nfs/dbraw/zinc/11/34/53/1384113453.db2.gz DGCUBSGWJIZVPK-SFNKJDCFSA-N 2 1 332.488 3.064 20 0 EGADMP COc1ccccc1[C@H](O)C[NH+](C(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142580 1384113455 /nfs/dbraw/zinc/11/34/55/1384113455.db2.gz DGCUBSGWJIZVPK-SFNKJDCFSA-N 2 1 332.488 3.064 20 0 EGADMP COc1ccccc1[C@H](O)C[NH+](C(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142580 1384113457 /nfs/dbraw/zinc/11/34/57/1384113457.db2.gz DGCUBSGWJIZVPK-SFNKJDCFSA-N 2 1 332.488 3.064 20 0 EGADMP COc1ccccc1[C@H](O)C[N@H+](C(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142581 1384113532 /nfs/dbraw/zinc/11/35/32/1384113532.db2.gz DGCUBSGWJIZVPK-VUHPKUFZSA-N 2 1 332.488 3.064 20 0 EGADMP COc1ccccc1[C@H](O)C[N@@H+](C(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142581 1384113534 /nfs/dbraw/zinc/11/35/34/1384113534.db2.gz DGCUBSGWJIZVPK-VUHPKUFZSA-N 2 1 332.488 3.064 20 0 EGADMP COc1ccccc1[C@H](O)C[NH+](C(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142581 1384113538 /nfs/dbraw/zinc/11/35/38/1384113538.db2.gz DGCUBSGWJIZVPK-VUHPKUFZSA-N 2 1 332.488 3.064 20 0 EGADMP COc1ccccc1[C@H](O)C[NH+](C(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142581 1384113542 /nfs/dbraw/zinc/11/35/42/1384113542.db2.gz DGCUBSGWJIZVPK-VUHPKUFZSA-N 2 1 332.488 3.064 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@@H]3CCC[C@@H]3[C@H]1C(=O)OC(C)(C)C)C2 ZINC001169144614 1384113767 /nfs/dbraw/zinc/11/37/67/1384113767.db2.gz KQFMLHMNPCGXAW-PCCRXHMLSA-N 2 1 334.504 3.054 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@@H]3CCC[C@@H]3[C@H]1C(=O)OC(C)(C)C)C2 ZINC001169144614 1384113769 /nfs/dbraw/zinc/11/37/69/1384113769.db2.gz KQFMLHMNPCGXAW-PCCRXHMLSA-N 2 1 334.504 3.054 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@@H]3CCC[C@@H]3[C@H]1C(=O)OC(C)(C)C)C2 ZINC001169144614 1384113771 /nfs/dbraw/zinc/11/37/71/1384113771.db2.gz KQFMLHMNPCGXAW-PCCRXHMLSA-N 2 1 334.504 3.054 20 0 EGADMP COc1cccc([C@@H]2CSCC[N@@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169154759 1384116225 /nfs/dbraw/zinc/11/62/25/1384116225.db2.gz UNGAHWRTRPVADD-ZMMAXQRCSA-N 2 1 332.513 3.410 20 0 EGADMP COc1cccc([C@@H]2CSCC[N@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169154759 1384116227 /nfs/dbraw/zinc/11/62/27/1384116227.db2.gz UNGAHWRTRPVADD-ZMMAXQRCSA-N 2 1 332.513 3.410 20 0 EGADMP COc1cccc([C@@H]2CSCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169154759 1384116229 /nfs/dbraw/zinc/11/62/29/1384116229.db2.gz UNGAHWRTRPVADD-ZMMAXQRCSA-N 2 1 332.513 3.410 20 0 EGADMP COc1cccc([C@@H]2CSCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169154759 1384116231 /nfs/dbraw/zinc/11/62/31/1384116231.db2.gz UNGAHWRTRPVADD-ZMMAXQRCSA-N 2 1 332.513 3.410 20 0 EGADMP CC[NH+]1CCC([NH2+]C2CCN(Cc3ccc(C)cc3F)CC2)CC1 ZINC001169238408 1384125943 /nfs/dbraw/zinc/12/59/43/1384125943.db2.gz GWZAWJYDGXXRQU-UHFFFAOYSA-N 2 1 333.495 3.172 20 0 EGADMP CC[NH+]1CCC([NH2+]C2CCN(Cc3cc(F)ccc3F)CC2)CC1 ZINC001169238439 1384126205 /nfs/dbraw/zinc/12/62/05/1384126205.db2.gz IIEXYNJZGRSUSZ-UHFFFAOYSA-N 2 1 337.458 3.003 20 0 EGADMP CCN1CCC([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241338 1384126540 /nfs/dbraw/zinc/12/65/40/1384126540.db2.gz VMMCUZJUOZFCLE-WGSAOQKQSA-N 2 1 333.495 3.382 20 0 EGADMP CC[NH+]1CCC([N@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241338 1384126541 /nfs/dbraw/zinc/12/65/41/1384126541.db2.gz VMMCUZJUOZFCLE-WGSAOQKQSA-N 3 1 333.495 3.382 20 0 EGADMP CC[NH+]1CCC([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241338 1384126542 /nfs/dbraw/zinc/12/65/42/1384126542.db2.gz VMMCUZJUOZFCLE-WGSAOQKQSA-N 3 1 333.495 3.382 20 0 EGADMP CC[NH+]1CCC([N@H+](C)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001169262379 1384128980 /nfs/dbraw/zinc/12/89/80/1384128980.db2.gz ZXTKTNDVSPJQFK-WKILWMFISA-N 2 1 339.524 3.238 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001169262379 1384128981 /nfs/dbraw/zinc/12/89/81/1384128981.db2.gz ZXTKTNDVSPJQFK-WKILWMFISA-N 2 1 339.524 3.238 20 0 EGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C(F)(F)C(=O)OCC)C1 ZINC001308793858 1384149990 /nfs/dbraw/zinc/14/99/90/1384149990.db2.gz TWUPMTHEAIPBIX-QLFBSQMISA-N 2 1 334.451 3.064 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C(F)(F)C(=O)OCC)C1 ZINC001308793858 1384149991 /nfs/dbraw/zinc/14/99/91/1384149991.db2.gz TWUPMTHEAIPBIX-QLFBSQMISA-N 2 1 334.451 3.064 20 0 EGADMP Cc1[nH+]ccn1-c1cc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)ncn1 ZINC001169683615 1384173688 /nfs/dbraw/zinc/17/36/88/1384173688.db2.gz BCCZBPONJLOCJV-MRXNPFEDSA-N 2 1 334.427 3.211 20 0 EGADMP Oc1cccnc1CNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001169731360 1384180031 /nfs/dbraw/zinc/18/00/31/1384180031.db2.gz PBFJVIXGPPAFQB-HNNXBMFYSA-N 2 1 337.427 3.064 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC001170233889 1384272341 /nfs/dbraw/zinc/27/23/41/1384272341.db2.gz RNTPDLOQWHJTQT-QGZVFWFLSA-N 2 1 341.499 3.339 20 0 EGADMP C[NH+]1C(C)(C)CC(Nc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)CC1(C)C ZINC001170451345 1384322593 /nfs/dbraw/zinc/32/25/93/1384322593.db2.gz UBTIEDMECIIHMD-UHFFFAOYSA-N 3 1 341.503 3.084 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001170503990 1384330380 /nfs/dbraw/zinc/33/03/80/1384330380.db2.gz ZMRAMAQBTVIWEE-LTFPLMDUSA-N 2 1 342.483 3.113 20 0 EGADMP CCCCCC[C@@H](CC)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001170598404 1384347099 /nfs/dbraw/zinc/34/70/99/1384347099.db2.gz HVOTYRDBFVJINT-GOSISDBHSA-N 2 1 348.535 3.260 20 0 EGADMP [NH3+]CCN(c1cc2[nH+]c[nH]c2cc1F)C12CC3CC(CC(C3)C1)C2 ZINC001170629791 1384353748 /nfs/dbraw/zinc/35/37/48/1384353748.db2.gz GXPKBZBJMSOLKO-UHFFFAOYSA-N 2 1 328.435 3.436 20 0 EGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001170750503 1384378436 /nfs/dbraw/zinc/37/84/36/1384378436.db2.gz KWANUXQDPZLBTK-ZWKOTPCHSA-N 2 1 325.541 3.314 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C ZINC001170785087 1384384562 /nfs/dbraw/zinc/38/45/62/1384384562.db2.gz NSMRCFKEBAWYNN-HXUWFJFHSA-N 2 1 345.531 3.246 20 0 EGADMP CC(C)[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170794273 1384386815 /nfs/dbraw/zinc/38/68/15/1384386815.db2.gz CGKIDBPJDVRDIG-ZWKOTPCHSA-N 2 1 337.552 3.314 20 0 EGADMP C[C@@H]1COCC[C@@H]1Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001170820654 1384391393 /nfs/dbraw/zinc/39/13/93/1384391393.db2.gz UPEFSCWTTMRMIQ-PVAVHDDUSA-N 2 1 328.460 3.188 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170862584 1384400888 /nfs/dbraw/zinc/40/08/88/1384400888.db2.gz OSEXUWJRICKEFL-ZHALLVOQSA-N 2 1 337.552 3.172 20 0 EGADMP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861331 1384400995 /nfs/dbraw/zinc/40/09/95/1384400995.db2.gz COWFVWACECCFTO-KZNAEPCWSA-N 2 1 339.568 3.418 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861953 1384401006 /nfs/dbraw/zinc/40/10/06/1384401006.db2.gz ISGIXCVXJBALKC-LZLYRXPVSA-N 2 1 337.552 3.027 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH2+]CC1CC(C)(C)C1)c1ccccc1 ZINC001170867381 1384401293 /nfs/dbraw/zinc/40/12/93/1384401293.db2.gz GAKZOPYYPHHREU-LJQANCHMSA-N 2 1 345.531 3.212 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC2=CCCCC2)CC[N@H+]1C ZINC001170879477 1384403975 /nfs/dbraw/zinc/40/39/75/1384403975.db2.gz XXFXNGYWXFBUGQ-YSIASYRMSA-N 2 1 349.563 3.482 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171031065 1384433112 /nfs/dbraw/zinc/43/31/12/1384433112.db2.gz SALZWFHEHMIWMY-JYJNAYRXSA-N 2 1 334.891 3.168 20 0 EGADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)C[C@@H]2C1 ZINC001171172514 1384459950 /nfs/dbraw/zinc/45/99/50/1384459950.db2.gz OVEXRWDMOBXZDA-QLFBSQMISA-N 2 1 325.283 3.344 20 0 EGADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)C[C@@H]2C1 ZINC001171172514 1384459953 /nfs/dbraw/zinc/45/99/53/1384459953.db2.gz OVEXRWDMOBXZDA-QLFBSQMISA-N 2 1 325.283 3.344 20 0 EGADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)C[C@@H]2C1 ZINC001171172514 1384459955 /nfs/dbraw/zinc/45/99/55/1384459955.db2.gz OVEXRWDMOBXZDA-QLFBSQMISA-N 2 1 325.283 3.344 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001316601635 1384468590 /nfs/dbraw/zinc/46/85/90/1384468590.db2.gz HJWCUIAMYKVZBN-ZWKOTPCHSA-N 2 1 348.535 3.221 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001316601635 1384468592 /nfs/dbraw/zinc/46/85/92/1384468592.db2.gz HJWCUIAMYKVZBN-ZWKOTPCHSA-N 2 1 348.535 3.221 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001171226661 1384473662 /nfs/dbraw/zinc/47/36/62/1384473662.db2.gz JBOHOUPBYQXSJM-QZTJIDSGSA-N 2 1 345.531 3.309 20 0 EGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171245966 1384477577 /nfs/dbraw/zinc/47/75/77/1384477577.db2.gz CMCOSARPYFGWSK-MJGOQNOKSA-N 2 1 337.552 3.458 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171248650 1384478413 /nfs/dbraw/zinc/47/84/13/1384478413.db2.gz WWXSDLZWZVLUPF-VQIMIIECSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171260472 1384480997 /nfs/dbraw/zinc/48/09/97/1384480997.db2.gz ITRLFYXDKGYDCF-INIZCTEOSA-N 2 1 349.494 3.075 20 0 EGADMP CCCCc1nc(NCc2ccccc2N2CC[NH2+]CC2)cc(C)[nH+]1 ZINC001171281985 1384485099 /nfs/dbraw/zinc/48/50/99/1384485099.db2.gz VYBVJCXLZYHHGT-UHFFFAOYSA-N 2 1 339.487 3.149 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001316624785 1384490083 /nfs/dbraw/zinc/49/00/83/1384490083.db2.gz OJXVOZGFAXAQRL-AKHDSKFASA-N 2 1 337.552 3.027 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCC[C@H]2C[NH3+])C[C@@H]1C(C)(C)C ZINC001171583408 1384571913 /nfs/dbraw/zinc/57/19/13/1384571913.db2.gz YMMSUMNBFZLTPP-OWCLPIDISA-N 2 1 339.524 3.224 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCC[C@H]2C[NH3+])C[C@@H]1C(C)(C)C ZINC001171583408 1384571916 /nfs/dbraw/zinc/57/19/16/1384571916.db2.gz YMMSUMNBFZLTPP-OWCLPIDISA-N 2 1 339.524 3.224 20 0 EGADMP CCC[N@@H+](C1CCN(C(C)=O)CC1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171643927 1384590420 /nfs/dbraw/zinc/59/04/20/1384590420.db2.gz YEGYSLKRVLINSG-UHFFFAOYSA-N 2 1 337.552 3.361 20 0 EGADMP CCCCC[NH+]1CCN([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171761330 1384627446 /nfs/dbraw/zinc/62/74/46/1384627446.db2.gz CZAOOPFZELUQDT-FPOVZHCZSA-N 2 1 329.532 3.457 20 0 EGADMP C[NH2+]CCc1c(C)nn([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC001171759846 1384628102 /nfs/dbraw/zinc/62/81/02/1384628102.db2.gz NPXUPOABXRALOJ-KXBFYZLASA-N 2 1 326.488 3.097 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171963543 1384697406 /nfs/dbraw/zinc/69/74/06/1384697406.db2.gz IBFZKKXPYXPMCO-HXUWFJFHSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171963543 1384697415 /nfs/dbraw/zinc/69/74/15/1384697415.db2.gz IBFZKKXPYXPMCO-HXUWFJFHSA-N 2 1 329.532 3.361 20 0 EGADMP CC1(C)C[C@@H](N(CC[NH3+])c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC001171982490 1384701936 /nfs/dbraw/zinc/70/19/36/1384701936.db2.gz JALYSKXBLVPSIV-IBGZPJMESA-N 2 1 338.499 3.290 20 0 EGADMP C[C@@H]1CO[C@@H]2C[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]12 ZINC001171985928 1384703873 /nfs/dbraw/zinc/70/38/73/1384703873.db2.gz DJFSTRGFXXNERQ-GSEOLPGOSA-N 2 1 328.500 3.396 20 0 EGADMP C[C@@H]1CO[C@@H]2C[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]12 ZINC001171985928 1384703876 /nfs/dbraw/zinc/70/38/76/1384703876.db2.gz DJFSTRGFXXNERQ-GSEOLPGOSA-N 2 1 328.500 3.396 20 0 EGADMP C[C@@H]1CO[C@@H]2C[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]12 ZINC001171985928 1384703879 /nfs/dbraw/zinc/70/38/79/1384703879.db2.gz DJFSTRGFXXNERQ-GSEOLPGOSA-N 2 1 328.500 3.396 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171983184 1384703996 /nfs/dbraw/zinc/70/39/96/1384703996.db2.gz VSUVKKQDZDUTQL-HKBOAZHASA-N 3 1 341.543 3.313 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171983184 1384703999 /nfs/dbraw/zinc/70/39/99/1384703999.db2.gz VSUVKKQDZDUTQL-HKBOAZHASA-N 3 1 341.543 3.313 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171983184 1384704002 /nfs/dbraw/zinc/70/40/02/1384704002.db2.gz VSUVKKQDZDUTQL-HKBOAZHASA-N 3 1 341.543 3.313 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCN(Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171983184 1384704004 /nfs/dbraw/zinc/70/40/04/1384704004.db2.gz VSUVKKQDZDUTQL-HKBOAZHASA-N 2 1 341.543 3.313 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCN(Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171983184 1384704006 /nfs/dbraw/zinc/70/40/06/1384704006.db2.gz VSUVKKQDZDUTQL-HKBOAZHASA-N 2 1 341.543 3.313 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCN(Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171983184 1384704008 /nfs/dbraw/zinc/70/40/08/1384704008.db2.gz VSUVKKQDZDUTQL-HKBOAZHASA-N 2 1 341.543 3.313 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCN(Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171983184 1384704012 /nfs/dbraw/zinc/70/40/12/1384704012.db2.gz VSUVKKQDZDUTQL-HKBOAZHASA-N 2 1 341.543 3.313 20 0 EGADMP CN1CC2(C1)CC[N@H+]([C@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987133 1384706720 /nfs/dbraw/zinc/70/67/20/1384706720.db2.gz PFOFVFWQEXUHKG-IBGZPJMESA-N 2 1 327.516 3.067 20 0 EGADMP CN1CC2(C1)CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987133 1384706726 /nfs/dbraw/zinc/70/67/26/1384706726.db2.gz PFOFVFWQEXUHKG-IBGZPJMESA-N 2 1 327.516 3.067 20 0 EGADMP CN1CC2(C1)CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987133 1384706728 /nfs/dbraw/zinc/70/67/28/1384706728.db2.gz PFOFVFWQEXUHKG-IBGZPJMESA-N 2 1 327.516 3.067 20 0 EGADMP C[N@H+]1CCC[C@@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172062759 1384714754 /nfs/dbraw/zinc/71/47/54/1384714754.db2.gz RXCWPCMPFTVOFC-PLACYPQZSA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+]1CCC[C@@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062759 1384714762 /nfs/dbraw/zinc/71/47/62/1384714762.db2.gz RXCWPCMPFTVOFC-PLACYPQZSA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+]1CCC[C@@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062759 1384714765 /nfs/dbraw/zinc/71/47/65/1384714765.db2.gz RXCWPCMPFTVOFC-PLACYPQZSA-N 2 1 327.516 3.256 20 0 EGADMP CN1CCC[C@@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062759 1384714769 /nfs/dbraw/zinc/71/47/69/1384714769.db2.gz RXCWPCMPFTVOFC-PLACYPQZSA-N 2 1 327.516 3.256 20 0 EGADMP CN1CCC[C@@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062759 1384714772 /nfs/dbraw/zinc/71/47/72/1384714772.db2.gz RXCWPCMPFTVOFC-PLACYPQZSA-N 2 1 327.516 3.256 20 0 EGADMP Cc1cnc(CC[NH3+])n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061600 1384715367 /nfs/dbraw/zinc/71/53/67/1384715367.db2.gz HTSQQGACRWUFPM-ACDBMABISA-N 2 1 338.499 3.451 20 0 EGADMP O[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172067086 1384717021 /nfs/dbraw/zinc/71/70/21/1384717021.db2.gz AJQNJKCTGHXPFB-WOZUAGRISA-N 2 1 328.500 3.419 20 0 EGADMP O[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172067086 1384717026 /nfs/dbraw/zinc/71/70/26/1384717026.db2.gz AJQNJKCTGHXPFB-WOZUAGRISA-N 2 1 328.500 3.419 20 0 EGADMP O[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172067086 1384717030 /nfs/dbraw/zinc/71/70/30/1384717030.db2.gz AJQNJKCTGHXPFB-WOZUAGRISA-N 2 1 328.500 3.419 20 0 EGADMP O[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172067086 1384717033 /nfs/dbraw/zinc/71/70/33/1384717033.db2.gz AJQNJKCTGHXPFB-WOZUAGRISA-N 2 1 328.500 3.419 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]C2CC4(COC4)C2)C3)cc1 ZINC001172066484 1384717263 /nfs/dbraw/zinc/71/72/63/1384717263.db2.gz XXIOHDQYOCGPRA-FNLKRUPLSA-N 2 1 326.484 3.341 20 0 EGADMP COC(=O)c1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1Cl ZINC001172104939 1384727863 /nfs/dbraw/zinc/72/78/63/1384727863.db2.gz FBAGDFSHRRKPDM-QKDCVEJESA-N 2 1 336.863 3.232 20 0 EGADMP CC(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172109074 1384728243 /nfs/dbraw/zinc/72/82/43/1384728243.db2.gz BXTIBINRPJTSBH-LMZXCBKASA-N 2 1 335.536 3.065 20 0 EGADMP CC(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172109074 1384728247 /nfs/dbraw/zinc/72/82/47/1384728247.db2.gz BXTIBINRPJTSBH-LMZXCBKASA-N 2 1 335.536 3.065 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(N3CCCCC3=O)cc1)C2 ZINC001172112109 1384729943 /nfs/dbraw/zinc/72/99/43/1384729943.db2.gz RPPHLJKAVOTTNR-VJDPLVQDSA-N 2 1 341.499 3.308 20 0 EGADMP COc1cc2c(cc1OC)C[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172110633 1384729958 /nfs/dbraw/zinc/72/99/58/1384729958.db2.gz PGXJJEFFTFFRIW-CADBVGFASA-N 2 1 344.499 3.166 20 0 EGADMP COc1cc2c(cc1OC)C[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172110633 1384729960 /nfs/dbraw/zinc/72/99/60/1384729960.db2.gz PGXJJEFFTFFRIW-CADBVGFASA-N 2 1 344.499 3.166 20 0 EGADMP COc1ccc2c(c1)SC[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172114763 1384731345 /nfs/dbraw/zinc/73/13/45/1384731345.db2.gz SVQAEWRPFRCCKP-VQHPVUNQSA-N 2 1 332.513 3.317 20 0 EGADMP COc1ccc2c(c1)SC[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172114763 1384731347 /nfs/dbraw/zinc/73/13/47/1384731347.db2.gz SVQAEWRPFRCCKP-VQHPVUNQSA-N 2 1 332.513 3.317 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC001172113029 1384731431 /nfs/dbraw/zinc/73/14/31/1384731431.db2.gz FACKHUIEMSMBHR-MUJYYYPQSA-N 2 1 336.863 3.232 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC001172113029 1384731433 /nfs/dbraw/zinc/73/14/33/1384731433.db2.gz FACKHUIEMSMBHR-MUJYYYPQSA-N 2 1 336.863 3.232 20 0 EGADMP COC(C[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)OC ZINC001172121328 1384734074 /nfs/dbraw/zinc/73/40/74/1384734074.db2.gz PLPWASORLRJFDJ-BWTSREIZSA-N 2 1 332.488 3.123 20 0 EGADMP COC(C[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)OC ZINC001172121328 1384734077 /nfs/dbraw/zinc/73/40/77/1384734077.db2.gz PLPWASORLRJFDJ-BWTSREIZSA-N 2 1 332.488 3.123 20 0 EGADMP COC(C[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)OC ZINC001172121328 1384734080 /nfs/dbraw/zinc/73/40/80/1384734080.db2.gz PLPWASORLRJFDJ-BWTSREIZSA-N 2 1 332.488 3.123 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172121646 1384735028 /nfs/dbraw/zinc/73/50/28/1384735028.db2.gz RQOQNOVQYRYNPN-CLWJZODNSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172121646 1384735029 /nfs/dbraw/zinc/73/50/29/1384735029.db2.gz RQOQNOVQYRYNPN-CLWJZODNSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172121646 1384735031 /nfs/dbraw/zinc/73/50/31/1384735031.db2.gz RQOQNOVQYRYNPN-CLWJZODNSA-N 2 1 349.519 3.087 20 0 EGADMP C[N@H+](CCCCNC(=O)OC(C)(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130757 1384737082 /nfs/dbraw/zinc/73/70/82/1384737082.db2.gz RGRTXMFOQIQYKG-BJWYYQGGSA-N 2 1 339.524 3.238 20 0 EGADMP C[N@@H+](CCCCNC(=O)OC(C)(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130757 1384737084 /nfs/dbraw/zinc/73/70/84/1384737084.db2.gz RGRTXMFOQIQYKG-BJWYYQGGSA-N 2 1 339.524 3.238 20 0 EGADMP C[NH+](CCCCNC(=O)OC(C)(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172130757 1384737086 /nfs/dbraw/zinc/73/70/86/1384737086.db2.gz RGRTXMFOQIQYKG-BJWYYQGGSA-N 2 1 339.524 3.238 20 0 EGADMP C[NH+](CCCCNC(=O)OC(C)(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172130757 1384737093 /nfs/dbraw/zinc/73/70/93/1384737093.db2.gz RGRTXMFOQIQYKG-BJWYYQGGSA-N 2 1 339.524 3.238 20 0 EGADMP COc1ccccc1[C@H](O)C[N@@H+](C(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172128886 1384738106 /nfs/dbraw/zinc/73/81/06/1384738106.db2.gz VHPDVJZCLHFWBJ-AJYBTWMASA-N 2 1 346.515 3.454 20 0 EGADMP COc1ccccc1[C@H](O)C[N@H+](C(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128886 1384738107 /nfs/dbraw/zinc/73/81/07/1384738107.db2.gz VHPDVJZCLHFWBJ-AJYBTWMASA-N 2 1 346.515 3.454 20 0 EGADMP COc1ccccc1[C@H](O)C[N@@H+](C(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128886 1384738108 /nfs/dbraw/zinc/73/81/08/1384738108.db2.gz VHPDVJZCLHFWBJ-AJYBTWMASA-N 2 1 346.515 3.454 20 0 EGADMP COc1ccccc1[C@H](O)C[NH+](C(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128886 1384738111 /nfs/dbraw/zinc/73/81/11/1384738111.db2.gz VHPDVJZCLHFWBJ-AJYBTWMASA-N 2 1 346.515 3.454 20 0 EGADMP COc1ccccc1[C@H](O)C[NH+](C(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128886 1384738114 /nfs/dbraw/zinc/73/81/14/1384738114.db2.gz VHPDVJZCLHFWBJ-AJYBTWMASA-N 2 1 346.515 3.454 20 0 EGADMP COCCC[NH+]1CCC([NH+]2CCC(c3ccccc3OC)CC2)CC1 ZINC001172256441 1384756465 /nfs/dbraw/zinc/75/64/65/1384756465.db2.gz WPKSPPKPOHAANV-UHFFFAOYSA-N 2 1 346.515 3.376 20 0 EGADMP CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001172318527 1384769085 /nfs/dbraw/zinc/76/90/85/1384769085.db2.gz JPROOAQOQHVJQI-QZTJIDSGSA-N 2 1 334.504 3.202 20 0 EGADMP COC(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001172599362 1384816341 /nfs/dbraw/zinc/81/63/41/1384816341.db2.gz BRMANGMNAGFRDB-ICSRJNTNSA-N 2 1 344.499 3.015 20 0 EGADMP CC(C)OC(=O)CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001172741493 1384841352 /nfs/dbraw/zinc/84/13/52/1384841352.db2.gz BEYFJHSEHPUMNF-QGZVFWFLSA-N 2 1 332.488 3.361 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)CC1 ZINC001172783621 1384851504 /nfs/dbraw/zinc/85/15/04/1384851504.db2.gz CAAMGRCADLMKCD-SJORKVTESA-N 2 1 345.487 3.051 20 0 EGADMP [NH3+]CCCC[NH+]1CCN(C2CCC(Cc3ccccc3)CC2)CC1 ZINC001172821236 1384859002 /nfs/dbraw/zinc/85/90/02/1384859002.db2.gz OFAQJOOWNZYNAY-UHFFFAOYSA-N 2 1 329.532 3.144 20 0 EGADMP CO[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001172953179 1384888462 /nfs/dbraw/zinc/88/84/62/1384888462.db2.gz ZGJNJHORCAKOGQ-IVAOSVALSA-N 2 1 328.500 3.398 20 0 EGADMP CO[C@@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001172953179 1384888464 /nfs/dbraw/zinc/88/84/64/1384888464.db2.gz ZGJNJHORCAKOGQ-IVAOSVALSA-N 2 1 328.500 3.398 20 0 EGADMP CO[C@@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001172953179 1384888467 /nfs/dbraw/zinc/88/84/67/1384888467.db2.gz ZGJNJHORCAKOGQ-IVAOSVALSA-N 2 1 328.500 3.398 20 0 EGADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001172965043 1384891028 /nfs/dbraw/zinc/89/10/28/1384891028.db2.gz XCHRSTKYLUSWML-INIZCTEOSA-N 2 1 339.524 3.192 20 0 EGADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001172965214 1384891782 /nfs/dbraw/zinc/89/17/82/1384891782.db2.gz YZEYRARLXGMLNV-SJORKVTESA-N 2 1 341.540 3.473 20 0 EGADMP C[C@H]1CC[C@H](n2c[nH+]cc2C2CC[NH2+]CC2)CN1C(=O)OC(C)(C)C ZINC001173073598 1384907362 /nfs/dbraw/zinc/90/73/62/1384907362.db2.gz DOMGEAYRQICLFI-HOCLYGCPSA-N 2 1 348.491 3.311 20 0 EGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001173081963 1384910101 /nfs/dbraw/zinc/91/01/01/1384910101.db2.gz HZSOAFGNJZTYHC-HIFRSBDPSA-N 2 1 330.394 3.448 20 0 EGADMP CCCOC1CCC([NH+]2CCC([N@@H+](CC)[C@@H]3CCOC3)CC2)CC1 ZINC001173099432 1384914392 /nfs/dbraw/zinc/91/43/92/1384914392.db2.gz CPKVJJMOUDAIJC-SKINQDTJSA-N 2 1 338.536 3.299 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCCN(c3ccc(F)cn3)CC2)CC1 ZINC001173108261 1384916337 /nfs/dbraw/zinc/91/63/37/1384916337.db2.gz IASQIJHAQLBYRC-UHFFFAOYSA-N 2 1 348.510 3.386 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)CC1 ZINC001173111368 1384916764 /nfs/dbraw/zinc/91/67/64/1384916764.db2.gz CCUNYWWQHUQBNY-XEVCZEQESA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H]([C@H](N)C(F)(F)F)C2)CC1 ZINC001173109754 1384917108 /nfs/dbraw/zinc/91/71/08/1384917108.db2.gz GFCGOOUUGBNLKQ-LMPOIIKSSA-N 2 1 335.458 3.241 20 0 EGADMP CCn1cc2c(n1)C[N@H+](C1CCC([NH+](CC)CC)CC1)C[C@@H]2COC ZINC001173111860 1384917253 /nfs/dbraw/zinc/91/72/53/1384917253.db2.gz RDTIQZPDZMHMKC-WWDZGPRUSA-N 2 1 348.535 3.102 20 0 EGADMP CCn1cc2c(n1)C[N@@H+](C1CCC([NH+](CC)CC)CC1)C[C@@H]2COC ZINC001173111860 1384917257 /nfs/dbraw/zinc/91/72/57/1384917257.db2.gz RDTIQZPDZMHMKC-WWDZGPRUSA-N 2 1 348.535 3.102 20 0 EGADMP c1nc2c(s1)C[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001173140609 1384922777 /nfs/dbraw/zinc/92/27/77/1384922777.db2.gz KWUCBBQQRZXGJY-GOSISDBHSA-N 2 1 341.524 3.297 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001317220860 1385001602 /nfs/dbraw/zinc/00/16/02/1385001602.db2.gz MRIXBXFENQFJBI-MNNVXMFVSA-N 2 1 349.494 3.246 20 0 EGADMP CC[NH+](CC)C1CC[NH+]([C@@H](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC001173727059 1385010168 /nfs/dbraw/zinc/01/01/68/1385010168.db2.gz HTFLDXKRAMGXTJ-INIZCTEOSA-N 2 1 332.488 3.210 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC001173734887 1385011598 /nfs/dbraw/zinc/01/15/98/1385011598.db2.gz LNTDKVBBMGJKCN-KRWDZBQOSA-N 2 1 344.499 3.355 20 0 EGADMP CN1CC[NH+](Cc2ccc(Nc3ccccc3C[NH+](C)C)cc2)CC1 ZINC001173929357 1385032427 /nfs/dbraw/zinc/03/24/27/1385032427.db2.gz CMHHVTGIHUZANM-UHFFFAOYSA-N 2 1 338.499 3.239 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CCC(C)(C)CC1 ZINC001317448473 1385148639 /nfs/dbraw/zinc/14/86/39/1385148639.db2.gz MWSYUBBZABCRAS-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC1CCC(C)(C)CC1 ZINC001317448473 1385148642 /nfs/dbraw/zinc/14/86/42/1385148642.db2.gz MWSYUBBZABCRAS-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001317448473 1385148643 /nfs/dbraw/zinc/14/86/43/1385148643.db2.gz MWSYUBBZABCRAS-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+]1CCN(c2ccc(Nc3cc[nH+]cc3C(F)(F)F)cc2)CC1 ZINC001174813277 1385152544 /nfs/dbraw/zinc/15/25/44/1385152544.db2.gz XAOFFJBWOUOCBD-UHFFFAOYSA-N 2 1 336.361 3.018 20 0 EGADMP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175255042 1385229789 /nfs/dbraw/zinc/22/97/89/1385229789.db2.gz BVVXYNWRABVVRP-RTBURBONSA-N 2 1 345.531 3.244 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175256892 1385230900 /nfs/dbraw/zinc/23/09/00/1385230900.db2.gz PVZJCEMHQJPUIP-ZWKOTPCHSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+](Cc2ccccc2C(C)C)C1 ZINC001317533493 1385262433 /nfs/dbraw/zinc/26/24/33/1385262433.db2.gz VZWYSXVAJLZLOW-GOSISDBHSA-N 2 1 345.531 3.090 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C(C)C)C1 ZINC001317533493 1385262435 /nfs/dbraw/zinc/26/24/35/1385262435.db2.gz VZWYSXVAJLZLOW-GOSISDBHSA-N 2 1 345.531 3.090 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2C(C)C)C1 ZINC001317533493 1385262437 /nfs/dbraw/zinc/26/24/37/1385262437.db2.gz VZWYSXVAJLZLOW-GOSISDBHSA-N 2 1 345.531 3.090 20 0 EGADMP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2Cc2ccnc(N(C)C)c2)CC1 ZINC001175351381 1385262512 /nfs/dbraw/zinc/26/25/12/1385262512.db2.gz LKACPADHBVMCIJ-IBGZPJMESA-N 2 1 330.520 3.234 20 0 EGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2Cc2ccnc(N(C)C)c2)CC1 ZINC001175351381 1385262514 /nfs/dbraw/zinc/26/25/14/1385262514.db2.gz LKACPADHBVMCIJ-IBGZPJMESA-N 2 1 330.520 3.234 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001175574530 1385336565 /nfs/dbraw/zinc/33/65/65/1385336565.db2.gz XOFZPBUKCMJZHA-IEBWSBKVSA-N 2 1 337.552 3.314 20 0 EGADMP CCC[NH2+][C@H](C)C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001317675762 1385381705 /nfs/dbraw/zinc/38/17/05/1385381705.db2.gz MYIRQUVCGVUJSC-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]([NH2+]CC1CCC1)c1ccccc1)CC(C)(C)C ZINC001317722885 1385423838 /nfs/dbraw/zinc/42/38/38/1385423838.db2.gz BFISDFNGZIVBBW-IBGZPJMESA-N 2 1 345.531 3.212 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC1CC2(CCC2)C1 ZINC001176024474 1385463888 /nfs/dbraw/zinc/46/38/88/1385463888.db2.gz OPICHMNLKUEOBN-QGZVFWFLSA-N 2 1 337.552 3.173 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)cc1 ZINC001176024805 1385463972 /nfs/dbraw/zinc/46/39/72/1385463972.db2.gz SFIMHAKBCZWDED-GOSISDBHSA-N 2 1 333.520 3.101 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C ZINC001176269248 1385532390 /nfs/dbraw/zinc/53/23/90/1385532390.db2.gz SSENIKYOWSVFPJ-LJQANCHMSA-N 2 1 347.547 3.492 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccsc1 ZINC001176269741 1385533230 /nfs/dbraw/zinc/53/32/30/1385533230.db2.gz XAGOTLXLGYXYDQ-INIZCTEOSA-N 2 1 339.549 3.245 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCc1ccc(C)cc1 ZINC001176286413 1385540127 /nfs/dbraw/zinc/54/01/27/1385540127.db2.gz VNNPPWWZFDQUFS-LJQANCHMSA-N 2 1 347.547 3.144 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001317856906 1385541724 /nfs/dbraw/zinc/54/17/24/1385541724.db2.gz KPXXQRNXOHUKRS-ICSRJNTNSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001317856906 1385541729 /nfs/dbraw/zinc/54/17/29/1385541729.db2.gz KPXXQRNXOHUKRS-ICSRJNTNSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001317856906 1385541733 /nfs/dbraw/zinc/54/17/33/1385541733.db2.gz KPXXQRNXOHUKRS-ICSRJNTNSA-N 2 1 345.531 3.260 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+](C)CCC2CC2)CC1 ZINC001317879441 1385557864 /nfs/dbraw/zinc/55/78/64/1385557864.db2.gz DPOTYNQGWXBHDF-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CCC2CC2)CC1 ZINC001317879441 1385557869 /nfs/dbraw/zinc/55/78/69/1385557869.db2.gz DPOTYNQGWXBHDF-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CCC2CC2)CC1 ZINC001317879441 1385557873 /nfs/dbraw/zinc/55/78/73/1385557873.db2.gz DPOTYNQGWXBHDF-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1cc(C[NH2+]CCCC[C@H](C)NC(=O)Cn2cc[nH+]c2C)cs1 ZINC001176591546 1385635004 /nfs/dbraw/zinc/63/50/04/1385635004.db2.gz LVRAIYGOHPHLCY-AWEZNQCLSA-N 2 1 348.516 3.026 20 0 EGADMP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC001318287383 1385642287 /nfs/dbraw/zinc/64/22/87/1385642287.db2.gz XDILCWSGYAHWHI-ZWKOTPCHSA-N 2 1 347.503 3.106 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC001318287383 1385642289 /nfs/dbraw/zinc/64/22/89/1385642289.db2.gz XDILCWSGYAHWHI-ZWKOTPCHSA-N 2 1 347.503 3.106 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176754870 1385685268 /nfs/dbraw/zinc/68/52/68/1385685268.db2.gz ZTIOHBWBTVOBCK-IBGZPJMESA-N 2 1 347.547 3.408 20 0 EGADMP CC(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001177266438 1385889510 /nfs/dbraw/zinc/88/95/10/1385889510.db2.gz HMVNOALJXLHYCT-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CC1CCCC1)CC1CCCC1 ZINC001177267521 1385890341 /nfs/dbraw/zinc/89/03/41/1385890341.db2.gz RFNCIZPWECGLPA-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)C1CCC1 ZINC001177345032 1385922276 /nfs/dbraw/zinc/92/22/76/1385922276.db2.gz JQMPMDHCKNXSFS-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001177440682 1385958494 /nfs/dbraw/zinc/95/84/94/1385958494.db2.gz PKKSSBQKMQLYHY-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001177663771 1386018525 /nfs/dbraw/zinc/01/85/25/1386018525.db2.gz GOUHCOHXILBERF-UHFFFAOYSA-N 2 1 345.531 3.016 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC001319282267 1386041331 /nfs/dbraw/zinc/04/13/31/1386041331.db2.gz JLJKQNUILPOBBB-MSOLQXFVSA-N 3 1 333.520 3.010 20 0 EGADMP CC[N@@H+]1CCC[C@@H](CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC001319282267 1386041335 /nfs/dbraw/zinc/04/13/35/1386041335.db2.gz JLJKQNUILPOBBB-MSOLQXFVSA-N 2 1 333.520 3.010 20 0 EGADMP CC[N@H+]1CCC[C@@H](CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC001319282267 1386041339 /nfs/dbraw/zinc/04/13/39/1386041339.db2.gz JLJKQNUILPOBBB-MSOLQXFVSA-N 2 1 333.520 3.010 20 0 EGADMP CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC001319282267 1386041346 /nfs/dbraw/zinc/04/13/46/1386041346.db2.gz JLJKQNUILPOBBB-MSOLQXFVSA-N 2 1 333.520 3.010 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001698626774 1406268980 /nfs/dbraw/zinc/26/89/80/1406268980.db2.gz OOYFAGBZLGFIBZ-RCCFBDPRSA-N 2 1 337.552 3.027 20 0 EGADMP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2nc3ccccc3n2C)n1 ZINC001319389883 1386099604 /nfs/dbraw/zinc/09/96/04/1386099604.db2.gz PZKKPFGNLXDBPD-MRXNPFEDSA-N 2 1 335.455 3.353 20 0 EGADMP Cc1cccc(NC[C@H]2CCCN2Cc2nc3ccccc3n2C)n1 ZINC001319389883 1386099607 /nfs/dbraw/zinc/09/96/07/1386099607.db2.gz PZKKPFGNLXDBPD-MRXNPFEDSA-N 2 1 335.455 3.353 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCCC1 ZINC001698635142 1406280157 /nfs/dbraw/zinc/28/01/57/1406280157.db2.gz ZBEXMCWFKWVWFA-ZWKOTPCHSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001178688241 1386277682 /nfs/dbraw/zinc/27/76/82/1386277682.db2.gz IFAJOONJSZQNPI-LJQANCHMSA-N 2 1 339.568 3.277 20 0 EGADMP CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001178688477 1386278068 /nfs/dbraw/zinc/27/80/68/1386278068.db2.gz JTLBFSCCNBMAAJ-GOSISDBHSA-N 2 1 325.541 3.031 20 0 EGADMP O=C(NCCCCCC[NH2+]CCCF)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001178692990 1386280034 /nfs/dbraw/zinc/28/00/34/1386280034.db2.gz GECXOBXMFCKJAH-GOSISDBHSA-N 2 1 341.515 3.019 20 0 EGADMP C[N@@H+](CC(=O)NCCCCCC[NH2+]CCC(C)(C)C)C1CCC1 ZINC001178701978 1386283443 /nfs/dbraw/zinc/28/34/43/1386283443.db2.gz HPJSMQPDWXBNNL-UHFFFAOYSA-N 2 1 325.541 3.173 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)[nH]n1 ZINC001319813924 1386311115 /nfs/dbraw/zinc/31/11/15/1386311115.db2.gz MFDNSSOBVFMSFH-IYBDPMFKSA-N 2 1 326.488 3.486 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)[nH]n1 ZINC001319813924 1386311120 /nfs/dbraw/zinc/31/11/20/1386311120.db2.gz MFDNSSOBVFMSFH-IYBDPMFKSA-N 2 1 326.488 3.486 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001178833607 1386321917 /nfs/dbraw/zinc/32/19/17/1386321917.db2.gz YRSWIIALLQFJOO-KRWDZBQOSA-N 2 1 325.541 3.173 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178925851 1386351014 /nfs/dbraw/zinc/35/10/14/1386351014.db2.gz KYEAHLTYVHLEAA-OJUCNMNVSA-N 2 1 335.536 3.186 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001179033694 1386384114 /nfs/dbraw/zinc/38/41/14/1386384114.db2.gz TVZOEOMGWQIWBL-QGZVFWFLSA-N 2 1 348.535 3.074 20 0 EGADMP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001319919740 1386391595 /nfs/dbraw/zinc/39/15/95/1386391595.db2.gz XBDKSFWRVJKHMX-HNAYVOBHSA-N 2 1 349.494 3.101 20 0 EGADMP CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001320049033 1386475807 /nfs/dbraw/zinc/47/58/07/1386475807.db2.gz BEHQTJPNTDCWLE-PBHICJAKSA-N 2 1 339.911 3.131 20 0 EGADMP CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001320049033 1386475812 /nfs/dbraw/zinc/47/58/12/1386475812.db2.gz BEHQTJPNTDCWLE-PBHICJAKSA-N 2 1 339.911 3.131 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001179585458 1386524018 /nfs/dbraw/zinc/52/40/18/1386524018.db2.gz IFTAMWUGUFTUIY-ROUUACIJSA-N 2 1 339.568 3.277 20 0 EGADMP O=C(NCCCCCC[NH2+]C/C=C\Cl)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179792604 1386587736 /nfs/dbraw/zinc/58/77/36/1386587736.db2.gz TWFMBNUEXUMYTJ-ANDZVCCMSA-N 2 1 341.927 3.022 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001179824004 1386597387 /nfs/dbraw/zinc/59/73/87/1386597387.db2.gz MMJKEXWBSSEJJU-UHFFFAOYSA-N 2 1 348.535 3.428 20 0 EGADMP CC[NH+]1CCC(C[N@H+](Cc2ccccc2OC)C[C@@H]2CCCO2)CC1 ZINC001179864178 1386610793 /nfs/dbraw/zinc/61/07/93/1386610793.db2.gz URDNZABOPDJZBG-FQEVSTJZSA-N 2 1 346.515 3.408 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001179988470 1386660082 /nfs/dbraw/zinc/66/00/82/1386660082.db2.gz IELHLAQTLAQMPM-UHFFFAOYSA-N 2 1 325.541 3.175 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CCCC(C)C ZINC001180117880 1386702544 /nfs/dbraw/zinc/70/25/44/1386702544.db2.gz KFJLVDVTYYIENK-UHFFFAOYSA-N 2 1 327.557 3.421 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]CC1CCC(C)CC1 ZINC001180123668 1386704189 /nfs/dbraw/zinc/70/41/89/1386704189.db2.gz KLFQAPZKGZVPJL-UHFFFAOYSA-N 2 1 339.568 3.421 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001320787971 1386718742 /nfs/dbraw/zinc/71/87/42/1386718742.db2.gz LBGNFZVCOMOUFB-MRXNPFEDSA-N 2 1 336.549 3.358 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001320787971 1386718748 /nfs/dbraw/zinc/71/87/48/1386718748.db2.gz LBGNFZVCOMOUFB-MRXNPFEDSA-N 2 1 336.549 3.358 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001320864468 1386742282 /nfs/dbraw/zinc/74/22/82/1386742282.db2.gz WMHKWBLXOJTZOD-QUCCMNQESA-N 2 1 345.531 3.449 20 0 EGADMP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC001320884318 1386747955 /nfs/dbraw/zinc/74/79/55/1386747955.db2.gz WQRRUCWIPQTUHR-SFHVURJKSA-N 2 1 345.487 3.024 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC001320884318 1386747962 /nfs/dbraw/zinc/74/79/62/1386747962.db2.gz WQRRUCWIPQTUHR-SFHVURJKSA-N 2 1 345.487 3.024 20 0 EGADMP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc(F)cc1 ZINC001180264962 1386750172 /nfs/dbraw/zinc/75/01/72/1386750172.db2.gz LQKVCILMGNIAEI-FUHWJXTLSA-N 2 1 349.494 3.105 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001320929537 1386761615 /nfs/dbraw/zinc/76/16/15/1386761615.db2.gz RFMZIZLACGATTA-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001180372718 1386777630 /nfs/dbraw/zinc/77/76/30/1386777630.db2.gz IASCMKBJUKCJPG-SFFCAUCYSA-N 2 1 337.552 3.483 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001181896897 1387072583 /nfs/dbraw/zinc/07/25/83/1387072583.db2.gz RJSXFQIDEGQLFY-QLUPPNIVSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@]1(C)C[NH2+]CCCC1CCC1 ZINC001181904425 1387073195 /nfs/dbraw/zinc/07/31/95/1387073195.db2.gz SLUUJHYQMSFJOW-SLYNCCJLSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(C3CC[NH+](C)CC3)cc2)C1 ZINC001181977505 1387086081 /nfs/dbraw/zinc/08/60/81/1387086081.db2.gz LIKCHUBLYPWGIQ-GOSISDBHSA-N 2 1 329.488 3.165 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)NCC[C@@H]1CCC[NH+]1C)c1ccccc1 ZINC001182236543 1387128777 /nfs/dbraw/zinc/12/87/77/1387128777.db2.gz ROUGSCRPOVFORG-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+](CC)[C@H](C(=O)NCC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001182236543 1387128783 /nfs/dbraw/zinc/12/87/83/1387128783.db2.gz ROUGSCRPOVFORG-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+](CC)[C@H](C(=O)NCC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001182236543 1387128786 /nfs/dbraw/zinc/12/87/86/1387128786.db2.gz ROUGSCRPOVFORG-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001322268685 1387129341 /nfs/dbraw/zinc/12/93/41/1387129341.db2.gz GFJHPJPTIUSLDI-DLBZAZTESA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC=C(C)C)C2)C1 ZINC001182346797 1387154331 /nfs/dbraw/zinc/15/43/31/1387154331.db2.gz XURAUCTWLDOFLC-SFHLNBCPSA-N 2 1 349.563 3.149 20 0 EGADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001322667828 1387221622 /nfs/dbraw/zinc/22/16/22/1387221622.db2.gz PQKBXFFQMYTGIR-SFHVURJKSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001322667828 1387221625 /nfs/dbraw/zinc/22/16/25/1387221625.db2.gz PQKBXFFQMYTGIR-SFHVURJKSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001322667828 1387221630 /nfs/dbraw/zinc/22/16/30/1387221630.db2.gz PQKBXFFQMYTGIR-SFHVURJKSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001322667828 1387221633 /nfs/dbraw/zinc/22/16/33/1387221633.db2.gz PQKBXFFQMYTGIR-SFHVURJKSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001336071467 1389007203 /nfs/dbraw/zinc/00/72/03/1389007203.db2.gz JQPJEOBDKVOVHU-QPIRBTGLSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001329622367 1389188317 /nfs/dbraw/zinc/18/83/17/1389188317.db2.gz DAEUZLNCVBCRQI-OALUTQOASA-N 2 1 345.531 3.369 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001330499979 1389433062 /nfs/dbraw/zinc/43/30/62/1389433062.db2.gz PNGLRRNYELYIEJ-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001330499979 1389433066 /nfs/dbraw/zinc/43/30/66/1389433066.db2.gz PNGLRRNYELYIEJ-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001330499979 1389433069 /nfs/dbraw/zinc/43/30/69/1389433069.db2.gz PNGLRRNYELYIEJ-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccn2C2CC2)CC1 ZINC001330529705 1389445923 /nfs/dbraw/zinc/44/59/23/1389445923.db2.gz UEGCVFUIDCENPF-UHFFFAOYSA-N 2 1 333.520 3.393 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CC)CC2 ZINC001698735455 1406386318 /nfs/dbraw/zinc/38/63/18/1406386318.db2.gz LZPJKWSQFNWVAG-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C1)CCN(C(=O)CC[N@H+](C)CC)CC2 ZINC001698735455 1406386320 /nfs/dbraw/zinc/38/63/20/1406386320.db2.gz LZPJKWSQFNWVAG-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C1)CCN(C(=O)CC[N@@H+](C)CC)CC2 ZINC001698735455 1406386322 /nfs/dbraw/zinc/38/63/22/1406386322.db2.gz LZPJKWSQFNWVAG-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP C[N@@H+](CC(=O)N1CCC2(CC[NH+](CCC3CC3)C2)CC1)CC(C)(C)C ZINC001698736559 1406387791 /nfs/dbraw/zinc/38/77/91/1406387791.db2.gz ZZZQGVRGPBAJIY-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC(=O)N1CCC2(CC[N@H+](CCC3CC3)C2)CC1)CC(C)(C)C ZINC001698736559 1406387796 /nfs/dbraw/zinc/38/77/96/1406387796.db2.gz ZZZQGVRGPBAJIY-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC(=O)N1CCC2(CC[N@@H+](CCC3CC3)C2)CC1)CC(C)(C)C ZINC001698736559 1406387799 /nfs/dbraw/zinc/38/77/99/1406387799.db2.gz ZZZQGVRGPBAJIY-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001332199538 1390036555 /nfs/dbraw/zinc/03/65/55/1390036555.db2.gz QDOPQOJKQTVNFU-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001332199538 1390036560 /nfs/dbraw/zinc/03/65/60/1390036560.db2.gz QDOPQOJKQTVNFU-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001332199538 1390036568 /nfs/dbraw/zinc/03/65/68/1390036568.db2.gz QDOPQOJKQTVNFU-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CCC[N@H+]1CCC1CC1 ZINC001332221080 1390053321 /nfs/dbraw/zinc/05/33/21/1390053321.db2.gz WUGMKKGKFUDSJW-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1cccs1 ZINC001333465679 1390311194 /nfs/dbraw/zinc/31/11/94/1390311194.db2.gz MDFAZHCUQPNCEP-MRXNPFEDSA-N 2 1 329.513 3.346 20 0 EGADMP CC[C@H](C)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001340866040 1390389079 /nfs/dbraw/zinc/38/90/79/1390389079.db2.gz WVTVLARBEKBXDQ-HNJRGHQBSA-N 2 1 345.531 3.261 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc([C@@H]4CCCO4)s3)C[C@@H]2C1 ZINC001335133197 1390646391 /nfs/dbraw/zinc/64/63/91/1390646391.db2.gz DQCONCTXWBQZJG-DLTWYDFYSA-N 2 1 335.517 3.157 20 0 EGADMP Cn1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(C2CCCC2)n1 ZINC001335582961 1390706158 /nfs/dbraw/zinc/70/61/58/1390706158.db2.gz OSCQVYGUPLGVOJ-JENIJYKNSA-N 2 1 330.520 3.240 20 0 EGADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)c(F)c1 ZINC001346289365 1390920109 /nfs/dbraw/zinc/92/01/09/1390920109.db2.gz UAXBEYNXKCNKLH-KBXCAEBGSA-N 2 1 340.870 3.224 20 0 EGADMP C[NH2+][C@H](C)CC[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001348515632 1391231167 /nfs/dbraw/zinc/23/11/67/1391231167.db2.gz OCEXKOHVQXDZGP-CYBMUJFWSA-N 2 1 340.393 3.038 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(F)c1OC ZINC001352113401 1391760807 /nfs/dbraw/zinc/76/08/07/1391760807.db2.gz RVKRNYFYODCGIB-IMJJTQAJSA-N 2 1 336.451 3.005 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(F)c1OC ZINC001352113402 1391760842 /nfs/dbraw/zinc/76/08/42/1391760842.db2.gz RVKRNYFYODCGIB-NUEKZKHPSA-N 2 1 336.451 3.005 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cn3ccc(-c4ccsc4)n3)C[C@H]2C1 ZINC001352760949 1391844752 /nfs/dbraw/zinc/84/47/52/1391844752.db2.gz MWTJRBYOMUTQSU-USXIJHARSA-N 2 1 330.501 3.231 20 0 EGADMP [NH3+]Cc1nccnc1NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001354110231 1392120858 /nfs/dbraw/zinc/12/08/58/1392120858.db2.gz YJXXTXWCGWIQFW-MRXNPFEDSA-N 2 1 345.878 3.055 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001480739539 1392904824 /nfs/dbraw/zinc/90/48/24/1392904824.db2.gz QXNWYYDEJCCHKO-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)[C@H](C)c2ccccc2)C1 ZINC001480739539 1392904827 /nfs/dbraw/zinc/90/48/27/1392904827.db2.gz QXNWYYDEJCCHKO-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)c2ccccc2)C1 ZINC001480739539 1392904828 /nfs/dbraw/zinc/90/48/28/1392904828.db2.gz QXNWYYDEJCCHKO-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001481119865 1393124796 /nfs/dbraw/zinc/12/47/96/1393124796.db2.gz RPCNKJCOSDQQRP-IBGZPJMESA-N 2 1 337.552 3.127 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001481119865 1393124797 /nfs/dbraw/zinc/12/47/97/1393124797.db2.gz RPCNKJCOSDQQRP-IBGZPJMESA-N 2 1 337.552 3.127 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001481119865 1393124798 /nfs/dbraw/zinc/12/47/98/1393124798.db2.gz RPCNKJCOSDQQRP-IBGZPJMESA-N 2 1 337.552 3.127 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1cc(C)cc(C)c1 ZINC001481144090 1393132356 /nfs/dbraw/zinc/13/23/56/1393132356.db2.gz CGOXYENQEZSZBU-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1cc(C)cc(C)c1 ZINC001481144090 1393132357 /nfs/dbraw/zinc/13/23/57/1393132357.db2.gz CGOXYENQEZSZBU-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CC(C)C ZINC001481144278 1393132421 /nfs/dbraw/zinc/13/24/21/1393132421.db2.gz FFCQBTXZVFXZLW-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)CC(C)C ZINC001481144278 1393132422 /nfs/dbraw/zinc/13/24/22/1393132422.db2.gz FFCQBTXZVFXZLW-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)CC(C)C ZINC001481144278 1393132423 /nfs/dbraw/zinc/13/24/23/1393132423.db2.gz FFCQBTXZVFXZLW-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](CCNC(=O)C2([NH+](C)C)CCC2)C2CC2)c1 ZINC001481173282 1393141047 /nfs/dbraw/zinc/14/10/47/1393141047.db2.gz NZLQUQWGRRDTLF-KRWDZBQOSA-N 2 1 343.515 3.121 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)c1cccc(F)c1 ZINC001481287827 1393158850 /nfs/dbraw/zinc/15/88/50/1393158850.db2.gz ORKVBVRYOZGMMM-VQIMIIECSA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1)[NH+](CC)CC ZINC001490560869 1394260794 /nfs/dbraw/zinc/26/07/94/1394260794.db2.gz YZWFREYPHZSNCH-PMACEKPBSA-N 2 1 345.531 3.114 20 0 EGADMP CCCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH+](CC)CC1 ZINC001490615757 1394284036 /nfs/dbraw/zinc/28/40/36/1394284036.db2.gz AUKKRPCBAUXHTC-GOSISDBHSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001481444196 1394297442 /nfs/dbraw/zinc/29/74/42/1394297442.db2.gz KJRKQPGAGQAHIW-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001491299635 1394500984 /nfs/dbraw/zinc/50/09/84/1394500984.db2.gz HPVUDXCIZBNZKE-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@]1(C[NH2+]CC2CC2)CCCC[C@@H]1C ZINC001481961709 1394623221 /nfs/dbraw/zinc/62/32/21/1394623221.db2.gz NVWLBWDGGLCXJG-OXJNMPFZSA-N 2 1 346.519 3.071 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCC2CCCC2)C1 ZINC001482477786 1395032081 /nfs/dbraw/zinc/03/20/81/1395032081.db2.gz IDZPRKZHDHWSAK-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@@H+](C)CCC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001482509066 1395062741 /nfs/dbraw/zinc/06/27/41/1395062741.db2.gz PKJMYMQKSMRKGB-UHFFFAOYSA-N 2 1 345.531 3.331 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@]1(C)CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001484176866 1395322630 /nfs/dbraw/zinc/32/26/30/1395322630.db2.gz ZJOAWYNPRUDGCJ-OAQYLSRUSA-N 2 1 345.531 3.055 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC001484176866 1395322634 /nfs/dbraw/zinc/32/26/34/1395322634.db2.gz ZJOAWYNPRUDGCJ-OAQYLSRUSA-N 2 1 345.531 3.055 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001484176866 1395322640 /nfs/dbraw/zinc/32/26/40/1395322640.db2.gz ZJOAWYNPRUDGCJ-OAQYLSRUSA-N 2 1 345.531 3.055 20 0 EGADMP CCCCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001484324104 1395341648 /nfs/dbraw/zinc/34/16/48/1395341648.db2.gz OKGAQYISQUZZBD-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001494908458 1396508928 /nfs/dbraw/zinc/50/89/28/1396508928.db2.gz ABKXHUSGUSRQML-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP C[C@H](C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1)NC(=O)CCC[NH+](C)C ZINC001498370075 1396977724 /nfs/dbraw/zinc/97/77/24/1396977724.db2.gz UPFGJJBIHJOEEG-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001498457738 1397005285 /nfs/dbraw/zinc/00/52/85/1397005285.db2.gz TWQZVLSIJLAXMH-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001690049539 1404283555 /nfs/dbraw/zinc/28/35/55/1404283555.db2.gz WZONNFSVODIVQH-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001690049539 1404283559 /nfs/dbraw/zinc/28/35/59/1404283559.db2.gz WZONNFSVODIVQH-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001690049539 1404283564 /nfs/dbraw/zinc/28/35/64/1404283564.db2.gz WZONNFSVODIVQH-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001690498428 1404611489 /nfs/dbraw/zinc/61/14/89/1404611489.db2.gz HZHLTHYEUXPQEW-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1cccc(F)c1 ZINC001691019663 1404934377 /nfs/dbraw/zinc/93/43/77/1404934377.db2.gz DSETVPLVTYSAKT-UHFFFAOYSA-N 2 1 349.494 3.028 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)Cc1cc(C)ccc1C ZINC001691055298 1404974222 /nfs/dbraw/zinc/97/42/22/1404974222.db2.gz AHMRIZDVMADHGT-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)Cc1cc(C)ccc1C ZINC001691055298 1404974227 /nfs/dbraw/zinc/97/42/27/1404974227.db2.gz AHMRIZDVMADHGT-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)Cc1cc(C)ccc1C ZINC001691055298 1404974230 /nfs/dbraw/zinc/97/42/30/1404974230.db2.gz AHMRIZDVMADHGT-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1 ZINC001725505220 1426187296 /nfs/dbraw/zinc/18/72/96/1426187296.db2.gz KGYUXWKAOHTFTI-DLBZAZTESA-N 2 1 333.520 3.162 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001691154052 1405087957 /nfs/dbraw/zinc/08/79/57/1405087957.db2.gz JEUCGCPVSNIAKR-QFBILLFUSA-N 2 1 349.494 3.057 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001691463014 1405284771 /nfs/dbraw/zinc/28/47/71/1405284771.db2.gz DHXSWYBKPBXOLQ-LMMKCTJWSA-N 2 1 345.531 3.210 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1)[NH+](C)C ZINC001692093310 1405768953 /nfs/dbraw/zinc/76/89/53/1405768953.db2.gz ZFVIJZBTMILMJW-IPELMVKDSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2)C1)[NH+](C)C ZINC001692093310 1405768954 /nfs/dbraw/zinc/76/89/54/1405768954.db2.gz ZFVIJZBTMILMJW-IPELMVKDSA-N 2 1 349.494 3.054 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001698547606 1406145139 /nfs/dbraw/zinc/14/51/39/1406145139.db2.gz YQGICAPQGFHDOK-VDGAXYAQSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001698572864 1406178478 /nfs/dbraw/zinc/17/84/78/1406178478.db2.gz KFRJFXWYEUVTSD-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001698572864 1406178480 /nfs/dbraw/zinc/17/84/80/1406178480.db2.gz KFRJFXWYEUVTSD-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001698572864 1406178484 /nfs/dbraw/zinc/17/84/84/1406178484.db2.gz KFRJFXWYEUVTSD-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001698588631 1406208596 /nfs/dbraw/zinc/20/85/96/1406208596.db2.gz RPVRHUDADQRRIY-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCN(C(=O)CC[N@H+](C)CC)[C@H]1CC[NH+](Cc2cc(C)ccc2C)C1 ZINC001698588631 1406208599 /nfs/dbraw/zinc/20/85/99/1406208599.db2.gz RPVRHUDADQRRIY-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCN(C(=O)CC[N@@H+](C)CC)[C@H]1CC[NH+](Cc2cc(C)ccc2C)C1 ZINC001698588631 1406208603 /nfs/dbraw/zinc/20/86/03/1406208603.db2.gz RPVRHUDADQRRIY-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCCN(C(=O)C[NH+](C)CCC)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001732041609 1428270914 /nfs/dbraw/zinc/27/09/14/1428270914.db2.gz SQHAVZHFNSTHRT-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCN(C(=O)C[N@H+](C)CCC)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001732041609 1428270915 /nfs/dbraw/zinc/27/09/15/1428270915.db2.gz SQHAVZHFNSTHRT-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CCC)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001732041609 1428270918 /nfs/dbraw/zinc/27/09/18/1428270918.db2.gz SQHAVZHFNSTHRT-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001732165011 1428407175 /nfs/dbraw/zinc/40/71/75/1428407175.db2.gz JBXKBTFCAYKPAF-VQTJNVASSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001732165011 1428407181 /nfs/dbraw/zinc/40/71/81/1428407181.db2.gz JBXKBTFCAYKPAF-VQTJNVASSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001732165011 1428407183 /nfs/dbraw/zinc/40/71/83/1428407183.db2.gz JBXKBTFCAYKPAF-VQTJNVASSA-N 2 1 343.515 3.155 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001699467825 1412838716 /nfs/dbraw/zinc/83/87/16/1412838716.db2.gz OGUUYQDTGUIFST-RBUKOAKNSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2C)C[C@@H]1C ZINC001699737708 1413148796 /nfs/dbraw/zinc/14/87/96/1413148796.db2.gz JIJCHRANJIXQNL-OALUTQOASA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001699853021 1413282679 /nfs/dbraw/zinc/28/26/79/1413282679.db2.gz GQTPCYITBJBIDR-OXJNMPFZSA-N 2 1 349.494 3.057 20 0 EGADMP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001699977357 1413420834 /nfs/dbraw/zinc/42/08/34/1413420834.db2.gz FMQVVFMKONSGQH-RDGPPVDQSA-N 2 1 337.552 3.122 20 0 EGADMP Cc1ccc(C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)c(C)c1 ZINC001700473891 1414095363 /nfs/dbraw/zinc/09/53/63/1414095363.db2.gz JPWBIWCCFZQHNP-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c(C)c1 ZINC001700473891 1414095369 /nfs/dbraw/zinc/09/53/69/1414095369.db2.gz JPWBIWCCFZQHNP-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c(C)c1 ZINC001700473891 1414095377 /nfs/dbraw/zinc/09/53/77/1414095377.db2.gz JPWBIWCCFZQHNP-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)[C@H](C)c1cccc(F)c1 ZINC001700479884 1414113778 /nfs/dbraw/zinc/11/37/78/1414113778.db2.gz CTQHNKJOFVCUOL-IAGOWNOFSA-N 2 1 349.494 3.055 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001700802027 1414467710 /nfs/dbraw/zinc/46/77/10/1414467710.db2.gz SLXGGJBOXRIZGP-IRXDYDNUSA-N 2 1 345.531 3.015 20 0 EGADMP C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCC[N@H+]1CCC1CC1 ZINC001700880439 1414535855 /nfs/dbraw/zinc/53/58/55/1414535855.db2.gz MKFVDZPXDCSRKN-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001732973590 1429100563 /nfs/dbraw/zinc/10/05/63/1429100563.db2.gz BBHLYSUZBFGJJL-SJORKVTESA-N 2 1 342.487 3.170 20 0 EGADMP C[C@@H](C[N@@H+](C)CCC1CCCCCC1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001733040833 1429169680 /nfs/dbraw/zinc/16/96/80/1429169680.db2.gz AHBSAVLXHZKTBP-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](C[NH+](C)CCC1CCCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001733040833 1429169682 /nfs/dbraw/zinc/16/96/82/1429169682.db2.gz AHBSAVLXHZKTBP-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](C[NH+](C)CCC1CCCCCC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001733040833 1429169685 /nfs/dbraw/zinc/16/96/85/1429169685.db2.gz AHBSAVLXHZKTBP-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001707439012 1417342991 /nfs/dbraw/zinc/34/29/91/1417342991.db2.gz BRMNZFIXKPUSSU-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCC1CCCC1 ZINC001707442626 1417346644 /nfs/dbraw/zinc/34/66/44/1417346644.db2.gz HLVVDGXCSAKICY-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1c(C(=O)N[C@@H](C)C[N@@H+](C)CC2CCCCC2)ccc2c[nH+]cn21 ZINC001733044627 1429177189 /nfs/dbraw/zinc/17/71/89/1429177189.db2.gz ZRZKQGDHNLZYSG-HNNXBMFYSA-N 2 1 342.487 3.273 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001713060739 1417616330 /nfs/dbraw/zinc/61/63/30/1417616330.db2.gz IWCGLVQDMVTDGY-KFONASLZSA-N 2 1 347.547 3.330 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001713060739 1417616333 /nfs/dbraw/zinc/61/63/33/1417616333.db2.gz IWCGLVQDMVTDGY-KFONASLZSA-N 2 1 347.547 3.330 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001713060739 1417616335 /nfs/dbraw/zinc/61/63/35/1417616335.db2.gz IWCGLVQDMVTDGY-KFONASLZSA-N 2 1 347.547 3.330 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001713180672 1417754588 /nfs/dbraw/zinc/75/45/88/1417754588.db2.gz SKQRBQSGIVQMCL-IHWFROFDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001713180672 1417754593 /nfs/dbraw/zinc/75/45/93/1417754593.db2.gz SKQRBQSGIVQMCL-IHWFROFDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001713180672 1417754595 /nfs/dbraw/zinc/75/45/95/1417754595.db2.gz SKQRBQSGIVQMCL-IHWFROFDSA-N 2 1 349.563 3.410 20 0 EGADMP CCc1ccccc1C[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001713396043 1418012194 /nfs/dbraw/zinc/01/21/94/1418012194.db2.gz UASSMPGUUCGCIF-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001713541789 1418303697 /nfs/dbraw/zinc/30/36/97/1418303697.db2.gz NUNRJPIMHIPBGB-RTBURBONSA-N 2 1 343.515 3.062 20 0 EGADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C)c1cccc2ccccc21 ZINC001713623128 1418398211 /nfs/dbraw/zinc/39/82/11/1418398211.db2.gz SIBUCZHXBCYRHV-OXJNMPFZSA-N 2 1 339.483 3.043 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@H]1CCC[C@@H](C)C1 ZINC001713711229 1418470924 /nfs/dbraw/zinc/47/09/24/1418470924.db2.gz DVAVVLARVKLIHJ-WTGUMLROSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]1CCC[C@@H](C)C1 ZINC001713711229 1418470928 /nfs/dbraw/zinc/47/09/28/1418470928.db2.gz DVAVVLARVKLIHJ-WTGUMLROSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H]1CCC[C@@H](C)C1 ZINC001713711229 1418470931 /nfs/dbraw/zinc/47/09/31/1418470931.db2.gz DVAVVLARVKLIHJ-WTGUMLROSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CC[NH+](CC(=O)N2CC[C@H](C[N@@H+](C)CCC3CCCC3)C2)CC1 ZINC001713757923 1418563711 /nfs/dbraw/zinc/56/37/11/1418563711.db2.gz NCIUTHGYVCHQAM-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cccc(CC)c2)C1 ZINC001713791221 1418609537 /nfs/dbraw/zinc/60/95/37/1418609537.db2.gz RDMPYOKHKCYGFU-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(CC)c2)C1 ZINC001713791221 1418609538 /nfs/dbraw/zinc/60/95/38/1418609538.db2.gz RDMPYOKHKCYGFU-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(CC)c2)C1 ZINC001713791221 1418609543 /nfs/dbraw/zinc/60/95/43/1418609543.db2.gz RDMPYOKHKCYGFU-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CC[NH+](CCCF)CC1 ZINC001713858984 1418656315 /nfs/dbraw/zinc/65/63/15/1418656315.db2.gz ZXTQBDQMRNEENU-UHFFFAOYSA-N 2 1 343.531 3.027 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@H+]2CC2CCCCC2)CCC1 ZINC001714106935 1418906655 /nfs/dbraw/zinc/90/66/55/1418906655.db2.gz DJHXCYJCKKCVMU-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001714117330 1418921030 /nfs/dbraw/zinc/92/10/30/1418921030.db2.gz VDWFOLLMVIJDSX-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001714117330 1418921035 /nfs/dbraw/zinc/92/10/35/1418921035.db2.gz VDWFOLLMVIJDSX-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001714117330 1418921039 /nfs/dbraw/zinc/92/10/39/1418921039.db2.gz VDWFOLLMVIJDSX-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001714334912 1419113528 /nfs/dbraw/zinc/11/35/28/1419113528.db2.gz XMBXJBJBEVDMCX-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@@H+](C)CCNC(=O)C[NH+](C)C2CCC2)cc1 ZINC001714549107 1419275701 /nfs/dbraw/zinc/27/57/01/1419275701.db2.gz ZWHNWUPIRVIZHJ-KRWDZBQOSA-N 2 1 345.531 3.403 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+](C)CCNC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001714549107 1419275703 /nfs/dbraw/zinc/27/57/03/1419275703.db2.gz ZWHNWUPIRVIZHJ-KRWDZBQOSA-N 2 1 345.531 3.403 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+](C)CCNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001714549107 1419275706 /nfs/dbraw/zinc/27/57/06/1419275706.db2.gz ZWHNWUPIRVIZHJ-KRWDZBQOSA-N 2 1 345.531 3.403 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001714616362 1419378501 /nfs/dbraw/zinc/37/85/01/1419378501.db2.gz HRTNPQPXANGNTM-AZUAARDMSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@H](C[NH2+]CC1CCC(C)(C)CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001714723260 1419483881 /nfs/dbraw/zinc/48/38/81/1419483881.db2.gz JONNGISECMSNRW-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CCC[NH+](CCC2CC2)C1)c1ccccc1 ZINC001714922791 1419675407 /nfs/dbraw/zinc/67/54/07/1419675407.db2.gz HPZVPJWAHCEJEV-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CCC[NH+](CCC2CC2)C1)c1ccccc1 ZINC001714922791 1419675412 /nfs/dbraw/zinc/67/54/12/1419675412.db2.gz HPZVPJWAHCEJEV-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)C1)c1ccccc1 ZINC001714922791 1419675414 /nfs/dbraw/zinc/67/54/14/1419675414.db2.gz HPZVPJWAHCEJEV-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)C1)c1ccccc1 ZINC001714922791 1419675418 /nfs/dbraw/zinc/67/54/18/1419675418.db2.gz HPZVPJWAHCEJEV-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001714943252 1419687279 /nfs/dbraw/zinc/68/72/79/1419687279.db2.gz GNGRMLDEHVXVHW-INIZCTEOSA-N 2 1 331.504 3.013 20 0 EGADMP CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001715017401 1419746423 /nfs/dbraw/zinc/74/64/23/1419746423.db2.gz FPJSKEPTFJQNTO-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001715017401 1419746427 /nfs/dbraw/zinc/74/64/27/1419746427.db2.gz FPJSKEPTFJQNTO-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001715017401 1419746429 /nfs/dbraw/zinc/74/64/29/1419746429.db2.gz FPJSKEPTFJQNTO-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC001715997540 1420451590 /nfs/dbraw/zinc/45/15/90/1420451590.db2.gz VOWJHKANDYBPGA-DLBZAZTESA-N 2 1 342.487 3.170 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC001716767774 1420912881 /nfs/dbraw/zinc/91/28/81/1420912881.db2.gz PQUXOJBFLKWMQU-WMZOPIPTSA-N 2 1 348.535 3.412 20 0 EGADMP C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1 ZINC001716864179 1420993713 /nfs/dbraw/zinc/99/37/13/1420993713.db2.gz BUNLYVHWHMCJHU-UTKZUKDTSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001717125039 1421127197 /nfs/dbraw/zinc/12/71/97/1421127197.db2.gz XITLFFBUVFDWGY-SZMVWBNQSA-N 2 1 346.519 3.043 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001717145178 1421138168 /nfs/dbraw/zinc/13/81/68/1421138168.db2.gz KASWJPGRZHKVNG-MRNGTQDMSA-N 2 1 349.563 3.434 20 0 EGADMP CCc1ccccc1C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001717208654 1421180701 /nfs/dbraw/zinc/18/07/01/1421180701.db2.gz HLJHOKGVFVGIQD-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccccc1C[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001717208654 1421180702 /nfs/dbraw/zinc/18/07/02/1421180702.db2.gz HLJHOKGVFVGIQD-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccccc1C[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001717208654 1421180704 /nfs/dbraw/zinc/18/07/04/1421180704.db2.gz HLJHOKGVFVGIQD-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001717213512 1421189121 /nfs/dbraw/zinc/18/91/21/1421189121.db2.gz OKOSGWYODACEJO-UHFFFAOYSA-N 2 1 345.531 3.087 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+](C(C)C)C1 ZINC001717217239 1421195510 /nfs/dbraw/zinc/19/55/10/1421195510.db2.gz PJNBUNZLLUFJII-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001717217239 1421195512 /nfs/dbraw/zinc/19/55/12/1421195512.db2.gz PJNBUNZLLUFJII-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+](C(C)C)C1 ZINC001717217239 1421195514 /nfs/dbraw/zinc/19/55/14/1421195514.db2.gz PJNBUNZLLUFJII-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001717217547 1421195706 /nfs/dbraw/zinc/19/57/06/1421195706.db2.gz SKLYERZVEVZHCU-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001717217547 1421195709 /nfs/dbraw/zinc/19/57/09/1421195709.db2.gz SKLYERZVEVZHCU-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001717217547 1421195711 /nfs/dbraw/zinc/19/57/11/1421195711.db2.gz SKLYERZVEVZHCU-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001717371315 1421310049 /nfs/dbraw/zinc/31/00/49/1421310049.db2.gz OBSVZLZJIYOMRG-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001717540504 1421480771 /nfs/dbraw/zinc/48/07/71/1421480771.db2.gz PHMYVBAMNSYJPR-QGZVFWFLSA-N 2 1 334.508 3.167 20 0 EGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001717540504 1421480773 /nfs/dbraw/zinc/48/07/73/1421480773.db2.gz PHMYVBAMNSYJPR-QGZVFWFLSA-N 2 1 334.508 3.167 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001717705494 1421580568 /nfs/dbraw/zinc/58/05/68/1421580568.db2.gz OLGCXSRFZXHPPX-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001717705494 1421580570 /nfs/dbraw/zinc/58/05/70/1421580570.db2.gz OLGCXSRFZXHPPX-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001717705494 1421580572 /nfs/dbraw/zinc/58/05/72/1421580572.db2.gz OLGCXSRFZXHPPX-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001717741690 1421605241 /nfs/dbraw/zinc/60/52/41/1421605241.db2.gz VCEWAXCBCHHMDT-KRWDZBQOSA-N 2 1 347.547 3.163 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)CC(C)C ZINC001724118689 1424672790 /nfs/dbraw/zinc/67/27/90/1424672790.db2.gz HVJSJLVUHJXEKY-QRVBRYPASA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CC(C)C ZINC001724118689 1424672792 /nfs/dbraw/zinc/67/27/92/1424672792.db2.gz HVJSJLVUHJXEKY-QRVBRYPASA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)CC(C)C ZINC001724118689 1424672795 /nfs/dbraw/zinc/67/27/95/1424672795.db2.gz HVJSJLVUHJXEKY-QRVBRYPASA-N 2 1 337.552 3.076 20 0 EGADMP CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001724613682 1424957473 /nfs/dbraw/zinc/95/74/73/1424957473.db2.gz NRSIZUASJSTXGM-GGPHIMKMSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001724613682 1424957474 /nfs/dbraw/zinc/95/74/74/1424957474.db2.gz NRSIZUASJSTXGM-GGPHIMKMSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001724613682 1424957478 /nfs/dbraw/zinc/95/74/78/1424957478.db2.gz NRSIZUASJSTXGM-GGPHIMKMSA-N 2 1 335.536 3.020 20 0 EGADMP CCc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC2)cc1 ZINC001724848237 1425203943 /nfs/dbraw/zinc/20/39/43/1425203943.db2.gz YHZVTVWJKMDTQE-UXHICEINSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1ccccc1C ZINC001724859269 1425240335 /nfs/dbraw/zinc/24/03/35/1425240335.db2.gz BMNOMQHAXNLJGM-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CCC[N@H+](C)Cc1ccccc1C ZINC001724859269 1425240338 /nfs/dbraw/zinc/24/03/38/1425240338.db2.gz BMNOMQHAXNLJGM-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1C ZINC001724859269 1425240343 /nfs/dbraw/zinc/24/03/43/1425240343.db2.gz BMNOMQHAXNLJGM-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CC(C)C[NH+]1CCC(CCCCCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001724893515 1425282610 /nfs/dbraw/zinc/28/26/10/1425282610.db2.gz WGMJYOKCEGLDEY-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001725010537 1425423301 /nfs/dbraw/zinc/42/33/01/1425423301.db2.gz JHTCNRNLCPGONE-DLBZAZTESA-N 2 1 345.531 3.061 20 0 EGADMP C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1CCCC1CCCC1 ZINC001725634113 1426303747 /nfs/dbraw/zinc/30/37/47/1426303747.db2.gz RMARKWKYHURNSH-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CCc1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)CCC[NH+](C)C)c1 ZINC001731539412 1427542404 /nfs/dbraw/zinc/54/24/04/1427542404.db2.gz RQEIBBXERDGDGN-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCCC[N@H+]2CCCC2CCCC2)CC1 ZINC001731539953 1427543882 /nfs/dbraw/zinc/54/38/82/1427543882.db2.gz XTFWQRWDBDPMTB-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001731711855 1427771266 /nfs/dbraw/zinc/77/12/66/1427771266.db2.gz DLLHZCGIVDCIEU-LJQANCHMSA-N 2 1 345.531 3.068 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001731721593 1427791853 /nfs/dbraw/zinc/79/18/53/1427791853.db2.gz VIYCDFGXKAKTSA-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001731721593 1427791855 /nfs/dbraw/zinc/79/18/55/1427791855.db2.gz VIYCDFGXKAKTSA-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001731721593 1427791859 /nfs/dbraw/zinc/79/18/59/1427791859.db2.gz VIYCDFGXKAKTSA-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H](C)c1cccc(C)c1 ZINC001731868322 1428119633 /nfs/dbraw/zinc/11/96/33/1428119633.db2.gz GFRHPBVDDXGTAM-GOSISDBHSA-N 2 1 345.531 3.226 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+](CCNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001731876308 1428139796 /nfs/dbraw/zinc/13/97/96/1428139796.db2.gz HZVMSPRJGPYBCE-KRWDZBQOSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001731876308 1428139799 /nfs/dbraw/zinc/13/97/99/1428139799.db2.gz HZVMSPRJGPYBCE-KRWDZBQOSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)c1 ZINC001733711054 1429927680 /nfs/dbraw/zinc/92/76/80/1429927680.db2.gz JZDJJWKUGPAAFD-UYAOXDASSA-N 2 1 345.531 3.367 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCC[NH+]2C)c1 ZINC001733773502 1430012365 /nfs/dbraw/zinc/01/23/65/1430012365.db2.gz IXMHCDITCMDKBY-AZUAARDMSA-N 2 1 345.531 3.321 20 0 EGADMP Cc1cccc([C@H](C)[NH+](C)CCCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001733773502 1430012371 /nfs/dbraw/zinc/01/23/71/1430012371.db2.gz IXMHCDITCMDKBY-AZUAARDMSA-N 2 1 345.531 3.321 20 0 EGADMP Cc1cccc([C@H](C)[NH+](C)CCCN(C)C(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC001733773502 1430012376 /nfs/dbraw/zinc/01/23/76/1430012376.db2.gz IXMHCDITCMDKBY-AZUAARDMSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC001734012993 1437804140 /nfs/dbraw/zinc/80/41/40/1437804140.db2.gz GMJISXQPPOJZIL-UHFFFAOYSA-N 2 1 349.494 3.027 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001734125579 1437904521 /nfs/dbraw/zinc/90/45/21/1437904521.db2.gz DXNMFJPZMUNSOQ-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001734272803 1438004306 /nfs/dbraw/zinc/00/43/06/1438004306.db2.gz XWWUTWATUPQCMQ-FQEVSTJZSA-N 2 1 345.531 3.402 20 0 EGADMP CCCC[NH+](C)C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001734272803 1438004325 /nfs/dbraw/zinc/00/43/25/1438004325.db2.gz XWWUTWATUPQCMQ-FQEVSTJZSA-N 2 1 345.531 3.402 20 0 EGADMP CCCC[NH+](C)C1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001734272803 1438004329 /nfs/dbraw/zinc/00/43/29/1438004329.db2.gz XWWUTWATUPQCMQ-FQEVSTJZSA-N 2 1 345.531 3.402 20 0 EGADMP CC(C)[C@@H](C(=O)NCC1=CC[N@@H+](CC2CCC(C)CC2)CC1)[NH+](C)C ZINC001734628093 1438191767 /nfs/dbraw/zinc/19/17/67/1438191767.db2.gz DQIXKDIYGHHTGJ-UUKMXZOPSA-N 2 1 349.563 3.147 20 0 EGADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CCCC(C)(C)C ZINC001752077395 1440138705 /nfs/dbraw/zinc/13/87/05/1440138705.db2.gz XELDKDBESOQKNG-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)CCCC(C)(C)C ZINC001752077395 1440138706 /nfs/dbraw/zinc/13/87/06/1440138706.db2.gz XELDKDBESOQKNG-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)CCCC(C)(C)C ZINC001752077395 1440138707 /nfs/dbraw/zinc/13/87/07/1440138707.db2.gz XELDKDBESOQKNG-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)CCC2=CCCCC2)C1 ZINC001752527234 1440193171 /nfs/dbraw/zinc/19/31/71/1440193171.db2.gz JTEHRIIEWFZBSY-HXUWFJFHSA-N 2 1 349.563 3.389 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)CCC2=CCCCC2)C1 ZINC001752527234 1440193172 /nfs/dbraw/zinc/19/31/72/1440193172.db2.gz JTEHRIIEWFZBSY-HXUWFJFHSA-N 2 1 349.563 3.389 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H](C[N@@H+](C)CCC2=CCCCC2)C1 ZINC001752527234 1440193173 /nfs/dbraw/zinc/19/31/73/1440193173.db2.gz JTEHRIIEWFZBSY-HXUWFJFHSA-N 2 1 349.563 3.389 20 0 EGADMP CC(C)[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752706773 1440202897 /nfs/dbraw/zinc/20/28/97/1440202897.db2.gz RFWQFRHEOVDGDD-ICSRJNTNSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001752706773 1440202898 /nfs/dbraw/zinc/20/28/98/1440202898.db2.gz RFWQFRHEOVDGDD-ICSRJNTNSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001752706773 1440202899 /nfs/dbraw/zinc/20/28/99/1440202899.db2.gz RFWQFRHEOVDGDD-ICSRJNTNSA-N 2 1 349.563 3.362 20 0 EGADMP CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001752822920 1440221691 /nfs/dbraw/zinc/22/16/91/1440221691.db2.gz QPNLNUKRUFQVGZ-RBUKOAKNSA-N 2 1 337.552 3.412 20 0 EGADMP CC(C)CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001752850754 1440233506 /nfs/dbraw/zinc/23/35/06/1440233506.db2.gz LODJPASUOFCRNE-AFMYVXGZSA-N 2 1 349.563 3.457 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001752880832 1440238843 /nfs/dbraw/zinc/23/88/43/1440238843.db2.gz ZHUCZJPFHIRHNF-APWZRJJASA-N 2 1 347.547 3.068 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001752990602 1440259471 /nfs/dbraw/zinc/25/94/71/1440259471.db2.gz HPNKDHLXSULNMH-YXPHPVBUSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001752990602 1440259472 /nfs/dbraw/zinc/25/94/72/1440259472.db2.gz HPNKDHLXSULNMH-YXPHPVBUSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001752990602 1440259473 /nfs/dbraw/zinc/25/94/73/1440259473.db2.gz HPNKDHLXSULNMH-YXPHPVBUSA-N 2 1 349.563 3.386 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001752996884 1440262402 /nfs/dbraw/zinc/26/24/02/1440262402.db2.gz QHJKKDGGAGVUPU-MJGOQNOKSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001753007292 1440266206 /nfs/dbraw/zinc/26/62/06/1440266206.db2.gz IVBWJQIBEGIWCC-QUCCMNQESA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001753038693 1440275563 /nfs/dbraw/zinc/27/55/63/1440275563.db2.gz WMOLJFCPVXADGU-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)[C@@H](C)c1cc(C)ccc1C ZINC001753083643 1440295246 /nfs/dbraw/zinc/29/52/46/1440295246.db2.gz MHJKAXCGIKFGAQ-SFHVURJKSA-N 2 1 345.531 3.287 20 0 EGADMP CC[NH+](CCNC(=O)C[N@H+](C)C1CCC1)[C@@H](C)c1cc(C)ccc1C ZINC001753083643 1440295247 /nfs/dbraw/zinc/29/52/47/1440295247.db2.gz MHJKAXCGIKFGAQ-SFHVURJKSA-N 2 1 345.531 3.287 20 0 EGADMP CC[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)[C@@H](C)c1cc(C)ccc1C ZINC001753083643 1440295248 /nfs/dbraw/zinc/29/52/48/1440295248.db2.gz MHJKAXCGIKFGAQ-SFHVURJKSA-N 2 1 345.531 3.287 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001753105896 1440306273 /nfs/dbraw/zinc/30/62/73/1440306273.db2.gz JUDGSKNDFJXVPH-MOPGFXCFSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001753105897 1440306324 /nfs/dbraw/zinc/30/63/24/1440306324.db2.gz JUDGSKNDFJXVPH-OALUTQOASA-N 2 1 343.515 3.203 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1CCC[NH+]1CC=C(C)C)c1ccccc1 ZINC001753116573 1440311577 /nfs/dbraw/zinc/31/15/77/1440311577.db2.gz NGWKMQOXYRUMFV-WOJBJXKFSA-N 2 1 343.515 3.226 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H]1CCC[NH+]1CC=C(C)C)c1ccccc1 ZINC001753116573 1440311578 /nfs/dbraw/zinc/31/15/78/1440311578.db2.gz NGWKMQOXYRUMFV-WOJBJXKFSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC=C(C)C)c1ccccc1 ZINC001753116573 1440311579 /nfs/dbraw/zinc/31/15/79/1440311579.db2.gz NGWKMQOXYRUMFV-WOJBJXKFSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC=C(C)C)c1ccccc1 ZINC001753116573 1440311580 /nfs/dbraw/zinc/31/15/80/1440311580.db2.gz NGWKMQOXYRUMFV-WOJBJXKFSA-N 2 1 343.515 3.226 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001753136351 1440318940 /nfs/dbraw/zinc/31/89/40/1440318940.db2.gz UIIQCILDLAYVJF-UXHICEINSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1ccc(C)cc1 ZINC001753143142 1440322634 /nfs/dbraw/zinc/32/26/34/1440322634.db2.gz KWMQDHDQVKTOGP-FQEVSTJZSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)Cc1ccc(C)cc1 ZINC001753143142 1440322635 /nfs/dbraw/zinc/32/26/35/1440322635.db2.gz KWMQDHDQVKTOGP-FQEVSTJZSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)Cc1ccc(C)cc1 ZINC001753143142 1440322636 /nfs/dbraw/zinc/32/26/36/1440322636.db2.gz KWMQDHDQVKTOGP-FQEVSTJZSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001753254776 1440343460 /nfs/dbraw/zinc/34/34/60/1440343460.db2.gz NDDRPMKWZQTGGT-KRWDZBQOSA-N 2 1 347.547 3.435 20 0 EGADMP C[C@@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001753274978 1440346007 /nfs/dbraw/zinc/34/60/07/1440346007.db2.gz UTMOLZLDSFPQHP-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001753281321 1440347638 /nfs/dbraw/zinc/34/76/38/1440347638.db2.gz XZYRAINSLWLFRG-MGBKSAOESA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CCC(C)(C)C ZINC001753290534 1440350073 /nfs/dbraw/zinc/35/00/73/1440350073.db2.gz BDQOUDDYAUMFOQ-ROUUACIJSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CCC(C)(C)C ZINC001753290534 1440350074 /nfs/dbraw/zinc/35/00/74/1440350074.db2.gz BDQOUDDYAUMFOQ-ROUUACIJSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CCC(C)(C)C ZINC001753290534 1440350075 /nfs/dbraw/zinc/35/00/75/1440350075.db2.gz BDQOUDDYAUMFOQ-ROUUACIJSA-N 2 1 339.568 3.370 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC001753297757 1440352917 /nfs/dbraw/zinc/35/29/17/1440352917.db2.gz RESWZNLNUUZQLD-PMACEKPBSA-N 2 1 343.515 3.108 20 0 EGADMP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001753314524 1440358537 /nfs/dbraw/zinc/35/85/37/1440358537.db2.gz HGZQORDUZAYSBI-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001753314524 1440358538 /nfs/dbraw/zinc/35/85/38/1440358538.db2.gz HGZQORDUZAYSBI-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001753314524 1440358539 /nfs/dbraw/zinc/35/85/39/1440358539.db2.gz HGZQORDUZAYSBI-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001753319419 1440362198 /nfs/dbraw/zinc/36/21/98/1440362198.db2.gz DSHJKZWHWJXRAU-LJQANCHMSA-N 2 1 335.536 3.142 20 0 EGADMP CCCN(C(=O)CC[N@H+](C)CC)[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001753319419 1440362199 /nfs/dbraw/zinc/36/21/99/1440362199.db2.gz DSHJKZWHWJXRAU-LJQANCHMSA-N 2 1 335.536 3.142 20 0 EGADMP CCCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001753319419 1440362200 /nfs/dbraw/zinc/36/22/00/1440362200.db2.gz DSHJKZWHWJXRAU-LJQANCHMSA-N 2 1 335.536 3.142 20 0 EGADMP CCCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001753319368 1440362267 /nfs/dbraw/zinc/36/22/67/1440362267.db2.gz DJEBTEQECFPIND-MOPGFXCFSA-N 2 1 337.552 3.364 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001753351507 1440378188 /nfs/dbraw/zinc/37/81/88/1440378188.db2.gz FDSULUHPTKDTKK-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001753351507 1440378189 /nfs/dbraw/zinc/37/81/89/1440378189.db2.gz FDSULUHPTKDTKK-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001753351507 1440378190 /nfs/dbraw/zinc/37/81/90/1440378190.db2.gz FDSULUHPTKDTKK-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H](c1ccccc1F)[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001753366069 1440385285 /nfs/dbraw/zinc/38/52/85/1440385285.db2.gz OUFPXNMCGQAKKP-MRXNPFEDSA-N 2 1 349.494 3.009 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001753448662 1440405040 /nfs/dbraw/zinc/40/50/40/1440405040.db2.gz YWJBCIBUKGSRAM-RBUKOAKNSA-N 2 1 345.531 3.321 20 0 EGADMP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001753461092 1440410720 /nfs/dbraw/zinc/41/07/20/1440410720.db2.gz DDRPWVCCOMMTCG-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CCN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001753461092 1440410721 /nfs/dbraw/zinc/41/07/21/1440410721.db2.gz DDRPWVCCOMMTCG-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001753461092 1440410722 /nfs/dbraw/zinc/41/07/22/1440410722.db2.gz DDRPWVCCOMMTCG-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC(C)(C)C)CC1 ZINC001753585007 1440441096 /nfs/dbraw/zinc/44/10/96/1440441096.db2.gz QJWUIICMFIXPAK-QAQDUYKDSA-N 2 1 348.535 3.460 20 0 EGADMP CCCCC[N@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001753604170 1440447737 /nfs/dbraw/zinc/44/77/37/1440447737.db2.gz CDQNHXVDANTOMQ-UHFFFAOYSA-N 2 1 349.563 3.367 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCC1 ZINC001753664751 1440459842 /nfs/dbraw/zinc/45/98/42/1440459842.db2.gz BBDVKLRDNGZYNY-QZTJIDSGSA-N 2 1 337.552 3.172 20 0 EGADMP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC001753668008 1440460949 /nfs/dbraw/zinc/46/09/49/1440460949.db2.gz RBZWDYWUXNTLKD-FNYRVFDFSA-N 2 1 349.563 3.482 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001753690119 1440466437 /nfs/dbraw/zinc/46/64/37/1440466437.db2.gz SVEVOKCKORMSSA-HKUYNNGSSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001753740723 1440479126 /nfs/dbraw/zinc/47/91/26/1440479126.db2.gz ZYYASLMLCNORIF-OALUTQOASA-N 2 1 337.552 3.336 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CCCCC1 ZINC001753744696 1440480511 /nfs/dbraw/zinc/48/05/11/1440480511.db2.gz MOSVWMFNKTUPAA-PMACEKPBSA-N 2 1 347.547 3.236 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cccc(C)c1)C(C)C ZINC001753831668 1440499877 /nfs/dbraw/zinc/49/98/77/1440499877.db2.gz YJNZIJOZWXPWMZ-PMACEKPBSA-N 2 1 345.531 3.100 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1cccc(C)c1 ZINC001753854196 1440508086 /nfs/dbraw/zinc/50/80/86/1440508086.db2.gz AJRUQJWPHKNJKY-UYAOXDASSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)[C@H](C)c1cccc(C)c1 ZINC001753854196 1440508087 /nfs/dbraw/zinc/50/80/87/1440508087.db2.gz AJRUQJWPHKNJKY-UYAOXDASSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC001753854196 1440508088 /nfs/dbraw/zinc/50/80/88/1440508088.db2.gz AJRUQJWPHKNJKY-UYAOXDASSA-N 2 1 345.531 3.321 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001753860888 1440511295 /nfs/dbraw/zinc/51/12/95/1440511295.db2.gz NEPJLEPTBOKPFE-JZXOWHBKSA-N 2 1 349.494 3.007 20 0 EGADMP C[C@H](c1cccc(F)c1)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753860888 1440511296 /nfs/dbraw/zinc/51/12/96/1440511296.db2.gz NEPJLEPTBOKPFE-JZXOWHBKSA-N 2 1 349.494 3.007 20 0 EGADMP C[C@H](c1cccc(F)c1)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001753860888 1440511297 /nfs/dbraw/zinc/51/12/97/1440511297.db2.gz NEPJLEPTBOKPFE-JZXOWHBKSA-N 2 1 349.494 3.007 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CC2CCCCCC2)C1 ZINC001753878096 1440519875 /nfs/dbraw/zinc/51/98/75/1440519875.db2.gz NNSTYNVILJLMHR-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC2CCCCCC2)C1 ZINC001753878096 1440519876 /nfs/dbraw/zinc/51/98/76/1440519876.db2.gz NNSTYNVILJLMHR-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC2CCCCCC2)C1 ZINC001753878096 1440519877 /nfs/dbraw/zinc/51/98/77/1440519877.db2.gz NNSTYNVILJLMHR-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001753992311 1440529220 /nfs/dbraw/zinc/52/92/20/1440529220.db2.gz DYMDBJVFSQCZKB-HKUYNNGSSA-N 2 1 349.563 3.173 20 0 EGADMP CCN(CC[NH2+]CCC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001754049001 1440535469 /nfs/dbraw/zinc/53/54/69/1440535469.db2.gz DQRHHYOPHBJQMO-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCC(C)CC1 ZINC001754139860 1440544334 /nfs/dbraw/zinc/54/43/34/1440544334.db2.gz JHUOIXUDYRQOIK-PSTGNYPNSA-N 2 1 349.563 3.195 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC001754255167 1440559016 /nfs/dbraw/zinc/55/90/16/1440559016.db2.gz DVQPPXADAYBVIW-IAGOWNOFSA-N 2 1 341.499 3.335 20 0 EGADMP C[C@@H](C[N@@H+](C)CC1=CCCCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754312026 1440573576 /nfs/dbraw/zinc/57/35/76/1440573576.db2.gz VMVCPDWNYLRMHV-KRWDZBQOSA-N 2 1 335.536 3.188 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001754326292 1440580632 /nfs/dbraw/zinc/58/06/32/1440580632.db2.gz HAKQHUHMSOOVEI-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001754350821 1440590822 /nfs/dbraw/zinc/59/08/22/1440590822.db2.gz FZKLYHGBYGNYPH-MSOLQXFVSA-N 2 1 337.552 3.027 20 0 EGADMP CN(CCC[NH2+]CCCC(C)(C)C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001754380600 1440593379 /nfs/dbraw/zinc/59/33/79/1440593379.db2.gz XUEWZPHFOKVSCJ-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)[C@H](CC)C1 ZINC001754466132 1440604326 /nfs/dbraw/zinc/60/43/26/1440604326.db2.gz AZWAMCDAHQADBP-UXHICEINSA-N 2 1 349.563 3.435 20 0 EGADMP C[C@H](C(=O)NC[C@H]1CC[N@H+]1CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001754496040 1440612264 /nfs/dbraw/zinc/61/22/64/1440612264.db2.gz SFFHXOZPEBEZIO-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001754505074 1440616085 /nfs/dbraw/zinc/61/60/85/1440616085.db2.gz PZMCRPGUSMCDKQ-UYAOXDASSA-N 2 1 343.515 3.204 20 0 EGADMP C[N@H+](CC(=O)NC[C@@H]1CC[NH+]1CCCC(C)(C)C)Cc1ccccc1 ZINC001754505991 1440616473 /nfs/dbraw/zinc/61/64/73/1440616473.db2.gz ZHNCTUVSYVVNTE-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+]1CCCC(C)(C)C)Cc1ccccc1 ZINC001754505991 1440616474 /nfs/dbraw/zinc/61/64/74/1440616474.db2.gz ZHNCTUVSYVVNTE-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+]1CCCC(C)(C)C)Cc1ccccc1 ZINC001754505991 1440616475 /nfs/dbraw/zinc/61/64/75/1440616475.db2.gz ZHNCTUVSYVVNTE-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CC[N@H+]1CCCC(C)(C)C)Cc1ccccc1 ZINC001754505991 1440616476 /nfs/dbraw/zinc/61/64/76/1440616476.db2.gz ZHNCTUVSYVVNTE-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001754554381 1440630834 /nfs/dbraw/zinc/63/08/34/1440630834.db2.gz GUDYOTOTWNIQBD-BGYRXZFFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001754554381 1440630835 /nfs/dbraw/zinc/63/08/35/1440630835.db2.gz GUDYOTOTWNIQBD-BGYRXZFFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001754554381 1440630836 /nfs/dbraw/zinc/63/08/36/1440630836.db2.gz GUDYOTOTWNIQBD-BGYRXZFFSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC=C(C)C)C2)[NH+](CC)CC ZINC001754557219 1440632063 /nfs/dbraw/zinc/63/20/63/1440632063.db2.gz NIQILPUOHSVGDW-FPOVZHCZSA-N 2 1 349.563 3.388 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC2(C1)CC[NH+](CCCC1CCC1)CC2 ZINC001754561548 1440633817 /nfs/dbraw/zinc/63/38/17/1440633817.db2.gz XHCFYCQBWDRFLT-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC001754598184 1440641849 /nfs/dbraw/zinc/64/18/49/1440641849.db2.gz RPHQUYKUYOTKPN-ROUUACIJSA-N 2 1 337.552 3.410 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001754661506 1440655074 /nfs/dbraw/zinc/65/50/74/1440655074.db2.gz GLVPKGTYUVTLGQ-QEVIJRNUSA-N 2 1 349.563 3.389 20 0 EGADMP CCCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001754670257 1440657917 /nfs/dbraw/zinc/65/79/17/1440657917.db2.gz MFQOWIMDSFBDCZ-WIYYLYMNSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001754670257 1440657918 /nfs/dbraw/zinc/65/79/18/1440657918.db2.gz MFQOWIMDSFBDCZ-WIYYLYMNSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001754670257 1440657919 /nfs/dbraw/zinc/65/79/19/1440657919.db2.gz MFQOWIMDSFBDCZ-WIYYLYMNSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001754727473 1440677023 /nfs/dbraw/zinc/67/70/23/1440677023.db2.gz MLBIJFOIVJIYNF-GHTZIAJQSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001754727473 1440677024 /nfs/dbraw/zinc/67/70/24/1440677024.db2.gz MLBIJFOIVJIYNF-GHTZIAJQSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001754727473 1440677025 /nfs/dbraw/zinc/67/70/25/1440677025.db2.gz MLBIJFOIVJIYNF-GHTZIAJQSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001754734489 1440681448 /nfs/dbraw/zinc/68/14/48/1440681448.db2.gz WOQXMKQRYBCUQQ-HXUWFJFHSA-N 2 1 337.552 3.127 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC1CCCC1)C2 ZINC001754783078 1440686911 /nfs/dbraw/zinc/68/69/11/1440686911.db2.gz LBLHYZOVHCDMJE-UFYCRDLUSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)[NH+]1CCCCC1 ZINC001754830252 1440694747 /nfs/dbraw/zinc/69/47/47/1440694747.db2.gz JXSDUROTJQAFTQ-REPLKXPHSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCCC(C)C)CC[N@H+]1C ZINC001754864224 1440702270 /nfs/dbraw/zinc/70/22/70/1440702270.db2.gz AFURHDZLOWTFMA-MTQWCTHYSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCCC(C)C)CC[NH+]1C ZINC001754864224 1440702271 /nfs/dbraw/zinc/70/22/71/1440702271.db2.gz AFURHDZLOWTFMA-MTQWCTHYSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCCC(C)C)CC[NH+]1C ZINC001754864224 1440702272 /nfs/dbraw/zinc/70/22/72/1440702272.db2.gz AFURHDZLOWTFMA-MTQWCTHYSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]([NH2+]CCC1CC1)c1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001754948832 1440714238 /nfs/dbraw/zinc/71/42/38/1440714238.db2.gz QCWMCBLAMIXQPS-IRXDYDNUSA-N 2 1 343.515 3.095 20 0 EGADMP CC(C)c1ccccc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001754978648 1440720742 /nfs/dbraw/zinc/72/07/42/1440720742.db2.gz NHAHIZBNQDZQRV-IBGZPJMESA-N 2 1 343.515 3.033 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001755034914 1440733572 /nfs/dbraw/zinc/73/35/72/1440733572.db2.gz BRHMFFHSEXNYSG-MOPGFXCFSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001755034914 1440733573 /nfs/dbraw/zinc/73/35/73/1440733573.db2.gz BRHMFFHSEXNYSG-MOPGFXCFSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001755034914 1440733574 /nfs/dbraw/zinc/73/35/74/1440733574.db2.gz BRHMFFHSEXNYSG-MOPGFXCFSA-N 2 1 349.494 3.151 20 0 EGADMP CN(CCC[N@@H+](C)CCCC1CCCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001755036410 1440734788 /nfs/dbraw/zinc/73/47/88/1440734788.db2.gz DEOWLTVJGOHEFA-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(CC)([NH2+]CC2CC(C)C2)CC1 ZINC001755068673 1440745783 /nfs/dbraw/zinc/74/57/83/1440745783.db2.gz BXDMOIQQMKWYPC-CTWPCTMYSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001755129040 1440756694 /nfs/dbraw/zinc/75/66/94/1440756694.db2.gz AIPFLRGTZLSMNE-DKFQHHCZSA-N 2 1 335.536 3.188 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001755142570 1440761280 /nfs/dbraw/zinc/76/12/80/1440761280.db2.gz BOUXPXPIYNWXOI-HPFMTEOYSA-N 2 1 335.536 3.045 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1c2ccccc2CC[NH+]1CC=C(C)C ZINC001755171145 1440768921 /nfs/dbraw/zinc/76/89/21/1440768921.db2.gz LLCGAIWGTFWCKD-FQEVSTJZSA-N 2 1 343.515 3.010 20 0 EGADMP Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CCC[NH+](C)C)cc1C ZINC001755197844 1440777811 /nfs/dbraw/zinc/77/78/11/1440777811.db2.gz OIALWRXDIOJWTA-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC001755204592 1440781822 /nfs/dbraw/zinc/78/18/22/1440781822.db2.gz LRPOBZWDTYZWFC-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001755275947 1440799066 /nfs/dbraw/zinc/79/90/66/1440799066.db2.gz MOGRJFHYCHLKKQ-LMDPOFIKSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1cccc(C)c1C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001755300484 1440808313 /nfs/dbraw/zinc/80/83/13/1440808313.db2.gz QMYWCKWEPQZMHN-ICSRJNTNSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cccc(C)c1C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001755300484 1440808314 /nfs/dbraw/zinc/80/83/14/1440808314.db2.gz QMYWCKWEPQZMHN-ICSRJNTNSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001755300484 1440808315 /nfs/dbraw/zinc/80/83/15/1440808315.db2.gz QMYWCKWEPQZMHN-ICSRJNTNSA-N 2 1 345.531 3.113 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[N@H+](C)CCC1CCCC1 ZINC001755320515 1440818338 /nfs/dbraw/zinc/81/83/38/1440818338.db2.gz RYOQKPPRRDBGNM-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[N@@H+](C)CCC1CCCC1 ZINC001755320515 1440818339 /nfs/dbraw/zinc/81/83/39/1440818339.db2.gz RYOQKPPRRDBGNM-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[N@@H+](C)CC1=CCCCC1 ZINC001755327507 1440822675 /nfs/dbraw/zinc/82/26/75/1440822675.db2.gz IRSNUIMPCJYIEF-SFHVURJKSA-N 2 1 335.536 3.189 20 0 EGADMP Cc1cc(C[NH2+]CC2(NC(=O)[C@@H]3CCC[N@@H+]3C)CCCCC2)cs1 ZINC001755350094 1440827550 /nfs/dbraw/zinc/82/75/50/1440827550.db2.gz ZIBUJNSLVKAXQY-KRWDZBQOSA-N 2 1 349.544 3.059 20 0 EGADMP C[N@@H+](CC(=O)NC1(C[NH2+]CCC2CC2)CCCCC1)CC(C)(C)C ZINC001755354391 1440828844 /nfs/dbraw/zinc/82/88/44/1440828844.db2.gz LBDSVDZBZOETDL-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CCCCC[NH+]1CC1CCCC1)C1CCC1 ZINC001755364561 1440833618 /nfs/dbraw/zinc/83/36/18/1440833618.db2.gz WOLOTRHQLQIPNM-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCCC1)C1CCC1 ZINC001755364561 1440833619 /nfs/dbraw/zinc/83/36/19/1440833619.db2.gz WOLOTRHQLQIPNM-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCCC[N@H+]1CC1CCCC1)C1CCC1 ZINC001755364561 1440833620 /nfs/dbraw/zinc/83/36/20/1440833620.db2.gz WOLOTRHQLQIPNM-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CCC/C=C/CC[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001755365621 1440834088 /nfs/dbraw/zinc/83/40/88/1440834088.db2.gz IHRSKLXFFHCBGH-UEKDZROGSA-N 2 1 346.519 3.299 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001755365621 1440834089 /nfs/dbraw/zinc/83/40/89/1440834089.db2.gz IHRSKLXFFHCBGH-UEKDZROGSA-N 2 1 346.519 3.299 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCCC1 ZINC001755368621 1440836515 /nfs/dbraw/zinc/83/65/15/1440836515.db2.gz UCOAACLVNBMMDG-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCCCC1 ZINC001755368621 1440836516 /nfs/dbraw/zinc/83/65/16/1440836516.db2.gz UCOAACLVNBMMDG-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCCCC1 ZINC001755368621 1440836517 /nfs/dbraw/zinc/83/65/17/1440836517.db2.gz UCOAACLVNBMMDG-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001755414973 1440848028 /nfs/dbraw/zinc/84/80/28/1440848028.db2.gz CNZDQYBRKXCXHT-VOFKWLDRSA-N 2 1 349.563 3.435 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001755416447 1440849104 /nfs/dbraw/zinc/84/91/04/1440849104.db2.gz UGBNLOTVSDOIPB-HKVOBHHDSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC001755416447 1440849105 /nfs/dbraw/zinc/84/91/05/1440849105.db2.gz UGBNLOTVSDOIPB-HKVOBHHDSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC001755416447 1440849106 /nfs/dbraw/zinc/84/91/06/1440849106.db2.gz UGBNLOTVSDOIPB-HKVOBHHDSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@@H](CCC[NH2+]Cc1ccccc1C1CC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001755490487 1440861484 /nfs/dbraw/zinc/86/14/84/1440861484.db2.gz RCYREOAKGLUXAH-JXFKEZNVSA-N 2 1 343.515 3.033 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CCC([N@@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001755535374 1440869047 /nfs/dbraw/zinc/86/90/47/1440869047.db2.gz HIMJOBWRAVPQJE-QRVBRYPASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001755571147 1440876909 /nfs/dbraw/zinc/87/69/09/1440876909.db2.gz OBXLHYKVTBRZHG-PMACEKPBSA-N 2 1 347.547 3.186 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C[C@@H]1C ZINC001755690413 1440896698 /nfs/dbraw/zinc/89/66/98/1440896698.db2.gz OBMSEPRKRGXUDQ-RBUKOAKNSA-N 2 1 345.531 3.033 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC2CCCCCC2)C[C@@H]1C ZINC001755690867 1440896742 /nfs/dbraw/zinc/89/67/42/1440896742.db2.gz ZALJHDBCOBUOLM-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1CC1CCCCCC1 ZINC001755722831 1440908296 /nfs/dbraw/zinc/90/82/96/1440908296.db2.gz OTILJTRUZMDWMX-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001755724493 1440908899 /nfs/dbraw/zinc/90/88/99/1440908899.db2.gz VXRRLKPDJQVLFY-WYNBNGFRSA-N 2 1 335.536 3.044 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000052210119 214122948 /nfs/dbraw/zinc/12/29/48/214122948.db2.gz OGTWMPKDSGZRNV-GOSISDBHSA-N 2 1 340.458 3.442 20 0 EGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000054241507 214226115 /nfs/dbraw/zinc/22/61/15/214226115.db2.gz AXQFBSJPAQKLSM-HIFRSBDPSA-N 2 1 325.294 3.312 20 0 EGADMP Cn1ncc(Cl)c1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000187158483 529999967 /nfs/dbraw/zinc/99/99/67/529999967.db2.gz CCPPWOUMNLXFPN-UHFFFAOYSA-N 2 1 346.906 3.418 20 0 EGADMP Cn1ncc(Cl)c1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000187158483 529999968 /nfs/dbraw/zinc/99/99/68/529999968.db2.gz CCPPWOUMNLXFPN-UHFFFAOYSA-N 2 1 346.906 3.418 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC000183732154 235210505 /nfs/dbraw/zinc/21/05/05/235210505.db2.gz LOVRPYKKLNFMOC-HNNXBMFYSA-N 2 1 329.492 3.399 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCOCC3)C2)C[C@@H]1c1ccccc1 ZINC000340307325 283141622 /nfs/dbraw/zinc/14/16/22/283141622.db2.gz VEZUMTFRPBBDQJ-XUVXKRRUSA-N 2 1 344.499 3.140 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCOCC3)C2)C[C@@H]1c1ccccc1 ZINC000340307325 283141623 /nfs/dbraw/zinc/14/16/23/283141623.db2.gz VEZUMTFRPBBDQJ-XUVXKRRUSA-N 2 1 344.499 3.140 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187126702 236126233 /nfs/dbraw/zinc/12/62/33/236126233.db2.gz HFBYPPOPKBVBNM-IAGOWNOFSA-N 2 1 343.515 3.053 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCS1 ZINC000131377645 223227229 /nfs/dbraw/zinc/22/72/29/223227229.db2.gz KSFPVKJRYKPXLA-MRXNPFEDSA-N 2 1 333.545 3.154 20 0 EGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000193881880 240345909 /nfs/dbraw/zinc/34/59/09/240345909.db2.gz IOCHGBAAAXUPCA-RRQGHBQHSA-N 2 1 327.428 3.173 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000247010878 243354576 /nfs/dbraw/zinc/35/45/76/243354576.db2.gz MEMZGDRSXYLRJE-MBOZVWFJSA-N 2 1 326.488 3.080 20 0 EGADMP CCCC[NH+]1CCC([NH2+]Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000079000098 217171519 /nfs/dbraw/zinc/17/15/19/217171519.db2.gz CWKSAPVYCZUARR-UHFFFAOYSA-N 2 1 336.476 3.067 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)COc2ccccc2)C1 ZINC000265085411 247188414 /nfs/dbraw/zinc/18/84/14/247188414.db2.gz SMHGVROTHWUYKZ-HSALFYBXSA-N 2 1 346.515 3.013 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)COc2ccccc2)C1 ZINC000265085411 247188416 /nfs/dbraw/zinc/18/84/16/247188416.db2.gz SMHGVROTHWUYKZ-HSALFYBXSA-N 2 1 346.515 3.013 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2)C1 ZINC000265085411 247188423 /nfs/dbraw/zinc/18/84/23/247188423.db2.gz SMHGVROTHWUYKZ-HSALFYBXSA-N 2 1 346.515 3.013 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2)C1 ZINC000265085411 247188428 /nfs/dbraw/zinc/18/84/28/247188428.db2.gz SMHGVROTHWUYKZ-HSALFYBXSA-N 2 1 346.515 3.013 20 0 EGADMP C[N@@H+](Cc1ccc2occc2c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377633593 169052297 /nfs/dbraw/zinc/05/22/97/169052297.db2.gz VOLGKPVQVXSECN-IBGZPJMESA-N 2 1 327.472 3.033 20 0 EGADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000378632932 169150210 /nfs/dbraw/zinc/15/02/10/169150210.db2.gz NKOVIQJGGPPAJC-GEALJGNFSA-N 2 1 334.479 3.330 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cn2ccccc2n1 ZINC000092821143 218172324 /nfs/dbraw/zinc/17/23/24/218172324.db2.gz GFFIVCMAORINLR-UHFFFAOYSA-N 2 1 349.482 3.468 20 0 EGADMP CCn1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000093006763 218184799 /nfs/dbraw/zinc/18/47/99/218184799.db2.gz AOVQVBRDMIVNIY-UHFFFAOYSA-N 2 1 326.488 3.247 20 0 EGADMP CCCCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000093133112 218197089 /nfs/dbraw/zinc/19/70/89/218197089.db2.gz RIMSHAJZYXUXBS-FQEVSTJZSA-N 2 1 345.531 3.077 20 0 EGADMP COCCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093564103 218232192 /nfs/dbraw/zinc/23/21/92/218232192.db2.gz BWFVCNSWOJQQDH-LJQANCHMSA-N 2 1 332.488 3.162 20 0 EGADMP COCCOc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093564103 218232194 /nfs/dbraw/zinc/23/21/94/218232194.db2.gz BWFVCNSWOJQQDH-LJQANCHMSA-N 2 1 332.488 3.162 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000093770650 218248240 /nfs/dbraw/zinc/24/82/40/218248240.db2.gz KEIGRHRGAQPSLI-QGZVFWFLSA-N 2 1 326.444 3.043 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000093770650 218248243 /nfs/dbraw/zinc/24/82/43/218248243.db2.gz KEIGRHRGAQPSLI-QGZVFWFLSA-N 2 1 326.444 3.043 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000093770650 218248245 /nfs/dbraw/zinc/24/82/45/218248245.db2.gz KEIGRHRGAQPSLI-QGZVFWFLSA-N 2 1 326.444 3.043 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000093770650 218248248 /nfs/dbraw/zinc/24/82/48/218248248.db2.gz KEIGRHRGAQPSLI-QGZVFWFLSA-N 2 1 326.444 3.043 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000268777888 252228055 /nfs/dbraw/zinc/22/80/55/252228055.db2.gz AXRVUQZTLOOAAU-UHFFFAOYSA-N 2 1 332.879 3.099 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268797056 252249701 /nfs/dbraw/zinc/24/97/01/252249701.db2.gz WYMKNNQMMVIJFA-JVPBZIDWSA-N 2 1 342.487 3.248 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268797056 252249704 /nfs/dbraw/zinc/24/97/04/252249704.db2.gz WYMKNNQMMVIJFA-JVPBZIDWSA-N 2 1 342.487 3.248 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000268872540 252320514 /nfs/dbraw/zinc/32/05/14/252320514.db2.gz GLRADIVYUHHAPK-KNXALSJPSA-N 2 1 331.287 3.347 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1)C(C)C ZINC000069321992 285096779 /nfs/dbraw/zinc/09/67/79/285096779.db2.gz IXTZXSWZRVDYAB-UHFFFAOYSA-N 2 1 331.504 3.083 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000108115056 285273967 /nfs/dbraw/zinc/27/39/67/285273967.db2.gz MQIZFJNWHJYANY-PKOBYXMFSA-N 2 1 344.499 3.259 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268902075 255491659 /nfs/dbraw/zinc/49/16/59/255491659.db2.gz WZOUFANJUFSWGV-HNNXBMFYSA-N 2 1 328.460 3.151 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000154868797 224318464 /nfs/dbraw/zinc/31/84/64/224318464.db2.gz XZOAIEYRNLBMKM-AWEZNQCLSA-N 2 1 338.517 3.179 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1F ZINC000180644774 258014836 /nfs/dbraw/zinc/01/48/36/258014836.db2.gz PHPVIVWZSIHPRO-QAPCUYQASA-N 2 1 328.431 3.243 20 0 EGADMP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC(F)F ZINC000153705434 533500895 /nfs/dbraw/zinc/50/08/95/533500895.db2.gz TTYPJQSYSLMEKZ-UMVBOHGHSA-N 2 1 342.430 3.157 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000347918590 141216955 /nfs/dbraw/zinc/21/69/55/141216955.db2.gz BEJHZESYNSAVQL-NSHDSACASA-N 2 1 343.397 3.308 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)[C@@H](C)[C@H]2C)cc1 ZINC000356832600 141350672 /nfs/dbraw/zinc/35/06/72/141350672.db2.gz ASBKAXLFPZRQOJ-DLBZAZTESA-N 2 1 331.504 3.083 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1 ZINC000356832600 141350673 /nfs/dbraw/zinc/35/06/73/141350673.db2.gz ASBKAXLFPZRQOJ-DLBZAZTESA-N 2 1 331.504 3.083 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1 ZINC000356832600 141350676 /nfs/dbraw/zinc/35/06/76/141350676.db2.gz ASBKAXLFPZRQOJ-DLBZAZTESA-N 2 1 331.504 3.083 20 0 EGADMP CCOCCC[N@H+]1CC[C@H](NC[C@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000359601405 141383240 /nfs/dbraw/zinc/38/32/40/141383240.db2.gz UZGVGHBYRPVBEI-HLAWJBBLSA-N 2 1 347.547 3.016 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)N(C)C)[C@H](C)C1 ZINC000359601405 141383242 /nfs/dbraw/zinc/38/32/42/141383242.db2.gz UZGVGHBYRPVBEI-HLAWJBBLSA-N 2 1 347.547 3.016 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)N(C)C)[C@H](C)C1 ZINC000359601405 141383246 /nfs/dbraw/zinc/38/32/46/141383246.db2.gz UZGVGHBYRPVBEI-HLAWJBBLSA-N 2 1 347.547 3.016 20 0 EGADMP CC(C)CCn1cccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000344795942 144226202 /nfs/dbraw/zinc/22/62/02/144226202.db2.gz PYLUEOSZPZFXRZ-UXHICEINSA-N 2 1 333.520 3.002 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000351847580 144315999 /nfs/dbraw/zinc/31/59/99/144315999.db2.gz ANJDENXNCQPZDI-QILLFSRXSA-N 2 1 349.494 3.088 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000351847580 144316000 /nfs/dbraw/zinc/31/60/00/144316000.db2.gz ANJDENXNCQPZDI-QILLFSRXSA-N 2 1 349.494 3.088 20 0 EGADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccsc3Cl)CC2)CC1 ZINC000361579149 144331761 /nfs/dbraw/zinc/33/17/61/144331761.db2.gz BETYLAMJWZMGBK-UHFFFAOYSA-N 2 1 341.952 3.251 20 0 EGADMP CO[C@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000374695290 286041779 /nfs/dbraw/zinc/04/17/79/286041779.db2.gz SGRCUXLREAWKEZ-OALUTQOASA-N 2 1 326.525 3.159 20 0 EGADMP CCc1nc(NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)cc(C)[nH+]1 ZINC000341390683 155263672 /nfs/dbraw/zinc/26/36/72/155263672.db2.gz VECSBBUAVLGPRS-SFHVURJKSA-N 2 1 340.471 3.027 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000341407059 155274748 /nfs/dbraw/zinc/27/47/48/155274748.db2.gz VDINVAMKCDQPMK-FXAWDEMLSA-N 2 1 343.515 3.203 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000341407062 155274905 /nfs/dbraw/zinc/27/49/05/155274905.db2.gz VDINVAMKCDQPMK-YLJYHZDGSA-N 2 1 343.515 3.203 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1OC ZINC000375892676 286315354 /nfs/dbraw/zinc/31/53/54/286315354.db2.gz ZMQUTTMSEBEGIB-JCGIZDLHSA-N 2 1 332.488 3.160 20 0 EGADMP COc1ccc([C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C(C)C)cc1 ZINC000091333592 286359011 /nfs/dbraw/zinc/35/90/11/286359011.db2.gz QRYUNMPVKAIKEF-FQEVSTJZSA-N 2 1 333.520 3.010 20 0 EGADMP COc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC(F)F ZINC000192798398 153260343 /nfs/dbraw/zinc/26/03/43/153260343.db2.gz LDVYRRDRBYPPPB-GOOCMWNKSA-N 2 1 340.414 3.054 20 0 EGADMP O=C(CC[NH+]1CCC([NH2+]CC2CC2)CC1)Nc1cccc(Cl)c1 ZINC000261728182 153714105 /nfs/dbraw/zinc/71/41/05/153714105.db2.gz MMVJTBMQCYNJCI-UHFFFAOYSA-N 2 1 335.879 3.133 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(CO)c1 ZINC000305676049 154101734 /nfs/dbraw/zinc/10/17/34/154101734.db2.gz ZWYRRZASWURRCA-RXVVDRJESA-N 2 1 338.495 3.394 20 0 EGADMP C[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000310088349 154139291 /nfs/dbraw/zinc/13/92/91/154139291.db2.gz PHIUMTMIAPRFNO-QHAWAJNXSA-N 2 1 327.516 3.115 20 0 EGADMP C[C@]1(CN[C@@H]2CC[NH+]3CCC[C@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000310088349 154139295 /nfs/dbraw/zinc/13/92/95/154139295.db2.gz PHIUMTMIAPRFNO-QHAWAJNXSA-N 2 1 327.516 3.115 20 0 EGADMP C[C@]1(CN[C@@H]2CC[NH+]3CCC[C@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310088349 154139297 /nfs/dbraw/zinc/13/92/97/154139297.db2.gz PHIUMTMIAPRFNO-QHAWAJNXSA-N 2 1 327.516 3.115 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000310088349 154139300 /nfs/dbraw/zinc/13/93/00/154139300.db2.gz PHIUMTMIAPRFNO-QHAWAJNXSA-N 3 1 327.516 3.115 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000310088349 154139303 /nfs/dbraw/zinc/13/93/03/154139303.db2.gz PHIUMTMIAPRFNO-QHAWAJNXSA-N 3 1 327.516 3.115 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000310088349 154139305 /nfs/dbraw/zinc/13/93/05/154139305.db2.gz PHIUMTMIAPRFNO-QHAWAJNXSA-N 3 1 327.516 3.115 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310088349 154139308 /nfs/dbraw/zinc/13/93/08/154139308.db2.gz PHIUMTMIAPRFNO-QHAWAJNXSA-N 3 1 327.516 3.115 20 0 EGADMP OCc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000310955928 154145157 /nfs/dbraw/zinc/14/51/57/154145157.db2.gz ZRTUBRKAESPOKJ-FGZHOGPDSA-N 2 1 336.479 3.133 20 0 EGADMP OCc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000310955928 154145160 /nfs/dbraw/zinc/14/51/60/154145160.db2.gz ZRTUBRKAESPOKJ-FGZHOGPDSA-N 2 1 336.479 3.133 20 0 EGADMP OCc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000310955928 154145161 /nfs/dbraw/zinc/14/51/61/154145161.db2.gz ZRTUBRKAESPOKJ-FGZHOGPDSA-N 2 1 336.479 3.133 20 0 EGADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000337328431 154287594 /nfs/dbraw/zinc/28/75/94/154287594.db2.gz DYUSKKIVXNVTBY-SCOADAFUSA-N 2 1 342.405 3.155 20 0 EGADMP Cc1ccc(-n2ccnc2)c(C(=O)NC[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000337349381 154299343 /nfs/dbraw/zinc/29/93/43/154299343.db2.gz PLKISJDCXWUJJN-KRWDZBQOSA-N 2 1 340.471 3.031 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000337383567 154324321 /nfs/dbraw/zinc/32/43/21/154324321.db2.gz KAIHGIXQFZQITH-CGTJXYLNSA-N 2 1 332.488 3.160 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000347003934 156239637 /nfs/dbraw/zinc/23/96/37/156239637.db2.gz ADNOFTRYDIUPCV-IAGOWNOFSA-N 2 1 325.456 3.220 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000347002722 156241417 /nfs/dbraw/zinc/24/14/17/156241417.db2.gz JPFRFJJISAJDGN-INIZCTEOSA-N 2 1 330.451 3.060 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000347002722 156241422 /nfs/dbraw/zinc/24/14/22/156241422.db2.gz JPFRFJJISAJDGN-INIZCTEOSA-N 2 1 330.451 3.060 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000365406669 157115844 /nfs/dbraw/zinc/11/58/44/157115844.db2.gz XEBQFJXNKZHKIU-AWEZNQCLSA-N 2 1 341.858 3.224 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000365629843 157195692 /nfs/dbraw/zinc/19/56/92/157195692.db2.gz NUNFGGWWWJWHJZ-MRXNPFEDSA-N 2 1 340.471 3.362 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000365629843 157195694 /nfs/dbraw/zinc/19/56/94/157195694.db2.gz NUNFGGWWWJWHJZ-MRXNPFEDSA-N 2 1 340.471 3.362 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H]3CCC[N@@H+](C(C)C)C3)c(C)n2n1 ZINC000093405350 162007608 /nfs/dbraw/zinc/00/76/08/162007608.db2.gz BNKUTTWQZGZOEC-WBVHZDCISA-N 2 1 329.492 3.117 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H]3CCC[N@H+](C(C)C)C3)c(C)n2n1 ZINC000093405350 162007610 /nfs/dbraw/zinc/00/76/10/162007610.db2.gz BNKUTTWQZGZOEC-WBVHZDCISA-N 2 1 329.492 3.117 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000093753115 162026771 /nfs/dbraw/zinc/02/67/71/162026771.db2.gz HOWFJTRSIJSVTI-MRXNPFEDSA-N 2 1 342.487 3.249 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000093753115 162026775 /nfs/dbraw/zinc/02/67/75/162026775.db2.gz HOWFJTRSIJSVTI-MRXNPFEDSA-N 2 1 342.487 3.249 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000093753115 162026779 /nfs/dbraw/zinc/02/67/79/162026779.db2.gz HOWFJTRSIJSVTI-MRXNPFEDSA-N 2 1 342.487 3.249 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000093753115 162026783 /nfs/dbraw/zinc/02/67/83/162026783.db2.gz HOWFJTRSIJSVTI-MRXNPFEDSA-N 2 1 342.487 3.249 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(CC(C)C)cc3)C2)CC1 ZINC000107371371 162065536 /nfs/dbraw/zinc/06/55/36/162065536.db2.gz AWPWHPCOEDSQLO-OAQYLSRUSA-N 2 1 329.532 3.097 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH+]1CCCCCC1)c1ccccc1 ZINC000110919236 162137481 /nfs/dbraw/zinc/13/74/81/162137481.db2.gz RSLLRUJQAASJMS-IBGZPJMESA-N 2 1 331.504 3.062 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)ccc(O)c2n1 ZINC000338317261 163211729 /nfs/dbraw/zinc/21/17/29/163211729.db2.gz PRWDTSWDKCDHTL-QGZVFWFLSA-N 2 1 339.483 3.413 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)ccc(O)c2n1 ZINC000338317261 163211731 /nfs/dbraw/zinc/21/17/31/163211731.db2.gz PRWDTSWDKCDHTL-QGZVFWFLSA-N 2 1 339.483 3.413 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)ccc(O)c2n1 ZINC000338317261 163211735 /nfs/dbraw/zinc/21/17/35/163211735.db2.gz PRWDTSWDKCDHTL-QGZVFWFLSA-N 2 1 339.483 3.413 20 0 EGADMP CC(C)OC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338334463 163214296 /nfs/dbraw/zinc/21/42/96/163214296.db2.gz VOFBRZFHJIUXFI-SFHVURJKSA-N 2 1 332.488 3.218 20 0 EGADMP CC(C)OC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338334463 163214297 /nfs/dbraw/zinc/21/42/97/163214297.db2.gz VOFBRZFHJIUXFI-SFHVURJKSA-N 2 1 332.488 3.218 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000354807567 166036852 /nfs/dbraw/zinc/03/68/52/166036852.db2.gz DSXNFDKSOFBJSK-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000354807567 166036855 /nfs/dbraw/zinc/03/68/55/166036855.db2.gz DSXNFDKSOFBJSK-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000354807567 166036857 /nfs/dbraw/zinc/03/68/57/166036857.db2.gz DSXNFDKSOFBJSK-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1(C)C ZINC000344001573 164080147 /nfs/dbraw/zinc/08/01/47/164080147.db2.gz ARXCDIPFODHUQL-NSISKUIASA-N 2 1 346.515 3.201 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1(C)C ZINC000344001573 164080149 /nfs/dbraw/zinc/08/01/49/164080149.db2.gz ARXCDIPFODHUQL-NSISKUIASA-N 2 1 346.515 3.201 20 0 EGADMP CC[NH+](CC)CCOc1ccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000344451514 164181921 /nfs/dbraw/zinc/18/19/21/164181921.db2.gz BYQLQPPUTSGFQS-CALCHBBNSA-N 2 1 347.503 3.219 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+](CC)CC ZINC000346154182 164351770 /nfs/dbraw/zinc/35/17/70/164351770.db2.gz SNLAVGNXSDOIOY-CEXWTWQISA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+](CC)Cc1nc(-c2ccc(OCC[NH+]3CCCC3)cc2)no1 ZINC000346364939 164375201 /nfs/dbraw/zinc/37/52/01/164375201.db2.gz HXAWGPBNZZCEFX-UHFFFAOYSA-N 2 1 344.459 3.053 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000350319811 165029620 /nfs/dbraw/zinc/02/96/20/165029620.db2.gz FWIZGHVJMJLVIE-GOEBONIOSA-N 2 1 326.431 3.459 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000350319811 165029625 /nfs/dbraw/zinc/02/96/25/165029625.db2.gz FWIZGHVJMJLVIE-GOEBONIOSA-N 2 1 326.431 3.459 20 0 EGADMP CCOc1ccc(C[NH+]2CCN(CC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000351637581 165108285 /nfs/dbraw/zinc/10/82/85/165108285.db2.gz ALTVMCJGYDSHPW-HXUWFJFHSA-N 2 1 345.531 3.077 20 0 EGADMP CCOc1ccc(C[NH+]2CCN(CC[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000351637581 165108286 /nfs/dbraw/zinc/10/82/86/165108286.db2.gz ALTVMCJGYDSHPW-HXUWFJFHSA-N 2 1 345.531 3.077 20 0 EGADMP COc1ccc2nc(C[N@@H+]3CCCC34CC[NH+](C)CC4)sc2c1 ZINC000355036057 166089852 /nfs/dbraw/zinc/08/98/52/166089852.db2.gz HPBOSZNMHSTACZ-UHFFFAOYSA-N 2 1 331.485 3.365 20 0 EGADMP COc1ccc2nc(C[N@H+]3CCCC34CC[NH+](C)CC4)sc2c1 ZINC000355036057 166089854 /nfs/dbraw/zinc/08/98/54/166089854.db2.gz HPBOSZNMHSTACZ-UHFFFAOYSA-N 2 1 331.485 3.365 20 0 EGADMP CC[NH+](CC)Cc1ccccc1CNCc1ncc(C[NH+](C)C)s1 ZINC000352256031 165313669 /nfs/dbraw/zinc/31/36/69/165313669.db2.gz FVANIMXZQMDBMC-UHFFFAOYSA-N 2 1 346.544 3.336 20 0 EGADMP Cc1cc(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)cn2cc[nH+]c12 ZINC000355489168 166218673 /nfs/dbraw/zinc/21/86/73/166218673.db2.gz YQECFHHYFPDZKP-UHFFFAOYSA-N 2 1 343.390 3.456 20 0 EGADMP Cc1ccc2c(C)cc(N3CCC(OCC[NH+](C)C)CC3)[nH+]c2c1 ZINC000359251755 167107048 /nfs/dbraw/zinc/10/70/48/167107048.db2.gz JRQNBQFMOMBFPU-UHFFFAOYSA-N 2 1 327.472 3.399 20 0 EGADMP CCOc1cc(C[N@H+](CCC[NH3+])Cc2ccccc2)ccc1OC ZINC000359460725 167163028 /nfs/dbraw/zinc/16/30/28/167163028.db2.gz SLLHDGAJVHQPCV-UHFFFAOYSA-N 2 1 328.456 3.445 20 0 EGADMP CCOc1cc(C[N@@H+](CCC[NH3+])Cc2ccccc2)ccc1OC ZINC000359460725 167163030 /nfs/dbraw/zinc/16/30/30/167163030.db2.gz SLLHDGAJVHQPCV-UHFFFAOYSA-N 2 1 328.456 3.445 20 0 EGADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000359462522 167163121 /nfs/dbraw/zinc/16/31/21/167163121.db2.gz WRNVVYVINZAKOA-IAGOWNOFSA-N 2 1 348.450 3.092 20 0 EGADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccsc2Cl)C1 ZINC000359673520 167207605 /nfs/dbraw/zinc/20/76/05/167207605.db2.gz NVBZPARADGHIPC-MRXNPFEDSA-N 2 1 336.888 3.258 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccsc2Cl)C1 ZINC000359673520 167207607 /nfs/dbraw/zinc/20/76/07/167207607.db2.gz NVBZPARADGHIPC-MRXNPFEDSA-N 2 1 336.888 3.258 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000359737817 167219190 /nfs/dbraw/zinc/21/91/90/167219190.db2.gz URKFBBFFXIHSMH-CZUORRHYSA-N 2 1 330.394 3.195 20 0 EGADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000359774671 167229892 /nfs/dbraw/zinc/22/98/92/167229892.db2.gz NRIODGCWFRWINJ-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000359774671 167229895 /nfs/dbraw/zinc/22/98/95/167229895.db2.gz NRIODGCWFRWINJ-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000359774671 167229898 /nfs/dbraw/zinc/22/98/98/167229898.db2.gz NRIODGCWFRWINJ-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000359774671 167229902 /nfs/dbraw/zinc/22/99/02/167229902.db2.gz NRIODGCWFRWINJ-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP FC(F)(F)c1cccc(OCCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360554344 167356685 /nfs/dbraw/zinc/35/66/85/167356685.db2.gz VZMLJPCKJVIMPQ-INIZCTEOSA-N 2 1 328.378 3.160 20 0 EGADMP C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000360587813 167364121 /nfs/dbraw/zinc/36/41/21/167364121.db2.gz DDNFGTQSYPPASD-KBXCAEBGSA-N 2 1 329.419 3.443 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000360587813 167364124 /nfs/dbraw/zinc/36/41/24/167364124.db2.gz DDNFGTQSYPPASD-KBXCAEBGSA-N 2 1 329.419 3.443 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000360587813 167364127 /nfs/dbraw/zinc/36/41/27/167364127.db2.gz DDNFGTQSYPPASD-KBXCAEBGSA-N 2 1 329.419 3.443 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366219885 168095542 /nfs/dbraw/zinc/09/55/42/168095542.db2.gz CEIHWMFDCYKZFV-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)Nc3cccc(Cl)c3)C2)CC1 ZINC000366867910 168150302 /nfs/dbraw/zinc/15/03/02/168150302.db2.gz WGZRLJRWARFCDI-UHFFFAOYSA-N 2 1 335.879 3.086 20 0 EGADMP CC[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000366951329 168160647 /nfs/dbraw/zinc/16/06/47/168160647.db2.gz IVVZQEISAWXYGF-VQTJNVASSA-N 2 1 326.488 3.373 20 0 EGADMP C[C@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367030481 168170011 /nfs/dbraw/zinc/17/00/11/168170011.db2.gz QSFDFKFAPPWDSU-FXAWDEMLSA-N 2 1 349.950 3.230 20 0 EGADMP Cc1cc(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000367600793 168247762 /nfs/dbraw/zinc/24/77/62/168247762.db2.gz ZWOCOZIZQFEECO-DFQSSKMNSA-N 2 1 325.456 3.026 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(-c2cccs2)n1 ZINC000367681500 168258014 /nfs/dbraw/zinc/25/80/14/168258014.db2.gz CJYJZPGOAAMPKL-MRXNPFEDSA-N 2 1 344.528 3.312 20 0 EGADMP COC(=O)Nc1cccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000367700918 168260949 /nfs/dbraw/zinc/26/09/49/168260949.db2.gz XHTSOVFGZWXAGC-UHFFFAOYSA-N 2 1 331.460 3.362 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000158949587 225114951 /nfs/dbraw/zinc/11/49/51/225114951.db2.gz MBQVEFUPLHXOHK-KRWDZBQOSA-N 2 1 343.515 3.262 20 0 EGADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000173781199 265001840 /nfs/dbraw/zinc/00/18/40/265001840.db2.gz ALWZCPGMNQEKDV-SFHVURJKSA-N 2 1 332.488 3.414 20 0 EGADMP CCOc1ccccc1OCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000173781199 265001843 /nfs/dbraw/zinc/00/18/43/265001843.db2.gz ALWZCPGMNQEKDV-SFHVURJKSA-N 2 1 332.488 3.414 20 0 EGADMP CC(C)[NH2+]C1CC[NH+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195166234 266164277 /nfs/dbraw/zinc/16/42/77/266164277.db2.gz FUUZPJANZLZOAO-LJQANCHMSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@H+](CCc1ccc(Br)cc1)CC[C@H]1CCC[NH2+]C1 ZINC000259009669 266264246 /nfs/dbraw/zinc/26/42/46/266264246.db2.gz MXQBTJFKJJIOLI-OAHLLOKOSA-N 2 1 325.294 3.313 20 0 EGADMP c1cc2nsnc2c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000269667274 266338310 /nfs/dbraw/zinc/33/83/10/266338310.db2.gz QLOANOUDYKEHQG-SUMWQHHRSA-N 2 1 328.485 3.140 20 0 EGADMP c1cc2nsnc2c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000269667274 266338313 /nfs/dbraw/zinc/33/83/13/266338313.db2.gz QLOANOUDYKEHQG-SUMWQHHRSA-N 2 1 328.485 3.140 20 0 EGADMP c1cc2nsnc2c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000269667274 266338318 /nfs/dbraw/zinc/33/83/18/266338318.db2.gz QLOANOUDYKEHQG-SUMWQHHRSA-N 2 1 328.485 3.140 20 0 EGADMP c1cc2nsnc2c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000269667274 266338322 /nfs/dbraw/zinc/33/83/22/266338322.db2.gz QLOANOUDYKEHQG-SUMWQHHRSA-N 2 1 328.485 3.140 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000273255453 267006508 /nfs/dbraw/zinc/00/65/08/267006508.db2.gz CSFGOROVWMOPGL-LBPRGKRZSA-N 2 1 329.379 3.122 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273630127 267071869 /nfs/dbraw/zinc/07/18/69/267071869.db2.gz SGCNNHRJFUZFGW-HKUYNNGSSA-N 2 1 329.419 3.297 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000273866078 267127968 /nfs/dbraw/zinc/12/79/68/267127968.db2.gz VKTFSPHBQNQABN-UHFFFAOYSA-N 2 1 325.456 3.068 20 0 EGADMP Cc1cc(C)n(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000274852133 267297607 /nfs/dbraw/zinc/29/76/07/267297607.db2.gz REIDNKXTSAXMOZ-OXJNMPFZSA-N 2 1 326.488 3.000 20 0 EGADMP C[C@H](NC1CC[NH+](C2CC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274924625 267306830 /nfs/dbraw/zinc/30/68/30/267306830.db2.gz PPWITBKFPGHSBP-HKUYNNGSSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H]([NH2+]C1CCN(C2CC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274924625 267306835 /nfs/dbraw/zinc/30/68/35/267306835.db2.gz PPWITBKFPGHSBP-HKUYNNGSSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H]([NH2+]C1CCN(C2CC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274924625 267306836 /nfs/dbraw/zinc/30/68/36/267306836.db2.gz PPWITBKFPGHSBP-HKUYNNGSSA-N 2 1 327.516 3.113 20 0 EGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000275158638 267324794 /nfs/dbraw/zinc/32/47/94/267324794.db2.gz AFVWXVZIBBMNOF-FQEVSTJZSA-N 2 1 330.516 3.488 20 0 EGADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OC(F)F ZINC000275278440 267340483 /nfs/dbraw/zinc/34/04/83/267340483.db2.gz MTJMXJLJDOXXEI-OCCSQVGLSA-N 2 1 328.403 3.069 20 0 EGADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OC(F)F ZINC000275278440 267340484 /nfs/dbraw/zinc/34/04/84/267340484.db2.gz MTJMXJLJDOXXEI-OCCSQVGLSA-N 2 1 328.403 3.069 20 0 EGADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000275278440 267340485 /nfs/dbraw/zinc/34/04/85/267340485.db2.gz MTJMXJLJDOXXEI-OCCSQVGLSA-N 2 1 328.403 3.069 20 0 EGADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000275278440 267340486 /nfs/dbraw/zinc/34/04/86/267340486.db2.gz MTJMXJLJDOXXEI-OCCSQVGLSA-N 2 1 328.403 3.069 20 0 EGADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OC(F)F ZINC000275278444 267340966 /nfs/dbraw/zinc/34/09/66/267340966.db2.gz MTJMXJLJDOXXEI-TZMCWYRMSA-N 2 1 328.403 3.069 20 0 EGADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OC(F)F ZINC000275278444 267340970 /nfs/dbraw/zinc/34/09/70/267340970.db2.gz MTJMXJLJDOXXEI-TZMCWYRMSA-N 2 1 328.403 3.069 20 0 EGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000275278444 267340972 /nfs/dbraw/zinc/34/09/72/267340972.db2.gz MTJMXJLJDOXXEI-TZMCWYRMSA-N 2 1 328.403 3.069 20 0 EGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000275278444 267340973 /nfs/dbraw/zinc/34/09/73/267340973.db2.gz MTJMXJLJDOXXEI-TZMCWYRMSA-N 2 1 328.403 3.069 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000278447372 268014688 /nfs/dbraw/zinc/01/46/88/268014688.db2.gz IBSYNIOOJIMUFF-MSOLQXFVSA-N 2 1 342.487 3.024 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000044533221 275131764 /nfs/dbraw/zinc/13/17/64/275131764.db2.gz RWSBXSFRIVIDNA-CHWSQXEVSA-N 2 1 341.293 3.450 20 0 EGADMP C[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000237432977 275231605 /nfs/dbraw/zinc/23/16/05/275231605.db2.gz BNUKIIKWAAQROG-QFBILLFUSA-N 2 1 331.504 3.093 20 0 EGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278734734 275270009 /nfs/dbraw/zinc/27/00/09/275270009.db2.gz WLCKQUSAWBCTNF-HKUYNNGSSA-N 2 1 332.488 3.299 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(OC(F)F)c1 ZINC000278742844 275270692 /nfs/dbraw/zinc/27/06/92/275270692.db2.gz WTSDZNBWFZLESL-LSDHHAIUSA-N 2 1 342.430 3.440 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(OC(F)F)c1 ZINC000278742844 275270693 /nfs/dbraw/zinc/27/06/93/275270693.db2.gz WTSDZNBWFZLESL-LSDHHAIUSA-N 2 1 342.430 3.440 20 0 EGADMP COCCSCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000278924573 275288030 /nfs/dbraw/zinc/28/80/30/275288030.db2.gz VJIWLSRUMRZXLK-HKUYNNGSSA-N 2 1 336.545 3.256 20 0 EGADMP Fc1ccc([C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)c2ccccc2)nc1 ZINC000278987114 275293708 /nfs/dbraw/zinc/29/37/08/275293708.db2.gz PQMPSJOMKLOKMZ-QRWLVFNGSA-N 2 1 336.414 3.359 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC000286978320 276065814 /nfs/dbraw/zinc/06/58/14/276065814.db2.gz IWFXWFWQCFPSOQ-POAQFYNOSA-N 2 1 333.520 3.149 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)nc2C)C1 ZINC000339008880 276100433 /nfs/dbraw/zinc/10/04/33/276100433.db2.gz ALSDZMRNTMVTTM-LJQANCHMSA-N 2 1 333.520 3.446 20 0 EGADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000287259737 276101939 /nfs/dbraw/zinc/10/19/39/276101939.db2.gz CAFCRKDNNGIAKG-QNDFHXLGSA-N 2 1 328.500 3.159 20 0 EGADMP COC[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1F ZINC000287845830 276162787 /nfs/dbraw/zinc/16/27/87/276162787.db2.gz WMBXPCLXFNNEDO-BLLLJJGKSA-N 2 1 326.843 3.241 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287904237 276168235 /nfs/dbraw/zinc/16/82/35/276168235.db2.gz ZUNARHMIJFXQHI-DLBZAZTESA-N 2 1 327.476 3.038 20 0 EGADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1sccc1Cl ZINC000288559645 276227974 /nfs/dbraw/zinc/22/79/74/276227974.db2.gz MDQPIERUOXRZSM-UHFFFAOYSA-N 2 1 339.892 3.417 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc([C@@H](C)O)s2)c1 ZINC000289355072 276326848 /nfs/dbraw/zinc/32/68/48/276326848.db2.gz XZADMPOTWSTFRW-CQSZACIVSA-N 2 1 333.501 3.326 20 0 EGADMP CC[C@H](c1cccc(OC)c1)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000289363494 276328084 /nfs/dbraw/zinc/32/80/84/276328084.db2.gz HOZCUBHKVWEEOL-OAQYLSRUSA-N 2 1 347.547 3.494 20 0 EGADMP CC[C@]1(C[NH2+]Cc2c[nH+]ccc2N(C)C)OCCc2ccccc21 ZINC000289703095 276380702 /nfs/dbraw/zinc/38/07/02/276380702.db2.gz DPFJFMDZOBXYNV-HXUWFJFHSA-N 2 1 325.456 3.115 20 0 EGADMP C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000360717872 278336592 /nfs/dbraw/zinc/33/65/92/278336592.db2.gz KDSAZJGEIXQYGR-HZPDHXFCSA-N 2 1 348.560 3.355 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)cc1)C(C)C ZINC000108781712 279235434 /nfs/dbraw/zinc/23/54/34/279235434.db2.gz FQPQIXZUZCIEHA-GOSISDBHSA-N 2 1 343.515 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1)C(C)C ZINC000108781712 279235435 /nfs/dbraw/zinc/23/54/35/279235435.db2.gz FQPQIXZUZCIEHA-GOSISDBHSA-N 2 1 343.515 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1)C(C)C ZINC000108781712 279235436 /nfs/dbraw/zinc/23/54/36/279235436.db2.gz FQPQIXZUZCIEHA-GOSISDBHSA-N 2 1 343.515 3.131 20 0 EGADMP C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000359970145 279254135 /nfs/dbraw/zinc/25/41/35/279254135.db2.gz KUSYZRMGLRWTLL-PBHICJAKSA-N 2 1 344.421 3.464 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC000366877953 280391499 /nfs/dbraw/zinc/39/14/99/280391499.db2.gz CPCKAEJIEPZYGG-UHFFFAOYSA-N 2 1 343.515 3.358 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCc4c3cccc4F)CC2)nc(C)[nH+]1 ZINC000267461446 280545585 /nfs/dbraw/zinc/54/55/85/280545585.db2.gz VGMIZMUXSNHCLM-LJQANCHMSA-N 2 1 340.446 3.478 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)ccc(O)c2n1 ZINC000338276222 281045915 /nfs/dbraw/zinc/04/59/15/281045915.db2.gz CJPUOLMFVKPUCA-FUHWJXTLSA-N 2 1 325.456 3.165 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)ccc(O)c2n1 ZINC000338276222 281045916 /nfs/dbraw/zinc/04/59/16/281045916.db2.gz CJPUOLMFVKPUCA-FUHWJXTLSA-N 2 1 325.456 3.165 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)ccc(O)c2n1 ZINC000338276222 281045918 /nfs/dbraw/zinc/04/59/18/281045918.db2.gz CJPUOLMFVKPUCA-FUHWJXTLSA-N 2 1 325.456 3.165 20 0 EGADMP CN(C)C(=O)C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000360577979 288971465 /nfs/dbraw/zinc/97/14/65/288971465.db2.gz FAXNRZIVTDDSEZ-SFHVURJKSA-N 2 1 331.504 3.059 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCOCC3)C2)C[C@H]1c1ccccc1 ZINC000340307324 290226114 /nfs/dbraw/zinc/22/61/14/290226114.db2.gz VEZUMTFRPBBDQJ-UFYCRDLUSA-N 2 1 344.499 3.140 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCOCC3)C2)C[C@H]1c1ccccc1 ZINC000340307324 290226118 /nfs/dbraw/zinc/22/61/18/290226118.db2.gz VEZUMTFRPBBDQJ-UFYCRDLUSA-N 2 1 344.499 3.140 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@]2(C)CCCC[NH2+]2)cc1 ZINC000357787414 290392438 /nfs/dbraw/zinc/39/24/38/290392438.db2.gz HQIAJQJHHCOOCK-UWJYYQICSA-N 2 1 343.515 3.209 20 0 EGADMP COc1ccc(C[N@@H+](CC2CCC2)C[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000261650372 295126436 /nfs/dbraw/zinc/12/64/36/295126436.db2.gz BAGNXZMRQXGLHC-QGZVFWFLSA-N 2 1 332.488 3.306 20 0 EGADMP C[C@H]1C[N@H+]([C@H]2CCc3ccc(Cl)cc32)CCN1C1CC[NH+](C)CC1 ZINC000343753383 300294125 /nfs/dbraw/zinc/29/41/25/300294125.db2.gz SWTGRELVOFNHOY-YWZLYKJASA-N 2 1 347.934 3.428 20 0 EGADMP C[C@@H](CCn1cccn1)[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000158979517 533695981 /nfs/dbraw/zinc/69/59/81/533695981.db2.gz YWYSMRVECLKFGF-GSTYJUAJSA-N 2 1 340.515 3.408 20 0 EGADMP Brc1cccc(NCC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000414108591 309061354 /nfs/dbraw/zinc/06/13/54/309061354.db2.gz LZWBVQQFWDMMSL-UHFFFAOYSA-N 2 1 338.293 3.077 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000414168689 309064439 /nfs/dbraw/zinc/06/44/39/309064439.db2.gz APYRVIAVZWZXCB-CVEARBPZSA-N 2 1 348.487 3.464 20 0 EGADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000414173800 309064627 /nfs/dbraw/zinc/06/46/27/309064627.db2.gz GDXVKLNHNCWGDA-ICSRJNTNSA-N 2 1 341.503 3.039 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000414176112 309064871 /nfs/dbraw/zinc/06/48/71/309064871.db2.gz HZJFPYKDSNLTKL-ZFWWWQNUSA-N 2 1 325.522 3.023 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000414191386 309065886 /nfs/dbraw/zinc/06/58/86/309065886.db2.gz RWADOOYMOKKBHO-NSISKUIASA-N 2 1 344.499 3.490 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000414191434 309065984 /nfs/dbraw/zinc/06/59/84/309065984.db2.gz SMAFELWXZIKQMB-JKSUJKDBSA-N 2 1 344.503 3.353 20 0 EGADMP Cc1occc1C[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000414274029 309070198 /nfs/dbraw/zinc/07/01/98/309070198.db2.gz PBXUVIAARJATMP-FQEVSTJZSA-N 2 1 327.472 3.056 20 0 EGADMP Cc1occc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000414292488 309070898 /nfs/dbraw/zinc/07/08/98/309070898.db2.gz LOEBSVRYPQBOKI-IYBDPMFKSA-N 2 1 328.456 3.487 20 0 EGADMP OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248422477 308003159 /nfs/dbraw/zinc/00/31/59/308003159.db2.gz YPSYNBPYBYIEQO-JRSUCEMESA-N 2 1 328.500 3.038 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC(C)C)c2ccccc2OC)[C@H](C)C1 ZINC000248634880 308007994 /nfs/dbraw/zinc/00/79/94/308007994.db2.gz JYTGSWILJIJQIT-IMFGXOCKSA-N 2 1 334.504 3.481 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000249133021 308020037 /nfs/dbraw/zinc/02/00/37/308020037.db2.gz YHWQPDFAHXCGQZ-XYPHTWIQSA-N 2 1 326.843 3.383 20 0 EGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCc3nc(-c4ccccc4)no3)C2)C1 ZINC000292966654 308085065 /nfs/dbraw/zinc/08/50/65/308085065.db2.gz LWJGAMKUPFZZPB-FQEVSTJZSA-N 2 1 340.471 3.087 20 0 EGADMP C[C@H](c1nc(-c2ccccc2)no1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292997966 308088402 /nfs/dbraw/zinc/08/84/02/308088402.db2.gz OPCXNDYAGYLGFK-DNVCBOLYSA-N 2 1 326.444 3.215 20 0 EGADMP Cc1sccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000293143812 308103517 /nfs/dbraw/zinc/10/35/17/308103517.db2.gz DCZNZWJASGOTJS-LJQANCHMSA-N 2 1 330.497 3.303 20 0 EGADMP CC[NH+](CC)CCOCC[N@H+](Cc1conc1C)Cc1ccccc1 ZINC000293655395 308150146 /nfs/dbraw/zinc/15/01/46/308150146.db2.gz OZKCGVXSWJCGMP-UHFFFAOYSA-N 2 1 345.487 3.344 20 0 EGADMP CC[NH+](CC)CCOCC[N@@H+](Cc1conc1C)Cc1ccccc1 ZINC000293655395 308150147 /nfs/dbraw/zinc/15/01/47/308150147.db2.gz OZKCGVXSWJCGMP-UHFFFAOYSA-N 2 1 345.487 3.344 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000293770935 308160435 /nfs/dbraw/zinc/16/04/35/308160435.db2.gz POLRTFQIDMNPRR-NSHDSACASA-N 2 1 326.263 3.293 20 0 EGADMP Cc1cc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cn2cc[nH+]c12 ZINC000293810928 308164426 /nfs/dbraw/zinc/16/44/26/308164426.db2.gz FDEGICSFDDHSOL-UHFFFAOYSA-N 2 1 348.450 3.493 20 0 EGADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@@H+](Cc2ccccc2)C1 ZINC000295122711 308294240 /nfs/dbraw/zinc/29/42/40/308294240.db2.gz XOYHLPMYRWHWFH-BELYLAKWSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH+](Cc2ccccc2)C1 ZINC000295122711 308294242 /nfs/dbraw/zinc/29/42/42/308294242.db2.gz XOYHLPMYRWHWFH-BELYLAKWSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH+](Cc2ccccc2)C1 ZINC000295122711 308294244 /nfs/dbraw/zinc/29/42/44/308294244.db2.gz XOYHLPMYRWHWFH-BELYLAKWSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN(Cc2ccccc2)C1 ZINC000295122711 308294246 /nfs/dbraw/zinc/29/42/46/308294246.db2.gz XOYHLPMYRWHWFH-BELYLAKWSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN(Cc2ccccc2)C1 ZINC000295122711 308294248 /nfs/dbraw/zinc/29/42/48/308294248.db2.gz XOYHLPMYRWHWFH-BELYLAKWSA-N 2 1 327.516 3.112 20 0 EGADMP Cc1ccccc1[C@H]([NH3+])C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000295209103 308302932 /nfs/dbraw/zinc/30/29/32/308302932.db2.gz PVNZUZRLUOVUIP-PXNSSMCTSA-N 2 1 339.483 3.022 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CC(C)(C)c3cccnc3)sc2C1 ZINC000414551153 309088385 /nfs/dbraw/zinc/08/83/85/309088385.db2.gz BCKJKZCMNVPXKX-UHFFFAOYSA-N 2 1 344.528 3.372 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CC(C)(C)c3cccnc3)sc2C1 ZINC000414551153 309088386 /nfs/dbraw/zinc/08/83/86/309088386.db2.gz BCKJKZCMNVPXKX-UHFFFAOYSA-N 2 1 344.528 3.372 20 0 EGADMP Oc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1Cl ZINC000295399692 308322509 /nfs/dbraw/zinc/32/25/09/308322509.db2.gz QOXMIAHGIHFNHH-UHFFFAOYSA-N 2 1 338.879 3.122 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OCc1ccccc1 ZINC000414654223 309093901 /nfs/dbraw/zinc/09/39/01/309093901.db2.gz BPFMTKIUXFKLNN-QFBILLFUSA-N 2 1 340.467 3.443 20 0 EGADMP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414697860 309095990 /nfs/dbraw/zinc/09/59/90/309095990.db2.gz CLCYVDCEMQZJNK-NRSPTQNISA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414697860 309095991 /nfs/dbraw/zinc/09/59/91/309095991.db2.gz CLCYVDCEMQZJNK-NRSPTQNISA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414697860 309095992 /nfs/dbraw/zinc/09/59/92/309095992.db2.gz CLCYVDCEMQZJNK-NRSPTQNISA-N 3 1 329.532 3.219 20 0 EGADMP CC[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414697860 309095993 /nfs/dbraw/zinc/09/59/93/309095993.db2.gz CLCYVDCEMQZJNK-NRSPTQNISA-N 2 1 329.532 3.219 20 0 EGADMP CC[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414697860 309095994 /nfs/dbraw/zinc/09/59/94/309095994.db2.gz CLCYVDCEMQZJNK-NRSPTQNISA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CC[NH2+]1 ZINC000414715668 309097074 /nfs/dbraw/zinc/09/70/74/309097074.db2.gz ZBJGNEKGCVHHOJ-JKIFEVAISA-N 2 1 340.414 3.049 20 0 EGADMP CCOc1cc2c(cc1OCC)C[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000414682058 309095216 /nfs/dbraw/zinc/09/52/16/309095216.db2.gz XNCYUKKIOTZJAW-HOTGVXAUSA-N 2 1 332.488 3.230 20 0 EGADMP CCCC1CCC([N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C(C)C)CC1 ZINC000414692412 309095731 /nfs/dbraw/zinc/09/57/31/309095731.db2.gz QATLLSYABZKMPI-JLAWEPINSA-N 2 1 337.552 3.253 20 0 EGADMP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)CC[NH2+]1 ZINC000414760109 309099146 /nfs/dbraw/zinc/09/91/46/309099146.db2.gz XUCXTRMLYGZYJT-IIYDPXPESA-N 2 1 326.843 3.241 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)CC[NH2+]1 ZINC000414760109 309099147 /nfs/dbraw/zinc/09/91/47/309099147.db2.gz XUCXTRMLYGZYJT-IIYDPXPESA-N 2 1 326.843 3.241 20 0 EGADMP CCOc1c(Cl)cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000414763873 309099334 /nfs/dbraw/zinc/09/93/34/309099334.db2.gz CRSQDCWOFCYHPZ-GASCZTMLSA-N 2 1 338.879 3.179 20 0 EGADMP C[C@@H](O)C[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000414768318 309099623 /nfs/dbraw/zinc/09/96/23/309099623.db2.gz USBJQHPDLCULQZ-HPFXQQBRSA-N 2 1 338.923 3.342 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OC(F)F ZINC000414778974 309100490 /nfs/dbraw/zinc/10/04/90/309100490.db2.gz JVGQGQLSELDEMT-LSDHHAIUSA-N 2 1 340.414 3.118 20 0 EGADMP c1nc(-c2ccccn2)sc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414778443 309100500 /nfs/dbraw/zinc/10/05/00/309100500.db2.gz IWDLRABZIVSECH-GJZGRUSLSA-N 2 1 328.485 3.027 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414782239 309100904 /nfs/dbraw/zinc/10/09/04/309100904.db2.gz OBSKKYWRJXPDMP-MSOLQXFVSA-N 2 1 332.488 3.306 20 0 EGADMP c1cn2c(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c(C3CC3)nc2s1 ZINC000414789192 309101463 /nfs/dbraw/zinc/10/14/63/309101463.db2.gz XXOBLKCMFQLDDV-GJZGRUSLSA-N 2 1 330.501 3.095 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000414792850 309101660 /nfs/dbraw/zinc/10/16/60/309101660.db2.gz SXBNJTSILMAQJP-CVEARBPZSA-N 2 1 346.368 3.173 20 0 EGADMP CCOc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1OCc1ccccc1 ZINC000414795499 309101935 /nfs/dbraw/zinc/10/19/35/309101935.db2.gz AMFITUAJKQYJSX-UHFFFAOYSA-N 2 1 328.456 3.491 20 0 EGADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414795648 309101987 /nfs/dbraw/zinc/10/19/87/309101987.db2.gz NJOCCAIFZOULBL-IBGZPJMESA-N 2 1 335.455 3.007 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414812688 309103120 /nfs/dbraw/zinc/10/31/20/309103120.db2.gz LIKYYJRCTJHJLE-ZBFHGGJFSA-N 2 1 339.911 3.184 20 0 EGADMP CC(C)[N@H+]1CCc2nc(CN3CC[NH2+]Cc4ccccc43)sc2C1 ZINC000414822331 309103834 /nfs/dbraw/zinc/10/38/34/309103834.db2.gz DURINBQNXFITKC-UHFFFAOYSA-N 2 1 342.512 3.019 20 0 EGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414830434 309104199 /nfs/dbraw/zinc/10/41/99/309104199.db2.gz AZKCUCJJXUFLSM-OLZOCXBDSA-N 2 1 345.409 3.386 20 0 EGADMP COc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1OC(F)F ZINC000414831657 309104540 /nfs/dbraw/zinc/10/45/40/309104540.db2.gz CUOHSRXUJMVQMA-CQSZACIVSA-N 2 1 328.403 3.294 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)C1 ZINC000413168301 309019362 /nfs/dbraw/zinc/01/93/62/309019362.db2.gz LAVBPYQMXUZOQY-OAHLLOKOSA-N 2 1 343.471 3.420 20 0 EGADMP C[C@@H](C[NH3+])C[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000414886427 309107304 /nfs/dbraw/zinc/10/73/04/309107304.db2.gz YDBLLOJXGWSTBY-JTQLQIEISA-N 2 1 340.290 3.257 20 0 EGADMP [NH3+][C@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1)C1CC1 ZINC000414895009 309107912 /nfs/dbraw/zinc/10/79/12/309107912.db2.gz VBCHDXPZLJHFJC-OAQYLSRUSA-N 2 1 346.478 3.425 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414902124 309108387 /nfs/dbraw/zinc/10/83/87/309108387.db2.gz KKECTKANJZKKFT-OAQYLSRUSA-N 2 1 340.515 3.336 20 0 EGADMP CSc1cc(Br)ccc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414947979 309110818 /nfs/dbraw/zinc/11/08/18/309110818.db2.gz LPPSTWBMPXYGME-GWCFXTLKSA-N 2 1 329.307 3.401 20 0 EGADMP CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414951026 309110872 /nfs/dbraw/zinc/11/08/72/309110872.db2.gz PLQTZKHBZZQMKI-OCCSQVGLSA-N 2 1 326.868 3.368 20 0 EGADMP CC(C)COc1cccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000415058573 309117482 /nfs/dbraw/zinc/11/74/82/309117482.db2.gz UCNWPYJSUKEEEZ-UHFFFAOYSA-N 2 1 345.531 3.027 20 0 EGADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)ccc1OCC(F)(F)F ZINC000415065611 309117910 /nfs/dbraw/zinc/11/79/10/309117910.db2.gz NFGZZRHGKMJMFC-CQSZACIVSA-N 2 1 346.393 3.243 20 0 EGADMP c1ccc2nc(N3CCCCC3)c(C[NH2+]CCC[NH2+]C3CC3)cc2c1 ZINC000415069544 309118034 /nfs/dbraw/zinc/11/80/34/309118034.db2.gz OWMRYZHNUJHBKW-UHFFFAOYSA-N 2 1 338.499 3.457 20 0 EGADMP CCOc1ccc(C2(C[NH2+]CC[NH2+]C(C)(C)C)CCOCC2)cc1 ZINC000415075845 309118504 /nfs/dbraw/zinc/11/85/04/309118504.db2.gz AMRDLZOLNHLZSK-UHFFFAOYSA-N 2 1 334.504 3.111 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000415075128 309118600 /nfs/dbraw/zinc/11/86/00/309118600.db2.gz BBWGAPOYQRKWQR-MJGOQNOKSA-N 3 1 333.520 3.027 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000415927928 309149241 /nfs/dbraw/zinc/14/92/41/309149241.db2.gz DWASGMIBPCEHRF-JKSUJKDBSA-N 2 1 332.492 3.181 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415960747 309151367 /nfs/dbraw/zinc/15/13/67/309151367.db2.gz CAWZEMVFLZNACW-NSHDSACASA-N 2 1 346.397 3.016 20 0 EGADMP C[NH+](C)C1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000417353282 309202650 /nfs/dbraw/zinc/20/26/50/309202650.db2.gz ILHZQKHVKFATGE-XUVXKRRUSA-N 2 1 327.516 3.113 20 0 EGADMP CN(C)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000417353282 309202651 /nfs/dbraw/zinc/20/26/51/309202651.db2.gz ILHZQKHVKFATGE-XUVXKRRUSA-N 2 1 327.516 3.113 20 0 EGADMP CN(C)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000417353282 309202652 /nfs/dbraw/zinc/20/26/52/309202652.db2.gz ILHZQKHVKFATGE-XUVXKRRUSA-N 2 1 327.516 3.113 20 0 EGADMP CN(C)C(=O)c1ccccc1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000417837276 309224532 /nfs/dbraw/zinc/22/45/32/309224532.db2.gz JPKVXZOUNYTAHU-UHFFFAOYSA-N 2 1 339.483 3.000 20 0 EGADMP CN(C)C(=O)c1ccccc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000417837276 309224533 /nfs/dbraw/zinc/22/45/33/309224533.db2.gz JPKVXZOUNYTAHU-UHFFFAOYSA-N 2 1 339.483 3.000 20 0 EGADMP Cc1[nH+]ccn1-c1cncc(NC[C@H]([NH3+])c2ccc(C(C)C)cc2)n1 ZINC000420180482 309276801 /nfs/dbraw/zinc/27/68/01/309276801.db2.gz BNNSRTQGSQGAQQ-KRWDZBQOSA-N 2 1 336.443 3.206 20 0 EGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420301299 309280473 /nfs/dbraw/zinc/28/04/73/309280473.db2.gz AMULHAXNYDPIEO-HKBOAZHASA-N 3 1 329.532 3.048 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[NH2+]C(C)(C)c2nc(C)c(C)s2)cc1 ZINC000420307339 309280808 /nfs/dbraw/zinc/28/08/08/309280808.db2.gz BNUKVLXLTCRVLC-HNNXBMFYSA-N 2 1 333.501 3.336 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)CCC2)c1 ZINC000420316181 309281614 /nfs/dbraw/zinc/28/16/14/309281614.db2.gz LLJIWAPDFGLWBI-FUHWJXTLSA-N 2 1 332.488 3.051 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420344296 309283358 /nfs/dbraw/zinc/28/33/58/309283358.db2.gz SOJLOBKIAUFLOI-CZUORRHYSA-N 2 1 335.879 3.131 20 0 EGADMP FC(F)Oc1ccc([C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000420354207 309283588 /nfs/dbraw/zinc/28/35/88/309283588.db2.gz CMWBTOCRIIURRT-KRWDZBQOSA-N 2 1 340.414 3.051 20 0 EGADMP [NH3+]C[C@@H]([NH2+]CCOc1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC000420362204 309284269 /nfs/dbraw/zinc/28/42/69/309284269.db2.gz IMWNCIMMJIUUSC-MRXNPFEDSA-N 2 1 346.393 3.461 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CC[C@@H]4CCC[NH2+]C4)CC[C@H]32)cc1 ZINC000420367680 309284455 /nfs/dbraw/zinc/28/44/55/309284455.db2.gz HIQRHSUSFBJAGX-KSEOMHKRSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CC[C@@H]4CCC[NH2+]C4)CC[C@H]32)cc1 ZINC000420367680 309284456 /nfs/dbraw/zinc/28/44/56/309284456.db2.gz HIQRHSUSFBJAGX-KSEOMHKRSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CC[C@@H]4CCC[NH2+]C4)CC[C@H]32)cc1 ZINC000420367680 309284457 /nfs/dbraw/zinc/28/44/57/309284457.db2.gz HIQRHSUSFBJAGX-KSEOMHKRSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3CN(CC[C@@H]4CCC[NH2+]C4)CC[C@H]32)cc1 ZINC000420367680 309284458 /nfs/dbraw/zinc/28/44/58/309284458.db2.gz HIQRHSUSFBJAGX-KSEOMHKRSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(CC[C@@H]4CCC[NH2+]C4)CC[C@H]32)cc1 ZINC000420367680 309284459 /nfs/dbraw/zinc/28/44/59/309284459.db2.gz HIQRHSUSFBJAGX-KSEOMHKRSA-N 2 1 341.543 3.363 20 0 EGADMP C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420964664 309304646 /nfs/dbraw/zinc/30/46/46/309304646.db2.gz NZAUFODBLCOPLD-WMLDXEAASA-N 2 1 342.405 3.292 20 0 EGADMP C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420964664 309304647 /nfs/dbraw/zinc/30/46/47/309304647.db2.gz NZAUFODBLCOPLD-WMLDXEAASA-N 2 1 342.405 3.292 20 0 EGADMP CCCN1C[C@@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1=O ZINC000421356957 309320050 /nfs/dbraw/zinc/32/00/50/309320050.db2.gz YYIDJVRJUPYHDD-NVXWUHKLSA-N 2 1 340.471 3.090 20 0 EGADMP COC1([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCCCC1 ZINC000421830388 309342115 /nfs/dbraw/zinc/34/21/15/309342115.db2.gz BMIOYAPAHIWBEZ-KSZLIROESA-N 2 1 326.525 3.203 20 0 EGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423262853 309392949 /nfs/dbraw/zinc/39/29/49/309392949.db2.gz NMNIPMBMKZIFDB-HZPDHXFCSA-N 2 1 325.294 3.269 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@@H]1C[NH3+] ZINC000422559125 309361575 /nfs/dbraw/zinc/36/15/75/309361575.db2.gz CBZGUSLAVOCVKM-UWVAXJGDSA-N 2 1 339.483 3.466 20 0 EGADMP c1csc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422735785 309365802 /nfs/dbraw/zinc/36/58/02/309365802.db2.gz WPRBDRYBPQJOCA-MLHJIOFPSA-N 2 1 333.545 3.395 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422737673 309366017 /nfs/dbraw/zinc/36/60/17/309366017.db2.gz XQXQCNOFWKKYBH-LMNJBCLMSA-N 2 1 343.515 3.096 20 0 EGADMP CC[C@@H]1CCCCN1CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422737673 309366018 /nfs/dbraw/zinc/36/60/18/309366018.db2.gz XQXQCNOFWKKYBH-LMNJBCLMSA-N 2 1 343.515 3.096 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000422740503 309366122 /nfs/dbraw/zinc/36/61/22/309366122.db2.gz MWIWSECJONVTIS-HXHBTQRASA-N 2 1 337.511 3.370 20 0 EGADMP CN(C)C1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000422766702 309367340 /nfs/dbraw/zinc/36/73/40/309367340.db2.gz XPDAABNKLOXNDR-GHTZIAJQSA-N 2 1 343.515 3.096 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCCC[N@@H+](C)Cc1ccccc1 ZINC000422790881 309368550 /nfs/dbraw/zinc/36/85/50/309368550.db2.gz UNLOUCQFEMYNLQ-INIZCTEOSA-N 2 1 326.488 3.021 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000422790881 309368551 /nfs/dbraw/zinc/36/85/51/309368551.db2.gz UNLOUCQFEMYNLQ-INIZCTEOSA-N 3 1 326.488 3.021 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000422790881 309368552 /nfs/dbraw/zinc/36/85/52/309368552.db2.gz UNLOUCQFEMYNLQ-INIZCTEOSA-N 3 1 326.488 3.021 20 0 EGADMP CCc1cnc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000422795426 309368658 /nfs/dbraw/zinc/36/86/58/309368658.db2.gz VMSMFOPGMFWOSB-YJBOKZPZSA-N 2 1 329.469 3.051 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422839606 309371347 /nfs/dbraw/zinc/37/13/47/309371347.db2.gz QVLAXJUKECPMNB-FUHIMQAGSA-N 2 1 332.536 3.400 20 0 EGADMP CC[C@H](C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)[N@@H+](C)Cc1ccccc1 ZINC000422888497 309374368 /nfs/dbraw/zinc/37/43/68/309374368.db2.gz NBAUWFAPNMJHHV-OXQOHEQNSA-N 2 1 339.483 3.233 20 0 EGADMP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH2+]CC1)CCS2 ZINC000422949762 309377740 /nfs/dbraw/zinc/37/77/40/309377740.db2.gz WHLBCYBPMFMEPO-CYBMUJFWSA-N 2 1 327.291 3.328 20 0 EGADMP COc1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)O[C@@H](C)C2 ZINC000422963931 309378565 /nfs/dbraw/zinc/37/85/65/309378565.db2.gz HITAEVDTARYVCK-OKDNKWQNSA-N 2 1 330.472 3.029 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423003011 309380455 /nfs/dbraw/zinc/38/04/55/309380455.db2.gz KNKORODQQWWIMV-MMKMLUHNSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCN1 ZINC000423003011 309380456 /nfs/dbraw/zinc/38/04/56/309380456.db2.gz KNKORODQQWWIMV-MMKMLUHNSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCN1 ZINC000423003011 309380457 /nfs/dbraw/zinc/38/04/57/309380457.db2.gz KNKORODQQWWIMV-MMKMLUHNSA-N 2 1 329.532 3.407 20 0 EGADMP COC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccc(F)c(F)c1 ZINC000423018237 309381102 /nfs/dbraw/zinc/38/11/02/309381102.db2.gz QLOKWMVOFFOPQT-SGTLLEGYSA-N 2 1 335.398 3.165 20 0 EGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423032019 309382023 /nfs/dbraw/zinc/38/20/23/309382023.db2.gz MBSRDLIEMIUGQI-ZBEGNZNMSA-N 2 1 336.277 3.061 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C12CCOCC2 ZINC000423054573 309383461 /nfs/dbraw/zinc/38/34/61/309383461.db2.gz UZIXEIPDRUNLQD-YSTOQKLRSA-N 2 1 344.499 3.044 20 0 EGADMP Fc1ccc(CCCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423062562 309383834 /nfs/dbraw/zinc/38/38/34/309383834.db2.gz NCZTWIXRTPDSQI-XUVXKRRUSA-N 2 1 334.479 3.285 20 0 EGADMP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1C(F)(F)F ZINC000423093240 309385510 /nfs/dbraw/zinc/38/55/10/309385510.db2.gz GRXLZELHPAQNAA-BTQFLJHSSA-N 2 1 348.796 3.265 20 0 EGADMP FC(F)COc1cnccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423101685 309385867 /nfs/dbraw/zinc/38/58/67/309385867.db2.gz NWAZSLBPMVFPKU-ARFHVFGLSA-N 2 1 339.430 3.126 20 0 EGADMP CCn1ccnc1[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)C1CCOCC1 ZINC000423112100 309386419 /nfs/dbraw/zinc/38/64/19/309386419.db2.gz XBVHSMWTDMLOIG-NZSAHSFTSA-N 2 1 348.535 3.271 20 0 EGADMP COCc1nc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c(-c2ccccc2)s1 ZINC000423114520 309386731 /nfs/dbraw/zinc/38/67/31/309386731.db2.gz ZMBMBRPAGCUFPA-HOCLYGCPSA-N 2 1 345.512 3.434 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)c1nccn1-c1ccccc1 ZINC000423130835 309387404 /nfs/dbraw/zinc/38/74/04/309387404.db2.gz SFVTYWPDFGDCLI-GOEBONIOSA-N 2 1 335.455 3.446 20 0 EGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000423167822 309389021 /nfs/dbraw/zinc/38/90/21/309389021.db2.gz XHJKULOGKFFXRZ-HOTGVXAUSA-N 2 1 330.451 3.412 20 0 EGADMP Fc1cc(Br)ccc1[C@@H]([NH2+]C1CC[NH2+]CC1)C1CC1 ZINC000423178418 309389419 /nfs/dbraw/zinc/38/94/19/309389419.db2.gz FYKLINUXGASMBW-HNNXBMFYSA-N 2 1 327.241 3.381 20 0 EGADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cnn1-c1cc(C)ccc1C ZINC000423211662 309390518 /nfs/dbraw/zinc/39/05/18/309390518.db2.gz LBKYRINQHDKPGH-FUHWJXTLSA-N 2 1 326.488 3.448 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC[C@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000423250919 309392361 /nfs/dbraw/zinc/39/23/61/309392361.db2.gz RFQDCRDANRWMGS-GBAJDQEWSA-N 3 1 341.543 3.266 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)s1 ZINC000423267542 309393239 /nfs/dbraw/zinc/39/32/39/309393239.db2.gz TXYNYHCHKSDLHH-IUODEOHRSA-N 2 1 325.522 3.199 20 0 EGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000423285697 309394211 /nfs/dbraw/zinc/39/42/11/309394211.db2.gz ZUYNFAQUFSSGIN-RISCZKNCSA-N 2 1 327.266 3.108 20 0 EGADMP [NH3+][C@@H](C[NH2+][C@H]1CCSc2ccc(Br)cc21)C1CC1 ZINC000423323289 309395125 /nfs/dbraw/zinc/39/51/25/309395125.db2.gz OVJCRATXSZNSKR-STQMWFEESA-N 2 1 327.291 3.313 20 0 EGADMP [NH3+]C1(C[NH2+][C@H]2CCSc3ccc(Br)cc32)CCC1 ZINC000423322908 309395166 /nfs/dbraw/zinc/39/51/66/309395166.db2.gz JESZSUNNDOSSEJ-LBPRGKRZSA-N 2 1 327.291 3.457 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc([C@H](C)[NH3+])cc2)c1 ZINC000423338891 309395993 /nfs/dbraw/zinc/39/59/93/309395993.db2.gz BADJHZCYYRCHAO-HNNXBMFYSA-N 2 1 325.456 3.088 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(N)ccc32)[C@H](C)C1 ZINC000423353334 309396538 /nfs/dbraw/zinc/39/65/38/309396538.db2.gz LSUNSBRZZDHBLA-TYCQWZJGSA-N 2 1 345.531 3.373 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000423355994 309396724 /nfs/dbraw/zinc/39/67/24/309396724.db2.gz GGWXSOXAPXZHDY-FTRWYGJKSA-N 2 1 337.467 3.272 20 0 EGADMP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423357609 309396791 /nfs/dbraw/zinc/39/67/91/309396791.db2.gz IQQOAZSAHIHTMY-UKRRQHHQSA-N 2 1 339.277 3.395 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000423359927 309397011 /nfs/dbraw/zinc/39/70/11/309397011.db2.gz LEEPSPHGEYAXRG-OWCLPIDISA-N 2 1 331.504 3.193 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3c(Br)cccc32)CC[NH2+]1 ZINC000423366335 309397264 /nfs/dbraw/zinc/39/72/64/309397264.db2.gz CLJLPDWAYFAYNC-LALPHHSUSA-N 2 1 339.277 3.393 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000423412558 309399020 /nfs/dbraw/zinc/39/90/20/309399020.db2.gz XDJCYYMHXVNCCK-IAGOWNOFSA-N 2 1 337.467 3.053 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000423412558 309399021 /nfs/dbraw/zinc/39/90/21/309399021.db2.gz XDJCYYMHXVNCCK-IAGOWNOFSA-N 2 1 337.467 3.053 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)[C@@H]1c1cccs1 ZINC000423426516 309399935 /nfs/dbraw/zinc/39/99/35/309399935.db2.gz PMAAFPBEDJPDKZ-OIISXLGYSA-N 2 1 349.544 3.025 20 0 EGADMP COC[C@@]1(C[NH2+][C@H](C)c2ccc(OC)c3ccccc32)CCC[NH2+]1 ZINC000423426179 309399970 /nfs/dbraw/zinc/39/99/70/309399970.db2.gz MYCKEYKGOLVKKN-QRWLVFNGSA-N 2 1 328.456 3.268 20 0 EGADMP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423444033 309400557 /nfs/dbraw/zinc/40/05/57/309400557.db2.gz WDTIUCAQYYDYJN-DGKAHZFQSA-N 2 1 339.302 3.039 20 0 EGADMP Fc1cccc(C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2cccc(F)c2)c1 ZINC000423494447 309403046 /nfs/dbraw/zinc/40/30/46/309403046.db2.gz SBLUFRBTRJLEMA-VQTJNVASSA-N 2 1 346.421 3.217 20 0 EGADMP c1cc2c(cc1C[NH2+]C1CC[NH+](C3CCC3)CC1)OCCCCO2 ZINC000449099331 310037021 /nfs/dbraw/zinc/03/70/21/310037021.db2.gz SSLRCYQZJKOGTP-UHFFFAOYSA-N 2 1 330.472 3.345 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](C)O[C@H]3C)CC2)cs1 ZINC000449151076 310040677 /nfs/dbraw/zinc/04/06/77/310040677.db2.gz VNKOUIVUFHAGSI-GRDNDAEWSA-N 2 1 337.533 3.073 20 0 EGADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000449165570 310041737 /nfs/dbraw/zinc/04/17/37/310041737.db2.gz AFDIPKHGHDJLEL-FCHUYYIVSA-N 2 1 338.495 3.010 20 0 EGADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000449165570 310041738 /nfs/dbraw/zinc/04/17/38/310041738.db2.gz AFDIPKHGHDJLEL-FCHUYYIVSA-N 2 1 338.495 3.010 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CCOC4(CCC4)C3)sc2C1 ZINC000449480894 310065543 /nfs/dbraw/zinc/06/55/43/310065543.db2.gz PQXZKSHLBLIQIH-OAHLLOKOSA-N 2 1 349.544 3.349 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CCOC4(CCC4)C3)sc2C1 ZINC000449480894 310065544 /nfs/dbraw/zinc/06/55/44/310065544.db2.gz PQXZKSHLBLIQIH-OAHLLOKOSA-N 2 1 349.544 3.349 20 0 EGADMP C[C@H]([NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449515181 310068602 /nfs/dbraw/zinc/06/86/02/310068602.db2.gz ZPQBMAUJPJXAAT-JJCGOBCMSA-N 2 1 342.527 3.284 20 0 EGADMP CCc1cc(N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)cc[nH+]1 ZINC000450235232 310110091 /nfs/dbraw/zinc/11/00/91/310110091.db2.gz WUKVXMUUFNNIGY-UHFFFAOYSA-N 2 1 325.456 3.365 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(CCCC(=O)c2ccc(F)cc2)C1 ZINC000450456833 310123708 /nfs/dbraw/zinc/12/37/08/310123708.db2.gz UNOKZFGHWFMNMY-QGZVFWFLSA-N 2 1 332.463 3.452 20 0 EGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450456833 310123709 /nfs/dbraw/zinc/12/37/09/310123709.db2.gz UNOKZFGHWFMNMY-QGZVFWFLSA-N 2 1 332.463 3.452 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450456833 310123710 /nfs/dbraw/zinc/12/37/10/310123710.db2.gz UNOKZFGHWFMNMY-QGZVFWFLSA-N 2 1 332.463 3.452 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450456833 310123711 /nfs/dbraw/zinc/12/37/11/310123711.db2.gz UNOKZFGHWFMNMY-QGZVFWFLSA-N 2 1 332.463 3.452 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450456833 310123712 /nfs/dbraw/zinc/12/37/12/310123712.db2.gz UNOKZFGHWFMNMY-QGZVFWFLSA-N 2 1 332.463 3.452 20 0 EGADMP CO[C@@H]1CC[N@@H+](C[C@@H](C)C[NH+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451568536 310186994 /nfs/dbraw/zinc/18/69/94/310186994.db2.gz RULGBCUDBHJUTK-NNZMDNLPSA-N 2 1 340.552 3.116 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451697901 310192854 /nfs/dbraw/zinc/19/28/54/310192854.db2.gz IVADLDQVYMISFM-YVWKXTFCSA-N 2 1 325.456 3.164 20 0 EGADMP C[N@@H+](C[C@H]1CN(Cc2ccccc2)CCCO1)[C@H](CO)CC(C)(C)C ZINC000451776552 310196718 /nfs/dbraw/zinc/19/67/18/310196718.db2.gz AOPWWNYMRDHHOY-PMACEKPBSA-N 2 1 348.531 3.006 20 0 EGADMP COCC[N@H+](CCn1cc[nH+]c1C)Cc1ccc(F)c(Cl)c1 ZINC000451988685 310206887 /nfs/dbraw/zinc/20/68/87/310206887.db2.gz ZUQFFQJINYJGIR-UHFFFAOYSA-N 2 1 325.815 3.133 20 0 EGADMP COCC[N@@H+](CCn1cc[nH+]c1C)Cc1ccc(F)c(Cl)c1 ZINC000451988685 310206888 /nfs/dbraw/zinc/20/68/88/310206888.db2.gz ZUQFFQJINYJGIR-UHFFFAOYSA-N 2 1 325.815 3.133 20 0 EGADMP CCC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000453058716 310254931 /nfs/dbraw/zinc/25/49/31/310254931.db2.gz LLLFVRWLIMHFFP-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP c1cnn(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000453062400 310255322 /nfs/dbraw/zinc/25/53/22/310255322.db2.gz DOYXNERHHNCYNY-PCCBWWKXSA-N 2 1 338.499 3.306 20 0 EGADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453070161 310255845 /nfs/dbraw/zinc/25/58/45/310255845.db2.gz MSBYHFVWGWJFAC-PLACYPQZSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453070161 310255846 /nfs/dbraw/zinc/25/58/46/310255846.db2.gz MSBYHFVWGWJFAC-PLACYPQZSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453070161 310255847 /nfs/dbraw/zinc/25/58/47/310255847.db2.gz MSBYHFVWGWJFAC-PLACYPQZSA-N 2 1 327.516 3.113 20 0 EGADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453070161 310255848 /nfs/dbraw/zinc/25/58/48/310255848.db2.gz MSBYHFVWGWJFAC-PLACYPQZSA-N 2 1 327.516 3.113 20 0 EGADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453070161 310255849 /nfs/dbraw/zinc/25/58/49/310255849.db2.gz MSBYHFVWGWJFAC-PLACYPQZSA-N 2 1 327.516 3.113 20 0 EGADMP OCCCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453106378 310258319 /nfs/dbraw/zinc/25/83/19/310258319.db2.gz YTLHQHNNIPOMLT-VAMGGRTRSA-N 2 1 348.556 3.135 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453107517 310258435 /nfs/dbraw/zinc/25/84/35/310258435.db2.gz LICKBTKQDCFJDT-BDTNDASRSA-N 3 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453107517 310258436 /nfs/dbraw/zinc/25/84/36/310258436.db2.gz LICKBTKQDCFJDT-BDTNDASRSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453184286 310262894 /nfs/dbraw/zinc/26/28/94/310262894.db2.gz UOFSWDDUMRKRCU-OYNPSCLESA-N 2 1 330.516 3.428 20 0 EGADMP OCC1(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000453335681 310271611 /nfs/dbraw/zinc/27/16/11/310271611.db2.gz IXRHTBKFTXHMPQ-PWRODBHTSA-N 2 1 342.527 3.429 20 0 EGADMP CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000453345476 310272128 /nfs/dbraw/zinc/27/21/28/310272128.db2.gz KAQYNRWPGZWFRD-HOTGVXAUSA-N 2 1 330.476 3.255 20 0 EGADMP C[C@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccc(OCC[NH+](C)C)cc1 ZINC000453349141 310272443 /nfs/dbraw/zinc/27/24/43/310272443.db2.gz JEURMLBAUZHZBD-AWEZNQCLSA-N 2 1 329.444 3.343 20 0 EGADMP C[N@@H+](CCCC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)C1CC1 ZINC000453397011 310274856 /nfs/dbraw/zinc/27/48/56/310274856.db2.gz JEDUNWMNXYZYQN-UHFFFAOYSA-N 2 1 347.522 3.297 20 0 EGADMP C[N@H+](CCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1 ZINC000453397011 310274857 /nfs/dbraw/zinc/27/48/57/310274857.db2.gz JEDUNWMNXYZYQN-UHFFFAOYSA-N 3 1 347.522 3.297 20 0 EGADMP C[N@@H+](CCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1 ZINC000453397011 310274858 /nfs/dbraw/zinc/27/48/58/310274858.db2.gz JEDUNWMNXYZYQN-UHFFFAOYSA-N 3 1 347.522 3.297 20 0 EGADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000453404392 310275234 /nfs/dbraw/zinc/27/52/34/310275234.db2.gz RPJMLRIIZPOLKK-UHFFFAOYSA-N 2 1 341.499 3.283 20 0 EGADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000453404392 310275235 /nfs/dbraw/zinc/27/52/35/310275235.db2.gz RPJMLRIIZPOLKK-UHFFFAOYSA-N 2 1 341.499 3.283 20 0 EGADMP Cc1c([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)nnn1-c1ccc(F)cc1 ZINC000453418499 310275954 /nfs/dbraw/zinc/27/59/54/310275954.db2.gz YFVQPWBTNSCEBF-AWEZNQCLSA-N 2 1 345.466 3.240 20 0 EGADMP C[N@@H+](CCCC[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F)C1CC1 ZINC000453592452 310283281 /nfs/dbraw/zinc/28/32/81/310283281.db2.gz FGOMGSDKOXQEFP-UHFFFAOYSA-N 2 1 334.414 3.319 20 0 EGADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455843969 310379217 /nfs/dbraw/zinc/37/92/17/310379217.db2.gz GUVFTHYDCNJTMI-PKOBYXMFSA-N 2 1 344.503 3.184 20 0 EGADMP CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C12CCC2 ZINC000459773816 310574381 /nfs/dbraw/zinc/57/43/81/310574381.db2.gz IWUMCXMUHZQNNJ-UXHICEINSA-N 2 1 346.490 3.380 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1C ZINC000482144553 310927186 /nfs/dbraw/zinc/92/71/86/310927186.db2.gz MHKNAMARBCSXLL-PKOBYXMFSA-N 2 1 331.504 3.424 20 0 EGADMP C(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)CCOC1CCCCC1 ZINC000484805975 310970550 /nfs/dbraw/zinc/97/05/50/310970550.db2.gz LPPHDJWLTPSKJW-ZCNNSNEGSA-N 2 1 338.536 3.253 20 0 EGADMP C[C@H](NC(=O)CC[N@H+]1CCCC[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000487205970 311015832 /nfs/dbraw/zinc/01/58/32/311015832.db2.gz WFGCMXSJWWVMQX-FUHIMQAGSA-N 2 1 331.504 3.059 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000492213508 311227011 /nfs/dbraw/zinc/22/70/11/311227011.db2.gz BMPWYXPTJSXTEO-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000494695845 311504735 /nfs/dbraw/zinc/50/47/35/311504735.db2.gz YMYGLVJGLBANJW-ILXRZTDVSA-N 2 1 338.496 3.109 20 0 EGADMP CC[C@@H](C[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C)[NH+]1CCCC1 ZINC000502256806 311961468 /nfs/dbraw/zinc/96/14/68/311961468.db2.gz ZSQXVQNYTZMBPI-AEFFLSMTSA-N 2 1 334.504 3.407 20 0 EGADMP CCC(CC)NC(=O)[C@H](C)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506471591 312049683 /nfs/dbraw/zinc/04/96/83/312049683.db2.gz DNLBNVWEGLOVRO-SQNIBIBYSA-N 2 1 337.552 3.266 20 0 EGADMP C[NH+](C)C1(CNC2CC[NH+](CCC(F)(F)F)CC2)CCCCC1 ZINC000507504684 312075663 /nfs/dbraw/zinc/07/56/63/312075663.db2.gz CAXGWAMTASZWNC-UHFFFAOYSA-N 2 1 335.458 3.257 20 0 EGADMP CCC(O)(CC)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512636684 312190886 /nfs/dbraw/zinc/19/08/86/312190886.db2.gz NFLHYYCYTNVKQC-SLFFLAALSA-N 2 1 330.516 3.428 20 0 EGADMP CC[C@H](O)CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512656348 312191629 /nfs/dbraw/zinc/19/16/29/312191629.db2.gz ZGJYQGNZJOMBIE-UWHLTILDSA-N 2 1 330.516 3.428 20 0 EGADMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)cc(C(F)(F)F)c1 ZINC000527641027 312895286 /nfs/dbraw/zinc/89/52/86/312895286.db2.gz JVOWKBIFHYFULS-UHFFFAOYSA-N 2 1 327.350 3.399 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528729658 313157530 /nfs/dbraw/zinc/15/75/30/313157530.db2.gz NCUNBYMUARFKJJ-HXUWFJFHSA-N 2 1 325.456 3.213 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528729658 313157533 /nfs/dbraw/zinc/15/75/33/313157533.db2.gz NCUNBYMUARFKJJ-HXUWFJFHSA-N 2 1 325.456 3.213 20 0 EGADMP COc1cc2c(cc1CN(C)CC[C@@H]1CCCC[N@H+]1C)O[C@H](C)C2 ZINC000536678533 314138208 /nfs/dbraw/zinc/13/82/08/314138208.db2.gz CALXDVHZJXOMJC-QAPCUYQASA-N 2 1 332.488 3.325 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2c(C)cccc2C)[C@@H](C)C1 ZINC000536876399 314151445 /nfs/dbraw/zinc/15/14/45/314151445.db2.gz KXYVSPIHPKCPDN-PMACEKPBSA-N 2 1 348.531 3.409 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)[C@@H](C)C1 ZINC000537478710 314183950 /nfs/dbraw/zinc/18/39/50/314183950.db2.gz ZWHYTSKPDCFCRR-YRPNKDGESA-N 2 1 340.552 3.307 20 0 EGADMP CC(C)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000537992212 314222138 /nfs/dbraw/zinc/22/21/38/314222138.db2.gz ZPPRDXPHCNKQRM-OSZJIOELSA-N 2 1 343.559 3.388 20 0 EGADMP CC(C)[C@H](CN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000537992212 314222142 /nfs/dbraw/zinc/22/21/42/314222142.db2.gz ZPPRDXPHCNKQRM-OSZJIOELSA-N 2 1 343.559 3.388 20 0 EGADMP CC(C)[C@H](CN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000537992212 314222147 /nfs/dbraw/zinc/22/21/47/314222147.db2.gz ZPPRDXPHCNKQRM-OSZJIOELSA-N 2 1 343.559 3.388 20 0 EGADMP CC(C)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000537992212 314222154 /nfs/dbraw/zinc/22/21/54/314222154.db2.gz ZPPRDXPHCNKQRM-OSZJIOELSA-N 2 1 343.559 3.388 20 0 EGADMP CCCc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000538691550 314265610 /nfs/dbraw/zinc/26/56/10/314265610.db2.gz FUZUBMMOAUVRPS-NRFANRHFSA-N 2 1 329.532 3.239 20 0 EGADMP CO[C@H](C)[C@H](C)[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000539295222 314304729 /nfs/dbraw/zinc/30/47/29/314304729.db2.gz LWZDVWZKLLHOLB-ZSYWTGECSA-N 2 1 348.531 3.209 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOC2CCCCC2)[C@@H](C)C1 ZINC000540175463 314367636 /nfs/dbraw/zinc/36/76/36/314367636.db2.gz IXVMCCRZIYJSIP-HKUYNNGSSA-N 2 1 326.525 3.062 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(F)c2F)[C@@H](C)C1 ZINC000540177313 314367981 /nfs/dbraw/zinc/36/79/81/314367981.db2.gz CTIZQRASMSZVQF-MAUKXSAKSA-N 2 1 340.458 3.234 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC34CCOCC4)C2)cc1 ZINC000548860827 315056132 /nfs/dbraw/zinc/05/61/32/315056132.db2.gz WOGDEBOUGYUFFG-WOJBJXKFSA-N 2 1 328.500 3.100 20 0 EGADMP CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552247138 315208699 /nfs/dbraw/zinc/20/86/99/315208699.db2.gz CPDWZCCXRUYCSZ-UWHLTILDSA-N 2 1 330.516 3.428 20 0 EGADMP O[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000554390634 315314986 /nfs/dbraw/zinc/31/49/86/315314986.db2.gz MHIPBWDXQYJJNM-SRHPJPHMSA-N 2 1 328.500 3.180 20 0 EGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000563349817 316003484 /nfs/dbraw/zinc/00/34/84/316003484.db2.gz KCLCCODZHMCRSA-JSGCOSHPSA-N 2 1 338.377 3.203 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[NH2+]Cc4ccccc43)c2C1 ZINC000564730497 316196577 /nfs/dbraw/zinc/19/65/77/316196577.db2.gz MIOIKCVXMOMWCA-SFHVURJKSA-N 2 1 335.451 3.238 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3C[NH2+]Cc4ccccc43)c2C1 ZINC000564730497 316196581 /nfs/dbraw/zinc/19/65/81/316196581.db2.gz MIOIKCVXMOMWCA-SFHVURJKSA-N 2 1 335.451 3.238 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@](C)(CC)C3)CC2)CC1 ZINC000570538298 317071564 /nfs/dbraw/zinc/07/15/64/317071564.db2.gz ASAOKDIHGRRSEC-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000570642518 317086488 /nfs/dbraw/zinc/08/64/88/317086488.db2.gz VMLMYQFQSDTQBG-KMFMINBZSA-N 2 1 344.421 3.244 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@](C)(Cc1ccccc1)c1ccccc1 ZINC000571341796 317185522 /nfs/dbraw/zinc/18/55/22/317185522.db2.gz PYNTYDUULUAXMW-NHCUHLMSSA-N 2 1 326.484 3.047 20 0 EGADMP Cc1ccc2[nH]c(C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)nc2c1 ZINC000571753122 317242019 /nfs/dbraw/zinc/24/20/19/317242019.db2.gz ZTCZHJVDNRIICK-GHTZIAJQSA-N 2 1 348.450 3.217 20 0 EGADMP Cc1cccc(C)c1OC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000572325458 317321478 /nfs/dbraw/zinc/32/14/78/317321478.db2.gz FLGWIMZJDOPFEK-MOPGFXCFSA-N 2 1 348.531 3.142 20 0 EGADMP Cc1cccc(C)c1OC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000572325458 317321480 /nfs/dbraw/zinc/32/14/80/317321480.db2.gz FLGWIMZJDOPFEK-MOPGFXCFSA-N 2 1 348.531 3.142 20 0 EGADMP Fc1cc(Br)cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000574206547 317572478 /nfs/dbraw/zinc/57/24/78/317572478.db2.gz XMTRKIDBEVKWDF-AWEZNQCLSA-N 2 1 341.268 3.410 20 0 EGADMP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCCC2)cnn1-c1ccc(F)cc1 ZINC000178414927 323356911 /nfs/dbraw/zinc/35/69/11/323356911.db2.gz WCAQUHSDUJMHIC-HNNXBMFYSA-N 2 1 330.451 3.456 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379680651 324242257 /nfs/dbraw/zinc/24/22/57/324242257.db2.gz NJLUXDYFLMEBQJ-SJLPKXTDSA-N 2 1 333.520 3.037 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000382749198 324252560 /nfs/dbraw/zinc/25/25/60/324252560.db2.gz YOFLFDQSTYTUQL-HOJAQTOUSA-N 2 1 343.515 3.017 20 0 EGADMP O[C@H](CC1CCCC1)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000385898993 324264546 /nfs/dbraw/zinc/26/45/46/324264546.db2.gz FSDCTNPMLNAVAV-BHDDXSALSA-N 2 1 342.527 3.382 20 0 EGADMP O[C@H](CC1CCCC1)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000385898993 324264549 /nfs/dbraw/zinc/26/45/49/324264549.db2.gz FSDCTNPMLNAVAV-BHDDXSALSA-N 2 1 342.527 3.382 20 0 EGADMP O[C@H](CC1CCCC1)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000385898993 324264553 /nfs/dbraw/zinc/26/45/53/324264553.db2.gz FSDCTNPMLNAVAV-BHDDXSALSA-N 2 1 342.527 3.382 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398010113 324294485 /nfs/dbraw/zinc/29/44/85/324294485.db2.gz RZPODAWBUMBJMZ-NZSAHSFTSA-N 2 1 345.531 3.037 20 0 EGADMP Cc1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000417948344 324302559 /nfs/dbraw/zinc/30/25/59/324302559.db2.gz HOTVJNUYWCCDRD-PKOBYXMFSA-N 2 1 326.488 3.119 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000578763868 325015862 /nfs/dbraw/zinc/01/58/62/325015862.db2.gz PEVVDAGLESNBHO-HKUYNNGSSA-N 2 1 331.504 3.095 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cncc(OCc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000579100409 325062356 /nfs/dbraw/zinc/06/23/56/325062356.db2.gz YFHDIRQISPANNL-LPHOPBHVSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000579100409 325062360 /nfs/dbraw/zinc/06/23/60/325062360.db2.gz YFHDIRQISPANNL-LPHOPBHVSA-N 2 1 325.456 3.077 20 0 EGADMP Cc1cc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)on1 ZINC000580193647 325215866 /nfs/dbraw/zinc/21/58/66/325215866.db2.gz MVLZHLIHDJXJPM-SFHVURJKSA-N 2 1 325.456 3.312 20 0 EGADMP Cc1cc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)on1 ZINC000580193647 325215868 /nfs/dbraw/zinc/21/58/68/325215868.db2.gz MVLZHLIHDJXJPM-SFHVURJKSA-N 2 1 325.456 3.312 20 0 EGADMP Cc1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n1C ZINC000581440384 325362070 /nfs/dbraw/zinc/36/20/70/325362070.db2.gz FSTWFOFHMQQWDU-MRXNPFEDSA-N 2 1 326.488 3.250 20 0 EGADMP C[C@@H]([NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CC(C)C2)CCCC1)c1ccccc1 ZINC000581616454 325377098 /nfs/dbraw/zinc/37/70/98/325377098.db2.gz NBFBLNZQFGSVSO-QZTJIDSGSA-N 2 1 343.515 3.106 20 0 EGADMP Cc1ccc2cc([C@H](C)[NH2+]CCCCN3CC[NH+](C)CC3)oc2c1 ZINC000581643508 325378183 /nfs/dbraw/zinc/37/81/83/325378183.db2.gz BYNUURJGAYBNDB-KRWDZBQOSA-N 2 1 329.488 3.419 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cncc(Br)c1 ZINC000583392994 325520462 /nfs/dbraw/zinc/52/04/62/325520462.db2.gz WAEXOMNCJUGNHR-LBPRGKRZSA-N 2 1 338.293 3.369 20 0 EGADMP C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000583617010 325538379 /nfs/dbraw/zinc/53/83/79/325538379.db2.gz JBUFODLFZLJABX-GXTWGEPZSA-N 2 1 332.473 3.323 20 0 EGADMP Cc1nn(C)c2ncc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc12 ZINC000583906439 325560858 /nfs/dbraw/zinc/56/08/58/325560858.db2.gz SLUZOWKIBLETJD-UHFFFAOYSA-N 2 1 341.503 3.163 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(C(F)(F)F)CCC2)[C@@H](C)C1 ZINC000353960165 456980586 /nfs/dbraw/zinc/98/05/86/456980586.db2.gz UORRXGMUHXICGW-GJZGRUSLSA-N 2 1 336.442 3.446 20 0 EGADMP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000430940757 458508896 /nfs/dbraw/zinc/50/88/96/458508896.db2.gz QYAUFEHVYMXXDF-QWRGUYRKSA-N 2 1 344.286 3.380 20 0 EGADMP C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1 ZINC000174344250 533716368 /nfs/dbraw/zinc/71/63/68/533716368.db2.gz ISDMWODFKGHLJF-PKOBYXMFSA-N 2 1 346.515 3.454 20 0 EGADMP OCCCCCC[NH2+][C@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000183156893 455241150 /nfs/dbraw/zinc/24/11/50/455241150.db2.gz YIPJPIDFGNKIBG-NJYVYQBISA-N 2 1 330.516 3.429 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cncc(Br)c2)CC1 ZINC000157861154 455241568 /nfs/dbraw/zinc/24/15/68/455241568.db2.gz FUEMFMGKADDOAU-UHFFFAOYSA-N 2 1 326.282 3.197 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000157913046 455247800 /nfs/dbraw/zinc/24/78/00/455247800.db2.gz MSBRHDLVXFTVLV-HNNXBMFYSA-N 2 1 335.458 3.115 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)NC(C)(C)CC ZINC000482130792 459291844 /nfs/dbraw/zinc/29/18/44/459291844.db2.gz WDNAYGURHKBLAB-IKGGRYGDSA-N 2 1 325.541 3.170 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ncc(C)s2)CC1 ZINC000180850454 455255115 /nfs/dbraw/zinc/25/51/15/455255115.db2.gz PTAFHQMLWFBTHN-UHFFFAOYSA-N 2 1 325.522 3.022 20 0 EGADMP COc1cccc(-c2nc(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])co2)c1 ZINC000631829246 460575093 /nfs/dbraw/zinc/57/50/93/460575093.db2.gz LNQUZDVUXVQMKL-KBXCAEBGSA-N 2 1 329.444 3.300 20 0 EGADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])co2)c1 ZINC000631829246 460575098 /nfs/dbraw/zinc/57/50/98/460575098.db2.gz LNQUZDVUXVQMKL-KBXCAEBGSA-N 2 1 329.444 3.300 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000066960817 453890026 /nfs/dbraw/zinc/89/00/26/453890026.db2.gz YXLYSRIEDKHGHF-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000067507205 453936296 /nfs/dbraw/zinc/93/62/96/453936296.db2.gz PGJGGXGPXVGQNA-HXUWFJFHSA-N 2 1 340.515 3.368 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000067507205 453936299 /nfs/dbraw/zinc/93/62/99/453936299.db2.gz PGJGGXGPXVGQNA-HXUWFJFHSA-N 2 1 340.515 3.368 20 0 EGADMP CCC1(CC)[C@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C[C@@H]1OC ZINC000181863057 455391225 /nfs/dbraw/zinc/39/12/25/455391225.db2.gz UMWPASKJDXFLTH-MSOLQXFVSA-N 2 1 346.519 3.246 20 0 EGADMP CN(C)C(=O)Sc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000084076431 453967806 /nfs/dbraw/zinc/96/78/06/453967806.db2.gz MSIZTKZAGQUFSF-INIZCTEOSA-N 2 1 335.517 3.234 20 0 EGADMP CN(C)C(=O)Sc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000084076431 453967807 /nfs/dbraw/zinc/96/78/07/453967807.db2.gz MSIZTKZAGQUFSF-INIZCTEOSA-N 2 1 335.517 3.234 20 0 EGADMP CN(C)C(=O)Sc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000084076431 453967809 /nfs/dbraw/zinc/96/78/09/453967809.db2.gz MSIZTKZAGQUFSF-INIZCTEOSA-N 2 1 335.517 3.234 20 0 EGADMP CN(C)C(=O)Sc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000084076431 453967812 /nfs/dbraw/zinc/96/78/12/453967812.db2.gz MSIZTKZAGQUFSF-INIZCTEOSA-N 2 1 335.517 3.234 20 0 EGADMP Cc1csc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000088603760 454115143 /nfs/dbraw/zinc/11/51/43/454115143.db2.gz SWORNBZPARBNSZ-HZPDHXFCSA-N 2 1 337.533 3.163 20 0 EGADMP C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000088699589 454117218 /nfs/dbraw/zinc/11/72/18/454117218.db2.gz WIVFCZVNKBJPKA-LAUBAEHRSA-N 2 1 346.515 3.454 20 0 EGADMP CN(CC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1)C(=O)OC(C)(C)C ZINC000089427474 454148097 /nfs/dbraw/zinc/14/80/97/454148097.db2.gz IYZBYOARULVHHZ-QGZVFWFLSA-N 2 1 339.524 3.050 20 0 EGADMP FC(F)(F)c1ccccc1OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089552071 454161671 /nfs/dbraw/zinc/16/16/71/454161671.db2.gz ZQZINUYHKGCGTQ-ZIAGYGMSSA-N 2 1 328.378 3.301 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000089555888 454161900 /nfs/dbraw/zinc/16/19/00/454161900.db2.gz HUCJLJIOSFUTQB-CZUORRHYSA-N 2 1 348.878 3.252 20 0 EGADMP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000131552225 454263603 /nfs/dbraw/zinc/26/36/03/454263603.db2.gz XOQKHJAJEDTLED-QGZVFWFLSA-N 2 1 341.430 3.135 20 0 EGADMP Brc1cccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000131869238 454292636 /nfs/dbraw/zinc/29/26/36/454292636.db2.gz IBZXQCNFRYHZBH-MRXNPFEDSA-N 2 1 333.229 3.497 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2Oc2cccc(C)c2)CC1 ZINC000090580457 454324217 /nfs/dbraw/zinc/32/42/17/454324217.db2.gz VCHORCSXUZDIFS-NHCUHLMSSA-N 2 1 346.515 3.385 20 0 EGADMP COc1cccc2c(N3CC[NH+](Cc4cccnc4)CC3)cc(C)nc12 ZINC000120768128 454343691 /nfs/dbraw/zinc/34/36/91/454343691.db2.gz PLUKATMCVPZXOI-UHFFFAOYSA-N 2 1 348.450 3.269 20 0 EGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCC3CCCC3)CC2)CC1 ZINC000120778942 454346532 /nfs/dbraw/zinc/34/65/32/454346532.db2.gz VGOZVCXTLZYCCB-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP Cc1ccc([C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000062361262 454375520 /nfs/dbraw/zinc/37/55/20/454375520.db2.gz WQONPSALZINUNV-PMACEKPBSA-N 2 1 339.483 3.017 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000062426900 454376649 /nfs/dbraw/zinc/37/66/49/454376649.db2.gz ACHRZTNHMKKMFS-OAHLLOKOSA-N 2 1 330.394 3.448 20 0 EGADMP CCC(CC)[C@H](CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)[NH+](C)C ZINC000133146469 454396936 /nfs/dbraw/zinc/39/69/36/454396936.db2.gz KLXSRHYJIFKITM-WMQCIHAUSA-N 2 1 346.563 3.248 20 0 EGADMP CCC(CC)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)[NH+](C)C ZINC000133146469 454396940 /nfs/dbraw/zinc/39/69/40/454396940.db2.gz KLXSRHYJIFKITM-WMQCIHAUSA-N 2 1 346.563 3.248 20 0 EGADMP C[C@H](NCC[N@@H+](C)C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000133228309 454403713 /nfs/dbraw/zinc/40/37/13/454403713.db2.gz YAURBSKPPDLVHB-KRWDZBQOSA-N 2 1 333.520 3.152 20 0 EGADMP C[C@H]([NH2+]CCN(C)C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000133228309 454403717 /nfs/dbraw/zinc/40/37/17/454403717.db2.gz YAURBSKPPDLVHB-KRWDZBQOSA-N 2 1 333.520 3.152 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000091306408 454424442 /nfs/dbraw/zinc/42/44/42/454424442.db2.gz UVBPBLMLDMZEDG-SJORKVTESA-N 2 1 344.421 3.449 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)c1 ZINC000101652938 454479068 /nfs/dbraw/zinc/47/90/68/454479068.db2.gz LTPNDMLAGPPHEP-BBWFWOEESA-N 2 1 331.504 3.016 20 0 EGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000101652938 454479072 /nfs/dbraw/zinc/47/90/72/454479072.db2.gz LTPNDMLAGPPHEP-BBWFWOEESA-N 2 1 331.504 3.016 20 0 EGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000101652938 454479078 /nfs/dbraw/zinc/47/90/78/454479078.db2.gz LTPNDMLAGPPHEP-BBWFWOEESA-N 2 1 331.504 3.016 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000122350457 454526111 /nfs/dbraw/zinc/52/61/11/454526111.db2.gz KKJMRQZIUZATRW-ZACQAIPSSA-N 2 1 339.524 3.142 20 0 EGADMP CC(C)c1ccc(CC[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000122496292 454539283 /nfs/dbraw/zinc/53/92/83/454539283.db2.gz IRHYIPFFHIEMKD-UHFFFAOYSA-N 2 1 331.548 3.216 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000122546720 454544841 /nfs/dbraw/zinc/54/48/41/454544841.db2.gz ZZIYZULOJWWSSK-HOTGVXAUSA-N 2 1 336.480 3.007 20 0 EGADMP COc1ccccc1OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134865823 454599943 /nfs/dbraw/zinc/59/99/43/454599943.db2.gz JFFYCELLAHWKTC-AEFFLSMTSA-N 2 1 330.472 3.023 20 0 EGADMP COc1ccccc1OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134865823 454599950 /nfs/dbraw/zinc/59/99/50/454599950.db2.gz JFFYCELLAHWKTC-AEFFLSMTSA-N 2 1 330.472 3.023 20 0 EGADMP COc1ccccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134865823 454599955 /nfs/dbraw/zinc/59/99/55/454599955.db2.gz JFFYCELLAHWKTC-AEFFLSMTSA-N 2 1 330.472 3.023 20 0 EGADMP COc1ccccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134865823 454599961 /nfs/dbraw/zinc/59/99/61/454599961.db2.gz JFFYCELLAHWKTC-AEFFLSMTSA-N 2 1 330.472 3.023 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000092665338 454605598 /nfs/dbraw/zinc/60/55/98/454605598.db2.gz MMEFBOUSLZOUSX-YUVXSKOASA-N 2 1 341.543 3.281 20 0 EGADMP COc1ccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134939670 454614493 /nfs/dbraw/zinc/61/44/93/454614493.db2.gz BIGIPANUCLNFQE-UZLBHIALSA-N 2 1 330.472 3.023 20 0 EGADMP COc1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134939670 454614496 /nfs/dbraw/zinc/61/44/96/454614496.db2.gz BIGIPANUCLNFQE-UZLBHIALSA-N 2 1 330.472 3.023 20 0 EGADMP COc1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134939670 454614500 /nfs/dbraw/zinc/61/45/00/454614500.db2.gz BIGIPANUCLNFQE-UZLBHIALSA-N 2 1 330.472 3.023 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000066047346 454654554 /nfs/dbraw/zinc/65/45/54/454654554.db2.gz NWPFIBGWELDUNI-HNJRGHQBSA-N 2 1 343.515 3.153 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000066047346 454654558 /nfs/dbraw/zinc/65/45/58/454654558.db2.gz NWPFIBGWELDUNI-HNJRGHQBSA-N 2 1 343.515 3.153 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(CC)c2ccccc2)CC1 ZINC000052209613 454661274 /nfs/dbraw/zinc/66/12/74/454661274.db2.gz NOFPHQYGCHOORV-UHFFFAOYSA-N 2 1 345.531 3.483 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000124155952 454702246 /nfs/dbraw/zinc/70/22/46/454702246.db2.gz VEOWIOOWMXTWAR-UHFFFAOYSA-N 2 1 331.504 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000124303082 454715954 /nfs/dbraw/zinc/71/59/54/454715954.db2.gz PDWCCQDIKYQSAK-IBGZPJMESA-N 2 1 331.504 3.017 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000124303082 454715955 /nfs/dbraw/zinc/71/59/55/454715955.db2.gz PDWCCQDIKYQSAK-IBGZPJMESA-N 2 1 331.504 3.017 20 0 EGADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1F ZINC000124460747 454736426 /nfs/dbraw/zinc/73/64/26/454736426.db2.gz JFULBTONJIFPEF-LJQANCHMSA-N 2 1 339.474 3.279 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2ccccc21 ZINC000124487894 454739579 /nfs/dbraw/zinc/73/95/79/454739579.db2.gz XXPVMCGWWGOBJW-UTKZUKDTSA-N 2 1 329.532 3.488 20 0 EGADMP CN(c1ccccc1C[N@H+](C)Cc1ccco1)C1CC[NH+](C)CC1 ZINC000162163157 454755822 /nfs/dbraw/zinc/75/58/22/454755822.db2.gz ZWYGNYLBIBMFMH-UHFFFAOYSA-N 2 1 327.472 3.442 20 0 EGADMP CN(c1ccccc1C[N@@H+](C)Cc1ccco1)C1CC[NH+](C)CC1 ZINC000162163157 454755825 /nfs/dbraw/zinc/75/58/25/454755825.db2.gz ZWYGNYLBIBMFMH-UHFFFAOYSA-N 2 1 327.472 3.442 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000162189352 454757338 /nfs/dbraw/zinc/75/73/38/454757338.db2.gz HFEKYEPDIMSIFD-ABAIWWIYSA-N 2 1 329.257 3.061 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]4OCC[C@@H]43)CC2)cc1 ZINC000124937457 454783941 /nfs/dbraw/zinc/78/39/41/454783941.db2.gz CSIGOTOCEVAZIM-NJYVYQBISA-N 2 1 346.490 3.380 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(OCC)cc2)C1 ZINC000137736520 454784670 /nfs/dbraw/zinc/78/46/70/454784670.db2.gz OLPXHCIOGAWOHR-KRWDZBQOSA-N 2 1 347.503 3.078 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(OCC)cc2)C1 ZINC000137736520 454784673 /nfs/dbraw/zinc/78/46/73/454784673.db2.gz OLPXHCIOGAWOHR-KRWDZBQOSA-N 2 1 347.503 3.078 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000162769047 454799244 /nfs/dbraw/zinc/79/92/44/454799244.db2.gz PABPFJVDEMKVHR-SFHVURJKSA-N 2 1 349.482 3.440 20 0 EGADMP COc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125270641 454809813 /nfs/dbraw/zinc/80/98/13/454809813.db2.gz BTHNFCYBDXLXQW-GLQYFDAESA-N 2 1 339.277 3.017 20 0 EGADMP COc1ccc(Br)cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125270641 454809814 /nfs/dbraw/zinc/80/98/14/454809814.db2.gz BTHNFCYBDXLXQW-GLQYFDAESA-N 2 1 339.277 3.017 20 0 EGADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000153599648 454810875 /nfs/dbraw/zinc/81/08/75/454810875.db2.gz RVPLUHPVOJCVOV-FXAWDEMLSA-N 2 1 329.532 3.407 20 0 EGADMP CC[N@H+]1CC[C@H](NCC2([NH+]3CCSCC3)CCCCC2)[C@H](C)C1 ZINC000163031355 454818470 /nfs/dbraw/zinc/81/84/70/454818470.db2.gz GKOABNYTRJIBHR-MSOLQXFVSA-N 2 1 339.593 3.058 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)[C@H](C)C1 ZINC000163031355 454818472 /nfs/dbraw/zinc/81/84/72/454818472.db2.gz GKOABNYTRJIBHR-MSOLQXFVSA-N 2 1 339.593 3.058 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)[C@H](C)C1 ZINC000163031355 454818476 /nfs/dbraw/zinc/81/84/76/454818476.db2.gz GKOABNYTRJIBHR-MSOLQXFVSA-N 2 1 339.593 3.058 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000163457209 454848882 /nfs/dbraw/zinc/84/88/82/454848882.db2.gz MSHSSNRPVDTJBF-INIZCTEOSA-N 2 1 329.488 3.389 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCOC[C@H]2CCCO2)cc1 ZINC000163501650 454852023 /nfs/dbraw/zinc/85/20/23/454852023.db2.gz GFLKAXKPYHHAMG-OXJNMPFZSA-N 2 1 343.471 3.417 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000153982599 454853697 /nfs/dbraw/zinc/85/36/97/454853697.db2.gz SZUKNCCRXVAHOE-WOPDUGCTSA-N 2 1 327.516 3.190 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NCCNc1cccc(C)[nH+]1)c1ccccc1 ZINC000126190692 454877188 /nfs/dbraw/zinc/87/71/88/454877188.db2.gz GFGLZLAETMECHE-IBGZPJMESA-N 2 1 340.471 3.001 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC000126215777 454878586 /nfs/dbraw/zinc/87/85/86/454878586.db2.gz AVNRHOFPSRLJCO-CRAIPNDOSA-N 2 1 332.488 3.462 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC000126215777 454878590 /nfs/dbraw/zinc/87/85/90/454878590.db2.gz AVNRHOFPSRLJCO-CRAIPNDOSA-N 2 1 332.488 3.462 20 0 EGADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177677217 454891028 /nfs/dbraw/zinc/89/10/28/454891028.db2.gz DYYQFXYFQLONBR-LJQANCHMSA-N 2 1 343.515 3.019 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126651089 454908587 /nfs/dbraw/zinc/90/85/87/454908587.db2.gz MYZFVNPXSOEYEV-VQTJNVASSA-N 2 1 338.499 3.265 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126651089 454908590 /nfs/dbraw/zinc/90/85/90/454908590.db2.gz MYZFVNPXSOEYEV-VQTJNVASSA-N 2 1 338.499 3.265 20 0 EGADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c(OCC(F)(F)F)c1 ZINC000167303103 454919548 /nfs/dbraw/zinc/91/95/48/454919548.db2.gz GNJPZGKJDYTBDO-ZFWWWQNUSA-N 2 1 330.394 3.366 20 0 EGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c(OCC(F)(F)F)c1 ZINC000167303103 454919553 /nfs/dbraw/zinc/91/95/53/454919553.db2.gz GNJPZGKJDYTBDO-ZFWWWQNUSA-N 2 1 330.394 3.366 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000151108620 454938881 /nfs/dbraw/zinc/93/88/81/454938881.db2.gz LYHHFDDUNZLEMJ-ZWKOTPCHSA-N 3 1 333.520 3.010 20 0 EGADMP CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000151108620 454938884 /nfs/dbraw/zinc/93/88/84/454938884.db2.gz LYHHFDDUNZLEMJ-ZWKOTPCHSA-N 2 1 333.520 3.010 20 0 EGADMP CCC[N@H+]1CC[C@H](CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000151108620 454938887 /nfs/dbraw/zinc/93/88/87/454938887.db2.gz LYHHFDDUNZLEMJ-ZWKOTPCHSA-N 2 1 333.520 3.010 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+](Cc2ccc(F)cc2)CC2CC2)CC1 ZINC000170607433 454940110 /nfs/dbraw/zinc/94/01/10/454940110.db2.gz CUIMTDNHKZWYQL-UHFFFAOYSA-N 2 1 347.522 3.454 20 0 EGADMP CCSc1ccccc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000128033930 455020182 /nfs/dbraw/zinc/02/01/82/455020182.db2.gz IDXIGJFKEQPUOB-HOTGVXAUSA-N 2 1 349.544 3.037 20 0 EGADMP CCSc1ccccc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000128033930 455020185 /nfs/dbraw/zinc/02/01/85/455020185.db2.gz IDXIGJFKEQPUOB-HOTGVXAUSA-N 2 1 349.544 3.037 20 0 EGADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(F)ccc1F ZINC000128306385 455044288 /nfs/dbraw/zinc/04/42/88/455044288.db2.gz QIRDFRLUQDQDRH-SFHVURJKSA-N 2 1 325.447 3.033 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000116308471 455051697 /nfs/dbraw/zinc/05/16/97/455051697.db2.gz OKKZVQIHDSJMQF-KRWDZBQOSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](CCCN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000155840018 455052467 /nfs/dbraw/zinc/05/24/67/455052467.db2.gz ZRDFPYZBBPCXBP-CTNGQTDRSA-N 2 1 346.563 3.391 20 0 EGADMP CC(C)[NH+](CCCN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000155840018 455052470 /nfs/dbraw/zinc/05/24/70/455052470.db2.gz ZRDFPYZBBPCXBP-CTNGQTDRSA-N 2 1 346.563 3.391 20 0 EGADMP C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000118842472 455113827 /nfs/dbraw/zinc/11/38/27/455113827.db2.gz KZKDDPRLFWSEKM-HNNXBMFYSA-N 2 1 330.394 3.401 20 0 EGADMP C[N@H+](Cc1cccc(OCC(F)(F)F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000118842472 455113831 /nfs/dbraw/zinc/11/38/31/455113831.db2.gz KZKDDPRLFWSEKM-HNNXBMFYSA-N 2 1 330.394 3.401 20 0 EGADMP C[NH+](Cc1cccc(OCC(F)(F)F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000118842472 455113836 /nfs/dbraw/zinc/11/38/36/455113836.db2.gz KZKDDPRLFWSEKM-HNNXBMFYSA-N 2 1 330.394 3.401 20 0 EGADMP C[NH+](Cc1cccc(OCC(F)(F)F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842472 455113839 /nfs/dbraw/zinc/11/38/39/455113839.db2.gz KZKDDPRLFWSEKM-HNNXBMFYSA-N 2 1 330.394 3.401 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(COCC)c2)C1 ZINC000180003182 455113872 /nfs/dbraw/zinc/11/38/72/455113872.db2.gz RCVPUFFDEDERLT-GOSISDBHSA-N 2 1 334.504 3.395 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(COCC)c2)C1 ZINC000180003182 455113877 /nfs/dbraw/zinc/11/38/77/455113877.db2.gz RCVPUFFDEDERLT-GOSISDBHSA-N 2 1 334.504 3.395 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)c(COCC)c2)C1 ZINC000180003182 455113880 /nfs/dbraw/zinc/11/38/80/455113880.db2.gz RCVPUFFDEDERLT-GOSISDBHSA-N 2 1 334.504 3.395 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)c(COCC)c2)C1 ZINC000180003182 455113884 /nfs/dbraw/zinc/11/38/84/455113884.db2.gz RCVPUFFDEDERLT-GOSISDBHSA-N 2 1 334.504 3.395 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000623656088 460663193 /nfs/dbraw/zinc/66/31/93/460663193.db2.gz MPWSUBLTXOGSDD-UYAOXDASSA-N 2 1 332.488 3.066 20 0 EGADMP COc1ccccc1[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000119193020 455131737 /nfs/dbraw/zinc/13/17/37/455131737.db2.gz KZHNXLABBJEGKI-BJLQDIEVSA-N 2 1 345.531 3.295 20 0 EGADMP C[N@@H+](Cc1csc(COc2ccccc2)n1)CC1CC[NH+](C)CC1 ZINC000172534336 455160444 /nfs/dbraw/zinc/16/04/44/455160444.db2.gz HMFUNXDGPYTJRO-UHFFFAOYSA-N 2 1 345.512 3.496 20 0 EGADMP C[N@H+](Cc1csc(COc2ccccc2)n1)CC1CC[NH+](C)CC1 ZINC000172534336 455160446 /nfs/dbraw/zinc/16/04/46/455160446.db2.gz HMFUNXDGPYTJRO-UHFFFAOYSA-N 2 1 345.512 3.496 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2cccs2)n1 ZINC000180393133 455163409 /nfs/dbraw/zinc/16/34/09/455163409.db2.gz MVQKRBZNYNNDPT-HNNXBMFYSA-N 2 1 330.501 3.066 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2cccs2)n1 ZINC000180393133 455163411 /nfs/dbraw/zinc/16/34/11/455163411.db2.gz MVQKRBZNYNNDPT-HNNXBMFYSA-N 2 1 330.501 3.066 20 0 EGADMP c1cn(CCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000182863741 455179669 /nfs/dbraw/zinc/17/96/69/455179669.db2.gz QNJJPASSZBUQEM-SFTDATJTSA-N 2 1 338.499 3.260 20 0 EGADMP c1cn(CCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000182863741 455179675 /nfs/dbraw/zinc/17/96/75/455179675.db2.gz QNJJPASSZBUQEM-SFTDATJTSA-N 2 1 338.499 3.260 20 0 EGADMP c1cn(CCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000182863741 455179677 /nfs/dbraw/zinc/17/96/77/455179677.db2.gz QNJJPASSZBUQEM-SFTDATJTSA-N 2 1 338.499 3.260 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182908502 455188322 /nfs/dbraw/zinc/18/83/22/455188322.db2.gz YYPQJBVLLZJEEF-SJORKVTESA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182908502 455188324 /nfs/dbraw/zinc/18/83/24/455188324.db2.gz YYPQJBVLLZJEEF-SJORKVTESA-N 2 1 346.519 3.166 20 0 EGADMP Cc1nn(C)c2ncc(C[NH2+]CCCC[N@@H+]3CCCC[C@@H]3C)cc12 ZINC000237503090 455189963 /nfs/dbraw/zinc/18/99/63/455189963.db2.gz CSSHKFJHGNQWSM-HNNXBMFYSA-N 2 1 329.492 3.021 20 0 EGADMP C[N@@H+](Cc1cccc2[nH]ccc21)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190310916 455296372 /nfs/dbraw/zinc/29/63/72/455296372.db2.gz RJZUEWVRBZGYPY-JOCHJYFZSA-N 2 1 349.478 3.237 20 0 EGADMP C[NH+](Cc1cccc2[nH]ccc21)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190310916 455296374 /nfs/dbraw/zinc/29/63/74/455296374.db2.gz RJZUEWVRBZGYPY-JOCHJYFZSA-N 2 1 349.478 3.237 20 0 EGADMP C[NH+](Cc1cccc2[nH]ccc21)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190310916 455296379 /nfs/dbraw/zinc/29/63/79/455296379.db2.gz RJZUEWVRBZGYPY-JOCHJYFZSA-N 2 1 349.478 3.237 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000245442276 455301433 /nfs/dbraw/zinc/30/14/33/455301433.db2.gz WEXASNAYWQOLFT-HUUCEWRRSA-N 2 1 337.895 3.331 20 0 EGADMP CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OCC ZINC000158590572 455314517 /nfs/dbraw/zinc/31/45/17/455314517.db2.gz CHLGGWLFSQZJFV-QZTJIDSGSA-N 2 1 332.488 3.400 20 0 EGADMP CCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OCC ZINC000158590572 455314521 /nfs/dbraw/zinc/31/45/21/455314521.db2.gz CHLGGWLFSQZJFV-QZTJIDSGSA-N 2 1 332.488 3.400 20 0 EGADMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OCC ZINC000158590572 455314524 /nfs/dbraw/zinc/31/45/24/455314524.db2.gz CHLGGWLFSQZJFV-QZTJIDSGSA-N 2 1 332.488 3.400 20 0 EGADMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1OCC ZINC000158590572 455314530 /nfs/dbraw/zinc/31/45/30/455314530.db2.gz CHLGGWLFSQZJFV-QZTJIDSGSA-N 2 1 332.488 3.400 20 0 EGADMP CC1(C)[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)[C@@H]2CCCO[C@H]21 ZINC000245867878 455388457 /nfs/dbraw/zinc/38/84/57/455388457.db2.gz IVRJJDFJKARXJZ-XUVXKRRUSA-N 2 1 328.500 3.228 20 0 EGADMP CC1(C)[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)[C@@H]2CCCO[C@H]21 ZINC000245867878 455388459 /nfs/dbraw/zinc/38/84/59/455388459.db2.gz IVRJJDFJKARXJZ-XUVXKRRUSA-N 2 1 328.500 3.228 20 0 EGADMP C[C@@H](CC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)[NH+]1CCCCC1 ZINC000184508631 455393478 /nfs/dbraw/zinc/39/34/78/455393478.db2.gz FUXIVVSEGBSTAX-HOTGVXAUSA-N 2 1 338.517 3.005 20 0 EGADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000181948076 455403357 /nfs/dbraw/zinc/40/33/57/455403357.db2.gz CAZFZDLQJAGQRU-ZWKOTPCHSA-N 2 1 338.536 3.205 20 0 EGADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000175004929 455419676 /nfs/dbraw/zinc/41/96/76/455419676.db2.gz MQFAJNPKFDOYAT-KRWDZBQOSA-N 2 1 347.547 3.164 20 0 EGADMP COc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000246281044 455464047 /nfs/dbraw/zinc/46/40/47/455464047.db2.gz NOUHQAJJHHMOTL-SLEUVZQESA-N 2 1 341.293 3.276 20 0 EGADMP COc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000246281044 455464049 /nfs/dbraw/zinc/46/40/49/455464049.db2.gz NOUHQAJJHHMOTL-SLEUVZQESA-N 2 1 341.293 3.276 20 0 EGADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1F ZINC000185270484 455531987 /nfs/dbraw/zinc/53/19/87/455531987.db2.gz BUWIKHPTPYZWAI-CABCVRRESA-N 2 1 333.451 3.444 20 0 EGADMP C[C@H](CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000246881992 455533690 /nfs/dbraw/zinc/53/36/90/455533690.db2.gz DDCVDWNVFSHQJD-SBHAEUEKSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000246881992 455533693 /nfs/dbraw/zinc/53/36/93/455533693.db2.gz DDCVDWNVFSHQJD-SBHAEUEKSA-N 2 1 344.547 3.002 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000246941235 455537520 /nfs/dbraw/zinc/53/75/20/455537520.db2.gz HRMJPOQQLSFYDC-SJORKVTESA-N 2 1 345.487 3.414 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)NCCC(C)(C)C)C1 ZINC000247038660 455549504 /nfs/dbraw/zinc/54/95/04/455549504.db2.gz RQTNHILIKPLAAK-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000247087588 455557597 /nfs/dbraw/zinc/55/75/97/455557597.db2.gz NUPVROCZRUBSGF-QXAKKESOSA-N 2 1 333.520 3.150 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185724760 455606182 /nfs/dbraw/zinc/60/61/82/455606182.db2.gz GTXQURIBFTVXGI-ABSDTBQOSA-N 2 1 341.499 3.035 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724760 455606188 /nfs/dbraw/zinc/60/61/88/455606188.db2.gz GTXQURIBFTVXGI-ABSDTBQOSA-N 2 1 341.499 3.035 20 0 EGADMP C[C@H]([NH2+]CC(=O)NCCC1=CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185756330 455616098 /nfs/dbraw/zinc/61/60/98/455616098.db2.gz JXNSCXBWZFQJTK-PKOBYXMFSA-N 2 1 347.547 3.236 20 0 EGADMP C[C@H]([NH2+]CC(=O)NCCC1=CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185756330 455616102 /nfs/dbraw/zinc/61/61/02/455616102.db2.gz JXNSCXBWZFQJTK-PKOBYXMFSA-N 2 1 347.547 3.236 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2(C(N)=O)CCCC2)CC1 ZINC000284038367 455626659 /nfs/dbraw/zinc/62/66/59/455626659.db2.gz JRMWZLATACJOJX-UHFFFAOYSA-N 2 1 343.515 3.065 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CCCO1 ZINC000277668878 455629085 /nfs/dbraw/zinc/62/90/85/455629085.db2.gz FZKHZPLEBPBIJR-ZDUSSCGKSA-N 2 1 348.384 3.435 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CCCO1 ZINC000277668878 455629089 /nfs/dbraw/zinc/62/90/89/455629089.db2.gz FZKHZPLEBPBIJR-ZDUSSCGKSA-N 2 1 348.384 3.435 20 0 EGADMP Cc1nc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cs1 ZINC000284085105 455634235 /nfs/dbraw/zinc/63/42/35/455634235.db2.gz RIHJBGFEFBVCRA-UHFFFAOYSA-N 2 1 331.485 3.214 20 0 EGADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CCC2(C)C)c1)C1CCOCC1 ZINC000284102449 455636195 /nfs/dbraw/zinc/63/61/95/455636195.db2.gz BUTKQISRUHKMPY-FQEVSTJZSA-N 2 1 346.515 3.454 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2cccc(OC)c2)[C@H](C)C1 ZINC000271523732 455671580 /nfs/dbraw/zinc/67/15/80/455671580.db2.gz VJBVBINQAWACET-WIYYLYMNSA-N 2 1 348.531 3.354 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000268404503 455673883 /nfs/dbraw/zinc/67/38/83/455673883.db2.gz SOWCZYMWTYUMSB-IBGZPJMESA-N 2 1 345.531 3.236 20 0 EGADMP Cc1ccncc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000271538890 455676727 /nfs/dbraw/zinc/67/67/27/455676727.db2.gz YPPOSLQNSVSBSB-QZTJIDSGSA-N 2 1 339.483 3.462 20 0 EGADMP Cc1ccncc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000271538890 455676731 /nfs/dbraw/zinc/67/67/31/455676731.db2.gz YPPOSLQNSVSBSB-QZTJIDSGSA-N 2 1 339.483 3.462 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cnc(-c3ccccc3)s2)CCCO1 ZINC000277865819 455690969 /nfs/dbraw/zinc/69/09/69/455690969.db2.gz NJTKPWDIIMDDGZ-MRXNPFEDSA-N 2 1 345.512 3.401 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cnc(-c3ccccc3)s2)CCCO1 ZINC000277865819 455690972 /nfs/dbraw/zinc/69/09/72/455690972.db2.gz NJTKPWDIIMDDGZ-MRXNPFEDSA-N 2 1 345.512 3.401 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2COC3(CCCC3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000271663421 455715972 /nfs/dbraw/zinc/71/59/72/455715972.db2.gz HNNCVTVNCXULET-HOJAQTOUSA-N 2 1 344.499 3.315 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2COC3(CCCC3)O2)CC[N@H+]1Cc1ccccc1 ZINC000271663421 455715977 /nfs/dbraw/zinc/71/59/77/455715977.db2.gz HNNCVTVNCXULET-HOJAQTOUSA-N 2 1 344.499 3.315 20 0 EGADMP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC[C@H]3CCCC[N@@H+]3C)ccc2NC1=O ZINC000271714694 455731490 /nfs/dbraw/zinc/73/14/90/455731490.db2.gz KGIGNBRVXMYJKQ-KYJSFNMBSA-N 2 1 345.487 3.321 20 0 EGADMP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC[C@H]3CCCC[N@H+]3C)ccc2NC1=O ZINC000271714694 455731492 /nfs/dbraw/zinc/73/14/92/455731492.db2.gz KGIGNBRVXMYJKQ-KYJSFNMBSA-N 2 1 345.487 3.321 20 0 EGADMP CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(OC)cc1 ZINC000268938964 455736563 /nfs/dbraw/zinc/73/65/63/455736563.db2.gz SGXNATZVKRGTAT-ICSRJNTNSA-N 2 1 334.504 3.363 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000268995727 455758159 /nfs/dbraw/zinc/75/81/59/455758159.db2.gz IIKSZIGSEHGANT-AYOQOUSVSA-N 2 1 330.497 3.424 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000268995727 455758162 /nfs/dbraw/zinc/75/81/62/455758162.db2.gz IIKSZIGSEHGANT-AYOQOUSVSA-N 2 1 330.497 3.424 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cncc(Br)c2)C1 ZINC000186591143 455801518 /nfs/dbraw/zinc/80/15/18/455801518.db2.gz OPSOVIUMOKZEPM-OKILXGFUSA-N 2 1 340.309 3.302 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cncc(Br)c2)C1 ZINC000186591143 455801525 /nfs/dbraw/zinc/80/15/25/455801525.db2.gz OPSOVIUMOKZEPM-OKILXGFUSA-N 2 1 340.309 3.302 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000269175737 455803923 /nfs/dbraw/zinc/80/39/23/455803923.db2.gz ILIUHMIGFBHVSE-WOJBJXKFSA-N 2 1 343.515 3.085 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000278354510 455826875 /nfs/dbraw/zinc/82/68/75/455826875.db2.gz AZZDZEWQZFUVNI-ROUUACIJSA-N 2 1 342.487 3.024 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272191926 455872369 /nfs/dbraw/zinc/87/23/69/455872369.db2.gz MKJPZFRZWMFXHV-PXNSSMCTSA-N 2 1 338.499 3.148 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744841 455907701 /nfs/dbraw/zinc/90/77/01/455907701.db2.gz YJDHPMPJUXZBRN-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285744841 455907704 /nfs/dbraw/zinc/90/77/04/455907704.db2.gz YJDHPMPJUXZBRN-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285744841 455907708 /nfs/dbraw/zinc/90/77/08/455907708.db2.gz YJDHPMPJUXZBRN-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000272334084 455917266 /nfs/dbraw/zinc/91/72/66/455917266.db2.gz YJUWFKWVHPXCJW-CBGDNZLLSA-N 2 1 345.531 3.032 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000285934190 455945301 /nfs/dbraw/zinc/94/53/01/455945301.db2.gz LWPCDLBYVTXTBY-HSALFYBXSA-N 2 1 325.456 3.086 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000285934190 455945305 /nfs/dbraw/zinc/94/53/05/455945305.db2.gz LWPCDLBYVTXTBY-HSALFYBXSA-N 2 1 325.456 3.086 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1)c1ccc2ccccc2c1 ZINC000261865816 455961218 /nfs/dbraw/zinc/96/12/18/455961218.db2.gz SPDORZKVKHZFHB-QYWGDWMGSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccc2ccccc2c1 ZINC000261865816 455961223 /nfs/dbraw/zinc/96/12/23/455961223.db2.gz SPDORZKVKHZFHB-QYWGDWMGSA-N 2 1 339.483 3.076 20 0 EGADMP Cc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c(-c2ccnn2C)c1 ZINC000262033475 455987829 /nfs/dbraw/zinc/98/78/29/455987829.db2.gz XLBFXRWCYHAPGO-UHFFFAOYSA-N 2 1 338.499 3.360 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000262035156 455988484 /nfs/dbraw/zinc/98/84/84/455988484.db2.gz ZKULLYNCOJZJLE-GFCCVEGCSA-N 2 1 344.286 3.383 20 0 EGADMP Cc1nccn1CCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272601948 456010506 /nfs/dbraw/zinc/01/05/06/456010506.db2.gz YNSULFFINOZLFR-YLJYHZDGSA-N 2 1 326.488 3.082 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272601948 456010510 /nfs/dbraw/zinc/01/05/10/456010510.db2.gz YNSULFFINOZLFR-YLJYHZDGSA-N 3 1 326.488 3.082 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272601948 456010513 /nfs/dbraw/zinc/01/05/13/456010513.db2.gz YNSULFFINOZLFR-YLJYHZDGSA-N 3 1 326.488 3.082 20 0 EGADMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272669151 456033184 /nfs/dbraw/zinc/03/31/84/456033184.db2.gz OVGFCDFZZOJCOS-WJMWBRGCSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H](N[C@@H]1CC[NH+]2CCCC[C@@H]12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272669151 456033190 /nfs/dbraw/zinc/03/31/90/456033190.db2.gz OVGFCDFZZOJCOS-WJMWBRGCSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H](N[C@@H]1CC[NH+]2CCCC[C@@H]12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272669151 456033197 /nfs/dbraw/zinc/03/31/97/456033197.db2.gz OVGFCDFZZOJCOS-WJMWBRGCSA-N 2 1 327.516 3.113 20 0 EGADMP C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000262415578 456033716 /nfs/dbraw/zinc/03/37/16/456033716.db2.gz DNBULXPCEYADRV-LBPRGKRZSA-N 2 1 344.286 3.396 20 0 EGADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2ccc(C)cc2)C1 ZINC000262680535 456051751 /nfs/dbraw/zinc/05/17/51/456051751.db2.gz VWERFFTVPITBHI-WMZOPIPTSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2ccc(C)cc2)C1 ZINC000262680535 456051755 /nfs/dbraw/zinc/05/17/55/456051755.db2.gz VWERFFTVPITBHI-WMZOPIPTSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Br)cc1F ZINC000225562826 456093742 /nfs/dbraw/zinc/09/37/42/456093742.db2.gz BURDYHCEJVUTTG-SNVBAGLBSA-N 2 1 326.213 3.215 20 0 EGADMP C[NH2+]CCC[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000229506189 456129871 /nfs/dbraw/zinc/12/98/71/456129871.db2.gz GBAGTTIGOYZHKR-UHFFFAOYSA-N 2 1 325.172 3.167 20 0 EGADMP CC(C)(C)c1nc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cs1 ZINC000333137996 456166087 /nfs/dbraw/zinc/16/60/87/456166087.db2.gz KMMXZZDTAWMQPL-HOCLYGCPSA-N 2 1 337.533 3.159 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000273195129 456210897 /nfs/dbraw/zinc/21/08/97/456210897.db2.gz IULHXVUWMIIFFM-HZPDHXFCSA-N 2 1 347.503 3.185 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(COCCOC)cc2)C1 ZINC000290148849 456253026 /nfs/dbraw/zinc/25/30/26/456253026.db2.gz WLBLZUUFEMJCEE-FQEVSTJZSA-N 2 1 334.504 3.013 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(COCCOC)cc2)C1 ZINC000290148849 456253031 /nfs/dbraw/zinc/25/30/31/456253031.db2.gz WLBLZUUFEMJCEE-FQEVSTJZSA-N 2 1 334.504 3.013 20 0 EGADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)c1 ZINC000290242239 456273303 /nfs/dbraw/zinc/27/33/03/456273303.db2.gz ZCLFNJVOIPXOPA-QGZVFWFLSA-N 2 1 340.471 3.234 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1O ZINC000297669331 456273446 /nfs/dbraw/zinc/27/34/46/456273446.db2.gz JXXKVINLKRKSHE-SJLPKXTDSA-N 2 1 330.472 3.240 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1O ZINC000297669331 456273449 /nfs/dbraw/zinc/27/34/49/456273449.db2.gz JXXKVINLKRKSHE-SJLPKXTDSA-N 2 1 330.472 3.240 20 0 EGADMP CCOc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1O ZINC000297669331 456273451 /nfs/dbraw/zinc/27/34/51/456273451.db2.gz JXXKVINLKRKSHE-SJLPKXTDSA-N 2 1 330.472 3.240 20 0 EGADMP CCOc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1O ZINC000297669331 456273454 /nfs/dbraw/zinc/27/34/54/456273454.db2.gz JXXKVINLKRKSHE-SJLPKXTDSA-N 2 1 330.472 3.240 20 0 EGADMP c1ccc(C[N@@H+](Cc2ccc3c(c2)CCO3)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000275553372 456277523 /nfs/dbraw/zinc/27/75/23/456277523.db2.gz FFZMLNZDZRJQDT-HXUWFJFHSA-N 2 1 337.467 3.161 20 0 EGADMP c1ccc(C[N@H+](Cc2ccc3c(c2)CCO3)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000275553372 456277526 /nfs/dbraw/zinc/27/75/26/456277526.db2.gz FFZMLNZDZRJQDT-HXUWFJFHSA-N 2 1 337.467 3.161 20 0 EGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3COc4ccccc4[C@@H]3O)CC2)C1 ZINC000290282776 456279339 /nfs/dbraw/zinc/27/93/39/456279339.db2.gz MIVFNJRQXSNOCW-GRVMKYMCSA-N 2 1 344.499 3.114 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc(Cl)c1O ZINC000297739948 456284197 /nfs/dbraw/zinc/28/41/97/456284197.db2.gz SXDAUACPHBBZKL-ZIAGYGMSSA-N 2 1 326.868 3.407 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2-n2cccn2)C[C@@H]1c1ccccc1 ZINC000340173132 456288777 /nfs/dbraw/zinc/28/87/77/456288777.db2.gz OOGSKDGBUHSTBG-WOJBJXKFSA-N 2 1 347.466 3.192 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2-n2cccn2)C[C@@H]1c1ccccc1 ZINC000340173132 456288784 /nfs/dbraw/zinc/28/87/84/456288784.db2.gz OOGSKDGBUHSTBG-WOJBJXKFSA-N 2 1 347.466 3.192 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2c[nH]c3nccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000290322580 456290863 /nfs/dbraw/zinc/29/08/63/456290863.db2.gz ABBLMDBNZHORPJ-CRAIPNDOSA-N 2 1 335.455 3.101 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2c[nH]c3nccnc23)CC[N@H+]1Cc1ccccc1 ZINC000290322580 456290868 /nfs/dbraw/zinc/29/08/68/456290868.db2.gz ABBLMDBNZHORPJ-CRAIPNDOSA-N 2 1 335.455 3.101 20 0 EGADMP CCN(CC)C(=O)CCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340184269 456298097 /nfs/dbraw/zinc/29/80/97/456298097.db2.gz KAEWCJFIVZKBAU-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCN(CC)C(=O)CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340184269 456298103 /nfs/dbraw/zinc/29/81/03/456298103.db2.gz KAEWCJFIVZKBAU-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C(C)C)C(C)C)CC2)cc1 ZINC000352784041 456303036 /nfs/dbraw/zinc/30/30/36/456303036.db2.gz MCAMUKBXEWTDRN-UHFFFAOYSA-N 2 1 345.531 3.148 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2cnccc2C)[C@@H](C)C1 ZINC000290387390 456313759 /nfs/dbraw/zinc/31/37/59/456313759.db2.gz OJRNVDCGRFCBRJ-AZUAARDMSA-N 2 1 333.520 3.049 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)c(Br)c1 ZINC000290402204 456318327 /nfs/dbraw/zinc/31/83/27/456318327.db2.gz JMQJJKIYJYTGNV-NHYWBVRUSA-N 2 1 329.257 3.360 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)c(Br)c1 ZINC000290402204 456318335 /nfs/dbraw/zinc/31/83/35/456318335.db2.gz JMQJJKIYJYTGNV-NHYWBVRUSA-N 2 1 329.257 3.360 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(F)c(Br)c1 ZINC000290402204 456318342 /nfs/dbraw/zinc/31/83/42/456318342.db2.gz JMQJJKIYJYTGNV-NHYWBVRUSA-N 2 1 329.257 3.360 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(F)c(Br)c1 ZINC000290402204 456318347 /nfs/dbraw/zinc/31/83/47/456318347.db2.gz JMQJJKIYJYTGNV-NHYWBVRUSA-N 2 1 329.257 3.360 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C[C@@H]4CCCOC4)C3)C2)cc1 ZINC000342938287 456324954 /nfs/dbraw/zinc/32/49/54/456324954.db2.gz XCDNYUHGZVBSKV-SFTDATJTSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C[C@@H]4CCCOC4)C3)C2)cc1 ZINC000342938287 456324959 /nfs/dbraw/zinc/32/49/59/456324959.db2.gz XCDNYUHGZVBSKV-SFTDATJTSA-N 2 1 328.500 3.401 20 0 EGADMP CCOc1c(OC)cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000290440417 456328606 /nfs/dbraw/zinc/32/86/06/456328606.db2.gz LUNKICPWPNOSJA-IRXDYDNUSA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000290440417 456328612 /nfs/dbraw/zinc/32/86/12/456328612.db2.gz LUNKICPWPNOSJA-IRXDYDNUSA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1OC ZINC000290440417 456328617 /nfs/dbraw/zinc/32/86/17/456328617.db2.gz LUNKICPWPNOSJA-IRXDYDNUSA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1OC ZINC000290440417 456328623 /nfs/dbraw/zinc/32/86/23/456328623.db2.gz LUNKICPWPNOSJA-IRXDYDNUSA-N 2 1 348.487 3.019 20 0 EGADMP CSc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000352824401 456339919 /nfs/dbraw/zinc/33/99/19/456339919.db2.gz QDBRXBYUAGRDJF-OKILXGFUSA-N 2 1 328.547 3.449 20 0 EGADMP Cc1cc[nH+]c(N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000347742779 456343122 /nfs/dbraw/zinc/34/31/22/456343122.db2.gz RJRAPHSDDNBWAH-UHFFFAOYSA-N 2 1 330.520 3.023 20 0 EGADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c3ccccc3)C1)CCC2 ZINC000340258014 456346234 /nfs/dbraw/zinc/34/62/34/456346234.db2.gz ZDGJMWNKHOELPW-XUVXKRRUSA-N 2 1 338.499 3.494 20 0 EGADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c3ccccc3)C1)CCC2 ZINC000340258014 456346240 /nfs/dbraw/zinc/34/62/40/456346240.db2.gz ZDGJMWNKHOELPW-XUVXKRRUSA-N 2 1 338.499 3.494 20 0 EGADMP CSc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000352848466 456360344 /nfs/dbraw/zinc/36/03/44/456360344.db2.gz VVNNGFBELCFZAN-HOTGVXAUSA-N 2 1 340.558 3.328 20 0 EGADMP Cc1cc(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000343055552 456376851 /nfs/dbraw/zinc/37/68/51/456376851.db2.gz ADXXYEXYILQFJE-QZTJIDSGSA-N 2 1 345.874 3.414 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000347839378 456396773 /nfs/dbraw/zinc/39/67/73/456396773.db2.gz CAIXDUCFOFQSGR-ROUUACIJSA-N 2 1 341.499 3.423 20 0 EGADMP CCC[N@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000347860153 456410473 /nfs/dbraw/zinc/41/04/73/456410473.db2.gz SIUROMOQDUJOFP-UAGQMJEPSA-N 2 1 337.533 3.230 20 0 EGADMP CCC[N@@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000347860153 456410480 /nfs/dbraw/zinc/41/04/80/456410480.db2.gz SIUROMOQDUJOFP-UAGQMJEPSA-N 2 1 337.533 3.230 20 0 EGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298266677 456411365 /nfs/dbraw/zinc/41/13/65/456411365.db2.gz GCMANCGLGJRZOY-KRWDZBQOSA-N 3 1 330.520 3.151 20 0 EGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298266677 456411369 /nfs/dbraw/zinc/41/13/69/456411369.db2.gz GCMANCGLGJRZOY-KRWDZBQOSA-N 3 1 330.520 3.151 20 0 EGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)[C@@]1(C)CCCO1)c1ccccc1 ZINC000340476993 456484072 /nfs/dbraw/zinc/48/40/72/456484072.db2.gz DFWVMHQPSDWWHL-YZGWKJHDSA-N 2 1 334.504 3.243 20 0 EGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)[C@@]1(C)CCCO1)c1ccccc1 ZINC000340476993 456484075 /nfs/dbraw/zinc/48/40/75/456484075.db2.gz DFWVMHQPSDWWHL-YZGWKJHDSA-N 2 1 334.504 3.243 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1cc[nH]c(=O)c1 ZINC000340448850 456468083 /nfs/dbraw/zinc/46/80/83/456468083.db2.gz PVKNWYHPLGGOMZ-JOCLIGHLSA-N 2 1 337.467 3.348 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(-n2ccnn2)c1 ZINC000348087510 456469208 /nfs/dbraw/zinc/46/92/08/456469208.db2.gz PHQGWSRGNYXUNT-IRXDYDNUSA-N 2 1 327.476 3.182 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298487761 456471151 /nfs/dbraw/zinc/47/11/51/456471151.db2.gz PVMZKQOPCWJSIM-HNNXBMFYSA-N 2 1 329.488 3.388 20 0 EGADMP CCCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000340494564 456492659 /nfs/dbraw/zinc/49/26/59/456492659.db2.gz FGDHCKPSUFWKLR-MSOLQXFVSA-N 2 1 345.531 3.313 20 0 EGADMP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC000282425995 456509914 /nfs/dbraw/zinc/50/99/14/456509914.db2.gz MBFCVMCROCCFOT-LRDDRELGSA-N 2 1 346.272 3.485 20 0 EGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000305167178 456533182 /nfs/dbraw/zinc/53/31/82/456533182.db2.gz DFWKBIXZKFJFBA-KRWDZBQOSA-N 2 1 344.421 3.025 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000305167178 456533187 /nfs/dbraw/zinc/53/31/87/456533187.db2.gz DFWKBIXZKFJFBA-KRWDZBQOSA-N 2 1 344.421 3.025 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccccc2OC2CCCC2)CC1(C)C ZINC000282503846 456534245 /nfs/dbraw/zinc/53/42/45/456534245.db2.gz WXOUQGKDFPQPSH-UHFFFAOYSA-N 2 1 345.531 3.124 20 0 EGADMP COc1ccc(C[N@@H+](CCn2ccnc2)[C@H](C)C2CC2)c(OC)c1 ZINC000282573169 456556940 /nfs/dbraw/zinc/55/69/40/456556940.db2.gz ZTUUWAACQGBHEO-OAHLLOKOSA-N 2 1 329.444 3.201 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000282582384 456560449 /nfs/dbraw/zinc/56/04/49/456560449.db2.gz ZTFWUQOYMBVBCY-AHRSYUTCSA-N 2 1 334.479 3.261 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291247664 456577964 /nfs/dbraw/zinc/57/79/64/456577964.db2.gz VQWKLIBGMJLSPE-YOEHRIQHSA-N 2 1 344.421 3.403 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291247664 456577971 /nfs/dbraw/zinc/57/79/71/456577971.db2.gz VQWKLIBGMJLSPE-YOEHRIQHSA-N 2 1 344.421 3.403 20 0 EGADMP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000291267732 456585852 /nfs/dbraw/zinc/58/58/52/456585852.db2.gz XRUNQRCCNHKHOV-NHCUHLMSSA-N 2 1 330.516 3.487 20 0 EGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000343468221 456641929 /nfs/dbraw/zinc/64/19/29/456641929.db2.gz LUGCRXZQHPIJKR-AABGKKOBSA-N 2 1 345.531 3.243 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCC[C@H](C)C2)cc1 ZINC000338001956 456648860 /nfs/dbraw/zinc/64/88/60/456648860.db2.gz MQZQTDCTDUHJFG-SFHVURJKSA-N 2 1 345.531 3.380 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000338001956 456648867 /nfs/dbraw/zinc/64/88/67/456648867.db2.gz MQZQTDCTDUHJFG-SFHVURJKSA-N 2 1 345.531 3.380 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000338001956 456648876 /nfs/dbraw/zinc/64/88/76/456648876.db2.gz MQZQTDCTDUHJFG-SFHVURJKSA-N 2 1 345.531 3.380 20 0 EGADMP O[C@@H]1CCC[C@]1(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000277012502 456652342 /nfs/dbraw/zinc/65/23/42/456652342.db2.gz CELICMMBLCHHBX-XRXFAXGQSA-N 2 1 346.490 3.116 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353389348 456668261 /nfs/dbraw/zinc/66/82/61/456668261.db2.gz VFFFCMJGEXNUSX-XUVXKRRUSA-N 2 1 342.462 3.282 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2C)c2ccccc21 ZINC000282997925 456685031 /nfs/dbraw/zinc/68/50/31/456685031.db2.gz GBFIRSNQFQPODD-MOPGFXCFSA-N 2 1 341.455 3.353 20 0 EGADMP CCOC(=O)CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000343542824 456695282 /nfs/dbraw/zinc/69/52/82/456695282.db2.gz VEOLWCOFMQJCKR-UXHICEINSA-N 2 1 344.499 3.316 20 0 EGADMP CCOC(=O)CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000343542824 456695291 /nfs/dbraw/zinc/69/52/91/456695291.db2.gz VEOLWCOFMQJCKR-UXHICEINSA-N 2 1 344.499 3.316 20 0 EGADMP CCOC(=O)CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000343542824 456695297 /nfs/dbraw/zinc/69/52/97/456695297.db2.gz VEOLWCOFMQJCKR-UXHICEINSA-N 2 1 344.499 3.316 20 0 EGADMP CCOC(=O)CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000343542824 456695302 /nfs/dbraw/zinc/69/53/02/456695302.db2.gz VEOLWCOFMQJCKR-UXHICEINSA-N 2 1 344.499 3.316 20 0 EGADMP CCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](CC)c1ccccc1 ZINC000338231724 456720797 /nfs/dbraw/zinc/72/07/97/456720797.db2.gz DNULDVBNFCHPJA-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP CCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](CC)c1ccccc1 ZINC000338231724 456720802 /nfs/dbraw/zinc/72/08/02/456720802.db2.gz DNULDVBNFCHPJA-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000353513243 456726823 /nfs/dbraw/zinc/72/68/23/456726823.db2.gz FIIJEZXVHOOTDE-CRAIPNDOSA-N 2 1 340.458 3.112 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000283194065 456732545 /nfs/dbraw/zinc/73/25/45/456732545.db2.gz KVXGNYVIDDWKCA-BEVDRBHNSA-N 2 1 342.483 3.242 20 0 EGADMP c1sc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)nc1C1CC1 ZINC000343605696 456738621 /nfs/dbraw/zinc/73/86/21/456738621.db2.gz IJYNIHRZPUQMRY-UHFFFAOYSA-N 2 1 335.517 3.097 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1)C(C)C ZINC000277244445 456741821 /nfs/dbraw/zinc/74/18/21/456741821.db2.gz JMIXSWMXTIHOSN-HXUWFJFHSA-N 2 1 345.531 3.473 20 0 EGADMP Cc1cccc2ncc(CN3CC[N@H+](Cc4ccccc4)C[C@H]3C)n21 ZINC000353559547 456759813 /nfs/dbraw/zinc/75/98/13/456759813.db2.gz GFWBPHUNYHPULN-GOSISDBHSA-N 2 1 334.467 3.349 20 0 EGADMP Cc1cccc2ncc(CN3CCN(Cc4ccccc4)C[C@H]3C)n21 ZINC000353559547 456759817 /nfs/dbraw/zinc/75/98/17/456759817.db2.gz GFWBPHUNYHPULN-GOSISDBHSA-N 2 1 334.467 3.349 20 0 EGADMP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000353567541 456767624 /nfs/dbraw/zinc/76/76/24/456767624.db2.gz ZLADAEVTADOIEX-QUCCMNQESA-N 2 1 326.488 3.164 20 0 EGADMP COc1ccc([C@H](O)C2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000291855068 456778236 /nfs/dbraw/zinc/77/82/36/456778236.db2.gz PEYCQFGDEWRQAH-CTNGQTDRSA-N 2 1 346.515 3.315 20 0 EGADMP CCCC[N@@H+](CCOC)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000353586550 456784092 /nfs/dbraw/zinc/78/40/92/456784092.db2.gz DKGAFXCRHYKLER-UHFFFAOYSA-N 2 1 333.520 3.077 20 0 EGADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)cc2)cs1 ZINC000353586185 456784511 /nfs/dbraw/zinc/78/45/11/456784511.db2.gz WLHDQHHPIRDAOS-QGZVFWFLSA-N 2 1 345.512 3.414 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)cc2)cs1 ZINC000353586185 456784515 /nfs/dbraw/zinc/78/45/15/456784515.db2.gz WLHDQHHPIRDAOS-QGZVFWFLSA-N 2 1 345.512 3.414 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277359573 456794024 /nfs/dbraw/zinc/79/40/24/456794024.db2.gz FDYHYZVFCCZIHP-GOSISDBHSA-N 2 1 326.488 3.405 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277359573 456794032 /nfs/dbraw/zinc/79/40/32/456794032.db2.gz FDYHYZVFCCZIHP-GOSISDBHSA-N 2 1 326.488 3.405 20 0 EGADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000344186905 456804404 /nfs/dbraw/zinc/80/44/04/456804404.db2.gz FXZMVWHZXQHYOL-NQIIRXRSSA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000344186905 456804407 /nfs/dbraw/zinc/80/44/07/456804407.db2.gz FXZMVWHZXQHYOL-NQIIRXRSSA-N 2 1 329.532 3.348 20 0 EGADMP CCc1nc(C)c(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)o1 ZINC000291968080 456814999 /nfs/dbraw/zinc/81/49/99/456814999.db2.gz STICMDFFSABYGR-AWEZNQCLSA-N 2 1 331.460 3.337 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000277473564 456836793 /nfs/dbraw/zinc/83/67/93/456836793.db2.gz MFASFZYDXPYEFO-QGZVFWFLSA-N 2 1 326.444 3.185 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000277473564 456836800 /nfs/dbraw/zinc/83/68/00/456836800.db2.gz MFASFZYDXPYEFO-QGZVFWFLSA-N 2 1 326.444 3.185 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000344626134 456843468 /nfs/dbraw/zinc/84/34/68/456843468.db2.gz BPKUKUOODWYEAW-IEBWSBKVSA-N 2 1 343.471 3.082 20 0 EGADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000348764650 456846939 /nfs/dbraw/zinc/84/69/39/456846939.db2.gz PXLXIQHLMLPLLZ-HXUWFJFHSA-N 2 1 343.515 3.085 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CC[C@H]3CCC[NH2+]3)cc2)C1 ZINC000292192574 456880808 /nfs/dbraw/zinc/88/08/08/456880808.db2.gz XPIIRKKCJLSOHQ-FXAWDEMLSA-N 2 1 343.515 3.067 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000292192576 456880813 /nfs/dbraw/zinc/88/08/13/456880813.db2.gz XPIIRKKCJLSOHQ-PXNSSMCTSA-N 2 1 343.515 3.067 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](Cc2cc(C)c(C)cc2C)CC1 ZINC000348877653 456885843 /nfs/dbraw/zinc/88/58/43/456885843.db2.gz PKSGHISNYHLZKG-UHFFFAOYSA-N 2 1 348.531 3.171 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cn(-c3ccccc3)nn2)CC1 ZINC000338989722 456889508 /nfs/dbraw/zinc/88/95/08/456889508.db2.gz ARKIKYGYQYUWFA-UHFFFAOYSA-N 2 1 341.503 3.211 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(-c3ccccc3)nn2)CC1 ZINC000338989722 456889511 /nfs/dbraw/zinc/88/95/11/456889511.db2.gz ARKIKYGYQYUWFA-UHFFFAOYSA-N 2 1 341.503 3.211 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2coc3ccccc23)CCN1C1CC[NH+](C)CC1 ZINC000349310239 456938031 /nfs/dbraw/zinc/93/80/31/456938031.db2.gz ACSGHBIVQURJJH-MRXNPFEDSA-N 2 1 327.472 3.033 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccsc3C)cc2)CC1 ZINC000339189961 456985081 /nfs/dbraw/zinc/98/50/81/456985081.db2.gz QLJDQZWALORTBF-UHFFFAOYSA-N 2 1 343.540 3.484 20 0 EGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000339233445 457007519 /nfs/dbraw/zinc/00/75/19/457007519.db2.gz CFGWOGWEQGISNF-NJAFHUGGSA-N 2 1 335.492 3.319 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2CCC(OC)CC2)[C@H](C)C1 ZINC000349686858 457016950 /nfs/dbraw/zinc/01/69/50/457016950.db2.gz YBDVJOICEPBMRC-OAHAVBBTSA-N 2 1 340.552 3.308 20 0 EGADMP COCc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000356535215 457041347 /nfs/dbraw/zinc/04/13/47/457041347.db2.gz WZFYFPGVQFKILX-RTBURBONSA-N 2 1 340.467 3.380 20 0 EGADMP COCc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000356535215 457041355 /nfs/dbraw/zinc/04/13/55/457041355.db2.gz WZFYFPGVQFKILX-RTBURBONSA-N 2 1 340.467 3.380 20 0 EGADMP COCc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000356535215 457041364 /nfs/dbraw/zinc/04/13/64/457041364.db2.gz WZFYFPGVQFKILX-RTBURBONSA-N 2 1 340.467 3.380 20 0 EGADMP COCc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000356535215 457041374 /nfs/dbraw/zinc/04/13/74/457041374.db2.gz WZFYFPGVQFKILX-RTBURBONSA-N 2 1 340.467 3.380 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000354105996 457065823 /nfs/dbraw/zinc/06/58/23/457065823.db2.gz GKLLTGZPBSFXHQ-CQSZACIVSA-N 2 1 328.859 3.412 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000354105996 457065826 /nfs/dbraw/zinc/06/58/26/457065826.db2.gz GKLLTGZPBSFXHQ-CQSZACIVSA-N 2 1 328.859 3.412 20 0 EGADMP CO[C@@H]1CC[N@H+](CCCCc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000339410696 457097627 /nfs/dbraw/zinc/09/76/27/457097627.db2.gz SFFJCYZDYKKCKZ-IAGOWNOFSA-N 2 1 344.421 3.466 20 0 EGADMP CO[C@@H]1CC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000339410696 457097632 /nfs/dbraw/zinc/09/76/32/457097632.db2.gz SFFJCYZDYKKCKZ-IAGOWNOFSA-N 2 1 344.421 3.466 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C/C=C/c2ccc(F)cc2F)C[C@H](C)O1 ZINC000349904310 457101584 /nfs/dbraw/zinc/10/15/84/457101584.db2.gz JHLDZVDOVTXYNO-AXHPFZFWSA-N 2 1 338.442 3.457 20 0 EGADMP Cc1ccccc1-n1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)nn1 ZINC000342092422 457105058 /nfs/dbraw/zinc/10/50/58/457105058.db2.gz XGJUAQXHWVFBOH-KRWDZBQOSA-N 2 1 341.503 3.177 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccccc1OCc1ccccn1 ZINC000346681960 457109226 /nfs/dbraw/zinc/10/92/26/457109226.db2.gz NTBKZMVSMCSRLS-LJQANCHMSA-N 2 1 327.472 3.466 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccccc1OCc1ccccn1 ZINC000346681960 457109230 /nfs/dbraw/zinc/10/92/30/457109230.db2.gz NTBKZMVSMCSRLS-LJQANCHMSA-N 2 1 327.472 3.466 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342113207 457113711 /nfs/dbraw/zinc/11/37/11/457113711.db2.gz BLUXQQUYLXTHMN-TWKWOARYSA-N 2 1 337.467 3.226 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C/C=C\c1ccc(F)cc1F ZINC000349974674 457128382 /nfs/dbraw/zinc/12/83/82/457128382.db2.gz MWLRFIQXYMHXQW-QOPWDLMFSA-N 2 1 336.426 3.162 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C/C=C\c1ccc(F)cc1F ZINC000349974674 457128392 /nfs/dbraw/zinc/12/83/92/457128392.db2.gz MWLRFIQXYMHXQW-QOPWDLMFSA-N 2 1 336.426 3.162 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3ccccc3C(F)(F)F)C[C@@H]21 ZINC000342143767 457133629 /nfs/dbraw/zinc/13/36/29/457133629.db2.gz QSBKRUAXLCKDAK-KCQAQPDRSA-N 2 1 328.378 3.143 20 0 EGADMP COCCSCCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000362913190 457152380 /nfs/dbraw/zinc/15/23/80/457152380.db2.gz PUVUYVBXMQGVJY-SFHVURJKSA-N 2 1 328.566 3.200 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000359932407 457155284 /nfs/dbraw/zinc/15/52/84/457155284.db2.gz GAPBTCWPVPUFOA-OPYAIIAOSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000359932407 457155286 /nfs/dbraw/zinc/15/52/86/457155286.db2.gz GAPBTCWPVPUFOA-OPYAIIAOSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000359932407 457155289 /nfs/dbraw/zinc/15/52/89/457155289.db2.gz GAPBTCWPVPUFOA-OPYAIIAOSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000359932407 457155291 /nfs/dbraw/zinc/15/52/91/457155291.db2.gz GAPBTCWPVPUFOA-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000359932407 457155295 /nfs/dbraw/zinc/15/52/95/457155295.db2.gz GAPBTCWPVPUFOA-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000359932405 457155454 /nfs/dbraw/zinc/15/54/54/457155454.db2.gz GAPBTCWPVPUFOA-LQWHRVPQSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000359932405 457155459 /nfs/dbraw/zinc/15/54/59/457155459.db2.gz GAPBTCWPVPUFOA-LQWHRVPQSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000359932405 457155463 /nfs/dbraw/zinc/15/54/63/457155463.db2.gz GAPBTCWPVPUFOA-LQWHRVPQSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000359932405 457155467 /nfs/dbraw/zinc/15/54/67/457155467.db2.gz GAPBTCWPVPUFOA-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000359932405 457155472 /nfs/dbraw/zinc/15/54/72/457155472.db2.gz GAPBTCWPVPUFOA-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000354444843 457226860 /nfs/dbraw/zinc/22/68/60/457226860.db2.gz YJTBHHCAFNWWDM-LMMKCTJWSA-N 2 1 343.515 3.059 20 0 EGADMP C[NH2+]CC1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3n2C)CC1 ZINC000347099531 457228061 /nfs/dbraw/zinc/22/80/61/457228061.db2.gz KZAJBEGUMISYTN-UHFFFAOYSA-N 2 1 340.393 3.024 20 0 EGADMP CC(C)[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354658326 457302316 /nfs/dbraw/zinc/30/23/16/457302316.db2.gz QRFHXNRTXNENFN-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP COc1cccc([C@H](C)[NH+]2CCN(CC[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000351545870 457304055 /nfs/dbraw/zinc/30/40/55/457304055.db2.gz SIECQJCMOFEKQY-AZUAARDMSA-N 2 1 345.531 3.248 20 0 EGADMP Cc1cc(N2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000354708284 457314406 /nfs/dbraw/zinc/31/44/06/457314406.db2.gz DSWHOIAITBWZAP-KRWDZBQOSA-N 2 1 338.499 3.148 20 0 EGADMP Cc1cc(N2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000354708284 457314410 /nfs/dbraw/zinc/31/44/10/457314410.db2.gz DSWHOIAITBWZAP-KRWDZBQOSA-N 2 1 338.499 3.148 20 0 EGADMP Cc1[nH+]ccc(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1Cl ZINC000357173783 457358350 /nfs/dbraw/zinc/35/83/50/457358350.db2.gz PBSVYQPTUOPKOQ-CQSZACIVSA-N 2 1 345.874 3.298 20 0 EGADMP Cc1[nH+]ccc(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1Cl ZINC000357173783 457358357 /nfs/dbraw/zinc/35/83/57/457358357.db2.gz PBSVYQPTUOPKOQ-CQSZACIVSA-N 2 1 345.874 3.298 20 0 EGADMP c1cc2c(nc[nH+]c2N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)[nH]1 ZINC000360872772 457397442 /nfs/dbraw/zinc/39/74/42/457397442.db2.gz OIJBOBKBBLRRFE-MJGOQNOKSA-N 2 1 347.466 3.449 20 0 EGADMP c1cc2c(nc[nH+]c2N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)[nH]1 ZINC000360872772 457397448 /nfs/dbraw/zinc/39/74/48/457397448.db2.gz OIJBOBKBBLRRFE-MJGOQNOKSA-N 2 1 347.466 3.449 20 0 EGADMP c1cc2c(nc[nH+]c2N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)[nH]1 ZINC000360872774 457397969 /nfs/dbraw/zinc/39/79/69/457397969.db2.gz OIJBOBKBBLRRFE-PKOBYXMFSA-N 2 1 347.466 3.449 20 0 EGADMP c1cc2c(nc[nH+]c2N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)[nH]1 ZINC000360872774 457397975 /nfs/dbraw/zinc/39/79/75/457397975.db2.gz OIJBOBKBBLRRFE-PKOBYXMFSA-N 2 1 347.466 3.449 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000355737758 457412772 /nfs/dbraw/zinc/41/27/72/457412772.db2.gz PXLQGIQOVLPLQB-UHFFFAOYSA-N 3 1 331.548 3.466 20 0 EGADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000355737758 457412781 /nfs/dbraw/zinc/41/27/81/457412781.db2.gz PXLQGIQOVLPLQB-UHFFFAOYSA-N 2 1 331.548 3.466 20 0 EGADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000352496225 457415312 /nfs/dbraw/zinc/41/53/12/457415312.db2.gz SXQLZKTVQSEPMJ-OAHLLOKOSA-N 2 1 343.393 3.237 20 0 EGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000352505206 457423208 /nfs/dbraw/zinc/42/32/08/457423208.db2.gz YWFGVKHVRNVPQU-LJQANCHMSA-N 2 1 329.488 3.016 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])ccc1OCC(F)(F)F ZINC000352536127 457447718 /nfs/dbraw/zinc/44/77/18/457447718.db2.gz ZWUWTOICCPKPPG-CQSZACIVSA-N 2 1 346.393 3.340 20 0 EGADMP CCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000347474864 457451442 /nfs/dbraw/zinc/45/14/42/457451442.db2.gz LEOCEMQTTOCTFP-LPHOPBHVSA-N 2 1 331.504 3.052 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000352539813 457451606 /nfs/dbraw/zinc/45/16/06/457451606.db2.gz CYRSOPAUJQPORF-UHFFFAOYSA-N 2 1 342.487 3.426 20 0 EGADMP CCCCOc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000352546305 457455990 /nfs/dbraw/zinc/45/59/90/457455990.db2.gz SRPBIDVHIUNFSN-FQEVSTJZSA-N 2 1 332.488 3.450 20 0 EGADMP CCCCOc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000352546305 457455996 /nfs/dbraw/zinc/45/59/96/457455996.db2.gz SRPBIDVHIUNFSN-FQEVSTJZSA-N 2 1 332.488 3.450 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000352551407 457461835 /nfs/dbraw/zinc/46/18/35/457461835.db2.gz XMVFKFZAWPSWPR-JCYILVPMSA-N 2 1 336.907 3.413 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000342724772 457480622 /nfs/dbraw/zinc/48/06/22/457480622.db2.gz HIYCEVKWBVILLZ-BXWFABGCSA-N 2 1 329.488 3.388 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342732732 457485333 /nfs/dbraw/zinc/48/53/33/457485333.db2.gz LTUYIXLLVKIWCP-XUVXKRRUSA-N 2 1 343.515 3.118 20 0 EGADMP Cn1c2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc2oc1=O ZINC000352653664 457502619 /nfs/dbraw/zinc/50/26/19/457502619.db2.gz YWKVSVAVEOZJDY-UHFFFAOYSA-N 2 1 343.471 3.018 20 0 EGADMP Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)nc1 ZINC000399751857 457510453 /nfs/dbraw/zinc/51/04/53/457510453.db2.gz ARAJWDZGRGLAKZ-BAGYTPMASA-N 2 1 335.495 3.433 20 0 EGADMP C[N@@H+](CCSCc1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370033335 457511014 /nfs/dbraw/zinc/51/10/14/457511014.db2.gz ZCVDXPNIPGJYKJ-HXUWFJFHSA-N 2 1 347.572 3.020 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(Br)ccc1Cl ZINC000401761279 457529432 /nfs/dbraw/zinc/52/94/32/457529432.db2.gz IFPWHODLZRYILU-UHFFFAOYSA-N 2 1 328.641 3.168 20 0 EGADMP CC[N@@H+](CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C)C(C)C ZINC000352688245 457532801 /nfs/dbraw/zinc/53/28/01/457532801.db2.gz WAFYPBCUASJJPK-HKUYNNGSSA-N 2 1 348.535 3.016 20 0 EGADMP COC(=O)[C@@H](CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000425414292 457541670 /nfs/dbraw/zinc/54/16/70/457541670.db2.gz FSNMSICVIVUSPN-QUCCMNQESA-N 2 1 344.499 3.141 20 0 EGADMP COC(=O)[C@@H](CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000425414292 457541680 /nfs/dbraw/zinc/54/16/80/457541680.db2.gz FSNMSICVIVUSPN-QUCCMNQESA-N 2 1 344.499 3.141 20 0 EGADMP COC(=O)[C@H](CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000425414290 457542469 /nfs/dbraw/zinc/54/24/69/457542469.db2.gz FSNMSICVIVUSPN-AZUAARDMSA-N 2 1 344.499 3.141 20 0 EGADMP COC(=O)[C@H](CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000425414290 457542474 /nfs/dbraw/zinc/54/24/74/457542474.db2.gz FSNMSICVIVUSPN-AZUAARDMSA-N 2 1 344.499 3.141 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCO[C@@H]2c2ccccc2)s1 ZINC000352704056 457545363 /nfs/dbraw/zinc/54/53/63/457545363.db2.gz HPBOBMCNGDPWLM-MAUKXSAKSA-N 2 1 331.485 3.072 20 0 EGADMP COc1ccc2oc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cc2c1 ZINC000374257558 457549766 /nfs/dbraw/zinc/54/97/66/457549766.db2.gz ZBYHOZHPZHWAFK-XFQXTVEOSA-N 2 1 344.455 3.125 20 0 EGADMP COc1ccc2oc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cc2c1 ZINC000374257558 457549772 /nfs/dbraw/zinc/54/97/72/457549772.db2.gz ZBYHOZHPZHWAFK-XFQXTVEOSA-N 2 1 344.455 3.125 20 0 EGADMP COc1ccc2oc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cc2c1 ZINC000374257544 457549821 /nfs/dbraw/zinc/54/98/21/457549821.db2.gz ZBYHOZHPZHWAFK-MOXGXCLJSA-N 2 1 344.455 3.125 20 0 EGADMP COc1ccc2oc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cc2c1 ZINC000374257544 457549830 /nfs/dbraw/zinc/54/98/30/457549830.db2.gz ZBYHOZHPZHWAFK-MOXGXCLJSA-N 2 1 344.455 3.125 20 0 EGADMP CSc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000356310029 457566782 /nfs/dbraw/zinc/56/67/82/457566782.db2.gz WQZSVGGCQQTYHU-AWEZNQCLSA-N 2 1 339.574 3.070 20 0 EGADMP CSc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000356310029 457566787 /nfs/dbraw/zinc/56/67/87/457566787.db2.gz WQZSVGGCQQTYHU-AWEZNQCLSA-N 2 1 339.574 3.070 20 0 EGADMP c1cn([C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)nn1 ZINC000425500744 457577949 /nfs/dbraw/zinc/57/79/49/457577949.db2.gz DOEUGLVGXQVAMA-HXUWFJFHSA-N 2 1 339.487 3.101 20 0 EGADMP CC(C)[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000370479119 457658281 /nfs/dbraw/zinc/65/82/81/457658281.db2.gz YZFHRCLFOULDSV-BAGYTPMASA-N 2 1 343.559 3.384 20 0 EGADMP CC(C)[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000370479134 457658341 /nfs/dbraw/zinc/65/83/41/457658341.db2.gz YZFHRCLFOULDSV-HJNYFJLDSA-N 2 1 343.559 3.384 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H]3CCSC3)CC2)cs1 ZINC000370526371 457665962 /nfs/dbraw/zinc/66/59/62/457665962.db2.gz JTDFOZOFWMTJFN-HNNXBMFYSA-N 2 1 339.574 3.260 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000357789896 457690787 /nfs/dbraw/zinc/69/07/87/457690787.db2.gz FSCUZIZFNLOBPK-HBFSDRIKSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000357789896 457690788 /nfs/dbraw/zinc/69/07/88/457690788.db2.gz FSCUZIZFNLOBPK-HBFSDRIKSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000357789896 457690792 /nfs/dbraw/zinc/69/07/92/457690792.db2.gz FSCUZIZFNLOBPK-HBFSDRIKSA-N 2 1 343.515 3.030 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)cc1 ZINC000370671431 457697059 /nfs/dbraw/zinc/69/70/59/457697059.db2.gz RJALRIALHMEXEL-KUHUBIRLSA-N 2 1 347.466 3.487 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCCCC1 ZINC000357813399 457699962 /nfs/dbraw/zinc/69/99/62/457699962.db2.gz GWNLDNDIPUXSAJ-NLWGTHIKSA-N 2 1 343.515 3.203 20 0 EGADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370712381 457704492 /nfs/dbraw/zinc/70/44/92/457704492.db2.gz UYMSEHXIRDKXNZ-UZLBHIALSA-N 2 1 341.499 3.199 20 0 EGADMP CC[N@@H+](CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000361396014 457717355 /nfs/dbraw/zinc/71/73/55/457717355.db2.gz CPTMVAAKVNZOSH-UHFFFAOYSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@]1(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC[NH2+]C1 ZINC000370842143 457727488 /nfs/dbraw/zinc/72/74/88/457727488.db2.gz DTWPAUDJQJFBAX-UWJYYQICSA-N 2 1 343.515 3.067 20 0 EGADMP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000358039242 457747296 /nfs/dbraw/zinc/74/72/96/457747296.db2.gz URYDCCCLPVQRAB-INIZCTEOSA-N 2 1 346.814 3.175 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000433120937 457761320 /nfs/dbraw/zinc/76/13/20/457761320.db2.gz POLIMXXVWZRCCE-WOJBJXKFSA-N 2 1 343.515 3.203 20 0 EGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000443641825 457794867 /nfs/dbraw/zinc/79/48/67/457794867.db2.gz MJSQJIHVFPYCRS-BDKRGJGYSA-N 2 1 342.527 3.451 20 0 EGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000443641825 457794873 /nfs/dbraw/zinc/79/48/73/457794873.db2.gz MJSQJIHVFPYCRS-BDKRGJGYSA-N 2 1 342.527 3.451 20 0 EGADMP Clc1sccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000361563776 457800195 /nfs/dbraw/zinc/80/01/95/457800195.db2.gz LBWYMNOKZDDEKK-UHFFFAOYSA-N 2 1 328.909 3.336 20 0 EGADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000433317743 457809193 /nfs/dbraw/zinc/80/91/93/457809193.db2.gz LYUOFNJVRHHXTN-FQEVSTJZSA-N 2 1 347.547 3.260 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000433347963 457817491 /nfs/dbraw/zinc/81/74/91/457817491.db2.gz QVSGCLRWVGMNII-QGZVFWFLSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)OC(=O)CCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000361676813 457818777 /nfs/dbraw/zinc/81/87/77/457818777.db2.gz AUJNJNBZTSZUOP-WOJBJXKFSA-N 2 1 344.499 3.315 20 0 EGADMP CC(C)OC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000361676813 457818778 /nfs/dbraw/zinc/81/87/78/457818778.db2.gz AUJNJNBZTSZUOP-WOJBJXKFSA-N 2 1 344.499 3.315 20 0 EGADMP CC(C)OC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000361676813 457818779 /nfs/dbraw/zinc/81/87/79/457818779.db2.gz AUJNJNBZTSZUOP-WOJBJXKFSA-N 2 1 344.499 3.315 20 0 EGADMP CC(C)OC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000361676813 457818780 /nfs/dbraw/zinc/81/87/80/457818780.db2.gz AUJNJNBZTSZUOP-WOJBJXKFSA-N 2 1 344.499 3.315 20 0 EGADMP CC(C)OC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000361676813 457818781 /nfs/dbraw/zinc/81/87/81/457818781.db2.gz AUJNJNBZTSZUOP-WOJBJXKFSA-N 2 1 344.499 3.315 20 0 EGADMP Cc1cc[nH+]c(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c1 ZINC000433432860 457832075 /nfs/dbraw/zinc/83/20/75/457832075.db2.gz JSWXIOQDRMLQLS-UHFFFAOYSA-N 2 1 329.419 3.484 20 0 EGADMP CC(C)Oc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371292048 457851600 /nfs/dbraw/zinc/85/16/00/457851600.db2.gz ARZCULMCOFAEDY-YZGWKJHDSA-N 2 1 332.488 3.157 20 0 EGADMP CC(C)Oc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371292048 457851603 /nfs/dbraw/zinc/85/16/03/457851603.db2.gz ARZCULMCOFAEDY-YZGWKJHDSA-N 2 1 332.488 3.157 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000411321820 457857460 /nfs/dbraw/zinc/85/74/60/457857460.db2.gz JBPWLOCAQLPICB-VQTJNVASSA-N 2 1 346.540 3.379 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CC45CCOCC5)[C@H]3C2)cc1 ZINC000433776111 457882971 /nfs/dbraw/zinc/88/29/71/457882971.db2.gz XCBRIEGBCRLNJE-TUFLPTIASA-N 2 1 340.511 3.303 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)[C@@H](O)C(F)(F)F ZINC000366690944 457887225 /nfs/dbraw/zinc/88/72/25/457887225.db2.gz BGNTUWGNIWRRHJ-ARLBYUKCSA-N 2 1 336.442 3.321 20 0 EGADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411475701 457898199 /nfs/dbraw/zinc/89/81/99/457898199.db2.gz TUXBPVXGLXYKMR-PMACEKPBSA-N 2 1 341.499 3.029 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(C)c1ccccc1 ZINC000411516056 457909542 /nfs/dbraw/zinc/90/95/42/457909542.db2.gz JBHOWIOOEIILMB-OKZBNKHCSA-N 2 1 343.515 3.281 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)N(C)c1ccccc1 ZINC000411516056 457909550 /nfs/dbraw/zinc/90/95/50/457909550.db2.gz JBHOWIOOEIILMB-OKZBNKHCSA-N 2 1 343.515 3.281 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000411661079 457941475 /nfs/dbraw/zinc/94/14/75/457941475.db2.gz LMOQSYXXVPBYRT-GHTZIAJQSA-N 2 1 344.499 3.052 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(OC)c2)[C@H](C)C1 ZINC000358343749 457947248 /nfs/dbraw/zinc/94/72/48/457947248.db2.gz UFTNQOWMRCRXMZ-YLJYHZDGSA-N 2 1 334.504 3.230 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC1 ZINC000427161097 457950950 /nfs/dbraw/zinc/95/09/50/457950950.db2.gz DXBVILNJRCLLMH-XLIONFOSSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000427161097 457950958 /nfs/dbraw/zinc/95/09/58/457950958.db2.gz DXBVILNJRCLLMH-XLIONFOSSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000427161097 457950963 /nfs/dbraw/zinc/95/09/63/457950963.db2.gz DXBVILNJRCLLMH-XLIONFOSSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000367366508 457950960 /nfs/dbraw/zinc/95/09/60/457950960.db2.gz ANZCVYTZPDAFHZ-CTWPCTMYSA-N 2 1 343.515 3.076 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CO)CC(F)(F)F)cc1 ZINC000358368342 457959978 /nfs/dbraw/zinc/95/99/78/457959978.db2.gz NHDQUWGHAHDJEE-RISCZKNCSA-N 2 1 327.350 3.145 20 0 EGADMP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358506370 458047007 /nfs/dbraw/zinc/04/70/07/458047007.db2.gz JRXPEYAKFHBGLI-FQEVSTJZSA-N 2 1 349.478 3.442 20 0 EGADMP c1ccc(C(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c2ccccc2)cc1 ZINC000428029881 458068337 /nfs/dbraw/zinc/06/83/37/458068337.db2.gz HARUPTLNZHKMJL-NHCUHLMSSA-N 2 1 336.479 3.476 20 0 EGADMP c1ccc(C(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c2ccccc2)cc1 ZINC000428029881 458068344 /nfs/dbraw/zinc/06/83/44/458068344.db2.gz HARUPTLNZHKMJL-NHCUHLMSSA-N 2 1 336.479 3.476 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412145648 458106800 /nfs/dbraw/zinc/10/68/00/458106800.db2.gz DFPOPGPSTGJAGO-IBGZPJMESA-N 2 1 343.515 3.086 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000435372862 458122520 /nfs/dbraw/zinc/12/25/20/458122520.db2.gz SUFUVKBZHZYLRO-TZMCWYRMSA-N 2 1 346.393 3.196 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000435376148 458126051 /nfs/dbraw/zinc/12/60/51/458126051.db2.gz PUCWJYDVXQDJCX-CZUORRHYSA-N 2 1 346.906 3.371 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)cc2)cs1 ZINC000435376939 458127002 /nfs/dbraw/zinc/12/70/02/458127002.db2.gz WKZHRQOUOAJDBX-BBRMVZONSA-N 2 1 331.485 3.200 20 0 EGADMP CC(C)c1nc(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n[nH]1 ZINC000428362852 458128729 /nfs/dbraw/zinc/12/87/29/458128729.db2.gz JTIZMYUSPKCYPO-INIZCTEOSA-N 2 1 333.524 3.405 20 0 EGADMP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC000435386537 458131577 /nfs/dbraw/zinc/13/15/77/458131577.db2.gz XEYHCFVBXFYSLJ-IBGZPJMESA-N 2 1 340.467 3.445 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC000435386537 458131582 /nfs/dbraw/zinc/13/15/82/458131582.db2.gz XEYHCFVBXFYSLJ-IBGZPJMESA-N 2 1 340.467 3.445 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000369298130 458163606 /nfs/dbraw/zinc/16/36/06/458163606.db2.gz JPYLPWYOADDLSP-SFHVURJKSA-N 2 1 331.435 3.402 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000369298130 458163609 /nfs/dbraw/zinc/16/36/09/458163609.db2.gz JPYLPWYOADDLSP-SFHVURJKSA-N 2 1 331.435 3.402 20 0 EGADMP CC[C@H](CC1CCCC1)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369334847 458176261 /nfs/dbraw/zinc/17/62/61/458176261.db2.gz JEWNDFRUIQKCAH-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](CC1CCCC1)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369334847 458176267 /nfs/dbraw/zinc/17/62/67/458176267.db2.gz JEWNDFRUIQKCAH-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)[C@H]1C ZINC000435726760 458190848 /nfs/dbraw/zinc/19/08/48/458190848.db2.gz RUMWWKSPCISDTC-CAMMJAKZSA-N 2 1 336.520 3.351 20 0 EGADMP CC(C)[C@@H](C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000376098310 458195171 /nfs/dbraw/zinc/19/51/71/458195171.db2.gz VFMJZSWUIOUGQT-LEWJYISDSA-N 2 1 329.532 3.138 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435756229 458197825 /nfs/dbraw/zinc/19/78/25/458197825.db2.gz PBUCIXKNMBWTSC-LJQANCHMSA-N 2 1 331.504 3.133 20 0 EGADMP Cc1nn(C)c(Cl)c1CNC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000376145347 458212075 /nfs/dbraw/zinc/21/20/75/458212075.db2.gz ALQKWSJDZYKOOQ-LJQANCHMSA-N 2 1 346.906 3.384 20 0 EGADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000435877042 458216686 /nfs/dbraw/zinc/21/66/86/458216686.db2.gz MVCSQNWXWYJINM-AWEZNQCLSA-N 2 1 334.851 3.179 20 0 EGADMP COC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCCC1 ZINC000446825799 458232659 /nfs/dbraw/zinc/23/26/59/458232659.db2.gz KVDNFLVBUQUCAJ-TZIWHRDSSA-N 2 1 330.516 3.346 20 0 EGADMP C[N@@H+](CCCO[C@@H]1CCCCO1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000358828783 458243326 /nfs/dbraw/zinc/24/33/26/458243326.db2.gz LIOKMSQJMLNQLX-LEWJYISDSA-N 2 1 346.515 3.374 20 0 EGADMP C[NH+](CCCO[C@@H]1CCCCO1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000358828783 458243334 /nfs/dbraw/zinc/24/33/34/458243334.db2.gz LIOKMSQJMLNQLX-LEWJYISDSA-N 2 1 346.515 3.374 20 0 EGADMP C[NH+](CCCO[C@@H]1CCCCO1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000358828783 458243339 /nfs/dbraw/zinc/24/33/39/458243339.db2.gz LIOKMSQJMLNQLX-LEWJYISDSA-N 2 1 346.515 3.374 20 0 EGADMP CC(C)[C@H]([NH3+])CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000429141390 458280295 /nfs/dbraw/zinc/28/02/95/458280295.db2.gz KYBVERGLZAQSSG-HXUWFJFHSA-N 2 1 339.483 3.032 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1 ZINC000429147694 458282156 /nfs/dbraw/zinc/28/21/56/458282156.db2.gz CCCYOYSPPBKKCF-APWZRJJASA-N 2 1 331.504 3.118 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1)C(C)C ZINC000429153502 458282205 /nfs/dbraw/zinc/28/22/05/458282205.db2.gz VSRGPPHWPIKESM-QFBILLFUSA-N 2 1 331.504 3.116 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC000436489806 458313348 /nfs/dbraw/zinc/31/33/48/458313348.db2.gz WAOBUVXLJVAVKW-TYPHKJRUSA-N 2 1 330.516 3.176 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000436489806 458313352 /nfs/dbraw/zinc/31/33/52/458313352.db2.gz WAOBUVXLJVAVKW-TYPHKJRUSA-N 2 1 330.516 3.176 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000436489806 458313358 /nfs/dbraw/zinc/31/33/58/458313358.db2.gz WAOBUVXLJVAVKW-TYPHKJRUSA-N 2 1 330.516 3.176 20 0 EGADMP C[NH+](C)CCOCC[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000447603091 458320647 /nfs/dbraw/zinc/32/06/47/458320647.db2.gz WNCZCZSXQHNXRQ-HXUWFJFHSA-N 2 1 339.439 3.085 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000459396324 458357882 /nfs/dbraw/zinc/35/78/82/458357882.db2.gz WGMQWWFCJBWETF-AWEZNQCLSA-N 2 1 327.472 3.313 20 0 EGADMP COCc1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)no1 ZINC000459431953 458369035 /nfs/dbraw/zinc/36/90/35/458369035.db2.gz GDOYSJLHUUNSGU-AEFFLSMTSA-N 2 1 343.471 3.211 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC[C@H](C)c3ccccc3)C2)CC1 ZINC000373207029 458430138 /nfs/dbraw/zinc/43/01/38/458430138.db2.gz CATXFAQCSSTVOP-PZJWPPBQSA-N 2 1 329.532 3.281 20 0 EGADMP C[C@H](CCNC(=O)c1ccc([C@H](C)[NH3+])cc1)[N@@H+](C)Cc1ccccc1 ZINC000423442613 458433865 /nfs/dbraw/zinc/43/38/65/458433865.db2.gz ZHRPHNYBISDYSI-SJORKVTESA-N 2 1 339.483 3.347 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CNCCN1C)c1ccc(SC2CCCC2)cc1 ZINC000423485435 458441124 /nfs/dbraw/zinc/44/11/24/458441124.db2.gz ARDQDSWIMDPFHC-WBVHZDCISA-N 2 1 333.545 3.276 20 0 EGADMP COc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)ccc1OC(F)F ZINC000423532768 458453339 /nfs/dbraw/zinc/45/33/39/458453339.db2.gz RVVMSCYLVRLETI-BXUZGUMPSA-N 2 1 328.403 3.465 20 0 EGADMP Cc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000459729681 458459694 /nfs/dbraw/zinc/45/96/94/458459694.db2.gz DIAKDHONJOKMFU-KRWDZBQOSA-N 2 1 326.488 3.217 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000459732483 458460908 /nfs/dbraw/zinc/46/09/08/458460908.db2.gz GABZDICMTQNREH-CIAFKFPVSA-N 3 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000459732483 458460910 /nfs/dbraw/zinc/46/09/10/458460910.db2.gz GABZDICMTQNREH-CIAFKFPVSA-N 3 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000459732483 458460911 /nfs/dbraw/zinc/46/09/11/458460911.db2.gz GABZDICMTQNREH-CIAFKFPVSA-N 3 1 341.543 3.219 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430574514 458463269 /nfs/dbraw/zinc/46/32/69/458463269.db2.gz SVXQDDDAYODBJL-LPHOPBHVSA-N 2 1 337.467 3.498 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430574514 458463272 /nfs/dbraw/zinc/46/32/72/458463272.db2.gz SVXQDDDAYODBJL-LPHOPBHVSA-N 2 1 337.467 3.498 20 0 EGADMP COc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(SC)cc1OC ZINC000459739177 458465082 /nfs/dbraw/zinc/46/50/82/458465082.db2.gz SGOXBODXQMAUHS-AWEZNQCLSA-N 2 1 338.517 3.247 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1)c1ccc2ccccc2c1 ZINC000430616739 458471753 /nfs/dbraw/zinc/47/17/53/458471753.db2.gz HINNWCSEANQNNN-ULQDDVLXSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccc2ccccc2c1 ZINC000430616739 458471756 /nfs/dbraw/zinc/47/17/56/458471756.db2.gz HINNWCSEANQNNN-ULQDDVLXSA-N 2 1 339.483 3.076 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)[C@H]3CCC[C@H]32)cc1 ZINC000453117523 458519063 /nfs/dbraw/zinc/51/90/63/458519063.db2.gz JJYZJWHODOODJB-RZTRGMPVSA-N 2 1 326.484 3.339 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438100589 458532013 /nfs/dbraw/zinc/53/20/13/458532013.db2.gz QGTLPLMLNRLODN-KRWDZBQOSA-N 2 1 348.516 3.071 20 0 EGADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424159942 458574130 /nfs/dbraw/zinc/57/41/30/458574130.db2.gz WJCHVJIERNRVLY-MOPGFXCFSA-N 2 1 346.519 3.260 20 0 EGADMP C[N@@H+](CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)Cc1ccccc1 ZINC000493891693 458595841 /nfs/dbraw/zinc/59/58/41/458595841.db2.gz OWNLHFMVDUNMCN-HSALFYBXSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1ncc(-c3ccccc3F)o1)CC[NH2+]CC2 ZINC000424287432 458603673 /nfs/dbraw/zinc/60/36/73/458603673.db2.gz ITQPHMQZNPSZSP-CQSZACIVSA-N 2 1 329.419 3.445 20 0 EGADMP COC(=O)CC1CC([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000424300207 458609283 /nfs/dbraw/zinc/60/92/83/458609283.db2.gz JWKYZXPUQOUBHJ-HSFDUWRESA-N 2 1 344.499 3.218 20 0 EGADMP COc1ccc2nc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)sc2c1 ZINC000424388578 458632266 /nfs/dbraw/zinc/63/22/66/458632266.db2.gz ZEXVLPUPZWJKRO-CYBMUJFWSA-N 2 1 331.485 3.269 20 0 EGADMP CCc1cc(OC)ccc1C[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000502281803 458643377 /nfs/dbraw/zinc/64/33/77/458643377.db2.gz AZCRQVDAIVTKSR-FQEVSTJZSA-N 2 1 334.504 3.190 20 0 EGADMP Cc1cncc([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000546645742 458651024 /nfs/dbraw/zinc/65/10/24/458651024.db2.gz QJEKSVFQBDFDKN-NQIIRXRSSA-N 2 1 338.499 3.029 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)[C@H]2CCC[C@@H]21 ZINC000462810502 458657042 /nfs/dbraw/zinc/65/70/42/458657042.db2.gz CVWPBIOHVFFTAM-NBMJBFSESA-N 2 1 331.479 3.114 20 0 EGADMP C[N@H+]1CCC[C@H]1CCN(CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000503061951 458690844 /nfs/dbraw/zinc/69/08/44/458690844.db2.gz HUERBJYDIHFRMA-KRWDZBQOSA-N 2 1 335.467 3.349 20 0 EGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccccc2F)s1 ZINC000547280313 458713911 /nfs/dbraw/zinc/71/39/11/458713911.db2.gz WYLOYRLRTCGYSL-SCLBCKFNSA-N 2 1 334.460 3.271 20 0 EGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccccc2F)s1 ZINC000547280313 458713918 /nfs/dbraw/zinc/71/39/18/458713918.db2.gz WYLOYRLRTCGYSL-SCLBCKFNSA-N 2 1 334.460 3.271 20 0 EGADMP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cnn1C(C)(C)C ZINC000432415004 458735794 /nfs/dbraw/zinc/73/57/94/458735794.db2.gz BDZVBWIRKMALDM-CVEARBPZSA-N 2 1 336.524 3.098 20 0 EGADMP Cc1c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cnn1C(C)(C)C ZINC000432415004 458735799 /nfs/dbraw/zinc/73/57/99/458735799.db2.gz BDZVBWIRKMALDM-CVEARBPZSA-N 2 1 336.524 3.098 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C12CCCCC2 ZINC000432430662 458738803 /nfs/dbraw/zinc/73/88/03/458738803.db2.gz UDXNGSVNSGHPTB-CEXWTWQISA-N 2 1 338.536 3.205 20 0 EGADMP C[C@@H]1C[N@H+](C/C=C\c2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000530336492 458750750 /nfs/dbraw/zinc/75/07/50/458750750.db2.gz RSTCQIMSEMECOG-PTUVJSPFSA-N 2 1 347.934 3.311 20 0 EGADMP C[C@@H]1C[N@@H+](C/C=C\c2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000530336492 458750752 /nfs/dbraw/zinc/75/07/52/458750752.db2.gz RSTCQIMSEMECOG-PTUVJSPFSA-N 2 1 347.934 3.311 20 0 EGADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530355234 458753722 /nfs/dbraw/zinc/75/37/22/458753722.db2.gz MJMFPBXOATUTBW-LBPRGKRZSA-N 2 1 327.457 3.140 20 0 EGADMP Cc1ccc2[nH]c(C[N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cc2c1C ZINC000473137404 458822004 /nfs/dbraw/zinc/82/20/04/458822004.db2.gz HVUICSWNDFOPSO-MRXNPFEDSA-N 2 1 343.515 3.309 20 0 EGADMP C[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000440617872 458833484 /nfs/dbraw/zinc/83/34/84/458833484.db2.gz ULGXWIFAOWEIJR-NWDGAFQWSA-N 2 1 330.398 3.171 20 0 EGADMP C[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000440617872 458833486 /nfs/dbraw/zinc/83/34/86/458833486.db2.gz ULGXWIFAOWEIJR-NWDGAFQWSA-N 2 1 330.398 3.171 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H](C)c3ccc(F)cc3)CC2)CC1 ZINC000441052894 458881797 /nfs/dbraw/zinc/88/17/97/458881797.db2.gz UYHRNTCYGVTZPB-KRWDZBQOSA-N 2 1 333.495 3.377 20 0 EGADMP Cc1cc(C)cc(OCCC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000441268420 458908213 /nfs/dbraw/zinc/90/82/13/458908213.db2.gz XQIVOHIIYMIUJV-HMXCVIKNSA-N 2 1 346.515 3.256 20 0 EGADMP CCCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000555774568 458910945 /nfs/dbraw/zinc/91/09/45/458910945.db2.gz CGJLHUWYTVVSDL-UHFFFAOYSA-N 2 1 337.552 3.410 20 0 EGADMP Cc1nnsc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000555880518 458917915 /nfs/dbraw/zinc/91/79/15/458917915.db2.gz OVLOBLRCNQQBNW-UHFFFAOYSA-N 2 1 330.501 3.191 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495716307 458928871 /nfs/dbraw/zinc/92/88/71/458928871.db2.gz KKFYUVGVQYRLPH-LPHOPBHVSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495716307 458928877 /nfs/dbraw/zinc/92/88/77/458928877.db2.gz KKFYUVGVQYRLPH-LPHOPBHVSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495716307 458928884 /nfs/dbraw/zinc/92/88/84/458928884.db2.gz KKFYUVGVQYRLPH-LPHOPBHVSA-N 2 1 339.524 3.098 20 0 EGADMP COC[C@@H]1CCCC[NH+](CC(C)C[N@@H+]2CCCC[C@@H](COC)C2)C1 ZINC000467123378 458952304 /nfs/dbraw/zinc/95/23/04/458952304.db2.gz YBEIAHJVTAGLQH-WOJBJXKFSA-N 2 1 340.552 3.120 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000519819537 459010938 /nfs/dbraw/zinc/01/09/38/459010938.db2.gz MCGDJWWIVQUEFS-UHFFFAOYSA-N 2 1 334.851 3.244 20 0 EGADMP C[C@H]1CC[N@H+](CCNC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000531984086 459012113 /nfs/dbraw/zinc/01/21/13/459012113.db2.gz NZXGRMLGMMCXDR-INIZCTEOSA-N 2 1 335.923 3.236 20 0 EGADMP C[C@H]1CC[N@@H+](CCNC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000531984086 459012120 /nfs/dbraw/zinc/01/21/20/459012120.db2.gz NZXGRMLGMMCXDR-INIZCTEOSA-N 2 1 335.923 3.236 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1C ZINC000556923555 459032119 /nfs/dbraw/zinc/03/21/19/459032119.db2.gz LGTBDHMDAALERW-WMZOPIPTSA-N 2 1 331.504 3.485 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1C ZINC000556923555 459032121 /nfs/dbraw/zinc/03/21/21/459032121.db2.gz LGTBDHMDAALERW-WMZOPIPTSA-N 2 1 331.504 3.485 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000442762043 459033489 /nfs/dbraw/zinc/03/34/89/459033489.db2.gz DSPXYIBSAPKKAF-GJYPPUQNSA-N 2 1 348.450 3.495 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000442762043 459033493 /nfs/dbraw/zinc/03/34/93/459033493.db2.gz DSPXYIBSAPKKAF-GJYPPUQNSA-N 2 1 348.450 3.495 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000556939616 459035241 /nfs/dbraw/zinc/03/52/41/459035241.db2.gz HHJLCBBATNKTKH-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc3[nH]ccc3c2)[C@H](C)C1 ZINC000442806184 459040323 /nfs/dbraw/zinc/04/03/23/459040323.db2.gz BIWNKCBPVBUJKF-XLIONFOSSA-N 2 1 343.515 3.437 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000442921628 459061358 /nfs/dbraw/zinc/06/13/58/459061358.db2.gz IXFUCDUUGVQWLN-GFCCVEGCSA-N 2 1 334.357 3.328 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000557336958 459065715 /nfs/dbraw/zinc/06/57/15/459065715.db2.gz XQTGNOCFWMZPIC-OAQYLSRUSA-N 2 1 329.532 3.110 20 0 EGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000443057568 459079890 /nfs/dbraw/zinc/07/98/90/459079890.db2.gz HAEYWRBCUUIGKP-DLBZAZTESA-N 2 1 339.483 3.078 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060892 459080376 /nfs/dbraw/zinc/08/03/76/459080376.db2.gz QAVGXAASXAGAMJ-NWDGAFQWSA-N 2 1 344.286 3.381 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000443064979 459082357 /nfs/dbraw/zinc/08/23/57/459082357.db2.gz ZEUXGOXJZSZXLM-OAHLLOKOSA-N 2 1 342.462 3.061 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000443077932 459086149 /nfs/dbraw/zinc/08/61/49/459086149.db2.gz VJEYYPPSIOACHD-ZDUSSCGKSA-N 2 1 343.393 3.095 20 0 EGADMP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000532507271 459102351 /nfs/dbraw/zinc/10/23/51/459102351.db2.gz KOSRFDUXQNSQMV-AZUAARDMSA-N 2 1 348.531 3.465 20 0 EGADMP CC(C)[NH2+]CCC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000558167981 459136198 /nfs/dbraw/zinc/13/61/98/459136198.db2.gz ZRKUCPZHFCOVCA-QGZVFWFLSA-N 2 1 331.504 3.065 20 0 EGADMP Brc1cccc2c1C[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000578249873 459169933 /nfs/dbraw/zinc/16/99/33/459169933.db2.gz DNZCLVCIHLVXIV-UKRRQHHQSA-N 2 1 349.316 3.380 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000480724538 459215521 /nfs/dbraw/zinc/21/55/21/459215521.db2.gz VTIAUQCHFMNVMG-IIAWOOMASA-N 2 1 341.421 3.214 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000480724538 459215526 /nfs/dbraw/zinc/21/55/26/459215526.db2.gz VTIAUQCHFMNVMG-IIAWOOMASA-N 2 1 341.421 3.214 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000568083327 459224314 /nfs/dbraw/zinc/22/43/14/459224314.db2.gz DBBGDMJFXNJAKE-MAUKXSAKSA-N 2 1 347.503 3.043 20 0 EGADMP CC1(C)CC[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c2ccccc21 ZINC000578640467 459234637 /nfs/dbraw/zinc/23/46/37/459234637.db2.gz XBUCRQXIVORTBL-QGZVFWFLSA-N 2 1 339.487 3.174 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000496625362 459264016 /nfs/dbraw/zinc/26/40/16/459264016.db2.gz SZOWAMZPBKAAJZ-IXDOHACOSA-N 2 1 339.524 3.144 20 0 EGADMP Cc1nn(C)cc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000533739198 459265626 /nfs/dbraw/zinc/26/56/26/459265626.db2.gz XPOZUOOLKDJUCK-VQIMIIECSA-N 2 1 326.488 3.119 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000533865797 459274790 /nfs/dbraw/zinc/27/47/90/459274790.db2.gz AZRQEOBNONMLDK-WBVHZDCISA-N 2 1 348.450 3.390 20 0 EGADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000482102592 459290034 /nfs/dbraw/zinc/29/00/34/459290034.db2.gz TVJXZACDLMVNLK-JFIYKMOQSA-N 2 1 335.923 3.405 20 0 EGADMP Fc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000582122819 459312768 /nfs/dbraw/zinc/31/27/68/459312768.db2.gz DGQLIMHENSYWBC-HZPDHXFCSA-N 2 1 329.419 3.302 20 0 EGADMP CCCCc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000482546200 459314467 /nfs/dbraw/zinc/31/44/67/459314467.db2.gz DCDXDXQPRUJRHY-PXNSSMCTSA-N 2 1 345.531 3.267 20 0 EGADMP CC(C)C(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C(C)C ZINC000560255861 459316029 /nfs/dbraw/zinc/31/60/29/459316029.db2.gz BTLDXJLATFGXFH-FPOVZHCZSA-N 2 1 332.532 3.387 20 0 EGADMP CC(C)C(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)C(C)C ZINC000560255861 459316033 /nfs/dbraw/zinc/31/60/33/459316033.db2.gz BTLDXJLATFGXFH-FPOVZHCZSA-N 2 1 332.532 3.387 20 0 EGADMP CC(C)C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H](O)C[NH+](C)C ZINC000482645680 459318972 /nfs/dbraw/zinc/31/89/72/459318972.db2.gz HZXRTRDDXBODMD-HOTGVXAUSA-N 2 1 347.330 3.463 20 0 EGADMP CC[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C1CCCC1 ZINC000568652717 459324009 /nfs/dbraw/zinc/32/40/09/459324009.db2.gz UVAPSKRRPLNUDR-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000496790170 459324351 /nfs/dbraw/zinc/32/43/51/459324351.db2.gz JHERAZXQRMFRBK-IKGGRYGDSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000496790170 459324358 /nfs/dbraw/zinc/32/43/58/459324358.db2.gz JHERAZXQRMFRBK-IKGGRYGDSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000496790170 459324365 /nfs/dbraw/zinc/32/43/65/459324365.db2.gz JHERAZXQRMFRBK-IKGGRYGDSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000496790170 459324370 /nfs/dbraw/zinc/32/43/70/459324370.db2.gz JHERAZXQRMFRBK-IKGGRYGDSA-N 2 1 339.524 3.048 20 0 EGADMP Cc1cc([NH+]2CCCCCC2)ccc1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000568859785 459357716 /nfs/dbraw/zinc/35/77/16/459357716.db2.gz VIKZXOFMDDJUFO-IBGZPJMESA-N 2 1 331.504 3.242 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000560586843 459377556 /nfs/dbraw/zinc/37/75/56/459377556.db2.gz VZGGARGCUXDRIT-QAPCUYQASA-N 2 1 334.504 3.407 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000560586843 459377560 /nfs/dbraw/zinc/37/75/60/459377560.db2.gz VZGGARGCUXDRIT-QAPCUYQASA-N 2 1 334.504 3.407 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C1CCCCC1 ZINC000484142786 459406668 /nfs/dbraw/zinc/40/66/68/459406668.db2.gz SWBJNRVMIOEGRQ-YYWHXJBOSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)C1CCCCC1 ZINC000484142786 459406675 /nfs/dbraw/zinc/40/66/75/459406675.db2.gz SWBJNRVMIOEGRQ-YYWHXJBOSA-N 2 1 330.516 3.428 20 0 EGADMP CN(C(=O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCCCC1 ZINC000484486029 459415620 /nfs/dbraw/zinc/41/56/20/459415620.db2.gz DIWKIQWVGQIEHW-UHFFFAOYSA-N 2 1 335.536 3.164 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000561396350 459449621 /nfs/dbraw/zinc/44/96/21/459449621.db2.gz HNABQVVNVZXLDI-QZTJIDSGSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1OC ZINC000561396350 459449626 /nfs/dbraw/zinc/44/96/26/459449626.db2.gz HNABQVVNVZXLDI-QZTJIDSGSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1OC ZINC000561396350 459449634 /nfs/dbraw/zinc/44/96/34/459449634.db2.gz HNABQVVNVZXLDI-QZTJIDSGSA-N 2 1 332.488 3.400 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000569460261 459455875 /nfs/dbraw/zinc/45/58/75/459455875.db2.gz FQVBSRSCFFTMJJ-HXUWFJFHSA-N 2 1 337.467 3.399 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000527298400 459624876 /nfs/dbraw/zinc/62/48/76/459624876.db2.gz SAVCBYFQSVTWSH-UHFFFAOYSA-N 2 1 346.384 3.253 20 0 EGADMP Cn1cncc1CCC[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000573383093 459668847 /nfs/dbraw/zinc/66/88/47/459668847.db2.gz HBPFHFWZGRJTHT-UHFFFAOYSA-N 2 1 342.270 3.154 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000573383093 459668853 /nfs/dbraw/zinc/66/88/53/459668853.db2.gz HBPFHFWZGRJTHT-UHFFFAOYSA-N 2 1 342.270 3.154 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000562986869 459687164 /nfs/dbraw/zinc/68/71/64/459687164.db2.gz CPXUFQBMPHXHTH-FUHIMQAGSA-N 2 1 336.495 3.077 20 0 EGADMP C[NH+]1CCN(CCCC[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000584269230 459695639 /nfs/dbraw/zinc/69/56/39/459695639.db2.gz RSMZYILILBBERK-UHFFFAOYSA-N 2 1 336.332 3.172 20 0 EGADMP CCCN(C(=O)CCCC[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000563202094 459737791 /nfs/dbraw/zinc/73/77/91/459737791.db2.gz SXJWHCRLGMTKEU-IBGZPJMESA-N 2 1 331.504 3.019 20 0 EGADMP CC(C)(C)[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000566032284 459795961 /nfs/dbraw/zinc/79/59/61/459795961.db2.gz BBLUGOIAWMVERZ-XUVXKRRUSA-N 2 1 330.516 3.380 20 0 EGADMP CC(C)(C)[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000566032284 459795967 /nfs/dbraw/zinc/79/59/67/459795967.db2.gz BBLUGOIAWMVERZ-XUVXKRRUSA-N 2 1 330.516 3.380 20 0 EGADMP CC(C)(C)[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000566032284 459795973 /nfs/dbraw/zinc/79/59/73/459795973.db2.gz BBLUGOIAWMVERZ-XUVXKRRUSA-N 2 1 330.516 3.380 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000566063382 459800391 /nfs/dbraw/zinc/80/03/91/459800391.db2.gz RQLBPKXAGNSEGY-RHSMWYFYSA-N 2 1 344.421 3.321 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+]C[C@@](C)(O)C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000566115449 459808918 /nfs/dbraw/zinc/80/89/18/459808918.db2.gz JGJSHDHPHDYIDA-HYVNUMGLSA-N 2 1 344.421 3.190 20 0 EGADMP COc1cc(F)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000566339616 459845774 /nfs/dbraw/zinc/84/57/74/459845774.db2.gz XXHLZYUSRYNYTO-OAHLLOKOSA-N 2 1 336.451 3.007 20 0 EGADMP Cc1cncc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000545939553 459875911 /nfs/dbraw/zinc/87/59/11/459875911.db2.gz CVVVTOKNCNDLHN-FUHWJXTLSA-N 2 1 344.528 3.091 20 0 EGADMP OCCCSCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602539598 459988512 /nfs/dbraw/zinc/98/85/12/459988512.db2.gz RSNZDXCVXFFOCB-HKUYNNGSSA-N 2 1 334.529 3.060 20 0 EGADMP OCCCSCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602539598 459988524 /nfs/dbraw/zinc/98/85/24/459988524.db2.gz RSNZDXCVXFFOCB-HKUYNNGSSA-N 2 1 334.529 3.060 20 0 EGADMP CCOC(=O)C1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602620648 460026579 /nfs/dbraw/zinc/02/65/79/460026579.db2.gz ZIIHWORLJUCOLY-PKOBYXMFSA-N 2 1 342.483 3.287 20 0 EGADMP CCOC(=O)C1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602620648 460026587 /nfs/dbraw/zinc/02/65/87/460026587.db2.gz ZIIHWORLJUCOLY-PKOBYXMFSA-N 2 1 342.483 3.287 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c2ccccc21 ZINC000621756297 460051950 /nfs/dbraw/zinc/05/19/50/460051950.db2.gz KLTPIQMUOXHOAE-ICSRJNTNSA-N 2 1 343.515 3.442 20 0 EGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000576160134 460080640 /nfs/dbraw/zinc/08/06/40/460080640.db2.gz XPTFKYAEDAXWCW-OTWHNJEPSA-N 2 1 342.483 3.115 20 0 EGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000576160134 460080645 /nfs/dbraw/zinc/08/06/45/460080645.db2.gz XPTFKYAEDAXWCW-OTWHNJEPSA-N 2 1 342.483 3.115 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1C ZINC000598964812 460106678 /nfs/dbraw/zinc/10/66/78/460106678.db2.gz YRQRYTPHGNUNEP-MRXNPFEDSA-N 2 1 335.492 3.018 20 0 EGADMP C[C@@H](NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000625320074 460125474 /nfs/dbraw/zinc/12/54/74/460125474.db2.gz UYOPORWZIGBLDX-SCTDSRPQSA-N 2 1 343.515 3.106 20 0 EGADMP C[C@@H](NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000625320074 460125483 /nfs/dbraw/zinc/12/54/83/460125483.db2.gz UYOPORWZIGBLDX-SCTDSRPQSA-N 2 1 343.515 3.106 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625801454 460269624 /nfs/dbraw/zinc/26/96/24/460269624.db2.gz SEOJKOMKQDNXJC-FQEVSTJZSA-N 2 1 339.439 3.082 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625801454 460269628 /nfs/dbraw/zinc/26/96/28/460269628.db2.gz SEOJKOMKQDNXJC-FQEVSTJZSA-N 2 1 339.439 3.082 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000615617669 460360212 /nfs/dbraw/zinc/36/02/12/460360212.db2.gz BKRXRNWBSBEGAZ-PZJWPPBQSA-N 2 1 343.515 3.014 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000623086403 460407295 /nfs/dbraw/zinc/40/72/95/460407295.db2.gz ONDSVMWGGXSNPN-UHFFFAOYSA-N 2 1 339.414 3.471 20 0 EGADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1=O)C(C)(C)C ZINC000604774478 460476850 /nfs/dbraw/zinc/47/68/50/460476850.db2.gz WYEMZBQXOZXXPU-QZTJIDSGSA-N 2 1 349.494 3.277 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3ncccc23)[C@H](C)C1 ZINC000634687501 460477832 /nfs/dbraw/zinc/47/78/32/460477832.db2.gz NGXMKUVTUJYRSN-YLJYHZDGSA-N 2 1 341.499 3.461 20 0 EGADMP O[C@]1(C[NH2+]C[C@H]2CCCC(F)(F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634713351 460489794 /nfs/dbraw/zinc/48/97/94/460489794.db2.gz UNPDRSRVJDZORO-ROUUACIJSA-N 2 1 338.442 3.039 20 0 EGADMP O[C@]1(C[NH2+]C[C@H]2CCCC(F)(F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634713351 460489801 /nfs/dbraw/zinc/48/98/01/460489801.db2.gz UNPDRSRVJDZORO-ROUUACIJSA-N 2 1 338.442 3.039 20 0 EGADMP CCC[NH+]1CCC(NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631668117 460501687 /nfs/dbraw/zinc/50/16/87/460501687.db2.gz VSNBRNMXHKLFOE-AZUAARDMSA-N 2 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631668117 460501692 /nfs/dbraw/zinc/50/16/92/460501692.db2.gz VSNBRNMXHKLFOE-AZUAARDMSA-N 3 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631668117 460501697 /nfs/dbraw/zinc/50/16/97/460501697.db2.gz VSNBRNMXHKLFOE-AZUAARDMSA-N 3 1 329.532 3.219 20 0 EGADMP C[N@H+]1CCCC[C@@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000628742025 460520834 /nfs/dbraw/zinc/52/08/34/460520834.db2.gz AGGAFVPXIPWHFI-IBGZPJMESA-N 2 1 343.515 3.134 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623403357 460530402 /nfs/dbraw/zinc/53/04/02/460530402.db2.gz SNMGSTIUFSZJFN-UHFFFAOYSA-N 2 1 349.466 3.130 20 0 EGADMP Cc1ccc2oc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)cc2c1 ZINC000606913125 460759488 /nfs/dbraw/zinc/75/94/88/460759488.db2.gz HFHMUEQRYWODMU-GOSISDBHSA-N 2 1 328.456 3.474 20 0 EGADMP Cc1ccc2ncc(C[N@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)cc2c1 ZINC000629539930 460800931 /nfs/dbraw/zinc/80/09/31/460800931.db2.gz SOHVUXAHRCYUCQ-DSKINZAPSA-N 2 1 339.483 3.262 20 0 EGADMP C[N@@H+](Cc1ccccc1NC[C@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000629583023 460814336 /nfs/dbraw/zinc/81/43/36/460814336.db2.gz ZVUSRCCDFXWURA-FQEVSTJZSA-N 2 1 345.531 3.320 20 0 EGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1C ZINC000624119674 460868765 /nfs/dbraw/zinc/86/87/65/460868765.db2.gz GVHOZSITUICRGH-SJLPKXTDSA-N 2 1 331.504 3.342 20 0 EGADMP C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624121763 460869306 /nfs/dbraw/zinc/86/93/06/460869306.db2.gz CRWKMFSINITCQL-JBACZVJFSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](NC[C@@H]1CCCC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624121763 460869311 /nfs/dbraw/zinc/86/93/11/460869311.db2.gz CRWKMFSINITCQL-JBACZVJFSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](NC[C@@H]1CCCC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624121763 460869316 /nfs/dbraw/zinc/86/93/16/460869316.db2.gz CRWKMFSINITCQL-JBACZVJFSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624121763 460869320 /nfs/dbraw/zinc/86/93/20/460869320.db2.gz CRWKMFSINITCQL-JBACZVJFSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624121763 460869325 /nfs/dbraw/zinc/86/93/25/460869325.db2.gz CRWKMFSINITCQL-JBACZVJFSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624121763 460869330 /nfs/dbraw/zinc/86/93/30/460869330.db2.gz CRWKMFSINITCQL-JBACZVJFSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624121763 460869335 /nfs/dbraw/zinc/86/93/35/460869335.db2.gz CRWKMFSINITCQL-JBACZVJFSA-N 3 1 329.532 3.219 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120994 460869884 /nfs/dbraw/zinc/86/98/84/460869884.db2.gz LHHQEFQMJZTPJH-DLBZAZTESA-N 2 1 331.504 3.288 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)c(Br)cn2)C[C@@H]1C ZINC000628183222 461036130 /nfs/dbraw/zinc/03/61/30/461036130.db2.gz UPRISHQOYQVXLQ-DZGCQCFKSA-N 2 1 340.309 3.457 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3C[C@H]3CC(C)(C)C)CC2)CC1 ZINC000655162157 461106847 /nfs/dbraw/zinc/10/68/47/461106847.db2.gz DQNBEAFQMIVYFW-PKOBYXMFSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1ccc(OCCC[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1C ZINC000652348130 461141971 /nfs/dbraw/zinc/14/19/71/461141971.db2.gz VKWQONPWOQKXMA-IRFCIJBXSA-N 2 1 346.515 3.291 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCc3c(F)cccc3Cl)C2)C1 ZINC000652348217 461142095 /nfs/dbraw/zinc/14/20/95/461142095.db2.gz XRSQIZQUJJOQAT-PMUMKWKESA-N 2 1 340.870 3.240 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3coc(-c4cccs4)n3)C2)C1 ZINC000652348826 461142875 /nfs/dbraw/zinc/14/28/75/461142875.db2.gz SKJJLNNFPOYEAB-SQWLQELKSA-N 2 1 347.484 3.121 20 0 EGADMP Cc1cc(C)cc(OCCC[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652347225 461143087 /nfs/dbraw/zinc/14/30/87/461143087.db2.gz WPXOVOAZSWRVJJ-IRFCIJBXSA-N 2 1 346.515 3.291 20 0 EGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652353847 461150302 /nfs/dbraw/zinc/15/03/02/461150302.db2.gz FLODIMFGALTCNB-UAGQMJEPSA-N 2 1 349.544 3.033 20 0 EGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652353847 461150310 /nfs/dbraw/zinc/15/03/10/461150310.db2.gz FLODIMFGALTCNB-UAGQMJEPSA-N 2 1 349.544 3.033 20 0 EGADMP Cc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])C2CC2)cc1 ZINC000652353808 461150473 /nfs/dbraw/zinc/15/04/73/461150473.db2.gz DMFZTMWRBMJCRY-LRQRDZAKSA-N 2 1 343.515 3.012 20 0 EGADMP Cc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])C2CC2)cc1 ZINC000652353808 461150483 /nfs/dbraw/zinc/15/04/83/461150483.db2.gz DMFZTMWRBMJCRY-LRQRDZAKSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)[C@@H]1CC[NH3+] ZINC000652355142 461150931 /nfs/dbraw/zinc/15/09/31/461150931.db2.gz QBIPSWCYYOHGQQ-CZUORRHYSA-N 2 1 348.878 3.382 20 0 EGADMP C[C@H]1CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)[C@H]1CC[NH3+] ZINC000652354737 461151443 /nfs/dbraw/zinc/15/14/43/461151443.db2.gz GWSJHSTXZFMCFI-BBRMVZONSA-N 2 1 348.878 3.382 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2nc3ccccc3s2)C1 ZINC000652363989 461157724 /nfs/dbraw/zinc/15/77/24/461157724.db2.gz UFESOUOHYLGHEL-FVQBIDKESA-N 2 1 331.485 3.157 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)on2)cc1 ZINC000662284873 461164589 /nfs/dbraw/zinc/16/45/89/461164589.db2.gz ZTSKUMLVPCCWOB-YCPHGPKFSA-N 2 1 329.444 3.155 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290405 461168578 /nfs/dbraw/zinc/16/85/78/461168578.db2.gz UGDMBAPYERHQBW-INIZCTEOSA-N 2 1 349.906 3.299 20 0 EGADMP Fc1cccc(-n2ccc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)c1 ZINC000662293947 461171837 /nfs/dbraw/zinc/17/18/37/461171837.db2.gz VNJANYBMZZILTC-KRWDZBQOSA-N 2 1 342.462 3.223 20 0 EGADMP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312827 461183659 /nfs/dbraw/zinc/18/36/59/461183659.db2.gz FVFMELLTHPEXAP-JTDSTZFVSA-N 2 1 349.494 3.185 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCCC[C@H]1O ZINC000649572666 461184563 /nfs/dbraw/zinc/18/45/63/461184563.db2.gz DTNSCNZPLGBRSG-AZUAARDMSA-N 2 1 331.504 3.171 20 0 EGADMP Cc1ccccc1Cc1noc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000662316482 461187921 /nfs/dbraw/zinc/18/79/21/461187921.db2.gz WXIYHQJHZFQWNQ-SJLPKXTDSA-N 2 1 342.487 3.308 20 0 EGADMP CO[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCOCC1 ZINC000638023465 461204442 /nfs/dbraw/zinc/20/44/42/461204442.db2.gz NYCZDDUFMKZTDB-AZUAARDMSA-N 2 1 338.536 3.016 20 0 EGADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000662381634 461222661 /nfs/dbraw/zinc/22/26/61/461222661.db2.gz YLYOPROHIRIDLR-FPOVZHCZSA-N 2 1 349.478 3.002 20 0 EGADMP CC[N@@H+](CCCNC(=O)Nc1cccc(C[NH3+])c1)C1CCCCC1 ZINC000652610008 461297902 /nfs/dbraw/zinc/29/79/02/461297902.db2.gz HXEMBQQMOPQCPS-UHFFFAOYSA-N 2 1 332.492 3.312 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000633943735 461341892 /nfs/dbraw/zinc/34/18/92/461341892.db2.gz RVUMLKGOQYSUCU-LJQANCHMSA-N 2 1 343.515 3.156 20 0 EGADMP Cc1ccc(CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)c1 ZINC000655682657 461359347 /nfs/dbraw/zinc/35/93/47/461359347.db2.gz IHSXZWPKICQPAM-NRFANRHFSA-N 2 1 330.516 3.469 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000668631028 461364286 /nfs/dbraw/zinc/36/42/86/461364286.db2.gz MVDREGGRRWZVJV-PZJWPPBQSA-N 2 1 346.515 3.408 20 0 EGADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000641805547 461379778 /nfs/dbraw/zinc/37/97/78/461379778.db2.gz NPRNTIMOIIKIJB-QZTJIDSGSA-N 2 1 339.439 3.133 20 0 EGADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1F ZINC000655713399 461382156 /nfs/dbraw/zinc/38/21/56/461382156.db2.gz LMYWZOFTLORZJI-KRWDZBQOSA-N 2 1 334.479 3.336 20 0 EGADMP COc1ccc([C@@H](C)CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655715454 461384831 /nfs/dbraw/zinc/38/48/31/461384831.db2.gz KLJKADGFIIAYRZ-LPHOPBHVSA-N 2 1 332.488 3.032 20 0 EGADMP c1ccc(CC2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000655734724 461403097 /nfs/dbraw/zinc/40/30/97/461403097.db2.gz NIFLNTVNJMXTLL-FQEVSTJZSA-N 2 1 328.500 3.242 20 0 EGADMP CNC(=O)CCC[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638438690 461428123 /nfs/dbraw/zinc/42/81/23/461428123.db2.gz LSJPLCXCTMVNSY-OAQYLSRUSA-N 2 1 345.531 3.041 20 0 EGADMP Fc1ccccc1C1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCC1 ZINC000655792632 461450945 /nfs/dbraw/zinc/45/09/45/461450945.db2.gz NHIYTTFUYKCQAX-GOSISDBHSA-N 2 1 346.490 3.480 20 0 EGADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC[C@@H]2CCc3ccccc32)CC1 ZINC000659891565 461485554 /nfs/dbraw/zinc/48/55/54/461485554.db2.gz OTQQOAQPVWUYGN-PXNSSMCTSA-N 2 1 330.516 3.131 20 0 EGADMP CO[C@H](C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CCOCC1 ZINC000638612061 461505977 /nfs/dbraw/zinc/50/59/77/461505977.db2.gz LUJGPKAWRRFYME-LAUBAEHRSA-N 2 1 346.515 3.243 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631064026 461517868 /nfs/dbraw/zinc/51/78/68/461517868.db2.gz KTBWOWFPKYMSMF-UHFFFAOYSA-N 2 1 329.463 3.096 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659974324 461524452 /nfs/dbraw/zinc/52/44/52/461524452.db2.gz HMHAJKMMUVKHJK-QAPCUYQASA-N 2 1 347.528 3.153 20 0 EGADMP O[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638678731 461530132 /nfs/dbraw/zinc/53/01/32/461530132.db2.gz PDBHCGGCOIHLHO-RCVZYCBYSA-N 2 1 328.500 3.495 20 0 EGADMP O[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638678731 461530146 /nfs/dbraw/zinc/53/01/46/461530146.db2.gz PDBHCGGCOIHLHO-RCVZYCBYSA-N 2 1 328.500 3.495 20 0 EGADMP COc1cc(OC)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000663343943 461570239 /nfs/dbraw/zinc/57/02/39/461570239.db2.gz KJVMUZCQOSGIMY-HNNXBMFYSA-N 2 1 336.451 3.055 20 0 EGADMP COc1cc(OC)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000663343943 461570249 /nfs/dbraw/zinc/57/02/49/461570249.db2.gz KJVMUZCQOSGIMY-HNNXBMFYSA-N 2 1 336.451 3.055 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638781532 461575441 /nfs/dbraw/zinc/57/54/41/461575441.db2.gz VONJJEWYXMFWAL-QQOZLPODSA-N 2 1 339.527 3.427 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638781532 461575449 /nfs/dbraw/zinc/57/54/49/461575449.db2.gz VONJJEWYXMFWAL-QQOZLPODSA-N 2 1 339.527 3.427 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638781532 461575458 /nfs/dbraw/zinc/57/54/58/461575458.db2.gz VONJJEWYXMFWAL-QQOZLPODSA-N 2 1 339.527 3.427 20 0 EGADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638788184 461577559 /nfs/dbraw/zinc/57/75/59/461577559.db2.gz CLNVIIRSVBDZQK-MJGOQNOKSA-N 2 1 343.515 3.106 20 0 EGADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638788184 461577567 /nfs/dbraw/zinc/57/75/67/461577567.db2.gz CLNVIIRSVBDZQK-MJGOQNOKSA-N 2 1 343.515 3.106 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000643057126 461599473 /nfs/dbraw/zinc/59/94/73/461599473.db2.gz AGZZOPKCNDVAOU-FXAWDEMLSA-N 2 1 326.440 3.280 20 0 EGADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000638860532 461623536 /nfs/dbraw/zinc/62/35/36/461623536.db2.gz ZBDQHTQNGRKQJN-DUPRYPCISA-N 2 1 343.515 3.247 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(-n2ccnn2)c1 ZINC000663466577 461654792 /nfs/dbraw/zinc/65/47/92/461654792.db2.gz VSTYLAKNMHTBGU-WMZOPIPTSA-N 2 1 339.487 3.040 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000663466256 461655652 /nfs/dbraw/zinc/65/56/52/461655652.db2.gz QDTUWYIUWYBWBO-SJLPKXTDSA-N 2 1 343.515 3.161 20 0 EGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663467167 461656559 /nfs/dbraw/zinc/65/65/59/461656559.db2.gz DDNZHCBBGDPOKK-MAUKXSAKSA-N 2 1 329.488 3.418 20 0 EGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663467171 461658125 /nfs/dbraw/zinc/65/81/25/461658125.db2.gz DDNZHCBBGDPOKK-YJBOKZPZSA-N 2 1 329.488 3.418 20 0 EGADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663469578 461660542 /nfs/dbraw/zinc/66/05/42/461660542.db2.gz QPPSKOCYNGQDIH-RDJZCZTQSA-N 2 1 332.488 3.476 20 0 EGADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663469578 461660548 /nfs/dbraw/zinc/66/05/48/461660548.db2.gz QPPSKOCYNGQDIH-RDJZCZTQSA-N 2 1 332.488 3.476 20 0 EGADMP CC[C@H](CC(F)F)C[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000660333695 461715067 /nfs/dbraw/zinc/71/50/67/461715067.db2.gz DHWNYDQAMZFICC-APWZRJJASA-N 2 1 340.458 3.237 20 0 EGADMP CC[C@H](CC(F)F)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660333695 461715072 /nfs/dbraw/zinc/71/50/72/461715072.db2.gz DHWNYDQAMZFICC-APWZRJJASA-N 2 1 340.458 3.237 20 0 EGADMP CC[C@H](CC(F)F)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660333695 461715084 /nfs/dbraw/zinc/71/50/84/461715084.db2.gz DHWNYDQAMZFICC-APWZRJJASA-N 2 1 340.458 3.237 20 0 EGADMP CC[C@H](CC(F)F)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660333695 461715095 /nfs/dbraw/zinc/71/50/95/461715095.db2.gz DHWNYDQAMZFICC-APWZRJJASA-N 2 1 340.458 3.237 20 0 EGADMP CC[C@H](CC(F)F)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660333695 461715101 /nfs/dbraw/zinc/71/51/01/461715101.db2.gz DHWNYDQAMZFICC-APWZRJJASA-N 2 1 340.458 3.237 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2cc(-c3ccncc3)ccc2OC)CC[C@@H]1[NH3+] ZINC000647497878 461737877 /nfs/dbraw/zinc/73/78/77/461737877.db2.gz YYDCYFSKKCOVMX-BEFAXECRSA-N 2 1 325.456 3.316 20 0 EGADMP CC[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647497588 461737907 /nfs/dbraw/zinc/73/79/07/461737907.db2.gz NFMLXWGMDGEOFK-KBPBESRZSA-N 2 1 346.393 3.196 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647497588 461737914 /nfs/dbraw/zinc/73/79/14/461737914.db2.gz NFMLXWGMDGEOFK-KBPBESRZSA-N 2 1 346.393 3.196 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)CC[C@@H]1[NH3+] ZINC000647498773 461739444 /nfs/dbraw/zinc/73/94/44/461739444.db2.gz QGTTYZLHWYXCSD-FPOVZHCZSA-N 2 1 340.515 3.416 20 0 EGADMP Cc1ccc2ncc(C[N@H+]3CCC[C@@H](N4CCOCC4)CC3)cc2c1 ZINC000660472230 461798472 /nfs/dbraw/zinc/79/84/72/461798472.db2.gz CHQWETXSKRTRHO-HXUWFJFHSA-N 2 1 339.483 3.230 20 0 EGADMP Cc1cc(CO)cc(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663778806 461803012 /nfs/dbraw/zinc/80/30/12/461803012.db2.gz IBJFZVHEKYOVDI-QFBILLFUSA-N 2 1 325.456 3.205 20 0 EGADMP Cc1cc(CO)cc(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663778806 461803016 /nfs/dbraw/zinc/80/30/16/461803016.db2.gz IBJFZVHEKYOVDI-QFBILLFUSA-N 2 1 325.456 3.205 20 0 EGADMP O[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639245456 461823297 /nfs/dbraw/zinc/82/32/97/461823297.db2.gz KVJBPRHIKBWBRE-FMWKFLBASA-N 2 1 328.500 3.495 20 0 EGADMP O[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639245456 461823303 /nfs/dbraw/zinc/82/33/03/461823303.db2.gz KVJBPRHIKBWBRE-FMWKFLBASA-N 2 1 328.500 3.495 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000660558321 461853417 /nfs/dbraw/zinc/85/34/17/461853417.db2.gz QTFXFAXBPRUMRG-QGZVFWFLSA-N 2 1 347.478 3.188 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000660558321 461853423 /nfs/dbraw/zinc/85/34/23/461853423.db2.gz QTFXFAXBPRUMRG-QGZVFWFLSA-N 2 1 347.478 3.188 20 0 EGADMP CC[C@H]1C[N@@H+](CCOc2cc(F)cc(Br)c2)CC[C@@H]1[NH3+] ZINC000647934606 461892461 /nfs/dbraw/zinc/89/24/61/461892461.db2.gz KFSDNIAZJNVVFW-NHYWBVRUSA-N 2 1 345.256 3.026 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)s3)C2)C1 ZINC000650707354 461901397 /nfs/dbraw/zinc/90/13/97/461901397.db2.gz DHJMQMWYKPVMSL-SCRDCRAPSA-N 2 1 348.434 3.485 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cnn(-c3ccc(Cl)cc3)c1)C2 ZINC000650708894 461903244 /nfs/dbraw/zinc/90/32/44/461903244.db2.gz SRYCKIGOMPKHIC-YJBOKZPZSA-N 2 1 330.863 3.087 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cnn(-c3ccc(Cl)cc3)c1)C2 ZINC000650708894 461903251 /nfs/dbraw/zinc/90/32/51/461903251.db2.gz SRYCKIGOMPKHIC-YJBOKZPZSA-N 2 1 330.863 3.087 20 0 EGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1coc(-c3ccc(F)cc3)n1)C2 ZINC000660654975 461904682 /nfs/dbraw/zinc/90/46/82/461904682.db2.gz JRBOTDZRRMKCLU-LJQANCHMSA-N 2 1 329.419 3.398 20 0 EGADMP CC(C)(C)c1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000650722787 461914143 /nfs/dbraw/zinc/91/41/43/461914143.db2.gz BGOYDRAWLVJQQA-IMJJTQAJSA-N 2 1 337.533 3.301 20 0 EGADMP CC(C)(C)c1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000650722787 461914151 /nfs/dbraw/zinc/91/41/51/461914151.db2.gz BGOYDRAWLVJQQA-IMJJTQAJSA-N 2 1 337.533 3.301 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2Cl)C1 ZINC000650724069 461915902 /nfs/dbraw/zinc/91/59/02/461915902.db2.gz XWDPWFQFTAATKB-HYVNUMGLSA-N 2 1 326.843 3.340 20 0 EGADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647974967 461917807 /nfs/dbraw/zinc/91/78/07/461917807.db2.gz DRDZJZMQNOKIGO-OAGGEKHMSA-N 2 1 349.906 3.379 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647977335 461918202 /nfs/dbraw/zinc/91/82/02/461918202.db2.gz AAGYQOHCLXNMRH-IPMKNSEASA-N 2 1 343.515 3.342 20 0 EGADMP FC(F)(F)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000647978889 461920675 /nfs/dbraw/zinc/92/06/75/461920675.db2.gz ZWWPOLOTVKQVBW-KGLIPLIRSA-N 2 1 327.394 3.312 20 0 EGADMP Fc1cccc(-n2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647977887 461921274 /nfs/dbraw/zinc/92/12/74/461921274.db2.gz JLGAOPBWLNKPGZ-SJORKVTESA-N 2 1 342.462 3.223 20 0 EGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2nc3ccc(F)cc3s2)CC1 ZINC000667042250 461925317 /nfs/dbraw/zinc/92/53/17/461925317.db2.gz HUNMLMNNMMIHCV-KSSFIOAISA-N 2 1 349.475 3.154 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C[NH3+])cc1F ZINC000650751849 461932672 /nfs/dbraw/zinc/93/26/72/461932672.db2.gz CLPVYZNLZGQQHU-IERDGZPVSA-N 2 1 341.474 3.285 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650751849 461932680 /nfs/dbraw/zinc/93/26/80/461932680.db2.gz CLPVYZNLZGQQHU-IERDGZPVSA-N 2 1 341.474 3.285 20 0 EGADMP CC(C)COC[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000644522330 461969281 /nfs/dbraw/zinc/96/92/81/461969281.db2.gz NSSIVZMVOBNAAY-RXVVDRJESA-N 2 1 348.531 3.184 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC2(CCCC2)O1 ZINC000648077405 461971591 /nfs/dbraw/zinc/97/15/91/461971591.db2.gz OVOIFSGLIFKLIZ-KRWDZBQOSA-N 2 1 332.488 3.161 20 0 EGADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)s1 ZINC000644571538 461991492 /nfs/dbraw/zinc/99/14/92/461991492.db2.gz DLEKCIMCGAKUFC-CRAIPNDOSA-N 2 1 332.513 3.070 20 0 EGADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000644571538 461991498 /nfs/dbraw/zinc/99/14/98/461991498.db2.gz DLEKCIMCGAKUFC-CRAIPNDOSA-N 2 1 332.513 3.070 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000639594242 462008013 /nfs/dbraw/zinc/00/80/13/462008013.db2.gz YEQUWCXSCPLSBL-ZWKOTPCHSA-N 2 1 326.488 3.233 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000639594242 462008017 /nfs/dbraw/zinc/00/80/17/462008017.db2.gz YEQUWCXSCPLSBL-ZWKOTPCHSA-N 2 1 326.488 3.233 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000639594242 462008020 /nfs/dbraw/zinc/00/80/20/462008020.db2.gz YEQUWCXSCPLSBL-ZWKOTPCHSA-N 2 1 326.488 3.233 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2cc(Cl)cnc2o1 ZINC000648384618 462092546 /nfs/dbraw/zinc/09/25/46/462092546.db2.gz HZXAWXMCPOHTHS-HYVNUMGLSA-N 2 1 349.862 3.165 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2cc(Cl)cnc2o1 ZINC000648384618 462092551 /nfs/dbraw/zinc/09/25/51/462092551.db2.gz HZXAWXMCPOHTHS-HYVNUMGLSA-N 2 1 349.862 3.165 20 0 EGADMP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000651210961 462135733 /nfs/dbraw/zinc/13/57/33/462135733.db2.gz JEERRAVJHALZLP-QUCCMNQESA-N 2 1 346.515 3.072 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000654309117 462151462 /nfs/dbraw/zinc/15/14/62/462151462.db2.gz VSWUKDCYVBKPMB-PMACEKPBSA-N 2 1 343.515 3.275 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)ncn1 ZINC000651280121 462164240 /nfs/dbraw/zinc/16/42/40/462164240.db2.gz MWKSPGAFVDDZLY-PWRODBHTSA-N 2 1 336.483 3.318 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)ncn1 ZINC000651280121 462164247 /nfs/dbraw/zinc/16/42/47/462164247.db2.gz MWKSPGAFVDDZLY-PWRODBHTSA-N 2 1 336.483 3.318 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000667705533 462224942 /nfs/dbraw/zinc/22/49/42/462224942.db2.gz FXSOXHGSCSHNHV-ILZDJORESA-N 2 1 332.488 3.016 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000667705533 462224947 /nfs/dbraw/zinc/22/49/47/462224947.db2.gz FXSOXHGSCSHNHV-ILZDJORESA-N 2 1 332.488 3.016 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000667705533 462224951 /nfs/dbraw/zinc/22/49/51/462224951.db2.gz FXSOXHGSCSHNHV-ILZDJORESA-N 2 1 332.488 3.016 20 0 EGADMP COCc1ccccc1/C=C(/C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751214 462251262 /nfs/dbraw/zinc/25/12/62/462251262.db2.gz HCNLAWOOSQNULR-YULVEUEDSA-N 2 1 344.499 3.079 20 0 EGADMP Cc1[nH]c2ncnc(NCc3cc(C)[nH+]c(N4CCCC4)c3)c2c1C ZINC000645247437 462252415 /nfs/dbraw/zinc/25/24/15/462252415.db2.gz HHPJWRCDVLPGDR-UHFFFAOYSA-N 2 1 336.443 3.490 20 0 EGADMP COC[C@H](CC(C)(C)C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000651752337 462324652 /nfs/dbraw/zinc/32/46/52/462324652.db2.gz BGPVWWUGPOAORM-KRWDZBQOSA-N 2 1 334.508 3.103 20 0 EGADMP CCCN(C(=O)c1ccc(C[NH+](CC)CC)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000648996089 462361495 /nfs/dbraw/zinc/36/14/95/462361495.db2.gz MEEAUBPKIVHMQD-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP CCCN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000648996646 462364121 /nfs/dbraw/zinc/36/41/21/462364121.db2.gz XECLMZMNDIFJHQ-FQEVSTJZSA-N 2 1 343.515 3.229 20 0 EGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(COC[C@H]2CCCO2)c1 ZINC000665294969 462390668 /nfs/dbraw/zinc/39/06/68/462390668.db2.gz ZFECWNUBLHGYGZ-AQNXPRMDSA-N 2 1 332.488 3.132 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc1 ZINC000646105862 462518719 /nfs/dbraw/zinc/51/87/19/462518719.db2.gz KCRJWMXKRMEHRG-JXFKEZNVSA-N 2 1 337.467 3.053 20 0 EGADMP Cc1cc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)n(-c2ccccc2)n1 ZINC000181531086 533756457 /nfs/dbraw/zinc/75/64/57/533756457.db2.gz BRMIUKCQXUZTBC-KBAYOESNSA-N 2 1 326.488 3.184 20 0 EGADMP Cc1cc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)n(-c2ccccc2)n1 ZINC000181531086 533756459 /nfs/dbraw/zinc/75/64/59/533756459.db2.gz BRMIUKCQXUZTBC-KBAYOESNSA-N 2 1 326.488 3.184 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)CC[N@H+]1C ZINC000180902494 533949589 /nfs/dbraw/zinc/94/95/89/533949589.db2.gz DVJKZGSXPZJJBE-IUODEOHRSA-N 2 1 334.851 3.005 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000158779310 534005203 /nfs/dbraw/zinc/00/52/03/534005203.db2.gz ZWZCNNJZWFIKEG-SJORKVTESA-N 2 1 332.517 3.225 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000158779310 534005210 /nfs/dbraw/zinc/00/52/10/534005210.db2.gz ZWZCNNJZWFIKEG-SJORKVTESA-N 2 1 332.517 3.225 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CC2(C[NH3+])CCCCC2)c1 ZINC000184228190 527839745 /nfs/dbraw/zinc/83/97/45/527839745.db2.gz VBKYKELRYZFIEX-UHFFFAOYSA-N 2 1 331.504 3.054 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000187191963 529152413 /nfs/dbraw/zinc/15/24/13/529152413.db2.gz SBXRRGGRMJAEBJ-APWZRJJASA-N 2 1 335.923 3.155 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000351419837 536353138 /nfs/dbraw/zinc/35/31/38/536353138.db2.gz RGCSKBCCCNOPIU-AZUAARDMSA-N 2 1 343.515 3.003 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000351419837 536353142 /nfs/dbraw/zinc/35/31/42/536353142.db2.gz RGCSKBCCCNOPIU-AZUAARDMSA-N 2 1 343.515 3.003 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000351419837 536353143 /nfs/dbraw/zinc/35/31/43/536353143.db2.gz RGCSKBCCCNOPIU-AZUAARDMSA-N 2 1 343.515 3.003 20 0 EGADMP COC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(C)o1 ZINC000080237564 546598383 /nfs/dbraw/zinc/59/83/83/546598383.db2.gz AYVPVCVLZZGXIT-SFHVURJKSA-N 2 1 332.444 3.006 20 0 EGADMP CCCO[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000093316787 546683053 /nfs/dbraw/zinc/68/30/53/546683053.db2.gz DPMOHXXJOZSQMP-IBGZPJMESA-N 2 1 334.504 3.408 20 0 EGADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000153788670 546884195 /nfs/dbraw/zinc/88/41/95/546884195.db2.gz ZQQXOUYBYNDQRS-OAHLLOKOSA-N 2 1 328.909 3.435 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000153788670 546884199 /nfs/dbraw/zinc/88/41/99/546884199.db2.gz ZQQXOUYBYNDQRS-OAHLLOKOSA-N 2 1 328.909 3.435 20 0 EGADMP CC(=O)Nc1cccc(CN[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000155437042 546903182 /nfs/dbraw/zinc/90/31/82/546903182.db2.gz FTFAQTADSKCWOV-KKSFZXQISA-N 2 1 337.467 3.398 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1noc(Cc2ccccc2)n1 ZINC000165461662 546984987 /nfs/dbraw/zinc/98/49/87/546984987.db2.gz LASMCJCAAAAXLI-LSDHHAIUSA-N 2 1 328.460 3.041 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000166451059 546990303 /nfs/dbraw/zinc/99/03/03/546990303.db2.gz RUFLSUKMQSHHQU-UONOGXRCSA-N 2 1 328.378 3.430 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000166451059 546990308 /nfs/dbraw/zinc/99/03/08/546990308.db2.gz RUFLSUKMQSHHQU-UONOGXRCSA-N 2 1 328.378 3.430 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000247174640 547288094 /nfs/dbraw/zinc/28/80/94/547288094.db2.gz UUXFQHMQHWMHIL-MKFDZEHOSA-N 2 1 336.545 3.443 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000247174640 547288101 /nfs/dbraw/zinc/28/81/01/547288101.db2.gz UUXFQHMQHWMHIL-MKFDZEHOSA-N 2 1 336.545 3.443 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCSc3c(F)cccc32)CCCO1 ZINC000278436856 547362531 /nfs/dbraw/zinc/36/25/31/547362531.db2.gz HFSSEJRVSUGBOI-WMLDXEAASA-N 2 1 338.492 3.453 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCSc3c(F)cccc32)CCCO1 ZINC000278436856 547362535 /nfs/dbraw/zinc/36/25/35/547362535.db2.gz HFSSEJRVSUGBOI-WMLDXEAASA-N 2 1 338.492 3.453 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cscc1Br ZINC000286527544 547395379 /nfs/dbraw/zinc/39/53/79/547395379.db2.gz NLEASJZXQOAPRF-JTQLQIEISA-N 2 1 328.279 3.441 20 0 EGADMP C[C@H]([NH2+]CC1(CO)CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310119081 547461581 /nfs/dbraw/zinc/46/15/81/547461581.db2.gz HRKNMGGMVCGWFM-AZUAARDMSA-N 2 1 330.516 3.429 20 0 EGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339069466 547569075 /nfs/dbraw/zinc/56/90/75/547569075.db2.gz VXSVFDMEDMDVEJ-HKUYNNGSSA-N 2 1 329.488 3.388 20 0 EGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339069466 547569078 /nfs/dbraw/zinc/56/90/78/547569078.db2.gz VXSVFDMEDMDVEJ-HKUYNNGSSA-N 2 1 329.488 3.388 20 0 EGADMP CCN(CC)C[C@@H](C)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000344207870 547609460 /nfs/dbraw/zinc/60/94/60/547609460.db2.gz HCIBDOYHCYCIOK-GOSISDBHSA-N 2 1 346.563 3.037 20 0 EGADMP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370737381 547790722 /nfs/dbraw/zinc/79/07/22/547790722.db2.gz IEDFQMHLAOCPJA-KGLIPLIRSA-N 2 1 332.398 3.071 20 0 EGADMP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370737381 547790725 /nfs/dbraw/zinc/79/07/25/547790725.db2.gz IEDFQMHLAOCPJA-KGLIPLIRSA-N 2 1 332.398 3.071 20 0 EGADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cccc(-c4ccccc4)c3)C2)nn1 ZINC000415120514 547863822 /nfs/dbraw/zinc/86/38/22/547863822.db2.gz GEABPZIKSMXLEH-OAQYLSRUSA-N 2 1 347.466 3.241 20 0 EGADMP Fc1cc(F)cc(Oc2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC000479964077 547962478 /nfs/dbraw/zinc/96/24/78/547962478.db2.gz ZNDPHLHITODJRW-GASCZTMLSA-N 2 1 330.378 3.408 20 0 EGADMP Fc1cc(F)cc(Oc2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC000479964077 547962483 /nfs/dbraw/zinc/96/24/83/547962483.db2.gz ZNDPHLHITODJRW-GASCZTMLSA-N 2 1 330.378 3.408 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000535280338 548053642 /nfs/dbraw/zinc/05/36/42/548053642.db2.gz JQGZFFCXIALXFZ-LJQANCHMSA-N 2 1 331.504 3.192 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000535280338 548053645 /nfs/dbraw/zinc/05/36/45/548053645.db2.gz JQGZFFCXIALXFZ-LJQANCHMSA-N 2 1 331.504 3.192 20 0 EGADMP Clc1ccc2[nH+]ccc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC000674062425 548682078 /nfs/dbraw/zinc/68/20/78/548682078.db2.gz QVYYGPAUOATCGK-OAHLLOKOSA-N 2 1 331.847 3.189 20 0 EGADMP C[C@@H](Cc1cccs1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000675724184 548968662 /nfs/dbraw/zinc/96/86/62/548968662.db2.gz KEDJQVFVUMPVPU-DOTOQJQBSA-N 2 1 349.569 3.319 20 0 EGADMP c1ccc([C@H](C[NH+]2CCCCC2)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677237094 549235045 /nfs/dbraw/zinc/23/50/45/549235045.db2.gz ASBJXIBTUOAEGD-ACRUOGEOSA-N 2 1 327.516 3.430 20 0 EGADMP CCC1(CC)[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H](C)[C@@H]1OC ZINC000678927411 549597471 /nfs/dbraw/zinc/59/74/71/549597471.db2.gz IXJMVMJGJAGTMY-KANFNMMFSA-N 2 1 338.536 3.059 20 0 EGADMP C[C@@H]([NH2+]Cc1cnc2ccccn12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679288026 549679946 /nfs/dbraw/zinc/67/99/46/549679946.db2.gz BOVMEVYUPHQKCF-IEBWSBKVSA-N 2 1 334.467 3.335 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000679673887 549755676 /nfs/dbraw/zinc/75/56/76/549755676.db2.gz OCNYKJJWPCXMOU-MRXNPFEDSA-N 2 1 341.377 3.007 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000679673887 549755679 /nfs/dbraw/zinc/75/56/79/549755679.db2.gz OCNYKJJWPCXMOU-MRXNPFEDSA-N 2 1 341.377 3.007 20 0 EGADMP C[N@@H+](CCc1ccncc1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000680477382 549870247 /nfs/dbraw/zinc/87/02/47/549870247.db2.gz FDRDXRGLADBCJX-UHFFFAOYSA-N 2 1 339.483 3.231 20 0 EGADMP FC(F)(F)C1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000680969995 549934665 /nfs/dbraw/zinc/93/46/65/549934665.db2.gz ZEQLDLIVBZZDJZ-ZBCRRDGASA-N 2 1 334.426 3.341 20 0 EGADMP Cc1ccc(C[N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)nc1 ZINC000682787554 550144026 /nfs/dbraw/zinc/14/40/26/550144026.db2.gz AHNNFKHCTYOEKD-UHFFFAOYSA-N 2 1 339.483 3.497 20 0 EGADMP C[N@@H+](C/C=C\c1ccc(F)cc1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457196 550418742 /nfs/dbraw/zinc/41/87/42/550418742.db2.gz JNXOVAASSYORHQ-LLHWWHOWSA-N 2 1 349.469 3.078 20 0 EGADMP C[C@H](CCc1ccccc1)C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457618 550418831 /nfs/dbraw/zinc/41/88/31/550418831.db2.gz HCAXZUUUIBWJNG-KNQAVFIVSA-N 2 1 343.559 3.356 20 0 EGADMP CCCc1cccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000685457897 550418878 /nfs/dbraw/zinc/41/88/78/550418878.db2.gz RUOSROMXOWUJPJ-OAQYLSRUSA-N 2 1 329.532 3.239 20 0 EGADMP CCCCCC[C@@H](C)NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000729582582 574871637 /nfs/dbraw/zinc/87/16/37/574871637.db2.gz IVBXGKIRSKMOEO-QGZVFWFLSA-N 2 1 340.556 3.013 20 0 EGADMP CCCCCC[C@@H](C)NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000729582582 574871638 /nfs/dbraw/zinc/87/16/38/574871638.db2.gz IVBXGKIRSKMOEO-QGZVFWFLSA-N 2 1 340.556 3.013 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000732268766 575250899 /nfs/dbraw/zinc/25/08/99/575250899.db2.gz LVJUYLZUMFAUIY-GOSISDBHSA-N 2 1 345.531 3.062 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000732268766 575250901 /nfs/dbraw/zinc/25/09/01/575250901.db2.gz LVJUYLZUMFAUIY-GOSISDBHSA-N 2 1 345.531 3.062 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000732268766 575250906 /nfs/dbraw/zinc/25/09/06/575250906.db2.gz LVJUYLZUMFAUIY-GOSISDBHSA-N 2 1 345.531 3.062 20 0 EGADMP CC(C)c1[nH+]ccn1CCNC(=O)[C@H](c1cccc(Cl)c1)N(C)C ZINC000732278320 575253579 /nfs/dbraw/zinc/25/35/79/575253579.db2.gz IADIADADZBCNFB-INIZCTEOSA-N 2 1 348.878 3.079 20 0 EGADMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000743869410 576817855 /nfs/dbraw/zinc/81/78/55/576817855.db2.gz RFUHXMVEBOBONW-UXHICEINSA-N 2 1 336.495 3.171 20 0 EGADMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000743869410 576817856 /nfs/dbraw/zinc/81/78/56/576817856.db2.gz RFUHXMVEBOBONW-UXHICEINSA-N 2 1 336.495 3.171 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000695193342 1298157052 /nfs/dbraw/zinc/15/70/52/1298157052.db2.gz QWAZOQYJGNQSKU-WBVHZDCISA-N 2 1 339.524 3.096 20 0 EGADMP COc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1OCc1cccnc1 ZINC000895300513 1309275609 /nfs/dbraw/zinc/27/56/09/1309275609.db2.gz WYMLAPQSBKDFSP-MRXNPFEDSA-N 2 1 343.471 3.099 20 0 EGADMP Cc1ccc(-c2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)s2)cc1 ZINC000065274738 1292077612 /nfs/dbraw/zinc/07/76/12/1292077612.db2.gz UAFXDZJZBAUMNT-QGZVFWFLSA-N 2 1 330.497 3.270 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000067222744 1292154792 /nfs/dbraw/zinc/15/47/92/1292154792.db2.gz SHTIJTJUHQQSTH-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000067222744 1292154799 /nfs/dbraw/zinc/15/47/99/1292154799.db2.gz SHTIJTJUHQQSTH-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(Cl)c(F)c2)C[C@H](C)O1 ZINC000067452614 1292161181 /nfs/dbraw/zinc/16/11/81/1292161181.db2.gz GSARAGKDDQXRIW-OKILXGFUSA-N 2 1 328.859 3.458 20 0 EGADMP COc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)ccc1OC(F)F ZINC000069751822 1292249864 /nfs/dbraw/zinc/24/98/64/1292249864.db2.gz QEXIWHRVJHZPCJ-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000069783938 1292252747 /nfs/dbraw/zinc/25/27/47/1292252747.db2.gz YXBPJAQBVNSKTL-KRWDZBQOSA-N 2 1 326.488 3.392 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nnc(-c3cccc(F)c3)o2)CC1 ZINC000075713444 1292406972 /nfs/dbraw/zinc/40/69/72/1292406972.db2.gz PHEDHHFBEHCXEL-UHFFFAOYSA-N 2 1 346.450 3.428 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nnc(-c3cccc(F)c3)o2)CC1 ZINC000075713444 1292406977 /nfs/dbraw/zinc/40/69/77/1292406977.db2.gz PHEDHHFBEHCXEL-UHFFFAOYSA-N 2 1 346.450 3.428 20 0 EGADMP CC(C)c1[nH+]ccn1CCNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000828965997 1292523709 /nfs/dbraw/zinc/52/37/09/1292523709.db2.gz UGKNTZHLPLGLSU-KRWDZBQOSA-N 2 1 334.508 3.201 20 0 EGADMP CC(C)[C@@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000089137644 1292757846 /nfs/dbraw/zinc/75/78/46/1292757846.db2.gz DCHQCTLSAJHOKR-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000105450932 1293037951 /nfs/dbraw/zinc/03/79/51/1293037951.db2.gz LAZXHASFDPONHA-UHFFFAOYSA-N 2 1 344.330 3.357 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3c(C)n[nH]c3C)CC2)cs1 ZINC000111397603 1293103863 /nfs/dbraw/zinc/10/38/63/1293103863.db2.gz LGRMFVDIRBYZLE-UHFFFAOYSA-N 2 1 347.532 3.047 20 0 EGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000120797392 1293339233 /nfs/dbraw/zinc/33/92/33/1293339233.db2.gz KXUYAAHJYOBJSI-INIZCTEOSA-N 2 1 330.451 3.060 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000120797392 1293339242 /nfs/dbraw/zinc/33/92/42/1293339242.db2.gz KXUYAAHJYOBJSI-INIZCTEOSA-N 2 1 330.451 3.060 20 0 EGADMP CCCOc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1OC ZINC000120970033 1293348219 /nfs/dbraw/zinc/34/82/19/1293348219.db2.gz KMIIIOXUGBBKSF-UHFFFAOYSA-N 2 1 332.488 3.448 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000121809909 1293391113 /nfs/dbraw/zinc/39/11/13/1293391113.db2.gz REUSFDFYUYGFIG-JKSUJKDBSA-N 2 1 331.460 3.026 20 0 EGADMP COc1ccccc1CNC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000131117730 1293679846 /nfs/dbraw/zinc/67/98/46/1293679846.db2.gz MHHIZMNYEYHSIH-MRXNPFEDSA-N 2 1 325.456 3.405 20 0 EGADMP C[C@@H](CCC1CCCCC1)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000134329627 1293771330 /nfs/dbraw/zinc/77/13/30/1293771330.db2.gz RWFZMXDJPFJCQF-KRWDZBQOSA-N 2 1 345.535 3.067 20 0 EGADMP CCCCC[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156885843 1294162215 /nfs/dbraw/zinc/16/22/15/1294162215.db2.gz WOJDUQOQIISWJO-PXNSSMCTSA-N 2 1 345.531 3.442 20 0 EGADMP Cc1nn(C)cc1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000160098183 1294257558 /nfs/dbraw/zinc/25/75/58/1294257558.db2.gz YTSBKJHMDRKKBC-MRXNPFEDSA-N 2 1 326.488 3.393 20 0 EGADMP CCCCCCNC(=O)[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000160752784 1294277502 /nfs/dbraw/zinc/27/75/02/1294277502.db2.gz FRLPWWLUUYIPAN-IBGZPJMESA-N 2 1 337.552 3.271 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccnc(Cl)c3)CC2)nc(C)[nH+]1 ZINC000162279422 1294311744 /nfs/dbraw/zinc/31/17/44/1294311744.db2.gz IFBVBNHBFNSLQQ-ZDUSSCGKSA-N 2 1 345.878 3.461 20 0 EGADMP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000192682199 1295789697 /nfs/dbraw/zinc/78/96/97/1295789697.db2.gz YQNRXANFAAVBDW-MRXNPFEDSA-N 2 1 347.503 3.154 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000870903845 1296134327 /nfs/dbraw/zinc/13/43/27/1296134327.db2.gz GPQQKGJFEAPTMQ-MXVIHJGJSA-N 2 1 345.531 3.442 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1)C(C)C ZINC000870974529 1296162774 /nfs/dbraw/zinc/16/27/74/1296162774.db2.gz LCNFIYYOCSWVRU-FNLKRUPLSA-N 2 1 343.515 3.177 20 0 EGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000236825359 1296204595 /nfs/dbraw/zinc/20/45/95/1296204595.db2.gz LLYIYNIJQKPCEE-CQSZACIVSA-N 2 1 332.879 3.172 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000236825359 1296204606 /nfs/dbraw/zinc/20/46/06/1296204606.db2.gz LLYIYNIJQKPCEE-CQSZACIVSA-N 2 1 332.879 3.172 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)cc1OC ZINC000236847459 1296207136 /nfs/dbraw/zinc/20/71/36/1296207136.db2.gz ZZNZCDOSDAOIIO-CYBMUJFWSA-N 2 1 326.868 3.179 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1OC ZINC000236847459 1296207142 /nfs/dbraw/zinc/20/71/42/1296207142.db2.gz ZZNZCDOSDAOIIO-CYBMUJFWSA-N 2 1 326.868 3.179 20 0 EGADMP C[N@H+](CCNC1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000237148631 1296223606 /nfs/dbraw/zinc/22/36/06/1296223606.db2.gz GVLMBFDZRWUZFU-UHFFFAOYSA-N 2 1 337.511 3.373 20 0 EGADMP C[N@@H+](CCNC1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000237148631 1296223611 /nfs/dbraw/zinc/22/36/11/1296223611.db2.gz GVLMBFDZRWUZFU-UHFFFAOYSA-N 2 1 337.511 3.373 20 0 EGADMP C[C@@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C[NH+]1CCCCC1 ZINC000237401234 1296242179 /nfs/dbraw/zinc/24/21/79/1296242179.db2.gz GQGSGAKCDGHGIZ-AWEZNQCLSA-N 2 1 338.879 3.323 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000247956950 1296403252 /nfs/dbraw/zinc/40/32/52/1296403252.db2.gz DEAZWGCAEDOFJF-VQTJNVASSA-N 2 1 345.531 3.232 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000248146758 1296406780 /nfs/dbraw/zinc/40/67/80/1296406780.db2.gz QGYFMUKGXBLUBK-ZGRYLRDCSA-N 2 1 339.524 3.142 20 0 EGADMP Fc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1-c1cccs1 ZINC000262111866 1296619582 /nfs/dbraw/zinc/61/95/82/1296619582.db2.gz KOLNAJOIEDFGGV-INIZCTEOSA-N 2 1 345.487 3.034 20 0 EGADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(F)cc2F)CC1 ZINC000304706343 1296937793 /nfs/dbraw/zinc/93/77/93/1296937793.db2.gz JQKQAAGYCKJJQQ-UHFFFAOYSA-N 2 1 346.421 3.211 20 0 EGADMP CCC(CC)[C@@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH+](C)C ZINC000310047468 1297083180 /nfs/dbraw/zinc/08/31/80/1297083180.db2.gz SXUOOKORDVXZCK-DLBZAZTESA-N 2 1 341.540 3.342 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cccc3ncccc23)CC1 ZINC000873069247 1297259105 /nfs/dbraw/zinc/25/91/05/1297259105.db2.gz JMQHDQAZCQKNNT-UHFFFAOYSA-N 2 1 327.472 3.214 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)[C@@H](n2cncn2)C1 ZINC000340469824 1297313517 /nfs/dbraw/zinc/31/35/17/1297313517.db2.gz MJDBFTWWXJWSCK-QRQLOZEOSA-N 2 1 333.524 3.252 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204380 1297350394 /nfs/dbraw/zinc/35/03/94/1297350394.db2.gz COWYCMOWRYFRGI-DLBZAZTESA-N 3 1 347.572 3.480 20 0 EGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204380 1297350397 /nfs/dbraw/zinc/35/03/97/1297350397.db2.gz COWYCMOWRYFRGI-DLBZAZTESA-N 3 1 347.572 3.480 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204380 1297350408 /nfs/dbraw/zinc/35/04/08/1297350408.db2.gz COWYCMOWRYFRGI-DLBZAZTESA-N 3 1 347.572 3.480 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204380 1297350414 /nfs/dbraw/zinc/35/04/14/1297350414.db2.gz COWYCMOWRYFRGI-DLBZAZTESA-N 3 1 347.572 3.480 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204380 1297350422 /nfs/dbraw/zinc/35/04/22/1297350422.db2.gz COWYCMOWRYFRGI-DLBZAZTESA-N 3 1 347.572 3.480 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)CC1 ZINC000873204854 1297350539 /nfs/dbraw/zinc/35/05/39/1297350539.db2.gz HVZUCSYDKGWGLI-KRWDZBQOSA-N 3 1 347.572 3.338 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)CC1 ZINC000873204854 1297350550 /nfs/dbraw/zinc/35/05/50/1297350550.db2.gz HVZUCSYDKGWGLI-KRWDZBQOSA-N 3 1 347.572 3.338 20 0 EGADMP CC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@@H](O)c1ccc(C)cc1 ZINC000873208435 1297352500 /nfs/dbraw/zinc/35/25/00/1297352500.db2.gz WEBBMEPXNGNZAD-GOSISDBHSA-N 2 1 330.497 3.258 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Br)cn1 ZINC000873262309 1297396402 /nfs/dbraw/zinc/39/64/02/1297396402.db2.gz LPNFALSWCWPRTQ-TZMCWYRMSA-N 2 1 326.282 3.245 20 0 EGADMP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000382945693 1297566319 /nfs/dbraw/zinc/56/63/19/1297566319.db2.gz RTOYYLUAFOTHHO-HXUWFJFHSA-N 3 1 329.532 3.363 20 0 EGADMP CCCN(C[C@@H]1CCC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000382945693 1297566323 /nfs/dbraw/zinc/56/63/23/1297566323.db2.gz RTOYYLUAFOTHHO-HXUWFJFHSA-N 2 1 329.532 3.363 20 0 EGADMP c1ccc(C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc2)cc1 ZINC000393048621 1297662521 /nfs/dbraw/zinc/66/25/21/1297662521.db2.gz KVECPYGUQFKIDT-BDTNDASRSA-N 2 1 336.479 3.423 20 0 EGADMP c1ccc(C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c2ccccc2)cc1 ZINC000393048621 1297662523 /nfs/dbraw/zinc/66/25/23/1297662523.db2.gz KVECPYGUQFKIDT-BDTNDASRSA-N 2 1 336.479 3.423 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400323608 1297729616 /nfs/dbraw/zinc/72/96/16/1297729616.db2.gz AQMAABTYBHMQFX-HZPDHXFCSA-N 2 1 341.540 3.340 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400323608 1297729628 /nfs/dbraw/zinc/72/96/28/1297729628.db2.gz AQMAABTYBHMQFX-HZPDHXFCSA-N 2 1 341.540 3.340 20 0 EGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000693912852 1298152532 /nfs/dbraw/zinc/15/25/32/1298152532.db2.gz SHKFZBPIECOPHD-CZUORRHYSA-N 2 1 325.294 3.454 20 0 EGADMP CCOC(=O)N1CCC(C)(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)CC1 ZINC000876760046 1298966484 /nfs/dbraw/zinc/96/64/84/1298966484.db2.gz RUCVAWYFIVZARD-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP CCOC(=O)N1CCC(C)(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000876760046 1298966494 /nfs/dbraw/zinc/96/64/94/1298966494.db2.gz RUCVAWYFIVZARD-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP CCOC(=O)N1CCC(C)(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000876760046 1298966506 /nfs/dbraw/zinc/96/65/06/1298966506.db2.gz RUCVAWYFIVZARD-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877154474 1299185962 /nfs/dbraw/zinc/18/59/62/1299185962.db2.gz RCAHQSQCYGPSOX-LMNJBCLMSA-N 2 1 327.516 3.428 20 0 EGADMP C[C@@H]1CCC[NH+]1CCN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877154474 1299185964 /nfs/dbraw/zinc/18/59/64/1299185964.db2.gz RCAHQSQCYGPSOX-LMNJBCLMSA-N 2 1 327.516 3.428 20 0 EGADMP C[C@@H]1CCC[NH+]1CCN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877154474 1299185968 /nfs/dbraw/zinc/18/59/68/1299185968.db2.gz RCAHQSQCYGPSOX-LMNJBCLMSA-N 2 1 327.516 3.428 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(OC(F)F)cc2F)CC1 ZINC000877458252 1299315492 /nfs/dbraw/zinc/31/54/92/1299315492.db2.gz NMCDQRAVGWKMBK-UHFFFAOYSA-N 2 1 328.378 3.487 20 0 EGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(OC(F)F)cc2F)CC1 ZINC000877458252 1299315504 /nfs/dbraw/zinc/31/55/04/1299315504.db2.gz NMCDQRAVGWKMBK-UHFFFAOYSA-N 2 1 328.378 3.487 20 0 EGADMP C[C@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000751069970 1299506787 /nfs/dbraw/zinc/50/67/87/1299506787.db2.gz LQJYEDWORDTUNE-FCWGVCEXSA-N 2 1 335.536 3.161 20 0 EGADMP C=C/C=C/CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000878607798 1300104175 /nfs/dbraw/zinc/10/41/75/1300104175.db2.gz ZATIIOLBNZGACK-SHTLVRLNSA-N 2 1 325.500 3.011 20 0 EGADMP CC(C)c1cn(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(=S)n1C ZINC000755779503 1300395441 /nfs/dbraw/zinc/39/54/41/1300395441.db2.gz IYRDJFMAONFKEH-INIZCTEOSA-N 2 1 336.549 3.301 20 0 EGADMP FC[C@@H]1CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@@H](CF)C3)c2)C1 ZINC000880238082 1300998645 /nfs/dbraw/zinc/99/86/45/1300998645.db2.gz NVNCKMVXJRVUBU-IRXDYDNUSA-N 2 1 337.458 3.445 20 0 EGADMP S=c1[nH]ccn1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762502869 1301694871 /nfs/dbraw/zinc/69/48/71/1301694871.db2.gz ZCZFUCYELHRAPP-UHFFFAOYSA-N 2 1 342.512 3.117 20 0 EGADMP S=c1[nH]ccn1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762502869 1301694874 /nfs/dbraw/zinc/69/48/74/1301694874.db2.gz ZCZFUCYELHRAPP-UHFFFAOYSA-N 2 1 342.512 3.117 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2N)[C@@H](C)C1 ZINC000883003583 1302201069 /nfs/dbraw/zinc/20/10/69/1302201069.db2.gz WLGRPEWEMSJWSW-WMLDXEAASA-N 2 1 339.911 3.149 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2N)[C@@H](C)C1 ZINC000883003583 1302201081 /nfs/dbraw/zinc/20/10/81/1302201081.db2.gz WLGRPEWEMSJWSW-WMLDXEAASA-N 2 1 339.911 3.149 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000765872080 1302342962 /nfs/dbraw/zinc/34/29/62/1302342962.db2.gz UPEDCDHGCMGOFV-LRDDRELGSA-N 2 1 343.284 3.451 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000883572837 1302507617 /nfs/dbraw/zinc/50/76/17/1302507617.db2.gz PMMKTJSXYAXUHD-MRXNPFEDSA-N 2 1 338.455 3.056 20 0 EGADMP COc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(OC)c1 ZINC000768169594 1302841412 /nfs/dbraw/zinc/84/14/12/1302841412.db2.gz WDXCKIWUYCSKEM-UHFFFAOYSA-N 2 1 328.456 3.397 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000769684574 1303157076 /nfs/dbraw/zinc/15/70/76/1303157076.db2.gz NVMDAAUPPOCOEE-QZWWFDLISA-N 2 1 341.540 3.388 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000769684574 1303157079 /nfs/dbraw/zinc/15/70/79/1303157079.db2.gz NVMDAAUPPOCOEE-QZWWFDLISA-N 2 1 341.540 3.388 20 0 EGADMP CC[N@H+](Cc1ccc(C(=O)OCCn2cc[nH+]c2C)cc1)C(C)C ZINC000771944335 1303464556 /nfs/dbraw/zinc/46/45/56/1303464556.db2.gz WELCVGIHBWWMFI-UHFFFAOYSA-N 2 1 329.444 3.279 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)OCCn2cc[nH+]c2C)cc1)C(C)C ZINC000771944335 1303464560 /nfs/dbraw/zinc/46/45/60/1303464560.db2.gz WELCVGIHBWWMFI-UHFFFAOYSA-N 2 1 329.444 3.279 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000886606955 1303521330 /nfs/dbraw/zinc/52/13/30/1303521330.db2.gz IWFKUKNCZJRGJC-QRVBRYPASA-N 2 1 344.499 3.218 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000886606955 1303521334 /nfs/dbraw/zinc/52/13/34/1303521334.db2.gz IWFKUKNCZJRGJC-QRVBRYPASA-N 2 1 344.499 3.218 20 0 EGADMP CC[NH+](CC)CCOc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000774300856 1303795863 /nfs/dbraw/zinc/79/58/63/1303795863.db2.gz FFFJXEKLCQFSSN-YQQQUEKLSA-N 2 1 331.504 3.444 20 0 EGADMP C[NH+](C)CCOc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000774326925 1303798352 /nfs/dbraw/zinc/79/83/52/1303798352.db2.gz JLTZKOZHDMOEHJ-MQVJKMGUSA-N 2 1 337.895 3.318 20 0 EGADMP COc1ccccc1[C@H](NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000774408100 1303806339 /nfs/dbraw/zinc/80/63/39/1303806339.db2.gz FAEKIFLFAHNHIR-WAOWUJCRSA-N 2 1 344.499 3.379 20 0 EGADMP COc1ccccc1[C@H](NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000774408100 1303806344 /nfs/dbraw/zinc/80/63/44/1303806344.db2.gz FAEKIFLFAHNHIR-WAOWUJCRSA-N 2 1 344.499 3.379 20 0 EGADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)ccc1OC ZINC000776167066 1304104550 /nfs/dbraw/zinc/10/45/50/1304104550.db2.gz JRAXXAWGVJNETB-QGZVFWFLSA-N 3 1 345.531 3.450 20 0 EGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(N[C@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000777584466 1304321500 /nfs/dbraw/zinc/32/15/00/1304321500.db2.gz YZZRXNIKRSALMJ-LMMKCTJWSA-N 2 1 331.504 3.302 20 0 EGADMP C[C@@H]1CC[NH+](CCOc2ccc(N[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)C1 ZINC000777584466 1304321506 /nfs/dbraw/zinc/32/15/06/1304321506.db2.gz YZZRXNIKRSALMJ-LMMKCTJWSA-N 2 1 331.504 3.302 20 0 EGADMP C[C@@H]1CC[NH+](CCOc2ccc(N[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)C1 ZINC000777584466 1304321511 /nfs/dbraw/zinc/32/15/11/1304321511.db2.gz YZZRXNIKRSALMJ-LMMKCTJWSA-N 2 1 331.504 3.302 20 0 EGADMP C[C@@H]1C[C@@H](Nc2ccc(OCC[NH+](C)C)c(Cl)c2)CC[N@H+]1C ZINC000777649002 1304329959 /nfs/dbraw/zinc/32/99/59/1304329959.db2.gz BIQZDOFRSAWQFN-HIFRSBDPSA-N 2 1 325.884 3.175 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3C[C@](C)(C4CCCC4)CC3=O)C2)CC1 ZINC000780438540 1304691570 /nfs/dbraw/zinc/69/15/70/1304691570.db2.gz PBKAOKODOKORKK-WIYYLYMNSA-N 2 1 347.547 3.036 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCOC4CCC4)[C@@H]3C2)cc1 ZINC000781420794 1304825262 /nfs/dbraw/zinc/82/52/62/1304825262.db2.gz FFGLESAUTFIVRE-TYPHKJRUSA-N 2 1 328.500 3.446 20 0 EGADMP CCOC(=O)c1ncc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)s1 ZINC000892583796 1305453622 /nfs/dbraw/zinc/45/36/22/1305453622.db2.gz FJLGEHQASXQIAE-CQSZACIVSA-N 2 1 339.505 3.064 20 0 EGADMP Cc1cc(F)ncc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000892677018 1305501567 /nfs/dbraw/zinc/50/15/67/1305501567.db2.gz SNIUAOBJDLKHTE-INIZCTEOSA-N 2 1 343.446 3.040 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc1 ZINC000893021656 1305662114 /nfs/dbraw/zinc/66/21/14/1305662114.db2.gz VWGCOEGGPVPCOT-KDOFPFPSSA-N 2 1 331.485 3.324 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nc1 ZINC000893021656 1305662120 /nfs/dbraw/zinc/66/21/20/1305662120.db2.gz VWGCOEGGPVPCOT-KDOFPFPSSA-N 2 1 331.485 3.324 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000894021472 1306178646 /nfs/dbraw/zinc/17/86/46/1306178646.db2.gz VCMFEOPPKRULMD-GOSISDBHSA-N 2 1 326.488 3.181 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000894021472 1306178650 /nfs/dbraw/zinc/17/86/50/1306178650.db2.gz VCMFEOPPKRULMD-GOSISDBHSA-N 2 1 326.488 3.181 20 0 EGADMP CC(C)OCC[NH+]1CCC(NCc2nccc3ccccc32)CC1 ZINC000894324327 1306344098 /nfs/dbraw/zinc/34/40/98/1306344098.db2.gz YBZDCBLSHYFCRP-UHFFFAOYSA-N 2 1 327.472 3.214 20 0 EGADMP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894943720 1309131477 /nfs/dbraw/zinc/13/14/77/1309131477.db2.gz GQEXYVJBDVMQDT-TZUVLKIQSA-N 2 1 329.463 3.463 20 0 EGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)NC2CC2)cc1 ZINC000895377173 1309305770 /nfs/dbraw/zinc/30/57/70/1309305770.db2.gz KJCOIYZMWNUYOK-JXFKEZNVSA-N 2 1 343.515 3.131 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(C)c1C1CC1 ZINC000895693870 1309470137 /nfs/dbraw/zinc/47/01/37/1309470137.db2.gz NXNKDKUUYAHJFN-OXJNMPFZSA-N 2 1 338.499 3.155 20 0 EGADMP CN(CC[N@@H+](C)[C@@H]1CCc2cc(Cl)ccc21)C1CC[NH+](C)CC1 ZINC000795971357 1309873117 /nfs/dbraw/zinc/87/31/17/1309873117.db2.gz KMZDXCAYKBTYPT-LJQANCHMSA-N 2 1 335.923 3.285 20 0 EGADMP CCCCOC(=O)CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000796443614 1310001140 /nfs/dbraw/zinc/00/11/40/1310001140.db2.gz KDXQWSXCBDXVKY-NRFANRHFSA-N 2 1 344.499 3.318 20 0 EGADMP CCCCOC(=O)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000796443614 1310001149 /nfs/dbraw/zinc/00/11/49/1310001149.db2.gz KDXQWSXCBDXVKY-NRFANRHFSA-N 2 1 344.499 3.318 20 0 EGADMP CCCCOC(=O)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000796443614 1310001157 /nfs/dbraw/zinc/00/11/57/1310001157.db2.gz KDXQWSXCBDXVKY-NRFANRHFSA-N 2 1 344.499 3.318 20 0 EGADMP CCCCOC(=O)CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000796443614 1310001163 /nfs/dbraw/zinc/00/11/63/1310001163.db2.gz KDXQWSXCBDXVKY-NRFANRHFSA-N 2 1 344.499 3.318 20 0 EGADMP C[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796461121 1310006905 /nfs/dbraw/zinc/00/69/05/1310006905.db2.gz KCPPGFIYFIBSMT-CKQIIDDLSA-N 2 1 326.843 3.070 20 0 EGADMP C[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796461121 1310006913 /nfs/dbraw/zinc/00/69/13/1310006913.db2.gz KCPPGFIYFIBSMT-CKQIIDDLSA-N 2 1 326.843 3.070 20 0 EGADMP C[NH+](C[C@H](O)c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000796461121 1310006922 /nfs/dbraw/zinc/00/69/22/1310006922.db2.gz KCPPGFIYFIBSMT-CKQIIDDLSA-N 2 1 326.843 3.070 20 0 EGADMP C[NH+](C[C@H](O)c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000796461121 1310006928 /nfs/dbraw/zinc/00/69/28/1310006928.db2.gz KCPPGFIYFIBSMT-CKQIIDDLSA-N 2 1 326.843 3.070 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000897006829 1310132354 /nfs/dbraw/zinc/13/23/54/1310132354.db2.gz UUYPYGGNOBZTQR-PKOBYXMFSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000897006829 1310132357 /nfs/dbraw/zinc/13/23/57/1310132357.db2.gz UUYPYGGNOBZTQR-PKOBYXMFSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000897006829 1310132363 /nfs/dbraw/zinc/13/23/63/1310132363.db2.gz UUYPYGGNOBZTQR-PKOBYXMFSA-N 2 1 349.563 3.362 20 0 EGADMP CN(CCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)C(=O)OC(C)(C)C ZINC000797965747 1310276961 /nfs/dbraw/zinc/27/69/61/1310276961.db2.gz TUYRJWPMIPATMI-INIZCTEOSA-N 2 1 327.513 3.050 20 0 EGADMP CN(CCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)C(=O)OC(C)(C)C ZINC000797965747 1310276966 /nfs/dbraw/zinc/27/69/66/1310276966.db2.gz TUYRJWPMIPATMI-INIZCTEOSA-N 2 1 327.513 3.050 20 0 EGADMP CN(CCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C)C(=O)OC(C)(C)C ZINC000797965747 1310276971 /nfs/dbraw/zinc/27/69/71/1310276971.db2.gz TUYRJWPMIPATMI-INIZCTEOSA-N 2 1 327.513 3.050 20 0 EGADMP C([NH2+]CC1CCC2(CC1)OCCO2)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000798088149 1310293892 /nfs/dbraw/zinc/29/38/92/1310293892.db2.gz HZJHEMWTKCXJFC-LJQANCHMSA-N 2 1 336.520 3.306 20 0 EGADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799178683 1310500095 /nfs/dbraw/zinc/50/00/95/1310500095.db2.gz CTWMFHNZVWTKKI-QGZVFWFLSA-N 2 1 329.488 3.130 20 0 EGADMP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000799176933 1310500529 /nfs/dbraw/zinc/50/05/29/1310500529.db2.gz GRSFRGKHDNUSEJ-QGZVFWFLSA-N 2 1 343.515 3.384 20 0 EGADMP c1ccc([C@@H]2CC[NH+](CCC[N@H+]3CC[C@H](c4ccccn4)C3)C2)nc1 ZINC000799189892 1310501426 /nfs/dbraw/zinc/50/14/26/1310501426.db2.gz IGTMSURAIPAPRV-KDURUIRLSA-N 2 1 336.483 3.146 20 0 EGADMP c1ccc([C@@H]2CC[N@@H+](CCC[NH+]3CC[C@H](c4ccccn4)C3)C2)nc1 ZINC000799189892 1310501431 /nfs/dbraw/zinc/50/14/31/1310501431.db2.gz IGTMSURAIPAPRV-KDURUIRLSA-N 2 1 336.483 3.146 20 0 EGADMP c1ccc([C@@H]2CC[N@H+](CCC[NH+]3CC[C@H](c4ccccn4)C3)C2)nc1 ZINC000799189892 1310501437 /nfs/dbraw/zinc/50/14/37/1310501437.db2.gz IGTMSURAIPAPRV-KDURUIRLSA-N 2 1 336.483 3.146 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCOC23CCOCC3)cc1 ZINC000898114160 1310597209 /nfs/dbraw/zinc/59/72/09/1310597209.db2.gz ADBDZWJAFWFLJB-BEFAXECRSA-N 2 1 341.455 3.169 20 0 EGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000898392394 1310707566 /nfs/dbraw/zinc/70/75/66/1310707566.db2.gz RXLNNGZIGVOJKC-NTSGDEEZSA-N 2 1 336.479 3.287 20 0 EGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000898392394 1310707573 /nfs/dbraw/zinc/70/75/73/1310707573.db2.gz RXLNNGZIGVOJKC-NTSGDEEZSA-N 2 1 336.479 3.287 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CCC34CCOCC4)C2)cc1 ZINC000800473609 1310764882 /nfs/dbraw/zinc/76/48/82/1310764882.db2.gz BMRMKXDWZIQXOR-UXHICEINSA-N 2 1 328.500 3.447 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824416766 1320255809 /nfs/dbraw/zinc/25/58/09/1320255809.db2.gz NQMKPTPRBSFGEE-BRWVUGGUSA-N 2 1 341.540 3.340 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824416766 1320255811 /nfs/dbraw/zinc/25/58/11/1320255811.db2.gz NQMKPTPRBSFGEE-BRWVUGGUSA-N 2 1 341.540 3.340 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000839180454 1320887161 /nfs/dbraw/zinc/88/71/61/1320887161.db2.gz DEWUZVSQJUQNBI-IAGOWNOFSA-N 2 1 329.488 3.196 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000839480082 1320927535 /nfs/dbraw/zinc/92/75/35/1320927535.db2.gz OZYOJDXGTHRQSF-HXUWFJFHSA-N 2 1 344.499 3.257 20 0 EGADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857281351 1328525909 /nfs/dbraw/zinc/52/59/09/1328525909.db2.gz YFWPRTBNGPDWAT-WOJBJXKFSA-N 2 1 343.515 3.052 20 0 EGADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857281351 1328525911 /nfs/dbraw/zinc/52/59/11/1328525911.db2.gz YFWPRTBNGPDWAT-WOJBJXKFSA-N 2 1 343.515 3.052 20 0 EGADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857281351 1328525913 /nfs/dbraw/zinc/52/59/13/1328525913.db2.gz YFWPRTBNGPDWAT-WOJBJXKFSA-N 2 1 343.515 3.052 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC000957286784 1317261856 /nfs/dbraw/zinc/26/18/56/1317261856.db2.gz FTRROSDSTQWCOL-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000858167569 1328701895 /nfs/dbraw/zinc/70/18/95/1328701895.db2.gz VALGMKRWEKNFOL-DOTOQJQBSA-N 2 1 344.503 3.130 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)CC1 ZINC000957603710 1317492529 /nfs/dbraw/zinc/49/25/29/1317492529.db2.gz VPVABFFEWKRIHC-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001020029175 1317508545 /nfs/dbraw/zinc/50/85/45/1317508545.db2.gz XARNKPGMIKZGGV-HUYLIWGRSA-N 2 1 343.515 3.202 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)ccc2NC)[C@@H](C)C1 ZINC000902245360 1317552343 /nfs/dbraw/zinc/55/23/43/1317552343.db2.gz QCKBUKBHOVHULV-HKUYNNGSSA-N 2 1 333.520 3.263 20 0 EGADMP CC[N@H+](CC1=CCCCC1)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000957689377 1317557676 /nfs/dbraw/zinc/55/76/76/1317557676.db2.gz BAQSIZTVPPBCBS-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+](CC1=CCCCC1)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000957689377 1317557680 /nfs/dbraw/zinc/55/76/80/1317557680.db2.gz BAQSIZTVPPBCBS-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+](CC1=CCCCC1)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000957689377 1317557685 /nfs/dbraw/zinc/55/76/85/1317557685.db2.gz BAQSIZTVPPBCBS-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000957690937 1317558060 /nfs/dbraw/zinc/55/80/60/1317558060.db2.gz VLVRDJFNXMHMKI-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC1CC(C)(C)C1)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000957690937 1317558066 /nfs/dbraw/zinc/55/80/66/1317558066.db2.gz VLVRDJFNXMHMKI-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC1CC(C)(C)C1)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000957690937 1317558069 /nfs/dbraw/zinc/55/80/69/1317558069.db2.gz VLVRDJFNXMHMKI-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000902437499 1317579141 /nfs/dbraw/zinc/57/91/41/1317579141.db2.gz JOKYXKCCEHPLPQ-JCXROGDPSA-N 2 1 335.495 3.254 20 0 EGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000902453292 1317580803 /nfs/dbraw/zinc/58/08/03/1317580803.db2.gz OTHUEKOHOQRDSI-NWDGAFQWSA-N 2 1 348.082 3.181 20 0 EGADMP CC[N@@H+](CC1CCCC1)CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000957720549 1317588912 /nfs/dbraw/zinc/58/89/12/1317588912.db2.gz RCIKLWIBYGCQGQ-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020238775 1317603850 /nfs/dbraw/zinc/60/38/50/1317603850.db2.gz CATVNTDSSXTVLP-UFYCRDLUSA-N 2 1 349.563 3.457 20 0 EGADMP CCO[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1 ZINC000902800946 1317618937 /nfs/dbraw/zinc/61/89/37/1317618937.db2.gz XWXIGYQMAZUBPM-OALUTQOASA-N 2 1 349.519 3.441 20 0 EGADMP CC[C@@H](C(=O)N1CCC(C[N@@H+](CC)CC2=CCCCC2)CC1)[NH+](C)C ZINC000957753614 1317621460 /nfs/dbraw/zinc/62/14/60/1317621460.db2.gz YNMIJZAMFRSFIH-FQEVSTJZSA-N 2 1 349.563 3.388 20 0 EGADMP CC[N@@H+](CC1CCCC1)CC1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000957753523 1317622651 /nfs/dbraw/zinc/62/26/51/1317622651.db2.gz UGNSLXFNYNMWMG-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC1CCCC1)CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000957753523 1317622659 /nfs/dbraw/zinc/62/26/59/1317622659.db2.gz UGNSLXFNYNMWMG-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC1CCCC1)CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000957753523 1317622665 /nfs/dbraw/zinc/62/26/65/1317622665.db2.gz UGNSLXFNYNMWMG-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001020289266 1317628072 /nfs/dbraw/zinc/62/80/72/1317628072.db2.gz WHQPUYDHQBUYCI-MUGJNUQGSA-N 2 1 345.531 3.131 20 0 EGADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC000957779796 1317643729 /nfs/dbraw/zinc/64/37/29/1317643729.db2.gz ZOBXPBACUAPWRA-ICSRJNTNSA-N 2 1 343.515 3.075 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC000957779796 1317643734 /nfs/dbraw/zinc/64/37/34/1317643734.db2.gz ZOBXPBACUAPWRA-ICSRJNTNSA-N 2 1 343.515 3.075 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[NH+]1CCCC1 ZINC000957782701 1317644201 /nfs/dbraw/zinc/64/42/01/1317644201.db2.gz PLGIZHCGLSBNAA-UYAOXDASSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc2c(c1)OCO2 ZINC000903083684 1317648676 /nfs/dbraw/zinc/64/86/76/1317648676.db2.gz LRLQCNAAXSOTFM-ZNXRZULTSA-N 2 1 342.483 3.440 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc3c(c1)CCC3)C2 ZINC000903116313 1317655873 /nfs/dbraw/zinc/65/58/73/1317655873.db2.gz GSZJTFFBZMZZRV-MCBQPRCJSA-N 2 1 342.527 3.306 20 0 EGADMP CCOc1cccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000903118315 1317656972 /nfs/dbraw/zinc/65/69/72/1317656972.db2.gz XGBYOEONVFRPSM-SHQCPXRQSA-N 2 1 346.515 3.216 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000903129622 1317660039 /nfs/dbraw/zinc/66/00/39/1317660039.db2.gz ZMRAMAQBTVIWEE-IVDHNXQLSA-N 2 1 342.483 3.113 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CCO)cc1 ZINC000903396190 1317696124 /nfs/dbraw/zinc/69/61/24/1317696124.db2.gz KJTVVJGJPMLSDN-XMSQKQJNSA-N 2 1 338.495 3.222 20 0 EGADMP O[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C1CC1 ZINC000903404814 1317696551 /nfs/dbraw/zinc/69/65/51/1317696551.db2.gz ADPGABBSYGSIGF-DOIPELPJSA-N 2 1 328.500 3.180 20 0 EGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000808732662 1317725561 /nfs/dbraw/zinc/72/55/61/1317725561.db2.gz NKGYKRSRKYBXPU-SFHVURJKSA-N 2 1 346.563 3.431 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000808732662 1317725569 /nfs/dbraw/zinc/72/55/69/1317725569.db2.gz NKGYKRSRKYBXPU-SFHVURJKSA-N 2 1 346.563 3.431 20 0 EGADMP c1ccc(C[C@@H]2CCC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903728999 1317725820 /nfs/dbraw/zinc/72/58/20/1317725820.db2.gz JBABEAHVMYFHPQ-VQTJNVASSA-N 2 1 328.500 3.100 20 0 EGADMP Clc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903727963 1317726443 /nfs/dbraw/zinc/72/64/43/1317726443.db2.gz ZZPICNGQUUYJLO-JENIJYKNSA-N 2 1 334.891 3.116 20 0 EGADMP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903734611 1317727517 /nfs/dbraw/zinc/72/75/17/1317727517.db2.gz SVMTVDZMSMPETP-AYOQOUSVSA-N 2 1 332.463 3.367 20 0 EGADMP c1c2c(oc1-c1ccccc1)C[N@@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903734673 1317727716 /nfs/dbraw/zinc/72/77/16/1317727716.db2.gz UUQBDCFGUHSIBP-NQIIRXRSSA-N 2 1 338.451 3.073 20 0 EGADMP CC(C)c1csc([C@@H]2CCC[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903739684 1317728939 /nfs/dbraw/zinc/72/89/39/1317728939.db2.gz NXXUTDDKRAIXRF-MDZRGWNJSA-N 2 1 349.544 3.215 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2noc3c2COCC3)CC1 ZINC000929843509 1328718258 /nfs/dbraw/zinc/71/82/58/1328718258.db2.gz XYATUIYOLLBLJI-MRXNPFEDSA-N 2 1 347.503 3.224 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2noc3c2COCC3)CC1 ZINC000929843509 1328718263 /nfs/dbraw/zinc/71/82/63/1328718263.db2.gz XYATUIYOLLBLJI-MRXNPFEDSA-N 2 1 347.503 3.224 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2noc3c2COCC3)CC1 ZINC000929843509 1328718267 /nfs/dbraw/zinc/71/82/67/1328718267.db2.gz XYATUIYOLLBLJI-MRXNPFEDSA-N 2 1 347.503 3.224 20 0 EGADMP CC1(C)C[C@H](c2ccccc2)C[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903788726 1317733755 /nfs/dbraw/zinc/73/37/55/1317733755.db2.gz PEXKRZBRYUMBCH-RBUKOAKNSA-N 2 1 328.500 3.413 20 0 EGADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[NH2+]CCC34CCOCC4)C2)cc1 ZINC000903818793 1317737616 /nfs/dbraw/zinc/73/76/16/1317737616.db2.gz VPFDVWYLKDQCLV-UYAOXDASSA-N 2 1 328.500 3.415 20 0 EGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000903848856 1317739470 /nfs/dbraw/zinc/73/94/70/1317739470.db2.gz UHKPEOMIBNZIAI-TUAOUCFPSA-N 2 1 342.270 3.134 20 0 EGADMP c1ccc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903974318 1317759801 /nfs/dbraw/zinc/75/98/01/1317759801.db2.gz UDUXJDFWWBOCKN-SLFFLAALSA-N 2 1 328.500 3.146 20 0 EGADMP C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)c1ccccc1Cl ZINC001020586723 1317790784 /nfs/dbraw/zinc/79/07/84/1317790784.db2.gz XFDWZCNGBFLXON-FZKCQIBNSA-N 2 1 349.906 3.122 20 0 EGADMP C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@]1(C)CCC[NH2+]C1 ZINC000904312585 1317829158 /nfs/dbraw/zinc/82/91/58/1317829158.db2.gz KMHWXQZFPLQAKU-HXUWFJFHSA-N 2 1 344.478 3.470 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)ccc1OCC(F)(F)F ZINC000904405497 1317843717 /nfs/dbraw/zinc/84/37/17/1317843717.db2.gz MCOVQKZAAMJQBW-ZDUSSCGKSA-N 2 1 346.393 3.197 20 0 EGADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC2([NH3+])CC2)cc1 ZINC000904451040 1317849352 /nfs/dbraw/zinc/84/93/52/1317849352.db2.gz VKCJQXDYLANUJH-UHFFFAOYSA-N 2 1 348.450 3.129 20 0 EGADMP Cn1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(C(C)(C)C)n1 ZINC000809738781 1317884017 /nfs/dbraw/zinc/88/40/17/1317884017.db2.gz JLXMXOQXNMXJRE-UHFFFAOYSA-N 2 1 328.504 3.411 20 0 EGADMP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000810254743 1317987291 /nfs/dbraw/zinc/98/72/91/1317987291.db2.gz QFCFXJXXQSPRLC-ILXRZTDVSA-N 2 1 334.451 3.062 20 0 EGADMP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000810254743 1317987296 /nfs/dbraw/zinc/98/72/96/1317987296.db2.gz QFCFXJXXQSPRLC-ILXRZTDVSA-N 2 1 334.451 3.062 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)c2cc(C[NH3+])ccn2)cc1 ZINC000906226517 1318057492 /nfs/dbraw/zinc/05/74/92/1318057492.db2.gz CFNXOAURLQBDJB-UHFFFAOYSA-N 2 1 340.471 3.049 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001021049586 1318059783 /nfs/dbraw/zinc/05/97/83/1318059783.db2.gz QQBPTJGRGVVWAS-HUYLIWGRSA-N 2 1 343.515 3.060 20 0 EGADMP CN(C)c1cc[nH+]c(NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000811864810 1318281575 /nfs/dbraw/zinc/28/15/75/1318281575.db2.gz MHDOHJDXZWAMHV-SFHVURJKSA-N 2 1 339.487 3.257 20 0 EGADMP CN(C)c1cc[nH+]c(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000811864810 1318281582 /nfs/dbraw/zinc/28/15/82/1318281582.db2.gz MHDOHJDXZWAMHV-SFHVURJKSA-N 2 1 339.487 3.257 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC000960007766 1318309495 /nfs/dbraw/zinc/30/94/95/1318309495.db2.gz HIBYJJXDNBBMIR-WMZOPIPTSA-N 2 1 346.519 3.167 20 0 EGADMP CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021682593 1318554954 /nfs/dbraw/zinc/55/49/54/1318554954.db2.gz RTYCQYMSNMDYAK-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021682593 1318554959 /nfs/dbraw/zinc/55/49/59/1318554959.db2.gz RTYCQYMSNMDYAK-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021703939 1318576241 /nfs/dbraw/zinc/57/62/41/1318576241.db2.gz CXAGATXGOBSYAH-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[C@H]1CN(c2cc[nH+]c(CO)c2)CC[N@H+]1Cc1ccccc1 ZINC000858469520 1328770736 /nfs/dbraw/zinc/77/07/36/1328770736.db2.gz VRRBLCPMEKWEDL-FQEVSTJZSA-N 2 1 325.456 3.065 20 0 EGADMP CC[C@H](CO)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000930071658 1328777723 /nfs/dbraw/zinc/77/77/23/1328777723.db2.gz JTHIGXMTVXCSQI-MRXNPFEDSA-N 2 1 344.421 3.373 20 0 EGADMP CC[C@H](CO)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000930071658 1328777728 /nfs/dbraw/zinc/77/77/28/1328777728.db2.gz JTHIGXMTVXCSQI-MRXNPFEDSA-N 2 1 344.421 3.373 20 0 EGADMP CC[C@H](CO)[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000930071658 1328777730 /nfs/dbraw/zinc/77/77/30/1328777730.db2.gz JTHIGXMTVXCSQI-MRXNPFEDSA-N 2 1 344.421 3.373 20 0 EGADMP CC[C@H](CO)[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000930071658 1328777731 /nfs/dbraw/zinc/77/77/31/1328777731.db2.gz JTHIGXMTVXCSQI-MRXNPFEDSA-N 2 1 344.421 3.373 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC000960679222 1318789851 /nfs/dbraw/zinc/78/98/51/1318789851.db2.gz CERVBQSGGQCNTK-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC000960679222 1318789857 /nfs/dbraw/zinc/78/98/57/1318789857.db2.gz CERVBQSGGQCNTK-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC000960679222 1318789864 /nfs/dbraw/zinc/78/98/64/1318789864.db2.gz CERVBQSGGQCNTK-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000814657835 1318794964 /nfs/dbraw/zinc/79/49/64/1318794964.db2.gz SXHFEQZIQPRATP-RDJZCZTQSA-N 2 1 331.460 3.168 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001022163843 1318825940 /nfs/dbraw/zinc/82/59/40/1318825940.db2.gz AQYPZTCXNVGLOD-CEXWTWQISA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCC1 ZINC000960720488 1318830041 /nfs/dbraw/zinc/83/00/41/1318830041.db2.gz UTWKRCOLXUFBBC-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1 ZINC000960720488 1318830048 /nfs/dbraw/zinc/83/00/48/1318830048.db2.gz UTWKRCOLXUFBBC-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC000960720488 1318830054 /nfs/dbraw/zinc/83/00/54/1318830054.db2.gz UTWKRCOLXUFBBC-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1)CC1CCCCC1 ZINC000960785753 1318886552 /nfs/dbraw/zinc/88/65/52/1318886552.db2.gz IQOHYEPNMIXYNC-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP C[N@H+](Cc1ccsc1)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC000960785723 1318887393 /nfs/dbraw/zinc/88/73/93/1318887393.db2.gz IBEDTMHFKZGYQC-KRWDZBQOSA-N 2 1 349.544 3.045 20 0 EGADMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815143208 1318909070 /nfs/dbraw/zinc/90/90/70/1318909070.db2.gz GXEICZNJGWSACR-IRXDYDNUSA-N 2 1 342.405 3.157 20 0 EGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815143208 1318909079 /nfs/dbraw/zinc/90/90/79/1318909079.db2.gz GXEICZNJGWSACR-IRXDYDNUSA-N 2 1 342.405 3.157 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815143208 1318909085 /nfs/dbraw/zinc/90/90/85/1318909085.db2.gz GXEICZNJGWSACR-IRXDYDNUSA-N 2 1 342.405 3.157 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815143208 1318909091 /nfs/dbraw/zinc/90/90/91/1318909091.db2.gz GXEICZNJGWSACR-IRXDYDNUSA-N 2 1 342.405 3.157 20 0 EGADMP Cc1cccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC000960843267 1318977514 /nfs/dbraw/zinc/97/75/14/1318977514.db2.gz JBQUQSZYESGFNR-WOJBJXKFSA-N 2 1 345.531 3.004 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001022585001 1319004296 /nfs/dbraw/zinc/00/42/96/1319004296.db2.gz INIGPMLZFXHTQZ-AQNXPRMDSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3ccccc3)C2)C1 ZINC001022585237 1319004384 /nfs/dbraw/zinc/00/43/84/1319004384.db2.gz LTMDEBDBYJMMSJ-OJAHFUOMSA-N 2 1 343.515 3.106 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C)c(C)c1)[NH+](C)C ZINC000960871450 1319015998 /nfs/dbraw/zinc/01/59/98/1319015998.db2.gz XIUABOYTRXUSHG-PMACEKPBSA-N 2 1 345.531 3.066 20 0 EGADMP CCc1cccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@H](CC)[NH+](C)C)c1 ZINC000960885688 1319022163 /nfs/dbraw/zinc/02/21/63/1319022163.db2.gz VGIOSLQPXOGGKU-UXHICEINSA-N 2 1 345.531 3.012 20 0 EGADMP C[C@H](CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1)n1ccnc1 ZINC000960905020 1319047272 /nfs/dbraw/zinc/04/72/72/1319047272.db2.gz UUJNNUMVEAMIHE-AEFFLSMTSA-N 2 1 346.519 3.193 20 0 EGADMP C[N@@H+](C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1)CC1CCCCCC1 ZINC000960979141 1319113286 /nfs/dbraw/zinc/11/32/86/1319113286.db2.gz OURBHIPKHRNFQT-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1)CC1CCCCCC1 ZINC000960979141 1319113292 /nfs/dbraw/zinc/11/32/92/1319113292.db2.gz OURBHIPKHRNFQT-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1)CC1CCCCCC1 ZINC000960979141 1319113298 /nfs/dbraw/zinc/11/32/98/1319113298.db2.gz OURBHIPKHRNFQT-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001022807677 1319119323 /nfs/dbraw/zinc/11/93/23/1319119323.db2.gz KKWUIJAMYGBVSJ-OTWHNJEPSA-N 2 1 335.536 3.066 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC000961031737 1319155654 /nfs/dbraw/zinc/15/56/54/1319155654.db2.gz OFDVQZJBDFGWML-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC000961031737 1319155662 /nfs/dbraw/zinc/15/56/62/1319155662.db2.gz OFDVQZJBDFGWML-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000961031737 1319155667 /nfs/dbraw/zinc/15/56/67/1319155667.db2.gz OFDVQZJBDFGWML-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1)c1ccccc1 ZINC000961031694 1319156209 /nfs/dbraw/zinc/15/62/09/1319156209.db2.gz MERPSVXQZQRGRK-WOJBJXKFSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1)c1ccccc1 ZINC000961031694 1319156213 /nfs/dbraw/zinc/15/62/13/1319156213.db2.gz MERPSVXQZQRGRK-WOJBJXKFSA-N 2 1 343.515 3.012 20 0 EGADMP C[N@@H+](C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1)CC1CCC(C)(C)CC1 ZINC000961031587 1319156421 /nfs/dbraw/zinc/15/64/21/1319156421.db2.gz ZQKPPQASLTYAID-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1)CC1CCC(C)(C)CC1 ZINC000961031587 1319156425 /nfs/dbraw/zinc/15/64/25/1319156425.db2.gz ZQKPPQASLTYAID-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)CC1CCC(C)(C)CC1 ZINC000961031587 1319156429 /nfs/dbraw/zinc/15/64/29/1319156429.db2.gz ZQKPPQASLTYAID-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)C[C@H]2CCCN2C(=O)C[NH+]2CCCC2)c1 ZINC000961034590 1319159608 /nfs/dbraw/zinc/15/96/08/1319159608.db2.gz NWXLCIRQWAEDKJ-UYAOXDASSA-N 2 1 343.515 3.075 20 0 EGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2cnn(C)c2Cl)CC1 ZINC000816566992 1319184414 /nfs/dbraw/zinc/18/44/14/1319184414.db2.gz NPLKODXLPKNRIM-UHFFFAOYSA-N 2 1 326.916 3.408 20 0 EGADMP CCCCC[C@@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000816839740 1319231469 /nfs/dbraw/zinc/23/14/69/1319231469.db2.gz OORCWHAGHQCOCK-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001023130874 1319276151 /nfs/dbraw/zinc/27/61/51/1319276151.db2.gz KAROTXGKBAEPTM-GNBUJSLZSA-N 2 1 343.515 3.167 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1)c1ccccc1 ZINC001023128916 1319276195 /nfs/dbraw/zinc/27/61/95/1319276195.db2.gz YPFMMOCRYOURDG-WCIQWLHISA-N 2 1 343.515 3.249 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961189312 1319303457 /nfs/dbraw/zinc/30/34/57/1319303457.db2.gz ZCEFJLPCGMVZTK-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2Br)c2ccccc21 ZINC000817936284 1319464896 /nfs/dbraw/zinc/46/48/96/1319464896.db2.gz RJPRNUDRSBGQQR-IXDOHACOSA-N 2 1 347.256 3.217 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ncc(Br)s1 ZINC000817947958 1319473539 /nfs/dbraw/zinc/47/35/39/1319473539.db2.gz HFUHMYHFEXYAMS-JTQLQIEISA-N 2 1 340.290 3.258 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961343986 1319498248 /nfs/dbraw/zinc/49/82/48/1319498248.db2.gz YXTNWVYIAUBZQR-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961343986 1319498252 /nfs/dbraw/zinc/49/82/52/1319498252.db2.gz YXTNWVYIAUBZQR-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000961343986 1319498258 /nfs/dbraw/zinc/49/82/58/1319498258.db2.gz YXTNWVYIAUBZQR-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961343987 1319498749 /nfs/dbraw/zinc/49/87/49/1319498749.db2.gz YXTNWVYIAUBZQR-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961343987 1319498754 /nfs/dbraw/zinc/49/87/54/1319498754.db2.gz YXTNWVYIAUBZQR-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000961343987 1319498758 /nfs/dbraw/zinc/49/87/58/1319498758.db2.gz YXTNWVYIAUBZQR-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961434748 1319588430 /nfs/dbraw/zinc/58/84/30/1319588430.db2.gz HHDUWFGXFNXVNB-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000961434748 1319588435 /nfs/dbraw/zinc/58/84/35/1319588435.db2.gz HHDUWFGXFNXVNB-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)c2ccc(F)cc2F)C1 ZINC000818959910 1319590071 /nfs/dbraw/zinc/59/00/71/1319590071.db2.gz VSCVIXJSIRTBLW-KDOFPFPSSA-N 2 1 326.431 3.100 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000818962581 1319593884 /nfs/dbraw/zinc/59/38/84/1319593884.db2.gz TVQSXLPGVJRKDE-FQEVSTJZSA-N 2 1 330.447 3.489 20 0 EGADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000818988987 1319606897 /nfs/dbraw/zinc/60/68/97/1319606897.db2.gz XSIWMXUQXNBBTL-QFBILLFUSA-N 2 1 330.497 3.283 20 0 EGADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000818988987 1319606908 /nfs/dbraw/zinc/60/69/08/1319606908.db2.gz XSIWMXUQXNBBTL-QFBILLFUSA-N 2 1 330.497 3.283 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000819151819 1319649525 /nfs/dbraw/zinc/64/95/25/1319649525.db2.gz FLWDBOSZSLJTEE-PBHICJAKSA-N 2 1 344.421 3.306 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000819182154 1319659082 /nfs/dbraw/zinc/65/90/82/1319659082.db2.gz JIMCTHOHQCCGGW-RDTXWAMCSA-N 2 1 342.886 3.470 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH+](CCCC3CCC3)C2)CC[N@H+]1C ZINC001023554979 1319665990 /nfs/dbraw/zinc/66/59/90/1319665990.db2.gz SECJGYFCPDDRTI-SXLOBPIMSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@H+](CCCC3CCC3)C2)CC[NH+]1C ZINC001023554979 1319665997 /nfs/dbraw/zinc/66/59/97/1319665997.db2.gz SECJGYFCPDDRTI-SXLOBPIMSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CCCC3CCC3)C2)CC[NH+]1C ZINC001023554979 1319666004 /nfs/dbraw/zinc/66/60/04/1319666004.db2.gz SECJGYFCPDDRTI-SXLOBPIMSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000917010586 1319736700 /nfs/dbraw/zinc/73/67/00/1319736700.db2.gz SSHQCVMOXJBXAH-NRFANRHFSA-N 2 1 342.458 3.422 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646103 1319766424 /nfs/dbraw/zinc/76/64/24/1319766424.db2.gz HZRFYIPVHWHZLA-LJQANCHMSA-N 2 1 345.531 3.236 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001023696822 1319822681 /nfs/dbraw/zinc/82/26/81/1319822681.db2.gz XIFRSPBGEMGZAX-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001023696822 1319822690 /nfs/dbraw/zinc/82/26/90/1319822690.db2.gz XIFRSPBGEMGZAX-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001023696822 1319822699 /nfs/dbraw/zinc/82/26/99/1319822699.db2.gz XIFRSPBGEMGZAX-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001023696824 1319823642 /nfs/dbraw/zinc/82/36/42/1319823642.db2.gz XIFRSPBGEMGZAX-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001023696824 1319823651 /nfs/dbraw/zinc/82/36/51/1319823651.db2.gz XIFRSPBGEMGZAX-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001023696824 1319823658 /nfs/dbraw/zinc/82/36/58/1319823658.db2.gz XIFRSPBGEMGZAX-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCCC)C1 ZINC001023696984 1319824032 /nfs/dbraw/zinc/82/40/32/1319824032.db2.gz ZSDZRGREVJVZQG-RTBURBONSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696984 1319824035 /nfs/dbraw/zinc/82/40/35/1319824035.db2.gz ZSDZRGREVJVZQG-RTBURBONSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001023696984 1319824042 /nfs/dbraw/zinc/82/40/42/1319824042.db2.gz ZSDZRGREVJVZQG-RTBURBONSA-N 2 1 337.552 3.269 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC(C[NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC000962308504 1319909852 /nfs/dbraw/zinc/90/98/52/1319909852.db2.gz GKQSIWATPCIMCC-IVMQYODDSA-N 2 1 349.563 3.029 20 0 EGADMP C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820814115 1319958540 /nfs/dbraw/zinc/95/85/40/1319958540.db2.gz FSYBMTOXGWQVLT-SRWPAKMTSA-N 2 1 332.463 3.385 20 0 EGADMP CCCNC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000822933066 1320138150 /nfs/dbraw/zinc/13/81/50/1320138150.db2.gz GFGUPJQEZYMSIK-CTXDPNEZSA-N 2 1 341.499 3.074 20 0 EGADMP CCCNC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000822933066 1320138151 /nfs/dbraw/zinc/13/81/51/1320138151.db2.gz GFGUPJQEZYMSIK-CTXDPNEZSA-N 2 1 341.499 3.074 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000823666831 1320196379 /nfs/dbraw/zinc/19/63/79/1320196379.db2.gz TZAZHLLULQESLP-IXDOHACOSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000825331311 1320328675 /nfs/dbraw/zinc/32/86/75/1320328675.db2.gz CXRCDUIQBQNPTM-CABCVRRESA-N 2 1 327.513 3.142 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000825331311 1320328678 /nfs/dbraw/zinc/32/86/78/1320328678.db2.gz CXRCDUIQBQNPTM-CABCVRRESA-N 2 1 327.513 3.142 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2CN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000859155672 1328933582 /nfs/dbraw/zinc/93/35/82/1328933582.db2.gz ODAJWYZMPTTXAE-WBVHZDCISA-N 2 1 339.524 3.048 20 0 EGADMP O[C@@H](C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1)c1ccsc1 ZINC000842473115 1321393329 /nfs/dbraw/zinc/39/33/29/1321393329.db2.gz POEDLDJCQPUKIV-APWZRJJASA-N 2 1 330.497 3.283 20 0 EGADMP [NH3+]CCCCCCC[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000842478671 1321393884 /nfs/dbraw/zinc/39/38/84/1321393884.db2.gz MCMLKLYXIPCJPV-UHFFFAOYSA-N 2 1 330.451 3.279 20 0 EGADMP COc1ccc([C@H](CC(C)C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000842838427 1321439782 /nfs/dbraw/zinc/43/97/82/1321439782.db2.gz OBDPLMJYLPBSBJ-IHPCNDPISA-N 2 1 332.488 3.235 20 0 EGADMP COc1ccc([C@H](CC(C)C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000842838427 1321439788 /nfs/dbraw/zinc/43/97/88/1321439788.db2.gz OBDPLMJYLPBSBJ-IHPCNDPISA-N 2 1 332.488 3.235 20 0 EGADMP CCC[N@@H+](Cc1ccc(OC(=O)CC)c(OCC)c1)C1CC[NH2+]CC1 ZINC000843044608 1321460448 /nfs/dbraw/zinc/46/04/48/1321460448.db2.gz LQAFAYAWUGDUBZ-UHFFFAOYSA-N 2 1 348.487 3.365 20 0 EGADMP CC(C)n1ncc2cc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)c(Cl)nc21 ZINC000843058186 1321464297 /nfs/dbraw/zinc/46/42/97/1321464297.db2.gz OATOFVDFZZUNGU-APHBMKBZSA-N 2 1 347.894 3.225 20 0 EGADMP CC(C)n1ncc2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)c(Cl)nc21 ZINC000843058186 1321464301 /nfs/dbraw/zinc/46/43/01/1321464301.db2.gz OATOFVDFZZUNGU-APHBMKBZSA-N 2 1 347.894 3.225 20 0 EGADMP CC(C)[C@H]([NH3+])c1noc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000843152142 1321479761 /nfs/dbraw/zinc/47/97/61/1321479761.db2.gz QJHLXWYTKGDFAK-HOCLYGCPSA-N 2 1 332.423 3.244 20 0 EGADMP CC1CC[NH+](Cc2ccc(-c3noc(C[NH2+]C4CC4)n3)cc2)CC1 ZINC000843200698 1321486581 /nfs/dbraw/zinc/48/65/81/1321486581.db2.gz QNFKNDCYWABRNA-UHFFFAOYSA-N 2 1 326.444 3.221 20 0 EGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1nc(-c2cccc(Cl)c2)no1 ZINC000843360891 1321506027 /nfs/dbraw/zinc/50/60/27/1321506027.db2.gz LOCDGEWYLIOWRE-MQVJKMGUSA-N 2 1 346.862 3.277 20 0 EGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1nc(-c2cccc(Cl)c2)no1 ZINC000843360891 1321506029 /nfs/dbraw/zinc/50/60/29/1321506029.db2.gz LOCDGEWYLIOWRE-MQVJKMGUSA-N 2 1 346.862 3.277 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)c2cc1C(C)C ZINC000843368382 1321507593 /nfs/dbraw/zinc/50/75/93/1321507593.db2.gz RITGNFOFPJFRPP-OAQYLSRUSA-N 2 1 340.467 3.410 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)c2cc1C(C)C ZINC000843368382 1321507596 /nfs/dbraw/zinc/50/75/96/1321507596.db2.gz RITGNFOFPJFRPP-OAQYLSRUSA-N 2 1 340.467 3.410 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC000844322019 1321589582 /nfs/dbraw/zinc/58/95/82/1321589582.db2.gz XQRLQHIGWAICSS-QGZVFWFLSA-N 2 1 341.540 3.488 20 0 EGADMP CCc1ccc2c(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])cc(=O)oc2c1 ZINC000846226432 1321778027 /nfs/dbraw/zinc/77/80/27/1321778027.db2.gz NASNLVGFJKBLMH-RDTXWAMCSA-N 2 1 328.456 3.305 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(Cl)nc(Cl)c3)C2)C1 ZINC000846225950 1321778196 /nfs/dbraw/zinc/77/81/96/1321778196.db2.gz RVSCMABFBZDLJL-MGPQQGTHSA-N 2 1 344.286 3.107 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)nc(Cl)c3)C2)C1 ZINC000846225950 1321778199 /nfs/dbraw/zinc/77/81/99/1321778199.db2.gz RVSCMABFBZDLJL-MGPQQGTHSA-N 2 1 344.286 3.107 20 0 EGADMP CCC(CC)Nc1cc[nH+]cc1NC(=O)CCCn1cc[nH+]c1C ZINC000848108710 1321932907 /nfs/dbraw/zinc/93/29/07/1321932907.db2.gz ULQKYIMUFKOIQR-UHFFFAOYSA-N 2 1 329.448 3.028 20 0 EGADMP C[C@H]1C[C@@H](CCNC(=[NH2+])NC2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000848989173 1322056904 /nfs/dbraw/zinc/05/69/04/1322056904.db2.gz CSLRHPFBGAQMNW-FUHWJXTLSA-N 2 1 328.504 3.344 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000849097276 1322076932 /nfs/dbraw/zinc/07/69/32/1322076932.db2.gz LLLDYEZYWFARBE-LSTHTHJFSA-N 2 1 336.483 3.294 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(-c2ccco2)cc1F ZINC000849111073 1322082210 /nfs/dbraw/zinc/08/22/10/1322082210.db2.gz USNPLWWVFJQQFZ-INIZCTEOSA-N 2 1 344.434 3.184 20 0 EGADMP C[N@@H+](CCCCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)C1CC1 ZINC000849116862 1322085320 /nfs/dbraw/zinc/08/53/20/1322085320.db2.gz ZCGDVBXTSSFJFI-UHFFFAOYSA-N 2 1 344.381 3.396 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1F ZINC000920425826 1322176205 /nfs/dbraw/zinc/17/62/05/1322176205.db2.gz QHUQPDRXLWQFLV-LJQANCHMSA-N 2 1 343.377 3.282 20 0 EGADMP Fc1cc(CNCc2cnn(CC3CCC3)c2)ccc1-n1ccnc1 ZINC000921591374 1322360241 /nfs/dbraw/zinc/36/02/41/1322360241.db2.gz SXGDCSWJDHXFQR-UHFFFAOYSA-N 2 1 339.418 3.298 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3ccccc3o1)C2 ZINC000922388032 1322515889 /nfs/dbraw/zinc/51/58/89/1322515889.db2.gz NQFWOTWGGNBOJK-JYBIWHBTSA-N 2 1 328.456 3.002 20 0 EGADMP O[C@H](C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000923363799 1322740562 /nfs/dbraw/zinc/74/05/62/1322740562.db2.gz FVCNVHLGNSBIGW-OAUYIBNBSA-N 2 1 343.298 3.491 20 0 EGADMP O[C@H](C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000923363799 1322740578 /nfs/dbraw/zinc/74/05/78/1322740578.db2.gz FVCNVHLGNSBIGW-OAUYIBNBSA-N 2 1 343.298 3.491 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000923479702 1322759773 /nfs/dbraw/zinc/75/97/73/1322759773.db2.gz BKCKLEYCYZHTKS-CQSZACIVSA-N 2 1 330.863 3.276 20 0 EGADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000923489671 1322760404 /nfs/dbraw/zinc/76/04/04/1322760404.db2.gz GCBJGDBREJCXRC-INIZCTEOSA-N 2 1 339.439 3.088 20 0 EGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccc(OC)cc1 ZINC000924566726 1323056957 /nfs/dbraw/zinc/05/69/57/1323056957.db2.gz GSSWQKMWFVAKDJ-DLZDZTESSA-N 2 1 332.488 3.378 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024010162 1323078738 /nfs/dbraw/zinc/07/87/38/1323078738.db2.gz HPVKETFSYIABES-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024024071 1323081594 /nfs/dbraw/zinc/08/15/94/1323081594.db2.gz SLFGCQIYAMZZPH-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CC1(C)OC[C@@H](C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)O1 ZINC000851799110 1323089981 /nfs/dbraw/zinc/08/99/81/1323089981.db2.gz PHIZLZYQQLQMBG-CTNGQTDRSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@@H](C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)O1 ZINC000851799110 1323089988 /nfs/dbraw/zinc/08/99/88/1323089988.db2.gz PHIZLZYQQLQMBG-CTNGQTDRSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@@H](C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)O1 ZINC000851799110 1323089994 /nfs/dbraw/zinc/08/99/94/1323089994.db2.gz PHIZLZYQQLQMBG-CTNGQTDRSA-N 2 1 344.499 3.126 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2COC(C)(C)O2)CCN1Cc1ccccc1 ZINC000851803914 1323092924 /nfs/dbraw/zinc/09/29/24/1323092924.db2.gz WPNVXHMPNSQXDX-NEWSRXKRSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C[C@H]2COC(C)(C)O2)CC[N@@H+]1Cc1ccccc1 ZINC000851803914 1323092928 /nfs/dbraw/zinc/09/29/28/1323092928.db2.gz WPNVXHMPNSQXDX-NEWSRXKRSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C[C@H]2COC(C)(C)O2)CC[N@H+]1Cc1ccccc1 ZINC000851803914 1323092935 /nfs/dbraw/zinc/09/29/35/1323092935.db2.gz WPNVXHMPNSQXDX-NEWSRXKRSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2COC(C)(C)O2)CC[N@@H+]1Cc1ccccc1 ZINC000851803914 1323092942 /nfs/dbraw/zinc/09/29/42/1323092942.db2.gz WPNVXHMPNSQXDX-NEWSRXKRSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2COC(C)(C)O2)CC[N@H+]1Cc1ccccc1 ZINC000851803914 1323092949 /nfs/dbraw/zinc/09/29/49/1323092949.db2.gz WPNVXHMPNSQXDX-NEWSRXKRSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2COC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000851803914 1323092957 /nfs/dbraw/zinc/09/29/57/1323092957.db2.gz WPNVXHMPNSQXDX-NEWSRXKRSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2COC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000851803914 1323092962 /nfs/dbraw/zinc/09/29/62/1323092962.db2.gz WPNVXHMPNSQXDX-NEWSRXKRSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000924679574 1323109981 /nfs/dbraw/zinc/10/99/81/1323109981.db2.gz LDDIOLGRHLADKP-HLIPFELVSA-N 2 1 343.515 3.065 20 0 EGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc(Br)n1 ZINC000924713062 1323127660 /nfs/dbraw/zinc/12/76/60/1323127660.db2.gz CJIAVRKRBRGLRH-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000852114340 1323150629 /nfs/dbraw/zinc/15/06/29/1323150629.db2.gz RGOMKETVECKXAI-SFHVURJKSA-N 2 1 341.499 3.115 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000852114340 1323150637 /nfs/dbraw/zinc/15/06/37/1323150637.db2.gz RGOMKETVECKXAI-SFHVURJKSA-N 2 1 341.499 3.115 20 0 EGADMP CCC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ncccc1Cl ZINC000925023704 1323247881 /nfs/dbraw/zinc/24/78/81/1323247881.db2.gz PGLIVTRVLOYBQQ-NVXWUHKLSA-N 2 1 339.911 3.403 20 0 EGADMP COc1cc([C@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)on1 ZINC000925031027 1323250275 /nfs/dbraw/zinc/25/02/75/1323250275.db2.gz LWLCZXZRYHANGN-HNNXBMFYSA-N 2 1 345.443 3.009 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)c1OC ZINC000853092717 1323278127 /nfs/dbraw/zinc/27/81/27/1323278127.db2.gz JKPXPKWIGRKBNI-QGZVFWFLSA-N 2 1 332.488 3.224 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024437336 1323397640 /nfs/dbraw/zinc/39/76/40/1323397640.db2.gz QQTSXTWBQBENBM-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1=CCCCC1 ZINC001024437336 1323397648 /nfs/dbraw/zinc/39/76/48/1323397648.db2.gz QQTSXTWBQBENBM-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1=CCCCC1 ZINC001024437336 1323397655 /nfs/dbraw/zinc/39/76/55/1323397655.db2.gz QQTSXTWBQBENBM-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024467780 1323423598 /nfs/dbraw/zinc/42/35/98/1323423598.db2.gz HCFJENDUWLBYGG-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001024467780 1323423600 /nfs/dbraw/zinc/42/36/00/1323423600.db2.gz HCFJENDUWLBYGG-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC(C)(C)C ZINC001024467780 1323423601 /nfs/dbraw/zinc/42/36/01/1323423601.db2.gz HCFJENDUWLBYGG-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024469249 1323424805 /nfs/dbraw/zinc/42/48/05/1323424805.db2.gz QVIHLPFXJWOCJZ-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1=CCCCC1 ZINC001024469249 1323424810 /nfs/dbraw/zinc/42/48/10/1323424810.db2.gz QVIHLPFXJWOCJZ-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1=CCCCC1 ZINC001024469249 1323424816 /nfs/dbraw/zinc/42/48/16/1323424816.db2.gz QVIHLPFXJWOCJZ-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024749826 1323653807 /nfs/dbraw/zinc/65/38/07/1323653807.db2.gz HGRNNZZKHZLNRL-FXAWDEMLSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814892 1323717424 /nfs/dbraw/zinc/71/74/24/1323717424.db2.gz YACKTOZYDCTZOX-QZTJIDSGSA-N 2 1 349.494 3.081 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001025002868 1323821279 /nfs/dbraw/zinc/82/12/79/1323821279.db2.gz LDROPXSJCACHJY-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001025004753 1323823257 /nfs/dbraw/zinc/82/32/57/1323823257.db2.gz AZURWDOGSWCWJH-LJQANCHMSA-N 2 1 349.563 3.410 20 0 EGADMP COc1cccc(-c2nc(C[N@@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)cs2)c1 ZINC000931428957 1329115244 /nfs/dbraw/zinc/11/52/44/1329115244.db2.gz DOUMHBBEDCLKOE-JKSUJKDBSA-N 2 1 343.496 3.202 20 0 EGADMP COc1cccc(-c2nc(C[N@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)cs2)c1 ZINC000931428957 1329115245 /nfs/dbraw/zinc/11/52/45/1329115245.db2.gz DOUMHBBEDCLKOE-JKSUJKDBSA-N 2 1 343.496 3.202 20 0 EGADMP COc1cccc(-c2nc(C[NH+]3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)cs2)c1 ZINC000931428957 1329115249 /nfs/dbraw/zinc/11/52/49/1329115249.db2.gz DOUMHBBEDCLKOE-JKSUJKDBSA-N 2 1 343.496 3.202 20 0 EGADMP COc1cccc(-c2nc(C[NH+]3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)cs2)c1 ZINC000931428957 1329115253 /nfs/dbraw/zinc/11/52/53/1329115253.db2.gz DOUMHBBEDCLKOE-JKSUJKDBSA-N 2 1 343.496 3.202 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001025084571 1323886057 /nfs/dbraw/zinc/88/60/57/1323886057.db2.gz DJAMMRSQWWNUHY-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025247419 1324047470 /nfs/dbraw/zinc/04/74/70/1324047470.db2.gz KUMQADQOASHNEK-OALUTQOASA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025248097 1324048169 /nfs/dbraw/zinc/04/81/69/1324048169.db2.gz VJZMMESZEPDZPL-RBUKOAKNSA-N 2 1 347.547 3.260 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025266435 1324077944 /nfs/dbraw/zinc/07/79/44/1324077944.db2.gz JREHCXOLBZEGPA-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025266435 1324077945 /nfs/dbraw/zinc/07/79/45/1324077945.db2.gz JREHCXOLBZEGPA-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001025266435 1324077953 /nfs/dbraw/zinc/07/79/53/1324077953.db2.gz JREHCXOLBZEGPA-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001025525415 1324371477 /nfs/dbraw/zinc/37/14/77/1324371477.db2.gz NYJXYVKACLLQLC-FXAWDEMLSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025559957 1324408033 /nfs/dbraw/zinc/40/80/33/1324408033.db2.gz YGYIKSDPDIZRRW-PXNSSMCTSA-N 2 1 345.531 3.235 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025629066 1324480104 /nfs/dbraw/zinc/48/01/04/1324480104.db2.gz ZPSMSEBBOIMJBP-XLIONFOSSA-N 2 1 345.531 3.379 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025629065 1324480181 /nfs/dbraw/zinc/48/01/81/1324480181.db2.gz ZPSMSEBBOIMJBP-PXNSSMCTSA-N 2 1 345.531 3.379 20 0 EGADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CCc1nc(-c2cccc(Cl)c2)no1 ZINC000931727800 1329172575 /nfs/dbraw/zinc/17/25/75/1329172575.db2.gz YXGLMAYIBVWWPI-JKSUJKDBSA-N 2 1 346.862 3.101 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]CCC3CCCC3)CC2)CC[N@H+]1C ZINC001026496963 1324847308 /nfs/dbraw/zinc/84/73/08/1324847308.db2.gz DGMHXMYRRPMFEK-GHBBCFCZSA-N 2 1 349.563 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CCC([NH2+]CC3CCCC3)CC2)C1 ZINC001026547691 1324885686 /nfs/dbraw/zinc/88/56/86/1324885686.db2.gz WLARWOCJZZBWMC-HDYDNRTBSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001026561129 1324896223 /nfs/dbraw/zinc/89/62/23/1324896223.db2.gz PDYJOWIYNZPGFL-IVMQYODDSA-N 2 1 335.536 3.068 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001026606001 1324928057 /nfs/dbraw/zinc/92/80/57/1324928057.db2.gz MMPFCQCQYVUWRB-UHFFFAOYSA-N 2 1 344.503 3.099 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026874891 1325059315 /nfs/dbraw/zinc/05/93/15/1325059315.db2.gz BPWDIELRMPGWEG-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cnn1-c1ccc(F)cc1 ZINC000925510915 1325184216 /nfs/dbraw/zinc/18/42/16/1325184216.db2.gz BVGCTXYKFVVSCQ-UYHISHBKSA-N 2 1 328.435 3.240 20 0 EGADMP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925522883 1325189673 /nfs/dbraw/zinc/18/96/73/1325189673.db2.gz PBZHJOHBGXPZQC-QZTJIDSGSA-N 2 1 339.439 3.242 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000925542932 1325200153 /nfs/dbraw/zinc/20/01/53/1325200153.db2.gz RZIUPQBLFLMINX-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963418164 1325225615 /nfs/dbraw/zinc/22/56/15/1325225615.db2.gz RBSDEVXDKGTROY-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963418161 1325225995 /nfs/dbraw/zinc/22/59/95/1325225995.db2.gz RBSDEVXDKGTROY-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963426458 1325234180 /nfs/dbraw/zinc/23/41/80/1325234180.db2.gz AXDHYZPRSBZACP-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP OC[C@@H](CC1CC1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925624858 1325236514 /nfs/dbraw/zinc/23/65/14/1325236514.db2.gz DNECKHNXAACPDG-VKEMMKHGSA-N 2 1 328.500 3.323 20 0 EGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccnc(Oc3ccccc3F)c2)C12CCC2 ZINC000925658780 1325251239 /nfs/dbraw/zinc/25/12/39/1325251239.db2.gz UWIIFIBRZZDXTB-IRXDYDNUSA-N 2 1 327.403 3.373 20 0 EGADMP C[C@H](C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000854676196 1325292757 /nfs/dbraw/zinc/29/27/57/1325292757.db2.gz GDAVVIGPNOAAMO-FGTMMUONSA-N 2 1 349.563 3.361 20 0 EGADMP C[C@@H](C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000854676197 1325293023 /nfs/dbraw/zinc/29/30/23/1325293023.db2.gz GDAVVIGPNOAAMO-KSZLIROESA-N 2 1 349.563 3.361 20 0 EGADMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cnnn1-c1ccccc1 ZINC000926274249 1325499141 /nfs/dbraw/zinc/49/91/41/1325499141.db2.gz GKCZRMXJBHXSQZ-INIZCTEOSA-N 2 1 327.476 3.040 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2ccsc2)C1 ZINC001027432778 1327672612 /nfs/dbraw/zinc/67/26/12/1327672612.db2.gz KLCFFHRRJMPSPF-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccsc2)C1 ZINC001027432778 1327672618 /nfs/dbraw/zinc/67/26/18/1327672618.db2.gz KLCFFHRRJMPSPF-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccsc2)C1 ZINC001027432778 1327672627 /nfs/dbraw/zinc/67/26/27/1327672627.db2.gz KLCFFHRRJMPSPF-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000926708103 1327677034 /nfs/dbraw/zinc/67/70/34/1327677034.db2.gz ZRXHRLYPABUEJL-NSHGMRRFSA-N 2 1 330.520 3.128 20 0 EGADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)cn1 ZINC000926708103 1327677041 /nfs/dbraw/zinc/67/70/41/1327677041.db2.gz ZRXHRLYPABUEJL-NSHGMRRFSA-N 2 1 330.520 3.128 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC001027470256 1327724376 /nfs/dbraw/zinc/72/43/76/1327724376.db2.gz OGBNUYLBUPKOJI-IBGZPJMESA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](CCC1CC1)[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001027470256 1327724380 /nfs/dbraw/zinc/72/43/80/1327724380.db2.gz OGBNUYLBUPKOJI-IBGZPJMESA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](CCC1CC1)[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001027470256 1327724385 /nfs/dbraw/zinc/72/43/85/1327724385.db2.gz OGBNUYLBUPKOJI-IBGZPJMESA-N 2 1 349.563 3.362 20 0 EGADMP C[N@@H+](Cc1ccsc1)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027518988 1327790800 /nfs/dbraw/zinc/79/08/00/1327790800.db2.gz CJWLFBHORAOAFM-KRWDZBQOSA-N 2 1 349.544 3.045 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027519567 1327791471 /nfs/dbraw/zinc/79/14/71/1327791471.db2.gz QGIQNHHNZWVQJN-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542940 1327846766 /nfs/dbraw/zinc/84/67/66/1327846766.db2.gz VOXRKOSXCWALAU-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027542940 1327846772 /nfs/dbraw/zinc/84/67/72/1327846772.db2.gz VOXRKOSXCWALAU-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027542940 1327846776 /nfs/dbraw/zinc/84/67/76/1327846776.db2.gz VOXRKOSXCWALAU-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)c1 ZINC001027682559 1328080054 /nfs/dbraw/zinc/08/00/54/1328080054.db2.gz RDZGIAGVLQZMMQ-UYAOXDASSA-N 2 1 343.515 3.075 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001027879696 1328346207 /nfs/dbraw/zinc/34/62/07/1328346207.db2.gz WTKXPAFJXKPOJN-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001027879696 1328346212 /nfs/dbraw/zinc/34/62/12/1328346212.db2.gz WTKXPAFJXKPOJN-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC001027879696 1328346215 /nfs/dbraw/zinc/34/62/15/1328346215.db2.gz WTKXPAFJXKPOJN-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cs1 ZINC001027879486 1328346238 /nfs/dbraw/zinc/34/62/38/1328346238.db2.gz SVHPVWZGGMUMLX-MSOLQXFVSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCC[NH+]2C(C)C)cs1 ZINC001027879486 1328346246 /nfs/dbraw/zinc/34/62/46/1328346246.db2.gz SVHPVWZGGMUMLX-MSOLQXFVSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCC[NH+]2C(C)C)cs1 ZINC001027879486 1328346252 /nfs/dbraw/zinc/34/62/52/1328346252.db2.gz SVHPVWZGGMUMLX-MSOLQXFVSA-N 2 1 349.544 3.010 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001027919221 1328397032 /nfs/dbraw/zinc/39/70/32/1328397032.db2.gz UKMFKXYLYJXTQG-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC001027919221 1328397040 /nfs/dbraw/zinc/39/70/40/1328397040.db2.gz UKMFKXYLYJXTQG-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1=CCCCC1 ZINC001027919221 1328397047 /nfs/dbraw/zinc/39/70/47/1328397047.db2.gz UKMFKXYLYJXTQG-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001027918261 1328397662 /nfs/dbraw/zinc/39/76/62/1328397662.db2.gz LNNYTUDOQVPVSU-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001027918261 1328397670 /nfs/dbraw/zinc/39/76/70/1328397670.db2.gz LNNYTUDOQVPVSU-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001027918261 1328397679 /nfs/dbraw/zinc/39/76/79/1328397679.db2.gz LNNYTUDOQVPVSU-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1c(C(=O)NC[C@@H]2CCC[N@H+]2CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001027982534 1328456120 /nfs/dbraw/zinc/45/61/20/1328456120.db2.gz SNWPRGYUDMCNCH-INIZCTEOSA-N 2 1 342.487 3.273 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CCCC1CCC1)c1ccc2c[nH+]cn2c1 ZINC001028028656 1328490594 /nfs/dbraw/zinc/49/05/94/1328490594.db2.gz CWBFHZMESIQPDV-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000865448565 1329698810 /nfs/dbraw/zinc/69/88/10/1329698810.db2.gz IZQRPAFHAJDIEK-NSHDSACASA-N 2 1 327.350 3.358 20 0 EGADMP Cc1nc([C@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)no1 ZINC000931936318 1329772914 /nfs/dbraw/zinc/77/29/14/1329772914.db2.gz XMTRODPYCODIFY-IBGZPJMESA-N 2 1 340.471 3.353 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932043721 1329781820 /nfs/dbraw/zinc/78/18/20/1329781820.db2.gz QZXDJTMFAVOXLH-IBGZPJMESA-N 2 1 344.499 3.305 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932043721 1329781822 /nfs/dbraw/zinc/78/18/22/1329781822.db2.gz QZXDJTMFAVOXLH-IBGZPJMESA-N 2 1 344.499 3.305 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932043721 1329781824 /nfs/dbraw/zinc/78/18/24/1329781824.db2.gz QZXDJTMFAVOXLH-IBGZPJMESA-N 2 1 344.499 3.305 20 0 EGADMP CCC[N@@H+](CCC1OCCO1)C1CCN(Cc2ccccc2)CC1 ZINC000934188903 1329953518 /nfs/dbraw/zinc/95/35/18/1329953518.db2.gz POIZPFWTNLDPPI-UHFFFAOYSA-N 2 1 332.488 3.126 20 0 EGADMP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2(C)C)n1 ZINC000866702626 1330142398 /nfs/dbraw/zinc/14/23/98/1330142398.db2.gz DELMCNWITBFMAY-ZDUSSCGKSA-N 2 1 332.423 3.171 20 0 EGADMP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@@H](c3ccccc3F)C2(C)C)n1 ZINC000866702626 1330142400 /nfs/dbraw/zinc/14/24/00/1330142400.db2.gz DELMCNWITBFMAY-ZDUSSCGKSA-N 2 1 332.423 3.171 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940864366 1331226183 /nfs/dbraw/zinc/22/61/83/1331226183.db2.gz KZRNQLPTGJFDRA-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941064197 1331315996 /nfs/dbraw/zinc/31/59/96/1331315996.db2.gz LOHUIOXBXFIBFA-IAGOWNOFSA-N 2 1 348.535 3.269 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941064197 1331316000 /nfs/dbraw/zinc/31/60/00/1331316000.db2.gz LOHUIOXBXFIBFA-IAGOWNOFSA-N 2 1 348.535 3.269 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942102346 1331831292 /nfs/dbraw/zinc/83/12/92/1331831292.db2.gz XQJMYHOYLHFTGQ-GOEBONIOSA-N 2 1 337.533 3.050 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942206318 1331879037 /nfs/dbraw/zinc/87/90/37/1331879037.db2.gz XVAQKDLVRAHBOT-BEFAXECRSA-N 2 1 340.471 3.049 20 0 EGADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556168 1331971435 /nfs/dbraw/zinc/97/14/35/1331971435.db2.gz WKDZFOBQSPDVIH-IEBWSBKVSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945028266 1332480786 /nfs/dbraw/zinc/48/07/86/1332480786.db2.gz GVWRDZNQIBRZMO-FXAWDEMLSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946808693 1332905626 /nfs/dbraw/zinc/90/56/26/1332905626.db2.gz RLRZMJYPWXXSSY-ZCNNSNEGSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946808693 1332905629 /nfs/dbraw/zinc/90/56/29/1332905629.db2.gz RLRZMJYPWXXSSY-ZCNNSNEGSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946808693 1332905632 /nfs/dbraw/zinc/90/56/32/1332905632.db2.gz RLRZMJYPWXXSSY-ZCNNSNEGSA-N 2 1 349.563 3.076 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947473609 1333142509 /nfs/dbraw/zinc/14/25/09/1333142509.db2.gz NWIBKZXTAKEVFV-GDBMZVCRSA-N 2 1 328.460 3.026 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1CC1CCCC1 ZINC000947506045 1333149594 /nfs/dbraw/zinc/14/95/94/1333149594.db2.gz JEMCWYLQCXCCFQ-QAPCUYQASA-N 2 1 340.471 3.107 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CCC(C)(C)C ZINC000947615726 1333194305 /nfs/dbraw/zinc/19/43/05/1333194305.db2.gz KPBSAJOVWJULNH-IRXDYDNUSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)[C@H](C)C1 ZINC000947771506 1333256462 /nfs/dbraw/zinc/25/64/62/1333256462.db2.gz MOVMBMQBVJLOMJ-SJLPKXTDSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)[C@H](C)C1 ZINC000947771506 1333256465 /nfs/dbraw/zinc/25/64/65/1333256465.db2.gz MOVMBMQBVJLOMJ-SJLPKXTDSA-N 2 1 346.519 3.166 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC1CCCCC1 ZINC000947775674 1333257779 /nfs/dbraw/zinc/25/77/79/1333257779.db2.gz PFJGMIUGZBCYRT-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1C/C=C/Cl ZINC000948055432 1333357305 /nfs/dbraw/zinc/35/73/05/1333357305.db2.gz BXJPLWVREQONQB-QYNAMDDNSA-N 2 1 349.906 3.083 20 0 EGADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC000948243661 1333438996 /nfs/dbraw/zinc/43/89/96/1333438996.db2.gz BSLGBTZJWAWNKD-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC000948243661 1333438999 /nfs/dbraw/zinc/43/89/99/1333438999.db2.gz BSLGBTZJWAWNKD-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC000948243661 1333439001 /nfs/dbraw/zinc/43/90/01/1333439001.db2.gz BSLGBTZJWAWNKD-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[NH+](CC=C(C)C)CC1 ZINC000948416672 1333516563 /nfs/dbraw/zinc/51/65/63/1333516563.db2.gz MALDUUGQYWSZKQ-RBUKOAKNSA-N 2 1 335.536 3.140 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC=C(C)C)CC1 ZINC000948416672 1333516565 /nfs/dbraw/zinc/51/65/65/1333516565.db2.gz MALDUUGQYWSZKQ-RBUKOAKNSA-N 2 1 335.536 3.140 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC=C(C)C)CC1 ZINC000948416672 1333516567 /nfs/dbraw/zinc/51/65/67/1333516567.db2.gz MALDUUGQYWSZKQ-RBUKOAKNSA-N 2 1 335.536 3.140 20 0 EGADMP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000948589390 1333587043 /nfs/dbraw/zinc/58/70/43/1333587043.db2.gz APRRTWBDCQEWAN-SEJWUHKESA-N 2 1 346.862 3.013 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948673645 1333623278 /nfs/dbraw/zinc/62/32/78/1333623278.db2.gz FFKNZSXUJKQFKQ-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000948743564 1333655533 /nfs/dbraw/zinc/65/55/33/1333655533.db2.gz XVWKYHIOGRFYGK-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000948828963 1333701354 /nfs/dbraw/zinc/70/13/54/1333701354.db2.gz ALDWKLAYLRZKIS-MOPGFXCFSA-N 2 1 337.552 3.364 20 0 EGADMP CC(C)[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000948936524 1333740339 /nfs/dbraw/zinc/74/03/39/1333740339.db2.gz SKXSPEGMPQSGNE-FQEVSTJZSA-N 2 1 348.450 3.072 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2CCC(C)CC2)CC1 ZINC000949042944 1333769824 /nfs/dbraw/zinc/76/98/24/1333769824.db2.gz PYDSCDJDUGOMBI-SOAGJPPSSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000950628150 1334098731 /nfs/dbraw/zinc/09/87/31/1334098731.db2.gz SLRDIEXUBZIZBM-WOJBJXKFSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000950628150 1334098734 /nfs/dbraw/zinc/09/87/34/1334098734.db2.gz SLRDIEXUBZIZBM-WOJBJXKFSA-N 2 1 343.515 3.155 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000950708055 1334119668 /nfs/dbraw/zinc/11/96/68/1334119668.db2.gz JWEMIZQSQKUJTQ-IBGZPJMESA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H](C(=O)N1CC[NH+](CCCC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000951192581 1334203137 /nfs/dbraw/zinc/20/31/37/1334203137.db2.gz PPLZHHOIWNDTSF-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP C[C@H]1CC[N@@H+](CCCC2CCC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000967206254 1335676962 /nfs/dbraw/zinc/67/69/62/1335676962.db2.gz NGVXQFHZXJDZSV-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968053379 1335848994 /nfs/dbraw/zinc/84/89/94/1335848994.db2.gz DCQPQRXGOJCTPS-YJBOKZPZSA-N 2 1 349.519 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968053379 1335848996 /nfs/dbraw/zinc/84/89/96/1335848996.db2.gz DCQPQRXGOJCTPS-YJBOKZPZSA-N 2 1 349.519 3.218 20 0 EGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3cc(Br)ccc3n2)CC1 ZINC001205117858 1370655753 /nfs/dbraw/zinc/65/57/53/1370655753.db2.gz XCBCDOXTVPTBQK-CQSZACIVSA-N 2 1 334.261 3.311 20 0 EGADMP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000968858928 1336070802 /nfs/dbraw/zinc/07/08/02/1336070802.db2.gz JZWOTPGHEJAQNG-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000968858928 1336070804 /nfs/dbraw/zinc/07/08/04/1336070804.db2.gz JZWOTPGHEJAQNG-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000968858928 1336070805 /nfs/dbraw/zinc/07/08/05/1336070805.db2.gz JZWOTPGHEJAQNG-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1 ZINC000968882853 1336079230 /nfs/dbraw/zinc/07/92/30/1336079230.db2.gz VQMLTOIWWVTAQN-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CC1 ZINC000968882853 1336079234 /nfs/dbraw/zinc/07/92/34/1336079234.db2.gz VQMLTOIWWVTAQN-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCC1CC1 ZINC000968882853 1336079235 /nfs/dbraw/zinc/07/92/35/1336079235.db2.gz VQMLTOIWWVTAQN-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1 ZINC000969059673 1336132746 /nfs/dbraw/zinc/13/27/46/1336132746.db2.gz QJQIGOPJWPKOIH-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CC1 ZINC000969059673 1336132750 /nfs/dbraw/zinc/13/27/50/1336132750.db2.gz QJQIGOPJWPKOIH-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCC1CC1 ZINC000969059673 1336132751 /nfs/dbraw/zinc/13/27/51/1336132751.db2.gz QJQIGOPJWPKOIH-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCC1 ZINC000969156140 1336165302 /nfs/dbraw/zinc/16/53/02/1336165302.db2.gz KTNFNTFQOMIELW-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC000969674371 1336236004 /nfs/dbraw/zinc/23/60/04/1336236004.db2.gz JRIGSECWZHVAKF-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000969969664 1336267920 /nfs/dbraw/zinc/26/79/20/1336267920.db2.gz PDQLICWRNLDSET-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970325842 1336294533 /nfs/dbraw/zinc/29/45/33/1336294533.db2.gz KHLQKOHPWMPEPM-VQIMIIECSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1C[NH+](CCCC2CCCC2)C1 ZINC000970325456 1336294805 /nfs/dbraw/zinc/29/48/05/1336294805.db2.gz GBWLDHRALCJAEG-SCTDSRPQSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001005580490 1336375138 /nfs/dbraw/zinc/37/51/38/1336375138.db2.gz HCGOZTFJQRRFON-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001005999674 1336436098 /nfs/dbraw/zinc/43/60/98/1336436098.db2.gz DBEULEDGOHIVOP-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001006276281 1336480376 /nfs/dbraw/zinc/48/03/76/1336480376.db2.gz BOCCATNAHGKABP-IBGZPJMESA-N 2 1 337.552 3.364 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008053490 1336759662 /nfs/dbraw/zinc/75/96/62/1336759662.db2.gz USQFUVSVGZJFGC-MJGOQNOKSA-N 2 1 345.531 3.031 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCC2CC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001008277659 1336812453 /nfs/dbraw/zinc/81/24/53/1336812453.db2.gz UMCXPIQZUYKUDL-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CCC2CC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001008277659 1336812457 /nfs/dbraw/zinc/81/24/57/1336812457.db2.gz UMCXPIQZUYKUDL-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CCC2CC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001008277659 1336812460 /nfs/dbraw/zinc/81/24/60/1336812460.db2.gz UMCXPIQZUYKUDL-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCC2CC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001008277663 1336812862 /nfs/dbraw/zinc/81/28/62/1336812862.db2.gz UMCXPIQZUYKUDL-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CCC2CC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001008277663 1336812864 /nfs/dbraw/zinc/81/28/64/1336812864.db2.gz UMCXPIQZUYKUDL-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CCC2CC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001008277663 1336812867 /nfs/dbraw/zinc/81/28/67/1336812867.db2.gz UMCXPIQZUYKUDL-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CCC3CCCCC3)C2)CC[N@H+]1C ZINC001008298535 1336818047 /nfs/dbraw/zinc/81/80/47/1336818047.db2.gz ITPRJBULZKAWRJ-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001008298535 1336818049 /nfs/dbraw/zinc/81/80/49/1336818049.db2.gz ITPRJBULZKAWRJ-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001008298535 1336818051 /nfs/dbraw/zinc/81/80/51/1336818051.db2.gz ITPRJBULZKAWRJ-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001008763211 1336922456 /nfs/dbraw/zinc/92/24/56/1336922456.db2.gz XWVPCJSSZARWIJ-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC=C(C)C)C1 ZINC001009171675 1336981257 /nfs/dbraw/zinc/98/12/57/1336981257.db2.gz WXMAFAHQRRMJMF-RBUKOAKNSA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC=C(C)C)C1 ZINC001009171675 1336981259 /nfs/dbraw/zinc/98/12/59/1336981259.db2.gz WXMAFAHQRRMJMF-RBUKOAKNSA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001009171675 1336981263 /nfs/dbraw/zinc/98/12/63/1336981263.db2.gz WXMAFAHQRRMJMF-RBUKOAKNSA-N 2 1 335.536 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)CC[N@H+]1C ZINC001014505185 1337801314 /nfs/dbraw/zinc/80/13/14/1337801314.db2.gz AFUSXKMHGTXEKJ-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CCC(C)(C)CC3)C2)CC[NH+]1C ZINC001014505185 1337801320 /nfs/dbraw/zinc/80/13/20/1337801320.db2.gz AFUSXKMHGTXEKJ-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)CC[NH+]1C ZINC001014505185 1337801323 /nfs/dbraw/zinc/80/13/23/1337801323.db2.gz AFUSXKMHGTXEKJ-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014724632 1337885527 /nfs/dbraw/zinc/88/55/27/1337885527.db2.gz WDBOXNRBUCMUAN-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014724632 1337885531 /nfs/dbraw/zinc/88/55/31/1337885531.db2.gz WDBOXNRBUCMUAN-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014724632 1337885534 /nfs/dbraw/zinc/88/55/34/1337885534.db2.gz WDBOXNRBUCMUAN-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@H](NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)cs1 ZINC001014724862 1337885611 /nfs/dbraw/zinc/88/56/11/1337885611.db2.gz XRFQRZULCHWNBL-QZTJIDSGSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C[C@H]3CCC[NH+]3C(C)C)C2)cs1 ZINC001014724862 1337885614 /nfs/dbraw/zinc/88/56/14/1337885614.db2.gz XRFQRZULCHWNBL-QZTJIDSGSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3CCC[NH+]3C(C)C)C2)cs1 ZINC001014724862 1337885615 /nfs/dbraw/zinc/88/56/15/1337885615.db2.gz XRFQRZULCHWNBL-QZTJIDSGSA-N 2 1 349.544 3.010 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015501532 1338160598 /nfs/dbraw/zinc/16/05/98/1338160598.db2.gz BFELZAGTWKGCCM-OALUTQOASA-N 2 1 343.515 3.203 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001015704568 1338270049 /nfs/dbraw/zinc/27/00/49/1338270049.db2.gz CZBXFBZGZBUYGC-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001015704568 1338270051 /nfs/dbraw/zinc/27/00/51/1338270051.db2.gz CZBXFBZGZBUYGC-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001015704568 1338270053 /nfs/dbraw/zinc/27/00/53/1338270053.db2.gz CZBXFBZGZBUYGC-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001015976387 1338388445 /nfs/dbraw/zinc/38/84/45/1338388445.db2.gz MLTATMCHKIHIGJ-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001015976387 1338388447 /nfs/dbraw/zinc/38/84/47/1338388447.db2.gz MLTATMCHKIHIGJ-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001015976387 1338388448 /nfs/dbraw/zinc/38/84/48/1338388448.db2.gz MLTATMCHKIHIGJ-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251390 1338524638 /nfs/dbraw/zinc/52/46/38/1338524638.db2.gz LJUULKVKBFFTQB-QZTJIDSGSA-N 2 1 349.906 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001016339378 1338556077 /nfs/dbraw/zinc/55/60/77/1338556077.db2.gz PTIBSEOHJJPXAL-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001016339378 1338556080 /nfs/dbraw/zinc/55/60/80/1338556080.db2.gz PTIBSEOHJJPXAL-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001016339378 1338556083 /nfs/dbraw/zinc/55/60/83/1338556083.db2.gz PTIBSEOHJJPXAL-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001016623566 1338667760 /nfs/dbraw/zinc/66/77/60/1338667760.db2.gz FAFWDKZDBCVSID-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCC1CCC1)CC2 ZINC001016686908 1338689937 /nfs/dbraw/zinc/68/99/37/1338689937.db2.gz DQXUPGQDYDFRIL-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016703341 1338696412 /nfs/dbraw/zinc/69/64/12/1338696412.db2.gz XFAYMUXFFIPWIO-OALUTQOASA-N 2 1 347.547 3.044 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001016830410 1338740047 /nfs/dbraw/zinc/74/00/47/1338740047.db2.gz SAIACOIHMFAAFF-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016860991 1338750619 /nfs/dbraw/zinc/75/06/19/1338750619.db2.gz MDYKFMDAURLPCW-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCC)CC2 ZINC001016924417 1338771917 /nfs/dbraw/zinc/77/19/17/1338771917.db2.gz WVQFBEUWEZIZSD-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1)[NH+](C)C ZINC001017147472 1338896887 /nfs/dbraw/zinc/89/68/87/1338896887.db2.gz XTCHGMUALLQFNI-PMACEKPBSA-N 2 1 349.563 3.243 20 0 EGADMP C[N@@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)CCn2ccnc2)C1 ZINC001017172259 1338917569 /nfs/dbraw/zinc/91/75/69/1338917569.db2.gz KMDCQRQEKZQWOC-IBGZPJMESA-N 2 1 346.519 3.024 20 0 EGADMP C[N@@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001017249281 1338979583 /nfs/dbraw/zinc/97/95/83/1338979583.db2.gz AJWYEDSMWIIIHL-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001017249281 1338979586 /nfs/dbraw/zinc/97/95/86/1338979586.db2.gz AJWYEDSMWIIIHL-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001017249281 1338979590 /nfs/dbraw/zinc/97/95/90/1338979590.db2.gz AJWYEDSMWIIIHL-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001017267546 1338993793 /nfs/dbraw/zinc/99/37/93/1338993793.db2.gz QJHHMTJWYZAOID-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001017267546 1338993794 /nfs/dbraw/zinc/99/37/94/1338993794.db2.gz QJHHMTJWYZAOID-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001017267546 1338993795 /nfs/dbraw/zinc/99/37/95/1338993795.db2.gz QJHHMTJWYZAOID-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@H]([NH2+]CC2CCCC2)C1 ZINC001018851170 1339738689 /nfs/dbraw/zinc/73/86/89/1339738689.db2.gz NKMRSOOSRCIVGP-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCC2=CCCCC2)CC[N@H+]1C ZINC001028098843 1340425241 /nfs/dbraw/zinc/42/52/41/1340425241.db2.gz WGAVTNDZUUBFFC-YSIASYRMSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCC2=CCCCC2)CC[NH+]1C ZINC001028098843 1340425243 /nfs/dbraw/zinc/42/52/43/1340425243.db2.gz WGAVTNDZUUBFFC-YSIASYRMSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCC2=CCCCC2)CC[NH+]1C ZINC001028098843 1340425245 /nfs/dbraw/zinc/42/52/45/1340425245.db2.gz WGAVTNDZUUBFFC-YSIASYRMSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+](CCCC3CCCC3)C2)CC[N@H+]1C ZINC001028762278 1340797178 /nfs/dbraw/zinc/79/71/78/1340797178.db2.gz IRTLYCUAGSOYGD-IHPCNDPISA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001028762278 1340797187 /nfs/dbraw/zinc/79/71/87/1340797187.db2.gz IRTLYCUAGSOYGD-IHPCNDPISA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001028762278 1340797189 /nfs/dbraw/zinc/79/71/89/1340797189.db2.gz IRTLYCUAGSOYGD-IHPCNDPISA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001028902474 1340879503 /nfs/dbraw/zinc/87/95/03/1340879503.db2.gz WQPQLVUNAJLZNG-IBGZPJMESA-N 2 1 347.547 3.045 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC(C)C)C1 ZINC001028918440 1340884173 /nfs/dbraw/zinc/88/41/73/1340884173.db2.gz IATOUBSCXJJJCL-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001028918440 1340884174 /nfs/dbraw/zinc/88/41/74/1340884174.db2.gz IATOUBSCXJJJCL-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001028918440 1340884175 /nfs/dbraw/zinc/88/41/75/1340884175.db2.gz IATOUBSCXJJJCL-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001029100617 1340930039 /nfs/dbraw/zinc/93/00/39/1340930039.db2.gz KPQWLAWLBZIVMM-PKOBYXMFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029099890 1340930053 /nfs/dbraw/zinc/93/00/53/1340930053.db2.gz XWXJVXWJVNWLBH-PXNSSMCTSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]([NH2+]CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001029108302 1340931665 /nfs/dbraw/zinc/93/16/65/1340931665.db2.gz ZCBJUBMCTLXUOX-UZLBHIALSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001029147088 1340942624 /nfs/dbraw/zinc/94/26/24/1340942624.db2.gz NHHNLGZKRLWBJI-DLBZAZTESA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001029503023 1341002442 /nfs/dbraw/zinc/00/24/42/1341002442.db2.gz HAKHJVGHTZEVHJ-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001029596112 1341018615 /nfs/dbraw/zinc/01/86/15/1341018615.db2.gz ZTQJEBVKIFLSTD-QGZVKYPTSA-N 2 1 345.531 3.035 20 0 EGADMP C[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001029858378 1341098019 /nfs/dbraw/zinc/09/80/19/1341098019.db2.gz BOXQMIFPZXRBKS-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CC1CC(C[N@@H+](C)CC2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001029970774 1341138808 /nfs/dbraw/zinc/13/88/08/1341138808.db2.gz PEWMZKBBRMETSM-LYBXBRPPSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[NH+](C)CC2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001029970774 1341138810 /nfs/dbraw/zinc/13/88/10/1341138810.db2.gz PEWMZKBBRMETSM-LYBXBRPPSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[NH+](C)CC2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001029970774 1341138812 /nfs/dbraw/zinc/13/88/12/1341138812.db2.gz PEWMZKBBRMETSM-LYBXBRPPSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CC1CCCCC1)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001030010350 1341156978 /nfs/dbraw/zinc/15/69/78/1341156978.db2.gz MMQLLWLFZKRLDL-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC1CCCCC1)CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001030010350 1341156979 /nfs/dbraw/zinc/15/69/79/1341156979.db2.gz MMQLLWLFZKRLDL-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC1CCCCC1)CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001030010350 1341156980 /nfs/dbraw/zinc/15/69/80/1341156980.db2.gz MMQLLWLFZKRLDL-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH+](C)CC2CCCC2)CC1 ZINC001030014619 1341158551 /nfs/dbraw/zinc/15/85/51/1341158551.db2.gz DVJGDLXTLRVZFO-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC2CCCC2)CC1 ZINC001030014619 1341158553 /nfs/dbraw/zinc/15/85/53/1341158553.db2.gz DVJGDLXTLRVZFO-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC2CCCC2)CC1 ZINC001030014619 1341158555 /nfs/dbraw/zinc/15/85/55/1341158555.db2.gz DVJGDLXTLRVZFO-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP O=C(NC1C[NH+](CC2CCCCC2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001030314366 1341178263 /nfs/dbraw/zinc/17/82/63/1341178263.db2.gz CAAPJKLOOVSNNW-GOSISDBHSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC1C[NH+](CCCC2CCC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001030831514 1341231959 /nfs/dbraw/zinc/23/19/59/1341231959.db2.gz JUCFPVPLVYLIBC-FQEVSTJZSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC1C[NH+](CCCC2CCC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001030831514 1341231960 /nfs/dbraw/zinc/23/19/60/1341231960.db2.gz JUCFPVPLVYLIBC-FQEVSTJZSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCC2CCCCC2)C1 ZINC001031050196 1341269962 /nfs/dbraw/zinc/26/99/62/1341269962.db2.gz DSZBAKRBYADXCV-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCC2CCCCC2)C1 ZINC001031050196 1341269963 /nfs/dbraw/zinc/26/99/63/1341269963.db2.gz DSZBAKRBYADXCV-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001031188280 1341292393 /nfs/dbraw/zinc/29/23/93/1341292393.db2.gz GCRDXKLPHKFNBW-FQEVSTJZSA-N 2 1 343.515 3.059 20 0 EGADMP O=C(NCC1C[NH+](CCC2CCCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001031766343 1341398597 /nfs/dbraw/zinc/39/85/97/1341398597.db2.gz GHWGIOXXFTXDPQ-PMACEKPBSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC2=CCCCC2)C1 ZINC001032117320 1341457834 /nfs/dbraw/zinc/45/78/34/1341457834.db2.gz ATYAQZRUHMVKLP-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCC1 ZINC001032433189 1341511510 /nfs/dbraw/zinc/51/15/10/1341511510.db2.gz LHXNSMTZCQWMHC-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCC1 ZINC001032433189 1341511512 /nfs/dbraw/zinc/51/15/12/1341511512.db2.gz LHXNSMTZCQWMHC-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCCC1 ZINC001032433189 1341511514 /nfs/dbraw/zinc/51/15/14/1341511514.db2.gz LHXNSMTZCQWMHC-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC(C)(C)C)c1 ZINC001032799794 1341618363 /nfs/dbraw/zinc/61/83/63/1341618363.db2.gz MQXAVHWHAWUWDB-OALUTQOASA-N 2 1 343.515 3.083 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCCCC1 ZINC001032803108 1341618983 /nfs/dbraw/zinc/61/89/83/1341618983.db2.gz WHPQIROQQWVXLB-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCCC1 ZINC001032803108 1341618984 /nfs/dbraw/zinc/61/89/84/1341618984.db2.gz WHPQIROQQWVXLB-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCCC1 ZINC001032803108 1341618985 /nfs/dbraw/zinc/61/89/85/1341618985.db2.gz WHPQIROQQWVXLB-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCC(C(C)(C)C)CC2)C1 ZINC001032828357 1341628812 /nfs/dbraw/zinc/62/88/12/1341628812.db2.gz MISAPURZOQORNS-WZOJCFFYSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC001032828357 1341628813 /nfs/dbraw/zinc/62/88/13/1341628813.db2.gz MISAPURZOQORNS-WZOJCFFYSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC001032828357 1341628815 /nfs/dbraw/zinc/62/88/15/1341628815.db2.gz MISAPURZOQORNS-WZOJCFFYSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033144772 1341738690 /nfs/dbraw/zinc/73/86/90/1341738690.db2.gz BQHRXBYOJVQLGX-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033144772 1341738691 /nfs/dbraw/zinc/73/86/91/1341738691.db2.gz BQHRXBYOJVQLGX-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033144772 1341738692 /nfs/dbraw/zinc/73/86/92/1341738692.db2.gz BQHRXBYOJVQLGX-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001033353311 1341793430 /nfs/dbraw/zinc/79/34/30/1341793430.db2.gz GHAOIMLHZRBKEJ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCCC3CCC3)C2)C1 ZINC001033353311 1341793431 /nfs/dbraw/zinc/79/34/31/1341793431.db2.gz GHAOIMLHZRBKEJ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001033353311 1341793432 /nfs/dbraw/zinc/79/34/32/1341793432.db2.gz GHAOIMLHZRBKEJ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCCC3CCCC3)C2)CC[N@H+]1C ZINC001033357748 1341795778 /nfs/dbraw/zinc/79/57/78/1341795778.db2.gz BUGHGMQYZJZUTA-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001033357748 1341795780 /nfs/dbraw/zinc/79/57/80/1341795780.db2.gz BUGHGMQYZJZUTA-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001033357748 1341795782 /nfs/dbraw/zinc/79/57/82/1341795782.db2.gz BUGHGMQYZJZUTA-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001033467725 1341837746 /nfs/dbraw/zinc/83/77/46/1341837746.db2.gz RBXJILBLWOOSIL-QUCCMNQESA-N 2 1 347.547 3.284 20 0 EGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033833532 1342034074 /nfs/dbraw/zinc/03/40/74/1342034074.db2.gz IOLPTHAZMUWMDL-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033833532 1342034075 /nfs/dbraw/zinc/03/40/75/1342034075.db2.gz IOLPTHAZMUWMDL-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033833532 1342034077 /nfs/dbraw/zinc/03/40/77/1342034077.db2.gz IOLPTHAZMUWMDL-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CC3CCCCC3)C2)CC[N@H+]1C ZINC001033833791 1342034103 /nfs/dbraw/zinc/03/41/03/1342034103.db2.gz AEEGRWFTNOBKQI-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@H+](CC3CCCCC3)C2)CC[NH+]1C ZINC001033833791 1342034105 /nfs/dbraw/zinc/03/41/05/1342034105.db2.gz AEEGRWFTNOBKQI-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@@H+](CC3CCCCC3)C2)CC[NH+]1C ZINC001033833791 1342034107 /nfs/dbraw/zinc/03/41/07/1342034107.db2.gz AEEGRWFTNOBKQI-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033883554 1342057796 /nfs/dbraw/zinc/05/77/96/1342057796.db2.gz PYVBCFFGBYVKDI-SFHVURJKSA-N 2 1 340.471 3.061 20 0 EGADMP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033888745 1342061645 /nfs/dbraw/zinc/06/16/45/1342061645.db2.gz SYPOOSPSUJSLHO-QGZVFWFLSA-N 2 1 342.487 3.307 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033937501 1342099864 /nfs/dbraw/zinc/09/98/64/1342099864.db2.gz MLWCHAZYRVLBDQ-YTQUADARSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033937501 1342099870 /nfs/dbraw/zinc/09/98/70/1342099870.db2.gz MLWCHAZYRVLBDQ-YTQUADARSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033937501 1342099878 /nfs/dbraw/zinc/09/98/78/1342099878.db2.gz MLWCHAZYRVLBDQ-YTQUADARSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC001033939625 1342102135 /nfs/dbraw/zinc/10/21/35/1342102135.db2.gz CDVMAHIMPYGLHU-AFMYVXGZSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034003949 1342141889 /nfs/dbraw/zinc/14/18/89/1342141889.db2.gz JKRXILFYIKYBSG-PKOBYXMFSA-N 2 1 337.552 3.076 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034136930 1342263863 /nfs/dbraw/zinc/26/38/63/1342263863.db2.gz MJIZREWWNZOJSP-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCC2CCCC2)C1 ZINC001034136930 1342263867 /nfs/dbraw/zinc/26/38/67/1342263867.db2.gz MJIZREWWNZOJSP-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCC2CCCC2)C1 ZINC001034136930 1342263872 /nfs/dbraw/zinc/26/38/72/1342263872.db2.gz MJIZREWWNZOJSP-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034211513 1342320937 /nfs/dbraw/zinc/32/09/37/1342320937.db2.gz NLPOCUIIJDWHKO-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034250513 1342348058 /nfs/dbraw/zinc/34/80/58/1342348058.db2.gz RGNNYAQYGHLGMC-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034250513 1342348060 /nfs/dbraw/zinc/34/80/60/1342348060.db2.gz RGNNYAQYGHLGMC-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034250513 1342348065 /nfs/dbraw/zinc/34/80/65/1342348065.db2.gz RGNNYAQYGHLGMC-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CC1(C)CC(C[N@H+]2CCCC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001034289663 1342376255 /nfs/dbraw/zinc/37/62/55/1342376255.db2.gz AMOADKSSHSCMBF-GOSISDBHSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034289485 1342376495 /nfs/dbraw/zinc/37/64/95/1342376495.db2.gz UNVJWRYZPLGUNI-OALUTQOASA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289485 1342376499 /nfs/dbraw/zinc/37/64/99/1342376499.db2.gz UNVJWRYZPLGUNI-OALUTQOASA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289485 1342376504 /nfs/dbraw/zinc/37/65/04/1342376504.db2.gz UNVJWRYZPLGUNI-OALUTQOASA-N 2 1 335.536 3.044 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](CCCC3CCC3)C2)CC[N@H+]1C ZINC001034362944 1342434466 /nfs/dbraw/zinc/43/44/66/1342434466.db2.gz KCXAHCWCHZENCP-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCCC3CCC3)C2)CC[NH+]1C ZINC001034362944 1342434467 /nfs/dbraw/zinc/43/44/67/1342434467.db2.gz KCXAHCWCHZENCP-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCCC3CCC3)C2)CC[NH+]1C ZINC001034362944 1342434469 /nfs/dbraw/zinc/43/44/69/1342434469.db2.gz KCXAHCWCHZENCP-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](CCC3CCCCC3)C2)C1 ZINC001034394293 1342462594 /nfs/dbraw/zinc/46/25/94/1342462594.db2.gz KVXRQTUIVWLHTL-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CCC3CCCCC3)C2)C1 ZINC001034394293 1342462600 /nfs/dbraw/zinc/46/26/00/1342462600.db2.gz KVXRQTUIVWLHTL-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001034394293 1342462603 /nfs/dbraw/zinc/46/26/03/1342462603.db2.gz KVXRQTUIVWLHTL-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](CCC2=CCCCC2)C1 ZINC001034397200 1342464669 /nfs/dbraw/zinc/46/46/69/1342464669.db2.gz JIQLAHFIHNXRHN-QUCCMNQESA-N 2 1 347.547 3.332 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](CCC2=CCCCC2)C1 ZINC001034397200 1342464674 /nfs/dbraw/zinc/46/46/74/1342464674.db2.gz JIQLAHFIHNXRHN-QUCCMNQESA-N 2 1 347.547 3.332 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](CCC2=CCCCC2)C1 ZINC001034397200 1342464677 /nfs/dbraw/zinc/46/46/77/1342464677.db2.gz JIQLAHFIHNXRHN-QUCCMNQESA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034400196 1342466726 /nfs/dbraw/zinc/46/67/26/1342466726.db2.gz WWTFIGQMPXYSGL-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)(C)CC[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034400196 1342466728 /nfs/dbraw/zinc/46/67/28/1342466728.db2.gz WWTFIGQMPXYSGL-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)(C)CC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034400196 1342466731 /nfs/dbraw/zinc/46/67/31/1342466731.db2.gz WWTFIGQMPXYSGL-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444336 1342504281 /nfs/dbraw/zinc/50/42/81/1342504281.db2.gz FOFBPQHCANKLRG-XLIONFOSSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034474951 1342529823 /nfs/dbraw/zinc/52/98/23/1342529823.db2.gz NQDPVWDRHQQWNT-IBGZPJMESA-N 2 1 335.536 3.044 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC(C)C)C1 ZINC001034479753 1342536176 /nfs/dbraw/zinc/53/61/76/1342536176.db2.gz BBJPMOXCWJYQAF-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC(C)C)C1 ZINC001034479753 1342536180 /nfs/dbraw/zinc/53/61/80/1342536180.db2.gz BBJPMOXCWJYQAF-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC(C)C)C1 ZINC001034479753 1342536182 /nfs/dbraw/zinc/53/61/82/1342536182.db2.gz BBJPMOXCWJYQAF-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001034527783 1342584743 /nfs/dbraw/zinc/58/47/43/1342584743.db2.gz HYFVDGUORZDAQN-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP CC1(C)CCC(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001034528780 1342585273 /nfs/dbraw/zinc/58/52/73/1342585273.db2.gz RAKMKOVRITVHKG-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034671993 1342682202 /nfs/dbraw/zinc/68/22/02/1342682202.db2.gz GIQUPPCVPZWHFP-FHWLQOOXSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1)c1ccccc1 ZINC001034733469 1342728531 /nfs/dbraw/zinc/72/85/31/1342728531.db2.gz CPKRLOJMJGUYNX-HNJRGHQBSA-N 2 1 343.515 3.106 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCCC3)CC2)C1 ZINC001034775845 1342753103 /nfs/dbraw/zinc/75/31/03/1342753103.db2.gz KQEUMQUMCAWHNC-UFYCRDLUSA-N 2 1 349.563 3.316 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001034792123 1342760848 /nfs/dbraw/zinc/76/08/48/1342760848.db2.gz FQZPYVZKEZMMJK-LEAZDLGRSA-N 2 1 343.515 3.025 20 0 EGADMP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CC[C@H]2CCC[N@@H+]2C)cs1 ZINC001034962287 1342854197 /nfs/dbraw/zinc/85/41/97/1342854197.db2.gz RBBRQRWKPLXOHM-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001035020349 1342880968 /nfs/dbraw/zinc/88/09/68/1342880968.db2.gz XVJIKWGGQQOKMA-GGPKGHCWSA-N 2 1 343.515 3.121 20 0 EGADMP O=C(N1CCC[C@@H]1C[NH2+]CC1CCCCCC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001035112286 1342936234 /nfs/dbraw/zinc/93/62/34/1342936234.db2.gz LHMPPNAQXTUFOP-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[NH+](CCC(C)C)C3)CC2)CC[N@H+]1C ZINC001035187723 1343000926 /nfs/dbraw/zinc/00/09/26/1343000926.db2.gz DMAGYOKUPXIYAR-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[N@H+](CCC(C)C)C3)CC2)CC[NH+]1C ZINC001035187723 1343000931 /nfs/dbraw/zinc/00/09/31/1343000931.db2.gz DMAGYOKUPXIYAR-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC[N@@H+](CCC(C)C)C3)CC2)CC[NH+]1C ZINC001035187723 1343000934 /nfs/dbraw/zinc/00/09/34/1343000934.db2.gz DMAGYOKUPXIYAR-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC001035217346 1343037912 /nfs/dbraw/zinc/03/79/12/1343037912.db2.gz QTWMIBGBRFZQTF-FHWLQOOXSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC001035217346 1343037914 /nfs/dbraw/zinc/03/79/14/1343037914.db2.gz QTWMIBGBRFZQTF-FHWLQOOXSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC001035217346 1343037920 /nfs/dbraw/zinc/03/79/20/1343037920.db2.gz QTWMIBGBRFZQTF-FHWLQOOXSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001035257047 1343083719 /nfs/dbraw/zinc/08/37/19/1343083719.db2.gz RLZILHLGKFSWNA-IBGZPJMESA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC2(CC[N@H+](C(C)C)C2)CC1)[NH+]1CCCCC1 ZINC001035260369 1343087251 /nfs/dbraw/zinc/08/72/51/1343087251.db2.gz UVWFHVKEAZXZHT-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)CC2 ZINC001035725587 1343154254 /nfs/dbraw/zinc/15/42/54/1343154254.db2.gz ZLNMASJGTYFHQM-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)CC2 ZINC001035773078 1343184606 /nfs/dbraw/zinc/18/46/06/1343184606.db2.gz QECJKXKQRQNRKT-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)[C@@H](C)C1 ZINC001036208184 1343364287 /nfs/dbraw/zinc/36/42/87/1343364287.db2.gz OAUFERMIEZMILJ-WMZOPIPTSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001036409217 1343470261 /nfs/dbraw/zinc/47/02/61/1343470261.db2.gz HBRHCGJCSXOVHZ-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C[NH2+]CC1CCCCC1 ZINC001036556388 1343552312 /nfs/dbraw/zinc/55/23/12/1343552312.db2.gz JYIKYDALMJATIX-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001037216947 1344049317 /nfs/dbraw/zinc/04/93/17/1344049317.db2.gz SXJBVWDIQHOMHT-RTBURBONSA-N 2 1 346.519 3.036 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCC1 ZINC001038238223 1344338160 /nfs/dbraw/zinc/33/81/60/1344338160.db2.gz GJOOFHASDCWRFE-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001038238223 1344338145 /nfs/dbraw/zinc/33/81/45/1344338145.db2.gz GJOOFHASDCWRFE-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001038238223 1344338154 /nfs/dbraw/zinc/33/81/54/1344338154.db2.gz GJOOFHASDCWRFE-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CC1=CCCCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038354557 1344395425 /nfs/dbraw/zinc/39/54/25/1344395425.db2.gz UMLWEMCICTUOSQ-PMACEKPBSA-N 2 1 345.531 3.084 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CC1=CCCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038354557 1344395427 /nfs/dbraw/zinc/39/54/27/1344395427.db2.gz UMLWEMCICTUOSQ-PMACEKPBSA-N 2 1 345.531 3.084 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CC1=CCCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038354557 1344395431 /nfs/dbraw/zinc/39/54/31/1344395431.db2.gz UMLWEMCICTUOSQ-PMACEKPBSA-N 2 1 345.531 3.084 20 0 EGADMP Cc1c(C(=O)NC[C@@H]2CC[N@H+]2CCC2CCCC2)ccc2c[nH+]cn21 ZINC001038432571 1344426621 /nfs/dbraw/zinc/42/66/21/1344426621.db2.gz RZGRISWLFFBLMW-KRWDZBQOSA-N 2 1 340.471 3.027 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1=CCCCC1 ZINC001038443007 1344430007 /nfs/dbraw/zinc/43/00/07/1344430007.db2.gz FXCLPPLGIKTNSA-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001038443007 1344430012 /nfs/dbraw/zinc/43/00/12/1344430012.db2.gz FXCLPPLGIKTNSA-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001038443007 1344430015 /nfs/dbraw/zinc/43/00/15/1344430015.db2.gz FXCLPPLGIKTNSA-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CCC1CCCCC1)c1ccc2c[nH+]cn2c1 ZINC001038520991 1344464095 /nfs/dbraw/zinc/46/40/95/1344464095.db2.gz UCPYTXGGGCMKLI-IBGZPJMESA-N 2 1 340.471 3.109 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038556131 1344481911 /nfs/dbraw/zinc/48/19/11/1344481911.db2.gz PREHYZKUZIAVBT-LJQANCHMSA-N 2 1 345.531 3.031 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001039046657 1344733435 /nfs/dbraw/zinc/73/34/35/1344733435.db2.gz AKLBMDQHWCFCCB-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001039046657 1344733438 /nfs/dbraw/zinc/73/34/38/1344733438.db2.gz AKLBMDQHWCFCCB-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001039046657 1344733446 /nfs/dbraw/zinc/73/34/46/1344733446.db2.gz AKLBMDQHWCFCCB-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001039051397 1344736621 /nfs/dbraw/zinc/73/66/21/1344736621.db2.gz VPXVUYIBSKOPPD-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001039051397 1344736630 /nfs/dbraw/zinc/73/66/30/1344736630.db2.gz VPXVUYIBSKOPPD-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001039051397 1344736638 /nfs/dbraw/zinc/73/66/38/1344736638.db2.gz VPXVUYIBSKOPPD-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CC[NH+](CCC(C)(C)C)C2)CC1 ZINC001039126469 1344803925 /nfs/dbraw/zinc/80/39/25/1344803925.db2.gz LGYONCMXMPPBGV-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001039126469 1344803927 /nfs/dbraw/zinc/80/39/27/1344803927.db2.gz LGYONCMXMPPBGV-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001039126469 1344803930 /nfs/dbraw/zinc/80/39/30/1344803930.db2.gz LGYONCMXMPPBGV-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139479 1344819179 /nfs/dbraw/zinc/81/91/79/1344819179.db2.gz HDOQMEAPYZVEMT-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC001039139479 1344819184 /nfs/dbraw/zinc/81/91/84/1344819184.db2.gz HDOQMEAPYZVEMT-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC001039139479 1344819187 /nfs/dbraw/zinc/81/91/87/1344819187.db2.gz HDOQMEAPYZVEMT-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140521 1344821320 /nfs/dbraw/zinc/82/13/20/1344821320.db2.gz GPJQCACLWQJMCM-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039140521 1344821325 /nfs/dbraw/zinc/82/13/25/1344821325.db2.gz GPJQCACLWQJMCM-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039140521 1344821328 /nfs/dbraw/zinc/82/13/28/1344821328.db2.gz GPJQCACLWQJMCM-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001039141134 1344821345 /nfs/dbraw/zinc/82/13/45/1344821345.db2.gz QWUDRSYHRZQMQF-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001039141134 1344821351 /nfs/dbraw/zinc/82/13/51/1344821351.db2.gz QWUDRSYHRZQMQF-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001039141134 1344821356 /nfs/dbraw/zinc/82/13/56/1344821356.db2.gz QWUDRSYHRZQMQF-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039166480 1344852008 /nfs/dbraw/zinc/85/20/08/1344852008.db2.gz ZAZOWBFRYWBGSZ-QUCCMNQESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001039166480 1344852012 /nfs/dbraw/zinc/85/20/12/1344852012.db2.gz ZAZOWBFRYWBGSZ-QUCCMNQESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001039166480 1344852015 /nfs/dbraw/zinc/85/20/15/1344852015.db2.gz ZAZOWBFRYWBGSZ-QUCCMNQESA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001039296064 1345001225 /nfs/dbraw/zinc/00/12/25/1345001225.db2.gz YFHYAFIHOUGVBL-QZNYNHHHSA-N 2 1 347.547 3.305 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001039415294 1345056063 /nfs/dbraw/zinc/05/60/63/1345056063.db2.gz CIIJNSOLHZHDPS-MOPGFXCFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001039444721 1345069890 /nfs/dbraw/zinc/06/98/90/1345069890.db2.gz OUMRUMFCVUUZHR-MSOLQXFVSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001039444721 1345069895 /nfs/dbraw/zinc/06/98/95/1345069895.db2.gz OUMRUMFCVUUZHR-MSOLQXFVSA-N 2 1 346.519 3.118 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH+](CC)CC2CC2)CC1 ZINC001039490975 1345110835 /nfs/dbraw/zinc/11/08/35/1345110835.db2.gz IUNVZZHYUFSKNF-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC([N@H+](CC)CC2CC2)CC1 ZINC001039490975 1345110838 /nfs/dbraw/zinc/11/08/38/1345110838.db2.gz IUNVZZHYUFSKNF-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC([N@@H+](CC)CC2CC2)CC1 ZINC001039490975 1345110843 /nfs/dbraw/zinc/11/08/43/1345110843.db2.gz IUNVZZHYUFSKNF-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CC=C(C)C)C1 ZINC001039861191 1345217906 /nfs/dbraw/zinc/21/79/06/1345217906.db2.gz ZWAWLOAJIPXQDD-SLFFLAALSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CC=C(C)C)C1 ZINC001039861191 1345217907 /nfs/dbraw/zinc/21/79/07/1345217907.db2.gz ZWAWLOAJIPXQDD-SLFFLAALSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC=C(C)C)C1 ZINC001039861191 1345217911 /nfs/dbraw/zinc/21/79/11/1345217911.db2.gz ZWAWLOAJIPXQDD-SLFFLAALSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCC1)C2)[NH+](C)C ZINC001040381553 1345466553 /nfs/dbraw/zinc/46/65/53/1345466553.db2.gz XLLKUBGULWTJRW-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC3(C2)CC[NH+](CCC(C)(C)C)CC3)C1 ZINC001040847912 1345587778 /nfs/dbraw/zinc/58/77/78/1345587778.db2.gz CCSBIBWMANJAHT-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCC3(C2)CC[NH+](CCC(C)(C)C)CC3)C1 ZINC001040914739 1345599354 /nfs/dbraw/zinc/59/93/54/1345599354.db2.gz SSUMQTYWSGSMPD-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357364 1345708922 /nfs/dbraw/zinc/70/89/22/1345708922.db2.gz GVBJKXMOEGNNII-FPOVZHCZSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041357364 1345708927 /nfs/dbraw/zinc/70/89/27/1345708927.db2.gz GVBJKXMOEGNNII-FPOVZHCZSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001041357364 1345708930 /nfs/dbraw/zinc/70/89/30/1345708930.db2.gz GVBJKXMOEGNNII-FPOVZHCZSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[N@@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041723375 1345832395 /nfs/dbraw/zinc/83/23/95/1345832395.db2.gz HGVDTBOJODQLNR-FQEVSTJZSA-N 2 1 346.519 3.121 20 0 EGADMP CCCC[N@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041723375 1345832396 /nfs/dbraw/zinc/83/23/96/1345832396.db2.gz HGVDTBOJODQLNR-FQEVSTJZSA-N 2 1 346.519 3.121 20 0 EGADMP C[NH+]1CCC(CC(=O)N2CC[C@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)CC1 ZINC001041725672 1345832997 /nfs/dbraw/zinc/83/29/97/1345832997.db2.gz PNPBGFWFXDFRJZ-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041726511 1345833519 /nfs/dbraw/zinc/83/35/19/1345833519.db2.gz ZNWXXCTVWLXZJQ-CTNGQTDRSA-N 2 1 347.547 3.142 20 0 EGADMP CC1CC[NH+](CC(=O)N2CC[C@@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)CC1 ZINC001041757396 1345840875 /nfs/dbraw/zinc/84/08/75/1345840875.db2.gz UNCIZLACXRXBDH-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042233083 1345998765 /nfs/dbraw/zinc/99/87/65/1345998765.db2.gz CJGAJMUYJFNQCD-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042233083 1345998768 /nfs/dbraw/zinc/99/87/68/1345998768.db2.gz CJGAJMUYJFNQCD-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042233083 1345998769 /nfs/dbraw/zinc/99/87/69/1345998769.db2.gz CJGAJMUYJFNQCD-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042286694 1346017683 /nfs/dbraw/zinc/01/76/83/1346017683.db2.gz BUEZGPAZFVEKOO-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1C[NH+](CC2CCCCC2)C1 ZINC001042925179 1346125354 /nfs/dbraw/zinc/12/53/54/1346125354.db2.gz YKYZBAXNFHSDKM-FQEVSTJZSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1C[NH+](CCC2CCCCC2)C1 ZINC001043071765 1346136556 /nfs/dbraw/zinc/13/65/56/1346136556.db2.gz BKHGSIUKCWXPMR-UYAOXDASSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1C[NH+](CCC2CCCCC2)C1 ZINC001043071765 1346136559 /nfs/dbraw/zinc/13/65/59/1346136559.db2.gz BKHGSIUKCWXPMR-UYAOXDASSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[C@@H](CC[NH+]2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001043884898 1346218864 /nfs/dbraw/zinc/21/88/64/1346218864.db2.gz GYDQXZLLMRYMGB-ROUUACIJSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCC[C@@H](CC[NH+]2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001043884898 1346218867 /nfs/dbraw/zinc/21/88/67/1346218867.db2.gz GYDQXZLLMRYMGB-ROUUACIJSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1C[NH+](CCC2=CCCCC2)C1 ZINC001044034098 1346237267 /nfs/dbraw/zinc/23/72/67/1346237267.db2.gz DLNMXHJYZVNHOL-ICSRJNTNSA-N 2 1 345.531 3.036 20 0 EGADMP CN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1C[NH+](CCC2=CCCCC2)C1 ZINC001044034098 1346237270 /nfs/dbraw/zinc/23/72/70/1346237270.db2.gz DLNMXHJYZVNHOL-ICSRJNTNSA-N 2 1 345.531 3.036 20 0 EGADMP CN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1C[NH+](CCCC2CCCC2)C1 ZINC001044034335 1346237509 /nfs/dbraw/zinc/23/75/09/1346237509.db2.gz LLJJAJDOPOQMCI-QUCCMNQESA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1C[NH+](CCCC2CCCC2)C1 ZINC001044034335 1346237511 /nfs/dbraw/zinc/23/75/11/1346237511.db2.gz LLJJAJDOPOQMCI-QUCCMNQESA-N 2 1 347.547 3.116 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001044335217 1346301236 /nfs/dbraw/zinc/30/12/36/1346301236.db2.gz DKQVADYIIKEKEB-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044629698 1346387491 /nfs/dbraw/zinc/38/74/91/1346387491.db2.gz OSOMAEOJEGTBLN-SJLPKXTDSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001044742541 1346418523 /nfs/dbraw/zinc/41/85/23/1346418523.db2.gz HXEUSHQVSQNXKU-MJGOQNOKSA-N 2 1 347.547 3.188 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001045093543 1346494002 /nfs/dbraw/zinc/49/40/02/1346494002.db2.gz YUXRETFUVZBFDX-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001045461784 1346599869 /nfs/dbraw/zinc/59/98/69/1346599869.db2.gz NGNAZTVFOPZYLT-MRXNPFEDSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001045474850 1346602497 /nfs/dbraw/zinc/60/24/97/1346602497.db2.gz BTVSYENUTAEWDH-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC2(C)CC[NH+](CCC3CCCC3)CC2)CC[N@H+]1C ZINC001045536511 1346620968 /nfs/dbraw/zinc/62/09/68/1346620968.db2.gz YCQYUHUINTYEGX-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1(C)CC[NH+](CCC2CCCCC2)CC1 ZINC001045557859 1346628843 /nfs/dbraw/zinc/62/88/43/1346628843.db2.gz XHTDSEDQSSOFHA-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001045585507 1346637790 /nfs/dbraw/zinc/63/77/90/1346637790.db2.gz RYPLQAUMRLZXMY-ROUUACIJSA-N 2 1 349.563 3.410 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001045780651 1346696443 /nfs/dbraw/zinc/69/64/43/1346696443.db2.gz HCSPXSIMUVJXSN-KURKYZTESA-N 2 1 346.519 3.118 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001045780651 1346696445 /nfs/dbraw/zinc/69/64/45/1346696445.db2.gz HCSPXSIMUVJXSN-KURKYZTESA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1)[NH+]1CCCC1 ZINC001045824014 1346709122 /nfs/dbraw/zinc/70/91/22/1346709122.db2.gz PLJKMXKVLZHQME-MOPGFXCFSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001045862303 1346724822 /nfs/dbraw/zinc/72/48/22/1346724822.db2.gz ZCFXNVFEAHTAFR-JQHSSLGASA-N 2 1 346.519 3.090 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001045862303 1346724823 /nfs/dbraw/zinc/72/48/23/1346724823.db2.gz ZCFXNVFEAHTAFR-JQHSSLGASA-N 2 1 346.519 3.090 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001045895592 1346736477 /nfs/dbraw/zinc/73/64/77/1346736477.db2.gz KKWUGIJDFOHBDB-CEXWTWQISA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001045895592 1346736480 /nfs/dbraw/zinc/73/64/80/1346736480.db2.gz KKWUGIJDFOHBDB-CEXWTWQISA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001045895592 1346736483 /nfs/dbraw/zinc/73/64/83/1346736483.db2.gz KKWUGIJDFOHBDB-CEXWTWQISA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CCC(C)C)C2)C1)[NH+](C)C ZINC001045948301 1346783165 /nfs/dbraw/zinc/78/31/65/1346783165.db2.gz XSHVVCMVSZMNMT-QUCCMNQESA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960449 1346795845 /nfs/dbraw/zinc/79/58/45/1346795845.db2.gz KBQAWJDDJQTHFY-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986185 1346827981 /nfs/dbraw/zinc/82/79/81/1346827981.db2.gz JLVKPBOOQFSYCW-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001045986185 1346827983 /nfs/dbraw/zinc/82/79/83/1346827983.db2.gz JLVKPBOOQFSYCW-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001045986185 1346827984 /nfs/dbraw/zinc/82/79/84/1346827984.db2.gz JLVKPBOOQFSYCW-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@](C)(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)cs1 ZINC001046316274 1346931834 /nfs/dbraw/zinc/93/18/34/1346931834.db2.gz NKGLKXIXTOZRKV-IEBWSBKVSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@](C)(NC(=O)[C@H]3CCC[NH+]3C(C)C)C2)cs1 ZINC001046316274 1346931837 /nfs/dbraw/zinc/93/18/37/1346931837.db2.gz NKGLKXIXTOZRKV-IEBWSBKVSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@](C)(NC(=O)[C@H]3CCC[NH+]3C(C)C)C2)cs1 ZINC001046316274 1346931841 /nfs/dbraw/zinc/93/18/41/1346931841.db2.gz NKGLKXIXTOZRKV-IEBWSBKVSA-N 2 1 349.544 3.010 20 0 EGADMP C[C@]1(NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+](CCC2CCCC2)C1 ZINC001046487419 1346992187 /nfs/dbraw/zinc/99/21/87/1346992187.db2.gz XDWYBACEDZJNMQ-FQEVSTJZSA-N 2 1 340.471 3.109 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC3CCCCCC3)C2)CC[N@H+]1C ZINC001046570017 1347021939 /nfs/dbraw/zinc/02/19/39/1347021939.db2.gz UBROHNBNXDNULS-CUWPLCDZSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001046570017 1347021940 /nfs/dbraw/zinc/02/19/40/1347021940.db2.gz UBROHNBNXDNULS-CUWPLCDZSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001046570017 1347021945 /nfs/dbraw/zinc/02/19/45/1347021945.db2.gz UBROHNBNXDNULS-CUWPLCDZSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700586 1357350923 /nfs/dbraw/zinc/35/09/23/1357350923.db2.gz FBGZODUGHCLZNK-QWFCFKBJSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001079700586 1357350927 /nfs/dbraw/zinc/35/09/27/1357350927.db2.gz FBGZODUGHCLZNK-QWFCFKBJSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001079700586 1357350932 /nfs/dbraw/zinc/35/09/32/1357350932.db2.gz FBGZODUGHCLZNK-QWFCFKBJSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048582993 1347605202 /nfs/dbraw/zinc/60/52/02/1347605202.db2.gz BNJSDOCTCAXCJO-SWBPCFCJSA-N 2 1 349.563 3.122 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001048601031 1347614505 /nfs/dbraw/zinc/61/45/05/1347614505.db2.gz YFLUZIFBILVTRD-VAMGGRTRSA-N 2 1 349.563 3.173 20 0 EGADMP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001048615689 1347619295 /nfs/dbraw/zinc/61/92/95/1347619295.db2.gz LRKZWQWERHVOKT-BJLQDIEVSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC001049466122 1347861804 /nfs/dbraw/zinc/86/18/04/1347861804.db2.gz ZNBWNHZZXBUPSQ-CEXWTWQISA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049466122 1347861807 /nfs/dbraw/zinc/86/18/07/1347861807.db2.gz ZNBWNHZZXBUPSQ-CEXWTWQISA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C ZINC001049466122 1347861808 /nfs/dbraw/zinc/86/18/08/1347861808.db2.gz ZNBWNHZZXBUPSQ-CEXWTWQISA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482465 1347870411 /nfs/dbraw/zinc/87/04/11/1347870411.db2.gz NKXLVBMAQIACMH-MTQWCTHYSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001049482465 1347870412 /nfs/dbraw/zinc/87/04/12/1347870412.db2.gz NKXLVBMAQIACMH-MTQWCTHYSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049482465 1347870413 /nfs/dbraw/zinc/87/04/13/1347870413.db2.gz NKXLVBMAQIACMH-MTQWCTHYSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC1CCC1)[NH+](C)C ZINC001049533125 1347894947 /nfs/dbraw/zinc/89/49/47/1347894947.db2.gz MOONIKFQWRGSOL-AQNXPRMDSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001049534972 1347896193 /nfs/dbraw/zinc/89/61/93/1347896193.db2.gz XURMQOPRIRGFCA-FHWLQOOXSA-N 2 1 349.563 3.074 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC001049535664 1347896942 /nfs/dbraw/zinc/89/69/42/1347896942.db2.gz IHCZXQXHBRHZOU-CEXWTWQISA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049535664 1347896945 /nfs/dbraw/zinc/89/69/45/1347896945.db2.gz IHCZXQXHBRHZOU-CEXWTWQISA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC(C)(C)C ZINC001049535664 1347896947 /nfs/dbraw/zinc/89/69/47/1347896947.db2.gz IHCZXQXHBRHZOU-CEXWTWQISA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC1CCCC1 ZINC001049725297 1347991557 /nfs/dbraw/zinc/99/15/57/1347991557.db2.gz WHKFIOVXRQEMJD-YZGWKJHDSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CCCC1 ZINC001049725297 1347991560 /nfs/dbraw/zinc/99/15/60/1347991560.db2.gz WHKFIOVXRQEMJD-YZGWKJHDSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CCCC1 ZINC001049725297 1347991562 /nfs/dbraw/zinc/99/15/62/1347991562.db2.gz WHKFIOVXRQEMJD-YZGWKJHDSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049919229 1348111961 /nfs/dbraw/zinc/11/19/61/1348111961.db2.gz OBIICRWHTVZVPH-UXHICEINSA-N 2 1 343.515 3.227 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050067121 1348171259 /nfs/dbraw/zinc/17/12/59/1348171259.db2.gz OHISLIIVJZNLGX-SLFFLAALSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050067121 1348171261 /nfs/dbraw/zinc/17/12/61/1348171261.db2.gz OHISLIIVJZNLGX-SLFFLAALSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050067121 1348171262 /nfs/dbraw/zinc/17/12/62/1348171262.db2.gz OHISLIIVJZNLGX-SLFFLAALSA-N 2 1 347.547 3.138 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC3(C2)CC[NH+](CCC(C)(C)C)CC3)CC[N@H+]1C ZINC001050635098 1348309919 /nfs/dbraw/zinc/30/99/19/1348309919.db2.gz HHHMTSMPPGATJC-ROUUACIJSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(C)C)CC2 ZINC001050728194 1348339794 /nfs/dbraw/zinc/33/97/94/1348339794.db2.gz ODEXJHFLQAQFHD-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052376041 1348534666 /nfs/dbraw/zinc/53/46/66/1348534666.db2.gz CHAYKUUARGMJIG-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCC[N@@H+](Cc2ccsc2)CC1)[NH+]1CCCC1 ZINC001052618896 1348598163 /nfs/dbraw/zinc/59/81/63/1348598163.db2.gz AGTGATFDVIZPPT-KRWDZBQOSA-N 2 1 349.544 3.093 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CCCCCC3)CC2)CC1 ZINC001052680464 1348627315 /nfs/dbraw/zinc/62/73/15/1348627315.db2.gz LNAOBSGXLDWUPI-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)cs1 ZINC001052716870 1348646492 /nfs/dbraw/zinc/64/64/92/1348646492.db2.gz QDYYPBLWYGQCJW-QAPCUYQASA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCC[C@H]3C)CC2)cs1 ZINC001052716870 1348646496 /nfs/dbraw/zinc/64/64/96/1348646496.db2.gz QDYYPBLWYGQCJW-QAPCUYQASA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCC[C@H]3C)CC2)cs1 ZINC001052716870 1348646500 /nfs/dbraw/zinc/64/65/00/1348646500.db2.gz QDYYPBLWYGQCJW-QAPCUYQASA-N 2 1 349.544 3.012 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC001052820171 1348689663 /nfs/dbraw/zinc/68/96/63/1348689663.db2.gz MQYAYDXYOFOKHB-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CCCC3)CC2)CC1 ZINC001052836213 1348695406 /nfs/dbraw/zinc/69/54/06/1348695406.db2.gz GKDQZWNJLSHYGL-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052954322 1348768199 /nfs/dbraw/zinc/76/81/99/1348768199.db2.gz MWEMMNKNKHJSAQ-FQEVSTJZSA-N 2 1 345.531 3.379 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053028458 1348827113 /nfs/dbraw/zinc/82/71/13/1348827113.db2.gz MEABUGWMKNKLLF-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053028458 1348827116 /nfs/dbraw/zinc/82/71/16/1348827116.db2.gz MEABUGWMKNKLLF-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053028458 1348827122 /nfs/dbraw/zinc/82/71/22/1348827122.db2.gz MEABUGWMKNKLLF-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053102869 1348936324 /nfs/dbraw/zinc/93/63/24/1348936324.db2.gz WPBGDTCQEWLBEL-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC3CCCCC3)C2)C1)[NH+](C)C ZINC001054152733 1349156250 /nfs/dbraw/zinc/15/62/50/1349156250.db2.gz GUUZMNSWXUVLEZ-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](CC(C)C)C2 ZINC001054267516 1349265036 /nfs/dbraw/zinc/26/50/36/1349265036.db2.gz YGWQAYBVFYDZHE-FQEVSTJZSA-N 2 1 343.515 3.149 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](CC(C)C)C2 ZINC001054267516 1349265037 /nfs/dbraw/zinc/26/50/37/1349265037.db2.gz YGWQAYBVFYDZHE-FQEVSTJZSA-N 2 1 343.515 3.149 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](CC(C)C)C2 ZINC001054267516 1349265041 /nfs/dbraw/zinc/26/50/41/1349265041.db2.gz YGWQAYBVFYDZHE-FQEVSTJZSA-N 2 1 343.515 3.149 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCc2ccc3c(c2)C[NH+](C(C)C)C3)C1 ZINC001054268555 1349267074 /nfs/dbraw/zinc/26/70/74/1349267074.db2.gz PQAXOCONAYAYCM-IBGZPJMESA-N 2 1 343.515 3.005 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NCc2ccc3c(c2)C[N@H+](C(C)C)C3)C1 ZINC001054268555 1349267079 /nfs/dbraw/zinc/26/70/79/1349267079.db2.gz PQAXOCONAYAYCM-IBGZPJMESA-N 2 1 343.515 3.005 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NCc2ccc3c(c2)C[N@@H+](C(C)C)C3)C1 ZINC001054268555 1349267085 /nfs/dbraw/zinc/26/70/85/1349267085.db2.gz PQAXOCONAYAYCM-IBGZPJMESA-N 2 1 343.515 3.005 20 0 EGADMP CC(C)CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2C1 ZINC001054270766 1349269716 /nfs/dbraw/zinc/26/97/16/1349269716.db2.gz ZZQRNKKYIXFNIB-FQEVSTJZSA-N 2 1 343.515 3.149 20 0 EGADMP CC(C)CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cc2C1 ZINC001054270766 1349269718 /nfs/dbraw/zinc/26/97/18/1349269718.db2.gz ZZQRNKKYIXFNIB-FQEVSTJZSA-N 2 1 343.515 3.149 20 0 EGADMP CC(C)CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3C)cc2C1 ZINC001054270766 1349269721 /nfs/dbraw/zinc/26/97/21/1349269721.db2.gz ZZQRNKKYIXFNIB-FQEVSTJZSA-N 2 1 343.515 3.149 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)cc2C1 ZINC001054285718 1349288515 /nfs/dbraw/zinc/28/85/15/1349288515.db2.gz WIFJHTGNYAFXRW-WOJBJXKFSA-N 2 1 341.499 3.045 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)cc2C1 ZINC001054285718 1349288517 /nfs/dbraw/zinc/28/85/17/1349288517.db2.gz WIFJHTGNYAFXRW-WOJBJXKFSA-N 2 1 341.499 3.045 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)cc2C1 ZINC001054285718 1349288522 /nfs/dbraw/zinc/28/85/22/1349288522.db2.gz WIFJHTGNYAFXRW-WOJBJXKFSA-N 2 1 341.499 3.045 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C[C@@H](c3ccccc3)CC2=O)CC1 ZINC001322962222 1387256741 /nfs/dbraw/zinc/25/67/41/1387256741.db2.gz RJZMHQIFIARAHB-FQEVSTJZSA-N 2 1 343.515 3.012 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC2)C1 ZINC001183129767 1387267014 /nfs/dbraw/zinc/26/70/14/1387267014.db2.gz YHOXILLYVGDDHS-SLYNCCJLSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@H+]1CC1CCCC1 ZINC001071508719 1354733390 /nfs/dbraw/zinc/73/33/90/1354733390.db2.gz SHWJSDDBPVHQQM-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071547004 1354760176 /nfs/dbraw/zinc/76/01/76/1354760176.db2.gz QAALSVAACMKQMN-GOEBONIOSA-N 2 1 337.533 3.048 20 0 EGADMP CC(C)C[N@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071547004 1354760178 /nfs/dbraw/zinc/76/01/78/1354760178.db2.gz QAALSVAACMKQMN-GOEBONIOSA-N 2 1 337.533 3.048 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CCC1=CCCCC1 ZINC001071796015 1354941095 /nfs/dbraw/zinc/94/10/95/1354941095.db2.gz PERCVSRLTFMVOT-YLJYHZDGSA-N 2 1 347.547 3.188 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071873522 1354998711 /nfs/dbraw/zinc/99/87/11/1354998711.db2.gz YATNNPMWKOFOSS-VQIMIIECSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071953776 1355038911 /nfs/dbraw/zinc/03/89/11/1355038911.db2.gz FMQOINZQACMDJP-IEBWSBKVSA-N 2 1 337.552 3.122 20 0 EGADMP CCCC[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072096040 1355127695 /nfs/dbraw/zinc/12/76/95/1355127695.db2.gz SELLBVVRYKVODB-LPHOPBHVSA-N 2 1 331.504 3.131 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072813180 1355448476 /nfs/dbraw/zinc/44/84/76/1355448476.db2.gz HTBNPUHCBVAMER-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001072813180 1355448479 /nfs/dbraw/zinc/44/84/79/1355448479.db2.gz HTBNPUHCBVAMER-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001072813180 1355448482 /nfs/dbraw/zinc/44/84/82/1355448482.db2.gz HTBNPUHCBVAMER-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(CC)CC)C1 ZINC001183221541 1387281693 /nfs/dbraw/zinc/28/16/93/1387281693.db2.gz PKPXHKITFIDDHC-YLJYHZDGSA-N 2 1 339.568 3.229 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC2CCCCC2)CC[N@H+]1C ZINC001074018275 1356037658 /nfs/dbraw/zinc/03/76/58/1356037658.db2.gz UEMQSNDJGLJRSR-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CCCCC2)CC[NH+]1C ZINC001074018275 1356037659 /nfs/dbraw/zinc/03/76/59/1356037659.db2.gz UEMQSNDJGLJRSR-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CCCCC2)CC[NH+]1C ZINC001074018275 1356037662 /nfs/dbraw/zinc/03/76/62/1356037662.db2.gz UEMQSNDJGLJRSR-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCC1)[NH+]1CCCCCC1 ZINC001074075590 1356069756 /nfs/dbraw/zinc/06/97/56/1356069756.db2.gz HQHJCPJDCYSBGL-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CC2CCC(C)CC2)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001074832499 1356260127 /nfs/dbraw/zinc/26/01/27/1356260127.db2.gz UMHUUOSZICLSHU-NPFFOCMASA-N 2 1 349.563 3.122 20 0 EGADMP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)CC1 ZINC001075452815 1356387267 /nfs/dbraw/zinc/38/72/67/1356387267.db2.gz QOYXPOBDSSYKKT-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC001075452815 1356387271 /nfs/dbraw/zinc/38/72/71/1356387271.db2.gz QOYXPOBDSSYKKT-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC001075452815 1356387273 /nfs/dbraw/zinc/38/72/73/1356387273.db2.gz QOYXPOBDSSYKKT-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461624 1356395449 /nfs/dbraw/zinc/39/54/49/1356395449.db2.gz MXPPMKRGDXRORM-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCCC3CCCC3)C[C@H]21)[NH+](C)C ZINC001084639441 1358265931 /nfs/dbraw/zinc/26/59/31/1358265931.db2.gz SLMXKHHQEPETFM-VAMGGRTRSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC(C)(C)C)C[C@H]21 ZINC001084701538 1358286917 /nfs/dbraw/zinc/28/69/17/1358286917.db2.gz IJIVJTBXHPPGNH-CEXWTWQISA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001084701538 1358286924 /nfs/dbraw/zinc/28/69/24/1358286924.db2.gz IJIVJTBXHPPGNH-CEXWTWQISA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001084701538 1358286933 /nfs/dbraw/zinc/28/69/33/1358286933.db2.gz IJIVJTBXHPPGNH-CEXWTWQISA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001085196558 1358430454 /nfs/dbraw/zinc/43/04/54/1358430454.db2.gz DRTILCHGXQNTGL-AQNXPRMDSA-N 2 1 349.563 3.457 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085597767 1358624445 /nfs/dbraw/zinc/62/44/45/1358624445.db2.gz FSQQOKNGEDOJDQ-UYAOXDASSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085597767 1358624447 /nfs/dbraw/zinc/62/44/47/1358624447.db2.gz FSQQOKNGEDOJDQ-UYAOXDASSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085597767 1358624452 /nfs/dbraw/zinc/62/44/52/1358624452.db2.gz FSQQOKNGEDOJDQ-UYAOXDASSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085622680 1358642889 /nfs/dbraw/zinc/64/28/89/1358642889.db2.gz BEYBKIHNQGAFHW-HOCLYGCPSA-N 2 1 337.533 3.002 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085622680 1358642892 /nfs/dbraw/zinc/64/28/92/1358642892.db2.gz BEYBKIHNQGAFHW-HOCLYGCPSA-N 2 1 337.533 3.002 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCC1CCCC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085725847 1358714337 /nfs/dbraw/zinc/71/43/37/1358714337.db2.gz HLYWVFPNYBONIJ-IBGZPJMESA-N 2 1 340.471 3.061 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC2=CCCCC2)C1 ZINC001085778804 1358754016 /nfs/dbraw/zinc/75/40/16/1358754016.db2.gz HYUWYVGOENFONL-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC2=CCCCC2)C1 ZINC001085778804 1358754019 /nfs/dbraw/zinc/75/40/19/1358754019.db2.gz HYUWYVGOENFONL-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC2=CCCCC2)C1 ZINC001085778804 1358754022 /nfs/dbraw/zinc/75/40/22/1358754022.db2.gz HYUWYVGOENFONL-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001183827305 1387355133 /nfs/dbraw/zinc/35/51/33/1387355133.db2.gz ZGYMIZBFXNINMV-QGZVFWFLSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994167 1358948345 /nfs/dbraw/zinc/94/83/45/1358948345.db2.gz DOXSRADYXWDOSW-IAGOWNOFSA-N 2 1 349.519 3.314 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001086122436 1359002896 /nfs/dbraw/zinc/00/28/96/1359002896.db2.gz KXYAILXAQHAKQJ-CEXWTWQISA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001086413380 1359091031 /nfs/dbraw/zinc/09/10/31/1359091031.db2.gz FVOFFXBPHAVIEK-VAMGGRTRSA-N 2 1 347.547 3.092 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086477851 1359113984 /nfs/dbraw/zinc/11/39/84/1359113984.db2.gz ASVRKZPHANJVDX-AFYVEPGGSA-N 2 1 349.563 3.029 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001086558545 1359145281 /nfs/dbraw/zinc/14/52/81/1359145281.db2.gz AEHYXCADCNLQLF-UFYCRDLUSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087318443 1359409810 /nfs/dbraw/zinc/40/98/10/1359409810.db2.gz XVFHNZDUDPIAAX-NEWSRXKRSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CCC1CCCCCC1 ZINC001087523037 1359509228 /nfs/dbraw/zinc/50/92/28/1359509228.db2.gz GWRBJKLPDLMVOI-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CCC1CCCCCC1 ZINC001087523037 1359509230 /nfs/dbraw/zinc/50/92/30/1359509230.db2.gz GWRBJKLPDLMVOI-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CCC1CCCCCC1 ZINC001087523037 1359509232 /nfs/dbraw/zinc/50/92/32/1359509232.db2.gz GWRBJKLPDLMVOI-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)[C@@H]2CC)CC[NH+]1C ZINC001087578819 1359539490 /nfs/dbraw/zinc/53/94/90/1359539490.db2.gz QTDULJAJWIAFKD-WNRNVDISSA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC[NH+]1CCC(C)(C)C ZINC001087578819 1359539493 /nfs/dbraw/zinc/53/94/93/1359539493.db2.gz QTDULJAJWIAFKD-WNRNVDISSA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC[NH+]1CCC(C)(C)C ZINC001087578819 1359539498 /nfs/dbraw/zinc/53/94/98/1359539498.db2.gz QTDULJAJWIAFKD-WNRNVDISSA-N 2 1 337.552 3.122 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)[C@@H]1CC ZINC001087593416 1359547012 /nfs/dbraw/zinc/54/70/12/1359547012.db2.gz GCLCTPDZRUVXEN-OTWHNJEPSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)[C@@H]1CC ZINC001087593416 1359547013 /nfs/dbraw/zinc/54/70/13/1359547013.db2.gz GCLCTPDZRUVXEN-OTWHNJEPSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@@H]1CC ZINC001087593416 1359547016 /nfs/dbraw/zinc/54/70/16/1359547016.db2.gz GCLCTPDZRUVXEN-OTWHNJEPSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC1CCCCC1 ZINC001087749909 1359626295 /nfs/dbraw/zinc/62/62/95/1359626295.db2.gz HEKLCBPAIYFNME-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792277 1359648630 /nfs/dbraw/zinc/64/86/30/1359648630.db2.gz WSZCZAZCIFXJGQ-IPMKNSEASA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H]1CC ZINC001087792277 1359648634 /nfs/dbraw/zinc/64/86/34/1359648634.db2.gz WSZCZAZCIFXJGQ-IPMKNSEASA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@H]1CC ZINC001087792277 1359648636 /nfs/dbraw/zinc/64/86/36/1359648636.db2.gz WSZCZAZCIFXJGQ-IPMKNSEASA-N 2 1 337.552 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CCC1=CCCCC1 ZINC001087797062 1359650379 /nfs/dbraw/zinc/65/03/79/1359650379.db2.gz WHTXFSFYBHZCLQ-HSALFYBXSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CCC1=CCCCC1 ZINC001087797062 1359650382 /nfs/dbraw/zinc/65/03/82/1359650382.db2.gz WHTXFSFYBHZCLQ-HSALFYBXSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCC1=CCCCC1 ZINC001087797062 1359650385 /nfs/dbraw/zinc/65/03/85/1359650385.db2.gz WHTXFSFYBHZCLQ-HSALFYBXSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@@H+]1CC1CCCCCC1 ZINC001087830652 1359668274 /nfs/dbraw/zinc/66/82/74/1359668274.db2.gz RCEKOUOFURWABA-RBUKOAKNSA-N 2 1 346.519 3.131 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@H+]1CC1CCCCCC1 ZINC001087830652 1359668276 /nfs/dbraw/zinc/66/82/76/1359668276.db2.gz RCEKOUOFURWABA-RBUKOAKNSA-N 2 1 346.519 3.131 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001087838882 1359672279 /nfs/dbraw/zinc/67/22/79/1359672279.db2.gz ZNJPYVKNNVIQPZ-FFZOFVMBSA-N 2 1 345.531 3.377 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087963692 1359720779 /nfs/dbraw/zinc/72/07/79/1359720779.db2.gz CNYFPXLSPVWROT-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087963692 1359720782 /nfs/dbraw/zinc/72/07/82/1359720782.db2.gz CNYFPXLSPVWROT-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087963692 1359720792 /nfs/dbraw/zinc/72/07/92/1359720792.db2.gz CNYFPXLSPVWROT-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129931 1359768100 /nfs/dbraw/zinc/76/81/00/1359768100.db2.gz NBBYLVHBNBOYMV-AQNXPRMDSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001323639040 1387414572 /nfs/dbraw/zinc/41/45/72/1387414572.db2.gz WRXQUCXXKQCABE-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1c[nH+]c2ccccc2c1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001323640991 1387415104 /nfs/dbraw/zinc/41/51/04/1387415104.db2.gz HLUZNJRQHFWVIV-IBGZPJMESA-N 2 1 347.462 3.144 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001088382991 1359864882 /nfs/dbraw/zinc/86/48/82/1359864882.db2.gz RBVOTKDEBDAXTM-SJLPKXTDSA-N 2 1 349.544 3.093 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCCCC[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001088414173 1359884681 /nfs/dbraw/zinc/88/46/81/1359884681.db2.gz YYTMSXAZLNTIBK-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001088425374 1359893690 /nfs/dbraw/zinc/89/36/90/1359893690.db2.gz ULLTZBDGGBYPOH-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@@H+]1CC1CCCCC1 ZINC001088822701 1360063644 /nfs/dbraw/zinc/06/36/44/1360063644.db2.gz DFIFGWGXGFEKDO-QAPCUYQASA-N 2 1 347.503 3.114 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@H+]1CC1CCCCC1 ZINC001088822701 1360063648 /nfs/dbraw/zinc/06/36/48/1360063648.db2.gz DFIFGWGXGFEKDO-QAPCUYQASA-N 2 1 347.503 3.114 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1C ZINC001088890745 1360093621 /nfs/dbraw/zinc/09/36/21/1360093621.db2.gz KOOJQYNOVLAXST-AEFFLSMTSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1C ZINC001088890745 1360093630 /nfs/dbraw/zinc/09/36/30/1360093630.db2.gz KOOJQYNOVLAXST-AEFFLSMTSA-N 2 1 346.519 3.166 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1CCC(C)(C)C ZINC001089060441 1360152495 /nfs/dbraw/zinc/15/24/95/1360152495.db2.gz MFKUFMSXQPSEQH-APWZRJJASA-N 2 1 345.531 3.377 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCCC[C@H]1C[NH+](C)CC1CCC1 ZINC001089186387 1360237130 /nfs/dbraw/zinc/23/71/30/1360237130.db2.gz VZCLTKNIRJIDST-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCC1 ZINC001089186387 1360237131 /nfs/dbraw/zinc/23/71/31/1360237131.db2.gz VZCLTKNIRJIDST-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC001089186387 1360237136 /nfs/dbraw/zinc/23/71/36/1360237136.db2.gz VZCLTKNIRJIDST-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089406696 1360404927 /nfs/dbraw/zinc/40/49/27/1360404927.db2.gz QRJWLRHWJCXKHR-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089406696 1360404928 /nfs/dbraw/zinc/40/49/28/1360404928.db2.gz QRJWLRHWJCXKHR-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089406696 1360404929 /nfs/dbraw/zinc/40/49/29/1360404929.db2.gz QRJWLRHWJCXKHR-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC3=CCCCC3)CC(C)(C)C2)C1 ZINC001089558237 1360507239 /nfs/dbraw/zinc/50/72/39/1360507239.db2.gz GBPJNCVUDJYRPP-RBUKOAKNSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC3=CCCCC3)CC(C)(C)C2)C1 ZINC001089558237 1360507241 /nfs/dbraw/zinc/50/72/41/1360507241.db2.gz GBPJNCVUDJYRPP-RBUKOAKNSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC3=CCCCC3)CC(C)(C)C2)C1 ZINC001089558237 1360507243 /nfs/dbraw/zinc/50/72/43/1360507243.db2.gz GBPJNCVUDJYRPP-RBUKOAKNSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089564543 1360511709 /nfs/dbraw/zinc/51/17/09/1360511709.db2.gz BPQLQHYZTWYTAB-GOSISDBHSA-N 2 1 345.531 3.379 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001089645855 1360558401 /nfs/dbraw/zinc/55/84/01/1360558401.db2.gz BQYLGONYWPCZGS-OALUTQOASA-N 2 1 349.563 3.434 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC=C(C)C ZINC001089645855 1360558404 /nfs/dbraw/zinc/55/84/04/1360558404.db2.gz BQYLGONYWPCZGS-OALUTQOASA-N 2 1 349.563 3.434 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC=C(C)C ZINC001089645855 1360558406 /nfs/dbraw/zinc/55/84/06/1360558406.db2.gz BQYLGONYWPCZGS-OALUTQOASA-N 2 1 349.563 3.434 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CCC2CC2)CC[N@H+]1C ZINC001089686392 1360591588 /nfs/dbraw/zinc/59/15/88/1360591588.db2.gz RQJJKYYGDWFPER-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CCC2CC2)CC[NH+]1C ZINC001089686392 1360591593 /nfs/dbraw/zinc/59/15/93/1360591593.db2.gz RQJJKYYGDWFPER-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CCC2CC2)CC[NH+]1C ZINC001089686392 1360591594 /nfs/dbraw/zinc/59/15/94/1360591594.db2.gz RQJJKYYGDWFPER-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089723161 1360626607 /nfs/dbraw/zinc/62/66/07/1360626607.db2.gz HJYDCRSEPCIKJO-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CCCCC2)C1 ZINC001089732097 1360636469 /nfs/dbraw/zinc/63/64/69/1360636469.db2.gz MCHZOYGUYIUGJU-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC2CCCCC2)C1 ZINC001089732097 1360636470 /nfs/dbraw/zinc/63/64/70/1360636470.db2.gz MCHZOYGUYIUGJU-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC2CCCCC2)C1 ZINC001089732097 1360636472 /nfs/dbraw/zinc/63/64/72/1360636472.db2.gz MCHZOYGUYIUGJU-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC(C)C ZINC001089734861 1360639435 /nfs/dbraw/zinc/63/94/35/1360639435.db2.gz ZFRWZZZBKKOAGT-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(C)C ZINC001089734861 1360639437 /nfs/dbraw/zinc/63/94/37/1360639437.db2.gz ZFRWZZZBKKOAGT-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(C)C ZINC001089734861 1360639440 /nfs/dbraw/zinc/63/94/40/1360639440.db2.gz ZFRWZZZBKKOAGT-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001091038973 1360983576 /nfs/dbraw/zinc/98/35/76/1360983576.db2.gz INJJAQHADOGEEV-GHBBCFCZSA-N 2 1 347.547 3.092 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2CC([NH2+]CC3=CCCCC3)C2)C1 ZINC001091198765 1361004821 /nfs/dbraw/zinc/00/48/21/1361004821.db2.gz SMKGIDZKYFMUHZ-IOJLRTSASA-N 2 1 347.547 3.093 20 0 EGADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCCC3CCCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001092022301 1361275804 /nfs/dbraw/zinc/27/58/04/1361275804.db2.gz RSENFRBTLZAPFF-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC=C(C)C)CC2 ZINC001094430263 1361799261 /nfs/dbraw/zinc/79/92/61/1361799261.db2.gz JCICGGCMJFQMQA-SFHLNBCPSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC=C(C)C)CC2 ZINC001094430263 1361799265 /nfs/dbraw/zinc/79/92/65/1361799265.db2.gz JCICGGCMJFQMQA-SFHLNBCPSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC=C(C)C)CC2 ZINC001094430263 1361799269 /nfs/dbraw/zinc/79/92/69/1361799269.db2.gz JCICGGCMJFQMQA-SFHLNBCPSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001095405664 1362130363 /nfs/dbraw/zinc/13/03/63/1362130363.db2.gz ZJOWZESELGWZBY-YDZRNGNQSA-N 2 1 347.547 3.017 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1 ZINC001095405664 1362130366 /nfs/dbraw/zinc/13/03/66/1362130366.db2.gz ZJOWZESELGWZBY-YDZRNGNQSA-N 2 1 347.547 3.017 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1 ZINC001095405664 1362130367 /nfs/dbraw/zinc/13/03/67/1362130367.db2.gz ZJOWZESELGWZBY-YDZRNGNQSA-N 2 1 347.547 3.017 20 0 EGADMP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001095483304 1362155557 /nfs/dbraw/zinc/15/55/57/1362155557.db2.gz IOESDHZRSAIFMR-SIXLDLHFSA-N 2 1 349.544 3.191 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001095483304 1362155560 /nfs/dbraw/zinc/15/55/60/1362155560.db2.gz IOESDHZRSAIFMR-SIXLDLHFSA-N 2 1 349.544 3.191 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCCC2)CC1 ZINC001095962728 1362311449 /nfs/dbraw/zinc/31/14/49/1362311449.db2.gz BPQDDOPSILDKLV-AABGKKOBSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001096012757 1362333945 /nfs/dbraw/zinc/33/39/45/1362333945.db2.gz YIYCUMUXQYPCJH-RNQOJCNYSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001096012757 1362333947 /nfs/dbraw/zinc/33/39/47/1362333947.db2.gz YIYCUMUXQYPCJH-RNQOJCNYSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001096012757 1362333951 /nfs/dbraw/zinc/33/39/51/1362333951.db2.gz YIYCUMUXQYPCJH-RNQOJCNYSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001096176555 1362415970 /nfs/dbraw/zinc/41/59/70/1362415970.db2.gz ZINDPHUGSUPPRM-LDTOTXGLSA-N 2 1 343.515 3.129 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001324264718 1387574619 /nfs/dbraw/zinc/57/46/19/1387574619.db2.gz YRQKLTKNDGYRAO-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001097177298 1362875465 /nfs/dbraw/zinc/87/54/65/1362875465.db2.gz NARCJXBSFKWCPY-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001097177298 1362875467 /nfs/dbraw/zinc/87/54/67/1362875467.db2.gz NARCJXBSFKWCPY-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001097177298 1362875470 /nfs/dbraw/zinc/87/54/70/1362875470.db2.gz NARCJXBSFKWCPY-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001097974903 1363186041 /nfs/dbraw/zinc/18/60/41/1363186041.db2.gz YOLGYICBCWXNIR-ZRNYENFQSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1 ZINC001097974903 1363186042 /nfs/dbraw/zinc/18/60/42/1363186042.db2.gz YOLGYICBCWXNIR-ZRNYENFQSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001097974903 1363186044 /nfs/dbraw/zinc/18/60/44/1363186044.db2.gz YOLGYICBCWXNIR-ZRNYENFQSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001098461179 1363332360 /nfs/dbraw/zinc/33/23/60/1363332360.db2.gz RRAYMAOUARGKBZ-RLLQIKCJSA-N 2 1 341.499 3.050 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001098459664 1363332426 /nfs/dbraw/zinc/33/24/26/1363332426.db2.gz PASGJOJRXVTHGT-OBZTUIKSSA-N 2 1 343.515 3.129 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001185119921 1387622902 /nfs/dbraw/zinc/62/29/02/1387622902.db2.gz MHVQATVTIFTJCZ-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001098975366 1363550627 /nfs/dbraw/zinc/55/06/27/1363550627.db2.gz HBZHYGQLOHBKEH-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001098975366 1363550631 /nfs/dbraw/zinc/55/06/31/1363550631.db2.gz HBZHYGQLOHBKEH-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001098975366 1363550633 /nfs/dbraw/zinc/55/06/33/1363550633.db2.gz HBZHYGQLOHBKEH-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001098976535 1363551658 /nfs/dbraw/zinc/55/16/58/1363551658.db2.gz UZCGEMNRBOSTEE-IKSUFZCESA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001098976535 1363551660 /nfs/dbraw/zinc/55/16/60/1363551660.db2.gz UZCGEMNRBOSTEE-IKSUFZCESA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001098976535 1363551667 /nfs/dbraw/zinc/55/16/67/1363551667.db2.gz UZCGEMNRBOSTEE-IKSUFZCESA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001099081248 1363612949 /nfs/dbraw/zinc/61/29/49/1363612949.db2.gz ZHYZMGADFPZVAU-XCLUONLBSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001099081248 1363612953 /nfs/dbraw/zinc/61/29/53/1363612953.db2.gz ZHYZMGADFPZVAU-XCLUONLBSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001099081248 1363612956 /nfs/dbraw/zinc/61/29/56/1363612956.db2.gz ZHYZMGADFPZVAU-XCLUONLBSA-N 2 1 349.563 3.290 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCCC1)C1CC1 ZINC001099106368 1363625234 /nfs/dbraw/zinc/62/52/34/1363625234.db2.gz DVJDXNMJPWLVMH-RTBURBONSA-N 2 1 349.563 3.124 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099111280 1363629743 /nfs/dbraw/zinc/62/97/43/1363629743.db2.gz XCUQIHCFCOSSAV-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099111280 1363629747 /nfs/dbraw/zinc/62/97/47/1363629747.db2.gz XCUQIHCFCOSSAV-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001099111280 1363629751 /nfs/dbraw/zinc/62/97/51/1363629751.db2.gz XCUQIHCFCOSSAV-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099125559 1363638163 /nfs/dbraw/zinc/63/81/63/1363638163.db2.gz IKMAIDYDYQFZHR-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001099153728 1363659492 /nfs/dbraw/zinc/65/94/92/1363659492.db2.gz OXPRKACEEXLDRE-RTBURBONSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCCC1)[NH+](C)C ZINC001099241356 1363709830 /nfs/dbraw/zinc/70/98/30/1363709830.db2.gz ZHLMIKOBHOWSLG-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310906 1363743771 /nfs/dbraw/zinc/74/37/71/1363743771.db2.gz VTWKPJPEPLGDDW-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099353622 1363768128 /nfs/dbraw/zinc/76/81/28/1363768128.db2.gz DPWRKUCQBXPZMU-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001099484396 1363814992 /nfs/dbraw/zinc/81/49/92/1363814992.db2.gz PKBGWARRESWPKQ-CUWPLCDZSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001100383204 1364097632 /nfs/dbraw/zinc/09/76/32/1364097632.db2.gz PQIYCWIWJJJVGY-SOAGJPPSSA-N 2 1 349.563 3.316 20 0 EGADMP CCCCCC[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001100405876 1364104039 /nfs/dbraw/zinc/10/40/39/1364104039.db2.gz QNVJPTSALDYGEP-ACBHZAAOSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100407023 1364104181 /nfs/dbraw/zinc/10/41/81/1364104181.db2.gz UWORDPGVJVPCNC-DAWZGUTISA-N 2 1 337.552 3.170 20 0 EGADMP CC(C)CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001100471100 1364126640 /nfs/dbraw/zinc/12/66/40/1364126640.db2.gz OVWBHLQMBXCAFE-ACBHZAAOSA-N 2 1 337.552 3.027 20 0 EGADMP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001100470812 1364126906 /nfs/dbraw/zinc/12/69/06/1364126906.db2.gz CCKZXNMVQRLYAH-ACBHZAAOSA-N 2 1 337.552 3.027 20 0 EGADMP CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001100601969 1364184581 /nfs/dbraw/zinc/18/45/81/1364184581.db2.gz MJBIGZIUTHNGEZ-TVPLGVNVSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)(C)CCC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001100680880 1364215759 /nfs/dbraw/zinc/21/57/59/1364215759.db2.gz JWTMQITUPDENPQ-UHFFFAOYSA-N 2 1 337.552 3.029 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101382390 1364538489 /nfs/dbraw/zinc/53/84/89/1364538489.db2.gz FISGSKFOVQKNKQ-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCC3CCCCC3)C[C@@]2(C)C1 ZINC001101418551 1364553599 /nfs/dbraw/zinc/55/35/99/1364553599.db2.gz XBKQSAGLPXDDOB-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCC3CCCCC3)C[C@@]2(C)C1 ZINC001101418551 1364553601 /nfs/dbraw/zinc/55/36/01/1364553601.db2.gz XBKQSAGLPXDDOB-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CCC3CCCCC3)C[C@@]2(C)C1 ZINC001101418551 1364553602 /nfs/dbraw/zinc/55/36/02/1364553602.db2.gz XBKQSAGLPXDDOB-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001101540509 1364606771 /nfs/dbraw/zinc/60/67/71/1364606771.db2.gz HGHUVOJOWHBAIQ-GOSISDBHSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001101550410 1364613397 /nfs/dbraw/zinc/61/33/97/1364613397.db2.gz HKACKCCZBISQDY-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC(C(C)(C)C[NH2+]CCC(C)C)CC1 ZINC001101595749 1364645923 /nfs/dbraw/zinc/64/59/23/1364645923.db2.gz RAMSIWWKCXIBJP-UHFFFAOYSA-N 2 1 348.535 3.092 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101597722 1364648718 /nfs/dbraw/zinc/64/87/18/1364648718.db2.gz YWHYUTZQRNZINN-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102045088 1364821464 /nfs/dbraw/zinc/82/14/64/1364821464.db2.gz REENEFUKUAMUFJ-AHSYYPKJSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102045088 1364821468 /nfs/dbraw/zinc/82/14/68/1364821468.db2.gz REENEFUKUAMUFJ-AHSYYPKJSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001102045088 1364821471 /nfs/dbraw/zinc/82/14/71/1364821471.db2.gz REENEFUKUAMUFJ-AHSYYPKJSA-N 2 1 349.563 3.290 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+]2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)c1 ZINC001102294296 1364988253 /nfs/dbraw/zinc/98/82/53/1364988253.db2.gz RNMAXEATQFDPFN-WSTZPKSXSA-N 2 1 345.531 3.082 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001102419448 1365045948 /nfs/dbraw/zinc/04/59/48/1365045948.db2.gz FWQVZOJKESBIEE-IAGOWNOFSA-N 2 1 348.535 3.127 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001102419448 1365045949 /nfs/dbraw/zinc/04/59/49/1365045949.db2.gz FWQVZOJKESBIEE-IAGOWNOFSA-N 2 1 348.535 3.127 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596581 1365130620 /nfs/dbraw/zinc/13/06/20/1365130620.db2.gz NDSVSOBJSKPQAN-SBUVDCAVSA-N 2 1 349.563 3.293 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102601851 1365131357 /nfs/dbraw/zinc/13/13/57/1365131357.db2.gz SOGAKYCGOHNZAL-AHSYYPKJSA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001103005073 1365334283 /nfs/dbraw/zinc/33/42/83/1365334283.db2.gz OFHXOEPBWNCGAT-YTWUFAMPSA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001103005073 1365334286 /nfs/dbraw/zinc/33/42/86/1365334286.db2.gz OFHXOEPBWNCGAT-YTWUFAMPSA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001103005073 1365334290 /nfs/dbraw/zinc/33/42/90/1365334290.db2.gz OFHXOEPBWNCGAT-YTWUFAMPSA-N 2 1 349.563 3.147 20 0 EGADMP C[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001103495531 1365597417 /nfs/dbraw/zinc/59/74/17/1365597417.db2.gz GSJKSRRINOJYRB-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CC1CCCCCC1 ZINC001104000203 1365868037 /nfs/dbraw/zinc/86/80/37/1365868037.db2.gz YYTGLCJQWHKLNT-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001185723575 1387785264 /nfs/dbraw/zinc/78/52/64/1387785264.db2.gz OEZSUZTWKCPMEC-ZWKOTPCHSA-N 2 1 345.531 3.224 20 0 EGADMP CCCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105517816 1366504932 /nfs/dbraw/zinc/50/49/32/1366504932.db2.gz KIEURNBPEQWQMR-RBUKOAKNSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[N@@H+](C)CC)CCC1 ZINC001105572319 1366538572 /nfs/dbraw/zinc/53/85/72/1366538572.db2.gz OGDMUGUCSRDRQO-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CC(C)C)CCC1 ZINC001105574988 1366539866 /nfs/dbraw/zinc/53/98/66/1366539866.db2.gz OGXTYCINZZWQST-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCCC2CCC2)[C@H](C)C1 ZINC001106119511 1366612627 /nfs/dbraw/zinc/61/26/27/1366612627.db2.gz CFDBRYDAVSOUGB-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106673375 1366770499 /nfs/dbraw/zinc/77/04/99/1366770499.db2.gz XAPYDJDPKOUBIA-MHEJJFAZSA-N 2 1 337.552 3.005 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328989 1366929960 /nfs/dbraw/zinc/92/99/60/1366929960.db2.gz DQGDUVVVZNZROQ-NLWGTHIKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107328989 1366929968 /nfs/dbraw/zinc/92/99/68/1366929968.db2.gz DQGDUVVVZNZROQ-NLWGTHIKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107328989 1366929975 /nfs/dbraw/zinc/92/99/75/1366929975.db2.gz DQGDUVVVZNZROQ-NLWGTHIKSA-N 2 1 335.536 3.022 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107450530 1366968288 /nfs/dbraw/zinc/96/82/88/1366968288.db2.gz KHUJBOVAEVUDEP-LGVOAYDWSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001107450530 1366968290 /nfs/dbraw/zinc/96/82/90/1366968290.db2.gz KHUJBOVAEVUDEP-LGVOAYDWSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001107450530 1366968293 /nfs/dbraw/zinc/96/82/93/1366968293.db2.gz KHUJBOVAEVUDEP-LGVOAYDWSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189312943 1366986220 /nfs/dbraw/zinc/98/62/20/1366986220.db2.gz YYUAQYANRHUBHD-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107534004 1367024610 /nfs/dbraw/zinc/02/46/10/1367024610.db2.gz RQKVTZHMNYXBGG-BWPKTWLJSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546461 1367037869 /nfs/dbraw/zinc/03/78/69/1367037869.db2.gz DHVOJGADTJMQBZ-BAPOODPFSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546461 1367037874 /nfs/dbraw/zinc/03/78/74/1367037874.db2.gz DHVOJGADTJMQBZ-BAPOODPFSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546461 1367037877 /nfs/dbraw/zinc/03/78/77/1367037877.db2.gz DHVOJGADTJMQBZ-BAPOODPFSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107554106 1367039948 /nfs/dbraw/zinc/03/99/48/1367039948.db2.gz ZOYWNQBURGMSDC-PCAREKGMSA-N 2 1 349.563 3.434 20 0 EGADMP CC1CC(C[N@H+]2CC[C@@]3(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]23)C1 ZINC001107614245 1367073236 /nfs/dbraw/zinc/07/32/36/1367073236.db2.gz ZOYIGCPPWOLDOM-SDVBZNEUSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643449 1367089662 /nfs/dbraw/zinc/08/96/62/1367089662.db2.gz JKBGCTSHIOBSQD-TZIWHRDSSA-N 2 1 347.547 3.189 20 0 EGADMP O=C(CCC[NH+]1CCCC1)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2 ZINC001107643895 1367089817 /nfs/dbraw/zinc/08/98/17/1367089817.db2.gz XJYVRAYARNRWSR-TZIWHRDSSA-N 2 1 347.547 3.023 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646624 1367092304 /nfs/dbraw/zinc/09/23/04/1367092304.db2.gz NBNWBYAKSZQELX-UYAOXDASSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646624 1367092310 /nfs/dbraw/zinc/09/23/10/1367092310.db2.gz NBNWBYAKSZQELX-UYAOXDASSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646624 1367092312 /nfs/dbraw/zinc/09/23/12/1367092312.db2.gz NBNWBYAKSZQELX-UYAOXDASSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109399852 1367103862 /nfs/dbraw/zinc/10/38/62/1367103862.db2.gz ZMAQAPRFWAKRRK-CFXMGXPISA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109399852 1367103864 /nfs/dbraw/zinc/10/38/64/1367103864.db2.gz ZMAQAPRFWAKRRK-CFXMGXPISA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001109399852 1367103866 /nfs/dbraw/zinc/10/38/66/1367103866.db2.gz ZMAQAPRFWAKRRK-CFXMGXPISA-N 2 1 347.547 3.327 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109399289 1367104319 /nfs/dbraw/zinc/10/43/19/1367104319.db2.gz FIOQIDROPZNHST-YRXWBPOGSA-N 2 1 335.536 3.161 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109399289 1367104322 /nfs/dbraw/zinc/10/43/22/1367104322.db2.gz FIOQIDROPZNHST-YRXWBPOGSA-N 2 1 335.536 3.161 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001109399289 1367104324 /nfs/dbraw/zinc/10/43/24/1367104324.db2.gz FIOQIDROPZNHST-YRXWBPOGSA-N 2 1 335.536 3.161 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1)[NH+](C)C ZINC001109428257 1367115718 /nfs/dbraw/zinc/11/57/18/1367115718.db2.gz WIZQCDSOGKMFCY-FYQPLNBISA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC2(CC2)CC1)[NH+](C)C ZINC001109447629 1367127168 /nfs/dbraw/zinc/12/71/68/1367127168.db2.gz XRIWTWSSOQBWTM-HCXYKTFWSA-N 2 1 347.547 3.019 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190178931 1367192141 /nfs/dbraw/zinc/19/21/41/1367192141.db2.gz XUYXEWOXZZKREJ-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190178931 1367192143 /nfs/dbraw/zinc/19/21/43/1367192143.db2.gz XUYXEWOXZZKREJ-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190178931 1367192145 /nfs/dbraw/zinc/19/21/45/1367192145.db2.gz XUYXEWOXZZKREJ-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190324261 1367227023 /nfs/dbraw/zinc/22/70/23/1367227023.db2.gz JLRRYHCNASGIKR-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109719940 1367292071 /nfs/dbraw/zinc/29/20/71/1367292071.db2.gz SEQUMPWVIFARFY-CNGCZUSVSA-N 2 1 347.547 3.186 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001109719940 1367292074 /nfs/dbraw/zinc/29/20/74/1367292074.db2.gz SEQUMPWVIFARFY-CNGCZUSVSA-N 2 1 347.547 3.186 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001109719940 1367292079 /nfs/dbraw/zinc/29/20/79/1367292079.db2.gz SEQUMPWVIFARFY-CNGCZUSVSA-N 2 1 347.547 3.186 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1)[NH+](C)C ZINC001109733489 1367295001 /nfs/dbraw/zinc/29/50/01/1367295001.db2.gz RAHLHTMPSKZJBM-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109868361 1367370704 /nfs/dbraw/zinc/37/07/04/1367370704.db2.gz MWOBADSPNFSJRQ-FYQPLNBISA-N 2 1 343.515 3.201 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082279 1367420342 /nfs/dbraw/zinc/42/03/42/1367420342.db2.gz WAEXDWNLFTWJBZ-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191082279 1367420343 /nfs/dbraw/zinc/42/03/43/1367420343.db2.gz WAEXDWNLFTWJBZ-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191082279 1367420347 /nfs/dbraw/zinc/42/03/47/1367420347.db2.gz WAEXDWNLFTWJBZ-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082213 1367420488 /nfs/dbraw/zinc/42/04/88/1367420488.db2.gz WAEXDWNLFTWJBZ-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191082213 1367420493 /nfs/dbraw/zinc/42/04/93/1367420493.db2.gz WAEXDWNLFTWJBZ-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191082213 1367420495 /nfs/dbraw/zinc/42/04/95/1367420495.db2.gz WAEXDWNLFTWJBZ-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109968001 1367433458 /nfs/dbraw/zinc/43/34/58/1367433458.db2.gz VGOXZDSAECMHPQ-FUMNGEBKSA-N 2 1 343.515 3.201 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)CC)C2 ZINC001109968001 1367433461 /nfs/dbraw/zinc/43/34/61/1367433461.db2.gz VGOXZDSAECMHPQ-FUMNGEBKSA-N 2 1 343.515 3.201 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001109968001 1367433465 /nfs/dbraw/zinc/43/34/65/1367433465.db2.gz VGOXZDSAECMHPQ-FUMNGEBKSA-N 2 1 343.515 3.201 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001109968001 1367433467 /nfs/dbraw/zinc/43/34/67/1367433467.db2.gz VGOXZDSAECMHPQ-FUMNGEBKSA-N 2 1 343.515 3.201 20 0 EGADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001191223779 1367450255 /nfs/dbraw/zinc/45/02/55/1367450255.db2.gz PYHZQOBHIDUDNS-UXHICEINSA-N 2 1 338.511 3.416 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191560261 1367527679 /nfs/dbraw/zinc/52/76/79/1367527679.db2.gz CJUZRPPTVJXVMM-MJRGOJFPSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001110158697 1367530509 /nfs/dbraw/zinc/53/05/09/1367530509.db2.gz UKQVQUPLQXIACA-ZVFVRTEYSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001110158697 1367530512 /nfs/dbraw/zinc/53/05/12/1367530512.db2.gz UKQVQUPLQXIACA-ZVFVRTEYSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001110158697 1367530515 /nfs/dbraw/zinc/53/05/15/1367530515.db2.gz UKQVQUPLQXIACA-ZVFVRTEYSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)CC[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001192158282 1367703932 /nfs/dbraw/zinc/70/39/32/1367703932.db2.gz LDLRLSQPAPROFZ-VQTJNVASSA-N 2 1 345.531 3.306 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192848887 1367887293 /nfs/dbraw/zinc/88/72/93/1367887293.db2.gz YFUMCLBDQFQSAI-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110660553 1367903066 /nfs/dbraw/zinc/90/30/66/1367903066.db2.gz FIOQIDROPZNHST-MKXGPGLRSA-N 2 1 335.536 3.161 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110660553 1367903068 /nfs/dbraw/zinc/90/30/68/1367903068.db2.gz FIOQIDROPZNHST-MKXGPGLRSA-N 2 1 335.536 3.161 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001110660553 1367903072 /nfs/dbraw/zinc/90/30/72/1367903072.db2.gz FIOQIDROPZNHST-MKXGPGLRSA-N 2 1 335.536 3.161 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CC1 ZINC001110748532 1367958676 /nfs/dbraw/zinc/95/86/76/1367958676.db2.gz IDVRHSMRZWOOTF-QRVBRYPASA-N 2 1 347.547 3.161 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1 ZINC001110748532 1367958681 /nfs/dbraw/zinc/95/86/81/1367958681.db2.gz IDVRHSMRZWOOTF-QRVBRYPASA-N 2 1 347.547 3.161 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001110748532 1367958684 /nfs/dbraw/zinc/95/86/84/1367958684.db2.gz IDVRHSMRZWOOTF-QRVBRYPASA-N 2 1 347.547 3.161 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC1 ZINC001110748456 1367958937 /nfs/dbraw/zinc/95/89/37/1367958937.db2.gz DYIIXBWZVFSAAU-QRVBRYPASA-N 2 1 347.547 3.161 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1 ZINC001110748456 1367958940 /nfs/dbraw/zinc/95/89/40/1367958940.db2.gz DYIIXBWZVFSAAU-QRVBRYPASA-N 2 1 347.547 3.161 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001110748456 1367958943 /nfs/dbraw/zinc/95/89/43/1367958943.db2.gz DYIIXBWZVFSAAU-QRVBRYPASA-N 2 1 347.547 3.161 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC2CCC(C)(C)CC2)C1 ZINC001193290813 1367990890 /nfs/dbraw/zinc/99/08/90/1367990890.db2.gz FFMFODRPONCFQJ-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC2CCC(C)(C)CC2)C1 ZINC001193290813 1367990895 /nfs/dbraw/zinc/99/08/95/1367990895.db2.gz FFMFODRPONCFQJ-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC2CCC(C)(C)CC2)C1 ZINC001193290813 1367990901 /nfs/dbraw/zinc/99/09/01/1367990901.db2.gz FFMFODRPONCFQJ-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408133 1368020129 /nfs/dbraw/zinc/02/01/29/1368020129.db2.gz DRVREWJIEBUXON-CTNGQTDRSA-N 2 1 345.531 3.186 20 0 EGADMP CCc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cc1 ZINC001193560336 1368060721 /nfs/dbraw/zinc/06/07/21/1368060721.db2.gz QPBSRRAZHYUSAO-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC(C)(C)CC1 ZINC001110958981 1368124404 /nfs/dbraw/zinc/12/44/04/1368124404.db2.gz CNKQVIFRSDDHAA-QRVBRYPASA-N 2 1 349.563 3.266 20 0 EGADMP COC(=O)[C@@H]1CCCC[C@@H]1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC001193872445 1368135568 /nfs/dbraw/zinc/13/55/68/1368135568.db2.gz NPUVOHCAQZRFSX-SJLPKXTDSA-N 2 1 346.471 3.213 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1)[NH+](CC)CC ZINC001111018370 1368143627 /nfs/dbraw/zinc/14/36/27/1368143627.db2.gz RZGDKOJZHRVXDD-WTGUMLROSA-N 2 1 349.563 3.409 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164279 1368174404 /nfs/dbraw/zinc/17/44/04/1368174404.db2.gz RDDVVULRSWWCEH-GMQMTFFASA-N 2 1 349.563 3.431 20 0 EGADMP C[N@@H+](CCC1=CCCCC1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228066 1368213000 /nfs/dbraw/zinc/21/30/00/1368213000.db2.gz PJQOYPFRDZKGHJ-HXUWFJFHSA-N 2 1 347.547 3.286 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227687 1368213086 /nfs/dbraw/zinc/21/30/86/1368213086.db2.gz LVWIMBARVMOLDF-HXUWFJFHSA-N 2 1 345.531 3.331 20 0 EGADMP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274451 1368221170 /nfs/dbraw/zinc/22/11/70/1368221170.db2.gz IAYRJHYAUOGICL-GLCUZYPYSA-N 2 1 343.515 3.178 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274451 1368221173 /nfs/dbraw/zinc/22/11/73/1368221173.db2.gz IAYRJHYAUOGICL-GLCUZYPYSA-N 2 1 343.515 3.178 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001194275371 1368222815 /nfs/dbraw/zinc/22/28/15/1368222815.db2.gz SAVODAOCCNEZHE-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cccnc2N(C)C)CC1 ZINC001325309407 1387931053 /nfs/dbraw/zinc/93/10/53/1387931053.db2.gz MGNPIALBMNFXBD-QGZVFWFLSA-N 2 1 338.499 3.463 20 0 EGADMP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001111467544 1368310908 /nfs/dbraw/zinc/31/09/08/1368310908.db2.gz NOFAUZBCIVRAQG-YSTOQKLRSA-N 2 1 343.515 3.201 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001111467544 1368310909 /nfs/dbraw/zinc/31/09/09/1368310909.db2.gz NOFAUZBCIVRAQG-YSTOQKLRSA-N 2 1 343.515 3.201 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC2(CC2)CC1 ZINC001111466355 1368311269 /nfs/dbraw/zinc/31/12/69/1368311269.db2.gz RYQHHKSCQLTDKM-QRVBRYPASA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC2(CC2)CC1 ZINC001111466355 1368311274 /nfs/dbraw/zinc/31/12/74/1368311274.db2.gz RYQHHKSCQLTDKM-QRVBRYPASA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC2(CC2)CC1 ZINC001111466355 1368311280 /nfs/dbraw/zinc/31/12/80/1368311280.db2.gz RYQHHKSCQLTDKM-QRVBRYPASA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1)[NH+]1CCCCC1 ZINC001111467779 1368313563 /nfs/dbraw/zinc/31/35/63/1368313563.db2.gz VRDHSFBKZADOLB-YSTOQKLRSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494543 1368321435 /nfs/dbraw/zinc/32/14/35/1368321435.db2.gz VTGIGOHMVBEDTP-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001111816972 1368479761 /nfs/dbraw/zinc/47/97/61/1368479761.db2.gz HGEHHKPZTLLITM-RXVVDRJESA-N 2 1 349.563 3.269 20 0 EGADMP CCc1nccn1[C@@H](C)CC(=O)N1CCC[N@@H+](CCCC(C)C)CC1 ZINC001195901331 1368512423 /nfs/dbraw/zinc/51/24/23/1368512423.db2.gz YZVOKLBJBMBFQX-SFHVURJKSA-N 2 1 348.535 3.367 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[N@H+](CCCC(C)C)CC1 ZINC001195901331 1368512426 /nfs/dbraw/zinc/51/24/26/1368512426.db2.gz YZVOKLBJBMBFQX-SFHVURJKSA-N 2 1 348.535 3.367 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[N@@H+](CCCC(C)C)CC1 ZINC001195901331 1368512431 /nfs/dbraw/zinc/51/24/31/1368512431.db2.gz YZVOKLBJBMBFQX-SFHVURJKSA-N 2 1 348.535 3.367 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196155158 1368559012 /nfs/dbraw/zinc/55/90/12/1368559012.db2.gz LWXVSNULKADCDD-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001196155158 1368559015 /nfs/dbraw/zinc/55/90/15/1368559015.db2.gz LWXVSNULKADCDD-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001196155158 1368559019 /nfs/dbraw/zinc/55/90/19/1368559019.db2.gz LWXVSNULKADCDD-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196163661 1368560330 /nfs/dbraw/zinc/56/03/30/1368560330.db2.gz RJPAPBFNGGZEAO-HZQHCPKGSA-N 2 1 347.547 3.284 20 0 EGADMP CC/C=C\CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001196163661 1368560334 /nfs/dbraw/zinc/56/03/34/1368560334.db2.gz RJPAPBFNGGZEAO-HZQHCPKGSA-N 2 1 347.547 3.284 20 0 EGADMP CC/C=C\CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001196163661 1368560342 /nfs/dbraw/zinc/56/03/42/1368560342.db2.gz RJPAPBFNGGZEAO-HZQHCPKGSA-N 2 1 347.547 3.284 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111951009 1368571169 /nfs/dbraw/zinc/57/11/69/1368571169.db2.gz NXUJWVNHWXAJCR-ICSRJNTNSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CCC)C1 ZINC001111951009 1368571173 /nfs/dbraw/zinc/57/11/73/1368571173.db2.gz NXUJWVNHWXAJCR-ICSRJNTNSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001111951009 1368571175 /nfs/dbraw/zinc/57/11/75/1368571175.db2.gz NXUJWVNHWXAJCR-ICSRJNTNSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC(C)(C)C)C2 ZINC001111952384 1368572699 /nfs/dbraw/zinc/57/26/99/1368572699.db2.gz FTDITQGGXDEARD-PXNSSMCTSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC(C)(C)C)C2 ZINC001111952384 1368572701 /nfs/dbraw/zinc/57/27/01/1368572701.db2.gz FTDITQGGXDEARD-PXNSSMCTSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC(C)(C)C)C2 ZINC001111952384 1368572705 /nfs/dbraw/zinc/57/27/05/1368572705.db2.gz FTDITQGGXDEARD-PXNSSMCTSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001111959064 1368574547 /nfs/dbraw/zinc/57/45/47/1368574547.db2.gz ZYXOSDMHIHCTIM-JBACZVJFSA-N 2 1 347.547 3.023 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001111959064 1368574549 /nfs/dbraw/zinc/57/45/49/1368574549.db2.gz ZYXOSDMHIHCTIM-JBACZVJFSA-N 2 1 347.547 3.023 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001111959064 1368574552 /nfs/dbraw/zinc/57/45/52/1368574552.db2.gz ZYXOSDMHIHCTIM-JBACZVJFSA-N 2 1 347.547 3.023 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001196275134 1368581785 /nfs/dbraw/zinc/58/17/85/1368581785.db2.gz GRTROXGQJBGRHT-PSCPARJHSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+](CC2CCC(C)CC2)CC1 ZINC001196341063 1368592977 /nfs/dbraw/zinc/59/29/77/1368592977.db2.gz LTBAHWGEAFUFSI-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+](CC2CCC(C)CC2)CC1 ZINC001196341063 1368592979 /nfs/dbraw/zinc/59/29/79/1368592979.db2.gz LTBAHWGEAFUFSI-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001196382645 1368602930 /nfs/dbraw/zinc/60/29/30/1368602930.db2.gz RBSDMCHGZJIVNB-SNAWJCMRSA-N 2 1 340.471 3.147 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112004134 1368607741 /nfs/dbraw/zinc/60/77/41/1368607741.db2.gz MDPGGKZFAAAQIH-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112006234 1368608534 /nfs/dbraw/zinc/60/85/34/1368608534.db2.gz PDTUGBZXSHVSQN-FPOVZHCZSA-N 2 1 349.563 3.413 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196641329 1368654166 /nfs/dbraw/zinc/65/41/66/1368654166.db2.gz AORWXNWJWNQCQX-AATRIKPKSA-N 2 1 349.563 3.389 20 0 EGADMP C[C@H]1CCC[C@@H](CC[N@H+]2CCCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001196962914 1368721707 /nfs/dbraw/zinc/72/17/07/1368721707.db2.gz LDPOTGWDOJPHLN-OALUTQOASA-N 2 1 337.552 3.079 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CCCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001196962913 1368721962 /nfs/dbraw/zinc/72/19/62/1368721962.db2.gz LDPOTGWDOJPHLN-MOPGFXCFSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001112396990 1368822395 /nfs/dbraw/zinc/82/23/95/1368822395.db2.gz NPVKHOYHKWECDM-CUWPLCDZSA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@@H](C)c2cc(C)ccc2C)CC1 ZINC001197708128 1368877494 /nfs/dbraw/zinc/87/74/94/1368877494.db2.gz WSEUGNNARUBUBL-IBGZPJMESA-N 2 1 345.531 3.241 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@@H](C)c2cc(C)ccc2C)CC1 ZINC001197708128 1368877498 /nfs/dbraw/zinc/87/74/98/1368877498.db2.gz WSEUGNNARUBUBL-IBGZPJMESA-N 2 1 345.531 3.241 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[N@H+]([C@@H](C)c2cc(C)ccc2C)CC1 ZINC001197708128 1368877503 /nfs/dbraw/zinc/87/75/03/1368877503.db2.gz WSEUGNNARUBUBL-IBGZPJMESA-N 2 1 345.531 3.241 20 0 EGADMP CCCc1ccc(C[N@H+]2CCCN(C(=O)CC[NH+](C)CC)CC2)cc1 ZINC001197707937 1368877612 /nfs/dbraw/zinc/87/76/12/1368877612.db2.gz SAHVPVZMAHCZNQ-UHFFFAOYSA-N 2 1 345.531 3.015 20 0 EGADMP CCCc1ccc(C[NH+]2CCCN(C(=O)CC[N@H+](C)CC)CC2)cc1 ZINC001197707937 1368877616 /nfs/dbraw/zinc/87/76/16/1368877616.db2.gz SAHVPVZMAHCZNQ-UHFFFAOYSA-N 2 1 345.531 3.015 20 0 EGADMP CCCc1ccc(C[NH+]2CCCN(C(=O)CC[N@@H+](C)CC)CC2)cc1 ZINC001197707937 1368877617 /nfs/dbraw/zinc/87/76/17/1368877617.db2.gz SAHVPVZMAHCZNQ-UHFFFAOYSA-N 2 1 345.531 3.015 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001197768237 1368892861 /nfs/dbraw/zinc/89/28/61/1368892861.db2.gz KPBFSWAWHKIDEU-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001197817011 1368905323 /nfs/dbraw/zinc/90/53/23/1368905323.db2.gz CPXULZFMYGZEAK-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197879979 1368918780 /nfs/dbraw/zinc/91/87/80/1368918780.db2.gz PVRCHCHVADBRPC-HXUWFJFHSA-N 2 1 345.531 3.404 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001197885944 1368920126 /nfs/dbraw/zinc/92/01/26/1368920126.db2.gz LFCBQLCRFZBIQS-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCC(CC)C[N@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198136486 1368966643 /nfs/dbraw/zinc/96/66/43/1368966643.db2.gz SFBCXIWDESMJJL-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001198337025 1369011215 /nfs/dbraw/zinc/01/12/15/1369011215.db2.gz IUDFKWAAAXBVCQ-UHFFFAOYSA-N 2 1 349.519 3.460 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001112864799 1369055686 /nfs/dbraw/zinc/05/56/86/1369055686.db2.gz DAPIBOPJMQVRQU-MSOLQXFVSA-N 2 1 348.535 3.223 20 0 EGADMP CCCCCC[NH+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001112864904 1369056634 /nfs/dbraw/zinc/05/66/34/1369056634.db2.gz IXONNJFTRYLYFL-KRWDZBQOSA-N 2 1 334.508 3.121 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[NH+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001113032671 1369153852 /nfs/dbraw/zinc/15/38/52/1369153852.db2.gz AQEGQWWQCAVVAV-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CC/C=C/CC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001113252527 1369293176 /nfs/dbraw/zinc/29/31/76/1369293176.db2.gz VBBYLPDFQXLACN-YADGQWAMSA-N 2 1 347.547 3.284 20 0 EGADMP CC/C=C/CC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001113252527 1369293180 /nfs/dbraw/zinc/29/31/80/1369293180.db2.gz VBBYLPDFQXLACN-YADGQWAMSA-N 2 1 347.547 3.284 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001113402992 1369400920 /nfs/dbraw/zinc/40/09/20/1369400920.db2.gz NQMYCIHXLQCJLS-RURPWVQCSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001113402992 1369400923 /nfs/dbraw/zinc/40/09/23/1369400923.db2.gz NQMYCIHXLQCJLS-RURPWVQCSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)CCC[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001201043624 1369470784 /nfs/dbraw/zinc/47/07/84/1369470784.db2.gz FAVHMTYEVBINLH-LJQANCHMSA-N 2 1 337.552 3.266 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001201044163 1369470837 /nfs/dbraw/zinc/47/08/37/1369470837.db2.gz QVHJTZXFOWBPAY-GHOSXJJBSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001201044175 1369470913 /nfs/dbraw/zinc/47/09/13/1369470913.db2.gz QVHJTZXFOWBPAY-OVKVCFKUSA-N 2 1 349.563 3.291 20 0 EGADMP CCC(CC)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201052390 1369472511 /nfs/dbraw/zinc/47/25/11/1369472511.db2.gz DVDRPEZIRUPNJK-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001201230997 1369500888 /nfs/dbraw/zinc/50/08/88/1369500888.db2.gz YTQNRWJJNGIROJ-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001201314181 1369516530 /nfs/dbraw/zinc/51/65/30/1369516530.db2.gz PCPYZWIJBAHIFI-UHFFFAOYSA-N 2 1 345.531 3.114 20 0 EGADMP CC[C@H]([NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1)c1ccccc1 ZINC001201314194 1369516618 /nfs/dbraw/zinc/51/66/18/1369516618.db2.gz PIWAWRMJZMGURA-IBGZPJMESA-N 2 1 345.531 3.449 20 0 EGADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](CC3CCCCC3)CC[C@@H]21 ZINC001201392607 1369535516 /nfs/dbraw/zinc/53/55/16/1369535516.db2.gz CDISVJAWLJVXTM-AABGKKOBSA-N 2 1 345.535 3.032 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]21 ZINC001201392607 1369535518 /nfs/dbraw/zinc/53/55/18/1369535518.db2.gz CDISVJAWLJVXTM-AABGKKOBSA-N 2 1 345.535 3.032 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]21 ZINC001201392607 1369535520 /nfs/dbraw/zinc/53/55/20/1369535520.db2.gz CDISVJAWLJVXTM-AABGKKOBSA-N 2 1 345.535 3.032 20 0 EGADMP CC(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001202156841 1369703285 /nfs/dbraw/zinc/70/32/85/1369703285.db2.gz LXZFCPYRWOIBCF-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CCC1(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)COC1 ZINC001202935880 1369930406 /nfs/dbraw/zinc/93/04/06/1369930406.db2.gz GXFHVGNXYPLBBG-SFHVURJKSA-N 2 1 332.488 3.383 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203035546 1369962213 /nfs/dbraw/zinc/96/22/13/1369962213.db2.gz CCGVXFXCJDFPON-YSKLNCTFSA-N 2 1 347.547 3.234 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC2CCC2)C12CCC2)C1CCC1 ZINC001203044560 1369965331 /nfs/dbraw/zinc/96/53/31/1369965331.db2.gz MHCXGGAFSXZOJO-RBUKOAKNSA-N 2 1 347.547 3.068 20 0 EGADMP CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203105359 1369985399 /nfs/dbraw/zinc/98/53/99/1369985399.db2.gz XHOZBQMIZTUDLE-IAGOWNOFSA-N 2 1 337.552 3.314 20 0 EGADMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1)[NH+](CC)CC ZINC001325760698 1388042252 /nfs/dbraw/zinc/04/22/52/1388042252.db2.gz GORAECDMMZXINU-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]CC/C=C\c2ccccc2)CC1 ZINC001203208912 1370025002 /nfs/dbraw/zinc/02/50/02/1370025002.db2.gz NXHHALSTGJEMSQ-XFFZJAGNSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001203443343 1370128806 /nfs/dbraw/zinc/12/88/06/1370128806.db2.gz SIIZREDRCLRXCB-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203453025 1370132141 /nfs/dbraw/zinc/13/21/41/1370132141.db2.gz QQSAOAGOHZPFBH-IRXDYDNUSA-N 2 1 346.519 3.070 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203577003 1370176393 /nfs/dbraw/zinc/17/63/93/1370176393.db2.gz MNLKDJRPKFEYHF-YQJUVHNHSA-N 2 1 335.536 3.092 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)C)C12CCC2 ZINC001203641218 1370198311 /nfs/dbraw/zinc/19/83/11/1370198311.db2.gz PMVUQKYQQZNMCO-ROUUACIJSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203652548 1370202196 /nfs/dbraw/zinc/20/21/96/1370202196.db2.gz VMPOCZCWJQYDTD-RTBURBONSA-N 2 1 347.547 3.236 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCC(C)C)C[C@H]21 ZINC001115102974 1370281263 /nfs/dbraw/zinc/28/12/63/1370281263.db2.gz BMAYEQGAJBIYPO-ZGXWSNOMSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)C)C[C@H]21 ZINC001115102974 1370281264 /nfs/dbraw/zinc/28/12/64/1370281264.db2.gz BMAYEQGAJBIYPO-ZGXWSNOMSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)C)C[C@H]21 ZINC001115102974 1370281265 /nfs/dbraw/zinc/28/12/65/1370281265.db2.gz BMAYEQGAJBIYPO-ZGXWSNOMSA-N 2 1 349.563 3.124 20 0 EGADMP Fc1cccc(F)c1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001204202610 1370406816 /nfs/dbraw/zinc/40/68/16/1370406816.db2.gz JCQQOWXFTGKHHD-UHFFFAOYSA-N 2 1 338.442 3.289 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2=CCCCC2)CCCCC1 ZINC001115450566 1370458409 /nfs/dbraw/zinc/45/84/09/1370458409.db2.gz FZUPNKOHCRSWMD-IBGZPJMESA-N 2 1 347.547 3.380 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)CC1 ZINC001204714454 1370552173 /nfs/dbraw/zinc/55/21/73/1370552173.db2.gz RIYSVLNCCPAXBR-LJQANCHMSA-N 2 1 326.488 3.442 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC4(CC[NH2+]CC4)C3)C2)cc1 ZINC001204727853 1370556610 /nfs/dbraw/zinc/55/66/10/1370556610.db2.gz SCCUTUMOYSGQCZ-OAQYLSRUSA-N 3 1 341.543 3.364 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)C2)cc1 ZINC001204727853 1370556614 /nfs/dbraw/zinc/55/66/14/1370556614.db2.gz SCCUTUMOYSGQCZ-OAQYLSRUSA-N 3 1 341.543 3.364 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC4(CC[NH2+]CC4)C3)C2)cc1 ZINC001204727853 1370556624 /nfs/dbraw/zinc/55/66/24/1370556624.db2.gz SCCUTUMOYSGQCZ-OAQYLSRUSA-N 2 1 341.543 3.364 20 0 EGADMP c1ccc(CN2CCC[C@@H](C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)C2)cc1 ZINC001204727853 1370556629 /nfs/dbraw/zinc/55/66/29/1370556629.db2.gz SCCUTUMOYSGQCZ-OAQYLSRUSA-N 2 1 341.543 3.364 20 0 EGADMP c1ccc(CN2CCC[C@@H](C[N@H+]3CCCC4(CC[NH2+]CC4)C3)C2)cc1 ZINC001204727853 1370556635 /nfs/dbraw/zinc/55/66/35/1370556635.db2.gz SCCUTUMOYSGQCZ-OAQYLSRUSA-N 2 1 341.543 3.364 20 0 EGADMP Cc1cc(N2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)cc[nH+]1 ZINC001204850467 1370590412 /nfs/dbraw/zinc/59/04/12/1370590412.db2.gz LFBPHBDKLOQAQE-UHFFFAOYSA-N 2 1 333.382 3.314 20 0 EGADMP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001115591717 1370592517 /nfs/dbraw/zinc/59/25/17/1370592517.db2.gz AZTRXHHIRVZYOU-RBUKOAKNSA-N 2 1 347.547 3.212 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCCC1 ZINC001115592174 1370593073 /nfs/dbraw/zinc/59/30/73/1370593073.db2.gz XEQGCSFTSANJLM-RBUKOAKNSA-N 2 1 347.547 3.378 20 0 EGADMP CCCCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115596320 1370597254 /nfs/dbraw/zinc/59/72/54/1370597254.db2.gz ASXOTDOTJIGCRJ-SFHVURJKSA-N 2 1 337.552 3.460 20 0 EGADMP [NH3+]C[C@@H]1[C@H]2C[N@H+](Cc3c[nH]c4cc(OCc5ccccc5)ccc34)C[C@H]21 ZINC001204918566 1370605815 /nfs/dbraw/zinc/60/58/15/1370605815.db2.gz HSNRFVSNKMXGCP-MZADTFQBSA-N 2 1 347.462 3.383 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCCCC1 ZINC001115611595 1370610301 /nfs/dbraw/zinc/61/03/01/1370610301.db2.gz OMAYJOBPOJZBPC-SFHVURJKSA-N 2 1 337.552 3.172 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001115630461 1370623840 /nfs/dbraw/zinc/62/38/40/1370623840.db2.gz NOAYZZLFVFXADY-UHFFFAOYSA-N 2 1 346.519 3.036 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(O)c(OCc3ccccc3)c2)C1 ZINC001205017920 1370629631 /nfs/dbraw/zinc/62/96/31/1370629631.db2.gz PVQDLGZGPSUDGD-IBGZPJMESA-N 2 1 340.467 3.403 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(O)c(OCc3ccccc3)c2)C1 ZINC001205017920 1370629637 /nfs/dbraw/zinc/62/96/37/1370629637.db2.gz PVQDLGZGPSUDGD-IBGZPJMESA-N 2 1 340.467 3.403 20 0 EGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cnc3cc(Br)ccc3c2)CC1 ZINC001205131414 1370659184 /nfs/dbraw/zinc/65/91/84/1370659184.db2.gz YCQLILPWDCCLGS-OAHLLOKOSA-N 2 1 334.261 3.311 20 0 EGADMP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3C[C@H](C)[C@H](C[NH3+])C3)o2)cc1 ZINC001205136080 1370660172 /nfs/dbraw/zinc/66/01/72/1370660172.db2.gz LRDCNLNGKTUESN-WMLDXEAASA-N 2 1 342.439 3.150 20 0 EGADMP C[C@H]1C[N@H+](Cc2cc(F)ccc2OCc2ccccc2)C[C@H]1C[NH3+] ZINC001205146108 1370663006 /nfs/dbraw/zinc/66/30/06/1370663006.db2.gz OOXFSVBUFZXNIF-MAUKXSAKSA-N 2 1 328.431 3.431 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc(F)ccc2OCc2ccccc2)C[C@H]1C[NH3+] ZINC001205146108 1370663013 /nfs/dbraw/zinc/66/30/13/1370663013.db2.gz OOXFSVBUFZXNIF-MAUKXSAKSA-N 2 1 328.431 3.431 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccccc2Oc2ccc(F)cc2)CC1 ZINC001205221336 1370686443 /nfs/dbraw/zinc/68/64/43/1370686443.db2.gz RVOZCYXFZDYYMQ-HXUWFJFHSA-N 2 1 344.430 3.294 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC001205228068 1370687877 /nfs/dbraw/zinc/68/78/77/1370687877.db2.gz BOSLJAYRVNMJLS-FQEVSTJZSA-N 2 1 344.430 3.294 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC001205247181 1370694847 /nfs/dbraw/zinc/69/48/47/1370694847.db2.gz CKYOFNDOZZCXTH-OAQYLSRUSA-N 2 1 346.515 3.321 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205271944 1370701914 /nfs/dbraw/zinc/70/19/14/1370701914.db2.gz RNOCYOLIBYLBQC-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001205273042 1370703427 /nfs/dbraw/zinc/70/34/27/1370703427.db2.gz CREBNZQWWVHAHD-HNNXBMFYSA-N 2 1 326.366 3.285 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115729847 1370711819 /nfs/dbraw/zinc/71/18/19/1370711819.db2.gz VEQPCQMNIQMWNB-SFHVURJKSA-N 2 1 347.547 3.380 20 0 EGADMP CCCCCC[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@H]2C)CCCCC1 ZINC001115729838 1370712070 /nfs/dbraw/zinc/71/20/70/1370712070.db2.gz UVOYYKGBORVXHX-GOSISDBHSA-N 2 1 337.552 3.460 20 0 EGADMP CC/C=C/CC[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@@H]2C)CCCCC1 ZINC001115729717 1370712512 /nfs/dbraw/zinc/71/25/12/1370712512.db2.gz QFVVFABHBHBGPR-WRFKIARRSA-N 2 1 335.536 3.236 20 0 EGADMP C[N@@H+](CC(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1)CC(C)(C)C ZINC001115730512 1370713145 /nfs/dbraw/zinc/71/31/45/1370713145.db2.gz LWNSXAXPDKLDRK-DHZHZOJOSA-N 2 1 343.943 3.126 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)nc2)C[C@H]1C[NH3+] ZINC001205304306 1370714205 /nfs/dbraw/zinc/71/42/05/1370714205.db2.gz NPKILMIRNHIARH-QFBILLFUSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C[C@H]1C[NH3+] ZINC001205304306 1370714212 /nfs/dbraw/zinc/71/42/12/1370714212.db2.gz NPKILMIRNHIARH-QFBILLFUSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cccc2cc(Br)cnc21 ZINC001205332796 1370723378 /nfs/dbraw/zinc/72/33/78/1370723378.db2.gz SWSBTFOHPFZTDB-GFCCVEGCSA-N 2 1 334.261 3.181 20 0 EGADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccc2cc(Br)cnc21 ZINC001205332796 1370723383 /nfs/dbraw/zinc/72/33/83/1370723383.db2.gz SWSBTFOHPFZTDB-GFCCVEGCSA-N 2 1 334.261 3.181 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1([NH2+]CCC)CCCCC1 ZINC001115776155 1370759207 /nfs/dbraw/zinc/75/92/07/1370759207.db2.gz LLGBCQVDJMABRN-UHFFFAOYSA-N 2 1 325.541 3.317 20 0 EGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001205462174 1370763575 /nfs/dbraw/zinc/76/35/75/1370763575.db2.gz UOXXLDRZNLSNOS-FQEVSTJZSA-N 2 1 347.547 3.022 20 0 EGADMP CCC/C=C/CC[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001205483797 1370769626 /nfs/dbraw/zinc/76/96/26/1370769626.db2.gz SCFMKQLWLYASDH-RRFGBZISSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205519072 1370778824 /nfs/dbraw/zinc/77/88/24/1370778824.db2.gz UIXODRSGJGRNNU-WGLWSTOQSA-N 2 1 347.547 3.188 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCCCC1 ZINC001115806428 1370789920 /nfs/dbraw/zinc/78/99/20/1370789920.db2.gz WOJZMRSFTGXYNY-UHFFFAOYSA-N 2 1 349.494 3.076 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(OC3CCCCC3)nc2)CC1 ZINC001205569979 1370794381 /nfs/dbraw/zinc/79/43/81/1370794381.db2.gz BJVCILXRJKVDFN-LJQANCHMSA-N 2 1 335.467 3.446 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc1Br ZINC001205571350 1370795548 /nfs/dbraw/zinc/79/55/48/1370795548.db2.gz SYNZAOCNXGXJSK-HNNXBMFYSA-N 2 1 345.256 3.111 20 0 EGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205571650 1370795832 /nfs/dbraw/zinc/79/58/32/1370795832.db2.gz WVOURYPFVIOYOH-HNNXBMFYSA-N 2 1 334.357 3.367 20 0 EGADMP CCCC[NH2+]CC1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001205586159 1370801051 /nfs/dbraw/zinc/80/10/51/1370801051.db2.gz ONICTQLRVLWLJV-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205592273 1370803472 /nfs/dbraw/zinc/80/34/72/1370803472.db2.gz RKSKXDAESIUMOG-HXUWFJFHSA-N 2 1 343.446 3.410 20 0 EGADMP C[C@H]1CC[N@@H+](CCc2cccc(Br)c2)CC[C@@H]1C[NH3+] ZINC001205601634 1370806207 /nfs/dbraw/zinc/80/62/07/1370806207.db2.gz FMFRUGFSEFNTDB-DZGCQCFKSA-N 2 1 325.294 3.298 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)no2)cc1 ZINC001205602627 1370807974 /nfs/dbraw/zinc/80/79/74/1370807974.db2.gz KPBYZUYXHJSIPO-ZBFHGGJFSA-N 2 1 329.444 3.157 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2F)CC[C@@H]1C[NH3+] ZINC001205602577 1370808183 /nfs/dbraw/zinc/80/81/83/1370808183.db2.gz JYBAEMBJNHOAER-VXGBXAGGSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccc(Br)nc2Cl)CC[C@H]1C[NH3+] ZINC001205618303 1370812648 /nfs/dbraw/zinc/81/26/48/1370812648.db2.gz UITAWAPKFRWUFN-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Br)nc2Cl)CC[C@H]1C[NH3+] ZINC001205618303 1370812656 /nfs/dbraw/zinc/81/26/56/1370812656.db2.gz UITAWAPKFRWUFN-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc1Br ZINC001205627651 1370817853 /nfs/dbraw/zinc/81/78/53/1370817853.db2.gz RHFVRGMUEGOYJM-OCCSQVGLSA-N 2 1 341.293 3.265 20 0 EGADMP Cc1cc(Br)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1O ZINC001205651191 1370827894 /nfs/dbraw/zinc/82/78/94/1370827894.db2.gz AZALHDOUDOOKJD-WCQYABFASA-N 2 1 341.293 3.270 20 0 EGADMP COc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1OCC1CC1 ZINC001205663340 1370833669 /nfs/dbraw/zinc/83/36/69/1370833669.db2.gz HWEDVGYOWNZZHL-RDJZCZTQSA-N 2 1 332.488 3.291 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc1OC(F)(F)F ZINC001205663343 1370833720 /nfs/dbraw/zinc/83/37/20/1370833720.db2.gz HWQJALLBWUQPSC-JSGCOSHPSA-N 2 1 346.393 3.401 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccccc2-c2ccc(F)cc2F)C1 ZINC001205734695 1370854113 /nfs/dbraw/zinc/85/41/13/1370854113.db2.gz GWESZDPVSYJOJG-HXUWFJFHSA-N 2 1 346.421 3.308 20 0 EGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205781294 1370867911 /nfs/dbraw/zinc/86/79/11/1370867911.db2.gz VUGPNGGINGGBFG-LBPRGKRZSA-N 2 1 338.320 3.310 20 0 EGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205781294 1370867914 /nfs/dbraw/zinc/86/79/14/1370867914.db2.gz VUGPNGGINGGBFG-LBPRGKRZSA-N 2 1 338.320 3.310 20 0 EGADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001205832020 1370887364 /nfs/dbraw/zinc/88/73/64/1370887364.db2.gz YXIJKVSKGKMSKL-BXUZGUMPSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001205832020 1370887369 /nfs/dbraw/zinc/88/73/69/1370887369.db2.gz YXIJKVSKGKMSKL-BXUZGUMPSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1c[nH]c2cccc(Br)c12 ZINC001205901720 1370905485 /nfs/dbraw/zinc/90/54/85/1370905485.db2.gz FNQPZGZRKUMAKF-NEPJUHHUSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2cccc(Br)c12 ZINC001205901720 1370905490 /nfs/dbraw/zinc/90/54/90/1370905490.db2.gz FNQPZGZRKUMAKF-NEPJUHHUSA-N 2 1 336.277 3.490 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc2c1NC(C)(C)C=C2 ZINC001205924441 1370912976 /nfs/dbraw/zinc/91/29/76/1370912976.db2.gz SYWSFBCIUPKRDH-YOEHRIQHSA-N 2 1 329.488 3.472 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccnc(OCc2ccccc2)c1 ZINC001205924417 1370913220 /nfs/dbraw/zinc/91/32/20/1370913220.db2.gz SPCLHBNCCLSRON-APWZRJJASA-N 2 1 325.456 3.220 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccnc(OCc2ccccc2)c1 ZINC001205924417 1370913222 /nfs/dbraw/zinc/91/32/22/1370913222.db2.gz SPCLHBNCCLSRON-APWZRJJASA-N 2 1 325.456 3.220 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n(C)n1 ZINC001205940981 1370918940 /nfs/dbraw/zinc/91/89/40/1370918940.db2.gz GVCZHCKWPRIHNW-UXHICEINSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n(C)n1 ZINC001205940981 1370918947 /nfs/dbraw/zinc/91/89/47/1370918947.db2.gz GVCZHCKWPRIHNW-UXHICEINSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n(C)n1 ZINC001205940981 1370918952 /nfs/dbraw/zinc/91/89/52/1370918952.db2.gz GVCZHCKWPRIHNW-UXHICEINSA-N 2 1 338.499 3.073 20 0 EGADMP C[C@@H]1C[N@@H+](CCc2ccc(Br)cc2)CCC[C@H]1C[NH3+] ZINC001205981905 1370929465 /nfs/dbraw/zinc/92/94/65/1370929465.db2.gz IWLQAUMFYIUIJD-HIFRSBDPSA-N 2 1 325.294 3.298 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206004683 1370935224 /nfs/dbraw/zinc/93/52/24/1370935224.db2.gz ULMKGEXPZQDMGS-CHWSQXEVSA-N 2 1 346.393 3.401 20 0 EGADMP COc1cc(Br)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206013255 1370937628 /nfs/dbraw/zinc/93/76/28/1370937628.db2.gz QVLGNWCPZXWELP-QWHCGFSZSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)nc2)CCC[C@@H]1C[NH3+] ZINC001206011372 1370938347 /nfs/dbraw/zinc/93/83/47/1370938347.db2.gz BXIOYJWQOZTMJI-YLJYHZDGSA-N 2 1 339.483 3.467 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001206026243 1370941895 /nfs/dbraw/zinc/94/18/95/1370941895.db2.gz RCAVIFBHFIKSQJ-GDBMZVCRSA-N 2 1 332.879 3.333 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2Oc2cnccn2)CCC[C@@H]1C[NH3+] ZINC001206027886 1370941966 /nfs/dbraw/zinc/94/19/66/1370941966.db2.gz XAWFDLHMMLFCSA-JKSUJKDBSA-N 2 1 326.444 3.076 20 0 EGADMP Cc1nc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)co1 ZINC001206093036 1370958532 /nfs/dbraw/zinc/95/85/32/1370958532.db2.gz KECUWWINHCVSEU-MOPGFXCFSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1nc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)co1 ZINC001206093036 1370958534 /nfs/dbraw/zinc/95/85/34/1370958534.db2.gz KECUWWINHCVSEU-MOPGFXCFSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1nc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)co1 ZINC001206093036 1370958538 /nfs/dbraw/zinc/95/85/38/1370958538.db2.gz KECUWWINHCVSEU-MOPGFXCFSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1nc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)co1 ZINC001206093036 1370958540 /nfs/dbraw/zinc/95/85/40/1370958540.db2.gz KECUWWINHCVSEU-MOPGFXCFSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1nc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)co1 ZINC001206093036 1370958545 /nfs/dbraw/zinc/95/85/45/1370958545.db2.gz KECUWWINHCVSEU-MOPGFXCFSA-N 2 1 325.456 3.327 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c2c(OC)cccc12 ZINC001206166636 1370977444 /nfs/dbraw/zinc/97/74/44/1370977444.db2.gz TWHRKWRHVCPJNQ-CVEARBPZSA-N 2 1 332.419 3.118 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c3cc(Br)ccc23)CC[C@@H]1F ZINC001206187316 1370987191 /nfs/dbraw/zinc/98/71/91/1370987191.db2.gz SQJMBQIXEKTQIW-UONOGXRCSA-N 2 1 340.240 3.192 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)CC[C@@H]1F ZINC001206187316 1370987197 /nfs/dbraw/zinc/98/71/97/1370987197.db2.gz SQJMBQIXEKTQIW-UONOGXRCSA-N 2 1 340.240 3.192 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CC1 ZINC001206324366 1371022594 /nfs/dbraw/zinc/02/25/94/1371022594.db2.gz AITPDXALZBOSDO-SFHVURJKSA-N 2 1 332.879 3.477 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cnc1Br ZINC001206324851 1371023177 /nfs/dbraw/zinc/02/31/77/1371023177.db2.gz DWCSZIQNPYIVFG-HNNXBMFYSA-N 2 1 326.282 3.103 20 0 EGADMP [NH3+]C[C@@]1(F)CCCCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001206335882 1371027276 /nfs/dbraw/zinc/02/72/76/1371027276.db2.gz HUTNLCQZJZKKGF-UXHICEINSA-N 2 1 333.495 3.194 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001206444462 1371056145 /nfs/dbraw/zinc/05/61/45/1371056145.db2.gz AGXQSSHNXMYOCC-AATRIKPKSA-N 2 1 346.519 3.191 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206547577 1371090284 /nfs/dbraw/zinc/09/02/84/1371090284.db2.gz JKXZXDNWZYDMJV-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(-n3cccn3)c(Cl)c2)C1 ZINC001206572556 1371096448 /nfs/dbraw/zinc/09/64/48/1371096448.db2.gz CNSGCDAPUQILCP-SFHVURJKSA-N 2 1 332.879 3.477 20 0 EGADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)C1 ZINC001206582272 1371099544 /nfs/dbraw/zinc/09/95/44/1371099544.db2.gz NJTLZDRBQSTNIM-HNNXBMFYSA-N 2 1 342.274 3.167 20 0 EGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)C1 ZINC001206582272 1371099550 /nfs/dbraw/zinc/09/95/50/1371099550.db2.gz NJTLZDRBQSTNIM-HNNXBMFYSA-N 2 1 342.274 3.167 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]C[C@H](F)CC)CC1 ZINC001206621934 1371110992 /nfs/dbraw/zinc/11/09/92/1371110992.db2.gz MTPMEIRJINQUJP-GOSISDBHSA-N 2 1 343.531 3.075 20 0 EGADMP COc1ccc2nc(Cl)c(C[N@@H+]3CCCC[C@H](C[NH3+])C3)cc2c1 ZINC001206624292 1371111451 /nfs/dbraw/zinc/11/14/51/1371111451.db2.gz SWSCKMUSIWPPQD-CYBMUJFWSA-N 2 1 333.863 3.458 20 0 EGADMP COc1ccc2nc(Cl)c(C[N@H+]3CCCC[C@H](C[NH3+])C3)cc2c1 ZINC001206624292 1371111453 /nfs/dbraw/zinc/11/14/53/1371111453.db2.gz SWSCKMUSIWPPQD-CYBMUJFWSA-N 2 1 333.863 3.458 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccnc(OCc3ccccc3)c2)C1 ZINC001206649603 1371119751 /nfs/dbraw/zinc/11/97/51/1371119751.db2.gz WSJQRPIHAYJYLE-LJQANCHMSA-N 2 1 325.456 3.221 20 0 EGADMP Cc1ccc2[nH]nc(C[NH+]3CCC(C[NH3+])(c4ccccc4)CC3)c2c1 ZINC001206749565 1371153011 /nfs/dbraw/zinc/15/30/11/1371153011.db2.gz HBWZPROGLWXANG-UHFFFAOYSA-N 2 1 334.467 3.364 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206770418 1371159363 /nfs/dbraw/zinc/15/93/63/1371159363.db2.gz SARBSWQTPPRWHK-CABCVRRESA-N 2 1 343.471 3.212 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206770418 1371159365 /nfs/dbraw/zinc/15/93/65/1371159365.db2.gz SARBSWQTPPRWHK-CABCVRRESA-N 2 1 343.471 3.212 20 0 EGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001206771724 1371160762 /nfs/dbraw/zinc/16/07/62/1371160762.db2.gz XKHOVBZHYOQCEV-WCQYABFASA-N 2 1 334.357 3.483 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001206780360 1371163896 /nfs/dbraw/zinc/16/38/96/1371163896.db2.gz WZSPTGPVDIJNHD-MRXNPFEDSA-N 2 1 349.494 3.057 20 0 EGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(-c2ccccc2)cn1 ZINC001206805186 1371175096 /nfs/dbraw/zinc/17/50/96/1371175096.db2.gz ASIHWZSPFZKZNC-CVEARBPZSA-N 2 1 325.456 3.316 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)no1 ZINC001206823717 1371180501 /nfs/dbraw/zinc/18/05/01/1371180501.db2.gz PXBDQKDOSCOZJW-OALUTQOASA-N 2 1 325.456 3.327 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)no1 ZINC001206823717 1371180507 /nfs/dbraw/zinc/18/05/07/1371180507.db2.gz PXBDQKDOSCOZJW-OALUTQOASA-N 2 1 325.456 3.327 20 0 EGADMP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)no1 ZINC001206823717 1371180510 /nfs/dbraw/zinc/18/05/10/1371180510.db2.gz PXBDQKDOSCOZJW-OALUTQOASA-N 2 1 325.456 3.327 20 0 EGADMP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)no1 ZINC001206823717 1371180513 /nfs/dbraw/zinc/18/05/13/1371180513.db2.gz PXBDQKDOSCOZJW-OALUTQOASA-N 2 1 325.456 3.327 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC(C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001206954362 1371243932 /nfs/dbraw/zinc/24/39/32/1371243932.db2.gz FTKDSOYIVWSBOP-UHFFFAOYSA-N 2 1 349.563 3.125 20 0 EGADMP FC1(F)COC2(C[NH+](CC3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001207292726 1371352661 /nfs/dbraw/zinc/35/26/61/1371352661.db2.gz XNCKARXWBVFVAQ-UHFFFAOYSA-N 2 1 336.426 3.009 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@@]4(C3)CCCOC4)CC2)cc1 ZINC001207292728 1371353165 /nfs/dbraw/zinc/35/31/65/1371353165.db2.gz XOGAKDULWIIMQC-OAQYLSRUSA-N 2 1 328.500 3.401 20 0 EGADMP O=C1CCC[C@H]2C[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@H]12 ZINC001207293677 1371353821 /nfs/dbraw/zinc/35/38/21/1371353821.db2.gz CXZZRLSSVOPQEB-PMACEKPBSA-N 2 1 326.484 3.200 20 0 EGADMP CC[N@H+](C)C1CC[NH+](CCc2ccc(Br)cc2)CC1 ZINC001207384247 1371380864 /nfs/dbraw/zinc/38/08/64/1371380864.db2.gz KXZVGFUWTAVKTO-UHFFFAOYSA-N 2 1 325.294 3.408 20 0 EGADMP CC[N@@H+](C)C1CC[NH+](CCc2ccc(Br)cc2)CC1 ZINC001207384247 1371380868 /nfs/dbraw/zinc/38/08/68/1371380868.db2.gz KXZVGFUWTAVKTO-UHFFFAOYSA-N 2 1 325.294 3.408 20 0 EGADMP Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207436514 1371395017 /nfs/dbraw/zinc/39/50/17/1371395017.db2.gz LIBZZECPJJKAGB-GOSISDBHSA-N 2 1 329.488 3.096 20 0 EGADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+](CC2CC[NH2+]CC2)C3)c1 ZINC001207435173 1371395604 /nfs/dbraw/zinc/39/56/04/1371395604.db2.gz JBFOQJLRCHHSCR-RTWAWAEBSA-N 2 1 343.515 3.008 20 0 EGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](C[C@H]1CCCOC1)CC2 ZINC001207463341 1371403234 /nfs/dbraw/zinc/40/32/34/1371403234.db2.gz BWYUQJMCDAJIAG-LJQANCHMSA-N 2 1 343.515 3.185 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001207481996 1371410161 /nfs/dbraw/zinc/41/01/61/1371410161.db2.gz QAWJFKCOVQGYDZ-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001207487638 1371410448 /nfs/dbraw/zinc/41/04/48/1371410448.db2.gz PFSVOMBVACIETN-FCHUYYIVSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(CC[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001207487638 1371410453 /nfs/dbraw/zinc/41/04/53/1371410453.db2.gz PFSVOMBVACIETN-FCHUYYIVSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(CC[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001207487638 1371410455 /nfs/dbraw/zinc/41/04/55/1371410455.db2.gz PFSVOMBVACIETN-FCHUYYIVSA-N 2 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(CCN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001207487638 1371410458 /nfs/dbraw/zinc/41/04/58/1371410458.db2.gz PFSVOMBVACIETN-FCHUYYIVSA-N 2 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(CCN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001207487638 1371410461 /nfs/dbraw/zinc/41/04/61/1371410461.db2.gz PFSVOMBVACIETN-FCHUYYIVSA-N 2 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(CC[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001207486051 1371411128 /nfs/dbraw/zinc/41/11/28/1371411128.db2.gz CKKLWWNAIMYGBQ-UHFFFAOYSA-N 3 1 341.543 3.241 20 0 EGADMP C[NH+]1CCC(CC[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001207486051 1371411129 /nfs/dbraw/zinc/41/11/29/1371411129.db2.gz CKKLWWNAIMYGBQ-UHFFFAOYSA-N 2 1 341.543 3.241 20 0 EGADMP Cc1cccc(CC[N@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c1 ZINC001207537915 1371429002 /nfs/dbraw/zinc/42/90/02/1371429002.db2.gz VPFQCDYWKZITTJ-YADHBBJMSA-N 2 1 335.495 3.386 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207789854 1371505437 /nfs/dbraw/zinc/50/54/37/1371505437.db2.gz GIRILPYHSVDUGJ-SJLPKXTDSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001207789854 1371505441 /nfs/dbraw/zinc/50/54/41/1371505441.db2.gz GIRILPYHSVDUGJ-SJLPKXTDSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001207789854 1371505446 /nfs/dbraw/zinc/50/54/46/1371505446.db2.gz GIRILPYHSVDUGJ-SJLPKXTDSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCCCC1 ZINC001120208078 1371505582 /nfs/dbraw/zinc/50/55/82/1371505582.db2.gz UJXOPDKJAHYSBO-QZTJIDSGSA-N 2 1 337.552 3.316 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCCc1ccc(C)o1)C2 ZINC001207943170 1371545262 /nfs/dbraw/zinc/54/52/62/1371545262.db2.gz COGNWPMALKBEOX-CTNGQTDRSA-N 2 1 346.515 3.201 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439746 1371577734 /nfs/dbraw/zinc/57/77/34/1371577734.db2.gz IQVWVOFSERZNMI-OYQYDDJWSA-N 2 1 349.563 3.388 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC2CCCC2)C1 ZINC001120439990 1371578107 /nfs/dbraw/zinc/57/81/07/1371578107.db2.gz KOVWQJFXVLXCMU-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208112843 1371598388 /nfs/dbraw/zinc/59/83/88/1371598388.db2.gz ZVLRIXVXXPWNDH-HOTGVXAUSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208112841 1371598566 /nfs/dbraw/zinc/59/85/66/1371598566.db2.gz ZVLRIXVXXPWNDH-CVEARBPZSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)CC1 ZINC001208113276 1371598620 /nfs/dbraw/zinc/59/86/20/1371598620.db2.gz GKBMBPXOHSBFPD-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2CC2(C)CC[NH+](C)CC2)cc1 ZINC001208115150 1371599376 /nfs/dbraw/zinc/59/93/76/1371599376.db2.gz FSVZUTIOOQVAAY-SFHVURJKSA-N 2 1 330.472 3.342 20 0 EGADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208123651 1371603877 /nfs/dbraw/zinc/60/38/77/1371603877.db2.gz PJDYVISFOCCVDR-IEBWSBKVSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208129102 1371604192 /nfs/dbraw/zinc/60/41/92/1371604192.db2.gz OIWWBGPRWVZMSG-YQVWRLOYSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208129102 1371604198 /nfs/dbraw/zinc/60/41/98/1371604198.db2.gz OIWWBGPRWVZMSG-YQVWRLOYSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208129102 1371604204 /nfs/dbraw/zinc/60/42/04/1371604204.db2.gz OIWWBGPRWVZMSG-YQVWRLOYSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+](C)CC1(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC001208191110 1371631090 /nfs/dbraw/zinc/63/10/90/1371631090.db2.gz KTEHZPVGLAOOLR-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C)CC1(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC001208191110 1371631095 /nfs/dbraw/zinc/63/10/95/1371631095.db2.gz KTEHZPVGLAOOLR-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP Cc1cccc(O[C@@H]2CCC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)n1 ZINC001208189621 1371631229 /nfs/dbraw/zinc/63/12/29/1371631229.db2.gz WJUCKUHMVMUSOQ-GOSISDBHSA-N 2 1 331.504 3.355 20 0 EGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331726 1371721460 /nfs/dbraw/zinc/72/14/60/1371721460.db2.gz WLNKNZKROQSYKO-RBUKOAKNSA-N 2 1 337.552 3.410 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1)C1CCC1 ZINC001208341343 1371724588 /nfs/dbraw/zinc/72/45/88/1371724588.db2.gz ZHNORRUIPHERHE-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001208358697 1371733403 /nfs/dbraw/zinc/73/34/03/1371733403.db2.gz LZEONEUNWVTETH-CQQBRXBZSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001208453307 1371771295 /nfs/dbraw/zinc/77/12/95/1371771295.db2.gz DOHIQTHQNCMTCJ-MSOLQXFVSA-N 2 1 345.531 3.367 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001208575783 1371824335 /nfs/dbraw/zinc/82/43/35/1371824335.db2.gz VEPQUXBKFZQZOV-LQVORQGVSA-N 2 1 337.552 3.290 20 0 EGADMP CCCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208588886 1371830279 /nfs/dbraw/zinc/83/02/79/1371830279.db2.gz MMSJWQCDNGVSSQ-OAQYLSRUSA-N 2 1 329.532 3.459 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC001208597035 1371834713 /nfs/dbraw/zinc/83/47/13/1371834713.db2.gz AUPBAUHAVBWUFH-UHFFFAOYSA-N 2 1 333.495 3.065 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001208603071 1371837096 /nfs/dbraw/zinc/83/70/96/1371837096.db2.gz UPMBSLPIVMARRZ-UHFFFAOYSA-N 3 1 347.522 3.454 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001208603071 1371837099 /nfs/dbraw/zinc/83/70/99/1371837099.db2.gz UPMBSLPIVMARRZ-UHFFFAOYSA-N 3 1 347.522 3.454 20 0 EGADMP CC[N@H+](C[C@@H]1CCC[NH+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001208613131 1371839261 /nfs/dbraw/zinc/83/92/61/1371839261.db2.gz PRMLWFYDLBKNBZ-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP CC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001208613131 1371839267 /nfs/dbraw/zinc/83/92/67/1371839267.db2.gz PRMLWFYDLBKNBZ-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](C[C@@H]1CCC[N@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001208613131 1371839271 /nfs/dbraw/zinc/83/92/71/1371839271.db2.gz PRMLWFYDLBKNBZ-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001208613131 1371839278 /nfs/dbraw/zinc/83/92/78/1371839278.db2.gz PRMLWFYDLBKNBZ-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP COc1ccccc1OCC1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208612116 1371839446 /nfs/dbraw/zinc/83/94/46/1371839446.db2.gz BCZUJZIXPDQWLJ-SFHVURJKSA-N 2 1 332.488 3.128 20 0 EGADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN(C[C@H]2CCC[NH+](C)C2)CC1 ZINC001208619888 1371844613 /nfs/dbraw/zinc/84/46/13/1371844613.db2.gz ZBTXFOVSSUSDSV-SFHVURJKSA-N 2 1 333.495 3.064 20 0 EGADMP C[NH+](Cc1ccc(F)cc1)C1CCN(C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208619888 1371844620 /nfs/dbraw/zinc/84/46/20/1371844620.db2.gz ZBTXFOVSSUSDSV-SFHVURJKSA-N 2 1 333.495 3.064 20 0 EGADMP C[NH+](Cc1ccc(F)cc1)C1CCN(C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208619888 1371844628 /nfs/dbraw/zinc/84/46/28/1371844628.db2.gz ZBTXFOVSSUSDSV-SFHVURJKSA-N 2 1 333.495 3.064 20 0 EGADMP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121103096 1371855100 /nfs/dbraw/zinc/85/51/00/1371855100.db2.gz RPBZMMCZHNRGRI-ODLLKVOJSA-N 2 1 347.547 3.233 20 0 EGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](CCC(C)(C)c1ccccc1)CC2 ZINC001208666812 1371855826 /nfs/dbraw/zinc/85/58/26/1371855826.db2.gz QCEWWVBRUMPZMU-UHFFFAOYSA-N 2 1 329.488 3.484 20 0 EGADMP CC[C@@H](CCC(=O)OC)C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001208783095 1371894749 /nfs/dbraw/zinc/89/47/49/1371894749.db2.gz OKQVGFSNDDDRLB-KRWDZBQOSA-N 2 1 336.520 3.306 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001121326017 1371937575 /nfs/dbraw/zinc/93/75/75/1371937575.db2.gz SVDCESMDKZECPG-UHFFFAOYSA-N 2 1 337.552 3.170 20 0 EGADMP CCC(=O)C(C)(C)C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001208921490 1371946067 /nfs/dbraw/zinc/94/60/67/1371946067.db2.gz LJLIHTVKUSRCGS-OALUTQOASA-N 2 1 328.500 3.446 20 0 EGADMP CCC(=O)C(C)(C)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001208921490 1371946072 /nfs/dbraw/zinc/94/60/72/1371946072.db2.gz LJLIHTVKUSRCGS-OALUTQOASA-N 2 1 328.500 3.446 20 0 EGADMP CCC(=O)C(C)(C)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208921490 1371946075 /nfs/dbraw/zinc/94/60/75/1371946075.db2.gz LJLIHTVKUSRCGS-OALUTQOASA-N 2 1 328.500 3.446 20 0 EGADMP CCC(=O)C(C)(C)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208921490 1371946080 /nfs/dbraw/zinc/94/60/80/1371946080.db2.gz LJLIHTVKUSRCGS-OALUTQOASA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@]1(CO)CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208933016 1371951959 /nfs/dbraw/zinc/95/19/59/1371951959.db2.gz SRXUHLXMOVCKGO-LEWJYISDSA-N 2 1 330.516 3.383 20 0 EGADMP C[C@@]1(CO)CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208933016 1371951963 /nfs/dbraw/zinc/95/19/63/1371951963.db2.gz SRXUHLXMOVCKGO-LEWJYISDSA-N 2 1 330.516 3.383 20 0 EGADMP C[C@@]1(CO)CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208933016 1371951967 /nfs/dbraw/zinc/95/19/67/1371951967.db2.gz SRXUHLXMOVCKGO-LEWJYISDSA-N 2 1 330.516 3.383 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@]1(C)O ZINC001208932872 1371952031 /nfs/dbraw/zinc/95/20/31/1371952031.db2.gz RSMGADHWMMCSMU-GIVPXCGWSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@]1(C)O ZINC001208932872 1371952034 /nfs/dbraw/zinc/95/20/34/1371952034.db2.gz RSMGADHWMMCSMU-GIVPXCGWSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@]1(C)O ZINC001208932872 1371952035 /nfs/dbraw/zinc/95/20/35/1371952035.db2.gz RSMGADHWMMCSMU-GIVPXCGWSA-N 2 1 330.516 3.382 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC4(C3)CCOCC4)C2)cc1 ZINC001208936212 1371952561 /nfs/dbraw/zinc/95/25/61/1371952561.db2.gz MRAYKRNZPPPXLR-FQEVSTJZSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCC4(C3)CCOCC4)C2)cc1 ZINC001208936212 1371952564 /nfs/dbraw/zinc/95/25/64/1371952564.db2.gz MRAYKRNZPPPXLR-FQEVSTJZSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCC4(C3)CCOCC4)C2)cc1 ZINC001208936212 1371952566 /nfs/dbraw/zinc/95/25/66/1371952566.db2.gz MRAYKRNZPPPXLR-FQEVSTJZSA-N 2 1 328.500 3.401 20 0 EGADMP FC1CN(C2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC001208939125 1371955089 /nfs/dbraw/zinc/95/50/89/1371955089.db2.gz FQMYNAMVOIYOLA-LJQANCHMSA-N 2 1 345.506 3.017 20 0 EGADMP C[N@@H+](C1CC1)C1CCN(C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208942934 1371957531 /nfs/dbraw/zinc/95/75/31/1371957531.db2.gz KCPFTVQEIUTXKP-HXUWFJFHSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+](C1CC1)C1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208942934 1371957535 /nfs/dbraw/zinc/95/75/35/1371957535.db2.gz KCPFTVQEIUTXKP-HXUWFJFHSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+](C1CC1)C1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208942934 1371957538 /nfs/dbraw/zinc/95/75/38/1371957538.db2.gz KCPFTVQEIUTXKP-HXUWFJFHSA-N 2 1 341.543 3.457 20 0 EGADMP FC1(F)CO[C@]2(CC[N@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208952760 1371960016 /nfs/dbraw/zinc/96/00/16/1371960016.db2.gz KZYOHBBJNABAGM-QZTJIDSGSA-N 2 1 336.426 3.009 20 0 EGADMP FC1(F)CO[C@]2(CC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208952760 1371960018 /nfs/dbraw/zinc/96/00/18/1371960018.db2.gz KZYOHBBJNABAGM-QZTJIDSGSA-N 2 1 336.426 3.009 20 0 EGADMP FC1(F)CO[C@]2(CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208952760 1371960024 /nfs/dbraw/zinc/96/00/24/1371960024.db2.gz KZYOHBBJNABAGM-QZTJIDSGSA-N 2 1 336.426 3.009 20 0 EGADMP FC1(F)CO[C@]2(CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208952760 1371960029 /nfs/dbraw/zinc/96/00/29/1371960029.db2.gz KZYOHBBJNABAGM-QZTJIDSGSA-N 2 1 336.426 3.009 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN3CCCC[C@@H]3C[NH+]3CCCC3)C2)cc1 ZINC001208950286 1371960646 /nfs/dbraw/zinc/96/06/46/1371960646.db2.gz RLBKPFFSURCFOV-FCHUYYIVSA-N 2 1 341.543 3.459 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209223923 1372042360 /nfs/dbraw/zinc/04/23/60/1372042360.db2.gz XDTYLNVUJKZHNU-UYAOXDASSA-N 2 1 347.547 3.330 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2CCCCCc1ccccc1 ZINC001209230300 1372043911 /nfs/dbraw/zinc/04/39/11/1372043911.db2.gz OJBOWFRPWKYXEP-RTWAWAEBSA-N 2 1 329.532 3.110 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC001209245077 1372048548 /nfs/dbraw/zinc/04/85/48/1372048548.db2.gz QYZWMTHFPHKVLT-UHFFFAOYSA-N 2 1 331.410 3.450 20 0 EGADMP Cc1ncc2n1CC[N@H+](CCCCCCNC(=O)OC(C)(C)C)C2 ZINC001209355780 1372077078 /nfs/dbraw/zinc/07/70/78/1372077078.db2.gz ULJHFMBALBZNSO-UHFFFAOYSA-N 2 1 336.480 3.092 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)C[C@H](C)O1 ZINC001209380593 1372083719 /nfs/dbraw/zinc/08/37/19/1372083719.db2.gz MDYOXSVQRAFGHK-PECIQYQJSA-N 2 1 334.529 3.315 20 0 EGADMP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)C[C@H](C)O1 ZINC001209380593 1372083725 /nfs/dbraw/zinc/08/37/25/1372083725.db2.gz MDYOXSVQRAFGHK-PECIQYQJSA-N 2 1 334.529 3.315 20 0 EGADMP C[C@@H]1C[C@@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)C[C@H](C)O1 ZINC001209380593 1372083727 /nfs/dbraw/zinc/08/37/27/1372083727.db2.gz MDYOXSVQRAFGHK-PECIQYQJSA-N 2 1 334.529 3.315 20 0 EGADMP C[C@@H]1C[C@@H](C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)C[C@H](C)O1 ZINC001209380593 1372083730 /nfs/dbraw/zinc/08/37/30/1372083730.db2.gz MDYOXSVQRAFGHK-PECIQYQJSA-N 2 1 334.529 3.315 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001187857832 1388178823 /nfs/dbraw/zinc/17/88/23/1388178823.db2.gz SNSJIXBPFJLVMO-IPMKNSEASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001187857832 1388178827 /nfs/dbraw/zinc/17/88/27/1388178827.db2.gz SNSJIXBPFJLVMO-IPMKNSEASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001187857832 1388178828 /nfs/dbraw/zinc/17/88/28/1388178828.db2.gz SNSJIXBPFJLVMO-IPMKNSEASA-N 2 1 349.563 3.218 20 0 EGADMP COc1cccc(O[C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC001209448605 1372108456 /nfs/dbraw/zinc/10/84/56/1372108456.db2.gz FNLDWBGAVFTENR-FQEVSTJZSA-N 2 1 332.488 3.414 20 0 EGADMP COc1cccc(O[C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC001209448605 1372108463 /nfs/dbraw/zinc/10/84/63/1372108463.db2.gz FNLDWBGAVFTENR-FQEVSTJZSA-N 2 1 332.488 3.414 20 0 EGADMP COc1ccccc1[C@H](O)C[N@@H+](CCC[NH+]1CCCCC1)C(C)C ZINC001209450016 1372108876 /nfs/dbraw/zinc/10/88/76/1372108876.db2.gz DQQVUSHCAYYZNT-LJQANCHMSA-N 2 1 334.504 3.315 20 0 EGADMP O=C1N(c2ccsc2)CC[C@@]12CC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC001209451539 1372109482 /nfs/dbraw/zinc/10/94/82/1372109482.db2.gz IGVSVTJPVCURCS-LJQANCHMSA-N 2 1 347.528 3.053 20 0 EGADMP Cc1nc2ccccn2c1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001209646708 1372160865 /nfs/dbraw/zinc/16/08/65/1372160865.db2.gz GRVQXFPBPRFNIO-SFHVURJKSA-N 2 1 326.488 3.483 20 0 EGADMP Cc1nc2ccccn2c1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001209646708 1372160871 /nfs/dbraw/zinc/16/08/71/1372160871.db2.gz GRVQXFPBPRFNIO-SFHVURJKSA-N 2 1 326.488 3.483 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]CCC2CCCC2)C1)CC(C)(C)C ZINC001209688978 1372170569 /nfs/dbraw/zinc/17/05/69/1372170569.db2.gz IBPJLJWQRAWVIQ-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC(CC)CC)C2 ZINC001122101633 1372174360 /nfs/dbraw/zinc/17/43/60/1372174360.db2.gz UDGYFIAQZIQYRX-UHFFFAOYSA-N 2 1 337.552 3.172 20 0 EGADMP c1ccc(C[NH+]2CCC3(CCC[N@@H+](Cc4cnccn4)C3)CC2)cc1 ZINC001209788149 1372197411 /nfs/dbraw/zinc/19/74/11/1372197411.db2.gz JYPDGBSDWFXGHP-UHFFFAOYSA-N 2 1 336.483 3.355 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209892615 1372224869 /nfs/dbraw/zinc/22/48/69/1372224869.db2.gz WNIZKVYWOGBXSE-MSOLQXFVSA-N 2 1 348.535 3.269 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(CN2CC[NH2+][C@@H](Cc3ccccc3)C2)cc1 ZINC001210312024 1372322481 /nfs/dbraw/zinc/32/24/81/1372322481.db2.gz SDZBLUYWNILODL-NRFANRHFSA-N 2 1 346.478 3.197 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374138 1372542865 /nfs/dbraw/zinc/54/28/65/1372542865.db2.gz APLDKGFEIFEYSM-NSISKUIASA-N 2 1 345.531 3.162 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374138 1372542867 /nfs/dbraw/zinc/54/28/67/1372542867.db2.gz APLDKGFEIFEYSM-NSISKUIASA-N 2 1 345.531 3.162 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211443823 1372559434 /nfs/dbraw/zinc/55/94/34/1372559434.db2.gz IOTONLBRRNXZGC-SBUVDCAVSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001214661796 1373098398 /nfs/dbraw/zinc/09/83/98/1373098398.db2.gz DTHVWDCPUIKWJX-PUSMVSPTSA-N 2 1 346.519 3.189 20 0 EGADMP O=C(NCC[NH2+]CCC1CCCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356562 1373118558 /nfs/dbraw/zinc/11/85/58/1373118558.db2.gz HNIHBOIXVWWBFK-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326583337 1388247636 /nfs/dbraw/zinc/24/76/36/1388247636.db2.gz GZUGATZKRZMZTN-CQSZACIVSA-N 2 1 335.879 3.133 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001128783040 1373311208 /nfs/dbraw/zinc/31/12/08/1373311208.db2.gz CVYGAJNOYWYSLZ-FQEVSTJZSA-N 2 1 343.515 3.034 20 0 EGADMP [NH3+]Cc1cccc(Cc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC001217711075 1373493054 /nfs/dbraw/zinc/49/30/54/1373493054.db2.gz DBHHVSFEWXRFBX-LJQANCHMSA-N 2 1 348.450 3.109 20 0 EGADMP C[NH+](C)CCCC[C@H]([NH3+])c1nnc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001217712572 1373493383 /nfs/dbraw/zinc/49/33/83/1373493383.db2.gz COGMYAXCWQQQRV-ZDUSSCGKSA-N 2 1 342.365 3.487 20 0 EGADMP Clc1ccc(C[N@@H+]2CC[C@H](OC[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC001217907737 1373511374 /nfs/dbraw/zinc/51/13/74/1373511374.db2.gz HMJDFHMHBQQHBL-KGLIPLIRSA-N 2 1 329.271 3.336 20 0 EGADMP Clc1ccc(C[N@H+]2CC[C@H](OC[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC001217907737 1373511377 /nfs/dbraw/zinc/51/13/77/1373511377.db2.gz HMJDFHMHBQQHBL-KGLIPLIRSA-N 2 1 329.271 3.336 20 0 EGADMP Fc1ccccc1C[N@H+]1CCC[C@H](Oc2ccc3c(c2)C[NH2+]C3)C1 ZINC001218390644 1373605361 /nfs/dbraw/zinc/60/53/61/1373605361.db2.gz LVSFAQMYFULAIN-IBGZPJMESA-N 2 1 326.415 3.472 20 0 EGADMP C[C@H]1CC[C@@H](Oc2ccc3c(n2)C[N@@H+](Cc2ccccc2)CC3)C[NH2+]1 ZINC001218407293 1373609645 /nfs/dbraw/zinc/60/96/45/1373609645.db2.gz OYGXJNPHZYHJCC-QFBILLFUSA-N 2 1 337.467 3.159 20 0 EGADMP C[C@H]1CC[C@@H](Oc2ccc3c(n2)C[N@H+](Cc2ccccc2)CC3)C[NH2+]1 ZINC001218407293 1373609646 /nfs/dbraw/zinc/60/96/46/1373609646.db2.gz OYGXJNPHZYHJCC-QFBILLFUSA-N 2 1 337.467 3.159 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCCC3)C[C@H]21)C(C)C ZINC001221876672 1373800066 /nfs/dbraw/zinc/80/00/66/1373800066.db2.gz NTYWHHAXNVDYTH-VAMGGRTRSA-N 2 1 349.563 3.076 20 0 EGADMP C[N@@H+](CCC(=O)NCC[NH2+]Cc1ccc(CF)cc1)C1CCCCC1 ZINC001131815654 1373819424 /nfs/dbraw/zinc/81/94/24/1373819424.db2.gz NOAQNYXCNMGTQP-UHFFFAOYSA-N 2 1 349.494 3.017 20 0 EGADMP Cc1nc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222272295 1373822826 /nfs/dbraw/zinc/82/28/26/1373822826.db2.gz QKLJMUPYHDPFIB-INIZCTEOSA-N 2 1 327.394 3.374 20 0 EGADMP Cc1nc(C(F)(F)F)ccc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222272295 1373822830 /nfs/dbraw/zinc/82/28/30/1373822830.db2.gz QKLJMUPYHDPFIB-INIZCTEOSA-N 2 1 327.394 3.374 20 0 EGADMP COc1ncc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c2ccccc21 ZINC001222272294 1373823111 /nfs/dbraw/zinc/82/31/11/1373823111.db2.gz QFJRUUNCNZWIBG-HXUWFJFHSA-N 2 1 325.456 3.209 20 0 EGADMP COc1ncc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c2ccccc21 ZINC001222272294 1373823114 /nfs/dbraw/zinc/82/31/14/1373823114.db2.gz QFJRUUNCNZWIBG-HXUWFJFHSA-N 2 1 325.456 3.209 20 0 EGADMP CC(C)=CCCC1=CC[C@H](C[N@H+]2CC(=O)NC3(CC[NH2+]CC3)C2)CC1 ZINC001222514687 1373851096 /nfs/dbraw/zinc/85/10/96/1373851096.db2.gz BXDUXZLEGDEDOF-IBGZPJMESA-N 2 1 345.531 3.013 20 0 EGADMP CCCCCCc1csc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222515506 1373851143 /nfs/dbraw/zinc/85/11/43/1373851143.db2.gz SZAHYUPWMLAZFK-OALUTQOASA-N 2 1 335.561 3.397 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC[NH+](Cc2ccccc2C)CC1 ZINC001225245765 1375099360 /nfs/dbraw/zinc/09/93/60/1375099360.db2.gz XPYHMJGCVOHDGH-UHFFFAOYSA-N 2 1 345.531 3.055 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCCC(C)(C)C ZINC001132105034 1375150587 /nfs/dbraw/zinc/15/05/87/1375150587.db2.gz AIOGSGXEAVBFFR-SJORKVTESA-N 2 1 337.552 3.266 20 0 EGADMP CCc1ccc(C[N@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)cc1 ZINC001132248876 1375244798 /nfs/dbraw/zinc/24/47/98/1375244798.db2.gz JWBJEQMDRUDHSO-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132277458 1375260726 /nfs/dbraw/zinc/26/07/26/1375260726.db2.gz HGCXRYOUEMWDRN-MJGOQNOKSA-N 2 1 345.531 3.231 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@H+]1CCC(C)(C)C ZINC001132310572 1375288043 /nfs/dbraw/zinc/28/80/43/1375288043.db2.gz LUZKUSFMACMSLU-IAGOWNOFSA-N 2 1 339.568 3.370 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[NH+]1CCC(C)(C)C ZINC001132310572 1375288052 /nfs/dbraw/zinc/28/80/52/1375288052.db2.gz LUZKUSFMACMSLU-IAGOWNOFSA-N 2 1 339.568 3.370 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[NH+]1CCC(C)(C)C ZINC001132310572 1375288055 /nfs/dbraw/zinc/28/80/55/1375288055.db2.gz LUZKUSFMACMSLU-IAGOWNOFSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCC2)C1 ZINC001132335607 1375315584 /nfs/dbraw/zinc/31/55/84/1375315584.db2.gz RDAIYILGHIRQGX-WMZOPIPTSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CCC2)C1 ZINC001132335607 1375315592 /nfs/dbraw/zinc/31/55/92/1375315592.db2.gz RDAIYILGHIRQGX-WMZOPIPTSA-N 2 1 346.519 3.166 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CCCC2)C1 ZINC001132364218 1375327295 /nfs/dbraw/zinc/32/72/95/1375327295.db2.gz BCLHVIGQJFCABD-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCCC2)C1 ZINC001132364218 1375327298 /nfs/dbraw/zinc/32/72/98/1375327298.db2.gz BCLHVIGQJFCABD-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132375251 1375338856 /nfs/dbraw/zinc/33/88/56/1375338856.db2.gz CCYATQHAGCCEOO-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCF)C1 ZINC001132419972 1375368608 /nfs/dbraw/zinc/36/86/08/1375368608.db2.gz KZVXYOUXVINKPL-ROUUACIJSA-N 2 1 343.531 3.217 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132435390 1375379975 /nfs/dbraw/zinc/37/99/75/1375379975.db2.gz CMMKLVFLMPGKER-VXOKQSJXSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001132435390 1375379976 /nfs/dbraw/zinc/37/99/76/1375379976.db2.gz CMMKLVFLMPGKER-VXOKQSJXSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132435390 1375379981 /nfs/dbraw/zinc/37/99/81/1375379981.db2.gz CMMKLVFLMPGKER-VXOKQSJXSA-N 2 1 337.552 3.434 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132436101 1375381658 /nfs/dbraw/zinc/38/16/58/1375381658.db2.gz IQQLGVVWYLABRK-ZWKOTPCHSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2=CCCCC2)C1 ZINC001132437453 1375382037 /nfs/dbraw/zinc/38/20/37/1375382037.db2.gz UVVGGXBXNOYJOA-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2=CCCCC2)C1 ZINC001132437453 1375382040 /nfs/dbraw/zinc/38/20/40/1375382040.db2.gz UVVGGXBXNOYJOA-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2=CCCCC2)C1 ZINC001132437453 1375382042 /nfs/dbraw/zinc/38/20/42/1375382042.db2.gz UVVGGXBXNOYJOA-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132441417 1375384263 /nfs/dbraw/zinc/38/42/63/1375384263.db2.gz OOCDYGKIEFPLQH-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001132441417 1375384268 /nfs/dbraw/zinc/38/42/68/1375384268.db2.gz OOCDYGKIEFPLQH-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001132441417 1375384274 /nfs/dbraw/zinc/38/42/74/1375384274.db2.gz OOCDYGKIEFPLQH-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132517772 1375435698 /nfs/dbraw/zinc/43/56/98/1375435698.db2.gz GIVFKOURAQEHMK-MJGOQNOKSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001132517772 1375435700 /nfs/dbraw/zinc/43/57/00/1375435700.db2.gz GIVFKOURAQEHMK-MJGOQNOKSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001132517772 1375435701 /nfs/dbraw/zinc/43/57/01/1375435701.db2.gz GIVFKOURAQEHMK-MJGOQNOKSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132519399 1375436864 /nfs/dbraw/zinc/43/68/64/1375436864.db2.gz YDKXDDZYFAZZAH-SJORKVTESA-N 2 1 325.541 3.122 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCC(C)(C)C)C1 ZINC001132519399 1375436869 /nfs/dbraw/zinc/43/68/69/1375436869.db2.gz YDKXDDZYFAZZAH-SJORKVTESA-N 2 1 325.541 3.122 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CC1CC(C)(C)C1 ZINC001132517425 1375436221 /nfs/dbraw/zinc/43/62/21/1375436221.db2.gz CCQYMRLRVDCLQI-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC(C)(C)C)C1 ZINC001132519399 1375436875 /nfs/dbraw/zinc/43/68/75/1375436875.db2.gz YDKXDDZYFAZZAH-SJORKVTESA-N 2 1 325.541 3.122 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[N@H+]1CC1CCC1 ZINC001132549329 1375455415 /nfs/dbraw/zinc/45/54/15/1375455415.db2.gz QQFAFSKXAJYGDJ-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[N@H+]1CC1CCCC1 ZINC001132549309 1375455653 /nfs/dbraw/zinc/45/56/53/1375455653.db2.gz QFLFCNUBMXOBSH-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001227876096 1375485680 /nfs/dbraw/zinc/48/56/80/1375485680.db2.gz FCBYEGIEUGKMQG-LJQANCHMSA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001228039819 1375508486 /nfs/dbraw/zinc/50/84/86/1375508486.db2.gz PGLAIIPZYAAPOE-HNNXBMFYSA-N 2 1 349.494 3.198 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001228138113 1375519816 /nfs/dbraw/zinc/51/98/16/1375519816.db2.gz OKWXFSCGGRHXCX-SHOKJUJBSA-N 2 1 349.563 3.482 20 0 EGADMP C[N@H+]1CC[C@H](Oc2ccc(C[NH+]3CCCCC3)c3cccnc23)C1 ZINC001228375019 1375559738 /nfs/dbraw/zinc/55/97/38/1375559738.db2.gz VBLPUZCVXLWFJF-KRWDZBQOSA-N 2 1 325.456 3.304 20 0 EGADMP CC1CCC(C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001132791138 1375566638 /nfs/dbraw/zinc/56/66/38/1375566638.db2.gz SLBHHFVIYRRFFA-AFMYVXGZSA-N 2 1 349.563 3.316 20 0 EGADMP CC[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001228623454 1375621104 /nfs/dbraw/zinc/62/11/04/1375621104.db2.gz BHJWHUMZVTXQNU-BRWVUGGUSA-N 2 1 325.541 3.027 20 0 EGADMP CCC/C=C\CC[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001229616437 1375865306 /nfs/dbraw/zinc/86/53/06/1375865306.db2.gz LIADMQWEEMKPIP-WAYWQWQTSA-N 2 1 346.519 3.299 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1)c1ccccc1 ZINC001229651978 1375871901 /nfs/dbraw/zinc/87/19/01/1375871901.db2.gz GIVPUZXTPNLCGL-AQNXPRMDSA-N 2 1 343.515 3.106 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C(C)C)c1ccccc1 ZINC001229652949 1375872707 /nfs/dbraw/zinc/87/27/07/1375872707.db2.gz UFBZFHIOZWYQOY-GUDVDZBRSA-N 2 1 331.504 3.105 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCC(C)C)C1 ZINC001133263231 1375878891 /nfs/dbraw/zinc/87/88/91/1375878891.db2.gz REAXBWKWJQUYQT-RBUKOAKNSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133274495 1375888732 /nfs/dbraw/zinc/88/87/32/1375888732.db2.gz IYMLSAKRKKHALN-ZWKOTPCHSA-N 2 1 339.568 3.229 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CCC ZINC001229837202 1375901523 /nfs/dbraw/zinc/90/15/23/1375901523.db2.gz BATMUSVLZOGBHS-QZTJIDSGSA-N 2 1 325.541 3.316 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001229860657 1375906653 /nfs/dbraw/zinc/90/66/53/1375906653.db2.gz YEMUZUPODKGOAN-RTBURBONSA-N 2 1 337.552 3.316 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001230107609 1375944927 /nfs/dbraw/zinc/94/49/27/1375944927.db2.gz ODDYIPZESZHVTG-UHFFFAOYSA-N 2 1 325.541 3.125 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001230538552 1376062274 /nfs/dbraw/zinc/06/22/74/1376062274.db2.gz VVHXZJBLWTYKNG-UHDDOPSISA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001230538552 1376062281 /nfs/dbraw/zinc/06/22/81/1376062281.db2.gz VVHXZJBLWTYKNG-UHDDOPSISA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001230538552 1376062297 /nfs/dbraw/zinc/06/22/97/1376062297.db2.gz VVHXZJBLWTYKNG-UHDDOPSISA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C)c1cccc(Cl)c1 ZINC001133899542 1376256527 /nfs/dbraw/zinc/25/65/27/1376256527.db2.gz LHLAXAJOSHOLIA-AWEZNQCLSA-N 2 1 339.911 3.085 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1Cl ZINC001133918468 1376264223 /nfs/dbraw/zinc/26/42/23/1376264223.db2.gz VCECFYLLBPCKGF-AWEZNQCLSA-N 2 1 339.911 3.085 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2cc(C)nc(C)c2)CC1 ZINC001232004763 1376380551 /nfs/dbraw/zinc/38/05/51/1376380551.db2.gz QZRFLDWNQUDYLU-UHFFFAOYSA-N 2 1 346.563 3.328 20 0 EGADMP Fc1ccc(F)c(O[C@H]2CC[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001232013759 1376382038 /nfs/dbraw/zinc/38/20/38/1376382038.db2.gz FFDUJSZZXJPOEK-HNNXBMFYSA-N 2 1 329.350 3.494 20 0 EGADMP Fc1ccc(F)c(O[C@H]2CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001232013759 1376382043 /nfs/dbraw/zinc/38/20/43/1376382043.db2.gz FFDUJSZZXJPOEK-HNNXBMFYSA-N 2 1 329.350 3.494 20 0 EGADMP C[N@H+](Cc1cc2c[nH+]ccc2[nH]1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232014605 1376384453 /nfs/dbraw/zinc/38/44/53/1376384453.db2.gz SHECCGLMRDWKET-AWEZNQCLSA-N 2 1 344.459 3.252 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(Cc3c[nH]c4c3cccc4Br)C[C@@H]2C1 ZINC001232017425 1376385599 /nfs/dbraw/zinc/38/55/99/1376385599.db2.gz GFNMQMMIHMZLPC-OCCSQVGLSA-N 2 1 348.288 3.314 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3c[nH]c4c3cccc4Br)C[C@@H]2C1 ZINC001232017425 1376385604 /nfs/dbraw/zinc/38/56/04/1376385604.db2.gz GFNMQMMIHMZLPC-OCCSQVGLSA-N 2 1 348.288 3.314 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c[nH]c4c3cccc4Br)C[C@@H]2C1 ZINC001232017425 1376385608 /nfs/dbraw/zinc/38/56/08/1376385608.db2.gz GFNMQMMIHMZLPC-OCCSQVGLSA-N 2 1 348.288 3.314 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c[nH]c4c3cccc4Br)C[C@@H]2C1 ZINC001232017425 1376385615 /nfs/dbraw/zinc/38/56/15/1376385615.db2.gz GFNMQMMIHMZLPC-OCCSQVGLSA-N 2 1 348.288 3.314 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c[nH]c4c3cccc4Br)C[C@@H]2C1 ZINC001232017425 1376385619 /nfs/dbraw/zinc/38/56/19/1376385619.db2.gz GFNMQMMIHMZLPC-OCCSQVGLSA-N 2 1 348.288 3.314 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232016573 1376386575 /nfs/dbraw/zinc/38/65/75/1376386575.db2.gz ZZRJUAUFBGESRJ-DZGCQCFKSA-N 2 1 344.459 3.298 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232016573 1376386581 /nfs/dbraw/zinc/38/65/81/1376386581.db2.gz ZZRJUAUFBGESRJ-DZGCQCFKSA-N 2 1 344.459 3.298 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)CC[C@]1(O)C(F)(F)F ZINC001232144646 1376408900 /nfs/dbraw/zinc/40/89/00/1376408900.db2.gz MMXXQWXATDXGHL-BLLLJJGKSA-N 2 1 348.384 3.023 20 0 EGADMP Fc1ccnc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001232494195 1376468455 /nfs/dbraw/zinc/46/84/55/1376468455.db2.gz NHYREQZAWHBKIC-UHFFFAOYSA-N 2 1 340.446 3.104 20 0 EGADMP CC[C@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C)c1ccc(F)cc1 ZINC001134573973 1376603696 /nfs/dbraw/zinc/60/36/96/1376603696.db2.gz JHCWNVADVKJXED-KRWDZBQOSA-N 2 1 346.450 3.003 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH2+]CCC1CCCCC1 ZINC001134611845 1376624849 /nfs/dbraw/zinc/62/48/49/1376624849.db2.gz CRIWXKITEQMEGF-SJORKVTESA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001134767487 1376710379 /nfs/dbraw/zinc/71/03/79/1376710379.db2.gz YSTGBHQMXXFPNQ-FQEVSTJZSA-N 2 1 345.531 3.279 20 0 EGADMP CC(C)Oc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc(OC(C)C)c1 ZINC001235038126 1376836245 /nfs/dbraw/zinc/83/62/45/1376836245.db2.gz UCUIZLJHDWCGNW-HXUWFJFHSA-N 2 1 332.488 3.446 20 0 EGADMP CC(C)Oc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc(OC(C)C)c1 ZINC001235038126 1376836256 /nfs/dbraw/zinc/83/62/56/1376836256.db2.gz UCUIZLJHDWCGNW-HXUWFJFHSA-N 2 1 332.488 3.446 20 0 EGADMP FC(F)(F)c1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1Cl ZINC001235036765 1376837166 /nfs/dbraw/zinc/83/71/66/1376837166.db2.gz NGOIDGHDTJXMGL-IUODEOHRSA-N 2 1 348.796 3.169 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020074 1376851048 /nfs/dbraw/zinc/85/10/48/1376851048.db2.gz DPHCWOZHHYYMCN-HZPDHXFCSA-N 2 1 348.535 3.071 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CC1CCC(C)(C)CC1)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235338204 1376868506 /nfs/dbraw/zinc/86/85/06/1376868506.db2.gz VQRLBDQTRMLJHN-RTBURBONSA-N 2 1 349.563 3.076 20 0 EGADMP Clc1ccc2c(c1)n[nH]c2C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431228 1376871778 /nfs/dbraw/zinc/87/17/78/1376871778.db2.gz YZWKEQAMFDYYSJ-KGLIPLIRSA-N 2 1 332.879 3.428 20 0 EGADMP Cc1ccc2c(n1)N(CC1CC1)CC[N@H+](Cc1cccc(C[NH3+])c1)C2 ZINC001235633111 1376881802 /nfs/dbraw/zinc/88/18/02/1376881802.db2.gz PHONAMXWCKMYIE-UHFFFAOYSA-N 2 1 336.483 3.081 20 0 EGADMP [NH3+]CCCC[N@H+]1CCCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC001235883907 1376909261 /nfs/dbraw/zinc/90/92/61/1376909261.db2.gz BNJODHMLXIACQC-UHFFFAOYSA-N 2 1 338.908 3.201 20 0 EGADMP Fc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235942042 1376921127 /nfs/dbraw/zinc/92/11/27/1376921127.db2.gz XUFKPUBUGOXHAX-MJGOQNOKSA-N 2 1 340.442 3.446 20 0 EGADMP Fc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235942042 1376921136 /nfs/dbraw/zinc/92/11/36/1376921136.db2.gz XUFKPUBUGOXHAX-MJGOQNOKSA-N 2 1 340.442 3.446 20 0 EGADMP [NH3+]C1CN([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C2)C1 ZINC001236074522 1376931407 /nfs/dbraw/zinc/93/14/07/1376931407.db2.gz ZSXLYJNYRCNQRH-QGZVFWFLSA-N 2 1 345.874 3.207 20 0 EGADMP COc1c(Br)cc(C)cc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236228707 1376942543 /nfs/dbraw/zinc/94/25/43/1376942543.db2.gz YEGOGMKFKQSIKD-UHFFFAOYSA-N 2 1 341.293 3.340 20 0 EGADMP COc1c(Br)cc(C)cc1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236228707 1376942552 /nfs/dbraw/zinc/94/25/52/1376942552.db2.gz YEGOGMKFKQSIKD-UHFFFAOYSA-N 2 1 341.293 3.340 20 0 EGADMP COc1nc(Cl)ccc1C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001237244148 1376978308 /nfs/dbraw/zinc/97/83/08/1376978308.db2.gz MBOZABJSTOQKPV-UHFFFAOYSA-N 2 1 337.895 3.297 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3C3CCOCC3)C2)CC1 ZINC001237908212 1376989691 /nfs/dbraw/zinc/98/96/91/1376989691.db2.gz HACFEXWSQQXDSC-UHFFFAOYSA-N 2 1 328.500 3.498 20 0 EGADMP CC(C)CCNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246296567 1377051283 /nfs/dbraw/zinc/05/12/83/1377051283.db2.gz SANWSTJAQBWMQZ-SQNIBIBYSA-N 2 1 339.568 3.320 20 0 EGADMP CC(C)[C@H]1C[C@H]([N@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)CC[NH2+]1 ZINC001246724923 1377053566 /nfs/dbraw/zinc/05/35/66/1377053566.db2.gz ZWGLDFMVYMYZAW-UKAVVXHISA-N 2 1 343.515 3.339 20 0 EGADMP Clc1ccc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1 ZINC001247908320 1377065304 /nfs/dbraw/zinc/06/53/04/1377065304.db2.gz YHPGBASSAUWNCE-AWEZNQCLSA-N 2 1 346.862 3.321 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc5n4CCC5)C[C@@H]3C2)cc1 ZINC001248821508 1377071612 /nfs/dbraw/zinc/07/16/12/1377071612.db2.gz CORWEQGAQYWTNN-BGYRXZFFSA-N 2 1 335.495 3.307 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc5n4CCC5)C[C@@H]3C2)cc1 ZINC001248821508 1377071614 /nfs/dbraw/zinc/07/16/14/1377071614.db2.gz CORWEQGAQYWTNN-BGYRXZFFSA-N 2 1 335.495 3.307 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc5n4CCC5)C[C@@H]3C2)cc1 ZINC001248821508 1377071616 /nfs/dbraw/zinc/07/16/16/1377071616.db2.gz CORWEQGAQYWTNN-BGYRXZFFSA-N 2 1 335.495 3.307 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc5n4CCC5)C[C@@H]3C2)cc1 ZINC001248821508 1377071617 /nfs/dbraw/zinc/07/16/17/1377071617.db2.gz CORWEQGAQYWTNN-BGYRXZFFSA-N 2 1 335.495 3.307 20 0 EGADMP CCCC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC001252395194 1377089349 /nfs/dbraw/zinc/08/93/49/1377089349.db2.gz YEJHXEUIPLHLGV-LJQANCHMSA-N 2 1 344.499 3.291 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc(CCC)cc1 ZINC001135436815 1377096760 /nfs/dbraw/zinc/09/67/60/1377096760.db2.gz ARWNCROHFQPIGF-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3F)CC2)CC1 ZINC001254508615 1377105212 /nfs/dbraw/zinc/10/52/12/1377105212.db2.gz KKWWBJSKNQGXTF-KRWDZBQOSA-N 2 1 337.458 3.003 20 0 EGADMP COc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCC[NH+](C)CC1 ZINC001254510418 1377105927 /nfs/dbraw/zinc/10/59/27/1377105927.db2.gz OBQFBWRIAKTFTD-UFYCRDLUSA-N 3 1 345.531 3.251 20 0 EGADMP COc1ccccc1C[NH+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254510418 1377105929 /nfs/dbraw/zinc/10/59/29/1377105929.db2.gz OBQFBWRIAKTFTD-UFYCRDLUSA-N 3 1 345.531 3.251 20 0 EGADMP COc1ccccc1C[NH+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254510418 1377105931 /nfs/dbraw/zinc/10/59/31/1377105931.db2.gz OBQFBWRIAKTFTD-UFYCRDLUSA-N 3 1 345.531 3.251 20 0 EGADMP COc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCN(C)CC1 ZINC001254510418 1377105932 /nfs/dbraw/zinc/10/59/32/1377105932.db2.gz OBQFBWRIAKTFTD-UFYCRDLUSA-N 2 1 345.531 3.251 20 0 EGADMP COc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCN(C)CC1 ZINC001254510418 1377105935 /nfs/dbraw/zinc/10/59/35/1377105935.db2.gz OBQFBWRIAKTFTD-UFYCRDLUSA-N 2 1 345.531 3.251 20 0 EGADMP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254528762 1377106669 /nfs/dbraw/zinc/10/66/69/1377106669.db2.gz HYQANNLRRVIQRK-DLBZAZTESA-N 2 1 339.524 3.192 20 0 EGADMP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254528762 1377106671 /nfs/dbraw/zinc/10/66/71/1377106671.db2.gz HYQANNLRRVIQRK-DLBZAZTESA-N 2 1 339.524 3.192 20 0 EGADMP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254528762 1377106673 /nfs/dbraw/zinc/10/66/73/1377106673.db2.gz HYQANNLRRVIQRK-DLBZAZTESA-N 2 1 339.524 3.192 20 0 EGADMP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254528762 1377106675 /nfs/dbraw/zinc/10/66/75/1377106675.db2.gz HYQANNLRRVIQRK-DLBZAZTESA-N 2 1 339.524 3.192 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)[C@H]1CCC[NH+](C)CC1 ZINC001254527987 1377107427 /nfs/dbraw/zinc/10/74/27/1377107427.db2.gz AJQSONYOYFBGMC-JBACZVJFSA-N 2 1 329.532 3.313 20 0 EGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1N(C)[C@H]1CCC[N@H+](C)CC1 ZINC001254527987 1377107429 /nfs/dbraw/zinc/10/74/29/1377107429.db2.gz AJQSONYOYFBGMC-JBACZVJFSA-N 2 1 329.532 3.313 20 0 EGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1N(C)[C@H]1CCC[N@@H+](C)CC1 ZINC001254527987 1377107431 /nfs/dbraw/zinc/10/74/31/1377107431.db2.gz AJQSONYOYFBGMC-JBACZVJFSA-N 2 1 329.532 3.313 20 0 EGADMP C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH+](C)[C@H]1CCC[N@H+](C)CC1 ZINC001254527987 1377107438 /nfs/dbraw/zinc/10/74/38/1377107438.db2.gz AJQSONYOYFBGMC-JBACZVJFSA-N 2 1 329.532 3.313 20 0 EGADMP C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH+](C)[C@H]1CCC[N@@H+](C)CC1 ZINC001254527987 1377107441 /nfs/dbraw/zinc/10/74/41/1377107441.db2.gz AJQSONYOYFBGMC-JBACZVJFSA-N 2 1 329.532 3.313 20 0 EGADMP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+]2CCC(C)(C)C2)cc1 ZINC001135468153 1377107593 /nfs/dbraw/zinc/10/75/93/1377107593.db2.gz MZTSKVHEJGYKMJ-QZTJIDSGSA-N 2 1 345.531 3.100 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC1CCCC1 ZINC001135475480 1377110341 /nfs/dbraw/zinc/11/03/41/1377110341.db2.gz BDUFOHLMQRDGQC-CVEARBPZSA-N 2 1 325.541 3.027 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477189 1377110487 /nfs/dbraw/zinc/11/04/87/1377110487.db2.gz SDJBUPMZSJAUFB-HZPDHXFCSA-N 2 1 325.541 3.027 20 0 EGADMP Cc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001135477909 1377111743 /nfs/dbraw/zinc/11/17/43/1377111743.db2.gz XJRTYGRFGQBUBM-ROUUACIJSA-N 2 1 347.547 3.346 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CCC1CCCC1 ZINC001135481801 1377114111 /nfs/dbraw/zinc/11/41/11/1377114111.db2.gz XQOWVCZOIAQMQK-SJORKVTESA-N 2 1 339.568 3.418 20 0 EGADMP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481560 1377114118 /nfs/dbraw/zinc/11/41/18/1377114118.db2.gz VMTLWIYTVRAIEI-RBUKOAKNSA-N 2 1 345.531 3.000 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001135584160 1377155050 /nfs/dbraw/zinc/15/50/50/1377155050.db2.gz LBEWEMGXXGXZEH-CVEARBPZSA-N 2 1 348.535 3.316 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCCC1 ZINC001135600219 1377158998 /nfs/dbraw/zinc/15/89/98/1377158998.db2.gz IYGXORVJASCSCZ-DLBZAZTESA-N 2 1 348.535 3.460 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC1CCC1 ZINC001135678015 1377180909 /nfs/dbraw/zinc/18/09/09/1377180909.db2.gz AFOBAXBMJHWJGW-SJORKVTESA-N 2 1 348.535 3.425 20 0 EGADMP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135680460 1377181912 /nfs/dbraw/zinc/18/19/12/1377181912.db2.gz WEFKBRQHBGOKPK-IRXDYDNUSA-N 2 1 336.524 3.425 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCc1ccccc1 ZINC001135861860 1377238774 /nfs/dbraw/zinc/23/87/74/1377238774.db2.gz YIUVIMHLCQJOAX-RBUKOAKNSA-N 2 1 347.547 3.224 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCc1ccccc1 ZINC001135861861 1377238826 /nfs/dbraw/zinc/23/88/26/1377238826.db2.gz YIUVIMHLCQJOAX-RTBURBONSA-N 2 1 347.547 3.224 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCc2ccccc2C[NH+](CC)CC)C1 ZINC001135962648 1377278482 /nfs/dbraw/zinc/27/84/82/1377278482.db2.gz ALOFDSHQABQZMU-HXUWFJFHSA-N 2 1 345.531 3.267 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135976320 1377284750 /nfs/dbraw/zinc/28/47/50/1377284750.db2.gz IXJLDHVKXGNCKJ-ROUUACIJSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1 ZINC001135995413 1377291697 /nfs/dbraw/zinc/29/16/97/1377291697.db2.gz FAPNTANWPVOKMH-RTBURBONSA-N 2 1 347.547 3.224 20 0 EGADMP CCC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995548 1377292304 /nfs/dbraw/zinc/29/23/04/1377292304.db2.gz HRTAJGNQQMZXNV-XRZRDHLVSA-N 2 1 325.541 3.338 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001266546869 1377330218 /nfs/dbraw/zinc/33/02/18/1377330218.db2.gz YLOAGFIVEUFFQL-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC001266546869 1377330219 /nfs/dbraw/zinc/33/02/19/1377330219.db2.gz YLOAGFIVEUFFQL-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001266546869 1377330220 /nfs/dbraw/zinc/33/02/20/1377330220.db2.gz YLOAGFIVEUFFQL-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC001136465384 1377395332 /nfs/dbraw/zinc/39/53/32/1377395332.db2.gz MAZNRHSBRPELOU-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001267090248 1377411830 /nfs/dbraw/zinc/41/18/30/1377411830.db2.gz IAJNMOZXFGHGOO-UXHICEINSA-N 2 1 345.531 3.108 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001136759397 1377420549 /nfs/dbraw/zinc/42/05/49/1377420549.db2.gz DMJYYGLUEPVTDD-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP COc1ncc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1C ZINC001137001686 1377454123 /nfs/dbraw/zinc/45/41/23/1377454123.db2.gz VBONPFAFUTYNIX-CALCHBBNSA-N 2 1 343.496 3.024 20 0 EGADMP COC(=O)c1ccc(OC)c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001137247914 1377504149 /nfs/dbraw/zinc/50/41/49/1377504149.db2.gz ZDZLMJXNVSIRMX-UHFFFAOYSA-N 2 1 348.487 3.034 20 0 EGADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cscn1)CC2 ZINC001137593796 1377568737 /nfs/dbraw/zinc/56/87/37/1377568737.db2.gz LYPJAYQRAYTJCI-UHFFFAOYSA-N 2 1 342.512 3.415 20 0 EGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cscn1)CC2 ZINC001137593796 1377568740 /nfs/dbraw/zinc/56/87/40/1377568740.db2.gz LYPJAYQRAYTJCI-UHFFFAOYSA-N 2 1 342.512 3.415 20 0 EGADMP CN(CC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1)C(=O)CCC[NH+](C)C ZINC001272093128 1377656103 /nfs/dbraw/zinc/65/61/03/1377656103.db2.gz NBNAOQNGMUOLEL-UHFFFAOYSA-N 2 1 347.547 3.216 20 0 EGADMP Cc1nccn1-c1ccc(C[N@@H+](CCO)Cc2cccs2)cc1 ZINC001138547049 1377740125 /nfs/dbraw/zinc/74/01/25/1377740125.db2.gz CMXZMEKWIZCTRZ-UHFFFAOYSA-N 2 1 327.453 3.237 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](CCO)Cc2cccs2)cc1 ZINC001138547049 1377740126 /nfs/dbraw/zinc/74/01/26/1377740126.db2.gz CMXZMEKWIZCTRZ-UHFFFAOYSA-N 2 1 327.453 3.237 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](CCO)Cc2cccs2)cc1 ZINC001138547049 1377740127 /nfs/dbraw/zinc/74/01/27/1377740127.db2.gz CMXZMEKWIZCTRZ-UHFFFAOYSA-N 2 1 327.453 3.237 20 0 EGADMP CCCn1ncc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1C ZINC001138634798 1377758525 /nfs/dbraw/zinc/75/85/25/1377758525.db2.gz HXONWVQOCWATQX-HDICACEKSA-N 2 1 344.528 3.227 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cnc5[nH]ccc5c4)C[C@H]3C2)cc1 ZINC001138744930 1377778995 /nfs/dbraw/zinc/77/89/95/1377778995.db2.gz ZCDJCCRVZSMVGT-NHCUHLMSSA-N 2 1 346.478 3.435 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001138850218 1377794846 /nfs/dbraw/zinc/79/48/46/1377794846.db2.gz UQYSZVCLFAPJRF-UHFFFAOYSA-N 2 1 346.393 3.367 20 0 EGADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001139100055 1377829652 /nfs/dbraw/zinc/82/96/52/1377829652.db2.gz PXNOJDVYBNAEDD-UXHICEINSA-N 2 1 338.499 3.371 20 0 EGADMP CN1CCC([N@@H+](C)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC001139963987 1377984468 /nfs/dbraw/zinc/98/44/68/1377984468.db2.gz FQRTZORUNBSACL-UHFFFAOYSA-N 2 1 336.277 3.456 20 0 EGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4ccc(OCC)cc34)C[C@@H]2C1 ZINC001140273431 1378038827 /nfs/dbraw/zinc/03/88/27/1378038827.db2.gz GNWCYWWCWKAEIY-CALCHBBNSA-N 2 1 327.472 3.340 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4ccc(OCC)cc34)C[C@@H]2C1 ZINC001140273431 1378038829 /nfs/dbraw/zinc/03/88/29/1378038829.db2.gz GNWCYWWCWKAEIY-CALCHBBNSA-N 2 1 327.472 3.340 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c4ccc(OCC)cc34)C[C@@H]2C1 ZINC001140273431 1378038831 /nfs/dbraw/zinc/03/88/31/1378038831.db2.gz GNWCYWWCWKAEIY-CALCHBBNSA-N 2 1 327.472 3.340 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]c4ccc(OCC)cc34)C[C@@H]2C1 ZINC001140273431 1378038833 /nfs/dbraw/zinc/03/88/33/1378038833.db2.gz GNWCYWWCWKAEIY-CALCHBBNSA-N 2 1 327.472 3.340 20 0 EGADMP Cn1cnc2cc(C[NH+]3CCC4(CCC[N@@H+]4CC4CC4)CC3)ccc21 ZINC001140507074 1378075305 /nfs/dbraw/zinc/07/53/05/1378075305.db2.gz OSXYFMJMVYCASJ-UHFFFAOYSA-N 2 1 338.499 3.414 20 0 EGADMP Cn1cnc2cc(C[NH+]3CCC4(CCC[N@H+]4CC4CC4)CC3)ccc21 ZINC001140507074 1378075310 /nfs/dbraw/zinc/07/53/10/1378075310.db2.gz OSXYFMJMVYCASJ-UHFFFAOYSA-N 2 1 338.499 3.414 20 0 EGADMP Cn1cnc2cc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)ccc21 ZINC001140507736 1378075491 /nfs/dbraw/zinc/07/54/91/1378075491.db2.gz PFAUDQYIDZUKMF-SFHVURJKSA-N 2 1 326.488 3.414 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC2(CCC[N@H+](C3CCCC3)C2)CC1)[NH+](C)C ZINC001272608735 1378075794 /nfs/dbraw/zinc/07/57/94/1378075794.db2.gz WGZTWDICFDVOEF-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001140597177 1378094387 /nfs/dbraw/zinc/09/43/87/1378094387.db2.gz CNDFYHYSCIADLN-UHFFFAOYSA-N 2 1 349.519 3.485 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001140597177 1378094390 /nfs/dbraw/zinc/09/43/90/1378094390.db2.gz CNDFYHYSCIADLN-UHFFFAOYSA-N 2 1 349.519 3.485 20 0 EGADMP OCc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001140684193 1378114296 /nfs/dbraw/zinc/11/42/96/1378114296.db2.gz GYTNPSNNDDPORA-MOPGFXCFSA-N 2 1 340.467 3.116 20 0 EGADMP OCc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001140684193 1378114302 /nfs/dbraw/zinc/11/43/02/1378114302.db2.gz GYTNPSNNDDPORA-MOPGFXCFSA-N 2 1 340.467 3.116 20 0 EGADMP OCc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001140684193 1378114307 /nfs/dbraw/zinc/11/43/07/1378114307.db2.gz GYTNPSNNDDPORA-MOPGFXCFSA-N 2 1 340.467 3.116 20 0 EGADMP Cc1cc(F)ccc1CN1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140777791 1378134130 /nfs/dbraw/zinc/13/41/30/1378134130.db2.gz FWOJZHFRERAQIY-ROUUACIJSA-N 2 1 325.431 3.093 20 0 EGADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2cc(Br)cnc12 ZINC001275164548 1378136318 /nfs/dbraw/zinc/13/63/18/1378136318.db2.gz NQWHPEVNCQOJOH-AGUYFDCRSA-N 2 1 349.276 3.040 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140806376 1378145793 /nfs/dbraw/zinc/14/57/93/1378145793.db2.gz HRIFQRDUESNPQC-OCCSQVGLSA-N 2 1 330.432 3.050 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140806376 1378145801 /nfs/dbraw/zinc/14/58/01/1378145801.db2.gz HRIFQRDUESNPQC-OCCSQVGLSA-N 2 1 330.432 3.050 20 0 EGADMP CS[C@H](C)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001276470764 1378174183 /nfs/dbraw/zinc/17/41/83/1378174183.db2.gz RZOPLRIDSFTIFX-ZACQAIPSSA-N 2 1 349.544 3.073 20 0 EGADMP CS[C@H](C)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001276470764 1378174188 /nfs/dbraw/zinc/17/41/88/1378174188.db2.gz RZOPLRIDSFTIFX-ZACQAIPSSA-N 2 1 349.544 3.073 20 0 EGADMP CS[C@H](C)CC[NH+]1C[C@@H]2CC[N@H+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001276470764 1378174191 /nfs/dbraw/zinc/17/41/91/1378174191.db2.gz RZOPLRIDSFTIFX-ZACQAIPSSA-N 2 1 349.544 3.073 20 0 EGADMP C[N@H+]1CCC2(C1)CCN(C[C@H]1CCCC[NH+]1Cc1ccccc1)CC2 ZINC001276491898 1378175890 /nfs/dbraw/zinc/17/58/90/1378175890.db2.gz ODKSVWNNJGGEHH-OAQYLSRUSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC2(C1)CCN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)CC2 ZINC001276491898 1378175892 /nfs/dbraw/zinc/17/58/92/1378175892.db2.gz ODKSVWNNJGGEHH-OAQYLSRUSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC2(C1)CCN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)CC2 ZINC001276491898 1378175894 /nfs/dbraw/zinc/17/58/94/1378175894.db2.gz ODKSVWNNJGGEHH-OAQYLSRUSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(CN2CC3(C2)CC[N@H+](C2CCCC2)C3)c1 ZINC001276577084 1378180454 /nfs/dbraw/zinc/18/04/54/1378180454.db2.gz SVKWHCGGXHUKSJ-UHFFFAOYSA-N 2 1 345.506 3.338 20 0 EGADMP Cc1cc(OC(F)(F)F)ccc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001140962102 1378194205 /nfs/dbraw/zinc/19/42/05/1378194205.db2.gz ZWTUKEYMYSAHOG-CABCVRRESA-N 2 1 328.378 3.277 20 0 EGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001140962102 1378194209 /nfs/dbraw/zinc/19/42/09/1378194209.db2.gz ZWTUKEYMYSAHOG-CABCVRRESA-N 2 1 328.378 3.277 20 0 EGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001140962102 1378194213 /nfs/dbraw/zinc/19/42/13/1378194213.db2.gz ZWTUKEYMYSAHOG-CABCVRRESA-N 2 1 328.378 3.277 20 0 EGADMP Cc1cc([C@@H]2CCC[N@H+]2Cc2ccccc2N2CC[NH+](C)CC2)no1 ZINC001140969209 1378195645 /nfs/dbraw/zinc/19/56/45/1378195645.db2.gz YZKMRGYIABUQNO-FQEVSTJZSA-N 2 1 340.471 3.072 20 0 EGADMP Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2N2CC[NH+](C)CC2)no1 ZINC001140969209 1378195652 /nfs/dbraw/zinc/19/56/52/1378195652.db2.gz YZKMRGYIABUQNO-FQEVSTJZSA-N 2 1 340.471 3.072 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC001140974322 1378197708 /nfs/dbraw/zinc/19/77/08/1378197708.db2.gz ZRWWHOWYUOGJCA-FQEVSTJZSA-N 2 1 336.483 3.171 20 0 EGADMP Cc1ncoc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001141056771 1378223450 /nfs/dbraw/zinc/22/34/50/1378223450.db2.gz DMWXHPUJTFRTCD-MOPGFXCFSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1ncoc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001141056771 1378223451 /nfs/dbraw/zinc/22/34/51/1378223451.db2.gz DMWXHPUJTFRTCD-MOPGFXCFSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1ncoc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001141056771 1378223458 /nfs/dbraw/zinc/22/34/58/1378223458.db2.gz DMWXHPUJTFRTCD-MOPGFXCFSA-N 2 1 325.456 3.327 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@]2(CC[NH+](CCC3CCCC3)C2)C1 ZINC001277537689 1378234007 /nfs/dbraw/zinc/23/40/07/1378234007.db2.gz JTECPUDIGGBOTO-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@]2(CC[N@H+](CCC3CCCC3)C2)C1 ZINC001277537689 1378234013 /nfs/dbraw/zinc/23/40/13/1378234013.db2.gz JTECPUDIGGBOTO-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@]2(CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001277537689 1378234017 /nfs/dbraw/zinc/23/40/17/1378234017.db2.gz JTECPUDIGGBOTO-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP COc1ccc(C(F)(F)F)cc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001141203547 1378268748 /nfs/dbraw/zinc/26/87/48/1378268748.db2.gz OBEYGNMEPNPDMN-UHFFFAOYSA-N 2 1 328.378 3.242 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC001141284565 1378291080 /nfs/dbraw/zinc/29/10/80/1378291080.db2.gz DDPGOFBITHNPTK-PMACEKPBSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001142209849 1378420498 /nfs/dbraw/zinc/42/04/98/1378420498.db2.gz WQJKVYZTHCKPKP-ROUUACIJSA-N 2 1 330.472 3.025 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]c4cc(Br)ccc34)C2)C1 ZINC001142404825 1378440126 /nfs/dbraw/zinc/44/01/26/1378440126.db2.gz ICBKDKOADGKTLF-QGZVFWFLSA-N 2 1 348.288 3.458 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c[nH]c4cc(Br)ccc34)C2)C1 ZINC001142404825 1378440132 /nfs/dbraw/zinc/44/01/32/1378440132.db2.gz ICBKDKOADGKTLF-QGZVFWFLSA-N 2 1 348.288 3.458 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c[nH]c4cc(Br)ccc34)C2)C1 ZINC001142404825 1378440134 /nfs/dbraw/zinc/44/01/34/1378440134.db2.gz ICBKDKOADGKTLF-QGZVFWFLSA-N 2 1 348.288 3.458 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4cccc5n[nH]cc54)C[C@@H]3C2)c1 ZINC001143088884 1378536446 /nfs/dbraw/zinc/53/64/46/1378536446.db2.gz BVUYZNAGPKNJGO-HZPDHXFCSA-N 2 1 338.480 3.188 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1Cl ZINC001146595073 1378874786 /nfs/dbraw/zinc/87/47/86/1378874786.db2.gz WTNARBJGXGGBNJ-GJZGRUSLSA-N 2 1 339.911 3.053 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001146594823 1378874797 /nfs/dbraw/zinc/87/47/97/1378874797.db2.gz VFSZOQIIOPKRFE-GJZGRUSLSA-N 2 1 339.911 3.053 20 0 EGADMP CC(C)[C@@H](C(=O)NCc1ccc2c(c1)C[N@H+](CCC1CC1)C2)[NH+](C)C ZINC001327685802 1388581316 /nfs/dbraw/zinc/58/13/16/1388581316.db2.gz RKSVQBQQRDAJCV-FQEVSTJZSA-N 2 1 343.515 3.005 20 0 EGADMP CC/C=C/CC[N@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc2C1 ZINC001327686282 1388582424 /nfs/dbraw/zinc/58/24/24/1388582424.db2.gz YSGWQODGFKYBBS-AQKVLALTSA-N 2 1 343.515 3.315 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001147358331 1379008137 /nfs/dbraw/zinc/00/81/37/1379008137.db2.gz GFLBUJWMZNDMSO-FQEVSTJZSA-N 2 1 345.531 3.164 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCc2ccccc21 ZINC001147359728 1379008987 /nfs/dbraw/zinc/00/89/87/1379008987.db2.gz URHKYPGOYQYZLG-UXHICEINSA-N 2 1 343.515 3.034 20 0 EGADMP CCC/C=C/CC[NH2+]CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001147456947 1379025432 /nfs/dbraw/zinc/02/54/32/1379025432.db2.gz AHDWKWCYVHVHGP-UCFODXPJSA-N 2 1 331.504 3.132 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH2+]CCCC1CCCC1)c1ccccc1 ZINC001147456980 1379025583 /nfs/dbraw/zinc/02/55/83/1379025583.db2.gz BFSVTSDVRSKHGY-FQEVSTJZSA-N 2 1 345.531 3.356 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541334 1379039124 /nfs/dbraw/zinc/03/91/24/1379039124.db2.gz MLZREPQVURUSPN-OALUTQOASA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147541334 1379039134 /nfs/dbraw/zinc/03/91/34/1379039134.db2.gz MLZREPQVURUSPN-OALUTQOASA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147541334 1379039135 /nfs/dbraw/zinc/03/91/35/1379039135.db2.gz MLZREPQVURUSPN-OALUTQOASA-N 2 1 349.563 3.076 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001147716302 1379064431 /nfs/dbraw/zinc/06/44/31/1379064431.db2.gz DNEPUKYGQULGRF-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001147716302 1379064434 /nfs/dbraw/zinc/06/44/34/1379064434.db2.gz DNEPUKYGQULGRF-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001147716302 1379064440 /nfs/dbraw/zinc/06/44/40/1379064440.db2.gz DNEPUKYGQULGRF-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC001147774160 1379076377 /nfs/dbraw/zinc/07/63/77/1379076377.db2.gz RPYMPTXDKUTDBE-OALUTQOASA-N 2 1 347.547 3.118 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)C1 ZINC001147774160 1379076387 /nfs/dbraw/zinc/07/63/87/1379076387.db2.gz RPYMPTXDKUTDBE-OALUTQOASA-N 2 1 347.547 3.118 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)C1 ZINC001147774160 1379076391 /nfs/dbraw/zinc/07/63/91/1379076391.db2.gz RPYMPTXDKUTDBE-OALUTQOASA-N 2 1 347.547 3.118 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001283691227 1379120388 /nfs/dbraw/zinc/12/03/88/1379120388.db2.gz AQRZKZOMCGUJCD-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313814 1380053078 /nfs/dbraw/zinc/05/30/78/1380053078.db2.gz XOVOASYUORGVRO-APWZRJJASA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153313814 1380053084 /nfs/dbraw/zinc/05/30/84/1380053084.db2.gz XOVOASYUORGVRO-APWZRJJASA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153313814 1380053090 /nfs/dbraw/zinc/05/30/90/1380053090.db2.gz XOVOASYUORGVRO-APWZRJJASA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824193 1380137479 /nfs/dbraw/zinc/13/74/79/1380137479.db2.gz OHPVCSRFDVJBBR-APWZRJJASA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116010 1380211951 /nfs/dbraw/zinc/21/19/51/1380211951.db2.gz BUJQZDYGMLUHST-OAHLLOKOSA-N 2 1 342.487 3.273 20 0 EGADMP CC[N@@H+](Cc1csc(C)c1)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167566 1380219740 /nfs/dbraw/zinc/21/97/40/1380219740.db2.gz KUWPECSOOWCZEW-OAHLLOKOSA-N 2 1 349.544 3.012 20 0 EGADMP CC[N@@H+](CC[C@@H](C)F)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464510 1380283012 /nfs/dbraw/zinc/28/30/12/1380283012.db2.gz NOEDPOBXEWPYEB-IAGOWNOFSA-N 2 1 343.531 3.216 20 0 EGADMP CC[NH+](CC[C@@H](C)F)[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001154464510 1380283014 /nfs/dbraw/zinc/28/30/14/1380283014.db2.gz NOEDPOBXEWPYEB-IAGOWNOFSA-N 2 1 343.531 3.216 20 0 EGADMP CC[NH+](CC[C@@H](C)F)[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001154464510 1380283016 /nfs/dbraw/zinc/28/30/16/1380283016.db2.gz NOEDPOBXEWPYEB-IAGOWNOFSA-N 2 1 343.531 3.216 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580665 1380310240 /nfs/dbraw/zinc/31/02/40/1380310240.db2.gz ZLIIYGWBQPJZPQ-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580292 1380310271 /nfs/dbraw/zinc/31/02/71/1380310271.db2.gz SGUVEJGQPLPYID-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC1=CCCCC1)[NH+](CC)CC ZINC001155175596 1380419665 /nfs/dbraw/zinc/41/96/65/1380419665.db2.gz YQGUMKPVBOVBTG-IEBWSBKVSA-N 2 1 337.552 3.434 20 0 EGADMP C[C@@H]([NH3+])c1ccc2c(ccn2-c2nc(Cl)nc3c2C[N@@H+](C)CC3)c1 ZINC001155346677 1380440410 /nfs/dbraw/zinc/44/04/10/1380440410.db2.gz LNLCLFFMMCOQEJ-LLVKDONJSA-N 2 1 341.846 3.082 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155839189 1380497938 /nfs/dbraw/zinc/49/79/38/1380497938.db2.gz QRNRITMUITUGSZ-QGZVFWFLSA-N 2 1 333.520 3.235 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC1CCC1 ZINC001155878122 1380501815 /nfs/dbraw/zinc/50/18/15/1380501815.db2.gz UIQCTAYRSQGVQP-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC1CCC1 ZINC001155878122 1380501816 /nfs/dbraw/zinc/50/18/16/1380501816.db2.gz UIQCTAYRSQGVQP-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC1 ZINC001155878122 1380501817 /nfs/dbraw/zinc/50/18/17/1380501817.db2.gz UIQCTAYRSQGVQP-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155994281 1380511697 /nfs/dbraw/zinc/51/16/97/1380511697.db2.gz PHSLBOIJTJJRND-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131094 1380529178 /nfs/dbraw/zinc/52/91/78/1380529178.db2.gz DERXOZJKDFWLRR-QGZVFWFLSA-N 2 1 339.568 3.370 20 0 EGADMP CC[NH+](Cc1ccccc1C1CC1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156193542 1380539435 /nfs/dbraw/zinc/53/94/35/1380539435.db2.gz BYGLWQQOGIMXLP-QGZVFWFLSA-N 2 1 345.531 3.232 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1C1CC1 ZINC001156193542 1380539436 /nfs/dbraw/zinc/53/94/36/1380539436.db2.gz BYGLWQQOGIMXLP-QGZVFWFLSA-N 2 1 345.531 3.232 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1C1CC1 ZINC001156193542 1380539438 /nfs/dbraw/zinc/53/94/38/1380539438.db2.gz BYGLWQQOGIMXLP-QGZVFWFLSA-N 2 1 345.531 3.232 20 0 EGADMP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156200877 1380541574 /nfs/dbraw/zinc/54/15/74/1380541574.db2.gz SCMKIMTYRCDTAD-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CCC1CCCCC1 ZINC001156200877 1380541576 /nfs/dbraw/zinc/54/15/76/1380541576.db2.gz SCMKIMTYRCDTAD-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CCC1CCCCC1 ZINC001156200877 1380541579 /nfs/dbraw/zinc/54/15/79/1380541579.db2.gz SCMKIMTYRCDTAD-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CN(C)c1cc[nH+]c(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001156315371 1380556969 /nfs/dbraw/zinc/55/69/69/1380556969.db2.gz BEPAKDYBHQDBSE-DFQSSKMNSA-N 2 1 336.483 3.470 20 0 EGADMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1sccc1Cl ZINC001156525262 1380588107 /nfs/dbraw/zinc/58/81/07/1380588107.db2.gz MHTRHWMOPINWOD-CYBMUJFWSA-N 2 1 345.940 3.070 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1sccc1Cl ZINC001156525262 1380588108 /nfs/dbraw/zinc/58/81/08/1380588108.db2.gz MHTRHWMOPINWOD-CYBMUJFWSA-N 2 1 345.940 3.070 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1sccc1Cl ZINC001156525262 1380588109 /nfs/dbraw/zinc/58/81/09/1380588109.db2.gz MHTRHWMOPINWOD-CYBMUJFWSA-N 2 1 345.940 3.070 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1sccc1Cl ZINC001156525262 1380588110 /nfs/dbraw/zinc/58/81/10/1380588110.db2.gz MHTRHWMOPINWOD-CYBMUJFWSA-N 2 1 345.940 3.070 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156960957 1380738573 /nfs/dbraw/zinc/73/85/73/1380738573.db2.gz AMTDHASWLWMDJF-GOSISDBHSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@@H+](Cc1ccccc1F)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157108687 1380776777 /nfs/dbraw/zinc/77/67/77/1380776777.db2.gz ANXMKJCQUCHARM-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](Cc1ccccc1F)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001157108687 1380776779 /nfs/dbraw/zinc/77/67/79/1380776779.db2.gz ANXMKJCQUCHARM-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CC[C@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157138263 1380783933 /nfs/dbraw/zinc/78/39/33/1380783933.db2.gz QUNBWQPQAOYJQW-DLBZAZTESA-N 2 1 333.520 3.235 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001157894198 1381063988 /nfs/dbraw/zinc/06/39/88/1381063988.db2.gz UXMNCJSUMIKIGN-IBGZPJMESA-N 2 1 337.552 3.316 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(C)C ZINC001157973551 1381088736 /nfs/dbraw/zinc/08/87/36/1381088736.db2.gz HUJNIBLHQWCVSB-QZTJIDSGSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(C)C ZINC001157973551 1381088742 /nfs/dbraw/zinc/08/87/42/1381088742.db2.gz HUJNIBLHQWCVSB-QZTJIDSGSA-N 2 1 348.535 3.366 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2cc3c(n2)CC[C@H]([NH3+])C3)nc1 ZINC001157987734 1381093980 /nfs/dbraw/zinc/09/39/80/1381093980.db2.gz PYNJGNGDXKCHGV-PKOBYXMFSA-N 2 1 339.487 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@H]1c1ccc(-n2cnc3ccc(C[NH3+])cc32)nc1 ZINC001158012078 1381103237 /nfs/dbraw/zinc/10/32/37/1381103237.db2.gz CWEBPCIZQWBUNC-SFHVURJKSA-N 2 1 335.455 3.426 20 0 EGADMP Cc1ccc2c(c1)cc(Cl)nc2N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158259821 1381175328 /nfs/dbraw/zinc/17/53/28/1381175328.db2.gz ACAAAYPZVFBEAB-OAHLLOKOSA-N 2 1 344.890 3.198 20 0 EGADMP Cc1ccc2c(c1)cc(Cl)nc2N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158259821 1381175332 /nfs/dbraw/zinc/17/53/32/1381175332.db2.gz ACAAAYPZVFBEAB-OAHLLOKOSA-N 2 1 344.890 3.198 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCC2CC2)C1 ZINC001158398378 1381230611 /nfs/dbraw/zinc/23/06/11/1381230611.db2.gz VTZWSSXFINHOOE-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CCC2CC2)C1 ZINC001158398378 1381230613 /nfs/dbraw/zinc/23/06/13/1381230613.db2.gz VTZWSSXFINHOOE-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCC2CC2)C1 ZINC001158398378 1381230616 /nfs/dbraw/zinc/23/06/16/1381230616.db2.gz VTZWSSXFINHOOE-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@H]1C ZINC001158473914 1381256406 /nfs/dbraw/zinc/25/64/06/1381256406.db2.gz QEGFABPCMYESGT-CQQBRXBZSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1C ZINC001158473914 1381256411 /nfs/dbraw/zinc/25/64/11/1381256411.db2.gz QEGFABPCMYESGT-CQQBRXBZSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1C ZINC001158473914 1381256415 /nfs/dbraw/zinc/25/64/15/1381256415.db2.gz QEGFABPCMYESGT-CQQBRXBZSA-N 2 1 335.536 3.140 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CC1)CC(C)(C)C ZINC001158481140 1381261040 /nfs/dbraw/zinc/26/10/40/1381261040.db2.gz ZXGMCEXAWIDZHU-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CCC1CC1)C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001158481140 1381261048 /nfs/dbraw/zinc/26/10/48/1381261048.db2.gz ZXGMCEXAWIDZHU-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CCC1CC1)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001158481140 1381261054 /nfs/dbraw/zinc/26/10/54/1381261054.db2.gz ZXGMCEXAWIDZHU-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480557 1381261483 /nfs/dbraw/zinc/26/14/83/1381261483.db2.gz NYJVOJSPFQAPPD-GOSISDBHSA-N 2 1 339.568 3.323 20 0 EGADMP CC(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001158480557 1381261489 /nfs/dbraw/zinc/26/14/89/1381261489.db2.gz NYJVOJSPFQAPPD-GOSISDBHSA-N 2 1 339.568 3.323 20 0 EGADMP CC(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001158480557 1381261496 /nfs/dbraw/zinc/26/14/96/1381261496.db2.gz NYJVOJSPFQAPPD-GOSISDBHSA-N 2 1 339.568 3.323 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCCCF ZINC001158768135 1381390400 /nfs/dbraw/zinc/39/04/00/1381390400.db2.gz KFDLITVZWUTPFS-GOSISDBHSA-N 2 1 343.531 3.171 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)Cc1ccccc1C ZINC001158787215 1381398448 /nfs/dbraw/zinc/39/84/48/1381398448.db2.gz NIXAGKPPJYMWDR-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccccc1C ZINC001158787215 1381398457 /nfs/dbraw/zinc/39/84/57/1381398457.db2.gz NIXAGKPPJYMWDR-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccccc1C ZINC001158787215 1381398466 /nfs/dbraw/zinc/39/84/66/1381398466.db2.gz NIXAGKPPJYMWDR-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC(C)(C)C ZINC001158872625 1381444619 /nfs/dbraw/zinc/44/46/19/1381444619.db2.gz RVTGKRDREKQOME-GOSISDBHSA-N 2 1 348.535 3.331 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001158872625 1381444622 /nfs/dbraw/zinc/44/46/22/1381444622.db2.gz RVTGKRDREKQOME-GOSISDBHSA-N 2 1 348.535 3.331 20 0 EGADMP Cc1[nH+]c2c(Br)cc(C)cn2c1NC1=CCC[NH2+]CC1 ZINC001159371694 1381780016 /nfs/dbraw/zinc/78/00/16/1381780016.db2.gz KJPNBHHRCJNTBR-UHFFFAOYSA-N 2 1 335.249 3.393 20 0 EGADMP Cc1nc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])cc(N2CCCC2)[nH+]1 ZINC001159590715 1381838769 /nfs/dbraw/zinc/83/87/69/1381838769.db2.gz WOCMFNGMYUMZJG-AWEZNQCLSA-N 2 1 348.454 3.258 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1N(CC1CC[NH2+]CC1)c1ccccc1N ZINC001159894441 1381930982 /nfs/dbraw/zinc/93/09/82/1381930982.db2.gz BOKMAZQHBQBGMA-UHFFFAOYSA-N 2 1 339.487 3.176 20 0 EGADMP Cc1cc(C)cc(C[NH2+]CCCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001159901955 1381932830 /nfs/dbraw/zinc/93/28/30/1381932830.db2.gz QYWAZYAAVHPURG-HXUWFJFHSA-N 2 1 345.531 3.162 20 0 EGADMP C[NH+]1CCC(COc2cccc(F)c2N=C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001160135640 1382011130 /nfs/dbraw/zinc/01/11/30/1382011130.db2.gz ZMOWFNQYKUZMCA-CVEARBPZSA-N 2 1 345.462 3.366 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001160274491 1382058559 /nfs/dbraw/zinc/05/85/59/1382058559.db2.gz UIMRDDSUQPJCKQ-GOSISDBHSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC(CC)CC)CC1 ZINC001160285911 1382062173 /nfs/dbraw/zinc/06/21/73/1382062173.db2.gz LBUVZHHQUNMGRF-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC(CC)CC)CC1 ZINC001160285911 1382062177 /nfs/dbraw/zinc/06/21/77/1382062177.db2.gz LBUVZHHQUNMGRF-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC(CC)CC)CC1 ZINC001160285911 1382062182 /nfs/dbraw/zinc/06/21/82/1382062182.db2.gz LBUVZHHQUNMGRF-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP Nc1ccc2[nH+]c(-c3ccc(F)cc3)cc(NC3=CC[NH2+]CC3)c2c1 ZINC001160359763 1382082828 /nfs/dbraw/zinc/08/28/28/1382082828.db2.gz DNYQEGMBKMNEAS-UHFFFAOYSA-N 2 1 334.398 3.334 20 0 EGADMP c1ccc(C[N@H+]2CCC=C(Nc3cccc4c3[C@H]3C[NH2+]C[C@H]3O4)C2)cc1 ZINC001160394261 1382092615 /nfs/dbraw/zinc/09/26/15/1382092615.db2.gz GTBZYJMNJAKCNF-GHTZIAJQSA-N 2 1 347.462 3.336 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001160400719 1382094766 /nfs/dbraw/zinc/09/47/66/1382094766.db2.gz WLPOSYCAMQEXCF-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001160400719 1382094768 /nfs/dbraw/zinc/09/47/68/1382094768.db2.gz WLPOSYCAMQEXCF-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001160400719 1382094772 /nfs/dbraw/zinc/09/47/72/1382094772.db2.gz WLPOSYCAMQEXCF-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)[C@@H](C(=O)NCCC1=CC[N@@H+](CC2CCCCC2)CC1)[NH+](C)C ZINC001160407180 1382096214 /nfs/dbraw/zinc/09/62/14/1382096214.db2.gz YCQWQZDYERPTAM-FQEVSTJZSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160467892 1382114771 /nfs/dbraw/zinc/11/47/71/1382114771.db2.gz YPMUQGWWMDQLSK-WOJBJXKFSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160467892 1382114774 /nfs/dbraw/zinc/11/47/74/1382114774.db2.gz YPMUQGWWMDQLSK-WOJBJXKFSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160467892 1382114778 /nfs/dbraw/zinc/11/47/78/1382114778.db2.gz YPMUQGWWMDQLSK-WOJBJXKFSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160593462 1382149463 /nfs/dbraw/zinc/14/94/63/1382149463.db2.gz UXFOWZJKQVSVSG-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160677273 1382168739 /nfs/dbraw/zinc/16/87/39/1382168739.db2.gz UWBNCNIHDOAGMW-WAYWQWQTSA-N 2 1 344.503 3.076 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160677273 1382168741 /nfs/dbraw/zinc/16/87/41/1382168741.db2.gz UWBNCNIHDOAGMW-WAYWQWQTSA-N 2 1 344.503 3.076 20 0 EGADMP COc1cc2cc[nH+]c(N[C@@H]3CC[NH2+]C[C@@H]3C(F)(F)F)c2cc1F ZINC001160741706 1382183877 /nfs/dbraw/zinc/18/38/77/1382183877.db2.gz GCQSXBGGUQXBHX-WCQYABFASA-N 2 1 343.324 3.335 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160788044 1382195943 /nfs/dbraw/zinc/19/59/43/1382195943.db2.gz WRNFKJVOHGUTNK-FXAWDEMLSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160786921 1382196311 /nfs/dbraw/zinc/19/63/11/1382196311.db2.gz IDMABVHTYCZGCJ-FQEVSTJZSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001160957506 1382250941 /nfs/dbraw/zinc/25/09/41/1382250941.db2.gz SMBXRCDNUMIDKD-YTQUADARSA-N 2 1 345.531 3.119 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC2=CC[NH+](CC=C(C)C)CC2)C1 ZINC001160985509 1382261723 /nfs/dbraw/zinc/26/17/23/1382261723.db2.gz FLWGZXSCENXQIN-HXUWFJFHSA-N 2 1 347.547 3.213 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC2=CC[N@H+](CC=C(C)C)CC2)C1 ZINC001160985509 1382261728 /nfs/dbraw/zinc/26/17/28/1382261728.db2.gz FLWGZXSCENXQIN-HXUWFJFHSA-N 2 1 347.547 3.213 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC2=CC[N@@H+](CC=C(C)C)CC2)C1 ZINC001160985509 1382261733 /nfs/dbraw/zinc/26/17/33/1382261733.db2.gz FLWGZXSCENXQIN-HXUWFJFHSA-N 2 1 347.547 3.213 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161036300 1382278726 /nfs/dbraw/zinc/27/87/26/1382278726.db2.gz HNNROGKREPLXRV-SFHVURJKSA-N 2 1 343.515 3.228 20 0 EGADMP CC(C)[C@H](C(=O)NCCC1=CC[N@@H+](CC2CCCCC2)CC1)[NH+](C)C ZINC001161134008 1382314618 /nfs/dbraw/zinc/31/46/18/1382314618.db2.gz YCQWQZDYERPTAM-HXUWFJFHSA-N 2 1 349.563 3.291 20 0 EGADMP Clc1cccc(C[N@H+]2CC[C@H](Nc3ccc4c(n3)CC[NH2+]C4)C2)c1 ZINC001161182932 1382329912 /nfs/dbraw/zinc/32/99/12/1382329912.db2.gz LMBBULJUPLEPGP-KRWDZBQOSA-N 2 1 342.874 3.067 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001161472745 1382418355 /nfs/dbraw/zinc/41/83/55/1382418355.db2.gz ZZYZFDUZRJOCFX-UHFFFAOYSA-N 2 1 343.515 3.156 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NCCC1=CC[N@@H+](CC(C)C)CC1)C(C)C ZINC001161491752 1382421718 /nfs/dbraw/zinc/42/17/18/1382421718.db2.gz NBWDJAFQHLCDTH-LJQANCHMSA-N 2 1 337.552 3.147 20 0 EGADMP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC2=CC[N@@H+](CCC3CC3)CC2)C1 ZINC001161704658 1382484886 /nfs/dbraw/zinc/48/48/86/1382484886.db2.gz DMDRNWJNNJVWLM-PMACEKPBSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001161750157 1382494759 /nfs/dbraw/zinc/49/47/59/1382494759.db2.gz ZXAPGYVHDPJMLY-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[NH+](C)CCC(=O)NCCC1=CC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001161750157 1382494761 /nfs/dbraw/zinc/49/47/61/1382494761.db2.gz ZXAPGYVHDPJMLY-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001161750157 1382494764 /nfs/dbraw/zinc/49/47/64/1382494764.db2.gz ZXAPGYVHDPJMLY-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161931357 1382559259 /nfs/dbraw/zinc/55/92/59/1382559259.db2.gz MWQGKDJXQCORRO-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP O[C@H](CNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1)c1ccco1 ZINC001162258487 1382710476 /nfs/dbraw/zinc/71/04/76/1382710476.db2.gz QXAKPRKZKRJPLE-CRAIPNDOSA-N 2 1 340.427 3.089 20 0 EGADMP Cc1oncc1CNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001162270186 1382718463 /nfs/dbraw/zinc/71/84/63/1382718463.db2.gz ZOJKGBVDLVRCSN-MRXNPFEDSA-N 2 1 325.416 3.259 20 0 EGADMP C[C@H]1C[NH2+]CCC[C@H]1CNc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001162454920 1382761541 /nfs/dbraw/zinc/76/15/41/1382761541.db2.gz BLXSLURWZMRBTG-KBPBESRZSA-N 2 1 334.464 3.476 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(NC[C@@H]2CC[NH2+]C[C@@H]2F)nc1 ZINC001162808421 1382880217 /nfs/dbraw/zinc/88/02/17/1382880217.db2.gz JWRLSGHGLQKPCT-SZMVWBNQSA-N 2 1 334.483 3.378 20 0 EGADMP Cc1ccc2c(c1)[C@H](Nc1cc[nH+]c(N(C)C)n1)CC21CC[NH2+]CC1 ZINC001163023231 1382950209 /nfs/dbraw/zinc/95/02/09/1382950209.db2.gz ACCRJFNZWQPJAF-QGZVFWFLSA-N 2 1 337.471 3.029 20 0 EGADMP Cc1ccc2c(c1)[C@@H](Nc1c[nH+]c3c(c1)CCCN3)CC21CC[NH2+]CC1 ZINC001163035365 1382953124 /nfs/dbraw/zinc/95/31/24/1382953124.db2.gz APVVKYGLLUYWAD-FQEVSTJZSA-N 2 1 348.494 3.214 20 0 EGADMP Cc1cc(C)c2[nH+]c(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)cc(C)c2c1 ZINC001163310591 1383018430 /nfs/dbraw/zinc/01/84/30/1383018430.db2.gz MOHNLVIJBHTORM-OXQOHEQNSA-N 2 1 325.456 3.483 20 0 EGADMP Cn1ccc2c1cc[nH+]c2-n1c2ccccc2nc1C1CC[NH2+]CC1 ZINC001163760494 1383118715 /nfs/dbraw/zinc/11/87/15/1383118715.db2.gz SANWHNGIZIMCRZ-UHFFFAOYSA-N 2 1 331.423 3.379 20 0 EGADMP C[C@@H](Nc1nc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc2ccccc2c1 ZINC001164139022 1383160232 /nfs/dbraw/zinc/16/02/32/1383160232.db2.gz JYKRYPWIWVDFAS-OAHLLOKOSA-N 2 1 333.439 3.213 20 0 EGADMP Cc1ccc(C(F)(F)F)cc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164211721 1383166143 /nfs/dbraw/zinc/16/61/43/1383166143.db2.gz QDQUTFZYMIQLRU-UHFFFAOYSA-N 2 1 329.410 3.452 20 0 EGADMP C[NH+](C)C1(CNc2ccc(OCC(F)(F)F)cc2)CC[NH+](C)CC1 ZINC001164213050 1383166796 /nfs/dbraw/zinc/16/67/96/1383166796.db2.gz MGIDETNIAOSNQQ-UHFFFAOYSA-N 2 1 345.409 3.066 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CCCC2CCCC2)C1 ZINC001164449585 1383187980 /nfs/dbraw/zinc/18/79/80/1383187980.db2.gz MUVLRKMGSIXPEC-LJQANCHMSA-N 2 1 337.552 3.175 20 0 EGADMP O=C(NCCC[NH2+]CC1=CCCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164491300 1383192785 /nfs/dbraw/zinc/19/27/85/1383192785.db2.gz FPVGXCZEDOODDJ-FQEVSTJZSA-N 2 1 347.547 3.380 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001164513639 1383194877 /nfs/dbraw/zinc/19/48/77/1383194877.db2.gz HDFNPCUHYAXNNG-QGZVFWFLSA-N 2 1 337.552 3.172 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531222 1383196578 /nfs/dbraw/zinc/19/65/78/1383196578.db2.gz BOIWHYBZBQNSCH-OALUTQOASA-N 2 1 349.563 3.317 20 0 EGADMP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001297732899 1383230065 /nfs/dbraw/zinc/23/00/65/1383230065.db2.gz GLSGRFGEHCKTGS-HXUWFJFHSA-N 2 1 345.531 3.404 20 0 EGADMP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001297732899 1383230070 /nfs/dbraw/zinc/23/00/70/1383230070.db2.gz GLSGRFGEHCKTGS-HXUWFJFHSA-N 2 1 345.531 3.404 20 0 EGADMP C[N@@H+]1CCC[C@@H](CCNc2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC001165271993 1383263320 /nfs/dbraw/zinc/26/33/20/1383263320.db2.gz FBDADNJBVDODOD-INIZCTEOSA-N 2 1 337.471 3.141 20 0 EGADMP C[N@H+]1CCC[C@@H](CCNc2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC001165271993 1383263323 /nfs/dbraw/zinc/26/33/23/1383263323.db2.gz FBDADNJBVDODOD-INIZCTEOSA-N 2 1 337.471 3.141 20 0 EGADMP CCC/C=C\CC[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001165569269 1383311574 /nfs/dbraw/zinc/31/15/74/1383311574.db2.gz UWIYYBUCAHSSFM-SFFCAUCYSA-N 2 1 349.563 3.483 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001165568887 1383311800 /nfs/dbraw/zinc/31/18/00/1383311800.db2.gz OIGCNSHCHDKNMB-GOSISDBHSA-N 2 1 337.552 3.317 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001328763751 1388847895 /nfs/dbraw/zinc/84/78/95/1388847895.db2.gz FYNJFYMVNIEJLG-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001165809851 1383348718 /nfs/dbraw/zinc/34/87/18/1383348718.db2.gz QTMAFVKBKHYTSH-UHFFFAOYSA-N 2 1 339.568 3.419 20 0 EGADMP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165926847 1383366166 /nfs/dbraw/zinc/36/61/66/1383366166.db2.gz GUALLDPZSYOTMF-MSOLQXFVSA-N 2 1 337.552 3.029 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)Nc2c[nH+]ccc2NC(CC)CC)C1 ZINC001298610951 1383413510 /nfs/dbraw/zinc/41/35/10/1383413510.db2.gz WXSLAJOVPPHVCC-OAHLLOKOSA-N 2 1 332.492 3.165 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001166677405 1383458490 /nfs/dbraw/zinc/45/84/90/1383458490.db2.gz IZZYAXUUCQGTHL-MSOLQXFVSA-N 2 1 345.531 3.309 20 0 EGADMP CCC/C=C\CC[NH2+]CCCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001166751899 1383471462 /nfs/dbraw/zinc/47/14/62/1383471462.db2.gz ZDZCWBFRIWQEGI-WAYWQWQTSA-N 2 1 345.531 3.003 20 0 EGADMP COc1cc(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)[nH+]c2ccccc21 ZINC001167207989 1383567097 /nfs/dbraw/zinc/56/70/97/1383567097.db2.gz JRSMHAVPELFMPP-VGSWGCGISA-N 2 1 345.446 3.221 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001167224258 1383569835 /nfs/dbraw/zinc/56/98/35/1383569835.db2.gz IETZTPUZDDLTHW-GOSISDBHSA-N 2 1 347.547 3.237 20 0 EGADMP CCCC[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001167377363 1383615719 /nfs/dbraw/zinc/61/57/19/1383615719.db2.gz NPULCXSORMRKRF-UHFFFAOYSA-N 2 1 334.508 3.073 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1 ZINC001167385648 1383618919 /nfs/dbraw/zinc/61/89/19/1383618919.db2.gz MGRAQHXUXYMJBT-ACBHZAAOSA-N 2 1 349.563 3.172 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167426749 1383630669 /nfs/dbraw/zinc/63/06/69/1383630669.db2.gz YFWMTAFEJYDRBT-MOPGFXCFSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001167476213 1383644844 /nfs/dbraw/zinc/64/48/44/1383644844.db2.gz RZMXQOSRWUFLPO-UHFFFAOYSA-N 2 1 346.519 3.073 20 0 EGADMP CCCC[NH+](CCCC)CCNc1cncc(-n2cc[nH+]c2C)n1 ZINC001167733173 1383725504 /nfs/dbraw/zinc/72/55/04/1383725504.db2.gz OTGJHXPZWDOPDW-UHFFFAOYSA-N 2 1 330.480 3.285 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001167812349 1383746657 /nfs/dbraw/zinc/74/66/57/1383746657.db2.gz MQGABUWDGLEBJU-GOSISDBHSA-N 2 1 345.531 3.356 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001167825964 1383750409 /nfs/dbraw/zinc/75/04/09/1383750409.db2.gz LVPPMCZXKFQOPF-RYQLBKOJSA-N 2 1 349.544 3.438 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC001167833546 1383753073 /nfs/dbraw/zinc/75/30/73/1383753073.db2.gz CGGJFHJNTADTJX-QUCCMNQESA-N 2 1 334.504 3.277 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2cccc(OC)n2)C1 ZINC001167834121 1383753224 /nfs/dbraw/zinc/75/32/24/1383753224.db2.gz HOQGOSNEXZREHN-QZTJIDSGSA-N 2 1 349.519 3.444 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC001167838188 1383756111 /nfs/dbraw/zinc/75/61/11/1383756111.db2.gz RIRNVPNQPJCZMP-VQIMIIECSA-N 2 1 332.488 3.097 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC001167838188 1383756112 /nfs/dbraw/zinc/75/61/12/1383756112.db2.gz RIRNVPNQPJCZMP-VQIMIIECSA-N 2 1 332.488 3.097 20 0 EGADMP COC[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167971588 1383782266 /nfs/dbraw/zinc/78/22/66/1383782266.db2.gz ZTZHNFLSXHNGOW-ASJDWODUSA-N 2 1 328.500 3.239 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(=O)[nH]c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168013582 1383797136 /nfs/dbraw/zinc/79/71/36/1383797136.db2.gz IELMBHUHWLTFKZ-HGKCTWBKSA-N 2 1 325.456 3.318 20 0 EGADMP CCCC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(N)=O ZINC001168034182 1383801286 /nfs/dbraw/zinc/80/12/86/1383801286.db2.gz OFDONGZXJBAAHN-NBMJBFSESA-N 2 1 331.504 3.062 20 0 EGADMP CCCC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)C(N)=O ZINC001168034182 1383801290 /nfs/dbraw/zinc/80/12/90/1383801290.db2.gz OFDONGZXJBAAHN-NBMJBFSESA-N 2 1 331.504 3.062 20 0 EGADMP CC[N@H+](CCC(=O)OC)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168058192 1383806005 /nfs/dbraw/zinc/80/60/05/1383806005.db2.gz PAIWBQZKBNLMCE-IAGOWNOFSA-N 2 1 332.488 3.313 20 0 EGADMP CC[N@@H+](CCC(=O)OC)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168058192 1383806008 /nfs/dbraw/zinc/80/60/08/1383806008.db2.gz PAIWBQZKBNLMCE-IAGOWNOFSA-N 2 1 332.488 3.313 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[NH+]3CCC2CC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168062224 1383806416 /nfs/dbraw/zinc/80/64/16/1383806416.db2.gz JRKCALSXPFFDOQ-RMFSNUHRSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@@H]1CO[C@@H]2C[N@H+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@H]12 ZINC001168065986 1383809715 /nfs/dbraw/zinc/80/97/15/1383809715.db2.gz ZNFCWXOZCNHROY-ZHOIUHGQSA-N 2 1 328.500 3.395 20 0 EGADMP CC(C)[C@](O)(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC001168265983 1383856616 /nfs/dbraw/zinc/85/66/16/1383856616.db2.gz ZEQDOVCRPHNVHE-YUXAGFNASA-N 2 1 342.527 3.479 20 0 EGADMP CC(C)[C@](O)(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC001168265983 1383856619 /nfs/dbraw/zinc/85/66/19/1383856619.db2.gz ZEQDOVCRPHNVHE-YUXAGFNASA-N 2 1 342.527 3.479 20 0 EGADMP CC(C)[C@](O)(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC001168265983 1383856623 /nfs/dbraw/zinc/85/66/23/1383856623.db2.gz ZEQDOVCRPHNVHE-YUXAGFNASA-N 2 1 342.527 3.479 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CC1(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001168320635 1383872853 /nfs/dbraw/zinc/87/28/53/1383872853.db2.gz HTCPIODFFZNZHD-SFHVURJKSA-N 2 1 345.531 3.272 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC001168323797 1383873162 /nfs/dbraw/zinc/87/31/62/1383873162.db2.gz CPUFJYIDUDPKRR-WCHWRFHJSA-N 2 1 327.516 3.066 20 0 EGADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2C2CCC([NH+](C)C)CC2)cc1 ZINC001168328836 1383874632 /nfs/dbraw/zinc/87/46/32/1383874632.db2.gz DAYBZRFEKPZHQE-ACBHZAAOSA-N 2 1 330.472 3.483 20 0 EGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168806270 1384013927 /nfs/dbraw/zinc/01/39/27/1384013927.db2.gz KTIOMMOYOULHJH-HZPDHXFCSA-N 2 1 327.513 3.096 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC001307748633 1384025472 /nfs/dbraw/zinc/02/54/72/1384025472.db2.gz HOVYDPBZAHATBR-KRWDZBQOSA-N 2 1 341.540 3.488 20 0 EGADMP [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1cccn2c[nH+]cc12 ZINC001169000064 1384083894 /nfs/dbraw/zinc/08/38/94/1384083894.db2.gz TZUJXXXRHHUXSQ-UHFFFAOYSA-N 2 1 325.803 3.218 20 0 EGADMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H](Cc3ccccc3)CC(C)C)C[C@@H]2C1 ZINC001169081698 1384104196 /nfs/dbraw/zinc/10/41/96/1384104196.db2.gz ZWKWVYABHKXVSO-PWRODBHTSA-N 2 1 330.516 3.296 20 0 EGADMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H](Cc3ccccc3)CC(C)C)C[C@@H]2C1 ZINC001169081698 1384104197 /nfs/dbraw/zinc/10/41/97/1384104197.db2.gz ZWKWVYABHKXVSO-PWRODBHTSA-N 2 1 330.516 3.296 20 0 EGADMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H](Cc3ccccc3)CC(C)C)C[C@@H]2C1 ZINC001169081698 1384104199 /nfs/dbraw/zinc/10/41/99/1384104199.db2.gz ZWKWVYABHKXVSO-PWRODBHTSA-N 2 1 330.516 3.296 20 0 EGADMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H](Cc3ccccc3)CC(C)C)C[C@@H]2C1 ZINC001169081698 1384104201 /nfs/dbraw/zinc/10/42/01/1384104201.db2.gz ZWKWVYABHKXVSO-PWRODBHTSA-N 2 1 330.516 3.296 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@]13CCC[C@@H]1N(C(=O)OC(C)(C)C)CC3)C2 ZINC001169096899 1384106473 /nfs/dbraw/zinc/10/64/73/1384106473.db2.gz ZLWUNMOJUQCHJM-YPLULLRNSA-N 2 1 349.519 3.133 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1)C2 ZINC001169107177 1384107876 /nfs/dbraw/zinc/10/78/76/1384107876.db2.gz FTTVNRWQTSVTGA-MUJYYYPQSA-N 2 1 346.475 3.143 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1)C2 ZINC001169107177 1384107878 /nfs/dbraw/zinc/10/78/78/1384107878.db2.gz FTTVNRWQTSVTGA-MUJYYYPQSA-N 2 1 346.475 3.143 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C)C2 ZINC001169113893 1384108905 /nfs/dbraw/zinc/10/89/05/1384108905.db2.gz VDUAMNDWYMOFLW-JONQDZQNSA-N 2 1 339.524 3.141 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(Cc3cccc(F)c3)CCOCC1)C2 ZINC001169118053 1384109376 /nfs/dbraw/zinc/10/93/76/1384109376.db2.gz CMUMPAVQDDLAKY-ACDBMABISA-N 2 1 346.490 3.380 20 0 EGADMP C[NH+](C)C[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169125231 1384110286 /nfs/dbraw/zinc/11/02/86/1384110286.db2.gz WTIHCIAAVIWWQB-KBGRMDLVSA-N 2 1 345.575 3.348 20 0 EGADMP CN(C)C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169125231 1384110288 /nfs/dbraw/zinc/11/02/88/1384110288.db2.gz WTIHCIAAVIWWQB-KBGRMDLVSA-N 2 1 345.575 3.348 20 0 EGADMP CN(C)C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169125231 1384110290 /nfs/dbraw/zinc/11/02/90/1384110290.db2.gz WTIHCIAAVIWWQB-KBGRMDLVSA-N 2 1 345.575 3.348 20 0 EGADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c[nH]1 ZINC001308282355 1384116316 /nfs/dbraw/zinc/11/63/16/1384116316.db2.gz JAYYOZFJLNJPKB-PBHICJAKSA-N 2 1 347.484 3.036 20 0 EGADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c[nH]1 ZINC001308282355 1384116318 /nfs/dbraw/zinc/11/63/18/1384116318.db2.gz JAYYOZFJLNJPKB-PBHICJAKSA-N 2 1 347.484 3.036 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@]3(CCC[NH+]3Cc3ccccc3)C1)C2 ZINC001169156415 1384116652 /nfs/dbraw/zinc/11/66/52/1384116652.db2.gz XQPXHVVKWBOOOB-CBPXPLCBSA-N 2 1 339.527 3.352 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)C1)C2 ZINC001169156415 1384116660 /nfs/dbraw/zinc/11/66/60/1384116660.db2.gz XQPXHVVKWBOOOB-CBPXPLCBSA-N 2 1 339.527 3.352 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@]3(CCC[N@H+]3Cc3ccccc3)C1)C2 ZINC001169156415 1384116662 /nfs/dbraw/zinc/11/66/62/1384116662.db2.gz XQPXHVVKWBOOOB-CBPXPLCBSA-N 2 1 339.527 3.352 20 0 EGADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169162029 1384117807 /nfs/dbraw/zinc/11/78/07/1384117807.db2.gz RRNDZLUFVLLOAI-MANSERQUSA-N 2 1 328.456 3.235 20 0 EGADMP COC(=O)c1cccc([C@@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169162029 1384117809 /nfs/dbraw/zinc/11/78/09/1384117809.db2.gz RRNDZLUFVLLOAI-MANSERQUSA-N 2 1 328.456 3.235 20 0 EGADMP COC(=O)c1cccc([C@@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169162029 1384117811 /nfs/dbraw/zinc/11/78/11/1384117811.db2.gz RRNDZLUFVLLOAI-MANSERQUSA-N 2 1 328.456 3.235 20 0 EGADMP CC[NH+]1CCC([N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC001169247032 1384127295 /nfs/dbraw/zinc/12/72/95/1384127295.db2.gz WUHMRTFIXPAFKP-CVEARBPZSA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+]1CCC([N@H+]2C[C@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC001169247032 1384127296 /nfs/dbraw/zinc/12/72/96/1384127296.db2.gz WUHMRTFIXPAFKP-CVEARBPZSA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(c3cccc(C(=O)OC)c3)CC2)CC1 ZINC001169262162 1384128751 /nfs/dbraw/zinc/12/87/51/1384128751.db2.gz ULMZFCRWTRCGCF-UHFFFAOYSA-N 2 1 330.472 3.137 20 0 EGADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001169261186 1384128771 /nfs/dbraw/zinc/12/87/71/1384128771.db2.gz CFXWFEYLWWLGQI-IRXDYDNUSA-N 2 1 339.524 3.238 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001169261186 1384128773 /nfs/dbraw/zinc/12/87/73/1384128773.db2.gz CFXWFEYLWWLGQI-IRXDYDNUSA-N 2 1 339.524 3.238 20 0 EGADMP CC[NH+]1CCC([N@H+](C)[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001169261679 1384129005 /nfs/dbraw/zinc/12/90/05/1384129005.db2.gz LPTRSPGKYWXXKY-IBGZPJMESA-N 2 1 339.524 3.192 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001169261679 1384129006 /nfs/dbraw/zinc/12/90/06/1384129006.db2.gz LPTRSPGKYWXXKY-IBGZPJMESA-N 2 1 339.524 3.192 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001169478329 1384151717 /nfs/dbraw/zinc/15/17/17/1384151717.db2.gz PUJHCWTYBFINMN-SFHVURJKSA-N 2 1 345.531 3.230 20 0 EGADMP CC[NH+]1CCC(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001308896528 1384157650 /nfs/dbraw/zinc/15/76/50/1384157650.db2.gz BDVLNGJMBRFAIE-NQIIRXRSSA-N 3 1 329.532 3.076 20 0 EGADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169746164 1384181845 /nfs/dbraw/zinc/18/18/45/1384181845.db2.gz QUAKPYQXTQHEMZ-VAMGGRTRSA-N 2 1 343.515 3.272 20 0 EGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(N[C@@H]3CCO[C@@H](c4ccccc4)C3)cn12 ZINC001169756788 1384183170 /nfs/dbraw/zinc/18/31/70/1384183170.db2.gz HNUJLUPHJUNVNN-YLJYHZDGSA-N 2 1 348.450 3.353 20 0 EGADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)C1 ZINC001170137807 1384245715 /nfs/dbraw/zinc/24/57/15/1384245715.db2.gz OUMWPOYQCCPGOF-MISYRCLQSA-N 2 1 343.515 3.326 20 0 EGADMP COCC[N@@H+](C)Cc1ccnc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001170451685 1384322359 /nfs/dbraw/zinc/32/23/59/1384322359.db2.gz WICKFIJFLYABHQ-UHFFFAOYSA-N 2 1 348.535 3.223 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170846927 1384397800 /nfs/dbraw/zinc/39/78/00/1384397800.db2.gz BMPDNHYIAIOIOW-SJORKVTESA-N 2 1 337.305 3.380 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC2CCCC2)CC[N@H+]1C ZINC001170872406 1384402696 /nfs/dbraw/zinc/40/26/96/1384402696.db2.gz WVUIECWZWRAWBO-YTQUADARSA-N 2 1 337.552 3.172 20 0 EGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@H]1CCc3ccc(Br)cc3C1)C2 ZINC001170888477 1384406470 /nfs/dbraw/zinc/40/64/70/1384406470.db2.gz GLOHPQVIPJQUPK-BPQIPLTHSA-N 2 1 349.316 3.190 20 0 EGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CCc3ccc(Br)cc3C1)C2 ZINC001170888477 1384406472 /nfs/dbraw/zinc/40/64/72/1384406472.db2.gz GLOHPQVIPJQUPK-BPQIPLTHSA-N 2 1 349.316 3.190 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171260282 1384480925 /nfs/dbraw/zinc/48/09/25/1384480925.db2.gz HFMKYHWQEVROPI-KRWDZBQOSA-N 2 1 337.552 3.316 20 0 EGADMP Fc1ccc2c(cc[nH+]c2NCc2ccccc2N2CC[NH2+]CC2)c1 ZINC001171283042 1384485077 /nfs/dbraw/zinc/48/50/77/1384485077.db2.gz JNTKNICYTGXDFB-UHFFFAOYSA-N 2 1 336.414 3.396 20 0 EGADMP C[N@H+]1CCCC[C@@H]1c1ccc(N2c3ccccc3OC[C@H]2C[NH3+])nc1 ZINC001171399237 1384512351 /nfs/dbraw/zinc/51/23/51/1384512351.db2.gz GTRVMHCWTQPIIL-IAGOWNOFSA-N 2 1 338.455 3.096 20 0 EGADMP Fc1cccc2c1CC[C@@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001171409269 1384515092 /nfs/dbraw/zinc/51/50/92/1384515092.db2.gz PFBLVODMARSRRK-PBVWOCPUSA-N 2 1 336.454 3.403 20 0 EGADMP Fc1cccc2c1CC[C@@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001171409269 1384515094 /nfs/dbraw/zinc/51/50/94/1384515094.db2.gz PFBLVODMARSRRK-PBVWOCPUSA-N 2 1 336.454 3.403 20 0 EGADMP C[N@H+](C1CCOCC1)C1CC[NH+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171438416 1384524164 /nfs/dbraw/zinc/52/41/64/1384524164.db2.gz RQMFCOFISXVQCW-LJQANCHMSA-N 2 1 346.490 3.258 20 0 EGADMP C[N@@H+](C1CCOCC1)C1CC[NH+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171438416 1384524167 /nfs/dbraw/zinc/52/41/67/1384524167.db2.gz RQMFCOFISXVQCW-LJQANCHMSA-N 2 1 346.490 3.258 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccsc1 ZINC001171587167 1384572933 /nfs/dbraw/zinc/57/29/33/1384572933.db2.gz ZHONYVPPLWEEBK-HNNXBMFYSA-N 2 1 339.549 3.243 20 0 EGADMP C[C@H]1C[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC[C@@]1(O)C(F)(F)F ZINC001171632068 1384586765 /nfs/dbraw/zinc/58/67/65/1384586765.db2.gz UUHMRTFFANWCBI-LRDDRELGSA-N 2 1 336.442 3.273 20 0 EGADMP COc1cc(O[C@@H]2CC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)ccn1 ZINC001171641704 1384589703 /nfs/dbraw/zinc/58/97/03/1384589703.db2.gz UHTMLKKVYAGQCR-QGZVFWFLSA-N 2 1 347.503 3.195 20 0 EGADMP Cc1cc(N2CC[NH+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)cc[nH+]1 ZINC001171641210 1384589746 /nfs/dbraw/zinc/58/97/46/1384589746.db2.gz NKRFCUHUTOJFHQ-UHFFFAOYSA-N 3 1 330.520 3.163 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001171726046 1384614875 /nfs/dbraw/zinc/61/48/75/1384614875.db2.gz UVOPUKJUDDOEGG-IBGZPJMESA-N 2 1 349.494 3.031 20 0 EGADMP C[C@H]1C[C@@H](N2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[N@H+]1Cc1ccccc1 ZINC001171769580 1384630368 /nfs/dbraw/zinc/63/03/68/1384630368.db2.gz UOEPNTSVOJUPLV-NRDMVMEKSA-N 2 1 345.506 3.158 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H](n2cc[nH+]c2CCC[NH3+])CC12CCC2 ZINC001171846756 1384660150 /nfs/dbraw/zinc/66/01/50/1384660150.db2.gz YOZPLUNVUDRJGH-HNNXBMFYSA-N 2 1 348.491 3.269 20 0 EGADMP CCCC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(N)=O ZINC001171977880 1384701950 /nfs/dbraw/zinc/70/19/50/1384701950.db2.gz HPTRKHWTHDXYNU-ROUUACIJSA-N 2 1 331.504 3.063 20 0 EGADMP CCCC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C(N)=O ZINC001171977880 1384701948 /nfs/dbraw/zinc/70/19/48/1384701948.db2.gz HPTRKHWTHDXYNU-ROUUACIJSA-N 2 1 331.504 3.063 20 0 EGADMP CN1CCC[C@@H]2C[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171985857 1384703214 /nfs/dbraw/zinc/70/32/14/1384703214.db2.gz CKRABAWVDXKMTQ-NJDAHSKKSA-N 2 1 341.543 3.456 20 0 EGADMP CN1CCC[C@@H]2C[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171985857 1384703223 /nfs/dbraw/zinc/70/32/23/1384703223.db2.gz CKRABAWVDXKMTQ-NJDAHSKKSA-N 2 1 341.543 3.456 20 0 EGADMP CN1CCC[C@@H]2C[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171985857 1384703227 /nfs/dbraw/zinc/70/32/27/1384703227.db2.gz CKRABAWVDXKMTQ-NJDAHSKKSA-N 2 1 341.543 3.456 20 0 EGADMP COC(=O)CC[N@H+](C1CC1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987636 1384705950 /nfs/dbraw/zinc/70/59/50/1384705950.db2.gz YREQYBLRYAELFF-LJQANCHMSA-N 2 1 344.499 3.457 20 0 EGADMP COC(=O)CC[N@@H+](C1CC1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987636 1384705952 /nfs/dbraw/zinc/70/59/52/1384705952.db2.gz YREQYBLRYAELFF-LJQANCHMSA-N 2 1 344.499 3.457 20 0 EGADMP COC(=O)CC[NH+](C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987636 1384705954 /nfs/dbraw/zinc/70/59/54/1384705954.db2.gz YREQYBLRYAELFF-LJQANCHMSA-N 2 1 344.499 3.457 20 0 EGADMP COC(=O)CC[NH+](C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987636 1384705956 /nfs/dbraw/zinc/70/59/56/1384705956.db2.gz YREQYBLRYAELFF-LJQANCHMSA-N 2 1 344.499 3.457 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C1CC[NH+](Cc2ccccc2C)CC1 ZINC001316935018 1384706135 /nfs/dbraw/zinc/70/61/35/1384706135.db2.gz AROHWPWKAVLHOE-UHFFFAOYSA-N 2 1 345.531 3.150 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2(C[NH3+])CC2)CC12CCCCC2 ZINC001172055258 1384714021 /nfs/dbraw/zinc/71/40/21/1384714021.db2.gz GMRMJQBWUHNSCR-HNNXBMFYSA-N 2 1 337.508 3.170 20 0 EGADMP N=c1cc(C[NH3+])ccn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063943 1384715559 /nfs/dbraw/zinc/71/55/59/1384715559.db2.gz FEJLQRCPEGGZTC-PMOLBWCYSA-N 2 1 336.483 3.184 20 0 EGADMP C[C@@H]1[C@H](CO)CC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172070311 1384717915 /nfs/dbraw/zinc/71/79/15/1384717915.db2.gz YVDCKSDXVBTIMP-VLQCVTHLSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1[C@H](CO)CC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172070311 1384717917 /nfs/dbraw/zinc/71/79/17/1384717917.db2.gz YVDCKSDXVBTIMP-VLQCVTHLSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1[C@H](CO)CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172070311 1384717920 /nfs/dbraw/zinc/71/79/20/1384717920.db2.gz YVDCKSDXVBTIMP-VLQCVTHLSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1[C@H](CO)CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172070311 1384717926 /nfs/dbraw/zinc/71/79/26/1384717926.db2.gz YVDCKSDXVBTIMP-VLQCVTHLSA-N 2 1 328.500 3.275 20 0 EGADMP CC1(C)OCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CO1 ZINC001172073157 1384719996 /nfs/dbraw/zinc/71/99/96/1384719996.db2.gz OPMPGQLLMIQMBB-FNLKRUPLSA-N 2 1 344.499 3.313 20 0 EGADMP CC1(C)OCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC001172073157 1384720000 /nfs/dbraw/zinc/72/00/00/1384720000.db2.gz OPMPGQLLMIQMBB-FNLKRUPLSA-N 2 1 344.499 3.313 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC001172098861 1384725800 /nfs/dbraw/zinc/72/58/00/1384725800.db2.gz GYGPSZSFFUPPPB-MZADTFQBSA-N 3 1 327.516 3.387 20 0 EGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC001172098861 1384725805 /nfs/dbraw/zinc/72/58/05/1384725805.db2.gz GYGPSZSFFUPPPB-MZADTFQBSA-N 2 1 327.516 3.387 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC001172098861 1384725812 /nfs/dbraw/zinc/72/58/12/1384725812.db2.gz GYGPSZSFFUPPPB-MZADTFQBSA-N 2 1 327.516 3.387 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC001172098861 1384725814 /nfs/dbraw/zinc/72/58/14/1384725814.db2.gz GYGPSZSFFUPPPB-MZADTFQBSA-N 2 1 327.516 3.387 20 0 EGADMP COc1ccccc1C1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCOCC1 ZINC001172110940 1384730000 /nfs/dbraw/zinc/73/00/00/1384730000.db2.gz MDLZAUJJDSBWJZ-BCDXTJNWSA-N 2 1 344.499 3.306 20 0 EGADMP COc1ccccc1C1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCOCC1 ZINC001172110940 1384730004 /nfs/dbraw/zinc/73/00/04/1384730004.db2.gz MDLZAUJJDSBWJZ-BCDXTJNWSA-N 2 1 344.499 3.306 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@]3(C[C@H](OCC4CC4)CO3)C1)C2 ZINC001172117666 1384733464 /nfs/dbraw/zinc/73/34/64/1384733464.db2.gz KMSYRUDAPNFOBQ-HGJUEJDCSA-N 2 1 348.531 3.052 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@]3(C[C@H](OCC4CC4)CO3)C1)C2 ZINC001172117666 1384733465 /nfs/dbraw/zinc/73/34/65/1384733465.db2.gz KMSYRUDAPNFOBQ-HGJUEJDCSA-N 2 1 348.531 3.052 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@]3(C[C@H](OCC4CC4)CO3)C1)C2 ZINC001172117666 1384733466 /nfs/dbraw/zinc/73/34/66/1384733466.db2.gz KMSYRUDAPNFOBQ-HGJUEJDCSA-N 2 1 348.531 3.052 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172121645 1384733989 /nfs/dbraw/zinc/73/39/89/1384733989.db2.gz RQOQNOVQYRYNPN-AXVVYFOYSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172121645 1384733992 /nfs/dbraw/zinc/73/39/92/1384733992.db2.gz RQOQNOVQYRYNPN-AXVVYFOYSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172121645 1384733994 /nfs/dbraw/zinc/73/39/94/1384733994.db2.gz RQOQNOVQYRYNPN-AXVVYFOYSA-N 2 1 349.519 3.087 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[NH+](Cc3ccc(F)cc3)CC1)C2 ZINC001172123384 1384735143 /nfs/dbraw/zinc/73/51/43/1384735143.db2.gz GASGVRCLFXYFCV-AERCQKQUSA-N 2 1 345.506 3.349 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[NH+](Cc3ccc(F)cc3)CC1)C2 ZINC001172123384 1384735145 /nfs/dbraw/zinc/73/51/45/1384735145.db2.gz GASGVRCLFXYFCV-AERCQKQUSA-N 2 1 345.506 3.349 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[N@H+](Cc3ccc(F)cc3)CC1)C2 ZINC001172123384 1384735147 /nfs/dbraw/zinc/73/51/47/1384735147.db2.gz GASGVRCLFXYFCV-AERCQKQUSA-N 2 1 345.506 3.349 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[N@@H+](Cc3ccc(F)cc3)CC1)C2 ZINC001172123384 1384735150 /nfs/dbraw/zinc/73/51/50/1384735150.db2.gz GASGVRCLFXYFCV-AERCQKQUSA-N 2 1 345.506 3.349 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCN(Cc3ccc(F)cc3)CC1)C2 ZINC001172123384 1384735151 /nfs/dbraw/zinc/73/51/51/1384735151.db2.gz GASGVRCLFXYFCV-AERCQKQUSA-N 2 1 345.506 3.349 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCN(Cc3ccc(F)cc3)CC1)C2 ZINC001172123384 1384735153 /nfs/dbraw/zinc/73/51/53/1384735153.db2.gz GASGVRCLFXYFCV-AERCQKQUSA-N 2 1 345.506 3.349 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCN(Cc3ccc(F)cc3)CC1)C2 ZINC001172123384 1384735155 /nfs/dbraw/zinc/73/51/55/1384735155.db2.gz GASGVRCLFXYFCV-AERCQKQUSA-N 2 1 345.506 3.349 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCN(Cc3ccc(F)cc3)CC1)C2 ZINC001172123384 1384735157 /nfs/dbraw/zinc/73/51/57/1384735157.db2.gz GASGVRCLFXYFCV-AERCQKQUSA-N 2 1 345.506 3.349 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3CCN(Cc4ccccc4)[C@H]3C1)C2 ZINC001172123916 1384735187 /nfs/dbraw/zinc/73/51/87/1384735187.db2.gz HQWJDOGIHCNNHL-AANPDWTMSA-N 2 1 339.527 3.208 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@H]3CCN(Cc4ccccc4)[C@H]3C1)C2 ZINC001172123916 1384735188 /nfs/dbraw/zinc/73/51/88/1384735188.db2.gz HQWJDOGIHCNNHL-AANPDWTMSA-N 2 1 339.527 3.208 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@H]3CCN(Cc4ccccc4)[C@H]3C1)C2 ZINC001172123916 1384735190 /nfs/dbraw/zinc/73/51/90/1384735190.db2.gz HQWJDOGIHCNNHL-AANPDWTMSA-N 2 1 339.527 3.208 20 0 EGADMP CCCc1noc(C2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC001172127021 1384736470 /nfs/dbraw/zinc/73/64/70/1384736470.db2.gz FSWXJYVGAUXGHJ-FVQHAEBGSA-N 2 1 332.492 3.217 20 0 EGADMP CCCc1noc(C2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC001172127021 1384736473 /nfs/dbraw/zinc/73/64/73/1384736473.db2.gz FSWXJYVGAUXGHJ-FVQHAEBGSA-N 2 1 332.492 3.217 20 0 EGADMP Cc1cccc(O[C@@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172132818 1384737303 /nfs/dbraw/zinc/73/73/03/1384737303.db2.gz OLUAQFSAMGAVPU-YDZRNGNQSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1cccc(O[C@@H]2CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172132818 1384737305 /nfs/dbraw/zinc/73/73/05/1384737305.db2.gz OLUAQFSAMGAVPU-YDZRNGNQSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1cccc(O[C@@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172132818 1384737308 /nfs/dbraw/zinc/73/73/08/1384737308.db2.gz OLUAQFSAMGAVPU-YDZRNGNQSA-N 2 1 329.488 3.249 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)C1)C1CCC1 ZINC001316982978 1384740294 /nfs/dbraw/zinc/74/02/94/1384740294.db2.gz MKXPMECCNYLKJE-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CC[N@H+](CCC2CCCCCC2)C1)C1CCC1 ZINC001316982978 1384740296 /nfs/dbraw/zinc/74/02/96/1384740296.db2.gz MKXPMECCNYLKJE-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CCC2CCCCCC2)C1)C1CCC1 ZINC001316982978 1384740298 /nfs/dbraw/zinc/74/02/98/1384740298.db2.gz MKXPMECCNYLKJE-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP COCCC[NH+]1CCC([NH+]2CCC(COc3ccccc3)CC2)CC1 ZINC001172255166 1384757381 /nfs/dbraw/zinc/75/73/81/1384757381.db2.gz IUUDJBXPLBUBQY-UHFFFAOYSA-N 2 1 346.515 3.278 20 0 EGADMP COc1ccccc1C[N@@H+]([C@H]1COC(C)(C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172281659 1384758701 /nfs/dbraw/zinc/75/87/01/1384758701.db2.gz XOBXMRINHJAJLJ-KZNAEPCWSA-N 2 1 332.488 3.335 20 0 EGADMP C[C@@H]1CC[C@H]([N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)C[C@@H]1C ZINC001172376252 1384780424 /nfs/dbraw/zinc/78/04/24/1384780424.db2.gz UFLQMEFNPJUELO-SQNIBIBYSA-N 2 1 330.520 3.162 20 0 EGADMP CCCC[C@H]1C[C@H]([N@@H+]2CCC[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172629841 1384822782 /nfs/dbraw/zinc/82/27/82/1384822782.db2.gz AJBLRKAWPADOES-BBWFWOEESA-N 2 1 339.524 3.368 20 0 EGADMP CCCC[C@H]1C[C@H]([N@H+]2CCC[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172629841 1384822787 /nfs/dbraw/zinc/82/27/87/1384822787.db2.gz AJBLRKAWPADOES-BBWFWOEESA-N 2 1 339.524 3.368 20 0 EGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001317059436 1384832480 /nfs/dbraw/zinc/83/24/80/1384832480.db2.gz NHZLRCDPLWBUKX-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC001335838809 1388948556 /nfs/dbraw/zinc/94/85/56/1388948556.db2.gz GDQAQZJYXMNMIL-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001172966232 1384892105 /nfs/dbraw/zinc/89/21/05/1384892105.db2.gz ZWWKLXWBARELPY-INIZCTEOSA-N 2 1 327.513 3.050 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173075828 1384908725 /nfs/dbraw/zinc/90/87/25/1384908725.db2.gz LRMGYMPNMFIMLK-DLBZAZTESA-N 2 1 341.540 3.438 20 0 EGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC001173086244 1384911114 /nfs/dbraw/zinc/91/11/14/1384911114.db2.gz SOIBHCQTEBBPDJ-BMFZPTHFSA-N 2 1 342.405 3.400 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H](C)Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC001173086244 1384911116 /nfs/dbraw/zinc/91/11/16/1384911116.db2.gz SOIBHCQTEBBPDJ-BMFZPTHFSA-N 2 1 342.405 3.400 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC001173086244 1384911119 /nfs/dbraw/zinc/91/11/19/1384911119.db2.gz SOIBHCQTEBBPDJ-BMFZPTHFSA-N 2 1 342.405 3.400 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H]([C@@H](N)C(F)(F)F)C2)CC1 ZINC001173109758 1384916904 /nfs/dbraw/zinc/91/69/04/1384916904.db2.gz GFCGOOUUGBNLKQ-SLTXQBBLSA-N 2 1 335.458 3.241 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)CC1 ZINC001173111366 1384917024 /nfs/dbraw/zinc/91/70/24/1384917024.db2.gz CCUNYWWQHUQBNY-HDYDNRTBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](Oc3cc(C)ncn3)C2)CC1 ZINC001173114071 1384917756 /nfs/dbraw/zinc/91/77/56/1384917756.db2.gz UYQUKWWZIFFYCJ-CTWPCTMYSA-N 2 1 346.519 3.281 20 0 EGADMP CC[N@H+]1CC[C@@H](N2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001173354563 1384963846 /nfs/dbraw/zinc/96/38/46/1384963846.db2.gz PYNKIVUOTBBAER-MRXNPFEDSA-N 2 1 341.421 3.049 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001173621595 1384989927 /nfs/dbraw/zinc/98/99/27/1384989927.db2.gz YMGVOUCZSQGJCL-QUCCMNQESA-N 2 1 344.499 3.363 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC001317221037 1385001371 /nfs/dbraw/zinc/00/13/71/1385001371.db2.gz SGXWBAWRPBOJLU-YFHOEESVSA-N 2 1 343.515 3.059 20 0 EGADMP COC(=O)c1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001173722500 1385009033 /nfs/dbraw/zinc/00/90/33/1385009033.db2.gz SJUHAWMNPAPNME-VQIMIIECSA-N 2 1 344.499 3.401 20 0 EGADMP COC(=O)c1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC001173722500 1385009038 /nfs/dbraw/zinc/00/90/38/1385009038.db2.gz SJUHAWMNPAPNME-VQIMIIECSA-N 2 1 344.499 3.401 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NCC[N@@H+](C)CCCC2CCCC2)CC1 ZINC001317467660 1385160963 /nfs/dbraw/zinc/16/09/63/1385160963.db2.gz JIYRHVACFBSVRJ-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175255429 1385229761 /nfs/dbraw/zinc/22/97/61/1385229761.db2.gz FLYZYZDTPFZOQX-IRXDYDNUSA-N 2 1 325.541 3.172 20 0 EGADMP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]2CCC[C@@H]2C)c1 ZINC001175256917 1385230503 /nfs/dbraw/zinc/23/05/03/1385230503.db2.gz QNMBMCIBEYFFGB-MOPGFXCFSA-N 2 1 345.531 3.244 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175256913 1385231254 /nfs/dbraw/zinc/23/12/54/1385231254.db2.gz QLKOOQUYCBAJEM-ROUUACIJSA-N 2 1 337.552 3.316 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]2CCC[C@@H]2C)cc1 ZINC001175257289 1385231884 /nfs/dbraw/zinc/23/18/84/1385231884.db2.gz YJUCUHLWAKJIOW-MOPGFXCFSA-N 2 1 345.531 3.244 20 0 EGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C)C2 ZINC001175273341 1385237045 /nfs/dbraw/zinc/23/70/45/1385237045.db2.gz QZKBITYPOYXYDC-FUHWJXTLSA-N 2 1 348.535 3.065 20 0 EGADMP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175273484 1385237720 /nfs/dbraw/zinc/23/77/20/1385237720.db2.gz SGSDZFNWSJUJNS-HPFMTEOYSA-N 2 1 337.552 3.339 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001317530004 1385254399 /nfs/dbraw/zinc/25/43/99/1385254399.db2.gz RSZHBUUFNJEATC-GOSISDBHSA-N 2 1 346.519 3.025 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001317530004 1385254405 /nfs/dbraw/zinc/25/44/05/1385254405.db2.gz RSZHBUUFNJEATC-GOSISDBHSA-N 2 1 346.519 3.025 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC1CCC(C)(C)CC1 ZINC001317537723 1385270345 /nfs/dbraw/zinc/27/03/45/1385270345.db2.gz ASAIMLQDWIXELP-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CC1CCC(C)(C)CC1 ZINC001317537723 1385270348 /nfs/dbraw/zinc/27/03/48/1385270348.db2.gz ASAIMLQDWIXELP-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CC1CCC(C)(C)CC1 ZINC001317537723 1385270351 /nfs/dbraw/zinc/27/03/51/1385270351.db2.gz ASAIMLQDWIXELP-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@@H](C)c1ccccc1 ZINC001317541734 1385281109 /nfs/dbraw/zinc/28/11/09/1385281109.db2.gz ZWJJXLIDXKEAMI-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[C@@H](C)c1ccccc1 ZINC001317541734 1385281111 /nfs/dbraw/zinc/28/11/11/1385281111.db2.gz ZWJJXLIDXKEAMI-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)[C@@H](C)c1ccccc1 ZINC001317541734 1385281114 /nfs/dbraw/zinc/28/11/14/1385281114.db2.gz ZWJJXLIDXKEAMI-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@@H](F)C[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175529377 1385323144 /nfs/dbraw/zinc/32/31/44/1385323144.db2.gz VABOYZZCQWQEAI-JKSUJKDBSA-N 2 1 340.487 3.019 20 0 EGADMP Cc1ccc(C)c(Nc2ccc(C(=O)NCCC[NH+](C)C)cc2)[nH+]1 ZINC001175824847 1385414931 /nfs/dbraw/zinc/41/49/31/1385414931.db2.gz XUCDTOIYWVYJRL-UHFFFAOYSA-N 2 1 326.444 3.124 20 0 EGADMP CCCN(C(=O)C[NH+](C)CCC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001317769722 1385460564 /nfs/dbraw/zinc/46/05/64/1385460564.db2.gz JCEZTNDCFYQMHD-ICSRJNTNSA-N 2 1 345.531 3.402 20 0 EGADMP CCCN(C(=O)C[N@H+](C)CCC)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001317769722 1385460566 /nfs/dbraw/zinc/46/05/66/1385460566.db2.gz JCEZTNDCFYQMHD-ICSRJNTNSA-N 2 1 345.531 3.402 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CCC)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001317769722 1385460567 /nfs/dbraw/zinc/46/05/67/1385460567.db2.gz JCEZTNDCFYQMHD-ICSRJNTNSA-N 2 1 345.531 3.402 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC1CCC(C)CC1 ZINC001176024827 1385463994 /nfs/dbraw/zinc/46/39/94/1385463994.db2.gz SINSEXUJXHMJNZ-XBMUEBEBSA-N 2 1 339.568 3.419 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001176024453 1385464189 /nfs/dbraw/zinc/46/41/89/1385464189.db2.gz OHKPOZOBUAUYKH-QGZVFWFLSA-N 2 1 327.557 3.419 20 0 EGADMP Cc1cc(Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc(C)[nH+]1 ZINC001176055938 1385473910 /nfs/dbraw/zinc/47/39/10/1385473910.db2.gz OLPQPXRGGPXROC-UHFFFAOYSA-N 2 1 330.863 3.269 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CC1 ZINC001176111087 1385486723 /nfs/dbraw/zinc/48/67/23/1385486723.db2.gz FUJWSVOLOJPQHF-PKOBYXMFSA-N 2 1 337.552 3.316 20 0 EGADMP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176165196 1385501021 /nfs/dbraw/zinc/50/10/21/1385501021.db2.gz JCTUIEDACJPGBW-RJCMGOLDSA-N 2 1 337.552 3.339 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]C/C=C\c1ccccc1 ZINC001176279641 1385537056 /nfs/dbraw/zinc/53/70/56/1385537056.db2.gz OQTYDHVQJUMHSJ-CPPNXCSESA-N 2 1 345.531 3.306 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH2+][C@@H](C)c1ccccc1 ZINC001176591750 1385634920 /nfs/dbraw/zinc/63/49/20/1385634920.db2.gz OITUHGFOOJXEGZ-SJORKVTESA-N 2 1 342.487 3.217 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001176753365 1385683796 /nfs/dbraw/zinc/68/37/96/1385683796.db2.gz GYMLPAGCQZOJCA-QGZVFWFLSA-N 2 1 327.557 3.418 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+][C@H]1CCc2ccccc21 ZINC001176754386 1385684328 /nfs/dbraw/zinc/68/43/28/1385684328.db2.gz UHQCLDVIMZSELI-XLIONFOSSA-N 2 1 345.531 3.279 20 0 EGADMP CCc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001176754689 1385684619 /nfs/dbraw/zinc/68/46/19/1385684619.db2.gz YHDFZONAOAKYQX-SFHVURJKSA-N 2 1 347.547 3.354 20 0 EGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176820923 1385714143 /nfs/dbraw/zinc/71/41/43/1385714143.db2.gz ZOPPQHORTDYCKF-GOSISDBHSA-N 2 1 333.520 3.183 20 0 EGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176820923 1385714147 /nfs/dbraw/zinc/71/41/47/1385714147.db2.gz ZOPPQHORTDYCKF-GOSISDBHSA-N 2 1 333.520 3.183 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001176992287 1385766305 /nfs/dbraw/zinc/76/63/05/1385766305.db2.gz LGLHCRREIALBMS-LJQANCHMSA-N 2 1 337.552 3.317 20 0 EGADMP CCC/C=C/CC[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001177016360 1385773746 /nfs/dbraw/zinc/77/37/46/1385773746.db2.gz KLWUCMZXTMGBJJ-OVKVCFKUSA-N 2 1 331.504 3.132 20 0 EGADMP CC[C@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@H](C)c1ccccc1Cl ZINC001318603596 1385788261 /nfs/dbraw/zinc/78/82/61/1385788261.db2.gz QAVANQGKYVOIDI-UKRRQHHQSA-N 2 1 348.878 3.091 20 0 EGADMP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001177416014 1385948367 /nfs/dbraw/zinc/94/83/67/1385948367.db2.gz RDYBEOFBOBAZIA-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)CC1 ZINC001177629352 1386011613 /nfs/dbraw/zinc/01/16/13/1386011613.db2.gz OWQXYQPBMZKDQE-ZIFCJYIRSA-N 2 1 347.503 3.013 20 0 EGADMP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccco2)CC1 ZINC001177629352 1386011618 /nfs/dbraw/zinc/01/16/18/1386011618.db2.gz OWQXYQPBMZKDQE-ZIFCJYIRSA-N 2 1 347.503 3.013 20 0 EGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178484070 1386232108 /nfs/dbraw/zinc/23/21/08/1386232108.db2.gz NSKMCWVKHQOXER-WGLWSTOQSA-N 2 1 349.563 3.483 20 0 EGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001178526804 1386241042 /nfs/dbraw/zinc/24/10/42/1386241042.db2.gz CSOPKWGYLWTFHS-OXUXSNCKSA-N 2 1 337.552 3.339 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CC2CCCCC2)CC[N@H+]1C ZINC001178521785 1386241050 /nfs/dbraw/zinc/24/10/50/1386241050.db2.gz DQEFRGWMBFYAAN-IEBWSBKVSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCC(C)C ZINC001178634296 1386265262 /nfs/dbraw/zinc/26/52/62/1386265262.db2.gz SSCMYRUMCUXDEL-SFHVURJKSA-N 2 1 325.541 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CC(C)C1 ZINC001178633612 1386265486 /nfs/dbraw/zinc/26/54/86/1386265486.db2.gz AUUJOUIMXFNERG-CTWPCTMYSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@H](C)CC ZINC001178633657 1386265519 /nfs/dbraw/zinc/26/55/19/1386265519.db2.gz CPZNPJVBICWNBX-MSOLQXFVSA-N 2 1 325.541 3.173 20 0 EGADMP CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001178693244 1386279916 /nfs/dbraw/zinc/27/99/16/1386279916.db2.gz MNQAXUYUJPFJKX-IBGZPJMESA-N 2 1 337.552 3.460 20 0 EGADMP Cc1cccc(C[NH2+]CCCCCCNC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001178827672 1386319272 /nfs/dbraw/zinc/31/92/72/1386319272.db2.gz MEYZRSIOQCKELH-HXUWFJFHSA-N 2 1 345.531 3.246 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001178833029 1386322627 /nfs/dbraw/zinc/32/26/27/1386322627.db2.gz NGKLYNDWHAKSMW-GOSISDBHSA-N 2 1 337.552 3.173 20 0 EGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2C)CC1 ZINC001178835592 1386323141 /nfs/dbraw/zinc/32/31/41/1386323141.db2.gz KMGNDACKWLHPQU-GOSISDBHSA-N 2 1 345.531 3.310 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2C)CC1 ZINC001178835592 1386323147 /nfs/dbraw/zinc/32/31/47/1386323147.db2.gz KMGNDACKWLHPQU-GOSISDBHSA-N 2 1 345.531 3.310 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001178878703 1386336483 /nfs/dbraw/zinc/33/64/83/1386336483.db2.gz XBMYLLTZKKKTIV-COLAKMGYSA-N 2 1 349.563 3.290 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccccc1C ZINC001319866067 1386344473 /nfs/dbraw/zinc/34/44/73/1386344473.db2.gz ZRDAUWQMYAYFSQ-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001319872499 1386348993 /nfs/dbraw/zinc/34/89/93/1386348993.db2.gz XWPCGXNTCFJXIN-MRXNPFEDSA-N 2 1 342.487 3.273 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001178926122 1386351081 /nfs/dbraw/zinc/35/10/81/1386351081.db2.gz PSFMNPJYDDIINF-SXLOBPIMSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1cc(C)cc(C[NH2+][C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C(C)C)c1 ZINC001319919117 1386390672 /nfs/dbraw/zinc/39/06/72/1386390672.db2.gz SHIMCZQPVXKXLU-FQEVSTJZSA-N 2 1 345.531 3.018 20 0 EGADMP Cc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]2C)cc1 ZINC001179550470 1386512092 /nfs/dbraw/zinc/51/20/92/1386512092.db2.gz XDNNKFDDNVMIAI-HKUYNNGSSA-N 2 1 345.531 3.052 20 0 EGADMP CCCCCC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001179580858 1386522078 /nfs/dbraw/zinc/52/20/78/1386522078.db2.gz STIHUQMVEAAOFW-SFHVURJKSA-N 2 1 325.541 3.317 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCCCCC[NH2+]Cc1cccc(F)c1 ZINC001179580755 1386522765 /nfs/dbraw/zinc/52/27/65/1386522765.db2.gz OYHULMGWNFFZCM-QGZVFWFLSA-N 2 1 349.494 3.076 20 0 EGADMP CCCCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001179590239 1386525091 /nfs/dbraw/zinc/52/50/91/1386525091.db2.gz FIIIJSHRECCQJP-MSOLQXFVSA-N 2 1 325.541 3.031 20 0 EGADMP CC(C)C[NH2+]CCCCCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001179590751 1386525958 /nfs/dbraw/zinc/52/59/58/1386525958.db2.gz LJUAEBUCBVHDRJ-LJQANCHMSA-N 2 1 343.531 3.121 20 0 EGADMP C[N@@H+](CC(=O)NCCCCCC[NH2+]CCCCCF)CC(C)(C)C ZINC001179592981 1386526941 /nfs/dbraw/zinc/52/69/41/1386526941.db2.gz SUGVGMNSNXPZFR-UHFFFAOYSA-N 2 1 345.547 3.370 20 0 EGADMP CC(C)CCC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001179592970 1386527012 /nfs/dbraw/zinc/52/70/12/1386527012.db2.gz SHQJLKIPZQDRHC-UHFFFAOYSA-N 2 1 339.568 3.421 20 0 EGADMP O=C(NCCCCCC[NH2+]C/C=C/Cl)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179792606 1386588605 /nfs/dbraw/zinc/58/86/05/1386588605.db2.gz TWFMBNUEXUMYTJ-QZKWLWDQSA-N 2 1 341.927 3.022 20 0 EGADMP C[C@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001320464637 1386616531 /nfs/dbraw/zinc/61/65/31/1386616531.db2.gz QMQKXMRNWPERRF-AEFFLSMTSA-N 2 1 337.552 3.172 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CCCc1ccccc1 ZINC001179989436 1386659936 /nfs/dbraw/zinc/65/99/36/1386659936.db2.gz YPMNKZXAJQZXGL-UHFFFAOYSA-N 2 1 347.547 3.227 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001179989229 1386660088 /nfs/dbraw/zinc/66/00/88/1386660088.db2.gz VHEGEOXPUXLOSB-UHFFFAOYSA-N 2 1 325.541 3.031 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001180060935 1386683532 /nfs/dbraw/zinc/68/35/32/1386683532.db2.gz USQYEYJLDVIMFG-RTBURBONSA-N 2 1 339.568 3.277 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCCCCCC[NH2+]CC2CC(C)(C)C2)C1 ZINC001180060592 1386683868 /nfs/dbraw/zinc/68/38/68/1386683868.db2.gz IUKXDDSXBHRNFR-QGZVFWFLSA-N 2 1 337.552 3.031 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CC1CC(F)(F)C1 ZINC001180117809 1386701747 /nfs/dbraw/zinc/70/17/47/1386701747.db2.gz DJHCRBYVMHBTFT-UHFFFAOYSA-N 2 1 347.494 3.030 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001320864469 1386742074 /nfs/dbraw/zinc/74/20/74/1386742074.db2.gz WMHKWBLXOJTZOD-UYAOXDASSA-N 2 1 345.531 3.449 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1ccccc1F)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001320928694 1386760847 /nfs/dbraw/zinc/76/08/47/1386760847.db2.gz MOYIQDIXYBOQIG-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001320929539 1386761594 /nfs/dbraw/zinc/76/15/94/1386761594.db2.gz RFMZIZLACGATTA-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP CCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181441884 1386994712 /nfs/dbraw/zinc/99/47/12/1386994712.db2.gz RZURRBDCZCJGRU-WSTZPKSXSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001181441873 1386994908 /nfs/dbraw/zinc/99/49/08/1386994908.db2.gz RPMDGTAALCLXHY-SLYNCCJLSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1coc2ccccc12 ZINC001181485910 1387002421 /nfs/dbraw/zinc/00/24/21/1387002421.db2.gz KZBSMQKYMAIRKV-SFHVURJKSA-N 2 1 329.488 3.281 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(C3CC[NH+](C)CC3)cc2)C1 ZINC001181977506 1387085873 /nfs/dbraw/zinc/08/58/73/1387085873.db2.gz LIKCHUBLYPWGIQ-SFHVURJKSA-N 2 1 329.488 3.165 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC001322634600 1387217019 /nfs/dbraw/zinc/21/70/19/1387217019.db2.gz VIEGMPPRWDCUHI-MSOLQXFVSA-N 3 1 333.520 3.010 20 0 EGADMP CC[N@@H+]1CCC[C@@H](CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC001322634600 1387217021 /nfs/dbraw/zinc/21/70/21/1387217021.db2.gz VIEGMPPRWDCUHI-MSOLQXFVSA-N 2 1 333.520 3.010 20 0 EGADMP CC[N@H+]1CCC[C@@H](CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC001322634600 1387217022 /nfs/dbraw/zinc/21/70/22/1387217022.db2.gz VIEGMPPRWDCUHI-MSOLQXFVSA-N 2 1 333.520 3.010 20 0 EGADMP CCN1CCC[C@@H](C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC001322634600 1387217025 /nfs/dbraw/zinc/21/70/25/1387217025.db2.gz VIEGMPPRWDCUHI-MSOLQXFVSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)CCCC1CCCC1 ZINC001329590849 1389170055 /nfs/dbraw/zinc/17/00/55/1389170055.db2.gz ZAKAESHPWGLUAQ-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCC[NH+]1CC1CC(C)C1 ZINC001329936040 1389264997 /nfs/dbraw/zinc/26/49/97/1389264997.db2.gz IVWRWRJLYZJXRU-ACBHZAAOSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CC(C)C1 ZINC001329936040 1389264998 /nfs/dbraw/zinc/26/49/98/1389264998.db2.gz IVWRWRJLYZJXRU-ACBHZAAOSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@H+]1CC1CC(C)C1 ZINC001329936040 1389265001 /nfs/dbraw/zinc/26/50/01/1389265001.db2.gz IVWRWRJLYZJXRU-ACBHZAAOSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC001330935560 1389570428 /nfs/dbraw/zinc/57/04/28/1389570428.db2.gz QBLJZKGAEQURGL-LAUBAEHRSA-N 2 1 349.478 3.126 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C)cc2C)C1 ZINC001332326271 1390087615 /nfs/dbraw/zinc/08/76/15/1390087615.db2.gz ZXSFYODQMOIAET-ICSRJNTNSA-N 2 1 345.531 3.020 20 0 EGADMP Cc1ccccc1C[NH2+]C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C(C)(C)C ZINC001332809419 1390192138 /nfs/dbraw/zinc/19/21/38/1390192138.db2.gz YEVBLMBEAXNWIU-LJQANCHMSA-N 2 1 345.531 3.100 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC001340032684 1390211876 /nfs/dbraw/zinc/21/18/76/1390211876.db2.gz FBNHLYANYHRMMI-WQANXHIZSA-N 2 1 327.472 3.140 20 0 EGADMP CCC[NH2+]C1(CNC(=O)[C@H](C)CC)CC[NH+](Cc2ccccc2)CC1 ZINC001333012837 1390236521 /nfs/dbraw/zinc/23/65/21/1390236521.db2.gz FDULCWLPHNOTOA-GOSISDBHSA-N 2 1 345.531 3.183 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001340871565 1390390173 /nfs/dbraw/zinc/39/01/73/1390390173.db2.gz IJOHFSMLHUTTTP-HNAWSFBYSA-N 2 1 345.531 3.023 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)ccc1OC ZINC001333841887 1390420279 /nfs/dbraw/zinc/42/02/79/1390420279.db2.gz OZADHKHMQDOYOC-BZSNNMDCSA-N 2 1 332.488 3.256 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cn4cc(Cl)ccc4n3)C[C@H]2C1 ZINC001334358013 1390524152 /nfs/dbraw/zinc/52/41/52/1390524152.db2.gz WEJBFPSRPILIDS-JJRVBVJISA-N 2 1 332.879 3.150 20 0 EGADMP COc1cc(F)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1OC ZINC001335151143 1390649572 /nfs/dbraw/zinc/64/95/72/1390649572.db2.gz TVTRMCJGWOCQHZ-SQWLQELKSA-N 2 1 336.451 3.005 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H](Cc4nccn4C)C3)cc2)cn1 ZINC001344377670 1390787833 /nfs/dbraw/zinc/78/78/33/1390787833.db2.gz IOFKXSZKRWKCDF-SFHVURJKSA-N 2 1 349.482 3.275 20 0 EGADMP O=C(CC[N@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1ccccc1Cl ZINC001349389313 1391326566 /nfs/dbraw/zinc/32/65/66/1391326566.db2.gz KSFXZOYDKWQQMR-UHFFFAOYSA-N 2 1 335.879 3.134 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@](C)([NH3+])c2ccccc2)cc1Cl ZINC001349897700 1391382704 /nfs/dbraw/zinc/38/27/04/1391382704.db2.gz RMRBXUZWZCPCSL-GOSISDBHSA-N 2 1 331.847 3.214 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001480330436 1392689746 /nfs/dbraw/zinc/68/97/46/1392689746.db2.gz CUGHFQOOKWXOAK-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC1CCCCC1 ZINC001480873439 1392992266 /nfs/dbraw/zinc/99/22/66/1392992266.db2.gz DXPJTENKRQAYHD-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CC1CCCCC1 ZINC001480873439 1392992270 /nfs/dbraw/zinc/99/22/70/1392992270.db2.gz DXPJTENKRQAYHD-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CC1CCCCC1 ZINC001480873439 1392992274 /nfs/dbraw/zinc/99/22/74/1392992274.db2.gz DXPJTENKRQAYHD-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@H](C)c1cccc(C)c1 ZINC001480979351 1393063727 /nfs/dbraw/zinc/06/37/27/1393063727.db2.gz GWOJRRFLWUQCCN-QUCCMNQESA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)[C@H](C)c1cccc(C)c1 ZINC001480979351 1393063730 /nfs/dbraw/zinc/06/37/30/1393063730.db2.gz GWOJRRFLWUQCCN-QUCCMNQESA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)[C@H](C)c1cccc(C)c1 ZINC001480979351 1393063734 /nfs/dbraw/zinc/06/37/34/1393063734.db2.gz GWOJRRFLWUQCCN-QUCCMNQESA-N 2 1 345.531 3.369 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]1CCCc2ccccc21 ZINC001480981191 1393065416 /nfs/dbraw/zinc/06/54/16/1393065416.db2.gz ASPOXUPHCRIJMW-UXHICEINSA-N 2 1 345.531 3.088 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@@H+](CCC3CCCCCC3)C2)CCC1 ZINC001481095825 1393118865 /nfs/dbraw/zinc/11/88/65/1393118865.db2.gz NMZKFYMVGZWPLH-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001481215172 1393150110 /nfs/dbraw/zinc/15/01/10/1393150110.db2.gz GJQWLMHJVLNKIR-OXJNMPFZSA-N 2 1 339.483 3.043 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C[NH2+]C(C)C)C1CCCCC1 ZINC001698885370 1406618417 /nfs/dbraw/zinc/61/84/17/1406618417.db2.gz YVAJFKTZRDDAKN-GOSISDBHSA-N 2 1 334.508 3.035 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001698941948 1406681960 /nfs/dbraw/zinc/68/19/60/1406681960.db2.gz YTVXLJRDLKTHDG-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CC1CCCCC1 ZINC001698948287 1406688210 /nfs/dbraw/zinc/68/82/10/1406688210.db2.gz VDNJNFSMQHZUGN-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001481539357 1394401272 /nfs/dbraw/zinc/40/12/72/1394401272.db2.gz CTTMVLVYCLEVAD-ICSRJNTNSA-N 2 1 343.515 3.204 20 0 EGADMP CC(C)(C)CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001481683325 1394447462 /nfs/dbraw/zinc/44/74/62/1394447462.db2.gz WXCLFEFRDTUENR-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCCC1)C1CCC1 ZINC001491210301 1394472940 /nfs/dbraw/zinc/47/29/40/1394472940.db2.gz PFYCFZCKBMSAEV-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCCC1)C1CCC1 ZINC001491210301 1394472942 /nfs/dbraw/zinc/47/29/42/1394472942.db2.gz PFYCFZCKBMSAEV-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCCC1)C1CCC1 ZINC001491210301 1394472945 /nfs/dbraw/zinc/47/29/45/1394472945.db2.gz PFYCFZCKBMSAEV-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C)cc1C)[NH+](C)C ZINC001491220915 1394479277 /nfs/dbraw/zinc/47/92/77/1394479277.db2.gz IQWLJFQVFYAWTO-UXHICEINSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCCC2)C1)[NH+](C)C ZINC001481731545 1394480372 /nfs/dbraw/zinc/48/03/72/1394480372.db2.gz VNHDQAQHOWZTAO-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)C[C@@H]1C ZINC001483917292 1395144132 /nfs/dbraw/zinc/14/41/32/1395144132.db2.gz VFBQJGHLPDVNCI-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC2CC(C)C2)CC1 ZINC001484137359 1395274169 /nfs/dbraw/zinc/27/41/69/1395274169.db2.gz NZMNNTUYFDSTQT-CTWPCTMYSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1cccc(C)c1C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001484723112 1395486445 /nfs/dbraw/zinc/48/64/45/1395486445.db2.gz LTTWNROBPHCAHB-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001486207713 1396182472 /nfs/dbraw/zinc/18/24/72/1396182472.db2.gz MJIZFXRDTDURNI-QZTJIDSGSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)CCN(C)[C@@H](C)c1ccccc1Cl ZINC001699001864 1406814280 /nfs/dbraw/zinc/81/42/80/1406814280.db2.gz DIYUTZKICNBYOY-HNNXBMFYSA-N 2 1 339.911 3.133 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)[C@@H](C)c1ccccc1Cl ZINC001699001864 1406814286 /nfs/dbraw/zinc/81/42/86/1406814286.db2.gz DIYUTZKICNBYOY-HNNXBMFYSA-N 2 1 339.911 3.133 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC001699001864 1406814292 /nfs/dbraw/zinc/81/42/92/1406814292.db2.gz DIYUTZKICNBYOY-HNNXBMFYSA-N 2 1 339.911 3.133 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC001699001864 1406814298 /nfs/dbraw/zinc/81/42/98/1406814298.db2.gz DIYUTZKICNBYOY-HNNXBMFYSA-N 2 1 339.911 3.133 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCN(C)[C@H](C)c1ccccc1F ZINC001492442114 1396322305 /nfs/dbraw/zinc/32/23/05/1396322305.db2.gz UILKJHIAFMUESW-VQIMIIECSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@H](C)c1ccccc1F ZINC001492442114 1396322307 /nfs/dbraw/zinc/32/23/07/1396322307.db2.gz UILKJHIAFMUESW-VQIMIIECSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)[C@H](C)c1ccccc1F ZINC001492442114 1396322308 /nfs/dbraw/zinc/32/23/08/1396322308.db2.gz UILKJHIAFMUESW-VQIMIIECSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)[C@H](C)c1ccccc1F ZINC001492442114 1396322309 /nfs/dbraw/zinc/32/23/09/1396322309.db2.gz UILKJHIAFMUESW-VQIMIIECSA-N 2 1 349.494 3.198 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001494156738 1396389088 /nfs/dbraw/zinc/38/90/88/1396389088.db2.gz IMIHKPJOCCMWKH-OALUTQOASA-N 2 1 345.531 3.178 20 0 EGADMP CN(C(=O)CCCn1ccnc1)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001494875810 1396504462 /nfs/dbraw/zinc/50/44/62/1396504462.db2.gz KOTWHDNIKCYDSR-IBGZPJMESA-N 2 1 346.519 3.166 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCCCC2)CC1 ZINC001499243476 1397065253 /nfs/dbraw/zinc/06/52/53/1397065253.db2.gz HNFKEQZDAXHXIU-LJQANCHMSA-N 2 1 349.563 3.460 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001690684010 1404689461 /nfs/dbraw/zinc/68/94/61/1404689461.db2.gz HYIZFCRDAXRBKP-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCC(CC)C[N@H+](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001690822938 1404759086 /nfs/dbraw/zinc/75/90/86/1404759086.db2.gz OSVYFHBOUDNNDL-LJQANCHMSA-N 2 1 348.535 3.331 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001690822938 1404759087 /nfs/dbraw/zinc/75/90/87/1404759087.db2.gz OSVYFHBOUDNNDL-LJQANCHMSA-N 2 1 348.535 3.331 20 0 EGADMP CCc1ccc(C[NH+](C)[C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)cc1 ZINC001690822627 1404759242 /nfs/dbraw/zinc/75/92/42/1404759242.db2.gz JXLQLMXLBDCHES-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)cc1 ZINC001690822627 1404759243 /nfs/dbraw/zinc/75/92/43/1404759243.db2.gz JXLQLMXLBDCHES-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)cc1 ZINC001690822627 1404759244 /nfs/dbraw/zinc/75/92/44/1404759244.db2.gz JXLQLMXLBDCHES-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)c1ccccc1 ZINC001690982139 1404896093 /nfs/dbraw/zinc/89/60/93/1404896093.db2.gz QLAFIKLURRTFMF-HKUYNNGSSA-N 2 1 331.504 3.059 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001690982139 1404896096 /nfs/dbraw/zinc/89/60/96/1404896096.db2.gz QLAFIKLURRTFMF-HKUYNNGSSA-N 2 1 331.504 3.059 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001690982139 1404896097 /nfs/dbraw/zinc/89/60/97/1404896097.db2.gz QLAFIKLURRTFMF-HKUYNNGSSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001691000313 1404916560 /nfs/dbraw/zinc/91/65/60/1404916560.db2.gz BTVWILNKZBFKBE-MOPGFXCFSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)[C@@H](C)c1ccccc1F ZINC001691021459 1404934821 /nfs/dbraw/zinc/93/48/21/1404934821.db2.gz AWGLUOVAWWJWGP-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC)[C@@H](C)c1ccccc1F ZINC001691021459 1404934823 /nfs/dbraw/zinc/93/48/23/1404934823.db2.gz AWGLUOVAWWJWGP-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC)[C@@H](C)c1ccccc1F ZINC001691021459 1404934824 /nfs/dbraw/zinc/93/48/24/1404934824.db2.gz AWGLUOVAWWJWGP-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CC1CCC(C)(C)CC1)C(=O)CCC[NH+](C)C ZINC001691055414 1404975527 /nfs/dbraw/zinc/97/55/27/1404975527.db2.gz MMCIUUPBOMBFHQ-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001691154050 1405087773 /nfs/dbraw/zinc/08/77/73/1405087773.db2.gz JEUCGCPVSNIAKR-APWZRJJASA-N 2 1 349.494 3.057 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001691172458 1405107959 /nfs/dbraw/zinc/10/79/59/1405107959.db2.gz GFSTYCBCAOGCLF-KBAYOESNSA-N 2 1 346.519 3.043 20 0 EGADMP C[N@@H+](CC(=O)NCC[NH+](CC1CCCCCC1)C1CC1)C1CCC1 ZINC001691213103 1405153295 /nfs/dbraw/zinc/15/32/95/1405153295.db2.gz LISXMDKOPQXVJA-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)NCC[N@H+](CC1CCCCCC1)C1CC1)C1CCC1 ZINC001691213103 1405153298 /nfs/dbraw/zinc/15/32/98/1405153298.db2.gz LISXMDKOPQXVJA-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)NCC[N@@H+](CC1CCCCCC1)C1CC1)C1CCC1 ZINC001691213103 1405153303 /nfs/dbraw/zinc/15/33/03/1405153303.db2.gz LISXMDKOPQXVJA-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001691990127 1405703958 /nfs/dbraw/zinc/70/39/58/1405703958.db2.gz VORDJQOLMUOSLM-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001691990127 1405703960 /nfs/dbraw/zinc/70/39/60/1405703960.db2.gz VORDJQOLMUOSLM-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001691990127 1405703967 /nfs/dbraw/zinc/70/39/67/1405703967.db2.gz VORDJQOLMUOSLM-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP C[N@H+](CCC(=O)NC1C[NH+](CCCC2CCC2)C1)C1CCCCC1 ZINC001692217939 1405851053 /nfs/dbraw/zinc/85/10/53/1405851053.db2.gz TYILSUNSAFWWGT-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+](CCC(=O)NC1C[NH+](CCCC2CCC2)C1)C1CCCCC1 ZINC001692217939 1405851056 /nfs/dbraw/zinc/85/10/56/1405851056.db2.gz TYILSUNSAFWWGT-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC001732023242 1428241129 /nfs/dbraw/zinc/24/11/29/1428241129.db2.gz RESWZNLNUUZQLD-VQTJNVASSA-N 2 1 343.515 3.108 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001732058367 1428304264 /nfs/dbraw/zinc/30/42/64/1428304264.db2.gz FJKLDSMNIXYFEF-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC001732058367 1428304267 /nfs/dbraw/zinc/30/42/67/1428304267.db2.gz FJKLDSMNIXYFEF-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC001732058367 1428304271 /nfs/dbraw/zinc/30/42/71/1428304271.db2.gz FJKLDSMNIXYFEF-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001732186101 1428435301 /nfs/dbraw/zinc/43/53/01/1428435301.db2.gz JHMWICFOYJTODO-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[NH2+]CC[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001732275568 1428509827 /nfs/dbraw/zinc/50/98/27/1428509827.db2.gz DYUUVQDGJXESIF-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(CC[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001732302419 1428520031 /nfs/dbraw/zinc/52/00/31/1428520031.db2.gz HACVAXZCYIWFDD-SFHVURJKSA-N 2 1 345.531 3.308 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001732330885 1428537473 /nfs/dbraw/zinc/53/74/73/1428537473.db2.gz RXFVWEVMVGGXDT-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001732330885 1428537476 /nfs/dbraw/zinc/53/74/76/1428537476.db2.gz RXFVWEVMVGGXDT-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001732330885 1428537477 /nfs/dbraw/zinc/53/74/77/1428537477.db2.gz RXFVWEVMVGGXDT-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)NCC1([NH2+]CCC2CCCC2)CCCC1 ZINC001732396005 1428563418 /nfs/dbraw/zinc/56/34/18/1428563418.db2.gz FFFDCNVGFASLQN-MRXNPFEDSA-N 2 1 346.519 3.187 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001732399187 1428565487 /nfs/dbraw/zinc/56/54/87/1428565487.db2.gz XIKLMBSRYWKOSD-QZTJIDSGSA-N 2 1 343.515 3.026 20 0 EGADMP C[C@H](C[N@@H+](C)[C@@H](C)c1ccc(F)cc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001699463082 1412821521 /nfs/dbraw/zinc/82/15/21/1412821521.db2.gz DCKFPJLKGPVSHS-CVEARBPZSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2C)C[C@H]1C ZINC001699737707 1413149085 /nfs/dbraw/zinc/14/90/85/1413149085.db2.gz JIJCHRANJIXQNL-MOPGFXCFSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)C[C@H]1C ZINC001699742478 1413153470 /nfs/dbraw/zinc/15/34/70/1413153470.db2.gz ZHJZKFFLKSIURF-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001699873314 1413325098 /nfs/dbraw/zinc/32/50/98/1413325098.db2.gz KUAUEYVEIJCBNG-NRFANRHFSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+](C)CC2CCC2)CC1 ZINC001732547121 1428723919 /nfs/dbraw/zinc/72/39/19/1428723919.db2.gz KPLDSVLXVVGOMM-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC(CC[N@H+](C)CC2CCC2)CC1 ZINC001732547121 1428723921 /nfs/dbraw/zinc/72/39/21/1428723921.db2.gz KPLDSVLXVVGOMM-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC(CC[N@@H+](C)CC2CCC2)CC1 ZINC001732547121 1428723926 /nfs/dbraw/zinc/72/39/26/1428723926.db2.gz KPLDSVLXVVGOMM-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C)cc2C)CC1)[NH+](C)C ZINC001700180693 1413593520 /nfs/dbraw/zinc/59/35/20/1413593520.db2.gz GSQRVCQARIWTNH-PMACEKPBSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001700196030 1413636866 /nfs/dbraw/zinc/63/68/66/1413636866.db2.gz QSRFRUPUATTWNY-FRQCXROJSA-N 2 1 349.494 3.007 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001700196030 1413636869 /nfs/dbraw/zinc/63/68/69/1413636869.db2.gz QSRFRUPUATTWNY-FRQCXROJSA-N 2 1 349.494 3.007 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001700196030 1413636875 /nfs/dbraw/zinc/63/68/75/1413636875.db2.gz QSRFRUPUATTWNY-FRQCXROJSA-N 2 1 349.494 3.007 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001700203518 1413648538 /nfs/dbraw/zinc/64/85/38/1413648538.db2.gz RVXLQWPQOMAEIY-RTBURBONSA-N 2 1 345.531 3.369 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2C)CC1 ZINC001700203518 1413648539 /nfs/dbraw/zinc/64/85/39/1413648539.db2.gz RVXLQWPQOMAEIY-RTBURBONSA-N 2 1 345.531 3.369 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2C)CC1 ZINC001700203518 1413648542 /nfs/dbraw/zinc/64/85/42/1413648542.db2.gz RVXLQWPQOMAEIY-RTBURBONSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[N@@H+]1Cc2ccc(CNC(=O)Cn3cc[nH+]c3C(C)C)cc2C1 ZINC001700252850 1413700759 /nfs/dbraw/zinc/70/07/59/1413700759.db2.gz ZFADPERUNBXZMB-UHFFFAOYSA-N 2 1 340.471 3.049 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)Cn3cc[nH+]c3C(C)C)cc2C1 ZINC001700252850 1413700763 /nfs/dbraw/zinc/70/07/63/1413700763.db2.gz ZFADPERUNBXZMB-UHFFFAOYSA-N 2 1 340.471 3.049 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCCC2CCCC2)[C@H](C)C1 ZINC001700321080 1413787496 /nfs/dbraw/zinc/78/74/96/1413787496.db2.gz WNOJWBKZJOITKJ-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)[C@H](C)C1 ZINC001700321080 1413787499 /nfs/dbraw/zinc/78/74/99/1413787499.db2.gz WNOJWBKZJOITKJ-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)[C@H](C)C1 ZINC001700321080 1413787507 /nfs/dbraw/zinc/78/75/07/1413787507.db2.gz WNOJWBKZJOITKJ-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001700361850 1413876721 /nfs/dbraw/zinc/87/67/21/1413876721.db2.gz HXTZOKORONRYBV-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001700361850 1413876726 /nfs/dbraw/zinc/87/67/26/1413876726.db2.gz HXTZOKORONRYBV-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001700361850 1413876728 /nfs/dbraw/zinc/87/67/28/1413876728.db2.gz HXTZOKORONRYBV-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CC[C@H]([NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)C(C)C)c1ccccc1 ZINC001732571142 1428766909 /nfs/dbraw/zinc/76/69/09/1428766909.db2.gz YDCXMWRMEUVNSV-OALUTQOASA-N 2 1 342.487 3.073 20 0 EGADMP C[C@@H](CNC(=O)c1ccccc1CC[NH+](C)C)[N@@H+](C)CC1CCCC1 ZINC001700472474 1414090923 /nfs/dbraw/zinc/09/09/23/1414090923.db2.gz SUVFAXADNRTWEO-KRWDZBQOSA-N 2 1 345.531 3.031 20 0 EGADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+](C)C/C=C/c1ccccc1 ZINC001700473511 1414096068 /nfs/dbraw/zinc/09/60/68/1414096068.db2.gz FFWXPRCKIFCQEY-HGZMWJMZSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@H+](C)C/C=C/c1ccccc1 ZINC001700473511 1414096070 /nfs/dbraw/zinc/09/60/70/1414096070.db2.gz FFWXPRCKIFCQEY-HGZMWJMZSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@@H+](C)C/C=C/c1ccccc1 ZINC001700473511 1414096074 /nfs/dbraw/zinc/09/60/74/1414096074.db2.gz FFWXPRCKIFCQEY-HGZMWJMZSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C)cc1C ZINC001732582475 1428789989 /nfs/dbraw/zinc/78/99/89/1428789989.db2.gz OKIQBYJDJQUGAW-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(C)cc1C ZINC001732582475 1428789993 /nfs/dbraw/zinc/78/99/93/1428789993.db2.gz OKIQBYJDJQUGAW-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C)cc1C ZINC001732582475 1428790001 /nfs/dbraw/zinc/79/00/01/1428790001.db2.gz OKIQBYJDJQUGAW-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H]1C ZINC001700878779 1414534493 /nfs/dbraw/zinc/53/44/93/1414534493.db2.gz IFFWABSGCWBPQM-HKUYNNGSSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC001700878779 1414534498 /nfs/dbraw/zinc/53/44/98/1414534498.db2.gz IFFWABSGCWBPQM-HKUYNNGSSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC001700878779 1414534502 /nfs/dbraw/zinc/53/45/02/1414534502.db2.gz IFFWABSGCWBPQM-HKUYNNGSSA-N 2 1 337.552 3.410 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+][C@H](C)c2ccccc2)C1 ZINC001701025492 1414687258 /nfs/dbraw/zinc/68/72/58/1414687258.db2.gz UYCDKSMNEMKSJM-IPJUCJBFSA-N 2 1 331.504 3.059 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001732703817 1428917381 /nfs/dbraw/zinc/91/73/81/1428917381.db2.gz YVHMBWDBZSFYLS-SJORKVTESA-N 2 1 331.504 3.025 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001707439014 1417342856 /nfs/dbraw/zinc/34/28/56/1417342856.db2.gz BRMNZFIXKPUSSU-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001713136297 1417718181 /nfs/dbraw/zinc/71/81/81/1417718181.db2.gz CCKZOWHDAYXNJT-LJQANCHMSA-N 2 1 337.552 3.223 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001713417414 1418041567 /nfs/dbraw/zinc/04/15/67/1418041567.db2.gz QTDPIDIWNWLIAA-KXBFYZLASA-N 2 1 343.531 3.120 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](CC)c1ccccc1 ZINC001713598531 1418388647 /nfs/dbraw/zinc/38/86/47/1418388647.db2.gz UJBCYJDGUBRGKH-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001713784099 1418600393 /nfs/dbraw/zinc/60/03/93/1418600393.db2.gz IHIGHIINZRESKC-SFHVURJKSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001713964894 1418744255 /nfs/dbraw/zinc/74/42/55/1418744255.db2.gz OYKQECCRIQSVKM-BZSNNMDCSA-N 2 1 331.504 3.025 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001714085934 1418879449 /nfs/dbraw/zinc/87/94/49/1418879449.db2.gz FQDLBVCMKFEFCI-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001714085932 1418879745 /nfs/dbraw/zinc/87/97/45/1418879745.db2.gz FQDLBVCMKFEFCI-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C[NH2+][C@H](C)c2ccccc2)CCCC1 ZINC001714148696 1418954660 /nfs/dbraw/zinc/95/46/60/1418954660.db2.gz PLZLUOFDXKQRST-QGZVFWFLSA-N 2 1 331.504 3.108 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001714149654 1418955905 /nfs/dbraw/zinc/95/59/05/1418955905.db2.gz FANOHGYBWSSLMV-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001714155094 1418964541 /nfs/dbraw/zinc/96/45/41/1418964541.db2.gz DAZMPAAQRBWJNI-RTBURBONSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)[C@@H](CC)C1 ZINC001733196970 1429299492 /nfs/dbraw/zinc/29/94/92/1429299492.db2.gz HCRZXNVXGILKQQ-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)[C@H](C)c1cccc(F)c1 ZINC001714583435 1419323883 /nfs/dbraw/zinc/32/38/83/1419323883.db2.gz HPGXGYBBCBTHEY-VQIMIIECSA-N 2 1 349.494 3.198 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H](C)c1cccc(F)c1 ZINC001714583435 1419323885 /nfs/dbraw/zinc/32/38/85/1419323885.db2.gz HPGXGYBBCBTHEY-VQIMIIECSA-N 2 1 349.494 3.198 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H](C)c1cccc(F)c1 ZINC001714583435 1419323888 /nfs/dbraw/zinc/32/38/88/1419323888.db2.gz HPGXGYBBCBTHEY-VQIMIIECSA-N 2 1 349.494 3.198 20 0 EGADMP CCC(CC)C[N@@H+](CC)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001714588115 1419332266 /nfs/dbraw/zinc/33/22/66/1419332266.db2.gz VWQCBFZUEAWHDI-UHFFFAOYSA-N 2 1 330.476 3.131 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001714646721 1419422362 /nfs/dbraw/zinc/42/23/62/1419422362.db2.gz LZWHWYAZOIKYKO-QUCCMNQESA-N 2 1 345.531 3.088 20 0 EGADMP CCC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)Cc1ccc(C)cc1 ZINC001714659708 1419444025 /nfs/dbraw/zinc/44/40/25/1419444025.db2.gz UERVGUQQSDRISL-UHFFFAOYSA-N 2 1 345.531 3.055 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1)CC(C)(C)C ZINC001714922443 1419675471 /nfs/dbraw/zinc/67/54/71/1419675471.db2.gz QJCVKOKKSQKVAB-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1)CC(C)(C)C ZINC001714922443 1419675472 /nfs/dbraw/zinc/67/54/72/1419675472.db2.gz QJCVKOKKSQKVAB-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1)CC(C)(C)C ZINC001714922443 1419675475 /nfs/dbraw/zinc/67/54/75/1419675475.db2.gz QJCVKOKKSQKVAB-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001714925433 1419679306 /nfs/dbraw/zinc/67/93/06/1419679306.db2.gz IWRMLCOWEBQHSH-FBQMEGEOSA-N 2 1 343.515 3.055 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001714925433 1419679308 /nfs/dbraw/zinc/67/93/08/1419679308.db2.gz IWRMLCOWEBQHSH-FBQMEGEOSA-N 2 1 343.515 3.055 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001714925433 1419679310 /nfs/dbraw/zinc/67/93/10/1419679310.db2.gz IWRMLCOWEBQHSH-FBQMEGEOSA-N 2 1 343.515 3.055 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001714925433 1419679311 /nfs/dbraw/zinc/67/93/11/1419679311.db2.gz IWRMLCOWEBQHSH-FBQMEGEOSA-N 2 1 343.515 3.055 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001714997021 1419729116 /nfs/dbraw/zinc/72/91/16/1419729116.db2.gz IBPWHYKFHPPLIR-RDJZCZTQSA-N 2 1 346.519 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001714997021 1419729120 /nfs/dbraw/zinc/72/91/20/1419729120.db2.gz IBPWHYKFHPPLIR-RDJZCZTQSA-N 2 1 346.519 3.023 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001715021193 1419752366 /nfs/dbraw/zinc/75/23/66/1419752366.db2.gz ATUBBHMMAYKIBH-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001715021193 1419752367 /nfs/dbraw/zinc/75/23/67/1419752367.db2.gz ATUBBHMMAYKIBH-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001715021193 1419752369 /nfs/dbraw/zinc/75/23/69/1419752369.db2.gz ATUBBHMMAYKIBH-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001715384422 1420081028 /nfs/dbraw/zinc/08/10/28/1420081028.db2.gz IJIWQSPANDUCLF-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H](C[N@@H+](C)CC1CCCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001716044180 1420507419 /nfs/dbraw/zinc/50/74/19/1420507419.db2.gz AWLMQZGDNKUEJD-KRWDZBQOSA-N 2 1 345.531 3.379 20 0 EGADMP CCC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001733268974 1429429779 /nfs/dbraw/zinc/42/97/79/1429429779.db2.gz UQWWQJSGMVZPGT-VPRPHCNOSA-N 2 1 347.547 3.329 20 0 EGADMP CCCCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001716703508 1420857329 /nfs/dbraw/zinc/85/73/29/1420857329.db2.gz BAXPPRHNVKCGAT-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001716703508 1420857331 /nfs/dbraw/zinc/85/73/31/1420857331.db2.gz BAXPPRHNVKCGAT-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001716703508 1420857334 /nfs/dbraw/zinc/85/73/34/1420857334.db2.gz BAXPPRHNVKCGAT-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001733276850 1429441602 /nfs/dbraw/zinc/44/16/02/1429441602.db2.gz BZQHEZLRORCOLD-FQEVSTJZSA-N 2 1 349.563 3.242 20 0 EGADMP CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001733277083 1429442032 /nfs/dbraw/zinc/44/20/32/1429442032.db2.gz NPDFDBBMNCEENE-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001733277083 1429442034 /nfs/dbraw/zinc/44/20/34/1429442034.db2.gz NPDFDBBMNCEENE-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001733277083 1429442035 /nfs/dbraw/zinc/44/20/35/1429442035.db2.gz NPDFDBBMNCEENE-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001716723155 1420880463 /nfs/dbraw/zinc/88/04/63/1420880463.db2.gz AFQYSAXVERSHCE-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC[C@@H](C(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1ccccc1C)[NH+](C)C ZINC001717214321 1421190514 /nfs/dbraw/zinc/19/05/14/1421190514.db2.gz QZIIMZWARGCAFY-HKUYNNGSSA-N 2 1 333.520 3.177 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+](C(C)C)C1 ZINC001717217238 1421195350 /nfs/dbraw/zinc/19/53/50/1421195350.db2.gz PJNBUNZLLUFJII-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001717217238 1421195351 /nfs/dbraw/zinc/19/53/51/1421195351.db2.gz PJNBUNZLLUFJII-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001717217238 1421195353 /nfs/dbraw/zinc/19/53/53/1421195353.db2.gz PJNBUNZLLUFJII-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001717217550 1421195593 /nfs/dbraw/zinc/19/55/93/1421195593.db2.gz SKLYERZVEVZHCU-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001717217550 1421195596 /nfs/dbraw/zinc/19/55/96/1421195596.db2.gz SKLYERZVEVZHCU-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001717217550 1421195598 /nfs/dbraw/zinc/19/55/98/1421195598.db2.gz SKLYERZVEVZHCU-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001733335175 1429519597 /nfs/dbraw/zinc/51/95/97/1429519597.db2.gz FWIRVQPAJFUBPG-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC1CC(C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2C)C2CCCCCC2)C1 ZINC001723639032 1424501853 /nfs/dbraw/zinc/50/18/53/1424501853.db2.gz DAKQKWYGEXDQMK-QLOJAFMTSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CC(C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C2CCCCCC2)C1 ZINC001723639032 1424501857 /nfs/dbraw/zinc/50/18/57/1424501857.db2.gz DAKQKWYGEXDQMK-QLOJAFMTSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CC(C[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C)C2CCCCCC2)C1 ZINC001723639032 1424501858 /nfs/dbraw/zinc/50/18/58/1424501858.db2.gz DAKQKWYGEXDQMK-QLOJAFMTSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001723649559 1424515084 /nfs/dbraw/zinc/51/50/84/1424515084.db2.gz QTSUOXYGRWDIEZ-SFHVURJKSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001724188446 1424720568 /nfs/dbraw/zinc/72/05/68/1424720568.db2.gz GLLPRJLSXHJWBX-GHTZIAJQSA-N 2 1 343.515 3.204 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCC2(C)CC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC001724285470 1424775166 /nfs/dbraw/zinc/77/51/66/1424775166.db2.gz MDGXTOPVYDUYIF-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001733563642 1429762830 /nfs/dbraw/zinc/76/28/30/1429762830.db2.gz OBTAFKLHUSVUMK-FNLKRUPLSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001733563642 1429762832 /nfs/dbraw/zinc/76/28/32/1429762832.db2.gz OBTAFKLHUSVUMK-FNLKRUPLSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001733563642 1429762835 /nfs/dbraw/zinc/76/28/35/1429762835.db2.gz OBTAFKLHUSVUMK-FNLKRUPLSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001724620752 1424971839 /nfs/dbraw/zinc/97/18/39/1424971839.db2.gz HATODDBHKRXSNY-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001724620752 1424971842 /nfs/dbraw/zinc/97/18/42/1424971842.db2.gz HATODDBHKRXSNY-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001724620752 1424971844 /nfs/dbraw/zinc/97/18/44/1424971844.db2.gz HATODDBHKRXSNY-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001724845889 1425197556 /nfs/dbraw/zinc/19/75/56/1425197556.db2.gz FPBLWRYIWDUFHT-IBGZPJMESA-N 2 1 348.535 3.379 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001724845889 1425197561 /nfs/dbraw/zinc/19/75/61/1425197561.db2.gz FPBLWRYIWDUFHT-IBGZPJMESA-N 2 1 348.535 3.379 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CCCC(C)(C)C)CC1(C)C ZINC001724968704 1425365732 /nfs/dbraw/zinc/36/57/32/1425365732.db2.gz DSNUESZAEYZZCB-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)[C@H](C)c1ccccc1F ZINC001725196610 1425751064 /nfs/dbraw/zinc/75/10/64/1425751064.db2.gz RIYQAUQTUQTKTK-IAGOWNOFSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH2+]Cc1c(C)cccc1C)C(C)(C)C ZINC001725753607 1426432488 /nfs/dbraw/zinc/43/24/88/1426432488.db2.gz WLIYGLPDPRYCAN-LJQANCHMSA-N 2 1 347.547 3.266 20 0 EGADMP CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001731297631 1427240144 /nfs/dbraw/zinc/24/01/44/1427240144.db2.gz UJNWKCRCYNOIRY-HKUYNNGSSA-N 2 1 337.552 3.410 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001731461445 1427437308 /nfs/dbraw/zinc/43/73/08/1427437308.db2.gz PYNWTVNCYSDUHJ-AFYVEPGGSA-N 2 1 345.531 3.208 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H]1CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001731561064 1427597520 /nfs/dbraw/zinc/59/75/20/1427597520.db2.gz YQIUERUHXQHYBQ-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC001731561064 1427597524 /nfs/dbraw/zinc/59/75/24/1427597524.db2.gz YQIUERUHXQHYBQ-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001731561064 1427597530 /nfs/dbraw/zinc/59/75/30/1427597530.db2.gz YQIUERUHXQHYBQ-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2ccccc2C)C1 ZINC001731721739 1427793434 /nfs/dbraw/zinc/79/34/34/1427793434.db2.gz YTTJEPZHIABQFP-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2C)C1 ZINC001731721739 1427793449 /nfs/dbraw/zinc/79/34/49/1427793449.db2.gz YTTJEPZHIABQFP-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2C)C1 ZINC001731721739 1427793453 /nfs/dbraw/zinc/79/34/53/1427793453.db2.gz YTTJEPZHIABQFP-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001731786337 1427919171 /nfs/dbraw/zinc/91/91/71/1427919171.db2.gz QHNVFWUPMPZHAE-UXHICEINSA-N 2 1 345.531 3.449 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001731786337 1427919174 /nfs/dbraw/zinc/91/91/74/1427919174.db2.gz QHNVFWUPMPZHAE-UXHICEINSA-N 2 1 345.531 3.449 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001731786337 1427919177 /nfs/dbraw/zinc/91/91/77/1427919177.db2.gz QHNVFWUPMPZHAE-UXHICEINSA-N 2 1 345.531 3.449 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001731786338 1427920111 /nfs/dbraw/zinc/92/01/11/1427920111.db2.gz QHNVFWUPMPZHAE-VQTJNVASSA-N 2 1 345.531 3.449 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001731786338 1427920119 /nfs/dbraw/zinc/92/01/19/1427920119.db2.gz QHNVFWUPMPZHAE-VQTJNVASSA-N 2 1 345.531 3.449 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001731786338 1427920122 /nfs/dbraw/zinc/92/01/22/1427920122.db2.gz QHNVFWUPMPZHAE-VQTJNVASSA-N 2 1 345.531 3.449 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001733768779 1429995370 /nfs/dbraw/zinc/99/53/70/1429995370.db2.gz JYZPSAOKKWFUJB-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001733768779 1429995374 /nfs/dbraw/zinc/99/53/74/1429995374.db2.gz JYZPSAOKKWFUJB-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001733768779 1429995377 /nfs/dbraw/zinc/99/53/77/1429995377.db2.gz JYZPSAOKKWFUJB-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC001733769033 1429996243 /nfs/dbraw/zinc/99/62/43/1429996243.db2.gz LUAOCKXEDYXISS-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001733769033 1429996248 /nfs/dbraw/zinc/99/62/48/1429996248.db2.gz LUAOCKXEDYXISS-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001733769033 1429996251 /nfs/dbraw/zinc/99/62/51/1429996251.db2.gz LUAOCKXEDYXISS-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CN(CCC[N@@H+](C)CCCC(C)(C)C)C(=O)CC1CC[NH+](C)CC1 ZINC001733779554 1430037062 /nfs/dbraw/zinc/03/70/62/1430037062.db2.gz USXBDTOTQGGERV-UHFFFAOYSA-N 2 1 339.568 3.325 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001733863883 1437692440 /nfs/dbraw/zinc/69/24/40/1437692440.db2.gz GCJNTNQIOQTUII-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](C[C@H](C)CC(C)C)CC1(C)C ZINC001733877693 1437704536 /nfs/dbraw/zinc/70/45/36/1437704536.db2.gz DKPAPYLNECDRRW-SJLPKXTDSA-N 2 1 348.535 3.090 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](C[C@H](C)CC(C)C)CC1(C)C ZINC001733877693 1437704537 /nfs/dbraw/zinc/70/45/37/1437704537.db2.gz DKPAPYLNECDRRW-SJLPKXTDSA-N 2 1 348.535 3.090 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CCCC1CCCC1 ZINC001733902127 1437720174 /nfs/dbraw/zinc/72/01/74/1437720174.db2.gz SYSJEHKMSWAKHD-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001734051234 1437841064 /nfs/dbraw/zinc/84/10/64/1437841064.db2.gz KSPAAEMKXCJTDT-QGZVFWFLSA-N 2 1 347.547 3.262 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001734404657 1438084001 /nfs/dbraw/zinc/08/40/01/1438084001.db2.gz CMHBRIDSKCPXFG-FXAWDEMLSA-N 2 1 345.531 3.134 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001734404657 1438084004 /nfs/dbraw/zinc/08/40/04/1438084004.db2.gz CMHBRIDSKCPXFG-FXAWDEMLSA-N 2 1 345.531 3.134 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001734456193 1438113281 /nfs/dbraw/zinc/11/32/81/1438113281.db2.gz GXULZFCUHLVSOK-VQIMIIECSA-N 2 1 348.535 3.377 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001734456193 1438113283 /nfs/dbraw/zinc/11/32/83/1438113283.db2.gz GXULZFCUHLVSOK-VQIMIIECSA-N 2 1 348.535 3.377 20 0 EGADMP Cc1ccccc1C[N@@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001751976421 1440129827 /nfs/dbraw/zinc/12/98/27/1440129827.db2.gz ZQPRIBYJWCEOBE-UHFFFAOYSA-N 2 1 345.531 3.198 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001752077164 1440138648 /nfs/dbraw/zinc/13/86/48/1440138648.db2.gz CPHUZPLXJYNBPI-MRXNPFEDSA-N 2 1 349.494 3.057 20 0 EGADMP CC[N@H+](CCCNC(=O)Cn1c[nH+]cc1C)CC1CCC(C)(C)CC1 ZINC001752199918 1440153565 /nfs/dbraw/zinc/15/35/65/1440153565.db2.gz SOUHPOJEMZFNAF-UHFFFAOYSA-N 2 1 348.535 3.236 20 0 EGADMP CC[N@@H+](CCCNC(=O)Cn1c[nH+]cc1C)CC1CCC(C)(C)CC1 ZINC001752199918 1440153566 /nfs/dbraw/zinc/15/35/66/1440153566.db2.gz SOUHPOJEMZFNAF-UHFFFAOYSA-N 2 1 348.535 3.236 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001752302798 1440168157 /nfs/dbraw/zinc/16/81/57/1440168157.db2.gz JYWQOLITMPEBTD-IEBWSBKVSA-N 2 1 337.552 3.076 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]([NH2+]CCC2CCCCCC2)C2CC2)C1 ZINC001752489841 1440186435 /nfs/dbraw/zinc/18/64/35/1440186435.db2.gz BLSXJGNNGBZOQO-AZUAARDMSA-N 2 1 349.563 3.173 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)Cc2cccc(C)c2)C1 ZINC001752527922 1440193626 /nfs/dbraw/zinc/19/36/26/1440193626.db2.gz POZCUVNRFGMQNX-FQEVSTJZSA-N 2 1 345.531 3.007 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)Cc2cccc(C)c2)C1 ZINC001752527922 1440193627 /nfs/dbraw/zinc/19/36/27/1440193627.db2.gz POZCUVNRFGMQNX-FQEVSTJZSA-N 2 1 345.531 3.007 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2cccc(C)c2)C1 ZINC001752527922 1440193628 /nfs/dbraw/zinc/19/36/28/1440193628.db2.gz POZCUVNRFGMQNX-FQEVSTJZSA-N 2 1 345.531 3.007 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)Cc2cccc(C)c2)C1 ZINC001752527923 1440193630 /nfs/dbraw/zinc/19/36/30/1440193630.db2.gz POZCUVNRFGMQNX-HXUWFJFHSA-N 2 1 345.531 3.007 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)Cc2cccc(C)c2)C1 ZINC001752527923 1440193631 /nfs/dbraw/zinc/19/36/31/1440193631.db2.gz POZCUVNRFGMQNX-HXUWFJFHSA-N 2 1 345.531 3.007 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H](C[N@@H+](C)Cc2cccc(C)c2)C1 ZINC001752527923 1440193632 /nfs/dbraw/zinc/19/36/32/1440193632.db2.gz POZCUVNRFGMQNX-HXUWFJFHSA-N 2 1 345.531 3.007 20 0 EGADMP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1)[NH+](CC)CC ZINC001752698419 1440201505 /nfs/dbraw/zinc/20/15/05/1440201505.db2.gz LUEQNXDFELTSFI-RAFMOHDBSA-N 2 1 349.563 3.409 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001752766708 1440205812 /nfs/dbraw/zinc/20/58/12/1440205812.db2.gz MYGQHJJAMRTHIG-CALCHBBNSA-N 2 1 334.508 3.035 20 0 EGADMP CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001752790359 1440213787 /nfs/dbraw/zinc/21/37/87/1440213787.db2.gz XMQJTOHINKGFOE-UYAOXDASSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001752790359 1440213788 /nfs/dbraw/zinc/21/37/88/1440213788.db2.gz XMQJTOHINKGFOE-UYAOXDASSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001752823469 1440222306 /nfs/dbraw/zinc/22/23/06/1440222306.db2.gz CFRDZIBSJNHBKL-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001752823469 1440222307 /nfs/dbraw/zinc/22/23/07/1440222307.db2.gz CFRDZIBSJNHBKL-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001752823469 1440222308 /nfs/dbraw/zinc/22/23/08/1440222308.db2.gz CFRDZIBSJNHBKL-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001752823469 1440222309 /nfs/dbraw/zinc/22/23/09/1440222309.db2.gz CFRDZIBSJNHBKL-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC001752907676 1440244709 /nfs/dbraw/zinc/24/47/09/1440244709.db2.gz IRMFRUFBBHGEFY-DLBZAZTESA-N 2 1 342.487 3.136 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1)C1CCC1 ZINC001752972159 1440255287 /nfs/dbraw/zinc/25/52/87/1440255287.db2.gz UZYWGCCBVRECLS-MSOLQXFVSA-N 2 1 335.536 3.068 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001752979526 1440256780 /nfs/dbraw/zinc/25/67/80/1440256780.db2.gz BUQYROGHUNNQTD-QZTJIDSGSA-N 2 1 337.552 3.172 20 0 EGADMP CC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001752998182 1440263236 /nfs/dbraw/zinc/26/32/36/1440263236.db2.gz AELVKEFQXNDNER-SFFCAUCYSA-N 2 1 346.519 3.251 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001752998182 1440263237 /nfs/dbraw/zinc/26/32/37/1440263237.db2.gz AELVKEFQXNDNER-SFFCAUCYSA-N 2 1 346.519 3.251 20 0 EGADMP C[N@@H+](CCCC1CCC1)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001753000102 1440264147 /nfs/dbraw/zinc/26/41/47/1440264147.db2.gz NJMGGBKGXVUEJW-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001753007293 1440266152 /nfs/dbraw/zinc/26/61/52/1440266152.db2.gz IVBWJQIBEGIWCC-UYAOXDASSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CCC1 ZINC001753028493 1440272168 /nfs/dbraw/zinc/27/21/68/1440272168.db2.gz HSAACGRRNRAHDZ-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCC1 ZINC001753028493 1440272169 /nfs/dbraw/zinc/27/21/69/1440272169.db2.gz HSAACGRRNRAHDZ-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCC1 ZINC001753028493 1440272170 /nfs/dbraw/zinc/27/21/70/1440272170.db2.gz HSAACGRRNRAHDZ-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001753033887 1440273910 /nfs/dbraw/zinc/27/39/10/1440273910.db2.gz VJFCMPNPRMTJEO-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001753033887 1440273911 /nfs/dbraw/zinc/27/39/11/1440273911.db2.gz VJFCMPNPRMTJEO-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NCCC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001753033887 1440273912 /nfs/dbraw/zinc/27/39/12/1440273912.db2.gz VJFCMPNPRMTJEO-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)CC1CCC2(CC2)CC1 ZINC001753094770 1440301948 /nfs/dbraw/zinc/30/19/48/1440301948.db2.gz IKDBNUFPXZPPIG-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)CC1CCC2(CC2)CC1 ZINC001753094770 1440301949 /nfs/dbraw/zinc/30/19/49/1440301949.db2.gz IKDBNUFPXZPPIG-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)CC1CCC2(CC2)CC1 ZINC001753094770 1440301950 /nfs/dbraw/zinc/30/19/50/1440301950.db2.gz IKDBNUFPXZPPIG-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001753105240 1440305958 /nfs/dbraw/zinc/30/59/58/1440305958.db2.gz ANQCZLIRQZORHD-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001753105240 1440305959 /nfs/dbraw/zinc/30/59/59/1440305959.db2.gz ANQCZLIRQZORHD-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001753105240 1440305960 /nfs/dbraw/zinc/30/59/60/1440305960.db2.gz ANQCZLIRQZORHD-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001753105858 1440306110 /nfs/dbraw/zinc/30/61/10/1440306110.db2.gz IVIRKOAPULDDGI-MJGOQNOKSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001753105858 1440306111 /nfs/dbraw/zinc/30/61/11/1440306111.db2.gz IVIRKOAPULDDGI-MJGOQNOKSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001753105858 1440306112 /nfs/dbraw/zinc/30/61/12/1440306112.db2.gz IVIRKOAPULDDGI-MJGOQNOKSA-N 2 1 343.515 3.121 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001753107558 1440306716 /nfs/dbraw/zinc/30/67/16/1440306716.db2.gz GLGVTIROKRJXMO-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+]2CCC[C@H]2CNC(=O)C[N@H+](C)C(C)C)c1 ZINC001753118415 1440312709 /nfs/dbraw/zinc/31/27/09/1440312709.db2.gz HUOXKKIXWVOIOA-MOPGFXCFSA-N 2 1 345.531 3.285 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+]2CCC[C@H]2CNC(=O)C[NH+](C)C(C)C)c1 ZINC001753118415 1440312710 /nfs/dbraw/zinc/31/27/10/1440312710.db2.gz HUOXKKIXWVOIOA-MOPGFXCFSA-N 2 1 345.531 3.285 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@@H+]2CCC[C@H]2CNC(=O)C[NH+](C)C(C)C)c1 ZINC001753118415 1440312711 /nfs/dbraw/zinc/31/27/11/1440312711.db2.gz HUOXKKIXWVOIOA-MOPGFXCFSA-N 2 1 345.531 3.285 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1)c1ccccc1 ZINC001753119114 1440312865 /nfs/dbraw/zinc/31/28/65/1440312865.db2.gz LYWSTJUPVRFSPH-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1)c1ccccc1 ZINC001753119114 1440312866 /nfs/dbraw/zinc/31/28/66/1440312866.db2.gz LYWSTJUPVRFSPH-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001753120839 1440313735 /nfs/dbraw/zinc/31/37/35/1440313735.db2.gz ZUTRPAFUESBEOY-VQTJNVASSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001753120839 1440313736 /nfs/dbraw/zinc/31/37/36/1440313736.db2.gz ZUTRPAFUESBEOY-VQTJNVASSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H](C)c1cccc(F)c1 ZINC001753147569 1440325506 /nfs/dbraw/zinc/32/55/06/1440325506.db2.gz JAIZLBDGRVNXTD-MRXNPFEDSA-N 2 1 349.494 3.057 20 0 EGADMP CC1CCC(C[N@@H+](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C2CC2)CC1 ZINC001753155949 1440330757 /nfs/dbraw/zinc/33/07/57/1440330757.db2.gz LRIINNIQDMCFCA-ACBHZAAOSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CCC(C[NH+](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C2CC2)CC1 ZINC001753155949 1440330758 /nfs/dbraw/zinc/33/07/58/1440330758.db2.gz LRIINNIQDMCFCA-ACBHZAAOSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CCC(C[NH+](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C2CC2)CC1 ZINC001753155949 1440330759 /nfs/dbraw/zinc/33/07/59/1440330759.db2.gz LRIINNIQDMCFCA-ACBHZAAOSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CC(C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C2CC2)C1 ZINC001753155873 1440330837 /nfs/dbraw/zinc/33/08/37/1440330837.db2.gz JRDAMTUHBPTDIQ-UHYCVJNDSA-N 2 1 347.547 3.020 20 0 EGADMP CC1CC(C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C2CC2)C1 ZINC001753155873 1440330838 /nfs/dbraw/zinc/33/08/38/1440330838.db2.gz JRDAMTUHBPTDIQ-UHYCVJNDSA-N 2 1 347.547 3.020 20 0 EGADMP CC1CC(C[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C2CC2)C1 ZINC001753155873 1440330839 /nfs/dbraw/zinc/33/08/39/1440330839.db2.gz JRDAMTUHBPTDIQ-UHYCVJNDSA-N 2 1 347.547 3.020 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CC[NH2+][C@H](C)c1ccccc1 ZINC001753191114 1440337514 /nfs/dbraw/zinc/33/75/14/1440337514.db2.gz OSSRMSUBXHGIBD-IAGOWNOFSA-N 2 1 342.487 3.206 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC1CCC1 ZINC001753293038 1440351039 /nfs/dbraw/zinc/35/10/39/1440351039.db2.gz VNDBGQASMKFKJQ-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001753315630 1440359283 /nfs/dbraw/zinc/35/92/83/1440359283.db2.gz CAUGTWJTTWOQCP-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](C(C)C)C1 ZINC001753322876 1440364563 /nfs/dbraw/zinc/36/45/63/1440364563.db2.gz KNDLECUKVLDIDH-IBGZPJMESA-N 2 1 331.504 3.083 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001753334161 1440371343 /nfs/dbraw/zinc/37/13/43/1440371343.db2.gz CTWBUAAGRDGWHO-WOJBJXKFSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001753334161 1440371344 /nfs/dbraw/zinc/37/13/44/1440371344.db2.gz CTWBUAAGRDGWHO-WOJBJXKFSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001753334161 1440371345 /nfs/dbraw/zinc/37/13/45/1440371345.db2.gz CTWBUAAGRDGWHO-WOJBJXKFSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH+](C)CCC2CCCC2)CC1 ZINC001753367262 1440385946 /nfs/dbraw/zinc/38/59/46/1440385946.db2.gz CMBXQSNCLPNWMA-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC(C[N@H+](C)CCC2CCCC2)CC1 ZINC001753367262 1440385947 /nfs/dbraw/zinc/38/59/47/1440385947.db2.gz CMBXQSNCLPNWMA-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC(C[N@@H+](C)CCC2CCCC2)CC1 ZINC001753367262 1440385948 /nfs/dbraw/zinc/38/59/48/1440385948.db2.gz CMBXQSNCLPNWMA-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001753446267 1440404122 /nfs/dbraw/zinc/40/41/22/1440404122.db2.gz HFLLENGMNLEOIE-RTBURBONSA-N 2 1 345.531 3.239 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001753446267 1440404123 /nfs/dbraw/zinc/40/41/23/1440404123.db2.gz HFLLENGMNLEOIE-RTBURBONSA-N 2 1 345.531 3.239 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001753446267 1440404124 /nfs/dbraw/zinc/40/41/24/1440404124.db2.gz HFLLENGMNLEOIE-RTBURBONSA-N 2 1 345.531 3.239 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001753448205 1440405015 /nfs/dbraw/zinc/40/50/15/1440405015.db2.gz PBDRLVIQDDQLCV-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001753448205 1440405016 /nfs/dbraw/zinc/40/50/16/1440405016.db2.gz PBDRLVIQDDQLCV-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001753448205 1440405017 /nfs/dbraw/zinc/40/50/17/1440405017.db2.gz PBDRLVIQDDQLCV-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP CCCCCC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001753459336 1440409705 /nfs/dbraw/zinc/40/97/05/1440409705.db2.gz OUFWYLUWVUFOGQ-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CC1CCCCC1)C1CC1 ZINC001753518973 1440427993 /nfs/dbraw/zinc/42/79/93/1440427993.db2.gz UKMPOAWGMZLAGF-FPOVZHCZSA-N 2 1 349.563 3.314 20 0 EGADMP CCC/C=C/CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001753570958 1440438432 /nfs/dbraw/zinc/43/84/32/1440438432.db2.gz UNRFDZDPZSYTFR-RRFGBZISSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCC[NH2+]CCC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001753577971 1440439622 /nfs/dbraw/zinc/43/96/22/1440439622.db2.gz PXLNYOQWGCARBX-HDICACEKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H](C)F)CC1 ZINC001753585166 1440441195 /nfs/dbraw/zinc/44/11/95/1440441195.db2.gz WMNJGMFSYPDCTK-BRSBDYLESA-N 2 1 341.515 3.014 20 0 EGADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]CCC1CCCCCC1 ZINC001753637823 1440453526 /nfs/dbraw/zinc/45/35/26/1440453526.db2.gz ONNGCDXBZUJJKO-PKOBYXMFSA-N 2 1 337.552 3.031 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C)c1 ZINC001753645422 1440455596 /nfs/dbraw/zinc/45/55/96/1440455596.db2.gz ZEYMRKHDKBPIPO-AEFFLSMTSA-N 2 1 333.520 3.047 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCCCC1)C1CCCCC1 ZINC001753745346 1440480752 /nfs/dbraw/zinc/48/07/52/1440480752.db2.gz UVKHKIADDNQJAW-UXHICEINSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001753759303 1440483733 /nfs/dbraw/zinc/48/37/33/1440483733.db2.gz LBSUUTNGSZPUJN-UYAOXDASSA-N 2 1 349.563 3.434 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccc1)C1CCC1 ZINC001753779673 1440487144 /nfs/dbraw/zinc/48/71/44/1440487144.db2.gz MUTMAGTWNRDZMU-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP CCCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001753785472 1440488043 /nfs/dbraw/zinc/48/80/43/1440488043.db2.gz UKILNNIYPULFJC-OALUTQOASA-N 2 1 337.552 3.412 20 0 EGADMP CC1CC(C[N@@H+](C)CCC2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001753820089 1440495515 /nfs/dbraw/zinc/49/55/15/1440495515.db2.gz OPXBEOIYGACOAP-LYBXBRPPSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[NH+](C)CCC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001753820089 1440495516 /nfs/dbraw/zinc/49/55/16/1440495516.db2.gz OPXBEOIYGACOAP-LYBXBRPPSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[NH+](C)CCC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001753820089 1440495517 /nfs/dbraw/zinc/49/55/17/1440495517.db2.gz OPXBEOIYGACOAP-LYBXBRPPSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001753869187 1440516531 /nfs/dbraw/zinc/51/65/31/1440516531.db2.gz KJHOWLXPFPYCEZ-QGZVFWFLSA-N 2 1 349.494 3.153 20 0 EGADMP CCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001753889817 1440521777 /nfs/dbraw/zinc/52/17/77/1440521777.db2.gz UTTDOEJXXMNDCJ-AEFFLSMTSA-N 2 1 337.552 3.314 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(CF)cc1 ZINC001754025305 1440533095 /nfs/dbraw/zinc/53/30/95/1440533095.db2.gz ILQVUYAFTJDHLV-QFBILLFUSA-N 2 1 349.494 3.015 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C1CC1 ZINC001754225507 1440553241 /nfs/dbraw/zinc/55/32/41/1440553241.db2.gz YZDNLWGUZYZXBX-OXQOHEQNSA-N 2 1 343.515 3.031 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC1CCCCCC1 ZINC001754255151 1440559012 /nfs/dbraw/zinc/55/90/12/1440559012.db2.gz DGWTXNNGCRKFSW-MJGOQNOKSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@@H](C[N@@H+](C)CCC(C)(C)C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001754317428 1440576173 /nfs/dbraw/zinc/57/61/73/1440576173.db2.gz DBHQJUVHFVWNLZ-KRWDZBQOSA-N 2 1 347.547 3.277 20 0 EGADMP C[C@H](C[N@@H+](C)[C@H](C)c1ccccc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001754336670 1440586646 /nfs/dbraw/zinc/58/66/46/1440586646.db2.gz OIPWMERDJYWBEH-IAGOWNOFSA-N 2 1 349.494 3.199 20 0 EGADMP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001754371104 1440592568 /nfs/dbraw/zinc/59/25/68/1440592568.db2.gz XXQROLBRAMIALT-HXUWFJFHSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001754493307 1440610911 /nfs/dbraw/zinc/61/09/11/1440610911.db2.gz UTILPSCVYVPJCG-APWZRJJASA-N 2 1 331.504 3.013 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@H](C)c1ccc(C(C)C)cc1 ZINC001754495904 1440612333 /nfs/dbraw/zinc/61/23/33/1440612333.db2.gz AVJBSURGQGNJGA-XLIONFOSSA-N 2 1 345.531 3.403 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)c1ccc(C(C)C)cc1 ZINC001754495904 1440612334 /nfs/dbraw/zinc/61/23/34/1440612334.db2.gz AVJBSURGQGNJGA-XLIONFOSSA-N 2 1 345.531 3.403 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)c1ccc(C(C)C)cc1 ZINC001754495904 1440612335 /nfs/dbraw/zinc/61/23/35/1440612335.db2.gz AVJBSURGQGNJGA-XLIONFOSSA-N 2 1 345.531 3.403 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001754540250 1440625953 /nfs/dbraw/zinc/62/59/53/1440625953.db2.gz XPQFZNTXKLYRIN-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001754540250 1440625954 /nfs/dbraw/zinc/62/59/54/1440625954.db2.gz XPQFZNTXKLYRIN-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001754540250 1440625955 /nfs/dbraw/zinc/62/59/55/1440625955.db2.gz XPQFZNTXKLYRIN-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001754542284 1440626401 /nfs/dbraw/zinc/62/64/01/1440626401.db2.gz LMKHNEZNMMOVID-WKOLEINNSA-N 2 1 347.547 3.281 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001754542284 1440626402 /nfs/dbraw/zinc/62/64/02/1440626402.db2.gz LMKHNEZNMMOVID-WKOLEINNSA-N 2 1 347.547 3.281 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001754542284 1440626403 /nfs/dbraw/zinc/62/64/03/1440626403.db2.gz LMKHNEZNMMOVID-WKOLEINNSA-N 2 1 347.547 3.281 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001754565735 1440635389 /nfs/dbraw/zinc/63/53/89/1440635389.db2.gz SJYQTJVBKQZRFG-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001754565735 1440635390 /nfs/dbraw/zinc/63/53/90/1440635390.db2.gz SJYQTJVBKQZRFG-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001754565735 1440635391 /nfs/dbraw/zinc/63/53/91/1440635391.db2.gz SJYQTJVBKQZRFG-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1)[NH+](CC)CC ZINC001754567983 1440636303 /nfs/dbraw/zinc/63/63/03/1440636303.db2.gz YBRPYSXMZGUXDM-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CCC[NH+]1CCC(C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001754627753 1440646790 /nfs/dbraw/zinc/64/67/90/1440646790.db2.gz XHRFMJWEZPPJEJ-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001754679399 1440661543 /nfs/dbraw/zinc/66/15/43/1440661543.db2.gz QTVGNRCWEDGORC-AQIYZVDXSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001754679399 1440661544 /nfs/dbraw/zinc/66/15/44/1440661544.db2.gz QTVGNRCWEDGORC-AQIYZVDXSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001754679399 1440661545 /nfs/dbraw/zinc/66/15/45/1440661545.db2.gz QTVGNRCWEDGORC-AQIYZVDXSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@]1(NC(=O)CC[NH+]2CCCCC2)CC[N@@H+](CC2CCCCCC2)C1 ZINC001754685201 1440664668 /nfs/dbraw/zinc/66/46/68/1440664668.db2.gz GIQIZHVNFOTVED-NRFANRHFSA-N 2 1 349.563 3.413 20 0 EGADMP CC(C)[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001754727474 1440676925 /nfs/dbraw/zinc/67/69/25/1440676925.db2.gz MLBIJFOIVJIYNF-NQIIRXRSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001754727474 1440676926 /nfs/dbraw/zinc/67/69/26/1440676926.db2.gz MLBIJFOIVJIYNF-NQIIRXRSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001754727474 1440676927 /nfs/dbraw/zinc/67/69/27/1440676927.db2.gz MLBIJFOIVJIYNF-NQIIRXRSSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCC(C)(C)C)C1 ZINC001754727844 1440677081 /nfs/dbraw/zinc/67/70/81/1440677081.db2.gz OMZNUAJCCAEVBC-YLJYHZDGSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CCC(C)(C)C)C1 ZINC001754727844 1440677082 /nfs/dbraw/zinc/67/70/82/1440677082.db2.gz OMZNUAJCCAEVBC-YLJYHZDGSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CCC(C)(C)C)C1 ZINC001754727844 1440677083 /nfs/dbraw/zinc/67/70/83/1440677083.db2.gz OMZNUAJCCAEVBC-YLJYHZDGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001754734265 1440681428 /nfs/dbraw/zinc/68/14/28/1440681428.db2.gz ULORVTXOHWRYTJ-RRFGBZISSA-N 2 1 335.536 3.047 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC1CCCC1)C2 ZINC001754783079 1440686838 /nfs/dbraw/zinc/68/68/38/1440686838.db2.gz LBLHYZOVHCDMJE-ZCNNSNEGSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC1CCCCCC1)C2 ZINC001754784446 1440687227 /nfs/dbraw/zinc/68/72/27/1440687227.db2.gz ZYBFRVXMUKRAEV-UFYCRDLUSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCCCC1)C2 ZINC001754784446 1440687228 /nfs/dbraw/zinc/68/72/28/1440687228.db2.gz ZYBFRVXMUKRAEV-UFYCRDLUSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCCCC1)C2 ZINC001754784446 1440687229 /nfs/dbraw/zinc/68/72/29/1440687229.db2.gz ZYBFRVXMUKRAEV-UFYCRDLUSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]([NH2+]CCC1CC1)[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001754796753 1440689709 /nfs/dbraw/zinc/68/97/09/1440689709.db2.gz GDGCQDLVHNGTPT-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001754871825 1440705450 /nfs/dbraw/zinc/70/54/50/1440705450.db2.gz MTQVWDLHGIYTIQ-OALUTQOASA-N 2 1 335.536 3.118 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CCCC2)CC1)C1CCC1 ZINC001754953157 1440715532 /nfs/dbraw/zinc/71/55/32/1440715532.db2.gz UVYTWSNXPNMMPL-WGSAOQKQSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001754959307 1440717138 /nfs/dbraw/zinc/71/71/38/1440717138.db2.gz ZXSHFQLCLOWYNW-IHPCNDPISA-N 2 1 345.531 3.210 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]CC2CCC(C)(C)CC2)CCC1 ZINC001754992376 1440724907 /nfs/dbraw/zinc/72/49/07/1440724907.db2.gz AUEXQPWENBFGDE-UHFFFAOYSA-N 2 1 346.519 3.036 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001755024680 1440728221 /nfs/dbraw/zinc/72/82/21/1440728221.db2.gz GILPZKBVAUONQF-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001755024680 1440728222 /nfs/dbraw/zinc/72/82/22/1440728222.db2.gz GILPZKBVAUONQF-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001755024680 1440728223 /nfs/dbraw/zinc/72/82/23/1440728223.db2.gz GILPZKBVAUONQF-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001755034437 1440733637 /nfs/dbraw/zinc/73/36/37/1440733637.db2.gz RAKWKKLTVWCDDJ-RTBURBONSA-N 2 1 345.531 3.367 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001755034437 1440733638 /nfs/dbraw/zinc/73/36/38/1440733638.db2.gz RAKWKKLTVWCDDJ-RTBURBONSA-N 2 1 345.531 3.367 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001755034437 1440733639 /nfs/dbraw/zinc/73/36/39/1440733639.db2.gz RAKWKKLTVWCDDJ-RTBURBONSA-N 2 1 345.531 3.367 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CCC2CCCCC2)CC[N@H+]1C ZINC001755037478 1440735090 /nfs/dbraw/zinc/73/50/90/1440735090.db2.gz XEYUZNUGLLETOY-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@H+](C)CCC2CCCCC2)CC[NH+]1C ZINC001755037478 1440735091 /nfs/dbraw/zinc/73/50/91/1440735091.db2.gz XEYUZNUGLLETOY-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@@H+](C)CCC2CCCCC2)CC[NH+]1C ZINC001755037478 1440735092 /nfs/dbraw/zinc/73/50/92/1440735092.db2.gz XEYUZNUGLLETOY-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[N@H+]1Cc2ccc(CNC(=O)CC[NH+]3CCCCC3)cc2C1 ZINC001755101581 1440752861 /nfs/dbraw/zinc/75/28/61/1440752861.db2.gz QLTDPYFXUIBNDF-UHFFFAOYSA-N 2 1 343.515 3.150 20 0 EGADMP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001755129041 1440756767 /nfs/dbraw/zinc/75/67/67/1440756767.db2.gz AIPFLRGTZLSMNE-HPFMTEOYSA-N 2 1 335.536 3.188 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1CCC(C)(C)C ZINC001755163241 1440765686 /nfs/dbraw/zinc/76/56/86/1440765686.db2.gz FPJLHNQDJAHSCX-SJORKVTESA-N 2 1 339.568 3.370 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1CCC(C)(C)C ZINC001755163241 1440765687 /nfs/dbraw/zinc/76/56/87/1440765687.db2.gz FPJLHNQDJAHSCX-SJORKVTESA-N 2 1 339.568 3.370 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1CCC(C)(C)C ZINC001755163241 1440765688 /nfs/dbraw/zinc/76/56/88/1440765688.db2.gz FPJLHNQDJAHSCX-SJORKVTESA-N 2 1 339.568 3.370 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001755168081 1440767859 /nfs/dbraw/zinc/76/78/59/1440767859.db2.gz WWTBCYLPSKNJTE-GGVAOPBYSA-N 2 1 349.563 3.432 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001755170529 1440768434 /nfs/dbraw/zinc/76/84/34/1440768434.db2.gz ZEHCAVJNIHWBNR-JPLJXNOCSA-N 2 1 345.531 3.271 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1c2ccccc2CC[NH+]1CC=C(C)C ZINC001755171146 1440768944 /nfs/dbraw/zinc/76/89/44/1440768944.db2.gz LLCGAIWGTFWCKD-HXUWFJFHSA-N 2 1 343.515 3.010 20 0 EGADMP CCCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001755176178 1440770856 /nfs/dbraw/zinc/77/08/56/1440770856.db2.gz VWBAWBIMBJHLFY-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)[C@H](C)c1ccccc1C ZINC001755200348 1440779534 /nfs/dbraw/zinc/77/95/34/1440779534.db2.gz GNEQYCSZMBYMOR-MOPGFXCFSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@H+](C)[C@H](C)c1ccccc1C ZINC001755200348 1440779535 /nfs/dbraw/zinc/77/95/35/1440779535.db2.gz GNEQYCSZMBYMOR-MOPGFXCFSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)[C@H](C)c1ccccc1C ZINC001755200348 1440779536 /nfs/dbraw/zinc/77/95/36/1440779536.db2.gz GNEQYCSZMBYMOR-MOPGFXCFSA-N 2 1 345.531 3.321 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC1CC(C[NH2+]CCC2CCCCC2)C1 ZINC001755212896 1440783617 /nfs/dbraw/zinc/78/36/17/1440783617.db2.gz LFWJHPMGRCIICQ-SOAGJPPSSA-N 2 1 349.563 3.316 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)C1CCC([NH2+]C[C@H](C)CC(C)C)CC1 ZINC001755276817 1440799438 /nfs/dbraw/zinc/79/94/38/1440799438.db2.gz XHVKEEYIQAIJJB-IPJUCJBFSA-N 2 1 348.535 3.233 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1=CCCCC1 ZINC001755287567 1440802470 /nfs/dbraw/zinc/80/24/70/1440802470.db2.gz FOMKFFCXBJEEMT-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP O=C(NC1(C[NH2+]CC2CCC2)CCCCC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001755352845 1440828280 /nfs/dbraw/zinc/82/82/80/1440828280.db2.gz PBLYTLIMRVDPSJ-MOPGFXCFSA-N 2 1 347.547 3.212 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCCC[NH+]2CCC(C)(C)C)C1 ZINC001755367382 1440835331 /nfs/dbraw/zinc/83/53/31/1440835331.db2.gz GPUIHOFDBPXQEE-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CCCCC[N@@H+]2CCC(C)(C)C)C1 ZINC001755367382 1440835332 /nfs/dbraw/zinc/83/53/32/1440835332.db2.gz GPUIHOFDBPXQEE-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CCCCC[N@H+]2CCC(C)(C)C)C1 ZINC001755367382 1440835333 /nfs/dbraw/zinc/83/53/33/1440835333.db2.gz GPUIHOFDBPXQEE-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001755368484 1440836068 /nfs/dbraw/zinc/83/60/68/1440836068.db2.gz RXDNMQFYQVDDJS-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC001755412559 1440846977 /nfs/dbraw/zinc/84/69/77/1440846977.db2.gz VPPUXBABCCLTLQ-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001755531014 1440867338 /nfs/dbraw/zinc/86/73/38/1440867338.db2.gz YNDPLQXTEHGBSF-HXUWFJFHSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001755531014 1440867339 /nfs/dbraw/zinc/86/73/39/1440867339.db2.gz YNDPLQXTEHGBSF-HXUWFJFHSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001755531014 1440867340 /nfs/dbraw/zinc/86/73/40/1440867340.db2.gz YNDPLQXTEHGBSF-HXUWFJFHSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001755571150 1440876890 /nfs/dbraw/zinc/87/68/90/1440876890.db2.gz OBXLHYKVTBRZHG-WOJBJXKFSA-N 2 1 347.547 3.186 20 0 EGADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH2+]CC1=CCCCC1 ZINC001755590664 1440881482 /nfs/dbraw/zinc/88/14/82/1440881482.db2.gz PQYPLDJIESBLDT-PXNSSMCTSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H](C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCC1CCCC1)CC2)[NH+](C)C ZINC001755699516 1440899296 /nfs/dbraw/zinc/89/92/96/1440899296.db2.gz BYWJXQMBVCBBFU-CMKODMSKSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001755703516 1440901367 /nfs/dbraw/zinc/90/13/67/1440901367.db2.gz YKERFBGOFPKUCG-ICSRJNTNSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C3CCC3)CCC[C@H]12 ZINC001755703516 1440901368 /nfs/dbraw/zinc/90/13/68/1440901368.db2.gz YKERFBGOFPKUCG-ICSRJNTNSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@H]12 ZINC001755703516 1440901369 /nfs/dbraw/zinc/90/13/69/1440901369.db2.gz YKERFBGOFPKUCG-ICSRJNTNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)[C@@H]1C ZINC001755722003 1440907770 /nfs/dbraw/zinc/90/77/70/1440907770.db2.gz DNQKLVXKDTXWDH-IAGOWNOFSA-N 2 1 325.541 3.122 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)[C@@H]1C ZINC001755722003 1440907771 /nfs/dbraw/zinc/90/77/71/1440907771.db2.gz DNQKLVXKDTXWDH-IAGOWNOFSA-N 2 1 325.541 3.122 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)[C@@H]1C ZINC001755722003 1440907772 /nfs/dbraw/zinc/90/77/72/1440907772.db2.gz DNQKLVXKDTXWDH-IAGOWNOFSA-N 2 1 325.541 3.122 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001755826301 1440927420 /nfs/dbraw/zinc/92/74/20/1440927420.db2.gz ODTQBNGZXRZQBS-MSOLQXFVSA-N 2 1 337.552 3.172 20 0 EGADMP CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001755846687 1440933530 /nfs/dbraw/zinc/93/35/30/1440933530.db2.gz KCPAUSPQASYQTF-DDRDIHNTSA-N 2 1 349.563 3.432 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001755851492 1440935120 /nfs/dbraw/zinc/93/51/20/1440935120.db2.gz YVQWTLDWEZUQDT-KRWDZBQOSA-N 2 1 335.536 3.045 20 0 EGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(C)CC2CC[NH+](C)CC2)nc1 ZINC001165045128 721938659 /nfs/dbraw/zinc/93/86/59/721938659.db2.gz URNGTOVYOQDKKV-IBGZPJMESA-N 2 1 330.520 3.407 20 0 EGADMP Fc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OCC(F)(F)F ZINC000368316032 168341954 /nfs/dbraw/zinc/34/19/54/168341954.db2.gz DTZRLBYXSOURPJ-KGLIPLIRSA-N 2 1 346.368 3.483 20 0 EGADMP Fc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OCC(F)(F)F ZINC000368316032 168341956 /nfs/dbraw/zinc/34/19/56/168341956.db2.gz DTZRLBYXSOURPJ-KGLIPLIRSA-N 2 1 346.368 3.483 20 0 EGADMP C[N@@H+](C[C@H](O)Cc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173977801 529961734 /nfs/dbraw/zinc/96/17/34/529961734.db2.gz AZUPXUYNUSYJOA-FCHUYYIVSA-N 2 1 338.495 3.044 20 0 EGADMP C[NH+](C[C@H](O)Cc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173977801 529961735 /nfs/dbraw/zinc/96/17/35/529961735.db2.gz AZUPXUYNUSYJOA-FCHUYYIVSA-N 2 1 338.495 3.044 20 0 EGADMP C[NH+](C[C@H](O)Cc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173977801 529961736 /nfs/dbraw/zinc/96/17/36/529961736.db2.gz AZUPXUYNUSYJOA-FCHUYYIVSA-N 2 1 338.495 3.044 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000177927040 232034544 /nfs/dbraw/zinc/03/45/44/232034544.db2.gz QTRZTWUCDZZJPY-XJKCOSOUSA-N 2 1 341.293 3.146 20 0 EGADMP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000178105157 232083553 /nfs/dbraw/zinc/08/35/53/232083553.db2.gz XBRCVPQDLMZPMB-LJQANCHMSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)CC[N@H+]1C ZINC000178462525 232174065 /nfs/dbraw/zinc/17/40/65/232174065.db2.gz AXRZVIOIRZWMFV-WMZOPIPTSA-N 2 1 344.499 3.342 20 0 EGADMP Cc1noc(CCC[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000268643009 282396535 /nfs/dbraw/zinc/39/65/35/282396535.db2.gz HSIIBAKXYRQTRI-UHFFFAOYSA-N 2 1 342.487 3.155 20 0 EGADMP C[NH+](C)CC1(C[NH2+]Cc2cncc(Br)c2)CCCC1 ZINC000183767814 235219962 /nfs/dbraw/zinc/21/99/62/235219962.db2.gz AJHQFPZTMMPLQW-UHFFFAOYSA-N 2 1 326.282 3.056 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cnn(C)c1 ZINC000370329129 299382700 /nfs/dbraw/zinc/38/27/00/299382700.db2.gz ZLOJNWOHIJUJRU-XIGKFDRGSA-N 2 1 338.499 3.371 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cn1 ZINC000245637512 243141406 /nfs/dbraw/zinc/14/14/06/243141406.db2.gz WDIJUXAZFQWXIM-QXAKKESOSA-N 2 1 338.455 3.013 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000247010834 243354772 /nfs/dbraw/zinc/35/47/72/243354772.db2.gz MEMZGDRSXYLRJE-HLIPFELVSA-N 2 1 326.488 3.080 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000343778941 284370459 /nfs/dbraw/zinc/37/04/59/284370459.db2.gz XNNWHLWOWKFWTP-MJGOQNOKSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000343778941 284370460 /nfs/dbraw/zinc/37/04/60/284370460.db2.gz XNNWHLWOWKFWTP-MJGOQNOKSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000343778941 284370461 /nfs/dbraw/zinc/37/04/61/284370461.db2.gz XNNWHLWOWKFWTP-MJGOQNOKSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000343778941 284370462 /nfs/dbraw/zinc/37/04/62/284370462.db2.gz XNNWHLWOWKFWTP-MJGOQNOKSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000093742030 218245208 /nfs/dbraw/zinc/24/52/08/218245208.db2.gz UZLXMKPFUKGDHZ-MRXNPFEDSA-N 2 1 326.431 3.494 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000093742030 218245211 /nfs/dbraw/zinc/24/52/11/218245211.db2.gz UZLXMKPFUKGDHZ-MRXNPFEDSA-N 2 1 326.431 3.494 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000093742030 218245214 /nfs/dbraw/zinc/24/52/14/218245214.db2.gz UZLXMKPFUKGDHZ-MRXNPFEDSA-N 2 1 326.431 3.494 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000093742030 218245216 /nfs/dbraw/zinc/24/52/16/218245216.db2.gz UZLXMKPFUKGDHZ-MRXNPFEDSA-N 2 1 326.431 3.494 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261679376 296314280 /nfs/dbraw/zinc/31/42/80/296314280.db2.gz GQTATEGDXKNVEL-MBOZVWFJSA-N 2 1 343.515 3.052 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2c1cnn2C ZINC000152955239 224037310 /nfs/dbraw/zinc/03/73/10/224037310.db2.gz ZJWRIRYCPKLOHD-LSTHTHJFSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2c1cnn2C ZINC000152955239 224037311 /nfs/dbraw/zinc/03/73/11/224037311.db2.gz ZJWRIRYCPKLOHD-LSTHTHJFSA-N 2 1 338.499 3.298 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000268744681 252195151 /nfs/dbraw/zinc/19/51/51/252195151.db2.gz FEQZCJNNBBTIFK-QFBILLFUSA-N 2 1 325.456 3.090 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000268744681 252195154 /nfs/dbraw/zinc/19/51/54/252195154.db2.gz FEQZCJNNBBTIFK-QFBILLFUSA-N 2 1 325.456 3.090 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268786164 252237176 /nfs/dbraw/zinc/23/71/76/252237176.db2.gz RZRYPKCFAVAYQP-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268786164 252237178 /nfs/dbraw/zinc/23/71/78/252237178.db2.gz RZRYPKCFAVAYQP-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268804428 252257289 /nfs/dbraw/zinc/25/72/89/252257289.db2.gz CEHPOYVQQGNWPY-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268804428 252257294 /nfs/dbraw/zinc/25/72/94/252257294.db2.gz CEHPOYVQQGNWPY-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268804428 252257298 /nfs/dbraw/zinc/25/72/98/252257298.db2.gz CEHPOYVQQGNWPY-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000268804428 252257303 /nfs/dbraw/zinc/25/73/03/252257303.db2.gz CEHPOYVQQGNWPY-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000268804428 252257309 /nfs/dbraw/zinc/25/73/09/252257309.db2.gz CEHPOYVQQGNWPY-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268804428 252257313 /nfs/dbraw/zinc/25/73/13/252257313.db2.gz CEHPOYVQQGNWPY-HMXCVIKNSA-N 3 1 329.532 3.361 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268804428 252257315 /nfs/dbraw/zinc/25/73/15/252257315.db2.gz CEHPOYVQQGNWPY-HMXCVIKNSA-N 3 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268804428 252257319 /nfs/dbraw/zinc/25/73/19/252257319.db2.gz CEHPOYVQQGNWPY-HMXCVIKNSA-N 3 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268804428 252257324 /nfs/dbraw/zinc/25/73/24/252257324.db2.gz CEHPOYVQQGNWPY-HMXCVIKNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268839259 252287697 /nfs/dbraw/zinc/28/76/97/252287697.db2.gz ZDHDMCAHWOWVNW-AWEZNQCLSA-N 2 1 344.484 3.187 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268870838 252319563 /nfs/dbraw/zinc/31/95/63/252319563.db2.gz HNYMHVPMZLGDSV-QGZVFWFLSA-N 3 1 344.503 3.263 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000248434748 285322035 /nfs/dbraw/zinc/32/20/35/285322035.db2.gz FAEDGEPGQNIRNY-CTNGQTDRSA-N 2 1 340.442 3.169 20 0 EGADMP c1ccc(OCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000328606923 258040545 /nfs/dbraw/zinc/04/05/45/258040545.db2.gz TYUFTKQVUFNJGU-LJQANCHMSA-N 2 1 325.456 3.105 20 0 EGADMP c1ccc(OCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000328606923 258040546 /nfs/dbraw/zinc/04/05/46/258040546.db2.gz TYUFTKQVUFNJGU-LJQANCHMSA-N 2 1 325.456 3.105 20 0 EGADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000168306469 533360513 /nfs/dbraw/zinc/36/05/13/533360513.db2.gz NJACCMGKFAERCV-HUUCEWRRSA-N 2 1 347.528 3.489 20 0 EGADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000153170913 533364164 /nfs/dbraw/zinc/36/41/64/533364164.db2.gz AJLTVIARIJYCPH-HLLBOEOZSA-N 2 1 334.504 3.300 20 0 EGADMP COc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC(F)F ZINC000153705241 533502900 /nfs/dbraw/zinc/50/29/00/533502900.db2.gz TTYPJQSYSLMEKZ-NFAWXSAZSA-N 2 1 342.430 3.157 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000237438910 141002821 /nfs/dbraw/zinc/00/28/21/141002821.db2.gz ILENKOHPWXBYAH-IEBWSBKVSA-N 2 1 331.504 3.065 20 0 EGADMP CC(C)C[C@H](NC(=O)CN(C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000246996076 141048370 /nfs/dbraw/zinc/04/83/70/141048370.db2.gz PTNRGOPTWQAUOR-ICSRJNTNSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338046758 141081258 /nfs/dbraw/zinc/08/12/58/141081258.db2.gz LDSONILYHZFZMH-GJNTUIEKSA-N 2 1 343.515 3.199 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338046758 141081259 /nfs/dbraw/zinc/08/12/59/141081259.db2.gz LDSONILYHZFZMH-GJNTUIEKSA-N 2 1 343.515 3.199 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338046758 141081260 /nfs/dbraw/zinc/08/12/60/141081260.db2.gz LDSONILYHZFZMH-GJNTUIEKSA-N 2 1 343.515 3.199 20 0 EGADMP C[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338070035 141087364 /nfs/dbraw/zinc/08/73/64/141087364.db2.gz UUAXQLUFFITXIW-BBWFWOEESA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+](CC)CCC[NH2+]C1(c2ccc(OC)c(F)c2)CCOCC1 ZINC000338374539 141110829 /nfs/dbraw/zinc/11/08/29/141110829.db2.gz UQMLAQAOWFKBJT-UHFFFAOYSA-N 2 1 338.467 3.162 20 0 EGADMP CN(c1ccccc1CNc1[nH]c2ccccc2[nH+]1)C1CC[NH+](C)CC1 ZINC000347885979 141210364 /nfs/dbraw/zinc/21/03/64/141210364.db2.gz CERNKCUUVRPNDD-UHFFFAOYSA-N 2 1 349.482 3.127 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)[C@H](C)[C@H]2C)cc1 ZINC000356832602 141350754 /nfs/dbraw/zinc/35/07/54/141350754.db2.gz ASBKAXLFPZRQOJ-IAGOWNOFSA-N 2 1 331.504 3.083 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1 ZINC000356832602 141350755 /nfs/dbraw/zinc/35/07/55/141350755.db2.gz ASBKAXLFPZRQOJ-IAGOWNOFSA-N 2 1 331.504 3.083 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1 ZINC000356832602 141350756 /nfs/dbraw/zinc/35/07/56/141350756.db2.gz ASBKAXLFPZRQOJ-IAGOWNOFSA-N 2 1 331.504 3.083 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)[C@@H](C)[C@@H]2C)cc1 ZINC000356832604 141350905 /nfs/dbraw/zinc/35/09/05/141350905.db2.gz ASBKAXLFPZRQOJ-IRXDYDNUSA-N 2 1 331.504 3.083 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1 ZINC000356832604 141350907 /nfs/dbraw/zinc/35/09/07/141350907.db2.gz ASBKAXLFPZRQOJ-IRXDYDNUSA-N 2 1 331.504 3.083 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1 ZINC000356832604 141350910 /nfs/dbraw/zinc/35/09/10/141350910.db2.gz ASBKAXLFPZRQOJ-IRXDYDNUSA-N 2 1 331.504 3.083 20 0 EGADMP CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000185601935 144116209 /nfs/dbraw/zinc/11/62/09/144116209.db2.gz MWKIHTCLKLRPIE-XLIONFOSSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000344685667 144210029 /nfs/dbraw/zinc/21/00/29/144210029.db2.gz JMDSJHHZZQMNBF-WSTZPKSXSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000344685667 144210031 /nfs/dbraw/zinc/21/00/31/144210031.db2.gz JMDSJHHZZQMNBF-WSTZPKSXSA-N 2 1 345.531 3.164 20 0 EGADMP CN(C[C@@H](O)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)C1CC1 ZINC000351379500 144262752 /nfs/dbraw/zinc/26/27/52/144262752.db2.gz COFPQCXIRQTVBL-IRLDBZIGSA-N 2 1 336.479 3.089 20 0 EGADMP CN(C[C@@H](O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)C1CC1 ZINC000351379500 144262754 /nfs/dbraw/zinc/26/27/54/144262754.db2.gz COFPQCXIRQTVBL-IRLDBZIGSA-N 2 1 336.479 3.089 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)C[C@H]12 ZINC000351489395 144268480 /nfs/dbraw/zinc/26/84/80/144268480.db2.gz HAFQDKMVHJOVJB-LSTHTHJFSA-N 2 1 347.547 3.150 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)C[C@H]12 ZINC000351489395 144268482 /nfs/dbraw/zinc/26/84/82/144268482.db2.gz HAFQDKMVHJOVJB-LSTHTHJFSA-N 2 1 347.547 3.150 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc12 ZINC000363784013 144366524 /nfs/dbraw/zinc/36/65/24/144366524.db2.gz OMGKMMXVYZBXQU-GVDBMIGSSA-N 2 1 340.467 3.362 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccccc12 ZINC000363784013 144366525 /nfs/dbraw/zinc/36/65/25/144366525.db2.gz OMGKMMXVYZBXQU-GVDBMIGSSA-N 2 1 340.467 3.362 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC3(CCCO3)CC2)[C@H](C)C1 ZINC000370063682 286058724 /nfs/dbraw/zinc/05/87/24/286058724.db2.gz RSULDVMBRPDPOG-ADEKHHIBSA-N 2 1 338.536 3.205 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000341407061 155275179 /nfs/dbraw/zinc/27/51/79/155275179.db2.gz VDINVAMKCDQPMK-XLIONFOSSA-N 2 1 343.515 3.203 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000341456766 155302911 /nfs/dbraw/zinc/30/29/11/155302911.db2.gz NDFMNPPPSMELHQ-CQSZACIVSA-N 2 1 326.444 3.281 20 0 EGADMP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC[C@@H]1CCC[NH+]1C ZINC000120325033 152267956 /nfs/dbraw/zinc/26/79/56/152267956.db2.gz QQCOGBIABHJLLE-IBGZPJMESA-N 2 1 326.488 3.425 20 0 EGADMP C[NH+](CCCc1cc(-c2ccccc2)n[nH]1)CC[C@@H]1CCC[N@@H+]1C ZINC000120325033 152267957 /nfs/dbraw/zinc/26/79/57/152267957.db2.gz QQCOGBIABHJLLE-IBGZPJMESA-N 2 1 326.488 3.425 20 0 EGADMP C[NH+](CCCc1cc(-c2ccccc2)n[nH]1)CC[C@@H]1CCC[N@H+]1C ZINC000120325033 152267958 /nfs/dbraw/zinc/26/79/58/152267958.db2.gz QQCOGBIABHJLLE-IBGZPJMESA-N 2 1 326.488 3.425 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCN1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000120672389 152292480 /nfs/dbraw/zinc/29/24/80/152292480.db2.gz UWRVDCAWOWNDMH-GOSISDBHSA-N 2 1 340.471 3.400 20 0 EGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000120672389 152292481 /nfs/dbraw/zinc/29/24/81/152292481.db2.gz UWRVDCAWOWNDMH-GOSISDBHSA-N 2 1 340.471 3.400 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000120672389 152292482 /nfs/dbraw/zinc/29/24/82/152292482.db2.gz UWRVDCAWOWNDMH-GOSISDBHSA-N 2 1 340.471 3.400 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000192042641 153239005 /nfs/dbraw/zinc/23/90/05/153239005.db2.gz NFXQIYUBUPEIDR-LJQANCHMSA-N 2 1 338.499 3.489 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000340003978 155067933 /nfs/dbraw/zinc/06/79/33/155067933.db2.gz OXDDKXVKKVKJRO-DLBZAZTESA-N 2 1 348.450 3.069 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000347003933 156241181 /nfs/dbraw/zinc/24/11/81/156241181.db2.gz ADNOFTRYDIUPCV-DLBZAZTESA-N 2 1 325.456 3.220 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)C[C@@H]2C(C)C)cc1 ZINC000348964398 156302568 /nfs/dbraw/zinc/30/25/68/156302568.db2.gz QPZTWGSIMYCSRI-HXUWFJFHSA-N 2 1 345.531 3.331 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1 ZINC000348964398 156302575 /nfs/dbraw/zinc/30/25/75/156302575.db2.gz QPZTWGSIMYCSRI-HXUWFJFHSA-N 2 1 345.531 3.331 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1 ZINC000348964398 156302576 /nfs/dbraw/zinc/30/25/76/156302576.db2.gz QPZTWGSIMYCSRI-HXUWFJFHSA-N 2 1 345.531 3.331 20 0 EGADMP CN(CC[N@@H+](C)Cc1ccc(-c2ccccc2)o1)C1CC[NH+](C)CC1 ZINC000349033785 156324760 /nfs/dbraw/zinc/32/47/60/156324760.db2.gz BCJRSNVFSFVYQG-UHFFFAOYSA-N 2 1 341.499 3.404 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc2[nH]ccc21 ZINC000349039490 156328775 /nfs/dbraw/zinc/32/87/75/156328775.db2.gz YJOBNSNSRREMPW-SFHVURJKSA-N 2 1 328.504 3.016 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)Cc3ccc4ccccc4c3)CC[C@@H]21 ZINC000365559664 157169400 /nfs/dbraw/zinc/16/94/00/157169400.db2.gz SVRTWRYANYKSJV-FSSWDIPSSA-N 2 1 338.495 3.159 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccc4ccccc4c3)CC[C@@H]21 ZINC000365559664 157169405 /nfs/dbraw/zinc/16/94/05/157169405.db2.gz SVRTWRYANYKSJV-FSSWDIPSSA-N 2 1 338.495 3.159 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]CCC[N@H+]3C[C@H](C)C[C@H](C)C3)c(C)n2n1 ZINC000093398465 162009073 /nfs/dbraw/zinc/00/90/73/162009073.db2.gz HYYJWUJJMMMEMT-HLLBOEOZSA-N 2 1 343.519 3.365 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]CCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c(C)n2n1 ZINC000093398465 162009075 /nfs/dbraw/zinc/00/90/75/162009075.db2.gz HYYJWUJJMMMEMT-HLLBOEOZSA-N 2 1 343.519 3.365 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000093769460 162026473 /nfs/dbraw/zinc/02/64/73/162026473.db2.gz DIGFGCHZDSSNJF-UHFFFAOYSA-N 2 1 334.504 3.266 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000125171787 162266423 /nfs/dbraw/zinc/26/64/23/162266423.db2.gz CBJHGNGWKDQXFN-MSOLQXFVSA-N 2 1 345.531 3.449 20 0 EGADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@H]1CCN(c2ccccc2)C1=O ZINC000125520641 162275231 /nfs/dbraw/zinc/27/52/31/162275231.db2.gz YLZGVJBVCYNIJX-IBGZPJMESA-N 2 1 340.471 3.099 20 0 EGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H]1CCN(c2ccccc2)C1=O ZINC000125520641 162275233 /nfs/dbraw/zinc/27/52/33/162275233.db2.gz YLZGVJBVCYNIJX-IBGZPJMESA-N 2 1 340.471 3.099 20 0 EGADMP CC[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC000126464962 162304521 /nfs/dbraw/zinc/30/45/21/162304521.db2.gz AXIXWDJOVWVCAL-FQEVSTJZSA-N 2 1 345.531 3.408 20 0 EGADMP Cc1csc(N2CCC([NH2+]C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000126493588 162305572 /nfs/dbraw/zinc/30/55/72/162305572.db2.gz XARAHADEJRUBMG-ALOPSCKCSA-N 2 1 334.533 3.025 20 0 EGADMP Cc1csc(N2CCC([NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000126493588 162305575 /nfs/dbraw/zinc/30/55/75/162305575.db2.gz XARAHADEJRUBMG-ALOPSCKCSA-N 2 1 334.533 3.025 20 0 EGADMP Cc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)s1 ZINC000248452007 163006250 /nfs/dbraw/zinc/00/62/50/163006250.db2.gz PQAPJHJRUVXHKT-SCLBCKFNSA-N 2 1 345.512 3.177 20 0 EGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000248663329 163027451 /nfs/dbraw/zinc/02/74/51/163027451.db2.gz ZMRAMAQBTVIWEE-YHDCXSKOSA-N 2 1 342.483 3.113 20 0 EGADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000337245617 163178341 /nfs/dbraw/zinc/17/83/41/163178341.db2.gz HHWUZQDQIZNQFK-WQMJKPAKSA-N 2 1 330.394 3.011 20 0 EGADMP CCOC[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000354332549 166004319 /nfs/dbraw/zinc/00/43/19/166004319.db2.gz IIUCRVZLRZZTOA-MOPGFXCFSA-N 2 1 349.519 3.298 20 0 EGADMP Cn1cc(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)s2)cn1 ZINC000338943992 163397706 /nfs/dbraw/zinc/39/77/06/163397706.db2.gz CKBDIPCTWXFKGH-INIZCTEOSA-N 2 1 344.528 3.312 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)s2)cn1 ZINC000338943992 163397707 /nfs/dbraw/zinc/39/77/07/163397707.db2.gz CKBDIPCTWXFKGH-INIZCTEOSA-N 2 1 344.528 3.312 20 0 EGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)s2)cn1 ZINC000338943992 163397708 /nfs/dbraw/zinc/39/77/08/163397708.db2.gz CKBDIPCTWXFKGH-INIZCTEOSA-N 2 1 344.528 3.312 20 0 EGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)s2)cn1 ZINC000338943992 163397709 /nfs/dbraw/zinc/39/77/09/163397709.db2.gz CKBDIPCTWXFKGH-INIZCTEOSA-N 2 1 344.528 3.312 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(F)c3cccnc23)C[C@H](C)O1 ZINC000343779821 164033529 /nfs/dbraw/zinc/03/35/29/164033529.db2.gz KZEWNSJNIQICQW-IYBDPMFKSA-N 2 1 345.462 3.353 20 0 EGADMP CCC1(CC)[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1OC ZINC000344088032 164100884 /nfs/dbraw/zinc/10/08/84/164100884.db2.gz NCRFNHBNDQHDGE-UXHICEINSA-N 2 1 346.515 3.202 20 0 EGADMP CCC1(CC)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C[C@H]1OC ZINC000344102921 164103122 /nfs/dbraw/zinc/10/31/22/164103122.db2.gz UYDJPPHRWOXLMS-WOJBJXKFSA-N 2 1 346.515 3.202 20 0 EGADMP CCN(CCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)CC(F)(F)F ZINC000354823803 166041143 /nfs/dbraw/zinc/04/11/43/166041143.db2.gz XZRXEXUCUNUQLG-MRXNPFEDSA-N 2 1 335.458 3.211 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)sc2C1 ZINC000344198792 164124715 /nfs/dbraw/zinc/12/47/15/164124715.db2.gz CKEJRWPVWJSFTJ-VHSSKADRSA-N 2 1 349.544 3.203 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)sc2C1 ZINC000344198792 164124718 /nfs/dbraw/zinc/12/47/18/164124718.db2.gz CKEJRWPVWJSFTJ-VHSSKADRSA-N 2 1 349.544 3.203 20 0 EGADMP CC[C@@]1(C)CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000344246271 164135835 /nfs/dbraw/zinc/13/58/35/164135835.db2.gz XCZQXYDLUBMCNM-NRFANRHFSA-N 2 1 343.515 3.021 20 0 EGADMP CC[C@@H](C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)[NH+](CC)CC ZINC000345760191 164260515 /nfs/dbraw/zinc/26/05/15/164260515.db2.gz CYUSGBFNAPNSKQ-IBGZPJMESA-N 2 1 345.531 3.060 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000345818112 164271753 /nfs/dbraw/zinc/27/17/53/164271753.db2.gz QAXJQJRYEVYQDJ-KRWDZBQOSA-N 2 1 334.508 3.025 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000345818112 164271754 /nfs/dbraw/zinc/27/17/54/164271754.db2.gz QAXJQJRYEVYQDJ-KRWDZBQOSA-N 2 1 334.508 3.025 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)cc1)C1CC1 ZINC000345891873 164288288 /nfs/dbraw/zinc/28/82/88/164288288.db2.gz SUIOCBKLZGNMNK-PMACEKPBSA-N 2 1 341.499 3.028 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1)C1CC1 ZINC000345891873 164288290 /nfs/dbraw/zinc/28/82/90/164288290.db2.gz SUIOCBKLZGNMNK-PMACEKPBSA-N 2 1 341.499 3.028 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1)C1CC1 ZINC000345891873 164288292 /nfs/dbraw/zinc/28/82/92/164288292.db2.gz SUIOCBKLZGNMNK-PMACEKPBSA-N 2 1 341.499 3.028 20 0 EGADMP CC(C)[NH+](CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000345940135 164300438 /nfs/dbraw/zinc/30/04/38/164300438.db2.gz XCGIJIIXOITEGY-FQEVSTJZSA-N 2 1 345.531 3.134 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+](CC)CC ZINC000346154185 164352312 /nfs/dbraw/zinc/35/23/12/164352312.db2.gz SNLAVGNXSDOIOY-IPMKNSEASA-N 2 1 337.552 3.220 20 0 EGADMP Cc1ccn2c(C[N@@H+](C)CC3CCN(c4cc[nH+]cc4)CC3)cnc2c1 ZINC000350230145 165020465 /nfs/dbraw/zinc/02/04/65/165020465.db2.gz YGIRHVRQMINLGI-UHFFFAOYSA-N 2 1 349.482 3.386 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC000350331346 165031969 /nfs/dbraw/zinc/03/19/69/165031969.db2.gz QIZGORMAUBKJBN-CABCVRRESA-N 2 1 326.431 3.459 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC000350331346 165031971 /nfs/dbraw/zinc/03/19/71/165031971.db2.gz QIZGORMAUBKJBN-CABCVRRESA-N 2 1 326.431 3.459 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC[C@H]2CCCCO2)[C@@H](C)C1 ZINC000354989411 166080444 /nfs/dbraw/zinc/08/04/44/166080444.db2.gz YVHQOECPKRLLTK-OTWHNJEPSA-N 2 1 326.525 3.062 20 0 EGADMP Cc1ccc2[nH]c(CN3CCC([N@@H+](C)CCCO)CC3)cc2c1C ZINC000351996882 165184760 /nfs/dbraw/zinc/18/47/60/165184760.db2.gz QLJVCZWYOUHGEA-UHFFFAOYSA-N 2 1 329.488 3.063 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C)[NH+](C)C[C@H]2C)cc1)C(C)C ZINC000352012472 165192216 /nfs/dbraw/zinc/19/22/16/165192216.db2.gz FOAUAUDTSBQIMU-DLBZAZTESA-N 2 1 331.504 3.082 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1)C(C)C ZINC000352012472 165192219 /nfs/dbraw/zinc/19/22/19/165192219.db2.gz FOAUAUDTSBQIMU-DLBZAZTESA-N 2 1 331.504 3.082 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1)C(C)C ZINC000352012472 165192220 /nfs/dbraw/zinc/19/22/20/165192220.db2.gz FOAUAUDTSBQIMU-DLBZAZTESA-N 2 1 331.504 3.082 20 0 EGADMP C[N@@H+](CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1CCCC1 ZINC000355193473 166128013 /nfs/dbraw/zinc/12/80/13/166128013.db2.gz IIQPBIQZHXIUIO-UHFFFAOYSA-N 2 1 343.515 3.277 20 0 EGADMP CC(C)Cn1cc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000355292422 166155637 /nfs/dbraw/zinc/15/56/37/166155637.db2.gz PAVXXYKYLJRIAV-OYRHEFFESA-N 2 1 338.499 3.103 20 0 EGADMP CN(C)[C@H](C(=O)N1CCC2(CCC[N@H+]2C)CC1)c1cccc(Cl)c1 ZINC000355347275 166170238 /nfs/dbraw/zinc/17/02/38/166170238.db2.gz MHQOWMXJTJFIKA-KRWDZBQOSA-N 2 1 349.906 3.030 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)c1cccc(Cl)c1 ZINC000355347275 166170242 /nfs/dbraw/zinc/17/02/42/166170242.db2.gz MHQOWMXJTJFIKA-KRWDZBQOSA-N 2 1 349.906 3.030 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC2(CCC[N@H+]2C)CC1)c1cccc(Cl)c1 ZINC000355347275 166170245 /nfs/dbraw/zinc/17/02/45/166170245.db2.gz MHQOWMXJTJFIKA-KRWDZBQOSA-N 2 1 349.906 3.030 20 0 EGADMP CC[C@H](C(=O)N(CC)CCC[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000355996975 166369802 /nfs/dbraw/zinc/36/98/02/166369802.db2.gz ZPCVPPKHWXIYDD-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP COC(=O)c1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)[nH]1 ZINC000359221721 167100282 /nfs/dbraw/zinc/10/02/82/167100282.db2.gz HYZGSLFAFQWJGC-MRXNPFEDSA-N 2 1 347.503 3.278 20 0 EGADMP CC(C)(C)OC1CC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000359240977 167104161 /nfs/dbraw/zinc/10/41/61/167104161.db2.gz ZFTJSPZVTYVWGN-IOJLRTSASA-N 2 1 346.515 3.079 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000359311017 167122471 /nfs/dbraw/zinc/12/24/71/167122471.db2.gz KJZJFMBRGSLQJM-QUCCMNQESA-N 2 1 343.515 3.203 20 0 EGADMP Cc1nn(C(C)C)cc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000366965939 168163107 /nfs/dbraw/zinc/16/31/07/168163107.db2.gz JKMNDPRMKYCGQJ-CALCHBBNSA-N 2 1 348.535 3.094 20 0 EGADMP C[C@@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367030484 168171294 /nfs/dbraw/zinc/17/12/94/168171294.db2.gz QSFDFKFAPPWDSU-YLJYHZDGSA-N 2 1 349.950 3.230 20 0 EGADMP CCCC[N@@H+](CCCO)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000367656371 168255432 /nfs/dbraw/zinc/25/54/32/168255432.db2.gz BWVXAMLBOQZCFQ-UHFFFAOYSA-N 2 1 347.547 3.202 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C[C@@H]4CC=CCC4)CC3)C2)cc1 ZINC000367668657 168257305 /nfs/dbraw/zinc/25/73/05/168257305.db2.gz JDPGRISVHBHQND-IFMALSPDSA-N 2 1 339.527 3.235 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367904964 168282716 /nfs/dbraw/zinc/28/27/16/168282716.db2.gz SPNVIDQDAJCSKR-PMXSJFBMSA-N 2 1 330.516 3.285 20 0 EGADMP C[N@@H+](C/C=C/c1ccc(F)c(F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368051268 168303732 /nfs/dbraw/zinc/30/37/32/168303732.db2.gz LNRZMXLEHITBSQ-OAJJDEHYSA-N 2 1 349.469 3.078 20 0 EGADMP Cn1cncc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000368091043 168309186 /nfs/dbraw/zinc/30/91/86/168309186.db2.gz VFAKGGAHOIEINJ-CEWLAPEOSA-N 2 1 338.499 3.201 20 0 EGADMP CCCC[NH+]1CCC([NH2+]Cc2cncc(Br)c2)CC1 ZINC000157879458 264842780 /nfs/dbraw/zinc/84/27/80/264842780.db2.gz ZNQDORNZAQVEKN-UHFFFAOYSA-N 2 1 326.282 3.198 20 0 EGADMP C[N@H+](CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)C1CCCC1 ZINC000174031744 265019535 /nfs/dbraw/zinc/01/95/35/265019535.db2.gz KFQMUPYIYLYYSG-UHFFFAOYSA-N 2 1 339.524 3.286 20 0 EGADMP C[N@@H+](CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)C1CCCC1 ZINC000174031744 265019538 /nfs/dbraw/zinc/01/95/38/265019538.db2.gz KFQMUPYIYLYYSG-UHFFFAOYSA-N 2 1 339.524 3.286 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000174966641 265082627 /nfs/dbraw/zinc/08/26/27/265082627.db2.gz YFACICQQLCCNTB-MRXNPFEDSA-N 2 1 344.455 3.383 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000174966641 265082629 /nfs/dbraw/zinc/08/26/29/265082629.db2.gz YFACICQQLCCNTB-MRXNPFEDSA-N 2 1 344.455 3.383 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000174966641 265082632 /nfs/dbraw/zinc/08/26/32/265082632.db2.gz YFACICQQLCCNTB-MRXNPFEDSA-N 2 1 344.455 3.383 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000174966641 265082636 /nfs/dbraw/zinc/08/26/36/265082636.db2.gz YFACICQQLCCNTB-MRXNPFEDSA-N 2 1 344.455 3.383 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000179401244 265375541 /nfs/dbraw/zinc/37/55/41/265375541.db2.gz XCKCCPABDKHWRA-JXMROGBWSA-N 2 1 338.499 3.303 20 0 EGADMP Cc1ccc(CN(C)CC(O)C[N@@H+](C)Cc2ccc(C)s2)s1 ZINC000194473149 266120695 /nfs/dbraw/zinc/12/06/95/266120695.db2.gz BCTQQVDCCYNRLE-UHFFFAOYSA-N 2 1 338.542 3.351 20 0 EGADMP COc1c(C)cnc(CN(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1C ZINC000269650258 266334270 /nfs/dbraw/zinc/33/42/70/266334270.db2.gz IFEDLLUBSDKBGD-SFHVURJKSA-N 2 1 345.487 3.072 20 0 EGADMP c1cc2nsnc2c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000269667267 266337621 /nfs/dbraw/zinc/33/76/21/266337621.db2.gz QLOANOUDYKEHQG-CXAGYDPISA-N 2 1 328.485 3.140 20 0 EGADMP c1cc2nsnc2c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000269667267 266337622 /nfs/dbraw/zinc/33/76/22/266337622.db2.gz QLOANOUDYKEHQG-CXAGYDPISA-N 2 1 328.485 3.140 20 0 EGADMP c1cc2nsnc2c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000269667267 266337626 /nfs/dbraw/zinc/33/76/26/266337626.db2.gz QLOANOUDYKEHQG-CXAGYDPISA-N 2 1 328.485 3.140 20 0 EGADMP c1cc2nsnc2c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000269667267 266337630 /nfs/dbraw/zinc/33/76/30/266337630.db2.gz QLOANOUDYKEHQG-CXAGYDPISA-N 2 1 328.485 3.140 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273258290 267007902 /nfs/dbraw/zinc/00/79/02/267007902.db2.gz SRYJJGNHCZLOGN-PKOBYXMFSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274895958 267302777 /nfs/dbraw/zinc/30/27/77/267302777.db2.gz KHJCJVLGWFKDER-LDQXTDLNSA-N 2 1 342.458 3.359 20 0 EGADMP C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274895958 267302779 /nfs/dbraw/zinc/30/27/79/267302779.db2.gz KHJCJVLGWFKDER-LDQXTDLNSA-N 2 1 342.458 3.359 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3ccc(F)cc32)CCCO1 ZINC000278530780 268033543 /nfs/dbraw/zinc/03/35/43/268033543.db2.gz NLHUFXABDKYSEL-MAUKXSAKSA-N 2 1 336.451 3.130 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCOc3ccc(F)cc32)CCCO1 ZINC000278530780 268033544 /nfs/dbraw/zinc/03/35/44/268033544.db2.gz NLHUFXABDKYSEL-MAUKXSAKSA-N 2 1 336.451 3.130 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000181250115 274340536 /nfs/dbraw/zinc/34/05/36/274340536.db2.gz JCGUMFGZXSQZQG-UHQDVWGKSA-N 2 1 339.886 3.376 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000366419490 274355438 /nfs/dbraw/zinc/35/54/38/274355438.db2.gz SAILXUMXOPILGL-AHRSYUTCSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000366419490 274355439 /nfs/dbraw/zinc/35/54/39/274355439.db2.gz SAILXUMXOPILGL-AHRSYUTCSA-N 2 1 338.499 3.298 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](CCc2scnc2C)CC1 ZINC000179678472 275203133 /nfs/dbraw/zinc/20/31/33/275203133.db2.gz FYEPVCFEBUJFGH-UHFFFAOYSA-N 2 1 339.549 3.064 20 0 EGADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000279743136 275355371 /nfs/dbraw/zinc/35/53/71/275355371.db2.gz PFMWXZZXVUDWDT-FOIQADDNSA-N 2 1 336.439 3.442 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000279774309 275358366 /nfs/dbraw/zinc/35/83/66/275358366.db2.gz BQAMWWQFLCQNDZ-OAHLLOKOSA-N 2 1 347.894 3.275 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000279774309 275358367 /nfs/dbraw/zinc/35/83/67/275358367.db2.gz BQAMWWQFLCQNDZ-OAHLLOKOSA-N 2 1 347.894 3.275 20 0 EGADMP COc1ccccc1O[C@@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000286502294 276009022 /nfs/dbraw/zinc/00/90/22/276009022.db2.gz PTXOLKUQPHLGEC-QZTJIDSGSA-N 2 1 332.488 3.413 20 0 EGADMP COc1ccccc1O[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000286502294 276009025 /nfs/dbraw/zinc/00/90/25/276009025.db2.gz PTXOLKUQPHLGEC-QZTJIDSGSA-N 2 1 332.488 3.413 20 0 EGADMP COc1ccccc1O[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000286502294 276009026 /nfs/dbraw/zinc/00/90/26/276009026.db2.gz PTXOLKUQPHLGEC-QZTJIDSGSA-N 2 1 332.488 3.413 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352056453 276024826 /nfs/dbraw/zinc/02/48/26/276024826.db2.gz CNYQAMJXHWIGIO-WOJBJXKFSA-N 2 1 345.531 3.134 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247115902 276092499 /nfs/dbraw/zinc/09/24/99/276092499.db2.gz AGOLLZQMUDGETH-UFYCRDLUSA-N 2 1 343.515 3.012 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247115902 276092502 /nfs/dbraw/zinc/09/25/02/276092502.db2.gz AGOLLZQMUDGETH-UFYCRDLUSA-N 2 1 343.515 3.012 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247115902 276092504 /nfs/dbraw/zinc/09/25/04/276092504.db2.gz AGOLLZQMUDGETH-UFYCRDLUSA-N 2 1 343.515 3.012 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247115902 276092506 /nfs/dbraw/zinc/09/25/06/276092506.db2.gz AGOLLZQMUDGETH-UFYCRDLUSA-N 2 1 343.515 3.012 20 0 EGADMP Cc1nn(C)c2sc([C@@H](C)[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)cc12 ZINC000287221645 276098098 /nfs/dbraw/zinc/09/80/98/276098098.db2.gz XNTKMJMRYIMIFW-OLZOCXBDSA-N 2 1 329.473 3.053 20 0 EGADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000287351009 276110986 /nfs/dbraw/zinc/11/09/86/276110986.db2.gz GULXBPACMPALBV-BIRZXAFVSA-N 2 1 342.527 3.428 20 0 EGADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)o1 ZINC000288609976 276234163 /nfs/dbraw/zinc/23/41/63/276234163.db2.gz QNRUUPQNGHYXST-CRAIPNDOSA-N 2 1 343.471 3.418 20 0 EGADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000344186904 276252145 /nfs/dbraw/zinc/25/21/45/276252145.db2.gz FXZMVWHZXQHYOL-GHTZIAJQSA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@H+]1C[C@H](C)[C@H](NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000344186904 276252148 /nfs/dbraw/zinc/25/21/48/276252148.db2.gz FXZMVWHZXQHYOL-GHTZIAJQSA-N 2 1 329.532 3.348 20 0 EGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)CC[C@H]2CCCO2)CC1 ZINC000343466313 276262921 /nfs/dbraw/zinc/26/29/21/276262921.db2.gz IZTCFFZMOLPZMY-HXUWFJFHSA-N 2 1 345.531 3.220 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000355412751 276328576 /nfs/dbraw/zinc/32/85/76/276328576.db2.gz SHHJXLZPZODIHL-CALCHBBNSA-N 2 1 347.503 3.219 20 0 EGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(Br)c1 ZINC000289366864 276328603 /nfs/dbraw/zinc/32/86/03/276328603.db2.gz ORWLGWRECGQTQT-UHFFFAOYSA-N 2 1 341.293 3.231 20 0 EGADMP COCCOCc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000289520361 276352073 /nfs/dbraw/zinc/35/20/73/276352073.db2.gz BCZSPHNWLWTNIW-IBGZPJMESA-N 2 1 348.531 3.451 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1nccc2ccccc21 ZINC000289615507 276366924 /nfs/dbraw/zinc/36/69/24/276366924.db2.gz GOEQZNUMDFEAHF-DLBZAZTESA-N 2 1 339.483 3.386 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCc3ccsc3C2)CC1 ZINC000353684357 276388514 /nfs/dbraw/zinc/38/85/14/276388514.db2.gz RVJMLPNLXYKZMH-UHFFFAOYSA-N 2 1 341.524 3.448 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000289967401 276427108 /nfs/dbraw/zinc/42/71/08/276427108.db2.gz NDQPYDKGBANKHD-MSOLQXFVSA-N 2 1 340.471 3.381 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000351615994 277046170 /nfs/dbraw/zinc/04/61/70/277046170.db2.gz PILNHUZMTTYOKD-MSOLQXFVSA-N 2 1 345.535 3.058 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000351615994 277046172 /nfs/dbraw/zinc/04/61/72/277046172.db2.gz PILNHUZMTTYOKD-MSOLQXFVSA-N 2 1 345.535 3.058 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000351615994 277046174 /nfs/dbraw/zinc/04/61/74/277046174.db2.gz PILNHUZMTTYOKD-MSOLQXFVSA-N 2 1 345.535 3.058 20 0 EGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H](CC(N)=O)c2ccccc2)CC1 ZINC000354370954 278469515 /nfs/dbraw/zinc/46/95/15/278469515.db2.gz KLKHGMPAYAIKIJ-LSTHTHJFSA-N 2 1 343.515 3.236 20 0 EGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000357657507 279138547 /nfs/dbraw/zinc/13/85/47/279138547.db2.gz ZMPDWYGBDHFAGW-KRWDZBQOSA-N 2 1 348.535 3.056 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000073639877 307387460 /nfs/dbraw/zinc/38/74/60/307387460.db2.gz NZXKIWUTYRVJNE-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1F ZINC000414193310 309066066 /nfs/dbraw/zinc/06/60/66/309066066.db2.gz TVEJSMVKTOWETC-XJKSGUPXSA-N 2 1 328.859 3.488 20 0 EGADMP CO[C@](C)([C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000414227918 309067636 /nfs/dbraw/zinc/06/76/36/309067636.db2.gz LGRVHYPBJQVKRL-DYESRHJHSA-N 2 1 330.516 3.487 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000414246989 309068685 /nfs/dbraw/zinc/06/86/85/309068685.db2.gz CDFRZXFEZPELJE-UHFFFAOYSA-N 2 1 330.451 3.285 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)nn1C ZINC000414280543 309070356 /nfs/dbraw/zinc/07/03/56/309070356.db2.gz DETFOMILBPAALW-IAGOWNOFSA-N 2 1 340.515 3.496 20 0 EGADMP OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248422479 308003166 /nfs/dbraw/zinc/00/31/66/308003166.db2.gz YPSYNBPYBYIEQO-UQVNRYHBSA-N 2 1 328.500 3.038 20 0 EGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248424136 308003172 /nfs/dbraw/zinc/00/31/72/308003172.db2.gz HKHUYFGUXNNGFQ-WMQCIHAUSA-N 2 1 328.500 3.335 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2cc(C)ccc2C)[C@@H](C)C1 ZINC000248865299 308013671 /nfs/dbraw/zinc/01/36/71/308013671.db2.gz AUQTYFFWPZAYAV-PMACEKPBSA-N 2 1 348.531 3.409 20 0 EGADMP C[C@H](Cc1ccccc1F)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000249169647 308020608 /nfs/dbraw/zinc/02/06/08/308020608.db2.gz AQAQGRGYBSRPFJ-OXQOHEQNSA-N 2 1 342.458 3.113 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CCN1C ZINC000249503326 308024794 /nfs/dbraw/zinc/02/47/94/308024794.db2.gz JNTCNGFYCRMXBP-JTDSTZFVSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000249503326 308024796 /nfs/dbraw/zinc/02/47/96/308024796.db2.gz JNTCNGFYCRMXBP-JTDSTZFVSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000249503326 308024797 /nfs/dbraw/zinc/02/47/97/308024797.db2.gz JNTCNGFYCRMXBP-JTDSTZFVSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000249503326 308024799 /nfs/dbraw/zinc/02/47/99/308024799.db2.gz JNTCNGFYCRMXBP-JTDSTZFVSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000249503326 308024801 /nfs/dbraw/zinc/02/48/01/308024801.db2.gz JNTCNGFYCRMXBP-JTDSTZFVSA-N 2 1 339.524 3.048 20 0 EGADMP CCc1ncc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000414446343 309080732 /nfs/dbraw/zinc/08/07/32/309080732.db2.gz YIRKCXQIGYLKCH-NRFANRHFSA-N 2 1 336.483 3.137 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000262664095 308065004 /nfs/dbraw/zinc/06/50/04/308065004.db2.gz IGRUWDITJPYPEF-MSOLQXFVSA-N 2 1 345.531 3.169 20 0 EGADMP COc1ccc(-c2ccncc2)cc1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292874031 308075247 /nfs/dbraw/zinc/07/52/47/308075247.db2.gz WSDCGCHKSYBJTP-NRFANRHFSA-N 2 1 337.467 3.285 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292874031 308075248 /nfs/dbraw/zinc/07/52/48/308075248.db2.gz WSDCGCHKSYBJTP-NRFANRHFSA-N 2 1 337.467 3.285 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292874031 308075249 /nfs/dbraw/zinc/07/52/49/308075249.db2.gz WSDCGCHKSYBJTP-NRFANRHFSA-N 2 1 337.467 3.285 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292874031 308075250 /nfs/dbraw/zinc/07/52/50/308075250.db2.gz WSDCGCHKSYBJTP-NRFANRHFSA-N 2 1 337.467 3.285 20 0 EGADMP C[C@H](c1nc(-c2ccccc2)no1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292997962 308088502 /nfs/dbraw/zinc/08/85/02/308088502.db2.gz OPCXNDYAGYLGFK-BEFAXECRSA-N 2 1 326.444 3.215 20 0 EGADMP Cc1nnc([C@H](C)[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000293418490 308129057 /nfs/dbraw/zinc/12/90/57/308129057.db2.gz SORSOMKBUZMYOD-INIZCTEOSA-N 2 1 340.471 3.427 20 0 EGADMP Cc1nnc([C@H](C)[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000293418490 308129059 /nfs/dbraw/zinc/12/90/59/308129059.db2.gz SORSOMKBUZMYOD-INIZCTEOSA-N 2 1 340.471 3.427 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2conc2C)cc1OC ZINC000293708169 308154633 /nfs/dbraw/zinc/15/46/33/308154633.db2.gz XQZWTLXFCMPHFQ-UHFFFAOYSA-N 2 1 347.459 3.002 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC2(CC1)OCCCO2 ZINC000293749453 308158362 /nfs/dbraw/zinc/15/83/62/308158362.db2.gz WRGLCBATQPBYPI-UHFFFAOYSA-N 2 1 346.515 3.374 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC2(CC1)OCCCO2 ZINC000293749453 308158363 /nfs/dbraw/zinc/15/83/63/308158363.db2.gz WRGLCBATQPBYPI-UHFFFAOYSA-N 2 1 346.515 3.374 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCCCC[NH+]1CCCC1)c1ccccc1 ZINC000293977287 308179784 /nfs/dbraw/zinc/17/97/84/308179784.db2.gz RHDPVLBPBZFFON-LJQANCHMSA-N 2 1 331.504 3.062 20 0 EGADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@@H+](Cc2ccccc2)C1 ZINC000295122713 308294330 /nfs/dbraw/zinc/29/43/30/308294330.db2.gz XOYHLPMYRWHWFH-HYCNCBECSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH+](Cc2ccccc2)C1 ZINC000295122713 308294331 /nfs/dbraw/zinc/29/43/31/308294331.db2.gz XOYHLPMYRWHWFH-HYCNCBECSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH+](Cc2ccccc2)C1 ZINC000295122713 308294332 /nfs/dbraw/zinc/29/43/32/308294332.db2.gz XOYHLPMYRWHWFH-HYCNCBECSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN(Cc2ccccc2)C1 ZINC000295122713 308294333 /nfs/dbraw/zinc/29/43/33/308294333.db2.gz XOYHLPMYRWHWFH-HYCNCBECSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN(Cc2ccccc2)C1 ZINC000295122713 308294334 /nfs/dbraw/zinc/29/43/34/308294334.db2.gz XOYHLPMYRWHWFH-HYCNCBECSA-N 2 1 327.516 3.112 20 0 EGADMP CCOC(=O)c1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)[nH]c1C ZINC000295563126 308338964 /nfs/dbraw/zinc/33/89/64/308338964.db2.gz ZFWTYVIANVLVGP-GOEBONIOSA-N 2 1 347.503 3.242 20 0 EGADMP COCC[N@H+](Cc1ccc(F)cc1Cl)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414701222 309096249 /nfs/dbraw/zinc/09/62/49/309096249.db2.gz UKTOLGMJPGFJMO-KBPBESRZSA-N 2 1 328.859 3.316 20 0 EGADMP COc1ccc(Br)cc1C[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414675231 309095087 /nfs/dbraw/zinc/09/50/87/309095087.db2.gz FLRTXSSQNCDYRM-QWHCGFSZSA-N 2 1 341.293 3.278 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000414719010 309097354 /nfs/dbraw/zinc/09/73/54/309097354.db2.gz XFGNDRDFNZCPEF-INIZCTEOSA-N 2 1 330.476 3.016 20 0 EGADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414771656 309099989 /nfs/dbraw/zinc/09/99/89/309099989.db2.gz AFAVZNUCKBBYKV-HOTGVXAUSA-N 2 1 328.435 3.037 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744346 309098430 /nfs/dbraw/zinc/09/84/30/309098430.db2.gz PLXMVWAJRXBMCQ-FCEUIQTBSA-N 3 1 341.543 3.363 20 0 EGADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744346 309098431 /nfs/dbraw/zinc/09/84/31/309098431.db2.gz PLXMVWAJRXBMCQ-FCEUIQTBSA-N 3 1 341.543 3.363 20 0 EGADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744346 309098432 /nfs/dbraw/zinc/09/84/32/309098432.db2.gz PLXMVWAJRXBMCQ-FCEUIQTBSA-N 3 1 341.543 3.363 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744346 309098433 /nfs/dbraw/zinc/09/84/33/309098433.db2.gz PLXMVWAJRXBMCQ-FCEUIQTBSA-N 2 1 341.543 3.363 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744346 309098434 /nfs/dbraw/zinc/09/84/34/309098434.db2.gz PLXMVWAJRXBMCQ-FCEUIQTBSA-N 2 1 341.543 3.363 20 0 EGADMP COc1ccc(Br)c(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414752465 309098780 /nfs/dbraw/zinc/09/87/80/309098780.db2.gz KSZJHGHPOVDGMD-QWHCGFSZSA-N 2 1 341.293 3.278 20 0 EGADMP COc1ccc(Br)c(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414752460 309098787 /nfs/dbraw/zinc/09/87/87/309098787.db2.gz KSZJHGHPOVDGMD-CHWSQXEVSA-N 2 1 341.293 3.278 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)CC[NH2+]1 ZINC000414751037 309098817 /nfs/dbraw/zinc/09/88/17/309098817.db2.gz ZJCKGQSZVAKPMQ-KZNAEPCWSA-N 2 1 338.499 3.133 20 0 EGADMP Cc1cc(Br)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000414764011 309099436 /nfs/dbraw/zinc/09/94/36/309099436.db2.gz NRMJVTLAHUXWSL-UHFFFAOYSA-N 2 1 329.307 3.395 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414765838 309099478 /nfs/dbraw/zinc/09/94/78/309099478.db2.gz GMCPDANVXNIXHB-CALCHBBNSA-N 2 1 342.462 3.060 20 0 EGADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C2CCCCC2)n1 ZINC000414777350 309100214 /nfs/dbraw/zinc/10/02/14/309100214.db2.gz ICTKYHNMWOHINL-ZWKOTPCHSA-N 2 1 330.520 3.289 20 0 EGADMP c1nc(-c2ccccn2)sc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414778442 309100386 /nfs/dbraw/zinc/10/03/86/309100386.db2.gz IWDLRABZIVSECH-CABCVRRESA-N 2 1 328.485 3.027 20 0 EGADMP Fc1cccc(Br)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414783649 309100832 /nfs/dbraw/zinc/10/08/32/309100832.db2.gz QHBADPHBHJEGOF-CHWSQXEVSA-N 2 1 341.268 3.410 20 0 EGADMP CCOc1c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)nn1CC(C)C ZINC000414785392 309101067 /nfs/dbraw/zinc/10/10/67/309101067.db2.gz SOVRJDJCPJNBAE-MSOLQXFVSA-N 2 1 348.535 3.068 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1OC(C)C ZINC000414789776 309101529 /nfs/dbraw/zinc/10/15/29/309101529.db2.gz YYSGDDOBGXOBEO-IRXDYDNUSA-N 2 1 332.488 3.304 20 0 EGADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414815517 309103320 /nfs/dbraw/zinc/10/33/20/309103320.db2.gz UMBFVHKZHKEVJD-CVEARBPZSA-N 2 1 325.294 3.487 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000414817976 309103480 /nfs/dbraw/zinc/10/34/80/309103480.db2.gz ULHJZLMNLBXBLU-DZGCQCFKSA-N 2 1 325.884 3.473 20 0 EGADMP C[NH2+]CCC[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000414857737 309106031 /nfs/dbraw/zinc/10/60/31/309106031.db2.gz FQIGXYUOJRLLQX-UHFFFAOYSA-N 2 1 325.172 3.167 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414959071 309111544 /nfs/dbraw/zinc/11/15/44/309111544.db2.gz WZTQDXHLEKEJQU-DYVFJYSZSA-N 2 1 346.906 3.432 20 0 EGADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000414978554 309112540 /nfs/dbraw/zinc/11/25/40/309112540.db2.gz RXQKYIHHWQDVBD-CKEIUWERSA-N 2 1 342.314 3.123 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000415006685 309114004 /nfs/dbraw/zinc/11/40/04/309114004.db2.gz KVSSKYKHRMJRTO-MBPVOVBZSA-N 3 1 327.516 3.017 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000415006685 309114005 /nfs/dbraw/zinc/11/40/05/309114005.db2.gz KVSSKYKHRMJRTO-MBPVOVBZSA-N 3 1 327.516 3.017 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415100358 309120263 /nfs/dbraw/zinc/12/02/63/309120263.db2.gz ACWRCSCWYKCYKN-JXFKEZNVSA-N 2 1 340.515 3.273 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)CCCO1 ZINC000415100974 309120422 /nfs/dbraw/zinc/12/04/22/309120422.db2.gz BERWLSDJKKLMHN-IBGZPJMESA-N 2 1 330.403 3.168 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)CCCO1 ZINC000415100974 309120423 /nfs/dbraw/zinc/12/04/23/309120423.db2.gz BERWLSDJKKLMHN-IBGZPJMESA-N 2 1 330.403 3.168 20 0 EGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000415109034 309120909 /nfs/dbraw/zinc/12/09/09/309120909.db2.gz NFHHRSNQVLDGIX-NVXWUHKLSA-N 2 1 326.843 3.197 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000415129285 309122526 /nfs/dbraw/zinc/12/25/26/309122526.db2.gz PDVWGSMWFQTIRO-DGCLKSJQSA-N 2 1 334.357 3.184 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000415129285 309122527 /nfs/dbraw/zinc/12/25/27/309122527.db2.gz PDVWGSMWFQTIRO-DGCLKSJQSA-N 2 1 334.357 3.184 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000415911989 309147917 /nfs/dbraw/zinc/14/79/17/309147917.db2.gz FQIXEEYVEDVSBV-QGZVFWFLSA-N 2 1 332.492 3.038 20 0 EGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000416962545 309188151 /nfs/dbraw/zinc/18/81/51/309188151.db2.gz AQMNTAGAEMOQPO-LJQANCHMSA-N 2 1 348.535 3.042 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417321391 309201558 /nfs/dbraw/zinc/20/15/58/309201558.db2.gz LMWUDSZEIHONLX-OKZBNKHCSA-N 2 1 335.561 3.247 20 0 EGADMP CCCNC(=O)CCC[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000419134979 309260769 /nfs/dbraw/zinc/26/07/69/309260769.db2.gz JZNRIDZXCCFKPZ-SFHVURJKSA-N 2 1 345.531 3.457 20 0 EGADMP CCN(C(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1)C1CCCCC1 ZINC000419299044 309263550 /nfs/dbraw/zinc/26/35/50/309263550.db2.gz XUOONWGQOANPRX-MRXNPFEDSA-N 2 1 335.536 3.163 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc2ccccc2OC)cc1 ZINC000420299845 309280191 /nfs/dbraw/zinc/28/01/91/309280191.db2.gz JOEONXUVJCULCU-QFBILLFUSA-N 2 1 342.483 3.309 20 0 EGADMP Cc1ccccc1[C@H]1C[C@H](C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420303036 309280576 /nfs/dbraw/zinc/28/05/76/309280576.db2.gz MYMXVYTWXXGSGP-UDDWMFPDSA-N 2 1 338.495 3.104 20 0 EGADMP CCC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000420313601 309281362 /nfs/dbraw/zinc/28/13/62/309281362.db2.gz YDIFFWBJKFQRGG-MTFMMBMASA-N 2 1 346.515 3.263 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420311149 309281378 /nfs/dbraw/zinc/28/13/78/309281378.db2.gz NHTSXIIYEQUICI-CYBMUJFWSA-N 2 1 332.469 3.249 20 0 EGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000420319943 309281686 /nfs/dbraw/zinc/28/16/86/309281686.db2.gz PQMIQLHXZSIOJT-GOPGUHFVSA-N 2 1 343.298 3.273 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000420319572 309281735 /nfs/dbraw/zinc/28/17/35/309281735.db2.gz PHGDXNWVWYVXCM-JKSUJKDBSA-N 2 1 331.485 3.074 20 0 EGADMP CCOc1ccc(C[N@@H+](C)C[C@@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC000420319391 309281924 /nfs/dbraw/zinc/28/19/24/309281924.db2.gz PLJFWQHVDNSCQR-GOSISDBHSA-N 2 1 328.456 3.268 20 0 EGADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC1CCN(c2ccccn2)CC1 ZINC000420321663 309282221 /nfs/dbraw/zinc/28/22/21/309282221.db2.gz RKSHIXNIZQRRDZ-GOSISDBHSA-N 2 1 330.520 3.010 20 0 EGADMP CCOc1ccccc1C[N@@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420325657 309282361 /nfs/dbraw/zinc/28/23/61/309282361.db2.gz WMONPHXIVHUDDE-SFHVURJKSA-N 2 1 328.456 3.268 20 0 EGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328491 309282613 /nfs/dbraw/zinc/28/26/13/309282613.db2.gz MQFJDJKHUNVENM-JSGCOSHPSA-N 2 1 326.843 3.227 20 0 EGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328491 309282614 /nfs/dbraw/zinc/28/26/14/309282614.db2.gz MQFJDJKHUNVENM-JSGCOSHPSA-N 2 1 326.843 3.227 20 0 EGADMP Cc1sc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(C)c1C ZINC000420330785 309282646 /nfs/dbraw/zinc/28/26/46/309282646.db2.gz BUFCUQHYTBJYBV-INIZCTEOSA-N 2 1 335.517 3.076 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000420338032 309282931 /nfs/dbraw/zinc/28/29/31/309282931.db2.gz NOCJKDIYVLAFLZ-HRCADAONSA-N 2 1 349.906 3.215 20 0 EGADMP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420337802 309283011 /nfs/dbraw/zinc/28/30/11/309283011.db2.gz KDIJHTNACDBNSR-HOCLYGCPSA-N 2 1 347.528 3.200 20 0 EGADMP FC(F)(F)c1cccc(OCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420337356 309283103 /nfs/dbraw/zinc/28/31/03/309283103.db2.gz NCLPZLKFIRKUNX-GASCZTMLSA-N 2 1 342.405 3.406 20 0 EGADMP COC(=O)c1cc2cc(C[NH2+][C@@H](C[NH3+])C3CCCCC3)ccc2o1 ZINC000420363819 309284261 /nfs/dbraw/zinc/28/42/61/309284261.db2.gz JWCFYDOOMJQRBU-INIZCTEOSA-N 2 1 330.428 3.217 20 0 EGADMP COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@H+]2CCOCC[NH3+])c1 ZINC000420370575 309284727 /nfs/dbraw/zinc/28/47/27/309284727.db2.gz JPRVBXILSXYPTE-RTWAWAEBSA-N 2 1 340.467 3.201 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCC4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000420374171 309285126 /nfs/dbraw/zinc/28/51/26/309285126.db2.gz NONRJNIAKYWLIN-YADHBBJMSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCC4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000420374171 309285127 /nfs/dbraw/zinc/28/51/27/309285127.db2.gz NONRJNIAKYWLIN-YADHBBJMSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCC4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000420374171 309285128 /nfs/dbraw/zinc/28/51/28/309285128.db2.gz NONRJNIAKYWLIN-YADHBBJMSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3CN(CCC4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000420374171 309285129 /nfs/dbraw/zinc/28/51/29/309285129.db2.gz NONRJNIAKYWLIN-YADHBBJMSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(CCC4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000420374171 309285130 /nfs/dbraw/zinc/28/51/30/309285130.db2.gz NONRJNIAKYWLIN-YADHBBJMSA-N 2 1 341.543 3.363 20 0 EGADMP FC(F)(F)c1ccc([C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000420377962 309285359 /nfs/dbraw/zinc/28/53/59/309285359.db2.gz TUXKUQGRCPLEOV-KRWDZBQOSA-N 2 1 342.405 3.468 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420387283 309285692 /nfs/dbraw/zinc/28/56/92/309285692.db2.gz VSIRPTFOXGRHKL-HNAYVOBHSA-N 2 1 327.476 3.258 20 0 EGADMP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420393712 309286191 /nfs/dbraw/zinc/28/61/91/309286191.db2.gz QTJBJPJCSUZFRS-KBMXLJTQSA-N 2 1 335.492 3.251 20 0 EGADMP COc1ccccc1[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)[NH+]1CCCCC1 ZINC000422714103 309364361 /nfs/dbraw/zinc/36/43/61/309364361.db2.gz QSRGBIMQSMWMAT-RLLQIKCJSA-N 2 1 345.531 3.200 20 0 EGADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000422737717 309365995 /nfs/dbraw/zinc/36/59/95/309365995.db2.gz XTJVNWVZDYPHSL-VNTMZGSJSA-N 2 1 333.495 3.329 20 0 EGADMP COc1ccc([C@H](CN[C@@H]2CC[NH2+]CC[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000422760902 309366952 /nfs/dbraw/zinc/36/69/52/309366952.db2.gz MHBHMYMXCNEZRQ-UIFIKXQLSA-N 2 1 345.531 3.200 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])ccc1OCc1ccccc1 ZINC000422772773 309367565 /nfs/dbraw/zinc/36/75/65/309367565.db2.gz SWBKNXYHKNLFNF-QZTJIDSGSA-N 2 1 326.440 3.244 20 0 EGADMP c1cc(C[NH+]2CCCCCC2)ccc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422788983 309368267 /nfs/dbraw/zinc/36/82/67/309368267.db2.gz WIWVMMJJQNZBHF-WCRBZPEASA-N 2 1 327.516 3.435 20 0 EGADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422794468 309368614 /nfs/dbraw/zinc/36/86/14/309368614.db2.gz GSVYHODUIWJWJC-JXFKEZNVSA-N 2 1 339.483 3.329 20 0 EGADMP CCN(CC)[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)c1cccc(OC)c1 ZINC000422798481 309369043 /nfs/dbraw/zinc/36/90/43/309369043.db2.gz RIISONFTAAIJRB-LSTHTHJFSA-N 2 1 333.520 3.056 20 0 EGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000422878566 309373366 /nfs/dbraw/zinc/37/33/66/309373366.db2.gz KHFVMAPPCCRYCM-KXBFYZLASA-N 3 1 335.923 3.140 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000422903915 309375423 /nfs/dbraw/zinc/37/54/23/309375423.db2.gz PLIDGNQSHMBQRH-KXBFYZLASA-N 2 1 338.430 3.060 20 0 EGADMP Cc1ccccc1CN1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422905494 309375526 /nfs/dbraw/zinc/37/55/26/309375526.db2.gz ZDVDVOKBOMFOSV-FDFHNCONSA-N 2 1 341.543 3.470 20 0 EGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422931401 309376703 /nfs/dbraw/zinc/37/67/03/309376703.db2.gz XPOWIQPHEHQJSF-RTBURBONSA-N 2 1 329.488 3.062 20 0 EGADMP c1cc(-c2ccccc2)oc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422973171 309379165 /nfs/dbraw/zinc/37/91/65/309379165.db2.gz NUCYJGVQKDMDOH-CEXWTWQISA-N 2 1 326.440 3.193 20 0 EGADMP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c2c(c1)OCCCO2 ZINC000422989595 309379600 /nfs/dbraw/zinc/37/96/00/309379600.db2.gz LYPOYJKVEFLJEL-FGTMMUONSA-N 2 1 330.472 3.248 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000423002244 309380264 /nfs/dbraw/zinc/38/02/64/309380264.db2.gz JEYKRPNFUYSFQG-QCFAMHMHSA-N 3 1 329.532 3.265 20 0 EGADMP CC[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423024884 309381615 /nfs/dbraw/zinc/38/16/15/309381615.db2.gz NAJXTBQSRLBNIU-ZLIFDBKOSA-N 2 1 325.859 3.178 20 0 EGADMP Fc1ccc(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1F ZINC000423054757 309383287 /nfs/dbraw/zinc/38/32/87/309383287.db2.gz UYNDSCTYYSHMIU-KFKAGJAMSA-N 2 1 338.442 3.034 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C12CCOCC2 ZINC000423054571 309383296 /nfs/dbraw/zinc/38/32/96/309383296.db2.gz UZIXEIPDRUNLQD-FUMNGEBKSA-N 2 1 344.499 3.044 20 0 EGADMP Clc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)c1 ZINC000423101561 309385967 /nfs/dbraw/zinc/38/59/67/309385967.db2.gz WACCCCRLDZUHLS-GPFWEFOESA-N 2 1 334.891 3.333 20 0 EGADMP Clc1ccc(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)s1 ZINC000423110178 309386547 /nfs/dbraw/zinc/38/65/47/309386547.db2.gz USGHXBUCUSSQRG-XHSDSOJGSA-N 2 1 342.936 3.471 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@H]2CCCC[C@@H]2C[NH3+])[NH+](C)C)cc1 ZINC000423125134 309387335 /nfs/dbraw/zinc/38/73/35/309387335.db2.gz NASZPMDNFQSFEG-HOJAQTOUSA-N 2 1 333.520 3.184 20 0 EGADMP CC[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1Cl)[C@H]1CCCC[NH2+]1 ZINC000423131708 309387647 /nfs/dbraw/zinc/38/76/47/309387647.db2.gz ICRJHJNTYXHFNW-HUUCEWRRSA-N 2 1 340.895 3.410 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H](NC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423193566 309389915 /nfs/dbraw/zinc/38/99/15/309389915.db2.gz WYZUOYZXAIXPEW-CEWLAPEOSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423193566 309389916 /nfs/dbraw/zinc/38/99/16/309389916.db2.gz WYZUOYZXAIXPEW-CEWLAPEOSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423193566 309389917 /nfs/dbraw/zinc/38/99/17/309389917.db2.gz WYZUOYZXAIXPEW-CEWLAPEOSA-N 3 1 327.516 3.019 20 0 EGADMP CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+][C@@H]2CC[NH2+]C2)nc1 ZINC000423215712 309390894 /nfs/dbraw/zinc/39/08/94/309390894.db2.gz OIGUIBWFWXJABD-WOJBJXKFSA-N 2 1 343.902 3.403 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000423256411 309392468 /nfs/dbraw/zinc/39/24/68/309392468.db2.gz BWURDCZJGAEOMF-PELRDEGISA-N 3 1 329.532 3.409 20 0 EGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423266714 309393151 /nfs/dbraw/zinc/39/31/51/309393151.db2.gz CBBFFSWQRAZWFY-QANKJYHBSA-N 2 1 336.451 3.162 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])nnn1-c1cccc(Cl)c1 ZINC000423267359 309393157 /nfs/dbraw/zinc/39/31/57/309393157.db2.gz FKOAQQIKNBDFPK-DXCKQFNASA-N 2 1 347.894 3.397 20 0 EGADMP CCCC[C@H](C[NH3+])N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423300612 309394522 /nfs/dbraw/zinc/39/45/22/309394522.db2.gz SAUXCFGSCDGXDK-XRXFAXGQSA-N 2 1 329.532 3.394 20 0 EGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCc3ccccc3C2)cc1 ZINC000423327268 309395339 /nfs/dbraw/zinc/39/53/39/309395339.db2.gz JYOTUIRXDSTBFP-HJNYFJLDSA-N 2 1 336.479 3.288 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000423336397 309395671 /nfs/dbraw/zinc/39/56/71/309395671.db2.gz SNKGMOMAELLCPZ-MRXNPFEDSA-N 2 1 331.504 3.290 20 0 EGADMP CC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]CC1 ZINC000423336506 309395921 /nfs/dbraw/zinc/39/59/21/309395921.db2.gz SWRGTIWPMPCEPJ-QHAWAJNXSA-N 3 1 341.543 3.266 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCCC[C@H]3[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423351065 309396688 /nfs/dbraw/zinc/39/66/88/309396688.db2.gz HKAHRHBTSIJWEK-BHIFYINESA-N 3 1 339.527 3.187 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000423357574 309396837 /nfs/dbraw/zinc/39/68/37/309396837.db2.gz MHXUCLXAXYYGJD-YZGWKJHDSA-N 2 1 349.563 3.397 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3c(Br)cccc32)CC[NH2+]1 ZINC000423366333 309397149 /nfs/dbraw/zinc/39/71/49/309397149.db2.gz CLJLPDWAYFAYNC-JMSVASOKSA-N 2 1 339.277 3.393 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(Br)c1 ZINC000423369618 309397397 /nfs/dbraw/zinc/39/73/97/309397397.db2.gz FFPCALGUYOXEMP-SRVKXCTJSA-N 2 1 327.266 3.378 20 0 EGADMP CC(C)(C(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423373228 309397504 /nfs/dbraw/zinc/39/75/04/309397504.db2.gz RSZORMFPSGMUKL-LJQANCHMSA-N 2 1 343.515 3.190 20 0 EGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423388209 309398113 /nfs/dbraw/zinc/39/81/13/309398113.db2.gz IHRLGRQNPMFGRB-MBMVPVEPSA-N 3 1 341.543 3.265 20 0 EGADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423388209 309398114 /nfs/dbraw/zinc/39/81/14/309398114.db2.gz IHRLGRQNPMFGRB-MBMVPVEPSA-N 2 1 341.543 3.265 20 0 EGADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423388209 309398115 /nfs/dbraw/zinc/39/81/15/309398115.db2.gz IHRLGRQNPMFGRB-MBMVPVEPSA-N 2 1 341.543 3.265 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423416703 309399435 /nfs/dbraw/zinc/39/94/35/309399435.db2.gz DETODHZSQHOLAH-VNYTWHDVSA-N 3 1 329.532 3.252 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423416703 309399436 /nfs/dbraw/zinc/39/94/36/309399436.db2.gz DETODHZSQHOLAH-VNYTWHDVSA-N 2 1 329.532 3.252 20 0 EGADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423443186 309400607 /nfs/dbraw/zinc/40/06/07/309400607.db2.gz VMVULGUTEBPEGL-YGHPHNMRSA-N 2 1 326.415 3.273 20 0 EGADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Br)cc1C(F)(F)F ZINC000423440021 309400678 /nfs/dbraw/zinc/40/06/78/309400678.db2.gz SUBMAHUYXQLLSS-UVRHIYEWSA-N 2 1 349.194 3.336 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)Cc2coc3ccccc23)CC1 ZINC000449079231 310035299 /nfs/dbraw/zinc/03/52/99/310035299.db2.gz NWWDSGMXOUSLJR-SFHVURJKSA-N 2 1 343.515 3.371 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CSC[C@H]3C)CC2)cs1 ZINC000449150473 310040681 /nfs/dbraw/zinc/04/06/81/310040681.db2.gz RHFPPGGUSBIOIY-CZUORRHYSA-N 2 1 339.574 3.259 20 0 EGADMP C[C@@H](Cc1coc2ccccc12)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000449287908 310050629 /nfs/dbraw/zinc/05/06/29/310050629.db2.gz XOVJVAUZIDRKIV-DLBZAZTESA-N 2 1 330.472 3.454 20 0 EGADMP C[C@@H](Cc1coc2ccccc12)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000449287908 310050630 /nfs/dbraw/zinc/05/06/30/310050630.db2.gz XOVJVAUZIDRKIV-DLBZAZTESA-N 2 1 330.472 3.454 20 0 EGADMP CC(C)(CO)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000449409461 310059545 /nfs/dbraw/zinc/05/95/45/310059545.db2.gz UASMZDJDADBOCU-SLFFLAALSA-N 2 1 330.516 3.285 20 0 EGADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449582154 310073620 /nfs/dbraw/zinc/07/36/20/310073620.db2.gz DVVFCRSLNMLJPM-NBYUQASBSA-N 2 1 344.499 3.361 20 0 EGADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449582154 310073621 /nfs/dbraw/zinc/07/36/21/310073621.db2.gz DVVFCRSLNMLJPM-NBYUQASBSA-N 2 1 344.499 3.361 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000450243464 310110634 /nfs/dbraw/zinc/11/06/34/310110634.db2.gz NLCWDBOOALPMMQ-OAQYLSRUSA-N 2 1 329.532 3.457 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000450243464 310110635 /nfs/dbraw/zinc/11/06/35/310110635.db2.gz NLCWDBOOALPMMQ-OAQYLSRUSA-N 2 1 329.532 3.457 20 0 EGADMP CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)c1csnn1 ZINC000450457221 310123699 /nfs/dbraw/zinc/12/36/99/310123699.db2.gz RBUAGHWMCZDHBS-AWEZNQCLSA-N 2 1 331.489 3.233 20 0 EGADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)c1csnn1 ZINC000450457221 310123700 /nfs/dbraw/zinc/12/37/00/310123700.db2.gz RBUAGHWMCZDHBS-AWEZNQCLSA-N 2 1 331.489 3.233 20 0 EGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC3CC(F)(F)C3)CC2)CC1 ZINC000450476038 310124901 /nfs/dbraw/zinc/12/49/01/310124901.db2.gz MNZPNTPCLSNNHZ-UHFFFAOYSA-N 2 1 343.506 3.160 20 0 EGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1CC(F)(F)C1 ZINC000450476038 310124902 /nfs/dbraw/zinc/12/49/02/310124902.db2.gz MNZPNTPCLSNNHZ-UHFFFAOYSA-N 3 1 343.506 3.160 20 0 EGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1CC(F)(F)C1 ZINC000450476038 310124903 /nfs/dbraw/zinc/12/49/03/310124903.db2.gz MNZPNTPCLSNNHZ-UHFFFAOYSA-N 3 1 343.506 3.160 20 0 EGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CC3=CCCCC3)CC2)C[C@@H](C)O1 ZINC000450651922 310135222 /nfs/dbraw/zinc/13/52/22/310135222.db2.gz QAGNXNNBCPPXPB-QZTJIDSGSA-N 2 1 336.520 3.077 20 0 EGADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453105796 310258163 /nfs/dbraw/zinc/25/81/63/310258163.db2.gz CMDZYHBPECLKGS-MVBLQPKNSA-N 2 1 348.556 3.132 20 0 EGADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453117430 310259001 /nfs/dbraw/zinc/25/90/01/310259001.db2.gz KQPHDBMCFTZQBC-DOIPELPJSA-N 2 1 330.516 3.426 20 0 EGADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000453126347 310259764 /nfs/dbraw/zinc/25/97/64/310259764.db2.gz OWISTTUVUSEFSO-OALUTQOASA-N 2 1 330.497 3.426 20 0 EGADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000453126347 310259765 /nfs/dbraw/zinc/25/97/65/310259765.db2.gz OWISTTUVUSEFSO-OALUTQOASA-N 2 1 330.497 3.426 20 0 EGADMP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C1CC1 ZINC000453132143 310260011 /nfs/dbraw/zinc/26/00/11/310260011.db2.gz XNUCPRXCFOLMPP-BQJUDKOJSA-N 2 1 328.500 3.180 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCOC1 ZINC000453134343 310260071 /nfs/dbraw/zinc/26/00/71/310260071.db2.gz ZMYCFXAYRNAUAY-DOIPELPJSA-N 2 1 328.500 3.446 20 0 EGADMP CO[C@@H]1COCC[C@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453334957 310271707 /nfs/dbraw/zinc/27/17/07/310271707.db2.gz XPQZPXUWBYOPQK-GKYDQMIMSA-N 2 1 346.515 3.071 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1cccc(OCC[NH+](C)C)c1 ZINC000453375698 310273563 /nfs/dbraw/zinc/27/35/63/310273563.db2.gz YEHSBHKCBDIOJK-RVKKMQEKSA-N 2 1 328.460 3.180 20 0 EGADMP C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C1=CC[N@@H+](C)CC1 ZINC000455856644 310379746 /nfs/dbraw/zinc/37/97/46/310379746.db2.gz NXSQOSVUDYSNJI-LIRRHRJNSA-N 2 1 342.487 3.007 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455872780 310380525 /nfs/dbraw/zinc/38/05/25/310380525.db2.gz ZDLYBKMQGUOOKU-KDOFPFPSSA-N 2 1 332.492 3.086 20 0 EGADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455912348 310382036 /nfs/dbraw/zinc/38/20/36/310382036.db2.gz JEWIJWGOOBZKMB-RTBURBONSA-N 2 1 344.503 3.039 20 0 EGADMP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C12CCC2 ZINC000459773823 310574503 /nfs/dbraw/zinc/57/45/03/310574503.db2.gz IWUMCXMUHZQNNJ-WOJBJXKFSA-N 2 1 346.490 3.380 20 0 EGADMP C[C@H](NCCC[NH+]1CCC(C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480161950 310890462 /nfs/dbraw/zinc/89/04/62/310890462.db2.gz KLSWWWUFWRYAIL-IBGZPJMESA-N 2 1 347.547 3.400 20 0 EGADMP Cc1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nn1C ZINC000487410760 311022556 /nfs/dbraw/zinc/02/25/56/311022556.db2.gz GZRZPEUAKZXAEC-UHFFFAOYSA-N 2 1 326.488 3.073 20 0 EGADMP CC1CC[NH+](CCN2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000489886361 311123792 /nfs/dbraw/zinc/12/37/92/311123792.db2.gz MILUIJUACAVZBJ-FQEVSTJZSA-N 2 1 329.532 3.315 20 0 EGADMP CC[C@@H](C[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C)[NH+]1CCCC1 ZINC000502256809 311961988 /nfs/dbraw/zinc/96/19/88/311961988.db2.gz ZSQXVQNYTZMBPI-WMZOPIPTSA-N 2 1 334.504 3.407 20 0 EGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000504424793 312006264 /nfs/dbraw/zinc/00/62/64/312006264.db2.gz SWOWQGKDAHLYEE-GHTZIAJQSA-N 2 1 343.559 3.142 20 0 EGADMP COCC[N@H+](C)CC[C@@H](Nc1cc(C)[nH+]c(C)n1)c1ccccc1 ZINC000505565870 312026346 /nfs/dbraw/zinc/02/63/46/312026346.db2.gz YGTVJQOOUPFJSG-GOSISDBHSA-N 2 1 328.460 3.215 20 0 EGADMP COCC[N@@H+](C)CC[C@@H](Nc1cc(C)[nH+]c(C)n1)c1ccccc1 ZINC000505565870 312026348 /nfs/dbraw/zinc/02/63/48/312026348.db2.gz YGTVJQOOUPFJSG-GOSISDBHSA-N 2 1 328.460 3.215 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCn3cccc3[C@@H]2C)CC1 ZINC000505707714 312030992 /nfs/dbraw/zinc/03/09/92/312030992.db2.gz SVIYWJDUVLQUGU-SFHVURJKSA-N 2 1 338.499 3.207 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCn3cccc3[C@@H]2C)CC1 ZINC000505707714 312030994 /nfs/dbraw/zinc/03/09/94/312030994.db2.gz SVIYWJDUVLQUGU-SFHVURJKSA-N 2 1 338.499 3.207 20 0 EGADMP C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506474292 312049846 /nfs/dbraw/zinc/04/98/46/312049846.db2.gz MFNWMHHLHGEZOF-WTGUMLROSA-N 2 1 349.563 3.268 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ncccc2CC)[C@@H](C)C1 ZINC000507509493 312075413 /nfs/dbraw/zinc/07/54/13/312075413.db2.gz LCIKRYURSZJZJB-LNLFQRSKSA-N 2 1 333.520 3.432 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ncccc2CC)[C@@H](C)C1 ZINC000507509493 312075414 /nfs/dbraw/zinc/07/54/14/312075414.db2.gz LCIKRYURSZJZJB-LNLFQRSKSA-N 2 1 333.520 3.432 20 0 EGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507521207 312075916 /nfs/dbraw/zinc/07/59/16/312075916.db2.gz WHHKEZIOXYTMDB-FDKIHUSFSA-N 2 1 328.500 3.302 20 0 EGADMP CCCCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)CCC ZINC000512059113 312174722 /nfs/dbraw/zinc/17/47/22/312174722.db2.gz QKVRCKXTBDBTJJ-SFHVURJKSA-N 2 1 347.551 3.409 20 0 EGADMP CCCCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)CCC ZINC000512059113 312174723 /nfs/dbraw/zinc/17/47/23/312174723.db2.gz QKVRCKXTBDBTJJ-SFHVURJKSA-N 2 1 347.551 3.409 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CCC4CCCC4)CC3)C2)cc1 ZINC000512475559 312187140 /nfs/dbraw/zinc/18/71/40/312187140.db2.gz UCDYZIRHJAHNIT-JOCHJYFZSA-N 2 1 341.543 3.459 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCC[NH+]4CCCCC4)[C@@H]3C2)cc1 ZINC000512655419 312191692 /nfs/dbraw/zinc/19/16/92/312191692.db2.gz UJQAFTLMUQGPNS-BDTNDASRSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCC[NH+]4CCCCC4)[C@@H]3C2)cc1 ZINC000512655419 312191693 /nfs/dbraw/zinc/19/16/93/312191693.db2.gz UJQAFTLMUQGPNS-BDTNDASRSA-N 2 1 341.543 3.363 20 0 EGADMP CCN1C[C@H](C)[C@H]([NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000513514077 312211955 /nfs/dbraw/zinc/21/19/55/312211955.db2.gz VXSZILKGGHJJGJ-JYAXBFRTSA-N 2 1 329.532 3.217 20 0 EGADMP Cc1ccccc1C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CC1 ZINC000514875463 312251768 /nfs/dbraw/zinc/25/17/68/312251768.db2.gz QTUFMPIAYHXUKC-RXVVDRJESA-N 2 1 330.516 3.407 20 0 EGADMP Cc1ccccc1C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CC1 ZINC000514875463 312251769 /nfs/dbraw/zinc/25/17/69/312251769.db2.gz QTUFMPIAYHXUKC-RXVVDRJESA-N 2 1 330.516 3.407 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)CC1 ZINC000515008512 312260193 /nfs/dbraw/zinc/26/01/93/312260193.db2.gz FOMVPEGQPHHEJK-CALCHBBNSA-N 2 1 349.485 3.455 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc4c(c3)CCCC4)C2)CC1 ZINC000516269757 312318365 /nfs/dbraw/zinc/31/83/65/312318365.db2.gz OOQQPMWFYJPUTE-JOCHJYFZSA-N 2 1 341.543 3.166 20 0 EGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000518349111 312412984 /nfs/dbraw/zinc/41/29/84/312412984.db2.gz TVZXXSSSILUNGD-CRAIPNDOSA-N 2 1 347.484 3.121 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000530460524 313540138 /nfs/dbraw/zinc/54/01/38/313540138.db2.gz ZREIARKEZMNXJJ-AWEZNQCLSA-N 2 1 338.224 3.141 20 0 EGADMP COc1ccc(Br)cc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169728 454167338 /nfs/dbraw/zinc/16/73/38/454167338.db2.gz UNDLLOMOHCLVDU-GFCCVEGCSA-N 2 1 327.266 3.019 20 0 EGADMP CC[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000536709317 314140641 /nfs/dbraw/zinc/14/06/41/314140641.db2.gz AQIXAZJUJQMGMM-TZIWHRDSSA-N 2 1 329.532 3.281 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccccc2)CC1)CC1CC1 ZINC000536737621 314142809 /nfs/dbraw/zinc/14/28/09/314142809.db2.gz OKTAFSMYXLNHDY-UHFFFAOYSA-N 2 1 343.515 3.459 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2)[C@H](C)C1 ZINC000536874269 314151350 /nfs/dbraw/zinc/15/13/50/314151350.db2.gz CPNOXOPXBPOLSY-HBFSDRIKSA-N 2 1 334.504 3.181 20 0 EGADMP CCCCO[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1(C)C ZINC000539497439 314317410 /nfs/dbraw/zinc/31/74/10/314317410.db2.gz WOYRSDSVEIDIRM-QZTJIDSGSA-N 2 1 338.536 3.205 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000548717434 315038770 /nfs/dbraw/zinc/03/87/70/315038770.db2.gz SJNCBJZWEIDUFD-IBGZPJMESA-N 2 1 335.536 3.118 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(O)CCCC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000552357501 315215751 /nfs/dbraw/zinc/21/57/51/315215751.db2.gz CMYIQECCVVZFDQ-CUWPLCDZSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000554377601 315313967 /nfs/dbraw/zinc/31/39/67/315313967.db2.gz QYAQMWAFNRPZMX-IVAOSVALSA-N 2 1 330.516 3.141 20 0 EGADMP COC1CC[NH+](C2(C[NH2+]CC3Cc4ccccc4C3)CCCC2)CC1 ZINC000555091916 315366023 /nfs/dbraw/zinc/36/60/23/315366023.db2.gz LFWNBRNRABLJTA-UHFFFAOYSA-N 2 1 342.527 3.415 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000563354297 316004341 /nfs/dbraw/zinc/00/43/41/316004341.db2.gz QOFHPYICEPOAPW-PKOBYXMFSA-N 2 1 331.435 3.344 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000563354297 316004343 /nfs/dbraw/zinc/00/43/43/316004343.db2.gz QOFHPYICEPOAPW-PKOBYXMFSA-N 2 1 331.435 3.344 20 0 EGADMP C[C@@H]([NH2+]C(C)(C)CNC[C@H](O)Cc1ccccc1)c1ccccc1 ZINC000563707402 316058889 /nfs/dbraw/zinc/05/88/89/316058889.db2.gz KEXZOAIXCGORGA-YLJYHZDGSA-N 2 1 326.484 3.309 20 0 EGADMP COc1cc2c(cc1C[N@H+](C)CCCn1cc[nH+]c1C)O[C@@H](C)C2 ZINC000563842443 316077192 /nfs/dbraw/zinc/07/71/92/316077192.db2.gz NWFKFAGADVIJPB-AWEZNQCLSA-N 2 1 329.444 3.046 20 0 EGADMP COc1cc2c(cc1C[N@@H+](C)CCCn1cc[nH+]c1C)O[C@@H](C)C2 ZINC000563842443 316077195 /nfs/dbraw/zinc/07/71/95/316077195.db2.gz NWFKFAGADVIJPB-AWEZNQCLSA-N 2 1 329.444 3.046 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000564822850 316212625 /nfs/dbraw/zinc/21/26/25/316212625.db2.gz RRZSCRJDDCPPHN-FDFHNCONSA-N 3 1 341.543 3.266 20 0 EGADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)Cc1ccccc1 ZINC000565357855 316313619 /nfs/dbraw/zinc/31/36/19/316313619.db2.gz ASDCUSYGTTYFNX-OALUTQOASA-N 2 1 344.524 3.153 20 0 EGADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Cc1ccccc1 ZINC000565357855 316313623 /nfs/dbraw/zinc/31/36/23/316313623.db2.gz ASDCUSYGTTYFNX-OALUTQOASA-N 2 1 344.524 3.153 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@]3(C)CCCC[C@H]3C)CC2)CC1 ZINC000565727128 316362735 /nfs/dbraw/zinc/36/27/35/316362735.db2.gz YLHDTBUEIXUPEF-DYESRHJHSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cncc(Br)c1 ZINC000566499654 316487478 /nfs/dbraw/zinc/48/74/78/316487478.db2.gz BIUDGZAXBIXUJK-NILFDRSVSA-N 2 1 326.282 3.368 20 0 EGADMP OCC1([NH2+]CC2CC2)CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000571214442 317166620 /nfs/dbraw/zinc/16/66/20/317166620.db2.gz KUZSOXGCERORQG-UHFFFAOYSA-N 2 1 336.907 3.099 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000571536876 317213825 /nfs/dbraw/zinc/21/38/25/317213825.db2.gz ULXBLESPVWHFHZ-HXUWFJFHSA-N 2 1 335.451 3.024 20 0 EGADMP CC[C@H]1CC[C@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000571711181 317236049 /nfs/dbraw/zinc/23/60/49/317236049.db2.gz ZPZDYSAUQAPTEW-GHTZIAJQSA-N 2 1 346.515 3.454 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000572009955 317278832 /nfs/dbraw/zinc/27/88/32/317278832.db2.gz FHZLVVZPZSQBCV-BEFAXECRSA-N 2 1 325.456 3.174 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2cn3ccccc3n2)C[C@@H]1c1ccccc1 ZINC000572666670 317372378 /nfs/dbraw/zinc/37/23/78/317372378.db2.gz UNZDNMLLDRBORC-UYAOXDASSA-N 2 1 334.467 3.302 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cn3ccccc3n2)C[C@@H]1c1ccccc1 ZINC000572666670 317372380 /nfs/dbraw/zinc/37/23/80/317372380.db2.gz UNZDNMLLDRBORC-UYAOXDASSA-N 2 1 334.467 3.302 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000270491463 455967427 /nfs/dbraw/zinc/96/74/27/455967427.db2.gz MBNXTLRIFRMMLR-LLVKDONJSA-N 2 1 346.302 3.337 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386593969 324268783 /nfs/dbraw/zinc/26/87/83/324268783.db2.gz SFVHTYIZZVLJJP-NXOAAHMSSA-N 2 1 339.524 3.237 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386593969 324268787 /nfs/dbraw/zinc/26/87/87/324268787.db2.gz SFVHTYIZZVLJJP-NXOAAHMSSA-N 2 1 339.524 3.237 20 0 EGADMP CC[C@@H](C(=O)N1CCC([NH2+]CC[NH2+]C(C)(C)C)CC1)c1ccccc1 ZINC000415112408 324299365 /nfs/dbraw/zinc/29/93/65/324299365.db2.gz RWTQLAHBZTVQSY-LJQANCHMSA-N 2 1 345.531 3.149 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H]2CCCc3ccc(SC)cc32)CC1 ZINC000578193470 324933403 /nfs/dbraw/zinc/93/34/03/324933403.db2.gz ZAQWSLCEXQMNJX-IBGZPJMESA-N 2 1 334.529 3.486 20 0 EGADMP Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1F ZINC000579717573 325150064 /nfs/dbraw/zinc/15/00/64/325150064.db2.gz DHJDPMSXZPBTSN-HUUCEWRRSA-N 2 1 347.409 3.441 20 0 EGADMP Cc1ncncc1[C@H](C)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000580095206 325203503 /nfs/dbraw/zinc/20/35/03/325203503.db2.gz LVINDKNCYOWQNN-HOCLYGCPSA-N 2 1 330.501 3.409 20 0 EGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000580095206 325203511 /nfs/dbraw/zinc/20/35/11/325203511.db2.gz LVINDKNCYOWQNN-HOCLYGCPSA-N 2 1 330.501 3.409 20 0 EGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000580095206 325203513 /nfs/dbraw/zinc/20/35/13/325203513.db2.gz LVINDKNCYOWQNN-HOCLYGCPSA-N 2 1 330.501 3.409 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000580301904 325231056 /nfs/dbraw/zinc/23/10/56/325231056.db2.gz AQGVFALRZHXIGJ-RDJZCZTQSA-N 2 1 347.528 3.344 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000580301904 325231060 /nfs/dbraw/zinc/23/10/60/325231060.db2.gz AQGVFALRZHXIGJ-RDJZCZTQSA-N 2 1 347.528 3.344 20 0 EGADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCCc3occc32)c2cccs2)CC1 ZINC000581409371 325358288 /nfs/dbraw/zinc/35/82/88/325358288.db2.gz YMQHKOWNKIURML-SJORKVTESA-N 2 1 345.512 3.297 20 0 EGADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000581543348 325370408 /nfs/dbraw/zinc/37/04/08/325370408.db2.gz CMENEVHSFUUQEJ-WOJBJXKFSA-N 2 1 348.531 3.001 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000581675495 325382121 /nfs/dbraw/zinc/38/21/21/325382121.db2.gz UYDUHPPGPZRJGL-INIZCTEOSA-N 2 1 335.492 3.329 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000581675495 325382122 /nfs/dbraw/zinc/38/21/22/325382122.db2.gz UYDUHPPGPZRJGL-INIZCTEOSA-N 2 1 335.492 3.329 20 0 EGADMP CCO[C@@H](CC[NH2+]Cc1ncc(C[NH+](C)C)s1)C1CCCC1 ZINC000352757343 457586451 /nfs/dbraw/zinc/58/64/51/457586451.db2.gz UABBFOPDKYLHNG-INIZCTEOSA-N 2 1 325.522 3.280 20 0 EGADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000180704147 455231452 /nfs/dbraw/zinc/23/14/52/455231452.db2.gz QDBPTIXCSRHASP-QGZVFWFLSA-N 2 1 346.515 3.403 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(Br)cs1)CC[NH2+]CC2 ZINC000424298358 458607275 /nfs/dbraw/zinc/60/72/75/458607275.db2.gz UMZWIMAJVZKKSE-LLVKDONJSA-N 2 1 329.307 3.475 20 0 EGADMP C[C@@H]1C[C@H](Nc2cc[nH+]c3ccc(Br)cc23)CC[N@H+]1C ZINC000462875064 458663331 /nfs/dbraw/zinc/66/33/31/458663331.db2.gz GCSYLTABHVPJOX-DGCLKSJQSA-N 2 1 334.261 3.314 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000158025731 455260597 /nfs/dbraw/zinc/26/05/97/455260597.db2.gz NEMGJQOPHGJTDC-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(SC)cc2)CC1 ZINC000173319314 455264635 /nfs/dbraw/zinc/26/46/35/455264635.db2.gz YULHVTHSDFIUIK-KRWDZBQOSA-N 2 1 335.561 3.477 20 0 EGADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000158148961 455274846 /nfs/dbraw/zinc/27/48/46/455274846.db2.gz NLEGMLQCBVDCBV-ZBFHGGJFSA-N 2 1 330.451 3.312 20 0 EGADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000158148961 455274851 /nfs/dbraw/zinc/27/48/51/455274851.db2.gz NLEGMLQCBVDCBV-ZBFHGGJFSA-N 2 1 330.451 3.312 20 0 EGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000183306534 455275771 /nfs/dbraw/zinc/27/57/71/455275771.db2.gz QYDRBZKYUNSKFR-AWEZNQCLSA-N 2 1 348.487 3.198 20 0 EGADMP CC[NH+](CC)CCCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000081724984 453905334 /nfs/dbraw/zinc/90/53/34/453905334.db2.gz VYYIDVDQOMFFGR-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP CC[NH+](CC)CCCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000081724984 453905338 /nfs/dbraw/zinc/90/53/38/453905338.db2.gz VYYIDVDQOMFFGR-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP c1cn(-c2ccccc2)c(CNC2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000190784797 455382409 /nfs/dbraw/zinc/38/24/09/455382409.db2.gz GPHSZYSKNURXRI-UHFFFAOYSA-N 2 1 347.466 3.022 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc3ncccc3c2)C[C@H](C)O1 ZINC000067453152 453932019 /nfs/dbraw/zinc/93/20/19/453932019.db2.gz LLTABRMPFKUBAZ-CALCHBBNSA-N 2 1 327.472 3.214 20 0 EGADMP C[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000076115554 453965858 /nfs/dbraw/zinc/96/58/58/453965858.db2.gz UXDGXZHPUYIJEG-YJBOKZPZSA-N 2 1 349.906 3.077 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000076115554 453965859 /nfs/dbraw/zinc/96/58/59/453965859.db2.gz UXDGXZHPUYIJEG-YJBOKZPZSA-N 2 1 349.906 3.077 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C)c1C ZINC000076329317 453989197 /nfs/dbraw/zinc/98/91/97/453989197.db2.gz AJFUDKYOGDQUAZ-SFHVURJKSA-N 2 1 346.519 3.183 20 0 EGADMP CCc1ccccc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000076331837 453990187 /nfs/dbraw/zinc/99/01/87/453990187.db2.gz OEQNDAWBBJFKBL-SFHVURJKSA-N 2 1 346.519 3.129 20 0 EGADMP C[NH+](C)CC1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000042396324 454009412 /nfs/dbraw/zinc/00/94/12/454009412.db2.gz ISQNVIJEEWDGCG-UHFFFAOYSA-N 2 1 329.257 3.362 20 0 EGADMP c1[nH]nc(-c2cccnc2)c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000042899194 454031297 /nfs/dbraw/zinc/03/12/97/454031297.db2.gz ZGKICESDZKKYAS-UHFFFAOYSA-N 2 1 347.466 3.226 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522439 454064738 /nfs/dbraw/zinc/06/47/38/454064738.db2.gz VSVMQKDTBAHHSS-AWEZNQCLSA-N 2 1 337.895 3.331 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000069754423 454141178 /nfs/dbraw/zinc/14/11/78/454141178.db2.gz LHJYLQKAXAKRHK-UHFFFAOYSA-N 2 1 336.439 3.345 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+](C)C2CC2)cc1)C(C)C ZINC000057704215 454142194 /nfs/dbraw/zinc/14/21/94/454142194.db2.gz IXUXLRZLBAIWHZ-INIZCTEOSA-N 2 1 331.504 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1)C(C)C ZINC000057704215 454142196 /nfs/dbraw/zinc/14/21/96/454142196.db2.gz IXUXLRZLBAIWHZ-INIZCTEOSA-N 2 1 331.504 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1)C(C)C ZINC000057704215 454142200 /nfs/dbraw/zinc/14/22/00/454142200.db2.gz IXUXLRZLBAIWHZ-INIZCTEOSA-N 2 1 331.504 3.129 20 0 EGADMP O[C@H](C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl)C[NH+]1CCCC1 ZINC000089697623 454178190 /nfs/dbraw/zinc/17/81/90/454178190.db2.gz COYNTTNBUSUETC-WBMJQRKESA-N 2 1 329.271 3.027 20 0 EGADMP CCN(C(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000130385954 454194709 /nfs/dbraw/zinc/19/47/09/454194709.db2.gz SYFRJUSHGGOQAV-MRXNPFEDSA-N 2 1 334.508 3.083 20 0 EGADMP CCN(C(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000130385954 454194715 /nfs/dbraw/zinc/19/47/15/454194715.db2.gz SYFRJUSHGGOQAV-MRXNPFEDSA-N 2 1 334.508 3.083 20 0 EGADMP c1c(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nc2ccccn12 ZINC000058518202 454212131 /nfs/dbraw/zinc/21/21/31/454212131.db2.gz PKOGJKGEESWDRG-UHFFFAOYSA-N 2 1 326.488 3.422 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc3c2OCCO3)c1 ZINC000071857555 454233744 /nfs/dbraw/zinc/23/37/44/454233744.db2.gz VWWGKNAFEPVPFG-UHFFFAOYSA-N 2 1 326.440 3.199 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cn1 ZINC000095976401 454247353 /nfs/dbraw/zinc/24/73/53/454247353.db2.gz WDIJUXAZFQWXIM-QRQLOZEOSA-N 2 1 338.455 3.013 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]Cc3ccc4nccnc4c3)C2)cc1 ZINC000634959104 460630774 /nfs/dbraw/zinc/63/07/74/460630774.db2.gz ICMOYCSHWDGQDA-FQEVSTJZSA-N 2 1 346.478 3.284 20 0 EGADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000047257458 454347237 /nfs/dbraw/zinc/34/72/37/454347237.db2.gz QIRHATORUHZCGT-VQTJNVASSA-N 2 1 341.499 3.029 20 0 EGADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000047977825 454427009 /nfs/dbraw/zinc/42/70/09/454427009.db2.gz BUVKWLCPQMRCCG-UHFFFAOYSA-N 2 1 334.489 3.352 20 0 EGADMP COc1ccc([C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C(C)C)cc1 ZINC000091333135 454427603 /nfs/dbraw/zinc/42/76/03/454427603.db2.gz QWSQFEFGHBAIFS-OAQYLSRUSA-N 2 1 347.547 3.256 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000073418226 454433948 /nfs/dbraw/zinc/43/39/48/454433948.db2.gz UCJOPLLTBONAFM-GOSISDBHSA-N 2 1 343.515 3.277 20 0 EGADMP Cc1cc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC000091453623 454436867 /nfs/dbraw/zinc/43/68/67/454436867.db2.gz CJVZHZCGIJFUIN-MRXNPFEDSA-N 2 1 325.456 3.233 20 0 EGADMP Cc1cc(-c2noc(C[NH+]3CCC(CC[NH+](C)C)CC3)n2)ccc1F ZINC000121835481 454483165 /nfs/dbraw/zinc/48/31/65/454483165.db2.gz VMNAIXDHMXNABU-UHFFFAOYSA-N 2 1 346.450 3.348 20 0 EGADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073887492 454497860 /nfs/dbraw/zinc/49/78/60/454497860.db2.gz XVKXCXXZICSMMG-IBGZPJMESA-N 2 1 338.455 3.237 20 0 EGADMP Cc1cccc(NCc2c(Cl)cccc2N2CC[NH+](C)CC2)[nH+]1 ZINC000092372447 454557245 /nfs/dbraw/zinc/55/72/45/454557245.db2.gz ASOMGTIARYLUAE-UHFFFAOYSA-N 2 1 330.863 3.407 20 0 EGADMP C[C@@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000122711996 454562382 /nfs/dbraw/zinc/56/23/82/454562382.db2.gz RKAGHLDLIFYSKJ-QVTFKHNJSA-N 2 1 349.563 3.407 20 0 EGADMP COc1c(C)c[nH+]c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000134891899 454603619 /nfs/dbraw/zinc/60/36/19/454603619.db2.gz LLUPODXJSQCLCY-APWZRJJASA-N 2 1 329.488 3.156 20 0 EGADMP COc1c(C)c[nH+]c(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000134891899 454603626 /nfs/dbraw/zinc/60/36/26/454603626.db2.gz LLUPODXJSQCLCY-APWZRJJASA-N 2 1 329.488 3.156 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2sc(CCOC)nc2C)C1 ZINC000092740501 454622110 /nfs/dbraw/zinc/62/21/10/454622110.db2.gz ODGJVGUAARCCDK-ZFWWWQNUSA-N 2 1 325.522 3.023 20 0 EGADMP Cc1noc(C)c1CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821066 454640351 /nfs/dbraw/zinc/64/03/51/454640351.db2.gz AMYVPAPYZYPFAV-UHFFFAOYSA-N 2 1 342.487 3.467 20 0 EGADMP CN(C)C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000635002861 460646391 /nfs/dbraw/zinc/64/63/91/460646391.db2.gz ALXWWWZBKLKDQZ-PMPSAXMXSA-N 2 1 329.410 3.168 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000066178623 454665334 /nfs/dbraw/zinc/66/53/34/454665334.db2.gz ZQUSQFTYQXQGMP-KRWDZBQOSA-N 2 1 348.535 3.056 20 0 EGADMP CC[C@H](C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000066178623 454665336 /nfs/dbraw/zinc/66/53/36/454665336.db2.gz ZQUSQFTYQXQGMP-KRWDZBQOSA-N 2 1 348.535 3.056 20 0 EGADMP CC[C@H](C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000066178623 454665339 /nfs/dbraw/zinc/66/53/39/454665339.db2.gz ZQUSQFTYQXQGMP-KRWDZBQOSA-N 2 1 348.535 3.056 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(C)cc(Cl)cc3C)C2)CC1 ZINC000093132712 454686571 /nfs/dbraw/zinc/68/65/71/454686571.db2.gz FVHHGYXIGCRUGR-GOSISDBHSA-N 2 1 335.923 3.169 20 0 EGADMP C[C@H](CC[NH2+]C1CCC2(CC1)OCCO2)[N@@H+](C)Cc1ccccc1 ZINC000161601652 454706613 /nfs/dbraw/zinc/70/66/13/454706613.db2.gz XZWLDSQAVIHXCN-QGZVFWFLSA-N 2 1 332.488 3.172 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000152654727 454706964 /nfs/dbraw/zinc/70/69/64/454706964.db2.gz SXRAPJNJHKVVDK-AHIWAGSCSA-N 2 1 337.895 3.295 20 0 EGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc2c(c1)CCC2 ZINC000124375364 454725763 /nfs/dbraw/zinc/72/57/63/454725763.db2.gz LBDXIXXWJAVKHB-KRWDZBQOSA-N 2 1 329.532 3.100 20 0 EGADMP CC1(C)[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)[C@H]2CCO[C@@H]21 ZINC000161966225 454741297 /nfs/dbraw/zinc/74/12/97/454741297.db2.gz ACMQWSFATXYRCF-AABGKKOBSA-N 2 1 346.490 3.236 20 0 EGADMP Cc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1C ZINC000620437335 460652948 /nfs/dbraw/zinc/65/29/48/460652948.db2.gz ITWXQSFTIWSARB-IBGZPJMESA-N 2 1 343.540 3.443 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000246291631 455465276 /nfs/dbraw/zinc/46/52/76/455465276.db2.gz NIQUNMAKDQWDRP-FYQPLNBISA-N 2 1 349.563 3.397 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000163583578 454856650 /nfs/dbraw/zinc/85/66/50/454856650.db2.gz NHUAZXLZJRGYOA-BEFAXECRSA-N 2 1 335.923 3.377 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC000163583578 454856654 /nfs/dbraw/zinc/85/66/54/454856654.db2.gz NHUAZXLZJRGYOA-BEFAXECRSA-N 3 1 335.923 3.377 20 0 EGADMP CC[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1CC1 ZINC000163971500 454870909 /nfs/dbraw/zinc/87/09/09/454870909.db2.gz AIJOMONGKDYBGK-NRFANRHFSA-N 2 1 346.515 3.454 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000164653017 454887195 /nfs/dbraw/zinc/88/71/95/454887195.db2.gz ASUDRBHCNGVWFT-MRXNPFEDSA-N 2 1 340.471 3.449 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000126382764 454889949 /nfs/dbraw/zinc/88/99/49/454889949.db2.gz HWYJTWCPRQUWST-LRDDRELGSA-N 2 1 343.284 3.451 20 0 EGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cnn(Cc2ccccc2)c1 ZINC000165324424 454898086 /nfs/dbraw/zinc/89/80/86/454898086.db2.gz HKDULYZXIDISGV-ZWKOTPCHSA-N 2 1 326.488 3.314 20 0 EGADMP COc1cc2[nH]c(CCC[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)cc2c(OC)c1 ZINC000166343921 454910540 /nfs/dbraw/zinc/91/05/40/454910540.db2.gz PTVHKDFWQDEYDZ-KSSFIOAISA-N 2 1 345.487 3.048 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000114475714 454956660 /nfs/dbraw/zinc/95/66/60/454956660.db2.gz QYEVBDUHVHQGBQ-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000155107052 454963824 /nfs/dbraw/zinc/96/38/24/454963824.db2.gz DDCGDVPCOGABPR-JKSUJKDBSA-N 2 1 344.528 3.097 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(-c2ccncc2)c1 ZINC000151349786 454973430 /nfs/dbraw/zinc/97/34/30/454973430.db2.gz JDBHGRSHCUVLBC-DYESRHJHSA-N 2 1 339.483 3.246 20 0 EGADMP Clc1ccc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)cc1Cl ZINC000178971804 454995348 /nfs/dbraw/zinc/99/53/48/454995348.db2.gz KQGXRXDKUFYWJH-INIZCTEOSA-N 2 1 329.271 3.366 20 0 EGADMP Clc1ccc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)cc1Cl ZINC000178971804 454995352 /nfs/dbraw/zinc/99/53/52/454995352.db2.gz KQGXRXDKUFYWJH-INIZCTEOSA-N 2 1 329.271 3.366 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2=Cc3ccccc3OC2)[C@H](C)C1 ZINC000115628786 455023810 /nfs/dbraw/zinc/02/38/10/455023810.db2.gz DGQMQFOQEMDJIG-XLIONFOSSA-N 2 1 344.499 3.189 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000151757147 455026305 /nfs/dbraw/zinc/02/63/05/455026305.db2.gz SFMXGVMPCYJVGB-FXAWDEMLSA-N 2 1 338.499 3.290 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)nc2)CC[N@H+]1Cc1ccccc1 ZINC000151757147 455026309 /nfs/dbraw/zinc/02/63/09/455026309.db2.gz SFMXGVMPCYJVGB-FXAWDEMLSA-N 2 1 338.499 3.290 20 0 EGADMP Cc1nnc([C@@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000179390175 455043985 /nfs/dbraw/zinc/04/39/85/455043985.db2.gz LXIZHSUMVAMQHG-CQSZACIVSA-N 2 1 329.448 3.073 20 0 EGADMP Cc1nnc([C@@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000179390175 455043987 /nfs/dbraw/zinc/04/39/87/455043987.db2.gz LXIZHSUMVAMQHG-CQSZACIVSA-N 2 1 329.448 3.073 20 0 EGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C[C@@H](C)O1 ZINC000171307202 455060096 /nfs/dbraw/zinc/06/00/96/455060096.db2.gz CQCYQMZRXZZCKH-HUUCEWRRSA-N 2 1 338.442 3.286 20 0 EGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000623655817 460662481 /nfs/dbraw/zinc/66/24/81/460662481.db2.gz GDUPZOYVGAYKEQ-HNNXBMFYSA-N 2 1 332.879 3.347 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000623655817 460662490 /nfs/dbraw/zinc/66/24/90/460662490.db2.gz GDUPZOYVGAYKEQ-HNNXBMFYSA-N 2 1 332.879 3.347 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@H+](C3c4ccccc4-c4ccccc43)C2)CC1 ZINC000118834573 455113593 /nfs/dbraw/zinc/11/35/93/455113593.db2.gz XBXVULXQSXPGGW-GOSISDBHSA-N 2 1 347.506 3.468 20 0 EGADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000152456637 455122308 /nfs/dbraw/zinc/12/23/08/455122308.db2.gz BKJOKYJQMRKAMN-CYBMUJFWSA-N 2 1 341.858 3.081 20 0 EGADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000152456637 455122312 /nfs/dbraw/zinc/12/23/12/455122312.db2.gz BKJOKYJQMRKAMN-CYBMUJFWSA-N 2 1 341.858 3.081 20 0 EGADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152456637 455122314 /nfs/dbraw/zinc/12/23/14/455122314.db2.gz BKJOKYJQMRKAMN-CYBMUJFWSA-N 2 1 341.858 3.081 20 0 EGADMP CCOC(=O)CCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156918950 455156891 /nfs/dbraw/zinc/15/68/91/455156891.db2.gz PARHOYLRCNLMEW-IEBWSBKVSA-N 2 1 332.488 3.315 20 0 EGADMP CCOC(=O)CCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156918950 455156893 /nfs/dbraw/zinc/15/68/93/455156893.db2.gz PARHOYLRCNLMEW-IEBWSBKVSA-N 2 1 332.488 3.315 20 0 EGADMP CCOC(=O)CCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156918950 455156895 /nfs/dbraw/zinc/15/68/95/455156895.db2.gz PARHOYLRCNLMEW-IEBWSBKVSA-N 2 1 332.488 3.315 20 0 EGADMP CCOC(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156918950 455156896 /nfs/dbraw/zinc/15/68/96/455156896.db2.gz PARHOYLRCNLMEW-IEBWSBKVSA-N 2 1 332.488 3.315 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCCC1 ZINC000156956935 455158384 /nfs/dbraw/zinc/15/83/84/455158384.db2.gz DEGUYTDEWZHXBX-UZLBHIALSA-N 2 1 343.515 3.052 20 0 EGADMP CCOc1ccc(OCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000172576715 455162559 /nfs/dbraw/zinc/16/25/59/455162559.db2.gz QGGWMDFWVCXZCF-SFHVURJKSA-N 2 1 332.488 3.414 20 0 EGADMP CCOc1ccc(OCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000172576715 455162562 /nfs/dbraw/zinc/16/25/62/455162562.db2.gz QGGWMDFWVCXZCF-SFHVURJKSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(C[NH3+])o3)cc2)C1 ZINC000237479394 455187647 /nfs/dbraw/zinc/18/76/47/455187647.db2.gz FYLHHFQCZYGMDW-CQSZACIVSA-N 2 1 327.428 3.223 20 0 EGADMP C[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000237606113 455198630 /nfs/dbraw/zinc/19/86/30/455198630.db2.gz BNUKIIKWAAQROG-VQIMIIECSA-N 2 1 331.504 3.093 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000237671336 455205507 /nfs/dbraw/zinc/20/55/07/455205507.db2.gz QZOBEGJKHUQUCC-KRWDZBQOSA-N 2 1 343.515 3.196 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@]3(C)CCCC[NH2+]3)cc2)C1 ZINC000237674147 455206273 /nfs/dbraw/zinc/20/62/73/455206273.db2.gz JPUYHWLZOYQFAT-LAUBAEHRSA-N 2 1 343.515 3.067 20 0 EGADMP C[N@@H+](CCCc1nc(-c2ccccc2)no1)CC[C@H]1CCCC[NH+]1C ZINC000173635390 455320135 /nfs/dbraw/zinc/32/01/35/455320135.db2.gz ZWXOKPTUGVUEHQ-GOSISDBHSA-N 2 1 342.487 3.475 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3Cl)CC[C@@H]21 ZINC000158987699 455343978 /nfs/dbraw/zinc/34/39/78/455343978.db2.gz NZUBRMZNLZFECT-PBHICJAKSA-N 2 1 335.879 3.085 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3Cl)CC[C@@H]21 ZINC000158987699 455343983 /nfs/dbraw/zinc/34/39/83/455343983.db2.gz NZUBRMZNLZFECT-PBHICJAKSA-N 2 1 335.879 3.085 20 0 EGADMP C[NH+](C)CCCC1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181527988 455350277 /nfs/dbraw/zinc/35/02/77/455350277.db2.gz AKIZNOBRJMFFOP-UHFFFAOYSA-N 2 1 331.508 3.044 20 0 EGADMP Cc1cc(C)n(CC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000265658807 455357654 /nfs/dbraw/zinc/35/76/54/455357654.db2.gz RLNRKGSSNBWLJC-RXVVDRJESA-N 2 1 340.515 3.485 20 0 EGADMP Cc1cc(C)n(CC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000265658807 455357659 /nfs/dbraw/zinc/35/76/59/455357659.db2.gz RLNRKGSSNBWLJC-RXVVDRJESA-N 2 1 340.515 3.485 20 0 EGADMP Cc1cc(C)n(CC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000265658807 455357664 /nfs/dbraw/zinc/35/76/64/455357664.db2.gz RLNRKGSSNBWLJC-RXVVDRJESA-N 2 1 340.515 3.485 20 0 EGADMP Cc1cc(C)n(CC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000265658807 455357669 /nfs/dbraw/zinc/35/76/69/455357669.db2.gz RLNRKGSSNBWLJC-RXVVDRJESA-N 2 1 340.515 3.485 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C12CCC2 ZINC000181682055 455372159 /nfs/dbraw/zinc/37/21/59/455372159.db2.gz CZNRNAHILJYGBH-PCCBWWKXSA-N 2 1 342.527 3.488 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCCCCC1 ZINC000181687332 455372240 /nfs/dbraw/zinc/37/22/40/455372240.db2.gz FMENDGNLYWUOOC-RCCFBDPRSA-N 2 1 335.536 3.020 20 0 EGADMP COC(=O)c1oc([C@H](C)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000246100824 455426343 /nfs/dbraw/zinc/42/63/43/455426343.db2.gz OQSCZLBNMPCVQG-ZOBUZTSGSA-N 2 1 346.471 3.384 20 0 EGADMP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1C ZINC000246100824 455426346 /nfs/dbraw/zinc/42/63/46/455426346.db2.gz OQSCZLBNMPCVQG-ZOBUZTSGSA-N 2 1 346.471 3.384 20 0 EGADMP O=C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCC1CCCCC1 ZINC000246276579 455462816 /nfs/dbraw/zinc/46/28/16/455462816.db2.gz AQTZNYDECWBXCW-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCC1CCCCC1 ZINC000246276579 455462821 /nfs/dbraw/zinc/46/28/21/455462821.db2.gz AQTZNYDECWBXCW-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCC1CCCCC1 ZINC000246276579 455462827 /nfs/dbraw/zinc/46/28/27/455462827.db2.gz AQTZNYDECWBXCW-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCC1CCCCC1 ZINC000246276579 455462831 /nfs/dbraw/zinc/46/28/31/455462831.db2.gz AQTZNYDECWBXCW-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182259708 455474707 /nfs/dbraw/zinc/47/47/07/455474707.db2.gz YWICFHXMHFEANG-UZLBHIALSA-N 2 1 340.467 3.113 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(F)c1F ZINC000182270030 455477900 /nfs/dbraw/zinc/47/79/00/455477900.db2.gz JKBFUFBUMZIDAX-PBHICJAKSA-N 2 1 346.421 3.382 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000185161690 455514379 /nfs/dbraw/zinc/51/43/79/455514379.db2.gz IZACTANZYGENLP-UHFFFAOYSA-N 2 1 339.361 3.335 20 0 EGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246828784 455528276 /nfs/dbraw/zinc/52/82/76/455528276.db2.gz AIJNZYDZBGPZSH-XJKCOSOUSA-N 2 1 325.294 3.452 20 0 EGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246828784 455528278 /nfs/dbraw/zinc/52/82/78/455528278.db2.gz AIJNZYDZBGPZSH-XJKCOSOUSA-N 2 1 325.294 3.452 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000247110076 455560764 /nfs/dbraw/zinc/56/07/64/455560764.db2.gz SZYAFEFTXKDPKB-SVFBPWRDSA-N 2 1 344.547 3.002 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000247303854 455585968 /nfs/dbraw/zinc/58/59/68/455585968.db2.gz VIBQFZRPCDNRIF-QFBILLFUSA-N 2 1 329.488 3.395 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185688027 455596920 /nfs/dbraw/zinc/59/69/20/455596920.db2.gz UYQSOCBRYBRFAF-SLYNCCJLSA-N 2 1 330.516 3.223 20 0 EGADMP C[C@@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCCCCC1 ZINC000247466349 455605738 /nfs/dbraw/zinc/60/57/38/455605738.db2.gz RKHVQIZFDANHGM-HSALFYBXSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185739605 455611505 /nfs/dbraw/zinc/61/15/05/455611505.db2.gz RBMGACNWGRLQAF-IRXDYDNUSA-N 2 1 329.488 3.176 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185739605 455611508 /nfs/dbraw/zinc/61/15/08/455611508.db2.gz RBMGACNWGRLQAF-IRXDYDNUSA-N 2 1 329.488 3.176 20 0 EGADMP COC(=O)c1cccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185756302 455615263 /nfs/dbraw/zinc/61/52/63/455615263.db2.gz PDWMBCIASWDMFG-QAPCUYQASA-N 2 1 330.472 3.216 20 0 EGADMP COc1ccc(OCC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185758647 455615599 /nfs/dbraw/zinc/61/55/99/455615599.db2.gz ISOZWNCKUMYNII-DLBZAZTESA-N 2 1 332.488 3.317 20 0 EGADMP C[C@@H]1CN(CCC[NH2+]Cc2ccc(OC(F)F)c(F)c2)CCCO1 ZINC000277637584 455620803 /nfs/dbraw/zinc/62/08/03/455620803.db2.gz CRDYSXRSRRKPRG-CYBMUJFWSA-N 2 1 346.393 3.018 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(OC(F)F)c(F)c2)CCCO1 ZINC000277637584 455620806 /nfs/dbraw/zinc/62/08/06/455620806.db2.gz CRDYSXRSRRKPRG-CYBMUJFWSA-N 2 1 346.393 3.018 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OC(F)F)c(F)c2)CCCO1 ZINC000277637584 455620810 /nfs/dbraw/zinc/62/08/10/455620810.db2.gz CRDYSXRSRRKPRG-CYBMUJFWSA-N 2 1 346.393 3.018 20 0 EGADMP CC(C)c1nnc([C@H](C)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)[nH]1 ZINC000271419392 455630136 /nfs/dbraw/zinc/63/01/36/455630136.db2.gz BPSAEHHHKDUHRY-CABCVRRESA-N 2 1 345.491 3.280 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000247887395 455652874 /nfs/dbraw/zinc/65/28/74/455652874.db2.gz DLQMSGYPVIJULU-DZFGPLHGSA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(OC)cc2)N2CCCC2)[C@@H](C)C1 ZINC000247887395 455652881 /nfs/dbraw/zinc/65/28/81/455652881.db2.gz DLQMSGYPVIJULU-DZFGPLHGSA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(OC)cc2)N2CCCC2)[C@@H](C)C1 ZINC000247887395 455652883 /nfs/dbraw/zinc/65/28/83/455652883.db2.gz DLQMSGYPVIJULU-DZFGPLHGSA-N 2 1 345.531 3.152 20 0 EGADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000284244501 455656806 /nfs/dbraw/zinc/65/68/06/455656806.db2.gz VHBPZGHDSSLKHS-RTWAWAEBSA-N 2 1 340.515 3.062 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000192657998 455663484 /nfs/dbraw/zinc/66/34/84/455663484.db2.gz PNTYTADILDPETD-HOCLYGCPSA-N 2 1 346.471 3.216 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000192657998 455663487 /nfs/dbraw/zinc/66/34/87/455663487.db2.gz PNTYTADILDPETD-HOCLYGCPSA-N 2 1 346.471 3.216 20 0 EGADMP CC(C)c1nnc([C@H](C)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)[nH]1 ZINC000271519055 455669458 /nfs/dbraw/zinc/66/94/58/455669458.db2.gz OEABROQYAPYQGI-CABCVRRESA-N 2 1 345.491 3.280 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc2ccccc2n1 ZINC000271518866 455669561 /nfs/dbraw/zinc/66/95/61/455669561.db2.gz PFUYDKPCARKDQX-ONGXBYRLSA-N 2 1 339.483 3.263 20 0 EGADMP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCc3c2c(F)ccc3F)ccn1 ZINC000271529846 455674000 /nfs/dbraw/zinc/67/40/00/455674000.db2.gz PNAVBSXPQMGCCY-KRWDZBQOSA-N 2 1 347.409 3.077 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)CC1 ZINC000192741491 455682504 /nfs/dbraw/zinc/68/25/04/455682504.db2.gz SOZAFGXUZWRWMZ-FPOVZHCZSA-N 2 1 329.532 3.281 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccccc3Cl)CC[C@H]21 ZINC000248126775 455684396 /nfs/dbraw/zinc/68/43/96/455684396.db2.gz NZUBRMZNLZFECT-WMLDXEAASA-N 2 1 335.879 3.085 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3Cl)CC[C@H]21 ZINC000248126775 455684400 /nfs/dbraw/zinc/68/44/00/455684400.db2.gz NZUBRMZNLZFECT-WMLDXEAASA-N 2 1 335.879 3.085 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3Cl)CC[C@H]21 ZINC000248126775 455684404 /nfs/dbraw/zinc/68/44/04/455684404.db2.gz NZUBRMZNLZFECT-WMLDXEAASA-N 2 1 335.879 3.085 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccncc3)cs2)[C@H](C)C1 ZINC000271563705 455685615 /nfs/dbraw/zinc/68/56/15/455685615.db2.gz YEECFEHULNNHDF-ZBFHGGJFSA-N 2 1 330.501 3.068 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@H](CC)[C@@H](O)c2c(F)cccc2F)CC1 ZINC000271652619 455712409 /nfs/dbraw/zinc/71/24/09/455712409.db2.gz BPMULISWJCPGAJ-SJLPKXTDSA-N 2 1 326.431 3.241 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COC3(CCCC3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000271663431 455716251 /nfs/dbraw/zinc/71/62/51/455716251.db2.gz HNNCVTVNCXULET-YZGWKJHDSA-N 2 1 344.499 3.315 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COC3(CCCC3)O2)CC[N@H+]1Cc1ccccc1 ZINC000271663431 455716255 /nfs/dbraw/zinc/71/62/55/455716255.db2.gz HNNCVTVNCXULET-YZGWKJHDSA-N 2 1 344.499 3.315 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2ccccc2n1 ZINC000268884638 455718379 /nfs/dbraw/zinc/71/83/79/455718379.db2.gz IGVOAXAKVJRISS-SJLPKXTDSA-N 2 1 327.472 3.122 20 0 EGADMP CCOc1cccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1OC(F)F ZINC000271788118 455759624 /nfs/dbraw/zinc/75/96/24/455759624.db2.gz FYUNKZBPDUFAJE-UHFFFAOYSA-N 2 1 326.387 3.038 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000269024946 455766899 /nfs/dbraw/zinc/76/68/99/455766899.db2.gz REBKNTLXHLPZRR-FKPGQJDZSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269024946 455766907 /nfs/dbraw/zinc/76/69/07/455766907.db2.gz REBKNTLXHLPZRR-FKPGQJDZSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269024946 455766913 /nfs/dbraw/zinc/76/69/13/455766913.db2.gz REBKNTLXHLPZRR-FKPGQJDZSA-N 2 1 327.516 3.112 20 0 EGADMP Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)on1 ZINC000269081628 455785714 /nfs/dbraw/zinc/78/57/14/455785714.db2.gz ZRYZTWUAJWTVHC-AZUAARDMSA-N 2 1 325.456 3.470 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000269269438 455825326 /nfs/dbraw/zinc/82/53/26/455825326.db2.gz CWWVDZBIIAUIGV-CYBMUJFWSA-N 2 1 330.501 3.156 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000269269438 455825334 /nfs/dbraw/zinc/82/53/34/455825334.db2.gz CWWVDZBIIAUIGV-CYBMUJFWSA-N 2 1 330.501 3.156 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c(C)c1OC ZINC000285561330 455869766 /nfs/dbraw/zinc/86/97/66/455869766.db2.gz HGTQBLHXWPLNMX-WBAXXEDZSA-N 2 1 332.488 3.160 20 0 EGADMP c1cn(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000285611728 455881874 /nfs/dbraw/zinc/88/18/74/455881874.db2.gz KHJKHKQEQDDCSA-PCCBWWKXSA-N 2 1 338.499 3.164 20 0 EGADMP CC(C)n1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272245415 455889854 /nfs/dbraw/zinc/88/98/54/455889854.db2.gz XGEAZMAYPNRVGI-YLJYHZDGSA-N 2 1 326.488 3.464 20 0 EGADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000296365918 455919627 /nfs/dbraw/zinc/91/96/27/455919627.db2.gz IZTUJEVZTKWXLK-CUJSOJNGSA-N 2 1 342.483 3.383 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C[C@H]1c1ccccc1 ZINC000261709189 455931979 /nfs/dbraw/zinc/93/19/79/455931979.db2.gz MHVLNDVMNAIGNK-NJAFHUGGSA-N 2 1 343.496 3.169 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C[C@H]1c1ccccc1 ZINC000261709189 455931986 /nfs/dbraw/zinc/93/19/86/455931986.db2.gz MHVLNDVMNAIGNK-NJAFHUGGSA-N 2 1 343.496 3.169 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cnc([C@H]3CCCO3)s2)C[C@H]1c1ccccc1 ZINC000261709185 455932448 /nfs/dbraw/zinc/93/24/48/455932448.db2.gz MHVLNDVMNAIGNK-BPQIPLTHSA-N 2 1 343.496 3.169 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C[C@H]1c1ccccc1 ZINC000261709185 455932454 /nfs/dbraw/zinc/93/24/54/455932454.db2.gz MHVLNDVMNAIGNK-BPQIPLTHSA-N 2 1 343.496 3.169 20 0 EGADMP C[C@@H](NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272385157 455933844 /nfs/dbraw/zinc/93/38/44/455933844.db2.gz WYYJGJMCYBIQGY-WIYYLYMNSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272385157 455933849 /nfs/dbraw/zinc/93/38/49/455933849.db2.gz WYYJGJMCYBIQGY-WIYYLYMNSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272385157 455933851 /nfs/dbraw/zinc/93/38/51/455933851.db2.gz WYYJGJMCYBIQGY-WIYYLYMNSA-N 3 1 341.543 3.361 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1OCc1ccccc1 ZINC000261753952 455940461 /nfs/dbraw/zinc/94/04/61/455940461.db2.gz LIOCMBOSGCYJLR-OAQYLSRUSA-N 2 1 340.467 3.445 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1OCc1ccccc1 ZINC000261753952 455940488 /nfs/dbraw/zinc/94/04/88/455940488.db2.gz LIOCMBOSGCYJLR-OAQYLSRUSA-N 2 1 340.467 3.445 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000285926250 455943220 /nfs/dbraw/zinc/94/32/20/455943220.db2.gz CQZQCEHGJCMQOL-HZPDHXFCSA-N 2 1 345.487 3.036 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)ccc1OCC(F)(F)F ZINC000261769494 455944926 /nfs/dbraw/zinc/94/49/26/455944926.db2.gz SBHJUDLRTQEJBK-MRXNPFEDSA-N 2 1 346.393 3.197 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1OCC(F)(F)F ZINC000261769494 455944929 /nfs/dbraw/zinc/94/49/29/455944929.db2.gz SBHJUDLRTQEJBK-MRXNPFEDSA-N 2 1 346.393 3.197 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCSc2ccc(OC)cc21 ZINC000187763526 455950320 /nfs/dbraw/zinc/95/03/20/455950320.db2.gz LCFZSZBLSBHLRW-KRWDZBQOSA-N 2 1 338.517 3.180 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])cc2)C1 ZINC000261835069 455955751 /nfs/dbraw/zinc/95/57/51/455955751.db2.gz UMUSBXJXGVPDON-KVSKMBFKSA-N 2 1 329.488 3.232 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000195466249 455965204 /nfs/dbraw/zinc/96/52/04/455965204.db2.gz LTIAWZOKDSRLMR-KSZLIROESA-N 2 1 333.495 3.377 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000195466249 455965206 /nfs/dbraw/zinc/96/52/06/455965206.db2.gz LTIAWZOKDSRLMR-KSZLIROESA-N 2 1 333.495 3.377 20 0 EGADMP CC[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000261961087 455978352 /nfs/dbraw/zinc/97/83/52/455978352.db2.gz PFVYQKUWFWOKJX-IBGZPJMESA-N 2 1 330.451 3.035 20 0 EGADMP CC[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000261961087 455978360 /nfs/dbraw/zinc/97/83/60/455978360.db2.gz PFVYQKUWFWOKJX-IBGZPJMESA-N 2 1 330.451 3.035 20 0 EGADMP Cc1nccn1CCCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272566246 455997346 /nfs/dbraw/zinc/99/73/46/455997346.db2.gz UUXXGLQKPYNSDL-GHTZIAJQSA-N 2 1 340.515 3.472 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272566246 455997351 /nfs/dbraw/zinc/99/73/51/455997351.db2.gz UUXXGLQKPYNSDL-GHTZIAJQSA-N 3 1 340.515 3.472 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272566246 455997356 /nfs/dbraw/zinc/99/73/56/455997356.db2.gz UUXXGLQKPYNSDL-GHTZIAJQSA-N 3 1 340.515 3.472 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1c1ccccc1 ZINC000262306154 456022516 /nfs/dbraw/zinc/02/25/16/456022516.db2.gz YHGYWUWCIQSPHT-CTNGQTDRSA-N 2 1 332.451 3.047 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000262456506 456037710 /nfs/dbraw/zinc/03/77/10/456037710.db2.gz VHYGVTDEARDQIJ-RDJZCZTQSA-N 2 1 340.471 3.381 20 0 EGADMP C[C@H](CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262665095 456052723 /nfs/dbraw/zinc/05/27/23/456052723.db2.gz PFEPKJGABAJVCZ-QUCCMNQESA-N 2 1 349.563 3.127 20 0 EGADMP CC[N@@H+](CCO)Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000270981377 456084302 /nfs/dbraw/zinc/08/43/02/456084302.db2.gz DAVANXSTEFTZMP-UHFFFAOYSA-N 2 1 339.439 3.036 20 0 EGADMP Fc1ccc(Cl)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000188843501 456150542 /nfs/dbraw/zinc/15/05/42/456150542.db2.gz KWHXNYPQPMKYOI-UHFFFAOYSA-N 2 1 326.843 3.023 20 0 EGADMP Cc1nn(C)cc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289890510 456170382 /nfs/dbraw/zinc/17/03/82/456170382.db2.gz SRKOPTZVOPMDLR-LJQANCHMSA-N 2 1 326.488 3.120 20 0 EGADMP Cc1nn(C)cc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289890510 456170385 /nfs/dbraw/zinc/17/03/85/456170385.db2.gz SRKOPTZVOPMDLR-LJQANCHMSA-N 2 1 326.488 3.120 20 0 EGADMP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289919952 456181328 /nfs/dbraw/zinc/18/13/28/456181328.db2.gz VJFUQTWMRWSLGH-IBGZPJMESA-N 2 1 326.488 3.418 20 0 EGADMP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289919952 456181335 /nfs/dbraw/zinc/18/13/35/456181335.db2.gz VJFUQTWMRWSLGH-IBGZPJMESA-N 2 1 326.488 3.418 20 0 EGADMP CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236778894 456181962 /nfs/dbraw/zinc/18/19/62/456181962.db2.gz MSUHQBQLHJGVLA-VQIMIIECSA-N 2 1 331.504 3.052 20 0 EGADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000281373927 456216499 /nfs/dbraw/zinc/21/64/99/456216499.db2.gz WUWYJEMMQVKQFK-AWEZNQCLSA-N 2 1 344.421 3.073 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCCO1 ZINC000281383511 456219170 /nfs/dbraw/zinc/21/91/70/456219170.db2.gz WICVFVCJIYZMCN-HXUWFJFHSA-N 2 1 345.531 3.218 20 0 EGADMP COc1ncccc1CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290028964 456220003 /nfs/dbraw/zinc/22/00/03/456220003.db2.gz CSWZEBMUBZUBQQ-PXNSSMCTSA-N 2 1 339.483 3.133 20 0 EGADMP CCC[C@@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@@H+]1CCOC ZINC000301914015 456249240 /nfs/dbraw/zinc/24/92/40/456249240.db2.gz HXGAXERULITQNZ-MRXNPFEDSA-N 2 1 331.435 3.311 20 0 EGADMP CCC[C@@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@H+]1CCOC ZINC000301914015 456249241 /nfs/dbraw/zinc/24/92/41/456249241.db2.gz HXGAXERULITQNZ-MRXNPFEDSA-N 2 1 331.435 3.311 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1ccc(Cl)cc1F ZINC000281511648 456253162 /nfs/dbraw/zinc/25/31/62/456253162.db2.gz YSQNZNBGRCPHFQ-UHFFFAOYSA-N 2 1 341.858 3.225 20 0 EGADMP COCCOCc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000290159967 456255547 /nfs/dbraw/zinc/25/55/47/456255547.db2.gz XJROALVBRMRJEN-NRFANRHFSA-N 2 1 346.515 3.300 20 0 EGADMP COCCOCc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000290159967 456255551 /nfs/dbraw/zinc/25/55/51/456255551.db2.gz XJROALVBRMRJEN-NRFANRHFSA-N 2 1 346.515 3.300 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@]1(C)CCCO1 ZINC000340172651 456289615 /nfs/dbraw/zinc/28/96/15/456289615.db2.gz UJQAVUXGADNUEO-IIMDRIAPSA-N 2 1 346.515 3.343 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352774549 456294903 /nfs/dbraw/zinc/29/49/03/456294903.db2.gz YBAFPCFDOPRVIJ-AWEZNQCLSA-N 2 1 333.501 3.324 20 0 EGADMP CCN(CC)C(=O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340184268 456297939 /nfs/dbraw/zinc/29/79/39/456297939.db2.gz KAEWCJFIVZKBAU-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CCN(CC)C(=O)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340184268 456297943 /nfs/dbraw/zinc/29/79/43/456297943.db2.gz KAEWCJFIVZKBAU-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP COc1ccc(C[N@@H+](CCc2cncn2C)CC2CCC2)c(OC)c1 ZINC000297830907 456304150 /nfs/dbraw/zinc/30/41/50/456304150.db2.gz ZPKSMQOZUSQYKX-UHFFFAOYSA-N 2 1 343.471 3.282 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cncc(Br)c3)C2)CC1 ZINC000290364843 456307376 /nfs/dbraw/zinc/30/73/76/456307376.db2.gz HCQVPITWGYZMMM-OAHLLOKOSA-N 2 1 338.293 3.008 20 0 EGADMP CCn1nc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000290375665 456308994 /nfs/dbraw/zinc/30/89/94/456308994.db2.gz HUHZNFUTXZTNKT-QGZVFWFLSA-N 2 1 326.488 3.220 20 0 EGADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000352820817 456336070 /nfs/dbraw/zinc/33/60/70/456336070.db2.gz ZPYPTSXODPTASY-CZUORRHYSA-N 2 1 331.287 3.491 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000352820817 456336075 /nfs/dbraw/zinc/33/60/75/456336075.db2.gz ZPYPTSXODPTASY-CZUORRHYSA-N 2 1 331.287 3.491 20 0 EGADMP COc1ccc(OC)c(C[N@@H+](CCc2cncn2C)C(C)(C)C)c1 ZINC000297981218 456337203 /nfs/dbraw/zinc/33/72/03/456337203.db2.gz YDEXSUCYPVCGDZ-UHFFFAOYSA-N 2 1 331.460 3.281 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+](CC)CC ZINC000347746809 456346605 /nfs/dbraw/zinc/34/66/05/456346605.db2.gz YTCRLORBLGOMBI-ICSRJNTNSA-N 2 1 345.531 3.230 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000290544534 456359527 /nfs/dbraw/zinc/35/95/27/456359527.db2.gz RLJDGSMIUZEFKA-CRAIPNDOSA-N 2 1 326.444 3.041 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000290544534 456359530 /nfs/dbraw/zinc/35/95/30/456359530.db2.gz RLJDGSMIUZEFKA-CRAIPNDOSA-N 2 1 326.444 3.041 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000290544534 456359535 /nfs/dbraw/zinc/35/95/35/456359535.db2.gz RLJDGSMIUZEFKA-CRAIPNDOSA-N 2 1 326.444 3.041 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000290544534 456359538 /nfs/dbraw/zinc/35/95/38/456359538.db2.gz RLJDGSMIUZEFKA-CRAIPNDOSA-N 2 1 326.444 3.041 20 0 EGADMP CCOCc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1OC ZINC000290542219 456359902 /nfs/dbraw/zinc/35/99/02/456359902.db2.gz RHGKAJJSIQFVQH-PKOBYXMFSA-N 2 1 332.488 3.148 20 0 EGADMP CCOCc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1OC ZINC000290542219 456359906 /nfs/dbraw/zinc/35/99/06/456359906.db2.gz RHGKAJJSIQFVQH-PKOBYXMFSA-N 2 1 332.488 3.148 20 0 EGADMP CCOCc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1OC ZINC000290542219 456359912 /nfs/dbraw/zinc/35/99/12/456359912.db2.gz RHGKAJJSIQFVQH-PKOBYXMFSA-N 2 1 332.488 3.148 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000290624725 456386986 /nfs/dbraw/zinc/38/69/86/456386986.db2.gz OWCDPKCMDBHGNT-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000298220252 456394849 /nfs/dbraw/zinc/39/48/49/456394849.db2.gz AHSJUZWGPSNAQN-UHFFFAOYSA-N 3 1 338.499 3.292 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccncc1F ZINC000340350667 456408115 /nfs/dbraw/zinc/40/81/15/456408115.db2.gz QHVKMYDEKRMHGR-YJBOKZPZSA-N 2 1 343.446 3.028 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccncc1F ZINC000340350667 456408124 /nfs/dbraw/zinc/40/81/24/456408124.db2.gz QHVKMYDEKRMHGR-YJBOKZPZSA-N 2 1 343.446 3.028 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340369591 456417336 /nfs/dbraw/zinc/41/73/36/456417336.db2.gz FJGMYLFCAMIFRL-FPOVZHCZSA-N 3 1 327.516 3.286 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340369591 456417342 /nfs/dbraw/zinc/41/73/42/456417342.db2.gz FJGMYLFCAMIFRL-FPOVZHCZSA-N 3 1 327.516 3.286 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000290785002 456429470 /nfs/dbraw/zinc/42/94/70/456429470.db2.gz WWIOMQKHGTWUNM-QGZVFWFLSA-N 2 1 348.535 3.055 20 0 EGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000290785002 456429474 /nfs/dbraw/zinc/42/94/74/456429474.db2.gz WWIOMQKHGTWUNM-QGZVFWFLSA-N 2 1 348.535 3.055 20 0 EGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000290785002 456429479 /nfs/dbraw/zinc/42/94/79/456429479.db2.gz WWIOMQKHGTWUNM-QGZVFWFLSA-N 2 1 348.535 3.055 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2CC2CCCCC2)CC1 ZINC000303598938 456470248 /nfs/dbraw/zinc/47/02/48/456470248.db2.gz UQUFPNNMXOTVGR-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NCc1ccccc1N1CC[NH+](CC)CC1 ZINC000353074530 456474114 /nfs/dbraw/zinc/47/41/14/456474114.db2.gz UICVRBJMALFEJQ-IBGZPJMESA-N 2 1 346.563 3.039 20 0 EGADMP CCCN(CC)C[C@H](C)[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000353074530 456474122 /nfs/dbraw/zinc/47/41/22/456474122.db2.gz UICVRBJMALFEJQ-IBGZPJMESA-N 2 1 346.563 3.039 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCO[C@@H]1CCCCO1 ZINC000282371825 456493179 /nfs/dbraw/zinc/49/31/79/456493179.db2.gz CEDKDTUVVZHNIZ-VQTJNVASSA-N 2 1 346.515 3.420 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCO[C@@H]1CCCCO1 ZINC000282371825 456493187 /nfs/dbraw/zinc/49/31/87/456493187.db2.gz CEDKDTUVVZHNIZ-VQTJNVASSA-N 2 1 346.515 3.420 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)CC[N@H+]1C ZINC000340517260 456504123 /nfs/dbraw/zinc/50/41/23/456504123.db2.gz ZSBBGOPDQOAQQN-ZBFHGGJFSA-N 2 1 334.533 3.126 20 0 EGADMP CC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCOCC1 ZINC000291085948 456523139 /nfs/dbraw/zinc/52/31/39/456523139.db2.gz HEEMDFNLHHOVJX-UHFFFAOYSA-N 2 1 334.479 3.239 20 0 EGADMP COC[C@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000651669014 462296082 /nfs/dbraw/zinc/29/60/82/462296082.db2.gz ABVYFKDCMYMFJC-IBGZPJMESA-N 2 1 334.504 3.060 20 0 EGADMP COc1cc2[nH+]ccc(N3CC[C@]4(C3)CCC[N@@H+](C)C4)c2cc1OC ZINC000298924584 456570125 /nfs/dbraw/zinc/57/01/25/456570125.db2.gz OXPBGIDIQRNRQU-HXUWFJFHSA-N 2 1 341.455 3.174 20 0 EGADMP COc1ncc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309707286 456575271 /nfs/dbraw/zinc/57/52/71/456575271.db2.gz IKAUSUHXPMKGAD-GDBMZVCRSA-N 2 1 331.485 3.152 20 0 EGADMP COc1ncc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309707286 456575276 /nfs/dbraw/zinc/57/52/76/456575276.db2.gz IKAUSUHXPMKGAD-GDBMZVCRSA-N 2 1 331.485 3.152 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000309821566 456577365 /nfs/dbraw/zinc/57/73/65/456577365.db2.gz PRCIQKRPUSWGBX-FHERZECASA-N 2 1 327.513 3.141 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000309821566 456577369 /nfs/dbraw/zinc/57/73/69/456577369.db2.gz PRCIQKRPUSWGBX-FHERZECASA-N 2 1 327.513 3.141 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310016803 456578291 /nfs/dbraw/zinc/57/82/91/456578291.db2.gz CFFZQJYQSDDMIJ-LTIDMASMSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310016803 456578296 /nfs/dbraw/zinc/57/82/96/456578296.db2.gz CFFZQJYQSDDMIJ-LTIDMASMSA-N 2 1 339.524 3.094 20 0 EGADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000310139108 456580191 /nfs/dbraw/zinc/58/01/91/456580191.db2.gz MRIGONYSZPOZEI-JRSUCEMESA-N 2 1 328.500 3.444 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000310563744 456583219 /nfs/dbraw/zinc/58/32/19/456583219.db2.gz WQSGZLIRBXOVQB-ZACQAIPSSA-N 2 1 339.524 3.286 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000310563744 456583223 /nfs/dbraw/zinc/58/32/23/456583223.db2.gz WQSGZLIRBXOVQB-ZACQAIPSSA-N 2 1 339.524 3.286 20 0 EGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000276951760 456630461 /nfs/dbraw/zinc/63/04/61/456630461.db2.gz VKHCGCLHRQJPPJ-MRXNPFEDSA-N 2 1 348.487 3.011 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCC[NH+](C)[C@@H]2C)cc1)C(C)C ZINC000343455457 456632954 /nfs/dbraw/zinc/63/29/54/456632954.db2.gz PXVRQQCXAGYEHI-APWZRJJASA-N 2 1 331.504 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc1)C(C)C ZINC000343455457 456632961 /nfs/dbraw/zinc/63/29/61/456632961.db2.gz PXVRQQCXAGYEHI-APWZRJJASA-N 2 1 331.504 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)cc1)C(C)C ZINC000343455457 456632969 /nfs/dbraw/zinc/63/29/69/456632969.db2.gz PXVRQQCXAGYEHI-APWZRJJASA-N 2 1 331.504 3.129 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)[C@H](C)C1 ZINC000277032501 456659721 /nfs/dbraw/zinc/65/97/21/456659721.db2.gz FJVRGAFBXMPUGQ-MBPVOVBZSA-N 2 1 348.506 3.219 20 0 EGADMP C[N@H+](Cc1ccccc1OCc1ccncc1)CC1CC[NH+](C)CC1 ZINC000353421050 456690152 /nfs/dbraw/zinc/69/01/52/456690152.db2.gz XJGFZMVTNXFJIA-UHFFFAOYSA-N 2 1 339.483 3.434 20 0 EGADMP CCOC(=O)CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000343542829 456696748 /nfs/dbraw/zinc/69/67/48/456696748.db2.gz VEOLWCOFMQJCKR-WOJBJXKFSA-N 2 1 344.499 3.316 20 0 EGADMP CCOC(=O)CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000343542829 456696757 /nfs/dbraw/zinc/69/67/57/456696757.db2.gz VEOLWCOFMQJCKR-WOJBJXKFSA-N 2 1 344.499 3.316 20 0 EGADMP CCOC(=O)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000343542829 456696763 /nfs/dbraw/zinc/69/67/63/456696763.db2.gz VEOLWCOFMQJCKR-WOJBJXKFSA-N 2 1 344.499 3.316 20 0 EGADMP CCOC(=O)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000343542829 456696770 /nfs/dbraw/zinc/69/67/70/456696770.db2.gz VEOLWCOFMQJCKR-WOJBJXKFSA-N 2 1 344.499 3.316 20 0 EGADMP CCCn1ccnc1CCC[N@@H+](C)CCc1nc2ccccc2n1C ZINC000277159860 456702914 /nfs/dbraw/zinc/70/29/14/456702914.db2.gz KCYVLJBFNXHUIE-UHFFFAOYSA-N 2 1 339.487 3.287 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1nc2ccccc2n1C ZINC000277159860 456702920 /nfs/dbraw/zinc/70/29/20/456702920.db2.gz KCYVLJBFNXHUIE-UHFFFAOYSA-N 2 1 339.487 3.287 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1nc2ccccc2n1C ZINC000277159860 456702926 /nfs/dbraw/zinc/70/29/26/456702926.db2.gz KCYVLJBFNXHUIE-UHFFFAOYSA-N 2 1 339.487 3.287 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000353490400 456710579 /nfs/dbraw/zinc/71/05/79/456710579.db2.gz KZFYDCKXVGKSEQ-CMKODMSKSA-N 2 1 332.536 3.002 20 0 EGADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000353490400 456710595 /nfs/dbraw/zinc/71/05/95/456710595.db2.gz KZFYDCKXVGKSEQ-CMKODMSKSA-N 2 1 332.536 3.002 20 0 EGADMP CN(CC[N@@H+](C)Cc1ccc(C2CCC2)cc1)C1CC[NH+](C)CC1 ZINC000353497982 456717144 /nfs/dbraw/zinc/71/71/44/456717144.db2.gz QWLNFRNJPAENNV-UHFFFAOYSA-N 2 1 329.532 3.412 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)cc1 ZINC000299578340 456732763 /nfs/dbraw/zinc/73/27/63/456732763.db2.gz CGPAPSQBLKIFBP-WOJBJXKFSA-N 2 1 343.515 3.275 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000299578340 456732766 /nfs/dbraw/zinc/73/27/66/456732766.db2.gz CGPAPSQBLKIFBP-WOJBJXKFSA-N 2 1 343.515 3.275 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000299578340 456732774 /nfs/dbraw/zinc/73/27/74/456732774.db2.gz CGPAPSQBLKIFBP-WOJBJXKFSA-N 2 1 343.515 3.275 20 0 EGADMP CC(CC[NH+](C)Cc1cccnc1)CC[N@@H+](C)Cc1cccnc1 ZINC000299582624 456734248 /nfs/dbraw/zinc/73/42/48/456734248.db2.gz HUNRMTOTVVRPNG-UHFFFAOYSA-N 2 1 326.488 3.457 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)CCCN(C)Cc1ccco1 ZINC000353544159 456746600 /nfs/dbraw/zinc/74/66/00/456746600.db2.gz AUQQHVLQENGWCY-ZIFCJYIRSA-N 2 1 349.519 3.117 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000353544159 456746602 /nfs/dbraw/zinc/74/66/02/456746602.db2.gz AUQQHVLQENGWCY-ZIFCJYIRSA-N 2 1 349.519 3.117 20 0 EGADMP CC[C@@]1(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CCC[NH2+]1 ZINC000343768536 456772935 /nfs/dbraw/zinc/77/29/35/456772935.db2.gz KIFPGSFTLLZYQS-UTKZUKDTSA-N 2 1 343.515 3.209 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000291920079 456799643 /nfs/dbraw/zinc/79/96/43/456799643.db2.gz LBBYORCJUVULEX-UHFFFAOYSA-N 2 1 329.532 3.073 20 0 EGADMP C[C@@H]1CCC[C@](CNC2CC[NH+](Cc3ccccn3)CC2)([NH+](C)C)C1 ZINC000341512394 456871643 /nfs/dbraw/zinc/87/16/43/456871643.db2.gz SHXHJQJMYZDLKO-NQIIRXRSSA-N 2 1 344.547 3.146 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1C ZINC000353754162 456891393 /nfs/dbraw/zinc/89/13/93/456891393.db2.gz YJNWZRYLXAIXOW-ZFWWWQNUSA-N 2 1 338.879 3.416 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1C ZINC000353754162 456891396 /nfs/dbraw/zinc/89/13/96/456891396.db2.gz YJNWZRYLXAIXOW-ZFWWWQNUSA-N 2 1 338.879 3.416 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1C ZINC000353754162 456891400 /nfs/dbraw/zinc/89/14/00/456891400.db2.gz YJNWZRYLXAIXOW-ZFWWWQNUSA-N 2 1 338.879 3.416 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1C ZINC000353754162 456891405 /nfs/dbraw/zinc/89/14/05/456891405.db2.gz YJNWZRYLXAIXOW-ZFWWWQNUSA-N 2 1 338.879 3.416 20 0 EGADMP CCc1nc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc(C)[nH+]1 ZINC000341855814 456972916 /nfs/dbraw/zinc/97/29/16/456972916.db2.gz YEKNWFVGZBHTMG-HNNXBMFYSA-N 2 1 330.501 3.155 20 0 EGADMP CCc1nc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc(C)[nH+]1 ZINC000341855814 456972920 /nfs/dbraw/zinc/97/29/20/456972920.db2.gz YEKNWFVGZBHTMG-HNNXBMFYSA-N 2 1 330.501 3.155 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccn3)CCC2)[C@@H](C)C1 ZINC000353988399 456992185 /nfs/dbraw/zinc/99/21/85/456992185.db2.gz VJSDZCTWPWXPHK-RBUKOAKNSA-N 2 1 345.531 3.230 20 0 EGADMP CCCn1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000356536044 457043336 /nfs/dbraw/zinc/04/33/36/457043336.db2.gz YBHSOKLSPPHNTE-LEWJYISDSA-N 2 1 338.499 3.247 20 0 EGADMP CCCn1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000356536044 457043343 /nfs/dbraw/zinc/04/33/43/457043343.db2.gz YBHSOKLSPPHNTE-LEWJYISDSA-N 2 1 338.499 3.247 20 0 EGADMP CCCn1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000356536044 457043347 /nfs/dbraw/zinc/04/33/47/457043347.db2.gz YBHSOKLSPPHNTE-LEWJYISDSA-N 2 1 338.499 3.247 20 0 EGADMP CCCn1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000356536044 457043353 /nfs/dbraw/zinc/04/33/53/457043353.db2.gz YBHSOKLSPPHNTE-LEWJYISDSA-N 2 1 338.499 3.247 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000354096728 457059079 /nfs/dbraw/zinc/05/90/79/457059079.db2.gz LDDVJCBAAGBXED-IBGZPJMESA-N 2 1 342.487 3.009 20 0 EGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000354100782 457061736 /nfs/dbraw/zinc/06/17/36/457061736.db2.gz PDXLAZRSPKGFNL-MRXNPFEDSA-N 2 1 325.456 3.104 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000354100782 457061740 /nfs/dbraw/zinc/06/17/40/457061740.db2.gz PDXLAZRSPKGFNL-MRXNPFEDSA-N 2 1 325.456 3.104 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000354100782 457061744 /nfs/dbraw/zinc/06/17/44/457061744.db2.gz PDXLAZRSPKGFNL-MRXNPFEDSA-N 2 1 325.456 3.104 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000354100782 457061750 /nfs/dbraw/zinc/06/17/50/457061750.db2.gz PDXLAZRSPKGFNL-MRXNPFEDSA-N 2 1 325.456 3.104 20 0 EGADMP CC[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000339364367 457068547 /nfs/dbraw/zinc/06/85/47/457068547.db2.gz VXROXZCRTQRXSX-FQEVSTJZSA-N 2 1 345.531 3.135 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ncc(C)s2)[C@@H](C)C1 ZINC000349834207 457069976 /nfs/dbraw/zinc/06/99/76/457069976.db2.gz MSJBCKHMGRGJMK-VYDXJSESSA-N 2 1 339.549 3.282 20 0 EGADMP CCOc1cccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1OC(F)F ZINC000346644925 457088297 /nfs/dbraw/zinc/08/82/97/457088297.db2.gz NQJFBYQRJOGMNB-AWEZNQCLSA-N 2 1 330.419 3.492 20 0 EGADMP CCOc1cccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1OC(F)F ZINC000346644925 457088305 /nfs/dbraw/zinc/08/83/05/457088305.db2.gz NQJFBYQRJOGMNB-AWEZNQCLSA-N 2 1 330.419 3.492 20 0 EGADMP Cc1ccc([C@@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000359514790 457090207 /nfs/dbraw/zinc/09/02/07/457090207.db2.gz IJHUTEFFUPMUEA-GOSISDBHSA-N 2 1 327.472 3.056 20 0 EGADMP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000342080002 457096701 /nfs/dbraw/zinc/09/67/01/457096701.db2.gz FPIRKPCUFGPEPD-DIECFANBSA-N 2 1 326.444 3.165 20 0 EGADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000342080002 457096706 /nfs/dbraw/zinc/09/67/06/457096706.db2.gz FPIRKPCUFGPEPD-DIECFANBSA-N 2 1 326.444 3.165 20 0 EGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)C1 ZINC000339440571 457121044 /nfs/dbraw/zinc/12/10/44/457121044.db2.gz YSNMVWFEEHSROT-RTWAWAEBSA-N 2 1 344.499 3.162 20 0 EGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)C1 ZINC000339440571 457121050 /nfs/dbraw/zinc/12/10/50/457121050.db2.gz YSNMVWFEEHSROT-RTWAWAEBSA-N 2 1 344.499 3.162 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)C1 ZINC000339440571 457121054 /nfs/dbraw/zinc/12/10/54/457121054.db2.gz YSNMVWFEEHSROT-RTWAWAEBSA-N 2 1 344.499 3.162 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)C1 ZINC000339440571 457121056 /nfs/dbraw/zinc/12/10/56/457121056.db2.gz YSNMVWFEEHSROT-RTWAWAEBSA-N 2 1 344.499 3.162 20 0 EGADMP Cc1cc(-c2noc([C@H](C)[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)n2)ccc1F ZINC000342133176 457127312 /nfs/dbraw/zinc/12/73/12/457127312.db2.gz JTQTXKHHNJUPOI-QEWYBTABSA-N 2 1 344.434 3.304 20 0 EGADMP Cc1cc(-c2noc([C@H](C)[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)n2)ccc1F ZINC000342133176 457127317 /nfs/dbraw/zinc/12/73/17/457127317.db2.gz JTQTXKHHNJUPOI-QEWYBTABSA-N 2 1 344.434 3.304 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342160040 457141146 /nfs/dbraw/zinc/14/11/46/457141146.db2.gz LBTBRZPCTZVZRT-UGQVUOCMSA-N 2 1 335.879 3.035 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342160040 457141152 /nfs/dbraw/zinc/14/11/52/457141152.db2.gz LBTBRZPCTZVZRT-UGQVUOCMSA-N 2 1 335.879 3.035 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCCNc2cc(N3CCCCC3)ncn2)C1 ZINC000346743186 457143169 /nfs/dbraw/zinc/14/31/69/457143169.db2.gz NZHGLVQTJQAWRE-KRWDZBQOSA-N 2 1 331.508 3.391 20 0 EGADMP C[C@@H](C[NH2+]CC1([NH+]2CCCCC2)CCOCC1)CC1CCOCC1 ZINC000350049597 457154677 /nfs/dbraw/zinc/15/46/77/457154677.db2.gz PDXGHBRQRLOQOK-GOSISDBHSA-N 2 1 338.536 3.064 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000359950762 457166775 /nfs/dbraw/zinc/16/67/75/457166775.db2.gz UVOIKXJJYQNXIC-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000359950762 457166781 /nfs/dbraw/zinc/16/67/81/457166781.db2.gz UVOIKXJJYQNXIC-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000359950762 457166784 /nfs/dbraw/zinc/16/67/84/457166784.db2.gz UVOIKXJJYQNXIC-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000359950762 457166793 /nfs/dbraw/zinc/16/67/93/457166793.db2.gz UVOIKXJJYQNXIC-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000359950762 457166798 /nfs/dbraw/zinc/16/67/98/457166798.db2.gz UVOIKXJJYQNXIC-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1CC[NH+](C2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000354287315 457174433 /nfs/dbraw/zinc/17/44/33/457174433.db2.gz ZQYGHWYYFDYCQG-ICSRJNTNSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000354287315 457174437 /nfs/dbraw/zinc/17/44/37/457174437.db2.gz ZQYGHWYYFDYCQG-ICSRJNTNSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000354287315 457174441 /nfs/dbraw/zinc/17/44/41/457174441.db2.gz ZQYGHWYYFDYCQG-ICSRJNTNSA-N 2 1 343.515 3.030 20 0 EGADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000363020858 457199395 /nfs/dbraw/zinc/19/93/95/457199395.db2.gz WNZAGVNAZBOSRT-VQTJNVASSA-N 2 1 341.499 3.029 20 0 EGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000360041294 457219532 /nfs/dbraw/zinc/21/95/32/457219532.db2.gz PDWMYNABVSVUJZ-CGTJXYLNSA-N 2 1 329.488 3.237 20 0 EGADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC(F)F ZINC000360054050 457228407 /nfs/dbraw/zinc/22/84/07/457228407.db2.gz MNTPHGVZPPFQJB-OBJOEFQTSA-N 2 1 328.403 3.430 20 0 EGADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC(F)F ZINC000360054050 457228408 /nfs/dbraw/zinc/22/84/08/457228408.db2.gz MNTPHGVZPPFQJB-OBJOEFQTSA-N 2 1 328.403 3.430 20 0 EGADMP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000357019179 457280459 /nfs/dbraw/zinc/28/04/59/457280459.db2.gz VVTSSPURVRLOAO-BZSNNMDCSA-N 2 1 337.552 3.266 20 0 EGADMP COc1ccc(C)cc1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000342425648 457296791 /nfs/dbraw/zinc/29/67/91/457296791.db2.gz VOPDQJZAGMAAFL-UHFFFAOYSA-N 2 1 343.471 3.019 20 0 EGADMP CCc1nc(C)cc(NCc2ccc(-n3cc[nH+]c3C)c(F)c2)n1 ZINC000340021023 457320788 /nfs/dbraw/zinc/32/07/88/457320788.db2.gz YZRKZFNAXDSEIS-UHFFFAOYSA-N 2 1 325.391 3.015 20 0 EGADMP COc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)ccn1 ZINC000352434054 457364358 /nfs/dbraw/zinc/36/43/58/457364358.db2.gz ZJEIFFYEYXZEEH-WOJBJXKFSA-N 2 1 337.467 3.044 20 0 EGADMP COc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)ccn1 ZINC000352434054 457364361 /nfs/dbraw/zinc/36/43/61/457364361.db2.gz ZJEIFFYEYXZEEH-WOJBJXKFSA-N 2 1 337.467 3.044 20 0 EGADMP COc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ccn1 ZINC000352434054 457364365 /nfs/dbraw/zinc/36/43/65/457364365.db2.gz ZJEIFFYEYXZEEH-WOJBJXKFSA-N 2 1 337.467 3.044 20 0 EGADMP COc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ccn1 ZINC000352434054 457364368 /nfs/dbraw/zinc/36/43/68/457364368.db2.gz ZJEIFFYEYXZEEH-WOJBJXKFSA-N 2 1 337.467 3.044 20 0 EGADMP c1ccc(COc2ccccc2C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)nc1 ZINC000352535739 457446342 /nfs/dbraw/zinc/44/63/42/457446342.db2.gz VAHKUMRRBWLMAI-OAQYLSRUSA-N 2 1 337.467 3.236 20 0 EGADMP c1ccc(COc2ccccc2C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)nc1 ZINC000352535739 457446346 /nfs/dbraw/zinc/44/63/46/457446346.db2.gz VAHKUMRRBWLMAI-OAQYLSRUSA-N 2 1 337.467 3.236 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])ccc1OCC(F)(F)F ZINC000352536126 457447289 /nfs/dbraw/zinc/44/72/89/457447289.db2.gz ZWUWTOICCPKPPG-AWEZNQCLSA-N 2 1 346.393 3.340 20 0 EGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000392294478 457459056 /nfs/dbraw/zinc/45/90/56/457459056.db2.gz PRQGFJQMXGJPCR-NVXWUHKLSA-N 2 1 337.508 3.016 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000342724774 457480685 /nfs/dbraw/zinc/48/06/85/457480685.db2.gz HIYCEVKWBVILLZ-JTDSTZFVSA-N 2 1 329.488 3.388 20 0 EGADMP C[C@@H](CCc1ccsc1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000360982276 457488915 /nfs/dbraw/zinc/48/89/15/457488915.db2.gz IAYAXWXTUDAJDF-FXAWDEMLSA-N 2 1 344.524 3.296 20 0 EGADMP C[C@@H](CCc1ccsc1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000360982276 457488922 /nfs/dbraw/zinc/48/89/22/457488922.db2.gz IAYAXWXTUDAJDF-FXAWDEMLSA-N 2 1 344.524 3.296 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000398041130 457494005 /nfs/dbraw/zinc/49/40/05/457494005.db2.gz RXWFALASUMRVCW-QAPCUYQASA-N 2 1 332.879 3.037 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000342751364 457499209 /nfs/dbraw/zinc/49/92/09/457499209.db2.gz ODFUNHIUUQRTKT-ZWOKBUDYSA-N 2 1 343.515 3.065 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000401022423 457522218 /nfs/dbraw/zinc/52/22/18/457522218.db2.gz YIBOWAVWNDYZEA-CLAROIROSA-N 3 1 341.543 3.266 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]CCC2CC(OC(C)(C)C)C2)s1 ZINC000352707562 457546829 /nfs/dbraw/zinc/54/68/29/457546829.db2.gz SASAIQULBULWLO-UHFFFAOYSA-N 2 1 325.522 3.278 20 0 EGADMP Cc1ncccc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000374282245 457567472 /nfs/dbraw/zinc/56/74/72/457567472.db2.gz DNRIUNMUBWGDBP-UHFFFAOYSA-N 2 1 344.547 3.018 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCOC3(CCOCC3)C2)c1 ZINC000408521111 457578115 /nfs/dbraw/zinc/57/81/15/457578115.db2.gz IWXRZWQWZANPDN-UHFFFAOYSA-N 2 1 344.499 3.054 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCOC3(CCOCC3)C2)c1 ZINC000408521111 457578121 /nfs/dbraw/zinc/57/81/21/457578121.db2.gz IWXRZWQWZANPDN-UHFFFAOYSA-N 2 1 344.499 3.054 20 0 EGADMP C[N@H+]1CCCC[C@H]1CCN1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425501488 457578059 /nfs/dbraw/zinc/57/80/59/457578059.db2.gz OKAZOOWNKALFSE-PCCBWWKXSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1CCCC[C@H]1CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425501488 457578066 /nfs/dbraw/zinc/57/80/66/457578066.db2.gz OKAZOOWNKALFSE-PCCBWWKXSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1CCCC[C@H]1CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425501488 457578072 /nfs/dbraw/zinc/57/80/72/457578072.db2.gz OKAZOOWNKALFSE-PCCBWWKXSA-N 2 1 327.516 3.067 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000374528140 457650120 /nfs/dbraw/zinc/65/01/20/457650120.db2.gz SVPZYJRETMMHLZ-ZAAXVRCTSA-N 2 1 341.455 3.169 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000370653446 457691599 /nfs/dbraw/zinc/69/15/99/457691599.db2.gz LZIFVBNBSTZBBA-QUCCMNQESA-N 2 1 326.488 3.373 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370670591 457696476 /nfs/dbraw/zinc/69/64/76/457696476.db2.gz FDXJUYUYLSBZDX-SZMVWBNQSA-N 2 1 329.488 3.183 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C[NH3+])C(C)C)c1 ZINC000433132605 457762818 /nfs/dbraw/zinc/76/28/18/457762818.db2.gz GGHLNCXYRPXRDH-QGZVFWFLSA-N 2 1 328.460 3.224 20 0 EGADMP COC(=O)C1CCC([NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000426032549 457762949 /nfs/dbraw/zinc/76/29/49/457762949.db2.gz BLAIABVMBSRARP-ACBHZAAOSA-N 2 1 336.520 3.353 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCOCC(F)(F)F)CC2)cc1 ZINC000358089919 457780319 /nfs/dbraw/zinc/78/03/19/457780319.db2.gz STSQRXIHPWHRLV-UHFFFAOYSA-N 2 1 348.384 3.001 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCOCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000358089765 457780609 /nfs/dbraw/zinc/78/06/09/457780609.db2.gz SEMIWVBRLHSBNI-ZBFHGGJFSA-N 2 1 330.394 3.208 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCOCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000358089765 457780617 /nfs/dbraw/zinc/78/06/17/457780617.db2.gz SEMIWVBRLHSBNI-ZBFHGGJFSA-N 2 1 330.394 3.208 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)s1 ZINC000443622053 457788533 /nfs/dbraw/zinc/78/85/33/457788533.db2.gz JATIQANVBQSQTN-OKILXGFUSA-N 2 1 337.533 3.081 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)s1 ZINC000443622053 457788537 /nfs/dbraw/zinc/78/85/37/457788537.db2.gz JATIQANVBQSQTN-OKILXGFUSA-N 2 1 337.533 3.081 20 0 EGADMP CC(C)Oc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371292047 457851727 /nfs/dbraw/zinc/85/17/27/457851727.db2.gz ARZCULMCOFAEDY-YSIASYRMSA-N 2 1 332.488 3.157 20 0 EGADMP CC(C)Oc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371292047 457851732 /nfs/dbraw/zinc/85/17/32/457851732.db2.gz ARZCULMCOFAEDY-YSIASYRMSA-N 2 1 332.488 3.157 20 0 EGADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411475702 457897403 /nfs/dbraw/zinc/89/74/03/457897403.db2.gz TUXBPVXGLXYKMR-UXHICEINSA-N 2 1 341.499 3.029 20 0 EGADMP Cc1noc([C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000411721890 457962559 /nfs/dbraw/zinc/96/25/59/457962559.db2.gz XCWYPTNBCNKHNP-LJQANCHMSA-N 2 1 340.471 3.353 20 0 EGADMP Cc1cccc(NCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000358409164 457985326 /nfs/dbraw/zinc/98/53/26/457985326.db2.gz WFCZRICRZHGORO-ICSRJNTNSA-N 2 1 338.499 3.445 20 0 EGADMP Cc1cccc(NCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000358409164 457985335 /nfs/dbraw/zinc/98/53/35/457985335.db2.gz WFCZRICRZHGORO-ICSRJNTNSA-N 2 1 338.499 3.445 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434687912 458035753 /nfs/dbraw/zinc/03/57/53/458035753.db2.gz GIGIXIXJFUTELS-GOSISDBHSA-N 2 1 330.520 3.273 20 0 EGADMP Cc1cnc([C@@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000428304717 458117876 /nfs/dbraw/zinc/11/78/76/458117876.db2.gz XMDWAGWNVVZBRJ-MRXNPFEDSA-N 2 1 325.460 3.089 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435375734 458126863 /nfs/dbraw/zinc/12/68/63/458126863.db2.gz OEPXPOSCYZOGIY-QGZVFWFLSA-N 2 1 325.456 3.092 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435375734 458126867 /nfs/dbraw/zinc/12/68/67/458126867.db2.gz OEPXPOSCYZOGIY-QGZVFWFLSA-N 2 1 325.456 3.092 20 0 EGADMP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000435385939 458131759 /nfs/dbraw/zinc/13/17/59/458131759.db2.gz UHUNDPAHABHDEH-IBGZPJMESA-N 2 1 340.467 3.445 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000435385939 458131767 /nfs/dbraw/zinc/13/17/67/458131767.db2.gz UHUNDPAHABHDEH-IBGZPJMESA-N 2 1 340.467 3.445 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OCc3csc(C)n3)cc2)C1 ZINC000435389916 458134512 /nfs/dbraw/zinc/13/45/12/458134512.db2.gz NCSRIUIKMUBMPV-INIZCTEOSA-N 2 1 331.485 3.072 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3csc(C)n3)cc2)C1 ZINC000435389916 458134515 /nfs/dbraw/zinc/13/45/15/458134515.db2.gz NCSRIUIKMUBMPV-INIZCTEOSA-N 2 1 331.485 3.072 20 0 EGADMP C[N@@H+](Cc1cccc(OCc2ccccn2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435430590 458145270 /nfs/dbraw/zinc/14/52/70/458145270.db2.gz CWADTEDAPZGZEX-IBGZPJMESA-N 2 1 325.456 3.235 20 0 EGADMP Cc1ccc(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000435430512 458145385 /nfs/dbraw/zinc/14/53/85/458145385.db2.gz CFLADMZENFGEGL-LJQANCHMSA-N 2 1 338.499 3.181 20 0 EGADMP Cc1ccc(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000435430512 458145389 /nfs/dbraw/zinc/14/53/89/458145389.db2.gz CFLADMZENFGEGL-LJQANCHMSA-N 2 1 338.499 3.181 20 0 EGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)ccc21 ZINC000412378348 458186589 /nfs/dbraw/zinc/18/65/89/458186589.db2.gz LXSCXSYCRPETBH-PKOBYXMFSA-N 2 1 329.488 3.439 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Cl)s3)C2)CC1 ZINC000369398247 458202766 /nfs/dbraw/zinc/20/27/66/458202766.db2.gz MNQQUKRBRTXKCO-AWEZNQCLSA-N 2 1 327.925 3.002 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Cl)s3)C2)CC1 ZINC000369398247 458202770 /nfs/dbraw/zinc/20/27/70/458202770.db2.gz MNQQUKRBRTXKCO-AWEZNQCLSA-N 2 1 327.925 3.002 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000446788284 458228809 /nfs/dbraw/zinc/22/88/09/458228809.db2.gz XAMOKYAOPUPDOW-HNNXBMFYSA-N 2 1 339.549 3.373 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000446788284 458228816 /nfs/dbraw/zinc/22/88/16/458228816.db2.gz XAMOKYAOPUPDOW-HNNXBMFYSA-N 2 1 339.549 3.373 20 0 EGADMP COC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCCC1 ZINC000446825796 458233329 /nfs/dbraw/zinc/23/33/29/458233329.db2.gz KVDNFLVBUQUCAJ-CTNGQTDRSA-N 2 1 330.516 3.346 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000362551944 458264147 /nfs/dbraw/zinc/26/41/47/458264147.db2.gz KBONVBOZFWHEQM-JTDSTZFVSA-N 2 1 329.488 3.055 20 0 EGADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000362551944 458264155 /nfs/dbraw/zinc/26/41/55/458264155.db2.gz KBONVBOZFWHEQM-JTDSTZFVSA-N 2 1 329.488 3.055 20 0 EGADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000362551944 458264162 /nfs/dbraw/zinc/26/41/62/458264162.db2.gz KBONVBOZFWHEQM-JTDSTZFVSA-N 2 1 329.488 3.055 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000436249565 458276929 /nfs/dbraw/zinc/27/69/29/458276929.db2.gz DZZBRBDKDFOJGP-UXHICEINSA-N 2 1 343.515 3.203 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000436249565 458276935 /nfs/dbraw/zinc/27/69/35/458276935.db2.gz DZZBRBDKDFOJGP-UXHICEINSA-N 2 1 343.515 3.203 20 0 EGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000447543096 458308140 /nfs/dbraw/zinc/30/81/40/458308140.db2.gz QNVWUTWAUZHQTE-LMCOJAPRSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000447543096 458308145 /nfs/dbraw/zinc/30/81/45/458308145.db2.gz QNVWUTWAUZHQTE-LMCOJAPRSA-N 2 1 330.516 3.284 20 0 EGADMP C[NH+](C)[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1cccc(Cl)c1 ZINC000429323984 458316195 /nfs/dbraw/zinc/31/61/95/458316195.db2.gz YRZGXFTVIXKQCD-GOSISDBHSA-N 2 1 343.858 3.227 20 0 EGADMP C[C@H](CN1CCCC1=O)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000376655203 458362967 /nfs/dbraw/zinc/36/29/67/458362967.db2.gz FSMZWAQWBQYVEM-QHGAOEGBSA-N 2 1 343.515 3.030 20 0 EGADMP O[C@]1(C[NH2+]CCc2cccc(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000459422083 458366500 /nfs/dbraw/zinc/36/65/00/458366500.db2.gz CUEBXWOLGJKVMH-FQEVSTJZSA-N 2 1 344.886 3.109 20 0 EGADMP O[C@]1(C[NH2+]CCc2cccc(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000459422083 458366505 /nfs/dbraw/zinc/36/65/05/458366505.db2.gz CUEBXWOLGJKVMH-FQEVSTJZSA-N 2 1 344.886 3.109 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459534223 458403775 /nfs/dbraw/zinc/40/37/75/458403775.db2.gz FLWPDFNZFGBETR-IBGZPJMESA-N 2 1 327.472 3.465 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430135358 458408194 /nfs/dbraw/zinc/40/81/94/458408194.db2.gz TVIBGBHPEJIAJV-NRFANRHFSA-N 2 1 338.499 3.076 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430135358 458408197 /nfs/dbraw/zinc/40/81/97/458408197.db2.gz TVIBGBHPEJIAJV-NRFANRHFSA-N 2 1 338.499 3.076 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430135358 458408200 /nfs/dbraw/zinc/40/82/00/458408200.db2.gz TVIBGBHPEJIAJV-NRFANRHFSA-N 2 1 338.499 3.076 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430135358 458408203 /nfs/dbraw/zinc/40/82/03/458408203.db2.gz TVIBGBHPEJIAJV-NRFANRHFSA-N 2 1 338.499 3.076 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423444950 458434552 /nfs/dbraw/zinc/43/45/52/458434552.db2.gz RQIGPVYDBSXDJE-JVPBZIDWSA-N 2 1 339.483 3.419 20 0 EGADMP COc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000459695949 458450475 /nfs/dbraw/zinc/45/04/75/458450475.db2.gz JPLGWKMEOPARTR-FQEVSTJZSA-N 2 1 336.479 3.417 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000459722548 458456552 /nfs/dbraw/zinc/45/65/52/458456552.db2.gz BSKKWLQJRVPETL-QGZVFWFLSA-N 2 1 326.444 3.090 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc(Br)c2F)C1 ZINC000459732510 458460568 /nfs/dbraw/zinc/46/05/68/458460568.db2.gz GBNOQDKXMNZWHW-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000430586064 458466304 /nfs/dbraw/zinc/46/63/04/458466304.db2.gz XXDKBEZKEUTCJZ-SOLBZPMBSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000430586064 458466308 /nfs/dbraw/zinc/46/63/08/458466308.db2.gz XXDKBEZKEUTCJZ-SOLBZPMBSA-N 2 1 339.483 3.076 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000459743161 458466415 /nfs/dbraw/zinc/46/64/15/458466415.db2.gz WQQXYGZSOCALNJ-ZDUSSCGKSA-N 2 1 334.414 3.176 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000430601480 458469668 /nfs/dbraw/zinc/46/96/68/458469668.db2.gz UMNKHSOOCHDIEF-JJRVBVJISA-N 2 1 339.911 3.211 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000430601480 458469671 /nfs/dbraw/zinc/46/96/71/458469671.db2.gz UMNKHSOOCHDIEF-JJRVBVJISA-N 2 1 339.911 3.211 20 0 EGADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430629916 458473168 /nfs/dbraw/zinc/47/31/68/458473168.db2.gz QYJGBIXSEMMFNO-LBPRGKRZSA-N 2 1 334.261 3.168 20 0 EGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430629916 458473173 /nfs/dbraw/zinc/47/31/73/458473173.db2.gz QYJGBIXSEMMFNO-LBPRGKRZSA-N 2 1 334.261 3.168 20 0 EGADMP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000430949236 458508868 /nfs/dbraw/zinc/50/88/68/458508868.db2.gz NAPXPYNMEAWPNX-STQMWFEESA-N 2 1 348.878 3.434 20 0 EGADMP CCC[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C1CC[NH2+]CC1 ZINC000431085452 458526689 /nfs/dbraw/zinc/52/66/89/458526689.db2.gz QWMWRZDSFNQOBD-UHFFFAOYSA-N 2 1 343.515 3.277 20 0 EGADMP C[C@H](CCc1ccccc1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468554783 458526928 /nfs/dbraw/zinc/52/69/28/458526928.db2.gz PQPZBPGCSYVPTP-KNQAVFIVSA-N 2 1 338.495 3.234 20 0 EGADMP C[C@H](CCc1ccccc1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468554783 458526932 /nfs/dbraw/zinc/52/69/32/458526932.db2.gz PQPZBPGCSYVPTP-KNQAVFIVSA-N 2 1 338.495 3.234 20 0 EGADMP CCC[N@@H+](CCC(=O)Nc1ccccc1SC)C1CC[NH2+]CC1 ZINC000431087633 458527952 /nfs/dbraw/zinc/52/79/52/458527952.db2.gz USRQKBGKMRLLGN-UHFFFAOYSA-N 2 1 335.517 3.201 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CC[C@H]4CCOC4)CC[C@@H]32)cc1 ZINC000438120842 458537956 /nfs/dbraw/zinc/53/79/56/458537956.db2.gz XJMDLCRETNZEFD-HBMCJLEFSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CC[C@H]4CCOC4)CC[C@@H]32)cc1 ZINC000438120842 458537960 /nfs/dbraw/zinc/53/79/60/458537960.db2.gz XJMDLCRETNZEFD-HBMCJLEFSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CC[C@H]4CCOC4)CC[C@@H]32)cc1 ZINC000438120842 458537964 /nfs/dbraw/zinc/53/79/64/458537964.db2.gz XJMDLCRETNZEFD-HBMCJLEFSA-N 2 1 328.500 3.400 20 0 EGADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000438212101 458548645 /nfs/dbraw/zinc/54/86/45/458548645.db2.gz RQBIZKXQVZKMAT-HUUCEWRRSA-N 2 1 334.426 3.342 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000424251362 458593065 /nfs/dbraw/zinc/59/30/65/458593065.db2.gz YERVGTFGUSZKHT-LJQANCHMSA-N 2 1 337.467 3.304 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)c1 ZINC000438553017 458596176 /nfs/dbraw/zinc/59/61/76/458596176.db2.gz MLBDNIWHDCZKLC-HXUWFJFHSA-N 2 1 343.515 3.162 20 0 EGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000438553017 458596184 /nfs/dbraw/zinc/59/61/84/458596184.db2.gz MLBDNIWHDCZKLC-HXUWFJFHSA-N 2 1 343.515 3.162 20 0 EGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000438553017 458596190 /nfs/dbraw/zinc/59/61/90/458596190.db2.gz MLBDNIWHDCZKLC-HXUWFJFHSA-N 2 1 343.515 3.162 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccccc1CC[NH+](C)C ZINC000438571184 458601678 /nfs/dbraw/zinc/60/16/78/458601678.db2.gz KTYHUNCJWZVNLL-UHFFFAOYSA-N 2 1 328.460 3.139 20 0 EGADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424286031 458603376 /nfs/dbraw/zinc/60/33/76/458603376.db2.gz GSRCWMKTBAFBBI-CYBMUJFWSA-N 2 1 336.863 3.091 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(Cl)c1 ZINC000424283262 458603752 /nfs/dbraw/zinc/60/37/52/458603752.db2.gz BDVQFFNLKSCXKD-HNNXBMFYSA-N 2 1 349.906 3.359 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(Cl)c1 ZINC000424283262 458603760 /nfs/dbraw/zinc/60/37/60/458603760.db2.gz BDVQFFNLKSCXKD-HNNXBMFYSA-N 2 1 349.906 3.359 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1nc3cc(Cl)ccc3n1C)CC[NH2+]CC2 ZINC000424285058 458604480 /nfs/dbraw/zinc/60/44/80/458604480.db2.gz FACQUYWFYLKKNG-ZDUSSCGKSA-N 2 1 332.879 3.191 20 0 EGADMP [NH3+]C[C@@H](CN1CCC[N@@H+](CC2CCCCC2)CC1)c1ccc(F)cc1 ZINC000424300112 458609443 /nfs/dbraw/zinc/60/94/43/458609443.db2.gz JRIBWLDWGPVVIL-FQEVSTJZSA-N 2 1 347.522 3.456 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431741864 458615060 /nfs/dbraw/zinc/61/50/60/458615060.db2.gz SGZZMUKZYBHCEG-QUCCMNQESA-N 2 1 345.531 3.450 20 0 EGADMP CC1CC[NH+](CCCCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000431745444 458616724 /nfs/dbraw/zinc/61/67/24/458616724.db2.gz QQYYSNLHGBVCSB-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)(C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000424329969 458617257 /nfs/dbraw/zinc/61/72/57/458617257.db2.gz REEQAQQEJHAQGK-BZUAXINKSA-N 2 1 326.525 3.453 20 0 EGADMP COC(=O)CC1CC([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000424349106 458623233 /nfs/dbraw/zinc/62/32/33/458623233.db2.gz MSEGGMVOMVEFOZ-HDYDNRTBSA-N 2 1 344.499 3.220 20 0 EGADMP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000424372563 458628100 /nfs/dbraw/zinc/62/81/00/458628100.db2.gz FWMBBYTXPAGENF-HUUCEWRRSA-N 2 1 326.868 3.497 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1c[nH]nc1-c1ccc(F)cc1)CC[NH2+]CC2 ZINC000424379190 458629298 /nfs/dbraw/zinc/62/92/98/458629298.db2.gz OFPXBANOXVERQF-AWEZNQCLSA-N 2 1 328.435 3.180 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cc(C)cc(C[NH3+])c2)C1 ZINC000424435708 458643473 /nfs/dbraw/zinc/64/34/73/458643473.db2.gz LTBVLLOBJZWTSN-INIZCTEOSA-N 2 1 346.519 3.476 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC000439066805 458648994 /nfs/dbraw/zinc/64/89/94/458648994.db2.gz DSZJKZDTPXDOGX-GOEBONIOSA-N 2 1 333.476 3.036 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC000439066805 458648999 /nfs/dbraw/zinc/64/89/99/458648999.db2.gz DSZJKZDTPXDOGX-GOEBONIOSA-N 2 1 333.476 3.036 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH+]3C3CC3)cc2)C1 ZINC000494349261 458662385 /nfs/dbraw/zinc/66/23/85/458662385.db2.gz LFUBOAKKXGSDAN-JXFKEZNVSA-N 2 1 341.499 3.484 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cc2)C1 ZINC000494349261 458662392 /nfs/dbraw/zinc/66/23/92/458662392.db2.gz LFUBOAKKXGSDAN-JXFKEZNVSA-N 2 1 341.499 3.484 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)cc2)C1 ZINC000494349261 458662398 /nfs/dbraw/zinc/66/23/98/458662398.db2.gz LFUBOAKKXGSDAN-JXFKEZNVSA-N 2 1 341.499 3.484 20 0 EGADMP C[C@@H]1C[C@H](Nc2cc[nH+]c3ccc(Br)cc23)CC[N@@H+]1C ZINC000462875064 458663325 /nfs/dbraw/zinc/66/33/25/458663325.db2.gz GCSYLTABHVPJOX-DGCLKSJQSA-N 2 1 334.261 3.314 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1(CC)CC ZINC000432408819 458734342 /nfs/dbraw/zinc/73/43/42/458734342.db2.gz VOOXZNNJEYQEOI-FGTMMUONSA-N 2 1 326.525 3.061 20 0 EGADMP CSc1ccccc1C[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432423049 458738047 /nfs/dbraw/zinc/73/80/47/458738047.db2.gz WLWYBJCCSPYSKW-IRXDYDNUSA-N 2 1 336.545 3.430 20 0 EGADMP CSc1ccccc1C[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432423049 458738053 /nfs/dbraw/zinc/73/80/53/458738053.db2.gz WLWYBJCCSPYSKW-IRXDYDNUSA-N 2 1 336.545 3.430 20 0 EGADMP COc1cc2c(cc1C[N@H+]1CCCC13CC[NH+](C)CC3)O[C@H](C)C2 ZINC000530441958 458767723 /nfs/dbraw/zinc/76/77/23/458767723.db2.gz PEFHIROYISKWQA-OAHLLOKOSA-N 2 1 330.472 3.079 20 0 EGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)CCCNC(=O)C3CCC3)CC2)C1 ZINC000432799702 458789908 /nfs/dbraw/zinc/78/99/08/458789908.db2.gz ZBVIKFSUNHWJPU-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000495084336 458796513 /nfs/dbraw/zinc/79/65/13/458796513.db2.gz MBWPMYKXPICVPT-MSOLQXFVSA-N 2 1 345.531 3.407 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000518176287 458846177 /nfs/dbraw/zinc/84/61/77/458846177.db2.gz RLNOAHLPZKLDQV-RBUKOAKNSA-N 2 1 331.504 3.237 20 0 EGADMP CCc1oc(C(=O)OC)cc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000530939063 458847709 /nfs/dbraw/zinc/84/77/09/458847709.db2.gz ZTHHMABBRVJYKV-UHFFFAOYSA-N 2 1 336.476 3.181 20 0 EGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457198715 458895490 /nfs/dbraw/zinc/89/54/90/458895490.db2.gz KGUQXQFTVKVGDQ-UHFFFAOYSA-N 2 1 343.471 3.099 20 0 EGADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000518890075 458897384 /nfs/dbraw/zinc/89/73/84/458897384.db2.gz YMMHOVNCPZKABY-HKUYNNGSSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000518890075 458897387 /nfs/dbraw/zinc/89/73/87/458897387.db2.gz YMMHOVNCPZKABY-HKUYNNGSSA-N 2 1 345.531 3.306 20 0 EGADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000518980812 458905206 /nfs/dbraw/zinc/90/52/06/458905206.db2.gz NBUKPUTUDOXTKH-IBGZPJMESA-N 2 1 331.504 3.190 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495711236 458927773 /nfs/dbraw/zinc/92/77/73/458927773.db2.gz JFEZPZQCYBDEGN-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP C[C@@H](CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000519304106 458932850 /nfs/dbraw/zinc/93/28/50/458932850.db2.gz HCUITHXHZUFILR-UGKGYDQZSA-N 2 1 338.495 3.407 20 0 EGADMP C[C@@H](CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000519304106 458932854 /nfs/dbraw/zinc/93/28/54/458932854.db2.gz HCUITHXHZUFILR-UGKGYDQZSA-N 2 1 338.495 3.407 20 0 EGADMP CC(C)CN(CC(C)C)C(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441399997 458935868 /nfs/dbraw/zinc/93/58/68/458935868.db2.gz FYCGNRXGYVDTJJ-AZUAARDMSA-N 2 1 349.563 3.076 20 0 EGADMP C[N@H+]1CCN(CCC[NH2+]C(C2CC2)C2CC2)[C@H](c2ccccc2)C1 ZINC000531685501 458960250 /nfs/dbraw/zinc/96/02/50/458960250.db2.gz CBAJQOFARLSANI-FQEVSTJZSA-N 2 1 327.516 3.143 20 0 EGADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000531689154 458961099 /nfs/dbraw/zinc/96/10/99/458961099.db2.gz FYOLCIXHZAIPJZ-OUCADQQQSA-N 2 1 328.403 3.115 20 0 EGADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000531689154 458961107 /nfs/dbraw/zinc/96/11/07/458961107.db2.gz FYOLCIXHZAIPJZ-OUCADQQQSA-N 2 1 328.403 3.115 20 0 EGADMP C[C@@H](CCc1ccccc1)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000519569333 458964910 /nfs/dbraw/zinc/96/49/10/458964910.db2.gz WZOKFUZBBYGXQS-IBGZPJMESA-N 2 1 331.548 3.213 20 0 EGADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000531715225 458965480 /nfs/dbraw/zinc/96/54/80/458965480.db2.gz CSRKSAWRWWVSFS-CZUORRHYSA-N 2 1 330.394 3.324 20 0 EGADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000531715225 458965484 /nfs/dbraw/zinc/96/54/84/458965484.db2.gz CSRKSAWRWWVSFS-CZUORRHYSA-N 2 1 330.394 3.324 20 0 EGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000495879821 458990207 /nfs/dbraw/zinc/99/02/07/458990207.db2.gz WJMDGWMZICUPKC-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000531959487 459008427 /nfs/dbraw/zinc/00/84/27/459008427.db2.gz HBPQFGPFJRXTKK-PCKAHOCUSA-N 2 1 336.442 3.467 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000531959487 459008432 /nfs/dbraw/zinc/00/84/32/459008432.db2.gz HBPQFGPFJRXTKK-PCKAHOCUSA-N 2 1 336.442 3.467 20 0 EGADMP CN(C[C@H](O)C[N@H+]1CCCCC[C@H]1/C=C\c1ccccc1)C1CC1 ZINC000519846580 459015199 /nfs/dbraw/zinc/01/51/99/459015199.db2.gz CLJDSZKJWYPNLG-UFFGUFBSSA-N 2 1 328.500 3.400 20 0 EGADMP C[NH+](C[C@H](O)C[N@@H+]1CCCCC[C@H]1/C=C\c1ccccc1)C1CC1 ZINC000519846580 459015208 /nfs/dbraw/zinc/01/52/08/459015208.db2.gz CLJDSZKJWYPNLG-UFFGUFBSSA-N 2 1 328.500 3.400 20 0 EGADMP C[NH+](C[C@H](O)C[N@H+]1CCCCC[C@H]1/C=C\c1ccccc1)C1CC1 ZINC000519846580 459015210 /nfs/dbraw/zinc/01/52/10/459015210.db2.gz CLJDSZKJWYPNLG-UFFGUFBSSA-N 2 1 328.500 3.400 20 0 EGADMP CN(C)[C@H](C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc(Cl)cc1 ZINC000566924633 459022754 /nfs/dbraw/zinc/02/27/54/459022754.db2.gz RZSYANTXFFPPLW-MSOLQXFVSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@](O)(C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000556870150 459025731 /nfs/dbraw/zinc/02/57/31/459025731.db2.gz DTVZKTBYCPHRAE-NMIHRBCNSA-N 2 1 342.527 3.428 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C)c1cccc2ccccc21 ZINC000442757555 459031716 /nfs/dbraw/zinc/03/17/16/459031716.db2.gz MJRNPOJKLBAXEP-QZWWFDLISA-N 2 1 339.483 3.075 20 0 EGADMP CC[N@@H+](C)C[C@H](O)CN[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000567059408 459041719 /nfs/dbraw/zinc/04/17/19/459041719.db2.gz XOGYMAVMDQEJSW-WBMJQRKESA-N 2 1 331.287 3.347 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)CC1 ZINC000532193338 459044350 /nfs/dbraw/zinc/04/43/50/459044350.db2.gz IDSLXSRXPSXWJU-UHFFFAOYSA-N 2 1 327.516 3.102 20 0 EGADMP CC(C)[C@@H]1C[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2ccccc21 ZINC000442875961 459050143 /nfs/dbraw/zinc/05/01/43/459050143.db2.gz QAMFOMRUSCZZPJ-PMACEKPBSA-N 2 1 329.532 3.487 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC(C)(C)c3ccccc32)CC1(C)C ZINC000442876950 459050486 /nfs/dbraw/zinc/05/04/86/459050486.db2.gz SWHNYPQCHOWSME-IBGZPJMESA-N 2 1 329.532 3.415 20 0 EGADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000567169604 459057412 /nfs/dbraw/zinc/05/74/12/459057412.db2.gz WTBDIHCGANGDCL-MAUKXSAKSA-N 2 1 329.488 3.388 20 0 EGADMP CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000442917334 459060341 /nfs/dbraw/zinc/06/03/41/459060341.db2.gz AFOALFLUDWUVRD-ZDUSSCGKSA-N 2 1 326.868 3.308 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442922264 459061293 /nfs/dbraw/zinc/06/12/93/459061293.db2.gz KCPAMXNKVMEFGH-HNNXBMFYSA-N 2 1 332.879 3.395 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442932174 459062784 /nfs/dbraw/zinc/06/27/84/459062784.db2.gz XILVEBNFDJFNAM-MRXNPFEDSA-N 2 1 325.456 3.318 20 0 EGADMP Cc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@@H](CC[NH3+])C3)n2)cc1F ZINC000443057379 459079971 /nfs/dbraw/zinc/07/99/71/459079971.db2.gz GNMNCKLMIHGMKM-KGLIPLIRSA-N 2 1 332.423 3.306 20 0 EGADMP CSCc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000594525636 459081071 /nfs/dbraw/zinc/08/10/71/459081071.db2.gz XPTCNTWTKDZSSI-IBGZPJMESA-N 2 1 334.529 3.283 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443065160 459082941 /nfs/dbraw/zinc/08/29/41/459082941.db2.gz ZMHVPGPHFXGGCS-CVEARBPZSA-N 2 1 331.504 3.199 20 0 EGADMP COCc1nc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(-c2ccccc2)s1 ZINC000520838148 459100276 /nfs/dbraw/zinc/10/02/76/459100276.db2.gz RHGHKPUDTBFHAK-GJZGRUSLSA-N 2 1 331.485 3.316 20 0 EGADMP COc1ccc(C[C@H](C)C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1F ZINC000578050458 459138309 /nfs/dbraw/zinc/13/83/09/459138309.db2.gz AWUILRFJUXBXSM-KVSKMBFKSA-N 2 1 334.479 3.429 20 0 EGADMP COc1ccc(C[C@H](C)C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1F ZINC000578050458 459138318 /nfs/dbraw/zinc/13/83/18/459138318.db2.gz AWUILRFJUXBXSM-KVSKMBFKSA-N 2 1 334.479 3.429 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000496305824 459145331 /nfs/dbraw/zinc/14/53/31/459145331.db2.gz KETUHBBWZSZECZ-ZACQAIPSSA-N 2 1 339.524 3.001 20 0 EGADMP CC(C)C[C@@H]1COCC[NH+]1CCCC[N@@H+]1CCOC[C@H]1CC(C)C ZINC000558528519 459171180 /nfs/dbraw/zinc/17/11/80/459171180.db2.gz HEEJTCMJNJNONF-WOJBJXKFSA-N 2 1 340.552 3.260 20 0 EGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)Nc1cccc2ccccc21 ZINC000521988174 459200309 /nfs/dbraw/zinc/20/03/09/459200309.db2.gz XJLOMXWRTKZRQL-QEEYODRMSA-N 2 1 325.456 3.145 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000558720385 459203543 /nfs/dbraw/zinc/20/35/43/459203543.db2.gz USNXYMNZCYHTGB-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP CCOc1ccc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000533271291 459210935 /nfs/dbraw/zinc/21/09/35/459210935.db2.gz PGZCSOQGHIFISX-UHFFFAOYSA-N 2 1 347.503 3.076 20 0 EGADMP CCOc1ccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000533271291 459210941 /nfs/dbraw/zinc/21/09/41/459210941.db2.gz PGZCSOQGHIFISX-UHFFFAOYSA-N 2 1 347.503 3.076 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(OC)CCCCC2)[C@H](C)C1 ZINC000480694386 459214018 /nfs/dbraw/zinc/21/40/18/459214018.db2.gz PALOPKSFYKVVSQ-MSOLQXFVSA-N 2 1 326.525 3.062 20 0 EGADMP c1nc2cc(C[NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)ccc2[nH]1 ZINC000590798755 459224224 /nfs/dbraw/zinc/22/42/24/459224224.db2.gz YTDWGOUSURDNLT-IBGZPJMESA-N 2 1 334.467 3.217 20 0 EGADMP c1nc2ccc(C[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)cc2[nH]1 ZINC000590798755 459224230 /nfs/dbraw/zinc/22/42/30/459224230.db2.gz YTDWGOUSURDNLT-IBGZPJMESA-N 2 1 334.467 3.217 20 0 EGADMP c1nc2ccc(C[NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)cc2[nH]1 ZINC000590798755 459224235 /nfs/dbraw/zinc/22/42/35/459224235.db2.gz YTDWGOUSURDNLT-IBGZPJMESA-N 2 1 334.467 3.217 20 0 EGADMP CC(C)c1ccc(C[NH+]2CCN(CC[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000559321055 459251346 /nfs/dbraw/zinc/25/13/46/459251346.db2.gz SPQQITYTLAAQAP-NRFANRHFSA-N 2 1 329.532 3.412 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000496625361 459264671 /nfs/dbraw/zinc/26/46/71/459264671.db2.gz SZOWAMZPBKAAJZ-IKGGRYGDSA-N 2 1 339.524 3.144 20 0 EGADMP C[C@H](Cc1c[nH]cn1)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000568412233 459285256 /nfs/dbraw/zinc/28/52/56/459285256.db2.gz OTJWSVGRJYIIMV-IAGOWNOFSA-N 2 1 346.519 3.091 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000568412233 459285261 /nfs/dbraw/zinc/28/52/61/459285261.db2.gz OTJWSVGRJYIIMV-IAGOWNOFSA-N 2 1 346.519 3.091 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000568412233 459285268 /nfs/dbraw/zinc/28/52/68/459285268.db2.gz OTJWSVGRJYIIMV-IAGOWNOFSA-N 2 1 346.519 3.091 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N[C@H](C)c1ccccc1 ZINC000482166323 459294563 /nfs/dbraw/zinc/29/45/63/459294563.db2.gz TYBLCDBDWAVIGV-YZGWKJHDSA-N 2 1 345.531 3.354 20 0 EGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)ccc21 ZINC000582106338 459308342 /nfs/dbraw/zinc/30/83/42/459308342.db2.gz WTZFEDAPMYJOQQ-LJQANCHMSA-N 2 1 347.422 3.069 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[C@H]2CCC[NH2+]2)cc1)C(C)C ZINC000568864681 459356876 /nfs/dbraw/zinc/35/68/76/459356876.db2.gz HPRXEYPRLWQBBM-LJQANCHMSA-N 2 1 331.504 3.179 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC000497025954 459410836 /nfs/dbraw/zinc/41/08/36/459410836.db2.gz MPVDBZCIFZWKTE-QGZVFWFLSA-N 2 1 339.524 3.098 20 0 EGADMP C(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)CCOC1CCCCC1 ZINC000484805972 459431917 /nfs/dbraw/zinc/43/19/17/459431917.db2.gz LPPHDJWLTPSKJW-AQNXPRMDSA-N 2 1 338.536 3.253 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)C1 ZINC000582887312 459444975 /nfs/dbraw/zinc/44/49/75/459444975.db2.gz OFJIBGLIILQVMU-LZQZEXGQSA-N 2 1 336.907 3.362 20 0 EGADMP OC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000582938208 459453132 /nfs/dbraw/zinc/45/31/32/459453132.db2.gz FDGFWMGMHDCLKU-NRFANRHFSA-N 2 1 348.506 3.363 20 0 EGADMP Cc1ccc(NC(=O)CC[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nc1 ZINC000569474851 459459063 /nfs/dbraw/zinc/45/90/63/459459063.db2.gz SSESYZIYDXBQCV-HDICACEKSA-N 2 1 346.519 3.066 20 0 EGADMP CC[N@@H+](C[C@@H](O)CN(C)C1CC1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000562034322 459504535 /nfs/dbraw/zinc/50/45/35/459504535.db2.gz UZTHJEFPUORBMT-PMACEKPBSA-N 2 1 336.495 3.170 20 0 EGADMP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000562034322 459504539 /nfs/dbraw/zinc/50/45/39/459504539.db2.gz UZTHJEFPUORBMT-PMACEKPBSA-N 2 1 336.495 3.170 20 0 EGADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000562034322 459504541 /nfs/dbraw/zinc/50/45/41/459504541.db2.gz UZTHJEFPUORBMT-PMACEKPBSA-N 2 1 336.495 3.170 20 0 EGADMP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000562034322 459504545 /nfs/dbraw/zinc/50/45/45/459504545.db2.gz UZTHJEFPUORBMT-PMACEKPBSA-N 2 1 336.495 3.170 20 0 EGADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000562034322 459504550 /nfs/dbraw/zinc/50/45/50/459504550.db2.gz UZTHJEFPUORBMT-PMACEKPBSA-N 2 1 336.495 3.170 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2CCC2CCCC2)CC1 ZINC000486810465 459522977 /nfs/dbraw/zinc/52/29/77/459522977.db2.gz QZKLOUKLVOEFPC-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000526119106 459551323 /nfs/dbraw/zinc/55/13/23/459551323.db2.gz BPAXZDMJUJBJFB-DYESRHJHSA-N 2 1 342.458 3.156 20 0 EGADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000526119106 459551328 /nfs/dbraw/zinc/55/13/28/459551328.db2.gz BPAXZDMJUJBJFB-DYESRHJHSA-N 2 1 342.458 3.156 20 0 EGADMP C[C@H]1COCC[N@@H+]1CCS[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000592354503 459578327 /nfs/dbraw/zinc/57/83/27/459578327.db2.gz HGZMBLHWQUMBJT-PKOBYXMFSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@H]1COCC[N@H+]1CCS[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000592354503 459578332 /nfs/dbraw/zinc/57/83/32/459578332.db2.gz HGZMBLHWQUMBJT-PKOBYXMFSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@H]1COCC[NH+]1CCS[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000592354503 459578338 /nfs/dbraw/zinc/57/83/38/459578338.db2.gz HGZMBLHWQUMBJT-PKOBYXMFSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@H]1COCC[NH+]1CCS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000592354503 459578341 /nfs/dbraw/zinc/57/83/41/459578341.db2.gz HGZMBLHWQUMBJT-PKOBYXMFSA-N 2 1 334.529 3.105 20 0 EGADMP CSc1ccc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)s1 ZINC000572985968 459607543 /nfs/dbraw/zinc/60/75/43/459607543.db2.gz XGPUHAVDIMUALX-CQSZACIVSA-N 2 1 326.531 3.157 20 0 EGADMP Cc1cccc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C(C)C)CC2)c1 ZINC000573113121 459628245 /nfs/dbraw/zinc/62/82/45/459628245.db2.gz XNAQMOZOBQDNIJ-NRFANRHFSA-N 2 1 329.532 3.376 20 0 EGADMP Cc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C(C)C)CC2)c1 ZINC000573113121 459628247 /nfs/dbraw/zinc/62/82/47/459628247.db2.gz XNAQMOZOBQDNIJ-NRFANRHFSA-N 2 1 329.532 3.376 20 0 EGADMP Cc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C(C)C)CC2)c1 ZINC000573113121 459628252 /nfs/dbraw/zinc/62/82/52/459628252.db2.gz XNAQMOZOBQDNIJ-NRFANRHFSA-N 2 1 329.532 3.376 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000573111312 459628764 /nfs/dbraw/zinc/62/87/64/459628764.db2.gz QSIHHFZOFQTYBD-APWZRJJASA-N 2 1 338.923 3.488 20 0 EGADMP Fc1ccccc1COc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000573206805 459642519 /nfs/dbraw/zinc/64/25/19/459642519.db2.gz OOWOIJCUTYSDMH-HKUYNNGSSA-N 2 1 340.442 3.446 20 0 EGADMP Fc1ccccc1COc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000573206805 459642522 /nfs/dbraw/zinc/64/25/22/459642522.db2.gz OOWOIJCUTYSDMH-HKUYNNGSSA-N 2 1 340.442 3.446 20 0 EGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000573315543 459657835 /nfs/dbraw/zinc/65/78/35/459657835.db2.gz ANEAKMIAIFKUEG-OALUTQOASA-N 2 1 338.455 3.084 20 0 EGADMP CCC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)C ZINC000573336082 459661484 /nfs/dbraw/zinc/66/14/84/459661484.db2.gz GSXPGLWTFHGWHX-UHFFFAOYSA-N 2 1 331.504 3.019 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000500106891 459664176 /nfs/dbraw/zinc/66/41/76/459664176.db2.gz QHPSNVRBZHVKKU-SXLOBPIMSA-N 2 1 345.531 3.180 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527642051 459681914 /nfs/dbraw/zinc/68/19/14/459681914.db2.gz RIBIVIWYVUOYQI-UHFFFAOYSA-N 2 1 344.203 3.412 20 0 EGADMP CSc1ccc2c(c1)[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC000573683655 459717775 /nfs/dbraw/zinc/71/77/75/459717775.db2.gz BFZDMBOHVQIGKR-IBGZPJMESA-N 2 1 347.572 3.402 20 0 EGADMP C[C@H]([NH3+])C[C@H](C)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000573727699 459724665 /nfs/dbraw/zinc/72/46/65/459724665.db2.gz RLVJFGQRAPWCPB-IRXDYDNUSA-N 2 1 339.483 3.174 20 0 EGADMP CC(C)(C)[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1cccs1 ZINC000563152565 459725478 /nfs/dbraw/zinc/72/54/78/459725478.db2.gz NVGGNWKVPXECCZ-OIPACUDHSA-N 2 1 349.544 3.011 20 0 EGADMP CC(C)(C)[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1cccs1 ZINC000563152565 459725484 /nfs/dbraw/zinc/72/54/84/459725484.db2.gz NVGGNWKVPXECCZ-OIPACUDHSA-N 2 1 349.544 3.011 20 0 EGADMP Cc1[nH+]cc(CNc2ccc(C[NH+]3CCSCC3)cc2C)n1C ZINC000584540945 459765551 /nfs/dbraw/zinc/76/55/51/459765551.db2.gz QUIKGDCAWNWMSA-UHFFFAOYSA-N 2 1 330.501 3.198 20 0 EGADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000574071357 459775929 /nfs/dbraw/zinc/77/59/29/459775929.db2.gz FICZVVKMTVGZHC-UXHICEINSA-N 2 1 348.531 3.287 20 0 EGADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000566005189 459792107 /nfs/dbraw/zinc/79/21/07/459792107.db2.gz WLWXPYMJGAQRFM-UYAOXDASSA-N 2 1 348.531 3.145 20 0 EGADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1C ZINC000566107865 459806477 /nfs/dbraw/zinc/80/64/77/459806477.db2.gz BIUANDSIMDTJJX-UXHICEINSA-N 2 1 348.531 3.062 20 0 EGADMP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc2ccccc2c1 ZINC000574630732 459844732 /nfs/dbraw/zinc/84/47/32/459844732.db2.gz QXFJUULCNFAYRV-AWEZNQCLSA-N 2 1 335.455 3.276 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCc2cncn2C)CC1 ZINC000566414847 459862733 /nfs/dbraw/zinc/86/27/33/459862733.db2.gz SGWNEUMBHQZGJR-GOSISDBHSA-N 2 1 332.536 3.329 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000566414847 459862739 /nfs/dbraw/zinc/86/27/39/459862739.db2.gz SGWNEUMBHQZGJR-GOSISDBHSA-N 3 1 332.536 3.329 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000566414847 459862743 /nfs/dbraw/zinc/86/27/43/459862743.db2.gz SGWNEUMBHQZGJR-GOSISDBHSA-N 3 1 332.536 3.329 20 0 EGADMP C[C@H](CCc1ccco1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000545948015 459876769 /nfs/dbraw/zinc/87/67/69/459876769.db2.gz VKPQKVSOGFZVOA-AEFFLSMTSA-N 2 1 347.528 3.241 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCCC(C)(C)C3)CC2)CC1 ZINC000575071092 459920281 /nfs/dbraw/zinc/92/02/81/459920281.db2.gz NXHIPGQDYJGLEB-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(OC)cc1 ZINC000588689932 459969534 /nfs/dbraw/zinc/96/95/34/459969534.db2.gz STHKATZFOXMSQH-TZIWHRDSSA-N 2 1 342.483 3.229 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(OC)cc1 ZINC000588689932 459969541 /nfs/dbraw/zinc/96/95/41/459969541.db2.gz STHKATZFOXMSQH-TZIWHRDSSA-N 2 1 342.483 3.229 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C(C)C)ccc3OC)C2)CC1 ZINC000593958956 460028063 /nfs/dbraw/zinc/02/80/63/460028063.db2.gz NENWERKJOSWVCG-HXUWFJFHSA-N 2 1 345.531 3.030 20 0 EGADMP C[NH+](C)[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000618669063 460120055 /nfs/dbraw/zinc/12/00/55/460120055.db2.gz DVPKFICTWKFNJL-UYAOXDASSA-N 2 1 343.515 3.203 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(CC[NH3+])CC2)cc1)C(C)C ZINC000576475804 460151013 /nfs/dbraw/zinc/15/10/13/460151013.db2.gz XEMYQJXCIGWZJA-UHFFFAOYSA-N 2 1 331.504 3.118 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000599100627 460162199 /nfs/dbraw/zinc/16/21/99/460162199.db2.gz LDPRYOKGTRCAGV-KRWDZBQOSA-N 2 1 331.504 3.108 20 0 EGADMP O[C@@H](Cc1cccc(Cl)c1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000576607771 460179250 /nfs/dbraw/zinc/17/92/50/460179250.db2.gz GOKKHYHGDDFTBI-MJGOQNOKSA-N 2 1 336.907 3.051 20 0 EGADMP COC(=O)CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000599402363 460247036 /nfs/dbraw/zinc/24/70/36/460247036.db2.gz ONJJRRXBNAXBRJ-SFHVURJKSA-N 2 1 332.488 3.220 20 0 EGADMP COC(=O)CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000599402363 460247039 /nfs/dbraw/zinc/24/70/39/460247039.db2.gz ONJJRRXBNAXBRJ-SFHVURJKSA-N 2 1 332.488 3.220 20 0 EGADMP COC(=O)CCCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000599405535 460248486 /nfs/dbraw/zinc/24/84/86/460248486.db2.gz YICUMTVFEAQOOA-MRXNPFEDSA-N 2 1 338.517 3.154 20 0 EGADMP COC(=O)CCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000599405535 460248491 /nfs/dbraw/zinc/24/84/91/460248491.db2.gz YICUMTVFEAQOOA-MRXNPFEDSA-N 2 1 338.517 3.154 20 0 EGADMP COC(=O)CCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000599405535 460248496 /nfs/dbraw/zinc/24/84/96/460248496.db2.gz YICUMTVFEAQOOA-MRXNPFEDSA-N 2 1 338.517 3.154 20 0 EGADMP CC(C)Oc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000603517259 460315135 /nfs/dbraw/zinc/31/51/35/460315135.db2.gz LMEZXGXCZFCRIQ-FQEVSTJZSA-N 2 1 332.488 3.207 20 0 EGADMP COC(=O)c1oc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1C ZINC000603658723 460331745 /nfs/dbraw/zinc/33/17/45/460331745.db2.gz UECVNJDWDSUSKT-UHFFFAOYSA-N 2 1 342.439 3.260 20 0 EGADMP CC[N@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061855 460358224 /nfs/dbraw/zinc/35/82/24/460358224.db2.gz XNPBLLFOWRROSH-UHFFFAOYSA-N 2 1 340.427 3.413 20 0 EGADMP CC[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061855 460358227 /nfs/dbraw/zinc/35/82/27/460358227.db2.gz XNPBLLFOWRROSH-UHFFFAOYSA-N 2 1 340.427 3.413 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1nc(N)c2ccccc2n1 ZINC000626063045 460359958 /nfs/dbraw/zinc/35/99/58/460359958.db2.gz PGZCOAYOOKEAGL-UHFFFAOYSA-N 2 1 349.482 3.126 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1nc(N)c2ccccc2n1 ZINC000626063045 460359960 /nfs/dbraw/zinc/35/99/60/460359960.db2.gz PGZCOAYOOKEAGL-UHFFFAOYSA-N 2 1 349.482 3.126 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000623086322 460406112 /nfs/dbraw/zinc/40/61/12/460406112.db2.gz JZUKEFRXNQDMDV-UHFFFAOYSA-N 2 1 337.471 3.236 20 0 EGADMP CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000604771069 460477791 /nfs/dbraw/zinc/47/77/91/460477791.db2.gz TYWRQBIETBUCSF-MRXNPFEDSA-N 2 1 337.556 3.066 20 0 EGADMP CC[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000634717514 460490242 /nfs/dbraw/zinc/49/02/42/460490242.db2.gz MSEJLSRMJUNLPQ-WBVHZDCISA-N 2 1 344.421 3.192 20 0 EGADMP CC[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000634717514 460490247 /nfs/dbraw/zinc/49/02/47/460490247.db2.gz MSEJLSRMJUNLPQ-WBVHZDCISA-N 2 1 344.421 3.192 20 0 EGADMP CCn1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631667540 460501234 /nfs/dbraw/zinc/50/12/34/460501234.db2.gz QAYUAEUBKMHLNE-LNLFQRSKSA-N 2 1 326.488 3.322 20 0 EGADMP Cc1csc([C@@H](C)[NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)n1 ZINC000623935645 460787113 /nfs/dbraw/zinc/78/71/13/460787113.db2.gz LDJKGTYEOJMQPT-HIFRSBDPSA-N 2 1 331.489 3.178 20 0 EGADMP Fc1ccccc1-c1nc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)co1 ZINC000629533181 460799042 /nfs/dbraw/zinc/79/90/42/460799042.db2.gz MFEQSRNQOURIIF-CABCVRRESA-N 2 1 329.419 3.302 20 0 EGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000629535009 460799592 /nfs/dbraw/zinc/79/95/92/460799592.db2.gz BVYZRYOOKOHTPB-BBTUJRGHSA-N 2 1 345.531 3.486 20 0 EGADMP CC(C)Oc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629560559 460809018 /nfs/dbraw/zinc/80/90/18/460809018.db2.gz FRRJMWULNHVPFH-ZBFHGGJFSA-N 2 1 330.394 3.433 20 0 EGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629560559 460809026 /nfs/dbraw/zinc/80/90/26/460809026.db2.gz FRRJMWULNHVPFH-ZBFHGGJFSA-N 2 1 330.394 3.433 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000617341335 460817381 /nfs/dbraw/zinc/81/73/81/460817381.db2.gz OJFPEEJOJYELRZ-LJQANCHMSA-N 2 1 343.515 3.275 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(C)cn2)[C@@H](C)C1 ZINC000624112748 460865355 /nfs/dbraw/zinc/86/53/55/460865355.db2.gz KCEFDTJFSWJUHW-OALUTQOASA-N 2 1 347.547 3.394 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCCC[NH+](C)C1 ZINC000624121123 460871364 /nfs/dbraw/zinc/87/13/64/460871364.db2.gz OORMREBVQNJWIP-HLAWJBBLSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624121123 460871371 /nfs/dbraw/zinc/87/13/71/460871371.db2.gz OORMREBVQNJWIP-HLAWJBBLSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121123 460871378 /nfs/dbraw/zinc/87/13/78/460871378.db2.gz OORMREBVQNJWIP-HLAWJBBLSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCC[NH+](C)C1 ZINC000624121123 460871386 /nfs/dbraw/zinc/87/13/86/460871386.db2.gz OORMREBVQNJWIP-HLAWJBBLSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCC[NH+](C)C1 ZINC000624121123 460871394 /nfs/dbraw/zinc/87/13/94/460871394.db2.gz OORMREBVQNJWIP-HLAWJBBLSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121123 460871400 /nfs/dbraw/zinc/87/14/00/460871400.db2.gz OORMREBVQNJWIP-HLAWJBBLSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121123 460871406 /nfs/dbraw/zinc/87/14/06/460871406.db2.gz OORMREBVQNJWIP-HLAWJBBLSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000624120502 460871514 /nfs/dbraw/zinc/87/15/14/460871514.db2.gz AOQKEWYJTNMLNE-HKUYNNGSSA-N 2 1 326.488 3.314 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000624120502 460871515 /nfs/dbraw/zinc/87/15/15/460871515.db2.gz AOQKEWYJTNMLNE-HKUYNNGSSA-N 2 1 326.488 3.314 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000635734161 460902288 /nfs/dbraw/zinc/90/22/88/460902288.db2.gz VSASKGYQRKJQKN-UHFFFAOYSA-N 2 1 342.487 3.033 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000635734161 460902297 /nfs/dbraw/zinc/90/22/97/460902297.db2.gz VSASKGYQRKJQKN-UHFFFAOYSA-N 2 1 342.487 3.033 20 0 EGADMP CC[NH+](CC)CCCC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000635789436 460924807 /nfs/dbraw/zinc/92/48/07/460924807.db2.gz LRBNGOLLISMVFR-UHFFFAOYSA-N 2 1 348.535 3.367 20 0 EGADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C)[NH+](C)C ZINC000635847676 460947754 /nfs/dbraw/zinc/94/77/54/460947754.db2.gz AFSSVHBTKRAYHT-QFBILLFUSA-N 2 1 342.487 3.123 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000635996229 461001421 /nfs/dbraw/zinc/00/14/21/461001421.db2.gz CMFCFAAQQNERLV-QGZVFWFLSA-N 2 1 326.444 3.194 20 0 EGADMP C[C@@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000624579321 461058746 /nfs/dbraw/zinc/05/87/46/461058746.db2.gz DXNAYTMYAINURA-OTWHNJEPSA-N 2 1 349.563 3.362 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3nc4ccccc4s3)C2)C1 ZINC000652349553 461141612 /nfs/dbraw/zinc/14/16/12/461141612.db2.gz SKRHYPWTHALDMI-IIAWOOMASA-N 2 1 331.485 3.015 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ncc(Cl)cc3Cl)C2)C1 ZINC000652349565 461144817 /nfs/dbraw/zinc/14/48/17/461144817.db2.gz SRPKXEGPHGNICQ-KFNAQCHYSA-N 2 1 344.286 3.107 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ncc(Cl)cc3Cl)C2)C1 ZINC000652349565 461144825 /nfs/dbraw/zinc/14/48/25/461144825.db2.gz SRPKXEGPHGNICQ-KFNAQCHYSA-N 2 1 344.286 3.107 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCc2nc(-c3ccccc3)no2)[C@@H]1CC[NH3+] ZINC000652354183 461149337 /nfs/dbraw/zinc/14/93/37/461149337.db2.gz PEQKABXQMRMPCR-DOTOQJQBSA-N 2 1 328.460 3.119 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)[C@H]1CC[NH3+] ZINC000652354573 461151371 /nfs/dbraw/zinc/15/13/71/461151371.db2.gz CAMWJZXREXRIAX-XLIONFOSSA-N 2 1 343.515 3.262 20 0 EGADMP Fc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000662272336 461159412 /nfs/dbraw/zinc/15/94/12/461159412.db2.gz DWTJIHADHPFPEL-QWHCGFSZSA-N 2 1 328.378 3.249 20 0 EGADMP c1cc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)cs1 ZINC000662291033 461167075 /nfs/dbraw/zinc/16/70/75/461167075.db2.gz NIPWPSOGLBLMDK-CQSZACIVSA-N 2 1 332.473 3.010 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN([C@H](c2nccn2C)C2CC2)C1 ZINC000637980732 461168821 /nfs/dbraw/zinc/16/88/21/461168821.db2.gz ZVJWXQDNHZFNQK-AOIWGVFYSA-N 2 1 330.520 3.458 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1C ZINC000662294556 461173326 /nfs/dbraw/zinc/17/33/26/461173326.db2.gz QUJGXGDBHBUAJS-HKUYNNGSSA-N 2 1 343.515 3.342 20 0 EGADMP Cc1cccc(-c2noc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662298341 461174697 /nfs/dbraw/zinc/17/46/97/461174697.db2.gz VPNMIJISAYZABB-GOSISDBHSA-N 2 1 340.471 3.257 20 0 EGADMP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298353 461175806 /nfs/dbraw/zinc/17/58/06/461175806.db2.gz VRYLONVPYQWWPD-GDBMZVCRSA-N 2 1 340.471 3.108 20 0 EGADMP CC[C@H](OCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000649566128 461179715 /nfs/dbraw/zinc/17/97/15/461179715.db2.gz CSLOTPKXYNZFBC-IVAOSVALSA-N 2 1 346.515 3.338 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCc2cncc(C)n2)CC1)CC1CC1 ZINC000649572570 461184120 /nfs/dbraw/zinc/18/41/20/461184120.db2.gz ABNMBJNDDRWVRJ-UHFFFAOYSA-N 2 1 330.520 3.162 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)[C@@H]1CCC[NH3+] ZINC000662315441 461187970 /nfs/dbraw/zinc/18/79/70/461187970.db2.gz SORIEFTXTDDTRM-RDTXWAMCSA-N 2 1 347.894 3.260 20 0 EGADMP CC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000638079404 461228830 /nfs/dbraw/zinc/22/88/30/461228830.db2.gz CTVOGIJRPGPTLX-INIZCTEOSA-N 2 1 331.504 3.065 20 0 EGADMP CC[C@@H]([NH2+]C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000662400000 461232489 /nfs/dbraw/zinc/23/24/89/461232489.db2.gz YCDXQUMODWDSBB-LJQANCHMSA-N 2 1 331.504 3.065 20 0 EGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)c2C1 ZINC000655446783 461254920 /nfs/dbraw/zinc/25/49/20/461254920.db2.gz APKYGPIQYKGSCN-WIYYLYMNSA-N 2 1 341.499 3.377 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000638135007 461264422 /nfs/dbraw/zinc/26/44/22/461264422.db2.gz RBJPCLDJPAZIJP-GOSISDBHSA-N 2 1 327.472 3.168 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)c2cccc3c2C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000662492600 461268175 /nfs/dbraw/zinc/26/81/75/461268175.db2.gz MNPBCXHUDMCXEF-LPHOPBHVSA-N 2 1 349.478 3.073 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000662497251 461270873 /nfs/dbraw/zinc/27/08/73/461270873.db2.gz HABRPPVOUCVXQR-BSIFCXSSSA-N 2 1 349.478 3.000 20 0 EGADMP C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000649782713 461349827 /nfs/dbraw/zinc/34/98/27/461349827.db2.gz QIYMIAMFBYFUBY-NJAFHUGGSA-N 2 1 346.519 3.322 20 0 EGADMP CC[NH+]1CCC(N[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638292061 461350035 /nfs/dbraw/zinc/35/00/35/461350035.db2.gz UESMVWCHWJKXOD-PZJWPPBQSA-N 2 1 327.516 3.428 20 0 EGADMP Cc1ccc(SCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655683020 461359966 /nfs/dbraw/zinc/35/99/66/461359966.db2.gz OMEAZEVKWWTFNG-SFHVURJKSA-N 2 1 334.529 3.320 20 0 EGADMP FC(F)(F)c1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655690262 461364340 /nfs/dbraw/zinc/36/43/40/461364340.db2.gz KAAJXWBMROHWML-QGZVFWFLSA-N 2 1 342.405 3.091 20 0 EGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662745548 461364488 /nfs/dbraw/zinc/36/44/88/461364488.db2.gz NOOPOQOMRAJRKN-OALUTQOASA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655696645 461369326 /nfs/dbraw/zinc/36/93/26/461369326.db2.gz IEOJOODCEQVSCJ-SFHVURJKSA-N 2 1 336.907 3.461 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1cccc2ccccc21 ZINC000641809998 461383123 /nfs/dbraw/zinc/38/31/23/461383123.db2.gz ZJZDSTJPKSMDHA-YXUGBTPSSA-N 2 1 339.483 3.121 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000641806985 461383225 /nfs/dbraw/zinc/38/32/25/461383225.db2.gz TUJQQVPEWAWKLU-KYNGSXCRSA-N 2 1 337.467 3.396 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662825285 461384669 /nfs/dbraw/zinc/38/46/69/461384669.db2.gz HXXOSDHLQPAGBT-KRWDZBQOSA-N 2 1 347.547 3.151 20 0 EGADMP CO[C@H](C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@@H]1CCOC1 ZINC000638362981 461387967 /nfs/dbraw/zinc/38/79/67/461387967.db2.gz HSHMGVCZWRSLCN-DUXKGJEZSA-N 2 1 346.515 3.202 20 0 EGADMP c1ccc2c(c1)CC(CC[NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000655735944 461404004 /nfs/dbraw/zinc/40/40/04/461404004.db2.gz ABTCHADKUXOCLH-NRFANRHFSA-N 2 1 328.500 3.025 20 0 EGADMP CC(C)(C)OC1CC(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655759148 461424191 /nfs/dbraw/zinc/42/41/91/461424191.db2.gz JMKKZDBFTAVKDG-CUYAVPTFSA-N 2 1 338.536 3.203 20 0 EGADMP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC000655764395 461430362 /nfs/dbraw/zinc/43/03/62/461430362.db2.gz GLEOGZHYNMEBTQ-AZUAARDMSA-N 2 1 332.463 3.436 20 0 EGADMP Nc1c(F)cccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000638448499 461432801 /nfs/dbraw/zinc/43/28/01/461432801.db2.gz DKPWNPXZIMUCLP-KRWDZBQOSA-N 2 1 327.447 3.410 20 0 EGADMP COc1cccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)c1 ZINC000655774072 461438329 /nfs/dbraw/zinc/43/83/29/461438329.db2.gz PDMGMDGMKIFNRR-YFVAEKQCSA-N 2 1 344.499 3.174 20 0 EGADMP CC(C)CCOc1ccccc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638478517 461448201 /nfs/dbraw/zinc/44/82/01/461448201.db2.gz CREGRHUUHNRASD-UHFFFAOYSA-N 2 1 348.531 3.436 20 0 EGADMP CC[C@H](C)[C@H](C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)OC ZINC000638524800 461467417 /nfs/dbraw/zinc/46/74/17/461467417.db2.gz RQLSFZJZBSVGTL-KSSFIOAISA-N 2 1 337.508 3.154 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000659875859 461475948 /nfs/dbraw/zinc/47/59/48/461475948.db2.gz QNBYXTWNUNMTGC-FQEVSTJZSA-N 2 1 346.515 3.067 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000659875859 461475954 /nfs/dbraw/zinc/47/59/54/461475954.db2.gz QNBYXTWNUNMTGC-FQEVSTJZSA-N 2 1 346.515 3.067 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000659875859 461475958 /nfs/dbraw/zinc/47/59/58/461475958.db2.gz QNBYXTWNUNMTGC-FQEVSTJZSA-N 2 1 346.515 3.067 20 0 EGADMP C[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655840469 461488907 /nfs/dbraw/zinc/48/89/07/461488907.db2.gz VNHMGPUCMXQCGO-MWRLGJARSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655840469 461488917 /nfs/dbraw/zinc/48/89/17/461488917.db2.gz VNHMGPUCMXQCGO-MWRLGJARSA-N 2 1 336.479 3.145 20 0 EGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccns2)CC1 ZINC000638568598 461489028 /nfs/dbraw/zinc/48/90/28/461489028.db2.gz SCVXOFZIXMCEDD-CQSZACIVSA-N 2 1 348.491 3.275 20 0 EGADMP Cc1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000642341690 461500999 /nfs/dbraw/zinc/50/09/99/461500999.db2.gz KHRBYMVRIFKJNN-QFIPXVFZSA-N 2 1 337.511 3.463 20 0 EGADMP CO[C@@H](C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CCOCC1 ZINC000638612063 461505536 /nfs/dbraw/zinc/50/55/36/461505536.db2.gz LUJGPKAWRRFYME-UWJYYQICSA-N 2 1 346.515 3.243 20 0 EGADMP COCCc1ncc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)s1 ZINC000631052560 461506176 /nfs/dbraw/zinc/50/61/76/461506176.db2.gz OCSWBEURKXGIJJ-UHFFFAOYSA-N 2 1 347.528 3.462 20 0 EGADMP C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642713075 461559554 /nfs/dbraw/zinc/55/95/54/461559554.db2.gz GPQQXKCRPBWRSQ-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP c1cc2c(cc1C[NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)OCCCCO2 ZINC000663344011 461571454 /nfs/dbraw/zinc/57/14/54/461571454.db2.gz LYSASFDWCPYDJA-LJQANCHMSA-N 2 1 344.499 3.450 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000663357725 461586354 /nfs/dbraw/zinc/58/63/54/461586354.db2.gz WEOLZNCTEGDXOI-GOSISDBHSA-N 2 1 331.504 3.284 20 0 EGADMP CO[C@@H](C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)C1CCOCC1 ZINC000638853517 461619222 /nfs/dbraw/zinc/61/92/22/461619222.db2.gz ICTDMXCCUCFVJG-FQEVSTJZSA-N 2 1 334.504 3.058 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000631193814 461631821 /nfs/dbraw/zinc/63/18/21/461631821.db2.gz GEFOVVGAASVUJN-OXQOHEQNSA-N 2 1 336.483 3.212 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000631193814 461631826 /nfs/dbraw/zinc/63/18/26/461631826.db2.gz GEFOVVGAASVUJN-OXQOHEQNSA-N 2 1 336.483 3.212 20 0 EGADMP C[C@@H]1CC[N@@H+](CCN[C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638873983 461634118 /nfs/dbraw/zinc/63/41/18/461634118.db2.gz OJZUWINAEFDBHG-SLYNCCJLSA-N 2 1 327.516 3.286 20 0 EGADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638873983 461634126 /nfs/dbraw/zinc/63/41/26/461634126.db2.gz OJZUWINAEFDBHG-SLYNCCJLSA-N 2 1 327.516 3.286 20 0 EGADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638873983 461634137 /nfs/dbraw/zinc/63/41/37/461634137.db2.gz OJZUWINAEFDBHG-SLYNCCJLSA-N 2 1 327.516 3.286 20 0 EGADMP CCn1nc(C)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000631196204 461636590 /nfs/dbraw/zinc/63/65/90/461636590.db2.gz OSIZBAFOJSAERU-OXQOHEQNSA-N 2 1 340.515 3.378 20 0 EGADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471832 461662435 /nfs/dbraw/zinc/66/24/35/461662435.db2.gz YOVRKMBZQBHLEV-NVXWUHKLSA-N 2 1 347.478 3.254 20 0 EGADMP COc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)ccc1OC(F)F ZINC000647482924 461730921 /nfs/dbraw/zinc/73/09/21/461730921.db2.gz KBPSJAKQZJXDCB-UHFFFAOYSA-N 2 1 326.387 3.013 20 0 EGADMP COc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccc1OC(F)F ZINC000647482924 461730929 /nfs/dbraw/zinc/73/09/29/461730929.db2.gz KBPSJAKQZJXDCB-UHFFFAOYSA-N 2 1 326.387 3.013 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)CC[C@H]1[NH3+] ZINC000647498617 461737069 /nfs/dbraw/zinc/73/70/69/461737069.db2.gz LEHZFYNAVSHAEX-RHSMWYFYSA-N 2 1 338.455 3.393 20 0 EGADMP Cc1ccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c(N2CCCC2)n1 ZINC000643471276 461739410 /nfs/dbraw/zinc/73/94/10/461739410.db2.gz MGQBNCKIKVPRBU-PKOBYXMFSA-N 2 1 330.520 3.391 20 0 EGADMP COCCCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543382 461756100 /nfs/dbraw/zinc/75/61/00/461756100.db2.gz MDDMGTCGGQBEDY-UXHICEINSA-N 2 1 346.515 3.314 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H]2COc3cc(F)c(Br)cc32)CC[N@H+]1C ZINC000639140430 461757471 /nfs/dbraw/zinc/75/74/71/461757471.db2.gz XNIMISHIYRJKQP-BFVZDQMLSA-N 2 1 343.240 3.094 20 0 EGADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647542806 461757771 /nfs/dbraw/zinc/75/77/71/461757771.db2.gz CAIOMMZWSAYJIF-OALUTQOASA-N 2 1 330.520 3.138 20 0 EGADMP Fc1ccc(-n2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC000647542980 461757851 /nfs/dbraw/zinc/75/78/51/461757851.db2.gz FNODBJNBGBAGOU-ZWKOTPCHSA-N 2 1 342.462 3.223 20 0 EGADMP Clc1ccc2ncc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543661 461760254 /nfs/dbraw/zinc/76/02/54/461760254.db2.gz QYDICFSGNWZTKV-CABCVRRESA-N 2 1 332.879 3.199 20 0 EGADMP CC1(c2ccccc2)CC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000656499731 461767878 /nfs/dbraw/zinc/76/78/78/461767878.db2.gz ZRIDZQVXUBHULU-KBWCOIMZSA-N 2 1 328.500 3.340 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)CC1 ZINC000669692208 461769125 /nfs/dbraw/zinc/76/91/25/461769125.db2.gz GYMDLUZWMLMGEX-HOTGVXAUSA-N 2 1 335.458 3.065 20 0 EGADMP COc1cc(C)c([C@@H](C)[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1C ZINC000639169658 461778151 /nfs/dbraw/zinc/77/81/51/461778151.db2.gz ICSGFJKQKXIHJR-GOSISDBHSA-N 2 1 347.547 3.331 20 0 EGADMP CO[C@H](Cc1ccccc1)CN(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000639178273 461785967 /nfs/dbraw/zinc/78/59/67/461785967.db2.gz GXVNHOXXYWYKDA-OAQYLSRUSA-N 2 1 342.483 3.434 20 0 EGADMP C[N@@H+](Cc1ccc(C2CC2)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000656617980 461808475 /nfs/dbraw/zinc/80/84/75/461808475.db2.gz WYAJXOPGZOZTPI-NRFANRHFSA-N 2 1 327.516 3.164 20 0 EGADMP CNC(=O)C[C@H](C)[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000639248423 461825599 /nfs/dbraw/zinc/82/55/99/461825599.db2.gz YIUGXWLGNYQEIE-UWJYYQICSA-N 2 1 345.531 3.039 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000647794210 461838557 /nfs/dbraw/zinc/83/85/57/461838557.db2.gz UNCDDEBXWGUHRP-KMKNWIINSA-N 3 1 341.543 3.265 20 0 EGADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647873403 461866787 /nfs/dbraw/zinc/86/67/87/461866787.db2.gz FWPNRPSGXYQQCO-MRXNPFEDSA-N 2 1 327.476 3.040 20 0 EGADMP COc1ccc(C[NH+](Cc2ccc(OC)cc2)C[C@@H]2CC[NH2+]C2)cc1 ZINC000647884508 461869918 /nfs/dbraw/zinc/86/99/18/461869918.db2.gz XHEVXDWWRLJALV-LJQANCHMSA-N 2 1 340.467 3.316 20 0 EGADMP CO[C@@](C)(C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1)C1CC1 ZINC000647912361 461882032 /nfs/dbraw/zinc/88/20/32/461882032.db2.gz FXNOPMSLIJODRK-PMACEKPBSA-N 2 1 331.504 3.183 20 0 EGADMP CO[C@@](C)(C[N@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1)C1CC1 ZINC000647912361 461882037 /nfs/dbraw/zinc/88/20/37/461882037.db2.gz FXNOPMSLIJODRK-PMACEKPBSA-N 2 1 331.504 3.183 20 0 EGADMP CO[C@@](C)(C[NH+]1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1)C1CC1 ZINC000647912361 461882041 /nfs/dbraw/zinc/88/20/41/461882041.db2.gz FXNOPMSLIJODRK-PMACEKPBSA-N 2 1 331.504 3.183 20 0 EGADMP CO[C@@](C)(C[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1)C1CC1 ZINC000647912361 461882044 /nfs/dbraw/zinc/88/20/44/461882044.db2.gz FXNOPMSLIJODRK-PMACEKPBSA-N 2 1 331.504 3.183 20 0 EGADMP COc1ncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000639360261 461884353 /nfs/dbraw/zinc/88/43/53/461884353.db2.gz UHLDOVNMMSPIQW-ZBFHGGJFSA-N 2 1 331.485 3.009 20 0 EGADMP COc1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000639360261 461884356 /nfs/dbraw/zinc/88/43/56/461884356.db2.gz UHLDOVNMMSPIQW-ZBFHGGJFSA-N 2 1 331.485 3.009 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)s2)cn1 ZINC000656783334 461892513 /nfs/dbraw/zinc/89/25/13/461892513.db2.gz PLHNHDZMQIDIJS-INIZCTEOSA-N 2 1 344.528 3.360 20 0 EGADMP c1cc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000656782415 461892931 /nfs/dbraw/zinc/89/29/31/461892931.db2.gz GJOBDKXHBPRFAJ-OAHLLOKOSA-N 2 1 330.501 3.350 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccc(OC(F)F)c3)C2)C1 ZINC000650706814 461899702 /nfs/dbraw/zinc/89/97/02/461899702.db2.gz SXMNVZVPWDEKHM-INMHGKMJSA-N 2 1 340.414 3.006 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000660655261 461906253 /nfs/dbraw/zinc/90/62/53/461906253.db2.gz LLKGPVKDCLJEPV-RXVVDRJESA-N 2 1 343.515 3.357 20 0 EGADMP C[N@H+]1CC[C@@]2(C1)CCCN(CCOc1ccc(Cl)c(F)c1)C2 ZINC000660665692 461913931 /nfs/dbraw/zinc/91/39/31/461913931.db2.gz XHNKXXVUENYSMI-QGZVFWFLSA-N 2 1 326.843 3.276 20 0 EGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccc(Cl)c(F)c1)C2 ZINC000660665692 461913937 /nfs/dbraw/zinc/91/39/37/461913937.db2.gz XHNKXXVUENYSMI-QGZVFWFLSA-N 2 1 326.843 3.276 20 0 EGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccc(Cl)c(F)c1)C2 ZINC000660665692 461913947 /nfs/dbraw/zinc/91/39/47/461913947.db2.gz XHNKXXVUENYSMI-QGZVFWFLSA-N 2 1 326.843 3.276 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOc1ccc(Cl)c(F)c1)C2 ZINC000660665692 461913953 /nfs/dbraw/zinc/91/39/53/461913953.db2.gz XHNKXXVUENYSMI-QGZVFWFLSA-N 2 1 326.843 3.276 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccc(Cl)c(F)c1)C2 ZINC000660665692 461913958 /nfs/dbraw/zinc/91/39/58/461913958.db2.gz XHNKXXVUENYSMI-QGZVFWFLSA-N 2 1 326.843 3.276 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc3ncccc3c2)C1 ZINC000650722579 461914560 /nfs/dbraw/zinc/91/45/60/461914560.db2.gz XGDRKFLLYVDLLQ-HOJAQTOUSA-N 2 1 325.456 3.096 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1Cl ZINC000650722759 461914646 /nfs/dbraw/zinc/91/46/46/461914646.db2.gz AOLQWCPVMHQNEI-LESCRADOSA-N 2 1 338.879 3.209 20 0 EGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723215 461914954 /nfs/dbraw/zinc/91/49/54/461914954.db2.gz JGWILRXXJJGBPT-UHOSZYNNSA-N 2 1 348.535 3.116 20 0 EGADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647974969 461917235 /nfs/dbraw/zinc/91/72/35/461917235.db2.gz DRDZJZMQNOKIGO-PMPSAXMXSA-N 2 1 349.906 3.379 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000647974983 461917454 /nfs/dbraw/zinc/91/74/54/461917454.db2.gz FBOKLYVKQPTYMK-HZPDHXFCSA-N 2 1 349.906 3.299 20 0 EGADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000647974983 461917460 /nfs/dbraw/zinc/91/74/60/461917460.db2.gz FBOKLYVKQPTYMK-HZPDHXFCSA-N 2 1 349.906 3.299 20 0 EGADMP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977683 461918220 /nfs/dbraw/zinc/91/82/20/461918220.db2.gz GBCNULLZDLEVFS-IRXDYDNUSA-N 2 1 339.483 3.371 20 0 EGADMP Cc1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647976192 461918470 /nfs/dbraw/zinc/91/84/70/461918470.db2.gz LHMSUHLERYDJHU-ZWKOTPCHSA-N 2 1 340.471 3.257 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000647976624 461919241 /nfs/dbraw/zinc/91/92/41/461919241.db2.gz RFQPPESCWCSKCH-GBESFXJTSA-N 2 1 343.515 3.342 20 0 EGADMP Cc1cccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647978276 461921226 /nfs/dbraw/zinc/92/12/26/461921226.db2.gz PGVWYYALQCHHPO-MSOLQXFVSA-N 2 1 340.471 3.257 20 0 EGADMP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000660692887 461927581 /nfs/dbraw/zinc/92/75/81/461927581.db2.gz SMNLILAFMVGOIH-UHFFFAOYSA-N 2 1 326.484 3.412 20 0 EGADMP CSc1cccc(F)c1CNC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644644730 462020271 /nfs/dbraw/zinc/02/02/71/462020271.db2.gz UTYNKOYWBUYOGL-INIZCTEOSA-N 2 1 348.487 3.130 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000657293706 462023300 /nfs/dbraw/zinc/02/33/00/462023300.db2.gz UBAQNNVICURQQG-ZWKOTPCHSA-N 2 1 334.504 3.454 20 0 EGADMP O=c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc[nH]1 ZINC000639655840 462043075 /nfs/dbraw/zinc/04/30/75/462043075.db2.gz OMEGXYHIGYTKIB-UHFFFAOYSA-N 2 1 337.467 3.275 20 0 EGADMP Cc1c(Br)cncc1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000657348339 462062203 /nfs/dbraw/zinc/06/22/03/462062203.db2.gz SEEVQRKMQKVXGX-AWEZNQCLSA-N 2 1 340.309 3.363 20 0 EGADMP Cc1c(Br)cncc1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000657348339 462062205 /nfs/dbraw/zinc/06/22/05/462062205.db2.gz SEEVQRKMQKVXGX-AWEZNQCLSA-N 2 1 340.309 3.363 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(COC)cs2)[C@@H](C)C1 ZINC000657363770 462073516 /nfs/dbraw/zinc/07/35/16/462073516.db2.gz RULDOXIOHNCCKS-MAUKXSAKSA-N 2 1 340.533 3.121 20 0 EGADMP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000651130776 462099386 /nfs/dbraw/zinc/09/93/86/462099386.db2.gz MZBHOOXAPKWODP-PGRDOPGGSA-N 2 1 338.495 3.405 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657412759 462106102 /nfs/dbraw/zinc/10/61/02/462106102.db2.gz DSCWPWIKAQVKAR-FPOVZHCZSA-N 2 1 346.515 3.312 20 0 EGADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1C ZINC000657432068 462119478 /nfs/dbraw/zinc/11/94/78/462119478.db2.gz NSZAESPXXFSUMK-HMXCVIKNSA-N 2 1 338.499 3.119 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000667533969 462130895 /nfs/dbraw/zinc/13/08/95/462130895.db2.gz HUZMCWAFFNQOBB-HXUWFJFHSA-N 2 1 332.488 3.161 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000667533969 462130899 /nfs/dbraw/zinc/13/08/99/462130899.db2.gz HUZMCWAFFNQOBB-HXUWFJFHSA-N 2 1 332.488 3.161 20 0 EGADMP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000651210960 462135278 /nfs/dbraw/zinc/13/52/78/462135278.db2.gz JEERRAVJHALZLP-ICSRJNTNSA-N 2 1 346.515 3.072 20 0 EGADMP CCc1cccc2cc(C[NH+]3CCN([C@@H]4CCC[N@H+](C)C4)CC3)oc21 ZINC000667614968 462175134 /nfs/dbraw/zinc/17/51/34/462175134.db2.gz CMZXOECGBCOUJN-LJQANCHMSA-N 2 1 341.499 3.207 20 0 EGADMP CCc1cccc2cc(C[NH+]3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)oc21 ZINC000667614968 462175139 /nfs/dbraw/zinc/17/51/39/462175139.db2.gz CMZXOECGBCOUJN-LJQANCHMSA-N 2 1 341.499 3.207 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC2(CCSCC2)CC1 ZINC000639980462 462202178 /nfs/dbraw/zinc/20/21/78/462202178.db2.gz YRZIMJXLPQLQPG-IBGZPJMESA-N 2 1 348.556 3.089 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC2(CCSCC2)CC1 ZINC000639980462 462202186 /nfs/dbraw/zinc/20/21/86/462202186.db2.gz YRZIMJXLPQLQPG-IBGZPJMESA-N 2 1 348.556 3.089 20 0 EGADMP CCCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000657750481 462252237 /nfs/dbraw/zinc/25/22/37/462252237.db2.gz CMSRTGWLDUJOMZ-LJQANCHMSA-N 2 1 332.488 3.208 20 0 EGADMP COc1cc(OC)c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1F ZINC000651621193 462280121 /nfs/dbraw/zinc/28/01/21/462280121.db2.gz GYIZDZVBBIEPAO-UHFFFAOYSA-N 2 1 338.467 3.395 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000651686064 462303796 /nfs/dbraw/zinc/30/37/96/462303796.db2.gz OXCIUBFYIVAGGD-GOSISDBHSA-N 2 1 326.488 3.311 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000651686064 462303800 /nfs/dbraw/zinc/30/38/00/462303800.db2.gz OXCIUBFYIVAGGD-GOSISDBHSA-N 2 1 326.488 3.311 20 0 EGADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000657882018 462306777 /nfs/dbraw/zinc/30/67/77/462306777.db2.gz WGWUQESVQAULEB-RTBURBONSA-N 2 1 338.923 3.488 20 0 EGADMP COC[C@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648856783 462307015 /nfs/dbraw/zinc/30/70/15/462307015.db2.gz JDQXCSSFSCRVNZ-LJQANCHMSA-N 2 1 332.488 3.162 20 0 EGADMP COc1ccc(-c2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)on2)cc1 ZINC000665262205 462375445 /nfs/dbraw/zinc/37/54/45/462375445.db2.gz WBUJNFDKIRSYLU-GUDVDZBRSA-N 2 1 341.455 3.361 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@H]1CCN(C2CCCCC2)C1=O ZINC000640534575 462433194 /nfs/dbraw/zinc/43/31/94/462433194.db2.gz QABYXBPDYGDDCB-IBGZPJMESA-N 2 1 335.536 3.118 20 0 EGADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000649243538 462452987 /nfs/dbraw/zinc/45/29/87/462452987.db2.gz MFNVQQQFZDMHSV-VQTJNVASSA-N 2 1 341.499 3.086 20 0 EGADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000649243538 462452992 /nfs/dbraw/zinc/45/29/92/462452992.db2.gz MFNVQQQFZDMHSV-VQTJNVASSA-N 2 1 341.499 3.086 20 0 EGADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000649243538 462452996 /nfs/dbraw/zinc/45/29/96/462452996.db2.gz MFNVQQQFZDMHSV-VQTJNVASSA-N 2 1 341.499 3.086 20 0 EGADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000649243538 462453002 /nfs/dbraw/zinc/45/30/02/462453002.db2.gz MFNVQQQFZDMHSV-VQTJNVASSA-N 2 1 341.499 3.086 20 0 EGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(OC)c(OC)c(OC)c1 ZINC000652204900 462471918 /nfs/dbraw/zinc/47/19/18/462471918.db2.gz GPOVEUPLYQTMRX-NPYXIHBLSA-N 2 1 348.487 3.378 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000178701976 533798246 /nfs/dbraw/zinc/79/82/46/533798246.db2.gz VUAIDQLFIZRNBF-GJZGRUSLSA-N 2 1 331.460 3.066 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1 ZINC000174344239 534190559 /nfs/dbraw/zinc/19/05/59/534190559.db2.gz ISDMWODFKGHLJF-IEBWSBKVSA-N 2 1 346.515 3.454 20 0 EGADMP C[N@@H+](Cc1ccc(F)c(Br)c1)C[C@H]1CCC[NH+](C)C1 ZINC000351587852 536470229 /nfs/dbraw/zinc/47/02/29/536470229.db2.gz BYUFSEHWMVDPTI-ZDUSSCGKSA-N 2 1 329.257 3.362 20 0 EGADMP C[N@H+](Cc1ccc(F)c(Br)c1)C[C@H]1CCC[NH+](C)C1 ZINC000351587852 536470233 /nfs/dbraw/zinc/47/02/33/536470233.db2.gz BYUFSEHWMVDPTI-ZDUSSCGKSA-N 2 1 329.257 3.362 20 0 EGADMP C[NH+](Cc1ccc(F)c(Br)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000351587852 536470235 /nfs/dbraw/zinc/47/02/35/536470235.db2.gz BYUFSEHWMVDPTI-ZDUSSCGKSA-N 2 1 329.257 3.362 20 0 EGADMP C[NH+](Cc1ccc(F)c(Br)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000351587852 536470237 /nfs/dbraw/zinc/47/02/37/536470237.db2.gz BYUFSEHWMVDPTI-ZDUSSCGKSA-N 2 1 329.257 3.362 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192682683 535553843 /nfs/dbraw/zinc/55/38/43/535553843.db2.gz MIPBOXWIUUPJND-IHWFROFDSA-N 3 1 345.531 3.122 20 0 EGADMP CC[NH+](CC)CCOc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000192682683 535553848 /nfs/dbraw/zinc/55/38/48/535553848.db2.gz MIPBOXWIUUPJND-IHWFROFDSA-N 2 1 345.531 3.122 20 0 EGADMP CC[NH+](CC)CCOc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192682683 535553858 /nfs/dbraw/zinc/55/38/58/535553858.db2.gz MIPBOXWIUUPJND-IHWFROFDSA-N 2 1 345.531 3.122 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000344849853 535594021 /nfs/dbraw/zinc/59/40/21/535594021.db2.gz VNMISSSHMXWFIL-IEBWSBKVSA-N 2 1 341.503 3.462 20 0 EGADMP CCc1cccc(CC)c1NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357068149 535878895 /nfs/dbraw/zinc/87/88/95/535878895.db2.gz DIWSNORVFISVGX-IBGZPJMESA-N 2 1 343.515 3.071 20 0 EGADMP CCn1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350513374 536052799 /nfs/dbraw/zinc/05/27/99/536052799.db2.gz PFJIZCMIKSKGPX-WOJBJXKFSA-N 2 1 326.488 3.075 20 0 EGADMP COC(=O)c1cc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc2o1 ZINC000172832486 536590355 /nfs/dbraw/zinc/59/03/55/536590355.db2.gz WDPGLOZOWMPYMY-INIZCTEOSA-N 2 1 342.439 3.137 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc2o1 ZINC000172832486 536590363 /nfs/dbraw/zinc/59/03/63/536590363.db2.gz WDPGLOZOWMPYMY-INIZCTEOSA-N 2 1 342.439 3.137 20 0 EGADMP Cc1cccn2cc(CC[NH2+]C3CC[NH+](Cc4ccccc4)CC3)nc12 ZINC000080236241 546598417 /nfs/dbraw/zinc/59/84/17/546598417.db2.gz AQZAYRSRLYNGFH-UHFFFAOYSA-N 2 1 348.494 3.439 20 0 EGADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC(F)F ZINC000166432792 546987149 /nfs/dbraw/zinc/98/71/49/546987149.db2.gz QZYSYCGLOCSAHU-HUUCEWRRSA-N 2 1 340.414 3.056 20 0 EGADMP O=C(CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Nc1ccc(Cl)cc1 ZINC000246433968 547279992 /nfs/dbraw/zinc/27/99/92/547279992.db2.gz INVPGEHUJZZBHI-IRXDYDNUSA-N 2 1 335.879 3.275 20 0 EGADMP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000339066265 547569184 /nfs/dbraw/zinc/56/91/84/547569184.db2.gz JMSJOXDGMWICSQ-SJORKVTESA-N 2 1 328.435 3.036 20 0 EGADMP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000339066265 547569189 /nfs/dbraw/zinc/56/91/89/547569189.db2.gz JMSJOXDGMWICSQ-SJORKVTESA-N 2 1 328.435 3.036 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339066121 547569375 /nfs/dbraw/zinc/56/93/75/547569375.db2.gz BUJHVWVGJQQOPQ-UXHICEINSA-N 3 1 345.531 3.124 20 0 EGADMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339066121 547569379 /nfs/dbraw/zinc/56/93/79/547569379.db2.gz BUJHVWVGJQQOPQ-UXHICEINSA-N 2 1 345.531 3.124 20 0 EGADMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339066121 547569384 /nfs/dbraw/zinc/56/93/84/547569384.db2.gz BUJHVWVGJQQOPQ-UXHICEINSA-N 2 1 345.531 3.124 20 0 EGADMP CC(C)CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C(C)(C)C ZINC000343539494 547602767 /nfs/dbraw/zinc/60/27/67/547602767.db2.gz WBMXXFJTPVFKKM-GOSISDBHSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398111916 547837178 /nfs/dbraw/zinc/83/71/78/547837178.db2.gz DJCSHUJWNMECBO-IHPCNDPISA-N 2 1 345.531 3.024 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(-c2ccccc2)c1 ZINC000500426059 548001903 /nfs/dbraw/zinc/00/19/03/548001903.db2.gz YMOJSOBCWZEMOS-UHFFFAOYSA-N 2 1 337.511 3.423 20 0 EGADMP CNC(=O)[C@H](CC(C)C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000671758102 548354491 /nfs/dbraw/zinc/35/44/91/548354491.db2.gz HGZJNHOHVOQXBC-MHJFOBGBSA-N 2 1 345.531 3.180 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000675752169 548974813 /nfs/dbraw/zinc/97/48/13/548974813.db2.gz MEKNELUPJKKUQB-KYNGSXCRSA-N 2 1 342.487 3.248 20 0 EGADMP c1ccc2c(c1)CSC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675880830 548995918 /nfs/dbraw/zinc/99/59/18/548995918.db2.gz HNTOKIHVVGXNNB-HKUYNNGSSA-N 2 1 332.513 3.208 20 0 EGADMP c1ccc2c(c1)SCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882340 548996409 /nfs/dbraw/zinc/99/64/09/548996409.db2.gz QSXPYOAEZJZLIO-WMZOPIPTSA-N 2 1 332.513 3.457 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(OC)cc1 ZINC000675883200 548996529 /nfs/dbraw/zinc/99/65/29/548996529.db2.gz XSQHFXHDIHOJOQ-WOJBJXKFSA-N 2 1 332.488 3.379 20 0 EGADMP C[C@H]([NH2+]Cc1cnnn1-c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000676462056 549091536 /nfs/dbraw/zinc/09/15/36/549091536.db2.gz ZQCUIJZCHROKRU-DLBZAZTESA-N 2 1 339.487 3.010 20 0 EGADMP C[C@H]([NH2+]Cc1cnnn1-c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000676462056 549091541 /nfs/dbraw/zinc/09/15/41/549091541.db2.gz ZQCUIJZCHROKRU-DLBZAZTESA-N 2 1 339.487 3.010 20 0 EGADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000676902402 549177072 /nfs/dbraw/zinc/17/70/72/549177072.db2.gz QQMUTFSRYIWBGM-GOSISDBHSA-N 2 1 344.499 3.177 20 0 EGADMP Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1F ZINC000677237867 549234704 /nfs/dbraw/zinc/23/47/04/549234704.db2.gz OLCPYZFOCMDGFD-OWCLPIDISA-N 2 1 335.442 3.008 20 0 EGADMP Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678125940 549403048 /nfs/dbraw/zinc/40/30/48/549403048.db2.gz YBKWTDZZLJSXAH-FQEVSTJZSA-N 2 1 327.472 3.303 20 0 EGADMP CC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[C@@H]1CCOC1 ZINC000678152127 549412103 /nfs/dbraw/zinc/41/21/03/549412103.db2.gz XIMZANNQJFOGKV-SFHVURJKSA-N 2 1 345.531 3.075 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCc3cccc(F)c3C2)cc1 ZINC000678266975 549451120 /nfs/dbraw/zinc/45/11/20/549451120.db2.gz KQOUVZCIUOYUFL-UHFFFAOYSA-N 2 1 328.431 3.324 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCc3cccc(F)c3C2)cc1 ZINC000678266975 549451124 /nfs/dbraw/zinc/45/11/24/549451124.db2.gz KQOUVZCIUOYUFL-UHFFFAOYSA-N 2 1 328.431 3.324 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCS1 ZINC000678270865 549453571 /nfs/dbraw/zinc/45/35/71/549453571.db2.gz LKIURZWYFOJFAI-IBGZPJMESA-N 2 1 334.529 3.489 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(N(C)C)nc2)CC1)CC1CC1 ZINC000678353335 549474907 /nfs/dbraw/zinc/47/49/07/549474907.db2.gz KJPQCYSODJSWIJ-UHFFFAOYSA-N 2 1 344.547 3.482 20 0 EGADMP Cc1cccc(C(C)(C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000678781198 549560153 /nfs/dbraw/zinc/56/01/53/549560153.db2.gz DKEWUPXFINDBGR-HXUWFJFHSA-N 2 1 326.484 3.313 20 0 EGADMP Cc1cccc(C(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000678781198 549560155 /nfs/dbraw/zinc/56/01/55/549560155.db2.gz DKEWUPXFINDBGR-HXUWFJFHSA-N 2 1 326.484 3.313 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)[C@H](C)C2 ZINC000679341892 549692625 /nfs/dbraw/zinc/69/26/25/549692625.db2.gz JXOBGDVCGGADIC-OZOXKJRCSA-N 2 1 328.500 3.461 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncn1 ZINC000679721187 549768172 /nfs/dbraw/zinc/76/81/72/549768172.db2.gz JLRIRAUJHTZXCS-HMXCVIKNSA-N 2 1 336.483 3.175 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ncn1 ZINC000679721187 549768173 /nfs/dbraw/zinc/76/81/73/549768173.db2.gz JLRIRAUJHTZXCS-HMXCVIKNSA-N 2 1 336.483 3.175 20 0 EGADMP C[C@@H](C[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1)c1nccs1 ZINC000680335076 549851198 /nfs/dbraw/zinc/85/11/98/549851198.db2.gz LLUGNJSJAYIWHI-HNNXBMFYSA-N 2 1 333.501 3.319 20 0 EGADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)Cc1ccccn1 ZINC000680477690 549870098 /nfs/dbraw/zinc/87/00/98/549870098.db2.gz ZNSFMRWLQUZNDL-UHFFFAOYSA-N 2 1 325.456 3.188 20 0 EGADMP COc1cc(C)c([C@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000682070152 550068461 /nfs/dbraw/zinc/06/84/61/550068461.db2.gz KIWQEJMWLVUVOF-ROUUACIJSA-N 2 1 348.531 3.398 20 0 EGADMP Fc1ccc(COC2CC[NH+]([C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000682075084 550069311 /nfs/dbraw/zinc/06/93/11/550069311.db2.gz GBARTHNVTCAEDC-RTBURBONSA-N 2 1 332.463 3.434 20 0 EGADMP Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000682912780 550162509 /nfs/dbraw/zinc/16/25/09/550162509.db2.gz JZFYFVSXNBOJEY-OALUTQOASA-N 2 1 344.547 3.420 20 0 EGADMP C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684147931 550296461 /nfs/dbraw/zinc/29/64/61/550296461.db2.gz AQYHMZHJEBTFJZ-ICSRJNTNSA-N 2 1 346.515 3.287 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H](C2CC2)O1 ZINC000684411151 550326604 /nfs/dbraw/zinc/32/66/04/550326604.db2.gz BBLSVHFXPXWYMC-UWJYYQICSA-N 2 1 344.499 3.161 20 0 EGADMP Cc1cc(C)c(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000685458043 550419197 /nfs/dbraw/zinc/41/91/97/550419197.db2.gz YVJWXLHQWGDFTK-OAQYLSRUSA-N 2 1 329.532 3.212 20 0 EGADMP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685471427 550421245 /nfs/dbraw/zinc/42/12/45/550421245.db2.gz VVJZTEDTUQPDAI-LJQANCHMSA-N 2 1 342.487 3.304 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C(C)(C)n1cncn1 ZINC000685648160 550435785 /nfs/dbraw/zinc/43/57/85/550435785.db2.gz WKOWUHBWAJGHHD-UXLLHSPISA-N 2 1 347.532 3.136 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C(C)(C)n1cncn1 ZINC000685648160 550435787 /nfs/dbraw/zinc/43/57/87/550435787.db2.gz WKOWUHBWAJGHHD-UXLLHSPISA-N 2 1 347.532 3.136 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CCc2ccc(-c3ccccc3)cc21)C[NH+]1CCCC1 ZINC000681738775 576179503 /nfs/dbraw/zinc/17/95/03/576179503.db2.gz NXFPFJKXSFAKNX-IFMALSPDSA-N 2 1 336.479 3.387 20 0 EGADMP CC(C)(C)OC(=O)N(CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000305892781 1297064610 /nfs/dbraw/zinc/06/46/10/1297064610.db2.gz OMHMJSJJPJABRI-JKSUJKDBSA-N 2 1 339.524 3.238 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc3ncccc23)C[C@H](C)O1 ZINC000873057310 1297249786 /nfs/dbraw/zinc/24/97/86/1297249786.db2.gz ZBLGPEBSOVKKFT-CALCHBBNSA-N 2 1 327.472 3.214 20 0 EGADMP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000693698136 1298150880 /nfs/dbraw/zinc/15/08/80/1298150880.db2.gz TWQRCQVVVYRPIK-ZCNNSNEGSA-N 2 1 327.516 3.017 20 0 EGADMP CC(C)[C@H](C[NH3+])C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000693665693 1298151447 /nfs/dbraw/zinc/15/14/47/1298151447.db2.gz UIRBJITWMQTKFO-WOJBJXKFSA-N 3 1 329.532 3.109 20 0 EGADMP CC(C)[C@H](C[NH3+])CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000693665693 1298151452 /nfs/dbraw/zinc/15/14/52/1298151452.db2.gz UIRBJITWMQTKFO-WOJBJXKFSA-N 2 1 329.532 3.109 20 0 EGADMP CC(C)[C@H](C[NH3+])CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000693665693 1298151457 /nfs/dbraw/zinc/15/14/57/1298151457.db2.gz UIRBJITWMQTKFO-WOJBJXKFSA-N 2 1 329.532 3.109 20 0 EGADMP COc1cc(OC)c(OC)cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000061003141 1291956909 /nfs/dbraw/zinc/95/69/09/1291956909.db2.gz QWWXDXASNIFCQG-UHFFFAOYSA-N 2 1 336.476 3.111 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1c2ccccc2oc1=O ZINC000066795669 1292130588 /nfs/dbraw/zinc/13/05/88/1292130588.db2.gz OVVNOXDTLMNLSQ-UHFFFAOYSA-N 2 1 339.439 3.136 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1c2ccccc2oc1=O ZINC000066795669 1292130591 /nfs/dbraw/zinc/13/05/91/1292130591.db2.gz OVVNOXDTLMNLSQ-UHFFFAOYSA-N 2 1 339.439 3.136 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2OC)C1 ZINC000067223072 1292154082 /nfs/dbraw/zinc/15/40/82/1292154082.db2.gz RGLJJDJFOATKDE-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2OC)C1 ZINC000067223072 1292154085 /nfs/dbraw/zinc/15/40/85/1292154085.db2.gz RGLJJDJFOATKDE-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000071825227 1292268935 /nfs/dbraw/zinc/26/89/35/1292268935.db2.gz MCEARLKATVKQMN-OAHLLOKOSA-N 2 1 338.455 3.265 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000073023738 1292302638 /nfs/dbraw/zinc/30/26/38/1292302638.db2.gz OMNHSBXOPDYZPF-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1OCC ZINC000078911079 1292534837 /nfs/dbraw/zinc/53/48/37/1292534837.db2.gz ZURDTDSJOHCVJJ-KRWDZBQOSA-N 2 1 332.488 3.448 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000079461625 1292559661 /nfs/dbraw/zinc/55/96/61/1292559661.db2.gz DTWSZUZNVSAUGJ-CRAIPNDOSA-N 2 1 335.467 3.125 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000079461625 1292559670 /nfs/dbraw/zinc/55/96/70/1292559670.db2.gz DTWSZUZNVSAUGJ-CRAIPNDOSA-N 2 1 335.467 3.125 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000079461625 1292559674 /nfs/dbraw/zinc/55/96/74/1292559674.db2.gz DTWSZUZNVSAUGJ-CRAIPNDOSA-N 2 1 335.467 3.125 20 0 EGADMP CCc1ncc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000084020448 1292699074 /nfs/dbraw/zinc/69/90/74/1292699074.db2.gz HPYSANXZZXHZCH-KRWDZBQOSA-N 2 1 329.513 3.360 20 0 EGADMP CCc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000084020448 1292699082 /nfs/dbraw/zinc/69/90/82/1292699082.db2.gz HPYSANXZZXHZCH-KRWDZBQOSA-N 2 1 329.513 3.360 20 0 EGADMP CCCCOC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821588 1292892692 /nfs/dbraw/zinc/89/26/92/1292892692.db2.gz SPWYBTRNHJEFPN-KRWDZBQOSA-N 2 1 347.503 3.352 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](CN2Cc3ccc(F)cc3C2=O)CC1 ZINC000092881765 1292897681 /nfs/dbraw/zinc/89/76/81/1292897681.db2.gz ZZZYLFWCTCXMSF-UHFFFAOYSA-N 2 1 347.478 3.183 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CN2Cc3ccc(F)cc3C2=O)CC1 ZINC000092881765 1292897695 /nfs/dbraw/zinc/89/76/95/1292897695.db2.gz ZZZYLFWCTCXMSF-UHFFFAOYSA-N 2 1 347.478 3.183 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc3c(c2)OCCO3)c1 ZINC000105449547 1293037216 /nfs/dbraw/zinc/03/72/16/1293037216.db2.gz FXFVMUGLWMOJEY-UHFFFAOYSA-N 2 1 326.440 3.199 20 0 EGADMP COc1cc2c(c(C[NH2+]C[C@H]3CCC[N@@H+](C(C)C)C3)c1)O[C@@H](C)C2 ZINC000105456123 1293037720 /nfs/dbraw/zinc/03/77/20/1293037720.db2.gz SMVIOEZWKLCBNX-JKSUJKDBSA-N 2 1 332.488 3.229 20 0 EGADMP COc1cc2c(c(C[NH2+]C[C@H]3CCC[N@H+](C(C)C)C3)c1)O[C@@H](C)C2 ZINC000105456123 1293037731 /nfs/dbraw/zinc/03/77/31/1293037731.db2.gz SMVIOEZWKLCBNX-JKSUJKDBSA-N 2 1 332.488 3.229 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1nc(Br)cs1 ZINC000834566290 1293117279 /nfs/dbraw/zinc/11/72/79/1293117279.db2.gz IMGUBWAUYYEQTH-NXEZZACHSA-N 2 1 343.294 3.397 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000121809368 1293391676 /nfs/dbraw/zinc/39/16/76/1293391676.db2.gz VIIKYKQXYKILDC-JKSUJKDBSA-N 2 1 344.503 3.353 20 0 EGADMP CCOC(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)OCC ZINC000124693255 1293482049 /nfs/dbraw/zinc/48/20/49/1293482049.db2.gz UQFDNJKDMROTBF-UXHICEINSA-N 2 1 346.515 3.372 20 0 EGADMP CCOC(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)OCC ZINC000124693255 1293482055 /nfs/dbraw/zinc/48/20/55/1293482055.db2.gz UQFDNJKDMROTBF-UXHICEINSA-N 2 1 346.515 3.372 20 0 EGADMP CCOC(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)OCC ZINC000124693255 1293482058 /nfs/dbraw/zinc/48/20/58/1293482058.db2.gz UQFDNJKDMROTBF-UXHICEINSA-N 2 1 346.515 3.372 20 0 EGADMP CCOC(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)OCC ZINC000124693255 1293482060 /nfs/dbraw/zinc/48/20/60/1293482060.db2.gz UQFDNJKDMROTBF-UXHICEINSA-N 2 1 346.515 3.372 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000126080386 1293524899 /nfs/dbraw/zinc/52/48/99/1293524899.db2.gz JPNBJFUYLZOVAI-LJQANCHMSA-N 2 1 347.503 3.128 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000126080386 1293524902 /nfs/dbraw/zinc/52/49/02/1293524902.db2.gz JPNBJFUYLZOVAI-LJQANCHMSA-N 2 1 347.503 3.128 20 0 EGADMP O=C(c1ccn2c[nH+]cc2c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000131379867 1293688029 /nfs/dbraw/zinc/68/80/29/1293688029.db2.gz JFIFGGMKZACUJN-UHFFFAOYSA-N 2 1 340.471 3.063 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(N)=O)cs2)[C@@H]1c1cccs1 ZINC000133042707 1293735401 /nfs/dbraw/zinc/73/54/01/1293735401.db2.gz DKANXGGUMZJXPL-BLLLJJGKSA-N 2 1 349.525 3.081 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(N)=O)cs2)[C@@H]1c1cccs1 ZINC000133042707 1293735404 /nfs/dbraw/zinc/73/54/04/1293735404.db2.gz DKANXGGUMZJXPL-BLLLJJGKSA-N 2 1 349.525 3.081 20 0 EGADMP Cc1ccc([C@H](O)CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000174397107 1294498412 /nfs/dbraw/zinc/49/84/12/1294498412.db2.gz LTSLSKRBJSYJMF-RBBKRZOGSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1ccc([C@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000174397107 1294498417 /nfs/dbraw/zinc/49/84/17/1294498417.db2.gz LTSLSKRBJSYJMF-RBBKRZOGSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1ccc([C@H](O)C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000174397107 1294498425 /nfs/dbraw/zinc/49/84/25/1294498425.db2.gz LTSLSKRBJSYJMF-RBBKRZOGSA-N 2 1 338.495 3.482 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CC[NH2+]CC2CC2)c1 ZINC000870869082 1296123303 /nfs/dbraw/zinc/12/33/03/1296123303.db2.gz ZNSWTHMRIYWXPR-UHFFFAOYSA-N 2 1 340.471 3.383 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000870907863 1296135707 /nfs/dbraw/zinc/13/57/07/1296135707.db2.gz PYADWWPQLICDNN-QXAKKESOSA-N 2 1 335.536 3.007 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000870907253 1296136085 /nfs/dbraw/zinc/13/60/85/1296136085.db2.gz JIFPUIKRXHFVNB-WDSOQIARSA-N 2 1 335.536 3.007 20 0 EGADMP C[C@H]1CCC[C@](C[NH2+]CCCNC(=O)OC(C)(C)C)([NH+](C)C)C1 ZINC000227409851 1296143569 /nfs/dbraw/zinc/14/35/69/1296143569.db2.gz HSUNZOJXPPRKBC-YJBOKZPZSA-N 2 1 327.513 3.001 20 0 EGADMP C[N@@H+](Cc1cc(Br)cc2c1OCC2)C1CCC([NH3+])CC1 ZINC000228495947 1296152630 /nfs/dbraw/zinc/15/26/30/1296152630.db2.gz BSMVVAUSOCQBFQ-UHFFFAOYSA-N 2 1 339.277 3.086 20 0 EGADMP COc1cc2c(c(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1)O[C@H](C)C2 ZINC000237232158 1296229914 /nfs/dbraw/zinc/22/99/14/1296229914.db2.gz NEXWUQWEDLPZSI-RDTXWAMCSA-N 2 1 334.504 3.475 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000237389205 1296238986 /nfs/dbraw/zinc/23/89/86/1296238986.db2.gz IINFOLSEKWSNPY-UHFFFAOYSA-N 2 1 342.487 3.438 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCCCC[NH3+] ZINC000237519565 1296247792 /nfs/dbraw/zinc/24/77/92/1296247792.db2.gz WGSOCVRXRGEMIP-KRWDZBQOSA-N 2 1 331.504 3.196 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCCCC[NH3+])cc2)C1 ZINC000237552988 1296250423 /nfs/dbraw/zinc/25/04/23/1296250423.db2.gz CCVXHMPOCNNLTF-QGZVFWFLSA-N 2 1 331.504 3.054 20 0 EGADMP Clc1ccc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000261646943 1296597733 /nfs/dbraw/zinc/59/77/33/1296597733.db2.gz JBVIUZUWPDFCMT-INIZCTEOSA-N 2 1 346.862 3.354 20 0 EGADMP Clc1ccc(-n2cc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cn2)cc1 ZINC000261944113 1296610104 /nfs/dbraw/zinc/61/01/04/1296610104.db2.gz FAYPMJUCTOJSPO-UHFFFAOYSA-N 2 1 330.863 3.101 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CCCC2 ZINC000872035866 1296683532 /nfs/dbraw/zinc/68/35/32/1296683532.db2.gz NWYIODVHISSASJ-CRAIPNDOSA-N 2 1 332.488 3.403 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)[C@H](n2cncn2)C1 ZINC000283887796 1296732843 /nfs/dbraw/zinc/73/28/43/1296732843.db2.gz CKBAJHUMGIRZOO-MISYRCLQSA-N 2 1 341.503 3.120 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCN(Cc2ccccc2)c2ccccn2)CC[N@H+]1C ZINC000872123638 1296751276 /nfs/dbraw/zinc/75/12/76/1296751276.db2.gz YYZMIZGWGVUTOU-AZUAARDMSA-N 2 1 338.499 3.161 20 0 EGADMP CC1(C)CCc2onc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c2C1 ZINC000872144064 1296765575 /nfs/dbraw/zinc/76/55/75/1296765575.db2.gz BDJYVEHRLTUGPP-INIZCTEOSA-N 2 1 331.504 3.401 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CN2CCC3(CCC3)C2=O)CC1)CC1CC1 ZINC000872594972 1297021493 /nfs/dbraw/zinc/02/14/93/1297021493.db2.gz CKYNCCIKDGTFIS-UHFFFAOYSA-N 2 1 347.547 3.181 20 0 EGADMP CC(C)(C)OC(=O)N(CC[NH2+]C(C)(C)C[NH+]1CCCC1)C(C)(C)C ZINC000308628559 1297071078 /nfs/dbraw/zinc/07/10/78/1297071078.db2.gz SQVILZABSBHXSZ-UHFFFAOYSA-N 2 1 341.540 3.486 20 0 EGADMP CCCCOC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000310987891 1297103120 /nfs/dbraw/zinc/10/31/20/1297103120.db2.gz KTSRZCPTOZSUQM-UHFFFAOYSA-N 2 1 344.499 3.318 20 0 EGADMP CCCCOC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000310987891 1297103127 /nfs/dbraw/zinc/10/31/27/1297103127.db2.gz KTSRZCPTOZSUQM-UHFFFAOYSA-N 2 1 344.499 3.318 20 0 EGADMP CCOc1cccc(F)c1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000873013570 1297223150 /nfs/dbraw/zinc/22/31/50/1297223150.db2.gz DEHLYAMPXAGSIE-UHFFFAOYSA-N 2 1 346.446 3.455 20 0 EGADMP Cc1nn2c(C[N@@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)c(C(C)C)nc2s1 ZINC000873223836 1297362644 /nfs/dbraw/zinc/36/26/44/1297362644.db2.gz SZFBPVJIMLAFHP-GOSISDBHSA-N 2 1 349.548 3.420 20 0 EGADMP Cc1nn2c(C[N@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)c(C(C)C)nc2s1 ZINC000873223836 1297362654 /nfs/dbraw/zinc/36/26/54/1297362654.db2.gz SZFBPVJIMLAFHP-GOSISDBHSA-N 2 1 349.548 3.420 20 0 EGADMP CC[NH+](CC)CCOc1ccc(-c2noc([C@H](C)[NH+](C)C)n2)cc1 ZINC000350587603 1297407927 /nfs/dbraw/zinc/40/79/27/1297407927.db2.gz BRFKDZJEBCEJGF-AWEZNQCLSA-N 2 1 332.448 3.080 20 0 EGADMP C[C@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)C[NH+]1CCCC1 ZINC000378907109 1297528215 /nfs/dbraw/zinc/52/82/15/1297528215.db2.gz ZQHUBKBECUBXAT-CQSZACIVSA-N 2 1 338.879 3.323 20 0 EGADMP CC(C)C[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000389881246 1297618744 /nfs/dbraw/zinc/61/87/44/1297618744.db2.gz ZIXNVQKSGFGXRA-GHTZIAJQSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000389881246 1297618748 /nfs/dbraw/zinc/61/87/48/1297618748.db2.gz ZIXNVQKSGFGXRA-GHTZIAJQSA-N 2 1 329.532 3.217 20 0 EGADMP CCON1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390515872 1297627240 /nfs/dbraw/zinc/62/72/40/1297627240.db2.gz ALFYMHSMPUWOSW-HXUWFJFHSA-N 2 1 345.531 3.293 20 0 EGADMP CCON1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390515872 1297627250 /nfs/dbraw/zinc/62/72/50/1297627250.db2.gz ALFYMHSMPUWOSW-HXUWFJFHSA-N 2 1 345.531 3.293 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000396456551 1297688712 /nfs/dbraw/zinc/68/87/12/1297688712.db2.gz NDSLLMRHLNUIOB-GOSISDBHSA-N 3 1 329.532 3.013 20 0 EGADMP C[C@@H]1CN(C(=O)C2([NH3+])CCCCC2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404386420 1297751107 /nfs/dbraw/zinc/75/11/07/1297751107.db2.gz NCXGIJZPEJGJAL-FGTMMUONSA-N 2 1 343.515 3.158 20 0 EGADMP C[C@@H]1CN(C(=O)C2([NH3+])CCCCC2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000404386420 1297751114 /nfs/dbraw/zinc/75/11/14/1297751114.db2.gz NCXGIJZPEJGJAL-FGTMMUONSA-N 2 1 343.515 3.158 20 0 EGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000693912851 1298153178 /nfs/dbraw/zinc/15/31/78/1298153178.db2.gz SHKFZBPIECOPHD-CJNGLKHVSA-N 2 1 325.294 3.454 20 0 EGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702621004 1298194713 /nfs/dbraw/zinc/19/47/13/1298194713.db2.gz BNIMTOBVQWVQQL-LMNJBCLMSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702621004 1298194721 /nfs/dbraw/zinc/19/47/21/1298194721.db2.gz BNIMTOBVQWVQQL-LMNJBCLMSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn2ccccc12 ZINC000708588443 1298242030 /nfs/dbraw/zinc/24/20/30/1298242030.db2.gz UMDGXZZFRQJCPT-YLJYHZDGSA-N 2 1 334.467 3.192 20 0 EGADMP C[C@@H]1CCC[C@@H](C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000711807224 1298261593 /nfs/dbraw/zinc/26/15/93/1298261593.db2.gz CGTYVZBZVSTWKU-HMXCVIKNSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1CCC[C@@H](C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000711807224 1298261603 /nfs/dbraw/zinc/26/16/03/1298261603.db2.gz CGTYVZBZVSTWKU-HMXCVIKNSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1CCC[C@@H](C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000711807224 1298261612 /nfs/dbraw/zinc/26/16/12/1298261612.db2.gz CGTYVZBZVSTWKU-HMXCVIKNSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1CCC[C@@H](C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000711807224 1298261622 /nfs/dbraw/zinc/26/16/22/1298261622.db2.gz CGTYVZBZVSTWKU-HMXCVIKNSA-N 2 1 330.516 3.382 20 0 EGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000723701402 1298341563 /nfs/dbraw/zinc/34/15/63/1298341563.db2.gz BGQZTEHHNIJUTB-LBPRGKRZSA-N 2 1 334.261 3.168 20 0 EGADMP Cn1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(-c2cc(F)ccc2F)n1 ZINC000876689812 1298921947 /nfs/dbraw/zinc/92/19/47/1298921947.db2.gz BTINOUKTIDHWPQ-UHFFFAOYSA-N 2 1 348.441 3.139 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876941562 1299078339 /nfs/dbraw/zinc/07/83/39/1299078339.db2.gz NSRRNDFBAGWMKH-TWPWWVQHSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H](CCOCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000877479180 1299329003 /nfs/dbraw/zinc/32/90/03/1299329003.db2.gz UGTXMHRAXOUABY-OALUTQOASA-N 2 1 334.504 3.072 20 0 EGADMP C[C@@H](CCOCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000877479180 1299329013 /nfs/dbraw/zinc/32/90/13/1299329013.db2.gz UGTXMHRAXOUABY-OALUTQOASA-N 2 1 334.504 3.072 20 0 EGADMP Cc1c(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)sc2nc(C)nc(C)c12 ZINC000877744654 1299523541 /nfs/dbraw/zinc/52/35/41/1299523541.db2.gz WJRLZVLWNBKZJB-LSDHHAIUSA-N 2 1 330.501 3.143 20 0 EGADMP Cc1c(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)sc2nc(C)nc(C)c12 ZINC000877744654 1299523550 /nfs/dbraw/zinc/52/35/50/1299523550.db2.gz WJRLZVLWNBKZJB-LSDHHAIUSA-N 2 1 330.501 3.143 20 0 EGADMP Cc1c(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)sc2nc(C)nc(C)c12 ZINC000877744654 1299523556 /nfs/dbraw/zinc/52/35/56/1299523556.db2.gz WJRLZVLWNBKZJB-LSDHHAIUSA-N 2 1 330.501 3.143 20 0 EGADMP Cc1c(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)sc2nc(C)nc(C)c12 ZINC000877744654 1299523564 /nfs/dbraw/zinc/52/35/64/1299523564.db2.gz WJRLZVLWNBKZJB-LSDHHAIUSA-N 2 1 330.501 3.143 20 0 EGADMP Cc1cc(C)c(/C=C\C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000877746704 1299524254 /nfs/dbraw/zinc/52/42/54/1299524254.db2.gz GXKSXROWZHOIBW-WAYWQWQTSA-N 2 1 341.543 3.337 20 0 EGADMP O[C@@H](C[NH2+][C@@H](Cc1ccccc1)c1cccs1)C[NH+]1CCCC1 ZINC000754370170 1300132343 /nfs/dbraw/zinc/13/23/43/1300132343.db2.gz WWYZJGAFBSWAFN-ROUUACIJSA-N 2 1 330.497 3.078 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3ccc(-c4cccs4)n3)C2)CC1 ZINC000755775727 1300395520 /nfs/dbraw/zinc/39/55/20/1300395520.db2.gz UEWDYIATRYTUJA-INIZCTEOSA-N 2 1 330.501 3.233 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000756107218 1300440426 /nfs/dbraw/zinc/44/04/26/1300440426.db2.gz PMJHETNYCKUTSD-INIZCTEOSA-N 2 1 348.491 3.249 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000756107218 1300440430 /nfs/dbraw/zinc/44/04/30/1300440430.db2.gz PMJHETNYCKUTSD-INIZCTEOSA-N 2 1 348.491 3.249 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)c1ccc(F)cc1F ZINC000880516839 1301143834 /nfs/dbraw/zinc/14/38/34/1301143834.db2.gz ACDSSGSEDJFMMR-GOSISDBHSA-N 2 1 326.431 3.196 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759853938 1301177561 /nfs/dbraw/zinc/17/75/61/1301177561.db2.gz PPESMFCEUKNHCX-KRWDZBQOSA-N 2 1 328.859 3.319 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759853938 1301177564 /nfs/dbraw/zinc/17/75/64/1301177564.db2.gz PPESMFCEUKNHCX-KRWDZBQOSA-N 2 1 328.859 3.319 20 0 EGADMP COc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000765488122 1302272041 /nfs/dbraw/zinc/27/20/41/1302272041.db2.gz FAWJQKIFJYSBOJ-UHFFFAOYSA-N 2 1 349.434 3.271 20 0 EGADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765973095 1302359334 /nfs/dbraw/zinc/35/93/34/1302359334.db2.gz CCKZZIHUCYDTRE-UYAOXDASSA-N 2 1 344.499 3.442 20 0 EGADMP C[C@@H]1CCC[N@@H+]1CCNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000766271832 1302418372 /nfs/dbraw/zinc/41/83/72/1302418372.db2.gz GILXLDCIRYUCCI-MRXNPFEDSA-N 2 1 335.923 3.378 20 0 EGADMP C[C@@H]1CCC[N@H+]1CCNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000766271832 1302418377 /nfs/dbraw/zinc/41/83/77/1302418377.db2.gz GILXLDCIRYUCCI-MRXNPFEDSA-N 2 1 335.923 3.378 20 0 EGADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000884213182 1302773460 /nfs/dbraw/zinc/77/34/60/1302773460.db2.gz VIIXSVGYCODUOP-MAUKXSAKSA-N 2 1 347.503 3.028 20 0 EGADMP CC[N@H+](CC[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000768221777 1302859424 /nfs/dbraw/zinc/85/94/24/1302859424.db2.gz VUOFPZCXUDTSJP-INIZCTEOSA-N 2 1 341.540 3.342 20 0 EGADMP CC[N@@H+](CC[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000768221777 1302859430 /nfs/dbraw/zinc/85/94/30/1302859430.db2.gz VUOFPZCXUDTSJP-INIZCTEOSA-N 2 1 341.540 3.342 20 0 EGADMP C[C@@H](C(=O)OCC[N@@H+](C)Cc1ccc(F)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000769110103 1303049399 /nfs/dbraw/zinc/04/93/99/1303049399.db2.gz VZSBCUIEVLVSRT-OAGGEKHMSA-N 2 1 336.451 3.062 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3nc(Cl)c4ccccc43)C2)CC1 ZINC000769651053 1303153164 /nfs/dbraw/zinc/15/31/64/1303153164.db2.gz AIRGWDLXWIXFOT-OAHLLOKOSA-N 2 1 332.879 3.311 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000886060125 1303341292 /nfs/dbraw/zinc/34/12/92/1303341292.db2.gz VBFWNNSMNMYVTI-CIRMQIMFSA-N 2 1 340.442 3.195 20 0 EGADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC2)[nH+]c1C ZINC000886667594 1303547535 /nfs/dbraw/zinc/54/75/35/1303547535.db2.gz DIDYSFOIJQKZFS-KRWDZBQOSA-N 2 1 335.398 3.218 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(F)cc2Cl)C[C@H]1C ZINC000774637847 1303839126 /nfs/dbraw/zinc/83/91/26/1303839126.db2.gz STBMCYJAVWTOGN-IFIJOSMWSA-N 2 1 328.859 3.317 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(F)cc2Cl)C[C@H]1C ZINC000774637847 1303839134 /nfs/dbraw/zinc/83/91/34/1303839134.db2.gz STBMCYJAVWTOGN-IFIJOSMWSA-N 2 1 328.859 3.317 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc(F)cc2Cl)C[C@H]1C ZINC000774637847 1303839141 /nfs/dbraw/zinc/83/91/41/1303839141.db2.gz STBMCYJAVWTOGN-IFIJOSMWSA-N 2 1 328.859 3.317 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc(F)cc2Cl)C[C@H]1C ZINC000774637847 1303839151 /nfs/dbraw/zinc/83/91/51/1303839151.db2.gz STBMCYJAVWTOGN-IFIJOSMWSA-N 2 1 328.859 3.317 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000775414994 1303960849 /nfs/dbraw/zinc/96/08/49/1303960849.db2.gz POCNMCVMJZHYLF-WCXIOVBPSA-N 2 1 328.591 3.324 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888572507 1304198402 /nfs/dbraw/zinc/19/84/02/1304198402.db2.gz PODHOQUCIZFSED-UHFFFAOYSA-N 2 1 330.476 3.277 20 0 EGADMP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000779004760 1304517037 /nfs/dbraw/zinc/51/70/37/1304517037.db2.gz ZAAFTASIBMLULR-HOTGVXAUSA-N 2 1 339.524 3.096 20 0 EGADMP CC[C@H](C[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000779015385 1304518257 /nfs/dbraw/zinc/51/82/57/1304518257.db2.gz UTWPRJVSJCRTFW-ZACQAIPSSA-N 2 1 339.524 3.144 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000781198694 1304788368 /nfs/dbraw/zinc/78/83/68/1304788368.db2.gz DHRRGQWGBNRIMB-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781198694 1304788373 /nfs/dbraw/zinc/78/83/73/1304788373.db2.gz DHRRGQWGBNRIMB-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781198694 1304788376 /nfs/dbraw/zinc/78/83/76/1304788376.db2.gz DHRRGQWGBNRIMB-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCOC4CCC4)[C@@H]3C2)cc1 ZINC000781420791 1304825078 /nfs/dbraw/zinc/82/50/78/1304825078.db2.gz FFGLESAUTFIVRE-CEWLAPEOSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H]1CC[C@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000783234767 1305068301 /nfs/dbraw/zinc/06/83/01/1305068301.db2.gz SSUGVNANLJGZKX-OXQOHEQNSA-N 2 1 332.488 3.064 20 0 EGADMP C[N@@H+](Cc1ccc(O)c(F)c1)C1CCN(CCc2ccccn2)CC1 ZINC000891839862 1305184062 /nfs/dbraw/zinc/18/40/62/1305184062.db2.gz MSTBCGLBOGHRHV-UHFFFAOYSA-N 2 1 343.446 3.065 20 0 EGADMP CN(Cc1ccc(O)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000891839862 1305184066 /nfs/dbraw/zinc/18/40/66/1305184066.db2.gz MSTBCGLBOGHRHV-UHFFFAOYSA-N 2 1 343.446 3.065 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000892143473 1305266658 /nfs/dbraw/zinc/26/66/58/1305266658.db2.gz IMRXTMSXUFYJRK-SFHVURJKSA-N 2 1 336.524 3.014 20 0 EGADMP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1CC[NH+](C)CC1 ZINC000892160205 1305272513 /nfs/dbraw/zinc/27/25/13/1305272513.db2.gz VPWQTDAWWOSIQM-NRFANRHFSA-N 3 1 329.532 3.172 20 0 EGADMP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1CC[NH+](C)CC1 ZINC000892160205 1305272517 /nfs/dbraw/zinc/27/25/17/1305272517.db2.gz VPWQTDAWWOSIQM-NRFANRHFSA-N 3 1 329.532 3.172 20 0 EGADMP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1CC[NH+](C)CC1 ZINC000892160205 1305272520 /nfs/dbraw/zinc/27/25/20/1305272520.db2.gz VPWQTDAWWOSIQM-NRFANRHFSA-N 3 1 329.532 3.172 20 0 EGADMP CC[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)CC1CC[NH+](C)CC1 ZINC000892160205 1305272525 /nfs/dbraw/zinc/27/25/25/1305272525.db2.gz VPWQTDAWWOSIQM-NRFANRHFSA-N 2 1 329.532 3.172 20 0 EGADMP CC[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)CC1CC[NH+](C)CC1 ZINC000892160205 1305272527 /nfs/dbraw/zinc/27/25/27/1305272527.db2.gz VPWQTDAWWOSIQM-NRFANRHFSA-N 2 1 329.532 3.172 20 0 EGADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C2CC2)n1 ZINC000892742528 1305533599 /nfs/dbraw/zinc/53/35/99/1305533599.db2.gz ZKRZNGILZNRIJA-GOSISDBHSA-N 2 1 338.499 3.299 20 0 EGADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C2CC2)n1 ZINC000892742528 1305533604 /nfs/dbraw/zinc/53/36/04/1305533604.db2.gz ZKRZNGILZNRIJA-GOSISDBHSA-N 2 1 338.499 3.299 20 0 EGADMP COc1ccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc1 ZINC000893226434 1305771478 /nfs/dbraw/zinc/77/14/78/1305771478.db2.gz RDONGAISKSOTPG-MJGOQNOKSA-N 2 1 339.483 3.481 20 0 EGADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000788431754 1305940644 /nfs/dbraw/zinc/94/06/44/1305940644.db2.gz LCEGDITWKRDVBA-UHFFFAOYSA-N 2 1 348.434 3.235 20 0 EGADMP CC[NH+](CC)CCC[NH+]1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000788483383 1305953308 /nfs/dbraw/zinc/95/33/08/1305953308.db2.gz QJFVIDIRIUQDQQ-UHFFFAOYSA-N 2 1 341.540 3.297 20 0 EGADMP C[N@@H+](CCc1ccc(Br)cc1)CC1CC[NH+](C)CC1 ZINC000788482921 1305953706 /nfs/dbraw/zinc/95/37/06/1305953706.db2.gz PQSDOAUIPFYVLV-UHFFFAOYSA-N 2 1 325.294 3.265 20 0 EGADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894497488 1308923496 /nfs/dbraw/zinc/92/34/96/1308923496.db2.gz YQSAORUHCVBDCX-AAEUAGOBSA-N 2 1 333.423 3.164 20 0 EGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894497488 1308923502 /nfs/dbraw/zinc/92/35/02/1308923502.db2.gz YQSAORUHCVBDCX-AAEUAGOBSA-N 2 1 333.423 3.164 20 0 EGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894497488 1308923508 /nfs/dbraw/zinc/92/35/08/1308923508.db2.gz YQSAORUHCVBDCX-AAEUAGOBSA-N 2 1 333.423 3.164 20 0 EGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894497488 1308923512 /nfs/dbraw/zinc/92/35/12/1308923512.db2.gz YQSAORUHCVBDCX-AAEUAGOBSA-N 2 1 333.423 3.164 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)CC1 ZINC000894847665 1309098572 /nfs/dbraw/zinc/09/85/72/1309098572.db2.gz DOAFMSAXMCYQFU-HNNXBMFYSA-N 2 1 334.426 3.009 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795903958 1309857771 /nfs/dbraw/zinc/85/77/71/1309857771.db2.gz ROKPYAUKZDWUGG-CALCHBBNSA-N 2 1 338.536 3.266 20 0 EGADMP CC(C)[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H](O)c1ccccc1 ZINC000796363908 1309978127 /nfs/dbraw/zinc/97/81/27/1309978127.db2.gz REYAKULIJVGJBC-ZWKOTPCHSA-N 2 1 333.501 3.053 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)nc(Cl)c2)[C@H](C)C1 ZINC000797600435 1310219707 /nfs/dbraw/zinc/21/97/07/1310219707.db2.gz UKPJZCZMCSFDOS-RHSMWYFYSA-N 2 1 339.911 3.270 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)nc(Cl)c2)[C@H](C)C1 ZINC000797600435 1310219716 /nfs/dbraw/zinc/21/97/16/1310219716.db2.gz UKPJZCZMCSFDOS-RHSMWYFYSA-N 2 1 339.911 3.270 20 0 EGADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000799176850 1310499853 /nfs/dbraw/zinc/49/98/53/1310499853.db2.gz GRSFRGKHDNUSEJ-KRWDZBQOSA-N 2 1 343.515 3.384 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1F ZINC000799177034 1310501026 /nfs/dbraw/zinc/50/10/26/1310501026.db2.gz IOLNGKDHDWFKEF-INIZCTEOSA-N 2 1 347.478 3.269 20 0 EGADMP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898386849 1310702263 /nfs/dbraw/zinc/70/22/63/1310702263.db2.gz JDRNAXWIXLROCM-JCXROGDPSA-N 2 1 336.479 3.145 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+](CCc2ccccc2)C2CC2)CC1 ZINC000800334614 1310737703 /nfs/dbraw/zinc/73/77/03/1310737703.db2.gz OJLJDEVVNDEPJF-UHFFFAOYSA-N 2 1 329.532 3.110 20 0 EGADMP CN(C)c1ccc(N2CCC([NH2+]CC[C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000839181000 1320888095 /nfs/dbraw/zinc/88/80/95/1320888095.db2.gz FZQYFGZNBDVRAB-SFHVURJKSA-N 2 1 344.547 3.043 20 0 EGADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857281347 1328525925 /nfs/dbraw/zinc/52/59/25/1328525925.db2.gz YFWPRTBNGPDWAT-UXHICEINSA-N 2 1 343.515 3.052 20 0 EGADMP CC[C@H]1C[NH+](CC)CCN1C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857281347 1328525927 /nfs/dbraw/zinc/52/59/27/1328525927.db2.gz YFWPRTBNGPDWAT-UXHICEINSA-N 2 1 343.515 3.052 20 0 EGADMP CC[C@H]1C[NH+](CC)CCN1C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857281347 1328525929 /nfs/dbraw/zinc/52/59/29/1328525929.db2.gz YFWPRTBNGPDWAT-UXHICEINSA-N 2 1 343.515 3.052 20 0 EGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001018967481 1316988138 /nfs/dbraw/zinc/98/81/38/1316988138.db2.gz DYQQGWIYXMHGJW-ICSRJNTNSA-N 2 1 345.531 3.084 20 0 EGADMP CCC(CC)C[NH+]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000957288942 1317262984 /nfs/dbraw/zinc/26/29/84/1317262984.db2.gz JFPBQQXOMCZVIU-NRFANRHFSA-N 2 1 345.531 3.044 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001019468007 1317263046 /nfs/dbraw/zinc/26/30/46/1317263046.db2.gz BGUOYPUNJVQFHT-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)c1 ZINC000957411557 1317341644 /nfs/dbraw/zinc/34/16/44/1317341644.db2.gz JUFGQILRAKXAKP-ICSRJNTNSA-N 2 1 345.531 3.095 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000805764081 1317420349 /nfs/dbraw/zinc/42/03/49/1317420349.db2.gz VJZSGHGVZFMYAF-IRXDYDNUSA-N 2 1 339.524 3.240 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000805764081 1317420356 /nfs/dbraw/zinc/42/03/56/1317420356.db2.gz VJZSGHGVZFMYAF-IRXDYDNUSA-N 2 1 339.524 3.240 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000805764081 1317420360 /nfs/dbraw/zinc/42/03/60/1317420360.db2.gz VJZSGHGVZFMYAF-IRXDYDNUSA-N 2 1 339.524 3.240 20 0 EGADMP CC(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000957568305 1317465861 /nfs/dbraw/zinc/46/58/61/1317465861.db2.gz HJDXESPKZYZOPK-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CNc1ccccc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000902105275 1317523618 /nfs/dbraw/zinc/52/36/18/1317523618.db2.gz VDIBVFOHDZNZLE-KRWDZBQOSA-N 2 1 339.483 3.239 20 0 EGADMP CNc1ccccc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000902105275 1317523624 /nfs/dbraw/zinc/52/36/24/1317523624.db2.gz VDIBVFOHDZNZLE-KRWDZBQOSA-N 2 1 339.483 3.239 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000902453291 1317580475 /nfs/dbraw/zinc/58/04/75/1317580475.db2.gz OTHUEKOHOQRDSI-NEPJUHHUSA-N 2 1 348.082 3.181 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1)C(C)C ZINC000957720539 1317588818 /nfs/dbraw/zinc/58/88/18/1317588818.db2.gz QRAKMVFQXKCWKC-IBGZPJMESA-N 2 1 337.552 3.218 20 0 EGADMP CC[NH+](CC1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1)C(C)C ZINC000957720539 1317588824 /nfs/dbraw/zinc/58/88/24/1317588824.db2.gz QRAKMVFQXKCWKC-IBGZPJMESA-N 2 1 337.552 3.218 20 0 EGADMP CC[NH+](CC1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1)C(C)C ZINC000957720539 1317588831 /nfs/dbraw/zinc/58/88/31/1317588831.db2.gz QRAKMVFQXKCWKC-IBGZPJMESA-N 2 1 337.552 3.218 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000902621366 1317600304 /nfs/dbraw/zinc/60/03/04/1317600304.db2.gz GULLLCTWCOCZKY-UHFFFAOYSA-N 2 1 328.641 3.168 20 0 EGADMP CCO[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1 ZINC000902800947 1317618317 /nfs/dbraw/zinc/61/83/17/1317618317.db2.gz XWXIGYQMAZUBPM-RBUKOAKNSA-N 2 1 349.519 3.441 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CN2CC(C)(C)CC2=O)CC1)CC1CC1 ZINC000808175399 1317638829 /nfs/dbraw/zinc/63/88/29/1317638829.db2.gz PYCJDLZPYHBLLR-UHFFFAOYSA-N 2 1 335.536 3.036 20 0 EGADMP O=C1CCCN1c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903059018 1317643745 /nfs/dbraw/zinc/64/37/45/1317643745.db2.gz LXPFIMUCUSDNMP-XGSMCBPESA-N 2 1 339.483 3.061 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[NH+]1CCCC1 ZINC000957782699 1317644803 /nfs/dbraw/zinc/64/48/03/1317644803.db2.gz PLGIZHCGLSBNAA-ICSRJNTNSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903072540 1317647821 /nfs/dbraw/zinc/64/78/21/1317647821.db2.gz KHSAADXHVHYACD-MHVNKQBJSA-N 3 1 333.564 3.492 20 0 EGADMP CC(C)CC1(C)CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000808231294 1317648087 /nfs/dbraw/zinc/64/80/87/1317648087.db2.gz CRGOCMKTZDKNHK-HXUWFJFHSA-N 2 1 349.519 3.009 20 0 EGADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[NH+]1CCc2ccccc2C1 ZINC000903080898 1317648974 /nfs/dbraw/zinc/64/89/74/1317648974.db2.gz IMTMODWBROWHDF-YRBBNYTNSA-N 2 1 339.527 3.181 20 0 EGADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[NH+]1CCc2ccccc2C1 ZINC000903080898 1317648981 /nfs/dbraw/zinc/64/89/81/1317648981.db2.gz IMTMODWBROWHDF-YRBBNYTNSA-N 2 1 339.527 3.181 20 0 EGADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000903080898 1317648989 /nfs/dbraw/zinc/64/89/89/1317648989.db2.gz IMTMODWBROWHDF-YRBBNYTNSA-N 2 1 339.527 3.181 20 0 EGADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000903080898 1317648993 /nfs/dbraw/zinc/64/89/93/1317648993.db2.gz IMTMODWBROWHDF-YRBBNYTNSA-N 2 1 339.527 3.181 20 0 EGADMP CC(C)(C)OC(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903090901 1317650743 /nfs/dbraw/zinc/65/07/43/1317650743.db2.gz IWYWBMYPPCVREY-ZNXRZULTSA-N 2 1 349.519 3.133 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C3)cc1 ZINC000903264933 1317682389 /nfs/dbraw/zinc/68/23/89/1317682389.db2.gz KEBQJGCZIHNARG-ADAARDCZSA-N 2 1 326.484 3.339 20 0 EGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)s1 ZINC000903739764 1317728539 /nfs/dbraw/zinc/72/85/39/1317728539.db2.gz OYQUGCYXCXFSNT-GJZGRUSLSA-N 2 1 337.533 3.165 20 0 EGADMP CC1(C)[C@H](c2ccccc2F)CC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903778186 1317731675 /nfs/dbraw/zinc/73/16/75/1317731675.db2.gz KEXMDDHYZBSPLS-SYNHAJSKSA-N 2 1 332.463 3.162 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])CC(F)F)cc1Br ZINC000903919530 1317749278 /nfs/dbraw/zinc/74/92/78/1317749278.db2.gz DLHLIIOOOLKMOV-PSASIEDQSA-N 2 1 337.208 3.091 20 0 EGADMP FC(F)(F)c1ccc(C[N@@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903816162 1317738233 /nfs/dbraw/zinc/73/82/33/1317738233.db2.gz SRHLEVDYIYFXEH-UHFFFAOYSA-N 2 1 328.378 3.050 20 0 EGADMP FC(F)(F)c1ccc(C[N@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903816162 1317738237 /nfs/dbraw/zinc/73/82/37/1317738237.db2.gz SRHLEVDYIYFXEH-UHFFFAOYSA-N 2 1 328.378 3.050 20 0 EGADMP COc1ccc([C@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000903879058 1317740467 /nfs/dbraw/zinc/74/04/67/1317740467.db2.gz QZLGTBBYBRZRAQ-NXCDMZCRSA-N 2 1 330.472 3.371 20 0 EGADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000903900110 1317745069 /nfs/dbraw/zinc/74/50/69/1317745069.db2.gz YPUMZZHCMANDDM-MSOLQXFVSA-N 2 1 331.508 3.137 20 0 EGADMP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@H]3C[NH2+]CC4(CCOCC4)C3)C2)cc1 ZINC000903970312 1317758583 /nfs/dbraw/zinc/75/85/83/1317758583.db2.gz UXCVGFLQSCXHRV-SLFFLAALSA-N 2 1 328.500 3.146 20 0 EGADMP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3C[NH2+]CC4(CCOCC4)C3)C2)cc1 ZINC000903970313 1317758663 /nfs/dbraw/zinc/75/86/63/1317758663.db2.gz UXCVGFLQSCXHRV-UFYCRDLUSA-N 2 1 328.500 3.146 20 0 EGADMP C[NH+](C)CCOc1ccccc1-c1noc(C[N@@H+](C)CC(C)(C)C)n1 ZINC000904005333 1317766267 /nfs/dbraw/zinc/76/62/67/1317766267.db2.gz ZAONSDCZTYSVFN-UHFFFAOYSA-N 2 1 346.475 3.155 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001020591429 1317791717 /nfs/dbraw/zinc/79/17/17/1317791717.db2.gz NLBHFYHOQCJSRY-IYARVYRRSA-N 2 1 349.563 3.172 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001020591956 1317792236 /nfs/dbraw/zinc/79/22/36/1317792236.db2.gz XJNKYZIUTJVJKL-BZSNNMDCSA-N 2 1 343.515 3.025 20 0 EGADMP C[C@]1(CN2CCC[N@@H+](CCCc3ccccc3)CC2)CCC[NH2+]C1 ZINC000904302567 1317827148 /nfs/dbraw/zinc/82/71/48/1317827148.db2.gz YBDFFMGKDFEAOG-NRFANRHFSA-N 2 1 329.532 3.017 20 0 EGADMP COc1cccc(C[N@H+](C[C@H]2CCCO2)C[C@]2(C)CCC[NH2+]C2)c1 ZINC000904313659 1317828708 /nfs/dbraw/zinc/82/87/08/1317828708.db2.gz JFYBHTJDHBFKPM-WOJBJXKFSA-N 2 1 332.488 3.066 20 0 EGADMP COc1cccc(C[N@@H+](C[C@H]2CCCO2)C[C@]2(C)CCC[NH2+]C2)c1 ZINC000904313659 1317828717 /nfs/dbraw/zinc/82/87/17/1317828717.db2.gz JFYBHTJDHBFKPM-WOJBJXKFSA-N 2 1 332.488 3.066 20 0 EGADMP CC[C@H](C)C[C@@H]([NH3+])c1nc(-c2cccc(Cn3ccnc3)c2)no1 ZINC000904558750 1317862042 /nfs/dbraw/zinc/86/20/42/1317862042.db2.gz VMSIEXHDUWBXRG-XJKSGUPXSA-N 2 1 325.416 3.417 20 0 EGADMP CC(C)([NH3+])c1ccc(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000904602098 1317867387 /nfs/dbraw/zinc/86/73/87/1317867387.db2.gz KXECDQYTNPTMQB-DLBZAZTESA-N 2 1 330.476 3.019 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904665979 1317879307 /nfs/dbraw/zinc/87/93/07/1317879307.db2.gz QCQVDJQBGDQOOV-UHFFFAOYSA-N 2 1 332.492 3.121 20 0 EGADMP Cc1cccc([C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000905095267 1317923302 /nfs/dbraw/zinc/92/33/02/1317923302.db2.gz DCQKWNSPQGCOGA-IRLDBZIGSA-N 2 1 338.495 3.183 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000810255240 1317988262 /nfs/dbraw/zinc/98/82/62/1317988262.db2.gz XXAFXZUWPHOMCS-QGZVFWFLSA-N 2 1 332.536 3.040 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000810255240 1317988267 /nfs/dbraw/zinc/98/82/67/1317988267.db2.gz XXAFXZUWPHOMCS-QGZVFWFLSA-N 2 1 332.536 3.040 20 0 EGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000810259607 1317988929 /nfs/dbraw/zinc/98/89/29/1317988929.db2.gz NFUSBTUZVPYKRN-IAGOWNOFSA-N 2 1 341.540 3.486 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000810259607 1317988938 /nfs/dbraw/zinc/98/89/38/1317988938.db2.gz NFUSBTUZVPYKRN-IAGOWNOFSA-N 2 1 341.540 3.486 20 0 EGADMP O[C@H](C[N@H+](CCc1ccccc1)Cc1ccccc1)C[NH+]1CCCC1 ZINC000906641647 1318132568 /nfs/dbraw/zinc/13/25/68/1318132568.db2.gz YELVLIDCMUKIHT-QFIPXVFZSA-N 2 1 338.495 3.188 20 0 EGADMP O[C@H](C[N@@H+](CCc1ccccc1)Cc1ccccc1)C[NH+]1CCCC1 ZINC000906641647 1318132574 /nfs/dbraw/zinc/13/25/74/1318132574.db2.gz YELVLIDCMUKIHT-QFIPXVFZSA-N 2 1 338.495 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000906927717 1318164511 /nfs/dbraw/zinc/16/45/11/1318164511.db2.gz GHAVVGLEIGSERC-LMDPOFIKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCCC2CCC2)C1 ZINC001021380786 1318223874 /nfs/dbraw/zinc/22/38/74/1318223874.db2.gz VQAQVRGDVSINKT-OHSMVPPVSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC2CCC2)C1 ZINC001021380786 1318223882 /nfs/dbraw/zinc/22/38/82/1318223882.db2.gz VQAQVRGDVSINKT-OHSMVPPVSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC2CCC2)C1 ZINC001021380786 1318223892 /nfs/dbraw/zinc/22/38/92/1318223892.db2.gz VQAQVRGDVSINKT-OHSMVPPVSA-N 2 1 347.547 3.020 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCCC2CCC2)C1 ZINC001021438253 1318250254 /nfs/dbraw/zinc/25/02/54/1318250254.db2.gz RHJVNOBTDNWUES-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC2CCC2)C1 ZINC001021438253 1318250261 /nfs/dbraw/zinc/25/02/61/1318250261.db2.gz RHJVNOBTDNWUES-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC2CCC2)C1 ZINC001021438253 1318250270 /nfs/dbraw/zinc/25/02/70/1318250270.db2.gz RHJVNOBTDNWUES-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC000960007329 1318310230 /nfs/dbraw/zinc/31/02/30/1318310230.db2.gz NUMOUYIFRCEUSG-ROUUACIJSA-N 2 1 349.544 3.092 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC000960032786 1318320398 /nfs/dbraw/zinc/32/03/98/1318320398.db2.gz GWBMOQIUYXTAJX-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC1(C)CC(C[NH2+]C[C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000960132660 1318373186 /nfs/dbraw/zinc/37/31/86/1318373186.db2.gz XFMUNOJLYBYNPB-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP Oc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCC2 ZINC000812718463 1318444262 /nfs/dbraw/zinc/44/42/62/1318444262.db2.gz LIORZTAEQAQXKM-QUCCMNQESA-N 2 1 330.472 3.003 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC ZINC000960324170 1318461220 /nfs/dbraw/zinc/46/12/20/1318461220.db2.gz LIFFHYANTZSRAU-HSALFYBXSA-N 2 1 343.515 3.033 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666564 1318529457 /nfs/dbraw/zinc/52/94/57/1318529457.db2.gz VNTFBVNNLUDWKZ-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682129 1318553034 /nfs/dbraw/zinc/55/30/34/1318553034.db2.gz NKTYUHDKCPJALH-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682129 1318553044 /nfs/dbraw/zinc/55/30/44/1318553044.db2.gz NKTYUHDKCPJALH-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682131 1318553620 /nfs/dbraw/zinc/55/36/20/1318553620.db2.gz NKTYUHDKCPJALH-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001021682131 1318553625 /nfs/dbraw/zinc/55/36/25/1318553625.db2.gz NKTYUHDKCPJALH-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021703932 1318575593 /nfs/dbraw/zinc/57/55/93/1318575593.db2.gz CXAGATXGOBSYAH-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021742118 1318653924 /nfs/dbraw/zinc/65/39/24/1318653924.db2.gz JWTVBIGZAVHPCM-PMACEKPBSA-N 2 1 343.515 3.083 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CC2=CCCCC2)CC[N@H+]1C ZINC000960641777 1318761023 /nfs/dbraw/zinc/76/10/23/1318761023.db2.gz GHDQKQCHDDOJTI-SLFFLAALSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[N@H+](C)CC2=CCCCC2)CC[NH+]1C ZINC000960641777 1318761029 /nfs/dbraw/zinc/76/10/29/1318761029.db2.gz GHDQKQCHDDOJTI-SLFFLAALSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[N@@H+](C)CC2=CCCCC2)CC[NH+]1C ZINC000960641777 1318761038 /nfs/dbraw/zinc/76/10/38/1318761038.db2.gz GHDQKQCHDDOJTI-SLFFLAALSA-N 2 1 347.547 3.140 20 0 EGADMP C[N@H+](Cc1ccsc1)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC000960679787 1318789443 /nfs/dbraw/zinc/78/94/43/1318789443.db2.gz FZBORUMNNDIWQF-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC000960679787 1318789450 /nfs/dbraw/zinc/78/94/50/1318789450.db2.gz FZBORUMNNDIWQF-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC000960679787 1318789456 /nfs/dbraw/zinc/78/94/56/1318789456.db2.gz FZBORUMNNDIWQF-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1)c1ccccc1 ZINC001022106461 1318797076 /nfs/dbraw/zinc/79/70/76/1318797076.db2.gz JDQCRWNJUIVDTG-LJDSDSDDSA-N 2 1 343.515 3.105 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]2C[NH+](C)CC2CCCC2)C1 ZINC000960811561 1318928441 /nfs/dbraw/zinc/92/84/41/1318928441.db2.gz BVYVCOBHNUHTDU-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@H]2C[N@H+](C)CC2CCCC2)C1 ZINC000960811561 1318928450 /nfs/dbraw/zinc/92/84/50/1318928450.db2.gz BVYVCOBHNUHTDU-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCCC2)C1 ZINC000960811561 1318928463 /nfs/dbraw/zinc/92/84/63/1318928463.db2.gz BVYVCOBHNUHTDU-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H](CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1)n1ccnc1 ZINC000960905029 1319046283 /nfs/dbraw/zinc/04/62/83/1319046283.db2.gz UUJNNUMVEAMIHE-SJLPKXTDSA-N 2 1 346.519 3.193 20 0 EGADMP CC(C)c1nccn1CCC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC000960911925 1319057835 /nfs/dbraw/zinc/05/78/35/1319057835.db2.gz AKCFKQBQSOEOBP-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1 ZINC000960911925 1319057839 /nfs/dbraw/zinc/05/78/39/1319057839.db2.gz AKCFKQBQSOEOBP-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC000960911925 1319057845 /nfs/dbraw/zinc/05/78/45/1319057845.db2.gz AKCFKQBQSOEOBP-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCCC2)CC1 ZINC000960957137 1319086517 /nfs/dbraw/zinc/08/65/17/1319086517.db2.gz GDEFGSSMVKKHPQ-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+](C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH]cn1)CC1CCCCC1 ZINC000960985549 1319117456 /nfs/dbraw/zinc/11/74/56/1319117456.db2.gz YHSLQIFKWXZVHI-KRWDZBQOSA-N 2 1 346.519 3.190 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH]cn1)CC1CCCCC1 ZINC000960985549 1319117461 /nfs/dbraw/zinc/11/74/61/1319117461.db2.gz YHSLQIFKWXZVHI-KRWDZBQOSA-N 2 1 346.519 3.190 20 0 EGADMP CC(C)[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961157793 1319279815 /nfs/dbraw/zinc/27/98/15/1319279815.db2.gz OEZJLTLSGRZUHZ-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(CF)cc3)CC2)CC1 ZINC000817284989 1319315600 /nfs/dbraw/zinc/31/56/00/1319315600.db2.gz CUANHBFTHIBPGM-UHFFFAOYSA-N 2 1 333.495 3.148 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1OC(=O)CC ZINC000817865687 1319449007 /nfs/dbraw/zinc/44/90/07/1319449007.db2.gz XEFGOVKGSVYMPV-VYDXJSESSA-N 2 1 348.487 3.206 20 0 EGADMP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000817893075 1319453529 /nfs/dbraw/zinc/45/35/29/1319453529.db2.gz DJDSFUYHNVJJJC-ORYQWCPZSA-N 2 1 342.483 3.055 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000817927869 1319462602 /nfs/dbraw/zinc/46/26/02/1319462602.db2.gz RPYYWHIMQROISG-JBBXEZCESA-N 2 1 336.838 3.061 20 0 EGADMP CC[NH2+]CCCN[C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000817943771 1319472001 /nfs/dbraw/zinc/47/20/01/1319472001.db2.gz SNZIAADRZWJVKU-KRWDZBQOSA-N 2 1 333.520 3.331 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414261 1319518655 /nfs/dbraw/zinc/51/86/55/1319518655.db2.gz PAIGJXDMBZHGGO-ICSRJNTNSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414261 1319518660 /nfs/dbraw/zinc/51/86/60/1319518660.db2.gz PAIGJXDMBZHGGO-ICSRJNTNSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414261 1319518666 /nfs/dbraw/zinc/51/86/66/1319518666.db2.gz PAIGJXDMBZHGGO-ICSRJNTNSA-N 2 1 347.547 3.188 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023414244 1319518904 /nfs/dbraw/zinc/51/89/04/1319518904.db2.gz ONORYYPIFLCBIH-MSOLQXFVSA-N 2 1 346.519 3.025 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023414244 1319518910 /nfs/dbraw/zinc/51/89/10/1319518910.db2.gz ONORYYPIFLCBIH-MSOLQXFVSA-N 2 1 346.519 3.025 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+](C(C)C)C3)CC2)CC[N@H+]1C ZINC000961365944 1319521837 /nfs/dbraw/zinc/52/18/37/1319521837.db2.gz GMQBFKHYTCDHPK-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CCC[N@@H+](C(C)C)C3)CC2)CC[NH+]1C ZINC000961365944 1319521843 /nfs/dbraw/zinc/52/18/43/1319521843.db2.gz GMQBFKHYTCDHPK-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CCC[N@H+](C(C)C)C3)CC2)CC[NH+]1C ZINC000961365944 1319521848 /nfs/dbraw/zinc/52/18/48/1319521848.db2.gz GMQBFKHYTCDHPK-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961366544 1319521863 /nfs/dbraw/zinc/52/18/63/1319521863.db2.gz IPOUEKGSWJOHPX-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000961366544 1319521868 /nfs/dbraw/zinc/52/18/68/1319521868.db2.gz IPOUEKGSWJOHPX-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000961366544 1319521874 /nfs/dbraw/zinc/52/18/74/1319521874.db2.gz IPOUEKGSWJOHPX-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961373348 1319530238 /nfs/dbraw/zinc/53/02/38/1319530238.db2.gz GVLGSFDZROVMTH-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961373348 1319530242 /nfs/dbraw/zinc/53/02/42/1319530242.db2.gz GVLGSFDZROVMTH-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000961373348 1319530245 /nfs/dbraw/zinc/53/02/45/1319530245.db2.gz GVLGSFDZROVMTH-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cc(=O)oc2c1C ZINC000818341216 1319531204 /nfs/dbraw/zinc/53/12/04/1319531204.db2.gz WYQMTGLLOIZLFK-OAHLLOKOSA-N 2 1 340.467 3.374 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC000961397720 1319554037 /nfs/dbraw/zinc/55/40/37/1319554037.db2.gz VRGJGIZEMAFXNL-IHPCNDPISA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC000961397720 1319554043 /nfs/dbraw/zinc/55/40/43/1319554043.db2.gz VRGJGIZEMAFXNL-IHPCNDPISA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000961397720 1319554047 /nfs/dbraw/zinc/55/40/47/1319554047.db2.gz VRGJGIZEMAFXNL-IHPCNDPISA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)c2c(F)cccc2F)C1 ZINC000818960401 1319590045 /nfs/dbraw/zinc/59/00/45/1319590045.db2.gz YXZKHNBBQDAJLK-RHSMWYFYSA-N 2 1 326.431 3.100 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000818964961 1319595660 /nfs/dbraw/zinc/59/56/60/1319595660.db2.gz AUEIHFCUCAPVTN-BDJLRTHQSA-N 2 1 342.270 3.458 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000818980422 1319602777 /nfs/dbraw/zinc/60/27/77/1319602777.db2.gz KCJZWKYHONVMBJ-QGZVFWFLSA-N 2 1 328.859 3.223 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+](CC3CCCC3)C2)C1 ZINC001023548137 1319658026 /nfs/dbraw/zinc/65/80/26/1319658026.db2.gz BNMCBZNXSLBWLU-WOJBJXKFSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@H+](CC3CCCC3)C2)C1 ZINC001023548137 1319658038 /nfs/dbraw/zinc/65/80/38/1319658038.db2.gz BNMCBZNXSLBWLU-WOJBJXKFSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CC3CCCC3)C2)C1 ZINC001023548137 1319658049 /nfs/dbraw/zinc/65/80/49/1319658049.db2.gz BNMCBZNXSLBWLU-WOJBJXKFSA-N 2 1 349.563 3.127 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C1=CC[N@@H+](C)CC1 ZINC000819220513 1319672657 /nfs/dbraw/zinc/67/26/57/1319672657.db2.gz PGTQNSIGTCXQPO-BZNIZROVSA-N 2 1 329.271 3.267 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1 ZINC001023695443 1319820656 /nfs/dbraw/zinc/82/06/56/1319820656.db2.gz BASULCWULZYDBP-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001023695443 1319820665 /nfs/dbraw/zinc/82/06/65/1319820665.db2.gz BASULCWULZYDBP-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001023695443 1319820677 /nfs/dbraw/zinc/82/06/77/1319820677.db2.gz BASULCWULZYDBP-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001023749965 1319895319 /nfs/dbraw/zinc/89/53/19/1319895319.db2.gz DLRQTPDUDIFVCO-VQTJNVASSA-N 2 1 349.563 3.127 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001023749965 1319895324 /nfs/dbraw/zinc/89/53/24/1319895324.db2.gz DLRQTPDUDIFVCO-VQTJNVASSA-N 2 1 349.563 3.127 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001023749965 1319895334 /nfs/dbraw/zinc/89/53/34/1319895334.db2.gz DLRQTPDUDIFVCO-VQTJNVASSA-N 2 1 349.563 3.127 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000917998397 1319902383 /nfs/dbraw/zinc/90/23/83/1319902383.db2.gz KJOPXILWCBMBSZ-OAHLLOKOSA-N 2 1 340.496 3.494 20 0 EGADMP CN(C)c1ncc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c2ccccc21 ZINC000930602320 1328910937 /nfs/dbraw/zinc/91/09/37/1328910937.db2.gz PVXNUAMVOLQNGZ-NRFANRHFSA-N 2 1 338.499 3.219 20 0 EGADMP CN(C)c1ncc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c2ccccc21 ZINC000930602320 1328910944 /nfs/dbraw/zinc/91/09/44/1328910944.db2.gz PVXNUAMVOLQNGZ-NRFANRHFSA-N 2 1 338.499 3.219 20 0 EGADMP CN(C)c1ncc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c2ccccc21 ZINC000930602320 1328910948 /nfs/dbraw/zinc/91/09/48/1328910948.db2.gz PVXNUAMVOLQNGZ-NRFANRHFSA-N 2 1 338.499 3.219 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](O)c1c(F)cccc1Cl ZINC000838966824 1320844518 /nfs/dbraw/zinc/84/45/18/1320844518.db2.gz HRDBTFFRPPWEMN-APPDUMDISA-N 2 1 326.843 3.117 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000840810036 1321154284 /nfs/dbraw/zinc/15/42/84/1321154284.db2.gz NPYGCSBTQUTERW-SJORKVTESA-N 2 1 345.487 3.416 20 0 EGADMP CCOc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccc1OC(=O)CC ZINC000840873740 1321166696 /nfs/dbraw/zinc/16/66/96/1321166696.db2.gz VBOPMEYNNAINCS-UHFFFAOYSA-N 2 1 348.487 3.363 20 0 EGADMP CC(C)n1ncc2cc(C[NH2+]C[C@]3(C)CCC[NH2+]C3)c(Cl)nc21 ZINC000841056069 1321211137 /nfs/dbraw/zinc/21/11/37/1321211137.db2.gz BLEWGKWQVJUSNZ-QGZVFWFLSA-N 2 1 335.883 3.145 20 0 EGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000841056720 1321211146 /nfs/dbraw/zinc/21/11/46/1321211146.db2.gz BOWUWSFDLIJXRP-JKSUJKDBSA-N 2 1 332.879 3.253 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)c2ccc(F)cc2F)cc1 ZINC000859212951 1328947359 /nfs/dbraw/zinc/94/73/59/1328947359.db2.gz CYPSLNPCWBNRFN-LJQANCHMSA-N 2 1 334.410 3.192 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCC(=O)OCc2ccccc2)cc1 ZINC000859213556 1328948218 /nfs/dbraw/zinc/94/82/18/1328948218.db2.gz XFYALGDRBDXROT-UHFFFAOYSA-N 2 1 340.467 3.314 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(-c2nc([C@H]3CCC[NH2+]C3)no2)cc1 ZINC000842667184 1321415239 /nfs/dbraw/zinc/41/52/39/1321415239.db2.gz ISNAWQUCUIFNKE-KRWDZBQOSA-N 2 1 328.460 3.436 20 0 EGADMP C[N@@H+](Cc1cnn(Cc2ccccc2Cl)c1)C1CCC([NH3+])CC1 ZINC000843056075 1321462989 /nfs/dbraw/zinc/46/29/89/1321462989.db2.gz XPDRHODTVDISKL-UHFFFAOYSA-N 2 1 332.879 3.287 20 0 EGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843112649 1321472701 /nfs/dbraw/zinc/47/27/01/1321472701.db2.gz KMQYCPNRSGTXKC-KRWDZBQOSA-N 2 1 346.906 3.454 20 0 EGADMP Fc1cccc(C[N@H+]2CCC[C@H](c3nc(C4CC[NH2+]CC4)no3)C2)c1 ZINC000843138218 1321475819 /nfs/dbraw/zinc/47/58/19/1321475819.db2.gz PNORIUVGEBSXRZ-INIZCTEOSA-N 2 1 344.434 3.055 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000843353076 1321504292 /nfs/dbraw/zinc/50/42/92/1321504292.db2.gz ASGMOBFYUHBHDI-DAYGRLMNSA-N 2 1 325.456 3.226 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000843353076 1321504294 /nfs/dbraw/zinc/50/42/94/1321504294.db2.gz ASGMOBFYUHBHDI-DAYGRLMNSA-N 2 1 325.456 3.226 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C[C@@H]21 ZINC000843368153 1321507522 /nfs/dbraw/zinc/50/75/22/1321507522.db2.gz KKQDPNUSCIWIHU-HLAWJBBLSA-N 2 1 349.478 3.351 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C[C@@H]21 ZINC000843368153 1321507531 /nfs/dbraw/zinc/50/75/31/1321507531.db2.gz KKQDPNUSCIWIHU-HLAWJBBLSA-N 2 1 349.478 3.351 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845926782 1321754975 /nfs/dbraw/zinc/75/49/75/1321754975.db2.gz RGVMTHZUECHTPK-AQFXKWCLSA-N 2 1 339.524 3.001 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000848550177 1321974742 /nfs/dbraw/zinc/97/47/42/1321974742.db2.gz FCGMBTZNBZNWMX-ARFHVFGLSA-N 2 1 327.513 3.141 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000848550177 1321974748 /nfs/dbraw/zinc/97/47/48/1321974748.db2.gz FCGMBTZNBZNWMX-ARFHVFGLSA-N 2 1 327.513 3.141 20 0 EGADMP COC(=O)/C=C\c1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)o1 ZINC000848894843 1322034759 /nfs/dbraw/zinc/03/47/59/1322034759.db2.gz PQTNFFGBUGIRHN-BLIJAFNYSA-N 2 1 334.460 3.210 20 0 EGADMP CCOc1ccc(OCC)c(NC(=[NH2+])NCCCn2cc[nH+]c2C)c1 ZINC000848989277 1322056286 /nfs/dbraw/zinc/05/62/86/1322056286.db2.gz KTJBEXGVUCQENU-UHFFFAOYSA-N 2 1 345.447 3.015 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(-c2ccccc2)o1 ZINC000849070120 1322066180 /nfs/dbraw/zinc/06/61/80/1322066180.db2.gz HLTINDXAAIKDNF-INIZCTEOSA-N 2 1 326.444 3.045 20 0 EGADMP C[NH+](C)C1(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)Cc2ccccc2C1 ZINC000849098518 1322077614 /nfs/dbraw/zinc/07/76/14/1322077614.db2.gz SRFBXABKQJZGOF-UHFFFAOYSA-N 2 1 348.494 3.211 20 0 EGADMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000849101748 1322079592 /nfs/dbraw/zinc/07/95/92/1322079592.db2.gz KGNQHUGUPMOZHG-HNNXBMFYSA-N 2 1 342.409 3.194 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)c2ccccc2F)cc1F ZINC000920425636 1322175960 /nfs/dbraw/zinc/17/59/60/1322175960.db2.gz OIUDLEVBYUXSPB-IBGZPJMESA-N 2 1 343.377 3.282 20 0 EGADMP C[NH+](C)CCC[NH2+]Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000850006692 1322180396 /nfs/dbraw/zinc/18/03/96/1322180396.db2.gz BVDFUGJOIGFBMA-UHFFFAOYSA-N 2 1 347.503 3.021 20 0 EGADMP CC[NH+](CC)CCOc1ccc(NCc2c[nH+]c3n2CCC3)cc1 ZINC000850045318 1322188666 /nfs/dbraw/zinc/18/86/66/1322188666.db2.gz CVWBLRDPBMGIHT-UHFFFAOYSA-N 2 1 328.460 3.162 20 0 EGADMP c1cc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)n(CC2CC2)n1 ZINC000850095399 1322192198 /nfs/dbraw/zinc/19/21/98/1322192198.db2.gz AIHYORZZPVHGHO-UHFFFAOYSA-N 2 1 330.520 3.427 20 0 EGADMP Cc1c(Br)cncc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000850175374 1322202146 /nfs/dbraw/zinc/20/21/46/1322202146.db2.gz XARZLXPUVLHVCH-UONOGXRCSA-N 2 1 326.282 3.115 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850423317 1322245201 /nfs/dbraw/zinc/24/52/01/1322245201.db2.gz TVPNNEUQYPMVBO-GOSISDBHSA-N 2 1 345.531 3.080 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850423318 1322245737 /nfs/dbraw/zinc/24/57/37/1322245737.db2.gz TVPNNEUQYPMVBO-SFHVURJKSA-N 2 1 345.531 3.080 20 0 EGADMP C[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921980597 1322434151 /nfs/dbraw/zinc/43/41/51/1322434151.db2.gz NOLAXSNPUOIFNU-QFBILLFUSA-N 2 1 330.520 3.426 20 0 EGADMP C[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000921980597 1322434155 /nfs/dbraw/zinc/43/41/55/1322434155.db2.gz NOLAXSNPUOIFNU-QFBILLFUSA-N 2 1 330.520 3.426 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)C2 ZINC000922386093 1322515462 /nfs/dbraw/zinc/51/54/62/1322515462.db2.gz FRZMRKFTDPEAIY-BDXSIMOUSA-N 2 1 340.870 3.048 20 0 EGADMP CC(C)c1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1 ZINC000922390078 1322517153 /nfs/dbraw/zinc/51/71/53/1322517153.db2.gz XEVXRLIXTJAGDY-NCYKPQTJSA-N 2 1 330.516 3.379 20 0 EGADMP Cc1c(Cl)cccc1C[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922391134 1322517339 /nfs/dbraw/zinc/51/73/39/1322517339.db2.gz SUNAKIXDWDUWOM-MKXGPGLRSA-N 2 1 336.907 3.218 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)ccc1Cl ZINC000922389914 1322517509 /nfs/dbraw/zinc/51/75/09/1322517509.db2.gz YYDRFAGWXASQQM-YRXWBPOGSA-N 2 1 336.907 3.218 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000922868411 1322636424 /nfs/dbraw/zinc/63/64/24/1322636424.db2.gz AAERICKBTNTRCE-JUSBFGHESA-N 2 1 344.499 3.312 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000922868411 1322636430 /nfs/dbraw/zinc/63/64/30/1322636430.db2.gz AAERICKBTNTRCE-JUSBFGHESA-N 2 1 344.499 3.312 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[NH+](C)CC3)cc1)C(C)C ZINC000923295427 1322727781 /nfs/dbraw/zinc/72/77/81/1322727781.db2.gz WMQFVCMHOACFOU-UXHICEINSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cc1)C(C)C ZINC000923295427 1322727784 /nfs/dbraw/zinc/72/77/84/1322727784.db2.gz WMQFVCMHOACFOU-UXHICEINSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)cc1)C(C)C ZINC000923295427 1322727786 /nfs/dbraw/zinc/72/77/86/1322727786.db2.gz WMQFVCMHOACFOU-UXHICEINSA-N 2 1 343.515 3.226 20 0 EGADMP [NH3+]CC[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000923485241 1322760495 /nfs/dbraw/zinc/76/04/95/1322760495.db2.gz RJSGMIXPBAJZPH-DNVCBOLYSA-N 2 1 341.430 3.176 20 0 EGADMP C[C@]1(Cc2cc(Cl)cs2)CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923531388 1322770670 /nfs/dbraw/zinc/77/06/70/1322770670.db2.gz PKGOSINYQCRUSK-GOEBONIOSA-N 2 1 340.920 3.177 20 0 EGADMP Cc1[nH]c(C2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)CC2)[nH+]c1C ZINC000924316208 1322977419 /nfs/dbraw/zinc/97/74/19/1322977419.db2.gz OKCHEDFLOOELLU-UHFFFAOYSA-N 2 1 346.519 3.387 20 0 EGADMP Cc1[nH]c(C2CCN(C(=O)CC[N@H+](C)C3CCCCC3)CC2)[nH+]c1C ZINC000924316208 1322977421 /nfs/dbraw/zinc/97/74/21/1322977421.db2.gz OKCHEDFLOOELLU-UHFFFAOYSA-N 2 1 346.519 3.387 20 0 EGADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCC[N@@H+](C)Cc2ccccc2)cn1 ZINC000924578531 1323060421 /nfs/dbraw/zinc/06/04/21/1323060421.db2.gz BBAKXRDPBKRZRI-SFTDATJTSA-N 2 1 340.515 3.243 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001023984579 1323064403 /nfs/dbraw/zinc/06/44/03/1323064403.db2.gz GHBHYVRCRSNYJY-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001024019222 1323080503 /nfs/dbraw/zinc/08/05/03/1323080503.db2.gz WQQHWAVZXFBUSA-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000924629744 1323084296 /nfs/dbraw/zinc/08/42/96/1323084296.db2.gz XHEDIIJXDLGOMR-YWZLYKJASA-N 2 1 349.494 3.101 20 0 EGADMP C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000924645941 1323090952 /nfs/dbraw/zinc/09/09/52/1323090952.db2.gz PJADCIMSKCRXSV-MRXNPFEDSA-N 2 1 335.455 3.180 20 0 EGADMP CCNC(=O)c1ccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)cc1 ZINC000924677308 1323107599 /nfs/dbraw/zinc/10/75/99/1323107599.db2.gz ZKQRPMDBHRQULA-UHFFFAOYSA-N 2 1 331.504 3.036 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2cccc(N3CCOC3=O)c2)CC1 ZINC000924735037 1323139960 /nfs/dbraw/zinc/13/99/60/1323139960.db2.gz BDEVLCDVFJSDIE-UHFFFAOYSA-N 2 1 345.487 3.243 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccc(Br)n1 ZINC000924947768 1323223609 /nfs/dbraw/zinc/22/36/09/1323223609.db2.gz AVKFOJHSOURUIP-VXGBXAGGSA-N 2 1 337.265 3.336 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cc(=O)oc2c1 ZINC000852754140 1323236371 /nfs/dbraw/zinc/23/63/71/1323236371.db2.gz QLDIPVBHEDGMNU-KRWDZBQOSA-N 2 1 340.467 3.313 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C3(Cl)CC3)CC2)oc1C ZINC000925037299 1323252847 /nfs/dbraw/zinc/25/28/47/1323252847.db2.gz JORUWBZAZZTWKA-CQSZACIVSA-N 2 1 325.884 3.253 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCC(C)(C)CC1 ZINC001024366389 1323341295 /nfs/dbraw/zinc/34/12/95/1323341295.db2.gz RCRGZOICLODPQA-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001024366389 1323341297 /nfs/dbraw/zinc/34/12/97/1323341297.db2.gz RCRGZOICLODPQA-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCC(C)(C)CC1 ZINC001024366389 1323341303 /nfs/dbraw/zinc/34/13/03/1323341303.db2.gz RCRGZOICLODPQA-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024437339 1323398277 /nfs/dbraw/zinc/39/82/77/1323398277.db2.gz QQTSXTWBQBENBM-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1=CCCCC1 ZINC001024437339 1323398282 /nfs/dbraw/zinc/39/82/82/1323398282.db2.gz QQTSXTWBQBENBM-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1=CCCCC1 ZINC001024437339 1323398287 /nfs/dbraw/zinc/39/82/87/1323398287.db2.gz QQTSXTWBQBENBM-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCC2=CCCCC2)CC[N@H+]1C ZINC001024446943 1323406124 /nfs/dbraw/zinc/40/61/24/1323406124.db2.gz LVKOYUFKBMCPEV-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCC2=CCCCC2)CC[NH+]1C ZINC001024446943 1323406129 /nfs/dbraw/zinc/40/61/29/1323406129.db2.gz LVKOYUFKBMCPEV-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCC2=CCCCC2)CC[NH+]1C ZINC001024446943 1323406130 /nfs/dbraw/zinc/40/61/30/1323406130.db2.gz LVKOYUFKBMCPEV-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479174 1323430871 /nfs/dbraw/zinc/43/08/71/1323430871.db2.gz AZPFFEWGBXONRW-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479174 1323430875 /nfs/dbraw/zinc/43/08/75/1323430875.db2.gz AZPFFEWGBXONRW-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479174 1323430877 /nfs/dbraw/zinc/43/08/77/1323430877.db2.gz AZPFFEWGBXONRW-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCCC1 ZINC001024513425 1323463936 /nfs/dbraw/zinc/46/39/36/1323463936.db2.gz PTCCGYKDCCDACS-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC1CCCC1 ZINC001024513425 1323463938 /nfs/dbraw/zinc/46/39/38/1323463938.db2.gz PTCCGYKDCCDACS-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCC1CCCC1 ZINC001024513425 1323463940 /nfs/dbraw/zinc/46/39/40/1323463940.db2.gz PTCCGYKDCCDACS-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024737625 1323637086 /nfs/dbraw/zinc/63/70/86/1323637086.db2.gz KPNPOCLDWSLCAQ-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750388 1323652931 /nfs/dbraw/zinc/65/29/31/1323652931.db2.gz QDMWYAJQUHZQTO-HXUWFJFHSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001024979767 1323812455 /nfs/dbraw/zinc/81/24/55/1323812455.db2.gz YISWUFSRFOFGMP-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001024989305 1323814293 /nfs/dbraw/zinc/81/42/93/1323814293.db2.gz GCGAIVKWBNVJIQ-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001024989320 1323814657 /nfs/dbraw/zinc/81/46/57/1323814657.db2.gz GWBMOQIUYXTAJX-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001025168428 1323936893 /nfs/dbraw/zinc/93/68/93/1323936893.db2.gz DLPMVQVSARGAOA-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240666 1324034536 /nfs/dbraw/zinc/03/45/36/1324034536.db2.gz PZWUUIJXABAYDN-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025240666 1324034542 /nfs/dbraw/zinc/03/45/42/1324034542.db2.gz PZWUUIJXABAYDN-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025240666 1324034547 /nfs/dbraw/zinc/03/45/47/1324034547.db2.gz PZWUUIJXABAYDN-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025258661 1324067471 /nfs/dbraw/zinc/06/74/71/1324067471.db2.gz LGBYJXOBQUYIGC-RTBURBONSA-N 2 1 349.563 3.362 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001025279335 1324100968 /nfs/dbraw/zinc/10/09/68/1324100968.db2.gz ZYBJTAITUNRMMC-VQTJNVASSA-N 2 1 343.515 3.227 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294639 1324123630 /nfs/dbraw/zinc/12/36/30/1324123630.db2.gz LYYDPQKLAVEWOM-OALUTQOASA-N 2 1 344.503 3.003 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294639 1324123634 /nfs/dbraw/zinc/12/36/34/1324123634.db2.gz LYYDPQKLAVEWOM-OALUTQOASA-N 2 1 344.503 3.003 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+]1CCC(C)C ZINC001025297604 1324129917 /nfs/dbraw/zinc/12/99/17/1324129917.db2.gz YYRCEPSLXHXOAU-RBUKOAKNSA-N 2 1 346.519 3.083 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC(C)C ZINC001025297604 1324129920 /nfs/dbraw/zinc/12/99/20/1324129920.db2.gz YYRCEPSLXHXOAU-RBUKOAKNSA-N 2 1 346.519 3.083 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300969 1324134117 /nfs/dbraw/zinc/13/41/17/1324134117.db2.gz GQDVGKQXSMNKHV-OALUTQOASA-N 2 1 335.536 3.118 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025494167 1324345877 /nfs/dbraw/zinc/34/58/77/1324345877.db2.gz VAVDUUDJIOYEGA-MJGOQNOKSA-N 2 1 345.531 3.031 20 0 EGADMP COC(=O)[C@@H]1CCCC[C@H]1C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000931748043 1329176438 /nfs/dbraw/zinc/17/64/38/1329176438.db2.gz HOGFWYLTNNEWQB-DLBZAZTESA-N 2 1 333.476 3.185 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001026492755 1324846970 /nfs/dbraw/zinc/84/69/70/1324846970.db2.gz XBIQGXHRGQELNQ-SOAGJPPSSA-N 2 1 347.547 3.377 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NC2CCC([NH2+]CCC3CCCC3)CC2)C1 ZINC001026560631 1324896634 /nfs/dbraw/zinc/89/66/34/1324896634.db2.gz ZQWCMJJPJXHKET-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]CCC3CCCCCC3)CC2)C1 ZINC001026605140 1324928182 /nfs/dbraw/zinc/92/81/82/1324928182.db2.gz FFCIUMNNOBEQSO-XEVCZEQESA-N 2 1 349.563 3.316 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001026856155 1325044342 /nfs/dbraw/zinc/04/43/42/1325044342.db2.gz UCFGDJNIRAZHOK-AEFFLSMTSA-N 2 1 346.519 3.025 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]CC3CCCCCC3)C2)CC[N@H+]1C ZINC001026856320 1325044927 /nfs/dbraw/zinc/04/49/27/1325044927.db2.gz XQGWRHKHBDOCFD-HSALFYBXSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000925115876 1325052045 /nfs/dbraw/zinc/05/20/45/1325052045.db2.gz VENVWXRVVVMHRF-ZHALLVOQSA-N 2 1 343.515 3.297 20 0 EGADMP CCO[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)C1CCCC1 ZINC000925205454 1325079718 /nfs/dbraw/zinc/07/97/18/1325079718.db2.gz IWARNIJCZSDWGI-RAFMOHDBSA-N 2 1 338.536 3.203 20 0 EGADMP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000925219589 1325085012 /nfs/dbraw/zinc/08/50/12/1325085012.db2.gz DTOJTZBKFMQYFM-CQSZACIVSA-N 2 1 343.471 3.099 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328704 1325113720 /nfs/dbraw/zinc/11/37/20/1325113720.db2.gz RTRWEPYXSUGLMH-MOPGFXCFSA-N 2 1 347.547 3.118 20 0 EGADMP CCc1cccc2c1OCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000925360388 1325129093 /nfs/dbraw/zinc/12/90/93/1325129093.db2.gz IDIJFBTWXTZVKN-DLZDZTESSA-N 2 1 344.499 3.304 20 0 EGADMP CCc1cccc2c1OCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925360388 1325129099 /nfs/dbraw/zinc/12/90/99/1325129099.db2.gz IDIJFBTWXTZVKN-DLZDZTESSA-N 2 1 344.499 3.304 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963345016 1325135311 /nfs/dbraw/zinc/13/53/11/1325135311.db2.gz CLSGESLVRMBAMN-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP COc1ccc(Oc2cc(C[NH2+][C@@H]3C[C@@H]([NH3+])C34CCC4)ccn2)cc1 ZINC000925472669 1325166458 /nfs/dbraw/zinc/16/64/58/1325166458.db2.gz FTKHQDNKSDMHDC-QZTJIDSGSA-N 2 1 339.439 3.242 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cnn1-c1ccc(F)cc1 ZINC000925510914 1325184204 /nfs/dbraw/zinc/18/42/04/1325184204.db2.gz BVGCTXYKFVVSCQ-RZAIGCCYSA-N 2 1 328.435 3.240 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925556076 1325207440 /nfs/dbraw/zinc/20/74/40/1325207440.db2.gz JTLXPDMOSMBOPR-LHDHZVESSA-N 2 1 327.516 3.003 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(CN[C@@H]2CC[NH2+]C23CCCC3)cc1F ZINC000925566273 1325213089 /nfs/dbraw/zinc/21/30/89/1325213089.db2.gz ALUSFDHAMJSIEW-GOSISDBHSA-N 2 1 328.435 3.084 20 0 EGADMP O=C(C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)Nc1ccc(Cl)cc1 ZINC000925571667 1325215665 /nfs/dbraw/zinc/21/56/65/1325215665.db2.gz FRSVUQSAQNRVBK-IAGOWNOFSA-N 2 1 335.879 3.036 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001027104211 1325228901 /nfs/dbraw/zinc/22/89/01/1325228901.db2.gz NCUJAHFUQNZROU-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP Clc1ncccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000854220062 1325230494 /nfs/dbraw/zinc/23/04/94/1325230494.db2.gz YSVHQELYCKSVQV-QAPCUYQASA-N 2 1 329.831 3.081 20 0 EGADMP c1ccc([C@@H]2CCCC[C@H]2[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925801045 1325307941 /nfs/dbraw/zinc/30/79/41/1325307941.db2.gz YVSVPJGPXUDJRU-SLFFLAALSA-N 2 1 328.500 3.461 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CCC([NH2+]Cc2ccccc2)CC1 ZINC000963565291 1325322324 /nfs/dbraw/zinc/32/23/24/1325322324.db2.gz YZSSKQXGFLGINK-SOAGJPPSSA-N 2 1 343.515 3.030 20 0 EGADMP CCN(C)C(=O)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926263131 1325494556 /nfs/dbraw/zinc/49/45/56/1325494556.db2.gz OGWORHMBXJVEIM-VOBGVNJCSA-N 2 1 343.515 3.029 20 0 EGADMP CCN(C)C(=O)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926263131 1325494563 /nfs/dbraw/zinc/49/45/63/1325494563.db2.gz OGWORHMBXJVEIM-VOBGVNJCSA-N 2 1 343.515 3.029 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC001027430582 1327669823 /nfs/dbraw/zinc/66/98/23/1327669823.db2.gz SWUDGIIDOAJSBC-QGZVFWFLSA-N 2 1 349.544 3.146 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1C ZINC000926903582 1327766341 /nfs/dbraw/zinc/76/63/41/1327766341.db2.gz XENWMYMEYJBYMU-QFBILLFUSA-N 2 1 332.488 3.298 20 0 EGADMP CC(C)[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542072 1327843860 /nfs/dbraw/zinc/84/38/60/1327843860.db2.gz HPPLREADBGSORO-RTBURBONSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027542072 1327843865 /nfs/dbraw/zinc/84/38/65/1327843865.db2.gz HPPLREADBGSORO-RTBURBONSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027542072 1327843872 /nfs/dbraw/zinc/84/38/72/1327843872.db2.gz HPPLREADBGSORO-RTBURBONSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542941 1327847831 /nfs/dbraw/zinc/84/78/31/1327847831.db2.gz VOXRKOSXCWALAU-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027542941 1327847841 /nfs/dbraw/zinc/84/78/41/1327847841.db2.gz VOXRKOSXCWALAU-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027542941 1327847850 /nfs/dbraw/zinc/84/78/50/1327847850.db2.gz VOXRKOSXCWALAU-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001027602196 1327954955 /nfs/dbraw/zinc/95/49/55/1327954955.db2.gz NFPMAEHSZJJBMT-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC[C@@H]([N@@H+](C)CC3CCCCC3)C2)CC1 ZINC001027628730 1327992841 /nfs/dbraw/zinc/99/28/41/1327992841.db2.gz JLSJCRWSPDJTAK-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CCC1CCCCC1)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027650926 1328032879 /nfs/dbraw/zinc/03/28/79/1328032879.db2.gz KGTWUOLLXPFUCO-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCCC1)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001027650926 1328032887 /nfs/dbraw/zinc/03/28/87/1328032887.db2.gz KGTWUOLLXPFUCO-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCCC1)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027650926 1328032899 /nfs/dbraw/zinc/03/28/99/1328032899.db2.gz KGTWUOLLXPFUCO-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1)[NH+]1CCCC1 ZINC001027695402 1328102668 /nfs/dbraw/zinc/10/26/68/1328102668.db2.gz UGSJOIYMWWMTTO-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CC[N@H+](CC2CCC2)C[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000966485383 1328317753 /nfs/dbraw/zinc/31/77/53/1328317753.db2.gz BFSDSASRCNEPBE-PBHICJAKSA-N 2 1 349.544 3.050 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2CCC2)C[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000966485383 1328317760 /nfs/dbraw/zinc/31/77/60/1328317760.db2.gz BFSDSASRCNEPBE-PBHICJAKSA-N 2 1 349.544 3.050 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027918444 1328397111 /nfs/dbraw/zinc/39/71/11/1328397111.db2.gz NPNUVZMAANHHRT-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC001027918444 1328397118 /nfs/dbraw/zinc/39/71/18/1328397118.db2.gz NPNUVZMAANHHRT-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCCC1 ZINC001027918444 1328397124 /nfs/dbraw/zinc/39/71/24/1328397124.db2.gz NPNUVZMAANHHRT-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001027918811 1328398161 /nfs/dbraw/zinc/39/81/61/1328398161.db2.gz QIHHNYDVUIMIJJ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001027918811 1328398166 /nfs/dbraw/zinc/39/81/66/1328398166.db2.gz QIHHNYDVUIMIJJ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC001027918811 1328398173 /nfs/dbraw/zinc/39/81/73/1328398173.db2.gz QIHHNYDVUIMIJJ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027931771 1328410606 /nfs/dbraw/zinc/41/06/06/1328410606.db2.gz KJMHKVMMKCMZHW-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001027931771 1328410612 /nfs/dbraw/zinc/41/06/12/1328410612.db2.gz KJMHKVMMKCMZHW-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001027931771 1328410621 /nfs/dbraw/zinc/41/06/21/1328410621.db2.gz KJMHKVMMKCMZHW-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028004253 1328467011 /nfs/dbraw/zinc/46/70/11/1328467011.db2.gz WQRSUNKQQNWFDR-LPHOPBHVSA-N 2 1 348.450 3.290 20 0 EGADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CCO1 ZINC000865804575 1329740099 /nfs/dbraw/zinc/74/00/99/1329740099.db2.gz BFEFCNIBXPLCNZ-KBMXLJTQSA-N 2 1 334.426 3.483 20 0 EGADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CCO1 ZINC000865804575 1329740101 /nfs/dbraw/zinc/74/01/01/1329740101.db2.gz BFEFCNIBXPLCNZ-KBMXLJTQSA-N 2 1 334.426 3.483 20 0 EGADMP C[C@H]1C[C@@H](N(C)C(=O)CC[NH2+]C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000933258940 1329875441 /nfs/dbraw/zinc/87/54/41/1329875441.db2.gz UTJSQCFHTPFLMB-HKUYNNGSSA-N 2 1 345.531 3.276 20 0 EGADMP c1cc(C[N@H+]2CCC[C@H]2C2OCCO2)cc(C[NH+]2CCCCC2)c1 ZINC000933899666 1329931857 /nfs/dbraw/zinc/93/18/57/1329931857.db2.gz FSOFQUZFDNBXIF-IBGZPJMESA-N 2 1 330.472 3.010 20 0 EGADMP C[NH+](C)CCCC(C)(C)NC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000934084198 1329945504 /nfs/dbraw/zinc/94/55/04/1329945504.db2.gz CKLPGWMGKWFTEN-UHFFFAOYSA-N 2 1 347.507 3.314 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccccn1 ZINC000866307078 1330093822 /nfs/dbraw/zinc/09/38/22/1330093822.db2.gz QEHRCPFEKDVBJO-ZCNNSNEGSA-N 2 1 331.504 3.136 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000941244942 1331411517 /nfs/dbraw/zinc/41/15/17/1331411517.db2.gz QISQELWHZJHFGN-SFHVURJKSA-N 2 1 349.519 3.362 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(C)C)C[C@@H]2C)o1 ZINC000945337248 1332560447 /nfs/dbraw/zinc/56/04/47/1332560447.db2.gz VJWWEOBLOZNTOX-FUHWJXTLSA-N 2 1 349.519 3.218 20 0 EGADMP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946728236 1332885794 /nfs/dbraw/zinc/88/57/94/1332885794.db2.gz AEWLRDKINXWXHB-HSALFYBXSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC[C@@H]2C1 ZINC000946728236 1332885796 /nfs/dbraw/zinc/88/57/96/1332885796.db2.gz AEWLRDKINXWXHB-HSALFYBXSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC[C@@H]2C1 ZINC000946728236 1332885798 /nfs/dbraw/zinc/88/57/98/1332885798.db2.gz AEWLRDKINXWXHB-HSALFYBXSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902441 1332928646 /nfs/dbraw/zinc/92/86/46/1332928646.db2.gz PRWWZOJJRPXXRW-LWYYNNOASA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1=CCCCC1 ZINC000947615266 1333193434 /nfs/dbraw/zinc/19/34/34/1333193434.db2.gz GZNZSMDEYIUHKO-PKOBYXMFSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CCCC1CCC1 ZINC000947617393 1333194031 /nfs/dbraw/zinc/19/40/31/1333194031.db2.gz YBCMDNJKBBTAFB-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947722002 1333240912 /nfs/dbraw/zinc/24/09/12/1333240912.db2.gz CRBSAJZATDGOAS-PXNSSMCTSA-N 2 1 345.531 3.174 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947725711 1333241061 /nfs/dbraw/zinc/24/10/61/1333241061.db2.gz CARPCGUFQMIAOU-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947725711 1333241066 /nfs/dbraw/zinc/24/10/66/1333241066.db2.gz CARPCGUFQMIAOU-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947725711 1333241068 /nfs/dbraw/zinc/24/10/68/1333241068.db2.gz CARPCGUFQMIAOU-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771328 1333256783 /nfs/dbraw/zinc/25/67/83/1333256783.db2.gz JRRFKTSFWFQYCQ-DLBZAZTESA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771328 1333256784 /nfs/dbraw/zinc/25/67/84/1333256784.db2.gz JRRFKTSFWFQYCQ-DLBZAZTESA-N 2 1 334.508 3.022 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCC1CCCCC1 ZINC000947934828 1333312463 /nfs/dbraw/zinc/31/24/63/1333312463.db2.gz MPMGSTVYSUVQDP-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000948373978 1333499946 /nfs/dbraw/zinc/49/99/46/1333499946.db2.gz PYHFIBKBLPKNDO-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC000948416464 1333516496 /nfs/dbraw/zinc/51/64/96/1333516496.db2.gz GKPUOHCDONUUDX-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948416464 1333516498 /nfs/dbraw/zinc/51/64/98/1333516498.db2.gz GKPUOHCDONUUDX-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948416464 1333516500 /nfs/dbraw/zinc/51/65/00/1333516500.db2.gz GKPUOHCDONUUDX-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CCC3CC3)CC2)C1 ZINC000948436010 1333523624 /nfs/dbraw/zinc/52/36/24/1333523624.db2.gz RSQKNKHKFNFEBL-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](CCC3CC3)CC2)C1 ZINC000948436010 1333523627 /nfs/dbraw/zinc/52/36/27/1333523627.db2.gz RSQKNKHKFNFEBL-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CCC3CC3)CC2)C1 ZINC000948436010 1333523629 /nfs/dbraw/zinc/52/36/29/1333523629.db2.gz RSQKNKHKFNFEBL-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1c(C(=O)N(C)[C@@H]2CCC[N@H+](CC(C)C)CC2)ccc2c[nH+]cn21 ZINC000948571071 1333582002 /nfs/dbraw/zinc/58/20/02/1333582002.db2.gz YNHXITZLUNLQDA-QGZVFWFLSA-N 2 1 342.487 3.225 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC000948620319 1333599346 /nfs/dbraw/zinc/59/93/46/1333599346.db2.gz DIRVFEJXTSZLBQ-LJQANCHMSA-N 2 1 344.503 3.005 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC000948620319 1333599347 /nfs/dbraw/zinc/59/93/47/1333599347.db2.gz DIRVFEJXTSZLBQ-LJQANCHMSA-N 2 1 344.503 3.005 20 0 EGADMP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948621429 1333600755 /nfs/dbraw/zinc/60/07/55/1333600755.db2.gz PNHMERXLCVOCJF-SFHVURJKSA-N 2 1 340.471 3.061 20 0 EGADMP CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000948706049 1333641119 /nfs/dbraw/zinc/64/11/19/1333641119.db2.gz SOPRZIDDITZZMT-MJGOQNOKSA-N 2 1 335.536 3.116 20 0 EGADMP CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000948706049 1333641122 /nfs/dbraw/zinc/64/11/22/1333641122.db2.gz SOPRZIDDITZZMT-MJGOQNOKSA-N 2 1 335.536 3.116 20 0 EGADMP CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000948706049 1333641125 /nfs/dbraw/zinc/64/11/25/1333641125.db2.gz SOPRZIDDITZZMT-MJGOQNOKSA-N 2 1 335.536 3.116 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000948858584 1333711700 /nfs/dbraw/zinc/71/17/00/1333711700.db2.gz LHQYIBORRGAPBW-AZUAARDMSA-N 2 1 343.515 3.075 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000948858584 1333711702 /nfs/dbraw/zinc/71/17/02/1333711702.db2.gz LHQYIBORRGAPBW-AZUAARDMSA-N 2 1 343.515 3.075 20 0 EGADMP CC(C)[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000948935041 1333739592 /nfs/dbraw/zinc/73/95/92/1333739592.db2.gz CBCBLXJKWVLUAE-FQEVSTJZSA-N 2 1 348.450 3.072 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000951195141 1334203933 /nfs/dbraw/zinc/20/39/33/1334203933.db2.gz FDEORDAPVHUOOB-HXUWFJFHSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000951195141 1334203935 /nfs/dbraw/zinc/20/39/35/1334203935.db2.gz FDEORDAPVHUOOB-HXUWFJFHSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC)C2C[NH+](CC(CC)CC)C2)C1 ZINC000951211857 1334209555 /nfs/dbraw/zinc/20/95/55/1334209555.db2.gz CRJITSHVMHLFBA-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000951362244 1334231194 /nfs/dbraw/zinc/23/11/94/1334231194.db2.gz NLDVOTRGVJUPMQ-LJQANCHMSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000951362244 1334231198 /nfs/dbraw/zinc/23/11/98/1334231198.db2.gz NLDVOTRGVJUPMQ-LJQANCHMSA-N 2 1 335.536 3.116 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967085479 1335658814 /nfs/dbraw/zinc/65/88/14/1335658814.db2.gz KOZVAAIWMKGRPY-HNAYVOBHSA-N 2 1 340.471 3.049 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968053377 1335849302 /nfs/dbraw/zinc/84/93/02/1335849302.db2.gz DCQPQRXGOJCTPS-MAUKXSAKSA-N 2 1 349.519 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968053377 1335849303 /nfs/dbraw/zinc/84/93/03/1335849303.db2.gz DCQPQRXGOJCTPS-MAUKXSAKSA-N 2 1 349.519 3.218 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968673825 1336004833 /nfs/dbraw/zinc/00/48/33/1336004833.db2.gz MNFIIEAEZDVMCL-YLJYHZDGSA-N 2 1 343.515 3.155 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000968732132 1336029592 /nfs/dbraw/zinc/02/95/92/1336029592.db2.gz HGVQHDACPPYTQD-DOTOQJQBSA-N 2 1 346.519 3.023 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCCCC1 ZINC000968782270 1336048601 /nfs/dbraw/zinc/04/86/01/1336048601.db2.gz UWJSSETVBNQPQG-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCCCCC1 ZINC000968782270 1336048606 /nfs/dbraw/zinc/04/86/06/1336048606.db2.gz UWJSSETVBNQPQG-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCCCCC1 ZINC000968782270 1336048607 /nfs/dbraw/zinc/04/86/07/1336048607.db2.gz UWJSSETVBNQPQG-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC=C(C)C ZINC000968882190 1336077978 /nfs/dbraw/zinc/07/79/78/1336077978.db2.gz JFJWPGRVNCHEPT-RBUKOAKNSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC=C(C)C ZINC000968882190 1336077982 /nfs/dbraw/zinc/07/79/82/1336077982.db2.gz JFJWPGRVNCHEPT-RBUKOAKNSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC=C(C)C ZINC000968882190 1336077984 /nfs/dbraw/zinc/07/79/84/1336077984.db2.gz JFJWPGRVNCHEPT-RBUKOAKNSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1CC1 ZINC000969059674 1336133238 /nfs/dbraw/zinc/13/32/38/1336133238.db2.gz QJQIGOPJWPKOIH-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CC1 ZINC000969059674 1336133239 /nfs/dbraw/zinc/13/32/39/1336133239.db2.gz QJQIGOPJWPKOIH-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CC1 ZINC000969059674 1336133240 /nfs/dbraw/zinc/13/32/40/1336133240.db2.gz QJQIGOPJWPKOIH-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCC1 ZINC000969059866 1336133713 /nfs/dbraw/zinc/13/37/13/1336133713.db2.gz TWLHJBYDZQLCEI-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCC1 ZINC000969059866 1336133718 /nfs/dbraw/zinc/13/37/18/1336133718.db2.gz TWLHJBYDZQLCEI-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCC1 ZINC000969059866 1336133719 /nfs/dbraw/zinc/13/37/19/1336133719.db2.gz TWLHJBYDZQLCEI-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118369 1336150313 /nfs/dbraw/zinc/15/03/13/1336150313.db2.gz NETVHHPPQCIUNO-IAGOWNOFSA-N 2 1 346.519 3.168 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118369 1336150314 /nfs/dbraw/zinc/15/03/14/1336150314.db2.gz NETVHHPPQCIUNO-IAGOWNOFSA-N 2 1 346.519 3.168 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1 ZINC000970719504 1336335405 /nfs/dbraw/zinc/33/54/05/1336335405.db2.gz SBBZTDGYQQJIIY-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C2CC[NH+](CCC(C)C)CC2)C1 ZINC001005870282 1336413270 /nfs/dbraw/zinc/41/32/70/1336413270.db2.gz HBKDZZWCLGGSBC-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001006084216 1336449877 /nfs/dbraw/zinc/44/98/77/1336449877.db2.gz PUEUIDGLYBQLFW-AFMYVXGZSA-N 2 1 349.563 3.218 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001006408836 1336500689 /nfs/dbraw/zinc/50/06/89/1336500689.db2.gz VZYKVANJEFFMRG-UHFFFAOYSA-N 2 1 346.519 3.085 20 0 EGADMP COc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1Br ZINC001205654969 1370831262 /nfs/dbraw/zinc/83/12/62/1370831262.db2.gz YSAUETFCUINACN-STQMWFEESA-N 2 1 341.293 3.265 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007501303 1336658264 /nfs/dbraw/zinc/65/82/64/1336658264.db2.gz XKARZDPLYRQTCD-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001007501303 1336658266 /nfs/dbraw/zinc/65/82/66/1336658266.db2.gz XKARZDPLYRQTCD-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001007501303 1336658268 /nfs/dbraw/zinc/65/82/68/1336658268.db2.gz XKARZDPLYRQTCD-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001007622376 1336680045 /nfs/dbraw/zinc/68/00/45/1336680045.db2.gz UYBRSADDBBLNMG-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001007651125 1336683938 /nfs/dbraw/zinc/68/39/38/1336683938.db2.gz ZQFFQIAPLBTHAW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001007651125 1336683941 /nfs/dbraw/zinc/68/39/41/1336683941.db2.gz ZQFFQIAPLBTHAW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001007651125 1336683946 /nfs/dbraw/zinc/68/39/46/1336683946.db2.gz ZQFFQIAPLBTHAW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001007651125 1336683948 /nfs/dbraw/zinc/68/39/48/1336683948.db2.gz ZQFFQIAPLBTHAW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)ncc2Br)CCC[C@@H]1C[NH3+] ZINC001206003614 1370935445 /nfs/dbraw/zinc/93/54/45/1370935445.db2.gz KGSZMVVMHSIFOO-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](CCCC3CCC3)C2)C1 ZINC001008282676 1336814450 /nfs/dbraw/zinc/81/44/50/1336814450.db2.gz YRVJFBPSQAUNKC-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@H+](CCCC3CCC3)C2)C1 ZINC001008282676 1336814453 /nfs/dbraw/zinc/81/44/53/1336814453.db2.gz YRVJFBPSQAUNKC-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCCC3CCC3)C2)C1 ZINC001008282676 1336814456 /nfs/dbraw/zinc/81/44/56/1336814456.db2.gz YRVJFBPSQAUNKC-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008297150 1336817567 /nfs/dbraw/zinc/81/75/67/1336817567.db2.gz BVKZZZONDZJVRL-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008297150 1336817570 /nfs/dbraw/zinc/81/75/70/1336817570.db2.gz BVKZZZONDZJVRL-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008297150 1336817572 /nfs/dbraw/zinc/81/75/72/1336817572.db2.gz BVKZZZONDZJVRL-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1nc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(Br)s1 ZINC001206012630 1370938459 /nfs/dbraw/zinc/93/84/59/1370938459.db2.gz NFELKKFBNFBSDC-KOLCDFICSA-N 2 1 332.311 3.021 20 0 EGADMP Cc1nc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(Br)s1 ZINC001206012630 1370938460 /nfs/dbraw/zinc/93/84/60/1370938460.db2.gz NFELKKFBNFBSDC-KOLCDFICSA-N 2 1 332.311 3.021 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001008769102 1336923867 /nfs/dbraw/zinc/92/38/67/1336923867.db2.gz OUJXRRBUFIDGPW-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001008769102 1336923873 /nfs/dbraw/zinc/92/38/73/1336923873.db2.gz OUJXRRBUFIDGPW-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001008769102 1336923877 /nfs/dbraw/zinc/92/38/77/1336923877.db2.gz OUJXRRBUFIDGPW-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008773075 1336924646 /nfs/dbraw/zinc/92/46/46/1336924646.db2.gz YGTAGJYBGNLOBU-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008773075 1336924648 /nfs/dbraw/zinc/92/46/48/1336924648.db2.gz YGTAGJYBGNLOBU-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001008773075 1336924651 /nfs/dbraw/zinc/92/46/51/1336924651.db2.gz YGTAGJYBGNLOBU-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001009627198 1337049462 /nfs/dbraw/zinc/04/94/62/1337049462.db2.gz KVJQPBXAVQHIKY-IBGZPJMESA-N 2 1 343.515 3.133 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014627384 1337852413 /nfs/dbraw/zinc/85/24/13/1337852413.db2.gz HAWXIUZBPXLAJS-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001014627384 1337852418 /nfs/dbraw/zinc/85/24/18/1337852418.db2.gz HAWXIUZBPXLAJS-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001014627384 1337852422 /nfs/dbraw/zinc/85/24/22/1337852422.db2.gz HAWXIUZBPXLAJS-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001014633884 1337854496 /nfs/dbraw/zinc/85/44/96/1337854496.db2.gz UMEIGDSLTYZTOJ-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001014633884 1337854499 /nfs/dbraw/zinc/85/44/99/1337854499.db2.gz UMEIGDSLTYZTOJ-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001014633884 1337854503 /nfs/dbraw/zinc/85/45/03/1337854503.db2.gz UMEIGDSLTYZTOJ-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001014635692 1337854634 /nfs/dbraw/zinc/85/46/34/1337854634.db2.gz XFBMFIFSFVZVTA-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001014635692 1337854638 /nfs/dbraw/zinc/85/46/38/1337854638.db2.gz XFBMFIFSFVZVTA-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001014635692 1337854642 /nfs/dbraw/zinc/85/46/42/1337854642.db2.gz XFBMFIFSFVZVTA-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014721156 1337883298 /nfs/dbraw/zinc/88/32/98/1337883298.db2.gz IJGAYPFXEMNSSC-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001014721156 1337883301 /nfs/dbraw/zinc/88/33/01/1337883301.db2.gz IJGAYPFXEMNSSC-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001014721156 1337883304 /nfs/dbraw/zinc/88/33/04/1337883304.db2.gz IJGAYPFXEMNSSC-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001014724024 1337885337 /nfs/dbraw/zinc/88/53/37/1337885337.db2.gz SRUCDUJHFLTUCB-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001014724024 1337885341 /nfs/dbraw/zinc/88/53/41/1337885341.db2.gz SRUCDUJHFLTUCB-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001014724024 1337885347 /nfs/dbraw/zinc/88/53/47/1337885347.db2.gz SRUCDUJHFLTUCB-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001014724624 1337885569 /nfs/dbraw/zinc/88/55/69/1337885569.db2.gz VZFNMGRRLWASHT-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001014724624 1337885571 /nfs/dbraw/zinc/88/55/71/1337885571.db2.gz VZFNMGRRLWASHT-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001014724624 1337885574 /nfs/dbraw/zinc/88/55/74/1337885574.db2.gz VZFNMGRRLWASHT-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014724660 1337885753 /nfs/dbraw/zinc/88/57/53/1337885753.db2.gz WOTMVQHIBDWEIK-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001014724660 1337885756 /nfs/dbraw/zinc/88/57/56/1337885756.db2.gz WOTMVQHIBDWEIK-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001014724660 1337885764 /nfs/dbraw/zinc/88/57/64/1337885764.db2.gz WOTMVQHIBDWEIK-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001014724621 1337886023 /nfs/dbraw/zinc/88/60/23/1337886023.db2.gz VZFNMGRRLWASHT-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001014724621 1337886028 /nfs/dbraw/zinc/88/60/28/1337886028.db2.gz VZFNMGRRLWASHT-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001014724621 1337886031 /nfs/dbraw/zinc/88/60/31/1337886031.db2.gz VZFNMGRRLWASHT-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015110542 1338022893 /nfs/dbraw/zinc/02/28/93/1338022893.db2.gz UXHFEBBLJFVQPF-UYAOXDASSA-N 2 1 348.450 3.290 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001015116011 1338023629 /nfs/dbraw/zinc/02/36/29/1338023629.db2.gz ZCYNGOFJQFVHBA-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015291871 1338087221 /nfs/dbraw/zinc/08/72/21/1338087221.db2.gz WNSKBUPEGZFDCI-FUHWJXTLSA-N 2 1 348.450 3.208 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001015388333 1338120878 /nfs/dbraw/zinc/12/08/78/1338120878.db2.gz PNVPWWHWJLDMSW-UXHICEINSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)cc1 ZINC001015856983 1338335578 /nfs/dbraw/zinc/33/55/78/1338335578.db2.gz AYCKNHUYOLRFIN-HXUWFJFHSA-N 2 1 341.499 3.053 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(CC)CC)C1 ZINC001015971809 1338385136 /nfs/dbraw/zinc/38/51/36/1338385136.db2.gz DPLJFLAQDBOCQG-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001015971809 1338385138 /nfs/dbraw/zinc/38/51/38/1338385138.db2.gz DPLJFLAQDBOCQG-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001015971809 1338385141 /nfs/dbraw/zinc/38/51/41/1338385141.db2.gz DPLJFLAQDBOCQG-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016611691 1338663610 /nfs/dbraw/zinc/66/36/10/1338663610.db2.gz FEDGANMCTRONSL-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016615807 1338665360 /nfs/dbraw/zinc/66/53/60/1338665360.db2.gz XSAKJOFPBQMPDZ-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP C[N@@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001017153455 1338904433 /nfs/dbraw/zinc/90/44/33/1338904433.db2.gz PVRLEPYFFTUDAG-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001017153455 1338904435 /nfs/dbraw/zinc/90/44/35/1338904435.db2.gz PVRLEPYFFTUDAG-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001017153455 1338904436 /nfs/dbraw/zinc/90/44/36/1338904436.db2.gz PVRLEPYFFTUDAG-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC[C@H](C[N@@H+](C)CC3CCCC3)C2)CC1 ZINC001017239706 1338972232 /nfs/dbraw/zinc/97/22/32/1338972232.db2.gz HVNWNCBOCFVYEM-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001017857967 1339431755 /nfs/dbraw/zinc/43/17/55/1339431755.db2.gz VTVACXFPUKOWCI-HDICACEKSA-N 2 1 347.503 3.066 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001017857967 1339431758 /nfs/dbraw/zinc/43/17/58/1339431758.db2.gz VTVACXFPUKOWCI-HDICACEKSA-N 2 1 347.503 3.066 20 0 EGADMP CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1C[N@H+](CC1CCC(C)CC1)C2)[NH+](C)C ZINC001017906349 1339446385 /nfs/dbraw/zinc/44/63/85/1339446385.db2.gz VPBTWCJOTYYKSG-ZCFHBRKKSA-N 2 1 349.563 3.074 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001028089306 1340419018 /nfs/dbraw/zinc/41/90/18/1340419018.db2.gz YGYWQLICDQSNLU-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001028089306 1340419020 /nfs/dbraw/zinc/41/90/20/1340419020.db2.gz YGYWQLICDQSNLU-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001028089306 1340419022 /nfs/dbraw/zinc/41/90/22/1340419022.db2.gz YGYWQLICDQSNLU-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001028334611 1340571264 /nfs/dbraw/zinc/57/12/64/1340571264.db2.gz DXPDKMSNUWAZHF-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC001028334611 1340571265 /nfs/dbraw/zinc/57/12/65/1340571265.db2.gz DXPDKMSNUWAZHF-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1=CCCCC1 ZINC001028334611 1340571267 /nfs/dbraw/zinc/57/12/67/1340571267.db2.gz DXPDKMSNUWAZHF-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001028334610 1340571545 /nfs/dbraw/zinc/57/15/45/1340571545.db2.gz DXPDKMSNUWAZHF-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC001028334610 1340571548 /nfs/dbraw/zinc/57/15/48/1340571548.db2.gz DXPDKMSNUWAZHF-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1=CCCCC1 ZINC001028334610 1340571550 /nfs/dbraw/zinc/57/15/50/1340571550.db2.gz DXPDKMSNUWAZHF-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP O=C(NC[C@H]1CC[N@@H+](CCCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001028658666 1340743879 /nfs/dbraw/zinc/74/38/79/1340743879.db2.gz BXDUACWYVXNUOL-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755238 1340791991 /nfs/dbraw/zinc/79/19/91/1340791991.db2.gz JTENJLQYQKFKNI-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755238 1340791992 /nfs/dbraw/zinc/79/19/92/1340791992.db2.gz JTENJLQYQKFKNI-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755238 1340791993 /nfs/dbraw/zinc/79/19/93/1340791993.db2.gz JTENJLQYQKFKNI-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001028844736 1340855766 /nfs/dbraw/zinc/85/57/66/1340855766.db2.gz BGIQOUFRURHMDJ-IEBWSBKVSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001028844736 1340855773 /nfs/dbraw/zinc/85/57/73/1340855773.db2.gz BGIQOUFRURHMDJ-IEBWSBKVSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001028844736 1340855779 /nfs/dbraw/zinc/85/57/79/1340855779.db2.gz BGIQOUFRURHMDJ-IEBWSBKVSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001028845143 1340855909 /nfs/dbraw/zinc/85/59/09/1340855909.db2.gz GXSZNTGRPBUODX-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001028845143 1340855913 /nfs/dbraw/zinc/85/59/13/1340855913.db2.gz GXSZNTGRPBUODX-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001028845143 1340855915 /nfs/dbraw/zinc/85/59/15/1340855915.db2.gz GXSZNTGRPBUODX-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001028844773 1340856163 /nfs/dbraw/zinc/85/61/63/1340856163.db2.gz CECSEUJKNYLNMC-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001028844773 1340856167 /nfs/dbraw/zinc/85/61/67/1340856167.db2.gz CECSEUJKNYLNMC-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001028844773 1340856171 /nfs/dbraw/zinc/85/61/71/1340856171.db2.gz CECSEUJKNYLNMC-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1)[NH+](C)C ZINC001029347766 1340975016 /nfs/dbraw/zinc/97/50/16/1340975016.db2.gz HXBQTGLQCHQFSM-ZCNNSNEGSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001029595254 1341018639 /nfs/dbraw/zinc/01/86/39/1341018639.db2.gz FDIVYYJOCOHQCW-QGZVKYPTSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC(C[NH+](C)CC2CCC2)CC1 ZINC001029970160 1341138925 /nfs/dbraw/zinc/13/89/25/1341138925.db2.gz NYLQZVIEWGQOJP-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1 ZINC001029970160 1341138927 /nfs/dbraw/zinc/13/89/27/1341138927.db2.gz NYLQZVIEWGQOJP-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1 ZINC001029970160 1341138929 /nfs/dbraw/zinc/13/89/29/1341138929.db2.gz NYLQZVIEWGQOJP-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001030020187 1341159739 /nfs/dbraw/zinc/15/97/39/1341159739.db2.gz ULYODRITZQCGRP-FHLIZLRMSA-N 2 1 349.906 3.076 20 0 EGADMP O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001032043055 1341444161 /nfs/dbraw/zinc/44/41/61/1341444161.db2.gz UDSJPYJUHBZRFZ-PMACEKPBSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC1CCCC1 ZINC001032433299 1341511061 /nfs/dbraw/zinc/51/10/61/1341511061.db2.gz NFYZVNUGCYDHJM-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCCC1 ZINC001032433299 1341511068 /nfs/dbraw/zinc/51/10/68/1341511068.db2.gz NFYZVNUGCYDHJM-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCCC1 ZINC001032433299 1341511072 /nfs/dbraw/zinc/51/10/72/1341511072.db2.gz NFYZVNUGCYDHJM-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001032583944 1341549339 /nfs/dbraw/zinc/54/93/39/1341549339.db2.gz JTDROKSQWHQOEA-UFYCRDLUSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001032583944 1341549341 /nfs/dbraw/zinc/54/93/41/1341549341.db2.gz JTDROKSQWHQOEA-UFYCRDLUSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001032583944 1341549342 /nfs/dbraw/zinc/54/93/42/1341549342.db2.gz JTDROKSQWHQOEA-UFYCRDLUSA-N 2 1 347.547 3.115 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC(C)(C)C ZINC001032727158 1341593389 /nfs/dbraw/zinc/59/33/89/1341593389.db2.gz ZLVFIHSYGJXOSH-GBESFXJTSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C ZINC001032727158 1341593390 /nfs/dbraw/zinc/59/33/90/1341593390.db2.gz ZLVFIHSYGJXOSH-GBESFXJTSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C ZINC001032727158 1341593391 /nfs/dbraw/zinc/59/33/91/1341593391.db2.gz ZLVFIHSYGJXOSH-GBESFXJTSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001032840083 1341630960 /nfs/dbraw/zinc/63/09/60/1341630960.db2.gz JKNGUGSBDHTHEN-FFGOWVMKSA-N 2 1 343.515 3.059 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001032840083 1341630961 /nfs/dbraw/zinc/63/09/61/1341630961.db2.gz JKNGUGSBDHTHEN-FFGOWVMKSA-N 2 1 343.515 3.059 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001032840083 1341630962 /nfs/dbraw/zinc/63/09/62/1341630962.db2.gz JKNGUGSBDHTHEN-FFGOWVMKSA-N 2 1 343.515 3.059 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033319367 1341779908 /nfs/dbraw/zinc/77/99/08/1341779908.db2.gz PSGUYPQFGBLKLP-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001033353307 1341793536 /nfs/dbraw/zinc/79/35/36/1341793536.db2.gz GHAOIMLHZRBKEJ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCCC3CCC3)C2)C1 ZINC001033353307 1341793538 /nfs/dbraw/zinc/79/35/38/1341793538.db2.gz GHAOIMLHZRBKEJ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001033353307 1341793540 /nfs/dbraw/zinc/79/35/40/1341793540.db2.gz GHAOIMLHZRBKEJ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[NH+]1C1CCCC1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033365091 1341797066 /nfs/dbraw/zinc/79/70/66/1341797066.db2.gz KAUVESPNYMKIAH-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001033365091 1341797067 /nfs/dbraw/zinc/79/70/67/1341797067.db2.gz KAUVESPNYMKIAH-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001033365091 1341797068 /nfs/dbraw/zinc/79/70/68/1341797068.db2.gz KAUVESPNYMKIAH-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)c1occc1C[NH+](C)C)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033365830 1341797734 /nfs/dbraw/zinc/79/77/34/1341797734.db2.gz KSVLATIGLDLPES-GOSISDBHSA-N 2 1 347.503 3.068 20 0 EGADMP CN(C(=O)c1occc1C[NH+](C)C)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033365830 1341797735 /nfs/dbraw/zinc/79/77/35/1341797735.db2.gz KSVLATIGLDLPES-GOSISDBHSA-N 2 1 347.503 3.068 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033416995 1341821078 /nfs/dbraw/zinc/82/10/78/1341821078.db2.gz SYWXBKCTLQKCSN-HKUYNNGSSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001033416995 1341821079 /nfs/dbraw/zinc/82/10/79/1341821079.db2.gz SYWXBKCTLQKCSN-HKUYNNGSSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033416995 1341821080 /nfs/dbraw/zinc/82/10/80/1341821080.db2.gz SYWXBKCTLQKCSN-HKUYNNGSSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033466255 1341837031 /nfs/dbraw/zinc/83/70/31/1341837031.db2.gz JNDJYGAXBKRXEQ-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033466255 1341837033 /nfs/dbraw/zinc/83/70/33/1341837033.db2.gz JNDJYGAXBKRXEQ-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033533257 1341861547 /nfs/dbraw/zinc/86/15/47/1341861547.db2.gz XQYKCADHIYUGFU-UYAOXDASSA-N 2 1 343.515 3.012 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033545802 1341865419 /nfs/dbraw/zinc/86/54/19/1341865419.db2.gz ASNSWZMRQJSXQA-IBGZPJMESA-N 2 1 337.552 3.076 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001033669246 1341937456 /nfs/dbraw/zinc/93/74/56/1341937456.db2.gz PTPIUKLXSSTSED-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001033669246 1341937458 /nfs/dbraw/zinc/93/74/58/1341937458.db2.gz PTPIUKLXSSTSED-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033699750 1341966636 /nfs/dbraw/zinc/96/66/36/1341966636.db2.gz PQXDBONNXDIMGS-IRXDYDNUSA-N 2 1 349.519 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CCC(C)C)C2)C1 ZINC001033936942 1342100195 /nfs/dbraw/zinc/10/01/95/1342100195.db2.gz ZNBSHTHZZIVCAZ-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(CC)[C@@H]2CC[N@H+](CCC(C)C)C2)C1 ZINC001033936942 1342100198 /nfs/dbraw/zinc/10/01/98/1342100198.db2.gz ZNBSHTHZZIVCAZ-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(CC)[C@@H]2CC[N@@H+](CCC(C)C)C2)C1 ZINC001033936942 1342100199 /nfs/dbraw/zinc/10/01/99/1342100199.db2.gz ZNBSHTHZZIVCAZ-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001033989704 1342133425 /nfs/dbraw/zinc/13/34/25/1342133425.db2.gz OMUIEUXVTZGGSJ-HXUWFJFHSA-N 2 1 343.515 3.251 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034205818 1342316125 /nfs/dbraw/zinc/31/61/25/1342316125.db2.gz YYTBLBVBOSQCPF-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001034205818 1342316127 /nfs/dbraw/zinc/31/61/27/1342316127.db2.gz YYTBLBVBOSQCPF-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001034205818 1342316131 /nfs/dbraw/zinc/31/61/31/1342316131.db2.gz YYTBLBVBOSQCPF-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034209590 1342319370 /nfs/dbraw/zinc/31/93/70/1342319370.db2.gz BXJCXJUMIKYMSM-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211456 1342321122 /nfs/dbraw/zinc/32/11/22/1342321122.db2.gz MXCOPDNBINHNQL-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034211456 1342321125 /nfs/dbraw/zinc/32/11/25/1342321125.db2.gz MXCOPDNBINHNQL-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034211456 1342321130 /nfs/dbraw/zinc/32/11/30/1342321130.db2.gz MXCOPDNBINHNQL-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034251449 1342347747 /nfs/dbraw/zinc/34/77/47/1342347747.db2.gz ZHBYHPULFCDAND-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034251449 1342347750 /nfs/dbraw/zinc/34/77/50/1342347750.db2.gz ZHBYHPULFCDAND-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034251449 1342347752 /nfs/dbraw/zinc/34/77/52/1342347752.db2.gz ZHBYHPULFCDAND-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034361788 1342432820 /nfs/dbraw/zinc/43/28/20/1342432820.db2.gz SCFRMZNCEVGVJH-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034361788 1342432823 /nfs/dbraw/zinc/43/28/23/1342432823.db2.gz SCFRMZNCEVGVJH-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034361788 1342432826 /nfs/dbraw/zinc/43/28/26/1342432826.db2.gz SCFRMZNCEVGVJH-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC001034366345 1342436665 /nfs/dbraw/zinc/43/66/65/1342436665.db2.gz ZOGLNZIZYQGGRL-KRWDZBQOSA-N 2 1 349.519 3.362 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCCC[N@@H+](CCC(C)(C)C)C1 ZINC001034366345 1342436668 /nfs/dbraw/zinc/43/66/68/1342436668.db2.gz ZOGLNZIZYQGGRL-KRWDZBQOSA-N 2 1 349.519 3.362 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001034398182 1342464911 /nfs/dbraw/zinc/46/49/11/1342464911.db2.gz NIEROTITKKAXGA-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001034398182 1342464917 /nfs/dbraw/zinc/46/49/17/1342464917.db2.gz NIEROTITKKAXGA-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001034398182 1342464919 /nfs/dbraw/zinc/46/49/19/1342464919.db2.gz NIEROTITKKAXGA-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034405853 1342469468 /nfs/dbraw/zinc/46/94/68/1342469468.db2.gz VQPRBMBPZLIGPO-HXUWFJFHSA-N 2 1 345.531 3.175 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034436723 1342499624 /nfs/dbraw/zinc/49/96/24/1342499624.db2.gz BIDAUIVKDILVGI-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034479226 1342536199 /nfs/dbraw/zinc/53/61/99/1342536199.db2.gz UZVGDMASFHDYEF-FXAWDEMLSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001034526727 1342582972 /nfs/dbraw/zinc/58/29/72/1342582972.db2.gz AIOORSYEDKOGHH-ICSRJNTNSA-N 2 1 343.515 3.123 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001034526744 1342583549 /nfs/dbraw/zinc/58/35/49/1342583549.db2.gz AIOORSYEDKOGHH-UYAOXDASSA-N 2 1 343.515 3.123 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529068 1342585342 /nfs/dbraw/zinc/58/53/42/1342585342.db2.gz WBKGANJODDWQLN-VQTJNVASSA-N 2 1 343.515 3.204 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034537388 1342594072 /nfs/dbraw/zinc/59/40/72/1342594072.db2.gz BCAPJPUYZXUKAS-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001034537388 1342594074 /nfs/dbraw/zinc/59/40/74/1342594074.db2.gz BCAPJPUYZXUKAS-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001034537388 1342594075 /nfs/dbraw/zinc/59/40/75/1342594075.db2.gz BCAPJPUYZXUKAS-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001034690721 1342694584 /nfs/dbraw/zinc/69/45/84/1342694584.db2.gz AAHRQJUHMQYAGT-WGSAOQKQSA-N 2 1 346.519 3.179 20 0 EGADMP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001034784067 1342759658 /nfs/dbraw/zinc/75/96/58/1342759658.db2.gz CZJZGINGXGZXMR-ZJOUEHCJSA-N 2 1 347.547 3.070 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001035071176 1342912106 /nfs/dbraw/zinc/91/21/06/1342912106.db2.gz PWYQOUUJJUBYFC-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](CCC(C)(C)C)C3)CC2)CC[N@H+]1C ZINC001035187135 1343001226 /nfs/dbraw/zinc/00/12/26/1343001226.db2.gz RSZGXFWEYMZOEC-QZTJIDSGSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@H+](CCC(C)(C)C)C3)CC2)CC[NH+]1C ZINC001035187135 1343001231 /nfs/dbraw/zinc/00/12/31/1343001231.db2.gz RSZGXFWEYMZOEC-QZTJIDSGSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@@H+](CCC(C)(C)C)C3)CC2)CC[NH+]1C ZINC001035187135 1343001235 /nfs/dbraw/zinc/00/12/35/1343001235.db2.gz RSZGXFWEYMZOEC-QZTJIDSGSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C1CCC1)CC2 ZINC001035194412 1343008710 /nfs/dbraw/zinc/00/87/10/1343008710.db2.gz LZIPMLPWDLBYNG-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C1)CCN(C(=O)C[N@H+](C)C1CCC1)CC2 ZINC001035194412 1343008713 /nfs/dbraw/zinc/00/87/13/1343008713.db2.gz LZIPMLPWDLBYNG-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)C1CCC1)CC2 ZINC001035194412 1343008716 /nfs/dbraw/zinc/00/87/16/1343008716.db2.gz LZIPMLPWDLBYNG-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CCC2(CC[N@@H+](CC3CCCCC3)C2)CC1)[NH+](C)C ZINC001035228793 1343050738 /nfs/dbraw/zinc/05/07/38/1343050738.db2.gz ABNGGNAASAGJQN-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+]1CCC2(C1)CCN(C(=O)CCn1cc[nH+]c1C(C)C)CC2 ZINC001035233899 1343056041 /nfs/dbraw/zinc/05/60/41/1343056041.db2.gz OLSYBXCWQARGHO-UHFFFAOYSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[N@H+]1CCC2(C1)CCN(C(=O)CCn1cc[nH+]c1C(C)C)CC2 ZINC001035233899 1343056044 /nfs/dbraw/zinc/05/60/44/1343056044.db2.gz OLSYBXCWQARGHO-UHFFFAOYSA-N 2 1 346.519 3.121 20 0 EGADMP CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035233900 1343056167 /nfs/dbraw/zinc/05/61/67/1343056167.db2.gz OMPTXCDZCLQNGP-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1CC)CC2 ZINC001035259966 1343086688 /nfs/dbraw/zinc/08/66/88/1343086688.db2.gz KGTNPSJSKIJDBF-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)CC2 ZINC001035259966 1343086689 /nfs/dbraw/zinc/08/66/89/1343086689.db2.gz KGTNPSJSKIJDBF-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1CC)CC2 ZINC001035259966 1343086690 /nfs/dbraw/zinc/08/66/90/1343086690.db2.gz KGTNPSJSKIJDBF-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035741377 1343163033 /nfs/dbraw/zinc/16/30/33/1343163033.db2.gz MEKKZKIXTIJBIP-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001036409205 1343470300 /nfs/dbraw/zinc/47/03/00/1343470300.db2.gz HBRHCGJCSXOVHZ-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001036423114 1343477416 /nfs/dbraw/zinc/47/74/16/1343477416.db2.gz ZUVFHACTUIGWKO-AEFFLSMTSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001036448258 1343493509 /nfs/dbraw/zinc/49/35/09/1343493509.db2.gz BCBXOCCOCUNWIV-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001036556534 1343552396 /nfs/dbraw/zinc/55/23/96/1343552396.db2.gz MQBAVNDUCJJGSI-YLJYHZDGSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001037858086 1344143704 /nfs/dbraw/zinc/14/37/04/1344143704.db2.gz DRVCQXUPQWGLMW-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1[NH2+]CC1CC1 ZINC001037929344 1344187701 /nfs/dbraw/zinc/18/77/01/1344187701.db2.gz HOJYVSWEDPIHSR-MSOLQXFVSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001038238226 1344337913 /nfs/dbraw/zinc/33/79/13/1344337913.db2.gz GJOOFHASDCWRFE-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001038238226 1344337918 /nfs/dbraw/zinc/33/79/18/1344337918.db2.gz GJOOFHASDCWRFE-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCC1 ZINC001038238226 1344337920 /nfs/dbraw/zinc/33/79/20/1344337920.db2.gz GJOOFHASDCWRFE-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001038241419 1344338781 /nfs/dbraw/zinc/33/87/81/1344338781.db2.gz TXLSYGLKBXMEPC-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001038241419 1344338785 /nfs/dbraw/zinc/33/87/85/1344338785.db2.gz TXLSYGLKBXMEPC-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001038241419 1344338791 /nfs/dbraw/zinc/33/87/91/1344338791.db2.gz TXLSYGLKBXMEPC-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP Cc1c(C(=O)NC[C@H]2CC[N@@H+]2[C@H](C)c2ccccc2)ccc2c[nH+]cn21 ZINC001038431657 1344426138 /nfs/dbraw/zinc/42/61/38/1344426138.db2.gz KCTYXLNSNXDLSM-DNVCBOLYSA-N 2 1 348.450 3.208 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+]2CC2=CCCCC2)c1 ZINC001039041174 1344727912 /nfs/dbraw/zinc/72/79/12/1344727912.db2.gz ZDEJALPMKUETHK-HXUWFJFHSA-N 2 1 341.499 3.053 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039133339 1344811446 /nfs/dbraw/zinc/81/14/46/1344811446.db2.gz GUIZTQZFRIGGRW-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001039133339 1344811450 /nfs/dbraw/zinc/81/14/50/1344811450.db2.gz GUIZTQZFRIGGRW-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001039133339 1344811456 /nfs/dbraw/zinc/81/14/56/1344811456.db2.gz GUIZTQZFRIGGRW-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC([C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001039133742 1344811981 /nfs/dbraw/zinc/81/19/81/1344811981.db2.gz LPOSXJSQUPVYJS-PMACEKPBSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039133742 1344811990 /nfs/dbraw/zinc/81/19/90/1344811990.db2.gz LPOSXJSQUPVYJS-PMACEKPBSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039133742 1344811996 /nfs/dbraw/zinc/81/19/96/1344811996.db2.gz LPOSXJSQUPVYJS-PMACEKPBSA-N 2 1 349.563 3.218 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([C@@H]3CC[NH+](C(C)C)C3)CC2)C1 ZINC001039152360 1344836179 /nfs/dbraw/zinc/83/61/79/1344836179.db2.gz XPOXQZYWGQUEAM-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC([C@@H]3CC[N@@H+](C(C)C)C3)CC2)C1 ZINC001039152360 1344836180 /nfs/dbraw/zinc/83/61/80/1344836180.db2.gz XPOXQZYWGQUEAM-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC([C@@H]3CC[N@H+](C(C)C)C3)CC2)C1 ZINC001039152360 1344836181 /nfs/dbraw/zinc/83/61/81/1344836181.db2.gz XPOXQZYWGQUEAM-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039153782 1344837718 /nfs/dbraw/zinc/83/77/18/1344837718.db2.gz HQTWQQMXVPDOPZ-WOJBJXKFSA-N 2 1 349.563 3.099 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039155840 1344841178 /nfs/dbraw/zinc/84/11/78/1344841178.db2.gz DUBKLIRFHUQLMY-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC001039168279 1344855913 /nfs/dbraw/zinc/85/59/13/1344855913.db2.gz SJLQZABGPIBEKW-HXUWFJFHSA-N 2 1 349.563 3.076 20 0 EGADMP CCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039237584 1344960442 /nfs/dbraw/zinc/96/04/42/1344960442.db2.gz HQCMTZJGDAPBLJ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001039280966 1344995078 /nfs/dbraw/zinc/99/50/78/1344995078.db2.gz SSVXIVQAGAQWMA-UMQXSMKFSA-N 2 1 349.563 3.122 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001039447918 1345072548 /nfs/dbraw/zinc/07/25/48/1345072548.db2.gz PMOORMNUXGQDNJ-CEXWTWQISA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001039447918 1345072550 /nfs/dbraw/zinc/07/25/50/1345072550.db2.gz PMOORMNUXGQDNJ-CEXWTWQISA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001039447918 1345072551 /nfs/dbraw/zinc/07/25/51/1345072551.db2.gz PMOORMNUXGQDNJ-CEXWTWQISA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001039447767 1345072693 /nfs/dbraw/zinc/07/26/93/1345072693.db2.gz JENNDZZNQVCNSM-OTWHNJEPSA-N 2 1 335.536 3.116 20 0 EGADMP CCc1nccn1[C@H](C)CC(=O)N1CCC([N@@H+](CC)CC2CC2)CC1 ZINC001039486016 1345104112 /nfs/dbraw/zinc/10/41/12/1345104112.db2.gz XKFDCJZMHZZQSB-MRXNPFEDSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC([N@H+](CC)CC2CC2)CC1 ZINC001039486016 1345104116 /nfs/dbraw/zinc/10/41/16/1345104116.db2.gz XKFDCJZMHZZQSB-MRXNPFEDSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC([N@@H+](CC)CC2CC2)CC1 ZINC001039486016 1345104119 /nfs/dbraw/zinc/10/41/19/1345104119.db2.gz XKFDCJZMHZZQSB-MRXNPFEDSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH+](CC)CC2CC2)CC1 ZINC001039490974 1345111226 /nfs/dbraw/zinc/11/12/26/1345111226.db2.gz IUNVZZHYUFSKNF-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC([N@H+](CC)CC2CC2)CC1 ZINC001039490974 1345111228 /nfs/dbraw/zinc/11/12/28/1345111228.db2.gz IUNVZZHYUFSKNF-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC([N@@H+](CC)CC2CC2)CC1 ZINC001039490974 1345111232 /nfs/dbraw/zinc/11/12/32/1345111232.db2.gz IUNVZZHYUFSKNF-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001039658423 1345153976 /nfs/dbraw/zinc/15/39/76/1345153976.db2.gz JMHGZSIGKAVFES-OTWHNJEPSA-N 2 1 349.563 3.074 20 0 EGADMP O=C(C[NH+]1CCCC1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC001040006196 1345285011 /nfs/dbraw/zinc/28/50/11/1345285011.db2.gz VEQNWPZDDTXEFP-BGYRXZFFSA-N 2 1 347.547 3.118 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(C)(C)C)C2)C1CCC1 ZINC001040240459 1345390699 /nfs/dbraw/zinc/39/06/99/1345390699.db2.gz GOJQOXXQLPSYHM-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC(C)(C)C)C2)C1CCC1 ZINC001040240459 1345390701 /nfs/dbraw/zinc/39/07/01/1345390701.db2.gz GOJQOXXQLPSYHM-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC(C)(C)C)C2)C1CCC1 ZINC001040240459 1345390704 /nfs/dbraw/zinc/39/07/04/1345390704.db2.gz GOJQOXXQLPSYHM-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040260219 1345399589 /nfs/dbraw/zinc/39/95/89/1345399589.db2.gz CHVQZLYTPKTQEQ-QUCCMNQESA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCC1CCC1)C2)[NH+](C)C ZINC001040260207 1345399618 /nfs/dbraw/zinc/39/96/18/1345399618.db2.gz CEISZCABNJDZAA-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040323347 1345432417 /nfs/dbraw/zinc/43/24/17/1345432417.db2.gz QGFFZQUYDAZPJR-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040397696 1345475522 /nfs/dbraw/zinc/47/55/22/1345475522.db2.gz CHVQZLYTPKTQEQ-ICSRJNTNSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040463532 1345509784 /nfs/dbraw/zinc/50/97/84/1345509784.db2.gz HEDZHDRCAFECFW-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001040721964 1345570604 /nfs/dbraw/zinc/57/06/04/1345570604.db2.gz HDBPLFRTKLXNPH-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)CC1 ZINC001040817482 1345581861 /nfs/dbraw/zinc/58/18/61/1345581861.db2.gz RCFBFYSINQGSAF-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)CC1 ZINC001040882324 1345593674 /nfs/dbraw/zinc/59/36/74/1345593674.db2.gz CSISOYVSWUSHIO-MOPGFXCFSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](C(C)C)CC2 ZINC001040912506 1345598793 /nfs/dbraw/zinc/59/87/93/1345598793.db2.gz PATWBMPJQDXPDJ-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041340064 1345705536 /nfs/dbraw/zinc/70/55/36/1345705536.db2.gz SDEIQRQVXYVGLK-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001041340064 1345705540 /nfs/dbraw/zinc/70/55/40/1345705540.db2.gz SDEIQRQVXYVGLK-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001041340064 1345705544 /nfs/dbraw/zinc/70/55/44/1345705544.db2.gz SDEIQRQVXYVGLK-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCCC3CCC3)C2)C1)[NH+](C)C ZINC001041377720 1345712262 /nfs/dbraw/zinc/71/22/62/1345712262.db2.gz DUJQUIYWAKWSCW-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845465 1345871726 /nfs/dbraw/zinc/87/17/26/1345871726.db2.gz DKTVUIILULUPGO-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041845465 1345871727 /nfs/dbraw/zinc/87/17/27/1345871727.db2.gz DKTVUIILULUPGO-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001041845465 1345871728 /nfs/dbraw/zinc/87/17/28/1345871728.db2.gz DKTVUIILULUPGO-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042187099 1345974426 /nfs/dbraw/zinc/97/44/26/1345974426.db2.gz LOSJDEAXEYIFSU-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001042848480 1346120774 /nfs/dbraw/zinc/12/07/74/1346120774.db2.gz PANSOLNNMHOMNF-FXAWDEMLSA-N 2 1 343.515 3.073 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001042848480 1346120778 /nfs/dbraw/zinc/12/07/78/1346120778.db2.gz PANSOLNNMHOMNF-FXAWDEMLSA-N 2 1 343.515 3.073 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C1C[NH+](CCCC2CCCC2)C1 ZINC001042917368 1346124387 /nfs/dbraw/zinc/12/43/87/1346124387.db2.gz FRBFJSBWOLZJNS-IBGZPJMESA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)c1ccccc1C[NH+](C)C)C1C[NH+](CCCC2CCC2)C1 ZINC001044331401 1346300854 /nfs/dbraw/zinc/30/08/54/1346300854.db2.gz PKHKOPKOARSDBH-UHFFFAOYSA-N 2 1 343.515 3.085 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045044715 1346484956 /nfs/dbraw/zinc/48/49/56/1346484956.db2.gz SLCZHVYLLPIFJU-WMZOPIPTSA-N 2 1 346.519 3.167 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001045061045 1346488328 /nfs/dbraw/zinc/48/83/28/1346488328.db2.gz RZZMLOQICSGMKS-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1)C1CCC1 ZINC001045070604 1346489725 /nfs/dbraw/zinc/48/97/25/1346489725.db2.gz NMVRTUAYMJANQT-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CC2CCCCC2)CC1 ZINC001045438383 1346594259 /nfs/dbraw/zinc/59/42/59/1346594259.db2.gz RPCKVNNPXGXXOM-IBGZPJMESA-N 2 1 349.563 3.410 20 0 EGADMP CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC[NH+](CC2CCCC2)CC1 ZINC001045475670 1346602975 /nfs/dbraw/zinc/60/29/75/1346602975.db2.gz OFMNHPUBDGWNQQ-RTBURBONSA-N 2 1 347.547 3.164 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2(C)CC[NH+](CC3CC(C)C3)CC2)C1 ZINC001045531378 1346619171 /nfs/dbraw/zinc/61/91/71/1346619171.db2.gz GLMWWJRJORUGRX-CTWPCTMYSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001045640382 1346655983 /nfs/dbraw/zinc/65/59/83/1346655983.db2.gz PATGKTYWKYGANY-OALUTQOASA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CCCC2CCC2)C1 ZINC001046316782 1346932002 /nfs/dbraw/zinc/93/20/02/1346932002.db2.gz RDQSKNJFNAACHH-UYAOXDASSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CCCC2CCC2)C1 ZINC001046316782 1346932006 /nfs/dbraw/zinc/93/20/06/1346932006.db2.gz RDQSKNJFNAACHH-UYAOXDASSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CCCC2CCC2)C1 ZINC001046316782 1346932009 /nfs/dbraw/zinc/93/20/09/1346932009.db2.gz RDQSKNJFNAACHH-UYAOXDASSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC3CCCCC3)C2)C1 ZINC001046368915 1346951917 /nfs/dbraw/zinc/95/19/17/1346951917.db2.gz KFMLNGGVJRJRHC-CTNGQTDRSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CC3CCCCC3)C2)C1 ZINC001046368915 1346951918 /nfs/dbraw/zinc/95/19/18/1346951918.db2.gz KFMLNGGVJRJRHC-CTNGQTDRSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001046368915 1346951922 /nfs/dbraw/zinc/95/19/22/1346951922.db2.gz KFMLNGGVJRJRHC-CTNGQTDRSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCCC3CCC3)C2)C1 ZINC001046375694 1346954447 /nfs/dbraw/zinc/95/44/47/1346954447.db2.gz OTXIJLFWOZLZAU-CTNGQTDRSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCCC3CCC3)C2)C1 ZINC001046375694 1346954449 /nfs/dbraw/zinc/95/44/49/1346954449.db2.gz OTXIJLFWOZLZAU-CTNGQTDRSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001046375694 1346954452 /nfs/dbraw/zinc/95/44/52/1346954452.db2.gz OTXIJLFWOZLZAU-CTNGQTDRSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CC2CCCCCC2)C1 ZINC001046558985 1347016367 /nfs/dbraw/zinc/01/63/67/1347016367.db2.gz WOEZXUAYMOSOBC-AZUAARDMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC2CCCCCC2)C1 ZINC001046558985 1347016371 /nfs/dbraw/zinc/01/63/71/1347016371.db2.gz WOEZXUAYMOSOBC-AZUAARDMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC2CCCCCC2)C1 ZINC001046558985 1347016372 /nfs/dbraw/zinc/01/63/72/1347016372.db2.gz WOEZXUAYMOSOBC-AZUAARDMSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@]2(C)CC[NH+](CCC(C)(C)C)C2)C1 ZINC001046561037 1347017770 /nfs/dbraw/zinc/01/77/70/1347017770.db2.gz AVIXJUVQFAXXOX-PXNSSMCTSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001046561037 1347017772 /nfs/dbraw/zinc/01/77/72/1347017772.db2.gz AVIXJUVQFAXXOX-PXNSSMCTSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001046561037 1347017774 /nfs/dbraw/zinc/01/77/74/1347017774.db2.gz AVIXJUVQFAXXOX-PXNSSMCTSA-N 2 1 337.552 3.125 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CCCCC1)C2 ZINC001047200943 1347240968 /nfs/dbraw/zinc/24/09/68/1347240968.db2.gz IYMTYQAVYHOVFN-ZCNNSNEGSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047242355 1347268113 /nfs/dbraw/zinc/26/81/13/1347268113.db2.gz CNAQACBHXAOWDN-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001047248980 1347273803 /nfs/dbraw/zinc/27/38/03/1347273803.db2.gz PYYSDFHEFPVQQK-YSIASYRMSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047263311 1347284371 /nfs/dbraw/zinc/28/43/71/1347284371.db2.gz GASNNXSCCPAVSM-ICSRJNTNSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CC=C(C)C)CC[N@H+]1C ZINC001048529962 1347579751 /nfs/dbraw/zinc/57/97/51/1347579751.db2.gz ZUYANBWNEKYLHH-LJDSDSDDSA-N 2 1 347.547 3.042 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC=C(C)C)CC[NH+]1C ZINC001048529962 1347579752 /nfs/dbraw/zinc/57/97/52/1347579752.db2.gz ZUYANBWNEKYLHH-LJDSDSDDSA-N 2 1 347.547 3.042 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC=C(C)C)CC[NH+]1C ZINC001048529962 1347579755 /nfs/dbraw/zinc/57/97/55/1347579755.db2.gz ZUYANBWNEKYLHH-LJDSDSDDSA-N 2 1 347.547 3.042 20 0 EGADMP CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001048534006 1347582572 /nfs/dbraw/zinc/58/25/72/1347582572.db2.gz ODONYILIVJTTHA-RNQOJCNYSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001048534006 1347582573 /nfs/dbraw/zinc/58/25/73/1347582573.db2.gz ODONYILIVJTTHA-RNQOJCNYSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001048534006 1347582575 /nfs/dbraw/zinc/58/25/75/1347582575.db2.gz ODONYILIVJTTHA-RNQOJCNYSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001048539267 1347583957 /nfs/dbraw/zinc/58/39/57/1347583957.db2.gz MMTXQMBQUDOBTG-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001048539267 1347583959 /nfs/dbraw/zinc/58/39/59/1347583959.db2.gz MMTXQMBQUDOBTG-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001048539267 1347583960 /nfs/dbraw/zinc/58/39/60/1347583960.db2.gz MMTXQMBQUDOBTG-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+]1CCC3)C2 ZINC001048543415 1347585822 /nfs/dbraw/zinc/58/58/22/1347585822.db2.gz YBVMAOBPPPTTLA-OKYOBFRVSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001048573238 1347599630 /nfs/dbraw/zinc/59/96/30/1347599630.db2.gz YCNDTOAOCQFDPZ-RDGPPVDQSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001048573238 1347599632 /nfs/dbraw/zinc/59/96/32/1347599632.db2.gz YCNDTOAOCQFDPZ-RDGPPVDQSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001048573238 1347599633 /nfs/dbraw/zinc/59/96/33/1347599633.db2.gz YCNDTOAOCQFDPZ-RDGPPVDQSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001048609739 1347617435 /nfs/dbraw/zinc/61/74/35/1347617435.db2.gz PDBRVEPPSLYWCR-UFYCRDLUSA-N 2 1 349.563 3.029 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]C(C)C)CC2)C1 ZINC001048615482 1347619545 /nfs/dbraw/zinc/61/95/45/1347619545.db2.gz HYNQELBMKUJWQR-GUDVDZBRSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001048620023 1347621260 /nfs/dbraw/zinc/62/12/60/1347621260.db2.gz XQZFGXXDHHJJGH-GUDVDZBRSA-N 2 1 337.552 3.170 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC1CCCC1 ZINC001049367685 1347807248 /nfs/dbraw/zinc/80/72/48/1347807248.db2.gz ASPXRFONBVQQIJ-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC1CCCC1 ZINC001049367685 1347807252 /nfs/dbraw/zinc/80/72/52/1347807252.db2.gz ASPXRFONBVQQIJ-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC1CCCC1 ZINC001049367685 1347807254 /nfs/dbraw/zinc/80/72/54/1347807254.db2.gz ASPXRFONBVQQIJ-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049462691 1347861224 /nfs/dbraw/zinc/86/12/24/1347861224.db2.gz ABKDJLVQFTTYHU-ZCNNSNEGSA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001049462691 1347861226 /nfs/dbraw/zinc/86/12/26/1347861226.db2.gz ABKDJLVQFTTYHU-ZCNNSNEGSA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001049462691 1347861227 /nfs/dbraw/zinc/86/12/27/1347861227.db2.gz ABKDJLVQFTTYHU-ZCNNSNEGSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C)[NH+](C)C ZINC001049533040 1347895063 /nfs/dbraw/zinc/89/50/63/1347895063.db2.gz LXKGBBOBAYZDQJ-BZSNNMDCSA-N 2 1 337.552 3.074 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049533034 1347895107 /nfs/dbraw/zinc/89/51/07/1347895107.db2.gz LXFODVMGRSRKIJ-OTWHNJEPSA-N 2 1 337.552 3.074 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1=CCCCC1)[NH+](C)C ZINC001049532371 1347895480 /nfs/dbraw/zinc/89/54/80/1347895480.db2.gz IHDUVGJOCBGRHL-AABGKKOBSA-N 2 1 347.547 3.138 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCCC1 ZINC001049557014 1347908498 /nfs/dbraw/zinc/90/84/98/1347908498.db2.gz FOOJXBFMNCARLL-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCCC1 ZINC001049557014 1347908499 /nfs/dbraw/zinc/90/84/99/1347908499.db2.gz FOOJXBFMNCARLL-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCCC1 ZINC001049557014 1347908501 /nfs/dbraw/zinc/90/85/01/1347908501.db2.gz FOOJXBFMNCARLL-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049711320 1347986245 /nfs/dbraw/zinc/98/62/45/1347986245.db2.gz LXFODVMGRSRKIJ-IPMKNSEASA-N 2 1 337.552 3.074 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCC(C)(C)C)CC1 ZINC001049804690 1348028106 /nfs/dbraw/zinc/02/81/06/1348028106.db2.gz HLDBYURNMQSYSH-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820647 1348037509 /nfs/dbraw/zinc/03/75/09/1348037509.db2.gz LPTJMHHISLIPEY-DFQSSKMNSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049919394 1348112731 /nfs/dbraw/zinc/11/27/31/1348112731.db2.gz OVLHACQPTKDIPG-XUVXKRRUSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001049919394 1348112734 /nfs/dbraw/zinc/11/27/34/1348112734.db2.gz OVLHACQPTKDIPG-XUVXKRRUSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001049919394 1348112736 /nfs/dbraw/zinc/11/27/36/1348112736.db2.gz OVLHACQPTKDIPG-XUVXKRRUSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001050265229 1348222629 /nfs/dbraw/zinc/22/26/29/1348222629.db2.gz LMKNYQLLYYYOHB-OXQOHEQNSA-N 2 1 343.515 3.238 20 0 EGADMP CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001050270933 1348224262 /nfs/dbraw/zinc/22/42/62/1348224262.db2.gz BKAOPGDJKUIVJI-QFBILLFUSA-N 2 1 331.504 3.236 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001079848598 1357400459 /nfs/dbraw/zinc/40/04/59/1357400459.db2.gz CXFHZZNYJSDJKM-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C ZINC001079848598 1357400461 /nfs/dbraw/zinc/40/04/61/1357400461.db2.gz CXFHZZNYJSDJKM-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C ZINC001079848598 1357400464 /nfs/dbraw/zinc/40/04/64/1357400464.db2.gz CXFHZZNYJSDJKM-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)CC1 ZINC001050633691 1348309421 /nfs/dbraw/zinc/30/94/21/1348309421.db2.gz ZKXZDSXEOJJBHP-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001050764311 1348351704 /nfs/dbraw/zinc/35/17/04/1348351704.db2.gz BJXMZHWRSSUFRC-HDICACEKSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001052377115 1348535405 /nfs/dbraw/zinc/53/54/05/1348535405.db2.gz NJRWMDLUJXYNML-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001052377115 1348535409 /nfs/dbraw/zinc/53/54/09/1348535409.db2.gz NJRWMDLUJXYNML-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001052377115 1348535410 /nfs/dbraw/zinc/53/54/10/1348535410.db2.gz NJRWMDLUJXYNML-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CC3CC(C)(C)C3)CC2)CC[N@H+]1C ZINC001052395206 1348539482 /nfs/dbraw/zinc/53/94/82/1348539482.db2.gz NAHYVMFKMFISPN-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](CC3CC(C)(C)C3)CC2)CC[NH+]1C ZINC001052395206 1348539483 /nfs/dbraw/zinc/53/94/83/1348539483.db2.gz NAHYVMFKMFISPN-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC3CC(C)(C)C3)CC2)CC[NH+]1C ZINC001052395206 1348539485 /nfs/dbraw/zinc/53/94/85/1348539485.db2.gz NAHYVMFKMFISPN-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447424 1348543710 /nfs/dbraw/zinc/54/37/10/1348543710.db2.gz DVMPCZOZZBSVFN-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052447424 1348543711 /nfs/dbraw/zinc/54/37/11/1348543711.db2.gz DVMPCZOZZBSVFN-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052447424 1348543712 /nfs/dbraw/zinc/54/37/12/1348543712.db2.gz DVMPCZOZZBSVFN-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC3CCCCC3)CC2)CC1 ZINC001052677856 1348626364 /nfs/dbraw/zinc/62/63/64/1348626364.db2.gz RYEZBDIBFGYHBV-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CCCC3CCCC3)CC2)C1 ZINC001052712382 1348645010 /nfs/dbraw/zinc/64/50/10/1348645010.db2.gz HTFCLJOZXJUMFX-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCCC3CCCC3)CC2)C1 ZINC001052712382 1348645012 /nfs/dbraw/zinc/64/50/12/1348645012.db2.gz HTFCLJOZXJUMFX-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCCC3CCCC3)CC2)C1 ZINC001052712382 1348645015 /nfs/dbraw/zinc/64/50/15/1348645015.db2.gz HTFCLJOZXJUMFX-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052717764 1348647009 /nfs/dbraw/zinc/64/70/09/1348647009.db2.gz ZFOXSDOWWNHRRU-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)(C)CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001052717764 1348647013 /nfs/dbraw/zinc/64/70/13/1348647013.db2.gz ZFOXSDOWWNHRRU-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)(C)CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001052717764 1348647015 /nfs/dbraw/zinc/64/70/15/1348647015.db2.gz ZFOXSDOWWNHRRU-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@@H+](CCC(C)(C)C)CC2)CC1 ZINC001052766511 1348671125 /nfs/dbraw/zinc/67/11/25/1348671125.db2.gz FSKAEVHLATXKMX-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CC3CC(C)(C)C3)CC2)CC1 ZINC001052819716 1348689558 /nfs/dbraw/zinc/68/95/58/1348689558.db2.gz IHWAIMAJEMPFQY-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](CCCC3CCCC3)CC2)C1 ZINC001052868801 1348710635 /nfs/dbraw/zinc/71/06/35/1348710635.db2.gz YEWRBMGHVZYUTC-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@H+](CCCC3CCCC3)CC2)C1 ZINC001052868801 1348710638 /nfs/dbraw/zinc/71/06/38/1348710638.db2.gz YEWRBMGHVZYUTC-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@@H+](CCCC3CCCC3)CC2)C1 ZINC001052868801 1348710639 /nfs/dbraw/zinc/71/06/39/1348710639.db2.gz YEWRBMGHVZYUTC-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001052937621 1348756674 /nfs/dbraw/zinc/75/66/74/1348756674.db2.gz MLEGINNVLBQEBE-IBGZPJMESA-N 2 1 335.536 3.023 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001052955466 1348769149 /nfs/dbraw/zinc/76/91/49/1348769149.db2.gz GPUAGSVZBFQAPW-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001052955466 1348769154 /nfs/dbraw/zinc/76/91/54/1348769154.db2.gz GPUAGSVZBFQAPW-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001052955466 1348769158 /nfs/dbraw/zinc/76/91/58/1348769158.db2.gz GPUAGSVZBFQAPW-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053037358 1348837748 /nfs/dbraw/zinc/83/77/48/1348837748.db2.gz ZBHIRUZLKGAKKZ-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087672 1348911994 /nfs/dbraw/zinc/91/19/94/1348911994.db2.gz MWSINEPBPBXSNQ-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053087672 1348912000 /nfs/dbraw/zinc/91/20/00/1348912000.db2.gz MWSINEPBPBXSNQ-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053087672 1348912003 /nfs/dbraw/zinc/91/20/03/1348912003.db2.gz MWSINEPBPBXSNQ-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096766 1348926739 /nfs/dbraw/zinc/92/67/39/1348926739.db2.gz ZIOSRBXUDIDRDG-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001053098979 1348931136 /nfs/dbraw/zinc/93/11/36/1348931136.db2.gz RRFDDYTXHPGQCB-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001053098979 1348931139 /nfs/dbraw/zinc/93/11/39/1348931139.db2.gz RRFDDYTXHPGQCB-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001054197612 1349199767 /nfs/dbraw/zinc/19/97/67/1349199767.db2.gz FVEDWQBGIVOFRU-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001054197612 1349199768 /nfs/dbraw/zinc/19/97/68/1349199768.db2.gz FVEDWQBGIVOFRU-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001054197612 1349199773 /nfs/dbraw/zinc/19/97/73/1349199773.db2.gz FVEDWQBGIVOFRU-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245528 1349239576 /nfs/dbraw/zinc/23/95/76/1349239576.db2.gz UXQNXMPPTTVSCA-OAQYLSRUSA-N 2 1 347.547 3.143 20 0 EGADMP CCC(CC)C[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C)cc2C1 ZINC001054259309 1349254829 /nfs/dbraw/zinc/25/48/29/1349254829.db2.gz UKJCKYROADPTTI-FQEVSTJZSA-N 2 1 343.515 3.149 20 0 EGADMP CCC(CC)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)cc2C1 ZINC001054259309 1349254832 /nfs/dbraw/zinc/25/48/32/1349254832.db2.gz UKJCKYROADPTTI-FQEVSTJZSA-N 2 1 343.515 3.149 20 0 EGADMP CCC(CC)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C)cc2C1 ZINC001054259309 1349254835 /nfs/dbraw/zinc/25/48/35/1349254835.db2.gz UKJCKYROADPTTI-FQEVSTJZSA-N 2 1 343.515 3.149 20 0 EGADMP CC(C)C[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C(C)C)cc2C1 ZINC001054264413 1349261659 /nfs/dbraw/zinc/26/16/59/1349261659.db2.gz DNNVMDPAMAWCTA-HXUWFJFHSA-N 2 1 343.515 3.147 20 0 EGADMP CC(C)C[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)cc2C1 ZINC001054264413 1349261662 /nfs/dbraw/zinc/26/16/62/1349261662.db2.gz DNNVMDPAMAWCTA-HXUWFJFHSA-N 2 1 343.515 3.147 20 0 EGADMP CC(C)C[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)cc2C1 ZINC001054264413 1349261664 /nfs/dbraw/zinc/26/16/64/1349261664.db2.gz DNNVMDPAMAWCTA-HXUWFJFHSA-N 2 1 343.515 3.147 20 0 EGADMP CCCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2C1 ZINC001054278899 1349280285 /nfs/dbraw/zinc/28/02/85/1349280285.db2.gz QPGXVYYKMRFBSC-WMZOPIPTSA-N 2 1 343.515 3.149 20 0 EGADMP CCCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2C1 ZINC001054278899 1349280286 /nfs/dbraw/zinc/28/02/86/1349280286.db2.gz QPGXVYYKMRFBSC-WMZOPIPTSA-N 2 1 343.515 3.149 20 0 EGADMP CCCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2C1 ZINC001054278899 1349280291 /nfs/dbraw/zinc/28/02/91/1349280291.db2.gz QPGXVYYKMRFBSC-WMZOPIPTSA-N 2 1 343.515 3.149 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)cc2C1 ZINC001054290011 1349293943 /nfs/dbraw/zinc/29/39/43/1349293943.db2.gz YNVIYHBTYZSVHY-YLJYHZDGSA-N 2 1 343.515 3.149 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001183040375 1387255356 /nfs/dbraw/zinc/25/53/56/1387255356.db2.gz RBGHHLKKHLMDKW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC(C)(C)C2)C[C@H]1C ZINC001080556999 1357678537 /nfs/dbraw/zinc/67/85/37/1357678537.db2.gz AZMKJCVLVGVDCS-QRQLOZEOSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001080556999 1357678541 /nfs/dbraw/zinc/67/85/41/1357678541.db2.gz AZMKJCVLVGVDCS-QRQLOZEOSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001080556999 1357678545 /nfs/dbraw/zinc/67/85/45/1357678545.db2.gz AZMKJCVLVGVDCS-QRQLOZEOSA-N 2 1 349.563 3.122 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C[N@@H+]1CCC(C)(C)C ZINC001071769112 1354914742 /nfs/dbraw/zinc/91/47/42/1354914742.db2.gz LMJPVEBVVZXHAD-NVXWUHKLSA-N 2 1 349.519 3.360 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C[N@H+]1CCC(C)(C)C ZINC001071769112 1354914749 /nfs/dbraw/zinc/91/47/49/1354914749.db2.gz LMJPVEBVVZXHAD-NVXWUHKLSA-N 2 1 349.519 3.360 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CCCC1CCCC1 ZINC001071796672 1354941963 /nfs/dbraw/zinc/94/19/63/1354941963.db2.gz VNWUDWQRLFTNNI-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CC1=CCCCC1 ZINC001071821289 1354960645 /nfs/dbraw/zinc/96/06/45/1354960645.db2.gz MEOLKTLSNGOGFY-MJGOQNOKSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CC1=CCCCC1 ZINC001071821289 1354960649 /nfs/dbraw/zinc/96/06/49/1354960649.db2.gz MEOLKTLSNGOGFY-MJGOQNOKSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CC1=CCCCC1 ZINC001071821289 1354960651 /nfs/dbraw/zinc/96/06/51/1354960651.db2.gz MEOLKTLSNGOGFY-MJGOQNOKSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071896246 1355011986 /nfs/dbraw/zinc/01/19/86/1355011986.db2.gz FGSQPFDIUOPQLG-VQIMIIECSA-N 2 1 331.504 3.131 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001071920479 1355025271 /nfs/dbraw/zinc/02/52/71/1355025271.db2.gz SCOFZWFQDLZQHG-AZUAARDMSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001071972903 1355054006 /nfs/dbraw/zinc/05/40/06/1355054006.db2.gz CGIGTQXDPWXGNA-FXAWDEMLSA-N 2 1 347.547 3.044 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073462638 1355795984 /nfs/dbraw/zinc/79/59/84/1355795984.db2.gz VPBXULIFTIMLFX-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1=CCCCC1)C1CCC1 ZINC001074023822 1356040309 /nfs/dbraw/zinc/04/03/09/1356040309.db2.gz IMNKVXYYEHLKGQ-HXUWFJFHSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001074023822 1356040312 /nfs/dbraw/zinc/04/03/12/1356040312.db2.gz IMNKVXYYEHLKGQ-HXUWFJFHSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001074023822 1356040314 /nfs/dbraw/zinc/04/03/14/1356040314.db2.gz IMNKVXYYEHLKGQ-HXUWFJFHSA-N 2 1 347.547 3.284 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC001074100137 1356083765 /nfs/dbraw/zinc/08/37/65/1356083765.db2.gz SEGZLUOEDQUHEO-LJQANCHMSA-N 2 1 344.503 3.005 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC001074100137 1356083768 /nfs/dbraw/zinc/08/37/68/1356083768.db2.gz SEGZLUOEDQUHEO-LJQANCHMSA-N 2 1 344.503 3.005 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)[C@@H]1C ZINC001074877912 1356276636 /nfs/dbraw/zinc/27/66/36/1356276636.db2.gz RRVSTXREXKLADI-LNLFQRSKSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)[C@@H]1C ZINC001074877438 1356276820 /nfs/dbraw/zinc/27/68/20/1356276820.db2.gz BYNXGXWJYFZQSC-LNLFQRSKSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)[C@@H]1C ZINC001074877436 1356276835 /nfs/dbraw/zinc/27/68/35/1356276835.db2.gz BYNXGXWJYFZQSC-AOIWGVFYSA-N 2 1 349.563 3.266 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NC[C@H]2CCC(C)(C)C[NH+]2CCC2CC2)C1 ZINC001099239648 1363708747 /nfs/dbraw/zinc/70/87/47/1363708747.db2.gz IHNXHIQSNREYDZ-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC[NH+](CC(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CCC2CC2)C1 ZINC001099239648 1363708751 /nfs/dbraw/zinc/70/87/51/1363708751.db2.gz IHNXHIQSNREYDZ-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC[NH+](CC(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CCC2CC2)C1 ZINC001099239648 1363708752 /nfs/dbraw/zinc/70/87/52/1363708752.db2.gz IHNXHIQSNREYDZ-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405394 1358207669 /nfs/dbraw/zinc/20/76/69/1358207669.db2.gz LGUDQRQNTXKDBK-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084405394 1358207670 /nfs/dbraw/zinc/20/76/70/1358207670.db2.gz LGUDQRQNTXKDBK-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084405394 1358207672 /nfs/dbraw/zinc/20/76/72/1358207672.db2.gz LGUDQRQNTXKDBK-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701555 1358286675 /nfs/dbraw/zinc/28/66/75/1358286675.db2.gz IWSWOQSGKYKKSQ-VAMGGRTRSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084701555 1358286677 /nfs/dbraw/zinc/28/66/77/1358286677.db2.gz IWSWOQSGKYKKSQ-VAMGGRTRSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084701555 1358286679 /nfs/dbraw/zinc/28/66/79/1358286679.db2.gz IWSWOQSGKYKKSQ-VAMGGRTRSA-N 2 1 349.563 3.218 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001323309993 1387332429 /nfs/dbraw/zinc/33/24/29/1387332429.db2.gz KKTPHIDDLXHCKD-UHFFFAOYSA-N 2 1 336.549 3.215 20 0 EGADMP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085224922 1358437604 /nfs/dbraw/zinc/43/76/04/1358437604.db2.gz ARVMLHMMIRDUHD-GUDVDZBRSA-N 2 1 335.536 3.066 20 0 EGADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085307038 1358461637 /nfs/dbraw/zinc/46/16/37/1358461637.db2.gz COLNXAVITTZRLD-VAMGGRTRSA-N 2 1 347.547 3.211 20 0 EGADMP CN(C[C@@H]1CC[N@@H+]1CC1CCCC1)C(=O)c1sccc1C[NH+](C)C ZINC001085623488 1358643593 /nfs/dbraw/zinc/64/35/93/1358643593.db2.gz UDGQJODNTBLBOO-KRWDZBQOSA-N 2 1 349.544 3.146 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CC1CCCC1)C(=O)c1sccc1C[NH+](C)C ZINC001085623488 1358643595 /nfs/dbraw/zinc/64/35/95/1358643595.db2.gz UDGQJODNTBLBOO-KRWDZBQOSA-N 2 1 349.544 3.146 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085629001 1358646591 /nfs/dbraw/zinc/64/65/91/1358646591.db2.gz JMYLREFEWFRGRF-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001085629001 1358646593 /nfs/dbraw/zinc/64/65/93/1358646593.db2.gz JMYLREFEWFRGRF-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001085629001 1358646595 /nfs/dbraw/zinc/64/65/95/1358646595.db2.gz JMYLREFEWFRGRF-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085639555 1358653128 /nfs/dbraw/zinc/65/31/28/1358653128.db2.gz RDHRTPSZRQEFQV-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639555 1358653133 /nfs/dbraw/zinc/65/31/33/1358653133.db2.gz RDHRTPSZRQEFQV-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085639555 1358653138 /nfs/dbraw/zinc/65/31/38/1358653138.db2.gz RDHRTPSZRQEFQV-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085725310 1358713816 /nfs/dbraw/zinc/71/38/16/1358713816.db2.gz SEKYINFNWCMEBH-OXJNMPFZSA-N 2 1 348.450 3.242 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2CC(C)(C)C2)C1 ZINC001085778750 1358753562 /nfs/dbraw/zinc/75/35/62/1358753562.db2.gz GMHLEOBGVZRMLC-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC2CC(C)(C)C2)C1 ZINC001085778750 1358753563 /nfs/dbraw/zinc/75/35/63/1358753563.db2.gz GMHLEOBGVZRMLC-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC2CC(C)(C)C2)C1 ZINC001085778750 1358753565 /nfs/dbraw/zinc/75/35/65/1358753565.db2.gz GMHLEOBGVZRMLC-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001085855889 1358822716 /nfs/dbraw/zinc/82/27/16/1358822716.db2.gz LZHIQLFOVNFHCJ-OALUTQOASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001085855889 1358822717 /nfs/dbraw/zinc/82/27/17/1358822717.db2.gz LZHIQLFOVNFHCJ-OALUTQOASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001085855889 1358822721 /nfs/dbraw/zinc/82/27/21/1358822721.db2.gz LZHIQLFOVNFHCJ-OALUTQOASA-N 2 1 349.563 3.218 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCCCC3)C2)CC[N@H+]1C ZINC001086090513 1358993216 /nfs/dbraw/zinc/99/32/16/1358993216.db2.gz CJAYONJXIDQWKK-RSPOEFSDSA-N 2 1 349.563 3.172 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCCC3)C2)CC[N@H+]1C ZINC001086091350 1358993458 /nfs/dbraw/zinc/99/34/58/1358993458.db2.gz SXNRWUHIBFXOSX-ZGXWSNOMSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086102293 1358997517 /nfs/dbraw/zinc/99/75/17/1358997517.db2.gz QFJXUDNATVYHAZ-ZCFHBRKKSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086133990 1359005421 /nfs/dbraw/zinc/00/54/21/1359005421.db2.gz MTJYDSYTNJAZIR-HSALFYBXSA-N 2 1 349.563 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086278512 1359051764 /nfs/dbraw/zinc/05/17/64/1359051764.db2.gz ZETLGXRALUUQSF-ZCNNSNEGSA-N 2 1 347.547 3.236 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001086497406 1359120443 /nfs/dbraw/zinc/12/04/43/1359120443.db2.gz KOLGEXFZRIMWJL-VAMGGRTRSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C[C@H]1O ZINC001183991574 1387379128 /nfs/dbraw/zinc/37/91/28/1387379128.db2.gz LMFSKEWAADVTFZ-YFVAEKQCSA-N 2 1 330.516 3.237 20 0 EGADMP C[C@@H]1C[NH+](C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C[C@H]1O ZINC001183991574 1387379129 /nfs/dbraw/zinc/37/91/29/1387379129.db2.gz LMFSKEWAADVTFZ-YFVAEKQCSA-N 2 1 330.516 3.237 20 0 EGADMP C[C@@H]1C[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1O ZINC001183991574 1387379130 /nfs/dbraw/zinc/37/91/30/1387379130.db2.gz LMFSKEWAADVTFZ-YFVAEKQCSA-N 2 1 330.516 3.237 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001086875602 1359219253 /nfs/dbraw/zinc/21/92/53/1359219253.db2.gz YLQPLVGWXSCYSG-GBESFXJTSA-N 2 1 349.563 3.029 20 0 EGADMP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3cc[nH+]c3C(C)C)C2)CC1 ZINC001086945627 1359267083 /nfs/dbraw/zinc/26/70/83/1359267083.db2.gz FZFWHJHCCMXZAQ-KRWDZBQOSA-N 2 1 346.519 3.120 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087601742 1359549668 /nfs/dbraw/zinc/54/96/68/1359549668.db2.gz IDXATEXLFFYZLI-RCCFBDPRSA-N 2 1 346.519 3.166 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087601742 1359549671 /nfs/dbraw/zinc/54/96/71/1359549671.db2.gz IDXATEXLFFYZLI-RCCFBDPRSA-N 2 1 346.519 3.166 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCC(C)(C)C ZINC001087750204 1359627388 /nfs/dbraw/zinc/62/73/88/1359627388.db2.gz XVHSILGDJSJKSJ-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@H+]1CC1CCCCC1 ZINC001087840682 1359675074 /nfs/dbraw/zinc/67/50/74/1359675074.db2.gz JCOSPAIMHJCGFG-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC[NH+]1CC1CCCCC1 ZINC001087840682 1359675076 /nfs/dbraw/zinc/67/50/76/1359675076.db2.gz JCOSPAIMHJCGFG-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC[NH+]1CC1CCCCC1 ZINC001087840682 1359675083 /nfs/dbraw/zinc/67/50/83/1359675083.db2.gz JCOSPAIMHJCGFG-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001088280728 1359825554 /nfs/dbraw/zinc/82/55/54/1359825554.db2.gz YOVPWRKCNJSZIR-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCCC[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001088381633 1359865320 /nfs/dbraw/zinc/86/53/20/1359865320.db2.gz JEODMZPGRCCHDO-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001088381492 1359865405 /nfs/dbraw/zinc/86/54/05/1359865405.db2.gz FYSJEGABSXCKBH-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]C(C)C)C1 ZINC001088411908 1359883453 /nfs/dbraw/zinc/88/34/53/1359883453.db2.gz SVCRQAUYFDZFEV-OALUTQOASA-N 2 1 337.552 3.410 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001088431264 1359898803 /nfs/dbraw/zinc/89/88/03/1359898803.db2.gz NZNHJCYPBFGPTK-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CCCC1CCC1 ZINC001088567364 1359977205 /nfs/dbraw/zinc/97/72/05/1359977205.db2.gz JKZGTNIGLPROCC-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1CC1CCCC1 ZINC001088600529 1359987681 /nfs/dbraw/zinc/98/76/81/1359987681.db2.gz UYRDIBPAPYECIF-PBHICJAKSA-N 2 1 349.544 3.193 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@H+]1CC1CCCC1 ZINC001088600529 1359987685 /nfs/dbraw/zinc/98/76/85/1359987685.db2.gz UYRDIBPAPYECIF-PBHICJAKSA-N 2 1 349.544 3.193 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001088692870 1360013983 /nfs/dbraw/zinc/01/39/83/1360013983.db2.gz BBNUSQVFDMSFGF-NEWSRXKRSA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H]1C ZINC001088692870 1360013986 /nfs/dbraw/zinc/01/39/86/1360013986.db2.gz BBNUSQVFDMSFGF-NEWSRXKRSA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H]1C ZINC001088692870 1360013988 /nfs/dbraw/zinc/01/39/88/1360013988.db2.gz BBNUSQVFDMSFGF-NEWSRXKRSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1CCC(C)CC1 ZINC001088792080 1360046503 /nfs/dbraw/zinc/04/65/03/1360046503.db2.gz UAHCDKBSQNRDDM-CHPDAQJUSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CCC1CCCC1 ZINC001088792478 1360046714 /nfs/dbraw/zinc/04/67/14/1360046714.db2.gz PSWBYFODEPNWBO-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897753 1360097165 /nfs/dbraw/zinc/09/71/65/1360097165.db2.gz VYIWWBTXXJOWGK-LMMKCTJWSA-N 2 1 349.563 3.266 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)[C@@H]1C ZINC001089061091 1360152182 /nfs/dbraw/zinc/15/21/82/1360152182.db2.gz XSJIRPKYILQCOX-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)[C@@H]1C ZINC001089061091 1360152191 /nfs/dbraw/zinc/15/21/91/1360152191.db2.gz XSJIRPKYILQCOX-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)[C@@H]1C ZINC001089061091 1360152194 /nfs/dbraw/zinc/15/21/94/1360152194.db2.gz XSJIRPKYILQCOX-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001089060949 1360152794 /nfs/dbraw/zinc/15/27/94/1360152794.db2.gz PAPKUIWKRSVXLP-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1C ZINC001089060949 1360152798 /nfs/dbraw/zinc/15/27/98/1360152798.db2.gz PAPKUIWKRSVXLP-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1C ZINC001089060949 1360152802 /nfs/dbraw/zinc/15/28/02/1360152802.db2.gz PAPKUIWKRSVXLP-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCCCC1 ZINC001089199696 1360246792 /nfs/dbraw/zinc/24/67/92/1360246792.db2.gz WIGCMYXKEPTBQR-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCCCC1 ZINC001089199696 1360246793 /nfs/dbraw/zinc/24/67/93/1360246793.db2.gz WIGCMYXKEPTBQR-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001089215584 1360261384 /nfs/dbraw/zinc/26/13/84/1360261384.db2.gz TZMCNQVVRSINHZ-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001089215584 1360261386 /nfs/dbraw/zinc/26/13/86/1360261386.db2.gz TZMCNQVVRSINHZ-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001089215584 1360261389 /nfs/dbraw/zinc/26/13/89/1360261389.db2.gz TZMCNQVVRSINHZ-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383405 1360385587 /nfs/dbraw/zinc/38/55/87/1360385587.db2.gz YCFANCNTTFZFBA-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089383405 1360385590 /nfs/dbraw/zinc/38/55/90/1360385590.db2.gz YCFANCNTTFZFBA-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089383405 1360385592 /nfs/dbraw/zinc/38/55/92/1360385592.db2.gz YCFANCNTTFZFBA-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406121 1360404311 /nfs/dbraw/zinc/40/43/11/1360404311.db2.gz HQQRXQJWKGNDND-DLBZAZTESA-N 2 1 346.519 3.167 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406121 1360404314 /nfs/dbraw/zinc/40/43/14/1360404314.db2.gz HQQRXQJWKGNDND-DLBZAZTESA-N 2 1 346.519 3.167 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089407476 1360405890 /nfs/dbraw/zinc/40/58/90/1360405890.db2.gz ZYKNVVZEBWUQKB-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089407476 1360405891 /nfs/dbraw/zinc/40/58/91/1360405891.db2.gz ZYKNVVZEBWUQKB-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089407476 1360405893 /nfs/dbraw/zinc/40/58/93/1360405893.db2.gz ZYKNVVZEBWUQKB-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C(C)C)CC(C)(C)C1 ZINC001089428561 1360420217 /nfs/dbraw/zinc/42/02/17/1360420217.db2.gz ZGQZDYAUXZSVIV-MSOLQXFVSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C(C)C)CC(C)(C)C1 ZINC001089428561 1360420219 /nfs/dbraw/zinc/42/02/19/1360420219.db2.gz ZGQZDYAUXZSVIV-MSOLQXFVSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C(C)C)CC(C)(C)C1 ZINC001089428561 1360420220 /nfs/dbraw/zinc/42/02/20/1360420220.db2.gz ZGQZDYAUXZSVIV-MSOLQXFVSA-N 2 1 337.552 3.122 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089446637 1360435465 /nfs/dbraw/zinc/43/54/65/1360435465.db2.gz YNBNLHHDFTZHLM-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089509938 1360481303 /nfs/dbraw/zinc/48/13/03/1360481303.db2.gz KUYVXWOCLRSUSE-LJQANCHMSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089540913 1360497790 /nfs/dbraw/zinc/49/77/90/1360497790.db2.gz ZRAAYMBTVOVKEL-MRXNPFEDSA-N 2 1 346.519 3.024 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089540913 1360497793 /nfs/dbraw/zinc/49/77/93/1360497793.db2.gz ZRAAYMBTVOVKEL-MRXNPFEDSA-N 2 1 346.519 3.024 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CCC2)CC[N@H+]1C ZINC001089642202 1360555382 /nfs/dbraw/zinc/55/53/82/1360555382.db2.gz DZMOJEZXWNCPNT-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC2CCC2)CC[NH+]1C ZINC001089642202 1360555385 /nfs/dbraw/zinc/55/53/85/1360555385.db2.gz DZMOJEZXWNCPNT-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC2CCC2)CC[NH+]1C ZINC001089642202 1360555388 /nfs/dbraw/zinc/55/53/88/1360555388.db2.gz DZMOJEZXWNCPNT-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001089660762 1360572026 /nfs/dbraw/zinc/57/20/26/1360572026.db2.gz PSHJEWXWORTVPT-INIZCTEOSA-N 2 1 342.487 3.273 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001091112154 1360993743 /nfs/dbraw/zinc/99/37/43/1360993743.db2.gz JPWCVZWCSMDZIG-NKELODKYSA-N 2 1 349.563 3.027 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCC2CC([NH2+]CCC3CCCCC3)C2)CC[N@H+]1C ZINC001091201851 1361005711 /nfs/dbraw/zinc/00/57/11/1361005711.db2.gz KFEWMKPBBBGADS-VHBXLISGSA-N 2 1 349.563 3.172 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[C@@H]([NH2+]Cc2ccsc2)C1)C1CCCCC1 ZINC001184609794 1387499985 /nfs/dbraw/zinc/49/99/85/1387499985.db2.gz UIRDFQPBTRKIGD-QGZVFWFLSA-N 2 1 349.544 3.093 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092736781 1361451064 /nfs/dbraw/zinc/45/10/64/1361451064.db2.gz YJAOJJVJGBOTCU-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001092736781 1361451066 /nfs/dbraw/zinc/45/10/66/1361451066.db2.gz YJAOJJVJGBOTCU-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001092736781 1361451068 /nfs/dbraw/zinc/45/10/68/1361451068.db2.gz YJAOJJVJGBOTCU-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCC1)CC2 ZINC001094449915 1361804976 /nfs/dbraw/zinc/80/49/76/1361804976.db2.gz ZDPAHVJVMKHPCH-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2 ZINC001094449915 1361804978 /nfs/dbraw/zinc/80/49/78/1361804978.db2.gz ZDPAHVJVMKHPCH-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2 ZINC001094449915 1361804981 /nfs/dbraw/zinc/80/49/81/1361804981.db2.gz ZDPAHVJVMKHPCH-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC)CC3)o1 ZINC001094587734 1361873019 /nfs/dbraw/zinc/87/30/19/1361873019.db2.gz RARJNPHJAUYAEK-UYAOXDASSA-N 2 1 347.503 3.116 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001095863590 1362258263 /nfs/dbraw/zinc/25/82/63/1362258263.db2.gz WBVVCFWPHHMILJ-SQNIBIBYSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1=CCCCC1 ZINC001096014071 1362334973 /nfs/dbraw/zinc/33/49/73/1362334973.db2.gz YKMZWAVUZRAOLA-RNQOJCNYSA-N 2 1 345.531 3.083 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1=CCCCC1 ZINC001096014071 1362334976 /nfs/dbraw/zinc/33/49/76/1362334976.db2.gz YKMZWAVUZRAOLA-RNQOJCNYSA-N 2 1 345.531 3.083 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCC2)C1 ZINC001096015768 1362335257 /nfs/dbraw/zinc/33/52/57/1362335257.db2.gz RPAOTMFVHPQKEL-RNQOJCNYSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCCC2)C1 ZINC001096015768 1362335260 /nfs/dbraw/zinc/33/52/60/1362335260.db2.gz RPAOTMFVHPQKEL-RNQOJCNYSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCCC2)C1 ZINC001096015768 1362335263 /nfs/dbraw/zinc/33/52/63/1362335263.db2.gz RPAOTMFVHPQKEL-RNQOJCNYSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097218863 1362890203 /nfs/dbraw/zinc/89/02/03/1362890203.db2.gz LPLOJFYPPFKVRW-ZRNYENFQSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001097218863 1362890206 /nfs/dbraw/zinc/89/02/06/1362890206.db2.gz LPLOJFYPPFKVRW-ZRNYENFQSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001097218863 1362890210 /nfs/dbraw/zinc/89/02/10/1362890210.db2.gz LPLOJFYPPFKVRW-ZRNYENFQSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001097220365 1362890441 /nfs/dbraw/zinc/89/04/41/1362890441.db2.gz PWUGDPVEPHCTSK-MANSERQUSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001097220365 1362890444 /nfs/dbraw/zinc/89/04/44/1362890444.db2.gz PWUGDPVEPHCTSK-MANSERQUSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001097220365 1362890447 /nfs/dbraw/zinc/89/04/47/1362890447.db2.gz PWUGDPVEPHCTSK-MANSERQUSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001097974341 1363185375 /nfs/dbraw/zinc/18/53/75/1363185375.db2.gz IJXGUTNLEISZDN-YRXWBPOGSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001097974341 1363185378 /nfs/dbraw/zinc/18/53/78/1363185378.db2.gz IJXGUTNLEISZDN-YRXWBPOGSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001097974341 1363185380 /nfs/dbraw/zinc/18/53/80/1363185380.db2.gz IJXGUTNLEISZDN-YRXWBPOGSA-N 2 1 349.563 3.407 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCC2)CC1 ZINC001097975733 1363186243 /nfs/dbraw/zinc/18/62/43/1363186243.db2.gz BBWHMVACBXOPCK-AQNXPRMDSA-N 2 1 347.547 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001098463957 1363333363 /nfs/dbraw/zinc/33/33/63/1363333363.db2.gz IYMYKLQRSIYIIF-AKHDSKFASA-N 2 1 347.547 3.019 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1 ZINC001098463957 1363333364 /nfs/dbraw/zinc/33/33/64/1363333364.db2.gz IYMYKLQRSIYIIF-AKHDSKFASA-N 2 1 347.547 3.019 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1 ZINC001098463957 1363333369 /nfs/dbraw/zinc/33/33/69/1363333369.db2.gz IYMYKLQRSIYIIF-AKHDSKFASA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001098837438 1363487257 /nfs/dbraw/zinc/48/72/57/1363487257.db2.gz PTLOPGRSFSCKOQ-LQWHRVPQSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001098837438 1363487258 /nfs/dbraw/zinc/48/72/58/1363487258.db2.gz PTLOPGRSFSCKOQ-LQWHRVPQSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001098837438 1363487259 /nfs/dbraw/zinc/48/72/59/1363487259.db2.gz PTLOPGRSFSCKOQ-LQWHRVPQSA-N 2 1 347.547 3.020 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110720 1363628388 /nfs/dbraw/zinc/62/83/88/1363628388.db2.gz HJMFAJNRFWAPRM-RURPWVQCSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099110720 1363628391 /nfs/dbraw/zinc/62/83/91/1363628391.db2.gz HJMFAJNRFWAPRM-RURPWVQCSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001099110720 1363628393 /nfs/dbraw/zinc/62/83/93/1363628393.db2.gz HJMFAJNRFWAPRM-RURPWVQCSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110718 1363628664 /nfs/dbraw/zinc/62/86/64/1363628664.db2.gz HJMFAJNRFWAPRM-LIXSYLKWSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099110718 1363628667 /nfs/dbraw/zinc/62/86/67/1363628667.db2.gz HJMFAJNRFWAPRM-LIXSYLKWSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001099110718 1363628670 /nfs/dbraw/zinc/62/86/70/1363628670.db2.gz HJMFAJNRFWAPRM-LIXSYLKWSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@H](C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099111140 1363629077 /nfs/dbraw/zinc/62/90/77/1363629077.db2.gz SEINFRSGBHRIBL-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099111140 1363629079 /nfs/dbraw/zinc/62/90/79/1363629079.db2.gz SEINFRSGBHRIBL-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001099111140 1363629082 /nfs/dbraw/zinc/62/90/82/1363629082.db2.gz SEINFRSGBHRIBL-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001099131043 1363643827 /nfs/dbraw/zinc/64/38/27/1363643827.db2.gz VYWJRYIMUDWROH-QGZVFWFLSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001099131043 1363643831 /nfs/dbraw/zinc/64/38/31/1363643831.db2.gz VYWJRYIMUDWROH-QGZVFWFLSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001099131043 1363643834 /nfs/dbraw/zinc/64/38/34/1363643834.db2.gz VYWJRYIMUDWROH-QGZVFWFLSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099144153 1363652618 /nfs/dbraw/zinc/65/26/18/1363652618.db2.gz ABNPEXBMSMQLOE-SFHVURJKSA-N 2 1 348.535 3.379 20 0 EGADMP CCCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099144153 1363652619 /nfs/dbraw/zinc/65/26/19/1363652619.db2.gz ABNPEXBMSMQLOE-SFHVURJKSA-N 2 1 348.535 3.379 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC1)[NH+](CC)CC ZINC001099228974 1363702495 /nfs/dbraw/zinc/70/24/95/1363702495.db2.gz FGYPXLRMTYMXDY-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC1)[NH+]1CCCCCC1 ZINC001099251376 1363713416 /nfs/dbraw/zinc/71/34/16/1363713416.db2.gz JFZAKMHRBKGZGD-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCCCCF ZINC001099299020 1363737883 /nfs/dbraw/zinc/73/78/83/1363737883.db2.gz QQGDOOZNEBEDJY-QGZVFWFLSA-N 2 1 343.531 3.075 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCCCF ZINC001099299020 1363737887 /nfs/dbraw/zinc/73/78/87/1363737887.db2.gz QQGDOOZNEBEDJY-QGZVFWFLSA-N 2 1 343.531 3.075 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCCCF ZINC001099299020 1363737890 /nfs/dbraw/zinc/73/78/90/1363737890.db2.gz QQGDOOZNEBEDJY-QGZVFWFLSA-N 2 1 343.531 3.075 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1C[C@H](F)CC ZINC001099320972 1363748179 /nfs/dbraw/zinc/74/81/79/1363748179.db2.gz NIHOVTWLFSXCFN-IAGOWNOFSA-N 2 1 343.531 3.073 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1C[C@H](F)CC ZINC001099320972 1363748182 /nfs/dbraw/zinc/74/81/82/1363748182.db2.gz NIHOVTWLFSXCFN-IAGOWNOFSA-N 2 1 343.531 3.073 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1C[C@H](F)CC ZINC001099320972 1363748183 /nfs/dbraw/zinc/74/81/83/1363748183.db2.gz NIHOVTWLFSXCFN-IAGOWNOFSA-N 2 1 343.531 3.073 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099338822 1363758607 /nfs/dbraw/zinc/75/86/07/1363758607.db2.gz ATCWZPXKMVPZBB-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001099349290 1363765255 /nfs/dbraw/zinc/76/52/55/1363765255.db2.gz OXYNFHMADFPDJB-MOPGFXCFSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001099349290 1363765258 /nfs/dbraw/zinc/76/52/58/1363765258.db2.gz OXYNFHMADFPDJB-MOPGFXCFSA-N 2 1 345.531 3.306 20 0 EGADMP CCCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548612 1363841875 /nfs/dbraw/zinc/84/18/75/1363841875.db2.gz YGJKHHYDICINHG-YRPNKDGESA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CCC ZINC001099548612 1363841878 /nfs/dbraw/zinc/84/18/78/1363841878.db2.gz YGJKHHYDICINHG-YRPNKDGESA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CCC ZINC001099548612 1363841879 /nfs/dbraw/zinc/84/18/79/1363841879.db2.gz YGJKHHYDICINHG-YRPNKDGESA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548611 1363842096 /nfs/dbraw/zinc/84/20/96/1363842096.db2.gz YGJKHHYDICINHG-NMLBUPMWSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CCC ZINC001099548611 1363842098 /nfs/dbraw/zinc/84/20/98/1363842098.db2.gz YGJKHHYDICINHG-NMLBUPMWSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CCC ZINC001099548611 1363842101 /nfs/dbraw/zinc/84/21/01/1363842101.db2.gz YGJKHHYDICINHG-NMLBUPMWSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099548179 1363842231 /nfs/dbraw/zinc/84/22/31/1363842231.db2.gz QZBOQGNEWGYLCV-NMLBUPMWSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185235510 1387657540 /nfs/dbraw/zinc/65/75/40/1387657540.db2.gz PKKDJOSGCKTPIR-MSOLQXFVSA-N 2 1 348.535 3.127 20 0 EGADMP CC/C=C\CC[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001100406723 1364104149 /nfs/dbraw/zinc/10/41/49/1364104149.db2.gz KJOHPSIVGGKKBS-MZCYRKOTSA-N 2 1 335.536 3.090 20 0 EGADMP CCCCC[NH2+]C1CC(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001100860033 1364296229 /nfs/dbraw/zinc/29/62/29/1364296229.db2.gz NRZACWWQWPSPNM-LYBXBRPPSA-N 2 1 345.531 3.354 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101271738 1364493428 /nfs/dbraw/zinc/49/34/28/1364493428.db2.gz UTEYTAIQKUNYMC-DYXWJJEUSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101271738 1364493429 /nfs/dbraw/zinc/49/34/29/1364493429.db2.gz UTEYTAIQKUNYMC-DYXWJJEUSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101271738 1364493432 /nfs/dbraw/zinc/49/34/32/1364493432.db2.gz UTEYTAIQKUNYMC-DYXWJJEUSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365727 1364529885 /nfs/dbraw/zinc/52/98/85/1364529885.db2.gz GVTRXCNEGXTVOR-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365727 1364529888 /nfs/dbraw/zinc/52/98/88/1364529888.db2.gz GVTRXCNEGXTVOR-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365727 1364529889 /nfs/dbraw/zinc/52/98/89/1364529889.db2.gz GVTRXCNEGXTVOR-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001101381213 1364538366 /nfs/dbraw/zinc/53/83/66/1364538366.db2.gz GMIAWCPHJJPLHF-SBHAEUEKSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001101579274 1364631411 /nfs/dbraw/zinc/63/14/11/1364631411.db2.gz ATVDGZUAXUINCC-UHFFFAOYSA-N 2 1 348.535 3.269 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001101582297 1364634917 /nfs/dbraw/zinc/63/49/17/1364634917.db2.gz JGYAABZLKFLUKO-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001101597259 1364647722 /nfs/dbraw/zinc/64/77/22/1364647722.db2.gz BUAKBCPUQNNFSC-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001102114858 1364866078 /nfs/dbraw/zinc/86/60/78/1364866078.db2.gz HATZVBHWNQPGAJ-VJQBDMSCSA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC001102114858 1364866084 /nfs/dbraw/zinc/86/60/84/1364866084.db2.gz HATZVBHWNQPGAJ-VJQBDMSCSA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H](C)C1 ZINC001102114858 1364866097 /nfs/dbraw/zinc/86/60/97/1364866097.db2.gz HATZVBHWNQPGAJ-VJQBDMSCSA-N 2 1 349.563 3.147 20 0 EGADMP CCCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC001102189915 1364923969 /nfs/dbraw/zinc/92/39/69/1364923969.db2.gz ICWGRPMLEWHUFJ-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001102189915 1364923972 /nfs/dbraw/zinc/92/39/72/1364923972.db2.gz ICWGRPMLEWHUFJ-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001102189915 1364923976 /nfs/dbraw/zinc/92/39/76/1364923976.db2.gz ICWGRPMLEWHUFJ-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102366997 1365025685 /nfs/dbraw/zinc/02/56/85/1365025685.db2.gz XRCFQMOJEWSKLF-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001102366997 1365025686 /nfs/dbraw/zinc/02/56/86/1365025686.db2.gz XRCFQMOJEWSKLF-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001102366997 1365025690 /nfs/dbraw/zinc/02/56/90/1365025690.db2.gz XRCFQMOJEWSKLF-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103149598 1365410824 /nfs/dbraw/zinc/41/08/24/1365410824.db2.gz DDGQFKOPKBNUDT-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001103149598 1365410826 /nfs/dbraw/zinc/41/08/26/1365410826.db2.gz DDGQFKOPKBNUDT-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001103149598 1365410829 /nfs/dbraw/zinc/41/08/29/1365410829.db2.gz DDGQFKOPKBNUDT-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001103168753 1365418837 /nfs/dbraw/zinc/41/88/37/1365418837.db2.gz WDAOVZSTBKVLNS-IAGOWNOFSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001103168753 1365418840 /nfs/dbraw/zinc/41/88/40/1365418840.db2.gz WDAOVZSTBKVLNS-IAGOWNOFSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001103168753 1365418841 /nfs/dbraw/zinc/41/88/41/1365418841.db2.gz WDAOVZSTBKVLNS-IAGOWNOFSA-N 2 1 337.552 3.122 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)c1 ZINC001103398284 1365535612 /nfs/dbraw/zinc/53/56/12/1365535612.db2.gz LKUFAGVMNRJXII-QWFCFKBJSA-N 2 1 345.531 3.082 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C ZINC001103533928 1365618246 /nfs/dbraw/zinc/61/82/46/1365618246.db2.gz JIWAJHUSEDCMIQ-IEBWSBKVSA-N 2 1 348.535 3.092 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001103533928 1365618250 /nfs/dbraw/zinc/61/82/50/1365618250.db2.gz JIWAJHUSEDCMIQ-IEBWSBKVSA-N 2 1 348.535 3.092 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C)C(C)C ZINC001103544493 1365625301 /nfs/dbraw/zinc/62/53/01/1365625301.db2.gz VBGUGPBTRNLEQO-QRVBRYPASA-N 2 1 339.568 3.083 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001103598469 1365664152 /nfs/dbraw/zinc/66/41/52/1365664152.db2.gz NRHODMWSHCGSRX-UYAOXDASSA-N 2 1 349.563 3.147 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001103662745 1365710694 /nfs/dbraw/zinc/71/06/94/1365710694.db2.gz OHHCBBRYKHEEGK-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001103662745 1365710695 /nfs/dbraw/zinc/71/06/95/1365710695.db2.gz OHHCBBRYKHEEGK-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C ZINC001103662745 1365710701 /nfs/dbraw/zinc/71/07/01/1365710701.db2.gz OHHCBBRYKHEEGK-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CC(CC)CC)C[C@H]1C ZINC001103662782 1365710856 /nfs/dbraw/zinc/71/08/56/1365710856.db2.gz QHKLYRUGNNLTQX-IEBWSBKVSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CC(CC)CC)C[C@H]1C ZINC001103662782 1365710859 /nfs/dbraw/zinc/71/08/59/1365710859.db2.gz QHKLYRUGNNLTQX-IEBWSBKVSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001103662782 1365710860 /nfs/dbraw/zinc/71/08/60/1365710860.db2.gz QHKLYRUGNNLTQX-IEBWSBKVSA-N 2 1 339.568 3.229 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001104185499 1365941610 /nfs/dbraw/zinc/94/16/10/1365941610.db2.gz GEZJRKTVSWRXCS-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC001185681433 1387776417 /nfs/dbraw/zinc/77/64/17/1387776417.db2.gz KKUKHTZFGMCPHB-FUHWJXTLSA-N 2 1 348.535 3.092 20 0 EGADMP CCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001104264741 1365971780 /nfs/dbraw/zinc/97/17/80/1365971780.db2.gz CDFPDLTXCIFWKF-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105396647 1366445163 /nfs/dbraw/zinc/44/51/63/1366445163.db2.gz RJEDFWQJXNUYPV-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001105396647 1366445165 /nfs/dbraw/zinc/44/51/65/1366445165.db2.gz RJEDFWQJXNUYPV-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001105396647 1366445167 /nfs/dbraw/zinc/44/51/67/1366445167.db2.gz RJEDFWQJXNUYPV-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CCC1 ZINC001105541562 1366520137 /nfs/dbraw/zinc/52/01/37/1366520137.db2.gz DOSQCVRBYATINO-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[C@H]2CCC[N@H+]2C)CCC1 ZINC001105544321 1366521151 /nfs/dbraw/zinc/52/11/51/1366521151.db2.gz HGWXRODNHQBGMH-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105562141 1366531830 /nfs/dbraw/zinc/53/18/30/1366531830.db2.gz XGHWWXSWURDZLL-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106111713 1366612441 /nfs/dbraw/zinc/61/24/41/1366612441.db2.gz PYCCWRXHMGZWTO-FBYXPACISA-N 2 1 349.563 3.290 20 0 EGADMP CCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001106479730 1366707812 /nfs/dbraw/zinc/70/78/12/1366707812.db2.gz OMSYCGZLDBRCRM-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106673376 1366770526 /nfs/dbraw/zinc/77/05/26/1366770526.db2.gz XAPYDJDPKOUBIA-RKQNLGICSA-N 2 1 337.552 3.005 20 0 EGADMP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106727689 1366782053 /nfs/dbraw/zinc/78/20/53/1366782053.db2.gz QIDTUDSBMBHKSO-QZTJIDSGSA-N 2 1 346.519 3.047 20 0 EGADMP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001106860141 1366818308 /nfs/dbraw/zinc/81/83/08/1366818308.db2.gz KYXFMXWQFPGYPL-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CC2)[C@H](C)C1 ZINC001106860381 1366818501 /nfs/dbraw/zinc/81/85/01/1366818501.db2.gz WZTQQPRZWXRRRF-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2cccc(C)c2)[C@H](C)C1 ZINC001106910709 1366830428 /nfs/dbraw/zinc/83/04/28/1366830428.db2.gz KZBHYNJXXWJDOS-QWFCFKBJSA-N 2 1 345.531 3.082 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107040498 1366863863 /nfs/dbraw/zinc/86/38/63/1366863863.db2.gz GZNYIVXYEJYINO-CEXWTWQISA-N 2 1 345.531 3.080 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C)c1ccccc1 ZINC001107042676 1366863932 /nfs/dbraw/zinc/86/39/32/1366863932.db2.gz XSKKDILTUDLYJL-MISYRCLQSA-N 2 1 345.531 3.162 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328995 1366930212 /nfs/dbraw/zinc/93/02/12/1366930212.db2.gz DTBXDMLFAGSGRQ-SKCPSPIOSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107328995 1366930217 /nfs/dbraw/zinc/93/02/17/1366930217.db2.gz DTBXDMLFAGSGRQ-SKCPSPIOSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107328995 1366930221 /nfs/dbraw/zinc/93/02/21/1366930221.db2.gz DTBXDMLFAGSGRQ-SKCPSPIOSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107484996 1366986796 /nfs/dbraw/zinc/98/67/96/1366986796.db2.gz DKVAJHMXDJFXNR-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC1CCC1)CC2 ZINC001107524308 1367017546 /nfs/dbraw/zinc/01/75/46/1367017546.db2.gz RYQSZMNQQQBIPY-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107529781 1367023398 /nfs/dbraw/zinc/02/33/98/1367023398.db2.gz CTHZFFFZZNBLIO-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107554031 1367040087 /nfs/dbraw/zinc/04/00/87/1367040087.db2.gz VMNWGXGJQBIVHI-RHGXJLFNSA-N 2 1 335.536 3.044 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107554855 1367041054 /nfs/dbraw/zinc/04/10/54/1367041054.db2.gz NCBDRQXOIVZHNI-NLWGTHIKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCCC1)CC2 ZINC001107582427 1367056778 /nfs/dbraw/zinc/05/67/78/1367056778.db2.gz DGIQDCZEBJDPEH-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646713 1367091308 /nfs/dbraw/zinc/09/13/08/1367091308.db2.gz RQMNPGSEJFMFDX-UYAOXDASSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646713 1367091311 /nfs/dbraw/zinc/09/13/11/1367091311.db2.gz RQMNPGSEJFMFDX-UYAOXDASSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646713 1367091317 /nfs/dbraw/zinc/09/13/17/1367091317.db2.gz RQMNPGSEJFMFDX-UYAOXDASSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC1 ZINC001109471652 1367144366 /nfs/dbraw/zinc/14/43/66/1367144366.db2.gz DYIIXBWZVFSAAU-QYZOEREBSA-N 2 1 347.547 3.161 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1 ZINC001109471652 1367144370 /nfs/dbraw/zinc/14/43/70/1367144370.db2.gz DYIIXBWZVFSAAU-QYZOEREBSA-N 2 1 347.547 3.161 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001109471652 1367144376 /nfs/dbraw/zinc/14/43/76/1367144376.db2.gz DYIIXBWZVFSAAU-QYZOEREBSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190175395 1367191863 /nfs/dbraw/zinc/19/18/63/1367191863.db2.gz JTZCFWZSRUKGIR-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212565 1367200511 /nfs/dbraw/zinc/20/05/11/1367200511.db2.gz FSOZMEGHSMEFHL-VQTJNVASSA-N 2 1 349.563 3.366 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001109643632 1367260285 /nfs/dbraw/zinc/26/02/85/1367260285.db2.gz SCHVTNBJYOUOSE-NECFDHOKSA-N 2 1 347.547 3.185 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001109643632 1367260290 /nfs/dbraw/zinc/26/02/90/1367260290.db2.gz SCHVTNBJYOUOSE-NECFDHOKSA-N 2 1 347.547 3.185 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001109643632 1367260295 /nfs/dbraw/zinc/26/02/95/1367260295.db2.gz SCHVTNBJYOUOSE-NECFDHOKSA-N 2 1 347.547 3.185 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480581 1367273466 /nfs/dbraw/zinc/27/34/66/1367273466.db2.gz DKOOESUSFHPYPL-YIYNPQHWSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672568 1367275052 /nfs/dbraw/zinc/27/50/52/1367275052.db2.gz KRRIGVNNPZDBIL-NBMRYCAZSA-N 2 1 349.906 3.074 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109721475 1367292640 /nfs/dbraw/zinc/29/26/40/1367292640.db2.gz GJGSPLBGQGRXQR-SQNIBIBYSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001109721475 1367292648 /nfs/dbraw/zinc/29/26/48/1367292648.db2.gz GJGSPLBGQGRXQR-SQNIBIBYSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001109721475 1367292650 /nfs/dbraw/zinc/29/26/50/1367292650.db2.gz GJGSPLBGQGRXQR-SQNIBIBYSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190655154 1367318586 /nfs/dbraw/zinc/31/85/86/1367318586.db2.gz OATPXGRFPTYURY-RTBURBONSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190655154 1367318591 /nfs/dbraw/zinc/31/85/91/1367318591.db2.gz OATPXGRFPTYURY-RTBURBONSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190655154 1367318599 /nfs/dbraw/zinc/31/85/99/1367318599.db2.gz OATPXGRFPTYURY-RTBURBONSA-N 2 1 337.552 3.362 20 0 EGADMP CCc1cccc(C[NH+](C)[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)CC)C2)c1 ZINC001191019600 1367404237 /nfs/dbraw/zinc/40/42/37/1367404237.db2.gz NUVORXUCNHJTFQ-LJQANCHMSA-N 2 1 345.531 3.012 20 0 EGADMP CCc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C2)c1 ZINC001191019600 1367404239 /nfs/dbraw/zinc/40/42/39/1367404239.db2.gz NUVORXUCNHJTFQ-LJQANCHMSA-N 2 1 345.531 3.012 20 0 EGADMP CCc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C2)c1 ZINC001191019600 1367404244 /nfs/dbraw/zinc/40/42/44/1367404244.db2.gz NUVORXUCNHJTFQ-LJQANCHMSA-N 2 1 345.531 3.012 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001191029912 1367406112 /nfs/dbraw/zinc/40/61/12/1367406112.db2.gz PCYCMKSVVRHLRS-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001191029912 1367406116 /nfs/dbraw/zinc/40/61/16/1367406116.db2.gz PCYCMKSVVRHLRS-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001191029912 1367406119 /nfs/dbraw/zinc/40/61/19/1367406119.db2.gz PCYCMKSVVRHLRS-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)(C)CC1 ZINC001109932547 1367410603 /nfs/dbraw/zinc/41/06/03/1367410603.db2.gz MAABLFOAWSPFJX-QYZOEREBSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC(C)(C)CC1 ZINC001109932547 1367410607 /nfs/dbraw/zinc/41/06/07/1367410607.db2.gz MAABLFOAWSPFJX-QYZOEREBSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC(C)(C)CC1 ZINC001109932547 1367410613 /nfs/dbraw/zinc/41/06/13/1367410613.db2.gz MAABLFOAWSPFJX-QYZOEREBSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001191515664 1367519779 /nfs/dbraw/zinc/51/97/79/1367519779.db2.gz TYQMRBJPBTUIFL-LJQANCHMSA-N 2 1 345.531 3.127 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CC[C@@H]([N@@H+](C)CC3CCCC3)C2)CCCCC1 ZINC001191542861 1367525526 /nfs/dbraw/zinc/52/55/26/1367525526.db2.gz JGEQZBMNWIITOT-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148101 1367525981 /nfs/dbraw/zinc/52/59/81/1367525981.db2.gz ISYBUCGRJFFJCA-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153988 1367527433 /nfs/dbraw/zinc/52/74/33/1367527433.db2.gz WEZFEFLXKSBMGK-ZRNYENFQSA-N 2 1 349.563 3.266 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110159603 1367531943 /nfs/dbraw/zinc/53/19/43/1367531943.db2.gz SODAOIOUDSKFMJ-JYBIWHBTSA-N 2 1 343.515 3.118 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159603 1367531949 /nfs/dbraw/zinc/53/19/49/1367531949.db2.gz SODAOIOUDSKFMJ-JYBIWHBTSA-N 2 1 343.515 3.118 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159603 1367531956 /nfs/dbraw/zinc/53/19/56/1367531956.db2.gz SODAOIOUDSKFMJ-JYBIWHBTSA-N 2 1 343.515 3.118 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161837 1367534678 /nfs/dbraw/zinc/53/46/78/1367534678.db2.gz VAQTWMOHZCSMGV-YDZRNGNQSA-N 2 1 335.536 3.019 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001108704884 1367544583 /nfs/dbraw/zinc/54/45/83/1367544583.db2.gz UCUAWZIVLDWILO-GEHBYACWSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001108764082 1367580168 /nfs/dbraw/zinc/58/01/68/1367580168.db2.gz DHDPHGFPXQPKAG-BKFNIVOESA-N 2 1 349.563 3.290 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH+](C)CCCC(C)C)C2)C1 ZINC001191921415 1367639669 /nfs/dbraw/zinc/63/96/69/1367639669.db2.gz CKHCYZIEYCEDBG-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]([N@H+](C)CCCC(C)C)C2)C1 ZINC001191921415 1367639671 /nfs/dbraw/zinc/63/96/71/1367639671.db2.gz CKHCYZIEYCEDBG-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCCC(C)C)C2)C1 ZINC001191921415 1367639675 /nfs/dbraw/zinc/63/96/75/1367639675.db2.gz CKHCYZIEYCEDBG-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCCc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001192047049 1367674407 /nfs/dbraw/zinc/67/44/07/1367674407.db2.gz QPDUZRBMLXUUGI-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110550407 1367826790 /nfs/dbraw/zinc/82/67/90/1367826790.db2.gz OZYRVYPNMSWUOD-YRXWBPOGSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110550407 1367826796 /nfs/dbraw/zinc/82/67/96/1367826796.db2.gz OZYRVYPNMSWUOD-YRXWBPOGSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001110550407 1367826799 /nfs/dbraw/zinc/82/67/99/1367826799.db2.gz OZYRVYPNMSWUOD-YRXWBPOGSA-N 2 1 335.536 3.017 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110566978 1367837635 /nfs/dbraw/zinc/83/76/35/1367837635.db2.gz SNLSKOREEWAAFI-KURKYZTESA-N 2 1 335.536 3.163 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C1)C(C)C ZINC001192923933 1367905854 /nfs/dbraw/zinc/90/58/54/1367905854.db2.gz QKTFWVHNCNTUGT-WOJBJXKFSA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857976 1368037963 /nfs/dbraw/zinc/03/79/63/1368037963.db2.gz ZDXVKYHDTICRFG-QRVBRYPASA-N 2 1 347.547 3.186 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001193610127 1368073845 /nfs/dbraw/zinc/07/38/45/1368073845.db2.gz LSSGSQULNWFONF-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001193610127 1368073849 /nfs/dbraw/zinc/07/38/49/1368073849.db2.gz LSSGSQULNWFONF-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001193610127 1368073855 /nfs/dbraw/zinc/07/38/55/1368073855.db2.gz LSSGSQULNWFONF-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110962013 1368126604 /nfs/dbraw/zinc/12/66/04/1368126604.db2.gz KBBCCURYQJTDOF-ZRNYENFQSA-N 2 1 343.515 3.201 20 0 EGADMP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001111077993 1368153868 /nfs/dbraw/zinc/15/38/68/1368153868.db2.gz FKULQGFYIDYTSC-UVOQLLHRSA-N 2 1 344.503 3.084 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001111077993 1368153869 /nfs/dbraw/zinc/15/38/69/1368153869.db2.gz FKULQGFYIDYTSC-UVOQLLHRSA-N 2 1 344.503 3.084 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081458 1368178965 /nfs/dbraw/zinc/17/89/65/1368178965.db2.gz PMPDXHHSXQVVPT-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC1CCC(C[N@@H+](C)[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001194229625 1368213236 /nfs/dbraw/zinc/21/32/36/1368213236.db2.gz ZABLXLLTZJKGFY-SOAGJPPSSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274453 1368221926 /nfs/dbraw/zinc/22/19/26/1368221926.db2.gz IAYRJHYAUOGICL-HEVSSNLLSA-N 2 1 343.515 3.178 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274453 1368221930 /nfs/dbraw/zinc/22/19/30/1368221930.db2.gz IAYRJHYAUOGICL-HEVSSNLLSA-N 2 1 343.515 3.178 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293566 1368225395 /nfs/dbraw/zinc/22/53/95/1368225395.db2.gz IBXMGYBGUYWFCJ-MOPGFXCFSA-N 2 1 349.494 3.150 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194293566 1368225401 /nfs/dbraw/zinc/22/54/01/1368225401.db2.gz IBXMGYBGUYWFCJ-MOPGFXCFSA-N 2 1 349.494 3.150 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194293566 1368225403 /nfs/dbraw/zinc/22/54/03/1368225403.db2.gz IBXMGYBGUYWFCJ-MOPGFXCFSA-N 2 1 349.494 3.150 20 0 EGADMP C[N@@H+](CC1CCCCC1)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429101 1368259464 /nfs/dbraw/zinc/25/94/64/1368259464.db2.gz FGGHZXZTSINNPJ-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429850 1368259647 /nfs/dbraw/zinc/25/96/47/1368259647.db2.gz NZCJDBANDXNITJ-LJQANCHMSA-N 2 1 337.552 3.366 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454135 1368310204 /nfs/dbraw/zinc/31/02/04/1368310204.db2.gz MUSOBRRJWVDMAZ-GESBFJBKSA-N 2 1 347.547 3.330 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001111457652 1368310613 /nfs/dbraw/zinc/31/06/13/1368310613.db2.gz IFWQFKOAXOUQIG-AQNXPRMDSA-N 2 1 347.547 3.164 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001111891187 1368536474 /nfs/dbraw/zinc/53/64/74/1368536474.db2.gz IOOLZSYAUIWHCA-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001196060509 1368542239 /nfs/dbraw/zinc/54/22/39/1368542239.db2.gz YMCGQJGJLHDILI-OVKVCFKUSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001196060509 1368542241 /nfs/dbraw/zinc/54/22/41/1368542241.db2.gz YMCGQJGJLHDILI-OVKVCFKUSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001196060509 1368542244 /nfs/dbraw/zinc/54/22/44/1368542244.db2.gz YMCGQJGJLHDILI-OVKVCFKUSA-N 2 1 335.536 3.142 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCC(C)CC1)C2 ZINC001111926658 1368563842 /nfs/dbraw/zinc/56/38/42/1368563842.db2.gz BIWPPKIGWJDNNV-XSNSTOHYSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCC(C)CC1)C2 ZINC001111926658 1368563846 /nfs/dbraw/zinc/56/38/46/1368563846.db2.gz BIWPPKIGWJDNNV-XSNSTOHYSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCC(C)CC1)C2 ZINC001111926658 1368563851 /nfs/dbraw/zinc/56/38/51/1368563851.db2.gz BIWPPKIGWJDNNV-XSNSTOHYSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC1CCCC1)C2 ZINC001111927047 1368564167 /nfs/dbraw/zinc/56/41/67/1368564167.db2.gz WEWCNOKQORJMCD-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC1CCCC1)C2 ZINC001111927047 1368564171 /nfs/dbraw/zinc/56/41/71/1368564171.db2.gz WEWCNOKQORJMCD-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC1CCCC1)C2 ZINC001111927047 1368564173 /nfs/dbraw/zinc/56/41/73/1368564173.db2.gz WEWCNOKQORJMCD-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[C@H](C(=O)N1CCC[N@@H+](CCC(C)(C)C)CC1)n1ccnc1 ZINC001196242912 1368574190 /nfs/dbraw/zinc/57/41/90/1368574190.db2.gz PIDXDAMPESKMFW-GOSISDBHSA-N 2 1 348.535 3.441 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)[C@H](CC(C)C)n2ccnc2)CC1 ZINC001196242405 1368574605 /nfs/dbraw/zinc/57/46/05/1368574605.db2.gz HAWRNFYVUGVBBT-IBGZPJMESA-N 2 1 348.535 3.441 20 0 EGADMP C[C@H]1CCC[C@H](CC[N@H+]2CCCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001196943817 1368717868 /nfs/dbraw/zinc/71/78/68/1368717868.db2.gz SVQDQQNLUYGOLP-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001197181198 1368760834 /nfs/dbraw/zinc/76/08/34/1368760834.db2.gz TVIHYQINITVHFK-CMDGGOBGSA-N 2 1 337.552 3.245 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001197181198 1368760835 /nfs/dbraw/zinc/76/08/35/1368760835.db2.gz TVIHYQINITVHFK-CMDGGOBGSA-N 2 1 337.552 3.245 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001197181198 1368760840 /nfs/dbraw/zinc/76/08/40/1368760840.db2.gz TVIHYQINITVHFK-CMDGGOBGSA-N 2 1 337.552 3.245 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[NH+](CC2CC3(CCC3)C2)CC1)CC(C)(C)C ZINC001197187781 1368761973 /nfs/dbraw/zinc/76/19/73/1368761973.db2.gz MERJILRADJZRKB-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC(=O)N1CCC[N@H+](CC2CC3(CCC3)C2)CC1)CC(C)(C)C ZINC001197187781 1368761979 /nfs/dbraw/zinc/76/19/79/1368761979.db2.gz MERJILRADJZRKB-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC(=O)N1CCC[N@@H+](CC2CC3(CCC3)C2)CC1)CC(C)(C)C ZINC001197187781 1368761985 /nfs/dbraw/zinc/76/19/85/1368761985.db2.gz MERJILRADJZRKB-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001197448237 1368816609 /nfs/dbraw/zinc/81/66/09/1368816609.db2.gz RUDFKIGOERPMGS-WAYWQWQTSA-N 2 1 343.515 3.252 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[NH+](C[C@@H](C)CC)CC1 ZINC001197478578 1368823311 /nfs/dbraw/zinc/82/33/11/1368823311.db2.gz YRTXIFVSGRIWFB-SFHVURJKSA-N 2 1 325.541 3.079 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@H+](C[C@@H](C)CC)CC1 ZINC001197478578 1368823315 /nfs/dbraw/zinc/82/33/15/1368823315.db2.gz YRTXIFVSGRIWFB-SFHVURJKSA-N 2 1 325.541 3.079 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@@H+](C[C@@H](C)CC)CC1 ZINC001197478578 1368823320 /nfs/dbraw/zinc/82/33/20/1368823320.db2.gz YRTXIFVSGRIWFB-SFHVURJKSA-N 2 1 325.541 3.079 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC[N@@H+](Cc2ccccc2C(C)C)CC1 ZINC001197512241 1368829607 /nfs/dbraw/zinc/82/96/07/1368829607.db2.gz ZNFUBRQKNJDMLW-UHFFFAOYSA-N 2 1 345.531 3.186 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCCN(C(=O)C[NH+](CC)CC)CC1 ZINC001197510441 1368830358 /nfs/dbraw/zinc/83/03/58/1368830358.db2.gz BGGKNWUZEBUACE-IBGZPJMESA-N 2 1 349.494 3.153 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](CCC(C)C)CC1 ZINC001197794888 1368899431 /nfs/dbraw/zinc/89/94/31/1368899431.db2.gz OCHYKLVMVHATSI-UHFFFAOYSA-N 2 1 339.568 3.469 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)(C)C)C1 ZINC001112529650 1368916125 /nfs/dbraw/zinc/91/61/25/1368916125.db2.gz JCLAHJQFNMQIPM-WFXMLNOXSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197871696 1368917142 /nfs/dbraw/zinc/91/71/42/1368917142.db2.gz XCQWSBHBFWUWAY-SFHVURJKSA-N 2 1 331.504 3.014 20 0 EGADMP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001112538752 1368919653 /nfs/dbraw/zinc/91/96/53/1368919653.db2.gz UHAVEYYKWXQYRO-PXNSSMCTSA-N 2 1 346.519 3.025 20 0 EGADMP CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001112540219 1368920752 /nfs/dbraw/zinc/92/07/52/1368920752.db2.gz LQGDJGFLIMBAIM-ZVDOUQERSA-N 2 1 349.563 3.124 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC2)C1 ZINC001112547558 1368922587 /nfs/dbraw/zinc/92/25/87/1368922587.db2.gz ZIGMHOUDVPIOHK-FPOVZHCZSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)CCC[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198258755 1368991841 /nfs/dbraw/zinc/99/18/41/1368991841.db2.gz CHSIGTQGVHNAEL-HXUWFJFHSA-N 2 1 345.531 3.260 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198258755 1368991843 /nfs/dbraw/zinc/99/18/43/1368991843.db2.gz CHSIGTQGVHNAEL-HXUWFJFHSA-N 2 1 345.531 3.260 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198259879 1368992019 /nfs/dbraw/zinc/99/20/19/1368992019.db2.gz SMXGRKVTYGEODR-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001198259468 1368992425 /nfs/dbraw/zinc/99/24/25/1368992425.db2.gz MCTOWILEHUEIBI-LIXSYLKWSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001198259468 1368992429 /nfs/dbraw/zinc/99/24/29/1368992429.db2.gz MCTOWILEHUEIBI-LIXSYLKWSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001198259468 1368992432 /nfs/dbraw/zinc/99/24/32/1368992432.db2.gz MCTOWILEHUEIBI-LIXSYLKWSA-N 2 1 335.536 3.142 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+](C(C)C)CC2)CC1 ZINC001186605205 1387983572 /nfs/dbraw/zinc/98/35/72/1387983572.db2.gz LMGIBSRYIOVLRE-SFHVURJKSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001186605205 1387983582 /nfs/dbraw/zinc/98/35/82/1387983582.db2.gz LMGIBSRYIOVLRE-SFHVURJKSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC001186605205 1387983588 /nfs/dbraw/zinc/98/35/88/1387983588.db2.gz LMGIBSRYIOVLRE-SFHVURJKSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001186598061 1387981811 /nfs/dbraw/zinc/98/18/11/1387981811.db2.gz NXGFNHGBUYKBHI-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP FC(F)Oc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001200376773 1369357153 /nfs/dbraw/zinc/35/71/53/1369357153.db2.gz FKWGOAUVJCGXCC-QGZVFWFLSA-N 2 1 340.414 3.021 20 0 EGADMP CC[C@H](C(=O)N1CC[NH+]([C@H](CC)c2ccccc2)CC1)[NH+](CC)CC ZINC001113341459 1369359064 /nfs/dbraw/zinc/35/90/64/1369359064.db2.gz XUWVPSXMLQZSHD-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001200577996 1369393758 /nfs/dbraw/zinc/39/37/58/1369393758.db2.gz JNELMWDLDRIYNJ-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001113439791 1369429992 /nfs/dbraw/zinc/42/99/92/1369429992.db2.gz VETYSGWNKOQJHU-LJQANCHMSA-N 2 1 339.568 3.325 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053332 1369473053 /nfs/dbraw/zinc/47/30/53/1369473053.db2.gz OMQPFVHXSUWGCB-WRFKIARRSA-N 2 1 344.503 3.088 20 0 EGADMP CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001113519949 1369474481 /nfs/dbraw/zinc/47/44/81/1369474481.db2.gz FMQHIZGHOPMVJN-IBGZPJMESA-N 2 1 337.552 3.366 20 0 EGADMP CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001113519949 1369474483 /nfs/dbraw/zinc/47/44/83/1369474483.db2.gz FMQHIZGHOPMVJN-IBGZPJMESA-N 2 1 337.552 3.366 20 0 EGADMP O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201230532 1369499801 /nfs/dbraw/zinc/49/98/01/1369499801.db2.gz UBPJLKKGPJFONK-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001201321732 1369518736 /nfs/dbraw/zinc/51/87/36/1369518736.db2.gz VFFZBJDGWGBGFX-KRWDZBQOSA-N 2 1 345.531 3.367 20 0 EGADMP CCc1ccc(C[NH2+]C2CCN(C(=O)C(C)(C)[N@H+](C)CC)CC2)cc1 ZINC001201328044 1369521676 /nfs/dbraw/zinc/52/16/76/1369521676.db2.gz UVHIPTZSAKIZSV-UHFFFAOYSA-N 2 1 345.531 3.060 20 0 EGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CC(C)(C)C)CC2 ZINC001201434866 1369544769 /nfs/dbraw/zinc/54/47/69/1369544769.db2.gz LRAUHSAGFRDPNE-IBGZPJMESA-N 2 1 345.531 3.431 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001201527929 1369566429 /nfs/dbraw/zinc/56/64/29/1369566429.db2.gz FKBQWULTSPRNKM-WOJBJXKFSA-N 2 1 331.504 3.041 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001201527929 1369566433 /nfs/dbraw/zinc/56/64/33/1369566433.db2.gz FKBQWULTSPRNKM-WOJBJXKFSA-N 2 1 331.504 3.041 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001201527929 1369566437 /nfs/dbraw/zinc/56/64/37/1369566437.db2.gz FKBQWULTSPRNKM-WOJBJXKFSA-N 2 1 331.504 3.041 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001201620974 1369592309 /nfs/dbraw/zinc/59/23/09/1369592309.db2.gz VHHZCPAYMYYCOE-AABGKKOBSA-N 2 1 330.520 3.104 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001201620974 1369592310 /nfs/dbraw/zinc/59/23/10/1369592310.db2.gz VHHZCPAYMYYCOE-AABGKKOBSA-N 2 1 330.520 3.104 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001201620974 1369592313 /nfs/dbraw/zinc/59/23/13/1369592313.db2.gz VHHZCPAYMYYCOE-AABGKKOBSA-N 2 1 330.520 3.104 20 0 EGADMP CC1CC(C[NH2+]C2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)CC2)C1 ZINC001201817866 1369628473 /nfs/dbraw/zinc/62/84/73/1369628473.db2.gz FRZYXPMIXMPASU-UHFFFAOYSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@@H+](CC(=O)N1CCC([NH2+]CCCC2CCC2)CC1)CC(C)(C)C ZINC001202540084 1369802399 /nfs/dbraw/zinc/80/23/99/1369802399.db2.gz TYAPYEHCPZDLIL-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](CC1CCC1)C2 ZINC001202731824 1369870690 /nfs/dbraw/zinc/87/06/90/1369870690.db2.gz BYIJUVARIFMQQP-UHFFFAOYSA-N 2 1 325.456 3.465 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](CC1CCC1)C2 ZINC001202731824 1369870697 /nfs/dbraw/zinc/87/06/97/1369870697.db2.gz BYIJUVARIFMQQP-UHFFFAOYSA-N 2 1 325.456 3.465 20 0 EGADMP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](CC1CCC1)C2 ZINC001202731824 1369870702 /nfs/dbraw/zinc/87/07/02/1369870702.db2.gz BYIJUVARIFMQQP-UHFFFAOYSA-N 2 1 325.456 3.465 20 0 EGADMP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](CC1CCC1)C2 ZINC001202731824 1369870710 /nfs/dbraw/zinc/87/07/10/1369870710.db2.gz BYIJUVARIFMQQP-UHFFFAOYSA-N 2 1 325.456 3.465 20 0 EGADMP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001202764499 1369883414 /nfs/dbraw/zinc/88/34/14/1369883414.db2.gz NZKVVZCIHBKCFE-UEKDZROGSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001202863793 1369910615 /nfs/dbraw/zinc/91/06/15/1369910615.db2.gz NAPVMCGNUVDVSD-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001186975368 1388033793 /nfs/dbraw/zinc/03/37/93/1388033793.db2.gz MTEJDSCWXSPURE-RTBURBONSA-N 2 1 337.552 3.412 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203103248 1369983781 /nfs/dbraw/zinc/98/37/81/1369983781.db2.gz KOKOAPFAIFSXLU-QZTJIDSGSA-N 2 1 349.563 3.314 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203167210 1370007404 /nfs/dbraw/zinc/00/74/04/1370007404.db2.gz DNYYLISKPRDAKQ-DLBZAZTESA-N 2 1 346.519 3.035 20 0 EGADMP CCc1nc(C)c(C[N@H+]2CCc3ncnc(-c4ccccc4)c3CC2)[nH]1 ZINC001203240871 1370036174 /nfs/dbraw/zinc/03/61/74/1370036174.db2.gz LLHVGVCRDCOIEC-UHFFFAOYSA-N 2 1 347.466 3.338 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](C)CC)CC1 ZINC001203283654 1370061672 /nfs/dbraw/zinc/06/16/72/1370061672.db2.gz UWPDQRWEZIXVGI-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC([NH2+]CCC(C)C)CC1)c1ccccc1 ZINC001203313146 1370078045 /nfs/dbraw/zinc/07/80/45/1370078045.db2.gz MHDSWKSWIWMPDF-HXUWFJFHSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2c(n1)CCC2 ZINC001203357130 1370096562 /nfs/dbraw/zinc/09/65/62/1370096562.db2.gz HAKKAMQVCAYIGV-YLJYHZDGSA-N 2 1 335.495 3.428 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2c(n1)CCC2 ZINC001203357130 1370096566 /nfs/dbraw/zinc/09/65/66/1370096566.db2.gz HAKKAMQVCAYIGV-YLJYHZDGSA-N 2 1 335.495 3.428 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203629931 1370192835 /nfs/dbraw/zinc/19/28/35/1370192835.db2.gz DVXBYMNWVIGYJG-MOPGFXCFSA-N 2 1 347.547 3.236 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203632786 1370194607 /nfs/dbraw/zinc/19/46/07/1370194607.db2.gz VGUJYPFTBVQBJJ-ZSQQTYLHSA-N 2 1 349.563 3.482 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC(C)C)C12CCC2 ZINC001203641217 1370198013 /nfs/dbraw/zinc/19/80/13/1370198013.db2.gz PMVUQKYQQZNMCO-QZTJIDSGSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203652546 1370202304 /nfs/dbraw/zinc/20/23/04/1370202304.db2.gz VMPOCZCWJQYDTD-OALUTQOASA-N 2 1 347.547 3.236 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203791218 1370266102 /nfs/dbraw/zinc/26/61/02/1370266102.db2.gz FKEWSDCGQGYGRB-RTBURBONSA-N 2 1 347.547 3.234 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001115111446 1370286064 /nfs/dbraw/zinc/28/60/64/1370286064.db2.gz QDVVFCGXHVDZHD-FJMMXEOOSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001115306200 1370370837 /nfs/dbraw/zinc/37/08/37/1370370837.db2.gz KELPJYSGFJYQLE-NMLBUPMWSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@@H+](CCO)Cc2cccs2)cc1 ZINC001204269018 1370428238 /nfs/dbraw/zinc/42/82/38/1370428238.db2.gz SUOMYVCVXSACDB-UHFFFAOYSA-N 2 1 348.512 3.073 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2=CCCCC2)CCCCC1 ZINC001115450567 1370458353 /nfs/dbraw/zinc/45/83/53/1370458353.db2.gz FZUPNKOHCRSWMD-LJQANCHMSA-N 2 1 347.547 3.380 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CCCCC1 ZINC001115450648 1370459238 /nfs/dbraw/zinc/45/92/38/1370459238.db2.gz IWSZJFVGZDPOST-QGZVFWFLSA-N 2 1 337.552 3.316 20 0 EGADMP Cc1c(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)cnn1C ZINC001204569272 1370518270 /nfs/dbraw/zinc/51/82/70/1370518270.db2.gz PCKXKBYGAXGVAI-IBGZPJMESA-N 2 1 342.487 3.198 20 0 EGADMP Clc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1-n1ccnc1 ZINC001204742653 1370561667 /nfs/dbraw/zinc/56/16/67/1370561667.db2.gz PTUSLBPHXMABRL-UHFFFAOYSA-N 2 1 344.890 3.491 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](F)CC)CCCCC1 ZINC001115563420 1370563269 /nfs/dbraw/zinc/56/32/69/1370563269.db2.gz UDZKJOQUPHOWSH-SJORKVTESA-N 2 1 341.515 3.018 20 0 EGADMP COc1ccc(Oc2cccc(C[N@@H+]3CCO[C@H](CC[NH3+])C3)c2)cc1 ZINC001204755270 1370567633 /nfs/dbraw/zinc/56/76/33/1370567633.db2.gz FDQIQUXMPXWERM-HXUWFJFHSA-N 2 1 342.439 3.037 20 0 EGADMP COc1ccc(Oc2cccc(C[N@H+]3CCO[C@H](CC[NH3+])C3)c2)cc1 ZINC001204755270 1370567637 /nfs/dbraw/zinc/56/76/37/1370567637.db2.gz FDQIQUXMPXWERM-HXUWFJFHSA-N 2 1 342.439 3.037 20 0 EGADMP Cn1c2ccccc2c(C[N@H+]2CCO[C@@H](CC[NH3+])C2)c1-c1ccccc1 ZINC001204756953 1370569054 /nfs/dbraw/zinc/56/90/54/1370569054.db2.gz UTUJSOZBMSROMZ-SFHVURJKSA-N 2 1 349.478 3.395 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115596592 1370597184 /nfs/dbraw/zinc/59/71/84/1370597184.db2.gz NTVUPBHXLJXUGM-SFHVURJKSA-N 2 1 335.536 3.070 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115630497 1370624055 /nfs/dbraw/zinc/62/40/55/1370624055.db2.gz PQRUECCKTGFOIX-UHFFFAOYSA-N 2 1 344.503 3.101 20 0 EGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3cc(Br)cnc3c2)CC1 ZINC001205116489 1370654821 /nfs/dbraw/zinc/65/48/21/1370654821.db2.gz AGWSPLSBWZKYPL-HNNXBMFYSA-N 2 1 334.261 3.311 20 0 EGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3cc(Br)cnc32)CC1 ZINC001205124552 1370657699 /nfs/dbraw/zinc/65/76/99/1370657699.db2.gz VDXVETMHXXJRLJ-HNNXBMFYSA-N 2 1 334.261 3.311 20 0 EGADMP CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCCCC1 ZINC001115689351 1370671643 /nfs/dbraw/zinc/67/16/43/1370671643.db2.gz DDWAFIREQXTQQK-SFHVURJKSA-N 2 1 335.536 3.212 20 0 EGADMP CCc1cccc2cc(C[N@H+]3CCC[C@@](O)(C[NH3+])CC3)c(Cl)nc21 ZINC001205221389 1370686198 /nfs/dbraw/zinc/68/61/98/1370686198.db2.gz TZNRBJBJTZHQJK-IBGZPJMESA-N 2 1 347.890 3.126 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)ccc1Oc1ccccc1 ZINC001205249003 1370695752 /nfs/dbraw/zinc/69/57/52/1370695752.db2.gz VGGXWUSDIBZTBO-NRFANRHFSA-N 2 1 340.467 3.463 20 0 EGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2[nH]nc3cc(Br)ccc32)CC1 ZINC001205280713 1370704744 /nfs/dbraw/zinc/70/47/44/1370704744.db2.gz GYSQHSFTVKOPOU-HNNXBMFYSA-N 2 1 337.265 3.029 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115729480 1370711307 /nfs/dbraw/zinc/71/13/07/1370711307.db2.gz HZXKKVKAXOHIOZ-GOSISDBHSA-N 2 1 349.563 3.460 20 0 EGADMP CC1CC(C[NH2+]C2(CNC(=O)C[N@H+]3CCC(C)(C)C3)CCCCC2)C1 ZINC001115730232 1370712935 /nfs/dbraw/zinc/71/29/35/1370712935.db2.gz GMYPSROQXPBXCY-UHFFFAOYSA-N 2 1 349.563 3.173 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC001205304303 1370713903 /nfs/dbraw/zinc/71/39/03/1370713903.db2.gz NPKILMIRNHIARH-APWZRJJASA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC001205304303 1370713907 /nfs/dbraw/zinc/71/39/07/1370713907.db2.gz NPKILMIRNHIARH-APWZRJJASA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CCC3CCCCC3)CC2)CC[N@H+]1C ZINC001205335381 1370725112 /nfs/dbraw/zinc/72/51/12/1370725112.db2.gz YOQXGRXGJAGHPP-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001205420279 1370748975 /nfs/dbraw/zinc/74/89/75/1370748975.db2.gz NFMZXBZAXHPIGN-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(Br)ccc2F)CC1 ZINC001205545788 1370786831 /nfs/dbraw/zinc/78/68/31/1370786831.db2.gz NDNMKNXABDJNHO-AWEZNQCLSA-N 2 1 333.220 3.241 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(Br)ccc2F)CC1 ZINC001205545788 1370786840 /nfs/dbraw/zinc/78/68/40/1370786840.db2.gz NDNMKNXABDJNHO-AWEZNQCLSA-N 2 1 333.220 3.241 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001205548901 1370787759 /nfs/dbraw/zinc/78/77/59/1370787759.db2.gz MUTQXKXUEGCKTR-QGZVFWFLSA-N 2 1 345.531 3.306 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc(F)c2Br)CC1 ZINC001205558229 1370790911 /nfs/dbraw/zinc/79/09/11/1370790911.db2.gz CXIGJEHLFQNVNX-CQSZACIVSA-N 2 1 333.220 3.241 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(F)c(Br)c2)CC1 ZINC001205558205 1370791308 /nfs/dbraw/zinc/79/13/08/1370791308.db2.gz CUCQANYVJSUCIH-AWEZNQCLSA-N 2 1 333.220 3.241 20 0 EGADMP COc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205570523 1370795227 /nfs/dbraw/zinc/79/52/27/1370795227.db2.gz KXSMMOHPQSUJOO-OAHLLOKOSA-N 2 1 334.357 3.367 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccnc2OCc2ccccc2)CC1 ZINC001205591401 1370803044 /nfs/dbraw/zinc/80/30/44/1370803044.db2.gz LYUYGPXVXCHWGN-HXUWFJFHSA-N 2 1 343.446 3.314 20 0 EGADMP COc1cc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c(F)c(F)c1Cl ZINC001205592002 1370803697 /nfs/dbraw/zinc/80/36/97/1370803697.db2.gz PUGYZXOSQSSCQP-HNNXBMFYSA-N 2 1 336.785 3.280 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(F)c(F)c1Cl ZINC001205592002 1370803702 /nfs/dbraw/zinc/80/37/02/1370803702.db2.gz PUGYZXOSQSSCQP-HNNXBMFYSA-N 2 1 336.785 3.280 20 0 EGADMP C[C@H]1CC[N@@H+](CCc2ccc(Br)cc2)CC[C@@H]1C[NH3+] ZINC001205603545 1370808153 /nfs/dbraw/zinc/80/81/53/1370808153.db2.gz QAYUEHFXLQLELU-DZGCQCFKSA-N 2 1 325.294 3.298 20 0 EGADMP COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1OC ZINC001205618612 1370812357 /nfs/dbraw/zinc/81/23/57/1370812357.db2.gz XQROGNJFRAYPAT-QWHCGFSZSA-N 2 1 326.868 3.164 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc1OC(F)F ZINC001205618608 1370812753 /nfs/dbraw/zinc/81/27/53/1370812753.db2.gz XPEAHBXPGDVXLP-OCCSQVGLSA-N 2 1 328.403 3.103 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2)CC[C@@H]1C[NH3+] ZINC001205626645 1370816545 /nfs/dbraw/zinc/81/65/45/1370816545.db2.gz HPIGYORUCSCNHG-DGCLKSJQSA-N 2 1 329.257 3.395 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(Br)c1 ZINC001205629207 1370817167 /nfs/dbraw/zinc/81/71/67/1370817167.db2.gz YKMWMGHXYQANPW-QWHCGFSZSA-N 2 1 341.293 3.265 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1OC(F)(F)F ZINC001205628330 1370818054 /nfs/dbraw/zinc/81/80/54/1370818054.db2.gz VCPXXHSRDNJXPM-JSGCOSHPSA-N 2 1 346.393 3.401 20 0 EGADMP CC(C)Oc1ncc(Cl)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205635425 1370820325 /nfs/dbraw/zinc/82/03/25/1370820325.db2.gz AIDHXBYJNBACNR-ZIAGYGMSSA-N 2 1 325.884 3.329 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CC[C@@H]1C[NH3+] ZINC001205638728 1370823041 /nfs/dbraw/zinc/82/30/41/1370823041.db2.gz RJIOKMYAZANBQL-CHWSQXEVSA-N 2 1 334.414 3.162 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccnc(Br)c2Cl)CC[C@@H]1C[NH3+] ZINC001205654581 1370829771 /nfs/dbraw/zinc/82/97/71/1370829771.db2.gz XORJRWHTBQKVBU-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccnc(Br)c2Cl)CC[C@@H]1C[NH3+] ZINC001205654581 1370829766 /nfs/dbraw/zinc/82/97/66/1370829766.db2.gz XORJRWHTBQKVBU-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP COc1ccc(-c2cccc(C[N@H+]3CCCC[C@@](O)(C[NH3+])C3)c2)cc1 ZINC001205673002 1370837349 /nfs/dbraw/zinc/83/73/49/1370837349.db2.gz NNJCJXILNLMLKC-OAQYLSRUSA-N 2 1 340.467 3.038 20 0 EGADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnoc2)CC3)c1 ZINC001205688265 1370843606 /nfs/dbraw/zinc/84/36/06/1370843606.db2.gz GUHZYYDXPWBJSV-UHFFFAOYSA-N 2 1 341.455 3.171 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]2C[NH+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001325955497 1388097778 /nfs/dbraw/zinc/09/77/78/1388097778.db2.gz MMLSVGGTAHLGAL-YSIASYRMSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001325955497 1388097782 /nfs/dbraw/zinc/09/77/82/1388097782.db2.gz MMLSVGGTAHLGAL-YSIASYRMSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001325955497 1388097788 /nfs/dbraw/zinc/09/77/88/1388097788.db2.gz MMLSVGGTAHLGAL-YSIASYRMSA-N 2 1 343.515 3.012 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCCCCOCc2ccccc2)CCC1(F)F ZINC001205736234 1370855628 /nfs/dbraw/zinc/85/56/28/1370855628.db2.gz WULFEQLCKFTYNJ-QGZVFWFLSA-N 2 1 326.431 3.289 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2ccc(Br)cc2[nH]1 ZINC001205902282 1370905086 /nfs/dbraw/zinc/90/50/86/1370905086.db2.gz JMSILPDTILNFLZ-YPMHNXCESA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001205913190 1370908689 /nfs/dbraw/zinc/90/86/89/1370908689.db2.gz HMIWYNBVJNEEGZ-NEPJUHHUSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1[nH]nc2cc(C(F)(F)F)ccc21 ZINC001205923272 1370911915 /nfs/dbraw/zinc/91/19/15/1370911915.db2.gz MDGIZDYAYCWMMN-GHMZBOCLSA-N 2 1 326.366 3.141 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cn1 ZINC001205922900 1370912128 /nfs/dbraw/zinc/91/21/28/1370912128.db2.gz DBDPNSLUVITBMJ-AEFFLSMTSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(OCc2ccccc2)cn1 ZINC001205922900 1370912135 /nfs/dbraw/zinc/91/21/35/1370912135.db2.gz DBDPNSLUVITBMJ-AEFFLSMTSA-N 2 1 325.456 3.220 20 0 EGADMP COc1ccc2c(OC)ccc(C[N@H+]3CCC[C@@H](C[NH3+])[C@H]3C)c2c1 ZINC001205923212 1370912423 /nfs/dbraw/zinc/91/24/23/1370912423.db2.gz KZIBDZBIELWMCO-CABCVRRESA-N 2 1 328.456 3.416 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[NH+]2CCC[C@H]2C1 ZINC001116443403 1370913076 /nfs/dbraw/zinc/91/30/76/1370913076.db2.gz TWCZWFMHKNJFPF-FQEVSTJZSA-N 2 1 329.532 3.315 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001116443403 1370913080 /nfs/dbraw/zinc/91/30/80/1370913080.db2.gz TWCZWFMHKNJFPF-FQEVSTJZSA-N 2 1 329.532 3.315 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001116443403 1370913082 /nfs/dbraw/zinc/91/30/82/1370913082.db2.gz TWCZWFMHKNJFPF-FQEVSTJZSA-N 2 1 329.532 3.315 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCCN2Cc2ccccc2)CCC[C@@H]1C[NH3+] ZINC001205983812 1370928788 /nfs/dbraw/zinc/92/87/88/1370928788.db2.gz PIOTUPKZFYUNBE-HMXCVIKNSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1C[N@@H+](CCc2ccc(Br)cc2)CCC[C@@H]1C[NH3+] ZINC001205981906 1370929305 /nfs/dbraw/zinc/92/93/05/1370929305.db2.gz IWLQAUMFYIUIJD-UKRRQHHQSA-N 2 1 325.294 3.298 20 0 EGADMP CC(C)Oc1ncc(Cl)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206012091 1370938577 /nfs/dbraw/zinc/93/85/77/1370938577.db2.gz ITRDKSSIVLYWQN-UONOGXRCSA-N 2 1 325.884 3.329 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](CCn2cncn2)c2ccc(C)cc2)C1 ZINC001116721906 1370961737 /nfs/dbraw/zinc/96/17/37/1370961737.db2.gz XMGHWEZGPXWJTF-AZUAARDMSA-N 2 1 341.503 3.039 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](CCCc2ccccc2Br)CC[C@@H]1F ZINC001206157494 1370974425 /nfs/dbraw/zinc/97/44/25/1370974425.db2.gz YZZHLOHZCOERCW-LSDHHAIUSA-N 2 1 329.257 3.143 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](CCCc2ccccc2Br)CC[C@@H]1F ZINC001206157494 1370974427 /nfs/dbraw/zinc/97/44/27/1370974427.db2.gz YZZHLOHZCOERCW-LSDHHAIUSA-N 2 1 329.257 3.143 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)CC[C@@H]1F ZINC001206174848 1370980191 /nfs/dbraw/zinc/98/01/91/1370980191.db2.gz PVRDINOWMSIFEV-GJZGRUSLSA-N 2 1 334.826 3.058 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206210098 1370993425 /nfs/dbraw/zinc/99/34/25/1370993425.db2.gz JZHWJZZETJVUNF-MSOLQXFVSA-N 2 1 329.419 3.018 20 0 EGADMP COC(=O)c1cccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001116880625 1370993430 /nfs/dbraw/zinc/99/34/30/1370993430.db2.gz MOGRQLIGJOTCPS-CALCHBBNSA-N 2 1 332.488 3.321 20 0 EGADMP CCC/C=C\CC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001206275472 1371010220 /nfs/dbraw/zinc/01/02/20/1371010220.db2.gz SYCDDLBNIUBBTM-OOFWQKGWSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]C2CCN(c3cccc(F)c3)CC2)s1 ZINC001117137864 1371015057 /nfs/dbraw/zinc/01/50/57/1371015057.db2.gz ROEPPTUXTWMCTB-UHFFFAOYSA-N 2 1 348.491 3.102 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cnc(-c3ccccc3F)nc2)CC1 ZINC001206310898 1371017573 /nfs/dbraw/zinc/01/75/73/1371017573.db2.gz FBTBKHWCJFFQHJ-IBGZPJMESA-N 2 1 328.435 3.234 20 0 EGADMP COc1cc(Br)ccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206318956 1371020322 /nfs/dbraw/zinc/02/03/22/1371020322.db2.gz VPSCPDBSXVDRKH-MRXNPFEDSA-N 2 1 341.293 3.409 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)C1 ZINC001117749018 1371074055 /nfs/dbraw/zinc/07/40/55/1371074055.db2.gz ULOLRSAFPAFZNV-IRXDYDNUSA-N 2 1 345.487 3.416 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206548497 1371089753 /nfs/dbraw/zinc/08/97/53/1371089753.db2.gz PYKBMZUENRYYIF-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@@H+](Cc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCC[NH2+]CC1 ZINC001206581509 1371099708 /nfs/dbraw/zinc/09/97/08/1371099708.db2.gz JOIVTUHGFHIDTD-HXUWFJFHSA-N 3 1 347.547 3.370 20 0 EGADMP CCOc1cc(C(=O)OC)ccc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206583841 1371100694 /nfs/dbraw/zinc/10/06/94/1371100694.db2.gz XGFCIQYQCPJNDH-GOSISDBHSA-N 2 1 348.487 3.224 20 0 EGADMP COC(=O)c1cc(Cl)cc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206598715 1371105081 /nfs/dbraw/zinc/10/50/81/1371105081.db2.gz LMDFLLIDXMKTIB-KRWDZBQOSA-N 2 1 338.879 3.479 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccncc1Cl ZINC001117997172 1371118492 /nfs/dbraw/zinc/11/84/92/1371118492.db2.gz JLSKACGNIWNWMB-HNNXBMFYSA-N 2 1 344.890 3.338 20 0 EGADMP FC1CC2(C1)CC[NH+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC001206684994 1371132685 /nfs/dbraw/zinc/13/26/85/1371132685.db2.gz XTMUALVNIYBIDR-UHFFFAOYSA-N 2 1 332.463 3.233 20 0 EGADMP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118263136 1371153557 /nfs/dbraw/zinc/15/35/57/1371153557.db2.gz AYEOGCFSZZAMAK-LJQANCHMSA-N 2 1 343.515 3.062 20 0 EGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001206771722 1371160749 /nfs/dbraw/zinc/16/07/49/1371160749.db2.gz XKHOVBZHYOQCEV-DGCLKSJQSA-N 2 1 334.357 3.483 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001206779535 1371162790 /nfs/dbraw/zinc/16/27/90/1371162790.db2.gz ITJAMYLIGJRSBI-MRXNPFEDSA-N 2 1 349.494 3.057 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC(C)(C)C)cc1 ZINC001118352044 1371165797 /nfs/dbraw/zinc/16/57/97/1371165797.db2.gz SUZMOVFYLLULJC-KRWDZBQOSA-N 2 1 346.519 3.005 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CC(C)C)CC1 ZINC001206858176 1371192240 /nfs/dbraw/zinc/19/22/40/1371192240.db2.gz WHBTZZIAEMUZPE-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+][C@H](CC)c2ccccc2)CC1 ZINC001206890339 1371210026 /nfs/dbraw/zinc/21/00/26/1371210026.db2.gz MJHUUSCXNWWDIK-HXUWFJFHSA-N 2 1 345.531 3.308 20 0 EGADMP CC(C)CC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953664 1371243646 /nfs/dbraw/zinc/24/36/46/1371243646.db2.gz YFUMJVWTDNFDNJ-HXUWFJFHSA-N 2 1 345.531 3.164 20 0 EGADMP COc1cncc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c1 ZINC001206993749 1371262060 /nfs/dbraw/zinc/26/20/60/1371262060.db2.gz MBTFCKHIZKYJTJ-UHFFFAOYSA-N 2 1 348.450 3.269 20 0 EGADMP Fc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)nc1 ZINC001207043445 1371276024 /nfs/dbraw/zinc/27/60/24/1371276024.db2.gz XJUDZNKNXNSBPY-UHFFFAOYSA-N 2 1 325.431 3.319 20 0 EGADMP c1[nH+]c(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n2ccccc12 ZINC001207053997 1371278321 /nfs/dbraw/zinc/27/83/21/1371278321.db2.gz CITMXZPUZPZCEU-ICSRJNTNSA-N 2 1 332.451 3.041 20 0 EGADMP c1[nH+]c(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n2ccccc12 ZINC001207053997 1371278327 /nfs/dbraw/zinc/27/83/27/1371278327.db2.gz CITMXZPUZPZCEU-ICSRJNTNSA-N 2 1 332.451 3.041 20 0 EGADMP C[N@H+](Cc1ccccc1)C1CCN(Cc2[nH+]cc3ccccn32)CC1 ZINC001207053442 1371278669 /nfs/dbraw/zinc/27/86/69/1371278669.db2.gz REAIABJQLJDUMQ-UHFFFAOYSA-N 2 1 334.467 3.431 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCN(Cc2[nH+]cc3ccccn32)CC1 ZINC001207053442 1371278675 /nfs/dbraw/zinc/27/86/75/1371278675.db2.gz REAIABJQLJDUMQ-UHFFFAOYSA-N 2 1 334.467 3.431 20 0 EGADMP Cn1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(-c2cccs2)n1 ZINC001326202325 1388126933 /nfs/dbraw/zinc/12/69/33/1388126933.db2.gz OACKJDXXGJBCKA-UHFFFAOYSA-N 2 1 330.501 3.114 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001207280346 1371348999 /nfs/dbraw/zinc/34/89/99/1371348999.db2.gz VRNPFJWGWVCNEA-LJQANCHMSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001207280346 1371349002 /nfs/dbraw/zinc/34/90/02/1371349002.db2.gz VRNPFJWGWVCNEA-LJQANCHMSA-N 2 1 339.524 3.050 20 0 EGADMP CN(C)CC(C)(C)C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001207282774 1371350890 /nfs/dbraw/zinc/35/08/90/1371350890.db2.gz NYVPPNJLOWCPNP-UHFFFAOYSA-N 2 1 329.532 3.172 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001207402728 1371386403 /nfs/dbraw/zinc/38/64/03/1371386403.db2.gz MNAZSPHBWMRVFP-VXKWHMMOSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001207402728 1371386404 /nfs/dbraw/zinc/38/64/04/1371386404.db2.gz MNAZSPHBWMRVFP-VXKWHMMOSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001207402728 1371386422 /nfs/dbraw/zinc/38/64/22/1371386422.db2.gz MNAZSPHBWMRVFP-VXKWHMMOSA-N 3 1 341.543 3.172 20 0 EGADMP C[N@@H+](CCC1CC[NH+](C)CC1)C1CCN(Cc2ccccc2)CC1 ZINC001207482636 1371409331 /nfs/dbraw/zinc/40/93/31/1371409331.db2.gz ZKVMETCRNYEPDU-UHFFFAOYSA-N 3 1 329.532 3.315 20 0 EGADMP C[N@H+](CCC1CC[NH+](C)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001207482636 1371409335 /nfs/dbraw/zinc/40/93/35/1371409335.db2.gz ZKVMETCRNYEPDU-UHFFFAOYSA-N 3 1 329.532 3.315 20 0 EGADMP C[N@@H+](CCC1CC[NH+](C)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001207482636 1371409340 /nfs/dbraw/zinc/40/93/40/1371409340.db2.gz ZKVMETCRNYEPDU-UHFFFAOYSA-N 3 1 329.532 3.315 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](CCc3ccc(F)cc3)C2)C1 ZINC001207512089 1371420142 /nfs/dbraw/zinc/42/01/42/1371420142.db2.gz BMFFKTXJKWKGAX-FQEVSTJZSA-N 2 1 334.479 3.191 20 0 EGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](CCc3ccc(F)cc3)C2)C1 ZINC001207512089 1371420145 /nfs/dbraw/zinc/42/01/45/1371420145.db2.gz BMFFKTXJKWKGAX-FQEVSTJZSA-N 2 1 334.479 3.191 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](CCc3ccc(F)cc3)C2)C1 ZINC001207512089 1371420147 /nfs/dbraw/zinc/42/01/47/1371420147.db2.gz BMFFKTXJKWKGAX-FQEVSTJZSA-N 2 1 334.479 3.191 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](CCc3ccc(F)cc3)C2)C1 ZINC001207512089 1371420150 /nfs/dbraw/zinc/42/01/50/1371420150.db2.gz BMFFKTXJKWKGAX-FQEVSTJZSA-N 2 1 334.479 3.191 20 0 EGADMP Cc1nc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)sc1C ZINC001119949085 1371430684 /nfs/dbraw/zinc/43/06/84/1371430684.db2.gz SAWIXZUSQMLJDP-UHFFFAOYSA-N 2 1 345.512 3.006 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3csc(-c4ccccn4)n3)C[C@H]2C1 ZINC001119990327 1371444327 /nfs/dbraw/zinc/44/43/27/1371444327.db2.gz VQBKYNOUPZPZPC-ZMSDIMECSA-N 2 1 342.512 3.367 20 0 EGADMP CCC/C=C/CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120010071 1371453399 /nfs/dbraw/zinc/45/33/99/1371453399.db2.gz KRASCEROWDKSBR-ZMBJWTFHSA-N 2 1 349.563 3.483 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC3=CCCCC3)CCCCC2)C1 ZINC001120009718 1371453457 /nfs/dbraw/zinc/45/34/57/1371453457.db2.gz DGVGEQVOONNQKX-IBGZPJMESA-N 2 1 347.547 3.237 20 0 EGADMP CC1CCC(C[NH2+]C2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCCCC2)CC1 ZINC001120129843 1371491819 /nfs/dbraw/zinc/49/18/19/1371491819.db2.gz OZEYKOPFDAEVQH-ACBHZAAOSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001120189731 1371503447 /nfs/dbraw/zinc/50/34/47/1371503447.db2.gz QBLOTIRSHNHXOQ-HDICACEKSA-N 2 1 335.536 3.234 20 0 EGADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](CC2(C)COC2)CC3)c1 ZINC001207794772 1371506131 /nfs/dbraw/zinc/50/61/31/1371506131.db2.gz MARARLPNLYGDLV-UHFFFAOYSA-N 2 1 344.499 3.020 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001207799747 1371508167 /nfs/dbraw/zinc/50/81/67/1371508167.db2.gz IWSJRCYXIPWWOJ-DSTKZSRVSA-N 2 1 349.563 3.290 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001207799747 1371508168 /nfs/dbraw/zinc/50/81/68/1371508168.db2.gz IWSJRCYXIPWWOJ-DSTKZSRVSA-N 2 1 349.563 3.290 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001207799747 1371508174 /nfs/dbraw/zinc/50/81/74/1371508174.db2.gz IWSJRCYXIPWWOJ-DSTKZSRVSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120423043 1371570718 /nfs/dbraw/zinc/57/07/18/1371570718.db2.gz RBPLNIQSYSSOPR-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC2CC(C)(C)C2)C1 ZINC001120430965 1371574025 /nfs/dbraw/zinc/57/40/25/1371574025.db2.gz PCNGZMCWVWSGJX-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001120450346 1371580841 /nfs/dbraw/zinc/58/08/41/1371580841.db2.gz VEBGYLNEQPPGMR-SLVIYJBESA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120450346 1371580843 /nfs/dbraw/zinc/58/08/43/1371580843.db2.gz VEBGYLNEQPPGMR-SLVIYJBESA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120450346 1371580845 /nfs/dbraw/zinc/58/08/45/1371580845.db2.gz VEBGYLNEQPPGMR-SLVIYJBESA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001120450344 1371581407 /nfs/dbraw/zinc/58/14/07/1371581407.db2.gz VEBGYLNEQPPGMR-RLWBPELLSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120450344 1371581412 /nfs/dbraw/zinc/58/14/12/1371581412.db2.gz VEBGYLNEQPPGMR-RLWBPELLSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120450344 1371581415 /nfs/dbraw/zinc/58/14/15/1371581415.db2.gz VEBGYLNEQPPGMR-RLWBPELLSA-N 2 1 349.563 3.388 20 0 EGADMP C[N@@H+](CC1(C)CC[NH+](C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001208108775 1371596635 /nfs/dbraw/zinc/59/66/35/1371596635.db2.gz FGOSIXASHKTNSY-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP COc1ccccc1O[C@@H]1CCC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208107577 1371597135 /nfs/dbraw/zinc/59/71/35/1371597135.db2.gz WICCVCOOMUOYFU-QGZVFWFLSA-N 2 1 332.488 3.270 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001208116233 1371600225 /nfs/dbraw/zinc/60/02/25/1371600225.db2.gz RXHGAFMUXUQNLD-IBGZPJMESA-N 2 1 344.499 3.174 20 0 EGADMP CC1=C[C@@H](C)[C@@H](C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001208166761 1371616172 /nfs/dbraw/zinc/61/61/72/1371616172.db2.gz BZSBOBCRSXPUOU-RTBURBONSA-N 2 1 342.531 3.329 20 0 EGADMP C[NH+](C)CC1(C[N@@H+]2CCCN(C(=O)C3CCCCC3)CC2)CCCC1 ZINC001208187668 1371625874 /nfs/dbraw/zinc/62/58/74/1371625874.db2.gz NJZSXICRMGUERM-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP C[NH+](C)CC1(C[N@H+]2CCCN(C(=O)C3CCCCC3)CC2)CCCC1 ZINC001208187668 1371625877 /nfs/dbraw/zinc/62/58/77/1371625877.db2.gz NJZSXICRMGUERM-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP COc1cccc(O[C@@H]2CCC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)n1 ZINC001208187891 1371626650 /nfs/dbraw/zinc/62/66/50/1371626650.db2.gz CRTDUFKQWAWXIZ-QGZVFWFLSA-N 2 1 347.503 3.055 20 0 EGADMP COc1cccc(O[C@@H]2CCC[N@@H+](CC3(C[NH+](C)C)CCCC3)C2)n1 ZINC001208187891 1371626651 /nfs/dbraw/zinc/62/66/51/1371626651.db2.gz CRTDUFKQWAWXIZ-QGZVFWFLSA-N 2 1 347.503 3.055 20 0 EGADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)CC1(C[NH+](C)C)CCCC1)C2 ZINC001208188303 1371628669 /nfs/dbraw/zinc/62/86/69/1371628669.db2.gz WMJBAKQDHKELAH-QGZVFWFLSA-N 2 1 346.515 3.397 20 0 EGADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001208223224 1371661509 /nfs/dbraw/zinc/66/15/09/1371661509.db2.gz WVMDKBOYZQMDSJ-MRXNPFEDSA-N 2 1 330.472 3.012 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331549 1371720446 /nfs/dbraw/zinc/72/04/46/1371720446.db2.gz UAOANNGVAUULBB-YSKLNCTFSA-N 2 1 335.536 3.186 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001208396094 1371752855 /nfs/dbraw/zinc/75/28/55/1371752855.db2.gz NOUFMVZOBZRUNT-PDTMIUJASA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001208396094 1371752863 /nfs/dbraw/zinc/75/28/63/1371752863.db2.gz NOUFMVZOBZRUNT-PDTMIUJASA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001208396094 1371752866 /nfs/dbraw/zinc/75/28/66/1371752866.db2.gz NOUFMVZOBZRUNT-PDTMIUJASA-N 2 1 349.563 3.291 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001208448085 1371769362 /nfs/dbraw/zinc/76/93/62/1371769362.db2.gz VBTZWMXYCRXKHW-HKUYNNGSSA-N 2 1 345.531 3.367 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001208448034 1371769405 /nfs/dbraw/zinc/76/94/05/1371769405.db2.gz UCDMQDNJSIYXDP-JKSUJKDBSA-N 2 1 349.494 3.198 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001208448032 1371769788 /nfs/dbraw/zinc/76/97/88/1371769788.db2.gz UCDMQDNJSIYXDP-HOTGVXAUSA-N 2 1 349.494 3.198 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208454585 1371773066 /nfs/dbraw/zinc/77/30/66/1371773066.db2.gz YOYXLOXFVORFQX-INIZCTEOSA-N 2 1 325.541 3.124 20 0 EGADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001208614387 1371841118 /nfs/dbraw/zinc/84/11/18/1371841118.db2.gz DCFOUVJZODHPSQ-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001208614387 1371841142 /nfs/dbraw/zinc/84/11/42/1371841142.db2.gz DCFOUVJZODHPSQ-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001208614387 1371841151 /nfs/dbraw/zinc/84/11/51/1371841151.db2.gz DCFOUVJZODHPSQ-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001208614387 1371841157 /nfs/dbraw/zinc/84/11/57/1371841157.db2.gz DCFOUVJZODHPSQ-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(CC2)OC(=O)c2cc(Cl)ccc23)C1 ZINC001208614968 1371841748 /nfs/dbraw/zinc/84/17/48/1371841748.db2.gz GAINEKKSHODOGU-AWEZNQCLSA-N 2 1 348.874 3.143 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC001121117103 1371857722 /nfs/dbraw/zinc/85/77/22/1371857722.db2.gz DVNNXDIQODWYDE-SSBRDVDXSA-N 2 1 347.547 3.068 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(C)C)C[C@H]1C)[NH+](C)C ZINC001208699865 1371867524 /nfs/dbraw/zinc/86/75/24/1371867524.db2.gz XMQWKOJZEYLGAO-AHRSYUTCSA-N 2 1 345.531 3.087 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC(C)C)C2 ZINC001121193315 1371885106 /nfs/dbraw/zinc/88/51/06/1371885106.db2.gz AGKIXXHYQUYQBO-FCOWATRHSA-N 2 1 349.563 3.314 20 0 EGADMP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001121348350 1371945904 /nfs/dbraw/zinc/94/59/04/1371945904.db2.gz WHCMJKULYXTURO-SSBRDVDXSA-N 2 1 349.563 3.170 20 0 EGADMP OCC[N@H+](Cc1ccccc1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208927637 1371948513 /nfs/dbraw/zinc/94/85/13/1371948513.db2.gz AYPSHGPTGYJAEF-QFIPXVFZSA-N 2 1 338.495 3.393 20 0 EGADMP OCC[NH+](Cc1ccccc1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208927637 1371948519 /nfs/dbraw/zinc/94/85/19/1371948519.db2.gz AYPSHGPTGYJAEF-QFIPXVFZSA-N 2 1 338.495 3.393 20 0 EGADMP OCC[NH+](Cc1ccccc1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208927637 1371948522 /nfs/dbraw/zinc/94/85/22/1371948522.db2.gz AYPSHGPTGYJAEF-QFIPXVFZSA-N 2 1 338.495 3.393 20 0 EGADMP O=C1CCC2(CC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)O1 ZINC001208937928 1371953781 /nfs/dbraw/zinc/95/37/81/1371953781.db2.gz WJQAQUHEHVPPQD-IBGZPJMESA-N 2 1 342.483 3.070 20 0 EGADMP O=C1CCC2(CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)O1 ZINC001208937928 1371953784 /nfs/dbraw/zinc/95/37/84/1371953784.db2.gz WJQAQUHEHVPPQD-IBGZPJMESA-N 2 1 342.483 3.070 20 0 EGADMP COC(=O)C[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939133 1371954158 /nfs/dbraw/zinc/95/41/58/1371954158.db2.gz FWLXHNAYFOYVJI-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)C[C@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208939133 1371954165 /nfs/dbraw/zinc/95/41/65/1371954165.db2.gz FWLXHNAYFOYVJI-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)C[C@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939133 1371954169 /nfs/dbraw/zinc/95/41/69/1371954169.db2.gz FWLXHNAYFOYVJI-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP CCC[N@@H+]1C[C@H]2CN(C[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208942981 1371957382 /nfs/dbraw/zinc/95/73/82/1371957382.db2.gz KONPKYDKMQBROS-FDFHNCONSA-N 2 1 341.543 3.172 20 0 EGADMP CCC[NH+]1C[C@H]2CN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208942981 1371957383 /nfs/dbraw/zinc/95/73/83/1371957383.db2.gz KONPKYDKMQBROS-FDFHNCONSA-N 2 1 341.543 3.172 20 0 EGADMP CCC[NH+]1C[C@H]2CN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208942981 1371957388 /nfs/dbraw/zinc/95/73/88/1371957388.db2.gz KONPKYDKMQBROS-FDFHNCONSA-N 2 1 341.543 3.172 20 0 EGADMP COC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208947444 1371958836 /nfs/dbraw/zinc/95/88/36/1371958836.db2.gz KDUMEUZMVJIZKT-PMACEKPBSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)[C@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208947444 1371958845 /nfs/dbraw/zinc/95/88/45/1371958845.db2.gz KDUMEUZMVJIZKT-PMACEKPBSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)[C@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208947444 1371958849 /nfs/dbraw/zinc/95/88/49/1371958849.db2.gz KDUMEUZMVJIZKT-PMACEKPBSA-N 2 1 344.499 3.174 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001121402896 1371964101 /nfs/dbraw/zinc/96/41/01/1371964101.db2.gz WCFCTRXRLYGVBD-UHFFFAOYSA-N 2 1 346.519 3.035 20 0 EGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(CCc1cc(F)cc(F)c1)C2 ZINC001209131131 1372008070 /nfs/dbraw/zinc/00/80/70/1372008070.db2.gz ZHWSMSYKPXSHFN-UHFFFAOYSA-N 2 1 348.441 3.060 20 0 EGADMP CC(=O)OC(C)(C)CCC[N@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001209154606 1372016784 /nfs/dbraw/zinc/01/67/84/1372016784.db2.gz PUCNQPLPUVOYSP-HDICACEKSA-N 2 1 348.487 3.155 20 0 EGADMP CC(=O)OC(C)(C)CCC[N@@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001209154606 1372016790 /nfs/dbraw/zinc/01/67/90/1372016790.db2.gz PUCNQPLPUVOYSP-HDICACEKSA-N 2 1 348.487 3.155 20 0 EGADMP CC(=O)OC(C)(C)CCC[NH+]1C[C@H]2C[C@@H](C1)C[N@@H+](Cc1ccco1)C2 ZINC001209154606 1372016793 /nfs/dbraw/zinc/01/67/93/1372016793.db2.gz PUCNQPLPUVOYSP-HDICACEKSA-N 2 1 348.487 3.155 20 0 EGADMP CC(=O)OC(C)(C)CCC[NH+]1C[C@H]2C[C@@H](C1)C[N@H+](Cc1ccco1)C2 ZINC001209154606 1372016795 /nfs/dbraw/zinc/01/67/95/1372016795.db2.gz PUCNQPLPUVOYSP-HDICACEKSA-N 2 1 348.487 3.155 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001209206185 1372038776 /nfs/dbraw/zinc/03/87/76/1372038776.db2.gz YUTDQOKCTMQIJO-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001121767390 1372074843 /nfs/dbraw/zinc/07/48/43/1372074843.db2.gz DLXHVKKVFCWOES-KZYAKZRFSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)(C)CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001121779263 1372078684 /nfs/dbraw/zinc/07/86/84/1372078684.db2.gz WLHHLDOMONYNNT-UHFFFAOYSA-N 2 1 349.563 3.172 20 0 EGADMP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001121778951 1372078896 /nfs/dbraw/zinc/07/88/96/1372078896.db2.gz GMBMYZRIMRRHRK-UHFFFAOYSA-N 2 1 349.563 3.172 20 0 EGADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C[C@@H]4C[C@@H]4C)CC3)C2)cc1 ZINC001209411600 1372098883 /nfs/dbraw/zinc/09/88/83/1372098883.db2.gz CTVIIQXSKVFCAI-ICSRJNTNSA-N 2 1 328.500 3.318 20 0 EGADMP CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001122039729 1372159383 /nfs/dbraw/zinc/15/93/83/1372159383.db2.gz PUZOXEOPIKYZHS-FCOWATRHSA-N 2 1 349.563 3.458 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209950659 1372239152 /nfs/dbraw/zinc/23/91/52/1372239152.db2.gz GMRCOOUAISONPP-MOPGFXCFSA-N 2 1 337.552 3.410 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210041146 1372261499 /nfs/dbraw/zinc/26/14/99/1372261499.db2.gz QEPQKZSLCWDOAR-LZQZEXGQSA-N 2 1 349.494 3.055 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210041146 1372261505 /nfs/dbraw/zinc/26/15/05/1372261505.db2.gz QEPQKZSLCWDOAR-LZQZEXGQSA-N 2 1 349.494 3.055 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210041146 1372261506 /nfs/dbraw/zinc/26/15/06/1372261506.db2.gz QEPQKZSLCWDOAR-LZQZEXGQSA-N 2 1 349.494 3.055 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001210494533 1372365864 /nfs/dbraw/zinc/36/58/64/1372365864.db2.gz VWTJLHPJOODKHU-BESKYLIDSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001210796397 1372428299 /nfs/dbraw/zinc/42/82/99/1372428299.db2.gz FTQJYZXRRLFUSV-IRXDYDNUSA-N 2 1 349.494 3.199 20 0 EGADMP C[C@@H]1CCc2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)sc2C1 ZINC001326463629 1388200347 /nfs/dbraw/zinc/20/03/47/1388200347.db2.gz FRKYRSZBWZZKSE-SRABZTEZSA-N 2 1 349.544 3.129 20 0 EGADMP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211268012 1372516388 /nfs/dbraw/zinc/51/63/88/1372516388.db2.gz GAUWHAZXGBFBRN-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211292277 1372522765 /nfs/dbraw/zinc/52/27/65/1372522765.db2.gz KYMXOVQKKUEKNB-AJWBFMOXSA-N 2 1 343.515 3.155 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211309356 1372525927 /nfs/dbraw/zinc/52/59/27/1372525927.db2.gz BFQSYMCGRVVEEX-ASIGSXEYSA-N 2 1 335.536 3.045 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001211367081 1372541441 /nfs/dbraw/zinc/54/14/41/1372541441.db2.gz NMOGYCCKAVGALC-WUYYXPQKSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001211367081 1372541444 /nfs/dbraw/zinc/54/14/44/1372541444.db2.gz NMOGYCCKAVGALC-WUYYXPQKSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001211367081 1372541448 /nfs/dbraw/zinc/54/14/48/1372541448.db2.gz NMOGYCCKAVGALC-WUYYXPQKSA-N 2 1 335.536 3.044 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001211429454 1372557383 /nfs/dbraw/zinc/55/73/83/1372557383.db2.gz KCONYDZAIRBBDI-SJLPKXTDSA-N 2 1 349.519 3.362 20 0 EGADMP Cc1cc(F)c(F)c(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1 ZINC001212145386 1372663848 /nfs/dbraw/zinc/66/38/48/1372663848.db2.gz RMOYREABBQTFLD-AWEZNQCLSA-N 2 1 338.402 3.491 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cccc3cnccc32)no1 ZINC001212145430 1372663920 /nfs/dbraw/zinc/66/39/20/1372663920.db2.gz URCNRJXAGUPEEB-KRWDZBQOSA-N 2 1 339.443 3.453 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C2CCCCC2)cc1 ZINC001124866964 1372736600 /nfs/dbraw/zinc/73/66/00/1372736600.db2.gz OLFJFGHAPURRBC-HXUWFJFHSA-N 2 1 343.515 3.034 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001214780426 1373118037 /nfs/dbraw/zinc/11/80/37/1373118037.db2.gz ZQMTUGQJFGSVIB-NCPJDUFYSA-N 2 1 335.536 3.044 20 0 EGADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326584275 1388247814 /nfs/dbraw/zinc/24/78/14/1388247814.db2.gz UJVSSRNISFBGCH-QGZVFWFLSA-N 2 1 329.488 3.096 20 0 EGADMP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326584286 1388247992 /nfs/dbraw/zinc/24/79/92/1388247992.db2.gz VBKHULBGKHVTSN-MSOLQXFVSA-N 2 1 343.515 3.026 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001188145941 1388250033 /nfs/dbraw/zinc/25/00/33/1388250033.db2.gz RXZOOWHWSUXZTN-HEVSSNLLSA-N 2 1 343.515 3.226 20 0 EGADMP C[NH2+]Cc1cccc(Nc2ccc(C[NH+]3CCOCC3)cc2)c1F ZINC001216222685 1373284511 /nfs/dbraw/zinc/28/45/11/1373284511.db2.gz RAPTVEUWOWPQQO-UHFFFAOYSA-N 2 1 329.419 3.121 20 0 EGADMP C[NH2+]Cc1cccc(Nc2cccc(F)c2N2CC[NH+](C)CC2)c1F ZINC001216226377 1373285553 /nfs/dbraw/zinc/28/55/53/1373285553.db2.gz LSYVBLJEBSLACW-UHFFFAOYSA-N 2 1 346.425 3.180 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC001129328720 1373372482 /nfs/dbraw/zinc/37/24/82/1373372482.db2.gz RVIKTBRHGQTFKJ-RTBURBONSA-N 2 1 345.531 3.048 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129416492 1373381626 /nfs/dbraw/zinc/38/16/26/1373381626.db2.gz IGPAOXJIXNLBSP-ZWKOTPCHSA-N 2 1 331.504 3.025 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]Cc1ccccc1C1CC1 ZINC001129422447 1373382184 /nfs/dbraw/zinc/38/21/84/1373382184.db2.gz IWTSPXNVPGYKRM-LJQANCHMSA-N 2 1 343.515 3.033 20 0 EGADMP CCCc1ccc(C[NH2+]CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001129421944 1373382458 /nfs/dbraw/zinc/38/24/58/1373382458.db2.gz DSSWZUZBHABSPB-HXUWFJFHSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001129839484 1373427802 /nfs/dbraw/zinc/42/78/02/1373427802.db2.gz ALNBLAGQPFNEOG-PXNSSMCTSA-N 2 1 345.531 3.451 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001130299778 1373487546 /nfs/dbraw/zinc/48/75/46/1373487546.db2.gz CROSCEJYHBJGNO-FQEVSTJZSA-N 2 1 343.515 3.034 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@](C)(CO[C@@H]2CCC[NH2+]CC2)O1 ZINC001217778434 1373499716 /nfs/dbraw/zinc/49/97/16/1373499716.db2.gz OOOGHNSERRNSIG-TZIWHRDSSA-N 2 1 346.515 3.215 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3OCC[C@@H]2CC[NH2+]C2)cc1 ZINC001217809351 1373503088 /nfs/dbraw/zinc/50/30/88/1373503088.db2.gz RXZYTXKMTOHDME-YBVXAUJNSA-N 2 1 328.500 3.303 20 0 EGADMP C[C@@H](OCCCCCCC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001217870418 1373509058 /nfs/dbraw/zinc/50/90/58/1373509058.db2.gz SSDOCAXFXGUJBD-QUCCMNQESA-N 2 1 334.504 3.202 20 0 EGADMP C[C@@H](OCCCCCCC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001217870418 1373509064 /nfs/dbraw/zinc/50/90/64/1373509064.db2.gz SSDOCAXFXGUJBD-QUCCMNQESA-N 2 1 334.504 3.202 20 0 EGADMP CCc1ccccc1C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130615893 1373570971 /nfs/dbraw/zinc/57/09/71/1373570971.db2.gz UYJABRCFRDRCFK-UHFFFAOYSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccccc1C(C)C ZINC001130713146 1373583732 /nfs/dbraw/zinc/58/37/32/1373583732.db2.gz DIWWLRMOUUEVHR-HXUWFJFHSA-N 2 1 345.531 3.136 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc2c(n1)C[N@@H+](Cc1ccccc1)CC2 ZINC001218482204 1373622713 /nfs/dbraw/zinc/62/27/13/1373622713.db2.gz DRUJMUAQIIJTML-UZLBHIALSA-N 2 1 337.467 3.017 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc2c(n1)C[N@H+](Cc1ccccc1)CC2 ZINC001218482204 1373622721 /nfs/dbraw/zinc/62/27/21/1373622721.db2.gz DRUJMUAQIIJTML-UZLBHIALSA-N 2 1 337.467 3.017 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848272 1373797430 /nfs/dbraw/zinc/79/74/30/1373797430.db2.gz IAJAECXMUPKRIE-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221848272 1373797434 /nfs/dbraw/zinc/79/74/34/1373797434.db2.gz IAJAECXMUPKRIE-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221848272 1373797437 /nfs/dbraw/zinc/79/74/37/1373797437.db2.gz IAJAECXMUPKRIE-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCC3CCCCCC3)C[C@H]21 ZINC001221972924 1373809941 /nfs/dbraw/zinc/80/99/41/1373809941.db2.gz PLJWYQNYYDBGKL-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CCC3CCCCCC3)C[C@H]21 ZINC001221972924 1373809950 /nfs/dbraw/zinc/80/99/50/1373809950.db2.gz PLJWYQNYYDBGKL-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CCC3CCCCCC3)C[C@H]21 ZINC001221972924 1373809953 /nfs/dbraw/zinc/80/99/53/1373809953.db2.gz PLJWYQNYYDBGKL-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222092229 1373816910 /nfs/dbraw/zinc/81/69/10/1373816910.db2.gz LNWRICSDVHIIBJ-HXUWFJFHSA-N 2 1 345.531 3.135 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222092229 1373816915 /nfs/dbraw/zinc/81/69/15/1373816915.db2.gz LNWRICSDVHIIBJ-HXUWFJFHSA-N 2 1 345.531 3.135 20 0 EGADMP COc1ccc2c(c1)[nH]nc2C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222173118 1373818956 /nfs/dbraw/zinc/81/89/56/1373818956.db2.gz QYWONFUPICJEQA-FQEVSTJZSA-N 2 1 342.487 3.317 20 0 EGADMP COc1ccc2c(c1)[nH]nc2C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222173118 1373818960 /nfs/dbraw/zinc/81/89/60/1373818960.db2.gz QYWONFUPICJEQA-FQEVSTJZSA-N 2 1 342.487 3.317 20 0 EGADMP O=C(NCC1([NH2+]CCC2CC2)CCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001326875190 1388334776 /nfs/dbraw/zinc/33/47/76/1388334776.db2.gz LOTDRFRSIOWCAK-LJQANCHMSA-N 2 1 347.547 3.212 20 0 EGADMP Cc1ccc(N2CCC(Oc3ccc(C[NH+](C)C)cc3)CC2)[nH+]c1 ZINC001225332532 1375105112 /nfs/dbraw/zinc/10/51/12/1375105112.db2.gz LGJNKCPDUICDRH-UHFFFAOYSA-N 2 1 325.456 3.499 20 0 EGADMP CCCCCC[NH+]1CCC(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001225542080 1375122162 /nfs/dbraw/zinc/12/21/62/1375122162.db2.gz HHSPCGCEFCUGMI-HDICACEKSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132123459 1375157797 /nfs/dbraw/zinc/15/77/97/1375157797.db2.gz DUJWXBPGFNCGNN-WWAPKCSDSA-N 2 1 347.547 3.188 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)CC[C@@H]1C ZINC001132133065 1375163840 /nfs/dbraw/zinc/16/38/40/1375163840.db2.gz XLXJSRMDESUDJQ-HOCLYGCPSA-N 2 1 328.460 3.336 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132150396 1375172026 /nfs/dbraw/zinc/17/20/26/1375172026.db2.gz QMVBXEALOFDVMP-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](CCCC2CCC2)C1 ZINC001132153834 1375174280 /nfs/dbraw/zinc/17/42/80/1375174280.db2.gz UFMWOGJJMJBENV-SJLPKXTDSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCC2CCC2)C1 ZINC001132153834 1375174283 /nfs/dbraw/zinc/17/42/83/1375174283.db2.gz UFMWOGJJMJBENV-SJLPKXTDSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC2CCC2)C1 ZINC001132153834 1375174286 /nfs/dbraw/zinc/17/42/86/1375174286.db2.gz UFMWOGJJMJBENV-SJLPKXTDSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@H+]1CCC1CC1 ZINC001132207693 1375210697 /nfs/dbraw/zinc/21/06/97/1375210697.db2.gz VWIPGJODHLEYQG-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[NH+]1CCC1CC1 ZINC001132207693 1375210713 /nfs/dbraw/zinc/21/07/13/1375210713.db2.gz VWIPGJODHLEYQG-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[NH+]1CCC1CC1 ZINC001132207693 1375210723 /nfs/dbraw/zinc/21/07/23/1375210723.db2.gz VWIPGJODHLEYQG-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1nn2c(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)c(C(C)C)nc2s1 ZINC001327004968 1388364054 /nfs/dbraw/zinc/36/40/54/1388364054.db2.gz PCAYBBITGOPPLO-UHFFFAOYSA-N 2 1 347.532 3.188 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001132265375 1375253942 /nfs/dbraw/zinc/25/39/42/1375253942.db2.gz LTARVLXAPCAYFP-ZZGCUDHESA-N 2 1 347.503 3.280 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001132265375 1375253944 /nfs/dbraw/zinc/25/39/44/1375253944.db2.gz LTARVLXAPCAYFP-ZZGCUDHESA-N 2 1 347.503 3.280 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CCCC(C)(C)C ZINC001132264808 1375254915 /nfs/dbraw/zinc/25/49/15/1375254915.db2.gz BUBRRNBFPYSWMF-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CCC1CCCCC1 ZINC001132265496 1375254946 /nfs/dbraw/zinc/25/49/46/1375254946.db2.gz NVNDZWXHUDUGTI-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001132266721 1375256029 /nfs/dbraw/zinc/25/60/29/1375256029.db2.gz ZDEVYQTVHCDBLY-FUHWJXTLSA-N 2 1 349.519 3.360 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001132266721 1375256033 /nfs/dbraw/zinc/25/60/33/1375256033.db2.gz ZDEVYQTVHCDBLY-FUHWJXTLSA-N 2 1 349.519 3.360 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CC1CCC2(CC2)CC1 ZINC001132270956 1375258789 /nfs/dbraw/zinc/25/87/89/1375258789.db2.gz XXCXCBXKQCTLHZ-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132332847 1375312469 /nfs/dbraw/zinc/31/24/69/1375312469.db2.gz XILLPNVZMNJNOW-SJORKVTESA-N 2 1 334.508 3.166 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132332847 1375312478 /nfs/dbraw/zinc/31/24/78/1375312478.db2.gz XILLPNVZMNJNOW-SJORKVTESA-N 2 1 334.508 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2CC2)C1 ZINC001132335861 1375316521 /nfs/dbraw/zinc/31/65/21/1375316521.db2.gz VLCATRPMERHOCL-FUHWJXTLSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC2CC2)C1 ZINC001132335861 1375316526 /nfs/dbraw/zinc/31/65/26/1375316526.db2.gz VLCATRPMERHOCL-FUHWJXTLSA-N 2 1 346.519 3.166 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CCC2CC2)C1 ZINC001132365636 1375329280 /nfs/dbraw/zinc/32/92/80/1375329280.db2.gz NGXJNFCTBUFVSZ-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2CC2)C1 ZINC001132365636 1375329286 /nfs/dbraw/zinc/32/92/86/1375329286.db2.gz NGXJNFCTBUFVSZ-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC2CC2)C1 ZINC001132365636 1375329292 /nfs/dbraw/zinc/32/92/92/1375329292.db2.gz NGXJNFCTBUFVSZ-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132366071 1375329595 /nfs/dbraw/zinc/32/95/95/1375329595.db2.gz VVLQGABALZVMTI-FUHWJXTLSA-N 2 1 334.508 3.131 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132366071 1375329598 /nfs/dbraw/zinc/32/95/98/1375329598.db2.gz VVLQGABALZVMTI-FUHWJXTLSA-N 2 1 334.508 3.131 20 0 EGADMP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](C/C=C/Cl)C1 ZINC001132364904 1375330190 /nfs/dbraw/zinc/33/01/90/1375330190.db2.gz GOZJUYBYIDDDGN-ZJJGVRJWSA-N 2 1 343.943 3.220 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](C/C=C/Cl)C1 ZINC001132364904 1375330195 /nfs/dbraw/zinc/33/01/95/1375330195.db2.gz GOZJUYBYIDDDGN-ZJJGVRJWSA-N 2 1 343.943 3.220 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](C/C=C/Cl)C1 ZINC001132364904 1375330199 /nfs/dbraw/zinc/33/01/99/1375330199.db2.gz GOZJUYBYIDDDGN-ZJJGVRJWSA-N 2 1 343.943 3.220 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](C/C=C/Cl)C1 ZINC001132364904 1375330205 /nfs/dbraw/zinc/33/02/05/1375330205.db2.gz GOZJUYBYIDDDGN-ZJJGVRJWSA-N 2 1 343.943 3.220 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001132367764 1375331700 /nfs/dbraw/zinc/33/17/00/1375331700.db2.gz FUNAURNHIYDCBI-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001132376127 1375337979 /nfs/dbraw/zinc/33/79/79/1375337979.db2.gz JRRKHKIQOFJNHL-HKUYNNGSSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132375256 1375338510 /nfs/dbraw/zinc/33/85/10/1375338510.db2.gz CCYATQHAGCCEOO-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001132376955 1375338563 /nfs/dbraw/zinc/33/85/63/1375338563.db2.gz RZPDRKJLTBLLRW-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC001226889857 1375352783 /nfs/dbraw/zinc/35/27/83/1375352783.db2.gz DIACAZKEUGOOGB-KZNAEPCWSA-N 2 1 341.515 3.018 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001226891843 1375353501 /nfs/dbraw/zinc/35/35/01/1375353501.db2.gz VKNRSURCMWUFOK-VAMGGRTRSA-N 2 1 347.547 3.378 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001226891966 1375353524 /nfs/dbraw/zinc/35/35/24/1375353524.db2.gz WYJIGGYQDPUCOQ-GUDVDZBRSA-N 2 1 337.552 3.314 20 0 EGADMP CCc1ccc(C[NH+]2C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@H]2C)cc1 ZINC001132409836 1375358052 /nfs/dbraw/zinc/35/80/52/1375358052.db2.gz FTBPCQNJYKFRKH-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@H]2C)cc1 ZINC001132409836 1375358062 /nfs/dbraw/zinc/35/80/62/1375358062.db2.gz FTBPCQNJYKFRKH-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@H]2C)cc1 ZINC001132409836 1375358066 /nfs/dbraw/zinc/35/80/66/1375358066.db2.gz FTBPCQNJYKFRKH-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[NH+]2C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@H]2C)c1 ZINC001132409816 1375358130 /nfs/dbraw/zinc/35/81/30/1375358130.db2.gz FMGJMTUMWPKBOC-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@H]2C)c1 ZINC001132409816 1375358132 /nfs/dbraw/zinc/35/81/32/1375358132.db2.gz FMGJMTUMWPKBOC-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@H]2C)c1 ZINC001132409816 1375358136 /nfs/dbraw/zinc/35/81/36/1375358136.db2.gz FMGJMTUMWPKBOC-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132410056 1375359031 /nfs/dbraw/zinc/35/90/31/1375359031.db2.gz JHTUQWWNVUJALR-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001132410056 1375359034 /nfs/dbraw/zinc/35/90/34/1375359034.db2.gz JHTUQWWNVUJALR-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001132410056 1375359037 /nfs/dbraw/zinc/35/90/37/1375359037.db2.gz JHTUQWWNVUJALR-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132411055 1375360303 /nfs/dbraw/zinc/36/03/03/1375360303.db2.gz SFVIJBKZAIOAPO-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001132411055 1375360307 /nfs/dbraw/zinc/36/03/07/1375360307.db2.gz SFVIJBKZAIOAPO-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001132411055 1375360313 /nfs/dbraw/zinc/36/03/13/1375360313.db2.gz SFVIJBKZAIOAPO-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CC1=CCCCC1 ZINC001132436599 1375380654 /nfs/dbraw/zinc/38/06/54/1375380654.db2.gz MTGRGDODOYZRRB-PKOBYXMFSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2c(C)cccc2C)C1 ZINC001132440448 1375383354 /nfs/dbraw/zinc/38/33/54/1375383354.db2.gz AMWKHYLBOXMBFG-OALUTQOASA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2c(C)cccc2C)C1 ZINC001132440448 1375383360 /nfs/dbraw/zinc/38/33/60/1375383360.db2.gz AMWKHYLBOXMBFG-OALUTQOASA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2c(C)cccc2C)C1 ZINC001132440448 1375383365 /nfs/dbraw/zinc/38/33/65/1375383365.db2.gz AMWKHYLBOXMBFG-OALUTQOASA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C)cc2C)C1 ZINC001132440902 1375384658 /nfs/dbraw/zinc/38/46/58/1375384658.db2.gz HRYJIOUZHZVVNZ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2C)C1 ZINC001132440902 1375384662 /nfs/dbraw/zinc/38/46/62/1375384662.db2.gz HRYJIOUZHZVVNZ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001132440902 1375384667 /nfs/dbraw/zinc/38/46/67/1375384667.db2.gz HRYJIOUZHZVVNZ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(CC)cc2)C1 ZINC001132440774 1375384814 /nfs/dbraw/zinc/38/48/14/1375384814.db2.gz FPPIMIILDDWHLA-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(CC)cc2)C1 ZINC001132440774 1375384819 /nfs/dbraw/zinc/38/48/19/1375384819.db2.gz FPPIMIILDDWHLA-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(CC)cc2)C1 ZINC001132440774 1375384823 /nfs/dbraw/zinc/38/48/23/1375384823.db2.gz FPPIMIILDDWHLA-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[N@H+]1CCC1CC1 ZINC001132494661 1375424551 /nfs/dbraw/zinc/42/45/51/1375424551.db2.gz VSLXUCIUOSIOHB-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCc1cccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132522463 1375439465 /nfs/dbraw/zinc/43/94/65/1375439465.db2.gz PEDIZGSCRNGPBQ-PXNSSMCTSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132522463 1375439467 /nfs/dbraw/zinc/43/94/67/1375439467.db2.gz PEDIZGSCRNGPBQ-PXNSSMCTSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132522463 1375439470 /nfs/dbraw/zinc/43/94/70/1375439470.db2.gz PEDIZGSCRNGPBQ-PXNSSMCTSA-N 2 1 345.531 3.058 20 0 EGADMP CCC/C=C/CC[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001227791267 1375474702 /nfs/dbraw/zinc/47/47/02/1375474702.db2.gz BIWRRWULLKLLRE-SHCNBLLESA-N 2 1 344.503 3.088 20 0 EGADMP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001227791263 1375474818 /nfs/dbraw/zinc/47/48/18/1375474818.db2.gz BIWRRWULLKLLRE-PYTPGESOSA-N 2 1 344.503 3.088 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001228138111 1375520319 /nfs/dbraw/zinc/52/03/19/1375520319.db2.gz OKWXFSCGGRHXCX-HPFJUIBNSA-N 2 1 349.563 3.482 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccccc1 ZINC001132794672 1375568442 /nfs/dbraw/zinc/56/84/42/1375568442.db2.gz FFFAUUDIYFZASN-FXAWDEMLSA-N 2 1 343.515 3.251 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001228647258 1375626333 /nfs/dbraw/zinc/62/63/33/1375626333.db2.gz QBPYLEUFTCFGJJ-IAGOWNOFSA-N 2 1 325.541 3.172 20 0 EGADMP C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C[NH2+]CC1CC1 ZINC001133011171 1375710307 /nfs/dbraw/zinc/71/03/07/1375710307.db2.gz HISSFTMYVCEGCF-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001188895165 1388404033 /nfs/dbraw/zinc/40/40/33/1388404033.db2.gz GHSXGDVICSWCHT-XUVXKRRUSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001188895165 1388404036 /nfs/dbraw/zinc/40/40/36/1388404036.db2.gz GHSXGDVICSWCHT-XUVXKRRUSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001188895165 1388404039 /nfs/dbraw/zinc/40/40/39/1388404039.db2.gz GHSXGDVICSWCHT-XUVXKRRUSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF)c1ccccc1 ZINC001229652630 1375873122 /nfs/dbraw/zinc/87/31/22/1375873122.db2.gz QGUAFHNKIGWLHY-QRVBRYPASA-N 2 1 349.494 3.056 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133274493 1375888868 /nfs/dbraw/zinc/88/88/68/1375888868.db2.gz IYMLSAKRKKHALN-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC001229852429 1375904585 /nfs/dbraw/zinc/90/45/85/1375904585.db2.gz IESWKDUKYQNTFV-RTBURBONSA-N 2 1 349.494 3.075 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CC(C)C ZINC001229868237 1375908846 /nfs/dbraw/zinc/90/88/46/1375908846.db2.gz DXZWBFDTFAQKJU-RCCFBDPRSA-N 2 1 325.541 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001230107713 1375944856 /nfs/dbraw/zinc/94/48/56/1375944856.db2.gz UZRYJEOJFZMBST-KRWDZBQOSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001230107657 1375945100 /nfs/dbraw/zinc/94/51/00/1375945100.db2.gz RGJLCBDGEPKREM-UHFFFAOYSA-N 2 1 345.531 3.116 20 0 EGADMP CCCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001230537430 1376059754 /nfs/dbraw/zinc/05/97/54/1376059754.db2.gz GKZAMOVHULPOEG-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001230537430 1376059774 /nfs/dbraw/zinc/05/97/74/1376059774.db2.gz GKZAMOVHULPOEG-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001230537430 1376059790 /nfs/dbraw/zinc/05/97/90/1376059790.db2.gz GKZAMOVHULPOEG-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230591955 1376090429 /nfs/dbraw/zinc/09/04/29/1376090429.db2.gz NRIQNZBNBZDNAT-ROUKRRSUSA-N 2 1 349.563 3.388 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+]2CC2CCCC2)CC1 ZINC001230617543 1376104085 /nfs/dbraw/zinc/10/40/85/1376104085.db2.gz CMQIWRANAPQTTF-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CCCC2)CC1 ZINC001230617543 1376104091 /nfs/dbraw/zinc/10/40/91/1376104091.db2.gz CMQIWRANAPQTTF-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC2CCCC2)CC1 ZINC001230617543 1376104094 /nfs/dbraw/zinc/10/40/94/1376104094.db2.gz CMQIWRANAPQTTF-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628510 1376105936 /nfs/dbraw/zinc/10/59/36/1376105936.db2.gz ITSQDBDUTRTJBG-IBGZPJMESA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+]2CC2CC(C)C2)CC1 ZINC001230629991 1376107467 /nfs/dbraw/zinc/10/74/67/1376107467.db2.gz RGARPIXSPSXMSP-QLOJAFMTSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CC(C)C2)CC1 ZINC001230629991 1376107470 /nfs/dbraw/zinc/10/74/70/1376107470.db2.gz RGARPIXSPSXMSP-QLOJAFMTSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CC(C)C2)CC1 ZINC001230629991 1376107473 /nfs/dbraw/zinc/10/74/73/1376107473.db2.gz RGARPIXSPSXMSP-QLOJAFMTSA-N 2 1 349.563 3.076 20 0 EGADMP Clc1cccnc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001231958457 1376361203 /nfs/dbraw/zinc/36/12/03/1376361203.db2.gz YXMRPMZGPAHAKN-UHFFFAOYSA-N 2 1 337.895 3.059 20 0 EGADMP CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012717 1376381029 /nfs/dbraw/zinc/38/10/29/1376381029.db2.gz OTSWKBVUKZBGKC-UHFFFAOYSA-N 2 1 342.443 3.052 20 0 EGADMP CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012717 1376381036 /nfs/dbraw/zinc/38/10/36/1376381036.db2.gz OTSWKBVUKZBGKC-UHFFFAOYSA-N 2 1 342.443 3.052 20 0 EGADMP Cc1cc(C)c(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c(C)c1 ZINC001134759294 1376704326 /nfs/dbraw/zinc/70/43/26/1376704326.db2.gz LEDLQVNBIQOBNY-FQEVSTJZSA-N 2 1 345.531 3.081 20 0 EGADMP CCCc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001134762984 1376707382 /nfs/dbraw/zinc/70/73/82/1376707382.db2.gz JOIBECNPABNEQA-FQEVSTJZSA-N 2 1 345.531 3.108 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001134773662 1376714390 /nfs/dbraw/zinc/71/43/90/1376714390.db2.gz QDUKRKCGLHXTJG-ROUUACIJSA-N 2 1 347.547 3.141 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2c(OC)cccc12 ZINC001235034380 1376832963 /nfs/dbraw/zinc/83/29/63/1376832963.db2.gz XDHGIYHCSXWZGR-HXUWFJFHSA-N 2 1 326.440 3.042 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001135029598 1376857775 /nfs/dbraw/zinc/85/77/75/1376857775.db2.gz PBWQBIMTBBEGRO-JKSUJKDBSA-N 2 1 334.508 3.035 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C[C@H]1CC[NH+]1Cc1ccsc1 ZINC001235338194 1376868393 /nfs/dbraw/zinc/86/83/93/1376868393.db2.gz VKDSEXRKWQDILT-ZWKOTPCHSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C[C@H]1CC[NH+]1Cc1ccsc1 ZINC001235338194 1376868400 /nfs/dbraw/zinc/86/84/00/1376868400.db2.gz VKDSEXRKWQDILT-ZWKOTPCHSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccsc1 ZINC001235338194 1376868408 /nfs/dbraw/zinc/86/84/08/1376868408.db2.gz VKDSEXRKWQDILT-ZWKOTPCHSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccsc1 ZINC001235338194 1376868413 /nfs/dbraw/zinc/86/84/13/1376868413.db2.gz VKDSEXRKWQDILT-ZWKOTPCHSA-N 2 1 349.544 3.044 20 0 EGADMP Cc1cc(Br)cc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c1F ZINC001235339104 1376868732 /nfs/dbraw/zinc/86/87/32/1376868732.db2.gz HOMMIYMTQDTSDV-UHFFFAOYSA-N 2 1 341.268 3.328 20 0 EGADMP CN(C[C@@H]1CC[N@@H+]1CCCC(C)(C)C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001235338108 1376868800 /nfs/dbraw/zinc/86/88/00/1376868800.db2.gz UNIMNYNKSWCGEA-DLBZAZTESA-N 2 1 346.519 3.120 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCCC(C)(C)C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001235338108 1376868803 /nfs/dbraw/zinc/86/88/03/1376868803.db2.gz UNIMNYNKSWCGEA-DLBZAZTESA-N 2 1 346.519 3.120 20 0 EGADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(CC[C@H]2CCCC[NH2+]2)C3)c1 ZINC001235630278 1376879665 /nfs/dbraw/zinc/87/96/65/1376879665.db2.gz XLMOQCVKUUHOEH-RTWAWAEBSA-N 2 1 345.506 3.398 20 0 EGADMP COCC[N@H+](Cc1ccc(C(F)(F)F)cc1C)C1CC[NH2+]CC1 ZINC001235945859 1376921370 /nfs/dbraw/zinc/92/13/70/1376921370.db2.gz XSYUZLSPRJGVCP-UHFFFAOYSA-N 2 1 330.394 3.214 20 0 EGADMP COCC[N@@H+](Cc1ccc(C(F)(F)F)cc1C)C1CC[NH2+]CC1 ZINC001235945859 1376921374 /nfs/dbraw/zinc/92/13/74/1376921374.db2.gz XSYUZLSPRJGVCP-UHFFFAOYSA-N 2 1 330.394 3.214 20 0 EGADMP CCN(C[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235947332 1376921902 /nfs/dbraw/zinc/92/19/02/1376921902.db2.gz ACAKRSMHLQPHHG-XZOQPEGZSA-N 2 1 349.522 3.297 20 0 EGADMP COCC[N@@H+](CCCc1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235946658 1376922472 /nfs/dbraw/zinc/92/24/72/1376922472.db2.gz OOEAEHRBUKHKQZ-UHFFFAOYSA-N 2 1 344.421 3.338 20 0 EGADMP CCN(C[C@H]([NH3+])Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235947604 1376923059 /nfs/dbraw/zinc/92/30/59/1376923059.db2.gz DMYZMKIRESHVIX-YADHBBJMSA-N 2 1 337.511 3.153 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001236253300 1376945587 /nfs/dbraw/zinc/94/55/87/1376945587.db2.gz LRCDJURBAWJWSL-QFIPXVFZSA-N 2 1 335.495 3.386 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](CC3CCCCC3)C[C@H]21)CC(C)(C)C ZINC001189167336 1388472040 /nfs/dbraw/zinc/47/20/40/1388472040.db2.gz IUMPGIRESCHQOD-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21)CC(C)(C)C ZINC001189167336 1388472045 /nfs/dbraw/zinc/47/20/45/1388472045.db2.gz IUMPGIRESCHQOD-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21)CC(C)(C)C ZINC001189167336 1388472047 /nfs/dbraw/zinc/47/20/47/1388472047.db2.gz IUMPGIRESCHQOD-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+](Cc1cccc(Cl)c1C(=O)OCC)C[C@@H]1CC[NH2+]C1 ZINC001236844119 1376967051 /nfs/dbraw/zinc/96/70/51/1376967051.db2.gz SWXMCUXLETWUTG-CQSZACIVSA-N 2 1 338.879 3.338 20 0 EGADMP CCC[N@H+](Cc1cccc(Cl)c1C(=O)OCC)C[C@@H]1CC[NH2+]C1 ZINC001236844119 1376967057 /nfs/dbraw/zinc/96/70/57/1376967057.db2.gz SWXMCUXLETWUTG-CQSZACIVSA-N 2 1 338.879 3.338 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c2c(OC)cccc12 ZINC001237058489 1376973708 /nfs/dbraw/zinc/97/37/08/1376973708.db2.gz QCAFYMNOIXHPIR-FQEVSTJZSA-N 2 1 328.456 3.418 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c2c(OC)cccc12 ZINC001237058494 1376974199 /nfs/dbraw/zinc/97/41/99/1376974199.db2.gz QCAFYMNOIXHPIR-HXUWFJFHSA-N 2 1 328.456 3.418 20 0 EGADMP Fc1ccc(C(F)(F)F)cc1[C@H]1CCC[N@H+]1CC[C@@H]1C[NH2+]CCO1 ZINC001237058355 1376974262 /nfs/dbraw/zinc/97/42/62/1376974262.db2.gz ZTKZICYNNNDWGS-CZUORRHYSA-N 2 1 346.368 3.360 20 0 EGADMP CCCC[C@H]1C[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCCC(C)C)CC[NH2+]1 ZINC001246291478 1377050799 /nfs/dbraw/zinc/05/07/99/1377050799.db2.gz HBOQSOANQAXFAJ-OTWHNJEPSA-N 2 1 339.568 3.464 20 0 EGADMP CC(C)CCNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246296564 1377051196 /nfs/dbraw/zinc/05/11/96/1377051196.db2.gz SANWSTJAQBWMQZ-FGTMMUONSA-N 2 1 339.568 3.320 20 0 EGADMP c1ccc(OC[C@@]23CCC[C@@H]2C[N@H+](C2CCC4(C[NH2+]C4)CC2)C3)nc1 ZINC001246728668 1377053572 /nfs/dbraw/zinc/05/35/72/1377053572.db2.gz UECAJRAHNXAAFG-UTKZUKDTSA-N 2 1 341.499 3.095 20 0 EGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246724980 1377053576 /nfs/dbraw/zinc/05/35/76/1377053576.db2.gz NOKDUCAJICKCRR-JKBKZWBZSA-N 2 1 343.515 3.339 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001246937396 1377055821 /nfs/dbraw/zinc/05/58/21/1377055821.db2.gz MBFZQDFDEUVBAY-ZIFCJYIRSA-N 2 1 336.520 3.353 20 0 EGADMP C[NH+](C)C1CCC([N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246938700 1377056219 /nfs/dbraw/zinc/05/62/19/1377056219.db2.gz SKXNUYGTXNZYRP-SOAGJPPSSA-N 3 1 333.495 3.253 20 0 EGADMP C[NH+](C)C1CCC([N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246938700 1377056223 /nfs/dbraw/zinc/05/62/23/1377056223.db2.gz SKXNUYGTXNZYRP-SOAGJPPSSA-N 3 1 333.495 3.253 20 0 EGADMP C[N@H+]1CCC[C@H](N2CCC([NH3+])(Cc3ccccc3Cl)CC2)CC1 ZINC001254511102 1377105521 /nfs/dbraw/zinc/10/55/21/1377105521.db2.gz VNBBWHQRFCOXFM-KRWDZBQOSA-N 2 1 335.923 3.160 20 0 EGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cncn2Cc2ccccc2Cl)CC1 ZINC001254511461 1377105921 /nfs/dbraw/zinc/10/59/21/1377105921.db2.gz ACOIJSYPZPUHMT-MRXNPFEDSA-N 2 1 332.879 3.159 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cncn2Cc2ccccc2Cl)CC1 ZINC001254511461 1377105922 /nfs/dbraw/zinc/10/59/22/1377105922.db2.gz ACOIJSYPZPUHMT-MRXNPFEDSA-N 2 1 332.879 3.159 20 0 EGADMP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254528765 1377107047 /nfs/dbraw/zinc/10/70/47/1377107047.db2.gz HYQANNLRRVIQRK-IAGOWNOFSA-N 2 1 339.524 3.192 20 0 EGADMP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254528765 1377107051 /nfs/dbraw/zinc/10/70/51/1377107051.db2.gz HYQANNLRRVIQRK-IAGOWNOFSA-N 2 1 339.524 3.192 20 0 EGADMP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254528765 1377107054 /nfs/dbraw/zinc/10/70/54/1377107054.db2.gz HYQANNLRRVIQRK-IAGOWNOFSA-N 2 1 339.524 3.192 20 0 EGADMP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254528765 1377107055 /nfs/dbraw/zinc/10/70/55/1377107055.db2.gz HYQANNLRRVIQRK-IAGOWNOFSA-N 2 1 339.524 3.192 20 0 EGADMP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477267 1377111546 /nfs/dbraw/zinc/11/15/46/1377111546.db2.gz UIDVBCFYOYITSI-DLBZAZTESA-N 2 1 325.541 3.172 20 0 EGADMP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001135478092 1377111827 /nfs/dbraw/zinc/11/18/27/1377111827.db2.gz YXLFJNRVFJCTSO-QZTJIDSGSA-N 2 1 347.547 3.346 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1=CCCCC1 ZINC001135680340 1377182116 /nfs/dbraw/zinc/18/21/16/1377182116.db2.gz UVLUTLQTCHOPPY-IRXDYDNUSA-N 2 1 346.519 3.345 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1sccc1Cl ZINC001135858102 1377237031 /nfs/dbraw/zinc/23/70/31/1377237031.db2.gz SKQRDRAOGCDZTD-STQMWFEESA-N 2 1 345.940 3.116 20 0 EGADMP CCc1ccccc1CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001135860938 1377238186 /nfs/dbraw/zinc/23/81/86/1377238186.db2.gz JTECBGKQHGIKAJ-MSOLQXFVSA-N 2 1 347.547 3.006 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135861656 1377238573 /nfs/dbraw/zinc/23/85/73/1377238573.db2.gz VCPXUNMGQLVXKB-ROUUACIJSA-N 2 1 333.520 3.018 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC/C=C/c1ccccc1 ZINC001135861936 1377238585 /nfs/dbraw/zinc/23/85/85/1377238585.db2.gz ZGMVORFQTFANII-OBIQQPLYSA-N 2 1 345.531 3.305 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001327297733 1388487825 /nfs/dbraw/zinc/48/78/25/1388487825.db2.gz BHSZAYMBIQNJKJ-VQTJNVASSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135974474 1377283883 /nfs/dbraw/zinc/28/38/83/1377283883.db2.gz PTYKKYWOEDNLHE-RTBURBONSA-N 2 1 347.547 3.408 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001135980274 1377285666 /nfs/dbraw/zinc/28/56/66/1377285666.db2.gz MOVADUUYJGBBFN-IAGOWNOFSA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001135995629 1377292123 /nfs/dbraw/zinc/29/21/23/1377292123.db2.gz IRYWLPTYNLOBAZ-JKSUJKDBSA-N 2 1 325.541 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC1CCC1 ZINC001135997191 1377293279 /nfs/dbraw/zinc/29/32/79/1377293279.db2.gz ZTDQOWNTIIYCBP-SJORKVTESA-N 2 1 325.541 3.172 20 0 EGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001136602012 1377408101 /nfs/dbraw/zinc/40/81/01/1377408101.db2.gz RBUMIYGUGXMTPN-UHFFFAOYSA-N 2 1 333.520 3.075 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001267089897 1377411645 /nfs/dbraw/zinc/41/16/45/1377411645.db2.gz GSJYORJHHGAXPC-VQTJNVASSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001267563687 1377457960 /nfs/dbraw/zinc/45/79/60/1377457960.db2.gz CYYZSQXFABESCA-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP Cc1csc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001137156085 1377488293 /nfs/dbraw/zinc/48/82/93/1377488293.db2.gz SJYSXEYDJRHLFY-MSOLQXFVSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1csc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001137156085 1377488295 /nfs/dbraw/zinc/48/82/95/1377488295.db2.gz SJYSXEYDJRHLFY-MSOLQXFVSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1csc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001137156085 1377488298 /nfs/dbraw/zinc/48/82/98/1377488298.db2.gz SJYSXEYDJRHLFY-MSOLQXFVSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1csc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001137156085 1377488301 /nfs/dbraw/zinc/48/83/01/1377488301.db2.gz SJYSXEYDJRHLFY-MSOLQXFVSA-N 2 1 327.497 3.405 20 0 EGADMP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC001137629581 1377575835 /nfs/dbraw/zinc/57/58/35/1377575835.db2.gz WBZBVMAZEALUIT-UHFFFAOYSA-N 2 1 339.483 3.310 20 0 EGADMP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC001137629581 1377575838 /nfs/dbraw/zinc/57/58/38/1377575838.db2.gz WBZBVMAZEALUIT-UHFFFAOYSA-N 2 1 339.483 3.310 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(-n3cccn3)cc2)CC1 ZINC001137758030 1377610152 /nfs/dbraw/zinc/61/01/52/1377610152.db2.gz CXMOMZASWWKDGZ-UHFFFAOYSA-N 2 1 326.488 3.425 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001272020358 1377654691 /nfs/dbraw/zinc/65/46/91/1377654691.db2.gz KNHYJBAFHRNDKZ-GOSISDBHSA-N 2 1 345.531 3.402 20 0 EGADMP C[C@H](C(=O)Nc1cccc2c1C[NH+](C1CC1)C2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001137992904 1377660754 /nfs/dbraw/zinc/66/07/54/1377660754.db2.gz TVZPCNPYGJOUEU-QLFBSQMISA-N 2 1 327.472 3.364 20 0 EGADMP C[C@H](C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2)[NH+]1[C@H](C)CC[C@@H]1C ZINC001137992904 1377660756 /nfs/dbraw/zinc/66/07/56/1377660756.db2.gz TVZPCNPYGJOUEU-QLFBSQMISA-N 2 1 327.472 3.364 20 0 EGADMP C[C@H](C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2)[NH+]1[C@H](C)CC[C@@H]1C ZINC001137992904 1377660757 /nfs/dbraw/zinc/66/07/57/1377660757.db2.gz TVZPCNPYGJOUEU-QLFBSQMISA-N 2 1 327.472 3.364 20 0 EGADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC001138449633 1377725881 /nfs/dbraw/zinc/72/58/81/1377725881.db2.gz KDMUZAGBLVBQAM-UHFFFAOYSA-N 2 1 347.466 3.411 20 0 EGADMP CCOC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138545468 1377739371 /nfs/dbraw/zinc/73/93/71/1377739371.db2.gz XTBOOWLXHBERJQ-SFHVURJKSA-N 2 1 341.455 3.346 20 0 EGADMP CCOC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138545468 1377739375 /nfs/dbraw/zinc/73/93/75/1377739375.db2.gz XTBOOWLXHBERJQ-SFHVURJKSA-N 2 1 341.455 3.346 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cnc5[nH]ccc5c4)C[C@@H]3C2)cc1 ZINC001138744932 1377779373 /nfs/dbraw/zinc/77/93/73/1377779373.db2.gz ZCDJCCRVZSMVGT-SFTDATJTSA-N 2 1 346.478 3.435 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C2CCC2)C2CCOCC2)cc1 ZINC001138773919 1377782325 /nfs/dbraw/zinc/78/23/25/1377782325.db2.gz SJOYZLDABRAMAX-UHFFFAOYSA-N 2 1 332.488 3.161 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)cc1 ZINC001138774118 1377782374 /nfs/dbraw/zinc/78/23/74/1377782374.db2.gz ZBOPPTDDOYTQAB-HXUWFJFHSA-N 2 1 340.467 3.063 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC001138824515 1377792653 /nfs/dbraw/zinc/79/26/53/1377792653.db2.gz LXNRJQFHJFEFNX-UHFFFAOYSA-N 2 1 329.488 3.282 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)nn1C ZINC001138828251 1377793004 /nfs/dbraw/zinc/79/30/04/1377793004.db2.gz UAFUNYSFEMVDEY-IBGZPJMESA-N 2 1 342.487 3.198 20 0 EGADMP CCCn1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139041577 1377821372 /nfs/dbraw/zinc/82/13/72/1377821372.db2.gz LKLNNWWDUSNEDD-NHCUHLMSSA-N 2 1 338.499 3.247 20 0 EGADMP Cc1n[nH]c(C)c1C[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001139095781 1377828410 /nfs/dbraw/zinc/82/84/10/1377828410.db2.gz CAVXHWQAWXWGQO-LJQANCHMSA-N 2 1 342.487 3.496 20 0 EGADMP CC[N@@H+](Cc1cnc(N2CCN(C)CC2)s1)Cc1ccc(C)cc1 ZINC001139325735 1377868852 /nfs/dbraw/zinc/86/88/52/1377868852.db2.gz YDTOMFGMXASLJS-UHFFFAOYSA-N 2 1 344.528 3.225 20 0 EGADMP C[N@@H+](CC(=O)Nc1ccccc1Nc1cc[nH+]cc1)CC(C)(C)C ZINC001139690542 1377935241 /nfs/dbraw/zinc/93/52/41/1377935241.db2.gz IAMPDVYYXYHUHE-UHFFFAOYSA-N 2 1 326.444 3.164 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(Cc3c[nH]c4cccc(Br)c34)C[C@@H]2C1 ZINC001139963228 1377984651 /nfs/dbraw/zinc/98/46/51/1377984651.db2.gz UXUXJHLALLDVRB-OCCSQVGLSA-N 2 1 348.288 3.314 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3c[nH]c4cccc(Br)c34)C[C@@H]2C1 ZINC001139963228 1377984656 /nfs/dbraw/zinc/98/46/56/1377984656.db2.gz UXUXJHLALLDVRB-OCCSQVGLSA-N 2 1 348.288 3.314 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c[nH]c4cccc(Br)c34)C[C@@H]2C1 ZINC001139963228 1377984660 /nfs/dbraw/zinc/98/46/60/1377984660.db2.gz UXUXJHLALLDVRB-OCCSQVGLSA-N 2 1 348.288 3.314 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c[nH]c4cccc(Br)c34)C[C@@H]2C1 ZINC001139963228 1377984661 /nfs/dbraw/zinc/98/46/61/1377984661.db2.gz UXUXJHLALLDVRB-OCCSQVGLSA-N 2 1 348.288 3.314 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c[nH]c4cccc(Br)c34)C[C@@H]2C1 ZINC001139963228 1377984665 /nfs/dbraw/zinc/98/46/65/1377984665.db2.gz UXUXJHLALLDVRB-OCCSQVGLSA-N 2 1 348.288 3.314 20 0 EGADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccnnc3)C[C@H]21 ZINC001139982542 1377986987 /nfs/dbraw/zinc/98/69/87/1377986987.db2.gz SFILVJOLPJKIFK-QXAKKESOSA-N 2 1 342.512 3.271 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccnnc3)C[C@H]21 ZINC001139982542 1377986990 /nfs/dbraw/zinc/98/69/90/1377986990.db2.gz SFILVJOLPJKIFK-QXAKKESOSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccnnc3)C[C@H]21 ZINC001139982542 1377986991 /nfs/dbraw/zinc/98/69/91/1377986991.db2.gz SFILVJOLPJKIFK-QXAKKESOSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccnnc3)C[C@H]21 ZINC001139982542 1377986995 /nfs/dbraw/zinc/98/69/95/1377986995.db2.gz SFILVJOLPJKIFK-QXAKKESOSA-N 2 1 342.512 3.271 20 0 EGADMP CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1-n1cc[nH+]c1C ZINC001140027826 1377992679 /nfs/dbraw/zinc/99/26/79/1377992679.db2.gz CDXYLYMVONTYJS-IBGZPJMESA-N 2 1 340.471 3.061 20 0 EGADMP CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1-n1cc[nH+]c1C ZINC001140027826 1377992682 /nfs/dbraw/zinc/99/26/82/1377992682.db2.gz CDXYLYMVONTYJS-IBGZPJMESA-N 2 1 340.471 3.061 20 0 EGADMP Fc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001140132900 1378015241 /nfs/dbraw/zinc/01/52/41/1378015241.db2.gz VERWVTVTUOMXOU-UHFFFAOYSA-N 2 1 340.446 3.104 20 0 EGADMP Cn1cnc2cc(C[N@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)ccc21 ZINC001140508580 1378075812 /nfs/dbraw/zinc/07/58/12/1378075812.db2.gz GXXZXMCAZAULCI-ROUUACIJSA-N 2 1 326.488 3.412 20 0 EGADMP Cn1cnc2cc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)ccc21 ZINC001140508580 1378075813 /nfs/dbraw/zinc/07/58/13/1378075813.db2.gz GXXZXMCAZAULCI-ROUUACIJSA-N 2 1 326.488 3.412 20 0 EGADMP Cn1cnc2cc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@H+]3C)ccc21 ZINC001140508580 1378075814 /nfs/dbraw/zinc/07/58/14/1378075814.db2.gz GXXZXMCAZAULCI-ROUUACIJSA-N 2 1 326.488 3.412 20 0 EGADMP CC/C=C\CCCCC[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273134758 1378090191 /nfs/dbraw/zinc/09/01/91/1378090191.db2.gz KRPXESLAQPFECJ-KKHYBRAUSA-N 2 1 335.536 3.142 20 0 EGADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140806443 1378146987 /nfs/dbraw/zinc/14/69/87/1378146987.db2.gz HTSMIGNNVFAMFL-CQSZACIVSA-N 2 1 344.459 3.252 20 0 EGADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140806443 1378146992 /nfs/dbraw/zinc/14/69/92/1378146992.db2.gz HTSMIGNNVFAMFL-CQSZACIVSA-N 2 1 344.459 3.252 20 0 EGADMP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001275634290 1378149314 /nfs/dbraw/zinc/14/93/14/1378149314.db2.gz ONWJWFWDFUOBQW-HXUWFJFHSA-N 2 1 349.950 3.498 20 0 EGADMP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@@H+](C)CCCC1CCC1 ZINC001275827813 1378159171 /nfs/dbraw/zinc/15/91/71/1378159171.db2.gz MZMFHHHEJLLMEF-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CCn1ccnc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccsc3)C[C@H]2CC1 ZINC001275867003 1378159944 /nfs/dbraw/zinc/15/99/44/1378159944.db2.gz WSFZPXOIYKFFID-HDICACEKSA-N 2 1 344.528 3.309 20 0 EGADMP CCn1ccnc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccsc3)C[C@H]2CC1 ZINC001275867003 1378159954 /nfs/dbraw/zinc/15/99/54/1378159954.db2.gz WSFZPXOIYKFFID-HDICACEKSA-N 2 1 344.528 3.309 20 0 EGADMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]2CC1 ZINC001275867003 1378159959 /nfs/dbraw/zinc/15/99/59/1378159959.db2.gz WSFZPXOIYKFFID-HDICACEKSA-N 2 1 344.528 3.309 20 0 EGADMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccsc3)C[C@H]2CC1 ZINC001275867003 1378159962 /nfs/dbraw/zinc/15/99/62/1378159962.db2.gz WSFZPXOIYKFFID-HDICACEKSA-N 2 1 344.528 3.309 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001276162984 1378168857 /nfs/dbraw/zinc/16/88/57/1378168857.db2.gz QGTAEEXWNBFCJQ-UHFFFAOYSA-N 2 1 338.499 3.407 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@H]3CCCCN3Cc3ccccc3)C[C@H]2CC1 ZINC001276492529 1378175729 /nfs/dbraw/zinc/17/57/29/1378175729.db2.gz VXHVIWVCSNIKQZ-BHIFYINESA-N 2 1 341.543 3.315 20 0 EGADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@H]3CCCCN3Cc3ccccc3)C[C@H]2CC1 ZINC001276492529 1378175731 /nfs/dbraw/zinc/17/57/31/1378175731.db2.gz VXHVIWVCSNIKQZ-BHIFYINESA-N 2 1 341.543 3.315 20 0 EGADMP C[NH+]1CC[C@H]2C[N@H+](C[C@H]3CCCCN3Cc3ccccc3)C[C@H]2CC1 ZINC001276492529 1378175733 /nfs/dbraw/zinc/17/57/33/1378175733.db2.gz VXHVIWVCSNIKQZ-BHIFYINESA-N 2 1 341.543 3.315 20 0 EGADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(Br)c(O)c1)CC2 ZINC001276776956 1378187653 /nfs/dbraw/zinc/18/76/53/1378187653.db2.gz IXHGKCCUDSFAGL-UHFFFAOYSA-N 2 1 339.277 3.072 20 0 EGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(Br)c(O)c1)CC2 ZINC001276776956 1378187659 /nfs/dbraw/zinc/18/76/59/1378187659.db2.gz IXHGKCCUDSFAGL-UHFFFAOYSA-N 2 1 339.277 3.072 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001278450660 1378272004 /nfs/dbraw/zinc/27/20/04/1378272004.db2.gz RTKWSPIEPQVTLT-QUCCMNQESA-N 2 1 337.552 3.125 20 0 EGADMP COc1cc(C(F)(F)F)ccc1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001141611679 1378350861 /nfs/dbraw/zinc/35/08/61/1378350861.db2.gz HNUYOZLLIFHNJN-INIZCTEOSA-N 2 1 328.378 3.242 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccc3nn(C)cc32)CC1 ZINC001142452470 1378444128 /nfs/dbraw/zinc/44/41/28/1378444128.db2.gz JUHGXRKJIAIVLB-UHFFFAOYSA-N 2 1 335.455 3.016 20 0 EGADMP C[N@H+]1CC[C@]2(CCN(Cc3ccc(F)c(OC(F)(F)F)c3)C2)C1 ZINC001143447004 1378597537 /nfs/dbraw/zinc/59/75/37/1378597537.db2.gz NFCKIUXNPSXHRS-HNNXBMFYSA-N 2 1 332.341 3.252 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001143838515 1378651740 /nfs/dbraw/zinc/65/17/40/1378651740.db2.gz LJIWWOJSEXTVCI-MJGOQNOKSA-N 2 1 345.531 3.352 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cc1[nH+]cn2ccccc12 ZINC001144627400 1378753173 /nfs/dbraw/zinc/75/31/73/1378753173.db2.gz NBDLILXTZKVKLO-QZTJIDSGSA-N 2 1 334.467 3.429 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1Cc1[nH+]cn2ccccc12 ZINC001144627400 1378753174 /nfs/dbraw/zinc/75/31/74/1378753174.db2.gz NBDLILXTZKVKLO-QZTJIDSGSA-N 2 1 334.467 3.429 20 0 EGADMP C[N@@H+](CCCC1CCC1)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001283317773 1378802456 /nfs/dbraw/zinc/80/24/56/1378802456.db2.gz SIWNZVGCGPUKFI-UHFFFAOYSA-N 2 1 347.547 3.118 20 0 EGADMP CCc1ccccc1CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146593825 1378873678 /nfs/dbraw/zinc/87/36/78/1378873678.db2.gz QLTLEJQRPXSPSB-MSOLQXFVSA-N 2 1 347.547 3.005 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CCCC(C)(C)C)C3)CC[N@H+]1C ZINC001147582668 1379045884 /nfs/dbraw/zinc/04/58/84/1379045884.db2.gz BJNYTTJOURREQY-ZWKOTPCHSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+](CCCC(C)(C)C)C3)CC[NH+]1C ZINC001147582668 1379045886 /nfs/dbraw/zinc/04/58/86/1379045886.db2.gz BJNYTTJOURREQY-ZWKOTPCHSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CCCC(C)(C)C)C3)CC[NH+]1C ZINC001147582668 1379045887 /nfs/dbraw/zinc/04/58/87/1379045887.db2.gz BJNYTTJOURREQY-ZWKOTPCHSA-N 2 1 349.563 3.077 20 0 EGADMP CC/C=C\CC[N@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147985932 1379103351 /nfs/dbraw/zinc/10/33/51/1379103351.db2.gz LLQSUTXCIKAPDU-WAYWQWQTSA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001283691202 1379120398 /nfs/dbraw/zinc/12/03/98/1379120398.db2.gz AQRZKZOMCGUJCD-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CC(C)CCC[N@H+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148390056 1379162548 /nfs/dbraw/zinc/16/25/48/1379162548.db2.gz ARCKSWULEYIEPC-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148458401 1379175927 /nfs/dbraw/zinc/17/59/27/1379175927.db2.gz PRFNBDDJCWNPNC-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@@H+](CC[C@H]1CCC[C@H](C)C1)C2 ZINC001148469776 1379179362 /nfs/dbraw/zinc/17/93/62/1379179362.db2.gz UYGKKYLAKSDFHJ-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001148577892 1379216200 /nfs/dbraw/zinc/21/62/00/1379216200.db2.gz IFJAXRBDJLTOMO-KRWDZBQOSA-N 2 1 341.499 3.339 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC[C@H]1CCC[C@@H](C)C1)C2 ZINC001148652176 1379234292 /nfs/dbraw/zinc/23/42/92/1379234292.db2.gz YGETXGYULPGZCI-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CC[C@H]1CCC[C@@H](C)C1)C2 ZINC001148652176 1379234295 /nfs/dbraw/zinc/23/42/95/1379234295.db2.gz YGETXGYULPGZCI-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CC[C@H]1CCC[C@@H](C)C1)C2 ZINC001148652176 1379234296 /nfs/dbraw/zinc/23/42/96/1379234296.db2.gz YGETXGYULPGZCI-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001148833854 1379280078 /nfs/dbraw/zinc/28/00/78/1379280078.db2.gz NZUQGNHLJVSCFH-RURPWVQCSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001148833854 1379280080 /nfs/dbraw/zinc/28/00/80/1379280080.db2.gz NZUQGNHLJVSCFH-RURPWVQCSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001148833854 1379280085 /nfs/dbraw/zinc/28/00/85/1379280085.db2.gz NZUQGNHLJVSCFH-RURPWVQCSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CCC[N@H+]1Cc1ccccc1 ZINC001284130833 1379512274 /nfs/dbraw/zinc/51/22/74/1379512274.db2.gz IQWNIMQNAAUNAS-IEBWSBKVSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CCC[NH+]1Cc1ccccc1 ZINC001284130833 1379512277 /nfs/dbraw/zinc/51/22/77/1379512277.db2.gz IQWNIMQNAAUNAS-IEBWSBKVSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CCC[NH+]1Cc1ccccc1 ZINC001284130833 1379512278 /nfs/dbraw/zinc/51/22/78/1379512278.db2.gz IQWNIMQNAAUNAS-IEBWSBKVSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CCC[N@H+]1Cc1ccccc1 ZINC001284130840 1379512303 /nfs/dbraw/zinc/51/23/03/1379512303.db2.gz IQWNIMQNAAUNAS-PKOBYXMFSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CCC[NH+]1Cc1ccccc1 ZINC001284130840 1379512304 /nfs/dbraw/zinc/51/23/04/1379512304.db2.gz IQWNIMQNAAUNAS-PKOBYXMFSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CCC[NH+]1Cc1ccccc1 ZINC001284130840 1379512310 /nfs/dbraw/zinc/51/23/10/1379512310.db2.gz IQWNIMQNAAUNAS-PKOBYXMFSA-N 2 1 345.531 3.134 20 0 EGADMP CC[N@@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153823817 1380137727 /nfs/dbraw/zinc/13/77/27/1380137727.db2.gz AIVGROJIAZEJSC-APWZRJJASA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854561 1380144492 /nfs/dbraw/zinc/14/44/92/1380144492.db2.gz IRSSFCVQUSUFKG-GOSISDBHSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153854561 1380144494 /nfs/dbraw/zinc/14/44/94/1380144494.db2.gz IRSSFCVQUSUFKG-GOSISDBHSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153854561 1380144495 /nfs/dbraw/zinc/14/44/95/1380144495.db2.gz IRSSFCVQUSUFKG-GOSISDBHSA-N 2 1 345.531 3.114 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153880119 1380148955 /nfs/dbraw/zinc/14/89/55/1380148955.db2.gz ZBOWAQAGIYAMHA-AEFFLSMTSA-N 2 1 325.541 3.124 20 0 EGADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153880119 1380148956 /nfs/dbraw/zinc/14/89/56/1380148956.db2.gz ZBOWAQAGIYAMHA-AEFFLSMTSA-N 2 1 325.541 3.124 20 0 EGADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153880119 1380148959 /nfs/dbraw/zinc/14/89/59/1380148959.db2.gz ZBOWAQAGIYAMHA-AEFFLSMTSA-N 2 1 325.541 3.124 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154348236 1380261324 /nfs/dbraw/zinc/26/13/24/1380261324.db2.gz WWIBVYLFPNBSPX-MWWKQMNYSA-N 2 1 328.460 3.131 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455179 1380281104 /nfs/dbraw/zinc/28/11/04/1380281104.db2.gz IZBPXTZVVCQWEU-VQIMIIECSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@@H+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155227127 1380426651 /nfs/dbraw/zinc/42/66/51/1380426651.db2.gz VBSIDRYXAGNDPY-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155227127 1380426652 /nfs/dbraw/zinc/42/66/52/1380426652.db2.gz VBSIDRYXAGNDPY-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155227127 1380426653 /nfs/dbraw/zinc/42/66/53/1380426653.db2.gz VBSIDRYXAGNDPY-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155262838 1380430175 /nfs/dbraw/zinc/43/01/75/1380430175.db2.gz INMUBZLEUXZQGZ-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCC1CCCC1)[C@H](C)CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001155262838 1380430176 /nfs/dbraw/zinc/43/01/76/1380430176.db2.gz INMUBZLEUXZQGZ-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCC1CCCC1)[C@H](C)CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001155262838 1380430177 /nfs/dbraw/zinc/43/01/77/1380430177.db2.gz INMUBZLEUXZQGZ-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1ccc2c(C)cc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)[nH+]c2c1C ZINC001155526170 1380464636 /nfs/dbraw/zinc/46/46/36/1380464636.db2.gz PMMNPDRASHSHNV-NXHRZFHOSA-N 2 1 325.456 3.196 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1)C(C)C ZINC001155883761 1380502416 /nfs/dbraw/zinc/50/24/16/1380502416.db2.gz GATSYNAOKPVSDZ-QUCCMNQESA-N 2 1 347.547 3.380 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC1CC1 ZINC001156306015 1380555339 /nfs/dbraw/zinc/55/53/39/1380555339.db2.gz JLTUYLGZGCDNLH-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCC1CC1 ZINC001156306015 1380555342 /nfs/dbraw/zinc/55/53/42/1380555342.db2.gz JLTUYLGZGCDNLH-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCC1CC1 ZINC001156306015 1380555345 /nfs/dbraw/zinc/55/53/45/1380555345.db2.gz JLTUYLGZGCDNLH-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001156341971 1380561612 /nfs/dbraw/zinc/56/16/12/1380561612.db2.gz PJDHVBUSPFVDGE-NQIIRXRSSA-N 2 1 347.547 3.480 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475447 1380581255 /nfs/dbraw/zinc/58/12/55/1380581255.db2.gz GGIWTBVTIVHMNV-LJQANCHMSA-N 2 1 347.547 3.362 20 0 EGADMP C[N@@H+](Cc1ccc(-n2cncc2C[NH2+]Cc2ccccc2)nc1)C1CC1 ZINC001156509389 1380586252 /nfs/dbraw/zinc/58/62/52/1380586252.db2.gz UJTAVIZYIQQGDW-UHFFFAOYSA-N 2 1 347.466 3.151 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)CCc1ccc(C)cc1 ZINC001156517111 1380587052 /nfs/dbraw/zinc/58/70/52/1380587052.db2.gz MHBNKEMQMVHAEJ-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CCc1ccc(C)cc1 ZINC001156517111 1380587054 /nfs/dbraw/zinc/58/70/54/1380587054.db2.gz MHBNKEMQMVHAEJ-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CCc1ccc(C)cc1 ZINC001156517111 1380587056 /nfs/dbraw/zinc/58/70/56/1380587056.db2.gz MHBNKEMQMVHAEJ-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C)cc1C ZINC001156516971 1380587374 /nfs/dbraw/zinc/58/73/74/1380587374.db2.gz KXDQPYMQPYGFQD-LJQANCHMSA-N 2 1 347.547 3.362 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C)cc1C ZINC001156516971 1380587377 /nfs/dbraw/zinc/58/73/77/1380587377.db2.gz KXDQPYMQPYGFQD-LJQANCHMSA-N 2 1 347.547 3.362 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C)cc1C ZINC001156516971 1380587378 /nfs/dbraw/zinc/58/73/78/1380587378.db2.gz KXDQPYMQPYGFQD-LJQANCHMSA-N 2 1 347.547 3.362 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CCCc1ccc(C)cc1 ZINC001156529559 1380588691 /nfs/dbraw/zinc/58/86/91/1380588691.db2.gz FBBHWFADYBMHQP-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CCCc1ccc(C)cc1 ZINC001156529559 1380588693 /nfs/dbraw/zinc/58/86/93/1380588693.db2.gz FBBHWFADYBMHQP-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP CC[C@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156961316 1380738229 /nfs/dbraw/zinc/73/82/29/1380738229.db2.gz MJAIDGFESLSDCW-ZWKOTPCHSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157108980 1380776985 /nfs/dbraw/zinc/77/69/85/1380776985.db2.gz FLIIMGPWONSUNF-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001157108980 1380776989 /nfs/dbraw/zinc/77/69/89/1380776989.db2.gz FLIIMGPWONSUNF-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP COC(=O)c1ccc(-c2ccc(NC3(C)CC[NH2+]CC3)[nH+]c2C)cc1 ZINC001157403821 1380870695 /nfs/dbraw/zinc/87/06/95/1380870695.db2.gz WCDPMQTXIBFCCX-UHFFFAOYSA-N 2 1 339.439 3.398 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H](C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001157439182 1380895654 /nfs/dbraw/zinc/89/56/54/1380895654.db2.gz YWWPRWATVOVJTN-INIZCTEOSA-N 2 1 330.476 3.131 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001157439182 1380895662 /nfs/dbraw/zinc/89/56/62/1380895662.db2.gz YWWPRWATVOVJTN-INIZCTEOSA-N 2 1 330.476 3.131 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CCCC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001157615382 1380982834 /nfs/dbraw/zinc/98/28/34/1380982834.db2.gz JEVVXUIUXPKPDO-UWVAXJGDSA-N 2 1 343.515 3.015 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CCCC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001157615382 1380982841 /nfs/dbraw/zinc/98/28/41/1380982841.db2.gz JEVVXUIUXPKPDO-UWVAXJGDSA-N 2 1 343.515 3.015 20 0 EGADMP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157701645 1381008046 /nfs/dbraw/zinc/00/80/46/1381008046.db2.gz GVUBZIBWWHPCJF-MGBKSAOESA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001157701645 1381008049 /nfs/dbraw/zinc/00/80/49/1381008049.db2.gz GVUBZIBWWHPCJF-MGBKSAOESA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001157701645 1381008053 /nfs/dbraw/zinc/00/80/53/1381008053.db2.gz GVUBZIBWWHPCJF-MGBKSAOESA-N 2 1 335.536 3.140 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001157973909 1381089736 /nfs/dbraw/zinc/08/97/36/1381089736.db2.gz XXCWHZTVWVMRDY-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158228317 1381167363 /nfs/dbraw/zinc/16/73/63/1381167363.db2.gz ZQVPBHVMVZZKNN-GOSISDBHSA-N 2 1 334.508 3.085 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158228317 1381167368 /nfs/dbraw/zinc/16/73/68/1381167368.db2.gz ZQVPBHVMVZZKNN-GOSISDBHSA-N 2 1 334.508 3.085 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH2+]C[C@H](C)CC(C)C ZINC001158355064 1381214748 /nfs/dbraw/zinc/21/47/48/1381214748.db2.gz NCYPISQUFBFGRO-IAGOWNOFSA-N 2 1 336.524 3.175 20 0 EGADMP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCCCC1 ZINC001158449484 1381248986 /nfs/dbraw/zinc/24/89/86/1381248986.db2.gz BCORUTNMHHDMGF-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001158473041 1381258033 /nfs/dbraw/zinc/25/80/33/1381258033.db2.gz JCCQVSCXXAWWHU-KJYWSYJISA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001158473041 1381258040 /nfs/dbraw/zinc/25/80/40/1381258040.db2.gz JCCQVSCXXAWWHU-KJYWSYJISA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001158473041 1381258046 /nfs/dbraw/zinc/25/80/46/1381258046.db2.gz JCCQVSCXXAWWHU-KJYWSYJISA-N 2 1 349.563 3.388 20 0 EGADMP Cc1ccc(CNc2nc(N3CCC([NH3+])CC3)cc[nH+]2)c2ccccc12 ZINC001158503689 1381271324 /nfs/dbraw/zinc/27/13/24/1381271324.db2.gz CBOGFEQQIKUZBR-UHFFFAOYSA-N 2 1 347.466 3.478 20 0 EGADMP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001158540817 1381288800 /nfs/dbraw/zinc/28/88/00/1381288800.db2.gz LPWVYDZNGJPRJF-GOSISDBHSA-N 2 1 348.535 3.366 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001158540817 1381288808 /nfs/dbraw/zinc/28/88/08/1381288808.db2.gz LPWVYDZNGJPRJF-GOSISDBHSA-N 2 1 348.535 3.366 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](CC)CC ZINC001158616131 1381322211 /nfs/dbraw/zinc/32/22/11/1381322211.db2.gz CVVYTMJWUQFCSL-GOSISDBHSA-N 2 1 325.541 3.221 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cccc(C)c1 ZINC001158616714 1381324035 /nfs/dbraw/zinc/32/40/35/1381324035.db2.gz RQFITGHMIPUYLZ-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001158679552 1381348293 /nfs/dbraw/zinc/34/82/93/1381348293.db2.gz BITVXHFSHQKJNN-HXUWFJFHSA-N 2 1 349.563 3.386 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158750566 1381382268 /nfs/dbraw/zinc/38/22/68/1381382268.db2.gz MTPSLLJXIZKUTB-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001158750566 1381382277 /nfs/dbraw/zinc/38/22/77/1381382277.db2.gz MTPSLLJXIZKUTB-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001158750566 1381382282 /nfs/dbraw/zinc/38/22/82/1381382282.db2.gz MTPSLLJXIZKUTB-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CCC1CCCC1 ZINC001158787175 1381400033 /nfs/dbraw/zinc/40/00/33/1381400033.db2.gz MGHFTKHLHXGNCN-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CCCC1 ZINC001158787175 1381400039 /nfs/dbraw/zinc/40/00/39/1381400039.db2.gz MGHFTKHLHXGNCN-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CCCC1 ZINC001158787175 1381400047 /nfs/dbraw/zinc/40/00/47/1381400047.db2.gz MGHFTKHLHXGNCN-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)CCC[NH+](C)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001755814258 1440922095 /nfs/dbraw/zinc/92/20/95/1440922095.db2.gz VALZLVKQNYXDQL-SFHVURJKSA-N 2 1 325.541 3.076 20 0 EGADMP CC(C)CCC[NH+](C)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001755814258 1440922096 /nfs/dbraw/zinc/92/20/96/1440922096.db2.gz VALZLVKQNYXDQL-SFHVURJKSA-N 2 1 325.541 3.076 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCCC2CCCC2)CC1 ZINC001159629575 1381853782 /nfs/dbraw/zinc/85/37/82/1381853782.db2.gz ZNTVEPLZVZTQOA-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCCC2CCCC2)CC1 ZINC001159629575 1381853786 /nfs/dbraw/zinc/85/37/86/1381853786.db2.gz ZNTVEPLZVZTQOA-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCCC2CCCC2)CC1 ZINC001159629575 1381853792 /nfs/dbraw/zinc/85/37/92/1381853792.db2.gz ZNTVEPLZVZTQOA-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001159907814 1381934601 /nfs/dbraw/zinc/93/46/01/1381934601.db2.gz DCOHSEYQDJDJSP-LJQANCHMSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+][C@H]1CCc2ccccc21 ZINC001159911527 1381935124 /nfs/dbraw/zinc/93/51/24/1381935124.db2.gz ZVDAOOSVQHYZLD-ICSRJNTNSA-N 2 1 343.515 3.033 20 0 EGADMP O=C(NCCC[NH2+]CCC1=CCCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159911493 1381935444 /nfs/dbraw/zinc/93/54/44/1381935444.db2.gz ZAXJGERQSBAHDR-FQEVSTJZSA-N 2 1 347.547 3.380 20 0 EGADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC001159916724 1381936482 /nfs/dbraw/zinc/93/64/82/1381936482.db2.gz RFCBCUPOGBONHU-YLJYHZDGSA-N 2 1 343.515 3.251 20 0 EGADMP FC(F)(F)c1c[nH+]ccc1Nc1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC001159953690 1381948424 /nfs/dbraw/zinc/94/84/24/1381948424.db2.gz OCTBBUNHUKOCNZ-CQSZACIVSA-N 2 1 337.345 3.397 20 0 EGADMP CC[NH2+]Cc1cccc(Nc2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC001159956844 1381949188 /nfs/dbraw/zinc/94/91/88/1381949188.db2.gz SWSNOCJLVNQZGX-UHFFFAOYSA-N 2 1 338.499 3.287 20 0 EGADMP Nc1c(F)cccc1N(CC1CC[NH2+]CC1)c1ccc2[nH]c[nH+]c2c1 ZINC001160082226 1381991954 /nfs/dbraw/zinc/99/19/54/1381991954.db2.gz NOGSVNQXAOZUCL-UHFFFAOYSA-N 2 1 339.418 3.422 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160131300 1382008386 /nfs/dbraw/zinc/00/83/86/1382008386.db2.gz KLOZGLCSNULBGR-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(Nc2nccnc2C[NH3+])nc1 ZINC001160249671 1382048827 /nfs/dbraw/zinc/04/88/27/1382048827.db2.gz BVRQWEPQDAEZAJ-INIZCTEOSA-N 2 1 326.448 3.011 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCCC1=CC[N@@H+](CCCC2CCC2)CC1)C1CC1 ZINC001160359949 1382082492 /nfs/dbraw/zinc/08/24/92/1382082492.db2.gz HDHVIFOIQKSWPI-HXUWFJFHSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160359780 1382083094 /nfs/dbraw/zinc/08/30/94/1382083094.db2.gz ALZPKYDIDXKNPI-HCZHMGAMSA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CCC2CC2)CC1 ZINC001160567654 1382144598 /nfs/dbraw/zinc/14/45/98/1382144598.db2.gz IDFHDKAGOPJALP-HXUWFJFHSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CCC2CC2)CC1 ZINC001160567654 1382144600 /nfs/dbraw/zinc/14/46/00/1382144600.db2.gz IDFHDKAGOPJALP-HXUWFJFHSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001160567654 1382144604 /nfs/dbraw/zinc/14/46/04/1382144604.db2.gz IDFHDKAGOPJALP-HXUWFJFHSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@@H+](CCC(=O)NCCC1=CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC001160778440 1382193659 /nfs/dbraw/zinc/19/36/59/1382193659.db2.gz NOGKCBHWQOICII-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+](CCC(=O)NCCC1=CC[N@H+](CC2CC2)CC1)C1CCCCC1 ZINC001160778440 1382193662 /nfs/dbraw/zinc/19/36/62/1382193662.db2.gz NOGKCBHWQOICII-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+](CCC(=O)NCCC1=CC[N@@H+](CC2CC2)CC1)C1CCCCC1 ZINC001160778440 1382193665 /nfs/dbraw/zinc/19/36/65/1382193665.db2.gz NOGKCBHWQOICII-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001160870004 1382219876 /nfs/dbraw/zinc/21/98/76/1382219876.db2.gz UNIDFRVFDHHDKN-RBUKOAKNSA-N 2 1 335.536 3.070 20 0 EGADMP [NH3+]CCc1cn(C(F)(F)Oc2ccnc(Cl)c2)c2cc[nH+]cc12 ZINC001160951267 1382249499 /nfs/dbraw/zinc/24/94/99/1382249499.db2.gz BZLHDZQUTUZCJM-UHFFFAOYSA-N 2 1 338.745 3.172 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161008339 1382270442 /nfs/dbraw/zinc/27/04/42/1382270442.db2.gz MBXMEJATVIVMQW-HOHWPDKRSA-N 2 1 347.547 3.211 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001161008339 1382270446 /nfs/dbraw/zinc/27/04/46/1382270446.db2.gz MBXMEJATVIVMQW-HOHWPDKRSA-N 2 1 347.547 3.211 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001161008339 1382270448 /nfs/dbraw/zinc/27/04/48/1382270448.db2.gz MBXMEJATVIVMQW-HOHWPDKRSA-N 2 1 347.547 3.211 20 0 EGADMP C[NH+](C)CC1(C(=O)NCCC2=CC[N@@H+](CCC3CCCC3)CC2)CC1 ZINC001161028674 1382276473 /nfs/dbraw/zinc/27/64/73/1382276473.db2.gz IOARZEDBMAJEIF-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001161519110 1382429752 /nfs/dbraw/zinc/42/97/52/1382429752.db2.gz YOCJABBSMAGQNT-KRWDZBQOSA-N 2 1 339.568 3.418 20 0 EGADMP C[C@H]([NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)c1ccccc1 ZINC001161524948 1382430461 /nfs/dbraw/zinc/43/04/61/1382430461.db2.gz PZVCRTVGBIZQLO-KRWDZBQOSA-N 2 1 345.531 3.497 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001161644800 1382468188 /nfs/dbraw/zinc/46/81/88/1382468188.db2.gz STPGVSVTPPZSDY-IBGZPJMESA-N 2 1 349.563 3.173 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001161695150 1382482966 /nfs/dbraw/zinc/48/29/66/1382482966.db2.gz XVQBCJGCOJHGOV-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP COc1cc2[nH+]c(NCCCC[NH+](C)C)ccc2c(OC)c1OC ZINC001161728758 1382490135 /nfs/dbraw/zinc/49/01/35/1382490135.db2.gz UBTHJNUVOOCWJQ-UHFFFAOYSA-N 2 1 333.432 3.014 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161733934 1382491270 /nfs/dbraw/zinc/49/12/70/1382491270.db2.gz PAJDCFUBYCZEMI-WAYWQWQTSA-N 2 1 335.536 3.213 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924815 1382554267 /nfs/dbraw/zinc/55/42/67/1382554267.db2.gz MAHJIJDHZFOXEE-WOQGQJNTSA-N 2 1 347.547 3.354 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924815 1382554272 /nfs/dbraw/zinc/55/42/72/1382554272.db2.gz MAHJIJDHZFOXEE-WOQGQJNTSA-N 2 1 347.547 3.354 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924815 1382554275 /nfs/dbraw/zinc/55/42/75/1382554275.db2.gz MAHJIJDHZFOXEE-WOQGQJNTSA-N 2 1 347.547 3.354 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161937621 1382561090 /nfs/dbraw/zinc/56/10/90/1382561090.db2.gz AIEZYKCVCPBARU-UHFFFAOYSA-N 2 1 335.536 3.191 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NCCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001161938741 1382562310 /nfs/dbraw/zinc/56/23/10/1382562310.db2.gz WGXPZFLCOGGQDT-UHFFFAOYSA-N 2 1 347.547 3.191 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161953041 1382569690 /nfs/dbraw/zinc/56/96/90/1382569690.db2.gz OYYZWWUMLAWHFP-UYAOXDASSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161953002 1382570004 /nfs/dbraw/zinc/57/00/04/1382570004.db2.gz OJCBKUVUHUKYNJ-FQEVSTJZSA-N 2 1 347.547 3.211 20 0 EGADMP Cc1ccc(C[NH2+]CCCNC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC001163267933 1383008979 /nfs/dbraw/zinc/00/89/79/1383008979.db2.gz SIPNAWZBSGVCEP-UHFFFAOYSA-N 2 1 345.531 3.246 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4cnc5c(c4)C[NH2+]CC5)[C@H]3C2)cc1 ZINC001164491838 1383192672 /nfs/dbraw/zinc/19/26/72/1383192672.db2.gz HEXKLIQBMNTPDI-XJABCFGWSA-N 2 1 348.494 3.050 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531224 1383196502 /nfs/dbraw/zinc/19/65/02/1383196502.db2.gz BOIWHYBZBQNSCH-RTBURBONSA-N 2 1 349.563 3.317 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)nc1 ZINC001165152687 1383237746 /nfs/dbraw/zinc/23/77/46/1383237746.db2.gz VLPNCMCCJQHJMK-GUDVDZBRSA-N 2 1 328.504 3.016 20 0 EGADMP C[N@H+]1CCC[C@H](CCNc2cc(Br)cc3c[nH+]cn32)C1 ZINC001165299807 1383269349 /nfs/dbraw/zinc/26/93/49/1383269349.db2.gz DGHJUMGKUNSBLC-GFCCVEGCSA-N 2 1 337.265 3.241 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001165332286 1383275608 /nfs/dbraw/zinc/27/56/08/1383275608.db2.gz GQEIMNOCLMGIDO-LJQANCHMSA-N 2 1 347.547 3.237 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001165484686 1383301150 /nfs/dbraw/zinc/30/11/50/1383301150.db2.gz GPGPFAVSFKCHNC-KRWDZBQOSA-N 2 1 346.519 3.073 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001165568888 1383311818 /nfs/dbraw/zinc/31/18/18/1383311818.db2.gz OIGCNSHCHDKNMB-SFHVURJKSA-N 2 1 337.552 3.317 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001165568524 1383312029 /nfs/dbraw/zinc/31/20/29/1383312029.db2.gz JRGWHRCBTWSLGC-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001165728373 1383334307 /nfs/dbraw/zinc/33/43/07/1383334307.db2.gz QJJGJALIYQUEHA-ROUUACIJSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001328763753 1388847875 /nfs/dbraw/zinc/84/78/75/1388847875.db2.gz FYNJFYMVNIEJLG-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1 ZINC001165926863 1383366109 /nfs/dbraw/zinc/36/61/09/1383366109.db2.gz HFCSJIWCJJMAHI-CTWPCTMYSA-N 2 1 349.563 3.029 20 0 EGADMP CCC/C=C/CC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001167236081 1383571749 /nfs/dbraw/zinc/57/17/49/1383571749.db2.gz HBUIPNSAIUKKQL-VOTSOKGWSA-N 2 1 349.563 3.341 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001167236063 1383572107 /nfs/dbraw/zinc/57/21/07/1383572107.db2.gz GWWBGDYRTMOFGC-HKUYNNGSSA-N 2 1 349.563 3.031 20 0 EGADMP C[C@@H](C(=O)N[C@@]1(C)CC[NH+](Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001300205945 1383652163 /nfs/dbraw/zinc/65/21/63/1383652163.db2.gz BFPXEVVLKZQSIC-NYUBLWNDSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001300205945 1383652169 /nfs/dbraw/zinc/65/21/69/1383652169.db2.gz BFPXEVVLKZQSIC-NYUBLWNDSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001300205945 1383652170 /nfs/dbraw/zinc/65/21/70/1383652170.db2.gz BFPXEVVLKZQSIC-NYUBLWNDSA-N 2 1 343.515 3.029 20 0 EGADMP CCc1cccc(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC001167626921 1383692305 /nfs/dbraw/zinc/69/23/05/1383692305.db2.gz HREHCEIXPNVUBR-FQEVSTJZSA-N 2 1 345.531 3.108 20 0 EGADMP CCCC[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001167711062 1383719311 /nfs/dbraw/zinc/71/93/11/1383719311.db2.gz PXDUGRYJPPSHED-IBGZPJMESA-N 2 1 345.531 3.356 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001167812271 1383746364 /nfs/dbraw/zinc/74/63/64/1383746364.db2.gz KCPDZUODXMEIRE-QRVBRYPASA-N 2 1 349.563 3.031 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN(C(=O)c2ccccc2)C[C@H]1C ZINC001167834476 1383753190 /nfs/dbraw/zinc/75/31/90/1383753190.db2.gz KLWHTIPJEGWDBA-RBUKOAKNSA-N 2 1 345.531 3.343 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](CN2C(=O)OC(C)(C)C)C1 ZINC001167840108 1383755873 /nfs/dbraw/zinc/75/58/73/1383755873.db2.gz DUVCSNDNKNKEHU-BBWFWOEESA-N 2 1 339.524 3.048 20 0 EGADMP Cc1c(F)cccc1[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167973179 1383782190 /nfs/dbraw/zinc/78/21/90/1383782190.db2.gz IOPSJBRBBDGHCU-KVMCETHSSA-N 2 1 332.463 3.163 20 0 EGADMP Cc1c(F)cccc1[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973179 1383782192 /nfs/dbraw/zinc/78/21/92/1383782192.db2.gz IOPSJBRBBDGHCU-KVMCETHSSA-N 2 1 332.463 3.163 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167974832 1383783185 /nfs/dbraw/zinc/78/31/85/1383783185.db2.gz BBOYKASHLQIFMM-UKVDTYTHSA-N 3 1 331.548 3.374 20 0 EGADMP [NH3+][C@H]1CC[C@H]([NH+](CC2CC2)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167974832 1383783188 /nfs/dbraw/zinc/78/31/88/1383783188.db2.gz BBOYKASHLQIFMM-UKVDTYTHSA-N 3 1 331.548 3.374 20 0 EGADMP [NH3+][C@H]1CC[C@H]([NH+](CC2CC2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167974832 1383783189 /nfs/dbraw/zinc/78/31/89/1383783189.db2.gz BBOYKASHLQIFMM-UKVDTYTHSA-N 3 1 331.548 3.374 20 0 EGADMP CCOC(=O)[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981833 1383786733 /nfs/dbraw/zinc/78/67/33/1383786733.db2.gz MJHDBUIWVUZLCS-HDDXRBDOSA-N 2 1 334.504 3.103 20 0 EGADMP CCOC(C[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)OCC ZINC001168007587 1383794954 /nfs/dbraw/zinc/79/49/54/1383794954.db2.gz AZDOWXXXVUMZCW-IRXDYDNUSA-N 2 1 334.504 3.417 20 0 EGADMP Cc1nn(C)cc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168011585 1383796799 /nfs/dbraw/zinc/79/67/99/1383796799.db2.gz PTRJYIZLHOWYPH-CWPLJXCYSA-N 2 1 326.488 3.260 20 0 EGADMP Cc1nn(C)cc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168011585 1383796803 /nfs/dbraw/zinc/79/68/03/1383796803.db2.gz PTRJYIZLHOWYPH-CWPLJXCYSA-N 2 1 326.488 3.260 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccn2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168018787 1383798250 /nfs/dbraw/zinc/79/82/50/1383798250.db2.gz DLSKBLBWFLHOLR-SHJAMOMRSA-N 2 1 339.483 3.146 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018787 1383798252 /nfs/dbraw/zinc/79/82/52/1383798252.db2.gz DLSKBLBWFLHOLR-SHJAMOMRSA-N 2 1 339.483 3.146 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccccn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168020882 1383798343 /nfs/dbraw/zinc/79/83/43/1383798343.db2.gz OIAJDNIIJMPDQQ-OPVJXMOQSA-N 2 1 339.483 3.492 20 0 EGADMP O=C(NCCC[NH2+]CC1CCCCCC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168030579 1383800168 /nfs/dbraw/zinc/80/01/68/1383800168.db2.gz QGJQCICWMLNKJF-RBUKOAKNSA-N 2 1 335.536 3.070 20 0 EGADMP O=C(NCCC[NH2+]CCCC1CCCC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168031330 1383800180 /nfs/dbraw/zinc/80/01/80/1383800180.db2.gz ZBEMCQSCUPTORA-RBUKOAKNSA-N 2 1 335.536 3.070 20 0 EGADMP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001168029140 1383800511 /nfs/dbraw/zinc/80/05/11/1383800511.db2.gz CRUOMZQDMSHCAW-RBUKOAKNSA-N 2 1 349.563 3.316 20 0 EGADMP COCC1([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC001168033298 1383801173 /nfs/dbraw/zinc/80/11/73/1383801173.db2.gz KKGSNLFLPPQHOE-OPVJXMOQSA-N 2 1 346.515 3.213 20 0 EGADMP C[C@H]1CC([NH2+]Cc2cncn2CCF)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168037003 1383801181 /nfs/dbraw/zinc/80/11/81/1383801181.db2.gz YCHUAZLVQSDLPI-IRXDYDNUSA-N 2 1 344.478 3.384 20 0 EGADMP C[C@@H]1CC([N@@H+]2CC[C@@H](F)[C@@H](O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039541 1383802623 /nfs/dbraw/zinc/80/26/23/1383802623.db2.gz GIEUYSONRSOPOG-SMOSDQRPSA-N 2 1 334.479 3.223 20 0 EGADMP C[C@@H]1C[C@@H](N2CCC[C@H]2C[NH+](C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168063383 1383808709 /nfs/dbraw/zinc/80/87/09/1383808709.db2.gz NECLTKYLQXBQJY-YHELAOLJSA-N 2 1 329.532 3.454 20 0 EGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001168190717 1383840010 /nfs/dbraw/zinc/84/00/10/1383840010.db2.gz CICFCLPXKYFEOZ-KRWDZBQOSA-N 2 1 349.950 3.230 20 0 EGADMP CC1CCC([NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC001168203578 1383842904 /nfs/dbraw/zinc/84/29/04/1383842904.db2.gz WMNLRUPSGRUWSH-UHFFFAOYSA-N 2 1 341.540 3.391 20 0 EGADMP CC1CCC([NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)CC1 ZINC001168214972 1383845742 /nfs/dbraw/zinc/84/57/42/1383845742.db2.gz JQPZEKIOILEQMW-UHFFFAOYSA-N 2 1 330.520 3.429 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001168229963 1383849681 /nfs/dbraw/zinc/84/96/81/1383849681.db2.gz DVWPMLSGSLWSAZ-NQIIRXRSSA-N 2 1 336.479 3.274 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168324652 1383873111 /nfs/dbraw/zinc/87/31/11/1383873111.db2.gz SQASTJVSXLEHCE-XNIRIUNOSA-N 2 1 339.524 3.237 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC001168323790 1383873641 /nfs/dbraw/zinc/87/36/41/1383873641.db2.gz CPUFJYIDUDPKRR-GKYDQMIMSA-N 2 1 327.516 3.066 20 0 EGADMP CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)C1CCC([NH+](C)C)CC1 ZINC001168328533 1383874644 /nfs/dbraw/zinc/87/46/44/1383874644.db2.gz JBYUOKGESZRMOW-UHFFFAOYSA-N 2 1 327.513 3.048 20 0 EGADMP C(=C/c1ccccc1)\C[NH+]1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168373745 1383888197 /nfs/dbraw/zinc/88/81/97/1383888197.db2.gz TZFRPGKWMDMCGV-QPJJXVBHSA-N 2 1 339.527 3.192 20 0 EGADMP CC[N@H+](CCN(C)C(=O)OC(C)(C)C)C1CC[NH+](CC2CC2)CC1 ZINC001168388158 1383891819 /nfs/dbraw/zinc/89/18/19/1383891819.db2.gz CDALPBZPJRIJGU-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)C1CC[NH+](CC2CC2)CC1 ZINC001168388158 1383891824 /nfs/dbraw/zinc/89/18/24/1383891824.db2.gz CDALPBZPJRIJGU-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CC[NH+]1C1CCCC1 ZINC001306525646 1383894289 /nfs/dbraw/zinc/89/42/89/1383894289.db2.gz YVNBTBNZQLCOKI-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CC1CCCCC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001306525646 1383894295 /nfs/dbraw/zinc/89/42/95/1383894295.db2.gz YVNBTBNZQLCOKI-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CC1CCCCC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001306525646 1383894297 /nfs/dbraw/zinc/89/42/97/1383894297.db2.gz YVNBTBNZQLCOKI-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP CC[NH+](CC)CC[C@@H](C)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC001306909389 1383919133 /nfs/dbraw/zinc/91/91/33/1383919133.db2.gz KETJNIQELYPPAO-XLIONFOSSA-N 2 1 345.531 3.346 20 0 EGADMP COc1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CCCC[C@@H]3[NH+](C)C)CCO2)cc1 ZINC001168592988 1383943738 /nfs/dbraw/zinc/94/37/38/1383943738.db2.gz BMVXDICXPWMCBL-LEAZDLGRSA-N 2 1 332.488 3.378 20 0 EGADMP COc1ccc([C@@H]2C[C@@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCO2)cc1 ZINC001168591079 1383943789 /nfs/dbraw/zinc/94/37/89/1383943789.db2.gz SLUJGSDNKRSCBJ-JNIAIEOXSA-N 2 1 330.472 3.130 20 0 EGADMP COc1ccc([C@H]2C[C@@H]([N@H+]3CCC4(C3)CC[NH+](C)CC4)CCO2)cc1 ZINC001168666897 1383964817 /nfs/dbraw/zinc/96/48/17/1383964817.db2.gz YMLUWPYBKXLZIC-AZUAARDMSA-N 2 1 344.499 3.333 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCC[NH+]1CCC(Cc3ccccc3)CC1)C2 ZINC001169077889 1384103315 /nfs/dbraw/zinc/10/33/15/1384103315.db2.gz BGDHVTCOZURZBY-KOUNCHBCSA-N 2 1 341.543 3.156 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001169093559 1384105724 /nfs/dbraw/zinc/10/57/24/1384105724.db2.gz IMSIUPWZWJIXLJ-BURNTYAHSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001169093559 1384105726 /nfs/dbraw/zinc/10/57/26/1384105726.db2.gz IMSIUPWZWJIXLJ-BURNTYAHSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001169093559 1384105728 /nfs/dbraw/zinc/10/57/28/1384105728.db2.gz IMSIUPWZWJIXLJ-BURNTYAHSA-N 2 1 327.516 3.113 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001169093559 1384105730 /nfs/dbraw/zinc/10/57/30/1384105730.db2.gz IMSIUPWZWJIXLJ-BURNTYAHSA-N 3 1 327.516 3.113 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001169093559 1384105732 /nfs/dbraw/zinc/10/57/32/1384105732.db2.gz IMSIUPWZWJIXLJ-BURNTYAHSA-N 3 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001169093559 1384105734 /nfs/dbraw/zinc/10/57/34/1384105734.db2.gz IMSIUPWZWJIXLJ-BURNTYAHSA-N 3 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001169093559 1384105737 /nfs/dbraw/zinc/10/57/37/1384105737.db2.gz IMSIUPWZWJIXLJ-BURNTYAHSA-N 3 1 327.516 3.113 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccc(F)c(F)c3)CC1)C2 ZINC001169110571 1384108740 /nfs/dbraw/zinc/10/87/40/1384108740.db2.gz MXGLKXPOKKFZRY-NNZMDNLPSA-N 2 1 349.469 3.144 20 0 EGADMP Cc1ccc(CN2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(F)c1 ZINC001169110593 1384108893 /nfs/dbraw/zinc/10/88/93/1384108893.db2.gz NKIHJNMSTAZORB-OWZKRDHZSA-N 2 1 345.506 3.313 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124821 1384110713 /nfs/dbraw/zinc/11/07/13/1384110713.db2.gz UIMCXLVBKFQGGG-KMKNWIINSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124821 1384110715 /nfs/dbraw/zinc/11/07/15/1384110715.db2.gz UIMCXLVBKFQGGG-KMKNWIINSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124821 1384110717 /nfs/dbraw/zinc/11/07/17/1384110717.db2.gz UIMCXLVBKFQGGG-KMKNWIINSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124821 1384110719 /nfs/dbraw/zinc/11/07/19/1384110719.db2.gz UIMCXLVBKFQGGG-KMKNWIINSA-N 3 1 341.543 3.359 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124821 1384110720 /nfs/dbraw/zinc/11/07/20/1384110720.db2.gz UIMCXLVBKFQGGG-KMKNWIINSA-N 3 1 341.543 3.359 20 0 EGADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124821 1384110722 /nfs/dbraw/zinc/11/07/22/1384110722.db2.gz UIMCXLVBKFQGGG-KMKNWIINSA-N 3 1 341.543 3.359 20 0 EGADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124821 1384110724 /nfs/dbraw/zinc/11/07/24/1384110724.db2.gz UIMCXLVBKFQGGG-KMKNWIINSA-N 3 1 341.543 3.359 20 0 EGADMP COc1cc(C)ccc1OC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169146012 1384114289 /nfs/dbraw/zinc/11/42/89/1384114289.db2.gz OCHNHCIXOMLHPT-PIIMJCKOSA-N 2 1 344.499 3.472 20 0 EGADMP COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155763 1384116826 /nfs/dbraw/zinc/11/68/26/1384116826.db2.gz UMSIKKWGURYVIK-YSHGAJCASA-N 2 1 330.472 3.065 20 0 EGADMP COC(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155763 1384116827 /nfs/dbraw/zinc/11/68/27/1384116827.db2.gz UMSIKKWGURYVIK-YSHGAJCASA-N 2 1 330.472 3.065 20 0 EGADMP COC(=O)C[C@@H](C)[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169155763 1384116829 /nfs/dbraw/zinc/11/68/29/1384116829.db2.gz UMSIKKWGURYVIK-YSHGAJCASA-N 2 1 330.472 3.065 20 0 EGADMP COC(=O)C[C@@H](C)[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169155763 1384116831 /nfs/dbraw/zinc/11/68/31/1384116831.db2.gz UMSIKKWGURYVIK-YSHGAJCASA-N 2 1 330.472 3.065 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(CN(C)C(=O)OC(C)(C)C)CC2)CC1 ZINC001169254701 1384128013 /nfs/dbraw/zinc/12/80/13/1384128013.db2.gz IHECLPGCHZDYSO-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC001308740819 1384146280 /nfs/dbraw/zinc/14/62/80/1384146280.db2.gz OMRQWTNVWPWEDR-PWRODBHTSA-N 2 1 329.532 3.138 20 0 EGADMP O=C(Nc1ccccc1)Nc1cc[nH+]c(NCC[C@H]2CCC[NH2+]2)c1 ZINC001169558635 1384159484 /nfs/dbraw/zinc/15/94/84/1384159484.db2.gz KSXPUBKJAVNSFR-CQSZACIVSA-N 2 1 325.416 3.280 20 0 EGADMP Cc1[nH+]ccn1-c1cncc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)n1 ZINC001169686219 1384173572 /nfs/dbraw/zinc/17/35/72/1384173572.db2.gz WLFXJGHFSDICAO-INIZCTEOSA-N 2 1 334.427 3.211 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)nn1 ZINC001169683828 1384173725 /nfs/dbraw/zinc/17/37/25/1384173725.db2.gz CRCNQRHVKHWPHS-INIZCTEOSA-N 2 1 334.427 3.211 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169799944 1384187534 /nfs/dbraw/zinc/18/75/34/1384187534.db2.gz YSHFEZSINSUIJZ-ICSRJNTNSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)CCC[C@@H](C)N(c1[nH+]ccn1C)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001170078483 1384230174 /nfs/dbraw/zinc/23/01/74/1384230174.db2.gz SHUZCJJBYXGMDI-MSOLQXFVSA-N 2 1 348.535 3.352 20 0 EGADMP C[C@H]1CC[C@H]([NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)C1 ZINC001170110600 1384237802 /nfs/dbraw/zinc/23/78/02/1384237802.db2.gz ZGRMNXPXTRRBOD-HOTGVXAUSA-N 2 1 327.513 3.001 20 0 EGADMP C[C@@H](Cc1ccccc1Cl)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001170272440 1384279504 /nfs/dbraw/zinc/27/95/04/1384279504.db2.gz HXWGASBRLOGDMX-AWEZNQCLSA-N 2 1 335.879 3.401 20 0 EGADMP Cc1cc(N2CCOCC2)[nH+]cc1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170451728 1384322117 /nfs/dbraw/zinc/32/21/17/1384322117.db2.gz XEXPQGVOFURSHW-UHFFFAOYSA-N 2 1 346.519 3.290 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCCCF ZINC001170749629 1384377701 /nfs/dbraw/zinc/37/77/01/1384377701.db2.gz AEWWXPSXYMEWFB-QZTJIDSGSA-N 2 1 343.531 3.264 20 0 EGADMP CCCCCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001170784024 1384384609 /nfs/dbraw/zinc/38/46/09/1384384609.db2.gz CJHOXCARPIWICI-GOSISDBHSA-N 2 1 325.541 3.317 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170855117 1384399825 /nfs/dbraw/zinc/39/98/25/1384399825.db2.gz WGZCQAGKAZFDKZ-DLBZAZTESA-N 2 1 337.305 3.380 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)CCCC[NH2+]CCCF ZINC001170878257 1384403359 /nfs/dbraw/zinc/40/33/59/1384403359.db2.gz MGTWRTOEGWJLKY-CVEARBPZSA-N 2 1 340.487 3.021 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170974527 1384421524 /nfs/dbraw/zinc/42/15/24/1384421524.db2.gz UZZNZLISQGOPMJ-ZHALLVOQSA-N 2 1 346.490 3.434 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001316603564 1384471534 /nfs/dbraw/zinc/47/15/34/1384471534.db2.gz QEFWDJGOIFDPCQ-YLJYHZDGSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001171226663 1384473669 /nfs/dbraw/zinc/47/36/69/1384473669.db2.gz JBOHOUPBYQXSJM-ROUUACIJSA-N 2 1 345.531 3.309 20 0 EGADMP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171245715 1384477658 /nfs/dbraw/zinc/47/76/58/1384477658.db2.gz BFLJGWOOHKGLJE-JDTHPWDHSA-N 2 1 346.519 3.381 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl ZINC001171248360 1384477968 /nfs/dbraw/zinc/47/79/68/1384477968.db2.gz TUXBQAWLDMEOSW-GJWDQICYSA-N 2 1 343.943 3.266 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001171261582 1384481398 /nfs/dbraw/zinc/48/13/98/1384481398.db2.gz VTEPQRLZMIILOF-GOSISDBHSA-N 2 1 345.531 3.244 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171545298 1384558713 /nfs/dbraw/zinc/55/87/13/1384558713.db2.gz DHCOVJXQQNOEOI-PKOBYXMFSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171545293 1384558800 /nfs/dbraw/zinc/55/88/00/1384558800.db2.gz DHCOVJXQQNOEOI-HKUYNNGSSA-N 2 1 337.552 3.316 20 0 EGADMP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171548002 1384559410 /nfs/dbraw/zinc/55/94/10/1384559410.db2.gz ZKANIUUBVCGYNC-ROUUACIJSA-N 2 1 325.541 3.316 20 0 EGADMP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171547999 1384559524 /nfs/dbraw/zinc/55/95/24/1384559524.db2.gz ZKANIUUBVCGYNC-MSOLQXFVSA-N 2 1 325.541 3.316 20 0 EGADMP C[NH+]1C(C)(C)CC(N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1(C)C ZINC001171623575 1384583034 /nfs/dbraw/zinc/58/30/34/1384583034.db2.gz CRFJBTFJWMGRBG-PMOLBWCYSA-N 3 1 341.543 3.358 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001171645825 1384591335 /nfs/dbraw/zinc/59/13/35/1384591335.db2.gz CKJQMPIRWIYDRZ-MOPGFXCFSA-N 2 1 337.552 3.338 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001171646764 1384591588 /nfs/dbraw/zinc/59/15/88/1384591588.db2.gz PHIFWAZHCXLQKE-RBUKOAKNSA-N 2 1 339.568 3.418 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCC(C)CC1 ZINC001171821653 1384651077 /nfs/dbraw/zinc/65/10/77/1384651077.db2.gz PJHVCQQSODAEGS-HFCFLWKCSA-N 2 1 348.535 3.282 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171894850 1384672860 /nfs/dbraw/zinc/67/28/60/1384672860.db2.gz LJUWMKFOUMHOLP-FQEVSTJZSA-N 2 1 343.515 3.099 20 0 EGADMP CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1c(C)cccc1C ZINC001316896534 1384676221 /nfs/dbraw/zinc/67/62/21/1384676221.db2.gz VJGZXFDWOXDXPX-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1c(C)cccc1C ZINC001316896534 1384676226 /nfs/dbraw/zinc/67/62/26/1384676226.db2.gz VJGZXFDWOXDXPX-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP C[N@H+]1CCC[C@@H](CN[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969195 1384698779 /nfs/dbraw/zinc/69/87/79/1384698779.db2.gz UJMIUHPKWRTCRR-PMACEKPBSA-N 2 1 329.532 3.361 20 0 EGADMP C[NH+]1CCC[C@@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969195 1384698781 /nfs/dbraw/zinc/69/87/81/1384698781.db2.gz UJMIUHPKWRTCRR-PMACEKPBSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+]1CCC[C@@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969195 1384698783 /nfs/dbraw/zinc/69/87/83/1384698783.db2.gz UJMIUHPKWRTCRR-PMACEKPBSA-N 3 1 329.532 3.361 20 0 EGADMP CCN(CC)C(=O)[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171966640 1384698837 /nfs/dbraw/zinc/69/88/37/1384698837.db2.gz LVDPZGLCLGVXCA-MJGOQNOKSA-N 2 1 345.531 3.276 20 0 EGADMP CCN(CC)C(=O)[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171966640 1384698839 /nfs/dbraw/zinc/69/88/39/1384698839.db2.gz LVDPZGLCLGVXCA-MJGOQNOKSA-N 2 1 345.531 3.276 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977920 1384702368 /nfs/dbraw/zinc/70/23/68/1384702368.db2.gz UWUCDDYLCXRHOF-YZGWKJHDSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977920 1384702372 /nfs/dbraw/zinc/70/23/72/1384702372.db2.gz UWUCDDYLCXRHOF-YZGWKJHDSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977920 1384702376 /nfs/dbraw/zinc/70/23/76/1384702376.db2.gz UWUCDDYLCXRHOF-YZGWKJHDSA-N 2 1 329.532 3.359 20 0 EGADMP O[C@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccco1 ZINC001172063745 1384714854 /nfs/dbraw/zinc/71/48/54/1384714854.db2.gz CDYRTHSMQPLVIH-YSTOQKLRSA-N 2 1 340.467 3.488 20 0 EGADMP O[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067197 1384716358 /nfs/dbraw/zinc/71/63/58/1384716358.db2.gz LGTDCWHWTRHQBX-YMQHIKHWSA-N 2 1 328.500 3.465 20 0 EGADMP CCOC(=O)CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069394 1384718763 /nfs/dbraw/zinc/71/87/63/1384718763.db2.gz UFASRHUNSKGNHN-REPLKXPHSA-N 2 1 330.472 3.115 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001316949355 1384722015 /nfs/dbraw/zinc/72/20/15/1384722015.db2.gz QFOXPHYWCYEPQB-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2c(C)cc(C)cc2C)C1 ZINC001316957627 1384727768 /nfs/dbraw/zinc/72/77/68/1384727768.db2.gz ZYYHFFKYGIHREP-LJQANCHMSA-N 2 1 345.531 3.034 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2c(C)cc(C)cc2C)C1 ZINC001316957627 1384727770 /nfs/dbraw/zinc/72/77/70/1384727770.db2.gz ZYYHFFKYGIHREP-LJQANCHMSA-N 2 1 345.531 3.034 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(C)cc(C)cc2C)C1 ZINC001316957627 1384727774 /nfs/dbraw/zinc/72/77/74/1384727774.db2.gz ZYYHFFKYGIHREP-LJQANCHMSA-N 2 1 345.531 3.034 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CS2 ZINC001172108460 1384728803 /nfs/dbraw/zinc/72/88/03/1384728803.db2.gz ALBBJRVYTCRDBP-LUKYLMHMSA-N 2 1 332.513 3.317 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CS2 ZINC001172108460 1384728804 /nfs/dbraw/zinc/72/88/04/1384728804.db2.gz ALBBJRVYTCRDBP-LUKYLMHMSA-N 2 1 332.513 3.317 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(N3CCCOC3=O)c1)C2 ZINC001172110956 1384729242 /nfs/dbraw/zinc/72/92/42/1384729242.db2.gz RKLORWYTTDZRRJ-NNZMDNLPSA-N 2 1 343.471 3.138 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC3(CCC[NH+]3CC3CC3)CC1)C2 ZINC001172115459 1384731247 /nfs/dbraw/zinc/73/12/47/1384731247.db2.gz BJBMWJFEWUJSFA-PMOLBWCYSA-N 2 1 331.548 3.342 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC3(CCC[N@@H+]3CC3CC3)CC1)C2 ZINC001172115459 1384731248 /nfs/dbraw/zinc/73/12/48/1384731248.db2.gz BJBMWJFEWUJSFA-PMOLBWCYSA-N 2 1 331.548 3.342 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC3(CCC[N@H+]3CC3CC3)CC1)C2 ZINC001172115459 1384731249 /nfs/dbraw/zinc/73/12/49/1384731249.db2.gz BJBMWJFEWUJSFA-PMOLBWCYSA-N 2 1 331.548 3.342 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)C2 ZINC001172116277 1384733240 /nfs/dbraw/zinc/73/32/40/1384733240.db2.gz ZUKPBSDBUDBSPY-BCDXTJNWSA-N 2 1 335.536 3.019 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)C2 ZINC001172116277 1384733244 /nfs/dbraw/zinc/73/32/44/1384733244.db2.gz ZUKPBSDBUDBSPY-BCDXTJNWSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@]1(O)C(F)(F)F ZINC001172116194 1384733322 /nfs/dbraw/zinc/73/33/22/1384733322.db2.gz BDDBXBNIOTVMFN-RBGFHDKUSA-N 2 1 334.426 3.027 20 0 EGADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@]1(O)C(F)(F)F ZINC001172116194 1384733326 /nfs/dbraw/zinc/73/33/26/1384733326.db2.gz BDDBXBNIOTVMFN-RBGFHDKUSA-N 2 1 334.426 3.027 20 0 EGADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC[C@]1(O)C(F)(F)F ZINC001172116194 1384733332 /nfs/dbraw/zinc/73/33/32/1384733332.db2.gz BDDBXBNIOTVMFN-RBGFHDKUSA-N 2 1 334.426 3.027 20 0 EGADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC[C@]1(O)C(F)(F)F ZINC001172116194 1384733337 /nfs/dbraw/zinc/73/33/37/1384733337.db2.gz BDDBXBNIOTVMFN-RBGFHDKUSA-N 2 1 334.426 3.027 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC([C@](C)(O)C(F)(F)F)CC1)C2 ZINC001172128532 1384736371 /nfs/dbraw/zinc/73/63/71/1384736371.db2.gz SCAPHLWWAJQGRC-FZKCQIBNSA-N 2 1 334.426 3.027 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC([C@](C)(O)C(F)(F)F)CC1)C2 ZINC001172128532 1384736372 /nfs/dbraw/zinc/73/63/72/1384736372.db2.gz SCAPHLWWAJQGRC-FZKCQIBNSA-N 2 1 334.426 3.027 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3CC[C@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172130386 1384738307 /nfs/dbraw/zinc/73/83/07/1384738307.db2.gz OMSSZAFESCPETL-FLXSYLCISA-N 2 1 349.519 3.085 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3CC[C@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172130386 1384738310 /nfs/dbraw/zinc/73/83/10/1384738310.db2.gz OMSSZAFESCPETL-FLXSYLCISA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3CC[C@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172130386 1384738312 /nfs/dbraw/zinc/73/83/12/1384738312.db2.gz OMSSZAFESCPETL-FLXSYLCISA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@@H]3CC[C@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172130386 1384738315 /nfs/dbraw/zinc/73/83/15/1384738315.db2.gz OMSSZAFESCPETL-FLXSYLCISA-N 2 1 349.519 3.085 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1)C1CCCCC1 ZINC001316981287 1384739243 /nfs/dbraw/zinc/73/92/43/1384739243.db2.gz ORTMTFVOKIZLRJ-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)C1CCCCC1 ZINC001316981287 1384739244 /nfs/dbraw/zinc/73/92/44/1384739244.db2.gz ORTMTFVOKIZLRJ-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)C1CCCCC1 ZINC001316981287 1384739245 /nfs/dbraw/zinc/73/92/45/1384739245.db2.gz ORTMTFVOKIZLRJ-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172161238 1384740023 /nfs/dbraw/zinc/74/00/23/1384740023.db2.gz UJJWUPCJNNAPGU-WNHJNPCNSA-N 2 1 333.520 3.044 20 0 EGADMP CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)C1CC[NH+](CCCOC)CC1 ZINC001172251056 1384756031 /nfs/dbraw/zinc/75/60/31/1384756031.db2.gz YLDVFSPJTPOKHL-GOSISDBHSA-N 2 1 348.531 3.449 20 0 EGADMP CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)C1CC[NH+](CCCOC)CC1 ZINC001172251056 1384756033 /nfs/dbraw/zinc/75/60/33/1384756033.db2.gz YLDVFSPJTPOKHL-GOSISDBHSA-N 2 1 348.531 3.449 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CC[C@@H](C)[C@H](C)C3)CC2)C1 ZINC001172381783 1384782007 /nfs/dbraw/zinc/78/20/07/1384782007.db2.gz ICCAKCBXLHFXOB-YWTNHNAXSA-N 2 1 336.520 3.161 20 0 EGADMP CC(C)COCC[C@@H](C)[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172465945 1384798450 /nfs/dbraw/zinc/79/84/50/1384798450.db2.gz JHWZSDXHKNCQKW-WOJBJXKFSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)COCC[C@@H](C)[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172465945 1384798454 /nfs/dbraw/zinc/79/84/54/1384798454.db2.gz JHWZSDXHKNCQKW-WOJBJXKFSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)COCC[C@@H](C)[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001172465945 1384798458 /nfs/dbraw/zinc/79/84/58/1384798458.db2.gz JHWZSDXHKNCQKW-WOJBJXKFSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)COCC[C@@H](C)[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001172465945 1384798459 /nfs/dbraw/zinc/79/84/59/1384798459.db2.gz JHWZSDXHKNCQKW-WOJBJXKFSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172717155 1384835567 /nfs/dbraw/zinc/83/55/67/1384835567.db2.gz QLNKGMLGKQAUIN-QGZVFWFLSA-N 3 1 337.939 3.283 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CC1 ZINC001172781069 1384850818 /nfs/dbraw/zinc/85/08/18/1384850818.db2.gz UVRONURHQIQTKT-CVEARBPZSA-N 2 1 348.462 3.197 20 0 EGADMP Cc1ccc2c(c1)C[C@@H]([NH+]1CCC([N@@H+](C)C3CCOCC3)CC1)CC2 ZINC001172840919 1384863776 /nfs/dbraw/zinc/86/37/76/1384863776.db2.gz DAHNYOUTMUIPFN-QFIPXVFZSA-N 2 1 342.527 3.428 20 0 EGADMP CC[N@H+]1CCO[C@@H]2CN([C@@H](C)Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001172869457 1384868990 /nfs/dbraw/zinc/86/89/90/1384868990.db2.gz ZTTUMUGOCQSGGI-DHSIGJKJSA-N 2 1 340.870 3.063 20 0 EGADMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@H](OC)C3)CC2)cc1 ZINC001172925934 1384880662 /nfs/dbraw/zinc/88/06/62/1384880662.db2.gz LWUNOJNGOKKTHM-CTNGQTDRSA-N 2 1 346.515 3.249 20 0 EGADMP CCC[NH+](CCC)CC[NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172993141 1384896475 /nfs/dbraw/zinc/89/64/75/1384896475.db2.gz HUTKPDPKBLEXHJ-UHFFFAOYSA-N 2 1 349.494 3.142 20 0 EGADMP CC[NH+](CC)C1CCC([NH2+][C@@H](CCSC)C(=O)OC(C)C)CC1 ZINC001173105139 1384915657 /nfs/dbraw/zinc/91/56/57/1384915657.db2.gz AVWJJLIGLNQNNK-JCYILVPMSA-N 2 1 344.565 3.302 20 0 EGADMP CC[NH+](CC)C1CCC([NH2+][C@](C)(Cc2ccccc2)C(=O)OC)CC1 ZINC001173107730 1384916002 /nfs/dbraw/zinc/91/60/02/1384916002.db2.gz KHYCYDOSLCZBOM-GZNCHQMQSA-N 2 1 346.515 3.403 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCc3ncnc(C4CC4)c3CC2)CC1 ZINC001173110102 1384917054 /nfs/dbraw/zinc/91/70/54/1384917054.db2.gz HLRORXFFMZYNJD-UHFFFAOYSA-N 2 1 342.531 3.408 20 0 EGADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)[C@H]1CCc2ncsc2C1 ZINC001173135539 1384921675 /nfs/dbraw/zinc/92/16/75/1384921675.db2.gz MWIXRKABZHYQGR-LSDHHAIUSA-N 2 1 349.544 3.012 20 0 EGADMP COc1cccc2c1C[C@@H]([N@H+](Cc1ccccc1)C[C@H](C)C[NH3+])CO2 ZINC001173165047 1384928446 /nfs/dbraw/zinc/92/84/46/1384928446.db2.gz RKENTQJKHZTMAP-SJLPKXTDSA-N 2 1 340.467 3.096 20 0 EGADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CCO1 ZINC001173173161 1384930741 /nfs/dbraw/zinc/93/07/41/1384930741.db2.gz MBJBAGXMHXWRMT-VXCLMFOKSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CCO1 ZINC001173173161 1384930746 /nfs/dbraw/zinc/93/07/46/1384930746.db2.gz MBJBAGXMHXWRMT-VXCLMFOKSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)CCO1 ZINC001173173161 1384930748 /nfs/dbraw/zinc/93/07/48/1384930748.db2.gz MBJBAGXMHXWRMT-VXCLMFOKSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CCO1 ZINC001173173161 1384930750 /nfs/dbraw/zinc/93/07/50/1384930750.db2.gz MBJBAGXMHXWRMT-VXCLMFOKSA-N 2 1 343.515 3.181 20 0 EGADMP CCc1ccc(C[C@H](C)[NH+]2CCN(CC3CC[NH+](C)CC3)CC2)cc1 ZINC001173248215 1384944261 /nfs/dbraw/zinc/94/42/61/1384944261.db2.gz SMQYIEFGUKWENC-IBGZPJMESA-N 2 1 343.559 3.139 20 0 EGADMP CCc1ccc(C[C@@H](C)[NH+]2CCN(CC3CC[NH+](C)CC3)CC2)cc1 ZINC001173248216 1384944837 /nfs/dbraw/zinc/94/48/37/1384944837.db2.gz SMQYIEFGUKWENC-LJQANCHMSA-N 2 1 343.559 3.139 20 0 EGADMP CC[C@@H]1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OCc2ccccc2)C1 ZINC001173264217 1384946979 /nfs/dbraw/zinc/94/69/79/1384946979.db2.gz RLPNDEAQYFJSDC-QRQLOZEOSA-N 2 1 332.488 3.396 20 0 EGADMP COC(=O)CCCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001173455611 1384974205 /nfs/dbraw/zinc/97/42/05/1384974205.db2.gz RFNPPBCWIYRSDG-RLLQIKCJSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)CCCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001173455611 1384974206 /nfs/dbraw/zinc/97/42/06/1384974206.db2.gz RFNPPBCWIYRSDG-RLLQIKCJSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)CCCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001173455611 1384974211 /nfs/dbraw/zinc/97/42/11/1384974211.db2.gz RFNPPBCWIYRSDG-RLLQIKCJSA-N 2 1 344.499 3.172 20 0 EGADMP CCOC(=O)[C@@H]1CC12CCC(n1c[nH+]cc1C1CC[NH2+]CC1)CC2 ZINC001173623537 1384990507 /nfs/dbraw/zinc/99/05/07/1384990507.db2.gz RIKKSORGRDHDII-WUJZJPHMSA-N 2 1 331.460 3.035 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001173658561 1384998222 /nfs/dbraw/zinc/99/82/22/1384998222.db2.gz QSSADFRCGHPCSZ-FCGDIQPGSA-N 2 1 336.520 3.447 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001173658561 1384998225 /nfs/dbraw/zinc/99/82/25/1384998225.db2.gz QSSADFRCGHPCSZ-FCGDIQPGSA-N 2 1 336.520 3.447 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001173658561 1384998228 /nfs/dbraw/zinc/99/82/28/1384998228.db2.gz QSSADFRCGHPCSZ-FCGDIQPGSA-N 2 1 336.520 3.447 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1CCN(CC(F)(F)F)CC1 ZINC001173673250 1385001076 /nfs/dbraw/zinc/00/10/76/1385001076.db2.gz JQCYGAWFFOZFNA-IRXDYDNUSA-N 2 1 347.469 3.352 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1CCN(CC(F)(F)F)CC1 ZINC001173673250 1385001080 /nfs/dbraw/zinc/00/10/80/1385001080.db2.gz JQCYGAWFFOZFNA-IRXDYDNUSA-N 2 1 347.469 3.352 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1CCN(CC(F)(F)F)CC1 ZINC001173673250 1385001084 /nfs/dbraw/zinc/00/10/84/1385001084.db2.gz JQCYGAWFFOZFNA-IRXDYDNUSA-N 2 1 347.469 3.352 20 0 EGADMP C[C@@H]1CC([N@@H+](C)C2CCN(C)CC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173679621 1385002918 /nfs/dbraw/zinc/00/29/18/1385002918.db2.gz IWPBLZYUGOTEFQ-HUUCEWRRSA-N 2 1 339.524 3.189 20 0 EGADMP COC(=O)c1ccc(C[C@@H](C)[N@H+]2CCCC[C@H](CCC[NH3+])C2)cc1 ZINC001173719913 1385008631 /nfs/dbraw/zinc/00/86/31/1385008631.db2.gz JJFZGEIISHHJQW-SJLPKXTDSA-N 2 1 332.488 3.245 20 0 EGADMP C[NH+](C)CCc1ccc(Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001174446814 1385110108 /nfs/dbraw/zinc/11/01/08/1385110108.db2.gz PCEUHTCMPNKUTG-UHFFFAOYSA-N 2 1 339.483 3.367 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl)C1 ZINC001174881178 1385164237 /nfs/dbraw/zinc/16/42/37/1385164237.db2.gz IUEHDMDHYLYVNX-CFMJQPPZSA-N 2 1 343.943 3.126 20 0 EGADMP Cc1cccc(C[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1 ZINC001317471688 1385166328 /nfs/dbraw/zinc/16/63/28/1385166328.db2.gz NWBNZIXEEDMXOZ-FQEVSTJZSA-N 2 1 345.531 3.054 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2)c1 ZINC001335940741 1388971440 /nfs/dbraw/zinc/97/14/40/1388971440.db2.gz FXVOOEOBPTUZBZ-HXUWFJFHSA-N 2 1 342.483 3.056 20 0 EGADMP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175255039 1385230249 /nfs/dbraw/zinc/23/02/49/1385230249.db2.gz BVVXYNWRABVVRP-RBUKOAKNSA-N 2 1 345.531 3.244 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175274009 1385237683 /nfs/dbraw/zinc/23/76/83/1385237683.db2.gz ZXIABFXLEDIPOQ-SFHVURJKSA-N 2 1 349.563 3.483 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175295613 1385242109 /nfs/dbraw/zinc/24/21/09/1385242109.db2.gz HLZRHDMZMFOILN-SJORKVTESA-N 2 1 327.557 3.275 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175298117 1385243216 /nfs/dbraw/zinc/24/32/16/1385243216.db2.gz ZXEKUDRYHSRSOV-QGZVFWFLSA-N 2 1 325.541 3.195 20 0 EGADMP CCC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)[C@H](C)c1ccccc1F ZINC001317544678 1385289121 /nfs/dbraw/zinc/28/91/21/1385289121.db2.gz AQLYJSUNPQPXOC-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[C@H](C)c1ccccc1F ZINC001317544678 1385289126 /nfs/dbraw/zinc/28/91/26/1385289126.db2.gz AQLYJSUNPQPXOC-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[C@H](C)c1ccccc1F ZINC001317544678 1385289128 /nfs/dbraw/zinc/28/91/28/1385289128.db2.gz AQLYJSUNPQPXOC-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)[C@@H](C)c1ccccc1F ZINC001317544684 1385289157 /nfs/dbraw/zinc/28/91/57/1385289157.db2.gz AQLYJSUNPQPXOC-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[C@@H](C)c1ccccc1F ZINC001317544684 1385289159 /nfs/dbraw/zinc/28/91/59/1385289159.db2.gz AQLYJSUNPQPXOC-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[C@@H](C)c1ccccc1F ZINC001317544684 1385289161 /nfs/dbraw/zinc/28/91/61/1385289161.db2.gz AQLYJSUNPQPXOC-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@H](C)c1ccccc1 ZINC001317544716 1385289389 /nfs/dbraw/zinc/28/93/89/1385289389.db2.gz RDJWRORMBYUNOE-GOSISDBHSA-N 2 1 345.531 3.308 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175529344 1385322419 /nfs/dbraw/zinc/32/24/19/1385322419.db2.gz UGXSCUZGSNTYLZ-KRWDZBQOSA-N 2 1 334.508 3.237 20 0 EGADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+](C(C)(C)C)C2)c1C ZINC001335985269 1388983377 /nfs/dbraw/zinc/98/33/77/1388983377.db2.gz BXMUFMVWDNRBIV-MOPGFXCFSA-N 2 1 348.531 3.062 20 0 EGADMP CCCN(C(=O)C[NH+](C)CCC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001317769721 1385460496 /nfs/dbraw/zinc/46/04/96/1385460496.db2.gz JCEZTNDCFYQMHD-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CCCN(C(=O)C[N@H+](C)CCC)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001317769721 1385460498 /nfs/dbraw/zinc/46/04/98/1385460498.db2.gz JCEZTNDCFYQMHD-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CCC)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001317769721 1385460499 /nfs/dbraw/zinc/46/04/99/1385460499.db2.gz JCEZTNDCFYQMHD-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP C[NH+](C)Cc1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001176292067 1385540970 /nfs/dbraw/zinc/54/09/70/1385540970.db2.gz NMWSQCOUGZRTTF-UHFFFAOYSA-N 2 1 342.462 3.383 20 0 EGADMP Cn1c[nH+]c2cccc(Nc3ccc(OCCC[NH+](C)C)nc3)c21 ZINC001176360667 1385564073 /nfs/dbraw/zinc/56/40/73/1385564073.db2.gz WGCQRUWKLSPAKV-UHFFFAOYSA-N 2 1 325.416 3.042 20 0 EGADMP CC1CC(C[N@H+]2CCC[C@@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001317937053 1385576831 /nfs/dbraw/zinc/57/68/31/1385576831.db2.gz VPXXSNLDSLGTIT-CTWPCTMYSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH2+]C[C@H](C)CC(C)C ZINC001176591927 1385634940 /nfs/dbraw/zinc/63/49/40/1385634940.db2.gz SWSUNEUIKCAPBZ-IAGOWNOFSA-N 2 1 336.524 3.138 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+][C@H](C)c1ccccc1 ZINC001176759565 1385685686 /nfs/dbraw/zinc/68/56/86/1385685686.db2.gz JZODPCHDMFOOAO-QZTJIDSGSA-N 2 1 333.520 3.352 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1c(C)cc(C)cc1C ZINC001176985995 1385764122 /nfs/dbraw/zinc/76/41/22/1385764122.db2.gz AQBHDMOXTVMVGY-HXUWFJFHSA-N 2 1 345.531 3.082 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001176992066 1385766108 /nfs/dbraw/zinc/76/61/08/1385766108.db2.gz IKPVQTRAQNMBEN-AZUAARDMSA-N 2 1 345.531 3.335 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC)c1ccc(F)cc1 ZINC001176992663 1385767355 /nfs/dbraw/zinc/76/73/55/1385767355.db2.gz WZQLUXVWNWFORP-RTBURBONSA-N 2 1 349.494 3.247 20 0 EGADMP CCC/C=C\CC[NH2+]CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001177016361 1385773578 /nfs/dbraw/zinc/77/35/78/1385773578.db2.gz KLWUCMZXTMGBJJ-RURPWVQCSA-N 2 1 331.504 3.132 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(CCC[NH2+]CCC(C)C)CC1CCCC1 ZINC001177484615 1385974250 /nfs/dbraw/zinc/97/42/50/1385974250.db2.gz GUQDHRXNWSPHQS-UHFFFAOYSA-N 2 1 348.535 3.236 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC2CCCCC2)C1 ZINC001319228603 1386015352 /nfs/dbraw/zinc/01/53/52/1386015352.db2.gz IZSHTEOTCVNZKD-PKOBYXMFSA-N 2 1 337.552 3.031 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001178045764 1386115473 /nfs/dbraw/zinc/11/54/73/1386115473.db2.gz UUSJURCCXRNKPU-QGZVFWFLSA-N 2 1 325.541 3.173 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001319559482 1386178377 /nfs/dbraw/zinc/17/83/77/1386178377.db2.gz SBSBPMFZTPMMGM-SJORKVTESA-N 2 1 345.531 3.015 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001178688240 1386277757 /nfs/dbraw/zinc/27/77/57/1386277757.db2.gz IFAJOONJSZQNPI-IBGZPJMESA-N 2 1 339.568 3.277 20 0 EGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001178698537 1386281486 /nfs/dbraw/zinc/28/14/86/1386281486.db2.gz KUKBLMGPGXLUSC-DDKKJVIOSA-N 2 1 346.519 3.383 20 0 EGADMP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001178698345 1386281612 /nfs/dbraw/zinc/28/16/12/1386281612.db2.gz DTHJVPYRGRRWOL-GOSISDBHSA-N 2 1 348.535 3.463 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]CC1CC(C)C1 ZINC001178853258 1386329328 /nfs/dbraw/zinc/32/93/28/1386329328.db2.gz FUAIVIRELNZJGC-UHFFFAOYSA-N 2 1 325.541 3.029 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC[C@@H](C)F ZINC001178920638 1386349326 /nfs/dbraw/zinc/34/93/26/1386349326.db2.gz CCYOJXXWFVCMJU-QZTJIDSGSA-N 2 1 343.531 3.121 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001178921147 1386350171 /nfs/dbraw/zinc/35/01/71/1386350171.db2.gz ZGFKLVNIUSGHNJ-IBGZPJMESA-N 2 1 337.552 3.173 20 0 EGADMP CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001320049034 1386475411 /nfs/dbraw/zinc/47/54/11/1386475411.db2.gz BEHQTJPNTDCWLE-YOEHRIQHSA-N 2 1 339.911 3.131 20 0 EGADMP CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001320049034 1386475415 /nfs/dbraw/zinc/47/54/15/1386475415.db2.gz BEHQTJPNTDCWLE-YOEHRIQHSA-N 2 1 339.911 3.131 20 0 EGADMP Cc1ccc(C[NH2+]CCCCCCNC(=O)C[N@@H+]2CCC[C@@H]2C)cc1 ZINC001179580571 1386521401 /nfs/dbraw/zinc/52/14/01/1386521401.db2.gz ISTNHXCCFFYTJX-IBGZPJMESA-N 2 1 345.531 3.246 20 0 EGADMP C[C@@H]([NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001179580664 1386522438 /nfs/dbraw/zinc/52/24/38/1386522438.db2.gz LSMLIWMLRJGVNG-RBUKOAKNSA-N 2 1 345.531 3.498 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001179580874 1386522686 /nfs/dbraw/zinc/52/26/86/1386522686.db2.gz UHKOTRDBYWYGRO-MOPGFXCFSA-N 2 1 339.568 3.419 20 0 EGADMP CC1CC(C[NH2+]CCCCCCNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001179592967 1386526263 /nfs/dbraw/zinc/52/62/63/1386526263.db2.gz SDULWCMKRHAKES-UHFFFAOYSA-N 2 1 337.552 3.031 20 0 EGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001320138099 1386532711 /nfs/dbraw/zinc/53/27/11/1386532711.db2.gz WVOGJYYMQRLXCC-GVDBMIGSSA-N 2 1 339.524 3.238 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001179719343 1386564156 /nfs/dbraw/zinc/56/41/56/1386564156.db2.gz BYQZRZBDOGINGO-OIIZEAPSSA-N 2 1 346.519 3.297 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC/C=C\c2ccccc2)[C@@H]1C ZINC001179860907 1386609814 /nfs/dbraw/zinc/60/98/14/1386609814.db2.gz AVNVZJOESRUKSS-KPHVFVAGSA-N 2 1 343.515 3.011 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001179989206 1386659583 /nfs/dbraw/zinc/65/95/83/1386659583.db2.gz UQZNZZLAKCEMRA-INIZCTEOSA-N 2 1 347.494 3.030 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccccc1C ZINC001179989283 1386659979 /nfs/dbraw/zinc/65/99/79/1386659979.db2.gz XOWFMISDIQODOM-UHFFFAOYSA-N 2 1 333.520 3.103 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCCCCCC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001180060684 1386683664 /nfs/dbraw/zinc/68/36/64/1386683664.db2.gz LNDBBVLTXBPBPV-GOSISDBHSA-N 2 1 349.563 3.175 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001180123208 1386704154 /nfs/dbraw/zinc/70/41/54/1386704154.db2.gz AVQOUQASXJPEAD-UHFFFAOYSA-N 2 1 327.557 3.421 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]C[C@H](C)CC(C)C ZINC001180124345 1386704459 /nfs/dbraw/zinc/70/44/59/1386704459.db2.gz VJSPAWBKFIKVJV-GOSISDBHSA-N 2 1 327.557 3.277 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CCC(C)C ZINC001180372652 1386777734 /nfs/dbraw/zinc/77/77/34/1386777734.db2.gz FXUOYQVREDZOEU-SFHVURJKSA-N 2 1 325.541 3.173 20 0 EGADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3CCCF)c2)CC1 ZINC001321267078 1386861592 /nfs/dbraw/zinc/86/15/92/1386861592.db2.gz HSLFKZHZDMUHAO-LEWJYISDSA-N 2 1 347.522 3.442 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@]1(C)C[NH2+]CCC1CCCCC1 ZINC001180899536 1386894489 /nfs/dbraw/zinc/89/44/89/1386894489.db2.gz OUNAMLSTTHDVSI-YFVAEKQCSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C)cc1Cl ZINC001181483885 1387002140 /nfs/dbraw/zinc/00/21/40/1387002140.db2.gz AXFQZDMLNQWPIP-SFHVURJKSA-N 2 1 337.939 3.496 20 0 EGADMP CCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001181727940 1387046672 /nfs/dbraw/zinc/04/66/72/1387046672.db2.gz GOTVCYYTUFFYBY-FUHIMQAGSA-N 2 1 346.519 3.025 20 0 EGADMP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181727897 1387046750 /nfs/dbraw/zinc/04/67/50/1387046750.db2.gz FLLAXNYOXGTZMP-SFHLNBCPSA-N 2 1 349.563 3.290 20 0 EGADMP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001181904737 1387074380 /nfs/dbraw/zinc/07/43/80/1387074380.db2.gz VDRJXIINGPKCMP-QWFCFKBJSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1cccc(C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001322156498 1387080243 /nfs/dbraw/zinc/08/02/43/1387080243.db2.gz KCOHTIFEPVEMCR-SFHVURJKSA-N 2 1 345.531 3.196 20 0 EGADMP Cc1nccn1-c1ccncc1NC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC001322159558 1387081790 /nfs/dbraw/zinc/08/17/90/1387081790.db2.gz YFBQCRVOUXOMMK-DYESRHJHSA-N 2 1 344.418 3.418 20 0 EGADMP C[C@@H](C[N@@H+](C)C/C=C\c1ccccc1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001322245113 1387118284 /nfs/dbraw/zinc/11/82/84/1387118284.db2.gz TXONASAQLWWWOC-GFBZKKKVSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@@H](C[NH+](C)C/C=C\c1ccccc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001322245113 1387118286 /nfs/dbraw/zinc/11/82/86/1387118286.db2.gz TXONASAQLWWWOC-GFBZKKKVSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@@H](C[NH+](C)C/C=C\c1ccccc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001322245113 1387118292 /nfs/dbraw/zinc/11/82/92/1387118292.db2.gz TXONASAQLWWWOC-GFBZKKKVSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1cc(C[N@@H+](C)C[C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)cs1 ZINC001322257076 1387123304 /nfs/dbraw/zinc/12/33/04/1387123304.db2.gz CVMITOPDXQCJFE-AWEZNQCLSA-N 2 1 348.516 3.013 20 0 EGADMP Cc1cc(C[N@H+](C)C[C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)cs1 ZINC001322257076 1387123305 /nfs/dbraw/zinc/12/33/05/1387123305.db2.gz CVMITOPDXQCJFE-AWEZNQCLSA-N 2 1 348.516 3.013 20 0 EGADMP C[NH+](C)C1(C(=O)Nc2cccc3c2C[N@H+](C)C[C@H]3c2ccccc2)CC1 ZINC001182597183 1387194251 /nfs/dbraw/zinc/19/42/51/1387194251.db2.gz MAPXFKWMKASOEH-SFHVURJKSA-N 2 1 349.478 3.297 20 0 EGADMP C[NH+](C)C1(C(=O)Nc2cccc3c2C[N@@H+](C)C[C@H]3c2ccccc2)CC1 ZINC001182597183 1387194253 /nfs/dbraw/zinc/19/42/53/1387194253.db2.gz MAPXFKWMKASOEH-SFHVURJKSA-N 2 1 349.478 3.297 20 0 EGADMP CCn1cc(C[N@H+](C)C2CCN(Cc3ccccc3)CC2)c(C)n1 ZINC001336685788 1389134657 /nfs/dbraw/zinc/13/46/57/1389134657.db2.gz KGSWCNBBXXUQKP-UHFFFAOYSA-N 2 1 326.488 3.308 20 0 EGADMP CCn1cc(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)c(C)n1 ZINC001336685788 1389134659 /nfs/dbraw/zinc/13/46/59/1389134659.db2.gz KGSWCNBBXXUQKP-UHFFFAOYSA-N 2 1 326.488 3.308 20 0 EGADMP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)CC1CCCCCC1 ZINC001329586609 1389167627 /nfs/dbraw/zinc/16/76/27/1389167627.db2.gz DRFYWJSCYZFLQO-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC001336785281 1389168838 /nfs/dbraw/zinc/16/88/38/1389168838.db2.gz NHODQVDIIWQYTK-BLLLJJGKSA-N 2 1 328.859 3.223 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cnc(CC(F)(F)F)s3)C[C@@H]2C1 ZINC001336889352 1389197477 /nfs/dbraw/zinc/19/74/77/1389197477.db2.gz SLJNQCLXICCDJN-RWMBFGLXSA-N 2 1 347.450 3.410 20 0 EGADMP Cc1nn(C)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001330155330 1389317746 /nfs/dbraw/zinc/31/77/46/1389317746.db2.gz UPHSCWATSHVBQK-SEJPIABJSA-N 2 1 338.499 3.404 20 0 EGADMP Cc1nn(C)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001330155330 1389317753 /nfs/dbraw/zinc/31/77/53/1389317753.db2.gz UPHSCWATSHVBQK-SEJPIABJSA-N 2 1 338.499 3.404 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC001330935561 1389570086 /nfs/dbraw/zinc/57/00/86/1389570086.db2.gz QBLJZKGAEQURGL-UTKZUKDTSA-N 2 1 349.478 3.126 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001331031749 1389603325 /nfs/dbraw/zinc/60/33/25/1389603325.db2.gz ZHYZLBMBELSFHV-MJGOQNOKSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@@H](C)C[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001331031749 1389603331 /nfs/dbraw/zinc/60/33/31/1389603331.db2.gz ZHYZLBMBELSFHV-MJGOQNOKSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@@H](C)C[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001331031749 1389603333 /nfs/dbraw/zinc/60/33/33/1389603333.db2.gz ZHYZLBMBELSFHV-MJGOQNOKSA-N 2 1 337.552 3.076 20 0 EGADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001333839731 1390419565 /nfs/dbraw/zinc/41/95/65/1390419565.db2.gz BWMUIOSBKDINJP-OFQRWUPVSA-N 2 1 346.906 3.389 20 0 EGADMP CC(C)c1[nH+]ccn1CC[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC001346122130 1390909034 /nfs/dbraw/zinc/90/90/34/1390909034.db2.gz CNQVACIZJNHYPQ-UHFFFAOYSA-N 2 1 334.851 3.278 20 0 EGADMP Cc1ccccc1NC(=[NH2+])NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001349910302 1391384029 /nfs/dbraw/zinc/38/40/29/1391384029.db2.gz APSHASLNACQAAG-LJQANCHMSA-N 2 1 336.483 3.496 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC[NH2+]C(C)(C)C ZINC001350349880 1391451527 /nfs/dbraw/zinc/45/15/27/1391451527.db2.gz ZLNQATXTBYWSJO-QGZVFWFLSA-N 2 1 345.531 3.455 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)C1)CC(C)(C)C ZINC001479910338 1392478042 /nfs/dbraw/zinc/47/80/42/1392478042.db2.gz RXAXJZKZXNSARS-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)C1)CC(C)(C)C ZINC001479910338 1392478040 /nfs/dbraw/zinc/47/80/40/1392478040.db2.gz RXAXJZKZXNSARS-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)C1)CC(C)(C)C ZINC001479910338 1392478044 /nfs/dbraw/zinc/47/80/44/1392478044.db2.gz RXAXJZKZXNSARS-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC(C)(C)C ZINC001480320681 1392680949 /nfs/dbraw/zinc/68/09/49/1392680949.db2.gz YDJYXSRYBRDXDP-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCC(C)(C)C ZINC001480320681 1392680952 /nfs/dbraw/zinc/68/09/52/1392680952.db2.gz YDJYXSRYBRDXDP-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCC(C)(C)C ZINC001480320681 1392680969 /nfs/dbraw/zinc/68/09/69/1392680969.db2.gz YDJYXSRYBRDXDP-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC(C)(C)C ZINC001480320683 1392681237 /nfs/dbraw/zinc/68/12/37/1392681237.db2.gz YDJYXSRYBRDXDP-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC(C)(C)C ZINC001480320683 1392681240 /nfs/dbraw/zinc/68/12/40/1392681240.db2.gz YDJYXSRYBRDXDP-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCC(C)(C)C ZINC001480320683 1392681242 /nfs/dbraw/zinc/68/12/42/1392681242.db2.gz YDJYXSRYBRDXDP-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1)CC(C)(C)C ZINC001480324933 1392684943 /nfs/dbraw/zinc/68/49/43/1392684943.db2.gz JLEWSUHEODHJTR-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)CC(C)(C)C ZINC001480324933 1392684944 /nfs/dbraw/zinc/68/49/44/1392684944.db2.gz JLEWSUHEODHJTR-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)CC(C)(C)C ZINC001480324933 1392684945 /nfs/dbraw/zinc/68/49/45/1392684945.db2.gz JLEWSUHEODHJTR-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP C[NH+]1CCC(CC(=O)NC[C@H]2CCCC[N@H+]2CCC2CCCC2)CC1 ZINC001480328480 1392687908 /nfs/dbraw/zinc/68/79/08/1392687908.db2.gz UKMATZBDUCLHON-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001480624563 1392827857 /nfs/dbraw/zinc/82/78/57/1392827857.db2.gz HIPHKNCOTFPFJU-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480734093 1392898600 /nfs/dbraw/zinc/89/86/00/1392898600.db2.gz YPLYFGAEIQBDNN-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480945946 1393040345 /nfs/dbraw/zinc/04/03/45/1393040345.db2.gz GOMKGGFXNIJXKF-WMZOPIPTSA-N 2 1 345.531 3.045 20 0 EGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480945946 1393040346 /nfs/dbraw/zinc/04/03/46/1393040346.db2.gz GOMKGGFXNIJXKF-WMZOPIPTSA-N 2 1 345.531 3.045 20 0 EGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480945946 1393040348 /nfs/dbraw/zinc/04/03/48/1393040348.db2.gz GOMKGGFXNIJXKF-WMZOPIPTSA-N 2 1 345.531 3.045 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001490561022 1394261065 /nfs/dbraw/zinc/26/10/65/1394261065.db2.gz MLTQIPDKBYHULR-MOPGFXCFSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001490561022 1394261072 /nfs/dbraw/zinc/26/10/72/1394261072.db2.gz MLTQIPDKBYHULR-MOPGFXCFSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001490561022 1394261076 /nfs/dbraw/zinc/26/10/76/1394261076.db2.gz MLTQIPDKBYHULR-MOPGFXCFSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001481528563 1394382125 /nfs/dbraw/zinc/38/21/25/1394382125.db2.gz UNIPYOWNEMIZFE-PKOBYXMFSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001481528563 1394382128 /nfs/dbraw/zinc/38/21/28/1394382128.db2.gz UNIPYOWNEMIZFE-PKOBYXMFSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001481528563 1394382134 /nfs/dbraw/zinc/38/21/34/1394382134.db2.gz UNIPYOWNEMIZFE-PKOBYXMFSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1)[NH+](C)C ZINC001481528708 1394382990 /nfs/dbraw/zinc/38/29/90/1394382990.db2.gz ZFVIJZBTMILMJW-KFKAGJAMSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2)C1)[NH+](C)C ZINC001481528708 1394382995 /nfs/dbraw/zinc/38/29/95/1394382995.db2.gz ZFVIJZBTMILMJW-KFKAGJAMSA-N 2 1 349.494 3.054 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCCc2ccccc21 ZINC001482356449 1394919236 /nfs/dbraw/zinc/91/92/36/1394919236.db2.gz NSOMWAWGQADLEU-XLIONFOSSA-N 2 1 345.531 3.232 20 0 EGADMP C[N@@H+](CCC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1)CC1CC1 ZINC001482504270 1395057651 /nfs/dbraw/zinc/05/76/51/1395057651.db2.gz HJNABDVOJJXROP-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC2CC2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001483907975 1395139275 /nfs/dbraw/zinc/13/92/75/1395139275.db2.gz DXROXMOYNVAJGM-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CC2CC2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001483907977 1395139303 /nfs/dbraw/zinc/13/93/03/1395139303.db2.gz DXROXMOYNVAJGM-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCC2(C)CC[NH+](CC3CCCCC3)CC2)C1 ZINC001484142388 1395278683 /nfs/dbraw/zinc/27/86/83/1395278683.db2.gz ZHTDMFONKWLZQP-SFHVURJKSA-N 2 1 349.563 3.127 20 0 EGADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)Cc1cccc2ccccc21 ZINC001485346219 1395817401 /nfs/dbraw/zinc/81/74/01/1395817401.db2.gz RKPAZTJGEPRPST-QGZVFWFLSA-N 2 1 341.499 3.118 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001687428820 1396370349 /nfs/dbraw/zinc/37/03/49/1396370349.db2.gz SBFKYABRTCDBRO-PMACEKPBSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001687428820 1396370355 /nfs/dbraw/zinc/37/03/55/1396370355.db2.gz SBFKYABRTCDBRO-PMACEKPBSA-N 2 1 343.515 3.155 20 0 EGADMP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@@H+](CCC3CCCCCC3)C2)CCC1 ZINC001494271851 1396415384 /nfs/dbraw/zinc/41/53/84/1396415384.db2.gz ROULTRONKUBDDT-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001494321767 1396431012 /nfs/dbraw/zinc/43/10/12/1396431012.db2.gz NXKFVMHHDKHNOS-VOFKWLDRSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C1CCCCC1 ZINC001496323251 1396649712 /nfs/dbraw/zinc/64/97/12/1396649712.db2.gz KRIIRZONCPVYKK-KRWDZBQOSA-N 2 1 334.508 3.070 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001699010994 1406840708 /nfs/dbraw/zinc/84/07/08/1406840708.db2.gz JHOSDRIZXDELBF-QGZVFWFLSA-N 2 1 349.494 3.153 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001690049233 1404281909 /nfs/dbraw/zinc/28/19/09/1404281909.db2.gz IMDKIFGLILWRIA-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CCC[NH+](C)C)cc1C ZINC001690453007 1404579469 /nfs/dbraw/zinc/57/94/69/1404579469.db2.gz PSYUUDQUOOBRNF-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001725176229 1425692889 /nfs/dbraw/zinc/69/28/89/1425692889.db2.gz YDCCUSJRTURVDM-QZTJIDSGSA-N 2 1 343.515 3.121 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001690815717 1404750512 /nfs/dbraw/zinc/75/05/12/1404750512.db2.gz WYYMAAUSZZFBIG-ROUUACIJSA-N 2 1 325.541 3.076 20 0 EGADMP CCC(CC)C[N@H+](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001690822937 1404759289 /nfs/dbraw/zinc/75/92/89/1404759289.db2.gz OSVYFHBOUDNNDL-IBGZPJMESA-N 2 1 348.535 3.331 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001690822937 1404759291 /nfs/dbraw/zinc/75/92/91/1404759291.db2.gz OSVYFHBOUDNNDL-IBGZPJMESA-N 2 1 348.535 3.331 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001690942003 1404849241 /nfs/dbraw/zinc/84/92/41/1404849241.db2.gz PTJWJDXRYQIMBB-MOPGFXCFSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001690942003 1404849247 /nfs/dbraw/zinc/84/92/47/1404849247.db2.gz PTJWJDXRYQIMBB-MOPGFXCFSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001690942003 1404849253 /nfs/dbraw/zinc/84/92/53/1404849253.db2.gz PTJWJDXRYQIMBB-MOPGFXCFSA-N 2 1 331.504 3.059 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001690970821 1404877573 /nfs/dbraw/zinc/87/75/73/1404877573.db2.gz LMLRXAPRNFXYRX-FUHWJXTLSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001690970821 1404877576 /nfs/dbraw/zinc/87/75/76/1404877576.db2.gz LMLRXAPRNFXYRX-FUHWJXTLSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001690970821 1404877582 /nfs/dbraw/zinc/87/75/82/1404877582.db2.gz LMLRXAPRNFXYRX-FUHWJXTLSA-N 2 1 349.494 3.057 20 0 EGADMP CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccc(C(C)C)cc1 ZINC001691766953 1405479552 /nfs/dbraw/zinc/47/95/52/1405479552.db2.gz IGAVCAOODBYONN-IBGZPJMESA-N 2 1 331.504 3.061 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001691790269 1405499467 /nfs/dbraw/zinc/49/94/67/1405499467.db2.gz NMICQTXMTXSUQU-IYARVYRRSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)C[N@@H+](C)CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001692023091 1405741530 /nfs/dbraw/zinc/74/15/30/1405741530.db2.gz NNGVBUKTSDADIR-UHFFFAOYSA-N 2 1 345.531 3.188 20 0 EGADMP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001698588224 1406207383 /nfs/dbraw/zinc/20/73/83/1406207383.db2.gz NZWOJONZTUGJPN-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001698588224 1406207386 /nfs/dbraw/zinc/20/73/86/1406207386.db2.gz NZWOJONZTUGJPN-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001698588224 1406207388 /nfs/dbraw/zinc/20/73/88/1406207388.db2.gz NZWOJONZTUGJPN-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001699487908 1412884446 /nfs/dbraw/zinc/88/44/46/1412884446.db2.gz WGZBUNQVMAKXEW-MOPGFXCFSA-N 2 1 346.519 3.036 20 0 EGADMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)Cc1ccccc1 ZINC001699679396 1413073876 /nfs/dbraw/zinc/07/38/76/1413073876.db2.gz COTGDCFGNXGFTN-IHWFROFDSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001699679396 1413073877 /nfs/dbraw/zinc/07/38/77/1413073877.db2.gz COTGDCFGNXGFTN-IHWFROFDSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001699862418 1413297712 /nfs/dbraw/zinc/29/77/12/1413297712.db2.gz VKFXIXOYHIODSC-SFHVURJKSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C)cc2C)CC1)[NH+](C)C ZINC001700200365 1413644361 /nfs/dbraw/zinc/64/43/61/1413644361.db2.gz GSQRVCQARIWTNH-VQTJNVASSA-N 2 1 345.531 3.114 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCCCC1 ZINC001700528254 1414192720 /nfs/dbraw/zinc/19/27/20/1414192720.db2.gz CWUYFNXIWBMLMX-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001700555195 1414225110 /nfs/dbraw/zinc/22/51/10/1414225110.db2.gz PKRNGKVMNSTFGR-MSOLQXFVSA-N 2 1 345.531 3.224 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC([C@@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001700556133 1414226488 /nfs/dbraw/zinc/22/64/88/1414226488.db2.gz XSDWQUUDUXYHSX-DNVCBOLYSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)CC2CCCCCC2)CC1 ZINC001700698553 1414359670 /nfs/dbraw/zinc/35/96/70/1414359670.db2.gz ZSLGMLRNWPWNBV-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@H+](C)CC2CCCCCC2)CC1 ZINC001700698553 1414359672 /nfs/dbraw/zinc/35/96/72/1414359672.db2.gz ZSLGMLRNWPWNBV-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](C)CC2CCCCCC2)CC1 ZINC001700698553 1414359677 /nfs/dbraw/zinc/35/96/77/1414359677.db2.gz ZSLGMLRNWPWNBV-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(CC)cc2)C[C@@H]1C ZINC001700852349 1414500317 /nfs/dbraw/zinc/50/03/17/1414500317.db2.gz VQPJYCPUWVFUBZ-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001732744873 1428942726 /nfs/dbraw/zinc/94/27/26/1428942726.db2.gz GRNGFNLAFGBVHX-DNVCBOLYSA-N 2 1 349.494 3.029 20 0 EGADMP C[NH+](C)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1 ZINC001713179220 1417753005 /nfs/dbraw/zinc/75/30/05/1417753005.db2.gz IOWDLNXHFHPMBR-IHWFROFDSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CCC[NH+](CCCC(C)(C)C)C1)C1CCC1 ZINC001713216096 1417791453 /nfs/dbraw/zinc/79/14/53/1417791453.db2.gz YMJKQBPQDJBMGE-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCC[N@H+](CCCC(C)(C)C)C1)C1CCC1 ZINC001713216096 1417791456 /nfs/dbraw/zinc/79/14/56/1417791456.db2.gz YMJKQBPQDJBMGE-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1)C1CCC1 ZINC001713216096 1417791463 /nfs/dbraw/zinc/79/14/63/1417791463.db2.gz YMJKQBPQDJBMGE-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001713625527 1418398940 /nfs/dbraw/zinc/39/89/40/1418398940.db2.gz AFEAAKWCMRUNNL-AEFFLSMTSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001713759286 1418566475 /nfs/dbraw/zinc/56/64/75/1418566475.db2.gz JUFDOVROXSXXON-OALUTQOASA-N 2 1 345.531 3.178 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001713759286 1418566478 /nfs/dbraw/zinc/56/64/78/1418566478.db2.gz JUFDOVROXSXXON-OALUTQOASA-N 2 1 345.531 3.178 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001713759286 1418566481 /nfs/dbraw/zinc/56/64/81/1418566481.db2.gz JUFDOVROXSXXON-OALUTQOASA-N 2 1 345.531 3.178 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001713804935 1418617761 /nfs/dbraw/zinc/61/77/61/1418617761.db2.gz UOIAXYPIEQDQAS-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001713838379 1418635774 /nfs/dbraw/zinc/63/57/74/1418635774.db2.gz GAKBJICOWULAJP-VQTJNVASSA-N 2 1 343.515 3.204 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC001714277982 1419058581 /nfs/dbraw/zinc/05/85/81/1419058581.db2.gz GAFPNQFURZFMHH-QGZVFWFLSA-N 2 1 348.535 3.461 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001714330737 1419110066 /nfs/dbraw/zinc/11/00/66/1419110066.db2.gz BHQCRNLKDHXXEP-UHFFFAOYSA-N 2 1 345.531 3.055 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001714334914 1419113418 /nfs/dbraw/zinc/11/34/18/1419113418.db2.gz XMBXJBJBEVDMCX-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001714493503 1419216967 /nfs/dbraw/zinc/21/69/67/1419216967.db2.gz VMBCUJBOFIBUKR-KZNAEPCWSA-N 2 1 337.552 3.027 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+][C@@H](C)c2ccccc2C)CCCC1 ZINC001714509311 1419236470 /nfs/dbraw/zinc/23/64/70/1419236470.db2.gz HTJJODSQWJBNDF-SFHVURJKSA-N 2 1 345.531 3.416 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1c(C)cc(C)cc1C ZINC001714546553 1419272810 /nfs/dbraw/zinc/27/28/10/1419272810.db2.gz KSCOLQGTUPXAGI-FQEVSTJZSA-N 2 1 345.531 3.034 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1c(C)cc(C)cc1C ZINC001714546553 1419272812 /nfs/dbraw/zinc/27/28/12/1419272812.db2.gz KSCOLQGTUPXAGI-FQEVSTJZSA-N 2 1 345.531 3.034 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1c(C)cc(C)cc1C ZINC001714546553 1419272815 /nfs/dbraw/zinc/27/28/15/1419272815.db2.gz KSCOLQGTUPXAGI-FQEVSTJZSA-N 2 1 345.531 3.034 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)CCNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001714569552 1419299220 /nfs/dbraw/zinc/29/92/20/1419299220.db2.gz NTPPAEGTQBSYGI-SFHVURJKSA-N 2 1 345.531 3.224 20 0 EGADMP CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001714904574 1419646825 /nfs/dbraw/zinc/64/68/25/1419646825.db2.gz GRTJWICYRXARRG-VQTJNVASSA-N 2 1 345.531 3.086 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(CC)[C@H]1CC[NH+](Cc2ccccc2C)C1 ZINC001715047327 1419788154 /nfs/dbraw/zinc/78/81/54/1419788154.db2.gz PWTFODZTPZWBQH-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001715047327 1419788156 /nfs/dbraw/zinc/78/81/56/1419788156.db2.gz PWTFODZTPZWBQH-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001715047327 1419788157 /nfs/dbraw/zinc/78/81/57/1419788157.db2.gz PWTFODZTPZWBQH-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC2CCC(C)(C)CC2)CCCC1 ZINC001715087852 1419827802 /nfs/dbraw/zinc/82/78/02/1419827802.db2.gz CXTCOCDFFPHFJN-GOSISDBHSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001715189375 1419921163 /nfs/dbraw/zinc/92/11/63/1419921163.db2.gz FEWMDJVGBXARMN-MXVIHJGJSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001715384420 1420081141 /nfs/dbraw/zinc/08/11/41/1420081141.db2.gz IJIWQSPANDUCLF-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1ccc(C[NH+](C)CCN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001715519608 1420205919 /nfs/dbraw/zinc/20/59/19/1420205919.db2.gz HQBYLOQPYCSOSB-HXUWFJFHSA-N 2 1 345.531 3.066 20 0 EGADMP Cc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCC[NH+]2C(C)C)c(C)c1 ZINC001715519608 1420205921 /nfs/dbraw/zinc/20/59/21/1420205921.db2.gz HQBYLOQPYCSOSB-HXUWFJFHSA-N 2 1 345.531 3.066 20 0 EGADMP Cc1ccc(C[N@H+](C)CCN(C)C(=O)[C@H]2CCC[NH+]2C(C)C)c(C)c1 ZINC001715519608 1420205923 /nfs/dbraw/zinc/20/59/23/1420205923.db2.gz HQBYLOQPYCSOSB-HXUWFJFHSA-N 2 1 345.531 3.066 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001715530962 1420221194 /nfs/dbraw/zinc/22/11/94/1420221194.db2.gz OLYDBXSYCQZTSJ-SFHVURJKSA-N 2 1 349.494 3.009 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001715568539 1420257636 /nfs/dbraw/zinc/25/76/36/1420257636.db2.gz XZDBZVYIBCGJJT-VQTJNVASSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715959159 1420425554 /nfs/dbraw/zinc/42/55/54/1420425554.db2.gz UXWRGKHFJJZEGG-RTBURBONSA-N 2 1 339.568 3.323 20 0 EGADMP CC(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001716065135 1420523785 /nfs/dbraw/zinc/52/37/85/1420523785.db2.gz JHVGUIXETYNKHC-PKOBYXMFSA-N 2 1 337.552 3.172 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccccc1C ZINC001716456781 1420671078 /nfs/dbraw/zinc/67/10/78/1420671078.db2.gz YYUAPSJNRMHQNJ-DLBZAZTESA-N 2 1 342.487 3.136 20 0 EGADMP C[C@@H](C[N@@H+](C)CCC1CCCCCC1)NC(=O)CCc1cncn1C ZINC001716503768 1420733601 /nfs/dbraw/zinc/73/36/01/1420733601.db2.gz XAKZUELYCSUCFR-KRWDZBQOSA-N 2 1 348.535 3.150 20 0 EGADMP CCCC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CCCCCC1 ZINC001716712843 1420865583 /nfs/dbraw/zinc/86/55/83/1420865583.db2.gz ARIMUUZEUXGSSQ-UHFFFAOYSA-N 2 1 337.552 3.412 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001716850975 1420981360 /nfs/dbraw/zinc/98/13/60/1420981360.db2.gz TUAHQADOAISUCJ-NRFANRHFSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001716850975 1420981362 /nfs/dbraw/zinc/98/13/62/1420981362.db2.gz TUAHQADOAISUCJ-NRFANRHFSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001716850975 1420981366 /nfs/dbraw/zinc/98/13/66/1420981366.db2.gz TUAHQADOAISUCJ-NRFANRHFSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](CC[NH2+][C@H](C)c2ccccc2C)C1 ZINC001717106480 1421112457 /nfs/dbraw/zinc/11/24/57/1421112457.db2.gz AROUOZASQGCMPS-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CCCC(C)(C)C)CC1(C)C)[NH+](C)C ZINC001717311733 1421256252 /nfs/dbraw/zinc/25/62/52/1421256252.db2.gz GQLGCAURMUBERZ-IAGOWNOFSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CCCCCC2)[C@H](C)C1 ZINC001717335021 1421272071 /nfs/dbraw/zinc/27/20/71/1421272071.db2.gz CMSAVNKPALKHRF-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)[C@H](C)C1 ZINC001717335021 1421272074 /nfs/dbraw/zinc/27/20/74/1421272074.db2.gz CMSAVNKPALKHRF-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)[C@H](C)C1 ZINC001717335021 1421272076 /nfs/dbraw/zinc/27/20/76/1421272076.db2.gz CMSAVNKPALKHRF-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001717337346 1421274829 /nfs/dbraw/zinc/27/48/29/1421274829.db2.gz WIFIAMDKIJSVPK-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H]2C)cs1 ZINC001717852715 1421664240 /nfs/dbraw/zinc/66/42/40/1421664240.db2.gz DTUTWBGCNCPGLM-MAUKXSAKSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H]2C)cs1 ZINC001717852715 1421664242 /nfs/dbraw/zinc/66/42/42/1421664242.db2.gz DTUTWBGCNCPGLM-MAUKXSAKSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H]2C)cs1 ZINC001717852715 1421664247 /nfs/dbraw/zinc/66/42/47/1421664247.db2.gz DTUTWBGCNCPGLM-MAUKXSAKSA-N 2 1 349.544 3.010 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001724172519 1424706304 /nfs/dbraw/zinc/70/63/04/1424706304.db2.gz BPYBLDQPONKZJM-ICSRJNTNSA-N 2 1 343.515 3.060 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCC1(C)CC[NH+](CCCC(C)(C)C)CC1 ZINC001724306324 1424788424 /nfs/dbraw/zinc/78/84/24/1424788424.db2.gz BDVMMHCLZSNYKX-UHFFFAOYSA-N 2 1 348.535 3.236 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001724839074 1425187210 /nfs/dbraw/zinc/18/72/10/1425187210.db2.gz QZAOFWZQWJYSMI-PKOBYXMFSA-N 2 1 343.515 3.203 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@@H+](CCCC3CCCC3)CC2)CC1 ZINC001724840467 1425189812 /nfs/dbraw/zinc/18/98/12/1425189812.db2.gz FQVUCPPSFDACGC-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCc1ccccc1C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001725003203 1425414752 /nfs/dbraw/zinc/41/47/52/1425414752.db2.gz OLOZLTQJONPWLJ-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CCCC1CCCC1 ZINC001725004136 1425416458 /nfs/dbraw/zinc/41/64/58/1425416458.db2.gz UOZQRODXLWYEGG-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001725030924 1425450331 /nfs/dbraw/zinc/45/03/31/1425450331.db2.gz NXMSSBNPBYHDGJ-HKVCONOFSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001731354861 1427295111 /nfs/dbraw/zinc/29/51/11/1427295111.db2.gz CCEPKPSVCFBKQA-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001731354861 1427295114 /nfs/dbraw/zinc/29/51/14/1427295114.db2.gz CCEPKPSVCFBKQA-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001731354861 1427295117 /nfs/dbraw/zinc/29/51/17/1427295117.db2.gz CCEPKPSVCFBKQA-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001731697612 1427748644 /nfs/dbraw/zinc/74/86/44/1427748644.db2.gz LPOSKADJCXSTMS-ROUUACIJSA-N 2 1 348.535 3.460 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[C@@H]([N@@H+](C)CC3CCCCCC3)C2)CC1 ZINC001731717365 1427782919 /nfs/dbraw/zinc/78/29/19/1427782919.db2.gz XQYLJJFOGMKMSK-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](CCNC(=O)C1(C[NH+](C)C)CCCCC1)Cc1ccccc1 ZINC001731807672 1427982518 /nfs/dbraw/zinc/98/25/18/1427982518.db2.gz HDUFTXLHOAUULJ-UHFFFAOYSA-N 2 1 345.531 3.137 20 0 EGADMP CC1CC(C[NH2+]C2(CNC(=O)CC[N@@H+](C)C3CCCCC3)CCC2)C1 ZINC001733719981 1429941046 /nfs/dbraw/zinc/94/10/46/1429941046.db2.gz KDDVJFLSUUVMFI-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP Cc1ccccc1C[N@H+](C)CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001733779440 1430036969 /nfs/dbraw/zinc/03/69/69/1430036969.db2.gz NHRAGFNCZSSPAU-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP C[N@@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CCCC1CCCC1 ZINC001751997496 1440131786 /nfs/dbraw/zinc/13/17/86/1440131786.db2.gz JNKDEZSBWIXNOE-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)CCCC1CCCC1 ZINC001751997496 1440131787 /nfs/dbraw/zinc/13/17/87/1440131787.db2.gz JNKDEZSBWIXNOE-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)CCCC1CCCC1 ZINC001751997496 1440131788 /nfs/dbraw/zinc/13/17/88/1440131788.db2.gz JNKDEZSBWIXNOE-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[N@H+](C)CC1CCCCCC1 ZINC001752074251 1440138272 /nfs/dbraw/zinc/13/82/72/1440138272.db2.gz ZQLRGLRZOHZSRM-UHFFFAOYSA-N 2 1 348.535 3.415 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[N@@H+](C)CC1CCCCCC1 ZINC001752074251 1440138273 /nfs/dbraw/zinc/13/82/73/1440138273.db2.gz ZQLRGLRZOHZSRM-UHFFFAOYSA-N 2 1 348.535 3.415 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001752077162 1440138758 /nfs/dbraw/zinc/13/87/58/1440138758.db2.gz CPHUZPLXJYNBPI-INIZCTEOSA-N 2 1 349.494 3.057 20 0 EGADMP CCc1ccccc1C[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001752126038 1440143184 /nfs/dbraw/zinc/14/31/84/1440143184.db2.gz UCSMTQWBTAYPHN-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCc1ccccc1C[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001752126038 1440143185 /nfs/dbraw/zinc/14/31/85/1440143185.db2.gz UCSMTQWBTAYPHN-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCc1ccccc1C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001752126038 1440143186 /nfs/dbraw/zinc/14/31/86/1440143186.db2.gz UCSMTQWBTAYPHN-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP C[C@@H](C(=O)NCCC[N@@H+](CC1CC(C)C1)C1CC1)[NH+]1CCCCCC1 ZINC001752279013 1440164345 /nfs/dbraw/zinc/16/43/45/1440164345.db2.gz NSUNZUDNIDSSME-XBMUEBEBSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001752545507 1440195150 /nfs/dbraw/zinc/19/51/50/1440195150.db2.gz WJFHXIVNKKDANU-ZCNNSNEGSA-N 2 1 349.563 3.362 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001752632744 1440197210 /nfs/dbraw/zinc/19/72/10/1440197210.db2.gz KDDBMOFYBFUMEG-ULQDDVLXSA-N 2 1 348.535 3.460 20 0 EGADMP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001752639523 1440197572 /nfs/dbraw/zinc/19/75/72/1440197572.db2.gz NYCVUWIHBMFBEC-CADBVGFASA-N 2 1 337.552 3.026 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCC3CCCC3)CC[C@@H]21 ZINC001752708145 1440203058 /nfs/dbraw/zinc/20/30/58/1440203058.db2.gz RMDVLKQAPIBKIR-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]2C[N@H+](CCC3CCCC3)CC[C@@H]21 ZINC001752708145 1440203059 /nfs/dbraw/zinc/20/30/59/1440203059.db2.gz RMDVLKQAPIBKIR-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]2C[N@@H+](CCC3CCCC3)CC[C@@H]21 ZINC001752708145 1440203060 /nfs/dbraw/zinc/20/30/60/1440203060.db2.gz RMDVLKQAPIBKIR-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCCC1 ZINC001752820045 1440219901 /nfs/dbraw/zinc/21/99/01/1440219901.db2.gz ICGXKYFINVLTKC-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)(C(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCC1)[NH+]1CCCC1 ZINC001752826805 1440223897 /nfs/dbraw/zinc/22/38/97/1440223897.db2.gz CXVHWTBTSBWBGJ-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](Cc1ccccc1)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001752997814 1440262946 /nfs/dbraw/zinc/26/29/46/1440262946.db2.gz XYTLRCQJRSYFDV-IBGZPJMESA-N 2 1 345.531 3.087 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1)CC(C)(C)C ZINC001752997814 1440262947 /nfs/dbraw/zinc/26/29/47/1440262947.db2.gz XYTLRCQJRSYFDV-IBGZPJMESA-N 2 1 345.531 3.087 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)C1)CC(C)(C)C ZINC001752997814 1440262948 /nfs/dbraw/zinc/26/29/48/1440262948.db2.gz XYTLRCQJRSYFDV-IBGZPJMESA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001752999987 1440264253 /nfs/dbraw/zinc/26/42/53/1440264253.db2.gz LMEUVADMQIVKJA-UXHICEINSA-N 2 1 343.515 3.178 20 0 EGADMP CC(C)=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001752999987 1440264254 /nfs/dbraw/zinc/26/42/54/1440264254.db2.gz LMEUVADMQIVKJA-UXHICEINSA-N 2 1 343.515 3.178 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001753038694 1440275422 /nfs/dbraw/zinc/27/54/22/1440275422.db2.gz WMOLJFCPVXADGU-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001753061328 1440283508 /nfs/dbraw/zinc/28/35/08/1440283508.db2.gz GMAVUIDMULZGFH-VDZJLULYSA-N 2 1 349.494 3.055 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753061328 1440283509 /nfs/dbraw/zinc/28/35/09/1440283509.db2.gz GMAVUIDMULZGFH-VDZJLULYSA-N 2 1 349.494 3.055 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001753061328 1440283510 /nfs/dbraw/zinc/28/35/10/1440283510.db2.gz GMAVUIDMULZGFH-VDZJLULYSA-N 2 1 349.494 3.055 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCC[N@H+](C)CCCC(C)(C)C)c1ccccc1 ZINC001753074868 1440290705 /nfs/dbraw/zinc/29/07/05/1440290705.db2.gz UOHQYEKNXUGUOE-GOSISDBHSA-N 2 1 333.520 3.164 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCC[N@@H+](C)CCCC(C)(C)C)c1ccccc1 ZINC001753074868 1440290706 /nfs/dbraw/zinc/29/07/06/1440290706.db2.gz UOHQYEKNXUGUOE-GOSISDBHSA-N 2 1 333.520 3.164 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](CC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001753091135 1440299263 /nfs/dbraw/zinc/29/92/63/1440299263.db2.gz JQTRBPVEJBZVOK-HXUWFJFHSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)[C@@H](C)c1ccccc1 ZINC001753145261 1440324005 /nfs/dbraw/zinc/32/40/05/1440324005.db2.gz BJQBDXGRSKUNTB-SFHVURJKSA-N 2 1 343.515 3.204 20 0 EGADMP CCC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001753146022 1440324519 /nfs/dbraw/zinc/32/45/19/1440324519.db2.gz FAXIFIBAZVHVTA-QRVBRYPASA-N 2 1 349.563 3.125 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCC[N@H+](CCC1CCCCCC1)C1CC1 ZINC001753162800 1440335120 /nfs/dbraw/zinc/33/51/20/1440335120.db2.gz JETHRYHEQSDCPP-UHFFFAOYSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](CCC1CCCCCC1)C1CC1 ZINC001753162800 1440335121 /nfs/dbraw/zinc/33/51/21/1440335121.db2.gz JETHRYHEQSDCPP-UHFFFAOYSA-N 2 1 346.519 3.133 20 0 EGADMP CC(C)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001753313245 1440357870 /nfs/dbraw/zinc/35/78/70/1440357870.db2.gz WGEOAGKOZCCNML-WOJBJXKFSA-N 2 1 345.531 3.352 20 0 EGADMP CC1CC(C[N@H+]2CC[C@@H](CCNC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001753328678 1440368023 /nfs/dbraw/zinc/36/80/23/1440368023.db2.gz YHUHVTOHEHDADK-JLAWEPINSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001753334159 1440371265 /nfs/dbraw/zinc/37/12/65/1440371265.db2.gz CTWBUAAGRDGWHO-VQTJNVASSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001753334159 1440371266 /nfs/dbraw/zinc/37/12/66/1440371266.db2.gz CTWBUAAGRDGWHO-VQTJNVASSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001753334159 1440371267 /nfs/dbraw/zinc/37/12/67/1440371267.db2.gz CTWBUAAGRDGWHO-VQTJNVASSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001753335132 1440371840 /nfs/dbraw/zinc/37/18/40/1440371840.db2.gz JLZRGQCQLZXGGV-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001753335132 1440371841 /nfs/dbraw/zinc/37/18/41/1440371841.db2.gz JLZRGQCQLZXGGV-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001753335132 1440371842 /nfs/dbraw/zinc/37/18/42/1440371842.db2.gz JLZRGQCQLZXGGV-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001753349972 1440377416 /nfs/dbraw/zinc/37/74/16/1440377416.db2.gz ZTULUPNJVKZICM-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001753349972 1440377417 /nfs/dbraw/zinc/37/74/17/1440377417.db2.gz ZTULUPNJVKZICM-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001753349972 1440377418 /nfs/dbraw/zinc/37/74/18/1440377418.db2.gz ZTULUPNJVKZICM-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001753360359 1440382272 /nfs/dbraw/zinc/38/22/72/1440382272.db2.gz SNQKELPWQQBTPB-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP C[N@@H+](CCC1CCCCC1)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001753367407 1440386152 /nfs/dbraw/zinc/38/61/52/1440386152.db2.gz IPABUKBNIRCAME-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCC1CCCCC1)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001753367407 1440386153 /nfs/dbraw/zinc/38/61/53/1440386153.db2.gz IPABUKBNIRCAME-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCC1CCCCC1)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001753367407 1440386154 /nfs/dbraw/zinc/38/61/54/1440386154.db2.gz IPABUKBNIRCAME-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001753368564 1440386831 /nfs/dbraw/zinc/38/68/31/1440386831.db2.gz AGCRGOGGBGLWLT-KFKAGJAMSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001753368564 1440386832 /nfs/dbraw/zinc/38/68/32/1440386832.db2.gz AGCRGOGGBGLWLT-KFKAGJAMSA-N 2 1 349.494 3.054 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001753438440 1440400706 /nfs/dbraw/zinc/40/07/06/1440400706.db2.gz ZJCYCHJOLMQEPX-XSAZBNQGSA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001753438440 1440400707 /nfs/dbraw/zinc/40/07/07/1440400707.db2.gz ZJCYCHJOLMQEPX-XSAZBNQGSA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001753438440 1440400708 /nfs/dbraw/zinc/40/07/08/1440400708.db2.gz ZJCYCHJOLMQEPX-XSAZBNQGSA-N 2 1 335.536 3.138 20 0 EGADMP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C)cc1C ZINC001753477956 1440415693 /nfs/dbraw/zinc/41/56/93/1440415693.db2.gz RGTMSVRSDAKIPV-VQTJNVASSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H]([NH2+]CC1(NC(=O)C[N@@H+](C)C2CCC2)CCCC1)c1ccccc1 ZINC001753504028 1440423992 /nfs/dbraw/zinc/42/39/92/1440423992.db2.gz BJDXTSAIZBSRBS-QGZVFWFLSA-N 2 1 343.515 3.251 20 0 EGADMP CC[C@@H]([NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC001753511803 1440426232 /nfs/dbraw/zinc/42/62/32/1440426232.db2.gz MSBNCZUEMPMPQT-RBUKOAKNSA-N 2 1 343.515 3.108 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001753586527 1440441451 /nfs/dbraw/zinc/44/14/51/1440441451.db2.gz RPFGXEJPHUCZPN-MUGJNUQGSA-N 2 1 349.563 3.457 20 0 EGADMP CC(C)=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001753598522 1440445570 /nfs/dbraw/zinc/44/55/70/1440445570.db2.gz KNJXMAIQEBZVHM-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)C[N@@H+](C)Cc2ccccc2)CCCC1 ZINC001753670557 1440461902 /nfs/dbraw/zinc/46/19/02/1440461902.db2.gz FYSMCJRAWYLREF-UHFFFAOYSA-N 2 1 343.515 3.103 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)C[N@H+](C)Cc2ccccc2)CCCC1 ZINC001753670557 1440461903 /nfs/dbraw/zinc/46/19/03/1440461903.db2.gz FYSMCJRAWYLREF-UHFFFAOYSA-N 2 1 343.515 3.103 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1=CCCCC1 ZINC001753702135 1440468772 /nfs/dbraw/zinc/46/87/72/1440468772.db2.gz UUJIMLZKROUDGO-QUCCMNQESA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001753740725 1440479139 /nfs/dbraw/zinc/47/91/39/1440479139.db2.gz ZYYASLMLCNORIF-RTBURBONSA-N 2 1 337.552 3.336 20 0 EGADMP CCC(CC)C[NH2+]CC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001753788290 1440488521 /nfs/dbraw/zinc/48/85/21/1440488521.db2.gz ONBDSTUJOQQIBO-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCCC1CCC1 ZINC001753811948 1440492931 /nfs/dbraw/zinc/49/29/31/1440492931.db2.gz BWHPMBRRIKSENG-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CN(CC[N@@H+](C)CCC1=CCCCC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001753877551 1440519945 /nfs/dbraw/zinc/51/99/45/1440519945.db2.gz VYYQTQVKMNXQNI-WOJBJXKFSA-N 2 1 349.563 3.388 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001753891817 1440522140 /nfs/dbraw/zinc/52/21/40/1440522140.db2.gz PUXOYXMNJHBHBR-MOPGFXCFSA-N 2 1 346.519 3.036 20 0 EGADMP Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001754006772 1440530860 /nfs/dbraw/zinc/53/08/60/1440530860.db2.gz BGKVEKOWAAWSOA-UYAOXDASSA-N 2 1 345.531 3.242 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC1CCCCC1 ZINC001754213368 1440551425 /nfs/dbraw/zinc/55/14/25/1440551425.db2.gz LEPZQKXRTVFXLV-FQQSSWHASA-N 2 1 335.536 3.093 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001754313472 1440574309 /nfs/dbraw/zinc/57/43/09/1440574309.db2.gz WVWXZTRWPKXICV-DNVCBOLYSA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001754313472 1440574310 /nfs/dbraw/zinc/57/43/10/1440574310.db2.gz WVWXZTRWPKXICV-DNVCBOLYSA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001754313472 1440574311 /nfs/dbraw/zinc/57/43/11/1440574311.db2.gz WVWXZTRWPKXICV-DNVCBOLYSA-N 2 1 349.494 3.198 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001754318680 1440576911 /nfs/dbraw/zinc/57/69/11/1440576911.db2.gz ITHNSAICTCFOQY-UKRRQHHQSA-N 2 1 348.878 3.043 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001754318680 1440576912 /nfs/dbraw/zinc/57/69/12/1440576912.db2.gz ITHNSAICTCFOQY-UKRRQHHQSA-N 2 1 348.878 3.043 20 0 EGADMP O=C(N[C@@H](C[NH2+]CCC1CC1)C1CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001754449255 1440600582 /nfs/dbraw/zinc/60/05/82/1440600582.db2.gz NUFSDOQMGCPREI-PMACEKPBSA-N 2 1 347.547 3.068 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)[C@H](CC)C1 ZINC001754466792 1440604479 /nfs/dbraw/zinc/60/44/79/1440604479.db2.gz JCAHWGHSMRJHPU-UXHICEINSA-N 2 1 345.531 3.054 20 0 EGADMP CC1CCC(C[N@H+]2CC[C@@H]2CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001754502530 1440614987 /nfs/dbraw/zinc/61/49/87/1440614987.db2.gz KPAOSKYPQPEMIZ-SOAGJPPSSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1ccc(C[NH2+]C2(CNC(=O)C[N@H+](C)CC(C)(C)C)CC2)c(C)c1 ZINC001754525356 1440620860 /nfs/dbraw/zinc/62/08/60/1440620860.db2.gz NGNKKVIFDHVAJW-UHFFFAOYSA-N 2 1 345.531 3.020 20 0 EGADMP CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C ZINC001754543146 1440626568 /nfs/dbraw/zinc/62/65/68/1440626568.db2.gz SLDAVEPFWWNCKG-CEXWTWQISA-N 2 1 335.536 3.116 20 0 EGADMP CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001754543146 1440626569 /nfs/dbraw/zinc/62/65/69/1440626569.db2.gz SLDAVEPFWWNCKG-CEXWTWQISA-N 2 1 335.536 3.116 20 0 EGADMP CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C ZINC001754543146 1440626570 /nfs/dbraw/zinc/62/65/70/1440626570.db2.gz SLDAVEPFWWNCKG-CEXWTWQISA-N 2 1 335.536 3.116 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCCC(C)(C)C)C1 ZINC001754553860 1440630731 /nfs/dbraw/zinc/63/07/31/1440630731.db2.gz OUSIDBKWQCVTLR-GBESFXJTSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCCC(C)(C)C)C1 ZINC001754553860 1440630732 /nfs/dbraw/zinc/63/07/32/1440630732.db2.gz OUSIDBKWQCVTLR-GBESFXJTSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCCC(C)(C)C)C1 ZINC001754553860 1440630733 /nfs/dbraw/zinc/63/07/33/1440630733.db2.gz OUSIDBKWQCVTLR-GBESFXJTSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](CC(=O)N1CCC2(C1)CC[NH+](CC1CCC1)CC2)CC(C)(C)C ZINC001754561375 1440633913 /nfs/dbraw/zinc/63/39/13/1440633913.db2.gz RMYSZRMSAGVKAC-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001754630340 1440647537 /nfs/dbraw/zinc/64/75/37/1440647537.db2.gz XPXLJMFCECUPSX-LJQANCHMSA-N 2 1 345.531 3.449 20 0 EGADMP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCC1 ZINC001754650038 1440651634 /nfs/dbraw/zinc/65/16/34/1440651634.db2.gz MTSGSZCPTYYHSJ-LZQZEXGQSA-N 2 1 337.552 3.027 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001754661254 1440654829 /nfs/dbraw/zinc/65/48/29/1440654829.db2.gz ANXZZOLEPLGLHF-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001754673527 1440658819 /nfs/dbraw/zinc/65/88/19/1440658819.db2.gz BUSVQWXAMWWOLI-QYIKYWQXSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001754673527 1440658820 /nfs/dbraw/zinc/65/88/20/1440658820.db2.gz BUSVQWXAMWWOLI-QYIKYWQXSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001754673527 1440658821 /nfs/dbraw/zinc/65/88/21/1440658821.db2.gz BUSVQWXAMWWOLI-QYIKYWQXSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001754680114 1440661681 /nfs/dbraw/zinc/66/16/81/1440661681.db2.gz HDNBGUCQVWSFSR-VQIMIIECSA-N 2 1 349.544 3.093 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001754697630 1440667263 /nfs/dbraw/zinc/66/72/63/1440667263.db2.gz RAFOGBVUIXVFEO-TZIWHRDSSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCC2(C)CC[NH+](CCC3CCCC3)CC2)C1 ZINC001754720588 1440673083 /nfs/dbraw/zinc/67/30/83/1440673083.db2.gz QYOVIYWVFVRZOS-SFHVURJKSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001754727475 1440677160 /nfs/dbraw/zinc/67/71/60/1440677160.db2.gz MLBIJFOIVJIYNF-RXVVDRJESA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001754727475 1440677161 /nfs/dbraw/zinc/67/71/61/1440677161.db2.gz MLBIJFOIVJIYNF-RXVVDRJESA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001754727475 1440677162 /nfs/dbraw/zinc/67/71/62/1440677162.db2.gz MLBIJFOIVJIYNF-RXVVDRJESA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001754727764 1440677284 /nfs/dbraw/zinc/67/72/84/1440677284.db2.gz MRJWHIQIFONHQG-UYAOXDASSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001754727764 1440677285 /nfs/dbraw/zinc/67/72/85/1440677285.db2.gz MRJWHIQIFONHQG-UYAOXDASSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001754727764 1440677286 /nfs/dbraw/zinc/67/72/86/1440677286.db2.gz MRJWHIQIFONHQG-UYAOXDASSA-N 2 1 337.552 3.269 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@@]2(C)CCC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001754730932 1440679066 /nfs/dbraw/zinc/67/90/66/1440679066.db2.gz ZQEPAHCWOXBVPK-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001754838650 1440697328 /nfs/dbraw/zinc/69/73/28/1440697328.db2.gz MCLXYXFVXLSFBK-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CC1)C1CCCCC1 ZINC001754868758 1440704020 /nfs/dbraw/zinc/70/40/20/1440704020.db2.gz PUDAVQIXUXCEHB-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC1)C1CCCCC1 ZINC001754868758 1440704021 /nfs/dbraw/zinc/70/40/21/1440704021.db2.gz PUDAVQIXUXCEHB-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CC1)C1CCCCC1 ZINC001754868758 1440704022 /nfs/dbraw/zinc/70/40/22/1440704022.db2.gz PUDAVQIXUXCEHB-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001754914775 1440708435 /nfs/dbraw/zinc/70/84/35/1440708435.db2.gz MICNAKMUDRTDLQ-IEBWSBKVSA-N 2 1 349.563 3.124 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CCC[NH+](CC2CC2)CC1 ZINC001755026680 1440729214 /nfs/dbraw/zinc/72/92/14/1440729214.db2.gz UYSSGUJSPYRBGH-KRWDZBQOSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CCC[N@H+](CC2CC2)CC1 ZINC001755026680 1440729215 /nfs/dbraw/zinc/72/92/15/1440729215.db2.gz UYSSGUJSPYRBGH-KRWDZBQOSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC2CC2)CC1 ZINC001755026680 1440729216 /nfs/dbraw/zinc/72/92/16/1440729216.db2.gz UYSSGUJSPYRBGH-KRWDZBQOSA-N 2 1 335.536 3.020 20 0 EGADMP CC1(C)CC(C[N@H+]2CCC[C@@H](NC(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001755033761 1440733121 /nfs/dbraw/zinc/73/31/21/1440733121.db2.gz DQDMTURMSUNNBK-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001755041692 1440737732 /nfs/dbraw/zinc/73/77/32/1440737732.db2.gz CNHXITWRGHJOKQ-INIZCTEOSA-N 2 1 349.494 3.009 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001755043322 1440738962 /nfs/dbraw/zinc/73/89/62/1440738962.db2.gz RWZGIUNIKPIHOK-DLBZAZTESA-N 2 1 349.494 3.009 20 0 EGADMP C[C@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001755043322 1440738963 /nfs/dbraw/zinc/73/89/63/1440738963.db2.gz RWZGIUNIKPIHOK-DLBZAZTESA-N 2 1 349.494 3.009 20 0 EGADMP C[C@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001755043322 1440738964 /nfs/dbraw/zinc/73/89/64/1440738964.db2.gz RWZGIUNIKPIHOK-DLBZAZTESA-N 2 1 349.494 3.009 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[N@@H+](C)CCCC(C)(C)C ZINC001755047069 1440741879 /nfs/dbraw/zinc/74/18/79/1440741879.db2.gz DFNMLFTYBPRFGX-ROUUACIJSA-N 2 1 339.568 3.466 20 0 EGADMP CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001755144208 1440762623 /nfs/dbraw/zinc/76/26/23/1440762623.db2.gz YHSODENCIKQYMN-RTBURBONSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001755144208 1440762624 /nfs/dbraw/zinc/76/26/24/1440762624.db2.gz YHSODENCIKQYMN-RTBURBONSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CCC1CCCC1 ZINC001755162446 1440765342 /nfs/dbraw/zinc/76/53/42/1440765342.db2.gz VFNHGHHIFGMZNB-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001755313216 1440814286 /nfs/dbraw/zinc/81/42/86/1440814286.db2.gz KNIJQJJEYZLLSI-IAGOWNOFSA-N 2 1 347.547 3.433 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)[NH+](C)CC1CCCC1 ZINC001755312927 1440814375 /nfs/dbraw/zinc/81/43/75/1440814375.db2.gz JUXNLCTZTMRBTE-FXAWDEMLSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)[N@H+](C)CC1CCCC1 ZINC001755312927 1440814376 /nfs/dbraw/zinc/81/43/76/1440814376.db2.gz JUXNLCTZTMRBTE-FXAWDEMLSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)[N@@H+](C)CC1CCCC1 ZINC001755312927 1440814377 /nfs/dbraw/zinc/81/43/77/1440814377.db2.gz JUXNLCTZTMRBTE-FXAWDEMLSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1F)[NH+]1CCCCCC1 ZINC001755318385 1440816936 /nfs/dbraw/zinc/81/69/36/1440816936.db2.gz BFXPJVWYXOMQMT-DLBZAZTESA-N 2 1 349.494 3.027 20 0 EGADMP C[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1F)[NH+]1CCCCCC1 ZINC001755318385 1440816937 /nfs/dbraw/zinc/81/69/37/1440816937.db2.gz BFXPJVWYXOMQMT-DLBZAZTESA-N 2 1 349.494 3.027 20 0 EGADMP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@H+](C)Cc1ccccc1F ZINC001755318386 1440817052 /nfs/dbraw/zinc/81/70/52/1440817052.db2.gz BFXPJVWYXOMQMT-IAGOWNOFSA-N 2 1 349.494 3.027 20 0 EGADMP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@@H+](C)Cc1ccccc1F ZINC001755318386 1440817053 /nfs/dbraw/zinc/81/70/53/1440817053.db2.gz BFXPJVWYXOMQMT-IAGOWNOFSA-N 2 1 349.494 3.027 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccc(F)cc1 ZINC001755319876 1440817990 /nfs/dbraw/zinc/81/79/90/1440817990.db2.gz LCPZYHBLACSUNF-VQIMIIECSA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(F)cc1 ZINC001755319876 1440817991 /nfs/dbraw/zinc/81/79/91/1440817991.db2.gz LCPZYHBLACSUNF-VQIMIIECSA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1 ZINC001755319876 1440817992 /nfs/dbraw/zinc/81/79/92/1440817992.db2.gz LCPZYHBLACSUNF-VQIMIIECSA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCC2=CCCCC2)CC1 ZINC001755321846 1440818908 /nfs/dbraw/zinc/81/89/08/1440818908.db2.gz VFSJGNHLKKNFLA-SFHVURJKSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@H](CNC(=O)CCCC[NH+](C)C)[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001755322543 1440819339 /nfs/dbraw/zinc/81/93/39/1440819339.db2.gz KNZBBFWAURDGTP-XLIONFOSSA-N 2 1 345.531 3.232 20 0 EGADMP C[C@@H](CNC(=O)CCCC[NH+](C)C)[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001755322542 1440819482 /nfs/dbraw/zinc/81/94/82/1440819482.db2.gz KNZBBFWAURDGTP-PXNSSMCTSA-N 2 1 345.531 3.232 20 0 EGADMP CC(C)[C@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH2+]CC1CC1 ZINC001755339443 1440824661 /nfs/dbraw/zinc/82/46/61/1440824661.db2.gz JQPLRWXCMNVUCL-VQTJNVASSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[C@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001755358121 1440830523 /nfs/dbraw/zinc/83/05/23/1440830523.db2.gz LRJLIZZLNWWRAT-BHIYHBOVSA-N 2 1 337.552 3.172 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCC1)C1CCC1 ZINC001755364560 1440833631 /nfs/dbraw/zinc/83/36/31/1440833631.db2.gz WOLOTRHQLQIPNM-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCCC1)C1CCC1 ZINC001755364560 1440833632 /nfs/dbraw/zinc/83/36/32/1440833632.db2.gz WOLOTRHQLQIPNM-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCCC1)C1CCC1 ZINC001755364560 1440833633 /nfs/dbraw/zinc/83/36/33/1440833633.db2.gz WOLOTRHQLQIPNM-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC001755412558 1440847121 /nfs/dbraw/zinc/84/71/21/1440847121.db2.gz VPPUXBABCCLTLQ-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001755518004 1440864550 /nfs/dbraw/zinc/86/45/50/1440864550.db2.gz ZQVXOLGEYUJDAN-IEBWSBKVSA-N 2 1 345.531 3.020 20 0 EGADMP C[N@@H+](CC1=CCCCC1)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001755536471 1440869634 /nfs/dbraw/zinc/86/96/34/1440869634.db2.gz VOXYDKWDDKLXND-UHFFFAOYSA-N 2 1 347.547 3.286 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC001755618164 1440889692 /nfs/dbraw/zinc/88/96/92/1440889692.db2.gz IEPQQAOSOVHIQI-OAHLLOKOSA-N 2 1 347.528 3.178 20 0 EGADMP CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C)cc1 ZINC001755667512 1440893751 /nfs/dbraw/zinc/89/37/51/1440893751.db2.gz VVGCZPJLNIDVLD-XLIONFOSSA-N 2 1 345.531 3.229 20 0 EGADMP CCCC[N@@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001755701247 1440900164 /nfs/dbraw/zinc/90/01/64/1440900164.db2.gz JTBJXWHVTQIZCL-MBOZVWFJSA-N 2 1 346.519 3.310 20 0 EGADMP CCCC[N@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001755701247 1440900165 /nfs/dbraw/zinc/90/01/65/1440900165.db2.gz JTBJXWHVTQIZCL-MBOZVWFJSA-N 2 1 346.519 3.310 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001755765113 1440915973 /nfs/dbraw/zinc/91/59/73/1440915973.db2.gz IUZAUMNPRQTBGH-QAPCUYQASA-N 2 1 349.494 3.055 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001755809511 1440919119 /nfs/dbraw/zinc/91/91/19/1440919119.db2.gz SCXKSNZTQSOOJP-QUCCMNQESA-N 2 1 345.531 3.319 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+](C)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001755809511 1440919120 /nfs/dbraw/zinc/91/91/20/1440919120.db2.gz SCXKSNZTQSOOJP-QUCCMNQESA-N 2 1 345.531 3.319 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+](C)CCN(C(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001755809511 1440919121 /nfs/dbraw/zinc/91/91/21/1440919121.db2.gz SCXKSNZTQSOOJP-QUCCMNQESA-N 2 1 345.531 3.319 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001755826302 1440927304 /nfs/dbraw/zinc/92/73/04/1440927304.db2.gz ODTQBNGZXRZQBS-QZTJIDSGSA-N 2 1 337.552 3.172 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCc1ccccc1Cl ZINC000368181995 168321889 /nfs/dbraw/zinc/32/18/89/168321889.db2.gz SUOLTVJTXTXRBA-BHIYHBOVSA-N 2 1 336.907 3.456 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000124512188 282098331 /nfs/dbraw/zinc/09/83/31/282098331.db2.gz AKDAAPCVRBBREL-LJQANCHMSA-N 2 1 335.923 3.191 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178965130 282248200 /nfs/dbraw/zinc/24/82/00/282248200.db2.gz AAYOZLREMLWUFP-UHFFFAOYSA-N 2 1 326.488 3.229 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000105443746 219496784 /nfs/dbraw/zinc/49/67/84/219496784.db2.gz WXZOEBIGHSSNRJ-LBPRGKRZSA-N 2 1 335.835 3.042 20 0 EGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183952447 291099599 /nfs/dbraw/zinc/09/95/99/291099599.db2.gz JSQOXDVONCHXCL-INIZCTEOSA-N 2 1 348.487 3.011 20 0 EGADMP C[NH2+]CCC1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000070534511 215699110 /nfs/dbraw/zinc/69/91/10/215699110.db2.gz BSKJJXVFAIXRMB-UHFFFAOYSA-N 2 1 329.257 3.410 20 0 EGADMP C[C@H](C[NH+]1CCN(CC[NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC000189573309 237034488 /nfs/dbraw/zinc/03/44/88/237034488.db2.gz QNOWSKAZUALJRA-QGZVFWFLSA-N 2 1 335.923 3.157 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000072803547 216308294 /nfs/dbraw/zinc/30/82/94/216308294.db2.gz ZJWSZZFRMLJGOB-HNNXBMFYSA-N 2 1 337.895 3.332 20 0 EGADMP COC(=O)[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000193867814 240341301 /nfs/dbraw/zinc/34/13/01/240341301.db2.gz ZMRAMAQBTVIWEE-WSCSCYJOSA-N 2 1 342.483 3.113 20 0 EGADMP c1cc2cccc(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)c2[nH]1 ZINC000236694931 242323023 /nfs/dbraw/zinc/32/30/23/242323023.db2.gz ZKOUTOBTFJIESY-UHFFFAOYSA-N 2 1 335.451 3.290 20 0 EGADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000361502516 296122627 /nfs/dbraw/zinc/12/26/27/296122627.db2.gz XQBTWZSTDXNJFC-AZUAARDMSA-N 2 1 347.547 3.118 20 0 EGADMP C[C@@H](C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000247234071 243397711 /nfs/dbraw/zinc/39/77/11/243397711.db2.gz WNIRGFGGNGLDOO-SLFFLAALSA-N 2 1 329.532 3.281 20 0 EGADMP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000262608983 245064415 /nfs/dbraw/zinc/06/44/15/245064415.db2.gz BKPBGFBVMOOKPK-GGPKGHCWSA-N 2 1 343.515 3.108 20 0 EGADMP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000262711593 245137081 /nfs/dbraw/zinc/13/70/81/245137081.db2.gz QPJIMTIQYFMMMT-OXQOHEQNSA-N 2 1 331.504 3.052 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3CC[NH+](C)CC3)cc2)C1 ZINC000081264098 217375965 /nfs/dbraw/zinc/37/59/65/217375965.db2.gz GHQHALFBOKPTDX-INIZCTEOSA-N 2 1 329.488 3.199 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000264013179 245973360 /nfs/dbraw/zinc/97/33/60/245973360.db2.gz GQEPUIPSYMXUBV-PKOBYXMFSA-N 2 1 333.520 3.306 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC[N@H+]1C ZINC000378571044 169139783 /nfs/dbraw/zinc/13/97/83/169139783.db2.gz PJSNPHIYMJUUFR-KMKNWIINSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC[NH+]1C ZINC000378571044 169139786 /nfs/dbraw/zinc/13/97/86/169139786.db2.gz PJSNPHIYMJUUFR-KMKNWIINSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH+]1C ZINC000378571044 169139788 /nfs/dbraw/zinc/13/97/88/169139788.db2.gz PJSNPHIYMJUUFR-KMKNWIINSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCN1C ZINC000378571044 169139791 /nfs/dbraw/zinc/13/97/91/169139791.db2.gz PJSNPHIYMJUUFR-KMKNWIINSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCN1C ZINC000378571044 169139793 /nfs/dbraw/zinc/13/97/93/169139793.db2.gz PJSNPHIYMJUUFR-KMKNWIINSA-N 2 1 341.543 3.359 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c(C)n2n1 ZINC000091725854 218054332 /nfs/dbraw/zinc/05/43/32/218054332.db2.gz OCMYRIQNLXDRIC-YOEHRIQHSA-N 2 1 331.508 3.363 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Oc4cnccn4)cc3)CC[C@@H]21 ZINC000092043605 218109253 /nfs/dbraw/zinc/10/92/53/218109253.db2.gz HBRKIHWMMSKADB-HKUYNNGSSA-N 2 1 338.455 3.185 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Oc4cnccn4)cc3)CC[C@@H]21 ZINC000092043605 218109257 /nfs/dbraw/zinc/10/92/57/218109257.db2.gz HBRKIHWMMSKADB-HKUYNNGSSA-N 2 1 338.455 3.185 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Oc4cnccn4)cc3)CC[C@@H]21 ZINC000092043605 218109260 /nfs/dbraw/zinc/10/92/60/218109260.db2.gz HBRKIHWMMSKADB-HKUYNNGSSA-N 2 1 338.455 3.185 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000093006760 218184898 /nfs/dbraw/zinc/18/48/98/218184898.db2.gz QDFNCTDVNQHGPQ-UHFFFAOYSA-N 2 1 349.482 3.073 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]C3CC[NH+](CC(C)C)CC3)c(C)n2n1 ZINC000093372617 218219323 /nfs/dbraw/zinc/21/93/23/218219323.db2.gz RJACEISJYPTBAA-HNNXBMFYSA-N 2 1 329.492 3.117 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(C(F)(F)F)c1 ZINC000095420767 218362355 /nfs/dbraw/zinc/36/23/55/218362355.db2.gz WNCBWAYADGWDGW-CYBMUJFWSA-N 2 1 330.394 3.203 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccsc1 ZINC000267401120 251022863 /nfs/dbraw/zinc/02/28/63/251022863.db2.gz ZPVDKTAPNYWCLZ-MAUKXSAKSA-N 2 1 349.544 3.122 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000268744677 252194988 /nfs/dbraw/zinc/19/49/88/252194988.db2.gz FEQZCJNNBBTIFK-APWZRJJASA-N 2 1 325.456 3.090 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000268744677 252194992 /nfs/dbraw/zinc/19/49/92/252194992.db2.gz FEQZCJNNBBTIFK-APWZRJJASA-N 2 1 325.456 3.090 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(SCC(F)F)cc1 ZINC000268810103 252263242 /nfs/dbraw/zinc/26/32/42/252263242.db2.gz DRRMEZKZXIJVFU-ZFWWWQNUSA-N 2 1 344.471 3.151 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000268836346 252284611 /nfs/dbraw/zinc/28/46/11/252284611.db2.gz BNALISFYXXGUNB-BVYCBKJFSA-N 2 1 338.495 3.090 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)cc1 ZINC000268861886 252310415 /nfs/dbraw/zinc/31/04/15/252310415.db2.gz IAWWSJNALACRMN-IERDGZPVSA-N 2 1 335.451 3.435 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000268859447 252308709 /nfs/dbraw/zinc/30/87/09/252308709.db2.gz VDIWPLZJXIFXHI-KRWDZBQOSA-N 2 1 333.520 3.263 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC(C)(C)O1 ZINC000119533660 221341307 /nfs/dbraw/zinc/34/13/07/221341307.db2.gz QAIVGVPUWSECHO-QGZVFWFLSA-N 2 1 345.531 3.216 20 0 EGADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCCO2 ZINC000178253880 533296796 /nfs/dbraw/zinc/29/67/96/533296796.db2.gz FVTMQASLRFHIRY-LJQANCHMSA-N 2 1 330.472 3.373 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000237524736 141006633 /nfs/dbraw/zinc/00/66/33/141006633.db2.gz YYNJNXMKDSMDSB-UWJYYQICSA-N 2 1 343.515 3.067 20 0 EGADMP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000246907120 141043624 /nfs/dbraw/zinc/04/36/24/141043624.db2.gz GDBNUUKTIYPFCG-ANTGDGSKSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000246907120 141043625 /nfs/dbraw/zinc/04/36/25/141043625.db2.gz GDBNUUKTIYPFCG-ANTGDGSKSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@H](CN[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000246907120 141043626 /nfs/dbraw/zinc/04/36/26/141043626.db2.gz GDBNUUKTIYPFCG-ANTGDGSKSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@H](CN[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000246907120 141043627 /nfs/dbraw/zinc/04/36/27/141043627.db2.gz GDBNUUKTIYPFCG-ANTGDGSKSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@@H](C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338045922 141080574 /nfs/dbraw/zinc/08/05/74/141080574.db2.gz SNDBCQAIDBKPIP-RZFLPCETSA-N 2 1 337.552 3.120 20 0 EGADMP C[C@@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338045922 141080577 /nfs/dbraw/zinc/08/05/77/141080577.db2.gz SNDBCQAIDBKPIP-RZFLPCETSA-N 2 1 337.552 3.120 20 0 EGADMP C[C@@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338045922 141080579 /nfs/dbraw/zinc/08/05/79/141080579.db2.gz SNDBCQAIDBKPIP-RZFLPCETSA-N 2 1 337.552 3.120 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(Cc3cscc3Br)CC[C@@H]21 ZINC000347912159 141215278 /nfs/dbraw/zinc/21/52/78/141215278.db2.gz MDQZQYFLUJJLJF-RISCZKNCSA-N 2 1 329.307 3.427 20 0 EGADMP C[N@@H+](C[C@H](O)Cc1ccc2ccccc2c1)C[C@H]1CCC[NH+](C)C1 ZINC000348056378 141236519 /nfs/dbraw/zinc/23/65/19/141236519.db2.gz RDWQQRCIOLGTGA-GHTZIAJQSA-N 2 1 326.484 3.017 20 0 EGADMP C[NH+](C[C@H](O)Cc1ccc2ccccc2c1)C[C@H]1CCC[N@H+](C)C1 ZINC000348056378 141236520 /nfs/dbraw/zinc/23/65/20/141236520.db2.gz RDWQQRCIOLGTGA-GHTZIAJQSA-N 2 1 326.484 3.017 20 0 EGADMP C[NH+](C[C@H](O)Cc1ccc2ccccc2c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000348056378 141236521 /nfs/dbraw/zinc/23/65/21/141236521.db2.gz RDWQQRCIOLGTGA-GHTZIAJQSA-N 2 1 326.484 3.017 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C2([NH3+])CCCC2)c1 ZINC000178850056 144076190 /nfs/dbraw/zinc/07/61/90/144076190.db2.gz VNPYYPWFUJEBOI-UHFFFAOYSA-N 2 1 331.504 3.196 20 0 EGADMP CC(C)[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000344680816 144208843 /nfs/dbraw/zinc/20/88/43/144208843.db2.gz CYQHLKXLPVVFKG-PMACEKPBSA-N 2 1 345.531 3.162 20 0 EGADMP Cc1nc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000351488464 144268635 /nfs/dbraw/zinc/26/86/35/144268635.db2.gz FRRJBBFNNXAKKY-IMJJTQAJSA-N 2 1 331.847 3.473 20 0 EGADMP Cc1nc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000351488464 144268637 /nfs/dbraw/zinc/26/86/37/144268637.db2.gz FRRJBBFNNXAKKY-IMJJTQAJSA-N 2 1 331.847 3.473 20 0 EGADMP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCCO2)C[C@H]1CCC[NH+](C)C1 ZINC000351601683 144286495 /nfs/dbraw/zinc/28/64/95/144286495.db2.gz OBGGSKOIZBHMAR-AWEZNQCLSA-N 2 1 338.879 3.275 20 0 EGADMP C[N@H+](Cc1cc(Cl)c2c(c1)OCCCO2)C[C@H]1CCC[NH+](C)C1 ZINC000351601683 144286496 /nfs/dbraw/zinc/28/64/96/144286496.db2.gz OBGGSKOIZBHMAR-AWEZNQCLSA-N 2 1 338.879 3.275 20 0 EGADMP C[NH+](Cc1cc(Cl)c2c(c1)OCCCO2)C[C@H]1CCC[N@H+](C)C1 ZINC000351601683 144286497 /nfs/dbraw/zinc/28/64/97/144286497.db2.gz OBGGSKOIZBHMAR-AWEZNQCLSA-N 2 1 338.879 3.275 20 0 EGADMP C[NH+](Cc1cc(Cl)c2c(c1)OCCCO2)C[C@H]1CCC[N@@H+](C)C1 ZINC000351601683 144286498 /nfs/dbraw/zinc/28/64/98/144286498.db2.gz OBGGSKOIZBHMAR-AWEZNQCLSA-N 2 1 338.879 3.275 20 0 EGADMP Cc1cccc2ncc(CN3CCC[C@@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)n21 ZINC000352288335 144322991 /nfs/dbraw/zinc/32/29/91/144322991.db2.gz ZUORDPKMBIOOPY-FGTMMUONSA-N 2 1 326.488 3.480 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000677819920 549337868 /nfs/dbraw/zinc/33/78/68/549337868.db2.gz DFMKYBABOYUNFI-GHMZBOCLSA-N 2 1 329.288 3.254 20 0 EGADMP Cc1ncc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000336713348 154211350 /nfs/dbraw/zinc/21/13/50/154211350.db2.gz MSTDQNVPDBCDQN-ZWKOTPCHSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000336713348 154211352 /nfs/dbraw/zinc/21/13/52/154211352.db2.gz MSTDQNVPDBCDQN-ZWKOTPCHSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000336713348 154211358 /nfs/dbraw/zinc/21/13/58/154211358.db2.gz MSTDQNVPDBCDQN-ZWKOTPCHSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000336713348 154211362 /nfs/dbraw/zinc/21/13/62/154211362.db2.gz MSTDQNVPDBCDQN-ZWKOTPCHSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000336713347 154211874 /nfs/dbraw/zinc/21/18/74/154211874.db2.gz MSTDQNVPDBCDQN-ROUUACIJSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000336713347 154211876 /nfs/dbraw/zinc/21/18/76/154211876.db2.gz MSTDQNVPDBCDQN-ROUUACIJSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000336713347 154211878 /nfs/dbraw/zinc/21/18/78/154211878.db2.gz MSTDQNVPDBCDQN-ROUUACIJSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000336713347 154211880 /nfs/dbraw/zinc/21/18/80/154211880.db2.gz MSTDQNVPDBCDQN-ROUUACIJSA-N 2 1 327.497 3.405 20 0 EGADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000337328430 154287459 /nfs/dbraw/zinc/28/74/59/154287459.db2.gz DYUSKKIVXNVTBY-HFQYIWAZSA-N 2 1 342.405 3.155 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC23CCC3)CC1 ZINC000337379945 154320682 /nfs/dbraw/zinc/32/06/82/154320682.db2.gz CYJDAUCFXGRERH-HXUWFJFHSA-N 2 1 327.516 3.246 20 0 EGADMP CC[N@H+](Cc1ccnc(OC)c1)CC1CCN(c2ccccn2)CC1 ZINC000339868019 155011920 /nfs/dbraw/zinc/01/19/20/155011920.db2.gz SHUZSOAQTPDRRP-UHFFFAOYSA-N 2 1 340.471 3.224 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346816665 156148618 /nfs/dbraw/zinc/14/86/18/156148618.db2.gz FAQWFBWLOHARCS-BEVDRBHNSA-N 2 1 342.462 3.187 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OCC(C)C ZINC000346859404 156167214 /nfs/dbraw/zinc/16/72/14/156167214.db2.gz YKZRFEPANFTNBQ-KSZLIROESA-N 2 1 332.488 3.289 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc2ncccc2c1 ZINC000349037072 156327592 /nfs/dbraw/zinc/32/75/92/156327592.db2.gz QYKMQQYQMNPXPO-HXUWFJFHSA-N 2 1 340.515 3.083 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1)C1CC1 ZINC000114376866 162229559 /nfs/dbraw/zinc/22/95/59/162229559.db2.gz PYEYWZMIXSHGQZ-HXUWFJFHSA-N 2 1 345.531 3.377 20 0 EGADMP OC[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248416699 163002687 /nfs/dbraw/zinc/00/26/87/163002687.db2.gz PYJITEAZPIEGKJ-ALGQRKQJSA-N 2 1 328.500 3.038 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000338779080 163346634 /nfs/dbraw/zinc/34/66/34/163346634.db2.gz NCSKQKILKMQVMW-HXUWFJFHSA-N 2 1 328.500 3.312 20 0 EGADMP CCc1cccnc1[C@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000343982056 164077142 /nfs/dbraw/zinc/07/71/42/164077142.db2.gz KRJYEOPOSSNBBX-INIZCTEOSA-N 2 1 342.487 3.220 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H](C)Cc3ccncc3)sc2C1 ZINC000344155279 164116171 /nfs/dbraw/zinc/11/61/71/164116171.db2.gz ZQHRMONQROBUBY-AWEZNQCLSA-N 2 1 330.501 3.025 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H](C)Cc3ccncc3)sc2C1 ZINC000344155279 164116173 /nfs/dbraw/zinc/11/61/73/164116173.db2.gz ZQHRMONQROBUBY-AWEZNQCLSA-N 2 1 330.501 3.025 20 0 EGADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(SC)cc1 ZINC000344161398 164116519 /nfs/dbraw/zinc/11/65/19/164116519.db2.gz XXRWYJKQTVGYPP-UHFFFAOYSA-N 2 1 335.561 3.258 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)c1ccc(=O)[nH]n1 ZINC000353464935 287041215 /nfs/dbraw/zinc/04/12/15/287041215.db2.gz WCOWYDJUMRIIJT-MRXNPFEDSA-N 2 1 340.471 3.265 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000350181536 165016702 /nfs/dbraw/zinc/01/67/02/165016702.db2.gz PNWCKZOCRUQTNR-HNNXBMFYSA-N 2 1 349.500 3.336 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000350181536 165016704 /nfs/dbraw/zinc/01/67/04/165016704.db2.gz PNWCKZOCRUQTNR-HNNXBMFYSA-N 2 1 349.500 3.336 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000350746083 165068425 /nfs/dbraw/zinc/06/84/25/165068425.db2.gz HVCNTWHMABSXJP-KRWDZBQOSA-N 2 1 347.478 3.126 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000350746083 165068426 /nfs/dbraw/zinc/06/84/26/165068426.db2.gz HVCNTWHMABSXJP-KRWDZBQOSA-N 2 1 347.478 3.126 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000350746083 165068431 /nfs/dbraw/zinc/06/84/31/165068431.db2.gz HVCNTWHMABSXJP-KRWDZBQOSA-N 2 1 347.478 3.126 20 0 EGADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCC(F)(F)CC1 ZINC000353250772 165693722 /nfs/dbraw/zinc/69/37/22/165693722.db2.gz PJSLLMCIIOCIOH-OAHLLOKOSA-N 2 1 330.463 3.435 20 0 EGADMP CC(C)Oc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000355218417 166137374 /nfs/dbraw/zinc/13/73/74/166137374.db2.gz IMNGMDXHDZUJES-NLWGTHIKSA-N 2 1 332.488 3.157 20 0 EGADMP CC(C)Oc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000355218417 166137376 /nfs/dbraw/zinc/13/73/76/166137376.db2.gz IMNGMDXHDZUJES-NLWGTHIKSA-N 2 1 332.488 3.157 20 0 EGADMP CN(C)[C@@H](C(=O)N1CCC2(CCC[N@H+]2C)CC1)c1cccc(Cl)c1 ZINC000355347276 166169957 /nfs/dbraw/zinc/16/99/57/166169957.db2.gz MHQOWMXJTJFIKA-QGZVFWFLSA-N 2 1 349.906 3.030 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)c1cccc(Cl)c1 ZINC000355347276 166169960 /nfs/dbraw/zinc/16/99/60/166169960.db2.gz MHQOWMXJTJFIKA-QGZVFWFLSA-N 2 1 349.906 3.030 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC2(CCC[N@H+]2C)CC1)c1cccc(Cl)c1 ZINC000355347276 166169962 /nfs/dbraw/zinc/16/99/62/166169962.db2.gz MHQOWMXJTJFIKA-QGZVFWFLSA-N 2 1 349.906 3.030 20 0 EGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000355378029 166179838 /nfs/dbraw/zinc/17/98/38/166179838.db2.gz YVARYYDZLKKICR-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)[N@H+]1CCc2nc(CNC3CC([NH+]4CCCCC4)C3)sc2C1 ZINC000355577036 166248697 /nfs/dbraw/zinc/24/86/97/166248697.db2.gz ASHBAOYSZGLPLS-UHFFFAOYSA-N 2 1 348.560 3.016 20 0 EGADMP CC[C@H](C(=O)N[C@@H](c1ncc[nH]1)C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000355963087 166360848 /nfs/dbraw/zinc/36/08/48/166360848.db2.gz UGKBIDOEIXHUPP-IAGOWNOFSA-N 2 1 328.460 3.134 20 0 EGADMP CC[C@H](C(=O)N[C@@H](c1ncc[nH]1)C(C)C)N(C)Cc1ccccc1 ZINC000355963087 166360850 /nfs/dbraw/zinc/36/08/50/166360850.db2.gz UGKBIDOEIXHUPP-IAGOWNOFSA-N 2 1 328.460 3.134 20 0 EGADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cn1 ZINC000359249056 167106486 /nfs/dbraw/zinc/10/64/86/167106486.db2.gz UZOIYKMGOZUQEJ-RBUKOAKNSA-N 2 1 343.446 3.028 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000359311015 167122188 /nfs/dbraw/zinc/12/21/88/167122188.db2.gz KJZJFMBRGSLQJM-ICSRJNTNSA-N 2 1 343.515 3.203 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000359508635 167175669 /nfs/dbraw/zinc/17/56/69/167175669.db2.gz DKVVALWNZFBXGT-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000359582752 167199544 /nfs/dbraw/zinc/19/95/44/167199544.db2.gz GYAANXZNIUZLNX-YJBOKZPZSA-N 2 1 332.492 3.351 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000359582752 167199545 /nfs/dbraw/zinc/19/95/45/167199545.db2.gz GYAANXZNIUZLNX-YJBOKZPZSA-N 2 1 332.492 3.351 20 0 EGADMP C[C@H]1CCC[C@](C[NH2+]C2CCN(c3nccs3)CC2)([NH+](C)C)C1 ZINC000360715444 167395345 /nfs/dbraw/zinc/39/53/45/167395345.db2.gz GXRLZKVBTYOTDY-YJBOKZPZSA-N 2 1 336.549 3.212 20 0 EGADMP C[C@H](CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000365792279 168043843 /nfs/dbraw/zinc/04/38/43/168043843.db2.gz BLSXPSSEEUZWJR-DYXWJJEUSA-N 2 1 329.532 3.138 20 0 EGADMP C[NH+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000365947441 168063479 /nfs/dbraw/zinc/06/34/79/168063479.db2.gz SLFDWNCLYWTIRT-UHFFFAOYSA-N 2 1 326.366 3.137 20 0 EGADMP CC[C@H](NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(OC(F)F)cc1 ZINC000366218718 168095116 /nfs/dbraw/zinc/09/51/16/168095116.db2.gz MJDYMRKYCBVIEL-OIISXLGYSA-N 2 1 340.414 3.192 20 0 EGADMP CC[C@H](NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(OC(F)F)cc1 ZINC000366218718 168095118 /nfs/dbraw/zinc/09/51/18/168095118.db2.gz MJDYMRKYCBVIEL-OIISXLGYSA-N 2 1 340.414 3.192 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000366224895 168096343 /nfs/dbraw/zinc/09/63/43/168096343.db2.gz ZEXQDWPURNAUJK-NRSPTQNISA-N 2 1 329.532 3.219 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000366224895 168096346 /nfs/dbraw/zinc/09/63/46/168096346.db2.gz ZEXQDWPURNAUJK-NRSPTQNISA-N 2 1 329.532 3.219 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000366224895 168096348 /nfs/dbraw/zinc/09/63/48/168096348.db2.gz ZEXQDWPURNAUJK-NRSPTQNISA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366871762 168150836 /nfs/dbraw/zinc/15/08/36/168150836.db2.gz VOJOTWJVLJTKON-HNNXBMFYSA-N 2 1 349.906 3.475 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366871762 168150838 /nfs/dbraw/zinc/15/08/38/168150838.db2.gz VOJOTWJVLJTKON-HNNXBMFYSA-N 2 1 349.906 3.475 20 0 EGADMP COCCCn1nccc1CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000367120785 168181755 /nfs/dbraw/zinc/18/17/55/168181755.db2.gz ILWFYPJGOZZXFI-OALUTQOASA-N 2 1 348.535 3.006 20 0 EGADMP C[N@H+]1CC[C@@]2(CCN(Cc3coc(-c4ccc(F)c(F)c4)n3)C2)C1 ZINC000367851064 168277326 /nfs/dbraw/zinc/27/73/26/168277326.db2.gz UDOGLLJJYIBIGX-GOSISDBHSA-N 2 1 333.382 3.147 20 0 EGADMP CC(C)n1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000367967109 168290537 /nfs/dbraw/zinc/29/05/37/168290537.db2.gz SYQNJDFTKJJUMP-SFTDATJTSA-N 2 1 338.499 3.418 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000179399125 265375614 /nfs/dbraw/zinc/37/56/14/265375614.db2.gz SAJNZEBNLXIJCR-UHFFFAOYSA-N 2 1 334.851 3.196 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000179399125 265375617 /nfs/dbraw/zinc/37/56/17/265375617.db2.gz SAJNZEBNLXIJCR-UHFFFAOYSA-N 2 1 334.851 3.196 20 0 EGADMP CC(C)(C)OC(=O)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180167424 265397521 /nfs/dbraw/zinc/39/75/21/265397521.db2.gz NSVRZVDZWSWRTK-GBESFXJTSA-N 2 1 344.499 3.218 20 0 EGADMP CC[C@@H](C(=O)Nc1ccccc1C[NH+]1CCSCC1)[NH+](CC)CC ZINC000274006693 267163568 /nfs/dbraw/zinc/16/35/68/267163568.db2.gz ADKQFZUSFMRNLV-SFHVURJKSA-N 2 1 349.544 3.294 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000274824138 267292458 /nfs/dbraw/zinc/29/24/58/267292458.db2.gz XCQLCMWDZSYLBL-MRXNPFEDSA-N 2 1 333.520 3.310 20 0 EGADMP Brc1c[nH+]ccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000274887559 267302357 /nfs/dbraw/zinc/30/23/57/267302357.db2.gz IWEBFOOIPJRNCC-WFASDCNBSA-N 2 1 336.277 3.297 20 0 EGADMP Brc1c[nH+]ccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000274887559 267302359 /nfs/dbraw/zinc/30/23/59/267302359.db2.gz IWEBFOOIPJRNCC-WFASDCNBSA-N 2 1 336.277 3.297 20 0 EGADMP C[C@@H](NC1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274924629 267306530 /nfs/dbraw/zinc/30/65/30/267306530.db2.gz PPWITBKFPGHSBP-IEBWSBKVSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]([NH2+]C1CCN(C2CC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274924629 267306533 /nfs/dbraw/zinc/30/65/33/267306533.db2.gz PPWITBKFPGHSBP-IEBWSBKVSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]([NH2+]C1CCN(C2CC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274924629 267306537 /nfs/dbraw/zinc/30/65/37/267306537.db2.gz PPWITBKFPGHSBP-IEBWSBKVSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]([NH2+]CCc1cn2ccccc2n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274950312 267310129 /nfs/dbraw/zinc/31/01/29/267310129.db2.gz UZVBCWPXAFYZSD-QUCCMNQESA-N 3 1 348.494 3.377 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3ccc(F)cc32)CCCO1 ZINC000278530781 268033585 /nfs/dbraw/zinc/03/35/85/268033585.db2.gz NLHUFXABDKYSEL-QAPCUYQASA-N 2 1 336.451 3.130 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCOc3ccc(F)cc32)CCCO1 ZINC000278530781 268033587 /nfs/dbraw/zinc/03/35/87/268033587.db2.gz NLHUFXABDKYSEL-QAPCUYQASA-N 2 1 336.451 3.130 20 0 EGADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000106388562 275168673 /nfs/dbraw/zinc/16/86/73/275168673.db2.gz SXQVEVBPWAGWLP-IBGZPJMESA-N 2 1 348.531 3.140 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000106388562 275168674 /nfs/dbraw/zinc/16/86/74/275168674.db2.gz SXQVEVBPWAGWLP-IBGZPJMESA-N 2 1 348.531 3.140 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc(C)c(C)s2)CC1 ZINC000179678027 275203103 /nfs/dbraw/zinc/20/31/03/275203103.db2.gz IPPQISFDASNIIZ-UHFFFAOYSA-N 2 1 339.549 3.330 20 0 EGADMP CC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[C@H]1CCCO1 ZINC000245555657 275232736 /nfs/dbraw/zinc/23/27/36/275232736.db2.gz ILSUBVJRNASQDZ-HXUWFJFHSA-N 2 1 345.531 3.218 20 0 EGADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271919385 275241505 /nfs/dbraw/zinc/24/15/05/275241505.db2.gz ZUHPFKVQQKGJBW-ZDUSSCGKSA-N 2 1 328.485 3.426 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1N(C)C ZINC000278721682 275268637 /nfs/dbraw/zinc/26/86/37/275268637.db2.gz VXJDUVHOXHYPHR-JKSUJKDBSA-N 2 1 337.483 3.043 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1N(C)C ZINC000278721682 275268638 /nfs/dbraw/zinc/26/86/38/275268638.db2.gz VXJDUVHOXHYPHR-JKSUJKDBSA-N 2 1 337.483 3.043 20 0 EGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)co2)c1 ZINC000278762534 275272576 /nfs/dbraw/zinc/27/25/76/275272576.db2.gz OQXNBQHKXRQELX-AWEZNQCLSA-N 2 1 330.428 3.369 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)co2)c1 ZINC000278762534 275272577 /nfs/dbraw/zinc/27/25/77/275272577.db2.gz OQXNBQHKXRQELX-AWEZNQCLSA-N 2 1 330.428 3.369 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000278875136 275283250 /nfs/dbraw/zinc/28/32/50/275283250.db2.gz MNBCRIAPFZJMIM-UHFFFAOYSA-N 2 1 329.419 3.316 20 0 EGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CCS2 ZINC000279047280 275299003 /nfs/dbraw/zinc/29/90/03/275299003.db2.gz XRIBPMFUADRRLX-CZUORRHYSA-N 2 1 329.469 3.281 20 0 EGADMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cn1 ZINC000279083183 275302330 /nfs/dbraw/zinc/30/23/30/275302330.db2.gz MUNRLQDWTCSJCQ-BEFAXECRSA-N 2 1 344.503 3.173 20 0 EGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000281373932 275544279 /nfs/dbraw/zinc/54/42/79/275544279.db2.gz WUWYJEMMQVKQFK-CQSZACIVSA-N 2 1 344.421 3.073 20 0 EGADMP CCc1nc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cs1 ZINC000283897754 275759408 /nfs/dbraw/zinc/75/94/08/275759408.db2.gz HTOQAOBSVLLEOD-UHFFFAOYSA-N 2 1 345.512 3.468 20 0 EGADMP Cc1ccnc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000286348915 275985703 /nfs/dbraw/zinc/98/57/03/275985703.db2.gz YQZDTQNQPQYNFH-QGZVFWFLSA-N 2 1 339.483 3.198 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287287946 276104700 /nfs/dbraw/zinc/10/47/00/276104700.db2.gz BVAJYEALCJGTKY-ZWKOTPCHSA-N 2 1 341.503 3.286 20 0 EGADMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000157486764 276149192 /nfs/dbraw/zinc/14/91/92/276149192.db2.gz CBFFWXHZGRKVMH-UHFFFAOYSA-N 2 1 341.858 3.224 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000157486764 276149193 /nfs/dbraw/zinc/14/91/93/276149193.db2.gz CBFFWXHZGRKVMH-UHFFFAOYSA-N 2 1 341.858 3.224 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000344234306 276154116 /nfs/dbraw/zinc/15/41/16/276154116.db2.gz OUURRPDKMQARFW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000344234306 276154117 /nfs/dbraw/zinc/15/41/17/276154117.db2.gz OUURRPDKMQARFW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000344234306 276154118 /nfs/dbraw/zinc/15/41/18/276154118.db2.gz OUURRPDKMQARFW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1)C(C)C ZINC000171454879 276353475 /nfs/dbraw/zinc/35/34/75/276353475.db2.gz KUJQQEAOPVNTDH-FQEVSTJZSA-N 2 1 343.515 3.227 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000353227117 276383905 /nfs/dbraw/zinc/38/39/05/276383905.db2.gz ABKKCRMINQSIPX-MRXNPFEDSA-N 2 1 331.495 3.208 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000353227116 276384145 /nfs/dbraw/zinc/38/41/45/276384145.db2.gz ABKKCRMINQSIPX-INIZCTEOSA-N 2 1 331.495 3.208 20 0 EGADMP COCCOCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000289770596 276391289 /nfs/dbraw/zinc/39/12/89/276391289.db2.gz PGPNIBFFDBDJMG-FQEVSTJZSA-N 2 1 334.504 3.060 20 0 EGADMP CN(CCC[N@@H+](C)Cc1ccc2c(c1)ncn2C)Cc1ccco1 ZINC000289800637 276397090 /nfs/dbraw/zinc/39/70/90/276397090.db2.gz MTUYKOFWHFGUOD-UHFFFAOYSA-N 2 1 326.444 3.120 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4occc43)cc2)CC1 ZINC000192706106 277109226 /nfs/dbraw/zinc/10/92/26/277109226.db2.gz RMLQADKCDMVXNC-HXUWFJFHSA-N 2 1 339.483 3.194 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000339362470 278332284 /nfs/dbraw/zinc/33/22/84/278332284.db2.gz LYEGTBMZQWQJRL-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000339362470 278332285 /nfs/dbraw/zinc/33/22/85/278332285.db2.gz LYEGTBMZQWQJRL-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000339362470 278332286 /nfs/dbraw/zinc/33/22/86/278332286.db2.gz LYEGTBMZQWQJRL-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000152053257 288103074 /nfs/dbraw/zinc/10/30/74/288103074.db2.gz GVKXUCWJTGWFAQ-JTDSTZFVSA-N 2 1 334.479 3.192 20 0 EGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+](C)C ZINC000357856033 302206999 /nfs/dbraw/zinc/20/69/99/302206999.db2.gz DXAKEKSSUJZISP-VBRUWADQSA-N 2 1 345.531 3.364 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000052209833 307331904 /nfs/dbraw/zinc/33/19/04/307331904.db2.gz JTUIQLQCNUEOBT-UHFFFAOYSA-N 2 1 336.476 3.319 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)Cc2ccc(OC)nc2)c1 ZINC000414069305 309058983 /nfs/dbraw/zinc/05/89/83/309058983.db2.gz JDLNZEBZKBTVAS-MRXNPFEDSA-N 2 1 327.472 3.263 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414183864 309065484 /nfs/dbraw/zinc/06/54/84/309065484.db2.gz NZASDMNXIWWJKC-ROUUACIJSA-N 3 1 333.520 3.010 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000414191382 309065942 /nfs/dbraw/zinc/06/59/42/309065942.db2.gz RWADOOYMOKKBHO-DBVUQKKJSA-N 2 1 344.499 3.490 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@H]1CCCO1 ZINC000248410140 308002276 /nfs/dbraw/zinc/00/22/76/308002276.db2.gz GSGQJGBMUOWQDG-XDWAVFMPSA-N 2 1 328.500 3.444 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(O)c1 ZINC000249550739 308025928 /nfs/dbraw/zinc/02/59/28/308025928.db2.gz KYNHFDLNZNHZHL-IAGOWNOFSA-N 2 1 340.467 3.464 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(O)c1 ZINC000249550739 308025929 /nfs/dbraw/zinc/02/59/29/308025929.db2.gz KYNHFDLNZNHZHL-IAGOWNOFSA-N 2 1 340.467 3.464 20 0 EGADMP C[C@@H]1C[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)[C@@H](C)O1 ZINC000294677234 308244971 /nfs/dbraw/zinc/24/49/71/308244971.db2.gz DXRRLJKBLBODEH-JXXFODFXSA-N 2 1 331.504 3.442 20 0 EGADMP Cc1ncsc1CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000294692771 308246638 /nfs/dbraw/zinc/24/66/38/308246638.db2.gz ATNDFHMJIAJYPZ-CEXWTWQISA-N 2 1 341.524 3.494 20 0 EGADMP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)CC[NH2+]1 ZINC000414703924 309096279 /nfs/dbraw/zinc/09/62/79/309096279.db2.gz YRVFPWXNPSVIRA-IIYDPXPESA-N 2 1 326.843 3.241 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)CC[NH2+]1 ZINC000414703924 309096280 /nfs/dbraw/zinc/09/62/80/309096280.db2.gz YRVFPWXNPSVIRA-IIYDPXPESA-N 2 1 326.843 3.241 20 0 EGADMP CC[NH+](CC)Cc1ccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000296692780 308456359 /nfs/dbraw/zinc/45/63/59/308456359.db2.gz KBKPVFGHAGCUDO-UHFFFAOYSA-N 2 1 349.438 3.361 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](CC1CCC1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414718490 309097222 /nfs/dbraw/zinc/09/72/22/309097222.db2.gz ZECHAWQJWIRZHV-HKUYNNGSSA-N 2 1 343.515 3.047 20 0 EGADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000414772216 309100012 /nfs/dbraw/zinc/10/00/12/309100012.db2.gz BKWDFIMBUYKBJG-ROUUACIJSA-N 2 1 325.456 3.472 20 0 EGADMP CSc1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CC[NH2+]C3)C1)OCCO2 ZINC000414777907 309100470 /nfs/dbraw/zinc/10/04/70/309100470.db2.gz IOTLCERJUOMYCG-GJZGRUSLSA-N 2 1 348.512 3.001 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000414779432 309100644 /nfs/dbraw/zinc/10/06/44/309100644.db2.gz KBCOZQQIJYDXKM-LSDHHAIUSA-N 2 1 338.879 3.179 20 0 EGADMP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414779599 309100685 /nfs/dbraw/zinc/10/06/85/309100685.db2.gz KMXFLWLXCKJOJH-HOTGVXAUSA-N 2 1 342.405 3.449 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccnn2C)c1 ZINC000414786194 309101219 /nfs/dbraw/zinc/10/12/19/309101219.db2.gz UGUXJOMKCXJIKJ-ROUUACIJSA-N 2 1 338.499 3.217 20 0 EGADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)ccc1OCc1cccs1 ZINC000414790878 309101494 /nfs/dbraw/zinc/10/14/94/309101494.db2.gz AOCBPSKRZLKCPA-INIZCTEOSA-N 2 1 332.469 3.163 20 0 EGADMP COc1ccc2ccccc2c1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414794670 309101755 /nfs/dbraw/zinc/10/17/55/309101755.db2.gz VLUMEQRQUZINEH-QGZVFWFLSA-N 2 1 340.467 3.036 20 0 EGADMP CCC([NH3+])(CC)C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000414808891 309102863 /nfs/dbraw/zinc/10/28/63/309102863.db2.gz LGZNFORFQLQVKT-UHFFFAOYSA-N 2 1 336.430 3.374 20 0 EGADMP CC(C)[N@H+]1CCc2nc(CNCc3ccc([C@@H](C)[NH3+])cc3)sc2C1 ZINC000414814010 309103363 /nfs/dbraw/zinc/10/33/63/309103363.db2.gz VADBVKWOLOSFSU-CQSZACIVSA-N 2 1 344.528 3.219 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414828246 309104120 /nfs/dbraw/zinc/10/41/20/309104120.db2.gz LXRGVAIGOHKGHM-MRXNPFEDSA-N 2 1 346.906 3.291 20 0 EGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414830438 309104269 /nfs/dbraw/zinc/10/42/69/309104269.db2.gz AZKCUCJJXUFLSM-STQMWFEESA-N 2 1 345.409 3.386 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000414830775 309104342 /nfs/dbraw/zinc/10/43/42/309104342.db2.gz BNYJYHHTORRWBM-HIFRSBDPSA-N 2 1 325.884 3.329 20 0 EGADMP COc1ccc(C[NH2+]CC2([NH3+])CCCCC2)cc1Br ZINC000414845524 309105098 /nfs/dbraw/zinc/10/50/98/309105098.db2.gz RDEWGTLJVSZWFV-UHFFFAOYSA-N 2 1 327.266 3.209 20 0 EGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1Br ZINC000401800816 308908399 /nfs/dbraw/zinc/90/83/99/308908399.db2.gz MTHAHMWIWRHSGR-SNVBAGLBSA-N 2 1 326.213 3.215 20 0 EGADMP C[NH2+]CCC[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000414857178 309106066 /nfs/dbraw/zinc/10/60/66/309106066.db2.gz BSGFHUYBGNTHQD-UHFFFAOYSA-N 2 1 331.847 3.291 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[NH2+]1 ZINC000414948565 309110757 /nfs/dbraw/zinc/11/07/57/309110757.db2.gz MHZOHEXBCDKMDN-WBVHZDCISA-N 2 1 326.488 3.400 20 0 EGADMP CC[C@@H]1C[C@H](C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CCO1 ZINC000414967490 309112057 /nfs/dbraw/zinc/11/20/57/309112057.db2.gz XJFFNAKSBSGBMO-RGPZOAQRSA-N 2 1 338.442 3.205 20 0 EGADMP CC[C@@H]([NH3+])C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414978984 309112705 /nfs/dbraw/zinc/11/27/05/309112705.db2.gz MZCFTUSJPLKBSD-HXUWFJFHSA-N 2 1 334.467 3.425 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415002358 309113598 /nfs/dbraw/zinc/11/35/98/309113598.db2.gz MDCLKCICOOVTSZ-GKBFQHABSA-N 3 1 347.522 3.419 20 0 EGADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415042207 309116075 /nfs/dbraw/zinc/11/60/75/309116075.db2.gz SFOYLXUFZJILAH-XVAYZXCPSA-N 2 1 344.462 3.155 20 0 EGADMP c1cc(OC[C@@H]2CCCO2)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415057065 309117069 /nfs/dbraw/zinc/11/70/69/309117069.db2.gz TTZHQLOCMMUJHA-HLAWJBBLSA-N 2 1 344.499 3.208 20 0 EGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415072608 309118223 /nfs/dbraw/zinc/11/82/23/309118223.db2.gz YEDLMVQNZMFJBC-LRDDRELGSA-N 2 1 325.294 3.487 20 0 EGADMP c1nn(-c2ccccc2)cc1CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415082919 309118998 /nfs/dbraw/zinc/11/89/98/309118998.db2.gz MQPYPTACVGQGDW-UNMCSNQZSA-N 2 1 346.478 3.498 20 0 EGADMP COCCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415094686 309119844 /nfs/dbraw/zinc/11/98/44/309119844.db2.gz XRCQJXVGQHPLGZ-PZJWPPBQSA-N 2 1 340.467 3.295 20 0 EGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3csc(-c4ccco4)n3)CC2)C1 ZINC000415124736 309121996 /nfs/dbraw/zinc/12/19/96/309121996.db2.gz NFLUIVIRYAQFBG-WMLDXEAASA-N 2 1 347.484 3.121 20 0 EGADMP [NH3+]CC1(O)CC[NH+](Cc2c(Cl)cccc2Oc2ccccc2)CC1 ZINC000415140159 309123365 /nfs/dbraw/zinc/12/33/65/309123365.db2.gz JUIZTBIVBNGKGV-UHFFFAOYSA-N 2 1 346.858 3.418 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415880491 309145674 /nfs/dbraw/zinc/14/56/74/309145674.db2.gz FVKJOMCKHQCSPY-MRXNPFEDSA-N 2 1 344.503 3.108 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415966557 309151819 /nfs/dbraw/zinc/15/18/19/309151819.db2.gz ADNGIRNOFPCIQQ-OAHLLOKOSA-N 2 1 332.492 3.167 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(C[NH2+]C)cc2)C1 ZINC000415977438 309152438 /nfs/dbraw/zinc/15/24/38/309152438.db2.gz YHCPQOBBAHHUME-MRXNPFEDSA-N 2 1 346.519 3.428 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416181802 309162579 /nfs/dbraw/zinc/16/25/79/309162579.db2.gz TULUNGVIVJAZAJ-QUCCMNQESA-N 2 1 345.531 3.164 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420286181 309279364 /nfs/dbraw/zinc/27/93/64/309279364.db2.gz FTSISYFFVWAAQG-KGLIPLIRSA-N 2 1 330.428 3.169 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420286181 309279365 /nfs/dbraw/zinc/27/93/65/309279365.db2.gz FTSISYFFVWAAQG-KGLIPLIRSA-N 2 1 330.428 3.169 20 0 EGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C1 ZINC000420291352 309279755 /nfs/dbraw/zinc/27/97/55/309279755.db2.gz KDWDLTGRDXCWSU-CQSZACIVSA-N 2 1 330.863 3.147 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C1 ZINC000420291352 309279756 /nfs/dbraw/zinc/27/97/56/309279756.db2.gz KDWDLTGRDXCWSU-CQSZACIVSA-N 2 1 330.863 3.147 20 0 EGADMP COCC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)c1ccccc1 ZINC000420295493 309279898 /nfs/dbraw/zinc/27/98/98/309279898.db2.gz ARPOQMTXZYUWNR-FXAWDEMLSA-N 2 1 342.483 3.447 20 0 EGADMP [NH3+]C[C@@H]1CC[N@@H+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420299158 309280085 /nfs/dbraw/zinc/28/00/85/309280085.db2.gz TUMOTODUFPAORN-MGPUTAFESA-N 2 1 333.435 3.373 20 0 EGADMP [NH3+]C[C@@H]1CC[N@H+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420299158 309280086 /nfs/dbraw/zinc/28/00/86/309280086.db2.gz TUMOTODUFPAORN-MGPUTAFESA-N 2 1 333.435 3.373 20 0 EGADMP CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420298636 309280316 /nfs/dbraw/zinc/28/03/16/309280316.db2.gz FMHPRDHNYUKOBF-HOTGVXAUSA-N 2 1 338.904 3.154 20 0 EGADMP CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420298636 309280317 /nfs/dbraw/zinc/28/03/17/309280317.db2.gz FMHPRDHNYUKOBF-HOTGVXAUSA-N 2 1 338.904 3.154 20 0 EGADMP Cn1nc(CCC[N@@H+](C)CC[C@@H]2CC[NH2+]C2)cc1-c1ccc(F)cc1 ZINC000420300980 309280418 /nfs/dbraw/zinc/28/04/18/309280418.db2.gz IGAYHYXUPHLGGR-INIZCTEOSA-N 2 1 344.478 3.090 20 0 EGADMP c1csc(C[N@H+](CC[C@H]2CCCCO2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000420303290 309280437 /nfs/dbraw/zinc/28/04/37/309280437.db2.gz CRBGSKMKLDAISR-CVEARBPZSA-N 2 1 335.517 3.046 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420306865 309280734 /nfs/dbraw/zinc/28/07/34/309280734.db2.gz BCRXQQLYXKUWRD-SFHLNBCPSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000420306865 309280735 /nfs/dbraw/zinc/28/07/35/309280735.db2.gz BCRXQQLYXKUWRD-SFHLNBCPSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000420306865 309280736 /nfs/dbraw/zinc/28/07/36/309280736.db2.gz BCRXQQLYXKUWRD-SFHLNBCPSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@H]2CCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000420306865 309280737 /nfs/dbraw/zinc/28/07/37/309280737.db2.gz BCRXQQLYXKUWRD-SFHLNBCPSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@H]2CCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000420306865 309280738 /nfs/dbraw/zinc/28/07/38/309280738.db2.gz BCRXQQLYXKUWRD-SFHLNBCPSA-N 3 1 329.532 3.361 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[NH2+]C2(c3nccs3)CCCC2)cc1 ZINC000420306912 309280821 /nfs/dbraw/zinc/28/08/21/309280821.db2.gz BGIMKANJIQFLAO-OAHLLOKOSA-N 2 1 331.485 3.253 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000420327386 309282287 /nfs/dbraw/zinc/28/22/87/309282287.db2.gz YQNGMBHFBVFUCT-ZCNNSNEGSA-N 2 1 344.886 3.408 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000420327386 309282288 /nfs/dbraw/zinc/28/22/88/309282288.db2.gz YQNGMBHFBVFUCT-ZCNNSNEGSA-N 2 1 344.886 3.408 20 0 EGADMP COc1cccc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000420323423 309282409 /nfs/dbraw/zinc/28/24/09/309282409.db2.gz UGCZVZPRTIBEGG-PXNSSMCTSA-N 2 1 332.488 3.066 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)ccc2o1 ZINC000420328937 309282580 /nfs/dbraw/zinc/28/25/80/309282580.db2.gz NOOLAVKWOPWYQV-CVEARBPZSA-N 2 1 342.439 3.041 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336074 309283005 /nfs/dbraw/zinc/28/30/05/309283005.db2.gz IKGKSNXHUWDVJO-JYJNAYRXSA-N 2 1 349.906 3.297 20 0 EGADMP Clc1ccc(-n2ccc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420337773 309283100 /nfs/dbraw/zinc/28/31/00/309283100.db2.gz XAUSOSMDAQGROE-CVEARBPZSA-N 2 1 344.890 3.347 20 0 EGADMP Fc1ccc(OCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420337850 309283123 /nfs/dbraw/zinc/28/31/23/309283123.db2.gz XHOKUPHYQLDNNH-KBPBESRZSA-N 2 1 326.843 3.179 20 0 EGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000420353258 309283717 /nfs/dbraw/zinc/28/37/17/309283717.db2.gz BPXDQPYDCXEODG-SFHVURJKSA-N 2 1 325.456 3.402 20 0 EGADMP c1ccc(-c2n[nH]c([C@H]3CCC[N@H+](CCC4CC[NH2+]CC4)C3)n2)cc1 ZINC000420367076 309284526 /nfs/dbraw/zinc/28/45/26/309284526.db2.gz GNNFXLHCEDDRAE-SFHVURJKSA-N 2 1 339.487 3.041 20 0 EGADMP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420372296 309284805 /nfs/dbraw/zinc/28/48/05/309284805.db2.gz DZBRJFWNVXWVRN-UNEWFSDZSA-N 2 1 335.492 3.251 20 0 EGADMP CCN(C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)c1cccc2ccccc21 ZINC000420370645 309284838 /nfs/dbraw/zinc/28/48/38/309284838.db2.gz CQRNXXKBWYXXJD-AEFFLSMTSA-N 2 1 339.483 3.109 20 0 EGADMP CCN(C(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)c1cccc2ccccc21 ZINC000420370645 309284839 /nfs/dbraw/zinc/28/48/39/309284839.db2.gz CQRNXXKBWYXXJD-AEFFLSMTSA-N 2 1 339.483 3.109 20 0 EGADMP FC(F)Oc1cccc([C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)c1 ZINC000420376288 309285134 /nfs/dbraw/zinc/28/51/34/309285134.db2.gz QHDCZBUKTMYZRJ-PBHICJAKSA-N 2 1 340.414 3.051 20 0 EGADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000420382212 309285620 /nfs/dbraw/zinc/28/56/20/309285620.db2.gz ZNFSMUZNEWEXHP-HSMVNMDESA-N 2 1 343.393 3.010 20 0 EGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ncc(-c4cccs4)o3)CC2)C1 ZINC000420392341 309286051 /nfs/dbraw/zinc/28/60/51/309286051.db2.gz PJMKDWACVGXXIL-CABCVRRESA-N 2 1 347.484 3.121 20 0 EGADMP C[N@H+](CCOc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420901464 309299839 /nfs/dbraw/zinc/29/98/39/309299839.db2.gz LDDYXYGFFKDZKT-UHFFFAOYSA-N 2 1 340.467 3.030 20 0 EGADMP C[N@@H+](CCOc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420901464 309299840 /nfs/dbraw/zinc/29/98/40/309299840.db2.gz LDDYXYGFFKDZKT-UHFFFAOYSA-N 2 1 340.467 3.030 20 0 EGADMP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420924136 309301390 /nfs/dbraw/zinc/30/13/90/309301390.db2.gz RYIOPEXLQFFCNG-SFTDATJTSA-N 2 1 346.515 3.202 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420928804 309301869 /nfs/dbraw/zinc/30/18/69/309301869.db2.gz PVHVMNVUSBKURB-NVXWUHKLSA-N 2 1 335.492 3.414 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420928804 309301870 /nfs/dbraw/zinc/30/18/70/309301870.db2.gz PVHVMNVUSBKURB-NVXWUHKLSA-N 2 1 335.492 3.414 20 0 EGADMP C[C@@H](C[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1)c1nccs1 ZINC000420934495 309302337 /nfs/dbraw/zinc/30/23/37/309302337.db2.gz JBLVIJWDEFAVTH-INIZCTEOSA-N 2 1 345.512 3.211 20 0 EGADMP C[C@@H](C[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1)c1nccs1 ZINC000420934495 309302338 /nfs/dbraw/zinc/30/23/38/309302338.db2.gz JBLVIJWDEFAVTH-INIZCTEOSA-N 2 1 345.512 3.211 20 0 EGADMP CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420966894 309304867 /nfs/dbraw/zinc/30/48/67/309304867.db2.gz RXWRSQWQCHDAFX-RBUKOAKNSA-N 2 1 334.529 3.283 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](C)c3ccccc3)CC2)CC1 ZINC000420982573 309305779 /nfs/dbraw/zinc/30/57/79/309305779.db2.gz PMNLDMFYKURKTI-LJQANCHMSA-N 2 1 329.532 3.282 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422558915 309361564 /nfs/dbraw/zinc/36/15/64/309361564.db2.gz BGTCPGIGVVTXBE-YCPHGPKFSA-N 2 1 330.451 3.125 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1C[NH3+] ZINC000422561447 309361635 /nfs/dbraw/zinc/36/16/35/309361635.db2.gz LGMLVVGSWUPQKJ-AOIWGVFYSA-N 2 1 339.483 3.466 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000422625217 309362702 /nfs/dbraw/zinc/36/27/02/309362702.db2.gz AYORSRNILLZLSX-BFYDXBDKSA-N 2 1 325.456 3.084 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000422625217 309362703 /nfs/dbraw/zinc/36/27/03/309362703.db2.gz AYORSRNILLZLSX-BFYDXBDKSA-N 2 1 325.456 3.084 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422636682 309363142 /nfs/dbraw/zinc/36/31/42/309363142.db2.gz NLWIVKDPYSSCDA-ILXRZTDVSA-N 2 1 335.517 3.042 20 0 EGADMP [NH3+][C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000422721635 309364860 /nfs/dbraw/zinc/36/48/60/309364860.db2.gz VWEAJSRKTPYDQJ-BWAGFHJFSA-N 2 1 335.495 3.285 20 0 EGADMP CCOc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])ccc1OC ZINC000422729202 309365587 /nfs/dbraw/zinc/36/55/87/309365587.db2.gz KCSYCQCZFZMENL-QAPCUYQASA-N 2 1 328.456 3.142 20 0 EGADMP CC1CCN([C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c2ccccc2)CC1 ZINC000422731361 309365665 /nfs/dbraw/zinc/36/56/65/309365665.db2.gz GXXXUBMDWDLTHX-CEWLAPEOSA-N 2 1 329.532 3.437 20 0 EGADMP COc1ccc([C@H](CN[C@H]2CC[NH2+]CC[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000422760905 309367088 /nfs/dbraw/zinc/36/70/88/309367088.db2.gz MHBHMYMXCNEZRQ-YYWHXJBOSA-N 2 1 345.531 3.200 20 0 EGADMP CC[C@H]([NH2+]C[C@H](CO)Cc1c(F)cccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000422797775 309368766 /nfs/dbraw/zinc/36/87/66/309368766.db2.gz OKQMXCOSNAUFDY-BVGQSLNGSA-N 2 1 342.886 3.140 20 0 EGADMP COc1ccc([C@H](N[C@H]2CC[N@H+](C3CCCC3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422857035 309372169 /nfs/dbraw/zinc/37/21/69/309372169.db2.gz GMLWCMVAZGYVGU-WMQCIHAUSA-N 2 1 343.515 3.095 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c(OC[C@H]2CCCO2)c1 ZINC000422870762 309372972 /nfs/dbraw/zinc/37/29/72/309372972.db2.gz CFDJHHPORMOTPL-CEXWTWQISA-N 2 1 332.488 3.302 20 0 EGADMP CCCOc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422872285 309373026 /nfs/dbraw/zinc/37/30/26/309373026.db2.gz GMTYGZNJJOMRAU-CEXWTWQISA-N 2 1 332.488 3.031 20 0 EGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422882949 309373835 /nfs/dbraw/zinc/37/38/35/309373835.db2.gz PQUXZBBZCVXFCX-RCLSDMTESA-N 3 1 331.548 3.293 20 0 EGADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422882949 309373836 /nfs/dbraw/zinc/37/38/36/309373836.db2.gz PQUXZBBZCVXFCX-RCLSDMTESA-N 2 1 331.548 3.293 20 0 EGADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422882949 309373837 /nfs/dbraw/zinc/37/38/37/309373837.db2.gz PQUXZBBZCVXFCX-RCLSDMTESA-N 2 1 331.548 3.293 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000422886913 309374352 /nfs/dbraw/zinc/37/43/52/309374352.db2.gz AACBHWKTCHKDKE-HKUYNNGSSA-N 2 1 333.520 3.014 20 0 EGADMP CC[C@H]([NH2+][C@H]1CCN(c2cc(Cl)ccc2OC)C1)[C@@H]1CCC[NH2+]1 ZINC000422910886 309375719 /nfs/dbraw/zinc/37/57/19/309375719.db2.gz RTCILSKSFMTCEI-JYJNAYRXSA-N 2 1 337.895 3.048 20 0 EGADMP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH2+]CC1)CCS2 ZINC000422949763 309377732 /nfs/dbraw/zinc/37/77/32/309377732.db2.gz WHLBCYBPMFMEPO-ZDUSSCGKSA-N 2 1 327.291 3.328 20 0 EGADMP COc1cccc(COCC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000423003016 309380274 /nfs/dbraw/zinc/38/02/74/309380274.db2.gz KNONXZZNMZPZNV-CTNGQTDRSA-N 2 1 340.467 3.295 20 0 EGADMP C[C@H]1C[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000423005142 309380613 /nfs/dbraw/zinc/38/06/13/309380613.db2.gz QVUSBUYDQUDINW-ZZPLLCAGSA-N 3 1 327.516 3.160 20 0 EGADMP C[C@H](CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[NH+]1CCCCC1 ZINC000423035673 309382279 /nfs/dbraw/zinc/38/22/79/309382279.db2.gz SGOKMHWKXVSHCZ-LMNJBCLMSA-N 3 1 343.515 3.096 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423039050 309382345 /nfs/dbraw/zinc/38/23/45/309382345.db2.gz ZYWLOEODQOGACV-IAGOWNOFSA-N 2 1 342.314 3.427 20 0 EGADMP Fc1ccccc1[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423106315 309386280 /nfs/dbraw/zinc/38/62/80/309386280.db2.gz ZPCCRCMXEUHMNN-HGAKGQHFSA-N 2 1 332.463 3.209 20 0 EGADMP CC[C@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423144358 309388215 /nfs/dbraw/zinc/38/82/15/309388215.db2.gz YRWXSXBGWPIFPE-ACRUOGEOSA-N 2 1 329.532 3.409 20 0 EGADMP c1ccc([C@@H]2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423159101 309388650 /nfs/dbraw/zinc/38/86/50/309388650.db2.gz OTCXVTQXRVPUDH-IFLJBQAJSA-N 2 1 328.500 3.317 20 0 EGADMP COCCC[C@@H]([NH2+][C@H]1CCCNC1)c1ccc(Br)cc1 ZINC000423183865 309389550 /nfs/dbraw/zinc/38/95/50/309389550.db2.gz ICBFONMVMOXSHT-JKSUJKDBSA-N 2 1 341.293 3.258 20 0 EGADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000423188891 309389675 /nfs/dbraw/zinc/38/96/75/309389675.db2.gz ZNWHTWBVNCSUFO-INIZCTEOSA-N 2 1 342.487 3.311 20 0 EGADMP C[NH2+]CCC[NH2+][C@@H](c1ccc(OC)cc1Br)C(C)C ZINC000423201424 309390347 /nfs/dbraw/zinc/39/03/47/309390347.db2.gz OPWNMROLEFQZPC-OAHLLOKOSA-N 2 1 329.282 3.354 20 0 EGADMP [NH3+]C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000423223992 309391149 /nfs/dbraw/zinc/39/11/49/309391149.db2.gz BFSXPVVETVOXOS-BFGFKNPTSA-N 3 1 327.516 3.289 20 0 EGADMP [NH3+]C1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000423223992 309391150 /nfs/dbraw/zinc/39/11/50/309391150.db2.gz BFSXPVVETVOXOS-BFGFKNPTSA-N 2 1 327.516 3.289 20 0 EGADMP [NH3+]C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CCCCC1 ZINC000423264299 309392944 /nfs/dbraw/zinc/39/29/44/309392944.db2.gz PUTJQNWSHNKWOI-CBPXPLCBSA-N 2 1 341.543 3.394 20 0 EGADMP COCCC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc(Br)cc1 ZINC000423276601 309393480 /nfs/dbraw/zinc/39/34/80/309393480.db2.gz OPVWBOKUSXYIEK-JKSUJKDBSA-N 2 1 343.309 3.490 20 0 EGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423272530 309393647 /nfs/dbraw/zinc/39/36/47/309393647.db2.gz ZBXCUGACVQEMJH-RDJZCZTQSA-N 2 1 330.476 3.023 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423298157 309394564 /nfs/dbraw/zinc/39/45/64/309394564.db2.gz NITYCNSYPNRMOY-WBVHZDCISA-N 2 1 330.476 3.167 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H](N[C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423303526 309394642 /nfs/dbraw/zinc/39/46/42/309394642.db2.gz LYAGSXOMFZMMHI-XSDIEEQYSA-N 2 1 327.516 3.019 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423322576 309395193 /nfs/dbraw/zinc/39/51/93/309395193.db2.gz IVYVHKCZLUQDCV-JXFKEZNVSA-N 2 1 337.467 3.101 20 0 EGADMP Cc1c([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000423328424 309395295 /nfs/dbraw/zinc/39/52/95/309395295.db2.gz MEJTXAIWLFGQLX-KUHUBIRLSA-N 2 1 330.451 3.360 20 0 EGADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1Cl ZINC000423340955 309396255 /nfs/dbraw/zinc/39/62/55/309396255.db2.gz WCJHLJHYVQTQML-SJCJKPOMSA-N 2 1 326.868 3.398 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423351064 309396516 /nfs/dbraw/zinc/39/65/16/309396516.db2.gz HKAHRHBTSIJWEK-BHDDXSALSA-N 3 1 339.527 3.187 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])CC2CCCCC2)c1 ZINC000423378780 309397761 /nfs/dbraw/zinc/39/77/61/309397761.db2.gz ZWKOVNQNNFAEGO-HXUWFJFHSA-N 2 1 345.531 3.441 20 0 EGADMP COC(=O)c1cnc([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)s1 ZINC000423501398 309403386 /nfs/dbraw/zinc/40/33/86/309403386.db2.gz CSNRVODWQSGXSM-GXTWGEPZSA-N 2 1 333.457 3.061 20 0 EGADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424159945 309431427 /nfs/dbraw/zinc/43/14/27/309431427.db2.gz WJCHVJIERNRVLY-OALUTQOASA-N 2 1 346.519 3.260 20 0 EGADMP Cc1ccc(-c2nc(C[NH+]3CCC(OCCC[NH3+])CC3)cs2)o1 ZINC000430592567 309612271 /nfs/dbraw/zinc/61/22/71/309612271.db2.gz CHBDDMMZXJFAEC-UHFFFAOYSA-N 2 1 335.473 3.041 20 0 EGADMP CC1CC[NH+](CCN2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000434678005 309717624 /nfs/dbraw/zinc/71/76/24/309717624.db2.gz BBDVCOMJFNKMCL-UHFFFAOYSA-N 2 1 330.520 3.131 20 0 EGADMP CCOc1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000434685215 309717677 /nfs/dbraw/zinc/71/76/77/309717677.db2.gz OXONGEYGZUVPGJ-UHFFFAOYSA-N 2 1 340.471 3.393 20 0 EGADMP CCn1nnc(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000449081969 310035530 /nfs/dbraw/zinc/03/55/30/310035530.db2.gz JHYULBQNPPRMBH-INIZCTEOSA-N 2 1 341.503 3.271 20 0 EGADMP CCn1nnc(C)c1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000449081969 310035531 /nfs/dbraw/zinc/03/55/31/310035531.db2.gz JHYULBQNPPRMBH-INIZCTEOSA-N 2 1 341.503 3.271 20 0 EGADMP C[C@H](CC(C)(C)C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000449145187 310040246 /nfs/dbraw/zinc/04/02/46/310040246.db2.gz KTSOIHWHPKWGIR-VQIMIIECSA-N 2 1 345.531 3.298 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc3ccoc32)CCN1C1CC[NH+](C)CC1 ZINC000449325869 310053455 /nfs/dbraw/zinc/05/34/55/310053455.db2.gz QBXUTSLMPSAZNM-MRXNPFEDSA-N 2 1 327.472 3.033 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc2c(c1)OCCCCO2 ZINC000449325681 310053559 /nfs/dbraw/zinc/05/35/59/310053559.db2.gz ORXMNQSYCJLZDT-UHFFFAOYSA-N 2 1 329.444 3.265 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc2c(c1)OCCCCO2 ZINC000449325681 310053560 /nfs/dbraw/zinc/05/35/60/310053560.db2.gz ORXMNQSYCJLZDT-UHFFFAOYSA-N 2 1 329.444 3.265 20 0 EGADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000449383636 310057856 /nfs/dbraw/zinc/05/78/56/310057856.db2.gz IXLJJWJTIJREGL-NRFANRHFSA-N 2 1 344.547 3.146 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H]3[C@H]3CCC[C@@H]3O)sc2C1 ZINC000449465357 310064320 /nfs/dbraw/zinc/06/43/20/310064320.db2.gz CLASMGCRHAEYAI-OIISXLGYSA-N 2 1 349.544 3.035 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H]3[C@H]3CCC[C@@H]3O)sc2C1 ZINC000449465357 310064321 /nfs/dbraw/zinc/06/43/21/310064321.db2.gz CLASMGCRHAEYAI-OIISXLGYSA-N 2 1 349.544 3.035 20 0 EGADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H]3[C@H]3CCC[C@@H]3O)sc2C1 ZINC000449465357 310064322 /nfs/dbraw/zinc/06/43/22/310064322.db2.gz CLASMGCRHAEYAI-OIISXLGYSA-N 2 1 349.544 3.035 20 0 EGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@H]3[C@H]3CCC[C@@H]3O)sc2C1 ZINC000449465357 310064323 /nfs/dbraw/zinc/06/43/23/310064323.db2.gz CLASMGCRHAEYAI-OIISXLGYSA-N 2 1 349.544 3.035 20 0 EGADMP COC[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccc(Cl)cc1 ZINC000449478414 310065472 /nfs/dbraw/zinc/06/54/72/310065472.db2.gz KCQDFADYNRUECN-MRXNPFEDSA-N 2 1 333.863 3.321 20 0 EGADMP COCC1(C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCCC1 ZINC000449742904 310083644 /nfs/dbraw/zinc/08/36/44/310083644.db2.gz SCNAUSIPPRPBMA-UHFFFAOYSA-N 2 1 337.533 3.206 20 0 EGADMP COCC1(C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCCC1 ZINC000449742904 310083645 /nfs/dbraw/zinc/08/36/45/310083645.db2.gz SCNAUSIPPRPBMA-UHFFFAOYSA-N 2 1 337.533 3.206 20 0 EGADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449784166 310086992 /nfs/dbraw/zinc/08/69/92/310086992.db2.gz VPTFPXJKMAZOKS-MRXNPFEDSA-N 2 1 331.504 3.430 20 0 EGADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449784166 310086993 /nfs/dbraw/zinc/08/69/93/310086993.db2.gz VPTFPXJKMAZOKS-MRXNPFEDSA-N 2 1 331.504 3.430 20 0 EGADMP CCc1ccc2[nH+]ccc(N3C[C@H]([NH+]4CCOCC4)C[C@H]3C)c2c1 ZINC000450529655 310128421 /nfs/dbraw/zinc/12/84/21/310128421.db2.gz NSXBHABDBZMTSM-NVXWUHKLSA-N 2 1 325.456 3.097 20 0 EGADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450862770 310146623 /nfs/dbraw/zinc/14/66/23/310146623.db2.gz AJURILUCEYHWJP-XLIONFOSSA-N 2 1 340.467 3.398 20 0 EGADMP CCC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000453055609 310254709 /nfs/dbraw/zinc/25/47/09/310254709.db2.gz DUHKDITZCZYKBX-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CCC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000453058717 310254927 /nfs/dbraw/zinc/25/49/27/310254927.db2.gz LLLFVRWLIMHFFP-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453070162 310255831 /nfs/dbraw/zinc/25/58/31/310255831.db2.gz MSBYHFVWGWJFAC-XRXFAXGQSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453070162 310255832 /nfs/dbraw/zinc/25/58/32/310255832.db2.gz MSBYHFVWGWJFAC-XRXFAXGQSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453070162 310255833 /nfs/dbraw/zinc/25/58/33/310255833.db2.gz MSBYHFVWGWJFAC-XRXFAXGQSA-N 2 1 327.516 3.113 20 0 EGADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453070162 310255834 /nfs/dbraw/zinc/25/58/34/310255834.db2.gz MSBYHFVWGWJFAC-XRXFAXGQSA-N 2 1 327.516 3.113 20 0 EGADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453070162 310255835 /nfs/dbraw/zinc/25/58/35/310255835.db2.gz MSBYHFVWGWJFAC-XRXFAXGQSA-N 2 1 327.516 3.113 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)n(C)n1 ZINC000453222297 310264888 /nfs/dbraw/zinc/26/48/88/310264888.db2.gz YMOJTDRCZSLWMR-PWRODBHTSA-N 2 1 338.499 3.261 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)n(C)n1 ZINC000453222297 310264889 /nfs/dbraw/zinc/26/48/89/310264889.db2.gz YMOJTDRCZSLWMR-PWRODBHTSA-N 2 1 338.499 3.261 20 0 EGADMP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453274657 310268739 /nfs/dbraw/zinc/26/87/39/310268739.db2.gz KQYAQTVZQNFHRD-GFOJFJKKSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2[nH]c(=O)oc2c1 ZINC000453350824 310272475 /nfs/dbraw/zinc/27/24/75/310272475.db2.gz MDWZDWNNJDVTBC-KRWWSPQJSA-N 2 1 329.444 3.445 20 0 EGADMP C[C@@H](c1ccc(OCC[NH+](C)C)cc1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000453390975 310274341 /nfs/dbraw/zinc/27/43/41/310274341.db2.gz XSTSANUXZZTRHO-PXNSSMCTSA-N 2 1 332.488 3.191 20 0 EGADMP Cc1c([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)nnn1-c1ccc(C)cc1 ZINC000453404802 310275107 /nfs/dbraw/zinc/27/51/07/310275107.db2.gz PYIMSGYSRFAMSZ-INIZCTEOSA-N 2 1 341.503 3.409 20 0 EGADMP C[N@@H+](CCCC[NH2+]Cc1ccc(Oc2cnccn2)cc1)C1CC1 ZINC000453597988 310283466 /nfs/dbraw/zinc/28/34/66/310283466.db2.gz OXGJLMIVLSJYJK-UHFFFAOYSA-N 2 1 326.444 3.233 20 0 EGADMP COc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(Br)c1 ZINC000453601683 310283692 /nfs/dbraw/zinc/28/36/92/310283692.db2.gz VENOLAUICQBRPB-UHFFFAOYSA-N 2 1 341.293 3.422 20 0 EGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455947564 310383105 /nfs/dbraw/zinc/38/31/05/310383105.db2.gz XKNWFCWENMOTEV-BEFAXECRSA-N 2 1 344.503 3.041 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)c1ccccc1 ZINC000482140079 310926843 /nfs/dbraw/zinc/92/68/43/310926843.db2.gz VZDMBZWVEVKBLX-HKUYNNGSSA-N 2 1 331.504 3.140 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]C/C=C\c3ccncc3)CC2)oc1C ZINC000487305506 311019790 /nfs/dbraw/zinc/01/97/90/311019790.db2.gz CSSXPULVGQSBME-ARJAWSKDSA-N 2 1 340.471 3.201 20 0 EGADMP CC[N@@H+](CC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)C1CC1 ZINC000488365410 311062544 /nfs/dbraw/zinc/06/25/44/311062544.db2.gz XHVIHAKUVVQJTQ-QGZVFWFLSA-N 2 1 343.515 3.251 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000494658378 311499906 /nfs/dbraw/zinc/49/99/06/311499906.db2.gz GOWATVDQRNZPGD-UHFFFAOYSA-N 2 1 336.480 3.007 20 0 EGADMP C[C@@H](NCCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700770 312100330 /nfs/dbraw/zinc/10/03/30/312100330.db2.gz UZWCGCSTTOIYMZ-CTNGQTDRSA-N 2 1 329.532 3.363 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508700770 312100333 /nfs/dbraw/zinc/10/03/33/312100333.db2.gz UZWCGCSTTOIYMZ-CTNGQTDRSA-N 3 1 329.532 3.363 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700770 312100336 /nfs/dbraw/zinc/10/03/36/312100336.db2.gz UZWCGCSTTOIYMZ-CTNGQTDRSA-N 3 1 329.532 3.363 20 0 EGADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000512178315 312178123 /nfs/dbraw/zinc/17/81/23/312178123.db2.gz IYUDJHDFDYHCJC-IBGZPJMESA-N 2 1 344.499 3.417 20 0 EGADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000512178315 312178124 /nfs/dbraw/zinc/17/81/24/312178124.db2.gz IYUDJHDFDYHCJC-IBGZPJMESA-N 2 1 344.499 3.417 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCOCC4CC4)[C@@H]3C2)cc1 ZINC000512643732 312190929 /nfs/dbraw/zinc/19/09/29/312190929.db2.gz XYZYBEKFMRNBRD-HBMCJLEFSA-N 2 1 328.500 3.303 20 0 EGADMP Cc1n[nH]c(C)c1C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513495479 312211505 /nfs/dbraw/zinc/21/15/05/312211505.db2.gz QFXSZZXFGXDXMK-KXBFYZLASA-N 2 1 326.488 3.417 20 0 EGADMP CC[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513673736 312215344 /nfs/dbraw/zinc/21/53/44/312215344.db2.gz WLMYJJPPBSHBTI-XSDIEEQYSA-N 2 1 330.516 3.428 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)CCc1ccc(Br)cc1 ZINC000514871668 312251264 /nfs/dbraw/zinc/25/12/64/312251264.db2.gz ZGGDNVBMAYOFOC-UHFFFAOYSA-N 2 1 336.277 3.290 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCc1ccc(Br)cc1 ZINC000514871668 312251266 /nfs/dbraw/zinc/25/12/66/312251266.db2.gz ZGGDNVBMAYOFOC-UHFFFAOYSA-N 2 1 336.277 3.290 20 0 EGADMP Clc1cccc(-n2ccnc2)c1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000515373264 312279597 /nfs/dbraw/zinc/27/95/97/312279597.db2.gz ZGPZVGATMBLMKE-UHFFFAOYSA-N 2 1 339.830 3.483 20 0 EGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Nc2ccccc2Cl)CC1 ZINC000517560421 312383458 /nfs/dbraw/zinc/38/34/58/312383458.db2.gz VIGDBTTWWGSEIH-UHFFFAOYSA-N 2 1 345.834 3.131 20 0 EGADMP Cc1cc(F)ccc1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000521805113 312559284 /nfs/dbraw/zinc/55/92/84/312559284.db2.gz VEEXIYCXKWTYJR-SFHVURJKSA-N 2 1 347.503 3.274 20 0 EGADMP CCN(C(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC000522546185 312592032 /nfs/dbraw/zinc/59/20/32/312592032.db2.gz AFIVAPCFHARTQZ-AEFFLSMTSA-N 2 1 333.520 3.384 20 0 EGADMP CCn1cncc1CN1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC000529639305 313376246 /nfs/dbraw/zinc/37/62/46/313376246.db2.gz ARFGEVQKFKNHHO-HXUWFJFHSA-N 2 1 326.488 3.245 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccco2)cc1 ZINC000532025435 313745492 /nfs/dbraw/zinc/74/54/92/313745492.db2.gz RMIQQOBDKOOLSR-NVXWUHKLSA-N 2 1 339.439 3.276 20 0 EGADMP Cc1ccncc1[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000536770499 314145133 /nfs/dbraw/zinc/14/51/33/314145133.db2.gz DNPPWGQXNQQJGR-WMZOPIPTSA-N 2 1 344.528 3.091 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000537919038 314216797 /nfs/dbraw/zinc/21/67/97/314216797.db2.gz CGYOYHVNNZJCSJ-SJLPKXTDSA-N 2 1 344.499 3.199 20 0 EGADMP CC[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000538724167 314270030 /nfs/dbraw/zinc/27/00/30/314270030.db2.gz WINMXIRCXWMMED-QKNQBKEWSA-N 2 1 329.532 3.138 20 0 EGADMP C[C@H](CCc1ccccc1)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000539405299 314312032 /nfs/dbraw/zinc/31/20/32/314312032.db2.gz SSVDIAAQWXKVFE-GFOJFJKKSA-N 2 1 330.516 3.439 20 0 EGADMP CCC[C@H]1CN(CC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000540520179 314386688 /nfs/dbraw/zinc/38/66/88/314386688.db2.gz OGOLDVWBGJMKCY-RTWAWAEBSA-N 2 1 329.532 3.457 20 0 EGADMP CCC[C@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000540520179 314386693 /nfs/dbraw/zinc/38/66/93/314386693.db2.gz OGOLDVWBGJMKCY-RTWAWAEBSA-N 2 1 329.532 3.457 20 0 EGADMP CCC[C@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000540520179 314386696 /nfs/dbraw/zinc/38/66/96/314386696.db2.gz OGOLDVWBGJMKCY-RTWAWAEBSA-N 2 1 329.532 3.457 20 0 EGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1CCC12CCOCC2)c1ccccc1 ZINC000548794056 315048206 /nfs/dbraw/zinc/04/82/06/315048206.db2.gz SMEXQSOGNYQHFF-UXHICEINSA-N 2 1 346.515 3.245 20 0 EGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1CCC12CCOCC2)c1ccccc1 ZINC000548794056 315048208 /nfs/dbraw/zinc/04/82/08/315048208.db2.gz SMEXQSOGNYQHFF-UXHICEINSA-N 2 1 346.515 3.245 20 0 EGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000550148048 315118360 /nfs/dbraw/zinc/11/83/60/315118360.db2.gz KRYHLRYXBOTTOM-UHFFFAOYSA-N 2 1 345.531 3.054 20 0 EGADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)ccn1 ZINC000550886332 315137195 /nfs/dbraw/zinc/13/71/95/315137195.db2.gz OLJJKXCNZHSSHL-MJGOQNOKSA-N 2 1 339.483 3.305 20 0 EGADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)ccn1 ZINC000550886332 315137200 /nfs/dbraw/zinc/13/72/00/315137200.db2.gz OLJJKXCNZHSSHL-MJGOQNOKSA-N 2 1 339.483 3.305 20 0 EGADMP CC(C)[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552046588 315192660 /nfs/dbraw/zinc/19/26/60/315192660.db2.gz LSCQLAXDPHLJCV-PLACYPQZSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000554346935 315311461 /nfs/dbraw/zinc/31/14/61/315311461.db2.gz KMRRGSZMHVBXTF-XUWVNRHRSA-N 2 1 336.442 3.444 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000555548576 315389590 /nfs/dbraw/zinc/38/95/90/315389590.db2.gz AKXCBDDOGYOGSB-UKRRQHHQSA-N 2 1 337.305 3.238 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H]3CCC(C)(C)C3)CC2)CC1 ZINC000563392944 316013372 /nfs/dbraw/zinc/01/33/72/316013372.db2.gz RNSRJLWMRUDHBQ-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]([NH2+]C(C)(C)CNC[C@H](O)Cc1ccccc1)c1ccccc1 ZINC000563707362 316059172 /nfs/dbraw/zinc/05/91/72/316059172.db2.gz KEXZOAIXCGORGA-FXAWDEMLSA-N 2 1 326.484 3.309 20 0 EGADMP CC(C)CC[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000563842175 316077336 /nfs/dbraw/zinc/07/73/36/316077336.db2.gz OJXJKTYWVJWMJE-ACRUOGEOSA-N 2 1 330.516 3.237 20 0 EGADMP CC(C)CC[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000563842175 316077339 /nfs/dbraw/zinc/07/73/39/316077339.db2.gz OJXJKTYWVJWMJE-ACRUOGEOSA-N 2 1 330.516 3.237 20 0 EGADMP CC(C)CC[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000563842175 316077341 /nfs/dbraw/zinc/07/73/41/316077341.db2.gz OJXJKTYWVJWMJE-ACRUOGEOSA-N 2 1 330.516 3.237 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)N2CCCCC2)cc1 ZINC000563898700 316087990 /nfs/dbraw/zinc/08/79/90/316087990.db2.gz OXBZBJLMFJWHQB-HBFSDRIKSA-N 2 1 331.504 3.082 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C[C@@H]1C ZINC000564459659 316155713 /nfs/dbraw/zinc/15/57/13/316155713.db2.gz LVBSBGUUTNKGSX-NSHGMRRFSA-N 2 1 345.531 3.285 20 0 EGADMP Cc1cc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)ccc1F ZINC000566905600 316543042 /nfs/dbraw/zinc/54/30/42/316543042.db2.gz JVLVVZUYUCAEBL-KRWDZBQOSA-N 2 1 344.434 3.148 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2ncccc2C(F)(F)F)c2ccccc21 ZINC000567647770 316649449 /nfs/dbraw/zinc/64/94/49/316649449.db2.gz YZAZCOZAUZNZTK-CABCVRRESA-N 2 1 337.345 3.214 20 0 EGADMP C[C@H](CCSc1ccccc1)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000570970501 317134208 /nfs/dbraw/zinc/13/42/08/317134208.db2.gz OANKDSKDNKZYHX-QGZVFWFLSA-N 2 1 348.556 3.384 20 0 EGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000571391503 317192079 /nfs/dbraw/zinc/19/20/79/317192079.db2.gz PBYBSUQAEAOJIT-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000571391503 317192081 /nfs/dbraw/zinc/19/20/81/317192081.db2.gz PBYBSUQAEAOJIT-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000571391503 317192084 /nfs/dbraw/zinc/19/20/84/317192084.db2.gz PBYBSUQAEAOJIT-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1CC ZINC000571690415 317233357 /nfs/dbraw/zinc/23/33/57/317233357.db2.gz YXWNRPRUACUKPX-WMZOPIPTSA-N 2 1 331.504 3.430 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1CC ZINC000571690415 317233359 /nfs/dbraw/zinc/23/33/59/317233359.db2.gz YXWNRPRUACUKPX-WMZOPIPTSA-N 2 1 331.504 3.430 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccncc1 ZINC000571853205 317256019 /nfs/dbraw/zinc/25/60/19/317256019.db2.gz JUUXZEJRELIOTD-MSOLQXFVSA-N 2 1 344.528 3.173 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000571926551 317266918 /nfs/dbraw/zinc/26/69/18/317266918.db2.gz VSLDYXGEOALPJQ-SJORKVTESA-N 2 1 335.517 3.129 20 0 EGADMP CCc1ccc(-c2noc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)n2)cc1 ZINC000571992474 317275920 /nfs/dbraw/zinc/27/59/20/317275920.db2.gz CLKFRXHKDDXFNK-HNNXBMFYSA-N 2 1 340.471 3.263 20 0 EGADMP c1nc2ccccn2c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000572170406 317301113 /nfs/dbraw/zinc/30/11/13/317301113.db2.gz PMBSDIOVDVUYCK-VQTJNVASSA-N 2 1 346.478 3.288 20 0 EGADMP c1nc2ccccn2c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000572170406 317301116 /nfs/dbraw/zinc/30/11/16/317301116.db2.gz PMBSDIOVDVUYCK-VQTJNVASSA-N 2 1 346.478 3.288 20 0 EGADMP c1nc2ccccn2c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000572170406 317301120 /nfs/dbraw/zinc/30/11/20/317301120.db2.gz PMBSDIOVDVUYCK-VQTJNVASSA-N 2 1 346.478 3.288 20 0 EGADMP c1nc2ccccn2c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000572170406 317301122 /nfs/dbraw/zinc/30/11/22/317301122.db2.gz PMBSDIOVDVUYCK-VQTJNVASSA-N 2 1 346.478 3.288 20 0 EGADMP COc1ccc(Br)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252854978 455829879 /nfs/dbraw/zinc/82/98/79/455829879.db2.gz JYOHPVAMDPKLAZ-HZUKXOBISA-N 2 1 339.277 3.017 20 0 EGADMP COc1ccc(Br)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252854978 455829886 /nfs/dbraw/zinc/82/98/86/455829886.db2.gz JYOHPVAMDPKLAZ-HZUKXOBISA-N 2 1 339.277 3.017 20 0 EGADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C[NH3+] ZINC000262449842 456037237 /nfs/dbraw/zinc/03/72/37/456037237.db2.gz HSFPDOUXNXQPSX-NWDGAFQWSA-N 2 1 344.286 3.239 20 0 EGADMP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N(CC(C)C)C(C)C)C2)[nH+]1 ZINC000171649177 323244837 /nfs/dbraw/zinc/24/48/37/323244837.db2.gz MHXCLPHRWMDKDI-GOSISDBHSA-N 2 1 346.519 3.017 20 0 EGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000379422744 324240610 /nfs/dbraw/zinc/24/06/10/324240610.db2.gz BDSCTDXMQFEELU-MGNMYUMUSA-N 2 1 339.524 3.237 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379676221 324241987 /nfs/dbraw/zinc/24/19/87/324241987.db2.gz YWEYUNKLCLJVGH-QXAKKESOSA-N 2 1 345.531 3.180 20 0 EGADMP C[C@@H]1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000382720139 324252736 /nfs/dbraw/zinc/25/27/36/324252736.db2.gz LICUSGFVNVATTD-MISYRCLQSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000579022582 325052380 /nfs/dbraw/zinc/05/23/80/325052380.db2.gz GVWXKZFYJDSHQJ-HUUCEWRRSA-N 2 1 328.460 3.412 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000579022582 325052383 /nfs/dbraw/zinc/05/23/83/325052383.db2.gz GVWXKZFYJDSHQJ-HUUCEWRRSA-N 2 1 328.460 3.412 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000579255111 325086291 /nfs/dbraw/zinc/08/62/91/325086291.db2.gz NRSQXPRTLDCBEJ-VQTJNVASSA-N 2 1 346.515 3.072 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000579255111 325086295 /nfs/dbraw/zinc/08/62/95/325086295.db2.gz NRSQXPRTLDCBEJ-VQTJNVASSA-N 2 1 346.515 3.072 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000579335184 325096355 /nfs/dbraw/zinc/09/63/55/325096355.db2.gz LKEWVRHMJKLWOD-ZWKOTPCHSA-N 2 1 333.451 3.069 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000579335184 325096359 /nfs/dbraw/zinc/09/63/59/325096359.db2.gz LKEWVRHMJKLWOD-ZWKOTPCHSA-N 2 1 333.451 3.069 20 0 EGADMP CCC(CC)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000579407928 325104188 /nfs/dbraw/zinc/10/41/88/325104188.db2.gz RBUMKANDPOSYDG-NRFANRHFSA-N 2 1 329.532 3.315 20 0 EGADMP Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)co2)cc1F ZINC000579717574 325150114 /nfs/dbraw/zinc/15/01/14/325150114.db2.gz DHJDPMSXZPBTSN-LSDHHAIUSA-N 2 1 347.409 3.441 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000581879865 325395553 /nfs/dbraw/zinc/39/55/53/325395553.db2.gz CRLMEZSQIPFYEH-KVSKMBFKSA-N 2 1 336.907 3.411 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000581879865 325395554 /nfs/dbraw/zinc/39/55/54/325395554.db2.gz CRLMEZSQIPFYEH-KVSKMBFKSA-N 2 1 336.907 3.411 20 0 EGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000582235481 325424904 /nfs/dbraw/zinc/42/49/04/325424904.db2.gz QKTBSOBJOUGNNW-QZTJIDSGSA-N 2 1 338.455 3.084 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1O ZINC000583071934 325492896 /nfs/dbraw/zinc/49/28/96/325492896.db2.gz HOIKFJZYIRXBQR-FUHWJXTLSA-N 2 1 344.430 3.023 20 0 EGADMP CCS[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000594496154 459060389 /nfs/dbraw/zinc/06/03/89/459060389.db2.gz INVRUSOXXPFFEH-FGTMMUONSA-N 2 1 326.550 3.284 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCCn1ccnc1 ZINC000189954120 455259422 /nfs/dbraw/zinc/25/94/22/455259422.db2.gz URISGUPAKDVOJI-UFRUDQCGSA-N 3 1 326.488 3.019 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CCCn1ccnc1 ZINC000189954120 455259428 /nfs/dbraw/zinc/25/94/28/455259428.db2.gz URISGUPAKDVOJI-UFRUDQCGSA-N 3 1 326.488 3.019 20 0 EGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183402726 455288008 /nfs/dbraw/zinc/28/80/08/455288008.db2.gz LPAYWTXXDDKHCD-HZPDHXFCSA-N 2 1 327.513 3.096 20 0 EGADMP CC[N@H+](C)CCNc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000066373502 453840179 /nfs/dbraw/zinc/84/01/79/453840179.db2.gz FASXBRGANXZVIF-UHFFFAOYSA-N 2 1 347.532 3.268 20 0 EGADMP CC[N@@H+](C)CCNc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000066373502 453840180 /nfs/dbraw/zinc/84/01/80/453840180.db2.gz FASXBRGANXZVIF-UHFFFAOYSA-N 2 1 347.532 3.268 20 0 EGADMP C[N@@H+](CCOCC(F)(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174399058 455387180 /nfs/dbraw/zinc/38/71/80/455387180.db2.gz PMUWEHZAWABWSJ-MRXNPFEDSA-N 2 1 330.394 3.019 20 0 EGADMP C[NH+](CCOCC(F)(F)F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174399058 455387185 /nfs/dbraw/zinc/38/71/85/455387185.db2.gz PMUWEHZAWABWSJ-MRXNPFEDSA-N 2 1 330.394 3.019 20 0 EGADMP C[NH+](CCOCC(F)(F)F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174399058 455387189 /nfs/dbraw/zinc/38/71/89/455387189.db2.gz PMUWEHZAWABWSJ-MRXNPFEDSA-N 2 1 330.394 3.019 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000067507181 453936678 /nfs/dbraw/zinc/93/66/78/453936678.db2.gz DGBZSKYIJPYHOK-LJQANCHMSA-N 2 1 339.483 3.481 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000077318806 454090275 /nfs/dbraw/zinc/09/02/75/454090275.db2.gz ZOYDSOAITVHHIF-QZTJIDSGSA-N 2 1 343.515 3.019 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000089513679 454158491 /nfs/dbraw/zinc/15/84/91/454158491.db2.gz GQPQIXKINPBXCB-VDZJLULYSA-N 2 1 329.488 3.388 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000089513679 454158493 /nfs/dbraw/zinc/15/84/93/454158493.db2.gz GQPQIXKINPBXCB-VDZJLULYSA-N 2 1 329.488 3.388 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)cc1 ZINC000089628728 454170108 /nfs/dbraw/zinc/17/01/08/454170108.db2.gz YWFSXZGQCGFILF-CQSZACIVSA-N 2 1 349.500 3.045 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2c2ccc(C)cc2)CC1 ZINC000130917730 454225562 /nfs/dbraw/zinc/22/55/62/454225562.db2.gz ZAFWILXHAQNSRL-FQEVSTJZSA-N 2 1 343.515 3.123 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000120002835 454246073 /nfs/dbraw/zinc/24/60/73/454246073.db2.gz ZTGNKTGXLZNURJ-DVOMOZLQSA-N 2 1 330.394 3.446 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]CCC[N@@H+]3CCCC[C@@H]3C)c(C)n2n1 ZINC000120143096 454263481 /nfs/dbraw/zinc/26/34/81/454263481.db2.gz BCQBLWHFFKZXRV-JKSUJKDBSA-N 2 1 329.492 3.261 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]CCC[N@H+]3CCCC[C@@H]3C)c(C)n2n1 ZINC000120143096 454263488 /nfs/dbraw/zinc/26/34/88/454263488.db2.gz BCQBLWHFFKZXRV-JKSUJKDBSA-N 2 1 329.492 3.261 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]CCC[NH+]3CCC(C)CC3)c(C)n2n1 ZINC000120574997 454320966 /nfs/dbraw/zinc/32/09/66/454320966.db2.gz YQNZWRKIKUSIEU-INIZCTEOSA-N 2 1 329.492 3.119 20 0 EGADMP Cc1cc(N2CC[NH+](Cc3ccccn3)CC2)c2cc(F)ccc2[nH+]1 ZINC000120640063 454329814 /nfs/dbraw/zinc/32/98/14/454329814.db2.gz MOBUDLOXGKUOMZ-UHFFFAOYSA-N 2 1 336.414 3.400 20 0 EGADMP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000090936465 454351419 /nfs/dbraw/zinc/35/14/19/454351419.db2.gz LHBASTMFKNJRCY-RYQLBKOJSA-N 2 1 332.488 3.099 20 0 EGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000120810787 454351410 /nfs/dbraw/zinc/35/14/10/454351410.db2.gz IZPWJIOJMGCKBV-OAHLLOKOSA-N 2 1 348.441 3.199 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000120810787 454351411 /nfs/dbraw/zinc/35/14/11/454351411.db2.gz IZPWJIOJMGCKBV-OAHLLOKOSA-N 2 1 348.441 3.199 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC34CC5CC(CC(C5)C3)C4)C2)CC1 ZINC000132982726 454382711 /nfs/dbraw/zinc/38/27/11/454382711.db2.gz HKLVNGYDUUQBQA-SWXIYASGSA-N 2 1 345.575 3.305 20 0 EGADMP C[C@H](NCC[N@@H+](C)C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000133198929 454400997 /nfs/dbraw/zinc/40/09/97/454400997.db2.gz HTTFGCXRYFWVKY-KRWDZBQOSA-N 2 1 333.520 3.152 20 0 EGADMP C[C@H]([NH2+]CCN(C)C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000133198929 454401003 /nfs/dbraw/zinc/40/10/03/454401003.db2.gz HTTFGCXRYFWVKY-KRWDZBQOSA-N 2 1 333.520 3.152 20 0 EGADMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000063319808 454406450 /nfs/dbraw/zinc/40/64/50/454406450.db2.gz WDTQXKOZOJDAIP-UHFFFAOYSA-N 2 1 329.488 3.389 20 0 EGADMP O[C@@H](C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)C[NH+]1CCCC1 ZINC000091306333 454424171 /nfs/dbraw/zinc/42/41/71/454424171.db2.gz RYIWPFTWAXWAMS-IRXDYDNUSA-N 2 1 342.405 3.203 20 0 EGADMP CC[NH+](CC)CC1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000047978667 454428276 /nfs/dbraw/zinc/42/82/76/454428276.db2.gz DVHLZUSAKBAXCM-UHFFFAOYSA-N 2 1 328.460 3.290 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000063756102 454446151 /nfs/dbraw/zinc/44/61/51/454446151.db2.gz GDHYLLHLYBQINE-QGZVFWFLSA-N 2 1 331.504 3.019 20 0 EGADMP CCC[NH+](C)CC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000063756102 454446155 /nfs/dbraw/zinc/44/61/55/454446155.db2.gz GDHYLLHLYBQINE-QGZVFWFLSA-N 2 1 331.504 3.019 20 0 EGADMP CCC[NH+](C)CC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000063756102 454446158 /nfs/dbraw/zinc/44/61/58/454446158.db2.gz GDHYLLHLYBQINE-QGZVFWFLSA-N 2 1 331.504 3.019 20 0 EGADMP CC(C)CC[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000079996239 454513716 /nfs/dbraw/zinc/51/37/16/454513716.db2.gz NQWLIHSCCMAFIO-UHFFFAOYSA-N 2 1 348.535 3.271 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000092487283 454574050 /nfs/dbraw/zinc/57/40/50/454574050.db2.gz PICGCFLWGCWEEL-FXAWDEMLSA-N 2 1 345.531 3.216 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(O)cc2)[C@H](C)C1 ZINC000122914026 454580959 /nfs/dbraw/zinc/58/09/59/454580959.db2.gz BEDGRBDOIWEWIZ-FUHIMQAGSA-N 2 1 334.504 3.050 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](CCC(N)=O)C1 ZINC000092660430 454603891 /nfs/dbraw/zinc/60/38/91/454603891.db2.gz SFKODLCIZZLZBV-IBGZPJMESA-N 2 1 345.531 3.122 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000092660430 454603893 /nfs/dbraw/zinc/60/38/93/454603893.db2.gz SFKODLCIZZLZBV-IBGZPJMESA-N 2 1 345.531 3.122 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000092660430 454603897 /nfs/dbraw/zinc/60/38/97/454603897.db2.gz SFKODLCIZZLZBV-IBGZPJMESA-N 2 1 345.531 3.122 20 0 EGADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134896010 454604790 /nfs/dbraw/zinc/60/47/90/454604790.db2.gz UHVXJIRUWDRIER-KWXDATOUSA-N 2 1 347.547 3.113 20 0 EGADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134896010 454604795 /nfs/dbraw/zinc/60/47/95/454604795.db2.gz UHVXJIRUWDRIER-KWXDATOUSA-N 2 1 347.547 3.113 20 0 EGADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134896010 454604798 /nfs/dbraw/zinc/60/47/98/454604798.db2.gz UHVXJIRUWDRIER-KWXDATOUSA-N 2 1 347.547 3.113 20 0 EGADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134896010 454604800 /nfs/dbraw/zinc/60/48/00/454604800.db2.gz UHVXJIRUWDRIER-KWXDATOUSA-N 2 1 347.547 3.113 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)s1 ZINC000092740019 454621864 /nfs/dbraw/zinc/62/18/64/454621864.db2.gz DCKMSOFUHBSUAW-GJZGRUSLSA-N 2 1 339.549 3.413 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000092745671 454623780 /nfs/dbraw/zinc/62/37/80/454623780.db2.gz NJWUAHPTYRSLKS-FUHWJXTLSA-N 2 1 327.447 3.436 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000092745671 454623781 /nfs/dbraw/zinc/62/37/81/454623781.db2.gz NJWUAHPTYRSLKS-FUHWJXTLSA-N 2 1 327.447 3.436 20 0 EGADMP CC(=O)NCCc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000092752563 454625030 /nfs/dbraw/zinc/62/50/30/454625030.db2.gz LLMABJGYLSOKRY-INIZCTEOSA-N 2 1 342.487 3.001 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000066050061 454655925 /nfs/dbraw/zinc/65/59/25/454655925.db2.gz CQXLERFAZWDYBT-HXUWFJFHSA-N 2 1 343.515 3.014 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000152654625 454707123 /nfs/dbraw/zinc/70/71/23/454707123.db2.gz SXRAPJNJHKVVDK-OGHNNQOOSA-N 2 1 337.895 3.295 20 0 EGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Cl)s1 ZINC000124368296 454724577 /nfs/dbraw/zinc/72/45/77/454724577.db2.gz WJROCKBUCVEXMC-ZDUSSCGKSA-N 2 1 329.941 3.326 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000635013588 460655252 /nfs/dbraw/zinc/65/52/52/460655252.db2.gz ZMNRCPIHEQKIGO-DFQSSKMNSA-N 3 1 329.532 3.265 20 0 EGADMP C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000635013588 460655264 /nfs/dbraw/zinc/65/52/64/460655264.db2.gz ZMNRCPIHEQKIGO-DFQSSKMNSA-N 2 1 329.532 3.265 20 0 EGADMP C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000635013588 460655272 /nfs/dbraw/zinc/65/52/72/460655272.db2.gz ZMNRCPIHEQKIGO-DFQSSKMNSA-N 2 1 329.532 3.265 20 0 EGADMP COC(=O)c1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c[nH]1 ZINC000093844572 454739536 /nfs/dbraw/zinc/73/95/36/454739536.db2.gz GKHVBSGQLOVZLD-MRXNPFEDSA-N 2 1 347.503 3.278 20 0 EGADMP CCOc1ccccc1[C@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124510641 454743057 /nfs/dbraw/zinc/74/30/57/454743057.db2.gz JAARRBXQTJTPEC-KRWDZBQOSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000153044203 454755510 /nfs/dbraw/zinc/75/55/10/454755510.db2.gz MYSJWXPYFUVQEZ-CVEARBPZSA-N 2 1 339.524 3.144 20 0 EGADMP C[C@H](CCc1ccc(O)cc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000136765013 454755773 /nfs/dbraw/zinc/75/57/73/454755773.db2.gz MQHKPJUVKBROKB-GOSISDBHSA-N 2 1 346.515 3.338 20 0 EGADMP Cc1cccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000620437317 460653149 /nfs/dbraw/zinc/65/31/49/460653149.db2.gz GDOBXBCFGGRUBJ-GOSISDBHSA-N 2 1 329.513 3.135 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccccc2OCC)CC1 ZINC000137302648 454775445 /nfs/dbraw/zinc/77/54/45/454775445.db2.gz WRONXXJCKSGWIZ-UHFFFAOYSA-N 2 1 347.503 3.220 20 0 EGADMP CC(C)[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC000153403937 454790507 /nfs/dbraw/zinc/79/05/07/454790507.db2.gz ZSTXQCACCCPOSJ-QGZVFWFLSA-N 2 1 349.485 3.359 20 0 EGADMP CCC[C@H](CC)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000125242519 454806206 /nfs/dbraw/zinc/80/62/06/454806206.db2.gz ANDGFTKRTIMZFX-SFHVURJKSA-N 2 1 347.503 3.016 20 0 EGADMP C[C@@H](N[C@H]1CC[N@H+](C2CCCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000153713807 454823675 /nfs/dbraw/zinc/82/36/75/454823675.db2.gz CISTVZYITFGOPD-MJGOQNOKSA-N 2 1 345.531 3.295 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(C2CCCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000153713807 454823677 /nfs/dbraw/zinc/82/36/77/454823677.db2.gz CISTVZYITFGOPD-MJGOQNOKSA-N 2 1 345.531 3.295 20 0 EGADMP COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000163248505 454833601 /nfs/dbraw/zinc/83/36/01/454833601.db2.gz UCVSSBAVRGNABE-LJQANCHMSA-N 2 1 332.488 3.263 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000111039392 454855966 /nfs/dbraw/zinc/85/59/66/454855966.db2.gz OVBFYFZYVYJTFM-IBGZPJMESA-N 2 1 331.504 3.062 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000163708946 454861864 /nfs/dbraw/zinc/86/18/64/454861864.db2.gz UXTOMYBQXJVVOH-MRXNPFEDSA-N 2 1 338.459 3.245 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000163708946 454861866 /nfs/dbraw/zinc/86/18/66/454861866.db2.gz UXTOMYBQXJVVOH-MRXNPFEDSA-N 2 1 338.459 3.245 20 0 EGADMP C[N@H+](Cc1ccc(Br)c(F)c1)CC1CC[NH+](C)CC1 ZINC000177707110 454894481 /nfs/dbraw/zinc/89/44/81/454894481.db2.gz MAUNOECQEIHFTC-UHFFFAOYSA-N 2 1 329.257 3.362 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000165343504 454899246 /nfs/dbraw/zinc/89/92/46/454899246.db2.gz NXAJYAKAFFIOAV-INIZCTEOSA-N 2 1 326.444 3.135 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000177838005 454912362 /nfs/dbraw/zinc/91/23/62/454912362.db2.gz FILFSDYBMQZJOK-RKVPGOIHSA-N 2 1 341.455 3.350 20 0 EGADMP CCC[N@H+](CCCn1cc[nH+]c1C)C[C@H]1COc2ccccc2O1 ZINC000127301427 454952940 /nfs/dbraw/zinc/95/29/40/454952940.db2.gz ZLXBDKDDRFYRAI-KRWDZBQOSA-N 2 1 329.444 3.134 20 0 EGADMP CCC[N@@H+](CCCn1cc[nH+]c1C)C[C@H]1COc2ccccc2O1 ZINC000127301427 454952944 /nfs/dbraw/zinc/95/29/44/454952944.db2.gz ZLXBDKDDRFYRAI-KRWDZBQOSA-N 2 1 329.444 3.134 20 0 EGADMP CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178716104 454969271 /nfs/dbraw/zinc/96/92/71/454969271.db2.gz TZNGYXRKYFPGLE-LSDHHAIUSA-N 2 1 328.460 3.136 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2CC2CCCCC2)CC1 ZINC000127727632 454991438 /nfs/dbraw/zinc/99/14/38/454991438.db2.gz FHZKWCUAPOECCN-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2nc(C)c(C)s2)[C@H](C)C1 ZINC000127722184 454991876 /nfs/dbraw/zinc/99/18/76/454991876.db2.gz GJUKNKYSTWPQEV-RHSMWYFYSA-N 2 1 339.549 3.029 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000127944001 455011522 /nfs/dbraw/zinc/01/15/22/455011522.db2.gz GRVVUXSMDITDJV-LPHOPBHVSA-N 2 1 331.504 3.048 20 0 EGADMP c1ccc(-c2nnc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)o2)cc1 ZINC000179170073 455015889 /nfs/dbraw/zinc/01/58/89/455015889.db2.gz RLHHKJYJCSDTRV-SJLPKXTDSA-N 2 1 338.455 3.185 20 0 EGADMP COCc1cccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000179208050 455019395 /nfs/dbraw/zinc/01/93/95/455019395.db2.gz OXUXKQHEFSESEF-HDICACEKSA-N 2 1 346.515 3.154 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC[NH+]1C ZINC000155766252 455042251 /nfs/dbraw/zinc/04/22/51/455042251.db2.gz OKNBJKRPSIORKH-WAOWUJCRSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)CC[N@@H+]1C ZINC000155766252 455042254 /nfs/dbraw/zinc/04/22/54/455042254.db2.gz OKNBJKRPSIORKH-WAOWUJCRSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)CC[N@H+]1C ZINC000155766252 455042259 /nfs/dbraw/zinc/04/22/59/455042259.db2.gz OKNBJKRPSIORKH-WAOWUJCRSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CCN1C ZINC000155766252 455042262 /nfs/dbraw/zinc/04/22/62/455042262.db2.gz OKNBJKRPSIORKH-WAOWUJCRSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CCN1C ZINC000155766252 455042267 /nfs/dbraw/zinc/04/22/67/455042267.db2.gz OKNBJKRPSIORKH-WAOWUJCRSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[C@H](NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC[NH+]1C ZINC000155766252 455042271 /nfs/dbraw/zinc/04/22/71/455042271.db2.gz OKNBJKRPSIORKH-WAOWUJCRSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[C@H](NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC[NH+]1C ZINC000155766252 455042274 /nfs/dbraw/zinc/04/22/74/455042274.db2.gz OKNBJKRPSIORKH-WAOWUJCRSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[C@H](NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)CC[N@@H+]1C ZINC000155766252 455042277 /nfs/dbraw/zinc/04/22/77/455042277.db2.gz OKNBJKRPSIORKH-WAOWUJCRSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[C@H](NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)CC[N@H+]1C ZINC000155766252 455042280 /nfs/dbraw/zinc/04/22/80/455042280.db2.gz OKNBJKRPSIORKH-WAOWUJCRSA-N 2 1 329.532 3.491 20 0 EGADMP C[N@@H+](CCOCC(F)(F)F)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179394679 455043626 /nfs/dbraw/zinc/04/36/26/455043626.db2.gz KBEQAWSUWVOKFE-UHFFFAOYSA-N 2 1 345.409 3.199 20 0 EGADMP C[C@H](NCC[NH+]1CCC(C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000155991777 455070187 /nfs/dbraw/zinc/07/01/87/455070187.db2.gz MBMCQZDRFAPLEF-SFHVURJKSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccnc(OCc2ccccc2)c1 ZINC000156324375 455105275 /nfs/dbraw/zinc/10/52/75/455105275.db2.gz ZDNWTHYFYFVRHB-HLIPFELVSA-N 2 1 339.483 3.479 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000156324375 455105277 /nfs/dbraw/zinc/10/52/77/455105277.db2.gz ZDNWTHYFYFVRHB-HLIPFELVSA-N 2 1 339.483 3.479 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(OC(F)F)c1 ZINC000623655767 460662710 /nfs/dbraw/zinc/66/27/10/460662710.db2.gz DYIGPWDBDDYRIU-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(OC(F)F)c1 ZINC000623655767 460662719 /nfs/dbraw/zinc/66/27/19/460662719.db2.gz DYIGPWDBDDYRIU-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841202 455114450 /nfs/dbraw/zinc/11/44/50/455114450.db2.gz JSXMXCQYIGBPHT-OAHLLOKOSA-N 2 1 330.394 3.401 20 0 EGADMP C[NH+](Cc1ccc(OCC(F)(F)F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841202 455114452 /nfs/dbraw/zinc/11/44/52/455114452.db2.gz JSXMXCQYIGBPHT-OAHLLOKOSA-N 2 1 330.394 3.401 20 0 EGADMP C[NH+](Cc1ccc(OCC(F)(F)F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841202 455114457 /nfs/dbraw/zinc/11/44/57/455114457.db2.gz JSXMXCQYIGBPHT-OAHLLOKOSA-N 2 1 330.394 3.401 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnn(C(C)C)c2)CC1 ZINC000180039830 455121423 /nfs/dbraw/zinc/12/14/23/455121423.db2.gz KHGCHDOLGXGYHF-UHFFFAOYSA-N 2 1 336.524 3.034 20 0 EGADMP Cc1c([C@@H](C)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cnn1C ZINC000180158190 455141574 /nfs/dbraw/zinc/14/15/74/455141574.db2.gz VBLQCBHXVSXCTI-WUHBCXKYSA-N 2 1 338.499 3.290 20 0 EGADMP CCCC[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156924351 455157492 /nfs/dbraw/zinc/15/74/92/455157492.db2.gz CPTCKJCUPFOURV-APWZRJJASA-N 2 1 331.504 3.052 20 0 EGADMP C[C@@H](CC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)[NH+]1CCCCC1 ZINC000189402994 455190396 /nfs/dbraw/zinc/19/03/96/455190396.db2.gz FUOFWJOHXSMRCN-KRWDZBQOSA-N 2 1 344.478 3.425 20 0 EGADMP C[C@H](C[NH+]1CCCCC1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000237662219 455204498 /nfs/dbraw/zinc/20/44/98/455204498.db2.gz GSGVIOXMDKMFKX-LJQANCHMSA-N 2 1 345.531 3.125 20 0 EGADMP CCCOc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1OC ZINC000245706277 455360224 /nfs/dbraw/zinc/36/02/24/455360224.db2.gz BXWQUDNDILBJLS-ROUUACIJSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1OC ZINC000245706277 455360228 /nfs/dbraw/zinc/36/02/28/455360228.db2.gz BXWQUDNDILBJLS-ROUUACIJSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OC ZINC000245706277 455360231 /nfs/dbraw/zinc/36/02/31/455360231.db2.gz BXWQUDNDILBJLS-ROUUACIJSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OC ZINC000245706277 455360234 /nfs/dbraw/zinc/36/02/34/455360234.db2.gz BXWQUDNDILBJLS-ROUUACIJSA-N 2 1 332.488 3.400 20 0 EGADMP CN(c1ccccc1C[N@@H+](C)Cc1cccnc1)C1CC[NH+](C)CC1 ZINC000182028922 455419948 /nfs/dbraw/zinc/41/99/48/455419948.db2.gz HBZXPNUDQTZTHD-UHFFFAOYSA-N 2 1 338.499 3.244 20 0 EGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000246194281 455445566 /nfs/dbraw/zinc/44/55/66/455445566.db2.gz LWMURBWDFFTNOM-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246347590 455474279 /nfs/dbraw/zinc/47/42/79/455474279.db2.gz HJIZQVCTTVBQMB-UMVBOHGHSA-N 2 1 325.294 3.452 20 0 EGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246347590 455474281 /nfs/dbraw/zinc/47/42/81/455474281.db2.gz HJIZQVCTTVBQMB-UMVBOHGHSA-N 2 1 325.294 3.452 20 0 EGADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CC2 ZINC000182263111 455475473 /nfs/dbraw/zinc/47/54/73/455475473.db2.gz YXCRNNRIECZAAF-UNMCSNQZSA-N 2 1 336.479 3.339 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)[C@@H](C)C1 ZINC000246351842 455475742 /nfs/dbraw/zinc/47/57/42/455475742.db2.gz HUCJLJIOSFUTQB-BBRMVZONSA-N 2 1 348.878 3.252 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](Cc2ccccc2)C2CC2)C[C@H](C)O1 ZINC000247019703 455544884 /nfs/dbraw/zinc/54/48/84/455544884.db2.gz MUCRCGFLBBIZLU-LVCYWYKZSA-N 2 1 330.516 3.487 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC000247085137 455557942 /nfs/dbraw/zinc/55/79/42/455557942.db2.gz WAOBUVXLJVAVKW-NRSPTQNISA-N 2 1 330.516 3.176 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000247085137 455557945 /nfs/dbraw/zinc/55/79/45/455557945.db2.gz WAOBUVXLJVAVKW-NRSPTQNISA-N 2 1 330.516 3.176 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000247085137 455557949 /nfs/dbraw/zinc/55/79/49/455557949.db2.gz WAOBUVXLJVAVKW-NRSPTQNISA-N 2 1 330.516 3.176 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000247217711 455574237 /nfs/dbraw/zinc/57/42/37/455574237.db2.gz XMIXINMWPJWKNA-WOJBJXKFSA-N 2 1 343.515 3.156 20 0 EGADMP CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185710916 455603282 /nfs/dbraw/zinc/60/32/82/455603282.db2.gz UVYCSXSHNMBMRG-OKZBNKHCSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185710916 455603287 /nfs/dbraw/zinc/60/32/87/455603287.db2.gz UVYCSXSHNMBMRG-OKZBNKHCSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@@H]([NH2+]CCC(=O)OCc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185716794 455604595 /nfs/dbraw/zinc/60/45/95/455604595.db2.gz XLDUBQFHESVQAE-MJGOQNOKSA-N 2 1 344.499 3.363 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1F ZINC000185726433 455607985 /nfs/dbraw/zinc/60/79/85/455607985.db2.gz LPHDZLMMBZEBQB-HOCLYGCPSA-N 2 1 348.462 3.355 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1F ZINC000185726433 455607990 /nfs/dbraw/zinc/60/79/90/455607990.db2.gz LPHDZLMMBZEBQB-HOCLYGCPSA-N 2 1 348.462 3.355 20 0 EGADMP CCN(C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000185734910 455610279 /nfs/dbraw/zinc/61/02/79/455610279.db2.gz OOMJTIUDAPRKKW-ROUUACIJSA-N 2 1 343.515 3.282 20 0 EGADMP CCN(C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000185734910 455610285 /nfs/dbraw/zinc/61/02/85/455610285.db2.gz OOMJTIUDAPRKKW-ROUUACIJSA-N 2 1 343.515 3.282 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000277627627 455618080 /nfs/dbraw/zinc/61/80/80/455618080.db2.gz BXEFSZDCASPPDY-AWEZNQCLSA-N 2 1 330.394 3.296 20 0 EGADMP Cc1ccoc1C[N@@H+](C)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000292289414 455620094 /nfs/dbraw/zinc/62/00/94/455620094.db2.gz MBHANEUBMRGJIQ-INIZCTEOSA-N 2 1 327.428 3.047 20 0 EGADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000247557843 455624925 /nfs/dbraw/zinc/62/49/25/455624925.db2.gz UJZIDXJHEQDXRV-LUKYLMHMSA-N 2 1 325.541 3.026 20 0 EGADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1Oc1ccccc1 ZINC000284185254 455647851 /nfs/dbraw/zinc/64/78/51/455647851.db2.gz FYEBMXXXLIQDFH-JQHSSLGASA-N 2 1 325.456 3.281 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](Cn2cccn2)C(C)C)cc1F ZINC000284233936 455656007 /nfs/dbraw/zinc/65/60/07/455656007.db2.gz USYYAFKZPBYKDA-GOSISDBHSA-N 2 1 341.434 3.331 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1cccc(OC)c1 ZINC000247981595 455664309 /nfs/dbraw/zinc/66/43/09/455664309.db2.gz MWRLAULIQMHGBW-XWDORNJCSA-N 2 1 347.547 3.396 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000284307335 455665665 /nfs/dbraw/zinc/66/56/65/455665665.db2.gz ZBYXXRJNPTZIJQ-MRXNPFEDSA-N 2 1 329.492 3.032 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000284312973 455666868 /nfs/dbraw/zinc/66/68/68/455666868.db2.gz VVXMFIJANVVHMT-NRFANRHFSA-N 2 1 343.559 3.238 20 0 EGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000247995891 455667485 /nfs/dbraw/zinc/66/74/85/455667485.db2.gz JVWQFCSNZFMYLJ-LMMKCTJWSA-N 2 1 334.504 3.014 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000271555451 455683435 /nfs/dbraw/zinc/68/34/35/455683435.db2.gz WPVYSOOVAGCJFN-IIAWOOMASA-N 2 1 330.501 3.066 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OCC)C23CCC3)[C@@H](C)C1 ZINC000248136841 455687071 /nfs/dbraw/zinc/68/70/71/455687071.db2.gz PDZYZJORDDQKSD-OKYOBFRVSA-N 2 1 338.536 3.061 20 0 EGADMP CCCCOc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000284555872 455705529 /nfs/dbraw/zinc/70/55/29/455705529.db2.gz YCXFWHHQSZULRR-QGZVFWFLSA-N 2 1 334.504 3.363 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000192847464 455706218 /nfs/dbraw/zinc/70/62/18/455706218.db2.gz PNCFBKGOYOLENT-CABCVRRESA-N 2 1 334.460 3.074 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000192847464 455706222 /nfs/dbraw/zinc/70/62/22/455706222.db2.gz PNCFBKGOYOLENT-CABCVRRESA-N 2 1 334.460 3.074 20 0 EGADMP COc1ccc2cc([C@H](C)[NH2+]CCC[NH+]3CCC(O)CC3)ccc2c1 ZINC000268885620 455718653 /nfs/dbraw/zinc/71/86/53/455718653.db2.gz YYBXPFAEDCPCLF-INIZCTEOSA-N 2 1 342.483 3.346 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268946400 455740260 /nfs/dbraw/zinc/74/02/60/455740260.db2.gz BFISVYRADYYDEF-RUGGUXRKSA-N 2 1 328.500 3.443 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268946400 455740266 /nfs/dbraw/zinc/74/02/66/455740266.db2.gz BFISVYRADYYDEF-RUGGUXRKSA-N 2 1 328.500 3.443 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000268971107 455748839 /nfs/dbraw/zinc/74/88/39/455748839.db2.gz AIZCMVXQSJJKFM-VQTJNVASSA-N 2 1 343.515 3.085 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC([NH+](CCOC)CCOC)CC1 ZINC000285398849 455837050 /nfs/dbraw/zinc/83/70/50/455837050.db2.gz DWZIBANDQAFWAB-FQEVSTJZSA-N 2 1 334.504 3.197 20 0 EGADMP COC(=O)c1cc2cc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)ccc2o1 ZINC000285543808 455866937 /nfs/dbraw/zinc/86/69/37/455866937.db2.gz QEOFZTCLJDZTMZ-SJPCQFCGSA-N 2 1 342.439 3.276 20 0 EGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000272179908 455868302 /nfs/dbraw/zinc/86/83/02/455868302.db2.gz SERLPSBRFCLHAT-MRXNPFEDSA-N 2 1 330.472 3.216 20 0 EGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)C[C@H](C)O1 ZINC000187135562 455872974 /nfs/dbraw/zinc/87/29/74/455872974.db2.gz YNXTZQKZJQVIBN-SCTDSRPQSA-N 2 1 338.536 3.155 20 0 EGADMP C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285608493 455880188 /nfs/dbraw/zinc/88/01/88/455880188.db2.gz VSUANDZPMXMQPW-YIONKMFJSA-N 2 1 336.863 3.168 20 0 EGADMP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285608493 455880192 /nfs/dbraw/zinc/88/01/92/455880192.db2.gz VSUANDZPMXMQPW-YIONKMFJSA-N 2 1 336.863 3.168 20 0 EGADMP C[NH+](Cc1cc(Cl)c2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285608493 455880196 /nfs/dbraw/zinc/88/01/96/455880196.db2.gz VSUANDZPMXMQPW-YIONKMFJSA-N 2 1 336.863 3.168 20 0 EGADMP C[NH+](Cc1cc(Cl)c2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285608493 455880202 /nfs/dbraw/zinc/88/02/02/455880202.db2.gz VSUANDZPMXMQPW-YIONKMFJSA-N 2 1 336.863 3.168 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000261605137 455911496 /nfs/dbraw/zinc/91/14/96/455911496.db2.gz AEFAIUQPSDQPQH-OCCSQVGLSA-N 2 1 328.403 3.103 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)[C@H](C)C1 ZINC000280308922 455943941 /nfs/dbraw/zinc/94/39/41/455943941.db2.gz PKIJOMRDWVWWHW-PBHICJAKSA-N 2 1 344.421 3.490 20 0 EGADMP C[C@@H](C[NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000187863491 455962314 /nfs/dbraw/zinc/96/23/14/455962314.db2.gz MJNKVZGZQRQVDG-INIZCTEOSA-N 2 1 337.939 3.307 20 0 EGADMP Clc1cccc(Cl)c1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261910006 455968948 /nfs/dbraw/zinc/96/89/48/455968948.db2.gz IVBBIKMTOBKBDK-XKQJLSEDSA-N 2 1 343.298 3.283 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272502913 455972938 /nfs/dbraw/zinc/97/29/38/455972938.db2.gz LNFFQACZUNRIMI-HBFSDRIKSA-N 2 1 326.488 3.162 20 0 EGADMP CCn1nc(C)c(CNCc2ccccc2C[N@H+]2CCCC[C@H]2C)n1 ZINC000296574188 455977787 /nfs/dbraw/zinc/97/77/87/455977787.db2.gz WJEKHDIUGAZMET-MRXNPFEDSA-N 2 1 341.503 3.271 20 0 EGADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000286109598 455979135 /nfs/dbraw/zinc/97/91/35/455979135.db2.gz NALQENRULUDYRT-OAQYLSRUSA-N 2 1 337.467 3.226 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000188006937 455979889 /nfs/dbraw/zinc/97/98/89/455979889.db2.gz AKNHZPRLQLIPEZ-SPYBWZPUSA-N 2 1 335.923 3.016 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2(C)CC[NH+](C)CC2)cc1 ZINC000272531945 455985344 /nfs/dbraw/zinc/98/53/44/455985344.db2.gz NFKHCBMIVQVLSW-UHFFFAOYSA-N 2 1 345.531 3.380 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262261767 456018692 /nfs/dbraw/zinc/01/86/92/456018692.db2.gz JMIWCDZNHCEOSY-JKMZYOBQSA-N 2 1 349.563 3.157 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CSCCS1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272668523 456032132 /nfs/dbraw/zinc/03/21/32/456032132.db2.gz OTHWLXJLOXXNHV-CGTJXYLNSA-N 2 1 336.570 3.335 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286379609 456036478 /nfs/dbraw/zinc/03/64/78/456036478.db2.gz ZZAVPKCOSSBWLB-IRXDYDNUSA-N 2 1 327.476 3.038 20 0 EGADMP O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1c(Cl)cccc1Cl ZINC000262498991 456040829 /nfs/dbraw/zinc/04/08/29/456040829.db2.gz LUOSBXYBGFKJAP-BXUZGUMPSA-N 2 1 342.270 3.006 20 0 EGADMP O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1c(Cl)cccc1Cl ZINC000262498991 456040834 /nfs/dbraw/zinc/04/08/34/456040834.db2.gz LUOSBXYBGFKJAP-BXUZGUMPSA-N 2 1 342.270 3.006 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCn2cccn2)CC1 ZINC000281015895 456109637 /nfs/dbraw/zinc/10/96/37/456109637.db2.gz NYCDHPPHRQTUAD-UHFFFAOYSA-N 2 1 326.488 3.306 20 0 EGADMP CC(C)(C)c1nc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cs1 ZINC000333137997 456166251 /nfs/dbraw/zinc/16/62/51/456166251.db2.gz KMMXZZDTAWMQPL-ZBFHGGJFSA-N 2 1 337.533 3.159 20 0 EGADMP CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000236774571 456182907 /nfs/dbraw/zinc/18/29/07/456182907.db2.gz VZVQONMQWSNETM-QFBILLFUSA-N 2 1 331.504 3.195 20 0 EGADMP C[C@@H]1C[C@H](Nc2nc(N(C)C)cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000301778883 456211962 /nfs/dbraw/zinc/21/19/62/456211962.db2.gz RUGKRFFLIALQLA-NVXWUHKLSA-N 2 1 325.460 3.008 20 0 EGADMP C[C@@H]1C[C@H](Nc2nc(N(C)C)cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000301778883 456211967 /nfs/dbraw/zinc/21/19/67/456211967.db2.gz RUGKRFFLIALQLA-NVXWUHKLSA-N 2 1 325.460 3.008 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000237152469 456238870 /nfs/dbraw/zinc/23/88/70/456238870.db2.gz CAUCERVRCDIREP-NRFANRHFSA-N 2 1 343.515 3.067 20 0 EGADMP CC(C)[N@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000263926787 456266343 /nfs/dbraw/zinc/26/63/43/456266343.db2.gz ZEAYIAZDRYOEPV-UHFFFAOYSA-N 2 1 343.515 3.229 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1)C(C)C ZINC000281618051 456276758 /nfs/dbraw/zinc/27/67/58/456276758.db2.gz BVOQPGDTCIBVCX-KRWDZBQOSA-N 2 1 331.504 3.118 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000290265974 456276772 /nfs/dbraw/zinc/27/67/72/456276772.db2.gz XYGXKWLAHOEXMI-AEFFLSMTSA-N 2 1 329.488 3.375 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)NC2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340192081 456304550 /nfs/dbraw/zinc/30/45/50/456304550.db2.gz WXMRTRVLCNSGKR-VQTJNVASSA-N 2 1 343.515 3.251 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CCC(=O)NC2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340192081 456304558 /nfs/dbraw/zinc/30/45/58/456304558.db2.gz WXMRTRVLCNSGKR-VQTJNVASSA-N 2 1 343.515 3.251 20 0 EGADMP c1cn2c(cccc2C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)n1 ZINC000290407552 456319846 /nfs/dbraw/zinc/31/98/46/456319846.db2.gz JWNZCRDSDHNVDP-MRXNPFEDSA-N 2 1 331.423 3.349 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2cc[nH+]cc2C(N)=O)C1 ZINC000302230585 456325067 /nfs/dbraw/zinc/32/50/67/456325067.db2.gz RTOVHWAIWFLCDS-OAHLLOKOSA-N 2 1 338.455 3.025 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C[C@@H]4CCCOC4)C3)C2)cc1 ZINC000342938284 456325482 /nfs/dbraw/zinc/32/54/82/456325482.db2.gz XCDNYUHGZVBSKV-LEWJYISDSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C[C@@H]4CCCOC4)C3)C2)cc1 ZINC000342938284 456325488 /nfs/dbraw/zinc/32/54/88/456325488.db2.gz XCDNYUHGZVBSKV-LEWJYISDSA-N 2 1 328.500 3.401 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000297946288 456331298 /nfs/dbraw/zinc/33/12/98/456331298.db2.gz VLXCHNMYGLPVNT-RBUKOAKNSA-N 2 1 345.531 3.075 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000297946288 456331304 /nfs/dbraw/zinc/33/13/04/456331304.db2.gz VLXCHNMYGLPVNT-RBUKOAKNSA-N 2 1 345.531 3.075 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000297946288 456331306 /nfs/dbraw/zinc/33/13/06/456331306.db2.gz VLXCHNMYGLPVNT-RBUKOAKNSA-N 2 1 345.531 3.075 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000297946288 456331309 /nfs/dbraw/zinc/33/13/09/456331309.db2.gz VLXCHNMYGLPVNT-RBUKOAKNSA-N 2 1 345.531 3.075 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnn(Cc4ccccc4)c3)C2)CC1 ZINC000290450356 456331821 /nfs/dbraw/zinc/33/18/21/456331821.db2.gz MILZNRILRPYRRM-OAQYLSRUSA-N 2 1 338.499 3.095 20 0 EGADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000290456261 456332599 /nfs/dbraw/zinc/33/25/99/456332599.db2.gz MRLDFUADZPAYJK-UKRRQHHQSA-N 2 1 328.378 3.343 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000290456261 456332606 /nfs/dbraw/zinc/33/26/06/456332606.db2.gz MRLDFUADZPAYJK-UKRRQHHQSA-N 2 1 328.378 3.343 20 0 EGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000290456261 456332611 /nfs/dbraw/zinc/33/26/11/456332611.db2.gz MRLDFUADZPAYJK-UKRRQHHQSA-N 2 1 328.378 3.343 20 0 EGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000290456261 456332617 /nfs/dbraw/zinc/33/26/17/456332617.db2.gz MRLDFUADZPAYJK-UKRRQHHQSA-N 2 1 328.378 3.343 20 0 EGADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000352820816 456336450 /nfs/dbraw/zinc/33/64/50/456336450.db2.gz ZPYPTSXODPTASY-CJNGLKHVSA-N 2 1 331.287 3.491 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000352820816 456336453 /nfs/dbraw/zinc/33/64/53/456336453.db2.gz ZPYPTSXODPTASY-CJNGLKHVSA-N 2 1 331.287 3.491 20 0 EGADMP Cc1nccn1CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000297996064 456339667 /nfs/dbraw/zinc/33/96/67/456339667.db2.gz ZFLHXURXWMPOGB-HNNXBMFYSA-N 2 1 326.444 3.205 20 0 EGADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000297996064 456339670 /nfs/dbraw/zinc/33/96/70/456339670.db2.gz ZFLHXURXWMPOGB-HNNXBMFYSA-N 2 1 326.444 3.205 20 0 EGADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000297996064 456339678 /nfs/dbraw/zinc/33/96/78/456339678.db2.gz ZFLHXURXWMPOGB-HNNXBMFYSA-N 2 1 326.444 3.205 20 0 EGADMP C[N@H+](CCN1CC[NH+](Cc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000343048284 456371674 /nfs/dbraw/zinc/37/16/74/456371674.db2.gz ANIUYEYYZDASFO-UHFFFAOYSA-N 2 1 341.474 3.075 20 0 EGADMP C[N@@H+](CCN1CC[NH+](Cc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000343048284 456371682 /nfs/dbraw/zinc/37/16/82/456371682.db2.gz ANIUYEYYZDASFO-UHFFFAOYSA-N 2 1 341.474 3.075 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)c1ccsc1 ZINC000635279680 460732027 /nfs/dbraw/zinc/73/20/27/460732027.db2.gz QGKBZRVUZVFPRH-INIZCTEOSA-N 2 1 348.516 3.267 20 0 EGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000348049834 456446186 /nfs/dbraw/zinc/44/61/86/456446186.db2.gz JUBADKWNIQZDGE-NRFANRHFSA-N 2 1 326.484 3.159 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000348049834 456446193 /nfs/dbraw/zinc/44/61/93/456446193.db2.gz JUBADKWNIQZDGE-NRFANRHFSA-N 2 1 326.484 3.159 20 0 EGADMP c1ccc(OCc2ccncc2)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000340415263 456447336 /nfs/dbraw/zinc/44/73/36/456447336.db2.gz JFXYEWRKJKIJAO-PMACEKPBSA-N 2 1 337.467 3.377 20 0 EGADMP c1ccc(OCc2ccncc2)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000340415263 456447342 /nfs/dbraw/zinc/44/73/42/456447342.db2.gz JFXYEWRKJKIJAO-PMACEKPBSA-N 2 1 337.467 3.377 20 0 EGADMP CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000340419667 456450310 /nfs/dbraw/zinc/45/03/10/456450310.db2.gz YVFCCRXZRVPIIM-HZPDHXFCSA-N 2 1 342.487 3.384 20 0 EGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(C(F)(F)F)cc1 ZINC000282238000 456451784 /nfs/dbraw/zinc/45/17/84/456451784.db2.gz IYIJAEKNEWYLHA-AWEZNQCLSA-N 2 1 343.437 3.382 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]Cc2cc(Cl)ccc2Cl)CC1(C)C ZINC000282266336 456460746 /nfs/dbraw/zinc/46/07/46/456460746.db2.gz HJEOKNBAJXEORG-UHFFFAOYSA-N 2 1 330.303 3.109 20 0 EGADMP Brc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000298580470 456494734 /nfs/dbraw/zinc/49/47/34/456494734.db2.gz XTFZXODUCUSRCH-UHFFFAOYSA-N 2 1 329.307 3.270 20 0 EGADMP CC[C@@H](C)[C@](C)(O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000305158644 456533194 /nfs/dbraw/zinc/53/31/94/456533194.db2.gz WLEOHWXNVYLZAO-OXQOHEQNSA-N 2 1 336.495 3.219 20 0 EGADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000310139111 456580440 /nfs/dbraw/zinc/58/04/40/456580440.db2.gz MRIGONYSZPOZEI-VIYGXFRKSA-N 2 1 328.500 3.444 20 0 EGADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cn(C(C)(C)C)nn2)cc1 ZINC000276869236 456605780 /nfs/dbraw/zinc/60/57/80/456605780.db2.gz AVSLAODUTMRNTD-UHFFFAOYSA-N 2 1 329.492 3.165 20 0 EGADMP COCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)c1ccccc1 ZINC000282835407 456640803 /nfs/dbraw/zinc/64/08/03/456640803.db2.gz ZPDUYVNVROSHQG-HXUWFJFHSA-N 2 1 347.547 3.112 20 0 EGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000343468604 456642682 /nfs/dbraw/zinc/64/26/82/456642682.db2.gz LUGCRXZQHPIJKR-HSALFYBXSA-N 2 1 345.531 3.243 20 0 EGADMP CCCC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000343471126 456643996 /nfs/dbraw/zinc/64/39/96/456643996.db2.gz DQHJYAQEWPDUQM-ZWKOTPCHSA-N 2 1 345.531 3.379 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000338106969 456663390 /nfs/dbraw/zinc/66/33/90/456663390.db2.gz ZFUPCMPANSJLLF-QUCCMNQESA-N 2 1 341.499 3.028 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000338106969 456663393 /nfs/dbraw/zinc/66/33/93/456663393.db2.gz ZFUPCMPANSJLLF-QUCCMNQESA-N 2 1 341.499 3.028 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000338106969 456663398 /nfs/dbraw/zinc/66/33/98/456663398.db2.gz ZFUPCMPANSJLLF-QUCCMNQESA-N 2 1 341.499 3.028 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000282978715 456680499 /nfs/dbraw/zinc/68/04/99/456680499.db2.gz DPLHNKAOTRSVAO-UXHICEINSA-N 2 1 342.483 3.385 20 0 EGADMP C[N@H+](Cc1cc(Cl)c2c(c1)OCCCO2)CC1CC[NH+](C)CC1 ZINC000353414313 456686260 /nfs/dbraw/zinc/68/62/60/456686260.db2.gz ADCVQCIFASMPMI-UHFFFAOYSA-N 2 1 338.879 3.275 20 0 EGADMP C[C@@H](C[NH2+][C@@H](Cc1ccccn1)c1cccnc1)C[NH+]1CCCCC1 ZINC000338220491 456714334 /nfs/dbraw/zinc/71/43/34/456714334.db2.gz YCKLYDZLSZDECT-RXVVDRJESA-N 2 1 338.499 3.472 20 0 EGADMP COCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC000291712490 456729801 /nfs/dbraw/zinc/72/98/01/456729801.db2.gz LORPUGRNZDSPEY-ICSRJNTNSA-N 2 1 346.515 3.072 20 0 EGADMP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC000291712490 456729805 /nfs/dbraw/zinc/72/98/05/456729805.db2.gz LORPUGRNZDSPEY-ICSRJNTNSA-N 2 1 346.515 3.072 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2Cc3ccccc3C(C)(C)C2)CC1 ZINC000283373865 456767116 /nfs/dbraw/zinc/76/71/16/456767116.db2.gz SLMJVOUYOGTBDT-UHFFFAOYSA-N 2 1 329.532 3.196 20 0 EGADMP C[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)CCN1C1CC[NH+](C)CC1 ZINC000343723149 456769472 /nfs/dbraw/zinc/76/94/72/456769472.db2.gz MYTPRMHOTCTETO-UTKZUKDTSA-N 2 1 327.516 3.164 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000277313285 456773547 /nfs/dbraw/zinc/77/35/47/456773547.db2.gz USKYLZYDITUHCU-IRXDYDNUSA-N 2 1 344.421 3.025 20 0 EGADMP Cc1cccc(N2CC[NH+](CCCNc3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000301083737 456793368 /nfs/dbraw/zinc/79/33/68/456793368.db2.gz JZHMGCHLSLECAS-UHFFFAOYSA-N 2 1 339.487 3.026 20 0 EGADMP CC[N@H+]1C[C@H](NCc2cccc(C[NH+]3CCC(C)CC3)c2)[C@@H](C)C1 ZINC000344186907 456803818 /nfs/dbraw/zinc/80/38/18/456803818.db2.gz FXZMVWHZXQHYOL-RXVVDRJESA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@@H+]1C[C@H](NCc2cccc(C[NH+]3CCC(C)CC3)c2)[C@@H](C)C1 ZINC000344186907 456803821 /nfs/dbraw/zinc/80/38/21/456803821.db2.gz FXZMVWHZXQHYOL-RXVVDRJESA-N 2 1 329.532 3.348 20 0 EGADMP Cc1cnc(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)nc1 ZINC000353616946 456806504 /nfs/dbraw/zinc/80/65/04/456806504.db2.gz CDPSHKPFZOLPSL-UHFFFAOYSA-N 2 1 338.499 3.360 20 0 EGADMP Cc1n[nH]cc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000353616520 456806740 /nfs/dbraw/zinc/80/67/40/456806740.db2.gz AVSSHVYQKVNQPK-HMXCVIKNSA-N 2 1 338.499 3.499 20 0 EGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OCc4ccncc4)cc3)C2)C1 ZINC000292062476 456844262 /nfs/dbraw/zinc/84/42/62/456844262.db2.gz CRTKQNGZHPISGP-OAQYLSRUSA-N 2 1 337.467 3.188 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OCc4ccncc4)cc3)C2)C1 ZINC000292062476 456844266 /nfs/dbraw/zinc/84/42/66/456844266.db2.gz CRTKQNGZHPISGP-OAQYLSRUSA-N 2 1 337.467 3.188 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(OCc4ccncc4)cc3)C2)C1 ZINC000292062476 456844270 /nfs/dbraw/zinc/84/42/70/456844270.db2.gz CRTKQNGZHPISGP-OAQYLSRUSA-N 2 1 337.467 3.188 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(OCc4ccncc4)cc3)C2)C1 ZINC000292062476 456844273 /nfs/dbraw/zinc/84/42/73/456844273.db2.gz CRTKQNGZHPISGP-OAQYLSRUSA-N 2 1 337.467 3.188 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000338686111 456851482 /nfs/dbraw/zinc/85/14/82/456851482.db2.gz DGPPTMZOSYJNID-FEHORTKBSA-N 2 1 342.483 3.385 20 0 EGADMP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353681944 456852013 /nfs/dbraw/zinc/85/20/13/456852013.db2.gz NANCEESASCYAAJ-FNOBOGDDSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000353681944 456852015 /nfs/dbraw/zinc/85/20/15/456852015.db2.gz NANCEESASCYAAJ-FNOBOGDDSA-N 2 1 329.532 3.359 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1c(C)nc2sc(C)nn12 ZINC000344806927 456862254 /nfs/dbraw/zinc/86/22/54/456862254.db2.gz GIAPYQDXYKCACS-CVEARBPZSA-N 2 1 349.548 3.398 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+](C)CC[C@@H]3CCCC[NH+]3C)s2)cn1 ZINC000338949660 456871225 /nfs/dbraw/zinc/87/12/25/456871225.db2.gz XQAANEDSJZJQGH-INIZCTEOSA-N 2 1 332.517 3.455 20 0 EGADMP Cn1cc(-c2ccc(C[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)s2)cn1 ZINC000338949660 456871227 /nfs/dbraw/zinc/87/12/27/456871227.db2.gz XQAANEDSJZJQGH-INIZCTEOSA-N 2 1 332.517 3.455 20 0 EGADMP Cn1cc(-c2ccc(C[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)s2)cn1 ZINC000338949660 456871231 /nfs/dbraw/zinc/87/12/31/456871231.db2.gz XQAANEDSJZJQGH-INIZCTEOSA-N 2 1 332.517 3.455 20 0 EGADMP Cn1cc(-c2ccc(C[NH+](C)CC[C@@H]3CCCC[N@H+]3C)s2)cn1 ZINC000338949660 456871234 /nfs/dbraw/zinc/87/12/34/456871234.db2.gz XQAANEDSJZJQGH-INIZCTEOSA-N 2 1 332.517 3.455 20 0 EGADMP COc1cc(C)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000349187495 456906294 /nfs/dbraw/zinc/90/62/94/456906294.db2.gz KCNWXVUJNVXQFD-KRWDZBQOSA-N 2 1 332.488 3.176 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000349328730 456944265 /nfs/dbraw/zinc/94/42/65/456944265.db2.gz HETNTPZVEMILDJ-AWEZNQCLSA-N 2 1 329.488 3.485 20 0 EGADMP Cc1nn2c(C[N@H+](C)CCCn3cc[nH+]c3C)c(C(C)C)nc2s1 ZINC000349410467 456964206 /nfs/dbraw/zinc/96/42/06/456964206.db2.gz UQNOBDQVNWVFPY-UHFFFAOYSA-N 2 1 346.504 3.250 20 0 EGADMP Cc1nn2c(C[N@@H+](C)CCCn3cc[nH+]c3C)c(C(C)C)nc2s1 ZINC000349410467 456964211 /nfs/dbraw/zinc/96/42/11/456964211.db2.gz UQNOBDQVNWVFPY-UHFFFAOYSA-N 2 1 346.504 3.250 20 0 EGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000349416165 456966106 /nfs/dbraw/zinc/96/61/06/456966106.db2.gz KACMTIGZZCDBNB-UHFFFAOYSA-N 2 1 342.487 3.393 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000349416165 456966107 /nfs/dbraw/zinc/96/61/07/456966107.db2.gz KACMTIGZZCDBNB-UHFFFAOYSA-N 2 1 342.487 3.393 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)CC(C)C ZINC000345679577 456987747 /nfs/dbraw/zinc/98/77/47/456987747.db2.gz CUMYWDZMICVKQY-VQTJNVASSA-N 2 1 345.531 3.134 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)CC(C)C ZINC000345679577 456987751 /nfs/dbraw/zinc/98/77/51/456987751.db2.gz CUMYWDZMICVKQY-VQTJNVASSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CC3CCCCC3)CC2)C[C@@H](C)O1 ZINC000358852792 457005840 /nfs/dbraw/zinc/00/58/40/457005840.db2.gz FTLMWDRQZNAQSF-QZTJIDSGSA-N 2 1 338.536 3.157 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000354016728 457010416 /nfs/dbraw/zinc/01/04/16/457010416.db2.gz CCLRZCWAWPTIRP-BEFAXECRSA-N 2 1 345.462 3.030 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000354016728 457010424 /nfs/dbraw/zinc/01/04/24/457010424.db2.gz CCLRZCWAWPTIRP-BEFAXECRSA-N 2 1 345.462 3.030 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000346498862 457046730 /nfs/dbraw/zinc/04/67/30/457046730.db2.gz KRPGBSDHMIIIPP-SUMWQHHRSA-N 2 1 345.830 3.215 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000346498862 457046735 /nfs/dbraw/zinc/04/67/35/457046735.db2.gz KRPGBSDHMIIIPP-SUMWQHHRSA-N 2 1 345.830 3.215 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000354085132 457051505 /nfs/dbraw/zinc/05/15/05/457051505.db2.gz UNEZKPOXGZDFIC-MRXNPFEDSA-N 2 1 342.430 3.221 20 0 EGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000359206371 457064014 /nfs/dbraw/zinc/06/40/14/457064014.db2.gz HOPCPLJVNACOPX-IAGOWNOFSA-N 2 1 343.298 3.273 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000342085339 457100153 /nfs/dbraw/zinc/10/01/53/457100153.db2.gz MSBOEWBUSOITRG-UHOFOFEASA-N 2 1 328.378 3.143 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342128103 457124606 /nfs/dbraw/zinc/12/46/06/457124606.db2.gz FZMITGQUNOTHMI-CGTJXYLNSA-N 2 1 329.488 3.116 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342128103 457124613 /nfs/dbraw/zinc/12/46/13/457124613.db2.gz FZMITGQUNOTHMI-CGTJXYLNSA-N 2 1 329.488 3.116 20 0 EGADMP Cc1cc(-c2noc([C@H](C)[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)n2)ccc1F ZINC000342133173 457127380 /nfs/dbraw/zinc/12/73/80/457127380.db2.gz JTQTXKHHNJUPOI-NZUILWFCSA-N 2 1 344.434 3.304 20 0 EGADMP Cc1cc(-c2noc([C@H](C)[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)n2)ccc1F ZINC000342133173 457127384 /nfs/dbraw/zinc/12/73/84/457127384.db2.gz JTQTXKHHNJUPOI-NZUILWFCSA-N 2 1 344.434 3.304 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C/C=C/c1ccc(F)cc1F ZINC000349974677 457129184 /nfs/dbraw/zinc/12/91/84/457129184.db2.gz MWLRFIQXYMHXQW-YOOHZWDDSA-N 2 1 336.426 3.162 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C/C=C/c1ccc(F)cc1F ZINC000349974677 457129188 /nfs/dbraw/zinc/12/91/88/457129188.db2.gz MWLRFIQXYMHXQW-YOOHZWDDSA-N 2 1 336.426 3.162 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(OCc4ccccn4)c3)C[C@H]21 ZINC000346841850 457181689 /nfs/dbraw/zinc/18/16/89/457181689.db2.gz HMRMZQOLPAKTDN-DUXKGJEZSA-N 2 1 337.467 3.220 20 0 EGADMP CC[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000354416984 457209369 /nfs/dbraw/zinc/20/93/69/457209369.db2.gz FGMQLSDTZFJYCD-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP CC[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000354416984 457209374 /nfs/dbraw/zinc/20/93/74/457209374.db2.gz FGMQLSDTZFJYCD-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000360030983 457214049 /nfs/dbraw/zinc/21/40/49/457214049.db2.gz YKDCKGKHMLJJMO-NUEKZKHPSA-N 2 1 327.472 3.194 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000354444846 457225915 /nfs/dbraw/zinc/22/59/15/457225915.db2.gz YJTBHHCAFNWWDM-ZIFCJYIRSA-N 2 1 343.515 3.059 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C1 ZINC000347172065 457269861 /nfs/dbraw/zinc/26/98/61/457269861.db2.gz OCMUKTWTDFVFOH-HXUWFJFHSA-N 2 1 340.515 3.288 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C1 ZINC000347172065 457269869 /nfs/dbraw/zinc/26/98/69/457269869.db2.gz OCMUKTWTDFVFOH-HXUWFJFHSA-N 2 1 340.515 3.288 20 0 EGADMP C[C@@H]1CCCN(C(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000357021730 457283351 /nfs/dbraw/zinc/28/33/51/457283351.db2.gz ZGIPXDPZQPNBOH-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP c1sc(-c2ccccn2)nc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357043594 457294282 /nfs/dbraw/zinc/29/42/82/457294282.db2.gz GRBQASCBDQEXQT-HNNXBMFYSA-N 2 1 328.485 3.027 20 0 EGADMP COc1cc(C)nc(CN2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000339832480 457298307 /nfs/dbraw/zinc/29/83/07/457298307.db2.gz BUBWZPBDSFMBQU-UHFFFAOYSA-N 2 1 325.456 3.107 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000355409432 457371634 /nfs/dbraw/zinc/37/16/34/457371634.db2.gz IIJGCPUEKBQJAT-HDICACEKSA-N 2 1 343.515 3.162 20 0 EGADMP Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000357238029 457392706 /nfs/dbraw/zinc/39/27/06/457392706.db2.gz PCENHVGGAITXQL-CQSZACIVSA-N 2 1 341.484 3.326 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000363656425 457399896 /nfs/dbraw/zinc/39/98/96/457399896.db2.gz LUBZUBXCUZTSMF-UXHICEINSA-N 2 1 329.532 3.361 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363656425 457399902 /nfs/dbraw/zinc/39/99/02/457399902.db2.gz LUBZUBXCUZTSMF-UXHICEINSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363656425 457399908 /nfs/dbraw/zinc/39/99/08/457399908.db2.gz LUBZUBXCUZTSMF-UXHICEINSA-N 3 1 329.532 3.361 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000363656425 457399913 /nfs/dbraw/zinc/39/99/13/457399913.db2.gz LUBZUBXCUZTSMF-UXHICEINSA-N 3 1 329.532 3.361 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000363656425 457399916 /nfs/dbraw/zinc/39/99/16/457399916.db2.gz LUBZUBXCUZTSMF-UXHICEINSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363656425 457399923 /nfs/dbraw/zinc/39/99/23/457399923.db2.gz LUBZUBXCUZTSMF-UXHICEINSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363656425 457399927 /nfs/dbraw/zinc/39/99/27/457399927.db2.gz LUBZUBXCUZTSMF-UXHICEINSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1ccc2ccccc2c1 ZINC000352507902 457426838 /nfs/dbraw/zinc/42/68/38/457426838.db2.gz DVYDNJUWYKPVNU-OXQOHEQNSA-N 2 1 339.483 3.220 20 0 EGADMP C[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccc2ccccc2c1 ZINC000352507902 457426842 /nfs/dbraw/zinc/42/68/42/457426842.db2.gz DVYDNJUWYKPVNU-OXQOHEQNSA-N 2 1 339.483 3.220 20 0 EGADMP c1cc(COc2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)ccn1 ZINC000352535045 457446194 /nfs/dbraw/zinc/44/61/94/457446194.db2.gz LSECHDDZPDQNIO-NRFANRHFSA-N 2 1 337.467 3.236 20 0 EGADMP c1cc(COc2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)ccn1 ZINC000352535045 457446197 /nfs/dbraw/zinc/44/61/97/457446197.db2.gz LSECHDDZPDQNIO-NRFANRHFSA-N 2 1 337.467 3.236 20 0 EGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1OC(F)F ZINC000397296688 457485894 /nfs/dbraw/zinc/48/58/94/457485894.db2.gz BRRFORVBZSSPMQ-OBJOEFQTSA-N 2 1 328.403 3.102 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCCCCNC(=O)OCc2ccccc2)CC[N@H+]1C ZINC000397918076 457491032 /nfs/dbraw/zinc/49/10/32/457491032.db2.gz JJNSHYOGJWQSGY-PKOBYXMFSA-N 2 1 347.503 3.155 20 0 EGADMP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000425354915 457515685 /nfs/dbraw/zinc/51/56/85/457515685.db2.gz OEXAICGNTQPYST-WTLGNFPFSA-N 2 1 334.529 3.279 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H](C(=O)OC)c2ccccc2)C[C@@H]1C ZINC000425412799 457540722 /nfs/dbraw/zinc/54/07/22/457540722.db2.gz CDUQVKDGOXJIRY-YTQUADARSA-N 2 1 332.488 3.138 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H](C(=O)OC)c2ccccc2)C[C@@H]1C ZINC000425412799 457540726 /nfs/dbraw/zinc/54/07/26/457540726.db2.gz CDUQVKDGOXJIRY-YTQUADARSA-N 2 1 332.488 3.138 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H](C(=O)OC)c2ccccc2)C[C@@H]1C ZINC000425412799 457540729 /nfs/dbraw/zinc/54/07/29/457540729.db2.gz CDUQVKDGOXJIRY-YTQUADARSA-N 2 1 332.488 3.138 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347638060 457566934 /nfs/dbraw/zinc/56/69/34/457566934.db2.gz MLCRUDVESJFUDQ-BZUAXINKSA-N 2 1 336.549 3.042 20 0 EGADMP COc1ccc(CC(C)(C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352736142 457568492 /nfs/dbraw/zinc/56/84/92/457568492.db2.gz FOOORNWNCKZAOX-UHFFFAOYSA-N 2 1 333.501 3.324 20 0 EGADMP Cc1cc(NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)nc(C)[nH+]1 ZINC000352745814 457577662 /nfs/dbraw/zinc/57/76/62/457577662.db2.gz MKKXIGVBYONYKS-INIZCTEOSA-N 2 1 330.501 3.462 20 0 EGADMP CC[N@H+](CCc1ccc(C(F)(F)F)cc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000425544231 457592536 /nfs/dbraw/zinc/59/25/36/457592536.db2.gz DJBBRQPEEZQVLA-KRWDZBQOSA-N 2 1 344.421 3.025 20 0 EGADMP CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000425544231 457592540 /nfs/dbraw/zinc/59/25/40/457592540.db2.gz DJBBRQPEEZQVLA-KRWDZBQOSA-N 2 1 344.421 3.025 20 0 EGADMP CC[NH+](CCc1ccc(C(F)(F)F)cc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000425544231 457592548 /nfs/dbraw/zinc/59/25/48/457592548.db2.gz DJBBRQPEEZQVLA-KRWDZBQOSA-N 2 1 344.421 3.025 20 0 EGADMP CC[NH+](CCc1ccc(C(F)(F)F)cc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000425544231 457592551 /nfs/dbraw/zinc/59/25/51/457592551.db2.gz DJBBRQPEEZQVLA-KRWDZBQOSA-N 2 1 344.421 3.025 20 0 EGADMP CCSc1ccccc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361182756 457634309 /nfs/dbraw/zinc/63/43/09/457634309.db2.gz IDXIGJFKEQPUOB-JKSUJKDBSA-N 2 1 349.544 3.037 20 0 EGADMP CCSc1ccccc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361182756 457634310 /nfs/dbraw/zinc/63/43/10/457634310.db2.gz IDXIGJFKEQPUOB-JKSUJKDBSA-N 2 1 349.544 3.037 20 0 EGADMP C[C@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000357741742 457674441 /nfs/dbraw/zinc/67/44/41/457674441.db2.gz MPFCSZKFDGSRFH-MSOLQXFVSA-N 2 1 347.503 3.187 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000357786584 457689297 /nfs/dbraw/zinc/68/92/97/457689297.db2.gz FYAKNWGOQIXSMD-UWJYYQICSA-N 2 1 343.515 3.067 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000357842530 457708843 /nfs/dbraw/zinc/70/88/43/457708843.db2.gz BLOXMPUNVQNHGI-NFAWXSAZSA-N 2 1 345.409 3.188 20 0 EGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CC3CCC(C(F)(F)F)CC3)CC2)C1 ZINC000365047692 457725519 /nfs/dbraw/zinc/72/55/19/457725519.db2.gz XURNUMWUJMVECY-OFLPRAFFSA-N 2 1 347.469 3.067 20 0 EGADMP CCC[C@@H](C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000374990938 457746670 /nfs/dbraw/zinc/74/66/70/457746670.db2.gz OVMLMKUCAHOTSY-SFTDATJTSA-N 2 1 329.532 3.282 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@H](c4ncc[nH]4)C3)s2)cn1 ZINC000375023692 457761119 /nfs/dbraw/zinc/76/11/19/457761119.db2.gz NEIFFKBTIGVHNP-ZDUSSCGKSA-N 2 1 327.457 3.251 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CC=C(C)CC2)cc1)C1CC1 ZINC000358074536 457767765 /nfs/dbraw/zinc/76/77/65/457767765.db2.gz DZGAMUXHWUEBIO-UHFFFAOYSA-N 2 1 341.499 3.053 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+]2CC=C(C)CC2)cc1)C1CC1 ZINC000358074536 457767770 /nfs/dbraw/zinc/76/77/70/457767770.db2.gz DZGAMUXHWUEBIO-UHFFFAOYSA-N 2 1 341.499 3.053 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+]2CC=C(C)CC2)cc1)C1CC1 ZINC000358074536 457767776 /nfs/dbraw/zinc/76/77/76/457767776.db2.gz DZGAMUXHWUEBIO-UHFFFAOYSA-N 2 1 341.499 3.053 20 0 EGADMP c1ncn([C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000411250588 457841765 /nfs/dbraw/zinc/84/17/65/457841765.db2.gz ZTQMGHZUAJCPND-FQEVSTJZSA-N 2 1 339.487 3.101 20 0 EGADMP COCCOC[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411291902 457850907 /nfs/dbraw/zinc/85/09/07/457850907.db2.gz JQTSUKBSYRCHPQ-NRFANRHFSA-N 2 1 346.515 3.157 20 0 EGADMP O[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411303697 457855177 /nfs/dbraw/zinc/85/51/77/457855177.db2.gz AXVRDBORUOQDIG-QGZVFWFLSA-N 2 1 342.405 3.172 20 0 EGADMP C[N@H+](CCc1cncs1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000411427374 457884385 /nfs/dbraw/zinc/88/43/85/457884385.db2.gz IJLWRECXGIRJFW-UHFFFAOYSA-N 2 1 330.501 3.319 20 0 EGADMP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358254451 457890974 /nfs/dbraw/zinc/89/09/74/457890974.db2.gz PQLNSKFCPWVFNU-NQIIRXRSSA-N 2 1 346.515 3.162 20 0 EGADMP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000358254451 457890979 /nfs/dbraw/zinc/89/09/79/457890979.db2.gz PQLNSKFCPWVFNU-NQIIRXRSSA-N 2 1 346.515 3.162 20 0 EGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](CCCc2ccccc2)c2ccccc2)C1 ZINC000358263636 457897989 /nfs/dbraw/zinc/89/79/89/457897989.db2.gz XYGQRLIHXPONLA-YADHBBJMSA-N 2 1 338.495 3.407 20 0 EGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](CCCc2ccccc2)c2ccccc2)C1 ZINC000358263636 457897996 /nfs/dbraw/zinc/89/79/96/457897996.db2.gz XYGQRLIHXPONLA-YADHBBJMSA-N 2 1 338.495 3.407 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000361876268 457923187 /nfs/dbraw/zinc/92/31/87/457923187.db2.gz DOZLFCDTWAKLOF-FGZHOGPDSA-N 2 1 336.479 3.209 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000361876268 457923194 /nfs/dbraw/zinc/92/31/94/457923194.db2.gz DOZLFCDTWAKLOF-FGZHOGPDSA-N 2 1 336.479 3.209 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1C ZINC000411620665 457929527 /nfs/dbraw/zinc/92/95/27/457929527.db2.gz QGGRHRKEXJCFEY-VQIMIIECSA-N 2 1 330.472 3.056 20 0 EGADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000361888506 457932075 /nfs/dbraw/zinc/93/20/75/457932075.db2.gz JXTQPMQUOUQSIR-IEBWSBKVSA-N 2 1 330.497 3.426 20 0 EGADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000361888506 457932079 /nfs/dbraw/zinc/93/20/79/457932079.db2.gz JXTQPMQUOUQSIR-IEBWSBKVSA-N 2 1 330.497 3.426 20 0 EGADMP C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411634155 457934454 /nfs/dbraw/zinc/93/44/54/457934454.db2.gz KPGFFXWAYMEAML-SBUREZEXSA-N 2 1 334.529 3.015 20 0 EGADMP C[C@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411634155 457934460 /nfs/dbraw/zinc/93/44/60/457934460.db2.gz KPGFFXWAYMEAML-SBUREZEXSA-N 2 1 334.529 3.015 20 0 EGADMP Cc1ccc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000361891790 457935133 /nfs/dbraw/zinc/93/51/33/457935133.db2.gz YNGFMNDUXQFKQD-WDSOQIARSA-N 2 1 328.456 3.122 20 0 EGADMP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC1)CC(C)C ZINC000427068584 457940350 /nfs/dbraw/zinc/94/03/50/457940350.db2.gz BAHYQLBNLWSJAH-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1)CC(C)C ZINC000427068584 457940353 /nfs/dbraw/zinc/94/03/53/457940353.db2.gz BAHYQLBNLWSJAH-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1)CC(C)C ZINC000427068584 457940357 /nfs/dbraw/zinc/94/03/57/457940357.db2.gz BAHYQLBNLWSJAH-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000358334602 457940650 /nfs/dbraw/zinc/94/06/50/457940650.db2.gz ZEZJZLZGKAGCNB-XJKSGUPXSA-N 2 1 330.394 3.195 20 0 EGADMP C[C@H]1OCC[C@]12C[N@H+](Cc1cccc(C[NH+]3CCCCC3)c1)CCO2 ZINC000411656485 457940649 /nfs/dbraw/zinc/94/06/49/457940649.db2.gz BLBVGIKPZJKKMR-NQIIRXRSSA-N 2 1 344.499 3.052 20 0 EGADMP C[C@H]1OCC[C@]12C[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)CCO2 ZINC000411656485 457940657 /nfs/dbraw/zinc/94/06/57/457940657.db2.gz BLBVGIKPZJKKMR-NQIIRXRSSA-N 2 1 344.499 3.052 20 0 EGADMP Cc1sc2[nH]c([C@H](C)[N@@H+]3CCC4(C3)CC[NH2+]CC4)nc(=O)c2c1C ZINC000358520517 458053083 /nfs/dbraw/zinc/05/30/83/458053083.db2.gz VRUVOSQZEITEGU-LBPRGKRZSA-N 2 1 346.500 3.150 20 0 EGADMP Cc1sc2[nH]c([C@H](C)[N@H+]3CCC4(C3)CC[NH2+]CC4)nc(=O)c2c1C ZINC000358520517 458053092 /nfs/dbraw/zinc/05/30/92/458053092.db2.gz VRUVOSQZEITEGU-LBPRGKRZSA-N 2 1 346.500 3.150 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)CCC2)c1 ZINC000428038992 458070888 /nfs/dbraw/zinc/07/08/88/458070888.db2.gz BFWWJMMDGMRBQB-ICSRJNTNSA-N 2 1 344.499 3.066 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)CCC2)c1 ZINC000428038993 458071253 /nfs/dbraw/zinc/07/12/53/458071253.db2.gz BFWWJMMDGMRBQB-QUCCMNQESA-N 2 1 344.499 3.066 20 0 EGADMP CSC[C@@H](CCO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000375837068 458087613 /nfs/dbraw/zinc/08/76/13/458087613.db2.gz FXGASGNMVJIBOD-JLAWEPINSA-N 2 1 336.545 3.133 20 0 EGADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412127664 458101032 /nfs/dbraw/zinc/10/10/32/458101032.db2.gz QQYPYJVTHHPBCV-FQEVSTJZSA-N 2 1 343.515 3.085 20 0 EGADMP CC[C@@H]1C[C@@H](C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000435371338 458121896 /nfs/dbraw/zinc/12/18/96/458121896.db2.gz MDNMSAVWPARXRE-DFQSSKMNSA-N 2 1 331.504 3.231 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435373766 458124012 /nfs/dbraw/zinc/12/40/12/458124012.db2.gz FTYHTXMTJQFEFQ-GXTWGEPZSA-N 2 1 338.377 3.060 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435373552 458124743 /nfs/dbraw/zinc/12/47/43/458124743.db2.gz VDKGJKKQLKHELR-SJLPKXTDSA-N 2 1 347.466 3.103 20 0 EGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000435373759 458125227 /nfs/dbraw/zinc/12/52/27/458125227.db2.gz VKYROFCKIFSVIR-GXTWGEPZSA-N 2 1 338.377 3.060 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435376969 458126191 /nfs/dbraw/zinc/12/61/91/458126191.db2.gz WUKJXEIHWJNLOQ-PKOBYXMFSA-N 2 1 339.483 3.447 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000358655818 458132803 /nfs/dbraw/zinc/13/28/03/458132803.db2.gz BQERVUVPBLZBBA-IAGOWNOFSA-N 2 1 348.535 3.144 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000435395116 458136204 /nfs/dbraw/zinc/13/62/04/458136204.db2.gz RFQPQWWRYKCJOH-INIZCTEOSA-N 2 1 325.456 3.189 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000435395116 458136208 /nfs/dbraw/zinc/13/62/08/458136208.db2.gz RFQPQWWRYKCJOH-INIZCTEOSA-N 2 1 325.456 3.189 20 0 EGADMP CCn1nccc1C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435423295 458143104 /nfs/dbraw/zinc/14/31/04/458143104.db2.gz SOLPPZWETUEFFX-KRWDZBQOSA-N 2 1 330.501 3.109 20 0 EGADMP CCn1nccc1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435423295 458143114 /nfs/dbraw/zinc/14/31/14/458143114.db2.gz SOLPPZWETUEFFX-KRWDZBQOSA-N 2 1 330.501 3.109 20 0 EGADMP CC[N@H+](CC(=O)N[C@H](c1ccc(F)cc1)C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435623409 458174529 /nfs/dbraw/zinc/17/45/29/458174529.db2.gz CMPPGVBNSBMCAG-QUCCMNQESA-N 2 1 349.494 3.103 20 0 EGADMP CC[N@@H+](CC(=O)N[C@H](c1ccc(F)cc1)C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435623409 458174537 /nfs/dbraw/zinc/17/45/37/458174537.db2.gz CMPPGVBNSBMCAG-QUCCMNQESA-N 2 1 349.494 3.103 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000358729463 458175095 /nfs/dbraw/zinc/17/50/95/458175095.db2.gz YGHBFTUVMCZXCY-DNVCBOLYSA-N 2 1 335.923 3.234 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000358729463 458175101 /nfs/dbraw/zinc/17/51/01/458175101.db2.gz YGHBFTUVMCZXCY-DNVCBOLYSA-N 2 1 335.923 3.234 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3nn(C)cc32)c1 ZINC000358738705 458182371 /nfs/dbraw/zinc/18/23/71/458182371.db2.gz BCYUATLQYVTHON-LJQANCHMSA-N 2 1 326.488 3.428 20 0 EGADMP COc1ccc(CC[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1 ZINC000435732668 458192680 /nfs/dbraw/zinc/19/26/80/458192680.db2.gz QAOWFSSAFPMZOT-KRWDZBQOSA-N 2 1 345.512 3.114 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000362472377 458201373 /nfs/dbraw/zinc/20/13/73/458201373.db2.gz JTJXZLXJDSYVMY-GPMSIDNRSA-N 2 1 329.488 3.197 20 0 EGADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000362472377 458201382 /nfs/dbraw/zinc/20/13/82/458201382.db2.gz JTJXZLXJDSYVMY-GPMSIDNRSA-N 2 1 329.488 3.197 20 0 EGADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000362472377 458201386 /nfs/dbraw/zinc/20/13/86/458201386.db2.gz JTJXZLXJDSYVMY-GPMSIDNRSA-N 2 1 329.488 3.197 20 0 EGADMP COC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C1CCCC1 ZINC000446755747 458225513 /nfs/dbraw/zinc/22/55/13/458225513.db2.gz YOWZSUBSKQHOSU-UWJYYQICSA-N 2 1 346.515 3.202 20 0 EGADMP COC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C1CCCC1 ZINC000446755747 458225518 /nfs/dbraw/zinc/22/55/18/458225518.db2.gz YOWZSUBSKQHOSU-UWJYYQICSA-N 2 1 346.515 3.202 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000362551943 458264677 /nfs/dbraw/zinc/26/46/77/458264677.db2.gz KBONVBOZFWHEQM-GPMSIDNRSA-N 2 1 329.488 3.055 20 0 EGADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000362551943 458264681 /nfs/dbraw/zinc/26/46/81/458264681.db2.gz KBONVBOZFWHEQM-GPMSIDNRSA-N 2 1 329.488 3.055 20 0 EGADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000362551943 458264683 /nfs/dbraw/zinc/26/46/83/458264683.db2.gz KBONVBOZFWHEQM-GPMSIDNRSA-N 2 1 329.488 3.055 20 0 EGADMP CCCc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000376326481 458267821 /nfs/dbraw/zinc/26/78/21/458267821.db2.gz ZLWIQVQETKWNOJ-GHTZIAJQSA-N 2 1 329.532 3.097 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2c[nH]nc2-c2ccsc2)C[C@H](C)O1 ZINC000436246542 458274934 /nfs/dbraw/zinc/27/49/34/458274934.db2.gz ZWHCXPZAYMDMET-GASCZTMLSA-N 2 1 348.516 3.117 20 0 EGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000372333686 458279960 /nfs/dbraw/zinc/27/99/60/458279960.db2.gz RXCPUMIKQMCDDW-KNQAVFIVSA-N 2 1 343.559 3.343 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCCCc3ccccc3)C2)CC1 ZINC000372338360 458282100 /nfs/dbraw/zinc/28/21/00/458282100.db2.gz QLNMXZAIJGCOOT-NRFANRHFSA-N 2 1 329.532 3.110 20 0 EGADMP c1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@H+]3C3CCCCC3)CC2)nc1 ZINC000436293141 458283603 /nfs/dbraw/zinc/28/36/03/458283603.db2.gz ODLPCVWUPLMLPN-FQEVSTJZSA-N 2 1 342.531 3.437 20 0 EGADMP c1ccc(N2CCC([NH2+]C[C@H]3CCC[N@H+]3C3CCCCC3)CC2)nc1 ZINC000436293143 458284708 /nfs/dbraw/zinc/28/47/08/458284708.db2.gz ODLPCVWUPLMLPN-HXUWFJFHSA-N 2 1 342.531 3.437 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@](C)(C[NH3+])CC(C)C)cc1 ZINC000429189683 458290400 /nfs/dbraw/zinc/29/04/00/458290400.db2.gz LDSYEBBLRLPGMM-FQEVSTJZSA-N 2 1 333.520 3.412 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(n2)CCCC3)[C@@H](C)C1 ZINC000447581444 458316131 /nfs/dbraw/zinc/31/61/31/458316131.db2.gz SYOLKJPUFLSTEV-PXNSSMCTSA-N 2 1 345.531 3.187 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(n2)CCCC3)[C@@H](C)C1 ZINC000447581444 458316136 /nfs/dbraw/zinc/31/61/36/458316136.db2.gz SYOLKJPUFLSTEV-PXNSSMCTSA-N 2 1 345.531 3.187 20 0 EGADMP CC[NH+](CC)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)CC(C)C ZINC000459376096 458349455 /nfs/dbraw/zinc/34/94/55/458349455.db2.gz ZTXAEIXEWIGLRL-HXUWFJFHSA-N 3 1 332.536 3.397 20 0 EGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459447411 458375260 /nfs/dbraw/zinc/37/52/60/458375260.db2.gz JPHROMMFRYJNEW-FQEVSTJZSA-N 3 1 330.520 3.151 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459447411 458375265 /nfs/dbraw/zinc/37/52/65/458375265.db2.gz JPHROMMFRYJNEW-FQEVSTJZSA-N 3 1 330.520 3.151 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)[C@H]1SC ZINC000459469948 458382965 /nfs/dbraw/zinc/38/29/65/458382965.db2.gz TVGAOQSBJOTMJQ-FZMABENVSA-N 2 1 326.550 3.138 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CCOC1 ZINC000376835614 458402610 /nfs/dbraw/zinc/40/26/10/458402610.db2.gz DZEYOBQCTSTVFN-OUJGAGHGSA-N 2 1 328.500 3.302 20 0 EGADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000459562151 458411988 /nfs/dbraw/zinc/41/19/88/458411988.db2.gz AMBARJXYOIDZHD-SFTDATJTSA-N 2 1 329.532 3.140 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000423479218 458440150 /nfs/dbraw/zinc/44/01/50/458440150.db2.gz URXZVRVCTCBCKK-SSSFQFABSA-N 3 1 327.516 3.289 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000423479218 458440151 /nfs/dbraw/zinc/44/01/51/458440151.db2.gz URXZVRVCTCBCKK-SSSFQFABSA-N 2 1 327.516 3.289 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc2cc(OC)ccc2c1 ZINC000423498270 458443923 /nfs/dbraw/zinc/44/39/23/458443923.db2.gz BPRXPGMMHNDVBU-PMACEKPBSA-N 2 1 328.456 3.268 20 0 EGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423532047 458454207 /nfs/dbraw/zinc/45/42/07/458454207.db2.gz QUKMWHPGZAKWTI-UGSOOPFHSA-N 2 1 330.476 3.139 20 0 EGADMP COc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)ccc1OC(F)F ZINC000423532771 458454221 /nfs/dbraw/zinc/45/42/21/458454221.db2.gz RVVMSCYLVRLETI-SMDDNHRTSA-N 2 1 328.403 3.465 20 0 EGADMP COc1ccc(Br)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459733311 458461727 /nfs/dbraw/zinc/46/17/27/458461727.db2.gz NGZXAQXIWBEWFI-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000430581465 458466645 /nfs/dbraw/zinc/46/66/45/458466645.db2.gz ONVNHEYTPQNKFP-STQMWFEESA-N 2 1 343.393 3.093 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CC3 ZINC000459786684 458479239 /nfs/dbraw/zinc/47/92/39/458479239.db2.gz PGPDYFPLLGCSQV-JKSUJKDBSA-N 2 1 341.499 3.355 20 0 EGADMP CCO[C@@H]1CC[N@@H+](CC[C@H](C)[NH+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000451541800 458480726 /nfs/dbraw/zinc/48/07/26/458480726.db2.gz MHPONCBTJJUDHM-YHDCXSKOSA-N 2 1 340.552 3.259 20 0 EGADMP CCO[C@@H]1CC[NH+](CC[C@H](C)[N@@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000451541800 458480727 /nfs/dbraw/zinc/48/07/27/458480727.db2.gz MHPONCBTJJUDHM-YHDCXSKOSA-N 2 1 340.552 3.259 20 0 EGADMP CCO[C@@H]1CC[NH+](CC[C@H](C)[N@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000451541800 458480730 /nfs/dbraw/zinc/48/07/30/458480730.db2.gz MHPONCBTJJUDHM-YHDCXSKOSA-N 2 1 340.552 3.259 20 0 EGADMP C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000423832784 458494055 /nfs/dbraw/zinc/49/40/55/458494055.db2.gz SGTQIPVGNYHUTH-LKCYJCQHSA-N 2 1 349.906 3.109 20 0 EGADMP C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000423832784 458494058 /nfs/dbraw/zinc/49/40/58/458494058.db2.gz SGTQIPVGNYHUTH-LKCYJCQHSA-N 2 1 349.906 3.109 20 0 EGADMP [NH3+]C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430927978 458506184 /nfs/dbraw/zinc/50/61/84/458506184.db2.gz KGFZMCNBDPCLJR-MRXNPFEDSA-N 2 1 339.439 3.088 20 0 EGADMP C[C@@H]1C[C@H](CCNC(=O)C2([NH3+])CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000423891730 458506935 /nfs/dbraw/zinc/50/69/35/458506935.db2.gz BRYKANIELGNFDU-MJGOQNOKSA-N 2 1 343.515 3.065 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430933150 458507756 /nfs/dbraw/zinc/50/77/56/458507756.db2.gz HFHQCGQWSHWUFH-UHFFFAOYSA-N 3 1 329.532 3.220 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430933150 458507762 /nfs/dbraw/zinc/50/77/62/458507762.db2.gz HFHQCGQWSHWUFH-UHFFFAOYSA-N 3 1 329.532 3.220 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]1C1CCCC1)c1ccccc1 ZINC000460383845 458514655 /nfs/dbraw/zinc/51/46/55/458514655.db2.gz IGTFOOUVDMSWCZ-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1)C1CC1 ZINC000424066849 458549451 /nfs/dbraw/zinc/54/94/51/458549451.db2.gz GHVGUIAQWXECTN-GJYPPUQNSA-N 2 1 343.515 3.116 20 0 EGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424151569 458571669 /nfs/dbraw/zinc/57/16/69/458571669.db2.gz HZPPVSMABLQYFK-QRVBRYPASA-N 2 1 335.536 3.150 20 0 EGADMP C[NH2+]CCC1CC[NH+](Cc2ccc(Br)cc2OC)CC1 ZINC000469848610 458595920 /nfs/dbraw/zinc/59/59/20/458595920.db2.gz LMVTXHBQTLAYDY-UHFFFAOYSA-N 2 1 341.293 3.279 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)c1 ZINC000424293719 458606582 /nfs/dbraw/zinc/60/65/82/458606582.db2.gz PSIZZIRSCBRDQU-KRWDZBQOSA-N 2 1 329.488 3.014 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297415 458607343 /nfs/dbraw/zinc/60/73/43/458607343.db2.gz SOAPJVNNPPSFEO-CQSZACIVSA-N 2 1 335.879 3.051 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424300125 458609632 /nfs/dbraw/zinc/60/96/32/458609632.db2.gz JSGCYTIAPCMEGM-IBGZPJMESA-N 3 1 335.511 3.312 20 0 EGADMP CCCC[N@H+](C)CC1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424300125 458609638 /nfs/dbraw/zinc/60/96/38/458609638.db2.gz JSGCYTIAPCMEGM-IBGZPJMESA-N 2 1 335.511 3.312 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424300125 458609644 /nfs/dbraw/zinc/60/96/44/458609644.db2.gz JSGCYTIAPCMEGM-IBGZPJMESA-N 2 1 335.511 3.312 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](C[C@H](CN)c2ccc(F)cc2)CC1 ZINC000424300125 458609650 /nfs/dbraw/zinc/60/96/50/458609650.db2.gz JSGCYTIAPCMEGM-IBGZPJMESA-N 2 1 335.511 3.312 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](CN)c2ccc(F)cc2)CC1 ZINC000424300125 458609657 /nfs/dbraw/zinc/60/96/57/458609657.db2.gz JSGCYTIAPCMEGM-IBGZPJMESA-N 2 1 335.511 3.312 20 0 EGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000431722482 458613181 /nfs/dbraw/zinc/61/31/81/458613181.db2.gz MFPUTOMMRLXOBG-HKUYNNGSSA-N 2 1 345.531 3.306 20 0 EGADMP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)Cc1ccccc1 ZINC000431753371 458618749 /nfs/dbraw/zinc/61/87/49/458618749.db2.gz KCINMKGPKGYFKG-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)Cc1ccccc1 ZINC000431753371 458618755 /nfs/dbraw/zinc/61/87/55/458618755.db2.gz KCINMKGPKGYFKG-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)Cc1ccccc1 ZINC000431753371 458618759 /nfs/dbraw/zinc/61/87/59/458618759.db2.gz KCINMKGPKGYFKG-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP CCCOc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OC ZINC000424383807 458629996 /nfs/dbraw/zinc/62/99/96/458629996.db2.gz UOCJCSUTFCNCMZ-INIZCTEOSA-N 2 1 332.488 3.448 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1nc3ccc(Cl)cc3n1C)CC[NH2+]CC2 ZINC000424386606 458630953 /nfs/dbraw/zinc/63/09/53/458630953.db2.gz XQOVGRYUABJWEH-CYBMUJFWSA-N 2 1 332.879 3.191 20 0 EGADMP COc1cccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1OC(C)C ZINC000424385625 458631537 /nfs/dbraw/zinc/63/15/37/458631537.db2.gz WFDXRVOTNJHQDM-MRXNPFEDSA-N 2 1 332.488 3.446 20 0 EGADMP CC[C@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000546810627 458677540 /nfs/dbraw/zinc/67/75/40/458677540.db2.gz SXJPDIPWQSRTSB-SFTDATJTSA-N 2 1 329.532 3.457 20 0 EGADMP CC[C@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000546810627 458677547 /nfs/dbraw/zinc/67/75/47/458677547.db2.gz SXJPDIPWQSRTSB-SFTDATJTSA-N 2 1 329.532 3.457 20 0 EGADMP CC[C@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000546810627 458677553 /nfs/dbraw/zinc/67/75/53/458677553.db2.gz SXJPDIPWQSRTSB-SFTDATJTSA-N 2 1 329.532 3.457 20 0 EGADMP CCCCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1(C)C ZINC000432415981 458735765 /nfs/dbraw/zinc/73/57/65/458735765.db2.gz XSANZAMOKZKZTB-RCCFBDPRSA-N 2 1 326.525 3.061 20 0 EGADMP CCCCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1(C)C ZINC000432415981 458735770 /nfs/dbraw/zinc/73/57/70/458735770.db2.gz XSANZAMOKZKZTB-RCCFBDPRSA-N 2 1 326.525 3.061 20 0 EGADMP CC[N@H+](CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000495011589 458782030 /nfs/dbraw/zinc/78/20/30/458782030.db2.gz KRPKXTHOWAIWPM-INIZCTEOSA-N 2 1 327.513 3.096 20 0 EGADMP CC[N@@H+](CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000495011589 458782035 /nfs/dbraw/zinc/78/20/35/458782035.db2.gz KRPKXTHOWAIWPM-INIZCTEOSA-N 2 1 327.513 3.096 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000495078082 458794935 /nfs/dbraw/zinc/79/49/35/458794935.db2.gz HRYLEOXLYHVLOY-INIZCTEOSA-N 2 1 343.515 3.446 20 0 EGADMP C[C@H]1C[N@H+](CCCNc2cc[nH+]c3ccc(Cl)cc23)CCCO1 ZINC000432862508 458802549 /nfs/dbraw/zinc/80/25/49/458802549.db2.gz FJMPWZRBCBSXKU-AWEZNQCLSA-N 2 1 333.863 3.223 20 0 EGADMP C[C@H]1C[N@@H+](CCCNc2cc[nH+]c3ccc(Cl)cc23)CCCO1 ZINC000432862508 458802556 /nfs/dbraw/zinc/80/25/56/458802556.db2.gz FJMPWZRBCBSXKU-AWEZNQCLSA-N 2 1 333.863 3.223 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000473282087 458824335 /nfs/dbraw/zinc/82/43/35/458824335.db2.gz ITNFOXPJVAFQGP-IAGOWNOFSA-N 2 1 339.911 3.226 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000473317898 458825713 /nfs/dbraw/zinc/82/57/13/458825713.db2.gz USGLMWAKGGPGNJ-VQTJNVASSA-N 2 1 345.531 3.324 20 0 EGADMP C[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000440617874 458833638 /nfs/dbraw/zinc/83/36/38/458833638.db2.gz ULGXWIFAOWEIJR-RYUDHWBXSA-N 2 1 330.398 3.171 20 0 EGADMP C[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000440617874 458833640 /nfs/dbraw/zinc/83/36/40/458833640.db2.gz ULGXWIFAOWEIJR-RYUDHWBXSA-N 2 1 330.398 3.171 20 0 EGADMP CCCc1cc(NCCN2CC[N@@H+](C)C(C)(C)C2)c2ccccc2[nH+]1 ZINC000440681250 458841880 /nfs/dbraw/zinc/84/18/80/458841880.db2.gz SROSEVWTUHRNSF-UHFFFAOYSA-N 2 1 340.515 3.047 20 0 EGADMP CCCc1cc(NCC[N@@H+]2CCN(C)C(C)(C)C2)c2ccccc2[nH+]1 ZINC000440681250 458841884 /nfs/dbraw/zinc/84/18/84/458841884.db2.gz SROSEVWTUHRNSF-UHFFFAOYSA-N 2 1 340.515 3.047 20 0 EGADMP CCCc1cc(NCC[N@H+]2CCN(C)C(C)(C)C2)c2ccccc2[nH+]1 ZINC000440681250 458841888 /nfs/dbraw/zinc/84/18/88/458841888.db2.gz SROSEVWTUHRNSF-UHFFFAOYSA-N 2 1 340.515 3.047 20 0 EGADMP CC(C)[N@@H+](C)CC1CCN(c2ccncc2Br)CC1 ZINC000548154254 458846419 /nfs/dbraw/zinc/84/64/19/458846419.db2.gz BBDHDYXDDVDCHE-UHFFFAOYSA-N 2 1 326.282 3.401 20 0 EGADMP CC(C)[N@H+](C)CC1CCN(c2cc[nH+]cc2Br)CC1 ZINC000548154254 458846422 /nfs/dbraw/zinc/84/64/22/458846422.db2.gz BBDHDYXDDVDCHE-UHFFFAOYSA-N 2 1 326.282 3.401 20 0 EGADMP CC(C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2Br)CC1 ZINC000548154254 458846426 /nfs/dbraw/zinc/84/64/26/458846426.db2.gz BBDHDYXDDVDCHE-UHFFFAOYSA-N 2 1 326.282 3.401 20 0 EGADMP CCOC(=O)C1(C)CCC([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000474481607 458888301 /nfs/dbraw/zinc/88/83/01/458888301.db2.gz YIYBZOBMPPNQOJ-ZVBHREPYSA-N 2 1 338.536 3.456 20 0 EGADMP CCNC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000519138328 458918458 /nfs/dbraw/zinc/91/84/58/458918458.db2.gz VVEKXSUWGSMKGK-WOJBJXKFSA-N 2 1 337.467 3.019 20 0 EGADMP CCCCCOc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000441389454 458932977 /nfs/dbraw/zinc/93/29/77/458932977.db2.gz ZNITZXMLTXHDCB-UHFFFAOYSA-N 2 1 347.547 3.371 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000475726992 458961753 /nfs/dbraw/zinc/96/17/53/458961753.db2.gz WWZAEVIXZHEDAB-CVEARBPZSA-N 2 1 337.508 3.466 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000475726992 458961756 /nfs/dbraw/zinc/96/17/56/458961756.db2.gz WWZAEVIXZHEDAB-CVEARBPZSA-N 2 1 337.508 3.466 20 0 EGADMP CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000531701938 458963396 /nfs/dbraw/zinc/96/33/96/458963396.db2.gz SFWFLXKFQRRSSU-IEBWSBKVSA-N 2 1 334.504 3.219 20 0 EGADMP C[C@H](CCc1ccccc1)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000519569338 458965718 /nfs/dbraw/zinc/96/57/18/458965718.db2.gz WZOKFUZBBYGXQS-LJQANCHMSA-N 2 1 331.548 3.213 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c(OC[C@H]2CCCO2)c1 ZINC000531735033 458969262 /nfs/dbraw/zinc/96/92/62/458969262.db2.gz WNGSGISNLWTWSS-PIKOESSRSA-N 2 1 346.515 3.371 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(OC[C@H]2CCCO2)c1 ZINC000531735033 458969267 /nfs/dbraw/zinc/96/92/67/458969267.db2.gz WNGSGISNLWTWSS-PIKOESSRSA-N 2 1 346.515 3.371 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000577183185 458993901 /nfs/dbraw/zinc/99/39/01/458993901.db2.gz USYRAZRBWRCMPS-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCNC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476982805 459025983 /nfs/dbraw/zinc/02/59/83/459025983.db2.gz KKJLCYMGVGJLDK-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@@H+](CCOc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442757614 459031773 /nfs/dbraw/zinc/03/17/73/459031773.db2.gz MQYIUKUPCRCLQB-PBWFPOADSA-N 2 1 328.378 3.299 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Br)cc2cccnc21 ZINC000442761808 459033055 /nfs/dbraw/zinc/03/30/55/459033055.db2.gz CWDMJPJKGUCVMH-VXGBXAGGSA-N 2 1 334.261 3.166 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Br)cc2cccnc21 ZINC000442761808 459033060 /nfs/dbraw/zinc/03/30/60/459033060.db2.gz CWDMJPJKGUCVMH-VXGBXAGGSA-N 2 1 334.261 3.166 20 0 EGADMP CC(C)(CN[C@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000477917617 459066230 /nfs/dbraw/zinc/06/62/30/459066230.db2.gz NTZMPYWOFJXNFD-FQEVSTJZSA-N 2 1 329.532 3.363 20 0 EGADMP CC(C)(CN[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000477917617 459066234 /nfs/dbraw/zinc/06/62/34/459066234.db2.gz NTZMPYWOFJXNFD-FQEVSTJZSA-N 2 1 329.532 3.363 20 0 EGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000577676382 459072012 /nfs/dbraw/zinc/07/20/12/459072012.db2.gz BUVILPACXULZON-JXFKEZNVSA-N 2 1 341.499 3.228 20 0 EGADMP CC(C)(C)[C@H](NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1cccs1 ZINC000443057671 459079872 /nfs/dbraw/zinc/07/98/72/459079872.db2.gz HRISJFMVMZFHCF-RHSMWYFYSA-N 2 1 337.533 3.012 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443061068 459080890 /nfs/dbraw/zinc/08/08/90/459080890.db2.gz QUXMBZZWVJEOJK-SCTDSRPQSA-N 2 1 331.504 3.093 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]C2CCC(c3ccc(O)cc3)CC2)CC1(C)C ZINC000443071995 459084651 /nfs/dbraw/zinc/08/46/51/459084651.db2.gz TZSXUJNMSCOKBC-UHFFFAOYSA-N 2 1 345.531 3.034 20 0 EGADMP Cc1cc(-c2noc([C@H](C)[N@H+]3CCC[C@H](CC[NH3+])C3)n2)ccc1F ZINC000443076523 459086301 /nfs/dbraw/zinc/08/63/01/459086301.db2.gz SPLKLDCMGOVVMD-UONOGXRCSA-N 2 1 332.423 3.306 20 0 EGADMP CCC[NH2+][C@H](C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000521037312 459114039 /nfs/dbraw/zinc/11/40/39/459114039.db2.gz DJNNKDSNLQAQQN-DLBZAZTESA-N 2 1 331.504 3.065 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(OC(F)F)c1 ZINC000557882050 459116545 /nfs/dbraw/zinc/11/65/45/459116545.db2.gz WJJVVBUEHVQUTA-CYBMUJFWSA-N 2 1 328.403 3.117 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(OC(F)F)c1 ZINC000557882050 459116550 /nfs/dbraw/zinc/11/65/50/459116550.db2.gz WJJVVBUEHVQUTA-CYBMUJFWSA-N 2 1 328.403 3.117 20 0 EGADMP Cc1cccc2c1cc[nH+]c2N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000578013356 459131771 /nfs/dbraw/zinc/13/17/71/459131771.db2.gz OKKQUWLXBNXEME-OALUTQOASA-N 2 1 325.456 3.266 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)CC1 ZINC000578050563 459138571 /nfs/dbraw/zinc/13/85/71/459138571.db2.gz DUGFYQABLCBZIK-HXUWFJFHSA-N 2 1 336.483 3.307 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000567688019 459146199 /nfs/dbraw/zinc/14/61/99/459146199.db2.gz HHEDEMQVCGZESJ-QGZVFWFLSA-N 2 1 349.494 3.420 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000479567451 459149550 /nfs/dbraw/zinc/14/95/50/459149550.db2.gz XWHFZKXBJKDGNA-UHFFFAOYSA-N 2 1 342.531 3.292 20 0 EGADMP [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000567786529 459167249 /nfs/dbraw/zinc/16/72/49/459167249.db2.gz AZYDQXDDXYIBSX-OALUTQOASA-N 2 1 335.536 3.009 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCc3ccccn3)C2)s1 ZINC000567994200 459203628 /nfs/dbraw/zinc/20/36/28/459203628.db2.gz GDQWRWWXVDKIGX-QGZVFWFLSA-N 2 1 329.513 3.448 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCc3ccccn3)C2)s1 ZINC000567994200 459203634 /nfs/dbraw/zinc/20/36/34/459203634.db2.gz GDQWRWWXVDKIGX-QGZVFWFLSA-N 2 1 329.513 3.448 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCc3ccccn3)C2)s1 ZINC000567994200 459203638 /nfs/dbraw/zinc/20/36/38/459203638.db2.gz GDQWRWWXVDKIGX-QGZVFWFLSA-N 2 1 329.513 3.448 20 0 EGADMP C[C@H](CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1)C[NH+]1CCCCC1 ZINC000480900558 459223698 /nfs/dbraw/zinc/22/36/98/459223698.db2.gz RDUXTHZOUTVHBQ-RTBURBONSA-N 2 1 347.547 3.400 20 0 EGADMP C[N@H+]1CC[C@@H](c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)C1 ZINC000522236346 459228451 /nfs/dbraw/zinc/22/84/51/459228451.db2.gz QIPOVUXLHVJWNO-QGZVFWFLSA-N 2 1 326.444 3.142 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC000595081314 459239968 /nfs/dbraw/zinc/23/99/68/459239968.db2.gz RKDDITMMHNLCCD-VUHPKUFZSA-N 2 1 336.520 3.351 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC000595081314 459239974 /nfs/dbraw/zinc/23/99/74/459239974.db2.gz RKDDITMMHNLCCD-VUHPKUFZSA-N 2 1 336.520 3.351 20 0 EGADMP CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000559388388 459256595 /nfs/dbraw/zinc/25/65/95/459256595.db2.gz ZTBZPURXDRXESN-MOPGFXCFSA-N 2 1 338.923 3.342 20 0 EGADMP CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000559388388 459256599 /nfs/dbraw/zinc/25/65/99/459256599.db2.gz ZTBZPURXDRXESN-MOPGFXCFSA-N 2 1 338.923 3.342 20 0 EGADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000559842557 459280834 /nfs/dbraw/zinc/28/08/34/459280834.db2.gz JZFQKJPWJYDNLL-VSKRKVRLSA-N 2 1 338.495 3.324 20 0 EGADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000559842557 459280837 /nfs/dbraw/zinc/28/08/37/459280837.db2.gz JZFQKJPWJYDNLL-VSKRKVRLSA-N 2 1 338.495 3.324 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]1SC ZINC000590955474 459281504 /nfs/dbraw/zinc/28/15/04/459281504.db2.gz RGRNZBBBKAFIHK-IYWMVGAKSA-N 2 1 348.556 3.397 20 0 EGADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000482102593 459290451 /nfs/dbraw/zinc/29/04/51/459290451.db2.gz TVJXZACDLMVNLK-JZXOWHBKSA-N 2 1 335.923 3.405 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000482133676 459291306 /nfs/dbraw/zinc/29/13/06/459291306.db2.gz DKWMUQHDVDHQKY-CRAIPNDOSA-N 2 1 335.467 3.254 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(C)cc1 ZINC000482153339 459292604 /nfs/dbraw/zinc/29/26/04/459292604.db2.gz AVFQMYBLRBIUMG-IEBWSBKVSA-N 2 1 331.504 3.424 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000482164222 459294956 /nfs/dbraw/zinc/29/49/56/459294956.db2.gz NXDHNMVFAQZRDI-IPMKNSEASA-N 2 1 337.552 3.268 20 0 EGADMP CN(CCc1ccccc1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000560156017 459306116 /nfs/dbraw/zinc/30/61/16/459306116.db2.gz SYOZFNAWDAGZKH-QFIPXVFZSA-N 2 1 338.495 3.452 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000496752569 459311537 /nfs/dbraw/zinc/31/15/37/459311537.db2.gz LGDCBZXBBURLDV-QZTJIDSGSA-N 2 1 347.503 3.326 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000496752569 459311540 /nfs/dbraw/zinc/31/15/40/459311540.db2.gz LGDCBZXBBURLDV-QZTJIDSGSA-N 2 1 347.503 3.326 20 0 EGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496755050 459311868 /nfs/dbraw/zinc/31/18/68/459311868.db2.gz QJJXPVHOTABGEM-QAETUUGQSA-N 2 1 339.524 3.237 20 0 EGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496755050 459311871 /nfs/dbraw/zinc/31/18/71/459311871.db2.gz QJJXPVHOTABGEM-QAETUUGQSA-N 2 1 339.524 3.237 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000534347198 459319007 /nfs/dbraw/zinc/31/90/07/459319007.db2.gz XQCITPOWYGWXFJ-UHFFFAOYSA-N 2 1 330.520 3.234 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCN(c3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000560536022 459368074 /nfs/dbraw/zinc/36/80/74/459368074.db2.gz FWVQOAQABJKZBD-PCCBWWKXSA-N 2 1 327.516 3.365 20 0 EGADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1F ZINC000560594053 459377748 /nfs/dbraw/zinc/37/77/48/459377748.db2.gz FRSQQESWDMQUMM-JXFKEZNVSA-N 2 1 334.479 3.431 20 0 EGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1F ZINC000560594053 459377752 /nfs/dbraw/zinc/37/77/52/459377752.db2.gz FRSQQESWDMQUMM-JXFKEZNVSA-N 2 1 334.479 3.431 20 0 EGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1F ZINC000560594053 459377756 /nfs/dbraw/zinc/37/77/56/459377756.db2.gz FRSQQESWDMQUMM-JXFKEZNVSA-N 2 1 334.479 3.431 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)CN[C@H](C)c1ccccc1OCc1ccccc1 ZINC000582554469 459383917 /nfs/dbraw/zinc/38/39/17/459383917.db2.gz NRTXSGXIANPTDE-MJGOQNOKSA-N 2 1 342.483 3.229 20 0 EGADMP CCc1ccc(-c2noc([C@H](C)[NH2+]CCCc3c[nH+]cn3C)n2)cc1 ZINC000582554446 459384061 /nfs/dbraw/zinc/38/40/61/459384061.db2.gz NCKYQVXPUVVQMJ-AWEZNQCLSA-N 2 1 339.443 3.316 20 0 EGADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000496957066 459385019 /nfs/dbraw/zinc/38/50/19/459385019.db2.gz PYLIFZWILXSOJM-QBPKDAKJSA-N 2 1 339.524 3.142 20 0 EGADMP C[N@H+]1CCCC12CCN(CCOc1ccc(Cl)c(F)c1)CC2 ZINC000484085021 459405806 /nfs/dbraw/zinc/40/58/06/459405806.db2.gz UILMUZDLTCDOPW-UHFFFAOYSA-N 2 1 326.843 3.418 20 0 EGADMP COc1nc2ccccc2cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000560966682 459408008 /nfs/dbraw/zinc/40/80/08/459408008.db2.gz IXBMPNNDQWPYFC-APWZRJJASA-N 2 1 325.456 3.207 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000560966682 459408012 /nfs/dbraw/zinc/40/80/12/459408012.db2.gz IXBMPNNDQWPYFC-APWZRJJASA-N 2 1 325.456 3.207 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)CCC(C)C)CC2)CC1 ZINC000561109864 459421348 /nfs/dbraw/zinc/42/13/48/459421348.db2.gz SIMAYACPJLLDFF-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c(OCC(F)(F)F)c1 ZINC000484612663 459421442 /nfs/dbraw/zinc/42/14/42/459421442.db2.gz GNJPZGKJDYTBDO-HIFRSBDPSA-N 2 1 330.394 3.366 20 0 EGADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c(OCC(F)(F)F)c1 ZINC000484612663 459421445 /nfs/dbraw/zinc/42/14/45/459421445.db2.gz GNJPZGKJDYTBDO-HIFRSBDPSA-N 2 1 330.394 3.366 20 0 EGADMP CCCCOc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000484749289 459429157 /nfs/dbraw/zinc/42/91/57/459429157.db2.gz QJKLWIRDDQKXHV-NJDAHSKKSA-N 2 1 346.515 3.155 20 0 EGADMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)ccc1OC(F)F ZINC000583071856 459477198 /nfs/dbraw/zinc/47/71/98/459477198.db2.gz VYBFBMYCZKDJRK-OCCSQVGLSA-N 2 1 328.403 3.117 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497221609 459491966 /nfs/dbraw/zinc/49/19/66/459491966.db2.gz NBRYTCUKCHMVQU-DOTOQJQBSA-N 2 1 339.524 3.238 20 0 EGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@H](C)n1ccnc1 ZINC000583502686 459552101 /nfs/dbraw/zinc/55/21/01/459552101.db2.gz AXFZORXCXFBCLA-HKUYNNGSSA-N 2 1 342.487 3.107 20 0 EGADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])c2ccccc2C)C1 ZINC000583869638 459609985 /nfs/dbraw/zinc/60/99/85/459609985.db2.gz BTTSDZFCAIRTNU-FUHWJXTLSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])c2ccccc2C)C1 ZINC000583869638 459609986 /nfs/dbraw/zinc/60/99/86/459609986.db2.gz BTTSDZFCAIRTNU-FUHWJXTLSA-N 2 1 331.504 3.012 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000543433603 459657082 /nfs/dbraw/zinc/65/70/82/459657082.db2.gz GDIAWXPSYWBSQE-XHSDSOJGSA-N 2 1 325.541 3.026 20 0 EGADMP COc1ncc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000543459410 459660203 /nfs/dbraw/zinc/66/02/03/459660203.db2.gz SRNLVVRILRJEDB-DZGCQCFKSA-N 2 1 337.895 3.486 20 0 EGADMP COc1ncc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000543459410 459660210 /nfs/dbraw/zinc/66/02/10/459660210.db2.gz SRNLVVRILRJEDB-DZGCQCFKSA-N 2 1 337.895 3.486 20 0 EGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCN(C(C)(C)C)C3=O)CC2)C1 ZINC000584231629 459686972 /nfs/dbraw/zinc/68/69/72/459686972.db2.gz GYUUROZYJWBENL-BPQIPLTHSA-N 2 1 335.536 3.019 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1)C(C)C ZINC000563115192 459717891 /nfs/dbraw/zinc/71/78/91/459717891.db2.gz NUYXAFCITFMRSS-HKUYNNGSSA-N 2 1 331.504 3.164 20 0 EGADMP C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(Cl)cc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000544129849 459731283 /nfs/dbraw/zinc/73/12/83/459731283.db2.gz NVNDUWZWLKMUFF-CDHQVMDDSA-N 2 1 347.934 3.285 20 0 EGADMP C[C@@H]1C[N@H+]([C@@H]2CCc3ccc(Cl)cc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000544129849 459731287 /nfs/dbraw/zinc/73/12/87/459731287.db2.gz NVNDUWZWLKMUFF-CDHQVMDDSA-N 2 1 347.934 3.285 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(F)c1 ZINC000544422500 459758577 /nfs/dbraw/zinc/75/85/77/459758577.db2.gz WARUIPYUFSNAGU-JKSUJKDBSA-N 2 1 347.478 3.315 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(F)c1 ZINC000544422500 459758585 /nfs/dbraw/zinc/75/85/85/459758585.db2.gz WARUIPYUFSNAGU-JKSUJKDBSA-N 2 1 347.478 3.315 20 0 EGADMP C[N@@H+](CCC[NH3+])Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000566225686 459825632 /nfs/dbraw/zinc/82/56/32/459825632.db2.gz FCZGXMAKSMBFKR-UHFFFAOYSA-N 2 1 341.171 3.128 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCSCc3ccccc3)C2)C1 ZINC000593315421 459839156 /nfs/dbraw/zinc/83/91/56/459839156.db2.gz JNLPGDITVQWBNR-IPMKNSEASA-N 2 1 334.529 3.138 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3snnc3C)C2)s1 ZINC000566306721 459839373 /nfs/dbraw/zinc/83/93/73/459839373.db2.gz WRXUMCZIGVCPOT-CQSZACIVSA-N 2 1 336.530 3.170 20 0 EGADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000566415215 459862547 /nfs/dbraw/zinc/86/25/47/459862547.db2.gz YMAMOLXMRIACOZ-FQEVSTJZSA-N 2 1 338.499 3.396 20 0 EGADMP CCCc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)s1 ZINC000598672956 459985579 /nfs/dbraw/zinc/98/55/79/459985579.db2.gz MKAMNFMSJGAFNX-QGZVFWFLSA-N 2 1 335.561 3.301 20 0 EGADMP CSC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602550597 459993483 /nfs/dbraw/zinc/99/34/83/459993483.db2.gz JZYHNFADCYPRIK-QXAKKESOSA-N 2 1 334.529 3.058 20 0 EGADMP CSC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602550597 459993496 /nfs/dbraw/zinc/99/34/96/459993496.db2.gz JZYHNFADCYPRIK-QXAKKESOSA-N 2 1 334.529 3.058 20 0 EGADMP COc1cccc2c1CCC[C@@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000575742022 459993802 /nfs/dbraw/zinc/99/38/02/459993802.db2.gz LSOQTWNLFAPHKS-IBGZPJMESA-N 2 1 344.499 3.307 20 0 EGADMP COC(=O)c1cc([C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)oc1C ZINC000575819570 460010139 /nfs/dbraw/zinc/01/01/39/460010139.db2.gz SSXSCTVXDVNRJY-CQSZACIVSA-N 2 1 336.476 3.488 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)c2ccccc21 ZINC000621748507 460046259 /nfs/dbraw/zinc/04/62/59/460046259.db2.gz HRSCSKGOPVZGKD-LPHOPBHVSA-N 2 1 329.488 3.338 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c2ccccc21 ZINC000621748507 460046267 /nfs/dbraw/zinc/04/62/67/460046267.db2.gz HRSCSKGOPVZGKD-LPHOPBHVSA-N 2 1 329.488 3.338 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3cc(F)ccc3F)C2)CC1 ZINC000610250362 460098148 /nfs/dbraw/zinc/09/81/48/460098148.db2.gz WTJIGIROXBSTOG-NVXWUHKLSA-N 2 1 337.458 3.126 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3cc(F)ccc3F)C2)CC1 ZINC000610250362 460098151 /nfs/dbraw/zinc/09/81/51/460098151.db2.gz WTJIGIROXBSTOG-NVXWUHKLSA-N 2 1 337.458 3.126 20 0 EGADMP CC[C@H](CC1CCCC1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000576612416 460178826 /nfs/dbraw/zinc/17/88/26/460178826.db2.gz PHGWSZZTIQXRAQ-QGZVFWFLSA-N 2 1 344.503 3.378 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000625469850 460185370 /nfs/dbraw/zinc/18/53/70/460185370.db2.gz WSQJQUPYDWSKIF-UHFFFAOYSA-N 2 1 327.472 3.160 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000625469850 460185375 /nfs/dbraw/zinc/18/53/75/460185375.db2.gz WSQJQUPYDWSKIF-UHFFFAOYSA-N 2 1 327.472 3.160 20 0 EGADMP COC(=O)CCCC[N@H+]1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000599340381 460231278 /nfs/dbraw/zinc/23/12/78/460231278.db2.gz UZGUQKGQCNQYED-MRXNPFEDSA-N 2 1 329.444 3.152 20 0 EGADMP CC[N@@H+](CC(=O)N(C)C1CCCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061862 460357975 /nfs/dbraw/zinc/35/79/75/460357975.db2.gz XWRRTRXKNVDMSQ-UHFFFAOYSA-N 2 1 345.531 3.361 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(OC)ccc32)[C@@H](C)C1 ZINC000631579931 460455954 /nfs/dbraw/zinc/45/59/54/460455954.db2.gz CRNMNESNZWNUIM-NDXORKPFSA-N 2 1 346.515 3.409 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+](CCC)C2)cc1 ZINC000619899878 460467146 /nfs/dbraw/zinc/46/71/46/460467146.db2.gz TYAAOHLOIFOXNY-LJQANCHMSA-N 2 1 331.504 3.133 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCC)C2)cc1 ZINC000619899878 460467152 /nfs/dbraw/zinc/46/71/52/460467152.db2.gz TYAAOHLOIFOXNY-LJQANCHMSA-N 2 1 331.504 3.133 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCC)C2)cc1 ZINC000619899878 460467158 /nfs/dbraw/zinc/46/71/58/460467158.db2.gz TYAAOHLOIFOXNY-LJQANCHMSA-N 2 1 331.504 3.133 20 0 EGADMP C[NH+](C)Cc1cccc(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)no2)c1 ZINC000634676923 460471410 /nfs/dbraw/zinc/47/14/10/460471410.db2.gz VOXTYCOHQXEOSR-ALOPSCKCSA-N 2 1 326.444 3.138 20 0 EGADMP O[C@]1(CNc2ccc3c[nH+]ccc3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634718581 460490942 /nfs/dbraw/zinc/49/09/42/460490942.db2.gz FVKPRUMSPKAVGP-NRFANRHFSA-N 2 1 333.435 3.284 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCCc2c1cnn2C ZINC000631667728 460500981 /nfs/dbraw/zinc/50/09/81/460500981.db2.gz RNXVQBKIVPQZKE-KPFFTGBYSA-N 2 1 338.499 3.155 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](CCc2nsc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000629562130 460808569 /nfs/dbraw/zinc/80/85/69/460808569.db2.gz MAZJPLRYFMNPNU-AAEUAGOBSA-N 2 1 343.418 3.298 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCc2nsc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000629562130 460808574 /nfs/dbraw/zinc/80/85/74/460808574.db2.gz MAZJPLRYFMNPNU-AAEUAGOBSA-N 2 1 343.418 3.298 20 0 EGADMP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629560553 460808800 /nfs/dbraw/zinc/80/88/00/460808800.db2.gz FRRJMWULNHVPFH-GDBMZVCRSA-N 2 1 330.394 3.433 20 0 EGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629560553 460808805 /nfs/dbraw/zinc/80/88/05/460808805.db2.gz FRRJMWULNHVPFH-GDBMZVCRSA-N 2 1 330.394 3.433 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(OC(F)F)c2)CC[C@H]1C(F)(F)F ZINC000629563503 460810595 /nfs/dbraw/zinc/81/05/95/460810595.db2.gz RCABEDYARHMUIQ-DGCLKSJQSA-N 2 1 338.320 3.247 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)CC[C@H]1C(F)(F)F ZINC000629563503 460810602 /nfs/dbraw/zinc/81/06/02/460810602.db2.gz RCABEDYARHMUIQ-DGCLKSJQSA-N 2 1 338.320 3.247 20 0 EGADMP COc1ccc2oc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc2c1 ZINC000629652814 460847866 /nfs/dbraw/zinc/84/78/66/460847866.db2.gz CBXWBNKTQVUZMM-SWLSCSKDSA-N 2 1 342.361 3.401 20 0 EGADMP COc1ccc2oc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc2c1 ZINC000629652814 460847873 /nfs/dbraw/zinc/84/78/73/460847873.db2.gz CBXWBNKTQVUZMM-SWLSCSKDSA-N 2 1 342.361 3.401 20 0 EGADMP CCCOc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629653322 460849026 /nfs/dbraw/zinc/84/90/26/460849026.db2.gz DYHQOXKVWPTVRR-GOEBONIOSA-N 2 1 330.394 3.435 20 0 EGADMP CCCOc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629653322 460849033 /nfs/dbraw/zinc/84/90/33/460849033.db2.gz DYHQOXKVWPTVRR-GOEBONIOSA-N 2 1 330.394 3.435 20 0 EGADMP COc1ccc([C@H](C)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629655886 460849791 /nfs/dbraw/zinc/84/97/91/460849791.db2.gz LPQIWJDSARCFDM-INWMFGNUSA-N 2 1 330.394 3.258 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CCCCC1 ZINC000632892560 460872310 /nfs/dbraw/zinc/87/23/10/460872310.db2.gz NKQJDWBABBQUSL-WMZOPIPTSA-N 2 1 342.487 3.029 20 0 EGADMP C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(OC[C@@H](O)C[NH3+])cc2)cc1 ZINC000629702749 460876269 /nfs/dbraw/zinc/87/62/69/460876269.db2.gz UKOLSPCAJBIQFY-JXFKEZNVSA-N 2 1 340.467 3.036 20 0 EGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C)[NH+](C)C ZINC000635847674 460947552 /nfs/dbraw/zinc/94/75/52/460947552.db2.gz AFSSVHBTKRAYHT-APWZRJJASA-N 2 1 342.487 3.123 20 0 EGADMP c1[nH]nc2cccc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)c12 ZINC000628254300 461063640 /nfs/dbraw/zinc/06/36/40/461063640.db2.gz VRCNCRZPDXFMLP-UHFFFAOYSA-N 2 1 335.455 3.475 20 0 EGADMP COc1ccc(COCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000608500410 461076455 /nfs/dbraw/zinc/07/64/55/461076455.db2.gz VXBQCAXJTAGDIR-LJQANCHMSA-N 2 1 332.488 3.020 20 0 EGADMP COc1ccc(COCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000608500410 461076458 /nfs/dbraw/zinc/07/64/58/461076458.db2.gz VXBQCAXJTAGDIR-LJQANCHMSA-N 2 1 332.488 3.020 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)no3)C2)C1 ZINC000652348248 461141926 /nfs/dbraw/zinc/14/19/26/461141926.db2.gz YQVIOHJYPCFXLP-QKLQHJQFSA-N 2 1 341.455 3.060 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ncc(-c4cccs4)o3)C2)C1 ZINC000652349353 461142020 /nfs/dbraw/zinc/14/20/20/461142020.db2.gz LMZPKLGDXGCFQC-ZNMIVQPWSA-N 2 1 347.484 3.121 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000668172329 461156572 /nfs/dbraw/zinc/15/65/72/461156572.db2.gz LDUANFGXKZWUAT-HQRMLTQVSA-N 2 1 332.488 3.016 20 0 EGADMP COc1cccc(SCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000662272928 461160602 /nfs/dbraw/zinc/16/06/02/461160602.db2.gz IJAYXMYGEILLFY-SJORKVTESA-N 2 1 334.529 3.499 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCc2nsc3ccccc32)C1 ZINC000662282923 461164722 /nfs/dbraw/zinc/16/47/22/461164722.db2.gz DNECLNWCORAWDB-FHLIZLRMSA-N 2 1 345.512 3.200 20 0 EGADMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1Cl ZINC000662283758 461165778 /nfs/dbraw/zinc/16/57/78/461165778.db2.gz KMUABLDALMZSTI-INMHGKMJSA-N 2 1 338.879 3.209 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1Cl ZINC000662286614 461165955 /nfs/dbraw/zinc/16/59/55/461165955.db2.gz SAAIDTIJBVLTBK-JLJPHGGASA-N 2 1 338.879 3.067 20 0 EGADMP c1csc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)c1 ZINC000662291495 461171077 /nfs/dbraw/zinc/17/10/77/461171077.db2.gz VBHNMBMXBLCBNI-CQSZACIVSA-N 2 1 332.473 3.010 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1C ZINC000662294561 461171957 /nfs/dbraw/zinc/17/19/57/461171957.db2.gz QUJGXGDBHBUAJS-PKOBYXMFSA-N 2 1 343.515 3.342 20 0 EGADMP Cc1sc(NC(=O)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)c1C ZINC000662296412 461175641 /nfs/dbraw/zinc/17/56/41/461175641.db2.gz ZQNNUKZQFHCWLX-KRWDZBQOSA-N 2 1 349.544 3.323 20 0 EGADMP Cc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662295640 461176165 /nfs/dbraw/zinc/17/61/65/461176165.db2.gz HJMFTBBDIMQPGX-GOSISDBHSA-N 2 1 340.471 3.257 20 0 EGADMP Cc1sc2[nH]c(C[N@@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])nc(=O)c2c1C ZINC000662317583 461190578 /nfs/dbraw/zinc/19/05/78/461190578.db2.gz SCSLVNIAKAQZSD-BXUZGUMPSA-N 2 1 348.516 3.353 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(=O)[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000638064676 461224438 /nfs/dbraw/zinc/22/44/38/461224438.db2.gz NWIJAMAOXORKKT-VQIMIIECSA-N 2 1 325.456 3.272 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(=O)[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000638064676 461224447 /nfs/dbraw/zinc/22/44/47/461224447.db2.gz NWIJAMAOXORKKT-VQIMIIECSA-N 2 1 325.456 3.272 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(=O)[nH]c2)CC[NH+]1Cc1ccccc1 ZINC000638064676 461224454 /nfs/dbraw/zinc/22/44/54/461224454.db2.gz NWIJAMAOXORKKT-VQIMIIECSA-N 2 1 325.456 3.272 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(=O)[nH]c2)CC[NH+]1Cc1ccccc1 ZINC000638064676 461224458 /nfs/dbraw/zinc/22/44/58/461224458.db2.gz NWIJAMAOXORKKT-VQIMIIECSA-N 2 1 325.456 3.272 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000662398279 461232281 /nfs/dbraw/zinc/23/22/81/461232281.db2.gz SPOMUMBETZAHQY-IBGZPJMESA-N 2 1 337.552 3.112 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2cccc3c2C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000662492599 461268060 /nfs/dbraw/zinc/26/80/60/461268060.db2.gz MNPBCXHUDMCXEF-APWZRJJASA-N 2 1 349.478 3.073 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1)C(C)C ZINC000646481544 461289901 /nfs/dbraw/zinc/28/99/01/461289901.db2.gz OOOTXJOUJKDYGN-QFBILLFUSA-N 2 1 331.504 3.082 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638280404 461346493 /nfs/dbraw/zinc/34/64/93/461346493.db2.gz FJOPRXALYYLQKT-CEWLAPEOSA-N 2 1 327.516 3.428 20 0 EGADMP CC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638280404 461346504 /nfs/dbraw/zinc/34/65/04/461346504.db2.gz FJOPRXALYYLQKT-CEWLAPEOSA-N 2 1 327.516 3.428 20 0 EGADMP c1ccc2sc(CC[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)nc2c1 ZINC000655682802 461359556 /nfs/dbraw/zinc/35/95/56/461359556.db2.gz KKKAXWQCTZUOIW-MRXNPFEDSA-N 2 1 345.512 3.072 20 0 EGADMP c1cn(CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc12 ZINC000655690748 461365548 /nfs/dbraw/zinc/36/55/48/461365548.db2.gz NYUBOZRDCJQVRA-FQEVSTJZSA-N 2 1 341.499 3.264 20 0 EGADMP CC(C)OCc1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655699577 461372527 /nfs/dbraw/zinc/37/25/27/461372527.db2.gz DFZXYTAMIFMKMV-OAQYLSRUSA-N 2 1 346.515 3.345 20 0 EGADMP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1ccc2ccccc2c1 ZINC000641806556 461379755 /nfs/dbraw/zinc/37/97/55/461379755.db2.gz QAQRAVIGLNAUMY-SPLQCWDRSA-N 2 1 339.483 3.121 20 0 EGADMP [NH3+][C@H](CCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)CC1CCCCC1 ZINC000662835401 461387180 /nfs/dbraw/zinc/38/71/80/461387180.db2.gz NNGXDYSMIRYDKH-GUDVDZBRSA-N 2 1 335.536 3.197 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CCCc2cnn(C)c2)C1 ZINC000638368305 461390051 /nfs/dbraw/zinc/39/00/51/461390051.db2.gz VLTUTSPCPFYIMZ-GOSISDBHSA-N 2 1 340.515 3.374 20 0 EGADMP COc1ccc(C(C)(C)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655725862 461395468 /nfs/dbraw/zinc/39/54/68/461395468.db2.gz ZSFIMPIBLJDNNW-HXUWFJFHSA-N 2 1 346.515 3.206 20 0 EGADMP CCC(CC)[C@@H](CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)OC ZINC000655734451 461404130 /nfs/dbraw/zinc/40/41/30/461404130.db2.gz INCJKVQBMMRWBX-RTBURBONSA-N 2 1 326.525 3.061 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631041085 461494243 /nfs/dbraw/zinc/49/42/43/461494243.db2.gz ITPPLJLIIHFXPX-MRXNPFEDSA-N 2 1 325.456 3.451 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000653108151 461505066 /nfs/dbraw/zinc/50/50/66/461505066.db2.gz KPPXLVLCMHRHLW-AEFFLSMTSA-N 2 1 329.488 3.389 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[NH2+]CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000653113032 461506095 /nfs/dbraw/zinc/50/60/95/461506095.db2.gz QLPCBJKMYUOQMY-DFQSSKMNSA-N 2 1 343.515 3.060 20 0 EGADMP O[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638678734 461531449 /nfs/dbraw/zinc/53/14/49/461531449.db2.gz PDBHCGGCOIHLHO-YRLHULLVSA-N 2 1 328.500 3.495 20 0 EGADMP O[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638678734 461531455 /nfs/dbraw/zinc/53/14/55/461531455.db2.gz PDBHCGGCOIHLHO-YRLHULLVSA-N 2 1 328.500 3.495 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653168947 461533785 /nfs/dbraw/zinc/53/37/85/461533785.db2.gz UYTBAADWQVRFDA-UXPWSPDFSA-N 2 1 347.547 3.020 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000653201003 461555348 /nfs/dbraw/zinc/55/53/48/461555348.db2.gz WVQBUCQXOKILIE-PXNSSMCTSA-N 2 1 345.531 3.483 20 0 EGADMP Clc1ccc2ncc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)n2c1 ZINC000663344549 461570324 /nfs/dbraw/zinc/57/03/24/461570324.db2.gz AKRLGMVAVSAWPK-HNNXBMFYSA-N 2 1 332.879 3.199 20 0 EGADMP Clc1ccc2ncc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)n2c1 ZINC000663344549 461570332 /nfs/dbraw/zinc/57/03/32/461570332.db2.gz AKRLGMVAVSAWPK-HNNXBMFYSA-N 2 1 332.879 3.199 20 0 EGADMP c1ccc(N2CCC([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000663343930 461571729 /nfs/dbraw/zinc/57/17/29/461571729.db2.gz KBOZMOCOUPXKCI-LJQANCHMSA-N 2 1 327.516 3.367 20 0 EGADMP c1nc([C@H]2CCCO2)sc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345634 461573019 /nfs/dbraw/zinc/57/30/19/461573019.db2.gz MFBRCMMCDGYTDC-DOTOQJQBSA-N 2 1 335.517 3.206 20 0 EGADMP c1nc([C@H]2CCCO2)sc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345634 461573026 /nfs/dbraw/zinc/57/30/26/461573026.db2.gz MFBRCMMCDGYTDC-DOTOQJQBSA-N 2 1 335.517 3.206 20 0 EGADMP COc1nc2ccccc2cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345621 461573262 /nfs/dbraw/zinc/57/32/62/461573262.db2.gz LZSFJZVDNCUPSO-KRWDZBQOSA-N 2 1 339.483 3.455 20 0 EGADMP COc1nc2ccccc2cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345621 461573266 /nfs/dbraw/zinc/57/32/66/461573266.db2.gz LZSFJZVDNCUPSO-KRWDZBQOSA-N 2 1 339.483 3.455 20 0 EGADMP CC(C)c1cccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000660141989 461606487 /nfs/dbraw/zinc/60/64/87/461606487.db2.gz ZTIWXMYEZHICAD-OAQYLSRUSA-N 2 1 329.532 3.410 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H](CC(C)C)c2ccc(OC)cc2)CC1 ZINC000647284914 461612646 /nfs/dbraw/zinc/61/26/46/461612646.db2.gz RXWZXRXMEUGGOS-FQEVSTJZSA-N 2 1 334.504 3.483 20 0 EGADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663469580 461660115 /nfs/dbraw/zinc/66/01/15/461660115.db2.gz QPPSKOCYNGQDIH-WBVHZDCISA-N 2 1 332.488 3.476 20 0 EGADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663469580 461660120 /nfs/dbraw/zinc/66/01/20/461660120.db2.gz QPPSKOCYNGQDIH-WBVHZDCISA-N 2 1 332.488 3.476 20 0 EGADMP Fc1ccc2c(c1)[nH+]ccc2N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000656230462 461660426 /nfs/dbraw/zinc/66/04/26/461660426.db2.gz ABQMGKVDLRFUNZ-INIZCTEOSA-N 2 1 329.419 3.065 20 0 EGADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663472193 461662637 /nfs/dbraw/zinc/66/26/37/461662637.db2.gz ZKJLNARUFNQDGR-IEBWSBKVSA-N 2 1 346.515 3.484 20 0 EGADMP Cc1cc(CO)cc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)[nH+]1 ZINC000663483744 461668786 /nfs/dbraw/zinc/66/87/86/461668786.db2.gz SSIONZHRZCHKTE-OAHLLOKOSA-N 2 1 331.485 3.268 20 0 EGADMP Cc1cc(CO)cc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)[nH+]1 ZINC000663483744 461668794 /nfs/dbraw/zinc/66/87/94/461668794.db2.gz SSIONZHRZCHKTE-OAHLLOKOSA-N 2 1 331.485 3.268 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C2(CCC2)C1 ZINC000643296198 461671095 /nfs/dbraw/zinc/67/10/95/461671095.db2.gz GMUQUZZQPJBMKN-LJQANCHMSA-N 2 1 344.499 3.041 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc([C@H](C)[NH3+])cc3)C2)cc1 ZINC000639001854 461674464 /nfs/dbraw/zinc/67/44/64/461674464.db2.gz POVQSUPKJJMIGB-OXJNMPFZSA-N 2 1 337.467 3.019 20 0 EGADMP FC(F)(F)COc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647483043 461731237 /nfs/dbraw/zinc/73/12/37/461731237.db2.gz UEPWVAYTIJWLSP-UHFFFAOYSA-N 2 1 328.378 3.344 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(N2CCCC2)n1 ZINC000643471240 461739038 /nfs/dbraw/zinc/73/90/38/461739038.db2.gz IGHLFPYQFVWHMY-GBESFXJTSA-N 2 1 328.504 3.001 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000643480242 461741441 /nfs/dbraw/zinc/74/14/41/461741441.db2.gz KMXHTYNCVIKFHP-BQJUDKOJSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CCC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000643480242 461741448 /nfs/dbraw/zinc/74/14/48/461741448.db2.gz KMXHTYNCVIKFHP-BQJUDKOJSA-N 2 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CCC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000643480242 461741456 /nfs/dbraw/zinc/74/14/56/461741456.db2.gz KMXHTYNCVIKFHP-BQJUDKOJSA-N 2 1 327.516 3.019 20 0 EGADMP c1cn2c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c(C3CC3)nc2s1 ZINC000647543205 461756921 /nfs/dbraw/zinc/75/69/21/461756921.db2.gz JHQLLLHZLFVLRQ-CVEARBPZSA-N 2 1 344.528 3.485 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC23CC[NH2+]CC3)CC1 ZINC000643536815 461757371 /nfs/dbraw/zinc/75/73/71/461757371.db2.gz WBBCEPGJEPPMTI-MHJFOBGBSA-N 3 1 327.516 3.161 20 0 EGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542776 461757605 /nfs/dbraw/zinc/75/76/05/461757605.db2.gz BPYOAYGTFBWMMR-ZWKOTPCHSA-N 2 1 332.536 3.467 20 0 EGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000647543728 461760175 /nfs/dbraw/zinc/76/01/75/461760175.db2.gz RMJCZYIJVSNBSN-JKSUJKDBSA-N 2 1 328.460 3.190 20 0 EGADMP Cc1cccc2nc(CC[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)cn21 ZINC000647553494 461763768 /nfs/dbraw/zinc/76/37/68/461763768.db2.gz BGJAJWBSULHZCE-UYAOXDASSA-N 2 1 334.467 3.268 20 0 EGADMP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000666856355 461837469 /nfs/dbraw/zinc/83/74/69/461837469.db2.gz CNCKHPIJHZZCKH-SJORKVTESA-N 2 1 338.879 3.130 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000656696926 461846393 /nfs/dbraw/zinc/84/63/93/461846393.db2.gz LEIIAFHNTZRVPU-QGZVFWFLSA-N 2 1 347.478 3.188 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000656696926 461846400 /nfs/dbraw/zinc/84/64/00/461846400.db2.gz LEIIAFHNTZRVPU-QGZVFWFLSA-N 2 1 347.478 3.188 20 0 EGADMP O=C(CC[N@@H+](C1CC1)C1CC[NH2+]CC1)Nc1cccc2ccccc21 ZINC000647814658 461849525 /nfs/dbraw/zinc/84/95/25/461849525.db2.gz YCFVCNQYJVXKTC-UHFFFAOYSA-N 2 1 337.467 3.385 20 0 EGADMP CC(C)Cc1ccc(C(=O)C2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000647880359 461868649 /nfs/dbraw/zinc/86/86/49/461868649.db2.gz LQCLOWMFJPTMQY-SFHVURJKSA-N 2 1 328.500 3.389 20 0 EGADMP COCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000647879573 461869213 /nfs/dbraw/zinc/86/92/13/461869213.db2.gz RJQQGJAIRRDAFK-UONOGXRCSA-N 2 1 330.394 3.324 20 0 EGADMP COc1cccc(C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H]2CCCO2)c1 ZINC000647882060 461869650 /nfs/dbraw/zinc/86/96/50/461869650.db2.gz HGGNDZIQQPKYRJ-OAQYLSRUSA-N 2 1 346.515 3.456 20 0 EGADMP COc1ccc(C[NH+](Cc2ccc(OC)cc2)C[C@H]2CC[NH2+]C2)cc1 ZINC000647884507 461870898 /nfs/dbraw/zinc/87/08/98/461870898.db2.gz XHEVXDWWRLJALV-IBGZPJMESA-N 2 1 340.467 3.316 20 0 EGADMP CO[C@](C)(C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1)C1CC1 ZINC000647912363 461882911 /nfs/dbraw/zinc/88/29/11/461882911.db2.gz FXNOPMSLIJODRK-VQTJNVASSA-N 2 1 331.504 3.183 20 0 EGADMP CO[C@](C)(C[N@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1)C1CC1 ZINC000647912363 461882917 /nfs/dbraw/zinc/88/29/17/461882917.db2.gz FXNOPMSLIJODRK-VQTJNVASSA-N 2 1 331.504 3.183 20 0 EGADMP CO[C@](C)(C[NH+]1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1)C1CC1 ZINC000647912363 461882923 /nfs/dbraw/zinc/88/29/23/461882923.db2.gz FXNOPMSLIJODRK-VQTJNVASSA-N 2 1 331.504 3.183 20 0 EGADMP CO[C@](C)(C[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1)C1CC1 ZINC000647912363 461882928 /nfs/dbraw/zinc/88/29/28/461882928.db2.gz FXNOPMSLIJODRK-VQTJNVASSA-N 2 1 331.504 3.183 20 0 EGADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000647936650 461893754 /nfs/dbraw/zinc/89/37/54/461893754.db2.gz JDBNPGPQANQPTD-SWLSCSKDSA-N 2 1 343.393 3.093 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)o1 ZINC000656784011 461894055 /nfs/dbraw/zinc/89/40/55/461894055.db2.gz XJUPVOXCGWEXNI-QGZVFWFLSA-N 2 1 342.487 3.200 20 0 EGADMP CC(C)COc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650706068 461900324 /nfs/dbraw/zinc/90/03/24/461900324.db2.gz CUWXSIGIAUQVQD-IRFCIJBXSA-N 2 1 346.515 3.440 20 0 EGADMP Cc1ccc2cc(C[N@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)ccc2n1 ZINC000650707311 461901002 /nfs/dbraw/zinc/90/10/02/461901002.db2.gz CRLCOIWORFIVNU-ZVDOUQERSA-N 2 1 339.483 3.262 20 0 EGADMP Clc1ccc(-n2cc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)cn2)cc1 ZINC000666998312 461905556 /nfs/dbraw/zinc/90/55/56/461905556.db2.gz NJIFKJJCXZYARM-MRXNPFEDSA-N 2 1 330.863 3.290 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)ccc1OC(F)F ZINC000666999393 461906014 /nfs/dbraw/zinc/90/60/14/461906014.db2.gz BRKRXOFVDXDDKV-CQSZACIVSA-N 2 1 340.414 3.451 20 0 EGADMP C[C@@H](c1nc(-c2ccccc2)no1)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654994 461906297 /nfs/dbraw/zinc/90/62/97/461906297.db2.gz JXLQMSBCMFIGPQ-KXBFYZLASA-N 2 1 326.444 3.215 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2F)C1 ZINC000650717613 461909699 /nfs/dbraw/zinc/90/96/99/461909699.db2.gz HEUHHGCCDDJFAH-KXBFYZLASA-N 2 1 327.447 3.210 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(OC(F)F)cc2)C1 ZINC000650721863 461912857 /nfs/dbraw/zinc/91/28/57/461912857.db2.gz DLWAXDSPOALXDJ-HYVNUMGLSA-N 2 1 340.414 3.149 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cnc3ccccc3c2)C1 ZINC000650723462 461915212 /nfs/dbraw/zinc/91/52/12/461915212.db2.gz OKBBZXQUAGOSRQ-YZGWKJHDSA-N 2 1 325.456 3.096 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2F)C1 ZINC000650723641 461915967 /nfs/dbraw/zinc/91/59/67/461915967.db2.gz RHQBFKAQCMJNHP-OIISXLGYSA-N 2 1 326.843 3.340 20 0 EGADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975429 461916621 /nfs/dbraw/zinc/91/66/21/461916621.db2.gz AFWQPZAKEKZRSG-RCCFBDPRSA-N 2 1 329.488 3.034 20 0 EGADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647974966 461916901 /nfs/dbraw/zinc/91/69/01/461916901.db2.gz DRDZJZMQNOKIGO-BZUAXINKSA-N 2 1 349.906 3.379 20 0 EGADMP c1csc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647976751 461919477 /nfs/dbraw/zinc/91/94/77/461919477.db2.gz SZVPSVATACJKMM-ZIAGYGMSSA-N 2 1 332.473 3.010 20 0 EGADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977949 461920779 /nfs/dbraw/zinc/92/07/79/461920779.db2.gz KCLLBRAVDFGTHI-UHOSZYNNSA-N 2 1 343.515 3.288 20 0 EGADMP C[C@H](NCc1ccc(C[NH3+])cc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000650753311 461935170 /nfs/dbraw/zinc/93/51/70/461935170.db2.gz LBNRFCLQZJKBCN-HNNXBMFYSA-N 2 1 345.462 3.076 20 0 EGADMP Fc1ccc(COc2cccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)c2)c(F)c1 ZINC000648014256 461942861 /nfs/dbraw/zinc/94/28/61/461942861.db2.gz KGDURSCGKPXOFY-IAGOWNOFSA-N 2 1 344.405 3.195 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](CCc4cnccn4)CC[C@@H]32)cc1 ZINC000639518384 461966967 /nfs/dbraw/zinc/96/69/67/461966967.db2.gz GHLNFCBHZNZETE-FPOVZHCZSA-N 2 1 336.483 3.006 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CCc4cnccn4)CC[C@@H]32)cc1 ZINC000639518384 461966969 /nfs/dbraw/zinc/96/69/69/461966969.db2.gz GHLNFCBHZNZETE-FPOVZHCZSA-N 2 1 336.483 3.006 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CCc4cnccn4)CC[C@@H]32)cc1 ZINC000639518384 461966975 /nfs/dbraw/zinc/96/69/75/461966975.db2.gz GHLNFCBHZNZETE-FPOVZHCZSA-N 2 1 336.483 3.006 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CCc4cnccn4)CC[C@@H]32)cc1 ZINC000639518384 461966977 /nfs/dbraw/zinc/96/69/77/461966977.db2.gz GHLNFCBHZNZETE-FPOVZHCZSA-N 2 1 336.483 3.006 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC2(CCC2)O1 ZINC000648074272 461969580 /nfs/dbraw/zinc/96/95/80/461969580.db2.gz JGKSCPDGMCJESG-GOSISDBHSA-N 2 1 344.499 3.305 20 0 EGADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)s1 ZINC000644571546 461991360 /nfs/dbraw/zinc/99/13/60/461991360.db2.gz DLEKCIMCGAKUFC-QAPCUYQASA-N 2 1 332.513 3.070 20 0 EGADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000644571546 461991365 /nfs/dbraw/zinc/99/13/65/461991365.db2.gz DLEKCIMCGAKUFC-QAPCUYQASA-N 2 1 332.513 3.070 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000639592870 462008929 /nfs/dbraw/zinc/00/89/29/462008929.db2.gz QFAYHKQMPVKKAX-KRWDZBQOSA-N 2 1 337.471 3.115 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000639592870 462008935 /nfs/dbraw/zinc/00/89/35/462008935.db2.gz QFAYHKQMPVKKAX-KRWDZBQOSA-N 2 1 337.471 3.115 20 0 EGADMP Cc1c[nH]c(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)n1 ZINC000657313548 462038086 /nfs/dbraw/zinc/03/80/86/462038086.db2.gz JRLBLPDNDKKQDM-HOTGVXAUSA-N 2 1 326.488 3.486 20 0 EGADMP c1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n(CC2CC2)n1 ZINC000657334509 462052391 /nfs/dbraw/zinc/05/23/91/462052391.db2.gz CAAHBTVTRVUWRC-FQEVSTJZSA-N 2 1 338.499 3.295 20 0 EGADMP c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n(CC2CC2)n1 ZINC000657334509 462052401 /nfs/dbraw/zinc/05/24/01/462052401.db2.gz CAAHBTVTRVUWRC-FQEVSTJZSA-N 2 1 338.499 3.295 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657348115 462062496 /nfs/dbraw/zinc/06/24/96/462062496.db2.gz KXFXMQCJPISSBE-ICSRJNTNSA-N 2 1 332.488 3.064 20 0 EGADMP CCC(CC)n1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639704333 462067267 /nfs/dbraw/zinc/06/72/67/462067267.db2.gz RBUJWTQZJAGKLF-UHFFFAOYSA-N 2 1 327.476 3.352 20 0 EGADMP CCC(CC)n1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639704333 462067274 /nfs/dbraw/zinc/06/72/74/462067274.db2.gz RBUJWTQZJAGKLF-UHFFFAOYSA-N 2 1 327.476 3.352 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1NCc1c[nH+]c2n1CCC2 ZINC000657404759 462101351 /nfs/dbraw/zinc/10/13/51/462101351.db2.gz VTVQCPNCUZBMRC-UHFFFAOYSA-N 2 1 328.460 3.162 20 0 EGADMP CC[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CCO1 ZINC000648445343 462122205 /nfs/dbraw/zinc/12/22/05/462122205.db2.gz HQBQROMSESYFBT-ROUUACIJSA-N 2 1 335.492 3.051 20 0 EGADMP c1cc(NCC2CC[NH+](CC3CC3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000664647845 462138447 /nfs/dbraw/zinc/13/84/47/462138447.db2.gz WIADJRWCOPEPJS-UHFFFAOYSA-N 2 1 329.492 3.001 20 0 EGADMP Cc1cccc2[nH]c(C[N@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cc21 ZINC000667608530 462171438 /nfs/dbraw/zinc/17/14/38/462171438.db2.gz JGAUDIAWSPHZMC-INIZCTEOSA-N 2 1 329.488 3.001 20 0 EGADMP CCc1cccc2cc(C[NH+]3CCN([C@H]4CCC[N@H+](C)C4)CC3)oc21 ZINC000667614967 462174518 /nfs/dbraw/zinc/17/45/18/462174518.db2.gz CMZXOECGBCOUJN-IBGZPJMESA-N 2 1 341.499 3.207 20 0 EGADMP CCc1cccc2cc(C[NH+]3CCN([C@H]4CCC[N@@H+](C)C4)CC3)oc21 ZINC000667614967 462174525 /nfs/dbraw/zinc/17/45/25/462174525.db2.gz CMZXOECGBCOUJN-IBGZPJMESA-N 2 1 341.499 3.207 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccncn1 ZINC000651324301 462179993 /nfs/dbraw/zinc/17/99/93/462179993.db2.gz ZBRRKLHQLSZEKQ-GZMOKQHVSA-N 2 1 336.483 3.428 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccncn1 ZINC000651324301 462180002 /nfs/dbraw/zinc/18/00/02/462180002.db2.gz ZBRRKLHQLSZEKQ-GZMOKQHVSA-N 2 1 336.483 3.428 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3cccs3)CC2)CC1 ZINC000654391841 462202754 /nfs/dbraw/zinc/20/27/54/462202754.db2.gz DCGPTGGLFGDJJI-HNNXBMFYSA-N 2 1 349.544 3.122 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000667673007 462205941 /nfs/dbraw/zinc/20/59/41/462205941.db2.gz NAYGIAJKUYRWKP-IEBWSBKVSA-N 2 1 334.504 3.264 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000667673007 462205946 /nfs/dbraw/zinc/20/59/46/462205946.db2.gz NAYGIAJKUYRWKP-IEBWSBKVSA-N 2 1 334.504 3.264 20 0 EGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667681435 462211788 /nfs/dbraw/zinc/21/17/88/462211788.db2.gz JHGGPCJDMFRAOE-TZIWHRDSSA-N 2 1 344.499 3.018 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667681435 462211794 /nfs/dbraw/zinc/21/17/94/462211794.db2.gz JHGGPCJDMFRAOE-TZIWHRDSSA-N 2 1 344.499 3.018 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667681435 462211799 /nfs/dbraw/zinc/21/17/99/462211799.db2.gz JHGGPCJDMFRAOE-TZIWHRDSSA-N 2 1 344.499 3.018 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667681435 462211804 /nfs/dbraw/zinc/21/18/04/462211804.db2.gz JHGGPCJDMFRAOE-TZIWHRDSSA-N 2 1 344.499 3.018 20 0 EGADMP CCN(Cc1c[nH+]c(C)n1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667683956 462213242 /nfs/dbraw/zinc/21/32/42/462213242.db2.gz GMWITUJYXOUBEV-IBGZPJMESA-N 2 1 326.488 3.073 20 0 EGADMP CCN(Cc1c[nH+]c(C)n1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667683956 462213248 /nfs/dbraw/zinc/21/32/48/462213248.db2.gz GMWITUJYXOUBEV-IBGZPJMESA-N 2 1 326.488 3.073 20 0 EGADMP Fc1ccc2c(c1)OC[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000657674327 462225304 /nfs/dbraw/zinc/22/53/04/462225304.db2.gz VRJJWHPZDLZFEV-FQEVSTJZSA-N 2 1 340.442 3.383 20 0 EGADMP Clc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ncccc12 ZINC000657751626 462252276 /nfs/dbraw/zinc/25/22/76/462252276.db2.gz SWYGOEPEFIADQZ-MRXNPFEDSA-N 2 1 345.874 3.231 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000648779084 462275145 /nfs/dbraw/zinc/27/51/45/462275145.db2.gz ZKRIFSPAPZOGQL-IRXDYDNUSA-N 2 1 342.487 3.033 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000648779084 462275147 /nfs/dbraw/zinc/27/51/47/462275147.db2.gz ZKRIFSPAPZOGQL-IRXDYDNUSA-N 2 1 342.487 3.033 20 0 EGADMP CCCC[N@H+](C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000648782165 462275441 /nfs/dbraw/zinc/27/54/41/462275441.db2.gz VTCURKUUWRFQBI-QGZVFWFLSA-N 2 1 348.535 3.367 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000648782165 462275449 /nfs/dbraw/zinc/27/54/49/462275449.db2.gz VTCURKUUWRFQBI-QGZVFWFLSA-N 2 1 348.535 3.367 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000651647144 462287679 /nfs/dbraw/zinc/28/76/79/462287679.db2.gz CIRRLWACZAAZSM-UHFFFAOYSA-N 2 1 345.487 3.398 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCn3nccc32)cc1F ZINC000657852585 462296122 /nfs/dbraw/zinc/29/61/22/462296122.db2.gz VQKKJOMLXCGKLG-MRXNPFEDSA-N 2 1 325.391 3.141 20 0 EGADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H]3CCCn4nccc43)C2)c1 ZINC000657861129 462300189 /nfs/dbraw/zinc/30/01/89/462300189.db2.gz PHCCDPLTGMNZAY-DOTOQJQBSA-N 2 1 330.501 3.281 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3CCCn4nccc43)C2)c1 ZINC000657861129 462300195 /nfs/dbraw/zinc/30/01/95/462300195.db2.gz PHCCDPLTGMNZAY-DOTOQJQBSA-N 2 1 330.501 3.281 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657867530 462303499 /nfs/dbraw/zinc/30/34/99/462303499.db2.gz TXOXGEIHMQSAGW-ZDUSSCGKSA-N 2 1 327.419 3.171 20 0 EGADMP OCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2c2ccccc2Cl)CC1 ZINC000657942942 462324524 /nfs/dbraw/zinc/32/45/24/462324524.db2.gz GHYUXILKBWIBDT-IEBWSBKVSA-N 2 1 336.907 3.413 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000658092966 462379975 /nfs/dbraw/zinc/37/99/75/462379975.db2.gz SOVIMQTYJRLPPY-MISYRCLQSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092966 462379981 /nfs/dbraw/zinc/37/99/81/462379981.db2.gz SOVIMQTYJRLPPY-MISYRCLQSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092966 462379986 /nfs/dbraw/zinc/37/99/86/462379986.db2.gz SOVIMQTYJRLPPY-MISYRCLQSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)N(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649064864 462396330 /nfs/dbraw/zinc/39/63/30/462396330.db2.gz CUXGNMHPSWOHSP-HXUWFJFHSA-N 2 1 345.531 3.230 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1[NH2+]CC1(C)C)C1CCCCC1 ZINC000649276921 462465911 /nfs/dbraw/zinc/46/59/11/462465911.db2.gz SOXCBWZXMCVQQE-GOSISDBHSA-N 2 1 329.488 3.388 20 0 EGADMP O[C@@H]1CC[N@H+](C2CC[NH+](CC3CCC(c4ccccc4)CC3)CC2)C1 ZINC000662150917 462531890 /nfs/dbraw/zinc/53/18/90/462531890.db2.gz CBHHHDQKXUNTNA-ZOGYUUGASA-N 2 1 342.527 3.491 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1OC(F)F ZINC000178638115 533825733 /nfs/dbraw/zinc/82/57/33/533825733.db2.gz YVUHMDZHJMOBLP-GJZGRUSLSA-N 2 1 340.414 3.213 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1OC(F)F ZINC000178638115 533825740 /nfs/dbraw/zinc/82/57/40/533825740.db2.gz YVUHMDZHJMOBLP-GJZGRUSLSA-N 2 1 340.414 3.213 20 0 EGADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OC(F)F ZINC000178638115 533825746 /nfs/dbraw/zinc/82/57/46/533825746.db2.gz YVUHMDZHJMOBLP-GJZGRUSLSA-N 2 1 340.414 3.213 20 0 EGADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OC(F)F ZINC000178638115 533825753 /nfs/dbraw/zinc/82/57/53/533825753.db2.gz YVUHMDZHJMOBLP-GJZGRUSLSA-N 2 1 340.414 3.213 20 0 EGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000180987135 534397981 /nfs/dbraw/zinc/39/79/81/534397981.db2.gz MNEXMRPCBJPBEU-HXUWFJFHSA-N 2 1 349.478 3.414 20 0 EGADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132833344 534428936 /nfs/dbraw/zinc/42/89/36/534428936.db2.gz JDXUKGHBLQQVCD-FXAWDEMLSA-N 2 1 344.499 3.299 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000177969155 534448203 /nfs/dbraw/zinc/44/82/03/534448203.db2.gz OCIXGJFOVCRRSQ-LQWHRVPQSA-N 2 1 329.532 3.012 20 0 EGADMP CC(=O)c1ccc(NC(=O)CC[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000264184956 534857218 /nfs/dbraw/zinc/85/72/18/534857218.db2.gz CRICJMUCOAAUDW-UHFFFAOYSA-N 2 1 345.487 3.022 20 0 EGADMP CC(C)[C@@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163948966 528420156 /nfs/dbraw/zinc/42/01/56/528420156.db2.gz SJYKIRWANNXXAX-QGZVFWFLSA-N 2 1 334.504 3.310 20 0 EGADMP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000175164339 528806203 /nfs/dbraw/zinc/80/62/03/528806203.db2.gz YVGKJBDKKFCURX-SFHVURJKSA-N 2 1 345.531 3.086 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000191517988 528862395 /nfs/dbraw/zinc/86/23/95/528862395.db2.gz SERBJWBORBYIDD-UHFFFAOYSA-N 2 1 342.487 3.413 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000191517988 528862402 /nfs/dbraw/zinc/86/24/02/528862402.db2.gz SERBJWBORBYIDD-UHFFFAOYSA-N 2 1 342.487 3.413 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000154502411 529143687 /nfs/dbraw/zinc/14/36/87/529143687.db2.gz OQJOZVSBSMIVDA-OAHLLOKOSA-N 2 1 325.447 3.033 20 0 EGADMP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1noc(Cc2ccccc2)n1 ZINC000165461910 546985574 /nfs/dbraw/zinc/98/55/74/546985574.db2.gz LASMCJCAAAAXLI-HUUCEWRRSA-N 2 1 328.460 3.041 20 0 EGADMP Cc1ccccc1C[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166204166 546987227 /nfs/dbraw/zinc/98/72/27/546987227.db2.gz WCEIEVVERXXTSA-LEWJYISDSA-N 3 1 327.516 3.176 20 0 EGADMP Cc1ccccc1CN1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166204166 546987232 /nfs/dbraw/zinc/98/72/32/546987232.db2.gz WCEIEVVERXXTSA-LEWJYISDSA-N 2 1 327.516 3.176 20 0 EGADMP Cc1ccccc1CN1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166204166 546987233 /nfs/dbraw/zinc/98/72/33/546987233.db2.gz WCEIEVVERXXTSA-LEWJYISDSA-N 2 1 327.516 3.176 20 0 EGADMP Fc1ccc(CN2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1F ZINC000166229264 546987378 /nfs/dbraw/zinc/98/73/78/546987378.db2.gz YCLOPBQBKKIVPO-ZWKOTPCHSA-N 2 1 349.469 3.146 20 0 EGADMP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166818449 546989813 /nfs/dbraw/zinc/98/98/13/546989813.db2.gz NMHZYSYXFWQRRK-RTBURBONSA-N 2 1 332.488 3.127 20 0 EGADMP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166818449 546989816 /nfs/dbraw/zinc/98/98/16/546989816.db2.gz NMHZYSYXFWQRRK-RTBURBONSA-N 2 1 332.488 3.127 20 0 EGADMP Cc1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)[NH+]2CCCC2)cc1 ZINC000339066900 547568808 /nfs/dbraw/zinc/56/88/08/547568808.db2.gz JABLVGHPNQXDAB-HKBOAZHASA-N 2 1 327.516 3.348 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339066403 547568998 /nfs/dbraw/zinc/56/89/98/547568998.db2.gz CAZUOKRYFYNSDZ-MOPGFXCFSA-N 2 1 332.488 3.127 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339066403 547569002 /nfs/dbraw/zinc/56/90/02/547569002.db2.gz CAZUOKRYFYNSDZ-MOPGFXCFSA-N 2 1 332.488 3.127 20 0 EGADMP CC[NH+](CC)Cc1ccc(CNC(=O)CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000339240177 547571878 /nfs/dbraw/zinc/57/18/78/547571878.db2.gz ONGHNUVVUKTWGX-SFHVURJKSA-N 2 1 345.531 3.409 20 0 EGADMP Cc1ccc([C@@H](CNC(=O)CC[N@@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)o1 ZINC000339253879 547572981 /nfs/dbraw/zinc/57/29/81/547572981.db2.gz FLYNXPRFRYCAOS-FUHWJXTLSA-N 2 1 347.503 3.106 20 0 EGADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)CC[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000339248781 547573000 /nfs/dbraw/zinc/57/30/00/547573000.db2.gz BEDYQIIZZIYDGU-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CO[C@@]1(C)CCC[NH+](CCC[N@@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000366491699 547782797 /nfs/dbraw/zinc/78/27/97/547782797.db2.gz SOYMAYJMMITEOS-OALUTQOASA-N 2 1 326.525 3.159 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2scnc2C2CC2)[C@H](C)C1 ZINC000487273943 547972753 /nfs/dbraw/zinc/97/27/53/547972753.db2.gz NWEJDGGCZIFNQA-ZBFHGGJFSA-N 2 1 337.533 3.247 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2scnc2C2CC2)[C@H](C)C1 ZINC000487273943 547972756 /nfs/dbraw/zinc/97/27/56/547972756.db2.gz NWEJDGGCZIFNQA-ZBFHGGJFSA-N 2 1 337.533 3.247 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H](O)C(F)(F)F ZINC000671125887 548250844 /nfs/dbraw/zinc/25/08/44/548250844.db2.gz ITKNSRLZRHTCKS-IRXDYDNUSA-N 2 1 344.421 3.188 20 0 EGADMP CN(CCC[N@@H+](C)Cc1ccco1)c1cc[nH+]c2c(O)cccc12 ZINC000672338370 548426753 /nfs/dbraw/zinc/42/67/53/548426753.db2.gz HLJGLUJYPYXFIU-UHFFFAOYSA-N 2 1 325.412 3.492 20 0 EGADMP O[C@@]1(CNCc2ccccc2C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000674336071 548726839 /nfs/dbraw/zinc/72/68/39/548726839.db2.gz XWERVYZBLYGCKJ-JOCHJYFZSA-N 2 1 336.479 3.291 20 0 EGADMP O[C@@]1(CNCc2ccccc2C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000674336071 548726844 /nfs/dbraw/zinc/72/68/44/548726844.db2.gz XWERVYZBLYGCKJ-JOCHJYFZSA-N 2 1 336.479 3.291 20 0 EGADMP O[C@@]1(C[NH2+]Cc2ccccc2C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000674336071 548726849 /nfs/dbraw/zinc/72/68/49/548726849.db2.gz XWERVYZBLYGCKJ-JOCHJYFZSA-N 2 1 336.479 3.291 20 0 EGADMP O[C@@]1(C[NH2+]Cc2ccccc2C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000674336071 548726854 /nfs/dbraw/zinc/72/68/54/548726854.db2.gz XWERVYZBLYGCKJ-JOCHJYFZSA-N 2 1 336.479 3.291 20 0 EGADMP C([NH+]1CCC[C@H](C2CC2)C1)C1(C[N@H+]2CCC[C@H](C3CC3)C2)COC1 ZINC000677040852 549197199 /nfs/dbraw/zinc/19/71/99/549197199.db2.gz ZJKHVDHEFCSTHB-PMACEKPBSA-N 2 1 332.532 3.247 20 0 EGADMP FC(F)(F)Oc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677236859 549234841 /nfs/dbraw/zinc/23/48/41/549234841.db2.gz KHRHDFADQJRUPJ-CABCVRRESA-N 2 1 328.378 3.344 20 0 EGADMP COc1cc(C)[nH+]c(CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000677441345 549272008 /nfs/dbraw/zinc/27/20/08/549272008.db2.gz OMHDVTCVIBWWFM-LJQANCHMSA-N 2 1 325.456 3.105 20 0 EGADMP COc1cc(C)[nH+]c(CN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000677441345 549272013 /nfs/dbraw/zinc/27/20/13/549272013.db2.gz OMHDVTCVIBWWFM-LJQANCHMSA-N 2 1 325.456 3.105 20 0 EGADMP CCC[N@H+]1CC[C@@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677748457 549325139 /nfs/dbraw/zinc/32/51/39/549325139.db2.gz NXVLDNXUUXXUSU-PMACEKPBSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@@H](CN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677748457 549325142 /nfs/dbraw/zinc/32/51/42/549325142.db2.gz NXVLDNXUUXXUSU-PMACEKPBSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@@H](CN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677748457 549325145 /nfs/dbraw/zinc/32/51/45/549325145.db2.gz NXVLDNXUUXXUSU-PMACEKPBSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000677748457 549325149 /nfs/dbraw/zinc/32/51/49/549325149.db2.gz NXVLDNXUUXXUSU-PMACEKPBSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000677748457 549325152 /nfs/dbraw/zinc/32/51/52/549325152.db2.gz NXVLDNXUUXXUSU-PMACEKPBSA-N 2 1 329.532 3.361 20 0 EGADMP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678122389 549402069 /nfs/dbraw/zinc/40/20/69/549402069.db2.gz MZRWFJQRWYNJTM-HKUYNNGSSA-N 2 1 332.488 3.161 20 0 EGADMP C[C@H]1[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCOC1(C)C ZINC000678271152 549453693 /nfs/dbraw/zinc/45/36/93/549453693.db2.gz PDYXHZFRRYFWDC-QGZVFWFLSA-N 2 1 332.488 3.161 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)c2ccccc21 ZINC000678608510 549530355 /nfs/dbraw/zinc/53/03/55/549530355.db2.gz PRECTRHBYLISJR-HXUWFJFHSA-N 2 1 341.499 3.481 20 0 EGADMP CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000678802837 549564512 /nfs/dbraw/zinc/56/45/12/549564512.db2.gz CWCRZSPHBPERRY-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H]1CCSCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000683001926 550176912 /nfs/dbraw/zinc/17/69/12/550176912.db2.gz ZSJXGVMFMSSICR-KRWDZBQOSA-N 2 1 334.529 3.489 20 0 EGADMP CO[C@@]1(C)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000684411083 550326656 /nfs/dbraw/zinc/32/66/56/550326656.db2.gz FRQQDLLFOZYMND-FQEVSTJZSA-N 2 1 332.488 3.162 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)[C@@H](C)C1 ZINC000221892763 564036514 /nfs/dbraw/zinc/03/65/14/564036514.db2.gz YARCBWICIVYVGR-LPHOPBHVSA-N 2 1 334.479 3.194 20 0 EGADMP CCCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000221870316 564036559 /nfs/dbraw/zinc/03/65/59/564036559.db2.gz KVHXHUNSODZNFQ-SQWLQELKSA-N 2 1 338.879 3.307 20 0 EGADMP CCCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000221870316 564036560 /nfs/dbraw/zinc/03/65/60/564036560.db2.gz KVHXHUNSODZNFQ-SQWLQELKSA-N 2 1 338.879 3.307 20 0 EGADMP CC(C)(C)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000729265918 574834803 /nfs/dbraw/zinc/83/48/03/574834803.db2.gz VKFITYCMIXLZOR-SFHVURJKSA-N 2 1 340.471 3.456 20 0 EGADMP CC(C)(C)c1ccc(NC(=O)C[N@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000729265918 574834804 /nfs/dbraw/zinc/83/48/04/574834804.db2.gz VKFITYCMIXLZOR-SFHVURJKSA-N 2 1 340.471 3.456 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000731042560 575046418 /nfs/dbraw/zinc/04/64/18/575046418.db2.gz ZCBDMBKFJDJQRO-OAHLLOKOSA-N 2 1 340.496 3.494 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000741796696 575438661 /nfs/dbraw/zinc/43/86/61/575438661.db2.gz WSCPPIKUCZEUKA-IKGGRYGDSA-N 2 1 339.524 3.048 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000741796696 575438665 /nfs/dbraw/zinc/43/86/65/575438665.db2.gz WSCPPIKUCZEUKA-IKGGRYGDSA-N 2 1 339.524 3.048 20 0 EGADMP COc1cccc2cc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)oc21 ZINC000736357508 575942165 /nfs/dbraw/zinc/94/21/65/575942165.db2.gz KOWOHKWSKGOZGS-HNNXBMFYSA-N 2 1 344.455 3.032 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NCCn2cc[nH+]c2C(C)C)cc1 ZINC000744396081 576827116 /nfs/dbraw/zinc/82/71/16/576827116.db2.gz VAMNPYAICXYGLO-UHFFFAOYSA-N 2 1 342.487 3.278 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C[C@@H](CC(C)C)CC2=O)CC1 ZINC000744434336 576828207 /nfs/dbraw/zinc/82/82/07/576828207.db2.gz LXJAKLZDRDXDDG-IBGZPJMESA-N 2 1 337.552 3.282 20 0 EGADMP CCOc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)ccc1OC(F)F ZINC000060816829 1291943899 /nfs/dbraw/zinc/94/38/99/1291943899.db2.gz XHKFVFFDWWTYCW-UHFFFAOYSA-N 2 1 330.419 3.364 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)c1 ZINC000085312628 1292720053 /nfs/dbraw/zinc/72/00/53/1292720053.db2.gz NFOHPUGIICFTCO-QHCPKHFHSA-N 2 1 330.497 3.166 20 0 EGADMP CC[C@@H]1CN(C(=O)CCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000832008331 1292944566 /nfs/dbraw/zinc/94/45/66/1292944566.db2.gz BBYICRBVGHEDPZ-LJQANCHMSA-N 2 1 331.504 3.019 20 0 EGADMP CC[C@H]1CN(C(=O)CCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000832008330 1292944890 /nfs/dbraw/zinc/94/48/90/1292944890.db2.gz BBYICRBVGHEDPZ-IBGZPJMESA-N 2 1 331.504 3.019 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(Br)nc1 ZINC000834908936 1293173084 /nfs/dbraw/zinc/17/30/84/1293173084.db2.gz MWGQSLYPMNJKPM-LBPRGKRZSA-N 2 1 326.282 3.369 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000118772047 1293243065 /nfs/dbraw/zinc/24/30/65/1293243065.db2.gz SESLRMQSZDJJEG-FQEVSTJZSA-N 2 1 345.531 3.406 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000118772047 1293243074 /nfs/dbraw/zinc/24/30/74/1293243074.db2.gz SESLRMQSZDJJEG-FQEVSTJZSA-N 2 1 345.531 3.406 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000118772047 1293243078 /nfs/dbraw/zinc/24/30/78/1293243078.db2.gz SESLRMQSZDJJEG-FQEVSTJZSA-N 2 1 345.531 3.406 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](CCOC(C)C)CC1)CC2 ZINC000121494065 1293374075 /nfs/dbraw/zinc/37/40/75/1293374075.db2.gz BGMALSFVOKGPCU-HXUWFJFHSA-N 2 1 346.515 3.032 20 0 EGADMP CC[C@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000130507667 1293659539 /nfs/dbraw/zinc/65/95/39/1293659539.db2.gz GDPANAUKEJORPI-QGZVFWFLSA-N 2 1 339.524 3.098 20 0 EGADMP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000151141540 1293910503 /nfs/dbraw/zinc/91/05/03/1293910503.db2.gz FJBQKNQVOMRDDM-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000151141540 1293910512 /nfs/dbraw/zinc/91/05/12/1293910512.db2.gz FJBQKNQVOMRDDM-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1cc2oc(=O)cc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)c2cc1C ZINC000161341248 1294289998 /nfs/dbraw/zinc/28/99/98/1294289998.db2.gz DJEBMCCQVSVUAM-UHFFFAOYSA-N 2 1 349.434 3.127 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000178706021 1294751686 /nfs/dbraw/zinc/75/16/86/1294751686.db2.gz PZLOIBVFFVJLCE-JKSUJKDBSA-N 2 1 340.471 3.305 20 0 EGADMP CC1(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)OCCO1 ZINC000183887245 1295155146 /nfs/dbraw/zinc/15/51/46/1295155146.db2.gz UKKGWCRPBCYURK-HSALFYBXSA-N 2 1 344.499 3.030 20 0 EGADMP C[C@@H]([NH2+]CC1CCC2(CC1)OCCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000190334047 1295583185 /nfs/dbraw/zinc/58/31/85/1295583185.db2.gz RNSZQWQOYKQFAJ-AEFFLSMTSA-N 2 1 336.520 3.162 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cnn(C)c2)C1 ZINC000237686507 1296258930 /nfs/dbraw/zinc/25/89/30/1296258930.db2.gz LEAFTYSSUHIHBE-CALCHBBNSA-N 2 1 326.488 3.188 20 0 EGADMP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261850550 1296604959 /nfs/dbraw/zinc/60/49/59/1296604959.db2.gz ZXGCJXZDXVKBEE-KRWDZBQOSA-N 2 1 335.879 3.051 20 0 EGADMP Fc1ccc(Br)c(F)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261952932 1296610631 /nfs/dbraw/zinc/61/06/31/1296610631.db2.gz GFHRJBALCWGLFU-UHFFFAOYSA-N 2 1 345.231 3.303 20 0 EGADMP Fc1ccc(Br)c(F)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261952932 1296610643 /nfs/dbraw/zinc/61/06/43/1296610643.db2.gz GFHRJBALCWGLFU-UHFFFAOYSA-N 2 1 345.231 3.303 20 0 EGADMP CC[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000872036898 1296686145 /nfs/dbraw/zinc/68/61/45/1296686145.db2.gz WONKBVKXCKOLNK-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(C(F)(F)F)co2)C1 ZINC000872145940 1296767939 /nfs/dbraw/zinc/76/79/39/1296767939.db2.gz ZRNFSOHCMMZDNV-SNPRPXQTSA-N 2 1 332.366 3.159 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(C(F)(F)F)co2)C1 ZINC000872145940 1296767950 /nfs/dbraw/zinc/76/79/50/1296767950.db2.gz ZRNFSOHCMMZDNV-SNPRPXQTSA-N 2 1 332.366 3.159 20 0 EGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](Cc2cc(CO)ccc2F)C1)C1CCCC1 ZINC000872158017 1296775646 /nfs/dbraw/zinc/77/56/46/1296775646.db2.gz RURULJOEWPVHGL-FOIQADDNSA-N 2 1 334.479 3.438 20 0 EGADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3o2)CC1 ZINC000305185981 1296992996 /nfs/dbraw/zinc/99/29/96/1296992996.db2.gz XEFNVXOURGVDOX-OALUTQOASA-N 2 1 328.456 3.290 20 0 EGADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000305378410 1297011924 /nfs/dbraw/zinc/01/19/24/1297011924.db2.gz VTIOCXPLZYKLMC-ROUUACIJSA-N 2 1 340.870 3.337 20 0 EGADMP CCC[N@@H+](CC1CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000309947406 1297079609 /nfs/dbraw/zinc/07/96/09/1297079609.db2.gz PETCCDVNJZOFRA-UHFFFAOYSA-N 2 1 329.532 3.363 20 0 EGADMP CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000321847181 1297182653 /nfs/dbraw/zinc/18/26/53/1297182653.db2.gz BIYKDTKSRAATLT-LUKYLMHMSA-N 2 1 337.508 3.039 20 0 EGADMP OC[C@@H](C1CC1)[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1 ZINC000873209269 1297352546 /nfs/dbraw/zinc/35/25/46/1297352546.db2.gz JEQQLXVIMTVVCZ-IBGZPJMESA-N 2 1 342.508 3.167 20 0 EGADMP Cc1ccccc1[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873206099 1297354369 /nfs/dbraw/zinc/35/43/69/1297354369.db2.gz VTMTZKKRGMXFKH-SFHVURJKSA-N 2 1 328.481 3.276 20 0 EGADMP Cc1ccccc1[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873206099 1297354379 /nfs/dbraw/zinc/35/43/79/1297354379.db2.gz VTMTZKKRGMXFKH-SFHVURJKSA-N 2 1 328.481 3.276 20 0 EGADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873213138 1297354797 /nfs/dbraw/zinc/35/47/97/1297354797.db2.gz XSPCBKNLNVFYSZ-QGZVFWFLSA-N 2 1 327.497 3.105 20 0 EGADMP FC(F)[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291266 1297412583 /nfs/dbraw/zinc/41/25/83/1297412583.db2.gz IWKMLLQAMMRWNI-DLBZAZTESA-N 2 1 338.442 3.001 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379655438 1297534583 /nfs/dbraw/zinc/53/45/83/1297534583.db2.gz LUQMEWVRGHPTAS-VOQZNFBZSA-N 2 1 349.478 3.234 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379655438 1297534588 /nfs/dbraw/zinc/53/45/88/1297534588.db2.gz LUQMEWVRGHPTAS-VOQZNFBZSA-N 2 1 349.478 3.234 20 0 EGADMP C[C@H](CC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000379615034 1297535122 /nfs/dbraw/zinc/53/51/22/1297535122.db2.gz AAYUNSNICUCMON-FOIQADDNSA-N 2 1 348.437 3.498 20 0 EGADMP CCON1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000379615268 1297536131 /nfs/dbraw/zinc/53/61/31/1297536131.db2.gz AMXOOEOLSLULNR-XLIONFOSSA-N 2 1 331.504 3.045 20 0 EGADMP CCON1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000379615268 1297536140 /nfs/dbraw/zinc/53/61/40/1297536140.db2.gz AMXOOEOLSLULNR-XLIONFOSSA-N 2 1 331.504 3.045 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000382726671 1297562948 /nfs/dbraw/zinc/56/29/48/1297562948.db2.gz UMNSRAYCXFTOAG-GOSISDBHSA-N 2 1 345.531 3.134 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000382726671 1297562953 /nfs/dbraw/zinc/56/29/53/1297562953.db2.gz UMNSRAYCXFTOAG-GOSISDBHSA-N 2 1 345.531 3.134 20 0 EGADMP CCC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000382945692 1297566509 /nfs/dbraw/zinc/56/65/09/1297566509.db2.gz RTOYYLUAFOTHHO-FQEVSTJZSA-N 3 1 329.532 3.363 20 0 EGADMP CCCN(C[C@H]1CCC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000382945692 1297566517 /nfs/dbraw/zinc/56/65/17/1297566517.db2.gz RTOYYLUAFOTHHO-FQEVSTJZSA-N 2 1 329.532 3.363 20 0 EGADMP CC(C)n1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000383424954 1297571232 /nfs/dbraw/zinc/57/12/32/1297571232.db2.gz CCXFCOQNSFJMMD-IBGZPJMESA-N 2 1 326.488 3.466 20 0 EGADMP CC(C)n1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000383424954 1297571240 /nfs/dbraw/zinc/57/12/40/1297571240.db2.gz CCXFCOQNSFJMMD-IBGZPJMESA-N 2 1 326.488 3.466 20 0 EGADMP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C1([NH3+])CCCCC1 ZINC000404386437 1297750411 /nfs/dbraw/zinc/75/04/11/1297750411.db2.gz NCXGIJZPEJGJAL-RCCFBDPRSA-N 2 1 343.515 3.158 20 0 EGADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C1([NH3+])CCCCC1 ZINC000404386437 1297750420 /nfs/dbraw/zinc/75/04/20/1297750420.db2.gz NCXGIJZPEJGJAL-RCCFBDPRSA-N 2 1 343.515 3.158 20 0 EGADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000493992933 1297949643 /nfs/dbraw/zinc/94/96/43/1297949643.db2.gz REGPLNTZOIZQHM-ROUUACIJSA-N 2 1 343.515 3.017 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000700802419 1298180133 /nfs/dbraw/zinc/18/01/33/1298180133.db2.gz IWGRHKGUANXJBL-IAGOWNOFSA-N 2 1 339.524 3.098 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000708566783 1298241896 /nfs/dbraw/zinc/24/18/96/1298241896.db2.gz UBHOEDFPGGRIRR-XLIONFOSSA-N 2 1 340.515 3.496 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000708566783 1298241905 /nfs/dbraw/zinc/24/19/05/1298241905.db2.gz UBHOEDFPGGRIRR-XLIONFOSSA-N 2 1 340.515 3.496 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@]12CCC[C@@H]1OCC2 ZINC000720142231 1298326179 /nfs/dbraw/zinc/32/61/79/1298326179.db2.gz KDIBNBTVQAVFFD-HZEGPAAWSA-N 2 1 328.500 3.446 20 0 EGADMP C[NH+](C)[C@H]1CCCN(C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000857192223 1328524462 /nfs/dbraw/zinc/52/44/62/1328524462.db2.gz FCVAICOPVSNXOZ-UXHICEINSA-N 2 1 343.515 3.052 20 0 EGADMP Cc1cc2ncn(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)c2cc1C ZINC000746381300 1298577745 /nfs/dbraw/zinc/57/77/45/1298577745.db2.gz GYTFHHOXRQJVEX-SFHVURJKSA-N 2 1 326.488 3.274 20 0 EGADMP Cc1cc2ncn(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)c2cc1C ZINC000746381300 1298577750 /nfs/dbraw/zinc/57/77/50/1298577750.db2.gz GYTFHHOXRQJVEX-SFHVURJKSA-N 2 1 326.488 3.274 20 0 EGADMP Cc1cc2ncn(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)c2cc1C ZINC000746381300 1298577757 /nfs/dbraw/zinc/57/77/57/1298577757.db2.gz GYTFHHOXRQJVEX-SFHVURJKSA-N 2 1 326.488 3.274 20 0 EGADMP Cc1cc2ncn(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)c2cc1C ZINC000746381300 1298577767 /nfs/dbraw/zinc/57/77/67/1298577767.db2.gz GYTFHHOXRQJVEX-SFHVURJKSA-N 2 1 326.488 3.274 20 0 EGADMP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000877031560 1299121163 /nfs/dbraw/zinc/12/11/63/1299121163.db2.gz XXIMQPYTKBYWDZ-ILZDJORESA-N 2 1 343.515 3.140 20 0 EGADMP c1ccc([C@H]2C[C@@H]([NH2+]CCOc3cccnc3)CC[N@@H+]2C2CC2)cc1 ZINC000877038627 1299126778 /nfs/dbraw/zinc/12/67/78/1299126778.db2.gz URLXELFUMOQASF-GHTZIAJQSA-N 2 1 337.467 3.418 20 0 EGADMP c1ccc([C@H]2C[C@@H]([NH2+]CCOc3cccnc3)CC[N@H+]2C2CC2)cc1 ZINC000877038627 1299126783 /nfs/dbraw/zinc/12/67/83/1299126783.db2.gz URLXELFUMOQASF-GHTZIAJQSA-N 2 1 337.467 3.418 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877448022 1299308378 /nfs/dbraw/zinc/30/83/78/1299308378.db2.gz CAVMWIXWNKHQHZ-BHIYHBOVSA-N 2 1 335.536 3.007 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCc4ccccn4)cc3)CC[C@H]21 ZINC000877743749 1299521965 /nfs/dbraw/zinc/52/19/65/1299521965.db2.gz MMKZEBSTARHELV-WIYYLYMNSA-N 2 1 337.467 3.187 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCc4ccccn4)cc3)CC[C@H]21 ZINC000877743749 1299521970 /nfs/dbraw/zinc/52/19/70/1299521970.db2.gz MMKZEBSTARHELV-WIYYLYMNSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(OCc4ccccn4)cc3)CC[C@H]21 ZINC000877743749 1299521979 /nfs/dbraw/zinc/52/19/79/1299521979.db2.gz MMKZEBSTARHELV-WIYYLYMNSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccn4)cc3)CC[C@H]21 ZINC000877743749 1299521985 /nfs/dbraw/zinc/52/19/85/1299521985.db2.gz MMKZEBSTARHELV-WIYYLYMNSA-N 2 1 337.467 3.187 20 0 EGADMP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000878172078 1299794644 /nfs/dbraw/zinc/79/46/44/1299794644.db2.gz ACWWOYMOEODQAL-SFHVURJKSA-N 2 1 340.471 3.339 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccnc(N(C)C)c2)CC1)CC1CC1 ZINC000754098235 1300086077 /nfs/dbraw/zinc/08/60/77/1300086077.db2.gz VIWAZMPYOWVTDC-UHFFFAOYSA-N 2 1 344.547 3.482 20 0 EGADMP C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879250105 1300454442 /nfs/dbraw/zinc/45/44/42/1300454442.db2.gz MOPKJNYURNAKLJ-INIZCTEOSA-N 2 1 346.523 3.047 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000759965060 1301198650 /nfs/dbraw/zinc/19/86/50/1301198650.db2.gz GOBWEUWVJFZDIQ-SFHVURJKSA-N 2 1 340.467 3.198 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000759965060 1301198654 /nfs/dbraw/zinc/19/86/54/1301198654.db2.gz GOBWEUWVJFZDIQ-SFHVURJKSA-N 2 1 340.467 3.198 20 0 EGADMP CCCOC(=O)[C@@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762926797 1301785686 /nfs/dbraw/zinc/78/56/86/1301785686.db2.gz NYRUDLMZQDJELT-GOSISDBHSA-N 2 1 344.499 3.316 20 0 EGADMP CCCOC(=O)[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762926797 1301785692 /nfs/dbraw/zinc/78/56/92/1301785692.db2.gz NYRUDLMZQDJELT-GOSISDBHSA-N 2 1 344.499 3.316 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cn1cccn1 ZINC000766166926 1302402350 /nfs/dbraw/zinc/40/23/50/1302402350.db2.gz XSFIEHWQNXPOJE-BXWFABGCSA-N 2 1 342.487 3.073 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cn1cccn1 ZINC000766166926 1302402369 /nfs/dbraw/zinc/40/23/69/1302402369.db2.gz XSFIEHWQNXPOJE-BXWFABGCSA-N 2 1 342.487 3.073 20 0 EGADMP CC(C)[C@H](CC[N@@H+](C)CC[C@H]1CCC[NH+]1C)NC(=O)OC(C)(C)C ZINC000767413291 1302665417 /nfs/dbraw/zinc/66/54/17/1302665417.db2.gz ASIFTDUIYQPGNR-SJORKVTESA-N 2 1 341.540 3.342 20 0 EGADMP CC(C)[C@H](CC[NH+](C)CC[C@H]1CCC[N@@H+]1C)NC(=O)OC(C)(C)C ZINC000767413291 1302665431 /nfs/dbraw/zinc/66/54/31/1302665431.db2.gz ASIFTDUIYQPGNR-SJORKVTESA-N 2 1 341.540 3.342 20 0 EGADMP CC(C)[C@H](CC[NH+](C)CC[C@H]1CCC[N@H+]1C)NC(=O)OC(C)(C)C ZINC000767413291 1302665444 /nfs/dbraw/zinc/66/54/44/1302665444.db2.gz ASIFTDUIYQPGNR-SJORKVTESA-N 2 1 341.540 3.342 20 0 EGADMP C[NH2+][C@@H](CC(C)C)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000884329062 1302816652 /nfs/dbraw/zinc/81/66/52/1302816652.db2.gz FPOSNJGMCMDOFH-SXLOBPIMSA-N 2 1 345.531 3.037 20 0 EGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000768227614 1302861517 /nfs/dbraw/zinc/86/15/17/1302861517.db2.gz CTXKISNKBHRQCW-KRWDZBQOSA-N 2 1 339.524 3.191 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000768227614 1302861524 /nfs/dbraw/zinc/86/15/24/1302861524.db2.gz CTXKISNKBHRQCW-KRWDZBQOSA-N 2 1 339.524 3.191 20 0 EGADMP C[C@H](C[C@H](C)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000769684576 1303157708 /nfs/dbraw/zinc/15/77/08/1303157708.db2.gz NVMDAAUPPOCOEE-TWMKSMIVSA-N 2 1 341.540 3.388 20 0 EGADMP C[C@H](C[C@H](C)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000769684576 1303157710 /nfs/dbraw/zinc/15/77/10/1303157710.db2.gz NVMDAAUPPOCOEE-TWMKSMIVSA-N 2 1 341.540 3.388 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1N(C)C ZINC000769687351 1303158780 /nfs/dbraw/zinc/15/87/80/1303158780.db2.gz FZWBHFXJPGUCAT-FUHWJXTLSA-N 2 1 331.504 3.047 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000885948625 1303292801 /nfs/dbraw/zinc/29/28/01/1303292801.db2.gz AKLLZUGPIAKXIT-HXUWFJFHSA-N 2 1 346.515 3.345 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4cccnc43)c2)CCO1 ZINC000886512972 1303482355 /nfs/dbraw/zinc/48/23/55/1303482355.db2.gz QSPYFRGQJHIBEL-JXFKEZNVSA-N 2 1 337.467 3.079 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4cccnc43)c2)CCO1 ZINC000886512972 1303482356 /nfs/dbraw/zinc/48/23/56/1303482356.db2.gz QSPYFRGQJHIBEL-JXFKEZNVSA-N 2 1 337.467 3.079 20 0 EGADMP O[C@@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000772217216 1303504692 /nfs/dbraw/zinc/50/46/92/1303504692.db2.gz JBFZYZFZVJUQSA-IPELMVKDSA-N 2 1 334.891 3.322 20 0 EGADMP O[C@@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000772217216 1303504696 /nfs/dbraw/zinc/50/46/96/1303504696.db2.gz JBFZYZFZVJUQSA-IPELMVKDSA-N 2 1 334.891 3.322 20 0 EGADMP O[C@@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000772217216 1303504697 /nfs/dbraw/zinc/50/46/97/1303504697.db2.gz JBFZYZFZVJUQSA-IPELMVKDSA-N 2 1 334.891 3.322 20 0 EGADMP Cc1[nH+]ccn1CCOC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000772717997 1303567944 /nfs/dbraw/zinc/56/79/44/1303567944.db2.gz KWVMPVXAIAODMR-UHFFFAOYSA-N 2 1 341.455 3.037 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000775375996 1303948193 /nfs/dbraw/zinc/94/81/93/1303948193.db2.gz QYQWGPPSPOWLGC-BPKGMFCQSA-N 2 1 328.591 3.324 20 0 EGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)([NH+](C)C)C1 ZINC000775374838 1303949112 /nfs/dbraw/zinc/94/91/12/1303949112.db2.gz FIIGBXUHMZGWOI-NRKLIOEPSA-N 2 1 328.591 3.466 20 0 EGADMP Cc1ncc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000775522536 1303978602 /nfs/dbraw/zinc/97/86/02/1303978602.db2.gz STGBBZCDJWRBID-CRAIPNDOSA-N 2 1 329.513 3.494 20 0 EGADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000778975534 1304513817 /nfs/dbraw/zinc/51/38/17/1304513817.db2.gz JZWVZBCKRVWFAN-WMZOPIPTSA-N 2 1 325.456 3.090 20 0 EGADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000778975534 1304513822 /nfs/dbraw/zinc/51/38/22/1304513822.db2.gz JZWVZBCKRVWFAN-WMZOPIPTSA-N 2 1 325.456 3.090 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(NC(=O)C2CC2)cc1 ZINC000892506172 1305411456 /nfs/dbraw/zinc/41/14/56/1305411456.db2.gz WIBBTXMQSKXXMF-RIJRJKGBSA-N 2 1 327.472 3.311 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]C2CCS(=O)CC2)C1 ZINC000892600946 1305461822 /nfs/dbraw/zinc/46/18/22/1305461822.db2.gz PRAMSJXFPUSUST-ZRVNPNCUSA-N 2 1 348.556 3.165 20 0 EGADMP COc1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc1 ZINC000893226433 1305772322 /nfs/dbraw/zinc/77/23/22/1305772322.db2.gz RDONGAISKSOTPG-IEBWSBKVSA-N 2 1 339.483 3.481 20 0 EGADMP C[NH+]1CCC(C[N@@H+](CCn2ccnc2)Cc2cccc(Cl)c2)CC1 ZINC000894475594 1308911264 /nfs/dbraw/zinc/91/12/64/1308911264.db2.gz GAOXHEHRXDRJEJ-UHFFFAOYSA-N 2 1 346.906 3.381 20 0 EGADMP COc1ccccc1C(C)(C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796279622 1309951673 /nfs/dbraw/zinc/95/16/73/1309951673.db2.gz DDSZZSUQXBQBOJ-UHFFFAOYSA-N 2 1 333.501 3.281 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000798072462 1310290492 /nfs/dbraw/zinc/29/04/92/1310290492.db2.gz KTRRWBYXTAGRLZ-IBGZPJMESA-N 2 1 335.536 3.166 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824416771 1320255708 /nfs/dbraw/zinc/25/57/08/1320255708.db2.gz NQMKPTPRBSFGEE-YESZJQIVSA-N 2 1 341.540 3.340 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824416771 1320255713 /nfs/dbraw/zinc/25/57/13/1320255713.db2.gz NQMKPTPRBSFGEE-YESZJQIVSA-N 2 1 341.540 3.340 20 0 EGADMP CCCCn1nc(C)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1Cl ZINC000839180459 1320886998 /nfs/dbraw/zinc/88/69/98/1320886998.db2.gz DFFWHFQZNHLGGX-HNNXBMFYSA-N 2 1 326.916 3.467 20 0 EGADMP CC[C@H](C)[NH+]1CCN(C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000857281322 1328525844 /nfs/dbraw/zinc/52/58/44/1328525844.db2.gz XQTAHXDHYGWOEI-FXAWDEMLSA-N 2 1 343.515 3.052 20 0 EGADMP CCCN(C(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[C@H]1CC[N@@H+](C)C1 ZINC000857295442 1328526574 /nfs/dbraw/zinc/52/65/74/1328526574.db2.gz PITRCSLQIJOOLO-UXHICEINSA-N 2 1 343.515 3.052 20 0 EGADMP CCCN(C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)[C@H]1CC[NH+](C)C1 ZINC000857295442 1328526575 /nfs/dbraw/zinc/52/65/75/1328526575.db2.gz PITRCSLQIJOOLO-UXHICEINSA-N 2 1 343.515 3.052 20 0 EGADMP CCCN(C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[C@H]1CC[NH+](C)C1 ZINC000857295442 1328526579 /nfs/dbraw/zinc/52/65/79/1328526579.db2.gz PITRCSLQIJOOLO-UXHICEINSA-N 2 1 343.515 3.052 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001018990824 1316995500 /nfs/dbraw/zinc/99/55/00/1316995500.db2.gz QTXFTGYXYITJRR-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC000957286783 1317261592 /nfs/dbraw/zinc/26/15/92/1317261592.db2.gz FTRROSDSTQWCOL-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900413751 1317285739 /nfs/dbraw/zinc/28/57/39/1317285739.db2.gz ZSHKDRRGEUIBOE-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP C[N@H+](CCC[NH3+])Cc1cc(-c2cc3ccccc3nc2Cl)no1 ZINC000901402231 1317420012 /nfs/dbraw/zinc/42/00/12/1317420012.db2.gz ZAGOPCVIWBUXEV-UHFFFAOYSA-N 2 1 330.819 3.324 20 0 EGADMP C[N@@H+](CCC[NH3+])Cc1cc(-c2cc3ccccc3nc2Cl)no1 ZINC000901402231 1317420016 /nfs/dbraw/zinc/42/00/16/1317420016.db2.gz ZAGOPCVIWBUXEV-UHFFFAOYSA-N 2 1 330.819 3.324 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000957517540 1317420460 /nfs/dbraw/zinc/42/04/60/1317420460.db2.gz VPOVIEWTTXWYNZ-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CC2([NH3+])CC2)CCC3)cc1 ZINC000902415793 1317575835 /nfs/dbraw/zinc/57/58/35/1317575835.db2.gz JPZSLVFEWNQAHV-CQSZACIVSA-N 2 1 329.469 3.277 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)CC2CCC2)CC1 ZINC000957720188 1317587269 /nfs/dbraw/zinc/58/72/69/1317587269.db2.gz IQYIYDFYNLAPPW-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](CC)CC2CCC2)CC1 ZINC000957720188 1317587275 /nfs/dbraw/zinc/58/72/75/1317587275.db2.gz IQYIYDFYNLAPPW-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)CC2CCC2)CC1 ZINC000957720188 1317587280 /nfs/dbraw/zinc/58/72/80/1317587280.db2.gz IQYIYDFYNLAPPW-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](CC1CCC1)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC000957720415 1317588295 /nfs/dbraw/zinc/58/82/95/1317588295.db2.gz KKDQWBWEOQQCEU-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC1CCC1)CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000957720415 1317588300 /nfs/dbraw/zinc/58/83/00/1317588300.db2.gz KKDQWBWEOQQCEU-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC1CCC1)CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000957720415 1317588304 /nfs/dbraw/zinc/58/83/04/1317588304.db2.gz KKDQWBWEOQQCEU-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001020237826 1317603772 /nfs/dbraw/zinc/60/37/72/1317603772.db2.gz DXBJQOPWYQLVHZ-UFYCRDLUSA-N 2 1 347.547 3.092 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001020289267 1317627975 /nfs/dbraw/zinc/62/79/75/1317627975.db2.gz WHQPUYDHQBUYCI-UAFMIMERSA-N 2 1 345.531 3.131 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)c1cccc(Cl)c1 ZINC001020297754 1317633427 /nfs/dbraw/zinc/63/34/27/1317633427.db2.gz YFTGCPXSFSHQQU-PILAGYSTSA-N 2 1 349.906 3.122 20 0 EGADMP c1ccc(N2CC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903067360 1317647155 /nfs/dbraw/zinc/64/71/55/1317647155.db2.gz RYUKSUBIIJEPBY-FYHVPLJZSA-N 2 1 325.500 3.260 20 0 EGADMP Cc1cccc2oc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)nc21 ZINC000903104147 1317654059 /nfs/dbraw/zinc/65/40/59/1317654059.db2.gz RBAZYZNCYGYRLO-ZXFUBFMLSA-N 2 1 325.456 3.426 20 0 EGADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C[N@H+]1Cc1ccccc1 ZINC000903110840 1317654996 /nfs/dbraw/zinc/65/49/96/1317654996.db2.gz RNVROIBCIVZCDZ-FJTLRTSUSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[NH+]1Cc1ccccc1 ZINC000903110840 1317654999 /nfs/dbraw/zinc/65/49/99/1317654999.db2.gz RNVROIBCIVZCDZ-FJTLRTSUSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[NH+]1Cc1ccccc1 ZINC000903110840 1317655003 /nfs/dbraw/zinc/65/50/03/1317655003.db2.gz RNVROIBCIVZCDZ-FJTLRTSUSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CN1Cc1ccccc1 ZINC000903110840 1317655007 /nfs/dbraw/zinc/65/50/07/1317655007.db2.gz RNVROIBCIVZCDZ-FJTLRTSUSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CN1Cc1ccccc1 ZINC000903110840 1317655010 /nfs/dbraw/zinc/65/50/10/1317655010.db2.gz RNVROIBCIVZCDZ-FJTLRTSUSA-N 2 1 339.527 3.397 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]1O)CCC2 ZINC000903115741 1317655988 /nfs/dbraw/zinc/65/59/88/1317655988.db2.gz OMEYMYJIIACEQL-LMYCIYFBSA-N 2 1 342.527 3.442 20 0 EGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C2 ZINC000903118462 1317657091 /nfs/dbraw/zinc/65/70/91/1317657091.db2.gz PIADQRRRJSRXAJ-IQRYMVJYSA-N 2 1 338.442 3.095 20 0 EGADMP FC(F)(F)c1ccnc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903174156 1317668686 /nfs/dbraw/zinc/66/86/86/1317668686.db2.gz FFWGELCJPMVCPS-ZXFUBFMLSA-N 2 1 339.405 3.390 20 0 EGADMP FC(F)(F)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)ccn1 ZINC000903178101 1317668732 /nfs/dbraw/zinc/66/87/32/1317668732.db2.gz FSDOSGNUWVZBGE-LQDVMPOASA-N 2 1 325.378 3.348 20 0 EGADMP FC(F)(F)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)ccn1 ZINC000903178101 1317668739 /nfs/dbraw/zinc/66/87/39/1317668739.db2.gz FSDOSGNUWVZBGE-LQDVMPOASA-N 2 1 325.378 3.348 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903507426 1317706605 /nfs/dbraw/zinc/70/66/05/1317706605.db2.gz ZFEVNNJDAHYEKS-ZOCIIQOWSA-N 2 1 333.907 3.302 20 0 EGADMP c1sc2ccccc2c1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903510080 1317706830 /nfs/dbraw/zinc/70/68/30/1317706830.db2.gz NQMGSEOOZKCDFK-HDICACEKSA-N 2 1 341.524 3.302 20 0 EGADMP c1sc2ccccc2c1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510080 1317706836 /nfs/dbraw/zinc/70/68/36/1317706836.db2.gz NQMGSEOOZKCDFK-HDICACEKSA-N 2 1 341.524 3.302 20 0 EGADMP c1sc2ccccc2c1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510080 1317706840 /nfs/dbraw/zinc/70/68/40/1317706840.db2.gz NQMGSEOOZKCDFK-HDICACEKSA-N 2 1 341.524 3.302 20 0 EGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000808732347 1317725760 /nfs/dbraw/zinc/72/57/60/1317725760.db2.gz JNDLIHVVMNKBHN-HOTGVXAUSA-N 2 1 327.513 3.096 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000808732347 1317725765 /nfs/dbraw/zinc/72/57/65/1317725765.db2.gz JNDLIHVVMNKBHN-HOTGVXAUSA-N 2 1 327.513 3.096 20 0 EGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)s1 ZINC000903739766 1317728365 /nfs/dbraw/zinc/72/83/65/1317728365.db2.gz OYQUGCYXCXFSNT-LSDHHAIUSA-N 2 1 337.533 3.165 20 0 EGADMP Clc1ccc(CN2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000903879270 1317740540 /nfs/dbraw/zinc/74/05/40/1317740540.db2.gz XDINNBSYPOJGOD-CTXDPNEZSA-N 2 1 347.934 3.378 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903900105 1317744814 /nfs/dbraw/zinc/74/48/14/1317744814.db2.gz ZXZYXDVOYABBDY-LBFURVHYSA-N 3 1 333.564 3.494 20 0 EGADMP [NH3+][C@H](C[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)CC(F)F ZINC000903926454 1317750763 /nfs/dbraw/zinc/75/07/63/1317750763.db2.gz SHCJWKFHYSDFBL-KBPBESRZSA-N 2 1 349.828 3.016 20 0 EGADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000903970096 1317758960 /nfs/dbraw/zinc/75/89/60/1317758960.db2.gz QDIVOTNEOVLSAT-UFYCRDLUSA-N 2 1 328.500 3.245 20 0 EGADMP CCOc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccc1OC(=O)CC ZINC000858246307 1328721755 /nfs/dbraw/zinc/72/17/55/1328721755.db2.gz ZWHITXHLWFHKNU-QGZVFWFLSA-N 2 1 348.487 3.222 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)c1ccccc1Cl ZINC001020586724 1317791263 /nfs/dbraw/zinc/79/12/63/1317791263.db2.gz XFDWZCNGBFLXON-KLHDSHLOSA-N 2 1 349.906 3.122 20 0 EGADMP COc1cccc(Oc2ncccc2C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000904363144 1317836154 /nfs/dbraw/zinc/83/61/54/1317836154.db2.gz CJJAIBXDMOLLAY-FQEVSTJZSA-N 2 1 341.455 3.362 20 0 EGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000904406437 1317843255 /nfs/dbraw/zinc/84/32/55/1317843255.db2.gz VDYOSHGQPOMKIO-KRWDZBQOSA-N 2 1 347.466 3.105 20 0 EGADMP Cc1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)ccc1-n1cncn1 ZINC000809738813 1317884214 /nfs/dbraw/zinc/88/42/14/1317884214.db2.gz KVQLBOGMSZOZRO-UHFFFAOYSA-N 2 1 349.482 3.269 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001020719697 1317885216 /nfs/dbraw/zinc/88/52/16/1317885216.db2.gz PEWJCOVMZPRDHW-MUGJNUQGSA-N 2 1 345.531 3.131 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3occc3Br)C2)CC1 ZINC000809757066 1317893570 /nfs/dbraw/zinc/89/35/70/1317893570.db2.gz WDMCFXBWYYUVHU-CYBMUJFWSA-N 2 1 327.266 3.206 20 0 EGADMP C[N@@H+](Cc1cn(C[C@H]2CC[NH+](Cc3ccccc3)C2)nn1)C(C)(C)C ZINC000905058041 1317918528 /nfs/dbraw/zinc/91/85/28/1317918528.db2.gz DMZOWVSOKGWWBY-SFHVURJKSA-N 2 1 341.503 3.031 20 0 EGADMP C[NH+](Cc1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1)C(C)(C)C ZINC000905058041 1317918535 /nfs/dbraw/zinc/91/85/35/1317918535.db2.gz DMZOWVSOKGWWBY-SFHVURJKSA-N 2 1 341.503 3.031 20 0 EGADMP C[NH+](Cc1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1)C(C)(C)C ZINC000905058041 1317918540 /nfs/dbraw/zinc/91/85/40/1317918540.db2.gz DMZOWVSOKGWWBY-SFHVURJKSA-N 2 1 341.503 3.031 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000810163421 1317966737 /nfs/dbraw/zinc/96/67/37/1317966737.db2.gz TTXMASRQFFWVLY-GTPINHCMSA-N 2 1 341.540 3.388 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000810163421 1317966742 /nfs/dbraw/zinc/96/67/42/1317966742.db2.gz TTXMASRQFFWVLY-GTPINHCMSA-N 2 1 341.540 3.388 20 0 EGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000810244895 1317985245 /nfs/dbraw/zinc/98/52/45/1317985245.db2.gz JNDLIHVVMNKBHN-CVEARBPZSA-N 2 1 327.513 3.096 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000810244895 1317985251 /nfs/dbraw/zinc/98/52/51/1317985251.db2.gz JNDLIHVVMNKBHN-CVEARBPZSA-N 2 1 327.513 3.096 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@](C)(O)C(F)F)cc2)C1 ZINC000905905918 1318016789 /nfs/dbraw/zinc/01/67/89/1318016789.db2.gz HTWRNIDSJNZRIQ-KDOFPFPSSA-N 2 1 326.431 3.024 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNc3cc[nH+]c(CO)c3)cc2)C1 ZINC000858348007 1328742669 /nfs/dbraw/zinc/74/26/69/1328742669.db2.gz CHXOQQNPSZMZQQ-INIZCTEOSA-N 2 1 325.456 3.418 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001021254566 1318159764 /nfs/dbraw/zinc/15/97/64/1318159764.db2.gz PTSQCIOAPYFNHK-RAFMOHDBSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001021254566 1318159766 /nfs/dbraw/zinc/15/97/66/1318159766.db2.gz PTSQCIOAPYFNHK-RAFMOHDBSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001021254566 1318159770 /nfs/dbraw/zinc/15/97/70/1318159770.db2.gz PTSQCIOAPYFNHK-RAFMOHDBSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)[NH+]1CCCCC1 ZINC001021256853 1318160665 /nfs/dbraw/zinc/16/06/65/1318160665.db2.gz UBCKUBGEHNNGCF-YQQQUEKLSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(CC)CC ZINC001021273805 1318167369 /nfs/dbraw/zinc/16/73/69/1318167369.db2.gz FZPJFORQFLSGQC-RAFMOHDBSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(CC)CC ZINC001021273805 1318167375 /nfs/dbraw/zinc/16/73/75/1318167375.db2.gz FZPJFORQFLSGQC-RAFMOHDBSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(CC)CC ZINC001021273805 1318167379 /nfs/dbraw/zinc/16/73/79/1318167379.db2.gz FZPJFORQFLSGQC-RAFMOHDBSA-N 2 1 349.563 3.409 20 0 EGADMP Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)cs1 ZINC000960021302 1318316981 /nfs/dbraw/zinc/31/69/81/1318316981.db2.gz BCEAQNWYJDGKOH-SFHVURJKSA-N 2 1 349.544 3.012 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC000960032343 1318320631 /nfs/dbraw/zinc/32/06/31/1318320631.db2.gz FHWMFWPFQYZOGH-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)cs1 ZINC000960130981 1318372395 /nfs/dbraw/zinc/37/23/95/1318372395.db2.gz KURMXEFCUJRBGW-YJBOKZPZSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC000960271883 1318437869 /nfs/dbraw/zinc/43/78/69/1318437869.db2.gz WRGWVBQLAPVXEC-YFVAEKQCSA-N 2 1 343.515 3.031 20 0 EGADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000909606084 1318500388 /nfs/dbraw/zinc/50/03/88/1318500388.db2.gz KTKWJRDQEZDPJZ-IBGZPJMESA-N 2 1 325.456 3.298 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666566 1318530205 /nfs/dbraw/zinc/53/02/05/1318530205.db2.gz VNTFBVNNLUDWKZ-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681912 1318552640 /nfs/dbraw/zinc/55/26/40/1318552640.db2.gz KCGZABKCPULUAT-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681910 1318553744 /nfs/dbraw/zinc/55/37/44/1318553744.db2.gz KCGZABKCPULUAT-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H]2C[N@H+](C(C)C)CC[C@H]21 ZINC001021682930 1318555117 /nfs/dbraw/zinc/55/51/17/1318555117.db2.gz VKMMIUDWXNCTHM-QZTJIDSGSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H]2C[N@@H+](C(C)C)CC[C@H]21 ZINC001021682930 1318555120 /nfs/dbraw/zinc/55/51/20/1318555120.db2.gz VKMMIUDWXNCTHM-QZTJIDSGSA-N 2 1 346.519 3.118 20 0 EGADMP CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021690192 1318563927 /nfs/dbraw/zinc/56/39/27/1318563927.db2.gz GQIMRLSEOZXGRC-VQTJNVASSA-N 2 1 343.515 3.085 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491373 1328777939 /nfs/dbraw/zinc/77/79/39/1328777939.db2.gz GHVKAGCBZICMHD-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP CC1(C)[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1O ZINC000813880241 1318649755 /nfs/dbraw/zinc/64/97/55/1318649755.db2.gz DHGGJKGUVXHFBN-NOSIKRSBSA-N 2 1 328.500 3.321 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)c1cccc(Cl)c1 ZINC001022291361 1318880421 /nfs/dbraw/zinc/88/04/21/1318880421.db2.gz YFTGCPXSFSHQQU-VIBAHUMZSA-N 2 1 349.906 3.122 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3ccccc3)C2)C1 ZINC001022585234 1319003693 /nfs/dbraw/zinc/00/36/93/1319003693.db2.gz LTMDEBDBYJMMSJ-AFYVEPGGSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCC1)[NH+](C)C ZINC000960865630 1319010541 /nfs/dbraw/zinc/01/05/41/1319010541.db2.gz XKDUEWRKROWFBM-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)c1ccccc1Cl ZINC001022712667 1319079155 /nfs/dbraw/zinc/07/91/55/1319079155.db2.gz XFDWZCNGBFLXON-FPCVCCKLSA-N 2 1 349.906 3.122 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001023274426 1319407452 /nfs/dbraw/zinc/40/74/52/1319407452.db2.gz ZJHLCPBPCMVHSR-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001023274426 1319407461 /nfs/dbraw/zinc/40/74/61/1319407461.db2.gz ZJHLCPBPCMVHSR-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001023274426 1319407467 /nfs/dbraw/zinc/40/74/67/1319407467.db2.gz ZJHLCPBPCMVHSR-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961288481 1319447365 /nfs/dbraw/zinc/44/73/65/1319447365.db2.gz WZOYARNXMHTKKZ-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C[C@H]1C[NH3+] ZINC000817879652 1319450954 /nfs/dbraw/zinc/45/09/54/1319450954.db2.gz DNEHILRJOLKCDL-QWQRMKEZSA-N 2 1 340.467 3.087 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000817892265 1319453636 /nfs/dbraw/zinc/45/36/36/1319453636.db2.gz RQCIXABVNMRFLA-RYGJVYDSSA-N 2 1 349.478 3.349 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(Br)ncc1F ZINC000817946847 1319472043 /nfs/dbraw/zinc/47/20/43/1319472043.db2.gz GKKPXRZBEDWSIK-GARJFASQSA-N 2 1 330.245 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001023402565 1319510268 /nfs/dbraw/zinc/51/02/68/1319510268.db2.gz OGAMBSVUVXQVOY-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001023402565 1319510276 /nfs/dbraw/zinc/51/02/76/1319510276.db2.gz OGAMBSVUVXQVOY-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001023402565 1319510281 /nfs/dbraw/zinc/51/02/81/1319510281.db2.gz OGAMBSVUVXQVOY-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccc3ccccc3c1)CC[NH2+]CC2 ZINC000818340656 1319530777 /nfs/dbraw/zinc/53/07/77/1319530777.db2.gz PLXWWFIHPVLWBO-MRXNPFEDSA-N 2 1 337.467 3.242 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961440228 1319593056 /nfs/dbraw/zinc/59/30/56/1319593056.db2.gz KTSASIIECAEPOZ-UYAOXDASSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000818981767 1319603349 /nfs/dbraw/zinc/60/33/49/1319603349.db2.gz YOKJCNYMGZNQAH-XJKSGUPXSA-N 2 1 330.394 3.060 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000819151998 1319650108 /nfs/dbraw/zinc/65/01/08/1319650108.db2.gz JTYQALCJQIRVNH-GUYCJALGSA-N 2 1 328.859 3.080 20 0 EGADMP CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552727 1319662519 /nfs/dbraw/zinc/66/25/19/1319662519.db2.gz MCDCTTPCGKAGBC-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552727 1319662529 /nfs/dbraw/zinc/66/25/29/1319662529.db2.gz MCDCTTPCGKAGBC-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552727 1319662538 /nfs/dbraw/zinc/66/25/38/1319662538.db2.gz MCDCTTPCGKAGBC-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)CC1CC[NH+](c2ccc(NCC3(O)CCCC3)cc2)CC1 ZINC000819443714 1319733621 /nfs/dbraw/zinc/73/36/21/1319733621.db2.gz BOTGIYSRXJHKEF-UHFFFAOYSA-N 2 1 331.504 3.182 20 0 EGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(F)c2)CC1 ZINC000917010108 1319737047 /nfs/dbraw/zinc/73/70/47/1319737047.db2.gz PZEDOVMEWCBHFH-OAQYLSRUSA-N 2 1 342.458 3.422 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC(C[NH2+]CC3=CCCCC3)C2)C1 ZINC000962217237 1319863936 /nfs/dbraw/zinc/86/39/36/1319863936.db2.gz RCAQSGHEIVYZLY-GPJFCIFZSA-N 2 1 347.547 3.093 20 0 EGADMP C[C@@H](O)C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000820814110 1319959066 /nfs/dbraw/zinc/95/90/66/1319959066.db2.gz FSVLESCWIKFIQH-VQEIGYSISA-N 2 1 328.500 3.289 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1)C(C)C ZINC000827329485 1320444279 /nfs/dbraw/zinc/44/42/79/1320444279.db2.gz GWBVZADQXRWAJN-WOJBJXKFSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1)C(C)C ZINC000827329485 1320444284 /nfs/dbraw/zinc/44/42/84/1320444284.db2.gz GWBVZADQXRWAJN-WOJBJXKFSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1)C(C)C ZINC000827329485 1320444287 /nfs/dbraw/zinc/44/42/87/1320444287.db2.gz GWBVZADQXRWAJN-WOJBJXKFSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000839092702 1320868557 /nfs/dbraw/zinc/86/85/57/1320868557.db2.gz VCPSTMYQAQWLLS-DLBZAZTESA-N 2 1 341.540 3.201 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000839092702 1320868559 /nfs/dbraw/zinc/86/85/59/1320868559.db2.gz VCPSTMYQAQWLLS-DLBZAZTESA-N 2 1 341.540 3.201 20 0 EGADMP Clc1ccc(OC2CC[NH+](CCC[NH+]3CCCCC3)CC2)nc1 ZINC000839203275 1320893516 /nfs/dbraw/zinc/89/35/16/1320893516.db2.gz XYXUWFNXIJVXGN-UHFFFAOYSA-N 2 1 337.895 3.454 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000840810035 1321154323 /nfs/dbraw/zinc/15/43/23/1321154323.db2.gz NPYGCSBTQUTERW-IRXDYDNUSA-N 2 1 345.487 3.416 20 0 EGADMP CCOc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OC(=O)CC ZINC000840909790 1321175585 /nfs/dbraw/zinc/17/55/85/1321175585.db2.gz HLFONTFBFYRTHY-KRWDZBQOSA-N 2 1 348.487 3.174 20 0 EGADMP CCOc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OC(=O)CC ZINC000840909790 1321175588 /nfs/dbraw/zinc/17/55/88/1321175588.db2.gz HLFONTFBFYRTHY-KRWDZBQOSA-N 2 1 348.487 3.174 20 0 EGADMP CCOc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1OC(=O)CC ZINC000840909790 1321175591 /nfs/dbraw/zinc/17/55/91/1321175591.db2.gz HLFONTFBFYRTHY-KRWDZBQOSA-N 2 1 348.487 3.174 20 0 EGADMP CCOc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1OC(=O)CC ZINC000840909790 1321175595 /nfs/dbraw/zinc/17/55/95/1321175595.db2.gz HLFONTFBFYRTHY-KRWDZBQOSA-N 2 1 348.487 3.174 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000841030891 1321204319 /nfs/dbraw/zinc/20/43/19/1321204319.db2.gz SPUCKPCCVAASBG-LJQANCHMSA-N 2 1 347.503 3.142 20 0 EGADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)ccc1OC(=O)C1CC1 ZINC000841039621 1321206573 /nfs/dbraw/zinc/20/65/73/1321206573.db2.gz WOAFLQSUOHSQDH-KRWDZBQOSA-N 2 1 346.471 3.008 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)[C@H]2CCc3ccccc3NC2=O)cc1 ZINC000859213320 1328946903 /nfs/dbraw/zinc/94/69/03/1328946903.db2.gz VKJUJSJJCORNNJ-FQEVSTJZSA-N 2 1 337.467 3.134 20 0 EGADMP COC(=O)c1ccc([C@H](C)[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000859215040 1328947638 /nfs/dbraw/zinc/94/76/38/1328947638.db2.gz XNTYQKHXRKMUCR-AWEZNQCLSA-N 2 1 330.428 3.321 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc(F)cc2F)cc1 ZINC000859214740 1328947951 /nfs/dbraw/zinc/94/79/51/1328947951.db2.gz MTLBTUVIVBVHCO-UHFFFAOYSA-N 2 1 347.409 3.097 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(F)cc2F)cc1 ZINC000859214740 1328947953 /nfs/dbraw/zinc/94/79/53/1328947953.db2.gz MTLBTUVIVBVHCO-UHFFFAOYSA-N 2 1 347.409 3.097 20 0 EGADMP O[C@@H](C[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000843064509 1321464485 /nfs/dbraw/zinc/46/44/85/1321464485.db2.gz GZHHYVMMUVXINQ-HKUYNNGSSA-N 2 1 330.497 3.283 20 0 EGADMP O[C@@H](C[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000843066738 1321465200 /nfs/dbraw/zinc/46/52/00/1321465200.db2.gz UBMZRGUTIQQLMC-MSOLQXFVSA-N 2 1 330.497 3.283 20 0 EGADMP CC[C@H](C)Oc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OC ZINC000843120162 1321473160 /nfs/dbraw/zinc/47/31/60/1321473160.db2.gz FVLVOYMKEODADV-INIZCTEOSA-N 2 1 332.488 3.448 20 0 EGADMP C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC([NH3+])CC2)c2ccccc2S1 ZINC000843354056 1321505385 /nfs/dbraw/zinc/50/53/85/1321505385.db2.gz VBBLLXLDUBOXAJ-FHERZECASA-N 2 1 347.528 3.106 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cccc(C[NH3+])c2)CC1 ZINC000844204654 1321578472 /nfs/dbraw/zinc/57/84/72/1321578472.db2.gz TXBKGFSEORFBJO-QGZVFWFLSA-N 2 1 343.515 3.262 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000844332638 1321591101 /nfs/dbraw/zinc/59/11/01/1321591101.db2.gz VOUZCRVIACSPFY-LJQANCHMSA-N 2 1 339.524 3.099 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000844332638 1321591110 /nfs/dbraw/zinc/59/11/10/1321591110.db2.gz VOUZCRVIACSPFY-LJQANCHMSA-N 2 1 339.524 3.099 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000844332638 1321591114 /nfs/dbraw/zinc/59/11/14/1321591114.db2.gz VOUZCRVIACSPFY-LJQANCHMSA-N 2 1 339.524 3.099 20 0 EGADMP CC[C@@H](C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000845924282 1321754086 /nfs/dbraw/zinc/75/40/86/1321754086.db2.gz WKAHDTFNIOKRRJ-JCYILVPMSA-N 2 1 339.524 3.144 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845980475 1321760491 /nfs/dbraw/zinc/76/04/91/1321760491.db2.gz GOEIRQCEIJQOEG-KLAILNCOSA-N 2 1 339.524 3.001 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)[C@H]1CC[NH3+] ZINC000846226642 1321778500 /nfs/dbraw/zinc/77/85/00/1321778500.db2.gz SDGYUBXQJUSWPM-LIRRHRJNSA-N 2 1 340.467 3.231 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccc5nonc5c4)C3)C2)cc1 ZINC000846899823 1321821638 /nfs/dbraw/zinc/82/16/38/1321821638.db2.gz SLMSZOZKGXNIAM-OAQYLSRUSA-N 2 1 348.450 3.321 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccc5nonc5c4)C3)C2)cc1 ZINC000846899823 1321821643 /nfs/dbraw/zinc/82/16/43/1321821643.db2.gz SLMSZOZKGXNIAM-OAQYLSRUSA-N 2 1 348.450 3.321 20 0 EGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccc5nonc5c4)C3)C2)cc1 ZINC000846899823 1321821655 /nfs/dbraw/zinc/82/16/55/1321821655.db2.gz SLMSZOZKGXNIAM-OAQYLSRUSA-N 2 1 348.450 3.321 20 0 EGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccc5nonc5c4)C3)C2)cc1 ZINC000846899823 1321821659 /nfs/dbraw/zinc/82/16/59/1321821659.db2.gz SLMSZOZKGXNIAM-OAQYLSRUSA-N 2 1 348.450 3.321 20 0 EGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(N2CCCOC2=O)cc1 ZINC000846922388 1321824201 /nfs/dbraw/zinc/82/42/01/1321824201.db2.gz WJMOPPJAHDDEMF-OAHLLOKOSA-N 2 1 342.443 3.050 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(Cl)c1Cl ZINC000849062632 1322063377 /nfs/dbraw/zinc/06/33/77/1322063377.db2.gz XNKIJNOOCVMLLY-LBPRGKRZSA-N 2 1 329.275 3.092 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849091402 1322074918 /nfs/dbraw/zinc/07/49/18/1322074918.db2.gz DGSYKKNGJVACGT-CQSZACIVSA-N 2 1 342.409 3.050 20 0 EGADMP C[C@]1(C[NH2+]Cc2ccnn2CC2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000850285926 1322222790 /nfs/dbraw/zinc/22/27/90/1322222790.db2.gz QVZWOPLYRSJXBD-OAQYLSRUSA-N 2 1 338.499 3.295 20 0 EGADMP C[C@]1(C[NH2+]Cc2ccnn2CC2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000850285926 1322222796 /nfs/dbraw/zinc/22/27/96/1322222796.db2.gz QVZWOPLYRSJXBD-OAQYLSRUSA-N 2 1 338.499 3.295 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850464354 1322252844 /nfs/dbraw/zinc/25/28/44/1322252844.db2.gz GHHWKRLAWYLFNA-SJORKVTESA-N 2 1 332.488 3.163 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+]CCCO[C@H]3CCCCO3)CC2)cc1 ZINC000922230357 1322483740 /nfs/dbraw/zinc/48/37/40/1322483740.db2.gz VFGVUXMRKFUGIS-FQEVSTJZSA-N 2 1 332.488 3.174 20 0 EGADMP c1ccc2c(c1)C[N@@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C[C@@H]1CCCN21 ZINC000923425567 1322749919 /nfs/dbraw/zinc/74/99/19/1322749919.db2.gz HSKLMONLEARXMT-QZNYNHHHSA-N 2 1 325.500 3.392 20 0 EGADMP c1cc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]CC4)CC3)n2)cs1 ZINC000923502976 1322763828 /nfs/dbraw/zinc/76/38/28/1322763828.db2.gz DGYDKVDNOJBACF-AWEZNQCLSA-N 2 1 346.500 3.400 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001024023702 1323081542 /nfs/dbraw/zinc/08/15/42/1323081542.db2.gz OEOPKHLOSHTGCK-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)NC(=O)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924635470 1323086421 /nfs/dbraw/zinc/08/64/21/1323086421.db2.gz SOBVUAKNIGUCIY-IHWFROFDSA-N 2 1 343.515 3.076 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001024045543 1323095759 /nfs/dbraw/zinc/09/57/59/1323095759.db2.gz KLXMAVZOJBCIET-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)C1 ZINC000924684662 1323112558 /nfs/dbraw/zinc/11/25/58/1323112558.db2.gz MDPWFXKSQDCNIU-JYRKZWEQSA-N 2 1 346.563 3.479 20 0 EGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000851939715 1323118860 /nfs/dbraw/zinc/11/88/60/1323118860.db2.gz HYRICTZQQFWWST-WBVHZDCISA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000851939715 1323118865 /nfs/dbraw/zinc/11/88/65/1323118865.db2.gz HYRICTZQQFWWST-WBVHZDCISA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000851939715 1323118871 /nfs/dbraw/zinc/11/88/71/1323118871.db2.gz HYRICTZQQFWWST-WBVHZDCISA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000851939715 1323118874 /nfs/dbraw/zinc/11/88/74/1323118874.db2.gz HYRICTZQQFWWST-WBVHZDCISA-N 2 1 344.421 3.196 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001024157318 1323179983 /nfs/dbraw/zinc/17/99/83/1323179983.db2.gz ZBNHLBZCHVVUIN-ICSRJNTNSA-N 2 1 349.563 3.127 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001024232374 1323220759 /nfs/dbraw/zinc/22/07/59/1323220759.db2.gz PYGQNJVVBFUEAQ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024470399 1323424593 /nfs/dbraw/zinc/42/45/93/1323424593.db2.gz ZMHSLHXJWVHHNX-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001024470399 1323424596 /nfs/dbraw/zinc/42/45/96/1323424596.db2.gz ZMHSLHXJWVHHNX-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001024470399 1323424603 /nfs/dbraw/zinc/42/46/03/1323424603.db2.gz ZMHSLHXJWVHHNX-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1 ZINC001024469565 1323424920 /nfs/dbraw/zinc/42/49/20/1323424920.db2.gz SZGMWHMGWTZBSB-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024469565 1323424921 /nfs/dbraw/zinc/42/49/21/1323424921.db2.gz SZGMWHMGWTZBSB-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024469565 1323424925 /nfs/dbraw/zinc/42/49/25/1323424925.db2.gz SZGMWHMGWTZBSB-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCCC1 ZINC001024514137 1323464782 /nfs/dbraw/zinc/46/47/82/1323464782.db2.gz VZDHYAXRVKKPQV-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCCC1 ZINC001024514137 1323464788 /nfs/dbraw/zinc/46/47/88/1323464788.db2.gz VZDHYAXRVKKPQV-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCCC1 ZINC001024514137 1323464790 /nfs/dbraw/zinc/46/47/90/1323464790.db2.gz VZDHYAXRVKKPQV-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2CCCC2)C1 ZINC001024613862 1323543082 /nfs/dbraw/zinc/54/30/82/1323543082.db2.gz CXTSZRVBNXVIKL-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CCCC2)C1 ZINC001024613862 1323543089 /nfs/dbraw/zinc/54/30/89/1323543089.db2.gz CXTSZRVBNXVIKL-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC2CCCC2)C1 ZINC001024613862 1323543092 /nfs/dbraw/zinc/54/30/92/1323543092.db2.gz CXTSZRVBNXVIKL-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CCCC2CCCC2)CC1 ZINC001024633583 1323560799 /nfs/dbraw/zinc/56/07/99/1323560799.db2.gz KZBDYZTVGPJURS-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCC1 ZINC001024693103 1323609665 /nfs/dbraw/zinc/60/96/65/1323609665.db2.gz WJZJQSULNPPPED-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCC1 ZINC001024693103 1323609669 /nfs/dbraw/zinc/60/96/69/1323609669.db2.gz WJZJQSULNPPPED-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCC1 ZINC001024693103 1323609674 /nfs/dbraw/zinc/60/96/74/1323609674.db2.gz WJZJQSULNPPPED-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711201 1323618191 /nfs/dbraw/zinc/61/81/91/1323618191.db2.gz IAFMKJQRTRNQMQ-VQIMIIECSA-N 2 1 349.494 3.081 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811603 1323714222 /nfs/dbraw/zinc/71/42/22/1323714222.db2.gz VBJWHMJAKPXMND-XLIONFOSSA-N 2 1 345.531 3.379 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001024812996 1323716902 /nfs/dbraw/zinc/71/69/02/1323716902.db2.gz VALQUXYDWUESLO-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001024812996 1323716907 /nfs/dbraw/zinc/71/69/07/1323716907.db2.gz VALQUXYDWUESLO-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001024812996 1323716919 /nfs/dbraw/zinc/71/69/19/1323716919.db2.gz VALQUXYDWUESLO-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001024902302 1323772271 /nfs/dbraw/zinc/77/22/71/1323772271.db2.gz NJQKFQDVBGIADS-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC1(C)CC(C[NH2+]C[C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001025085907 1323885540 /nfs/dbraw/zinc/88/55/40/1323885540.db2.gz XFMUNOJLYBYNPB-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001025160055 1323930559 /nfs/dbraw/zinc/93/05/59/1323930559.db2.gz WNFRGMKNKQRSLN-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CC1(Br)CC1 ZINC000859997458 1329124440 /nfs/dbraw/zinc/12/44/40/1329124440.db2.gz MFWDSRJHCLCGPA-UHFFFAOYSA-N 2 1 325.294 3.498 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025265010 1324078104 /nfs/dbraw/zinc/07/81/04/1324078104.db2.gz CUBYWVNLVMXXQE-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025265010 1324078109 /nfs/dbraw/zinc/07/81/09/1324078109.db2.gz CUBYWVNLVMXXQE-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001025265010 1324078117 /nfs/dbraw/zinc/07/81/17/1324078117.db2.gz CUBYWVNLVMXXQE-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293525 1324120037 /nfs/dbraw/zinc/12/00/37/1324120037.db2.gz CZKOMFBPGQICGB-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001025470619 1324317241 /nfs/dbraw/zinc/31/72/41/1324317241.db2.gz ZCNNVNZIYFIOSB-MSOLQXFVSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557239 1324406701 /nfs/dbraw/zinc/40/67/01/1324406701.db2.gz FPRSSOKNVFQAKK-PXNSSMCTSA-N 2 1 345.531 3.379 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001026503193 1324853525 /nfs/dbraw/zinc/85/35/25/1324853525.db2.gz NGOOILFEEXBMSQ-SOAGJPPSSA-N 2 1 347.547 3.378 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001026515846 1324862623 /nfs/dbraw/zinc/86/26/23/1324862623.db2.gz MHMJAERAYHWZNP-CTWPCTMYSA-N 2 1 347.547 3.068 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NC2CCC([NH2+]CC3=CCCCC3)CC2)C1 ZINC001026560544 1324896264 /nfs/dbraw/zinc/89/62/64/1324896264.db2.gz UYVVYUGFBPQGSJ-UHFFFAOYSA-N 2 1 347.547 3.236 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001026561124 1324896293 /nfs/dbraw/zinc/89/62/93/1324896293.db2.gz PCSYVQMHGKXEGK-IPJUCJBFSA-N 2 1 347.547 3.068 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NC2CCC([NH2+]CCC3=CCCCC3)CC2)C1 ZINC001026561138 1324896678 /nfs/dbraw/zinc/89/66/78/1324896678.db2.gz PMGVVXJWBVZVNE-KKXNLOMOSA-N 2 1 347.547 3.236 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001026606007 1324927581 /nfs/dbraw/zinc/92/75/81/1324927581.db2.gz MTAYTUYMXKBISO-UHFFFAOYSA-N 2 1 346.519 3.179 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001026887840 1325063008 /nfs/dbraw/zinc/06/30/08/1325063008.db2.gz WIOSFQOUATVZKT-IEBWSBKVSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925441054 1325151330 /nfs/dbraw/zinc/15/13/30/1325151330.db2.gz XJWDHAZSEARPSY-OTWHNJEPSA-N 3 1 347.547 3.288 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925441052 1325151783 /nfs/dbraw/zinc/15/17/83/1325151783.db2.gz XJWDHAZSEARPSY-CEXWTWQISA-N 3 1 347.547 3.288 20 0 EGADMP C[C@H](CC[S@](C)=O)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925517327 1325186546 /nfs/dbraw/zinc/18/65/46/1325186546.db2.gz ADAPXHDATMXPTE-PNZHIRFKSA-N 2 1 348.556 3.319 20 0 EGADMP C[C@H](CC[S@](C)=O)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925517327 1325186549 /nfs/dbraw/zinc/18/65/49/1325186549.db2.gz ADAPXHDATMXPTE-PNZHIRFKSA-N 2 1 348.556 3.319 20 0 EGADMP C[C@@H](CC[S@](C)=O)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925517321 1325186563 /nfs/dbraw/zinc/18/65/63/1325186563.db2.gz ADAPXHDATMXPTE-JBMBACFZSA-N 2 1 348.556 3.319 20 0 EGADMP C[C@@H](CC[S@](C)=O)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925517321 1325186569 /nfs/dbraw/zinc/18/65/69/1325186569.db2.gz ADAPXHDATMXPTE-JBMBACFZSA-N 2 1 348.556 3.319 20 0 EGADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C23CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000925542712 1325199932 /nfs/dbraw/zinc/19/99/32/1325199932.db2.gz OICBEPHAFORGGZ-YZGWKJHDSA-N 2 1 327.516 3.304 20 0 EGADMP Cc1nonc1[C@H](C)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000925617573 1325232717 /nfs/dbraw/zinc/23/27/17/1325232717.db2.gz XJSGNUGHVKKKBW-VKJFTORMSA-N 2 1 328.460 3.329 20 0 EGADMP CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000963833620 1325405854 /nfs/dbraw/zinc/40/58/54/1325405854.db2.gz YGQVLTUIMQVVLR-FAFZWHIHSA-N 2 1 335.536 3.163 20 0 EGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000856930483 1325542456 /nfs/dbraw/zinc/54/24/56/1325542456.db2.gz WNIIOAGNOVQGCS-YLJYHZDGSA-N 2 1 343.515 3.100 20 0 EGADMP CC(C)[C@@H](CO)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926420481 1325547774 /nfs/dbraw/zinc/54/77/74/1325547774.db2.gz JBHADCIJBDDXAK-WVVQBRDUSA-N 2 1 330.516 3.426 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857143994 1325580172 /nfs/dbraw/zinc/58/01/72/1325580172.db2.gz CVAXVNPHOZHAOX-PMACEKPBSA-N 2 1 343.515 3.052 20 0 EGADMP CC[NH+]1CCC[C@H]1CN(C)C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857143994 1325580179 /nfs/dbraw/zinc/58/01/79/1325580179.db2.gz CVAXVNPHOZHAOX-PMACEKPBSA-N 2 1 343.515 3.052 20 0 EGADMP CC[NH+]1CCC[C@H]1CN(C)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857143994 1325580185 /nfs/dbraw/zinc/58/01/85/1325580185.db2.gz CVAXVNPHOZHAOX-PMACEKPBSA-N 2 1 343.515 3.052 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1cccc(C[NH+](C)C)c1 ZINC000926583530 1327624639 /nfs/dbraw/zinc/62/46/39/1327624639.db2.gz QXLVRVBAOYNFBA-HNNXBMFYSA-N 2 1 346.496 3.003 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCC2CCCC2)C1 ZINC001027433274 1327672359 /nfs/dbraw/zinc/67/23/59/1327672359.db2.gz VXFBVVCIOZIALJ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027433274 1327672369 /nfs/dbraw/zinc/67/23/69/1327672369.db2.gz VXFBVVCIOZIALJ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027433274 1327672379 /nfs/dbraw/zinc/67/23/79/1327672379.db2.gz VXFBVVCIOZIALJ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CC1CCC1)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027442335 1327682128 /nfs/dbraw/zinc/68/21/28/1327682128.db2.gz DLXWBYOCUORZHL-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CCC1)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001027442335 1327682134 /nfs/dbraw/zinc/68/21/34/1327682134.db2.gz DLXWBYOCUORZHL-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CCC1)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001027442335 1327682142 /nfs/dbraw/zinc/68/21/42/1327682142.db2.gz DLXWBYOCUORZHL-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@@H+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027464869 1327715886 /nfs/dbraw/zinc/71/58/86/1327715886.db2.gz IMWVAPDOZHOTOX-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001027464869 1327715894 /nfs/dbraw/zinc/71/58/94/1327715894.db2.gz IMWVAPDOZHOTOX-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001027464869 1327715902 /nfs/dbraw/zinc/71/59/02/1327715902.db2.gz IMWVAPDOZHOTOX-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCC2)C1 ZINC001027473639 1327730385 /nfs/dbraw/zinc/73/03/85/1327730385.db2.gz PQRLEJLGBIADPK-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC001027473639 1327730394 /nfs/dbraw/zinc/73/03/94/1327730394.db2.gz PQRLEJLGBIADPK-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027473639 1327730401 /nfs/dbraw/zinc/73/04/01/1327730401.db2.gz PQRLEJLGBIADPK-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH+](C)CCC3CCCCC3)C2)C1 ZINC001027576368 1327913905 /nfs/dbraw/zinc/91/39/05/1327913905.db2.gz NNTXHMZUGWPTTL-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H]([N@H+](C)CCC3CCCCC3)C2)C1 ZINC001027576368 1327913917 /nfs/dbraw/zinc/91/39/17/1327913917.db2.gz NNTXHMZUGWPTTL-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H]([N@@H+](C)CCC3CCCCC3)C2)C1 ZINC001027576368 1327913920 /nfs/dbraw/zinc/91/39/20/1327913920.db2.gz NNTXHMZUGWPTTL-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CCc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)cc1 ZINC001027578179 1327914865 /nfs/dbraw/zinc/91/48/65/1327914865.db2.gz FVLGJQCOAIRETB-PMACEKPBSA-N 2 1 345.531 3.012 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC[C@H]([N@@H+](C)CC3CCCCC3)C2)CC1 ZINC001027628729 1327992198 /nfs/dbraw/zinc/99/21/98/1327992198.db2.gz JLSJCRWSPDJTAK-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1csc(C)c1 ZINC001027919647 1328400107 /nfs/dbraw/zinc/40/01/07/1328400107.db2.gz ZDQFDQOPQSDULD-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1csc(C)c1 ZINC001027919647 1328400116 /nfs/dbraw/zinc/40/01/16/1328400116.db2.gz ZDQFDQOPQSDULD-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1csc(C)c1 ZINC001027919647 1328400120 /nfs/dbraw/zinc/40/01/20/1328400120.db2.gz ZDQFDQOPQSDULD-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027929877 1328408721 /nfs/dbraw/zinc/40/87/21/1328408721.db2.gz KNQMZQHEVMVOKS-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929877 1328408727 /nfs/dbraw/zinc/40/87/27/1328408727.db2.gz KNQMZQHEVMVOKS-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001027929877 1328408741 /nfs/dbraw/zinc/40/87/41/1328408741.db2.gz KNQMZQHEVMVOKS-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001027986568 1328457537 /nfs/dbraw/zinc/45/75/37/1328457537.db2.gz YNQHLQQNCZQKJC-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001027986568 1328457547 /nfs/dbraw/zinc/45/75/47/1328457547.db2.gz YNQHLQQNCZQKJC-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001027986568 1328457551 /nfs/dbraw/zinc/45/75/51/1328457551.db2.gz YNQHLQQNCZQKJC-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CCCC1CCC1)c1ccc2c[nH+]cn2c1 ZINC001028028657 1328490571 /nfs/dbraw/zinc/49/05/71/1328490571.db2.gz CWBFHZMESIQPDV-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000862483284 1329490291 /nfs/dbraw/zinc/49/02/91/1329490291.db2.gz RZYJIYOAHHCODC-AQFXKWCLSA-N 2 1 339.524 3.001 20 0 EGADMP CC[NH+](CC)CC1CC[NH+](CN2C[C@@H](c3ccccc3)OC2=O)CC1 ZINC000863261112 1329540995 /nfs/dbraw/zinc/54/09/95/1329540995.db2.gz XXRNANHBWNWNPL-IBGZPJMESA-N 2 1 345.487 3.191 20 0 EGADMP CC(C)CC[C@H]([NH3+])c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000863661226 1329572034 /nfs/dbraw/zinc/57/20/34/1329572034.db2.gz KKTPJPFRFXDBMO-HNNXBMFYSA-N 2 1 332.448 3.113 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2OC)C1 ZINC000932635325 1329829324 /nfs/dbraw/zinc/82/93/24/1329829324.db2.gz IDTGVNZPSUGIDH-QGZVFWFLSA-N 2 1 347.503 3.078 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2OC)C1 ZINC000932635325 1329829325 /nfs/dbraw/zinc/82/93/25/1329829325.db2.gz IDTGVNZPSUGIDH-QGZVFWFLSA-N 2 1 347.503 3.078 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932700791 1329835079 /nfs/dbraw/zinc/83/50/79/1329835079.db2.gz BAPQJFMPGRJLKB-DLBZAZTESA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932700791 1329835081 /nfs/dbraw/zinc/83/50/81/1329835081.db2.gz BAPQJFMPGRJLKB-DLBZAZTESA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932700791 1329835082 /nfs/dbraw/zinc/83/50/82/1329835082.db2.gz BAPQJFMPGRJLKB-DLBZAZTESA-N 2 1 339.524 3.098 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000933455187 1329890704 /nfs/dbraw/zinc/89/07/04/1329890704.db2.gz DCAMTCZURZERPB-JFIYKMOQSA-N 2 1 349.544 3.120 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000933455187 1329890706 /nfs/dbraw/zinc/89/07/06/1329890706.db2.gz DCAMTCZURZERPB-JFIYKMOQSA-N 2 1 349.544 3.120 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000933455187 1329890708 /nfs/dbraw/zinc/89/07/08/1329890708.db2.gz DCAMTCZURZERPB-JFIYKMOQSA-N 2 1 349.544 3.120 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000934279120 1329961132 /nfs/dbraw/zinc/96/11/32/1329961132.db2.gz VXWRDAOPAYDINT-RLLQIKCJSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000934279120 1329961134 /nfs/dbraw/zinc/96/11/34/1329961134.db2.gz VXWRDAOPAYDINT-RLLQIKCJSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000934279120 1329961135 /nfs/dbraw/zinc/96/11/35/1329961135.db2.gz VXWRDAOPAYDINT-RLLQIKCJSA-N 2 1 343.515 3.029 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3c(F)cccc32)CC1 ZINC000866231888 1330081286 /nfs/dbraw/zinc/08/12/86/1330081286.db2.gz BVENQKBUFWVJKM-HXUWFJFHSA-N 2 1 333.495 3.210 20 0 EGADMP CC(C)(C)[NH2+]CCC(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000935919535 1330095020 /nfs/dbraw/zinc/09/50/20/1330095020.db2.gz IGWGHMWQPRFQFG-QGZVFWFLSA-N 2 1 343.471 3.005 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942518504 1331950618 /nfs/dbraw/zinc/95/06/18/1331950618.db2.gz SMEVPVLDIOFPIK-BEFAXECRSA-N 2 1 342.487 3.211 20 0 EGADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556169 1331971635 /nfs/dbraw/zinc/97/16/35/1331971635.db2.gz WKDZFOBQSPDVIH-MJGOQNOKSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[N@@H+](CC2=CCCCC2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821365 1332042316 /nfs/dbraw/zinc/04/23/16/1332042316.db2.gz DVKHPHGVARVRCN-HKUYNNGSSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1C[NH+](CC2=CCCCC2)CC[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821365 1332042317 /nfs/dbraw/zinc/04/23/17/1332042317.db2.gz DVKHPHGVARVRCN-HKUYNNGSSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1C[NH+](CC2=CCCCC2)CC[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821365 1332042319 /nfs/dbraw/zinc/04/23/19/1332042319.db2.gz DVKHPHGVARVRCN-HKUYNNGSSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902370 1332928673 /nfs/dbraw/zinc/92/86/73/1332928673.db2.gz MOLVUSHEXLLRRL-VNTMZGSJSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC[C@@H]2C1 ZINC000946902370 1332928675 /nfs/dbraw/zinc/92/86/75/1332928675.db2.gz MOLVUSHEXLLRRL-VNTMZGSJSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC[C@@H]2C1 ZINC000946902370 1332928679 /nfs/dbraw/zinc/92/86/79/1332928679.db2.gz MOLVUSHEXLLRRL-VNTMZGSJSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947362460 1333104145 /nfs/dbraw/zinc/10/41/45/1333104145.db2.gz XDKKWOKABLOMKQ-HOCLYGCPSA-N 2 1 337.533 3.193 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CC1CCCCC1 ZINC000947725701 1333241354 /nfs/dbraw/zinc/24/13/54/1333241354.db2.gz BXBDVIDCZNEQMJ-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC1CCCCC1 ZINC000947725701 1333241356 /nfs/dbraw/zinc/24/13/56/1333241356.db2.gz BXBDVIDCZNEQMJ-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CC1CCCCC1 ZINC000947725701 1333241358 /nfs/dbraw/zinc/24/13/58/1333241358.db2.gz BXBDVIDCZNEQMJ-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@H](C)C1 ZINC000947771504 1333256196 /nfs/dbraw/zinc/25/61/96/1333256196.db2.gz MOVMBMQBVJLOMJ-AEFFLSMTSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@H](C)C1 ZINC000947771504 1333256202 /nfs/dbraw/zinc/25/62/02/1333256202.db2.gz MOVMBMQBVJLOMJ-AEFFLSMTSA-N 2 1 346.519 3.166 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001197141309 1368753473 /nfs/dbraw/zinc/75/34/73/1368753473.db2.gz GJIISGMZVVWQPE-GOSISDBHSA-N 2 1 325.541 3.221 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC1CCC2(CC2)CC1 ZINC000948040860 1333350287 /nfs/dbraw/zinc/35/02/87/1333350287.db2.gz UXQRCRUJDNTIHK-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1C/C=C\Cl ZINC000948055433 1333357183 /nfs/dbraw/zinc/35/71/83/1333357183.db2.gz BXJPLWVREQONQB-WMJDKPPMSA-N 2 1 349.906 3.083 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948057505 1333358234 /nfs/dbraw/zinc/35/82/34/1333358234.db2.gz WRDAGSIGBNAIIZ-LPHOPBHVSA-N 2 1 331.504 3.131 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC000948077012 1333367365 /nfs/dbraw/zinc/36/73/65/1333367365.db2.gz AHQLWQSOGBVDAH-JKSUJKDBSA-N 2 1 335.492 3.114 20 0 EGADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000948374780 1333501028 /nfs/dbraw/zinc/50/10/28/1333501028.db2.gz YNUCBUUUDPDSJZ-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439168 1333525225 /nfs/dbraw/zinc/52/52/25/1333525225.db2.gz IWXGLFYEYOKDEZ-IEBWSBKVSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439168 1333525227 /nfs/dbraw/zinc/52/52/27/1333525227.db2.gz IWXGLFYEYOKDEZ-IEBWSBKVSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439168 1333525228 /nfs/dbraw/zinc/52/52/28/1333525228.db2.gz IWXGLFYEYOKDEZ-IEBWSBKVSA-N 2 1 335.536 3.115 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC000948553855 1333572173 /nfs/dbraw/zinc/57/21/73/1333572173.db2.gz NJSKKDBBLHQURG-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC000948553855 1333572176 /nfs/dbraw/zinc/57/21/76/1333572176.db2.gz NJSKKDBBLHQURG-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC000948553855 1333572177 /nfs/dbraw/zinc/57/21/77/1333572177.db2.gz NJSKKDBBLHQURG-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948673644 1333623317 /nfs/dbraw/zinc/62/33/17/1333623317.db2.gz FFKNZSXUJKQFKQ-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948674448 1333623606 /nfs/dbraw/zinc/62/36/06/1333623606.db2.gz XULYRIGRPPBFGJ-GOSISDBHSA-N 2 1 335.536 3.140 20 0 EGADMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000948743086 1333654963 /nfs/dbraw/zinc/65/49/63/1333654963.db2.gz OVWMDFHKDCFWEJ-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CCC[NH+](CCC(C)(C)C)CC2)C1 ZINC000948765666 1333668202 /nfs/dbraw/zinc/66/82/02/1333668202.db2.gz AZDYNQSAYBOAMI-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@H+](CCC(C)(C)C)CC2)C1 ZINC000948765666 1333668204 /nfs/dbraw/zinc/66/82/04/1333668204.db2.gz AZDYNQSAYBOAMI-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@@H+](CCC(C)(C)C)CC2)C1 ZINC000948765666 1333668205 /nfs/dbraw/zinc/66/82/05/1333668205.db2.gz AZDYNQSAYBOAMI-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CCC[NH+](CCCC3CCC3)CC2)C1 ZINC000948767721 1333670123 /nfs/dbraw/zinc/67/01/23/1333670123.db2.gz ZXXPJVDTWPNOPK-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@H+](CCCC3CCC3)CC2)C1 ZINC000948767721 1333670129 /nfs/dbraw/zinc/67/01/29/1333670129.db2.gz ZXXPJVDTWPNOPK-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@@H+](CCCC3CCC3)CC2)C1 ZINC000948767721 1333670131 /nfs/dbraw/zinc/67/01/31/1333670131.db2.gz ZXXPJVDTWPNOPK-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000948854277 1333710173 /nfs/dbraw/zinc/71/01/73/1333710173.db2.gz LRTIREFVFAMUGK-MOPGFXCFSA-N 2 1 343.515 3.075 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN([C@H](C)c3ccccc3)C2)CC[N@H+]1C ZINC000950370696 1334052903 /nfs/dbraw/zinc/05/29/03/1334052903.db2.gz DZOCGXZTIITDFP-LSTHTHJFSA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+]([C@H](C)c3ccccc3)C2)CC[N@@H+]1C ZINC000950370696 1334052906 /nfs/dbraw/zinc/05/29/06/1334052906.db2.gz DZOCGXZTIITDFP-LSTHTHJFSA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+]([C@H](C)c3ccccc3)C2)CC[N@H+]1C ZINC000950370696 1334052908 /nfs/dbraw/zinc/05/29/08/1334052908.db2.gz DZOCGXZTIITDFP-LSTHTHJFSA-N 2 1 343.515 3.011 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1C[NH+](CC2CCC2)C1 ZINC000951361350 1334230691 /nfs/dbraw/zinc/23/06/91/1334230691.db2.gz AIWSKLIFMGGXHP-HXUWFJFHSA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1C[NH+](CC2CCC2)C1 ZINC000951361350 1334230695 /nfs/dbraw/zinc/23/06/95/1334230695.db2.gz AIWSKLIFMGGXHP-HXUWFJFHSA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC000951382608 1334235300 /nfs/dbraw/zinc/23/53/00/1334235300.db2.gz AXBLOZYUZOSWFM-LNLFQRSKSA-N 2 1 343.515 3.011 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC000951382608 1334235305 /nfs/dbraw/zinc/23/53/05/1334235305.db2.gz AXBLOZYUZOSWFM-LNLFQRSKSA-N 2 1 343.515 3.011 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C1C[NH+](CC2CCCCC2)C1 ZINC000952401738 1334449367 /nfs/dbraw/zinc/44/93/67/1334449367.db2.gz FQSSBVDVLKENPZ-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1C[NH+](CCC2CCCC2)C1 ZINC000952443827 1334460864 /nfs/dbraw/zinc/46/08/64/1334460864.db2.gz DAPZZUFPKVLXPM-UYAOXDASSA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1C[NH+](CCCC2CCC2)C1 ZINC000952444195 1334460881 /nfs/dbraw/zinc/46/08/81/1334460881.db2.gz JMKADVDXAFVNKP-AZUAARDMSA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1C[NH+](CCCC2CCC2)C1 ZINC000952444195 1334460884 /nfs/dbraw/zinc/46/08/84/1334460884.db2.gz JMKADVDXAFVNKP-AZUAARDMSA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967396869 1335725524 /nfs/dbraw/zinc/72/55/24/1335725524.db2.gz IUBWRPWRAQGXSD-KXBFYZLASA-N 2 1 342.487 3.211 20 0 EGADMP C[C@@H]1CC[N@@H+](CCCC2CCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000967708780 1335805492 /nfs/dbraw/zinc/80/54/92/1335805492.db2.gz VRHMVZDXZOIORJ-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[N@@H+](CCCC2CCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968331960 1335892256 /nfs/dbraw/zinc/89/22/56/1335892256.db2.gz SNHARYFBLOFYGU-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CCCC2CCC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000968331960 1335892258 /nfs/dbraw/zinc/89/22/58/1335892258.db2.gz SNHARYFBLOFYGU-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CCCC2CCC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000968331960 1335892260 /nfs/dbraw/zinc/89/22/60/1335892260.db2.gz SNHARYFBLOFYGU-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC2CCCC2)CC[C@H]1C ZINC000968379156 1335910817 /nfs/dbraw/zinc/91/08/17/1335910817.db2.gz VTJLXTOEMOKSCH-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC2CCCC2)CC[C@H]1C ZINC000968379156 1335910822 /nfs/dbraw/zinc/91/08/22/1335910822.db2.gz VTJLXTOEMOKSCH-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968856148 1336069741 /nfs/dbraw/zinc/06/97/41/1336069741.db2.gz FKFQEFIZCMAWLY-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(NC[C@H]1CCCCC[N@@H+]1C/C=C/Cl)c1ccn2c[nH+]cc2c1 ZINC000968936594 1336096503 /nfs/dbraw/zinc/09/65/03/1336096503.db2.gz LWQKPCKNHYWKLA-IEXSPKMKSA-N 2 1 346.862 3.061 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC(C)C)C1 ZINC000968990707 1336112359 /nfs/dbraw/zinc/11/23/59/1336112359.db2.gz KZZFUMRTDVZHER-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC(C)C)C1 ZINC000968990707 1336112360 /nfs/dbraw/zinc/11/23/60/1336112360.db2.gz KZZFUMRTDVZHER-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC(C)C)C1 ZINC000968990707 1336112363 /nfs/dbraw/zinc/11/23/63/1336112363.db2.gz KZZFUMRTDVZHER-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969153589 1336164626 /nfs/dbraw/zinc/16/46/26/1336164626.db2.gz KQFRBZITGFMDOU-HXUWFJFHSA-N 2 1 345.531 3.379 20 0 EGADMP Cc1c(C)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC001205318531 1370720119 /nfs/dbraw/zinc/72/01/19/1370720119.db2.gz VUBJIXYYQVSALT-NHYWBVRUSA-N 2 1 325.294 3.483 20 0 EGADMP Cc1c(C)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC001205318531 1370720120 /nfs/dbraw/zinc/72/01/20/1370720120.db2.gz VUBJIXYYQVSALT-NHYWBVRUSA-N 2 1 325.294 3.483 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CCC3CCCCC3)C2)CC[N@H+]1C ZINC000969706749 1336238554 /nfs/dbraw/zinc/23/85/54/1336238554.db2.gz OYTJWIQKFPGDFP-LSTHTHJFSA-N 2 1 349.563 3.124 20 0 EGADMP CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CC[NH+](CC2CCCC2)CC1 ZINC001005585344 1336376306 /nfs/dbraw/zinc/37/63/06/1336376306.db2.gz RVDXSBQCEKOGPV-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Br)CC[C@H]1C[NH3+] ZINC001205618294 1370812765 /nfs/dbraw/zinc/81/27/65/1370812765.db2.gz UGSPGSUHQUNPCW-NEPJUHHUSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001005996735 1336435658 /nfs/dbraw/zinc/43/56/58/1336435658.db2.gz MOYRIETTWHAOTM-GOSISDBHSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001007457130 1336650402 /nfs/dbraw/zinc/65/04/02/1336650402.db2.gz IORXAIJZAWWIKQ-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001007457130 1336650404 /nfs/dbraw/zinc/65/04/04/1336650404.db2.gz IORXAIJZAWWIKQ-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001007457130 1336650406 /nfs/dbraw/zinc/65/04/06/1336650406.db2.gz IORXAIJZAWWIKQ-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[NH+](CC2CCCC2)C1 ZINC001007498958 1336658623 /nfs/dbraw/zinc/65/86/23/1336658623.db2.gz MWLDVHPQCOHUKK-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001007498958 1336658626 /nfs/dbraw/zinc/65/86/26/1336658626.db2.gz MWLDVHPQCOHUKK-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001007498958 1336658629 /nfs/dbraw/zinc/65/86/29/1336658629.db2.gz MWLDVHPQCOHUKK-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007498685 1336658815 /nfs/dbraw/zinc/65/88/15/1336658815.db2.gz LOESSXNLCINIGL-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007498685 1336658817 /nfs/dbraw/zinc/65/88/17/1336658817.db2.gz LOESSXNLCINIGL-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001007498685 1336658819 /nfs/dbraw/zinc/65/88/19/1336658819.db2.gz LOESSXNLCINIGL-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1c(Br)[nH]c2ccccc21 ZINC001205913103 1370908379 /nfs/dbraw/zinc/90/83/79/1370908379.db2.gz HABQAMVFRLOPDN-NEPJUHHUSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c(Br)[nH]c2ccccc21 ZINC001205913103 1370908383 /nfs/dbraw/zinc/90/83/83/1370908383.db2.gz HABQAMVFRLOPDN-NEPJUHHUSA-N 2 1 336.277 3.490 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007744347 1336693506 /nfs/dbraw/zinc/69/35/06/1336693506.db2.gz JABAFVWJBQEZAT-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001007744347 1336693509 /nfs/dbraw/zinc/69/35/09/1336693509.db2.gz JABAFVWJBQEZAT-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001007744347 1336693514 /nfs/dbraw/zinc/69/35/14/1336693514.db2.gz JABAFVWJBQEZAT-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001007786089 1336699824 /nfs/dbraw/zinc/69/98/24/1336699824.db2.gz JOLUFTKBWZTZCD-IBGZPJMESA-N 2 1 347.547 3.166 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007801905 1336703688 /nfs/dbraw/zinc/70/36/88/1336703688.db2.gz UNURABASDLSOEK-LPHOPBHVSA-N 2 1 348.450 3.290 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001008529239 1336876279 /nfs/dbraw/zinc/87/62/79/1336876279.db2.gz DVBZTZQOHUVQMP-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001008529239 1336876281 /nfs/dbraw/zinc/87/62/81/1336876281.db2.gz DVBZTZQOHUVQMP-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001008529239 1336876284 /nfs/dbraw/zinc/87/62/84/1336876284.db2.gz DVBZTZQOHUVQMP-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001008749284 1336919787 /nfs/dbraw/zinc/91/97/87/1336919787.db2.gz RYDYIEMGGGYLAN-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001008749296 1336919949 /nfs/dbraw/zinc/91/99/49/1336919949.db2.gz RYDYIEMGGGYLAN-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001008767987 1336923365 /nfs/dbraw/zinc/92/33/65/1336923365.db2.gz MHJOOQGVBOXCTE-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001008767987 1336923367 /nfs/dbraw/zinc/92/33/67/1336923367.db2.gz MHJOOQGVBOXCTE-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001008767987 1336923370 /nfs/dbraw/zinc/92/33/70/1336923370.db2.gz MHJOOQGVBOXCTE-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008883154 1336937542 /nfs/dbraw/zinc/93/75/42/1336937542.db2.gz PVUKRURDCBFEPN-FQEVSTJZSA-N 2 1 345.531 3.379 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001009050608 1336960650 /nfs/dbraw/zinc/96/06/50/1336960650.db2.gz MJAPGNCBDYKREV-LJQANCHMSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001009054367 1336961088 /nfs/dbraw/zinc/96/10/88/1336961088.db2.gz ZFAPVVLFICZRGY-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1)C12CC[NH+](CC1)C2 ZINC001009227884 1336988899 /nfs/dbraw/zinc/98/88/99/1336988899.db2.gz WNSSNOBWFRLSOC-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001009524944 1337032948 /nfs/dbraw/zinc/03/29/48/1337032948.db2.gz RKFZXEBOSRIXSW-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001009524944 1337032951 /nfs/dbraw/zinc/03/29/51/1337032951.db2.gz RKFZXEBOSRIXSW-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014391182 1337764203 /nfs/dbraw/zinc/76/42/03/1337764203.db2.gz BPIHOMQBPRAYHC-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001014391182 1337764216 /nfs/dbraw/zinc/76/42/16/1337764216.db2.gz BPIHOMQBPRAYHC-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001014391182 1337764218 /nfs/dbraw/zinc/76/42/18/1337764218.db2.gz BPIHOMQBPRAYHC-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014413552 1337770498 /nfs/dbraw/zinc/77/04/98/1337770498.db2.gz LWLKNZBHTVNUEV-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001014413552 1337770502 /nfs/dbraw/zinc/77/05/02/1337770502.db2.gz LWLKNZBHTVNUEV-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001014413552 1337770505 /nfs/dbraw/zinc/77/05/05/1337770505.db2.gz LWLKNZBHTVNUEV-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014413561 1337770947 /nfs/dbraw/zinc/77/09/47/1337770947.db2.gz LWLKNZBHTVNUEV-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001014413561 1337770949 /nfs/dbraw/zinc/77/09/49/1337770949.db2.gz LWLKNZBHTVNUEV-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001014413561 1337770952 /nfs/dbraw/zinc/77/09/52/1337770952.db2.gz LWLKNZBHTVNUEV-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CCCC2CCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001014728088 1337889104 /nfs/dbraw/zinc/88/91/04/1337889104.db2.gz LBGILVPEXOSZQP-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CC[NH+](CCCC2CCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001014728088 1337889107 /nfs/dbraw/zinc/88/91/07/1337889107.db2.gz LBGILVPEXOSZQP-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CC[NH+](CCCC2CCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001014728088 1337889112 /nfs/dbraw/zinc/88/91/12/1337889112.db2.gz LBGILVPEXOSZQP-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001015056672 1338004411 /nfs/dbraw/zinc/00/44/11/1338004411.db2.gz HRKKGUGPEPPVNG-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001015056672 1338004413 /nfs/dbraw/zinc/00/44/13/1338004413.db2.gz HRKKGUGPEPPVNG-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001015056672 1338004415 /nfs/dbraw/zinc/00/44/15/1338004415.db2.gz HRKKGUGPEPPVNG-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CCC2CCCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001015090768 1338014042 /nfs/dbraw/zinc/01/40/42/1338014042.db2.gz RSYBJDSSFYGMQQ-IBGZPJMESA-N 2 1 347.547 3.166 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001015112013 1338022651 /nfs/dbraw/zinc/02/26/51/1338022651.db2.gz AXNKXHWFXRUVTM-APWZRJJASA-N 2 1 348.450 3.208 20 0 EGADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CCC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001015503444 1338162130 /nfs/dbraw/zinc/16/21/30/1338162130.db2.gz JZMUIUSGDPTDPO-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001015622371 1338211742 /nfs/dbraw/zinc/21/17/42/1338211742.db2.gz GJXNDCHQDDPEAW-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001015622371 1338211745 /nfs/dbraw/zinc/21/17/45/1338211745.db2.gz GJXNDCHQDDPEAW-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCC3CCCC3)C2)cc1 ZINC001015840383 1338331889 /nfs/dbraw/zinc/33/18/89/1338331889.db2.gz WNHWPFVDUHJTQS-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001015973932 1338385743 /nfs/dbraw/zinc/38/57/43/1338385743.db2.gz VAWIOQZGHAETSZ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001015973932 1338385748 /nfs/dbraw/zinc/38/57/48/1338385748.db2.gz VAWIOQZGHAETSZ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001015973932 1338385754 /nfs/dbraw/zinc/38/57/54/1338385754.db2.gz VAWIOQZGHAETSZ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001016340279 1338555421 /nfs/dbraw/zinc/55/54/21/1338555421.db2.gz WFBLDBLTSKEAFU-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001016340279 1338555425 /nfs/dbraw/zinc/55/54/25/1338555425.db2.gz WFBLDBLTSKEAFU-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001016340279 1338555426 /nfs/dbraw/zinc/55/54/26/1338555426.db2.gz WFBLDBLTSKEAFU-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001016623308 1338667898 /nfs/dbraw/zinc/66/78/98/1338667898.db2.gz CWHKWGJJKFZWNQ-HKUYNNGSSA-N 2 1 347.547 3.020 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001016631340 1338669280 /nfs/dbraw/zinc/66/92/80/1338669280.db2.gz REZSIOBIAIFBIX-OTWHNJEPSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016862482 1338751405 /nfs/dbraw/zinc/75/14/05/1338751405.db2.gz ZZWJYTVDSGARAT-MOPGFXCFSA-N 2 1 347.547 3.186 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016986427 1338793764 /nfs/dbraw/zinc/79/37/64/1338793764.db2.gz QWSQOANYJXVGGD-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001017129108 1338884790 /nfs/dbraw/zinc/88/47/90/1338884790.db2.gz XVQMKPOVMWYCMY-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001017129108 1338884793 /nfs/dbraw/zinc/88/47/93/1338884793.db2.gz XVQMKPOVMWYCMY-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001017129108 1338884796 /nfs/dbraw/zinc/88/47/96/1338884796.db2.gz XVQMKPOVMWYCMY-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)Cc2cccc(C)c2)C1)[NH+](C)C ZINC001017213422 1338957619 /nfs/dbraw/zinc/95/76/19/1338957619.db2.gz SKRXGXDWHGUGAJ-UXHICEINSA-N 2 1 345.531 3.006 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001017706725 1339395744 /nfs/dbraw/zinc/39/57/44/1339395744.db2.gz VIEHSGOWDFXSQP-HDICACEKSA-N 2 1 340.471 3.059 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001018024964 1339485142 /nfs/dbraw/zinc/48/51/42/1339485142.db2.gz DKTOADQXCWRZHB-HSALFYBXSA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001018024964 1339485143 /nfs/dbraw/zinc/48/51/43/1339485143.db2.gz DKTOADQXCWRZHB-HSALFYBXSA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001018024964 1339485145 /nfs/dbraw/zinc/48/51/45/1339485145.db2.gz DKTOADQXCWRZHB-HSALFYBXSA-N 2 1 349.563 3.361 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCC2CCCC2)C1 ZINC001028087824 1340417901 /nfs/dbraw/zinc/41/79/01/1340417901.db2.gz AIJFZTXWYBSEAX-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCC2CCCC2)C1 ZINC001028087824 1340417905 /nfs/dbraw/zinc/41/79/05/1340417905.db2.gz AIJFZTXWYBSEAX-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCC2CCCC2)C1 ZINC001028087824 1340417908 /nfs/dbraw/zinc/41/79/08/1340417908.db2.gz AIJFZTXWYBSEAX-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093037 1340421451 /nfs/dbraw/zinc/42/14/51/1340421451.db2.gz GKBXFAHNXIKDHY-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093037 1340421452 /nfs/dbraw/zinc/42/14/52/1340421452.db2.gz GKBXFAHNXIKDHY-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093037 1340421455 /nfs/dbraw/zinc/42/14/55/1340421455.db2.gz GKBXFAHNXIKDHY-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001028335072 1340572748 /nfs/dbraw/zinc/57/27/48/1340572748.db2.gz NLCGUFUEWCKBAO-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001028335072 1340572750 /nfs/dbraw/zinc/57/27/50/1340572750.db2.gz NLCGUFUEWCKBAO-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC001028335072 1340572752 /nfs/dbraw/zinc/57/27/52/1340572752.db2.gz NLCGUFUEWCKBAO-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CCC3CCCCCC3)C2)CC[N@H+]1C ZINC001028549703 1340696636 /nfs/dbraw/zinc/69/66/36/1340696636.db2.gz VRMMLQMVQBKHCO-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](CCC3CCCCCC3)C2)CC[NH+]1C ZINC001028549703 1340696639 /nfs/dbraw/zinc/69/66/39/1340696639.db2.gz VRMMLQMVQBKHCO-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCC3CCCCCC3)C2)CC[NH+]1C ZINC001028549703 1340696641 /nfs/dbraw/zinc/69/66/41/1340696641.db2.gz VRMMLQMVQBKHCO-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCC(C)(C)C)C2)cc1 ZINC001028870459 1340869695 /nfs/dbraw/zinc/86/96/95/1340869695.db2.gz QBTJTNGFNKZQQW-GOSISDBHSA-N 2 1 345.531 3.236 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCC(C)C)C2)o1 ZINC001029012611 1340909025 /nfs/dbraw/zinc/90/90/25/1340909025.db2.gz ORAMLKJPFDEXRR-QGZVFWFLSA-N 2 1 349.519 3.219 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029099891 1340929948 /nfs/dbraw/zinc/92/99/48/1340929948.db2.gz XWXJVXWJVNWLBH-XLIONFOSSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccccc1)[NH+](C)C ZINC001029346908 1340974901 /nfs/dbraw/zinc/97/49/01/1340974901.db2.gz HGJCHPYLSZRQQJ-FFGOWVMKSA-N 2 1 343.515 3.009 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001029799917 1341077072 /nfs/dbraw/zinc/07/70/72/1341077072.db2.gz HPZHHYVXAIZQDX-QGZVFWFLSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001029843976 1341093076 /nfs/dbraw/zinc/09/30/76/1341093076.db2.gz UBWGUTKYOURJRL-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CCC2)C1)[NH+]1CCCCC1 ZINC001029910429 1341113895 /nfs/dbraw/zinc/11/38/95/1341113895.db2.gz LBKMBLWVXKIBHO-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC2CCCC2)CC1 ZINC001029964452 1341136906 /nfs/dbraw/zinc/13/69/06/1341136906.db2.gz JNGJSHMQHHELAP-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC2CCCC2)CC1 ZINC001029964452 1341136907 /nfs/dbraw/zinc/13/69/07/1341136907.db2.gz JNGJSHMQHHELAP-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC2CCCC2)CC1 ZINC001029964452 1341136908 /nfs/dbraw/zinc/13/69/08/1341136908.db2.gz JNGJSHMQHHELAP-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH+](C)CC3CCCC3)CC2)CC[N@H+]1C ZINC001029966562 1341137353 /nfs/dbraw/zinc/13/73/53/1341137353.db2.gz YSJBZYCIBAHJAM-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[N@H+](C)CC3CCCC3)CC2)CC[NH+]1C ZINC001029966562 1341137355 /nfs/dbraw/zinc/13/73/55/1341137355.db2.gz YSJBZYCIBAHJAM-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[N@@H+](C)CC3CCCC3)CC2)CC[NH+]1C ZINC001029966562 1341137356 /nfs/dbraw/zinc/13/73/56/1341137356.db2.gz YSJBZYCIBAHJAM-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC(C[NH+](C)CC2CCC2)CC1 ZINC001029970159 1341138912 /nfs/dbraw/zinc/13/89/12/1341138912.db2.gz NYLQZVIEWGQOJP-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1 ZINC001029970159 1341138914 /nfs/dbraw/zinc/13/89/14/1341138914.db2.gz NYLQZVIEWGQOJP-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1 ZINC001029970159 1341138916 /nfs/dbraw/zinc/13/89/16/1341138916.db2.gz NYLQZVIEWGQOJP-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CC(C[N@@H+](C)CC2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001029970775 1341139077 /nfs/dbraw/zinc/13/90/77/1341139077.db2.gz PEWMZKBBRMETSM-UUKMXZOPSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[NH+](C)CC2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001029970775 1341139078 /nfs/dbraw/zinc/13/90/78/1341139078.db2.gz PEWMZKBBRMETSM-UUKMXZOPSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[NH+](C)CC2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001029970775 1341139079 /nfs/dbraw/zinc/13/90/79/1341139079.db2.gz PEWMZKBBRMETSM-UUKMXZOPSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)c1ccccc1Cl ZINC001030020168 1341159639 /nfs/dbraw/zinc/15/96/39/1341159639.db2.gz KXAYGRSYIDVWTH-RVKKMQEKSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001030020188 1341159654 /nfs/dbraw/zinc/15/96/54/1341159654.db2.gz ULYODRITZQCGRP-JCGIZDLHSA-N 2 1 349.906 3.076 20 0 EGADMP CC1CCC(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC1 ZINC001030026660 1341160967 /nfs/dbraw/zinc/16/09/67/1341160967.db2.gz ZTWSRLDAPMXESG-KPZODNFCSA-N 2 1 349.563 3.124 20 0 EGADMP CC1CCC(C[NH+]2CCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001030026660 1341160968 /nfs/dbraw/zinc/16/09/68/1341160968.db2.gz ZTWSRLDAPMXESG-KPZODNFCSA-N 2 1 349.563 3.124 20 0 EGADMP CC1CCC(C[NH+]2CCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001030026660 1341160969 /nfs/dbraw/zinc/16/09/69/1341160969.db2.gz ZTWSRLDAPMXESG-KPZODNFCSA-N 2 1 349.563 3.124 20 0 EGADMP CC1CCC(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)CC1 ZINC001030033552 1341162300 /nfs/dbraw/zinc/16/23/00/1341162300.db2.gz ZTWSRLDAPMXESG-TZCBXBLLSA-N 2 1 349.563 3.124 20 0 EGADMP CC1CCC(C[NH+]2CCC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001030033552 1341162301 /nfs/dbraw/zinc/16/23/01/1341162301.db2.gz ZTWSRLDAPMXESG-TZCBXBLLSA-N 2 1 349.563 3.124 20 0 EGADMP CC1CCC(C[NH+]2CCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001030033552 1341162302 /nfs/dbraw/zinc/16/23/02/1341162302.db2.gz ZTWSRLDAPMXESG-TZCBXBLLSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001030441533 1341187787 /nfs/dbraw/zinc/18/77/87/1341187787.db2.gz BAWXHKODGLTJJL-HKUYNNGSSA-N 2 1 343.515 3.119 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030441533 1341187789 /nfs/dbraw/zinc/18/77/89/1341187789.db2.gz BAWXHKODGLTJJL-HKUYNNGSSA-N 2 1 343.515 3.119 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001032206224 1341472898 /nfs/dbraw/zinc/47/28/98/1341472898.db2.gz VJQXPAAIOUZAHC-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001032584158 1341549058 /nfs/dbraw/zinc/54/90/58/1341549058.db2.gz ONHGDTUCWBDCBJ-SLFFLAALSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001032584158 1341549060 /nfs/dbraw/zinc/54/90/60/1341549060.db2.gz ONHGDTUCWBDCBJ-SLFFLAALSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001032584158 1341549062 /nfs/dbraw/zinc/54/90/62/1341549062.db2.gz ONHGDTUCWBDCBJ-SLFFLAALSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001032584158 1341549064 /nfs/dbraw/zinc/54/90/64/1341549064.db2.gz ONHGDTUCWBDCBJ-SLFFLAALSA-N 2 1 345.531 3.035 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCC1 ZINC001032802675 1341618794 /nfs/dbraw/zinc/61/87/94/1341618794.db2.gz JIEGCDOETNEXPZ-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCC1 ZINC001032802675 1341618795 /nfs/dbraw/zinc/61/87/95/1341618795.db2.gz JIEGCDOETNEXPZ-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCCC1 ZINC001032802675 1341618797 /nfs/dbraw/zinc/61/87/97/1341618797.db2.gz JIEGCDOETNEXPZ-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001032813244 1341624696 /nfs/dbraw/zinc/62/46/96/1341624696.db2.gz ZRUAXINTDQOZTO-ULQDDVLXSA-N 2 1 347.503 3.066 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033072987 1341716157 /nfs/dbraw/zinc/71/61/57/1341716157.db2.gz OJXDKOOEASFFEM-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033072987 1341716158 /nfs/dbraw/zinc/71/61/58/1341716158.db2.gz OJXDKOOEASFFEM-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033072987 1341716159 /nfs/dbraw/zinc/71/61/59/1341716159.db2.gz OJXDKOOEASFFEM-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033074439 1341716227 /nfs/dbraw/zinc/71/62/27/1341716227.db2.gz AEQJWROHGYLKRQ-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033147123 1341739705 /nfs/dbraw/zinc/73/97/05/1341739705.db2.gz SVANWFSEPWBZHC-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033147123 1341739706 /nfs/dbraw/zinc/73/97/06/1341739706.db2.gz SVANWFSEPWBZHC-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033147123 1341739709 /nfs/dbraw/zinc/73/97/09/1341739709.db2.gz SVANWFSEPWBZHC-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC(CC)CC)C2)C1 ZINC001033353001 1341793386 /nfs/dbraw/zinc/79/33/86/1341793386.db2.gz CHTSOANVYGLIST-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CC(CC)CC)C2)C1 ZINC001033353001 1341793387 /nfs/dbraw/zinc/79/33/87/1341793387.db2.gz CHTSOANVYGLIST-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CC(CC)CC)C2)C1 ZINC001033353001 1341793388 /nfs/dbraw/zinc/79/33/88/1341793388.db2.gz CHTSOANVYGLIST-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001033466634 1341836877 /nfs/dbraw/zinc/83/68/77/1341836877.db2.gz HATJBHZZXMAUEB-SJLPKXTDSA-N 2 1 349.544 3.045 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033472046 1341840184 /nfs/dbraw/zinc/84/01/84/1341840184.db2.gz RCSKUJGMGKHCHY-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033472046 1341840186 /nfs/dbraw/zinc/84/01/86/1341840186.db2.gz RCSKUJGMGKHCHY-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033472046 1341840188 /nfs/dbraw/zinc/84/01/88/1341840188.db2.gz RCSKUJGMGKHCHY-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472181 1341840238 /nfs/dbraw/zinc/84/02/38/1341840238.db2.gz SMOXEIRSTXBXSQ-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033472181 1341840239 /nfs/dbraw/zinc/84/02/39/1341840239.db2.gz SMOXEIRSTXBXSQ-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033472181 1341840241 /nfs/dbraw/zinc/84/02/41/1341840241.db2.gz SMOXEIRSTXBXSQ-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033472654 1341840328 /nfs/dbraw/zinc/84/03/28/1341840328.db2.gz ZRRVAJGLHVMPDP-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033472654 1341840329 /nfs/dbraw/zinc/84/03/29/1341840329.db2.gz ZRRVAJGLHVMPDP-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033472654 1341840330 /nfs/dbraw/zinc/84/03/30/1341840330.db2.gz ZRRVAJGLHVMPDP-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC)[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001033932345 1342096850 /nfs/dbraw/zinc/09/68/50/1342096850.db2.gz LRGPKCFOJFZEAI-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(CC)[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001033932345 1342096852 /nfs/dbraw/zinc/09/68/52/1342096852.db2.gz LRGPKCFOJFZEAI-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(CC)[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001033932345 1342096860 /nfs/dbraw/zinc/09/68/60/1342096860.db2.gz LRGPKCFOJFZEAI-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034209584 1342319559 /nfs/dbraw/zinc/31/95/59/1342319559.db2.gz BXJCXJUMIKYMSM-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCC(C)(C)C)C2)CC[N@H+]1C ZINC001034217581 1342323835 /nfs/dbraw/zinc/32/38/35/1342323835.db2.gz TYWRWFQGNDCDNA-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCC(C)(C)C)C2)CC[NH+]1C ZINC001034217581 1342323839 /nfs/dbraw/zinc/32/38/39/1342323839.db2.gz TYWRWFQGNDCDNA-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCC(C)(C)C)C2)CC[NH+]1C ZINC001034217581 1342323841 /nfs/dbraw/zinc/32/38/41/1342323841.db2.gz TYWRWFQGNDCDNA-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034229353 1342334361 /nfs/dbraw/zinc/33/43/61/1342334361.db2.gz OQWHAAZEXUIXLK-INIZCTEOSA-N 2 1 337.533 3.194 20 0 EGADMP CCCC[N@H+]1CCCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034229353 1342334366 /nfs/dbraw/zinc/33/43/66/1342334366.db2.gz OQWHAAZEXUIXLK-INIZCTEOSA-N 2 1 337.533 3.194 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034249961 1342346379 /nfs/dbraw/zinc/34/63/79/1342346379.db2.gz NNKCJRCMRFSLDN-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034249961 1342346382 /nfs/dbraw/zinc/34/63/82/1342346382.db2.gz NNKCJRCMRFSLDN-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034249961 1342346385 /nfs/dbraw/zinc/34/63/85/1342346385.db2.gz NNKCJRCMRFSLDN-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001034257761 1342351785 /nfs/dbraw/zinc/35/17/85/1342351785.db2.gz LSZFJZJDOPLFIX-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034269409 1342360059 /nfs/dbraw/zinc/36/00/59/1342360059.db2.gz DCTXUZGUHYMRRK-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034269409 1342360062 /nfs/dbraw/zinc/36/00/62/1342360062.db2.gz DCTXUZGUHYMRRK-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCCC2)C1 ZINC001034269409 1342360063 /nfs/dbraw/zinc/36/00/63/1342360063.db2.gz DCTXUZGUHYMRRK-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCCC2)C1 ZINC001034269409 1342360066 /nfs/dbraw/zinc/36/00/66/1342360066.db2.gz DCTXUZGUHYMRRK-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001034526200 1342582928 /nfs/dbraw/zinc/58/29/28/1342582928.db2.gz VQSTXQJEUOMQGG-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001034526200 1342582934 /nfs/dbraw/zinc/58/29/34/1342582934.db2.gz VQSTXQJEUOMQGG-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001034526200 1342582942 /nfs/dbraw/zinc/58/29/42/1342582942.db2.gz VQSTXQJEUOMQGG-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001034525203 1342583382 /nfs/dbraw/zinc/58/33/82/1342583382.db2.gz KCMWCWQQVZAUKO-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001034525203 1342583388 /nfs/dbraw/zinc/58/33/88/1342583388.db2.gz KCMWCWQQVZAUKO-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001034525203 1342583389 /nfs/dbraw/zinc/58/33/89/1342583389.db2.gz KCMWCWQQVZAUKO-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034538253 1342595520 /nfs/dbraw/zinc/59/55/20/1342595520.db2.gz KHDRVTIOXZLPDX-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034538253 1342595523 /nfs/dbraw/zinc/59/55/23/1342595523.db2.gz KHDRVTIOXZLPDX-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034538253 1342595527 /nfs/dbraw/zinc/59/55/27/1342595527.db2.gz KHDRVTIOXZLPDX-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034543336 1342603865 /nfs/dbraw/zinc/60/38/65/1342603865.db2.gz ZXINEWCOFZPXNF-PKOBYXMFSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034642609 1342667437 /nfs/dbraw/zinc/66/74/37/1342667437.db2.gz IKEYHMLXYNNTCB-FHWLQOOXSA-N 2 1 335.536 3.066 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1 ZINC001034642768 1342668722 /nfs/dbraw/zinc/66/87/22/1342668722.db2.gz LDGKTDNSWMGTGL-UFYCRDLUSA-N 2 1 343.515 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001034658286 1342675287 /nfs/dbraw/zinc/67/52/87/1342675287.db2.gz DPKDFBGVCGNKAV-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001034673494 1342684628 /nfs/dbraw/zinc/68/46/28/1342684628.db2.gz BPBMTEAGMWGBOT-UFYCRDLUSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1)c1ccccc1 ZINC001034733472 1342728481 /nfs/dbraw/zinc/72/84/81/1342728481.db2.gz CPKRLOJMJGUYNX-ZULIPRJHSA-N 2 1 343.515 3.106 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001034737937 1342729301 /nfs/dbraw/zinc/72/93/01/1342729301.db2.gz PCSYVQMHGKXEGK-BHIYHBOVSA-N 2 1 347.547 3.068 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH2+]C(C)C)cc1 ZINC001034828155 1342788908 /nfs/dbraw/zinc/78/89/08/1342788908.db2.gz MEHJPKGBMMQZCJ-FQEVSTJZSA-N 2 1 345.531 3.455 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001034957881 1342852690 /nfs/dbraw/zinc/85/26/90/1342852690.db2.gz NXEAXDOYSYQFPX-IEBWSBKVSA-N 2 1 343.515 3.121 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034958113 1342852989 /nfs/dbraw/zinc/85/29/89/1342852989.db2.gz AHFSNRYHOLHBJB-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001034958267 1342853012 /nfs/dbraw/zinc/85/30/12/1342853012.db2.gz FSZSHJGKOLGTOV-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001035069662 1342910902 /nfs/dbraw/zinc/91/09/02/1342910902.db2.gz CSXMXUJYACVSFY-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035210231 1343028981 /nfs/dbraw/zinc/02/89/81/1343028981.db2.gz IMBHIZWOWVQVCT-UHFFFAOYSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244226 1343065347 /nfs/dbraw/zinc/06/53/47/1343065347.db2.gz LYTMSORFGAUCST-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC3(C[NH+](C[C@@H](C)CC)C3)CC2)C1 ZINC001035773321 1343184348 /nfs/dbraw/zinc/18/43/48/1343184348.db2.gz XBDQJKGPKGXLFY-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001036183872 1343351080 /nfs/dbraw/zinc/35/10/80/1343351080.db2.gz VEPSIEDJPLLOQI-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC2CCC2)C1 ZINC001036451277 1343495003 /nfs/dbraw/zinc/49/50/03/1343495003.db2.gz SFGVWEBVTUTCQE-FUHWJXTLSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C[NH2+]CC1CCCC1 ZINC001036577331 1343562587 /nfs/dbraw/zinc/56/25/87/1343562587.db2.gz GHTOHZQFJUNJTL-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036717426 1343649548 /nfs/dbraw/zinc/64/95/48/1343649548.db2.gz VRUMTEYKNNMVTQ-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036755269 1343677761 /nfs/dbraw/zinc/67/77/61/1343677761.db2.gz TWJCGUNLUJGBKA-MJGOQNOKSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036755269 1343677762 /nfs/dbraw/zinc/67/77/62/1343677762.db2.gz TWJCGUNLUJGBKA-MJGOQNOKSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036755269 1343677763 /nfs/dbraw/zinc/67/77/63/1343677763.db2.gz TWJCGUNLUJGBKA-MJGOQNOKSA-N 2 1 349.563 3.218 20 0 EGADMP CC1(C)CC(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001038348898 1344391727 /nfs/dbraw/zinc/39/17/27/1344391727.db2.gz DMKGFDZFTPLKBA-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC(C[NH+]2CC[C@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001038348898 1344391730 /nfs/dbraw/zinc/39/17/30/1344391730.db2.gz DMKGFDZFTPLKBA-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC(C[NH+]2CC[C@H]2CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001038348898 1344391733 /nfs/dbraw/zinc/39/17/33/1344391733.db2.gz DMKGFDZFTPLKBA-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP Cc1c(C(=O)NC[C@@H]2CC[N@@H+]2[C@H](C)c2ccccc2)ccc2c[nH+]cn21 ZINC001038431654 1344425779 /nfs/dbraw/zinc/42/57/79/1344425779.db2.gz KCTYXLNSNXDLSM-BEFAXECRSA-N 2 1 348.450 3.208 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@H]2CNC(=O)c2ccn3c[nH+]cc3c2)c1 ZINC001038464250 1344435137 /nfs/dbraw/zinc/43/51/37/1344435137.db2.gz CEJURCFANKLAIE-LPHOPBHVSA-N 2 1 348.450 3.208 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CC2CCCCCC2)C1 ZINC001038621660 1344508841 /nfs/dbraw/zinc/50/88/41/1344508841.db2.gz GHOBFTMPYXNUIF-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CC2CCCCCC2)C1 ZINC001038621660 1344508843 /nfs/dbraw/zinc/50/88/43/1344508843.db2.gz GHOBFTMPYXNUIF-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CC2CCCCCC2)C1 ZINC001038621660 1344508846 /nfs/dbraw/zinc/50/88/46/1344508846.db2.gz GHOBFTMPYXNUIF-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2[C@@H](C)c2ccccc2)CC1 ZINC001038872467 1344621760 /nfs/dbraw/zinc/62/17/60/1344621760.db2.gz PEKHUKHJGVUVNB-FXAWDEMLSA-N 2 1 343.515 3.059 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1=CCCCC1 ZINC001038906602 1344644316 /nfs/dbraw/zinc/64/43/16/1344644316.db2.gz CHSZJXBAFJMSLG-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001038906602 1344644320 /nfs/dbraw/zinc/64/43/20/1344644320.db2.gz CHSZJXBAFJMSLG-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1=CCCCC1 ZINC001038906602 1344644323 /nfs/dbraw/zinc/64/43/23/1344644323.db2.gz CHSZJXBAFJMSLG-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+]2CCC2CCCC2)c1 ZINC001039040525 1344728513 /nfs/dbraw/zinc/72/85/13/1344728513.db2.gz RNHHGNHDRZLCBV-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](C(C)C)C2)CC1 ZINC001039140254 1344820360 /nfs/dbraw/zinc/82/03/60/1344820360.db2.gz RJTRPRWDGIHVQK-UXHICEINSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001039140254 1344820362 /nfs/dbraw/zinc/82/03/62/1344820362.db2.gz RJTRPRWDGIHVQK-UXHICEINSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001039140254 1344820366 /nfs/dbraw/zinc/82/03/66/1344820366.db2.gz RJTRPRWDGIHVQK-UXHICEINSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039175835 1344867152 /nfs/dbraw/zinc/86/71/52/1344867152.db2.gz DWLOTGXONYJXTL-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001039232121 1344951760 /nfs/dbraw/zinc/95/17/60/1344951760.db2.gz SZSSIOTVZJTPGJ-UXHICEINSA-N 2 1 343.515 3.085 20 0 EGADMP CCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039237582 1344960838 /nfs/dbraw/zinc/96/08/38/1344960838.db2.gz HQCMTZJGDAPBLJ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001039288962 1344998065 /nfs/dbraw/zinc/99/80/65/1344998065.db2.gz LFJHXZUIPUJFDV-ZNBHLAFESA-N 2 1 347.547 3.304 20 0 EGADMP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001039377404 1345034521 /nfs/dbraw/zinc/03/45/21/1345034521.db2.gz WFBSGZRFWRZPJI-KURKYZTESA-N 2 1 346.519 3.262 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001039377404 1345034525 /nfs/dbraw/zinc/03/45/25/1345034525.db2.gz WFBSGZRFWRZPJI-KURKYZTESA-N 2 1 346.519 3.262 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001039387162 1345039705 /nfs/dbraw/zinc/03/97/05/1345039705.db2.gz VVRVIQUZJRWCEX-AABGKKOBSA-N 2 1 347.547 3.259 20 0 EGADMP CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001039387162 1345039708 /nfs/dbraw/zinc/03/97/08/1345039708.db2.gz VVRVIQUZJRWCEX-AABGKKOBSA-N 2 1 347.547 3.259 20 0 EGADMP CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001039387162 1345039711 /nfs/dbraw/zinc/03/97/11/1345039711.db2.gz VVRVIQUZJRWCEX-AABGKKOBSA-N 2 1 347.547 3.259 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001039389858 1345040844 /nfs/dbraw/zinc/04/08/44/1345040844.db2.gz MNOKCONCNHUVSH-QYZOEREBSA-N 2 1 337.552 3.074 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001039452467 1345075594 /nfs/dbraw/zinc/07/55/94/1345075594.db2.gz XOONUWMSPFDAJB-UXHICEINSA-N 2 1 343.515 3.227 20 0 EGADMP O=C(C[NH+]1CCCC1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCCCC1 ZINC001040006336 1345284959 /nfs/dbraw/zinc/28/49/59/1345284959.db2.gz ZNFMFWMQTUFPNO-BGYRXZFFSA-N 2 1 347.547 3.118 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CCC(C)(C)C)C3)CC[N@H+]1C ZINC001040209401 1345376261 /nfs/dbraw/zinc/37/62/61/1345376261.db2.gz JHBFIPFFTGHYSJ-DBXWQHBBSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](CCC(C)(C)C)C3)CC[NH+]1C ZINC001040209401 1345376263 /nfs/dbraw/zinc/37/62/63/1345376263.db2.gz JHBFIPFFTGHYSJ-DBXWQHBBSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC(C)(C)C)C3)CC[NH+]1C ZINC001040209401 1345376268 /nfs/dbraw/zinc/37/62/68/1345376268.db2.gz JHBFIPFFTGHYSJ-DBXWQHBBSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC(C)(C)C)C2 ZINC001040264108 1345402151 /nfs/dbraw/zinc/40/21/51/1345402151.db2.gz LSFQPYDBPLPIMO-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC(C)(C)C)C2 ZINC001040264108 1345402154 /nfs/dbraw/zinc/40/21/54/1345402154.db2.gz LSFQPYDBPLPIMO-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC(C)(C)C)C2 ZINC001040264108 1345402156 /nfs/dbraw/zinc/40/21/56/1345402156.db2.gz LSFQPYDBPLPIMO-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040349127 1345447358 /nfs/dbraw/zinc/44/73/58/1345447358.db2.gz VGUALUWYJUXYHY-FPOVZHCZSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040349127 1345447359 /nfs/dbraw/zinc/44/73/59/1345447359.db2.gz VGUALUWYJUXYHY-FPOVZHCZSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040349127 1345447361 /nfs/dbraw/zinc/44/73/61/1345447361.db2.gz VGUALUWYJUXYHY-FPOVZHCZSA-N 2 1 349.563 3.223 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCC1CCC1)C2)[NH+](C)C ZINC001040397677 1345475824 /nfs/dbraw/zinc/47/58/24/1345475824.db2.gz CEISZCABNJDZAA-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433187 1345496659 /nfs/dbraw/zinc/49/66/59/1345496659.db2.gz UIDIBSZPGVPQJC-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC)C2 ZINC001040489597 1345516675 /nfs/dbraw/zinc/51/66/75/1345516675.db2.gz VXAVSDYVQFPQJY-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC)C2 ZINC001040489597 1345516677 /nfs/dbraw/zinc/51/66/77/1345516677.db2.gz VXAVSDYVQFPQJY-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC)C2 ZINC001040489597 1345516680 /nfs/dbraw/zinc/51/66/80/1345516680.db2.gz VXAVSDYVQFPQJY-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC)C3)o1 ZINC001040548712 1345542597 /nfs/dbraw/zinc/54/25/97/1345542597.db2.gz UQNAQONTJAJGQI-FQEVSTJZSA-N 2 1 347.503 3.069 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001040733234 1345572192 /nfs/dbraw/zinc/57/21/92/1345572192.db2.gz QQRFJRAMUONNLH-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042187097 1345974263 /nfs/dbraw/zinc/97/42/63/1345974263.db2.gz LOSJDEAXEYIFSU-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC1CC[NH+](CC(=O)N2CC[C@@H]3CC[N@@H+](CCC(C)(C)C)[C@@H]3C2)CC1 ZINC001042287135 1346017780 /nfs/dbraw/zinc/01/77/80/1346017780.db2.gz GDTWYNIJWDDFMO-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042286695 1346017802 /nfs/dbraw/zinc/01/78/02/1346017802.db2.gz BUEZGPAZFVEKOO-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1C[NH+](CC2CCCCCC2)C1 ZINC001043072770 1346137117 /nfs/dbraw/zinc/13/71/17/1346137117.db2.gz HRMSQYMXCMITNB-ICSRJNTNSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CC2CCC(C)CC2)C1 ZINC001043198476 1346152175 /nfs/dbraw/zinc/15/21/75/1346152175.db2.gz QVAFXTIULPXBOI-AFMYVXGZSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001044745776 1346418986 /nfs/dbraw/zinc/41/89/86/1346418986.db2.gz ZQZVRRPHELHEII-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1)c1ccccc1 ZINC001045322619 1346560031 /nfs/dbraw/zinc/56/00/31/1346560031.db2.gz RTEXMMJTTLXFMC-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001045474848 1346602669 /nfs/dbraw/zinc/60/26/69/1346602669.db2.gz BTVSYENUTAEWDH-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001045640384 1346655752 /nfs/dbraw/zinc/65/57/52/1346655752.db2.gz PATGKTYWKYGANY-RTBURBONSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001045776068 1346695586 /nfs/dbraw/zinc/69/55/86/1346695586.db2.gz GBKORQABMOJNII-CEXWTWQISA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001045776068 1346695591 /nfs/dbraw/zinc/69/55/91/1346695591.db2.gz GBKORQABMOJNII-CEXWTWQISA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001045776068 1346695594 /nfs/dbraw/zinc/69/55/94/1346695594.db2.gz GBKORQABMOJNII-CEXWTWQISA-N 2 1 349.563 3.361 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001045803552 1346702947 /nfs/dbraw/zinc/70/29/47/1346702947.db2.gz YMZKMJVWASCFKY-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001045803552 1346702948 /nfs/dbraw/zinc/70/29/48/1346702948.db2.gz YMZKMJVWASCFKY-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001045803552 1346702949 /nfs/dbraw/zinc/70/29/49/1346702949.db2.gz YMZKMJVWASCFKY-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001045847931 1346719900 /nfs/dbraw/zinc/71/99/00/1346719900.db2.gz YZSMQYYIQDXQSR-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001045847931 1346719904 /nfs/dbraw/zinc/71/99/04/1346719904.db2.gz YZSMQYYIQDXQSR-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001045847931 1346719905 /nfs/dbraw/zinc/71/99/05/1346719905.db2.gz YZSMQYYIQDXQSR-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943344 1346779091 /nfs/dbraw/zinc/77/90/91/1346779091.db2.gz IILQJKWWDDYHMW-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943470 1346779399 /nfs/dbraw/zinc/77/93/99/1346779399.db2.gz IWOSMCTXPSFHGX-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001045943470 1346779401 /nfs/dbraw/zinc/77/94/01/1346779401.db2.gz IWOSMCTXPSFHGX-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001045943470 1346779403 /nfs/dbraw/zinc/77/94/03/1346779403.db2.gz IWOSMCTXPSFHGX-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945733 1346781469 /nfs/dbraw/zinc/78/14/69/1346781469.db2.gz YIVFACXBHQYSGK-ICSRJNTNSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945732 1346781571 /nfs/dbraw/zinc/78/15/71/1346781571.db2.gz YIVFACXBHQYSGK-AZUAARDMSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001045960977 1346796521 /nfs/dbraw/zinc/79/65/21/1346796521.db2.gz XZNFBALJITTWRL-HXUWFJFHSA-N 2 1 347.503 3.068 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045964993 1346800551 /nfs/dbraw/zinc/80/05/51/1346800551.db2.gz BBJFHDQRSACAPG-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001045964993 1346800553 /nfs/dbraw/zinc/80/05/53/1346800553.db2.gz BBJFHDQRSACAPG-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001045964993 1346800556 /nfs/dbraw/zinc/80/05/56/1346800556.db2.gz BBJFHDQRSACAPG-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001045969577 1346804775 /nfs/dbraw/zinc/80/47/75/1346804775.db2.gz TYMVGHQWUGVMNF-HXUWFJFHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001045969577 1346804780 /nfs/dbraw/zinc/80/47/80/1346804780.db2.gz TYMVGHQWUGVMNF-HXUWFJFHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](CC3CCCCC3)C2)C1 ZINC001046368917 1346952036 /nfs/dbraw/zinc/95/20/36/1346952036.db2.gz KFMLNGGVJRJRHC-PZJWPPBQSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@H+](CC3CCCCC3)C2)C1 ZINC001046368917 1346952037 /nfs/dbraw/zinc/95/20/37/1346952037.db2.gz KFMLNGGVJRJRHC-PZJWPPBQSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001046368917 1346952038 /nfs/dbraw/zinc/95/20/38/1346952038.db2.gz KFMLNGGVJRJRHC-PZJWPPBQSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](CCCC3CCC3)C2)C1 ZINC001046375700 1346954258 /nfs/dbraw/zinc/95/42/58/1346954258.db2.gz OTXIJLFWOZLZAU-FPOVZHCZSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCCC3CCC3)C2)C1 ZINC001046375700 1346954261 /nfs/dbraw/zinc/95/42/61/1346954261.db2.gz OTXIJLFWOZLZAU-FPOVZHCZSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001046375700 1346954263 /nfs/dbraw/zinc/95/42/63/1346954263.db2.gz OTXIJLFWOZLZAU-FPOVZHCZSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](CCCC3CCC3)C2)C1 ZINC001046375703 1346954811 /nfs/dbraw/zinc/95/48/11/1346954811.db2.gz OTXIJLFWOZLZAU-PZJWPPBQSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@H+](CCCC3CCC3)C2)C1 ZINC001046375703 1346954812 /nfs/dbraw/zinc/95/48/12/1346954812.db2.gz OTXIJLFWOZLZAU-PZJWPPBQSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001046375703 1346954813 /nfs/dbraw/zinc/95/48/13/1346954813.db2.gz OTXIJLFWOZLZAU-PZJWPPBQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046437956 1346975548 /nfs/dbraw/zinc/97/55/48/1346975548.db2.gz YCJKHJZAIACCAX-HXUWFJFHSA-N 2 1 342.487 3.273 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@]2(C)CC[N@@H+](CC3CCCC3)C2)c1 ZINC001046852873 1347130191 /nfs/dbraw/zinc/13/01/91/1347130191.db2.gz QXIRYPFFJDZCCS-NRFANRHFSA-N 2 1 343.515 3.133 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046863715 1347137138 /nfs/dbraw/zinc/13/71/38/1347137138.db2.gz HFOBXZIVIDDOMI-JXFKEZNVSA-N 2 1 349.519 3.362 20 0 EGADMP CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001047244087 1347269904 /nfs/dbraw/zinc/26/99/04/1347269904.db2.gz PLSNZCKFSVPRJW-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001047244407 1347270129 /nfs/dbraw/zinc/27/01/29/1347270129.db2.gz RJLQHJZTHXZBTH-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCC3=CCCCC3)C[C@H]2C)CC[N@H+]1C ZINC001079732188 1357360667 /nfs/dbraw/zinc/36/06/67/1357360667.db2.gz CRFBPBMIWDPEMF-GSEOLPGOSA-N 2 1 347.547 3.044 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@H]2C)CC[NH+]1C ZINC001079732188 1357360669 /nfs/dbraw/zinc/36/06/69/1357360669.db2.gz CRFBPBMIWDPEMF-GSEOLPGOSA-N 2 1 347.547 3.044 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]2C)CC[NH+]1C ZINC001079732188 1357360673 /nfs/dbraw/zinc/36/06/73/1357360673.db2.gz CRFBPBMIWDPEMF-GSEOLPGOSA-N 2 1 347.547 3.044 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[NH+]3C1)C2 ZINC001048525207 1347577452 /nfs/dbraw/zinc/57/74/52/1347577452.db2.gz OYNBYTHSMLKJBP-FSGKZVOOSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[N@@H+]3C1)C2 ZINC001048525207 1347577455 /nfs/dbraw/zinc/57/74/55/1347577455.db2.gz OYNBYTHSMLKJBP-FSGKZVOOSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[N@H+]3C1)C2 ZINC001048525207 1347577456 /nfs/dbraw/zinc/57/74/56/1347577456.db2.gz OYNBYTHSMLKJBP-FSGKZVOOSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)CC ZINC001048529969 1347579984 /nfs/dbraw/zinc/57/99/84/1347579984.db2.gz AEZLYQAQJWDKRG-UHZRXMQZSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)CC ZINC001048529969 1347579989 /nfs/dbraw/zinc/57/99/89/1347579989.db2.gz AEZLYQAQJWDKRG-UHZRXMQZSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001048529969 1347579992 /nfs/dbraw/zinc/57/99/92/1347579992.db2.gz AEZLYQAQJWDKRG-UHZRXMQZSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001048539814 1347584024 /nfs/dbraw/zinc/58/40/24/1347584024.db2.gz SLYJYCGLLAHQEL-YRPNKDGESA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001048539814 1347584026 /nfs/dbraw/zinc/58/40/26/1347584026.db2.gz SLYJYCGLLAHQEL-YRPNKDGESA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001048539814 1347584028 /nfs/dbraw/zinc/58/40/28/1347584028.db2.gz SLYJYCGLLAHQEL-YRPNKDGESA-N 2 1 349.563 3.122 20 0 EGADMP CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001048558725 1347592579 /nfs/dbraw/zinc/59/25/79/1347592579.db2.gz ZEJQCIWNCVAFHT-GSEOLPGOSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001048558725 1347592582 /nfs/dbraw/zinc/59/25/82/1347592582.db2.gz ZEJQCIWNCVAFHT-GSEOLPGOSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001048558725 1347592583 /nfs/dbraw/zinc/59/25/83/1347592583.db2.gz ZEJQCIWNCVAFHT-GSEOLPGOSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCC1)[NH+]1CCCCC1 ZINC001049476194 1347868273 /nfs/dbraw/zinc/86/82/73/1347868273.db2.gz CSAHPJBURPPMBK-RTBURBONSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCCC1 ZINC001049654000 1347957099 /nfs/dbraw/zinc/95/70/99/1347957099.db2.gz FOOJXBFMNCARLL-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CCCCC1 ZINC001049898216 1348099464 /nfs/dbraw/zinc/09/94/64/1348099464.db2.gz XOQBCNWHKHAZHK-UXHICEINSA-N 2 1 347.547 3.118 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCC1 ZINC001049914880 1348109336 /nfs/dbraw/zinc/10/93/36/1348109336.db2.gz RQGRRJNUICMFSP-UXHICEINSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049915461 1348109868 /nfs/dbraw/zinc/10/98/68/1348109868.db2.gz VYYBFPPBUXHDPH-AQNXPRMDSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049915461 1348109869 /nfs/dbraw/zinc/10/98/69/1348109869.db2.gz VYYBFPPBUXHDPH-AQNXPRMDSA-N 2 1 343.515 3.011 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049919395 1348112939 /nfs/dbraw/zinc/11/29/39/1348112939.db2.gz OVLHACQPTKDIPG-ZCNNSNEGSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001049919395 1348112940 /nfs/dbraw/zinc/11/29/40/1348112940.db2.gz OVLHACQPTKDIPG-ZCNNSNEGSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001049919395 1348112943 /nfs/dbraw/zinc/11/29/43/1348112943.db2.gz OVLHACQPTKDIPG-ZCNNSNEGSA-N 2 1 349.563 3.362 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC001049922147 1348113943 /nfs/dbraw/zinc/11/39/43/1348113943.db2.gz YEIICCXGGUOYJS-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCC1 ZINC001049922147 1348113944 /nfs/dbraw/zinc/11/39/44/1348113944.db2.gz YEIICCXGGUOYJS-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCC1 ZINC001049922147 1348113945 /nfs/dbraw/zinc/11/39/45/1348113945.db2.gz YEIICCXGGUOYJS-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21)[NH+](C)C ZINC001050144870 1348194704 /nfs/dbraw/zinc/19/47/04/1348194704.db2.gz QGPACZVULIWGNC-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC001050543766 1348286897 /nfs/dbraw/zinc/28/68/97/1348286897.db2.gz LQNDLFXEWPMRIC-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)CC1)[NH+]1CCCCC1 ZINC001052376873 1348535355 /nfs/dbraw/zinc/53/53/55/1348535355.db2.gz KEBDEWKVJDIXJQ-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052447030 1348543855 /nfs/dbraw/zinc/54/38/55/1348543855.db2.gz VVIOPJYBHKKEHO-RBUKOAKNSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447030 1348543857 /nfs/dbraw/zinc/54/38/57/1348543857.db2.gz VVIOPJYBHKKEHO-RBUKOAKNSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447030 1348543858 /nfs/dbraw/zinc/54/38/58/1348543858.db2.gz VVIOPJYBHKKEHO-RBUKOAKNSA-N 2 1 335.536 3.186 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCC2CC2)CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001052447377 1348543938 /nfs/dbraw/zinc/54/39/38/1348543938.db2.gz CUEKYQKOUXTPLM-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CCC2CC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001052447377 1348543940 /nfs/dbraw/zinc/54/39/40/1348543940.db2.gz CUEKYQKOUXTPLM-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CCC2CC2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001052447377 1348543942 /nfs/dbraw/zinc/54/39/42/1348543942.db2.gz CUEKYQKOUXTPLM-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cs1 ZINC001052498959 1348559603 /nfs/dbraw/zinc/55/96/03/1348559603.db2.gz LOTPIUGWUTWTQQ-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)CC2)cs1 ZINC001052498959 1348559604 /nfs/dbraw/zinc/55/96/04/1348559604.db2.gz LOTPIUGWUTWTQQ-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)CC2)cs1 ZINC001052498959 1348559607 /nfs/dbraw/zinc/55/96/07/1348559607.db2.gz LOTPIUGWUTWTQQ-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001052498668 1348559703 /nfs/dbraw/zinc/55/97/03/1348559703.db2.gz JFFHMTUUEXANDW-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001052498668 1348559704 /nfs/dbraw/zinc/55/97/04/1348559704.db2.gz JFFHMTUUEXANDW-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001052498668 1348559707 /nfs/dbraw/zinc/55/97/07/1348559707.db2.gz JFFHMTUUEXANDW-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cs1 ZINC001052498957 1348559859 /nfs/dbraw/zinc/55/98/59/1348559859.db2.gz LOTPIUGWUTWTQQ-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)CC2)cs1 ZINC001052498957 1348559860 /nfs/dbraw/zinc/55/98/60/1348559860.db2.gz LOTPIUGWUTWTQQ-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)CC2)cs1 ZINC001052498957 1348559861 /nfs/dbraw/zinc/55/98/61/1348559861.db2.gz LOTPIUGWUTWTQQ-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052526314 1348565908 /nfs/dbraw/zinc/56/59/08/1348565908.db2.gz BBLJABFLCDXVAS-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2CCCC2)CC1)c1ccn2c[nH+]cc2c1 ZINC001052529335 1348567125 /nfs/dbraw/zinc/56/71/25/1348567125.db2.gz PWLMJTSKUSCNQZ-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC001052562624 1348580275 /nfs/dbraw/zinc/58/02/75/1348580275.db2.gz XANSKXVHNYKLJT-IBGZPJMESA-N 2 1 344.503 3.053 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC001052562624 1348580277 /nfs/dbraw/zinc/58/02/77/1348580277.db2.gz XANSKXVHNYKLJT-IBGZPJMESA-N 2 1 344.503 3.053 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052651681 1348614536 /nfs/dbraw/zinc/61/45/36/1348614536.db2.gz LQNBPNMQKNVPIB-HKUYNNGSSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052651681 1348614538 /nfs/dbraw/zinc/61/45/38/1348614538.db2.gz LQNBPNMQKNVPIB-HKUYNNGSSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052651681 1348614539 /nfs/dbraw/zinc/61/45/39/1348614539.db2.gz LQNBPNMQKNVPIB-HKUYNNGSSA-N 2 1 335.536 3.163 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052715248 1348645771 /nfs/dbraw/zinc/64/57/71/1348645771.db2.gz BGZVYKLOJREJFW-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001052715248 1348645777 /nfs/dbraw/zinc/64/57/77/1348645777.db2.gz BGZVYKLOJREJFW-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001052715248 1348645782 /nfs/dbraw/zinc/64/57/82/1348645782.db2.gz BGZVYKLOJREJFW-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052765465 1348670360 /nfs/dbraw/zinc/67/03/60/1348670360.db2.gz ZYIASDCGMHYMML-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052765465 1348670362 /nfs/dbraw/zinc/67/03/62/1348670362.db2.gz ZYIASDCGMHYMML-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052765465 1348670363 /nfs/dbraw/zinc/67/03/63/1348670363.db2.gz ZYIASDCGMHYMML-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052788602 1348680103 /nfs/dbraw/zinc/68/01/03/1348680103.db2.gz TYZSICYTOZDQTR-FQEVSTJZSA-N 2 1 345.531 3.379 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCCC3CCC3)CC2)CC1 ZINC001052819016 1348688901 /nfs/dbraw/zinc/68/89/01/1348688901.db2.gz BUEXQOHRPUPUFE-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCC2CCCCC2)CC1)C12CC[NH+](CC1)C2 ZINC001052871018 1348711965 /nfs/dbraw/zinc/71/19/65/1348711965.db2.gz BGNAEWUSKMYAIM-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036898 1348837438 /nfs/dbraw/zinc/83/74/38/1348837438.db2.gz RVDNOTLWYKNBJF-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053038661 1348839967 /nfs/dbraw/zinc/83/99/67/1348839967.db2.gz ABPDNMWPOBUCQB-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001053038661 1348839975 /nfs/dbraw/zinc/83/99/75/1348839975.db2.gz ABPDNMWPOBUCQB-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001053038661 1348839980 /nfs/dbraw/zinc/83/99/80/1348839980.db2.gz ABPDNMWPOBUCQB-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054153901 1349156904 /nfs/dbraw/zinc/15/69/04/1349156904.db2.gz MRLOTAKHFYAFEW-UYAOXDASSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197747 1349200319 /nfs/dbraw/zinc/20/03/19/1349200319.db2.gz HSBBIGPUKYFZKY-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001054197747 1349200324 /nfs/dbraw/zinc/20/03/24/1349200324.db2.gz HSBBIGPUKYFZKY-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001054197747 1349200329 /nfs/dbraw/zinc/20/03/29/1349200329.db2.gz HSBBIGPUKYFZKY-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001054244242 1349237814 /nfs/dbraw/zinc/23/78/14/1349237814.db2.gz UASXJDFSFAKIBW-NRFANRHFSA-N 2 1 343.515 3.086 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3CC(C)C)cc2C1 ZINC001054272004 1349271763 /nfs/dbraw/zinc/27/17/63/1349271763.db2.gz AKICXUXBFUTPSG-HXUWFJFHSA-N 2 1 343.515 3.149 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3CC(C)C)cc2C1 ZINC001054272004 1349271767 /nfs/dbraw/zinc/27/17/67/1349271767.db2.gz AKICXUXBFUTPSG-HXUWFJFHSA-N 2 1 343.515 3.149 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3CC(C)C)cc2C1 ZINC001054272004 1349271771 /nfs/dbraw/zinc/27/17/71/1349271771.db2.gz AKICXUXBFUTPSG-HXUWFJFHSA-N 2 1 343.515 3.149 20 0 EGADMP Cc1sc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1Br ZINC001232291826 1376433071 /nfs/dbraw/zinc/43/30/71/1376433071.db2.gz LJAKQNUNJARMMM-NEPJUHHUSA-N 2 1 329.307 3.203 20 0 EGADMP Cc1sc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1Br ZINC001232291826 1376433074 /nfs/dbraw/zinc/43/30/74/1376433074.db2.gz LJAKQNUNJARMMM-NEPJUHHUSA-N 2 1 329.307 3.203 20 0 EGADMP Cc1sc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1Br ZINC001232291826 1376433077 /nfs/dbraw/zinc/43/30/77/1376433077.db2.gz LJAKQNUNJARMMM-NEPJUHHUSA-N 2 1 329.307 3.203 20 0 EGADMP Cc1sc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1Br ZINC001232291826 1376433079 /nfs/dbraw/zinc/43/30/79/1376433079.db2.gz LJAKQNUNJARMMM-NEPJUHHUSA-N 2 1 329.307 3.203 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001080021561 1357460595 /nfs/dbraw/zinc/46/05/95/1357460595.db2.gz FWVDZUMTSBLYJW-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C ZINC001080021561 1357460596 /nfs/dbraw/zinc/46/05/96/1357460596.db2.gz FWVDZUMTSBLYJW-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C ZINC001080021561 1357460599 /nfs/dbraw/zinc/46/05/99/1357460599.db2.gz FWVDZUMTSBLYJW-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2cc(Br)ncc12 ZINC001232863871 1376525350 /nfs/dbraw/zinc/52/53/50/1376525350.db2.gz WBGTZHFVBMJSFJ-UHFFFAOYSA-N 2 1 339.281 3.099 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC3CCCC3)C[C@H]2C)CC1 ZINC001080700286 1357723480 /nfs/dbraw/zinc/72/34/80/1357723480.db2.gz UVPRBUJMDBIYFW-YLJYHZDGSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984774 1358937476 /nfs/dbraw/zinc/93/74/76/1358937476.db2.gz MXHPKRZARICBRH-HXUWFJFHSA-N 2 1 345.531 3.331 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[N@@H+]1CC1CCC1 ZINC001071545681 1354757731 /nfs/dbraw/zinc/75/77/31/1354757731.db2.gz CKBBDJAAKJHPKV-WMLDXEAASA-N 2 1 349.544 3.193 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[N@H+]1CC1CCC1 ZINC001071545681 1354757734 /nfs/dbraw/zinc/75/77/34/1354757734.db2.gz CKBBDJAAKJHPKV-WMLDXEAASA-N 2 1 349.544 3.193 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CCC(C)(C)C ZINC001071646162 1354824346 /nfs/dbraw/zinc/82/43/46/1354824346.db2.gz SNLDPTRBDFBCED-SJORKVTESA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@H+]1CCC(C)(C)C ZINC001071653004 1354827798 /nfs/dbraw/zinc/82/77/98/1354827798.db2.gz RBTNADLZCXTKBZ-DOTOQJQBSA-N 2 1 342.487 3.353 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CCCC1CCC1 ZINC001071822205 1354962037 /nfs/dbraw/zinc/96/20/37/1354962037.db2.gz VTXPTAMKPFIIHL-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CCCC1CCC1 ZINC001071822205 1354962040 /nfs/dbraw/zinc/96/20/40/1354962040.db2.gz VTXPTAMKPFIIHL-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CCCC1CCC1 ZINC001071822205 1354962044 /nfs/dbraw/zinc/96/20/44/1354962044.db2.gz VTXPTAMKPFIIHL-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC3CC3)C2)o1 ZINC001072109576 1355136638 /nfs/dbraw/zinc/13/66/38/1355136638.db2.gz JHSLWRDJRPABJQ-NVXWUHKLSA-N 2 1 347.503 3.114 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC2CC(C)(C)C2)CC[N@H+]1C ZINC001074018297 1356037489 /nfs/dbraw/zinc/03/74/89/1356037489.db2.gz VNBDUAGZMRXBSS-BHIYHBOVSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CC(C)(C)C2)CC[NH+]1C ZINC001074018297 1356037492 /nfs/dbraw/zinc/03/74/92/1356037492.db2.gz VNBDUAGZMRXBSS-BHIYHBOVSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CC(C)(C)C2)CC[NH+]1C ZINC001074018297 1356037496 /nfs/dbraw/zinc/03/74/96/1356037496.db2.gz VNBDUAGZMRXBSS-BHIYHBOVSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001074693512 1356224679 /nfs/dbraw/zinc/22/46/79/1356224679.db2.gz DKTPSYYNPOFDSV-UHOSZYNNSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458888 1356391410 /nfs/dbraw/zinc/39/14/10/1356391410.db2.gz SALREMZGPVYZGB-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458888 1356391414 /nfs/dbraw/zinc/39/14/14/1356391414.db2.gz SALREMZGPVYZGB-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458888 1356391418 /nfs/dbraw/zinc/39/14/18/1356391418.db2.gz SALREMZGPVYZGB-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458911 1356391877 /nfs/dbraw/zinc/39/18/77/1356391877.db2.gz SPIKJFUIFYAPNV-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458911 1356391881 /nfs/dbraw/zinc/39/18/81/1356391881.db2.gz SPIKJFUIFYAPNV-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458911 1356391886 /nfs/dbraw/zinc/39/18/86/1356391886.db2.gz SPIKJFUIFYAPNV-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001099107388 1363626391 /nfs/dbraw/zinc/62/63/91/1363626391.db2.gz YWHDZRSMIGYQBZ-ZSQQTYLHSA-N 2 1 349.563 3.290 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001099298303 1363737365 /nfs/dbraw/zinc/73/73/65/1363737365.db2.gz KMWNKGKOTKQFLO-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001099298303 1363737370 /nfs/dbraw/zinc/73/73/70/1363737370.db2.gz KMWNKGKOTKQFLO-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001099298303 1363737371 /nfs/dbraw/zinc/73/73/71/1363737371.db2.gz KMWNKGKOTKQFLO-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(CC)CC)[C@H]2C1 ZINC001084952633 1358354181 /nfs/dbraw/zinc/35/41/81/1358354181.db2.gz BCXBIXXUQCKZEE-AABGKKOBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(CC)CC)[C@H]2C1 ZINC001084952633 1358354184 /nfs/dbraw/zinc/35/41/84/1358354184.db2.gz BCXBIXXUQCKZEE-AABGKKOBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(CC)CC)[C@H]2C1 ZINC001084952633 1358354188 /nfs/dbraw/zinc/35/41/88/1358354188.db2.gz BCXBIXXUQCKZEE-AABGKKOBSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001085153006 1358413985 /nfs/dbraw/zinc/41/39/85/1358413985.db2.gz YRALPFFNWIHLBI-QRVBRYPASA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC001085225030 1358437731 /nfs/dbraw/zinc/43/77/31/1358437731.db2.gz FJVZCNIIQZJPJM-IPMKNSEASA-N 2 1 335.536 3.066 20 0 EGADMP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085308100 1358462375 /nfs/dbraw/zinc/46/23/75/1358462375.db2.gz CTHYKAJOYZJVSS-VAMGGRTRSA-N 2 1 349.563 3.457 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001085424380 1358495633 /nfs/dbraw/zinc/49/56/33/1358495633.db2.gz MEJAWACMCFHCKM-RTBURBONSA-N 2 1 346.519 3.179 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCC2CCCCC2)CC[N@H+]1C ZINC001085782793 1358758845 /nfs/dbraw/zinc/75/88/45/1358758845.db2.gz DRPFBHGFTKHKRF-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCC2CCCCC2)CC[NH+]1C ZINC001085782793 1358758847 /nfs/dbraw/zinc/75/88/47/1358758847.db2.gz DRPFBHGFTKHKRF-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCC2CCCCC2)CC[NH+]1C ZINC001085782793 1358758851 /nfs/dbraw/zinc/75/88/51/1358758851.db2.gz DRPFBHGFTKHKRF-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001085855888 1358822791 /nfs/dbraw/zinc/82/27/91/1358822791.db2.gz LZHIQLFOVNFHCJ-MOPGFXCFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001085855888 1358822792 /nfs/dbraw/zinc/82/27/92/1358822792.db2.gz LZHIQLFOVNFHCJ-MOPGFXCFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001085855888 1358822794 /nfs/dbraw/zinc/82/27/94/1358822794.db2.gz LZHIQLFOVNFHCJ-MOPGFXCFSA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC(C)C ZINC001085919045 1358878240 /nfs/dbraw/zinc/87/82/40/1358878240.db2.gz RHVZLIKMABBMCC-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC(C)C ZINC001085919045 1358878247 /nfs/dbraw/zinc/87/82/47/1358878247.db2.gz RHVZLIKMABBMCC-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)C ZINC001085919045 1358878249 /nfs/dbraw/zinc/87/82/49/1358878249.db2.gz RHVZLIKMABBMCC-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCC1 ZINC001085918646 1358878898 /nfs/dbraw/zinc/87/88/98/1358878898.db2.gz JKJAHVSKUBXHCD-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCC1 ZINC001085918646 1358878900 /nfs/dbraw/zinc/87/89/00/1358878900.db2.gz JKJAHVSKUBXHCD-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCC1 ZINC001085918646 1358878905 /nfs/dbraw/zinc/87/89/05/1358878905.db2.gz JKJAHVSKUBXHCD-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001085988161 1358938701 /nfs/dbraw/zinc/93/87/01/1358938701.db2.gz WRSIMOZBSOIFJZ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001085988161 1358938704 /nfs/dbraw/zinc/93/87/04/1358938704.db2.gz WRSIMOZBSOIFJZ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCCC1 ZINC001085988161 1358938708 /nfs/dbraw/zinc/93/87/08/1358938708.db2.gz WRSIMOZBSOIFJZ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086084329 1358991816 /nfs/dbraw/zinc/99/18/16/1358991816.db2.gz MGUPTSHFVQADAQ-VWAQSERHSA-N 2 1 349.563 3.170 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086084200 1358992095 /nfs/dbraw/zinc/99/20/95/1358992095.db2.gz HQWDMCXCBLACCI-HSALFYBXSA-N 2 1 347.547 3.234 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC001086122813 1359002956 /nfs/dbraw/zinc/00/29/56/1359002956.db2.gz ZECLESJSAFSQRG-GSEOLPGOSA-N 2 1 343.515 3.106 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001086175494 1359015330 /nfs/dbraw/zinc/01/53/30/1359015330.db2.gz ZBQJHJSZDBOFJS-YTQUADARSA-N 2 1 349.563 3.029 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC001086875626 1359218912 /nfs/dbraw/zinc/21/89/12/1359218912.db2.gz ZSTMMYPLBNKKCL-SLFFLAALSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001086927076 1359251954 /nfs/dbraw/zinc/25/19/54/1359251954.db2.gz RNJXMBDVHKICMU-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001087235973 1359328252 /nfs/dbraw/zinc/32/82/52/1359328252.db2.gz BSGNYAZLEABRRZ-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303493 1359387101 /nfs/dbraw/zinc/38/71/01/1359387101.db2.gz MLXAYAJBMDCHHY-NEWSRXKRSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303493 1359387106 /nfs/dbraw/zinc/38/71/06/1359387106.db2.gz MLXAYAJBMDCHHY-NEWSRXKRSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303493 1359387107 /nfs/dbraw/zinc/38/71/07/1359387107.db2.gz MLXAYAJBMDCHHY-NEWSRXKRSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001087306515 1359393299 /nfs/dbraw/zinc/39/32/99/1359393299.db2.gz JWRUFRSMBOCTBQ-YZGWKJHDSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CC=C(C)C ZINC001087572172 1359537513 /nfs/dbraw/zinc/53/75/13/1359537513.db2.gz FODBPXOQFLPWRU-ZWKOTPCHSA-N 2 1 335.536 3.186 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CCC1CCCCC1 ZINC001087625850 1359562234 /nfs/dbraw/zinc/56/22/34/1359562234.db2.gz WRQOAHBEPGCTKQ-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CCC1CCCCC1 ZINC001087625850 1359562237 /nfs/dbraw/zinc/56/22/37/1359562237.db2.gz WRQOAHBEPGCTKQ-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CCC1CCCCC1 ZINC001087625850 1359562239 /nfs/dbraw/zinc/56/22/39/1359562239.db2.gz WRQOAHBEPGCTKQ-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CCC1CCCCC1 ZINC001087625850 1359562245 /nfs/dbraw/zinc/56/22/45/1359562245.db2.gz WRQOAHBEPGCTKQ-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC[N@H+]1CCC(C)(C)C ZINC001087671991 1359582850 /nfs/dbraw/zinc/58/28/50/1359582850.db2.gz YXCLJEGCNYFXBI-IPMKNSEASA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC[NH+]1CCC1CC1 ZINC001087749231 1359626395 /nfs/dbraw/zinc/62/63/95/1359626395.db2.gz AIUBEXPYFSHKHK-IPMKNSEASA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC[N@H+]1CCC1CC1 ZINC001087749231 1359626391 /nfs/dbraw/zinc/62/63/91/1359626391.db2.gz AIUBEXPYFSHKHK-IPMKNSEASA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC[NH+]1CCC1CC1 ZINC001087749231 1359626399 /nfs/dbraw/zinc/62/63/99/1359626399.db2.gz AIUBEXPYFSHKHK-IPMKNSEASA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC[N@H+]1CC=C(C)C ZINC001087749584 1359626890 /nfs/dbraw/zinc/62/68/90/1359626890.db2.gz QISQQNWTYKRYCT-IPMKNSEASA-N 2 1 335.536 3.185 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC[NH+]1CC=C(C)C ZINC001087749584 1359626893 /nfs/dbraw/zinc/62/68/93/1359626893.db2.gz QISQQNWTYKRYCT-IPMKNSEASA-N 2 1 335.536 3.185 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC[NH+]1CC=C(C)C ZINC001087749584 1359626895 /nfs/dbraw/zinc/62/68/95/1359626895.db2.gz QISQQNWTYKRYCT-IPMKNSEASA-N 2 1 335.536 3.185 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129769 1359768226 /nfs/dbraw/zinc/76/82/26/1359768226.db2.gz DZLLAIILAFEVLB-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001088129769 1359768229 /nfs/dbraw/zinc/76/82/29/1359768229.db2.gz DZLLAIILAFEVLB-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001088129769 1359768232 /nfs/dbraw/zinc/76/82/32/1359768232.db2.gz DZLLAIILAFEVLB-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001088280296 1359825684 /nfs/dbraw/zinc/82/56/84/1359825684.db2.gz NNPDHTGYQNLETM-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001088381606 1359864807 /nfs/dbraw/zinc/86/48/07/1359864807.db2.gz IUAHFFCIYFSNOT-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001088424942 1359893577 /nfs/dbraw/zinc/89/35/77/1359893577.db2.gz JPLKVKXNXURCSN-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001088563487 1359973740 /nfs/dbraw/zinc/97/37/40/1359973740.db2.gz SGWXIJAGBVFEOI-NZSAHSFTSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001088563487 1359973742 /nfs/dbraw/zinc/97/37/42/1359973742.db2.gz SGWXIJAGBVFEOI-NZSAHSFTSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001088563487 1359973743 /nfs/dbraw/zinc/97/37/43/1359973743.db2.gz SGWXIJAGBVFEOI-NZSAHSFTSA-N 2 1 347.547 3.019 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC3CC(C)(C)C3)[C@@H]2C)C1 ZINC001088810293 1360059124 /nfs/dbraw/zinc/05/91/24/1360059124.db2.gz VCSXWUIWKPWFOG-NEWSRXKRSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CC3CC(C)(C)C3)[C@@H]2C)C1 ZINC001088810293 1360059130 /nfs/dbraw/zinc/05/91/30/1360059130.db2.gz VCSXWUIWKPWFOG-NEWSRXKRSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CC3CC(C)(C)C3)[C@@H]2C)C1 ZINC001088810293 1360059137 /nfs/dbraw/zinc/05/91/37/1360059137.db2.gz VCSXWUIWKPWFOG-NEWSRXKRSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812225 1360060932 /nfs/dbraw/zinc/06/09/32/1360060932.db2.gz SAHIXIJKOMCZFU-NEWSRXKRSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088812225 1360060936 /nfs/dbraw/zinc/06/09/36/1360060936.db2.gz SAHIXIJKOMCZFU-NEWSRXKRSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088812225 1360060939 /nfs/dbraw/zinc/06/09/39/1360060939.db2.gz SAHIXIJKOMCZFU-NEWSRXKRSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)[C@@H]1C ZINC001088898350 1360097741 /nfs/dbraw/zinc/09/77/41/1360097741.db2.gz AYXSVPUAFBMATP-FGTMMUONSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)[C@@H]1C ZINC001088898350 1360097743 /nfs/dbraw/zinc/09/77/43/1360097743.db2.gz AYXSVPUAFBMATP-FGTMMUONSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H]1C ZINC001088898350 1360097745 /nfs/dbraw/zinc/09/77/45/1360097745.db2.gz AYXSVPUAFBMATP-FGTMMUONSA-N 2 1 337.552 3.265 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001089226331 1360268196 /nfs/dbraw/zinc/26/81/96/1360268196.db2.gz FTCVUXZGNYENEA-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCCC[C@H]2C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001089226331 1360268201 /nfs/dbraw/zinc/26/82/01/1360268201.db2.gz FTCVUXZGNYENEA-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001089226331 1360268205 /nfs/dbraw/zinc/26/82/05/1360268205.db2.gz FTCVUXZGNYENEA-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](CCC3CC3)CC(C)(C)C2)CC[N@H+]1C ZINC001089475278 1360458662 /nfs/dbraw/zinc/45/86/62/1360458662.db2.gz ADGZSACLKOVTFW-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+](CCC3CC3)CC(C)(C)C2)CC[NH+]1C ZINC001089475278 1360458671 /nfs/dbraw/zinc/45/86/71/1360458671.db2.gz ADGZSACLKOVTFW-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC3CC3)CC(C)(C)C2)CC[NH+]1C ZINC001089475278 1360458673 /nfs/dbraw/zinc/45/86/73/1360458673.db2.gz ADGZSACLKOVTFW-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC)CC(C)(C)C1 ZINC001089538584 1360496638 /nfs/dbraw/zinc/49/66/38/1360496638.db2.gz XDFAENSNLYHGII-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC)CC(C)(C)C1 ZINC001089538584 1360496640 /nfs/dbraw/zinc/49/66/40/1360496640.db2.gz XDFAENSNLYHGII-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC)CC(C)(C)C1 ZINC001089538584 1360496641 /nfs/dbraw/zinc/49/66/41/1360496641.db2.gz XDFAENSNLYHGII-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089565419 1360512499 /nfs/dbraw/zinc/51/24/99/1360512499.db2.gz RMXODRKCDKQBDE-SFHVURJKSA-N 2 1 345.531 3.377 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089646029 1360557755 /nfs/dbraw/zinc/55/77/55/1360557755.db2.gz HBWKCTLCCXFHSI-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001089646029 1360557757 /nfs/dbraw/zinc/55/77/57/1360557757.db2.gz HBWKCTLCCXFHSI-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCC1 ZINC001089646029 1360557761 /nfs/dbraw/zinc/55/77/61/1360557761.db2.gz HBWKCTLCCXFHSI-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001089685513 1360590913 /nfs/dbraw/zinc/59/09/13/1360590913.db2.gz DFLPBKBFJXVDOR-RTBURBONSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001089685513 1360590915 /nfs/dbraw/zinc/59/09/15/1360590915.db2.gz DFLPBKBFJXVDOR-RTBURBONSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001089685513 1360590918 /nfs/dbraw/zinc/59/09/18/1360590918.db2.gz DFLPBKBFJXVDOR-RTBURBONSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CCC2)CC[N@H+]1C ZINC001089686725 1360592575 /nfs/dbraw/zinc/59/25/75/1360592575.db2.gz XIUFJNHQOOIUCC-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC2CCC2)CC[NH+]1C ZINC001089686725 1360592577 /nfs/dbraw/zinc/59/25/77/1360592577.db2.gz XIUFJNHQOOIUCC-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC2CCC2)CC[NH+]1C ZINC001089686725 1360592579 /nfs/dbraw/zinc/59/25/79/1360592579.db2.gz XIUFJNHQOOIUCC-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089723850 1360627094 /nfs/dbraw/zinc/62/70/94/1360627094.db2.gz PAWABBHSJITFSB-KRWDZBQOSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089725713 1360628329 /nfs/dbraw/zinc/62/83/29/1360628329.db2.gz KUNICEZEGZBADP-MRXNPFEDSA-N 2 1 346.519 3.168 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089725713 1360628332 /nfs/dbraw/zinc/62/83/32/1360628332.db2.gz KUNICEZEGZBADP-MRXNPFEDSA-N 2 1 346.519 3.168 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CCCC2CCC2)C1 ZINC001089732190 1360636030 /nfs/dbraw/zinc/63/60/30/1360636030.db2.gz OPNKANUVXAIUTM-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CCCC2CCC2)C1 ZINC001089732190 1360636034 /nfs/dbraw/zinc/63/60/34/1360636034.db2.gz OPNKANUVXAIUTM-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CCCC2CCC2)C1 ZINC001089732190 1360636038 /nfs/dbraw/zinc/63/60/38/1360636038.db2.gz OPNKANUVXAIUTM-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001184694830 1387511914 /nfs/dbraw/zinc/51/19/14/1387511914.db2.gz ZQUBGBVOWCRZJW-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092736514 1361451292 /nfs/dbraw/zinc/45/12/92/1361451292.db2.gz TXUQRZTUTOGCNL-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001092736514 1361451296 /nfs/dbraw/zinc/45/12/96/1361451296.db2.gz TXUQRZTUTOGCNL-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001092736514 1361451302 /nfs/dbraw/zinc/45/13/02/1361451302.db2.gz TXUQRZTUTOGCNL-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C[NH2+]CC2CCCCCC2)[C@H](C)C1 ZINC001094040058 1361728307 /nfs/dbraw/zinc/72/83/07/1361728307.db2.gz AZYPHAWUDHTZPD-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC001094582621 1361870571 /nfs/dbraw/zinc/87/05/71/1361870571.db2.gz SMJODBYWNMGXLK-TZIWHRDSSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001095407444 1362130461 /nfs/dbraw/zinc/13/04/61/1362130461.db2.gz ZTFQAQLWDJRGJY-OWSLCNJRSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001095407444 1362130463 /nfs/dbraw/zinc/13/04/63/1362130463.db2.gz ZTFQAQLWDJRGJY-OWSLCNJRSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001095407444 1362130466 /nfs/dbraw/zinc/13/04/66/1362130466.db2.gz ZTFQAQLWDJRGJY-OWSLCNJRSA-N 2 1 335.536 3.017 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001095499207 1362157388 /nfs/dbraw/zinc/15/73/88/1362157388.db2.gz UUDQCBYSJJFVBR-FYQPLNBISA-N 2 1 345.531 3.083 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001095499207 1362157391 /nfs/dbraw/zinc/15/73/91/1362157391.db2.gz UUDQCBYSJJFVBR-FYQPLNBISA-N 2 1 345.531 3.083 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001095499207 1362157394 /nfs/dbraw/zinc/15/73/94/1362157394.db2.gz UUDQCBYSJJFVBR-FYQPLNBISA-N 2 1 345.531 3.083 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001096012084 1362334061 /nfs/dbraw/zinc/33/40/61/1362334061.db2.gz NEXBJMHXQWNFLP-LMCOJAPRSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001096012084 1362334063 /nfs/dbraw/zinc/33/40/63/1362334063.db2.gz NEXBJMHXQWNFLP-LMCOJAPRSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001096012084 1362334068 /nfs/dbraw/zinc/33/40/68/1362334068.db2.gz NEXBJMHXQWNFLP-LMCOJAPRSA-N 2 1 347.547 3.163 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCC2)C1 ZINC001096022372 1362337775 /nfs/dbraw/zinc/33/77/75/1362337775.db2.gz NJHMPYUMPHOQJC-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCC2)C1 ZINC001096022372 1362337779 /nfs/dbraw/zinc/33/77/79/1362337779.db2.gz NJHMPYUMPHOQJC-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001097219217 1362890714 /nfs/dbraw/zinc/89/07/14/1362890714.db2.gz XABATMRWKGEJLH-MKXGPGLRSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097219217 1362890718 /nfs/dbraw/zinc/89/07/18/1362890718.db2.gz XABATMRWKGEJLH-MKXGPGLRSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001097219217 1362890720 /nfs/dbraw/zinc/89/07/20/1362890720.db2.gz XABATMRWKGEJLH-MKXGPGLRSA-N 2 1 335.536 3.017 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1(C)CC[NH+](CC2CCCCCC2)CC1 ZINC001324339489 1387598065 /nfs/dbraw/zinc/59/80/65/1387598065.db2.gz GWWXRNGBNZHDAM-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1)[NH+]1CCCC1 ZINC001097639390 1363086244 /nfs/dbraw/zinc/08/62/44/1363086244.db2.gz RSPFNCWGCPFGPK-QRVBRYPASA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001097848249 1363140683 /nfs/dbraw/zinc/14/06/83/1363140683.db2.gz NUELPHXHERMOSH-NBYUQASBSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001097848249 1363140686 /nfs/dbraw/zinc/14/06/86/1363140686.db2.gz NUELPHXHERMOSH-NBYUQASBSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001097848249 1363140687 /nfs/dbraw/zinc/14/06/87/1363140687.db2.gz NUELPHXHERMOSH-NBYUQASBSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001098460568 1363332415 /nfs/dbraw/zinc/33/24/15/1363332415.db2.gz GORQHNXWKIUWQJ-RLLQIKCJSA-N 2 1 343.515 3.129 20 0 EGADMP CCC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001098975123 1363549488 /nfs/dbraw/zinc/54/94/88/1363549488.db2.gz DNCQIQMXUIMFHS-YMHTTXFNSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001098975123 1363549492 /nfs/dbraw/zinc/54/94/92/1363549492.db2.gz DNCQIQMXUIMFHS-YMHTTXFNSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001098975123 1363549493 /nfs/dbraw/zinc/54/94/93/1363549493.db2.gz DNCQIQMXUIMFHS-YMHTTXFNSA-N 2 1 349.563 3.434 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099063326 1363602826 /nfs/dbraw/zinc/60/28/26/1363602826.db2.gz WLZDMZUJNLETHT-FPOVZHCZSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001099079734 1363612214 /nfs/dbraw/zinc/61/22/14/1363612214.db2.gz IHZBDBJCCBXEOB-IAGOWNOFSA-N 2 1 348.535 3.413 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001099079734 1363612216 /nfs/dbraw/zinc/61/22/16/1363612216.db2.gz IHZBDBJCCBXEOB-IAGOWNOFSA-N 2 1 348.535 3.413 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001099081246 1363613133 /nfs/dbraw/zinc/61/31/33/1363613133.db2.gz ZHYZMGADFPZVAU-NCPJDUFYSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001099081246 1363613134 /nfs/dbraw/zinc/61/31/34/1363613134.db2.gz ZHYZMGADFPZVAU-NCPJDUFYSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001099081246 1363613136 /nfs/dbraw/zinc/61/31/36/1363613136.db2.gz ZHYZMGADFPZVAU-NCPJDUFYSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001099081245 1363613214 /nfs/dbraw/zinc/61/32/14/1363613214.db2.gz ZHYZMGADFPZVAU-HOHRJFBBSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001099081245 1363613216 /nfs/dbraw/zinc/61/32/16/1363613216.db2.gz ZHYZMGADFPZVAU-HOHRJFBBSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001099081245 1363613217 /nfs/dbraw/zinc/61/32/17/1363613217.db2.gz ZHYZMGADFPZVAU-HOHRJFBBSA-N 2 1 349.563 3.290 20 0 EGADMP Cc1ccccc1C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099213366 1363694490 /nfs/dbraw/zinc/69/44/90/1363694490.db2.gz DGBSMOKQYPGTON-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225274 1363700735 /nfs/dbraw/zinc/70/07/35/1363700735.db2.gz QYDBWTDQHYYARH-QZTJIDSGSA-N 2 1 339.568 3.370 20 0 EGADMP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001099270261 1363725303 /nfs/dbraw/zinc/72/53/03/1363725303.db2.gz KBBQZEJMDYMHEM-SFHVURJKSA-N 2 1 348.535 3.379 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001099270261 1363725308 /nfs/dbraw/zinc/72/53/08/1363725308.db2.gz KBBQZEJMDYMHEM-SFHVURJKSA-N 2 1 348.535 3.379 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccccc1 ZINC001099276080 1363727007 /nfs/dbraw/zinc/72/70/07/1363727007.db2.gz MYSSYLFRSJGBRS-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001099281762 1363730156 /nfs/dbraw/zinc/73/01/56/1363730156.db2.gz XVAFJGJFSQSHAW-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1C[C@@H](C)CC ZINC001099321426 1363749056 /nfs/dbraw/zinc/74/90/56/1363749056.db2.gz WNDOQACZFNKMEG-ZWKOTPCHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1C[C@@H](C)CC ZINC001099321426 1363749058 /nfs/dbraw/zinc/74/90/58/1363749058.db2.gz WNDOQACZFNKMEG-ZWKOTPCHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1C[C@@H](C)CC ZINC001099321426 1363749061 /nfs/dbraw/zinc/74/90/61/1363749061.db2.gz WNDOQACZFNKMEG-ZWKOTPCHSA-N 2 1 339.568 3.371 20 0 EGADMP CC1(C)CC[C@@H](CNC(=O)C[NH+]2CCCC2)[N@@H+](CC2CCCCC2)C1 ZINC001099340615 1363760407 /nfs/dbraw/zinc/76/04/07/1363760407.db2.gz WLIFGIFYWVATSJ-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1Cc1ccccc1 ZINC001099353971 1363768006 /nfs/dbraw/zinc/76/80/06/1363768006.db2.gz KQAKGHLYMDPQOU-LJQANCHMSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccccc1 ZINC001099353971 1363768010 /nfs/dbraw/zinc/76/80/10/1363768010.db2.gz KQAKGHLYMDPQOU-LJQANCHMSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccccc1 ZINC001099353971 1363768012 /nfs/dbraw/zinc/76/80/12/1363768012.db2.gz KQAKGHLYMDPQOU-LJQANCHMSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1Cc1ccccc1 ZINC001099353970 1363768547 /nfs/dbraw/zinc/76/85/47/1363768547.db2.gz KQAKGHLYMDPQOU-IBGZPJMESA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccccc1 ZINC001099353970 1363768550 /nfs/dbraw/zinc/76/85/50/1363768550.db2.gz KQAKGHLYMDPQOU-IBGZPJMESA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccccc1 ZINC001099353970 1363768553 /nfs/dbraw/zinc/76/85/53/1363768553.db2.gz KQAKGHLYMDPQOU-IBGZPJMESA-N 2 1 345.531 3.134 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2CC([NH2+]CC(CC)CC)C2)C1 ZINC001100599330 1364183579 /nfs/dbraw/zinc/18/35/79/1364183579.db2.gz SIANVOSATKVLKL-JLAWEPINSA-N 2 1 337.552 3.029 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NCC2CC([NH2+]CCCC3CCCC3)C2)C1 ZINC001100681173 1364215926 /nfs/dbraw/zinc/21/59/26/1364215926.db2.gz ZMJPFEWQUYIQOR-UHFFFAOYSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCCC2CCC2)C1 ZINC001100729652 1364238273 /nfs/dbraw/zinc/23/82/73/1364238273.db2.gz HVDPJZCMEPYTRW-SOAGJPPSSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001100729971 1364238281 /nfs/dbraw/zinc/23/82/81/1364238281.db2.gz YHGSXPWHWLWBBW-ACBHZAAOSA-N 2 1 337.552 3.170 20 0 EGADMP CCCCC[NH2+]C1CC(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001100860034 1364296096 /nfs/dbraw/zinc/29/60/96/1364296096.db2.gz NRZACWWQWPSPNM-UUKMXZOPSA-N 2 1 345.531 3.354 20 0 EGADMP CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001101034814 1364382918 /nfs/dbraw/zinc/38/29/18/1364382918.db2.gz LDJFLMKSHOMBHU-WBUBMEPLSA-N 2 1 343.515 3.130 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC3CCCCC3)C[C@@]2(C)C1 ZINC001101438698 1364563808 /nfs/dbraw/zinc/56/38/08/1364563808.db2.gz OTBPBERCGXSGTA-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC3CCCCC3)C[C@@]2(C)C1 ZINC001101438698 1364563810 /nfs/dbraw/zinc/56/38/10/1364563810.db2.gz OTBPBERCGXSGTA-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@]2(C)C1 ZINC001101438698 1364563812 /nfs/dbraw/zinc/56/38/12/1364563812.db2.gz OTBPBERCGXSGTA-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C(C)(C)C[NH2+]CCC2CC2)CC1 ZINC001101573727 1364628236 /nfs/dbraw/zinc/62/82/36/1364628236.db2.gz AHZNHCMYHKRFMN-KRWDZBQOSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001101963327 1364792094 /nfs/dbraw/zinc/79/20/94/1364792094.db2.gz VJWXAVSXAUPMDD-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001101963327 1364792095 /nfs/dbraw/zinc/79/20/95/1364792095.db2.gz VJWXAVSXAUPMDD-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001101963327 1364792099 /nfs/dbraw/zinc/79/20/99/1364792099.db2.gz VJWXAVSXAUPMDD-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001102101274 1364856397 /nfs/dbraw/zinc/85/63/97/1364856397.db2.gz VXOZRXTYNXBRCL-ZHALLVOQSA-N 2 1 345.531 3.162 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001102101274 1364856402 /nfs/dbraw/zinc/85/64/02/1364856402.db2.gz VXOZRXTYNXBRCL-ZHALLVOQSA-N 2 1 345.531 3.162 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001102101274 1364856405 /nfs/dbraw/zinc/85/64/05/1364856405.db2.gz VXOZRXTYNXBRCL-ZHALLVOQSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1C ZINC001102367037 1365025984 /nfs/dbraw/zinc/02/59/84/1365025984.db2.gz YZUGYGHOKRMKPF-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1C ZINC001102367037 1365025987 /nfs/dbraw/zinc/02/59/87/1365025987.db2.gz YZUGYGHOKRMKPF-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1C ZINC001102367037 1365025990 /nfs/dbraw/zinc/02/59/90/1365025990.db2.gz YZUGYGHOKRMKPF-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102432110 1365051731 /nfs/dbraw/zinc/05/17/31/1365051731.db2.gz MJDVAYZANUFGEN-QZTJIDSGSA-N 2 1 346.519 3.047 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102432110 1365051735 /nfs/dbraw/zinc/05/17/35/1365051735.db2.gz MJDVAYZANUFGEN-QZTJIDSGSA-N 2 1 346.519 3.047 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102466261 1365070995 /nfs/dbraw/zinc/07/09/95/1365070995.db2.gz LDBBVAAWPUKYDR-VQIMIIECSA-N 2 1 348.535 3.092 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102466261 1365070998 /nfs/dbraw/zinc/07/09/98/1365070998.db2.gz LDBBVAAWPUKYDR-VQIMIIECSA-N 2 1 348.535 3.092 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC001185444828 1387718143 /nfs/dbraw/zinc/71/81/43/1387718143.db2.gz CASOTQDNIIPYBZ-ICSRJNTNSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@H](C)c2ccccc2C)C[C@H]1C ZINC001102525213 1365098813 /nfs/dbraw/zinc/09/88/13/1365098813.db2.gz PXSHNFCTZCYWOG-GUDVDZBRSA-N 2 1 345.531 3.082 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2C)C[C@H]1C ZINC001102525213 1365098819 /nfs/dbraw/zinc/09/88/19/1365098819.db2.gz PXSHNFCTZCYWOG-GUDVDZBRSA-N 2 1 345.531 3.082 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)c2ccccc2C)C[C@H]1C ZINC001102525213 1365098825 /nfs/dbraw/zinc/09/88/25/1365098825.db2.gz PXSHNFCTZCYWOG-GUDVDZBRSA-N 2 1 345.531 3.082 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102601750 1365131281 /nfs/dbraw/zinc/13/12/81/1365131281.db2.gz OPGONWGMVCGJEM-CEXWTWQISA-N 2 1 345.531 3.080 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601750 1365131287 /nfs/dbraw/zinc/13/12/87/1365131287.db2.gz OPGONWGMVCGJEM-CEXWTWQISA-N 2 1 345.531 3.080 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601750 1365131289 /nfs/dbraw/zinc/13/12/89/1365131289.db2.gz OPGONWGMVCGJEM-CEXWTWQISA-N 2 1 345.531 3.080 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102781782 1365215909 /nfs/dbraw/zinc/21/59/09/1365215909.db2.gz BRBBAUQPFGRSRN-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001102781782 1365215913 /nfs/dbraw/zinc/21/59/13/1365215913.db2.gz BRBBAUQPFGRSRN-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001102781782 1365215915 /nfs/dbraw/zinc/21/59/15/1365215915.db2.gz BRBBAUQPFGRSRN-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103085335 1365373170 /nfs/dbraw/zinc/37/31/70/1365373170.db2.gz QHNHBDGNZVQYGN-QWFCFKBJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001103085335 1365373173 /nfs/dbraw/zinc/37/31/73/1365373173.db2.gz QHNHBDGNZVQYGN-QWFCFKBJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001103085335 1365373175 /nfs/dbraw/zinc/37/31/75/1365373175.db2.gz QHNHBDGNZVQYGN-QWFCFKBJSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090526 1365376275 /nfs/dbraw/zinc/37/62/75/1365376275.db2.gz WYILHAIQQBFXJP-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC001103090526 1365376277 /nfs/dbraw/zinc/37/62/77/1365376277.db2.gz WYILHAIQQBFXJP-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001103090526 1365376279 /nfs/dbraw/zinc/37/62/79/1365376279.db2.gz WYILHAIQQBFXJP-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103111677 1365387288 /nfs/dbraw/zinc/38/72/88/1365387288.db2.gz IIFIHJQQDRLMAZ-QRQLOZEOSA-N 2 1 339.568 3.083 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103157989 1365414364 /nfs/dbraw/zinc/41/43/64/1365414364.db2.gz MTYPNYUEAPEQGB-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001103157989 1365414365 /nfs/dbraw/zinc/41/43/65/1365414365.db2.gz MTYPNYUEAPEQGB-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001103157989 1365414366 /nfs/dbraw/zinc/41/43/66/1365414366.db2.gz MTYPNYUEAPEQGB-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001185548158 1387745019 /nfs/dbraw/zinc/74/50/19/1387745019.db2.gz KJFJVBIKJLURMW-QUCCMNQESA-N 2 1 349.563 3.293 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001103495925 1365597224 /nfs/dbraw/zinc/59/72/24/1365597224.db2.gz ZNUXQTIVZHYRMF-CEXWTWQISA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCCC(C)C)C[C@H]1C ZINC001103662862 1365710764 /nfs/dbraw/zinc/71/07/64/1365710764.db2.gz XCRLCUMUPATTEC-RTBURBONSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1C ZINC001103662862 1365710765 /nfs/dbraw/zinc/71/07/65/1365710765.db2.gz XCRLCUMUPATTEC-RTBURBONSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001103662862 1365710767 /nfs/dbraw/zinc/71/07/67/1365710767.db2.gz XCRLCUMUPATTEC-RTBURBONSA-N 2 1 339.568 3.229 20 0 EGADMP CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001104753498 1366157637 /nfs/dbraw/zinc/15/76/37/1366157637.db2.gz DBOAGEYYYKYQGO-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001185751036 1387789545 /nfs/dbraw/zinc/78/95/45/1387789545.db2.gz NPQCWXIDKQEILU-UYAOXDASSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001105013383 1366274194 /nfs/dbraw/zinc/27/41/94/1366274194.db2.gz KGSMNRMNQQVENQ-WAQVGJNASA-N 2 1 346.519 3.012 20 0 EGADMP CC(C)[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001105396808 1366446022 /nfs/dbraw/zinc/44/60/22/1366446022.db2.gz WOQRNIAMSPFKFI-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105517928 1366505269 /nfs/dbraw/zinc/50/52/69/1366505269.db2.gz NATVPONFZWIPKU-MOPGFXCFSA-N 2 1 347.547 3.188 20 0 EGADMP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CCC1 ZINC001105541563 1366519986 /nfs/dbraw/zinc/51/99/86/1366519986.db2.gz DOSQCVRBYATINO-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)CCC1 ZINC001105563878 1366533331 /nfs/dbraw/zinc/53/33/31/1366533331.db2.gz SVUADADHJLVHBE-GOSISDBHSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106715977 1366779600 /nfs/dbraw/zinc/77/96/00/1366779600.db2.gz RTVUCSHREXUZKU-IKSUFZCESA-N 2 1 346.519 3.047 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001107035891 1366862241 /nfs/dbraw/zinc/86/22/41/1366862241.db2.gz DERZUOFGHUCWDB-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439314 1366963636 /nfs/dbraw/zinc/96/36/36/1366963636.db2.gz VMAXINVSDHXBJV-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521033 1367016207 /nfs/dbraw/zinc/01/62/07/1367016207.db2.gz IJULZMJJYZDYLZ-YHTLKTDXSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107534005 1367024724 /nfs/dbraw/zinc/02/47/24/1367024724.db2.gz RQKVTZHMNYXBGG-YCIUYBBHSA-N 2 1 349.563 3.290 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](C[C@H](C)CC)C[C@H]21 ZINC001189454162 1367026005 /nfs/dbraw/zinc/02/60/05/1367026005.db2.gz SBJPYOLNUBTDDO-CEXWTWQISA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](C[C@H](C)CC)C[C@H]21 ZINC001189454162 1367026006 /nfs/dbraw/zinc/02/60/06/1367026006.db2.gz SBJPYOLNUBTDDO-CEXWTWQISA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)CC)C[C@H]21 ZINC001189454162 1367026012 /nfs/dbraw/zinc/02/60/12/1367026012.db2.gz SBJPYOLNUBTDDO-CEXWTWQISA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107550548 1367038871 /nfs/dbraw/zinc/03/88/71/1367038871.db2.gz ZXYMZZIVQTWSRD-QKNQBKEWSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107550548 1367038878 /nfs/dbraw/zinc/03/88/78/1367038878.db2.gz ZXYMZZIVQTWSRD-QKNQBKEWSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107550548 1367038883 /nfs/dbraw/zinc/03/88/83/1367038883.db2.gz ZXYMZZIVQTWSRD-QKNQBKEWSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CCCC1)CC2)[NH+](C)C ZINC001107554692 1367040573 /nfs/dbraw/zinc/04/05/73/1367040573.db2.gz JPAIZTBAOXEWCY-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107598747 1367065318 /nfs/dbraw/zinc/06/53/18/1367065318.db2.gz VKAOKRKNZJFBBV-KFHCLJRTSA-N 2 1 349.563 3.435 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001107598747 1367065321 /nfs/dbraw/zinc/06/53/21/1367065321.db2.gz VKAOKRKNZJFBBV-KFHCLJRTSA-N 2 1 349.563 3.435 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001107598747 1367065326 /nfs/dbraw/zinc/06/53/26/1367065326.db2.gz VKAOKRKNZJFBBV-KFHCLJRTSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001189622181 1367071292 /nfs/dbraw/zinc/07/12/92/1367071292.db2.gz PWZWPBHZTCTLHM-VQTJNVASSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633115 1367084010 /nfs/dbraw/zinc/08/40/10/1367084010.db2.gz KOTSXYKMJTXCIE-SFHLNBCPSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)C ZINC001109371636 1367091493 /nfs/dbraw/zinc/09/14/93/1367091493.db2.gz NIVKROSTLJLXHK-YDZRNGNQSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)C ZINC001109371636 1367091500 /nfs/dbraw/zinc/09/15/00/1367091500.db2.gz NIVKROSTLJLXHK-YDZRNGNQSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C ZINC001109371636 1367091508 /nfs/dbraw/zinc/09/15/08/1367091508.db2.gz NIVKROSTLJLXHK-YDZRNGNQSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109399308 1367103781 /nfs/dbraw/zinc/10/37/81/1367103781.db2.gz FYNRIXNHKMQRFV-ZRNYENFQSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109399308 1367103786 /nfs/dbraw/zinc/10/37/86/1367103786.db2.gz FYNRIXNHKMQRFV-ZRNYENFQSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001109399308 1367103792 /nfs/dbraw/zinc/10/37/92/1367103792.db2.gz FYNRIXNHKMQRFV-ZRNYENFQSA-N 2 1 349.563 3.407 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672745 1367274532 /nfs/dbraw/zinc/27/45/32/1367274532.db2.gz ROURECCIBWJGPQ-NBMRYCAZSA-N 2 1 349.906 3.074 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH+](C)CCCC2CCC2)C1 ZINC001190653112 1367317734 /nfs/dbraw/zinc/31/77/34/1367317734.db2.gz BYWFUCGJOAKIJP-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1 ZINC001190653112 1367317739 /nfs/dbraw/zinc/31/77/39/1367317739.db2.gz BYWFUCGJOAKIJP-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001190653112 1367317744 /nfs/dbraw/zinc/31/77/44/1367317744.db2.gz BYWFUCGJOAKIJP-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656329 1367319864 /nfs/dbraw/zinc/31/98/64/1367319864.db2.gz RZSKKJULIYDIMI-RTBURBONSA-N 2 1 335.536 3.116 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190656329 1367319868 /nfs/dbraw/zinc/31/98/68/1367319868.db2.gz RZSKKJULIYDIMI-RTBURBONSA-N 2 1 335.536 3.116 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190656329 1367319873 /nfs/dbraw/zinc/31/98/73/1367319873.db2.gz RZSKKJULIYDIMI-RTBURBONSA-N 2 1 335.536 3.116 20 0 EGADMP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109846581 1367355064 /nfs/dbraw/zinc/35/50/64/1367355064.db2.gz QGZGDFULKSKHOV-QYZOEREBSA-N 2 1 346.519 3.274 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109846581 1367355071 /nfs/dbraw/zinc/35/50/71/1367355071.db2.gz QGZGDFULKSKHOV-QYZOEREBSA-N 2 1 346.519 3.274 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)C(C)C ZINC001109859976 1367364460 /nfs/dbraw/zinc/36/44/60/1367364460.db2.gz CYGJLNSFPSWVCM-FYQPLNBISA-N 2 1 349.563 3.265 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190891206 1367375913 /nfs/dbraw/zinc/37/59/13/1367375913.db2.gz ZSUMJMOEJBOURU-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190890570 1367376320 /nfs/dbraw/zinc/37/63/20/1367376320.db2.gz SPKRMDUUMDZKIL-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001190997713 1367399881 /nfs/dbraw/zinc/39/98/81/1367399881.db2.gz YAFULUHGDKWDNT-RBUKOAKNSA-N 2 1 345.531 3.401 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001190997713 1367399887 /nfs/dbraw/zinc/39/98/87/1367399887.db2.gz YAFULUHGDKWDNT-RBUKOAKNSA-N 2 1 345.531 3.401 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001190997713 1367399892 /nfs/dbraw/zinc/39/98/92/1367399892.db2.gz YAFULUHGDKWDNT-RBUKOAKNSA-N 2 1 345.531 3.401 20 0 EGADMP C[N@@H+](CCCC1CCC1)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162122 1367437150 /nfs/dbraw/zinc/43/71/50/1367437150.db2.gz MIBCKCJGMIWWPM-SFHVURJKSA-N 2 1 340.471 3.061 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684446 1367560873 /nfs/dbraw/zinc/56/08/73/1367560873.db2.gz RUOCHNWVTODAOX-DVBCCOPCSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001191923480 1367641236 /nfs/dbraw/zinc/64/12/36/1367641236.db2.gz WPBSCTQEIAQUEE-OYQYDDJWSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001191923480 1367641237 /nfs/dbraw/zinc/64/12/37/1367641237.db2.gz WPBSCTQEIAQUEE-OYQYDDJWSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001191923480 1367641239 /nfs/dbraw/zinc/64/12/39/1367641239.db2.gz WPBSCTQEIAQUEE-OYQYDDJWSA-N 2 1 349.563 3.388 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192030392 1367669664 /nfs/dbraw/zinc/66/96/64/1367669664.db2.gz QIKVUJDFSKHDFS-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP C[NH+](CCCC1CCC1)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192407404 1367775962 /nfs/dbraw/zinc/77/59/62/1367775962.db2.gz VSJQXLPAPWQUGW-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1)CC(C)(C)C ZINC001192407404 1367775967 /nfs/dbraw/zinc/77/59/67/1367775967.db2.gz VSJQXLPAPWQUGW-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1)CC(C)(C)C ZINC001192407404 1367775974 /nfs/dbraw/zinc/77/59/74/1367775974.db2.gz VSJQXLPAPWQUGW-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110550602 1367826865 /nfs/dbraw/zinc/82/68/65/1367826865.db2.gz WRUNOQRLLPJZPF-YRXWBPOGSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001110550602 1367826872 /nfs/dbraw/zinc/82/68/72/1367826872.db2.gz WRUNOQRLLPJZPF-YRXWBPOGSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001110550602 1367826876 /nfs/dbraw/zinc/82/68/76/1367826876.db2.gz WRUNOQRLLPJZPF-YRXWBPOGSA-N 2 1 349.563 3.407 20 0 EGADMP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192598020 1367828777 /nfs/dbraw/zinc/82/87/77/1367828777.db2.gz ZCDKSPJJKAMUNZ-JTHGQSKGSA-N 2 1 346.519 3.286 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192598020 1367828780 /nfs/dbraw/zinc/82/87/80/1367828780.db2.gz ZCDKSPJJKAMUNZ-JTHGQSKGSA-N 2 1 346.519 3.286 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192655612 1367843359 /nfs/dbraw/zinc/84/33/59/1367843359.db2.gz NAQOUPPLWBXXMN-IEBWSBKVSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192654273 1367843910 /nfs/dbraw/zinc/84/39/10/1367843910.db2.gz FINFXNLJXTUDNA-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001110626448 1367875242 /nfs/dbraw/zinc/87/52/42/1367875242.db2.gz BGFZIEBSKOJVBL-GDFACCDQSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001110626448 1367875246 /nfs/dbraw/zinc/87/52/46/1367875246.db2.gz BGFZIEBSKOJVBL-GDFACCDQSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001110626448 1367875248 /nfs/dbraw/zinc/87/52/48/1367875248.db2.gz BGFZIEBSKOJVBL-GDFACCDQSA-N 2 1 347.547 3.329 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)C ZINC001110626718 1367875575 /nfs/dbraw/zinc/87/55/75/1367875575.db2.gz NIVKROSTLJLXHK-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)C ZINC001110626718 1367875581 /nfs/dbraw/zinc/87/55/81/1367875581.db2.gz NIVKROSTLJLXHK-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C ZINC001110626718 1367875588 /nfs/dbraw/zinc/87/55/88/1367875588.db2.gz NIVKROSTLJLXHK-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CC1CCC(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2([NH+](C)C)CCC2)C3)CC1 ZINC001110664095 1367905176 /nfs/dbraw/zinc/90/51/76/1367905176.db2.gz GPUKBOSMDKAHLQ-JIARVOFWSA-N 2 1 347.547 3.019 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC2=CCCCC2)C1)C(C)C ZINC001192923932 1367905970 /nfs/dbraw/zinc/90/59/70/1367905970.db2.gz QKTFWVHNCNTUGT-VQTJNVASSA-N 2 1 349.563 3.386 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC=C(C)C)C1 ZINC001193383695 1368016774 /nfs/dbraw/zinc/01/67/74/1368016774.db2.gz WRONVQVBDSEFTE-MOPGFXCFSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC=C(C)C)C1 ZINC001193383695 1368016780 /nfs/dbraw/zinc/01/67/80/1368016780.db2.gz WRONVQVBDSEFTE-MOPGFXCFSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001193383695 1368016788 /nfs/dbraw/zinc/01/67/88/1368016788.db2.gz WRONVQVBDSEFTE-MOPGFXCFSA-N 2 1 335.536 3.140 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2c(C)cccc2C)C1 ZINC001193601110 1368070367 /nfs/dbraw/zinc/07/03/67/1368070367.db2.gz SFGYLQBPFTWYIR-LJQANCHMSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2c(C)cccc2C)C1 ZINC001193601110 1368070372 /nfs/dbraw/zinc/07/03/72/1368070372.db2.gz SFGYLQBPFTWYIR-LJQANCHMSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2c(C)cccc2C)C1 ZINC001193601110 1368070377 /nfs/dbraw/zinc/07/03/77/1368070377.db2.gz SFGYLQBPFTWYIR-LJQANCHMSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001193610013 1368073707 /nfs/dbraw/zinc/07/37/07/1368073707.db2.gz LCIAZLSZPVCOPR-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001193610013 1368073712 /nfs/dbraw/zinc/07/37/12/1368073712.db2.gz LCIAZLSZPVCOPR-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001193610013 1368073719 /nfs/dbraw/zinc/07/37/19/1368073719.db2.gz LCIAZLSZPVCOPR-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(CC)cc2)C1 ZINC001193609805 1368073932 /nfs/dbraw/zinc/07/39/32/1368073932.db2.gz JIYCGELITYEVRO-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(CC)cc2)C1 ZINC001193609805 1368073936 /nfs/dbraw/zinc/07/39/36/1368073936.db2.gz JIYCGELITYEVRO-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(CC)cc2)C1 ZINC001193609805 1368073938 /nfs/dbraw/zinc/07/39/38/1368073938.db2.gz JIYCGELITYEVRO-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001111128027 1368162512 /nfs/dbraw/zinc/16/25/12/1368162512.db2.gz RNYKREOFKAEUKS-DDBAPUKQSA-N 2 1 346.519 3.136 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001111128027 1368162515 /nfs/dbraw/zinc/16/25/15/1368162515.db2.gz RNYKREOFKAEUKS-DDBAPUKQSA-N 2 1 346.519 3.136 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001111128027 1368162522 /nfs/dbraw/zinc/16/25/22/1368162522.db2.gz RNYKREOFKAEUKS-DDBAPUKQSA-N 2 1 346.519 3.136 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246533 1368216766 /nfs/dbraw/zinc/21/67/66/1368216766.db2.gz OGLDYXDJKXYWCD-GHOSXJJBSA-N 2 1 343.515 3.251 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194247308 1368216977 /nfs/dbraw/zinc/21/69/77/1368216977.db2.gz WHJXPQQNBSOGGI-LJQANCHMSA-N 2 1 345.531 3.475 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246701 1368217367 /nfs/dbraw/zinc/21/73/67/1368217367.db2.gz QHPZCHSJDHQMQH-SFHVURJKSA-N 2 1 331.504 3.085 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194273893 1368221373 /nfs/dbraw/zinc/22/13/73/1368221373.db2.gz BSLDNDQDGJWMFU-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001194274388 1368221784 /nfs/dbraw/zinc/22/17/84/1368221784.db2.gz HHPCYBIDYMAZHO-ROUUACIJSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429462 1368259676 /nfs/dbraw/zinc/25/96/76/1368259676.db2.gz JFPMSHGWOVNCBZ-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001111308969 1368262692 /nfs/dbraw/zinc/26/26/92/1368262692.db2.gz GBODWLZYGOMHRB-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001111308969 1368262698 /nfs/dbraw/zinc/26/26/98/1368262698.db2.gz GBODWLZYGOMHRB-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001111308969 1368262702 /nfs/dbraw/zinc/26/27/02/1368262702.db2.gz GBODWLZYGOMHRB-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001111450827 1368309975 /nfs/dbraw/zinc/30/99/75/1368309975.db2.gz AYCKGDRLLUFUKX-AQNXPRMDSA-N 2 1 343.515 3.274 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454136 1368310391 /nfs/dbraw/zinc/31/03/91/1368310391.db2.gz MUSOBRRJWVDMAZ-JKKVLMFISA-N 2 1 347.547 3.330 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001111778615 1368457313 /nfs/dbraw/zinc/45/73/13/1368457313.db2.gz GQPJBJXBZKWDMM-ICPTVLRXSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001111778615 1368457316 /nfs/dbraw/zinc/45/73/16/1368457316.db2.gz GQPJBJXBZKWDMM-ICPTVLRXSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821067 1368482461 /nfs/dbraw/zinc/48/24/61/1368482461.db2.gz IYEFRNXNVPCDEV-LQWHRVPQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111854546 1368507394 /nfs/dbraw/zinc/50/73/94/1368507394.db2.gz RAXPPHMPQGTCOY-LMNJBCLMSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC(C)C)C2)[NH+](CC)CC ZINC001111869760 1368517047 /nfs/dbraw/zinc/51/70/47/1368517047.db2.gz IPJAFVIHVNHMPN-NSHGMRRFSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC(C)(C)C)C2)[NH+](C)C ZINC001111874939 1368521433 /nfs/dbraw/zinc/52/14/33/1368521433.db2.gz HXPNMKNGNORKFR-ZWOKBUDYSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001111891285 1368536770 /nfs/dbraw/zinc/53/67/70/1368536770.db2.gz JQGHJEPASLGIIU-GVZHBMFQSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111950883 1368571516 /nfs/dbraw/zinc/57/15/16/1368571516.db2.gz GUJLIULBNAHVMG-AHHPOWTJSA-N 2 1 349.563 3.435 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CCC)C1 ZINC001111950883 1368571519 /nfs/dbraw/zinc/57/15/19/1368571519.db2.gz GUJLIULBNAHVMG-AHHPOWTJSA-N 2 1 349.563 3.435 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001111950883 1368571520 /nfs/dbraw/zinc/57/15/20/1368571520.db2.gz GUJLIULBNAHVMG-AHHPOWTJSA-N 2 1 349.563 3.435 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111949291 1368571710 /nfs/dbraw/zinc/57/17/10/1368571710.db2.gz XGCXFKKGRVIPHJ-GXGIYUIGSA-N 2 1 349.563 3.435 20 0 EGADMP CCC(CC)C[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC001196243160 1368574358 /nfs/dbraw/zinc/57/43/58/1368574358.db2.gz WRWJASNZCOFLQH-LJQANCHMSA-N 2 1 348.535 3.441 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+]([C@@H](C)c2ccccc2)CC1 ZINC001196340797 1368593072 /nfs/dbraw/zinc/59/30/72/1368593072.db2.gz KAWMCZGPGKHHAY-KRWDZBQOSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+]([C@@H](C)c2ccccc2)CC1 ZINC001196340797 1368593074 /nfs/dbraw/zinc/59/30/74/1368593074.db2.gz KAWMCZGPGKHHAY-KRWDZBQOSA-N 2 1 331.504 3.012 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619928 1368651379 /nfs/dbraw/zinc/65/13/79/1368651379.db2.gz PMBIWYKAUHKZIL-BBIZLLLXSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CCCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001196943815 1368718190 /nfs/dbraw/zinc/71/81/90/1368718190.db2.gz SVQDQQNLUYGOLP-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001112285444 1368748722 /nfs/dbraw/zinc/74/87/22/1368748722.db2.gz XODXEQQZQZOMKM-XIHJCQGWSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001197125869 1368749486 /nfs/dbraw/zinc/74/94/86/1368749486.db2.gz NIYJKQUELUFHRQ-MRXNPFEDSA-N 2 1 346.519 3.190 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCCN(C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001197125856 1368749822 /nfs/dbraw/zinc/74/98/22/1368749822.db2.gz NATJSJVPZKEOHA-IRXDYDNUSA-N 2 1 346.519 3.046 20 0 EGADMP CC[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)[NH+](CC)CC ZINC001197134452 1368751943 /nfs/dbraw/zinc/75/19/43/1368751943.db2.gz RAIVWJHSTFZJNR-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CC[C@H](C(=O)N1CCC[N@@H+](CC2=CCCCC2)CC1)[NH+](CC)CC ZINC001197134681 1368752214 /nfs/dbraw/zinc/75/22/14/1368752214.db2.gz VDZIHAAMBALNMA-LJQANCHMSA-N 2 1 335.536 3.142 20 0 EGADMP CCC(CC)C[N@H+]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001197141930 1368753602 /nfs/dbraw/zinc/75/36/02/1368753602.db2.gz PPDPDLFFMGPGGK-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@@H+](CCCC(C)C)CC1)C(C)C ZINC001197484642 1368823866 /nfs/dbraw/zinc/82/38/66/1368823866.db2.gz HMKZVKFCTAZVGL-LJQANCHMSA-N 2 1 339.568 3.323 20 0 EGADMP CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001112437107 1368852701 /nfs/dbraw/zinc/85/27/01/1368852701.db2.gz XXQSQQSGZPDBBR-QOEVCOJSSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCC[N@@H+]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001197767100 1368892864 /nfs/dbraw/zinc/89/28/64/1368892864.db2.gz CRULNLPPIWTTER-NRFANRHFSA-N 2 1 345.531 3.188 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001197767100 1368892865 /nfs/dbraw/zinc/89/28/65/1368892865.db2.gz CRULNLPPIWTTER-NRFANRHFSA-N 2 1 345.531 3.188 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@H+](C/C=C\Cl)CC1 ZINC001197794873 1368898380 /nfs/dbraw/zinc/89/83/80/1368898380.db2.gz NKANSQOLULYBOV-TWGQIWQCSA-N 2 1 343.943 3.175 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](C/C=C\Cl)CC1 ZINC001197794873 1368898384 /nfs/dbraw/zinc/89/83/84/1368898384.db2.gz NKANSQOLULYBOV-TWGQIWQCSA-N 2 1 343.943 3.175 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)N1CCC[NH+](CC=C(C)C)CC1)c1ccccc1 ZINC001197810124 1368903188 /nfs/dbraw/zinc/90/31/88/1368903188.db2.gz SJNUYAXCMZXNGT-HXUWFJFHSA-N 2 1 343.515 3.180 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[NH+](CC=C(C)C)CC1)c1ccccc1 ZINC001197810124 1368903191 /nfs/dbraw/zinc/90/31/91/1368903191.db2.gz SJNUYAXCMZXNGT-HXUWFJFHSA-N 2 1 343.515 3.180 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@H+](CC=C(C)C)CC1)c1ccccc1 ZINC001197810124 1368903195 /nfs/dbraw/zinc/90/31/95/1368903195.db2.gz SJNUYAXCMZXNGT-HXUWFJFHSA-N 2 1 343.515 3.180 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](CC=C(C)C)CC1)c1ccccc1 ZINC001197810124 1368903199 /nfs/dbraw/zinc/90/31/99/1368903199.db2.gz SJNUYAXCMZXNGT-HXUWFJFHSA-N 2 1 343.515 3.180 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001112586139 1368937850 /nfs/dbraw/zinc/93/78/50/1368937850.db2.gz JJOFDSZVCFWBRX-AHHPOWTJSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CCCC2)C1 ZINC001112586059 1368938477 /nfs/dbraw/zinc/93/84/77/1368938477.db2.gz FRKLUBBVTFGYFB-FPOVZHCZSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001198228961 1368984208 /nfs/dbraw/zinc/98/42/08/1368984208.db2.gz BXHBAPXNVBOAMO-UHFFFAOYSA-N 2 1 331.504 3.086 20 0 EGADMP CCCCC[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198258763 1368992120 /nfs/dbraw/zinc/99/21/20/1368992120.db2.gz CTWKYYXBNFSDTK-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198258763 1368992125 /nfs/dbraw/zinc/99/21/25/1368992125.db2.gz CTWKYYXBNFSDTK-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP CCC(CC)C[N@H+]1CCCN(C(=O)CN(C)Cc2ccccc2)CC1 ZINC001198363607 1369015684 /nfs/dbraw/zinc/01/56/84/1369015684.db2.gz CLAJYLCQKDOQFN-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCC(CC)C[N@@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198363607 1369015688 /nfs/dbraw/zinc/01/56/88/1369015688.db2.gz CLAJYLCQKDOQFN-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCC(CC)C[N@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198363607 1369015693 /nfs/dbraw/zinc/01/56/93/1369015693.db2.gz CLAJYLCQKDOQFN-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCC(CC)C[NH+]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001198363607 1369015696 /nfs/dbraw/zinc/01/56/96/1369015696.db2.gz CLAJYLCQKDOQFN-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCC(CC)C[NH+]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001198363607 1369015699 /nfs/dbraw/zinc/01/56/99/1369015699.db2.gz CLAJYLCQKDOQFN-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198364481 1369017359 /nfs/dbraw/zinc/01/73/59/1369017359.db2.gz WZKMACZPTXXEBC-UHFFFAOYSA-N 2 1 337.552 3.367 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001112864802 1369055431 /nfs/dbraw/zinc/05/54/31/1369055431.db2.gz DAPIBOPJMQVRQU-ZWKOTPCHSA-N 2 1 348.535 3.223 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[NH+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001113032673 1369153377 /nfs/dbraw/zinc/15/33/77/1369153377.db2.gz AQEGQWWQCAVVAV-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[NH+](CC)CC ZINC001113341397 1369358986 /nfs/dbraw/zinc/35/89/86/1369358986.db2.gz WBYQWWXUMXIJAF-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001200578033 1369393899 /nfs/dbraw/zinc/39/38/99/1369393899.db2.gz KCSCODQETIAIJC-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001113401619 1369400332 /nfs/dbraw/zinc/40/03/32/1369400332.db2.gz JQRTVALWEDYZOI-UEKDZROGSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001113441737 1369431035 /nfs/dbraw/zinc/43/10/35/1369431035.db2.gz QNNJTHWVWNRLGQ-GDWUOILNSA-N 2 1 337.552 3.243 20 0 EGADMP CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201053060 1369472930 /nfs/dbraw/zinc/47/29/30/1369472930.db2.gz JXLOVHRFULETID-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC001113567904 1369496369 /nfs/dbraw/zinc/49/63/69/1369496369.db2.gz NCQLWGITDPGCLZ-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001113680877 1369562344 /nfs/dbraw/zinc/56/23/44/1369562344.db2.gz WGPQNHVEZAUBPD-SREVYHEPSA-N 2 1 343.515 3.252 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001113682543 1369563450 /nfs/dbraw/zinc/56/34/50/1369563450.db2.gz HGVHDONUDPQWRF-HCZHMGAMSA-N 2 1 349.563 3.388 20 0 EGADMP COc1cc2c(cc1CN[C@@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)OCO2 ZINC001201947036 1369649286 /nfs/dbraw/zinc/64/92/86/1369649286.db2.gz QJAGLRWATMQSMX-GJZGRUSLSA-N 2 1 346.471 3.167 20 0 EGADMP COc1cc2c(cc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C3CCC3)C1)OCO2 ZINC001201947036 1369649289 /nfs/dbraw/zinc/64/92/89/1369649289.db2.gz QJAGLRWATMQSMX-GJZGRUSLSA-N 2 1 346.471 3.167 20 0 EGADMP COc1cc2c(cc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)OCO2 ZINC001201947036 1369649292 /nfs/dbraw/zinc/64/92/92/1369649292.db2.gz QJAGLRWATMQSMX-GJZGRUSLSA-N 2 1 346.471 3.167 20 0 EGADMP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001202144796 1369700340 /nfs/dbraw/zinc/70/03/40/1369700340.db2.gz JLNPFNXQQQZIEE-OOFWQKGWSA-N 2 1 335.536 3.045 20 0 EGADMP CCCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001202156792 1369702819 /nfs/dbraw/zinc/70/28/19/1369702819.db2.gz LFQRBFLQMWADBW-LJQANCHMSA-N 2 1 335.536 3.164 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CCOC3)C[C@H]21 ZINC001202486485 1369787188 /nfs/dbraw/zinc/78/71/88/1369787188.db2.gz NSVRAEWKDWDTDP-PSBWJHGTSA-N 2 1 334.529 3.317 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001202486485 1369787195 /nfs/dbraw/zinc/78/71/95/1369787195.db2.gz NSVRAEWKDWDTDP-PSBWJHGTSA-N 2 1 334.529 3.317 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001202486485 1369787200 /nfs/dbraw/zinc/78/72/00/1369787200.db2.gz NSVRAEWKDWDTDP-PSBWJHGTSA-N 2 1 334.529 3.317 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001202526801 1369799792 /nfs/dbraw/zinc/79/97/92/1369799792.db2.gz PRWRRDHYMATNLH-HJWRWDBZSA-N 2 1 337.552 3.291 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001202539154 1369802840 /nfs/dbraw/zinc/80/28/40/1369802840.db2.gz KOZURBSWXUKMBN-QGZVFWFLSA-N 2 1 339.568 3.227 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC4CCOCC4)CC[C@@H]3C2)cc1 ZINC001202611014 1369823731 /nfs/dbraw/zinc/82/37/31/1369823731.db2.gz IHJFHPVRFVGOCC-NHCUHLMSSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CCOCC4)CC[C@@H]3C2)cc1 ZINC001202611014 1369823736 /nfs/dbraw/zinc/82/37/36/1369823736.db2.gz IHJFHPVRFVGOCC-NHCUHLMSSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC4CCOCC4)CC[C@@H]3C2)cc1 ZINC001202611014 1369823741 /nfs/dbraw/zinc/82/37/41/1369823741.db2.gz IHJFHPVRFVGOCC-NHCUHLMSSA-N 2 1 328.500 3.257 20 0 EGADMP CCC1(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)COC1 ZINC001202935878 1369930200 /nfs/dbraw/zinc/93/02/00/1369930200.db2.gz GXFHVGNXYPLBBG-GOSISDBHSA-N 2 1 332.488 3.383 20 0 EGADMP CN(CC[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C)C(=O)OC(C)(C)C ZINC001203001244 1369950582 /nfs/dbraw/zinc/95/05/82/1369950582.db2.gz YEZURLNPVHEXPP-DLBZAZTESA-N 2 1 339.524 3.192 20 0 EGADMP CN(CC[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C)C(=O)OC(C)(C)C ZINC001203001244 1369950584 /nfs/dbraw/zinc/95/05/84/1369950584.db2.gz YEZURLNPVHEXPP-DLBZAZTESA-N 2 1 339.524 3.192 20 0 EGADMP CN(CC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C)C(=O)OC(C)(C)C ZINC001203001244 1369950587 /nfs/dbraw/zinc/95/05/87/1369950587.db2.gz YEZURLNPVHEXPP-DLBZAZTESA-N 2 1 339.524 3.192 20 0 EGADMP CN(CC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C)C(=O)OC(C)(C)C ZINC001203001244 1369950590 /nfs/dbraw/zinc/95/05/90/1369950590.db2.gz YEZURLNPVHEXPP-DLBZAZTESA-N 2 1 339.524 3.192 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203102228 1369983124 /nfs/dbraw/zinc/98/31/24/1369983124.db2.gz HAJLWTXWEMGGPH-MGSINWNPSA-N 2 1 335.536 3.090 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203103249 1369983852 /nfs/dbraw/zinc/98/38/52/1369983852.db2.gz KOKOAPFAIFSXLU-ROUUACIJSA-N 2 1 349.563 3.314 20 0 EGADMP CCCC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203230546 1370032969 /nfs/dbraw/zinc/03/29/69/1370032969.db2.gz NUEMSKAAJMBNOG-MOPGFXCFSA-N 2 1 349.563 3.458 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]Cc2cccc(CC)c2)CC1 ZINC001203431391 1370123614 /nfs/dbraw/zinc/12/36/14/1370123614.db2.gz FQGZAIPSEGSKBL-UHFFFAOYSA-N 2 1 345.531 3.062 20 0 EGADMP CCCc1ccc(C[NH2+]C2CCN(C(=O)C[N@H+](C)CCC)CC2)cc1 ZINC001203456081 1370133672 /nfs/dbraw/zinc/13/36/72/1370133672.db2.gz PLMFJVYQQMSZAP-UHFFFAOYSA-N 2 1 345.531 3.062 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203507015 1370148130 /nfs/dbraw/zinc/14/81/30/1370148130.db2.gz MUOIOBCLKZOIJX-OALUTQOASA-N 2 1 349.563 3.316 20 0 EGADMP CCOc1ccccc1CN1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001203537218 1370159936 /nfs/dbraw/zinc/15/99/36/1370159936.db2.gz SRCTWXZZTVZECR-RTBURBONSA-N 2 1 337.467 3.044 20 0 EGADMP CCOc1ccccc1CN1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001203537215 1370160273 /nfs/dbraw/zinc/16/02/73/1370160273.db2.gz SRCTWXZZTVZECR-KDURUIRLSA-N 2 1 337.467 3.044 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203791330 1370266256 /nfs/dbraw/zinc/26/62/56/1370266256.db2.gz HGZODZGGKOHNFH-RTBURBONSA-N 2 1 349.563 3.314 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C)c1)C2 ZINC001203890334 1370300981 /nfs/dbraw/zinc/30/09/81/1370300981.db2.gz DVSIWYVBHASLBG-RTWAWAEBSA-N 2 1 328.500 3.175 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(C)c1)C2 ZINC001203890334 1370300985 /nfs/dbraw/zinc/30/09/85/1370300985.db2.gz DVSIWYVBHASLBG-RTWAWAEBSA-N 2 1 328.500 3.175 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(C)c1)C2 ZINC001203890334 1370300988 /nfs/dbraw/zinc/30/09/88/1370300988.db2.gz DVSIWYVBHASLBG-RTWAWAEBSA-N 2 1 328.500 3.175 20 0 EGADMP CC(=O)Nc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001203927130 1370316804 /nfs/dbraw/zinc/31/68/04/1370316804.db2.gz HZAWIGORNCNVFD-PMACEKPBSA-N 2 1 329.488 3.484 20 0 EGADMP CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001203927130 1370316810 /nfs/dbraw/zinc/31/68/10/1370316810.db2.gz HZAWIGORNCNVFD-PMACEKPBSA-N 2 1 329.488 3.484 20 0 EGADMP CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001203927130 1370316813 /nfs/dbraw/zinc/31/68/13/1370316813.db2.gz HZAWIGORNCNVFD-PMACEKPBSA-N 2 1 329.488 3.484 20 0 EGADMP CC/C=C\CC[NH2+]C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001204069394 1370366750 /nfs/dbraw/zinc/36/67/50/1370366750.db2.gz OAVJEXYEJXAVCB-PLNGDYQASA-N 2 1 343.515 3.055 20 0 EGADMP CC/C=C\CC[NH2+]C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001204069394 1370366755 /nfs/dbraw/zinc/36/67/55/1370366755.db2.gz OAVJEXYEJXAVCB-PLNGDYQASA-N 2 1 343.515 3.055 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC001204269242 1370427827 /nfs/dbraw/zinc/42/78/27/1370427827.db2.gz YAKQBUIMUKVBLR-UHFFFAOYSA-N 2 1 332.488 3.020 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCCCC1 ZINC001115450669 1370459192 /nfs/dbraw/zinc/45/91/92/1370459192.db2.gz JEEGUQUWOOXFSS-SFHVURJKSA-N 2 1 347.547 3.070 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115534887 1370531963 /nfs/dbraw/zinc/53/19/63/1370531963.db2.gz AAFMGNJBDQNLDO-GOSISDBHSA-N 2 1 335.536 3.234 20 0 EGADMP C[NH+](C)CCN1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)o2)CC1 ZINC001204693583 1370547154 /nfs/dbraw/zinc/54/71/54/1370547154.db2.gz DLLOHZQFNFTWMN-UHFFFAOYSA-N 2 1 347.890 3.279 20 0 EGADMP Nc1ccc(OC(F)(F)F)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735186 1370559131 /nfs/dbraw/zinc/55/91/31/1370559131.db2.gz NHJNENJZEWNOSV-UHFFFAOYSA-N 2 1 343.393 3.133 20 0 EGADMP COc1ncc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c2ccccc21 ZINC001204742729 1370562182 /nfs/dbraw/zinc/56/21/82/1370562182.db2.gz RQLWJCJBVCFRJB-UHFFFAOYSA-N 2 1 325.456 3.209 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]C[C@@H](C)CC)CCCCC1 ZINC001115563128 1370563144 /nfs/dbraw/zinc/56/31/44/1370563144.db2.gz QULBIMDRZAGVID-ZWKOTPCHSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204756052 1370567779 /nfs/dbraw/zinc/56/77/79/1370567779.db2.gz KIZWBGHANXZLCA-QGZVFWFLSA-N 2 1 328.456 3.177 20 0 EGADMP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204756052 1370567783 /nfs/dbraw/zinc/56/77/83/1370567783.db2.gz KIZWBGHANXZLCA-QGZVFWFLSA-N 2 1 328.456 3.177 20 0 EGADMP CN(Cc1cc2c(s1)C[NH2+]CC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001204869588 1370594021 /nfs/dbraw/zinc/59/40/21/1370594021.db2.gz FFCMVZAGWPSXDC-GOSISDBHSA-N 2 1 341.524 3.100 20 0 EGADMP C[N@H+](Cc1cc2c(s1)C[NH2+]CC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001204869588 1370594025 /nfs/dbraw/zinc/59/40/25/1370594025.db2.gz FFCMVZAGWPSXDC-GOSISDBHSA-N 2 1 341.524 3.100 20 0 EGADMP C[N@@H+](Cc1cc2c(s1)C[NH2+]CC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001204869588 1370594031 /nfs/dbraw/zinc/59/40/31/1370594031.db2.gz FFCMVZAGWPSXDC-GOSISDBHSA-N 2 1 341.524 3.100 20 0 EGADMP CC[N@@H+](C[C@@H]1[C@H](C)CNCC1(F)F)[C@@H](C)Cc1ccc(OC)cc1 ZINC001204870664 1370594080 /nfs/dbraw/zinc/59/40/80/1370594080.db2.gz ZGEKHLPDGXSMFD-RVKKMQEKSA-N 2 1 340.458 3.439 20 0 EGADMP CC[N@H+](C[C@@H]1[C@H](C)C[NH2+]CC1(F)F)[C@@H](C)Cc1ccc(OC)cc1 ZINC001204870664 1370594084 /nfs/dbraw/zinc/59/40/84/1370594084.db2.gz ZGEKHLPDGXSMFD-RVKKMQEKSA-N 2 1 340.458 3.439 20 0 EGADMP CC[N@@H+](C[C@@H]1[C@H](C)C[NH2+]CC1(F)F)[C@@H](C)Cc1ccc(OC)cc1 ZINC001204870664 1370594085 /nfs/dbraw/zinc/59/40/85/1370594085.db2.gz ZGEKHLPDGXSMFD-RVKKMQEKSA-N 2 1 340.458 3.439 20 0 EGADMP C[C@@H]1CN(C[C@H]([NH3+])Cc2ccccc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001204897272 1370599853 /nfs/dbraw/zinc/59/98/53/1370599853.db2.gz VLUUXJJGWFHJOA-XQBPLPMBSA-N 2 1 337.511 3.151 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(OC)cc(OC)c3ccccc32)C1 ZINC001205015372 1370628936 /nfs/dbraw/zinc/62/89/36/1370628936.db2.gz CGMYKQZRSFKSKJ-HNNXBMFYSA-N 2 1 328.456 3.288 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(OC)cc(OC)c3ccccc32)C1 ZINC001205015372 1370628939 /nfs/dbraw/zinc/62/89/39/1370628939.db2.gz CGMYKQZRSFKSKJ-HNNXBMFYSA-N 2 1 328.456 3.288 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[C@H]([NH3+])CC3)cc2)cc1 ZINC001205124100 1370657526 /nfs/dbraw/zinc/65/75/26/1370657526.db2.gz KFFRKTJTPZXIHR-FQEVSTJZSA-N 2 1 338.451 3.453 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CCC3CC3)CCCCC2)C1 ZINC001115688045 1370670783 /nfs/dbraw/zinc/67/07/83/1370670783.db2.gz IOMDEDHMYNAOTQ-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205271943 1370702218 /nfs/dbraw/zinc/70/22/18/1370702218.db2.gz RNOCYOLIBYLBQC-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(-c2ccccc2)cn1 ZINC001205296315 1370711450 /nfs/dbraw/zinc/71/14/50/1370711450.db2.gz LVDMAWDEBBPUEF-HXUWFJFHSA-N 2 1 325.456 3.461 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CC3CC(C)(C)C3)CCCCC2)C1 ZINC001115729523 1370711481 /nfs/dbraw/zinc/71/14/81/1370711481.db2.gz JFWYWHQHFIDRTL-KRWDZBQOSA-N 2 1 349.563 3.173 20 0 EGADMP CC[C@H](F)C[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCCCC1 ZINC001115729991 1370712422 /nfs/dbraw/zinc/71/24/22/1370712422.db2.gz AMPCUTKUEHRSCQ-INIZCTEOSA-N 2 1 343.531 3.121 20 0 EGADMP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115730243 1370713171 /nfs/dbraw/zinc/71/31/71/1370713171.db2.gz GUWVEULWKRFWOH-LXORQPIJSA-N 2 1 349.563 3.339 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CCCC3CCCC3)CC2)CC[N@H+]1C ZINC001205334264 1370724269 /nfs/dbraw/zinc/72/42/69/1370724269.db2.gz IXZGMLKLOSNLML-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1Br ZINC001205559581 1370790930 /nfs/dbraw/zinc/79/09/30/1370790930.db2.gz SEZMEUZXMDGNPW-HNNXBMFYSA-N 2 1 329.257 3.410 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001205460912 1370762947 /nfs/dbraw/zinc/76/29/47/1370762947.db2.gz APZBPLIDRMZEIP-GOSISDBHSA-N 2 1 346.519 3.169 20 0 EGADMP CC(C)CCC[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001205483830 1370769422 /nfs/dbraw/zinc/76/94/22/1370769422.db2.gz TUUYQUDCDGCJAB-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001205517356 1370778673 /nfs/dbraw/zinc/77/86/73/1370778673.db2.gz NUOJLGAPIWQNEH-GOSISDBHSA-N 2 1 343.559 3.112 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC001205545489 1370786493 /nfs/dbraw/zinc/78/64/93/1370786493.db2.gz IAEQDVOBKBIDBL-VQTJNVASSA-N 2 1 333.495 3.194 20 0 EGADMP [NH3+]C[C@@]1(F)CCCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001205545489 1370786497 /nfs/dbraw/zinc/78/64/97/1370786497.db2.gz IAEQDVOBKBIDBL-VQTJNVASSA-N 2 1 333.495 3.194 20 0 EGADMP [NH3+]C[C@@]1(F)CCCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001205545489 1370786499 /nfs/dbraw/zinc/78/64/99/1370786499.db2.gz IAEQDVOBKBIDBL-VQTJNVASSA-N 2 1 333.495 3.194 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001205558141 1370790925 /nfs/dbraw/zinc/79/09/25/1370790925.db2.gz CCBTVSMGYCFRCA-OAHLLOKOSA-N 2 1 344.356 3.235 20 0 EGADMP CC(C)Oc1c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)ccc(F)c1F ZINC001205591141 1370802738 /nfs/dbraw/zinc/80/27/38/1370802738.db2.gz FIFKADXTURPCPU-QGZVFWFLSA-N 2 1 330.394 3.405 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001205593882 1370804001 /nfs/dbraw/zinc/80/40/01/1370804001.db2.gz HECILECJQIUFPZ-PRPIBZDOSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1C[NH3+] ZINC001205602632 1370807910 /nfs/dbraw/zinc/80/79/10/1370807910.db2.gz KSQSMCUKLNXVBE-GHTZIAJQSA-N 3 1 329.532 3.205 20 0 EGADMP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1OC ZINC001205618613 1370813261 /nfs/dbraw/zinc/81/32/61/1370813261.db2.gz XQROGNJFRAYPAT-STQMWFEESA-N 2 1 326.868 3.164 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cc(Cl)ncc2Br)CC[C@H]1C[NH3+] ZINC001205627199 1370816368 /nfs/dbraw/zinc/81/63/68/1370816368.db2.gz NTHZDXDWEMDQKS-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc(Cl)ncc2Br)CC[C@H]1C[NH3+] ZINC001205627199 1370816371 /nfs/dbraw/zinc/81/63/71/1370816371.db2.gz NTHZDXDWEMDQKS-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC3CCOCC3)cc2)CC[C@H]1C[NH3+] ZINC001205626347 1370816406 /nfs/dbraw/zinc/81/64/06/1370816406.db2.gz GCHFYGQFROKOPK-WMZOPIPTSA-N 2 1 332.488 3.051 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c(C(F)(F)F)nc3sccn23)CC[C@@H]1C[NH3+] ZINC001205625211 1370816754 /nfs/dbraw/zinc/81/67/54/1370816754.db2.gz ACCYLEQZFQFSTP-GHMZBOCLSA-N 2 1 346.422 3.221 20 0 EGADMP COc1cc(Cl)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(OC)c1 ZINC001205639473 1370822623 /nfs/dbraw/zinc/82/26/23/1370822623.db2.gz ZGQHMVBNGQXOQE-QWHCGFSZSA-N 2 1 326.868 3.164 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2Oc2cnccn2)CC[C@H]1C[NH3+] ZINC001205651109 1370827746 /nfs/dbraw/zinc/82/77/46/1370827746.db2.gz AFUKQMZFZGHXOW-CVEARBPZSA-N 2 1 326.444 3.076 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cncc(Br)c2Cl)CC[C@@H]1C[NH3+] ZINC001205663261 1370833673 /nfs/dbraw/zinc/83/36/73/1370833673.db2.gz GUZGRDBVBZRNLH-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cncc(Br)c2Cl)CC[C@@H]1C[NH3+] ZINC001205663261 1370833675 /nfs/dbraw/zinc/83/36/75/1370833675.db2.gz GUZGRDBVBZRNLH-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccnc(OCc3ccccc3)c2)CC[C@H]1C[NH3+] ZINC001205665659 1370835097 /nfs/dbraw/zinc/83/50/97/1370835097.db2.gz SZFIHANXMZRZCC-XLIONFOSSA-N 2 1 339.483 3.467 20 0 EGADMP C[NH+](C)Cc1cccc(-c2ccc(CC[NH+]3CCOCC3)cc2)c1F ZINC001205679317 1370840910 /nfs/dbraw/zinc/84/09/10/1370840910.db2.gz HWNQDDGITQBJRU-UHFFFAOYSA-N 2 1 342.458 3.429 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC(C[NH2+]CC2CCC2)CC1)C1CCCCC1 ZINC001205761161 1370862744 /nfs/dbraw/zinc/86/27/44/1370862744.db2.gz BOQFDHAHLGSNNM-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC001116289414 1370879694 /nfs/dbraw/zinc/87/96/94/1370879694.db2.gz VQXKOFKHIBCXAZ-HZPDHXFCSA-N 2 1 331.460 3.026 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2cc(Br)ccc2[nH]1 ZINC001205901784 1370905427 /nfs/dbraw/zinc/90/54/27/1370905427.db2.gz GGXQUMHPMGPKQY-NEPJUHHUSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@H]1C[N@@H+](Cc2sc(N3CCCC3)nc2Cl)CCC[C@@H]1C[NH3+] ZINC001206003095 1370934489 /nfs/dbraw/zinc/93/44/89/1370934489.db2.gz DQADOGAACWYNFB-QWHCGFSZSA-N 2 1 342.940 3.204 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2sc(N3CCCC3)nc2Cl)CCC[C@H]1C[NH3+] ZINC001206003094 1370934585 /nfs/dbraw/zinc/93/45/85/1370934585.db2.gz DQADOGAACWYNFB-OLZOCXBDSA-N 2 1 342.940 3.204 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CCC[C@@H]1C[NH3+] ZINC001206003907 1370935267 /nfs/dbraw/zinc/93/52/67/1370935267.db2.gz NKHQIKFQIDSDCG-NWDGAFQWSA-N 2 1 340.393 3.389 20 0 EGADMP COc1c(Br)cccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206005226 1370935550 /nfs/dbraw/zinc/93/55/50/1370935550.db2.gz XDPOBRAQYMITPB-CHWSQXEVSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(Br)c2)CCC[C@H]1C[NH3+] ZINC001206003681 1370935736 /nfs/dbraw/zinc/93/57/36/1370935736.db2.gz LATWMKIVZXSGFH-YPMHNXCESA-N 2 1 329.257 3.395 20 0 EGADMP COc1cc(Br)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206013253 1370938079 /nfs/dbraw/zinc/93/80/79/1370938079.db2.gz QVLGNWCPZXWELP-CHWSQXEVSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CCC[C@H]1C[NH3+] ZINC001206022179 1370941304 /nfs/dbraw/zinc/94/13/04/1370941304.db2.gz BLMFSDBKUZDVEL-STQMWFEESA-N 2 1 333.863 3.401 20 0 EGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)cc21 ZINC001206027944 1370942023 /nfs/dbraw/zinc/94/20/23/1370942023.db2.gz XJWFAFLYYVUJHY-LPHOPBHVSA-N 3 1 327.516 3.495 20 0 EGADMP C[C@@H]1C[N@H+](Cc2c(Cl)cncc2Br)CCC[C@H]1C[NH3+] ZINC001206036573 1370945096 /nfs/dbraw/zinc/94/50/96/1370945096.db2.gz LMHKIMCWRZUIJZ-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)cncc2Br)CCC[C@H]1C[NH3+] ZINC001206036573 1370945098 /nfs/dbraw/zinc/94/50/98/1370945098.db2.gz LMHKIMCWRZUIJZ-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@H]1F ZINC001206167059 1370978563 /nfs/dbraw/zinc/97/85/63/1370978563.db2.gz WSPOJRVNUNLNRN-MSOLQXFVSA-N 2 1 338.430 3.287 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@H]1F ZINC001206167059 1370978564 /nfs/dbraw/zinc/97/85/64/1370978564.db2.gz WSPOJRVNUNLNRN-MSOLQXFVSA-N 2 1 338.430 3.287 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](Cc2cc3ccc(Br)cc3[nH]2)CC[C@H]1F ZINC001206175669 1370980790 /nfs/dbraw/zinc/98/07/90/1370980790.db2.gz WZZZCQLUKDJGBR-ZIAGYGMSSA-N 2 1 340.240 3.192 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cc3ccc(Br)cc3[nH]2)CC[C@H]1F ZINC001206175669 1370980793 /nfs/dbraw/zinc/98/07/93/1370980793.db2.gz WZZZCQLUKDJGBR-ZIAGYGMSSA-N 2 1 340.240 3.192 20 0 EGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(O)c(OCc3ccccc3)c2)CC[C@@H]1F ZINC001206209038 1370993267 /nfs/dbraw/zinc/99/32/67/1370993267.db2.gz AGBASJIWODVRFH-ROUUACIJSA-N 2 1 344.430 3.232 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(O)c(OCc3ccccc3)c2)CC[C@@H]1F ZINC001206209038 1370993270 /nfs/dbraw/zinc/99/32/70/1370993270.db2.gz AGBASJIWODVRFH-ROUUACIJSA-N 2 1 344.430 3.232 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](C[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC001206297637 1371015331 /nfs/dbraw/zinc/01/53/31/1371015331.db2.gz ZBNCWKZFBNOAAZ-LEWJYISDSA-N 2 1 329.532 3.492 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)CC1 ZINC001206304553 1371015638 /nfs/dbraw/zinc/01/56/38/1371015638.db2.gz MLZCYAJKQCIIDF-IBGZPJMESA-N 2 1 326.444 3.220 20 0 EGADMP COc1cc(Cl)cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1OC ZINC001206305427 1371016696 /nfs/dbraw/zinc/01/66/96/1371016696.db2.gz ZETNLXFTJNHVMQ-KRWDZBQOSA-N 2 1 326.868 3.308 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1Br ZINC001206319148 1371019850 /nfs/dbraw/zinc/01/98/50/1371019850.db2.gz YINCFEROODFTSA-INIZCTEOSA-N 2 1 341.293 3.409 20 0 EGADMP CCSc1ncc2cccc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)n21 ZINC001206336731 1371026739 /nfs/dbraw/zinc/02/67/39/1371026739.db2.gz OCIGUOSXKAZDLI-SFHVURJKSA-N 2 1 332.517 3.397 20 0 EGADMP COc1c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc(C(C)(C)C)cc1C(C)(C)C ZINC001206475437 1371066671 /nfs/dbraw/zinc/06/66/71/1371066671.db2.gz PAWPHFDGQDAWDP-MAUKXSAKSA-N 2 1 348.531 3.042 20 0 EGADMP COc1c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc(C(C)(C)C)cc1C(C)(C)C ZINC001206475437 1371066676 /nfs/dbraw/zinc/06/66/76/1371066676.db2.gz PAWPHFDGQDAWDP-MAUKXSAKSA-N 2 1 348.531 3.042 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206547543 1371090207 /nfs/dbraw/zinc/09/02/07/1371090207.db2.gz HVTQNJOMSVNVPS-LOKQZNEXSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)(C)C(=O)Nc1ncccc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206550053 1371091348 /nfs/dbraw/zinc/09/13/48/1371091348.db2.gz UHGAOVRCINBIAX-IBGZPJMESA-N 2 1 332.492 3.017 20 0 EGADMP CC(C)(C)C(=O)Nc1ncccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206550053 1371091351 /nfs/dbraw/zinc/09/13/51/1371091351.db2.gz UHGAOVRCINBIAX-IBGZPJMESA-N 2 1 332.492 3.017 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc3ccc(Br)cc3[nH]2)C1 ZINC001206624604 1371111694 /nfs/dbraw/zinc/11/16/94/1371111694.db2.gz XBVMJBSBSCIBGX-GFCCVEGCSA-N 2 1 336.277 3.491 20 0 EGADMP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H](C[NH3+])C3)cs2)cc1 ZINC001206640858 1371116444 /nfs/dbraw/zinc/11/64/44/1371116444.db2.gz OFYLMYHNEOHPRV-AWEZNQCLSA-N 2 1 331.485 3.380 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)cs2)cc1 ZINC001206640858 1371116449 /nfs/dbraw/zinc/11/64/49/1371116449.db2.gz OFYLMYHNEOHPRV-AWEZNQCLSA-N 2 1 331.485 3.380 20 0 EGADMP COc1cccnc1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001206650313 1371119913 /nfs/dbraw/zinc/11/99/13/1371119913.db2.gz FZLBXLNXPATBIE-UHFFFAOYSA-N 2 1 339.483 3.434 20 0 EGADMP CC1(C)C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCC1(F)F ZINC001206682910 1371131791 /nfs/dbraw/zinc/13/17/91/1371131791.db2.gz BAFGKSDBLUMTMJ-UHFFFAOYSA-N 2 1 338.442 3.386 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCC1(F)F ZINC001206682910 1371131795 /nfs/dbraw/zinc/13/17/95/1371131795.db2.gz BAFGKSDBLUMTMJ-UHFFFAOYSA-N 2 1 338.442 3.386 20 0 EGADMP C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC001206721426 1371144158 /nfs/dbraw/zinc/14/41/58/1371144158.db2.gz AXHQMQAVISSYFS-SFHVURJKSA-N 2 1 336.479 3.466 20 0 EGADMP C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206721426 1371144164 /nfs/dbraw/zinc/14/41/64/1371144164.db2.gz AXHQMQAVISSYFS-SFHVURJKSA-N 2 1 336.479 3.466 20 0 EGADMP C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206721426 1371144167 /nfs/dbraw/zinc/14/41/67/1371144167.db2.gz AXHQMQAVISSYFS-SFHVURJKSA-N 2 1 336.479 3.466 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](OCC[NH+]4CCCCC4)[C@H]3C2)cc1 ZINC001206718062 1371144644 /nfs/dbraw/zinc/14/46/44/1371144644.db2.gz MXTROEQEBNGYPV-PCCBWWKXSA-N 2 1 328.500 3.400 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118263514 1371153784 /nfs/dbraw/zinc/15/37/84/1371153784.db2.gz IEOJGYGNPHLOFR-UHFFFAOYSA-N 2 1 329.488 3.214 20 0 EGADMP Clc1ccc(-n2ccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)n2)cc1 ZINC001118263671 1371154628 /nfs/dbraw/zinc/15/46/28/1371154628.db2.gz JPKSGGXWCLNYSX-UHFFFAOYSA-N 2 1 344.890 3.491 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC001118557061 1371198509 /nfs/dbraw/zinc/19/85/09/1371198509.db2.gz NADLVGLXHHSWJN-QGZVFWFLSA-N 2 1 345.462 3.097 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206947755 1371240141 /nfs/dbraw/zinc/24/01/41/1371240141.db2.gz INLMHTAEFAEGBL-FBLDJFESSA-N 2 1 335.536 3.044 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001206952214 1371242543 /nfs/dbraw/zinc/24/25/43/1371242543.db2.gz DJPFOBOHZWZGAR-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001206953650 1371243346 /nfs/dbraw/zinc/24/33/46/1371243346.db2.gz XQQXHVRYAINBPM-SFHVURJKSA-N 2 1 345.531 3.224 20 0 EGADMP c1[nH+]c(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n2ccccc12 ZINC001207054157 1371278994 /nfs/dbraw/zinc/27/89/94/1371278994.db2.gz HEQSBABYRNZTGZ-PMACEKPBSA-N 2 1 346.478 3.288 20 0 EGADMP c1[nH+]c(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n2ccccc12 ZINC001207054157 1371279000 /nfs/dbraw/zinc/27/90/00/1371279000.db2.gz HEQSBABYRNZTGZ-PMACEKPBSA-N 2 1 346.478 3.288 20 0 EGADMP CCn1ccnc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207147375 1371311045 /nfs/dbraw/zinc/31/10/45/1371311045.db2.gz GCMHZBMZHKGCKR-WOJBJXKFSA-N 2 1 338.499 3.247 20 0 EGADMP CCn1ccnc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207147375 1371311049 /nfs/dbraw/zinc/31/10/49/1371311049.db2.gz GCMHZBMZHKGCKR-WOJBJXKFSA-N 2 1 338.499 3.247 20 0 EGADMP CCn1ccnc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207147375 1371311052 /nfs/dbraw/zinc/31/10/52/1371311052.db2.gz GCMHZBMZHKGCKR-WOJBJXKFSA-N 2 1 338.499 3.247 20 0 EGADMP CCn1ccnc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207147375 1371311061 /nfs/dbraw/zinc/31/10/61/1371311061.db2.gz GCMHZBMZHKGCKR-WOJBJXKFSA-N 2 1 338.499 3.247 20 0 EGADMP CC(C)[N@@H+](CC(C)(C)C[NH+](C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207285179 1371349900 /nfs/dbraw/zinc/34/99/00/1371349900.db2.gz ZZCQCLBNOYKDOF-MRXNPFEDSA-N 2 1 341.540 3.294 20 0 EGADMP CCOC(=O)[C@@H]1CCCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207292143 1371352349 /nfs/dbraw/zinc/35/23/49/1371352349.db2.gz LCMDWUYALDEGSW-FQEVSTJZSA-N 2 1 344.499 3.316 20 0 EGADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC001119611904 1371375240 /nfs/dbraw/zinc/37/52/40/1371375240.db2.gz ZCPVWOMUWBWDOZ-CYBMUJFWSA-N 2 1 340.805 3.065 20 0 EGADMP CC[NH+]1CCC([N@H+](C)CCc2ccc(Br)cc2)CC1 ZINC001207382704 1371379562 /nfs/dbraw/zinc/37/95/62/1371379562.db2.gz QYIWYOCVDBJYRE-UHFFFAOYSA-N 2 1 325.294 3.408 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)CCc2ccc(Br)cc2)CC1 ZINC001207382704 1371379565 /nfs/dbraw/zinc/37/95/65/1371379565.db2.gz QYIWYOCVDBJYRE-UHFFFAOYSA-N 2 1 325.294 3.408 20 0 EGADMP C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001207399856 1371385427 /nfs/dbraw/zinc/38/54/27/1371385427.db2.gz WWRQDLJWRPJAKG-RXVVDRJESA-N 2 1 329.532 3.171 20 0 EGADMP COc1cccc(CC[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001207426643 1371391712 /nfs/dbraw/zinc/39/17/12/1371391712.db2.gz HXGGQZVWUMXMCW-ROUUACIJSA-N 2 1 342.508 3.363 20 0 EGADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C[C@@H]2CCCOC2)C3)cc1 ZINC001207469373 1371403563 /nfs/dbraw/zinc/40/35/63/1371403563.db2.gz KBQURZXRJJHUBE-LEWJYISDSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C[C@@H]2CCCOC2)C3)cc1 ZINC001207469373 1371403566 /nfs/dbraw/zinc/40/35/66/1371403566.db2.gz KBQURZXRJJHUBE-LEWJYISDSA-N 2 1 328.500 3.401 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207486053 1371410372 /nfs/dbraw/zinc/41/03/72/1371410372.db2.gz CNAARHISWPVGLR-QGZVFWFLSA-N 2 1 339.524 3.050 20 0 EGADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2CCC2CC[NH+](C)CC2)c1 ZINC001207488880 1371412122 /nfs/dbraw/zinc/41/21/22/1371412122.db2.gz RJUWZYSMUOGQJK-IBGZPJMESA-N 2 1 330.472 3.342 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](CCc3ccc(F)cc3)C2)C1 ZINC001207512090 1371419947 /nfs/dbraw/zinc/41/99/47/1371419947.db2.gz BMFFKTXJKWKGAX-HXUWFJFHSA-N 2 1 334.479 3.191 20 0 EGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](CCc3ccc(F)cc3)C2)C1 ZINC001207512090 1371419949 /nfs/dbraw/zinc/41/99/49/1371419949.db2.gz BMFFKTXJKWKGAX-HXUWFJFHSA-N 2 1 334.479 3.191 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](CCc3ccc(F)cc3)C2)C1 ZINC001207512090 1371419951 /nfs/dbraw/zinc/41/99/51/1371419951.db2.gz BMFFKTXJKWKGAX-HXUWFJFHSA-N 2 1 334.479 3.191 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](CCc3ccc(F)cc3)C2)C1 ZINC001207512090 1371419954 /nfs/dbraw/zinc/41/99/54/1371419954.db2.gz BMFFKTXJKWKGAX-HXUWFJFHSA-N 2 1 334.479 3.191 20 0 EGADMP C[NH+]1CCC(CN2CC[NH+](CCCc3ccc(Cl)cc3)CC2)CC1 ZINC001207597851 1371447708 /nfs/dbraw/zinc/44/77/08/1371447708.db2.gz SSAQHHIXXMPUAM-UHFFFAOYSA-N 2 1 349.950 3.232 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC3CC(C)(C)C3)CCCCC2)C1 ZINC001120010096 1371453313 /nfs/dbraw/zinc/45/33/13/1371453313.db2.gz LXRNUGQGVMLHPR-KRWDZBQOSA-N 2 1 349.563 3.173 20 0 EGADMP CC/C=C\CC[NH2+]C1(CNC(=O)CC[N@H+](C)CCC)CCCCC1 ZINC001120041451 1371466422 /nfs/dbraw/zinc/46/64/22/1371466422.db2.gz QBIZICPKEGYUMB-SREVYHEPSA-N 2 1 337.552 3.483 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3conc3Cc3ccccc3)C[C@@H]2C1 ZINC001120072286 1371478550 /nfs/dbraw/zinc/47/85/50/1371478550.db2.gz SOJLICJXMPDEBI-WSTZPKSXSA-N 2 1 339.483 3.428 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001120207783 1371504601 /nfs/dbraw/zinc/50/46/01/1371504601.db2.gz FUPXEYOXRZWQQY-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001207790057 1371505550 /nfs/dbraw/zinc/50/55/50/1371505550.db2.gz KNDIEKUTETYLFW-VQIMIIECSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCC2)C[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001207790057 1371505552 /nfs/dbraw/zinc/50/55/52/1371505552.db2.gz KNDIEKUTETYLFW-VQIMIIECSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCC2)C[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001207790057 1371505554 /nfs/dbraw/zinc/50/55/54/1371505554.db2.gz KNDIEKUTETYLFW-VQIMIIECSA-N 2 1 349.563 3.266 20 0 EGADMP Cc1ccc(CCC[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)o1 ZINC001207948714 1371548127 /nfs/dbraw/zinc/54/81/27/1371548127.db2.gz YWODPZCHBKGEQX-TZIWHRDSSA-N 2 1 346.515 3.343 20 0 EGADMP Cc1ccc(CCC[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)o1 ZINC001207948714 1371548128 /nfs/dbraw/zinc/54/81/28/1371548128.db2.gz YWODPZCHBKGEQX-TZIWHRDSSA-N 2 1 346.515 3.343 20 0 EGADMP Cc1ccc(CCC[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)o1 ZINC001207948714 1371548131 /nfs/dbraw/zinc/54/81/31/1371548131.db2.gz YWODPZCHBKGEQX-TZIWHRDSSA-N 2 1 346.515 3.343 20 0 EGADMP Cc1ccc(CCC[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)o1 ZINC001207948714 1371548134 /nfs/dbraw/zinc/54/81/34/1371548134.db2.gz YWODPZCHBKGEQX-TZIWHRDSSA-N 2 1 346.515 3.343 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCC[NH+]2CC(C)C)C1 ZINC001120401496 1371561946 /nfs/dbraw/zinc/56/19/46/1371561946.db2.gz KEFMUECEGVJNOY-QZTJIDSGSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001120401496 1371561949 /nfs/dbraw/zinc/56/19/49/1371561949.db2.gz KEFMUECEGVJNOY-QZTJIDSGSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001120401496 1371561950 /nfs/dbraw/zinc/56/19/50/1371561950.db2.gz KEFMUECEGVJNOY-QZTJIDSGSA-N 2 1 337.552 3.076 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCC[NH+]2CCC2CC2)C1 ZINC001120403202 1371563094 /nfs/dbraw/zinc/56/30/94/1371563094.db2.gz WISDPPQDFGZIIX-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CCC2CC2)C1 ZINC001120403202 1371563097 /nfs/dbraw/zinc/56/30/97/1371563097.db2.gz WISDPPQDFGZIIX-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CCC2CC2)C1 ZINC001120403202 1371563099 /nfs/dbraw/zinc/56/30/99/1371563099.db2.gz WISDPPQDFGZIIX-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@H]([NH2+]CCC(C)C)C1 ZINC001208073953 1371588512 /nfs/dbraw/zinc/58/85/12/1371588512.db2.gz QOYHPYXJOULWSU-IRXDYDNUSA-N 2 1 334.508 3.023 20 0 EGADMP CC/C=C\CCC[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001208133751 1371605640 /nfs/dbraw/zinc/60/56/40/1371605640.db2.gz UDRWEPHJQBVXEI-JLZAYFGNSA-N 2 1 343.515 3.351 20 0 EGADMP CC/C=C\CCC[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001208133751 1371605648 /nfs/dbraw/zinc/60/56/48/1371605648.db2.gz UDRWEPHJQBVXEI-JLZAYFGNSA-N 2 1 343.515 3.351 20 0 EGADMP CC/C=C\CCC[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001208133751 1371605661 /nfs/dbraw/zinc/60/56/61/1371605661.db2.gz UDRWEPHJQBVXEI-JLZAYFGNSA-N 2 1 343.515 3.351 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3CC2(C[NH+](C)C)CCCC2)o1 ZINC001208184909 1371624672 /nfs/dbraw/zinc/62/46/72/1371624672.db2.gz IAJPRLTUKWEFTM-VQTJNVASSA-N 2 1 345.531 3.359 20 0 EGADMP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3CC2(C[NH+](C)C)CCCC2)o1 ZINC001208184909 1371624673 /nfs/dbraw/zinc/62/46/73/1371624673.db2.gz IAJPRLTUKWEFTM-VQTJNVASSA-N 2 1 345.531 3.359 20 0 EGADMP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3CC2(C[NH+](C)C)CCCC2)o1 ZINC001208184909 1371624677 /nfs/dbraw/zinc/62/46/77/1371624677.db2.gz IAJPRLTUKWEFTM-VQTJNVASSA-N 2 1 345.531 3.359 20 0 EGADMP CCOc1cccc(N2CC[NH+](CC3(C[NH+](C)C)CCCC3)CC2)c1 ZINC001208188326 1371631457 /nfs/dbraw/zinc/63/14/57/1371631457.db2.gz XOWPUMLSZJRFEA-UHFFFAOYSA-N 2 1 345.531 3.329 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001208447073 1371769029 /nfs/dbraw/zinc/76/90/29/1371769029.db2.gz HCQCPHWXACLTBH-QAPCUYQASA-N 2 1 349.494 3.198 20 0 EGADMP Cc1ccc2cc[nH+]c(N3CCC([NH2+]C4CCOCC4)CC3)c2c1 ZINC001120950908 1371820468 /nfs/dbraw/zinc/82/04/68/1371820468.db2.gz VWTUALHBIFIFLD-UHFFFAOYSA-N 2 1 325.456 3.281 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C)C[C@H]1C)[NH+](CC)CC ZINC001208575799 1371824409 /nfs/dbraw/zinc/82/44/09/1371824409.db2.gz VMCWZNFUKIRAKC-RLLQIKCJSA-N 2 1 345.531 3.052 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN2CC([NH+]3CCCCC3)C2)cc1 ZINC001208591373 1371831250 /nfs/dbraw/zinc/83/12/50/1371831250.db2.gz JNZNMAUBOLQCQA-FQEVSTJZSA-N 2 1 327.516 3.211 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC001208598743 1371834450 /nfs/dbraw/zinc/83/44/50/1371834450.db2.gz WZGKPGVKOCQJDK-WBVHZDCISA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001208596527 1371834537 /nfs/dbraw/zinc/83/45/37/1371834537.db2.gz ROYDMTHOQGSANP-CTNGQTDRSA-N 2 1 343.515 3.294 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](Cc2ccc(F)cc2)C2CCN(C)CC2)CC1 ZINC001208602299 1371835657 /nfs/dbraw/zinc/83/56/57/1371835657.db2.gz AHKCFLVIFKZNOQ-UHFFFAOYSA-N 3 1 347.522 3.454 20 0 EGADMP CC[NH+]1CCC(C[N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001208602299 1371835659 /nfs/dbraw/zinc/83/56/59/1371835659.db2.gz AHKCFLVIFKZNOQ-UHFFFAOYSA-N 3 1 347.522 3.454 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001208602299 1371835662 /nfs/dbraw/zinc/83/56/62/1371835662.db2.gz AHKCFLVIFKZNOQ-UHFFFAOYSA-N 3 1 347.522 3.454 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC001208602739 1371836347 /nfs/dbraw/zinc/83/63/47/1371836347.db2.gz MCKTVGJKODHEJO-DOTOQJQBSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@H+]1CCC[C@H](CN2CCC3(CC[NH+](Cc4cccs4)C3)CC2)C1 ZINC001208607003 1371838098 /nfs/dbraw/zinc/83/80/98/1371838098.db2.gz HTPJVWKDDJDUOM-SFHVURJKSA-N 2 1 347.572 3.378 20 0 EGADMP C[NH+]1CCC[C@H](CN2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)C1 ZINC001208607003 1371838105 /nfs/dbraw/zinc/83/81/05/1371838105.db2.gz HTPJVWKDDJDUOM-SFHVURJKSA-N 2 1 347.572 3.378 20 0 EGADMP C[NH+]1CCC[C@H](CN2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)C1 ZINC001208607003 1371838107 /nfs/dbraw/zinc/83/81/07/1371838107.db2.gz HTPJVWKDDJDUOM-SFHVURJKSA-N 2 1 347.572 3.378 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(CC[NH+](Cc4cccs4)C3)CC2)C1 ZINC001208607003 1371838114 /nfs/dbraw/zinc/83/81/14/1371838114.db2.gz HTPJVWKDDJDUOM-SFHVURJKSA-N 3 1 347.572 3.378 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(CC[NH+](Cc4cccs4)C3)CC2)C1 ZINC001208607003 1371838118 /nfs/dbraw/zinc/83/81/18/1371838118.db2.gz HTPJVWKDDJDUOM-SFHVURJKSA-N 3 1 347.572 3.378 20 0 EGADMP C[NH+]1CCC[C@H](C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)C1 ZINC001208607003 1371838120 /nfs/dbraw/zinc/83/81/20/1371838120.db2.gz HTPJVWKDDJDUOM-SFHVURJKSA-N 3 1 347.572 3.378 20 0 EGADMP C[NH+]1CCC[C@H](C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)C1 ZINC001208607003 1371838123 /nfs/dbraw/zinc/83/81/23/1371838123.db2.gz HTPJVWKDDJDUOM-SFHVURJKSA-N 3 1 347.572 3.378 20 0 EGADMP CN1CCC[C@H](C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)C1 ZINC001208607003 1371838129 /nfs/dbraw/zinc/83/81/29/1371838129.db2.gz HTPJVWKDDJDUOM-SFHVURJKSA-N 2 1 347.572 3.378 20 0 EGADMP CN1CCC[C@H](C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)C1 ZINC001208607003 1371838133 /nfs/dbraw/zinc/83/81/33/1371838133.db2.gz HTPJVWKDDJDUOM-SFHVURJKSA-N 2 1 347.572 3.378 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(C[C@@H]1CCC[NH+](C)C1)CC2 ZINC001208611732 1371840459 /nfs/dbraw/zinc/84/04/59/1371840459.db2.gz XGAVHKCMRZQKIY-UYAOXDASSA-N 2 1 345.531 3.298 20 0 EGADMP C[NH+](Cc1ccco1)[C@@H]1CCC12CCN(C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001208611732 1371840464 /nfs/dbraw/zinc/84/04/64/1371840464.db2.gz XGAVHKCMRZQKIY-UYAOXDASSA-N 2 1 345.531 3.298 20 0 EGADMP C[NH+](Cc1ccco1)[C@@H]1CCC12CCN(C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001208611732 1371840467 /nfs/dbraw/zinc/84/04/67/1371840467.db2.gz XGAVHKCMRZQKIY-UYAOXDASSA-N 2 1 345.531 3.298 20 0 EGADMP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@@H]1CCC[NH+](C)C1)CC2 ZINC001208611732 1371840471 /nfs/dbraw/zinc/84/04/71/1371840471.db2.gz XGAVHKCMRZQKIY-UYAOXDASSA-N 3 1 345.531 3.298 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@@H]1CCC[NH+](C)C1)CC2 ZINC001208611732 1371840476 /nfs/dbraw/zinc/84/04/76/1371840476.db2.gz XGAVHKCMRZQKIY-UYAOXDASSA-N 3 1 345.531 3.298 20 0 EGADMP C[NH+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001208611732 1371840480 /nfs/dbraw/zinc/84/04/80/1371840480.db2.gz XGAVHKCMRZQKIY-UYAOXDASSA-N 3 1 345.531 3.298 20 0 EGADMP C[NH+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001208611732 1371840485 /nfs/dbraw/zinc/84/04/85/1371840485.db2.gz XGAVHKCMRZQKIY-UYAOXDASSA-N 3 1 345.531 3.298 20 0 EGADMP CN1CCC[C@@H](C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)C1 ZINC001208611732 1371840486 /nfs/dbraw/zinc/84/04/86/1371840486.db2.gz XGAVHKCMRZQKIY-UYAOXDASSA-N 2 1 345.531 3.298 20 0 EGADMP CN1CCC[C@@H](C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)C1 ZINC001208611732 1371840492 /nfs/dbraw/zinc/84/04/92/1371840492.db2.gz XGAVHKCMRZQKIY-UYAOXDASSA-N 2 1 345.531 3.298 20 0 EGADMP C(C[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1C[C@H]1COC2(CCCCC2)O1 ZINC001208638748 1371849576 /nfs/dbraw/zinc/84/95/76/1371849576.db2.gz HEALQLLUCLISTC-OALUTQOASA-N 2 1 336.520 3.403 20 0 EGADMP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121103097 1371855135 /nfs/dbraw/zinc/85/51/35/1371855135.db2.gz RPBZMMCZHNRGRI-QKESWPNNSA-N 2 1 347.547 3.233 20 0 EGADMP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](CCC2CCCC2)CC3)n1 ZINC001208694321 1371864475 /nfs/dbraw/zinc/86/44/75/1371864475.db2.gz WODAOUNYGFOKSJ-UHFFFAOYSA-N 2 1 330.520 3.431 20 0 EGADMP Cn1ccc(C[N@H+]2CCCC23CC[NH+](CCC2CCCC2)CC3)n1 ZINC001208694321 1371864482 /nfs/dbraw/zinc/86/44/82/1371864482.db2.gz WODAOUNYGFOKSJ-UHFFFAOYSA-N 2 1 330.520 3.431 20 0 EGADMP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001121194209 1371885486 /nfs/dbraw/zinc/88/54/86/1371885486.db2.gz OSIACALRUQZOQH-QKESWPNNSA-N 2 1 347.547 3.234 20 0 EGADMP CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001121233634 1371902771 /nfs/dbraw/zinc/90/27/71/1371902771.db2.gz PTTBTJGEAMRZLG-JDKNDNFBSA-N 2 1 347.547 3.211 20 0 EGADMP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001121260864 1371912677 /nfs/dbraw/zinc/91/26/77/1371912677.db2.gz KNHHRXQQUYTAMD-QMUDSGFASA-N 2 1 347.547 3.234 20 0 EGADMP c1cncc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCC=CO2)CC3)c1 ZINC001208883116 1371931138 /nfs/dbraw/zinc/93/11/38/1371931138.db2.gz DXIBKVYPIGRDNT-IBGZPJMESA-N 2 1 327.472 3.062 20 0 EGADMP OC[C@]1(F)CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208931518 1371950908 /nfs/dbraw/zinc/95/09/08/1371950908.db2.gz KYYDFEKLRCKZDM-PMACEKPBSA-N 2 1 334.479 3.085 20 0 EGADMP OC[C@]1(F)CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208931518 1371950911 /nfs/dbraw/zinc/95/09/11/1371950911.db2.gz KYYDFEKLRCKZDM-PMACEKPBSA-N 2 1 334.479 3.085 20 0 EGADMP OC[C@]1(F)CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208931518 1371950912 /nfs/dbraw/zinc/95/09/12/1371950912.db2.gz KYYDFEKLRCKZDM-PMACEKPBSA-N 2 1 334.479 3.085 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](CN3CCC([NH+]4CCCC4)CC3)C2)cc1 ZINC001208946770 1371958456 /nfs/dbraw/zinc/95/84/56/1371958456.db2.gz ILSJSXHXHUQPBW-FQEVSTJZSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@H](COCC4CC4)C3)C2)cc1 ZINC001208951296 1371959923 /nfs/dbraw/zinc/95/99/23/1371959923.db2.gz BKYPOFAZJGACNS-SFTDATJTSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CC[C@H](COCC4CC4)C3)C2)cc1 ZINC001208951296 1371959930 /nfs/dbraw/zinc/95/99/30/1371959930.db2.gz BKYPOFAZJGACNS-SFTDATJTSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@H](COCC4CC4)C3)C2)cc1 ZINC001208951296 1371959933 /nfs/dbraw/zinc/95/99/33/1371959933.db2.gz BKYPOFAZJGACNS-SFTDATJTSA-N 2 1 328.500 3.257 20 0 EGADMP C[N@H+](C[C@H]1Cc2ccccc2O1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208961565 1371962880 /nfs/dbraw/zinc/96/28/80/1371962880.db2.gz GPDVPNWELFKIGZ-PZJWPPBQSA-N 2 1 336.479 3.444 20 0 EGADMP C[NH+](C[C@H]1Cc2ccccc2O1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208961565 1371962884 /nfs/dbraw/zinc/96/28/84/1371962884.db2.gz GPDVPNWELFKIGZ-PZJWPPBQSA-N 2 1 336.479 3.444 20 0 EGADMP C[NH+](C[C@H]1Cc2ccccc2O1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208961565 1371962899 /nfs/dbraw/zinc/96/28/99/1371962899.db2.gz GPDVPNWELFKIGZ-PZJWPPBQSA-N 2 1 336.479 3.444 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC4(CCCOC4)CC3)C2)cc1 ZINC001208959572 1371963016 /nfs/dbraw/zinc/96/30/16/1371963016.db2.gz SNFZIESAOTWKRE-HXUWFJFHSA-N 2 1 328.500 3.401 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209007360 1371973060 /nfs/dbraw/zinc/97/30/60/1371973060.db2.gz RZORWNNJMWCTEI-BTFXCVNISA-N 2 1 346.519 3.189 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209007360 1371973064 /nfs/dbraw/zinc/97/30/64/1371973064.db2.gz RZORWNNJMWCTEI-BTFXCVNISA-N 2 1 346.519 3.189 20 0 EGADMP COCCC[NH+]1CCC2(CC[N@@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001209052873 1371984432 /nfs/dbraw/zinc/98/44/32/1371984432.db2.gz ZCDPQKWAMGJUBE-UHFFFAOYSA-N 2 1 332.488 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]CCCC(C)C)C2)C1 ZINC001209204756 1372037901 /nfs/dbraw/zinc/03/79/01/1372037901.db2.gz LISRHEZJWFQVJS-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CC1CC(C[NH2+]C2CC3(CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C3)C2)C1 ZINC001121791178 1372082491 /nfs/dbraw/zinc/08/24/91/1372082491.db2.gz JRYVMJQRUNXVMG-UHFFFAOYSA-N 2 1 349.563 3.027 20 0 EGADMP COC1CCC(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CC1 ZINC001209394269 1372090018 /nfs/dbraw/zinc/09/00/18/1372090018.db2.gz YIMXBKPILTVTNY-ZTOOSOLZSA-N 2 1 334.529 3.317 20 0 EGADMP COC1CCC(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CC1 ZINC001209394269 1372090021 /nfs/dbraw/zinc/09/00/21/1372090021.db2.gz YIMXBKPILTVTNY-ZTOOSOLZSA-N 2 1 334.529 3.317 20 0 EGADMP COC1CCC(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)CC1 ZINC001209394269 1372090024 /nfs/dbraw/zinc/09/00/24/1372090024.db2.gz YIMXBKPILTVTNY-ZTOOSOLZSA-N 2 1 334.529 3.317 20 0 EGADMP COC1CCC(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)CC1 ZINC001209394269 1372090028 /nfs/dbraw/zinc/09/00/28/1372090028.db2.gz YIMXBKPILTVTNY-ZTOOSOLZSA-N 2 1 334.529 3.317 20 0 EGADMP CC(C)(C)OC(=O)N[C@H]1CCCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209448434 1372108026 /nfs/dbraw/zinc/10/80/26/1372108026.db2.gz RTWOIOLRGCLXDN-KRWDZBQOSA-N 2 1 339.524 3.242 20 0 EGADMP CC(C)(C)OC(=O)N[C@H]1CCCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209448434 1372108031 /nfs/dbraw/zinc/10/80/31/1372108031.db2.gz RTWOIOLRGCLXDN-KRWDZBQOSA-N 2 1 339.524 3.242 20 0 EGADMP CCOC(=O)CC[N@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC001209449108 1372109226 /nfs/dbraw/zinc/10/92/26/1372109226.db2.gz BHOATYQLMRWFML-UHFFFAOYSA-N 2 1 332.488 3.318 20 0 EGADMP CCOC(=O)CC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC001209449108 1372109230 /nfs/dbraw/zinc/10/92/30/1372109230.db2.gz BHOATYQLMRWFML-UHFFFAOYSA-N 2 1 332.488 3.318 20 0 EGADMP Cc1n[nH]cc1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001209553721 1372135814 /nfs/dbraw/zinc/13/58/14/1372135814.db2.gz MBOBZDFYZFNRQK-UHFFFAOYSA-N 2 1 330.501 3.268 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209642736 1372159956 /nfs/dbraw/zinc/15/99/56/1372159956.db2.gz OZNVPYXDBZLVNT-LZQZEXGQSA-N 2 1 349.494 3.055 20 0 EGADMP Clc1c[nH]c2cccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)c12 ZINC001209659735 1372163709 /nfs/dbraw/zinc/16/37/09/1372163709.db2.gz TYGLZCYIBUUMNC-UHFFFAOYSA-N 2 1 346.906 3.035 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001209688530 1372170783 /nfs/dbraw/zinc/17/07/83/1372170783.db2.gz CYBSGKBUGBJULD-MJGOQNOKSA-N 2 1 345.531 3.306 20 0 EGADMP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001122242950 1372210432 /nfs/dbraw/zinc/21/04/32/1372210432.db2.gz RLQGDZFVXDGZEN-FCOWATRHSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001209932208 1372234655 /nfs/dbraw/zinc/23/46/55/1372234655.db2.gz PODMDFDOLWADIR-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP [NH3+]CCN1CC[NH+](Cc2ccccc2-c2ccccc2Cl)CC1 ZINC001209976477 1372246256 /nfs/dbraw/zinc/24/62/56/1372246256.db2.gz POMKSQCKBVMODS-UHFFFAOYSA-N 2 1 329.875 3.083 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001210132448 1372277442 /nfs/dbraw/zinc/27/74/42/1372277442.db2.gz BQIWMLDXUKSCEG-UEKDZROGSA-N 2 1 346.519 3.299 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1C ZINC001210486286 1372364552 /nfs/dbraw/zinc/36/45/52/1372364552.db2.gz SVAZAYJWQHATFS-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1C ZINC001210486286 1372364556 /nfs/dbraw/zinc/36/45/56/1372364556.db2.gz SVAZAYJWQHATFS-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1C ZINC001210486286 1372364559 /nfs/dbraw/zinc/36/45/59/1372364559.db2.gz SVAZAYJWQHATFS-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@H]([NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1)c1ccc(F)cc1 ZINC001210494815 1372365791 /nfs/dbraw/zinc/36/57/91/1372365791.db2.gz XRBLCMMCOVKFLF-OALUTQOASA-N 2 1 349.494 3.199 20 0 EGADMP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CC[NH2+][C@H](C)CC3)c2)cc1 ZINC001210518718 1372370970 /nfs/dbraw/zinc/37/09/70/1372370970.db2.gz IXNUIUZGRSUSPH-MRXNPFEDSA-N 2 1 338.451 3.324 20 0 EGADMP COC(=O)c1ccc(-c2cccc(C[N@H+]3CC[NH2+][C@H](C)CC3)c2)cc1 ZINC001210518718 1372370973 /nfs/dbraw/zinc/37/09/73/1372370973.db2.gz IXNUIUZGRSUSPH-MRXNPFEDSA-N 2 1 338.451 3.324 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001210772893 1372424351 /nfs/dbraw/zinc/42/43/51/1372424351.db2.gz DGUULDUDLLBWIL-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC001210811134 1372430387 /nfs/dbraw/zinc/43/03/87/1372430387.db2.gz JRNSBOXBGGWQBV-RTBURBONSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001210810596 1372430597 /nfs/dbraw/zinc/43/05/97/1372430597.db2.gz AIPHXQJIZONQJQ-SUJSUNJESA-N 2 1 343.515 3.012 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001326466879 1388201559 /nfs/dbraw/zinc/20/15/59/1388201559.db2.gz DREUBHLESDLKHF-OXJNMPFZSA-N 2 1 345.531 3.484 20 0 EGADMP Cc1cc(NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)ccc1C[NH+](C)C ZINC001123807343 1372594853 /nfs/dbraw/zinc/59/48/53/1372594853.db2.gz WXJTUFNYIUCGGD-BJZITVGISA-N 2 1 329.488 3.116 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cccc3ccncc32)no1 ZINC001212145034 1372663789 /nfs/dbraw/zinc/66/37/89/1372663789.db2.gz KKSNLSRVHLPCOA-KRWDZBQOSA-N 2 1 339.443 3.453 20 0 EGADMP CCc1ccc(C)[nH+]c1Nc1ccc(N2CC[NH2+]CC2)cc1OC ZINC001213884747 1372974211 /nfs/dbraw/zinc/97/42/11/1372974211.db2.gz XUYIZGVBRTUCEL-UHFFFAOYSA-N 2 1 326.444 3.114 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC001127344134 1373117681 /nfs/dbraw/zinc/11/76/81/1373117681.db2.gz GKRCCOBUDGDRET-HKUYNNGSSA-N 2 1 343.515 3.108 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001214855490 1373130379 /nfs/dbraw/zinc/13/03/79/1373130379.db2.gz DDFDCORNRLYQJL-KZNAEPCWSA-N 2 1 337.552 3.122 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001127678938 1373158893 /nfs/dbraw/zinc/15/88/93/1373158893.db2.gz GKPKVUHRPYXIKF-IAGOWNOFSA-N 2 1 342.487 3.172 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001127678869 1373159076 /nfs/dbraw/zinc/15/90/76/1373159076.db2.gz FIGCVKRWLVXERW-GJZGRUSLSA-N 2 1 346.450 3.003 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001128779734 1373310825 /nfs/dbraw/zinc/31/08/25/1373310825.db2.gz XAJSIDWKNGBREM-YLJYHZDGSA-N 2 1 345.531 3.451 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)c1cccc2ccccc21 ZINC001129534888 1373394777 /nfs/dbraw/zinc/39/47/77/1373394777.db2.gz BXRYVTWUTIBPQJ-MRXNPFEDSA-N 2 1 339.483 3.091 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001129839487 1373427705 /nfs/dbraw/zinc/42/77/05/1373427705.db2.gz ALNBLAGQPFNEOG-YLJYHZDGSA-N 2 1 345.531 3.451 20 0 EGADMP C[C@@H]1CC[NH2+][C@@H](c2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)C1 ZINC001217703644 1373490602 /nfs/dbraw/zinc/49/06/02/1373490602.db2.gz WLYDDDILXGKJDJ-DJIMGWMZSA-N 2 1 326.444 3.120 20 0 EGADMP C[C@@H]1CC[NH2+][C@@H](c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)C1 ZINC001217703644 1373490607 /nfs/dbraw/zinc/49/06/07/1373490607.db2.gz WLYDDDILXGKJDJ-DJIMGWMZSA-N 2 1 326.444 3.120 20 0 EGADMP C[C@@H]1CCC[NH2+][C@H]1c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217702614 1373491085 /nfs/dbraw/zinc/49/10/85/1373491085.db2.gz MBHVPVWBDKJXGS-DJIMGWMZSA-N 2 1 326.444 3.120 20 0 EGADMP C[C@@H]1CCC[NH2+][C@H]1c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217702614 1373491087 /nfs/dbraw/zinc/49/10/87/1373491087.db2.gz MBHVPVWBDKJXGS-DJIMGWMZSA-N 2 1 326.444 3.120 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@H]1OC[C@@]1(C)C[N@@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217789600 1373500397 /nfs/dbraw/zinc/50/03/97/1373500397.db2.gz PWVHSGAMGDHDTF-YFVAEKQCSA-N 2 1 346.515 3.071 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3OC[C@H]2CCC[NH2+]C2)cc1 ZINC001217808199 1373503095 /nfs/dbraw/zinc/50/30/95/1373503095.db2.gz BEWJFXWHVCCJLH-CBQMWWCCSA-N 2 1 328.500 3.303 20 0 EGADMP Cc1cc(C)cc(C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)c1 ZINC001130615974 1373571114 /nfs/dbraw/zinc/57/11/14/1373571114.db2.gz WVYGYICFWNWYNM-UHFFFAOYSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001218481726 1373622333 /nfs/dbraw/zinc/62/23/33/1373622333.db2.gz VEMYSSDEAMDZQJ-UZLBHIALSA-N 2 1 337.467 3.017 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001218481726 1373622337 /nfs/dbraw/zinc/62/23/37/1373622337.db2.gz VEMYSSDEAMDZQJ-UZLBHIALSA-N 2 1 337.467 3.017 20 0 EGADMP O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)C1CC2(C[NH2+]C2)C1 ZINC001218847277 1373660812 /nfs/dbraw/zinc/66/08/12/1373660812.db2.gz GHQXQIHIZDRLQB-UHFFFAOYSA-N 2 1 347.462 3.141 20 0 EGADMP O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)C1CC2(C[NH2+]C2)C1 ZINC001218847277 1373660814 /nfs/dbraw/zinc/66/08/14/1373660814.db2.gz GHQXQIHIZDRLQB-UHFFFAOYSA-N 2 1 347.462 3.141 20 0 EGADMP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC001219349730 1373702640 /nfs/dbraw/zinc/70/26/40/1373702640.db2.gz WRGDHTXGZMCPLS-LJQANCHMSA-N 2 1 337.467 3.304 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222092527 1373816764 /nfs/dbraw/zinc/81/67/64/1373816764.db2.gz RITDQZJZMIOOLU-DPZZJQGRSA-N 2 1 343.515 3.055 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222092527 1373816770 /nfs/dbraw/zinc/81/67/70/1373816770.db2.gz RITDQZJZMIOOLU-DPZZJQGRSA-N 2 1 343.515 3.055 20 0 EGADMP CC1(C)[NH2+][C@@H](CC[NH+]2CCC3(CNc4ccc(Cl)cc43)CC2)CO1 ZINC001222172795 1373818681 /nfs/dbraw/zinc/81/86/81/1373818681.db2.gz OBSUQPMBVAKSSE-HNNXBMFYSA-N 2 1 349.906 3.214 20 0 EGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001326796353 1388313121 /nfs/dbraw/zinc/31/31/21/1388313121.db2.gz UOLWLLKDRWEYLB-LUKYLMHMSA-N 2 1 339.524 3.285 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC001223962896 1375049585 /nfs/dbraw/zinc/04/95/85/1375049585.db2.gz YSPMURINFDYTJR-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CCC(C)(C)C)[C@H]2C1 ZINC001223962896 1375049588 /nfs/dbraw/zinc/04/95/88/1375049588.db2.gz YSPMURINFDYTJR-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CCC(C)(C)C)[C@H]2C1 ZINC001223962896 1375049593 /nfs/dbraw/zinc/04/95/93/1375049593.db2.gz YSPMURINFDYTJR-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(CC)CC)[C@H]2C1 ZINC001223972206 1375050193 /nfs/dbraw/zinc/05/01/93/1375050193.db2.gz VJWHKYPCYSBPQN-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(CC)CC)[C@H]2C1 ZINC001223972206 1375050199 /nfs/dbraw/zinc/05/01/99/1375050199.db2.gz VJWHKYPCYSBPQN-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(CC)CC)[C@H]2C1 ZINC001223972206 1375050201 /nfs/dbraw/zinc/05/02/01/1375050201.db2.gz VJWHKYPCYSBPQN-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC[NH+](C[C@H](C)CC)CC1 ZINC001224884132 1375082553 /nfs/dbraw/zinc/08/25/53/1375082553.db2.gz OTMULLWJBBYPDD-GOSISDBHSA-N 2 1 339.568 3.373 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCCC(C)(C)C ZINC001132105543 1375150237 /nfs/dbraw/zinc/15/02/37/1375150237.db2.gz ITJHPUASLBXCGQ-DLBZAZTESA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCCC(C)(C)C ZINC001132105543 1375150242 /nfs/dbraw/zinc/15/02/42/1375150242.db2.gz ITJHPUASLBXCGQ-DLBZAZTESA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCCC(C)(C)C ZINC001132105543 1375150248 /nfs/dbraw/zinc/15/02/48/1375150248.db2.gz ITJHPUASLBXCGQ-DLBZAZTESA-N 2 1 337.552 3.266 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132149133 1375170798 /nfs/dbraw/zinc/17/07/98/1375170798.db2.gz GHYZQLGXRZNMAH-OBNUAKFSSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132207222 1375208758 /nfs/dbraw/zinc/20/87/58/1375208758.db2.gz RJWJWKCCNLVBBS-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132207222 1375208763 /nfs/dbraw/zinc/20/87/63/1375208763.db2.gz RJWJWKCCNLVBBS-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132207222 1375208768 /nfs/dbraw/zinc/20/87/68/1375208768.db2.gz RJWJWKCCNLVBBS-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001226162132 1375213617 /nfs/dbraw/zinc/21/36/17/1375213617.db2.gz XABYXMLANWRFSF-GJGSYKPXSA-N 2 1 335.536 3.233 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CCCC(C)(C)C ZINC001132269283 1375257260 /nfs/dbraw/zinc/25/72/60/1375257260.db2.gz IFFREDJZGLAXEK-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)c1ccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)cc1 ZINC001132274476 1375260348 /nfs/dbraw/zinc/26/03/48/1375260348.db2.gz UVPVJIYMZLFWCU-XLIONFOSSA-N 2 1 345.531 3.231 20 0 EGADMP CC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309661 1375286702 /nfs/dbraw/zinc/28/67/02/1375286702.db2.gz AWHVMHKEQBWGHU-ICUWKNINSA-N 2 1 337.552 3.290 20 0 EGADMP CC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309661 1375286706 /nfs/dbraw/zinc/28/67/06/1375286706.db2.gz AWHVMHKEQBWGHU-ICUWKNINSA-N 2 1 337.552 3.290 20 0 EGADMP CC(C)C[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335833 1375315894 /nfs/dbraw/zinc/31/58/94/1375315894.db2.gz UYIFUYIICPTTOO-IAGOWNOFSA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)C[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335833 1375315901 /nfs/dbraw/zinc/31/59/01/1375315901.db2.gz UYIFUYIICPTTOO-IAGOWNOFSA-N 2 1 334.508 3.022 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CCCC2)C1 ZINC001132364220 1375329009 /nfs/dbraw/zinc/32/90/09/1375329009.db2.gz BCLHVIGQJFCABD-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCCC2)C1 ZINC001132364220 1375329022 /nfs/dbraw/zinc/32/90/22/1375329022.db2.gz BCLHVIGQJFCABD-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001226889996 1375353075 /nfs/dbraw/zinc/35/30/75/1375353075.db2.gz FARVVHAXZIUKGD-IOEMXKATSA-N 2 1 335.536 3.234 20 0 EGADMP CCc1cccc(C[NH+]2C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]2C)c1 ZINC001132409815 1375358602 /nfs/dbraw/zinc/35/86/02/1375358602.db2.gz FMGJMTUMWPKBOC-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@@H]2C)c1 ZINC001132409815 1375358604 /nfs/dbraw/zinc/35/86/04/1375358604.db2.gz FMGJMTUMWPKBOC-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@@H]2C)c1 ZINC001132409815 1375358609 /nfs/dbraw/zinc/35/86/09/1375358609.db2.gz FMGJMTUMWPKBOC-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001132426242 1375373068 /nfs/dbraw/zinc/37/30/68/1375373068.db2.gz UNIAMAYAMWKJIT-TZNMXKOXSA-N 2 1 344.503 3.087 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001132426242 1375373077 /nfs/dbraw/zinc/37/30/77/1375373077.db2.gz UNIAMAYAMWKJIT-TZNMXKOXSA-N 2 1 344.503 3.087 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CC1CC2(CCC2)C1 ZINC001132434514 1375377873 /nfs/dbraw/zinc/37/78/73/1375377873.db2.gz XYKVODRVQXKWOQ-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC(CC)CC)C1 ZINC001132436343 1375380965 /nfs/dbraw/zinc/38/09/65/1375380965.db2.gz KRCBLIKEGNWEOE-FUHWJXTLSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(CC)CC)C1 ZINC001132436343 1375380968 /nfs/dbraw/zinc/38/09/68/1375380968.db2.gz KRCBLIKEGNWEOE-FUHWJXTLSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(CC)CC)C1 ZINC001132436343 1375380970 /nfs/dbraw/zinc/38/09/70/1375380970.db2.gz KRCBLIKEGNWEOE-FUHWJXTLSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC2=CCCCC2)C1 ZINC001132437451 1375382293 /nfs/dbraw/zinc/38/22/93/1375382293.db2.gz UVVGGXBXNOYJOA-HKUYNNGSSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2=CCCCC2)C1 ZINC001132437451 1375382294 /nfs/dbraw/zinc/38/22/94/1375382294.db2.gz UVVGGXBXNOYJOA-HKUYNNGSSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2=CCCCC2)C1 ZINC001132437451 1375382296 /nfs/dbraw/zinc/38/22/96/1375382296.db2.gz UVVGGXBXNOYJOA-HKUYNNGSSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132440737 1375384738 /nfs/dbraw/zinc/38/47/38/1375384738.db2.gz FHMNFTMRWQXGTF-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001132440737 1375384742 /nfs/dbraw/zinc/38/47/42/1375384742.db2.gz FHMNFTMRWQXGTF-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001132440737 1375384746 /nfs/dbraw/zinc/38/47/46/1375384746.db2.gz FHMNFTMRWQXGTF-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[N@H+]1CC1CCC1 ZINC001132549327 1375455306 /nfs/dbraw/zinc/45/53/06/1375455306.db2.gz QQFAFSKXAJYGDJ-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001227867218 1375484381 /nfs/dbraw/zinc/48/43/81/1375484381.db2.gz CCYVIYLXGJQARK-YLJYHZDGSA-N 2 1 343.515 3.203 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC001228039422 1375509131 /nfs/dbraw/zinc/50/91/31/1375509131.db2.gz GRNBGLLMUOCBEV-QGZVFWFLSA-N 2 1 345.531 3.367 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC001132739562 1375539444 /nfs/dbraw/zinc/53/94/44/1375539444.db2.gz RVVXSKNLOCZZAG-IEBWSBKVSA-N 2 1 349.494 3.105 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC001132739563 1375539747 /nfs/dbraw/zinc/53/97/47/1375539747.db2.gz RVVXSKNLOCZZAG-MJGOQNOKSA-N 2 1 349.494 3.105 20 0 EGADMP O=C(NCC[NH2+]CC1CCCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132794872 1375568542 /nfs/dbraw/zinc/56/85/42/1375568542.db2.gz IXAGSRRKZGVBNJ-LJQANCHMSA-N 2 1 335.536 3.070 20 0 EGADMP C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C[NH2+]CCCC1CCC1 ZINC001132889155 1375628439 /nfs/dbraw/zinc/62/84/39/1375628439.db2.gz XKOMLSDRKQTSQX-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](C)CC[C@H](Oc1ccc(C(=[NH2+])NO)c(F)c1)c1ccccc1 ZINC001229082976 1375760035 /nfs/dbraw/zinc/76/00/35/1375760035.db2.gz LTZYWKHAEYFTMD-KRWDZBQOSA-N 2 1 331.391 3.202 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133122723 1375787376 /nfs/dbraw/zinc/78/73/76/1375787376.db2.gz UQQGMDDYYAEYLO-ZWKOTPCHSA-N 2 1 339.568 3.229 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC(C)C)C1 ZINC001133166402 1375820012 /nfs/dbraw/zinc/82/00/12/1375820012.db2.gz TZKFDCVKJYSSHK-HKUYNNGSSA-N 2 1 348.535 3.092 20 0 EGADMP CCC(=O)C1(c2cccc(O[C@@H]3CCC[N@@H+](C)C3)c2)CC[NH+](C)CC1 ZINC001229733658 1375883101 /nfs/dbraw/zinc/88/31/01/1375883101.db2.gz NHIYBIDAQDBJOJ-LJQANCHMSA-N 2 1 344.499 3.102 20 0 EGADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ccc(F)cc2C[NH+](C)C)C1 ZINC001229858890 1375905371 /nfs/dbraw/zinc/90/53/71/1375905371.db2.gz UATQNIIDGJFTBO-CRAIPNDOSA-N 2 1 343.446 3.497 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133313299 1375916107 /nfs/dbraw/zinc/91/61/07/1375916107.db2.gz CQAPUTIPFHWPGM-WMZOPIPTSA-N 2 1 348.535 3.092 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC001230147906 1375951891 /nfs/dbraw/zinc/95/18/91/1375951891.db2.gz WKMQVFJHLBJKCM-RTBURBONSA-N 2 1 346.519 3.179 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl)c1ccccc1 ZINC001230286104 1375984461 /nfs/dbraw/zinc/98/44/61/1375984461.db2.gz AQHDCVDXNRVNPT-BILUERTLSA-N 2 1 349.906 3.059 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]21 ZINC001188985475 1388427835 /nfs/dbraw/zinc/42/78/35/1388427835.db2.gz GQSVRGUIPWAORA-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)c1cccc2ccccc21 ZINC001133834478 1376223854 /nfs/dbraw/zinc/22/38/54/1376223854.db2.gz YZIZELWXHDRYOP-DLBZAZTESA-N 2 1 339.483 3.091 20 0 EGADMP CCc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)s1 ZINC001231499267 1376252215 /nfs/dbraw/zinc/25/22/15/1376252215.db2.gz KSLCBTVKQNIOSB-UHFFFAOYSA-N 2 1 344.528 3.161 20 0 EGADMP COc1cccc2c1C[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)CC2 ZINC001232144900 1376408939 /nfs/dbraw/zinc/40/89/39/1376408939.db2.gz NPUXLITVYIGEME-UHFFFAOYSA-N 2 1 328.431 3.454 20 0 EGADMP COc1cccc2c1C[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)CC2 ZINC001232144900 1376408941 /nfs/dbraw/zinc/40/89/41/1376408941.db2.gz NPUXLITVYIGEME-UHFFFAOYSA-N 2 1 328.431 3.454 20 0 EGADMP CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)[C@@H]1C ZINC001232146350 1376409058 /nfs/dbraw/zinc/40/90/58/1376409058.db2.gz NTKBYVDHAPIQQK-KDOFPFPSSA-N 2 1 336.451 3.051 20 0 EGADMP COCc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001232299385 1376434258 /nfs/dbraw/zinc/43/42/58/1376434258.db2.gz BTBURHMGUNOVJA-KDURUIRLSA-N 2 1 342.508 3.458 20 0 EGADMP COCc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001232299385 1376434261 /nfs/dbraw/zinc/43/42/61/1376434261.db2.gz BTBURHMGUNOVJA-KDURUIRLSA-N 2 1 342.508 3.458 20 0 EGADMP COCc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001232299385 1376434265 /nfs/dbraw/zinc/43/42/65/1376434265.db2.gz BTBURHMGUNOVJA-KDURUIRLSA-N 2 1 342.508 3.458 20 0 EGADMP COCc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001232299385 1376434268 /nfs/dbraw/zinc/43/42/68/1376434268.db2.gz BTBURHMGUNOVJA-KDURUIRLSA-N 2 1 342.508 3.458 20 0 EGADMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)Cc1cccc(Cl)c1 ZINC001232366762 1376451064 /nfs/dbraw/zinc/45/10/64/1376451064.db2.gz ZWNQBXMETSFCQR-UHFFFAOYSA-N 2 1 344.890 3.119 20 0 EGADMP Cc1cc(Br)c(C[NH+]2CCC3(C[NH+](C)C3)CC2)cc1F ZINC001232467707 1376464017 /nfs/dbraw/zinc/46/40/17/1376464017.db2.gz ITQFJSARJZMNGO-UHFFFAOYSA-N 2 1 341.268 3.424 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(CF)cc1 ZINC001134608635 1376622922 /nfs/dbraw/zinc/62/29/22/1376622922.db2.gz YEHCMWRZHXEJPP-CVEARBPZSA-N 2 1 349.494 3.013 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612015 1376624036 /nfs/dbraw/zinc/62/40/36/1376624036.db2.gz GKXXAHZVRGLURV-HOTGVXAUSA-N 2 1 325.541 3.170 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC001134725594 1376678692 /nfs/dbraw/zinc/67/86/92/1376678692.db2.gz GWWLTQCEIGEVBO-QZTJIDSGSA-N 2 1 348.535 3.319 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1csc(C)c1 ZINC001134773149 1376714180 /nfs/dbraw/zinc/71/41/80/1376714180.db2.gz MFGWNEXADFEUOV-KBPBESRZSA-N 2 1 339.549 3.160 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc2c1NC(C)(C)C=C2 ZINC001235035558 1376832539 /nfs/dbraw/zinc/83/25/39/1376832539.db2.gz FMBQOGKQHVYJCS-HXUWFJFHSA-N 2 1 327.472 3.098 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc2c1NC(C)(C)C=C2 ZINC001235035558 1376832548 /nfs/dbraw/zinc/83/25/48/1376832548.db2.gz FMBQOGKQHVYJCS-HXUWFJFHSA-N 2 1 327.472 3.098 20 0 EGADMP FC(F)(F)c1cc(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)ccc1Cl ZINC001235038121 1376837611 /nfs/dbraw/zinc/83/76/11/1376837611.db2.gz UCSKIUHDADHWOZ-IUODEOHRSA-N 2 1 348.796 3.169 20 0 EGADMP FC(F)(F)c1cc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)ccc1Cl ZINC001235038121 1376837616 /nfs/dbraw/zinc/83/76/16/1376837616.db2.gz UCSKIUHDADHWOZ-IUODEOHRSA-N 2 1 348.796 3.169 20 0 EGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235036842 1376837723 /nfs/dbraw/zinc/83/77/23/1376837723.db2.gz NZDGJRFLFIQBPZ-FBBABVLZSA-N 2 1 344.543 3.473 20 0 EGADMP Fc1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1-c1ccccc1 ZINC001235041913 1376838284 /nfs/dbraw/zinc/83/82/84/1376838284.db2.gz UWFPPIIBKKIEPS-WIYYLYMNSA-N 2 1 340.442 3.303 20 0 EGADMP c1ccc2c(c1)sc1c2cccc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235054634 1376843419 /nfs/dbraw/zinc/84/34/19/1376843419.db2.gz QJHDJDOOBQWIRU-FQEVSTJZSA-N 2 1 337.492 3.192 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020071 1376849689 /nfs/dbraw/zinc/84/96/89/1376849689.db2.gz DPHCWOZHHYYMCN-CVEARBPZSA-N 2 1 348.535 3.071 20 0 EGADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189938 1376856306 /nfs/dbraw/zinc/85/63/06/1376856306.db2.gz QKBTWJPUCGCLRA-UHFFFAOYSA-N 3 1 348.560 3.027 20 0 EGADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189938 1376856315 /nfs/dbraw/zinc/85/63/15/1376856315.db2.gz QKBTWJPUCGCLRA-UHFFFAOYSA-N 3 1 348.560 3.027 20 0 EGADMP c1ccc(N2CCCC2)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235429174 1376869791 /nfs/dbraw/zinc/86/97/91/1376869791.db2.gz PVCRXVWNOVUHFO-RBUKOAKNSA-N 2 1 327.516 3.498 20 0 EGADMP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)OCCCO2 ZINC001235429188 1376870496 /nfs/dbraw/zinc/87/04/96/1376870496.db2.gz QCIOZZRSQMMYDK-MSOLQXFVSA-N 2 1 330.472 3.060 20 0 EGADMP COc1cc(F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC001235429859 1376871830 /nfs/dbraw/zinc/87/18/30/1376871830.db2.gz RTSIIIWAVCSHGE-LSDHHAIUSA-N 2 1 336.451 3.055 20 0 EGADMP CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135076935 1376881530 /nfs/dbraw/zinc/88/15/30/1376881530.db2.gz JGCRCPJMLXDDNS-IRXDYDNUSA-N 2 1 325.541 3.314 20 0 EGADMP COc1cccc([C@@H]2CCCC[N@H+]2Cc2ccc3n2CC[NH2+]C3)c1 ZINC001235727517 1376886426 /nfs/dbraw/zinc/88/64/26/1376886426.db2.gz SQXGPVGTOGZERT-FQEVSTJZSA-N 2 1 325.456 3.327 20 0 EGADMP c1ccc(C[C@H]2C[NH2+]CCN2C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001235846953 1376900683 /nfs/dbraw/zinc/90/06/83/1376900683.db2.gz AMPKTWGEQWPTEO-GOTSBHOMSA-N 2 1 349.522 3.025 20 0 EGADMP CC(C)Oc1ncc(Cl)cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235888202 1376910524 /nfs/dbraw/zinc/91/05/24/1376910524.db2.gz LKTWNRHCGJKLMR-QGZVFWFLSA-N 2 1 337.895 3.486 20 0 EGADMP [NH3+]C1CN([C@H]2CCC[N@@H+](Cc3ccc(-c4cccs4)s3)C2)C1 ZINC001236074285 1376931042 /nfs/dbraw/zinc/93/10/42/1376931042.db2.gz WTTNNMLTVYLQEG-AWEZNQCLSA-N 2 1 333.526 3.084 20 0 EGADMP COc1cc(C[N@@H+](C)C2(C)CC[NH2+]CC2)cc2c1NC(C)(C)C=C2 ZINC001236228544 1376942856 /nfs/dbraw/zinc/94/28/56/1376942856.db2.gz VYKFEWMENPBKQJ-UHFFFAOYSA-N 2 1 329.488 3.486 20 0 EGADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246747803 1377054358 /nfs/dbraw/zinc/05/43/58/1377054358.db2.gz RXOKLLKPXRKSQY-LLLHUVSDSA-N 2 1 347.528 3.094 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)CCC[NH+](C)[C@@H]1CCCc2ccccc21 ZINC001327277354 1388478420 /nfs/dbraw/zinc/47/84/20/1388478420.db2.gz PFWAVIXDOGIESG-HXUWFJFHSA-N 2 1 345.531 3.186 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)CCC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC001327277354 1388478424 /nfs/dbraw/zinc/47/84/24/1388478424.db2.gz PFWAVIXDOGIESG-HXUWFJFHSA-N 2 1 345.531 3.186 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)CCC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC001327277354 1388478428 /nfs/dbraw/zinc/47/84/28/1388478428.db2.gz PFWAVIXDOGIESG-HXUWFJFHSA-N 2 1 345.531 3.186 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1ccccc1C ZINC001135437793 1377097988 /nfs/dbraw/zinc/09/79/88/1377097988.db2.gz XOHWHXYFIYMZSM-SFHVURJKSA-N 2 1 333.520 3.274 20 0 EGADMP Cc1cc(F)cc(CN2CCC([NH2+][C@H]3CCC[N@H+](C)CC3)CC2)c1 ZINC001254510505 1377104991 /nfs/dbraw/zinc/10/49/91/1377104991.db2.gz XENFLZFPAMMEME-IBGZPJMESA-N 2 1 333.495 3.172 20 0 EGADMP C[N@H+]1CCC[C@@H](N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CC1 ZINC001254508482 1377105569 /nfs/dbraw/zinc/10/55/69/1377105569.db2.gz JMDRPRULDILQFV-PQZCDXGSSA-N 2 1 347.506 3.047 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135480356 1377112363 /nfs/dbraw/zinc/11/23/63/1377112363.db2.gz BDNDHJRVKVJSBX-IRXDYDNUSA-N 2 1 339.568 3.418 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135481761 1377113810 /nfs/dbraw/zinc/11/38/10/1377113810.db2.gz WXMPTOXPNHJHCL-HOTGVXAUSA-N 2 1 339.568 3.273 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccsc1 ZINC001135482054 1377114364 /nfs/dbraw/zinc/11/43/64/1377114364.db2.gz ZZAOROZXSGNNBP-CABCVRRESA-N 2 1 339.549 3.099 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC3(CC1)OCC(C)(C)CO3)C2 ZINC001258519472 1377116872 /nfs/dbraw/zinc/11/68/72/1377116872.db2.gz HMTGUEIIAKVWBQ-BCDXTJNWSA-N 2 1 336.520 3.303 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC3(CC1)OCC(C)(C)CO3)C2 ZINC001258519472 1377116875 /nfs/dbraw/zinc/11/68/75/1377116875.db2.gz HMTGUEIIAKVWBQ-BCDXTJNWSA-N 2 1 336.520 3.303 20 0 EGADMP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135601193 1377159267 /nfs/dbraw/zinc/15/92/67/1377159267.db2.gz SBDSOAUCKUVTIZ-IAGOWNOFSA-N 2 1 334.508 3.236 20 0 EGADMP CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678067 1377181209 /nfs/dbraw/zinc/18/12/09/1377181209.db2.gz BCLFWKACGPTTHH-TZNMXKOXSA-N 2 1 334.508 3.201 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccsc1 ZINC001135678081 1377181368 /nfs/dbraw/zinc/18/13/68/1377181368.db2.gz BFCGBZGQGGYHAX-GJZGRUSLSA-N 2 1 348.516 3.106 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1C ZINC001135861050 1377237938 /nfs/dbraw/zinc/23/79/38/1377237938.db2.gz LTEGFGJGSXAVQS-MOPGFXCFSA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1ccc(C)cc1 ZINC001135860704 1377238101 /nfs/dbraw/zinc/23/81/01/1377238101.db2.gz GMGCYXXBUNOCHS-RBUKOAKNSA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001135860899 1377238333 /nfs/dbraw/zinc/23/83/33/1377238333.db2.gz IWRSGCOORCUZAV-OALUTQOASA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001266245789 1377243714 /nfs/dbraw/zinc/24/37/14/1377243714.db2.gz GRKWGFJUPHSCFS-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266322502 1377272984 /nfs/dbraw/zinc/27/29/84/1377272984.db2.gz IOEQDGZWABOADM-PBHICJAKSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266322502 1377272986 /nfs/dbraw/zinc/27/29/86/1377272986.db2.gz IOEQDGZWABOADM-PBHICJAKSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266322502 1377272992 /nfs/dbraw/zinc/27/29/92/1377272992.db2.gz IOEQDGZWABOADM-PBHICJAKSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266322502 1377272994 /nfs/dbraw/zinc/27/29/94/1377272994.db2.gz IOEQDGZWABOADM-PBHICJAKSA-N 2 1 349.906 3.076 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCCCC1 ZINC001135995624 1377292082 /nfs/dbraw/zinc/29/20/82/1377292082.db2.gz IRSZKGKHTRKKOG-IRXDYDNUSA-N 2 1 325.541 3.172 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001266479704 1377317557 /nfs/dbraw/zinc/31/75/57/1377317557.db2.gz BFAFNIKNXHDQRF-RBUKOAKNSA-N 2 1 343.515 3.060 20 0 EGADMP Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)[NH+]2CCCC2)cc1 ZINC001136479586 1377397168 /nfs/dbraw/zinc/39/71/68/1377397168.db2.gz OHOJENNPJZMTLS-RTBURBONSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC1CCCCCC1 ZINC001266972018 1377405942 /nfs/dbraw/zinc/40/59/42/1377405942.db2.gz SOJYBWAOGFQZLE-INIZCTEOSA-N 2 1 325.541 3.029 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cn3c(cccc3C)n2)CC1 ZINC001137297227 1377511969 /nfs/dbraw/zinc/51/19/69/1377511969.db2.gz AGIXTVGZVMNGPL-UHFFFAOYSA-N 2 1 335.455 3.085 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001269234612 1377544610 /nfs/dbraw/zinc/54/46/10/1377544610.db2.gz BKCPRTNAHQTCPI-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP COC1CC[NH+](C2CC[NH+](Cc3cccc4ncccc34)CC2)CC1 ZINC001137631907 1377577003 /nfs/dbraw/zinc/57/70/03/1377577003.db2.gz HLXCVWGDAKHLQZ-UHFFFAOYSA-N 2 1 339.483 3.310 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(O)ccc3Br)C2)CC1 ZINC001138147413 1377685337 /nfs/dbraw/zinc/68/53/37/1377685337.db2.gz RIIBLAIGTNGACI-UHFFFAOYSA-N 2 1 339.277 3.072 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(N(C)C)s2)CC1 ZINC001138491683 1377732259 /nfs/dbraw/zinc/73/22/59/1377732259.db2.gz SQKLSMNISLQMLK-UHFFFAOYSA-N 2 1 330.501 3.257 20 0 EGADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(C)s1 ZINC001138566418 1377744167 /nfs/dbraw/zinc/74/41/67/1377744167.db2.gz MJYQJWHDKKBNEW-IEBWSBKVSA-N 2 1 344.528 3.052 20 0 EGADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(C)s1 ZINC001138566418 1377744170 /nfs/dbraw/zinc/74/41/70/1377744170.db2.gz MJYQJWHDKKBNEW-IEBWSBKVSA-N 2 1 344.528 3.052 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c(C)s1 ZINC001138566418 1377744174 /nfs/dbraw/zinc/74/41/74/1377744174.db2.gz MJYQJWHDKKBNEW-IEBWSBKVSA-N 2 1 344.528 3.052 20 0 EGADMP Cc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c(C)s1 ZINC001138566418 1377744177 /nfs/dbraw/zinc/74/41/77/1377744177.db2.gz MJYQJWHDKKBNEW-IEBWSBKVSA-N 2 1 344.528 3.052 20 0 EGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cccc(Br)c1OC(F)F ZINC001327416357 1388514749 /nfs/dbraw/zinc/51/47/49/1388514749.db2.gz RFOFKEZLMRHDLX-VIFPVBQESA-N 2 1 337.208 3.138 20 0 EGADMP CNc1ncccc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001138695265 1377769427 /nfs/dbraw/zinc/76/94/27/1377769427.db2.gz ZXBQMMCLSCTGRR-ICSRJNTNSA-N 2 1 336.483 3.077 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c2c(OC)cccc12 ZINC001138752453 1377780619 /nfs/dbraw/zinc/78/06/19/1377780619.db2.gz GTJBCQANDGJINQ-NRFANRHFSA-N 2 1 340.467 3.385 20 0 EGADMP COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c2c(OC)cccc12 ZINC001138752453 1377780620 /nfs/dbraw/zinc/78/06/20/1377780620.db2.gz GTJBCQANDGJINQ-NRFANRHFSA-N 2 1 340.467 3.385 20 0 EGADMP COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c2c(OC)cccc12 ZINC001138752453 1377780621 /nfs/dbraw/zinc/78/06/21/1377780621.db2.gz GTJBCQANDGJINQ-NRFANRHFSA-N 2 1 340.467 3.385 20 0 EGADMP Brc1ccc2[nH]c(C[N@@H+]3CCc4nccn4CC3)cc2c1 ZINC001139184887 1377845788 /nfs/dbraw/zinc/84/57/88/1377845788.db2.gz JBKSZOMJNZHKDC-UHFFFAOYSA-N 2 1 345.244 3.185 20 0 EGADMP Brc1ccc2[nH]c(CN3CCc4nccn4CC3)cc2c1 ZINC001139184887 1377845789 /nfs/dbraw/zinc/84/57/89/1377845789.db2.gz JBKSZOMJNZHKDC-UHFFFAOYSA-N 2 1 345.244 3.185 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc5nonc5c4)C[C@@H]3C2)cc1 ZINC001139223353 1377855835 /nfs/dbraw/zinc/85/58/35/1377855835.db2.gz KTZIGFGJJMTSLX-RBUKOAKNSA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc5nonc5c4)C[C@@H]3C2)cc1 ZINC001139223353 1377855839 /nfs/dbraw/zinc/85/58/39/1377855839.db2.gz KTZIGFGJJMTSLX-RBUKOAKNSA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc5nonc5c4)C[C@@H]3C2)cc1 ZINC001139223353 1377855843 /nfs/dbraw/zinc/85/58/43/1377855843.db2.gz KTZIGFGJJMTSLX-RBUKOAKNSA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc5nonc5c4)C[C@@H]3C2)cc1 ZINC001139223353 1377855848 /nfs/dbraw/zinc/85/58/48/1377855848.db2.gz KTZIGFGJJMTSLX-RBUKOAKNSA-N 2 1 348.450 3.177 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC001139677313 1377932242 /nfs/dbraw/zinc/93/22/42/1377932242.db2.gz FLPAIYPRVZRVDL-UHFFFAOYSA-N 2 1 349.482 3.394 20 0 EGADMP C[N@H+](Cc1cn2ccncc2n1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001139698740 1377936875 /nfs/dbraw/zinc/93/68/75/1377936875.db2.gz GJZYUHUGDAXFMZ-UHFFFAOYSA-N 2 1 349.482 3.073 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+](Cc2cc3ccccc3n2C)CC1 ZINC001139871616 1377968027 /nfs/dbraw/zinc/96/80/27/1377968027.db2.gz IGDVHJWZNMFIKU-UHFFFAOYSA-N 2 1 342.531 3.028 20 0 EGADMP Cn1ncc2cc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)ccc21 ZINC001139951608 1377981539 /nfs/dbraw/zinc/98/15/39/1377981539.db2.gz JMBZMZJKLZXTGY-IBGZPJMESA-N 2 1 326.488 3.414 20 0 EGADMP C[NH+]1CCC(C2CC[NH+](Cc3cc(Cl)ncc3F)CC2)CC1 ZINC001140610050 1378096595 /nfs/dbraw/zinc/09/65/95/1378096595.db2.gz DKTCBGUAZQKOFA-UHFFFAOYSA-N 2 1 325.859 3.428 20 0 EGADMP CCCC[C@@H](CC)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC3)C[C@H]2CC1 ZINC001273362474 1378098997 /nfs/dbraw/zinc/09/89/97/1378098997.db2.gz BUMIAXMCNURVMM-AQNXPRMDSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC3)C[C@H]2CC1 ZINC001273362474 1378098999 /nfs/dbraw/zinc/09/89/99/1378098999.db2.gz BUMIAXMCNURVMM-AQNXPRMDSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1cc(N2CC[NH+](Cc3ccc(OC(F)F)c(O)c3)CC2)cc[nH+]1 ZINC001140630722 1378101750 /nfs/dbraw/zinc/10/17/50/1378101750.db2.gz LWIRWOLKSNTUDN-UHFFFAOYSA-N 2 1 349.381 3.019 20 0 EGADMP CC[C@@H](C(=O)NCc1ccc2c(c1)C[N@H+](CC1CC(C)C1)C2)[NH+](C)C ZINC001274035235 1378114502 /nfs/dbraw/zinc/11/45/02/1378114502.db2.gz HEJPZTIYKMZADP-LAGYLCCXSA-N 2 1 343.515 3.005 20 0 EGADMP COc1ccc(CC[N@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc1OC ZINC001140802506 1378142223 /nfs/dbraw/zinc/14/22/23/1378142223.db2.gz XIDAZGIVWLWZCH-UHFFFAOYSA-N 2 1 325.412 3.255 20 0 EGADMP COc1ccc(CC[N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)cc1OC ZINC001140802506 1378142227 /nfs/dbraw/zinc/14/22/27/1378142227.db2.gz XIDAZGIVWLWZCH-UHFFFAOYSA-N 2 1 325.412 3.255 20 0 EGADMP CCCCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)cc1 ZINC001276336649 1378172078 /nfs/dbraw/zinc/17/20/78/1378172078.db2.gz OXMHTVJEZSOCPM-OYRHEFFESA-N 2 1 329.532 3.239 20 0 EGADMP CCCCc1ccc(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)cc1 ZINC001276336214 1378172213 /nfs/dbraw/zinc/17/22/13/1378172213.db2.gz GNNGBTJRYMIJES-UHFFFAOYSA-N 2 1 343.559 3.489 20 0 EGADMP CS[C@@H](C)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001276470763 1378174467 /nfs/dbraw/zinc/17/44/67/1378174467.db2.gz RZOPLRIDSFTIFX-YESZJQIVSA-N 2 1 349.544 3.073 20 0 EGADMP CS[C@@H](C)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001276470763 1378174472 /nfs/dbraw/zinc/17/44/72/1378174472.db2.gz RZOPLRIDSFTIFX-YESZJQIVSA-N 2 1 349.544 3.073 20 0 EGADMP CS[C@@H](C)CC[NH+]1C[C@@H]2CC[N@H+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001276470763 1378174477 /nfs/dbraw/zinc/17/44/77/1378174477.db2.gz RZOPLRIDSFTIFX-YESZJQIVSA-N 2 1 349.544 3.073 20 0 EGADMP C[N@H+]1CC[C@]2(C1)CCCN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C2 ZINC001276492587 1378175664 /nfs/dbraw/zinc/17/56/64/1378175664.db2.gz WMJSZYFZZPCFPW-YADHBBJMSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCCN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C2 ZINC001276492587 1378175667 /nfs/dbraw/zinc/17/56/67/1378175667.db2.gz WMJSZYFZZPCFPW-YADHBBJMSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCCN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C2 ZINC001276492587 1378175669 /nfs/dbraw/zinc/17/56/69/1378175669.db2.gz WMJSZYFZZPCFPW-YADHBBJMSA-N 2 1 341.543 3.459 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H]3[C@@H]2CCN3CCCC(F)(F)F)CC1 ZINC001276492695 1378175934 /nfs/dbraw/zinc/17/59/34/1378175934.db2.gz YKSOQFVYAUZDPK-IRXDYDNUSA-N 2 1 347.469 3.209 20 0 EGADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnco3)C[C@@H]21 ZINC001140928587 1378183655 /nfs/dbraw/zinc/18/36/55/1378183655.db2.gz UGQLOUIZEHSALQ-FHLIZLRMSA-N 2 1 331.485 3.469 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnco3)C[C@@H]21 ZINC001140928587 1378183661 /nfs/dbraw/zinc/18/36/61/1378183661.db2.gz UGQLOUIZEHSALQ-FHLIZLRMSA-N 2 1 331.485 3.469 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cnco3)C[C@@H]21 ZINC001140928587 1378183669 /nfs/dbraw/zinc/18/36/69/1378183669.db2.gz UGQLOUIZEHSALQ-FHLIZLRMSA-N 2 1 331.485 3.469 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnco3)C[C@@H]21 ZINC001140928587 1378183677 /nfs/dbraw/zinc/18/36/77/1378183677.db2.gz UGQLOUIZEHSALQ-FHLIZLRMSA-N 2 1 331.485 3.469 20 0 EGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(F)(F)F)cc3C)C[C@@H]2C1 ZINC001140965224 1378196307 /nfs/dbraw/zinc/19/63/07/1378196307.db2.gz JFXULUGBVADZBL-GASCZTMLSA-N 2 1 328.378 3.277 20 0 EGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(F)(F)F)cc3C)C[C@@H]2C1 ZINC001140965224 1378196311 /nfs/dbraw/zinc/19/63/11/1378196311.db2.gz JFXULUGBVADZBL-GASCZTMLSA-N 2 1 328.378 3.277 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3C)C[C@@H]2C1 ZINC001140965224 1378196316 /nfs/dbraw/zinc/19/63/16/1378196316.db2.gz JFXULUGBVADZBL-GASCZTMLSA-N 2 1 328.378 3.277 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3C)C[C@@H]2C1 ZINC001140965224 1378196318 /nfs/dbraw/zinc/19/63/18/1378196318.db2.gz JFXULUGBVADZBL-GASCZTMLSA-N 2 1 328.378 3.277 20 0 EGADMP c1cc2c(cc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)OCCO2 ZINC001141040499 1378217271 /nfs/dbraw/zinc/21/72/71/1378217271.db2.gz JOILVBDSJSQCOI-SFHVURJKSA-N 2 1 330.472 3.298 20 0 EGADMP c1cc2c(cc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1)OCCO2 ZINC001141040499 1378217279 /nfs/dbraw/zinc/21/72/79/1378217279.db2.gz JOILVBDSJSQCOI-SFHVURJKSA-N 2 1 330.472 3.298 20 0 EGADMP CCc1ccccc1C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001141226734 1378276074 /nfs/dbraw/zinc/27/60/74/1378276074.db2.gz GDRYVRJQWVFHGF-FGZHOGPDSA-N 2 1 342.527 3.429 20 0 EGADMP CC(=O)OCc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)o1 ZINC001141792347 1378378287 /nfs/dbraw/zinc/37/82/87/1378378287.db2.gz NLXNMOJZTWOAOR-IRXDYDNUSA-N 2 1 334.460 3.182 20 0 EGADMP CC(=O)OCc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)o1 ZINC001141792347 1378378293 /nfs/dbraw/zinc/37/82/93/1378378293.db2.gz NLXNMOJZTWOAOR-IRXDYDNUSA-N 2 1 334.460 3.182 20 0 EGADMP CC(=O)OCc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)o1 ZINC001141792347 1378378298 /nfs/dbraw/zinc/37/82/98/1378378298.db2.gz NLXNMOJZTWOAOR-IRXDYDNUSA-N 2 1 334.460 3.182 20 0 EGADMP CC(=O)OCc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)o1 ZINC001141792347 1378378305 /nfs/dbraw/zinc/37/83/05/1378378305.db2.gz NLXNMOJZTWOAOR-IRXDYDNUSA-N 2 1 334.460 3.182 20 0 EGADMP CC[NH+](CC)CCN1CC[NH+](Cc2coc3ccc(F)cc23)CC1 ZINC001141846675 1378384855 /nfs/dbraw/zinc/38/48/55/1378384855.db2.gz ILKMFYKZAYPMBC-UHFFFAOYSA-N 2 1 333.451 3.031 20 0 EGADMP COc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)ccc1C(F)(F)F ZINC001143343254 1378583462 /nfs/dbraw/zinc/58/34/62/1378583462.db2.gz KMRUSALXHDDQNZ-KGLIPLIRSA-N 2 1 328.378 3.098 20 0 EGADMP COc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)ccc1C(F)(F)F ZINC001143343254 1378583466 /nfs/dbraw/zinc/58/34/66/1378583466.db2.gz KMRUSALXHDDQNZ-KGLIPLIRSA-N 2 1 328.378 3.098 20 0 EGADMP Fc1ccc(OC(F)F)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001327563368 1388559885 /nfs/dbraw/zinc/55/98/85/1388559885.db2.gz QKPDMYXZQXWCNM-UHFFFAOYSA-N 2 1 328.378 3.393 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(OC(F)(F)F)ccc3F)C[C@@H]2C1 ZINC001143542320 1378613448 /nfs/dbraw/zinc/61/34/48/1378613448.db2.gz SNIIRGZRYKCEFT-YPMHNXCESA-N 2 1 332.341 3.108 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(OC(F)(F)F)ccc3F)C[C@@H]2C1 ZINC001143542320 1378613451 /nfs/dbraw/zinc/61/34/51/1378613451.db2.gz SNIIRGZRYKCEFT-YPMHNXCESA-N 2 1 332.341 3.108 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(OC(F)(F)F)ccc3F)C[C@@H]2C1 ZINC001143542320 1378613456 /nfs/dbraw/zinc/61/34/56/1378613456.db2.gz SNIIRGZRYKCEFT-YPMHNXCESA-N 2 1 332.341 3.108 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(OC(F)(F)F)ccc3F)C[C@@H]2C1 ZINC001143542320 1378613460 /nfs/dbraw/zinc/61/34/60/1378613460.db2.gz SNIIRGZRYKCEFT-YPMHNXCESA-N 2 1 332.341 3.108 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001143838513 1378651906 /nfs/dbraw/zinc/65/19/06/1378651906.db2.gz LJIWWOJSEXTVCI-HKUYNNGSSA-N 2 1 345.531 3.352 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706320 1378902698 /nfs/dbraw/zinc/90/26/98/1378902698.db2.gz CRKPSMQOBOGAOP-ROUUACIJSA-N 2 1 345.531 3.182 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706320 1378902702 /nfs/dbraw/zinc/90/27/02/1378902702.db2.gz CRKPSMQOBOGAOP-ROUUACIJSA-N 2 1 345.531 3.182 20 0 EGADMP CC(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707036 1378903875 /nfs/dbraw/zinc/90/38/75/1378903875.db2.gz MPXCXBRKVZKCDP-ZWKOTPCHSA-N 2 1 333.520 3.037 20 0 EGADMP CC(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707036 1378903879 /nfs/dbraw/zinc/90/38/79/1378903879.db2.gz MPXCXBRKVZKCDP-ZWKOTPCHSA-N 2 1 333.520 3.037 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541333 1379039627 /nfs/dbraw/zinc/03/96/27/1379039627.db2.gz MLZREPQVURUSPN-MOPGFXCFSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147541333 1379039630 /nfs/dbraw/zinc/03/96/30/1379039630.db2.gz MLZREPQVURUSPN-MOPGFXCFSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147541333 1379039632 /nfs/dbraw/zinc/03/96/32/1379039632.db2.gz MLZREPQVURUSPN-MOPGFXCFSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001147893533 1379098059 /nfs/dbraw/zinc/09/80/59/1379098059.db2.gz RFUKKAGSLULYGL-IAGOWNOFSA-N 2 1 345.531 3.093 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001283705648 1379131750 /nfs/dbraw/zinc/13/17/50/1379131750.db2.gz URDBODUPOFALTR-IAGOWNOFSA-N 2 1 345.531 3.015 20 0 EGADMP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@@H+](CC[C@@H]1CCC[C@H](C)C1)C2 ZINC001148469775 1379179343 /nfs/dbraw/zinc/17/93/43/1379179343.db2.gz UYGKKYLAKSDFHJ-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001148577761 1379215926 /nfs/dbraw/zinc/21/59/26/1379215926.db2.gz BOKNPMYHAIODHJ-QGZVFWFLSA-N 2 1 341.499 3.339 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C2CCCCC2)cc1 ZINC001148642096 1379233068 /nfs/dbraw/zinc/23/30/68/1379233068.db2.gz FAQZDEXZKISSBF-UHFFFAOYSA-N 2 1 345.531 3.282 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH+](C)Cc1ccccc1 ZINC001149137522 1379331535 /nfs/dbraw/zinc/33/15/35/1379331535.db2.gz CJEPNRHJJQNCEE-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP CCC[NH+]1CCCC[C@H]1C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001149137522 1379331541 /nfs/dbraw/zinc/33/15/41/1379331541.db2.gz CJEPNRHJJQNCEE-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP CCC[NH+]1CCCC[C@H]1C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001149137522 1379331546 /nfs/dbraw/zinc/33/15/46/1379331546.db2.gz CJEPNRHJJQNCEE-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1)CC(C)(C)C ZINC001152023407 1379842187 /nfs/dbraw/zinc/84/21/87/1379842187.db2.gz JLEWSUHEODHJTR-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)CC(C)(C)C ZINC001152023407 1379842193 /nfs/dbraw/zinc/84/21/93/1379842193.db2.gz JLEWSUHEODHJTR-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)CC(C)(C)C ZINC001152023407 1379842201 /nfs/dbraw/zinc/84/22/01/1379842201.db2.gz JLEWSUHEODHJTR-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001152457942 1379936744 /nfs/dbraw/zinc/93/67/44/1379936744.db2.gz JDXIYNKGBQDCJD-HXUWFJFHSA-N 2 1 343.515 3.034 20 0 EGADMP CC[C@H]([NH2+]CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC001152528239 1379945747 /nfs/dbraw/zinc/94/57/47/1379945747.db2.gz BNAAPSYGMQFTIM-VQTJNVASSA-N 2 1 339.483 3.146 20 0 EGADMP CC[N@@H+](C/C=C/Cl)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677656 1380113327 /nfs/dbraw/zinc/11/33/27/1380113327.db2.gz LWIFHZFPAOUMQC-STMXVASLSA-N 2 1 343.924 3.002 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677930 1380113557 /nfs/dbraw/zinc/11/35/57/1380113557.db2.gz RZSQLUYIFYYKEK-OAHLLOKOSA-N 2 1 339.549 3.296 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677620 1380113638 /nfs/dbraw/zinc/11/36/38/1380113638.db2.gz JQYLUBYYLZJDDX-OAHLLOKOSA-N 2 1 339.549 3.440 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001153727949 1380119582 /nfs/dbraw/zinc/11/95/82/1380119582.db2.gz ITWNZQRWPIKLOO-PSUNPMBVSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001153727949 1380119583 /nfs/dbraw/zinc/11/95/83/1380119583.db2.gz ITWNZQRWPIKLOO-PSUNPMBVSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001153727949 1380119585 /nfs/dbraw/zinc/11/95/85/1380119585.db2.gz ITWNZQRWPIKLOO-PSUNPMBVSA-N 2 1 337.552 3.434 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001153802524 1380132471 /nfs/dbraw/zinc/13/24/71/1380132471.db2.gz JOYCFDSVGZBOQO-UYAOXDASSA-N 2 1 349.563 3.291 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001153802524 1380132472 /nfs/dbraw/zinc/13/24/72/1380132472.db2.gz JOYCFDSVGZBOQO-UYAOXDASSA-N 2 1 349.563 3.291 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001153802524 1380132474 /nfs/dbraw/zinc/13/24/74/1380132474.db2.gz JOYCFDSVGZBOQO-UYAOXDASSA-N 2 1 349.563 3.291 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001153814347 1380134976 /nfs/dbraw/zinc/13/49/76/1380134976.db2.gz BSCOKGLLDWEUEC-MSOLQXFVSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001153814347 1380134977 /nfs/dbraw/zinc/13/49/77/1380134977.db2.gz BSCOKGLLDWEUEC-MSOLQXFVSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001153814347 1380134978 /nfs/dbraw/zinc/13/49/78/1380134978.db2.gz BSCOKGLLDWEUEC-MSOLQXFVSA-N 2 1 339.568 3.227 20 0 EGADMP CC[N@@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153823818 1380137597 /nfs/dbraw/zinc/13/75/97/1380137597.db2.gz AIVGROJIAZEJSC-VQIMIIECSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153824374 1380137621 /nfs/dbraw/zinc/13/76/21/1380137621.db2.gz RVDRBVOIXJOWAC-AEFFLSMTSA-N 2 1 346.519 3.167 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153824374 1380137625 /nfs/dbraw/zinc/13/76/25/1380137625.db2.gz RVDRBVOIXJOWAC-AEFFLSMTSA-N 2 1 346.519 3.167 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153880127 1380149070 /nfs/dbraw/zinc/14/90/70/1380149070.db2.gz ZUSBIMUTEZMCPL-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC1CCCCC1)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153880127 1380149071 /nfs/dbraw/zinc/14/90/71/1380149071.db2.gz ZUSBIMUTEZMCPL-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC1CCCCC1)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153880127 1380149072 /nfs/dbraw/zinc/14/90/72/1380149072.db2.gz ZUSBIMUTEZMCPL-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930504 1380157019 /nfs/dbraw/zinc/15/70/19/1380157019.db2.gz NHONLDFSYQDQBJ-MJGOQNOKSA-N 2 1 339.568 3.370 20 0 EGADMP CC[C@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116288 1380211838 /nfs/dbraw/zinc/21/18/38/1380211838.db2.gz GCSNJVOZPDJJNY-LSDHHAIUSA-N 2 1 330.476 3.129 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167964 1380219809 /nfs/dbraw/zinc/21/98/09/1380219809.db2.gz XGICLIKKWVBWAZ-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167974 1380219862 /nfs/dbraw/zinc/21/98/62/1380219862.db2.gz XQPDBFMKUWXRRI-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154481752 1380286370 /nfs/dbraw/zinc/28/63/70/1380286370.db2.gz SPBWOECHNRDLNC-QGZVFWFLSA-N 2 1 345.531 3.031 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001154784992 1380350828 /nfs/dbraw/zinc/35/08/28/1380350828.db2.gz VATLSYCNPFQUIA-MSOLQXFVSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001154784992 1380350830 /nfs/dbraw/zinc/35/08/30/1380350830.db2.gz VATLSYCNPFQUIA-MSOLQXFVSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001154784992 1380350831 /nfs/dbraw/zinc/35/08/31/1380350831.db2.gz VATLSYCNPFQUIA-MSOLQXFVSA-N 2 1 325.541 3.125 20 0 EGADMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001155024002 1380393394 /nfs/dbraw/zinc/39/33/94/1380393394.db2.gz GLBZWDHNNMLEQD-LSDHHAIUSA-N 2 1 336.911 3.378 20 0 EGADMP c1ccc2c(c1)CC[N@@H+]1CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]21 ZINC001155094950 1380407087 /nfs/dbraw/zinc/40/70/87/1380407087.db2.gz HIXOBUKRBFHLBS-OAQYLSRUSA-N 2 1 348.494 3.097 20 0 EGADMP COc1cc2[nH+]c(NC[C@@]3(F)CCCC[NH2+]C3)ccc2c(OC)c1 ZINC001155123960 1380413143 /nfs/dbraw/zinc/41/31/43/1380413143.db2.gz PMERRUXMFBPXIP-GOSISDBHSA-N 2 1 333.407 3.146 20 0 EGADMP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155225952 1380426455 /nfs/dbraw/zinc/42/64/55/1380426455.db2.gz DCQRJZOBAKQOPF-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155225952 1380426456 /nfs/dbraw/zinc/42/64/56/1380426456.db2.gz DCQRJZOBAKQOPF-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155225952 1380426457 /nfs/dbraw/zinc/42/64/57/1380426457.db2.gz DCQRJZOBAKQOPF-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155263220 1380430154 /nfs/dbraw/zinc/43/01/54/1380430154.db2.gz NHQVAPQPMYVYDE-GOSISDBHSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](Cc1cccc(C)c1)[C@H](C)CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001155263220 1380430155 /nfs/dbraw/zinc/43/01/55/1380430155.db2.gz NHQVAPQPMYVYDE-GOSISDBHSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](Cc1cccc(C)c1)[C@H](C)CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001155263220 1380430156 /nfs/dbraw/zinc/43/01/56/1380430156.db2.gz NHQVAPQPMYVYDE-GOSISDBHSA-N 2 1 345.531 3.054 20 0 EGADMP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559543 1380468580 /nfs/dbraw/zinc/46/85/80/1380468580.db2.gz SKBIWJAOXKPKSG-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559543 1380468582 /nfs/dbraw/zinc/46/85/82/1380468582.db2.gz SKBIWJAOXKPKSG-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001155802145 1380493559 /nfs/dbraw/zinc/49/35/59/1380493559.db2.gz GVTCEXKKDPOGAE-JXFKEZNVSA-N 2 1 339.483 3.091 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155993968 1380511739 /nfs/dbraw/zinc/51/17/39/1380511739.db2.gz CKQWQWFJLKBAST-CSHXORCISA-N 2 1 337.552 3.291 20 0 EGADMP COC(=O)c1c(C)cc(C)[nH+]c1NCc1cccc(C[NH+](C)C)c1 ZINC001156045071 1380517010 /nfs/dbraw/zinc/51/70/10/1380517010.db2.gz ZMQHEIIIWPABMI-UHFFFAOYSA-N 2 1 327.428 3.159 20 0 EGADMP Cn1ccc2c1nc[nH+]c2N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001156314295 1380556811 /nfs/dbraw/zinc/55/68/11/1380556811.db2.gz FGBPHOJXIDZMFH-YTQUADARSA-N 2 1 347.466 3.291 20 0 EGADMP Cn1ccc2c1nc[nH+]c2N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001156314295 1380556813 /nfs/dbraw/zinc/55/68/13/1380556813.db2.gz FGBPHOJXIDZMFH-YTQUADARSA-N 2 1 347.466 3.291 20 0 EGADMP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374130 1380567011 /nfs/dbraw/zinc/56/70/11/1380567011.db2.gz JXHVFZNOLJOURN-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156374130 1380567014 /nfs/dbraw/zinc/56/70/14/1380567014.db2.gz JXHVFZNOLJOURN-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156374130 1380567016 /nfs/dbraw/zinc/56/70/16/1380567016.db2.gz JXHVFZNOLJOURN-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428718 1380575178 /nfs/dbraw/zinc/57/51/78/1380575178.db2.gz WOOVSXSBRXXWDE-MRXNPFEDSA-N 2 1 344.503 3.088 20 0 EGADMP CC[C@@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157086416 1380772448 /nfs/dbraw/zinc/77/24/48/1380772448.db2.gz SRTRZTNVPAJOSW-IAGOWNOFSA-N 2 1 333.520 3.235 20 0 EGADMP CC[N@@H+](Cc1ccccc1F)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098749 1380774859 /nfs/dbraw/zinc/77/48/59/1380774859.db2.gz WWUJSBICOFCBAP-QGZVFWFLSA-N 2 1 349.494 3.028 20 0 EGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098419 1380774913 /nfs/dbraw/zinc/77/49/13/1380774913.db2.gz FEGMPMHBZQFHPK-QGZVFWFLSA-N 2 1 349.494 3.028 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098792 1380774931 /nfs/dbraw/zinc/77/49/31/1380774931.db2.gz YPIWCRQEJVHAPC-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157109739 1380778855 /nfs/dbraw/zinc/77/88/55/1380778855.db2.gz TYJVFPJPEZTFKR-CYBMUJFWSA-N 2 1 345.940 3.068 20 0 EGADMP CC[NH+](Cc1ccc(Cl)s1)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157109739 1380778857 /nfs/dbraw/zinc/77/88/57/1380778857.db2.gz TYJVFPJPEZTFKR-CYBMUJFWSA-N 2 1 345.940 3.068 20 0 EGADMP CC[NH+](Cc1ccc(Cl)s1)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157109739 1380778862 /nfs/dbraw/zinc/77/88/62/1380778862.db2.gz TYJVFPJPEZTFKR-CYBMUJFWSA-N 2 1 345.940 3.068 20 0 EGADMP CC[N@@H+](CC1CC(C)C1)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157138368 1380784391 /nfs/dbraw/zinc/78/43/91/1380784391.db2.gz XOJSMCAWQAOGPS-LXPRWKDFSA-N 2 1 345.531 3.235 20 0 EGADMP C[N@@H+](CCC1CCCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157701878 1381008265 /nfs/dbraw/zinc/00/82/65/1381008265.db2.gz KQRYNBFVPDRYEJ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001157701878 1381008268 /nfs/dbraw/zinc/00/82/68/1381008268.db2.gz KQRYNBFVPDRYEJ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001157701878 1381008272 /nfs/dbraw/zinc/00/82/72/1381008272.db2.gz KQRYNBFVPDRYEJ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001157973402 1381089252 /nfs/dbraw/zinc/08/92/52/1381089252.db2.gz ASUQTEBIWPCEJM-IEVDXQOXSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001157973402 1381089256 /nfs/dbraw/zinc/08/92/56/1381089256.db2.gz ASUQTEBIWPCEJM-IEVDXQOXSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001157973402 1381089259 /nfs/dbraw/zinc/08/92/59/1381089259.db2.gz ASUQTEBIWPCEJM-IEVDXQOXSA-N 2 1 349.563 3.386 20 0 EGADMP O=C(NCCC[NH2+]CCCC1CCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158097755 1381126345 /nfs/dbraw/zinc/12/63/45/1381126345.db2.gz DQOAPSXYZMDVOX-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](C2CCN(c3cc(F)cc4ccc(Cl)nc43)CC2)C1 ZINC001158261542 1381176418 /nfs/dbraw/zinc/17/64/18/1381176418.db2.gz NFZGVVJZANXQGJ-AWEZNQCLSA-N 2 1 348.853 3.029 20 0 EGADMP [NH3+][C@H]1CC[N@H+](C2CCN(c3cc(F)cc4ccc(Cl)nc43)CC2)C1 ZINC001158261542 1381176423 /nfs/dbraw/zinc/17/64/23/1381176423.db2.gz NFZGVVJZANXQGJ-AWEZNQCLSA-N 2 1 348.853 3.029 20 0 EGADMP Cc1cc2[nH]ccc2c(N(c2ccncc2F)C2CC[NH2+]CC2)[nH+]1 ZINC001158339692 1381207590 /nfs/dbraw/zinc/20/75/90/1381207590.db2.gz IQBMKWWWCJJDOA-UHFFFAOYSA-N 2 1 325.391 3.296 20 0 EGADMP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158434816 1381245030 /nfs/dbraw/zinc/24/50/30/1381245030.db2.gz NDYMMKDWZRTKRA-ROUKRRSUSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001158486750 1381263694 /nfs/dbraw/zinc/26/36/94/1381263694.db2.gz JCQXCWIRTDJLOV-COQIJWMOSA-N 2 1 337.552 3.386 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CC1)[NH+](CC)CC ZINC001158491107 1381265979 /nfs/dbraw/zinc/26/59/79/1381265979.db2.gz JOAICNIWOGEAIJ-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(NCC[C@H]4CCC[NH2+]4)ccc3C2)cc1 ZINC001158628727 1381330999 /nfs/dbraw/zinc/33/09/99/1381330999.db2.gz MAEUKLKDZAZOAL-LJQANCHMSA-N 2 1 336.483 3.194 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001158645932 1381335335 /nfs/dbraw/zinc/33/53/35/1381335335.db2.gz DPVQHDRZGUEZRW-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001158913781 1381461322 /nfs/dbraw/zinc/46/13/22/1381461322.db2.gz CJZBIVJQJLCAJG-HXUWFJFHSA-N 2 1 345.531 3.475 20 0 EGADMP [NH3+]CCCCCCCC(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158968003 1381490756 /nfs/dbraw/zinc/49/07/56/1381490756.db2.gz IEDFXPVTULCXAC-UHFFFAOYSA-N 2 1 335.536 3.153 20 0 EGADMP CC[NH+](CC)c1ccc(Nc2cnc(N3CC[NH2+]CC3)c(C)c2)cc1 ZINC001159426845 1381792675 /nfs/dbraw/zinc/79/26/75/1381792675.db2.gz OKAWLERIVAUJJD-UHFFFAOYSA-N 2 1 339.487 3.389 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC001159909219 1381934633 /nfs/dbraw/zinc/93/46/33/1381934633.db2.gz LMIZJZJZVVKKOP-IRXDYDNUSA-N 2 1 349.494 3.246 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(NC[C@H]4CCCC[NH2+]4)ccc3C2)cc1 ZINC001160145882 1382015729 /nfs/dbraw/zinc/01/57/29/1382015729.db2.gz XAOCDGFCWNODRF-LJQANCHMSA-N 2 1 336.483 3.194 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)CC[C@@H]2CCC[N@H+]2C)c1 ZINC001160274457 1382057855 /nfs/dbraw/zinc/05/78/55/1382057855.db2.gz SPWYBFFZOZZDJO-MOPGFXCFSA-N 2 1 345.531 3.335 20 0 EGADMP C[NH+](C)C1(C(=O)NCCC2=CC[N@@H+](CC3=CCCCC3)CC2)CCC1 ZINC001160360079 1382082773 /nfs/dbraw/zinc/08/27/73/1382082773.db2.gz IJCTVTGZHJXAMP-UHFFFAOYSA-N 2 1 345.531 3.110 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC1=CC[NH+](CC2CCC2)CC1 ZINC001160360338 1382082783 /nfs/dbraw/zinc/08/27/83/1382082783.db2.gz PINIZMSBCIMDEO-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NCCC1=CC[N@H+](CC2CCC2)CC1 ZINC001160360338 1382082784 /nfs/dbraw/zinc/08/27/84/1382082784.db2.gz PINIZMSBCIMDEO-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001160360338 1382082787 /nfs/dbraw/zinc/08/27/87/1382082787.db2.gz PINIZMSBCIMDEO-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[C@@H](C(=O)NCCC1=CC[N@@H+](CCC2CCCC2)CC1)[NH+](C)C ZINC001160405902 1382095663 /nfs/dbraw/zinc/09/56/63/1382095663.db2.gz DXFNSEBPZSNXJE-FQEVSTJZSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001160467891 1382114248 /nfs/dbraw/zinc/11/42/48/1382114248.db2.gz YPMUQGWWMDQLSK-VQTJNVASSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001160467891 1382114252 /nfs/dbraw/zinc/11/42/52/1382114252.db2.gz YPMUQGWWMDQLSK-VQTJNVASSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001160467891 1382114256 /nfs/dbraw/zinc/11/42/56/1382114256.db2.gz YPMUQGWWMDQLSK-VQTJNVASSA-N 2 1 345.531 3.108 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160856936 1382217604 /nfs/dbraw/zinc/21/76/04/1382217604.db2.gz SFPDLCHVQUCUGW-WAYWQWQTSA-N 2 1 347.547 3.356 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC001293540000 1382297759 /nfs/dbraw/zinc/29/77/59/1382297759.db2.gz HBTZLMVBRNMISL-AABGKKOBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC001293540000 1382297762 /nfs/dbraw/zinc/29/77/62/1382297762.db2.gz HBTZLMVBRNMISL-AABGKKOBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC001293540000 1382297767 /nfs/dbraw/zinc/29/77/67/1382297767.db2.gz HBTZLMVBRNMISL-AABGKKOBSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C)c1cc[nH+]c(N[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)c1 ZINC001161180279 1382328666 /nfs/dbraw/zinc/32/86/66/1382328666.db2.gz BLJXZPGJMGFNPS-INIZCTEOSA-N 2 1 330.863 3.487 20 0 EGADMP CC[C@H](C(=O)NCCC1=CC[N@@H+](C[C@@H](C)CC)CC1)[NH+](CC)CC ZINC001161214290 1382344842 /nfs/dbraw/zinc/34/48/42/1382344842.db2.gz XSIOSQGHZPJKDV-PKOBYXMFSA-N 2 1 337.552 3.291 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CCC2)CC1 ZINC001161390664 1382394050 /nfs/dbraw/zinc/39/40/50/1382394050.db2.gz IOLBMJRYLBJBBE-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2CCC2)CC1 ZINC001161390664 1382394055 /nfs/dbraw/zinc/39/40/55/1382394055.db2.gz IOLBMJRYLBJBBE-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001161390664 1382394058 /nfs/dbraw/zinc/39/40/58/1382394058.db2.gz IOLBMJRYLBJBBE-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444328 1382412160 /nfs/dbraw/zinc/41/21/60/1382412160.db2.gz BZVXPXKOPPFVAD-WOJBJXKFSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001161444328 1382412165 /nfs/dbraw/zinc/41/21/65/1382412165.db2.gz BZVXPXKOPPFVAD-WOJBJXKFSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001161444328 1382412169 /nfs/dbraw/zinc/41/21/69/1382412169.db2.gz BZVXPXKOPPFVAD-WOJBJXKFSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444326 1382412201 /nfs/dbraw/zinc/41/22/01/1382412201.db2.gz BZVXPXKOPPFVAD-VQTJNVASSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001161444326 1382412204 /nfs/dbraw/zinc/41/22/04/1382412204.db2.gz BZVXPXKOPPFVAD-VQTJNVASSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001161444326 1382412208 /nfs/dbraw/zinc/41/22/08/1382412208.db2.gz BZVXPXKOPPFVAD-VQTJNVASSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH+](C)Cc1ccccc1 ZINC001294428696 1382456794 /nfs/dbraw/zinc/45/67/94/1382456794.db2.gz TXYQARSMYJQCCJ-AZUAARDMSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001294428696 1382456797 /nfs/dbraw/zinc/45/67/97/1382456797.db2.gz TXYQARSMYJQCCJ-AZUAARDMSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001294428696 1382456800 /nfs/dbraw/zinc/45/68/00/1382456800.db2.gz TXYQARSMYJQCCJ-AZUAARDMSA-N 2 1 345.531 3.134 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001161644943 1382468568 /nfs/dbraw/zinc/46/85/68/1382468568.db2.gz VRZWGFVQVHVPGZ-AZUAARDMSA-N 2 1 345.531 3.272 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CCC)CC1 ZINC001161755264 1382495922 /nfs/dbraw/zinc/49/59/22/1382495922.db2.gz STTQZAJPTILLDU-FPLPWBNLSA-N 2 1 335.536 3.213 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001161755264 1382495925 /nfs/dbraw/zinc/49/59/25/1382495925.db2.gz STTQZAJPTILLDU-FPLPWBNLSA-N 2 1 335.536 3.213 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001161755264 1382495931 /nfs/dbraw/zinc/49/59/31/1382495931.db2.gz STTQZAJPTILLDU-FPLPWBNLSA-N 2 1 335.536 3.213 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CCC)CC1 ZINC001161755263 1382496297 /nfs/dbraw/zinc/49/62/97/1382496297.db2.gz STTQZAJPTILLDU-BQYQJAHWSA-N 2 1 335.536 3.213 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001161755263 1382496298 /nfs/dbraw/zinc/49/62/98/1382496298.db2.gz STTQZAJPTILLDU-BQYQJAHWSA-N 2 1 335.536 3.213 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001161755263 1382496301 /nfs/dbraw/zinc/49/63/01/1382496301.db2.gz STTQZAJPTILLDU-BQYQJAHWSA-N 2 1 335.536 3.213 20 0 EGADMP CC1CC(C[N@@H+]2CC=C(CCNC(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001161938821 1382562635 /nfs/dbraw/zinc/56/26/35/1382562635.db2.gz YCDLHIBBBFQFLM-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP CCc1nc(NC2(c3cccc(OC)c3)CC[NH2+]CC2)cc(C)[nH+]1 ZINC001161996079 1382592977 /nfs/dbraw/zinc/59/29/77/1382592977.db2.gz CAIYPYSTCSBXLX-UHFFFAOYSA-N 2 1 326.444 3.047 20 0 EGADMP CCN(C)c1cc[nH+]c(N(CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001162182388 1382651102 /nfs/dbraw/zinc/65/11/02/1382651102.db2.gz INILKFVSHLDUIM-QAQDUYKDSA-N 2 1 331.508 3.199 20 0 EGADMP c1[nH+]c2cc(N[C@@]34CCC[C@@H]3[NH2+]CC4)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001162985017 1382938103 /nfs/dbraw/zinc/93/81/03/1382938103.db2.gz XFJWOFRDEFZBMS-FFZOFVMBSA-N 3 1 339.487 3.047 20 0 EGADMP CCOC(=O)c1c[nH]c2cc(N[C@H]3CC[N@H+](C(C)C)C[C@H]3C)[nH+]cc21 ZINC001163366650 1383032870 /nfs/dbraw/zinc/03/28/70/1383032870.db2.gz WAAVFGGLPHZILL-CJNGLKHVSA-N 2 1 344.459 3.270 20 0 EGADMP c1cc2c3c([nH]c2c(N[C@H]2CCCC[C@@]24C[NH2+]CCO4)[nH+]1)CCCC3 ZINC001163644286 1383094320 /nfs/dbraw/zinc/09/43/20/1383094320.db2.gz DXCVBMJLPOQJQI-FXAWDEMLSA-N 2 1 340.471 3.155 20 0 EGADMP C[N@H+]1CCN(c2ncccc2C[NH+]2CCCC2)[C@@H](c2ccccc2)C1 ZINC001163674165 1383102800 /nfs/dbraw/zinc/10/28/00/1383102800.db2.gz IHRPECANPMORJB-HXUWFJFHSA-N 2 1 336.483 3.171 20 0 EGADMP CC[C@H]([NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC001163822188 1383125817 /nfs/dbraw/zinc/12/58/17/1383125817.db2.gz UZZKUVBAPOGDNL-OALUTQOASA-N 2 1 343.515 3.108 20 0 EGADMP Cc1[nH+]ccn1CCNc1cc(C[NH+](C)C)ccc1Br ZINC001163932984 1383137141 /nfs/dbraw/zinc/13/71/41/1383137141.db2.gz IGWNDJMHZNKTSI-UHFFFAOYSA-N 2 1 337.265 3.128 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]CC2CCCCCC2)C1 ZINC001164449606 1383187880 /nfs/dbraw/zinc/18/78/80/1383187880.db2.gz ODEVGCNBJJPCJA-IBGZPJMESA-N 2 1 337.552 3.175 20 0 EGADMP O=C(NCCC[NH2+]CC1CCCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164500675 1383193899 /nfs/dbraw/zinc/19/38/99/1383193899.db2.gz AVHAVCKIHXFLJG-HXUWFJFHSA-N 2 1 349.563 3.460 20 0 EGADMP CCCN(CC[NH+]1CCCCC1)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001297732898 1383229815 /nfs/dbraw/zinc/22/98/15/1383229815.db2.gz GLSGRFGEHCKTGS-FQEVSTJZSA-N 2 1 345.531 3.404 20 0 EGADMP CCCN(CC[NH+]1CCCCC1)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001297732898 1383229819 /nfs/dbraw/zinc/22/98/19/1383229819.db2.gz GLSGRFGEHCKTGS-FQEVSTJZSA-N 2 1 345.531 3.404 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CCN(c2cc(CSC)ccn2)CC1 ZINC001165112694 1383230503 /nfs/dbraw/zinc/23/05/03/1383230503.db2.gz NPKHJYQYZHQHGK-KRWDZBQOSA-N 2 1 335.517 3.024 20 0 EGADMP [NH3+][C@H]1CCN(c2ccccc2NC2=CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001165213371 1383249630 /nfs/dbraw/zinc/24/96/30/1383249630.db2.gz MIBUQSOHARHVOI-IBGZPJMESA-N 2 1 348.494 3.426 20 0 EGADMP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001165331711 1383274695 /nfs/dbraw/zinc/27/46/95/1383274695.db2.gz ARYCDVDCVJQDPR-LIXSYLKWSA-N 2 1 349.563 3.483 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001165333621 1383275985 /nfs/dbraw/zinc/27/59/85/1383275985.db2.gz RPOJFNBODZXBJM-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CCC/C=C\CC[NH2+]CC1(CCNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001165809740 1383348353 /nfs/dbraw/zinc/34/83/53/1383348353.db2.gz MSLCFPABSQVTLV-KTKRTIGZSA-N 2 1 337.552 3.339 20 0 EGADMP CSc1nc(NCC2CC[NH+](C(C)C)CC2)cc(N2CCCC2)[nH+]1 ZINC001166603219 1383444467 /nfs/dbraw/zinc/44/44/67/1383444467.db2.gz GWMQUHIJVPHSQN-UHFFFAOYSA-N 2 1 349.548 3.331 20 0 EGADMP CSc1nc(N2CCCC2)cc(NCC2CC[NH+](C(C)C)CC2)[nH+]1 ZINC001166603219 1383444469 /nfs/dbraw/zinc/44/44/69/1383444469.db2.gz GWMQUHIJVPHSQN-UHFFFAOYSA-N 2 1 349.548 3.331 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001167240175 1383573013 /nfs/dbraw/zinc/57/30/13/1383573013.db2.gz DQQIPTDCKPFQKG-UHFFFAOYSA-N 2 1 339.568 3.277 20 0 EGADMP COC(=O)CC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C(C)C ZINC001167377476 1383615249 /nfs/dbraw/zinc/61/52/49/1383615249.db2.gz RPYIEPJQDAKNCM-UHFFFAOYSA-N 2 1 332.488 3.446 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1 ZINC001167385649 1383619200 /nfs/dbraw/zinc/61/92/00/1383619200.db2.gz MGRAQHXUXYMJBT-CTWPCTMYSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[C@]1(C)CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001167509432 1383654863 /nfs/dbraw/zinc/65/48/63/1383654863.db2.gz NCOYDBIFPVFUMG-PZJWPPBQSA-N 2 1 345.531 3.308 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001167636624 1383695026 /nfs/dbraw/zinc/69/50/26/1383695026.db2.gz WFXXBCKGUJUHDI-VQTJNVASSA-N 2 1 345.531 3.497 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC(C)(C)[NH+](Cc2ccccc2)CC1(C)C ZINC001301494742 1383717872 /nfs/dbraw/zinc/71/78/72/1383717872.db2.gz VXMPYDUEFWNQDK-UHFFFAOYSA-N 2 1 345.531 3.230 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC(C)(C)[N@H+](Cc2ccccc2)CC1(C)C ZINC001301494742 1383717875 /nfs/dbraw/zinc/71/78/75/1383717875.db2.gz VXMPYDUEFWNQDK-UHFFFAOYSA-N 2 1 345.531 3.230 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC(C)(C)[N@@H+](Cc2ccccc2)CC1(C)C ZINC001301494742 1383717879 /nfs/dbraw/zinc/71/78/79/1383717879.db2.gz VXMPYDUEFWNQDK-UHFFFAOYSA-N 2 1 345.531 3.230 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)N1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001301660862 1383724769 /nfs/dbraw/zinc/72/47/69/1383724769.db2.gz HLGAFBJXZCHZKR-MSOLQXFVSA-N 2 1 349.906 3.077 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)N1CC[NH+](CCc2cccs2)CC1 ZINC001167827154 1383751170 /nfs/dbraw/zinc/75/11/70/1383751170.db2.gz UBCAVUOSYSRHML-SFHVURJKSA-N 2 1 337.577 3.419 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](Oc2cc(OC)ccn2)C1 ZINC001167833658 1383753172 /nfs/dbraw/zinc/75/31/72/1383753172.db2.gz CXPNKCWYWCQSLM-AEFFLSMTSA-N 2 1 335.492 3.054 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001167838477 1383755615 /nfs/dbraw/zinc/75/56/15/1383755615.db2.gz VEKVLTYVHHOBJU-SFHVURJKSA-N 3 1 339.568 3.072 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)N1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001167838477 1383755618 /nfs/dbraw/zinc/75/56/18/1383755618.db2.gz VEKVLTYVHHOBJU-SFHVURJKSA-N 2 1 339.568 3.072 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)N1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001167838477 1383755629 /nfs/dbraw/zinc/75/56/29/1383755629.db2.gz VEKVLTYVHHOBJU-SFHVURJKSA-N 2 1 339.568 3.072 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC001167841111 1383756931 /nfs/dbraw/zinc/75/69/31/1383756931.db2.gz KEAJDSQNABYEHZ-VQIMIIECSA-N 2 1 332.488 3.269 20 0 EGADMP O[C@H]1CCc2ccccc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167967143 1383781739 /nfs/dbraw/zinc/78/17/39/1383781739.db2.gz DMTTWYBDWUANHO-HRMWUGKZSA-N 2 1 326.484 3.030 20 0 EGADMP O[C@H]1CCc2ccccc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967143 1383781742 /nfs/dbraw/zinc/78/17/42/1383781742.db2.gz DMTTWYBDWUANHO-HRMWUGKZSA-N 2 1 326.484 3.030 20 0 EGADMP CC(C)C(=O)N[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975881 1383784061 /nfs/dbraw/zinc/78/40/61/1383784061.db2.gz YUTPAFSAPAZZOJ-LJRDSGNISA-N 2 1 347.547 3.065 20 0 EGADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cc2ccccc2o1 ZINC001167981924 1383786549 /nfs/dbraw/zinc/78/65/49/1383786549.db2.gz PKPPKNUQZOPBJH-XVLXNVKGSA-N 2 1 340.467 3.461 20 0 EGADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cc2ccccc2o1 ZINC001167981924 1383786553 /nfs/dbraw/zinc/78/65/53/1383786553.db2.gz PKPPKNUQZOPBJH-XVLXNVKGSA-N 2 1 340.467 3.461 20 0 EGADMP c1cncc(O[C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001167995410 1383792077 /nfs/dbraw/zinc/79/20/77/1383792077.db2.gz FDVDDICRCDRQHA-VHRCFOOQSA-N 2 1 341.499 3.330 20 0 EGADMP c1cncc(O[C@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001167995410 1383792081 /nfs/dbraw/zinc/79/20/81/1383792081.db2.gz FDVDDICRCDRQHA-VHRCFOOQSA-N 2 1 341.499 3.330 20 0 EGADMP c1cncc(O[C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001167995410 1383792085 /nfs/dbraw/zinc/79/20/85/1383792085.db2.gz FDVDDICRCDRQHA-VHRCFOOQSA-N 2 1 341.499 3.330 20 0 EGADMP c1cc(O[C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)ccn1 ZINC001168002471 1383792913 /nfs/dbraw/zinc/79/29/13/1383792913.db2.gz TXPAGABJBIYLOU-KXZRCVDZSA-N 2 1 341.499 3.330 20 0 EGADMP c1cc(O[C@@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)ccn1 ZINC001168002471 1383792915 /nfs/dbraw/zinc/79/29/15/1383792915.db2.gz TXPAGABJBIYLOU-KXZRCVDZSA-N 2 1 341.499 3.330 20 0 EGADMP c1cc(O[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)ccn1 ZINC001168002471 1383792920 /nfs/dbraw/zinc/79/29/20/1383792920.db2.gz TXPAGABJBIYLOU-KXZRCVDZSA-N 2 1 341.499 3.330 20 0 EGADMP Cc1cnc(CC[NH3+])n1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168010963 1383796019 /nfs/dbraw/zinc/79/60/19/1383796019.db2.gz LVGGWMAWFBKPTM-HGKCTWBKSA-N 2 1 326.488 3.307 20 0 EGADMP COC(=O)[C@H]1CCC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059466 1383807527 /nfs/dbraw/zinc/80/75/27/1383807527.db2.gz FQKPOYAOKJNQEM-LNLFQRSKSA-N 2 1 344.499 3.313 20 0 EGADMP COC(=O)[C@H]1C[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1C ZINC001168068049 1383809355 /nfs/dbraw/zinc/80/93/55/1383809355.db2.gz XDKIPFJMQZDXIR-XLSPSMHOSA-N 2 1 344.499 3.169 20 0 EGADMP CC1(Nc2nccc3c2CC[N@@H+](Cc2ccccc2)C3)CC[NH2+]CC1 ZINC001168184357 1383837676 /nfs/dbraw/zinc/83/76/76/1383837676.db2.gz YMMODURBQJBXEJ-UHFFFAOYSA-N 2 1 336.483 3.194 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001168315361 1383871849 /nfs/dbraw/zinc/87/18/49/1383871849.db2.gz VHGVMZZVRUBZMR-JCYILVPMSA-N 2 1 339.524 3.238 20 0 EGADMP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315770 1383871899 /nfs/dbraw/zinc/87/18/99/1383871899.db2.gz OCEQVXPZQLAUBB-PBPGXSGUSA-N 2 1 333.495 3.205 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CC1(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001168320634 1383872509 /nfs/dbraw/zinc/87/25/09/1383872509.db2.gz HTCPIODFFZNZHD-GOSISDBHSA-N 2 1 345.531 3.272 20 0 EGADMP COc1cccc(O[C@@H]2CCC[N@H+](C3CCC([NH+](C)C)CC3)C2)c1 ZINC001168323269 1383872528 /nfs/dbraw/zinc/87/25/28/1383872528.db2.gz XALJBVDGFPIQAR-LBXVMSDZSA-N 2 1 332.488 3.411 20 0 EGADMP CCOC(=O)C[N@@H+]([C@H](C)c1ccccc1)C1CCC([NH+](C)C)CC1 ZINC001168329410 1383874367 /nfs/dbraw/zinc/87/43/67/1383874367.db2.gz SJTVUJXQWFTMOF-IPJUCJBFSA-N 2 1 332.488 3.486 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC1(C[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001168344407 1383879469 /nfs/dbraw/zinc/87/94/69/1383879469.db2.gz BDFAFTQGDWJTCM-INIZCTEOSA-N 2 1 349.494 3.103 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+][C@@H](C)c1ccccc1C ZINC001168363941 1383884681 /nfs/dbraw/zinc/88/46/81/1383884681.db2.gz YJUMHEXMTJSPCW-KRWDZBQOSA-N 2 1 342.487 3.137 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001168369460 1383886309 /nfs/dbraw/zinc/88/63/09/1383886309.db2.gz UKSKPBTZBSWSBV-KRWDZBQOSA-N 2 1 342.487 3.137 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC001168369267 1383886779 /nfs/dbraw/zinc/88/67/79/1383886779.db2.gz MXGWJBGUCZGFGA-IEBWSBKVSA-N 2 1 348.535 3.284 20 0 EGADMP Cc1ccnc(O[C@H]2CCC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168395030 1383894348 /nfs/dbraw/zinc/89/43/48/1383894348.db2.gz KHIBWAGDODUWBQ-IBGZPJMESA-N 2 1 329.488 3.108 20 0 EGADMP Cc1ccnc(O[C@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168395030 1383894356 /nfs/dbraw/zinc/89/43/56/1383894356.db2.gz KHIBWAGDODUWBQ-IBGZPJMESA-N 2 1 329.488 3.108 20 0 EGADMP Cc1cc(N([C@H](C)Cc2cccc(F)c2)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001168502035 1383925970 /nfs/dbraw/zinc/92/59/70/1383925970.db2.gz RMHRBFCNRXUCBC-OAHLLOKOSA-N 2 1 342.462 3.422 20 0 EGADMP COc1ccc([C@H]2C[C@H]([N@@H+](C)CC3CC[NH+](C)CC3)CCO2)cc1 ZINC001168653030 1383959647 /nfs/dbraw/zinc/95/96/47/1383959647.db2.gz LENIVMYLPYYCEN-UYAOXDASSA-N 2 1 332.488 3.189 20 0 EGADMP COc1ccc([C@@H]2C[C@H]([NH+]3CCC([NH+]4CCC4)CC3)CCO2)cc1 ZINC001168679304 1383968466 /nfs/dbraw/zinc/96/84/66/1383968466.db2.gz YUJYKGOGONJKBB-QUCCMNQESA-N 2 1 330.472 3.085 20 0 EGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001168840588 1384029248 /nfs/dbraw/zinc/02/92/48/1384029248.db2.gz VFLAGCQVNMNIMS-QZWWFDLISA-N 2 1 339.524 3.093 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C2 ZINC001169081264 1384104236 /nfs/dbraw/zinc/10/42/36/1384104236.db2.gz PMZLEKCRXAWYCV-BPKGMFCQSA-N 2 1 337.508 3.037 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169092882 1384105875 /nfs/dbraw/zinc/10/58/75/1384105875.db2.gz DNUREHYZSKFPJM-MZADTFQBSA-N 3 1 327.516 3.113 20 0 EGADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169092882 1384105877 /nfs/dbraw/zinc/10/58/77/1384105877.db2.gz DNUREHYZSKFPJM-MZADTFQBSA-N 2 1 327.516 3.113 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C2 ZINC001169099314 1384106696 /nfs/dbraw/zinc/10/66/96/1384106696.db2.gz PMZLEKCRXAWYCV-BQJWPVKWSA-N 2 1 337.508 3.037 20 0 EGADMP COC(=O)[C@](C)([NH3+])Cc1cn(-c2cc(C)[nH+]c(C)c2)c2ccccc12 ZINC001169115193 1384108557 /nfs/dbraw/zinc/10/85/57/1384108557.db2.gz OQFKOBMIAGBDKM-HXUWFJFHSA-N 2 1 337.423 3.075 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH3+])(c3ccc(Cl)cc3)CC1)C2 ZINC001169119581 1384109642 /nfs/dbraw/zinc/10/96/42/1384109642.db2.gz UYYPCHIGCYBVFR-BCDXTJNWSA-N 2 1 333.907 3.215 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129864 1384110988 /nfs/dbraw/zinc/11/09/88/1384110988.db2.gz LDAJMWWWSMYRGW-CLWJZODNSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129864 1384110990 /nfs/dbraw/zinc/11/09/90/1384110990.db2.gz LDAJMWWWSMYRGW-CLWJZODNSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129864 1384110992 /nfs/dbraw/zinc/11/09/92/1384110992.db2.gz LDAJMWWWSMYRGW-CLWJZODNSA-N 2 1 349.519 3.087 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC1)OCCc1ccccc13)C2 ZINC001169145502 1384114502 /nfs/dbraw/zinc/11/45/02/1384114502.db2.gz MSUIQQMTXXSMMV-REPLKXPHSA-N 2 1 326.484 3.176 20 0 EGADMP Cc1cc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c[nH+]c1N1CCOCC1 ZINC001169147525 1384114940 /nfs/dbraw/zinc/11/49/40/1384114940.db2.gz TVDXNFXANAXPOF-PXNSSMCTSA-N 2 1 346.519 3.182 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169153575 1384116214 /nfs/dbraw/zinc/11/62/14/1384116214.db2.gz KZTXRBFDVLASFF-XMTFNYHQSA-N 2 1 349.519 3.085 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169153575 1384116215 /nfs/dbraw/zinc/11/62/15/1384116215.db2.gz KZTXRBFDVLASFF-XMTFNYHQSA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169153575 1384116216 /nfs/dbraw/zinc/11/62/16/1384116216.db2.gz KZTXRBFDVLASFF-XMTFNYHQSA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169153575 1384116217 /nfs/dbraw/zinc/11/62/17/1384116217.db2.gz KZTXRBFDVLASFF-XMTFNYHQSA-N 2 1 349.519 3.085 20 0 EGADMP COc1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc(Cl)c1OC ZINC001308291864 1384117016 /nfs/dbraw/zinc/11/70/16/1384117016.db2.gz FSNPGUPIZXLSEI-KBPBESRZSA-N 2 1 326.868 3.320 20 0 EGADMP CCc1nn(C)cc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001308305736 1384117890 /nfs/dbraw/zinc/11/78/90/1384117890.db2.gz WZKNQVNIRQIOEV-LFUKPOHLSA-N 2 1 340.515 3.229 20 0 EGADMP CCc1nn(C)cc1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001308305736 1384117891 /nfs/dbraw/zinc/11/78/91/1384117891.db2.gz WZKNQVNIRQIOEV-LFUKPOHLSA-N 2 1 340.515 3.229 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccoc1C ZINC001308439897 1384126194 /nfs/dbraw/zinc/12/61/94/1384126194.db2.gz KYQISAJQPRVEEB-WOJBJXKFSA-N 2 1 328.456 3.215 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccoc1C ZINC001308439897 1384126196 /nfs/dbraw/zinc/12/61/96/1384126196.db2.gz KYQISAJQPRVEEB-WOJBJXKFSA-N 2 1 328.456 3.215 20 0 EGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001169247037 1384127226 /nfs/dbraw/zinc/12/72/26/1384127226.db2.gz WYKZIWXSSFVAQO-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001169247037 1384127227 /nfs/dbraw/zinc/12/72/27/1384127227.db2.gz WYKZIWXSSFVAQO-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+]1CCC(N2CC[C@]3(CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001169261201 1384128728 /nfs/dbraw/zinc/12/87/28/1384128728.db2.gz CTOUQOLWBJIOQA-OAQYLSRUSA-N 2 1 327.516 3.211 20 0 EGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001169261185 1384128779 /nfs/dbraw/zinc/12/87/79/1384128779.db2.gz CFXWFEYLWWLGQI-IAGOWNOFSA-N 2 1 339.524 3.238 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001169261185 1384128782 /nfs/dbraw/zinc/12/87/82/1384128782.db2.gz CFXWFEYLWWLGQI-IAGOWNOFSA-N 2 1 339.524 3.238 20 0 EGADMP CC[NH+]1CCC([N@@H+]2CCCC[C@@H]2[C@@H](C(=O)OC)c2ccccc2)CC1 ZINC001169261162 1384128916 /nfs/dbraw/zinc/12/89/16/1384128916.db2.gz BGCPVWOMWXJIFT-UXHICEINSA-N 2 1 344.499 3.282 20 0 EGADMP CC[NH+]1CCC([N@H+]2CCCC[C@@H]2[C@@H](C(=O)OC)c2ccccc2)CC1 ZINC001169261162 1384128918 /nfs/dbraw/zinc/12/89/18/1384128918.db2.gz BGCPVWOMWXJIFT-UXHICEINSA-N 2 1 344.499 3.282 20 0 EGADMP CCN1CCC([N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001169266611 1384129594 /nfs/dbraw/zinc/12/95/94/1384129594.db2.gz YLRCOSPKSJLSGV-UHFFFAOYSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+]1CCC([N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001169266611 1384129596 /nfs/dbraw/zinc/12/95/96/1384129596.db2.gz YLRCOSPKSJLSGV-UHFFFAOYSA-N 3 1 329.532 3.315 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001169266611 1384129598 /nfs/dbraw/zinc/12/95/98/1384129598.db2.gz YLRCOSPKSJLSGV-UHFFFAOYSA-N 3 1 329.532 3.315 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@@H]1C[C@H]1c1ccccc1 ZINC001308740816 1384146129 /nfs/dbraw/zinc/14/61/29/1384146129.db2.gz OMRQWTNVWPWEDR-HBMCJLEFSA-N 2 1 329.532 3.138 20 0 EGADMP C[C@@H](Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1)c1cnccn1 ZINC001169529898 1384156883 /nfs/dbraw/zinc/15/68/83/1384156883.db2.gz SAESLUOSFZDAAB-GDBMZVCRSA-N 2 1 336.443 3.314 20 0 EGADMP C[N@H+]1CCCC[C@@H]1c1ccc(N2CCCc3ccc(C[NH3+])nc32)nc1 ZINC001169590986 1384162941 /nfs/dbraw/zinc/16/29/41/1384162941.db2.gz SQWGUZORGQTJAB-GOSISDBHSA-N 2 1 337.471 3.176 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169809735 1384187783 /nfs/dbraw/zinc/18/77/83/1384187783.db2.gz JVOPMDPJJFQKML-IEBWSBKVSA-N 2 1 337.552 3.316 20 0 EGADMP CCCCCC[C@H](CC)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001170598407 1384347439 /nfs/dbraw/zinc/34/74/39/1384347439.db2.gz HVOTYRDBFVJINT-SFHVURJKSA-N 2 1 348.535 3.260 20 0 EGADMP COc1cc2[nH+]ccn2cc1N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001170629813 1384353691 /nfs/dbraw/zinc/35/36/91/1384353691.db2.gz IBBKUWRKDOGKBE-UHFFFAOYSA-N 2 1 340.471 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C)cc1 ZINC001170783891 1384384531 /nfs/dbraw/zinc/38/45/31/1384384531.db2.gz AQYCMCKVULMOPE-HXUWFJFHSA-N 2 1 345.531 3.246 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CCC1 ZINC001170878799 1384403727 /nfs/dbraw/zinc/40/37/27/1384403727.db2.gz REBSHMLZJZETTD-IAGOWNOFSA-N 2 1 348.535 3.461 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170910674 1384409557 /nfs/dbraw/zinc/40/95/57/1384409557.db2.gz MPESMCULUWJPMO-BZUAXINKSA-N 2 1 334.891 3.168 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCCCF ZINC001171120520 1384449881 /nfs/dbraw/zinc/44/98/81/1384449881.db2.gz NRHPFZCZEMMCEW-QZTJIDSGSA-N 2 1 343.531 3.265 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001316602039 1384469083 /nfs/dbraw/zinc/46/90/83/1384469083.db2.gz GFXQHFGLFKZRQT-ROUUACIJSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001316602039 1384469085 /nfs/dbraw/zinc/46/90/85/1384469085.db2.gz GFXQHFGLFKZRQT-ROUUACIJSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001316602039 1384469086 /nfs/dbraw/zinc/46/90/86/1384469086.db2.gz GFXQHFGLFKZRQT-ROUUACIJSA-N 2 1 339.568 3.179 20 0 EGADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001171287195 1384486106 /nfs/dbraw/zinc/48/61/06/1384486106.db2.gz CVLMKHGWTJNZCX-XQLPTFJDSA-N 2 1 334.891 3.421 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc3ccc(C[NH3+])cc3n2)nc1 ZINC001171322216 1384494588 /nfs/dbraw/zinc/49/45/88/1384494588.db2.gz WTOJXTBIQPSIPT-OAHLLOKOSA-N 2 1 335.455 3.254 20 0 EGADMP [NH3+]C1CCN(c2nc(NCc3cccc4sccc43)cc[nH+]2)CC1 ZINC001171377890 1384505801 /nfs/dbraw/zinc/50/58/01/1384505801.db2.gz QUBKIPSGNJLVFQ-UHFFFAOYSA-N 2 1 339.468 3.231 20 0 EGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171593654 1384573816 /nfs/dbraw/zinc/57/38/16/1384573816.db2.gz QARSPOIADKIDMC-OAGGEKHMSA-N 2 1 341.540 3.327 20 0 EGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccccc2N2CCOCC2)CC1(C)C ZINC001171619337 1384582446 /nfs/dbraw/zinc/58/24/46/1384582446.db2.gz KGDLVCQWDUBEIL-UHFFFAOYSA-N 2 1 345.531 3.264 20 0 EGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2cccnc2N2CCCC2)CC1(C)C ZINC001171623348 1384583397 /nfs/dbraw/zinc/58/33/97/1384583397.db2.gz VEXWSKHBRAWTHU-UHFFFAOYSA-N 2 1 330.520 3.423 20 0 EGADMP C[C@@H]1C[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC[C@]1(O)C(F)(F)F ZINC001171632070 1384586424 /nfs/dbraw/zinc/58/64/24/1384586424.db2.gz UUHMRTFFANWCBI-MLGOLLRUSA-N 2 1 336.442 3.273 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)CC1(C)C ZINC001171631895 1384586599 /nfs/dbraw/zinc/58/65/99/1384586599.db2.gz PCXULPTXMVUXJA-SJORKVTESA-N 2 1 341.499 3.306 20 0 EGADMP CC(=O)N1CCCC[C@]12CC[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171637384 1384588238 /nfs/dbraw/zinc/58/82/38/1384588238.db2.gz LUGJVSNWFUZZEP-HXUWFJFHSA-N 2 1 335.536 3.115 20 0 EGADMP C[NH+]1C(C)(C)CC(N2CC([NH+]3CCC(F)(F)CC3)C2)CC1(C)C ZINC001171639293 1384588525 /nfs/dbraw/zinc/58/85/25/1384588525.db2.gz DIFAPXXKFFWOCF-UHFFFAOYSA-N 2 1 329.479 3.053 20 0 EGADMP Cc1ccnc(N2CC[NH+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)c1 ZINC001171639478 1384589098 /nfs/dbraw/zinc/58/90/98/1384589098.db2.gz LMQGERBAVBJPFR-UHFFFAOYSA-N 2 1 330.520 3.163 20 0 EGADMP COc1cc(O[C@H]2CC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)ccn1 ZINC001171641703 1384589760 /nfs/dbraw/zinc/58/97/60/1384589760.db2.gz UHTMLKKVYAGQCR-KRWDZBQOSA-N 2 1 347.503 3.195 20 0 EGADMP Cc1cccc(O[C@H]2CC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)n1 ZINC001171640809 1384590029 /nfs/dbraw/zinc/59/00/29/1384590029.db2.gz JNDHEOOPKYNEIH-KRWDZBQOSA-N 2 1 331.504 3.495 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001171724987 1384614743 /nfs/dbraw/zinc/61/47/43/1384614743.db2.gz BPFMNFKCNBUGMI-HNNXBMFYSA-N 2 1 339.911 3.229 20 0 EGADMP C[C@@H]1C[C@@H](N(CC[NH3+])c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC001171739214 1384621161 /nfs/dbraw/zinc/62/11/61/1384621161.db2.gz PLLASLHDHLPAOO-OXQOHEQNSA-N 2 1 327.447 3.254 20 0 EGADMP C[C@@H]1C[C@@H](N2CC3(C2)CC[NH+](CC2CC2)C3)C[N@H+]1Cc1ccccc1 ZINC001171747545 1384624524 /nfs/dbraw/zinc/62/45/24/1384624524.db2.gz BPJQLHVFCYYCAH-WIYYLYMNSA-N 2 1 339.527 3.067 20 0 EGADMP C[C@@H]1C[C@@H](N2CC3(C2)CC[N@H+](CC2CC2)C3)C[NH+]1Cc1ccccc1 ZINC001171747545 1384624525 /nfs/dbraw/zinc/62/45/25/1384624525.db2.gz BPJQLHVFCYYCAH-WIYYLYMNSA-N 2 1 339.527 3.067 20 0 EGADMP C[C@@H]1C[C@@H](N2CC3(C2)CC[N@@H+](CC2CC2)C3)C[NH+]1Cc1ccccc1 ZINC001171747545 1384624529 /nfs/dbraw/zinc/62/45/29/1384624529.db2.gz BPJQLHVFCYYCAH-WIYYLYMNSA-N 2 1 339.527 3.067 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1c(C)ccc2ccccc21 ZINC001171763296 1384628825 /nfs/dbraw/zinc/62/88/25/1384628825.db2.gz YBRQSZUFIACWEH-UHFFFAOYSA-N 2 1 341.499 3.086 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001171762981 1384628873 /nfs/dbraw/zinc/62/88/73/1384628873.db2.gz OXYPTZVQAYJANV-UHFFFAOYSA-N 2 1 347.547 3.166 20 0 EGADMP CC[NH+](CC)C1CCN([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171765814 1384629556 /nfs/dbraw/zinc/62/95/56/1384629556.db2.gz ZOMBYNNPJNZVQW-GHTZIAJQSA-N 2 1 329.532 3.456 20 0 EGADMP [NH3+]C1(c2ccccc2F)CC[NH+]([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171786226 1384635822 /nfs/dbraw/zinc/63/58/22/1384635822.db2.gz YXEIKUFDAFLTPD-HNNXBMFYSA-N 2 1 328.406 3.382 20 0 EGADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2CN)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171817988 1384649394 /nfs/dbraw/zinc/64/93/94/1384649394.db2.gz QYPNLZVJOYGSJF-VVLHAWIVSA-N 2 1 339.524 3.366 20 0 EGADMP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2C[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171817988 1384649398 /nfs/dbraw/zinc/64/93/98/1384649398.db2.gz QYPNLZVJOYGSJF-VVLHAWIVSA-N 2 1 339.524 3.366 20 0 EGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1)C(C)C ZINC001171863874 1384664453 /nfs/dbraw/zinc/66/44/53/1384664453.db2.gz HJFYZSHJZKDQGB-HXUWFJFHSA-N 2 1 345.531 3.390 20 0 EGADMP CC1(C)C[C@H]([NH2+]C[C@H](O)c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC001171963338 1384696924 /nfs/dbraw/zinc/69/69/24/1384696924.db2.gz HQSJWBVHGKKOAK-MSOLQXFVSA-N 2 1 328.456 3.346 20 0 EGADMP CC1(C)C[C@H]([NH2+]C[C@H](O)c2ccco2)CC[N@H+]1Cc1ccccc1 ZINC001171963338 1384696927 /nfs/dbraw/zinc/69/69/27/1384696927.db2.gz HQSJWBVHGKKOAK-MSOLQXFVSA-N 2 1 328.456 3.346 20 0 EGADMP COC(=O)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC001171969620 1384698436 /nfs/dbraw/zinc/69/84/36/1384698436.db2.gz VSVNAKGBIPBUHP-SFHVURJKSA-N 2 1 344.499 3.363 20 0 EGADMP CC(=O)NCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974524 1384701077 /nfs/dbraw/zinc/70/10/77/1384701077.db2.gz HLVVMGSTHIFMMO-HXUWFJFHSA-N 2 1 345.531 3.326 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977707 1384701593 /nfs/dbraw/zinc/70/15/93/1384701593.db2.gz UBWCGEMFHSZJPH-RTBURBONSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977707 1384701596 /nfs/dbraw/zinc/70/15/96/1384701596.db2.gz UBWCGEMFHSZJPH-RTBURBONSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977707 1384701600 /nfs/dbraw/zinc/70/16/00/1384701600.db2.gz UBWCGEMFHSZJPH-RTBURBONSA-N 2 1 344.499 3.315 20 0 EGADMP CC1(C)C[C@H]([NH2+]CCc2nncs2)CC[N@H+]1Cc1ccccc1 ZINC001171978558 1384702682 /nfs/dbraw/zinc/70/26/82/1384702682.db2.gz HTDJWFKFHWDQIV-MRXNPFEDSA-N 2 1 330.501 3.113 20 0 EGADMP OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068357 1384716521 /nfs/dbraw/zinc/71/65/21/1384716521.db2.gz KDUNYFIKFBKNPA-FCMAGTKHSA-N 2 1 328.500 3.323 20 0 EGADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC4(COC4)C2)C3)cc1 ZINC001172069742 1384718011 /nfs/dbraw/zinc/71/80/11/1384718011.db2.gz UHPPVUZYHJFWGJ-PMOLBWCYSA-N 2 1 326.484 3.294 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC4(COC4)C2)C3)cc1 ZINC001172069742 1384718021 /nfs/dbraw/zinc/71/80/21/1384718021.db2.gz UHPPVUZYHJFWGJ-PMOLBWCYSA-N 2 1 326.484 3.294 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CCC4(COC4)C2)C3)cc1 ZINC001172069742 1384718026 /nfs/dbraw/zinc/71/80/26/1384718026.db2.gz UHPPVUZYHJFWGJ-PMOLBWCYSA-N 2 1 326.484 3.294 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CCC4(COC4)C2)C3)cc1 ZINC001172069742 1384718031 /nfs/dbraw/zinc/71/80/31/1384718031.db2.gz UHPPVUZYHJFWGJ-PMOLBWCYSA-N 2 1 326.484 3.294 20 0 EGADMP CC1(C)OC[C@@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC001172074055 1384720681 /nfs/dbraw/zinc/72/06/81/1384720681.db2.gz TVQPEGNMIYPCSY-YSTOQKLRSA-N 2 1 344.499 3.313 20 0 EGADMP CC1(C)OCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CO1 ZINC001172073160 1384720866 /nfs/dbraw/zinc/72/08/66/1384720866.db2.gz OPMPGQLLMIQMBB-VJDPLVQDSA-N 2 1 344.499 3.313 20 0 EGADMP CC1(C)OCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC001172073160 1384720868 /nfs/dbraw/zinc/72/08/68/1384720868.db2.gz OPMPGQLLMIQMBB-VJDPLVQDSA-N 2 1 344.499 3.313 20 0 EGADMP CC1(C)OC[C@@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC001172074054 1384720899 /nfs/dbraw/zinc/72/08/99/1384720899.db2.gz TVQPEGNMIYPCSY-IYWMVGAKSA-N 2 1 344.499 3.313 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001172099470 1384727065 /nfs/dbraw/zinc/72/70/65/1384727065.db2.gz IEUKALVAAIGJBW-WKCHPHFGSA-N 2 1 327.516 3.256 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(c3ncccc3Cl)CC1)C2 ZINC001172107560 1384728130 /nfs/dbraw/zinc/72/81/30/1384728130.db2.gz ZYWZNIFXUSRRQI-OSYLJGHBSA-N 2 1 348.922 3.309 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(c3ncccc3Cl)CC1)C2 ZINC001172107560 1384728134 /nfs/dbraw/zinc/72/81/34/1384728134.db2.gz ZYWZNIFXUSRRQI-OSYLJGHBSA-N 2 1 348.922 3.309 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N(c1ccccn1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172110678 1384729010 /nfs/dbraw/zinc/72/90/10/1384729010.db2.gz LLUAMPTUJWFHNS-YCEIQTCASA-N 2 1 328.504 3.173 20 0 EGADMP Cc1ccnc(C2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCOCC2)c1 ZINC001172109583 1384729539 /nfs/dbraw/zinc/72/95/39/1384729539.db2.gz FJFNJYQCQXHINF-REPLKXPHSA-N 2 1 343.515 3.043 20 0 EGADMP COc1ccc2c(c1)SC[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172114764 1384731268 /nfs/dbraw/zinc/73/12/68/1384731268.db2.gz SVQAEWRPFRCCKP-WCXIOVBPSA-N 2 1 332.513 3.317 20 0 EGADMP COc1ccc2c(c1)SC[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172114764 1384731271 /nfs/dbraw/zinc/73/12/71/1384731271.db2.gz SVQAEWRPFRCCKP-WCXIOVBPSA-N 2 1 332.513 3.317 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1CC[NH+](C[C@H]3CC=CCC3)CC1)C2 ZINC001172113572 1384731444 /nfs/dbraw/zinc/73/14/44/1384731444.db2.gz KMWUYYYXDKJPTP-ZIBCJSCZSA-N 2 1 331.548 3.412 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(CNC(=O)OC(C)(C)C)CCC1)C2 ZINC001172116231 1384732348 /nfs/dbraw/zinc/73/23/48/1384732348.db2.gz YRYRHOPVODIHJR-MUJYYYPQSA-N 2 1 337.508 3.039 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(CNC(=O)OC(C)(C)C)CCC1)C2 ZINC001172116231 1384732349 /nfs/dbraw/zinc/73/23/49/1384732349.db2.gz YRYRHOPVODIHJR-MUJYYYPQSA-N 2 1 337.508 3.039 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124943 1384733866 /nfs/dbraw/zinc/73/38/66/1384733866.db2.gz NCTIWWPYVROBMY-AYWYSENESA-N 2 1 327.516 3.208 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124943 1384733870 /nfs/dbraw/zinc/73/38/70/1384733870.db2.gz NCTIWWPYVROBMY-AYWYSENESA-N 2 1 327.516 3.208 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124943 1384733871 /nfs/dbraw/zinc/73/38/71/1384733871.db2.gz NCTIWWPYVROBMY-AYWYSENESA-N 2 1 327.516 3.208 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H](Oc3cc(F)ccc3F)C1)C2 ZINC001172122741 1384735038 /nfs/dbraw/zinc/73/50/38/1384735038.db2.gz UAILMEHCEXHWRC-YVSFHVDLSA-N 2 1 336.426 3.433 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H](Oc3cc(F)ccc3F)C1)C2 ZINC001172122741 1384735040 /nfs/dbraw/zinc/73/50/40/1384735040.db2.gz UAILMEHCEXHWRC-YVSFHVDLSA-N 2 1 336.426 3.433 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H](Oc3cc(F)ccc3F)C1)C2 ZINC001172122741 1384735042 /nfs/dbraw/zinc/73/50/42/1384735042.db2.gz UAILMEHCEXHWRC-YVSFHVDLSA-N 2 1 336.426 3.433 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124946 1384735082 /nfs/dbraw/zinc/73/50/82/1384735082.db2.gz NCTIWWPYVROBMY-MJUUVYJYSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccc2)CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124946 1384735084 /nfs/dbraw/zinc/73/50/84/1384735084.db2.gz NCTIWWPYVROBMY-MJUUVYJYSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccc2)CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124946 1384735085 /nfs/dbraw/zinc/73/50/85/1384735085.db2.gz NCTIWWPYVROBMY-MJUUVYJYSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC001172127591 1384735364 /nfs/dbraw/zinc/73/53/64/1384735364.db2.gz JOPULIMOXMAXGE-WJMWBRGCSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001172127591 1384735369 /nfs/dbraw/zinc/73/53/69/1384735369.db2.gz JOPULIMOXMAXGE-WJMWBRGCSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001172127591 1384735373 /nfs/dbraw/zinc/73/53/73/1384735373.db2.gz JOPULIMOXMAXGE-WJMWBRGCSA-N 2 1 327.516 3.208 20 0 EGADMP COCCC[NH+]1CCC([NH+]2CCC(c3ccc(O)cc3)CC2)CC1 ZINC001172254513 1384756876 /nfs/dbraw/zinc/75/68/76/1384756876.db2.gz PBHUEQXLNBTOTE-UHFFFAOYSA-N 2 1 332.488 3.073 20 0 EGADMP CCCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001317005315 1384766363 /nfs/dbraw/zinc/76/63/63/1384766363.db2.gz HZMJJHJXYZLYDU-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172379914 1384781667 /nfs/dbraw/zinc/78/16/67/1384781667.db2.gz UHIZKGNUVRKQLQ-XGAGZNTDSA-N 2 1 334.548 3.491 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172379914 1384781671 /nfs/dbraw/zinc/78/16/71/1384781671.db2.gz UHIZKGNUVRKQLQ-XGAGZNTDSA-N 2 1 334.548 3.491 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172379914 1384781676 /nfs/dbraw/zinc/78/16/76/1384781676.db2.gz UHIZKGNUVRKQLQ-XGAGZNTDSA-N 2 1 334.548 3.491 20 0 EGADMP CC(C)OCC[C@@H](C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172447003 1384794145 /nfs/dbraw/zinc/79/41/45/1384794145.db2.gz ORFIQYCTABADNC-SJORKVTESA-N 2 1 326.525 3.202 20 0 EGADMP C[NH+]1CCC(C[NH+]2CCN([C@@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC001172568026 1384812819 /nfs/dbraw/zinc/81/28/19/1384812819.db2.gz JQNAUFGPGLDSEN-FGZHOGPDSA-N 2 1 341.543 3.282 20 0 EGADMP CCCC[C@@H]1C[C@@H]([NH2+]C2(C[NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001172632378 1384823149 /nfs/dbraw/zinc/82/31/49/1384823149.db2.gz HRAWONHNADKRPH-LSDHHAIUSA-N 2 1 325.497 3.026 20 0 EGADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001172632869 1384823561 /nfs/dbraw/zinc/82/35/61/1384823561.db2.gz KCJPAIWMGKQJDS-LPHOPBHVSA-N 2 1 336.520 3.447 20 0 EGADMP CC1(C)CC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC(C)(C)O1 ZINC001172643992 1384825596 /nfs/dbraw/zinc/82/55/96/1384825596.db2.gz IPJOKVYSJSUIKO-UHFFFAOYSA-N 2 1 346.515 3.345 20 0 EGADMP COC(=O)[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001172780008 1384850102 /nfs/dbraw/zinc/85/01/02/1384850102.db2.gz QUEJFNCITYGZQE-OTWHNJEPSA-N 2 1 336.520 3.353 20 0 EGADMP COC(=O)[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001172780008 1384850107 /nfs/dbraw/zinc/85/01/07/1384850107.db2.gz QUEJFNCITYGZQE-OTWHNJEPSA-N 2 1 336.520 3.353 20 0 EGADMP C[NH+](C)CCC[N@H+](CCC[NH3+])C1CCC(Cc2ccccc2)CC1 ZINC001172819360 1384858431 /nfs/dbraw/zinc/85/84/31/1384858431.db2.gz GUOSCIYNYOQBND-UHFFFAOYSA-N 3 1 331.548 3.390 20 0 EGADMP C[NH+](C)CCC[N@@H+](CCC[NH3+])C1CCC(Cc2ccccc2)CC1 ZINC001172819360 1384858434 /nfs/dbraw/zinc/85/84/34/1384858434.db2.gz GUOSCIYNYOQBND-UHFFFAOYSA-N 3 1 331.548 3.390 20 0 EGADMP CC(C)(C)OC(=O)C[NH+]1CCC(n2ccc3cc(C[NH3+])ccc32)CC1 ZINC001172884293 1384872705 /nfs/dbraw/zinc/87/27/05/1384872705.db2.gz RREBGWZSSCFVQA-UHFFFAOYSA-N 2 1 343.471 3.079 20 0 EGADMP CCCOC1CCC([NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)CC1 ZINC001173100758 1384914628 /nfs/dbraw/zinc/91/46/28/1384914628.db2.gz SWZZMDRDGJPCQI-UHFFFAOYSA-N 2 1 338.536 3.299 20 0 EGADMP CCOC[C@H]1C[N@H+](C2CCC([NH+](CC)CC)CC2)Cc2c1cnn2C ZINC001173110968 1384917243 /nfs/dbraw/zinc/91/72/43/1384917243.db2.gz LTCFEJPQUPRUSR-WWDZGPRUSA-N 2 1 348.535 3.009 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2Cc3cnn(C4CCOCC4)c3C2)CC1 ZINC001173113434 1384917722 /nfs/dbraw/zinc/91/77/22/1384917722.db2.gz QECXBZGAPVGDTG-UHFFFAOYSA-N 2 1 346.519 3.203 20 0 EGADMP CC[N@H+]1CC[C@@H](n2cc(CC[NH3+])c3cc(OC(F)(F)F)ccc32)C1 ZINC001173355214 1384963590 /nfs/dbraw/zinc/96/35/90/1384963590.db2.gz NYCYNFWCKOASIQ-CYBMUJFWSA-N 2 1 341.377 3.308 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001173410541 1384967810 /nfs/dbraw/zinc/96/78/10/1384967810.db2.gz JXPTWGSOQYBLKR-KRWDZBQOSA-N 2 1 349.906 3.019 20 0 EGADMP COC(=O)CCCC[C@@H](C)[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001173451251 1384973219 /nfs/dbraw/zinc/97/32/19/1384973219.db2.gz IXEBHUVHXLMDNI-OAHLLOKOSA-N 2 1 333.476 3.051 20 0 EGADMP CCOC(=O)[C@H]1CC12CCC([NH2+][C@H]1CC[N@@H+](C(CC)CC)C1)CC2 ZINC001173605817 1384986258 /nfs/dbraw/zinc/98/62/58/1384986258.db2.gz GYYVMTJOKHGFSV-CAZWYBIWSA-N 2 1 336.520 3.351 20 0 EGADMP CCOC(=O)[C@H]1CC12CCC([NH2+][C@H]1CC[N@H+](C(CC)CC)C1)CC2 ZINC001173605817 1384986260 /nfs/dbraw/zinc/98/62/60/1384986260.db2.gz GYYVMTJOKHGFSV-CAZWYBIWSA-N 2 1 336.520 3.351 20 0 EGADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C)CC2 ZINC001173614320 1384988685 /nfs/dbraw/zinc/98/86/85/1384988685.db2.gz SUGIQIQWKKLVDT-GEONRVCZSA-N 2 1 336.520 3.207 20 0 EGADMP C[C@@H]1CC([N@@H+](C)CCC[NH+](C)C)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173679379 1385002356 /nfs/dbraw/zinc/00/23/56/1385002356.db2.gz HYJLHTIMCDDNOA-HUUCEWRRSA-N 2 1 327.513 3.046 20 0 EGADMP C[NH+](C)CCC[N@H+](CCC[NH3+])C1CCC2(CCc3ccccc32)CC1 ZINC001173688288 1385004386 /nfs/dbraw/zinc/00/43/86/1385004386.db2.gz ANHZAWMXOUAXBZ-UHFFFAOYSA-N 3 1 343.559 3.416 20 0 EGADMP C[NH+](C)CCC[N@@H+](CCC[NH3+])C1CCC2(CCc3ccccc32)CC1 ZINC001173688288 1385004390 /nfs/dbraw/zinc/00/43/90/1385004390.db2.gz ANHZAWMXOUAXBZ-UHFFFAOYSA-N 3 1 343.559 3.416 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccccc1F ZINC001317306501 1385072929 /nfs/dbraw/zinc/07/29/29/1385072929.db2.gz ZIYWXQGFFOMTDU-CVEARBPZSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC(C)C)C1 ZINC001174880771 1385164064 /nfs/dbraw/zinc/16/40/64/1385164064.db2.gz HEWBUMXLQALGEJ-QZTJIDSGSA-N 2 1 325.541 3.029 20 0 EGADMP C[C@@H](CCCC[NH2+]CCF)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001174880385 1385164164 /nfs/dbraw/zinc/16/41/64/1385164164.db2.gz DJOFCTKAPNCCCS-WMZOPIPTSA-N 2 1 341.515 3.018 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175265112 1385234499 /nfs/dbraw/zinc/23/44/99/1385234499.db2.gz XIDAOOSRQCGIIT-KAGICYHLSA-N 2 1 337.552 3.339 20 0 EGADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001175297298 1385242293 /nfs/dbraw/zinc/24/22/93/1385242293.db2.gz SZIOPBBSZATPNW-IBGZPJMESA-N 2 1 347.547 3.082 20 0 EGADMP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C[C@@H](O)c2cccc(F)c2)CC1 ZINC001175353193 1385263394 /nfs/dbraw/zinc/26/33/94/1385263394.db2.gz VAXHGUSLOYSPRS-VQTJNVASSA-N 2 1 334.479 3.446 20 0 EGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@@H](O)c2cccc(F)c2)CC1 ZINC001175353193 1385263399 /nfs/dbraw/zinc/26/33/99/1385263399.db2.gz VAXHGUSLOYSPRS-VQTJNVASSA-N 2 1 334.479 3.446 20 0 EGADMP COc1cccc(CN2CCN(C[C@H]3CCCC[N@H+]3C(C)C)CC2)c1 ZINC001175492177 1385309678 /nfs/dbraw/zinc/30/96/78/1385309678.db2.gz NBUVQOQNQIVPJL-HXUWFJFHSA-N 2 1 345.531 3.076 20 0 EGADMP COc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C(C)C)CC2)c1 ZINC001175492177 1385309683 /nfs/dbraw/zinc/30/96/83/1385309683.db2.gz NBUVQOQNQIVPJL-HXUWFJFHSA-N 2 1 345.531 3.076 20 0 EGADMP COc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C(C)C)CC2)c1 ZINC001175492177 1385309687 /nfs/dbraw/zinc/30/96/87/1385309687.db2.gz NBUVQOQNQIVPJL-HXUWFJFHSA-N 2 1 345.531 3.076 20 0 EGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175529501 1385322617 /nfs/dbraw/zinc/32/26/17/1385322617.db2.gz XLVHOWMGYBQXGJ-QGZVFWFLSA-N 2 1 336.524 3.461 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001175566781 1385335194 /nfs/dbraw/zinc/33/51/94/1385335194.db2.gz ZWCDZOJUAGHSNL-QGZVFWFLSA-N 2 1 348.535 3.461 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001175573592 1385336308 /nfs/dbraw/zinc/33/63/08/1385336308.db2.gz OZSKXRXPVLTUNM-RTBURBONSA-N 2 1 337.552 3.480 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001317623115 1385357881 /nfs/dbraw/zinc/35/78/81/1385357881.db2.gz KVBAEUKQBBWBMD-SJLPKXTDSA-N 2 1 349.494 3.057 20 0 EGADMP Cc1cc(C)[nH+]c(Nc2ccc(C(=O)NCCC[NH+](C)C)cc2)c1 ZINC001175820117 1385413741 /nfs/dbraw/zinc/41/37/41/1385413741.db2.gz PQVQLRITSYQEEJ-UHFFFAOYSA-N 2 1 326.444 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]C[C@H](C)CC(C)C ZINC001176024520 1385464222 /nfs/dbraw/zinc/46/42/22/1385464222.db2.gz PEVATYLTQSLVDC-QZTJIDSGSA-N 2 1 327.557 3.275 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC001176147365 1385495712 /nfs/dbraw/zinc/49/57/12/1385495712.db2.gz LTXOYKYLLPQSSO-QGZVFWFLSA-N 2 1 348.878 3.092 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176164640 1385500005 /nfs/dbraw/zinc/50/00/05/1385500005.db2.gz CTXVNVQQFVJXPM-HKUYNNGSSA-N 2 1 337.552 3.173 20 0 EGADMP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176165217 1385500720 /nfs/dbraw/zinc/50/07/20/1385500720.db2.gz JKQNHZFPDNHIFD-ZWKOTPCHSA-N 2 1 325.541 3.173 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+]([C@@H](CC)c2ccc(F)cc2)C1)[NH+](C)C ZINC001317945086 1385580893 /nfs/dbraw/zinc/58/08/93/1385580893.db2.gz WOCKXFZPJOBODU-QYZOEREBSA-N 2 1 349.494 3.198 20 0 EGADMP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176592402 1385635808 /nfs/dbraw/zinc/63/58/08/1385635808.db2.gz ZDQMVRUTLNILKH-JTGQJZMRSA-N 2 1 334.508 3.203 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C ZINC001176758809 1385685511 /nfs/dbraw/zinc/68/55/11/1385685511.db2.gz FMLPEENYDYYSON-ZWKOTPCHSA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001177016791 1385773135 /nfs/dbraw/zinc/77/31/35/1385773135.db2.gz RHJGWOWSPQADHZ-PKOBYXMFSA-N 2 1 333.520 3.067 20 0 EGADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC001177021409 1385775694 /nfs/dbraw/zinc/77/56/94/1385775694.db2.gz VKCGXINLYJUTKO-YLJYHZDGSA-N 2 1 339.483 3.146 20 0 EGADMP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001177317323 1385912338 /nfs/dbraw/zinc/91/23/38/1385912338.db2.gz UNGQFFBBLDXZRZ-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1C ZINC001177484333 1385974179 /nfs/dbraw/zinc/97/41/79/1385974179.db2.gz BIOOVLSYJLPGNB-KRWDZBQOSA-N 2 1 348.535 3.236 20 0 EGADMP c1[nH]nc2c1cccc2C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001177668866 1386019068 /nfs/dbraw/zinc/01/90/68/1386019068.db2.gz HOPDSZGCVIOAFW-GOSISDBHSA-N 2 1 334.467 3.217 20 0 EGADMP Clc1ccc2ncc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)n2c1 ZINC001177948431 1386092484 /nfs/dbraw/zinc/09/24/84/1386092484.db2.gz IOYQQCAASBZBLZ-UHFFFAOYSA-N 2 1 332.879 3.484 20 0 EGADMP CC[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001178045635 1386115462 /nfs/dbraw/zinc/11/54/62/1386115462.db2.gz QLSYBJSEIGQTDA-PMACEKPBSA-N 2 1 345.531 3.498 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001178468842 1386227401 /nfs/dbraw/zinc/22/74/01/1386227401.db2.gz XEZNAJZAIBKOBR-HXUWFJFHSA-N 2 1 345.531 3.326 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178484613 1386231553 /nfs/dbraw/zinc/23/15/53/1386231553.db2.gz WWRDBEYZBZQJSR-RBUKOAKNSA-N 2 1 337.552 3.173 20 0 EGADMP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178522256 1386241147 /nfs/dbraw/zinc/24/11/47/1386241147.db2.gz JVYQNZMBZJITEC-SJLPKXTDSA-N 2 1 325.541 3.029 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001178729443 1386291738 /nfs/dbraw/zinc/29/17/38/1386291738.db2.gz YDFNZLDZCMMLML-LJQANCHMSA-N 2 1 337.552 3.317 20 0 EGADMP Cc1ccccc1C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178826983 1386319169 /nfs/dbraw/zinc/31/91/69/1386319169.db2.gz BYFDKQUPLISGPI-FQEVSTJZSA-N 2 1 345.531 3.246 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001178827358 1386319190 /nfs/dbraw/zinc/31/91/90/1386319190.db2.gz HEMLPQCVPQJBBL-IBGZPJMESA-N 2 1 335.536 3.237 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccccc1F ZINC001178827144 1386319554 /nfs/dbraw/zinc/31/95/54/1386319554.db2.gz FFCPJFJVNGGWER-IBGZPJMESA-N 2 1 349.494 3.076 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001178832503 1386321566 /nfs/dbraw/zinc/32/15/66/1386321566.db2.gz HKMJEDPOFKKSSO-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178890025 1386339797 /nfs/dbraw/zinc/33/97/97/1386339797.db2.gz FOWVUAMZQHJLJI-TYTUHHLSSA-N 2 1 335.536 3.185 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCCCCC[NH2+]CCCF ZINC001178903181 1386343951 /nfs/dbraw/zinc/34/39/51/1386343951.db2.gz VICSTMWNXYRHBA-UHFFFAOYSA-N 2 1 343.531 3.265 20 0 EGADMP CC[C@H](F)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001178920672 1386349302 /nfs/dbraw/zinc/34/93/02/1386349302.db2.gz DMMVUIZIMICRHE-ROUUACIJSA-N 2 1 343.531 3.121 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001178925126 1386350721 /nfs/dbraw/zinc/35/07/21/1386350721.db2.gz CCFSENVVGVATAL-UHOSZYNNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1ccc(F)cc1 ZINC001319999840 1386445630 /nfs/dbraw/zinc/44/56/30/1386445630.db2.gz MDEBMUGBTLFQDL-QFBILLFUSA-N 2 1 349.494 3.150 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001319999840 1386445632 /nfs/dbraw/zinc/44/56/32/1386445632.db2.gz MDEBMUGBTLFQDL-QFBILLFUSA-N 2 1 349.494 3.150 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001319999840 1386445634 /nfs/dbraw/zinc/44/56/34/1386445634.db2.gz MDEBMUGBTLFQDL-QFBILLFUSA-N 2 1 349.494 3.150 20 0 EGADMP CCC(CC)C[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001179587295 1386524101 /nfs/dbraw/zinc/52/41/01/1386524101.db2.gz YAJHMJFXQTUIPX-QGZVFWFLSA-N 2 1 325.541 3.031 20 0 EGADMP CCCC[NH2+]CCCCCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001179589899 1386524802 /nfs/dbraw/zinc/52/48/02/1386524802.db2.gz DXFSUGLOZJKWPG-LJQANCHMSA-N 2 1 343.531 3.265 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001179590709 1386525643 /nfs/dbraw/zinc/52/56/43/1386525643.db2.gz KZFUFVDEVPHVQK-PKOBYXMFSA-N 2 1 337.552 3.031 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)NCCCCCC[NH2+]Cc1ccsc1 ZINC001179777359 1386582043 /nfs/dbraw/zinc/58/20/43/1386582043.db2.gz VFFOGWIZBWUZPG-HNNXBMFYSA-N 2 1 348.516 3.116 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H]1C ZINC001179979173 1386656535 /nfs/dbraw/zinc/65/65/35/1386656535.db2.gz SXBXTLUKMYPKPD-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP COC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001320709735 1386698380 /nfs/dbraw/zinc/69/83/80/1386698380.db2.gz XELKOWUZFYPCAV-ROUUACIJSA-N 2 1 332.488 3.076 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccsc1 ZINC001180121009 1386702996 /nfs/dbraw/zinc/70/29/96/1386702996.db2.gz GIORPSRSWMJSQP-UHFFFAOYSA-N 2 1 339.549 3.246 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001180124518 1386704760 /nfs/dbraw/zinc/70/47/60/1386704760.db2.gz YUSIHCYMDHHTDL-HXUWFJFHSA-N 2 1 345.531 3.282 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001180264822 1386749962 /nfs/dbraw/zinc/74/99/62/1386749962.db2.gz LJVWOZNCFBMCSG-QUCCMNQESA-N 2 1 345.531 3.274 20 0 EGADMP COc1ccc(C(C)(C)C[NH+]2CCC([NH2+]C(C)C)CC2)cc1OC ZINC001180289008 1386756562 /nfs/dbraw/zinc/75/65/62/1386756562.db2.gz PJEAGPFXJPFHFV-UHFFFAOYSA-N 2 1 334.504 3.444 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001180369517 1386776122 /nfs/dbraw/zinc/77/61/22/1386776122.db2.gz JVQGRDRTVGOMEW-UHFFFAOYSA-N 2 1 325.541 3.173 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc2)cn1 ZINC001321028311 1386787953 /nfs/dbraw/zinc/78/79/53/1386787953.db2.gz AAGKKRRLAUXCMG-LJQANCHMSA-N 2 1 338.499 3.395 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@]1(C)C[NH2+]CC1CCCCCC1 ZINC001180898949 1386893686 /nfs/dbraw/zinc/89/36/86/1386893686.db2.gz HLSOIZQQTMVYED-YFVAEKQCSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@]1(C)C[NH2+]CCC1=CCCCC1 ZINC001180898928 1386894042 /nfs/dbraw/zinc/89/40/42/1386894042.db2.gz GVSJDMCQAIPDDE-YFVAEKQCSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001182124997 1387108866 /nfs/dbraw/zinc/10/88/66/1387108866.db2.gz IPUXSMBUZYGDPT-JCTQASJRSA-N 2 1 346.519 3.012 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC(C)(C)C)C1 ZINC001182125023 1387108908 /nfs/dbraw/zinc/10/89/08/1387108908.db2.gz JWOJYDVHVXQAPR-OXQOHEQNSA-N 2 1 348.535 3.092 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N2CCC([N@@H+](C)C/C=C/Cl)CC2)cc1 ZINC001331059164 1389615333 /nfs/dbraw/zinc/61/53/33/1389615333.db2.gz JYLHZUMFFLHHJF-NYYWCZLTSA-N 2 1 349.906 3.037 20 0 EGADMP Clc1ccc(-n2cc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cn2)cc1 ZINC001332358191 1390095915 /nfs/dbraw/zinc/09/59/15/1390095915.db2.gz GGMBURNHDQZZOA-UHFFFAOYSA-N 2 1 344.890 3.491 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001332885853 1390209390 /nfs/dbraw/zinc/20/93/90/1390209390.db2.gz SBOMXYFYTOMEBD-GOSISDBHSA-N 2 1 347.503 3.219 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC001340131005 1390233232 /nfs/dbraw/zinc/23/32/32/1390233232.db2.gz FXVYDFUFYLCAQL-RMJJICAUSA-N 2 1 342.483 3.286 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC001340131005 1390233233 /nfs/dbraw/zinc/23/32/33/1390233233.db2.gz FXVYDFUFYLCAQL-RMJJICAUSA-N 2 1 342.483 3.286 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CCCCC2CC[NH2+]CC2)C1 ZINC001340173966 1390242241 /nfs/dbraw/zinc/24/22/41/1390242241.db2.gz VXGYCKJOFFDFEO-GOSISDBHSA-N 2 1 337.552 3.175 20 0 EGADMP FC(F)(F)c1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC001333600012 1390350111 /nfs/dbraw/zinc/35/01/11/1390350111.db2.gz YZXXADKEMZKLFV-LSDHHAIUSA-N 2 1 327.394 3.358 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cn4cc(Cl)ccc4n3)C[C@@H]2C1 ZINC001334358011 1390524040 /nfs/dbraw/zinc/52/40/40/1390524040.db2.gz WEJBFPSRPILIDS-GRDNDAEWSA-N 2 1 332.879 3.150 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cn4cc(Cl)ccc4n3)C[C@H]2C1 ZINC001334358008 1390524281 /nfs/dbraw/zinc/52/42/81/1390524281.db2.gz WEJBFPSRPILIDS-CKEIUWERSA-N 2 1 332.879 3.150 20 0 EGADMP Cc1cc(N)nc(NCc2ccccc2C[N@@H+](C)Cc2ccco2)[nH+]1 ZINC001334933932 1390623472 /nfs/dbraw/zinc/62/34/72/1390623472.db2.gz AQANSRGHROYBGQ-UHFFFAOYSA-N 2 1 337.427 3.204 20 0 EGADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001335582545 1390706130 /nfs/dbraw/zinc/70/61/30/1390706130.db2.gz MAUAGWJFRZQCQX-OFQRWUPVSA-N 2 1 346.906 3.389 20 0 EGADMP Cc1c(C(=O)OC[C@H]2CCC[N@H+]2Cc2ccco2)ccc2c[nH+]cn21 ZINC001343351940 1390708797 /nfs/dbraw/zinc/70/87/97/1390708797.db2.gz SNVYXCLOMKSPQR-MRXNPFEDSA-N 2 1 339.395 3.057 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)s2)cn1 ZINC001345955117 1390897136 /nfs/dbraw/zinc/89/71/36/1390897136.db2.gz BRXRUNJOMHCEQV-UHFFFAOYSA-N 2 1 330.501 3.114 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](C)c1ccccc1C ZINC001488685514 1391701881 /nfs/dbraw/zinc/70/18/81/1391701881.db2.gz KTLAYRLNJNQNEE-OALUTQOASA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)c1ccccc1C ZINC001488685514 1391701882 /nfs/dbraw/zinc/70/18/82/1391701882.db2.gz KTLAYRLNJNQNEE-OALUTQOASA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)c1ccccc1C ZINC001488685514 1391701886 /nfs/dbraw/zinc/70/18/86/1391701886.db2.gz KTLAYRLNJNQNEE-OALUTQOASA-N 2 1 345.531 3.321 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001698848274 1406549947 /nfs/dbraw/zinc/54/99/47/1406549947.db2.gz OIAUEFGOBXRWQA-KRWDZBQOSA-N 2 1 348.535 3.379 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC1CCCCCC1)C1CC1 ZINC001480039845 1392546024 /nfs/dbraw/zinc/54/60/24/1392546024.db2.gz IAIDDHGJNUIGGO-UXHICEINSA-N 2 1 349.563 3.316 20 0 EGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001480733228 1392897292 /nfs/dbraw/zinc/89/72/92/1392897292.db2.gz KEVXKGHXSWYMQD-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)Cc1ccc(C)cc1 ZINC001480985448 1393068140 /nfs/dbraw/zinc/06/81/40/1393068140.db2.gz MVUVVJCIZKHZOL-FQEVSTJZSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)Cc1ccc(C)cc1 ZINC001480985448 1393068146 /nfs/dbraw/zinc/06/81/46/1393068146.db2.gz MVUVVJCIZKHZOL-FQEVSTJZSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)Cc1ccc(C)cc1 ZINC001480985448 1393068148 /nfs/dbraw/zinc/06/81/48/1393068148.db2.gz MVUVVJCIZKHZOL-FQEVSTJZSA-N 2 1 345.531 3.054 20 0 EGADMP CC[N@H+](C/C=C\c1ccccc1)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001481019528 1393096183 /nfs/dbraw/zinc/09/61/83/1393096183.db2.gz WFELMLDXFGTCEZ-KTZABMDBSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C/C=C\c1ccccc1)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001481019528 1393096186 /nfs/dbraw/zinc/09/61/86/1393096186.db2.gz WFELMLDXFGTCEZ-KTZABMDBSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C/C=C\c1ccccc1)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001481019528 1393096189 /nfs/dbraw/zinc/09/61/89/1393096189.db2.gz WFELMLDXFGTCEZ-KTZABMDBSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC)c1ccc(F)cc1 ZINC001481319731 1393163048 /nfs/dbraw/zinc/16/30/48/1393163048.db2.gz LXMZJISJUAWDFQ-RBUKOAKNSA-N 2 1 349.494 3.199 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001698892279 1406624258 /nfs/dbraw/zinc/62/42/58/1406624258.db2.gz KJDCKMGSFVDMQA-LPHOPBHVSA-N 2 1 348.535 3.235 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001490561152 1394261718 /nfs/dbraw/zinc/26/17/18/1394261718.db2.gz VMESYGIGSXYGSN-YJBOKZPZSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001490561152 1394261724 /nfs/dbraw/zinc/26/17/24/1394261724.db2.gz VMESYGIGSXYGSN-YJBOKZPZSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@@H](c1cccc(F)c1)[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001490561152 1394261728 /nfs/dbraw/zinc/26/17/28/1394261728.db2.gz VMESYGIGSXYGSN-YJBOKZPZSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@@H](c1cccc(F)c1)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001490561152 1394261739 /nfs/dbraw/zinc/26/17/39/1394261739.db2.gz VMESYGIGSXYGSN-YJBOKZPZSA-N 2 1 349.494 3.055 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001481424062 1394280708 /nfs/dbraw/zinc/28/07/08/1394280708.db2.gz NGYYRKGQLLSSDE-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001481424062 1394280715 /nfs/dbraw/zinc/28/07/15/1394280715.db2.gz NGYYRKGQLLSSDE-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001481424062 1394280721 /nfs/dbraw/zinc/28/07/21/1394280721.db2.gz NGYYRKGQLLSSDE-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001490761887 1394323375 /nfs/dbraw/zinc/32/33/75/1394323375.db2.gz FBGPJPKVTJXOOP-QGZVFWFLSA-N 2 1 342.487 3.227 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)CCC[NH+](C)C)C1 ZINC001481510292 1394358298 /nfs/dbraw/zinc/35/82/98/1394358298.db2.gz YUTPUZRJGULTEF-HXUWFJFHSA-N 2 1 345.531 3.230 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001481538137 1394398150 /nfs/dbraw/zinc/39/81/50/1394398150.db2.gz NZLIHXIWNLOERC-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001481538137 1394398153 /nfs/dbraw/zinc/39/81/53/1394398153.db2.gz NZLIHXIWNLOERC-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001491258244 1394494126 /nfs/dbraw/zinc/49/41/26/1394494126.db2.gz PXSRPCOFCJKTOU-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)[C@H](C)C1 ZINC001482433136 1394993992 /nfs/dbraw/zinc/99/39/92/1394993992.db2.gz JDESKHIKYMNGHO-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CC1CCCCC1 ZINC001482497136 1395048885 /nfs/dbraw/zinc/04/88/85/1395048885.db2.gz BSDQPSLIJIYBLN-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)(C(=O)NC[C@@]1(C)CCC[N@@H+](CCC2CC2)C1)[NH+]1CCCCC1 ZINC001484158638 1395293154 /nfs/dbraw/zinc/29/31/54/1395293154.db2.gz GCUUDPDUIJHFMD-OAQYLSRUSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[NH+](CC3CCC3)C2)C1 ZINC001484770583 1395529988 /nfs/dbraw/zinc/52/99/88/1395529988.db2.gz GZZAUYGEOMZYKP-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](CC3CCC3)C2)C1 ZINC001484770583 1395529990 /nfs/dbraw/zinc/52/99/90/1395529990.db2.gz GZZAUYGEOMZYKP-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC001484770583 1395529995 /nfs/dbraw/zinc/52/99/95/1395529995.db2.gz GZZAUYGEOMZYKP-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C/C=C\c2ccccc2)[C@H](C)C1 ZINC001484982963 1395623768 /nfs/dbraw/zinc/62/37/68/1395623768.db2.gz USJRQWZREIYUAC-NCJCTJFTSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C/C=C\c2ccccc2)[C@H](C)C1 ZINC001484982963 1395623770 /nfs/dbraw/zinc/62/37/70/1395623770.db2.gz USJRQWZREIYUAC-NCJCTJFTSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)[C@H](C)C1 ZINC001484982963 1395623774 /nfs/dbraw/zinc/62/37/74/1395623774.db2.gz USJRQWZREIYUAC-NCJCTJFTSA-N 2 1 343.515 3.011 20 0 EGADMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001485311468 1395789312 /nfs/dbraw/zinc/78/93/12/1395789312.db2.gz AAFNQLKSBNHUJN-MRXNPFEDSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001485480784 1395962789 /nfs/dbraw/zinc/96/27/89/1395962789.db2.gz XYOJSYAIIKMVEP-MOPGFXCFSA-N 2 1 339.568 3.370 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)CC[N@H+](C)CC1CCCCCC1 ZINC001698999801 1406805758 /nfs/dbraw/zinc/80/57/58/1406805758.db2.gz UCGIZDLJEMQKSP-UHFFFAOYSA-N 2 1 348.535 3.332 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)CC[N@@H+](C)CC1CCCCCC1 ZINC001698999801 1406805763 /nfs/dbraw/zinc/80/57/63/1406805763.db2.gz UCGIZDLJEMQKSP-UHFFFAOYSA-N 2 1 348.535 3.332 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2CC)C1 ZINC001494862216 1396501715 /nfs/dbraw/zinc/50/17/15/1396501715.db2.gz DHSRMROXGKJLOD-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2CC)C1 ZINC001494862216 1396501717 /nfs/dbraw/zinc/50/17/17/1396501717.db2.gz DHSRMROXGKJLOD-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2CC)C1 ZINC001494862216 1396501720 /nfs/dbraw/zinc/50/17/20/1396501720.db2.gz DHSRMROXGKJLOD-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@@H]21 ZINC001699008412 1406833984 /nfs/dbraw/zinc/83/39/84/1406833984.db2.gz IVOZULYAMQBNQA-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)CC[C@@H]21 ZINC001699008412 1406833990 /nfs/dbraw/zinc/83/39/90/1406833990.db2.gz IVOZULYAMQBNQA-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)CC[C@@H]21 ZINC001699008412 1406833995 /nfs/dbraw/zinc/83/39/95/1406833995.db2.gz IVOZULYAMQBNQA-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H](C[NH2+]Cc1ccc(C2CCCC2)cc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001497798029 1396853992 /nfs/dbraw/zinc/85/39/92/1396853992.db2.gz QBPYCWRSIUGHSH-OXQOHEQNSA-N 2 1 343.515 3.033 20 0 EGADMP Cc1c(C(=O)NC[C@@H](C)[N@H+](C)C[C@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001725176262 1425692423 /nfs/dbraw/zinc/69/24/23/1425692423.db2.gz YUVJYEVKMPAQJF-HZPDHXFCSA-N 2 1 344.503 3.375 20 0 EGADMP CN(CC[NH2+][C@@H]1CCCc2ccccc21)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001691477193 1405293296 /nfs/dbraw/zinc/29/32/96/1405293296.db2.gz ZVLQSNDGEWRCSM-LJQANCHMSA-N 2 1 345.531 3.090 20 0 EGADMP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](CNC(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001691709369 1405437628 /nfs/dbraw/zinc/43/76/28/1405437628.db2.gz ZGZJEPJAQVHGBH-MKXGPGLRSA-N 2 1 349.563 3.172 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001692112098 1405776423 /nfs/dbraw/zinc/77/64/23/1405776423.db2.gz NEIRGIGIGVCKKY-ZRHASKPBSA-N 2 1 335.536 3.189 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001698575180 1406182808 /nfs/dbraw/zinc/18/28/08/1406182808.db2.gz SAACOOFHVPDMLF-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](CC)c2ccccc2)C1 ZINC001698575180 1406182810 /nfs/dbraw/zinc/18/28/10/1406182810.db2.gz SAACOOFHVPDMLF-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC001698575180 1406182814 /nfs/dbraw/zinc/18/28/14/1406182814.db2.gz SAACOOFHVPDMLF-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC001732023243 1428240959 /nfs/dbraw/zinc/24/09/59/1428240959.db2.gz RESWZNLNUUZQLD-WOJBJXKFSA-N 2 1 343.515 3.108 20 0 EGADMP C[NH+](CCC(=O)N1CC[C@@H](C[N@@H+](C)CCC2CC2)C1)C1CCCCC1 ZINC001732075198 1428326505 /nfs/dbraw/zinc/32/65/05/1428326505.db2.gz DLQYTQWHPDOMEY-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CC1)C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001732075198 1428326508 /nfs/dbraw/zinc/32/65/08/1428326508.db2.gz DLQYTQWHPDOMEY-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CC1)C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001732075198 1428326512 /nfs/dbraw/zinc/32/65/12/1428326512.db2.gz DLQYTQWHPDOMEY-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001732101464 1428361512 /nfs/dbraw/zinc/36/15/12/1428361512.db2.gz NPELJNABSFLWRR-ZWKOTPCHSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001732186270 1428435512 /nfs/dbraw/zinc/43/55/12/1428435512.db2.gz RSBSJXIFJVBUCO-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H]([NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC001732291430 1428516684 /nfs/dbraw/zinc/51/66/84/1428516684.db2.gz FFVADIBQNMYQOV-PXNSSMCTSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001699415255 1412729350 /nfs/dbraw/zinc/72/93/50/1412729350.db2.gz JEMGQVJPGUDBJW-TWOQFEAHSA-N 2 1 339.483 3.089 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001699425440 1412740584 /nfs/dbraw/zinc/74/05/84/1412740584.db2.gz LDBJLKVWXHAISA-IRXDYDNUSA-N 2 1 347.547 3.481 20 0 EGADMP C[C@@H](C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1)NC(=O)CCC[NH+](C)C ZINC001699460909 1412814441 /nfs/dbraw/zinc/81/44/41/1412814441.db2.gz GIMJOHWOFXJFHH-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001699463086 1412821666 /nfs/dbraw/zinc/82/16/66/1412821666.db2.gz DCKFPJLKGPVSHS-JKSUJKDBSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001699700922 1413114700 /nfs/dbraw/zinc/11/47/00/1413114700.db2.gz BFXNLBULCFAWNE-WIYYLYMNSA-N 2 1 343.515 3.014 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@]3(CC[NH+](CCCC(C)(C)C)C3)C2)C1 ZINC001699702066 1413115716 /nfs/dbraw/zinc/11/57/16/1413115716.db2.gz QDLRDDJAUIUDKK-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@@]3(CC[N@H+](CCCC(C)(C)C)C3)C2)C1 ZINC001699702066 1413115720 /nfs/dbraw/zinc/11/57/20/1413115720.db2.gz QDLRDDJAUIUDKK-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@@]3(CC[N@@H+](CCCC(C)(C)C)C3)C2)C1 ZINC001699702066 1413115722 /nfs/dbraw/zinc/11/57/22/1413115722.db2.gz QDLRDDJAUIUDKK-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001699978960 1413424011 /nfs/dbraw/zinc/42/40/11/1413424011.db2.gz IRSYGWANEXEJJH-GUDVDZBRSA-N 2 1 337.552 3.027 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC001732577405 1428779687 /nfs/dbraw/zinc/77/96/87/1428779687.db2.gz YYNLQDPCPGRAGT-PXNSSMCTSA-N 2 1 345.531 3.355 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001732577405 1428779691 /nfs/dbraw/zinc/77/96/91/1428779691.db2.gz YYNLQDPCPGRAGT-PXNSSMCTSA-N 2 1 345.531 3.355 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001732577405 1428779695 /nfs/dbraw/zinc/77/96/95/1428779695.db2.gz YYNLQDPCPGRAGT-PXNSSMCTSA-N 2 1 345.531 3.355 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001700556044 1414225653 /nfs/dbraw/zinc/22/56/53/1414225653.db2.gz VTXOJZNTYMYNOL-CVEARBPZSA-N 2 1 349.494 3.055 20 0 EGADMP CCCC[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001700698469 1414359609 /nfs/dbraw/zinc/35/96/09/1414359609.db2.gz QIYGZLGTUJIAQV-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H]1[C@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@H+]1CCC1CCCC1 ZINC001700889002 1414548322 /nfs/dbraw/zinc/54/83/22/1414548322.db2.gz SBXCLNOPEGEWHB-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CN(CC[N@@H+](C)CCC1CCCC1)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001732594051 1428823440 /nfs/dbraw/zinc/82/34/40/1428823440.db2.gz FBUMASQBKAIYQC-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H](C[N@@H+](C)CCC1CCCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001733053836 1429195398 /nfs/dbraw/zinc/19/53/98/1429195398.db2.gz GLIVUPYUYWMCGP-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001713060737 1417616445 /nfs/dbraw/zinc/61/64/45/1417616445.db2.gz IWCGLVQDMVTDGY-ABQVSZSXSA-N 2 1 347.547 3.330 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001713060737 1417616446 /nfs/dbraw/zinc/61/64/46/1417616446.db2.gz IWCGLVQDMVTDGY-ABQVSZSXSA-N 2 1 347.547 3.330 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001713060737 1417616449 /nfs/dbraw/zinc/61/64/49/1417616449.db2.gz IWCGLVQDMVTDGY-ABQVSZSXSA-N 2 1 347.547 3.330 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[C@H](C[N@@H+](C)CCC3CCCC3)C2)CC1 ZINC001713134707 1417713587 /nfs/dbraw/zinc/71/35/87/1417713587.db2.gz SLXHTCRPYOGYQD-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001713219216 1417800058 /nfs/dbraw/zinc/80/00/58/1417800058.db2.gz LFGNCZDVYPVPCN-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001713279464 1417905217 /nfs/dbraw/zinc/90/52/17/1417905217.db2.gz ZNRHFYPPCIJSEH-ZWKOTPCHSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)CC1CCCCC1 ZINC001713484389 1418177396 /nfs/dbraw/zinc/17/73/96/1418177396.db2.gz FUKASCBYPIIKMO-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+](CC)[C@H](C)c2ccccc2)C1 ZINC001713490409 1418188692 /nfs/dbraw/zinc/18/86/92/1418188692.db2.gz FDEYPBHLHJFILI-QUCCMNQESA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@H+](CC)[C@H](C)c2ccccc2)C1 ZINC001713490409 1418188696 /nfs/dbraw/zinc/18/86/96/1418188696.db2.gz FDEYPBHLHJFILI-QUCCMNQESA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@@H+](CC)[C@H](C)c2ccccc2)C1 ZINC001713490409 1418188699 /nfs/dbraw/zinc/18/86/99/1418188699.db2.gz FDEYPBHLHJFILI-QUCCMNQESA-N 2 1 345.531 3.308 20 0 EGADMP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@H](C)c1cccc(Cl)c1 ZINC001713497745 1418210442 /nfs/dbraw/zinc/21/04/42/1418210442.db2.gz YACWFQJPIUNOLX-CQSZACIVSA-N 2 1 348.878 3.044 20 0 EGADMP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@H](C)c1cccc(Cl)c1 ZINC001713497745 1418210446 /nfs/dbraw/zinc/21/04/46/1418210446.db2.gz YACWFQJPIUNOLX-CQSZACIVSA-N 2 1 348.878 3.044 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1cccc(C)c1 ZINC001713546695 1418318706 /nfs/dbraw/zinc/31/87/06/1418318706.db2.gz VPIYMLJDXVTTFL-HXUWFJFHSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)Cc1cccc(C)c1 ZINC001713546695 1418318710 /nfs/dbraw/zinc/31/87/10/1418318710.db2.gz VPIYMLJDXVTTFL-HXUWFJFHSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)Cc1cccc(C)c1 ZINC001713546695 1418318714 /nfs/dbraw/zinc/31/87/14/1418318714.db2.gz VPIYMLJDXVTTFL-HXUWFJFHSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001713682453 1418434907 /nfs/dbraw/zinc/43/49/07/1418434907.db2.gz BKNQXDIBMCLCIQ-QZTJIDSGSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001713734482 1418526287 /nfs/dbraw/zinc/52/62/87/1418526287.db2.gz IWDHFRLOCRMNPP-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@@H](CNC(=O)CCc1cnc[nH]1)[NH2+][C@H](C)c1ccccc1Cl ZINC001714080914 1418874696 /nfs/dbraw/zinc/87/46/96/1418874696.db2.gz SUYDNUFJVFIYSM-KGLIPLIRSA-N 2 1 348.878 3.241 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1ccccc1C ZINC001714139690 1418942121 /nfs/dbraw/zinc/94/21/21/1418942121.db2.gz JIILQJAABIXBTA-RTBURBONSA-N 2 1 345.531 3.369 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCC2CCCCCC2)CCCC1 ZINC001714139869 1418942530 /nfs/dbraw/zinc/94/25/30/1418942530.db2.gz WKBORXHYNKGRDR-LJQANCHMSA-N 2 1 349.563 3.460 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2(C[NH2+]CC3CC(C)C3)CCCC2)C1 ZINC001714140508 1418942860 /nfs/dbraw/zinc/94/28/60/1418942860.db2.gz MGHRTZITJKVCEB-ACBHZAAOSA-N 2 1 349.563 3.173 20 0 EGADMP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001714149060 1418954867 /nfs/dbraw/zinc/95/48/67/1418954867.db2.gz CEUKJTOOBAWWKC-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2F)CC1 ZINC001714313495 1419094213 /nfs/dbraw/zinc/09/42/13/1419094213.db2.gz KSUZESLUQOFBFI-BRWVUGGUSA-N 2 1 349.494 3.246 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001714447001 1419178782 /nfs/dbraw/zinc/17/87/82/1419178782.db2.gz XUIYUUQBFMAMNX-RTBURBONSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)CC2 ZINC001714522821 1419249104 /nfs/dbraw/zinc/24/91/04/1419249104.db2.gz CNPSJTRNTRCCRF-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@@H](C)c2cccc(F)c2)CC1 ZINC001714569886 1419299991 /nfs/dbraw/zinc/29/99/91/1419299991.db2.gz RCQKJOKKTPDAIE-INIZCTEOSA-N 2 1 349.494 3.055 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)Cc1ccccc1C ZINC001714583632 1419323827 /nfs/dbraw/zinc/32/38/27/1419323827.db2.gz CIYPYEFSHPFRHD-HXUWFJFHSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)Cc1ccccc1C ZINC001714583632 1419323829 /nfs/dbraw/zinc/32/38/29/1419323829.db2.gz CIYPYEFSHPFRHD-HXUWFJFHSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C)Cc1ccccc1C ZINC001714583632 1419323833 /nfs/dbraw/zinc/32/38/33/1419323833.db2.gz CIYPYEFSHPFRHD-HXUWFJFHSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)[C@@H](C)c1ccc(F)cc1 ZINC001714584917 1419326767 /nfs/dbraw/zinc/32/67/67/1419326767.db2.gz SAASWIBNQRCIIH-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC001714584917 1419326769 /nfs/dbraw/zinc/32/67/69/1419326769.db2.gz SAASWIBNQRCIIH-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC001714584917 1419326771 /nfs/dbraw/zinc/32/67/71/1419326771.db2.gz SAASWIBNQRCIIH-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@@H](C)c1ccccc1C ZINC001714618339 1419382348 /nfs/dbraw/zinc/38/23/48/1419382348.db2.gz KQUXLAMSKNSFKU-RBUKOAKNSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)c1ccccc1C ZINC001714618339 1419382352 /nfs/dbraw/zinc/38/23/52/1419382352.db2.gz KQUXLAMSKNSFKU-RBUKOAKNSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)c1ccccc1C ZINC001714618339 1419382357 /nfs/dbraw/zinc/38/23/57/1419382357.db2.gz KQUXLAMSKNSFKU-RBUKOAKNSA-N 2 1 345.531 3.369 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC/C=C\c1ccccc1)[NH+](C)C ZINC001714622567 1419390730 /nfs/dbraw/zinc/39/07/30/1419390730.db2.gz RCZOBWXRZVMODE-LMEYLOCPSA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001714637578 1419408569 /nfs/dbraw/zinc/40/85/69/1419408569.db2.gz LZWHWYAZOIKYKO-AZUAARDMSA-N 2 1 345.531 3.088 20 0 EGADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC001714716893 1419482179 /nfs/dbraw/zinc/48/21/79/1419482179.db2.gz QXVCXHOKLCOXQI-FXAWDEMLSA-N 2 1 343.515 3.203 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001714762017 1419498119 /nfs/dbraw/zinc/49/81/19/1419498119.db2.gz BMSJVCOEGPCYFG-QUCCMNQESA-N 2 1 345.531 3.367 20 0 EGADMP CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001714904576 1419646984 /nfs/dbraw/zinc/64/69/84/1419646984.db2.gz GRTJWICYRXARRG-WOJBJXKFSA-N 2 1 345.531 3.086 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[N@@H+](C)C[C@@H](C)CC(C)C)CC1 ZINC001714914094 1419662612 /nfs/dbraw/zinc/66/26/12/1419662612.db2.gz RVJHADHLLUTFEQ-KRWDZBQOSA-N 2 1 348.535 3.044 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[N@H+](C)C[C@@H](C)CC(C)C)CC1 ZINC001714914094 1419662615 /nfs/dbraw/zinc/66/26/15/1419662615.db2.gz RVJHADHLLUTFEQ-KRWDZBQOSA-N 2 1 348.535 3.044 20 0 EGADMP CCN(C(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001715040248 1419778395 /nfs/dbraw/zinc/77/83/95/1419778395.db2.gz MOLHIXJIUPUSOO-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)CC[N@H+](C)C1CCCCC1)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001715040248 1419778396 /nfs/dbraw/zinc/77/83/96/1419778396.db2.gz MOLHIXJIUPUSOO-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001715040248 1419778398 /nfs/dbraw/zinc/77/83/98/1419778398.db2.gz MOLHIXJIUPUSOO-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001715066836 1419803453 /nfs/dbraw/zinc/80/34/53/1419803453.db2.gz YFSVGRKISBWENW-QGZVFWFLSA-N 2 1 337.552 3.172 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(CC[NH2+][C@H](C)c2ccccc2)CC1 ZINC001715178214 1419913303 /nfs/dbraw/zinc/91/33/03/1419913303.db2.gz ABCPGPHHHIRQHJ-GOSISDBHSA-N 2 1 345.531 3.308 20 0 EGADMP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1C ZINC001715225335 1419958259 /nfs/dbraw/zinc/95/82/59/1419958259.db2.gz CWPFAWWFRYGNBJ-JXFKEZNVSA-N 2 1 345.531 3.018 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCCC1 ZINC001715237996 1419968531 /nfs/dbraw/zinc/96/85/31/1419968531.db2.gz DAGKCMFMKNZLIM-MJGOQNOKSA-N 2 1 337.552 3.029 20 0 EGADMP CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001715480536 1420159387 /nfs/dbraw/zinc/15/93/87/1420159387.db2.gz HLMGYKNLWXWIPQ-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001715480536 1420159390 /nfs/dbraw/zinc/15/93/90/1420159390.db2.gz HLMGYKNLWXWIPQ-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001715480536 1420159391 /nfs/dbraw/zinc/15/93/91/1420159391.db2.gz HLMGYKNLWXWIPQ-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001716999928 1421070167 /nfs/dbraw/zinc/07/01/67/1421070167.db2.gz XACWRIJKYUDMMW-ACDBMABISA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001716999928 1421070169 /nfs/dbraw/zinc/07/01/69/1421070169.db2.gz XACWRIJKYUDMMW-ACDBMABISA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001716999928 1421070172 /nfs/dbraw/zinc/07/01/72/1421070172.db2.gz XACWRIJKYUDMMW-ACDBMABISA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001717200571 1421167919 /nfs/dbraw/zinc/16/79/19/1421167919.db2.gz IYBFLPPZFWSWJT-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)cc2C)CC1 ZINC001717200571 1421167921 /nfs/dbraw/zinc/16/79/21/1421167921.db2.gz IYBFLPPZFWSWJT-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C)cc2C)CC1 ZINC001717200571 1421167922 /nfs/dbraw/zinc/16/79/22/1421167922.db2.gz IYBFLPPZFWSWJT-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP Cc1cc(C)cc(C[N@H+](C)CCCN(C)C(=O)C[NH+](C)C2CCC2)c1 ZINC001717207846 1421178704 /nfs/dbraw/zinc/17/87/04/1421178704.db2.gz RNYZBYXOLKMBGC-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1cc(C)cc(C[NH+](C)CCCN(C)C(=O)C[N@H+](C)C2CCC2)c1 ZINC001717207846 1421178705 /nfs/dbraw/zinc/17/87/05/1421178705.db2.gz RNYZBYXOLKMBGC-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1cc(C)cc(C[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C2CCC2)c1 ZINC001717207846 1421178709 /nfs/dbraw/zinc/17/87/09/1421178709.db2.gz RNYZBYXOLKMBGC-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CN(CCC[N@@H+](C)CCCC1CCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001717211461 1421185305 /nfs/dbraw/zinc/18/53/05/1421185305.db2.gz PSDXSRGOGQGYTO-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)CCCN(C)C(=O)C[NH+]2CC[C@@H](C)C2)c1 ZINC001717212559 1421186850 /nfs/dbraw/zinc/18/68/50/1421186850.db2.gz YKLOXOZKUOLDTC-RTBURBONSA-N 2 1 345.531 3.178 20 0 EGADMP Cc1cccc([C@@H](C)[NH+](C)CCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001717212559 1421186853 /nfs/dbraw/zinc/18/68/53/1421186853.db2.gz YKLOXOZKUOLDTC-RTBURBONSA-N 2 1 345.531 3.178 20 0 EGADMP Cc1cccc([C@@H](C)[NH+](C)CCCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001717212559 1421186855 /nfs/dbraw/zinc/18/68/55/1421186855.db2.gz YKLOXOZKUOLDTC-RTBURBONSA-N 2 1 345.531 3.178 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001717217081 1421195301 /nfs/dbraw/zinc/19/53/01/1421195301.db2.gz OIYVKPWQVJSTOX-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC2CCCCC2)CC1(C)C ZINC001717312334 1421257615 /nfs/dbraw/zinc/25/76/15/1421257615.db2.gz RWGSGEFVOAKEOE-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)CC1(C)C ZINC001717312334 1421257617 /nfs/dbraw/zinc/25/76/17/1421257617.db2.gz RWGSGEFVOAKEOE-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)CC1(C)C ZINC001717312334 1421257620 /nfs/dbraw/zinc/25/76/20/1421257620.db2.gz RWGSGEFVOAKEOE-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C[C@@H]1C ZINC001717827398 1421641137 /nfs/dbraw/zinc/64/11/37/1421641137.db2.gz IAFUJLLDPIGUQI-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(CC)cc2)[C@@H]1C ZINC001717861630 1421674631 /nfs/dbraw/zinc/67/46/31/1421674631.db2.gz ZANUPWCZLHXAGK-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(CC)cc2)[C@@H]1C ZINC001717861630 1421674632 /nfs/dbraw/zinc/67/46/32/1421674632.db2.gz ZANUPWCZLHXAGK-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(CC)cc2)[C@@H]1C ZINC001717861630 1421674633 /nfs/dbraw/zinc/67/46/33/1421674633.db2.gz ZANUPWCZLHXAGK-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC(CC)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001733450782 1429662535 /nfs/dbraw/zinc/66/25/35/1429662535.db2.gz NXUSIMSZANYXKD-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001733464025 1429694012 /nfs/dbraw/zinc/69/40/12/1429694012.db2.gz SSFKZGNBKSRLFY-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC(C)(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001724303544 1424788385 /nfs/dbraw/zinc/78/83/85/1424788385.db2.gz ZQNINAXVXFKDPW-LJQANCHMSA-N 2 1 345.531 3.308 20 0 EGADMP O=C(CCC[NH+]1CCCC1)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001724601702 1424932576 /nfs/dbraw/zinc/93/25/76/1424932576.db2.gz SVKLXZRHUIEDGP-ACDBMABISA-N 2 1 347.547 3.022 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001725047328 1425477850 /nfs/dbraw/zinc/47/78/50/1425477850.db2.gz MGPIUGSSONGJRN-RBUKOAKNSA-N 2 1 345.531 3.321 20 0 EGADMP CC[C@@H](C(=O)N1CCC([N@@H+](C)Cc2ccccc2)CC1)[NH+](CC)CC ZINC001725425607 1426085000 /nfs/dbraw/zinc/08/50/00/1426085000.db2.gz UJAPQFUTJXERSV-FQEVSTJZSA-N 2 1 345.531 3.230 20 0 EGADMP Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)cc1C ZINC001725612737 1426273840 /nfs/dbraw/zinc/27/38/40/1426273840.db2.gz ACCWCKFCCSASAB-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001731354965 1427295256 /nfs/dbraw/zinc/29/52/56/1427295256.db2.gz NWUHCDADKMCBRK-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+]([C@@H](C)c1ccccc1)CC2 ZINC001731384590 1427327423 /nfs/dbraw/zinc/32/74/23/1427327423.db2.gz DNQBZWWZWIUREF-PKOBYXMFSA-N 2 1 343.515 3.060 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CC[NH+](C(C)C)CC1 ZINC001731387249 1427334756 /nfs/dbraw/zinc/33/47/56/1427334756.db2.gz KHAQBAGTWJCANG-UHFFFAOYSA-N 2 1 325.541 3.076 20 0 EGADMP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001731450718 1427427472 /nfs/dbraw/zinc/42/74/72/1427427472.db2.gz IONYKLUIODNOED-BJLQDIEVSA-N 2 1 349.563 3.457 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001731561911 1427598563 /nfs/dbraw/zinc/59/85/63/1427598563.db2.gz OOGVBZQVUDVMJC-WMZOPIPTSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001731561911 1427598568 /nfs/dbraw/zinc/59/85/68/1427598568.db2.gz OOGVBZQVUDVMJC-WMZOPIPTSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001731561909 1427598706 /nfs/dbraw/zinc/59/87/06/1427598706.db2.gz OOGVBZQVUDVMJC-FUHWJXTLSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001731561909 1427598711 /nfs/dbraw/zinc/59/87/11/1427598711.db2.gz OOGVBZQVUDVMJC-FUHWJXTLSA-N 2 1 348.535 3.235 20 0 EGADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CCC1CCCCCC1 ZINC001731619435 1427668311 /nfs/dbraw/zinc/66/83/11/1427668311.db2.gz WRYXGPICHUXBSI-QGZVFWFLSA-N 2 1 339.568 3.419 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)Cc1ccccc1C ZINC001731873746 1428134677 /nfs/dbraw/zinc/13/46/77/1428134677.db2.gz PTMGNEPSBSWBEY-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)Cc1ccccc1C ZINC001731873746 1428134679 /nfs/dbraw/zinc/13/46/79/1428134679.db2.gz PTMGNEPSBSWBEY-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](C/C=C/c2ccccc2)CC1 ZINC001733770573 1430000353 /nfs/dbraw/zinc/00/03/53/1430000353.db2.gz UDYMMYKUHBCQOZ-OEMHODTASA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](C/C=C/c2ccccc2)CC1 ZINC001733770573 1430000360 /nfs/dbraw/zinc/00/03/60/1430000360.db2.gz UDYMMYKUHBCQOZ-OEMHODTASA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)CC1 ZINC001733770573 1430000364 /nfs/dbraw/zinc/00/03/64/1430000364.db2.gz UDYMMYKUHBCQOZ-OEMHODTASA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001733770430 1430000652 /nfs/dbraw/zinc/00/06/52/1430000652.db2.gz RRVBJAPWTNRTIM-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2)CC1 ZINC001733770430 1430000659 /nfs/dbraw/zinc/00/06/59/1430000659.db2.gz RRVBJAPWTNRTIM-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2ccccc2)CC1 ZINC001733770430 1430000661 /nfs/dbraw/zinc/00/06/61/1430000661.db2.gz RRVBJAPWTNRTIM-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001733783037 1430050642 /nfs/dbraw/zinc/05/06/42/1430050642.db2.gz VJOFEEHTCCQFHN-MOPGFXCFSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001733783037 1430050647 /nfs/dbraw/zinc/05/06/47/1430050647.db2.gz VJOFEEHTCCQFHN-MOPGFXCFSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001733783037 1430050653 /nfs/dbraw/zinc/05/06/53/1430050653.db2.gz VJOFEEHTCCQFHN-MOPGFXCFSA-N 2 1 337.552 3.079 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)CCCC(C)(C)C ZINC001733939099 1437754946 /nfs/dbraw/zinc/75/49/46/1437754946.db2.gz VAVNYFUGQUIMSP-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CCCC(C)(C)C ZINC001733939099 1437754947 /nfs/dbraw/zinc/75/49/47/1437754947.db2.gz VAVNYFUGQUIMSP-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001733939099 1437754948 /nfs/dbraw/zinc/75/49/48/1437754948.db2.gz VAVNYFUGQUIMSP-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001734065891 1437860649 /nfs/dbraw/zinc/86/06/49/1437860649.db2.gz NISGXHAQJIETLW-RTBURBONSA-N 2 1 345.531 3.369 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)[C@H](C)c2ccccc2F)CC1 ZINC001734270844 1437999829 /nfs/dbraw/zinc/99/98/29/1437999829.db2.gz CXPRWMFVUFAGCL-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)[C@H](C)c2ccccc2F)CC1 ZINC001734270844 1437999842 /nfs/dbraw/zinc/99/98/42/1437999842.db2.gz CXPRWMFVUFAGCL-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)[C@H](C)c2ccccc2F)CC1 ZINC001734270844 1437999849 /nfs/dbraw/zinc/99/98/49/1437999849.db2.gz CXPRWMFVUFAGCL-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2C)[C@H]1C ZINC001734404426 1438083905 /nfs/dbraw/zinc/08/39/05/1438083905.db2.gz KAJLLCIWFLWATO-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)CC1CCC(C)CC1 ZINC001751974750 1440129895 /nfs/dbraw/zinc/12/98/95/1440129895.db2.gz KAEQTFOKHPPEKL-CTWPCTMYSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+](C)CC1CCC(C)CC1 ZINC001751974750 1440129896 /nfs/dbraw/zinc/12/98/96/1440129896.db2.gz KAEQTFOKHPPEKL-CTWPCTMYSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+](C)CC1CCC(C)CC1 ZINC001751974750 1440129897 /nfs/dbraw/zinc/12/98/97/1440129897.db2.gz KAEQTFOKHPPEKL-CTWPCTMYSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC1CC(C)(C)C1 ZINC001751989468 1440131269 /nfs/dbraw/zinc/13/12/69/1440131269.db2.gz ODMDKPXMJAXMEY-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CC1CC(C)(C)C1 ZINC001751989468 1440131271 /nfs/dbraw/zinc/13/12/71/1440131271.db2.gz ODMDKPXMJAXMEY-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)CC1CC(C)(C)C1 ZINC001751989468 1440131272 /nfs/dbraw/zinc/13/12/72/1440131272.db2.gz ODMDKPXMJAXMEY-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)c1 ZINC001752159058 1440148267 /nfs/dbraw/zinc/14/82/67/1440148267.db2.gz YSIFVNHLRRUYJT-AZUAARDMSA-N 2 1 345.531 3.194 20 0 EGADMP CN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CC[NH+](CCC2CC2)CC1 ZINC001752303738 1440168267 /nfs/dbraw/zinc/16/82/67/1440168267.db2.gz GYCDFHNYOVVFOM-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001752396076 1440174073 /nfs/dbraw/zinc/17/40/73/1440174073.db2.gz LHAXSBBNBHOPTL-QFBILLFUSA-N 2 1 331.504 3.013 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC12CC[NH+](CCC1CCCCC1)CC2 ZINC001752431986 1440178644 /nfs/dbraw/zinc/17/86/44/1440178644.db2.gz QQEMLYZMJOGETO-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001752432593 1440178788 /nfs/dbraw/zinc/17/87/88/1440178788.db2.gz VPYKARVFVJXJLI-DSQZMVHQSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C/CC[NH+]1CCC(N(CCC)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001752439597 1440180993 /nfs/dbraw/zinc/18/09/93/1440180993.db2.gz KOMWKPKPUWZULZ-OVKVCFKUSA-N 2 1 349.563 3.388 20 0 EGADMP CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001752518594 1440191841 /nfs/dbraw/zinc/19/18/41/1440191841.db2.gz WCHLPDGRUUHBSN-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001752518594 1440191842 /nfs/dbraw/zinc/19/18/42/1440191842.db2.gz WCHLPDGRUUHBSN-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001752518594 1440191843 /nfs/dbraw/zinc/19/18/43/1440191843.db2.gz WCHLPDGRUUHBSN-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001752639524 1440197470 /nfs/dbraw/zinc/19/74/70/1440197470.db2.gz NYCVUWIHBMFBEC-MKXGPGLRSA-N 2 1 337.552 3.026 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001752740689 1440204415 /nfs/dbraw/zinc/20/44/15/1440204415.db2.gz GKOHDNVSOOCJJE-CALCHBBNSA-N 2 1 335.536 3.066 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001752785596 1440211076 /nfs/dbraw/zinc/21/10/76/1440211076.db2.gz CCWWRMRJMVXNCU-OALUTQOASA-N 2 1 337.552 3.127 20 0 EGADMP CCCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001752785596 1440211077 /nfs/dbraw/zinc/21/10/77/1440211077.db2.gz CCWWRMRJMVXNCU-OALUTQOASA-N 2 1 337.552 3.127 20 0 EGADMP CCCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001752785596 1440211078 /nfs/dbraw/zinc/21/10/78/1440211078.db2.gz CCWWRMRJMVXNCU-OALUTQOASA-N 2 1 337.552 3.127 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001752799153 1440214812 /nfs/dbraw/zinc/21/48/12/1440214812.db2.gz LJARGQUFGKQUIW-GBESFXJTSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCCC1)[NH+](C)C ZINC001752822242 1440221143 /nfs/dbraw/zinc/22/11/43/1440221143.db2.gz CKAQPZCTOPUOPC-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCCCC1 ZINC001752822644 1440221396 /nfs/dbraw/zinc/22/13/96/1440221396.db2.gz LOJOSYPIRKDIBK-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001752823467 1440222155 /nfs/dbraw/zinc/22/21/55/1440222155.db2.gz CFRDZIBSJNHBKL-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001752823467 1440222156 /nfs/dbraw/zinc/22/21/56/1440222156.db2.gz CFRDZIBSJNHBKL-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001752823467 1440222157 /nfs/dbraw/zinc/22/21/57/1440222157.db2.gz CFRDZIBSJNHBKL-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001752823467 1440222158 /nfs/dbraw/zinc/22/21/58/1440222158.db2.gz CFRDZIBSJNHBKL-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001752825235 1440223393 /nfs/dbraw/zinc/22/33/93/1440223393.db2.gz NWLNGLMLCNUBEG-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001752828906 1440224781 /nfs/dbraw/zinc/22/47/81/1440224781.db2.gz KJZQICVOVAVLDB-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001752828907 1440224843 /nfs/dbraw/zinc/22/48/43/1440224843.db2.gz KJZQICVOVAVLDB-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001752845811 1440232356 /nfs/dbraw/zinc/23/23/56/1440232356.db2.gz AAMOKTNHHPRCFL-DVAHFNKISA-N 2 1 347.547 3.044 20 0 EGADMP Cc1ccc(C[N@@H+](C)CCNC(=O)CC[NH+](C)C2CCCCC2)cc1 ZINC001753058558 1440282532 /nfs/dbraw/zinc/28/25/32/1440282532.db2.gz VKTMTXZMZFLHSL-UHFFFAOYSA-N 2 1 345.531 3.198 20 0 EGADMP Cc1ccc(C[NH+](C)CCNC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC001753058558 1440282533 /nfs/dbraw/zinc/28/25/33/1440282533.db2.gz VKTMTXZMZFLHSL-UHFFFAOYSA-N 2 1 345.531 3.198 20 0 EGADMP Cc1ccc(C[NH+](C)CCNC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC001753058558 1440282534 /nfs/dbraw/zinc/28/25/34/1440282534.db2.gz VKTMTXZMZFLHSL-UHFFFAOYSA-N 2 1 345.531 3.198 20 0 EGADMP CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)CCC(C)(C)C ZINC001753083278 1440295012 /nfs/dbraw/zinc/29/50/12/1440295012.db2.gz YLYPMQYNOGAARA-UHFFFAOYSA-N 2 1 325.541 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001753112880 1440309566 /nfs/dbraw/zinc/30/95/66/1440309566.db2.gz IFXNKTVPZMUUKE-CQQBRXBZSA-N 2 1 335.536 3.186 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001753112880 1440309567 /nfs/dbraw/zinc/30/95/67/1440309567.db2.gz IFXNKTVPZMUUKE-CQQBRXBZSA-N 2 1 335.536 3.186 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001753112880 1440309568 /nfs/dbraw/zinc/30/95/68/1440309568.db2.gz IFXNKTVPZMUUKE-CQQBRXBZSA-N 2 1 335.536 3.186 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@@H](C)c1cccc(F)c1 ZINC001753116795 1440311829 /nfs/dbraw/zinc/31/18/29/1440311829.db2.gz OUJGMCKBWYBYCF-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)c1cccc(F)c1 ZINC001753116795 1440311830 /nfs/dbraw/zinc/31/18/30/1440311830.db2.gz OUJGMCKBWYBYCF-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)c1cccc(F)c1 ZINC001753116795 1440311831 /nfs/dbraw/zinc/31/18/31/1440311831.db2.gz OUJGMCKBWYBYCF-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001753136353 1440318932 /nfs/dbraw/zinc/31/89/32/1440318932.db2.gz UIIQCILDLAYVJF-WOJBJXKFSA-N 2 1 345.531 3.054 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](CC1CCC(C)(C)CC1)C1CC1 ZINC001753165081 1440335736 /nfs/dbraw/zinc/33/57/36/1440335736.db2.gz NHKGZQQSGKQHIL-UHFFFAOYSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC[N@H+](CC1CCC(C)(C)CC1)C1CC1 ZINC001753165081 1440335737 /nfs/dbraw/zinc/33/57/37/1440335737.db2.gz NHKGZQQSGKQHIL-UHFFFAOYSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](CC1CCC(C)(C)CC1)C1CC1 ZINC001753165081 1440335738 /nfs/dbraw/zinc/33/57/38/1440335738.db2.gz NHKGZQQSGKQHIL-UHFFFAOYSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001753276853 1440346346 /nfs/dbraw/zinc/34/63/46/1440346346.db2.gz AZRBZNNUYDULEK-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]([NH2+]CC1CC1)C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001753277635 1440346582 /nfs/dbraw/zinc/34/65/82/1440346582.db2.gz NRETYPLFRCDSGT-QGZVFWFLSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)CC1CC(C)C1 ZINC001753285622 1440348729 /nfs/dbraw/zinc/34/87/29/1440348729.db2.gz RVWZDIJQRCLIQO-ACBHZAAOSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC1CC(C)C1 ZINC001753285622 1440348730 /nfs/dbraw/zinc/34/87/30/1440348730.db2.gz RVWZDIJQRCLIQO-ACBHZAAOSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)CC1CC(C)C1 ZINC001753285622 1440348731 /nfs/dbraw/zinc/34/87/31/1440348731.db2.gz RVWZDIJQRCLIQO-ACBHZAAOSA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001753351505 1440378059 /nfs/dbraw/zinc/37/80/59/1440378059.db2.gz FDSULUHPTKDTKK-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001753351505 1440378060 /nfs/dbraw/zinc/37/80/60/1440378060.db2.gz FDSULUHPTKDTKK-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001753351505 1440378061 /nfs/dbraw/zinc/37/80/61/1440378061.db2.gz FDSULUHPTKDTKK-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001753368563 1440386668 /nfs/dbraw/zinc/38/66/68/1440386668.db2.gz AGCRGOGGBGLWLT-ATZDWAIDSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001753368563 1440386669 /nfs/dbraw/zinc/38/66/69/1440386669.db2.gz AGCRGOGGBGLWLT-ATZDWAIDSA-N 2 1 349.494 3.054 20 0 EGADMP CCN(C(=O)C[NH+]1CCC(C)CC1)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001753460186 1440410244 /nfs/dbraw/zinc/41/02/44/1440410244.db2.gz YFISAEISVTZNKV-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001753462689 1440411588 /nfs/dbraw/zinc/41/15/88/1440411588.db2.gz ZEENKVUAJJNEOU-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001753581365 1440440167 /nfs/dbraw/zinc/44/01/67/1440440167.db2.gz MPRKEFUKDWRPTM-FHWLQOOXSA-N 2 1 337.552 3.170 20 0 EGADMP CC(C)C[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001753599045 1440445775 /nfs/dbraw/zinc/44/57/75/1440445775.db2.gz ZZDHPNQYYNZBCD-LJQANCHMSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001753694683 1440467214 /nfs/dbraw/zinc/46/72/14/1440467214.db2.gz DTLCDZDEWABOMK-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H](C[NH2+]CC1CCC(C)(C)CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001753698731 1440467886 /nfs/dbraw/zinc/46/78/86/1440467886.db2.gz JONNGISECMSNRW-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC2=CCCCC2)C1 ZINC001753709136 1440470229 /nfs/dbraw/zinc/47/02/29/1440470229.db2.gz SJXURMONNKVRPG-ICSRJNTNSA-N 2 1 349.563 3.435 20 0 EGADMP C[C@H](C[NH2+]CC1CCCCC1)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001753729224 1440475325 /nfs/dbraw/zinc/47/53/25/1440475325.db2.gz IPQGJHRBQSKERW-XLIONFOSSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc2ccccc21 ZINC001753729338 1440475387 /nfs/dbraw/zinc/47/53/87/1440475387.db2.gz KXZDVDOBMBSSPV-KRWDZBQOSA-N 2 1 341.499 3.117 20 0 EGADMP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001753749758 1440482136 /nfs/dbraw/zinc/48/21/36/1440482136.db2.gz PYAJZCIHVIMWJE-MOPGFXCFSA-N 2 1 337.552 3.029 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]CC1CC2(CCC2)C1 ZINC001753788702 1440488659 /nfs/dbraw/zinc/48/86/59/1440488659.db2.gz SOGFGYXDWFESMC-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001753831118 1440499599 /nfs/dbraw/zinc/49/95/99/1440499599.db2.gz NFTBPNWRLKCZMR-MOPGFXCFSA-N 2 1 335.536 3.090 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(CC)cc1 ZINC001753854304 1440508280 /nfs/dbraw/zinc/50/82/80/1440508280.db2.gz FYTXESVTUYOTTJ-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(CC)cc1 ZINC001753854304 1440508281 /nfs/dbraw/zinc/50/82/81/1440508281.db2.gz FYTXESVTUYOTTJ-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(CC)cc1 ZINC001753854304 1440508282 /nfs/dbraw/zinc/50/82/82/1440508282.db2.gz FYTXESVTUYOTTJ-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001753869314 1440516748 /nfs/dbraw/zinc/51/67/48/1440516748.db2.gz OLCULZYYJPCTGX-SFHVURJKSA-N 2 1 331.504 3.014 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@H](CC[NH+]2CCCC2CCCC2)C1 ZINC001753874731 1440518605 /nfs/dbraw/zinc/51/86/05/1440518605.db2.gz BHTKCKDBDAPQOM-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCCC2CCCC2)C1 ZINC001753874731 1440518606 /nfs/dbraw/zinc/51/86/06/1440518606.db2.gz BHTKCKDBDAPQOM-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCCC2CCCC2)C1 ZINC001753874731 1440518607 /nfs/dbraw/zinc/51/86/07/1440518607.db2.gz BHTKCKDBDAPQOM-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCC(C)CC1 ZINC001754139859 1440544196 /nfs/dbraw/zinc/54/41/96/1440544196.db2.gz JHUOIXUDYRQOIK-OYFNKTHYSA-N 2 1 349.563 3.195 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001754239168 1440555316 /nfs/dbraw/zinc/55/53/16/1440555316.db2.gz PYHGTJPFCNCIJE-XWSJACJDSA-N 2 1 345.531 3.189 20 0 EGADMP Cc1cc(C)c(C[NH2+]C[C@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)c(C)c1 ZINC001754270636 1440561439 /nfs/dbraw/zinc/56/14/39/1440561439.db2.gz JRTPQVBOVQBHJV-OALUTQOASA-N 2 1 345.531 3.081 20 0 EGADMP C[C@H](C[N@@H+](C)CCC(C)(C)C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001754317435 1440576125 /nfs/dbraw/zinc/57/61/25/1440576125.db2.gz DETWURDYWLGKKG-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C)c1 ZINC001754337685 1440587563 /nfs/dbraw/zinc/58/75/63/1440587563.db2.gz YKCFPDJIVVJMBP-MSOLQXFVSA-N 2 1 333.520 3.141 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001754337685 1440587564 /nfs/dbraw/zinc/58/75/64/1440587564.db2.gz YKCFPDJIVVJMBP-MSOLQXFVSA-N 2 1 333.520 3.141 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001754337685 1440587565 /nfs/dbraw/zinc/58/75/65/1440587565.db2.gz YKCFPDJIVVJMBP-MSOLQXFVSA-N 2 1 333.520 3.141 20 0 EGADMP CC(C)[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001754347321 1440589980 /nfs/dbraw/zinc/58/99/80/1440589980.db2.gz XMIPLIPNANKPKG-SJLPKXTDSA-N 2 1 337.552 3.312 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCCN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)c1 ZINC001754376168 1440592998 /nfs/dbraw/zinc/59/29/98/1440592998.db2.gz AWDDPZBBLPFYEJ-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1CC ZINC001754471199 1440605388 /nfs/dbraw/zinc/60/53/88/1440605388.db2.gz WOWVHXPOXHRWNS-MSOLQXFVSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1CC ZINC001754470857 1440605509 /nfs/dbraw/zinc/60/55/09/1440605509.db2.gz RTOQXACDZLVYKN-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001754504060 1440615436 /nfs/dbraw/zinc/61/54/36/1440615436.db2.gz CMKNPGOLRJKJLA-YSKLNCTFSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+][C@H](C)c3cccc(C)c3)CC2)CC[N@H+]1C ZINC001754514509 1440618209 /nfs/dbraw/zinc/61/82/09/1440618209.db2.gz CIPUJBKUEVOFAR-NZSAHSFTSA-N 2 1 343.515 3.025 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001754556270 1440631566 /nfs/dbraw/zinc/63/15/66/1440631566.db2.gz XZNSSNVLWMFVRT-HRSGFYEVSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001754556270 1440631567 /nfs/dbraw/zinc/63/15/67/1440631567.db2.gz XZNSSNVLWMFVRT-HRSGFYEVSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001754556270 1440631568 /nfs/dbraw/zinc/63/15/68/1440631568.db2.gz XZNSSNVLWMFVRT-HRSGFYEVSA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)C[C@H]1C ZINC001754601955 1440642552 /nfs/dbraw/zinc/64/25/52/1440642552.db2.gz WWHIIGKZJVGZFE-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC1(C)CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001754629418 1440647338 /nfs/dbraw/zinc/64/73/38/1440647338.db2.gz BVKQFTAGDDEHDN-INIZCTEOSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[NH2+]C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C1CCCC1 ZINC001754653303 1440652633 /nfs/dbraw/zinc/65/26/33/1440652633.db2.gz XKIBYZRWJKYDGI-IBGZPJMESA-N 2 1 337.552 3.314 20 0 EGADMP CCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001754960516 1440717427 /nfs/dbraw/zinc/71/74/27/1440717427.db2.gz MUQZTMYGRRDYGO-LJQANCHMSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCC1 ZINC001754990872 1440724385 /nfs/dbraw/zinc/72/43/85/1440724385.db2.gz RURGPZCFCCPKTE-GOSISDBHSA-N 2 1 349.563 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCCC2)CCC1 ZINC001754993097 1440725256 /nfs/dbraw/zinc/72/52/56/1440725256.db2.gz DGSQNJRENBDEIN-IBGZPJMESA-N 2 1 349.563 3.460 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001755028194 1440729890 /nfs/dbraw/zinc/72/98/90/1440729890.db2.gz BWPNCEDGOZOLFZ-VZSQWMKGSA-N 2 1 335.536 3.045 20 0 EGADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001755029691 1440730835 /nfs/dbraw/zinc/73/08/35/1440730835.db2.gz YRNGMJVEKWAJOG-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001755034569 1440733668 /nfs/dbraw/zinc/73/36/68/1440733668.db2.gz UASAZAPUFDFHTR-UXHICEINSA-N 2 1 343.515 3.226 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001755034569 1440733669 /nfs/dbraw/zinc/73/36/69/1440733669.db2.gz UASAZAPUFDFHTR-UXHICEINSA-N 2 1 343.515 3.226 20 0 EGADMP CC(C)[C@H](C(=O)N(C)CCC[N@@H+](C)CCC(C)(C)C)[NH+]1CCCC1 ZINC001755047694 1440742083 /nfs/dbraw/zinc/74/20/83/1440742083.db2.gz OYSKOUMWVBYFQU-GOSISDBHSA-N 2 1 339.568 3.323 20 0 EGADMP CCC1([NH2+]CC2CCC2)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001755070173 1440746273 /nfs/dbraw/zinc/74/62/73/1440746273.db2.gz VZEOXDPOJQKIIJ-MOPGFXCFSA-N 2 1 347.547 3.164 20 0 EGADMP CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001755073657 1440747558 /nfs/dbraw/zinc/74/75/58/1440747558.db2.gz BVZSJDAEGVVORI-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](CC(C)C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001755183726 1440772065 /nfs/dbraw/zinc/77/20/65/1440772065.db2.gz PAFPVHPKYSUMAV-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC(C)C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001755183726 1440772066 /nfs/dbraw/zinc/77/20/66/1440772066.db2.gz PAFPVHPKYSUMAV-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC(C)C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001755183726 1440772067 /nfs/dbraw/zinc/77/20/67/1440772067.db2.gz PAFPVHPKYSUMAV-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001755204658 1440781775 /nfs/dbraw/zinc/78/17/75/1440781775.db2.gz MBZXZHFLKQPNNI-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001755205073 1440782029 /nfs/dbraw/zinc/78/20/29/1440782029.db2.gz PUXGJYFIQZRCCJ-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001755205073 1440782030 /nfs/dbraw/zinc/78/20/30/1440782030.db2.gz PUXGJYFIQZRCCJ-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001755205073 1440782031 /nfs/dbraw/zinc/78/20/31/1440782031.db2.gz PUXGJYFIQZRCCJ-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001755273677 1440798334 /nfs/dbraw/zinc/79/83/34/1440798334.db2.gz XYGAVZGWTKPULQ-SBDAGSLNSA-N 2 1 335.536 3.186 20 0 EGADMP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC001755277405 1440799490 /nfs/dbraw/zinc/79/94/90/1440799490.db2.gz KLXZCFODXJEXPF-YJBOKZPZSA-N 2 1 349.494 3.055 20 0 EGADMP Cc1cccc(C)c1C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001755300483 1440808256 /nfs/dbraw/zinc/80/82/56/1440808256.db2.gz QMYWCKWEPQZMHN-AZUAARDMSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cccc(C)c1C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001755300483 1440808257 /nfs/dbraw/zinc/80/82/57/1440808257.db2.gz QMYWCKWEPQZMHN-AZUAARDMSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001755300483 1440808258 /nfs/dbraw/zinc/80/82/58/1440808258.db2.gz QMYWCKWEPQZMHN-AZUAARDMSA-N 2 1 345.531 3.113 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH+](C)CC1CCCCC1 ZINC001755301382 1440808802 /nfs/dbraw/zinc/80/88/02/1440808802.db2.gz KTSVMOQXQCIWAQ-PXNSSMCTSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@H+](C)CC1CCCCC1 ZINC001755301382 1440808803 /nfs/dbraw/zinc/80/88/03/1440808803.db2.gz KTSVMOQXQCIWAQ-PXNSSMCTSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@@H+](C)CC1CCCCC1 ZINC001755301382 1440808804 /nfs/dbraw/zinc/80/88/04/1440808804.db2.gz KTSVMOQXQCIWAQ-PXNSSMCTSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NC1(C[NH2+]CC2=CCCCC2)CCCCC1 ZINC001755352070 1440828134 /nfs/dbraw/zinc/82/81/34/1440828134.db2.gz MWPQKINHELIGFW-UHFFFAOYSA-N 2 1 344.503 3.101 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCC1 ZINC001755367880 1440835559 /nfs/dbraw/zinc/83/55/59/1440835559.db2.gz JWTCPUWYJZMABZ-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCC1 ZINC001755367880 1440835560 /nfs/dbraw/zinc/83/55/60/1440835560.db2.gz JWTCPUWYJZMABZ-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC001755412560 1440847058 /nfs/dbraw/zinc/84/70/58/1440847058.db2.gz VPPUXBABCCLTLQ-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001755502916 1440862781 /nfs/dbraw/zinc/86/27/81/1440862781.db2.gz KLNZTIVMALUQNJ-IEBWSBKVSA-N 2 1 335.536 3.234 20 0 EGADMP CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001755563571 1440875120 /nfs/dbraw/zinc/87/51/20/1440875120.db2.gz BLELGNMSNACIEW-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC001755700011 1440899396 /nfs/dbraw/zinc/89/93/96/1440899396.db2.gz FLRNEVCFBKZGFR-ICSRJNTNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCCC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001755700100 1440899721 /nfs/dbraw/zinc/89/97/21/1440899721.db2.gz CIOIJLCEEYQTLW-UYAOXDASSA-N 2 1 335.536 3.164 20 0 EGADMP CCCCCC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001755700100 1440899722 /nfs/dbraw/zinc/89/97/22/1440899722.db2.gz CIOIJLCEEYQTLW-UYAOXDASSA-N 2 1 335.536 3.164 20 0 EGADMP CCCCCC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001755700100 1440899723 /nfs/dbraw/zinc/89/97/23/1440899723.db2.gz CIOIJLCEEYQTLW-UYAOXDASSA-N 2 1 335.536 3.164 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC1CCCC1)CC2 ZINC001755704836 1440902142 /nfs/dbraw/zinc/90/21/42/1440902142.db2.gz QVWVILBCIUDYFB-ICSRJNTNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CCC1CCCC1)CC2 ZINC001755705206 1440902466 /nfs/dbraw/zinc/90/24/66/1440902466.db2.gz VWOYSZXNTVJEFI-UYAOXDASSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@]12CCC[C@H]1[N@H+](CCC1CCCC1)CC2 ZINC001755705206 1440902467 /nfs/dbraw/zinc/90/24/67/1440902467.db2.gz VWOYSZXNTVJEFI-UYAOXDASSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@]12CCC[C@H]1[N@@H+](CCC1CCCC1)CC2 ZINC001755705206 1440902468 /nfs/dbraw/zinc/90/24/68/1440902468.db2.gz VWOYSZXNTVJEFI-UYAOXDASSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC001755717838 1440905722 /nfs/dbraw/zinc/90/57/22/1440905722.db2.gz JPIZYCPILHQGDS-RBUKOAKNSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c1 ZINC001755720122 1440907090 /nfs/dbraw/zinc/90/70/90/1440907090.db2.gz CPYFDQMPYPJXGG-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCN(C(=O)CC[NH+](C)C)C(C)C)c1 ZINC001755812508 1440921200 /nfs/dbraw/zinc/92/12/00/1440921200.db2.gz QWUZXPPHYQYVPH-LJQANCHMSA-N 2 1 347.547 3.485 20 0 EGADMP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001755825831 1440927196 /nfs/dbraw/zinc/92/71/96/1440927196.db2.gz XBKOGSOQNGJHDZ-MOPGFXCFSA-N 2 1 349.563 3.480 20 0 EGADMP CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001755845798 1440933230 /nfs/dbraw/zinc/93/32/30/1440933230.db2.gz YWFFAQSHIXOMKX-XLIONFOSSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[NH+]1CCC(C2(NC(=O)C[C@H](C)n3cc[nH+]c3CC)CC2)CC1 ZINC001755869121 1440938663 /nfs/dbraw/zinc/93/86/63/1440938663.db2.gz SSIGVHGRIJGCEF-INIZCTEOSA-N 2 1 346.519 3.167 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCc1ccccc1Cl ZINC000368181999 168321703 /nfs/dbraw/zinc/32/17/03/168321703.db2.gz SUOLTVJTXTXRBA-NEWSRXKRSA-N 2 1 336.907 3.456 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2c[nH]c3nccnc23)[C@@H]1c1cccs1 ZINC000368217254 168326826 /nfs/dbraw/zinc/32/68/26/168326826.db2.gz XDDYQQQNTBBOAV-CXAGYDPISA-N 2 1 341.484 3.144 20 0 EGADMP COc1cc(C[NH2+][C@H](C)CC[NH+](C)C)ccc1OCc1ccncc1 ZINC000065981507 215001721 /nfs/dbraw/zinc/00/17/21/215001721.db2.gz RVTWNTIIIPGGNQ-MRXNPFEDSA-N 2 1 343.471 3.099 20 0 EGADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000181721947 234299905 /nfs/dbraw/zinc/29/99/05/234299905.db2.gz JEQXUAKVOINKNB-ZIAGYGMSSA-N 2 1 335.879 3.373 20 0 EGADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@H](CC)[NH+](C)C)c1ccc(Cl)cc1 ZINC000358937412 283076554 /nfs/dbraw/zinc/07/65/54/283076554.db2.gz VXZQFILEFVMDTC-DLBZAZTESA-N 2 1 339.911 3.179 20 0 EGADMP CCc1noc(C2CCC([NH2+]C[C@H](C)Cn3cc[nH+]c3C)CC2)n1 ZINC000183790960 235227220 /nfs/dbraw/zinc/22/72/20/235227220.db2.gz KTWISPGVHBYKOM-JEYLPNPQSA-N 2 1 331.464 3.089 20 0 EGADMP Fc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000037408294 213144764 /nfs/dbraw/zinc/14/47/64/213144764.db2.gz HVWDFXCBCAUORB-LBPRGKRZSA-N 2 1 327.241 3.162 20 0 EGADMP C[C@H]1C[C@H](N(C)CC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000354400517 291124905 /nfs/dbraw/zinc/12/49/05/291124905.db2.gz PDXRNIUNPRGLOA-PZJWPPBQSA-N 2 1 329.532 3.457 20 0 EGADMP C[C@H]1CCC[C@@](C[NH2+]C2CCN(c3ccccn3)CC2)([NH+](C)C)C1 ZINC000129428951 223055457 /nfs/dbraw/zinc/05/54/57/223055457.db2.gz YFTUUYQWKIHGKQ-FXAWDEMLSA-N 2 1 330.520 3.151 20 0 EGADMP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000262710833 245135972 /nfs/dbraw/zinc/13/59/72/245135972.db2.gz QHCPRYITSRONFC-JXFKEZNVSA-N 2 1 331.504 3.195 20 0 EGADMP CC(C)SCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377287948 169006215 /nfs/dbraw/zinc/00/62/15/169006215.db2.gz NQDRIDYUXNVXNF-UHFFFAOYSA-N 2 1 341.609 3.256 20 0 EGADMP CC(C)SCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377287948 169006218 /nfs/dbraw/zinc/00/62/18/169006218.db2.gz NQDRIDYUXNVXNF-UHFFFAOYSA-N 3 1 341.609 3.256 20 0 EGADMP CC(C)SCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377287948 169006221 /nfs/dbraw/zinc/00/62/21/169006221.db2.gz NQDRIDYUXNVXNF-UHFFFAOYSA-N 3 1 341.609 3.256 20 0 EGADMP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000377633578 169052658 /nfs/dbraw/zinc/05/26/58/169052658.db2.gz VKRLCCUDPBAKNS-HHXXYDBFSA-N 2 1 331.504 3.003 20 0 EGADMP Cc1noc(C)c1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820967 218171236 /nfs/dbraw/zinc/17/12/36/218171236.db2.gz IGVDJJWYMXCRTH-UHFFFAOYSA-N 2 1 328.460 3.425 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000268776109 252227278 /nfs/dbraw/zinc/22/72/78/252227278.db2.gz BHUZXCLXXAEQGV-HNNXBMFYSA-N 2 1 343.475 3.462 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000268839240 252287154 /nfs/dbraw/zinc/28/71/54/252287154.db2.gz HQVNTTYHGYLYPP-UHFFFAOYSA-N 2 1 344.478 3.017 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000268848089 252295662 /nfs/dbraw/zinc/29/56/62/252295662.db2.gz VWCMCXXFCAAYIC-KRWDZBQOSA-N 2 1 333.520 3.263 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)COC2 ZINC000268861129 252309936 /nfs/dbraw/zinc/30/99/36/252309936.db2.gz VOLALZJDXOHWKZ-IXDOHACOSA-N 2 1 332.488 3.257 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)[C@H](C)C1 ZINC000268861272 252310434 /nfs/dbraw/zinc/31/04/34/252310434.db2.gz ZBZOXLIURKENGI-UKRRQHHQSA-N 2 1 344.425 3.222 20 0 EGADMP CC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc2c(c1)CCO2 ZINC000268851939 252300818 /nfs/dbraw/zinc/30/08/18/252300818.db2.gz GFJHTHRVUGXHQV-LJQANCHMSA-N 2 1 344.499 3.307 20 0 EGADMP COc1cc2[nH]c(CCC[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2c(OC)c1 ZINC000166334515 533145615 /nfs/dbraw/zinc/14/56/15/533145615.db2.gz AKERXEOFJNSKQV-LSDHHAIUSA-N 2 1 345.487 3.190 20 0 EGADMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccc(F)c1F ZINC000183317528 533463981 /nfs/dbraw/zinc/46/39/81/533463981.db2.gz QSOOSFVQCBUVBZ-CYBMUJFWSA-N 2 1 335.398 3.151 20 0 EGADMP CCN(C(=O)CN(C)C[C@H]1CCC[N@@H+](C)C1)[C@H](C)c1ccc(F)cc1 ZINC000246841710 141038657 /nfs/dbraw/zinc/03/86/57/141038657.db2.gz KABXDXOSBQEWDD-SJORKVTESA-N 2 1 349.494 3.009 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)[C@@H](C)C1 ZINC000268801489 141059394 /nfs/dbraw/zinc/05/93/94/141059394.db2.gz HQKSKUBYANEXQU-FXAWDEMLSA-N 2 1 339.483 3.481 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)[C@@H](C)C1 ZINC000268801489 141059395 /nfs/dbraw/zinc/05/93/95/141059395.db2.gz HQKSKUBYANEXQU-FXAWDEMLSA-N 2 1 339.483 3.481 20 0 EGADMP CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000344477572 141160928 /nfs/dbraw/zinc/16/09/28/141160928.db2.gz HGAHQFWBDBXCGC-UTKZUKDTSA-N 2 1 341.499 3.341 20 0 EGADMP CC[C@@H](C(=O)Nc1ccc(OC)cc1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000173642848 144045832 /nfs/dbraw/zinc/04/58/32/144045832.db2.gz DKIZQCHZECJPCT-HKUYNNGSSA-N 2 1 347.503 3.219 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@H+](C2CCC2)C1 ZINC000344769835 144222363 /nfs/dbraw/zinc/22/23/63/144222363.db2.gz IODOKWSCFPRKQW-FXAWDEMLSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+](C2CCC2)C1 ZINC000344769835 144222365 /nfs/dbraw/zinc/22/23/65/144222365.db2.gz IODOKWSCFPRKQW-FXAWDEMLSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC[NH+](C2CCC2)C1 ZINC000344769835 144222367 /nfs/dbraw/zinc/22/23/67/144222367.db2.gz IODOKWSCFPRKQW-FXAWDEMLSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351864918 144317491 /nfs/dbraw/zinc/31/74/91/144317491.db2.gz ZSGFMTQEKCNYME-LZLYRXPVSA-N 2 1 337.467 3.350 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351864918 144317492 /nfs/dbraw/zinc/31/74/92/144317492.db2.gz ZSGFMTQEKCNYME-LZLYRXPVSA-N 2 1 337.467 3.350 20 0 EGADMP Clc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000363782283 144365917 /nfs/dbraw/zinc/36/59/17/144365917.db2.gz KNAINJMJLLBLPD-VBQJREDUSA-N 2 1 336.863 3.007 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000118771531 152151553 /nfs/dbraw/zinc/15/15/53/152151553.db2.gz OKXACYDMTCCBBJ-SFHVURJKSA-N 2 1 348.535 3.269 20 0 EGADMP C[C@H](CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000119056371 152170997 /nfs/dbraw/zinc/17/09/97/152170997.db2.gz DDCVDWNVFSHQJD-ZVDOUQERSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000119056371 152170999 /nfs/dbraw/zinc/17/09/99/152170999.db2.gz DDCVDWNVFSHQJD-ZVDOUQERSA-N 2 1 344.547 3.002 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCc3csc(C)n3)cc2)C1 ZINC000120802647 152302514 /nfs/dbraw/zinc/30/25/14/152302514.db2.gz MBNCFXVZGUJFCG-KRWDZBQOSA-N 2 1 345.512 3.462 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)[C@H](C)C1 ZINC000191530076 153203691 /nfs/dbraw/zinc/20/36/91/153203691.db2.gz HFQOOHVQCHRMJQ-DYVFJYSZSA-N 2 1 347.894 3.049 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)[C@H](C)C1 ZINC000191530076 153203694 /nfs/dbraw/zinc/20/36/94/153203694.db2.gz HFQOOHVQCHRMJQ-DYVFJYSZSA-N 2 1 347.894 3.049 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000305618158 154099814 /nfs/dbraw/zinc/09/98/14/154099814.db2.gz FRHQGEDNBMTBLX-LJQANCHMSA-N 2 1 331.435 3.166 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000310068887 154138894 /nfs/dbraw/zinc/13/88/94/154138894.db2.gz CPRGLIIOIZLCOQ-WOJBJXKFSA-N 2 1 328.500 3.447 20 0 EGADMP C[C@@H]([NH2+]CCOCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309932311 154140363 /nfs/dbraw/zinc/14/03/63/154140363.db2.gz WSVLORTVMRWJER-ZBFHGGJFSA-N 2 1 330.394 3.066 20 0 EGADMP COCC1(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000336731199 154212317 /nfs/dbraw/zinc/21/23/17/154212317.db2.gz YOSGUSPKAIUYKF-VQTJNVASSA-N 2 1 328.500 3.257 20 0 EGADMP COCC1(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000336731199 154212319 /nfs/dbraw/zinc/21/23/19/154212319.db2.gz YOSGUSPKAIUYKF-VQTJNVASSA-N 2 1 328.500 3.257 20 0 EGADMP COCC1(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000336731199 154212322 /nfs/dbraw/zinc/21/23/22/154212322.db2.gz YOSGUSPKAIUYKF-VQTJNVASSA-N 2 1 328.500 3.257 20 0 EGADMP Cc1ccc(-n2ccnc2)c(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000337349382 154299351 /nfs/dbraw/zinc/29/93/51/154299351.db2.gz PLKISJDCXWUJJN-QGZVFWFLSA-N 2 1 340.471 3.031 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000337383572 154324258 /nfs/dbraw/zinc/32/42/58/154324258.db2.gz KAIHGIXQFZQITH-SZMVWBNQSA-N 2 1 332.488 3.160 20 0 EGADMP C[N@H+]1CCN(CCC[NH2+][C@H]2CCC23CCC3)[C@@H](c2ccccc2)C1 ZINC000337402676 154334549 /nfs/dbraw/zinc/33/45/49/154334549.db2.gz QPZXEACHHMUGKT-UXHICEINSA-N 2 1 327.516 3.288 20 0 EGADMP CC[C@H](C)C[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000341058505 155130896 /nfs/dbraw/zinc/13/08/96/155130896.db2.gz VRUQWKPQJZPDGY-SFHVURJKSA-N 2 1 345.531 3.007 20 0 EGADMP CC[C@H](C)C[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000341058505 155130897 /nfs/dbraw/zinc/13/08/97/155130897.db2.gz VRUQWKPQJZPDGY-SFHVURJKSA-N 2 1 345.531 3.007 20 0 EGADMP CC[C@H](C)C[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000341058505 155130898 /nfs/dbraw/zinc/13/08/98/155130898.db2.gz VRUQWKPQJZPDGY-SFHVURJKSA-N 2 1 345.531 3.007 20 0 EGADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(-c2ccccc2Cl)n1 ZINC000346823012 156152756 /nfs/dbraw/zinc/15/27/56/156152756.db2.gz JTGXXJFQEMWRMO-XCRHUMRWSA-N 2 1 344.890 3.300 20 0 EGADMP CSc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346847496 156162773 /nfs/dbraw/zinc/16/27/73/156162773.db2.gz PCPMBTZCFIFCOR-GDLCADMTSA-N 2 1 341.318 3.340 20 0 EGADMP CSc1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346847496 156162777 /nfs/dbraw/zinc/16/27/77/156162777.db2.gz PCPMBTZCFIFCOR-GDLCADMTSA-N 2 1 341.318 3.340 20 0 EGADMP FC(F)(F)c1ccccc1[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346980633 156227955 /nfs/dbraw/zinc/22/79/55/156227955.db2.gz MFEKUROZOGPXIU-INIZCTEOSA-N 2 1 328.378 3.078 20 0 EGADMP FC(F)(F)c1ccccc1[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346980633 156227958 /nfs/dbraw/zinc/22/79/58/156227958.db2.gz MFEKUROZOGPXIU-INIZCTEOSA-N 2 1 328.378 3.078 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000347002723 156240838 /nfs/dbraw/zinc/24/08/38/156240838.db2.gz JPFRFJJISAJDGN-MRXNPFEDSA-N 2 1 330.451 3.060 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000347002723 156240842 /nfs/dbraw/zinc/24/08/42/156240842.db2.gz JPFRFJJISAJDGN-MRXNPFEDSA-N 2 1 330.451 3.060 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000359923438 156834478 /nfs/dbraw/zinc/83/44/78/156834478.db2.gz CXUARTLCLYGDPH-ZACQAIPSSA-N 2 1 332.488 3.476 20 0 EGADMP Cc1ccc(NC(=O)CN2CCC[C@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000365623326 157193001 /nfs/dbraw/zinc/19/30/01/157193001.db2.gz GDVXXELCKCQPMC-AWEZNQCLSA-N 2 1 346.862 3.200 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000125970192 162290617 /nfs/dbraw/zinc/29/06/17/162290617.db2.gz SZYAFEFTXKDPKB-ZJOUEHCJSA-N 2 1 344.547 3.002 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H](SC)C2)[C@H](C)C1 ZINC000129293717 162351943 /nfs/dbraw/zinc/35/19/43/162351943.db2.gz HBIRCTAJMJCFQW-ZJPYXAASSA-N 2 1 328.566 3.387 20 0 EGADMP COc1cc(N[C@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)cc(OC)c1 ZINC000129297124 162352216 /nfs/dbraw/zinc/35/22/16/162352216.db2.gz WJDQJWDJBUVHCO-FUHWJXTLSA-N 2 1 347.503 3.064 20 0 EGADMP COc1cc(N[C@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)cc(OC)c1 ZINC000129297124 162352220 /nfs/dbraw/zinc/35/22/20/162352220.db2.gz WJDQJWDJBUVHCO-FUHWJXTLSA-N 2 1 347.503 3.064 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000248463714 163007854 /nfs/dbraw/zinc/00/78/54/163007854.db2.gz ZCMWHGPXSBRKMO-IFMALSPDSA-N 2 1 336.479 3.420 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@H]1CC[NH+]2CCC[C@@H]2C1)C1CC1 ZINC000248567921 163015068 /nfs/dbraw/zinc/01/50/68/163015068.db2.gz PPVCHKPGAGCIEZ-PWRODBHTSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+](Cc1ccccc1)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000248567921 163015070 /nfs/dbraw/zinc/01/50/70/163015070.db2.gz PPVCHKPGAGCIEZ-PWRODBHTSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+](Cc1ccccc1)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000248567921 163015073 /nfs/dbraw/zinc/01/50/73/163015073.db2.gz PPVCHKPGAGCIEZ-PWRODBHTSA-N 2 1 327.516 3.113 20 0 EGADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000248567921 163015077 /nfs/dbraw/zinc/01/50/77/163015077.db2.gz PPVCHKPGAGCIEZ-PWRODBHTSA-N 2 1 327.516 3.113 20 0 EGADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000248567921 163015081 /nfs/dbraw/zinc/01/50/81/163015081.db2.gz PPVCHKPGAGCIEZ-PWRODBHTSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338582884 163282701 /nfs/dbraw/zinc/28/27/01/163282701.db2.gz UJHSNDOBZDUONM-QZTJIDSGSA-N 2 1 343.515 3.133 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC000354375867 166012719 /nfs/dbraw/zinc/01/27/19/166012719.db2.gz IWQDKPUSDIUXFJ-IEBWSBKVSA-N 2 1 343.471 3.082 20 0 EGADMP CC(C)[C@H](O)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000344274408 164143232 /nfs/dbraw/zinc/14/32/32/164143232.db2.gz BJFLLTJFBVWXKV-HOJAQTOUSA-N 2 1 330.516 3.426 20 0 EGADMP CC(C)[C@H](O)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000344274408 164143234 /nfs/dbraw/zinc/14/32/34/164143234.db2.gz BJFLLTJFBVWXKV-HOJAQTOUSA-N 2 1 330.516 3.426 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000345818113 164271559 /nfs/dbraw/zinc/27/15/59/164271559.db2.gz QAXJQJRYEVYQDJ-QGZVFWFLSA-N 2 1 334.508 3.025 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000345818113 164271561 /nfs/dbraw/zinc/27/15/61/164271561.db2.gz QAXJQJRYEVYQDJ-QGZVFWFLSA-N 2 1 334.508 3.025 20 0 EGADMP CC(C)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000345940138 164300097 /nfs/dbraw/zinc/30/00/97/164300097.db2.gz XCGIJIIXOITEGY-HXUWFJFHSA-N 2 1 345.531 3.134 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCO[C@H]2CCCC[C@@H]2C)C1 ZINC000350157079 165013707 /nfs/dbraw/zinc/01/37/07/165013707.db2.gz RBJAOCJNBKAJGT-OTWHNJEPSA-N 2 1 326.525 3.014 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000355405443 166186577 /nfs/dbraw/zinc/18/65/77/166186577.db2.gz AIXZLAITMYNBCZ-CALCHBBNSA-N 2 1 331.504 3.016 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000355405443 166186580 /nfs/dbraw/zinc/18/65/80/166186580.db2.gz AIXZLAITMYNBCZ-CALCHBBNSA-N 2 1 331.504 3.016 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000355405443 166186581 /nfs/dbraw/zinc/18/65/81/166186581.db2.gz AIXZLAITMYNBCZ-CALCHBBNSA-N 2 1 331.504 3.016 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000355733440 166292831 /nfs/dbraw/zinc/29/28/31/166292831.db2.gz LCQKRFQXKPODLO-KRWDZBQOSA-N 2 1 340.508 3.351 20 0 EGADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(Cl)o1 ZINC000358973358 167023266 /nfs/dbraw/zinc/02/32/66/167023266.db2.gz HUTMSPIXFPAYOX-INIZCTEOSA-N 2 1 334.847 3.180 20 0 EGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(Cl)o1 ZINC000358973358 167023269 /nfs/dbraw/zinc/02/32/69/167023269.db2.gz HUTMSPIXFPAYOX-INIZCTEOSA-N 2 1 334.847 3.180 20 0 EGADMP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000359232276 167102455 /nfs/dbraw/zinc/10/24/55/167102455.db2.gz IVEPIKFKXYEQFY-UGKGYDQZSA-N 2 1 336.479 3.339 20 0 EGADMP [NH3+]CCC[N@@H+](CCC(=O)Nc1ccc(F)cc1)Cc1ccccc1 ZINC000359310577 167121864 /nfs/dbraw/zinc/12/18/64/167121864.db2.gz SKZBWTBIOCPRGL-UHFFFAOYSA-N 2 1 329.419 3.005 20 0 EGADMP COCC[NH+]1CCC([NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)CC1 ZINC000360253684 167282694 /nfs/dbraw/zinc/28/26/94/167282694.db2.gz SSAVJXNCXNLPLA-UHFFFAOYSA-N 2 1 329.488 3.294 20 0 EGADMP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360571055 167360832 /nfs/dbraw/zinc/36/08/32/167360832.db2.gz UAFMCXUWLQRBFP-NRFANRHFSA-N 2 1 332.451 3.187 20 0 EGADMP c1ccc(-c2nc3ccccn3c2C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360571055 167360833 /nfs/dbraw/zinc/36/08/33/167360833.db2.gz UAFMCXUWLQRBFP-NRFANRHFSA-N 2 1 332.451 3.187 20 0 EGADMP C[C@H]([NH2+]C1CCN(c2nccs2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000360717874 167396734 /nfs/dbraw/zinc/39/67/34/167396734.db2.gz KDSAZJGEIXQYGR-JKSUJKDBSA-N 2 1 348.560 3.355 20 0 EGADMP CC(C)C(=O)NCCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000367374591 168216634 /nfs/dbraw/zinc/21/66/34/168216634.db2.gz KBERQEHZMQEXSM-UHFFFAOYSA-N 2 1 345.531 3.182 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2)CC1 ZINC000367603464 168248133 /nfs/dbraw/zinc/24/81/33/168248133.db2.gz ZTGDIYQNGWCFSL-XLIONFOSSA-N 2 1 343.515 3.059 20 0 EGADMP CC[NH+](CC)[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)CC(C)C ZINC000367789003 168270247 /nfs/dbraw/zinc/27/02/47/168270247.db2.gz AZDCUIKSWZCIBY-QGZVFWFLSA-N 2 1 338.565 3.458 20 0 EGADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(C)n1 ZINC000165304572 226118957 /nfs/dbraw/zinc/11/89/57/226118957.db2.gz AKYVZRMTANKNMY-UZLBHIALSA-N 2 1 338.499 3.309 20 0 EGADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(C)n1 ZINC000165304572 226118961 /nfs/dbraw/zinc/11/89/61/226118961.db2.gz AKYVZRMTANKNMY-UZLBHIALSA-N 2 1 338.499 3.309 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000179021952 265357512 /nfs/dbraw/zinc/35/75/12/265357512.db2.gz JKLZKMJOWOBZJA-FUHIMQAGSA-N 2 1 346.515 3.032 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000227260271 266199682 /nfs/dbraw/zinc/19/96/82/266199682.db2.gz UDIWRUBCOMIFME-JKSUJKDBSA-N 2 1 327.513 3.096 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000228789933 266202068 /nfs/dbraw/zinc/20/20/68/266202068.db2.gz LWGQUNBCMIOIGJ-MRXNPFEDSA-N 2 1 327.513 3.096 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000228789948 266202449 /nfs/dbraw/zinc/20/24/49/266202449.db2.gz LWGQUNBCMIOIGJ-INIZCTEOSA-N 2 1 327.513 3.096 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000274939607 267309060 /nfs/dbraw/zinc/30/90/60/267309060.db2.gz AYSQCSZOWMYEKG-QZTJIDSGSA-N 2 1 340.870 3.337 20 0 EGADMP C[C@H](COCC(F)(F)F)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274966014 267312505 /nfs/dbraw/zinc/31/25/05/267312505.db2.gz XGZBIBVQTTZCGV-BFYDXBDKSA-N 2 1 344.421 3.454 20 0 EGADMP C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274965993 267312786 /nfs/dbraw/zinc/31/27/86/267312786.db2.gz XGRDQEYUWIZGAP-TXBYWVTISA-N 2 1 336.545 3.034 20 0 EGADMP C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274965993 267312787 /nfs/dbraw/zinc/31/27/87/267312787.db2.gz XGRDQEYUWIZGAP-TXBYWVTISA-N 2 1 336.545 3.034 20 0 EGADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OC(F)F ZINC000275278429 267340798 /nfs/dbraw/zinc/34/07/98/267340798.db2.gz MTJMXJLJDOXXEI-GXTWGEPZSA-N 2 1 328.403 3.069 20 0 EGADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OC(F)F ZINC000275278429 267340801 /nfs/dbraw/zinc/34/08/01/267340801.db2.gz MTJMXJLJDOXXEI-GXTWGEPZSA-N 2 1 328.403 3.069 20 0 EGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000275278429 267340805 /nfs/dbraw/zinc/34/08/05/267340805.db2.gz MTJMXJLJDOXXEI-GXTWGEPZSA-N 2 1 328.403 3.069 20 0 EGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000275278429 267340807 /nfs/dbraw/zinc/34/08/07/267340807.db2.gz MTJMXJLJDOXXEI-GXTWGEPZSA-N 2 1 328.403 3.069 20 0 EGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278412989 268007526 /nfs/dbraw/zinc/00/75/26/268007526.db2.gz FNHRRCBEIDRWPO-RCCFBDPRSA-N 2 1 334.504 3.278 20 0 EGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278412989 268007527 /nfs/dbraw/zinc/00/75/27/268007527.db2.gz FNHRRCBEIDRWPO-RCCFBDPRSA-N 2 1 334.504 3.278 20 0 EGADMP CN1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000278489190 268025015 /nfs/dbraw/zinc/02/50/15/268025015.db2.gz BIMZPVJQFWNTRU-BAGYTPMASA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC(N[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000278489190 268025018 /nfs/dbraw/zinc/02/50/18/268025018.db2.gz BIMZPVJQFWNTRU-BAGYTPMASA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC(N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000278489190 268025020 /nfs/dbraw/zinc/02/50/20/268025020.db2.gz BIMZPVJQFWNTRU-BAGYTPMASA-N 2 1 341.543 3.361 20 0 EGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000278513658 268030219 /nfs/dbraw/zinc/03/02/19/268030219.db2.gz FHEBFMMLXIVCOS-QGZVFWFLSA-N 2 1 345.487 3.024 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000179525064 274340593 /nfs/dbraw/zinc/34/05/93/274340593.db2.gz UGSIAESPZLVESR-UHQDVWGKSA-N 2 1 339.886 3.376 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(OC)c(C)c2)CC1 ZINC000273092137 275245253 /nfs/dbraw/zinc/24/52/53/275245253.db2.gz RQXQJIMHPCOVQC-GOSISDBHSA-N 2 1 333.520 3.072 20 0 EGADMP COc1ccc(CN2CCC(Oc3ccncc3C)CC2)cc1OC ZINC000278757951 275272115 /nfs/dbraw/zinc/27/21/15/275272115.db2.gz SSDRZUXQAWYFRA-UHFFFAOYSA-N 2 1 342.439 3.451 20 0 EGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H]1CCCOc3cc4c(cc31)CCC4)C2 ZINC000278952679 275290744 /nfs/dbraw/zinc/29/07/44/275290744.db2.gz LNBQCMSHTSRLIW-DNVCBOLYSA-N 2 1 337.467 3.438 20 0 EGADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000279045749 275298897 /nfs/dbraw/zinc/29/88/97/275298897.db2.gz XOOJKBKGIIGPLR-STQMWFEESA-N 2 1 349.862 3.467 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000279221795 275313781 /nfs/dbraw/zinc/31/37/81/275313781.db2.gz CWQNQIUXBLACOB-NHCUHLMSSA-N 2 1 326.484 3.159 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000282213190 275611806 /nfs/dbraw/zinc/61/18/06/275611806.db2.gz JKRCTSBGDDYWNK-CYBMUJFWSA-N 2 1 329.473 3.079 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343755190 276096079 /nfs/dbraw/zinc/09/60/79/276096079.db2.gz YGHKVZNLTCGBKV-CQSZACIVSA-N 2 1 346.441 3.350 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343755190 276096081 /nfs/dbraw/zinc/09/60/81/276096081.db2.gz YGHKVZNLTCGBKV-CQSZACIVSA-N 2 1 346.441 3.350 20 0 EGADMP Cc1nn(C)c2sc([C@@H](C)[NH2+]C[C@H]3CCc4[nH+]ccn4C3)cc12 ZINC000287221641 276098080 /nfs/dbraw/zinc/09/80/80/276098080.db2.gz XNTKMJMRYIMIFW-CHWSQXEVSA-N 2 1 329.473 3.053 20 0 EGADMP O[C@@H](Cc1cccc(Cl)c1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000287407545 276116793 /nfs/dbraw/zinc/11/67/93/276116793.db2.gz SDXOUOZZXUJNPO-IBGZPJMESA-N 2 1 336.907 3.194 20 0 EGADMP O[C@H](Cc1cccc(Cl)c1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000287765635 276155221 /nfs/dbraw/zinc/15/52/21/276155221.db2.gz MODMBGDLVJHYAU-DBVUQKKJSA-N 2 1 348.918 3.192 20 0 EGADMP O[C@H](Cc1cccc(Cl)c1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000287765635 276155222 /nfs/dbraw/zinc/15/52/22/276155222.db2.gz MODMBGDLVJHYAU-DBVUQKKJSA-N 2 1 348.918 3.192 20 0 EGADMP O[C@H](Cc1cccc(Cl)c1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000287765635 276155224 /nfs/dbraw/zinc/15/52/24/276155224.db2.gz MODMBGDLVJHYAU-DBVUQKKJSA-N 2 1 348.918 3.192 20 0 EGADMP COc1cc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c(F)cn1 ZINC000287781693 276156729 /nfs/dbraw/zinc/15/67/29/276156729.db2.gz SDRKFIMFYWNQKE-CQSZACIVSA-N 2 1 347.434 3.021 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N[C@H](C)C[NH+]1CCCCCC1)c1ccccc1 ZINC000359314891 276310042 /nfs/dbraw/zinc/31/00/42/276310042.db2.gz DFZQBHHTXWTXPF-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)C[NH+]1CCCCCC1)c1ccccc1 ZINC000359314891 276310044 /nfs/dbraw/zinc/31/00/44/276310044.db2.gz DFZQBHHTXWTXPF-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000289291590 276317064 /nfs/dbraw/zinc/31/70/64/276317064.db2.gz AAUURKHSCASIHF-YDHLFZDLSA-N 2 1 344.421 3.242 20 0 EGADMP C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289291590 276317065 /nfs/dbraw/zinc/31/70/65/276317065.db2.gz AAUURKHSCASIHF-YDHLFZDLSA-N 2 1 344.421 3.242 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1nccc2ccccc21 ZINC000289615509 276366867 /nfs/dbraw/zinc/36/68/67/276366867.db2.gz GOEQZNUMDFEAHF-IAGOWNOFSA-N 2 1 339.483 3.386 20 0 EGADMP COc1ccc(-c2noc(C[N@H+](CCC[NH3+])CC3CCCC3)n2)cc1 ZINC000352503315 277398107 /nfs/dbraw/zinc/39/81/07/277398107.db2.gz FAJNBXQSQUZVJJ-UHFFFAOYSA-N 2 1 344.459 3.086 20 0 EGADMP COc1ccc(-c2noc(C[N@@H+](CCC[NH3+])CC3CCCC3)n2)cc1 ZINC000352503315 277398108 /nfs/dbraw/zinc/39/81/08/277398108.db2.gz FAJNBXQSQUZVJJ-UHFFFAOYSA-N 2 1 344.459 3.086 20 0 EGADMP CCC1(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1 ZINC000363595432 278616820 /nfs/dbraw/zinc/61/68/20/278616820.db2.gz PFXXBLBGLORYAU-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCN(C(=O)[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000358683079 279007307 /nfs/dbraw/zinc/00/73/07/279007307.db2.gz CUXRDNGOCCSQFU-PIKOESSRSA-N 2 1 343.515 3.059 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1)C(C)C ZINC000261872396 279235363 /nfs/dbraw/zinc/23/53/63/279235363.db2.gz SNFXUVZULIODGR-VQIMIIECSA-N 2 1 331.504 3.116 20 0 EGADMP C[C@H]1C[C@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000185224154 280010707 /nfs/dbraw/zinc/01/07/07/280010707.db2.gz HYAPXBDFQNUGCR-LRQRDZAKSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]1C[C@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)C[N@H+]1C1CC1 ZINC000185224154 280010708 /nfs/dbraw/zinc/01/07/08/280010708.db2.gz HYAPXBDFQNUGCR-LRQRDZAKSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]1C[C@H](NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000185224154 280010710 /nfs/dbraw/zinc/01/07/10/280010710.db2.gz HYAPXBDFQNUGCR-LRQRDZAKSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]1C[C@H](NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000185224154 280010711 /nfs/dbraw/zinc/01/07/11/280010711.db2.gz HYAPXBDFQNUGCR-LRQRDZAKSA-N 2 1 327.516 3.112 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000375621405 289296773 /nfs/dbraw/zinc/29/67/73/289296773.db2.gz SHKLPNYMVRSECS-APWZRJJASA-N 2 1 339.524 3.050 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414124767 309062350 /nfs/dbraw/zinc/06/23/50/309062350.db2.gz CLNACVNBWPBFNJ-PXNSSMCTSA-N 2 1 339.483 3.133 20 0 EGADMP C[C@@H](CCn1cccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000158934142 533696962 /nfs/dbraw/zinc/69/69/62/533696962.db2.gz FMSDZHJUOBYVNG-NLWGTHIKSA-N 2 1 326.488 3.304 20 0 EGADMP C[C@@H](CCn1cccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000158934142 533696972 /nfs/dbraw/zinc/69/69/72/533696972.db2.gz FMSDZHJUOBYVNG-NLWGTHIKSA-N 2 1 326.488 3.304 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000248387551 308001824 /nfs/dbraw/zinc/00/18/24/308001824.db2.gz PKNWYEHQWAYPBY-HOTGVXAUSA-N 2 1 327.513 3.096 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000248387551 308001825 /nfs/dbraw/zinc/00/18/25/308001825.db2.gz PKNWYEHQWAYPBY-HOTGVXAUSA-N 2 1 327.513 3.096 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC(C)C)c2ccccc2OC)[C@@H](C)C1 ZINC000248634891 308007960 /nfs/dbraw/zinc/00/79/60/308007960.db2.gz JYTGSWILJIJQIT-XKGZKEIXSA-N 2 1 334.504 3.481 20 0 EGADMP COc1cccc2c1CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000249015422 308016961 /nfs/dbraw/zinc/01/69/61/308016961.db2.gz KBAMJVNCNSDFOV-SCTDSRPQSA-N 2 1 346.515 3.032 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000249087711 308018747 /nfs/dbraw/zinc/01/87/47/308018747.db2.gz GCDAHWRRHKDJMY-SFTDATJTSA-N 2 1 329.532 3.015 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)CC[N@@H+]1C ZINC000252204085 308032302 /nfs/dbraw/zinc/03/23/02/308032302.db2.gz WVQFYRVXITWAGV-OAUYIBNBSA-N 2 1 337.305 3.379 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)CC[N@H+]1C ZINC000252204085 308032303 /nfs/dbraw/zinc/03/23/03/308032303.db2.gz WVQFYRVXITWAGV-OAUYIBNBSA-N 2 1 337.305 3.379 20 0 EGADMP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000293366596 308124320 /nfs/dbraw/zinc/12/43/20/308124320.db2.gz HRKNDTZCARGISP-GJYPPUQNSA-N 2 1 343.446 3.342 20 0 EGADMP Cc1nn(C)cc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000294029820 308184366 /nfs/dbraw/zinc/18/43/66/308184366.db2.gz VPENDOIXNAMIKN-UHFFFAOYSA-N 2 1 338.499 3.217 20 0 EGADMP CCOc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)c1 ZINC000294219394 308201080 /nfs/dbraw/zinc/20/10/80/308201080.db2.gz YSIROMQGKKPNQI-DFNIBXOVSA-N 2 1 332.488 3.159 20 0 EGADMP CCOc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)c1 ZINC000294219394 308201082 /nfs/dbraw/zinc/20/10/82/308201082.db2.gz YSIROMQGKKPNQI-DFNIBXOVSA-N 2 1 332.488 3.159 20 0 EGADMP CCOc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)c1 ZINC000294219394 308201083 /nfs/dbraw/zinc/20/10/83/308201083.db2.gz YSIROMQGKKPNQI-DFNIBXOVSA-N 2 1 332.488 3.159 20 0 EGADMP CCOc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)c1 ZINC000294219394 308201085 /nfs/dbraw/zinc/20/10/85/308201085.db2.gz YSIROMQGKKPNQI-DFNIBXOVSA-N 2 1 332.488 3.159 20 0 EGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000294724726 308249966 /nfs/dbraw/zinc/24/99/66/308249966.db2.gz CUVUHYRTOLSNPP-MIGBEJBISA-N 2 1 329.488 3.235 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc(F)ncc1F ZINC000295588543 308341232 /nfs/dbraw/zinc/34/12/32/308341232.db2.gz DZRCYDHUINBKCQ-RDTXWAMCSA-N 2 1 331.410 3.360 20 0 EGADMP COCC[N@H+](Cc1ccc(F)cc1Cl)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414701223 309096298 /nfs/dbraw/zinc/09/62/98/309096298.db2.gz UKTOLGMJPGFJMO-KGLIPLIRSA-N 2 1 328.859 3.316 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)N1CCC([NH3+])CC1)C1CCCCC1 ZINC000414718118 309097155 /nfs/dbraw/zinc/09/71/55/309097155.db2.gz VIZXUNFFXFYFGA-UHFFFAOYSA-N 2 1 344.503 3.406 20 0 EGADMP Cc1cc(Br)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000414663915 309094354 /nfs/dbraw/zinc/09/43/54/309094354.db2.gz BTQRVJRPJWYHLY-DMDPSCGWSA-N 2 1 329.307 3.378 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000414670753 309094675 /nfs/dbraw/zinc/09/46/75/309094675.db2.gz MMCQVAVYAMEFOM-SNRMKQJTSA-N 2 1 338.499 3.339 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCCN(CCCc3ccccc3)CC2)CC[NH2+]1 ZINC000414673109 309094927 /nfs/dbraw/zinc/09/49/27/309094927.db2.gz QGJDEVORNRXPCH-TZIWHRDSSA-N 2 1 329.532 3.015 20 0 EGADMP CCCC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)c1ccccc1 ZINC000414718907 309097387 /nfs/dbraw/zinc/09/73/87/309097387.db2.gz ZWVFPMOKRVYBPK-ZWKOTPCHSA-N 2 1 331.504 3.047 20 0 EGADMP CCCCOc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OC ZINC000414769373 309099637 /nfs/dbraw/zinc/09/96/37/309099637.db2.gz NIOWMIGBCCLRPW-HDICACEKSA-N 2 1 332.488 3.306 20 0 EGADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000414773754 309100066 /nfs/dbraw/zinc/10/00/66/309100066.db2.gz DZQPTYDSEBWLJE-OLZOCXBDSA-N 2 1 341.268 3.410 20 0 EGADMP CSc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H]3CC[NH2+]C3)C1)OCCO2 ZINC000414777910 309100505 /nfs/dbraw/zinc/10/05/05/309100505.db2.gz IOTLCERJUOMYCG-HUUCEWRRSA-N 2 1 348.512 3.001 20 0 EGADMP COc1cc2[nH+]ccc(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2cc1OC ZINC000298183911 308591042 /nfs/dbraw/zinc/59/10/42/308591042.db2.gz GUYIRVYTQQKRBF-CYBMUJFWSA-N 2 1 338.411 3.359 20 0 EGADMP C[NH+](C)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000298478522 308618019 /nfs/dbraw/zinc/61/80/19/308618019.db2.gz PICJSMORYGBJAT-FQEVSTJZSA-N 3 1 330.520 3.151 20 0 EGADMP Clc1ccc(OCc2cccnc2)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414837010 309104720 /nfs/dbraw/zinc/10/47/20/309104720.db2.gz VIAHSAKPCGIDAI-OAHLLOKOSA-N 2 1 345.874 3.403 20 0 EGADMP CCCOc1ccc(Br)cc1C[NH2+]C[C@@H](C)C[NH2+]C ZINC000414842063 309104927 /nfs/dbraw/zinc/10/49/27/309104927.db2.gz OUMGGBOXXOUQPV-LBPRGKRZSA-N 2 1 329.282 3.183 20 0 EGADMP [NH3+][C@@H](C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1)C1CC1 ZINC000414896600 309108001 /nfs/dbraw/zinc/10/80/01/309108001.db2.gz POGCXXUTMJVEMB-LBPRGKRZSA-N 2 1 337.183 3.295 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414913304 309108859 /nfs/dbraw/zinc/10/88/59/309108859.db2.gz WCLRBXRWJRPQPV-SFHVURJKSA-N 2 1 332.879 3.313 20 0 EGADMP CSc1cc(Br)ccc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000414946653 309110715 /nfs/dbraw/zinc/11/07/15/309110715.db2.gz UPJKDCRBLZEQLZ-UHFFFAOYSA-N 2 1 329.307 3.403 20 0 EGADMP CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414951025 309111004 /nfs/dbraw/zinc/11/10/04/309111004.db2.gz PLQTZKHBZZQMKI-JSGCOSHPSA-N 2 1 326.868 3.368 20 0 EGADMP COc1ccc(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1F ZINC000415079390 309118937 /nfs/dbraw/zinc/11/89/37/309118937.db2.gz KAULOTDOWFKGKM-HKUYNNGSSA-N 2 1 328.431 3.460 20 0 EGADMP COc1ccc(C2(C[NH2+][C@@H]3CCC[NH2+]C3)CCCCC2)cc1OC ZINC000415082633 309119090 /nfs/dbraw/zinc/11/90/90/309119090.db2.gz DIMXXYCRNJBYEY-QGZVFWFLSA-N 2 1 332.488 3.247 20 0 EGADMP COCCOc1ccccc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415081345 309119098 /nfs/dbraw/zinc/11/90/98/309119098.db2.gz MSRHODHIDSFXJL-PMACEKPBSA-N 2 1 340.467 3.295 20 0 EGADMP FC(F)(F)COc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415084591 309119185 /nfs/dbraw/zinc/11/91/85/309119185.db2.gz OXDQEZKYZGNOOP-QLFBSQMISA-N 2 1 343.393 3.033 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1C[NH3+] ZINC000415132836 309122802 /nfs/dbraw/zinc/12/28/02/309122802.db2.gz URALULKFWGGXPM-WMZOPIPTSA-N 2 1 325.456 3.077 20 0 EGADMP Clc1scc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1Cl ZINC000415143264 309123517 /nfs/dbraw/zinc/12/35/17/309123517.db2.gz SMKJURVWDMSMFP-NEPJUHHUSA-N 2 1 347.311 3.255 20 0 EGADMP Clc1scc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1Cl ZINC000415143264 309123518 /nfs/dbraw/zinc/12/35/18/309123518.db2.gz SMKJURVWDMSMFP-NEPJUHHUSA-N 2 1 347.311 3.255 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000415966844 309151800 /nfs/dbraw/zinc/15/18/00/309151800.db2.gz ARDHGTMVSDZBIR-HNNXBMFYSA-N 2 1 332.492 3.038 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(C[NH2+]C)cc2)C1 ZINC000415977437 309152446 /nfs/dbraw/zinc/15/24/46/309152446.db2.gz YHCPQOBBAHHUME-INIZCTEOSA-N 2 1 346.519 3.428 20 0 EGADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000416962544 309188099 /nfs/dbraw/zinc/18/80/99/309188099.db2.gz AQMNTAGAEMOQPO-IBGZPJMESA-N 2 1 348.535 3.042 20 0 EGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417710821 309219199 /nfs/dbraw/zinc/21/91/99/309219199.db2.gz XVPFXSATSARSAU-RBUKOAKNSA-N 2 1 346.519 3.030 20 0 EGADMP C[C@@H](C[NH3+])Nc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000420249859 309278071 /nfs/dbraw/zinc/27/80/71/309278071.db2.gz SOWHUIPBHHXXRV-LBPRGKRZSA-N 2 1 341.484 3.179 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420293637 309279606 /nfs/dbraw/zinc/27/96/06/309279606.db2.gz RKEZEBXVZNUHEX-LPHOPBHVSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420293637 309279607 /nfs/dbraw/zinc/27/96/07/309279607.db2.gz RKEZEBXVZNUHEX-LPHOPBHVSA-N 2 1 325.456 3.220 20 0 EGADMP Clc1ccc(O[C@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000420303418 309280556 /nfs/dbraw/zinc/28/05/56/309280556.db2.gz NIGNKRCJYCONQD-OCCSQVGLSA-N 2 1 329.271 3.446 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC000420309958 309280964 /nfs/dbraw/zinc/28/09/64/309280964.db2.gz UNQGATBOWZPUCY-HNNXBMFYSA-N 2 1 330.394 3.402 20 0 EGADMP C[N@@H+](CCOc1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420317276 309281412 /nfs/dbraw/zinc/28/14/12/309281412.db2.gz MTUBQAOXXSNRTI-PBWFPOADSA-N 2 1 339.277 3.043 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000420323455 309282400 /nfs/dbraw/zinc/28/24/00/309282400.db2.gz UHVAJFOBXKEOKH-FKBYEOEOSA-N 2 1 338.495 3.015 20 0 EGADMP COC(=O)c1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(C)s1 ZINC000420324404 309282415 /nfs/dbraw/zinc/28/24/15/309282415.db2.gz ZQAFUFBXZUFCAQ-SJORKVTESA-N 2 1 344.480 3.017 20 0 EGADMP Fc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420328918 309282597 /nfs/dbraw/zinc/28/25/97/309282597.db2.gz NLSAXYVTTZXJHH-HOTGVXAUSA-N 2 1 329.419 3.302 20 0 EGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330559 309282704 /nfs/dbraw/zinc/28/27/04/309282704.db2.gz AUSRNHVGWBZSGS-ROUUACIJSA-N 2 1 325.456 3.472 20 0 EGADMP FC(F)n1c2ccccc2nc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420338133 309282993 /nfs/dbraw/zinc/28/29/93/309282993.db2.gz OWHCVCYWYPINBZ-AWEZNQCLSA-N 2 1 334.414 3.395 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336648 309283008 /nfs/dbraw/zinc/28/30/08/309283008.db2.gz IZADOGIBMDCONK-MSOLQXFVSA-N 2 1 343.515 3.378 20 0 EGADMP Clc1cccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420345336 309283474 /nfs/dbraw/zinc/28/34/74/309283474.db2.gz VWJWWJOJZBZSJE-HUUCEWRRSA-N 2 1 346.862 3.212 20 0 EGADMP [NH3+]C[C@H]([NH2+]CCC(=O)N[C@H]1CCCc2ccccc21)C1CCCCC1 ZINC000420368636 309284590 /nfs/dbraw/zinc/28/45/90/309284590.db2.gz NVRKKBDZYKDFLW-PMACEKPBSA-N 2 1 343.515 3.068 20 0 EGADMP CCn1ccnc1[C@@H]1CCCC[N@@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420372743 309284704 /nfs/dbraw/zinc/28/47/04/309284704.db2.gz LXOJKMGWACAXQN-MJGOQNOKSA-N 2 1 342.487 3.181 20 0 EGADMP CCn1ccnc1[C@@H]1CCCC[N@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420372743 309284705 /nfs/dbraw/zinc/28/47/05/309284705.db2.gz LXOJKMGWACAXQN-MJGOQNOKSA-N 2 1 342.487 3.181 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)[C@H]1C ZINC000420926461 309301622 /nfs/dbraw/zinc/30/16/22/309301622.db2.gz NGVVBEFBCRZZDY-NVXWUHKLSA-N 2 1 335.492 3.414 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)[C@H]1C ZINC000420926461 309301623 /nfs/dbraw/zinc/30/16/23/309301623.db2.gz NGVVBEFBCRZZDY-NVXWUHKLSA-N 2 1 335.492 3.414 20 0 EGADMP CSC[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420971857 309305206 /nfs/dbraw/zinc/30/52/06/309305206.db2.gz LCCMZIXCXNDXPM-IBGZPJMESA-N 2 1 334.529 3.094 20 0 EGADMP CSC[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420971857 309305207 /nfs/dbraw/zinc/30/52/07/309305207.db2.gz LCCMZIXCXNDXPM-IBGZPJMESA-N 2 1 334.529 3.094 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)CCc3ccccc3)CC2)CC1 ZINC000420985617 309305990 /nfs/dbraw/zinc/30/59/90/309305990.db2.gz WMTSFKWVHBDFBE-FQEVSTJZSA-N 2 1 343.559 3.500 20 0 EGADMP CCOc1ccccc1C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421018340 309307986 /nfs/dbraw/zinc/30/79/86/309307986.db2.gz WZGLCXXGANLPLI-UHFFFAOYSA-N 2 1 345.531 3.077 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(C)c3F)CC2)CC1 ZINC000421366619 309320828 /nfs/dbraw/zinc/32/08/28/309320828.db2.gz CUSRLDGKWCPNAT-UHFFFAOYSA-N 2 1 333.495 3.126 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3C(C)=CCC[C@@H]3C)CC2)CC1 ZINC000421372693 309321307 /nfs/dbraw/zinc/32/13/07/309321307.db2.gz LIJSMJNSCWPSPZ-PZJWPPBQSA-N 2 1 333.564 3.471 20 0 EGADMP COC1([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCOCC1 ZINC000421399268 309322890 /nfs/dbraw/zinc/32/28/90/309322890.db2.gz HRRFIYZPLAAOJW-HOTGVXAUSA-N 2 1 343.471 3.415 20 0 EGADMP COC1([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)CCCCC1 ZINC000421815498 309341190 /nfs/dbraw/zinc/34/11/90/309341190.db2.gz MUBVVPJUIPDGIA-GOSISDBHSA-N 2 1 346.515 3.346 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(OCc3ccccn3)c2)C[C@H]1C[NH3+] ZINC000422560166 309361619 /nfs/dbraw/zinc/36/16/19/309361619.db2.gz FYNVZCMERSQKAF-ZHALLVOQSA-N 2 1 339.483 3.466 20 0 EGADMP Cc1nc(COc2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)cc2)cs1 ZINC000422560368 309361731 /nfs/dbraw/zinc/36/17/31/309361731.db2.gz GPIOBHQASFPAQA-UHFFFAOYSA-N 2 1 343.496 3.358 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@@H]1C[NH3+] ZINC000422625219 309362773 /nfs/dbraw/zinc/36/27/73/309362773.db2.gz AYORSRNILLZLSX-INMHGKMJSA-N 2 1 325.456 3.084 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@@H]1C[NH3+] ZINC000422625219 309362774 /nfs/dbraw/zinc/36/27/74/309362774.db2.gz AYORSRNILLZLSX-INMHGKMJSA-N 2 1 325.456 3.084 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCCC3=O)cc2)c2ccccc21 ZINC000422710452 309364117 /nfs/dbraw/zinc/36/41/17/309364117.db2.gz FUBNHRJZDRKJLJ-UXHICEINSA-N 2 1 335.451 3.043 20 0 EGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000422709695 309364157 /nfs/dbraw/zinc/36/41/57/309364157.db2.gz ZPSGOCNSFOIUSR-DYVFJYSZSA-N 2 1 346.858 3.159 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422718775 309364640 /nfs/dbraw/zinc/36/46/40/309364640.db2.gz QAXYSIQIXODZME-CIAFKFPVSA-N 3 1 341.543 3.061 20 0 EGADMP c1ccc(CC[N@@H+]2CC[C@H](CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422718775 309364641 /nfs/dbraw/zinc/36/46/41/309364641.db2.gz QAXYSIQIXODZME-CIAFKFPVSA-N 2 1 341.543 3.061 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422718775 309364642 /nfs/dbraw/zinc/36/46/42/309364642.db2.gz QAXYSIQIXODZME-CIAFKFPVSA-N 2 1 341.543 3.061 20 0 EGADMP c1ccc(C[NH+]2CCCCCC2)c(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422719157 309364828 /nfs/dbraw/zinc/36/48/28/309364828.db2.gz XQSACBIOFCRSHY-WCRBZPEASA-N 2 1 327.516 3.435 20 0 EGADMP [NH3+][C@@H]1C[C@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000422721636 309364831 /nfs/dbraw/zinc/36/48/31/309364831.db2.gz VWEAJSRKTPYDQJ-QIJUGHKUSA-N 2 1 335.495 3.285 20 0 EGADMP COc1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1OC1CCCC1 ZINC000422726480 309365212 /nfs/dbraw/zinc/36/52/12/309365212.db2.gz DZIFJOHGQMLPKL-CRAIPNDOSA-N 2 1 332.488 3.494 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422774356 309367746 /nfs/dbraw/zinc/36/77/46/309367746.db2.gz WSEXBURWTUTDRE-LMNJBCLMSA-N 2 1 343.515 3.096 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422774356 309367747 /nfs/dbraw/zinc/36/77/47/309367747.db2.gz WSEXBURWTUTDRE-LMNJBCLMSA-N 3 1 343.515 3.096 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422774356 309367748 /nfs/dbraw/zinc/36/77/48/309367748.db2.gz WSEXBURWTUTDRE-LMNJBCLMSA-N 3 1 343.515 3.096 20 0 EGADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@@H]3CCCCN3)CC2)cc1 ZINC000422784378 309367996 /nfs/dbraw/zinc/36/79/96/309367996.db2.gz PNZIHKRSIUMJHO-UWJYYQICSA-N 2 1 345.531 3.027 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000422805185 309369351 /nfs/dbraw/zinc/36/93/51/309369351.db2.gz IREVOFCQRPNANA-BHIFYINESA-N 2 1 341.543 3.335 20 0 EGADMP c1ccc2c(c1)CC[N@H+](CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000422805185 309369352 /nfs/dbraw/zinc/36/93/52/309369352.db2.gz IREVOFCQRPNANA-BHIFYINESA-N 2 1 341.543 3.335 20 0 EGADMP CC[C@@H](C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)[N@@H+](C)Cc1ccccc1 ZINC000422888498 309374478 /nfs/dbraw/zinc/37/44/78/309374478.db2.gz NBAUWFAPNMJHHV-UZLBHIALSA-N 2 1 339.483 3.233 20 0 EGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000422965126 309378708 /nfs/dbraw/zinc/37/87/08/309378708.db2.gz NUFKNEKDAQYRLT-IIBYNOLFSA-N 2 1 334.467 3.135 20 0 EGADMP CCC(CC)[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N(C)C ZINC000422965682 309378757 /nfs/dbraw/zinc/37/87/57/309378757.db2.gz PJZOCPNQWHAYJN-ZJOUEHCJSA-N 2 1 345.531 3.198 20 0 EGADMP Cn1c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc2cccc(Cl)c21 ZINC000423053963 309383437 /nfs/dbraw/zinc/38/34/37/309383437.db2.gz SRTSKHPABBPLBI-AEGPPILISA-N 2 1 332.879 3.237 20 0 EGADMP CCn1ccnc1[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)C1CCOCC1 ZINC000423112101 309386440 /nfs/dbraw/zinc/38/64/40/309386440.db2.gz XBVHSMWTDMLOIG-QXAKKESOSA-N 2 1 348.535 3.271 20 0 EGADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423114798 309386690 /nfs/dbraw/zinc/38/66/90/309386690.db2.gz WMCRPHCLCZBJJV-WCQYABFASA-N 2 1 332.366 3.072 20 0 EGADMP [NH3+]CC1CCC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423139096 309387974 /nfs/dbraw/zinc/38/79/74/309387974.db2.gz KHRKIQLAEFVVQR-VEDCXYSMSA-N 3 1 329.532 3.396 20 0 EGADMP Clc1cc(Br)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423190443 309389723 /nfs/dbraw/zinc/38/97/23/309389723.db2.gz RTZQBQMOFCKRIG-PBWFPOADSA-N 2 1 329.669 3.475 20 0 EGADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1OC ZINC000423268922 309393368 /nfs/dbraw/zinc/39/33/68/309393368.db2.gz VIFZOOLKXVUYAO-QAPCUYQASA-N 2 1 334.504 3.440 20 0 EGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423268949 309393422 /nfs/dbraw/zinc/39/34/22/309393422.db2.gz VJIYXHSRTZZNCU-OXQOHEQNSA-N 3 1 333.520 3.185 20 0 EGADMP C[C@@H](N[C@H](C[NH3+])C1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423268949 309393423 /nfs/dbraw/zinc/39/34/23/309393423.db2.gz VJIYXHSRTZZNCU-OXQOHEQNSA-N 2 1 333.520 3.185 20 0 EGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423274299 309393516 /nfs/dbraw/zinc/39/35/16/309393516.db2.gz LUNJRWCQHGRFGC-MJUUVYJYSA-N 3 1 329.532 3.122 20 0 EGADMP C[NH2+]C[C@H](C)CN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423274299 309393517 /nfs/dbraw/zinc/39/35/17/309393517.db2.gz LUNJRWCQHGRFGC-MJUUVYJYSA-N 2 1 329.532 3.122 20 0 EGADMP C[NH2+]C[C@H](C)CN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423274299 309393518 /nfs/dbraw/zinc/39/35/18/309393518.db2.gz LUNJRWCQHGRFGC-MJUUVYJYSA-N 2 1 329.532 3.122 20 0 EGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423274300 309393577 /nfs/dbraw/zinc/39/35/77/309393577.db2.gz LUNJRWCQHGRFGC-OYNPSCLESA-N 3 1 329.532 3.122 20 0 EGADMP C[NH2+]C[C@H](C)CN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423274300 309393578 /nfs/dbraw/zinc/39/35/78/309393578.db2.gz LUNJRWCQHGRFGC-OYNPSCLESA-N 2 1 329.532 3.122 20 0 EGADMP C[NH2+]C[C@H](C)CN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423274300 309393579 /nfs/dbraw/zinc/39/35/79/309393579.db2.gz LUNJRWCQHGRFGC-OYNPSCLESA-N 2 1 329.532 3.122 20 0 EGADMP COCCC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Br)cc1 ZINC000423313338 309394876 /nfs/dbraw/zinc/39/48/76/309394876.db2.gz FOJQLRUWBHIFMA-HOTGVXAUSA-N 2 1 341.293 3.244 20 0 EGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)C2CCSCC2)cc1 ZINC000423317985 309395013 /nfs/dbraw/zinc/39/50/13/309395013.db2.gz BLNCPQCFMFBROR-ZOCIIQOWSA-N 2 1 334.529 3.262 20 0 EGADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423322629 309395212 /nfs/dbraw/zinc/39/52/12/309395212.db2.gz NZTHMYZOEKFSPP-OWQGQXMQSA-N 2 1 336.451 3.162 20 0 EGADMP CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[C@H](C)[NH3+] ZINC000423347223 309396334 /nfs/dbraw/zinc/39/63/34/309396334.db2.gz ZWRCYFKQKOIAPD-ZWOKBUDYSA-N 2 1 345.531 3.297 20 0 EGADMP C[C@H](CC1CCOCC1)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423358623 309396851 /nfs/dbraw/zinc/39/68/51/309396851.db2.gz BZYVVBGRHBCUIC-NRXGSXMXSA-N 2 1 338.442 3.205 20 0 EGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423364283 309397211 /nfs/dbraw/zinc/39/72/11/309397211.db2.gz BBLCSXSTYZJPLM-SOLBZPMBSA-N 2 1 331.504 3.092 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000423383596 309397881 /nfs/dbraw/zinc/39/78/81/309397881.db2.gz KKZNDFTWAXKQJR-QGLKVJOYSA-N 3 1 327.516 3.147 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000423383596 309397882 /nfs/dbraw/zinc/39/78/82/309397882.db2.gz KKZNDFTWAXKQJR-QGLKVJOYSA-N 2 1 327.516 3.147 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000423383596 309397883 /nfs/dbraw/zinc/39/78/83/309397883.db2.gz KKZNDFTWAXKQJR-QGLKVJOYSA-N 2 1 327.516 3.147 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000423388193 309398231 /nfs/dbraw/zinc/39/82/31/309398231.db2.gz NFQFUGSBPSSKIV-VGSWGCGISA-N 3 1 335.495 3.433 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000423388193 309398232 /nfs/dbraw/zinc/39/82/32/309398232.db2.gz NFQFUGSBPSSKIV-VGSWGCGISA-N 3 1 335.495 3.433 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000423412560 309399139 /nfs/dbraw/zinc/39/91/39/309399139.db2.gz XDJCYYMHXVNCCK-SJORKVTESA-N 2 1 337.467 3.053 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000423412560 309399140 /nfs/dbraw/zinc/39/91/40/309399140.db2.gz XDJCYYMHXVNCCK-SJORKVTESA-N 2 1 337.467 3.053 20 0 EGADMP Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423438828 309400396 /nfs/dbraw/zinc/40/03/96/309400396.db2.gz NMLKAPBOQPKRCE-RCCFBDPRSA-N 2 1 344.890 3.141 20 0 EGADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc2cc(OC)ccc2c1 ZINC000423498297 309403136 /nfs/dbraw/zinc/40/31/36/309403136.db2.gz BPRXPGMMHNDVBU-WOJBJXKFSA-N 2 1 328.456 3.268 20 0 EGADMP c1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)CCC3)cc1 ZINC000423501802 309403375 /nfs/dbraw/zinc/40/33/75/309403375.db2.gz DUGZBCFMTYEXIG-CVEARBPZSA-N 2 1 343.496 3.156 20 0 EGADMP CCCc1csc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000426415026 309506793 /nfs/dbraw/zinc/50/67/93/309506793.db2.gz YDEGLRCRKDXGOP-UHFFFAOYSA-N 2 1 337.533 3.030 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443600035 309904313 /nfs/dbraw/zinc/90/43/13/309904313.db2.gz KVVUMPPCWVGBLH-FQEVSTJZSA-N 2 1 344.499 3.489 20 0 EGADMP Cn1ccnc1[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(F)c1 ZINC000446885515 309970080 /nfs/dbraw/zinc/97/00/80/309970080.db2.gz XGYWTOXLABOPBJ-IBGZPJMESA-N 2 1 342.462 3.113 20 0 EGADMP CCOC(=O)c1cc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)[nH]c1C ZINC000449084232 310035621 /nfs/dbraw/zinc/03/56/21/310035621.db2.gz XCVTUGXXKZOGIS-HNNXBMFYSA-N 2 1 335.492 3.244 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449106458 310037542 /nfs/dbraw/zinc/03/75/42/310037542.db2.gz MFTFYAQZTRHQAB-OAHLLOKOSA-N 2 1 330.451 3.048 20 0 EGADMP COc1nccc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC000449109562 310037929 /nfs/dbraw/zinc/03/79/29/310037929.db2.gz ZIOFASAZFMGPCE-UHFFFAOYSA-N 2 1 340.471 3.151 20 0 EGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCC12CCC2 ZINC000449233763 310046484 /nfs/dbraw/zinc/04/64/84/310046484.db2.gz MXXDITHDOPKDCN-PMACEKPBSA-N 2 1 328.500 3.456 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(OC)c2)C1 ZINC000450459092 310124000 /nfs/dbraw/zinc/12/40/00/310124000.db2.gz ZOXGXXVQTHZDMQ-MRXNPFEDSA-N 2 1 340.895 3.281 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000450858067 310146317 /nfs/dbraw/zinc/14/63/17/310146317.db2.gz SFWNVHHIZMMPHK-HKUYNNGSSA-N 2 1 329.488 3.322 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000450858067 310146318 /nfs/dbraw/zinc/14/63/18/310146318.db2.gz SFWNVHHIZMMPHK-HKUYNNGSSA-N 2 1 329.488 3.322 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)CC1 ZINC000451411076 310176667 /nfs/dbraw/zinc/17/66/67/310176667.db2.gz UMUXVAMKDRUOLZ-HOTGVXAUSA-N 2 1 335.458 3.065 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451697898 310192858 /nfs/dbraw/zinc/19/28/58/310192858.db2.gz IVADLDQVYMISFM-IMFGXOCKSA-N 2 1 325.456 3.164 20 0 EGADMP O[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453173281 310262294 /nfs/dbraw/zinc/26/22/94/310262294.db2.gz OEAAPYFYJGSRCL-ONUIULTDSA-N 2 1 328.500 3.323 20 0 EGADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453184281 310262969 /nfs/dbraw/zinc/26/29/69/310262969.db2.gz UOFSWDDUMRKRCU-MJUUVYJYSA-N 2 1 330.516 3.428 20 0 EGADMP OC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C1CC1 ZINC000453208078 310264136 /nfs/dbraw/zinc/26/41/36/310264136.db2.gz AJWTZLVOHGDOTO-BQJUDKOJSA-N 2 1 328.500 3.038 20 0 EGADMP OCC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453350125 310272343 /nfs/dbraw/zinc/27/23/43/310272343.db2.gz PDNAZRZBVDUBIR-AQNXPRMDSA-N 2 1 328.500 3.182 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1cccc(OCC[NH+](C)C)c1 ZINC000453375697 310273571 /nfs/dbraw/zinc/27/35/71/310273571.db2.gz YEHSBHKCBDIOJK-RLFYNMQTSA-N 2 1 328.460 3.180 20 0 EGADMP CC(C)[C@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@H+]1C ZINC000455870263 310380362 /nfs/dbraw/zinc/38/03/62/310380362.db2.gz XADKCNLZPLTBHV-RTBURBONSA-N 2 1 344.503 3.039 20 0 EGADMP CCC[N@@H+](CC)CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455937445 310382822 /nfs/dbraw/zinc/38/28/22/310382822.db2.gz SMPPAUJZQILYPK-SFHVURJKSA-N 2 1 332.492 3.089 20 0 EGADMP C[C@@H](NCC(C)(C)C[NH+]1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000477908469 310851500 /nfs/dbraw/zinc/85/15/00/310851500.db2.gz BKGTVZKUMWFFRX-GOSISDBHSA-N 2 1 347.547 3.400 20 0 EGADMP C[C@H](NCC[NH+]1CCC(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492349847 311240972 /nfs/dbraw/zinc/24/09/72/311240972.db2.gz HRDRHWJCGQGNOW-FPOVZHCZSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CCN1CCC(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492349847 311240973 /nfs/dbraw/zinc/24/09/73/311240973.db2.gz HRDRHWJCGQGNOW-FPOVZHCZSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CCN1CCC(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492349847 311240974 /nfs/dbraw/zinc/24/09/74/311240974.db2.gz HRDRHWJCGQGNOW-FPOVZHCZSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](NCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000492353042 311241009 /nfs/dbraw/zinc/24/10/09/311241009.db2.gz QLABYVNVVYVSQU-DYXWJJEUSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](NCC[NH+]1CCC[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492353042 311241010 /nfs/dbraw/zinc/24/10/10/311241010.db2.gz QLABYVNVVYVSQU-DYXWJJEUSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](NCC[NH+]1CCC[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492353042 311241011 /nfs/dbraw/zinc/24/10/11/311241011.db2.gz QLABYVNVVYVSQU-DYXWJJEUSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CCN1CCC[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492353042 311241013 /nfs/dbraw/zinc/24/10/13/311241013.db2.gz QLABYVNVVYVSQU-DYXWJJEUSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CCN1CCC[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492353042 311241015 /nfs/dbraw/zinc/24/10/15/311241015.db2.gz QLABYVNVVYVSQU-DYXWJJEUSA-N 2 1 329.532 3.219 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1CN[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508722199 312100886 /nfs/dbraw/zinc/10/08/86/312100886.db2.gz RLASPVPVOSFYOW-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCCC[C@@H]1CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722199 312100889 /nfs/dbraw/zinc/10/08/89/312100889.db2.gz RLASPVPVOSFYOW-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCCC[C@@H]1CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722199 312100891 /nfs/dbraw/zinc/10/08/91/312100891.db2.gz RLASPVPVOSFYOW-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP CCN1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722199 312100893 /nfs/dbraw/zinc/10/08/93/312100893.db2.gz RLASPVPVOSFYOW-HMXCVIKNSA-N 3 1 329.532 3.361 20 0 EGADMP CCN1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722199 312100895 /nfs/dbraw/zinc/10/08/95/312100895.db2.gz RLASPVPVOSFYOW-HMXCVIKNSA-N 3 1 329.532 3.361 20 0 EGADMP CC(C)CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000511619463 312164494 /nfs/dbraw/zinc/16/44/94/312164494.db2.gz ZENPLHMPDJZVGJ-UHFFFAOYSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1cc(C)cc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000512697359 312192819 /nfs/dbraw/zinc/19/28/19/312192819.db2.gz QJFAFHYLADVNRD-BGYRXZFFSA-N 2 1 329.532 3.294 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000515385751 312280373 /nfs/dbraw/zinc/28/03/73/312280373.db2.gz ALVFIODBOZCESO-RLLQIKCJSA-N 2 1 349.563 3.397 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(C)c1OC ZINC000515556604 312289435 /nfs/dbraw/zinc/28/94/35/312289435.db2.gz LZSQXDYWTNOADQ-NVXWUHKLSA-N 2 1 334.504 3.263 20 0 EGADMP Cc1nn(C)c2ncc(C[NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cc12 ZINC000516878634 312347900 /nfs/dbraw/zinc/34/79/00/312347900.db2.gz QQHGTCLYWBNNMK-RHSMWYFYSA-N 2 1 341.503 3.019 20 0 EGADMP CCc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000517525126 312381917 /nfs/dbraw/zinc/38/19/17/312381917.db2.gz LVTTZUBHYDJOCQ-IBGZPJMESA-N 2 1 343.540 3.389 20 0 EGADMP Cn1cc2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc2n1 ZINC000527762120 312934934 /nfs/dbraw/zinc/93/49/34/312934934.db2.gz KCRSIAFZGUTGOD-UHFFFAOYSA-N 2 1 326.488 3.460 20 0 EGADMP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530243403 313504688 /nfs/dbraw/zinc/50/46/88/313504688.db2.gz XYTPWQQXMGRPQG-HOCLYGCPSA-N 2 1 335.492 3.124 20 0 EGADMP CCCCO[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1(C)C ZINC000539497440 314317199 /nfs/dbraw/zinc/31/71/99/314317199.db2.gz WOYRSDSVEIDIRM-ROUUACIJSA-N 2 1 338.536 3.205 20 0 EGADMP CC[N@H+](CCC1CC[NH+](Cc2nnc(C3CC3)o2)CC1)CC1CC1 ZINC000540049602 314360191 /nfs/dbraw/zinc/36/01/91/314360191.db2.gz GOYCEOMJRVZWBF-UHFFFAOYSA-N 2 1 332.492 3.281 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2nnc(C3CC3)o2)CC1)CC1CC1 ZINC000540049602 314360197 /nfs/dbraw/zinc/36/01/97/314360197.db2.gz GOYCEOMJRVZWBF-UHFFFAOYSA-N 2 1 332.492 3.281 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000540139884 314364866 /nfs/dbraw/zinc/36/48/66/314364866.db2.gz GZXFGPRZMZOXNC-LNLFQRSKSA-N 2 1 326.488 3.371 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC)C2(CC)CC)[C@H](C)C1 ZINC000540157348 314366217 /nfs/dbraw/zinc/36/62/17/314366217.db2.gz WXMJZQZHUWMBPA-FCGDIQPGSA-N 2 1 340.552 3.307 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000540178085 314367548 /nfs/dbraw/zinc/36/75/48/314367548.db2.gz PVXBGQPMIIWHDS-KBPBESRZSA-N 2 1 326.444 3.063 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CN[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000552098652 315198032 /nfs/dbraw/zinc/19/80/32/315198032.db2.gz KQNYLTFASRUXID-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CCC[C@H]1CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552098652 315198034 /nfs/dbraw/zinc/19/80/34/315198034.db2.gz KQNYLTFASRUXID-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CCC[C@H]1CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000552098652 315198037 /nfs/dbraw/zinc/19/80/37/315198037.db2.gz KQNYLTFASRUXID-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCC[NH+]1CCCCC1 ZINC000554843380 315351885 /nfs/dbraw/zinc/35/18/85/315351885.db2.gz NSADPNNEPYFYAB-HXUWFJFHSA-N 2 1 329.532 3.363 20 0 EGADMP COc1ccc(C[N@@H+](CCc2ccncc2C)[C@H](CO)C(C)C)cc1 ZINC000563532914 316033762 /nfs/dbraw/zinc/03/37/62/316033762.db2.gz WJCVYJFEUULCOX-OAQYLSRUSA-N 2 1 342.483 3.460 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](CN[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000564319469 316135379 /nfs/dbraw/zinc/13/53/79/316135379.db2.gz SNOLSPAYLBNFMQ-JBACZVJFSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@@H](CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000564319469 316135381 /nfs/dbraw/zinc/13/53/81/316135381.db2.gz SNOLSPAYLBNFMQ-JBACZVJFSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@@H](CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000564319469 316135385 /nfs/dbraw/zinc/13/53/85/316135385.db2.gz SNOLSPAYLBNFMQ-JBACZVJFSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000564319469 316135388 /nfs/dbraw/zinc/13/53/88/316135388.db2.gz SNOLSPAYLBNFMQ-JBACZVJFSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000564319469 316135390 /nfs/dbraw/zinc/13/53/90/316135390.db2.gz SNOLSPAYLBNFMQ-JBACZVJFSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000564319469 316135394 /nfs/dbraw/zinc/13/53/94/316135394.db2.gz SNOLSPAYLBNFMQ-JBACZVJFSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000564319469 316135396 /nfs/dbraw/zinc/13/53/96/316135396.db2.gz SNOLSPAYLBNFMQ-JBACZVJFSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000565082467 316262212 /nfs/dbraw/zinc/26/22/12/316262212.db2.gz DYZNCSCKWJACKD-ZGGTZUKQSA-N 2 1 341.499 3.139 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000565246204 316298965 /nfs/dbraw/zinc/29/89/65/316298965.db2.gz YVQAPYRTCKXVEC-LBPRGKRZSA-N 2 1 337.265 3.480 20 0 EGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000565527106 316335917 /nfs/dbraw/zinc/33/59/17/316335917.db2.gz FKOMYXWLLGSNQX-FQEVSTJZSA-N 2 1 344.547 3.114 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000565690423 316355815 /nfs/dbraw/zinc/35/58/15/316355815.db2.gz TXBDLEIXEXEJKA-SYYKKAFVSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000565690423 316355819 /nfs/dbraw/zinc/35/58/19/316355819.db2.gz TXBDLEIXEXEJKA-SYYKKAFVSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000565690423 316355821 /nfs/dbraw/zinc/35/58/21/316355821.db2.gz TXBDLEIXEXEJKA-SYYKKAFVSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000565690423 316355823 /nfs/dbraw/zinc/35/58/23/316355823.db2.gz TXBDLEIXEXEJKA-SYYKKAFVSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000565690423 316355825 /nfs/dbraw/zinc/35/58/25/316355825.db2.gz TXBDLEIXEXEJKA-SYYKKAFVSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000565770156 316368102 /nfs/dbraw/zinc/36/81/02/316368102.db2.gz HHFSVZRIUWYHJP-GXTWGEPZSA-N 2 1 343.393 3.106 20 0 EGADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](CC(N)=O)c2ccccc2)CC1 ZINC000569516572 316925393 /nfs/dbraw/zinc/92/53/93/316925393.db2.gz KLKHGMPAYAIKIJ-VDGAXYAQSA-N 2 1 343.515 3.236 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccnc1Cl ZINC000178035931 454928993 /nfs/dbraw/zinc/92/89/93/454928993.db2.gz NMVVJQNVECMMBQ-ZNMIVQPWSA-N 2 1 325.884 3.275 20 0 EGADMP COc1cc(C[N@@H+](C)CCC[NH3+])ccc1OCc1ccc(F)cc1 ZINC000570841282 317115878 /nfs/dbraw/zinc/11/58/78/317115878.db2.gz DWICNIBXLQDBPE-UHFFFAOYSA-N 2 1 332.419 3.194 20 0 EGADMP C[C@@H]1C[C@@H](NCc2n[nH]c(C(C)(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000571288567 317179007 /nfs/dbraw/zinc/17/90/07/317179007.db2.gz QGWSPAHFUGVWFI-WBVHZDCISA-N 2 1 341.503 3.245 20 0 EGADMP COCC1(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000571325838 317183227 /nfs/dbraw/zinc/18/32/27/317183227.db2.gz VCPNMMQMIHTJEY-HSALFYBXSA-N 2 1 328.500 3.303 20 0 EGADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000571493043 317206416 /nfs/dbraw/zinc/20/64/16/317206416.db2.gz ZACMTLQZYSXTQL-SFHVURJKSA-N 2 1 346.519 3.091 20 0 EGADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000571493043 317206418 /nfs/dbraw/zinc/20/64/18/317206418.db2.gz ZACMTLQZYSXTQL-SFHVURJKSA-N 2 1 346.519 3.091 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000572009957 317279054 /nfs/dbraw/zinc/27/90/54/317279054.db2.gz FHZLVVZPZSQBCV-HNAYVOBHSA-N 2 1 325.456 3.174 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000284938249 455764600 /nfs/dbraw/zinc/76/46/00/455764600.db2.gz WNECGEXUIUAOOE-INIZCTEOSA-N 2 1 349.276 3.480 20 0 EGADMP Fc1cc(Br)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250757601 455788852 /nfs/dbraw/zinc/78/88/52/455788852.db2.gz RPHOUFZAMJVDHD-GJZGRUSLSA-N 2 1 327.241 3.305 20 0 EGADMP Fc1cc(Br)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250757601 455788859 /nfs/dbraw/zinc/78/88/59/455788859.db2.gz RPHOUFZAMJVDHD-GJZGRUSLSA-N 2 1 327.241 3.305 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000174516311 323307446 /nfs/dbraw/zinc/30/74/46/323307446.db2.gz DNLOHQDKYZOMJP-TZMCWYRMSA-N 2 1 326.868 3.320 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000174516311 323307451 /nfs/dbraw/zinc/30/74/51/323307451.db2.gz DNLOHQDKYZOMJP-TZMCWYRMSA-N 2 1 326.868 3.320 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)[C@H](C)C1 ZINC000177870053 323346726 /nfs/dbraw/zinc/34/67/26/323346726.db2.gz RGFXADUSJZYPMT-DYESRHJHSA-N 2 1 340.515 3.433 20 0 EGADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000177870165 323346890 /nfs/dbraw/zinc/34/68/90/323346890.db2.gz OBEIEOGPCHYGTL-CSODHUTKSA-N 2 1 340.515 3.432 20 0 EGADMP CC(C)c1cnc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000183104262 323595618 /nfs/dbraw/zinc/59/56/18/323595618.db2.gz OTLWSYOACMKITM-UHFFFAOYSA-N 2 1 337.533 3.343 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379665088 324240098 /nfs/dbraw/zinc/24/00/98/324240098.db2.gz RHRSWWJRAAAAJZ-MDNKFWRPSA-N 2 1 343.515 3.063 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000382731085 324252508 /nfs/dbraw/zinc/25/25/08/324252508.db2.gz BAKFVUDVFUGJOX-IEBWSBKVSA-N 2 1 345.531 3.134 20 0 EGADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)O1 ZINC000383747914 324257280 /nfs/dbraw/zinc/25/72/80/324257280.db2.gz ZCVISPXQAVXIOW-YSTOQKLRSA-N 2 1 328.500 3.444 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000579129372 325067648 /nfs/dbraw/zinc/06/76/48/325067648.db2.gz WHCRCCNKRWHKCM-RBUKOAKNSA-N 2 1 327.472 3.271 20 0 EGADMP O=C(CC[NH2+]CCC[N@@H+]1CCc2ccccc2C1)Nc1ccccc1 ZINC000579328438 325094762 /nfs/dbraw/zinc/09/47/62/325094762.db2.gz ILTATCSEWUWNDV-UHFFFAOYSA-N 2 1 337.467 3.053 20 0 EGADMP O=C(CC[NH2+]CCC[N@H+]1CCc2ccccc2C1)Nc1ccccc1 ZINC000579328438 325094764 /nfs/dbraw/zinc/09/47/64/325094764.db2.gz ILTATCSEWUWNDV-UHFFFAOYSA-N 2 1 337.467 3.053 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000579335182 325096264 /nfs/dbraw/zinc/09/62/64/325096264.db2.gz LKEWVRHMJKLWOD-QZTJIDSGSA-N 2 1 333.451 3.069 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000579335182 325096268 /nfs/dbraw/zinc/09/62/68/325096268.db2.gz LKEWVRHMJKLWOD-QZTJIDSGSA-N 2 1 333.451 3.069 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CC[N@H+]1C ZINC000180707455 455231747 /nfs/dbraw/zinc/23/17/47/455231747.db2.gz BFOVVUUFIPVNES-DOMZBBRYSA-N 2 1 334.851 3.005 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000157830775 455236967 /nfs/dbraw/zinc/23/69/67/455236967.db2.gz ZXEWYPGHPNGOCX-QZTJIDSGSA-N 2 1 326.488 3.477 20 0 EGADMP CN(CC[N@@H+](C)C/C=C/c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000189775197 455240115 /nfs/dbraw/zinc/24/01/15/455240115.db2.gz UUDRPKPPWYEDDX-SNAWJCMRSA-N 2 1 335.923 3.311 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000242389672 455271278 /nfs/dbraw/zinc/27/12/78/455271278.db2.gz ZZLFPKOPDFSOQE-HXUWFJFHSA-N 2 1 343.515 3.384 20 0 EGADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000158233323 455283052 /nfs/dbraw/zinc/28/30/52/455283052.db2.gz AZTVGBZPRAEXEO-OLZOCXBDSA-N 2 1 326.868 3.350 20 0 EGADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000158233323 455283056 /nfs/dbraw/zinc/28/30/56/455283056.db2.gz AZTVGBZPRAEXEO-OLZOCXBDSA-N 2 1 326.868 3.350 20 0 EGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631845876 460578703 /nfs/dbraw/zinc/57/87/03/460578703.db2.gz MXBHYJVRSNJIKW-RDTXWAMCSA-N 2 1 327.476 3.042 20 0 EGADMP CC[N@@H+](CCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)C(C)C ZINC000081397529 453868992 /nfs/dbraw/zinc/86/89/92/453868992.db2.gz DUIFQBGLEXLYML-UHFFFAOYSA-N 2 1 326.444 3.285 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000081568983 453888812 /nfs/dbraw/zinc/88/88/12/453888812.db2.gz XIEPYXRZLZAOOA-HNNXBMFYSA-N 2 1 337.895 3.332 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000081568983 453888814 /nfs/dbraw/zinc/88/88/14/453888814.db2.gz XIEPYXRZLZAOOA-HNNXBMFYSA-N 2 1 337.895 3.332 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000081568983 453888817 /nfs/dbraw/zinc/88/88/17/453888817.db2.gz XIEPYXRZLZAOOA-HNNXBMFYSA-N 2 1 337.895 3.332 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000081633624 453898791 /nfs/dbraw/zinc/89/87/91/453898791.db2.gz RJXIMCYTKLHMFA-INIZCTEOSA-N 2 1 349.906 3.332 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000081633624 453898795 /nfs/dbraw/zinc/89/87/95/453898795.db2.gz RJXIMCYTKLHMFA-INIZCTEOSA-N 2 1 349.906 3.332 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000081633624 453898797 /nfs/dbraw/zinc/89/87/97/453898797.db2.gz RJXIMCYTKLHMFA-INIZCTEOSA-N 2 1 349.906 3.332 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1Br ZINC000040622927 453953502 /nfs/dbraw/zinc/95/35/02/453953502.db2.gz FGMNHYJYBKFLTG-CQSZACIVSA-N 2 1 341.293 3.278 20 0 EGADMP COC(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)o1 ZINC000057889333 454155186 /nfs/dbraw/zinc/15/51/86/454155186.db2.gz CVAIXIFWPLDUTK-UHFFFAOYSA-N 2 1 334.460 3.154 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCCC2)cc1 ZINC000089593020 454165133 /nfs/dbraw/zinc/16/51/33/454165133.db2.gz NKONLUKIPXYZAU-HOTGVXAUSA-N 2 1 340.471 3.232 20 0 EGADMP OC1CC[NH+](Cc2ccc(CNc3cc[nH+]cc3Cl)cc2)CC1 ZINC000095408607 454205351 /nfs/dbraw/zinc/20/53/51/454205351.db2.gz CNTIVIFYQJTGKF-UHFFFAOYSA-N 2 1 331.847 3.304 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]CCC[N@@H+]3CCCC[C@@H]3C)c(C)n2n1 ZINC000120143240 454264139 /nfs/dbraw/zinc/26/41/39/454264139.db2.gz BCQBLWHFFKZXRV-HOTGVXAUSA-N 2 1 329.492 3.261 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]CCC[N@H+]3CCCC[C@@H]3C)c(C)n2n1 ZINC000120143240 454264141 /nfs/dbraw/zinc/26/41/41/454264141.db2.gz BCQBLWHFFKZXRV-HOTGVXAUSA-N 2 1 329.492 3.261 20 0 EGADMP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000090522368 454316174 /nfs/dbraw/zinc/31/61/74/454316174.db2.gz BMNWXZMCYOALBP-SNRMKQJTSA-N 2 1 332.488 3.114 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000132371530 454333013 /nfs/dbraw/zinc/33/30/13/454333013.db2.gz NWLGPPSJYFNSBB-HXUWFJFHSA-N 2 1 345.531 3.260 20 0 EGADMP CC(C)[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000078966292 454346293 /nfs/dbraw/zinc/34/62/93/454346293.db2.gz IIKNGYJDGIRLEM-KRWDZBQOSA-N 2 1 339.524 3.096 20 0 EGADMP CC1(C)CC([NH2+]Cc2cnn(Cc3ccccc3)c2)CC(C)(C)[NH2+]1 ZINC000061554960 454346389 /nfs/dbraw/zinc/34/63/89/454346389.db2.gz YDANIQSCPXNYIG-UHFFFAOYSA-N 2 1 326.488 3.330 20 0 EGADMP O[C@H](C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C[NH+]1CCCC1 ZINC000091306336 454424966 /nfs/dbraw/zinc/42/49/66/454424966.db2.gz RYIWPFTWAXWAMS-IAGOWNOFSA-N 2 1 342.405 3.203 20 0 EGADMP C[C@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)Cn1ccnc1 ZINC000080197740 454548587 /nfs/dbraw/zinc/54/85/87/454548587.db2.gz JWWCSMSWEQVTAY-GOSISDBHSA-N 2 1 328.504 3.267 20 0 EGADMP CCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000246247535 455457377 /nfs/dbraw/zinc/45/73/77/455457377.db2.gz NNZZVLPWULTDSF-IAGOWNOFSA-N 2 1 331.504 3.065 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)c1ccsc1 ZINC000104144409 454576662 /nfs/dbraw/zinc/57/66/62/454576662.db2.gz XIAQPSJFCCSVGC-IRXDYDNUSA-N 2 1 337.533 3.122 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000123197813 454614535 /nfs/dbraw/zinc/61/45/35/454614535.db2.gz KFQBOZBXTKTGSE-LSDHHAIUSA-N 2 1 329.488 3.354 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000123197813 454614537 /nfs/dbraw/zinc/61/45/37/454614537.db2.gz KFQBOZBXTKTGSE-LSDHHAIUSA-N 2 1 329.488 3.354 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)N(C)c2ccccc2)CC1 ZINC000134996504 454622179 /nfs/dbraw/zinc/62/21/79/454622179.db2.gz CQCTWRDAYKVSOY-UHFFFAOYSA-N 2 1 345.531 3.483 20 0 EGADMP CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000135158953 454639604 /nfs/dbraw/zinc/63/96/04/454639604.db2.gz YJIOKEYBOPQVQH-MOPGFXCFSA-N 2 1 330.472 3.168 20 0 EGADMP CC(C)OC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000135158953 454639610 /nfs/dbraw/zinc/63/96/10/454639610.db2.gz YJIOKEYBOPQVQH-MOPGFXCFSA-N 2 1 330.472 3.168 20 0 EGADMP CC(C)OC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000135158953 454639616 /nfs/dbraw/zinc/63/96/16/454639616.db2.gz YJIOKEYBOPQVQH-MOPGFXCFSA-N 2 1 330.472 3.168 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000152652213 454706187 /nfs/dbraw/zinc/70/61/87/454706187.db2.gz XZLFZFIRXVMOFG-CZUORRHYSA-N 2 1 337.895 3.297 20 0 EGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H](c2cccs2)C2CCCC2)C1 ZINC000093405496 454712905 /nfs/dbraw/zinc/71/29/05/454712905.db2.gz VXXNFYMPPQPKMS-WMZOPIPTSA-N 2 1 349.544 3.156 20 0 EGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)o1 ZINC000136232991 454731037 /nfs/dbraw/zinc/73/10/37/454731037.db2.gz DNAWAZJYJJXNNL-PBHICJAKSA-N 2 1 329.444 3.028 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161973842 454741839 /nfs/dbraw/zinc/74/18/39/454741839.db2.gz UTPZUAAACOTXMZ-SJORKVTESA-N 2 1 339.524 3.240 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161973842 454741843 /nfs/dbraw/zinc/74/18/43/454741843.db2.gz UTPZUAAACOTXMZ-SJORKVTESA-N 2 1 339.524 3.240 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000162162690 454755699 /nfs/dbraw/zinc/75/56/99/454755699.db2.gz FXWMPLCUJXFKOS-BBRMVZONSA-N 2 1 337.305 3.411 20 0 EGADMP CN(C(=O)CC(C)(C)C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124850876 454776567 /nfs/dbraw/zinc/77/65/67/454776567.db2.gz NGIAOFBTTNVZBI-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP COc1ccc(C[N@H+](C)CC[C@@H]2CCC[NH+]2C)cc1OC(F)F ZINC000124892787 454780135 /nfs/dbraw/zinc/78/01/35/454780135.db2.gz MZBGFZUDDOHBPB-AWEZNQCLSA-N 2 1 328.403 3.213 20 0 EGADMP COc1ccc(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1OC(F)F ZINC000124892787 454780137 /nfs/dbraw/zinc/78/01/37/454780137.db2.gz MZBGFZUDDOHBPB-AWEZNQCLSA-N 2 1 328.403 3.213 20 0 EGADMP COc1ccc(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cc1OC(F)F ZINC000124892787 454780140 /nfs/dbraw/zinc/78/01/40/454780140.db2.gz MZBGFZUDDOHBPB-AWEZNQCLSA-N 2 1 328.403 3.213 20 0 EGADMP COc1ccc(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)cc1OC(F)F ZINC000124892787 454780146 /nfs/dbraw/zinc/78/01/46/454780146.db2.gz MZBGFZUDDOHBPB-AWEZNQCLSA-N 2 1 328.403 3.213 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC1([NH+]2CCSCC2)CCCCC1 ZINC000163032298 454818281 /nfs/dbraw/zinc/81/82/81/454818281.db2.gz RYVMYWNGOSKCAO-KURKYZTESA-N 2 1 339.593 3.056 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000163032298 454818282 /nfs/dbraw/zinc/81/82/82/454818282.db2.gz RYVMYWNGOSKCAO-KURKYZTESA-N 2 1 339.593 3.056 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000163032298 454818283 /nfs/dbraw/zinc/81/82/83/454818283.db2.gz RYVMYWNGOSKCAO-KURKYZTESA-N 2 1 339.593 3.056 20 0 EGADMP CCOc1ccccc1N1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000125435683 454821245 /nfs/dbraw/zinc/82/12/45/454821245.db2.gz OGBUKIAJRUJEIC-UHFFFAOYSA-N 2 1 342.487 3.193 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cc(Br)cn1C ZINC000163272561 454835440 /nfs/dbraw/zinc/83/54/40/454835440.db2.gz YMQHHIKXCSXSRU-UHFFFAOYSA-N 2 1 339.281 3.205 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cc(Br)cn1C ZINC000163272561 454835445 /nfs/dbraw/zinc/83/54/45/454835445.db2.gz YMQHHIKXCSXSRU-UHFFFAOYSA-N 2 1 339.281 3.205 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000125735565 454843248 /nfs/dbraw/zinc/84/32/48/454843248.db2.gz SOBIBVVFGMZKDZ-RBUKOAKNSA-N 3 1 347.547 3.398 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000125735565 454843253 /nfs/dbraw/zinc/84/32/53/454843253.db2.gz SOBIBVVFGMZKDZ-RBUKOAKNSA-N 2 1 347.547 3.398 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000125735565 454843255 /nfs/dbraw/zinc/84/32/55/454843255.db2.gz SOBIBVVFGMZKDZ-RBUKOAKNSA-N 2 1 347.547 3.398 20 0 EGADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)c2)CC1 ZINC000126421277 454892613 /nfs/dbraw/zinc/89/26/13/454892613.db2.gz KQRIAAGCBGEEMF-NQIIRXRSSA-N 3 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCN(C)[C@H](C)C3)c2)CC1 ZINC000126421277 454892617 /nfs/dbraw/zinc/89/26/17/454892617.db2.gz KQRIAAGCBGEEMF-NQIIRXRSSA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2cccc(CN[C@H]3CC[N@H+](C)[C@H](C)C3)c2)CC1 ZINC000126421277 454892620 /nfs/dbraw/zinc/89/26/20/454892620.db2.gz KQRIAAGCBGEEMF-NQIIRXRSSA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2cccc(CN[C@H]3CC[N@@H+](C)[C@H](C)C3)c2)CC1 ZINC000126421277 454892625 /nfs/dbraw/zinc/89/26/25/454892625.db2.gz KQRIAAGCBGEEMF-NQIIRXRSSA-N 2 1 329.532 3.491 20 0 EGADMP CCn1cc([C@H](C)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000165320202 454897673 /nfs/dbraw/zinc/89/76/73/454897673.db2.gz LFRWTNSMEIVYKP-PKOBYXMFSA-N 2 1 326.488 3.118 20 0 EGADMP CCn1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000165320202 454897676 /nfs/dbraw/zinc/89/76/76/454897676.db2.gz LFRWTNSMEIVYKP-PKOBYXMFSA-N 2 1 326.488 3.118 20 0 EGADMP CCn1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000165320202 454897680 /nfs/dbraw/zinc/89/76/80/454897680.db2.gz LFRWTNSMEIVYKP-PKOBYXMFSA-N 2 1 326.488 3.118 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)C(C)(C)c2ccccc2)CC1 ZINC000154453671 454898116 /nfs/dbraw/zinc/89/81/16/454898116.db2.gz WTDBMVSHWLUTIX-IBGZPJMESA-N 2 1 331.548 3.360 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)CC[N@H+]1C ZINC000177917731 454919656 /nfs/dbraw/zinc/91/96/56/454919656.db2.gz SPJLEVANDMGAON-YJBOKZPZSA-N 2 1 336.907 3.461 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)c2cccn2C)CC1 ZINC000151170472 454947140 /nfs/dbraw/zinc/94/71/40/454947140.db2.gz HJUPLMBFZXZRSU-KRWDZBQOSA-N 2 1 331.504 3.184 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)c2cccn2C)CC1 ZINC000151170472 454947142 /nfs/dbraw/zinc/94/71/42/454947142.db2.gz HJUPLMBFZXZRSU-KRWDZBQOSA-N 2 1 331.504 3.184 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000127286819 454951309 /nfs/dbraw/zinc/95/13/09/454951309.db2.gz RDNROCVSFXXZFZ-AWEZNQCLSA-N 2 1 336.476 3.237 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccccc1Cl ZINC000178816779 454981114 /nfs/dbraw/zinc/98/11/14/454981114.db2.gz YVIDPZFOOXYPPH-QZTJIDSGSA-N 2 1 345.874 3.149 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCc2cc(Br)ccc2F)CC[N@H+]1C ZINC000155366015 454992035 /nfs/dbraw/zinc/99/20/35/454992035.db2.gz UMSUKFMDHRRBLV-FZMZJTMJSA-N 2 1 329.257 3.203 20 0 EGADMP c1ccc(-c2noc([C@@H]3CCCC[N@@H+]3CC3CC[NH2+]CC3)n2)cc1 ZINC000178971932 454994672 /nfs/dbraw/zinc/99/46/72/454994672.db2.gz SSJMDABOGKEOME-KRWDZBQOSA-N 2 1 326.444 3.263 20 0 EGADMP Fc1cc(Br)cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000128120040 455026778 /nfs/dbraw/zinc/02/67/78/455026778.db2.gz RPHOUFZAMJVDHD-LSDHHAIUSA-N 2 1 327.241 3.305 20 0 EGADMP Fc1cc(Br)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000128120040 455026781 /nfs/dbraw/zinc/02/67/81/455026781.db2.gz RPHOUFZAMJVDHD-LSDHHAIUSA-N 2 1 327.241 3.305 20 0 EGADMP Fc1cc(Br)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000128120040 455026784 /nfs/dbraw/zinc/02/67/84/455026784.db2.gz RPHOUFZAMJVDHD-LSDHHAIUSA-N 2 1 327.241 3.305 20 0 EGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)c(Cl)c1 ZINC000128445034 455057113 /nfs/dbraw/zinc/05/71/13/455057113.db2.gz YDJAYNZJJRPVDU-CQSZACIVSA-N 2 1 327.875 3.157 20 0 EGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000129099862 455097410 /nfs/dbraw/zinc/09/74/10/455097410.db2.gz SDHIRDPATHCEFN-CMPLNLGQSA-N 2 1 330.259 3.134 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000129267351 455104573 /nfs/dbraw/zinc/10/45/73/455104573.db2.gz UVWVDUPHZSHFLS-ULQDDVLXSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000129267351 455104574 /nfs/dbraw/zinc/10/45/74/455104574.db2.gz UVWVDUPHZSHFLS-ULQDDVLXSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000129267351 455104575 /nfs/dbraw/zinc/10/45/75/455104575.db2.gz UVWVDUPHZSHFLS-ULQDDVLXSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000623655617 460664088 /nfs/dbraw/zinc/66/40/88/460664088.db2.gz ALDJICTVKPHSMY-AWEZNQCLSA-N 2 1 338.879 3.323 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000623655617 460664093 /nfs/dbraw/zinc/66/40/93/460664093.db2.gz ALDJICTVKPHSMY-AWEZNQCLSA-N 2 1 338.879 3.323 20 0 EGADMP CC(C)[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000263964954 455174292 /nfs/dbraw/zinc/17/42/92/455174292.db2.gz RETZCBYARSVGFV-INIZCTEOSA-N 2 1 349.544 3.150 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(Br)s1 ZINC000237360003 455177303 /nfs/dbraw/zinc/17/73/03/455177303.db2.gz NJYYZHXSNKLCSM-JTQLQIEISA-N 2 1 328.279 3.441 20 0 EGADMP CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OCC ZINC000158590719 455315088 /nfs/dbraw/zinc/31/50/88/455315088.db2.gz CHLGGWLFSQZJFV-MSOLQXFVSA-N 2 1 332.488 3.400 20 0 EGADMP CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OCC ZINC000158590719 455315092 /nfs/dbraw/zinc/31/50/92/455315092.db2.gz CHLGGWLFSQZJFV-MSOLQXFVSA-N 2 1 332.488 3.400 20 0 EGADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1OCC ZINC000158590719 455315096 /nfs/dbraw/zinc/31/50/96/455315096.db2.gz CHLGGWLFSQZJFV-MSOLQXFVSA-N 2 1 332.488 3.400 20 0 EGADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1OCC ZINC000158590719 455315098 /nfs/dbraw/zinc/31/50/98/455315098.db2.gz CHLGGWLFSQZJFV-MSOLQXFVSA-N 2 1 332.488 3.400 20 0 EGADMP C[N@H+]1CCC[C@H]2CN(Cc3nc(-c4cccc(Cl)c4)no3)CC[C@@H]21 ZINC000158730000 455325781 /nfs/dbraw/zinc/32/57/81/455325781.db2.gz XXRZZPYTEUZZOC-HOCLYGCPSA-N 2 1 346.862 3.306 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000158834195 455331282 /nfs/dbraw/zinc/33/12/82/455331282.db2.gz XSCLOLQPNMVUCV-QUCCMNQESA-N 2 1 338.536 3.159 20 0 EGADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245606426 455340148 /nfs/dbraw/zinc/34/01/48/455340148.db2.gz NHRYMRIKZVLFFW-JTDSTZFVSA-N 2 1 340.471 3.356 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000181536561 455350997 /nfs/dbraw/zinc/35/09/97/455350997.db2.gz PSHDMTSDYCNUKR-VKRLORBYSA-N 2 1 346.515 3.384 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000181536561 455350999 /nfs/dbraw/zinc/35/09/99/455350999.db2.gz PSHDMTSDYCNUKR-VKRLORBYSA-N 2 1 346.515 3.384 20 0 EGADMP Cc1nccn1CCC[N@H+](C)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000159214121 455362403 /nfs/dbraw/zinc/36/24/03/455362403.db2.gz CHLAILBRKUDRBU-LBPRGKRZSA-N 2 1 331.445 3.386 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000159214121 455362407 /nfs/dbraw/zinc/36/24/07/455362407.db2.gz CHLAILBRKUDRBU-LBPRGKRZSA-N 2 1 331.445 3.386 20 0 EGADMP Cc1cncc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000184485974 455388005 /nfs/dbraw/zinc/38/80/05/455388005.db2.gz ALDAYYFXJPBEDL-DYESRHJHSA-N 2 1 339.483 3.198 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C12CCCC2 ZINC000181851613 455388918 /nfs/dbraw/zinc/38/89/18/455388918.db2.gz KGKHDVUWTMCWRF-RTBURBONSA-N 2 1 338.536 3.203 20 0 EGADMP CC[C@@]1(C)C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000191148434 455452818 /nfs/dbraw/zinc/45/28/18/455452818.db2.gz YOAYFOAPSFZETI-NRFANRHFSA-N 2 1 345.531 3.218 20 0 EGADMP C[C@H](C(=O)NCC1CCCCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247027008 455547208 /nfs/dbraw/zinc/54/72/08/455547208.db2.gz YDIPTMCRSMYJIF-KPFFTGBYSA-N 2 1 347.547 3.020 20 0 EGADMP CCc1oc(C(=O)OC)cc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247039142 455549050 /nfs/dbraw/zinc/54/90/50/455549050.db2.gz YTUPJDOUANBUOP-WMLDXEAASA-N 2 1 346.471 3.077 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000247082822 455556860 /nfs/dbraw/zinc/55/68/60/455556860.db2.gz NPEZKDBALGIONO-YYIAUSFCSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000247082822 455556862 /nfs/dbraw/zinc/55/68/62/455556862.db2.gz NPEZKDBALGIONO-YYIAUSFCSA-N 2 1 339.524 3.142 20 0 EGADMP CCC(CC)(CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000601019074 460677783 /nfs/dbraw/zinc/67/77/83/460677783.db2.gz GRAZZTPWHGAIDT-HKUYNNGSSA-N 2 1 345.531 3.497 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CC(C)(C)OC3(C)C)c2)CCO1 ZINC000247097091 455558735 /nfs/dbraw/zinc/55/87/35/455558735.db2.gz PUMNGDHIWXCANM-LPHOPBHVSA-N 2 1 346.515 3.343 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CC(C)(C)OC3(C)C)c2)CCO1 ZINC000247097091 455558737 /nfs/dbraw/zinc/55/87/37/455558737.db2.gz PUMNGDHIWXCANM-LPHOPBHVSA-N 2 1 346.515 3.343 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000247127510 455563604 /nfs/dbraw/zinc/56/36/04/455563604.db2.gz RNEWWALFUONOAF-QZTJIDSGSA-N 3 1 333.520 3.010 20 0 EGADMP CCC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000247127510 455563610 /nfs/dbraw/zinc/56/36/10/455563610.db2.gz RNEWWALFUONOAF-QZTJIDSGSA-N 2 1 333.520 3.010 20 0 EGADMP CCC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000247127510 455563614 /nfs/dbraw/zinc/56/36/14/455563614.db2.gz RNEWWALFUONOAF-QZTJIDSGSA-N 2 1 333.520 3.010 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(O)cc(F)c3)CC2)oc1C ZINC000185531281 455574274 /nfs/dbraw/zinc/57/42/74/455574274.db2.gz FVODWMROMOIUAI-UHFFFAOYSA-N 2 1 347.434 3.138 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185708327 455601990 /nfs/dbraw/zinc/60/19/90/455601990.db2.gz SEVKRNZLZHXBJN-LPMFXHHGSA-N 2 1 338.442 3.241 20 0 EGADMP CCc1oc(C(=O)OC)cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185726010 455608021 /nfs/dbraw/zinc/60/80/21/455608021.db2.gz RPVWUYDVRQGOPB-LSDHHAIUSA-N 2 1 348.487 3.371 20 0 EGADMP CCc1oc(C(=O)OC)cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185726010 455608024 /nfs/dbraw/zinc/60/80/24/455608024.db2.gz RPVWUYDVRQGOPB-LSDHHAIUSA-N 2 1 348.487 3.371 20 0 EGADMP COc1ccc(OCC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185758704 455615721 /nfs/dbraw/zinc/61/57/21/455615721.db2.gz ISOZWNCKUMYNII-SJORKVTESA-N 2 1 332.488 3.317 20 0 EGADMP C[C@H]([NH2+]CC(=O)NCCC1=CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185756371 455615828 /nfs/dbraw/zinc/61/58/28/455615828.db2.gz JXNSCXBWZFQJTK-HKUYNNGSSA-N 2 1 347.547 3.236 20 0 EGADMP C[C@H]([NH2+]CC(=O)NCCC1=CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185756371 455615833 /nfs/dbraw/zinc/61/58/33/455615833.db2.gz JXNSCXBWZFQJTK-HKUYNNGSSA-N 2 1 347.547 3.236 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1cscn1 ZINC000284173833 455645197 /nfs/dbraw/zinc/64/51/97/455645197.db2.gz AAFGPDOIYARNMH-AWEZNQCLSA-N 2 1 331.485 3.467 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)s1 ZINC000271488471 455656888 /nfs/dbraw/zinc/65/68/88/455656888.db2.gz JYCYOEAPVFCQDD-YUTCNCBUSA-N 2 1 328.909 3.430 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc(F)c(F)c(F)c1 ZINC000271500678 455661102 /nfs/dbraw/zinc/66/11/02/455661102.db2.gz LWFOHIJMCFVNDX-MZPVMMEZSA-N 2 1 342.405 3.132 20 0 EGADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000271508794 455664999 /nfs/dbraw/zinc/66/49/99/455664999.db2.gz NLCZMUCYQIZIBI-GBESFXJTSA-N 2 1 348.462 3.007 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc2ccccc2n1 ZINC000271518854 455669648 /nfs/dbraw/zinc/66/96/48/455669648.db2.gz PFUYDKPCARKDQX-IWMITWMQSA-N 2 1 339.483 3.263 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Br)cs2)CCCO1 ZINC000277890392 455698474 /nfs/dbraw/zinc/69/84/74/455698474.db2.gz OLCNVYWBMRCUQZ-LBPRGKRZSA-N 2 1 347.322 3.101 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cnccc3C)CC2)nc(C)[nH+]1 ZINC000271565924 455685781 /nfs/dbraw/zinc/68/57/81/455685781.db2.gz OTDNPSBPGDORSY-OAHLLOKOSA-N 2 1 325.460 3.116 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Br)cs2)CCCO1 ZINC000277890392 455698468 /nfs/dbraw/zinc/69/84/68/455698468.db2.gz OLCNVYWBMRCUQZ-LBPRGKRZSA-N 2 1 347.322 3.101 20 0 EGADMP CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC[C@@H]3CCCC[N@@H+]3C)ccc2NC1=O ZINC000271714699 455731155 /nfs/dbraw/zinc/73/11/55/455731155.db2.gz KGIGNBRVXMYJKQ-ZVZYQTTQSA-N 2 1 345.487 3.321 20 0 EGADMP CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC[C@@H]3CCCC[N@H+]3C)ccc2NC1=O ZINC000271714699 455731158 /nfs/dbraw/zinc/73/11/58/455731158.db2.gz KGIGNBRVXMYJKQ-ZVZYQTTQSA-N 2 1 345.487 3.321 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCn1ccnc1 ZINC000249487986 455758402 /nfs/dbraw/zinc/75/84/02/455758402.db2.gz URISGUPAKDVOJI-RUYXUALKSA-N 2 1 326.488 3.019 20 0 EGADMP CC(C)CNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000249767333 455774513 /nfs/dbraw/zinc/77/45/13/455774513.db2.gz QFBNXRVRGUJYTN-ZWKOTPCHSA-N 2 1 345.531 3.311 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CSCCS2)CC[N@H+]1Cc1ccccc1 ZINC000269066146 455780275 /nfs/dbraw/zinc/78/02/75/455780275.db2.gz LLECIFZBPUSVJC-NXHRZFHOSA-N 2 1 336.570 3.478 20 0 EGADMP C[N@@H+](Cc1ccccc1C[NH2+]C1CCN(C=O)CC1)C1CCCCC1 ZINC000278292644 455808575 /nfs/dbraw/zinc/80/85/75/455808575.db2.gz RBCSFMKEGANNSE-UHFFFAOYSA-N 2 1 343.515 3.162 20 0 EGADMP CC(C)N1CC[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000252498283 455814528 /nfs/dbraw/zinc/81/45/28/455814528.db2.gz QXJSNWSYLYFASM-MHJFOBGBSA-N 2 1 343.515 3.029 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4C[C@@H]5OCCC[C@H]45)[C@H]3C2)cc1 ZINC000253233051 455831975 /nfs/dbraw/zinc/83/19/75/455831975.db2.gz LQAXPGPFUIIMPX-GCOBIYGJSA-N 2 1 340.511 3.444 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1OC ZINC000285728724 455905738 /nfs/dbraw/zinc/90/57/38/455905738.db2.gz QNYACNMRCXYAHP-AWEZNQCLSA-N 2 1 332.488 3.160 20 0 EGADMP CCN(CCCNC(=O)[C@@H](N)c1ccc(C)cc1)c1ccccc1 ZINC000261603371 455910938 /nfs/dbraw/zinc/91/09/38/455910938.db2.gz CCFAEFUJNSAFDS-IBGZPJMESA-N 2 1 325.456 3.028 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Br)c4cccnc34)C[C@@H]12 ZINC000261612663 455913702 /nfs/dbraw/zinc/91/37/02/455913702.db2.gz FEAGHVSYXSZCDQ-SGIREYDYSA-N 2 1 346.272 3.166 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Br)c4cccnc34)C[C@@H]12 ZINC000261612663 455913708 /nfs/dbraw/zinc/91/37/08/455913708.db2.gz FEAGHVSYXSZCDQ-SGIREYDYSA-N 2 1 346.272 3.166 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272332336 455916870 /nfs/dbraw/zinc/91/68/70/455916870.db2.gz NEORSPMJMRHIHI-JTDSTZFVSA-N 2 1 326.488 3.290 20 0 EGADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC2CC[NH2+]CC2)[C@@H]2CCCC[C@@H]12 ZINC000261638277 455918315 /nfs/dbraw/zinc/91/83/15/455918315.db2.gz FLRSYXPZHWQLTO-FLFBIERCSA-N 2 1 349.563 3.170 20 0 EGADMP C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261723141 455936240 /nfs/dbraw/zinc/93/62/40/455936240.db2.gz LIAQUZXSYZDPGG-POAQFYNOSA-N 2 1 347.466 3.003 20 0 EGADMP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261723141 455936242 /nfs/dbraw/zinc/93/62/42/455936242.db2.gz LIAQUZXSYZDPGG-POAQFYNOSA-N 2 1 347.466 3.003 20 0 EGADMP CCN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000261731064 455937089 /nfs/dbraw/zinc/93/70/89/455937089.db2.gz KWHMWFUMVMEUOK-FRYIKTPZSA-N 2 1 343.515 3.188 20 0 EGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261797766 455949506 /nfs/dbraw/zinc/94/95/06/455949506.db2.gz GRTUZFZCQSYKIN-GFCCVEGCSA-N 2 1 338.377 3.137 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261797766 455949512 /nfs/dbraw/zinc/94/95/12/455949512.db2.gz GRTUZFZCQSYKIN-GFCCVEGCSA-N 2 1 338.377 3.137 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261797768 455950292 /nfs/dbraw/zinc/95/02/92/455950292.db2.gz GRTUZFZCQSYKIN-LBPRGKRZSA-N 2 1 338.377 3.137 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261797768 455950295 /nfs/dbraw/zinc/95/02/95/455950295.db2.gz GRTUZFZCQSYKIN-LBPRGKRZSA-N 2 1 338.377 3.137 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000188006914 455980237 /nfs/dbraw/zinc/98/02/37/455980237.db2.gz AKNHZPRLQLIPEZ-VCBZYWHSSA-N 2 1 335.923 3.016 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2coc(C[NH3+])c2)cc1 ZINC000188060040 455988848 /nfs/dbraw/zinc/98/88/48/455988848.db2.gz RLNPIGWIGFRMQA-AWEZNQCLSA-N 2 1 327.428 3.365 20 0 EGADMP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000286212641 456001868 /nfs/dbraw/zinc/00/18/68/456001868.db2.gz SCBXIMOCYQNAED-OAHLLOKOSA-N 2 1 333.476 3.180 20 0 EGADMP CCc1noc(C)c1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280613762 456013396 /nfs/dbraw/zinc/01/33/96/456013396.db2.gz XVOCZNWOUAHZOI-HDICACEKSA-N 2 1 325.456 3.109 20 0 EGADMP COc1ccc(CC[C@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)cc1OC ZINC000262236807 456015336 /nfs/dbraw/zinc/01/53/36/456015336.db2.gz OOHAROIWOLZOET-LJQANCHMSA-N 2 1 346.515 3.491 20 0 EGADMP c1cncc([C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CCC2)c1 ZINC000280771547 456049170 /nfs/dbraw/zinc/04/91/70/456049170.db2.gz GERLNWVNLKNUNV-LJQANCHMSA-N 2 1 329.488 3.157 20 0 EGADMP c1cncc([C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CCC2)c1 ZINC000280771542 456049288 /nfs/dbraw/zinc/04/92/88/456049288.db2.gz GERLNWVNLKNUNV-IBGZPJMESA-N 2 1 329.488 3.157 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000263240579 456115071 /nfs/dbraw/zinc/11/50/71/456115071.db2.gz GBDXSICTTUVZCT-ZCNNSNEGSA-N 2 1 343.515 3.064 20 0 EGADMP C[C@H](CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)C1CC[NH2+]CC1 ZINC000263302366 456122488 /nfs/dbraw/zinc/12/24/88/456122488.db2.gz ZUJWIPPSXQNVOI-QRVBRYPASA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000236727329 456176675 /nfs/dbraw/zinc/17/66/75/456176675.db2.gz ROYUOZWWDDNQHC-MOPGFXCFSA-N 2 1 331.504 3.052 20 0 EGADMP C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289939060 456187653 /nfs/dbraw/zinc/18/76/53/456187653.db2.gz YFOIVGYSTVECAC-JWTNVVGKSA-N 2 1 328.435 3.273 20 0 EGADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289939060 456187658 /nfs/dbraw/zinc/18/76/58/456187658.db2.gz YFOIVGYSTVECAC-JWTNVVGKSA-N 2 1 328.435 3.273 20 0 EGADMP C[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289939060 456187661 /nfs/dbraw/zinc/18/76/61/456187661.db2.gz YFOIVGYSTVECAC-JWTNVVGKSA-N 2 1 328.435 3.273 20 0 EGADMP C[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289939060 456187664 /nfs/dbraw/zinc/18/76/64/456187664.db2.gz YFOIVGYSTVECAC-JWTNVVGKSA-N 2 1 328.435 3.273 20 0 EGADMP CSc1cc2c(cc1C[N@@H+]1CC[C@H]3[C@@H](CCC[NH+]3C)C1)OCCO2 ZINC000271251106 456192666 /nfs/dbraw/zinc/19/26/66/456192666.db2.gz DPYXUDHQZQYZDY-HOCLYGCPSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[N@H+]1CC[C@H]3[C@@H](CCC[NH+]3C)C1)OCCO2 ZINC000271251106 456192669 /nfs/dbraw/zinc/19/26/69/456192669.db2.gz DPYXUDHQZQYZDY-HOCLYGCPSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[NH+]1CC[C@H]3[C@@H](CCC[N@@H+]3C)C1)OCCO2 ZINC000271251106 456192675 /nfs/dbraw/zinc/19/26/75/456192675.db2.gz DPYXUDHQZQYZDY-HOCLYGCPSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[NH+]1CC[C@H]3[C@@H](CCC[N@H+]3C)C1)OCCO2 ZINC000271251106 456192681 /nfs/dbraw/zinc/19/26/81/456192681.db2.gz DPYXUDHQZQYZDY-HOCLYGCPSA-N 2 1 348.512 3.096 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000273161791 456196212 /nfs/dbraw/zinc/19/62/12/456196212.db2.gz CITYGNZKUJMBCJ-LMMKCTJWSA-N 2 1 345.531 3.322 20 0 EGADMP CCOc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OCC ZINC000236950360 456207610 /nfs/dbraw/zinc/20/76/10/456207610.db2.gz JPZUYSBBYAFNNU-HNNXBMFYSA-N 2 1 331.460 3.415 20 0 EGADMP C[C@H](C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)C[NH+]1CCCCC1 ZINC000189055837 456214125 /nfs/dbraw/zinc/21/41/25/456214125.db2.gz BYLYJEQXWQVFRU-QGZVFWFLSA-N 2 1 344.478 3.282 20 0 EGADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)o1 ZINC000290015867 456216642 /nfs/dbraw/zinc/21/66/42/456216642.db2.gz BXTWSCSBVJNBDL-OAHLLOKOSA-N 2 1 331.460 3.418 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)C1 ZINC000237053027 456224779 /nfs/dbraw/zinc/22/47/79/456224779.db2.gz KDMDKCGTDOJITB-SJORKVTESA-N 2 1 337.552 3.029 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000237132021 456237629 /nfs/dbraw/zinc/23/76/29/456237629.db2.gz BOUGYEUQLOIZGX-OAQYLSRUSA-N 2 1 340.511 3.338 20 0 EGADMP COCCC1(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)CCCCC1 ZINC000189266677 456267961 /nfs/dbraw/zinc/26/79/61/456267961.db2.gz XFDZFNXSTRQYSN-UHFFFAOYSA-N 2 1 340.552 3.452 20 0 EGADMP CCc1c(C)[nH+]c2ccccc2c1N[C@H](C)CN1CC[NH+](C)CC1 ZINC000302023847 456270613 /nfs/dbraw/zinc/27/06/13/456270613.db2.gz GYJKEDANARTUAJ-OAHLLOKOSA-N 2 1 326.488 3.153 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H](Nc2nc(C)nc3c2CCCC3)[C@@H](C)C1 ZINC000302063196 456277636 /nfs/dbraw/zinc/27/76/36/456277636.db2.gz USNWVNTZTRQNKM-MAUKXSAKSA-N 2 1 346.519 3.213 20 0 EGADMP CC(C)OC(=O)CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342868948 456284969 /nfs/dbraw/zinc/28/49/69/456284969.db2.gz REQVVKXUHBNAOS-UHFFFAOYSA-N 2 1 344.499 3.316 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000290305543 456285278 /nfs/dbraw/zinc/28/52/78/456285278.db2.gz BRNNDKIMGZFSTA-UWJYYQICSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000290305543 456285284 /nfs/dbraw/zinc/28/52/84/456285284.db2.gz BRNNDKIMGZFSTA-UWJYYQICSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000290305543 456285293 /nfs/dbraw/zinc/28/52/93/456285293.db2.gz BRNNDKIMGZFSTA-UWJYYQICSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000290305543 456285300 /nfs/dbraw/zinc/28/53/00/456285300.db2.gz BRNNDKIMGZFSTA-UWJYYQICSA-N 2 1 339.483 3.433 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cnn1-c1ccc(F)cc1 ZINC000347657553 456285632 /nfs/dbraw/zinc/28/56/32/456285632.db2.gz UMJGXUHUKVCGJJ-RHSMWYFYSA-N 2 1 330.451 3.455 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cnn1-c1ccc(F)cc1 ZINC000347657553 456285638 /nfs/dbraw/zinc/28/56/38/456285638.db2.gz UMJGXUHUKVCGJJ-RHSMWYFYSA-N 2 1 330.451 3.455 20 0 EGADMP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cnn1-c1ccc(F)cc1 ZINC000347657555 456285790 /nfs/dbraw/zinc/28/57/90/456285790.db2.gz UMJGXUHUKVCGJJ-YOEHRIQHSA-N 2 1 330.451 3.455 20 0 EGADMP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cnn1-c1ccc(F)cc1 ZINC000347657555 456285796 /nfs/dbraw/zinc/28/57/96/456285796.db2.gz UMJGXUHUKVCGJJ-YOEHRIQHSA-N 2 1 330.451 3.455 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(C2CC2)nc2sccn12 ZINC000290310155 456286569 /nfs/dbraw/zinc/28/65/69/456286569.db2.gz CBUNJJNIYCHROC-UHFFFAOYSA-N 2 1 329.473 3.300 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(C2CC2)nc2sccn12 ZINC000290310155 456286573 /nfs/dbraw/zinc/28/65/73/456286573.db2.gz CBUNJJNIYCHROC-UHFFFAOYSA-N 2 1 329.473 3.300 20 0 EGADMP C[C@H]([NH2+]C(C)(C)CNCc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352765059 456287867 /nfs/dbraw/zinc/28/78/67/456287867.db2.gz IQRXUNYJVMHNDF-HNNXBMFYSA-N 2 1 346.544 3.424 20 0 EGADMP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc(OC)c1O ZINC000290329940 456293862 /nfs/dbraw/zinc/29/38/62/456293862.db2.gz KGMJYMDHJUYHPZ-GDBMZVCRSA-N 2 1 348.487 3.152 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000297792923 456296074 /nfs/dbraw/zinc/29/60/74/456296074.db2.gz NGYBNIKMCVBTER-AWEZNQCLSA-N 2 1 332.517 3.355 20 0 EGADMP Cc1cccc2c(CC[NH2+]Cc3ncc(C[NH+](C)C)s3)c[nH]c21 ZINC000352776674 456297112 /nfs/dbraw/zinc/29/71/12/456297112.db2.gz UNMIXTGRZRBYPC-UHFFFAOYSA-N 2 1 328.485 3.327 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352783308 456302708 /nfs/dbraw/zinc/30/27/08/456302708.db2.gz XQJWYFCKRANIKW-GASCZTMLSA-N 2 1 338.565 3.051 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352783308 456302715 /nfs/dbraw/zinc/30/27/15/456302715.db2.gz XQJWYFCKRANIKW-GASCZTMLSA-N 2 1 338.565 3.051 20 0 EGADMP O=C(CCCC[NH2+]C1CC[NH+](C2CC2)CC1)OCc1ccccc1 ZINC000297834669 456305519 /nfs/dbraw/zinc/30/55/19/456305519.db2.gz ZZHSMLIFJMSPTA-UHFFFAOYSA-N 2 1 330.472 3.117 20 0 EGADMP Cn1nc(CCC[N@@H+](C)CC2CC[NH2+]CC2)cc1-c1ccc(F)cc1 ZINC000337076718 456324890 /nfs/dbraw/zinc/32/48/90/456324890.db2.gz RDUWJHOLBJZMNJ-UHFFFAOYSA-N 2 1 344.478 3.090 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc4c3OCCCO4)C2)CC1 ZINC000290427426 456325318 /nfs/dbraw/zinc/32/53/18/456325318.db2.gz LEPPREZBNIGXDE-QGZVFWFLSA-N 2 1 330.472 3.012 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(C2CC2)c1 ZINC000340234054 456329050 /nfs/dbraw/zinc/32/90/50/456329050.db2.gz BDOMMAVBQNSSEQ-INIZCTEOSA-N 2 1 343.515 3.157 20 0 EGADMP C[NH+](C)CCc1ccccc1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000275851726 456332602 /nfs/dbraw/zinc/33/26/02/456332602.db2.gz LAWDFFBADAJRAO-IBGZPJMESA-N 2 1 325.456 3.032 20 0 EGADMP C[C@@H]([NH2+]Cc1cnc([C@H](C)O)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290471379 456338078 /nfs/dbraw/zinc/33/80/78/456338078.db2.gz UTUBDTIDGHNACI-VYDXJSESSA-N 2 1 345.512 3.197 20 0 EGADMP C[C@@H]([NH2+]Cc1cnc([C@H](C)O)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290471379 456338086 /nfs/dbraw/zinc/33/80/86/456338086.db2.gz UTUBDTIDGHNACI-VYDXJSESSA-N 2 1 345.512 3.197 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CCN1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824812 456339154 /nfs/dbraw/zinc/33/91/54/456339154.db2.gz NGOBKBJSLYUARB-YADHBBJMSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352824812 456339162 /nfs/dbraw/zinc/33/91/62/456339162.db2.gz NGOBKBJSLYUARB-YADHBBJMSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352824812 456339172 /nfs/dbraw/zinc/33/91/72/456339172.db2.gz NGOBKBJSLYUARB-YADHBBJMSA-N 2 1 341.543 3.459 20 0 EGADMP O[C@]1(C[NH2+][C@H]2CCCC23CCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000340260561 456346491 /nfs/dbraw/zinc/34/64/91/456346491.db2.gz SRQRKARGMMKOAC-FPOVZHCZSA-N 2 1 328.500 3.326 20 0 EGADMP O[C@]1(C[NH2+][C@H]2CCCC23CCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000340260561 456346499 /nfs/dbraw/zinc/34/64/99/456346499.db2.gz SRQRKARGMMKOAC-FPOVZHCZSA-N 2 1 328.500 3.326 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OCCOC)cc1 ZINC000290519704 456351133 /nfs/dbraw/zinc/35/11/33/456351133.db2.gz PZPBPCJJFIHTNM-UHFFFAOYSA-N 2 1 345.487 3.383 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OCCOC)cc1 ZINC000290519704 456351137 /nfs/dbraw/zinc/35/11/37/456351137.db2.gz PZPBPCJJFIHTNM-UHFFFAOYSA-N 2 1 345.487 3.383 20 0 EGADMP COc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(Br)c1 ZINC000290581975 456372117 /nfs/dbraw/zinc/37/21/17/456372117.db2.gz UQZURXPHKIGNNW-WBMJQRKESA-N 2 1 341.293 3.230 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000290654362 456397403 /nfs/dbraw/zinc/39/74/03/456397403.db2.gz ZEYPWYNLYHDMIK-UHFFFAOYSA-N 2 1 339.443 3.112 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000290654362 456397409 /nfs/dbraw/zinc/39/74/09/456397409.db2.gz ZEYPWYNLYHDMIK-UHFFFAOYSA-N 2 1 339.443 3.112 20 0 EGADMP CCC[N@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000347860152 456410501 /nfs/dbraw/zinc/41/05/01/456410501.db2.gz SIUROMOQDUJOFP-OIISXLGYSA-N 2 1 337.533 3.230 20 0 EGADMP CCC[N@@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000347860152 456410508 /nfs/dbraw/zinc/41/05/08/456410508.db2.gz SIUROMOQDUJOFP-OIISXLGYSA-N 2 1 337.533 3.230 20 0 EGADMP CCC[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000337618198 456428602 /nfs/dbraw/zinc/42/86/02/456428602.db2.gz CPFKTAJPPFVFOP-INIZCTEOSA-N 2 1 349.544 3.294 20 0 EGADMP FC(F)(F)c1ccccc1OCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298441298 456457796 /nfs/dbraw/zinc/45/77/96/456457796.db2.gz NNPLHTMIWSQGQH-UHFFFAOYSA-N 2 1 328.378 3.301 20 0 EGADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)CCCO2 ZINC000282267443 456461149 /nfs/dbraw/zinc/46/11/49/456461149.db2.gz KIUXEGYFZFAAGY-IBGZPJMESA-N 2 1 345.531 3.133 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cc[nH]c(=O)c1 ZINC000340448852 456468707 /nfs/dbraw/zinc/46/87/07/456468707.db2.gz PVKNWYHPLGGOMZ-MVJPYGJCSA-N 2 1 337.467 3.348 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000290928100 456470199 /nfs/dbraw/zinc/47/01/99/456470199.db2.gz ROKBKELLBLCFCP-INIZCTEOSA-N 2 1 349.482 3.480 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000348101803 456482319 /nfs/dbraw/zinc/48/23/19/456482319.db2.gz LEIPKCOWVJUIIO-SFHVURJKSA-N 2 1 349.482 3.440 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)CC[N@H+]1C ZINC000340517238 456504379 /nfs/dbraw/zinc/50/43/79/456504379.db2.gz ZSBBGOPDQOAQQN-GDBMZVCRSA-N 2 1 334.533 3.126 20 0 EGADMP Cc1nc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000348138616 456510632 /nfs/dbraw/zinc/51/06/32/456510632.db2.gz FZMZNWADNGYCRU-BEFAXECRSA-N 2 1 327.472 3.334 20 0 EGADMP Cc1nc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000348138624 456511030 /nfs/dbraw/zinc/51/10/30/456511030.db2.gz FZMZNWADNGYCRU-KXBFYZLASA-N 2 1 327.472 3.334 20 0 EGADMP CSCC[C@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000340534232 456516067 /nfs/dbraw/zinc/51/60/67/456516067.db2.gz KASMUMVGXOJHOB-JLAWEPINSA-N 2 1 336.545 3.133 20 0 EGADMP C[C@H]([NH2+]CCC(=O)Nc1cccc(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000298914733 456568121 /nfs/dbraw/zinc/56/81/21/456568121.db2.gz NGINXDRKNZPNNG-JKSUJKDBSA-N 2 1 347.478 3.397 20 0 EGADMP C[C@H](O)[C@H](C)[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000307516833 456570344 /nfs/dbraw/zinc/57/03/44/456570344.db2.gz SXQSWNIUULDUBH-OALUTQOASA-N 2 1 326.484 3.438 20 0 EGADMP Cc1cc(N2CCC([NH2+]C[C@@H]3C[C@H]3c3ccccc3)CC2)nc(C)[nH+]1 ZINC000348250549 456570572 /nfs/dbraw/zinc/57/05/72/456570572.db2.gz WYQNTIPUEMOGKH-ICSRJNTNSA-N 2 1 336.483 3.456 20 0 EGADMP CCCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310279452 456582074 /nfs/dbraw/zinc/58/20/74/456582074.db2.gz PFDLITQIAPSXRI-INIZCTEOSA-N 2 1 339.524 3.286 20 0 EGADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000316765102 456615262 /nfs/dbraw/zinc/61/52/62/456615262.db2.gz DBTGYOGWONWBIA-RISCZKNCSA-N 2 1 344.286 3.381 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000317161724 456616168 /nfs/dbraw/zinc/61/61/68/456616168.db2.gz NAZMQMHPWHKJQP-OAHLLOKOSA-N 2 1 326.868 3.307 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000317161724 456616173 /nfs/dbraw/zinc/61/61/73/456616173.db2.gz NAZMQMHPWHKJQP-OAHLLOKOSA-N 2 1 326.868 3.307 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cccc(OC)n1 ZINC000276973068 456637570 /nfs/dbraw/zinc/63/75/70/456637570.db2.gz QJZIWXZDKSIEJH-UHFFFAOYSA-N 2 1 343.471 3.101 20 0 EGADMP C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@@]1(C)CC[NH2+]C1 ZINC000340712505 456643740 /nfs/dbraw/zinc/64/37/40/456643740.db2.gz OVQSXZOTZCKRBH-IBGZPJMESA-N 2 1 330.451 3.080 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000348353772 456644810 /nfs/dbraw/zinc/64/48/10/456644810.db2.gz IOCHGBAAAXUPCA-KBRIMQKVSA-N 2 1 327.428 3.173 20 0 EGADMP c1cc(OCCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc2c1OCO2 ZINC000299273040 456645847 /nfs/dbraw/zinc/64/58/47/456645847.db2.gz KZCCOZQYBBVLFQ-UHFFFAOYSA-N 2 1 346.471 3.135 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)ccc1OC(F)F ZINC000322428443 456648131 /nfs/dbraw/zinc/64/81/31/456648131.db2.gz NWJWMNRLHHLFBD-KGLIPLIRSA-N 2 1 328.403 3.246 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)ccc1OC(F)F ZINC000322428443 456648134 /nfs/dbraw/zinc/64/81/34/456648134.db2.gz NWJWMNRLHHLFBD-KGLIPLIRSA-N 2 1 328.403 3.246 20 0 EGADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000343522825 456680313 /nfs/dbraw/zinc/68/03/13/456680313.db2.gz KLLQRRPVZCDBJK-PXNSSMCTSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000343522825 456680321 /nfs/dbraw/zinc/68/03/21/456680321.db2.gz KLLQRRPVZCDBJK-PXNSSMCTSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000343522825 456680329 /nfs/dbraw/zinc/68/03/29/456680329.db2.gz KLLQRRPVZCDBJK-PXNSSMCTSA-N 2 1 343.515 3.030 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000340777700 456680424 /nfs/dbraw/zinc/68/04/24/456680424.db2.gz NVFYKSOMNBBTDI-GOSISDBHSA-N 2 1 329.444 3.254 20 0 EGADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000282978711 456681183 /nfs/dbraw/zinc/68/11/83/456681183.db2.gz DPLHNKAOTRSVAO-PMACEKPBSA-N 2 1 342.483 3.385 20 0 EGADMP C[NH+](C)CCOC1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000353513673 456726582 /nfs/dbraw/zinc/72/65/82/456726582.db2.gz AZRDAFNRNPSTCF-UHFFFAOYSA-N 2 1 347.322 3.053 20 0 EGADMP CCOC(=O)CCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000343600200 456735430 /nfs/dbraw/zinc/73/54/30/456735430.db2.gz FMUASVDDPGYJGA-OAQYLSRUSA-N 2 1 344.499 3.318 20 0 EGADMP CCOC(=O)CCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000343600200 456735435 /nfs/dbraw/zinc/73/54/35/456735435.db2.gz FMUASVDDPGYJGA-OAQYLSRUSA-N 2 1 344.499 3.318 20 0 EGADMP CCOC(=O)CCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000343600200 456735438 /nfs/dbraw/zinc/73/54/38/456735438.db2.gz FMUASVDDPGYJGA-OAQYLSRUSA-N 2 1 344.499 3.318 20 0 EGADMP CCOC(=O)CCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000343600200 456735441 /nfs/dbraw/zinc/73/54/41/456735441.db2.gz FMUASVDDPGYJGA-OAQYLSRUSA-N 2 1 344.499 3.318 20 0 EGADMP C[C@@H](c1ccc(F)c(F)c1)N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343745049 456771174 /nfs/dbraw/zinc/77/11/74/456771174.db2.gz WDDOVLLUOSPYIS-CABCVRRESA-N 2 1 337.458 3.126 20 0 EGADMP CC(C)n1nccc1[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000344250242 456810610 /nfs/dbraw/zinc/81/06/10/456810610.db2.gz HWBRQRAGDTWDSO-SJLPKXTDSA-N 2 1 334.508 3.147 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000344469334 456830490 /nfs/dbraw/zinc/83/04/90/456830490.db2.gz BKDOSNVGOQGTDN-OPYAIIAOSA-N 2 1 340.515 3.328 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2-n2cncn2)C[C@@H]1C ZINC000353658487 456837402 /nfs/dbraw/zinc/83/74/02/456837402.db2.gz JMCUDWQFUPANQK-YOEHRIQHSA-N 2 1 347.894 3.225 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2-n2cncn2)C[C@@H]1C ZINC000353658487 456837409 /nfs/dbraw/zinc/83/74/09/456837409.db2.gz JMCUDWQFUPANQK-YOEHRIQHSA-N 2 1 347.894 3.225 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2-n2cncn2)C[C@@H]1C ZINC000353658487 456837415 /nfs/dbraw/zinc/83/74/15/456837415.db2.gz JMCUDWQFUPANQK-YOEHRIQHSA-N 2 1 347.894 3.225 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)C[C@H]2C(C)C)cc1)C1CC1 ZINC000348765543 456846290 /nfs/dbraw/zinc/84/62/90/456846290.db2.gz RBSXGOWTXJCVPH-FQEVSTJZSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1)C1CC1 ZINC000348765543 456846297 /nfs/dbraw/zinc/84/62/97/456846297.db2.gz RBSXGOWTXJCVPH-FQEVSTJZSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1)C1CC1 ZINC000348765543 456846304 /nfs/dbraw/zinc/84/63/04/456846304.db2.gz RBSXGOWTXJCVPH-FQEVSTJZSA-N 2 1 343.515 3.083 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292128382 456863221 /nfs/dbraw/zinc/86/32/21/456863221.db2.gz LHYYFNVCVIWMDS-OAHLLOKOSA-N 2 1 331.504 3.302 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Br)cn2)C[C@@H]1C ZINC000353751838 456889602 /nfs/dbraw/zinc/88/96/02/456889602.db2.gz KNDMXBZOGWMISN-SWLSCSKDSA-N 2 1 326.282 3.149 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnc3c(cnn3C(C)C)c2)C[C@@H]1C ZINC000353751978 456890377 /nfs/dbraw/zinc/89/03/77/456890377.db2.gz QYCKBDXBIKYCEM-MAUKXSAKSA-N 2 1 329.492 3.317 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(cnn3C(C)C)c2)C[C@@H]1C ZINC000353751978 456890378 /nfs/dbraw/zinc/89/03/78/456890378.db2.gz QYCKBDXBIKYCEM-MAUKXSAKSA-N 2 1 329.492 3.317 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(cnn3C(C)C)c2)C[C@@H]1C ZINC000353751978 456890379 /nfs/dbraw/zinc/89/03/79/456890379.db2.gz QYCKBDXBIKYCEM-MAUKXSAKSA-N 2 1 329.492 3.317 20 0 EGADMP O=C(Nc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1)c1ccco1 ZINC000339073043 456926835 /nfs/dbraw/zinc/92/68/35/456926835.db2.gz ZBOSGKCCCGVSBL-ROUUACIJSA-N 2 1 339.439 3.248 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000349344190 456947420 /nfs/dbraw/zinc/94/74/20/456947420.db2.gz HLGLIORYYKNLCG-UHFFFAOYSA-N 2 1 341.434 3.098 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000349344190 456947422 /nfs/dbraw/zinc/94/74/22/456947422.db2.gz HLGLIORYYKNLCG-UHFFFAOYSA-N 2 1 341.434 3.098 20 0 EGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)cc1-n1cncn1 ZINC000349364105 456953840 /nfs/dbraw/zinc/95/38/40/456953840.db2.gz FRKVULUFPBCTDV-UHFFFAOYSA-N 2 1 347.894 3.229 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)cc1-n1cncn1 ZINC000349364105 456953844 /nfs/dbraw/zinc/95/38/44/456953844.db2.gz FRKVULUFPBCTDV-UHFFFAOYSA-N 2 1 347.894 3.229 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000341896505 456990622 /nfs/dbraw/zinc/99/06/22/456990622.db2.gz OCBISVHBNQIFQJ-MRXNPFEDSA-N 2 1 345.409 3.033 20 0 EGADMP CC[C@H](C(=O)N(C)[C@H]1CC[NH+](CC)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000339280523 457037470 /nfs/dbraw/zinc/03/74/70/457037470.db2.gz HCGAKHQJVRLVMQ-RLLQIKCJSA-N 2 1 345.531 3.086 20 0 EGADMP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000339280523 457037473 /nfs/dbraw/zinc/03/74/73/457037473.db2.gz HCGAKHQJVRLVMQ-RLLQIKCJSA-N 2 1 345.531 3.086 20 0 EGADMP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000339280523 457037478 /nfs/dbraw/zinc/03/74/78/457037478.db2.gz HCGAKHQJVRLVMQ-RLLQIKCJSA-N 2 1 345.531 3.086 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000354088323 457053759 /nfs/dbraw/zinc/05/37/59/457053759.db2.gz OAVJDTWQNUDXHZ-LJQANCHMSA-N 2 1 343.471 3.274 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000354088323 457053763 /nfs/dbraw/zinc/05/37/63/457053763.db2.gz OAVJDTWQNUDXHZ-LJQANCHMSA-N 2 1 343.471 3.274 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000362722565 457062010 /nfs/dbraw/zinc/06/20/10/457062010.db2.gz GEZRTUBZDAOIKC-GOSISDBHSA-N 2 1 331.504 3.133 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc32)[C@@H](C)C1 ZINC000346603933 457071471 /nfs/dbraw/zinc/07/14/71/457071471.db2.gz IURMKRMZRYQQAY-CUWPLCDZSA-N 2 1 330.516 3.443 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000342107292 457112223 /nfs/dbraw/zinc/11/22/23/457112223.db2.gz PSLAZKYOOITLQJ-XCZFOBESSA-N 2 1 343.515 3.092 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000346692639 457114493 /nfs/dbraw/zinc/11/44/93/457114493.db2.gz HZZYIFFUKIPVSB-FQEVSTJZSA-N 2 1 327.472 3.466 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346693546 457115090 /nfs/dbraw/zinc/11/50/90/457115090.db2.gz NTOQSHHJXPAMFX-HXUWFJFHSA-N 2 1 328.504 3.353 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346693546 457115096 /nfs/dbraw/zinc/11/50/96/457115096.db2.gz NTOQSHHJXPAMFX-HXUWFJFHSA-N 2 1 328.504 3.353 20 0 EGADMP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000354182524 457115900 /nfs/dbraw/zinc/11/59/00/457115900.db2.gz QSWSDBVPAOGILR-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000354182524 457115903 /nfs/dbraw/zinc/11/59/03/457115903.db2.gz QSWSDBVPAOGILR-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000354182524 457115907 /nfs/dbraw/zinc/11/59/07/457115907.db2.gz QSWSDBVPAOGILR-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000354182524 457115909 /nfs/dbraw/zinc/11/59/09/457115909.db2.gz QSWSDBVPAOGILR-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342117619 457117386 /nfs/dbraw/zinc/11/73/86/457117386.db2.gz GOLDWIAYGIEGPB-UDTPNQRGSA-N 2 1 343.515 3.198 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342117619 457117395 /nfs/dbraw/zinc/11/73/95/457117395.db2.gz GOLDWIAYGIEGPB-UDTPNQRGSA-N 2 1 343.515 3.198 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2nc(-c3ccccc3)no2)C[C@@H]1C ZINC000354224086 457140516 /nfs/dbraw/zinc/14/05/16/457140516.db2.gz PYECDBHGZXBPCW-RDJZCZTQSA-N 2 1 328.460 3.084 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2nc(-c3ccccc3)no2)C[C@@H]1C ZINC000354224086 457140519 /nfs/dbraw/zinc/14/05/19/457140519.db2.gz PYECDBHGZXBPCW-RDJZCZTQSA-N 2 1 328.460 3.084 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2nc(-c3ccccc3)no2)C[C@@H]1C ZINC000354224086 457140522 /nfs/dbraw/zinc/14/05/22/457140522.db2.gz PYECDBHGZXBPCW-RDJZCZTQSA-N 2 1 328.460 3.084 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2nc(-c3ccccc3)no2)C[C@@H]1C ZINC000354224086 457140524 /nfs/dbraw/zinc/14/05/24/457140524.db2.gz PYECDBHGZXBPCW-RDJZCZTQSA-N 2 1 328.460 3.084 20 0 EGADMP CCCCOc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346842236 457182617 /nfs/dbraw/zinc/18/26/17/457182617.db2.gz HTOABXZCNXHUMD-RCCFBDPRSA-N 2 1 332.488 3.433 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000354382111 457189019 /nfs/dbraw/zinc/18/90/19/457189019.db2.gz CNSIKYZTPBMERM-UYAOXDASSA-N 2 1 345.531 3.276 20 0 EGADMP CC[N@@H+](CCC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1)CC1CC1 ZINC000356894878 457203972 /nfs/dbraw/zinc/20/39/72/457203972.db2.gz OCGWLFQRTCRCNG-ROUUACIJSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000347051842 457204947 /nfs/dbraw/zinc/20/49/47/457204947.db2.gz RLWNQJVZPLFNPO-APWZRJJASA-N 2 1 325.456 3.220 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000360030981 457213902 /nfs/dbraw/zinc/21/39/02/457213902.db2.gz YKDCKGKHMLJJMO-CWRNSKLLSA-N 2 1 327.472 3.194 20 0 EGADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccc(Br)cc1 ZINC000360047405 457224688 /nfs/dbraw/zinc/22/46/88/457224688.db2.gz VPXFKDLXFYFAHU-INIZCTEOSA-N 2 1 343.309 3.458 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357028368 457285392 /nfs/dbraw/zinc/28/53/92/457285392.db2.gz UTQHDRPQFJKIGR-GOSISDBHSA-N 2 1 328.456 3.031 20 0 EGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357028368 457285395 /nfs/dbraw/zinc/28/53/95/457285395.db2.gz UTQHDRPQFJKIGR-GOSISDBHSA-N 2 1 328.456 3.031 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357028368 457285403 /nfs/dbraw/zinc/28/54/03/457285403.db2.gz UTQHDRPQFJKIGR-GOSISDBHSA-N 2 1 328.456 3.031 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357028368 457285408 /nfs/dbraw/zinc/28/54/08/457285408.db2.gz UTQHDRPQFJKIGR-GOSISDBHSA-N 2 1 328.456 3.031 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357028368 457285410 /nfs/dbraw/zinc/28/54/10/457285410.db2.gz UTQHDRPQFJKIGR-GOSISDBHSA-N 2 1 328.456 3.031 20 0 EGADMP CC(C)(C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)C[NH+]1CCCC1 ZINC000360168742 457285609 /nfs/dbraw/zinc/28/56/09/457285609.db2.gz OMXJQVNHMUWPRK-UHFFFAOYSA-N 2 1 344.478 3.282 20 0 EGADMP C[C@H](C1CCC1)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000357030978 457286846 /nfs/dbraw/zinc/28/68/46/457286846.db2.gz YMNLUIGGOHJMCA-QGZVFWFLSA-N 2 1 343.515 3.019 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000360418151 457307897 /nfs/dbraw/zinc/30/78/97/457307897.db2.gz IPBPUWKXWGTBCR-UHFFFAOYSA-N 2 1 325.456 3.493 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000360430554 457310168 /nfs/dbraw/zinc/31/01/68/457310168.db2.gz XVMSIJQWXHSDFT-KBXCAEBGSA-N 2 1 329.419 3.443 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000360430554 457310174 /nfs/dbraw/zinc/31/01/74/457310174.db2.gz XVMSIJQWXHSDFT-KBXCAEBGSA-N 2 1 329.419 3.443 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cn4cc(Cl)ccc4n3)C2)CC1 ZINC000363448255 457332323 /nfs/dbraw/zinc/33/23/23/457332323.db2.gz FNXBMRDXHQXBHP-HNNXBMFYSA-N 2 1 332.879 3.151 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC[C@@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000352432518 457362119 /nfs/dbraw/zinc/36/21/19/457362119.db2.gz QPIOQRMYCMBURG-NJYVYQBISA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC[C@@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000352432518 457362125 /nfs/dbraw/zinc/36/21/25/457362125.db2.gz QPIOQRMYCMBURG-NJYVYQBISA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC[C@@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000352432518 457362127 /nfs/dbraw/zinc/36/21/27/457362127.db2.gz QPIOQRMYCMBURG-NJYVYQBISA-N 2 1 328.500 3.400 20 0 EGADMP C[N@@H+](Cc1cccc(F)c1N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382787267 457423460 /nfs/dbraw/zinc/42/34/60/457423460.db2.gz ZDGRIFZFBDIRHQ-KRWDZBQOSA-N 2 1 327.447 3.362 20 0 EGADMP C[N@H+](Cc1cccc(F)c1N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382787267 457423468 /nfs/dbraw/zinc/42/34/68/457423468.db2.gz ZDGRIFZFBDIRHQ-KRWDZBQOSA-N 2 1 327.447 3.362 20 0 EGADMP C[NH+](Cc1cccc(F)c1N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382787267 457423473 /nfs/dbraw/zinc/42/34/73/457423473.db2.gz ZDGRIFZFBDIRHQ-KRWDZBQOSA-N 2 1 327.447 3.362 20 0 EGADMP C[NH+](Cc1cccc(F)c1N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382787267 457423481 /nfs/dbraw/zinc/42/34/81/457423481.db2.gz ZDGRIFZFBDIRHQ-KRWDZBQOSA-N 2 1 327.447 3.362 20 0 EGADMP c1ccc(OCc2cccnc2)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352545684 457456179 /nfs/dbraw/zinc/45/61/79/457456179.db2.gz KYXVHFHCNVSOEN-OAQYLSRUSA-N 2 1 337.467 3.236 20 0 EGADMP c1ccc(OCc2cccnc2)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352545684 457456184 /nfs/dbraw/zinc/45/61/84/457456184.db2.gz KYXVHFHCNVSOEN-OAQYLSRUSA-N 2 1 337.467 3.236 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc(-c4ccc(F)cc4)no3)C2)CC1 ZINC000374074065 457469631 /nfs/dbraw/zinc/46/96/31/457469631.db2.gz HLUWZAZOPMXRLU-UHFFFAOYSA-N 2 1 344.434 3.184 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1OC(F)F ZINC000397295133 457486356 /nfs/dbraw/zinc/48/63/56/457486356.db2.gz ZGVRJRJCIRIDEW-DYEKYZERSA-N 2 1 328.403 3.102 20 0 EGADMP COC(=O)c1ccc(Cl)c(C[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000361024197 457520319 /nfs/dbraw/zinc/52/03/19/457520319.db2.gz UTINOUXCZPVRLM-UHFFFAOYSA-N 2 1 335.835 3.202 20 0 EGADMP Cc1ccc2c(CC[NH2+]Cc3ncc(C[NH+](C)C)s3)c[nH]c2c1 ZINC000352734158 457567105 /nfs/dbraw/zinc/56/71/05/457567105.db2.gz WOMNPCAUNCYXBD-UHFFFAOYSA-N 2 1 328.485 3.327 20 0 EGADMP COc1ccccc1OC[C@@H](C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352734839 457569577 /nfs/dbraw/zinc/56/95/77/457569577.db2.gz DFERUYXAZVDKPN-AWEZNQCLSA-N 2 1 349.500 3.018 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000356423265 457618857 /nfs/dbraw/zinc/61/88/57/457618857.db2.gz KTOJTRAYEWXPHR-YLJYHZDGSA-N 2 1 343.515 3.085 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cnn(C)c1 ZINC000370329128 457620877 /nfs/dbraw/zinc/62/08/77/457620877.db2.gz ZLOJNWOHIJUJRU-RCVZYCBYSA-N 2 1 338.499 3.371 20 0 EGADMP Cc1ccccc1[C@H](CC(C)C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000361173109 457628301 /nfs/dbraw/zinc/62/83/01/457628301.db2.gz AHXIBOVJOGWHPQ-ICSRJNTNSA-N 2 1 345.531 3.259 20 0 EGADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361182489 457634443 /nfs/dbraw/zinc/63/44/43/457634443.db2.gz BIXOWFOULWPQIQ-BEFAXECRSA-N 2 1 332.463 3.294 20 0 EGADMP Fc1ccc(CC[NH+]2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000370671388 457697071 /nfs/dbraw/zinc/69/70/71/457697071.db2.gz QSSVAPSOEYUCAY-SFTDATJTSA-N 2 1 345.506 3.049 20 0 EGADMP Fc1ccc(CCN2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000370671388 457697073 /nfs/dbraw/zinc/69/70/73/457697073.db2.gz QSSVAPSOEYUCAY-SFTDATJTSA-N 2 1 345.506 3.049 20 0 EGADMP Fc1ccc(CCN2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000370671388 457697075 /nfs/dbraw/zinc/69/70/75/457697075.db2.gz QSSVAPSOEYUCAY-SFTDATJTSA-N 2 1 345.506 3.049 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000364894716 457714134 /nfs/dbraw/zinc/71/41/34/457714134.db2.gz LPIZVXIPQDPWKF-UHFFFAOYSA-N 2 1 348.878 3.421 20 0 EGADMP CC(C)(C[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21)C[NH+]1CCCC1 ZINC000357867423 457717785 /nfs/dbraw/zinc/71/77/85/457717785.db2.gz FESFMURKKPPJIP-MRXNPFEDSA-N 2 1 333.451 3.311 20 0 EGADMP CC(C)[C@H](C[NH3+])C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000433152995 457765883 /nfs/dbraw/zinc/76/58/83/457765883.db2.gz OBLBXTSABQOFKA-QKLQHJQFSA-N 2 1 345.531 3.012 20 0 EGADMP CC(C)[C@H](C[NH3+])C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000433154458 457766266 /nfs/dbraw/zinc/76/62/66/457766266.db2.gz UECYXLVWOMEVLU-QKLQHJQFSA-N 2 1 345.531 3.012 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358155853 457822359 /nfs/dbraw/zinc/82/23/59/457822359.db2.gz PEPMHAWFWRXNBO-VNHYZAJKSA-N 2 1 336.430 3.292 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc3ccccc3n2C(F)F)[C@@H](C)C1 ZINC000358164660 457828238 /nfs/dbraw/zinc/82/82/38/457828238.db2.gz IHJWSMWHHIJHHW-UONOGXRCSA-N 2 1 336.430 3.294 20 0 EGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(OCc4ccccn4)c3)C2)C1 ZINC000366537409 457843982 /nfs/dbraw/zinc/84/39/82/457843982.db2.gz XOJPNXDILGDHQB-OAQYLSRUSA-N 2 1 337.467 3.188 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(OCc4ccccn4)c3)C2)C1 ZINC000366537409 457843987 /nfs/dbraw/zinc/84/39/87/457843987.db2.gz XOJPNXDILGDHQB-OAQYLSRUSA-N 2 1 337.467 3.188 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)C1 ZINC000366537409 457843997 /nfs/dbraw/zinc/84/39/97/457843997.db2.gz XOJPNXDILGDHQB-OAQYLSRUSA-N 2 1 337.467 3.188 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)C1 ZINC000366537409 457844003 /nfs/dbraw/zinc/84/40/03/457844003.db2.gz XOJPNXDILGDHQB-OAQYLSRUSA-N 2 1 337.467 3.188 20 0 EGADMP CC[N@@H+](CCc1cncs1)CC1CCN(c2ccccn2)CC1 ZINC000411298942 457853004 /nfs/dbraw/zinc/85/30/04/457853004.db2.gz OGSMHJNYXYBJHG-UHFFFAOYSA-N 2 1 330.501 3.319 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000371295044 457853140 /nfs/dbraw/zinc/85/31/40/457853140.db2.gz OIWIUACVOGXNFK-ZACQAIPSSA-N 2 1 342.405 3.389 20 0 EGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ncco4)cc3F)CC[C@H]21 ZINC000411328295 457858427 /nfs/dbraw/zinc/85/84/27/457858427.db2.gz PKYDASSDFOLDOW-FUHWJXTLSA-N 2 1 329.419 3.397 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ncco4)cc3F)CC[C@H]21 ZINC000411328295 457858433 /nfs/dbraw/zinc/85/84/33/457858433.db2.gz PKYDASSDFOLDOW-FUHWJXTLSA-N 2 1 329.419 3.397 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4ncco4)cc3F)CC[C@H]21 ZINC000411328295 457858435 /nfs/dbraw/zinc/85/84/35/457858435.db2.gz PKYDASSDFOLDOW-FUHWJXTLSA-N 2 1 329.419 3.397 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4ncco4)cc3F)CC[C@H]21 ZINC000411328295 457858441 /nfs/dbraw/zinc/85/84/41/457858441.db2.gz PKYDASSDFOLDOW-FUHWJXTLSA-N 2 1 329.419 3.397 20 0 EGADMP C[C@@H](O)CC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000411402017 457875258 /nfs/dbraw/zinc/87/52/58/457875258.db2.gz YXFSEHDTKXWLQU-CQSZACIVSA-N 2 1 344.421 3.373 20 0 EGADMP C[C@@H](O)CC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000411402017 457875264 /nfs/dbraw/zinc/87/52/64/457875264.db2.gz YXFSEHDTKXWLQU-CQSZACIVSA-N 2 1 344.421 3.373 20 0 EGADMP COCCO[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411406184 457876963 /nfs/dbraw/zinc/87/69/63/457876963.db2.gz FDKZSVFWXPLSPV-OAQYLSRUSA-N 2 1 346.515 3.300 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2c(C)noc2C)[C@H](C)C1 ZINC000358341378 457945166 /nfs/dbraw/zinc/94/51/66/457945166.db2.gz NGPGXFABZGONAA-RKVPGOIHSA-N 2 1 337.508 3.122 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc2c(c1)CC(C)(C)O2 ZINC000371471849 457948995 /nfs/dbraw/zinc/94/89/95/457948995.db2.gz XBJZIVFECYNMAO-QWFCFKBJSA-N 2 1 344.499 3.084 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc2c(c1)CC(C)(C)O2 ZINC000371471849 457949000 /nfs/dbraw/zinc/94/90/00/457949000.db2.gz XBJZIVFECYNMAO-QWFCFKBJSA-N 2 1 344.499 3.084 20 0 EGADMP CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411737975 457965361 /nfs/dbraw/zinc/96/53/61/457965361.db2.gz RQPAPWOFUHXAGY-IBGZPJMESA-N 2 1 343.515 3.134 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)cc1)C(C)C ZINC000371510861 457967402 /nfs/dbraw/zinc/96/74/02/457967402.db2.gz OLWBSQRCTBDKDX-UXHICEINSA-N 2 1 343.515 3.274 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1)C(C)C ZINC000371510861 457967411 /nfs/dbraw/zinc/96/74/11/457967411.db2.gz OLWBSQRCTBDKDX-UXHICEINSA-N 2 1 343.515 3.274 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1)C(C)C ZINC000371510861 457967416 /nfs/dbraw/zinc/96/74/16/457967416.db2.gz OLWBSQRCTBDKDX-UXHICEINSA-N 2 1 343.515 3.274 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411913491 458008933 /nfs/dbraw/zinc/00/89/33/458008933.db2.gz YXCJZJFBPZZEDE-KRWDZBQOSA-N 2 1 331.504 3.133 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458358914 458023971 /nfs/dbraw/zinc/02/39/71/458023971.db2.gz NUAGZWGJSYMKFZ-QGZVFWFLSA-N 2 1 340.556 3.061 20 0 EGADMP Cc1nnc([C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)[nH]1 ZINC000412046640 458064490 /nfs/dbraw/zinc/06/44/90/458064490.db2.gz SNLUXFOAPMRTGM-LJQANCHMSA-N 2 1 339.487 3.089 20 0 EGADMP Cc1n[nH]c([C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000412046640 458064498 /nfs/dbraw/zinc/06/44/98/458064498.db2.gz SNLUXFOAPMRTGM-LJQANCHMSA-N 2 1 339.487 3.089 20 0 EGADMP Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000412046640 458064502 /nfs/dbraw/zinc/06/45/02/458064502.db2.gz SNLUXFOAPMRTGM-LJQANCHMSA-N 2 1 339.487 3.089 20 0 EGADMP Cc1nc([C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n[nH]1 ZINC000412046640 458064509 /nfs/dbraw/zinc/06/45/09/458064509.db2.gz SNLUXFOAPMRTGM-LJQANCHMSA-N 2 1 339.487 3.089 20 0 EGADMP Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n[nH]1 ZINC000412046640 458064515 /nfs/dbraw/zinc/06/45/15/458064515.db2.gz SNLUXFOAPMRTGM-LJQANCHMSA-N 2 1 339.487 3.089 20 0 EGADMP FC(F)(F)c1cccc(OCCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428045769 458071498 /nfs/dbraw/zinc/07/14/98/458071498.db2.gz RGAWKXCLZRYCDU-CJNGLKHVSA-N 2 1 328.378 3.158 20 0 EGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369196893 458121058 /nfs/dbraw/zinc/12/10/58/458121058.db2.gz HDHVDGGAPPCYCQ-KBRIMQKVSA-N 2 1 342.405 3.089 20 0 EGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000369196893 458121062 /nfs/dbraw/zinc/12/10/62/458121062.db2.gz HDHVDGGAPPCYCQ-KBRIMQKVSA-N 2 1 342.405 3.089 20 0 EGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000435370022 458122775 /nfs/dbraw/zinc/12/27/75/458122775.db2.gz HIDQCQCKOSVZJN-IRXDYDNUSA-N 2 1 347.466 3.103 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435376968 458127044 /nfs/dbraw/zinc/12/70/44/458127044.db2.gz WUKJXEIHWJNLOQ-MJGOQNOKSA-N 2 1 339.483 3.447 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000435376909 458127281 /nfs/dbraw/zinc/12/72/81/458127281.db2.gz WBWBDAPHAQDGEO-ZQIUZPCESA-N 2 1 338.879 3.067 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000435376909 458127286 /nfs/dbraw/zinc/12/72/86/458127286.db2.gz WBWBDAPHAQDGEO-ZQIUZPCESA-N 2 1 338.879 3.067 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000435379063 458127710 /nfs/dbraw/zinc/12/77/10/458127710.db2.gz ARKSIQGJGSZHQZ-ZOCIIQOWSA-N 2 1 344.890 3.312 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)[NH+](C)[C@@H](C)C2)cc1 ZINC000358661328 458135590 /nfs/dbraw/zinc/13/55/90/458135590.db2.gz IBZCLKVIEMOBIS-IRXDYDNUSA-N 2 1 331.504 3.083 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCCN2CCCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000358717940 458168254 /nfs/dbraw/zinc/16/82/54/458168254.db2.gz GRFFHGJSQBKSOO-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCCN2CCCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC000358717940 458168261 /nfs/dbraw/zinc/16/82/61/458168261.db2.gz GRFFHGJSQBKSOO-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCCCC1 ZINC000358733686 458178741 /nfs/dbraw/zinc/17/87/41/458178741.db2.gz IBVXCABSTUWNCR-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP c1csc(C[N@@H+](CCOc2ccccc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435689226 458184985 /nfs/dbraw/zinc/18/49/85/458184985.db2.gz XWTYNKVKXIPLTH-KRWDZBQOSA-N 2 1 343.496 3.166 20 0 EGADMP c1csc(C[N@H+](CCOc2ccccc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435689226 458184991 /nfs/dbraw/zinc/18/49/91/458184991.db2.gz XWTYNKVKXIPLTH-KRWDZBQOSA-N 2 1 343.496 3.166 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000358747974 458190073 /nfs/dbraw/zinc/19/00/73/458190073.db2.gz IMTOCUFWDAUALV-GFCCVEGCSA-N 2 1 337.265 3.480 20 0 EGADMP COC1(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000428872894 458226975 /nfs/dbraw/zinc/22/69/75/458226975.db2.gz SZJPKGYUAHMMNF-ICSRJNTNSA-N 2 1 346.515 3.072 20 0 EGADMP C[C@H]1C[C@H](CC[NH2+]Cc2c(Cl)cnn2C)C[N@H+]1Cc1ccccc1 ZINC000436406622 458301463 /nfs/dbraw/zinc/30/14/63/458301463.db2.gz IKJXGSCMFXIONK-RDJZCZTQSA-N 2 1 346.906 3.464 20 0 EGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000447531486 458307047 /nfs/dbraw/zinc/30/70/47/458307047.db2.gz RQXRLNFKXCUPGH-HAGHYFMRSA-N 2 1 346.515 3.099 20 0 EGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000447531486 458307054 /nfs/dbraw/zinc/30/70/54/458307054.db2.gz RQXRLNFKXCUPGH-HAGHYFMRSA-N 2 1 346.515 3.099 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000459351532 458339741 /nfs/dbraw/zinc/33/97/41/458339741.db2.gz HCQZBPQKEPDAKV-MRXNPFEDSA-N 2 1 340.471 3.013 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000429521675 458339874 /nfs/dbraw/zinc/33/98/74/458339874.db2.gz NFPKKQIUFNGFFL-DNVCBOLYSA-N 2 1 325.456 3.016 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000429534414 458341802 /nfs/dbraw/zinc/34/18/02/458341802.db2.gz ZURZBWBMEHCCPP-CQSZACIVSA-N 2 1 346.393 3.380 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000429534414 458341807 /nfs/dbraw/zinc/34/18/07/458341807.db2.gz ZURZBWBMEHCCPP-CQSZACIVSA-N 2 1 346.393 3.380 20 0 EGADMP CC(C)[C@@H](CNC1CC[NH+](C2CC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000459394433 458357043 /nfs/dbraw/zinc/35/70/43/458357043.db2.gz UAERVBLRCPOFRK-JOCHJYFZSA-N 2 1 341.543 3.286 20 0 EGADMP CC(C)(C)C1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000459420431 458364921 /nfs/dbraw/zinc/36/49/21/458364921.db2.gz BQBGTJXWIVZODZ-DCCYDQLOSA-N 2 1 330.516 3.284 20 0 EGADMP CC(C)(C)C1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000459420431 458364924 /nfs/dbraw/zinc/36/49/24/458364924.db2.gz BQBGTJXWIVZODZ-DCCYDQLOSA-N 2 1 330.516 3.284 20 0 EGADMP CC(C)c1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000448073591 458387014 /nfs/dbraw/zinc/38/70/14/458387014.db2.gz DIXJIBGPSPZYTK-QAPCUYQASA-N 2 1 343.519 3.119 20 0 EGADMP CC(C)c1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000448073591 458387018 /nfs/dbraw/zinc/38/70/18/458387018.db2.gz DIXJIBGPSPZYTK-QAPCUYQASA-N 2 1 343.519 3.119 20 0 EGADMP CC(C)OC1CC([N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000459502383 458393706 /nfs/dbraw/zinc/39/37/06/458393706.db2.gz PAZWGUSYGGRHNK-QAJIEZEQSA-N 2 1 328.500 3.396 20 0 EGADMP CC(C)OC1CC([NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000459502383 458393713 /nfs/dbraw/zinc/39/37/13/458393713.db2.gz PAZWGUSYGGRHNK-QAJIEZEQSA-N 2 1 328.500 3.396 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000423441821 458434014 /nfs/dbraw/zinc/43/40/14/458434014.db2.gz WGMRFQDKHSCAPM-UZLBHIALSA-N 2 1 337.467 3.101 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)[C@H]2CCC[C@@H]21 ZINC000423452542 458435818 /nfs/dbraw/zinc/43/58/18/458435818.db2.gz ZAEGOCCDUWRHTD-SPUZQDLCSA-N 2 1 329.488 3.333 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)cc1 ZINC000437214554 458436050 /nfs/dbraw/zinc/43/60/50/458436050.db2.gz NOWDZIVUQCBCGO-HXUWFJFHSA-N 2 1 345.531 3.475 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000373227941 458437273 /nfs/dbraw/zinc/43/72/73/458437273.db2.gz LAKWJEOJWZBZLN-MRXNPFEDSA-N 2 1 332.423 3.049 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000373227941 458437277 /nfs/dbraw/zinc/43/72/77/458437277.db2.gz LAKWJEOJWZBZLN-MRXNPFEDSA-N 2 1 332.423 3.049 20 0 EGADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(F)cc(Br)c1 ZINC000423495752 458443336 /nfs/dbraw/zinc/44/33/36/458443336.db2.gz VHHAABCHTKHOBM-HUUCEWRRSA-N 2 1 345.256 3.007 20 0 EGADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423531080 458452047 /nfs/dbraw/zinc/45/20/47/458452047.db2.gz QEFWWLRQYGSMCU-BTHPGYMESA-N 2 1 344.499 3.234 20 0 EGADMP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)n2)cc1F ZINC000430571095 458463778 /nfs/dbraw/zinc/46/37/78/458463778.db2.gz LDVOZMYSWTUKNC-ZBFHGGJFSA-N 2 1 346.450 3.176 20 0 EGADMP COc1ccc(OC(F)F)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459739427 458464605 /nfs/dbraw/zinc/46/46/05/458464605.db2.gz SORKQELWQLZIFH-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000430578789 458465649 /nfs/dbraw/zinc/46/56/49/458465649.db2.gz XPJMDYKHHPWLHS-QFBILLFUSA-N 2 1 325.456 3.220 20 0 EGADMP CC[NH2+]CC1CC[NH+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000430596260 458468998 /nfs/dbraw/zinc/46/89/98/458468998.db2.gz ZUIFTDWXNXMBFE-GOSISDBHSA-N 2 1 349.906 3.157 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1)C1CC1 ZINC000430625906 458473014 /nfs/dbraw/zinc/47/30/14/458473014.db2.gz KCESOFWEDJPSCV-IBGZPJMESA-N 2 1 343.515 3.179 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000430763697 458489183 /nfs/dbraw/zinc/48/91/83/458489183.db2.gz QBGDDTVMPHQNTG-RBUKOAKNSA-N 2 1 337.552 3.255 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC2(C1)CCCCC2)c1ccccc1 ZINC000460381129 458514707 /nfs/dbraw/zinc/51/47/07/458514707.db2.gz QFRBJJGSXVNCNV-LJQANCHMSA-N 2 1 343.515 3.062 20 0 EGADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CC[C@@H]2CCOC2)CC3)cc1 ZINC000438120733 458537767 /nfs/dbraw/zinc/53/77/67/458537767.db2.gz XASONDDJHOWWRT-HXUWFJFHSA-N 2 1 328.500 3.401 20 0 EGADMP CC[C@H]1CN(c2cc(C)c3ccc(C)cc3n2)CC[N@H+]1C[C@H](C)O ZINC000460943598 458541029 /nfs/dbraw/zinc/54/10/29/458541029.db2.gz MZYQTJCJPBAYMQ-IRXDYDNUSA-N 2 1 327.472 3.133 20 0 EGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000469285068 458563984 /nfs/dbraw/zinc/56/39/84/458563984.db2.gz SKOCHUXAVUCYKD-KDURUIRLSA-N 2 1 330.516 3.440 20 0 EGADMP Cc1cc(F)c(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(F)c1 ZINC000424148299 458571069 /nfs/dbraw/zinc/57/10/69/458571069.db2.gz UEXZSXIGSGMLDM-UHFFFAOYSA-N 2 1 346.425 3.439 20 0 EGADMP COC(=O)CC1CC([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000424260772 458596330 /nfs/dbraw/zinc/59/63/30/458596330.db2.gz DMPLUSBZPKQUEK-VXESANQCSA-N 2 1 344.499 3.492 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1nc3cc(Cl)ccc3n1C)CC[NH2+]CC2 ZINC000424285055 458604572 /nfs/dbraw/zinc/60/45/72/458604572.db2.gz FACQUYWFYLKKNG-CYBMUJFWSA-N 2 1 332.879 3.191 20 0 EGADMP CCn1c2cccc(F)c2nc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424294420 458606937 /nfs/dbraw/zinc/60/69/37/458606937.db2.gz QFWSSPHMABBYQS-CQSZACIVSA-N 2 1 330.451 3.159 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1csc(-c3ccccn3)n1)CC[NH2+]CC2 ZINC000424297403 458607955 /nfs/dbraw/zinc/60/79/55/458607955.db2.gz SNWCZGSQOVSXQM-CQSZACIVSA-N 2 1 328.485 3.169 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000470009489 458608289 /nfs/dbraw/zinc/60/82/89/458608289.db2.gz RVCZOHYAQNNIDD-KRWDZBQOSA-N 2 1 328.431 3.446 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000470009489 458608295 /nfs/dbraw/zinc/60/82/95/458608295.db2.gz RVCZOHYAQNNIDD-KRWDZBQOSA-N 2 1 328.431 3.446 20 0 EGADMP Cc1sc(NC(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)c1C ZINC000424300521 458609465 /nfs/dbraw/zinc/60/94/65/458609465.db2.gz WNIHFEARMRIULF-GFCCVEGCSA-N 2 1 335.517 3.076 20 0 EGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431785232 458624202 /nfs/dbraw/zinc/62/42/02/458624202.db2.gz ORPFWNKBDNXIJJ-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424370462 458628145 /nfs/dbraw/zinc/62/81/45/458628145.db2.gz CKBJTAVVQKHOFD-OAHLLOKOSA-N 2 1 342.462 3.284 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000439077952 458651189 /nfs/dbraw/zinc/65/11/89/458651189.db2.gz MPVUBOQNVXMIAN-CABCVRRESA-N 2 1 333.476 3.036 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000546723499 458666256 /nfs/dbraw/zinc/66/62/56/458666256.db2.gz XXPHPGXQPZETCM-LJQANCHMSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)CC1 ZINC000456519605 458699773 /nfs/dbraw/zinc/69/97/73/458699773.db2.gz ATBOBHTUEJSRPL-KRWDZBQOSA-N 2 1 343.515 3.227 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)CC3 ZINC000547310340 458716646 /nfs/dbraw/zinc/71/66/46/458716646.db2.gz LGQVBWCPNGCANY-OAHLLOKOSA-N 2 1 341.499 3.498 20 0 EGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432438698 458740156 /nfs/dbraw/zinc/74/01/56/458740156.db2.gz BUQNUDRPDSJFDM-FXAWDEMLSA-N 2 1 336.495 3.483 20 0 EGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432438698 458740160 /nfs/dbraw/zinc/74/01/60/458740160.db2.gz BUQNUDRPDSJFDM-FXAWDEMLSA-N 2 1 336.495 3.483 20 0 EGADMP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH+]cnc2[nH]ccc21 ZINC000439687608 458740540 /nfs/dbraw/zinc/74/05/40/458740540.db2.gz XXJRKARISMQRDN-KRWDZBQOSA-N 2 1 335.455 3.306 20 0 EGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH+]cnc2[nH]ccc21 ZINC000439687608 458740547 /nfs/dbraw/zinc/74/05/47/458740547.db2.gz XXJRKARISMQRDN-KRWDZBQOSA-N 2 1 335.455 3.306 20 0 EGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432438700 458740583 /nfs/dbraw/zinc/74/05/83/458740583.db2.gz BUQNUDRPDSJFDM-XLIONFOSSA-N 2 1 336.495 3.483 20 0 EGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432438700 458740588 /nfs/dbraw/zinc/74/05/88/458740588.db2.gz BUQNUDRPDSJFDM-XLIONFOSSA-N 2 1 336.495 3.483 20 0 EGADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530355233 458753230 /nfs/dbraw/zinc/75/32/30/458753230.db2.gz MJMFPBXOATUTBW-GFCCVEGCSA-N 2 1 327.457 3.140 20 0 EGADMP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1Cl ZINC000495088741 458798349 /nfs/dbraw/zinc/79/83/49/458798349.db2.gz MRHUYWCRESHKRT-QLFBSQMISA-N 2 1 337.870 3.274 20 0 EGADMP Cc1cc(NCCC[N@H+]2CCCO[C@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000432878330 458805537 /nfs/dbraw/zinc/80/55/37/458805537.db2.gz IADUPXXSAXUXIE-OAHLLOKOSA-N 2 1 331.435 3.017 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495301794 458829105 /nfs/dbraw/zinc/82/91/05/458829105.db2.gz ISCFESUSCHEESY-ULQDDVLXSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000495508640 458871449 /nfs/dbraw/zinc/87/14/49/458871449.db2.gz IKAJIAIZQVNUAN-IAGOWNOFSA-N 2 1 339.524 3.098 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1)C1CC1 ZINC000531119965 458875113 /nfs/dbraw/zinc/87/51/13/458875113.db2.gz QLJCOXCGZWFNIA-FQEVSTJZSA-N 2 1 343.515 3.227 20 0 EGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccccc2Cl)c2cccs2)CC1 ZINC000518749090 458890227 /nfs/dbraw/zinc/89/02/27/458890227.db2.gz NJBKHDDXGOZJEX-QGZVFWFLSA-N 2 1 349.931 3.480 20 0 EGADMP CN(CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000495600841 458894042 /nfs/dbraw/zinc/89/40/42/458894042.db2.gz ICVMZVNZIHQOPB-QZTJIDSGSA-N 2 1 347.503 3.278 20 0 EGADMP CN(CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000495600841 458894048 /nfs/dbraw/zinc/89/40/48/458894048.db2.gz ICVMZVNZIHQOPB-QZTJIDSGSA-N 2 1 347.503 3.278 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H]1C ZINC000474611617 458894189 /nfs/dbraw/zinc/89/41/89/458894189.db2.gz GJPOSTFVCZDBKV-ADHGMGHFSA-N 2 1 338.536 3.310 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H]1C ZINC000474611617 458894194 /nfs/dbraw/zinc/89/41/94/458894194.db2.gz GJPOSTFVCZDBKV-ADHGMGHFSA-N 2 1 338.536 3.310 20 0 EGADMP CC(C)COc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000441269718 458908715 /nfs/dbraw/zinc/90/87/15/458908715.db2.gz SBEGCFSBNQFVGL-SFHLNBCPSA-N 2 1 346.515 3.405 20 0 EGADMP CC(C)COc1ccccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000441269718 458908719 /nfs/dbraw/zinc/90/87/19/458908719.db2.gz SBEGCFSBNQFVGL-SFHLNBCPSA-N 2 1 346.515 3.405 20 0 EGADMP CCNC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000519138327 458919082 /nfs/dbraw/zinc/91/90/82/458919082.db2.gz VVEKXSUWGSMKGK-VQTJNVASSA-N 2 1 337.467 3.019 20 0 EGADMP C[C@H](C(=O)Nc1cccc(Cl)c1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000441332341 458920641 /nfs/dbraw/zinc/92/06/41/458920641.db2.gz QYCOFXVHQMVKPL-PBHICJAKSA-N 2 1 337.895 3.473 20 0 EGADMP CC(C)[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCCCC1 ZINC000475131080 458921090 /nfs/dbraw/zinc/92/10/90/458921090.db2.gz PYGHPKUVBCJSES-FQEVSTJZSA-N 2 1 345.531 3.449 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCN4CC=CCC4)[C@@H]3C2)cc1 ZINC000475500448 458947244 /nfs/dbraw/zinc/94/72/44/458947244.db2.gz BQRHIPOZCLKPRO-BHDDXSALSA-N 2 1 339.527 3.139 20 0 EGADMP OC[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000577028145 458964969 /nfs/dbraw/zinc/96/49/69/458964969.db2.gz DUUPJOBBCCMHEC-CLAROIROSA-N 2 1 342.527 3.285 20 0 EGADMP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1(C)C ZINC000531722780 458967912 /nfs/dbraw/zinc/96/79/12/458967912.db2.gz MJFUMGSNTLYGCO-OALUTQOASA-N 2 1 334.479 3.236 20 0 EGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000495863818 458982941 /nfs/dbraw/zinc/98/29/41/458982941.db2.gz FTDFXIUFUMHRRP-IXDOHACOSA-N 2 1 339.524 3.096 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@@H](C)c3cnccn3)C2)s1 ZINC000577324066 459014872 /nfs/dbraw/zinc/01/48/72/459014872.db2.gz HNBRVHAZRDMTAN-JKSUJKDBSA-N 2 1 330.501 3.361 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[C@H](C)[C@H](C)C3)CC2)CC1 ZINC000577387984 459027022 /nfs/dbraw/zinc/02/70/22/459027022.db2.gz YZCMHJLICYCJRO-YQVWRLOYSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000577408091 459028374 /nfs/dbraw/zinc/02/83/74/459028374.db2.gz GMLUNUNBGFBBFC-ZDUSSCGKSA-N 2 1 328.441 3.435 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000556909704 459031088 /nfs/dbraw/zinc/03/10/88/459031088.db2.gz IVCIEFJMHMLZAI-IIYDPXPESA-N 2 1 326.431 3.441 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000442758487 459031731 /nfs/dbraw/zinc/03/17/31/459031731.db2.gz IUFMZCYUSKEFRO-IAGOWNOFSA-N 2 1 337.467 3.351 20 0 EGADMP Cc1ccc([C@H]2CCC[C@H]2[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000442868419 459048147 /nfs/dbraw/zinc/04/81/47/459048147.db2.gz CEQVQKGQYXJGNA-WOJBJXKFSA-N 2 1 329.532 3.247 20 0 EGADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000442868417 459048492 /nfs/dbraw/zinc/04/84/92/459048492.db2.gz CEQVQKGQYXJGNA-VQTJNVASSA-N 2 1 329.532 3.247 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000567113943 459049165 /nfs/dbraw/zinc/04/91/65/459049165.db2.gz ZAYPERUCZXUFRZ-MISYRCLQSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[C@@H](CCc1ccccc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442879191 459050651 /nfs/dbraw/zinc/05/06/51/459050651.db2.gz WHBNRCTXLKPOKJ-FQEVSTJZSA-N 2 1 331.548 3.404 20 0 EGADMP CSc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000442894366 459056613 /nfs/dbraw/zinc/05/66/13/459056613.db2.gz ZCXKTAZGIIBXKV-WBAXXEDZSA-N 2 1 334.529 3.437 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000477931109 459068002 /nfs/dbraw/zinc/06/80/02/459068002.db2.gz YIBZZWRMZOITNH-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000477931109 459067995 /nfs/dbraw/zinc/06/79/95/459067995.db2.gz YIBZZWRMZOITNH-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000577676385 459071661 /nfs/dbraw/zinc/07/16/61/459071661.db2.gz BUVILPACXULZON-UZLBHIALSA-N 2 1 341.499 3.228 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](C(C)(C)C)C3)CC2)CC1 ZINC000520607716 459078354 /nfs/dbraw/zinc/07/83/54/459078354.db2.gz IHUHYIOPMCVAKX-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443058144 459079680 /nfs/dbraw/zinc/07/96/80/459079680.db2.gz JLTGIHARASODCY-IEBWSBKVSA-N 2 1 345.531 3.123 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058132 459079961 /nfs/dbraw/zinc/07/99/61/459079961.db2.gz JLDQODDJVWEEOV-ARFHVFGLSA-N 2 1 343.471 3.059 20 0 EGADMP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443061064 459080818 /nfs/dbraw/zinc/08/08/18/459080818.db2.gz QUXMBZZWVJEOJK-AOIWGVFYSA-N 2 1 331.504 3.093 20 0 EGADMP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443061065 459081231 /nfs/dbraw/zinc/08/12/31/459081231.db2.gz QUXMBZZWVJEOJK-LMMKCTJWSA-N 2 1 331.504 3.093 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCN(C3CCCCC3)C2=O)CC1 ZINC000443089923 459087158 /nfs/dbraw/zinc/08/71/58/459087158.db2.gz FDXJSEPNKBNRSJ-SFHVURJKSA-N 2 1 335.536 3.163 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCCCC[NH2+]2)cc1 ZINC000567390510 459099343 /nfs/dbraw/zinc/09/93/43/459099343.db2.gz CADVFIHDJWPLBI-PXNSSMCTSA-N 2 1 343.515 3.209 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]3CN(CCC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC000558477733 459164547 /nfs/dbraw/zinc/16/45/47/459164547.db2.gz HUZRNRBRYXDCIL-VXKWHMMOSA-N 2 1 341.543 3.316 20 0 EGADMP FC(F)(F)c1ccccc1OCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479757521 459164667 /nfs/dbraw/zinc/16/46/67/459164667.db2.gz SFTJOIKVZGUBPH-OKILXGFUSA-N 2 1 328.378 3.016 20 0 EGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)Nc1cccc2ccccc21 ZINC000521988175 459200206 /nfs/dbraw/zinc/20/02/06/459200206.db2.gz XJLOMXWRTKZRQL-SIFCLUCFSA-N 2 1 325.456 3.145 20 0 EGADMP COc1cc2c(cc1C[N@H+]1CC[C@H](C3CC[NH+](C)CC3)C1)O[C@@H](C)C2 ZINC000568140263 459231253 /nfs/dbraw/zinc/23/12/53/459231253.db2.gz CHMYEIQUSNDZMV-RDJZCZTQSA-N 2 1 344.499 3.182 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595063739 459232925 /nfs/dbraw/zinc/23/29/25/459232925.db2.gz XPBSTCDWDKBUHN-SLIQAVJXSA-N 2 1 348.556 3.176 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595063739 459232933 /nfs/dbraw/zinc/23/29/33/459232933.db2.gz XPBSTCDWDKBUHN-SLIQAVJXSA-N 2 1 348.556 3.176 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC[N@H+]1C ZINC000496568361 459242815 /nfs/dbraw/zinc/24/28/15/459242815.db2.gz GVEUGIUMYPJJNJ-LTIDMASMSA-N 2 1 339.524 3.094 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1)C(C)C ZINC000523118066 459281119 /nfs/dbraw/zinc/28/11/19/459281119.db2.gz ZRFFIYCZWKNOBD-QGZVFWFLSA-N 2 1 331.504 3.131 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000582005700 459290261 /nfs/dbraw/zinc/29/02/61/459290261.db2.gz HEKKBEJCZNWAHR-IBGZPJMESA-N 2 1 337.467 3.257 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000482481332 459311727 /nfs/dbraw/zinc/31/17/27/459311727.db2.gz OVFYTZNRMUPBDE-APWZRJJASA-N 2 1 345.531 3.180 20 0 EGADMP C[C@@H](CC1CCCCC1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000523695350 459323890 /nfs/dbraw/zinc/32/38/90/459323890.db2.gz NRFCXZZPEBZBTQ-INIZCTEOSA-N 2 1 344.503 3.378 20 0 EGADMP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000482986417 459333964 /nfs/dbraw/zinc/33/39/64/459333964.db2.gz SHGDLOKZVXZJME-GOSISDBHSA-N 2 1 335.536 3.023 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](C)CCC[C@H]3C)CC2)CC1 ZINC000582496606 459375464 /nfs/dbraw/zinc/37/54/64/459375464.db2.gz LJYNWECTNNDUDS-ZWKOTPCHSA-N 2 1 349.563 3.220 20 0 EGADMP Fc1ccc(-c2noc([C@@H]3CCC[N@@H+](CC[C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000582537134 459382089 /nfs/dbraw/zinc/38/20/89/459382089.db2.gz PGBWSAJVAIMLLZ-GOEBONIOSA-N 2 1 344.434 3.055 20 0 EGADMP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)c2)CC1 ZINC000540748559 459385035 /nfs/dbraw/zinc/38/50/35/459385035.db2.gz QFAGRXCBUGFYFW-LVCYWYKZSA-N 2 1 344.547 3.358 20 0 EGADMP C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCCc1cncn1C ZINC000496972539 459390838 /nfs/dbraw/zinc/39/08/38/459390838.db2.gz DNWZYZJFQPXSPO-HNNXBMFYSA-N 2 1 342.443 3.002 20 0 EGADMP C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000496972539 459390844 /nfs/dbraw/zinc/39/08/44/459390844.db2.gz DNWZYZJFQPXSPO-HNNXBMFYSA-N 2 1 342.443 3.002 20 0 EGADMP C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000496972539 459390847 /nfs/dbraw/zinc/39/08/47/459390847.db2.gz DNWZYZJFQPXSPO-HNNXBMFYSA-N 2 1 342.443 3.002 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1cccc(Br)c1 ZINC000483817468 459394877 /nfs/dbraw/zinc/39/48/77/459394877.db2.gz KLESMMOBDARPGW-GUTXKFCHSA-N 2 1 341.293 3.289 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000569101337 459395709 /nfs/dbraw/zinc/39/57/09/459395709.db2.gz JPSBCTQARRAGEB-PIKOESSRSA-N 2 1 343.515 3.330 20 0 EGADMP CCC[N@H+](CCCc1c[nH+]cn1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000582674349 459408099 /nfs/dbraw/zinc/40/80/99/459408099.db2.gz OCIADZOXTXNPSM-INIZCTEOSA-N 2 1 328.460 3.092 20 0 EGADMP CCC[N@@H+](CCCc1c[nH+]cn1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000582674349 459408105 /nfs/dbraw/zinc/40/81/05/459408105.db2.gz OCIADZOXTXNPSM-INIZCTEOSA-N 2 1 328.460 3.092 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C)cc(C)c3)CC2)CC1 ZINC000561078574 459417065 /nfs/dbraw/zinc/41/70/65/459417065.db2.gz XYYYQCDIBHPJKV-UHFFFAOYSA-N 2 1 343.515 3.438 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000583013434 459466889 /nfs/dbraw/zinc/46/68/89/459466889.db2.gz ZYEJKAIBWQDGHE-DOTOQJQBSA-N 2 1 344.503 3.181 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000583013436 459467780 /nfs/dbraw/zinc/46/77/80/459467780.db2.gz ZYEJKAIBWQDGHE-RDJZCZTQSA-N 2 1 344.503 3.181 20 0 EGADMP COC[C@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000542516843 459564532 /nfs/dbraw/zinc/56/45/32/459564532.db2.gz KUFHZHKKXGDYKI-QFIPXVFZSA-N 2 1 338.495 3.282 20 0 EGADMP COC[C@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000542516843 459564537 /nfs/dbraw/zinc/56/45/37/459564537.db2.gz KUFHZHKKXGDYKI-QFIPXVFZSA-N 2 1 338.495 3.282 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000526986403 459571374 /nfs/dbraw/zinc/57/13/74/459571374.db2.gz FKRFRCUQHZGBMW-IBGZPJMESA-N 2 1 346.421 3.481 20 0 EGADMP C[NH+](C)Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2cncnc2)cc1 ZINC000542669146 459580651 /nfs/dbraw/zinc/58/06/51/459580651.db2.gz AMNHGUQJURRFKX-NRFANRHFSA-N 2 1 332.451 3.417 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000527222291 459611031 /nfs/dbraw/zinc/61/10/31/459611031.db2.gz RTEKCQASIMOZIC-UHFFFAOYSA-N 2 1 325.447 3.132 20 0 EGADMP c1ccc(-c2noc([C@@H]3CCCC[N@@H+]3CC[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000583922373 459619778 /nfs/dbraw/zinc/61/97/78/459619778.db2.gz OAHZSJHNUYQZRZ-RDJZCZTQSA-N 2 1 326.444 3.263 20 0 EGADMP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1CCCCC1 ZINC000543740184 459693030 /nfs/dbraw/zinc/69/30/30/459693030.db2.gz BKKYRPLODQDWQG-MBDNFAEBSA-N 2 1 342.527 3.428 20 0 EGADMP Fc1ccc(COc2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000563150300 459725162 /nfs/dbraw/zinc/72/51/62/459725162.db2.gz JSKOBDOLJXXKNB-MOPGFXCFSA-N 2 1 340.442 3.446 20 0 EGADMP Fc1ccc(COc2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000563150300 459725169 /nfs/dbraw/zinc/72/51/69/459725169.db2.gz JSKOBDOLJXXKNB-MOPGFXCFSA-N 2 1 340.442 3.446 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)[C@@H](C)C1 ZINC000544357270 459751774 /nfs/dbraw/zinc/75/17/74/459751774.db2.gz IUZGOUOITFHIJZ-LXDWIVHCSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)[C@@H](C)C1 ZINC000544357270 459751779 /nfs/dbraw/zinc/75/17/79/459751779.db2.gz IUZGOUOITFHIJZ-LXDWIVHCSA-N 2 1 330.516 3.284 20 0 EGADMP C[NH+]1CCC([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)CC1 ZINC000527939081 459776625 /nfs/dbraw/zinc/77/66/25/459776625.db2.gz LOSGTDWCOPPDHU-UHFFFAOYSA-N 2 1 332.492 3.076 20 0 EGADMP c1cc(C[NH+]2CCC(NC[C@H]3CC[N@@H+]3C3CCCCC3)CC2)ccn1 ZINC000527945351 459778394 /nfs/dbraw/zinc/77/83/94/459778394.db2.gz GEFMAIDQHBTZGK-OAQYLSRUSA-N 2 1 342.531 3.043 20 0 EGADMP c1cc(C[NH+]2CCC(NC[C@H]3CC[N@H+]3C3CCCCC3)CC2)ccn1 ZINC000527945351 459778397 /nfs/dbraw/zinc/77/83/97/459778397.db2.gz GEFMAIDQHBTZGK-OAQYLSRUSA-N 2 1 342.531 3.043 20 0 EGADMP CC(C)c1[nH+]c(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c2ccccn21 ZINC000574761065 459868754 /nfs/dbraw/zinc/86/87/54/459868754.db2.gz DIZZGXNRNSFOSJ-FQEVSTJZSA-N 2 1 326.488 3.375 20 0 EGADMP CC(C)c1[nH+]c(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c2ccccn21 ZINC000574761065 459868756 /nfs/dbraw/zinc/86/87/56/459868756.db2.gz DIZZGXNRNSFOSJ-FQEVSTJZSA-N 2 1 326.488 3.375 20 0 EGADMP C[NH+]1CCN([C@H](C[NH2+]C/C=C\c2ccccc2)c2cccs2)CC1 ZINC000588176996 459926851 /nfs/dbraw/zinc/92/68/51/459926851.db2.gz ZJDXBNUAAXSIMI-FVXMCEBTSA-N 2 1 341.524 3.340 20 0 EGADMP COc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)ccc1OC(F)F ZINC000575181632 459942739 /nfs/dbraw/zinc/94/27/39/459942739.db2.gz RMXWDKANOHAMIK-UHFFFAOYSA-N 2 1 328.403 3.118 20 0 EGADMP COc1ccc(C)cc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710759 459973832 /nfs/dbraw/zinc/97/38/32/459973832.db2.gz VUWJTVOWQYRCMF-HDICACEKSA-N 2 1 346.515 3.325 20 0 EGADMP CSC[C@H](CCO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602556770 459996148 /nfs/dbraw/zinc/99/61/48/459996148.db2.gz MPWBJSUQADIWAK-LNLFQRSKSA-N 2 1 334.529 3.058 20 0 EGADMP CSC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602556770 459996153 /nfs/dbraw/zinc/99/61/53/459996153.db2.gz MPWBJSUQADIWAK-LNLFQRSKSA-N 2 1 334.529 3.058 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC23CCC[NH+]2CCC3)cc1 ZINC000614228935 460057300 /nfs/dbraw/zinc/05/73/00/460057300.db2.gz ZVDFSTJMFOHYAK-UHFFFAOYSA-N 2 1 343.515 3.277 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC000621764975 460058145 /nfs/dbraw/zinc/05/81/45/460058145.db2.gz PLGLAXPSAQDVJP-ICSRJNTNSA-N 2 1 341.499 3.196 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H](C(C)C)C3)CC2)CC1 ZINC000576051872 460060462 /nfs/dbraw/zinc/06/04/62/460060462.db2.gz UZQBFNJYWYDBHY-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP [NH3+][C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000621780016 460061485 /nfs/dbraw/zinc/06/14/85/460061485.db2.gz MKOSUBJJYJIOFA-ZBEGNZNMSA-N 2 1 342.270 3.135 20 0 EGADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000621780016 460061492 /nfs/dbraw/zinc/06/14/92/460061492.db2.gz MKOSUBJJYJIOFA-ZBEGNZNMSA-N 2 1 342.270 3.135 20 0 EGADMP Oc1ccc(Cl)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000625208757 460071858 /nfs/dbraw/zinc/07/18/58/460071858.db2.gz FBDOCVKDQOCHPX-UHFFFAOYSA-N 2 1 338.879 3.122 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ccc(F)c(F)c3)C2)CC1 ZINC000610250480 460098337 /nfs/dbraw/zinc/09/83/37/460098337.db2.gz RFQCYTNJEKJHPQ-DOTOQJQBSA-N 2 1 337.458 3.126 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccc(F)c(F)c3)C2)CC1 ZINC000610250480 460098342 /nfs/dbraw/zinc/09/83/42/460098342.db2.gz RFQCYTNJEKJHPQ-DOTOQJQBSA-N 2 1 337.458 3.126 20 0 EGADMP COC(=O)CCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000599306416 460223323 /nfs/dbraw/zinc/22/33/23/460223323.db2.gz IAXVMQNPBWXKLL-HKUYNNGSSA-N 2 1 332.488 3.315 20 0 EGADMP COC(=O)CCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000599306416 460223326 /nfs/dbraw/zinc/22/33/26/460223326.db2.gz IAXVMQNPBWXKLL-HKUYNNGSSA-N 2 1 332.488 3.315 20 0 EGADMP COC(=O)CCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000599306416 460223329 /nfs/dbraw/zinc/22/33/29/460223329.db2.gz IAXVMQNPBWXKLL-HKUYNNGSSA-N 2 1 332.488 3.315 20 0 EGADMP COC(=O)CCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000599306416 460223333 /nfs/dbraw/zinc/22/33/33/460223333.db2.gz IAXVMQNPBWXKLL-HKUYNNGSSA-N 2 1 332.488 3.315 20 0 EGADMP Cc1cccc([C@@H](CNc2cc[nH+]c3ccccc23)[NH+]2CCOCC2)c1 ZINC000599497173 460262585 /nfs/dbraw/zinc/26/25/85/460262585.db2.gz IYUIQQBOSIIVAV-JOCHJYFZSA-N 2 1 347.462 3.451 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+]([C@H](C)CC)CC2)cc1 ZINC000622658477 460291747 /nfs/dbraw/zinc/29/17/47/460291747.db2.gz YOYGWQSBPAVSLD-GOSISDBHSA-N 2 1 345.531 3.475 20 0 EGADMP C[C@@H]1C[C@@H]1C[N@@H+](CCCC[NH+](C)[C@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000625932516 460308070 /nfs/dbraw/zinc/30/80/70/460308070.db2.gz AMUWRAAKTLKYNQ-YSTOQKLRSA-N 2 1 338.536 3.014 20 0 EGADMP C[C@@H]1C[C@@H]1C[NH+](CCCC[N@H+](C)[C@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000625932516 460308077 /nfs/dbraw/zinc/30/80/77/460308077.db2.gz AMUWRAAKTLKYNQ-YSTOQKLRSA-N 2 1 338.536 3.014 20 0 EGADMP C[C@@H]1C[C@@H]1C[NH+](CCCC[N@@H+](C)[C@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000625932516 460308081 /nfs/dbraw/zinc/30/80/81/460308081.db2.gz AMUWRAAKTLKYNQ-YSTOQKLRSA-N 2 1 338.536 3.014 20 0 EGADMP Cc1ccc([C@@H](C)C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000600120177 460392004 /nfs/dbraw/zinc/39/20/04/460392004.db2.gz JBTIYYWSLFDUPG-FPOVZHCZSA-N 2 1 329.532 3.199 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1C ZINC000600125827 460393718 /nfs/dbraw/zinc/39/37/18/460393718.db2.gz QNZHOWYHZRIVIY-QGZVFWFLSA-N 2 1 347.503 3.259 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1C ZINC000600125827 460393724 /nfs/dbraw/zinc/39/37/24/460393724.db2.gz QNZHOWYHZRIVIY-QGZVFWFLSA-N 2 1 347.503 3.259 20 0 EGADMP COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000631575507 460451727 /nfs/dbraw/zinc/45/17/27/460451727.db2.gz MOWIGOBJVLLBCS-PBHICJAKSA-N 2 1 329.444 3.340 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000631624900 460477097 /nfs/dbraw/zinc/47/70/97/460477097.db2.gz SKFMVNCUALOYIL-MUGJNUQGSA-N 2 1 326.484 3.056 20 0 EGADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCCC1=CCCCC1 ZINC000604773421 460477982 /nfs/dbraw/zinc/47/79/82/460477982.db2.gz OCJOZISRUASPNY-AEFFLSMTSA-N 2 1 337.552 3.338 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cnn(C)c1 ZINC000631664505 460497505 /nfs/dbraw/zinc/49/75/05/460497505.db2.gz OETCYVXOTVPYPF-KPFFTGBYSA-N 2 1 326.488 3.229 20 0 EGADMP Cc1csc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)n1 ZINC000623903001 460768537 /nfs/dbraw/zinc/76/85/37/460768537.db2.gz WNZLWSGMADKODW-CYBMUJFWSA-N 2 1 331.489 3.178 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)CC[C@@H]1C(F)(F)F ZINC000629563522 460811257 /nfs/dbraw/zinc/81/12/57/460811257.db2.gz RJSCZZAQQLAFDR-AAEUAGOBSA-N 2 1 338.320 3.247 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)CC[C@@H]1C(F)(F)F ZINC000629563522 460811260 /nfs/dbraw/zinc/81/12/60/460811260.db2.gz RJSCZZAQQLAFDR-AAEUAGOBSA-N 2 1 338.320 3.247 20 0 EGADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120997 460869925 /nfs/dbraw/zinc/86/99/25/460869925.db2.gz LHHQEFQMJZTPJH-SJORKVTESA-N 2 1 331.504 3.288 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000613491421 460970148 /nfs/dbraw/zinc/97/01/48/460970148.db2.gz QSKJSFZEEMVVMY-SFHVURJKSA-N 2 1 345.531 3.308 20 0 EGADMP Cc1nc2cc(CNC(=O)C[N@H+](C)CC(C)(C)C)ccc2n1C1CC1 ZINC000635906612 460971533 /nfs/dbraw/zinc/97/15/33/460971533.db2.gz XEQRNIGTZBTNDX-UHFFFAOYSA-N 2 1 342.487 3.274 20 0 EGADMP Cc1csc([C@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000662260178 461148177 /nfs/dbraw/zinc/14/81/77/461148177.db2.gz IXZHJLRUDJLVJE-KRWDZBQOSA-N 2 1 327.497 3.477 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)[C@H]1CC[NH3+] ZINC000652355141 461150667 /nfs/dbraw/zinc/15/06/67/461150667.db2.gz QBIPSWCYYOHGQQ-CJNGLKHVSA-N 2 1 348.878 3.382 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc3n2CCC3)CC1)CC(C)C ZINC000668167736 461151177 /nfs/dbraw/zinc/15/11/77/461151177.db2.gz DVPRHWOHCYXHKC-UHFFFAOYSA-N 2 1 332.536 3.409 20 0 EGADMP COc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363462 461158082 /nfs/dbraw/zinc/15/80/82/461158082.db2.gz FMCRCAZMRHPOEI-JFIYKMOQSA-N 2 1 338.879 3.209 20 0 EGADMP Cc1cc(C)c(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(C)c1 ZINC000662290482 461168510 /nfs/dbraw/zinc/16/85/10/461168510.db2.gz VTUBMTRPENCERI-LJQANCHMSA-N 2 1 343.515 3.262 20 0 EGADMP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291923 461169258 /nfs/dbraw/zinc/16/92/58/461169258.db2.gz ZMQMMBYUQONPHL-HOCLYGCPSA-N 2 1 340.471 3.108 20 0 EGADMP CO[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)C1CCOCC1 ZINC000637978484 461169854 /nfs/dbraw/zinc/16/98/54/461169854.db2.gz PIECMSGZIBGSGE-NLWGTHIKSA-N 2 1 338.536 3.014 20 0 EGADMP CO[C@H](C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)C1CCOCC1 ZINC000637978484 461169864 /nfs/dbraw/zinc/16/98/64/461169864.db2.gz PIECMSGZIBGSGE-NLWGTHIKSA-N 2 1 338.536 3.014 20 0 EGADMP CO[C@H](C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)C1CCOCC1 ZINC000637978484 461169870 /nfs/dbraw/zinc/16/98/70/461169870.db2.gz PIECMSGZIBGSGE-NLWGTHIKSA-N 2 1 338.536 3.014 20 0 EGADMP C[N@H+]1CCC[C@@H]1CN1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000649552038 461171500 /nfs/dbraw/zinc/17/15/00/461171500.db2.gz VDWIRKSUNZLNHY-NJDAHSKKSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1CCC[C@@H]1CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000649552038 461171506 /nfs/dbraw/zinc/17/15/06/461171506.db2.gz VDWIRKSUNZLNHY-NJDAHSKKSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1CCC[C@@H]1CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000649552038 461171513 /nfs/dbraw/zinc/17/15/13/461171513.db2.gz VDWIRKSUNZLNHY-NJDAHSKKSA-N 2 1 327.516 3.067 20 0 EGADMP CC(C)[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCO1 ZINC000646300294 461179089 /nfs/dbraw/zinc/17/90/89/461179089.db2.gz RPNQQOVPDHVBIR-NRFANRHFSA-N 2 1 346.515 3.408 20 0 EGADMP Brc1ccc2[nH]c3c(c2c1)C[N@H+](CC[C@H]1CC[NH2+]C1)CC3 ZINC000662304317 461179735 /nfs/dbraw/zinc/17/97/35/461179735.db2.gz IHJCMVOEIBYXCX-GFCCVEGCSA-N 2 1 348.288 3.288 20 0 EGADMP Brc1ccc2[nH]c3c(c2c1)C[N@@H+](CC[C@H]1CC[NH2+]C1)CC3 ZINC000662304317 461179740 /nfs/dbraw/zinc/17/97/40/461179740.db2.gz IHJCMVOEIBYXCX-GFCCVEGCSA-N 2 1 348.288 3.288 20 0 EGADMP C[C@@H](c1ccccn1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326879 461194374 /nfs/dbraw/zinc/19/43/74/461194374.db2.gz GCMARTVRPWQYHV-HNNXBMFYSA-N 2 1 339.487 3.212 20 0 EGADMP Cc1nc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cs1 ZINC000662326814 461194820 /nfs/dbraw/zinc/19/48/20/461194820.db2.gz CSWRPAYUPMYFOC-UHFFFAOYSA-N 2 1 345.516 3.021 20 0 EGADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1cccc2c1C[NH2+]C2 ZINC000662421278 461237367 /nfs/dbraw/zinc/23/73/67/461237367.db2.gz WXHTXXVVFBXNTK-IBGZPJMESA-N 2 1 349.478 3.074 20 0 EGADMP CC(C)CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000638111334 461244304 /nfs/dbraw/zinc/24/43/04/461244304.db2.gz DUFXGOLVPLHCHB-IHPCNDPISA-N 2 1 345.531 3.261 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@H](C[NH+]3CCCCC3)C1)CC2 ZINC000638119726 461252459 /nfs/dbraw/zinc/25/24/59/461252459.db2.gz ABMPVFVFSAUDNV-VQIMIIECSA-N 2 1 344.499 3.499 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@H](C[NH+]3CCCCC3)C1)CC2 ZINC000638119726 461252467 /nfs/dbraw/zinc/25/24/67/461252467.db2.gz ABMPVFVFSAUDNV-VQIMIIECSA-N 2 1 344.499 3.499 20 0 EGADMP CC[N@@H+](CCCNC(=O)c1cccc2c1C[NH2+]C2)C1CCCCC1 ZINC000662580644 461302757 /nfs/dbraw/zinc/30/27/57/461302757.db2.gz CBSKSTCJBDGPKT-UHFFFAOYSA-N 2 1 329.488 3.064 20 0 EGADMP CSc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)o1 ZINC000641732511 461341434 /nfs/dbraw/zinc/34/14/34/461341434.db2.gz FUKFLKBDMJGDJI-UHFFFAOYSA-N 2 1 346.496 3.248 20 0 EGADMP CC[NH+]1CCC(N[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638292058 461350861 /nfs/dbraw/zinc/35/08/61/461350861.db2.gz UESMVWCHWJKXOD-CTNGQTDRSA-N 2 1 327.516 3.428 20 0 EGADMP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000633953774 461352407 /nfs/dbraw/zinc/35/24/07/461352407.db2.gz PVAQIGHRHMJBLA-LJQANCHMSA-N 2 1 343.515 3.156 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633956625 461355195 /nfs/dbraw/zinc/35/51/95/461355195.db2.gz IVGVCZMKWKZKFH-KRWDZBQOSA-N 2 1 346.519 3.264 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000659468393 461359422 /nfs/dbraw/zinc/35/94/22/461359422.db2.gz AHMGKJXXONQRIU-UHFFFAOYSA-N 2 1 348.535 3.187 20 0 EGADMP c1ccc2c(c1)CCC[C@H]2C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655695615 461367390 /nfs/dbraw/zinc/36/73/90/461367390.db2.gz OJQCAYMWJPCBHE-AZUAARDMSA-N 2 1 328.500 3.340 20 0 EGADMP C[C@H](OCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655698791 461370705 /nfs/dbraw/zinc/37/07/05/461370705.db2.gz VWKPNTHNAZHPTA-GHTZIAJQSA-N 2 1 346.515 3.387 20 0 EGADMP c1ccc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H]2CCCO2)cc1 ZINC000655703076 461374429 /nfs/dbraw/zinc/37/44/29/461374429.db2.gz LIPOJXJXSLRWAE-HKBOAZHASA-N 2 1 344.499 3.140 20 0 EGADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655708934 461380682 /nfs/dbraw/zinc/38/06/82/461380682.db2.gz PUXPCUAUXWEBQN-MRXNPFEDSA-N 2 1 336.907 3.461 20 0 EGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000655721300 461390037 /nfs/dbraw/zinc/39/00/37/461390037.db2.gz MVFZWJFMUJXVOC-GOSISDBHSA-N 2 1 326.488 3.309 20 0 EGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000655721300 461390046 /nfs/dbraw/zinc/39/00/46/461390046.db2.gz MVFZWJFMUJXVOC-GOSISDBHSA-N 2 1 326.488 3.309 20 0 EGADMP Fc1ccc(CC2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000655724074 461393781 /nfs/dbraw/zinc/39/37/81/461393781.db2.gz RRENKFKZUOGAPV-HXUWFJFHSA-N 2 1 346.490 3.381 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000655729203 461396375 /nfs/dbraw/zinc/39/63/75/461396375.db2.gz DMPUQMGPIXMPRD-AWEZNQCLSA-N 2 1 341.434 3.251 20 0 EGADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000655733074 461401055 /nfs/dbraw/zinc/40/10/55/461401055.db2.gz IUNPBJJYEUNRAJ-RBUKOAKNSA-N 2 1 336.520 3.101 20 0 EGADMP FC(F)(F)[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655755701 461421954 /nfs/dbraw/zinc/42/19/54/461421954.db2.gz IPWKMEZYNKNTLE-SJORKVTESA-N 2 1 342.405 3.175 20 0 EGADMP C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000655762096 461429107 /nfs/dbraw/zinc/42/91/07/461429107.db2.gz AKUBGAALYDNCLK-SFTDATJTSA-N 2 1 349.563 3.017 20 0 EGADMP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc2ccccc21 ZINC000655772254 461438357 /nfs/dbraw/zinc/43/83/57/461438357.db2.gz LFWMEKZDAVDVMV-LJQANCHMSA-N 2 1 340.467 3.191 20 0 EGADMP CC[C@@H]1CN(C(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)CC[C@@H]1[NH3+] ZINC000647009538 461481169 /nfs/dbraw/zinc/48/11/69/461481169.db2.gz FNIOCQXBGKEUME-MJGOQNOKSA-N 2 1 331.504 3.116 20 0 EGADMP CCO[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000649991453 461503044 /nfs/dbraw/zinc/50/30/44/461503044.db2.gz BUNNIVGEJNUVAK-WTGUMLROSA-N 2 1 340.552 3.260 20 0 EGADMP CCO[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000649991453 461503052 /nfs/dbraw/zinc/50/30/52/461503052.db2.gz BUNNIVGEJNUVAK-WTGUMLROSA-N 2 1 340.552 3.260 20 0 EGADMP CCO[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000649991453 461503058 /nfs/dbraw/zinc/50/30/58/461503058.db2.gz BUNNIVGEJNUVAK-WTGUMLROSA-N 2 1 340.552 3.260 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000653109145 461504625 /nfs/dbraw/zinc/50/46/25/461504625.db2.gz WCEYVDFUESCXCY-XLIONFOSSA-N 2 1 343.515 3.067 20 0 EGADMP CCC(CC)(C[NH2+][C@@H]1CCCNC(=O)C1)[NH2+][C@H](C)c1ccccc1 ZINC000638638366 461514553 /nfs/dbraw/zinc/51/45/53/461514553.db2.gz CNRWIFBIEJQJNC-SJLPKXTDSA-N 2 1 331.504 3.154 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653168945 461533828 /nfs/dbraw/zinc/53/38/28/461533828.db2.gz UYTBAADWQVRFDA-LSTHTHJFSA-N 2 1 347.547 3.020 20 0 EGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]1Sc2ccccc2NC1=O ZINC000659998901 461536227 /nfs/dbraw/zinc/53/62/27/461536227.db2.gz ZHTKWSNVRVLLRW-RVKKMQEKSA-N 2 1 345.512 3.048 20 0 EGADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC[C@H]1Sc2ccccc2NC1=O ZINC000659998901 461536234 /nfs/dbraw/zinc/53/62/34/461536234.db2.gz ZHTKWSNVRVLLRW-RVKKMQEKSA-N 2 1 345.512 3.048 20 0 EGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC[C@H]1Sc2ccccc2NC1=O ZINC000659998901 461536244 /nfs/dbraw/zinc/53/62/44/461536244.db2.gz ZHTKWSNVRVLLRW-RVKKMQEKSA-N 2 1 345.512 3.048 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)o1 ZINC000647179925 461547893 /nfs/dbraw/zinc/54/78/93/461547893.db2.gz WAQGKLMIYMFKEG-INIZCTEOSA-N 2 1 330.476 3.199 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@H]([NH3+])c1ccc(C)cc1)C1CCCCC1 ZINC000653200706 461554863 /nfs/dbraw/zinc/55/48/63/461554863.db2.gz MWCMHVKWTHDSBP-LJQANCHMSA-N 2 1 331.504 3.156 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCCO[C@H]3CCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000638741080 461556950 /nfs/dbraw/zinc/55/69/50/461556950.db2.gz DDMPSHDBNMTFMK-JBACZVJFSA-N 2 1 344.499 3.140 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCCO[C@H]3CCOC3)CC[N@H+]2C2CC2)cc1 ZINC000638741080 461556960 /nfs/dbraw/zinc/55/69/60/461556960.db2.gz DDMPSHDBNMTFMK-JBACZVJFSA-N 2 1 344.499 3.140 20 0 EGADMP CC(=O)Nc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000631124268 461571366 /nfs/dbraw/zinc/57/13/66/461571366.db2.gz UFYMYKLEHCSJTM-FQEVSTJZSA-N 2 1 337.467 3.257 20 0 EGADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)C1 ZINC000660074558 461571657 /nfs/dbraw/zinc/57/16/57/461571657.db2.gz PIGCHMIEFHIXFT-FCEUIQTBSA-N 2 1 341.543 3.282 20 0 EGADMP Brc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)nc1 ZINC000663345401 461574027 /nfs/dbraw/zinc/57/40/27/461574027.db2.gz KBMQXJMAEANLOT-AWEZNQCLSA-N 2 1 338.293 3.056 20 0 EGADMP Brc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)nc1 ZINC000663345401 461574037 /nfs/dbraw/zinc/57/40/37/461574037.db2.gz KBMQXJMAEANLOT-AWEZNQCLSA-N 2 1 338.293 3.056 20 0 EGADMP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663345946 461574917 /nfs/dbraw/zinc/57/49/17/461574917.db2.gz PJGXQGFRZIEWAG-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1cn2c(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)c(C)nc2s1 ZINC000663346610 461577029 /nfs/dbraw/zinc/57/70/29/461577029.db2.gz ATWQRXVRDJLKPX-INIZCTEOSA-N 2 1 332.517 3.224 20 0 EGADMP Cc1cn2c(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)c(C)nc2s1 ZINC000663346610 461577036 /nfs/dbraw/zinc/57/70/36/461577036.db2.gz ATWQRXVRDJLKPX-INIZCTEOSA-N 2 1 332.517 3.224 20 0 EGADMP CCN(CC)c1ncc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663347220 461577436 /nfs/dbraw/zinc/57/74/36/461577436.db2.gz HIXSMMVXFLMIJE-MRXNPFEDSA-N 2 1 336.549 3.201 20 0 EGADMP CCN(CC)c1ncc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663347220 461577443 /nfs/dbraw/zinc/57/74/43/461577443.db2.gz HIXSMMVXFLMIJE-MRXNPFEDSA-N 2 1 336.549 3.201 20 0 EGADMP CC(C)COc1ccc(C(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000660197702 461629949 /nfs/dbraw/zinc/62/99/49/461629949.db2.gz NTMDXGQNBQTGAD-GOSISDBHSA-N 2 1 336.520 3.247 20 0 EGADMP CC(C)COc1ccc(C(C)(C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000660197702 461629955 /nfs/dbraw/zinc/62/99/55/461629955.db2.gz NTMDXGQNBQTGAD-GOSISDBHSA-N 2 1 336.520 3.247 20 0 EGADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471831 461662319 /nfs/dbraw/zinc/66/23/19/461662319.db2.gz YOVRKMBZQBHLEV-DOTOQJQBSA-N 2 1 347.478 3.254 20 0 EGADMP CCOc1cccc2cc([C@@H](C)NC[C@H](O)C[N@@H+](C)C(C)C)oc21 ZINC000660255880 461669338 /nfs/dbraw/zinc/66/93/38/461669338.db2.gz AWVAZSXHNVPVHK-ZBFHGGJFSA-N 2 1 334.460 3.183 20 0 EGADMP Cc1noc(C)c1[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643454124 461730743 /nfs/dbraw/zinc/73/07/43/461730743.db2.gz WYGYVAPBRVWFAD-XGINMYPSSA-N 2 1 327.428 3.198 20 0 EGADMP Cc1noc(C)c1[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643454123 461731016 /nfs/dbraw/zinc/73/10/16/461731016.db2.gz WYGYVAPBRVWFAD-UVIMBBFXSA-N 2 1 327.428 3.198 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@H]1[NH3+] ZINC000647497793 461736304 /nfs/dbraw/zinc/73/63/04/461736304.db2.gz VYEOYZKZTYYJGK-AZUAARDMSA-N 2 1 325.456 3.220 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnn(Cc4ccccc4Cl)c3)C[C@@H]21 ZINC000647511407 461741188 /nfs/dbraw/zinc/74/11/88/461741188.db2.gz IQDIACCQHDMWTK-HHXXYDBFSA-N 2 1 344.890 3.144 20 0 EGADMP c1ccc([C@H]2C[C@@H](NCC[N@H+]3CC=CCC3)CC[NH+]2C2CC2)cc1 ZINC000639123482 461743511 /nfs/dbraw/zinc/74/35/11/461743511.db2.gz LGYTWCSXAIPDLV-PZJWPPBQSA-N 2 1 325.500 3.206 20 0 EGADMP c1ccc([C@H]2C[C@@H](NCC[N@@H+]3CC=CCC3)CC[NH+]2C2CC2)cc1 ZINC000639123482 461743516 /nfs/dbraw/zinc/74/35/16/461743516.db2.gz LGYTWCSXAIPDLV-PZJWPPBQSA-N 2 1 325.500 3.206 20 0 EGADMP c1ccc([C@H]2C[C@@H](NCC[NH+]3CC=CCC3)CC[N@@H+]2C2CC2)cc1 ZINC000639123482 461743520 /nfs/dbraw/zinc/74/35/20/461743520.db2.gz LGYTWCSXAIPDLV-PZJWPPBQSA-N 2 1 325.500 3.206 20 0 EGADMP c1ccc([C@H]2C[C@@H](NCC[NH+]3CC=CCC3)CC[N@H+]2C2CC2)cc1 ZINC000639123482 461743525 /nfs/dbraw/zinc/74/35/25/461743525.db2.gz LGYTWCSXAIPDLV-PZJWPPBQSA-N 2 1 325.500 3.206 20 0 EGADMP c1sc(-c2ccccn2)nc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542875 461756480 /nfs/dbraw/zinc/75/64/80/461756480.db2.gz DHAVTLBAQNMMPX-HZPDHXFCSA-N 2 1 342.512 3.417 20 0 EGADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c2c(c1)OCCCO2 ZINC000647543480 461757681 /nfs/dbraw/zinc/75/76/81/461757681.db2.gz OFGNCXHOFRRQFX-SJORKVTESA-N 2 1 330.472 3.060 20 0 EGADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543278 461757811 /nfs/dbraw/zinc/75/78/11/461757811.db2.gz KJAUNKCYTUZQAK-OALUTQOASA-N 2 1 338.499 3.392 20 0 EGADMP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543924 461758498 /nfs/dbraw/zinc/75/84/98/461758498.db2.gz ULIJWMLVZHHYDQ-LSDHHAIUSA-N 2 1 330.501 3.350 20 0 EGADMP CC[N@H+](CCC1CCN(c2cc(CO)cc(C)[nH+]2)CC1)CC(C)C ZINC000663769299 461797890 /nfs/dbraw/zinc/79/78/90/461797890.db2.gz IXXUSNNJTBTDDB-UHFFFAOYSA-N 2 1 333.520 3.467 20 0 EGADMP CC[N@@H+](CCC1CCN(c2cc(CO)cc(C)[nH+]2)CC1)CC(C)C ZINC000663769299 461797894 /nfs/dbraw/zinc/79/78/94/461797894.db2.gz IXXUSNNJTBTDDB-UHFFFAOYSA-N 2 1 333.520 3.467 20 0 EGADMP CC[C@@H]1C[NH+](CC2(C[N@H+]3CCCO[C@H](CC)C3)CCC2)CCCO1 ZINC000660469892 461798960 /nfs/dbraw/zinc/79/89/60/461798960.db2.gz RFJHSZUWQNNLQD-RTBURBONSA-N 2 1 338.536 3.159 20 0 EGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666900801 461859513 /nfs/dbraw/zinc/85/95/13/461859513.db2.gz WTYMDZWVHPLTBF-QGZVFWFLSA-N 2 1 332.879 3.063 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666900800 461859575 /nfs/dbraw/zinc/85/95/75/461859575.db2.gz WTYMDZWVHPLTBF-KRWDZBQOSA-N 2 1 332.879 3.063 20 0 EGADMP CCC[N@@H+](CCCC1CC[NH2+]CC1)CC(=O)Nc1ccccc1C ZINC000647871155 461865094 /nfs/dbraw/zinc/86/50/94/461865094.db2.gz RVUNAZLDVPWXCI-UHFFFAOYSA-N 2 1 331.504 3.425 20 0 EGADMP COc1ccc(CC[C@H]2CCCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1OC ZINC000647883482 461869857 /nfs/dbraw/zinc/86/98/57/461869857.db2.gz VYLCLQZYFKHIQQ-QZTJIDSGSA-N 2 1 332.488 3.100 20 0 EGADMP c1cn(-c2csc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c2)cn1 ZINC000656783605 461892447 /nfs/dbraw/zinc/89/24/47/461892447.db2.gz RARIWTMNPHLHBT-MRXNPFEDSA-N 2 1 330.501 3.145 20 0 EGADMP CC[C@@H]1C[N@@H+](CCOc2cc(F)cc(Br)c2)CC[C@@H]1[NH3+] ZINC000647934604 461892862 /nfs/dbraw/zinc/89/28/62/461892862.db2.gz KFSDNIAZJNVVFW-ABAIWWIYSA-N 2 1 345.256 3.026 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1)c1ccccc1 ZINC000647938464 461896380 /nfs/dbraw/zinc/89/63/80/461896380.db2.gz NVOLAVSFTUHYLX-CAMMJAKZSA-N 2 1 331.504 3.092 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1)c1ccccc1 ZINC000647938464 461896384 /nfs/dbraw/zinc/89/63/84/461896384.db2.gz NVOLAVSFTUHYLX-CAMMJAKZSA-N 2 1 331.504 3.092 20 0 EGADMP CC(C)COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650706072 461899738 /nfs/dbraw/zinc/89/97/38/461899738.db2.gz CUWXSIGIAUQVQD-ZVDOUQERSA-N 2 1 346.515 3.440 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3nc4ccc(F)cc4s3)C2)C1 ZINC000650707441 461900840 /nfs/dbraw/zinc/90/08/40/461900840.db2.gz GKWGUFFICJNBLK-BJJXKVORSA-N 2 1 349.475 3.154 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000650707634 461901635 /nfs/dbraw/zinc/90/16/35/461901635.db2.gz JZQOMZQNYANUPK-KBRIMQKVSA-N 2 1 326.843 3.197 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997128 461904810 /nfs/dbraw/zinc/90/48/10/461904810.db2.gz YCAQETBGOONRBB-IBGZPJMESA-N 2 1 329.532 3.409 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997128 461904815 /nfs/dbraw/zinc/90/48/15/461904815.db2.gz YCAQETBGOONRBB-IBGZPJMESA-N 3 1 329.532 3.409 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997128 461904820 /nfs/dbraw/zinc/90/48/20/461904820.db2.gz YCAQETBGOONRBB-IBGZPJMESA-N 3 1 329.532 3.409 20 0 EGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)Cc1ccc3ccccc3c1)C2 ZINC000660660917 461911597 /nfs/dbraw/zinc/91/15/97/461911597.db2.gz BEDAUKHZTSHRAP-YADHBBJMSA-N 2 1 338.495 3.161 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)Cc1ccc3ccccc3c1)C2 ZINC000660660917 461911604 /nfs/dbraw/zinc/91/16/04/461911604.db2.gz BEDAUKHZTSHRAP-YADHBBJMSA-N 2 1 338.495 3.161 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)Cc1ccc3ccccc3c1)C2 ZINC000660660917 461911608 /nfs/dbraw/zinc/91/16/08/461911608.db2.gz BEDAUKHZTSHRAP-YADHBBJMSA-N 2 1 338.495 3.161 20 0 EGADMP Fc1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647975668 461917032 /nfs/dbraw/zinc/91/70/32/461917032.db2.gz DIZWJXYAXZLHIF-JKSUJKDBSA-N 2 1 344.434 3.087 20 0 EGADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977076 461918437 /nfs/dbraw/zinc/91/84/37/461918437.db2.gz XRERDIUIJVBGKZ-MOPGFXCFSA-N 2 1 344.499 3.500 20 0 EGADMP Cc1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647976190 461918873 /nfs/dbraw/zinc/91/88/73/461918873.db2.gz LHMSUHLERYDJHU-QZTJIDSGSA-N 2 1 340.471 3.257 20 0 EGADMP O=C(CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1)Nc1ccccc1 ZINC000660674258 461919906 /nfs/dbraw/zinc/91/99/06/461919906.db2.gz OOVWJRVFVGZUAB-UHFFFAOYSA-N 2 1 337.467 3.269 20 0 EGADMP C[C@H](NCc1ccc(C[NH3+])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000650754214 461935738 /nfs/dbraw/zinc/93/57/38/461935738.db2.gz DDPWVSCZADZUJU-OXJNMPFZSA-N 2 1 341.474 3.285 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000650754214 461935747 /nfs/dbraw/zinc/93/57/47/461935747.db2.gz DDPWVSCZADZUJU-OXJNMPFZSA-N 3 1 341.474 3.285 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000650754214 461935755 /nfs/dbraw/zinc/93/57/55/461935755.db2.gz DDPWVSCZADZUJU-OXJNMPFZSA-N 3 1 341.474 3.285 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@H+](C)CC[C@H]2CCCC[NH+]2C)o1 ZINC000648010768 461940058 /nfs/dbraw/zinc/94/00/58/461940058.db2.gz ROFOKAOCQOLEFQ-QGZVFWFLSA-N 2 1 330.476 3.295 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)o1 ZINC000648010768 461940066 /nfs/dbraw/zinc/94/00/66/461940066.db2.gz ROFOKAOCQOLEFQ-QGZVFWFLSA-N 2 1 330.476 3.295 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)o1 ZINC000648010768 461940071 /nfs/dbraw/zinc/94/00/71/461940071.db2.gz ROFOKAOCQOLEFQ-QGZVFWFLSA-N 2 1 330.476 3.295 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[NH+](C)CC[C@H]2CCCC[N@H+]2C)o1 ZINC000648010768 461940077 /nfs/dbraw/zinc/94/00/77/461940077.db2.gz ROFOKAOCQOLEFQ-QGZVFWFLSA-N 2 1 330.476 3.295 20 0 EGADMP CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000648047668 461957159 /nfs/dbraw/zinc/95/71/59/461957159.db2.gz MXFDFOUMLYEIIJ-HXUWFJFHSA-N 2 1 332.488 3.161 20 0 EGADMP CC(C)COc1cccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000648072135 461969632 /nfs/dbraw/zinc/96/96/32/461969632.db2.gz OFHWLTDNVVHAHE-UHFFFAOYSA-N 2 1 332.488 3.018 20 0 EGADMP CC(C)COc1cccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000648072135 461969634 /nfs/dbraw/zinc/96/96/34/461969634.db2.gz OFHWLTDNVVHAHE-UHFFFAOYSA-N 2 1 332.488 3.018 20 0 EGADMP C[C@@H](CC[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000644534663 461974489 /nfs/dbraw/zinc/97/44/89/461974489.db2.gz ULJRWCRDZRDFEH-RXVVDRJESA-N 2 1 326.484 3.263 20 0 EGADMP C[C@@H](CC[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000644534663 461974492 /nfs/dbraw/zinc/97/44/92/461974492.db2.gz ULJRWCRDZRDFEH-RXVVDRJESA-N 2 1 326.484 3.263 20 0 EGADMP CC(C)([NH3+])CCC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000648165342 461994246 /nfs/dbraw/zinc/99/42/46/461994246.db2.gz JTTIJMACYHNUJG-UHFFFAOYSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)Sc1ccccc1 ZINC000644579146 461995219 /nfs/dbraw/zinc/99/52/19/461995219.db2.gz OTCLPKJUPDPFLN-HKUYNNGSSA-N 2 1 344.524 3.250 20 0 EGADMP C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)Sc1ccccc1 ZINC000644579146 461995221 /nfs/dbraw/zinc/99/52/21/461995221.db2.gz OTCLPKJUPDPFLN-HKUYNNGSSA-N 2 1 344.524 3.250 20 0 EGADMP CCC(CC)[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000644616674 462010727 /nfs/dbraw/zinc/01/07/27/462010727.db2.gz RVJQDMWSOZTXQP-NJYVYQBISA-N 2 1 348.531 3.053 20 0 EGADMP CCC(CC)[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000644616674 462010730 /nfs/dbraw/zinc/01/07/30/462010730.db2.gz RVJQDMWSOZTXQP-NJYVYQBISA-N 2 1 348.531 3.053 20 0 EGADMP FC(F)Oc1cccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639682643 462055139 /nfs/dbraw/zinc/05/51/39/462055139.db2.gz GQWQYAPYKVARHL-UHFFFAOYSA-N 2 1 333.382 3.395 20 0 EGADMP c1c(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)noc1-c1ccccc1 ZINC000639682622 462055254 /nfs/dbraw/zinc/05/52/54/462055254.db2.gz ZWBCWXLHOQIUHB-UHFFFAOYSA-N 2 1 334.423 3.449 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657348030 462062242 /nfs/dbraw/zinc/06/22/42/462062242.db2.gz ZSTRAGVAJFBHBQ-LLVKDONJSA-N 2 1 327.350 3.358 20 0 EGADMP CC(C)n1ccnc1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000657354614 462067296 /nfs/dbraw/zinc/06/72/96/462067296.db2.gz SNQGYUJZMARQHL-UHFFFAOYSA-N 2 1 330.476 3.084 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(Br)s3)C2)CC1 ZINC000639758004 462093935 /nfs/dbraw/zinc/09/39/35/462093935.db2.gz OGIIIDNQVVETJU-UHFFFAOYSA-N 2 1 329.307 3.428 20 0 EGADMP CC[C@@H](C)[N@@H+](CC)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000661102793 462104734 /nfs/dbraw/zinc/10/47/34/462104734.db2.gz AINHWKGAVGFAMY-GOSISDBHSA-N 2 1 345.531 3.196 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657412760 462106812 /nfs/dbraw/zinc/10/68/12/462106812.db2.gz DSCWPWIKAQVKAR-PZJWPPBQSA-N 2 1 346.515 3.312 20 0 EGADMP CCc1c(C)[nH+]c2ccccc2c1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664597885 462119346 /nfs/dbraw/zinc/11/93/46/462119346.db2.gz CVJFNFQDZAYEGC-KRWDZBQOSA-N 2 1 339.483 3.141 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2c(C)cccc2C)CC1 ZINC000661134887 462119982 /nfs/dbraw/zinc/11/99/82/462119982.db2.gz WXNFZMYIDAKRQS-LJQANCHMSA-N 2 1 343.515 3.041 20 0 EGADMP Cc1c(Br)cncc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000667543558 462135222 /nfs/dbraw/zinc/13/52/22/462135222.db2.gz CYYGQRPSDYWIFX-UHFFFAOYSA-N 2 1 340.309 3.316 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000639903803 462161731 /nfs/dbraw/zinc/16/17/31/462161731.db2.gz RCUSLSOXIIXSSK-NRFANRHFSA-N 2 1 335.451 3.427 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000639903803 462161735 /nfs/dbraw/zinc/16/17/35/462161735.db2.gz RCUSLSOXIIXSSK-NRFANRHFSA-N 2 1 335.451 3.427 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000657563441 462182119 /nfs/dbraw/zinc/18/21/19/462182119.db2.gz ODQUCMIKTNAKDI-HXUWFJFHSA-N 2 1 347.522 3.295 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)CC2)CC1 ZINC000654375831 462194261 /nfs/dbraw/zinc/19/42/61/462194261.db2.gz IQVBMLGYMHUYKH-ABSDTBQOSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667677391 462208946 /nfs/dbraw/zinc/20/89/46/462208946.db2.gz QOSUSMQRJJDJFW-QUCCMNQESA-N 2 1 332.488 3.018 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667677391 462208953 /nfs/dbraw/zinc/20/89/53/462208953.db2.gz QOSUSMQRJJDJFW-QUCCMNQESA-N 2 1 332.488 3.018 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667677391 462208959 /nfs/dbraw/zinc/20/89/59/462208959.db2.gz QOSUSMQRJJDJFW-QUCCMNQESA-N 2 1 332.488 3.018 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667677391 462208964 /nfs/dbraw/zinc/20/89/64/462208964.db2.gz QOSUSMQRJJDJFW-QUCCMNQESA-N 2 1 332.488 3.018 20 0 EGADMP CCOCCC[N@H+]1CC[C@H](Nc2ncnc3[nH]c(C)c(C)c32)[C@H](C)C1 ZINC000645174315 462217253 /nfs/dbraw/zinc/21/72/53/462217253.db2.gz STEUSXSOBWIIAO-CJNGLKHVSA-N 2 1 345.491 3.124 20 0 EGADMP Cc1[nH+]cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1C ZINC000667705748 462224757 /nfs/dbraw/zinc/22/47/57/462224757.db2.gz JXBARSJPKVLLEQ-PZJWPPBQSA-N 2 1 338.499 3.215 20 0 EGADMP Cc1[nH+]cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1C ZINC000667705748 462224763 /nfs/dbraw/zinc/22/47/63/462224763.db2.gz JXBARSJPKVLLEQ-PZJWPPBQSA-N 2 1 338.499 3.215 20 0 EGADMP Cc1cccc2[nH]c(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cc21 ZINC000667707184 462224972 /nfs/dbraw/zinc/22/49/72/462224972.db2.gz SEYUAWLQDXMXGJ-NSISKUIASA-N 2 1 327.472 3.160 20 0 EGADMP Cc1cccc2[nH]c(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cc21 ZINC000667707184 462224978 /nfs/dbraw/zinc/22/49/78/462224978.db2.gz SEYUAWLQDXMXGJ-NSISKUIASA-N 2 1 327.472 3.160 20 0 EGADMP CCC(CC)(CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000648784303 462276376 /nfs/dbraw/zinc/27/63/76/462276376.db2.gz LITQAYKPNRWXNP-YQVWRLOYSA-N 2 1 345.531 3.352 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCn3nccc32)cc1F ZINC000657852583 462296183 /nfs/dbraw/zinc/29/61/83/462296183.db2.gz VQKKJOMLXCGKLG-INIZCTEOSA-N 2 1 325.391 3.141 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc3c(c2)CCCC3)CC1 ZINC000657849377 462296916 /nfs/dbraw/zinc/29/69/16/462296916.db2.gz JAKSJOSMPSPOCK-QGZVFWFLSA-N 2 1 330.516 3.197 20 0 EGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000651682438 462302275 /nfs/dbraw/zinc/30/22/75/462302275.db2.gz ZLZFFHBVWAMAQQ-QGZVFWFLSA-N 2 1 326.488 3.311 20 0 EGADMP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000657891507 462310276 /nfs/dbraw/zinc/31/02/76/462310276.db2.gz ZWFBMXVUQPPHKC-JKBKZWBZSA-N 2 1 328.500 3.038 20 0 EGADMP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000657891507 462310279 /nfs/dbraw/zinc/31/02/79/462310279.db2.gz ZWFBMXVUQPPHKC-JKBKZWBZSA-N 2 1 328.500 3.038 20 0 EGADMP [NH3+]C1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCCC1 ZINC000665246525 462367957 /nfs/dbraw/zinc/36/79/57/462367957.db2.gz HQQVVYPJIXDGGM-XUVXKRRUSA-N 2 1 327.516 3.291 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cc1Br ZINC000665249449 462368986 /nfs/dbraw/zinc/36/89/86/462368986.db2.gz QQACOZVWEUNGCV-LLVKDONJSA-N 2 1 327.266 3.380 20 0 EGADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cc1Br ZINC000665249450 462369001 /nfs/dbraw/zinc/36/90/01/462369001.db2.gz QQACOZVWEUNGCV-NSHDSACASA-N 2 1 327.266 3.380 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000665299008 462390063 /nfs/dbraw/zinc/39/00/63/462390063.db2.gz DUVBUMFAXGRTLF-KXBFYZLASA-N 2 1 347.466 3.373 20 0 EGADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652173680 462461102 /nfs/dbraw/zinc/46/11/02/462461102.db2.gz UNRBUDVAFGRJRZ-INIZCTEOSA-N 2 1 334.460 3.015 20 0 EGADMP CCc1ccc2[nH+]ccc(N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)c2c1 ZINC000649278351 462466004 /nfs/dbraw/zinc/46/60/04/462466004.db2.gz NLKSRIQBDDMGOC-SFHVURJKSA-N 2 1 338.499 3.013 20 0 EGADMP CC(C)[NH+]1CCC([NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)CC1 ZINC000658349455 462485614 /nfs/dbraw/zinc/48/56/14/462485614.db2.gz TXQMFXKJRKOFLD-NRFANRHFSA-N 2 1 346.515 3.345 20 0 EGADMP Cc1cc(C)n(CC[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000649416794 462503520 /nfs/dbraw/zinc/50/35/20/462503520.db2.gz LYTWPGCMDQMACG-NHCUHLMSSA-N 2 1 340.515 3.172 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)C(C)C ZINC000662108927 462527297 /nfs/dbraw/zinc/52/72/97/462527297.db2.gz SLGIFKNLVVTYHY-HXUWFJFHSA-N 2 1 345.531 3.449 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000178702008 533757781 /nfs/dbraw/zinc/75/77/81/533757781.db2.gz VUAIDQLFIZRNBF-HUUCEWRRSA-N 2 1 331.460 3.066 20 0 EGADMP C[C@H](CC1CC1)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163964458 533767832 /nfs/dbraw/zinc/76/78/32/533767832.db2.gz HRCUXHONEMJLHW-QGZVFWFLSA-N 2 1 346.515 3.454 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000178424875 534446834 /nfs/dbraw/zinc/44/68/34/534446834.db2.gz PXNMDYSBGQCMFU-WWGRRREGSA-N 2 1 325.294 3.310 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000164634523 534768204 /nfs/dbraw/zinc/76/82/04/534768204.db2.gz VVPFTIWZRFLQDV-OAHLLOKOSA-N 2 1 329.444 3.484 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1nccnc1C ZINC000187783067 528155129 /nfs/dbraw/zinc/15/51/29/528155129.db2.gz JOXRTWRNUHFOCI-QGZVFWFLSA-N 2 1 342.487 3.356 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000158818416 528203513 /nfs/dbraw/zinc/20/35/13/528203513.db2.gz MVEYCINWODFZSB-HNNXBMFYSA-N 2 1 338.517 3.005 20 0 EGADMP CC(C)C[C@H]([NH3+])C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000165344166 528551939 /nfs/dbraw/zinc/55/19/39/528551939.db2.gz AWMCAWXRWPWWHB-KRWDZBQOSA-N 2 1 328.460 3.367 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccccc2F)[C@H](C)C1 ZINC000178468480 528664477 /nfs/dbraw/zinc/66/44/77/528664477.db2.gz SVCTUTLUUFGRPF-FUHIMQAGSA-N 2 1 336.495 3.483 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(OC)c2)[C@H](C)C1 ZINC000177986229 528668177 /nfs/dbraw/zinc/66/81/77/528668177.db2.gz LVYGDHHXJSYDIX-MJGOQNOKSA-N 2 1 334.504 3.230 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)c1ccc(F)cc1F ZINC000191508458 528861647 /nfs/dbraw/zinc/86/16/47/528861647.db2.gz RDRCNFFCOWMKJR-KRWDZBQOSA-N 2 1 337.414 3.169 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)c1ccc(F)cc1F ZINC000191508458 528861652 /nfs/dbraw/zinc/86/16/52/528861652.db2.gz RDRCNFFCOWMKJR-KRWDZBQOSA-N 2 1 337.414 3.169 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000159311670 528989284 /nfs/dbraw/zinc/98/92/84/528989284.db2.gz KHYBDANQYAZGRK-MRXNPFEDSA-N 2 1 342.487 3.075 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1)C1CC1 ZINC000338054756 535782948 /nfs/dbraw/zinc/78/29/48/535782948.db2.gz MPDUBLATGTXCLC-QGZVFWFLSA-N 2 1 343.515 3.133 20 0 EGADMP CCC[N@H+]1CC[C@@H](CN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090171162 546654221 /nfs/dbraw/zinc/65/42/21/546654221.db2.gz NXVLDNXUUXXUSU-VQTJNVASSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@@H](CN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090171162 546654225 /nfs/dbraw/zinc/65/42/25/546654225.db2.gz NXVLDNXUUXXUSU-VQTJNVASSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@@H](CN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090171162 546654230 /nfs/dbraw/zinc/65/42/30/546654230.db2.gz NXVLDNXUUXXUSU-VQTJNVASSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000090171162 546654236 /nfs/dbraw/zinc/65/42/36/546654236.db2.gz NXVLDNXUUXXUSU-VQTJNVASSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000090171162 546654238 /nfs/dbraw/zinc/65/42/38/546654238.db2.gz NXVLDNXUUXXUSU-VQTJNVASSA-N 2 1 329.532 3.361 20 0 EGADMP O=C(CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Nc1ccc(Cl)cc1 ZINC000166355930 546987833 /nfs/dbraw/zinc/98/78/33/546987833.db2.gz INVPGEHUJZZBHI-DLBZAZTESA-N 2 1 335.879 3.275 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3c[nH]nc3C)CC2)cs1 ZINC000180520702 547058052 /nfs/dbraw/zinc/05/80/52/547058052.db2.gz BXLUOEWJMDGZFZ-ZDUSSCGKSA-N 2 1 347.532 3.300 20 0 EGADMP CCCn1nccc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310207589 547461440 /nfs/dbraw/zinc/46/14/40/547461440.db2.gz DGHCQFSXVZMOMH-PKOBYXMFSA-N 2 1 326.488 3.293 20 0 EGADMP CCCn1nccc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310207589 547461445 /nfs/dbraw/zinc/46/14/45/547461445.db2.gz DGHCQFSXVZMOMH-PKOBYXMFSA-N 2 1 326.488 3.293 20 0 EGADMP CC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000339074325 547568944 /nfs/dbraw/zinc/56/89/44/547568944.db2.gz KCPHHZIOAYEMSC-NJYVYQBISA-N 2 1 327.516 3.040 20 0 EGADMP CC[C@H](CN[C@@H]1CC[NH+]2CCC[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000339074325 547568948 /nfs/dbraw/zinc/56/89/48/547568948.db2.gz KCPHHZIOAYEMSC-NJYVYQBISA-N 2 1 327.516 3.040 20 0 EGADMP CC[C@H](CN[C@@H]1CC[NH+]2CCC[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000339074325 547568951 /nfs/dbraw/zinc/56/89/51/547568951.db2.gz KCPHHZIOAYEMSC-NJYVYQBISA-N 2 1 327.516 3.040 20 0 EGADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000339074325 547568954 /nfs/dbraw/zinc/56/89/54/547568954.db2.gz KCPHHZIOAYEMSC-NJYVYQBISA-N 2 1 327.516 3.040 20 0 EGADMP CC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000339074325 547568958 /nfs/dbraw/zinc/56/89/58/547568958.db2.gz KCPHHZIOAYEMSC-NJYVYQBISA-N 2 1 327.516 3.040 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414292450 547854923 /nfs/dbraw/zinc/85/49/23/547854923.db2.gz BCZDKJDSQZBJAM-SPUZQDLCSA-N 2 1 338.442 3.035 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000414304172 547855647 /nfs/dbraw/zinc/85/56/47/547855647.db2.gz XNKUOPVPXBKLLO-HLAWJBBLSA-N 2 1 342.458 3.327 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000414304172 547855650 /nfs/dbraw/zinc/85/56/50/547855650.db2.gz XNKUOPVPXBKLLO-HLAWJBBLSA-N 2 1 342.458 3.327 20 0 EGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000671309259 548276237 /nfs/dbraw/zinc/27/62/37/548276237.db2.gz QTHRGMNBGKYRRC-SFTDATJTSA-N 2 1 344.499 3.305 20 0 EGADMP C[C@H](c1ccncc1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000674306342 548722859 /nfs/dbraw/zinc/72/28/59/548722859.db2.gz IRTJGNWNOCECTM-GOSISDBHSA-N 2 1 344.547 3.271 20 0 EGADMP C[C@H](c1ccncc1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000674306342 548722861 /nfs/dbraw/zinc/72/28/61/548722861.db2.gz IRTJGNWNOCECTM-GOSISDBHSA-N 3 1 344.547 3.271 20 0 EGADMP C[C@H](c1ccncc1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000674306342 548722865 /nfs/dbraw/zinc/72/28/65/548722865.db2.gz IRTJGNWNOCECTM-GOSISDBHSA-N 3 1 344.547 3.271 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCCC[NH+]2C)c1 ZINC000675481056 548927582 /nfs/dbraw/zinc/92/75/82/548927582.db2.gz MXIPTUJNFZRETA-HXUWFJFHSA-N 2 1 345.531 3.409 20 0 EGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000675481056 548927583 /nfs/dbraw/zinc/92/75/83/548927583.db2.gz MXIPTUJNFZRETA-HXUWFJFHSA-N 2 1 345.531 3.409 20 0 EGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC000675481056 548927584 /nfs/dbraw/zinc/92/75/84/548927584.db2.gz MXIPTUJNFZRETA-HXUWFJFHSA-N 2 1 345.531 3.409 20 0 EGADMP CC[C@@H](Cc1cccs1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000675898506 549000657 /nfs/dbraw/zinc/00/06/57/549000657.db2.gz SBOTZUFMADXQMO-ICSRJNTNSA-N 2 1 344.524 3.296 20 0 EGADMP CC[C@@H](Cc1cccs1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000675898506 549000658 /nfs/dbraw/zinc/00/06/58/549000658.db2.gz SBOTZUFMADXQMO-ICSRJNTNSA-N 2 1 344.524 3.296 20 0 EGADMP C[C@H]1SCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1C ZINC000678271581 549453679 /nfs/dbraw/zinc/45/36/79/549453679.db2.gz YPVJGEVOORFXNT-DLBZAZTESA-N 2 1 334.529 3.487 20 0 EGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000678284293 549459201 /nfs/dbraw/zinc/45/92/01/549459201.db2.gz ABWQLEFLRRVGME-UXHICEINSA-N 2 1 344.499 3.020 20 0 EGADMP CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000678340791 549473379 /nfs/dbraw/zinc/47/33/79/549473379.db2.gz QWWCLVWJKGMSAN-UXHICEINSA-N 2 1 346.515 3.407 20 0 EGADMP CCCCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1(C)C ZINC000678926393 549596015 /nfs/dbraw/zinc/59/60/15/549596015.db2.gz BBBDQHINHFOLGB-IPMKNSEASA-N 2 1 338.536 3.203 20 0 EGADMP CCCCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1(C)C ZINC000678926389 549596226 /nfs/dbraw/zinc/59/62/26/549596226.db2.gz BBBDQHINHFOLGB-CEXWTWQISA-N 2 1 338.536 3.203 20 0 EGADMP C[C@H]([NH2+]Cc1cnc2ccccn12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679288023 549680264 /nfs/dbraw/zinc/68/02/64/549680264.db2.gz BOVMEVYUPHQKCF-HKUYNNGSSA-N 2 1 334.467 3.335 20 0 EGADMP C[NH+](C)CCC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679328182 549688879 /nfs/dbraw/zinc/68/88/79/549688879.db2.gz CFPZGDDLWCGGKD-HZPDHXFCSA-N 2 1 341.293 3.211 20 0 EGADMP COC[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000680352260 549854331 /nfs/dbraw/zinc/85/43/31/549854331.db2.gz MUCLSAGUBLXUOX-NCYKPQTJSA-N 2 1 328.500 3.302 20 0 EGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C2CCC(C3CCCCC3)CC2)C1 ZINC000683471701 550232461 /nfs/dbraw/zinc/23/24/61/550232461.db2.gz CRCKUCSHNGVNFL-GPJFCIFZSA-N 2 1 349.563 3.303 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000683773365 550259928 /nfs/dbraw/zinc/25/99/28/550259928.db2.gz YXTPMMLTPYJTFY-UHFFFAOYSA-N 2 1 327.472 3.214 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc2ccccc2[nH]1 ZINC000685456045 550418411 /nfs/dbraw/zinc/41/84/11/550418411.db2.gz NTRSPBUVHYTIQQ-IBGZPJMESA-N 2 1 328.504 3.016 20 0 EGADMP C/C(=C/c1ccccc1)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457976 550419284 /nfs/dbraw/zinc/41/92/84/550419284.db2.gz VRGAQWCTNRZOCC-TXOBRMIJSA-N 2 1 327.516 3.190 20 0 EGADMP CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000685477458 550422193 /nfs/dbraw/zinc/42/21/93/550422193.db2.gz HTACUZQXNKBVRI-OAQYLSRUSA-N 2 1 346.515 3.146 20 0 EGADMP CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(Oc3ccncc3)c2)[C@@H](C)C1 ZINC000583588910 574669475 /nfs/dbraw/zinc/66/94/75/574669475.db2.gz USYHILFMMPBKGH-IYBDPMFKSA-N 2 1 339.439 3.429 20 0 EGADMP CCN1C[C@@H](C)N(C(=O)c2cccc(Oc3ccncc3)c2)[C@@H](C)C1 ZINC000583588910 574669476 /nfs/dbraw/zinc/66/94/76/574669476.db2.gz USYHILFMMPBKGH-IYBDPMFKSA-N 2 1 339.439 3.429 20 0 EGADMP CC[C@@H](C)c1ccc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000727932085 574704839 /nfs/dbraw/zinc/70/48/39/574704839.db2.gz SGFJPWVPYWCBHQ-MRXNPFEDSA-N 2 1 331.504 3.412 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC000729333562 574843374 /nfs/dbraw/zinc/84/33/74/574843374.db2.gz BSCMOBKEGGVQJQ-UYAOXDASSA-N 2 1 343.515 3.204 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1 ZINC000733165833 575312099 /nfs/dbraw/zinc/31/20/99/575312099.db2.gz MXHAGCPCTUKHIR-LJQANCHMSA-N 2 1 333.520 3.235 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000383323675 576253833 /nfs/dbraw/zinc/25/38/33/576253833.db2.gz BSFDKMLAHFKYHB-ICSRJNTNSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000383323675 576253835 /nfs/dbraw/zinc/25/38/35/576253835.db2.gz BSFDKMLAHFKYHB-ICSRJNTNSA-N 2 1 329.532 3.219 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000739801092 576506640 /nfs/dbraw/zinc/50/66/40/576506640.db2.gz TYYCETGFFLRVED-UHFFFAOYSA-N 2 1 340.471 3.101 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3cc(C)ccc23)C[C@@H]1C ZINC000740883037 576633177 /nfs/dbraw/zinc/63/31/77/576633177.db2.gz MCHJOFJDCIXYOD-RDJZCZTQSA-N 2 1 328.456 3.406 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3cc(C)ccc23)C[C@@H]1C ZINC000740883037 576633179 /nfs/dbraw/zinc/63/31/79/576633179.db2.gz MCHJOFJDCIXYOD-RDJZCZTQSA-N 2 1 328.456 3.406 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(=O)oc3cc(C)ccc23)C[C@@H]1C ZINC000740883037 576633182 /nfs/dbraw/zinc/63/31/82/576633182.db2.gz MCHJOFJDCIXYOD-RDJZCZTQSA-N 2 1 328.456 3.406 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(=O)oc3cc(C)ccc23)C[C@@H]1C ZINC000740883037 576633183 /nfs/dbraw/zinc/63/31/83/576633183.db2.gz MCHJOFJDCIXYOD-RDJZCZTQSA-N 2 1 328.456 3.406 20 0 EGADMP C[C@@H]1C[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC[NH2+]1 ZINC000691736566 1298137536 /nfs/dbraw/zinc/13/75/36/1298137536.db2.gz WWMSBSZDJSKPLW-UYAOXDASSA-N 3 1 327.516 3.115 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000067222861 1292154184 /nfs/dbraw/zinc/15/41/84/1292154184.db2.gz BNOJUGKBQJBRAB-KRWDZBQOSA-N 2 1 344.478 3.450 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000067222861 1292154188 /nfs/dbraw/zinc/15/41/88/1292154188.db2.gz BNOJUGKBQJBRAB-KRWDZBQOSA-N 2 1 344.478 3.450 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(Br)c2)C1 ZINC000067223158 1292154454 /nfs/dbraw/zinc/15/44/54/1292154454.db2.gz ORRWCMWLLSFHHG-AWEZNQCLSA-N 2 1 341.293 3.279 20 0 EGADMP COc1cccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1OC(F)F ZINC000069751838 1292248992 /nfs/dbraw/zinc/24/89/92/1292248992.db2.gz JNBNYERYXRKMPT-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(Cl)cc3)cc2)CC1 ZINC000069785262 1292252187 /nfs/dbraw/zinc/25/21/87/1292252187.db2.gz KZVKAMMXQRSZIQ-UHFFFAOYSA-N 2 1 343.902 3.377 20 0 EGADMP C[C@H]1C[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000830136067 1292671640 /nfs/dbraw/zinc/67/16/40/1292671640.db2.gz PEVFJXIDGONNMR-IHPCNDPISA-N 2 1 343.515 3.030 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cn2cnc3cc(C)c(C)cc32)C1 ZINC000083114175 1292679676 /nfs/dbraw/zinc/67/96/76/1292679676.db2.gz USSCKKIITNWSMS-SFHVURJKSA-N 2 1 344.503 3.043 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc(Cl)nc3ccccc13)CCO2 ZINC000830652505 1292747736 /nfs/dbraw/zinc/74/77/36/1292747736.db2.gz OSKVEZLVZRAEFJ-UHFFFAOYSA-N 2 1 345.874 3.185 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc(Cl)nc3ccccc13)CCO2 ZINC000830652505 1292747740 /nfs/dbraw/zinc/74/77/40/1292747740.db2.gz OSKVEZLVZRAEFJ-UHFFFAOYSA-N 2 1 345.874 3.185 20 0 EGADMP [NH3+]CCCCCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000830999617 1292799336 /nfs/dbraw/zinc/79/93/36/1292799336.db2.gz PVHCUMNFBSVWKY-OAQYLSRUSA-N 2 1 343.515 3.020 20 0 EGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000105457397 1293039621 /nfs/dbraw/zinc/03/96/21/1293039621.db2.gz IJWLAGLXKKQIQK-GOSISDBHSA-N 2 1 326.488 3.391 20 0 EGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000105457397 1293039632 /nfs/dbraw/zinc/03/96/32/1293039632.db2.gz IJWLAGLXKKQIQK-GOSISDBHSA-N 2 1 326.488 3.391 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)OC[C@H]2CCC[N@H+]2Cc2ccco2)c1 ZINC000835246127 1293242585 /nfs/dbraw/zinc/24/25/85/1293242585.db2.gz HUAAFRIQJQFJQA-GOSISDBHSA-N 2 1 342.439 3.163 20 0 EGADMP CC(C)(C)OC(=O)NC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000128098735 1293582598 /nfs/dbraw/zinc/58/25/98/1293582598.db2.gz BIYKDTKSRAATLT-SJJHQCBESA-N 2 1 337.508 3.039 20 0 EGADMP C(CCC[N@H+]1CCOC2(CCC2)C1)CC[NH+]1CCOC2(CCC2)C1 ZINC000154334474 1294051393 /nfs/dbraw/zinc/05/13/93/1294051393.db2.gz FPUULJZIIMERSH-UHFFFAOYSA-N 2 1 336.520 3.057 20 0 EGADMP C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)CC1CC[NH+](C)CC1 ZINC000154704264 1294067114 /nfs/dbraw/zinc/06/71/14/1294067114.db2.gz LQOSMRJZVGOMHD-UHFFFAOYSA-N 2 1 344.286 3.206 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC000158734840 1294213864 /nfs/dbraw/zinc/21/38/64/1294213864.db2.gz ACVBKGSYVVPXAK-KRWDZBQOSA-N 2 1 343.515 3.019 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1(CC)CC ZINC000181851295 1294996581 /nfs/dbraw/zinc/99/65/81/1294996581.db2.gz IEUQDYKTELVHBC-RTBURBONSA-N 2 1 340.552 3.449 20 0 EGADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1(CC)CC ZINC000181851253 1294997430 /nfs/dbraw/zinc/99/74/30/1294997430.db2.gz IEUQDYKTELVHBC-MOPGFXCFSA-N 2 1 340.552 3.449 20 0 EGADMP C[C@@H]([NH2+]CC(=O)NC1CCCCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185731227 1295281476 /nfs/dbraw/zinc/28/14/76/1295281476.db2.gz IDWOOYVFGSBLBI-QZTJIDSGSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@@H]([NH2+]CC(=O)NC1CCCCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185731227 1295281485 /nfs/dbraw/zinc/28/14/85/1295281485.db2.gz IDWOOYVFGSBLBI-QZTJIDSGSA-N 2 1 349.563 3.458 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)c1ccc(F)c(F)c1 ZINC000191505034 1295686986 /nfs/dbraw/zinc/68/69/86/1295686986.db2.gz OLQVZPODCKXFOS-KRWDZBQOSA-N 2 1 337.414 3.169 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)c1ccc(F)c(F)c1 ZINC000191505034 1295687000 /nfs/dbraw/zinc/68/70/00/1295687000.db2.gz OLQVZPODCKXFOS-KRWDZBQOSA-N 2 1 337.414 3.169 20 0 EGADMP c1ccc(COc2cccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)c2)nc1 ZINC000236728147 1296199515 /nfs/dbraw/zinc/19/95/15/1296199515.db2.gz PLFDBCIZYGPNIV-GOSISDBHSA-N 2 1 337.467 3.235 20 0 EGADMP COCC[NH+]1CCC([NH2+]Cc2c(OC)ccc3ccccc32)CC1 ZINC000237122099 1296221998 /nfs/dbraw/zinc/22/19/98/1296221998.db2.gz NMNHFDXXCRPVDA-UHFFFAOYSA-N 2 1 328.456 3.049 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)[C@@H](C)C1 ZINC000247269680 1296387132 /nfs/dbraw/zinc/38/71/32/1296387132.db2.gz YALDVUMTFPPRAJ-YJLNNSPDSA-N 2 1 349.906 3.495 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)[C@@H](C)C1 ZINC000247269680 1296387148 /nfs/dbraw/zinc/38/71/48/1296387148.db2.gz YALDVUMTFPPRAJ-YJLNNSPDSA-N 2 1 349.906 3.495 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)[C@@H](C)C1 ZINC000247269680 1296387164 /nfs/dbraw/zinc/38/71/64/1296387164.db2.gz YALDVUMTFPPRAJ-YJLNNSPDSA-N 2 1 349.906 3.495 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)[C@@H](C)C1 ZINC000247269680 1296387178 /nfs/dbraw/zinc/38/71/78/1296387178.db2.gz YALDVUMTFPPRAJ-YJLNNSPDSA-N 2 1 349.906 3.495 20 0 EGADMP c1ccc(C[NH+]2CCC(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000261538136 1296593222 /nfs/dbraw/zinc/59/32/22/1296593222.db2.gz FLMVYEGTOHRYBY-PWRODBHTSA-N 2 1 327.516 3.161 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261674198 1296597631 /nfs/dbraw/zinc/59/76/31/1296597631.db2.gz JJAWKTJSRSMCOB-MRUHUIDDSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261674198 1296597644 /nfs/dbraw/zinc/59/76/44/1296597644.db2.gz JJAWKTJSRSMCOB-MRUHUIDDSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCN(Cc2ccccc2)c2ccccn2)CC[N@H+]1C ZINC000872123641 1296751825 /nfs/dbraw/zinc/75/18/25/1296751825.db2.gz YYZMIZGWGVUTOU-UYAOXDASSA-N 2 1 338.499 3.161 20 0 EGADMP CC1(C)CCc2onc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2C1 ZINC000872143829 1296764843 /nfs/dbraw/zinc/76/48/43/1296764843.db2.gz XWDDZLAGFYRDEC-HOTGVXAUSA-N 2 1 331.504 3.401 20 0 EGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000872145232 1296767874 /nfs/dbraw/zinc/76/78/74/1296767874.db2.gz QAPIPQCXFNSDNT-HUUCEWRRSA-N 2 1 332.366 3.017 20 0 EGADMP C[N@@H+](CCCCCC[NH3+])Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000872155302 1296772626 /nfs/dbraw/zinc/77/26/26/1296772626.db2.gz GZVMDRYLMXWAHQ-UHFFFAOYSA-N 2 1 342.365 3.105 20 0 EGADMP C[N@@H+](CCCCCC[NH3+])CC(=O)Nc1ccc(Cl)cc1Cl ZINC000872154968 1296774236 /nfs/dbraw/zinc/77/42/36/1296774236.db2.gz HSMYVYYXJHNANK-UHFFFAOYSA-N 2 1 332.275 3.383 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000305147408 1296986310 /nfs/dbraw/zinc/98/63/10/1296986310.db2.gz KJLJBNUFSWBMCE-IKGGRYGDSA-N 2 1 341.540 3.484 20 0 EGADMP C[N@H+]1CCC[C@H]2CN(Cn3ccc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000872592293 1297018586 /nfs/dbraw/zinc/01/85/86/1297018586.db2.gz XLFOMDKAHWJLRX-QFBILLFUSA-N 2 1 328.435 3.063 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(Cn3ccc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000872592294 1297019282 /nfs/dbraw/zinc/01/92/82/1297019282.db2.gz XLFOMDKAHWJLRX-VQIMIIECSA-N 2 1 328.435 3.063 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000310136329 1297092107 /nfs/dbraw/zinc/09/21/07/1297092107.db2.gz ZMAYTSFHQPTEQZ-BRWVUGGUSA-N 2 1 341.540 3.483 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000310136329 1297092123 /nfs/dbraw/zinc/09/21/23/1297092123.db2.gz ZMAYTSFHQPTEQZ-BRWVUGGUSA-N 2 1 341.540 3.483 20 0 EGADMP CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000321961158 1297184329 /nfs/dbraw/zinc/18/43/29/1297184329.db2.gz XQCSKBCWBWJBEZ-SHTZXODSSA-N 2 1 337.508 3.039 20 0 EGADMP C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873204320 1297351022 /nfs/dbraw/zinc/35/10/22/1297351022.db2.gz CVCZREPBZSEWSF-KSSFIOAISA-N 2 1 328.481 3.356 20 0 EGADMP C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873204320 1297351030 /nfs/dbraw/zinc/35/10/30/1297351030.db2.gz CVCZREPBZSEWSF-KSSFIOAISA-N 2 1 328.481 3.356 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nccn3C)C2)cc1C ZINC000365664080 1297508574 /nfs/dbraw/zinc/50/85/74/1297508574.db2.gz PASDGHVWPOMNAV-SJORKVTESA-N 2 1 340.471 3.244 20 0 EGADMP C[C@H](CC[NH2+]C[C@H](O)c1ccc(F)cc1F)[N@H+](C)Cc1ccccc1 ZINC000379632367 1297534469 /nfs/dbraw/zinc/53/44/69/1297534469.db2.gz NQJQPQHXDDARQE-QRWLVFNGSA-N 2 1 348.437 3.498 20 0 EGADMP C[C@H](CC[NH2+]C[C@H](O)c1ccc(F)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000379632367 1297534477 /nfs/dbraw/zinc/53/44/77/1297534477.db2.gz NQJQPQHXDDARQE-QRWLVFNGSA-N 2 1 348.437 3.498 20 0 EGADMP CCc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc(C)[nH+]1 ZINC000390853457 1297636356 /nfs/dbraw/zinc/63/63/56/1297636356.db2.gz JSMVFSNONYAFHW-SFHVURJKSA-N 2 1 338.499 3.482 20 0 EGADMP CCc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc(C)[nH+]1 ZINC000390853457 1297636365 /nfs/dbraw/zinc/63/63/65/1297636365.db2.gz JSMVFSNONYAFHW-SFHVURJKSA-N 2 1 338.499 3.482 20 0 EGADMP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700804795 1298179291 /nfs/dbraw/zinc/17/92/91/1298179291.db2.gz RFQSSEQEKHUTBR-IRXDYDNUSA-N 2 1 341.540 3.391 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnc2ccccc2n1 ZINC000708574435 1298243605 /nfs/dbraw/zinc/24/36/05/1298243605.db2.gz NVIVVKIOKSHVRC-MJGOQNOKSA-N 2 1 346.478 3.488 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnc2ccccc2n1 ZINC000708574435 1298243619 /nfs/dbraw/zinc/24/36/19/1298243619.db2.gz NVIVVKIOKSHVRC-MJGOQNOKSA-N 2 1 346.478 3.488 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715394509 1298280332 /nfs/dbraw/zinc/28/03/32/1298280332.db2.gz OEWCVLYAHPVEEZ-MBPVOVBZSA-N 2 1 328.500 3.444 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(Cl)nn2)CC1 ZINC000717579643 1298302182 /nfs/dbraw/zinc/30/21/82/1298302182.db2.gz OEIIZTLUPHRMTA-UHFFFAOYSA-N 2 1 344.890 3.474 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(Cl)nn2)CC1 ZINC000717579643 1298302194 /nfs/dbraw/zinc/30/21/94/1298302194.db2.gz OEIIZTLUPHRMTA-UHFFFAOYSA-N 2 1 344.890 3.474 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@H]([NH3+])C(C)(C)C)CC1 ZINC000717502642 1298302272 /nfs/dbraw/zinc/30/22/72/1298302272.db2.gz MIPLWSNDNBFEHA-IBGZPJMESA-N 2 1 345.531 3.121 20 0 EGADMP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000721248567 1298333388 /nfs/dbraw/zinc/33/33/88/1298333388.db2.gz KLUHEUHXVHBUOK-HBMCJLEFSA-N 2 1 346.515 3.215 20 0 EGADMP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000721248567 1298333398 /nfs/dbraw/zinc/33/33/98/1298333398.db2.gz KLUHEUHXVHBUOK-HBMCJLEFSA-N 2 1 346.515 3.215 20 0 EGADMP C[N@H+](CC[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000724030379 1298344448 /nfs/dbraw/zinc/34/44/48/1298344448.db2.gz SUVCUIDUKLFCFK-HOTGVXAUSA-N 2 1 339.524 3.144 20 0 EGADMP C[N@@H+](CC[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000724030379 1298344459 /nfs/dbraw/zinc/34/44/59/1298344459.db2.gz SUVCUIDUKLFCFK-HOTGVXAUSA-N 2 1 339.524 3.144 20 0 EGADMP CC(C)[NH+](CC[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)C(C)C ZINC000724033425 1298344671 /nfs/dbraw/zinc/34/46/71/1298344671.db2.gz WYFURSKWDSKQGM-IRXDYDNUSA-N 2 1 341.540 3.388 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cn2c3ccccc3oc2=S)C1 ZINC000747469409 1298788627 /nfs/dbraw/zinc/78/86/27/1298788627.db2.gz GEUSGCZQBCHMBG-OAHLLOKOSA-N 2 1 349.500 3.354 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cn2c3ccccc3oc2=S)C1 ZINC000747469409 1298788633 /nfs/dbraw/zinc/78/86/33/1298788633.db2.gz GEUSGCZQBCHMBG-OAHLLOKOSA-N 2 1 349.500 3.354 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000876963985 1299091304 /nfs/dbraw/zinc/09/13/04/1299091304.db2.gz OEUQNKZVKPPWDM-INIZCTEOSA-N 2 1 339.524 3.003 20 0 EGADMP O=C(NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000749258620 1299180089 /nfs/dbraw/zinc/18/00/89/1299180089.db2.gz RLYYLHYZMPEEFV-QLOJAFMTSA-N 2 1 347.547 3.307 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877448024 1299308608 /nfs/dbraw/zinc/30/86/08/1299308608.db2.gz CAVMWIXWNKHQHZ-QXAKKESOSA-N 2 1 335.536 3.007 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(OCC(F)(F)F)c3)CC[C@@H]21 ZINC000877745027 1299523843 /nfs/dbraw/zinc/52/38/43/1299523843.db2.gz ZCHYPPSKQLAGMU-HOCLYGCPSA-N 2 1 328.378 3.154 20 0 EGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(OCC(F)(F)F)c3)CC[C@@H]21 ZINC000877745027 1299523850 /nfs/dbraw/zinc/52/38/50/1299523850.db2.gz ZCHYPPSKQLAGMU-HOCLYGCPSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(OCC(F)(F)F)c3)CC[C@@H]21 ZINC000877745027 1299523857 /nfs/dbraw/zinc/52/38/57/1299523857.db2.gz ZCHYPPSKQLAGMU-HOCLYGCPSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(OCC(F)(F)F)c3)CC[C@@H]21 ZINC000877745027 1299523864 /nfs/dbraw/zinc/52/38/64/1299523864.db2.gz ZCHYPPSKQLAGMU-HOCLYGCPSA-N 2 1 328.378 3.154 20 0 EGADMP c1cc(N2CCCC2)nc(N2CCC(CCC[NH+]3CCCC3)CC2)[nH+]1 ZINC000751946172 1299660245 /nfs/dbraw/zinc/66/02/45/1299660245.db2.gz KTUDDYCJAWNBHZ-UHFFFAOYSA-N 2 1 343.519 3.169 20 0 EGADMP COC(=O)Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754462306 1300148136 /nfs/dbraw/zinc/14/81/36/1300148136.db2.gz FAHGKDPYTIDTMX-VQIMIIECSA-N 2 1 344.499 3.145 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000759161691 1301029366 /nfs/dbraw/zinc/02/93/66/1301029366.db2.gz WYCBNASOXASPJP-INIZCTEOSA-N 2 1 341.540 3.247 20 0 EGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759843764 1301174827 /nfs/dbraw/zinc/17/48/27/1301174827.db2.gz IXQROJNYZIBZLG-KRWDZBQOSA-N 2 1 328.859 3.317 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759843764 1301174834 /nfs/dbraw/zinc/17/48/34/1301174834.db2.gz IXQROJNYZIBZLG-KRWDZBQOSA-N 2 1 328.859 3.317 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C(=O)CC23CCC3)CC1 ZINC000763217359 1301849271 /nfs/dbraw/zinc/84/92/71/1301849271.db2.gz SWLJSZBGGSIJOA-KRWDZBQOSA-N 2 1 333.520 3.075 20 0 EGADMP C[NH+]1CCC([NH2+]CC(C)(C)c2ccc(Br)cc2)CC1 ZINC000764960790 1302177164 /nfs/dbraw/zinc/17/71/64/1302177164.db2.gz FKXBTZONXDZRGI-UHFFFAOYSA-N 2 1 325.294 3.411 20 0 EGADMP CCc1nc2c(s1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC000765975814 1302359863 /nfs/dbraw/zinc/35/98/63/1302359863.db2.gz KUMNFXFMVKZWDR-HOTGVXAUSA-N 2 1 349.544 3.316 20 0 EGADMP O=C(CC[N@@H+]1CC[NH2+]CCC12CCC2)Nc1ccc(Cl)cc1F ZINC000883457875 1302450949 /nfs/dbraw/zinc/45/09/49/1302450949.db2.gz QJPNRERBUZMLHX-UHFFFAOYSA-N 2 1 339.842 3.026 20 0 EGADMP O=C(CC[N@H+]1CC[NH2+]CCC12CCC2)Nc1ccc(Cl)cc1F ZINC000883457875 1302450957 /nfs/dbraw/zinc/45/09/57/1302450957.db2.gz QJPNRERBUZMLHX-UHFFFAOYSA-N 2 1 339.842 3.026 20 0 EGADMP c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)C[C@@H]1CCCN21 ZINC000883462664 1302453608 /nfs/dbraw/zinc/45/36/08/1302453608.db2.gz WXXGGLNRROVLSR-NRFANRHFSA-N 2 1 333.479 3.317 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)nc2)[C@@H](C)C1 ZINC000766588226 1302482827 /nfs/dbraw/zinc/48/28/27/1302482827.db2.gz FTYDOLAHTVJRDN-DOTOQJQBSA-N 2 1 339.911 3.004 20 0 EGADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000884213181 1302772786 /nfs/dbraw/zinc/77/27/86/1302772786.db2.gz VIIXSVGYCODUOP-CRAIPNDOSA-N 2 1 347.503 3.028 20 0 EGADMP Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(OCC[NH+](C)C)cc2)no1 ZINC000768428223 1302899108 /nfs/dbraw/zinc/89/91/08/1302899108.db2.gz FIXJTGDTSSKAFJ-LJQANCHMSA-N 2 1 329.444 3.261 20 0 EGADMP Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(OCC[NH+](C)C)cc2)no1 ZINC000768428223 1302899119 /nfs/dbraw/zinc/89/91/19/1302899119.db2.gz FIXJTGDTSSKAFJ-LJQANCHMSA-N 2 1 329.444 3.261 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c1 ZINC000885948624 1303292545 /nfs/dbraw/zinc/29/25/45/1303292545.db2.gz AKLLZUGPIAKXIT-FQEVSTJZSA-N 2 1 346.515 3.345 20 0 EGADMP C[NH+](C[C@H]1CCCCO1)[C@H]1CC[C@H]([N@@H+](C)C[C@H]2CCCCO2)CC1 ZINC000886392113 1303454852 /nfs/dbraw/zinc/45/48/52/1303454852.db2.gz VNOAILSQXOCUMV-UAFMIMERSA-N 2 1 338.536 3.299 20 0 EGADMP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ncn(-c3ccccc3)n2)CC1 ZINC000886615928 1303526008 /nfs/dbraw/zinc/52/60/08/1303526008.db2.gz RHIPAAUVBWKDBV-UHFFFAOYSA-N 2 1 339.487 3.154 20 0 EGADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)c3ccc(F)cc3F)CC2)[nH+]c1C ZINC000886668246 1303548014 /nfs/dbraw/zinc/54/80/14/1303548014.db2.gz PLBDBLSNYBATRD-KRWDZBQOSA-N 2 1 335.398 3.218 20 0 EGADMP C[C@@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000775491841 1303972812 /nfs/dbraw/zinc/97/28/12/1303972812.db2.gz MEZNXMHQAWYSNQ-IRFCIJBXSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000775491841 1303972815 /nfs/dbraw/zinc/97/28/15/1303972815.db2.gz MEZNXMHQAWYSNQ-IRFCIJBXSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000775491841 1303972816 /nfs/dbraw/zinc/97/28/16/1303972816.db2.gz MEZNXMHQAWYSNQ-IRFCIJBXSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000775491840 1303973093 /nfs/dbraw/zinc/97/30/93/1303973093.db2.gz MEZNXMHQAWYSNQ-DYXWJJEUSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000775491840 1303973098 /nfs/dbraw/zinc/97/30/98/1303973098.db2.gz MEZNXMHQAWYSNQ-DYXWJJEUSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000775491840 1303973103 /nfs/dbraw/zinc/97/31/03/1303973103.db2.gz MEZNXMHQAWYSNQ-DYXWJJEUSA-N 2 1 329.532 3.361 20 0 EGADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000778975531 1304514400 /nfs/dbraw/zinc/51/44/00/1304514400.db2.gz JZWVZBCKRVWFAN-SJLPKXTDSA-N 2 1 325.456 3.090 20 0 EGADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000778975531 1304514401 /nfs/dbraw/zinc/51/44/01/1304514401.db2.gz JZWVZBCKRVWFAN-SJLPKXTDSA-N 2 1 325.456 3.090 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@](C)(O)c2ccccc2)[C@@H](C)C1 ZINC000779085222 1304527975 /nfs/dbraw/zinc/52/79/75/1304527975.db2.gz KUYVKSOJDVEEHA-JBACZVJFSA-N 2 1 348.531 3.011 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)CC1 ZINC000891930463 1305212399 /nfs/dbraw/zinc/21/23/99/1305212399.db2.gz WQIONKHRLMUZNF-QGZVFWFLSA-N 2 1 340.414 3.003 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H](C)O1 ZINC000892333417 1305320904 /nfs/dbraw/zinc/32/09/04/1305320904.db2.gz CZKZKWBLVKMYFT-GYMWCJPTSA-N 2 1 343.515 3.333 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)O1 ZINC000892333417 1305320909 /nfs/dbraw/zinc/32/09/09/1305320909.db2.gz CZKZKWBLVKMYFT-GYMWCJPTSA-N 2 1 343.515 3.333 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCS(=O)CC2)cc1 ZINC000892570550 1305446156 /nfs/dbraw/zinc/44/61/56/1305446156.db2.gz LXWDFGSVECWSHT-VHJYZYJHSA-N 2 1 334.529 3.062 20 0 EGADMP COCCOC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000892581637 1305452196 /nfs/dbraw/zinc/45/21/96/1305452196.db2.gz ZVJZBGSDZDOLGA-ROUUACIJSA-N 2 1 334.504 3.202 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(O)cc(Cl)c2)C[C@H](C)O1 ZINC000893037775 1305675675 /nfs/dbraw/zinc/67/56/75/1305675675.db2.gz JHMUUFHPGQHJFR-OKILXGFUSA-N 2 1 326.868 3.025 20 0 EGADMP Cn1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C2CC2)n1 ZINC000894114043 1306225275 /nfs/dbraw/zinc/22/52/75/1306225275.db2.gz SWTJAIGJSYCRCZ-UHFFFAOYSA-N 2 1 339.487 3.210 20 0 EGADMP Cn1cc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C2CC2)n1 ZINC000894227475 1306290095 /nfs/dbraw/zinc/29/00/95/1306290095.db2.gz SZVLHJKRSYFMTM-OAQYLSRUSA-N 2 1 338.499 3.299 20 0 EGADMP Cn1cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C2CC2)n1 ZINC000894227475 1306290106 /nfs/dbraw/zinc/29/01/06/1306290106.db2.gz SZVLHJKRSYFMTM-OAQYLSRUSA-N 2 1 338.499 3.299 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2csc(C(=O)OC)c2)c1 ZINC000894241480 1306297789 /nfs/dbraw/zinc/29/77/89/1306297789.db2.gz IZQGZHRVNLCGRL-UHFFFAOYSA-N 2 1 332.469 3.276 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)C2)cc1 ZINC000793207676 1309317777 /nfs/dbraw/zinc/31/77/77/1309317777.db2.gz RIZXEEAOYNEREL-AKHDSKFASA-N 2 1 348.581 3.478 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000895959336 1309614302 /nfs/dbraw/zinc/61/43/02/1309614302.db2.gz XUMRASNNSIBWFD-GOSISDBHSA-N 2 1 335.536 3.020 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H](CNc3nc(N4CCCC4)cc[nH+]3)C2)cc1 ZINC000795180106 1309688353 /nfs/dbraw/zinc/68/83/53/1309688353.db2.gz QQSWTQZFYVYRRX-SFHVURJKSA-N 2 1 337.471 3.011 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](CNc3nc(N4CCCC4)cc[nH+]3)C2)cc1 ZINC000795180106 1309688357 /nfs/dbraw/zinc/68/83/57/1309688357.db2.gz QQSWTQZFYVYRRX-SFHVURJKSA-N 2 1 337.471 3.011 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000796354860 1309976058 /nfs/dbraw/zinc/97/60/58/1309976058.db2.gz BPOYWRKVMDSUQZ-NRFANRHFSA-N 2 1 335.451 3.427 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000796354860 1309976067 /nfs/dbraw/zinc/97/60/67/1309976067.db2.gz BPOYWRKVMDSUQZ-NRFANRHFSA-N 2 1 335.451 3.427 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)nc(Cl)c2)[C@H](C)C1 ZINC000797600434 1310219403 /nfs/dbraw/zinc/21/94/03/1310219403.db2.gz UKPJZCZMCSFDOS-PBHICJAKSA-N 2 1 339.911 3.270 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)nc(Cl)c2)[C@H](C)C1 ZINC000797600434 1310219409 /nfs/dbraw/zinc/21/94/09/1310219409.db2.gz UKPJZCZMCSFDOS-PBHICJAKSA-N 2 1 339.911 3.270 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000798072463 1310291118 /nfs/dbraw/zinc/29/11/18/1310291118.db2.gz KTRRWBYXTAGRLZ-LJQANCHMSA-N 2 1 335.536 3.166 20 0 EGADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000897362783 1310307542 /nfs/dbraw/zinc/30/75/42/1310307542.db2.gz CDLVEKJDMQEKCT-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nnc(-c4cccc(F)c4)o3)C2)CC1 ZINC000799177537 1310499698 /nfs/dbraw/zinc/49/96/98/1310499698.db2.gz UFKMCLJIFJFMCB-UHFFFAOYSA-N 2 1 344.434 3.184 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)NCCCC3CCCCC3)C2)CC1 ZINC000799178533 1310499746 /nfs/dbraw/zinc/49/97/46/1310499746.db2.gz ZFGJGZSNHSLKBG-UHFFFAOYSA-N 2 1 349.563 3.271 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+]Cc3ccc4nonc4c3)CC2)cc1 ZINC000897991106 1310544063 /nfs/dbraw/zinc/54/40/63/1310544063.db2.gz JLHRKHQOUYJSDD-UHFFFAOYSA-N 2 1 336.439 3.020 20 0 EGADMP O=C(OCCC[NH+]1CCCC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000800174743 1310691233 /nfs/dbraw/zinc/69/12/33/1310691233.db2.gz VSFRTRVMDMUPNZ-IBGZPJMESA-N 2 1 330.472 3.070 20 0 EGADMP O=C(OCCC[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000800174743 1310691239 /nfs/dbraw/zinc/69/12/39/1310691239.db2.gz VSFRTRVMDMUPNZ-IBGZPJMESA-N 2 1 330.472 3.070 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+]CCOC3CCSCC3)CC2)cc1 ZINC000898440518 1310735892 /nfs/dbraw/zinc/73/58/92/1310735892.db2.gz RKSWWSPDFJJPOY-UHFFFAOYSA-N 2 1 348.556 3.195 20 0 EGADMP CC[C@@H](C)[NH+]1CCN(C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000857281325 1328526043 /nfs/dbraw/zinc/52/60/43/1328526043.db2.gz XQTAHXDHYGWOEI-YLJYHZDGSA-N 2 1 343.515 3.052 20 0 EGADMP CCN(C(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[C@H]1CC[N@@H+](CC)C1 ZINC000857310859 1328528147 /nfs/dbraw/zinc/52/81/47/1328528147.db2.gz JEGKOBVFCDTRJU-PMACEKPBSA-N 2 1 343.515 3.052 20 0 EGADMP CCN(C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)[C@H]1CC[NH+](CC)C1 ZINC000857310859 1328528149 /nfs/dbraw/zinc/52/81/49/1328528149.db2.gz JEGKOBVFCDTRJU-PMACEKPBSA-N 2 1 343.515 3.052 20 0 EGADMP CCN(C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[C@H]1CC[NH+](CC)C1 ZINC000857310859 1328528151 /nfs/dbraw/zinc/52/81/51/1328528151.db2.gz JEGKOBVFCDTRJU-PMACEKPBSA-N 2 1 343.515 3.052 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)CCOCc2ccccc2)CC1 ZINC000929506862 1328619442 /nfs/dbraw/zinc/61/94/42/1328619442.db2.gz PPVQZZSLTBEKOQ-NRFANRHFSA-N 2 1 348.531 3.006 20 0 EGADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857903114 1328620271 /nfs/dbraw/zinc/62/02/71/1328620271.db2.gz CITJDOWBXBRVER-INIZCTEOSA-N 2 1 345.874 3.453 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001018990822 1316995993 /nfs/dbraw/zinc/99/59/93/1316995993.db2.gz QTXFTGYXYITJRR-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001019076129 1317036537 /nfs/dbraw/zinc/03/65/37/1317036537.db2.gz NAOWBNGVVVIXEZ-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900013546 1317218022 /nfs/dbraw/zinc/21/80/22/1317218022.db2.gz KPMQIYZARIRWKS-IXDOHACOSA-N 2 1 347.528 3.018 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000957283491 1317260601 /nfs/dbraw/zinc/26/06/01/1317260601.db2.gz BEQKXXAHEXUHHD-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001019464086 1317260867 /nfs/dbraw/zinc/26/08/67/1317260867.db2.gz AWBUHVHHFRBWAB-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)C1 ZINC000900713346 1317327357 /nfs/dbraw/zinc/32/73/57/1317327357.db2.gz YZDFLICUVVVFHG-IYWMVGAKSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000900713346 1317327366 /nfs/dbraw/zinc/32/73/66/1317327366.db2.gz YZDFLICUVVVFHG-IYWMVGAKSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000900713346 1317327373 /nfs/dbraw/zinc/32/73/73/1317327373.db2.gz YZDFLICUVVVFHG-IYWMVGAKSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CC(C)C)CC2 ZINC000957555410 1317452360 /nfs/dbraw/zinc/45/23/60/1317452360.db2.gz BJOHEWUAQPNCOZ-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(N(C)C)c3ccccc23)CC[N@@H+]1C ZINC000929782966 1328700355 /nfs/dbraw/zinc/70/03/55/1328700355.db2.gz OEIXAWIYQYMJDU-NVXWUHKLSA-N 2 1 326.488 3.215 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(N(C)C)c3ccccc23)CC[N@H+]1C ZINC000929782966 1328700359 /nfs/dbraw/zinc/70/03/59/1328700359.db2.gz OEIXAWIYQYMJDU-NVXWUHKLSA-N 2 1 326.488 3.215 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc(N(C)C)c3ccccc23)CC[NH+]1C ZINC000929782966 1328700363 /nfs/dbraw/zinc/70/03/63/1328700363.db2.gz OEIXAWIYQYMJDU-NVXWUHKLSA-N 2 1 326.488 3.215 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(N(C)C)c3ccccc23)CC[NH+]1C ZINC000929782966 1328700368 /nfs/dbraw/zinc/70/03/68/1328700368.db2.gz OEIXAWIYQYMJDU-NVXWUHKLSA-N 2 1 326.488 3.215 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001020028775 1317508020 /nfs/dbraw/zinc/50/80/20/1317508020.db2.gz JIPDDNVXYCAXOF-XLAORIBOSA-N 2 1 349.906 3.122 20 0 EGADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CC2([NH3+])CC2)CCC3)cc1 ZINC000902415792 1317576033 /nfs/dbraw/zinc/57/60/33/1317576033.db2.gz JPZSLVFEWNQAHV-AWEZNQCLSA-N 2 1 329.469 3.277 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1)C(C)C ZINC000957720484 1317589059 /nfs/dbraw/zinc/58/90/59/1317589059.db2.gz POYXJTXHQWVPIG-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+](CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1)C(C)C ZINC000957720484 1317589062 /nfs/dbraw/zinc/58/90/62/1317589062.db2.gz POYXJTXHQWVPIG-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+](CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1)C(C)C ZINC000957720484 1317589067 /nfs/dbraw/zinc/58/90/67/1317589067.db2.gz POYXJTXHQWVPIG-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001020213918 1317596145 /nfs/dbraw/zinc/59/61/45/1317596145.db2.gz AQYPZTCXNVGLOD-FHWLQOOXSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001020238899 1317604201 /nfs/dbraw/zinc/60/42/01/1317604201.db2.gz HMUHJEMCLBPGQO-FHWLQOOXSA-N 2 1 347.547 3.066 20 0 EGADMP CC[N@@H+](CC1CCCC1)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000957744785 1317610361 /nfs/dbraw/zinc/61/03/61/1317610361.db2.gz OHDIMTBCYBLMHA-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000902789610 1317616495 /nfs/dbraw/zinc/61/64/95/1317616495.db2.gz LJCIHLGJBLESHS-NJDAHSKKSA-N 2 1 330.516 3.488 20 0 EGADMP CC[C@@H](C(=O)N1CCC(C[N@@H+](CC)Cc2ccccc2)CC1)[NH+](C)C ZINC000957753617 1317621915 /nfs/dbraw/zinc/62/19/15/1317621915.db2.gz YXUNMEPARGJFOK-FQEVSTJZSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1F)C2 ZINC000903116352 1317655531 /nfs/dbraw/zinc/65/55/31/1317655531.db2.gz HJFYHNRINSYGOY-RNEPCJONSA-N 2 1 338.442 3.095 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C1CC(c3ccc(F)cc3)C1)C2 ZINC000903117678 1317657069 /nfs/dbraw/zinc/65/70/69/1317657069.db2.gz VKQAYUNFZHLDLN-ZWCODDFTSA-N 2 1 346.490 3.141 20 0 EGADMP C[C@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000903172593 1317667418 /nfs/dbraw/zinc/66/74/18/1317667418.db2.gz SDFZWRATCUORNV-NGMPGZOMSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC[NH+]1Cc1ccccc1 ZINC000903172593 1317667421 /nfs/dbraw/zinc/66/74/21/1317667421.db2.gz SDFZWRATCUORNV-NGMPGZOMSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC[NH+]1Cc1ccccc1 ZINC000903172593 1317667425 /nfs/dbraw/zinc/66/74/25/1317667425.db2.gz SDFZWRATCUORNV-NGMPGZOMSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCN1Cc1ccccc1 ZINC000903172593 1317667429 /nfs/dbraw/zinc/66/74/29/1317667429.db2.gz SDFZWRATCUORNV-NGMPGZOMSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCN1Cc1ccccc1 ZINC000903172593 1317667432 /nfs/dbraw/zinc/66/74/32/1317667432.db2.gz SDFZWRATCUORNV-NGMPGZOMSA-N 2 1 339.527 3.397 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)cc1 ZINC000903214067 1317674834 /nfs/dbraw/zinc/67/48/34/1317674834.db2.gz WRYVAZFBFWAEJZ-SWSHNKPGSA-N 2 1 339.527 3.317 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cc1 ZINC000903214067 1317674838 /nfs/dbraw/zinc/67/48/38/1317674838.db2.gz WRYVAZFBFWAEJZ-SWSHNKPGSA-N 2 1 339.527 3.317 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903214067 1317674841 /nfs/dbraw/zinc/67/48/41/1317674841.db2.gz WRYVAZFBFWAEJZ-SWSHNKPGSA-N 2 1 339.527 3.317 20 0 EGADMP Cc1ccc(CN2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cc1 ZINC000903214067 1317674846 /nfs/dbraw/zinc/67/48/46/1317674846.db2.gz WRYVAZFBFWAEJZ-SWSHNKPGSA-N 2 1 339.527 3.317 20 0 EGADMP Cc1ccc(CN2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903214067 1317674849 /nfs/dbraw/zinc/67/48/49/1317674849.db2.gz WRYVAZFBFWAEJZ-SWSHNKPGSA-N 2 1 339.527 3.317 20 0 EGADMP COc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C2CC2)cn1 ZINC000903208901 1317674973 /nfs/dbraw/zinc/67/49/73/1317674973.db2.gz BQVDUPJHIFILMF-WQHGSSGSSA-N 2 1 327.472 3.289 20 0 EGADMP O[C@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000903440639 1317700170 /nfs/dbraw/zinc/70/01/70/1317700170.db2.gz RTRZOXDOWSLEOI-GDXKHXNESA-N 2 1 348.490 3.430 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC[C@@H]1c1ccccc1 ZINC000903735427 1317728501 /nfs/dbraw/zinc/72/85/01/1317728501.db2.gz ZUOPKCMZYAZODC-RLLQIKCJSA-N 2 1 328.500 3.271 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(C)CC3)C2)C1 ZINC001020500189 1317730587 /nfs/dbraw/zinc/73/05/87/1317730587.db2.gz QKKHGHGQVBGHQN-WFAGLZIHSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@]1(Cc2cccs2)CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903789220 1317733764 /nfs/dbraw/zinc/73/37/64/1317733764.db2.gz UWFKJCSLSMMODX-FUHWJXTLSA-N 2 1 334.529 3.304 20 0 EGADMP COCCC[N@@H+](CCc1ccc(OC)cc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903895018 1317743741 /nfs/dbraw/zinc/74/37/41/1317743741.db2.gz JPMGHOWFOMZHRW-IHWFROFDSA-N 2 1 346.515 3.107 20 0 EGADMP Cc1ccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c(-c2cnn(C)c2)c1 ZINC000903959168 1317756195 /nfs/dbraw/zinc/75/61/95/1317756195.db2.gz CHGXPGZTPGBOFI-NRFANRHFSA-N 2 1 338.499 3.361 20 0 EGADMP Cc1oc2ccccc2c1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980645 1317760503 /nfs/dbraw/zinc/76/05/03/1317760503.db2.gz WQGCNLCDQZEDRK-HDICACEKSA-N 2 1 339.483 3.142 20 0 EGADMP Cc1oc2ccccc2c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980645 1317760509 /nfs/dbraw/zinc/76/05/09/1317760509.db2.gz WQGCNLCDQZEDRK-HDICACEKSA-N 2 1 339.483 3.142 20 0 EGADMP Cc1oc2ccccc2c1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903980645 1317760513 /nfs/dbraw/zinc/76/05/13/1317760513.db2.gz WQGCNLCDQZEDRK-HDICACEKSA-N 2 1 339.483 3.142 20 0 EGADMP Cc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1Cl ZINC000903980375 1317760720 /nfs/dbraw/zinc/76/07/20/1317760720.db2.gz POUKZKZXZSKPEK-HDICACEKSA-N 2 1 333.907 3.049 20 0 EGADMP C[C@]1(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)CCC[NH2+]C1 ZINC000904370990 1317837707 /nfs/dbraw/zinc/83/77/07/1317837707.db2.gz GZHXHWAOGXLYSH-CABCVRRESA-N 2 1 334.426 3.057 20 0 EGADMP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000904372665 1317838737 /nfs/dbraw/zinc/83/87/37/1317838737.db2.gz FYRJDSDXPGCAES-OALUTQOASA-N 2 1 348.531 3.260 20 0 EGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000904406762 1317843143 /nfs/dbraw/zinc/84/31/43/1317843143.db2.gz VVGLFRILZWETND-JTQLQIEISA-N 2 1 349.219 3.221 20 0 EGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000904405546 1317843620 /nfs/dbraw/zinc/84/36/20/1317843620.db2.gz NNAMEYGPUHJROI-KRWDZBQOSA-N 2 1 347.466 3.105 20 0 EGADMP [NH3+]C1(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000904451309 1317849473 /nfs/dbraw/zinc/84/94/73/1317849473.db2.gz XENILJBMVWLMLP-UHFFFAOYSA-N 2 1 338.480 3.241 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001020675915 1317852179 /nfs/dbraw/zinc/85/21/79/1317852179.db2.gz KKWUIJAMYGBVSJ-GUDVDZBRSA-N 2 1 335.536 3.066 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)cc1 ZINC000809737805 1317884087 /nfs/dbraw/zinc/88/40/87/1317884087.db2.gz LKMUPSVFXKOGEV-UHFFFAOYSA-N 2 1 349.519 3.483 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000809750265 1317890183 /nfs/dbraw/zinc/89/01/83/1317890183.db2.gz RXLBISCFSALTLR-KRWDZBQOSA-N 2 1 339.524 3.194 20 0 EGADMP [NH3+]C1CC[NH+](CCNc2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000905703950 1317981084 /nfs/dbraw/zinc/98/10/84/1317981084.db2.gz FNOQJVLDFAGQEV-UHFFFAOYSA-N 2 1 347.466 3.132 20 0 EGADMP Cc1ccc(-n2cc(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)nn2)cc1 ZINC000906265922 1318066622 /nfs/dbraw/zinc/06/66/22/1318066622.db2.gz BYNAGAHQMHFOEB-UHFFFAOYSA-N 2 1 341.503 3.128 20 0 EGADMP Cc1ccc(-n2cc(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)nn2)cc1 ZINC000906265922 1318066632 /nfs/dbraw/zinc/06/66/32/1318066632.db2.gz BYNAGAHQMHFOEB-UHFFFAOYSA-N 2 1 341.503 3.128 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001021089395 1318076922 /nfs/dbraw/zinc/07/69/22/1318076922.db2.gz BZJQHADPHRSCDI-BMOGMMAESA-N 2 1 349.563 3.457 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2cc[nH+]c(CO)c2)C1 ZINC000858351662 1328743002 /nfs/dbraw/zinc/74/30/02/1328743002.db2.gz MVIDUVRXLKFGNX-MRXNPFEDSA-N 2 1 325.456 3.418 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1=CCCCC1 ZINC001021211444 1318142504 /nfs/dbraw/zinc/14/25/04/1318142504.db2.gz WPAUPJXYIQXMJZ-NXEWRWPSSA-N 2 1 345.531 3.083 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)CC[N@H+]1C ZINC001021262944 1318162505 /nfs/dbraw/zinc/16/25/05/1318162505.db2.gz GMCZSRSPFBBFNN-HDDXRBDOSA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001021262944 1318162509 /nfs/dbraw/zinc/16/25/09/1318162509.db2.gz GMCZSRSPFBBFNN-HDDXRBDOSA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001021262944 1318162516 /nfs/dbraw/zinc/16/25/16/1318162516.db2.gz GMCZSRSPFBBFNN-HDDXRBDOSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001021399703 1318232415 /nfs/dbraw/zinc/23/24/15/1318232415.db2.gz OVJWCDGULJVLQK-RAFMOHDBSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001021399703 1318232424 /nfs/dbraw/zinc/23/24/24/1318232424.db2.gz OVJWCDGULJVLQK-RAFMOHDBSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001021399703 1318232435 /nfs/dbraw/zinc/23/24/35/1318232435.db2.gz OVJWCDGULJVLQK-RAFMOHDBSA-N 2 1 347.547 3.161 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811744111 1318251088 /nfs/dbraw/zinc/25/10/88/1318251088.db2.gz WKWSIIMPJJILDT-IBGZPJMESA-N 2 1 343.515 3.175 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811744111 1318251097 /nfs/dbraw/zinc/25/10/97/1318251097.db2.gz WKWSIIMPJJILDT-IBGZPJMESA-N 2 1 343.515 3.175 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(N(C)C)c3ccccc23)[C@@H](C)C1 ZINC000930001784 1328762079 /nfs/dbraw/zinc/76/20/79/1328762079.db2.gz WFHANCGDNFSCKR-OXJNMPFZSA-N 2 1 340.515 3.463 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(N(C)C)c3ccccc23)[C@@H](C)C1 ZINC000930001784 1328762083 /nfs/dbraw/zinc/76/20/83/1328762083.db2.gz WFHANCGDNFSCKR-OXJNMPFZSA-N 2 1 340.515 3.463 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(N(C)C)c3ccccc23)[C@@H](C)C1 ZINC000930001784 1328762085 /nfs/dbraw/zinc/76/20/85/1328762085.db2.gz WFHANCGDNFSCKR-OXJNMPFZSA-N 2 1 340.515 3.463 20 0 EGADMP OCc1cc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC000858432808 1328760931 /nfs/dbraw/zinc/76/09/31/1328760931.db2.gz XLGDPZDWJUQLRS-OAQYLSRUSA-N 2 1 337.467 3.066 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000812701515 1318443048 /nfs/dbraw/zinc/44/30/48/1318443048.db2.gz WQWFVOMUGMMJFA-KRWDZBQOSA-N 2 1 348.535 3.010 20 0 EGADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000909387000 1318467320 /nfs/dbraw/zinc/46/73/20/1318467320.db2.gz LGTHCHCRQWEMSZ-IRLDBZIGSA-N 2 1 336.479 3.091 20 0 EGADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000909387000 1318467325 /nfs/dbraw/zinc/46/73/25/1318467325.db2.gz LGTHCHCRQWEMSZ-IRLDBZIGSA-N 2 1 336.479 3.091 20 0 EGADMP OCc1cc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc[nH+]1 ZINC000858480672 1328774750 /nfs/dbraw/zinc/77/47/50/1328774750.db2.gz ZQVYTSPSAXXDIR-IOMROCGXSA-N 2 1 337.467 3.287 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700569 1318572978 /nfs/dbraw/zinc/57/29/78/1318572978.db2.gz RGDDEKDFXVTDPE-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Br)nc1 ZINC000858492247 1328777977 /nfs/dbraw/zinc/77/79/77/1328777977.db2.gz VDKZAGZIKOCHSA-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(Br)nc1 ZINC000858492247 1328777982 /nfs/dbraw/zinc/77/79/82/1328777982.db2.gz VDKZAGZIKOCHSA-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Br)nc1 ZINC000858492247 1328777986 /nfs/dbraw/zinc/77/79/86/1328777986.db2.gz VDKZAGZIKOCHSA-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001022069973 1318788631 /nfs/dbraw/zinc/78/86/31/1318788631.db2.gz PUYJDZGAIZMPFA-RSPOEFSDSA-N 2 1 343.515 3.166 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CC2CCCC2)C1 ZINC000960688235 1318793613 /nfs/dbraw/zinc/79/36/13/1318793613.db2.gz FNMOGOSGJWHTGQ-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CCC[C@H]2C[N@H+](C)CC2CCCC2)C1 ZINC000960688235 1318793621 /nfs/dbraw/zinc/79/36/21/1318793621.db2.gz FNMOGOSGJWHTGQ-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCCC2)C1 ZINC000960688235 1318793627 /nfs/dbraw/zinc/79/36/27/1318793627.db2.gz FNMOGOSGJWHTGQ-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1ccccc1C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC000960689474 1318794326 /nfs/dbraw/zinc/79/43/26/1318794326.db2.gz PSSRIYJPKSTXKB-PMACEKPBSA-N 2 1 345.531 3.004 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1)c1ccccc1 ZINC001022106462 1318797337 /nfs/dbraw/zinc/79/73/37/1318797337.db2.gz JDQCRWNJUIVDTG-PXTPFGJHSA-N 2 1 343.515 3.105 20 0 EGADMP C[N@@H+](C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C)CC1CCCCCC1 ZINC000960712804 1318818140 /nfs/dbraw/zinc/81/81/40/1318818140.db2.gz UYQAEFRWYZYKBF-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001022201370 1318839467 /nfs/dbraw/zinc/83/94/67/1318839467.db2.gz HMUHJEMCLBPGQO-CEXWTWQISA-N 2 1 347.547 3.066 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001022279425 1318872494 /nfs/dbraw/zinc/87/24/94/1318872494.db2.gz XYVYBNYESACPTB-YRPNKDGESA-N 2 1 347.547 3.211 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC2CCCC2)C1 ZINC000960811565 1318930511 /nfs/dbraw/zinc/93/05/11/1318930511.db2.gz BVYVCOBHNUHTDU-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCCC2)C1 ZINC000960811565 1318930513 /nfs/dbraw/zinc/93/05/13/1318930513.db2.gz BVYVCOBHNUHTDU-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCCC2)C1 ZINC000960811565 1318930520 /nfs/dbraw/zinc/93/05/20/1318930520.db2.gz BVYVCOBHNUHTDU-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC([NH+]3CCC3)CC2)cc1)C(C)C ZINC000912879465 1318949252 /nfs/dbraw/zinc/94/92/52/1318949252.db2.gz BZDLCGAHDXAVPG-UHFFFAOYSA-N 2 1 343.515 3.227 20 0 EGADMP CC1CCC(C[N@@H+](C)C[C@@H]2CCCN2C(=O)C2CC[NH+](C)CC2)CC1 ZINC000960830101 1318957582 /nfs/dbraw/zinc/95/75/82/1318957582.db2.gz AAORYDNOJVJJNO-QLOJAFMTSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC[C@@H]2C[N@@H+](C)CC2=CCCCC2)CC1 ZINC000960940279 1319079700 /nfs/dbraw/zinc/07/97/00/1319079700.db2.gz MNUUAXUKJVVWJU-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1)c1ccccc1 ZINC001022717226 1319080741 /nfs/dbraw/zinc/08/07/41/1319080741.db2.gz UJKRHUQWPSRJJR-CEXWTWQISA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1)[NH+]1CCCC1 ZINC000961031721 1319156171 /nfs/dbraw/zinc/15/61/71/1319156171.db2.gz NRYDRTKOYCFCFE-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](C[C@H]1CCCN1C(=O)Cn1ccnc1)CC1CCC(C)(C)CC1 ZINC000961034920 1319159233 /nfs/dbraw/zinc/15/92/33/1319159233.db2.gz ALRCASUABDFYBZ-GOSISDBHSA-N 2 1 346.519 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001022957351 1319187205 /nfs/dbraw/zinc/18/72/05/1319187205.db2.gz TZDODFIZAFAIQW-ZCNNSNEGSA-N 2 1 347.547 3.378 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001023130895 1319275448 /nfs/dbraw/zinc/27/54/48/1319275448.db2.gz LHKCTPNYAPRBSJ-CEXWTWQISA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188698 1319301382 /nfs/dbraw/zinc/30/13/82/1319301382.db2.gz XBWPBMINYUWRMA-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253640 1319399209 /nfs/dbraw/zinc/39/92/09/1319399209.db2.gz RFLGWBONFPCNMG-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253637 1319399996 /nfs/dbraw/zinc/39/99/96/1319399996.db2.gz RFLGWBONFPCNMG-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP COc1cccc2[nH]cc(CC[NH2+][C@H](Cc3ccccc3)[C@H](C)[NH3+])c21 ZINC000817920327 1319461811 /nfs/dbraw/zinc/46/18/11/1319461811.db2.gz IFHNYBHWXDYCFA-HNAYVOBHSA-N 2 1 337.467 3.267 20 0 EGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(Br)nc1 ZINC000817958454 1319476441 /nfs/dbraw/zinc/47/64/41/1319476441.db2.gz JTVODHHQFDRKJV-RISCZKNCSA-N 2 1 326.282 3.402 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817963052 1319479310 /nfs/dbraw/zinc/47/93/10/1319479310.db2.gz RETWOOVUDLWYFK-OWCLPIDISA-N 2 1 327.513 3.272 20 0 EGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817982513 1319485970 /nfs/dbraw/zinc/48/59/70/1319485970.db2.gz UGEQWZUJTYLOFG-GVDBMIGSSA-N 2 1 339.524 3.272 20 0 EGADMP COC(OC)c1ccc(F)c(C[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000818191548 1319514501 /nfs/dbraw/zinc/51/45/01/1319514501.db2.gz GNLNFDIXDQEXSF-UHFFFAOYSA-N 2 1 335.423 3.192 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961374148 1319530085 /nfs/dbraw/zinc/53/00/85/1319530085.db2.gz JRHKBKCQAPCQBD-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001023466679 1319564509 /nfs/dbraw/zinc/56/45/09/1319564509.db2.gz LBLAPRGVEHJJCH-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+](CC=C(C)C)C2)CC1)[NH+](C)C ZINC000961410767 1319567312 /nfs/dbraw/zinc/56/73/12/1319567312.db2.gz IMZGIEBPCRYSSV-UXHICEINSA-N 2 1 349.563 3.243 20 0 EGADMP CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC000961410713 1319567737 /nfs/dbraw/zinc/56/77/37/1319567737.db2.gz CUUYVANVGYLIEE-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000818965023 1319594460 /nfs/dbraw/zinc/59/44/60/1319594460.db2.gz CBFZNVKHSIKXSL-MLGOLLRUSA-N 2 1 341.377 3.170 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CCC3CCCCC3)C2)CC1 ZINC001023569930 1319685041 /nfs/dbraw/zinc/68/50/41/1319685041.db2.gz WPQYSOXZGUOZMN-IBGZPJMESA-N 2 1 349.563 3.127 20 0 EGADMP C[N@@H+](CCCC[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000819361570 1319709650 /nfs/dbraw/zinc/70/96/50/1319709650.db2.gz HYIDOSPCHJFAPG-MRXNPFEDSA-N 2 1 330.394 3.203 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC000961829046 1319743484 /nfs/dbraw/zinc/74/34/84/1319743484.db2.gz NBLFTOHEVMABOY-MHJFOBGBSA-N 2 1 349.563 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC(C[NH2+]CC3CCCCC3)C2)C1 ZINC000962217320 1319863744 /nfs/dbraw/zinc/86/37/44/1319863744.db2.gz RRCFVYPJXRVUMC-GPJFCIFZSA-N 2 1 349.563 3.173 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023763590 1319910224 /nfs/dbraw/zinc/91/02/24/1319910224.db2.gz UREXTHOSFGCESL-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001023763590 1319910232 /nfs/dbraw/zinc/91/02/32/1319910232.db2.gz UREXTHOSFGCESL-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001023763590 1319910242 /nfs/dbraw/zinc/91/02/42/1319910242.db2.gz UREXTHOSFGCESL-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001023763357 1319911762 /nfs/dbraw/zinc/91/17/62/1319911762.db2.gz KKHWMPNFSRLLOL-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001023763357 1319911771 /nfs/dbraw/zinc/91/17/71/1319911771.db2.gz KKHWMPNFSRLLOL-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP O[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccco1 ZINC000820806207 1319954839 /nfs/dbraw/zinc/95/48/39/1319954839.db2.gz CDYRTHSMQPLVIH-RAFMOHDBSA-N 2 1 340.467 3.488 20 0 EGADMP Clc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc2c1OCCO2 ZINC000820808551 1319956951 /nfs/dbraw/zinc/95/69/51/1319956951.db2.gz IPRXQENEBUVWJB-VHRNVKJDSA-N 2 1 348.874 3.359 20 0 EGADMP Clc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc2c1OCCO2 ZINC000820808551 1319956961 /nfs/dbraw/zinc/95/69/61/1319956961.db2.gz IPRXQENEBUVWJB-VHRNVKJDSA-N 2 1 348.874 3.359 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000823736682 1320202184 /nfs/dbraw/zinc/20/21/84/1320202184.db2.gz KNUWEOBXLDWEQH-IRXDYDNUSA-N 2 1 341.540 3.105 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000823736681 1320202326 /nfs/dbraw/zinc/20/23/26/1320202326.db2.gz KNUWEOBXLDWEQH-IAGOWNOFSA-N 2 1 341.540 3.105 20 0 EGADMP C[C@H]1C[C@@H](NCc2cc(C3CC3)nn2C)CC[N@H+]1Cc1ccccc1 ZINC000823966680 1320219031 /nfs/dbraw/zinc/21/90/31/1320219031.db2.gz ZOUPRWKTIQBTSM-LPHOPBHVSA-N 2 1 338.499 3.440 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000827459844 1320455320 /nfs/dbraw/zinc/45/53/20/1320455320.db2.gz PMSHRNLUBRGHPE-KRWDZBQOSA-N 2 1 345.487 3.012 20 0 EGADMP Fc1cc(Br)ccc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000838944708 1320838876 /nfs/dbraw/zinc/83/88/76/1320838876.db2.gz SNJRZUYNMNVOLR-UHFFFAOYSA-N 2 1 341.268 3.347 20 0 EGADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1(C)C ZINC000840722440 1321135447 /nfs/dbraw/zinc/13/54/47/1321135447.db2.gz HVTCECHSEOBACK-KZNAEPCWSA-N 2 1 338.536 3.202 20 0 EGADMP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OC(=O)CC ZINC000840945368 1321182908 /nfs/dbraw/zinc/18/29/08/1321182908.db2.gz LLUSJUNLECTNFC-WBVHZDCISA-N 2 1 348.487 3.173 20 0 EGADMP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OC(=O)CC ZINC000840945368 1321182911 /nfs/dbraw/zinc/18/29/11/1321182911.db2.gz LLUSJUNLECTNFC-WBVHZDCISA-N 2 1 348.487 3.173 20 0 EGADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1OC(=O)CC ZINC000840945368 1321182915 /nfs/dbraw/zinc/18/29/15/1321182915.db2.gz LLUSJUNLECTNFC-WBVHZDCISA-N 2 1 348.487 3.173 20 0 EGADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC(=O)CC ZINC000840945368 1321182919 /nfs/dbraw/zinc/18/29/19/1321182919.db2.gz LLUSJUNLECTNFC-WBVHZDCISA-N 2 1 348.487 3.173 20 0 EGADMP CCOc1cc(C[NH2+]CC2([NH3+])CCCCC2)ccc1OC(=O)CC ZINC000841040726 1321207628 /nfs/dbraw/zinc/20/76/28/1321207628.db2.gz YOJGVOXFCAPNRW-UHFFFAOYSA-N 2 1 334.460 3.152 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@@H](C)C[NH3+] ZINC000841049516 1321209083 /nfs/dbraw/zinc/20/90/83/1321209083.db2.gz SWUGIVNRBRKEHW-NSHDSACASA-N 2 1 341.286 3.231 20 0 EGADMP CC(=O)Oc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000859212639 1328946883 /nfs/dbraw/zinc/94/68/83/1328946883.db2.gz QPXKSNCXLBILOB-UHFFFAOYSA-N 2 1 326.440 3.306 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000841762881 1321309183 /nfs/dbraw/zinc/30/91/83/1321309183.db2.gz KHQCDQAGLKDEGR-XOYOTBSWSA-N 2 1 334.529 3.473 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCC(=O)Nc2cccc(F)c2)cc1 ZINC000859214919 1328947942 /nfs/dbraw/zinc/94/79/42/1328947942.db2.gz RCZUMKGJQXEPMU-UHFFFAOYSA-N 2 1 343.446 3.348 20 0 EGADMP CC(C)N(C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)C1CCCC1 ZINC000859215134 1328948367 /nfs/dbraw/zinc/94/83/67/1328948367.db2.gz VOYFBMIFZIMBRM-UHFFFAOYSA-N 2 1 345.531 3.360 20 0 EGADMP CC(C)N(C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)C1CCCC1 ZINC000859215134 1328948372 /nfs/dbraw/zinc/94/83/72/1328948372.db2.gz VOYFBMIFZIMBRM-UHFFFAOYSA-N 2 1 345.531 3.360 20 0 EGADMP CC(C)n1ncc2cc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c(Cl)nc21 ZINC000843058188 1321463813 /nfs/dbraw/zinc/46/38/13/1321463813.db2.gz OATOFVDFZZUNGU-RCBQFDQVSA-N 2 1 347.894 3.225 20 0 EGADMP CC(C)n1ncc2cc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c(Cl)nc21 ZINC000843058188 1321463814 /nfs/dbraw/zinc/46/38/14/1321463814.db2.gz OATOFVDFZZUNGU-RCBQFDQVSA-N 2 1 347.894 3.225 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1nc(Br)cs1 ZINC000843343637 1321503060 /nfs/dbraw/zinc/50/30/60/1321503060.db2.gz BSMQEOIOZAUZCH-VIFPVBQESA-N 2 1 326.263 3.215 20 0 EGADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)C1CCC([NH3+])CC1 ZINC000843353519 1321504433 /nfs/dbraw/zinc/50/44/33/1321504433.db2.gz AUBOPSPWIOYGTD-UHFFFAOYSA-N 2 1 327.831 3.009 20 0 EGADMP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843355025 1321505398 /nfs/dbraw/zinc/50/53/98/1321505398.db2.gz JHYAMKLAQSXOBW-OOHWJJMZSA-N 2 1 343.471 3.154 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000846218385 1321777528 /nfs/dbraw/zinc/77/75/28/1321777528.db2.gz MTZFSDZLDIARBF-MRXNPFEDSA-N 2 1 341.293 3.342 20 0 EGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(Br)CC1 ZINC000846808808 1321810607 /nfs/dbraw/zinc/81/06/07/1321810607.db2.gz JPYCZVRCMZURAG-INIZCTEOSA-N 2 1 337.305 3.368 20 0 EGADMP Clc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000848549601 1321974267 /nfs/dbraw/zinc/97/42/67/1321974267.db2.gz XJRQWMJNMNYCQY-RTBURBONSA-N 2 1 334.891 3.040 20 0 EGADMP CCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H](O)c1ccccc1 ZINC000848548585 1321974316 /nfs/dbraw/zinc/97/43/16/1321974316.db2.gz DJINKXITDBLYLI-PCCBWWKXSA-N 2 1 346.515 3.122 20 0 EGADMP Cc1ccc(CNC(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000849056940 1322060620 /nfs/dbraw/zinc/06/06/20/1322060620.db2.gz GOZASDXDKXRAHC-SFHVURJKSA-N 2 1 340.471 3.429 20 0 EGADMP CCc1ccc([C@@H](CNC(=[NH2+])NCCc2ccccc2)[NH+](C)C)cc1 ZINC000849057692 1322062005 /nfs/dbraw/zinc/06/20/05/1322062005.db2.gz JDCYWQNGKCRKKH-HXUWFJFHSA-N 2 1 338.499 3.208 20 0 EGADMP Cc1ccc(CNC(=[NH2+])NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000849064577 1322064566 /nfs/dbraw/zinc/06/45/66/1322064566.db2.gz NXEMWENGTBYFMC-CALCHBBNSA-N 2 1 330.520 3.365 20 0 EGADMP CC[N@@H+](CCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)C(C)C ZINC000849084146 1322072429 /nfs/dbraw/zinc/07/24/29/1322072429.db2.gz ZFJOQWNYWMSXLW-UHFFFAOYSA-N 2 1 332.370 3.252 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(F)(F)F)cc1C ZINC000849087722 1322073087 /nfs/dbraw/zinc/07/30/87/1322073087.db2.gz KYNFGLIEYVNECF-HNNXBMFYSA-N 2 1 342.409 3.112 20 0 EGADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000850285132 1322222589 /nfs/dbraw/zinc/22/25/89/1322222589.db2.gz GMCIABBPONZGLC-NRFANRHFSA-N 2 1 338.499 3.299 20 0 EGADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000850285132 1322222595 /nfs/dbraw/zinc/22/25/95/1322222595.db2.gz GMCIABBPONZGLC-NRFANRHFSA-N 2 1 338.499 3.299 20 0 EGADMP CCOC(=O)NC1CCC([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000850424636 1322245066 /nfs/dbraw/zinc/24/50/66/1322245066.db2.gz LLOVVMDFTYRJFH-WWDZGPRUSA-N 2 1 339.524 3.145 20 0 EGADMP CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000922170642 1322470999 /nfs/dbraw/zinc/47/09/99/1322470999.db2.gz TWDRBIFOBRQAIX-JKSUJKDBSA-N 2 1 339.524 3.144 20 0 EGADMP CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000922170642 1322471001 /nfs/dbraw/zinc/47/10/01/1322471001.db2.gz TWDRBIFOBRQAIX-JKSUJKDBSA-N 2 1 339.524 3.144 20 0 EGADMP Cc1cccc2[nH]c(C[NH2+][C@@H]3C[C@@]4(C[N@H+](C)[C@H]4C(C)C)C[C@H]3O)cc21 ZINC000922390786 1322516830 /nfs/dbraw/zinc/51/68/30/1322516830.db2.gz OVWWJHKLUCFLHZ-CGXNFDGLSA-N 2 1 341.499 3.046 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000922868416 1322636059 /nfs/dbraw/zinc/63/60/59/1322636059.db2.gz AAERICKBTNTRCE-RUGGUXRKSA-N 2 1 344.499 3.312 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000922868416 1322636065 /nfs/dbraw/zinc/63/60/65/1322636065.db2.gz AAERICKBTNTRCE-RUGGUXRKSA-N 2 1 344.499 3.312 20 0 EGADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000923489609 1322760361 /nfs/dbraw/zinc/76/03/61/1322760361.db2.gz PWHQGLGHLCDILH-QGZVFWFLSA-N 2 1 329.488 3.023 20 0 EGADMP C[NH+](C)C1(C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)CCCCC1 ZINC000924561075 1323055499 /nfs/dbraw/zinc/05/54/99/1323055499.db2.gz TXAHEOCAJYXZCA-UHFFFAOYSA-N 2 1 339.524 3.144 20 0 EGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccc(OC)cc1 ZINC000924566725 1323056521 /nfs/dbraw/zinc/05/65/21/1323056521.db2.gz GSSWQKMWFVAKDJ-AQDPXUSMSA-N 2 1 332.488 3.378 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001024018686 1323080757 /nfs/dbraw/zinc/08/07/57/1323080757.db2.gz RMOHSYSHVNOHAY-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000924684136 1323111133 /nfs/dbraw/zinc/11/11/33/1323111133.db2.gz BYDRTPTXXSUCLI-ROUUACIJSA-N 2 1 341.503 3.430 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000924684134 1323111293 /nfs/dbraw/zinc/11/12/93/1323111293.db2.gz BYDRTPTXXSUCLI-QZTJIDSGSA-N 2 1 341.503 3.430 20 0 EGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000851939713 1323119480 /nfs/dbraw/zinc/11/94/80/1323119480.db2.gz HYRICTZQQFWWST-RDJZCZTQSA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000851939713 1323119482 /nfs/dbraw/zinc/11/94/82/1323119482.db2.gz HYRICTZQQFWWST-RDJZCZTQSA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000851939713 1323119488 /nfs/dbraw/zinc/11/94/88/1323119488.db2.gz HYRICTZQQFWWST-RDJZCZTQSA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000851939713 1323119491 /nfs/dbraw/zinc/11/94/91/1323119491.db2.gz HYRICTZQQFWWST-RDJZCZTQSA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)CC1 ZINC000924773007 1323154703 /nfs/dbraw/zinc/15/47/03/1323154703.db2.gz HAUWHYKLYUTGLX-FQEVSTJZSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001024188203 1323199075 /nfs/dbraw/zinc/19/90/75/1323199075.db2.gz IDLXZDLUHYRDKY-GOSISDBHSA-N 2 1 346.519 3.025 20 0 EGADMP Cc1nn(C)c(Cl)c1[C@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000852744919 1323234500 /nfs/dbraw/zinc/23/45/00/1323234500.db2.gz LANMYHYYVGISHU-QGZVFWFLSA-N 2 1 344.890 3.365 20 0 EGADMP Cc1noc(C)c1[C@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000925039765 1323253314 /nfs/dbraw/zinc/25/33/14/1323253314.db2.gz ZUVXXZIPTZWKDB-ZDUSSCGKSA-N 2 1 346.475 3.459 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCC(C)(C)CC1 ZINC001024366391 1323340352 /nfs/dbraw/zinc/34/03/52/1323340352.db2.gz RCRGZOICLODPQA-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001024366391 1323340360 /nfs/dbraw/zinc/34/03/60/1323340360.db2.gz RCRGZOICLODPQA-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCC(C)(C)CC1 ZINC001024366391 1323340367 /nfs/dbraw/zinc/34/03/67/1323340367.db2.gz RCRGZOICLODPQA-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479215 1323433313 /nfs/dbraw/zinc/43/33/13/1323433313.db2.gz BZQSQKSAXOIFPE-IRXDYDNUSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479215 1323433315 /nfs/dbraw/zinc/43/33/15/1323433315.db2.gz BZQSQKSAXOIFPE-IRXDYDNUSA-N 2 1 346.519 3.167 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCCC1 ZINC001024514134 1323463526 /nfs/dbraw/zinc/46/35/26/1323463526.db2.gz VZDHYAXRVKKPQV-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCCC1 ZINC001024514134 1323463530 /nfs/dbraw/zinc/46/35/30/1323463530.db2.gz VZDHYAXRVKKPQV-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCCC1 ZINC001024514134 1323463537 /nfs/dbraw/zinc/46/35/37/1323463537.db2.gz VZDHYAXRVKKPQV-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024692583 1323609482 /nfs/dbraw/zinc/60/94/82/1323609482.db2.gz PDIPITZFBGLUAJ-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001024692583 1323609489 /nfs/dbraw/zinc/60/94/89/1323609489.db2.gz PDIPITZFBGLUAJ-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001024692583 1323609494 /nfs/dbraw/zinc/60/94/94/1323609494.db2.gz PDIPITZFBGLUAJ-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711278 1323618626 /nfs/dbraw/zinc/61/86/26/1323618626.db2.gz IPNVLHURFZIHPW-MOPGFXCFSA-N 2 1 349.494 3.081 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCC2CCCCCC2)C1 ZINC001024803285 1323705622 /nfs/dbraw/zinc/70/56/22/1323705622.db2.gz GQZAPERIPOKGFC-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCC2CCCCCC2)C1 ZINC001024803285 1323705626 /nfs/dbraw/zinc/70/56/26/1323705626.db2.gz GQZAPERIPOKGFC-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCC2CCCCCC2)C1 ZINC001024803285 1323705630 /nfs/dbraw/zinc/70/56/30/1323705630.db2.gz GQZAPERIPOKGFC-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CCCC[N@@H+]2C)cs1 ZINC001025003662 1323821735 /nfs/dbraw/zinc/82/17/35/1323821735.db2.gz XCIWOJQOBKTTCK-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2ccccc21)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432003 1329116309 /nfs/dbraw/zinc/11/63/09/1329116309.db2.gz SXJBTLIKISGTHI-RYQLBKOJSA-N 2 1 337.467 3.050 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432003 1329116310 /nfs/dbraw/zinc/11/63/10/1329116310.db2.gz SXJBTLIKISGTHI-RYQLBKOJSA-N 2 1 337.467 3.050 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432003 1329116312 /nfs/dbraw/zinc/11/63/12/1329116312.db2.gz SXJBTLIKISGTHI-RYQLBKOJSA-N 2 1 337.467 3.050 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432003 1329116313 /nfs/dbraw/zinc/11/63/13/1329116313.db2.gz SXJBTLIKISGTHI-RYQLBKOJSA-N 2 1 337.467 3.050 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432003 1329116315 /nfs/dbraw/zinc/11/63/15/1329116315.db2.gz SXJBTLIKISGTHI-RYQLBKOJSA-N 2 1 337.467 3.050 20 0 EGADMP CC(C)[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001025056622 1323860456 /nfs/dbraw/zinc/86/04/56/1323860456.db2.gz QFINVLWBQWJFDT-MOPGFXCFSA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC1 ZINC001025137197 1323913847 /nfs/dbraw/zinc/91/38/47/1323913847.db2.gz VXVRTFSLPNRFAC-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(N1CCCC[C@@H]1C[NH2+]CC1CCCCC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001025150348 1323923834 /nfs/dbraw/zinc/92/38/34/1323923834.db2.gz QLSCCOHQCYNETM-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+]1CCC1CC1)C1CCC1 ZINC001025240336 1324033619 /nfs/dbraw/zinc/03/36/19/1324033619.db2.gz NMSRAECHGVPIIT-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CCC1CC1)C1CCC1 ZINC001025240336 1324033626 /nfs/dbraw/zinc/03/36/26/1324033626.db2.gz NMSRAECHGVPIIT-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+]1CCC1CC1)C1CCC1 ZINC001025240336 1324033630 /nfs/dbraw/zinc/03/36/30/1324033630.db2.gz NMSRAECHGVPIIT-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001025431951 1324268069 /nfs/dbraw/zinc/26/80/69/1324268069.db2.gz DYAPUTUEUKRFME-ZBFHGGJFSA-N 2 1 349.544 3.050 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025431602 1324268875 /nfs/dbraw/zinc/26/88/75/1324268875.db2.gz BKXUOMHSVUWKOZ-CABCVRRESA-N 2 1 337.533 3.048 20 0 EGADMP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001025527574 1324372371 /nfs/dbraw/zinc/37/23/71/1324372371.db2.gz YJRSMBDWEKRHRR-XLIONFOSSA-N 2 1 349.563 3.125 20 0 EGADMP COC(=O)[C@H]1CCCC[C@H]1C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000931748045 1329176703 /nfs/dbraw/zinc/17/67/03/1329176703.db2.gz HOGFWYLTNNEWQB-IRXDYDNUSA-N 2 1 333.476 3.185 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001026465268 1324825270 /nfs/dbraw/zinc/82/52/70/1324825270.db2.gz NVFXNDZRDIJRDW-CTWPCTMYSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CCC([NH2+]CC3CCCCCC3)CC2)C1 ZINC001026560820 1324896559 /nfs/dbraw/zinc/89/65/59/1324896559.db2.gz FZGIXSPLQXVLKF-QHGAOEGBSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCC2)CC1 ZINC001026572040 1324904760 /nfs/dbraw/zinc/90/47/60/1324904760.db2.gz ZNXGINGKMSHYJS-CTWPCTMYSA-N 2 1 335.536 3.066 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2ccccc2[nH]1 ZINC000925133649 1325059314 /nfs/dbraw/zinc/05/93/14/1325059314.db2.gz QAYVFMQVURWPFP-JTSKRJEESA-N 2 1 349.478 3.456 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2ccccc2[nH]1 ZINC000925133649 1325059325 /nfs/dbraw/zinc/05/93/25/1325059325.db2.gz QAYVFMQVURWPFP-JTSKRJEESA-N 2 1 349.478 3.456 20 0 EGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2ccccc2[nH]1 ZINC000925133645 1325059446 /nfs/dbraw/zinc/05/94/46/1325059446.db2.gz QAYVFMQVURWPFP-HTAPYJJXSA-N 2 1 349.478 3.456 20 0 EGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2ccccc2[nH]1 ZINC000925133645 1325059453 /nfs/dbraw/zinc/05/94/53/1325059453.db2.gz QAYVFMQVURWPFP-HTAPYJJXSA-N 2 1 349.478 3.456 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360723 1325157890 /nfs/dbraw/zinc/15/78/90/1325157890.db2.gz OJELIGNURYNHKK-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963360723 1325157897 /nfs/dbraw/zinc/15/78/97/1325157897.db2.gz OJELIGNURYNHKK-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963360723 1325157901 /nfs/dbraw/zinc/15/79/01/1325157901.db2.gz OJELIGNURYNHKK-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cn1 ZINC000925484000 1325171324 /nfs/dbraw/zinc/17/13/24/1325171324.db2.gz BIWPSFIVZHRRIY-IBGZPJMESA-N 3 1 335.455 3.146 20 0 EGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)C12CCC2 ZINC000925710511 1325267410 /nfs/dbraw/zinc/26/74/10/1325267410.db2.gz LPLGRAMXIPTODC-DLBZAZTESA-N 2 1 327.403 3.373 20 0 EGADMP FC(F)(F)c1ccncc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925715713 1325268504 /nfs/dbraw/zinc/26/85/04/1325268504.db2.gz GWDKNINVJAZWLN-ZBFHGGJFSA-N 2 1 327.394 3.358 20 0 EGADMP C[C@H]1C[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000925843798 1325325093 /nfs/dbraw/zinc/32/50/93/1325325093.db2.gz PGIPLHSJWPYFLY-MJUUVYJYSA-N 2 1 327.516 3.161 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC[N@@H+]1Cc1ccccc1 ZINC000925843798 1325325098 /nfs/dbraw/zinc/32/50/98/1325325098.db2.gz PGIPLHSJWPYFLY-MJUUVYJYSA-N 3 1 327.516 3.161 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000925843798 1325325104 /nfs/dbraw/zinc/32/51/04/1325325104.db2.gz PGIPLHSJWPYFLY-MJUUVYJYSA-N 3 1 327.516 3.161 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CCN1Cc1ccccc1 ZINC000925843798 1325325112 /nfs/dbraw/zinc/32/51/12/1325325112.db2.gz PGIPLHSJWPYFLY-MJUUVYJYSA-N 2 1 327.516 3.161 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C1CCC([NH2+]CC2CCC2)CC1 ZINC000963954930 1325449927 /nfs/dbraw/zinc/44/99/27/1325449927.db2.gz GIKZPTAETKALFY-UHFFFAOYSA-N 2 1 346.519 3.166 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCC)CC1 ZINC000964151806 1325482907 /nfs/dbraw/zinc/48/29/07/1325482907.db2.gz DVTATPPSNSKEPH-ACBHZAAOSA-N 2 1 337.552 3.410 20 0 EGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000856930482 1325542313 /nfs/dbraw/zinc/54/23/13/1325542313.db2.gz WNIIOAGNOVQGCS-XLIONFOSSA-N 2 1 343.515 3.100 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1nc(Br)ccc1F ZINC000926572671 1327619730 /nfs/dbraw/zinc/61/97/30/1327619730.db2.gz GSRNJAZAWYPHCY-VXGBXAGGSA-N 2 1 344.272 3.366 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1nc(Br)ccc1F ZINC000926572669 1327620328 /nfs/dbraw/zinc/62/03/28/1327620328.db2.gz GSRNJAZAWYPHCY-NWDGAFQWSA-N 2 1 344.272 3.366 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cnnn1-c1ccccc1 ZINC000926739137 1327692257 /nfs/dbraw/zinc/69/22/57/1327692257.db2.gz OOUHOCMRQMUZLV-WMZOPIPTSA-N 2 1 339.487 3.040 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cnnn1-c1ccccc1 ZINC000926739137 1327692265 /nfs/dbraw/zinc/69/22/65/1327692265.db2.gz OOUHOCMRQMUZLV-WMZOPIPTSA-N 2 1 339.487 3.040 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CC3CCCC3)C2)C1 ZINC001027542383 1327843982 /nfs/dbraw/zinc/84/39/82/1327843982.db2.gz KWZAHCDFSUGXGY-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)CC3CCCC3)C2)C1 ZINC001027542383 1327843993 /nfs/dbraw/zinc/84/39/93/1327843993.db2.gz KWZAHCDFSUGXGY-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)CC3CCCC3)C2)C1 ZINC001027542383 1327844002 /nfs/dbraw/zinc/84/40/02/1327844002.db2.gz KWZAHCDFSUGXGY-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542071 1327844822 /nfs/dbraw/zinc/84/48/22/1327844822.db2.gz HPPLREADBGSORO-RBUKOAKNSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027542071 1327844830 /nfs/dbraw/zinc/84/48/30/1327844830.db2.gz HPPLREADBGSORO-RBUKOAKNSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027542071 1327844838 /nfs/dbraw/zinc/84/48/38/1327844838.db2.gz HPPLREADBGSORO-RBUKOAKNSA-N 2 1 335.536 3.115 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CC3CC(C)(C)C3)C2)CC[N@H+]1C ZINC001027547452 1327851201 /nfs/dbraw/zinc/85/12/01/1327851201.db2.gz SFTJNZUZUYDAST-YTQUADARSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)CC3CC(C)(C)C3)C2)CC[NH+]1C ZINC001027547452 1327851209 /nfs/dbraw/zinc/85/12/09/1327851209.db2.gz SFTJNZUZUYDAST-YTQUADARSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)CC3CC(C)(C)C3)C2)CC[NH+]1C ZINC001027547452 1327851212 /nfs/dbraw/zinc/85/12/12/1327851212.db2.gz SFTJNZUZUYDAST-YTQUADARSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001027579025 1327912546 /nfs/dbraw/zinc/91/25/46/1327912546.db2.gz AFEVXGRZTDTOQY-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCCC2)C1)[NH+](C)C ZINC001027578532 1327915100 /nfs/dbraw/zinc/91/51/00/1327915100.db2.gz MZQFTZHLEAOWCV-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)CCC3CC3)C2)cc1 ZINC001027615300 1327978696 /nfs/dbraw/zinc/97/86/96/1327978696.db2.gz SBLRJIPLJNRKND-HXUWFJFHSA-N 2 1 343.515 3.085 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC(C)C)C1 ZINC001027646151 1328021983 /nfs/dbraw/zinc/02/19/83/1328021983.db2.gz CSWAUWCQRLCHFB-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CC(C)C)C1 ZINC001027646151 1328021991 /nfs/dbraw/zinc/02/19/91/1328021991.db2.gz CSWAUWCQRLCHFB-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC(C)C)C1 ZINC001027646151 1328021997 /nfs/dbraw/zinc/02/19/97/1328021997.db2.gz CSWAUWCQRLCHFB-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027693497 1328098624 /nfs/dbraw/zinc/09/86/24/1328098624.db2.gz CMPLFWCLUSQNRC-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001027693497 1328098633 /nfs/dbraw/zinc/09/86/33/1328098633.db2.gz CMPLFWCLUSQNRC-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001027693497 1328098637 /nfs/dbraw/zinc/09/86/37/1328098637.db2.gz CMPLFWCLUSQNRC-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027879200 1328343966 /nfs/dbraw/zinc/34/39/66/1328343966.db2.gz PAJBKDISWUMJFL-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001027879200 1328343971 /nfs/dbraw/zinc/34/39/71/1328343971.db2.gz PAJBKDISWUMJFL-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001027879200 1328343979 /nfs/dbraw/zinc/34/39/79/1328343979.db2.gz PAJBKDISWUMJFL-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885216 1328351799 /nfs/dbraw/zinc/35/17/99/1328351799.db2.gz BNMDCHOKDBSDDD-AZUAARDMSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885216 1328351809 /nfs/dbraw/zinc/35/18/09/1328351809.db2.gz BNMDCHOKDBSDDD-AZUAARDMSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885216 1328351817 /nfs/dbraw/zinc/35/18/17/1328351817.db2.gz BNMDCHOKDBSDDD-AZUAARDMSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885486 1328354173 /nfs/dbraw/zinc/35/41/73/1328354173.db2.gz FKZJQJIEAHRHAU-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885486 1328354183 /nfs/dbraw/zinc/35/41/83/1328354183.db2.gz FKZJQJIEAHRHAU-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885486 1328354194 /nfs/dbraw/zinc/35/41/94/1328354194.db2.gz FKZJQJIEAHRHAU-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001027919605 1328396153 /nfs/dbraw/zinc/39/61/53/1328396153.db2.gz YOLIMBFFBOWCTF-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001027919605 1328396163 /nfs/dbraw/zinc/39/61/63/1328396163.db2.gz YOLIMBFFBOWCTF-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CC2(CCC2)C1 ZINC001027919605 1328396172 /nfs/dbraw/zinc/39/61/72/1328396172.db2.gz YOLIMBFFBOWCTF-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027918446 1328397363 /nfs/dbraw/zinc/39/73/63/1328397363.db2.gz NPNUVZMAANHHRT-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC001027918446 1328397370 /nfs/dbraw/zinc/39/73/70/1328397370.db2.gz NPNUVZMAANHHRT-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCCC1 ZINC001027918446 1328397378 /nfs/dbraw/zinc/39/73/78/1328397378.db2.gz NPNUVZMAANHHRT-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001027924468 1328403126 /nfs/dbraw/zinc/40/31/26/1328403126.db2.gz JRNFMWZGTUWYGG-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001027924468 1328403131 /nfs/dbraw/zinc/40/31/31/1328403131.db2.gz JRNFMWZGTUWYGG-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001027924468 1328403133 /nfs/dbraw/zinc/40/31/33/1328403133.db2.gz JRNFMWZGTUWYGG-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCCC1)C12CCC[NH+]1CCC2 ZINC001027991595 1328459121 /nfs/dbraw/zinc/45/91/21/1328459121.db2.gz HBQWLASUHVTYRA-LJQANCHMSA-N 2 1 347.547 3.166 20 0 EGADMP Cn1cc(C[NH2+]CC(C)(C)C[NH+](C)C)c(-c2cc(F)ccc2F)n1 ZINC000865397917 1329691694 /nfs/dbraw/zinc/69/16/94/1329691694.db2.gz OUJMUPQRTFXUIT-UHFFFAOYSA-N 2 1 336.430 3.043 20 0 EGADMP CS[C@H]1CN(c2cc[nH+]cc2C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000865685297 1329729141 /nfs/dbraw/zinc/72/91/41/1329729141.db2.gz FVIJNPMRGJHEBP-KBPBESRZSA-N 2 1 331.407 3.116 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000865713616 1329731629 /nfs/dbraw/zinc/73/16/29/1329731629.db2.gz YNSLDYORASTPLY-WKILWMFISA-N 2 1 348.491 3.073 20 0 EGADMP O[C@H](CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCCC1 ZINC000865876460 1329747878 /nfs/dbraw/zinc/74/78/78/1329747878.db2.gz KIKXHOIJUZLIHF-OAQYLSRUSA-N 2 1 348.506 3.363 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)CC[NH2+]C(C)(C)C)[C@H]1c1cccs1 ZINC000933458280 1329890957 /nfs/dbraw/zinc/89/09/57/1329890957.db2.gz ZLOJDMPLKWFUTK-PBHICJAKSA-N 2 1 337.533 3.025 20 0 EGADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000934947114 1330019445 /nfs/dbraw/zinc/01/94/45/1330019445.db2.gz GBEFJQFETHHFFQ-IBGZPJMESA-N 2 1 329.488 3.402 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000866413409 1330108717 /nfs/dbraw/zinc/10/87/17/1330108717.db2.gz QXAFUTAGILCCTP-HOJAQTOUSA-N 2 1 328.500 3.303 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000866466979 1330116024 /nfs/dbraw/zinc/11/60/24/1330116024.db2.gz QGYFMUKGXBLUBK-VQHPVUNQSA-N 2 1 339.524 3.142 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3c(Cl)cncc3Cl)C2)C1 ZINC000866667638 1330139578 /nfs/dbraw/zinc/13/95/78/1330139578.db2.gz TUDSGQWQMAIKAR-HSMVNMDESA-N 2 1 344.286 3.107 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3c(Cl)cncc3Cl)C2)C1 ZINC000866667638 1330139579 /nfs/dbraw/zinc/13/95/79/1330139579.db2.gz TUDSGQWQMAIKAR-HSMVNMDESA-N 2 1 344.286 3.107 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940854173 1331222171 /nfs/dbraw/zinc/22/21/71/1331222171.db2.gz YHOBOXHNRVXPMC-SFHVURJKSA-N 2 1 342.487 3.273 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCC3CCC3)CC2(C)C)CC1 ZINC000941001840 1331290640 /nfs/dbraw/zinc/29/06/40/1331290640.db2.gz AJQBJQHHIOFOMG-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942530485 1331959013 /nfs/dbraw/zinc/95/90/13/1331959013.db2.gz SLCSHNJFVRHUEA-XLIONFOSSA-N 2 1 345.531 3.031 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC000942581350 1331988001 /nfs/dbraw/zinc/98/80/01/1331988001.db2.gz FNLKKLLRGLVSAC-NVXWUHKLSA-N 2 1 349.519 3.218 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596789 1331995810 /nfs/dbraw/zinc/99/58/10/1331995810.db2.gz GFDYNXIEXYFIHA-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[N@@H+](CC2CCCCC2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821121 1332042327 /nfs/dbraw/zinc/04/23/27/1332042327.db2.gz BSXIIMKUCUXFOA-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[NH+](CC2CCCCC2)CC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821121 1332042329 /nfs/dbraw/zinc/04/23/29/1332042329.db2.gz BSXIIMKUCUXFOA-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[NH+](CC2CCCCC2)CC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821121 1332042330 /nfs/dbraw/zinc/04/23/30/1332042330.db2.gz BSXIIMKUCUXFOA-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586277 1332858208 /nfs/dbraw/zinc/85/82/08/1332858208.db2.gz ASKOUKNPLOIFBD-HAGHYFMRSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586277 1332858211 /nfs/dbraw/zinc/85/82/11/1332858211.db2.gz ASKOUKNPLOIFBD-HAGHYFMRSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586277 1332858213 /nfs/dbraw/zinc/85/82/13/1332858213.db2.gz ASKOUKNPLOIFBD-HAGHYFMRSA-N 2 1 349.563 3.076 20 0 EGADMP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657396 1332871974 /nfs/dbraw/zinc/87/19/74/1332871974.db2.gz JDMMUHILWOPSIC-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657396 1332871976 /nfs/dbraw/zinc/87/19/76/1332871976.db2.gz JDMMUHILWOPSIC-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657396 1332871978 /nfs/dbraw/zinc/87/19/78/1332871978.db2.gz JDMMUHILWOPSIC-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947361224 1333103002 /nfs/dbraw/zinc/10/30/02/1333103002.db2.gz MRWFNOKKEJETHW-GDBMZVCRSA-N 2 1 337.533 3.048 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1CCCCC1 ZINC000947614861 1333193316 /nfs/dbraw/zinc/19/33/16/1333193316.db2.gz AZEWFQVELMHATN-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CCCC1CCC1 ZINC000947617394 1333193641 /nfs/dbraw/zinc/19/36/41/1333193641.db2.gz YBCMDNJKBBTAFB-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC1CCCCC1 ZINC000947775572 1333257513 /nfs/dbraw/zinc/25/75/13/1333257513.db2.gz PFJGMIUGZBCYRT-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CC3CCCCC3)[C@H](C)C2)CC1 ZINC000947851867 1333280005 /nfs/dbraw/zinc/28/00/05/1333280005.db2.gz BIPLKEOALWLFSY-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCCC1CCCC1 ZINC000948040643 1333350061 /nfs/dbraw/zinc/35/00/61/1333350061.db2.gz REBYIOSNDNDIKZ-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC000948246640 1333440050 /nfs/dbraw/zinc/44/00/50/1333440050.db2.gz ZGRZIKIISJGYHJ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC000948246640 1333440054 /nfs/dbraw/zinc/44/00/54/1333440054.db2.gz ZGRZIKIISJGYHJ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC000948246640 1333440055 /nfs/dbraw/zinc/44/00/55/1333440055.db2.gz ZGRZIKIISJGYHJ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473560 1333539508 /nfs/dbraw/zinc/53/95/08/1333539508.db2.gz HZWXJITWZRRNJQ-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@H](F)C[N@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948621472 1333600384 /nfs/dbraw/zinc/60/03/84/1333600384.db2.gz QOLXMJMISZRTFN-IRXDYDNUSA-N 2 1 346.450 3.009 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726378 1333648586 /nfs/dbraw/zinc/64/85/86/1333648586.db2.gz PIFVQGXNTBGMRB-SFHVURJKSA-N 2 1 349.519 3.314 20 0 EGADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948770678 1333671057 /nfs/dbraw/zinc/67/10/57/1333671057.db2.gz KEUKYQLENLQTHE-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC000948770678 1333671060 /nfs/dbraw/zinc/67/10/60/1333671060.db2.gz KEUKYQLENLQTHE-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC000948770678 1333671064 /nfs/dbraw/zinc/67/10/64/1333671064.db2.gz KEUKYQLENLQTHE-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC000948775482 1333674179 /nfs/dbraw/zinc/67/41/79/1333674179.db2.gz JOFPUYMYSFJXQU-PKOBYXMFSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC000948775482 1333674180 /nfs/dbraw/zinc/67/41/80/1333674180.db2.gz JOFPUYMYSFJXQU-PKOBYXMFSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000948775482 1333674181 /nfs/dbraw/zinc/67/41/81/1333674181.db2.gz JOFPUYMYSFJXQU-PKOBYXMFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000948936365 1333740489 /nfs/dbraw/zinc/74/04/89/1333740489.db2.gz ORSKCGOVBLIHII-HXUWFJFHSA-N 2 1 348.450 3.074 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](CC3CCC(C)CC3)CC2)C1 ZINC000949800882 1333926657 /nfs/dbraw/zinc/92/66/57/1333926657.db2.gz MDAKCXBDMISXIY-SOAGJPPSSA-N 2 1 349.563 3.079 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1C[NH+](CCC2=CCCCC2)C1 ZINC000951380560 1334234849 /nfs/dbraw/zinc/23/48/49/1334234849.db2.gz VLPUPVHWBUKBLP-HKUYNNGSSA-N 2 1 347.547 3.140 20 0 EGADMP O=C([C@@H]1CCC[C@@H]2CCC[N@H+]21)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000951628646 1334281499 /nfs/dbraw/zinc/28/14/99/1334281499.db2.gz YEPKHJKMVGBLPP-UXHICEINSA-N 2 1 347.547 3.118 20 0 EGADMP C[C@H]1CC[N@@H+](CCC2CCCCCC2)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000968647287 1335995948 /nfs/dbraw/zinc/99/59/48/1335995948.db2.gz JYGKEJIWKDRQBA-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC2CC(C)(C)C2)CC[N@H+]1C ZINC000968863935 1336072251 /nfs/dbraw/zinc/07/22/51/1336072251.db2.gz NFANHZKEEDUDDP-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC2CC(C)(C)C2)CC[NH+]1C ZINC000968863935 1336072252 /nfs/dbraw/zinc/07/22/52/1336072252.db2.gz NFANHZKEEDUDDP-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC2CC(C)(C)C2)CC[NH+]1C ZINC000968863935 1336072255 /nfs/dbraw/zinc/07/22/55/1336072255.db2.gz NFANHZKEEDUDDP-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC=C(C)C ZINC000968882189 1336078203 /nfs/dbraw/zinc/07/82/03/1336078203.db2.gz JFJWPGRVNCHEPT-OALUTQOASA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC=C(C)C ZINC000968882189 1336078204 /nfs/dbraw/zinc/07/82/04/1336078204.db2.gz JFJWPGRVNCHEPT-OALUTQOASA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC=C(C)C ZINC000968882189 1336078207 /nfs/dbraw/zinc/07/82/07/1336078207.db2.gz JFJWPGRVNCHEPT-OALUTQOASA-N 2 1 335.536 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCC1 ZINC000968882513 1336078747 /nfs/dbraw/zinc/07/87/47/1336078747.db2.gz PFZHEXYQXCTQSV-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCC1 ZINC000968882513 1336078749 /nfs/dbraw/zinc/07/87/49/1336078749.db2.gz PFZHEXYQXCTQSV-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCC1 ZINC000968882513 1336078754 /nfs/dbraw/zinc/07/87/54/1336078754.db2.gz PFZHEXYQXCTQSV-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCC2CC2)C1 ZINC000968888271 1336080717 /nfs/dbraw/zinc/08/07/17/1336080717.db2.gz SBENWQCHUUHAKA-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC2CC2)C1 ZINC000968888271 1336080720 /nfs/dbraw/zinc/08/07/20/1336080720.db2.gz SBENWQCHUUHAKA-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CCC2CC2)C1 ZINC000968888271 1336080723 /nfs/dbraw/zinc/08/07/23/1336080723.db2.gz SBENWQCHUUHAKA-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000968915952 1336087491 /nfs/dbraw/zinc/08/74/91/1336087491.db2.gz UFBHPSRCRCJFHX-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCCC1CCC1 ZINC000968920240 1336089322 /nfs/dbraw/zinc/08/93/22/1336089322.db2.gz RWPXELZFEXCKCJ-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCCC1CCC1 ZINC000968920240 1336089327 /nfs/dbraw/zinc/08/93/27/1336089327.db2.gz RWPXELZFEXCKCJ-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCCC1CCC1 ZINC000968920240 1336089331 /nfs/dbraw/zinc/08/93/31/1336089331.db2.gz RWPXELZFEXCKCJ-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ccc(Cl)cc1 ZINC000968921755 1336089677 /nfs/dbraw/zinc/08/96/77/1336089677.db2.gz IJEPYLOPICLKAG-RHSMWYFYSA-N 2 1 349.906 3.076 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1 ZINC000968928513 1336092774 /nfs/dbraw/zinc/09/27/74/1336092774.db2.gz MWUKCUMPGJFCKK-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CC1 ZINC000968928513 1336092778 /nfs/dbraw/zinc/09/27/78/1336092778.db2.gz MWUKCUMPGJFCKK-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCC1CC1 ZINC000968928513 1336092781 /nfs/dbraw/zinc/09/27/81/1336092781.db2.gz MWUKCUMPGJFCKK-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005646 1336116013 /nfs/dbraw/zinc/11/60/13/1336116013.db2.gz ZENKYJDMBVRHPH-FUHWJXTLSA-N 2 1 349.519 3.362 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005646 1336116016 /nfs/dbraw/zinc/11/60/16/1336116016.db2.gz ZENKYJDMBVRHPH-FUHWJXTLSA-N 2 1 349.519 3.362 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CC2=CCCCC2)CC1 ZINC000969013674 1336118422 /nfs/dbraw/zinc/11/84/22/1336118422.db2.gz CUETYEANWUSJRX-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP O=C(NC[C@@H]1CCCCC[N@H+]1CCC1CCCC1)C12CC[NH+](CC1)C2 ZINC000969118320 1336150287 /nfs/dbraw/zinc/15/02/87/1336150287.db2.gz LNFCVJAZPRJRIT-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCCC2CCCC2)C1 ZINC000969144827 1336161298 /nfs/dbraw/zinc/16/12/98/1336161298.db2.gz UUQUSHZRFQTVDF-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CCCC2CCCC2)C1 ZINC000969144827 1336161300 /nfs/dbraw/zinc/16/13/00/1336161300.db2.gz UUQUSHZRFQTVDF-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CCCC2CCCC2)C1 ZINC000969144827 1336161303 /nfs/dbraw/zinc/16/13/03/1336161303.db2.gz UUQUSHZRFQTVDF-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CC1 ZINC000969156302 1336166134 /nfs/dbraw/zinc/16/61/34/1336166134.db2.gz PAQVLHBBLLZANW-IBGZPJMESA-N 2 1 343.515 3.133 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000969594980 1336226480 /nfs/dbraw/zinc/22/64/80/1336226480.db2.gz DIZLJVHHZITYGK-FGTMMUONSA-N 2 1 349.906 3.076 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1)c1ccccc1 ZINC000969954507 1336265214 /nfs/dbraw/zinc/26/52/14/1336265214.db2.gz FLRKRZUJKJPGGP-MOPGFXCFSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC000970029156 1336272869 /nfs/dbraw/zinc/27/28/69/1336272869.db2.gz XUNILWIIEYUSNC-PXNSSMCTSA-N 2 1 349.563 3.124 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001005504533 1336363500 /nfs/dbraw/zinc/36/35/00/1336363500.db2.gz UOFMVQLJUGIHBW-FQEVSTJZSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001005592459 1336377093 /nfs/dbraw/zinc/37/70/93/1336377093.db2.gz MVCNAGKKWZYLFD-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001006294650 1336485328 /nfs/dbraw/zinc/48/53/28/1336485328.db2.gz NZCCRVCDABBYSD-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007501308 1336658676 /nfs/dbraw/zinc/65/86/76/1336658676.db2.gz XKARZDPLYRQTCD-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001007501308 1336658680 /nfs/dbraw/zinc/65/86/80/1336658680.db2.gz XKARZDPLYRQTCD-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001007501308 1336658684 /nfs/dbraw/zinc/65/86/84/1336658684.db2.gz XKARZDPLYRQTCD-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2ccc(Br)cc2[nH]1 ZINC001205902281 1370905104 /nfs/dbraw/zinc/90/51/04/1370905104.db2.gz JMSILPDTILNFLZ-WCQYABFASA-N 2 1 336.277 3.490 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001008164964 1336782886 /nfs/dbraw/zinc/78/28/86/1336782886.db2.gz VGQACYSLIHCCKU-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008274816 1336811697 /nfs/dbraw/zinc/81/16/97/1336811697.db2.gz GMMFSUBYBJIMJW-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008274816 1336811699 /nfs/dbraw/zinc/81/16/99/1336811699.db2.gz GMMFSUBYBJIMJW-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008274816 1336811700 /nfs/dbraw/zinc/81/17/00/1336811700.db2.gz GMMFSUBYBJIMJW-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](CCCC3CCC3)C2)C1 ZINC001008282680 1336814122 /nfs/dbraw/zinc/81/41/22/1336814122.db2.gz YRVJFBPSQAUNKC-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@H+](CCCC3CCC3)C2)C1 ZINC001008282680 1336814125 /nfs/dbraw/zinc/81/41/25/1336814125.db2.gz YRVJFBPSQAUNKC-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCCC3CCC3)C2)C1 ZINC001008282680 1336814127 /nfs/dbraw/zinc/81/41/27/1336814127.db2.gz YRVJFBPSQAUNKC-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001008529236 1336876636 /nfs/dbraw/zinc/87/66/36/1336876636.db2.gz DVBZTZQOHUVQMP-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001008529236 1336876638 /nfs/dbraw/zinc/87/66/38/1336876638.db2.gz DVBZTZQOHUVQMP-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001008529236 1336876639 /nfs/dbraw/zinc/87/66/39/1336876639.db2.gz DVBZTZQOHUVQMP-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC001008762657 1336922337 /nfs/dbraw/zinc/92/23/37/1336922337.db2.gz VSZPZZMWDWRAQB-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001008978131 1336951529 /nfs/dbraw/zinc/95/15/29/1336951529.db2.gz DNEYEUZJTBCLFE-AZUAARDMSA-N 2 1 343.515 3.060 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009143472 1336975799 /nfs/dbraw/zinc/97/57/99/1336975799.db2.gz HMTIIFOHYNWGER-HXUWFJFHSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001009164954 1336979961 /nfs/dbraw/zinc/97/99/61/1336979961.db2.gz BHASCLSPEJPMBM-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001009164954 1336979963 /nfs/dbraw/zinc/97/99/63/1336979963.db2.gz BHASCLSPEJPMBM-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001009164954 1336979965 /nfs/dbraw/zinc/97/99/65/1336979965.db2.gz BHASCLSPEJPMBM-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001009633949 1337050716 /nfs/dbraw/zinc/05/07/16/1337050716.db2.gz HJRWBTUDLRDNMW-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001009633949 1337050720 /nfs/dbraw/zinc/05/07/20/1337050720.db2.gz HJRWBTUDLRDNMW-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001009633949 1337050724 /nfs/dbraw/zinc/05/07/24/1337050724.db2.gz HJRWBTUDLRDNMW-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC3CCC3)C2)o1 ZINC001009682419 1337059426 /nfs/dbraw/zinc/05/94/26/1337059426.db2.gz NQQLUQMMEGUKLX-KRWDZBQOSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001014399112 1337766846 /nfs/dbraw/zinc/76/68/46/1337766846.db2.gz BQTXJYHUJWSTGF-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001014399112 1337766849 /nfs/dbraw/zinc/76/68/49/1337766849.db2.gz BQTXJYHUJWSTGF-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001014399112 1337766852 /nfs/dbraw/zinc/76/68/52/1337766852.db2.gz BQTXJYHUJWSTGF-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001014429474 1337775655 /nfs/dbraw/zinc/77/56/55/1337775655.db2.gz YOUYZGPWIUUNTH-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014631958 1337853907 /nfs/dbraw/zinc/85/39/07/1337853907.db2.gz PTLKFYWKLGMCQR-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001014631958 1337853909 /nfs/dbraw/zinc/85/39/09/1337853909.db2.gz PTLKFYWKLGMCQR-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001014631958 1337853912 /nfs/dbraw/zinc/85/39/12/1337853912.db2.gz PTLKFYWKLGMCQR-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001015114471 1338023451 /nfs/dbraw/zinc/02/34/51/1338023451.db2.gz PKUCSQVFFYURGM-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015895721 1338351656 /nfs/dbraw/zinc/35/16/56/1338351656.db2.gz AFYAEWHFLABYJH-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001015974029 1338387479 /nfs/dbraw/zinc/38/74/79/1338387479.db2.gz WTZVCOCBTDPZGD-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001015974029 1338387484 /nfs/dbraw/zinc/38/74/84/1338387484.db2.gz WTZVCOCBTDPZGD-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001015974029 1338387489 /nfs/dbraw/zinc/38/74/89/1338387489.db2.gz WTZVCOCBTDPZGD-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016610920 1338662914 /nfs/dbraw/zinc/66/29/14/1338662914.db2.gz AEIXYDLATSZLHZ-MSOLQXFVSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016651418 1338679190 /nfs/dbraw/zinc/67/91/90/1338679190.db2.gz HHWNPHCNNVZGPO-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016660786 1338682597 /nfs/dbraw/zinc/68/25/97/1338682597.db2.gz BHIORCLZNDRQNH-MOPGFXCFSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001016788527 1338727606 /nfs/dbraw/zinc/72/76/06/1338727606.db2.gz ZPPTZAYYRVKTRU-RBUKOAKNSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001017208441 1338955199 /nfs/dbraw/zinc/95/51/99/1338955199.db2.gz HHJUHRPGZQPWMR-ZWKOTPCHSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001017208441 1338955202 /nfs/dbraw/zinc/95/52/02/1338955202.db2.gz HHJUHRPGZQPWMR-ZWKOTPCHSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001017208441 1338955205 /nfs/dbraw/zinc/95/52/05/1338955205.db2.gz HHJUHRPGZQPWMR-ZWKOTPCHSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccc(C)cc2)C1)[NH+](C)C ZINC001017211829 1338956684 /nfs/dbraw/zinc/95/66/84/1338956684.db2.gz LUBWFFNXDJPNDJ-UXHICEINSA-N 2 1 345.531 3.006 20 0 EGADMP CC(C)(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001017555646 1339366818 /nfs/dbraw/zinc/36/68/18/1339366818.db2.gz RVDPFQZAZCIQNU-HDICACEKSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001018838268 1339736670 /nfs/dbraw/zinc/73/66/70/1339736670.db2.gz WXYXDVQGGRMNLR-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC2=CCCCC2)CC1 ZINC001028235100 1340497528 /nfs/dbraw/zinc/49/75/28/1340497528.db2.gz PYLNGNCOIQGWSO-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343014 1340582725 /nfs/dbraw/zinc/58/27/25/1340582725.db2.gz KBVBKXCTTVDEKV-SJORKVTESA-N 2 1 349.519 3.362 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001028692922 1340761474 /nfs/dbraw/zinc/76/14/74/1340761474.db2.gz DRCQSLJOTBEASQ-IAGOWNOFSA-N 2 1 348.450 3.147 20 0 EGADMP CCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755056 1340791206 /nfs/dbraw/zinc/79/12/06/1340791206.db2.gz FPVAZMBMOWBLOG-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755056 1340791208 /nfs/dbraw/zinc/79/12/08/1340791208.db2.gz FPVAZMBMOWBLOG-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755056 1340791211 /nfs/dbraw/zinc/79/12/11/1340791211.db2.gz FPVAZMBMOWBLOG-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(NC[C@H]1CC[N@@H+](CC2CCC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028756058 1340791506 /nfs/dbraw/zinc/79/15/06/1340791506.db2.gz ZTDYNBQMGVHABO-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CC[NH+](CC2CCC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028756058 1340791510 /nfs/dbraw/zinc/79/15/10/1340791510.db2.gz ZTDYNBQMGVHABO-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CC[NH+](CC2CCC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028756058 1340791513 /nfs/dbraw/zinc/79/15/13/1340791513.db2.gz ZTDYNBQMGVHABO-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001028845811 1340857067 /nfs/dbraw/zinc/85/70/67/1340857067.db2.gz QONOVXWFIBZQHN-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001028845811 1340857069 /nfs/dbraw/zinc/85/70/69/1340857069.db2.gz QONOVXWFIBZQHN-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001028845811 1340857073 /nfs/dbraw/zinc/85/70/73/1340857073.db2.gz QONOVXWFIBZQHN-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001029113561 1340933326 /nfs/dbraw/zinc/93/33/26/1340933326.db2.gz LRNFZTHJSRVMGC-INIZCTEOSA-N 2 1 337.552 3.265 20 0 EGADMP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001029146280 1340942744 /nfs/dbraw/zinc/94/27/44/1340942744.db2.gz IEMJBTCZZVDZJD-MSOLQXFVSA-N 2 1 347.547 3.045 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]C(C)C)CC1 ZINC001029163679 1340946129 /nfs/dbraw/zinc/94/61/29/1340946129.db2.gz AXQLGDRYNYGEIT-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001029330814 1340972913 /nfs/dbraw/zinc/97/29/13/1340972913.db2.gz WHSOQNWAXWADBX-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001029330814 1340972914 /nfs/dbraw/zinc/97/29/14/1340972914.db2.gz WHSOQNWAXWADBX-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001029330814 1340972915 /nfs/dbraw/zinc/97/29/15/1340972915.db2.gz WHSOQNWAXWADBX-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001029347023 1340974905 /nfs/dbraw/zinc/97/49/05/1340974905.db2.gz JHRKNCLKBIBBNX-ZCNNSNEGSA-N 2 1 347.547 3.138 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001029767541 1341066583 /nfs/dbraw/zinc/06/65/83/1341066583.db2.gz UBWGUTKYOURJRL-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)CC1CCCCC1 ZINC001029861784 1341099021 /nfs/dbraw/zinc/09/90/21/1341099021.db2.gz RPYORVKYBZXRFQ-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029910625 1341113768 /nfs/dbraw/zinc/11/37/68/1341113768.db2.gz STHLVVAOQLRHSY-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029910625 1341113769 /nfs/dbraw/zinc/11/37/69/1341113769.db2.gz STHLVVAOQLRHSY-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029910625 1341113770 /nfs/dbraw/zinc/11/37/70/1341113770.db2.gz STHLVVAOQLRHSY-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001030033218 1341162340 /nfs/dbraw/zinc/16/23/40/1341162340.db2.gz QOFYIKIVZLYCJZ-HOJAQTOUSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001030033218 1341162341 /nfs/dbraw/zinc/16/23/41/1341162341.db2.gz QOFYIKIVZLYCJZ-HOJAQTOUSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001030033218 1341162342 /nfs/dbraw/zinc/16/23/42/1341162342.db2.gz QOFYIKIVZLYCJZ-HOJAQTOUSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001030033218 1341162343 /nfs/dbraw/zinc/16/23/43/1341162343.db2.gz QOFYIKIVZLYCJZ-HOJAQTOUSA-N 2 1 343.515 3.121 20 0 EGADMP O=C(NC1C[NH+](CC2CCCCC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001030833631 1341232640 /nfs/dbraw/zinc/23/26/40/1341232640.db2.gz ZMWREZTZCYXUEC-FQEVSTJZSA-N 2 1 347.547 3.164 20 0 EGADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001031439668 1341342677 /nfs/dbraw/zinc/34/26/77/1341342677.db2.gz IWQDFAGYTICKMQ-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001031439668 1341342680 /nfs/dbraw/zinc/34/26/80/1341342680.db2.gz IWQDFAGYTICKMQ-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCC3CCCCCC3)C2)CC[N@H+]1C ZINC001031685653 1341387541 /nfs/dbraw/zinc/38/75/41/1341387541.db2.gz DSIHNUTUGXEUKX-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCCC2CCCC2)C1 ZINC001032026719 1341441683 /nfs/dbraw/zinc/44/16/83/1341441683.db2.gz ISVYIHRTBARBNC-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2CCC(C)CC2)C1 ZINC001032026630 1341441772 /nfs/dbraw/zinc/44/17/72/1341441772.db2.gz HFTRFDFJTXHYQQ-AFMYVXGZSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033083065 1341719236 /nfs/dbraw/zinc/71/92/36/1341719236.db2.gz UGRRULSCBVLIKX-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033083065 1341719237 /nfs/dbraw/zinc/71/92/37/1341719237.db2.gz UGRRULSCBVLIKX-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033083065 1341719238 /nfs/dbraw/zinc/71/92/38/1341719238.db2.gz UGRRULSCBVLIKX-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC1CC(C[N@@H+]2CC[C@@H](N(C)C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001033121711 1341732133 /nfs/dbraw/zinc/73/21/33/1341732133.db2.gz GQXYSJCLGOWZTQ-VMBOVVBDSA-N 2 1 349.544 3.002 20 0 EGADMP CC1CC(C[N@H+]2CC[C@@H](N(C)C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001033121711 1341732134 /nfs/dbraw/zinc/73/21/34/1341732134.db2.gz GQXYSJCLGOWZTQ-VMBOVVBDSA-N 2 1 349.544 3.002 20 0 EGADMP CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033124231 1341732814 /nfs/dbraw/zinc/73/28/14/1341732814.db2.gz WMGFIUJPVDFBTD-MRXNPFEDSA-N 2 1 337.533 3.002 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033124231 1341732816 /nfs/dbraw/zinc/73/28/16/1341732816.db2.gz WMGFIUJPVDFBTD-MRXNPFEDSA-N 2 1 337.533 3.002 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033145571 1341738909 /nfs/dbraw/zinc/73/89/09/1341738909.db2.gz IGDWOVNOYNGRBH-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033145571 1341738910 /nfs/dbraw/zinc/73/89/10/1341738910.db2.gz IGDWOVNOYNGRBH-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033145571 1341738911 /nfs/dbraw/zinc/73/89/11/1341738911.db2.gz IGDWOVNOYNGRBH-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033146437 1341739506 /nfs/dbraw/zinc/73/95/06/1341739506.db2.gz PEUJONRPQOSHPU-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033146437 1341739508 /nfs/dbraw/zinc/73/95/08/1341739508.db2.gz PEUJONRPQOSHPU-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033146437 1341739512 /nfs/dbraw/zinc/73/95/12/1341739512.db2.gz PEUJONRPQOSHPU-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCC3CCCCC3)C2)CC[N@H+]1C ZINC001033358280 1341795492 /nfs/dbraw/zinc/79/54/92/1341795492.db2.gz KHRTXYSYWHGKFO-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001033358280 1341795494 /nfs/dbraw/zinc/79/54/94/1341795494.db2.gz KHRTXYSYWHGKFO-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001033358280 1341795496 /nfs/dbraw/zinc/79/54/96/1341795496.db2.gz KHRTXYSYWHGKFO-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001033358971 1341796126 /nfs/dbraw/zinc/79/61/26/1341796126.db2.gz SHMBKGIMVUWZRS-IHPCNDPISA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001033358971 1341796128 /nfs/dbraw/zinc/79/61/28/1341796128.db2.gz SHMBKGIMVUWZRS-IHPCNDPISA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001033358971 1341796129 /nfs/dbraw/zinc/79/61/29/1341796129.db2.gz SHMBKGIMVUWZRS-IHPCNDPISA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001033420449 1341821849 /nfs/dbraw/zinc/82/18/49/1341821849.db2.gz OZNHCHZEDBXAEG-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001033420449 1341821850 /nfs/dbraw/zinc/82/18/50/1341821850.db2.gz OZNHCHZEDBXAEG-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001033420449 1341821852 /nfs/dbraw/zinc/82/18/52/1341821852.db2.gz OZNHCHZEDBXAEG-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033468208 1341838412 /nfs/dbraw/zinc/83/84/12/1341838412.db2.gz WWOAEVUVCOYYRI-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033468208 1341838413 /nfs/dbraw/zinc/83/84/13/1341838413.db2.gz WWOAEVUVCOYYRI-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033472640 1341839917 /nfs/dbraw/zinc/83/99/17/1341839917.db2.gz ZLEACGGHOHRXBN-OALUTQOASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033472640 1341839919 /nfs/dbraw/zinc/83/99/19/1341839919.db2.gz ZLEACGGHOHRXBN-OALUTQOASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033472640 1341839921 /nfs/dbraw/zinc/83/99/21/1341839921.db2.gz ZLEACGGHOHRXBN-OALUTQOASA-N 2 1 349.563 3.218 20 0 EGADMP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033508617 1341851728 /nfs/dbraw/zinc/85/17/28/1341851728.db2.gz MODCWHNZMMVZMI-IBGZPJMESA-N 2 1 345.531 3.331 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033533254 1341861656 /nfs/dbraw/zinc/86/16/56/1341861656.db2.gz XQYKCADHIYUGFU-AZUAARDMSA-N 2 1 343.515 3.012 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033827030 1342028602 /nfs/dbraw/zinc/02/86/02/1342028602.db2.gz YSOZTXBGUAYJJN-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033827030 1342028606 /nfs/dbraw/zinc/02/86/06/1342028606.db2.gz YSOZTXBGUAYJJN-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033827030 1342028610 /nfs/dbraw/zinc/02/86/10/1342028610.db2.gz YSOZTXBGUAYJJN-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCCC[N@@H+](CC2CCC2)C1)[NH+]1CCCCC1 ZINC001034211896 1342320961 /nfs/dbraw/zinc/32/09/61/1342320961.db2.gz PQPGXDRAQFSFEY-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034240912 1342341660 /nfs/dbraw/zinc/34/16/60/1342341660.db2.gz ULWXZBFVHRWGKV-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC001034240912 1342341663 /nfs/dbraw/zinc/34/16/63/1342341663.db2.gz ULWXZBFVHRWGKV-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC(C)(C)C)C1 ZINC001034240912 1342341664 /nfs/dbraw/zinc/34/16/64/1342341664.db2.gz ULWXZBFVHRWGKV-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034248435 1342345448 /nfs/dbraw/zinc/34/54/48/1342345448.db2.gz CEGZTSIGZXTYBL-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[N@H+](CC2CCC2)C1 ZINC001034248435 1342345451 /nfs/dbraw/zinc/34/54/51/1342345451.db2.gz CEGZTSIGZXTYBL-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[N@@H+](CC2CCC2)C1 ZINC001034248435 1342345453 /nfs/dbraw/zinc/34/54/53/1342345453.db2.gz CEGZTSIGZXTYBL-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034250131 1342346396 /nfs/dbraw/zinc/34/63/96/1342346396.db2.gz PKARYMRIKIAAFA-IRXDYDNUSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034250131 1342346399 /nfs/dbraw/zinc/34/63/99/1342346399.db2.gz PKARYMRIKIAAFA-IRXDYDNUSA-N 2 1 346.519 3.167 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](CCC2CC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001034250017 1342346571 /nfs/dbraw/zinc/34/65/71/1342346571.db2.gz NYIDZCRAPFCBRQ-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCCC[NH+](CCC2CC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001034250017 1342346577 /nfs/dbraw/zinc/34/65/77/1342346577.db2.gz NYIDZCRAPFCBRQ-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCCC[NH+](CCC2CC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001034250017 1342346581 /nfs/dbraw/zinc/34/65/81/1342346581.db2.gz NYIDZCRAPFCBRQ-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034251236 1342347956 /nfs/dbraw/zinc/34/79/56/1342347956.db2.gz XJHAFDKDXHIKIJ-UYAOXDASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034251236 1342347961 /nfs/dbraw/zinc/34/79/61/1342347961.db2.gz XJHAFDKDXHIKIJ-UYAOXDASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034251236 1342347964 /nfs/dbraw/zinc/34/79/64/1342347964.db2.gz XJHAFDKDXHIKIJ-UYAOXDASSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001034398178 1342465425 /nfs/dbraw/zinc/46/54/25/1342465425.db2.gz NIEROTITKKAXGA-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001034398178 1342465429 /nfs/dbraw/zinc/46/54/29/1342465429.db2.gz NIEROTITKKAXGA-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001034398178 1342465431 /nfs/dbraw/zinc/46/54/31/1342465431.db2.gz NIEROTITKKAXGA-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)cs1 ZINC001034400911 1342466563 /nfs/dbraw/zinc/46/65/63/1342466563.db2.gz YOTULWQPJQMZHZ-YJBOKZPZSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)cs1 ZINC001034400911 1342466566 /nfs/dbraw/zinc/46/65/66/1342466566.db2.gz YOTULWQPJQMZHZ-YJBOKZPZSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)cs1 ZINC001034400911 1342466568 /nfs/dbraw/zinc/46/65/68/1342466568.db2.gz YOTULWQPJQMZHZ-YJBOKZPZSA-N 2 1 349.544 3.012 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC(C)C)C1 ZINC001034479755 1342536818 /nfs/dbraw/zinc/53/68/18/1342536818.db2.gz BBJPMOXCWJYQAF-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC(C)C)C1 ZINC001034479755 1342536820 /nfs/dbraw/zinc/53/68/20/1342536820.db2.gz BBJPMOXCWJYQAF-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC(C)C)C1 ZINC001034479755 1342536821 /nfs/dbraw/zinc/53/68/21/1342536821.db2.gz BBJPMOXCWJYQAF-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529066 1342586092 /nfs/dbraw/zinc/58/60/92/1342586092.db2.gz WBKGANJODDWQLN-PMACEKPBSA-N 2 1 343.515 3.204 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](CC2CCCCCC2)C1 ZINC001034530365 1342586457 /nfs/dbraw/zinc/58/64/57/1342586457.db2.gz WNNNFNZQMFURBU-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](CC2CCCCCC2)C1 ZINC001034530365 1342586459 /nfs/dbraw/zinc/58/64/59/1342586459.db2.gz WNNNFNZQMFURBU-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034537390 1342593484 /nfs/dbraw/zinc/59/34/84/1342593484.db2.gz BCAPJPUYZXUKAS-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001034537390 1342593487 /nfs/dbraw/zinc/59/34/87/1342593487.db2.gz BCAPJPUYZXUKAS-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001034537390 1342593490 /nfs/dbraw/zinc/59/34/90/1342593490.db2.gz BCAPJPUYZXUKAS-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034537871 1342594585 /nfs/dbraw/zinc/59/45/85/1342594585.db2.gz GGDUBQGZAXDZMO-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001034537871 1342594589 /nfs/dbraw/zinc/59/45/89/1342594589.db2.gz GGDUBQGZAXDZMO-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001034537871 1342594593 /nfs/dbraw/zinc/59/45/93/1342594593.db2.gz GGDUBQGZAXDZMO-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034537977 1342594708 /nfs/dbraw/zinc/59/47/08/1342594708.db2.gz GUDLJPYKWPGARV-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCCC2)C1 ZINC001034537977 1342594712 /nfs/dbraw/zinc/59/47/12/1342594712.db2.gz GUDLJPYKWPGARV-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCCC2)C1 ZINC001034537977 1342594714 /nfs/dbraw/zinc/59/47/14/1342594714.db2.gz GUDLJPYKWPGARV-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCCC[N@@H+](C/C=C\Cl)C2)c1 ZINC001034538687 1342596487 /nfs/dbraw/zinc/59/64/87/1342596487.db2.gz VILYILSUWAJJOO-OEPRFQHASA-N 2 1 349.906 3.085 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001034642453 1342667939 /nfs/dbraw/zinc/66/79/39/1342667939.db2.gz FCZUMOUNGJUAST-BZSNNMDCSA-N 2 1 349.544 3.138 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@@H]([NH2+]CC3CCC(C)CC3)CC2)CC[N@H+]1C ZINC001034647577 1342669133 /nfs/dbraw/zinc/66/91/33/1342669133.db2.gz MLCNEMFRGYHRIG-DDARFZGZSA-N 2 1 349.563 3.170 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034683718 1342690848 /nfs/dbraw/zinc/69/08/48/1342690848.db2.gz YZCZIRCQMZMAMF-UFYCRDLUSA-N 2 1 349.563 3.314 20 0 EGADMP CC1(C)CC(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001034735855 1342729245 /nfs/dbraw/zinc/72/92/45/1342729245.db2.gz OAVCPLGYMHLGLX-IYARVYRRSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034749262 1342737338 /nfs/dbraw/zinc/73/73/38/1342737338.db2.gz JQOGCEHJSPSHMP-VAMGGRTRSA-N 2 1 349.563 3.457 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1 ZINC001034750842 1342738074 /nfs/dbraw/zinc/73/80/74/1342738074.db2.gz ZNXGINGKMSHYJS-GUDVDZBRSA-N 2 1 335.536 3.066 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001034962466 1342855125 /nfs/dbraw/zinc/85/51/25/1342855125.db2.gz RRAIJWQEMDMOQG-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CC[NH+](C[C@H](C)CC)C2)CC1 ZINC001035189203 1343003454 /nfs/dbraw/zinc/00/34/54/1343003454.db2.gz XYCRBDGWXKTWJH-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC2(CC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001035189203 1343003461 /nfs/dbraw/zinc/00/34/61/1343003461.db2.gz XYCRBDGWXKTWJH-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](C[C@H](C)CC)C2)CC1 ZINC001035189203 1343003463 /nfs/dbraw/zinc/00/34/63/1343003463.db2.gz XYCRBDGWXKTWJH-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001035233884 1343056125 /nfs/dbraw/zinc/05/61/25/1343056125.db2.gz NVLIRQOLOKXVKI-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036833110 1343772663 /nfs/dbraw/zinc/77/26/63/1343772663.db2.gz OJIPRGONSFFMHB-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCC(C)(C)C)C2)CC1 ZINC001036836871 1343775935 /nfs/dbraw/zinc/77/59/35/1343775935.db2.gz YVJAMSARZQXRCJ-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036904287 1343851041 /nfs/dbraw/zinc/85/10/41/1343851041.db2.gz PFNIAPXFKWXJEZ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)CC[C@H]21 ZINC001036905840 1343853352 /nfs/dbraw/zinc/85/33/52/1343853352.db2.gz PZXVHRIZOYYLJW-FUHWJXTLSA-N 2 1 347.503 3.068 20 0 EGADMP CC[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1[NH2+]C(C)C ZINC001037871551 1344153212 /nfs/dbraw/zinc/15/32/12/1344153212.db2.gz CLNFVSLJKYTGPV-AEFFLSMTSA-N 2 1 337.552 3.265 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038406156 1344414518 /nfs/dbraw/zinc/41/45/18/1344414518.db2.gz ASWNNJILUAFMNI-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCCC1 ZINC001038406156 1344414520 /nfs/dbraw/zinc/41/45/20/1344414520.db2.gz ASWNNJILUAFMNI-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001038406156 1344414522 /nfs/dbraw/zinc/41/45/22/1344414522.db2.gz ASWNNJILUAFMNI-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CC1CCCCCC1)c1ccn2c[nH+]cc2c1 ZINC001038464102 1344435703 /nfs/dbraw/zinc/43/57/03/1344435703.db2.gz ZIKDRAACONDXLA-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038521440 1344464415 /nfs/dbraw/zinc/46/44/15/1344464415.db2.gz XSLIBQADLLUYDT-UXHICEINSA-N 2 1 348.450 3.290 20 0 EGADMP C[NH+](C)CCc1ccccc1C(=O)NC[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001038554930 1344481795 /nfs/dbraw/zinc/48/17/95/1344481795.db2.gz IPZLVTJIZHASPT-GOSISDBHSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038622689 1344509456 /nfs/dbraw/zinc/50/94/56/1344509456.db2.gz NUVGFNZQDUMBDF-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038622689 1344509458 /nfs/dbraw/zinc/50/94/58/1344509458.db2.gz NUVGFNZQDUMBDF-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001038622689 1344509461 /nfs/dbraw/zinc/50/94/61/1344509461.db2.gz NUVGFNZQDUMBDF-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001038780507 1344581623 /nfs/dbraw/zinc/58/16/23/1344581623.db2.gz LKQRMULBSFVBBD-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001038780507 1344581625 /nfs/dbraw/zinc/58/16/25/1344581625.db2.gz LKQRMULBSFVBBD-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCC1 ZINC001038780507 1344581630 /nfs/dbraw/zinc/58/16/30/1344581630.db2.gz LKQRMULBSFVBBD-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCC1 ZINC001038782476 1344582062 /nfs/dbraw/zinc/58/20/62/1344582062.db2.gz UASUQPDSCXBDQM-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC001038782476 1344582064 /nfs/dbraw/zinc/58/20/64/1344582064.db2.gz UASUQPDSCXBDQM-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001038782476 1344582067 /nfs/dbraw/zinc/58/20/67/1344582067.db2.gz UASUQPDSCXBDQM-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCC1 ZINC001038909161 1344647450 /nfs/dbraw/zinc/64/74/50/1344647450.db2.gz OHJKWXSFSOEMTL-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001038909161 1344647453 /nfs/dbraw/zinc/64/74/53/1344647453.db2.gz OHJKWXSFSOEMTL-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001038909161 1344647456 /nfs/dbraw/zinc/64/74/56/1344647456.db2.gz OHJKWXSFSOEMTL-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137483 1344817200 /nfs/dbraw/zinc/81/72/00/1344817200.db2.gz HFZBQNHMFKSYCQ-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039137483 1344817205 /nfs/dbraw/zinc/81/72/05/1344817205.db2.gz HFZBQNHMFKSYCQ-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039137483 1344817210 /nfs/dbraw/zinc/81/72/10/1344817210.db2.gz HFZBQNHMFKSYCQ-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C(=O)N1CCC([C@H]2CC[N@@H+](CC3CCCC3)C2)CC1)[NH+](C)C ZINC001039137903 1344818306 /nfs/dbraw/zinc/81/83/06/1344818306.db2.gz UEZMBKDEFNWRNL-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CC[C@@H](C2CCN(C(=O)c3sccc3C[NH+](C)C)CC2)C1 ZINC001039140408 1344819845 /nfs/dbraw/zinc/81/98/45/1344819845.db2.gz GJFBQNFUVIGFPZ-MRXNPFEDSA-N 2 1 349.544 3.004 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CC[NH+](C(C)C)C2)CC1 ZINC001039140256 1344820590 /nfs/dbraw/zinc/82/05/90/1344820590.db2.gz RJTRPRWDGIHVQK-WOJBJXKFSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001039140256 1344820594 /nfs/dbraw/zinc/82/05/94/1344820594.db2.gz RJTRPRWDGIHVQK-WOJBJXKFSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001039140256 1344820598 /nfs/dbraw/zinc/82/05/98/1344820598.db2.gz RJTRPRWDGIHVQK-WOJBJXKFSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228895 1344948746 /nfs/dbraw/zinc/94/87/46/1344948746.db2.gz KZLMOYGUZWLRKX-APWZRJJASA-N 2 1 340.471 3.061 20 0 EGADMP CCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235317 1344956353 /nfs/dbraw/zinc/95/63/53/1344956353.db2.gz WFTKGWOFKKDLSU-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039235317 1344956357 /nfs/dbraw/zinc/95/63/57/1344956357.db2.gz WFTKGWOFKKDLSU-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039235317 1344956360 /nfs/dbraw/zinc/95/63/60/1344956360.db2.gz WFTKGWOFKKDLSU-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001039398085 1345045734 /nfs/dbraw/zinc/04/57/34/1345045734.db2.gz KVAGKYIOXWYTCZ-HSALFYBXSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001039398085 1345045737 /nfs/dbraw/zinc/04/57/37/1345045737.db2.gz KVAGKYIOXWYTCZ-HSALFYBXSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001039398085 1345045742 /nfs/dbraw/zinc/04/57/42/1345045742.db2.gz KVAGKYIOXWYTCZ-HSALFYBXSA-N 2 1 347.547 3.138 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CCC(C)C)C3)CC[N@H+]1C ZINC001040208665 1345375964 /nfs/dbraw/zinc/37/59/64/1345375964.db2.gz AQSVVWIBZAQEHC-ZVDOUQERSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC(C)C)C3)CC[NH+]1C ZINC001040208665 1345375966 /nfs/dbraw/zinc/37/59/66/1345375966.db2.gz AQSVVWIBZAQEHC-ZVDOUQERSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC(C)C)C3)CC[NH+]1C ZINC001040208665 1345375969 /nfs/dbraw/zinc/37/59/69/1345375969.db2.gz AQSVVWIBZAQEHC-ZVDOUQERSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2)[NH+](C)C ZINC001040260789 1345400462 /nfs/dbraw/zinc/40/04/62/1345400462.db2.gz ISYFOGZAERQPEI-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040700017 1345567239 /nfs/dbraw/zinc/56/72/39/1345567239.db2.gz GKNZTPBENBLROQ-IBGZPJMESA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC001040727547 1345571286 /nfs/dbraw/zinc/57/12/86/1345571286.db2.gz SLEBUIZCLKUHQW-LJQANCHMSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001040953196 1345609495 /nfs/dbraw/zinc/60/94/95/1345609495.db2.gz KUZFNDFXCYYGEC-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433181 1345726663 /nfs/dbraw/zinc/72/66/63/1345726663.db2.gz WBMIXQPZOQAWRC-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041433181 1345726666 /nfs/dbraw/zinc/72/66/66/1345726666.db2.gz WBMIXQPZOQAWRC-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041433181 1345726669 /nfs/dbraw/zinc/72/66/69/1345726669.db2.gz WBMIXQPZOQAWRC-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041743984 1345838772 /nfs/dbraw/zinc/83/87/72/1345838772.db2.gz RRYYDBWMBGMZDF-NRFANRHFSA-N 2 1 343.515 3.086 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042085443 1345940520 /nfs/dbraw/zinc/94/05/20/1345940520.db2.gz NOFBRNFAQYNCLT-WBVHZDCISA-N 2 1 349.544 3.146 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042085443 1345940521 /nfs/dbraw/zinc/94/05/21/1345940521.db2.gz NOFBRNFAQYNCLT-WBVHZDCISA-N 2 1 349.544 3.146 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042368582 1346059371 /nfs/dbraw/zinc/05/93/71/1346059371.db2.gz RXQCXIUPGNBCME-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042367971 1346059452 /nfs/dbraw/zinc/05/94/52/1346059452.db2.gz NBTQGQXDSZSNGQ-FXAWDEMLSA-N 2 1 343.515 3.085 20 0 EGADMP CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1C[NH+](CC2CCCCCC2)C1 ZINC001043072768 1346137010 /nfs/dbraw/zinc/13/70/10/1346137010.db2.gz HRMSQYMXCMITNB-AZUAARDMSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1C[NH+](CC2CCCCCC2)C1 ZINC001043072773 1346137052 /nfs/dbraw/zinc/13/70/52/1346137052.db2.gz HRMSQYMXCMITNB-QUCCMNQESA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CCC2CCCCC2)C1 ZINC001044006513 1346232736 /nfs/dbraw/zinc/23/27/36/1346232736.db2.gz QDLJVZIYSFOGTB-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CCC2CCCCC2)C1 ZINC001044006513 1346232737 /nfs/dbraw/zinc/23/27/37/1346232737.db2.gz QDLJVZIYSFOGTB-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CCC(C)(C)C)C1 ZINC001044170746 1346265311 /nfs/dbraw/zinc/26/53/11/1346265311.db2.gz VBRGPESJNPYUPU-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001044170374 1346265347 /nfs/dbraw/zinc/26/53/47/1346265347.db2.gz OAQJBSISTAWBMQ-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H]([NH2+]CCC2CC2)C[C@@H]1C ZINC001044768329 1346424682 /nfs/dbraw/zinc/42/46/82/1346424682.db2.gz VDSNCGDUDMDRND-FUHWJXTLSA-N 2 1 346.519 3.166 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045076308 1346490565 /nfs/dbraw/zinc/49/05/65/1346490565.db2.gz RRAIJWQEMDMOQG-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCC(C)(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC001045390267 1346580637 /nfs/dbraw/zinc/58/06/37/1346580637.db2.gz PQOAASARMVAOGG-HKUYNNGSSA-N 2 1 343.515 3.121 20 0 EGADMP CC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC[NH+](CC2CCCC2)CC1 ZINC001045585054 1346637421 /nfs/dbraw/zinc/63/74/21/1346637421.db2.gz MHSHVQKIZUBPHV-OALUTQOASA-N 2 1 347.547 3.164 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(CC)CC ZINC001045789812 1346698796 /nfs/dbraw/zinc/69/87/96/1346698796.db2.gz SZHXDTJIAAMKKP-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(CC)CC ZINC001045789812 1346698798 /nfs/dbraw/zinc/69/87/98/1346698798.db2.gz SZHXDTJIAAMKKP-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(CC)CC ZINC001045789812 1346698800 /nfs/dbraw/zinc/69/88/00/1346698800.db2.gz SZHXDTJIAAMKKP-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001045943049 1346778848 /nfs/dbraw/zinc/77/88/48/1346778848.db2.gz FRSCJGHJXCXRNI-PZJWPPBQSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001045943049 1346778849 /nfs/dbraw/zinc/77/88/49/1346778849.db2.gz FRSCJGHJXCXRNI-PZJWPPBQSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001045943049 1346778852 /nfs/dbraw/zinc/77/88/52/1346778852.db2.gz FRSCJGHJXCXRNI-PZJWPPBQSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045961068 1346796539 /nfs/dbraw/zinc/79/65/39/1346796539.db2.gz FLCZTIZTCKLNNK-IRFCIJBXSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001045961068 1346796540 /nfs/dbraw/zinc/79/65/40/1346796540.db2.gz FLCZTIZTCKLNNK-IRFCIJBXSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001045961068 1346796543 /nfs/dbraw/zinc/79/65/43/1346796543.db2.gz FLCZTIZTCKLNNK-IRFCIJBXSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CCC(C)C)C2)C1)[NH+](C)C ZINC001045967576 1346802398 /nfs/dbraw/zinc/80/23/98/1346802398.db2.gz XSHVVCMVSZMNMT-AZUAARDMSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@]3(CC[NH+](CCC(C)(C)C)C3)C2)C1 ZINC001045984680 1346825359 /nfs/dbraw/zinc/82/53/59/1346825359.db2.gz GLBVMWGQMWGCPE-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N2CCCC[C@]3(CC[N@H+](CCC(C)(C)C)C3)C2)C1 ZINC001045984680 1346825361 /nfs/dbraw/zinc/82/53/61/1346825361.db2.gz GLBVMWGQMWGCPE-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N2CCCC[C@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)C1 ZINC001045984680 1346825362 /nfs/dbraw/zinc/82/53/62/1346825362.db2.gz GLBVMWGQMWGCPE-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC(C)(C)C)C1 ZINC001132376398 1375338942 /nfs/dbraw/zinc/33/89/42/1375338942.db2.gz MPPJSBHCVFPPGQ-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH+](CCC)CC2)C1 ZINC001047241284 1347267593 /nfs/dbraw/zinc/26/75/93/1347267593.db2.gz PGZDNTAEBAQCEG-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC2CCCC2)C1 ZINC001047991644 1347436346 /nfs/dbraw/zinc/43/63/46/1347436346.db2.gz GUABANJVYMPHBM-AEFFLSMTSA-N 2 1 346.519 3.023 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC ZINC001048584185 1347606401 /nfs/dbraw/zinc/60/64/01/1347606401.db2.gz VNIUUEUXWACQBN-FCGDIQPGSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC ZINC001048584185 1347606406 /nfs/dbraw/zinc/60/64/06/1347606406.db2.gz VNIUUEUXWACQBN-FCGDIQPGSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC ZINC001048584185 1347606411 /nfs/dbraw/zinc/60/64/11/1347606411.db2.gz VNIUUEUXWACQBN-FCGDIQPGSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CCCCC3)CC2)C1 ZINC001048624226 1347623154 /nfs/dbraw/zinc/62/31/54/1347623154.db2.gz KZZSKRZDVMQDCO-UFYCRDLUSA-N 2 1 349.563 3.031 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001048910596 1347682877 /nfs/dbraw/zinc/68/28/77/1347682877.db2.gz BWQPHNQLLXUCRB-KURKYZTESA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]2C1 ZINC001048910596 1347682880 /nfs/dbraw/zinc/68/28/80/1347682880.db2.gz BWQPHNQLLXUCRB-KURKYZTESA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]2C1 ZINC001048910596 1347682881 /nfs/dbraw/zinc/68/28/81/1347682881.db2.gz BWQPHNQLLXUCRB-KURKYZTESA-N 2 1 349.563 3.076 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC1CCCCC1 ZINC001049369410 1347807947 /nfs/dbraw/zinc/80/79/47/1347807947.db2.gz OCYSXRCKQLUDTQ-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CCCCC1 ZINC001049369410 1347807949 /nfs/dbraw/zinc/80/79/49/1347807949.db2.gz OCYSXRCKQLUDTQ-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CCCCC1 ZINC001049369410 1347807952 /nfs/dbraw/zinc/80/79/52/1347807952.db2.gz OCYSXRCKQLUDTQ-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCCC2CCC2)CCC1 ZINC001049516759 1347887741 /nfs/dbraw/zinc/88/77/41/1347887741.db2.gz FSHAVOMQYJQOGP-MOPGFXCFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC2=CCCCC2)CCC1 ZINC001049518792 1347888868 /nfs/dbraw/zinc/88/88/68/1347888868.db2.gz VTZFSHYLIQIHRF-RTBURBONSA-N 2 1 345.531 3.036 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049520806 1347889068 /nfs/dbraw/zinc/88/90/68/1347889068.db2.gz DYWUYCQBYSWYJJ-HSALFYBXSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001049520806 1347889069 /nfs/dbraw/zinc/88/90/69/1347889069.db2.gz DYWUYCQBYSWYJJ-HSALFYBXSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001049520806 1347889073 /nfs/dbraw/zinc/88/90/73/1347889073.db2.gz DYWUYCQBYSWYJJ-HSALFYBXSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049520215 1347889593 /nfs/dbraw/zinc/88/95/93/1347889593.db2.gz CCMDXZDYHQSVTG-XUVXKRRUSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001049520215 1347889596 /nfs/dbraw/zinc/88/95/96/1347889596.db2.gz CCMDXZDYHQSVTG-XUVXKRRUSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001049520215 1347889601 /nfs/dbraw/zinc/88/96/01/1347889601.db2.gz CCMDXZDYHQSVTG-XUVXKRRUSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCC1 ZINC001049520624 1347889640 /nfs/dbraw/zinc/88/96/40/1347889640.db2.gz CXDHTPPLMYKUCX-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCC1 ZINC001049520624 1347889643 /nfs/dbraw/zinc/88/96/43/1347889643.db2.gz CXDHTPPLMYKUCX-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCC1 ZINC001049520624 1347889646 /nfs/dbraw/zinc/88/96/46/1347889646.db2.gz CXDHTPPLMYKUCX-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001049534974 1347896257 /nfs/dbraw/zinc/89/62/57/1347896257.db2.gz XURMQOPRIRGFCA-OTWHNJEPSA-N 2 1 349.563 3.074 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CCCCC1)[NH+](C)C ZINC001049548875 1347902921 /nfs/dbraw/zinc/90/29/21/1347902921.db2.gz GGXPOPZCZZXZJC-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563192 1347911113 /nfs/dbraw/zinc/91/11/13/1347911113.db2.gz CXQUAKQMACYNHC-MSOLQXFVSA-N 2 1 335.536 3.115 20 0 EGADMP CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049563192 1347911116 /nfs/dbraw/zinc/91/11/16/1347911116.db2.gz CXQUAKQMACYNHC-MSOLQXFVSA-N 2 1 335.536 3.115 20 0 EGADMP CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563192 1347911117 /nfs/dbraw/zinc/91/11/17/1347911117.db2.gz CXQUAKQMACYNHC-MSOLQXFVSA-N 2 1 335.536 3.115 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049674357 1347967655 /nfs/dbraw/zinc/96/76/55/1347967655.db2.gz CDSVFBWIZMNKSL-CGTJXYLNSA-N 2 1 347.503 3.066 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049674357 1347967656 /nfs/dbraw/zinc/96/76/56/1347967656.db2.gz CDSVFBWIZMNKSL-CGTJXYLNSA-N 2 1 347.503 3.066 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049711313 1347986107 /nfs/dbraw/zinc/98/61/07/1347986107.db2.gz LXFODVMGRSRKIJ-GUDVDZBRSA-N 2 1 337.552 3.074 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC1CCCC1)[NH+](C)C ZINC001049727883 1347991199 /nfs/dbraw/zinc/99/11/99/1347991199.db2.gz MGZCHXLQQPOFGR-XUVXKRRUSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049751019 1348000199 /nfs/dbraw/zinc/00/01/99/1348000199.db2.gz BGFWGDSKQYVHPX-ZWKOTPCHSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049751019 1348000201 /nfs/dbraw/zinc/00/02/01/1348000201.db2.gz BGFWGDSKQYVHPX-ZWKOTPCHSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763748 1348008538 /nfs/dbraw/zinc/00/85/38/1348008538.db2.gz XWYRPEDSACPXTK-MSOLQXFVSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763748 1348008541 /nfs/dbraw/zinc/00/85/41/1348008541.db2.gz XWYRPEDSACPXTK-MSOLQXFVSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049764444 1348009340 /nfs/dbraw/zinc/00/93/40/1348009340.db2.gz CZWVOTFPIIJJEJ-SLFFLAALSA-N 2 1 347.547 3.282 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049765794 1348009533 /nfs/dbraw/zinc/00/95/33/1348009533.db2.gz HZDYOZWXFJYYRR-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1C ZINC001079805088 1357388397 /nfs/dbraw/zinc/38/83/97/1357388397.db2.gz IUHJGMGKDWNZJM-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1C ZINC001079805088 1357388400 /nfs/dbraw/zinc/38/84/00/1357388400.db2.gz IUHJGMGKDWNZJM-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1C ZINC001079805088 1357388404 /nfs/dbraw/zinc/38/84/04/1357388404.db2.gz IUHJGMGKDWNZJM-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049919228 1348112122 /nfs/dbraw/zinc/11/21/22/1348112122.db2.gz OBIICRWHTVZVPH-PMACEKPBSA-N 2 1 343.515 3.227 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001050245303 1348217320 /nfs/dbraw/zinc/21/73/20/1348217320.db2.gz LTQXGQGNSYAJOP-LJQANCHMSA-N 2 1 331.504 3.016 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001050245303 1348217321 /nfs/dbraw/zinc/21/73/21/1348217321.db2.gz LTQXGQGNSYAJOP-LJQANCHMSA-N 2 1 331.504 3.016 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001050245303 1348217324 /nfs/dbraw/zinc/21/73/24/1348217324.db2.gz LTQXGQGNSYAJOP-LJQANCHMSA-N 2 1 331.504 3.016 20 0 EGADMP O=C(N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001050375063 1348242647 /nfs/dbraw/zinc/24/26/47/1348242647.db2.gz DWNFCUOUYGXTFA-WTGUMLROSA-N 2 1 347.547 3.068 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001050392391 1348248990 /nfs/dbraw/zinc/24/89/90/1348248990.db2.gz ABGPKCUWXJMNGA-VAMGGRTRSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001050543868 1348286838 /nfs/dbraw/zinc/28/68/38/1348286838.db2.gz MSYUUFCLUIMSQH-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001050687630 1348327490 /nfs/dbraw/zinc/32/74/90/1348327490.db2.gz ONLAKODWSKYIQW-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3CC(C)(C)C3)CC2)CC[N@H+]1C ZINC001052395205 1348539501 /nfs/dbraw/zinc/53/95/01/1348539501.db2.gz NAHYVMFKMFISPN-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC3CC(C)(C)C3)CC2)CC[NH+]1C ZINC001052395205 1348539503 /nfs/dbraw/zinc/53/95/03/1348539503.db2.gz NAHYVMFKMFISPN-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC3CC(C)(C)C3)CC2)CC[NH+]1C ZINC001052395205 1348539504 /nfs/dbraw/zinc/53/95/04/1348539504.db2.gz NAHYVMFKMFISPN-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447000 1348544009 /nfs/dbraw/zinc/54/40/09/1348544009.db2.gz VHDPRXXWPDNZJO-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052447000 1348544011 /nfs/dbraw/zinc/54/40/11/1348544011.db2.gz VHDPRXXWPDNZJO-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052447000 1348544012 /nfs/dbraw/zinc/54/40/12/1348544012.db2.gz VHDPRXXWPDNZJO-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052448410 1348544366 /nfs/dbraw/zinc/54/43/66/1348544366.db2.gz ZADLTIOPUYVZES-DLBZAZTESA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052448410 1348544369 /nfs/dbraw/zinc/54/43/69/1348544369.db2.gz ZADLTIOPUYVZES-DLBZAZTESA-N 2 1 346.519 3.167 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCC2CCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001052529864 1348567193 /nfs/dbraw/zinc/56/71/93/1348567193.db2.gz TULSUXNCVLXWCG-IBGZPJMESA-N 2 1 347.547 3.166 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001052529865 1348567340 /nfs/dbraw/zinc/56/73/40/1348567340.db2.gz TULSUXNCVLXWCG-LJQANCHMSA-N 2 1 347.547 3.166 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680747 1348628198 /nfs/dbraw/zinc/62/81/98/1348628198.db2.gz SQCGDGKRJQFLOS-PXNSSMCTSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CC3CCCCCC3)CC2)C1 ZINC001052712898 1348645184 /nfs/dbraw/zinc/64/51/84/1348645184.db2.gz PKLHFIMIDFGZAE-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CC3CCCCCC3)CC2)C1 ZINC001052712898 1348645186 /nfs/dbraw/zinc/64/51/86/1348645186.db2.gz PKLHFIMIDFGZAE-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CC3CCCCCC3)CC2)C1 ZINC001052712898 1348645187 /nfs/dbraw/zinc/64/51/87/1348645187.db2.gz PKLHFIMIDFGZAE-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CC3CC(C)(C)C3)CC2)CC1 ZINC001052819713 1348689504 /nfs/dbraw/zinc/68/95/04/1348689504.db2.gz IHWAIMAJEMPFQY-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC001052955183 1348769736 /nfs/dbraw/zinc/76/97/36/1348769736.db2.gz AIDOQFFMHDNNCS-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC001052955183 1348769739 /nfs/dbraw/zinc/76/97/39/1348769739.db2.gz AIDOQFFMHDNNCS-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccsc2)CC1 ZINC001052955183 1348769742 /nfs/dbraw/zinc/76/97/42/1348769742.db2.gz AIDOQFFMHDNNCS-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001052958370 1348772040 /nfs/dbraw/zinc/77/20/40/1348772040.db2.gz MDHFSGQNNAFTRY-LJQANCHMSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029974 1348828985 /nfs/dbraw/zinc/82/89/85/1348828985.db2.gz ZGTXTLQWQZJAHM-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050626 1348853188 /nfs/dbraw/zinc/85/31/88/1348853188.db2.gz GSRIJBNYYZPBLF-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001053089532 1348915566 /nfs/dbraw/zinc/91/55/66/1348915566.db2.gz BSFNLYPINRPSBM-APWZRJJASA-N 2 1 340.471 3.061 20 0 EGADMP CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053092108 1348918257 /nfs/dbraw/zinc/91/82/57/1348918257.db2.gz QEWHYIHILFRBOB-MOPGFXCFSA-N 2 1 346.519 3.085 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053092108 1348918263 /nfs/dbraw/zinc/91/82/63/1348918263.db2.gz QEWHYIHILFRBOB-MOPGFXCFSA-N 2 1 346.519 3.085 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053100948 1348934753 /nfs/dbraw/zinc/93/47/53/1348934753.db2.gz JXYCLWVLNWBVAR-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001079965447 1357441114 /nfs/dbraw/zinc/44/11/14/1357441114.db2.gz JDMMZCCGAZKPCY-QRQLOZEOSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001079965447 1357441117 /nfs/dbraw/zinc/44/11/17/1357441117.db2.gz JDMMZCCGAZKPCY-QRQLOZEOSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001079965447 1357441119 /nfs/dbraw/zinc/44/11/19/1357441119.db2.gz JDMMZCCGAZKPCY-QRQLOZEOSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001079965447 1357441121 /nfs/dbraw/zinc/44/11/21/1357441121.db2.gz JDMMZCCGAZKPCY-QRQLOZEOSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174009 1349175695 /nfs/dbraw/zinc/17/56/95/1349175695.db2.gz JCLIWTKBJKOBLL-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1)[NH+](C)C ZINC001054191779 1349193760 /nfs/dbraw/zinc/19/37/60/1349193760.db2.gz MEHBWPRRHNYUHS-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209169 1349210401 /nfs/dbraw/zinc/21/04/01/1349210401.db2.gz KPXDYPMWUTZBPI-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001054214199 1349214040 /nfs/dbraw/zinc/21/40/40/1349214040.db2.gz SXDHPHNIMJBNTB-OAQYLSRUSA-N 2 1 343.515 3.085 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054245046 1349238816 /nfs/dbraw/zinc/23/88/16/1349238816.db2.gz NSYXNGHURYHVEE-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245201 1349238891 /nfs/dbraw/zinc/23/88/91/1349238891.db2.gz PSYANUNTUDZUDY-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C)cc2C1 ZINC001054270368 1349268436 /nfs/dbraw/zinc/26/84/36/1349268436.db2.gz MVBKQUCRTGKJMV-HXUWFJFHSA-N 2 1 341.499 3.069 20 0 EGADMP CC(C)=CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2C1 ZINC001054270368 1349268441 /nfs/dbraw/zinc/26/84/41/1349268441.db2.gz MVBKQUCRTGKJMV-HXUWFJFHSA-N 2 1 341.499 3.069 20 0 EGADMP CC(C)=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2C1 ZINC001054270368 1349268444 /nfs/dbraw/zinc/26/84/44/1349268444.db2.gz MVBKQUCRTGKJMV-HXUWFJFHSA-N 2 1 341.499 3.069 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080442449 1357622665 /nfs/dbraw/zinc/62/26/65/1357622665.db2.gz AJDXANNVGBWNIQ-ZIFCJYIRSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001080442449 1357622668 /nfs/dbraw/zinc/62/26/68/1357622668.db2.gz AJDXANNVGBWNIQ-ZIFCJYIRSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001080442449 1357622670 /nfs/dbraw/zinc/62/26/70/1357622670.db2.gz AJDXANNVGBWNIQ-ZIFCJYIRSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001080456059 1357624812 /nfs/dbraw/zinc/62/48/12/1357624812.db2.gz LGYSCUOATYEIRH-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001080456059 1357624817 /nfs/dbraw/zinc/62/48/17/1357624817.db2.gz LGYSCUOATYEIRH-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1cc(F)cc(Br)c1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001238568082 1376999210 /nfs/dbraw/zinc/99/92/10/1376999210.db2.gz BJNZRVXVOOOWLS-UHFFFAOYSA-N 2 1 341.268 3.424 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[N@@H+]1CC1CCC1 ZINC001071545680 1354757645 /nfs/dbraw/zinc/75/76/45/1354757645.db2.gz CKBBDJAAKJHPKV-RHSMWYFYSA-N 2 1 349.544 3.193 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[N@H+]1CC1CCC1 ZINC001071545680 1354757647 /nfs/dbraw/zinc/75/76/47/1354757647.db2.gz CKBBDJAAKJHPKV-RHSMWYFYSA-N 2 1 349.544 3.193 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071600633 1354788905 /nfs/dbraw/zinc/78/89/05/1354788905.db2.gz OLAIYKAYOYWLPW-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[N@H+]1CCC(C)(C)C ZINC001071606013 1354792281 /nfs/dbraw/zinc/79/22/81/1354792281.db2.gz FJMNTGQGRWSJHG-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CC1CC(C)(C)C1 ZINC001071735083 1354887118 /nfs/dbraw/zinc/88/71/18/1354887118.db2.gz GBYJPHIXJXNZDI-AEFFLSMTSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001071739300 1354888750 /nfs/dbraw/zinc/88/87/50/1354888750.db2.gz QNVLGLJCLXNICK-IEBWSBKVSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001071868455 1354993825 /nfs/dbraw/zinc/99/38/25/1354993825.db2.gz JYTPJWKGYPEFDD-DLBZAZTESA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC(C)(C)C)C1 ZINC001071868455 1354993831 /nfs/dbraw/zinc/99/38/31/1354993831.db2.gz JYTPJWKGYPEFDD-DLBZAZTESA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001071870121 1354995274 /nfs/dbraw/zinc/99/52/74/1354995274.db2.gz ZENOZUMPVSGOJQ-IRXDYDNUSA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001071870121 1354995277 /nfs/dbraw/zinc/99/52/77/1354995277.db2.gz ZENOZUMPVSGOJQ-IRXDYDNUSA-N 2 1 334.508 3.022 20 0 EGADMP CCCC[N@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072099701 1355130136 /nfs/dbraw/zinc/13/01/36/1355130136.db2.gz VXIJODQPIBWNJW-SJLPKXTDSA-N 2 1 331.504 3.131 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(C)C)C2)o1 ZINC001072110087 1355136617 /nfs/dbraw/zinc/13/66/17/1355136617.db2.gz SGECDIAJHBIIBV-DLBZAZTESA-N 2 1 349.519 3.360 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072813179 1355448755 /nfs/dbraw/zinc/44/87/55/1355448755.db2.gz HTBNPUHCBVAMER-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001072813179 1355448759 /nfs/dbraw/zinc/44/87/59/1355448759.db2.gz HTBNPUHCBVAMER-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001072813179 1355448762 /nfs/dbraw/zinc/44/87/62/1355448762.db2.gz HTBNPUHCBVAMER-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C(=O)N1CC2(C1)CC[N@H+]([C@H](CC)c1ccccc1)C2)[NH+](C)C ZINC001072851271 1355464889 /nfs/dbraw/zinc/46/48/89/1355464889.db2.gz PVROBHVQUODUDJ-RTBURBONSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCC(C)(C)C)C3)C1 ZINC001073125682 1355610052 /nfs/dbraw/zinc/61/00/52/1355610052.db2.gz FDVOQSOXBVHPCH-ZWKOTPCHSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)(C)C)C1 ZINC001183221423 1387282149 /nfs/dbraw/zinc/28/21/49/1387282149.db2.gz IDANCGAXYTUWMB-YLJYHZDGSA-N 2 1 339.568 3.229 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCC2CC2)CCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001074653016 1356220807 /nfs/dbraw/zinc/22/08/07/1356220807.db2.gz SHYMVLLFXCNJOT-QRFRQXIXSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)[C@@H]1C ZINC001074686121 1356224621 /nfs/dbraw/zinc/22/46/21/1356224621.db2.gz QGGQHEJTIAEKRN-IHPCNDPISA-N 2 1 347.547 3.329 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C)c1 ZINC001074803892 1356248208 /nfs/dbraw/zinc/24/82/08/1356248208.db2.gz TZZMDJTZMPZXNY-LCLWPZTBSA-N 2 1 343.515 3.038 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C)c1ccccc1 ZINC001074878421 1356276749 /nfs/dbraw/zinc/27/67/49/1356276749.db2.gz UFZYHWUIOVCJEK-AOIWGVFYSA-N 2 1 343.515 3.059 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1=CCCCC1 ZINC001099315872 1363745384 /nfs/dbraw/zinc/74/53/84/1363745384.db2.gz IXUIHEGQRBJULR-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1=CCCCC1 ZINC001099315872 1363745387 /nfs/dbraw/zinc/74/53/87/1363745387.db2.gz IXUIHEGQRBJULR-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1=CCCCC1 ZINC001099315872 1363745390 /nfs/dbraw/zinc/74/53/90/1363745390.db2.gz IXUIHEGQRBJULR-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080782888 1357738258 /nfs/dbraw/zinc/73/82/58/1357738258.db2.gz GGLHEHDGGKISRW-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080782888 1357738260 /nfs/dbraw/zinc/73/82/60/1357738260.db2.gz GGLHEHDGGKISRW-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080782888 1357738264 /nfs/dbraw/zinc/73/82/64/1357738264.db2.gz GGLHEHDGGKISRW-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1 ZINC001082521318 1358053647 /nfs/dbraw/zinc/05/36/47/1358053647.db2.gz ATXNOLJVKJBKKU-SOLBZPMBSA-N 2 1 346.519 3.023 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001183509125 1387315065 /nfs/dbraw/zinc/31/50/65/1387315065.db2.gz AEGJBHLAIYUPFT-CLKPHGLSSA-N 2 1 337.552 3.147 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001183516936 1387316112 /nfs/dbraw/zinc/31/61/12/1387316112.db2.gz GVJPCPNBULWWGH-YFVAEKQCSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCCCCC3)C[C@H]21)[NH+](C)C ZINC001084429287 1358211929 /nfs/dbraw/zinc/21/19/29/1358211929.db2.gz XHCVTZFNOJOIML-AQNXPRMDSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCC(C)(C)C)C[C@H]21)[NH+]1CCCC1 ZINC001084853107 1358328543 /nfs/dbraw/zinc/32/85/43/1358328543.db2.gz IAPMHBYNYSMATC-QRVBRYPASA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC001084939158 1358352295 /nfs/dbraw/zinc/35/22/95/1358352295.db2.gz URFNEMBYANQCOQ-QRVBRYPASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC(C)(C)C)[C@H]2C1 ZINC001084939158 1358352302 /nfs/dbraw/zinc/35/23/02/1358352302.db2.gz URFNEMBYANQCOQ-QRVBRYPASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC(C)(C)C)[C@H]2C1 ZINC001084939158 1358352308 /nfs/dbraw/zinc/35/23/08/1358352308.db2.gz URFNEMBYANQCOQ-QRVBRYPASA-N 2 1 349.563 3.218 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC001084963378 1358355436 /nfs/dbraw/zinc/35/54/36/1358355436.db2.gz QDPOHUGXOCKKGX-QRVBRYPASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[N@H+](CCC(C)(C)C)[C@H]2C1 ZINC001084963378 1358355440 /nfs/dbraw/zinc/35/54/40/1358355440.db2.gz QDPOHUGXOCKKGX-QRVBRYPASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[N@@H+](CCC(C)(C)C)[C@H]2C1 ZINC001084963378 1358355443 /nfs/dbraw/zinc/35/54/43/1358355443.db2.gz QDPOHUGXOCKKGX-QRVBRYPASA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001085196774 1358431663 /nfs/dbraw/zinc/43/16/63/1358431663.db2.gz NMGGVEKIXABHQZ-VAMGGRTRSA-N 2 1 347.547 3.377 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001085217946 1358436084 /nfs/dbraw/zinc/43/60/84/1358436084.db2.gz YVDJQIGKJADVAZ-AQNXPRMDSA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCCC1)[NH+](C)C ZINC001323339784 1387343649 /nfs/dbraw/zinc/34/36/49/1387343649.db2.gz JHYSTWBNALYJTK-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001183759569 1387345038 /nfs/dbraw/zinc/34/50/38/1387345038.db2.gz MKZQZASTQUZCBX-XWGMLZDCSA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085622678 1358642361 /nfs/dbraw/zinc/64/23/61/1358642361.db2.gz BEYBKIHNQGAFHW-GDBMZVCRSA-N 2 1 337.533 3.002 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085622678 1358642364 /nfs/dbraw/zinc/64/23/64/1358642364.db2.gz BEYBKIHNQGAFHW-GDBMZVCRSA-N 2 1 337.533 3.002 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085725311 1358713575 /nfs/dbraw/zinc/71/35/75/1358713575.db2.gz SEKYINFNWCMEBH-OXQOHEQNSA-N 2 1 348.450 3.242 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC2CC(C)(C)C2)C1 ZINC001085778748 1358753175 /nfs/dbraw/zinc/75/31/75/1358753175.db2.gz GMHLEOBGVZRMLC-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CC(C)(C)C2)C1 ZINC001085778748 1358753180 /nfs/dbraw/zinc/75/31/80/1358753180.db2.gz GMHLEOBGVZRMLC-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CC(C)(C)C2)C1 ZINC001085778748 1358753185 /nfs/dbraw/zinc/75/31/85/1358753185.db2.gz GMHLEOBGVZRMLC-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001183827092 1387354894 /nfs/dbraw/zinc/35/48/94/1387354894.db2.gz UVYKXNQBIQVFRV-GOSISDBHSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901327 1358858906 /nfs/dbraw/zinc/85/89/06/1358858906.db2.gz CGIIVDAQQCBWMA-IBGZPJMESA-N 2 1 337.552 3.076 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001086122781 1359002845 /nfs/dbraw/zinc/00/28/45/1359002845.db2.gz YFHLATGNBKQEMJ-XEYPJELSSA-N 2 1 343.515 3.025 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001086251082 1359042175 /nfs/dbraw/zinc/04/21/75/1359042175.db2.gz ZSSGFMLVTRQDEJ-ZCNNSNEGSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001086381830 1359083400 /nfs/dbraw/zinc/08/34/00/1359083400.db2.gz JXHZHDBFMZLBQL-VAMGGRTRSA-N 2 1 349.563 3.316 20 0 EGADMP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001086387649 1359084681 /nfs/dbraw/zinc/08/46/81/1359084681.db2.gz NPRFEDJDHWQZON-BJLQDIEVSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086694480 1359187462 /nfs/dbraw/zinc/18/74/62/1359187462.db2.gz VAEHACAKSGDGHT-QXAKKESOSA-N 2 1 349.563 3.170 20 0 EGADMP CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001086696646 1359188173 /nfs/dbraw/zinc/18/81/73/1359188173.db2.gz UQCPPFFBEOWYOK-IPMKNSEASA-N 2 1 349.563 3.172 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC2(C[C@@H]1C)CC[NH+](CC)CC2 ZINC001086925369 1359250804 /nfs/dbraw/zinc/25/08/04/1359250804.db2.gz VFUKVXORKGTBIG-IRXDYDNUSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086940892 1359262573 /nfs/dbraw/zinc/26/25/73/1359262573.db2.gz CTMOFRYJVFKRLC-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086952251 1359272445 /nfs/dbraw/zinc/27/24/45/1359272445.db2.gz DAKMLJSZEPGFJR-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C(C)C ZINC001087168407 1359312131 /nfs/dbraw/zinc/31/21/31/1359312131.db2.gz LIHAFYNQVSSKOX-ZACQAIPSSA-N 2 1 334.508 3.022 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001087212536 1359322559 /nfs/dbraw/zinc/32/25/59/1359322559.db2.gz GBNFRYQKILOOAN-GGPKGHCWSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1CC1CCC1 ZINC001087602298 1359550681 /nfs/dbraw/zinc/55/06/81/1359550681.db2.gz JJIWOBBXZUWWBF-XUVXKRRUSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1CC1CCC1 ZINC001087602298 1359550682 /nfs/dbraw/zinc/55/06/82/1359550682.db2.gz JJIWOBBXZUWWBF-XUVXKRRUSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1CC1CCC1 ZINC001087602298 1359550684 /nfs/dbraw/zinc/55/06/84/1359550684.db2.gz JJIWOBBXZUWWBF-XUVXKRRUSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CCCC1CCCC1 ZINC001087625352 1359562210 /nfs/dbraw/zinc/56/22/10/1359562210.db2.gz DFHRDKYHWNLCIP-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CCCC1CCCC1 ZINC001087625352 1359562212 /nfs/dbraw/zinc/56/22/12/1359562212.db2.gz DFHRDKYHWNLCIP-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CCCC1CCCC1 ZINC001087625352 1359562215 /nfs/dbraw/zinc/56/22/15/1359562215.db2.gz DFHRDKYHWNLCIP-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CCCC1CCCC1 ZINC001087625352 1359562217 /nfs/dbraw/zinc/56/22/17/1359562217.db2.gz DFHRDKYHWNLCIP-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1CC ZINC001087746174 1359624982 /nfs/dbraw/zinc/62/49/82/1359624982.db2.gz KPUVYRXJICMGON-IXDOHACOSA-N 2 1 334.508 3.022 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1CC ZINC001087746174 1359624985 /nfs/dbraw/zinc/62/49/85/1359624985.db2.gz KPUVYRXJICMGON-IXDOHACOSA-N 2 1 334.508 3.022 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@H+]1CC1=CCCCC1 ZINC001087840746 1359675420 /nfs/dbraw/zinc/67/54/20/1359675420.db2.gz MHGZCILKOFWOKR-XUVXKRRUSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC[NH+]1CC1=CCCCC1 ZINC001087840746 1359675422 /nfs/dbraw/zinc/67/54/22/1359675422.db2.gz MHGZCILKOFWOKR-XUVXKRRUSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC[NH+]1CC1=CCCCC1 ZINC001087840746 1359675427 /nfs/dbraw/zinc/67/54/27/1359675427.db2.gz MHGZCILKOFWOKR-XUVXKRRUSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966765 1359721157 /nfs/dbraw/zinc/72/11/57/1359721157.db2.gz UHCJNFKOMQPGKF-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966582 1359721934 /nfs/dbraw/zinc/72/19/34/1359721934.db2.gz KNKGZADINDEUAV-OTWHNJEPSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3nonc3c2)CC1 ZINC001184206929 1387414725 /nfs/dbraw/zinc/41/47/25/1387414725.db2.gz OFAZUVBEENIQCS-LIRRHRJNSA-N 2 1 328.460 3.356 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(C)C)CC[C@@H]2C1 ZINC001088166775 1359778990 /nfs/dbraw/zinc/77/89/90/1359778990.db2.gz QSWQUYDTBQJTTI-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(C)C)CC[C@@H]2C1 ZINC001088166775 1359778993 /nfs/dbraw/zinc/77/89/93/1359778993.db2.gz QSWQUYDTBQJTTI-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(C)C)CC[C@@H]2C1 ZINC001088166775 1359778995 /nfs/dbraw/zinc/77/89/95/1359778995.db2.gz QSWQUYDTBQJTTI-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP Fc1ccc(CC[NH2+]CC2([NH+]3CCCCC3)CCOCC2)c(F)c1 ZINC001323661273 1387419948 /nfs/dbraw/zinc/41/99/48/1387419948.db2.gz YMFNNHRWJJWPLD-UHFFFAOYSA-N 2 1 338.442 3.132 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCCC[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001088382228 1359865443 /nfs/dbraw/zinc/86/54/43/1359865443.db2.gz XBDBKAXJJFZODG-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1 ZINC001088431110 1359898813 /nfs/dbraw/zinc/89/88/13/1359898813.db2.gz IJTXJQJZMIKGMA-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1CCC1CC1 ZINC001088569559 1359976194 /nfs/dbraw/zinc/97/61/94/1359976194.db2.gz YVIWYZJDOCNSQC-POAQFYNOSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1CCC1CC1 ZINC001088569559 1359976196 /nfs/dbraw/zinc/97/61/96/1359976196.db2.gz YVIWYZJDOCNSQC-POAQFYNOSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1CCC1CC1 ZINC001088569559 1359976199 /nfs/dbraw/zinc/97/61/99/1359976199.db2.gz YVIWYZJDOCNSQC-POAQFYNOSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001088567482 1359977140 /nfs/dbraw/zinc/97/71/40/1359977140.db2.gz QUNIDIUTROBLDD-MJGOQNOKSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CCC1=CCCCC1 ZINC001088791981 1360045939 /nfs/dbraw/zinc/04/59/39/1360045939.db2.gz NJBIMOMJUKPQCZ-MJGOQNOKSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)[C@@H]2C)CC1 ZINC001088952983 1360112881 /nfs/dbraw/zinc/11/28/81/1360112881.db2.gz UGUJENLBHGHMMY-AEFFLSMTSA-N 2 1 337.552 3.122 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392494 1360392776 /nfs/dbraw/zinc/39/27/76/1360392776.db2.gz VPOHAMWEQXYXDJ-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392494 1360392779 /nfs/dbraw/zinc/39/27/79/1360392779.db2.gz VPOHAMWEQXYXDJ-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392494 1360392781 /nfs/dbraw/zinc/39/27/81/1360392781.db2.gz VPOHAMWEQXYXDJ-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089407082 1360405663 /nfs/dbraw/zinc/40/56/63/1360405663.db2.gz VUDPTZUVYYMBNT-IEBWSBKVSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089407082 1360405666 /nfs/dbraw/zinc/40/56/66/1360405666.db2.gz VUDPTZUVYYMBNT-IEBWSBKVSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089407082 1360405668 /nfs/dbraw/zinc/40/56/68/1360405668.db2.gz VUDPTZUVYYMBNT-IEBWSBKVSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089416837 1360411215 /nfs/dbraw/zinc/41/12/15/1360411215.db2.gz QYUOBYQRTYUXSP-SFHVURJKSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)CC(C)(C)C1 ZINC001089420124 1360414645 /nfs/dbraw/zinc/41/46/45/1360414645.db2.gz JXGNUJPHKQXMCE-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)CC(C)(C)C1 ZINC001089420124 1360414647 /nfs/dbraw/zinc/41/46/47/1360414647.db2.gz JXGNUJPHKQXMCE-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)CC(C)(C)C1 ZINC001089420124 1360414650 /nfs/dbraw/zinc/41/46/50/1360414650.db2.gz JXGNUJPHKQXMCE-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509038 1360480992 /nfs/dbraw/zinc/48/09/92/1360480992.db2.gz DELLLDRFQICXKP-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510337 1360481293 /nfs/dbraw/zinc/48/12/93/1360481293.db2.gz RIDPSHCJZUTBNT-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC(C)(C)C1 ZINC001089537498 1360495697 /nfs/dbraw/zinc/49/56/97/1360495697.db2.gz NSURKRFYQLBMOG-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089563338 1360510426 /nfs/dbraw/zinc/51/04/26/1360510426.db2.gz QFBMZUNQIGMZES-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC1(C)C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+](CC2CCCCC2)C1 ZINC001089564294 1360510682 /nfs/dbraw/zinc/51/06/82/1360510682.db2.gz XSWRMIRQTVBUHK-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CC(C)(C)C1 ZINC001089616988 1360536831 /nfs/dbraw/zinc/53/68/31/1360536831.db2.gz QQPQIBLMGAPYRB-ZWKOTPCHSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CC(C)(C)C1 ZINC001089616988 1360536832 /nfs/dbraw/zinc/53/68/32/1360536832.db2.gz QQPQIBLMGAPYRB-ZWKOTPCHSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC(C)(C)C1 ZINC001089616988 1360536835 /nfs/dbraw/zinc/53/68/35/1360536835.db2.gz QQPQIBLMGAPYRB-ZWKOTPCHSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001089641881 1360554715 /nfs/dbraw/zinc/55/47/15/1360554715.db2.gz WCTQJIYNCMNCBM-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001089641881 1360554718 /nfs/dbraw/zinc/55/47/18/1360554718.db2.gz WCTQJIYNCMNCBM-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001089641881 1360554724 /nfs/dbraw/zinc/55/47/24/1360554724.db2.gz WCTQJIYNCMNCBM-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CCC3CCCC3)C2)C1 ZINC001091064650 1360988431 /nfs/dbraw/zinc/98/84/31/1360988431.db2.gz LSRJNHBMKDEUSA-GPJFCIFZSA-N 2 1 349.563 3.029 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001184578078 1387497461 /nfs/dbraw/zinc/49/74/61/1387497461.db2.gz QPNMLEDBQSRQQV-KAGICYHLSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)[C@]1(CO)CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC001323936880 1387498466 /nfs/dbraw/zinc/49/84/66/1387498466.db2.gz PFKVQYNQGSLPIY-OAQYLSRUSA-N 2 1 346.515 3.002 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092736515 1361450695 /nfs/dbraw/zinc/45/06/95/1361450695.db2.gz TXUQRZTUTOGCNL-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001092736515 1361450697 /nfs/dbraw/zinc/45/06/97/1361450697.db2.gz TXUQRZTUTOGCNL-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001092736515 1361450698 /nfs/dbraw/zinc/45/06/98/1361450698.db2.gz TXUQRZTUTOGCNL-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001094950667 1361958031 /nfs/dbraw/zinc/95/80/31/1361958031.db2.gz NHZWKDKRLHDQTD-BQFCYCMXSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCC2)CC[N@H+]1C ZINC001095441081 1362142244 /nfs/dbraw/zinc/14/22/44/1362142244.db2.gz NGTHWAMUZUCWKC-CXQPBAHBSA-N 2 1 347.547 3.019 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCC2)CC[NH+]1C ZINC001095441081 1362142247 /nfs/dbraw/zinc/14/22/47/1362142247.db2.gz NGTHWAMUZUCWKC-CXQPBAHBSA-N 2 1 347.547 3.019 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCC2)CC[NH+]1C ZINC001095441081 1362142249 /nfs/dbraw/zinc/14/22/49/1362142249.db2.gz NGTHWAMUZUCWKC-CXQPBAHBSA-N 2 1 347.547 3.019 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001095499017 1362157486 /nfs/dbraw/zinc/15/74/86/1362157486.db2.gz NARCJXBSFKWCPY-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001095499017 1362157488 /nfs/dbraw/zinc/15/74/88/1362157488.db2.gz NARCJXBSFKWCPY-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001095499017 1362157491 /nfs/dbraw/zinc/15/74/91/1362157491.db2.gz NARCJXBSFKWCPY-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(CC)CC ZINC001095498814 1362157509 /nfs/dbraw/zinc/15/75/09/1362157509.db2.gz FMVWPBPAHIXZEU-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(CC)CC ZINC001095498814 1362157513 /nfs/dbraw/zinc/15/75/13/1362157513.db2.gz FMVWPBPAHIXZEU-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(CC)CC ZINC001095498814 1362157516 /nfs/dbraw/zinc/15/75/16/1362157516.db2.gz FMVWPBPAHIXZEU-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095912302 1362285354 /nfs/dbraw/zinc/28/53/54/1362285354.db2.gz QWPYMNQZSDQTSI-FUMNGEBKSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001095912302 1362285357 /nfs/dbraw/zinc/28/53/57/1362285357.db2.gz QWPYMNQZSDQTSI-FUMNGEBKSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001095912302 1362285359 /nfs/dbraw/zinc/28/53/59/1362285359.db2.gz QWPYMNQZSDQTSI-FUMNGEBKSA-N 2 1 347.547 3.161 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCCC2)CC1 ZINC001095962785 1362311394 /nfs/dbraw/zinc/31/13/94/1362311394.db2.gz FSTWKSGMEIGWDY-AABGKKOBSA-N 2 1 347.547 3.020 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001097063120 1362829532 /nfs/dbraw/zinc/82/95/32/1362829532.db2.gz GZUDJNWTSRMRHL-YRXWBPOGSA-N 2 1 335.536 3.017 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097063120 1362829536 /nfs/dbraw/zinc/82/95/36/1362829536.db2.gz GZUDJNWTSRMRHL-YRXWBPOGSA-N 2 1 335.536 3.017 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001097063120 1362829539 /nfs/dbraw/zinc/82/95/39/1362829539.db2.gz GZUDJNWTSRMRHL-YRXWBPOGSA-N 2 1 335.536 3.017 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001097343846 1362943827 /nfs/dbraw/zinc/94/38/27/1362943827.db2.gz ZLDHUUUOZHZTCN-ZRNYENFQSA-N 2 1 345.531 3.083 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001097343846 1362943831 /nfs/dbraw/zinc/94/38/31/1362943831.db2.gz ZLDHUUUOZHZTCN-ZRNYENFQSA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1=CCCCC1 ZINC001097343846 1362943833 /nfs/dbraw/zinc/94/38/33/1362943833.db2.gz ZLDHUUUOZHZTCN-ZRNYENFQSA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1=CCCCC1 ZINC001097343846 1362943836 /nfs/dbraw/zinc/94/38/36/1362943836.db2.gz ZLDHUUUOZHZTCN-ZRNYENFQSA-N 2 1 345.531 3.083 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC001324354745 1387608062 /nfs/dbraw/zinc/60/80/62/1387608062.db2.gz BMIOSOXOQBMHNF-MHJFOBGBSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCCC2)C1 ZINC001097854036 1363142484 /nfs/dbraw/zinc/14/24/84/1363142484.db2.gz SWBUQJPEWXLBCQ-AFYVEPGGSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCCC2)C1 ZINC001097854036 1363142485 /nfs/dbraw/zinc/14/24/85/1363142485.db2.gz SWBUQJPEWXLBCQ-AFYVEPGGSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCCC2)C1 ZINC001097854036 1363142488 /nfs/dbraw/zinc/14/24/88/1363142488.db2.gz SWBUQJPEWXLBCQ-AFYVEPGGSA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+](CC)CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001324392505 1387617022 /nfs/dbraw/zinc/61/70/22/1387617022.db2.gz LRIAQDDVZPFPDS-IHWFROFDSA-N 2 1 343.515 3.030 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001098463959 1363333262 /nfs/dbraw/zinc/33/32/62/1363333262.db2.gz JBSLFWBFDDJSAV-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001098463959 1363333263 /nfs/dbraw/zinc/33/32/63/1363333263.db2.gz JBSLFWBFDDJSAV-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001098463959 1363333265 /nfs/dbraw/zinc/33/32/65/1363333265.db2.gz JBSLFWBFDDJSAV-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110717 1363628345 /nfs/dbraw/zinc/62/83/45/1363628345.db2.gz HJMFAJNRFWAPRM-GHOSXJJBSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099110717 1363628348 /nfs/dbraw/zinc/62/83/48/1363628348.db2.gz HJMFAJNRFWAPRM-GHOSXJJBSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001099110717 1363628350 /nfs/dbraw/zinc/62/83/50/1363628350.db2.gz HJMFAJNRFWAPRM-GHOSXJJBSA-N 2 1 349.563 3.434 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCCC1)C1CCC1 ZINC001099111361 1363629594 /nfs/dbraw/zinc/62/95/94/1363629594.db2.gz ZOSSTHIGCLGASJ-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1)C1CCC1 ZINC001099111361 1363629598 /nfs/dbraw/zinc/62/95/98/1363629598.db2.gz ZOSSTHIGCLGASJ-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCCC1)C1CCC1 ZINC001099111361 1363629602 /nfs/dbraw/zinc/62/96/02/1363629602.db2.gz ZOSSTHIGCLGASJ-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1C/C=C\Cl ZINC001099130287 1363642862 /nfs/dbraw/zinc/64/28/62/1363642862.db2.gz KAXGZZGSMFRJCS-QIENPNARSA-N 2 1 343.943 3.076 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1C/C=C\Cl ZINC001099130287 1363642865 /nfs/dbraw/zinc/64/28/65/1363642865.db2.gz KAXGZZGSMFRJCS-QIENPNARSA-N 2 1 343.943 3.076 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1C/C=C\Cl ZINC001099130287 1363642869 /nfs/dbraw/zinc/64/28/69/1363642869.db2.gz KAXGZZGSMFRJCS-QIENPNARSA-N 2 1 343.943 3.076 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1C/C=C\Cl ZINC001099130287 1363642874 /nfs/dbraw/zinc/64/28/74/1363642874.db2.gz KAXGZZGSMFRJCS-QIENPNARSA-N 2 1 343.943 3.076 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225288 1363701193 /nfs/dbraw/zinc/70/11/93/1363701193.db2.gz RHZVOZIMLRLSMB-QZTJIDSGSA-N 2 1 337.552 3.146 20 0 EGADMP C[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC1)[NH+]1CCCCCC1 ZINC001099251373 1363714052 /nfs/dbraw/zinc/71/40/52/1363714052.db2.gz JFZAKMHRBKGZGD-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1C/C=C/Cl ZINC001099320255 1363747412 /nfs/dbraw/zinc/74/74/12/1363747412.db2.gz HRUVEGOBXMYULC-VGZDNEPHSA-N 2 1 343.943 3.078 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1C/C=C/Cl ZINC001099320255 1363747414 /nfs/dbraw/zinc/74/74/14/1363747414.db2.gz HRUVEGOBXMYULC-VGZDNEPHSA-N 2 1 343.943 3.078 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1C/C=C/Cl ZINC001099320255 1363747416 /nfs/dbraw/zinc/74/74/16/1363747416.db2.gz HRUVEGOBXMYULC-VGZDNEPHSA-N 2 1 343.943 3.078 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC[C@@H](C)F ZINC001099320361 1363748162 /nfs/dbraw/zinc/74/81/62/1363748162.db2.gz ITYCCSIYSSPHEU-IAGOWNOFSA-N 2 1 343.531 3.073 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC[C@@H](C)F ZINC001099320361 1363748163 /nfs/dbraw/zinc/74/81/63/1363748163.db2.gz ITYCCSIYSSPHEU-IAGOWNOFSA-N 2 1 343.531 3.073 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC[C@@H](C)F ZINC001099320361 1363748166 /nfs/dbraw/zinc/74/81/66/1363748166.db2.gz ITYCCSIYSSPHEU-IAGOWNOFSA-N 2 1 343.531 3.073 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001099347709 1363764095 /nfs/dbraw/zinc/76/40/95/1363764095.db2.gz AWPFCIRGHAALLS-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC1(C)CC[C@H](CNC(=O)CC[NH+]2CCCCC2)[N@@H+](CCC2CC2)C1 ZINC001099354126 1363768144 /nfs/dbraw/zinc/76/81/44/1363768144.db2.gz MLJHKSYMZLUKEJ-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001099372476 1363777719 /nfs/dbraw/zinc/77/77/19/1363777719.db2.gz NUFKHJVUCJZQHF-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099535514 1363837590 /nfs/dbraw/zinc/83/75/90/1363837590.db2.gz GXTCGEPBUYUSPB-NMLBUPMWSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185214370 1387652887 /nfs/dbraw/zinc/65/28/87/1387652887.db2.gz GSXWUMGPXCMXPI-ZWKOTPCHSA-N 2 1 346.519 3.047 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001100383300 1364097552 /nfs/dbraw/zinc/09/75/52/1364097552.db2.gz UREKSUOSIMWAAQ-SBDAGSLNSA-N 2 1 335.536 3.092 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC1CC([NH2+]CCCC2CCC2)C1 ZINC001100406059 1364104259 /nfs/dbraw/zinc/10/42/59/1364104259.db2.gz ZAFRFBKFDVHVHS-SOAGJPPSSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100729712 1364238339 /nfs/dbraw/zinc/23/83/39/1364238339.db2.gz KSABTHHSOFSBSK-UHFFFAOYSA-N 2 1 348.535 3.317 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]Cc2ccc(C)cc2C)C1 ZINC001100898545 1364320333 /nfs/dbraw/zinc/32/03/33/1364320333.db2.gz MMZWPOCXEWLEPW-UHFFFAOYSA-N 2 1 345.531 3.020 20 0 EGADMP CC[C@H]([NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1)c1ccc(F)cc1 ZINC001101037161 1364384016 /nfs/dbraw/zinc/38/40/16/1364384016.db2.gz BLOGKQPOGXLQNF-PPSBMQLTSA-N 2 1 349.494 3.101 20 0 EGADMP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001185306823 1387676979 /nfs/dbraw/zinc/67/69/79/1387676979.db2.gz NKVZAZYDEUHAEK-PKOBYXMFSA-N 2 1 346.519 3.012 20 0 EGADMP CCCCC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001185306738 1387677226 /nfs/dbraw/zinc/67/72/26/1387677226.db2.gz MQYZFFFEEQMQEB-IEBWSBKVSA-N 2 1 348.535 3.236 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101362983 1364528004 /nfs/dbraw/zinc/52/80/04/1364528004.db2.gz LUORZIBBWLHDBI-BJPJZYQZSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001102122783 1364872695 /nfs/dbraw/zinc/87/26/95/1364872695.db2.gz LNWLGGQGZFIXGO-SJLPKXTDSA-N 2 1 342.487 3.068 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292535 1364988071 /nfs/dbraw/zinc/98/80/71/1364988071.db2.gz RKMKOJVASDUHBD-CEXWTWQISA-N 2 1 345.531 3.082 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357771 1365020661 /nfs/dbraw/zinc/02/06/61/1365020661.db2.gz IOSNXSACBLTZIV-RPSDLQHZSA-N 2 1 337.552 3.147 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1C ZINC001102366996 1365025833 /nfs/dbraw/zinc/02/58/33/1365025833.db2.gz XRCFQMOJEWSKLF-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1C ZINC001102366996 1365025838 /nfs/dbraw/zinc/02/58/38/1365025838.db2.gz XRCFQMOJEWSKLF-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1C ZINC001102366996 1365025840 /nfs/dbraw/zinc/02/58/40/1365025840.db2.gz XRCFQMOJEWSKLF-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102521038 1365097068 /nfs/dbraw/zinc/09/70/68/1365097068.db2.gz NSVXXUISIMJITP-YZBXUTEPSA-N 2 1 337.552 3.149 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102582921 1365123906 /nfs/dbraw/zinc/12/39/06/1365123906.db2.gz CHEVIIBGKTWZSN-RTBURBONSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001324669628 1387726389 /nfs/dbraw/zinc/72/63/89/1387726389.db2.gz PREJVRSTAKHNER-FXAWDEMLSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001324669628 1387726393 /nfs/dbraw/zinc/72/63/93/1387726393.db2.gz PREJVRSTAKHNER-FXAWDEMLSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001324669628 1387726394 /nfs/dbraw/zinc/72/63/94/1387726394.db2.gz PREJVRSTAKHNER-FXAWDEMLSA-N 2 1 331.504 3.060 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001103086410 1365373495 /nfs/dbraw/zinc/37/34/95/1365373495.db2.gz APJQDDDUHWBHFX-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001103086410 1365373497 /nfs/dbraw/zinc/37/34/97/1365373497.db2.gz APJQDDDUHWBHFX-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001103086410 1365373501 /nfs/dbraw/zinc/37/35/01/1365373501.db2.gz APJQDDDUHWBHFX-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001103360638 1365517388 /nfs/dbraw/zinc/51/73/88/1365517388.db2.gz NQENMQXWGCDBSS-GGPKGHCWSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001103360638 1365517390 /nfs/dbraw/zinc/51/73/90/1365517390.db2.gz NQENMQXWGCDBSS-GGPKGHCWSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001103360638 1365517394 /nfs/dbraw/zinc/51/73/94/1365517394.db2.gz NQENMQXWGCDBSS-GGPKGHCWSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[C@@H]2C[NH+](CC=C(C)C)C[C@H]2C)C1 ZINC001103359200 1365517562 /nfs/dbraw/zinc/51/75/62/1365517562.db2.gz OPLREJSWQZEAQD-AQNXPRMDSA-N 2 1 349.563 3.149 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[C@@H]2C[N@H+](CC=C(C)C)C[C@H]2C)C1 ZINC001103359200 1365517565 /nfs/dbraw/zinc/51/75/65/1365517565.db2.gz OPLREJSWQZEAQD-AQNXPRMDSA-N 2 1 349.563 3.149 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[C@@H]2C[N@@H+](CC=C(C)C)C[C@H]2C)C1 ZINC001103359200 1365517568 /nfs/dbraw/zinc/51/75/68/1365517568.db2.gz OPLREJSWQZEAQD-AQNXPRMDSA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103570978 1365644961 /nfs/dbraw/zinc/64/49/61/1365644961.db2.gz OSXPIJRMPSAQGH-SBUVDCAVSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103644656 1365697927 /nfs/dbraw/zinc/69/79/27/1365697927.db2.gz KEYIXFUHFGKWPV-IVCWSTDESA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001103644656 1365697930 /nfs/dbraw/zinc/69/79/30/1365697930.db2.gz KEYIXFUHFGKWPV-IVCWSTDESA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103644656 1365697933 /nfs/dbraw/zinc/69/79/33/1365697933.db2.gz KEYIXFUHFGKWPV-IVCWSTDESA-N 2 1 349.563 3.149 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1C ZINC001103662890 1365710984 /nfs/dbraw/zinc/71/09/84/1365710984.db2.gz YVXWEELXEXIZQD-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001103662890 1365710989 /nfs/dbraw/zinc/71/09/89/1365710989.db2.gz YVXWEELXEXIZQD-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001103662890 1365710992 /nfs/dbraw/zinc/71/09/92/1365710992.db2.gz YVXWEELXEXIZQD-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001103756874 1365766647 /nfs/dbraw/zinc/76/66/47/1365766647.db2.gz DUVGOETVXFFMCC-VJQBDMSCSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001103756874 1365766652 /nfs/dbraw/zinc/76/66/52/1365766652.db2.gz DUVGOETVXFFMCC-VJQBDMSCSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001103756874 1365766653 /nfs/dbraw/zinc/76/66/53/1365766653.db2.gz DUVGOETVXFFMCC-VJQBDMSCSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC[NH2+]CCCC1CCC1 ZINC001104294176 1365978367 /nfs/dbraw/zinc/97/83/67/1365978367.db2.gz AIERUNLJXVYEFV-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104310752 1365979511 /nfs/dbraw/zinc/97/95/11/1365979511.db2.gz GSSSEISCRVFUKQ-QFTWQFLFSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1)c1cccc(F)c1 ZINC001185706867 1387783159 /nfs/dbraw/zinc/78/31/59/1387783159.db2.gz SCHHQICVMKNUMW-MAUKXSAKSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC001185751034 1387789623 /nfs/dbraw/zinc/78/96/23/1387789623.db2.gz NPQCWXIDKQEILU-ICSRJNTNSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC2CC(C)C2)CC1 ZINC001324864677 1387795771 /nfs/dbraw/zinc/79/57/71/1387795771.db2.gz RAYQWIJOESCMSR-ACBHZAAOSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394167 1366442967 /nfs/dbraw/zinc/44/29/67/1366442967.db2.gz PNUGHUYJPNICCD-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105518018 1366505210 /nfs/dbraw/zinc/50/52/10/1366505210.db2.gz PBBOXRFRNAAFTJ-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001105536723 1366516146 /nfs/dbraw/zinc/51/61/46/1366516146.db2.gz IBSQTLFVUUZSCZ-RBUKOAKNSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001105556479 1366529372 /nfs/dbraw/zinc/52/93/72/1366529372.db2.gz HUUTVHVDVKCALZ-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CCC[C@@H]2C)CCC1 ZINC001105564324 1366533248 /nfs/dbraw/zinc/53/32/48/1366533248.db2.gz ZTNXKORVTJWHGG-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105576857 1366541535 /nfs/dbraw/zinc/54/15/35/1366541535.db2.gz MOOMMMVKODQIIA-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)CCC1 ZINC001105577724 1366542045 /nfs/dbraw/zinc/54/20/45/1366542045.db2.gz YVYZTYNCCMXUTH-SFHVURJKSA-N 2 1 346.519 3.133 20 0 EGADMP CC(C)=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105577685 1366542163 /nfs/dbraw/zinc/54/21/63/1366542163.db2.gz YJAZIKCHOJQRSQ-RTBURBONSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106120465 1366612762 /nfs/dbraw/zinc/61/27/62/1366612762.db2.gz VZNWHEJRMZSFDQ-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001106210976 1366624610 /nfs/dbraw/zinc/62/46/10/1366624610.db2.gz LIBPTGPEBWIXBW-FBYXPACISA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001106210978 1366624618 /nfs/dbraw/zinc/62/46/18/1366624618.db2.gz LIBPTGPEBWIXBW-QSMUSEHHSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107407631 1366954703 /nfs/dbraw/zinc/95/47/03/1366954703.db2.gz DGZZUHZUIZSMIU-WIYYLYMNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C3CCCCC3)CCC[C@@H]12 ZINC001107483482 1366984909 /nfs/dbraw/zinc/98/49/09/1366984909.db2.gz ZZBQSGBIJUCIOT-TZIWHRDSSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)C3CCCCC3)CCC[C@@H]12 ZINC001107483482 1366984912 /nfs/dbraw/zinc/98/49/12/1366984912.db2.gz ZZBQSGBIJUCIOT-TZIWHRDSSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CC[C@@]2(CNC(=O)CC[N@@H+](C)C3CCCCC3)CCC[C@@H]12 ZINC001107483482 1366984921 /nfs/dbraw/zinc/98/49/21/1366984921.db2.gz ZZBQSGBIJUCIOT-TZIWHRDSSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1=CCCCC1)CC2 ZINC001107522780 1367017047 /nfs/dbraw/zinc/01/70/47/1367017047.db2.gz SXCCPQQDDHXAEP-TZIWHRDSSA-N 2 1 347.547 3.189 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107524003 1367017876 /nfs/dbraw/zinc/01/78/76/1367017876.db2.gz BPPXODJQSOXMPM-YHTLKTDXSA-N 2 1 335.536 3.045 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546707 1367036928 /nfs/dbraw/zinc/03/69/28/1367036928.db2.gz MKSAIYVGBXYIDZ-FBBABVLZSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546707 1367036932 /nfs/dbraw/zinc/03/69/32/1367036932.db2.gz MKSAIYVGBXYIDZ-FBBABVLZSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546707 1367036933 /nfs/dbraw/zinc/03/69/33/1367036933.db2.gz MKSAIYVGBXYIDZ-FBBABVLZSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001109307433 1367047894 /nfs/dbraw/zinc/04/78/94/1367047894.db2.gz KWYQWNJVOVFZDO-SPOLIRPYSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001109307433 1367047900 /nfs/dbraw/zinc/04/79/00/1367047900.db2.gz KWYQWNJVOVFZDO-SPOLIRPYSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001109307433 1367047904 /nfs/dbraw/zinc/04/79/04/1367047904.db2.gz KWYQWNJVOVFZDO-SPOLIRPYSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)(C)C)CC2 ZINC001107583094 1367057068 /nfs/dbraw/zinc/05/70/68/1367057068.db2.gz PHRXYJDDSZULJY-YLJYHZDGSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCC(C)(C)C)CC3)C1 ZINC001107609565 1367070124 /nfs/dbraw/zinc/07/01/24/1367070124.db2.gz XKLPLSSANQEQCQ-DBXWQHBBSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCC(C)(C)C)CC3)C1 ZINC001107609565 1367070127 /nfs/dbraw/zinc/07/01/27/1367070127.db2.gz XKLPLSSANQEQCQ-DBXWQHBBSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCC(C)(C)C)CC3)C1 ZINC001107609565 1367070132 /nfs/dbraw/zinc/07/01/32/1367070132.db2.gz XKLPLSSANQEQCQ-DBXWQHBBSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189646095 1367077325 /nfs/dbraw/zinc/07/73/25/1367077325.db2.gz HRWRJGSLTIVQAK-XUVXKRRUSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001189646095 1367077327 /nfs/dbraw/zinc/07/73/27/1367077327.db2.gz HRWRJGSLTIVQAK-XUVXKRRUSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189646095 1367077331 /nfs/dbraw/zinc/07/73/31/1367077331.db2.gz HRWRJGSLTIVQAK-XUVXKRRUSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCCC1)CC2 ZINC001107646141 1367090999 /nfs/dbraw/zinc/09/09/99/1367090999.db2.gz DXFKRHGLYNVITR-TZIWHRDSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCCC1)CC2 ZINC001107646141 1367091005 /nfs/dbraw/zinc/09/10/05/1367091005.db2.gz DXFKRHGLYNVITR-TZIWHRDSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCCC1)CC2 ZINC001107646141 1367091012 /nfs/dbraw/zinc/09/10/12/1367091012.db2.gz DXFKRHGLYNVITR-TZIWHRDSSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001109371649 1367091642 /nfs/dbraw/zinc/09/16/42/1367091642.db2.gz NYBNHSQNRYTDTD-XWSJACJDSA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001109371649 1367091648 /nfs/dbraw/zinc/09/16/48/1367091648.db2.gz NYBNHSQNRYTDTD-XWSJACJDSA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001109371649 1367091653 /nfs/dbraw/zinc/09/16/53/1367091653.db2.gz NYBNHSQNRYTDTD-XWSJACJDSA-N 2 1 335.536 3.163 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001109417886 1367112032 /nfs/dbraw/zinc/11/20/32/1367112032.db2.gz QKCMPDUECVQLBF-YRXWBPOGSA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1 ZINC001109417886 1367112036 /nfs/dbraw/zinc/11/20/36/1367112036.db2.gz QKCMPDUECVQLBF-YRXWBPOGSA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1 ZINC001109417886 1367112039 /nfs/dbraw/zinc/11/20/39/1367112039.db2.gz QKCMPDUECVQLBF-YRXWBPOGSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109520761 1367174628 /nfs/dbraw/zinc/17/46/28/1367174628.db2.gz YXSFPQAMMLEIRM-NEWSRXKRSA-N 2 1 340.471 3.106 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001186067825 1387858458 /nfs/dbraw/zinc/85/84/58/1387858458.db2.gz YQKAAVYBLOVQRQ-QGZVFWFLSA-N 2 1 334.508 3.167 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190177137 1367191152 /nfs/dbraw/zinc/19/11/52/1367191152.db2.gz PPQJGSSHAMAUNC-IPLHWJFFSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001186083234 1387861997 /nfs/dbraw/zinc/86/19/97/1387861997.db2.gz WHWBYUUSPHXLFL-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001109714573 1367289578 /nfs/dbraw/zinc/28/95/78/1367289578.db2.gz PEBMBCSELYLKGK-LPMJMLMNSA-N 2 1 335.536 3.185 20 0 EGADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1)[NH+](CC)CC ZINC001109714303 1367289726 /nfs/dbraw/zinc/28/97/26/1367289726.db2.gz GHSLBHHGOJRZIZ-HCXYKTFWSA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1)[NH+](CC)CC ZINC001109714304 1367289987 /nfs/dbraw/zinc/28/99/87/1367289987.db2.gz GHSLBHHGOJRZIZ-XWSJACJDSA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1)[NH+](CC)CC ZINC001109714342 1367290301 /nfs/dbraw/zinc/29/03/01/1367290301.db2.gz HLFIOWPPYHNXRR-FYQPLNBISA-N 2 1 343.515 3.029 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1)CC(C)(C)C ZINC001109724478 1367293698 /nfs/dbraw/zinc/29/36/98/1367293698.db2.gz VJRBFTAGELSGJI-QYZOEREBSA-N 2 1 347.547 3.186 20 0 EGADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1)CC(C)(C)C ZINC001109724478 1367293702 /nfs/dbraw/zinc/29/37/02/1367293702.db2.gz VJRBFTAGELSGJI-QYZOEREBSA-N 2 1 347.547 3.186 20 0 EGADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1)CC(C)(C)C ZINC001109724478 1367293707 /nfs/dbraw/zinc/29/37/07/1367293707.db2.gz VJRBFTAGELSGJI-QYZOEREBSA-N 2 1 347.547 3.186 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190656553 1367320661 /nfs/dbraw/zinc/32/06/61/1367320661.db2.gz UZYLGPKGVWCJSH-WWTANLFGSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190656553 1367320666 /nfs/dbraw/zinc/32/06/66/1367320666.db2.gz UZYLGPKGVWCJSH-WWTANLFGSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190656553 1367320672 /nfs/dbraw/zinc/32/06/72/1367320672.db2.gz UZYLGPKGVWCJSH-WWTANLFGSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798595 1367329383 /nfs/dbraw/zinc/32/93/83/1367329383.db2.gz JUDIOELLUJHNLX-FYQPLNBISA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001109798595 1367329388 /nfs/dbraw/zinc/32/93/88/1367329388.db2.gz JUDIOELLUJHNLX-FYQPLNBISA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001109798595 1367329393 /nfs/dbraw/zinc/32/93/93/1367329393.db2.gz JUDIOELLUJHNLX-FYQPLNBISA-N 2 1 349.563 3.407 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191506599 1367515877 /nfs/dbraw/zinc/51/58/77/1367515877.db2.gz ADJRWOCUYGJWPT-BGEOSOQGSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148093 1367525836 /nfs/dbraw/zinc/52/58/36/1367525836.db2.gz IKUYAOGIJWAXSQ-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110158501 1367530924 /nfs/dbraw/zinc/53/09/24/1367530924.db2.gz PWSUFGRQCOEOOZ-YDZRNGNQSA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001110158501 1367530926 /nfs/dbraw/zinc/53/09/26/1367530926.db2.gz PWSUFGRQCOEOOZ-YDZRNGNQSA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001110158501 1367530930 /nfs/dbraw/zinc/53/09/30/1367530930.db2.gz PWSUFGRQCOEOOZ-YDZRNGNQSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001110159150 1367531510 /nfs/dbraw/zinc/53/15/10/1367531510.db2.gz BGCKRKHJFNPPOC-QYZOEREBSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001110159150 1367531514 /nfs/dbraw/zinc/53/15/14/1367531514.db2.gz BGCKRKHJFNPPOC-QYZOEREBSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001110159150 1367531518 /nfs/dbraw/zinc/53/15/18/1367531518.db2.gz BGCKRKHJFNPPOC-QYZOEREBSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160408 1367533082 /nfs/dbraw/zinc/53/30/82/1367533082.db2.gz NOFAUZBCIVRAQG-FYQPLNBISA-N 2 1 343.515 3.201 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160408 1367533087 /nfs/dbraw/zinc/53/30/87/1367533087.db2.gz NOFAUZBCIVRAQG-FYQPLNBISA-N 2 1 343.515 3.201 20 0 EGADMP CC1CC(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+]2CCCC2)C3)C1 ZINC001110188779 1367555732 /nfs/dbraw/zinc/55/57/32/1367555732.db2.gz QGFAFNBPVRZEDA-PBDJWPIDSA-N 2 1 347.547 3.020 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CC)C2 ZINC001108794093 1367599819 /nfs/dbraw/zinc/59/98/19/1367599819.db2.gz NZCHEKZRFXXQTO-LNMLPRMJSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001108831461 1367624729 /nfs/dbraw/zinc/62/47/29/1367624729.db2.gz GDUPYYYXXQCUPO-LNMLPRMJSA-N 2 1 335.536 3.042 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(CC)CC)C2)C1 ZINC001191921788 1367639894 /nfs/dbraw/zinc/63/98/94/1367639894.db2.gz FSOWKCNXAGCNBJ-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CC(CC)CC)C2)C1 ZINC001191921788 1367639898 /nfs/dbraw/zinc/63/98/98/1367639898.db2.gz FSOWKCNXAGCNBJ-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(CC)CC)C2)C1 ZINC001191921788 1367639902 /nfs/dbraw/zinc/63/99/02/1367639902.db2.gz FSOWKCNXAGCNBJ-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001191923482 1367641218 /nfs/dbraw/zinc/64/12/18/1367641218.db2.gz WPBSCTQEIAQUEE-WWTANLFGSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001191923482 1367641221 /nfs/dbraw/zinc/64/12/21/1367641221.db2.gz WPBSCTQEIAQUEE-WWTANLFGSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001191923482 1367641222 /nfs/dbraw/zinc/64/12/22/1367641222.db2.gz WPBSCTQEIAQUEE-WWTANLFGSA-N 2 1 349.563 3.388 20 0 EGADMP CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191948148 1367646630 /nfs/dbraw/zinc/64/66/30/1367646630.db2.gz MDCGCTSZEBMSSE-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191948148 1367646640 /nfs/dbraw/zinc/64/66/40/1367646640.db2.gz MDCGCTSZEBMSSE-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191948148 1367646648 /nfs/dbraw/zinc/64/66/48/1367646648.db2.gz MDCGCTSZEBMSSE-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192016963 1367665295 /nfs/dbraw/zinc/66/52/95/1367665295.db2.gz KLWNNAGIUGZKCL-RTBURBONSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCC2)C1)[NH+](CC)CC ZINC001192323040 1367750827 /nfs/dbraw/zinc/75/08/27/1367750827.db2.gz AAIXQHKJDSCAAC-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192325624 1367752439 /nfs/dbraw/zinc/75/24/39/1367752439.db2.gz MGRCHCHWTLMSTQ-ZWKOTPCHSA-N 2 1 325.541 3.076 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192378712 1367768937 /nfs/dbraw/zinc/76/89/37/1367768937.db2.gz XORXTLUNZKWNHO-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CCCC(C)(C)C)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001192378712 1367768942 /nfs/dbraw/zinc/76/89/42/1367768942.db2.gz XORXTLUNZKWNHO-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CCCC(C)(C)C)[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001192378712 1367768945 /nfs/dbraw/zinc/76/89/45/1367768945.db2.gz XORXTLUNZKWNHO-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001110682905 1367925237 /nfs/dbraw/zinc/92/52/37/1367925237.db2.gz HVICFXZEPHZQFZ-NMLBUPMWSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001110682905 1367925240 /nfs/dbraw/zinc/92/52/40/1367925240.db2.gz HVICFXZEPHZQFZ-NMLBUPMWSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001110682905 1367925243 /nfs/dbraw/zinc/92/52/43/1367925243.db2.gz HVICFXZEPHZQFZ-NMLBUPMWSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001110765514 1367967514 /nfs/dbraw/zinc/96/75/14/1367967514.db2.gz BJBPQIOENGCDLF-KURKYZTESA-N 2 1 347.547 3.163 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@H]([NH+](C)CCC2CC2)C1)c1ccccc1 ZINC001193424560 1368026928 /nfs/dbraw/zinc/02/69/28/1368026928.db2.gz NEOYXNKMDTWWML-PMACEKPBSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCC2CC2)C1)c1ccccc1 ZINC001193424560 1368026932 /nfs/dbraw/zinc/02/69/32/1368026932.db2.gz NEOYXNKMDTWWML-PMACEKPBSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCC2CC2)C1)c1ccccc1 ZINC001193424560 1368026940 /nfs/dbraw/zinc/02/69/40/1368026940.db2.gz NEOYXNKMDTWWML-PMACEKPBSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2ccccc2C)C1 ZINC001193600940 1368070297 /nfs/dbraw/zinc/07/02/97/1368070297.db2.gz OXTLEZNJFAVGFF-RTBURBONSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001193600940 1368070304 /nfs/dbraw/zinc/07/03/04/1368070304.db2.gz OXTLEZNJFAVGFF-RTBURBONSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001193600940 1368070308 /nfs/dbraw/zinc/07/03/08/1368070308.db2.gz OXTLEZNJFAVGFF-RTBURBONSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CCC2=CCCCC2)C1 ZINC001193610700 1368072774 /nfs/dbraw/zinc/07/27/74/1368072774.db2.gz PSUMOBOAIAWJHQ-LJQANCHMSA-N 2 1 335.536 3.142 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC001193610700 1368072776 /nfs/dbraw/zinc/07/27/76/1368072776.db2.gz PSUMOBOAIAWJHQ-LJQANCHMSA-N 2 1 335.536 3.142 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC001193610700 1368072778 /nfs/dbraw/zinc/07/27/78/1368072778.db2.gz PSUMOBOAIAWJHQ-LJQANCHMSA-N 2 1 335.536 3.142 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CCC2CCCCCC2)C1 ZINC001193641022 1368081686 /nfs/dbraw/zinc/08/16/86/1368081686.db2.gz HDGDEDMZWCCEGQ-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CCC2CCCCCC2)C1 ZINC001193641022 1368081692 /nfs/dbraw/zinc/08/16/92/1368081692.db2.gz HDGDEDMZWCCEGQ-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCCCC2)C1 ZINC001193641022 1368081694 /nfs/dbraw/zinc/08/16/94/1368081694.db2.gz HDGDEDMZWCCEGQ-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C)[NH+](CC)CC ZINC001111018156 1368143810 /nfs/dbraw/zinc/14/38/10/1368143810.db2.gz LKGYZOMYKIWPKK-MKXGPGLRSA-N 2 1 337.552 3.265 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111028933 1368145552 /nfs/dbraw/zinc/14/55/52/1368145552.db2.gz XNKJKEGHYFHCSQ-POMXJBLMSA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001111028933 1368145559 /nfs/dbraw/zinc/14/55/59/1368145559.db2.gz XNKJKEGHYFHCSQ-POMXJBLMSA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111028933 1368145563 /nfs/dbraw/zinc/14/55/63/1368145563.db2.gz XNKJKEGHYFHCSQ-POMXJBLMSA-N 2 1 349.563 3.432 20 0 EGADMP C[N@@H+](CCC(C)(C)C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081928 1368180230 /nfs/dbraw/zinc/18/02/30/1368180230.db2.gz ZDHILVMVQLCINL-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001111233710 1368209454 /nfs/dbraw/zinc/20/94/54/1368209454.db2.gz VEJQIMXVOIADAT-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001111233710 1368209456 /nfs/dbraw/zinc/20/94/56/1368209456.db2.gz VEJQIMXVOIADAT-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001111233710 1368209462 /nfs/dbraw/zinc/20/94/62/1368209462.db2.gz VEJQIMXVOIADAT-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+](Cc1ccsc1)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194430833 1368260072 /nfs/dbraw/zinc/26/00/72/1368260072.db2.gz XWGSSMICIIISMF-GOSISDBHSA-N 2 1 349.544 3.047 20 0 EGADMP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194448959 1368264796 /nfs/dbraw/zinc/26/47/96/1368264796.db2.gz OVLQEAKZEQPRDJ-FQEVSTJZSA-N 2 1 345.531 3.231 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194448959 1368264798 /nfs/dbraw/zinc/26/47/98/1368264798.db2.gz OVLQEAKZEQPRDJ-FQEVSTJZSA-N 2 1 345.531 3.231 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194448959 1368264803 /nfs/dbraw/zinc/26/48/03/1368264803.db2.gz OVLQEAKZEQPRDJ-FQEVSTJZSA-N 2 1 345.531 3.231 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194448959 1368264804 /nfs/dbraw/zinc/26/48/04/1368264804.db2.gz OVLQEAKZEQPRDJ-FQEVSTJZSA-N 2 1 345.531 3.231 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001111465990 1368311005 /nfs/dbraw/zinc/31/10/05/1368311005.db2.gz BGCKRKHJFNPPOC-QRVBRYPASA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001111465990 1368311008 /nfs/dbraw/zinc/31/10/08/1368311008.db2.gz BGCKRKHJFNPPOC-QRVBRYPASA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001111465990 1368311010 /nfs/dbraw/zinc/31/10/10/1368311010.db2.gz BGCKRKHJFNPPOC-QRVBRYPASA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111459883 1368311385 /nfs/dbraw/zinc/31/13/85/1368311385.db2.gz JQFSJOYLEPYJKX-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494542 1368320755 /nfs/dbraw/zinc/32/07/55/1368320755.db2.gz VSIPNFRAXWUMKA-QRVBRYPASA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](CC(C)(C)C)C1)c1ccccc1 ZINC001195214465 1368402252 /nfs/dbraw/zinc/40/22/52/1368402252.db2.gz WVWDZRPISAJWFZ-MJGOQNOKSA-N 2 1 345.531 3.164 20 0 EGADMP C[NH+](C)C1(CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC2CCC2)C3)CCCC1 ZINC001111821592 1368482223 /nfs/dbraw/zinc/48/22/23/1368482223.db2.gz XZSXYEUDZJFOCB-RXVVDRJESA-N 2 1 347.547 3.022 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001111871676 1368519238 /nfs/dbraw/zinc/51/92/38/1368519238.db2.gz FDOXKNVDOHJYMZ-WMDOEDGGSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001111871676 1368519240 /nfs/dbraw/zinc/51/92/40/1368519240.db2.gz FDOXKNVDOHJYMZ-WMDOEDGGSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001111871676 1368519244 /nfs/dbraw/zinc/51/92/44/1368519244.db2.gz FDOXKNVDOHJYMZ-WMDOEDGGSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196155165 1368558703 /nfs/dbraw/zinc/55/87/03/1368558703.db2.gz LWXVSNULKADCDD-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001196155165 1368558712 /nfs/dbraw/zinc/55/87/12/1368558712.db2.gz LWXVSNULKADCDD-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001196155165 1368558714 /nfs/dbraw/zinc/55/87/14/1368558714.db2.gz LWXVSNULKADCDD-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947616 1368570162 /nfs/dbraw/zinc/57/01/62/1368570162.db2.gz RPNUYXFBHNPCOP-HOHWPDKRSA-N 2 1 335.536 3.045 20 0 EGADMP CCC(CC)C[N@H+]1CCCN(C(=O)[C@H](CC(C)C)n2ccnc2)CC1 ZINC001196243159 1368574080 /nfs/dbraw/zinc/57/40/80/1368574080.db2.gz WRWJASNZCOFLQH-IBGZPJMESA-N 2 1 348.535 3.441 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)[C@H](CC(C)C)n2ccnc2)CC1 ZINC001196243104 1368574857 /nfs/dbraw/zinc/57/48/57/1368574857.db2.gz TZLKJSLNTHCIRY-SFHVURJKSA-N 2 1 334.508 3.195 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001196423489 1368613330 /nfs/dbraw/zinc/61/33/30/1368613330.db2.gz LZDFHAJBXTXXPU-PLNGDYQASA-N 2 1 340.471 3.229 20 0 EGADMP CC[C@@H](C(=O)N1CCC[N@@H+](CCC(C)(C)C)CC1)[NH+](CC)CC ZINC001197141674 1368753727 /nfs/dbraw/zinc/75/37/27/1368753727.db2.gz MAOSWAIWTMHCBL-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001112359688 1368790440 /nfs/dbraw/zinc/79/04/40/1368790440.db2.gz FKSAAKNWZGERRV-UWVAXJGDSA-N 2 1 346.519 3.025 20 0 EGADMP CCC(CC)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001112401370 1368825634 /nfs/dbraw/zinc/82/56/34/1368825634.db2.gz AGGFCAUJRTZHKN-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@H+](C/C=C/Cl)CC1 ZINC001197794872 1368897934 /nfs/dbraw/zinc/89/79/34/1368897934.db2.gz NKANSQOLULYBOV-RMKNXTFCSA-N 2 1 343.943 3.175 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](C/C=C/Cl)CC1 ZINC001197794872 1368897940 /nfs/dbraw/zinc/89/79/40/1368897940.db2.gz NKANSQOLULYBOV-RMKNXTFCSA-N 2 1 343.943 3.175 20 0 EGADMP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001112530552 1368916065 /nfs/dbraw/zinc/91/60/65/1368916065.db2.gz ZUAMYBKDPRKWFJ-RXVVDRJESA-N 2 1 349.563 3.127 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CCC)C2 ZINC001112568122 1368930604 /nfs/dbraw/zinc/93/06/04/1368930604.db2.gz YPUVCLBRQTUVFE-QGELVWPYSA-N 2 1 349.563 3.293 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198229839 1368984307 /nfs/dbraw/zinc/98/43/07/1368984307.db2.gz PLWOWLSPGSHOIW-IBGZPJMESA-N 2 1 343.515 3.158 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001198244308 1368988087 /nfs/dbraw/zinc/98/80/87/1368988087.db2.gz WPRZFRWYYWVIDI-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CC/C=C\CC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001112855280 1369049364 /nfs/dbraw/zinc/04/93/64/1369049364.db2.gz QHPTXJFXKRNCLL-LLHWWHOWSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+](CC3CC3)CC2)CC1 ZINC001186604916 1387984190 /nfs/dbraw/zinc/98/41/90/1387984190.db2.gz IFDHVPAYBXGUDH-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@H+](CC3CC3)CC2)CC1 ZINC001186604916 1387984192 /nfs/dbraw/zinc/98/41/92/1387984192.db2.gz IFDHVPAYBXGUDH-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC001186604916 1387984199 /nfs/dbraw/zinc/98/41/99/1387984199.db2.gz IFDHVPAYBXGUDH-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001186605930 1387985149 /nfs/dbraw/zinc/98/51/49/1387985149.db2.gz WFHMZIDEPLGWDN-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)CC1 ZINC001186605967 1387985599 /nfs/dbraw/zinc/98/55/99/1387985599.db2.gz XJIJKFUWJRJKEX-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001186605967 1387985604 /nfs/dbraw/zinc/98/56/04/1387985604.db2.gz XJIJKFUWJRJKEX-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC001186605967 1387985608 /nfs/dbraw/zinc/98/56/08/1387985608.db2.gz XJIJKFUWJRJKEX-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(OC)ccc2OC(F)F)C1 ZINC001199844246 1369279498 /nfs/dbraw/zinc/27/94/98/1369279498.db2.gz WUNYZZWSWSEKRH-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(OC)ccc2OC(F)F)C1 ZINC001199844246 1369279504 /nfs/dbraw/zinc/27/95/04/1369279504.db2.gz WUNYZZWSWSEKRH-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP CC(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001200578132 1369393751 /nfs/dbraw/zinc/39/37/51/1369393751.db2.gz MOXIIMRYOZXZSB-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC([NH2+]CC(CC)CC)CC1 ZINC001200643613 1369404776 /nfs/dbraw/zinc/40/47/76/1369404776.db2.gz DZQJHUVEUOATRV-MRXNPFEDSA-N 2 1 348.535 3.413 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)c1ccccc1 ZINC001113529207 1369479666 /nfs/dbraw/zinc/47/96/66/1369479666.db2.gz IJOVGLUDXKWDDB-IBGZPJMESA-N 2 1 345.531 3.260 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)c1ccccc1 ZINC001113529207 1369479668 /nfs/dbraw/zinc/47/96/68/1369479668.db2.gz IJOVGLUDXKWDDB-IBGZPJMESA-N 2 1 345.531 3.260 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)N1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC001113529545 1369479675 /nfs/dbraw/zinc/47/96/75/1369479675.db2.gz VIYOTTCCEVBTKM-HXUWFJFHSA-N 2 1 343.515 3.014 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC001113529545 1369479677 /nfs/dbraw/zinc/47/96/77/1369479677.db2.gz VIYOTTCCEVBTKM-HXUWFJFHSA-N 2 1 343.515 3.014 20 0 EGADMP CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001201229894 1369500363 /nfs/dbraw/zinc/50/03/63/1369500363.db2.gz HNTSEZDECGBOIB-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CN1CC[NH+](Cc2ccc(Nc3cccc(C[NH+](C)C)c3)cc2)CC1 ZINC001201397237 1369536403 /nfs/dbraw/zinc/53/64/03/1369536403.db2.gz VEVNDVRLCYDYTB-UHFFFAOYSA-N 2 1 338.499 3.239 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001201505527 1369558378 /nfs/dbraw/zinc/55/83/78/1369558378.db2.gz ZVNNBWQXWZZRPF-PKOBYXMFSA-N 2 1 331.504 3.183 20 0 EGADMP CCCCC[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001201735017 1369613807 /nfs/dbraw/zinc/61/38/07/1369613807.db2.gz MNMFZBQYFIMHKT-UHFFFAOYSA-N 2 1 331.504 3.186 20 0 EGADMP CCCCC[NH2+]C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001201818570 1369627966 /nfs/dbraw/zinc/62/79/66/1369627966.db2.gz PWVFRDULSKIQFY-UHFFFAOYSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001202145016 1369701371 /nfs/dbraw/zinc/70/13/71/1369701371.db2.gz PFHJETKOJDLILM-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)=CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001202156539 1369702720 /nfs/dbraw/zinc/70/27/20/1369702720.db2.gz GROBPDXFFISIDJ-FQEVSTJZSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CC3CCCC3)CC[C@@H]21 ZINC001202159462 1369703392 /nfs/dbraw/zinc/70/33/92/1369703392.db2.gz AZKUPPGMGAOQQE-AABGKKOBSA-N 2 1 330.520 3.247 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](CC3CCCC3)CC[C@@H]21 ZINC001202159462 1369703395 /nfs/dbraw/zinc/70/33/95/1369703395.db2.gz AZKUPPGMGAOQQE-AABGKKOBSA-N 2 1 330.520 3.247 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](CC3CCCC3)CC[C@@H]21 ZINC001202159462 1369703398 /nfs/dbraw/zinc/70/33/98/1369703398.db2.gz AZKUPPGMGAOQQE-AABGKKOBSA-N 2 1 330.520 3.247 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001202486483 1369786862 /nfs/dbraw/zinc/78/68/62/1369786862.db2.gz NSVRAEWKDWDTDP-OGWHTMIXSA-N 2 1 334.529 3.317 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001202486483 1369786864 /nfs/dbraw/zinc/78/68/64/1369786864.db2.gz NSVRAEWKDWDTDP-OGWHTMIXSA-N 2 1 334.529 3.317 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001202486483 1369786869 /nfs/dbraw/zinc/78/68/69/1369786869.db2.gz NSVRAEWKDWDTDP-OGWHTMIXSA-N 2 1 334.529 3.317 20 0 EGADMP C(OC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CC1CCC1)C2)C1CC1 ZINC001202723173 1369866662 /nfs/dbraw/zinc/86/66/62/1369866662.db2.gz ZKTUCTWJAUXASS-SFTDATJTSA-N 2 1 332.532 3.247 20 0 EGADMP C(OC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CC1CCC1)C2)C1CC1 ZINC001202723173 1369866666 /nfs/dbraw/zinc/86/66/66/1369866666.db2.gz ZKTUCTWJAUXASS-SFTDATJTSA-N 2 1 332.532 3.247 20 0 EGADMP C(OC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CC1CCC1)C2)C1CC1 ZINC001202723173 1369866670 /nfs/dbraw/zinc/86/66/70/1369866670.db2.gz ZKTUCTWJAUXASS-SFTDATJTSA-N 2 1 332.532 3.247 20 0 EGADMP C(OC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CC1CCC1)C2)C1CC1 ZINC001202723171 1369866843 /nfs/dbraw/zinc/86/68/43/1369866843.db2.gz ZKTUCTWJAUXASS-RTWAWAEBSA-N 2 1 332.532 3.247 20 0 EGADMP C(OC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CC1CCC1)C2)C1CC1 ZINC001202723171 1369866844 /nfs/dbraw/zinc/86/68/44/1369866844.db2.gz ZKTUCTWJAUXASS-RTWAWAEBSA-N 2 1 332.532 3.247 20 0 EGADMP C(OC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CC1CCC1)C2)C1CC1 ZINC001202723171 1369866848 /nfs/dbraw/zinc/86/68/48/1369866848.db2.gz ZKTUCTWJAUXASS-RTWAWAEBSA-N 2 1 332.532 3.247 20 0 EGADMP CCC1(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)COC1 ZINC001202957966 1369936632 /nfs/dbraw/zinc/93/66/32/1369936632.db2.gz IXJVPNASORWEGI-UHFFFAOYSA-N 2 1 345.874 3.437 20 0 EGADMP CN(CC[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C)C(=O)OC(C)(C)C ZINC001203001245 1369950465 /nfs/dbraw/zinc/95/04/65/1369950465.db2.gz YEZURLNPVHEXPP-IRXDYDNUSA-N 2 1 339.524 3.192 20 0 EGADMP CN(CC[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C)C(=O)OC(C)(C)C ZINC001203001245 1369950466 /nfs/dbraw/zinc/95/04/66/1369950466.db2.gz YEZURLNPVHEXPP-IRXDYDNUSA-N 2 1 339.524 3.192 20 0 EGADMP CN(CC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C)C(=O)OC(C)(C)C ZINC001203001245 1369950469 /nfs/dbraw/zinc/95/04/69/1369950469.db2.gz YEZURLNPVHEXPP-IRXDYDNUSA-N 2 1 339.524 3.192 20 0 EGADMP CN(CC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C)C(=O)OC(C)(C)C ZINC001203001245 1369950471 /nfs/dbraw/zinc/95/04/71/1369950471.db2.gz YEZURLNPVHEXPP-IRXDYDNUSA-N 2 1 339.524 3.192 20 0 EGADMP Cc1cncc(CN2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001203174806 1370009640 /nfs/dbraw/zinc/00/96/40/1370009640.db2.gz HBUOEYOYQKPEFR-UYWIDEMCSA-N 2 1 338.499 3.180 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC([NH2+]CCC(C)C)CC1)c1ccccc1 ZINC001203313145 1370078158 /nfs/dbraw/zinc/07/81/58/1370078158.db2.gz MHDSWKSWIWMPDF-FQEVSTJZSA-N 2 1 345.531 3.306 20 0 EGADMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4Cl)C[C@H]3C2)cn1 ZINC001203381998 1370106683 /nfs/dbraw/zinc/10/66/83/1370106683.db2.gz OPKCEZLDKJCTPG-SJLPKXTDSA-N 2 1 344.890 3.027 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4Cl)C[C@H]3C2)cn1 ZINC001203381998 1370106684 /nfs/dbraw/zinc/10/66/84/1370106684.db2.gz OPKCEZLDKJCTPG-SJLPKXTDSA-N 2 1 344.890 3.027 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4Cl)C[C@H]3C2)cn1 ZINC001203381998 1370106685 /nfs/dbraw/zinc/10/66/85/1370106685.db2.gz OPKCEZLDKJCTPG-SJLPKXTDSA-N 2 1 344.890 3.027 20 0 EGADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4Cl)C[C@H]3C2)cn1 ZINC001203381998 1370106687 /nfs/dbraw/zinc/10/66/87/1370106687.db2.gz OPKCEZLDKJCTPG-SJLPKXTDSA-N 2 1 344.890 3.027 20 0 EGADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4Cl)C[C@H]3C2)cn1 ZINC001203381998 1370106690 /nfs/dbraw/zinc/10/66/90/1370106690.db2.gz OPKCEZLDKJCTPG-SJLPKXTDSA-N 2 1 344.890 3.027 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417715 1370117972 /nfs/dbraw/zinc/11/79/72/1370117972.db2.gz BMOUQZYJKKPGEN-MSOLQXFVSA-N 2 1 349.563 3.172 20 0 EGADMP CCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428235 1370122096 /nfs/dbraw/zinc/12/20/96/1370122096.db2.gz XFJXBUVXXACDHY-IAGOWNOFSA-N 2 1 337.552 3.172 20 0 EGADMP CCCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203451157 1370131294 /nfs/dbraw/zinc/13/12/94/1370131294.db2.gz IPICZXHCMUBCBN-IAGOWNOFSA-N 2 1 346.519 3.214 20 0 EGADMP CC(C)CC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203453026 1370131873 /nfs/dbraw/zinc/13/18/73/1370131873.db2.gz QQSAOAGOHZPFBH-SJORKVTESA-N 2 1 346.519 3.070 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203642789 1370198719 /nfs/dbraw/zinc/19/87/19/1370198719.db2.gz YUBHWXSUAYJMHZ-RBUKOAKNSA-N 2 1 349.563 3.316 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1C)C2 ZINC001203700626 1370225973 /nfs/dbraw/zinc/22/59/73/1370225973.db2.gz GVWITKXVIANEGW-SFTDATJTSA-N 2 1 328.500 3.175 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccc1C)C2 ZINC001203700626 1370225978 /nfs/dbraw/zinc/22/59/78/1370225978.db2.gz GVWITKXVIANEGW-SFTDATJTSA-N 2 1 328.500 3.175 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1C)C2 ZINC001203700626 1370225986 /nfs/dbraw/zinc/22/59/86/1370225986.db2.gz GVWITKXVIANEGW-SFTDATJTSA-N 2 1 328.500 3.175 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H](C)CC(C)C)CC1 ZINC001203904527 1370308333 /nfs/dbraw/zinc/30/83/33/1370308333.db2.gz ZMOMVDNLQGOPCK-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5c(c4)CCO5)C[C@@H]3C2)c1 ZINC001204489235 1370489592 /nfs/dbraw/zinc/48/95/92/1370489592.db2.gz JEOAWQHKWWVACP-QZTJIDSGSA-N 2 1 340.492 3.247 20 0 EGADMP CCC[N@@H+](CC)Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001204611485 1370529774 /nfs/dbraw/zinc/52/97/74/1370529774.db2.gz NYQLQMXNVROLCO-UHFFFAOYSA-N 2 1 340.309 3.091 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC3CCCCC3)CCCCC2)CC[N@H+]1C ZINC001115544853 1370541791 /nfs/dbraw/zinc/54/17/91/1370541791.db2.gz FIHVAGMBVDQDDC-IEBWSBKVSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]C[C@@H](F)CC)CCCCC1 ZINC001115563417 1370562747 /nfs/dbraw/zinc/56/27/47/1370562747.db2.gz UDZKJOQUPHOWSH-DLBZAZTESA-N 2 1 341.515 3.018 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCCCC1 ZINC001115563354 1370563172 /nfs/dbraw/zinc/56/31/72/1370563172.db2.gz SDADRDMQWROZID-DLBZAZTESA-N 2 1 341.515 3.018 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115579254 1370582951 /nfs/dbraw/zinc/58/29/51/1370582951.db2.gz DTYMXUOIKAYLSJ-LJQANCHMSA-N 2 1 349.563 3.460 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC001115579281 1370582979 /nfs/dbraw/zinc/58/29/79/1370582979.db2.gz GKHKZXJTQDJULR-JCSUNJAGSA-N 2 1 341.927 3.022 20 0 EGADMP Cc1ccccc1OC1CC[NH+](C[C@@H]2[C@H](C)C[NH2+]CC2(F)F)CC1 ZINC001204869694 1370593901 /nfs/dbraw/zinc/59/39/01/1370593901.db2.gz GQRZCHVBONLMNS-NVXWUHKLSA-N 2 1 338.442 3.329 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001204897305 1370599967 /nfs/dbraw/zinc/59/99/67/1370599967.db2.gz WKNMOWUAAHNOMG-MRXNPFEDSA-N 2 1 339.458 3.135 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001204897305 1370599971 /nfs/dbraw/zinc/59/99/71/1370599971.db2.gz WKNMOWUAAHNOMG-MRXNPFEDSA-N 2 1 339.458 3.135 20 0 EGADMP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccc2c(c1)C[NH2+]C2 ZINC001204897305 1370599975 /nfs/dbraw/zinc/59/99/75/1370599975.db2.gz WKNMOWUAAHNOMG-MRXNPFEDSA-N 2 1 339.458 3.135 20 0 EGADMP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1Cc1ccc2c(c1)C[NH2+]C2 ZINC001204897305 1370599979 /nfs/dbraw/zinc/59/99/79/1370599979.db2.gz WKNMOWUAAHNOMG-MRXNPFEDSA-N 2 1 339.458 3.135 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CC3CCCC3)CCCCC2)CC[N@H+]1C ZINC001115692233 1370673810 /nfs/dbraw/zinc/67/38/10/1370673810.db2.gz LBHXUYPUINFGHW-HKUYNNGSSA-N 2 1 349.563 3.316 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@H+](Cc2c(Cl)ccc(Cl)c2Cl)CC1 ZINC001205239697 1370691953 /nfs/dbraw/zinc/69/19/53/1370691953.db2.gz CKLVEQPJRDNFKZ-AWEZNQCLSA-N 2 1 337.678 3.323 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2c(Cl)ccc(Cl)c2Cl)CC1 ZINC001205239697 1370691958 /nfs/dbraw/zinc/69/19/58/1370691958.db2.gz CKLVEQPJRDNFKZ-AWEZNQCLSA-N 2 1 337.678 3.323 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205242588 1370692879 /nfs/dbraw/zinc/69/28/79/1370692879.db2.gz RYYAUUDSEIWWRW-SFFCAUCYSA-N 2 1 335.536 3.044 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)CC1 ZINC001205255072 1370697283 /nfs/dbraw/zinc/69/72/83/1370697283.db2.gz GAVAJZMGSVOTJD-LJQANCHMSA-N 2 1 345.874 3.078 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)ccc1OC(=O)C(C)C ZINC001205281864 1370705022 /nfs/dbraw/zinc/70/50/22/1370705022.db2.gz ZAUXZBZYXOTYGE-FQEVSTJZSA-N 2 1 348.487 3.350 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc3ccc(Br)cc3[nH]2)C[C@H]1C[NH3+] ZINC001205304704 1370714809 /nfs/dbraw/zinc/71/48/09/1370714809.db2.gz PGIKLWQJVUOKFA-DGCLKSJQSA-N 2 1 336.277 3.347 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(O)c(OCc3ccccc3)c2)C[C@H]1C[NH3+] ZINC001205317345 1370719100 /nfs/dbraw/zinc/71/91/00/1370719100.db2.gz OCLKKAXBSWDVHG-QFBILLFUSA-N 2 1 340.467 3.388 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2C)CCCCC1 ZINC001115773165 1370756446 /nfs/dbraw/zinc/75/64/46/1370756446.db2.gz PPWWWLWEYJCMQR-UHFFFAOYSA-N 2 1 334.508 3.181 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001205519087 1370778577 /nfs/dbraw/zinc/77/85/77/1370778577.db2.gz UWDLMCVPXGJZMT-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP COc1ccc(-c2ncc(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)s2)cc1 ZINC001205559541 1370790953 /nfs/dbraw/zinc/79/09/53/1370790953.db2.gz RUCVDPJMHCRYNX-SFHVURJKSA-N 2 1 349.475 3.472 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)CC1 ZINC001205558112 1370791547 /nfs/dbraw/zinc/79/15/47/1370791547.db2.gz BWUPJFUSEITQGQ-GOSISDBHSA-N 2 1 348.853 3.450 20 0 EGADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205578583 1370797845 /nfs/dbraw/zinc/79/78/45/1370797845.db2.gz GGENMCJHGOUNIX-OAHLLOKOSA-N 2 1 329.257 3.410 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)CC[C@H]1C[NH3+] ZINC001205618020 1370812289 /nfs/dbraw/zinc/81/22/89/1370812289.db2.gz QPYUJABIFBZHES-RDJZCZTQSA-N 2 1 326.444 3.076 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cccc(Oc3ncccn3)c2)CC[C@@H]1C[NH3+] ZINC001205618214 1370812851 /nfs/dbraw/zinc/81/28/51/1370812851.db2.gz STDUYXHXNXGFJY-DOTOQJQBSA-N 2 1 326.444 3.076 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205626843 1370816257 /nfs/dbraw/zinc/81/62/57/1370816257.db2.gz JTUHROFWWKDFEL-QWHCGFSZSA-N 2 1 346.393 3.401 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC[C@@H]1C[NH3+] ZINC001205629538 1370817106 /nfs/dbraw/zinc/81/71/06/1370817106.db2.gz ZTIPMOFNOYVDAT-MAUKXSAKSA-N 2 1 332.488 3.449 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC[C@@H]1C[NH3+] ZINC001205629537 1370817241 /nfs/dbraw/zinc/81/72/41/1370817241.db2.gz ZTIPMOFNOYVDAT-CRAIPNDOSA-N 2 1 332.488 3.449 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CC[C@@H]1C[NH3+] ZINC001205652441 1370828987 /nfs/dbraw/zinc/82/89/87/1370828987.db2.gz PPYOFZIMUYPARK-VXGBXAGGSA-N 2 1 340.393 3.389 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(OC)c1Cl ZINC001205651205 1370829370 /nfs/dbraw/zinc/82/93/70/1370829370.db2.gz BBMFRANMXWINFS-CHWSQXEVSA-N 2 1 326.868 3.164 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccccc2Oc2ccc(F)cc2)C1 ZINC001205681489 1370841177 /nfs/dbraw/zinc/84/11/77/1370841177.db2.gz KGRLDRYWJDIRGS-FQEVSTJZSA-N 2 1 344.430 3.294 20 0 EGADMP Cc1cccc(-c2ccc(C[N@H+]3CCCC[C@@](O)(C[NH3+])C3)cn2)c1C ZINC001205726829 1370853393 /nfs/dbraw/zinc/85/33/93/1370853393.db2.gz YABSUNGSMCIHSL-OAQYLSRUSA-N 2 1 339.483 3.041 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)nc2)C1 ZINC001205725926 1370853805 /nfs/dbraw/zinc/85/38/05/1370853805.db2.gz NHQPNINJAGPGNS-IBGZPJMESA-N 2 1 345.874 3.078 20 0 EGADMP Cc1c[nH+]c2ccccc2c1NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001116302735 1370882031 /nfs/dbraw/zinc/88/20/31/1370882031.db2.gz DZMIODJXSCMHCM-CALCHBBNSA-N 2 1 327.472 3.266 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc2c1NC(C)(C)C=C2 ZINC001205924439 1370912735 /nfs/dbraw/zinc/91/27/35/1370912735.db2.gz SYWSFBCIUPKRDH-RHSMWYFYSA-N 2 1 329.488 3.472 20 0 EGADMP C[C@@H]1C[N@@H+](CCc2cccc(Br)c2)CCC[C@H]1C[NH3+] ZINC001205985355 1370929762 /nfs/dbraw/zinc/92/97/62/1370929762.db2.gz XWCKFFJLYMZYRP-HIFRSBDPSA-N 2 1 325.294 3.298 20 0 EGADMP C[C@H]1C[N@@H+](CCc2cccc(Br)c2)CCC[C@@H]1C[NH3+] ZINC001205985353 1370930052 /nfs/dbraw/zinc/93/00/52/1370930052.db2.gz XWCKFFJLYMZYRP-DZGCQCFKSA-N 2 1 325.294 3.298 20 0 EGADMP C[NH2+][C@@H](C)CC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC001326035131 1388103266 /nfs/dbraw/zinc/10/32/66/1388103266.db2.gz FRRDUARKZJINTR-FZMZJTMJSA-N 2 1 327.266 3.250 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(Br)c2)CCC[C@@H]1C[NH3+] ZINC001205995852 1370933136 /nfs/dbraw/zinc/93/31/36/1370933136.db2.gz RDDGTVKSKROMSQ-DGCLKSJQSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(Oc3ncccn3)cc2)CCC[C@H]1C[NH3+] ZINC001206005882 1370936475 /nfs/dbraw/zinc/93/64/75/1370936475.db2.gz ZDOKBKVDZIQKTF-RDJZCZTQSA-N 2 1 326.444 3.076 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cc(Cl)cnc2Br)CCC[C@@H]1C[NH3+] ZINC001206011209 1370937108 /nfs/dbraw/zinc/93/71/08/1370937108.db2.gz APXSCDZAJLLUOX-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)cnc2Br)CCC[C@@H]1C[NH3+] ZINC001206011209 1370937109 /nfs/dbraw/zinc/93/71/09/1370937109.db2.gz APXSCDZAJLLUOX-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CCC[C@@H]1C[NH3+] ZINC001206022171 1370940488 /nfs/dbraw/zinc/94/04/88/1370940488.db2.gz BLMFSDBKUZDVEL-CHWSQXEVSA-N 2 1 333.863 3.401 20 0 EGADMP CC(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001206023438 1370941015 /nfs/dbraw/zinc/94/10/15/1370941015.db2.gz QAGTUGAOMKZRKW-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP COc1cccc(Br)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206028246 1370943483 /nfs/dbraw/zinc/94/34/83/1370943483.db2.gz XXTJWFSHKLDCPS-CHWSQXEVSA-N 2 1 341.293 3.265 20 0 EGADMP Cc1nc(C[NH+]2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)co1 ZINC001206054936 1370949133 /nfs/dbraw/zinc/94/91/33/1370949133.db2.gz OEGAXBPDUIFBFK-UHFFFAOYSA-N 2 1 340.471 3.255 20 0 EGADMP Cc1nc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)co1 ZINC001206054936 1370949135 /nfs/dbraw/zinc/94/91/35/1370949135.db2.gz OEGAXBPDUIFBFK-UHFFFAOYSA-N 2 1 340.471 3.255 20 0 EGADMP Fc1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc(N2CCCC2)c1 ZINC001206113897 1370962593 /nfs/dbraw/zinc/96/25/93/1370962593.db2.gz PPWPJLDOJARFHU-UHFFFAOYSA-N 2 1 336.414 3.427 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)CC[C@H]1F ZINC001206196621 1370989883 /nfs/dbraw/zinc/98/98/83/1370989883.db2.gz CIYLOGUZLMWHMC-NVXWUHKLSA-N 2 1 335.373 3.288 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)CC[C@H]1F ZINC001206196621 1370989889 /nfs/dbraw/zinc/98/98/89/1370989889.db2.gz CIYLOGUZLMWHMC-NVXWUHKLSA-N 2 1 335.373 3.288 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206210100 1370992774 /nfs/dbraw/zinc/99/27/74/1370992774.db2.gz JZHWJZZETJVUNF-QZTJIDSGSA-N 2 1 329.419 3.018 20 0 EGADMP COc1ccc(-c2ccncc2)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206211296 1370993969 /nfs/dbraw/zinc/99/39/69/1370993969.db2.gz NBURDAGLGQNPTR-MOPGFXCFSA-N 2 1 329.419 3.018 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001206274668 1371010045 /nfs/dbraw/zinc/01/00/45/1371010045.db2.gz LFGUZNAMJQPFFW-SFHVURJKSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]CC2=CCCCC2)CC1)CC(C)(C)C ZINC001206300872 1371014905 /nfs/dbraw/zinc/01/49/05/1371014905.db2.gz FMVCEEUSFYWGEB-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1)CC(C)(C)C ZINC001206301268 1371015322 /nfs/dbraw/zinc/01/53/22/1371015322.db2.gz MAWGDHBZMYOTML-UHFFFAOYSA-N 2 1 339.568 3.229 20 0 EGADMP Cc1ncc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1Br ZINC001206324400 1371022803 /nfs/dbraw/zinc/02/28/03/1371022803.db2.gz AMRAVCGORXXIHH-OAHLLOKOSA-N 2 1 326.282 3.103 20 0 EGADMP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206548949 1371090462 /nfs/dbraw/zinc/09/04/62/1371090462.db2.gz SJGZXBOOOXTILB-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001206603141 1371106028 /nfs/dbraw/zinc/10/60/28/1371106028.db2.gz LARFARYLDZJJPT-UHFFFAOYSA-N 2 1 348.535 3.380 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206641563 1371116404 /nfs/dbraw/zinc/11/64/04/1371116404.db2.gz YQPMXBLGCXJAQJ-OAHLLOKOSA-N 2 1 343.471 3.214 20 0 EGADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC001118121239 1371132824 /nfs/dbraw/zinc/13/28/24/1371132824.db2.gz CPRMWMMPWUHPBL-LSDHHAIUSA-N 2 1 338.517 3.052 20 0 EGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC001118121237 1371133395 /nfs/dbraw/zinc/13/33/95/1371133395.db2.gz CPRMWMMPWUHPBL-GJZGRUSLSA-N 2 1 338.517 3.052 20 0 EGADMP CC[C@@]1(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC[NH2+]C1 ZINC001118216338 1371148112 /nfs/dbraw/zinc/14/81/12/1371148112.db2.gz GHYWTOJRKMDTDS-OXJNMPFZSA-N 2 1 329.488 3.247 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206769277 1371158531 /nfs/dbraw/zinc/15/85/31/1371158531.db2.gz OANJKXJDKSJZNP-NWDGAFQWSA-N 2 1 332.366 3.153 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206769277 1371158534 /nfs/dbraw/zinc/15/85/34/1371158534.db2.gz OANJKXJDKSJZNP-NWDGAFQWSA-N 2 1 332.366 3.153 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1OC(F)(F)F ZINC001206769665 1371159954 /nfs/dbraw/zinc/15/99/54/1371159954.db2.gz PECFPVLADIOAPY-AAEUAGOBSA-N 2 1 332.366 3.153 20 0 EGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(F)cc1OC(F)F ZINC001118304371 1371160834 /nfs/dbraw/zinc/16/08/34/1371160834.db2.gz GACZUJQIANMWMM-NSHDSACASA-N 2 1 327.350 3.444 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001206889600 1371209595 /nfs/dbraw/zinc/20/95/95/1371209595.db2.gz ZJSMFZASOMQWDK-SFHVURJKSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001206890233 1371209999 /nfs/dbraw/zinc/20/99/99/1371209999.db2.gz HLGFXHLPRXTAGJ-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP O=c1[nH]cccc1C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001207010856 1371265986 /nfs/dbraw/zinc/26/59/86/1371265986.db2.gz YMBUJEGSLMEPAF-NRFANRHFSA-N 2 1 337.467 3.275 20 0 EGADMP O=c1[nH]cccc1C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001207010856 1371265991 /nfs/dbraw/zinc/26/59/91/1371265991.db2.gz YMBUJEGSLMEPAF-NRFANRHFSA-N 2 1 337.467 3.275 20 0 EGADMP O=c1[nH]cccc1C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001207010856 1371265994 /nfs/dbraw/zinc/26/59/94/1371265994.db2.gz YMBUJEGSLMEPAF-NRFANRHFSA-N 2 1 337.467 3.275 20 0 EGADMP Fc1cncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1 ZINC001207023398 1371270260 /nfs/dbraw/zinc/27/02/60/1371270260.db2.gz PYUHEEBZFPUQDF-UHFFFAOYSA-N 2 1 329.419 3.302 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cc2)cn1 ZINC001326201911 1388126954 /nfs/dbraw/zinc/12/69/54/1388126954.db2.gz LQTWHLPHPIIPJO-WOJBJXKFSA-N 2 1 338.499 3.299 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001207282184 1371350462 /nfs/dbraw/zinc/35/04/62/1371350462.db2.gz NNXBXMDHKWTQSH-UHFFFAOYSA-N 3 1 333.520 3.155 20 0 EGADMP CN(C)CC(C)(C)C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001207282184 1371350468 /nfs/dbraw/zinc/35/04/68/1371350468.db2.gz NNXBXMDHKWTQSH-UHFFFAOYSA-N 2 1 333.520 3.155 20 0 EGADMP CN(C)CC(C)(C)C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001207282184 1371350472 /nfs/dbraw/zinc/35/04/72/1371350472.db2.gz NNXBXMDHKWTQSH-UHFFFAOYSA-N 2 1 333.520 3.155 20 0 EGADMP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC001119524148 1371361930 /nfs/dbraw/zinc/36/19/30/1371361930.db2.gz DTJJZJSULFEVKY-GOSISDBHSA-N 2 1 329.488 3.136 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC001119524148 1371361937 /nfs/dbraw/zinc/36/19/37/1371361937.db2.gz DTJJZJSULFEVKY-GOSISDBHSA-N 2 1 329.488 3.136 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207435226 1371395664 /nfs/dbraw/zinc/39/56/64/1371395664.db2.gz KNTMNISGOGWXOQ-YSIASYRMSA-N 2 1 347.572 3.280 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207435226 1371395667 /nfs/dbraw/zinc/39/56/67/1371395667.db2.gz KNTMNISGOGWXOQ-YSIASYRMSA-N 3 1 347.572 3.280 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207435226 1371395671 /nfs/dbraw/zinc/39/56/71/1371395671.db2.gz KNTMNISGOGWXOQ-YSIASYRMSA-N 3 1 347.572 3.280 20 0 EGADMP CN(Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207435226 1371395676 /nfs/dbraw/zinc/39/56/76/1371395676.db2.gz KNTMNISGOGWXOQ-YSIASYRMSA-N 2 1 347.572 3.280 20 0 EGADMP CN(Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207435226 1371395680 /nfs/dbraw/zinc/39/56/80/1371395680.db2.gz KNTMNISGOGWXOQ-YSIASYRMSA-N 2 1 347.572 3.280 20 0 EGADMP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](C[C@@H]1CCCOC1)CC2 ZINC001207465730 1371402679 /nfs/dbraw/zinc/40/26/79/1371402679.db2.gz ZHVVFRDXRTWZAU-SFHVURJKSA-N 2 1 347.503 3.148 20 0 EGADMP C[N@@H+](CCC1CC[NH+](C)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001207488347 1371411456 /nfs/dbraw/zinc/41/14/56/1371411456.db2.gz ISMPRWWHMVTZQL-NRFANRHFSA-N 2 1 329.532 3.315 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001207488692 1371412138 /nfs/dbraw/zinc/41/21/38/1371412138.db2.gz OTDXISFHASBPPS-IRXDYDNUSA-N 2 1 333.907 3.335 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207543040 1371430228 /nfs/dbraw/zinc/43/02/28/1371430228.db2.gz BWSSLCAQGAXWRE-BHIYHBOVSA-N 2 1 343.515 3.059 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207616815 1371453142 /nfs/dbraw/zinc/45/31/42/1371453142.db2.gz FXUXDQPMMUMDAZ-IOIJZZRGSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001207616815 1371453146 /nfs/dbraw/zinc/45/31/46/1371453146.db2.gz FXUXDQPMMUMDAZ-IOIJZZRGSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001207616815 1371453149 /nfs/dbraw/zinc/45/31/49/1371453149.db2.gz FXUXDQPMMUMDAZ-IOIJZZRGSA-N 2 1 335.536 3.044 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCCC3CCC3)CCCCC2)C1 ZINC001120010424 1371454365 /nfs/dbraw/zinc/45/43/65/1371454365.db2.gz RBJITNWDRPBAGZ-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3csc(C(F)(F)F)n3)C[C@H]2C1 ZINC001120070893 1371477729 /nfs/dbraw/zinc/47/77/29/1371477729.db2.gz CTPNJFKMHFMGJD-DMDPSCGWSA-N 2 1 333.423 3.324 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3csc(C(F)(F)F)n3)C[C@H]2C1 ZINC001120070893 1371477731 /nfs/dbraw/zinc/47/77/31/1371477731.db2.gz CTPNJFKMHFMGJD-DMDPSCGWSA-N 2 1 333.423 3.324 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1C)[NH+](C)C ZINC001207697892 1371478276 /nfs/dbraw/zinc/47/82/76/1371478276.db2.gz LGMCLSQHDUJNRL-BHIYHBOVSA-N 2 1 337.552 3.124 20 0 EGADMP O=C(NCC1([NH2+]CC2CCCC2)CCCCC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001120074451 1371478807 /nfs/dbraw/zinc/47/88/07/1371478807.db2.gz HHYSHKOEDSYPES-FQEVSTJZSA-N 2 1 347.547 3.071 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)c2ccc(F)cc2)C[C@H]1C ZINC001207750269 1371493748 /nfs/dbraw/zinc/49/37/48/1371493748.db2.gz OAPUFRXIGREYQV-IIDMSEBBSA-N 2 1 349.494 3.054 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)cc2)C[C@H]1C ZINC001207750269 1371493752 /nfs/dbraw/zinc/49/37/52/1371493752.db2.gz OAPUFRXIGREYQV-IIDMSEBBSA-N 2 1 349.494 3.054 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)cc2)C[C@H]1C ZINC001207750269 1371493755 /nfs/dbraw/zinc/49/37/55/1371493755.db2.gz OAPUFRXIGREYQV-IIDMSEBBSA-N 2 1 349.494 3.054 20 0 EGADMP c1cn(Cc2noc3c2C[N@@H+](CC2(c4ccccc4)CC2)CC3)cn1 ZINC001207834729 1371515490 /nfs/dbraw/zinc/51/54/90/1371515490.db2.gz YIYVOFFTLBFREZ-UHFFFAOYSA-N 2 1 334.423 3.009 20 0 EGADMP c1cn(Cc2noc3c2CN(CC2(c4ccccc4)CC2)CC3)cn1 ZINC001207834729 1371515496 /nfs/dbraw/zinc/51/54/96/1371515496.db2.gz YIYVOFFTLBFREZ-UHFFFAOYSA-N 2 1 334.423 3.009 20 0 EGADMP CC(C)c1ccc(C[C@H](C)C[N@@H+](C)CCN2CC[NH+](C)CC2)cc1 ZINC001207936227 1371542803 /nfs/dbraw/zinc/54/28/03/1371542803.db2.gz CXNXVEUCLIBOPP-IBGZPJMESA-N 2 1 331.548 3.168 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CC=C(C)C)C1 ZINC001120401445 1371561931 /nfs/dbraw/zinc/56/19/31/1371561931.db2.gz JEGCBFGMBKIZPQ-RBUKOAKNSA-N 2 1 349.563 3.386 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC=C(C)C)C1 ZINC001120401445 1371561932 /nfs/dbraw/zinc/56/19/32/1371561932.db2.gz JEGCBFGMBKIZPQ-RBUKOAKNSA-N 2 1 349.563 3.386 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC=C(C)C)C1 ZINC001120401445 1371561934 /nfs/dbraw/zinc/56/19/34/1371561934.db2.gz JEGCBFGMBKIZPQ-RBUKOAKNSA-N 2 1 349.563 3.386 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC2CC(C)(C)C2)C1 ZINC001120430967 1371574391 /nfs/dbraw/zinc/57/43/91/1371574391.db2.gz PCNGZMCWVWSGJX-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001120432292 1371575264 /nfs/dbraw/zinc/57/52/64/1371575264.db2.gz ZPQUYPSEKNJZBV-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CCC2CCCC2)C1 ZINC001120432118 1371575502 /nfs/dbraw/zinc/57/55/02/1371575502.db2.gz YGFVPTYADYCMJD-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP c1nc2n(c1C[NH+]1CCCC1)CC[N@H+](CCCC1CCCC1)CC2 ZINC001208088283 1371593084 /nfs/dbraw/zinc/59/30/84/1371593084.db2.gz BYMYXUMFEWWABA-UHFFFAOYSA-N 2 1 330.520 3.307 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)[C@@H](c2ccccc2)C1 ZINC001208110730 1371597949 /nfs/dbraw/zinc/59/79/49/1371597949.db2.gz FSDWURNUMHRACE-RBUKOAKNSA-N 2 1 344.499 3.345 20 0 EGADMP CCOC(=O)C[N@H+](CC1(C)CC[NH+](C)CC1)[C@H](C)c1ccccc1 ZINC001208112240 1371598893 /nfs/dbraw/zinc/59/88/93/1371598893.db2.gz UKABRSVBSQMSGF-QGZVFWFLSA-N 2 1 332.488 3.345 20 0 EGADMP CCOC(=O)C[N@@H+](CC1(C)CC[NH+](C)CC1)[C@H](C)c1ccccc1 ZINC001208112240 1371598896 /nfs/dbraw/zinc/59/88/96/1371598896.db2.gz UKABRSVBSQMSGF-QGZVFWFLSA-N 2 1 332.488 3.345 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001208114448 1371599794 /nfs/dbraw/zinc/59/97/94/1371599794.db2.gz XJDRAUJRKFIHEJ-MRXNPFEDSA-N 2 1 339.524 3.098 20 0 EGADMP COc1cccnc1O[C@@H]1CCC[N@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208188535 1371629167 /nfs/dbraw/zinc/62/91/67/1371629167.db2.gz INLASDXSIITVKG-QGZVFWFLSA-N 2 1 347.503 3.055 20 0 EGADMP COc1cccnc1O[C@@H]1CCC[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208188535 1371629169 /nfs/dbraw/zinc/62/91/69/1371629169.db2.gz INLASDXSIITVKG-QGZVFWFLSA-N 2 1 347.503 3.055 20 0 EGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001208331056 1371720331 /nfs/dbraw/zinc/72/03/31/1371720331.db2.gz KDEQJHYOPFFFFM-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001208331193 1371720578 /nfs/dbraw/zinc/72/05/78/1371720578.db2.gz NIFXRQOLEOCABB-NHQAVIFJSA-N 2 1 349.563 3.291 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208363371 1371736622 /nfs/dbraw/zinc/73/66/22/1371736622.db2.gz YEDKUWRIHGGELF-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208363370 1371737278 /nfs/dbraw/zinc/73/72/78/1371737278.db2.gz YEDKUWRIHGGELF-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208474165 1371781385 /nfs/dbraw/zinc/78/13/85/1371781385.db2.gz JIYNBMYIBFARLC-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCN(CC3CC3)c3nc(C)ccc3C2)CC1 ZINC001208600400 1371836577 /nfs/dbraw/zinc/83/65/77/1371836577.db2.gz QWOIYZKJTAOXRT-UHFFFAOYSA-N 2 1 342.531 3.154 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)C1 ZINC001208605596 1371837838 /nfs/dbraw/zinc/83/78/38/1371837838.db2.gz CEIATXWFBLXJME-FDFHNCONSA-N 2 1 342.527 3.440 20 0 EGADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)C1 ZINC001208605596 1371837843 /nfs/dbraw/zinc/83/78/43/1371837843.db2.gz CEIATXWFBLXJME-FDFHNCONSA-N 2 1 342.527 3.440 20 0 EGADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)C1 ZINC001208605596 1371837847 /nfs/dbraw/zinc/83/78/47/1371837847.db2.gz CEIATXWFBLXJME-FDFHNCONSA-N 2 1 342.527 3.440 20 0 EGADMP C[N@H+]1CCC[C@H](CN2CC[C@]3(CCC[NH+]3Cc3ccccc3)C2)C1 ZINC001208617446 1371842571 /nfs/dbraw/zinc/84/25/71/1371842571.db2.gz PGGBWIMSRVKSEQ-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@H](CN2CC[C@]3(CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001208617446 1371842573 /nfs/dbraw/zinc/84/25/73/1371842573.db2.gz PGGBWIMSRVKSEQ-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@H](CN2CC[C@]3(CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001208617446 1371842578 /nfs/dbraw/zinc/84/25/78/1371842578.db2.gz PGGBWIMSRVKSEQ-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP C[N@H+]1CCC[C@@H](CN2CC[C@]3(CCC[NH+]3Cc3ccccc3)C2)C1 ZINC001208617450 1371843469 /nfs/dbraw/zinc/84/34/69/1371843469.db2.gz PGGBWIMSRVKSEQ-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@@H](CN2CC[C@]3(CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001208617450 1371843476 /nfs/dbraw/zinc/84/34/76/1371843476.db2.gz PGGBWIMSRVKSEQ-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@@H](CN2CC[C@]3(CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001208617450 1371843478 /nfs/dbraw/zinc/84/34/78/1371843478.db2.gz PGGBWIMSRVKSEQ-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP CC[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208759190 1371885804 /nfs/dbraw/zinc/88/58/04/1371885804.db2.gz RONAJHQWPRYCCU-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001121246767 1371907311 /nfs/dbraw/zinc/90/73/11/1371907311.db2.gz SJSKNRMSPWPHBB-UHFFFAOYSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001121260632 1371912315 /nfs/dbraw/zinc/91/23/15/1371912315.db2.gz IYJNEJKUVQEXMN-FCOWATRHSA-N 2 1 349.563 3.314 20 0 EGADMP CCOC(=O)c1ccc(CCC[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC001208863536 1371923573 /nfs/dbraw/zinc/92/35/73/1371923573.db2.gz HALFNEZTSGPHLJ-UHFFFAOYSA-N 2 1 344.499 3.356 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CC[C@H]4OCCC[C@H]4C3)C2)cc1 ZINC001208932332 1371950523 /nfs/dbraw/zinc/95/05/23/1371950523.db2.gz OTMPYPLJGLLYGE-PCCBWWKXSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC[C@H]4OCCC[C@H]4C3)C2)cc1 ZINC001208932332 1371950527 /nfs/dbraw/zinc/95/05/27/1371950527.db2.gz OTMPYPLJGLLYGE-PCCBWWKXSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC[C@H]4OCCC[C@H]4C3)C2)cc1 ZINC001208932332 1371950531 /nfs/dbraw/zinc/95/05/31/1371950531.db2.gz OTMPYPLJGLLYGE-PCCBWWKXSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CC[C@H]4OCCC[C@H]4C3)C2)cc1 ZINC001208932332 1371950539 /nfs/dbraw/zinc/95/05/39/1371950539.db2.gz OTMPYPLJGLLYGE-PCCBWWKXSA-N 2 1 328.500 3.400 20 0 EGADMP C[NH+](C)CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208931538 1371950733 /nfs/dbraw/zinc/95/07/33/1371950733.db2.gz ABESVQPAUCXJJQ-OAQYLSRUSA-N 3 1 329.532 3.172 20 0 EGADMP C[NH+](C)CC1CC[NH+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208931538 1371950738 /nfs/dbraw/zinc/95/07/38/1371950738.db2.gz ABESVQPAUCXJJQ-OAQYLSRUSA-N 2 1 329.532 3.172 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+]4CCCC[C@H]4C3)C2)cc1 ZINC001208936201 1371951403 /nfs/dbraw/zinc/95/14/03/1371951403.db2.gz MMPSSTAXOXICBK-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](CN3CC[N@@H+]4CCCC[C@H]4C3)C2)cc1 ZINC001208936201 1371951405 /nfs/dbraw/zinc/95/14/05/1371951405.db2.gz MMPSSTAXOXICBK-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](CN3CC[N@H+]4CCCC[C@H]4C3)C2)cc1 ZINC001208936201 1371951407 /nfs/dbraw/zinc/95/14/07/1371951407.db2.gz MMPSSTAXOXICBK-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP COC(=O)C1(C)CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208935425 1371951841 /nfs/dbraw/zinc/95/18/41/1371951841.db2.gz JDIRVXFKDWMTGS-LJQANCHMSA-N 2 1 344.499 3.174 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001208940673 1371953529 /nfs/dbraw/zinc/95/35/29/1371953529.db2.gz VEYIDFQXTHRUHP-NRFANRHFSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC2(CC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208940673 1371953532 /nfs/dbraw/zinc/95/35/32/1371953532.db2.gz VEYIDFQXTHRUHP-NRFANRHFSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC2(CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208940673 1371953535 /nfs/dbraw/zinc/95/35/35/1371953535.db2.gz VEYIDFQXTHRUHP-NRFANRHFSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC2(CC[N@H+](C[C@H]3CCCN(Cc4ccccc4)C3)C2)CC1 ZINC001208940673 1371953536 /nfs/dbraw/zinc/95/35/36/1371953536.db2.gz VEYIDFQXTHRUHP-NRFANRHFSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](C[C@H]3CCCN(Cc4ccccc4)C3)C2)CC1 ZINC001208940673 1371953538 /nfs/dbraw/zinc/95/35/38/1371953538.db2.gz VEYIDFQXTHRUHP-NRFANRHFSA-N 2 1 341.543 3.316 20 0 EGADMP COC(=O)[C@H]1CC[C@@H](C)[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208936741 1371954730 /nfs/dbraw/zinc/95/47/30/1371954730.db2.gz PQJKBMIGYBUZEU-RLLQIKCJSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208936741 1371954732 /nfs/dbraw/zinc/95/47/32/1371954732.db2.gz PQJKBMIGYBUZEU-RLLQIKCJSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@H]1CC[C@@H](C)[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208936741 1371954734 /nfs/dbraw/zinc/95/47/34/1371954734.db2.gz PQJKBMIGYBUZEU-RLLQIKCJSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@H]1CC[C@@H](C)[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208936741 1371954737 /nfs/dbraw/zinc/95/47/37/1371954737.db2.gz PQJKBMIGYBUZEU-RLLQIKCJSA-N 2 1 344.499 3.172 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCC4(CCOCC4)CC3)C2)cc1 ZINC001208952542 1371960817 /nfs/dbraw/zinc/96/08/17/1371960817.db2.gz KJOFGZJTTMGSMW-FQEVSTJZSA-N 2 1 328.500 3.401 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209150498 1372015547 /nfs/dbraw/zinc/01/55/47/1372015547.db2.gz QFLLTEOXZCZBRX-IAGOWNOFSA-N 2 1 334.508 3.023 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209150498 1372015549 /nfs/dbraw/zinc/01/55/49/1372015549.db2.gz QFLLTEOXZCZBRX-IAGOWNOFSA-N 2 1 334.508 3.023 20 0 EGADMP c1coc(CN2C[C@H]3C[C@@H](C2)C[N@H+](CCOc2ccccc2)C3)c1 ZINC001209302216 1372064083 /nfs/dbraw/zinc/06/40/83/1372064083.db2.gz IHJBJOBYEDLLTN-HDICACEKSA-N 2 1 326.440 3.112 20 0 EGADMP c1coc(C[N@H+]2C[C@@H]3C[C@@H](CN(CCOc4ccccc4)C3)C2)c1 ZINC001209302216 1372064085 /nfs/dbraw/zinc/06/40/85/1372064085.db2.gz IHJBJOBYEDLLTN-HDICACEKSA-N 2 1 326.440 3.112 20 0 EGADMP c1coc(C[N@@H+]2C[C@@H]3C[C@@H](CN(CCOc4ccccc4)C3)C2)c1 ZINC001209302216 1372064089 /nfs/dbraw/zinc/06/40/89/1372064089.db2.gz IHJBJOBYEDLLTN-HDICACEKSA-N 2 1 326.440 3.112 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001121772503 1372076511 /nfs/dbraw/zinc/07/65/11/1372076511.db2.gz BTOVSTOVSWVGRC-PPDYRMFTSA-N 2 1 349.563 3.027 20 0 EGADMP COC(=O)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC001209449231 1372109797 /nfs/dbraw/zinc/10/97/97/1372109797.db2.gz FBTGJLFXJZHKDG-MOPGFXCFSA-N 2 1 330.472 3.099 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC001209449231 1372109798 /nfs/dbraw/zinc/10/97/98/1372109798.db2.gz FBTGJLFXJZHKDG-MOPGFXCFSA-N 2 1 330.472 3.099 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CCN(CCC[NH+]4CCCCC4)[C@@H]3C2)cc1 ZINC001209453712 1372110264 /nfs/dbraw/zinc/11/02/64/1372110264.db2.gz KNAWFMVTULEBIR-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP CC(C)(C)OC(=O)N1CCC[NH+](CCC[NH+]2CCCCC2)CCC1 ZINC001209452420 1372110701 /nfs/dbraw/zinc/11/07/01/1372110701.db2.gz OIJXBOSJPHCYRQ-UHFFFAOYSA-N 2 1 339.524 3.195 20 0 EGADMP CCCC[NH+]1CCC([N@H+](C)C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 ZINC001209472829 1372116036 /nfs/dbraw/zinc/11/60/36/1372116036.db2.gz GRAQQYHCNFUCLX-MRXNPFEDSA-N 2 1 341.540 3.486 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 ZINC001209472829 1372116038 /nfs/dbraw/zinc/11/60/38/1372116038.db2.gz GRAQQYHCNFUCLX-MRXNPFEDSA-N 2 1 341.540 3.486 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001209478526 1372117531 /nfs/dbraw/zinc/11/75/31/1372117531.db2.gz VNHFYSLSABGNTR-YLJYHZDGSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001326408791 1388180282 /nfs/dbraw/zinc/18/02/82/1388180282.db2.gz OGHAVDMKTUFNHG-IBGZPJMESA-N 2 1 331.504 3.051 20 0 EGADMP CC(C)C[C@](C)(C[NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001121916357 1372122360 /nfs/dbraw/zinc/12/23/60/1372122360.db2.gz WPKHWWLOLPTFRN-NLWGTHIKSA-N 2 1 337.552 3.111 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c(C)nc3ccccn32)CC1 ZINC001209648851 1372160707 /nfs/dbraw/zinc/16/07/07/1372160707.db2.gz WWVZJMOFNXYKNU-UHFFFAOYSA-N 2 1 335.455 3.085 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122055377 1372163743 /nfs/dbraw/zinc/16/37/43/1372163743.db2.gz BPQCIVVTAKCUCG-IPHBXJNRSA-N 2 1 349.563 3.027 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]CCC2CCCC2)C1)CC(C)(C)C ZINC001209688975 1372170267 /nfs/dbraw/zinc/17/02/67/1372170267.db2.gz IBPJLJWQRAWVIQ-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001122231092 1372206800 /nfs/dbraw/zinc/20/68/00/1372206800.db2.gz CKNMPIDJIZXZCF-SQPQUVMCSA-N 2 1 347.547 3.233 20 0 EGADMP CCCCC[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209930371 1372233743 /nfs/dbraw/zinc/23/37/43/1372233743.db2.gz BKXQVVKCLZKOLF-KRWDZBQOSA-N 2 1 334.508 3.167 20 0 EGADMP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209931909 1372234901 /nfs/dbraw/zinc/23/49/01/1372234901.db2.gz OAFQMQCANRMPHJ-XFHJGTJQSA-N 2 1 346.519 3.334 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001210132447 1372277356 /nfs/dbraw/zinc/27/73/56/1372277356.db2.gz BQIWMLDXUKSCEG-SFFCAUCYSA-N 2 1 346.519 3.299 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001210492443 1372366008 /nfs/dbraw/zinc/36/60/08/1372366008.db2.gz BIYOSSBCKBRCRY-IBGZPJMESA-N 2 1 345.531 3.232 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001211283770 1372520508 /nfs/dbraw/zinc/52/05/08/1372520508.db2.gz IYKLVKNHJVFDMG-OALUTQOASA-N 2 1 345.531 3.285 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001211284524 1372520694 /nfs/dbraw/zinc/52/06/94/1372520694.db2.gz MDKKWYLOIALULV-SUJSUNJESA-N 2 1 343.515 3.011 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211311068 1372526138 /nfs/dbraw/zinc/52/61/38/1372526138.db2.gz YXEOHQANVULZJI-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CCC[C@H](c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)C1 ZINC001211877725 1372627077 /nfs/dbraw/zinc/62/70/77/1372627077.db2.gz YIRWFYRICSAJQW-OIQJVACTSA-N 2 1 339.443 3.007 20 0 EGADMP COc1c(F)cccc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212145317 1372664093 /nfs/dbraw/zinc/66/40/93/1372664093.db2.gz PSRIPOFEZRFGTP-AWEZNQCLSA-N 2 1 336.411 3.052 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+]CC1CCCCCC1 ZINC001127675936 1373157844 /nfs/dbraw/zinc/15/78/44/1373157844.db2.gz VIWRJUGOKBPUHC-MRXNPFEDSA-N 2 1 334.508 3.073 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC001129429501 1373383514 /nfs/dbraw/zinc/38/35/14/1373383514.db2.gz HGKAUMSBBPCYAZ-PXNSSMCTSA-N 2 1 343.515 3.169 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205440 1388264093 /nfs/dbraw/zinc/26/40/93/1388264093.db2.gz LXOORDNYIDBJAX-OAOPFVHKSA-N 2 1 347.547 3.138 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001188205440 1388264103 /nfs/dbraw/zinc/26/41/03/1388264103.db2.gz LXOORDNYIDBJAX-OAOPFVHKSA-N 2 1 347.547 3.138 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001188205440 1388264111 /nfs/dbraw/zinc/26/41/11/1388264111.db2.gz LXOORDNYIDBJAX-OAOPFVHKSA-N 2 1 347.547 3.138 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@H]1OC[C@]1(C)C[N@@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217789598 1373500293 /nfs/dbraw/zinc/50/02/93/1373500293.db2.gz PWVHSGAMGDHDTF-QFUCXCTJSA-N 2 1 346.515 3.071 20 0 EGADMP C[C@H](OCCC[C@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001217868700 1373508633 /nfs/dbraw/zinc/50/86/33/1373508633.db2.gz KUZQZEPNLURADQ-ZVDOUQERSA-N 2 1 346.515 3.072 20 0 EGADMP C[C@H](OCCC[C@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001217868700 1373508636 /nfs/dbraw/zinc/50/86/36/1373508636.db2.gz KUZQZEPNLURADQ-ZVDOUQERSA-N 2 1 346.515 3.072 20 0 EGADMP C[NH+](C)Cc1cc(O[C@@H]2CCCC[NH2+]C2)ccc1Br ZINC001217970912 1373521944 /nfs/dbraw/zinc/52/19/44/1373521944.db2.gz QSEQIIXAHBJWQY-CQSZACIVSA-N 2 1 327.266 3.032 20 0 EGADMP c1ccc(C[N@@H+]2CCc3ccc(O[C@@H]4CCCC[NH2+]C4)nc3C2)cc1 ZINC001217969718 1373521984 /nfs/dbraw/zinc/52/19/84/1373521984.db2.gz AYFGAIHGLITMME-LJQANCHMSA-N 2 1 337.467 3.161 20 0 EGADMP c1ccc(C[N@H+]2CCc3ccc(O[C@@H]4CCCC[NH2+]C4)nc3C2)cc1 ZINC001217969718 1373521988 /nfs/dbraw/zinc/52/19/88/1373521988.db2.gz AYFGAIHGLITMME-LJQANCHMSA-N 2 1 337.467 3.161 20 0 EGADMP CC[C@@H]([NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC)c1ccc(Cl)cc1 ZINC001130427137 1373534002 /nfs/dbraw/zinc/53/40/02/1373534002.db2.gz JXCFUYVNCUYZCZ-MRXNPFEDSA-N 2 1 339.911 3.227 20 0 EGADMP C[N@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@H]2C[NH2+]C[C@@H]2F)cc13 ZINC001218017367 1373539119 /nfs/dbraw/zinc/53/91/19/1373539119.db2.gz SVVVPLBMFDOTEA-KPACCLEDSA-N 2 1 344.474 3.064 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218334735 1373599284 /nfs/dbraw/zinc/59/92/84/1373599284.db2.gz FSDVYHLESLUSLS-JXFKEZNVSA-N 2 1 337.467 3.017 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188245792 1388274428 /nfs/dbraw/zinc/27/44/28/1388274428.db2.gz AXHCZCXAMRNEQS-OAOPFVHKSA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001188245792 1388274432 /nfs/dbraw/zinc/27/44/32/1388274432.db2.gz AXHCZCXAMRNEQS-OAOPFVHKSA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001188245792 1388274436 /nfs/dbraw/zinc/27/44/36/1388274436.db2.gz AXHCZCXAMRNEQS-OAOPFVHKSA-N 2 1 347.547 3.140 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222092228 1373816481 /nfs/dbraw/zinc/81/64/81/1373816481.db2.gz LNWRICSDVHIIBJ-FQEVSTJZSA-N 2 1 345.531 3.135 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222092228 1373816485 /nfs/dbraw/zinc/81/64/85/1373816485.db2.gz LNWRICSDVHIIBJ-FQEVSTJZSA-N 2 1 345.531 3.135 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(-c2ccccc2)cn1 ZINC001222153899 1373817667 /nfs/dbraw/zinc/81/76/67/1373817667.db2.gz CGRQOFYYZOKWEW-NRFANRHFSA-N 2 1 337.467 3.333 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(-c2ccccc2)cn1 ZINC001222153899 1373817672 /nfs/dbraw/zinc/81/76/72/1373817672.db2.gz CGRQOFYYZOKWEW-NRFANRHFSA-N 2 1 337.467 3.333 20 0 EGADMP Cc1nc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222272296 1373822733 /nfs/dbraw/zinc/82/27/33/1373822733.db2.gz QKLJMUPYHDPFIB-MRXNPFEDSA-N 2 1 327.394 3.374 20 0 EGADMP Cc1nc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222272296 1373822739 /nfs/dbraw/zinc/82/27/39/1373822739.db2.gz QKLJMUPYHDPFIB-MRXNPFEDSA-N 2 1 327.394 3.374 20 0 EGADMP CCCCOc1cccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c1 ZINC001222401165 1373838062 /nfs/dbraw/zinc/83/80/62/1373838062.db2.gz SLDPSXQYCZNTPH-UHFFFAOYSA-N 2 1 332.488 3.068 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188673187 1388359063 /nfs/dbraw/zinc/35/90/63/1388359063.db2.gz CUTIPSXRQCCLTJ-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132107492 1375151336 /nfs/dbraw/zinc/15/13/36/1375151336.db2.gz ZMBNXLOKCJBLBX-HNGSOEQISA-N 2 1 335.536 3.186 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CC1CCCCCC1 ZINC001132106125 1375151361 /nfs/dbraw/zinc/15/13/61/1375151361.db2.gz QHCSVEQIIAEOBC-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CC1CCCCCC1 ZINC001132106125 1375151364 /nfs/dbraw/zinc/15/13/64/1375151364.db2.gz QHCSVEQIIAEOBC-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CC1CCCCCC1 ZINC001132106125 1375151366 /nfs/dbraw/zinc/15/13/66/1375151366.db2.gz QHCSVEQIIAEOBC-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132123458 1375158211 /nfs/dbraw/zinc/15/82/11/1375158211.db2.gz DUJWXBPGFNCGNN-WFRZBGSESA-N 2 1 347.547 3.188 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132129819 1375160850 /nfs/dbraw/zinc/16/08/50/1375160850.db2.gz YYFFLZSMRBQGFR-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@H+]1CCC1CC1 ZINC001132141534 1375167789 /nfs/dbraw/zinc/16/77/89/1375167789.db2.gz RLHJSIUCUSRDEU-SJLPKXTDSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[NH+]1CCC1CC1 ZINC001132141534 1375167793 /nfs/dbraw/zinc/16/77/93/1375167793.db2.gz RLHJSIUCUSRDEU-SJLPKXTDSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[NH+]1CCC1CC1 ZINC001132141534 1375167797 /nfs/dbraw/zinc/16/77/97/1375167797.db2.gz RLHJSIUCUSRDEU-SJLPKXTDSA-N 2 1 349.563 3.409 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132152971 1375173492 /nfs/dbraw/zinc/17/34/92/1375173492.db2.gz LSIQLIGIKMPCSJ-SJORKVTESA-N 2 1 325.541 3.266 20 0 EGADMP CCCCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132152971 1375173497 /nfs/dbraw/zinc/17/34/97/1375173497.db2.gz LSIQLIGIKMPCSJ-SJORKVTESA-N 2 1 325.541 3.266 20 0 EGADMP CCCCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132152971 1375173501 /nfs/dbraw/zinc/17/35/01/1375173501.db2.gz LSIQLIGIKMPCSJ-SJORKVTESA-N 2 1 325.541 3.266 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](CCCC2CCC2)C1 ZINC001132153832 1375174436 /nfs/dbraw/zinc/17/44/36/1375174436.db2.gz UFMWOGJJMJBENV-AEFFLSMTSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCC2CCC2)C1 ZINC001132153832 1375174440 /nfs/dbraw/zinc/17/44/40/1375174440.db2.gz UFMWOGJJMJBENV-AEFFLSMTSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC2CCC2)C1 ZINC001132153832 1375174443 /nfs/dbraw/zinc/17/44/43/1375174443.db2.gz UFMWOGJJMJBENV-AEFFLSMTSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207846 1375209979 /nfs/dbraw/zinc/20/99/79/1375209979.db2.gz XSPASZDSZLUYBO-ZWKOTPCHSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207846 1375209985 /nfs/dbraw/zinc/20/99/85/1375209985.db2.gz XSPASZDSZLUYBO-ZWKOTPCHSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207846 1375209987 /nfs/dbraw/zinc/20/99/87/1375209987.db2.gz XSPASZDSZLUYBO-ZWKOTPCHSA-N 2 1 337.552 3.410 20 0 EGADMP CCc1cccc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)c1 ZINC001132269486 1375257533 /nfs/dbraw/zinc/25/75/33/1375257533.db2.gz KOEGCZANTSDIOC-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCCc1ccc(C[N@H+]2C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)cc1 ZINC001132273146 1375258864 /nfs/dbraw/zinc/25/88/64/1375258864.db2.gz DLKSZKJRGNWTPR-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCCCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132332842 1375313621 /nfs/dbraw/zinc/31/36/21/1375313621.db2.gz XILLPNVZMNJNOW-DLBZAZTESA-N 2 1 334.508 3.166 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132332842 1375313625 /nfs/dbraw/zinc/31/36/25/1375313625.db2.gz XILLPNVZMNJNOW-DLBZAZTESA-N 2 1 334.508 3.166 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335900 1375316402 /nfs/dbraw/zinc/31/64/02/1375316402.db2.gz WAJBIRKSWCLJNV-MSOLQXFVSA-N 2 1 346.519 3.332 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335900 1375316407 /nfs/dbraw/zinc/31/64/07/1375316407.db2.gz WAJBIRKSWCLJNV-MSOLQXFVSA-N 2 1 346.519 3.332 20 0 EGADMP CC[N@@H+]1CC[C@H](Oc2ccc3c(n2)CC[NH+](Cc2ccccc2)C3)C1 ZINC001226743562 1375324397 /nfs/dbraw/zinc/32/43/97/1375324397.db2.gz VCSJDINLHIPTQP-IBGZPJMESA-N 2 1 337.467 3.113 20 0 EGADMP CC[N@H+]1CC[C@H](Oc2ccc3c(n2)CC[NH+](Cc2ccccc2)C3)C1 ZINC001226743562 1375324403 /nfs/dbraw/zinc/32/44/03/1375324403.db2.gz VCSJDINLHIPTQP-IBGZPJMESA-N 2 1 337.467 3.113 20 0 EGADMP CC[NH+]1CC[C@H](Oc2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001226743562 1375324407 /nfs/dbraw/zinc/32/44/07/1375324407.db2.gz VCSJDINLHIPTQP-IBGZPJMESA-N 2 1 337.467 3.113 20 0 EGADMP CC[NH+]1CC[C@H](Oc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C1 ZINC001226743562 1375324410 /nfs/dbraw/zinc/32/44/10/1375324410.db2.gz VCSJDINLHIPTQP-IBGZPJMESA-N 2 1 337.467 3.113 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001226766308 1375329468 /nfs/dbraw/zinc/32/94/68/1375329468.db2.gz LSRMPZGYBVIYGD-IPMKNSEASA-N 2 1 335.536 3.233 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC(C)(C)C)C1 ZINC001132376395 1375338046 /nfs/dbraw/zinc/33/80/46/1375338046.db2.gz MPPJSBHCVFPPGQ-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001132376725 1375337951 /nfs/dbraw/zinc/33/79/51/1375337951.db2.gz PUKHENZMYFKYLN-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132411069 1375360123 /nfs/dbraw/zinc/36/01/23/1375360123.db2.gz SJZCXBYSWRLJTH-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001132411069 1375360125 /nfs/dbraw/zinc/36/01/25/1375360125.db2.gz SJZCXBYSWRLJTH-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001132411069 1375360132 /nfs/dbraw/zinc/36/01/32/1375360132.db2.gz SJZCXBYSWRLJTH-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]2C)cc1 ZINC001132433042 1375377972 /nfs/dbraw/zinc/37/79/72/1375377972.db2.gz JRNHZGXOAFVWJC-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP Cc1ccccc1C[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132434007 1375378231 /nfs/dbraw/zinc/37/82/31/1375378231.db2.gz SOPAIXWDUPMWAD-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132432602 1375378685 /nfs/dbraw/zinc/37/86/85/1375378685.db2.gz FDLZSOUTMKIRLZ-ROUUACIJSA-N 2 1 325.541 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC2CC(C)(C)C2)C1 ZINC001132435783 1375379987 /nfs/dbraw/zinc/37/99/87/1375379987.db2.gz GTKVANBBMYCVPZ-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CC(C)(C)C2)C1 ZINC001132435783 1375379991 /nfs/dbraw/zinc/37/99/91/1375379991.db2.gz GTKVANBBMYCVPZ-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CC(C)(C)C2)C1 ZINC001132435783 1375379993 /nfs/dbraw/zinc/37/99/93/1375379993.db2.gz GTKVANBBMYCVPZ-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132442349 1375386719 /nfs/dbraw/zinc/38/67/19/1375386719.db2.gz ZXJGRENRQDKPML-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001132442349 1375386728 /nfs/dbraw/zinc/38/67/28/1375386728.db2.gz ZXJGRENRQDKPML-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001132442349 1375386731 /nfs/dbraw/zinc/38/67/31/1375386731.db2.gz ZXJGRENRQDKPML-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C)c1 ZINC001227150321 1375397684 /nfs/dbraw/zinc/39/76/84/1375397684.db2.gz ODRUJBWHVQIBPZ-RTBURBONSA-N 2 1 345.531 3.242 20 0 EGADMP Cc1cc(C)cc(C[NH+]2C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132517334 1375435745 /nfs/dbraw/zinc/43/57/45/1375435745.db2.gz BCPVOVDXSTZIGM-AZUAARDMSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cc(C)cc(C[N@@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132517334 1375435749 /nfs/dbraw/zinc/43/57/49/1375435749.db2.gz BCPVOVDXSTZIGM-AZUAARDMSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cc(C)cc(C[N@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132517334 1375435752 /nfs/dbraw/zinc/43/57/52/1375435752.db2.gz BCPVOVDXSTZIGM-AZUAARDMSA-N 2 1 345.531 3.113 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132518869 1375436977 /nfs/dbraw/zinc/43/69/77/1375436977.db2.gz PMPMDNOQRWHHMY-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001132524440 1375440689 /nfs/dbraw/zinc/44/06/89/1375440689.db2.gz GZDNCHVNDVJCRG-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001227876036 1375485856 /nfs/dbraw/zinc/48/58/56/1375485856.db2.gz DRYBWVDCEVDSKO-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001228623625 1375620012 /nfs/dbraw/zinc/62/00/12/1375620012.db2.gz GFQSZOSQIHJOSE-BTFXCVNISA-N 2 1 337.552 3.338 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1)CC(C)(C)C ZINC001228623747 1375620191 /nfs/dbraw/zinc/62/01/91/1375620191.db2.gz JPFPIKBBZXUBBA-RTBURBONSA-N 2 1 349.563 3.482 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001228624237 1375620289 /nfs/dbraw/zinc/62/02/89/1375620289.db2.gz UEUNDSIMWGZUQJ-QZTJIDSGSA-N 2 1 337.552 3.316 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132887580 1375626061 /nfs/dbraw/zinc/62/60/61/1375626061.db2.gz GHQVZGQCZKWHNL-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC2)cc1 ZINC001327129019 1388392660 /nfs/dbraw/zinc/39/26/60/1388392660.db2.gz FJOCODNKKUHHTF-PMACEKPBSA-N 2 1 345.531 3.052 20 0 EGADMP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133120801 1375786456 /nfs/dbraw/zinc/78/64/56/1375786456.db2.gz BGROQGJPXMLWIJ-QZTJIDSGSA-N 2 1 337.552 3.005 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001230107478 1375944109 /nfs/dbraw/zinc/94/41/09/1375944109.db2.gz HBIRDFJVMKLXGD-UHFFFAOYSA-N 2 1 335.536 3.189 20 0 EGADMP CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC2CC2)CC1)[NH+](CC)CC ZINC001230598258 1376093231 /nfs/dbraw/zinc/09/32/31/1376093231.db2.gz JEHDFUDFDPQRLH-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001230617511 1376103569 /nfs/dbraw/zinc/10/35/69/1376103569.db2.gz BQWSBTNTGUBKRZ-HCZHMGAMSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230617511 1376103571 /nfs/dbraw/zinc/10/35/71/1376103571.db2.gz BQWSBTNTGUBKRZ-HCZHMGAMSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230617511 1376103580 /nfs/dbraw/zinc/10/35/80/1376103580.db2.gz BQWSBTNTGUBKRZ-HCZHMGAMSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001230622800 1376105366 /nfs/dbraw/zinc/10/53/66/1376105366.db2.gz QWHLYBSVEJYSLI-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001230622800 1376105367 /nfs/dbraw/zinc/10/53/67/1376105367.db2.gz QWHLYBSVEJYSLI-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230622800 1376105368 /nfs/dbraw/zinc/10/53/68/1376105368.db2.gz QWHLYBSVEJYSLI-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2cccc(C[NH3+])c2)c1 ZINC001327180505 1388427911 /nfs/dbraw/zinc/42/79/11/1388427911.db2.gz IBLJVEUCFYQHCG-HXUWFJFHSA-N 2 1 337.467 3.447 20 0 EGADMP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4c[nH]c5cnccc45)C[C@H]3C2)c1 ZINC001231515023 1376253894 /nfs/dbraw/zinc/25/38/94/1376253894.db2.gz BTHQWQAJDFUYKL-HOTGVXAUSA-N 2 1 338.480 3.188 20 0 EGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc2c1OCCO2 ZINC001231886344 1376336310 /nfs/dbraw/zinc/33/63/10/1376336310.db2.gz KJGHQDLOSZWZIY-ZWKOTPCHSA-N 2 1 330.472 3.297 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc2c1OCCO2 ZINC001231886344 1376336318 /nfs/dbraw/zinc/33/63/18/1376336318.db2.gz KJGHQDLOSZWZIY-ZWKOTPCHSA-N 2 1 330.472 3.297 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc2c1OCCO2 ZINC001231886344 1376336324 /nfs/dbraw/zinc/33/63/24/1376336324.db2.gz KJGHQDLOSZWZIY-ZWKOTPCHSA-N 2 1 330.472 3.297 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc2c1OCCO2 ZINC001231886344 1376336327 /nfs/dbraw/zinc/33/63/27/1376336327.db2.gz KJGHQDLOSZWZIY-ZWKOTPCHSA-N 2 1 330.472 3.297 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(Cl)cnc2F)CC1 ZINC001231993835 1376374942 /nfs/dbraw/zinc/37/49/42/1376374942.db2.gz QQXQIXUVWCGPQQ-UHFFFAOYSA-N 2 1 334.826 3.317 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CCC[C@]1(O)C(F)(F)F ZINC001232012273 1376382377 /nfs/dbraw/zinc/38/23/77/1376382377.db2.gz XXUCKOKAKDZHQE-XHDPSFHLSA-N 2 1 327.350 3.088 20 0 EGADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001232012453 1376382809 /nfs/dbraw/zinc/38/28/09/1376382809.db2.gz IUBMSJSKCNFPRT-UHFFFAOYSA-N 2 1 344.459 3.394 20 0 EGADMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3ccccc3)cn2)CC1 ZINC001232363602 1376448792 /nfs/dbraw/zinc/44/87/92/1376448792.db2.gz HYSCNJJQJMGOJX-FQEVSTJZSA-N 2 1 336.483 3.171 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612905 1376624397 /nfs/dbraw/zinc/62/43/97/1376624397.db2.gz QTFLIKCGTHDYFN-IRXDYDNUSA-N 2 1 335.536 3.234 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001134723350 1376678946 /nfs/dbraw/zinc/67/89/46/1376678946.db2.gz DXCZNOMBFZJOGE-QGZVFWFLSA-N 2 1 342.487 3.172 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C1CC1 ZINC001134765959 1376710173 /nfs/dbraw/zinc/71/01/73/1376710173.db2.gz AYWLMICJZYZDBZ-FQEVSTJZSA-N 2 1 343.515 3.033 20 0 EGADMP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001134767312 1376710422 /nfs/dbraw/zinc/71/04/22/1376710422.db2.gz VOMAJRVNHPYVTR-RTBURBONSA-N 2 1 331.504 3.106 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCCC(C)C)C[C@H]21)[NH+](CC)CC ZINC001189111372 1388461934 /nfs/dbraw/zinc/46/19/34/1388461934.db2.gz YYRAJDCKJXDOQV-GBESFXJTSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](CC)CCOc1cccc(NC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001134903330 1376778127 /nfs/dbraw/zinc/77/81/27/1376778127.db2.gz FQQYSGPJOYPIKZ-LJQANCHMSA-N 2 1 347.503 3.219 20 0 EGADMP COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235046314 1376842349 /nfs/dbraw/zinc/84/23/49/1376842349.db2.gz PQCDUDAQVQICLV-FQEVSTJZSA-N 2 1 341.455 3.063 20 0 EGADMP COC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235046314 1376842355 /nfs/dbraw/zinc/84/23/55/1376842355.db2.gz PQCDUDAQVQICLV-FQEVSTJZSA-N 2 1 341.455 3.063 20 0 EGADMP Clc1cccn2cc(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)nc12 ZINC001235243919 1376862331 /nfs/dbraw/zinc/86/23/31/1376862331.db2.gz ZUXQEAAZFAKYJY-KRWDZBQOSA-N 2 1 332.879 3.342 20 0 EGADMP COc1cccc2[nH]cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c21 ZINC001235428992 1376869677 /nfs/dbraw/zinc/86/96/77/1376869677.db2.gz SJEUMFDTYZHYHJ-CVEARBPZSA-N 2 1 327.472 3.388 20 0 EGADMP c1csc([C@@H]2C[NH2+]CCN2C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001236113777 1376933756 /nfs/dbraw/zinc/93/37/56/1376933756.db2.gz IUHDVKCXANUKMH-MOPGFXCFSA-N 2 1 341.524 3.217 20 0 EGADMP C[N@@H+](CCCC[NH3+])Cc1cc2c(c(OCc3ccccc3)c1)OCO2 ZINC001236141056 1376936017 /nfs/dbraw/zinc/93/60/17/1376936017.db2.gz DVPQDBVRCKBXBU-UHFFFAOYSA-N 2 1 342.439 3.165 20 0 EGADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236181436 1376940146 /nfs/dbraw/zinc/94/01/46/1376940146.db2.gz JQJBTWSCZIFSPW-UHFFFAOYSA-N 2 1 332.451 3.150 20 0 EGADMP CCC[N@H+](Cc1ccc(-n2ccnc2)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236843773 1376966965 /nfs/dbraw/zinc/96/69/65/1376966965.db2.gz QXFSTAOHXJTXDF-INIZCTEOSA-N 2 1 332.879 3.347 20 0 EGADMP CCn1c2ccccc2c2cc(C[N@H+]3CC[C@@]4(C3)CNCCO4)ccc21 ZINC001237140903 1376976339 /nfs/dbraw/zinc/97/63/39/1376976339.db2.gz BWQMDSZJZTUFHM-QFIPXVFZSA-N 2 1 349.478 3.379 20 0 EGADMP CCn1c2ccccc2c2cc(CN3CC[C@@]4(C3)C[NH2+]CCO4)ccc21 ZINC001237140903 1376976342 /nfs/dbraw/zinc/97/63/42/1376976342.db2.gz BWQMDSZJZTUFHM-QFIPXVFZSA-N 2 1 349.478 3.379 20 0 EGADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246546436 1377052492 /nfs/dbraw/zinc/05/24/92/1377052492.db2.gz KCVLOMRVWBLLJB-RBUKOAKNSA-N 2 1 338.451 3.383 20 0 EGADMP C[N@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246546436 1377052497 /nfs/dbraw/zinc/05/24/97/1377052497.db2.gz KCVLOMRVWBLLJB-RBUKOAKNSA-N 2 1 338.451 3.383 20 0 EGADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246546436 1377052500 /nfs/dbraw/zinc/05/25/00/1377052500.db2.gz KCVLOMRVWBLLJB-RBUKOAKNSA-N 2 1 338.451 3.383 20 0 EGADMP c1csc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001246749364 1377054314 /nfs/dbraw/zinc/05/43/14/1377054314.db2.gz WCIUDBJSACUOPH-XSYGEPLQSA-N 2 1 345.556 3.319 20 0 EGADMP c1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](C2CCC4(CCC[NH2+]C4)CC2)C3)co1 ZINC001246750392 1377054517 /nfs/dbraw/zinc/05/45/17/1377054517.db2.gz UQFMWKBXDVBQJH-OSIBBQKWSA-N 2 1 343.515 3.098 20 0 EGADMP Fc1ccc(CN2CCC[N@H+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246822711 1377055360 /nfs/dbraw/zinc/05/53/60/1377055360.db2.gz MTHZEUMTERQXAS-NHCUHLMSSA-N 2 1 345.506 3.256 20 0 EGADMP Cc1c(F)cccc1-c1noc([C@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)n1 ZINC001247908184 1377065296 /nfs/dbraw/zinc/06/52/96/1377065296.db2.gz XVUZYXYCUQOHPB-AWEZNQCLSA-N 2 1 344.434 3.116 20 0 EGADMP Cc1cc(F)ccc1CN1CCC([NH2+][C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254510482 1377105405 /nfs/dbraw/zinc/10/54/05/1377105405.db2.gz WUMTUZFGKBVGIA-LJQANCHMSA-N 2 1 333.495 3.172 20 0 EGADMP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001135478093 1377111856 /nfs/dbraw/zinc/11/18/56/1377111856.db2.gz YXLFJNRVFJCTSO-ROUUACIJSA-N 2 1 347.547 3.346 20 0 EGADMP CC(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481240 1377113853 /nfs/dbraw/zinc/11/38/53/1377113853.db2.gz RRALNPSTVWNDET-RBUKOAKNSA-N 2 1 347.547 3.080 20 0 EGADMP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481229 1377113999 /nfs/dbraw/zinc/11/39/99/1377113999.db2.gz ROTFXWSJYQKVEJ-RTBURBONSA-N 2 1 347.547 3.224 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001135583789 1377155231 /nfs/dbraw/zinc/15/52/31/1377155231.db2.gz FNJJRKMKRDYHNH-IAGOWNOFSA-N 2 1 346.519 3.380 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001135584162 1377155296 /nfs/dbraw/zinc/15/52/96/1377155296.db2.gz LBEWEMGXXGXZEH-HZPDHXFCSA-N 2 1 348.535 3.316 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(C)c1 ZINC001265688008 1377159552 /nfs/dbraw/zinc/15/95/52/1377159552.db2.gz KSUNEYIHTLMNDD-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC(C)C ZINC001135680315 1377181711 /nfs/dbraw/zinc/18/17/11/1377181711.db2.gz UMEGAEDQCBVNGW-IAGOWNOFSA-N 2 1 336.524 3.281 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]C/C=C\Cl ZINC001135691520 1377184933 /nfs/dbraw/zinc/18/49/33/1377184933.db2.gz VTQFEMHGFCZJRX-SNPSMXBXSA-N 2 1 331.932 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH+](C)Cc1cccc(C)c1 ZINC001327290913 1388486105 /nfs/dbraw/zinc/48/61/05/1388486105.db2.gz JUNKIVBDAFNYON-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CCC[N@H+](C)Cc1cccc(C)c1 ZINC001327290913 1388486109 /nfs/dbraw/zinc/48/61/09/1388486109.db2.gz JUNKIVBDAFNYON-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)Cc1cccc(C)c1 ZINC001327290913 1388486111 /nfs/dbraw/zinc/48/61/11/1388486111.db2.gz JUNKIVBDAFNYON-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135977277 1377284556 /nfs/dbraw/zinc/28/45/56/1377284556.db2.gz REOZLOLDAGVNHY-ZWKOTPCHSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135976317 1377284678 /nfs/dbraw/zinc/28/46/78/1377284678.db2.gz IXJLDHVKXGNCKJ-MSOLQXFVSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1ccccc1C ZINC001135978981 1377284969 /nfs/dbraw/zinc/28/49/69/1377284969.db2.gz AHIQTXMMHTZHJM-RBUKOAKNSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135995672 1377292331 /nfs/dbraw/zinc/29/23/31/1377292331.db2.gz JFOJGHIIPBUVRG-RBUKOAKNSA-N 2 1 347.547 3.408 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+]Cc2cccc(C)c2)CC1 ZINC001267207660 1377430431 /nfs/dbraw/zinc/43/04/31/1377430431.db2.gz GGOATTZYFMXRKW-SFHVURJKSA-N 2 1 345.531 3.054 20 0 EGADMP CCCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001267547104 1377455310 /nfs/dbraw/zinc/45/53/10/1377455310.db2.gz UQFUDCFWOSXEGR-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP CCCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001267547104 1377455313 /nfs/dbraw/zinc/45/53/13/1377455313.db2.gz UQFUDCFWOSXEGR-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP CCCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001267547104 1377455315 /nfs/dbraw/zinc/45/53/15/1377455315.db2.gz UQFUDCFWOSXEGR-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP c1c2ccccc2[nH]c1C[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001137314950 1377516564 /nfs/dbraw/zinc/51/65/64/1377516564.db2.gz QXQHCEQPYMAJRC-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP c1c2ccccc2[nH]c1CN1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001137314950 1377516569 /nfs/dbraw/zinc/51/65/69/1377516569.db2.gz QXQHCEQPYMAJRC-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP C[C@H](C[N@@H+](C)CCC1CCCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001268754345 1377526042 /nfs/dbraw/zinc/52/60/42/1377526042.db2.gz ZCGBYHBGKMNYTO-QGZVFWFLSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1ccc2nc(Cl)c(CN3CCc4nccn4CC3)cc2c1 ZINC001137923933 1377645216 /nfs/dbraw/zinc/64/52/16/1377645216.db2.gz ILQBMJMCXXMZDY-UHFFFAOYSA-N 2 1 326.831 3.451 20 0 EGADMP Oc1cccnc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001138397602 1377717336 /nfs/dbraw/zinc/71/73/36/1377717336.db2.gz XEWKMAPQKRPLBI-MOPGFXCFSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cccnc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001138397602 1377717337 /nfs/dbraw/zinc/71/73/37/1377717337.db2.gz XEWKMAPQKRPLBI-MOPGFXCFSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cccnc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001138397602 1377717338 /nfs/dbraw/zinc/71/73/38/1377717338.db2.gz XEWKMAPQKRPLBI-MOPGFXCFSA-N 2 1 337.467 3.131 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)cc1 ZINC001138549271 1377740946 /nfs/dbraw/zinc/74/09/46/1377740946.db2.gz UJCTVYYVVKRIOQ-FQEVSTJZSA-N 2 1 334.423 3.229 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)cc1 ZINC001138549271 1377740947 /nfs/dbraw/zinc/74/09/47/1377740947.db2.gz UJCTVYYVVKRIOQ-FQEVSTJZSA-N 2 1 334.423 3.229 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)cc1 ZINC001138769265 1377782271 /nfs/dbraw/zinc/78/22/71/1377782271.db2.gz MKRFSKNCAONESJ-INIZCTEOSA-N 2 1 330.394 3.196 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCCC(F)(F)[C@@H](F)C2)cc1 ZINC001138769265 1377782272 /nfs/dbraw/zinc/78/22/72/1377782272.db2.gz MKRFSKNCAONESJ-INIZCTEOSA-N 2 1 330.394 3.196 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)nn1C ZINC001138828252 1377792690 /nfs/dbraw/zinc/79/26/90/1377792690.db2.gz UAFUNYSFEMVDEY-LJQANCHMSA-N 2 1 342.487 3.198 20 0 EGADMP C[NH+]1CCN(c2ncc(C[NH+]3CCC4(CCCC4)CC3)s2)CC1 ZINC001139321218 1377867664 /nfs/dbraw/zinc/86/76/64/1377867664.db2.gz DEKVBGRWPVWCTD-UHFFFAOYSA-N 2 1 334.533 3.051 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc5n[nH]cc5c4)C[C@@H]3C2)cc1 ZINC001140385546 1378055230 /nfs/dbraw/zinc/05/52/30/1378055230.db2.gz FFAFQQNRVDRJDI-OYRHEFFESA-N 2 1 346.478 3.435 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc5n[nH]cc5c4)C[C@@H]3C2)cc1 ZINC001140385546 1378055231 /nfs/dbraw/zinc/05/52/31/1378055231.db2.gz FFAFQQNRVDRJDI-OYRHEFFESA-N 2 1 346.478 3.435 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc5n[nH]cc5c4)C[C@@H]3C2)cc1 ZINC001140385546 1378055232 /nfs/dbraw/zinc/05/52/32/1378055232.db2.gz FFAFQQNRVDRJDI-OYRHEFFESA-N 2 1 346.478 3.435 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc5n[nH]cc5c4)C[C@@H]3C2)cc1 ZINC001140385546 1378055233 /nfs/dbraw/zinc/05/52/33/1378055233.db2.gz FFAFQQNRVDRJDI-OYRHEFFESA-N 2 1 346.478 3.435 20 0 EGADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(OC)c(OCC2CC2)c1 ZINC001140492285 1378072236 /nfs/dbraw/zinc/07/22/36/1378072236.db2.gz SBRPPDQTYSXNAF-UHFFFAOYSA-N 2 1 329.444 3.203 20 0 EGADMP CC(C)=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC[NH+]1CCCCC1 ZINC001272717178 1378079880 /nfs/dbraw/zinc/07/98/80/1378079880.db2.gz QORZAGWEQINPKI-NRFANRHFSA-N 2 1 347.547 3.286 20 0 EGADMP CC(C)=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCC[NH+]1CCCCC1 ZINC001272717178 1378079884 /nfs/dbraw/zinc/07/98/84/1378079884.db2.gz QORZAGWEQINPKI-NRFANRHFSA-N 2 1 347.547 3.286 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1csc2ccccc12 ZINC001140636609 1378102755 /nfs/dbraw/zinc/10/27/55/1378102755.db2.gz XJNQUNQSDCWDRM-ZWKOTPCHSA-N 2 1 329.513 3.112 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1ccc(C)cc1 ZINC001273591598 1378105682 /nfs/dbraw/zinc/10/56/82/1378105682.db2.gz XQKPDCXAHBJSJA-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CCC[N@H+](C)Cc1ccc(C)cc1 ZINC001273591598 1378105685 /nfs/dbraw/zinc/10/56/85/1378105685.db2.gz XQKPDCXAHBJSJA-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CCC[N@@H+](C)Cc1ccc(C)cc1 ZINC001273591598 1378105686 /nfs/dbraw/zinc/10/56/86/1378105686.db2.gz XQKPDCXAHBJSJA-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@H]2CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001275166597 1378137164 /nfs/dbraw/zinc/13/71/64/1378137164.db2.gz BBAXPBPFNVNLKF-SOAGJPPSSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cc4c(c(Cl)c3)OCO4)CC2)C1 ZINC001275722307 1378153508 /nfs/dbraw/zinc/15/35/08/1378153508.db2.gz QHHJXGIPJKRARC-UHFFFAOYSA-N 2 1 336.863 3.377 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2[nH]cc(C)c2C)CC1 ZINC001140864040 1378162425 /nfs/dbraw/zinc/16/24/25/1378162425.db2.gz FWESHVXGRVLJJZ-UHFFFAOYSA-N 2 1 334.552 3.261 20 0 EGADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cccc(-c4cncnc4)c3)C2)C1 ZINC001276336246 1378171859 /nfs/dbraw/zinc/17/18/59/1378171859.db2.gz HOQLMJGOUJKRRA-NRFANRHFSA-N 2 1 336.483 3.451 20 0 EGADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3cccc(-c4cncnc4)c3)C2)C1 ZINC001276336246 1378171861 /nfs/dbraw/zinc/17/18/61/1378171861.db2.gz HOQLMJGOUJKRRA-NRFANRHFSA-N 2 1 336.483 3.451 20 0 EGADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cccc(-c4cncnc4)c3)C2)C1 ZINC001276336246 1378171865 /nfs/dbraw/zinc/17/18/65/1378171865.db2.gz HOQLMJGOUJKRRA-NRFANRHFSA-N 2 1 336.483 3.451 20 0 EGADMP C[N@H+]1CCCC2(CC[NH+](Cc3cn4ccc(Cl)cc4n3)CC2)C1 ZINC001276491614 1378175969 /nfs/dbraw/zinc/17/59/69/1378175969.db2.gz LDMBXNSWLKWSFV-UHFFFAOYSA-N 2 1 332.879 3.296 20 0 EGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(-c4ccc(F)cc4)n3)C2)C1 ZINC001141208535 1378269942 /nfs/dbraw/zinc/26/99/42/1378269942.db2.gz FPXYMPBEPBWXCB-HXUWFJFHSA-N 2 1 325.431 3.415 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(-c4ccc(F)cc4)n3)C2)C1 ZINC001141208535 1378269946 /nfs/dbraw/zinc/26/99/46/1378269946.db2.gz FPXYMPBEPBWXCB-HXUWFJFHSA-N 2 1 325.431 3.415 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(-c4ccc(F)cc4)n3)C2)C1 ZINC001141208535 1378269950 /nfs/dbraw/zinc/26/99/50/1378269950.db2.gz FPXYMPBEPBWXCB-HXUWFJFHSA-N 2 1 325.431 3.415 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(-c4ccc(F)cc4)n3)C2)C1 ZINC001141208535 1378269956 /nfs/dbraw/zinc/26/99/56/1378269956.db2.gz FPXYMPBEPBWXCB-HXUWFJFHSA-N 2 1 325.431 3.415 20 0 EGADMP c1n[nH]cc1C[NH+]1CC[C@H]2C[N@@H+](Cc3c[nH]c4ccccc34)C[C@H]2CC1 ZINC001279170980 1378300637 /nfs/dbraw/zinc/30/06/37/1378300637.db2.gz FFVNUAPLCSVIPO-HDICACEKSA-N 2 1 349.482 3.235 20 0 EGADMP c1n[nH]cc1C[N@@H+]1CC[C@H]2C[NH+](Cc3c[nH]c4ccccc34)C[C@H]2CC1 ZINC001279170980 1378300645 /nfs/dbraw/zinc/30/06/45/1378300645.db2.gz FFVNUAPLCSVIPO-HDICACEKSA-N 2 1 349.482 3.235 20 0 EGADMP c1n[nH]cc1C[N@H+]1CC[C@H]2C[NH+](Cc3c[nH]c4ccccc34)C[C@H]2CC1 ZINC001279170980 1378300653 /nfs/dbraw/zinc/30/06/53/1378300653.db2.gz FFVNUAPLCSVIPO-HDICACEKSA-N 2 1 349.482 3.235 20 0 EGADMP c1c[nH]c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccc5c[nH]nc5c4)C[C@H]3CC2)c1 ZINC001279440762 1378308951 /nfs/dbraw/zinc/30/89/51/1378308951.db2.gz NDLDVMVEMWFKJK-KDURUIRLSA-N 2 1 349.482 3.235 20 0 EGADMP c1c[nH]c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccc5c[nH]nc5c4)C[C@H]3CC2)c1 ZINC001279440762 1378308956 /nfs/dbraw/zinc/30/89/56/1378308956.db2.gz NDLDVMVEMWFKJK-KDURUIRLSA-N 2 1 349.482 3.235 20 0 EGADMP c1c[nH]c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccc5c[nH]nc5c4)C[C@H]3CC2)c1 ZINC001279440762 1378308959 /nfs/dbraw/zinc/30/89/59/1378308959.db2.gz NDLDVMVEMWFKJK-KDURUIRLSA-N 2 1 349.482 3.235 20 0 EGADMP CC[C@H](C(=O)NCC1=CC[N@@H+](CCCC2CCCC2)CC1)[NH+](C)C ZINC001279583353 1378314228 /nfs/dbraw/zinc/31/42/28/1378314228.db2.gz XFDLFHQQECHQJM-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3c(C)onc3-c3ccccc3)C[C@H]2C1 ZINC001141992153 1378402380 /nfs/dbraw/zinc/40/23/80/1378402380.db2.gz DGDSUTCSXPDMKP-QZTJIDSGSA-N 2 1 325.456 3.424 20 0 EGADMP CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001281950243 1378462329 /nfs/dbraw/zinc/46/23/29/1378462329.db2.gz SUXQZIGPMYCTJM-IBGZPJMESA-N 2 1 345.531 3.127 20 0 EGADMP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001282494821 1378513197 /nfs/dbraw/zinc/51/31/97/1378513197.db2.gz QOOOCGDGUPWXLX-MOPGFXCFSA-N 2 1 345.531 3.450 20 0 EGADMP C[N@H+](Cc1ccc(F)c(OC(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC001143444175 1378598138 /nfs/dbraw/zinc/59/81/38/1378598138.db2.gz ZGIUIBXGEJTEAW-UHFFFAOYSA-N 2 1 334.357 3.498 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001143831212 1378651039 /nfs/dbraw/zinc/65/10/39/1378651039.db2.gz BWFVMMKBWCSRME-HKUYNNGSSA-N 2 1 345.531 3.352 20 0 EGADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(Br)c(OC)c1 ZINC001144234293 1378702788 /nfs/dbraw/zinc/70/27/88/1378702788.db2.gz RAOXNJGULLVVJH-UHFFFAOYSA-N 2 1 338.249 3.176 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccc4cc[nH]c43)C2)C1 ZINC001144712282 1378762711 /nfs/dbraw/zinc/76/27/11/1378762711.db2.gz RLXIJGPNDYLXTN-OAQYLSRUSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccc4cc[nH]c43)C2)C1 ZINC001144712282 1378762712 /nfs/dbraw/zinc/76/27/12/1378762712.db2.gz RLXIJGPNDYLXTN-OAQYLSRUSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3cccc4cc[nH]c43)C2)C1 ZINC001144712282 1378762713 /nfs/dbraw/zinc/76/27/13/1378762713.db2.gz RLXIJGPNDYLXTN-OAQYLSRUSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3cccc4cc[nH]c43)C2)C1 ZINC001144712282 1378762714 /nfs/dbraw/zinc/76/27/14/1378762714.db2.gz RLXIJGPNDYLXTN-OAQYLSRUSA-N 2 1 341.499 3.491 20 0 EGADMP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1C ZINC001146593897 1378872834 /nfs/dbraw/zinc/87/28/34/1378872834.db2.gz RDFMGBRRELMANL-ROUUACIJSA-N 2 1 333.520 3.017 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001146592729 1378873693 /nfs/dbraw/zinc/87/36/93/1378873693.db2.gz KXOJQUYTXBKGQW-DLBZAZTESA-N 2 1 325.541 3.170 20 0 EGADMP Cc1cc(C)c(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001146591037 1378873725 /nfs/dbraw/zinc/87/37/25/1378873725.db2.gz FOPSWNWNQCOLHA-RTBURBONSA-N 2 1 347.547 3.325 20 0 EGADMP CCCc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001146593849 1378873805 /nfs/dbraw/zinc/87/38/05/1378873805.db2.gz QQISHEBFJLBJSA-ZWKOTPCHSA-N 2 1 347.547 3.352 20 0 EGADMP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001146594870 1378874792 /nfs/dbraw/zinc/87/47/92/1378874792.db2.gz VSVQRLZDUAOYLZ-ZWKOTPCHSA-N 2 1 333.520 3.017 20 0 EGADMP CCCCC[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147992837 1379104221 /nfs/dbraw/zinc/10/42/21/1379104221.db2.gz OHDYCFLHFOYTNT-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCCC(C)C)C2)[NH+](CC)CC ZINC001148285142 1379145921 /nfs/dbraw/zinc/14/59/21/1379145921.db2.gz NYRJOVQUVGMUGL-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccccc2C(C)C)C[C@H]1C ZINC001284018598 1379367341 /nfs/dbraw/zinc/36/73/41/1379367341.db2.gz UKAFECGVTABVHC-IEBWSBKVSA-N 2 1 345.531 3.231 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1CCCC1CCCC1 ZINC001284131399 1379513167 /nfs/dbraw/zinc/51/31/67/1379513167.db2.gz KZVQRHVLYMDAGB-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001327925917 1388625573 /nfs/dbraw/zinc/62/55/73/1388625573.db2.gz PZNADZMKJZOIGP-XLIONFOSSA-N 2 1 345.531 3.088 20 0 EGADMP CC[C@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153367681 1380066401 /nfs/dbraw/zinc/06/64/01/1380066401.db2.gz CBEZMWNWKRLWKK-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCC2CCCC2)CC[N@H+]1C ZINC001153463982 1380081465 /nfs/dbraw/zinc/08/14/65/1380081465.db2.gz FFRYMOSSFSXJIN-NZSAHSFTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCC2CCCC2)CC[NH+]1C ZINC001153463982 1380081468 /nfs/dbraw/zinc/08/14/68/1380081468.db2.gz FFRYMOSSFSXJIN-NZSAHSFTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCC2CCCC2)CC[NH+]1C ZINC001153463982 1380081470 /nfs/dbraw/zinc/08/14/70/1380081470.db2.gz FFRYMOSSFSXJIN-NZSAHSFTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1C ZINC001153720691 1380119080 /nfs/dbraw/zinc/11/90/80/1380119080.db2.gz LXGPCOCXKMKAJU-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1C ZINC001153720691 1380119082 /nfs/dbraw/zinc/11/90/82/1380119082.db2.gz LXGPCOCXKMKAJU-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1C ZINC001153720691 1380119084 /nfs/dbraw/zinc/11/90/84/1380119084.db2.gz LXGPCOCXKMKAJU-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001153814683 1380134971 /nfs/dbraw/zinc/13/49/71/1380134971.db2.gz RUPMLQQFVHUQLT-MOPGFXCFSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001153814683 1380134973 /nfs/dbraw/zinc/13/49/73/1380134973.db2.gz RUPMLQQFVHUQLT-MOPGFXCFSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001153814683 1380134974 /nfs/dbraw/zinc/13/49/74/1380134974.db2.gz RUPMLQQFVHUQLT-MOPGFXCFSA-N 2 1 339.568 3.227 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001153818787 1380136020 /nfs/dbraw/zinc/13/60/20/1380136020.db2.gz APDKFMIBGVNSNL-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CCC(C)C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001153818787 1380136021 /nfs/dbraw/zinc/13/60/21/1380136021.db2.gz APDKFMIBGVNSNL-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CCC(C)C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001153818787 1380136023 /nfs/dbraw/zinc/13/60/23/1380136023.db2.gz APDKFMIBGVNSNL-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153819001 1380136087 /nfs/dbraw/zinc/13/60/87/1380136087.db2.gz JWFKOCIZKBAQBI-FAPWYTRCSA-N 2 1 337.552 3.432 20 0 EGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001153819001 1380136088 /nfs/dbraw/zinc/13/60/88/1380136088.db2.gz JWFKOCIZKBAQBI-FAPWYTRCSA-N 2 1 337.552 3.432 20 0 EGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001153819001 1380136089 /nfs/dbraw/zinc/13/60/89/1380136089.db2.gz JWFKOCIZKBAQBI-FAPWYTRCSA-N 2 1 337.552 3.432 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990707 1380172811 /nfs/dbraw/zinc/17/28/11/1380172811.db2.gz PTIUVSJFHPQESP-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099389 1380207518 /nfs/dbraw/zinc/20/75/18/1380207518.db2.gz JLPYMCMPYUZTTQ-MRXNPFEDSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CC1CCC1)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001154099389 1380207520 /nfs/dbraw/zinc/20/75/20/1380207520.db2.gz JLPYMCMPYUZTTQ-MRXNPFEDSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CC1CCC1)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001154099389 1380207524 /nfs/dbraw/zinc/20/75/24/1380207524.db2.gz JLPYMCMPYUZTTQ-MRXNPFEDSA-N 2 1 337.552 3.266 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154122752 1380212432 /nfs/dbraw/zinc/21/24/32/1380212432.db2.gz JKECQANNHWIJEI-HKVOBHHDSA-N 2 1 337.552 3.290 20 0 EGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001154122752 1380212435 /nfs/dbraw/zinc/21/24/35/1380212435.db2.gz JKECQANNHWIJEI-HKVOBHHDSA-N 2 1 337.552 3.290 20 0 EGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001154122752 1380212438 /nfs/dbraw/zinc/21/24/38/1380212438.db2.gz JKECQANNHWIJEI-HKVOBHHDSA-N 2 1 337.552 3.290 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154123041 1380213217 /nfs/dbraw/zinc/21/32/17/1380213217.db2.gz MDOYRJSLGMSIOH-MJGOQNOKSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001154123041 1380213219 /nfs/dbraw/zinc/21/32/19/1380213219.db2.gz MDOYRJSLGMSIOH-MJGOQNOKSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001154123041 1380213221 /nfs/dbraw/zinc/21/32/21/1380213221.db2.gz MDOYRJSLGMSIOH-MJGOQNOKSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@@H+](Cc1ccsc1)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178783 1380221991 /nfs/dbraw/zinc/22/19/91/1380221991.db2.gz QUNQJXSJSMYYDI-CQSZACIVSA-N 2 1 342.468 3.036 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154179234 1380222077 /nfs/dbraw/zinc/22/20/77/1380222077.db2.gz ZTAZXYCIOXQUBE-MRXNPFEDSA-N 2 1 330.476 3.211 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154347449 1380261036 /nfs/dbraw/zinc/26/10/36/1380261036.db2.gz AFLUDWCCLKFDHD-MRXNPFEDSA-N 2 1 342.487 3.355 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455102 1380280485 /nfs/dbraw/zinc/28/04/85/1380280485.db2.gz FNKTZHDRDUAFHE-TWPWWVQHSA-N 2 1 349.563 3.434 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464140 1380282577 /nfs/dbraw/zinc/28/25/77/1380282577.db2.gz GAMIZWOFDPQAGC-QGZVFWFLSA-N 2 1 325.541 3.268 20 0 EGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001154464140 1380282578 /nfs/dbraw/zinc/28/25/78/1380282578.db2.gz GAMIZWOFDPQAGC-QGZVFWFLSA-N 2 1 325.541 3.268 20 0 EGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001154464140 1380282579 /nfs/dbraw/zinc/28/25/79/1380282579.db2.gz GAMIZWOFDPQAGC-QGZVFWFLSA-N 2 1 325.541 3.268 20 0 EGADMP CC[C@@H](F)C[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464521 1380282961 /nfs/dbraw/zinc/28/29/61/1380282961.db2.gz OANAHFDDYKHNBQ-IAGOWNOFSA-N 2 1 343.531 3.216 20 0 EGADMP CC[C@@H](F)C[NH+](CC)[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001154464521 1380282964 /nfs/dbraw/zinc/28/29/64/1380282964.db2.gz OANAHFDDYKHNBQ-IAGOWNOFSA-N 2 1 343.531 3.216 20 0 EGADMP CC[C@@H](F)C[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001154464521 1380282966 /nfs/dbraw/zinc/28/29/66/1380282966.db2.gz OANAHFDDYKHNBQ-IAGOWNOFSA-N 2 1 343.531 3.216 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580364 1380309785 /nfs/dbraw/zinc/30/97/85/1380309785.db2.gz VTVDGEPBXHBFSW-QZEKMECESA-N 2 1 337.552 3.434 20 0 EGADMP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898245 1380374127 /nfs/dbraw/zinc/37/41/27/1380374127.db2.gz CNMLYVVNBXKUBR-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066568 1380401596 /nfs/dbraw/zinc/40/15/96/1380401596.db2.gz JVVUHAYDJKDICM-UYAOXDASSA-N 2 1 347.547 3.216 20 0 EGADMP CC[N@@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155085822 1380406055 /nfs/dbraw/zinc/40/60/55/1380406055.db2.gz UPOIAUZXIVPTMG-RCCFBDPRSA-N 2 1 327.557 3.081 20 0 EGADMP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH]cnc21 ZINC001155192861 1380422466 /nfs/dbraw/zinc/42/24/66/1380422466.db2.gz CUXREZJOAIGSJE-CVEARBPZSA-N 2 1 334.508 3.237 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH]cnc21 ZINC001155192861 1380422467 /nfs/dbraw/zinc/42/24/67/1380422467.db2.gz CUXREZJOAIGSJE-CVEARBPZSA-N 2 1 334.508 3.237 20 0 EGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155227085 1380426778 /nfs/dbraw/zinc/42/67/78/1380426778.db2.gz UAJGEZBTQLGYTA-QZTJIDSGSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155227085 1380426779 /nfs/dbraw/zinc/42/67/79/1380426779.db2.gz UAJGEZBTQLGYTA-QZTJIDSGSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155227085 1380426780 /nfs/dbraw/zinc/42/67/80/1380426780.db2.gz UAJGEZBTQLGYTA-QZTJIDSGSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001155237696 1380428066 /nfs/dbraw/zinc/42/80/66/1380428066.db2.gz GGOOLCDMMVZZBL-APWZRJJASA-N 2 1 343.531 3.072 20 0 EGADMP CC[NH+](CCC(C)C)[C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001155237696 1380428068 /nfs/dbraw/zinc/42/80/68/1380428068.db2.gz GGOOLCDMMVZZBL-APWZRJJASA-N 2 1 343.531 3.072 20 0 EGADMP CC[NH+](CCC(C)C)[C@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001155237696 1380428069 /nfs/dbraw/zinc/42/80/69/1380428069.db2.gz GGOOLCDMMVZZBL-APWZRJJASA-N 2 1 343.531 3.072 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263616 1380430220 /nfs/dbraw/zinc/43/02/20/1380430220.db2.gz SXEMSIKVCMYQQR-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](CCC1CCCC1)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001155263616 1380430222 /nfs/dbraw/zinc/43/02/22/1380430222.db2.gz SXEMSIKVCMYQQR-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](CCC1CCCC1)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001155263616 1380430223 /nfs/dbraw/zinc/43/02/23/1380430223.db2.gz SXEMSIKVCMYQQR-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001155621953 1380475427 /nfs/dbraw/zinc/47/54/27/1380475427.db2.gz UVLWEQNKLGMEJU-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001155621953 1380475428 /nfs/dbraw/zinc/47/54/28/1380475428.db2.gz UVLWEQNKLGMEJU-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001155621953 1380475430 /nfs/dbraw/zinc/47/54/30/1380475430.db2.gz UVLWEQNKLGMEJU-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631734 1380476629 /nfs/dbraw/zinc/47/66/29/1380476629.db2.gz YZOADCHELYWQHC-QGZVFWFLSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155993991 1380511705 /nfs/dbraw/zinc/51/17/05/1380511705.db2.gz DQFLSWSRTNHGTH-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP Cc1[nH]c2nc[nH+]c(NCc3cccnc3C3CC[NH2+]CC3)c2c1C ZINC001155999387 1380511971 /nfs/dbraw/zinc/51/19/71/1380511971.db2.gz BLWCACMPPGKCJK-UHFFFAOYSA-N 2 1 336.443 3.049 20 0 EGADMP CC[NH+](Cc1cc2ccccc2o1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156200854 1380541629 /nfs/dbraw/zinc/54/16/29/1380541629.db2.gz RJKBYCHKTUCRKR-MRXNPFEDSA-N 2 1 345.487 3.101 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc2ccccc2o1 ZINC001156200854 1380541630 /nfs/dbraw/zinc/54/16/30/1380541630.db2.gz RJKBYCHKTUCRKR-MRXNPFEDSA-N 2 1 345.487 3.101 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc2ccccc2o1 ZINC001156200854 1380541633 /nfs/dbraw/zinc/54/16/33/1380541633.db2.gz RJKBYCHKTUCRKR-MRXNPFEDSA-N 2 1 345.487 3.101 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4ccc5c(n4)CC[NH2+]C5)[C@@H]3C2)cc1 ZINC001156313810 1380556744 /nfs/dbraw/zinc/55/67/44/1380556744.db2.gz CIZNURKLJFPTGE-QKNQBKEWSA-N 2 1 348.494 3.050 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428579 1380574993 /nfs/dbraw/zinc/57/49/93/1380574993.db2.gz SWNCVSBIRXRVPM-MRXNPFEDSA-N 2 1 346.519 3.168 20 0 EGADMP CC[N@@H+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156465935 1380579660 /nfs/dbraw/zinc/57/96/60/1380579660.db2.gz IDFPHTUINMTIOR-LJQANCHMSA-N 2 1 347.547 3.362 20 0 EGADMP CCN(C)c1cc(C)[nH+]c(NC[C@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC001156522491 1380587666 /nfs/dbraw/zinc/58/76/66/1380587666.db2.gz AKMGPZCRCGJJCT-GOSISDBHSA-N 2 1 339.487 3.490 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C[C@@H](C)CC(C)C)CC1(C)C ZINC001328098841 1388670231 /nfs/dbraw/zinc/67/02/31/1388670231.db2.gz QRVLPSSPYHPLBQ-ZWKOTPCHSA-N 2 1 339.568 3.227 20 0 EGADMP CC[N@H+]1CCCC[C@H]1c1ccc(-n2nc(C[NH3+])c3ccccc32)nc1 ZINC001156865400 1380709532 /nfs/dbraw/zinc/70/95/32/1380709532.db2.gz YRJADBXABWHVSS-SFHVURJKSA-N 2 1 335.455 3.426 20 0 EGADMP CC[N@@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890552 1380718912 /nfs/dbraw/zinc/71/89/12/1380718912.db2.gz OQGUNFWKHIIKAA-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCC1CCCCCC1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156890552 1380718919 /nfs/dbraw/zinc/71/89/19/1380718919.db2.gz OQGUNFWKHIIKAA-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCC1CCCCCC1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156890552 1380718924 /nfs/dbraw/zinc/71/89/24/1380718924.db2.gz OQGUNFWKHIIKAA-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157081368 1380770963 /nfs/dbraw/zinc/77/09/63/1380770963.db2.gz MBPWJDIAALYBLQ-LJQANCHMSA-N 2 1 345.531 3.198 20 0 EGADMP CC[N@@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109942 1380779181 /nfs/dbraw/zinc/77/91/81/1380779181.db2.gz WHILZWUUPVCJBN-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](Cc1cccc(F)c1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001157109942 1380779184 /nfs/dbraw/zinc/77/91/84/1380779184.db2.gz WHILZWUUPVCJBN-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](Cc1cccc(F)c1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001157109942 1380779188 /nfs/dbraw/zinc/77/91/88/1380779188.db2.gz WHILZWUUPVCJBN-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CC[N@@H+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113273 1380779236 /nfs/dbraw/zinc/77/92/36/1380779236.db2.gz GCMNJOBPLPBJMW-GOSISDBHSA-N 2 1 347.547 3.477 20 0 EGADMP CC[NH+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157113273 1380779239 /nfs/dbraw/zinc/77/92/39/1380779239.db2.gz GCMNJOBPLPBJMW-GOSISDBHSA-N 2 1 347.547 3.477 20 0 EGADMP CC[NH+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157113273 1380779240 /nfs/dbraw/zinc/77/92/40/1380779240.db2.gz GCMNJOBPLPBJMW-GOSISDBHSA-N 2 1 347.547 3.477 20 0 EGADMP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157132202 1380783195 /nfs/dbraw/zinc/78/31/95/1380783195.db2.gz FLKSACFDAOYNCN-NREOILKTSA-N 2 1 345.531 3.472 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157132202 1380783200 /nfs/dbraw/zinc/78/32/00/1380783200.db2.gz FLKSACFDAOYNCN-NREOILKTSA-N 2 1 345.531 3.472 20 0 EGADMP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001157965096 1381083695 /nfs/dbraw/zinc/08/36/95/1381083695.db2.gz NMWXTMJEJOTBCX-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)C[C@H](C)CC(C)C)[NH+](C)C ZINC001158118151 1381133396 /nfs/dbraw/zinc/13/33/96/1381133396.db2.gz SXTAMZUMEWILRK-GUDVDZBRSA-N 2 1 339.568 3.322 20 0 EGADMP Cc1ccc2nc(Cl)cc(N3CCC([N@@H+]4CC[C@@H]([NH3+])C4)CC3)c2c1 ZINC001158259792 1381175289 /nfs/dbraw/zinc/17/52/89/1381175289.db2.gz VHDYIJNAMSANDU-CQSZACIVSA-N 2 1 344.890 3.198 20 0 EGADMP Cc1ccc2nc(Cl)cc(N3CCC([N@H+]4CC[C@@H]([NH3+])C4)CC3)c2c1 ZINC001158259792 1381175290 /nfs/dbraw/zinc/17/52/90/1381175290.db2.gz VHDYIJNAMSANDU-CQSZACIVSA-N 2 1 344.890 3.198 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CCC2)CCCC1 ZINC001158282906 1381184290 /nfs/dbraw/zinc/18/42/90/1381184290.db2.gz DSDIMZCQAZPBCE-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@H](C)c2cc(C)ccc2C)CC[N@H+]1C ZINC001158412936 1381237682 /nfs/dbraw/zinc/23/76/82/1381237682.db2.gz TYZQRRPTHIRCQJ-WSTZPKSXSA-N 2 1 345.531 3.191 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH2+]Cc1ccc(C)cc1 ZINC001158421043 1381241408 /nfs/dbraw/zinc/24/14/08/1381241408.db2.gz QXFWIMRMGFXXFA-KRWDZBQOSA-N 2 1 342.487 3.001 20 0 EGADMP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001158480550 1381262145 /nfs/dbraw/zinc/26/21/45/1381262145.db2.gz NTPVJMADRROBKF-OVKVCFKUSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001158480550 1381262154 /nfs/dbraw/zinc/26/21/54/1381262154.db2.gz NTPVJMADRROBKF-OVKVCFKUSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001158480550 1381262161 /nfs/dbraw/zinc/26/21/61/1381262161.db2.gz NTPVJMADRROBKF-OVKVCFKUSA-N 2 1 349.563 3.388 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC(C)C)[NH+](C)C ZINC001158486884 1381264130 /nfs/dbraw/zinc/26/41/30/1381264130.db2.gz LSNPUZFRIPRBGT-MSOLQXFVSA-N 2 1 325.541 3.076 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)C(C)C ZINC001158604956 1381316089 /nfs/dbraw/zinc/31/60/89/1381316089.db2.gz GNKLOWQBYFVBSR-GOSISDBHSA-N 2 1 325.541 3.220 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)C(C)C ZINC001158604956 1381316095 /nfs/dbraw/zinc/31/60/95/1381316095.db2.gz GNKLOWQBYFVBSR-GOSISDBHSA-N 2 1 325.541 3.220 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)C(C)C ZINC001158604956 1381316101 /nfs/dbraw/zinc/31/61/01/1381316101.db2.gz GNKLOWQBYFVBSR-GOSISDBHSA-N 2 1 325.541 3.220 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158768123 1381389109 /nfs/dbraw/zinc/38/91/09/1381389109.db2.gz JKNFMDYMGYPGCA-QZTJIDSGSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001158786681 1381399810 /nfs/dbraw/zinc/39/98/10/1381399810.db2.gz FBXMQPJYYQPZDS-GOSISDBHSA-N 2 1 325.541 3.221 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001158786681 1381399817 /nfs/dbraw/zinc/39/98/17/1381399817.db2.gz FBXMQPJYYQPZDS-GOSISDBHSA-N 2 1 325.541 3.221 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001158786681 1381399808 /nfs/dbraw/zinc/39/98/08/1381399808.db2.gz FBXMQPJYYQPZDS-GOSISDBHSA-N 2 1 325.541 3.221 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(Br)cn2)C1 ZINC001328379409 1388733909 /nfs/dbraw/zinc/73/39/09/1388733909.db2.gz WZVGCVJKLRFMHC-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(Br)cn2)C1 ZINC001328379409 1388733911 /nfs/dbraw/zinc/73/39/11/1388733911.db2.gz WZVGCVJKLRFMHC-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP CC[NH+](CC)c1ccc(Nc2cccnc2N2CC[NH2+]CC2)cc1 ZINC001159187041 1381723620 /nfs/dbraw/zinc/72/36/20/1381723620.db2.gz WROPGXVMHZBBBH-UHFFFAOYSA-N 2 1 325.460 3.081 20 0 EGADMP COC(=O)c1cccc2[nH+]cc(Nc3ccc([C@@H]4CCC[NH2+]4)cc3)n21 ZINC001159266795 1381747699 /nfs/dbraw/zinc/74/76/99/1381747699.db2.gz RVUWKKIMMRILMV-HNNXBMFYSA-N 2 1 336.395 3.289 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](CC)c1ccccc1 ZINC001159355549 1381775166 /nfs/dbraw/zinc/77/51/66/1381775166.db2.gz HADVDGXIRHBSLK-OALUTQOASA-N 2 1 331.504 3.108 20 0 EGADMP c1ccc(C[N@H+]2CCC=C(Nc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001159450282 1381797082 /nfs/dbraw/zinc/79/70/82/1381797082.db2.gz TVEPSASWJCPABA-UHFFFAOYSA-N 2 1 348.494 3.298 20 0 EGADMP c1ccc(C[N@@H+]2CC=C(Nc3ccc4c(c3)C[NH2+]CCO4)CC2)cc1 ZINC001159790895 1381901188 /nfs/dbraw/zinc/90/11/88/1381901188.db2.gz FAEDZWUOEREHSC-UHFFFAOYSA-N 2 1 335.451 3.370 20 0 EGADMP Cc1ccc(C[NH2+]CCCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)cc1C ZINC001159911054 1381934768 /nfs/dbraw/zinc/93/47/68/1381934768.db2.gz XDGQCNFEZIAHOG-FQEVSTJZSA-N 2 1 345.531 3.162 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]ccn21)c1ccccc1 ZINC001159917552 1381936085 /nfs/dbraw/zinc/93/60/85/1381936085.db2.gz ZGKMORIOBBZKOD-ZWKOTPCHSA-N 2 1 340.471 3.008 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)CC[C@H]2CCC[N@H+]2C)c1 ZINC001160274459 1382057886 /nfs/dbraw/zinc/05/78/86/1382057886.db2.gz SPWYBFFZOZZDJO-RBUKOAKNSA-N 2 1 345.531 3.335 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160273399 1382058143 /nfs/dbraw/zinc/05/81/43/1382058143.db2.gz LUBRTBVFQXDKJA-QZTJIDSGSA-N 2 1 331.504 3.026 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001160273800 1382058523 /nfs/dbraw/zinc/05/85/23/1382058523.db2.gz OGLNLVLNJGEUBI-KKSMZRNKSA-N 2 1 343.515 3.060 20 0 EGADMP C[N@@H+](CC(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1)C1CCC1 ZINC001160379569 1382088359 /nfs/dbraw/zinc/08/83/59/1382088359.db2.gz JCFYERWIGYGKAX-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+](CC(=O)NCCC1=CC[N@H+](CCCC(C)(C)C)CC1)C1CCC1 ZINC001160379569 1382088362 /nfs/dbraw/zinc/08/83/62/1382088362.db2.gz JCFYERWIGYGKAX-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+](CC(=O)NCCC1=CC[N@@H+](CCCC(C)(C)C)CC1)C1CCC1 ZINC001160379569 1382088368 /nfs/dbraw/zinc/08/83/68/1382088368.db2.gz JCFYERWIGYGKAX-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160400426 1382094891 /nfs/dbraw/zinc/09/48/91/1382094891.db2.gz QAYOJEAYJPJUNZ-IBGZPJMESA-N 2 1 335.536 3.189 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001160400426 1382094895 /nfs/dbraw/zinc/09/48/95/1382094895.db2.gz QAYOJEAYJPJUNZ-IBGZPJMESA-N 2 1 335.536 3.189 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001160400426 1382094899 /nfs/dbraw/zinc/09/48/99/1382094899.db2.gz QAYOJEAYJPJUNZ-IBGZPJMESA-N 2 1 335.536 3.189 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001160473486 1382117073 /nfs/dbraw/zinc/11/70/73/1382117073.db2.gz JPQKXUJXIKZKFK-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001160473486 1382117079 /nfs/dbraw/zinc/11/70/79/1382117079.db2.gz JPQKXUJXIKZKFK-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001160473486 1382117084 /nfs/dbraw/zinc/11/70/84/1382117084.db2.gz JPQKXUJXIKZKFK-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@H](C(=O)NCCC1=CC[N@@H+](C[C@H](C)CC(C)C)CC1)[NH+](C)C ZINC001160479017 1382117592 /nfs/dbraw/zinc/11/75/92/1382117592.db2.gz JLFSRNFOTHMYIJ-IEBWSBKVSA-N 2 1 337.552 3.147 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160491277 1382121044 /nfs/dbraw/zinc/12/10/44/1382121044.db2.gz AINOTDWLEWKHKF-GOSISDBHSA-N 2 1 347.547 3.047 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161028037 1382277246 /nfs/dbraw/zinc/27/72/46/1382277246.db2.gz DWXRESBJWDMVJL-GOSISDBHSA-N 2 1 337.552 3.149 20 0 EGADMP CC1CCC(C[N@@H+]2CC=C(CCNC(=O)CCC[NH+](C)C)CC2)CC1 ZINC001161030109 1382277664 /nfs/dbraw/zinc/27/76/64/1382277664.db2.gz WUTWHQLQOHBENQ-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP CC[C@@H](C(=O)NCCC1=CC[N@@H+](CC=C(C)C)CC1)[NH+](CC)CC ZINC001161214101 1382344550 /nfs/dbraw/zinc/34/45/50/1382344550.db2.gz TXABIDPOVVOPAN-IBGZPJMESA-N 2 1 335.536 3.211 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444322 1382412121 /nfs/dbraw/zinc/41/21/21/1382412121.db2.gz BZVXPXKOPPFVAD-PMACEKPBSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001161444322 1382412124 /nfs/dbraw/zinc/41/21/24/1382412124.db2.gz BZVXPXKOPPFVAD-PMACEKPBSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001161444322 1382412125 /nfs/dbraw/zinc/41/21/25/1382412125.db2.gz BZVXPXKOPPFVAD-PMACEKPBSA-N 2 1 345.531 3.108 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](CCC2=CCCCC2)CC1 ZINC001161645543 1382469247 /nfs/dbraw/zinc/46/92/47/1382469247.db2.gz KSIKIHHUVKGIDJ-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@H+](CCC2=CCCCC2)CC1 ZINC001161645543 1382469249 /nfs/dbraw/zinc/46/92/49/1382469249.db2.gz KSIKIHHUVKGIDJ-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CCC2=CCCCC2)CC1 ZINC001161645543 1382469251 /nfs/dbraw/zinc/46/92/51/1382469251.db2.gz KSIKIHHUVKGIDJ-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCC1=CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001161683151 1382480024 /nfs/dbraw/zinc/48/00/24/1382480024.db2.gz NTSMNTMVHMKIGO-FQEVSTJZSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCCC1=CC[N@@H+](C(C)C)CC1)c1ccccc1 ZINC001161683151 1382480027 /nfs/dbraw/zinc/48/00/27/1382480027.db2.gz NTSMNTMVHMKIGO-FQEVSTJZSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCCC1=CC[N@H+](C(C)C)CC1)c1ccccc1 ZINC001161683151 1382480030 /nfs/dbraw/zinc/48/00/30/1382480030.db2.gz NTSMNTMVHMKIGO-FQEVSTJZSA-N 2 1 343.515 3.226 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161705734 1382486096 /nfs/dbraw/zinc/48/60/96/1382486096.db2.gz XGKLETAQPYDGKD-UXHICEINSA-N 2 1 349.563 3.291 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NCCC2=CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001161856779 1382532660 /nfs/dbraw/zinc/53/26/60/1382532660.db2.gz FJOXNBJDJLKWID-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NCCC2=CC[N@H+](CCCC3CCCC3)CC2)C1 ZINC001161856779 1382532665 /nfs/dbraw/zinc/53/26/65/1382532665.db2.gz FJOXNBJDJLKWID-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NCCC2=CC[N@@H+](CCCC3CCCC3)CC2)C1 ZINC001161856779 1382532667 /nfs/dbraw/zinc/53/26/67/1382532667.db2.gz FJOXNBJDJLKWID-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161925178 1382556072 /nfs/dbraw/zinc/55/60/72/1382556072.db2.gz YLHZJJXLDQFLOF-QZTJIDSGSA-N 2 1 349.563 3.434 20 0 EGADMP Cc1cc(C[N@H+]2CC=C(CCNC(=O)C[NH+](C)C(C)C)CC2)cs1 ZINC001161946788 1382565909 /nfs/dbraw/zinc/56/59/09/1382565909.db2.gz DMMMAGISFCPMJL-UHFFFAOYSA-N 2 1 349.544 3.035 20 0 EGADMP Cc1cc(C[N@@H+]2CC=C(CCNC(=O)C[NH+](C)C(C)C)CC2)cs1 ZINC001161946788 1382565921 /nfs/dbraw/zinc/56/59/21/1382565921.db2.gz DMMMAGISFCPMJL-UHFFFAOYSA-N 2 1 349.544 3.035 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161952039 1382568115 /nfs/dbraw/zinc/56/81/15/1382568115.db2.gz AWUPUTVSFMMXMH-FQEVSTJZSA-N 2 1 349.563 3.291 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161952680 1382568778 /nfs/dbraw/zinc/56/87/78/1382568778.db2.gz IPOPEOJQYCFOSX-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161952686 1382570063 /nfs/dbraw/zinc/57/00/63/1382570063.db2.gz ISKBIRMRVWPNBL-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001161952686 1382570068 /nfs/dbraw/zinc/57/00/68/1382570068.db2.gz ISKBIRMRVWPNBL-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001161952686 1382570071 /nfs/dbraw/zinc/57/00/71/1382570071.db2.gz ISKBIRMRVWPNBL-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP [NH3+]C1(Cc2ccccc2F)CCN(c2ccc3c([nH+]2)CCC3)CC1 ZINC001161987305 1382590459 /nfs/dbraw/zinc/59/04/59/1382590459.db2.gz KZFPIDYEGSOPLB-UHFFFAOYSA-N 2 1 325.431 3.250 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161994281 1382593076 /nfs/dbraw/zinc/59/30/76/1382593076.db2.gz YCKNUGMORNUAPV-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP COC(=O)c1ccc(-c2ccc(N[C@H]3C[C@@](C)([NH3+])C3)[nH+]c2C)cc1 ZINC001162328999 1382730930 /nfs/dbraw/zinc/73/09/30/1382730930.db2.gz VUERUYVIZLZLJW-GLRZTSSQSA-N 2 1 325.412 3.135 20 0 EGADMP Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(N[C@H]3CCC[C@H]([NH3+])C3)c12 ZINC001162392595 1382746090 /nfs/dbraw/zinc/74/60/90/1382746090.db2.gz HMUKMXWZOJWPCT-GJZGRUSLSA-N 2 1 339.443 3.371 20 0 EGADMP Cc1nc(NCCCP(CCC[NH3+])c2ccccc2)c(C)c(C)[nH+]1 ZINC001162469119 1382767220 /nfs/dbraw/zinc/76/72/20/1382767220.db2.gz MVYDCYQUHVTUOS-UHFFFAOYSA-N 2 1 344.443 3.360 20 0 EGADMP CC[N@@H+]1CC=C(c2cnc(NC[C@]3(F)CCCC[NH2+]C3)c(C)c2)CC1 ZINC001162580676 1382798009 /nfs/dbraw/zinc/79/80/09/1382798009.db2.gz WFMDDGRXGWJPFY-FQEVSTJZSA-N 2 1 346.494 3.393 20 0 EGADMP CC[NH+](CC)Cc1c(Br)cccc1N[C@@H]1CC[NH2+][C@@H]1C ZINC001162676866 1382829768 /nfs/dbraw/zinc/82/97/68/1382829768.db2.gz ZIIOVPNTXAMTEO-IUODEOHRSA-N 2 1 340.309 3.453 20 0 EGADMP C[N@H+]1CC[C@H](c2ccc(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)cc2)C1 ZINC001162967281 1382930793 /nfs/dbraw/zinc/93/07/93/1382930793.db2.gz OBYZTMZUGQFCGH-ICSRJNTNSA-N 2 1 343.515 3.066 20 0 EGADMP CCN(C)c1cc[nH+]c(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)n1 ZINC001163314699 1383019482 /nfs/dbraw/zinc/01/94/82/1383019482.db2.gz GWJPQIKRTYBITH-MRXNPFEDSA-N 2 1 329.492 3.165 20 0 EGADMP COCC[N@@H+](C)[C@@H](CNc1cccc(N)[nH+]1)c1ccc(Cl)cc1 ZINC001163385639 1383037885 /nfs/dbraw/zinc/03/78/85/1383037885.db2.gz NMMBYYMYVULLFV-HNNXBMFYSA-N 2 1 334.851 3.049 20 0 EGADMP CC[C@H]([NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC001163822189 1383125697 /nfs/dbraw/zinc/12/56/97/1383125697.db2.gz UZZKUVBAPOGDNL-RBUKOAKNSA-N 2 1 343.515 3.108 20 0 EGADMP CCN(CC)c1c(F)cccc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164217140 1383167261 /nfs/dbraw/zinc/16/72/61/1383167261.db2.gz QLDWASOSXKKJSW-UHFFFAOYSA-N 2 1 336.499 3.110 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4ccc5c(n4)C[NH2+]CC5)[C@@H]3C2)cc1 ZINC001164486438 1383191897 /nfs/dbraw/zinc/19/18/97/1383191897.db2.gz NZQZRPBVIMHRFG-ZCNNSNEGSA-N 2 1 348.494 3.050 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4cnc5c(c4)C[NH2+]CC5)[C@H]3C2)cc1 ZINC001164491835 1383192565 /nfs/dbraw/zinc/19/25/65/1383192565.db2.gz HEXKLIQBMNTPDI-RBDMOPTHSA-N 2 1 348.494 3.050 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]CC2CCC(C)(C)CC2)CC[N@H+]1C ZINC001164574489 1383200465 /nfs/dbraw/zinc/20/04/65/1383200465.db2.gz OEFSNPOJAZJKQX-WMZOPIPTSA-N 2 1 337.552 3.029 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)nc1 ZINC001165182275 1383243156 /nfs/dbraw/zinc/24/31/56/1383243156.db2.gz JECVONOLXJHRCB-NSHGMRRFSA-N 2 1 328.504 3.016 20 0 EGADMP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001165331716 1383274964 /nfs/dbraw/zinc/27/49/64/1383274964.db2.gz ARYCDVDCVJQDPR-RURPWVQCSA-N 2 1 349.563 3.483 20 0 EGADMP [NH3+][C@@H]1CCc2c1cccc2NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001165398418 1383286146 /nfs/dbraw/zinc/28/61/46/1383286146.db2.gz KCQIGTOKRDTORO-HXUWFJFHSA-N 2 1 337.467 3.077 20 0 EGADMP CC(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165484151 1383300941 /nfs/dbraw/zinc/30/09/41/1383300941.db2.gz AAIFVPOMOFOAQH-LJQANCHMSA-N 2 1 349.563 3.316 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001165567976 1383310914 /nfs/dbraw/zinc/31/09/14/1383310914.db2.gz CUXASDMBJUGZRW-PYTPGESOSA-N 2 1 335.536 3.093 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001165737249 1383335863 /nfs/dbraw/zinc/33/58/63/1383335863.db2.gz QTHVSQSTCHLADW-OALUTQOASA-N 2 1 349.563 3.460 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001165809952 1383349579 /nfs/dbraw/zinc/34/95/79/1383349579.db2.gz VQBWLEABRXDVBZ-UHFFFAOYSA-N 2 1 325.541 3.029 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001328763750 1388848572 /nfs/dbraw/zinc/84/85/72/1388848572.db2.gz FYNJFYMVNIEJLG-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP C[N@@H+](CC(=O)NCCC[NH2+]CC1CCC(C)(C)CC1)CC(C)(C)C ZINC001166744227 1383469938 /nfs/dbraw/zinc/46/99/38/1383469938.db2.gz MKRFERVWIKKLLO-UHFFFAOYSA-N 2 1 339.568 3.277 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001167223880 1383570001 /nfs/dbraw/zinc/57/00/01/1383570001.db2.gz CSBCURBSZUUGRY-KRWDZBQOSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001167236042 1383571653 /nfs/dbraw/zinc/57/16/53/1383571653.db2.gz GKTVUUBFJKWYCO-PKOBYXMFSA-N 2 1 349.563 3.031 20 0 EGADMP C[NH+](C)CC[C@@H](c1ccc(N[C@H]2CC[N@@H+](C)C2)cc1)c1ccccn1 ZINC001167278174 1383583248 /nfs/dbraw/zinc/58/32/48/1383583248.db2.gz AWDFHJDJLWOGDC-PMACEKPBSA-N 2 1 338.499 3.281 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001167351938 1383607282 /nfs/dbraw/zinc/60/72/82/1383607282.db2.gz TYCBEIBRFPEREB-UHFFFAOYSA-N 2 1 348.535 3.319 20 0 EGADMP O[C@@]1(C[N@H+]2CCC3(C2)CCCCC3)CCN(Cc2ccccc2)C1 ZINC001167487483 1383648696 /nfs/dbraw/zinc/64/86/96/1383648696.db2.gz NQHGPPNTVMKTQM-NRFANRHFSA-N 2 1 328.500 3.280 20 0 EGADMP O[C@@]1(C[N@@H+]2CCC3(C2)CCCCC3)CC[NH+](Cc2ccccc2)C1 ZINC001167487483 1383648700 /nfs/dbraw/zinc/64/87/00/1383648700.db2.gz NQHGPPNTVMKTQM-NRFANRHFSA-N 2 1 328.500 3.280 20 0 EGADMP O[C@@]1(C[N@H+]2CCC3(C2)CCCCC3)CC[NH+](Cc2ccccc2)C1 ZINC001167487483 1383648704 /nfs/dbraw/zinc/64/87/04/1383648704.db2.gz NQHGPPNTVMKTQM-NRFANRHFSA-N 2 1 328.500 3.280 20 0 EGADMP O[C@@]1(C[NH+]2CCC3(C2)CCCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC001167487483 1383648706 /nfs/dbraw/zinc/64/87/06/1383648706.db2.gz NQHGPPNTVMKTQM-NRFANRHFSA-N 2 1 328.500 3.280 20 0 EGADMP O[C@@]1(C[NH+]2CCC3(C2)CCCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC001167487483 1383648709 /nfs/dbraw/zinc/64/87/09/1383648709.db2.gz NQHGPPNTVMKTQM-NRFANRHFSA-N 2 1 328.500 3.280 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2c(C)cccc2C)CC1 ZINC001167635386 1383694040 /nfs/dbraw/zinc/69/40/40/1383694040.db2.gz KHSPLOOWHVXSKD-UHFFFAOYSA-N 2 1 345.531 3.021 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC001167634290 1383694101 /nfs/dbraw/zinc/69/41/01/1383694101.db2.gz HMBDCIFZZLKELW-MJGOQNOKSA-N 2 1 331.504 3.106 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001167634196 1383694344 /nfs/dbraw/zinc/69/43/44/1383694344.db2.gz GKHIDZBRNHLCKH-LPHOPBHVSA-N 2 1 349.494 3.246 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC001167636586 1383695115 /nfs/dbraw/zinc/69/51/15/1383695115.db2.gz VSVTXPLCCJHCGO-LPHOPBHVSA-N 2 1 349.494 3.246 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001167641094 1383696629 /nfs/dbraw/zinc/69/66/29/1383696629.db2.gz TZYIRWRVDIZLEO-MRXNPFEDSA-N 2 1 349.494 3.105 20 0 EGADMP COc1cc2[nH+]ccc(-n3nc(C[NH3+])c4ccccc43)c2cc1OC ZINC001167698283 1383714348 /nfs/dbraw/zinc/71/43/48/1383714348.db2.gz XCFUXHPUVGZQJG-UHFFFAOYSA-N 2 1 334.379 3.050 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001167814657 1383746908 /nfs/dbraw/zinc/74/69/08/1383746908.db2.gz AUCUNJDOYGYRNO-UHFFFAOYSA-N 2 1 337.552 3.175 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@]2(C[C@H](CCOC)CO2)C1 ZINC001167823496 1383749770 /nfs/dbraw/zinc/74/97/70/1383749770.db2.gz LLUSVLSOFIUGMA-UFYCRDLUSA-N 2 1 340.552 3.405 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+][C@H](CC)c2ccccc2)CC1 ZINC001167836449 1383755134 /nfs/dbraw/zinc/75/51/34/1383755134.db2.gz WAHLKTIRBRJFMH-LJQANCHMSA-N 2 1 345.531 3.356 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC001167839884 1383756041 /nfs/dbraw/zinc/75/60/41/1383756041.db2.gz CJRSNCNBYRJFNI-HKUYNNGSSA-N 2 1 334.504 3.213 20 0 EGADMP CCOC(CSc1ccccc1NC(=[NH2+])SCC[NH3+])OCC ZINC001167913444 1383769381 /nfs/dbraw/zinc/76/93/81/1383769381.db2.gz YKDQVHPGEAPGEK-UHFFFAOYSA-N 2 1 343.518 3.216 20 0 EGADMP CN(Cc1ccco1)Cc1cncc2c1CC[N@H+]([C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167940301 1383773388 /nfs/dbraw/zinc/77/33/88/1383773388.db2.gz LIFUQSPGWGCMCS-MNZLEMJZSA-N 2 1 337.467 3.463 20 0 EGADMP CN(C)c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167964621 1383780516 /nfs/dbraw/zinc/78/05/16/1383780516.db2.gz VAKNPBUJENTENJ-VCSGRIEYSA-N 2 1 327.516 3.290 20 0 EGADMP COC(=O)c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167970546 1383782530 /nfs/dbraw/zinc/78/25/30/1383782530.db2.gz MRDIGJGRPQWBLX-IHWFROFDSA-N 2 1 342.483 3.011 20 0 EGADMP CCc1noc([C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)n1 ZINC001167994679 1383790299 /nfs/dbraw/zinc/79/02/99/1383790299.db2.gz KDCDSWSEWGTHPE-HRBLRVMOSA-N 2 1 344.503 3.217 20 0 EGADMP CCc1noc([C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)n1 ZINC001167994679 1383790303 /nfs/dbraw/zinc/79/03/03/1383790303.db2.gz KDCDSWSEWGTHPE-HRBLRVMOSA-N 2 1 344.503 3.217 20 0 EGADMP CCc1noc([C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)n1 ZINC001167994679 1383790305 /nfs/dbraw/zinc/79/03/05/1383790305.db2.gz KDCDSWSEWGTHPE-HRBLRVMOSA-N 2 1 344.503 3.217 20 0 EGADMP CCc1noc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)n1 ZINC001167994750 1383790451 /nfs/dbraw/zinc/79/04/51/1383790451.db2.gz NBZUSPIGLBQUPF-JWTNVVGKSA-N 2 1 344.503 3.217 20 0 EGADMP CCc1noc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)n1 ZINC001167994750 1383790457 /nfs/dbraw/zinc/79/04/57/1383790457.db2.gz NBZUSPIGLBQUPF-JWTNVVGKSA-N 2 1 344.503 3.217 20 0 EGADMP CCOC(=O)C1(CC)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168004357 1383794229 /nfs/dbraw/zinc/79/42/29/1383794229.db2.gz UTLQMVJIBWNDHE-DFNIBXOVSA-N 2 1 348.531 3.447 20 0 EGADMP CC(=O)NC1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168040414 1383803432 /nfs/dbraw/zinc/80/34/32/1383803432.db2.gz MPGBHXDXFJCDBS-UPHUGPLXSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H]1C[C@@H](N2CC([NH+]3CCCC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168051339 1383804188 /nfs/dbraw/zinc/80/41/88/1383804188.db2.gz HLUJTTUOFBHBBU-OPVJXMOQSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@@H]1CC([N@@H+](C)CCC2OCCO2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065877 1383808074 /nfs/dbraw/zinc/80/80/74/1383808074.db2.gz YSJWLVOCZDLHGW-IAGOWNOFSA-N 2 1 332.488 3.123 20 0 EGADMP CCOC(=O)C1CC[NH+](C2CC[NH+](C3CCC(C)CC3)CC2)CC1 ZINC001168211231 1383844009 /nfs/dbraw/zinc/84/40/09/1383844009.db2.gz AZZXXCDYJIABKA-UHFFFAOYSA-N 2 1 336.520 3.305 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](CC2(O)CCCCCC2)CC1 ZINC001168252542 1383854179 /nfs/dbraw/zinc/85/41/79/1383854179.db2.gz OPPHVRUZWWGPEG-UHFFFAOYSA-N 2 1 340.552 3.142 20 0 EGADMP CC(C)[C@](O)(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC001168265980 1383857238 /nfs/dbraw/zinc/85/72/38/1383857238.db2.gz ZEQDOVCRPHNVHE-BVYCBKJFSA-N 2 1 342.527 3.479 20 0 EGADMP CC(C)[C@](O)(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC001168265980 1383857240 /nfs/dbraw/zinc/85/72/40/1383857240.db2.gz ZEQDOVCRPHNVHE-BVYCBKJFSA-N 2 1 342.527 3.479 20 0 EGADMP CC(C)[C@](O)(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC001168265980 1383857246 /nfs/dbraw/zinc/85/72/46/1383857246.db2.gz ZEQDOVCRPHNVHE-BVYCBKJFSA-N 2 1 342.527 3.479 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168326555 1383873202 /nfs/dbraw/zinc/87/32/02/1383873202.db2.gz BAFWNCMVBGYOJA-XNIRIUNOSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@@]12CC3([NH3+])CC([NH2+]C4CC[NH+](CC5CC5)CC4)(C1)C[C@](C)(C3)C2 ZINC001168365707 1383884780 /nfs/dbraw/zinc/88/47/80/1383884780.db2.gz FKELBLMVYPUDLX-WHSGIHJSSA-N 3 1 331.548 3.281 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C1CC[NH+](CC2CC2)CC1 ZINC001168390320 1383893459 /nfs/dbraw/zinc/89/34/59/1383893459.db2.gz GUWLBATVCAVWKS-GOSISDBHSA-N 2 1 327.516 3.067 20 0 EGADMP CC1(C)C[C@@H](CNc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)O1 ZINC001168451970 1383909332 /nfs/dbraw/zinc/90/93/32/1383909332.db2.gz CPPAXSVUPROMPX-CVEARBPZSA-N 2 1 328.460 3.330 20 0 EGADMP COc1ccc([C@@H]2C[C@@H]([N@@H+](C)CCC[NH+]3CCCC3)CCO2)cc1 ZINC001168654849 1383959168 /nfs/dbraw/zinc/95/91/68/1383959168.db2.gz WJDRPTPRJCCFNR-ICSRJNTNSA-N 2 1 332.488 3.333 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168886140 1384046638 /nfs/dbraw/zinc/04/66/38/1384046638.db2.gz XOCMLLOINKHXFL-CVEARBPZSA-N 2 1 327.513 3.048 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001169093563 1384105806 /nfs/dbraw/zinc/10/58/06/1384105806.db2.gz IMSIUPWZWJIXLJ-XSDIEEQYSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](NC[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001169093563 1384105808 /nfs/dbraw/zinc/10/58/08/1384105808.db2.gz IMSIUPWZWJIXLJ-XSDIEEQYSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](NC[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001169093563 1384105810 /nfs/dbraw/zinc/10/58/10/1384105810.db2.gz IMSIUPWZWJIXLJ-XSDIEEQYSA-N 2 1 327.516 3.113 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001169093563 1384105812 /nfs/dbraw/zinc/10/58/12/1384105812.db2.gz IMSIUPWZWJIXLJ-XSDIEEQYSA-N 3 1 327.516 3.113 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001169093563 1384105814 /nfs/dbraw/zinc/10/58/14/1384105814.db2.gz IMSIUPWZWJIXLJ-XSDIEEQYSA-N 3 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001169093563 1384105815 /nfs/dbraw/zinc/10/58/15/1384105815.db2.gz IMSIUPWZWJIXLJ-XSDIEEQYSA-N 3 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001169093563 1384105817 /nfs/dbraw/zinc/10/58/17/1384105817.db2.gz IMSIUPWZWJIXLJ-XSDIEEQYSA-N 3 1 327.516 3.113 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3ncnc(-c4ccccc4)c3CC1)C2 ZINC001169137564 1384112088 /nfs/dbraw/zinc/11/20/88/1384112088.db2.gz DBBMTAMXSKATFN-REPLKXPHSA-N 2 1 348.494 3.169 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCc3ncnc(-c4ccccc4)c3CC1)C2 ZINC001169137564 1384112090 /nfs/dbraw/zinc/11/20/90/1384112090.db2.gz DBBMTAMXSKATFN-REPLKXPHSA-N 2 1 348.494 3.169 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCc3ncnc(-c4ccccc4)c3CC1)C2 ZINC001169137564 1384112092 /nfs/dbraw/zinc/11/20/92/1384112092.db2.gz DBBMTAMXSKATFN-REPLKXPHSA-N 2 1 348.494 3.169 20 0 EGADMP CN(C)c1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001308247682 1384112731 /nfs/dbraw/zinc/11/27/31/1384112731.db2.gz ZTVJQJXRMMFPDQ-FQEVSTJZSA-N 2 1 337.511 3.407 20 0 EGADMP CCOC(=O)Cc1cc[nH+]c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1C ZINC001169140632 1384113053 /nfs/dbraw/zinc/11/30/53/1384113053.db2.gz HADFRUUKZFLKIS-JXFKEZNVSA-N 2 1 347.503 3.451 20 0 EGADMP CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144590 1384114010 /nfs/dbraw/zinc/11/40/10/1384114010.db2.gz KDCFGPDVQGVACF-MHTWAQMVSA-N 2 1 327.516 3.208 20 0 EGADMP CCN([C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169144590 1384114011 /nfs/dbraw/zinc/11/40/11/1384114011.db2.gz KDCFGPDVQGVACF-MHTWAQMVSA-N 2 1 327.516 3.208 20 0 EGADMP CCN([C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169144590 1384114012 /nfs/dbraw/zinc/11/40/12/1384114012.db2.gz KDCFGPDVQGVACF-MHTWAQMVSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001308368291 1384122633 /nfs/dbraw/zinc/12/26/33/1384122633.db2.gz RDRRGXLDFIGSFT-NVXWUHKLSA-N 2 1 326.488 3.316 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC001169219436 1384124025 /nfs/dbraw/zinc/12/40/25/1384124025.db2.gz BCBPVYGWFQTBKH-DOTOQJQBSA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+]1CCC([N@@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)CC1 ZINC001169253734 1384127783 /nfs/dbraw/zinc/12/77/83/1384127783.db2.gz GZLKOEOKMTUBNU-CTNGQTDRSA-N 2 1 343.515 3.185 20 0 EGADMP CC[NH+]1CCC([N@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)CC1 ZINC001169253734 1384127785 /nfs/dbraw/zinc/12/77/85/1384127785.db2.gz GZLKOEOKMTUBNU-CTNGQTDRSA-N 2 1 343.515 3.185 20 0 EGADMP CC[NH+]1CCC([NH2+]C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001169275318 1384130645 /nfs/dbraw/zinc/13/06/45/1384130645.db2.gz QJHTXILNXGKKIE-UHFFFAOYSA-N 2 1 330.472 3.229 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+](C3CCC(OC(=O)c4ccccc4)CC3)C2)C1 ZINC001169306323 1384134343 /nfs/dbraw/zinc/13/43/43/1384134343.db2.gz XVRUTZKERPJKBN-GRERDSQWSA-N 2 1 342.483 3.182 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+](C3CCC(OC(=O)c4ccccc4)CC3)C2)C1 ZINC001169306323 1384134344 /nfs/dbraw/zinc/13/43/44/1384134344.db2.gz XVRUTZKERPJKBN-GRERDSQWSA-N 2 1 342.483 3.182 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](C3CCC(OC(=O)c4ccccc4)CC3)C2)C1 ZINC001169306323 1384134346 /nfs/dbraw/zinc/13/43/46/1384134346.db2.gz XVRUTZKERPJKBN-GRERDSQWSA-N 2 1 342.483 3.182 20 0 EGADMP C[C@H](Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1)c1cnccn1 ZINC001169529899 1384156758 /nfs/dbraw/zinc/15/67/58/1384156758.db2.gz SAESLUOSFZDAAB-GOEBONIOSA-N 2 1 336.443 3.314 20 0 EGADMP CCc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001169798644 1384187089 /nfs/dbraw/zinc/18/70/89/1384187089.db2.gz PIZLMXLHTJRREN-FXAWDEMLSA-N 2 1 345.531 3.108 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169811113 1384188202 /nfs/dbraw/zinc/18/82/02/1384188202.db2.gz TYPWEJJCEHBWQA-IRXDYDNUSA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001170001444 1384214388 /nfs/dbraw/zinc/21/43/88/1384214388.db2.gz IXQFEEFOTRMYJI-UHFFFAOYSA-N 2 1 325.541 3.449 20 0 EGADMP C[C@H]1CC[C@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)C1 ZINC001170145027 1384247817 /nfs/dbraw/zinc/24/78/17/1384247817.db2.gz RMCJOPTZVQROQW-ICSRJNTNSA-N 2 1 343.515 3.185 20 0 EGADMP CC[C@H]1C[C@@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CCO1 ZINC001170236336 1384273519 /nfs/dbraw/zinc/27/35/19/1384273519.db2.gz RPBRPPAQOACQEL-SFTDATJTSA-N 2 1 328.500 3.467 20 0 EGADMP CC[C@H]1C[C@@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CCO1 ZINC001170236336 1384273521 /nfs/dbraw/zinc/27/35/21/1384273521.db2.gz RPBRPPAQOACQEL-SFTDATJTSA-N 2 1 328.500 3.467 20 0 EGADMP CCCCCC[C@@H](CC)[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001170593483 1384346723 /nfs/dbraw/zinc/34/67/23/1384346723.db2.gz RUYZDHUUMLOCCN-GOSISDBHSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCCC[C@@H](CC)[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001170593483 1384346727 /nfs/dbraw/zinc/34/67/27/1384346727.db2.gz RUYZDHUUMLOCCN-GOSISDBHSA-N 2 1 337.552 3.412 20 0 EGADMP CC1(C)[C@@H]2C[C@H]([NH2+][C@H]3CC[C@H](N4CC[NH+](CC5CC5)CC4)CC3)C[C@@H]21 ZINC001170726376 1384374095 /nfs/dbraw/zinc/37/40/95/1384374095.db2.gz DORJGWNKJXZNCY-YXOJAJARSA-N 2 1 345.575 3.349 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001170878333 1384403369 /nfs/dbraw/zinc/40/33/69/1384403369.db2.gz NNRZGQNKLAAVTH-IAGOWNOFSA-N 2 1 348.535 3.461 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCCCF ZINC001171120524 1384449872 /nfs/dbraw/zinc/44/98/72/1384449872.db2.gz NRHPFZCZEMMCEW-ZWKOTPCHSA-N 2 1 343.531 3.265 20 0 EGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001171236512 1384476402 /nfs/dbraw/zinc/47/64/02/1384476402.db2.gz NGICEQQOODSRPA-MOPGFXCFSA-N 2 1 339.568 3.419 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001171235706 1384476604 /nfs/dbraw/zinc/47/66/04/1384476604.db2.gz IUGQWXJMHWMYOB-RBUKOAKNSA-N 2 1 337.552 3.195 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171328428 1384495583 /nfs/dbraw/zinc/49/55/83/1384495583.db2.gz JEZFHPFBCYVCRN-ZWKOTPCHSA-N 2 1 343.531 3.265 20 0 EGADMP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171538194 1384556195 /nfs/dbraw/zinc/55/61/95/1384556195.db2.gz KRAZJIOCDYHGGM-SJORKVTESA-N 2 1 325.541 3.172 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)CC1(C)C ZINC001171637909 1384587578 /nfs/dbraw/zinc/58/75/78/1384587578.db2.gz SAOZFINNSHUCCM-QGZVFWFLSA-N 2 1 335.536 3.115 20 0 EGADMP Cc1ccc(N2CC[NH+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)nc1 ZINC001171639982 1384589208 /nfs/dbraw/zinc/58/92/08/1384589208.db2.gz XOOWLSSXHHFJIT-UHFFFAOYSA-N 2 1 330.520 3.163 20 0 EGADMP Cc1cncnc1O[C@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641905 1384589903 /nfs/dbraw/zinc/58/99/03/1384589903.db2.gz VQGMBCGWNOQOHL-KRWDZBQOSA-N 2 1 346.519 3.280 20 0 EGADMP C[C@@H]1C[C@H](NC(=[NH2+])c2ccc(Cl)nc2)C[N@@H+]1Cc1ccccc1 ZINC001171724781 1384613688 /nfs/dbraw/zinc/61/36/88/1384613688.db2.gz ARVFHMQFOWOFMQ-CJNGLKHVSA-N 2 1 328.847 3.313 20 0 EGADMP C[C@@H]1C[C@H](NC(=[NH2+])c2ccc(Cl)nc2)C[N@H+]1Cc1ccccc1 ZINC001171724781 1384613691 /nfs/dbraw/zinc/61/36/91/1384613691.db2.gz ARVFHMQFOWOFMQ-CJNGLKHVSA-N 2 1 328.847 3.313 20 0 EGADMP C[C@@H]1C[C@@H](N(C(N)=[NH2+])c2ccccc2F)C[N@H+]1Cc1ccccc1 ZINC001171730414 1384617154 /nfs/dbraw/zinc/61/71/54/1384617154.db2.gz YQMQOYZTDNCEFS-GDBMZVCRSA-N 2 1 326.419 3.189 20 0 EGADMP CC[NH+](CC)C1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171765817 1384629493 /nfs/dbraw/zinc/62/94/93/1384629493.db2.gz ZOMBYNNPJNZVQW-WIYYLYMNSA-N 2 1 329.532 3.456 20 0 EGADMP C[C@@H]1C[C@H](N2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[N@H+]1Cc1ccccc1 ZINC001171769577 1384630773 /nfs/dbraw/zinc/63/07/73/1384630773.db2.gz UOEPNTSVOJUPLV-BVOGOJNSSA-N 2 1 345.506 3.158 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+]([C@@H]2Cc3cccc(F)c3C2)C2CCOCC2)CC1 ZINC001171786606 1384636292 /nfs/dbraw/zinc/63/62/92/1384636292.db2.gz CHHIFRPYZZFODA-JFIYKMOQSA-N 2 1 332.463 3.044 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC001171788200 1384637323 /nfs/dbraw/zinc/63/73/23/1384637323.db2.gz YXVNBNWNXHYCHU-QGZVFWFLSA-N 2 1 341.499 3.339 20 0 EGADMP CCC[NH+](CCC)CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171867076 1384665749 /nfs/dbraw/zinc/66/57/49/1384665749.db2.gz SRZMKGHZFNCOHM-HXUWFJFHSA-N 2 1 345.531 3.393 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171963539 1384697013 /nfs/dbraw/zinc/69/70/13/1384697013.db2.gz IBFZKKXPYXPMCO-FQEVSTJZSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171963539 1384697016 /nfs/dbraw/zinc/69/70/16/1384697016.db2.gz IBFZKKXPYXPMCO-FQEVSTJZSA-N 2 1 329.532 3.361 20 0 EGADMP CC1(C)C[C@H](N2CC[NH+]3CCC[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171985775 1384703849 /nfs/dbraw/zinc/70/38/49/1384703849.db2.gz ZQFJIVXGRANGPX-UXHICEINSA-N 2 1 327.516 3.210 20 0 EGADMP CC1(C)C[C@H](N2CC[N@@H+]3CCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171985775 1384703853 /nfs/dbraw/zinc/70/38/53/1384703853.db2.gz ZQFJIVXGRANGPX-UXHICEINSA-N 2 1 327.516 3.210 20 0 EGADMP CC1(C)C[C@H](N2CC[N@H+]3CCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171985775 1384703858 /nfs/dbraw/zinc/70/38/58/1384703858.db2.gz ZQFJIVXGRANGPX-UXHICEINSA-N 2 1 327.516 3.210 20 0 EGADMP CC1(C)C[C@@H]([NH2+]C[C@H](O)c2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC001171983802 1384704560 /nfs/dbraw/zinc/70/45/60/1384704560.db2.gz QCGRHQOGRIOEJL-ICSRJNTNSA-N 2 1 339.483 3.148 20 0 EGADMP CC1(C)C[C@@H]([NH2+]C[C@H](O)c2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC001171983802 1384704568 /nfs/dbraw/zinc/70/45/68/1384704568.db2.gz QCGRHQOGRIOEJL-ICSRJNTNSA-N 2 1 339.483 3.148 20 0 EGADMP COC(=O)[C@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1C ZINC001171989237 1384706571 /nfs/dbraw/zinc/70/65/71/1384706571.db2.gz BDSCLPWHDGWQIM-UHOSZYNNSA-N 2 1 344.499 3.171 20 0 EGADMP COC(=O)[C@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1C ZINC001171989237 1384706576 /nfs/dbraw/zinc/70/65/76/1384706576.db2.gz BDSCLPWHDGWQIM-UHOSZYNNSA-N 2 1 344.499 3.171 20 0 EGADMP COC(=O)[C@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1C ZINC001171989237 1384706581 /nfs/dbraw/zinc/70/65/81/1384706581.db2.gz BDSCLPWHDGWQIM-UHOSZYNNSA-N 2 1 344.499 3.171 20 0 EGADMP C[C@@H]1CN([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)[N@@H+]1C ZINC001171988120 1384706652 /nfs/dbraw/zinc/70/66/52/1384706652.db2.gz OTEMUSSCSQEGHO-NSHGMRRFSA-N 2 1 329.532 3.454 20 0 EGADMP C[C@@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)[NH+]1C ZINC001171988120 1384706654 /nfs/dbraw/zinc/70/66/54/1384706654.db2.gz OTEMUSSCSQEGHO-NSHGMRRFSA-N 2 1 329.532 3.454 20 0 EGADMP C[C@@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)[NH+]1C ZINC001171988120 1384706657 /nfs/dbraw/zinc/70/66/57/1384706657.db2.gz OTEMUSSCSQEGHO-NSHGMRRFSA-N 2 1 329.532 3.454 20 0 EGADMP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@H]1O ZINC001172067127 1384716279 /nfs/dbraw/zinc/71/62/79/1384716279.db2.gz AWZYAOOKVJXIMC-QNDFHXLGSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@H]1O ZINC001172067127 1384716284 /nfs/dbraw/zinc/71/62/84/1384716284.db2.gz AWZYAOOKVJXIMC-QNDFHXLGSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1O ZINC001172067127 1384716289 /nfs/dbraw/zinc/71/62/89/1384716289.db2.gz AWZYAOOKVJXIMC-QNDFHXLGSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1O ZINC001172067127 1384716293 /nfs/dbraw/zinc/71/62/93/1384716293.db2.gz AWZYAOOKVJXIMC-QNDFHXLGSA-N 2 1 328.500 3.275 20 0 EGADMP CCOC(=O)[C@@H](C)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065001 1384716770 /nfs/dbraw/zinc/71/67/70/1384716770.db2.gz GYZAWOYPEQZPKO-FFGOWVMKSA-N 2 1 344.499 3.361 20 0 EGADMP Cc1ncc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172066532 1384716922 /nfs/dbraw/zinc/71/69/22/1384716922.db2.gz ZFNCEAOJQNERBK-MZADTFQBSA-N 2 1 336.483 3.460 20 0 EGADMP Cc1ncc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172066532 1384716925 /nfs/dbraw/zinc/71/69/25/1384716925.db2.gz ZFNCEAOJQNERBK-MZADTFQBSA-N 2 1 336.483 3.460 20 0 EGADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2C[C@@H]4COC[C@@H]4C2)C3)cc1 ZINC001172069403 1384717797 /nfs/dbraw/zinc/71/77/97/1384717797.db2.gz PZUMUMRLEUMYHL-JCUFNKLESA-N 2 1 326.484 3.150 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2C[C@@H]4COC[C@@H]4C2)C3)cc1 ZINC001172069403 1384717801 /nfs/dbraw/zinc/71/78/01/1384717801.db2.gz PZUMUMRLEUMYHL-JCUFNKLESA-N 2 1 326.484 3.150 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2C[C@@H]4COC[C@@H]4C2)C3)cc1 ZINC001172069403 1384717805 /nfs/dbraw/zinc/71/78/05/1384717805.db2.gz PZUMUMRLEUMYHL-JCUFNKLESA-N 2 1 326.484 3.150 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2C[C@@H]4COC[C@@H]4C2)C3)cc1 ZINC001172069403 1384717808 /nfs/dbraw/zinc/71/78/08/1384717808.db2.gz PZUMUMRLEUMYHL-JCUFNKLESA-N 2 1 326.484 3.150 20 0 EGADMP CC(C)C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(N)=O ZINC001172072384 1384717818 /nfs/dbraw/zinc/71/78/18/1384717818.db2.gz LYPCJCJGHFOELI-HAGHYFMRSA-N 2 1 343.515 3.062 20 0 EGADMP CC(C)C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(N)=O ZINC001172072384 1384717823 /nfs/dbraw/zinc/71/78/23/1384717823.db2.gz LYPCJCJGHFOELI-HAGHYFMRSA-N 2 1 343.515 3.062 20 0 EGADMP OC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC001172070018 1384718193 /nfs/dbraw/zinc/71/81/93/1384718193.db2.gz ZXIZSZIPZIITIP-ACDBMABISA-N 2 1 328.500 3.467 20 0 EGADMP CC(=O)NCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172078331 1384721580 /nfs/dbraw/zinc/72/15/80/1384721580.db2.gz YMRMHXKVKYELRY-MZADTFQBSA-N 2 1 343.515 3.078 20 0 EGADMP COc1ccc2c(c1)c(CC[NH3+])cn2[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098183 1384726366 /nfs/dbraw/zinc/72/63/66/1384726366.db2.gz BJVBILOGSZJMBA-FVQHAEBGSA-N 2 1 327.472 3.339 20 0 EGADMP CC(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172109076 1384727879 /nfs/dbraw/zinc/72/78/79/1384727879.db2.gz BXTIBINRPJTSBH-YCEIQTCASA-N 2 1 335.536 3.065 20 0 EGADMP CC(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172109076 1384727880 /nfs/dbraw/zinc/72/78/80/1384727880.db2.gz BXTIBINRPJTSBH-YCEIQTCASA-N 2 1 335.536 3.065 20 0 EGADMP Cc1cccnc1C1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCOCC1 ZINC001172111325 1384729073 /nfs/dbraw/zinc/72/90/73/1384729073.db2.gz QDVBNFVKCYCMIW-REPLKXPHSA-N 2 1 343.515 3.043 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cn(Cc3ccccc3F)cn1)C2 ZINC001172110571 1384729268 /nfs/dbraw/zinc/72/92/68/1384729268.db2.gz KIRWWOUZIHDYFD-LUPIEILUSA-N 2 1 342.462 3.175 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cn(Cc3ccccc3F)cn1)C2 ZINC001172110571 1384729272 /nfs/dbraw/zinc/72/92/72/1384729272.db2.gz KIRWWOUZIHDYFD-LUPIEILUSA-N 2 1 342.462 3.175 20 0 EGADMP COCC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC(F)(F)CC1 ZINC001172109547 1384729862 /nfs/dbraw/zinc/72/98/62/1384729862.db2.gz DYSRDSBHKYRYRW-PHZGNYQRSA-N 2 1 330.463 3.433 20 0 EGADMP COc1cc2c(cc1OC)C[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172110634 1384730319 /nfs/dbraw/zinc/73/03/19/1384730319.db2.gz PGXJJEFFTFFRIW-MKXGPGLRSA-N 2 1 344.499 3.166 20 0 EGADMP COc1cc2c(cc1OC)C[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172110634 1384730322 /nfs/dbraw/zinc/73/03/22/1384730322.db2.gz PGXJJEFFTFFRIW-MKXGPGLRSA-N 2 1 344.499 3.166 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](Nc1ccc(Br)cc1C[NH3+])C2 ZINC001172112675 1384731172 /nfs/dbraw/zinc/73/11/72/1384731172.db2.gz ZBHDUQNJDIKEQY-QDMKHBRRSA-N 2 1 338.293 3.335 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1CC[NH+](C[C@@H]3CC=CCC3)CC1)C2 ZINC001172113571 1384731653 /nfs/dbraw/zinc/73/16/53/1384731653.db2.gz KMWUYYYXDKJPTP-WLRLJWMZSA-N 2 1 331.548 3.412 20 0 EGADMP COC(=O)CCC[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172116976 1384733362 /nfs/dbraw/zinc/73/33/62/1384733362.db2.gz FHBJJXNZMNUTSG-PMOLBWCYSA-N 2 1 344.499 3.457 20 0 EGADMP COC(=O)CCC[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172116976 1384733364 /nfs/dbraw/zinc/73/33/64/1384733364.db2.gz FHBJJXNZMNUTSG-PMOLBWCYSA-N 2 1 344.499 3.457 20 0 EGADMP COC(=O)CCC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172116976 1384733366 /nfs/dbraw/zinc/73/33/66/1384733366.db2.gz FHBJJXNZMNUTSG-PMOLBWCYSA-N 2 1 344.499 3.457 20 0 EGADMP COC(=O)CCC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172116976 1384733369 /nfs/dbraw/zinc/73/33/69/1384733369.db2.gz FHBJJXNZMNUTSG-PMOLBWCYSA-N 2 1 344.499 3.457 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(C(=O)OC(C)(C)C)C3(CC3)C1)C2 ZINC001172129039 1384738325 /nfs/dbraw/zinc/73/83/25/1384738325.db2.gz VPEZSNRDKADKLI-BJWYYQGGSA-N 2 1 349.519 3.087 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(C(=O)OC(C)(C)C)C3(CC3)C1)C2 ZINC001172129039 1384738327 /nfs/dbraw/zinc/73/83/27/1384738327.db2.gz VPEZSNRDKADKLI-BJWYYQGGSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCN(C(=O)OC(C)(C)C)C3(CC3)C1)C2 ZINC001172129039 1384738329 /nfs/dbraw/zinc/73/83/29/1384738329.db2.gz VPEZSNRDKADKLI-BJWYYQGGSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCN(C(=O)OC(C)(C)C)C3(CC3)C1)C2 ZINC001172129039 1384738331 /nfs/dbraw/zinc/73/83/31/1384738331.db2.gz VPEZSNRDKADKLI-BJWYYQGGSA-N 2 1 349.519 3.087 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001316983968 1384741589 /nfs/dbraw/zinc/74/15/89/1384741589.db2.gz ZADDRFVMUTWWRM-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP CCCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001316983968 1384741590 /nfs/dbraw/zinc/74/15/90/1384741590.db2.gz ZADDRFVMUTWWRM-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP CCCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001316983968 1384741592 /nfs/dbraw/zinc/74/15/92/1384741592.db2.gz ZADDRFVMUTWWRM-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1)[NH+](CC)CC ZINC001316987765 1384744094 /nfs/dbraw/zinc/74/40/94/1384744094.db2.gz VKJIYFXWMROQSC-VQTJNVASSA-N 2 1 345.531 3.114 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172234909 1384753476 /nfs/dbraw/zinc/75/34/76/1384753476.db2.gz PGNQGPRWSVSSSQ-LJRDSGNISA-N 2 1 330.447 3.384 20 0 EGADMP COCCC[NH+]1CCC([NH+]2CCC(Sc3ccncc3)CC2)CC1 ZINC001172253125 1384756889 /nfs/dbraw/zinc/75/68/89/1384756889.db2.gz CTJZIOJFZIOCOJ-UHFFFAOYSA-N 2 1 349.544 3.139 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H](OCc3ccccc3)C2)CC1 ZINC001172253158 1384756992 /nfs/dbraw/zinc/75/69/92/1384756992.db2.gz DYPNNUSTFVUTPP-OAQYLSRUSA-N 2 1 346.515 3.169 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H](OCc3ccccc3)C2)CC1 ZINC001172253158 1384756997 /nfs/dbraw/zinc/75/69/97/1384756997.db2.gz DYPNNUSTFVUTPP-OAQYLSRUSA-N 2 1 346.515 3.169 20 0 EGADMP COc1cccc(C[N@@H+]([C@@H]2COC(C)(C)C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001172282838 1384759058 /nfs/dbraw/zinc/75/90/58/1384759058.db2.gz UYWMTULDGUHHFM-BZSNNMDCSA-N 2 1 332.488 3.335 20 0 EGADMP CC[C@@H](C)OCC[C@H](C)n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001172330394 1384771282 /nfs/dbraw/zinc/77/12/82/1384771282.db2.gz LPCVMSUKUMKEJZ-JKSUJKDBSA-N 2 1 336.524 3.135 20 0 EGADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172336296 1384773383 /nfs/dbraw/zinc/77/33/83/1384773383.db2.gz MTUWFPWPWVQSSK-MMKMLUHNSA-N 2 1 348.531 3.053 20 0 EGADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172336296 1384773384 /nfs/dbraw/zinc/77/33/84/1384773384.db2.gz MTUWFPWPWVQSSK-MMKMLUHNSA-N 2 1 348.531 3.053 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172379909 1384782121 /nfs/dbraw/zinc/78/21/21/1384782121.db2.gz UHIZKGNUVRKQLQ-CXUGJCBMSA-N 2 1 334.548 3.491 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172379909 1384782125 /nfs/dbraw/zinc/78/21/25/1384782125.db2.gz UHIZKGNUVRKQLQ-CXUGJCBMSA-N 2 1 334.548 3.491 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172379909 1384782126 /nfs/dbraw/zinc/78/21/26/1384782126.db2.gz UHIZKGNUVRKQLQ-CXUGJCBMSA-N 2 1 334.548 3.491 20 0 EGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H](C)CCOCC(C)C)CC1 ZINC001172475185 1384801677 /nfs/dbraw/zinc/80/16/77/1384801677.db2.gz GEYIMJFLKFSGOH-HKUYNNGSSA-N 2 1 326.525 3.013 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H](C)CCOCC(C)C)CC1 ZINC001172475185 1384801681 /nfs/dbraw/zinc/80/16/81/1384801681.db2.gz GEYIMJFLKFSGOH-HKUYNNGSSA-N 2 1 326.525 3.013 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001172599363 1384816445 /nfs/dbraw/zinc/81/64/45/1384816445.db2.gz BRMANGMNAGFRDB-QUCCMNQESA-N 2 1 344.499 3.015 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([NH2+]C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172611237 1384819412 /nfs/dbraw/zinc/81/94/12/1384819412.db2.gz XURGREGHBWCWEG-MOPGFXCFSA-N 2 1 344.499 3.363 20 0 EGADMP COC(=O)[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001172779986 1384850546 /nfs/dbraw/zinc/85/05/46/1384850546.db2.gz QUEJFNCITYGZQE-FHWLQOOXSA-N 2 1 336.520 3.353 20 0 EGADMP COC(=O)[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001172779986 1384850549 /nfs/dbraw/zinc/85/05/49/1384850549.db2.gz QUEJFNCITYGZQE-FHWLQOOXSA-N 2 1 336.520 3.353 20 0 EGADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC001172941127 1384884889 /nfs/dbraw/zinc/88/48/89/1384884889.db2.gz DDVSDNZXTRVYJC-NHCUHLMSSA-N 2 1 328.500 3.467 20 0 EGADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC001172941127 1384884892 /nfs/dbraw/zinc/88/48/92/1384884892.db2.gz DDVSDNZXTRVYJC-NHCUHLMSSA-N 2 1 328.500 3.467 20 0 EGADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001172974493 1384893860 /nfs/dbraw/zinc/89/38/60/1384893860.db2.gz KJDUFANCLSOLOD-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP CCCOC1CCC([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001173092866 1384912246 /nfs/dbraw/zinc/91/22/46/1384912246.db2.gz GOTWUUYIPONDHZ-HNZUOSPBSA-N 2 1 328.500 3.444 20 0 EGADMP CCCOC1CCC([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001173092866 1384912248 /nfs/dbraw/zinc/91/22/48/1384912248.db2.gz GOTWUUYIPONDHZ-HNZUOSPBSA-N 2 1 328.500 3.444 20 0 EGADMP CC[NH+](CC)C1CCC([N@@H+]2Cc3ccccc3[C@H](C(=O)OC)C2)CC1 ZINC001173114049 1384917542 /nfs/dbraw/zinc/91/75/42/1384917542.db2.gz UNPFVPLTDJHXOL-AFMYVXGZSA-N 2 1 344.499 3.412 20 0 EGADMP CCCC[C@H](CC(C)C)[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001173255743 1384945075 /nfs/dbraw/zinc/94/50/75/1384945075.db2.gz MMQYATIIFMCDTB-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H]1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OCc2ccccc2)C1 ZINC001173264218 1384947126 /nfs/dbraw/zinc/94/71/26/1384947126.db2.gz RLPNDEAQYFJSDC-UHOSZYNNSA-N 2 1 332.488 3.396 20 0 EGADMP CCSC[C@H](C)[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001173293639 1384952842 /nfs/dbraw/zinc/95/28/42/1384952842.db2.gz GGFQFJDAVJEHOK-WDSOQIARSA-N 2 1 339.593 3.056 20 0 EGADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001173606510 1384987318 /nfs/dbraw/zinc/98/73/18/1384987318.db2.gz LJIHCCKAYNGRHC-BPYPNEQRSA-N 2 1 336.520 3.479 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001173708427 1385006229 /nfs/dbraw/zinc/00/62/29/1385006229.db2.gz HYINVPHRPQIAFY-KSZLIROESA-N 2 1 346.515 3.362 20 0 EGADMP Cc1ccc(C[NH2+][C@H](C)CNC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC001317260043 1385030041 /nfs/dbraw/zinc/03/00/41/1385030041.db2.gz ZQWABRTWVWJNTI-GOSISDBHSA-N 2 1 345.531 3.244 20 0 EGADMP Cc1cc(N2CC[NH+](C)CC2)ccc1Nc1cc[nH+]c2ccccc12 ZINC001174038589 1385049081 /nfs/dbraw/zinc/04/90/81/1385049081.db2.gz PJKZBBBERXILKC-UHFFFAOYSA-N 2 1 332.451 3.461 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174906700 1385168654 /nfs/dbraw/zinc/16/86/54/1385168654.db2.gz WUCKBIDURUDBCP-QYZOEREBSA-N 2 1 339.568 3.418 20 0 EGADMP CCCC[N@@H+](CCCN1CCOC1=O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174985279 1385178653 /nfs/dbraw/zinc/17/86/53/1385178653.db2.gz YWXXDTXMFQMZFE-UHFFFAOYSA-N 2 1 339.524 3.240 20 0 EGADMP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175257179 1385230940 /nfs/dbraw/zinc/23/09/40/1385230940.db2.gz WCUAOUSCFQENIN-MSOLQXFVSA-N 2 1 335.536 3.236 20 0 EGADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175264674 1385234158 /nfs/dbraw/zinc/23/41/58/1385234158.db2.gz UJQJRNAWJUEENY-VQIMIIECSA-N 2 1 343.531 3.120 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175272256 1385237246 /nfs/dbraw/zinc/23/72/46/1385237246.db2.gz ITJNHFWKEOEVPO-KRWDZBQOSA-N 2 1 325.541 3.029 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175274013 1385238265 /nfs/dbraw/zinc/23/82/65/1385238265.db2.gz ZZIXKJPRZSJSDI-QGZVFWFLSA-N 2 1 339.568 3.419 20 0 EGADMP C[NH+]1CCC(CC(=O)NC[C@H]2CC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001317530384 1385254903 /nfs/dbraw/zinc/25/49/03/1385254903.db2.gz WXHFQPJAPWSMGD-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001317623111 1385357959 /nfs/dbraw/zinc/35/79/59/1385357959.db2.gz KVBAEUKQBBWBMD-FUHWJXTLSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H]1CCC[C@@H](C)C1 ZINC001317747416 1385435755 /nfs/dbraw/zinc/43/57/55/1385435755.db2.gz TWBWPVWGUVRTBI-WCIQWLHISA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H]1CCC[C@@H](C)C1 ZINC001317747416 1385435757 /nfs/dbraw/zinc/43/57/57/1385435757.db2.gz TWBWPVWGUVRTBI-WCIQWLHISA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H]1CCC[C@@H](C)C1 ZINC001317747416 1385435759 /nfs/dbraw/zinc/43/57/59/1385435759.db2.gz TWBWPVWGUVRTBI-WCIQWLHISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176164352 1385499838 /nfs/dbraw/zinc/49/98/38/1385499838.db2.gz BCSAWRKJBYLSAU-MJGOQNOKSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176164353 1385499934 /nfs/dbraw/zinc/49/99/34/1385499934.db2.gz BCSAWRKJBYLSAU-PKOBYXMFSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001176284189 1385538323 /nfs/dbraw/zinc/53/83/23/1385538323.db2.gz CWYAYOPTGLMFPC-KRWDZBQOSA-N 2 1 327.557 3.419 20 0 EGADMP CCCCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001317876046 1385555079 /nfs/dbraw/zinc/55/50/79/1385555079.db2.gz RYOWYMBZTSZEIT-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001317876046 1385555081 /nfs/dbraw/zinc/55/50/81/1385555081.db2.gz RYOWYMBZTSZEIT-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@H](C)C[N@@H+](C)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001317879381 1385557922 /nfs/dbraw/zinc/55/79/22/1385557922.db2.gz BTEHUQZODLOHCA-KRWDZBQOSA-N 2 1 339.568 3.181 20 0 EGADMP CC[C@H](C)C[NH+](C)CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001317879381 1385557924 /nfs/dbraw/zinc/55/79/24/1385557924.db2.gz BTEHUQZODLOHCA-KRWDZBQOSA-N 2 1 339.568 3.181 20 0 EGADMP CC[C@H](C)C[NH+](C)CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001317879381 1385557927 /nfs/dbraw/zinc/55/79/27/1385557927.db2.gz BTEHUQZODLOHCA-KRWDZBQOSA-N 2 1 339.568 3.181 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001176598752 1385637132 /nfs/dbraw/zinc/63/71/32/1385637132.db2.gz CLBPQJWPEIYAES-INIZCTEOSA-N 2 1 334.508 3.036 20 0 EGADMP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC001318287381 1385642746 /nfs/dbraw/zinc/64/27/46/1385642746.db2.gz XDILCWSGYAHWHI-QZTJIDSGSA-N 2 1 347.503 3.106 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC001318287381 1385642749 /nfs/dbraw/zinc/64/27/49/1385642749.db2.gz XDILCWSGYAHWHI-QZTJIDSGSA-N 2 1 347.503 3.106 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001176754673 1385685185 /nfs/dbraw/zinc/68/51/85/1385685185.db2.gz XTPNJVPPZCWITO-SFHVURJKSA-N 2 1 333.520 3.100 20 0 EGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176760072 1385686925 /nfs/dbraw/zinc/68/69/25/1385686925.db2.gz POCIEZYUZWYIAV-QZTJIDSGSA-N 2 1 325.541 3.316 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176820818 1385714102 /nfs/dbraw/zinc/71/41/02/1385714102.db2.gz WWDSFPCCAKSESB-LJQANCHMSA-N 2 1 345.531 3.349 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176820818 1385714105 /nfs/dbraw/zinc/71/41/05/1385714105.db2.gz WWDSFPCCAKSESB-LJQANCHMSA-N 2 1 345.531 3.349 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001176857652 1385725122 /nfs/dbraw/zinc/72/51/22/1385725122.db2.gz YACKYEKEKOBUIW-CALCHBBNSA-N 2 1 343.515 3.033 20 0 EGADMP CC1CCC(C[NH2+]CCCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001177016984 1385773708 /nfs/dbraw/zinc/77/37/08/1385773708.db2.gz VKXRZPBQBXOLRQ-AFMYVXGZSA-N 2 1 345.531 3.212 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(CCC[NH2+]CC2CCC2)CC2CCCC2)CC[N@H+]1C ZINC001177328545 1385915868 /nfs/dbraw/zinc/91/58/68/1385915868.db2.gz NTQIQJAOMJXSAG-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001177348890 1385923900 /nfs/dbraw/zinc/92/39/00/1385923900.db2.gz QCFVTVYMGOOSEN-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001177477769 1385971383 /nfs/dbraw/zinc/97/13/83/1385971383.db2.gz LXWKBWJZWIJDMR-IBGZPJMESA-N 2 1 337.552 3.127 20 0 EGADMP CC(C)c1ccccc1C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001319209185 1386006732 /nfs/dbraw/zinc/00/67/32/1386006732.db2.gz NJHHIOXIPNRNEY-FXAWDEMLSA-N 2 1 345.531 3.136 20 0 EGADMP C[NH+]1C(C)(C)CC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)CC1(C)C ZINC001177627018 1386010730 /nfs/dbraw/zinc/01/07/30/1386010730.db2.gz UMATWUBZUVCNLB-KRWDZBQOSA-N 2 1 347.503 3.012 20 0 EGADMP C[NH+]1C(C)(C)CC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)CC1(C)C ZINC001177627018 1386010733 /nfs/dbraw/zinc/01/07/33/1386010733.db2.gz UMATWUBZUVCNLB-KRWDZBQOSA-N 2 1 347.503 3.012 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCCC2)c1 ZINC001319389867 1386099168 /nfs/dbraw/zinc/09/91/68/1386099168.db2.gz SHMLBXVEXCKXOC-IEBWSBKVSA-N 2 1 343.515 3.026 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccccc2)C1 ZINC001178248594 1386171229 /nfs/dbraw/zinc/17/12/29/1386171229.db2.gz DGKIFEWUBHQDIF-QZTJIDSGSA-N 2 1 331.504 3.361 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178483644 1386231148 /nfs/dbraw/zinc/23/11/48/1386231148.db2.gz HCXBKGAMQZNCBP-VQTJNVASSA-N 2 1 349.563 3.317 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001178729366 1386291690 /nfs/dbraw/zinc/29/16/90/1386291690.db2.gz VMXYFUJWGZQZMS-HXUWFJFHSA-N 2 1 345.531 3.327 20 0 EGADMP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001178736315 1386292294 /nfs/dbraw/zinc/29/22/94/1386292294.db2.gz UQCIYVOBGDQDAE-SZXSIIMHSA-N 2 1 346.519 3.332 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178810576 1386314454 /nfs/dbraw/zinc/31/44/54/1386314454.db2.gz HBJQTYGFBNZERR-WOJBJXKFSA-N 2 1 349.563 3.460 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001178833379 1386322656 /nfs/dbraw/zinc/32/26/56/1386322656.db2.gz TXOKZCGQHQTXII-LJQANCHMSA-N 2 1 337.552 3.317 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C/C=C/Cl ZINC001178921071 1386350309 /nfs/dbraw/zinc/35/03/09/1386350309.db2.gz VHCLDQUHXFFXPW-VMSUTVGLSA-N 2 1 343.943 3.126 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178925853 1386350999 /nfs/dbraw/zinc/35/09/99/1386350999.db2.gz KYEAHLTYVHLEAA-TYTUHHLSSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[NH2+]CCCCCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001179134262 1386407409 /nfs/dbraw/zinc/40/74/09/1386407409.db2.gz JSFCZXSSAYWAQC-UHFFFAOYSA-N 2 1 325.541 3.316 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2-n2nnc3ccccc32)C1 ZINC001179160026 1386413821 /nfs/dbraw/zinc/41/38/21/1386413821.db2.gz SLECQMSFEXBNLO-KRWDZBQOSA-N 2 1 349.482 3.242 20 0 EGADMP CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001179358114 1386462660 /nfs/dbraw/zinc/46/26/60/1386462660.db2.gz VYKQLUVISDLXCH-SFHVURJKSA-N 2 1 325.541 3.175 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCCCCCC[NH2+]CC2CCCC2)CC[N@H+]1C ZINC001179375348 1386467005 /nfs/dbraw/zinc/46/70/05/1386467005.db2.gz OHOPWIUPYJJNMW-HKUYNNGSSA-N 2 1 337.552 3.173 20 0 EGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179382902 1386468074 /nfs/dbraw/zinc/46/80/74/1386468074.db2.gz FBISKFNKSCVOCY-DSQZMVHQSA-N 2 1 337.552 3.339 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001179388775 1386472322 /nfs/dbraw/zinc/47/23/22/1386472322.db2.gz QVFKZZLIAARWBU-COLAKMGYSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001179550558 1386511731 /nfs/dbraw/zinc/51/17/31/1386511731.db2.gz ZUUUEQMXMDWHLG-VCVRMXLYSA-N 2 1 337.552 3.290 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001179549536 1386512164 /nfs/dbraw/zinc/51/21/64/1386512164.db2.gz DCWGCMKWDOCKMG-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179650994 1386540455 /nfs/dbraw/zinc/54/04/55/1386540455.db2.gz BEZCXQBAUOIGAC-WMZOPIPTSA-N 2 1 348.535 3.412 20 0 EGADMP CC[C@H](F)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001179746214 1386569830 /nfs/dbraw/zinc/56/98/30/1386569830.db2.gz QZCUWVFMYAZYRQ-ZWKOTPCHSA-N 2 1 343.531 3.264 20 0 EGADMP O=C(NCCCCCC[NH2+]CCC1CC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179788144 1386585703 /nfs/dbraw/zinc/58/57/03/1386585703.db2.gz OERLNLRHYRRRQN-RBUKOAKNSA-N 2 1 335.536 3.070 20 0 EGADMP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC001320884317 1386747943 /nfs/dbraw/zinc/74/79/43/1386747943.db2.gz WQRRUCWIPQTUHR-GOSISDBHSA-N 2 1 345.487 3.024 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC001320884317 1386747946 /nfs/dbraw/zinc/74/79/46/1386747946.db2.gz WQRRUCWIPQTUHR-GOSISDBHSA-N 2 1 345.487 3.024 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180259777 1386748258 /nfs/dbraw/zinc/74/82/58/1386748258.db2.gz MGBYWBFNQBHEPY-RTBURBONSA-N 2 1 345.531 3.274 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001180264823 1386750004 /nfs/dbraw/zinc/75/00/04/1386750004.db2.gz LJVWOZNCFBMCSG-UYAOXDASSA-N 2 1 345.531 3.274 20 0 EGADMP CCC/C=C\CC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C ZINC001180274840 1386752116 /nfs/dbraw/zinc/75/21/16/1386752116.db2.gz YEKYYHYMFKLURW-WAYWQWQTSA-N 2 1 334.508 3.204 20 0 EGADMP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001180299197 1386759079 /nfs/dbraw/zinc/75/90/79/1386759079.db2.gz MCHQPGGEZBWTPV-HOHWPDKRSA-N 2 1 343.515 3.054 20 0 EGADMP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001180299197 1386759084 /nfs/dbraw/zinc/75/90/84/1386759084.db2.gz MCHQPGGEZBWTPV-HOHWPDKRSA-N 2 1 343.515 3.054 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001180372562 1386777857 /nfs/dbraw/zinc/77/78/57/1386777857.db2.gz BSSHIFVLJUXIII-IBGZPJMESA-N 2 1 337.552 3.317 20 0 EGADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]3CCCF)c2)CC1 ZINC001321267081 1386861518 /nfs/dbraw/zinc/86/15/18/1386861518.db2.gz HSLFKZHZDMUHAO-SFTDATJTSA-N 2 1 347.522 3.442 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001181525637 1387010011 /nfs/dbraw/zinc/01/00/11/1387010011.db2.gz PEWSFSGUBZHKPP-LCFCGBBDSA-N 2 1 349.563 3.147 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1cccc(F)c1 ZINC001322004731 1387029736 /nfs/dbraw/zinc/02/97/36/1387029736.db2.gz XRNUGZXFTVOSNF-LSDHHAIUSA-N 2 1 346.450 3.001 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001181671009 1387035563 /nfs/dbraw/zinc/03/55/63/1387035563.db2.gz HFSXERXOGJIEQH-YFVAEKQCSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)[C@H](CNC(=O)C[NH2+]C(C)(C)C)c1ccc(Cl)cc1 ZINC001322067979 1387044301 /nfs/dbraw/zinc/04/43/01/1387044301.db2.gz CMKURHRUNNFKIQ-MRXNPFEDSA-N 2 1 339.911 3.227 20 0 EGADMP C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@]1(C)C[NH2+]CC1CC1 ZINC001181958658 1387082673 /nfs/dbraw/zinc/08/26/73/1387082673.db2.gz DODHRHNFMHASHI-IIBYNOLFSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H](C[N@@H+](C)C/C=C/c1ccccc1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001322245114 1387118093 /nfs/dbraw/zinc/11/80/93/1387118093.db2.gz TXONASAQLWWWOC-HGZMWJMZSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@@H](C[NH+](C)C/C=C/c1ccccc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001322245114 1387118097 /nfs/dbraw/zinc/11/80/97/1387118097.db2.gz TXONASAQLWWWOC-HGZMWJMZSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@@H](C[NH+](C)C/C=C/c1ccccc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001322245114 1387118100 /nfs/dbraw/zinc/11/81/00/1387118100.db2.gz TXONASAQLWWWOC-HGZMWJMZSA-N 2 1 345.531 3.114 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001322267942 1387128852 /nfs/dbraw/zinc/12/88/52/1387128852.db2.gz AGYCUPHZQZPEEL-UYAOXDASSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H](C[N@@H+](C)[C@H](C)c1cccc(F)c1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001322268686 1387129774 /nfs/dbraw/zinc/12/97/74/1387129774.db2.gz GFJHPJPTIUSLDI-IAGOWNOFSA-N 2 1 349.494 3.055 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@H](C)c1cccc(Cl)c1 ZINC001322274950 1387134703 /nfs/dbraw/zinc/13/47/03/1387134703.db2.gz RZDYBNPZKMBCRT-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001322274950 1387134704 /nfs/dbraw/zinc/13/47/04/1387134704.db2.gz RZDYBNPZKMBCRT-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001322274950 1387134705 /nfs/dbraw/zinc/13/47/05/1387134705.db2.gz RZDYBNPZKMBCRT-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182589525 1387192424 /nfs/dbraw/zinc/19/24/24/1387192424.db2.gz HEQHMOJTPDIIBJ-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001182692058 1387207574 /nfs/dbraw/zinc/20/75/74/1387207574.db2.gz AJYBDAPOTCHZCO-SJLPKXTDSA-N 2 1 346.519 3.167 20 0 EGADMP [NH3+][C@@H](c1noc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1)c1ccccc1 ZINC001329412138 1389101348 /nfs/dbraw/zinc/10/13/48/1389101348.db2.gz UKDXXKMBJVORRP-RBUKOAKNSA-N 2 1 348.450 3.497 20 0 EGADMP [NH3+][C@@H](c1noc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1)c1ccccc1 ZINC001329412138 1389101349 /nfs/dbraw/zinc/10/13/49/1389101349.db2.gz UKDXXKMBJVORRP-RBUKOAKNSA-N 2 1 348.450 3.497 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001329549521 1389152209 /nfs/dbraw/zinc/15/22/09/1389152209.db2.gz JZMRJTIHAMZUFK-ROUUACIJSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001329549521 1389152212 /nfs/dbraw/zinc/15/22/12/1389152212.db2.gz JZMRJTIHAMZUFK-ROUUACIJSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001329549521 1389152214 /nfs/dbraw/zinc/15/22/14/1389152214.db2.gz JZMRJTIHAMZUFK-ROUUACIJSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001329570169 1389160392 /nfs/dbraw/zinc/16/03/92/1389160392.db2.gz CJEGAPPLKSPINQ-ZWKOTPCHSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1ccc2ccccc2c1 ZINC001329601714 1389177964 /nfs/dbraw/zinc/17/79/64/1389177964.db2.gz VVWKTIFLTXYUHZ-QGZVFWFLSA-N 2 1 341.499 3.118 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccc2ccccc2c1 ZINC001329601714 1389177965 /nfs/dbraw/zinc/17/79/65/1389177965.db2.gz VVWKTIFLTXYUHZ-QGZVFWFLSA-N 2 1 341.499 3.118 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC001329601714 1389177969 /nfs/dbraw/zinc/17/79/69/1389177969.db2.gz VVWKTIFLTXYUHZ-QGZVFWFLSA-N 2 1 341.499 3.118 20 0 EGADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H]2CCCC[C@H]12 ZINC001330545465 1389451221 /nfs/dbraw/zinc/45/12/21/1389451221.db2.gz VXCXUQXLCZTMLZ-XHHHBCLVSA-N 2 1 349.563 3.170 20 0 EGADMP CC(C)c1[nH+]ccn1CC[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001338420116 1389680707 /nfs/dbraw/zinc/68/07/07/1389680707.db2.gz UKFAOWYGPNPSFO-OAHLLOKOSA-N 2 1 341.377 3.349 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2cccc(F)c2)c1 ZINC001338460611 1389688145 /nfs/dbraw/zinc/68/81/45/1389688145.db2.gz IRPWUGDAFDELIR-HXUWFJFHSA-N 2 1 330.447 3.489 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC001338464015 1389689106 /nfs/dbraw/zinc/68/91/06/1389689106.db2.gz YNBOMKQAHAOQTR-KMFTYDHNSA-N 2 1 330.516 3.395 20 0 EGADMP C[NH2+]C1(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CCC1 ZINC001340044003 1390214672 /nfs/dbraw/zinc/21/46/72/1390214672.db2.gz DVFUCJFZRCYKLY-UHFFFAOYSA-N 2 1 326.444 3.135 20 0 EGADMP CC(C)C[C@H]([NH3+])CC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001340874288 1390391102 /nfs/dbraw/zinc/39/11/02/1390391102.db2.gz YXBQHVXOZFUVGN-ZDWTUXFCSA-N 2 1 345.531 3.023 20 0 EGADMP CSCC[C@H]([NH3+])CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001341643137 1390513584 /nfs/dbraw/zinc/51/35/84/1390513584.db2.gz AQECSXOCQHSDPH-WBVHZDCISA-N 2 1 349.544 3.328 20 0 EGADMP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cn3c(cccc3C)n2)n1 ZINC001335058808 1390636456 /nfs/dbraw/zinc/63/64/56/1390636456.db2.gz COVWALYZUHHRLY-GOSISDBHSA-N 2 1 335.455 3.423 20 0 EGADMP Cc1cccc(NC[C@H]2CCCN2Cc2cn3c(cccc3C)n2)n1 ZINC001335058808 1390636459 /nfs/dbraw/zinc/63/64/59/1390636459.db2.gz COVWALYZUHHRLY-GOSISDBHSA-N 2 1 335.455 3.423 20 0 EGADMP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@H](O)c2c(F)cccc2F)n1 ZINC001335063510 1390637166 /nfs/dbraw/zinc/63/71/66/1390637166.db2.gz ZVQZRDFNQDLYCD-PBHICJAKSA-N 2 1 347.409 3.278 20 0 EGADMP Cc1cccc(NC[C@H]2CCCN2C[C@H](O)c2c(F)cccc2F)n1 ZINC001335063510 1390637169 /nfs/dbraw/zinc/63/71/69/1390637169.db2.gz ZVQZRDFNQDLYCD-PBHICJAKSA-N 2 1 347.409 3.278 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001346138206 1390910416 /nfs/dbraw/zinc/91/04/16/1390910416.db2.gz GWEFFVCPWAFOTL-YJBOKZPZSA-N 2 1 334.533 3.003 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2N2CCCC2)CC[C@H]1C(F)(F)F ZINC001348446641 1391220951 /nfs/dbraw/zinc/22/09/51/1391220951.db2.gz IXDPUISDIDLINF-HZPDHXFCSA-N 2 1 341.421 3.246 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2N2CCCC2)CC[C@H]1C(F)(F)F ZINC001348446641 1391220954 /nfs/dbraw/zinc/22/09/54/1391220954.db2.gz IXDPUISDIDLINF-HZPDHXFCSA-N 2 1 341.421 3.246 20 0 EGADMP [NH3+][C@H](c1noc(-c2cccc(C[NH+]3CCCC3)c2)n1)c1ccccc1 ZINC001349303108 1391319231 /nfs/dbraw/zinc/31/92/31/1391319231.db2.gz SFFBXNCKWGDUGA-SFHVURJKSA-N 2 1 334.423 3.381 20 0 EGADMP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001353875449 1392104415 /nfs/dbraw/zinc/10/44/15/1392104415.db2.gz NOLBADORPNLBTL-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC/C=C/c2ccccc2)C1 ZINC001479913926 1392481634 /nfs/dbraw/zinc/48/16/34/1392481634.db2.gz YQVFMOCEPWXSCY-BESKYLIDSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC/C=C/c2ccccc2)C1 ZINC001479913926 1392481636 /nfs/dbraw/zinc/48/16/36/1392481636.db2.gz YQVFMOCEPWXSCY-BESKYLIDSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC001479913926 1392481638 /nfs/dbraw/zinc/48/16/38/1392481638.db2.gz YQVFMOCEPWXSCY-BESKYLIDSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001480084015 1392573715 /nfs/dbraw/zinc/57/37/15/1392573715.db2.gz FIMFVGSCFVOFNB-LJQANCHMSA-N 2 1 345.531 3.188 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCC[N@H+]2CC2CCC2)CCCCC1 ZINC001480323482 1392683503 /nfs/dbraw/zinc/68/35/03/1392683503.db2.gz LRUMOVQTFJUJFY-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H]([NH2+][C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1 ZINC001480538245 1392784331 /nfs/dbraw/zinc/78/43/31/1392784331.db2.gz WCZMEDZVHMHDLJ-SJLPKXTDSA-N 2 1 333.520 3.210 20 0 EGADMP C[N@@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480743003 1392909534 /nfs/dbraw/zinc/90/95/34/1392909534.db2.gz UTJTUCSKCDPDBQ-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP C[C@@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccccc1C1CC1 ZINC001480772226 1392923790 /nfs/dbraw/zinc/92/37/90/1392923790.db2.gz CEVZLNPRCUGBBC-OXJNMPFZSA-N 2 1 343.515 3.033 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001480973957 1393059100 /nfs/dbraw/zinc/05/91/00/1393059100.db2.gz BYGVDRBVUXVFBJ-KRWDZBQOSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCCC(C)(C)C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001480973957 1393059101 /nfs/dbraw/zinc/05/91/01/1393059101.db2.gz BYGVDRBVUXVFBJ-KRWDZBQOSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCCC(C)(C)C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001480973957 1393059106 /nfs/dbraw/zinc/05/91/06/1393059106.db2.gz BYGVDRBVUXVFBJ-KRWDZBQOSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@@H](C)c1cccc(C)c1 ZINC001480979350 1393063461 /nfs/dbraw/zinc/06/34/61/1393063461.db2.gz GWOJRRFLWUQCCN-ICSRJNTNSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)[C@@H](C)c1cccc(C)c1 ZINC001480979350 1393063467 /nfs/dbraw/zinc/06/34/67/1393063467.db2.gz GWOJRRFLWUQCCN-ICSRJNTNSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)[C@@H](C)c1cccc(C)c1 ZINC001480979350 1393063471 /nfs/dbraw/zinc/06/34/71/1393063471.db2.gz GWOJRRFLWUQCCN-ICSRJNTNSA-N 2 1 345.531 3.369 20 0 EGADMP CC[N@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)Cc1ccccc1F ZINC001481004697 1393082767 /nfs/dbraw/zinc/08/27/67/1393082767.db2.gz GSNDTQXCIUFYRA-KRWDZBQOSA-N 2 1 349.494 3.028 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)Cc1ccccc1F ZINC001481004697 1393082771 /nfs/dbraw/zinc/08/27/71/1393082771.db2.gz GSNDTQXCIUFYRA-KRWDZBQOSA-N 2 1 349.494 3.028 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001481216296 1393150245 /nfs/dbraw/zinc/15/02/45/1393150245.db2.gz XKKCGVFIYUQVSB-APWZRJJASA-N 2 1 331.504 3.013 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001490420946 1394221899 /nfs/dbraw/zinc/22/18/99/1394221899.db2.gz FDMLPWNHWZMLGJ-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CCCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001481402311 1394252314 /nfs/dbraw/zinc/25/23/14/1394252314.db2.gz ZTHPLRPAMDXXCX-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCN(C(=O)C[N@H+](C)C1CCC1)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001481402311 1394252317 /nfs/dbraw/zinc/25/23/17/1394252317.db2.gz ZTHPLRPAMDXXCX-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)C1CCC1)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001481402311 1394252321 /nfs/dbraw/zinc/25/23/21/1394252321.db2.gz ZTHPLRPAMDXXCX-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C1CC[NH+](CC2CC2)CC1 ZINC001490618266 1394285287 /nfs/dbraw/zinc/28/52/87/1394285287.db2.gz IRJCDVKUCOQUFI-UHFFFAOYSA-N 2 1 346.519 3.120 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[C@H](C[N@@H+](C)CC3CCCCC3)C2)CC1 ZINC001490768335 1394330825 /nfs/dbraw/zinc/33/08/25/1394330825.db2.gz LTKJQNKUJXVOSZ-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCc1cccc(C[NH+]2CCCC[C@H]2CNC(=O)CC[N@H+](C)CC)c1 ZINC001491228530 1394483325 /nfs/dbraw/zinc/48/33/25/1394483325.db2.gz BEWRBKWPBJMXFZ-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCc1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH+](C)CC)c1 ZINC001491228530 1394483329 /nfs/dbraw/zinc/48/33/29/1394483329.db2.gz BEWRBKWPBJMXFZ-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCc1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH+](C)CC)c1 ZINC001491228530 1394483331 /nfs/dbraw/zinc/48/33/31/1394483331.db2.gz BEWRBKWPBJMXFZ-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001482024696 1394682868 /nfs/dbraw/zinc/68/28/68/1394682868.db2.gz HZZXSMZDJNLEBN-ATZDWAIDSA-N 2 1 349.494 3.246 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001482050081 1394712756 /nfs/dbraw/zinc/71/27/56/1394712756.db2.gz REHWHYYFDLSCSW-UHFFFAOYSA-N 2 1 345.531 3.055 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC2(C[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC001482245636 1394842681 /nfs/dbraw/zinc/84/26/81/1394842681.db2.gz LMQBOIREWBEPHJ-SFHVURJKSA-N 2 1 343.515 3.014 20 0 EGADMP C[N@@H+](CC(=O)N[C@@]1(C)CC[NH+](CC2CCCCCC2)C1)C1CCC1 ZINC001484049044 1395212539 /nfs/dbraw/zinc/21/25/39/1395212539.db2.gz YSKTWHUCXJMSGO-FQEVSTJZSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@@]1(C)CC[N@H+](CC2CCCCCC2)C1)C1CCC1 ZINC001484049044 1395212540 /nfs/dbraw/zinc/21/25/40/1395212540.db2.gz YSKTWHUCXJMSGO-FQEVSTJZSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@@]1(C)CC[N@@H+](CC2CCCCCC2)C1)C1CCC1 ZINC001484049044 1395212541 /nfs/dbraw/zinc/21/25/41/1395212541.db2.gz YSKTWHUCXJMSGO-FQEVSTJZSA-N 2 1 335.536 3.022 20 0 EGADMP CCC(CC)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001484114287 1395259026 /nfs/dbraw/zinc/25/90/26/1395259026.db2.gz FYHBKXWWBHCNHB-FQEVSTJZSA-N 2 1 339.568 3.229 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC2CCC2)CC1 ZINC001484138314 1395274723 /nfs/dbraw/zinc/27/47/23/1395274723.db2.gz XKTVYVJBIBBMAL-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@]1(C)CCC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001484171831 1395314031 /nfs/dbraw/zinc/31/40/31/1395314031.db2.gz APFVOPOIGIENQB-RXVVDRJESA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]1(C)CCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001484171831 1395314034 /nfs/dbraw/zinc/31/40/34/1395314034.db2.gz APFVOPOIGIENQB-RXVVDRJESA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]1(C)CCC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001484171831 1395314036 /nfs/dbraw/zinc/31/40/36/1395314036.db2.gz APFVOPOIGIENQB-RXVVDRJESA-N 2 1 345.531 3.308 20 0 EGADMP CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(Cl)s1)[NH+](C)C ZINC001484765868 1395520103 /nfs/dbraw/zinc/52/01/03/1395520103.db2.gz VNDXZUKXTJCVBU-AWEZNQCLSA-N 2 1 345.940 3.022 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CC1CCCCC1 ZINC001484976102 1395616040 /nfs/dbraw/zinc/61/60/40/1395616040.db2.gz BGTKNYCFYBKWPK-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP CCc1ccccc1C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001484981454 1395621277 /nfs/dbraw/zinc/62/12/77/1395621277.db2.gz OBFACZAWNHSYIX-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001484981454 1395621283 /nfs/dbraw/zinc/62/12/83/1395621283.db2.gz OBFACZAWNHSYIX-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001484981454 1395621288 /nfs/dbraw/zinc/62/12/88/1395621288.db2.gz OBFACZAWNHSYIX-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1CC1CCCCC1 ZINC001484987609 1395631374 /nfs/dbraw/zinc/63/13/74/1395631374.db2.gz DCNZXQDQUOWHHL-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CC/C=C/CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001485239457 1395732793 /nfs/dbraw/zinc/73/27/93/1395732793.db2.gz OZKKXVDENVEQRC-LKFCSYKXSA-N 2 1 335.536 3.186 20 0 EGADMP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@@H+](C)Cc1ccc(F)cc1 ZINC001485304224 1395782308 /nfs/dbraw/zinc/78/23/08/1395782308.db2.gz VCTWGEHTYCHUOB-MRXNPFEDSA-N 2 1 349.494 3.027 20 0 EGADMP CC(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001486207711 1396182332 /nfs/dbraw/zinc/18/23/32/1396182332.db2.gz MJIZFXRDTDURNI-MSOLQXFVSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCN(C)[C@H](C)c1ccccc1F ZINC001492442111 1396322347 /nfs/dbraw/zinc/32/23/47/1396322347.db2.gz UILKJHIAFMUESW-APWZRJJASA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1ccccc1F ZINC001492442111 1396322349 /nfs/dbraw/zinc/32/23/49/1396322349.db2.gz UILKJHIAFMUESW-APWZRJJASA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)c1ccccc1F ZINC001492442111 1396322350 /nfs/dbraw/zinc/32/23/50/1396322350.db2.gz UILKJHIAFMUESW-APWZRJJASA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)c1ccccc1F ZINC001492442111 1396322351 /nfs/dbraw/zinc/32/23/51/1396322351.db2.gz UILKJHIAFMUESW-APWZRJJASA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001494857648 1396500572 /nfs/dbraw/zinc/50/05/72/1396500572.db2.gz UQGRXJBGDSRGKE-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001494857648 1396500574 /nfs/dbraw/zinc/50/05/74/1396500574.db2.gz UQGRXJBGDSRGKE-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001494857648 1396500575 /nfs/dbraw/zinc/50/05/75/1396500575.db2.gz UQGRXJBGDSRGKE-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1)c1ccccc1 ZINC001690112875 1404309563 /nfs/dbraw/zinc/30/95/63/1404309563.db2.gz OVJMRAASNAQXSN-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1)c1ccccc1 ZINC001690112875 1404309566 /nfs/dbraw/zinc/30/95/66/1404309566.db2.gz OVJMRAASNAQXSN-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001690505126 1404617405 /nfs/dbraw/zinc/61/74/05/1404617405.db2.gz OCOYMJMTMMJLNI-QUCCMNQESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC001691402923 1405241527 /nfs/dbraw/zinc/24/15/27/1405241527.db2.gz UNNAEYHUNKUTCA-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001691402923 1405241531 /nfs/dbraw/zinc/24/15/31/1405241531.db2.gz UNNAEYHUNKUTCA-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@@H](C)c1ccccc1F ZINC001691409286 1405246608 /nfs/dbraw/zinc/24/66/08/1405246608.db2.gz AWWPHIDCSAZJNM-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@@H](C)c1ccccc1F ZINC001691409286 1405246611 /nfs/dbraw/zinc/24/66/11/1405246611.db2.gz AWWPHIDCSAZJNM-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)c1ccccc1F ZINC001691409286 1405246612 /nfs/dbraw/zinc/24/66/12/1405246612.db2.gz AWWPHIDCSAZJNM-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)c1ccccc1F ZINC001691409286 1405246616 /nfs/dbraw/zinc/24/66/16/1405246616.db2.gz AWWPHIDCSAZJNM-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP CN(CC[NH2+][C@H]1CCCc2ccccc21)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001691477191 1405293504 /nfs/dbraw/zinc/29/35/04/1405293504.db2.gz ZVLQSNDGEWRCSM-IBGZPJMESA-N 2 1 345.531 3.090 20 0 EGADMP CCCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@@H+](CCC)C1 ZINC001691865034 1405584605 /nfs/dbraw/zinc/58/46/05/1405584605.db2.gz YUCOTLNTYDKRFF-FQEVSTJZSA-N 2 1 345.531 3.127 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(CC)[C@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001698587367 1406206578 /nfs/dbraw/zinc/20/65/78/1406206578.db2.gz NQTUBEWJIOEEID-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N(CC)[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001698587367 1406206582 /nfs/dbraw/zinc/20/65/82/1406206582.db2.gz NQTUBEWJIOEEID-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001698587367 1406206585 /nfs/dbraw/zinc/20/65/85/1406206585.db2.gz NQTUBEWJIOEEID-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001698602766 1406229309 /nfs/dbraw/zinc/22/93/09/1406229309.db2.gz OZFBBADUDJPRHM-FUHWJXTLSA-N 2 1 331.504 3.025 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001732165009 1428406894 /nfs/dbraw/zinc/40/68/94/1428406894.db2.gz JBXKBTFCAYKPAF-PMACEKPBSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001732165009 1428406896 /nfs/dbraw/zinc/40/68/96/1428406896.db2.gz JBXKBTFCAYKPAF-PMACEKPBSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001732165009 1428406898 /nfs/dbraw/zinc/40/68/98/1428406898.db2.gz JBXKBTFCAYKPAF-PMACEKPBSA-N 2 1 343.515 3.155 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]CCC3CCCCCC3)CCCC2)C1 ZINC001732399146 1428565255 /nfs/dbraw/zinc/56/52/55/1428565255.db2.gz VYNCLVXAMFZSRA-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001732534336 1428655433 /nfs/dbraw/zinc/65/54/33/1428655433.db2.gz XCOGQZTXNLLJKW-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CC[C@@H]([NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001699220459 1412584806 /nfs/dbraw/zinc/58/48/06/1412584806.db2.gz UJNRJLSVPPLCKO-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP C[C@H](C[NH2+]CC1CCCCC1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001699372187 1412679674 /nfs/dbraw/zinc/67/96/74/1412679674.db2.gz DJMDEUBFCZKLLY-QGZVFWFLSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001699700919 1413114853 /nfs/dbraw/zinc/11/48/53/1413114853.db2.gz BFXNLBULCFAWNE-GHTZIAJQSA-N 2 1 343.515 3.014 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001699856283 1413287514 /nfs/dbraw/zinc/28/75/14/1413287514.db2.gz WNTAWQNYGNPHHN-NQIIRXRSSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)C[N@H+]1Cc2ccc(CNC(=O)C[NH+](C)CC(C)(C)C)cc2C1 ZINC001700252243 1413698612 /nfs/dbraw/zinc/69/86/12/1413698612.db2.gz DAIJWCNIRSAUNJ-UHFFFAOYSA-N 2 1 345.531 3.252 20 0 EGADMP CC(C)C[NH+]1Cc2ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)cc2C1 ZINC001700252243 1413698618 /nfs/dbraw/zinc/69/86/18/1413698618.db2.gz DAIJWCNIRSAUNJ-UHFFFAOYSA-N 2 1 345.531 3.252 20 0 EGADMP CC(C)C[NH+]1Cc2ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)cc2C1 ZINC001700252243 1413698621 /nfs/dbraw/zinc/69/86/21/1413698621.db2.gz DAIJWCNIRSAUNJ-UHFFFAOYSA-N 2 1 345.531 3.252 20 0 EGADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)CC1CCC(C)(C)CC1 ZINC001700460442 1414057202 /nfs/dbraw/zinc/05/72/02/1414057202.db2.gz KNTVYQFTJISSQV-INIZCTEOSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)CC1CCC(C)(C)CC1 ZINC001700460442 1414057211 /nfs/dbraw/zinc/05/72/11/1414057211.db2.gz KNTVYQFTJISSQV-INIZCTEOSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001700460442 1414057218 /nfs/dbraw/zinc/05/72/18/1414057218.db2.gz KNTVYQFTJISSQV-INIZCTEOSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CCC[NH+]([C@H](C)c1ccccc1)C2 ZINC001700620978 1414290351 /nfs/dbraw/zinc/29/03/51/1414290351.db2.gz FYYCLSDEAXEGOK-GOSISDBHSA-N 2 1 343.515 3.014 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC2(C1)CCC[N@@H+]([C@H](C)c1ccccc1)C2 ZINC001700620978 1414290353 /nfs/dbraw/zinc/29/03/53/1414290353.db2.gz FYYCLSDEAXEGOK-GOSISDBHSA-N 2 1 343.515 3.014 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+]([C@H](C)c1ccccc1)C2 ZINC001700620978 1414290357 /nfs/dbraw/zinc/29/03/57/1414290357.db2.gz FYYCLSDEAXEGOK-GOSISDBHSA-N 2 1 343.515 3.014 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[N@@H+](C)CCN(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001732584968 1428797468 /nfs/dbraw/zinc/79/74/68/1428797468.db2.gz DVHOZXIRMDSIKO-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC2CCC2)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001700844557 1414494081 /nfs/dbraw/zinc/49/40/81/1414494081.db2.gz WOYOFUZWHNTLKC-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CC2CCC2)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001700844555 1414494162 /nfs/dbraw/zinc/49/41/62/1414494162.db2.gz WOYOFUZWHNTLKC-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001700878787 1414534758 /nfs/dbraw/zinc/53/47/58/1414534758.db2.gz IFFWABSGCWBPQM-MJGOQNOKSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001700878787 1414534762 /nfs/dbraw/zinc/53/47/62/1414534762.db2.gz IFFWABSGCWBPQM-MJGOQNOKSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001700878787 1414534763 /nfs/dbraw/zinc/53/47/63/1414534763.db2.gz IFFWABSGCWBPQM-MJGOQNOKSA-N 2 1 337.552 3.410 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+][C@@H](C)c2ccccc2)C1 ZINC001701025495 1414687391 /nfs/dbraw/zinc/68/73/91/1414687391.db2.gz UYCDKSMNEMKSJM-IVMQYODDSA-N 2 1 331.504 3.059 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CCCC(C)(C)C ZINC001732596137 1428832539 /nfs/dbraw/zinc/83/25/39/1428832539.db2.gz YGCWQKUNELFPDT-SFHVURJKSA-N 2 1 339.568 3.466 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)CCCC(C)(C)C ZINC001732596137 1428832542 /nfs/dbraw/zinc/83/25/42/1428832542.db2.gz YGCWQKUNELFPDT-SFHVURJKSA-N 2 1 339.568 3.466 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCCC(C)(C)C ZINC001732596137 1428832550 /nfs/dbraw/zinc/83/25/50/1428832550.db2.gz YGCWQKUNELFPDT-SFHVURJKSA-N 2 1 339.568 3.466 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001733044289 1429176137 /nfs/dbraw/zinc/17/61/37/1429176137.db2.gz GTNHVIDXGYTONJ-LPHOPBHVSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001733044289 1429176141 /nfs/dbraw/zinc/17/61/41/1429176141.db2.gz GTNHVIDXGYTONJ-LPHOPBHVSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001733044289 1429176142 /nfs/dbraw/zinc/17/61/42/1429176142.db2.gz GTNHVIDXGYTONJ-LPHOPBHVSA-N 2 1 331.504 3.059 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@@H]2CCCC[N@H+]2CCC2CCCC2)CC1 ZINC001713256429 1417856057 /nfs/dbraw/zinc/85/60/57/1417856057.db2.gz GNACCDLINVFICV-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2ccc(C)cc2C)C1 ZINC001713399662 1418020742 /nfs/dbraw/zinc/02/07/42/1418020742.db2.gz QQLMAKXMWNFLQC-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C)cc2C)C1 ZINC001713399662 1418020746 /nfs/dbraw/zinc/02/07/46/1418020746.db2.gz QQLMAKXMWNFLQC-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C)cc2C)C1 ZINC001713399662 1418020750 /nfs/dbraw/zinc/02/07/50/1418020750.db2.gz QQLMAKXMWNFLQC-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCC[N@@H+](C)CC1CCCCCC1)c1ccccc1 ZINC001713477816 1418159905 /nfs/dbraw/zinc/15/99/05/1418159905.db2.gz FFADYBRIBHNCOC-HXUWFJFHSA-N 2 1 345.531 3.308 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCC[N@H+](C)CC1CCCCCC1)c1ccccc1 ZINC001713477816 1418159907 /nfs/dbraw/zinc/15/99/07/1418159907.db2.gz FFADYBRIBHNCOC-HXUWFJFHSA-N 2 1 345.531 3.308 20 0 EGADMP CC[C@H](C(=O)NCC[N@@H+](Cc1c(C)cc(C)cc1C)C1CC1)[NH+](C)C ZINC001713564591 1418372980 /nfs/dbraw/zinc/37/29/80/1418372980.db2.gz CUPONHYYVDAYBI-HXUWFJFHSA-N 2 1 345.531 3.033 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C2CC2)c1 ZINC001713564885 1418373966 /nfs/dbraw/zinc/37/39/66/1418373966.db2.gz OYGBZFRZPAVQCI-FXAWDEMLSA-N 2 1 345.531 3.223 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(Cc1ccccc1)[C@H]1CCC[NH+](C(C)C)C1 ZINC001713762496 1418573156 /nfs/dbraw/zinc/57/31/56/1418573156.db2.gz PFQCJRCQCIBQHI-FQEVSTJZSA-N 2 1 345.531 3.230 20 0 EGADMP CC[NH+](C)CCC(=O)N(Cc1ccccc1)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001713762496 1418573159 /nfs/dbraw/zinc/57/31/59/1418573159.db2.gz PFQCJRCQCIBQHI-FQEVSTJZSA-N 2 1 345.531 3.230 20 0 EGADMP CC[NH+](C)CCC(=O)N(Cc1ccccc1)[C@H]1CCC[N@H+](C(C)C)C1 ZINC001713762496 1418573164 /nfs/dbraw/zinc/57/31/64/1418573164.db2.gz PFQCJRCQCIBQHI-FQEVSTJZSA-N 2 1 345.531 3.230 20 0 EGADMP C[N@@H+](CCC1CCCC1)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001713764680 1418576833 /nfs/dbraw/zinc/57/68/33/1418576833.db2.gz KRMHSMWMLPAAQT-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCC1)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001713764680 1418576838 /nfs/dbraw/zinc/57/68/38/1418576838.db2.gz KRMHSMWMLPAAQT-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCC1)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001713764680 1418576839 /nfs/dbraw/zinc/57/68/39/1418576839.db2.gz KRMHSMWMLPAAQT-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001713856492 1418652835 /nfs/dbraw/zinc/65/28/35/1418652835.db2.gz ZGQIVXFGQCCKFP-HXUWFJFHSA-N 2 1 343.515 3.204 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001713917219 1418711876 /nfs/dbraw/zinc/71/18/76/1418711876.db2.gz HSFKRIPVIXQWSZ-QGZVFWFLSA-N 2 1 345.531 3.082 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001714050523 1418849361 /nfs/dbraw/zinc/84/93/61/1418849361.db2.gz YVWSMLBLZCEBBQ-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC001714050523 1418849364 /nfs/dbraw/zinc/84/93/64/1418849364.db2.gz YVWSMLBLZCEBBQ-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001714050523 1418849367 /nfs/dbraw/zinc/84/93/67/1418849367.db2.gz YVWSMLBLZCEBBQ-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001714092498 1418886411 /nfs/dbraw/zinc/88/64/11/1418886411.db2.gz WJFMXSAYGCOYIR-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001714149061 1418954975 /nfs/dbraw/zinc/95/49/75/1418954975.db2.gz CEUKJTOOBAWWKC-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001714149806 1418955878 /nfs/dbraw/zinc/95/58/78/1418955878.db2.gz FUFDNFJMGCXZRQ-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](NC(=O)C[NH+](C)C1CCC1)[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001714149806 1418955879 /nfs/dbraw/zinc/95/58/79/1418955879.db2.gz FUFDNFJMGCXZRQ-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](NC(=O)C[NH+](C)C1CCC1)[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001714149806 1418955881 /nfs/dbraw/zinc/95/58/81/1418955881.db2.gz FUFDNFJMGCXZRQ-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001714152063 1418958785 /nfs/dbraw/zinc/95/87/85/1418958785.db2.gz XHPXFSOZFHCZAF-QZTJIDSGSA-N 2 1 343.515 3.026 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)[C@H](CC)C1 ZINC001733196974 1429299451 /nfs/dbraw/zinc/29/94/51/1429299451.db2.gz HCRZXNVXGILKQQ-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001714412265 1419150879 /nfs/dbraw/zinc/15/08/79/1419150879.db2.gz PGPMQNFCVGAYLX-OALUTQOASA-N 2 1 337.552 3.316 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)[C@@H](C)c1ccccc1 ZINC001714587148 1419330758 /nfs/dbraw/zinc/33/07/58/1419330758.db2.gz OGZAMWQTFXEKJD-AZUAARDMSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[C@@H](C)c1ccccc1 ZINC001714587148 1419330762 /nfs/dbraw/zinc/33/07/62/1419330762.db2.gz OGZAMWQTFXEKJD-AZUAARDMSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C)[C@@H](C)c1ccccc1 ZINC001714587148 1419330766 /nfs/dbraw/zinc/33/07/66/1419330766.db2.gz OGZAMWQTFXEKJD-AZUAARDMSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@@H](C)c1ccccc1F ZINC001714619297 1419384893 /nfs/dbraw/zinc/38/48/93/1419384893.db2.gz OISVARZNTJQJIL-IRXDYDNUSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)c1ccccc1F ZINC001714619297 1419384896 /nfs/dbraw/zinc/38/48/96/1419384896.db2.gz OISVARZNTJQJIL-IRXDYDNUSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)c1ccccc1F ZINC001714619297 1419384900 /nfs/dbraw/zinc/38/49/00/1419384900.db2.gz OISVARZNTJQJIL-IRXDYDNUSA-N 2 1 349.494 3.199 20 0 EGADMP CCCN(C(=O)C[NH+]1CCC(C)CC1)[C@@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001714865160 1419590963 /nfs/dbraw/zinc/59/09/63/1419590963.db2.gz YPHTZCYKRCMYCI-SOAGJPPSSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC2(CC[NH+](CC)C2)CC1)c1ccccc1 ZINC001715216948 1419949826 /nfs/dbraw/zinc/94/98/26/1419949826.db2.gz KBIIRZUWQWOCSV-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CCC2(CC[N@H+](CC)C2)CC1)c1ccccc1 ZINC001715216948 1419949828 /nfs/dbraw/zinc/94/98/28/1419949828.db2.gz KBIIRZUWQWOCSV-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CCC2(CC[N@@H+](CC)C2)CC1)c1ccccc1 ZINC001715216948 1419949830 /nfs/dbraw/zinc/94/98/30/1419949830.db2.gz KBIIRZUWQWOCSV-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC2(CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001715217316 1419950383 /nfs/dbraw/zinc/95/03/83/1419950383.db2.gz NXWRGWKOTOVNDK-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC2CCCCC2)C1 ZINC001715322266 1420029761 /nfs/dbraw/zinc/02/97/61/1420029761.db2.gz QDDXKNXVQDCKHZ-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001715931871 1420404198 /nfs/dbraw/zinc/40/41/98/1420404198.db2.gz KEHIGWYTMRBUDF-SJORKVTESA-N 2 1 345.531 3.450 20 0 EGADMP C[C@H](C[N@@H+](C)[C@@H](C)c1ccccc1Cl)NC(=O)CCC[NH+](C)C ZINC001716492790 1420714937 /nfs/dbraw/zinc/71/49/37/1420714937.db2.gz WQONCANOMPEJMK-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP C[C@@]1(NC(=O)CC[NH+]2CCCCC2)CC[N@@H+](CC2CCCCC2)C1 ZINC001716854694 1420986504 /nfs/dbraw/zinc/98/65/04/1420986504.db2.gz ZVCMCQTXNAGLAD-HXUWFJFHSA-N 2 1 335.536 3.023 20 0 EGADMP CC(C)[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001716884058 1421007514 /nfs/dbraw/zinc/00/75/14/1421007514.db2.gz OSAQUDRYAANBPC-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001717125389 1421127460 /nfs/dbraw/zinc/12/74/60/1421127460.db2.gz KSZULPQEODCHLS-BHIYHBOVSA-N 2 1 348.535 3.138 20 0 EGADMP C[C@H](c1ccccc1F)[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001717493243 1421432064 /nfs/dbraw/zinc/43/20/64/1421432064.db2.gz TYVKRFWQBNPMKG-DLBZAZTESA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC1CCC(C)(C)CC1)[NH+](C)C ZINC001717495960 1421437231 /nfs/dbraw/zinc/43/72/31/1421437231.db2.gz YUBPIYAVDNPAQF-WMZOPIPTSA-N 2 1 339.568 3.226 20 0 EGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001717543249 1421484120 /nfs/dbraw/zinc/48/41/20/1421484120.db2.gz UJJHLUQKKOVSRD-IBGZPJMESA-N 2 1 337.552 3.413 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C[C@@H]1C ZINC001717827400 1421641328 /nfs/dbraw/zinc/64/13/28/1421641328.db2.gz IAFUJLLDPIGUQI-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2C(C)C)C[C@@H]1C ZINC001717828996 1421642069 /nfs/dbraw/zinc/64/20/69/1421642069.db2.gz ZMBKNEHFJOMFAT-PKOBYXMFSA-N 2 1 345.531 3.231 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1(C)CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001733362685 1429548107 /nfs/dbraw/zinc/54/81/07/1429548107.db2.gz JKNYCTNHFIBIKQ-INIZCTEOSA-N 2 1 349.494 3.199 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@]2(C)CC[N@@H+](CCC3CCCCCC3)C2)CC1 ZINC001733410219 1429609388 /nfs/dbraw/zinc/60/93/88/1429609388.db2.gz HAPNGOIAASSVQC-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1(C)CC[NH+](CC2CCC2)CC1 ZINC001733453261 1429667256 /nfs/dbraw/zinc/66/72/56/1429667256.db2.gz ZGFVHEQIUVQSLP-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001724846780 1425199990 /nfs/dbraw/zinc/19/99/90/1425199990.db2.gz TZTZGJSRYREKGN-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001724846780 1425199992 /nfs/dbraw/zinc/19/99/92/1425199992.db2.gz TZTZGJSRYREKGN-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001724846780 1425199996 /nfs/dbraw/zinc/19/99/96/1425199996.db2.gz TZTZGJSRYREKGN-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CCc1ccccc1C[N@@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001724851836 1425215952 /nfs/dbraw/zinc/21/59/52/1425215952.db2.gz NTAQBHCUUVZEGN-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001724868827 1425251935 /nfs/dbraw/zinc/25/19/35/1425251935.db2.gz RECNNRXRODJSTE-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cccc(F)c2)[C@@H](C)C1 ZINC001725003286 1425414681 /nfs/dbraw/zinc/41/46/81/1425414681.db2.gz PAAYZIQBPZCFSV-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2)[C@@H](C)C1 ZINC001725003286 1425414686 /nfs/dbraw/zinc/41/46/86/1425414686.db2.gz PAAYZIQBPZCFSV-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2)[C@@H](C)C1 ZINC001725003286 1425414693 /nfs/dbraw/zinc/41/46/93/1425414693.db2.gz PAAYZIQBPZCFSV-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CN(C(=O)C[N@@H+](C)C1CCC1)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC001725131200 1425600298 /nfs/dbraw/zinc/60/02/98/1425600298.db2.gz QPDZFQITTVGZMD-UHFFFAOYSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](C)[N@H+](C)[C@H](C)c1ccccc1 ZINC001725182179 1425708766 /nfs/dbraw/zinc/70/87/66/1425708766.db2.gz BEOFLOSYVBSPCQ-DLBZAZTESA-N 2 1 342.487 3.169 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)c1ccccc1 ZINC001725182179 1425708774 /nfs/dbraw/zinc/70/87/74/1425708774.db2.gz BEOFLOSYVBSPCQ-DLBZAZTESA-N 2 1 342.487 3.169 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001725513613 1426203244 /nfs/dbraw/zinc/20/32/44/1426203244.db2.gz WCOPKOXZYCODJS-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1C ZINC001725564998 1426227240 /nfs/dbraw/zinc/22/72/40/1426227240.db2.gz ITGQGSHAJUDMDL-IEBWSBKVSA-N 2 1 345.531 3.052 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1csc(C)c1 ZINC001731466392 1427444520 /nfs/dbraw/zinc/44/45/20/1427444520.db2.gz ONJKZMFVVBICAM-AYHJJNSGSA-N 2 1 349.544 3.010 20 0 EGADMP CC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc(C)c1 ZINC001731466392 1427444522 /nfs/dbraw/zinc/44/45/22/1427444522.db2.gz ONJKZMFVVBICAM-AYHJJNSGSA-N 2 1 349.544 3.010 20 0 EGADMP CC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(C)c1 ZINC001731466392 1427444524 /nfs/dbraw/zinc/44/45/24/1427444524.db2.gz ONJKZMFVVBICAM-AYHJJNSGSA-N 2 1 349.544 3.010 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+][C@H](C)c2ccccc2F)CC1 ZINC001731572775 1427615851 /nfs/dbraw/zinc/61/58/51/1427615851.db2.gz KSUZESLUQOFBFI-KLAILNCOSA-N 2 1 349.494 3.246 20 0 EGADMP CC[C@H]([NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC001731637278 1427694043 /nfs/dbraw/zinc/69/40/43/1427694043.db2.gz MSAFHLNZHMGCAB-DYVFJYSZSA-N 2 1 348.878 3.091 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001731880074 1428150175 /nfs/dbraw/zinc/15/01/75/1428150175.db2.gz ATNNNOXDHYMDDU-XLIONFOSSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001731880074 1428150177 /nfs/dbraw/zinc/15/01/77/1428150177.db2.gz ATNNNOXDHYMDDU-XLIONFOSSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001731880074 1428150180 /nfs/dbraw/zinc/15/01/80/1428150180.db2.gz ATNNNOXDHYMDDU-XLIONFOSSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001731976156 1428191938 /nfs/dbraw/zinc/19/19/38/1428191938.db2.gz AZABPTSXCFAGKE-QGZVFWFLSA-N 2 1 341.499 3.291 20 0 EGADMP CCCCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001733676322 1429871644 /nfs/dbraw/zinc/87/16/44/1429871644.db2.gz DFFPJEIMGFBIEY-FQEVSTJZSA-N 2 1 345.531 3.409 20 0 EGADMP CCCCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001733676322 1429871651 /nfs/dbraw/zinc/87/16/51/1429871651.db2.gz DFFPJEIMGFBIEY-FQEVSTJZSA-N 2 1 345.531 3.409 20 0 EGADMP CCCCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001733676322 1429871659 /nfs/dbraw/zinc/87/16/59/1429871659.db2.gz DFFPJEIMGFBIEY-FQEVSTJZSA-N 2 1 345.531 3.409 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCC[NH+]2C)c1 ZINC001733773504 1430012195 /nfs/dbraw/zinc/01/21/95/1430012195.db2.gz IXMHCDITCMDKBY-QUCCMNQESA-N 2 1 345.531 3.321 20 0 EGADMP Cc1cccc([C@@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001733773504 1430012198 /nfs/dbraw/zinc/01/21/98/1430012198.db2.gz IXMHCDITCMDKBY-QUCCMNQESA-N 2 1 345.531 3.321 20 0 EGADMP Cc1cccc([C@@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC001733773504 1430012201 /nfs/dbraw/zinc/01/22/01/1430012201.db2.gz IXMHCDITCMDKBY-QUCCMNQESA-N 2 1 345.531 3.321 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](C[C@@H](C)CC(C)C)CC1(C)C ZINC001733877587 1437704374 /nfs/dbraw/zinc/70/43/74/1437704374.db2.gz CPRWKCILWPURQL-ZWKOTPCHSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](C[C@@H](C)CC(C)C)CC1(C)C ZINC001733877587 1437704376 /nfs/dbraw/zinc/70/43/76/1437704376.db2.gz CPRWKCILWPURQL-ZWKOTPCHSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](C[C@@H](C)CC(C)C)CC1(C)C ZINC001733877587 1437704378 /nfs/dbraw/zinc/70/43/78/1437704378.db2.gz CPRWKCILWPURQL-ZWKOTPCHSA-N 2 1 339.568 3.227 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cccc(CC)c2)[C@@H](C)C1 ZINC001733897974 1437715655 /nfs/dbraw/zinc/71/56/55/1437715655.db2.gz BOLMIJDZQQPLOZ-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(CC)c2)[C@@H](C)C1 ZINC001733897974 1437715657 /nfs/dbraw/zinc/71/56/57/1437715657.db2.gz BOLMIJDZQQPLOZ-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(CC)c2)[C@@H](C)C1 ZINC001733897974 1437715659 /nfs/dbraw/zinc/71/56/59/1437715659.db2.gz BOLMIJDZQQPLOZ-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001734051233 1437841184 /nfs/dbraw/zinc/84/11/84/1437841184.db2.gz KSPAAEMKXCJTDT-KRWDZBQOSA-N 2 1 347.547 3.262 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001734121272 1437901542 /nfs/dbraw/zinc/90/15/42/1437901542.db2.gz IMHNPQZAWYKPKJ-DLBZAZTESA-N 2 1 345.531 3.162 20 0 EGADMP CCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001734268837 1437989877 /nfs/dbraw/zinc/98/98/77/1437989877.db2.gz CGDUPKZUHJCQIR-IBGZPJMESA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001734268837 1437989885 /nfs/dbraw/zinc/98/98/85/1437989885.db2.gz CGDUPKZUHJCQIR-IBGZPJMESA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001734268837 1437989892 /nfs/dbraw/zinc/98/98/92/1437989892.db2.gz CGDUPKZUHJCQIR-IBGZPJMESA-N 2 1 335.536 3.116 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)[C@H]1C ZINC001734462453 1438119197 /nfs/dbraw/zinc/11/91/97/1438119197.db2.gz VUBYPTLCTBJGAL-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)[C@H]1C ZINC001734462453 1438119199 /nfs/dbraw/zinc/11/91/99/1438119199.db2.gz VUBYPTLCTBJGAL-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)[C@H]1C ZINC001734462453 1438119201 /nfs/dbraw/zinc/11/92/01/1438119201.db2.gz VUBYPTLCTBJGAL-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001752155416 1440146849 /nfs/dbraw/zinc/14/68/49/1440146849.db2.gz GQZPVMLPLJYNGR-APWZRJJASA-N 2 1 349.494 3.025 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C1CC[NH+](CC2CCC(C)CC2)CC1 ZINC001752310112 1440169793 /nfs/dbraw/zinc/16/97/93/1440169793.db2.gz JDIFJZVYRZFQEB-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001752427000 1440177516 /nfs/dbraw/zinc/17/75/16/1440177516.db2.gz MPXSXECMUMNLAS-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001752432349 1440178850 /nfs/dbraw/zinc/17/88/50/1440178850.db2.gz TZWGXTRXSIBQLK-RTBURBONSA-N 2 1 343.515 3.060 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001752442235 1440181582 /nfs/dbraw/zinc/18/15/82/1440181582.db2.gz RDADSPYDAUMHAK-UHFFFAOYSA-N 2 1 339.568 3.466 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001752470542 1440184315 /nfs/dbraw/zinc/18/43/15/1440184315.db2.gz HCBCIRHNGGJXEK-MOPGFXCFSA-N 2 1 349.563 3.027 20 0 EGADMP CC/C=C/CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001752516285 1440191257 /nfs/dbraw/zinc/19/12/57/1440191257.db2.gz CMSZJCABLRUVCH-TYFAACHXSA-N 2 1 337.552 3.099 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001752567697 1440195521 /nfs/dbraw/zinc/19/55/21/1440195521.db2.gz KVLKIXOJEMYBCV-BGYRXZFFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001752629431 1440197053 /nfs/dbraw/zinc/19/70/53/1440197053.db2.gz XWJGKKWOEGWXNF-FHWLQOOXSA-N 2 1 349.563 3.458 20 0 EGADMP C[NH+](C)CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001752699535 1440201568 /nfs/dbraw/zinc/20/15/68/1440201568.db2.gz ZRTOFVNMTFSCLD-IHWFROFDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001752818803 1440219166 /nfs/dbraw/zinc/21/91/66/1440219166.db2.gz JDLPISDGMPZEDY-IEVDXQOXSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001752818803 1440219167 /nfs/dbraw/zinc/21/91/67/1440219167.db2.gz JDLPISDGMPZEDY-IEVDXQOXSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001752818803 1440219168 /nfs/dbraw/zinc/21/91/68/1440219168.db2.gz JDLPISDGMPZEDY-IEVDXQOXSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001752854186 1440234353 /nfs/dbraw/zinc/23/43/53/1440234353.db2.gz VZGNZUJIKPXPHG-GXAPIZNRSA-N 2 1 349.563 3.480 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1)C1CCC1 ZINC001752972160 1440255266 /nfs/dbraw/zinc/25/52/66/1440255266.db2.gz UZYWGCCBVRECLS-QZTJIDSGSA-N 2 1 335.536 3.068 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001752993114 1440260310 /nfs/dbraw/zinc/26/03/10/1440260310.db2.gz ARIIBEDFYXEFRC-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001752993114 1440260311 /nfs/dbraw/zinc/26/03/11/1440260311.db2.gz ARIIBEDFYXEFRC-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001752993114 1440260312 /nfs/dbraw/zinc/26/03/12/1440260312.db2.gz ARIIBEDFYXEFRC-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCc1ccccc1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001753020138 1440269614 /nfs/dbraw/zinc/26/96/14/1440269614.db2.gz DFBLPLCMNMAINA-YLJYHZDGSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001753030748 1440272822 /nfs/dbraw/zinc/27/28/22/1440272822.db2.gz DOBMXPQXSXOHBF-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC1CC1 ZINC001753035753 1440274567 /nfs/dbraw/zinc/27/45/67/1440274567.db2.gz JVQUHJLPVTZZPD-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CCC1CC1 ZINC001753035753 1440274568 /nfs/dbraw/zinc/27/45/68/1440274568.db2.gz JVQUHJLPVTZZPD-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CCC1CC1 ZINC001753035753 1440274569 /nfs/dbraw/zinc/27/45/69/1440274569.db2.gz JVQUHJLPVTZZPD-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CC1CCCC1 ZINC001753061726 1440283539 /nfs/dbraw/zinc/28/35/39/1440283539.db2.gz MXCREKMEQPLZHS-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)CC1CCCC1 ZINC001753061726 1440283540 /nfs/dbraw/zinc/28/35/40/1440283540.db2.gz MXCREKMEQPLZHS-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)CC1CCCC1 ZINC001753061726 1440283541 /nfs/dbraw/zinc/28/35/41/1440283541.db2.gz MXCREKMEQPLZHS-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H](c1ccc2ccccc2c1)[N@@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001753061841 1440283940 /nfs/dbraw/zinc/28/39/40/1440283940.db2.gz YJLARTBOUQRVRQ-QGZVFWFLSA-N 2 1 341.499 3.291 20 0 EGADMP CCCc1ccc(C[N@@H+](C)CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001753074286 1440290329 /nfs/dbraw/zinc/29/03/29/1440290329.db2.gz GLKNPSBMGIDFAZ-HDICACEKSA-N 2 1 345.531 3.060 20 0 EGADMP CCCc1ccc(C[NH+](C)CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001753074286 1440290330 /nfs/dbraw/zinc/29/03/30/1440290330.db2.gz GLKNPSBMGIDFAZ-HDICACEKSA-N 2 1 345.531 3.060 20 0 EGADMP CCCc1ccc(C[NH+](C)CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001753074286 1440290331 /nfs/dbraw/zinc/29/03/31/1440290331.db2.gz GLKNPSBMGIDFAZ-HDICACEKSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H](C)c1cc(C)ccc1C ZINC001753086621 1440296659 /nfs/dbraw/zinc/29/66/59/1440296659.db2.gz AEIKOJIDZXUBNG-SFHVURJKSA-N 2 1 345.531 3.144 20 0 EGADMP C[NH+]1CCC(CC(=O)NC[C@H]2CCC[N@H+]2CCC2CCCCC2)CC1 ZINC001753113094 1440309906 /nfs/dbraw/zinc/30/99/06/1440309906.db2.gz KOODOXBQIATHIO-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CCC1CCCC1 ZINC001753148955 1440326568 /nfs/dbraw/zinc/32/65/68/1440326568.db2.gz SSHHOQGGDAWMPA-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)CCC1CCCC1 ZINC001753148955 1440326569 /nfs/dbraw/zinc/32/65/69/1440326569.db2.gz SSHHOQGGDAWMPA-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)CCC1CCCC1 ZINC001753148955 1440326570 /nfs/dbraw/zinc/32/65/70/1440326570.db2.gz SSHHOQGGDAWMPA-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1cc(C[NH+](CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C2CC2)cs1 ZINC001753165161 1440335764 /nfs/dbraw/zinc/33/57/64/1440335764.db2.gz PJPPNEPURQHRNR-GASCZTMLSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@@H+](CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)C2CC2)cs1 ZINC001753165161 1440335765 /nfs/dbraw/zinc/33/57/65/1440335765.db2.gz PJPPNEPURQHRNR-GASCZTMLSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@H+](CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)C2CC2)cs1 ZINC001753165161 1440335766 /nfs/dbraw/zinc/33/57/66/1440335766.db2.gz PJPPNEPURQHRNR-GASCZTMLSA-N 2 1 349.544 3.010 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC001753297758 1440353025 /nfs/dbraw/zinc/35/30/25/1440353025.db2.gz RESWZNLNUUZQLD-UXHICEINSA-N 2 1 343.515 3.108 20 0 EGADMP CC(C)[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC001753299079 1440353459 /nfs/dbraw/zinc/35/34/59/1440353459.db2.gz SCFWARKWNAIEDE-PMACEKPBSA-N 2 1 343.515 3.249 20 0 EGADMP CCCCCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001753315632 1440359253 /nfs/dbraw/zinc/35/92/53/1440359253.db2.gz CAUGTWJTTWOQCP-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@@H](N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001753319295 1440361956 /nfs/dbraw/zinc/36/19/56/1440361956.db2.gz CFBJNYFONSDZGW-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC/C=C/CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001753328960 1440368222 /nfs/dbraw/zinc/36/82/22/1440368222.db2.gz QYSJXHXONWUIJC-CKHBTRQNSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001753328960 1440368223 /nfs/dbraw/zinc/36/82/23/1440368223.db2.gz QYSJXHXONWUIJC-CKHBTRQNSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001753328960 1440368224 /nfs/dbraw/zinc/36/82/24/1440368224.db2.gz QYSJXHXONWUIJC-CKHBTRQNSA-N 2 1 349.563 3.386 20 0 EGADMP CCCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001753349970 1440377470 /nfs/dbraw/zinc/37/74/70/1440377470.db2.gz ZTULUPNJVKZICM-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001753349970 1440377471 /nfs/dbraw/zinc/37/74/71/1440377471.db2.gz ZTULUPNJVKZICM-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001753349970 1440377472 /nfs/dbraw/zinc/37/74/72/1440377472.db2.gz ZTULUPNJVKZICM-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001753361022 1440382838 /nfs/dbraw/zinc/38/28/38/1440382838.db2.gz VAGIPEKINBRJSC-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001753365790 1440384978 /nfs/dbraw/zinc/38/49/78/1440384978.db2.gz RYOWYMBZTSZEIT-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001753365790 1440384979 /nfs/dbraw/zinc/38/49/79/1440384979.db2.gz RYOWYMBZTSZEIT-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001753365790 1440384980 /nfs/dbraw/zinc/38/49/80/1440384980.db2.gz RYOWYMBZTSZEIT-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001753445230 1440403574 /nfs/dbraw/zinc/40/35/74/1440403574.db2.gz IJIRHCYWFBSLAD-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001753445230 1440403575 /nfs/dbraw/zinc/40/35/75/1440403575.db2.gz IJIRHCYWFBSLAD-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001753459485 1440409941 /nfs/dbraw/zinc/40/99/41/1440409941.db2.gz OFMMXTHVOWYULI-ICSRJNTNSA-N 2 1 345.531 3.321 20 0 EGADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCC1CCCCCC1 ZINC001753473689 1440414774 /nfs/dbraw/zinc/41/47/74/1440414774.db2.gz MAYLKVOKFFYBOJ-NZSAHSFTSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@]1(C[NH2+]CC2CCCC2)CCCC[C@@H]1C ZINC001753534906 1440432290 /nfs/dbraw/zinc/43/22/90/1440432290.db2.gz ABYARSJFYCWBJJ-FXAWDEMLSA-N 2 1 337.552 3.173 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@]1(C[NH2+]Cc2ccccc2)CCCC[C@@H]1C ZINC001753536036 1440432622 /nfs/dbraw/zinc/43/26/22/1440432622.db2.gz OPXUFXGHFYCHOS-RXVVDRJESA-N 2 1 345.531 3.183 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001753550407 1440434841 /nfs/dbraw/zinc/43/48/41/1440434841.db2.gz QBIRQAJLBXVESK-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H](C)F)CC1 ZINC001753585169 1440441208 /nfs/dbraw/zinc/44/12/08/1440441208.db2.gz WMNJGMFSYPDCTK-XSLAGTTESA-N 2 1 341.515 3.014 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCC2CCC2)CC1 ZINC001753587456 1440441754 /nfs/dbraw/zinc/44/17/54/1440441754.db2.gz DXTGDVJTJUXEOW-UFYCRDLUSA-N 2 1 349.563 3.458 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCC(C)C)CC1 ZINC001753588009 1440441889 /nfs/dbraw/zinc/44/18/89/1440441889.db2.gz WRCMROSKCRFMKR-GUDVDZBRSA-N 2 1 337.552 3.314 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C[NH2+]CC1CC(C)(C)C1 ZINC001753617974 1440450123 /nfs/dbraw/zinc/45/01/23/1440450123.db2.gz CADSLWIOSWYDSF-QFBILLFUSA-N 2 1 349.563 3.172 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001753664855 1440459838 /nfs/dbraw/zinc/45/98/38/1440459838.db2.gz FRHVZHFEQCHIIZ-LJQANCHMSA-N 2 1 349.563 3.460 20 0 EGADMP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C1CCC1)c1ccc(F)cc1 ZINC001753695899 1440467485 /nfs/dbraw/zinc/46/74/85/1440467485.db2.gz AKDNEGOKUDZPAA-BEFAXECRSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[NH2+]C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CCCCC1 ZINC001753749542 1440482215 /nfs/dbraw/zinc/48/22/15/1440482215.db2.gz LZLLEKBJHXQXFS-PMACEKPBSA-N 2 1 345.531 3.352 20 0 EGADMP CCC(CC)C[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001753788289 1440488568 /nfs/dbraw/zinc/48/85/68/1440488568.db2.gz ONBDSTUJOQQIBO-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCC(C)C ZINC001753811682 1440492805 /nfs/dbraw/zinc/49/28/05/1440492805.db2.gz MCPPMYHESCJUPK-HKUYNNGSSA-N 2 1 348.535 3.235 20 0 EGADMP CC[N@@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001753823362 1440497271 /nfs/dbraw/zinc/49/72/71/1440497271.db2.gz FQGDWQSVQFFIFR-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NC[C@H]([NH2+]CC1CCC(C)(C)CC1)C(C)C ZINC001753833568 1440500273 /nfs/dbraw/zinc/50/02/73/1440500273.db2.gz DPLHBUIHDPESPW-SFHVURJKSA-N 2 1 348.535 3.138 20 0 EGADMP C[C@H](c1ccccc1F)[N@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001753855229 1440508627 /nfs/dbraw/zinc/50/86/27/1440508627.db2.gz PQGHCMVJAWRVIR-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H](c1ccccc1F)[N@@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001753855229 1440508628 /nfs/dbraw/zinc/50/86/28/1440508628.db2.gz PQGHCMVJAWRVIR-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H](c1ccccc1F)[NH+](C)CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001753855229 1440508629 /nfs/dbraw/zinc/50/86/29/1440508629.db2.gz PQGHCMVJAWRVIR-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H](c1ccccc1F)[NH+](C)CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001753855229 1440508630 /nfs/dbraw/zinc/50/86/30/1440508630.db2.gz PQGHCMVJAWRVIR-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001753860871 1440511217 /nfs/dbraw/zinc/51/12/17/1440511217.db2.gz MUPYJAPZSKOAIV-JZXOWHBKSA-N 2 1 349.494 3.007 20 0 EGADMP C[C@H](c1ccc(F)cc1)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753860871 1440511218 /nfs/dbraw/zinc/51/12/18/1440511218.db2.gz MUPYJAPZSKOAIV-JZXOWHBKSA-N 2 1 349.494 3.007 20 0 EGADMP C[C@H](c1ccc(F)cc1)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001753860871 1440511219 /nfs/dbraw/zinc/51/12/19/1440511219.db2.gz MUPYJAPZSKOAIV-JZXOWHBKSA-N 2 1 349.494 3.007 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC1=CCCCC1 ZINC001754007382 1440531017 /nfs/dbraw/zinc/53/10/17/1440531017.db2.gz LQPWRQILPBFXRW-PKOBYXMFSA-N 2 1 335.536 3.234 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(CF)cc1 ZINC001754025306 1440533118 /nfs/dbraw/zinc/53/31/18/1440533118.db2.gz ILQVUYAFTJDHLV-VQIMIIECSA-N 2 1 349.494 3.015 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001754250314 1440557787 /nfs/dbraw/zinc/55/77/87/1440557787.db2.gz YMUHNFVOVQJXSF-SJORKVTESA-N 2 1 341.499 3.337 20 0 EGADMP C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001754267030 1440560830 /nfs/dbraw/zinc/56/08/30/1440560830.db2.gz SUWBXOJDLJDPJN-HKUYNNGSSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cc(C)ccc1C ZINC001754309680 1440572537 /nfs/dbraw/zinc/57/25/37/1440572537.db2.gz DLVTWGZTNHALES-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1cc(C)ccc1C ZINC001754309680 1440572538 /nfs/dbraw/zinc/57/25/38/1440572538.db2.gz DLVTWGZTNHALES-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(C)ccc1C ZINC001754309680 1440572539 /nfs/dbraw/zinc/57/25/39/1440572539.db2.gz DLVTWGZTNHALES-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H](C[N@@H+](C)CC1CCCCCC1)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001754312862 1440574058 /nfs/dbraw/zinc/57/40/58/1440574058.db2.gz JVZWYXMTYGFFMB-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](C[NH+](C)CC1CCCCCC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001754312862 1440574059 /nfs/dbraw/zinc/57/40/59/1440574059.db2.gz JVZWYXMTYGFFMB-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](C[NH+](C)CC1CCCCCC1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001754312862 1440574060 /nfs/dbraw/zinc/57/40/60/1440574060.db2.gz JVZWYXMTYGFFMB-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](C[N@@H+](C)CCC1=CCCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001754337159 1440587118 /nfs/dbraw/zinc/58/71/18/1440587118.db2.gz SDDMQNJCGCRAKZ-GOSISDBHSA-N 2 1 335.536 3.189 20 0 EGADMP CCCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1CC ZINC001754466528 1440604358 /nfs/dbraw/zinc/60/43/58/1440604358.db2.gz FXBZLWRMEJPVCR-QZTJIDSGSA-N 2 1 348.535 3.413 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001754482729 1440607934 /nfs/dbraw/zinc/60/79/34/1440607934.db2.gz RHHQJCCITVTLOE-AEFFLSMTSA-N 2 1 346.519 3.167 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001754482729 1440607935 /nfs/dbraw/zinc/60/79/35/1440607935.db2.gz RHHQJCCITVTLOE-AEFFLSMTSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)C[NH+]1CCC(C)(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001754628351 1440646903 /nfs/dbraw/zinc/64/69/03/1440646903.db2.gz QZSURKJVHDQSGI-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH2+]C(C)C)c1ccc2ccccc2c1 ZINC001754644615 1440649928 /nfs/dbraw/zinc/64/99/28/1440649928.db2.gz VNRWZLWGVYZRCA-FQEVSTJZSA-N 2 1 341.499 3.337 20 0 EGADMP CCCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CCC)C2 ZINC001754662399 1440655433 /nfs/dbraw/zinc/65/54/33/1440655433.db2.gz YKSHODNQVZBCBF-FQEVSTJZSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)CCC)C2 ZINC001754662399 1440655434 /nfs/dbraw/zinc/65/54/34/1440655434.db2.gz YKSHODNQVZBCBF-FQEVSTJZSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)CCC)C2 ZINC001754662399 1440655435 /nfs/dbraw/zinc/65/54/35/1440655435.db2.gz YKSHODNQVZBCBF-FQEVSTJZSA-N 2 1 337.552 3.223 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001754729642 1440678549 /nfs/dbraw/zinc/67/85/49/1440678549.db2.gz OFLNREOEZYWHLA-OAQYLSRUSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001754734409 1440681485 /nfs/dbraw/zinc/68/14/85/1440681485.db2.gz VJHPCSNPTYRHSF-RXVVDRJESA-N 2 1 343.515 3.062 20 0 EGADMP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001754831713 1440695472 /nfs/dbraw/zinc/69/54/72/1440695472.db2.gz LTZYKYAWXCJVQK-YSTOQKLRSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001754831713 1440695473 /nfs/dbraw/zinc/69/54/73/1440695473.db2.gz LTZYKYAWXCJVQK-YSTOQKLRSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001754831713 1440695474 /nfs/dbraw/zinc/69/54/74/1440695474.db2.gz LTZYKYAWXCJVQK-YSTOQKLRSA-N 2 1 347.547 3.186 20 0 EGADMP CCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001754868249 1440703903 /nfs/dbraw/zinc/70/39/03/1440703903.db2.gz OBMZDWRWKSTJCT-GBESFXJTSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001754874722 1440706470 /nfs/dbraw/zinc/70/64/70/1440706470.db2.gz LBIVGOSUPXQBEY-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001754919111 1440709121 /nfs/dbraw/zinc/70/91/21/1440709121.db2.gz MHUSJRGKMDNEQZ-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCC1 ZINC001754985305 1440722529 /nfs/dbraw/zinc/72/25/29/1440722529.db2.gz NRXILHJWSSTDBK-IBGZPJMESA-N 2 1 347.547 3.378 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001755031548 1440731821 /nfs/dbraw/zinc/73/18/21/1440731821.db2.gz UNJDCDUWIMVCOL-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001755031548 1440731822 /nfs/dbraw/zinc/73/18/22/1440731822.db2.gz UNJDCDUWIMVCOL-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001755031548 1440731823 /nfs/dbraw/zinc/73/18/23/1440731823.db2.gz UNJDCDUWIMVCOL-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCCCCC2CC[NH+](CC)CC2)CC[N@H+]1C ZINC001755074146 1440747844 /nfs/dbraw/zinc/74/78/44/1440747844.db2.gz PZZCTFHFFWNILT-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001755114187 1440754668 /nfs/dbraw/zinc/75/46/68/1440754668.db2.gz MATIFXKEAHBTJX-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]CCCC(C)(C)C)CC2)C1 ZINC001755135564 1440758069 /nfs/dbraw/zinc/75/80/69/1440758069.db2.gz VADQWCIWGGVLKW-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](CCC(C)(C)C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001755195172 1440776421 /nfs/dbraw/zinc/77/64/21/1440776421.db2.gz KQTSJVYHTBVTKK-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCC(C)(C)C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001755195172 1440776422 /nfs/dbraw/zinc/77/64/22/1440776422.db2.gz KQTSJVYHTBVTKK-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCC(C)(C)C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001755195172 1440776423 /nfs/dbraw/zinc/77/64/23/1440776423.db2.gz KQTSJVYHTBVTKK-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001755201055 1440779623 /nfs/dbraw/zinc/77/96/23/1440779623.db2.gz OYXKTEHJPXROSJ-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC001755413212 1440847254 /nfs/dbraw/zinc/84/72/54/1440847254.db2.gz VGUXTLGCWVFQCX-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC001755413212 1440847255 /nfs/dbraw/zinc/84/72/55/1440847255.db2.gz VGUXTLGCWVFQCX-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC001755413212 1440847256 /nfs/dbraw/zinc/84/72/56/1440847256.db2.gz VGUXTLGCWVFQCX-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001755414021 1440847919 /nfs/dbraw/zinc/84/79/19/1440847919.db2.gz NYCCXIOFFPABDX-ZWKOTPCHSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001755513723 1440863821 /nfs/dbraw/zinc/86/38/21/1440863821.db2.gz UCVCGEVXGOMJJB-HKUYNNGSSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](C)CCC(C)(C)C)CC1 ZINC001755529625 1440866726 /nfs/dbraw/zinc/86/67/26/1440866726.db2.gz BMMQCJXMVVUMLE-GOSISDBHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CCC(C)(C)C)CC1 ZINC001755529625 1440866727 /nfs/dbraw/zinc/86/67/27/1440866727.db2.gz BMMQCJXMVVUMLE-GOSISDBHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CCC(C)(C)C)CC1 ZINC001755529625 1440866728 /nfs/dbraw/zinc/86/67/28/1440866728.db2.gz BMMQCJXMVVUMLE-GOSISDBHSA-N 2 1 337.552 3.218 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001755535507 1440869308 /nfs/dbraw/zinc/86/93/08/1440869308.db2.gz KPFABFNSFRLRKZ-GOSISDBHSA-N 2 1 345.531 3.402 20 0 EGADMP CC(C)[C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)[NH2+]C/C=C\Cl ZINC001755551279 1440872093 /nfs/dbraw/zinc/87/20/93/1440872093.db2.gz UTFWMRHYKXTILD-XKJZPFPASA-N 2 1 343.943 3.122 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCCC2CCC2)CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001755687007 1440896024 /nfs/dbraw/zinc/89/60/24/1440896024.db2.gz RSBRZLUVAQKRNT-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001755701550 1440900429 /nfs/dbraw/zinc/90/04/29/1440900429.db2.gz QBHPZJGVRRJSFD-HFSMHLIXSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1CC1CCC(C)(C)CC1 ZINC001755720350 1440906988 /nfs/dbraw/zinc/90/69/88/1440906988.db2.gz DUODFSIRXRJLMB-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)c1 ZINC001755720116 1440907146 /nfs/dbraw/zinc/90/71/46/1440907146.db2.gz CPYFDQMPYPJXGG-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001755862675 1440937078 /nfs/dbraw/zinc/93/70/78/1440937078.db2.gz UBWLVOILBNSRPD-SBDAGSLNSA-N 2 1 335.536 3.185 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC=C(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001755896739 1440942873 /nfs/dbraw/zinc/94/28/73/1440942873.db2.gz BYHUQVACUXYTTR-IBGZPJMESA-N 2 1 349.563 3.149 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368532415 168368903 /nfs/dbraw/zinc/36/89/03/168368903.db2.gz YQMRQKGGKAWUAM-GHTZIAJQSA-N 2 1 345.531 3.135 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(CO)o2)cc1 ZINC000174270673 231162794 /nfs/dbraw/zinc/16/27/94/231162794.db2.gz GDSNAAHHUDKGLU-INIZCTEOSA-N 2 1 328.456 3.436 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000178699938 232391102 /nfs/dbraw/zinc/39/11/02/232391102.db2.gz PWPNRYUFWFNYHH-LSDHHAIUSA-N 2 1 329.444 3.167 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000187089001 236115243 /nfs/dbraw/zinc/11/52/43/236115243.db2.gz LSCFZRIUJKDXJZ-UHFFFAOYSA-N 2 1 327.472 3.435 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000351853938 296025449 /nfs/dbraw/zinc/02/54/49/296025449.db2.gz PSILTWKXJVARNK-IAGOWNOFSA-N 2 1 335.536 3.150 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000351853938 296025450 /nfs/dbraw/zinc/02/54/50/296025450.db2.gz PSILTWKXJVARNK-IAGOWNOFSA-N 2 1 335.536 3.150 20 0 EGADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000365457516 296103646 /nfs/dbraw/zinc/10/36/46/296103646.db2.gz CMIQNIMDVFJIBX-UYAOXDASSA-N 2 1 347.547 3.118 20 0 EGADMP Cc1nccn1CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377337846 169012377 /nfs/dbraw/zinc/01/23/77/169012377.db2.gz QNMJBWDYZYNRPO-SFTDATJTSA-N 2 1 338.499 3.036 20 0 EGADMP Cc1nccn1CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377337846 169012378 /nfs/dbraw/zinc/01/23/78/169012378.db2.gz QNMJBWDYZYNRPO-SFTDATJTSA-N 2 1 338.499 3.036 20 0 EGADMP Cc1nccn1CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377337846 169012380 /nfs/dbraw/zinc/01/23/80/169012380.db2.gz QNMJBWDYZYNRPO-SFTDATJTSA-N 2 1 338.499 3.036 20 0 EGADMP C[C@H](CCc1cccc(F)c1)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377631853 169051840 /nfs/dbraw/zinc/05/18/40/169051840.db2.gz RRSBHEHUPQVXSN-UTKZUKDTSA-N 2 1 347.522 3.247 20 0 EGADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000378429893 169119074 /nfs/dbraw/zinc/11/90/74/169119074.db2.gz LPUIAFHVAFOJNZ-MPGHIAIKSA-N 2 1 329.444 3.447 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237343673 296314226 /nfs/dbraw/zinc/31/42/26/296314226.db2.gz BZGGJRBUNWLRQW-MBOZVWFJSA-N 2 1 343.515 3.195 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000268824879 252273857 /nfs/dbraw/zinc/27/38/57/252273857.db2.gz QKQHNOXDMWXOIO-SNVBAGLBSA-N 2 1 326.213 3.444 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000268839302 252287130 /nfs/dbraw/zinc/28/71/30/252287130.db2.gz HRUPHCSLIPRLPA-UHFFFAOYSA-N 2 1 334.414 3.118 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268852114 252299445 /nfs/dbraw/zinc/29/94/45/252299445.db2.gz HJJZAEKJNFSOMD-NQIIRXRSSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268852114 252299449 /nfs/dbraw/zinc/29/94/49/252299449.db2.gz HJJZAEKJNFSOMD-NQIIRXRSSA-N 3 1 329.532 3.361 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118841823 221194866 /nfs/dbraw/zinc/19/48/66/221194866.db2.gz BGYDKRHABWQJJK-HNNXBMFYSA-N 2 1 335.517 3.011 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118841823 221194868 /nfs/dbraw/zinc/19/48/68/221194868.db2.gz BGYDKRHABWQJJK-HNNXBMFYSA-N 2 1 335.517 3.011 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841823 221194872 /nfs/dbraw/zinc/19/48/72/221194872.db2.gz BGYDKRHABWQJJK-HNNXBMFYSA-N 2 1 335.517 3.011 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCO[C@@H]2CCOC2)cc1 ZINC000119109019 221246655 /nfs/dbraw/zinc/24/66/55/221246655.db2.gz MZKDIHXLJBPQFR-HNAYVOBHSA-N 2 1 329.444 3.027 20 0 EGADMP CSCC[C@H]([NH3+])C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000165343889 533648267 /nfs/dbraw/zinc/64/82/67/533648267.db2.gz DNDRCXIHMSDWPM-INIZCTEOSA-N 2 1 346.500 3.074 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@]3(C)CCCC[NH2+]3)cc2)C1 ZINC000237479156 141004214 /nfs/dbraw/zinc/00/42/14/141004214.db2.gz AOEKUMVNKFQYOF-OXQOHEQNSA-N 2 1 329.488 3.389 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc2)C1 ZINC000237522449 141005819 /nfs/dbraw/zinc/00/58/19/141005819.db2.gz LRSDQYLRSPBZAT-JTDSTZFVSA-N 2 1 345.531 3.154 20 0 EGADMP C[C@H](CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)C1CC[NH2+]CC1 ZINC000237557642 141007729 /nfs/dbraw/zinc/00/77/29/141007729.db2.gz ZUJWIPPSXQNVOI-CEXWTWQISA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cnn(Cc2ccccc2)c1 ZINC000246858281 141039893 /nfs/dbraw/zinc/03/98/93/141039893.db2.gz CJQXKJIKEBPTLQ-FFZOFVMBSA-N 2 1 326.488 3.455 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OCCCOC)[C@@H](C)C1 ZINC000246897699 141042082 /nfs/dbraw/zinc/04/20/82/141042082.db2.gz FBHUFZCVAKWSES-HKUYNNGSSA-N 2 1 334.504 3.230 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OCCCOC)[C@@H](C)C1 ZINC000246897699 141042083 /nfs/dbraw/zinc/04/20/83/141042083.db2.gz FBHUFZCVAKWSES-HKUYNNGSSA-N 2 1 334.504 3.230 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000352966584 141279356 /nfs/dbraw/zinc/27/93/56/141279356.db2.gz JQVQEIKXHNSGDN-TUKIKUTGSA-N 2 1 344.425 3.340 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000352966584 141279358 /nfs/dbraw/zinc/27/93/58/141279358.db2.gz JQVQEIKXHNSGDN-TUKIKUTGSA-N 2 1 344.425 3.340 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000353335393 141289560 /nfs/dbraw/zinc/28/95/60/141289560.db2.gz IAMOPHQLVUDDBX-APWZRJJASA-N 2 1 347.503 3.185 20 0 EGADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000178427055 144071492 /nfs/dbraw/zinc/07/14/92/144071492.db2.gz NBYVWOQILKSRKK-AWEZNQCLSA-N 2 1 326.469 3.485 20 0 EGADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000178427055 144071493 /nfs/dbraw/zinc/07/14/93/144071493.db2.gz NBYVWOQILKSRKK-AWEZNQCLSA-N 2 1 326.469 3.485 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000178701275 144074987 /nfs/dbraw/zinc/07/49/87/144074987.db2.gz OQJYKTFEIDYEPH-QKLQHJQFSA-N 3 1 332.536 3.460 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCOc1ccccc1C(F)(F)F ZINC000185190590 144106666 /nfs/dbraw/zinc/10/66/66/144106666.db2.gz IJDOLWBVDFCTPY-UHFFFAOYSA-N 2 1 339.361 3.335 20 0 EGADMP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1(C)C ZINC000185190109 144106671 /nfs/dbraw/zinc/10/66/71/144106671.db2.gz SOHZHGMVTPGGQD-WOJBJXKFSA-N 2 1 346.515 3.201 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000185510010 144113961 /nfs/dbraw/zinc/11/39/61/144113961.db2.gz LVWFNMHCTZKUFI-JCYILVPMSA-N 2 1 347.469 3.067 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000363788860 144367294 /nfs/dbraw/zinc/36/72/94/144367294.db2.gz YKXQMGOSQFGPHH-IDZYALCFSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000363788860 144367296 /nfs/dbraw/zinc/36/72/96/144367296.db2.gz YKXQMGOSQFGPHH-IDZYALCFSA-N 2 1 336.479 3.145 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000341391978 155265452 /nfs/dbraw/zinc/26/54/52/155265452.db2.gz JWKGDXPQNRAAQM-PXNSSMCTSA-N 2 1 343.515 3.203 20 0 EGADMP CC(C)CCn1cccc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000119328332 152195176 /nfs/dbraw/zinc/19/51/76/152195176.db2.gz WLEGEENZJXANTH-GOSISDBHSA-N 2 1 333.520 3.125 20 0 EGADMP Cc1cc2cc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)oc2cc1C ZINC000119529904 152210765 /nfs/dbraw/zinc/21/07/65/152210765.db2.gz MUTAMIFPEMJYQY-UHFFFAOYSA-N 2 1 341.499 3.263 20 0 EGADMP CCOc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1OC ZINC000121803946 152372231 /nfs/dbraw/zinc/37/22/31/152372231.db2.gz ONAWOALDSYHLJC-UHFFFAOYSA-N 2 1 343.471 3.282 20 0 EGADMP C[NH+]1CCC([NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000188594889 153023427 /nfs/dbraw/zinc/02/34/27/153023427.db2.gz XZVIGEGCQIJHLQ-UHFFFAOYSA-N 2 1 345.487 3.121 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](CNCc2nccn2-c2ccccc2)C1 ZINC000191452398 153198414 /nfs/dbraw/zinc/19/84/14/153198414.db2.gz JFJZRPZKPBSGIO-GOSISDBHSA-N 2 1 326.488 3.330 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](CNCc2nccn2-c2ccccc2)C1 ZINC000191452413 153198712 /nfs/dbraw/zinc/19/87/12/153198712.db2.gz JFJZRPZKPBSGIO-SFHVURJKSA-N 2 1 326.488 3.330 20 0 EGADMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000236972371 153483470 /nfs/dbraw/zinc/48/34/70/153483470.db2.gz FZZJNUHSKKGQKT-NRFANRHFSA-N 2 1 329.532 3.363 20 0 EGADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000310103379 154139186 /nfs/dbraw/zinc/13/91/86/154139186.db2.gz YWUCPJIMLIOSSJ-BBWFWOEESA-N 2 1 342.405 3.208 20 0 EGADMP OC1(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCCC1 ZINC000310180854 154141797 /nfs/dbraw/zinc/14/17/97/154141797.db2.gz WHRGUMDAWFSPST-UHFFFAOYSA-N 2 1 328.500 3.280 20 0 EGADMP CCOC(=O)[C@H](CC)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000310815811 154143916 /nfs/dbraw/zinc/14/39/16/154143916.db2.gz AVJVPWNRKFWCPI-IBGZPJMESA-N 2 1 344.499 3.316 20 0 EGADMP Clc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1OCCCO2 ZINC000322926996 154169786 /nfs/dbraw/zinc/16/97/86/154169786.db2.gz NKUXQEBETPYTPN-HUUCEWRRSA-N 2 1 336.863 3.218 20 0 EGADMP Clc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCCCO2 ZINC000322926996 154169789 /nfs/dbraw/zinc/16/97/89/154169789.db2.gz NKUXQEBETPYTPN-HUUCEWRRSA-N 2 1 336.863 3.218 20 0 EGADMP c1cncc([C@H]2CCC[C@H]([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)c1 ZINC000337348682 154299557 /nfs/dbraw/zinc/29/95/57/154299557.db2.gz ZGPVZEXUSWYHDT-ICSRJNTNSA-N 2 1 343.515 3.342 20 0 EGADMP COc1ccc(C[N@H+](CC[C@H]2CCC[NH+]2C)CC2CC2)c(OC)c1 ZINC000337440204 154354009 /nfs/dbraw/zinc/35/40/09/154354009.db2.gz JHASYIQQYDABOZ-GOSISDBHSA-N 2 1 332.488 3.400 20 0 EGADMP COc1ccc(C[N@@H+](CC[C@H]2CCC[NH+]2C)CC2CC2)c(OC)c1 ZINC000337440204 154354012 /nfs/dbraw/zinc/35/40/12/154354012.db2.gz JHASYIQQYDABOZ-GOSISDBHSA-N 2 1 332.488 3.400 20 0 EGADMP COc1ccc(C[NH+](CC[C@H]2CCC[N@@H+]2C)CC2CC2)c(OC)c1 ZINC000337440204 154354016 /nfs/dbraw/zinc/35/40/16/154354016.db2.gz JHASYIQQYDABOZ-GOSISDBHSA-N 2 1 332.488 3.400 20 0 EGADMP COc1ccc(C[NH+](CC[C@H]2CCC[N@H+]2C)CC2CC2)c(OC)c1 ZINC000337440204 154354021 /nfs/dbraw/zinc/35/40/21/154354021.db2.gz JHASYIQQYDABOZ-GOSISDBHSA-N 2 1 332.488 3.400 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C[C@@H]12 ZINC000346828918 156155454 /nfs/dbraw/zinc/15/54/54/156155454.db2.gz NQUGMRQRMIUMHF-QXAKKESOSA-N 2 1 332.451 3.195 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C[C@H]21 ZINC000346845184 156160978 /nfs/dbraw/zinc/16/09/78/156160978.db2.gz ZSXDEFACSRYTKP-BMGDILEWSA-N 2 1 330.863 3.085 20 0 EGADMP CCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000346864685 156171056 /nfs/dbraw/zinc/17/10/56/156171056.db2.gz YXMZATCYESOCJR-OFQRWUPVSA-N 2 1 338.879 3.307 20 0 EGADMP CCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000346864685 156171057 /nfs/dbraw/zinc/17/10/57/156171057.db2.gz YXMZATCYESOCJR-OFQRWUPVSA-N 2 1 338.879 3.307 20 0 EGADMP CN(CC[N@@H+](C)CC1CCC(C(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000349035028 156324289 /nfs/dbraw/zinc/32/42/89/156324289.db2.gz PANDZIKFOBBABI-UHFFFAOYSA-N 2 1 349.485 3.313 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000349056776 156337634 /nfs/dbraw/zinc/33/76/34/156337634.db2.gz LVWXJRQXXYYXIH-PMACEKPBSA-N 2 1 343.515 3.123 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)n2)cc1O ZINC000362084081 157013838 /nfs/dbraw/zinc/01/38/38/157013838.db2.gz AGFLEIRZQCGNOG-INIZCTEOSA-N 2 1 327.428 3.181 20 0 EGADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)n2)cc1 ZINC000362085812 157014977 /nfs/dbraw/zinc/01/49/77/157014977.db2.gz IYDIENXQRBDUOK-IBGZPJMESA-N 2 1 338.455 3.425 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000362103840 157023904 /nfs/dbraw/zinc/02/39/04/157023904.db2.gz VRWHTYNAGOAXIZ-LJQANCHMSA-N 2 1 338.455 3.030 20 0 EGADMP CCCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000365445587 157126938 /nfs/dbraw/zinc/12/69/38/157126938.db2.gz WPDLAWYAKORGLB-LJQANCHMSA-N 2 1 335.536 3.164 20 0 EGADMP Clc1ccc2cccnc2c1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129387720 162355494 /nfs/dbraw/zinc/35/54/94/162355494.db2.gz ILEPCNGCSQQQTA-HNNXBMFYSA-N 2 1 345.874 3.042 20 0 EGADMP CC(C)[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[NH+](C)C ZINC000130488387 162370441 /nfs/dbraw/zinc/37/04/41/162370441.db2.gz WALHRJXKPBDOBU-LPHOPBHVSA-N 2 1 331.504 3.443 20 0 EGADMP COC(=O)c1ccc(F)c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000248408558 163001734 /nfs/dbraw/zinc/00/17/34/163001734.db2.gz VPWCEZWYPNDWKN-KXBFYZLASA-N 2 1 346.446 3.061 20 0 EGADMP COc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248456143 163007067 /nfs/dbraw/zinc/00/70/67/163007067.db2.gz SAPHORNLOOKWMK-VQIMIIECSA-N 2 1 340.467 3.113 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)OC(C)C ZINC000248634717 163023801 /nfs/dbraw/zinc/02/38/01/163023801.db2.gz JTMRTZNPUURZEP-UWVAXJGDSA-N 2 1 332.488 3.378 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)OC(C)C ZINC000248634717 163023803 /nfs/dbraw/zinc/02/38/03/163023803.db2.gz JTMRTZNPUURZEP-UWVAXJGDSA-N 2 1 332.488 3.378 20 0 EGADMP Cc1cncc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000248700856 163029193 /nfs/dbraw/zinc/02/91/93/163029193.db2.gz GARDEFKBVJJMGF-ROUUACIJSA-N 2 1 339.483 3.462 20 0 EGADMP Cc1cncc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000248700856 163029196 /nfs/dbraw/zinc/02/91/96/163029196.db2.gz GARDEFKBVJJMGF-ROUUACIJSA-N 2 1 339.483 3.462 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2C[C@@H]4OCCC[C@H]24)C3)cc1 ZINC000248763270 163032833 /nfs/dbraw/zinc/03/28/33/163032833.db2.gz DYDOFXQXTQPGHK-RLLAOZKESA-N 2 1 326.484 3.339 20 0 EGADMP COc1ccc(Cl)cc1N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000249058318 163053047 /nfs/dbraw/zinc/05/30/47/163053047.db2.gz ZFHXPNGSBPZLSG-XYTVBORESA-N 2 1 349.906 3.142 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000249154312 163059566 /nfs/dbraw/zinc/05/95/66/163059566.db2.gz WCNXCDILGJDYEJ-ZHALLVOQSA-N 2 1 341.503 3.242 20 0 EGADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccsc1 ZINC000305166668 163075942 /nfs/dbraw/zinc/07/59/42/163075942.db2.gz YQUJOBGDXTYBJS-LJQANCHMSA-N 2 1 348.487 3.217 20 0 EGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCCC(C)(C)C)CC2)C[C@H](C)O1 ZINC000337192309 163157839 /nfs/dbraw/zinc/15/78/39/163157839.db2.gz UNWIKKHPZYDODX-HDICACEKSA-N 2 1 340.552 3.403 20 0 EGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCCC(C)(C)C)CC2)C[C@H](C)O1 ZINC000337192309 163157840 /nfs/dbraw/zinc/15/78/40/163157840.db2.gz UNWIKKHPZYDODX-HDICACEKSA-N 2 1 340.552 3.403 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccc(C)nc2)[C@@H](C)C1 ZINC000354334347 166005251 /nfs/dbraw/zinc/00/52/51/166005251.db2.gz MULZMEXSWVBVAG-PXNSSMCTSA-N 2 1 333.520 3.049 20 0 EGADMP CC(C)[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(F)cn1 ZINC000343935781 164069713 /nfs/dbraw/zinc/06/97/13/164069713.db2.gz OUYNCRVJBIMIHB-LJQANCHMSA-N 2 1 346.450 3.043 20 0 EGADMP CCCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000343999188 164079508 /nfs/dbraw/zinc/07/95/08/164079508.db2.gz FJYPQLJYXYHEDC-RTBURBONSA-N 2 1 331.504 3.095 20 0 EGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344031851 164087061 /nfs/dbraw/zinc/08/70/61/164087061.db2.gz DCINZIQEFOVZQG-AWEZNQCLSA-N 2 1 329.891 3.355 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)NC(C)(C)C ZINC000249761867 287041005 /nfs/dbraw/zinc/04/10/05/287041005.db2.gz NHZGFLJWRVSLNJ-IAGOWNOFSA-N 2 1 345.531 3.311 20 0 EGADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000344316455 164154742 /nfs/dbraw/zinc/15/47/42/164154742.db2.gz ZYRFNGGAYJTTRZ-INIZCTEOSA-N 2 1 344.503 3.473 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2[C@H](C)C[NH+](CC)C[C@H]2C)cc1)C(C)C ZINC000344419599 164174245 /nfs/dbraw/zinc/17/42/45/164174245.db2.gz GKUBXIXELPUQPJ-QZTJIDSGSA-N 2 1 345.531 3.472 20 0 EGADMP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCCCC1 ZINC000345749510 164257913 /nfs/dbraw/zinc/25/79/13/164257913.db2.gz LDCZUUPFSNCSDR-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1=CCCCC1 ZINC000354847586 166047109 /nfs/dbraw/zinc/04/71/09/166047109.db2.gz JFQOIRKGPITFLI-UHFFFAOYSA-N 2 1 347.547 3.142 20 0 EGADMP FC(F)COCCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000346492857 164386116 /nfs/dbraw/zinc/38/61/16/164386116.db2.gz MANXQHZSNLYSMC-IBGZPJMESA-N 2 1 338.442 3.256 20 0 EGADMP FC(F)COCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000346492857 164386117 /nfs/dbraw/zinc/38/61/17/164386117.db2.gz MANXQHZSNLYSMC-IBGZPJMESA-N 2 1 338.442 3.256 20 0 EGADMP FC(F)COCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000346492857 164386120 /nfs/dbraw/zinc/38/61/20/164386120.db2.gz MANXQHZSNLYSMC-IBGZPJMESA-N 2 1 338.442 3.256 20 0 EGADMP FC(F)COCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000346492857 164386122 /nfs/dbraw/zinc/38/61/22/164386122.db2.gz MANXQHZSNLYSMC-IBGZPJMESA-N 2 1 338.442 3.256 20 0 EGADMP FC(F)COCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000346492857 164386124 /nfs/dbraw/zinc/38/61/24/164386124.db2.gz MANXQHZSNLYSMC-IBGZPJMESA-N 2 1 338.442 3.256 20 0 EGADMP C[N@@H+](CCOc1ccccc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354865387 166051116 /nfs/dbraw/zinc/05/11/16/166051116.db2.gz XCOHFFWGRCEVFZ-UHFFFAOYSA-N 2 1 343.446 3.448 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000350328045 165032089 /nfs/dbraw/zinc/03/20/89/165032089.db2.gz MDKYZTALJSAMTR-KRWDZBQOSA-N 2 1 349.500 3.336 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000350328045 165032090 /nfs/dbraw/zinc/03/20/90/165032090.db2.gz MDKYZTALJSAMTR-KRWDZBQOSA-N 2 1 349.500 3.336 20 0 EGADMP CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350922547 165081878 /nfs/dbraw/zinc/08/18/78/165081878.db2.gz VEUWEZKGLIYEJY-CQSZACIVSA-N 2 1 335.517 3.009 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000352040396 165205026 /nfs/dbraw/zinc/20/50/26/165205026.db2.gz OWQLEPMZSCASFP-NEWSRXKRSA-N 2 1 331.504 3.105 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000357843613 166790405 /nfs/dbraw/zinc/79/04/05/166790405.db2.gz DIEUWTJDICXSMH-ZDUSSCGKSA-N 2 1 346.393 3.347 20 0 EGADMP c1c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000359280879 167114324 /nfs/dbraw/zinc/11/43/24/167114324.db2.gz QNQSKTDJWABGLI-RTBURBONSA-N 2 1 344.462 3.191 20 0 EGADMP COC[C@H](CC(C)C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000359661996 167204496 /nfs/dbraw/zinc/20/44/96/167204496.db2.gz PZZDOJZRPABBBD-UEXGIBASSA-N 2 1 348.531 3.447 20 0 EGADMP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360571056 167360875 /nfs/dbraw/zinc/36/08/75/167360875.db2.gz UAFMCXUWLQRBFP-OAQYLSRUSA-N 2 1 332.451 3.187 20 0 EGADMP c1ccc(-c2nc3ccccn3c2C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360571056 167360876 /nfs/dbraw/zinc/36/08/76/167360876.db2.gz UAFMCXUWLQRBFP-OAQYLSRUSA-N 2 1 332.451 3.187 20 0 EGADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000360587814 167364494 /nfs/dbraw/zinc/36/44/94/167364494.db2.gz DDNFGTQSYPPASD-RDTXWAMCSA-N 2 1 329.419 3.443 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000360587814 167364495 /nfs/dbraw/zinc/36/44/95/167364495.db2.gz DDNFGTQSYPPASD-RDTXWAMCSA-N 2 1 329.419 3.443 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000360587814 167364499 /nfs/dbraw/zinc/36/44/99/167364499.db2.gz DDNFGTQSYPPASD-RDTXWAMCSA-N 2 1 329.419 3.443 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](C)C2)CC1 ZINC000360720242 167397299 /nfs/dbraw/zinc/39/72/99/167397299.db2.gz XZXIECSSQIHKPD-WIYYLYMNSA-N 2 1 329.532 3.492 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000367058499 168174124 /nfs/dbraw/zinc/17/41/24/168174124.db2.gz ULBXMEXIIUFJMI-TZIWHRDSSA-N 2 1 344.547 3.115 20 0 EGADMP Clc1ccc2c(c1)C[C@@H]([NH2+]CC1([NH+]3CCCCC3)CCOCC1)C2 ZINC000367402854 168221194 /nfs/dbraw/zinc/22/11/94/168221194.db2.gz MGAIZZGOTRBFQR-IBGZPJMESA-N 2 1 348.918 3.432 20 0 EGADMP C[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367618399 168250236 /nfs/dbraw/zinc/25/02/36/168250236.db2.gz PIKVNCCYWSKJAG-CQSZACIVSA-N 2 1 327.925 3.002 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)CC[N@H+]1C ZINC000159271977 225184489 /nfs/dbraw/zinc/18/44/89/225184489.db2.gz WDWYYRAJZJADEX-WMLDXEAASA-N 2 1 327.428 3.104 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)CO[C@@H]2CCOC2)cc1 ZINC000166464755 226159832 /nfs/dbraw/zinc/15/98/32/226159832.db2.gz OKUROIQLZXJHJD-YZVOILCLSA-N 2 1 329.444 3.025 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000122455132 222091668 /nfs/dbraw/zinc/09/16/68/222091668.db2.gz IHKNWSJFQVNVNR-SPYBWZPUSA-N 2 1 329.488 3.244 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000122455132 222091671 /nfs/dbraw/zinc/09/16/71/222091671.db2.gz IHKNWSJFQVNVNR-SPYBWZPUSA-N 2 1 329.488 3.244 20 0 EGADMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2ccc(OC(F)(F)F)cc2)CCN1C ZINC000174173424 265029778 /nfs/dbraw/zinc/02/97/78/265029778.db2.gz JUSXRUKGYZQUSM-KBPBESRZSA-N 2 1 346.393 3.379 20 0 EGADMP C[C@H]1C[C@@H]([NH+](C)CCOc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000174173424 265029783 /nfs/dbraw/zinc/02/97/83/265029783.db2.gz JUSXRUKGYZQUSM-KBPBESRZSA-N 2 1 346.393 3.379 20 0 EGADMP C[C@H]1C[C@@H]([NH+](C)CCOc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000174173424 265029786 /nfs/dbraw/zinc/02/97/86/265029786.db2.gz JUSXRUKGYZQUSM-KBPBESRZSA-N 2 1 346.393 3.379 20 0 EGADMP Cc1nccn1CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272653808 266890338 /nfs/dbraw/zinc/89/03/38/266890338.db2.gz GHUYVYPEYQIHCD-PWRODBHTSA-N 2 1 338.499 3.082 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272653808 266890340 /nfs/dbraw/zinc/89/03/40/266890340.db2.gz GHUYVYPEYQIHCD-PWRODBHTSA-N 3 1 338.499 3.082 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272653808 266890342 /nfs/dbraw/zinc/89/03/42/266890342.db2.gz GHUYVYPEYQIHCD-PWRODBHTSA-N 3 1 338.499 3.082 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273258288 267008082 /nfs/dbraw/zinc/00/80/82/267008082.db2.gz SRYJJGNHCZLOGN-MJGOQNOKSA-N 2 1 345.531 3.134 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000273258156 267008150 /nfs/dbraw/zinc/00/81/50/267008150.db2.gz SOYUUIAXHRNVAF-CYBMUJFWSA-N 2 1 346.450 3.103 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000273266392 267009125 /nfs/dbraw/zinc/00/91/25/267009125.db2.gz ULTKTTWEMSXYGR-ZHALLVOQSA-N 2 1 345.531 3.180 20 0 EGADMP c1c[nH]c([C@@H]2CCC[N@H+](Cc3nnc(-c4ccccc4)s3)C2)n1 ZINC000274316521 267215828 /nfs/dbraw/zinc/21/58/28/267215828.db2.gz NWLDDRUAXNNJJY-CQSZACIVSA-N 2 1 325.441 3.308 20 0 EGADMP COc1ncccc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274935644 267309054 /nfs/dbraw/zinc/30/90/54/267309054.db2.gz RYUVXGOONMXGTP-LPHOPBHVSA-N 2 1 325.456 3.090 20 0 EGADMP COc1ncccc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274935644 267309055 /nfs/dbraw/zinc/30/90/55/267309055.db2.gz RYUVXGOONMXGTP-LPHOPBHVSA-N 2 1 325.456 3.090 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275556015 267380048 /nfs/dbraw/zinc/38/00/48/267380048.db2.gz NQFSZVUTDVTPDY-JKSUJKDBSA-N 2 1 340.471 3.015 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275556005 267380090 /nfs/dbraw/zinc/38/00/90/267380090.db2.gz NQFSZVUTDVTPDY-HOTGVXAUSA-N 2 1 340.471 3.015 20 0 EGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000278513657 268030239 /nfs/dbraw/zinc/03/02/39/268030239.db2.gz FHEBFMMLXIVCOS-KRWDZBQOSA-N 2 1 345.487 3.024 20 0 EGADMP COc1cccc2c(N3C[C@@H](SC)[C@H]([NH+](C)C)C3)cc(C)[nH+]c12 ZINC000340743323 274150495 /nfs/dbraw/zinc/15/04/95/274150495.db2.gz MADWFWLRTOLPNO-NVXWUHKLSA-N 2 1 331.485 3.034 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H]3CCCC34CCOCC4)CC2)nc(C)[nH+]1 ZINC000368519117 274703883 /nfs/dbraw/zinc/70/38/83/274703883.db2.gz OXTNZKXCWWKROL-SFHVURJKSA-N 2 1 344.503 3.001 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000104144534 275164011 /nfs/dbraw/zinc/16/40/11/275164011.db2.gz ACHMZFSPHCUJCO-IBGZPJMESA-N 2 1 331.504 3.017 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000104144534 275164012 /nfs/dbraw/zinc/16/40/12/275164012.db2.gz ACHMZFSPHCUJCO-IBGZPJMESA-N 2 1 331.504 3.017 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000104144534 275164013 /nfs/dbraw/zinc/16/40/13/275164013.db2.gz ACHMZFSPHCUJCO-IBGZPJMESA-N 2 1 331.504 3.017 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000286990823 276067584 /nfs/dbraw/zinc/06/75/84/276067584.db2.gz JQBYRJNJYWVLSF-DZFGPLHGSA-N 2 1 347.547 3.396 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(OC(C)C)cc2)N(C)C)[C@@H](C)C1 ZINC000286990823 276067586 /nfs/dbraw/zinc/06/75/86/276067586.db2.gz JQBYRJNJYWVLSF-DZFGPLHGSA-N 2 1 347.547 3.396 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(OC(C)C)cc2)N(C)C)[C@@H](C)C1 ZINC000286990823 276067587 /nfs/dbraw/zinc/06/75/87/276067587.db2.gz JQBYRJNJYWVLSF-DZFGPLHGSA-N 2 1 347.547 3.396 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000246838289 276198672 /nfs/dbraw/zinc/19/86/72/276198672.db2.gz VCKDCLBONMALAE-BEFAXECRSA-N 2 1 333.907 3.039 20 0 EGADMP CCOC(=O)[C@@H](CC)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000310815814 276285170 /nfs/dbraw/zinc/28/51/70/276285170.db2.gz AVJVPWNRKFWCPI-LJQANCHMSA-N 2 1 344.499 3.316 20 0 EGADMP Cc1c[nH]nc1CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000289503988 276349232 /nfs/dbraw/zinc/34/92/32/276349232.db2.gz MIPAZPSAZNFPKL-UHFFFAOYSA-N 2 1 327.476 3.108 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1cccc2nccn21 ZINC000289539839 276355007 /nfs/dbraw/zinc/35/50/07/276355007.db2.gz WSXNFYPFAZORCC-LJQANCHMSA-N 2 1 349.482 3.216 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000374058534 279041854 /nfs/dbraw/zinc/04/18/54/279041854.db2.gz TWUDSOSBECAIFF-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP C[C@H](C(=O)N1CCCCC1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246104798 279189734 /nfs/dbraw/zinc/18/97/34/279189734.db2.gz WVLCJDLJOSBIAG-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCOc3ccccc32)C[C@H](C)O1 ZINC000162863140 288160525 /nfs/dbraw/zinc/16/05/25/288160525.db2.gz GTNHGVUJQHAUSV-ZIFCJYIRSA-N 2 1 332.488 3.379 20 0 EGADMP Cc1[nH+]c2ccccc2c(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1C ZINC000343247242 282074108 /nfs/dbraw/zinc/07/41/08/282074108.db2.gz GRCQUYALKNKNFZ-PBHICJAKSA-N 2 1 325.456 3.151 20 0 EGADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000181721357 288515815 /nfs/dbraw/zinc/51/58/15/288515815.db2.gz IFNVMZZWJPUIET-HZPDHXFCSA-N 2 1 329.488 3.282 20 0 EGADMP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261615102 290228044 /nfs/dbraw/zinc/22/80/44/290228044.db2.gz FPKNCEFOSOQPNH-OCCSQVGLSA-N 2 1 328.287 3.034 20 0 EGADMP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261615102 290228051 /nfs/dbraw/zinc/22/80/51/290228051.db2.gz FPKNCEFOSOQPNH-OCCSQVGLSA-N 2 1 328.287 3.034 20 0 EGADMP COc1cccc2cc([C@H](C)[NH2+]CCCC[N@H+]3CCC[C@@H]3CO)oc21 ZINC000181733952 295343762 /nfs/dbraw/zinc/34/37/62/295343762.db2.gz DGWPHUSAAPUKFV-DOTOQJQBSA-N 2 1 346.471 3.329 20 0 EGADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1ccc(Cl)cc1 ZINC000072718560 307381723 /nfs/dbraw/zinc/38/17/23/307381723.db2.gz HDKKZTNOQYZYLN-INIZCTEOSA-N 2 1 349.906 3.476 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000414055376 309058141 /nfs/dbraw/zinc/05/81/41/309058141.db2.gz COBVJJKOWSJOKJ-QGZVFWFLSA-N 2 1 339.483 3.059 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cn1 ZINC000414055376 309058142 /nfs/dbraw/zinc/05/81/42/309058142.db2.gz COBVJJKOWSJOKJ-QGZVFWFLSA-N 2 1 339.483 3.059 20 0 EGADMP COC(=O)c1cnc([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)s1 ZINC000414060514 309058379 /nfs/dbraw/zinc/05/83/79/309058379.db2.gz AUMXCCIWIDGJGD-AWEZNQCLSA-N 2 1 339.505 3.092 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414124765 309062447 /nfs/dbraw/zinc/06/24/47/309062447.db2.gz CLNACVNBWPBFNJ-FXAWDEMLSA-N 2 1 339.483 3.133 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414173613 309064598 /nfs/dbraw/zinc/06/45/98/309064598.db2.gz FYUXOBAJHTTYIP-GOEBONIOSA-N 2 1 333.476 3.036 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)[C@@H](C)C1 ZINC000414179543 309065183 /nfs/dbraw/zinc/06/51/83/309065183.db2.gz KTCZBOCLAVLPFV-SMMRIJLZSA-N 2 1 334.479 3.408 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000414191431 309065857 /nfs/dbraw/zinc/06/58/57/309065857.db2.gz SMAFELWXZIKQMB-HZPDHXFCSA-N 2 1 344.503 3.353 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@H](O)C(C)C ZINC000414295319 309071078 /nfs/dbraw/zinc/07/10/78/309071078.db2.gz NPLDNQXXDFCZBV-XDWAVFMPSA-N 2 1 330.516 3.282 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000168109817 307931849 /nfs/dbraw/zinc/93/18/49/307931849.db2.gz OHPSKNQKRQCVFE-OAHLLOKOSA-N 2 1 338.455 3.079 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000248166496 308000135 /nfs/dbraw/zinc/00/01/35/308000135.db2.gz TUDMCRAJMUXREK-RDJZCZTQSA-N 2 1 334.504 3.301 20 0 EGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248424135 308003100 /nfs/dbraw/zinc/00/31/00/308003100.db2.gz HKHUYFGUXNNGFQ-IOMROCGXSA-N 2 1 328.500 3.335 20 0 EGADMP CC(C)(C)[C@H](CCO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248859217 308013473 /nfs/dbraw/zinc/01/34/73/308013473.db2.gz FQTJVTYERRLDQV-WTGUMLROSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(O)c1 ZINC000249512323 308025041 /nfs/dbraw/zinc/02/50/41/308025041.db2.gz ILZYFTKMVNXSPS-UZLBHIALSA-N 2 1 340.467 3.200 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000262663539 308065011 /nfs/dbraw/zinc/06/50/11/308065011.db2.gz HTDAKOWFQZINSI-KURKYZTESA-N 2 1 337.552 3.029 20 0 EGADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292881129 308075793 /nfs/dbraw/zinc/07/57/93/308075793.db2.gz DYAOCFKNHXNMAB-KDOFPFPSSA-N 2 1 335.879 3.085 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)Nc3ccccc3Cl)C2)C1 ZINC000292894856 308077190 /nfs/dbraw/zinc/07/71/90/308077190.db2.gz GDMKMSCBJUUCOB-GOSISDBHSA-N 2 1 335.879 3.086 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCCOC2=O)cc1 ZINC000293903380 308172462 /nfs/dbraw/zinc/17/24/62/308172462.db2.gz WOEMDOQCKXCCKP-SNRMKQJTSA-N 2 1 343.471 3.311 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N2CCCOC2=O)cc1 ZINC000293903380 308172463 /nfs/dbraw/zinc/17/24/63/308172463.db2.gz WOEMDOQCKXCCKP-SNRMKQJTSA-N 2 1 343.471 3.311 20 0 EGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000294724722 308250030 /nfs/dbraw/zinc/25/00/30/308250030.db2.gz CUVUHYRTOLSNPP-CCNLRDMRSA-N 2 1 329.488 3.235 20 0 EGADMP CSc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000295053625 308285782 /nfs/dbraw/zinc/28/57/82/308285782.db2.gz QMXICCLGONCIOW-LMMKCTJWSA-N 2 1 333.545 3.228 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c2nccn21 ZINC000295236881 308306151 /nfs/dbraw/zinc/30/61/51/308306151.db2.gz ONCQKMFZBJRMSG-YJBOKZPZSA-N 2 1 328.460 3.009 20 0 EGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](Cn2cccn2)C(C)C)CC1 ZINC000295938897 308376766 /nfs/dbraw/zinc/37/67/66/308376766.db2.gz KSZORLFMWVZCTB-OAQYLSRUSA-N 2 1 340.515 3.470 20 0 EGADMP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414697858 309095978 /nfs/dbraw/zinc/09/59/78/309095978.db2.gz CLCYVDCEMQZJNK-CEWLAPEOSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414697858 309095979 /nfs/dbraw/zinc/09/59/79/309095979.db2.gz CLCYVDCEMQZJNK-CEWLAPEOSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414697858 309095980 /nfs/dbraw/zinc/09/59/80/309095980.db2.gz CLCYVDCEMQZJNK-CEWLAPEOSA-N 3 1 329.532 3.219 20 0 EGADMP CC[N@H+](C[C@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414697858 309095981 /nfs/dbraw/zinc/09/59/81/309095981.db2.gz CLCYVDCEMQZJNK-CEWLAPEOSA-N 2 1 329.532 3.219 20 0 EGADMP CC[N@@H+](C[C@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414697858 309095982 /nfs/dbraw/zinc/09/59/82/309095982.db2.gz CLCYVDCEMQZJNK-CEWLAPEOSA-N 2 1 329.532 3.219 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)N1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000414701536 309096180 /nfs/dbraw/zinc/09/61/80/309096180.db2.gz ACMAYFZQMOBPRC-GOSISDBHSA-N 2 1 344.503 3.406 20 0 EGADMP COc1cccc(C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C2CCC(O)CC2)c1 ZINC000414746079 309098618 /nfs/dbraw/zinc/09/86/18/309098618.db2.gz LPLXTHIJIOWLKJ-OVZGMEQFSA-N 2 1 346.515 3.189 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c2nccn21 ZINC000297351977 308525244 /nfs/dbraw/zinc/52/52/44/308525244.db2.gz PDRXEAXUXXDGKT-HNAYVOBHSA-N 2 1 340.471 3.152 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1OC ZINC000414784960 309100979 /nfs/dbraw/zinc/10/09/79/309100979.db2.gz RVWYVYWFOFTTPJ-ZIAGYGMSSA-N 2 1 338.879 3.179 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccnn2C)c1 ZINC000414786189 309101149 /nfs/dbraw/zinc/10/11/49/309101149.db2.gz UGUXJOMKCXJIKJ-QZTJIDSGSA-N 2 1 338.499 3.217 20 0 EGADMP Brc1csc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414785259 309101206 /nfs/dbraw/zinc/10/12/06/309101206.db2.gz SGBLJZGYPKACRI-NEPJUHHUSA-N 2 1 329.307 3.332 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)ccc1OCc1cccs1 ZINC000414801584 309102368 /nfs/dbraw/zinc/10/23/68/309102368.db2.gz UMKZDNFUWQDUHV-MRXNPFEDSA-N 2 1 334.485 3.409 20 0 EGADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000414807517 309102892 /nfs/dbraw/zinc/10/28/92/309102892.db2.gz RDJYIGAAGPFJHB-PBHICJAKSA-N 2 1 331.485 3.329 20 0 EGADMP CC(C)([NH3+])C[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000414808443 309102905 /nfs/dbraw/zinc/10/29/05/309102905.db2.gz SVTYEESKMRPGLP-NSHDSACASA-N 2 1 344.299 3.386 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000414810720 309102960 /nfs/dbraw/zinc/10/29/60/309102960.db2.gz IJIGMEWJOGHTGI-KBPBESRZSA-N 2 1 325.884 3.473 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414814537 309103325 /nfs/dbraw/zinc/10/33/25/309103325.db2.gz NYRWDTVCLFUZEH-WMLDXEAASA-N 2 1 339.911 3.184 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000414814870 309103388 /nfs/dbraw/zinc/10/33/88/309103388.db2.gz OLBVDHJPMCFWJD-GXTWGEPZSA-N 2 1 341.883 3.173 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414814535 309103406 /nfs/dbraw/zinc/10/34/06/309103406.db2.gz NYRWDTVCLFUZEH-RHSMWYFYSA-N 2 1 339.911 3.184 20 0 EGADMP C[C@@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C)[C@H]1CCC[NH2+]C1 ZINC000414862946 309106203 /nfs/dbraw/zinc/10/62/03/309106203.db2.gz XSUWANKPOUMXQW-NEPJUHHUSA-N 2 1 340.393 3.070 20 0 EGADMP COc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1OCc1ccc(F)cc1 ZINC000414879096 309106806 /nfs/dbraw/zinc/10/68/06/309106806.db2.gz OZFKVMKWZSQPKF-UHFFFAOYSA-N 2 1 344.430 3.384 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CC[NH2+]1 ZINC000414944603 309110641 /nfs/dbraw/zinc/11/06/41/309110641.db2.gz HCPDMSLQISOYIE-SKDRFNHKSA-N 2 1 349.219 3.281 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[NH2+]1 ZINC000414948560 309110773 /nfs/dbraw/zinc/11/07/73/309110773.db2.gz MHZOHEXBCDKMDN-NVXWUHKLSA-N 2 1 326.488 3.400 20 0 EGADMP CC[C@@H]1C[C@H](C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CCO1 ZINC000414967491 309111962 /nfs/dbraw/zinc/11/19/62/309111962.db2.gz XJFFNAKSBSGBMO-ZIGSKRJUSA-N 2 1 338.442 3.205 20 0 EGADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415016763 309114512 /nfs/dbraw/zinc/11/45/12/309114512.db2.gz OSPASGIXPFMUFV-YUMQZZPRSA-N 2 1 341.171 3.173 20 0 EGADMP CCOc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc(Cl)c1OC ZINC000415039154 309115998 /nfs/dbraw/zinc/11/59/98/309115998.db2.gz IXSBQHZVZDBTFQ-HNNXBMFYSA-N 2 1 326.868 3.354 20 0 EGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)C1 ZINC000415118891 309121539 /nfs/dbraw/zinc/12/15/39/309121539.db2.gz DRIZSJBILKVGNA-DOTOQJQBSA-N 2 1 326.843 3.197 20 0 EGADMP Clc1ccc(Cl)c(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415133227 309122892 /nfs/dbraw/zinc/12/28/92/309122892.db2.gz BXPPLMZZPNRQPF-ZBFHGGJFSA-N 2 1 341.282 3.194 20 0 EGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000415139466 309123330 /nfs/dbraw/zinc/12/33/30/309123330.db2.gz ZSQVMEGMUXQTCX-IAGOWNOFSA-N 2 1 326.843 3.197 20 0 EGADMP c1nc(C2CCCC2)sc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415144678 309123532 /nfs/dbraw/zinc/12/35/32/309123532.db2.gz VSWZDLJWNAOZLO-SJORKVTESA-N 2 1 347.528 3.001 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cccc(C[NH2+]C)c2)c1 ZINC000415915377 309148277 /nfs/dbraw/zinc/14/82/77/309148277.db2.gz FAHGEWXQJXSPAU-UHFFFAOYSA-N 2 1 340.471 3.179 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000415927927 309149289 /nfs/dbraw/zinc/14/92/89/309149289.db2.gz DWASGMIBPCEHRF-HZPDHXFCSA-N 2 1 332.492 3.181 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000415935197 309149808 /nfs/dbraw/zinc/14/98/08/309149808.db2.gz RGDRCFGSLDSITR-QGZVFWFLSA-N 2 1 346.519 3.430 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415966631 309151780 /nfs/dbraw/zinc/15/17/80/309151780.db2.gz AOJHQCPNNJFYLD-UHFFFAOYSA-N 2 1 340.471 3.307 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415975213 309152349 /nfs/dbraw/zinc/15/23/49/309152349.db2.gz LWPPADXEVWJZLL-UHFFFAOYSA-N 2 1 340.471 3.177 20 0 EGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416160405 309161485 /nfs/dbraw/zinc/16/14/85/309161485.db2.gz XZUMRFUHVLBMJL-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP Cc1cc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n(C)n1 ZINC000417784328 309222009 /nfs/dbraw/zinc/22/20/09/309222009.db2.gz CEXJBXHTSNBFLF-MJGOQNOKSA-N 2 1 326.488 3.213 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000418127728 309236672 /nfs/dbraw/zinc/23/66/72/309236672.db2.gz AHDALZMNWDJVDM-KRWDZBQOSA-N 2 1 339.474 3.074 20 0 EGADMP COCC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)c1ccccc1 ZINC000420295497 309279880 /nfs/dbraw/zinc/27/98/80/309279880.db2.gz ARPOQMTXZYUWNR-YLJYHZDGSA-N 2 1 342.483 3.447 20 0 EGADMP COCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(F)cc1Cl ZINC000420300370 309280268 /nfs/dbraw/zinc/28/02/68/309280268.db2.gz KEOLTDYGLLXBSD-AWEZNQCLSA-N 2 1 328.859 3.317 20 0 EGADMP c1ccc(C(c2ccccc2)[NH+]2CCN(CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420308067 309280903 /nfs/dbraw/zinc/28/09/03/309280903.db2.gz RXNFANPMUSRTHP-HXUWFJFHSA-N 2 1 349.522 3.393 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000420313053 309281181 /nfs/dbraw/zinc/28/11/81/309281181.db2.gz TXNSWYHFBCIORT-KPFFTGBYSA-N 2 1 337.467 3.344 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000420313053 309281182 /nfs/dbraw/zinc/28/11/82/309281182.db2.gz TXNSWYHFBCIORT-KPFFTGBYSA-N 2 1 337.467 3.344 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420320019 309281898 /nfs/dbraw/zinc/28/18/98/309281898.db2.gz QAFLMJRXYZTDNR-SFHVURJKSA-N 2 1 326.488 3.229 20 0 EGADMP Cc1ccc(-c2cc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000420321252 309282055 /nfs/dbraw/zinc/28/20/55/309282055.db2.gz COWOYUJLAYVRPZ-QZTJIDSGSA-N 2 1 325.456 3.472 20 0 EGADMP COc1ccc(-c2cnc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000420320299 309282174 /nfs/dbraw/zinc/28/21/74/309282174.db2.gz BDDNEHGBNOVWAN-IRXDYDNUSA-N 2 1 341.455 3.172 20 0 EGADMP CCOc1cc2c(cc1OCC)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000420326752 309282299 /nfs/dbraw/zinc/28/22/99/309282299.db2.gz XOSDVKZKXQRPGJ-INIZCTEOSA-N 2 1 332.488 3.232 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000420323456 309282453 /nfs/dbraw/zinc/28/24/53/309282453.db2.gz UHVAJFOBXKEOKH-FSSWDIPSSA-N 2 1 338.495 3.015 20 0 EGADMP Cc1cc(-c2noc([C@H](C)[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)ccc1F ZINC000420334821 309282757 /nfs/dbraw/zinc/28/27/57/309282757.db2.gz LISCYRWVSJCHTD-CWRNSKLLSA-N 2 1 344.434 3.177 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420334327 309282912 /nfs/dbraw/zinc/28/29/12/309282912.db2.gz GDSKIECXPQEZCI-RCCFBDPRSA-N 2 1 343.515 3.459 20 0 EGADMP Cc1cc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)ccc1F ZINC000420338793 309283180 /nfs/dbraw/zinc/28/31/80/309283180.db2.gz XZVNZISFCKIFNG-HOTGVXAUSA-N 2 1 344.434 3.006 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420344040 309283471 /nfs/dbraw/zinc/28/34/71/309283471.db2.gz RUODCXOQDGQSIN-FHWLQOOXSA-N 2 1 343.515 3.260 20 0 EGADMP [NH3+]C[C@H]([NH2+]CCOc1ccccc1Br)C1CCCCC1 ZINC000420353310 309283594 /nfs/dbraw/zinc/28/35/94/309283594.db2.gz AJBPGPBEIAMKPB-HNNXBMFYSA-N 2 1 341.293 3.325 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420373873 309285169 /nfs/dbraw/zinc/28/51/69/309285169.db2.gz GZWCEUFBLMBWMT-VYDXJSESSA-N 2 1 325.456 3.084 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420373873 309285170 /nfs/dbraw/zinc/28/51/70/309285170.db2.gz GZWCEUFBLMBWMT-VYDXJSESSA-N 2 1 325.456 3.084 20 0 EGADMP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)n2)cc1F ZINC000420395494 309286227 /nfs/dbraw/zinc/28/62/27/309286227.db2.gz DMCBOQYKFKIMCA-CZUORRHYSA-N 2 1 346.450 3.033 20 0 EGADMP COCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC[C@H](C)C1 ZINC000420916129 309300964 /nfs/dbraw/zinc/30/09/64/309300964.db2.gz GOFVDLCXWOMUQY-RXVVDRJESA-N 2 1 346.515 3.156 20 0 EGADMP COCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC[C@H](C)C1 ZINC000420916129 309300965 /nfs/dbraw/zinc/30/09/65/309300965.db2.gz GOFVDLCXWOMUQY-RXVVDRJESA-N 2 1 346.515 3.156 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421823137 309341690 /nfs/dbraw/zinc/34/16/90/309341690.db2.gz CDSMVYIMQSKOCM-CYBMUJFWSA-N 2 1 328.859 3.111 20 0 EGADMP COC1([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)CCCCC1 ZINC000421828234 309341950 /nfs/dbraw/zinc/34/19/50/309341950.db2.gz BSCIGXFCKMLDID-MRXNPFEDSA-N 2 1 346.519 3.390 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1Cl ZINC000421832639 309342399 /nfs/dbraw/zinc/34/23/99/309342399.db2.gz GPFRVMKXJOTLEM-ZNMIVQPWSA-N 2 1 325.884 3.275 20 0 EGADMP COC1([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CCCC1 ZINC000421842494 309342841 /nfs/dbraw/zinc/34/28/41/309342841.db2.gz OAGGTYCWXQZMML-XLIONFOSSA-N 2 1 346.515 3.081 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422636684 309363064 /nfs/dbraw/zinc/36/30/64/309363064.db2.gz NLWIVKDPYSSCDA-KKUMJFAQSA-N 2 1 335.517 3.042 20 0 EGADMP C[C@H](N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000422725939 309365220 /nfs/dbraw/zinc/36/52/20/309365220.db2.gz CPXQQGURDDTMDR-HQRMLTQVSA-N 2 1 329.532 3.047 20 0 EGADMP C[C@H](N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000422725939 309365221 /nfs/dbraw/zinc/36/52/21/309365221.db2.gz CPXQQGURDDTMDR-HQRMLTQVSA-N 2 1 329.532 3.047 20 0 EGADMP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1OC1CCCC1 ZINC000422728183 309365344 /nfs/dbraw/zinc/36/53/44/309365344.db2.gz IUVHGFUDMSJCQU-SJPCQFCGSA-N 2 1 330.472 3.389 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422747467 309366194 /nfs/dbraw/zinc/36/61/94/309366194.db2.gz YUVOZLMDLUJGJG-KPACCLEDSA-N 2 1 327.516 3.332 20 0 EGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422747467 309366195 /nfs/dbraw/zinc/36/61/95/309366195.db2.gz YUVOZLMDLUJGJG-KPACCLEDSA-N 2 1 327.516 3.332 20 0 EGADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@H]3CCCCN3)CC2)cc1 ZINC000422784376 309368060 /nfs/dbraw/zinc/36/80/60/309368060.db2.gz PNZIHKRSIUMJHO-LAUBAEHRSA-N 2 1 345.531 3.027 20 0 EGADMP c1ccc(CCN2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422845138 309371601 /nfs/dbraw/zinc/37/16/01/309371601.db2.gz NORWUBNGDPMENA-BHDDXSALSA-N 2 1 341.543 3.204 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422845138 309371602 /nfs/dbraw/zinc/37/16/02/309371602.db2.gz NORWUBNGDPMENA-BHDDXSALSA-N 3 1 341.543 3.204 20 0 EGADMP CCOCCOCc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422859363 309372388 /nfs/dbraw/zinc/37/23/88/309372388.db2.gz JVQGFFLSKXWVCB-NHCUHLMSSA-N 2 1 340.467 3.474 20 0 EGADMP C[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000422862972 309372617 /nfs/dbraw/zinc/37/26/17/309372617.db2.gz OIRYLOMQMSVXPX-REHHDOPLSA-N 2 1 343.515 3.095 20 0 EGADMP C[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC000422862972 309372618 /nfs/dbraw/zinc/37/26/18/309372618.db2.gz OIRYLOMQMSVXPX-REHHDOPLSA-N 2 1 343.515 3.095 20 0 EGADMP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1OC(F)F ZINC000422871719 309372977 /nfs/dbraw/zinc/37/29/77/309372977.db2.gz DILHCKFDJWRBHW-TZMCWYRMSA-N 2 1 328.403 3.164 20 0 EGADMP C[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422913960 309375995 /nfs/dbraw/zinc/37/59/95/309375995.db2.gz ZOCHJWOHFYQALP-LVCYWYKZSA-N 2 1 325.500 3.055 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423092483 309385485 /nfs/dbraw/zinc/38/54/85/309385485.db2.gz CAMMFNMDHJCBNK-IOMROCGXSA-N 2 1 329.532 3.332 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000423110150 309386507 /nfs/dbraw/zinc/38/65/07/309386507.db2.gz UQYQJGJHDGOYLH-CQSZACIVSA-N 2 1 342.462 3.439 20 0 EGADMP COc1cc(OC)c([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000423212656 309390673 /nfs/dbraw/zinc/39/06/73/309390673.db2.gz IXBCWEMCZMZXJJ-AVGNSLFASA-N 2 1 326.868 3.396 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423215001 309390822 /nfs/dbraw/zinc/39/08/22/309390822.db2.gz MFPHLKLLSOQDLK-RBSFLKMASA-N 2 1 334.460 3.120 20 0 EGADMP C[NH2+]C[C@H](C)C[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000423270307 309393411 /nfs/dbraw/zinc/39/34/11/309393411.db2.gz HRLLHYBDGRBNSR-BONVTDFDSA-N 2 1 329.257 3.484 20 0 EGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)C2CCSCC2)cc1 ZINC000423317984 309394897 /nfs/dbraw/zinc/39/48/97/309394897.db2.gz BLNCPQCFMFBROR-MDASCCDHSA-N 2 1 334.529 3.262 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423322578 309395163 /nfs/dbraw/zinc/39/51/63/309395163.db2.gz IVYVHKCZLUQDCV-OXQOHEQNSA-N 2 1 337.467 3.101 20 0 EGADMP CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC[NH2+]CC1 ZINC000423326386 309395309 /nfs/dbraw/zinc/39/53/09/309395309.db2.gz KLGFOVOAXMAKET-PWRODBHTSA-N 3 1 341.543 3.409 20 0 EGADMP CC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)CC[NH2+]CC1 ZINC000423326386 309395310 /nfs/dbraw/zinc/39/53/10/309395310.db2.gz KLGFOVOAXMAKET-PWRODBHTSA-N 2 1 341.543 3.409 20 0 EGADMP [NH3+][C@H](C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br)C1CC1 ZINC000423329395 309395440 /nfs/dbraw/zinc/39/54/40/309395440.db2.gz SSXMQTUKIZHZDV-ZIAGYGMSSA-N 2 1 329.669 3.417 20 0 EGADMP CC(C)[C@@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H](C)[NH3+] ZINC000423335136 309395659 /nfs/dbraw/zinc/39/56/59/309395659.db2.gz PNWFSAGYLGUJMP-MBOZVWFJSA-N 2 1 345.531 3.154 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]Cc4ccc5c(c4)C[NH2+]C5)[C@@H]3C2)cc1 ZINC000423366189 309397111 /nfs/dbraw/zinc/39/71/11/309397111.db2.gz BQTHCQIIIMRYMN-WWNPGLIZSA-N 2 1 347.506 3.290 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NCc4ccc5c(c4)C[NH2+]C5)[C@@H]3C2)cc1 ZINC000423366189 309397112 /nfs/dbraw/zinc/39/71/12/309397112.db2.gz BQTHCQIIIMRYMN-WWNPGLIZSA-N 2 1 347.506 3.290 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCc4ccc5c(c4)C[NH2+]C5)[C@@H]3C2)cc1 ZINC000423366189 309397113 /nfs/dbraw/zinc/39/71/13/309397113.db2.gz BQTHCQIIIMRYMN-WWNPGLIZSA-N 2 1 347.506 3.290 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC[NH2+]1 ZINC000423363578 309397233 /nfs/dbraw/zinc/39/72/33/309397233.db2.gz APZNDQOYFHMLON-XDMRBOTDSA-N 2 1 327.241 3.306 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(Br)c1 ZINC000423369612 309397363 /nfs/dbraw/zinc/39/73/63/309397363.db2.gz FFPCALGUYOXEMP-QJPTWQEYSA-N 2 1 327.266 3.378 20 0 EGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423372368 309397581 /nfs/dbraw/zinc/39/75/81/309397581.db2.gz BGZHANBSDIHSJI-GOSISDBHSA-N 2 1 337.458 3.301 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000423383594 309398061 /nfs/dbraw/zinc/39/80/61/309398061.db2.gz KKZNDFTWAXKQJR-HGJUEJDCSA-N 3 1 327.516 3.147 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000423383594 309398062 /nfs/dbraw/zinc/39/80/62/309398062.db2.gz KKZNDFTWAXKQJR-HGJUEJDCSA-N 2 1 327.516 3.147 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000423383594 309398063 /nfs/dbraw/zinc/39/80/63/309398063.db2.gz KKZNDFTWAXKQJR-HGJUEJDCSA-N 2 1 327.516 3.147 20 0 EGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1Cl ZINC000423488803 309402389 /nfs/dbraw/zinc/40/23/89/309402389.db2.gz FACSAMUGAXMMHA-HIFRSBDPSA-N 2 1 326.868 3.156 20 0 EGADMP C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424297498 309437139 /nfs/dbraw/zinc/43/71/39/309437139.db2.gz SUAGMKCSDUCULI-LBPRGKRZSA-N 2 1 332.398 3.163 20 0 EGADMP CCn1cccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)c1=O ZINC000433098300 309678739 /nfs/dbraw/zinc/67/87/39/309678739.db2.gz TWWJDEAZIKWUSI-APWZRJJASA-N 2 1 331.504 3.001 20 0 EGADMP CC(C)COc1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000449162611 310041325 /nfs/dbraw/zinc/04/13/25/310041325.db2.gz SLBAOKRZBZPXOT-SFHVURJKSA-N 2 1 346.515 3.312 20 0 EGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCC12CCC2 ZINC000449233765 310046507 /nfs/dbraw/zinc/04/65/07/310046507.db2.gz MXXDITHDOPKDCN-VQTJNVASSA-N 2 1 328.500 3.456 20 0 EGADMP CC1=CC[N@@H+](CCNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449241283 310047045 /nfs/dbraw/zinc/04/70/45/310047045.db2.gz AIGDYAYVGIENCP-FQEVSTJZSA-N 2 1 341.543 3.324 20 0 EGADMP CC1=CCN(CC[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449241283 310047046 /nfs/dbraw/zinc/04/70/46/310047046.db2.gz AIGDYAYVGIENCP-FQEVSTJZSA-N 2 1 341.543 3.324 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccncc1F ZINC000449241113 310047192 /nfs/dbraw/zinc/04/71/92/310047192.db2.gz RERJYUPKNAQMHE-UHFFFAOYSA-N 2 1 328.435 3.354 20 0 EGADMP CCO[C@@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](CC)CC2)C[C@H]1C ZINC000449501817 310067318 /nfs/dbraw/zinc/06/73/18/310067318.db2.gz WEQLXXQQLZXHSU-WIYYLYMNSA-N 2 1 345.531 3.075 20 0 EGADMP OC[C@@H]([C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1)C1CC1 ZINC000449510264 310068007 /nfs/dbraw/zinc/06/80/07/310068007.db2.gz PYENACQFNCGREB-NHCUHLMSSA-N 2 1 328.500 3.038 20 0 EGADMP CC[NH+](CC)CCOC1CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450449519 310123283 /nfs/dbraw/zinc/12/32/83/310123283.db2.gz FFJOWRASGGSOMJ-LJQANCHMSA-N 2 1 339.568 3.072 20 0 EGADMP CC[NH+](CC)CCOC1CC[NH+](C[C@H]2CCCCN2C(C)C)CC1 ZINC000450449519 310123284 /nfs/dbraw/zinc/12/32/84/310123284.db2.gz FFJOWRASGGSOMJ-LJQANCHMSA-N 2 1 339.568 3.072 20 0 EGADMP CO[C@@H](Cc1ccccc1)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000450881118 310147464 /nfs/dbraw/zinc/14/74/64/310147464.db2.gz YMSMOCJZOFIQEO-FQEVSTJZSA-N 2 1 340.467 3.491 20 0 EGADMP C(C[NH+]1CCSC[C@H]1C1CC1)C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451656256 310191441 /nfs/dbraw/zinc/19/14/41/310191441.db2.gz SQMOQSJTAVYTGV-IRXDYDNUSA-N 2 1 326.575 3.031 20 0 EGADMP C(C[NH+]1CCSC[C@H]1C1CC1)C[N@H+]1CCSC[C@H]1C1CC1 ZINC000451656256 310191442 /nfs/dbraw/zinc/19/14/42/310191442.db2.gz SQMOQSJTAVYTGV-IRXDYDNUSA-N 2 1 326.575 3.031 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1ccncn1 ZINC000453056975 310254817 /nfs/dbraw/zinc/25/48/17/310254817.db2.gz CYTREPLTQKOUCM-INIZCTEOSA-N 2 1 328.460 3.048 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1ccncn1 ZINC000453056976 310254899 /nfs/dbraw/zinc/25/48/99/310254899.db2.gz CYTREPLTQKOUCM-MRXNPFEDSA-N 2 1 328.460 3.048 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCCOC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453070935 310255948 /nfs/dbraw/zinc/25/59/48/310255948.db2.gz PYKUEEGRMGKFCO-WOZUAGRISA-N 2 1 328.500 3.446 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2COc3ccc(OC)cc3C2)c1 ZINC000453117457 310259018 /nfs/dbraw/zinc/25/90/18/310259018.db2.gz ZEWAIJXAXAMRIL-LJQANCHMSA-N 2 1 340.467 3.240 20 0 EGADMP OCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCC1 ZINC000453187805 310263130 /nfs/dbraw/zinc/26/31/30/310263130.db2.gz AOBFWUQSWQICDC-AQNXPRMDSA-N 2 1 328.500 3.182 20 0 EGADMP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453274658 310268618 /nfs/dbraw/zinc/26/86/18/310268618.db2.gz KQYAQTVZQNFHRD-PMXSJFBMSA-N 2 1 330.516 3.428 20 0 EGADMP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000453374549 310273501 /nfs/dbraw/zinc/27/35/01/310273501.db2.gz OZNBIYPRQCPBLX-SHQCPXRQSA-N 2 1 328.500 3.300 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(N2CCCC2=O)c1 ZINC000453387789 310274278 /nfs/dbraw/zinc/27/42/78/310274278.db2.gz BFRSFVPDAJCZPP-INIZCTEOSA-N 2 1 329.488 3.338 20 0 EGADMP FC(F)(F)c1ccc(OCCC[NH2+]C2CC[NH+](C3CC3)CC2)nc1 ZINC000459513936 310557685 /nfs/dbraw/zinc/55/76/85/310557685.db2.gz GAMOLJXMFYDQDZ-UHFFFAOYSA-N 2 1 343.393 3.086 20 0 EGADMP Cc1cc(N2CCC([NH2+]C3C4CC5CC(C4)CC3C5)CC2)nc(C)[nH+]1 ZINC000484308071 310964082 /nfs/dbraw/zinc/96/40/82/310964082.db2.gz ZLWPZPAEBZUBMH-UHFFFAOYSA-N 2 1 340.515 3.477 20 0 EGADMP Cc1cc(N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)c2cc(Cl)cc(C)c2[nH+]1 ZINC000488754737 311078880 /nfs/dbraw/zinc/07/88/80/311078880.db2.gz VRWCBGOFYSORNZ-RHSMWYFYSA-N 2 1 347.890 3.396 20 0 EGADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1)C1CCCC1 ZINC000496211719 311678976 /nfs/dbraw/zinc/67/89/76/311678976.db2.gz GTTSXVMZLKPEPL-IEBWSBKVSA-N 2 1 345.487 3.147 20 0 EGADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000505611625 312028170 /nfs/dbraw/zinc/02/81/70/312028170.db2.gz MBDBIONPGHCWJU-PKOBYXMFSA-N 2 1 345.531 3.216 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000512610536 312189930 /nfs/dbraw/zinc/18/99/30/312189930.db2.gz BYQNKVYYFAFFQG-PLACYPQZSA-N 2 1 328.500 3.303 20 0 EGADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512665913 312191519 /nfs/dbraw/zinc/19/15/19/312191519.db2.gz IAXGUWCWENBJCF-JOZSIVFUSA-N 2 1 330.516 3.284 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCN(C5CC5)C4)[C@H]3C2)cc1 ZINC000512660013 312191542 /nfs/dbraw/zinc/19/15/42/312191542.db2.gz LDCOSHBKNHJLDW-LGGPRVQUSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@H]4CC[NH+](C5CC5)C4)[C@H]3C2)cc1 ZINC000512660013 312191545 /nfs/dbraw/zinc/19/15/45/312191545.db2.gz LDCOSHBKNHJLDW-LGGPRVQUSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@H]4CC[NH+](C5CC5)C4)[C@H]3C2)cc1 ZINC000512660013 312191547 /nfs/dbraw/zinc/19/15/47/312191547.db2.gz LDCOSHBKNHJLDW-LGGPRVQUSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H](N[C@H]4CC[N@@H+](C5CC5)C4)[C@H]3C2)cc1 ZINC000512660013 312191549 /nfs/dbraw/zinc/19/15/49/312191549.db2.gz LDCOSHBKNHJLDW-LGGPRVQUSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H](N[C@H]4CC[N@H+](C5CC5)C4)[C@H]3C2)cc1 ZINC000512660013 312191551 /nfs/dbraw/zinc/19/15/51/312191551.db2.gz LDCOSHBKNHJLDW-LGGPRVQUSA-N 2 1 339.527 3.113 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)C(C2CC2)C2CC2)CC1 ZINC000512710136 312193213 /nfs/dbraw/zinc/19/32/13/312193213.db2.gz NOUJTKCJHIDFDU-UHFFFAOYSA-N 2 1 327.516 3.449 20 0 EGADMP CCN(C(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC000522546187 312592035 /nfs/dbraw/zinc/59/20/35/312592035.db2.gz AFIVAPCFHARTQZ-SJLPKXTDSA-N 2 1 333.520 3.384 20 0 EGADMP OC1CC(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000528017436 313000519 /nfs/dbraw/zinc/00/05/19/313000519.db2.gz GYPKENFGGIGPBK-YCHQTSKFSA-N 2 1 328.500 3.038 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3(O)CCC(c4ccccc4)CC3)CC[C@H]21 ZINC000528404661 313085966 /nfs/dbraw/zinc/08/59/66/313085966.db2.gz IHGFROMBZQPXBT-PWAJEDTMSA-N 2 1 342.527 3.491 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(O)CCC(c4ccccc4)CC3)CC[C@H]21 ZINC000528404661 313085970 /nfs/dbraw/zinc/08/59/70/313085970.db2.gz IHGFROMBZQPXBT-PWAJEDTMSA-N 2 1 342.527 3.491 20 0 EGADMP CCn1ccnc1CN1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC000528639267 313135669 /nfs/dbraw/zinc/13/56/69/313135669.db2.gz LFCAZBDBKHJROK-IBGZPJMESA-N 2 1 326.488 3.245 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528729653 313157858 /nfs/dbraw/zinc/15/78/58/313157858.db2.gz NCUNBYMUARFKJJ-FQEVSTJZSA-N 2 1 325.456 3.213 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528729653 313157861 /nfs/dbraw/zinc/15/78/61/313157861.db2.gz NCUNBYMUARFKJJ-FQEVSTJZSA-N 2 1 325.456 3.213 20 0 EGADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C1CC[NH+](C)CC1 ZINC000531690020 313701982 /nfs/dbraw/zinc/70/19/82/313701982.db2.gz MPKCCIKWJFFBQQ-GFCCVEGCSA-N 2 1 343.393 3.106 20 0 EGADMP CCC[C@@H]1C[NH+](CCCCC[N@H+]2CCO[C@H](CCC)C2)CCO1 ZINC000535378526 314043952 /nfs/dbraw/zinc/04/39/52/314043952.db2.gz OFVFDGOEYTYPEF-RTBURBONSA-N 2 1 326.525 3.159 20 0 EGADMP C[N@@H+](CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)Cc1ccccc1 ZINC000536308739 314105954 /nfs/dbraw/zinc/10/59/54/314105954.db2.gz OWNLHFMVDUNMCN-AQNXPRMDSA-N 2 1 328.500 3.446 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC000536609363 314130162 /nfs/dbraw/zinc/13/01/62/314130162.db2.gz FZVYEICXGDZCIQ-HNNXBMFYSA-N 2 1 342.487 3.186 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC000536609363 314130164 /nfs/dbraw/zinc/13/01/64/314130164.db2.gz FZVYEICXGDZCIQ-HNNXBMFYSA-N 2 1 342.487 3.186 20 0 EGADMP C[C@@H](c1cccc2ccccc21)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000537610515 314195994 /nfs/dbraw/zinc/19/59/94/314195994.db2.gz VWDXNAFGGPSFFN-SFHVURJKSA-N 2 1 325.500 3.470 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2Cc3ccccc3C2)[C@@H](C)C1 ZINC000539070497 314293805 /nfs/dbraw/zinc/29/38/05/314293805.db2.gz LZWXOIAIEKCCOD-LAUBAEHRSA-N 2 1 330.516 3.128 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000539063337 314293838 /nfs/dbraw/zinc/29/38/38/314293838.db2.gz AKPOCJHTPFQBBZ-ZBFHGGJFSA-N 2 1 344.528 3.195 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000539063337 314293840 /nfs/dbraw/zinc/29/38/40/314293840.db2.gz AKPOCJHTPFQBBZ-ZBFHGGJFSA-N 2 1 344.528 3.195 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000549747610 315103199 /nfs/dbraw/zinc/10/31/99/315103199.db2.gz BCMJWWUNAMIRFJ-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000549747610 315103202 /nfs/dbraw/zinc/10/32/02/315103202.db2.gz BCMJWWUNAMIRFJ-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000549747610 315103204 /nfs/dbraw/zinc/10/32/04/315103204.db2.gz BCMJWWUNAMIRFJ-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[C@@H]1C[NH+](C[C@H](C)C[N@H+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000550188999 315119444 /nfs/dbraw/zinc/11/94/44/315119444.db2.gz PJVBVIPWDDILDF-OWZKRDHZSA-N 2 1 340.552 3.116 20 0 EGADMP CC(C)[C@@H]1C[N@H+](C[C@H](C)C[NH+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000550188999 315119446 /nfs/dbraw/zinc/11/94/46/315119446.db2.gz PJVBVIPWDDILDF-OWZKRDHZSA-N 2 1 340.552 3.116 20 0 EGADMP CC(C)[C@@H]1C[N@@H+](C[C@H](C)C[NH+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000550188999 315119447 /nfs/dbraw/zinc/11/94/47/315119447.db2.gz PJVBVIPWDDILDF-OWZKRDHZSA-N 2 1 340.552 3.116 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000551008323 315139688 /nfs/dbraw/zinc/13/96/88/315139688.db2.gz WMSMOUKCWPVUQY-ILWGZMRPSA-N 2 1 338.495 3.263 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000551008323 315139691 /nfs/dbraw/zinc/13/96/91/315139691.db2.gz WMSMOUKCWPVUQY-ILWGZMRPSA-N 2 1 338.495 3.263 20 0 EGADMP CCc1[nH+]c2ccccc2c(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1C ZINC000553603577 315272308 /nfs/dbraw/zinc/27/23/08/315272308.db2.gz FAMDCZGUOJKKLT-NVXWUHKLSA-N 2 1 339.483 3.405 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C(C)(C)C)C[C@@H]2C)CC1 ZINC000553987681 315292475 /nfs/dbraw/zinc/29/24/75/315292475.db2.gz QSTQJJODFPTMEU-IRXDYDNUSA-N 2 1 337.552 3.122 20 0 EGADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CC[C@H]2C2CC2)[C@@H](c2ccccc2)C1 ZINC000554049425 315295334 /nfs/dbraw/zinc/29/53/34/315295334.db2.gz QYVCRNRHVVTBEN-PWRODBHTSA-N 2 1 327.516 3.143 20 0 EGADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2sccc2Br)C1 ZINC000563570278 316039722 /nfs/dbraw/zinc/03/97/22/316039722.db2.gz BDULZNVNLWBCMP-AAEUAGOBSA-N 2 1 329.307 3.427 20 0 EGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000564969838 316239559 /nfs/dbraw/zinc/23/95/59/316239559.db2.gz GAUYUBXVLLTCOI-MSOLQXFVSA-N 2 1 332.488 3.306 20 0 EGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000564969838 316239562 /nfs/dbraw/zinc/23/95/62/316239562.db2.gz GAUYUBXVLLTCOI-MSOLQXFVSA-N 2 1 332.488 3.306 20 0 EGADMP CCCNC(=O)CCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000565156410 316277231 /nfs/dbraw/zinc/27/72/31/316277231.db2.gz JQGUDYNJKLZGMJ-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP CCCNC(=O)CCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000565156410 316277236 /nfs/dbraw/zinc/27/72/36/316277236.db2.gz JQGUDYNJKLZGMJ-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP CCCNC(=O)CCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000565156410 316277242 /nfs/dbraw/zinc/27/72/42/316277242.db2.gz JQGUDYNJKLZGMJ-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP CCCNC(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000565156410 316277248 /nfs/dbraw/zinc/27/72/48/316277248.db2.gz JQGUDYNJKLZGMJ-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP Cc1noc(C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc2)n1 ZINC000565634574 316348874 /nfs/dbraw/zinc/34/88/74/316348874.db2.gz DAGCITRWDKFEGT-LJQANCHMSA-N 2 1 340.471 3.126 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000565652205 316351949 /nfs/dbraw/zinc/35/19/49/316351949.db2.gz AOKZWBKISMVGIB-UGKGYDQZSA-N 2 1 340.511 3.311 20 0 EGADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000566317706 316456174 /nfs/dbraw/zinc/45/61/74/316456174.db2.gz ZZTXHRRYWSODOY-UHFFFAOYSA-N 2 1 340.393 3.153 20 0 EGADMP COCC1(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000571325839 317183268 /nfs/dbraw/zinc/18/32/68/317183268.db2.gz VCPNMMQMIHTJEY-SLFFLAALSA-N 2 1 328.500 3.303 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C)cc3F)CC2)CC1 ZINC000571653111 317229503 /nfs/dbraw/zinc/22/95/03/317229503.db2.gz FYQBVVWUBKRONJ-UHFFFAOYSA-N 2 1 347.478 3.269 20 0 EGADMP CCCCCOc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000571920735 317265929 /nfs/dbraw/zinc/26/59/29/317265929.db2.gz GGKZLHOKYISSHN-ROUUACIJSA-N 2 1 332.488 3.306 20 0 EGADMP CCCCCOc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000571920735 317265933 /nfs/dbraw/zinc/26/59/33/317265933.db2.gz GGKZLHOKYISSHN-ROUUACIJSA-N 2 1 332.488 3.306 20 0 EGADMP COc1cc2c(cc1C[NH2+]CC(C)(C)C[NH+]1CCCC1)O[C@@H](C)C2 ZINC000572784983 317391811 /nfs/dbraw/zinc/39/18/11/317391811.db2.gz SCIYGIFPCKJJRX-HNNXBMFYSA-N 2 1 332.488 3.230 20 0 EGADMP COc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1Br ZINC000290308783 456287472 /nfs/dbraw/zinc/28/74/72/456287472.db2.gz BZIGSZDIOKFXGP-IUODEOHRSA-N 2 1 341.293 3.230 20 0 EGADMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1Br ZINC000290308783 456287478 /nfs/dbraw/zinc/28/74/78/456287478.db2.gz BZIGSZDIOKFXGP-IUODEOHRSA-N 2 1 341.293 3.230 20 0 EGADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1Br ZINC000290308783 456287483 /nfs/dbraw/zinc/28/74/83/456287483.db2.gz BZIGSZDIOKFXGP-IUODEOHRSA-N 2 1 341.293 3.230 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000379861560 324243056 /nfs/dbraw/zinc/24/30/56/324243056.db2.gz SHMQZGJDSKHZFC-WCXIOVBPSA-N 2 1 339.524 3.285 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000379861560 324243060 /nfs/dbraw/zinc/24/30/60/324243060.db2.gz SHMQZGJDSKHZFC-WCXIOVBPSA-N 2 1 339.524 3.285 20 0 EGADMP Cc1cnccc1CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000397526158 324295227 /nfs/dbraw/zinc/29/52/27/324295227.db2.gz QILYPMNGUQNNOX-FCHUYYIVSA-N 2 1 335.495 3.386 20 0 EGADMP Cc1cnccc1CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000397526158 324295234 /nfs/dbraw/zinc/29/52/34/324295234.db2.gz QILYPMNGUQNNOX-FCHUYYIVSA-N 2 1 335.495 3.386 20 0 EGADMP Cc1cnccc1CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000397526158 324295238 /nfs/dbraw/zinc/29/52/38/324295238.db2.gz QILYPMNGUQNNOX-FCHUYYIVSA-N 2 1 335.495 3.386 20 0 EGADMP CCc1ncc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414365156 324299022 /nfs/dbraw/zinc/29/90/22/324299022.db2.gz KAUPZQACDCWXDR-PKOBYXMFSA-N 2 1 338.499 3.429 20 0 EGADMP CCn1cncc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000417947317 324303079 /nfs/dbraw/zinc/30/30/79/324303079.db2.gz GHDJLZLQMHLJAN-IEBWSBKVSA-N 2 1 326.488 3.293 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCOCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000579865927 325170306 /nfs/dbraw/zinc/17/03/06/325170306.db2.gz CJXDFWSOPBKQCS-HZPDHXFCSA-N 2 1 330.394 3.381 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CCCOCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000579865927 325170309 /nfs/dbraw/zinc/17/03/09/325170309.db2.gz CJXDFWSOPBKQCS-HZPDHXFCSA-N 2 1 330.394 3.381 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000580427256 325248867 /nfs/dbraw/zinc/24/88/67/325248867.db2.gz MDQVKVWYRZILKV-CJNGLKHVSA-N 2 1 330.394 3.400 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000580427256 325248869 /nfs/dbraw/zinc/24/88/69/325248869.db2.gz MDQVKVWYRZILKV-CJNGLKHVSA-N 2 1 330.394 3.400 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000580427256 325248870 /nfs/dbraw/zinc/24/88/70/325248870.db2.gz MDQVKVWYRZILKV-CJNGLKHVSA-N 2 1 330.394 3.400 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000580427256 325248873 /nfs/dbraw/zinc/24/88/73/325248873.db2.gz MDQVKVWYRZILKV-CJNGLKHVSA-N 2 1 330.394 3.400 20 0 EGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000580873899 325303666 /nfs/dbraw/zinc/30/36/66/325303666.db2.gz SWYZHGSWEKJEFM-CUDHKJQZSA-N 2 1 334.504 3.242 20 0 EGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000580873899 325303667 /nfs/dbraw/zinc/30/36/67/325303667.db2.gz SWYZHGSWEKJEFM-CUDHKJQZSA-N 2 1 334.504 3.242 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000581487583 325365507 /nfs/dbraw/zinc/36/55/07/325365507.db2.gz XEPWHPWIMGEJNG-FNHZYXHNSA-N 2 1 340.471 3.266 20 0 EGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496363180 459167034 /nfs/dbraw/zinc/16/70/34/459167034.db2.gz RSGIPGFFKLASEX-OAHLLOKOSA-N 2 1 327.513 3.096 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496363180 459167039 /nfs/dbraw/zinc/16/70/39/459167039.db2.gz RSGIPGFFKLASEX-OAHLLOKOSA-N 2 1 327.513 3.096 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC1(C)C ZINC000623574686 460620329 /nfs/dbraw/zinc/62/03/29/460620329.db2.gz UNAQFITWMSHYAU-IPMKNSEASA-N 2 1 343.515 3.190 20 0 EGADMP c1ccc(OCc2cccnc2)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000075780416 453926102 /nfs/dbraw/zinc/92/61/02/453926102.db2.gz RTCQDSIHGFAOHY-KRWDZBQOSA-N 2 1 337.467 3.235 20 0 EGADMP c1ccc(OCc2cccnc2)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000075780416 453926106 /nfs/dbraw/zinc/92/61/06/453926106.db2.gz RTCQDSIHGFAOHY-KRWDZBQOSA-N 2 1 337.467 3.235 20 0 EGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000054408457 453928818 /nfs/dbraw/zinc/92/88/18/453928818.db2.gz KCYAQECQVRCSDA-INIZCTEOSA-N 2 1 346.519 3.380 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]CC[C@H](C)[NH+]3CCCCC3)c(C)n2n1 ZINC000184500845 455391898 /nfs/dbraw/zinc/39/18/98/455391898.db2.gz VXHKGNHNBCADHO-JKSUJKDBSA-N 2 1 329.492 3.261 20 0 EGADMP C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000068828896 454058300 /nfs/dbraw/zinc/05/83/00/454058300.db2.gz INTAAWCSQUTSIX-SFHVURJKSA-N 2 1 343.515 3.021 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c(F)c1 ZINC000056523227 454064798 /nfs/dbraw/zinc/06/47/98/454064798.db2.gz IDDNFKLSMQWTAG-OAHLLOKOSA-N 2 1 335.467 3.125 20 0 EGADMP C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000088699578 454117333 /nfs/dbraw/zinc/11/73/33/454117333.db2.gz WIVFCZVNKBJPKA-UTKZUKDTSA-N 2 1 346.515 3.454 20 0 EGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000265910715 455403618 /nfs/dbraw/zinc/40/36/18/455403618.db2.gz XUWXFMJHAROXKF-NHCUHLMSSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000265910715 455403621 /nfs/dbraw/zinc/40/36/21/455403621.db2.gz XUWXFMJHAROXKF-NHCUHLMSSA-N 2 1 349.478 3.141 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@@H](C)C1 ZINC000245937651 455404442 /nfs/dbraw/zinc/40/44/42/455404442.db2.gz JJPYJONUELNYCV-IYOUNJFTSA-N 2 1 339.886 3.378 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000045003419 454132521 /nfs/dbraw/zinc/13/25/21/454132521.db2.gz RPCYJEFDFYWRPU-HNNXBMFYSA-N 2 1 343.471 3.026 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000045003419 454132524 /nfs/dbraw/zinc/13/25/24/454132524.db2.gz RPCYJEFDFYWRPU-HNNXBMFYSA-N 2 1 343.471 3.026 20 0 EGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000265981726 455419739 /nfs/dbraw/zinc/41/97/39/455419739.db2.gz BRJCWCHCILXMLG-HUUCEWRRSA-N 2 1 340.414 3.003 20 0 EGADMP Clc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000071819572 454223787 /nfs/dbraw/zinc/22/37/87/454223787.db2.gz XARZWEGMOTVDRQ-CYBMUJFWSA-N 2 1 330.863 3.304 20 0 EGADMP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000096003528 454260520 /nfs/dbraw/zinc/26/05/20/454260520.db2.gz YKDVPLKSZMDAST-WIYYLYMNSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000096003528 454260525 /nfs/dbraw/zinc/26/05/25/454260525.db2.gz YKDVPLKSZMDAST-WIYYLYMNSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000090079249 454274812 /nfs/dbraw/zinc/27/48/12/454274812.db2.gz UCRIMPLZMXNLGN-FKGLVLAHSA-N 2 1 331.287 3.345 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC)[C@H](C)C1 ZINC000132208174 454321577 /nfs/dbraw/zinc/32/15/77/454321577.db2.gz HSDKFWQLVIEQMG-IEBWSBKVSA-N 2 1 334.504 3.312 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC)[C@H](C)C1 ZINC000132208174 454321582 /nfs/dbraw/zinc/32/15/82/454321582.db2.gz HSDKFWQLVIEQMG-IEBWSBKVSA-N 2 1 334.504 3.312 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000090720523 454337719 /nfs/dbraw/zinc/33/77/19/454337719.db2.gz DRZONGZVGKRUOH-WCQYABFASA-N 2 1 327.266 3.030 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Br ZINC000090720523 454337721 /nfs/dbraw/zinc/33/77/21/454337721.db2.gz DRZONGZVGKRUOH-WCQYABFASA-N 2 1 327.266 3.030 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCOC[C@H]2CCCO2)cc1 ZINC000121107092 454391332 /nfs/dbraw/zinc/39/13/32/454391332.db2.gz IJVUNWYWEVJPMO-DNVCBOLYSA-N 2 1 329.444 3.027 20 0 EGADMP CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000133106727 454392990 /nfs/dbraw/zinc/39/29/90/454392990.db2.gz ZTVRMEVEFJKAOE-IRXDYDNUSA-N 2 1 332.488 3.237 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000121416522 454432666 /nfs/dbraw/zinc/43/26/66/454432666.db2.gz DNCOKJSXBHMPMG-DLBZAZTESA-N 3 1 344.503 3.119 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000121423839 454433695 /nfs/dbraw/zinc/43/36/95/454433695.db2.gz VEWQYDFAAFIBEO-UONOGXRCSA-N 2 1 348.878 3.488 20 0 EGADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc2c(c1)OCCO2 ZINC000121444138 454436795 /nfs/dbraw/zinc/43/67/95/454436795.db2.gz YUYKLSJSALAUHJ-YOEHRIQHSA-N 2 1 329.444 3.340 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133678937 454453986 /nfs/dbraw/zinc/45/39/86/454453986.db2.gz QTAUXPXDPKUUAF-SFHVURJKSA-N 2 1 346.563 3.037 20 0 EGADMP CC[C@H](C)N(C)CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133678937 454453990 /nfs/dbraw/zinc/45/39/90/454453990.db2.gz QTAUXPXDPKUUAF-SFHVURJKSA-N 2 1 346.563 3.037 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(Br)c2)[C@@H](C)C1 ZINC000246217928 455450751 /nfs/dbraw/zinc/45/07/51/455450751.db2.gz PSLQCVTUVLIUNZ-WFASDCNBSA-N 2 1 341.293 3.278 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(Br)c2)[C@@H](C)C1 ZINC000246217928 455450756 /nfs/dbraw/zinc/45/07/56/455450756.db2.gz PSLQCVTUVLIUNZ-WFASDCNBSA-N 2 1 341.293 3.278 20 0 EGADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c(N(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000080230905 454552501 /nfs/dbraw/zinc/55/25/01/454552501.db2.gz BVNCOHYABLVIOU-WBVHZDCISA-N 2 1 325.460 3.008 20 0 EGADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c(N(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000080230905 454552503 /nfs/dbraw/zinc/55/25/03/454552503.db2.gz BVNCOHYABLVIOU-WBVHZDCISA-N 2 1 325.460 3.008 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](CCC(N)=O)C1 ZINC000092660429 454603730 /nfs/dbraw/zinc/60/37/30/454603730.db2.gz SFKODLCIZZLZBV-LJQANCHMSA-N 2 1 345.531 3.122 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000092660429 454603733 /nfs/dbraw/zinc/60/37/33/454603733.db2.gz SFKODLCIZZLZBV-LJQANCHMSA-N 2 1 345.531 3.122 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000092660429 454603736 /nfs/dbraw/zinc/60/37/36/454603736.db2.gz SFKODLCIZZLZBV-LJQANCHMSA-N 2 1 345.531 3.122 20 0 EGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000123197595 454614664 /nfs/dbraw/zinc/61/46/64/454614664.db2.gz KFQBOZBXTKTGSE-HUUCEWRRSA-N 2 1 329.488 3.354 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000123197595 454614666 /nfs/dbraw/zinc/61/46/66/454614666.db2.gz KFQBOZBXTKTGSE-HUUCEWRRSA-N 2 1 329.488 3.354 20 0 EGADMP CC(=O)NCCc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000092720627 454617081 /nfs/dbraw/zinc/61/70/81/454617081.db2.gz JMBVPKHOJPQVAE-ROUUACIJSA-N 2 1 345.531 3.280 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000092756949 454626862 /nfs/dbraw/zinc/62/68/62/454626862.db2.gz UFPVTNQKKFPITA-HXUWFJFHSA-N 2 1 329.532 3.315 20 0 EGADMP Cc1[nH+]ccn1-c1cncc(NCCCC[N@H+]2CCCC[C@H]2C)n1 ZINC000092890918 454649598 /nfs/dbraw/zinc/64/95/98/454649598.db2.gz XGXZUCLJOLDQMG-OAHLLOKOSA-N 2 1 328.464 3.037 20 0 EGADMP Cc1[nH+]ccn1-c1cncc(NCCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000092890918 454649602 /nfs/dbraw/zinc/64/96/02/454649602.db2.gz XGXZUCLJOLDQMG-OAHLLOKOSA-N 2 1 328.464 3.037 20 0 EGADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(C)ccc1OC ZINC000093405502 454712204 /nfs/dbraw/zinc/71/22/04/454712204.db2.gz IOEGYSWWBMMZNC-IBGZPJMESA-N 2 1 333.520 3.072 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cnn(C)c3)CC2)cs1 ZINC000161782471 454723120 /nfs/dbraw/zinc/72/31/20/454723120.db2.gz ZMQMJEXLTZTCQH-CQSZACIVSA-N 2 1 347.532 3.002 20 0 EGADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccccc3C)CC2)[C@H](C)C1 ZINC000162138232 454753807 /nfs/dbraw/zinc/75/38/07/454753807.db2.gz WOLGFSLPPZEUFC-WIYYLYMNSA-N 3 1 329.532 3.279 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000153085323 454758627 /nfs/dbraw/zinc/75/86/27/454758627.db2.gz QVORWJRKTAUIDA-UHFFFAOYSA-N 2 1 345.531 3.134 20 0 EGADMP CCCC[C@@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000125026309 454791581 /nfs/dbraw/zinc/79/15/81/454791581.db2.gz DVVMMTYOLPNNFF-QGZVFWFLSA-N 2 1 347.503 3.016 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000177168447 454831260 /nfs/dbraw/zinc/83/12/60/454831260.db2.gz OMFWWKGRNHIXMY-UHFFFAOYSA-N 2 1 341.503 3.211 20 0 EGADMP Cc1ccc(NC(=O)C2(C[NH2+]C3CC[NH+](C)CC3)CCCC2)cc1C ZINC000177603391 454882273 /nfs/dbraw/zinc/88/22/73/454882273.db2.gz XMLAHHGOWUYNMA-UHFFFAOYSA-N 2 1 343.515 3.486 20 0 EGADMP C[NH+](C)C[C@H](O)C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000154354853 454888384 /nfs/dbraw/zinc/88/83/84/454888384.db2.gz JFCCXJGZHTUQGS-RTBURBONSA-N 2 1 332.875 3.136 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC1CCCC1 ZINC000165133521 454895157 /nfs/dbraw/zinc/89/51/57/454895157.db2.gz FVUCTQDELJYVGJ-YJBOKZPZSA-N 2 1 332.488 3.446 20 0 EGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C(C)(C)O1 ZINC000165335525 454899339 /nfs/dbraw/zinc/89/93/39/454899339.db2.gz UPLFMLRPPVKDSB-RBUKOAKNSA-N 2 1 330.516 3.487 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNC[C@H]1CCC[N@H+]1C ZINC000166364238 454910625 /nfs/dbraw/zinc/91/06/25/454910625.db2.gz KDOBUIUFIIAVGO-QGZVFWFLSA-N 2 1 332.879 3.326 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNC[C@H]1CCC[N@@H+]1C ZINC000166364238 454910631 /nfs/dbraw/zinc/91/06/31/454910631.db2.gz KDOBUIUFIIAVGO-QGZVFWFLSA-N 2 1 332.879 3.326 20 0 EGADMP C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)CC1CC[NH+](C)CC1 ZINC000154795062 454929847 /nfs/dbraw/zinc/92/98/47/454929847.db2.gz MXWZVYCZBQLWAV-UHFFFAOYSA-N 2 1 330.394 3.401 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000151103698 454938228 /nfs/dbraw/zinc/93/82/28/454938228.db2.gz CDWWSPJLXJZJOO-GJZGRUSLSA-N 2 1 329.488 3.299 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000127408675 454962479 /nfs/dbraw/zinc/96/24/79/454962479.db2.gz GGBJFIWURSAEIH-UHFFFAOYSA-N 2 1 327.472 3.389 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000127408675 454962481 /nfs/dbraw/zinc/96/24/81/454962481.db2.gz GGBJFIWURSAEIH-UHFFFAOYSA-N 2 1 327.472 3.389 20 0 EGADMP [NH3+]Cc1nc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)cs1 ZINC000178742238 454971622 /nfs/dbraw/zinc/97/16/22/454971622.db2.gz FFMFAUPOFYWBKH-UHFFFAOYSA-N 2 1 344.484 3.230 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2=Cc3ccccc3OC2)[C@H](C)C1 ZINC000115628788 455024045 /nfs/dbraw/zinc/02/40/45/455024045.db2.gz DGQMQFOQEMDJIG-YLJYHZDGSA-N 2 1 344.499 3.189 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000155671120 455028977 /nfs/dbraw/zinc/02/89/77/455028977.db2.gz ZGAUGDQTOKQJIA-YLJYHZDGSA-N 2 1 329.532 3.143 20 0 EGADMP CC[N@H+]1CC[C@@H](NCC(C)(C)[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000155671120 455028982 /nfs/dbraw/zinc/02/89/82/455028982.db2.gz ZGAUGDQTOKQJIA-YLJYHZDGSA-N 2 1 329.532 3.143 20 0 EGADMP CC[NH+]1CC[C@@H](NCC(C)(C)[N@@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000155671120 455028985 /nfs/dbraw/zinc/02/89/85/455028985.db2.gz ZGAUGDQTOKQJIA-YLJYHZDGSA-N 2 1 329.532 3.143 20 0 EGADMP CC[NH+]1CC[C@@H](NCC(C)(C)[N@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000155671120 455028988 /nfs/dbraw/zinc/02/89/88/455028988.db2.gz ZGAUGDQTOKQJIA-YLJYHZDGSA-N 2 1 329.532 3.143 20 0 EGADMP C[C@@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(F)cc(F)c1 ZINC000151791810 455031228 /nfs/dbraw/zinc/03/12/28/455031228.db2.gz LMKDRFMNQVOCMU-VLIAUNLRSA-N 2 1 346.421 3.035 20 0 EGADMP C[C@@H](NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(F)cc(F)c1 ZINC000151791810 455031231 /nfs/dbraw/zinc/03/12/31/455031231.db2.gz LMKDRFMNQVOCMU-VLIAUNLRSA-N 2 1 346.421 3.035 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000179399044 455044603 /nfs/dbraw/zinc/04/46/03/455044603.db2.gz HHNNELMFJBYOEB-GOSISDBHSA-N 2 1 340.471 3.322 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000179399044 455044604 /nfs/dbraw/zinc/04/46/04/455044604.db2.gz HHNNELMFJBYOEB-GOSISDBHSA-N 2 1 340.471 3.322 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000179446256 455048661 /nfs/dbraw/zinc/04/86/61/455048661.db2.gz IVPMZWRSNSVFIQ-CMJOXMDJSA-N 2 1 333.501 3.402 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000179446256 455048663 /nfs/dbraw/zinc/04/86/63/455048663.db2.gz IVPMZWRSNSVFIQ-CMJOXMDJSA-N 2 1 333.501 3.402 20 0 EGADMP CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000116396402 455055429 /nfs/dbraw/zinc/05/54/29/455055429.db2.gz OREKQMWNHJCSIY-YJBOKZPZSA-N 2 1 349.519 3.368 20 0 EGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000155898793 455059386 /nfs/dbraw/zinc/05/93/86/455059386.db2.gz YVJINVHDZUEZFP-UHFFFAOYSA-N 2 1 343.471 3.099 20 0 EGADMP CCN(CC)C(=O)C1([NH2+]CCCCn2cc[nH+]c2C)CCCCC1 ZINC000128697777 455077787 /nfs/dbraw/zinc/07/77/87/455077787.db2.gz ZSOVGIZVKGTLLF-UHFFFAOYSA-N 2 1 334.508 3.133 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CCN([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000152145791 455078830 /nfs/dbraw/zinc/07/88/30/455078830.db2.gz IYHUZDPWXWEMCM-GJZGRUSLSA-N 2 1 344.459 3.080 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623655081 460661677 /nfs/dbraw/zinc/66/16/77/460661677.db2.gz OCFNQIARHXRULU-SFHVURJKSA-N 2 1 326.488 3.311 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623655081 460661684 /nfs/dbraw/zinc/66/16/84/460661684.db2.gz OCFNQIARHXRULU-SFHVURJKSA-N 2 1 326.488 3.311 20 0 EGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000129100281 455097383 /nfs/dbraw/zinc/09/73/83/455097383.db2.gz SDHIRDPATHCEFN-JQWIXIFHSA-N 2 1 330.259 3.134 20 0 EGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000623655777 460662330 /nfs/dbraw/zinc/66/23/30/460662330.db2.gz FCWJMCOUGCKWTM-INIZCTEOSA-N 2 1 346.906 3.406 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000623655777 460662339 /nfs/dbraw/zinc/66/23/39/460662339.db2.gz FCWJMCOUGCKWTM-INIZCTEOSA-N 2 1 346.906 3.406 20 0 EGADMP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(-c2ccnn2C)c1 ZINC000623657725 460665919 /nfs/dbraw/zinc/66/59/19/460665919.db2.gz XOXZJJSOKSSCCV-QGZVFWFLSA-N 2 1 326.488 3.217 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000152390095 455111886 /nfs/dbraw/zinc/11/18/86/455111886.db2.gz FHQNWQUPGSFQOR-GJZGRUSLSA-N 2 1 342.487 3.105 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(COCC)c2)C1 ZINC000180003163 455113988 /nfs/dbraw/zinc/11/39/88/455113988.db2.gz RCVPUFFDEDERLT-SFHVURJKSA-N 2 1 334.504 3.395 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(COCC)c2)C1 ZINC000180003163 455113992 /nfs/dbraw/zinc/11/39/92/455113992.db2.gz RCVPUFFDEDERLT-SFHVURJKSA-N 2 1 334.504 3.395 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)c(COCC)c2)C1 ZINC000180003163 455113997 /nfs/dbraw/zinc/11/39/97/455113997.db2.gz RCVPUFFDEDERLT-SFHVURJKSA-N 2 1 334.504 3.395 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(COCC)c2)C1 ZINC000180003163 455114001 /nfs/dbraw/zinc/11/40/01/455114001.db2.gz RCVPUFFDEDERLT-SFHVURJKSA-N 2 1 334.504 3.395 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CCOC[C@@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000152585150 455139764 /nfs/dbraw/zinc/13/97/64/455139764.db2.gz DSJMZTMSCDXXCT-GIVPXCGWSA-N 2 1 346.515 3.167 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CCOC[C@@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000152585150 455139767 /nfs/dbraw/zinc/13/97/67/455139767.db2.gz DSJMZTMSCDXXCT-GIVPXCGWSA-N 2 1 346.515 3.167 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)CCOC[C@@H]2CCCO2)CC[NH+]1Cc1ccccc1 ZINC000152585150 455139772 /nfs/dbraw/zinc/13/97/72/455139772.db2.gz DSJMZTMSCDXXCT-GIVPXCGWSA-N 2 1 346.515 3.167 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOC[C@@H]2CCCO2)CC[NH+]1Cc1ccccc1 ZINC000152585150 455139774 /nfs/dbraw/zinc/13/97/74/455139774.db2.gz DSJMZTMSCDXXCT-GIVPXCGWSA-N 2 1 346.515 3.167 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000156826270 455152086 /nfs/dbraw/zinc/15/20/86/455152086.db2.gz DRBCEEBPENKAFH-MRXNPFEDSA-N 2 1 334.504 3.361 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000264035401 455187336 /nfs/dbraw/zinc/18/73/36/455187336.db2.gz AMOSDFSQSPSIKM-UHFFFAOYSA-N 2 1 331.504 3.085 20 0 EGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)CC3 ZINC000180543517 455193794 /nfs/dbraw/zinc/19/37/94/455193794.db2.gz IKFJLRHNTUSDLD-MRXNPFEDSA-N 2 1 341.499 3.034 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000183440855 455292375 /nfs/dbraw/zinc/29/23/75/455292375.db2.gz TUFHYFJKTZPSSK-DLBZAZTESA-N 2 1 339.524 3.098 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC[NH+]1C ZINC000157625625 455214043 /nfs/dbraw/zinc/21/40/43/455214043.db2.gz HQWFJLQMKQYIQO-WAOWUJCRSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC[C@H](C)C2)CC[N@@H+]1C ZINC000157625625 455214046 /nfs/dbraw/zinc/21/40/46/455214046.db2.gz HQWFJLQMKQYIQO-WAOWUJCRSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC[C@H](C)C2)CC[N@H+]1C ZINC000157625625 455214049 /nfs/dbraw/zinc/21/40/49/455214049.db2.gz HQWFJLQMKQYIQO-WAOWUJCRSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)CCN1C ZINC000157625625 455214053 /nfs/dbraw/zinc/21/40/53/455214053.db2.gz HQWFJLQMKQYIQO-WAOWUJCRSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CCN1C ZINC000157625625 455214057 /nfs/dbraw/zinc/21/40/57/455214057.db2.gz HQWFJLQMKQYIQO-WAOWUJCRSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[C@H](NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC[NH+]1C ZINC000157625625 455214061 /nfs/dbraw/zinc/21/40/61/455214061.db2.gz HQWFJLQMKQYIQO-WAOWUJCRSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[C@H](NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC[NH+]1C ZINC000157625625 455214063 /nfs/dbraw/zinc/21/40/63/455214063.db2.gz HQWFJLQMKQYIQO-WAOWUJCRSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[C@H](NCc2ccccc2C[NH+]2CCC[C@H](C)C2)CC[N@@H+]1C ZINC000157625625 455214066 /nfs/dbraw/zinc/21/40/66/455214066.db2.gz HQWFJLQMKQYIQO-WAOWUJCRSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[C@H](NCc2ccccc2C[NH+]2CCC[C@H](C)C2)CC[N@H+]1C ZINC000157625625 455214070 /nfs/dbraw/zinc/21/40/70/455214070.db2.gz HQWFJLQMKQYIQO-WAOWUJCRSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245439322 455300583 /nfs/dbraw/zinc/30/05/83/455300583.db2.gz ZJWNCFWLHYKYQG-IXDOHACOSA-N 2 1 335.536 3.161 20 0 EGADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000245606415 455339275 /nfs/dbraw/zinc/33/92/75/455339275.db2.gz NHRYMRIKZVLFFW-BXWFABGCSA-N 2 1 340.471 3.356 20 0 EGADMP CN(C(=O)C[C@@H]1C=CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245737274 455369051 /nfs/dbraw/zinc/36/90/51/455369051.db2.gz TYXHMSWRNUBONY-MISYRCLQSA-N 2 1 347.547 3.138 20 0 EGADMP C[C@H](CC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)[NH+]1CCCCC1 ZINC000184508646 455393640 /nfs/dbraw/zinc/39/36/40/455393640.db2.gz FUXIVVSEGBSTAX-CVEARBPZSA-N 2 1 338.517 3.005 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(N(C)CC)nc2)CC1 ZINC000191228860 455467414 /nfs/dbraw/zinc/46/74/14/455467414.db2.gz ZRGISTUEJGKKPJ-UHFFFAOYSA-N 2 1 332.536 3.482 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(SC(F)F)cc1 ZINC000266900038 455471609 /nfs/dbraw/zinc/47/16/09/455471609.db2.gz GFXJKJFINBLYQI-UHFFFAOYSA-N 2 1 343.487 3.071 20 0 EGADMP CCCn1ccnc1CCC[N@@H+](C)[C@H](C)C(=O)NCC1CCCCC1 ZINC000191476471 455489098 /nfs/dbraw/zinc/48/90/98/455489098.db2.gz WOGHTBFHZMSRKR-QGZVFWFLSA-N 2 1 348.535 3.243 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)NCC1CCCCC1 ZINC000191476471 455489106 /nfs/dbraw/zinc/48/91/06/455489106.db2.gz WOGHTBFHZMSRKR-QGZVFWFLSA-N 2 1 348.535 3.243 20 0 EGADMP C[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246530079 455505636 /nfs/dbraw/zinc/50/56/36/455505636.db2.gz JMTRVANPRUSKAE-CEXWTWQISA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000246832501 455528466 /nfs/dbraw/zinc/52/84/66/455528466.db2.gz BTIOXDBXXIVDKI-YXYSEUPNSA-N 2 1 331.548 3.258 20 0 EGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000246945676 455537310 /nfs/dbraw/zinc/53/73/10/455537310.db2.gz HZRCKXCTKAOASZ-YRNRMSPPSA-N 2 1 332.488 3.162 20 0 EGADMP CCCC[C@@H](COC)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000247028802 455546407 /nfs/dbraw/zinc/54/64/07/455546407.db2.gz MBSBJFSKJDWHQB-PXNSSMCTSA-N 2 1 334.504 3.202 20 0 EGADMP CCCC[C@@H](COC)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000247028802 455546411 /nfs/dbraw/zinc/54/64/11/455546411.db2.gz MBSBJFSKJDWHQB-PXNSSMCTSA-N 2 1 334.504 3.202 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)[C@@H](C)C1 ZINC000247081833 455556214 /nfs/dbraw/zinc/55/62/14/455556214.db2.gz QXUSBGBOZMGWKV-MAUKXSAKSA-N 2 1 341.455 3.352 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1C ZINC000247082860 455557047 /nfs/dbraw/zinc/55/70/47/455557047.db2.gz XCAVNXLTZZSUEY-MSOLQXFVSA-N 2 1 343.515 3.019 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)[C@@H](C)C1 ZINC000247085796 455557767 /nfs/dbraw/zinc/55/77/67/455557767.db2.gz RGFXADUSJZYPMT-LAUBAEHRSA-N 2 1 340.515 3.433 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000247104369 455559456 /nfs/dbraw/zinc/55/94/56/455559456.db2.gz SOBIBVVFGMZKDZ-RTBURBONSA-N 2 1 347.547 3.398 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000247104369 455559460 /nfs/dbraw/zinc/55/94/60/455559460.db2.gz SOBIBVVFGMZKDZ-RTBURBONSA-N 2 1 347.547 3.398 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000247104369 455559463 /nfs/dbraw/zinc/55/94/63/455559463.db2.gz SOBIBVVFGMZKDZ-RTBURBONSA-N 2 1 347.547 3.398 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185708344 455602176 /nfs/dbraw/zinc/60/21/76/455602176.db2.gz SEVKRNZLZHXBJN-NJSLBKSFSA-N 2 1 338.442 3.241 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(F)c1 ZINC000185730606 455608388 /nfs/dbraw/zinc/60/83/88/455608388.db2.gz JETOCIDPSZWMCV-YOEHRIQHSA-N 2 1 348.462 3.355 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(F)c1 ZINC000185730606 455608393 /nfs/dbraw/zinc/60/83/93/455608393.db2.gz JETOCIDPSZWMCV-YOEHRIQHSA-N 2 1 348.462 3.355 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000268197556 455615336 /nfs/dbraw/zinc/61/53/36/455615336.db2.gz YJUQHDOZIQWJLZ-UHFFFAOYSA-N 2 1 329.835 3.415 20 0 EGADMP COC(=O)C1CCC([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000192439172 455616229 /nfs/dbraw/zinc/61/62/29/455616229.db2.gz GKNAQWHKZQRDHV-UHFFFAOYSA-N 2 1 332.488 3.348 20 0 EGADMP COc1ccccc1OCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185761117 455617427 /nfs/dbraw/zinc/61/74/27/455617427.db2.gz ZLKZPYWAIWBSHR-SJORKVTESA-N 2 1 332.488 3.317 20 0 EGADMP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000283979670 455619633 /nfs/dbraw/zinc/61/96/33/455619633.db2.gz CQLOALDZODCCOX-WBVHZDCISA-N 2 1 338.517 3.005 20 0 EGADMP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000283979670 455619636 /nfs/dbraw/zinc/61/96/36/455619636.db2.gz CQLOALDZODCCOX-WBVHZDCISA-N 2 1 338.517 3.005 20 0 EGADMP Cc1ccoc1C[N@@H+](C)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000292289418 455620502 /nfs/dbraw/zinc/62/05/02/455620502.db2.gz MBHANEUBMRGJIQ-MRXNPFEDSA-N 2 1 327.428 3.047 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000192516207 455634493 /nfs/dbraw/zinc/63/44/93/455634493.db2.gz XTYMLTSFNFJZKM-OAQYLSRUSA-N 2 1 339.483 3.017 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n(C)n1 ZINC000284218607 455653569 /nfs/dbraw/zinc/65/35/69/455653569.db2.gz HDLBQSKTDJZKTL-SESVDKBCSA-N 2 1 338.499 3.119 20 0 EGADMP CCN(CC)C(=O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271487065 455656542 /nfs/dbraw/zinc/65/65/42/455656542.db2.gz OKOJQNZMZUNVEQ-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP CCN(CC)C(=O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271487065 455656547 /nfs/dbraw/zinc/65/65/47/455656547.db2.gz OKOJQNZMZUNVEQ-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP C[C@H](COCC(F)(F)F)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000271494277 455659370 /nfs/dbraw/zinc/65/93/70/455659370.db2.gz PMXSQYBBHKTNDT-OAHLLOKOSA-N 2 1 344.421 3.251 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1cccc(OC)c1 ZINC000247981592 455665155 /nfs/dbraw/zinc/66/51/55/455665155.db2.gz MWRLAULIQMHGBW-HRQSHJORSA-N 2 1 347.547 3.396 20 0 EGADMP CC(C)CC[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247993833 455667895 /nfs/dbraw/zinc/66/78/95/455667895.db2.gz JSLXWKGUQYZPAX-FXAWDEMLSA-N 2 1 345.531 3.298 20 0 EGADMP COc1ccccc1[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCCC1 ZINC000248022547 455671171 /nfs/dbraw/zinc/67/11/71/455671171.db2.gz OCAPAWGROOCEQG-CUDHKJQZSA-N 2 1 345.531 3.150 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)N1CCCC1 ZINC000248022547 455671179 /nfs/dbraw/zinc/67/11/79/455671179.db2.gz OCAPAWGROOCEQG-CUDHKJQZSA-N 2 1 345.531 3.150 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)N1CCCC1 ZINC000248022547 455671185 /nfs/dbraw/zinc/67/11/85/455671185.db2.gz OCAPAWGROOCEQG-CUDHKJQZSA-N 2 1 345.531 3.150 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000248119498 455682557 /nfs/dbraw/zinc/68/25/57/455682557.db2.gz NEMGJQOPHGJTDC-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(-c3cccnc3)c2)CCCO1 ZINC000277846672 455683981 /nfs/dbraw/zinc/68/39/81/455683981.db2.gz MHKRUGVHBHOHQI-GOSISDBHSA-N 2 1 339.483 3.339 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OCC)C23CCC3)[C@@H](C)C1 ZINC000248136839 455686926 /nfs/dbraw/zinc/68/69/26/455686926.db2.gz PDZYZJORDDQKSD-INDMIFKZSA-N 2 1 338.536 3.061 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)cc1 ZINC000271570564 455687992 /nfs/dbraw/zinc/68/79/92/455687992.db2.gz VQGXCSMZSIZCFV-NHYWBVRUSA-N 2 1 327.350 3.145 20 0 EGADMP CC(C)Oc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000248168617 455692208 /nfs/dbraw/zinc/69/22/08/455692208.db2.gz UGWUOKRCPXCSPL-HKUYNNGSSA-N 2 1 334.504 3.361 20 0 EGADMP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000248202195 455698646 /nfs/dbraw/zinc/69/86/46/455698646.db2.gz ZBIZNBVZKXYVJD-HMXCVIKNSA-N 2 1 344.547 3.146 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000248202195 455698653 /nfs/dbraw/zinc/69/86/53/455698653.db2.gz ZBIZNBVZKXYVJD-HMXCVIKNSA-N 2 1 344.547 3.146 20 0 EGADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248202195 455698656 /nfs/dbraw/zinc/69/86/56/455698656.db2.gz ZBIZNBVZKXYVJD-HMXCVIKNSA-N 2 1 344.547 3.146 20 0 EGADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248202195 455698662 /nfs/dbraw/zinc/69/86/62/455698662.db2.gz ZBIZNBVZKXYVJD-HMXCVIKNSA-N 2 1 344.547 3.146 20 0 EGADMP OCc1cccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000268885454 455718051 /nfs/dbraw/zinc/71/80/51/455718051.db2.gz NVMFAMUMKSTFEB-UHFFFAOYSA-N 2 1 342.458 3.115 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cccc(N2CCCC2=O)c1 ZINC000271789509 455760829 /nfs/dbraw/zinc/76/08/29/455760829.db2.gz JUBPGOACLFOUKF-SJLPKXTDSA-N 2 1 329.488 3.338 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cccc(N2CCCC2=O)c1 ZINC000271789509 455760832 /nfs/dbraw/zinc/76/08/32/455760832.db2.gz JUBPGOACLFOUKF-SJLPKXTDSA-N 2 1 329.488 3.338 20 0 EGADMP CC(C)CNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000249767331 455774582 /nfs/dbraw/zinc/77/45/82/455774582.db2.gz QFBNXRVRGUJYTN-QZTJIDSGSA-N 2 1 345.531 3.311 20 0 EGADMP Fc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000252674117 455827150 /nfs/dbraw/zinc/82/71/50/455827150.db2.gz OZQKAOCPVYUVEA-STQMWFEESA-N 2 1 327.241 3.305 20 0 EGADMP Fc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000252674117 455827151 /nfs/dbraw/zinc/82/71/51/455827151.db2.gz OZQKAOCPVYUVEA-STQMWFEESA-N 2 1 327.241 3.305 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000272101301 455846314 /nfs/dbraw/zinc/84/63/14/455846314.db2.gz ZTJQPKUSGHXZET-LJQANCHMSA-N 2 1 327.428 3.094 20 0 EGADMP C[N@@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285455733 455849059 /nfs/dbraw/zinc/84/90/59/455849059.db2.gz JLJLSGPTVDNVKV-PJEZACDQSA-N 2 1 338.495 3.300 20 0 EGADMP C[NH+](C[C@@H](O)Cc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285455733 455849067 /nfs/dbraw/zinc/84/90/67/455849067.db2.gz JLJLSGPTVDNVKV-PJEZACDQSA-N 2 1 338.495 3.300 20 0 EGADMP C[NH+](C[C@@H](O)Cc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285455733 455849072 /nfs/dbraw/zinc/84/90/72/455849072.db2.gz JLJLSGPTVDNVKV-PJEZACDQSA-N 2 1 338.495 3.300 20 0 EGADMP C[C@H](C[S@](C)=O)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000285490288 455857007 /nfs/dbraw/zinc/85/70/07/455857007.db2.gz AHBMSKPEKOERHG-UYVXCEDXSA-N 2 1 348.556 3.034 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000285505237 455860858 /nfs/dbraw/zinc/86/08/58/455860858.db2.gz CYBOLDXKAKDEKS-BZUAXINKSA-N 2 1 345.487 3.036 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4CCOCC4)[C@H]3C2)cc1 ZINC000285507983 455860896 /nfs/dbraw/zinc/86/08/96/455860896.db2.gz ALIYATOSSHTNKY-SESVDKBCSA-N 2 1 328.500 3.446 20 0 EGADMP Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000285587175 455876206 /nfs/dbraw/zinc/87/62/06/455876206.db2.gz HQDAFBJKMNHHBP-ZAWLATJESA-N 2 1 336.426 3.481 20 0 EGADMP COCCOCCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285590280 455876571 /nfs/dbraw/zinc/87/65/71/455876571.db2.gz JECNACDCHGKOGY-UHFFFAOYSA-N 2 1 334.504 3.072 20 0 EGADMP C[C@@H](NCCC[N@@H+](C)C1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285665960 455891403 /nfs/dbraw/zinc/89/14/03/455891403.db2.gz NCWWXMBRZAXSEH-OAHLLOKOSA-N 2 1 345.487 3.323 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285665960 455891408 /nfs/dbraw/zinc/89/14/08/455891408.db2.gz NCWWXMBRZAXSEH-OAHLLOKOSA-N 2 1 345.487 3.323 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285665960 455891411 /nfs/dbraw/zinc/89/14/11/455891411.db2.gz NCWWXMBRZAXSEH-OAHLLOKOSA-N 2 1 345.487 3.323 20 0 EGADMP COc1ccc2nc(C[N@H+](C)CCCn3cc[nH+]c3C)sc2c1 ZINC000187309654 455893038 /nfs/dbraw/zinc/89/30/38/455893038.db2.gz KANVRXHXYKVVLY-UHFFFAOYSA-N 2 1 330.457 3.332 20 0 EGADMP COc1ccc2nc(C[N@@H+](C)CCCn3cc[nH+]c3C)sc2c1 ZINC000187309654 455893044 /nfs/dbraw/zinc/89/30/44/455893044.db2.gz KANVRXHXYKVVLY-UHFFFAOYSA-N 2 1 330.457 3.332 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272307522 455909498 /nfs/dbraw/zinc/90/94/98/455909498.db2.gz IDFXZKZSRCJZRL-CMKODMSKSA-N 2 1 345.531 3.134 20 0 EGADMP CCN(CCCNC(=O)[C@H](N)c1ccc(C)cc1)c1ccccc1 ZINC000261603372 455911030 /nfs/dbraw/zinc/91/10/30/455911030.db2.gz CCFAEFUJNSAFDS-LJQANCHMSA-N 2 1 325.456 3.028 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CC[C@@H]2CC[NH2+]C2)c1 ZINC000261699724 455929904 /nfs/dbraw/zinc/92/99/04/455929904.db2.gz COOWYUPQFXJOJG-MRXNPFEDSA-N 2 1 340.471 3.383 20 0 EGADMP COc1cccc([C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)N(C)C)c1 ZINC000261701838 455930958 /nfs/dbraw/zinc/93/09/58/455930958.db2.gz OTOFFZBCPOZQKD-ZCNNSNEGSA-N 2 1 325.456 3.032 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272380766 455932788 /nfs/dbraw/zinc/93/27/88/455932788.db2.gz WHGODXSAIBMDMA-XKGZKEIXSA-N 2 1 338.499 3.298 20 0 EGADMP CC[NH+](CC)CCC[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000187673075 455936562 /nfs/dbraw/zinc/93/65/62/455936562.db2.gz NBPGGZHOHNDDKT-UHFFFAOYSA-N 2 1 327.513 3.050 20 0 EGADMP c1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000261728993 455936797 /nfs/dbraw/zinc/93/67/97/455936797.db2.gz RNQZSCPWDAYBMS-MHTWAQMVSA-N 2 1 327.516 3.334 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000285934185 455945193 /nfs/dbraw/zinc/94/51/93/455945193.db2.gz LWPCDLBYVTXTBY-AQNXPRMDSA-N 2 1 325.456 3.086 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000285934185 455945199 /nfs/dbraw/zinc/94/51/99/455945199.db2.gz LWPCDLBYVTXTBY-AQNXPRMDSA-N 2 1 325.456 3.086 20 0 EGADMP Cc1nn(C)c(C)c1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272441444 455952997 /nfs/dbraw/zinc/95/29/97/455952997.db2.gz ISHQARVRKNPJFZ-DNVCBOLYSA-N 2 1 326.488 3.037 20 0 EGADMP Cc1nn(C)c(C)c1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272441445 455953082 /nfs/dbraw/zinc/95/30/82/455953082.db2.gz ISHQARVRKNPJFZ-HNAYVOBHSA-N 2 1 326.488 3.037 20 0 EGADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000272511297 455976920 /nfs/dbraw/zinc/97/69/20/455976920.db2.gz GJHKSPZNIVITEO-PWRODBHTSA-N 3 1 341.543 3.219 20 0 EGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000188118665 456001458 /nfs/dbraw/zinc/00/14/58/456001458.db2.gz MXNGXGJUTZEKOU-HIFRSBDPSA-N 2 1 337.305 3.454 20 0 EGADMP C[C@H]1C[C@@H](C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]1 ZINC000262356479 456028028 /nfs/dbraw/zinc/02/80/28/456028028.db2.gz HYRGAEYSTOSDFR-BQFCYCMXSA-N 2 1 329.488 3.388 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286345256 456029025 /nfs/dbraw/zinc/02/90/25/456029025.db2.gz ZAGBCKHOVJYZHD-ZWKOTPCHSA-N 2 1 341.503 3.286 20 0 EGADMP Cc1cnn(C)c1CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000286392985 456039540 /nfs/dbraw/zinc/03/95/40/456039540.db2.gz HCLGGTHYPZWOIP-UHFFFAOYSA-N 2 1 341.503 3.119 20 0 EGADMP O=C(CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000262476903 456040011 /nfs/dbraw/zinc/04/00/11/456040011.db2.gz JQJGJPFVODYHTC-MRXNPFEDSA-N 2 1 342.270 3.007 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000270904489 456064017 /nfs/dbraw/zinc/06/40/17/456064017.db2.gz RRSAUXJUQRQACX-OAHLLOKOSA-N 2 1 330.501 3.406 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000270904489 456064024 /nfs/dbraw/zinc/06/40/24/456064024.db2.gz RRSAUXJUQRQACX-OAHLLOKOSA-N 2 1 330.501 3.406 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)CCc1cnccn1 ZINC000272812568 456076372 /nfs/dbraw/zinc/07/63/72/456076372.db2.gz NQFDFVQUIPOIMX-UHFFFAOYSA-N 2 1 326.488 3.109 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)CCc1cnccn1 ZINC000272812568 456076381 /nfs/dbraw/zinc/07/63/81/456076381.db2.gz NQFDFVQUIPOIMX-UHFFFAOYSA-N 2 1 326.488 3.109 20 0 EGADMP C[NH+](CCc1cnccn1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000272812568 456076385 /nfs/dbraw/zinc/07/63/85/456076385.db2.gz NQFDFVQUIPOIMX-UHFFFAOYSA-N 2 1 326.488 3.109 20 0 EGADMP C[NH+](CCc1cnccn1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000272812568 456076392 /nfs/dbraw/zinc/07/63/92/456076392.db2.gz NQFDFVQUIPOIMX-UHFFFAOYSA-N 2 1 326.488 3.109 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000263308776 456123975 /nfs/dbraw/zinc/12/39/75/456123975.db2.gz YGSRGQIFDDZRPS-RBAQFSTRSA-N 2 1 343.515 3.063 20 0 EGADMP C[NH+](C)C1CCN(CCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000301577060 456150530 /nfs/dbraw/zinc/15/05/30/456150530.db2.gz ZATQAXFTVCNGHR-UHFFFAOYSA-N 2 1 332.879 3.326 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000273041718 456156759 /nfs/dbraw/zinc/15/67/59/456156759.db2.gz WSIXDSLIVSNCEK-CQSZACIVSA-N 2 1 341.381 3.134 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000273041718 456156765 /nfs/dbraw/zinc/15/67/65/456156765.db2.gz WSIXDSLIVSNCEK-CQSZACIVSA-N 2 1 341.381 3.134 20 0 EGADMP CCN(Cc1c(C)n[nH]c1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000271183660 456160059 /nfs/dbraw/zinc/16/00/59/456160059.db2.gz LLEXUNALKBEDBV-LJQANCHMSA-N 2 1 326.488 3.371 20 0 EGADMP CC[N@@H+](Cc1c(C)n[nH]c1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000271183660 456160064 /nfs/dbraw/zinc/16/00/64/456160064.db2.gz LLEXUNALKBEDBV-LJQANCHMSA-N 2 1 326.488 3.371 20 0 EGADMP CC[N@H+](Cc1c(C)n[nH]c1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000271183660 456160067 /nfs/dbraw/zinc/16/00/67/456160067.db2.gz LLEXUNALKBEDBV-LJQANCHMSA-N 2 1 326.488 3.371 20 0 EGADMP CN(Cc1ccc(Oc2cnccn2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289879499 456165322 /nfs/dbraw/zinc/16/53/22/456165322.db2.gz WBNCQPWOPVLAES-JWTNVVGKSA-N 2 1 338.455 3.326 20 0 EGADMP C[N@H+](Cc1ccc(Oc2cnccn2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289879499 456165327 /nfs/dbraw/zinc/16/53/27/456165327.db2.gz WBNCQPWOPVLAES-JWTNVVGKSA-N 2 1 338.455 3.326 20 0 EGADMP C[NH+](Cc1ccc(Oc2cnccn2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289879499 456165341 /nfs/dbraw/zinc/16/53/41/456165341.db2.gz WBNCQPWOPVLAES-JWTNVVGKSA-N 2 1 338.455 3.326 20 0 EGADMP CSc1cc2c(cc1C[N@@H+]1CC[C@H]3[C@H](CCC[NH+]3C)C1)OCCO2 ZINC000271251107 456192473 /nfs/dbraw/zinc/19/24/73/456192473.db2.gz DPYXUDHQZQYZDY-ZBFHGGJFSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[N@H+]1CC[C@H]3[C@H](CCC[NH+]3C)C1)OCCO2 ZINC000271251107 456192476 /nfs/dbraw/zinc/19/24/76/456192476.db2.gz DPYXUDHQZQYZDY-ZBFHGGJFSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[NH+]1CC[C@H]3[C@H](CCC[N@@H+]3C)C1)OCCO2 ZINC000271251107 456192481 /nfs/dbraw/zinc/19/24/81/456192481.db2.gz DPYXUDHQZQYZDY-ZBFHGGJFSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[NH+]1CC[C@H]3[C@H](CCC[N@H+]3C)C1)OCCO2 ZINC000271251107 456192485 /nfs/dbraw/zinc/19/24/85/456192485.db2.gz DPYXUDHQZQYZDY-ZBFHGGJFSA-N 2 1 348.512 3.096 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CC[C@H]([NH3+])c2ccccc2)c1 ZINC000236876188 456196444 /nfs/dbraw/zinc/19/64/44/456196444.db2.gz AETMOGOHFKKNTA-FQEVSTJZSA-N 2 1 339.483 3.235 20 0 EGADMP CC[NH2+]CC1CCN(C(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)CC1 ZINC000237039382 456223843 /nfs/dbraw/zinc/22/38/43/456223843.db2.gz SRYZDUQUYWAFCH-UHFFFAOYSA-N 2 1 345.531 3.379 20 0 EGADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000290083466 456234863 /nfs/dbraw/zinc/23/48/63/456234863.db2.gz JAGSOWCCUBARTN-GFCCVEGCSA-N 2 1 341.268 3.371 20 0 EGADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000290083471 456236425 /nfs/dbraw/zinc/23/64/25/456236425.db2.gz JAGSOWCCUBARTN-LBPRGKRZSA-N 2 1 341.268 3.371 20 0 EGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000281504901 456252215 /nfs/dbraw/zinc/25/22/15/456252215.db2.gz GZCNULPFGNQAIV-QZTJIDSGSA-N 2 1 331.504 3.117 20 0 EGADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000635253886 460721951 /nfs/dbraw/zinc/72/19/51/460721951.db2.gz OACNRNRYNYURSK-IBGZPJMESA-N 2 1 329.488 3.484 20 0 EGADMP CC(C)n1cc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cn1 ZINC000290205384 456266025 /nfs/dbraw/zinc/26/60/25/456266025.db2.gz GYFIVCNRLSPGSH-INIZCTEOSA-N 2 1 345.491 3.040 20 0 EGADMP CCN1CC[NH+]([C@H](C)CNc2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302098203 456285640 /nfs/dbraw/zinc/28/56/40/456285640.db2.gz TWJOGRVMFGBWKT-OAHLLOKOSA-N 2 1 326.488 3.290 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(-c2ccccc2)n1 ZINC000290331611 456295554 /nfs/dbraw/zinc/29/55/54/456295554.db2.gz DUIMAFGLTZQEHH-LJQANCHMSA-N 2 1 338.499 3.251 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(Cc2ccccc2CO)CC1 ZINC000347683151 456303865 /nfs/dbraw/zinc/30/38/65/456303865.db2.gz QBIMSMVCPAHNNS-OAQYLSRUSA-N 2 1 330.516 3.308 20 0 EGADMP Cc1nc(CC[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)cs1 ZINC000347708320 456318937 /nfs/dbraw/zinc/31/89/37/456318937.db2.gz PINNVCBWDZRWKI-UHFFFAOYSA-N 2 1 338.480 3.364 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+]CCCCCOc2ccccc2)CC1 ZINC000275821258 456322726 /nfs/dbraw/zinc/32/27/26/456322726.db2.gz RAPVXGXSUWDNJN-UHFFFAOYSA-N 2 1 347.547 3.243 20 0 EGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(C2CC2)c1 ZINC000340234227 456330023 /nfs/dbraw/zinc/33/00/23/456330023.db2.gz HPGDTTKLGKOXGF-KRWDZBQOSA-N 2 1 329.532 3.488 20 0 EGADMP C[C@H](O)c1ncc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000290471396 456337235 /nfs/dbraw/zinc/33/72/35/456337235.db2.gz UTUBDTIDGHNACI-ZOBUZTSGSA-N 2 1 345.512 3.197 20 0 EGADMP C[C@H](O)c1ncc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000290471396 456337240 /nfs/dbraw/zinc/33/72/40/456337240.db2.gz UTUBDTIDGHNACI-ZOBUZTSGSA-N 2 1 345.512 3.197 20 0 EGADMP CC(C)(C)OC(=O)CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352822932 456337910 /nfs/dbraw/zinc/33/79/10/456337910.db2.gz IVICRTIHMKYPKL-NRFANRHFSA-N 2 1 344.499 3.316 20 0 EGADMP CC(C)(C)OC(=O)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352822932 456337917 /nfs/dbraw/zinc/33/79/17/456337917.db2.gz IVICRTIHMKYPKL-NRFANRHFSA-N 2 1 344.499 3.316 20 0 EGADMP CC(C)(C)OC(=O)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352822932 456337929 /nfs/dbraw/zinc/33/79/29/456337929.db2.gz IVICRTIHMKYPKL-NRFANRHFSA-N 2 1 344.499 3.316 20 0 EGADMP CC(C)(C)OC(=O)CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352822932 456337936 /nfs/dbraw/zinc/33/79/36/456337936.db2.gz IVICRTIHMKYPKL-NRFANRHFSA-N 2 1 344.499 3.316 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CCCOCC2CCOCC2)C[C@H]1c1ccccc1 ZINC000340251406 456342511 /nfs/dbraw/zinc/34/25/11/456342511.db2.gz PMSCWMVSVVWSDK-SFTDATJTSA-N 2 1 346.515 3.245 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CCCOCC2CCOCC2)C[C@H]1c1ccccc1 ZINC000340251406 456342516 /nfs/dbraw/zinc/34/25/16/456342516.db2.gz PMSCWMVSVVWSDK-SFTDATJTSA-N 2 1 346.515 3.245 20 0 EGADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000347744130 456344394 /nfs/dbraw/zinc/34/43/94/456344394.db2.gz RJQQORZSXRWWCV-NQIIRXRSSA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000347744130 456344399 /nfs/dbraw/zinc/34/43/99/456344399.db2.gz RJQQORZSXRWWCV-NQIIRXRSSA-N 2 1 329.532 3.348 20 0 EGADMP CSc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)s1 ZINC000352831540 456345711 /nfs/dbraw/zinc/34/57/11/456345711.db2.gz DUHNRAZXWJOZMX-MRXNPFEDSA-N 2 1 348.537 3.326 20 0 EGADMP CCOCc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1OC ZINC000290542207 456359833 /nfs/dbraw/zinc/35/98/33/456359833.db2.gz RHGKAJJSIQFVQH-HKUYNNGSSA-N 2 1 332.488 3.148 20 0 EGADMP CCOCc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1OC ZINC000290542207 456359840 /nfs/dbraw/zinc/35/98/40/456359840.db2.gz RHGKAJJSIQFVQH-HKUYNNGSSA-N 2 1 332.488 3.148 20 0 EGADMP CCOCc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1OC ZINC000290542207 456359842 /nfs/dbraw/zinc/35/98/42/456359842.db2.gz RHGKAJJSIQFVQH-HKUYNNGSSA-N 2 1 332.488 3.148 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C[C@@H]1c1ccccc1 ZINC000340318733 456384844 /nfs/dbraw/zinc/38/48/44/456384844.db2.gz XDVHEPGOIUHTOZ-CENDIDJXSA-N 2 1 326.484 3.369 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C[C@@H]1c1ccccc1 ZINC000340318733 456384854 /nfs/dbraw/zinc/38/48/54/456384854.db2.gz XDVHEPGOIUHTOZ-CENDIDJXSA-N 2 1 326.484 3.369 20 0 EGADMP C[N@H+]1CC[C@H](NC[C@H]2CCCC[NH+]2C2CC2)C[C@H]1c1ccccc1 ZINC000340372207 456419357 /nfs/dbraw/zinc/41/93/57/456419357.db2.gz NPBKYGWBQLRGJM-TYPHKJRUSA-N 2 1 327.516 3.428 20 0 EGADMP C[NH+]1CC[C@H](NC[C@H]2CCCC[N@@H+]2C2CC2)C[C@H]1c1ccccc1 ZINC000340372207 456419360 /nfs/dbraw/zinc/41/93/60/456419360.db2.gz NPBKYGWBQLRGJM-TYPHKJRUSA-N 2 1 327.516 3.428 20 0 EGADMP C[NH+]1CC[C@H](NC[C@H]2CCCC[N@H+]2C2CC2)C[C@H]1c1ccccc1 ZINC000340372207 456419364 /nfs/dbraw/zinc/41/93/64/456419364.db2.gz NPBKYGWBQLRGJM-TYPHKJRUSA-N 2 1 327.516 3.428 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[C@@H]1c1ccccc1 ZINC000340371662 456419576 /nfs/dbraw/zinc/41/95/76/456419576.db2.gz DQFKZPCKMHZYJZ-RTBURBONSA-N 2 1 328.500 3.354 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[C@@H]1c1ccccc1 ZINC000340371662 456419583 /nfs/dbraw/zinc/41/95/83/456419583.db2.gz DQFKZPCKMHZYJZ-RTBURBONSA-N 2 1 328.500 3.354 20 0 EGADMP Brc1cccc(OCC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298317927 456422651 /nfs/dbraw/zinc/42/26/51/456422651.db2.gz IERQRGLCLQCXLC-UHFFFAOYSA-N 2 1 339.277 3.044 20 0 EGADMP Fc1ccc(SCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000343268495 456497970 /nfs/dbraw/zinc/49/79/70/456497970.db2.gz LGYQEVPCUJAACQ-RCCFBDPRSA-N 2 1 338.492 3.055 20 0 EGADMP COc1ccc([C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C(C)C)cc1 ZINC000282392126 456498806 /nfs/dbraw/zinc/49/88/06/456498806.db2.gz RESYRCBQXWIWGM-LJQANCHMSA-N 2 1 333.520 3.008 20 0 EGADMP Cc1cc(C)n(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000282407009 456504016 /nfs/dbraw/zinc/50/40/16/456504016.db2.gz FTIILQVIJZHFBT-FQEVSTJZSA-N 2 1 340.515 3.390 20 0 EGADMP Cc1cc(C)n(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000282407009 456504022 /nfs/dbraw/zinc/50/40/22/456504022.db2.gz FTIILQVIJZHFBT-FQEVSTJZSA-N 2 1 340.515 3.390 20 0 EGADMP CN(CC[C@H]1CCC[N@H+]1C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000348166493 456513190 /nfs/dbraw/zinc/51/31/90/456513190.db2.gz BZKJNKDLLNAVCZ-RTBURBONSA-N 2 1 330.451 3.065 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]CCCc2c(F)cccc2Cl)CC1(C)C ZINC000282456099 456521365 /nfs/dbraw/zinc/52/13/65/456521365.db2.gz VIXNHVBZEVJZRL-UHFFFAOYSA-N 2 1 341.902 3.027 20 0 EGADMP COc1ccc(C2(C[NH2+]Cc3c[nH+]ccc3N(C)C)CCC2)cc1 ZINC000353166402 456534995 /nfs/dbraw/zinc/53/49/95/456534995.db2.gz JOSKEZOSLWCGOY-UHFFFAOYSA-N 2 1 325.456 3.368 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000282582390 456559669 /nfs/dbraw/zinc/55/96/69/456559669.db2.gz ZTFWUQOYMBVBCY-PWIZWCRZSA-N 2 1 334.479 3.261 20 0 EGADMP COC(=O)C1CCC([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000310934585 456585097 /nfs/dbraw/zinc/58/50/97/456585097.db2.gz IDSRSPQVJOXAPH-IHJVYAAUSA-N 2 1 344.499 3.218 20 0 EGADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCC(F)(F)CC1 ZINC000353250766 456587325 /nfs/dbraw/zinc/58/73/25/456587325.db2.gz PJSLLMCIIOCIOH-HNNXBMFYSA-N 2 1 330.463 3.435 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)Cc2cccc(Cl)c2)CC1 ZINC000282771974 456620407 /nfs/dbraw/zinc/62/04/07/456620407.db2.gz WYYWGQHAALATMG-QGZVFWFLSA-N 2 1 337.939 3.278 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(-c2cnn(C)c2)no1 ZINC000348322248 456622065 /nfs/dbraw/zinc/62/20/65/456622065.db2.gz PMRRFLJBFDZFBY-QAPCUYQASA-N 2 1 345.491 3.065 20 0 EGADMP Cn1cc(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)s2)cn1 ZINC000282832945 456639472 /nfs/dbraw/zinc/63/94/72/456639472.db2.gz QRQZHFBBUMGJPW-HNNXBMFYSA-N 2 1 330.501 3.066 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)s2)cn1 ZINC000282832945 456639480 /nfs/dbraw/zinc/63/94/80/456639480.db2.gz QRQZHFBBUMGJPW-HNNXBMFYSA-N 2 1 330.501 3.066 20 0 EGADMP C[C@@]1(C[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)CC[NH2+]C1 ZINC000340713798 456644226 /nfs/dbraw/zinc/64/42/26/456644226.db2.gz NYTATLGIYDNZJM-MRXNPFEDSA-N 2 1 331.287 3.177 20 0 EGADMP C[C@@]1(C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)CC[NH2+]C1 ZINC000340713798 456644231 /nfs/dbraw/zinc/64/42/31/456644231.db2.gz NYTATLGIYDNZJM-MRXNPFEDSA-N 2 1 331.287 3.177 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000338004575 456650127 /nfs/dbraw/zinc/65/01/27/456650127.db2.gz VGSGREFDPANADI-QGZVFWFLSA-N 2 1 343.515 3.133 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000338004575 456650133 /nfs/dbraw/zinc/65/01/33/456650133.db2.gz VGSGREFDPANADI-QGZVFWFLSA-N 2 1 343.515 3.133 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000338004575 456650140 /nfs/dbraw/zinc/65/01/40/456650140.db2.gz VGSGREFDPANADI-QGZVFWFLSA-N 2 1 343.515 3.133 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000338106967 456662753 /nfs/dbraw/zinc/66/27/53/456662753.db2.gz ZFUPCMPANSJLLF-ICSRJNTNSA-N 2 1 341.499 3.028 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000338106967 456662762 /nfs/dbraw/zinc/66/27/62/456662762.db2.gz ZFUPCMPANSJLLF-ICSRJNTNSA-N 2 1 341.499 3.028 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000338106967 456662770 /nfs/dbraw/zinc/66/27/70/456662770.db2.gz ZFUPCMPANSJLLF-ICSRJNTNSA-N 2 1 341.499 3.028 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000324673287 456672057 /nfs/dbraw/zinc/67/20/57/456672057.db2.gz LNHBRTQWMICUNK-FQEVSTJZSA-N 2 1 329.532 3.013 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000324673287 456672065 /nfs/dbraw/zinc/67/20/65/456672065.db2.gz LNHBRTQWMICUNK-FQEVSTJZSA-N 3 1 329.532 3.013 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000324673287 456672072 /nfs/dbraw/zinc/67/20/72/456672072.db2.gz LNHBRTQWMICUNK-FQEVSTJZSA-N 3 1 329.532 3.013 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000324673290 456672417 /nfs/dbraw/zinc/67/24/17/456672417.db2.gz LNHBRTQWMICUNK-HXUWFJFHSA-N 2 1 329.532 3.013 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000324673290 456672423 /nfs/dbraw/zinc/67/24/23/456672423.db2.gz LNHBRTQWMICUNK-HXUWFJFHSA-N 3 1 329.532 3.013 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000324673290 456672431 /nfs/dbraw/zinc/67/24/31/456672431.db2.gz LNHBRTQWMICUNK-HXUWFJFHSA-N 3 1 329.532 3.013 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000353490401 456710275 /nfs/dbraw/zinc/71/02/75/456710275.db2.gz KZFYDCKXVGKSEQ-HBFSDRIKSA-N 2 1 332.536 3.002 20 0 EGADMP CCC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000353490401 456710278 /nfs/dbraw/zinc/71/02/78/456710278.db2.gz KZFYDCKXVGKSEQ-HBFSDRIKSA-N 2 1 332.536 3.002 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000343582672 456723224 /nfs/dbraw/zinc/72/32/24/456723224.db2.gz ZQEGFRZFUNEGJF-HXUWFJFHSA-N 2 1 343.515 3.277 20 0 EGADMP CCOC(=O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338322047 456770066 /nfs/dbraw/zinc/77/00/66/456770066.db2.gz SFTAZOKNMTZMRQ-SFHVURJKSA-N 2 1 332.488 3.220 20 0 EGADMP CCOC(=O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338322047 456770071 /nfs/dbraw/zinc/77/00/71/456770071.db2.gz SFTAZOKNMTZMRQ-SFHVURJKSA-N 2 1 332.488 3.220 20 0 EGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1O ZINC000277336302 456784530 /nfs/dbraw/zinc/78/45/30/456784530.db2.gz XUFOTNAVRWLEIC-LSDHHAIUSA-N 2 1 331.460 3.153 20 0 EGADMP c1cc2c(o1)CCC[NH+](CCOCC[N@H+]1CCCc3occc3C1)C2 ZINC000344287706 456812456 /nfs/dbraw/zinc/81/24/56/456812456.db2.gz RCCMZJHCEWTYPH-UHFFFAOYSA-N 2 1 344.455 3.086 20 0 EGADMP CC[C@@H](C[NH2+]Cc1ccc(C)cc1-c1cnn(C)c1)[NH+]1CCCC1 ZINC000338436357 456819220 /nfs/dbraw/zinc/81/92/20/456819220.db2.gz OLRBAAVDMNNKMF-IBGZPJMESA-N 2 1 326.488 3.360 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000341513097 456871855 /nfs/dbraw/zinc/87/18/55/456871855.db2.gz UFLPFDFLDQAKRX-KDURUIRLSA-N 3 1 344.547 3.004 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnn(-c4ccc(F)cc4)c3)C2)CC1 ZINC000349198302 456910915 /nfs/dbraw/zinc/91/09/15/456910915.db2.gz WSSSVZCNTHHGEG-SFHVURJKSA-N 2 1 342.462 3.175 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)CC1 ZINC000349199063 456911865 /nfs/dbraw/zinc/91/18/65/456911865.db2.gz XVMRPSJIVCYAIH-HNNXBMFYSA-N 2 1 330.501 3.302 20 0 EGADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000349208344 456913333 /nfs/dbraw/zinc/91/33/33/456913333.db2.gz LSQMJZITUCVLGF-LPHOPBHVSA-N 2 1 343.515 3.076 20 0 EGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccccc1N1CCOCC1 ZINC000349379159 456958052 /nfs/dbraw/zinc/95/80/52/456958052.db2.gz ALSKHAPRUSWYPX-UHFFFAOYSA-N 2 1 333.520 3.077 20 0 EGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccccc1N1CCOCC1 ZINC000349379159 456958054 /nfs/dbraw/zinc/95/80/54/456958054.db2.gz ALSKHAPRUSWYPX-UHFFFAOYSA-N 2 1 333.520 3.077 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccc(CNc3[nH+]cnc4[nH]ccc43)cc2)C1 ZINC000339141961 456960869 /nfs/dbraw/zinc/96/08/69/456960869.db2.gz VZPGGCBWMQVXRW-OAHLLOKOSA-N 2 1 335.455 3.224 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3[nH+]cnc4[nH]ccc43)cc2)C1 ZINC000339141961 456960871 /nfs/dbraw/zinc/96/08/71/456960871.db2.gz VZPGGCBWMQVXRW-OAHLLOKOSA-N 2 1 335.455 3.224 20 0 EGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000349445143 456968907 /nfs/dbraw/zinc/96/89/07/456968907.db2.gz FCJRCVDMECAEKA-BEFAXECRSA-N 2 1 336.907 3.400 20 0 EGADMP CCc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000354026324 457019502 /nfs/dbraw/zinc/01/95/02/457019502.db2.gz RGKMFXXDYNPSPD-UHFFFAOYSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346644924 457087727 /nfs/dbraw/zinc/08/77/27/457087727.db2.gz NORIKTMNNYADJH-KXBFYZLASA-N 2 1 326.488 3.026 20 0 EGADMP COc1cc(Cl)c(C[NH+]2CCC(OCCC[NH3+])CC2)cc1Cl ZINC000346653642 457094734 /nfs/dbraw/zinc/09/47/34/457094734.db2.gz FAOICGXMCFDBBZ-UHFFFAOYSA-N 2 1 347.286 3.332 20 0 EGADMP COc1cccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cs2)c1 ZINC000342081642 457097709 /nfs/dbraw/zinc/09/77/09/457097709.db2.gz HJUDIFQFASQVDM-WBAXXEDZSA-N 2 1 343.496 3.378 20 0 EGADMP COc1cccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cs2)c1 ZINC000342081642 457097715 /nfs/dbraw/zinc/09/77/15/457097715.db2.gz HJUDIFQFASQVDM-WBAXXEDZSA-N 2 1 343.496 3.378 20 0 EGADMP COc1ccccc1-c1nc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cs1 ZINC000342080686 457097975 /nfs/dbraw/zinc/09/79/75/457097975.db2.gz GXDMGHATGXYSBP-JQFCIGGWSA-N 2 1 343.496 3.378 20 0 EGADMP COc1ccccc1-c1nc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cs1 ZINC000342080686 457097979 /nfs/dbraw/zinc/09/79/79/457097979.db2.gz GXDMGHATGXYSBP-JQFCIGGWSA-N 2 1 343.496 3.378 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000342085340 457099826 /nfs/dbraw/zinc/09/98/26/457099826.db2.gz MSBOEWBUSOITRG-VBNZEHGJSA-N 2 1 328.378 3.143 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000359769671 457127953 /nfs/dbraw/zinc/12/79/53/457127953.db2.gz YVMICAXGLOJQIJ-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000359769671 457127957 /nfs/dbraw/zinc/12/79/57/457127957.db2.gz YVMICAXGLOJQIJ-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000359769671 457127961 /nfs/dbraw/zinc/12/79/61/457127961.db2.gz YVMICAXGLOJQIJ-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP COc1cc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)ccc1Cl ZINC000339572666 457149800 /nfs/dbraw/zinc/14/98/00/457149800.db2.gz BYPJXTWHOVPXQD-UHFFFAOYSA-N 2 1 339.892 3.199 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000359923435 457150064 /nfs/dbraw/zinc/15/00/64/457150064.db2.gz CXUARTLCLYGDPH-BBWFWOEESA-N 2 1 332.488 3.476 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000359923435 457150072 /nfs/dbraw/zinc/15/00/72/457150072.db2.gz CXUARTLCLYGDPH-BBWFWOEESA-N 2 1 332.488 3.476 20 0 EGADMP C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)cn1 ZINC000359972963 457179812 /nfs/dbraw/zinc/17/98/12/457179812.db2.gz ZKHIXQSNWOPBRP-KSSFIOAISA-N 2 1 345.874 3.152 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)cn1 ZINC000359972963 457179823 /nfs/dbraw/zinc/17/98/23/457179823.db2.gz ZKHIXQSNWOPBRP-KSSFIOAISA-N 2 1 345.874 3.152 20 0 EGADMP CCCCOc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346842235 457182179 /nfs/dbraw/zinc/18/21/79/457182179.db2.gz HTOABXZCNXHUMD-OKZBNKHCSA-N 2 1 332.488 3.433 20 0 EGADMP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OCC(C)C ZINC000347041691 457199787 /nfs/dbraw/zinc/19/97/87/457199787.db2.gz LKJXPNLETJYBFV-JWTNVVGKSA-N 2 1 332.488 3.445 20 0 EGADMP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OCC(C)C ZINC000347041691 457199795 /nfs/dbraw/zinc/19/97/95/457199795.db2.gz LKJXPNLETJYBFV-JWTNVVGKSA-N 2 1 332.488 3.445 20 0 EGADMP CCSc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000339679311 457208608 /nfs/dbraw/zinc/20/86/08/457208608.db2.gz BJGPNOZDZRNRSW-DOTOQJQBSA-N 2 1 349.544 3.037 20 0 EGADMP OCC1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000356901835 457208710 /nfs/dbraw/zinc/20/87/10/457208710.db2.gz PYJITEAZPIEGKJ-YWHRJQNKSA-N 2 1 328.500 3.038 20 0 EGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000331637812 457222551 /nfs/dbraw/zinc/22/25/51/457222551.db2.gz IDSCSQYFDSWRDE-CRAIPNDOSA-N 2 1 333.451 3.430 20 0 EGADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC(F)F ZINC000360054049 457228382 /nfs/dbraw/zinc/22/83/82/457228382.db2.gz MNTPHGVZPPFQJB-MBNYWOFBSA-N 2 1 328.403 3.430 20 0 EGADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC(F)F ZINC000360054049 457228388 /nfs/dbraw/zinc/22/83/88/457228388.db2.gz MNTPHGVZPPFQJB-MBNYWOFBSA-N 2 1 328.403 3.430 20 0 EGADMP CC(C)(C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C[NH+]1CCCC1 ZINC000360163200 457283023 /nfs/dbraw/zinc/28/30/23/457283023.db2.gz BMXWOIGRLZQMOK-UHFFFAOYSA-N 2 1 338.879 3.323 20 0 EGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000351516402 457302752 /nfs/dbraw/zinc/30/27/52/457302752.db2.gz JGICNSHFZWOKHT-UHFFFAOYSA-N 2 1 328.435 3.072 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCn2nc(C)cc2C)CC1)CC1CC1 ZINC000357082027 457312953 /nfs/dbraw/zinc/31/29/53/457312953.db2.gz IZUGTVLLSMQWFM-UHFFFAOYSA-N 2 1 332.536 3.334 20 0 EGADMP CC(C)[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354708370 457314186 /nfs/dbraw/zinc/31/41/86/457314186.db2.gz PFFIXTKICBNLQK-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP O=C(NCCCCC[NH+]1CCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000357119609 457333248 /nfs/dbraw/zinc/33/32/48/457333248.db2.gz KAYYIPURHRJODZ-LJQANCHMSA-N 2 1 335.536 3.166 20 0 EGADMP CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000355129487 457344461 /nfs/dbraw/zinc/34/44/61/457344461.db2.gz YAUGMFFMZRWQDK-ICSRJNTNSA-N 2 1 343.515 3.133 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347377103 457386036 /nfs/dbraw/zinc/38/60/36/457386036.db2.gz QBSNEPFETRRAEX-DLBZAZTESA-N 2 1 331.485 3.082 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347377103 457386046 /nfs/dbraw/zinc/38/60/46/457386046.db2.gz QBSNEPFETRRAEX-DLBZAZTESA-N 2 1 331.485 3.082 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000363656427 457401199 /nfs/dbraw/zinc/40/11/99/457401199.db2.gz LUBZUBXCUZTSMF-WOJBJXKFSA-N 2 1 329.532 3.361 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363656427 457401205 /nfs/dbraw/zinc/40/12/05/457401205.db2.gz LUBZUBXCUZTSMF-WOJBJXKFSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363656427 457401211 /nfs/dbraw/zinc/40/12/11/457401211.db2.gz LUBZUBXCUZTSMF-WOJBJXKFSA-N 3 1 329.532 3.361 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000363656427 457401218 /nfs/dbraw/zinc/40/12/18/457401218.db2.gz LUBZUBXCUZTSMF-WOJBJXKFSA-N 3 1 329.532 3.361 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000363656427 457401225 /nfs/dbraw/zinc/40/12/25/457401225.db2.gz LUBZUBXCUZTSMF-WOJBJXKFSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363656427 457401234 /nfs/dbraw/zinc/40/12/34/457401234.db2.gz LUBZUBXCUZTSMF-WOJBJXKFSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363656427 457401237 /nfs/dbraw/zinc/40/12/37/457401237.db2.gz LUBZUBXCUZTSMF-WOJBJXKFSA-N 3 1 329.532 3.361 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000347406949 457407328 /nfs/dbraw/zinc/40/73/28/457407328.db2.gz BMDFFEJMQXBGKA-ROUUACIJSA-N 2 1 329.488 3.458 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000347406949 457407334 /nfs/dbraw/zinc/40/73/34/457407334.db2.gz BMDFFEJMQXBGKA-ROUUACIJSA-N 2 1 329.488 3.458 20 0 EGADMP C[C@@H](CCSc1ccccc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363754534 457443693 /nfs/dbraw/zinc/44/36/93/457443693.db2.gz VTZNBBHURMPMHP-RBUKOAKNSA-N 2 1 347.572 3.269 20 0 EGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC[C@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000347472550 457452581 /nfs/dbraw/zinc/45/25/81/457452581.db2.gz ZZPGZIYYUNXGHQ-WSTZPKSXSA-N 2 1 338.536 3.157 20 0 EGADMP CC1(C)[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C[C@H]1Oc1ccccc1 ZINC000342696338 457460924 /nfs/dbraw/zinc/46/09/24/457460924.db2.gz CXQQGEBCJXPORJ-DFQSSKMNSA-N 2 1 346.515 3.059 20 0 EGADMP CC[C@H](C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000425232699 457467079 /nfs/dbraw/zinc/46/70/79/457467079.db2.gz FPICVQIGZVAZJE-YLJYHZDGSA-N 2 1 345.531 3.086 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347501368 457469745 /nfs/dbraw/zinc/46/97/45/457469745.db2.gz HTOVPWZDUVRFGH-KRWDZBQOSA-N 2 1 349.478 3.026 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1OC(F)F ZINC000397287894 457485608 /nfs/dbraw/zinc/48/56/08/457485608.db2.gz VKYXCQFGGCRDRD-NFAWXSAZSA-N 2 1 342.430 3.492 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000342758515 457504053 /nfs/dbraw/zinc/50/40/53/457504053.db2.gz UICISIKMECLSTE-FUHIMQAGSA-N 2 1 343.515 3.065 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374173576 457508306 /nfs/dbraw/zinc/50/83/06/457508306.db2.gz HQBOMDXKUIQBGX-UHFFFAOYSA-N 2 1 349.906 3.395 20 0 EGADMP CC[N@@H+](CCNC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C)C(C)C ZINC000352688247 457532958 /nfs/dbraw/zinc/53/29/58/457532958.db2.gz WAFYPBCUASJJPK-IEBWSBKVSA-N 2 1 348.535 3.016 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1OC(F)F ZINC000404419132 457544264 /nfs/dbraw/zinc/54/42/64/457544264.db2.gz HRFPIOYKTUXWSK-TZMCWYRMSA-N 2 1 328.403 3.246 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000361075300 457565701 /nfs/dbraw/zinc/56/57/01/457565701.db2.gz GMFWPLLPMVVKRG-OAQYLSRUSA-N 2 1 329.532 3.317 20 0 EGADMP Cc1cc(NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)nc(C)[nH+]1 ZINC000352745815 457577982 /nfs/dbraw/zinc/57/79/82/457577982.db2.gz MKKXIGVBYONYKS-MRXNPFEDSA-N 2 1 330.501 3.462 20 0 EGADMP Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000361094560 457579561 /nfs/dbraw/zinc/57/95/61/457579561.db2.gz CVPMYCIHYIOJRN-RTBURBONSA-N 2 1 332.488 3.452 20 0 EGADMP Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC000361094560 457579565 /nfs/dbraw/zinc/57/95/65/457579565.db2.gz CVPMYCIHYIOJRN-RTBURBONSA-N 2 1 332.488 3.452 20 0 EGADMP C[C@H]([NH2+]Cc1cn(C)nc1C(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000361124927 457596260 /nfs/dbraw/zinc/59/62/60/457596260.db2.gz VHUIPALNWFUBSJ-QWHCGFSZSA-N 2 1 326.435 3.100 20 0 EGADMP C[C@H]([NH2+]Cc1cn(C)nc1C(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000361124927 457596262 /nfs/dbraw/zinc/59/62/62/457596262.db2.gz VHUIPALNWFUBSJ-QWHCGFSZSA-N 2 1 326.435 3.100 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000370286955 457608445 /nfs/dbraw/zinc/60/84/45/457608445.db2.gz AHBXJUPBFRCHRQ-MJGOQNOKSA-N 2 1 331.504 3.117 20 0 EGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000357620838 457627938 /nfs/dbraw/zinc/62/79/38/457627938.db2.gz WPOGTNXDFPCUJU-KRWDZBQOSA-N 2 1 348.535 3.056 20 0 EGADMP CC[C@H](NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1OC(F)F ZINC000370632488 457687020 /nfs/dbraw/zinc/68/70/20/457687020.db2.gz BDQSWZLLFPLMKD-YCPHGPKFSA-N 2 1 340.414 3.192 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1OC(F)F ZINC000370632488 457687021 /nfs/dbraw/zinc/68/70/21/457687021.db2.gz BDQSWZLLFPLMKD-YCPHGPKFSA-N 2 1 340.414 3.192 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]3(C)CCCC[NH2+]3)cc2)C1 ZINC000357784917 457688160 /nfs/dbraw/zinc/68/81/60/457688160.db2.gz AOEKUMVNKFQYOF-UZLBHIALSA-N 2 1 329.488 3.389 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370670589 457695937 /nfs/dbraw/zinc/69/59/37/457695937.db2.gz FDXJUYUYLSBZDX-JQHSSLGASA-N 2 1 329.488 3.183 20 0 EGADMP Fc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c(F)c1 ZINC000370670446 457696003 /nfs/dbraw/zinc/69/60/03/457696003.db2.gz BRICGTJVKLDZKC-IAGOWNOFSA-N 2 1 335.442 3.150 20 0 EGADMP FC(F)(F)c1ccc(OCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000357844596 457709469 /nfs/dbraw/zinc/70/94/69/457709469.db2.gz GDMYVCQRIJSPSF-CABCVRRESA-N 2 1 343.393 3.086 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000364914728 457717600 /nfs/dbraw/zinc/71/76/00/457717600.db2.gz GBOJWGJHIFOUJM-SFHVURJKSA-N 2 1 346.515 3.030 20 0 EGADMP Cc1nc(COc2ccc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)cc2)cs1 ZINC000425998280 457757120 /nfs/dbraw/zinc/75/71/20/457757120.db2.gz HLHWDBULWRZUNE-CALCHBBNSA-N 2 1 343.496 3.024 20 0 EGADMP Cc1nc(COc2ccc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)cc2)cs1 ZINC000425998280 457757125 /nfs/dbraw/zinc/75/71/25/457757125.db2.gz HLHWDBULWRZUNE-CALCHBBNSA-N 2 1 343.496 3.024 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cc2)cs1 ZINC000425998280 457757130 /nfs/dbraw/zinc/75/71/30/457757130.db2.gz HLHWDBULWRZUNE-CALCHBBNSA-N 2 1 343.496 3.024 20 0 EGADMP Cc1nc(COc2ccc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cc2)cs1 ZINC000425998280 457757135 /nfs/dbraw/zinc/75/71/35/457757135.db2.gz HLHWDBULWRZUNE-CALCHBBNSA-N 2 1 343.496 3.024 20 0 EGADMP CC(C)[C@@H](C[NH3+])C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000433154455 457765808 /nfs/dbraw/zinc/76/58/08/457765808.db2.gz UECYXLVWOMEVLU-FUHIMQAGSA-N 2 1 345.531 3.012 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000358077256 457770000 /nfs/dbraw/zinc/77/00/00/457770000.db2.gz RUIVWWDEMLMGDT-GFCCVEGCSA-N 2 1 338.521 3.015 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000358077256 457770002 /nfs/dbraw/zinc/77/00/02/457770002.db2.gz RUIVWWDEMLMGDT-GFCCVEGCSA-N 2 1 338.521 3.015 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc3ccccc3n2C(F)F)[C@H](C)C1 ZINC000358164661 457827648 /nfs/dbraw/zinc/82/76/48/457827648.db2.gz IHJWSMWHHIJHHW-ZIAGYGMSSA-N 2 1 336.430 3.294 20 0 EGADMP CC(C)CCn1cccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371332409 457872012 /nfs/dbraw/zinc/87/20/12/457872012.db2.gz PEFGODUYQSFRJM-NRFANRHFSA-N 2 1 346.563 3.135 20 0 EGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000358267979 457899963 /nfs/dbraw/zinc/89/99/63/457899963.db2.gz QZXFZMIXVVSTDX-ZWKOTPCHSA-N 2 1 343.515 3.133 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC000411620224 457930631 /nfs/dbraw/zinc/93/06/31/457930631.db2.gz LXUXDAWSOXXIME-PXNSSMCTSA-N 2 1 344.499 3.304 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@]2(CCOC2)O1 ZINC000411658579 457941767 /nfs/dbraw/zinc/94/17/67/457941767.db2.gz CPJAKSXCQMUXRJ-GHTZIAJQSA-N 2 1 344.499 3.052 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@]2(CCOC2)O1 ZINC000411658579 457941772 /nfs/dbraw/zinc/94/17/72/457941772.db2.gz CPJAKSXCQMUXRJ-GHTZIAJQSA-N 2 1 344.499 3.052 20 0 EGADMP OCC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCSC1 ZINC000411662176 457944566 /nfs/dbraw/zinc/94/45/66/457944566.db2.gz FJCLDZFWHCFDSD-HXUWFJFHSA-N 2 1 348.556 3.362 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[C@@H]2CCC[NH+](C)C2)cc1)C1CC1 ZINC000458171376 457953211 /nfs/dbraw/zinc/95/32/11/457953211.db2.gz PUAUWVHTMXPIIF-KRWDZBQOSA-N 2 1 343.515 3.133 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1)C1CC1 ZINC000458171376 457953216 /nfs/dbraw/zinc/95/32/16/457953216.db2.gz PUAUWVHTMXPIIF-KRWDZBQOSA-N 2 1 343.515 3.133 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1)C1CC1 ZINC000458171376 457953223 /nfs/dbraw/zinc/95/32/23/457953223.db2.gz PUAUWVHTMXPIIF-KRWDZBQOSA-N 2 1 343.515 3.133 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)[C@H]1c1cccs1 ZINC000427265277 457968639 /nfs/dbraw/zinc/96/86/39/457968639.db2.gz MQJAHEGJYYQOCX-FCEWJHQRSA-N 2 1 349.544 3.027 20 0 EGADMP COC[C@]1(C)CC[NH+](CCC(C)CC[N@@H+]2CC[C@@](C)(COC)C2)C1 ZINC000411773452 457975799 /nfs/dbraw/zinc/97/57/99/457975799.db2.gz LWNJMBFJYFCNNO-WOJBJXKFSA-N 2 1 340.552 3.120 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000358445237 458007831 /nfs/dbraw/zinc/00/78/31/458007831.db2.gz GVNUCFPKQFHYJO-GFCCVEGCSA-N 2 1 344.286 3.206 20 0 EGADMP FC(F)(F)Oc1ccc(OCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358495853 458039277 /nfs/dbraw/zinc/03/92/77/458039277.db2.gz HYPKOQFWAHQSHE-UHFFFAOYSA-N 2 1 344.377 3.040 20 0 EGADMP Cc1cc(-c2noc([C@@H](C)[N@H+]3CCC4(C3)CC[NH2+]CC4)n2)ccc1F ZINC000358498597 458040680 /nfs/dbraw/zinc/04/06/80/458040680.db2.gz CWTVTDMCSAXPOJ-CQSZACIVSA-N 2 1 344.434 3.321 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412011625 458044196 /nfs/dbraw/zinc/04/41/96/458044196.db2.gz KOPSERDXFAKKLF-IBGZPJMESA-N 2 1 325.456 3.435 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412011625 458044202 /nfs/dbraw/zinc/04/42/02/458044202.db2.gz KOPSERDXFAKKLF-IBGZPJMESA-N 2 1 325.456 3.435 20 0 EGADMP Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000358514881 458051437 /nfs/dbraw/zinc/05/14/37/458051437.db2.gz YBIAXVMMXMMCAL-OAHLLOKOSA-N 2 1 326.444 3.182 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358515635 458051847 /nfs/dbraw/zinc/05/18/47/458051847.db2.gz MVVWKNZVTNFJIW-INIZCTEOSA-N 2 1 337.467 3.242 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412131664 458103210 /nfs/dbraw/zinc/10/32/10/458103210.db2.gz PBERFQWJNAFWGM-XLIONFOSSA-N 2 1 343.515 3.085 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000435370305 458123372 /nfs/dbraw/zinc/12/33/72/458123372.db2.gz ICFQFXKJZXLZML-FUHWJXTLSA-N 2 1 340.515 3.398 20 0 EGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000435373057 458124039 /nfs/dbraw/zinc/12/40/39/458124039.db2.gz LQIMJMPIDUSTSG-WMZOPIPTSA-N 2 1 340.515 3.398 20 0 EGADMP CC[C@@H]1C[C@@H](C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000435427288 458145095 /nfs/dbraw/zinc/14/50/95/458145095.db2.gz MEUBDFVIAGLYAG-BBWFWOEESA-N 2 1 349.544 3.292 20 0 EGADMP Fc1ccc(OCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435615490 458171918 /nfs/dbraw/zinc/17/19/18/458171918.db2.gz JFFAUHHLBGBKPR-IBGZPJMESA-N 2 1 343.446 3.244 20 0 EGADMP Fc1ccc(OCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435615490 458171925 /nfs/dbraw/zinc/17/19/25/458171925.db2.gz JFFAUHHLBGBKPR-IBGZPJMESA-N 2 1 343.446 3.244 20 0 EGADMP C[C@H](NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(OC(F)(F)F)c1 ZINC000372065977 458181409 /nfs/dbraw/zinc/18/14/09/458181409.db2.gz UVPXFTXQPBQDPU-DUVNUKRYSA-N 2 1 344.377 3.099 20 0 EGADMP COC1(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000428872893 458226154 /nfs/dbraw/zinc/22/61/54/458226154.db2.gz SZJPKGYUAHMMNF-AZUAARDMSA-N 2 1 346.515 3.072 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000446972030 458250992 /nfs/dbraw/zinc/25/09/92/458250992.db2.gz JLQDTGWXUCMCHG-MRXNPFEDSA-N 2 1 337.533 3.194 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000446972030 458250996 /nfs/dbraw/zinc/25/09/96/458250996.db2.gz JLQDTGWXUCMCHG-MRXNPFEDSA-N 2 1 337.533 3.194 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)CC2)c1 ZINC000429045729 458265784 /nfs/dbraw/zinc/26/57/84/458265784.db2.gz WFRVZURMGCZJDR-HXUWFJFHSA-N 2 1 344.499 3.020 20 0 EGADMP COCc1cccc(OCC2(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)CC2)c1 ZINC000429045729 458265790 /nfs/dbraw/zinc/26/57/90/458265790.db2.gz WFRVZURMGCZJDR-HXUWFJFHSA-N 2 1 344.499 3.020 20 0 EGADMP COCc1cccc(OCC2(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)CC2)c1 ZINC000429045729 458265798 /nfs/dbraw/zinc/26/57/98/458265798.db2.gz WFRVZURMGCZJDR-HXUWFJFHSA-N 2 1 344.499 3.020 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC000447565498 458312860 /nfs/dbraw/zinc/31/28/60/458312860.db2.gz LQWPINXJCZZPIK-AZUAARDMSA-N 2 1 344.547 3.004 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC000447565498 458312864 /nfs/dbraw/zinc/31/28/64/458312864.db2.gz LQWPINXJCZZPIK-AZUAARDMSA-N 2 1 344.547 3.004 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccn2)CC[C@H]1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000447565498 458312870 /nfs/dbraw/zinc/31/28/70/458312870.db2.gz LQWPINXJCZZPIK-AZUAARDMSA-N 2 1 344.547 3.004 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccn2)CC[C@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC000447565498 458312875 /nfs/dbraw/zinc/31/28/75/458312875.db2.gz LQWPINXJCZZPIK-AZUAARDMSA-N 2 1 344.547 3.004 20 0 EGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@H]3C3CC3)C2)cc1 ZINC000429414109 458330753 /nfs/dbraw/zinc/33/07/53/458330753.db2.gz XKTXDXOSLODKKG-HKBOAZHASA-N 2 1 328.500 3.446 20 0 EGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@H]3C3CC3)C2)cc1 ZINC000429414109 458330756 /nfs/dbraw/zinc/33/07/56/458330756.db2.gz XKTXDXOSLODKKG-HKBOAZHASA-N 2 1 328.500 3.446 20 0 EGADMP COCC[N@H+](Cc1cncs1)Cc1ccc(-n2ccnc2)cc1C ZINC000447838645 458352480 /nfs/dbraw/zinc/35/24/80/458352480.db2.gz CLRUUXOGCPLAHT-UHFFFAOYSA-N 2 1 342.468 3.286 20 0 EGADMP COCC[N@@H+](Cc1cncs1)Cc1ccc(-n2ccnc2)cc1C ZINC000447838645 458352484 /nfs/dbraw/zinc/35/24/84/458352484.db2.gz CLRUUXOGCPLAHT-UHFFFAOYSA-N 2 1 342.468 3.286 20 0 EGADMP CC[C@H](C[NH2+]C1CCN(C2CC2)CC1)N1CCc2ccccc2C1 ZINC000459389184 458355740 /nfs/dbraw/zinc/35/57/40/458355740.db2.gz MOXICVAFVXOKTP-HXUWFJFHSA-N 2 1 327.516 3.040 20 0 EGADMP Cc1cc(F)c(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(Cl)c1 ZINC000459408232 458360845 /nfs/dbraw/zinc/36/08/45/458360845.db2.gz ISFIFYAMWHKLOT-AWEZNQCLSA-N 2 1 328.859 3.114 20 0 EGADMP Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(OC[C@H]2CCCO2)c1 ZINC000459443416 458373009 /nfs/dbraw/zinc/37/30/09/458373009.db2.gz NFMMGPZXSGZKAE-HXUWFJFHSA-N 2 1 344.499 3.269 20 0 EGADMP c1cn(CCCC2CCN(Cc3cnc(C4CC4)nc3)CC2)cn1 ZINC000459568434 458414701 /nfs/dbraw/zinc/41/47/01/458414701.db2.gz XDRZBESLFMGBEW-UHFFFAOYSA-N 2 1 325.460 3.243 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000423442609 458433919 /nfs/dbraw/zinc/43/39/19/458433919.db2.gz ZHRPHNYBISDYSI-IAGOWNOFSA-N 2 1 339.483 3.347 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)[C@@H]2CCC[C@@H]21 ZINC000423452541 458435417 /nfs/dbraw/zinc/43/54/17/458435417.db2.gz ZAEGOCCDUWRHTD-OWLYRPNTSA-N 2 1 329.488 3.333 20 0 EGADMP Clc1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CC2)cc1Cl ZINC000423492308 458442460 /nfs/dbraw/zinc/44/24/60/458442460.db2.gz MNBMIJRHTKWPJM-CJNGLKHVSA-N 2 1 329.271 3.413 20 0 EGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423531081 458452376 /nfs/dbraw/zinc/45/23/76/458452376.db2.gz QEFWWLRQYGSMCU-FRYIKTPZSA-N 2 1 344.499 3.234 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC2=CC[NH2+]CC2)CC1 ZINC000423537291 458455038 /nfs/dbraw/zinc/45/50/38/458455038.db2.gz JPHLJYXDKMQBDL-UHFFFAOYSA-N 3 1 327.516 3.329 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCO[C@@H]2C2CC2)C3)cc1 ZINC000377077287 458456144 /nfs/dbraw/zinc/45/61/44/458456144.db2.gz KEBQJGCZIHNARG-FDKIHUSFSA-N 2 1 326.484 3.339 20 0 EGADMP COc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(OC(F)F)c1 ZINC000459723116 458457322 /nfs/dbraw/zinc/45/73/22/458457322.db2.gz CPCBZVBHPUDEBE-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+])c1cccc2ccccc21 ZINC000430539035 458457798 /nfs/dbraw/zinc/45/77/98/458457798.db2.gz DFZGAGSUHCXRAM-HOTGVXAUSA-N 2 1 341.499 3.322 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+])c1cccc2ccccc21 ZINC000430539035 458457799 /nfs/dbraw/zinc/45/77/99/458457799.db2.gz DFZGAGSUHCXRAM-HOTGVXAUSA-N 2 1 341.499 3.322 20 0 EGADMP [NH3+]CCCOC1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000430547537 458459250 /nfs/dbraw/zinc/45/92/50/458459250.db2.gz UOXXKSCIXBEGCO-UHFFFAOYSA-N 2 1 345.512 3.064 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000430632295 458472685 /nfs/dbraw/zinc/47/26/85/458472685.db2.gz XYAFDHGBTKAOFH-ABAIWWIYSA-N 2 1 327.831 3.009 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000430632295 458472688 /nfs/dbraw/zinc/47/26/88/458472688.db2.gz XYAFDHGBTKAOFH-ABAIWWIYSA-N 2 1 327.831 3.009 20 0 EGADMP C[N@@H+](Cc1cc(Br)cc2cccnc21)C1CC[NH2+]CC1 ZINC000430629168 458473294 /nfs/dbraw/zinc/47/32/94/458473294.db2.gz OGJXYDPZPCWFRF-UHFFFAOYSA-N 2 1 334.261 3.181 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000423736025 458477416 /nfs/dbraw/zinc/47/74/16/458477416.db2.gz XZLQBQQDOBEVRJ-UKBAYJJMSA-N 2 1 335.536 3.148 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000459794421 458481453 /nfs/dbraw/zinc/48/14/53/458481453.db2.gz USLYSHWBPVCIJU-HNNXBMFYSA-N 2 1 337.458 3.255 20 0 EGADMP CC[C@@H]1CN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000423829848 458492829 /nfs/dbraw/zinc/49/28/29/458492829.db2.gz UHMMZWRPGPTMSW-OAQYLSRUSA-N 2 1 349.478 3.026 20 0 EGADMP CC[C@@H]1CN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000423829848 458492833 /nfs/dbraw/zinc/49/28/33/458492833.db2.gz UHMMZWRPGPTMSW-OAQYLSRUSA-N 2 1 349.478 3.026 20 0 EGADMP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000430957747 458509735 /nfs/dbraw/zinc/50/97/35/458509735.db2.gz QDOGQZMJNGWTQG-AWEZNQCLSA-N 2 1 337.895 3.215 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438092621 458530033 /nfs/dbraw/zinc/53/00/33/458530033.db2.gz ACVCXZBWGSLZEL-MRXNPFEDSA-N 2 1 333.451 3.240 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000438095539 458532495 /nfs/dbraw/zinc/53/24/95/458532495.db2.gz HEYJAHJOIOQOPV-HXUWFJFHSA-N 2 1 341.499 3.476 20 0 EGADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CC[C@H]2CCOC2)CC3)cc1 ZINC000438120732 458536765 /nfs/dbraw/zinc/53/67/65/458536765.db2.gz XASONDDJHOWWRT-FQEVSTJZSA-N 2 1 328.500 3.401 20 0 EGADMP [NH3+][C@@H](CCC(=O)N1CC[NH2+]Cc2ccccc21)CC1CCCCC1 ZINC000424075546 458551547 /nfs/dbraw/zinc/55/15/47/458551547.db2.gz JMZDVJDZEXMIQO-SFHVURJKSA-N 2 1 329.488 3.201 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000493782062 458565815 /nfs/dbraw/zinc/56/58/15/458565815.db2.gz SNQHDWUWYDNFIS-KRWDZBQOSA-N 2 1 339.524 3.098 20 0 EGADMP Cn1c2cc(F)ccc2nc1N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000431431873 458572087 /nfs/dbraw/zinc/57/20/87/458572087.db2.gz PPPBTPVZLCKKFN-KRWDZBQOSA-N 2 1 338.430 3.076 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1cccs1 ZINC000431569835 458590267 /nfs/dbraw/zinc/59/02/67/458590267.db2.gz HRBVIDLABQTWTE-IAGOWNOFSA-N 2 1 349.544 3.264 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1nc3ccccc3n1C(F)F)CC[NH2+]CC2 ZINC000424297592 458608028 /nfs/dbraw/zinc/60/80/28/458608028.db2.gz TUBUXWWDVKSWLO-ZDUSSCGKSA-N 2 1 334.414 3.395 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC000470135176 458614745 /nfs/dbraw/zinc/61/47/45/458614745.db2.gz SJABRZVQTYPKKX-WMZOPIPTSA-N 2 1 332.488 3.028 20 0 EGADMP COC(=O)[C@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC000470135176 458614746 /nfs/dbraw/zinc/61/47/46/458614746.db2.gz SJABRZVQTYPKKX-WMZOPIPTSA-N 2 1 332.488 3.028 20 0 EGADMP COC(=O)[C@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC000470135176 458614750 /nfs/dbraw/zinc/61/47/50/458614750.db2.gz SJABRZVQTYPKKX-WMZOPIPTSA-N 2 1 332.488 3.028 20 0 EGADMP CC(C)C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000424318185 458614832 /nfs/dbraw/zinc/61/48/32/458614832.db2.gz FUOHODDXFUQMCO-MWDXBVQZSA-N 2 1 326.525 3.309 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(Cl)c1 ZINC000424326234 458616008 /nfs/dbraw/zinc/61/60/08/458616008.db2.gz YDTSFGNKWGOHHW-HUUCEWRRSA-N 2 1 340.895 3.236 20 0 EGADMP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(Cl)c1 ZINC000424326242 458616071 /nfs/dbraw/zinc/61/60/71/458616071.db2.gz YDTSFGNKWGOHHW-LSDHHAIUSA-N 2 1 340.895 3.236 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424370461 458627320 /nfs/dbraw/zinc/62/73/20/458627320.db2.gz CKBJTAVVQKHOFD-HNNXBMFYSA-N 2 1 342.462 3.284 20 0 EGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000424371391 458627788 /nfs/dbraw/zinc/62/77/88/458627788.db2.gz GEMMSXAMUGEQDX-RBSFLKMASA-N 2 1 327.241 3.435 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)NCCC[N@H+](C)C2CCCCC2)c1 ZINC000424443397 458645261 /nfs/dbraw/zinc/64/52/61/458645261.db2.gz KECYLSKEJAGTJQ-UHFFFAOYSA-N 2 1 332.492 3.230 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470773393 458649294 /nfs/dbraw/zinc/64/92/94/458649294.db2.gz NVRJVQUCIKDERH-KNQAVFIVSA-N 2 1 340.511 3.407 20 0 EGADMP Cc1cncc([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000546645741 458651132 /nfs/dbraw/zinc/65/11/32/458651132.db2.gz QJEKSVFQBDFDKN-GHTZIAJQSA-N 2 1 338.499 3.029 20 0 EGADMP CC(C)c1cc(NCCCC[N@H+]2CCC[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000462787559 458654186 /nfs/dbraw/zinc/65/41/86/458654186.db2.gz LHYPFRQTOJNPBV-INIZCTEOSA-N 2 1 333.524 3.012 20 0 EGADMP CO[C@](C)(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000462816059 458657011 /nfs/dbraw/zinc/65/70/11/458657011.db2.gz FPKHRBAIICRYGI-GFOJFJKKSA-N 2 1 328.500 3.302 20 0 EGADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c3ccc(Br)cc23)CC[N@@H+]1C ZINC000462875066 458662825 /nfs/dbraw/zinc/66/28/25/458662825.db2.gz GCSYLTABHVPJOX-YPMHNXCESA-N 2 1 334.261 3.314 20 0 EGADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c3ccc(Br)cc23)CC[N@H+]1C ZINC000462875066 458662829 /nfs/dbraw/zinc/66/28/29/458662829.db2.gz GCSYLTABHVPJOX-YPMHNXCESA-N 2 1 334.261 3.314 20 0 EGADMP CCCc1csc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)n1 ZINC000494359498 458663668 /nfs/dbraw/zinc/66/36/68/458663668.db2.gz RRXPNXOXBFRPAH-UHFFFAOYSA-N 2 1 333.501 3.326 20 0 EGADMP C[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000463146204 458678122 /nfs/dbraw/zinc/67/81/22/458678122.db2.gz NAFZZWXPPYTTNF-WOJBJXKFSA-N 2 1 343.559 3.404 20 0 EGADMP CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)CC1 ZINC000456528498 458704030 /nfs/dbraw/zinc/70/40/30/458704030.db2.gz KRENSWDYCHJGFE-GOSISDBHSA-N 2 1 345.531 3.473 20 0 EGADMP CC[C@@H]1C[NH+](CCCCC[N@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439476687 458712253 /nfs/dbraw/zinc/71/22/53/458712253.db2.gz ZRLDDZOQURWXTO-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP CC[C@@H]1C[N@H+](CCCCC[NH+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439476687 458712257 /nfs/dbraw/zinc/71/22/57/458712257.db2.gz ZRLDDZOQURWXTO-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP CC[C@@H]1C[N@@H+](CCCCC[NH+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439476687 458712260 /nfs/dbraw/zinc/71/22/60/458712260.db2.gz ZRLDDZOQURWXTO-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530243400 458729341 /nfs/dbraw/zinc/72/93/41/458729341.db2.gz XYTPWQQXMGRPQG-GDBMZVCRSA-N 2 1 335.492 3.124 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000530412745 458763315 /nfs/dbraw/zinc/76/33/15/458763315.db2.gz XJOSQWZUBJQZRC-MRXNPFEDSA-N 2 1 334.261 3.392 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000547736443 458782424 /nfs/dbraw/zinc/78/24/24/458782424.db2.gz TTXPKCUMLPMGQG-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000547736443 458782429 /nfs/dbraw/zinc/78/24/29/458782429.db2.gz TTXPKCUMLPMGQG-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000547736443 458782432 /nfs/dbraw/zinc/78/24/32/458782432.db2.gz TTXPKCUMLPMGQG-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@H+](CC4CCCC4)C3)CC2)n1 ZINC000495054310 458789977 /nfs/dbraw/zinc/78/99/77/458789977.db2.gz STEDYFHKIYFAGD-DAWZGUTISA-N 2 1 332.492 3.258 20 0 EGADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@@H+](CC4CCCC4)C3)CC2)n1 ZINC000495054310 458789983 /nfs/dbraw/zinc/78/99/83/458789983.db2.gz STEDYFHKIYFAGD-DAWZGUTISA-N 2 1 332.492 3.258 20 0 EGADMP Fc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1Cl ZINC000495088742 458797900 /nfs/dbraw/zinc/79/79/00/458797900.db2.gz MRHUYWCRESHKRT-SOUVJXGZSA-N 2 1 337.870 3.274 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000473317899 458825115 /nfs/dbraw/zinc/82/51/15/458825115.db2.gz USGLMWAKGGPGNJ-WOJBJXKFSA-N 2 1 345.531 3.324 20 0 EGADMP C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000495734449 458934350 /nfs/dbraw/zinc/93/43/50/458934350.db2.gz NKYRYTLSFRLQIC-BPQIPLTHSA-N 2 1 347.503 3.325 20 0 EGADMP C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000495734449 458934356 /nfs/dbraw/zinc/93/43/56/458934356.db2.gz NKYRYTLSFRLQIC-BPQIPLTHSA-N 2 1 347.503 3.325 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000576935879 458949136 /nfs/dbraw/zinc/94/91/36/458949136.db2.gz GESHTMXQOAYKQV-INIZCTEOSA-N 2 1 335.467 3.399 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000495815554 458963422 /nfs/dbraw/zinc/96/34/22/458963422.db2.gz ASYOOJJKRXTFBE-SFHVURJKSA-N 2 1 348.491 3.105 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000495815554 458963428 /nfs/dbraw/zinc/96/34/28/458963428.db2.gz ASYOOJJKRXTFBE-SFHVURJKSA-N 2 1 348.491 3.105 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000566615597 458969721 /nfs/dbraw/zinc/96/97/21/458969721.db2.gz RSMWNLMNMQBWDG-INIZCTEOSA-N 2 1 335.467 3.173 20 0 EGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000495863817 458982397 /nfs/dbraw/zinc/98/23/97/458982397.db2.gz FTDFXIUFUMHRRP-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000556665208 458983810 /nfs/dbraw/zinc/98/38/10/458983810.db2.gz BQKONQLRNVIALG-HNAYVOBHSA-N 2 1 344.503 3.087 20 0 EGADMP Cc1ccc(OC[C@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000519698470 458989085 /nfs/dbraw/zinc/98/90/85/458989085.db2.gz YWLKUOIIIMXRGX-VQTJNVASSA-N 2 1 348.531 3.287 20 0 EGADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCc3ccccc32)c2cccs2)CC1 ZINC000531932277 459002191 /nfs/dbraw/zinc/00/21/91/459002191.db2.gz BKBYURIJLDRBET-OALUTQOASA-N 2 1 341.524 3.314 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(C)cc2C)[C@H](C)C1 ZINC000531953949 459006448 /nfs/dbraw/zinc/00/64/48/459006448.db2.gz KZFNFYRSWSFJCW-WOJBJXKFSA-N 2 1 348.531 3.409 20 0 EGADMP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000531970977 459009103 /nfs/dbraw/zinc/00/91/03/459009103.db2.gz AZTMILPHJOAFPV-AQNXPRMDSA-N 2 1 343.515 3.052 20 0 EGADMP CN(C[C@H](O)C[N@H+]1CCCCC[C@@H]1/C=C/c1ccccc1)C1CC1 ZINC000519846572 459014799 /nfs/dbraw/zinc/01/47/99/459014799.db2.gz CLJDSZKJWYPNLG-KUIZBPSLSA-N 2 1 328.500 3.400 20 0 EGADMP C[NH+](C[C@H](O)C[N@@H+]1CCCCC[C@@H]1/C=C/c1ccccc1)C1CC1 ZINC000519846572 459014815 /nfs/dbraw/zinc/01/48/15/459014815.db2.gz CLJDSZKJWYPNLG-KUIZBPSLSA-N 2 1 328.500 3.400 20 0 EGADMP C[NH+](C[C@H](O)C[N@H+]1CCCCC[C@@H]1/C=C/c1ccccc1)C1CC1 ZINC000519846572 459014819 /nfs/dbraw/zinc/01/48/19/459014819.db2.gz CLJDSZKJWYPNLG-KUIZBPSLSA-N 2 1 328.500 3.400 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1Cl ZINC000519865734 459018495 /nfs/dbraw/zinc/01/84/95/459018495.db2.gz XQTVDZRVBRAEJE-GOSISDBHSA-N 2 1 335.923 3.249 20 0 EGADMP COC(=O)c1cccc(CN[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000566941778 459024067 /nfs/dbraw/zinc/02/40/67/459024067.db2.gz UQLRVWAMXMAFDI-UZLBHIALSA-N 2 1 338.451 3.398 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000442751623 459030931 /nfs/dbraw/zinc/03/09/31/459030931.db2.gz CNPLVEWLMJVYOS-WWMYMODYSA-N 2 1 343.515 3.093 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000442751623 459030938 /nfs/dbraw/zinc/03/09/38/459030938.db2.gz CNPLVEWLMJVYOS-WWMYMODYSA-N 2 1 343.515 3.093 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1cccc2ccccc21 ZINC000442757554 459031435 /nfs/dbraw/zinc/03/14/35/459031435.db2.gz MJRNPOJKLBAXEP-QAETUUGQSA-N 2 1 339.483 3.075 20 0 EGADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442763344 459032512 /nfs/dbraw/zinc/03/25/12/459032512.db2.gz GJHDDRWVHFLTMO-PBWFPOADSA-N 2 1 339.842 3.023 20 0 EGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000556916226 459033222 /nfs/dbraw/zinc/03/32/22/459033222.db2.gz QIIPHKJDKLYCBO-JOCHJYFZSA-N 2 1 343.559 3.485 20 0 EGADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2ccccc21 ZINC000442875966 459049640 /nfs/dbraw/zinc/04/96/40/459049640.db2.gz QAMFOMRUSCZZPJ-VQTJNVASSA-N 2 1 329.532 3.487 20 0 EGADMP CCOc1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1OC(F)F ZINC000442916687 459059435 /nfs/dbraw/zinc/05/94/35/459059435.db2.gz ACZSNYSRKVRUND-CYBMUJFWSA-N 2 1 328.403 3.248 20 0 EGADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442926002 459062040 /nfs/dbraw/zinc/06/20/40/459062040.db2.gz XCJCKNOBVLRYNA-GFCCVEGCSA-N 2 1 340.393 3.153 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000532463258 459092971 /nfs/dbraw/zinc/09/29/71/459092971.db2.gz MFSQUBHIQZKHDC-CYBMUJFWSA-N 2 1 326.868 3.110 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000496172503 459097327 /nfs/dbraw/zinc/09/73/27/459097327.db2.gz SBRDPTRUIIDMON-OTBWCIGPSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000496172503 459097333 /nfs/dbraw/zinc/09/73/33/459097333.db2.gz SBRDPTRUIIDMON-OTBWCIGPSA-N 2 1 339.524 3.142 20 0 EGADMP CCCc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c2ccccc2[nH+]1 ZINC000557697233 459101064 /nfs/dbraw/zinc/10/10/64/459101064.db2.gz OCLKPEJAMOEVCQ-FUHWJXTLSA-N 2 1 339.483 3.487 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000496240045 459119688 /nfs/dbraw/zinc/11/96/88/459119688.db2.gz SANLZDXPECUDAF-SJORKVTESA-N 2 1 341.540 3.199 20 0 EGADMP C[C@H](Nc1cc[nH+]cc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000521130905 459121696 /nfs/dbraw/zinc/12/16/96/459121696.db2.gz WGQBRXCRMCZNSY-LRDDRELGSA-N 2 1 334.261 3.369 20 0 EGADMP COC(C)(C)C[NH+](C)Cc1ccc(C[N@H+](C)CC(C)(C)OC)cc1 ZINC000532641801 459122415 /nfs/dbraw/zinc/12/24/15/459122415.db2.gz BLOZJEYILREYJM-UHFFFAOYSA-N 2 1 336.520 3.400 20 0 EGADMP CC[C@@H](c1ccccc1OC)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000558181464 459137010 /nfs/dbraw/zinc/13/70/10/459137010.db2.gz JJMWPRCTXQFNII-FQEVSTJZSA-N 2 1 347.547 3.494 20 0 EGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000479460731 459141790 /nfs/dbraw/zinc/14/17/90/459141790.db2.gz ZQWDZARJTDKYED-JBACZVJFSA-N 2 1 328.500 3.205 20 0 EGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000479460731 459141794 /nfs/dbraw/zinc/14/17/94/459141794.db2.gz ZQWDZARJTDKYED-JBACZVJFSA-N 2 1 328.500 3.205 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000496374370 459169712 /nfs/dbraw/zinc/16/97/12/459169712.db2.gz CTEWXBYWVAEWPD-KLAILNCOSA-N 2 1 339.524 3.144 20 0 EGADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000521640661 459169973 /nfs/dbraw/zinc/16/99/73/459169973.db2.gz ZQWBLNNGRGSVIR-XOKHGSTOSA-N 2 1 344.421 3.401 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000521640661 459169979 /nfs/dbraw/zinc/16/99/79/459169979.db2.gz ZQWBLNNGRGSVIR-XOKHGSTOSA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000521640661 459169983 /nfs/dbraw/zinc/16/99/83/459169983.db2.gz ZQWBLNNGRGSVIR-XOKHGSTOSA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000521640661 459169987 /nfs/dbraw/zinc/16/99/87/459169987.db2.gz ZQWBLNNGRGSVIR-XOKHGSTOSA-N 2 1 344.421 3.401 20 0 EGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000567870701 459181823 /nfs/dbraw/zinc/18/18/23/459181823.db2.gz JMMRAYFRSUMRCO-WDEREUQCSA-N 2 1 337.265 3.055 20 0 EGADMP COc1cccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000480312596 459192860 /nfs/dbraw/zinc/19/28/60/459192860.db2.gz ZKFZXRLOWLKKEU-IEBWSBKVSA-N 2 1 339.483 3.481 20 0 EGADMP CC(C)N(C(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)C(C)C ZINC000590787211 459218870 /nfs/dbraw/zinc/21/88/70/459218870.db2.gz VCXJLJBKCNXCKV-KRWDZBQOSA-N 2 1 325.541 3.073 20 0 EGADMP C[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000480906222 459223664 /nfs/dbraw/zinc/22/36/64/459223664.db2.gz XRDGBWARDGBGHB-RBUKOAKNSA-N 2 1 347.547 3.400 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000590819037 459232597 /nfs/dbraw/zinc/23/25/97/459232597.db2.gz VAJZRCGGNTWPMV-UHFFFAOYSA-N 2 1 343.515 3.018 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000482133678 459292194 /nfs/dbraw/zinc/29/21/94/459292194.db2.gz DKWMUQHDVDHQKY-QAPCUYQASA-N 2 1 335.467 3.254 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(C)cc1 ZINC000482147553 459293618 /nfs/dbraw/zinc/29/36/18/459293618.db2.gz XJNTYBZYGVTPJR-WOJBJXKFSA-N 2 1 345.531 3.101 20 0 EGADMP CCCCc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000482546202 459313917 /nfs/dbraw/zinc/31/39/17/459313917.db2.gz DCDXDXQPRUJRHY-YLJYHZDGSA-N 2 1 345.531 3.267 20 0 EGADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000482644905 459319236 /nfs/dbraw/zinc/31/92/36/459319236.db2.gz UOUPNBCOHDAODZ-BRWVUGGUSA-N 2 1 344.421 3.244 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000534347010 459319938 /nfs/dbraw/zinc/31/99/38/459319938.db2.gz SFMBLCJZLOPEPM-UHFFFAOYSA-N 2 1 341.503 3.034 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1C(C)(C)C ZINC000534351890 459321270 /nfs/dbraw/zinc/32/12/70/459321270.db2.gz HKQLUSYCKBBMMI-IRXDYDNUSA-N 2 1 345.531 3.222 20 0 EGADMP CC[C@@H](C)C[N@@H+](CC)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000482856367 459326667 /nfs/dbraw/zinc/32/66/67/459326667.db2.gz KCDBOTWWIVWFHQ-GOSISDBHSA-N 2 1 345.531 3.267 20 0 EGADMP C[N@H+]1CC[C@@]2(CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)C2)C1 ZINC000496826282 459337762 /nfs/dbraw/zinc/33/77/62/459337762.db2.gz FHNTVCUUTXCIAY-LJQANCHMSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C2)C1 ZINC000496826282 459337766 /nfs/dbraw/zinc/33/77/66/459337766.db2.gz FHNTVCUUTXCIAY-LJQANCHMSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C2)C1 ZINC000496826282 459337774 /nfs/dbraw/zinc/33/77/74/459337774.db2.gz FHNTVCUUTXCIAY-LJQANCHMSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C2)C1 ZINC000496826282 459337779 /nfs/dbraw/zinc/33/77/79/459337779.db2.gz FHNTVCUUTXCIAY-LJQANCHMSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C2)C1 ZINC000496826282 459337784 /nfs/dbraw/zinc/33/77/84/459337784.db2.gz FHNTVCUUTXCIAY-LJQANCHMSA-N 2 1 339.524 3.050 20 0 EGADMP COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000524156290 459349690 /nfs/dbraw/zinc/34/96/90/459349690.db2.gz KCOAPZBJXPCSKN-INIZCTEOSA-N 2 1 347.503 3.074 20 0 EGADMP COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000524156290 459349694 /nfs/dbraw/zinc/34/96/94/459349694.db2.gz KCOAPZBJXPCSKN-INIZCTEOSA-N 2 1 347.503 3.074 20 0 EGADMP CCN1CCC([N@@H+](C)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496929309 459375703 /nfs/dbraw/zinc/37/57/03/459375703.db2.gz SHKFDDOXMYARGB-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+]1CCC([N@H+](C)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496929309 459375707 /nfs/dbraw/zinc/37/57/07/459375707.db2.gz SHKFDDOXMYARGB-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496929309 459375711 /nfs/dbraw/zinc/37/57/11/459375711.db2.gz SHKFDDOXMYARGB-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000560827082 459400391 /nfs/dbraw/zinc/40/03/91/459400391.db2.gz UTVAPYOFELOOQQ-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CC[N@H+]1C[C@H](C)[C@H](NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000484503833 459416392 /nfs/dbraw/zinc/41/63/92/459416392.db2.gz SWPAVZLSWJWZJZ-CGBFIWBNSA-N 2 1 329.532 3.073 20 0 EGADMP CCN1C[C@H](C)[C@H]([NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000484503833 459416397 /nfs/dbraw/zinc/41/63/97/459416397.db2.gz SWPAVZLSWJWZJZ-CGBFIWBNSA-N 2 1 329.532 3.073 20 0 EGADMP COc1cc2c(cc1C[NH2+]CCCCn1cc[nH+]c1C)O[C@@H](C)C2 ZINC000525184068 459424986 /nfs/dbraw/zinc/42/49/86/459424986.db2.gz JMQWCFHNAAHCFG-AWEZNQCLSA-N 2 1 329.444 3.094 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)C1 ZINC000582887313 459444635 /nfs/dbraw/zinc/44/46/35/459444635.db2.gz OFJIBGLIILQVMU-MNEFBYGVSA-N 2 1 336.907 3.362 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000541347928 459448057 /nfs/dbraw/zinc/44/80/57/459448057.db2.gz AENBZNOFQIWITL-UHFFFAOYSA-N 2 1 340.309 3.396 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000541347928 459448059 /nfs/dbraw/zinc/44/80/59/459448059.db2.gz AENBZNOFQIWITL-UHFFFAOYSA-N 2 1 340.309 3.396 20 0 EGADMP C[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000526119107 459551357 /nfs/dbraw/zinc/55/13/57/459551357.db2.gz BPAXZDMJUJBJFB-LAUBAEHRSA-N 2 1 342.458 3.156 20 0 EGADMP C[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000526119107 459551363 /nfs/dbraw/zinc/55/13/63/459551363.db2.gz BPAXZDMJUJBJFB-LAUBAEHRSA-N 2 1 342.458 3.156 20 0 EGADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000526119108 459551426 /nfs/dbraw/zinc/55/14/26/459551426.db2.gz BPAXZDMJUJBJFB-UTKZUKDTSA-N 2 1 342.458 3.156 20 0 EGADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000526119108 459551436 /nfs/dbraw/zinc/55/14/36/459551436.db2.gz BPAXZDMJUJBJFB-UTKZUKDTSA-N 2 1 342.458 3.156 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000542701803 459583355 /nfs/dbraw/zinc/58/33/55/459583355.db2.gz LCQXFOMUEZARAJ-OOFWQKGWSA-N 2 1 338.442 3.411 20 0 EGADMP CC(C)c1[nH+]c(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)c2ccccn21 ZINC000583816739 459601878 /nfs/dbraw/zinc/60/18/78/459601878.db2.gz JHOHBGVETCZHFZ-INIZCTEOSA-N 2 1 326.488 3.374 20 0 EGADMP CC(C)c1[nH+]c(CN2CC[N@H+](C3CC3)C[C@@H](C)C2)c2ccccn21 ZINC000583816739 459601884 /nfs/dbraw/zinc/60/18/84/459601884.db2.gz JHOHBGVETCZHFZ-INIZCTEOSA-N 2 1 326.488 3.374 20 0 EGADMP [NH3+]CCC1CC[NH+](Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000573009023 459610154 /nfs/dbraw/zinc/61/01/54/459610154.db2.gz MBIYMWJYWTYLBT-UHFFFAOYSA-N 2 1 349.475 3.422 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000573090137 459624696 /nfs/dbraw/zinc/62/46/96/459624696.db2.gz RYJGLNPQHJWMNK-IBGZPJMESA-N 2 1 326.488 3.027 20 0 EGADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000562958550 459680902 /nfs/dbraw/zinc/68/09/02/459680902.db2.gz MRLFSMQKEUXQOL-INDMIFKZSA-N 2 1 335.923 3.453 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000563115843 459718115 /nfs/dbraw/zinc/71/81/15/459718115.db2.gz PPPKEHQCHJHSDK-LJQANCHMSA-N 2 1 331.504 3.181 20 0 EGADMP COc1cc(OC)cc(Oc2ccc(C[N@@H+](C)CCC[NH3+])cc2)c1 ZINC000563129893 459721686 /nfs/dbraw/zinc/72/16/86/459721686.db2.gz QUNQIMKJXWKCMQ-UHFFFAOYSA-N 2 1 330.428 3.277 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000573813119 459740879 /nfs/dbraw/zinc/74/08/79/459740879.db2.gz KQJZVLPXRJOACL-INIZCTEOSA-N 2 1 341.377 3.085 20 0 EGADMP CC(C)[C@H](CN[C@H](C)[C@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000584463854 459745149 /nfs/dbraw/zinc/74/51/49/459745149.db2.gz KRVSYQMNFYEORY-LMNJBCLMSA-N 2 1 329.532 3.047 20 0 EGADMP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000584463854 459745158 /nfs/dbraw/zinc/74/51/58/459745158.db2.gz KRVSYQMNFYEORY-LMNJBCLMSA-N 2 1 329.532 3.047 20 0 EGADMP CC(C)(C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1)C(N)=O ZINC000574069981 459775697 /nfs/dbraw/zinc/77/56/97/459775697.db2.gz QPLGITQHKIITJW-QXAKKESOSA-N 2 1 343.515 3.093 20 0 EGADMP CC(C)(C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1)C(N)=O ZINC000574069981 459775702 /nfs/dbraw/zinc/77/57/02/459775702.db2.gz QPLGITQHKIITJW-QXAKKESOSA-N 2 1 343.515 3.093 20 0 EGADMP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)n2)c2ccccc21 ZINC000566062541 459800468 /nfs/dbraw/zinc/80/04/68/459800468.db2.gz CHIBPVNYNXODNS-UONOGXRCSA-N 2 1 337.345 3.214 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621655416 459997798 /nfs/dbraw/zinc/99/77/98/459997798.db2.gz MQVMHOAFFSXADF-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ccc(F)c(F)c3)C2)CC1 ZINC000610250481 460097638 /nfs/dbraw/zinc/09/76/38/460097638.db2.gz RFQCYTNJEKJHPQ-NVXWUHKLSA-N 2 1 337.458 3.126 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccc(F)c(F)c3)C2)CC1 ZINC000610250481 460097646 /nfs/dbraw/zinc/09/76/46/460097646.db2.gz RFQCYTNJEKJHPQ-NVXWUHKLSA-N 2 1 337.458 3.126 20 0 EGADMP COC(=O)CC1CCC([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000599041624 460136945 /nfs/dbraw/zinc/13/69/45/460136945.db2.gz FVGNBFZOIZOSBN-RZZCCWGQSA-N 2 1 336.520 3.351 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)c2ccccc21 ZINC000599069668 460150269 /nfs/dbraw/zinc/15/02/69/460150269.db2.gz IFADHBGMVMXTJN-AHRSYUTCSA-N 2 1 344.499 3.490 20 0 EGADMP COc1ccc(F)c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000622043924 460169543 /nfs/dbraw/zinc/16/95/43/460169543.db2.gz PQALMCUMEOYZEZ-AZUAARDMSA-N 2 1 342.414 3.180 20 0 EGADMP COC(=O)CCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000599308270 460223050 /nfs/dbraw/zinc/22/30/50/460223050.db2.gz SPTGXGCLXHRBMR-OAQYLSRUSA-N 2 1 344.499 3.318 20 0 EGADMP COC(=O)CCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000599308270 460223054 /nfs/dbraw/zinc/22/30/54/460223054.db2.gz SPTGXGCLXHRBMR-OAQYLSRUSA-N 2 1 344.499 3.318 20 0 EGADMP COC(=O)CCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000599308270 460223059 /nfs/dbraw/zinc/22/30/59/460223059.db2.gz SPTGXGCLXHRBMR-OAQYLSRUSA-N 2 1 344.499 3.318 20 0 EGADMP CCN(CC[NH3+])C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000625832492 460277943 /nfs/dbraw/zinc/27/79/43/460277943.db2.gz DLEOBHYYBQIUBB-UHFFFAOYSA-N 2 1 332.492 3.264 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CC)C[C@H]2CC)cc1 ZINC000622651728 460290490 /nfs/dbraw/zinc/29/04/90/460290490.db2.gz PXNWLBYTIGGNDJ-HXUWFJFHSA-N 2 1 345.531 3.475 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](CC)C[C@H]2CC)cc1 ZINC000622651728 460290493 /nfs/dbraw/zinc/29/04/93/460290493.db2.gz PXNWLBYTIGGNDJ-HXUWFJFHSA-N 2 1 345.531 3.475 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](CC)C[C@H]2CC)cc1 ZINC000622651728 460290498 /nfs/dbraw/zinc/29/04/98/460290498.db2.gz PXNWLBYTIGGNDJ-HXUWFJFHSA-N 2 1 345.531 3.475 20 0 EGADMP CC(C)=C[C@@H]1[C@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1(C)C ZINC000619176722 460290704 /nfs/dbraw/zinc/29/07/04/460290704.db2.gz IJMZLPAELJRHLH-CRAIPNDOSA-N 2 1 342.487 3.010 20 0 EGADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000622753215 460304922 /nfs/dbraw/zinc/30/49/22/460304922.db2.gz TZWGVIQUIHLZJC-FXAWDEMLSA-N 2 1 347.547 3.307 20 0 EGADMP O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622753215 460304926 /nfs/dbraw/zinc/30/49/26/460304926.db2.gz TZWGVIQUIHLZJC-FXAWDEMLSA-N 2 1 347.547 3.307 20 0 EGADMP O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000622753215 460304929 /nfs/dbraw/zinc/30/49/29/460304929.db2.gz TZWGVIQUIHLZJC-FXAWDEMLSA-N 2 1 347.547 3.307 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000626062652 460358892 /nfs/dbraw/zinc/35/88/92/460358892.db2.gz AFKXVIBRPIWOTJ-NRFANRHFSA-N 2 1 326.484 3.174 20 0 EGADMP CC[N@H+](CC(=O)NCCC(C)(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062769 460359641 /nfs/dbraw/zinc/35/96/41/460359641.db2.gz GBXMPNGVCSXJMP-UHFFFAOYSA-N 2 1 333.520 3.123 20 0 EGADMP CC[N@@H+](CC(=O)NCCC(C)(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062769 460359645 /nfs/dbraw/zinc/35/96/45/460359645.db2.gz GBXMPNGVCSXJMP-UHFFFAOYSA-N 2 1 333.520 3.123 20 0 EGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000611438978 460365425 /nfs/dbraw/zinc/36/54/25/460365425.db2.gz BZOZQKJFZVNFMI-ROUUACIJSA-N 2 1 330.472 3.358 20 0 EGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000611438978 460365428 /nfs/dbraw/zinc/36/54/28/460365428.db2.gz BZOZQKJFZVNFMI-ROUUACIJSA-N 2 1 330.472 3.358 20 0 EGADMP CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000626159114 460405863 /nfs/dbraw/zinc/40/58/63/460405863.db2.gz HDPHXNFMKZVOBF-OAQYLSRUSA-N 2 1 343.515 3.163 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]Cc1oc2ccccc2c1Br ZINC000623085890 460406582 /nfs/dbraw/zinc/40/65/82/460406582.db2.gz LLYKTXZTZBRTRW-UHFFFAOYSA-N 2 1 334.217 3.261 20 0 EGADMP Cc1nn2c(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)c(C(C)C)nc2s1 ZINC000634732973 460498136 /nfs/dbraw/zinc/49/81/36/460498136.db2.gz SRQOJKODAKIPFA-ZDUSSCGKSA-N 2 1 335.521 3.090 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)[C@H](C)C1 ZINC000631668125 460501622 /nfs/dbraw/zinc/50/16/22/460501622.db2.gz VSQCDXCZFZPECP-ZSXPUABSSA-N 2 1 329.532 3.074 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@H](C)C1 ZINC000631668125 460501627 /nfs/dbraw/zinc/50/16/27/460501627.db2.gz VSQCDXCZFZPECP-ZSXPUABSSA-N 2 1 329.532 3.074 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@H](C)C1 ZINC000631668125 460501632 /nfs/dbraw/zinc/50/16/32/460501632.db2.gz VSQCDXCZFZPECP-ZSXPUABSSA-N 2 1 329.532 3.074 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)[C@H](C)C1 ZINC000631668125 460501635 /nfs/dbraw/zinc/50/16/35/460501635.db2.gz VSQCDXCZFZPECP-ZSXPUABSSA-N 3 1 329.532 3.074 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)[C@H](C)C1 ZINC000631668125 460501639 /nfs/dbraw/zinc/50/16/39/460501639.db2.gz VSQCDXCZFZPECP-ZSXPUABSSA-N 3 1 329.532 3.074 20 0 EGADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@H](C)C1 ZINC000631668125 460501642 /nfs/dbraw/zinc/50/16/42/460501642.db2.gz VSQCDXCZFZPECP-ZSXPUABSSA-N 3 1 329.532 3.074 20 0 EGADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@H](C)C1 ZINC000631668125 460501647 /nfs/dbraw/zinc/50/16/47/460501647.db2.gz VSQCDXCZFZPECP-ZSXPUABSSA-N 3 1 329.532 3.074 20 0 EGADMP CC(C)[NH+]1CCC(NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631667365 460502043 /nfs/dbraw/zinc/50/20/43/460502043.db2.gz OIZRELGRSLRZNZ-ICSRJNTNSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631667365 460502051 /nfs/dbraw/zinc/50/20/51/460502051.db2.gz OIZRELGRSLRZNZ-ICSRJNTNSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631667365 460502054 /nfs/dbraw/zinc/50/20/54/460502054.db2.gz OIZRELGRSLRZNZ-ICSRJNTNSA-N 3 1 329.532 3.217 20 0 EGADMP c1[nH]nc2cccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)c12 ZINC000623356396 460507362 /nfs/dbraw/zinc/50/73/62/460507362.db2.gz NDQORGKCOPEHSH-UHFFFAOYSA-N 2 1 334.467 3.360 20 0 EGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1c1[nH+]cnc2[nH]ccc21 ZINC000634807814 460531836 /nfs/dbraw/zinc/53/18/36/460531836.db2.gz BNJIJHHMPWTUOI-WMZOPIPTSA-N 2 1 335.455 3.134 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000635345029 460749039 /nfs/dbraw/zinc/74/90/39/460749039.db2.gz JVWNZJVAQZYZAN-MRXNPFEDSA-N 2 1 329.488 3.341 20 0 EGADMP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCc3scnc32)cc1 ZINC000623866534 460751282 /nfs/dbraw/zinc/75/12/82/460751282.db2.gz ZKQAKHKRWKCOLV-MRXNPFEDSA-N 2 1 331.485 3.251 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](CCOc2cccc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000629568871 460812460 /nfs/dbraw/zinc/81/24/60/460812460.db2.gz VIWIAQZDNASDLD-FZMZJTMJSA-N 2 1 336.785 3.178 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCOc2cccc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000629568871 460812466 /nfs/dbraw/zinc/81/24/66/460812466.db2.gz VIWIAQZDNASDLD-FZMZJTMJSA-N 2 1 336.785 3.178 20 0 EGADMP CC(C)c1ccsc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000601472536 460818016 /nfs/dbraw/zinc/81/80/16/460818016.db2.gz NTHNXLLLOXLEEH-MRXNPFEDSA-N 2 1 349.544 3.112 20 0 EGADMP CC(C)c1ccsc1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000601472536 460818022 /nfs/dbraw/zinc/81/80/22/460818022.db2.gz NTHNXLLLOXLEEH-MRXNPFEDSA-N 2 1 349.544 3.112 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccc3c(c2)CCO3)CC[C@H]1C(F)(F)F ZINC000629656383 460851304 /nfs/dbraw/zinc/85/13/04/460851304.db2.gz NYPZQNGLRUBYRH-HZPDHXFCSA-N 2 1 342.405 3.013 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cncc(Br)c1 ZINC000624122964 460872266 /nfs/dbraw/zinc/87/22/66/460872266.db2.gz BUUUSYKGVDEINT-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cncc(Br)c1 ZINC000624122964 460872274 /nfs/dbraw/zinc/87/22/74/460872274.db2.gz BUUUSYKGVDEINT-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Br)cn1 ZINC000624123545 460872650 /nfs/dbraw/zinc/87/26/50/460872650.db2.gz NWEWRPGQZUGOFD-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(Br)cn1 ZINC000624123545 460872653 /nfs/dbraw/zinc/87/26/53/460872653.db2.gz NWEWRPGQZUGOFD-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Br)cn1 ZINC000624123545 460872657 /nfs/dbraw/zinc/87/26/57/460872657.db2.gz NWEWRPGQZUGOFD-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000635759891 460912002 /nfs/dbraw/zinc/91/20/02/460912002.db2.gz KOQSRHRGQPMCQO-UHFFFAOYSA-N 2 1 340.471 3.284 20 0 EGADMP C[C@@H]1C[C@H](N[C@H](CCO)c2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000624289843 460945681 /nfs/dbraw/zinc/94/56/81/460945681.db2.gz QASHTXDYTJGCGQ-HFBAOOFYSA-N 2 1 331.287 3.489 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CCN1C ZINC000624289843 460945686 /nfs/dbraw/zinc/94/56/86/460945686.db2.gz QASHTXDYTJGCGQ-HFBAOOFYSA-N 2 1 331.287 3.489 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000624289843 460945689 /nfs/dbraw/zinc/94/56/89/460945689.db2.gz QASHTXDYTJGCGQ-HFBAOOFYSA-N 2 1 331.287 3.489 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000624289843 460945694 /nfs/dbraw/zinc/94/56/94/460945694.db2.gz QASHTXDYTJGCGQ-HFBAOOFYSA-N 2 1 331.287 3.489 20 0 EGADMP CCOc1cncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000621339674 460996592 /nfs/dbraw/zinc/99/65/92/460996592.db2.gz HSJCMGGYMKNWFU-LAUBAEHRSA-N 2 1 339.483 3.481 20 0 EGADMP CCOc1cncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000621339674 460996595 /nfs/dbraw/zinc/99/65/95/460996595.db2.gz HSJCMGGYMKNWFU-LAUBAEHRSA-N 2 1 339.483 3.481 20 0 EGADMP C[NH+](C)Cc1cccc(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000621379648 461014519 /nfs/dbraw/zinc/01/45/19/461014519.db2.gz PWSCADZUJWAJRT-UHFFFAOYSA-N 2 1 332.492 3.086 20 0 EGADMP Cc1ccc([C@H](C)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000628236416 461057089 /nfs/dbraw/zinc/05/70/89/461057089.db2.gz AFYUNJIUIYGPRO-GCJKJVERSA-N 2 1 338.495 3.455 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3nc4ccccc4s3)C2)C1 ZINC000652349555 461144327 /nfs/dbraw/zinc/14/43/27/461144327.db2.gz SKRHYPWTHALDMI-SQWLQELKSA-N 2 1 331.485 3.015 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)[C@H]1CC[NH3+] ZINC000652353922 461149830 /nfs/dbraw/zinc/14/98/30/461149830.db2.gz HBMWXUGLIVRGCM-WBMJQRKESA-N 2 1 341.858 3.257 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(F)ccc2Cl)C1 ZINC000652363426 461157659 /nfs/dbraw/zinc/15/76/59/461157659.db2.gz DNILBPIDHITNMB-DJIMGWMZSA-N 2 1 326.843 3.340 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641168433 461162771 /nfs/dbraw/zinc/16/27/71/461162771.db2.gz FEMUDLYWFFHARN-SJLPKXTDSA-N 2 1 347.894 3.243 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC000662290621 461168113 /nfs/dbraw/zinc/16/81/13/461168113.db2.gz GLPWPVQYBWSOOD-WBVHZDCISA-N 2 1 347.478 3.173 20 0 EGADMP Cc1cncc(CC[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)n1 ZINC000649549160 461169401 /nfs/dbraw/zinc/16/94/01/461169401.db2.gz WCVPALCYWFDHJL-RXVVDRJESA-N 2 1 338.499 3.312 20 0 EGADMP Cc1cncc(CCN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000649549160 461169408 /nfs/dbraw/zinc/16/94/08/461169408.db2.gz WCVPALCYWFDHJL-RXVVDRJESA-N 2 1 338.499 3.312 20 0 EGADMP Cc1cncc(CCN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000649549160 461169418 /nfs/dbraw/zinc/16/94/18/461169418.db2.gz WCVPALCYWFDHJL-RXVVDRJESA-N 2 1 338.499 3.312 20 0 EGADMP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292215 461169643 /nfs/dbraw/zinc/16/96/43/461169643.db2.gz CDGDMXKYZKHEMN-APWZRJJASA-N 2 1 343.515 3.288 20 0 EGADMP C[N@H+]1CCC[C@@H]1CN1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000649552037 461170796 /nfs/dbraw/zinc/17/07/96/461170796.db2.gz VDWIRKSUNZLNHY-HBMCJLEFSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1CCC[C@@H]1CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000649552037 461170802 /nfs/dbraw/zinc/17/08/02/461170802.db2.gz VDWIRKSUNZLNHY-HBMCJLEFSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1CCC[C@@H]1CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000649552037 461170809 /nfs/dbraw/zinc/17/08/09/461170809.db2.gz VDWIRKSUNZLNHY-HBMCJLEFSA-N 2 1 327.516 3.067 20 0 EGADMP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298364 461176540 /nfs/dbraw/zinc/17/65/40/461176540.db2.gz VRYLONVPYQWWPD-ZBFHGGJFSA-N 2 1 340.471 3.108 20 0 EGADMP Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000662316990 461187758 /nfs/dbraw/zinc/18/77/58/461187758.db2.gz YULWGBKWEMEWFN-NVXWUHKLSA-N 2 1 328.460 3.384 20 0 EGADMP C[C@@H](c1ccncc1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327482 461195017 /nfs/dbraw/zinc/19/50/17/461195017.db2.gz PEBXGNXJFSIERK-HNNXBMFYSA-N 2 1 339.487 3.212 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638122591 461255723 /nfs/dbraw/zinc/25/57/23/461255723.db2.gz KWXIPOOIFKELRJ-QAPCUYQASA-N 2 1 332.488 3.355 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638122591 461255730 /nfs/dbraw/zinc/25/57/30/461255730.db2.gz KWXIPOOIFKELRJ-QAPCUYQASA-N 2 1 332.488 3.355 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cccc2c1C[NH2+]C2 ZINC000662472905 461257026 /nfs/dbraw/zinc/25/70/26/461257026.db2.gz QLUMYMCYUNEPPF-KRWDZBQOSA-N 2 1 349.478 3.026 20 0 EGADMP C[C@H]1C[C@H](NC(=O)c2cccc3c2C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000662492601 461268754 /nfs/dbraw/zinc/26/87/54/461268754.db2.gz MNPBCXHUDMCXEF-QFBILLFUSA-N 2 1 349.478 3.073 20 0 EGADMP CC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000633944394 461342155 /nfs/dbraw/zinc/34/21/55/461342155.db2.gz RRJHODGQCIUSLP-SFHVURJKSA-N 2 1 347.547 3.118 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1cccc(Cl)c1Cl ZINC000641804023 461380168 /nfs/dbraw/zinc/38/01/68/461380168.db2.gz HEQFQUNDGJIABA-XXILOJSOSA-N 2 1 330.259 3.036 20 0 EGADMP c1ccc(SC2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)cc1 ZINC000655712573 461382712 /nfs/dbraw/zinc/38/27/12/461382712.db2.gz UTHRZRGZJUVTCT-KRWDZBQOSA-N 2 1 332.513 3.154 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]CCCc3cnn(C)c3)cc2)C1 ZINC000638363579 461387502 /nfs/dbraw/zinc/38/75/02/461387502.db2.gz PHWXZVLMLCJBEK-GOSISDBHSA-N 2 1 340.515 3.374 20 0 EGADMP [NH3+][C@H](CCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)CC1CCCCC1 ZINC000662835403 461388595 /nfs/dbraw/zinc/38/85/95/461388595.db2.gz NNGXDYSMIRYDKH-QYZOEREBSA-N 2 1 335.536 3.197 20 0 EGADMP CCC(CC)[C@H](CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)OC ZINC000655734449 461403280 /nfs/dbraw/zinc/40/32/80/461403280.db2.gz INCJKVQBMMRWBX-OALUTQOASA-N 2 1 326.525 3.061 20 0 EGADMP COc1cccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)c1 ZINC000655774071 461437169 /nfs/dbraw/zinc/43/71/69/461437169.db2.gz PDMGMDGMKIFNRR-CUWPLCDZSA-N 2 1 344.499 3.174 20 0 EGADMP O=C1Nc2ccccc2CC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000655791021 461449641 /nfs/dbraw/zinc/44/96/41/461449641.db2.gz XQRUIHMJOXYWGT-HXUWFJFHSA-N 2 1 341.499 3.327 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1O ZINC000668820345 461452332 /nfs/dbraw/zinc/45/23/32/461452332.db2.gz UHVDQUJVLITELS-QFBILLFUSA-N 2 1 346.515 3.434 20 0 EGADMP c1ccc([C@@H]2C[C@@H](N[C@H]3CC[N@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638565841 461487401 /nfs/dbraw/zinc/48/74/01/461487401.db2.gz XWFOBYHYTLFHIN-WFXMLNOXSA-N 2 1 325.500 3.181 20 0 EGADMP c1ccc([C@@H]2C[C@@H](N[C@H]3CC[NH+](C4CC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000638565841 461487409 /nfs/dbraw/zinc/48/74/09/461487409.db2.gz XWFOBYHYTLFHIN-WFXMLNOXSA-N 2 1 325.500 3.181 20 0 EGADMP c1ccc([C@@H]2C[C@@H](N[C@H]3CC[NH+](C4CC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000638565841 461487414 /nfs/dbraw/zinc/48/74/14/461487414.db2.gz XWFOBYHYTLFHIN-WFXMLNOXSA-N 2 1 325.500 3.181 20 0 EGADMP C[C@H](CN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)[NH+](C)C1CC1 ZINC000638574778 461492446 /nfs/dbraw/zinc/49/24/46/461492446.db2.gz HRGQNXRSOFCDKC-PLMTUMEDSA-N 2 1 327.516 3.427 20 0 EGADMP C[C@H](CN[C@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1)[N@H+](C)C1CC1 ZINC000638574778 461492450 /nfs/dbraw/zinc/49/24/50/461492450.db2.gz HRGQNXRSOFCDKC-PLMTUMEDSA-N 2 1 327.516 3.427 20 0 EGADMP C[C@H](CN[C@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000638574778 461492460 /nfs/dbraw/zinc/49/24/60/461492460.db2.gz HRGQNXRSOFCDKC-PLMTUMEDSA-N 2 1 327.516 3.427 20 0 EGADMP CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000659946047 461508536 /nfs/dbraw/zinc/50/85/36/461508536.db2.gz ZBDJUAJQEAFTLO-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(F)c1N ZINC000638716877 461546986 /nfs/dbraw/zinc/54/69/86/461546986.db2.gz DDLOCEMLJMPUQD-DNVCBOLYSA-N 2 1 327.447 3.408 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(F)c1N ZINC000638716877 461546994 /nfs/dbraw/zinc/54/69/94/461546994.db2.gz DDLOCEMLJMPUQD-DNVCBOLYSA-N 2 1 327.447 3.408 20 0 EGADMP CC[C@H](C)Oc1cc(C)ccc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638743181 461558605 /nfs/dbraw/zinc/55/86/05/461558605.db2.gz BZDQQYHEUAKNSM-KRWDZBQOSA-N 2 1 348.531 3.497 20 0 EGADMP OC[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638760335 461564061 /nfs/dbraw/zinc/56/40/61/461564061.db2.gz OMIZYFYZWYJGFZ-WQZMEWCLSA-N 2 1 328.500 3.495 20 0 EGADMP OC[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638760335 461564066 /nfs/dbraw/zinc/56/40/66/461564066.db2.gz OMIZYFYZWYJGFZ-WQZMEWCLSA-N 2 1 328.500 3.495 20 0 EGADMP c1csc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347437 461577364 /nfs/dbraw/zinc/57/73/64/461577364.db2.gz KLTXYNFAXIORJK-OAHLLOKOSA-N 2 1 330.501 3.350 20 0 EGADMP CC[NH+](CC)CCOc1ccc(CNc2cc(CO)cc(C)[nH+]2)cc1 ZINC000663389393 461610373 /nfs/dbraw/zinc/61/03/73/461610373.db2.gz OJRLKINOYWFRSM-UHFFFAOYSA-N 2 1 343.471 3.215 20 0 EGADMP c1ccc([C@@H]2C[C@H](NCCC[NH+]3CCCC3)CC[N@H+]2C2CC2)cc1 ZINC000638849273 461615461 /nfs/dbraw/zinc/61/54/61/461615461.db2.gz RSWHSQLAAASUBZ-CTNGQTDRSA-N 3 1 327.516 3.430 20 0 EGADMP C[N@@H+]1CCCC12CC[NH+](CC[C@@H]1Sc3ccccc3NC1=O)CC2 ZINC000660167405 461615890 /nfs/dbraw/zinc/61/58/90/461615890.db2.gz SNFZXCGQOGYFFQ-KRWDZBQOSA-N 2 1 345.512 3.050 20 0 EGADMP C[N@H+]1CCCC12CC[NH+](CC[C@@H]1Sc3ccccc3NC1=O)CC2 ZINC000660167405 461615894 /nfs/dbraw/zinc/61/58/94/461615894.db2.gz SNFZXCGQOGYFFQ-KRWDZBQOSA-N 2 1 345.512 3.050 20 0 EGADMP CCn1nc(C)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000631196205 461636353 /nfs/dbraw/zinc/63/63/53/461636353.db2.gz OSIZBAFOJSAERU-UZLBHIALSA-N 2 1 340.515 3.378 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(OC)c1 ZINC000663470628 461660304 /nfs/dbraw/zinc/66/03/04/461660304.db2.gz VQYYFVYILDCPNG-DOTOQJQBSA-N 2 1 332.488 3.476 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(OC)c1 ZINC000663470628 461660307 /nfs/dbraw/zinc/66/03/07/461660307.db2.gz VQYYFVYILDCPNG-DOTOQJQBSA-N 2 1 332.488 3.476 20 0 EGADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470137 461660719 /nfs/dbraw/zinc/66/07/19/461660719.db2.gz SJSUZGZVYTUAEA-IEBWSBKVSA-N 2 1 343.515 3.424 20 0 EGADMP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000656252206 461673960 /nfs/dbraw/zinc/67/39/60/461673960.db2.gz SUWURXYVQIHURM-UHFFFAOYSA-N 2 1 326.488 3.263 20 0 EGADMP C[C@H]1C[N@@H+]([C@H](CNc2[nH+]ccc3[nH]ccc32)c2cccs2)CCO1 ZINC000663562396 461704722 /nfs/dbraw/zinc/70/47/22/461704722.db2.gz HQVJPPPLYDHTQA-XJKSGUPXSA-N 2 1 342.468 3.498 20 0 EGADMP C[C@H]1C[N@H+]([C@H](CNc2[nH+]ccc3[nH]ccc32)c2cccs2)CCO1 ZINC000663562396 461704729 /nfs/dbraw/zinc/70/47/29/461704729.db2.gz HQVJPPPLYDHTQA-XJKSGUPXSA-N 2 1 342.468 3.498 20 0 EGADMP C[NH+](C)C1(CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000639085237 461718881 /nfs/dbraw/zinc/71/88/81/461718881.db2.gz DQMJTFJGDRMSNW-UYAOXDASSA-N 2 1 327.516 3.428 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647496781 461735093 /nfs/dbraw/zinc/73/50/93/461735093.db2.gz QXKHAFACTXUGSZ-ZBFHGGJFSA-N 2 1 332.879 3.144 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647496781 461735102 /nfs/dbraw/zinc/73/51/02/461735102.db2.gz QXKHAFACTXUGSZ-ZBFHGGJFSA-N 2 1 332.879 3.144 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2c(C)nn(Cc3ccccc3)c2C)CC[C@@H]1[NH3+] ZINC000647498252 461737259 /nfs/dbraw/zinc/73/72/59/461737259.db2.gz DEDJTDDBEFDHQP-ICSRJNTNSA-N 2 1 326.488 3.107 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@@H]1[NH3+] ZINC000647498148 461737373 /nfs/dbraw/zinc/73/73/73/461737373.db2.gz BLKVMBAXKOCQKI-ICSRJNTNSA-N 2 1 325.456 3.220 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnn(Cc4ccccc4Cl)c3)C[C@H]21 ZINC000647511408 461740156 /nfs/dbraw/zinc/74/01/56/461740156.db2.gz IQDIACCQHDMWTK-KVSKMBFKSA-N 2 1 344.890 3.144 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC[C@H]4CCCC[NH2+]4)[C@@H]3C2)cc1 ZINC000643501646 461747387 /nfs/dbraw/zinc/74/73/87/461747387.db2.gz NCLYCIJPJNEXCO-BQJUDKOJSA-N 2 1 327.516 3.019 20 0 EGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000653595904 461749195 /nfs/dbraw/zinc/74/91/95/461749195.db2.gz YBSITRANIHGQBK-UHFFFAOYSA-N 2 1 331.435 3.173 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@H+](CCC[NH3+])Cc2ccccc2)o1 ZINC000647535325 461753006 /nfs/dbraw/zinc/75/30/06/461753006.db2.gz YAMNVQNULUIGAR-UHFFFAOYSA-N 2 1 338.455 3.340 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@@H+](CCC[NH3+])Cc2ccccc2)o1 ZINC000647535325 461753013 /nfs/dbraw/zinc/75/30/13/461753013.db2.gz YAMNVQNULUIGAR-UHFFFAOYSA-N 2 1 338.455 3.340 20 0 EGADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543095 461756299 /nfs/dbraw/zinc/75/62/99/461756299.db2.gz HNDZCLMHLMXQJQ-IRXDYDNUSA-N 2 1 342.462 3.427 20 0 EGADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543096 461757542 /nfs/dbraw/zinc/75/75/42/461757542.db2.gz HNDZCLMHLMXQJQ-SJORKVTESA-N 2 1 342.462 3.427 20 0 EGADMP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543312 461757621 /nfs/dbraw/zinc/75/76/21/461757621.db2.gz KXIKVPVFYDJJGL-JKSUJKDBSA-N 2 1 342.462 3.427 20 0 EGADMP COc1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)O[C@@H](C)C2 ZINC000647543719 461759353 /nfs/dbraw/zinc/75/93/53/461759353.db2.gz RLPPTYGUPFHEMH-ULQDDVLXSA-N 2 1 344.499 3.230 20 0 EGADMP COc1cc(Cl)c(CN2CC[C@@H](c3nccn3C)C2)cc1OC ZINC000639178039 461785936 /nfs/dbraw/zinc/78/59/36/461785936.db2.gz YINPKHVPYMMIRO-GFCCVEGCSA-N 2 1 335.835 3.080 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@H](C)CN1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660533066 461836204 /nfs/dbraw/zinc/83/62/04/461836204.db2.gz BJSJGGHDZQBTEJ-LNLFQRSKSA-N 2 1 334.504 3.169 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000660533066 461836208 /nfs/dbraw/zinc/83/62/08/461836208.db2.gz BJSJGGHDZQBTEJ-LNLFQRSKSA-N 2 1 334.504 3.169 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000660533066 461836214 /nfs/dbraw/zinc/83/62/14/461836214.db2.gz BJSJGGHDZQBTEJ-LNLFQRSKSA-N 2 1 334.504 3.169 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@H](C)C[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000660533066 461836222 /nfs/dbraw/zinc/83/62/22/461836222.db2.gz BJSJGGHDZQBTEJ-LNLFQRSKSA-N 2 1 334.504 3.169 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@H](C)C[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660533066 461836224 /nfs/dbraw/zinc/83/62/24/461836224.db2.gz BJSJGGHDZQBTEJ-LNLFQRSKSA-N 2 1 334.504 3.169 20 0 EGADMP Brc1cccc(OCC[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814831 461848866 /nfs/dbraw/zinc/84/88/66/461848866.db2.gz HYJPVNKBHNHNAH-UHFFFAOYSA-N 2 1 339.277 3.044 20 0 EGADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656784508 461894441 /nfs/dbraw/zinc/89/44/41/461894441.db2.gz DPCYRSDICMGTJO-MRXNPFEDSA-N 2 1 336.549 3.201 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)C1 ZINC000650705556 461897801 /nfs/dbraw/zinc/89/78/01/461897801.db2.gz LGIVYSMYETXBKA-UXLLHSPISA-N 2 1 340.414 3.006 20 0 EGADMP Brc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000656786752 461898518 /nfs/dbraw/zinc/89/85/18/461898518.db2.gz XJFOVYMIQVTELJ-AWEZNQCLSA-N 2 1 338.293 3.056 20 0 EGADMP [NH3+]C1(C[NH2+]Cc2ccc(Br)c3cccnc23)CCCC1 ZINC000656789514 461899631 /nfs/dbraw/zinc/89/96/31/461899631.db2.gz PHDOWBGDOBEZRH-UHFFFAOYSA-N 2 1 334.261 3.358 20 0 EGADMP CCOc1c(OC)cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1OC ZINC000650711190 461904838 /nfs/dbraw/zinc/90/48/38/461904838.db2.gz LESMPRUFSKZCFJ-GOEBONIOSA-N 2 1 336.476 3.052 20 0 EGADMP Clc1ccccc1Cn1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000666998153 461905586 /nfs/dbraw/zinc/90/55/86/461905586.db2.gz FJNMHQJHBIWFHS-KRWDZBQOSA-N 2 1 344.890 3.349 20 0 EGADMP c1ccc(COc2ccccc2C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)nc1 ZINC000666998514 461905890 /nfs/dbraw/zinc/90/58/90/461905890.db2.gz XXXCAISXKSYEFL-SFHVURJKSA-N 2 1 337.467 3.425 20 0 EGADMP CC1(C)Cc2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)ccc2O1 ZINC000650723915 461916893 /nfs/dbraw/zinc/91/68/93/461916893.db2.gz VTYSIHROIQMPFI-GGPKGHCWSA-N 2 1 344.499 3.261 20 0 EGADMP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647974958 461917291 /nfs/dbraw/zinc/91/72/91/461917291.db2.gz DIMQDSUBFSZPDM-CVEARBPZSA-N 2 1 349.906 3.299 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975330 461917546 /nfs/dbraw/zinc/91/75/46/461917546.db2.gz WIFKUCHHGXQMFZ-JKSUJKDBSA-N 2 1 349.906 3.299 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975327 461917763 /nfs/dbraw/zinc/91/77/63/461917763.db2.gz WIFKUCHHGXQMFZ-CVEARBPZSA-N 2 1 349.906 3.299 20 0 EGADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977950 461920443 /nfs/dbraw/zinc/92/04/43/461920443.db2.gz KCLLBRAVDFGTHI-WDSOQIARSA-N 2 1 343.515 3.288 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC000650742115 461929360 /nfs/dbraw/zinc/92/93/60/461929360.db2.gz RITSHSGFWIITMS-KDOFPFPSSA-N 2 1 329.419 3.491 20 0 EGADMP COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1OC ZINC000650753707 461935034 /nfs/dbraw/zinc/93/50/34/461935034.db2.gz TVIWYYQQEJZNAV-NSHDSACASA-N 2 1 336.382 3.292 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000648035896 461952023 /nfs/dbraw/zinc/95/20/23/461952023.db2.gz UJHFDYHJOYQXBS-KRWDZBQOSA-N 2 1 342.487 3.152 20 0 EGADMP CC(C)([NH3+])CCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000648167678 461995915 /nfs/dbraw/zinc/99/59/15/461995915.db2.gz LOLYFKNCWIQZMO-OALUTQOASA-N 2 1 343.515 3.017 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc2n1CCC2 ZINC000657311899 462036179 /nfs/dbraw/zinc/03/61/79/462036179.db2.gz YQXSCCCUCGPEDU-KRWDZBQOSA-N 3 1 338.499 3.494 20 0 EGADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1cnc2n1CCC2 ZINC000657311899 462036186 /nfs/dbraw/zinc/03/61/86/462036186.db2.gz YQXSCCCUCGPEDU-KRWDZBQOSA-N 3 1 338.499 3.494 20 0 EGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3ccnn3CC3CC3)C2)c1 ZINC000657338342 462056626 /nfs/dbraw/zinc/05/66/26/462056626.db2.gz NNYQQOZQLYPGQL-QGZVFWFLSA-N 2 1 344.528 3.356 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3ccnn3CC3CC3)C2)c1 ZINC000657338342 462056628 /nfs/dbraw/zinc/05/66/28/462056628.db2.gz NNYQQOZQLYPGQL-QGZVFWFLSA-N 2 1 344.528 3.356 20 0 EGADMP CCc1cccc2cc(C[NH2+]CCCC[N@H+]3CCC[C@H]3CO)oc21 ZINC000657357067 462068933 /nfs/dbraw/zinc/06/89/33/462068933.db2.gz VZUMOKJQFHFBTF-SFHVURJKSA-N 2 1 330.472 3.322 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000667681570 462211221 /nfs/dbraw/zinc/21/12/21/462211221.db2.gz MBLGIVIFHONADK-INIZCTEOSA-N 2 1 333.501 3.229 20 0 EGADMP CCCC[N@H+](C)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000648782164 462274786 /nfs/dbraw/zinc/27/47/86/462274786.db2.gz VTCURKUUWRFQBI-KRWDZBQOSA-N 2 1 348.535 3.367 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000648782164 462274791 /nfs/dbraw/zinc/27/47/91/462274791.db2.gz VTCURKUUWRFQBI-KRWDZBQOSA-N 2 1 348.535 3.367 20 0 EGADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(COC[C@H]2CCCO2)c1 ZINC000657802633 462275879 /nfs/dbraw/zinc/27/58/79/462275879.db2.gz COVNHTKVTNLAAP-QHAWAJNXSA-N 2 1 344.499 3.099 20 0 EGADMP CCOC1CCC([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000657868498 462302765 /nfs/dbraw/zinc/30/27/65/462302765.db2.gz UMNVERPVUXKOAG-QNGMFEMESA-N 2 1 330.516 3.488 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnnn2-c2ccccc2)c1 ZINC000651688973 462304967 /nfs/dbraw/zinc/30/49/67/462304967.db2.gz BOWPETKJEPNWQL-UHFFFAOYSA-N 2 1 349.482 3.397 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)[C@H](C)C1 ZINC000658068068 462364639 /nfs/dbraw/zinc/36/46/39/462364639.db2.gz BOFIRQVOAKELLQ-NUJGCVRESA-N 2 1 335.923 3.486 20 0 EGADMP CC[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658076292 462371842 /nfs/dbraw/zinc/37/18/42/462371842.db2.gz IUISCVYTMKHQHA-AZUAARDMSA-N 2 1 334.479 3.380 20 0 EGADMP CC[N@@H+](CCCNCc1cnn(CC(F)F)c1)C1CCCCC1 ZINC000651910113 462376816 /nfs/dbraw/zinc/37/68/16/462376816.db2.gz HGGRGXRIUJKTLL-UHFFFAOYSA-N 2 1 328.451 3.283 20 0 EGADMP CC[N@H+](CCC[NH2+]Cc1cnn(CC(F)F)c1)C1CCCCC1 ZINC000651910113 462376821 /nfs/dbraw/zinc/37/68/21/462376821.db2.gz HGGRGXRIUJKTLL-UHFFFAOYSA-N 2 1 328.451 3.283 20 0 EGADMP CC[N@@H+](CCC[NH2+]Cc1cnn(CC(F)F)c1)C1CCCCC1 ZINC000651910113 462376828 /nfs/dbraw/zinc/37/68/28/462376828.db2.gz HGGRGXRIUJKTLL-UHFFFAOYSA-N 2 1 328.451 3.283 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000665283832 462384413 /nfs/dbraw/zinc/38/44/13/462384413.db2.gz VVUAUFORXDCYHN-JTQLQIEISA-N 2 1 339.361 3.440 20 0 EGADMP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)c2ccccc21 ZINC000665289613 462387510 /nfs/dbraw/zinc/38/75/10/462387510.db2.gz SOIXLGDKBZCDNC-DOIPELPJSA-N 2 1 349.478 3.462 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(O)(CC)CC)[C@H](C)C1 ZINC000658106691 462388083 /nfs/dbraw/zinc/38/80/83/462388083.db2.gz AUEVSLRDAJZNHD-QZTJIDSGSA-N 2 1 342.568 3.290 20 0 EGADMP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1cc(F)ccc1F ZINC000640530238 462430609 /nfs/dbraw/zinc/43/06/09/462430609.db2.gz ASNWITPYQYXJAT-UHFFFAOYSA-N 2 1 339.430 3.101 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1cc(F)ccc1F ZINC000640530238 462430614 /nfs/dbraw/zinc/43/06/14/462430614.db2.gz ASNWITPYQYXJAT-UHFFFAOYSA-N 2 1 339.430 3.101 20 0 EGADMP Cc1c(-c2cc(C[N@@H+](C)CCCC[NH+]3CCCCC3)on2)cnn1C ZINC000640532188 462431652 /nfs/dbraw/zinc/43/16/52/462431652.db2.gz BFHWGTRFOIOKET-UHFFFAOYSA-N 2 1 345.491 3.081 20 0 EGADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000658229005 462435856 /nfs/dbraw/zinc/43/58/56/462435856.db2.gz NXCDEOYWBZPNOM-FGTMMUONSA-N 2 1 330.520 3.443 20 0 EGADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000658229005 462435862 /nfs/dbraw/zinc/43/58/62/462435862.db2.gz NXCDEOYWBZPNOM-FGTMMUONSA-N 2 1 330.520 3.443 20 0 EGADMP C[C@H]1C[C@@H](N(C)C(=O)CCC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000649330134 462479700 /nfs/dbraw/zinc/47/97/00/462479700.db2.gz ZGQLLRDRTMYHRX-WMZOPIPTSA-N 2 1 331.504 3.015 20 0 EGADMP COc1ccccc1-c1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)on1 ZINC000658355093 462488763 /nfs/dbraw/zinc/48/87/63/462488763.db2.gz APFKBYSFUJUTOS-SZVBFZGTSA-N 2 1 341.455 3.313 20 0 EGADMP COc1ccccc1-c1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)on1 ZINC000658355093 462488769 /nfs/dbraw/zinc/48/87/69/462488769.db2.gz APFKBYSFUJUTOS-SZVBFZGTSA-N 2 1 341.455 3.313 20 0 EGADMP Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000649418543 462504171 /nfs/dbraw/zinc/50/41/71/462504171.db2.gz UWFUPHHIYLHGJY-IAGOWNOFSA-N 2 1 325.456 3.472 20 0 EGADMP C[NH+](C)[C@H](CNc1cc[nH+]c(N2CCCCC2)n1)Cc1ccccc1 ZINC000544679444 468402638 /nfs/dbraw/zinc/40/26/38/468402638.db2.gz FSCSLYNMIHLBEI-SFHVURJKSA-N 2 1 339.487 3.052 20 0 EGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccn1 ZINC000158606693 533849124 /nfs/dbraw/zinc/84/91/24/533849124.db2.gz AOYLCNKVDJCYOM-GHTZIAJQSA-N 2 1 338.499 3.111 20 0 EGADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(CO)o2)C1 ZINC000174272004 534175348 /nfs/dbraw/zinc/17/53/48/534175348.db2.gz SXZPALHPOBQVAJ-INIZCTEOSA-N 2 1 328.456 3.294 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(CO)o2)C1 ZINC000174272004 534175353 /nfs/dbraw/zinc/17/53/53/534175353.db2.gz SXZPALHPOBQVAJ-INIZCTEOSA-N 2 1 328.456 3.294 20 0 EGADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000171841483 534219164 /nfs/dbraw/zinc/21/91/64/534219164.db2.gz WMMZXQWFRMGNAW-LBPRGKRZSA-N 2 1 339.386 3.227 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCC(=O)OCc1ccccc1 ZINC000182277589 534447379 /nfs/dbraw/zinc/44/73/79/534447379.db2.gz DXLFFQMSBZEIKV-ZIFCJYIRSA-N 2 1 332.488 3.218 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000178625496 534850690 /nfs/dbraw/zinc/85/06/90/534850690.db2.gz RTARORLOPYEUSV-LBPRGKRZSA-N 2 1 327.407 3.213 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000174956071 527849092 /nfs/dbraw/zinc/84/90/92/527849092.db2.gz CGCCFKKVNKUYEM-OAHLLOKOSA-N 2 1 337.895 3.332 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000174956071 527849099 /nfs/dbraw/zinc/84/90/99/527849099.db2.gz CGCCFKKVNKUYEM-OAHLLOKOSA-N 2 1 337.895 3.332 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000174956071 527849105 /nfs/dbraw/zinc/84/91/05/527849105.db2.gz CGCCFKKVNKUYEM-OAHLLOKOSA-N 2 1 337.895 3.332 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C12CCCC2 ZINC000181540848 527943184 /nfs/dbraw/zinc/94/31/84/527943184.db2.gz HDHFIXXJNJHOLD-ZWKOTPCHSA-N 2 1 340.471 3.403 20 0 EGADMP CC(C)C[NH+]1CCC(N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000131157059 527964359 /nfs/dbraw/zinc/96/43/59/527964359.db2.gz YGKZOHOEQASXFU-SFHVURJKSA-N 2 1 347.547 3.398 20 0 EGADMP CC(C)C[C@H](CCO)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000154626639 528497622 /nfs/dbraw/zinc/49/76/22/528497622.db2.gz PWMBJGJTRVEAHJ-FQEVSTJZSA-N 2 1 332.532 3.328 20 0 EGADMP CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)C1 ZINC000174119901 528772988 /nfs/dbraw/zinc/77/29/88/528772988.db2.gz MDMPXGREAXCSMT-FQEVSTJZSA-N 2 1 345.531 3.473 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1cc(C)cc(C)c1 ZINC000191510453 528863673 /nfs/dbraw/zinc/86/36/73/528863673.db2.gz OACXFXXODPZWMD-UHFFFAOYSA-N 2 1 342.487 3.413 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1cc(C)cc(C)c1 ZINC000191510453 528863680 /nfs/dbraw/zinc/86/36/80/528863680.db2.gz OACXFXXODPZWMD-UHFFFAOYSA-N 2 1 342.487 3.413 20 0 EGADMP CCC[C@@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163957604 528899501 /nfs/dbraw/zinc/89/95/01/528899501.db2.gz MHTIFVJSOGJFNQ-QGZVFWFLSA-N 2 1 334.504 3.454 20 0 EGADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc2c(c1)CCO2 ZINC000154486294 529160716 /nfs/dbraw/zinc/16/07/16/529160716.db2.gz CJNCJIAQHARLJU-HXUWFJFHSA-N 2 1 345.531 3.080 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000246893083 534957449 /nfs/dbraw/zinc/95/74/49/534957449.db2.gz FMOZIAVASWNUDI-IEBWSBKVSA-N 2 1 326.488 3.314 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000246893083 534957450 /nfs/dbraw/zinc/95/74/50/534957450.db2.gz FMOZIAVASWNUDI-IEBWSBKVSA-N 2 1 326.488 3.314 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCC[NH+](CC)C2)cc1)C(C)C ZINC000338077654 535782278 /nfs/dbraw/zinc/78/22/78/535782278.db2.gz CFYIOCQWDVVLFU-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC)C2)cc1)C(C)C ZINC000338077654 535782281 /nfs/dbraw/zinc/78/22/81/535782281.db2.gz CFYIOCQWDVVLFU-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)cc1)C(C)C ZINC000338077654 535782284 /nfs/dbraw/zinc/78/22/84/535782284.db2.gz CFYIOCQWDVVLFU-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP CCn1nccc1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000350552746 535868066 /nfs/dbraw/zinc/86/80/66/535868066.db2.gz FABVUMSYAFPERB-UYAOXDASSA-N 2 1 326.488 3.075 20 0 EGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000093589354 546684151 /nfs/dbraw/zinc/68/41/51/546684151.db2.gz JZEPQSDLFQIFNC-UHFFFAOYSA-N 2 1 344.499 3.306 20 0 EGADMP FC(F)(F)Oc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000120857052 546717741 /nfs/dbraw/zinc/71/77/41/546717741.db2.gz MPJOUTXNXLIYHA-UHFFFAOYSA-N 2 1 337.345 3.302 20 0 EGADMP CCN1CCC([N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000125288667 546750800 /nfs/dbraw/zinc/75/08/00/546750800.db2.gz KCDYIBPQCCYBOY-UHFFFAOYSA-N 2 1 345.531 3.077 20 0 EGADMP CC[NH+]1CCC(N(C)Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000125288667 546750806 /nfs/dbraw/zinc/75/08/06/546750806.db2.gz KCDYIBPQCCYBOY-UHFFFAOYSA-N 2 1 345.531 3.077 20 0 EGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000125288667 546750812 /nfs/dbraw/zinc/75/08/12/546750812.db2.gz KCDYIBPQCCYBOY-UHFFFAOYSA-N 3 1 345.531 3.077 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000125288667 546750818 /nfs/dbraw/zinc/75/08/18/546750818.db2.gz KCDYIBPQCCYBOY-UHFFFAOYSA-N 3 1 345.531 3.077 20 0 EGADMP CC(C)CO[C@@H]1CC[NH+]([C@@H](C)CC[N@@H+]2CC[C@@H](OCC(C)C)C2)C1 ZINC000245677443 547266894 /nfs/dbraw/zinc/26/68/94/547266894.db2.gz IMMFQCDSRPKDST-XUVXKRRUSA-N 2 1 340.552 3.259 20 0 EGADMP CC(C)CO[C@@H]1CC[NH+](CC[C@H](C)[N@@H+]2CC[C@@H](OCC(C)C)C2)C1 ZINC000245677443 547266897 /nfs/dbraw/zinc/26/68/97/547266897.db2.gz IMMFQCDSRPKDST-XUVXKRRUSA-N 2 1 340.552 3.259 20 0 EGADMP CC(C)CO[C@@H]1CC[NH+](CC[C@H](C)[N@H+]2CC[C@@H](OCC(C)C)C2)C1 ZINC000245677443 547266900 /nfs/dbraw/zinc/26/69/00/547266900.db2.gz IMMFQCDSRPKDST-XUVXKRRUSA-N 2 1 340.552 3.259 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310894537 547461656 /nfs/dbraw/zinc/46/16/56/547461656.db2.gz ZXHIZEQIWIZAEJ-YSIASYRMSA-N 2 1 345.531 3.024 20 0 EGADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3cnc(C4CC4)nc3)C2)c1 ZINC000459392936 547942676 /nfs/dbraw/zinc/94/26/76/547942676.db2.gz UUISCOCZZXIVLS-HNNXBMFYSA-N 2 1 342.512 3.417 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3cnc(C4CC4)nc3)C2)c1 ZINC000459392936 547942680 /nfs/dbraw/zinc/94/26/80/547942680.db2.gz UUISCOCZZXIVLS-HNNXBMFYSA-N 2 1 342.512 3.417 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000530355002 548036649 /nfs/dbraw/zinc/03/66/49/548036649.db2.gz RTOZVMKYBAUBRY-INIZCTEOSA-N 2 1 334.261 3.392 20 0 EGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000671309256 548275938 /nfs/dbraw/zinc/27/59/38/548275938.db2.gz QTHRGMNBGKYRRC-NHCUHLMSSA-N 2 1 344.499 3.305 20 0 EGADMP C[NH+](C/C=C\C[N@H+](C)Cc1cccc(O)c1)Cc1cccc(O)c1 ZINC000674005867 548670649 /nfs/dbraw/zinc/67/06/49/548670649.db2.gz QYKYLAXOKPXTMC-ARJAWSKDSA-N 2 1 326.440 3.218 20 0 EGADMP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000675882023 548996849 /nfs/dbraw/zinc/99/68/49/548996849.db2.gz PLWCDFJDYJXOHD-UZLBHIALSA-N 2 1 332.488 3.379 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCc3c2cc(F)cc3F)C[C@H](C)O1 ZINC000677129137 549214218 /nfs/dbraw/zinc/21/42/18/549214218.db2.gz GZLBUEYFACEPOG-KSMMKXTCSA-N 2 1 338.442 3.431 20 0 EGADMP CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000678340796 549472613 /nfs/dbraw/zinc/47/26/13/549472613.db2.gz QWWCLVWJKGMSAN-VQTJNVASSA-N 2 1 346.515 3.407 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)c2ccccc21 ZINC000678608508 549530606 /nfs/dbraw/zinc/53/06/06/549530606.db2.gz PRECTRHBYLISJR-FQEVSTJZSA-N 2 1 341.499 3.481 20 0 EGADMP OC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000679721605 549768412 /nfs/dbraw/zinc/76/84/12/549768412.db2.gz PJBKEALBKNDJID-HSALFYBXSA-N 2 1 328.500 3.182 20 0 EGADMP Cc1csc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000681387037 549990188 /nfs/dbraw/zinc/99/01/88/549990188.db2.gz CVFLHMQVHMKMML-AEFFLSMTSA-N 2 1 329.513 3.494 20 0 EGADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000682674777 550129793 /nfs/dbraw/zinc/12/97/93/550129793.db2.gz RZJNBJQCSJHQKY-VXKWHMMOSA-N 2 1 338.495 3.010 20 0 EGADMP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000682674777 550129794 /nfs/dbraw/zinc/12/97/94/550129794.db2.gz RZJNBJQCSJHQKY-VXKWHMMOSA-N 2 1 338.495 3.010 20 0 EGADMP CN(C)c1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000684212471 550305443 /nfs/dbraw/zinc/30/54/43/550305443.db2.gz SVMFLCYPRINNRV-OYRHEFFESA-N 2 1 335.495 3.316 20 0 EGADMP CN(C)c1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000684212471 550305444 /nfs/dbraw/zinc/30/54/44/550305444.db2.gz SVMFLCYPRINNRV-OYRHEFFESA-N 2 1 335.495 3.316 20 0 EGADMP CN(C)c1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000684212471 550305445 /nfs/dbraw/zinc/30/54/45/550305445.db2.gz SVMFLCYPRINNRV-OYRHEFFESA-N 2 1 335.495 3.316 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc2cnccc2c1 ZINC000685456076 550418376 /nfs/dbraw/zinc/41/83/76/550418376.db2.gz PFYMURMTSIZTMP-OAQYLSRUSA-N 2 1 340.515 3.083 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470423 550421155 /nfs/dbraw/zinc/42/11/55/550421155.db2.gz QDNWFEIAIFIMOU-BBRMVZONSA-N 2 1 338.879 3.273 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1 ZINC000685849567 550448268 /nfs/dbraw/zinc/44/82/68/550448268.db2.gz NBUFWQXWODNXEM-RBUKOAKNSA-N 2 1 332.488 3.016 20 0 EGADMP Brc1cccc(-c2ccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)o2)c1 ZINC000678342789 576167207 /nfs/dbraw/zinc/16/72/07/576167207.db2.gz IDDAGMRAGBEZMC-ZIAGYGMSSA-N 2 1 347.256 3.360 20 0 EGADMP COc1ccc(Cl)cc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000742709519 576793821 /nfs/dbraw/zinc/79/38/21/576793821.db2.gz SEIDBWRNHYVFFK-GASCZTMLSA-N 2 1 340.895 3.328 20 0 EGADMP C[C@H](CC[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1)[NH+](C)C ZINC000895300045 1309276522 /nfs/dbraw/zinc/27/65/22/1309276522.db2.gz RRFOODOVSCPLLX-CQSZACIVSA-N 2 1 326.444 3.263 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1OC ZINC000060816807 1291944065 /nfs/dbraw/zinc/94/40/65/1291944065.db2.gz BVXYOTQFXSEWBT-UHFFFAOYSA-N 2 1 328.884 3.425 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000067222800 1292154377 /nfs/dbraw/zinc/15/43/77/1292154377.db2.gz PYYFOIMHXOAQCJ-HXUWFJFHSA-N 2 1 340.515 3.370 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000067222800 1292154381 /nfs/dbraw/zinc/15/43/81/1292154381.db2.gz PYYFOIMHXOAQCJ-HXUWFJFHSA-N 2 1 340.515 3.370 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000067223123 1292154695 /nfs/dbraw/zinc/15/46/95/1292154695.db2.gz FSSDVYRAUQRQND-CQSZACIVSA-N 2 1 328.403 3.118 20 0 EGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)CCCn1cc[nH+]c1C ZINC000068999198 1292225110 /nfs/dbraw/zinc/22/51/10/1292225110.db2.gz ZMYHGXHNMTYXHB-UHFFFAOYSA-N 2 1 342.487 3.130 20 0 EGADMP CC(C)Oc1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000076762525 1292441154 /nfs/dbraw/zinc/44/11/54/1292441154.db2.gz LZJNTWPVPGOQOL-KRWDZBQOSA-N 2 1 332.488 3.064 20 0 EGADMP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354180 1321505154 /nfs/dbraw/zinc/50/51/54/1321505154.db2.gz WEQCFXMHTABHAV-UHFFFAOYSA-N 2 1 325.541 3.109 20 0 EGADMP CO[C@@H]1CC[N@@H+](CCCCCC[NH+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000831534023 1292879550 /nfs/dbraw/zinc/87/95/50/1292879550.db2.gz MLNYNUDUNQYYRL-JVSBHGNQSA-N 2 1 340.552 3.260 20 0 EGADMP CO[C@@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000831534023 1292879561 /nfs/dbraw/zinc/87/95/61/1292879561.db2.gz MLNYNUDUNQYYRL-JVSBHGNQSA-N 2 1 340.552 3.260 20 0 EGADMP CO[C@@H]1CC[NH+](CCCCCC[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000831534023 1292879576 /nfs/dbraw/zinc/87/95/76/1292879576.db2.gz MLNYNUDUNQYYRL-JVSBHGNQSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2cccs2)C1 ZINC000093963679 1292939274 /nfs/dbraw/zinc/93/92/74/1292939274.db2.gz DCEUKKRCMSPUBX-OAHLLOKOSA-N 2 1 332.517 3.359 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000105451556 1293036518 /nfs/dbraw/zinc/03/65/18/1293036518.db2.gz JNMUTYQJXYADFN-UHFFFAOYSA-N 2 1 344.330 3.357 20 0 EGADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(-c2cc3ccccc3o2)n1 ZINC000108428577 1293081296 /nfs/dbraw/zinc/08/12/96/1293081296.db2.gz LNDTZUBYTHSWNN-OAHLLOKOSA-N 2 1 338.455 3.265 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000110039449 1293092992 /nfs/dbraw/zinc/09/29/92/1293092992.db2.gz LGMDKXCKXIDSCO-UHFFFAOYSA-N 2 1 345.531 3.279 20 0 EGADMP CCn1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cn1 ZINC000112096442 1293117739 /nfs/dbraw/zinc/11/77/39/1293117739.db2.gz IJIQNFKLUTUCDD-KRWDZBQOSA-N 2 1 326.488 3.425 20 0 EGADMP Cc1csc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)n1 ZINC000117386069 1293220442 /nfs/dbraw/zinc/22/04/42/1293220442.db2.gz NWCFRWCSDRUHRE-UHFFFAOYSA-N 2 1 334.489 3.058 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2)cn1 ZINC000121168714 1293359025 /nfs/dbraw/zinc/35/90/25/1293359025.db2.gz YBCBAQOLGHLFBC-OAHLLOKOSA-N 2 1 349.438 3.083 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000121809543 1293391757 /nfs/dbraw/zinc/39/17/57/1293391757.db2.gz VIIKYKQXYKILDC-HOTGVXAUSA-N 2 1 344.503 3.353 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)[C@H](C)C1 ZINC000122331420 1293409100 /nfs/dbraw/zinc/40/91/00/1293409100.db2.gz CJAWPYVOGDBSJK-UTKZUKDTSA-N 3 1 344.547 3.041 20 0 EGADMP CCN1CC[C@H]([NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)[C@H](C)C1 ZINC000122331420 1293409103 /nfs/dbraw/zinc/40/91/03/1293409103.db2.gz CJAWPYVOGDBSJK-UTKZUKDTSA-N 3 1 344.547 3.041 20 0 EGADMP CC[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCCC1 ZINC000151718829 1293936037 /nfs/dbraw/zinc/93/60/37/1293936037.db2.gz NRAIHPUDDZGXKR-KRWDZBQOSA-N 2 1 346.475 3.028 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnc3cnccn23)CC1 ZINC000156854506 1294161369 /nfs/dbraw/zinc/16/13/69/1294161369.db2.gz TWHZKHOSWODTBQ-MRXNPFEDSA-N 2 1 335.455 3.045 20 0 EGADMP Cc1nn(C)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000160129899 1294259105 /nfs/dbraw/zinc/25/91/05/1294259105.db2.gz LNJOGVLOLIVTDL-MRXNPFEDSA-N 2 1 326.488 3.393 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc(F)cc(F)c3)c2)CCO1 ZINC000160925161 1294280734 /nfs/dbraw/zinc/28/07/34/1294280734.db2.gz PHHVABUJSMQMJB-OAHLLOKOSA-N 2 1 346.421 3.475 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc(F)cc(F)c3)c2)CCO1 ZINC000160925161 1294280744 /nfs/dbraw/zinc/28/07/44/1294280744.db2.gz PHHVABUJSMQMJB-OAHLLOKOSA-N 2 1 346.421 3.475 20 0 EGADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000179435697 1294793867 /nfs/dbraw/zinc/79/38/67/1294793867.db2.gz DKTMXPQIFBURLB-IBGZPJMESA-N 2 1 349.482 3.120 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccc(F)nc3)cc2)C[C@H](C)O1 ZINC000188980491 1295493473 /nfs/dbraw/zinc/49/34/73/1295493473.db2.gz PJQJDNYYEYAXGI-IYBDPMFKSA-N 2 1 343.446 3.120 20 0 EGADMP C[C@H]1C[NH+](CCCC[NH2+]Cc2c(O)ccc(Cl)c2F)C[C@H](C)O1 ZINC000190893404 1295624879 /nfs/dbraw/zinc/62/48/79/1295624879.db2.gz BGEBTIKXOAUDHB-STQMWFEESA-N 2 1 344.858 3.164 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870867415 1296121303 /nfs/dbraw/zinc/12/13/03/1296121303.db2.gz LMPVOGAPJABUPS-HLIPFELVSA-N 2 1 343.515 3.195 20 0 EGADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000871018590 1296179176 /nfs/dbraw/zinc/17/91/76/1296179176.db2.gz CDUCSADVPMECIW-HSALFYBXSA-N 2 1 343.515 3.017 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000236824349 1296205233 /nfs/dbraw/zinc/20/52/33/1296205233.db2.gz QDKGYLRJYBMREZ-SFHVURJKSA-N 2 1 325.456 3.092 20 0 EGADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc(Cl)c1OC ZINC000236857338 1296207808 /nfs/dbraw/zinc/20/78/08/1296207808.db2.gz VTNLROFYNJAYGV-CYBMUJFWSA-N 2 1 338.879 3.321 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000237508440 1296248126 /nfs/dbraw/zinc/24/81/26/1296248126.db2.gz CFDIREJCBYJDQM-DLBZAZTESA-N 2 1 339.524 3.240 20 0 EGADMP Cc1ccc([C@@H](O)C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000247501710 1296395639 /nfs/dbraw/zinc/39/56/39/1296395639.db2.gz LTSLSKRBJSYJMF-IRLDBZIGSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1ccc([C@@H](O)C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000247501710 1296395649 /nfs/dbraw/zinc/39/56/49/1296395649.db2.gz LTSLSKRBJSYJMF-IRLDBZIGSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1ccc([C@@H](O)C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000247501710 1296395661 /nfs/dbraw/zinc/39/56/61/1296395661.db2.gz LTSLSKRBJSYJMF-IRLDBZIGSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1ccc([C@@H](O)C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000247501710 1296395671 /nfs/dbraw/zinc/39/56/71/1296395671.db2.gz LTSLSKRBJSYJMF-IRLDBZIGSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262029342 1296617604 /nfs/dbraw/zinc/61/76/04/1296617604.db2.gz NVWZXSHNFZQZSN-UHFFFAOYSA-N 2 1 338.499 3.124 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCn1cc[nH+]c1C)CCCC2 ZINC000872030312 1296679617 /nfs/dbraw/zinc/67/96/17/1296679617.db2.gz CPMXZLZBFDTJMV-KRWDZBQOSA-N 2 1 329.444 3.266 20 0 EGADMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000311181315 1297106737 /nfs/dbraw/zinc/10/67/37/1297106737.db2.gz YTYWSOKWNXRMLL-UZLBHIALSA-N 2 1 346.421 3.110 20 0 EGADMP C[C@H](O)c1ncc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)s1 ZINC000873232651 1297375231 /nfs/dbraw/zinc/37/52/31/1297375231.db2.gz UTCRAKYQYFPWIL-JJRVBVJISA-N 2 1 337.533 3.316 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000873260187 1297395393 /nfs/dbraw/zinc/39/53/93/1297395393.db2.gz UTRAZIISIQOZGM-BVJIBDCISA-N 3 1 327.516 3.160 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000873260187 1297395398 /nfs/dbraw/zinc/39/53/98/1297395398.db2.gz UTRAZIISIQOZGM-BVJIBDCISA-N 3 1 327.516 3.160 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1-c1noc([C@H](C)[NH+](C)C)n1 ZINC000350592439 1297407756 /nfs/dbraw/zinc/40/77/56/1297407756.db2.gz HMWIYPMQISXHTJ-AWEZNQCLSA-N 2 1 332.448 3.080 20 0 EGADMP FC(F)[C@H](CCc1ccccc1)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291269 1297412613 /nfs/dbraw/zinc/41/26/13/1297412613.db2.gz IWKMLLQAMMRWNI-SJORKVTESA-N 2 1 338.442 3.001 20 0 EGADMP C[C@H](CC[NH2+]C[C@H](O)c1cccc(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000379635191 1297536438 /nfs/dbraw/zinc/53/64/38/1297536438.db2.gz QLMUNTVGXLWJGF-UZLBHIALSA-N 2 1 330.447 3.359 20 0 EGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000386282645 1297589561 /nfs/dbraw/zinc/58/95/61/1297589561.db2.gz BFFVJYWWGAYVQN-CVEARBPZSA-N 2 1 340.471 3.348 20 0 EGADMP CC1(C)CCC(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000702624069 1298196208 /nfs/dbraw/zinc/19/62/08/1298196208.db2.gz JLZRAMHHISHEKD-OAQYLSRUSA-N 2 1 330.516 3.429 20 0 EGADMP CC1(C)CCC(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000702624069 1298196214 /nfs/dbraw/zinc/19/62/14/1298196214.db2.gz JLZRAMHHISHEKD-OAQYLSRUSA-N 2 1 330.516 3.429 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)CC2)cc1 ZINC000711888323 1298262669 /nfs/dbraw/zinc/26/26/69/1298262669.db2.gz OHPPIGUIQJSCII-CTNGQTDRSA-N 2 1 328.500 3.446 20 0 EGADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000713058165 1298267228 /nfs/dbraw/zinc/26/72/28/1298267228.db2.gz KQDKGKTYRAWMAG-IEBWSBKVSA-N 2 1 345.531 3.119 20 0 EGADMP CC1(C)OC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)O1 ZINC000715145483 1298278853 /nfs/dbraw/zinc/27/88/53/1298278853.db2.gz AZEKBQYMFMHEEN-ROUUACIJSA-N 2 1 332.488 3.028 20 0 EGADMP CC1(C)OC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)O1 ZINC000715145483 1298278857 /nfs/dbraw/zinc/27/88/57/1298278857.db2.gz AZEKBQYMFMHEEN-ROUUACIJSA-N 2 1 332.488 3.028 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000717502645 1298302250 /nfs/dbraw/zinc/30/22/50/1298302250.db2.gz MIPLWSNDNBFEHA-LJQANCHMSA-N 2 1 345.531 3.121 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000717505568 1298303082 /nfs/dbraw/zinc/30/30/82/1298303082.db2.gz YZBYHVIQGQAEJY-UHFFFAOYSA-N 2 1 345.531 3.135 20 0 EGADMP CC1(C)[C@H]([NH2+]C[C@@H]([NH3+])CC(F)(F)F)C[C@@H]1OCc1ccccc1 ZINC000717985417 1298305577 /nfs/dbraw/zinc/30/55/77/1298305577.db2.gz CFWDWHKSQVMZHP-ZNMIVQPWSA-N 2 1 330.394 3.240 20 0 EGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724051162 1298346422 /nfs/dbraw/zinc/34/64/22/1298346422.db2.gz ZYBSSFVHSSLIKG-HOTGVXAUSA-N 2 1 327.513 3.001 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724051162 1298346437 /nfs/dbraw/zinc/34/64/37/1298346437.db2.gz ZYBSSFVHSSLIKG-HOTGVXAUSA-N 2 1 327.513 3.001 20 0 EGADMP CCOC(=O)N1CCC(C)(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)CC1 ZINC000876760049 1298966078 /nfs/dbraw/zinc/96/60/78/1298966078.db2.gz RUCVAWYFIVZARD-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP CCOC(=O)N1CCC(C)(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000876760049 1298966088 /nfs/dbraw/zinc/96/60/88/1298966088.db2.gz RUCVAWYFIVZARD-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP CCOC(=O)N1CCC(C)(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000876760049 1298966100 /nfs/dbraw/zinc/96/61/00/1298966100.db2.gz RUCVAWYFIVZARD-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000876775160 1298977297 /nfs/dbraw/zinc/97/72/97/1298977297.db2.gz PMRONLMSOTTYTF-MRXNPFEDSA-N 2 1 341.540 3.201 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000876775160 1298977312 /nfs/dbraw/zinc/97/73/12/1298977312.db2.gz PMRONLMSOTTYTF-MRXNPFEDSA-N 2 1 341.540 3.201 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000876775160 1298977330 /nfs/dbraw/zinc/97/73/30/1298977330.db2.gz PMRONLMSOTTYTF-MRXNPFEDSA-N 2 1 341.540 3.201 20 0 EGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000877523141 1299365723 /nfs/dbraw/zinc/36/57/23/1299365723.db2.gz INPVTSVEKBKBAX-ZHCJQAHYSA-N 2 1 339.524 3.093 20 0 EGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000877523141 1299365733 /nfs/dbraw/zinc/36/57/33/1299365733.db2.gz INPVTSVEKBKBAX-ZHCJQAHYSA-N 2 1 339.524 3.093 20 0 EGADMP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000878287829 1299894079 /nfs/dbraw/zinc/89/40/79/1299894079.db2.gz JIBPROOXUXIOLK-SFHVURJKSA-N 2 1 328.460 3.239 20 0 EGADMP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000878287829 1299894091 /nfs/dbraw/zinc/89/40/91/1299894091.db2.gz JIBPROOXUXIOLK-SFHVURJKSA-N 2 1 328.460 3.239 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000878445169 1300008799 /nfs/dbraw/zinc/00/87/99/1300008799.db2.gz DVIVIRWYZLIJQO-MISYRCLQSA-N 2 1 328.500 3.446 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H]1CCC[C@@H](c3ccccc3)O1)CCO2 ZINC000878769260 1300183574 /nfs/dbraw/zinc/18/35/74/1300183574.db2.gz NQJUPSMIQJNOEF-UXHICEINSA-N 2 1 344.499 3.093 20 0 EGADMP C[C@@H](C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1)C[NH+]1CCCC1 ZINC000756097917 1300438851 /nfs/dbraw/zinc/43/88/51/1300438851.db2.gz DAENVVBGJVQYAL-HNNXBMFYSA-N 2 1 348.491 3.250 20 0 EGADMP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249148 1300452901 /nfs/dbraw/zinc/45/29/01/1300452901.db2.gz GRLLQYIBZGPIIH-HNNXBMFYSA-N 2 1 340.471 3.204 20 0 EGADMP COc1cc(C[NH+]2CC[C@@H](CF)C2)cc(C[N@H+]2CC[C@H](CF)C2)c1 ZINC000880299518 1301037351 /nfs/dbraw/zinc/03/73/51/1301037351.db2.gz HYMCNVHPDOLESU-IYBDPMFKSA-N 2 1 338.442 3.278 20 0 EGADMP FC[C@H]1CC[NH+](Cc2cc(C[N@@H+]3CC[C@H](CF)C3)ccc2F)C1 ZINC000880300159 1301038645 /nfs/dbraw/zinc/03/86/45/1301038645.db2.gz OVAWPMJTIUPVLQ-HZPDHXFCSA-N 2 1 326.406 3.409 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H]3CN(CC[NH+]4CCCC4)CC[C@H]32)cc1 ZINC000760848141 1301350468 /nfs/dbraw/zinc/35/04/68/1301350468.db2.gz SNRCKPQJDSHCJM-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCC1 ZINC000763008931 1301801283 /nfs/dbraw/zinc/80/12/83/1301801283.db2.gz JORSYWQALRAUGR-KRWDZBQOSA-N 2 1 349.906 3.077 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000882893279 1302151946 /nfs/dbraw/zinc/15/19/46/1302151946.db2.gz PUBMOBRPHKMVKU-GASCZTMLSA-N 2 1 332.444 3.234 20 0 EGADMP COc1ccc2c(NC[C@@H]3C[N@@H+](CC(C)C)CCO3)cc[nH+]c2c1 ZINC000765457013 1302267112 /nfs/dbraw/zinc/26/71/12/1302267112.db2.gz WLRHGICSUFXPNK-MRXNPFEDSA-N 2 1 329.444 3.012 20 0 EGADMP CCCCC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000765745206 1302317094 /nfs/dbraw/zinc/31/70/94/1302317094.db2.gz ZOTRDHYZLXGZIV-IBGZPJMESA-N 2 1 331.504 3.062 20 0 EGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000765770443 1302321765 /nfs/dbraw/zinc/32/17/65/1302321765.db2.gz XQSKUSLABHNBQN-QGZVFWFLSA-N 2 1 332.536 3.041 20 0 EGADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000767925884 1302786539 /nfs/dbraw/zinc/78/65/39/1302786539.db2.gz GJWFLZZOSDWBNZ-SFTDATJTSA-N 2 1 339.483 3.092 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000769684572 1303157349 /nfs/dbraw/zinc/15/73/49/1303157349.db2.gz NVMDAAUPPOCOEE-NCOADZHNSA-N 2 1 341.540 3.388 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000769684572 1303157354 /nfs/dbraw/zinc/15/73/54/1303157354.db2.gz NVMDAAUPPOCOEE-NCOADZHNSA-N 2 1 341.540 3.388 20 0 EGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccccc3C)c2C)C1 ZINC000885924500 1303278925 /nfs/dbraw/zinc/27/89/25/1303278925.db2.gz RELIUPDXGFRMRP-SFHVURJKSA-N 2 1 326.488 3.229 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccccc3C)c2C)C1 ZINC000885924500 1303278926 /nfs/dbraw/zinc/27/89/26/1303278926.db2.gz RELIUPDXGFRMRP-SFHVURJKSA-N 2 1 326.488 3.229 20 0 EGADMP Clc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)nc1 ZINC000885967357 1303302861 /nfs/dbraw/zinc/30/28/61/1303302861.db2.gz MRWBZFJSDWSHAT-QGZVFWFLSA-N 2 1 329.875 3.389 20 0 EGADMP Clc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)nc1 ZINC000885967357 1303302864 /nfs/dbraw/zinc/30/28/64/1303302864.db2.gz MRWBZFJSDWSHAT-QGZVFWFLSA-N 2 1 329.875 3.389 20 0 EGADMP Cc1nocc1C[NH+](C)[C@H]1CC[C@H]([N@@H+](C)Cc2conc2C)CC1 ZINC000886387141 1303454493 /nfs/dbraw/zinc/45/44/93/1303454493.db2.gz VCYCGTNXNDSELE-IYARVYRRSA-N 2 1 332.448 3.154 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000886606956 1303521044 /nfs/dbraw/zinc/52/10/44/1303521044.db2.gz IWFKUKNCZJRGJC-QYZOEREBSA-N 2 1 344.499 3.218 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000886606956 1303521050 /nfs/dbraw/zinc/52/10/50/1303521050.db2.gz IWFKUKNCZJRGJC-QYZOEREBSA-N 2 1 344.499 3.218 20 0 EGADMP C[C@H](c1cccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1)[NH+]1CCOCC1 ZINC000774353020 1303801176 /nfs/dbraw/zinc/80/11/76/1303801176.db2.gz NAICAAVHDXNZBE-MIJOPJBOSA-N 2 1 329.488 3.117 20 0 EGADMP C[C@H](c1cccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1)[NH+]1CCOCC1 ZINC000774353020 1303801181 /nfs/dbraw/zinc/80/11/81/1303801181.db2.gz NAICAAVHDXNZBE-MIJOPJBOSA-N 2 1 329.488 3.117 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@H](C)[C@@H](O)c2c(F)cccc2Cl)CC1 ZINC000775413034 1303960722 /nfs/dbraw/zinc/96/07/22/1303960722.db2.gz UTMJTAUWTKSCSE-SJKOYZFVSA-N 2 1 328.859 3.365 20 0 EGADMP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000779056077 1304523810 /nfs/dbraw/zinc/52/38/10/1304523810.db2.gz VLIZLPYNVWFPKV-SCTDSRPQSA-N 2 1 334.529 3.256 20 0 EGADMP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000779056077 1304523811 /nfs/dbraw/zinc/52/38/11/1304523811.db2.gz VLIZLPYNVWFPKV-SCTDSRPQSA-N 2 1 334.529 3.256 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3C[C@@](C)(C4CCCC4)CC3=O)C2)CC1 ZINC000780438538 1304692174 /nfs/dbraw/zinc/69/21/74/1304692174.db2.gz PBKAOKODOKORKK-NQIIRXRSSA-N 2 1 347.547 3.036 20 0 EGADMP CCOCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000783489272 1305097724 /nfs/dbraw/zinc/09/77/24/1305097724.db2.gz ATSBPRYOIUTDLR-LJQANCHMSA-N 2 1 332.488 3.223 20 0 EGADMP CCOCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000783489272 1305097729 /nfs/dbraw/zinc/09/77/29/1305097729.db2.gz ATSBPRYOIUTDLR-LJQANCHMSA-N 2 1 332.488 3.223 20 0 EGADMP CCOCOc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000783489272 1305097733 /nfs/dbraw/zinc/09/77/33/1305097733.db2.gz ATSBPRYOIUTDLR-LJQANCHMSA-N 2 1 332.488 3.223 20 0 EGADMP CCOCOc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000783489272 1305097739 /nfs/dbraw/zinc/09/77/39/1305097739.db2.gz ATSBPRYOIUTDLR-LJQANCHMSA-N 2 1 332.488 3.223 20 0 EGADMP CCn1cc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c(C)n1 ZINC000892607534 1305467713 /nfs/dbraw/zinc/46/77/13/1305467713.db2.gz VIYWCJOHGKURTE-UHFFFAOYSA-N 2 1 326.488 3.274 20 0 EGADMP CCOC(=O)c1ncc(C[NH2+]Cc2cccc(C[N@H+](C)CC)c2)s1 ZINC000892937980 1305617048 /nfs/dbraw/zinc/61/70/48/1305617048.db2.gz KBLTYNZBWLCSRG-UHFFFAOYSA-N 2 1 347.484 3.061 20 0 EGADMP CCOC(=O)c1ncc(C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)s1 ZINC000892937980 1305617055 /nfs/dbraw/zinc/61/70/55/1305617055.db2.gz KBLTYNZBWLCSRG-UHFFFAOYSA-N 2 1 347.484 3.061 20 0 EGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C)C1CC1 ZINC000788242243 1305904966 /nfs/dbraw/zinc/90/49/66/1305904966.db2.gz BBJASKLYYOMSGM-YESZJQIVSA-N 2 1 339.524 3.142 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000893488112 1305920486 /nfs/dbraw/zinc/92/04/86/1305920486.db2.gz RKBCVJDAGITBPX-FPOVZHCZSA-N 2 1 336.479 3.073 20 0 EGADMP Cn1ncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1C1CC1 ZINC000894112303 1306225581 /nfs/dbraw/zinc/22/55/81/1306225581.db2.gz BFKHINTZCWOSLZ-UHFFFAOYSA-N 2 1 339.487 3.210 20 0 EGADMP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793553523 1309402786 /nfs/dbraw/zinc/40/27/86/1309402786.db2.gz NIBMQHJQABAOGR-JENIJYKNSA-N 2 1 326.488 3.290 20 0 EGADMP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793553523 1309402792 /nfs/dbraw/zinc/40/27/92/1309402792.db2.gz NIBMQHJQABAOGR-JENIJYKNSA-N 2 1 326.488 3.290 20 0 EGADMP CCc1nn(C)c(Cl)c1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000895685743 1309465825 /nfs/dbraw/zinc/46/58/25/1309465825.db2.gz OFHQEFLAZNODOJ-UHFFFAOYSA-N 2 1 326.916 3.334 20 0 EGADMP CCc1nn(C)c(Cl)c1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895685743 1309465829 /nfs/dbraw/zinc/46/58/29/1309465829.db2.gz OFHQEFLAZNODOJ-UHFFFAOYSA-N 2 1 326.916 3.334 20 0 EGADMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(-n3cncn3)c(C)c2)CC1 ZINC000895827291 1309541244 /nfs/dbraw/zinc/54/12/44/1309541244.db2.gz JPLDLGQHHYTFEY-UHFFFAOYSA-N 2 1 339.487 3.026 20 0 EGADMP c1[nH+]cn2c1CC[C@H](c1nc(-c3ccc(C[NH+]4CCCC4)cc3)no1)C2 ZINC000895967773 1309618460 /nfs/dbraw/zinc/61/84/60/1309618460.db2.gz VKQYWTIOIMZLAR-KRWDZBQOSA-N 2 1 349.438 3.259 20 0 EGADMP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3CC[N@H+]3C(C)(C)C)cc21 ZINC000896499649 1309886831 /nfs/dbraw/zinc/88/68/31/1309886831.db2.gz SEYMPXRCOKEFIC-QGZVFWFLSA-N 2 1 342.487 3.014 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000897537306 1310368215 /nfs/dbraw/zinc/36/82/15/1310368215.db2.gz SHUSMVYMZQSHLV-VMXMFDLUSA-N 2 1 330.516 3.428 20 0 EGADMP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179711 1310500053 /nfs/dbraw/zinc/50/00/53/1310500053.db2.gz RSRZBLOYWDCABG-QGZVFWFLSA-N 2 1 343.515 3.384 20 0 EGADMP COc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000799717567 1310605105 /nfs/dbraw/zinc/60/51/05/1310605105.db2.gz QIOUBURQDXFLDA-FXAWDEMLSA-N 2 1 344.499 3.306 20 0 EGADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)N[C@@H]3CC[NH+](C(C)(C)C)C3)c2)C1 ZINC000857303680 1328527211 /nfs/dbraw/zinc/52/72/11/1328527211.db2.gz KUYOYEHQEOSONX-RBUKOAKNSA-N 2 1 343.515 3.098 20 0 EGADMP C[NH+]1CCC[C@H](c2cccc(C(=O)N[C@@H]3CC[N@@H+](C(C)(C)C)C3)c2)C1 ZINC000857303680 1328527212 /nfs/dbraw/zinc/52/72/12/1328527212.db2.gz KUYOYEHQEOSONX-RBUKOAKNSA-N 2 1 343.515 3.098 20 0 EGADMP C[NH+]1CCC[C@H](c2cccc(C(=O)N[C@@H]3CC[N@H+](C(C)(C)C)C3)c2)C1 ZINC000857303680 1328527215 /nfs/dbraw/zinc/52/72/15/1328527215.db2.gz KUYOYEHQEOSONX-RBUKOAKNSA-N 2 1 343.515 3.098 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001018961484 1316987279 /nfs/dbraw/zinc/98/72/79/1316987279.db2.gz HDOCECLNTJVFJL-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001018971661 1316991207 /nfs/dbraw/zinc/99/12/07/1316991207.db2.gz MYMKRELIYPXXRE-MSOLQXFVSA-N 2 1 343.515 3.039 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@@H](C)CC)C1 ZINC000957113861 1317195157 /nfs/dbraw/zinc/19/51/57/1317195157.db2.gz ULCUVSAQCDJJJJ-HKUYNNGSSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)CC1 ZINC000957568275 1317465596 /nfs/dbraw/zinc/46/55/96/1317465596.db2.gz GORLODSPNLRSTR-RTBURBONSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)CC1 ZINC000957621117 1317501936 /nfs/dbraw/zinc/50/19/36/1317501936.db2.gz YZWNDCDDJPNSDO-RBUKOAKNSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000957647430 1317518527 /nfs/dbraw/zinc/51/85/27/1317518527.db2.gz HRRKCPCNLZUWTR-KDURUIRLSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CC(C)C)CC2 ZINC000957647771 1317519467 /nfs/dbraw/zinc/51/94/67/1317519467.db2.gz VPSFXOVEYHLPKW-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000902789614 1317616636 /nfs/dbraw/zinc/61/66/36/1317616636.db2.gz LJCIHLGJBLESHS-QHAWAJNXSA-N 2 1 330.516 3.488 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccccc1Cl ZINC001020297764 1317633898 /nfs/dbraw/zinc/63/38/98/1317633898.db2.gz YKHRHIYYNQAUFJ-XSWJXKHESA-N 2 1 349.906 3.122 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902968900 1317634235 /nfs/dbraw/zinc/63/42/35/1317634235.db2.gz YKXQMGOSQFGPHH-XUFNMVPLSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902968900 1317634241 /nfs/dbraw/zinc/63/42/41/1317634241.db2.gz YKXQMGOSQFGPHH-XUFNMVPLSA-N 2 1 336.479 3.145 20 0 EGADMP CC[N@@H+](CC1CCCCC1)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000957776362 1317639741 /nfs/dbraw/zinc/63/97/41/1317639741.db2.gz HTVBRXUYOPBRPR-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CC1CCCCC1)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000957776362 1317639745 /nfs/dbraw/zinc/63/97/45/1317639745.db2.gz HTVBRXUYOPBRPR-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CC1CCCCC1)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000957776362 1317639751 /nfs/dbraw/zinc/63/97/51/1317639751.db2.gz HTVBRXUYOPBRPR-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(F)cc1 ZINC000903071701 1317647437 /nfs/dbraw/zinc/64/74/37/1317647437.db2.gz AFSYPYCBOZBQTR-QZNYNHHHSA-N 2 1 331.479 3.176 20 0 EGADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(F)cc1 ZINC000903071701 1317647445 /nfs/dbraw/zinc/64/74/45/1317647445.db2.gz AFSYPYCBOZBQTR-QZNYNHHHSA-N 2 1 331.479 3.176 20 0 EGADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(F)cc1 ZINC000903071701 1317647453 /nfs/dbraw/zinc/64/74/53/1317647453.db2.gz AFSYPYCBOZBQTR-QZNYNHHHSA-N 2 1 331.479 3.176 20 0 EGADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903084296 1317649627 /nfs/dbraw/zinc/64/96/27/1317649627.db2.gz WVVSOVGYKXZWKH-NMACRGETSA-N 2 1 342.483 3.484 20 0 EGADMP COc1cccc(N2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)c1 ZINC000903089021 1317650481 /nfs/dbraw/zinc/65/04/81/1317650481.db2.gz OBWPHNZBDWDACM-SYKANANRSA-N 2 1 341.499 3.021 20 0 EGADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1c(F)cccc1F ZINC000903098876 1317651850 /nfs/dbraw/zinc/65/18/50/1317651850.db2.gz UXSSPGOURPDUFJ-QGGWKKEGSA-N 2 1 349.469 3.315 20 0 EGADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1c(F)cccc1F ZINC000903098876 1317651856 /nfs/dbraw/zinc/65/18/56/1317651856.db2.gz UXSSPGOURPDUFJ-QGGWKKEGSA-N 2 1 349.469 3.315 20 0 EGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000903115210 1317655765 /nfs/dbraw/zinc/65/57/65/1317655765.db2.gz ASUKCPBEOFNRPL-XEOJFFABSA-N 2 1 346.515 3.134 20 0 EGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000903120255 1317657046 /nfs/dbraw/zinc/65/70/46/1317657046.db2.gz VSZKOEXTAILHJX-ZPAWYTMASA-N 2 1 328.500 3.052 20 0 EGADMP CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](CC)[C@H]3C(C)C)C[C@H]2O)o1 ZINC000903119717 1317657168 /nfs/dbraw/zinc/65/71/68/1317657168.db2.gz JVIOIGSRSIABQB-CIJNOWTPSA-N 2 1 334.504 3.362 20 0 EGADMP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000903119875 1317657411 /nfs/dbraw/zinc/65/74/11/1317657411.db2.gz UKNDAXXSAXNXOR-XEOJFFABSA-N 2 1 346.515 3.216 20 0 EGADMP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c2c(c1)OCCCO2 ZINC000903124347 1317658604 /nfs/dbraw/zinc/65/86/04/1317658604.db2.gz GFARVVDHKFHTSU-ZNXRZULTSA-N 2 1 328.456 3.095 20 0 EGADMP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c2c(c1)OCCCO2 ZINC000903124347 1317658608 /nfs/dbraw/zinc/65/86/08/1317658608.db2.gz GFARVVDHKFHTSU-ZNXRZULTSA-N 2 1 328.456 3.095 20 0 EGADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000903153659 1317663938 /nfs/dbraw/zinc/66/39/38/1317663938.db2.gz UPJHWRIEOFKITG-AZQUWAFASA-N 2 1 327.516 3.425 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H](c1ccccc1)N(C)C ZINC000903153659 1317663942 /nfs/dbraw/zinc/66/39/42/1317663942.db2.gz UPJHWRIEOFKITG-AZQUWAFASA-N 2 1 327.516 3.425 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H](c1ccccc1)N(C)C ZINC000903153659 1317663949 /nfs/dbraw/zinc/66/39/49/1317663949.db2.gz UPJHWRIEOFKITG-AZQUWAFASA-N 2 1 327.516 3.425 20 0 EGADMP O=C1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCN1C1CCCCC1 ZINC000903157739 1317665059 /nfs/dbraw/zinc/66/50/59/1317665059.db2.gz NQJQRGIPUHIZMU-HAYQSNGGSA-N 2 1 345.531 3.058 20 0 EGADMP O=C1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCN1C1CCCCC1 ZINC000903157739 1317665067 /nfs/dbraw/zinc/66/50/67/1317665067.db2.gz NQJQRGIPUHIZMU-HAYQSNGGSA-N 2 1 345.531 3.058 20 0 EGADMP COCCOCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903174004 1317668329 /nfs/dbraw/zinc/66/83/29/1317668329.db2.gz BIZDJRKICPWXBX-VCSGRIEYSA-N 2 1 344.499 3.097 20 0 EGADMP CC(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(=O)OC(C)(C)C ZINC000903197436 1317671564 /nfs/dbraw/zinc/67/15/64/1317671564.db2.gz YUTXNMGCTVCMIY-NXCDMZCRSA-N 2 1 336.520 3.348 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000903258382 1317681322 /nfs/dbraw/zinc/68/13/22/1317681322.db2.gz BJUJRYSLSSLGLZ-WJMWBRGCSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000903258382 1317681328 /nfs/dbraw/zinc/68/13/28/1317681328.db2.gz BJUJRYSLSSLGLZ-WJMWBRGCSA-N 2 1 330.516 3.428 20 0 EGADMP O[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C1CC1 ZINC000903404821 1317696473 /nfs/dbraw/zinc/69/64/73/1317696473.db2.gz ADPGABBSYGSIGF-JSXRDJHFSA-N 2 1 328.500 3.180 20 0 EGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725834 1317726320 /nfs/dbraw/zinc/72/63/20/1317726320.db2.gz IBPIAFISOCHWII-WOZUAGRISA-N 2 1 328.500 3.413 20 0 EGADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733247 1317726667 /nfs/dbraw/zinc/72/66/67/1317726667.db2.gz JCRFTFCDNWNCRJ-SUMDDJOVSA-N 2 1 332.463 3.162 20 0 EGADMP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903735422 1317727993 /nfs/dbraw/zinc/72/79/93/1317727993.db2.gz ZUIKXTLTQZBGEH-MISYRCLQSA-N 2 1 328.500 3.098 20 0 EGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@@H]1CC3(CO1)CC[NH2+]CC3)CCC2 ZINC000903755407 1317729251 /nfs/dbraw/zinc/72/92/51/1317729251.db2.gz GQNQZDPABFCICX-GOEBONIOSA-N 2 1 349.544 3.173 20 0 EGADMP c1ccc(-c2n[nH]c([C@@H]3CCC[N@H+](C[C@H]4CCCC[NH2+]C4)C3)n2)cc1 ZINC000903755474 1317729709 /nfs/dbraw/zinc/72/97/09/1317729709.db2.gz HUGYZILFMCLFGN-FUHWJXTLSA-N 2 1 339.487 3.041 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c2ncccc12 ZINC000903751168 1317730098 /nfs/dbraw/zinc/73/00/98/1317730098.db2.gz CAAOQGZDJRNOMI-SFHVURJKSA-N 2 1 341.455 3.019 20 0 EGADMP [NH3+][C@H](C[NH2+]CCCOc1ccc(Cl)cc1Cl)CC(F)F ZINC000903922552 1317748516 /nfs/dbraw/zinc/74/85/16/1317748516.db2.gz ZILNKHIVXJAHLM-JTQLQIEISA-N 2 1 327.202 3.334 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@H]([NH3+])CC(F)F ZINC000903921107 1317748639 /nfs/dbraw/zinc/74/86/39/1317748639.db2.gz NAUHTVKNFGKBPK-RHSMWYFYSA-N 3 1 325.447 3.133 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)s2)cn1 ZINC000903959791 1317757613 /nfs/dbraw/zinc/75/76/13/1317757613.db2.gz OKCSENUZCKAELR-GOSISDBHSA-N 2 1 330.501 3.114 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)s2)cn1 ZINC000903959792 1317757949 /nfs/dbraw/zinc/75/79/49/1317757949.db2.gz OKCSENUZCKAELR-SFHVURJKSA-N 2 1 330.501 3.114 20 0 EGADMP CC(C)c1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)cc1 ZINC001020585998 1317790631 /nfs/dbraw/zinc/79/06/31/1317790631.db2.gz BTTJULUDPOIUDZ-NSISKUIASA-N 2 1 343.515 3.031 20 0 EGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000904326398 1317831559 /nfs/dbraw/zinc/83/15/59/1317831559.db2.gz ITGODPMGKAJRHA-LEWJYISDSA-N 2 1 329.532 3.220 20 0 EGADMP CCN(Cc1ncc(C[NH+](C)C)s1)C[C@@H](O)c1ccc(C)cc1 ZINC000809581528 1317837101 /nfs/dbraw/zinc/83/71/01/1317837101.db2.gz LYZHRGYYJPCZKK-QGZVFWFLSA-N 2 1 333.501 3.069 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)ccc1OCc1ccccc1 ZINC000904404695 1317843202 /nfs/dbraw/zinc/84/32/02/1317843202.db2.gz CWQRVHKDHZRLGL-QGZVFWFLSA-N 2 1 340.467 3.445 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904405799 1317843271 /nfs/dbraw/zinc/84/32/71/1317843271.db2.gz PTLNHSGAKVVTRH-KRWDZBQOSA-N 2 1 346.906 3.372 20 0 EGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000904404678 1317843754 /nfs/dbraw/zinc/84/37/54/1317843754.db2.gz CKNUVYRYBSEJOZ-QGZVFWFLSA-N 2 1 338.499 3.396 20 0 EGADMP Fc1cc(F)c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000904475734 1317852635 /nfs/dbraw/zinc/85/26/35/1317852635.db2.gz QLIHPZNSFIDOAO-MJGOQNOKSA-N 2 1 348.368 3.449 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001020675855 1317852756 /nfs/dbraw/zinc/85/27/56/1317852756.db2.gz HVUJCFGIVKKFKF-VAMGGRTRSA-N 2 1 347.547 3.377 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001020719592 1317885637 /nfs/dbraw/zinc/88/56/37/1317885637.db2.gz MUAOQQUTKOJGDC-UAFMIMERSA-N 2 1 347.547 3.211 20 0 EGADMP Cc1cccc([C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000905095268 1317922921 /nfs/dbraw/zinc/92/29/21/1317922921.db2.gz DCQKWNSPQGCOGA-RBBKRZOGSA-N 2 1 338.495 3.183 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCCCC2=O)cc1 ZINC000810262331 1317989378 /nfs/dbraw/zinc/98/93/78/1317989378.db2.gz PBYMVBUNLGFGHW-BQFCYCMXSA-N 2 1 329.488 3.337 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCCCC2=O)cc1 ZINC000810262331 1317989381 /nfs/dbraw/zinc/98/93/81/1317989381.db2.gz PBYMVBUNLGFGHW-BQFCYCMXSA-N 2 1 329.488 3.337 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(C(C)(C)C)CC3)C2)C1 ZINC001021044462 1318060308 /nfs/dbraw/zinc/06/03/08/1318060308.db2.gz NZIXQQXKDIJRNL-ZBABMDLNSA-N 2 1 349.563 3.027 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001021302018 1318177924 /nfs/dbraw/zinc/17/79/24/1318177924.db2.gz GEAMRKVXQKIISO-FBVQUNGASA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001021302018 1318177934 /nfs/dbraw/zinc/17/79/34/1318177934.db2.gz GEAMRKVXQKIISO-FBVQUNGASA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001021302018 1318177941 /nfs/dbraw/zinc/17/79/41/1318177941.db2.gz GEAMRKVXQKIISO-FBVQUNGASA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000811513478 1318191799 /nfs/dbraw/zinc/19/17/99/1318191799.db2.gz ZMAYTSFHQPTEQZ-YESZJQIVSA-N 2 1 341.540 3.483 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000811513478 1318191805 /nfs/dbraw/zinc/19/18/05/1318191805.db2.gz ZMAYTSFHQPTEQZ-YESZJQIVSA-N 2 1 341.540 3.483 20 0 EGADMP CN(C)Cc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)cc1Cl ZINC000907907346 1318278201 /nfs/dbraw/zinc/27/82/01/1318278201.db2.gz BKNHWWNFHZCCAD-WBVHZDCISA-N 2 1 335.879 3.357 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cc1Cl ZINC000907907346 1318278208 /nfs/dbraw/zinc/27/82/08/1318278208.db2.gz BKNHWWNFHZCCAD-WBVHZDCISA-N 2 1 335.879 3.357 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)cc1Cl ZINC000907907346 1318278217 /nfs/dbraw/zinc/27/82/17/1318278217.db2.gz BKNHWWNFHZCCAD-WBVHZDCISA-N 2 1 335.879 3.357 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)o1 ZINC000908573446 1318367057 /nfs/dbraw/zinc/36/70/57/1318367057.db2.gz KTACVWITKOROBU-UHFFFAOYSA-N 2 1 347.503 3.212 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000812719508 1318443773 /nfs/dbraw/zinc/44/37/73/1318443773.db2.gz UHQAOFCRABRJBD-YESZJQIVSA-N 2 1 341.540 3.342 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000812719508 1318443775 /nfs/dbraw/zinc/44/37/75/1318443775.db2.gz UHQAOFCRABRJBD-YESZJQIVSA-N 2 1 341.540 3.342 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000812719506 1318444059 /nfs/dbraw/zinc/44/40/59/1318444059.db2.gz UHQAOFCRABRJBD-IXDOHACOSA-N 2 1 341.540 3.342 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000812719506 1318444064 /nfs/dbraw/zinc/44/40/64/1318444064.db2.gz UHQAOFCRABRJBD-IXDOHACOSA-N 2 1 341.540 3.342 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021637264 1318493666 /nfs/dbraw/zinc/49/36/66/1318493666.db2.gz ZUNMUYMAIYMASB-QFBILLFUSA-N 2 1 340.471 3.061 20 0 EGADMP CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021690190 1318565150 /nfs/dbraw/zinc/56/51/50/1318565150.db2.gz GQIMRLSEOZXGRC-PMACEKPBSA-N 2 1 343.515 3.085 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](CC)CC[C@@H]32)o1 ZINC001021741977 1318651622 /nfs/dbraw/zinc/65/16/22/1318651622.db2.gz BDANEMDETHTRMA-WMZOPIPTSA-N 2 1 347.503 3.068 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@@H]2CCCN2C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000960644925 1318763271 /nfs/dbraw/zinc/76/32/71/1318763271.db2.gz WWVZEWJQQFHRHD-ACBHZAAOSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1=CCCCC1 ZINC000960663579 1318781185 /nfs/dbraw/zinc/78/11/85/1318781185.db2.gz IBPKVONHMGXHBP-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1=CCCCC1 ZINC000960663579 1318781192 /nfs/dbraw/zinc/78/11/92/1318781192.db2.gz IBPKVONHMGXHBP-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000960663579 1318781198 /nfs/dbraw/zinc/78/11/98/1318781198.db2.gz IBPKVONHMGXHBP-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CC1CCC(C[N@@H+](C)C[C@@H]2CCCN2C(=O)C[NH+](C)C2CCC2)CC1 ZINC000960666695 1318784445 /nfs/dbraw/zinc/78/44/45/1318784445.db2.gz DVRLKZYEBHCJCS-QLOJAFMTSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CCC(C[NH+](C)C[C@@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000960666695 1318784456 /nfs/dbraw/zinc/78/44/56/1318784456.db2.gz DVRLKZYEBHCJCS-QLOJAFMTSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CCC(C[NH+](C)C[C@@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000960666695 1318784465 /nfs/dbraw/zinc/78/44/65/1318784465.db2.gz DVRLKZYEBHCJCS-QLOJAFMTSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C)cc1C)[NH+](C)C ZINC000960706484 1318809386 /nfs/dbraw/zinc/80/93/86/1318809386.db2.gz FTXSNRWUJFDQSH-VQTJNVASSA-N 2 1 345.531 3.066 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000960754101 1318854885 /nfs/dbraw/zinc/85/48/85/1318854885.db2.gz QNSSRRJNUJOKBH-FQEVSTJZSA-N 2 1 348.450 3.071 20 0 EGADMP CCc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@H](CC)[NH+](C)C)cc1 ZINC000960868642 1319012354 /nfs/dbraw/zinc/01/23/54/1319012354.db2.gz KTAFXPDFRMAQLM-PMACEKPBSA-N 2 1 345.531 3.012 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815560559 1319016481 /nfs/dbraw/zinc/01/64/81/1319016481.db2.gz KHRQAWDTPQTHNQ-IEZWGBDMSA-N 2 1 343.471 3.311 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCC1 ZINC000960903858 1319046441 /nfs/dbraw/zinc/04/64/41/1319046441.db2.gz DPBVGOATVJJHGJ-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC000960903858 1319046450 /nfs/dbraw/zinc/04/64/50/1319046450.db2.gz DPBVGOATVJJHGJ-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC000960903858 1319046460 /nfs/dbraw/zinc/04/64/60/1319046460.db2.gz DPBVGOATVJJHGJ-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)c1nccn1CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC000960911923 1319057378 /nfs/dbraw/zinc/05/73/78/1319057378.db2.gz AKCFKQBQSOEOBP-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC000960911923 1319057383 /nfs/dbraw/zinc/05/73/83/1319057383.db2.gz AKCFKQBQSOEOBP-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC000960911923 1319057391 /nfs/dbraw/zinc/05/73/91/1319057391.db2.gz AKCFKQBQSOEOBP-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001022807676 1319118786 /nfs/dbraw/zinc/11/87/86/1319118786.db2.gz KKWUIJAMYGBVSJ-CEXWTWQISA-N 2 1 335.536 3.066 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCCC1 ZINC000961033353 1319156959 /nfs/dbraw/zinc/15/69/59/1319156959.db2.gz ZDHUEVJIXAXPHV-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224787 1319351324 /nfs/dbraw/zinc/35/13/24/1319351324.db2.gz FCFUIQHORBQAKN-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001023274260 1319407884 /nfs/dbraw/zinc/40/78/84/1319407884.db2.gz WPEUNVAZZVLTOU-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001023274260 1319407887 /nfs/dbraw/zinc/40/78/87/1319407887.db2.gz WPEUNVAZZVLTOU-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001023274260 1319407890 /nfs/dbraw/zinc/40/78/90/1319407890.db2.gz WPEUNVAZZVLTOU-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)Oc1cccc([C@H](O)C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000817893074 1319453989 /nfs/dbraw/zinc/45/39/89/1319453989.db2.gz DJDSFUYHNVJJJC-MAODMQOUSA-N 2 1 342.483 3.055 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCCc2cn(C(C)C)nc21 ZINC000817922882 1319461882 /nfs/dbraw/zinc/46/18/82/1319461882.db2.gz NPSBPASETHELJU-KSSFIOAISA-N 2 1 327.476 3.354 20 0 EGADMP [NH3+][C@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)c2ccccc21 ZINC000817929443 1319463641 /nfs/dbraw/zinc/46/36/41/1319463641.db2.gz HUYJYTZVEFBGCK-BBWFWOEESA-N 2 1 347.256 3.217 20 0 EGADMP COc1ccc([C@H](C)NC[C@H]2CCC[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000817946173 1319472032 /nfs/dbraw/zinc/47/20/32/1319472032.db2.gz SYYAFYOKUDTPAE-ROUUACIJSA-N 2 1 345.531 3.331 20 0 EGADMP COc1ccc([C@H](C)N[C@@H]2CCC[NH2+]CC2)cc1C[NH+]1CCCCC1 ZINC000817969694 1319481428 /nfs/dbraw/zinc/48/14/28/1319481428.db2.gz YBOMEWCXJHROOX-FXAWDEMLSA-N 2 1 345.531 3.474 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023402920 1319509626 /nfs/dbraw/zinc/50/96/26/1319509626.db2.gz WPVPUZKZQQPBPJ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001023402920 1319509633 /nfs/dbraw/zinc/50/96/33/1319509633.db2.gz WPVPUZKZQQPBPJ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001023402920 1319509640 /nfs/dbraw/zinc/50/96/40/1319509640.db2.gz WPVPUZKZQQPBPJ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000961368117 1319524042 /nfs/dbraw/zinc/52/40/42/1319524042.db2.gz QRTLIIIPYALFJK-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000961368117 1319524049 /nfs/dbraw/zinc/52/40/49/1319524049.db2.gz QRTLIIIPYALFJK-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000961368117 1319524058 /nfs/dbraw/zinc/52/40/58/1319524058.db2.gz QRTLIIIPYALFJK-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001023457349 1319559332 /nfs/dbraw/zinc/55/93/32/1319559332.db2.gz NMIQHLXHRLNFOE-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001023457349 1319559341 /nfs/dbraw/zinc/55/93/41/1319559341.db2.gz NMIQHLXHRLNFOE-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001023457349 1319559347 /nfs/dbraw/zinc/55/93/47/1319559347.db2.gz NMIQHLXHRLNFOE-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023469522 1319566621 /nfs/dbraw/zinc/56/66/21/1319566621.db2.gz GYCKOBXWHUTUKT-INIZCTEOSA-N 2 1 342.487 3.212 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000961415207 1319570575 /nfs/dbraw/zinc/57/05/75/1319570575.db2.gz IZKSMQOCNIWVRZ-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000818965566 1319595074 /nfs/dbraw/zinc/59/50/74/1319595074.db2.gz IZEIPWNEWJITQD-MLGOLLRUSA-N 2 1 341.377 3.170 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000818984421 1319605068 /nfs/dbraw/zinc/60/50/68/1319605068.db2.gz HBIJUPCSUNIUQI-WMLDXEAASA-N 2 1 344.421 3.449 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000819152100 1319649135 /nfs/dbraw/zinc/64/91/35/1319649135.db2.gz LLKJOXLGBJWKHK-PBHICJAKSA-N 2 1 344.421 3.306 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH+](CCC3CCCC3)C2)CC[N@H+]1C ZINC001023554863 1319666851 /nfs/dbraw/zinc/66/68/51/1319666851.db2.gz RLXDDRRYFWZTBL-SXLOBPIMSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@H+](CCC3CCCC3)C2)CC[NH+]1C ZINC001023554863 1319666857 /nfs/dbraw/zinc/66/68/57/1319666857.db2.gz RLXDDRRYFWZTBL-SXLOBPIMSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CCC3CCCC3)C2)CC[NH+]1C ZINC001023554863 1319666864 /nfs/dbraw/zinc/66/68/64/1319666864.db2.gz RLXDDRRYFWZTBL-SXLOBPIMSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000819366161 1319710632 /nfs/dbraw/zinc/71/06/32/1319710632.db2.gz KERGONGRZWMHMF-CJNGLKHVSA-N 2 1 330.394 3.060 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646640 1319766088 /nfs/dbraw/zinc/76/60/88/1319766088.db2.gz PCQWTOOMSRDBNE-LJQANCHMSA-N 2 1 343.515 3.156 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC000961907430 1319769181 /nfs/dbraw/zinc/76/91/81/1319769181.db2.gz MLZHWPOMFSWFAQ-MHJFOBGBSA-N 2 1 349.563 3.316 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001023761981 1319907530 /nfs/dbraw/zinc/90/75/30/1319907530.db2.gz OHJICSZAJLZWEQ-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001023761981 1319907536 /nfs/dbraw/zinc/90/75/36/1319907536.db2.gz OHJICSZAJLZWEQ-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001023761981 1319907549 /nfs/dbraw/zinc/90/75/49/1319907549.db2.gz OHJICSZAJLZWEQ-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc3nonc3c2)C1 ZINC000821374035 1320009778 /nfs/dbraw/zinc/00/97/78/1320009778.db2.gz LHGDCEDUCBIEPC-NVXWUHKLSA-N 2 1 328.460 3.309 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc3nonc3c2)C1 ZINC000821374035 1320009783 /nfs/dbraw/zinc/00/97/83/1320009783.db2.gz LHGDCEDUCBIEPC-NVXWUHKLSA-N 2 1 328.460 3.309 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc3nonc3c2)C1 ZINC000821374035 1320009785 /nfs/dbraw/zinc/00/97/85/1320009785.db2.gz LHGDCEDUCBIEPC-NVXWUHKLSA-N 2 1 328.460 3.309 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc3nonc3c2)C1 ZINC000821374035 1320009789 /nfs/dbraw/zinc/00/97/89/1320009789.db2.gz LHGDCEDUCBIEPC-NVXWUHKLSA-N 2 1 328.460 3.309 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC000821374035 1320009791 /nfs/dbraw/zinc/00/97/91/1320009791.db2.gz LHGDCEDUCBIEPC-NVXWUHKLSA-N 2 1 328.460 3.309 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823630695 1320193531 /nfs/dbraw/zinc/19/35/31/1320193531.db2.gz RYBQXSGADGKAGP-DLBZAZTESA-N 2 1 341.540 3.342 20 0 EGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000930545564 1328892095 /nfs/dbraw/zinc/89/20/95/1328892095.db2.gz NVKLPEAFJNRPMS-SJORKVTESA-N 2 1 347.503 3.116 20 0 EGADMP O[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1Cl ZINC000838952589 1320841028 /nfs/dbraw/zinc/84/10/28/1320841028.db2.gz JAFBMOFVQDRZST-INIZCTEOSA-N 2 1 329.271 3.243 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000840726159 1321136102 /nfs/dbraw/zinc/13/61/02/1321136102.db2.gz XDJCFYDVROVWFY-ZWKOTPCHSA-N 2 1 340.552 3.448 20 0 EGADMP CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@H](C)C[NH3+] ZINC000841048776 1321209128 /nfs/dbraw/zinc/20/91/28/1321209128.db2.gz LQAPZQFAFFUWLZ-CQSZACIVSA-N 2 1 334.895 3.393 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cn1 ZINC000841383193 1321267093 /nfs/dbraw/zinc/26/70/93/1321267093.db2.gz ZQCRGVLIMURAKY-SFHVURJKSA-N 2 1 349.438 3.207 20 0 EGADMP CN(C)C(=O)c1cccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859214214 1328947811 /nfs/dbraw/zinc/94/78/11/1328947811.db2.gz OAAPOXMTBFWRSG-UHFFFAOYSA-N 2 1 339.483 3.082 20 0 EGADMP C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211786 1328946847 /nfs/dbraw/zinc/94/68/47/1328946847.db2.gz AGQFKSAEVPGVKU-DYESRHJHSA-N 2 1 326.484 3.345 20 0 EGADMP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215001 1328948357 /nfs/dbraw/zinc/94/83/57/1328948357.db2.gz WTOSURCVKMTUKI-KSZLIROESA-N 2 1 345.531 3.073 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000859215243 1328948504 /nfs/dbraw/zinc/94/85/04/1328948504.db2.gz ZTJCLOYNNPVQKZ-UHFFFAOYSA-N 2 1 343.515 3.114 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000859215243 1328948510 /nfs/dbraw/zinc/94/85/10/1328948510.db2.gz ZTJCLOYNNPVQKZ-UHFFFAOYSA-N 2 1 343.515 3.114 20 0 EGADMP C[NH2+]C[C@@H](C)c1noc([C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000842581269 1321403843 /nfs/dbraw/zinc/40/38/43/1321403843.db2.gz CJZQHKQVQSZVRL-CVEARBPZSA-N 2 1 342.487 3.408 20 0 EGADMP CC[N@@H+](Cc1ccc(-c2nc([C@H]3CCC[NH2+]C3)no2)cc1)C(C)C ZINC000842665748 1321414759 /nfs/dbraw/zinc/41/47/59/1321414759.db2.gz AFXNZLKUUHMMEH-KRWDZBQOSA-N 2 1 328.460 3.434 20 0 EGADMP C[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C1CCC([NH3+])CC1 ZINC000843054867 1321463191 /nfs/dbraw/zinc/46/31/91/1321463191.db2.gz LOLSMARTTQBQDJ-UHFFFAOYSA-N 2 1 334.357 3.469 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C(=O)CC23CCCC3)CC1 ZINC000844699586 1321637966 /nfs/dbraw/zinc/63/79/66/1321637966.db2.gz VOULSIYCRHGIEG-GOSISDBHSA-N 2 1 347.547 3.466 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)nc(Cl)c2)C1 ZINC000846226875 1321778076 /nfs/dbraw/zinc/77/80/76/1321778076.db2.gz DDNAFAYCHNUCDH-MGPQQGTHSA-N 2 1 344.286 3.249 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)nc(Cl)c2)C1 ZINC000846226875 1321778080 /nfs/dbraw/zinc/77/80/80/1321778080.db2.gz DDNAFAYCHNUCDH-MGPQQGTHSA-N 2 1 344.286 3.249 20 0 EGADMP BrC1(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)CC1 ZINC000846900261 1321821760 /nfs/dbraw/zinc/82/17/60/1321821760.db2.gz LALYARXMPLZPNS-UHFFFAOYSA-N 2 1 346.272 3.284 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CCCC2)C1 ZINC000962517772 1321982851 /nfs/dbraw/zinc/98/28/51/1321982851.db2.gz GKTCHDMHPSDXQV-SOAGJPPSSA-N 2 1 349.563 3.316 20 0 EGADMP COC(=O)/C=C\c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000848901724 1322038620 /nfs/dbraw/zinc/03/86/20/1322038620.db2.gz ATRNKZIRWQJIRP-GAIILCQZSA-N 2 1 346.471 3.208 20 0 EGADMP COC(=O)/C=C\c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000848901724 1322038625 /nfs/dbraw/zinc/03/86/25/1322038625.db2.gz ATRNKZIRWQJIRP-GAIILCQZSA-N 2 1 346.471 3.208 20 0 EGADMP C[C@H]1C[C@H](CCNC(=[NH2+])Nc2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000848989833 1322056679 /nfs/dbraw/zinc/05/66/79/1322056679.db2.gz DVCVZSGGGWNKDH-WMZOPIPTSA-N 2 1 337.471 3.319 20 0 EGADMP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CCc2ccccc2C1 ZINC000849060938 1322063357 /nfs/dbraw/zinc/06/33/57/1322063357.db2.gz VWOBCNPRUALGCW-QGZVFWFLSA-N 2 1 330.520 3.373 20 0 EGADMP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CCc2ccccc2C1 ZINC000849060938 1322063361 /nfs/dbraw/zinc/06/33/61/1322063361.db2.gz VWOBCNPRUALGCW-QGZVFWFLSA-N 2 1 330.520 3.373 20 0 EGADMP C[C@H](NC(=[NH2+])NCC[N@H+](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000849066891 1322065238 /nfs/dbraw/zinc/06/52/38/1322065238.db2.gz GGRKHRUNOUQHIS-JTQLQIEISA-N 2 1 329.275 3.263 20 0 EGADMP C[C@H](NC(=[NH2+])NCC[N@@H+](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000849066891 1322065245 /nfs/dbraw/zinc/06/52/45/1322065245.db2.gz GGRKHRUNOUQHIS-JTQLQIEISA-N 2 1 329.275 3.263 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849083139 1322070783 /nfs/dbraw/zinc/07/07/83/1322070783.db2.gz JQBHHIXDIWBTQF-GFCCVEGCSA-N 2 1 330.354 3.006 20 0 EGADMP CC(C)CCNC(=[NH2+])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000849085677 1322073329 /nfs/dbraw/zinc/07/33/29/1322073329.db2.gz VKKVGGVLEAJQEW-LJQANCHMSA-N 2 1 330.520 3.449 20 0 EGADMP C[C@H](NC(=[NH2+])NCC[N@H+]1CC=CCC1)c1ccc(Cl)cc1Cl ZINC000849095776 1322076214 /nfs/dbraw/zinc/07/62/14/1322076214.db2.gz MYRHQAFZUYFMBR-LBPRGKRZSA-N 2 1 341.286 3.430 20 0 EGADMP C[C@H](NC(=[NH2+])NCC[N@@H+]1CC=CCC1)c1ccc(Cl)cc1Cl ZINC000849095776 1322076221 /nfs/dbraw/zinc/07/62/21/1322076221.db2.gz MYRHQAFZUYFMBR-LBPRGKRZSA-N 2 1 341.286 3.430 20 0 EGADMP Cc1ccc(NC(=[NH2+])NCC2([NH+](C)C)Cc3ccccc3C2)cc1C ZINC000849098492 1322077714 /nfs/dbraw/zinc/07/77/14/1322077714.db2.gz QPZPFNGINNJAAI-UHFFFAOYSA-N 2 1 336.483 3.339 20 0 EGADMP COc1cncc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000850227092 1322210304 /nfs/dbraw/zinc/21/03/04/1322210304.db2.gz WRZJBMXKPZKWFU-IEBWSBKVSA-N 2 1 339.483 3.481 20 0 EGADMP CCOC(=O)NC1CCC([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000850423561 1322245101 /nfs/dbraw/zinc/24/51/01/1322245101.db2.gz BTNZEUIAWWUGSK-WWDZGPRUSA-N 2 1 339.524 3.288 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc2c(c1)CCCO2 ZINC000850432939 1322248270 /nfs/dbraw/zinc/24/82/70/1322248270.db2.gz DNGSRVZYLWCWGU-JXFKEZNVSA-N 2 1 344.499 3.306 20 0 EGADMP CC[C@H](C[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000921525164 1322339863 /nfs/dbraw/zinc/33/98/63/1322339863.db2.gz OKEYLJPJPZPWKX-IXDOHACOSA-N 2 1 339.524 3.144 20 0 EGADMP C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921980599 1322434103 /nfs/dbraw/zinc/43/41/03/1322434103.db2.gz NOLAXSNPUOIFNU-VQIMIIECSA-N 2 1 330.520 3.426 20 0 EGADMP C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000921980599 1322434105 /nfs/dbraw/zinc/43/41/05/1322434105.db2.gz NOLAXSNPUOIFNU-VQIMIIECSA-N 2 1 330.520 3.426 20 0 EGADMP CC(C)c1cccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000922388875 1322516295 /nfs/dbraw/zinc/51/62/95/1322516295.db2.gz GRYMFFDEEMUCSN-CGXNFDGLSA-N 2 1 330.516 3.379 20 0 EGADMP O[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccc(F)cc1Cl ZINC000923361258 1322740473 /nfs/dbraw/zinc/74/04/73/1322740473.db2.gz HOIVIPBARUCXCX-HBUWYVDXSA-N 2 1 340.870 3.224 20 0 EGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923368566 1322741494 /nfs/dbraw/zinc/74/14/94/1322741494.db2.gz RMTIDDOPCIZNET-FOIQADDNSA-N 2 1 339.483 3.118 20 0 EGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923490009 1322760791 /nfs/dbraw/zinc/76/07/91/1322760791.db2.gz GTMNHEFITOWQHO-MRXNPFEDSA-N 2 1 332.879 3.064 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000923887167 1322837117 /nfs/dbraw/zinc/83/71/17/1322837117.db2.gz ZKRZKMZLNRMFAS-QGZVFWFLSA-N 2 1 344.459 3.222 20 0 EGADMP CCN(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccccc1 ZINC000924582675 1323062408 /nfs/dbraw/zinc/06/24/08/1323062408.db2.gz MYOWBVOXCGCRRT-VCSGRIEYSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001023985488 1323065720 /nfs/dbraw/zinc/06/57/20/1323065720.db2.gz XALXEPATSOWFQC-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001024023701 1323081976 /nfs/dbraw/zinc/08/19/76/1323081976.db2.gz OEOPKHLOSHTGCK-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)c2ccccn2)CC1 ZINC000851813387 1323096838 /nfs/dbraw/zinc/09/68/38/1323096838.db2.gz UXOXRZVUYXKBBF-XLIONFOSSA-N 2 1 331.504 3.092 20 0 EGADMP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000924678527 1323108323 /nfs/dbraw/zinc/10/83/23/1323108323.db2.gz BRODCOSKEZQBOD-FUHIMQAGSA-N 2 1 343.515 3.208 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)c1 ZINC000924962169 1323228784 /nfs/dbraw/zinc/22/87/84/1323228784.db2.gz ZSVVSXYSEUDWKZ-SFTDATJTSA-N 2 1 340.515 3.373 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1csc2ccccc21 ZINC000924966348 1323232392 /nfs/dbraw/zinc/23/23/92/1323232392.db2.gz SMALOBFXDJSKDV-LSDHHAIUSA-N 2 1 345.512 3.139 20 0 EGADMP FC(F)(F)c1cccc([C@@H]2CC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)c1 ZINC000852750019 1323236827 /nfs/dbraw/zinc/23/68/27/1323236827.db2.gz LLRPERUKVGLJLT-GDBMZVCRSA-N 2 1 340.389 3.016 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024469227 1323424355 /nfs/dbraw/zinc/42/43/55/1323424355.db2.gz QHJQIMAVDSJXAT-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC001024469227 1323424361 /nfs/dbraw/zinc/42/43/61/1323424361.db2.gz QHJQIMAVDSJXAT-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccsc1 ZINC001024469227 1323424366 /nfs/dbraw/zinc/42/43/66/1323424366.db2.gz QHJQIMAVDSJXAT-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024469257 1323424434 /nfs/dbraw/zinc/42/44/34/1323424434.db2.gz QVIHLPFXJWOCJZ-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1=CCCCC1 ZINC001024469257 1323424437 /nfs/dbraw/zinc/42/44/37/1323424437.db2.gz QVIHLPFXJWOCJZ-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1=CCCCC1 ZINC001024469257 1323424441 /nfs/dbraw/zinc/42/44/41/1323424441.db2.gz QVIHLPFXJWOCJZ-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024513160 1323463196 /nfs/dbraw/zinc/46/31/96/1323463196.db2.gz NOQYAAKWQMKQTP-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024513160 1323463199 /nfs/dbraw/zinc/46/31/99/1323463199.db2.gz NOQYAAKWQMKQTP-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001024513160 1323463210 /nfs/dbraw/zinc/46/32/10/1323463210.db2.gz NOQYAAKWQMKQTP-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001024513160 1323463228 /nfs/dbraw/zinc/46/32/28/1323463228.db2.gz NOQYAAKWQMKQTP-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1 ZINC001024522563 1323470950 /nfs/dbraw/zinc/47/09/50/1323470950.db2.gz GUYUNSNIAIFWBO-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024522563 1323470957 /nfs/dbraw/zinc/47/09/57/1323470957.db2.gz GUYUNSNIAIFWBO-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024522563 1323470976 /nfs/dbraw/zinc/47/09/76/1323470976.db2.gz GUYUNSNIAIFWBO-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CC2CCCCCC2)CC1 ZINC001024634926 1323560064 /nfs/dbraw/zinc/56/00/64/1323560064.db2.gz YUVHLMFRQIRIDV-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024761471 1323662046 /nfs/dbraw/zinc/66/20/46/1323662046.db2.gz HDQBLWRDSMVCAC-QGZVFWFLSA-N 2 1 346.519 3.168 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024761471 1323662051 /nfs/dbraw/zinc/66/20/51/1323662051.db2.gz HDQBLWRDSMVCAC-QGZVFWFLSA-N 2 1 346.519 3.168 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811311 1323713966 /nfs/dbraw/zinc/71/39/66/1323713966.db2.gz PPXLEWJAPPWCKP-RTBURBONSA-N 2 1 349.494 3.081 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814063 1323715665 /nfs/dbraw/zinc/71/56/65/1323715665.db2.gz NWJKMLCBWNBLTC-SJLPKXTDSA-N 2 1 349.494 3.081 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCCC2)CC[N@H+]1C ZINC001024967625 1323803854 /nfs/dbraw/zinc/80/38/54/1323803854.db2.gz ZKKGZZGXVKSRIU-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001024979209 1323810774 /nfs/dbraw/zinc/81/07/74/1323810774.db2.gz OHTFGSLUSMFLDC-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(Cc3nc4cc(C(F)(F)F)ccc4o3)C[C@@H]2C1 ZINC000931436970 1329117631 /nfs/dbraw/zinc/11/76/31/1329117631.db2.gz VWRBNHSUTUZZAN-NEPJUHHUSA-N 2 1 339.361 3.230 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3nc4cc(C(F)(F)F)ccc4o3)C[C@@H]2C1 ZINC000931436970 1329117633 /nfs/dbraw/zinc/11/76/33/1329117633.db2.gz VWRBNHSUTUZZAN-NEPJUHHUSA-N 2 1 339.361 3.230 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3nc4cc(C(F)(F)F)ccc4o3)C[C@@H]2C1 ZINC000931436970 1329117637 /nfs/dbraw/zinc/11/76/37/1329117637.db2.gz VWRBNHSUTUZZAN-NEPJUHHUSA-N 2 1 339.361 3.230 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3nc4cc(C(F)(F)F)ccc4o3)C[C@@H]2C1 ZINC000931436970 1329117640 /nfs/dbraw/zinc/11/76/40/1329117640.db2.gz VWRBNHSUTUZZAN-NEPJUHHUSA-N 2 1 339.361 3.230 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3nc4cc(C(F)(F)F)ccc4o3)C[C@@H]2C1 ZINC000931436970 1329117643 /nfs/dbraw/zinc/11/76/43/1329117643.db2.gz VWRBNHSUTUZZAN-NEPJUHHUSA-N 2 1 339.361 3.230 20 0 EGADMP Cc1cc(-c2noc([C@@H](C)N3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)n2)ccc1F ZINC000931432724 1329115963 /nfs/dbraw/zinc/11/59/63/1329115963.db2.gz BLPIHTLUIGZXQS-VNQPRFMTSA-N 2 1 344.434 3.129 20 0 EGADMP Cc1cc(-c2noc([C@@H](C)[N@@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)n2)ccc1F ZINC000931432724 1329115965 /nfs/dbraw/zinc/11/59/65/1329115965.db2.gz BLPIHTLUIGZXQS-VNQPRFMTSA-N 2 1 344.434 3.129 20 0 EGADMP Cc1cc(-c2noc([C@@H](C)[N@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)n2)ccc1F ZINC000931432724 1329115968 /nfs/dbraw/zinc/11/59/68/1329115968.db2.gz BLPIHTLUIGZXQS-VNQPRFMTSA-N 2 1 344.434 3.129 20 0 EGADMP Cc1cc(-c2noc([C@@H](C)[NH+]3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)n2)ccc1F ZINC000931432724 1329115971 /nfs/dbraw/zinc/11/59/71/1329115971.db2.gz BLPIHTLUIGZXQS-VNQPRFMTSA-N 2 1 344.434 3.129 20 0 EGADMP Cc1cc(-c2noc([C@@H](C)[NH+]3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)n2)ccc1F ZINC000931432724 1329115975 /nfs/dbraw/zinc/11/59/75/1329115975.db2.gz BLPIHTLUIGZXQS-VNQPRFMTSA-N 2 1 344.434 3.129 20 0 EGADMP Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@H]2C)cs1 ZINC001025085062 1323886349 /nfs/dbraw/zinc/88/63/49/1323886349.db2.gz KURMXEFCUJRBGW-CRAIPNDOSA-N 2 1 349.544 3.012 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001025135678 1323912716 /nfs/dbraw/zinc/91/27/16/1323912716.db2.gz HUXZKFWRVXBBHJ-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240669 1324034409 /nfs/dbraw/zinc/03/44/09/1324034409.db2.gz PZWUUIJXABAYDN-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025240669 1324034415 /nfs/dbraw/zinc/03/44/15/1324034415.db2.gz PZWUUIJXABAYDN-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025240669 1324034421 /nfs/dbraw/zinc/03/44/21/1324034421.db2.gz PZWUUIJXABAYDN-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931483837 1329128753 /nfs/dbraw/zinc/12/87/53/1329128753.db2.gz HYWWIYUMOLGAKJ-GFCCVEGCSA-N 2 1 331.287 3.443 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025245918 1324044854 /nfs/dbraw/zinc/04/48/54/1324044854.db2.gz AEFCZBHUEKXAMU-RTBURBONSA-N 2 1 340.471 3.203 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025250725 1324052791 /nfs/dbraw/zinc/05/27/91/1324052791.db2.gz DOCKTEXFQHQMIE-MOPGFXCFSA-N 2 1 340.471 3.203 20 0 EGADMP CC(C)(C(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+]1CC1CC1)[NH+]1CCCC1 ZINC001025257514 1324063874 /nfs/dbraw/zinc/06/38/74/1324063874.db2.gz DXUHQNFMFQOTPN-OALUTQOASA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025258659 1324066773 /nfs/dbraw/zinc/06/67/73/1324066773.db2.gz LGBYJXOBQUYIGC-RBUKOAKNSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025261579 1324072587 /nfs/dbraw/zinc/07/25/87/1324072587.db2.gz XAHVXDABASQJSI-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025261571 1324072678 /nfs/dbraw/zinc/07/26/78/1324072678.db2.gz XAHVXDABASQJSI-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC001025274885 1324094182 /nfs/dbraw/zinc/09/41/82/1324094182.db2.gz PLRMMBBAATWWCP-ZWKOTPCHSA-N 2 1 346.519 3.262 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC001025274885 1324094183 /nfs/dbraw/zinc/09/41/83/1324094183.db2.gz PLRMMBBAATWWCP-ZWKOTPCHSA-N 2 1 346.519 3.262 20 0 EGADMP C[C@H](NC(=O)c1sccc1C[NH+](C)C)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001025431949 1324269020 /nfs/dbraw/zinc/26/90/20/1324269020.db2.gz DYAPUTUEUKRFME-GOEBONIOSA-N 2 1 349.544 3.050 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025517481 1324361655 /nfs/dbraw/zinc/36/16/55/1324361655.db2.gz ZXHYKTINFQAOIV-IRXDYDNUSA-N 2 1 347.503 3.138 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586081 1324426979 /nfs/dbraw/zinc/42/69/79/1324426979.db2.gz VUGRMILCSFXKNZ-UYAOXDASSA-N 2 1 349.563 3.290 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]CC3=CCCCC3)CC2)CC[N@H+]1C ZINC001026497334 1324848580 /nfs/dbraw/zinc/84/85/80/1324848580.db2.gz UQPMFIXPYMMYSO-GHBBCFCZSA-N 2 1 347.547 3.234 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccsc2)CC1 ZINC001026503832 1324853194 /nfs/dbraw/zinc/85/31/94/1324853194.db2.gz OLAJMAZXDAHJAD-ABHNRTSZSA-N 2 1 349.544 3.140 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001026515597 1324861404 /nfs/dbraw/zinc/86/14/04/1324861404.db2.gz BPBMTEAGMWGBOT-SOAGJPPSSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC2CCC([NH2+]CC3CCCCC3)CC2)CC[N@H+]1C ZINC001026549264 1324886123 /nfs/dbraw/zinc/88/61/23/1324886123.db2.gz GJMUMSYGPXJKLD-YUKKFIBKSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026839691 1325041836 /nfs/dbraw/zinc/04/18/36/1325041836.db2.gz DXQMRYPQZXRFSM-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1COC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000925131843 1325057878 /nfs/dbraw/zinc/05/78/78/1325057878.db2.gz DPXPBNZJANVNCS-OXQOHEQNSA-N 2 1 328.456 3.426 20 0 EGADMP C([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853242014 1325069794 /nfs/dbraw/zinc/06/97/94/1325069794.db2.gz ZADQMXDKOZPNMT-QBPKDAKJSA-N 2 1 326.575 3.078 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963359015 1325154293 /nfs/dbraw/zinc/15/42/93/1325154293.db2.gz ZWKCCMJOWWPADW-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CCC2)CC1 ZINC000963386340 1325186209 /nfs/dbraw/zinc/18/62/09/1325186209.db2.gz VGUJMNPESNWORJ-ACBHZAAOSA-N 2 1 335.536 3.020 20 0 EGADMP CCON1CCC([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000925613169 1325231502 /nfs/dbraw/zinc/23/15/02/1325231502.db2.gz AQPHQGZAHLUGHI-UYAOXDASSA-N 2 1 345.531 3.293 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C12CCC2 ZINC000925657950 1325251817 /nfs/dbraw/zinc/25/18/17/1325251817.db2.gz VPNOMEADAZGPHC-MJBXVCDLSA-N 2 1 348.796 3.252 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C12CCC2 ZINC000925657944 1325251930 /nfs/dbraw/zinc/25/19/30/1325251930.db2.gz VPNOMEADAZGPHC-BFHYXJOUSA-N 2 1 348.796 3.252 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1(Br)CC1 ZINC000926325048 1325517113 /nfs/dbraw/zinc/51/71/13/1325517113.db2.gz JBLGGAVPCWAVMB-GOEBONIOSA-N 2 1 337.305 3.414 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCCC1 ZINC000856885307 1325539072 /nfs/dbraw/zinc/53/90/72/1325539072.db2.gz VPVPHWDIHCKRHC-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CCC2CCCC2)C1 ZINC001027410505 1327637477 /nfs/dbraw/zinc/63/74/77/1327637477.db2.gz XWBQPACMUIADKP-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027410505 1327637485 /nfs/dbraw/zinc/63/74/85/1327637485.db2.gz XWBQPACMUIADKP-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027410505 1327637493 /nfs/dbraw/zinc/63/74/93/1327637493.db2.gz XWBQPACMUIADKP-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2ccsc2)C1 ZINC001027432779 1327672525 /nfs/dbraw/zinc/67/25/25/1327672525.db2.gz KLCFFHRRJMPSPF-QZTJIDSGSA-N 2 1 349.544 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccsc2)C1 ZINC001027432779 1327672532 /nfs/dbraw/zinc/67/25/32/1327672532.db2.gz KLCFFHRRJMPSPF-QZTJIDSGSA-N 2 1 349.544 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccsc2)C1 ZINC001027432779 1327672539 /nfs/dbraw/zinc/67/25/39/1327672539.db2.gz KLCFFHRRJMPSPF-QZTJIDSGSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(-n2cnnc2)c1 ZINC000926739511 1327692860 /nfs/dbraw/zinc/69/28/60/1327692860.db2.gz UECFETPGMLMTKA-SJLPKXTDSA-N 2 1 339.487 3.040 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3CC4(C3)OCCO4)CC[N@@H+]2C2CC2)cc1 ZINC000926998432 1327812161 /nfs/dbraw/zinc/81/21/61/1327812161.db2.gz CCLCYOPWDSPTHA-QUCCMNQESA-N 2 1 342.483 3.097 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3CC4(C3)OCCO4)CC[N@H+]2C2CC2)cc1 ZINC000926998432 1327812166 /nfs/dbraw/zinc/81/21/66/1327812166.db2.gz CCLCYOPWDSPTHA-QUCCMNQESA-N 2 1 342.483 3.097 20 0 EGADMP CCCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966492623 1328322389 /nfs/dbraw/zinc/32/23/89/1328322389.db2.gz RWQNABOADOPRHD-GDBMZVCRSA-N 2 1 337.533 3.050 20 0 EGADMP CCCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966492623 1328322399 /nfs/dbraw/zinc/32/23/99/1328322399.db2.gz RWQNABOADOPRHD-GDBMZVCRSA-N 2 1 337.533 3.050 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001027878855 1328345795 /nfs/dbraw/zinc/34/57/95/1328345795.db2.gz JGTAMKWMWJXHLG-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC001027878855 1328345805 /nfs/dbraw/zinc/34/58/05/1328345805.db2.gz JGTAMKWMWJXHLG-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1=CCCCC1 ZINC001027878855 1328345809 /nfs/dbraw/zinc/34/58/09/1328345809.db2.gz JGTAMKWMWJXHLG-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885715 1328353513 /nfs/dbraw/zinc/35/35/13/1328353513.db2.gz IQILISKMKJVGIY-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885715 1328353514 /nfs/dbraw/zinc/35/35/14/1328353514.db2.gz IQILISKMKJVGIY-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885715 1328353522 /nfs/dbraw/zinc/35/35/22/1328353522.db2.gz IQILISKMKJVGIY-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCC2CCCCCC2)CC[N@H+]1C ZINC001027895359 1328360371 /nfs/dbraw/zinc/36/03/71/1328360371.db2.gz WAUAIVCPWMMFOD-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCC2CCCCCC2)CC[NH+]1C ZINC001027895359 1328360377 /nfs/dbraw/zinc/36/03/77/1328360377.db2.gz WAUAIVCPWMMFOD-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCC2CCCCCC2)CC[NH+]1C ZINC001027895359 1328360386 /nfs/dbraw/zinc/36/03/86/1328360386.db2.gz WAUAIVCPWMMFOD-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCC2(CC2)CC1 ZINC001027972366 1328445401 /nfs/dbraw/zinc/44/54/01/1328445401.db2.gz UEEWOIGIJGOSIK-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001027972366 1328445409 /nfs/dbraw/zinc/44/54/09/1328445409.db2.gz UEEWOIGIJGOSIK-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCC2(CC2)CC1 ZINC001027972366 1328445412 /nfs/dbraw/zinc/44/54/12/1328445412.db2.gz UEEWOIGIJGOSIK-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CCCC1CCCC1)C12CCC[NH+]1CCC2 ZINC001027998070 1328462530 /nfs/dbraw/zinc/46/25/30/1328462530.db2.gz VHXOPXFDHCFPKS-LJQANCHMSA-N 2 1 347.547 3.166 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CCCC1CCCC1)C12CCC[NH+]1CCC2 ZINC001027998066 1328463541 /nfs/dbraw/zinc/46/35/41/1328463541.db2.gz VHXOPXFDHCFPKS-IBGZPJMESA-N 2 1 347.547 3.166 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccn2c[nH+]cc2c1 ZINC001028002704 1328464446 /nfs/dbraw/zinc/46/44/46/1328464446.db2.gz GKDBSXKUEHGYPC-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP Cc1cccc(C[N@H+]2CCC[C@H]2CNC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC001028029255 1328492355 /nfs/dbraw/zinc/49/23/55/1328492355.db2.gz TZJGSABATTZHDI-IBGZPJMESA-N 2 1 348.450 3.037 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028048220 1328512512 /nfs/dbraw/zinc/51/25/12/1328512512.db2.gz AOIPYQLVAZSMGR-LJQANCHMSA-N 2 1 345.531 3.031 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC000865437208 1329697229 /nfs/dbraw/zinc/69/72/29/1329697229.db2.gz CUCVLIQKGJPHPP-CQSZACIVSA-N 2 1 348.441 3.187 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[NH2+]C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000933258944 1329875514 /nfs/dbraw/zinc/87/55/14/1329875514.db2.gz UTJSQCFHTPFLMB-MJGOQNOKSA-N 2 1 345.531 3.276 20 0 EGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(OCc4ccccn4)c3)C[C@]2(C)C1 ZINC000933734449 1329918203 /nfs/dbraw/zinc/91/82/03/1329918203.db2.gz SSBWGUDNANOKJV-NQIIRXRSSA-N 2 1 337.467 3.044 20 0 EGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(OCc4ccccn4)c3)C[C@]2(C)C1 ZINC000933734449 1329918204 /nfs/dbraw/zinc/91/82/04/1329918204.db2.gz SSBWGUDNANOKJV-NQIIRXRSSA-N 2 1 337.467 3.044 20 0 EGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(OCc4ccccn4)c3)C[C@]2(C)C1 ZINC000933734449 1329918206 /nfs/dbraw/zinc/91/82/06/1329918206.db2.gz SSBWGUDNANOKJV-NQIIRXRSSA-N 2 1 337.467 3.044 20 0 EGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(OCc4ccccn4)c3)C[C@]2(C)C1 ZINC000933734449 1329918207 /nfs/dbraw/zinc/91/82/07/1329918207.db2.gz SSBWGUDNANOKJV-NQIIRXRSSA-N 2 1 337.467 3.044 20 0 EGADMP CN1CC[NH+](C2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)CC1 ZINC000866215231 1330079837 /nfs/dbraw/zinc/07/98/37/1330079837.db2.gz WVDGYOWNBKKHAG-UHFFFAOYSA-N 2 1 344.890 3.104 20 0 EGADMP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])co1 ZINC000866667128 1330139612 /nfs/dbraw/zinc/13/96/12/1330139612.db2.gz BHXBUPCMBANFLS-WMLDXEAASA-N 2 1 329.444 3.300 20 0 EGADMP COc1ccccc1-c1nc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])co1 ZINC000866667128 1330139613 /nfs/dbraw/zinc/13/96/13/1330139613.db2.gz BHXBUPCMBANFLS-WMLDXEAASA-N 2 1 329.444 3.300 20 0 EGADMP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866666817 1330139783 /nfs/dbraw/zinc/13/97/83/1330139783.db2.gz XOKNRERZWZHRSD-XHSDSOJGSA-N 2 1 349.906 3.297 20 0 EGADMP CC1(C)CC[NH2+]CC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000866700230 1330141981 /nfs/dbraw/zinc/14/19/81/1330141981.db2.gz UOIASEKPQFPMAM-UHFFFAOYSA-N 2 1 344.286 3.396 20 0 EGADMP CC1(C)CC[NH2+]CC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000866700230 1330141984 /nfs/dbraw/zinc/14/19/84/1330141984.db2.gz UOIASEKPQFPMAM-UHFFFAOYSA-N 2 1 344.286 3.396 20 0 EGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000866706026 1330143597 /nfs/dbraw/zinc/14/35/97/1330143597.db2.gz FGASUHMGRUBWOO-GOSISDBHSA-N 2 1 347.894 3.118 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC3CCCC3)CC2(C)C)CC1 ZINC000940993776 1331287965 /nfs/dbraw/zinc/28/79/65/1331287965.db2.gz NMPGYKMGFKROPE-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942173953 1331861447 /nfs/dbraw/zinc/86/14/47/1331861447.db2.gz SPHZCOJYHBDTCY-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942518507 1331950598 /nfs/dbraw/zinc/95/05/98/1331950598.db2.gz SMEVPVLDIOFPIK-KXBFYZLASA-N 2 1 342.487 3.211 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCC2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942558553 1331972900 /nfs/dbraw/zinc/97/29/00/1331972900.db2.gz YFYTXWIEQZADGF-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944943306 1332458875 /nfs/dbraw/zinc/45/88/75/1332458875.db2.gz GPYATVKYUIGXPK-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](CCC(C)(C)C)C[C@H]2CC1 ZINC000946779092 1332897933 /nfs/dbraw/zinc/89/79/33/1332897933.db2.gz FZPXXQQDCNDRQG-GBESFXJTSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2CC1 ZINC000946779092 1332897936 /nfs/dbraw/zinc/89/79/36/1332897936.db2.gz FZPXXQQDCNDRQG-GBESFXJTSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]2CC1 ZINC000946779092 1332897940 /nfs/dbraw/zinc/89/79/40/1332897940.db2.gz FZPXXQQDCNDRQG-GBESFXJTSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CC1CCC1 ZINC000947310311 1333084406 /nfs/dbraw/zinc/08/44/06/1333084406.db2.gz PDLDBWKZQLGHLH-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CC[N@@H+](CCC3CC3)[C@H](C)C2)ccc2c[nH+]cn21 ZINC000947471709 1333141590 /nfs/dbraw/zinc/14/15/90/1333141590.db2.gz DZFKQYBUQVPWKK-RHSMWYFYSA-N 2 1 340.471 3.026 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1CC1CCCC1 ZINC000947506046 1333149388 /nfs/dbraw/zinc/14/93/88/1333149388.db2.gz JEMCWYLQCXCCFQ-YJBOKZPZSA-N 2 1 340.471 3.107 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC1CCC2(CC2)CC1 ZINC000948040861 1333350020 /nfs/dbraw/zinc/35/00/20/1333350020.db2.gz UXQRCRUJDNTIHK-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)[C@H](C)C1 ZINC000948044798 1333352194 /nfs/dbraw/zinc/35/21/94/1333352194.db2.gz SYQUWCBTCYORTD-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)[C@H](C)C1 ZINC000948044798 1333352196 /nfs/dbraw/zinc/35/21/96/1333352196.db2.gz SYQUWCBTCYORTD-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1CC1CCC1 ZINC000948064409 1333361084 /nfs/dbraw/zinc/36/10/84/1333361084.db2.gz CAVUZHUNHNLNNJ-VQIMIIECSA-N 2 1 343.515 3.131 20 0 EGADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000948374779 1333501132 /nfs/dbraw/zinc/50/11/32/1333501132.db2.gz YNUCBUUUDPDSJZ-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948434624 1333522978 /nfs/dbraw/zinc/52/29/78/1333522978.db2.gz DFEJMHVCKDKPLQ-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948434624 1333522979 /nfs/dbraw/zinc/52/29/79/1333522979.db2.gz DFEJMHVCKDKPLQ-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2ccsc2)CC1 ZINC000948553908 1333572558 /nfs/dbraw/zinc/57/25/58/1333572558.db2.gz OGDNUUCSIBAONY-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC000948553908 1333572562 /nfs/dbraw/zinc/57/25/62/1333572562.db2.gz OGDNUUCSIBAONY-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC000948553908 1333572563 /nfs/dbraw/zinc/57/25/63/1333572563.db2.gz OGDNUUCSIBAONY-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948593431 1333588325 /nfs/dbraw/zinc/58/83/25/1333588325.db2.gz DUMNXSJKBSGHOI-WBVHZDCISA-N 2 1 346.450 3.009 20 0 EGADMP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000948620040 1333599522 /nfs/dbraw/zinc/59/95/22/1333599522.db2.gz BDCXSXHKQMHYOQ-ILNGBFOMSA-N 2 1 346.862 3.013 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC000948621159 1333600452 /nfs/dbraw/zinc/60/04/52/1333600452.db2.gz LUILZUQSFLJWQA-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000948621159 1333600454 /nfs/dbraw/zinc/60/04/54/1333600454.db2.gz LUILZUQSFLJWQA-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC000948741454 1333654975 /nfs/dbraw/zinc/65/49/75/1333654975.db2.gz BVIQNDSHBXIDRP-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000948854208 1333710002 /nfs/dbraw/zinc/71/00/02/1333710002.db2.gz JTOXDAJMURGFIP-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000949012035 1333765248 /nfs/dbraw/zinc/76/52/48/1333765248.db2.gz LSAOIZYGIJSUJJ-UHFFFAOYSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC000949801638 1333926583 /nfs/dbraw/zinc/92/65/83/1333926583.db2.gz VZUWSYVRFKXAEU-FQEVSTJZSA-N 2 1 347.547 3.143 20 0 EGADMP CC[C@@H](C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000950331515 1334043369 /nfs/dbraw/zinc/04/33/69/1334043369.db2.gz PYMDMNLFDGDKFZ-QZTJIDSGSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+]([C@H](C)c2ccccc2C)C1 ZINC000950631667 1334099019 /nfs/dbraw/zinc/09/90/19/1334099019.db2.gz WSZLITXTDGDKIQ-XLIONFOSSA-N 2 1 343.515 3.073 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+]([C@H](C)c2ccccc2C)C1 ZINC000950631667 1334099022 /nfs/dbraw/zinc/09/90/22/1334099022.db2.gz WSZLITXTDGDKIQ-XLIONFOSSA-N 2 1 343.515 3.073 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+]([C@@H](C)c2ccccc2C)C1 ZINC000950631666 1334099099 /nfs/dbraw/zinc/09/90/99/1334099099.db2.gz WSZLITXTDGDKIQ-PXNSSMCTSA-N 2 1 343.515 3.073 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+]([C@@H](C)c2ccccc2C)C1 ZINC000950631666 1334099101 /nfs/dbraw/zinc/09/91/01/1334099101.db2.gz WSZLITXTDGDKIQ-PXNSSMCTSA-N 2 1 343.515 3.073 20 0 EGADMP O=C([C@H]1CCC[C@@H]2CCC[N@H+]21)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000951628493 1334281366 /nfs/dbraw/zinc/28/13/66/1334281366.db2.gz SNOPHTPFOQNZNG-WOJBJXKFSA-N 2 1 347.547 3.118 20 0 EGADMP CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000951749676 1334311260 /nfs/dbraw/zinc/31/12/60/1334311260.db2.gz CMXCRTOLUAIGEB-YLJYHZDGSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000952393739 1334445371 /nfs/dbraw/zinc/44/53/71/1334445371.db2.gz LCUBQLHEPPSWSJ-HXUWFJFHSA-N 2 1 343.515 3.014 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000967708523 1335805782 /nfs/dbraw/zinc/80/57/82/1335805782.db2.gz SRDIHFRHICXRPS-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000968858380 1336070889 /nfs/dbraw/zinc/07/08/89/1336070889.db2.gz CSWBLFIYFHLUQO-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000968858380 1336070893 /nfs/dbraw/zinc/07/08/93/1336070893.db2.gz CSWBLFIYFHLUQO-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000968858380 1336070896 /nfs/dbraw/zinc/07/08/96/1336070896.db2.gz CSWBLFIYFHLUQO-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1c(C(=O)NC[C@@H]2CCCCC[N@H+]2CC2CC2)ccc2c[nH+]cn21 ZINC000968925483 1336091113 /nfs/dbraw/zinc/09/11/13/1336091113.db2.gz FFFIOYRTMQBUKL-KRWDZBQOSA-N 2 1 340.471 3.027 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968933949 1336095174 /nfs/dbraw/zinc/09/51/74/1336095174.db2.gz IJUUWROOWYQBLO-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000968967018 1336104665 /nfs/dbraw/zinc/10/46/65/1336104665.db2.gz HVYGEQQDBUSBFD-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969004849 1336115388 /nfs/dbraw/zinc/11/53/88/1336115388.db2.gz FJXNLVZGDIJBQO-SFHVURJKSA-N 2 1 347.503 3.282 20 0 EGADMP CC(C)=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969004849 1336115389 /nfs/dbraw/zinc/11/53/89/1336115389.db2.gz FJXNLVZGDIJBQO-SFHVURJKSA-N 2 1 347.503 3.282 20 0 EGADMP CCC(CC)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969013657 1336118434 /nfs/dbraw/zinc/11/84/34/1336118434.db2.gz CKFCTLALSHBINO-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CC2=CCCCC2)CC1 ZINC000969013675 1336118669 /nfs/dbraw/zinc/11/86/69/1336118669.db2.gz CUETYEANWUSJRX-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2ncc(Br)cc2c1 ZINC001205332491 1370723210 /nfs/dbraw/zinc/72/32/10/1370723210.db2.gz QGKOQJLJOOTAKP-GFCCVEGCSA-N 2 1 334.261 3.181 20 0 EGADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc2ncc(Br)cc2c1 ZINC001205332491 1370723214 /nfs/dbraw/zinc/72/32/14/1370723214.db2.gz QGKOQJLJOOTAKP-GFCCVEGCSA-N 2 1 334.261 3.181 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccccc1Cl ZINC000969635955 1336231658 /nfs/dbraw/zinc/23/16/58/1336231658.db2.gz DTCSMWHKDSWEPV-DAYGRLMNSA-N 2 1 349.906 3.076 20 0 EGADMP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001005645142 1336386892 /nfs/dbraw/zinc/38/68/92/1336386892.db2.gz UBKHLEFGVVXLIJ-IBGZPJMESA-N 2 1 337.552 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CCC3CCCC3)CC2)CC[N@H+]1C ZINC001005883041 1336415561 /nfs/dbraw/zinc/41/55/61/1336415561.db2.gz AZIRKMOGDMEXLS-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CCC3CCCC3)C2)C1 ZINC001007498042 1336657715 /nfs/dbraw/zinc/65/77/15/1336657715.db2.gz YSEKXXBBWGLRQK-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](CCC3CCCC3)C2)C1 ZINC001007498042 1336657716 /nfs/dbraw/zinc/65/77/16/1336657716.db2.gz YSEKXXBBWGLRQK-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CCC3CCCC3)C2)C1 ZINC001007498042 1336657717 /nfs/dbraw/zinc/65/77/17/1336657717.db2.gz YSEKXXBBWGLRQK-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007500200 1336658302 /nfs/dbraw/zinc/65/83/02/1336658302.db2.gz RGEJJSDUOINJKJ-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007500200 1336658304 /nfs/dbraw/zinc/65/83/04/1336658304.db2.gz RGEJJSDUOINJKJ-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007500200 1336658306 /nfs/dbraw/zinc/65/83/06/1336658306.db2.gz RGEJJSDUOINJKJ-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001007749089 1336694463 /nfs/dbraw/zinc/69/44/63/1336694463.db2.gz UPAOFTMOXIVVLT-RTBURBONSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001007749089 1336694465 /nfs/dbraw/zinc/69/44/65/1336694465.db2.gz UPAOFTMOXIVVLT-RTBURBONSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001007749089 1336694468 /nfs/dbraw/zinc/69/44/68/1336694468.db2.gz UPAOFTMOXIVVLT-RTBURBONSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001007751445 1336694969 /nfs/dbraw/zinc/69/49/69/1336694969.db2.gz ZMPCUMUFVWAHLZ-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007751445 1336694972 /nfs/dbraw/zinc/69/49/72/1336694972.db2.gz ZMPCUMUFVWAHLZ-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007751445 1336694984 /nfs/dbraw/zinc/69/49/84/1336694984.db2.gz ZMPCUMUFVWAHLZ-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007801906 1336703398 /nfs/dbraw/zinc/70/33/98/1336703398.db2.gz UNURABASDLSOEK-QFBILLFUSA-N 2 1 348.450 3.290 20 0 EGADMP COc1c(Br)cccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206005229 1370935471 /nfs/dbraw/zinc/93/54/71/1370935471.db2.gz XDPOBRAQYMITPB-STQMWFEESA-N 2 1 341.293 3.265 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCC[N@@H+](CCC2CCCCC2)C1)[NH+]1CCCC1 ZINC001008165579 1336782930 /nfs/dbraw/zinc/78/29/30/1336782930.db2.gz XGIJQNYQPDVJJZ-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008278785 1336813362 /nfs/dbraw/zinc/81/33/62/1336813362.db2.gz YPYCITWDUBAVTD-AZUAARDMSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008278785 1336813363 /nfs/dbraw/zinc/81/33/63/1336813363.db2.gz YPYCITWDUBAVTD-AZUAARDMSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008278785 1336813364 /nfs/dbraw/zinc/81/33/64/1336813364.db2.gz YPYCITWDUBAVTD-AZUAARDMSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@H]1C[N@H+](Cc2cc(Br)ncc2Cl)CCC[C@@H]1C[NH3+] ZINC001206026299 1370941800 /nfs/dbraw/zinc/94/18/00/1370941800.db2.gz RJWFMOIXKJLUGY-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc(Br)ncc2Cl)CCC[C@@H]1C[NH3+] ZINC001206026299 1370941804 /nfs/dbraw/zinc/94/18/04/1370941804.db2.gz RJWFMOIXKJLUGY-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001008757689 1336921287 /nfs/dbraw/zinc/92/12/87/1336921287.db2.gz YVYFVLZTCLKINO-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001008757689 1336921289 /nfs/dbraw/zinc/92/12/89/1336921289.db2.gz YVYFVLZTCLKINO-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001008757689 1336921290 /nfs/dbraw/zinc/92/12/90/1336921290.db2.gz YVYFVLZTCLKINO-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001008767980 1336923411 /nfs/dbraw/zinc/92/34/11/1336923411.db2.gz MHJOOQGVBOXCTE-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001008767980 1336923413 /nfs/dbraw/zinc/92/34/13/1336923413.db2.gz MHJOOQGVBOXCTE-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001008767980 1336923414 /nfs/dbraw/zinc/92/34/14/1336923414.db2.gz MHJOOQGVBOXCTE-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001009052874 1336960979 /nfs/dbraw/zinc/96/09/79/1336960979.db2.gz VGEKQYRCQHKXHL-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(Br)ccc1N(C)C ZINC001206809615 1371176287 /nfs/dbraw/zinc/17/62/87/1371176287.db2.gz LZIQDWNENFSDMG-STQMWFEESA-N 2 1 340.309 3.074 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001014633887 1337854533 /nfs/dbraw/zinc/85/45/33/1337854533.db2.gz UMEIGDSLTYZTOJ-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001014633887 1337854537 /nfs/dbraw/zinc/85/45/37/1337854537.db2.gz UMEIGDSLTYZTOJ-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001014633887 1337854539 /nfs/dbraw/zinc/85/45/39/1337854539.db2.gz UMEIGDSLTYZTOJ-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001014720234 1337882772 /nfs/dbraw/zinc/88/27/72/1337882772.db2.gz CMSZLPQTDJFMTM-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001014720234 1337882775 /nfs/dbraw/zinc/88/27/75/1337882775.db2.gz CMSZLPQTDJFMTM-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001014720234 1337882778 /nfs/dbraw/zinc/88/27/78/1337882778.db2.gz CMSZLPQTDJFMTM-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1)[NH+]1CCCC1 ZINC001015506877 1338161919 /nfs/dbraw/zinc/16/19/19/1338161919.db2.gz ZSHDRUUDCQQMCL-SFHVURJKSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603790 1338205487 /nfs/dbraw/zinc/20/54/87/1338205487.db2.gz YIXYAIQHIAFTFJ-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603790 1338205492 /nfs/dbraw/zinc/20/54/92/1338205492.db2.gz YIXYAIQHIAFTFJ-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603790 1338205499 /nfs/dbraw/zinc/20/54/99/1338205499.db2.gz YIXYAIQHIAFTFJ-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001015791334 1338312104 /nfs/dbraw/zinc/31/21/04/1338312104.db2.gz CSICSTINUJFRRR-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001015791334 1338312108 /nfs/dbraw/zinc/31/21/08/1338312108.db2.gz CSICSTINUJFRRR-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001015791334 1338312110 /nfs/dbraw/zinc/31/21/10/1338312110.db2.gz CSICSTINUJFRRR-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795761 1338315590 /nfs/dbraw/zinc/31/55/90/1338315590.db2.gz RVSJHCIOHVHRRZ-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001016340473 1338555447 /nfs/dbraw/zinc/55/54/47/1338555447.db2.gz WTCCQOOHYRJXIV-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001016340473 1338555448 /nfs/dbraw/zinc/55/54/48/1338555448.db2.gz WTCCQOOHYRJXIV-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001016340473 1338555450 /nfs/dbraw/zinc/55/54/50/1338555450.db2.gz WTCCQOOHYRJXIV-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCCCCC1)CC2 ZINC001016544408 1338640182 /nfs/dbraw/zinc/64/01/82/1338640182.db2.gz WMBGCHMSWJDRPF-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016653001 1338679686 /nfs/dbraw/zinc/67/96/86/1338679686.db2.gz YEKDJRCZZHBTHV-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC)CC2 ZINC001016924418 1338771365 /nfs/dbraw/zinc/77/13/65/1338771365.db2.gz WVQFBEUWEZIZSD-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001017139193 1338892601 /nfs/dbraw/zinc/89/26/01/1338892601.db2.gz SVAVRGGYUJTXIH-MRXNPFEDSA-N 2 1 349.544 3.004 20 0 EGADMP C[N@@H+](C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1)CC1CCCCCC1 ZINC001017266264 1338992314 /nfs/dbraw/zinc/99/23/14/1338992314.db2.gz LWIKSYLULBOHKP-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)CC1CCCCCC1 ZINC001017266264 1338992315 /nfs/dbraw/zinc/99/23/15/1338992315.db2.gz LWIKSYLULBOHKP-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)CC1CCCCCC1 ZINC001017266264 1338992316 /nfs/dbraw/zinc/99/23/16/1338992316.db2.gz LWIKSYLULBOHKP-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001017689984 1339391570 /nfs/dbraw/zinc/39/15/70/1339391570.db2.gz WFBMTFXDZLCKAQ-QRQLOZEOSA-N 2 1 349.563 3.361 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001017689984 1339391571 /nfs/dbraw/zinc/39/15/71/1339391571.db2.gz WFBMTFXDZLCKAQ-QRQLOZEOSA-N 2 1 349.563 3.361 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001017689984 1339391576 /nfs/dbraw/zinc/39/15/76/1339391576.db2.gz WFBMTFXDZLCKAQ-QRQLOZEOSA-N 2 1 349.563 3.361 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001018304623 1339569853 /nfs/dbraw/zinc/56/98/53/1339569853.db2.gz ISVAEKVZBRDTAT-QRQLOZEOSA-N 2 1 343.515 3.083 20 0 EGADMP CC(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001018307407 1339570707 /nfs/dbraw/zinc/57/07/07/1339570707.db2.gz VZESBNFNMOABNJ-BGYRXZFFSA-N 2 1 343.515 3.083 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001018310445 1339571498 /nfs/dbraw/zinc/57/14/98/1339571498.db2.gz LVFKECYJURDQRL-FFGOWVMKSA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001018310445 1339571499 /nfs/dbraw/zinc/57/14/99/1339571499.db2.gz LVFKECYJURDQRL-FFGOWVMKSA-N 2 1 343.515 3.011 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028094392 1340422778 /nfs/dbraw/zinc/42/27/78/1340422778.db2.gz YPMLBNAOJFARBU-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CC1CCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028094392 1340422779 /nfs/dbraw/zinc/42/27/79/1340422779.db2.gz YPMLBNAOJFARBU-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CC1CCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028094392 1340422784 /nfs/dbraw/zinc/42/27/84/1340422784.db2.gz YPMLBNAOJFARBU-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCCC1 ZINC001028335204 1340572534 /nfs/dbraw/zinc/57/25/34/1340572534.db2.gz PPPKFWNFZOKHTH-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC001028335204 1340572537 /nfs/dbraw/zinc/57/25/37/1340572537.db2.gz PPPKFWNFZOKHTH-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCCC1 ZINC001028335204 1340572541 /nfs/dbraw/zinc/57/25/41/1340572541.db2.gz PPPKFWNFZOKHTH-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCC2)o1 ZINC001028344167 1340583466 /nfs/dbraw/zinc/58/34/66/1340583466.db2.gz XBJXTNIBVYOMLZ-KRWDZBQOSA-N 2 1 347.503 3.116 20 0 EGADMP O=C(NC[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001028594643 1340719957 /nfs/dbraw/zinc/71/99/57/1340719957.db2.gz JKPWZLBHLQQMDU-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001028594643 1340719961 /nfs/dbraw/zinc/71/99/61/1340719961.db2.gz JKPWZLBHLQQMDU-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001028594643 1340719963 /nfs/dbraw/zinc/71/99/63/1340719963.db2.gz JKPWZLBHLQQMDU-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028661135 1340745969 /nfs/dbraw/zinc/74/59/69/1340745969.db2.gz GDGYNZAWSSGXSX-DLBZAZTESA-N 2 1 348.450 3.147 20 0 EGADMP CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755059 1340791978 /nfs/dbraw/zinc/79/19/78/1340791978.db2.gz FPVAZMBMOWBLOG-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755059 1340791980 /nfs/dbraw/zinc/79/19/80/1340791980.db2.gz FPVAZMBMOWBLOG-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755059 1340791982 /nfs/dbraw/zinc/79/19/82/1340791982.db2.gz FPVAZMBMOWBLOG-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CC=C(C)C)C2)o1 ZINC001029011598 1340908465 /nfs/dbraw/zinc/90/84/65/1340908465.db2.gz APRRWJQLKREPQQ-KRWDZBQOSA-N 2 1 347.503 3.139 20 0 EGADMP CC(C)[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001029100616 1340930033 /nfs/dbraw/zinc/93/00/33/1340930033.db2.gz KPQWLAWLBZIVMM-MJGOQNOKSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001029101653 1340930244 /nfs/dbraw/zinc/93/02/44/1340930244.db2.gz LUXMKZXIUIOKLM-MBOZVWFJSA-N 2 1 347.547 3.044 20 0 EGADMP C[C@@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001029108869 1340931970 /nfs/dbraw/zinc/93/19/70/1340931970.db2.gz UEGSELAGRRRIGI-MRXNPFEDSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001029473933 1340998178 /nfs/dbraw/zinc/99/81/78/1340998178.db2.gz XYOKRZRDTFPUNR-YSIASYRMSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1=CCCCC1 ZINC001029473933 1340998180 /nfs/dbraw/zinc/99/81/80/1340998180.db2.gz XYOKRZRDTFPUNR-YSIASYRMSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1=CCCCC1 ZINC001029473933 1340998182 /nfs/dbraw/zinc/99/81/82/1340998182.db2.gz XYOKRZRDTFPUNR-YSIASYRMSA-N 2 1 345.531 3.036 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCC2)C1 ZINC001029886679 1341104945 /nfs/dbraw/zinc/10/49/45/1341104945.db2.gz IBUGORARYCENMQ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001029886679 1341104946 /nfs/dbraw/zinc/10/49/46/1341104946.db2.gz IBUGORARYCENMQ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029886679 1341104947 /nfs/dbraw/zinc/10/49/47/1341104947.db2.gz IBUGORARYCENMQ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1)CC1CCCCCC1 ZINC001029887520 1341105339 /nfs/dbraw/zinc/10/53/39/1341105339.db2.gz MZZUCGOJPSMBLN-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)CC1CCCCCC1 ZINC001029887520 1341105340 /nfs/dbraw/zinc/10/53/40/1341105340.db2.gz MZZUCGOJPSMBLN-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)CC1CCCCCC1 ZINC001029887520 1341105341 /nfs/dbraw/zinc/10/53/41/1341105341.db2.gz MZZUCGOJPSMBLN-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC(C[N@@H+](C)CC2=CCCCC2)CC1)[NH+](C)C ZINC001029971944 1341139507 /nfs/dbraw/zinc/13/95/07/1341139507.db2.gz FOKKTPKJVCZKEQ-FQEVSTJZSA-N 2 1 349.563 3.243 20 0 EGADMP C[N@H+](CC1=CCCCC1)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001029973400 1341140121 /nfs/dbraw/zinc/14/01/21/1341140121.db2.gz AHRNASHDUCBBHN-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001029973400 1341140123 /nfs/dbraw/zinc/14/01/23/1341140123.db2.gz AHRNASHDUCBBHN-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001029973400 1341140125 /nfs/dbraw/zinc/14/01/25/1341140125.db2.gz AHRNASHDUCBBHN-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP C[N@@H+](CC1CCCC1)CC1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001029995701 1341151346 /nfs/dbraw/zinc/15/13/46/1341151346.db2.gz VJSXGRNDORYBBB-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC1CCCC1)CC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001029995701 1341151347 /nfs/dbraw/zinc/15/13/47/1341151347.db2.gz VJSXGRNDORYBBB-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC1CCCC1)CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001029995701 1341151348 /nfs/dbraw/zinc/15/13/48/1341151348.db2.gz VJSXGRNDORYBBB-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1)[NH+]1CCCC1 ZINC001030014557 1341158379 /nfs/dbraw/zinc/15/83/79/1341158379.db2.gz AECQMHKPFNFRFQ-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030033313 1341162438 /nfs/dbraw/zinc/16/24/38/1341162438.db2.gz SSHYJLHFDSZSFI-BJLQDIEVSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030033313 1341162439 /nfs/dbraw/zinc/16/24/39/1341162439.db2.gz SSHYJLHFDSZSFI-BJLQDIEVSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030033313 1341162440 /nfs/dbraw/zinc/16/24/40/1341162440.db2.gz SSHYJLHFDSZSFI-BJLQDIEVSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030033313 1341162441 /nfs/dbraw/zinc/16/24/41/1341162441.db2.gz SSHYJLHFDSZSFI-BJLQDIEVSA-N 2 1 343.515 3.121 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001030301083 1341176854 /nfs/dbraw/zinc/17/68/54/1341176854.db2.gz CKXYBCGWVRAQJI-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001030301083 1341176855 /nfs/dbraw/zinc/17/68/55/1341176855.db2.gz CKXYBCGWVRAQJI-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CC1(C)CCC(C[NH+]2CC(NC(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)CC1 ZINC001031082588 1341275674 /nfs/dbraw/zinc/27/56/74/1341275674.db2.gz QMYJRMZZRYYYGE-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CCC(C[NH+]2CC(NC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)CC1 ZINC001031082588 1341275675 /nfs/dbraw/zinc/27/56/75/1341275675.db2.gz QMYJRMZZRYYYGE-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCC2CCCC2)C1 ZINC001031237056 1341301776 /nfs/dbraw/zinc/30/17/76/1341301776.db2.gz QVGFWAOEIQLJHY-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCC2CCCC2)C1 ZINC001031237056 1341301777 /nfs/dbraw/zinc/30/17/77/1341301777.db2.gz QVGFWAOEIQLJHY-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001031258957 1341306066 /nfs/dbraw/zinc/30/60/66/1341306066.db2.gz VTCNLGQYUVOGSE-IRXDYDNUSA-N 2 1 343.515 3.013 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001031258957 1341306071 /nfs/dbraw/zinc/30/60/71/1341306071.db2.gz VTCNLGQYUVOGSE-IRXDYDNUSA-N 2 1 343.515 3.013 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC2C[NH+](CCC3CCCC3)C2)o1 ZINC001031467913 1341351312 /nfs/dbraw/zinc/35/13/12/1341351312.db2.gz KOWGXVRSEVJJMW-UHFFFAOYSA-N 2 1 347.503 3.116 20 0 EGADMP CCC(CC)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031673235 1341386856 /nfs/dbraw/zinc/38/68/56/1341386856.db2.gz BBRGNOXTEIQLOL-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(NCC1C[NH+](CC2CCCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001032042550 1341444546 /nfs/dbraw/zinc/44/45/46/1341444546.db2.gz DJZJVVRGDSFYIJ-VQTJNVASSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001032445234 1341512032 /nfs/dbraw/zinc/51/20/32/1341512032.db2.gz ANIZCYZQXPBVKU-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001032445234 1341512034 /nfs/dbraw/zinc/51/20/34/1341512034.db2.gz ANIZCYZQXPBVKU-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001032445234 1341512038 /nfs/dbraw/zinc/51/20/38/1341512038.db2.gz ANIZCYZQXPBVKU-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033318089 1341779272 /nfs/dbraw/zinc/77/92/72/1341779272.db2.gz GJTCDZWZTQMAND-LJQANCHMSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033319301 1341779986 /nfs/dbraw/zinc/77/99/86/1341779986.db2.gz PFIFWZUHAUZAAR-HKUYNNGSSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001033354082 1341794007 /nfs/dbraw/zinc/79/40/07/1341794007.db2.gz NCRDNYQWSROBCJ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001033354082 1341794008 /nfs/dbraw/zinc/79/40/08/1341794008.db2.gz NCRDNYQWSROBCJ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001033354082 1341794009 /nfs/dbraw/zinc/79/40/09/1341794009.db2.gz NCRDNYQWSROBCJ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001033420289 1341821446 /nfs/dbraw/zinc/82/14/46/1341821446.db2.gz NTKNUNKTSYXGJM-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001033420289 1341821450 /nfs/dbraw/zinc/82/14/50/1341821450.db2.gz NTKNUNKTSYXGJM-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001033420289 1341821451 /nfs/dbraw/zinc/82/14/51/1341821451.db2.gz NTKNUNKTSYXGJM-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CCC3CCCCC3)C2)CC1 ZINC001033532979 1341861660 /nfs/dbraw/zinc/86/16/60/1341861660.db2.gz WVWFAQCIOMVVBN-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033572594 1341878295 /nfs/dbraw/zinc/87/82/95/1341878295.db2.gz VQTWZLFBGADPIB-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001033570497 1341878571 /nfs/dbraw/zinc/87/85/71/1341878571.db2.gz AXTNFMNKUCZSKJ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033570497 1341878572 /nfs/dbraw/zinc/87/85/72/1341878572.db2.gz AXTNFMNKUCZSKJ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033570497 1341878573 /nfs/dbraw/zinc/87/85/73/1341878573.db2.gz AXTNFMNKUCZSKJ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001033669247 1341937688 /nfs/dbraw/zinc/93/76/88/1341937688.db2.gz PTPIUKLXSSTSED-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001033669247 1341937690 /nfs/dbraw/zinc/93/76/90/1341937690.db2.gz PTPIUKLXSSTSED-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033826505 1342027667 /nfs/dbraw/zinc/02/76/67/1342027667.db2.gz QKKLNUADLJVHOU-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033826505 1342027671 /nfs/dbraw/zinc/02/76/71/1342027671.db2.gz QKKLNUADLJVHOU-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033826505 1342027674 /nfs/dbraw/zinc/02/76/74/1342027674.db2.gz QKKLNUADLJVHOU-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033880664 1342057374 /nfs/dbraw/zinc/05/73/74/1342057374.db2.gz YUBGYOOCAVFONL-QAPCUYQASA-N 2 1 342.487 3.225 20 0 EGADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033896509 1342068583 /nfs/dbraw/zinc/06/85/83/1342068583.db2.gz DRQVTFWIQGVEFH-GOSISDBHSA-N 2 1 342.487 3.307 20 0 EGADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001034046279 1342186016 /nfs/dbraw/zinc/18/60/16/1342186016.db2.gz RFOPGNMTNKLLSE-WGLAMXGCSA-N 2 1 349.906 3.037 20 0 EGADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001034046279 1342186019 /nfs/dbraw/zinc/18/60/19/1342186019.db2.gz RFOPGNMTNKLLSE-WGLAMXGCSA-N 2 1 349.906 3.037 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034202734 1342312946 /nfs/dbraw/zinc/31/29/46/1342312946.db2.gz ANKSNTRSKHSTJM-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCCC2)C1 ZINC001034202734 1342312950 /nfs/dbraw/zinc/31/29/50/1342312950.db2.gz ANKSNTRSKHSTJM-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCCC2)C1 ZINC001034202734 1342312954 /nfs/dbraw/zinc/31/29/54/1342312954.db2.gz ANKSNTRSKHSTJM-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034203870 1342313673 /nfs/dbraw/zinc/31/36/73/1342313673.db2.gz HCHATNHDZBLNDF-ZWKOTPCHSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccsc2)C1 ZINC001034203870 1342313677 /nfs/dbraw/zinc/31/36/77/1342313677.db2.gz HCHATNHDZBLNDF-ZWKOTPCHSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccsc2)C1 ZINC001034203870 1342313680 /nfs/dbraw/zinc/31/36/80/1342313680.db2.gz HCHATNHDZBLNDF-ZWKOTPCHSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034281764 1342371298 /nfs/dbraw/zinc/37/12/98/1342371298.db2.gz FSVKIBUVSNBRIU-KRWDZBQOSA-N 2 1 340.471 3.193 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034291548 1342377038 /nfs/dbraw/zinc/37/70/38/1342377038.db2.gz ZHHUPQAYYGDRKY-KRWDZBQOSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(N[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc2c[nH+]cn2c1 ZINC001034310097 1342392947 /nfs/dbraw/zinc/39/29/47/1342392947.db2.gz UCCOCJBCGJQBSV-IBGZPJMESA-N 2 1 348.450 3.119 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCCC[N@@H+](CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001034339399 1342413786 /nfs/dbraw/zinc/41/37/86/1342413786.db2.gz FAUTWZJUYHMKJX-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCCC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001034340783 1342414464 /nfs/dbraw/zinc/41/44/64/1342414464.db2.gz UXTMTGBMTBGXIE-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001034340784 1342414657 /nfs/dbraw/zinc/41/46/57/1342414657.db2.gz UXTMTGBMTBGXIE-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](CC3CCCCCC3)C2)C1 ZINC001034395170 1342463649 /nfs/dbraw/zinc/46/36/49/1342463649.db2.gz VEWNGPRUTWFWSX-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CC3CCCCCC3)C2)C1 ZINC001034395170 1342463652 /nfs/dbraw/zinc/46/36/52/1342463652.db2.gz VEWNGPRUTWFWSX-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001034395170 1342463654 /nfs/dbraw/zinc/46/36/54/1342463654.db2.gz VEWNGPRUTWFWSX-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001034462450 1342518421 /nfs/dbraw/zinc/51/84/21/1342518421.db2.gz NTSGQOAAEFLMNH-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034480046 1342536869 /nfs/dbraw/zinc/53/68/69/1342536869.db2.gz DYHAMGTZTHJUIL-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CC2)C1 ZINC001034480046 1342536874 /nfs/dbraw/zinc/53/68/74/1342536874.db2.gz DYHAMGTZTHJUIL-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CC2)C1 ZINC001034480046 1342536878 /nfs/dbraw/zinc/53/68/78/1342536878.db2.gz DYHAMGTZTHJUIL-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCC)C1 ZINC001034481133 1342538861 /nfs/dbraw/zinc/53/88/61/1342538861.db2.gz QURGPKNVEDEQOW-OALUTQOASA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCCC)C1 ZINC001034481133 1342538863 /nfs/dbraw/zinc/53/88/63/1342538863.db2.gz QURGPKNVEDEQOW-OALUTQOASA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCC)C1 ZINC001034481133 1342538867 /nfs/dbraw/zinc/53/88/67/1342538867.db2.gz QURGPKNVEDEQOW-OALUTQOASA-N 2 1 337.552 3.412 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001034527784 1342584423 /nfs/dbraw/zinc/58/44/23/1342584423.db2.gz HYFVDGUORZDAQN-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528303 1342584623 /nfs/dbraw/zinc/58/46/23/1342584623.db2.gz LWECASFZKNICNS-RTBURBONSA-N 2 1 343.515 3.123 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034538047 1342595236 /nfs/dbraw/zinc/59/52/36/1342595236.db2.gz HMCSFKKKGPYOQW-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034538047 1342595239 /nfs/dbraw/zinc/59/52/39/1342595239.db2.gz HMCSFKKKGPYOQW-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034538047 1342595244 /nfs/dbraw/zinc/59/52/44/1342595244.db2.gz HMCSFKKKGPYOQW-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034538255 1342595294 /nfs/dbraw/zinc/59/52/94/1342595294.db2.gz KHDRVTIOXZLPDX-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034538255 1342595297 /nfs/dbraw/zinc/59/52/97/1342595297.db2.gz KHDRVTIOXZLPDX-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034538255 1342595298 /nfs/dbraw/zinc/59/52/98/1342595298.db2.gz KHDRVTIOXZLPDX-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC001034672373 1342683046 /nfs/dbraw/zinc/68/30/46/1342683046.db2.gz LKCXEJXSQQOGQD-AFYVEPGGSA-N 2 1 343.515 3.249 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1)c1ccccc1 ZINC001034738882 1342729939 /nfs/dbraw/zinc/72/99/39/1342729939.db2.gz XGHNJQLKMIJKKE-HNJRGHQBSA-N 2 1 343.515 3.249 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC001034795656 1342762677 /nfs/dbraw/zinc/76/26/77/1342762677.db2.gz OHPGXWUJUMWDPJ-GUDVDZBRSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001034935988 1342843487 /nfs/dbraw/zinc/84/34/87/1342843487.db2.gz GASKNIZNEQQFBC-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)c1ccccc1Cl ZINC001035013906 1342875768 /nfs/dbraw/zinc/87/57/68/1342875768.db2.gz NUMGBLJYUPXLIF-IIDMSEBBSA-N 2 1 349.906 3.076 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@@H]1C)CC2 ZINC001035227138 1343048540 /nfs/dbraw/zinc/04/85/40/1343048540.db2.gz OOWQBVVPUZNIRC-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@@H]1C)CC2 ZINC001035227138 1343048544 /nfs/dbraw/zinc/04/85/44/1343048544.db2.gz OOWQBVVPUZNIRC-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CCC[C@@H]1C)CC2 ZINC001035227138 1343048549 /nfs/dbraw/zinc/04/85/49/1343048549.db2.gz OOWQBVVPUZNIRC-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233517 1343055010 /nfs/dbraw/zinc/05/50/10/1343055010.db2.gz GKIZYSNSYRQHFP-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035233517 1343055014 /nfs/dbraw/zinc/05/50/14/1343055014.db2.gz GKIZYSNSYRQHFP-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035233517 1343055017 /nfs/dbraw/zinc/05/50/17/1343055017.db2.gz GKIZYSNSYRQHFP-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035741374 1343163432 /nfs/dbraw/zinc/16/34/32/1343163432.db2.gz MEKKZKIXTIJBIP-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)CC2 ZINC001035773079 1343184376 /nfs/dbraw/zinc/18/43/76/1343184376.db2.gz QECJKXKQRQNRKT-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC001036580571 1343563634 /nfs/dbraw/zinc/56/36/34/1343563634.db2.gz DLKRFUXQXWMSBX-DLBZAZTESA-N 2 1 334.508 3.022 20 0 EGADMP CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001037862910 1344147796 /nfs/dbraw/zinc/14/77/96/1344147796.db2.gz WMOBCLFYZHSRCF-UYAOXDASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001038241924 1344339699 /nfs/dbraw/zinc/33/96/99/1344339699.db2.gz XFPJCVXQKXHILJ-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001038241924 1344339701 /nfs/dbraw/zinc/33/97/01/1344339701.db2.gz XFPJCVXQKXHILJ-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCC2(CC2)CC1 ZINC001038241924 1344339704 /nfs/dbraw/zinc/33/97/04/1344339704.db2.gz XFPJCVXQKXHILJ-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CC1CCCC1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038247122 1344342865 /nfs/dbraw/zinc/34/28/65/1344342865.db2.gz GNKSIFRLRFWVQH-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CC1CCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038247122 1344342867 /nfs/dbraw/zinc/34/28/67/1344342867.db2.gz GNKSIFRLRFWVQH-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CC1CCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038247122 1344342870 /nfs/dbraw/zinc/34/28/70/1344342870.db2.gz GNKSIFRLRFWVQH-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001038448555 1344431169 /nfs/dbraw/zinc/43/11/69/1344431169.db2.gz JAIFFMLXOVEHBW-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001038448555 1344431174 /nfs/dbraw/zinc/43/11/74/1344431174.db2.gz JAIFFMLXOVEHBW-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCCC1CCCC1 ZINC001038448555 1344431176 /nfs/dbraw/zinc/43/11/76/1344431176.db2.gz JAIFFMLXOVEHBW-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001038448117 1344431184 /nfs/dbraw/zinc/43/11/84/1344431184.db2.gz HBLZKHIUTWWJHW-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001038448117 1344431186 /nfs/dbraw/zinc/43/11/86/1344431186.db2.gz HBLZKHIUTWWJHW-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCC1 ZINC001038448117 1344431191 /nfs/dbraw/zinc/43/11/91/1344431191.db2.gz HBLZKHIUTWWJHW-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CC1CCCC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038620900 1344508323 /nfs/dbraw/zinc/50/83/23/1344508323.db2.gz FVGPJZRSHGAQBU-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CC1CCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038620900 1344508326 /nfs/dbraw/zinc/50/83/26/1344508326.db2.gz FVGPJZRSHGAQBU-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CC1CCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001038620900 1344508327 /nfs/dbraw/zinc/50/83/27/1344508327.db2.gz FVGPJZRSHGAQBU-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC001038908366 1344646496 /nfs/dbraw/zinc/64/64/96/1344646496.db2.gz IXXMDDDGNRLJAB-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC001038908366 1344646498 /nfs/dbraw/zinc/64/64/98/1344646498.db2.gz IXXMDDDGNRLJAB-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001038908366 1344646502 /nfs/dbraw/zinc/64/65/02/1344646502.db2.gz IXXMDDDGNRLJAB-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001038908366 1344646506 /nfs/dbraw/zinc/64/65/06/1344646506.db2.gz IXXMDDDGNRLJAB-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](C(C)C)C2)CC1 ZINC001039140253 1344820024 /nfs/dbraw/zinc/82/00/24/1344820024.db2.gz RJTRPRWDGIHVQK-PMACEKPBSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001039140253 1344820027 /nfs/dbraw/zinc/82/00/27/1344820027.db2.gz RJTRPRWDGIHVQK-PMACEKPBSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001039140253 1344820029 /nfs/dbraw/zinc/82/00/29/1344820029.db2.gz RJTRPRWDGIHVQK-PMACEKPBSA-N 2 1 349.563 3.076 20 0 EGADMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001039281067 1344995042 /nfs/dbraw/zinc/99/50/42/1344995042.db2.gz JKYBDHVUABXRIQ-FQVATPOOSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001039422925 1345060940 /nfs/dbraw/zinc/06/09/40/1345060940.db2.gz SYNXTGWBKUXSBQ-AABGKKOBSA-N 2 1 347.547 3.257 20 0 EGADMP CC(C)[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001039422925 1345060941 /nfs/dbraw/zinc/06/09/41/1345060941.db2.gz SYNXTGWBKUXSBQ-AABGKKOBSA-N 2 1 347.547 3.257 20 0 EGADMP CC(C)[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001039422925 1345060945 /nfs/dbraw/zinc/06/09/45/1345060945.db2.gz SYNXTGWBKUXSBQ-AABGKKOBSA-N 2 1 347.547 3.257 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001040014903 1345288197 /nfs/dbraw/zinc/28/81/97/1345288197.db2.gz UAVHZXJJZPLCIV-QGZVKYPTSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040202037 1345373524 /nfs/dbraw/zinc/37/35/24/1345373524.db2.gz PGGLUEMRAYEZSL-CTNGQTDRSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202037 1345373527 /nfs/dbraw/zinc/37/35/27/1345373527.db2.gz PGGLUEMRAYEZSL-CTNGQTDRSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202037 1345373530 /nfs/dbraw/zinc/37/35/30/1345373530.db2.gz PGGLUEMRAYEZSL-CTNGQTDRSA-N 2 1 347.547 3.140 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040211085 1345377664 /nfs/dbraw/zinc/37/76/64/1345377664.db2.gz TVSQOWLDVDKAJH-YFVAEKQCSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001040211085 1345377666 /nfs/dbraw/zinc/37/76/66/1345377666.db2.gz TVSQOWLDVDKAJH-YFVAEKQCSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040211085 1345377671 /nfs/dbraw/zinc/37/76/71/1345377671.db2.gz TVSQOWLDVDKAJH-YFVAEKQCSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC(C)C)C2 ZINC001040232177 1345387242 /nfs/dbraw/zinc/38/72/42/1345387242.db2.gz OIEFGMIZUSFYPI-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC(C)C)C2 ZINC001040232177 1345387247 /nfs/dbraw/zinc/38/72/47/1345387247.db2.gz OIEFGMIZUSFYPI-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC(C)C)C2 ZINC001040232177 1345387253 /nfs/dbraw/zinc/38/72/53/1345387253.db2.gz OIEFGMIZUSFYPI-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001040349126 1345447432 /nfs/dbraw/zinc/44/74/32/1345447432.db2.gz VGUALUWYJUXYHY-CTNGQTDRSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001040349126 1345447434 /nfs/dbraw/zinc/44/74/34/1345447434.db2.gz VGUALUWYJUXYHY-CTNGQTDRSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040349126 1345447436 /nfs/dbraw/zinc/44/74/36/1345447436.db2.gz VGUALUWYJUXYHY-CTNGQTDRSA-N 2 1 349.563 3.223 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@]3(C2)CCC[NH+](CCC(C)(C)C)C3)C1 ZINC001040396971 1345475437 /nfs/dbraw/zinc/47/54/37/1345475437.db2.gz XHXXKDRKTQTSPS-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@]3(C2)CCC[N@H+](CCC(C)(C)C)C3)C1 ZINC001040396971 1345475439 /nfs/dbraw/zinc/47/54/39/1345475439.db2.gz XHXXKDRKTQTSPS-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC(C)(C)C)C3)C1 ZINC001040396971 1345475443 /nfs/dbraw/zinc/47/54/43/1345475443.db2.gz XHXXKDRKTQTSPS-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040543622 1345539523 /nfs/dbraw/zinc/53/95/23/1345539523.db2.gz PVZBRZRNKXTYNB-NRFANRHFSA-N 2 1 347.547 3.143 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)CC1 ZINC001040705866 1345568011 /nfs/dbraw/zinc/56/80/11/1345568011.db2.gz LZPFXAVROLBSDH-KRWDZBQOSA-N 2 1 346.519 3.121 20 0 EGADMP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001040948566 1345607869 /nfs/dbraw/zinc/60/78/69/1345607869.db2.gz UMZNQNZMSQPXTL-KDURUIRLSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041307071 1345697443 /nfs/dbraw/zinc/69/74/43/1345697443.db2.gz NOFALTRYICHSPA-ZVDOUQERSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001041307071 1345697445 /nfs/dbraw/zinc/69/74/45/1345697445.db2.gz NOFALTRYICHSPA-ZVDOUQERSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001041307071 1345697447 /nfs/dbraw/zinc/69/74/47/1345697447.db2.gz NOFALTRYICHSPA-ZVDOUQERSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CCCC3CCCC3)C2)C1)[NH+](C)C ZINC001041405103 1345718982 /nfs/dbraw/zinc/71/89/82/1345718982.db2.gz ZYBREJZFPAWWLT-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCCC3CCCC3)C2)C1)[NH+](C)C ZINC001041405104 1345719475 /nfs/dbraw/zinc/71/94/75/1345719475.db2.gz ZYBREJZFPAWWLT-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041590173 1345784709 /nfs/dbraw/zinc/78/47/09/1345784709.db2.gz OMQCYZKVRNXPIL-PZJWPPBQSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041590173 1345784712 /nfs/dbraw/zinc/78/47/12/1345784712.db2.gz OMQCYZKVRNXPIL-PZJWPPBQSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001041590173 1345784715 /nfs/dbraw/zinc/78/47/15/1345784715.db2.gz OMQCYZKVRNXPIL-PZJWPPBQSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041590176 1345785065 /nfs/dbraw/zinc/78/50/65/1345785065.db2.gz OMQCYZKVRNXPIL-TZIWHRDSSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041590176 1345785067 /nfs/dbraw/zinc/78/50/67/1345785067.db2.gz OMQCYZKVRNXPIL-TZIWHRDSSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001041590176 1345785069 /nfs/dbraw/zinc/78/50/69/1345785069.db2.gz OMQCYZKVRNXPIL-TZIWHRDSSA-N 2 1 347.547 3.118 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041769410 1345843537 /nfs/dbraw/zinc/84/35/37/1345843537.db2.gz OMCOTIXGZWRAJZ-RXVVDRJESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041846175 1345872074 /nfs/dbraw/zinc/87/20/74/1345872074.db2.gz YTSACMXPOCALNH-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042371024 1346060785 /nfs/dbraw/zinc/06/07/85/1346060785.db2.gz KDXJICFJXFQXIC-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCCC2CCCC2)C1 ZINC001043198522 1346152236 /nfs/dbraw/zinc/15/22/36/1346152236.db2.gz SHMTZBCTDUNBTO-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCCC2CCCC2)C1 ZINC001043198522 1346152240 /nfs/dbraw/zinc/15/22/40/1346152240.db2.gz SHMTZBCTDUNBTO-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H](C(=O)N(C)C1C[NH+](CCCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001044004023 1346232607 /nfs/dbraw/zinc/23/26/07/1346232607.db2.gz XNTHWNMJQSRBGJ-SFHVURJKSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CC2CCC(C)CC2)C1 ZINC001044006080 1346232707 /nfs/dbraw/zinc/23/27/07/1346232707.db2.gz MCZXGALNARGZLW-AFMYVXGZSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044630473 1346387989 /nfs/dbraw/zinc/38/79/89/1346387989.db2.gz WSMARCCCOUNZNF-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044630472 1346388240 /nfs/dbraw/zinc/38/82/40/1346388240.db2.gz WSMARCCCOUNZNF-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CCCCC2)C1 ZINC001045065627 1346488631 /nfs/dbraw/zinc/48/86/31/1346488631.db2.gz BECYQEBROWFADT-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045067829 1346489223 /nfs/dbraw/zinc/48/92/23/1346489223.db2.gz AHFSNRYHOLHBJB-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1)C1CCC1 ZINC001045070577 1346489643 /nfs/dbraw/zinc/48/96/43/1346489643.db2.gz LSQZBKUDGHADPB-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045271591 1346545116 /nfs/dbraw/zinc/54/51/16/1346545116.db2.gz ZWNKKLBMSWWFNC-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CCCC2CCCC2)CC1 ZINC001045385555 1346579835 /nfs/dbraw/zinc/57/98/35/1346579835.db2.gz SZVAYZDXWKEDMP-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCC(C)(NC(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC001045390270 1346580747 /nfs/dbraw/zinc/58/07/47/1346580747.db2.gz PQOAASARMVAOGG-PKOBYXMFSA-N 2 1 343.515 3.121 20 0 EGADMP CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC[NH+](CC2CCCC2)CC1 ZINC001045475667 1346602852 /nfs/dbraw/zinc/60/28/52/1346602852.db2.gz OFMNHPUBDGWNQQ-MOPGFXCFSA-N 2 1 347.547 3.164 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC2(C)CC[NH+](CCC3CCCCCC3)CC2)C1 ZINC001045639773 1346656122 /nfs/dbraw/zinc/65/61/22/1346656122.db2.gz RDSDXTOATITSMF-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001045942695 1346778179 /nfs/dbraw/zinc/77/81/79/1346778179.db2.gz XJNCSFHJKQRWNS-NRFANRHFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001045943287 1346779540 /nfs/dbraw/zinc/77/95/40/1346779540.db2.gz HNCCHUASYMEBKX-PZJWPPBQSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045943287 1346779543 /nfs/dbraw/zinc/77/95/43/1346779543.db2.gz HNCCHUASYMEBKX-PZJWPPBQSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001045943287 1346779545 /nfs/dbraw/zinc/77/95/45/1346779545.db2.gz HNCCHUASYMEBKX-PZJWPPBQSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945749 1346781590 /nfs/dbraw/zinc/78/15/90/1346781590.db2.gz YTQMJFLKDVVKRM-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001045945749 1346781591 /nfs/dbraw/zinc/78/15/91/1346781591.db2.gz YTQMJFLKDVVKRM-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001045945749 1346781592 /nfs/dbraw/zinc/78/15/92/1346781592.db2.gz YTQMJFLKDVVKRM-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045949135 1346783989 /nfs/dbraw/zinc/78/39/89/1346783989.db2.gz YLIKJBYXSHBORM-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001045949135 1346783991 /nfs/dbraw/zinc/78/39/91/1346783991.db2.gz YLIKJBYXSHBORM-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001045949135 1346783992 /nfs/dbraw/zinc/78/39/92/1346783992.db2.gz YLIKJBYXSHBORM-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949318 1346784144 /nfs/dbraw/zinc/78/41/44/1346784144.db2.gz DHELIBLZKSZPTD-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001045949318 1346784145 /nfs/dbraw/zinc/78/41/45/1346784145.db2.gz DHELIBLZKSZPTD-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001045949318 1346784149 /nfs/dbraw/zinc/78/41/49/1346784149.db2.gz DHELIBLZKSZPTD-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960832 1346796237 /nfs/dbraw/zinc/79/62/37/1346796237.db2.gz UGGVSCJCSKCWGG-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001045960976 1346796474 /nfs/dbraw/zinc/79/64/74/1346796474.db2.gz XZNFBALJITTWRL-FQEVSTJZSA-N 2 1 347.503 3.068 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045966037 1346801388 /nfs/dbraw/zinc/80/13/88/1346801388.db2.gz YIVFACXBHQYSGK-UYAOXDASSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1)[NH+](C)C ZINC001045967031 1346801866 /nfs/dbraw/zinc/80/18/66/1346801866.db2.gz LJPRXUNXHVJHPP-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001045969137 1346804111 /nfs/dbraw/zinc/80/41/11/1346804111.db2.gz MCVGFDPPUUSJQU-FQEVSTJZSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001045969137 1346804113 /nfs/dbraw/zinc/80/41/13/1346804113.db2.gz MCVGFDPPUUSJQU-FQEVSTJZSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001045972561 1346808527 /nfs/dbraw/zinc/80/85/27/1346808527.db2.gz DSXSKEOASMAEHB-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001045972561 1346808529 /nfs/dbraw/zinc/80/85/29/1346808529.db2.gz DSXSKEOASMAEHB-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001045972561 1346808531 /nfs/dbraw/zinc/80/85/31/1346808531.db2.gz DSXSKEOASMAEHB-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045986678 1346828635 /nfs/dbraw/zinc/82/86/35/1346828635.db2.gz XZUWNJGCQIIAQS-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CC2CCCCC2)C1 ZINC001046316364 1346931940 /nfs/dbraw/zinc/93/19/40/1346931940.db2.gz PFILETUHEMVOKV-AZUAARDMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC2CCCCC2)C1 ZINC001046316364 1346931943 /nfs/dbraw/zinc/93/19/43/1346931943.db2.gz PFILETUHEMVOKV-AZUAARDMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC2CCCCC2)C1 ZINC001046316364 1346931947 /nfs/dbraw/zinc/93/19/47/1346931947.db2.gz PFILETUHEMVOKV-AZUAARDMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCC2CCCC2)C1 ZINC001046316058 1346932457 /nfs/dbraw/zinc/93/24/57/1346932457.db2.gz NDOAECRLWMJSJK-AZUAARDMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCC2CCCC2)C1 ZINC001046316058 1346932460 /nfs/dbraw/zinc/93/24/60/1346932460.db2.gz NDOAECRLWMJSJK-AZUAARDMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCC2CCCC2)C1 ZINC001046316058 1346932461 /nfs/dbraw/zinc/93/24/61/1346932461.db2.gz NDOAECRLWMJSJK-AZUAARDMSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1c(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001046435266 1346975176 /nfs/dbraw/zinc/97/51/76/1346975176.db2.gz AFENIVYYLUWFMV-OAQYLSRUSA-N 2 1 348.450 3.037 20 0 EGADMP Cc1cccc(C[N@H+]2CC[C@@](C)(NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001046449293 1346977940 /nfs/dbraw/zinc/97/79/40/1346977940.db2.gz BOFWHSSITRHFJX-OAQYLSRUSA-N 2 1 348.450 3.037 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@]2(C)CC[NH+](CCC3CCCC3)C2)C1 ZINC001046561994 1347018315 /nfs/dbraw/zinc/01/83/15/1347018315.db2.gz LCENLLJFMKBVDT-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCC3CCCC3)C2)C1 ZINC001046561994 1347018316 /nfs/dbraw/zinc/01/83/16/1347018316.db2.gz LCENLLJFMKBVDT-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001046561994 1347018318 /nfs/dbraw/zinc/01/83/18/1347018318.db2.gz LCENLLJFMKBVDT-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CCC(C)C)C2)o1 ZINC001046864227 1347137187 /nfs/dbraw/zinc/13/71/87/1347137187.db2.gz QAJSDDSWTXBXIW-HXUWFJFHSA-N 2 1 349.519 3.362 20 0 EGADMP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001047241109 1347267545 /nfs/dbraw/zinc/26/75/45/1347267545.db2.gz LBAXRZATLNWGFX-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047242542 1347268560 /nfs/dbraw/zinc/26/85/60/1347268560.db2.gz UVRQYHHJIVOHMK-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001048526251 1347577976 /nfs/dbraw/zinc/57/79/76/1347577976.db2.gz LFZUPKUHRGSMAB-IYWMVGAKSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001048526251 1347577979 /nfs/dbraw/zinc/57/79/79/1347577979.db2.gz LFZUPKUHRGSMAB-IYWMVGAKSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001048526251 1347577982 /nfs/dbraw/zinc/57/79/82/1347577982.db2.gz LFZUPKUHRGSMAB-IYWMVGAKSA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)CC1 ZINC001048560805 1347593799 /nfs/dbraw/zinc/59/37/99/1347593799.db2.gz STKDREFOMFVPLP-GGPHIMKMSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048582990 1347604997 /nfs/dbraw/zinc/60/49/97/1347604997.db2.gz BNJSDOCTCAXCJO-FSGKZVOOSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[NH+](CCC(C)(C)C)C[C@@H]2C1 ZINC001048862099 1347672590 /nfs/dbraw/zinc/67/25/90/1347672590.db2.gz PLRBFVPZSBOZFF-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001048862099 1347672591 /nfs/dbraw/zinc/67/25/91/1347672591.db2.gz PLRBFVPZSBOZFF-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001048862099 1347672594 /nfs/dbraw/zinc/67/25/94/1347672594.db2.gz PLRBFVPZSBOZFF-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CCCC1)[NH+](C)C ZINC001049709787 1347985542 /nfs/dbraw/zinc/98/55/42/1347985542.db2.gz JNMVWVYNHIRHDV-XUVXKRRUSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCCC1 ZINC001049723815 1347990830 /nfs/dbraw/zinc/99/08/30/1347990830.db2.gz OZIWKRYADJVBHC-HOJAQTOUSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCCC1 ZINC001049723815 1347990833 /nfs/dbraw/zinc/99/08/33/1347990833.db2.gz OZIWKRYADJVBHC-HOJAQTOUSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCCC1 ZINC001049723815 1347990834 /nfs/dbraw/zinc/99/08/34/1347990834.db2.gz OZIWKRYADJVBHC-HOJAQTOUSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CCCCC1)[NH+](C)C ZINC001049726666 1347991190 /nfs/dbraw/zinc/99/11/90/1347991190.db2.gz GGXPOPZCZZXZJC-XUVXKRRUSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1CCCC1 ZINC001049725292 1347991412 /nfs/dbraw/zinc/99/14/12/1347991412.db2.gz WHKFIOVXRQEMJD-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CCCC1 ZINC001049725292 1347991415 /nfs/dbraw/zinc/99/14/15/1347991415.db2.gz WHKFIOVXRQEMJD-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CCCC1 ZINC001049725292 1347991416 /nfs/dbraw/zinc/99/14/16/1347991416.db2.gz WHKFIOVXRQEMJD-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1CC1 ZINC001049767120 1348010556 /nfs/dbraw/zinc/01/05/56/1348010556.db2.gz NSYSPKLFZXYPKU-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CC1 ZINC001049767120 1348010558 /nfs/dbraw/zinc/01/05/58/1348010558.db2.gz NSYSPKLFZXYPKU-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CC1 ZINC001049767120 1348010562 /nfs/dbraw/zinc/01/05/62/1348010562.db2.gz NSYSPKLFZXYPKU-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806976 1348028929 /nfs/dbraw/zinc/02/89/29/1348028929.db2.gz QIQFBDXDTBQXTD-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049926667 1348117193 /nfs/dbraw/zinc/11/71/93/1348117193.db2.gz QKXSCIBMEZLZCE-ROUUACIJSA-N 2 1 347.503 3.210 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001050253657 1348219456 /nfs/dbraw/zinc/21/94/56/1348219456.db2.gz MSIDIMABPFCLSS-XLIONFOSSA-N 2 1 345.531 3.263 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3=CCCCC3)CC2)C1 ZINC001050368097 1348240565 /nfs/dbraw/zinc/24/05/65/1348240565.db2.gz RTCZIMZOWZPIBP-MISYRCLQSA-N 2 1 347.547 3.093 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2CC2)CC1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001052381187 1348537030 /nfs/dbraw/zinc/53/70/30/1348537030.db2.gz MBQFLSRRTQACRR-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CC2CC2)CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001052381187 1348537031 /nfs/dbraw/zinc/53/70/31/1348537031.db2.gz MBQFLSRRTQACRR-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001052381187 1348537033 /nfs/dbraw/zinc/53/70/33/1348537033.db2.gz MBQFLSRRTQACRR-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052448124 1348544549 /nfs/dbraw/zinc/54/45/49/1348544549.db2.gz VBSFUQWGIFZIOZ-MSOLQXFVSA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052448124 1348544550 /nfs/dbraw/zinc/54/45/50/1348544550.db2.gz VBSFUQWGIFZIOZ-MSOLQXFVSA-N 2 1 346.519 3.167 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC001052499535 1348560233 /nfs/dbraw/zinc/56/02/33/1348560233.db2.gz XBYCQKBYZKNZHQ-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC001052499535 1348560234 /nfs/dbraw/zinc/56/02/34/1348560234.db2.gz XBYCQKBYZKNZHQ-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001052499535 1348560236 /nfs/dbraw/zinc/56/02/36/1348560236.db2.gz XBYCQKBYZKNZHQ-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052531440 1348567797 /nfs/dbraw/zinc/56/77/97/1348567797.db2.gz IUAOCZKWBMYOBM-KRWDZBQOSA-N 2 1 342.487 3.355 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052561508 1348579825 /nfs/dbraw/zinc/57/98/25/1348579825.db2.gz AEGJDNKNEBYKOE-QGZVFWFLSA-N 2 1 342.487 3.355 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591637 1348588548 /nfs/dbraw/zinc/58/85/48/1348588548.db2.gz PYMYDUJQJKEPBR-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CC3CC(C)(C)C3)CC2)CC[N@H+]1C ZINC001052658810 1348617011 /nfs/dbraw/zinc/61/70/11/1348617011.db2.gz ZKYWPXSKXNNICX-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CC3CC(C)(C)C3)CC2)CC[NH+]1C ZINC001052658810 1348617014 /nfs/dbraw/zinc/61/70/14/1348617014.db2.gz ZKYWPXSKXNNICX-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC3CC(C)(C)C3)CC2)CC[NH+]1C ZINC001052658810 1348617016 /nfs/dbraw/zinc/61/70/16/1348617016.db2.gz ZKYWPXSKXNNICX-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CCC(C)(C)C)CC2)CC[N@H+]1C ZINC001052658790 1348617047 /nfs/dbraw/zinc/61/70/47/1348617047.db2.gz YPNFMZBKRSZWSW-BZSNNMDCSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CCC(C)(C)C)CC2)CC[NH+]1C ZINC001052658790 1348617048 /nfs/dbraw/zinc/61/70/48/1348617048.db2.gz YPNFMZBKRSZWSW-BZSNNMDCSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCC(C)(C)C)CC2)CC[NH+]1C ZINC001052658790 1348617050 /nfs/dbraw/zinc/61/70/50/1348617050.db2.gz YPNFMZBKRSZWSW-BZSNNMDCSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC3CCCCC3)CC2)CC1 ZINC001052677858 1348626283 /nfs/dbraw/zinc/62/62/83/1348626283.db2.gz RYEZBDIBFGYHBV-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052716306 1348646453 /nfs/dbraw/zinc/64/64/53/1348646453.db2.gz LHAHWFJBCQVDAU-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001052716306 1348646456 /nfs/dbraw/zinc/64/64/56/1348646456.db2.gz LHAHWFJBCQVDAU-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001052716306 1348646458 /nfs/dbraw/zinc/64/64/58/1348646458.db2.gz LHAHWFJBCQVDAU-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CCC3CCCC3)CC2)C1 ZINC001052717805 1348646874 /nfs/dbraw/zinc/64/68/74/1348646874.db2.gz ZZDARMQTDDUUCN-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCC3CCCC3)CC2)C1 ZINC001052717805 1348646876 /nfs/dbraw/zinc/64/68/76/1348646876.db2.gz ZZDARMQTDDUUCN-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCC3CCCC3)CC2)C1 ZINC001052717805 1348646877 /nfs/dbraw/zinc/64/68/77/1348646877.db2.gz ZZDARMQTDDUUCN-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052788555 1348680125 /nfs/dbraw/zinc/68/01/25/1348680125.db2.gz SUFRNBXGVKLRES-YLJYHZDGSA-N 2 1 345.531 3.379 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC)CC1 ZINC001052860428 1348706043 /nfs/dbraw/zinc/70/60/43/1348706043.db2.gz TZUMSYAZCVVVKI-RBUKOAKNSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCCC)CC1 ZINC001052860428 1348706045 /nfs/dbraw/zinc/70/60/45/1348706045.db2.gz TZUMSYAZCVVVKI-RBUKOAKNSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC)CC1 ZINC001052860428 1348706047 /nfs/dbraw/zinc/70/60/47/1348706047.db2.gz TZUMSYAZCVVVKI-RBUKOAKNSA-N 2 1 337.552 3.412 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](C/C=C/Cl)CC2)c1 ZINC001052954157 1348768819 /nfs/dbraw/zinc/76/88/19/1348768819.db2.gz LVDDZWQJIMYPCA-DNXKIMQPSA-N 2 1 349.906 3.085 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052956656 1348771161 /nfs/dbraw/zinc/77/11/61/1348771161.db2.gz WIOXDBUYHHAYCR-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001052956656 1348771163 /nfs/dbraw/zinc/77/11/63/1348771163.db2.gz WIOXDBUYHHAYCR-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001052956656 1348771165 /nfs/dbraw/zinc/77/11/65/1348771165.db2.gz WIOXDBUYHHAYCR-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036897 1348836558 /nfs/dbraw/zinc/83/65/58/1348836558.db2.gz RVDNOTLWYKNBJF-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053042401 1348844169 /nfs/dbraw/zinc/84/41/69/1348844169.db2.gz PSPVPDIRDZFCMD-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053105076 1348941314 /nfs/dbraw/zinc/94/13/14/1348941314.db2.gz LGICKFMARJMIEQ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164278 1349167425 /nfs/dbraw/zinc/16/74/25/1349167425.db2.gz FZXVZLJFRYRWDA-HXUWFJFHSA-N 2 1 340.471 3.063 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@]3(CC[NH+](CC(C)C)C3)C2)C1 ZINC001054182931 1349186165 /nfs/dbraw/zinc/18/61/65/1349186165.db2.gz UOIVWNGJNNVRKX-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@]3(CC[N@H+](CC(C)C)C3)C2)C1 ZINC001054182931 1349186167 /nfs/dbraw/zinc/18/61/67/1349186167.db2.gz UOIVWNGJNNVRKX-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@]3(CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001054182931 1349186170 /nfs/dbraw/zinc/18/61/70/1349186170.db2.gz UOIVWNGJNNVRKX-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054205822 1349207710 /nfs/dbraw/zinc/20/77/10/1349207710.db2.gz YGNFHFPVZLYKOG-FQEVSTJZSA-N 2 1 346.519 3.121 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054205822 1349207714 /nfs/dbraw/zinc/20/77/14/1349207714.db2.gz YGNFHFPVZLYKOG-FQEVSTJZSA-N 2 1 346.519 3.121 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209167 1349210860 /nfs/dbraw/zinc/21/08/60/1349210860.db2.gz KPXDYPMWUTZBPI-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054223275 1349218249 /nfs/dbraw/zinc/21/82/49/1349218249.db2.gz RVXBOZIICSTPQJ-OAQYLSRUSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245230 1349238822 /nfs/dbraw/zinc/23/88/22/1349238822.db2.gz QKUXARJFWWWAOS-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1Cc2ccc(CNC(=O)c3ccc4c[nH+]cn4c3)cc2C1 ZINC001054274037 1349274250 /nfs/dbraw/zinc/27/42/50/1349274250.db2.gz OBDGHUDBRZBFHS-UHFFFAOYSA-N 2 1 348.450 3.380 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001080050621 1357468285 /nfs/dbraw/zinc/46/82/85/1357468285.db2.gz CJYKSUSHSGJJEA-GQIGUUNPSA-N 2 1 348.450 3.146 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318256 1357571918 /nfs/dbraw/zinc/57/19/18/1357571918.db2.gz LWHSEDCFONJYDJ-RLLQIKCJSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001080318256 1357571921 /nfs/dbraw/zinc/57/19/21/1357571921.db2.gz LWHSEDCFONJYDJ-RLLQIKCJSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001080318256 1357571925 /nfs/dbraw/zinc/57/19/25/1357571925.db2.gz LWHSEDCFONJYDJ-RLLQIKCJSA-N 2 1 347.547 3.186 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001080318469 1357572344 /nfs/dbraw/zinc/57/23/44/1357572344.db2.gz STEHAXZBBWGVMZ-NSISKUIASA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1C[NH+](CCC2CC2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001080318469 1357572347 /nfs/dbraw/zinc/57/23/47/1357572347.db2.gz STEHAXZBBWGVMZ-NSISKUIASA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1C[NH+](CCC2CC2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001080318469 1357572352 /nfs/dbraw/zinc/57/23/52/1357572352.db2.gz STEHAXZBBWGVMZ-NSISKUIASA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@H+]1CC1CCCC1 ZINC001071508720 1354733713 /nfs/dbraw/zinc/73/37/13/1354733713.db2.gz SHWJSDDBPVHQQM-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[N@@H+]1CCC1CC1 ZINC001071546959 1354760109 /nfs/dbraw/zinc/76/01/09/1354760109.db2.gz PFSAPAWDLMZTKU-YOEHRIQHSA-N 2 1 349.544 3.193 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[N@H+]1CCC1CC1 ZINC001071546959 1354760112 /nfs/dbraw/zinc/76/01/12/1354760112.db2.gz PFSAPAWDLMZTKU-YOEHRIQHSA-N 2 1 349.544 3.193 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@H+]1Cc1ccccc1 ZINC001071653043 1354828808 /nfs/dbraw/zinc/82/88/08/1354828808.db2.gz RLCHQYQRGKTODJ-LPHOPBHVSA-N 2 1 348.450 3.117 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CC1CC(C)(C)C1 ZINC001071871994 1354996881 /nfs/dbraw/zinc/99/68/81/1354996881.db2.gz KPSDSEPKPQBXMR-VQIMIIECSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@@H+]1C/C=C\Cl ZINC001071898030 1355012518 /nfs/dbraw/zinc/01/25/18/1355012518.db2.gz TWCHETFHZPUQAZ-ZKNREIEKSA-N 2 1 349.906 3.083 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@H+]1C/C=C\Cl ZINC001071898030 1355012521 /nfs/dbraw/zinc/01/25/21/1355012521.db2.gz TWCHETFHZPUQAZ-ZKNREIEKSA-N 2 1 349.906 3.083 20 0 EGADMP CC(C)CC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071897847 1355012978 /nfs/dbraw/zinc/01/29/78/1355012978.db2.gz QDQYRDOYQBNIKE-FXAWDEMLSA-N 2 1 345.531 3.377 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072096359 1355127642 /nfs/dbraw/zinc/12/76/42/1355127642.db2.gz YBWBHMWXDZSQBN-FXAWDEMLSA-N 2 1 343.515 3.297 20 0 EGADMP CCCC[N@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072099700 1355129976 /nfs/dbraw/zinc/12/99/76/1355129976.db2.gz VXIJODQPIBWNJW-FUHWJXTLSA-N 2 1 331.504 3.131 20 0 EGADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001072301112 1355228775 /nfs/dbraw/zinc/22/87/75/1355228775.db2.gz NMTCRUMCPUZMCF-MJGOQNOKSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC2CCC2)C1 ZINC001074056050 1356059191 /nfs/dbraw/zinc/05/91/91/1356059191.db2.gz WSXXXTOOVRAHOP-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CCC2)C1 ZINC001074056050 1356059193 /nfs/dbraw/zinc/05/91/93/1356059193.db2.gz WSXXXTOOVRAHOP-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CCC2)C1 ZINC001074056050 1356059196 /nfs/dbraw/zinc/05/91/96/1356059196.db2.gz WSXXXTOOVRAHOP-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@@H]1C ZINC001074877693 1356276739 /nfs/dbraw/zinc/27/67/39/1356276739.db2.gz HMIFFVGIQIFJLS-LNLFQRSKSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001075457541 1356389549 /nfs/dbraw/zinc/38/95/49/1356389549.db2.gz VLKMRXXSBXXJTF-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001183256391 1387286388 /nfs/dbraw/zinc/28/63/88/1387286388.db2.gz VIGKUYNBHQNCTN-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CC1CCCC1 ZINC001082559222 1358057115 /nfs/dbraw/zinc/05/71/15/1358057115.db2.gz YFQXXALCKZWOKU-NSISKUIASA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CCC1CCCCC1 ZINC001082705766 1358078557 /nfs/dbraw/zinc/07/85/57/1358078557.db2.gz ZSBKWHDOOMMESP-LCLWPZTBSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084603817 1358254095 /nfs/dbraw/zinc/25/40/95/1358254095.db2.gz MNEQSRUBEVHYMG-YZGWKJHDSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603817 1358254101 /nfs/dbraw/zinc/25/41/01/1358254101.db2.gz MNEQSRUBEVHYMG-YZGWKJHDSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603817 1358254103 /nfs/dbraw/zinc/25/41/03/1358254103.db2.gz MNEQSRUBEVHYMG-YZGWKJHDSA-N 2 1 347.547 3.116 20 0 EGADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085199362 1358432112 /nfs/dbraw/zinc/43/21/12/1358432112.db2.gz IFDVUPLKDYLHRF-MISYRCLQSA-N 2 1 347.547 3.068 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001085245838 1358443352 /nfs/dbraw/zinc/44/33/52/1358443352.db2.gz PDWBRFGPJRFFFV-VAMGGRTRSA-N 2 1 347.547 3.378 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001085432481 1358498245 /nfs/dbraw/zinc/49/82/45/1358498245.db2.gz ZOXVHVBZQZAFGK-AQNXPRMDSA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001085593574 1358620005 /nfs/dbraw/zinc/62/00/05/1358620005.db2.gz MITYCVHQGLFQLY-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001085593574 1358620007 /nfs/dbraw/zinc/62/00/07/1358620007.db2.gz MITYCVHQGLFQLY-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001085593574 1358620011 /nfs/dbraw/zinc/62/00/11/1358620011.db2.gz MITYCVHQGLFQLY-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC2CCC(C)(C)CC2)CC[N@H+]1C ZINC001085605179 1358627686 /nfs/dbraw/zinc/62/76/86/1358627686.db2.gz BZPBQFXNYGIZBM-NZSAHSFTSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CCC(C)(C)CC2)CC[NH+]1C ZINC001085605179 1358627687 /nfs/dbraw/zinc/62/76/87/1358627687.db2.gz BZPBQFXNYGIZBM-NZSAHSFTSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CCC(C)(C)CC2)CC[NH+]1C ZINC001085605179 1358627691 /nfs/dbraw/zinc/62/76/91/1358627691.db2.gz BZPBQFXNYGIZBM-NZSAHSFTSA-N 2 1 349.563 3.076 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCC(C)(C)C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085638839 1358652399 /nfs/dbraw/zinc/65/23/99/1358652399.db2.gz BSKBECCNEAZCHF-MOPGFXCFSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C[C@H]1CC[NH+]1CCC(C)(C)C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085638839 1358652404 /nfs/dbraw/zinc/65/24/04/1358652404.db2.gz BSKBECCNEAZCHF-MOPGFXCFSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C[C@H]1CC[NH+]1CCC(C)(C)C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085638839 1358652409 /nfs/dbraw/zinc/65/24/09/1358652409.db2.gz BSKBECCNEAZCHF-MOPGFXCFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1=CCCCC1 ZINC001085687551 1358688552 /nfs/dbraw/zinc/68/85/52/1358688552.db2.gz QNLADQXKBHBVLS-PMACEKPBSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001085687551 1358688555 /nfs/dbraw/zinc/68/85/55/1358688555.db2.gz QNLADQXKBHBVLS-PMACEKPBSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1=CCCCC1 ZINC001085687551 1358688556 /nfs/dbraw/zinc/68/85/56/1358688556.db2.gz QNLADQXKBHBVLS-PMACEKPBSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2CC(C)(C)C2)C1 ZINC001085778751 1358753638 /nfs/dbraw/zinc/75/36/38/1358753638.db2.gz GMHLEOBGVZRMLC-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC2CC(C)(C)C2)C1 ZINC001085778751 1358753639 /nfs/dbraw/zinc/75/36/39/1358753639.db2.gz GMHLEOBGVZRMLC-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC2CC(C)(C)C2)C1 ZINC001085778751 1358753643 /nfs/dbraw/zinc/75/36/43/1358753643.db2.gz GMHLEOBGVZRMLC-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782622 1358758602 /nfs/dbraw/zinc/75/86/02/1358758602.db2.gz ZDQMUZSUGHULBO-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782622 1358758604 /nfs/dbraw/zinc/75/86/04/1358758604.db2.gz ZDQMUZSUGHULBO-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782622 1358758610 /nfs/dbraw/zinc/75/86/10/1358758610.db2.gz ZDQMUZSUGHULBO-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782622 1358758612 /nfs/dbraw/zinc/75/86/12/1358758612.db2.gz ZDQMUZSUGHULBO-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CCCCC2)CC1 ZINC001085902987 1358860801 /nfs/dbraw/zinc/86/08/01/1358860801.db2.gz RYHWORZJBSCHIE-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC(C)C ZINC001085919046 1358878778 /nfs/dbraw/zinc/87/87/78/1358878778.db2.gz RHVZLIKMABBMCC-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(C)C ZINC001085919046 1358878782 /nfs/dbraw/zinc/87/87/82/1358878782.db2.gz RHVZLIKMABBMCC-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)C ZINC001085919046 1358878786 /nfs/dbraw/zinc/87/87/86/1358878786.db2.gz RHVZLIKMABBMCC-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2CCC2CC2)o1 ZINC001085994857 1358950262 /nfs/dbraw/zinc/95/02/62/1358950262.db2.gz WVDALRAUQKXHKI-QGZVFWFLSA-N 2 1 347.503 3.068 20 0 EGADMP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001086222102 1359032002 /nfs/dbraw/zinc/03/20/02/1359032002.db2.gz ZSUJKPIZVFKBMQ-ZGXWSNOMSA-N 2 1 347.547 3.068 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086382397 1359083550 /nfs/dbraw/zinc/08/35/50/1359083550.db2.gz FQISUIWKNHPFTE-VAMGGRTRSA-N 2 1 347.547 3.236 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086477854 1359113794 /nfs/dbraw/zinc/11/37/94/1359113794.db2.gz ASVRKZPHANJVDX-VBSBHUPXSA-N 2 1 349.563 3.029 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001086530770 1359133892 /nfs/dbraw/zinc/13/38/92/1359133892.db2.gz QJGHIKDBGMCRBR-WFAGLZIHSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086711791 1359190508 /nfs/dbraw/zinc/19/05/08/1359190508.db2.gz BLXCTGUAWXREFB-ZCNNSNEGSA-N 2 1 349.563 3.316 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086907783 1359236141 /nfs/dbraw/zinc/23/61/41/1359236141.db2.gz BNYSCOREVKADKI-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC3(C[C@H]2C)CC[NH+](C(C)C)CC3)C1 ZINC001086938519 1359261108 /nfs/dbraw/zinc/26/11/08/1359261108.db2.gz SLSYEAGHGMLALQ-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC3(C[C@@H]2C)CC[NH+](C(C)C)CC3)C1 ZINC001086938517 1359261141 /nfs/dbraw/zinc/26/11/41/1359261141.db2.gz SLSYEAGHGMLALQ-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086942722 1359264001 /nfs/dbraw/zinc/26/40/01/1359264001.db2.gz YYDXXESQKRDKAO-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1CC(C)C ZINC001087602441 1359550584 /nfs/dbraw/zinc/55/05/84/1359550584.db2.gz PULUPTJMOQOSQY-IPMKNSEASA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1CC(C)C ZINC001087602441 1359550585 /nfs/dbraw/zinc/55/05/85/1359550585.db2.gz PULUPTJMOQOSQY-IPMKNSEASA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1CC(C)C ZINC001087602441 1359550588 /nfs/dbraw/zinc/55/05/88/1359550588.db2.gz PULUPTJMOQOSQY-IPMKNSEASA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1CC ZINC001087634618 1359565589 /nfs/dbraw/zinc/56/55/89/1359565589.db2.gz KSFGHFURSBWTRO-MDASCCDHSA-N 2 1 342.487 3.272 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CC1CCCCC1 ZINC001087640477 1359566803 /nfs/dbraw/zinc/56/68/03/1359566803.db2.gz FOLBCSPHNPJSKG-RBUKOAKNSA-N 2 1 347.547 3.164 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC[N@H+]1CC1CCCC1 ZINC001087749738 1359626185 /nfs/dbraw/zinc/62/61/85/1359626185.db2.gz XNZYJBIZIUHGMK-YSIASYRMSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087963691 1359720017 /nfs/dbraw/zinc/72/00/17/1359720017.db2.gz CNYFPXLSPVWROT-AABGKKOBSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087963691 1359720021 /nfs/dbraw/zinc/72/00/21/1359720021.db2.gz CNYFPXLSPVWROT-AABGKKOBSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087963691 1359720024 /nfs/dbraw/zinc/72/00/24/1359720024.db2.gz CNYFPXLSPVWROT-AABGKKOBSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001088327335 1359831208 /nfs/dbraw/zinc/83/12/08/1359831208.db2.gz LCXFVYZSNFJWAD-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001088382025 1359865206 /nfs/dbraw/zinc/86/52/06/1359865206.db2.gz SFEPSBOUOYZLMY-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001088382512 1359865512 /nfs/dbraw/zinc/86/55/12/1359865512.db2.gz CZCYEDDPZWLWNY-UYAOXDASSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001088430990 1359898320 /nfs/dbraw/zinc/89/83/20/1359898320.db2.gz DDTWJFWEJGSXMD-WOJBJXKFSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001088563394 1359974801 /nfs/dbraw/zinc/97/48/01/1359974801.db2.gz PBKGDUKOYSNCKJ-NEWSRXKRSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)[C@@H]1C ZINC001088563394 1359974805 /nfs/dbraw/zinc/97/48/05/1359974805.db2.gz PBKGDUKOYSNCKJ-NEWSRXKRSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)[C@@H]1C ZINC001088563394 1359974809 /nfs/dbraw/zinc/97/48/09/1359974809.db2.gz PBKGDUKOYSNCKJ-NEWSRXKRSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CCCC1CCCC1 ZINC001088667076 1360006889 /nfs/dbraw/zinc/00/68/89/1360006889.db2.gz WWRKKVKKKJTNCX-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CCCC1CCCC1 ZINC001088667076 1360006892 /nfs/dbraw/zinc/00/68/92/1360006892.db2.gz WWRKKVKKKJTNCX-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CCCC1CCCC1 ZINC001088667076 1360006896 /nfs/dbraw/zinc/00/68/96/1360006896.db2.gz WWRKKVKKKJTNCX-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CCCC1CCCC1 ZINC001088667076 1360006900 /nfs/dbraw/zinc/00/69/00/1360006900.db2.gz WWRKKVKKKJTNCX-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088693187 1360015655 /nfs/dbraw/zinc/01/56/55/1360015655.db2.gz ONGPSTXCAUMAOH-NEWSRXKRSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088693187 1360015658 /nfs/dbraw/zinc/01/56/58/1360015658.db2.gz ONGPSTXCAUMAOH-NEWSRXKRSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088693187 1360015664 /nfs/dbraw/zinc/01/56/64/1360015664.db2.gz ONGPSTXCAUMAOH-NEWSRXKRSA-N 2 1 349.563 3.122 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CC1CCCCCC1 ZINC001088702728 1360016036 /nfs/dbraw/zinc/01/60/36/1360016036.db2.gz GBGDZNQVEXJUSC-MJGOQNOKSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CCC1CCCCC1 ZINC001088702700 1360016397 /nfs/dbraw/zinc/01/63/97/1360016397.db2.gz DIHPUXJCJSZYBR-MJGOQNOKSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[N@H+]1CCC1CCCC1 ZINC001088768904 1360036645 /nfs/dbraw/zinc/03/66/45/1360036645.db2.gz JMWMNLLPELHJLZ-UXPWSPDFSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCC3CCCC3)[C@@H]2C)C1 ZINC001088810288 1360058847 /nfs/dbraw/zinc/05/88/47/1360058847.db2.gz UPIUOIYBAGGNAV-HOJAQTOUSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CCC3CCCC3)[C@@H]2C)C1 ZINC001088810288 1360058849 /nfs/dbraw/zinc/05/88/49/1360058849.db2.gz UPIUOIYBAGGNAV-HOJAQTOUSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CCC3CCCC3)[C@@H]2C)C1 ZINC001088810288 1360058853 /nfs/dbraw/zinc/05/88/53/1360058853.db2.gz UPIUOIYBAGGNAV-HOJAQTOUSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812291 1360059943 /nfs/dbraw/zinc/05/99/43/1360059943.db2.gz WURXYDDLNGXZTH-NZSAHSFTSA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088812291 1360059947 /nfs/dbraw/zinc/05/99/47/1360059947.db2.gz WURXYDDLNGXZTH-NZSAHSFTSA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088812291 1360059949 /nfs/dbraw/zinc/05/99/49/1360059949.db2.gz WURXYDDLNGXZTH-NZSAHSFTSA-N 2 1 335.536 3.163 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897401 1360097406 /nfs/dbraw/zinc/09/74/06/1360097406.db2.gz IECSENWGVNZHOH-HBFSDRIKSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2=CCCCC2)[C@@H]1C ZINC001088898541 1360097762 /nfs/dbraw/zinc/09/77/62/1360097762.db2.gz JTEKHRULQANUIJ-YZGWKJHDSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)[C@@H]1C ZINC001088898541 1360097765 /nfs/dbraw/zinc/09/77/65/1360097765.db2.gz JTEKHRULQANUIJ-YZGWKJHDSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)[C@@H]1C ZINC001088898541 1360097767 /nfs/dbraw/zinc/09/77/67/1360097767.db2.gz JTEKHRULQANUIJ-YZGWKJHDSA-N 2 1 347.547 3.329 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001089060908 1360152097 /nfs/dbraw/zinc/15/20/97/1360152097.db2.gz MQDAVTWNCSELEH-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H]1C ZINC001089060908 1360152098 /nfs/dbraw/zinc/15/20/98/1360152098.db2.gz MQDAVTWNCSELEH-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)[C@@H]1C ZINC001089060908 1360152103 /nfs/dbraw/zinc/15/21/03/1360152103.db2.gz MQDAVTWNCSELEH-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCC(C)C)[C@@H]2C)o1 ZINC001089070711 1360159999 /nfs/dbraw/zinc/15/99/99/1360159999.db2.gz UTZYAQZGRHNFHF-AEFFLSMTSA-N 2 1 349.519 3.360 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccsc1)C1CCC1 ZINC001089186615 1360237244 /nfs/dbraw/zinc/23/72/44/1360237244.db2.gz JLMFBLAFOQKRLO-SFHVURJKSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001089186615 1360237248 /nfs/dbraw/zinc/23/72/48/1360237248.db2.gz JLMFBLAFOQKRLO-SFHVURJKSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001089186615 1360237251 /nfs/dbraw/zinc/23/72/51/1360237251.db2.gz JLMFBLAFOQKRLO-SFHVURJKSA-N 2 1 349.544 3.045 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)CC(C)(C)C1 ZINC001089334963 1360348945 /nfs/dbraw/zinc/34/89/45/1360348945.db2.gz LSAKMKPYQDEMAP-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)CC(C)(C)C1 ZINC001089334963 1360348946 /nfs/dbraw/zinc/34/89/46/1360348946.db2.gz LSAKMKPYQDEMAP-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)CC(C)(C)C1 ZINC001089334963 1360348949 /nfs/dbraw/zinc/34/89/49/1360348949.db2.gz LSAKMKPYQDEMAP-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382495 1360384274 /nfs/dbraw/zinc/38/42/74/1360384274.db2.gz RTHNTJKKBFAZBO-MSOLQXFVSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089382495 1360384277 /nfs/dbraw/zinc/38/42/77/1360384277.db2.gz RTHNTJKKBFAZBO-MSOLQXFVSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089382495 1360384280 /nfs/dbraw/zinc/38/42/80/1360384280.db2.gz RTHNTJKKBFAZBO-MSOLQXFVSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089407278 1360406033 /nfs/dbraw/zinc/40/60/33/1360406033.db2.gz XUHYUSMVPPZDPC-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089407278 1360406035 /nfs/dbraw/zinc/40/60/35/1360406035.db2.gz XUHYUSMVPPZDPC-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089407278 1360406036 /nfs/dbraw/zinc/40/60/36/1360406036.db2.gz XUHYUSMVPPZDPC-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089428030 1360420360 /nfs/dbraw/zinc/42/03/60/1360420360.db2.gz VPSHWQAWQPTZRZ-OALUTQOASA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089428030 1360420364 /nfs/dbraw/zinc/42/03/64/1360420364.db2.gz VPSHWQAWQPTZRZ-OALUTQOASA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089428030 1360420365 /nfs/dbraw/zinc/42/03/65/1360420365.db2.gz VPSHWQAWQPTZRZ-OALUTQOASA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445394 1360434461 /nfs/dbraw/zinc/43/44/61/1360434461.db2.gz HSWKZBQFVBIQRY-RBUKOAKNSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC(C)(C)C1 ZINC001089446473 1360435579 /nfs/dbraw/zinc/43/55/79/1360435579.db2.gz WXPNJIGHJGPGMA-GOSISDBHSA-N 2 1 345.531 3.031 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@@H+](CCC3CC3)CC(C)(C)C2)CC1 ZINC001089509148 1360481061 /nfs/dbraw/zinc/48/10/61/1360481061.db2.gz FXRIZPZSKHTUEE-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089511813 1360483398 /nfs/dbraw/zinc/48/33/98/1360483398.db2.gz VVYJHCBEVDKXRQ-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089511813 1360483401 /nfs/dbraw/zinc/48/34/01/1360483401.db2.gz VVYJHCBEVDKXRQ-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089511813 1360483405 /nfs/dbraw/zinc/48/34/05/1360483405.db2.gz VVYJHCBEVDKXRQ-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC3=CCCCC3)CC(C)(C)C2)C1 ZINC001089558235 1360507249 /nfs/dbraw/zinc/50/72/49/1360507249.db2.gz GBPJNCVUDJYRPP-MOPGFXCFSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC3=CCCCC3)CC(C)(C)C2)C1 ZINC001089558235 1360507252 /nfs/dbraw/zinc/50/72/52/1360507252.db2.gz GBPJNCVUDJYRPP-MOPGFXCFSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3=CCCCC3)CC(C)(C)C2)C1 ZINC001089558235 1360507253 /nfs/dbraw/zinc/50/72/53/1360507253.db2.gz GBPJNCVUDJYRPP-MOPGFXCFSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC3CCCCC3)CC(C)(C)C2)C1 ZINC001089558583 1360507799 /nfs/dbraw/zinc/50/77/99/1360507799.db2.gz IZKHTWWVFXSZOD-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC3CCCCC3)CC(C)(C)C2)C1 ZINC001089558583 1360507801 /nfs/dbraw/zinc/50/78/01/1360507801.db2.gz IZKHTWWVFXSZOD-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCCCC3)CC(C)(C)C2)C1 ZINC001089558583 1360507804 /nfs/dbraw/zinc/50/78/04/1360507804.db2.gz IZKHTWWVFXSZOD-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC)CC(C)(C)C2)o1 ZINC001089565096 1360511346 /nfs/dbraw/zinc/51/13/46/1360511346.db2.gz MWJVJEHUZSWEAJ-MRXNPFEDSA-N 2 1 349.519 3.362 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCCCC1 ZINC001089615744 1360536453 /nfs/dbraw/zinc/53/64/53/1360536453.db2.gz BERDADAZIVNNJM-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCCCC1 ZINC001089615744 1360536454 /nfs/dbraw/zinc/53/64/54/1360536454.db2.gz BERDADAZIVNNJM-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCCCC1 ZINC001089615744 1360536456 /nfs/dbraw/zinc/53/64/56/1360536456.db2.gz BERDADAZIVNNJM-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089642077 1360555407 /nfs/dbraw/zinc/55/54/07/1360555407.db2.gz ASJZYLGTAOHKTD-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001089642077 1360555409 /nfs/dbraw/zinc/55/54/09/1360555409.db2.gz ASJZYLGTAOHKTD-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001089642077 1360555410 /nfs/dbraw/zinc/55/54/10/1360555410.db2.gz ASJZYLGTAOHKTD-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089646031 1360558213 /nfs/dbraw/zinc/55/82/13/1360558213.db2.gz HGICZMXBCRMIGG-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001089646031 1360558219 /nfs/dbraw/zinc/55/82/19/1360558219.db2.gz HGICZMXBCRMIGG-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001089646031 1360558220 /nfs/dbraw/zinc/55/82/20/1360558220.db2.gz HGICZMXBCRMIGG-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089650134 1360563406 /nfs/dbraw/zinc/56/34/06/1360563406.db2.gz VNCDKSZXFAWCDI-SJORKVTESA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089650134 1360563408 /nfs/dbraw/zinc/56/34/08/1360563408.db2.gz VNCDKSZXFAWCDI-SJORKVTESA-N 2 1 346.519 3.023 20 0 EGADMP CC1(C)CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[N@@H+](CCC2CC2)C1 ZINC001089665323 1360575973 /nfs/dbraw/zinc/57/59/73/1360575973.db2.gz VQGCKKDFAKRLMB-SFHVURJKSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089688734 1360594904 /nfs/dbraw/zinc/59/49/04/1360594904.db2.gz YNTCSKPDMFEDOZ-QGZVFWFLSA-N 2 1 349.519 3.218 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089688734 1360594906 /nfs/dbraw/zinc/59/49/06/1360594906.db2.gz YNTCSKPDMFEDOZ-QGZVFWFLSA-N 2 1 349.519 3.218 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC ZINC001089721720 1360624269 /nfs/dbraw/zinc/62/42/69/1360624269.db2.gz JSPDXVDVIZFBRX-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC ZINC001089721720 1360624273 /nfs/dbraw/zinc/62/42/73/1360624273.db2.gz JSPDXVDVIZFBRX-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC ZINC001089721720 1360624276 /nfs/dbraw/zinc/62/42/76/1360624276.db2.gz JSPDXVDVIZFBRX-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089726157 1360629109 /nfs/dbraw/zinc/62/91/09/1360629109.db2.gz NPCFJEYKWNDWLP-MRXNPFEDSA-N 2 1 346.519 3.024 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089726157 1360629112 /nfs/dbraw/zinc/62/91/12/1360629112.db2.gz NPCFJEYKWNDWLP-MRXNPFEDSA-N 2 1 346.519 3.024 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089733727 1360637306 /nfs/dbraw/zinc/63/73/06/1360637306.db2.gz AIRXPLMBVBMMGV-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001089733727 1360637313 /nfs/dbraw/zinc/63/73/13/1360637313.db2.gz AIRXPLMBVBMMGV-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001089733727 1360637316 /nfs/dbraw/zinc/63/73/16/1360637316.db2.gz AIRXPLMBVBMMGV-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089734110 1360638645 /nfs/dbraw/zinc/63/86/45/1360638645.db2.gz ITAJBEVCJMQZHW-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001089734110 1360638647 /nfs/dbraw/zinc/63/86/47/1360638647.db2.gz ITAJBEVCJMQZHW-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCC1 ZINC001089734110 1360638648 /nfs/dbraw/zinc/63/86/48/1360638648.db2.gz ITAJBEVCJMQZHW-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001091059601 1360987872 /nfs/dbraw/zinc/98/78/72/1360987872.db2.gz SCYSEHWHHRHVGM-MHJFOBGBSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCC2CC([NH2+]CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001091202163 1361005731 /nfs/dbraw/zinc/00/57/31/1361005731.db2.gz RVSSHZOHFRZWOO-VHBXLISGSA-N 2 1 347.547 3.092 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(CC)CC)C[C@@]2(C)C1 ZINC001091721278 1361191647 /nfs/dbraw/zinc/19/16/47/1361191647.db2.gz YSNVUWXDCWXIGH-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(CC)CC)C[C@@]2(C)C1 ZINC001091721278 1361191649 /nfs/dbraw/zinc/19/16/49/1361191649.db2.gz YSNVUWXDCWXIGH-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(CC)CC)C[C@@]2(C)C1 ZINC001091721278 1361191651 /nfs/dbraw/zinc/19/16/51/1361191651.db2.gz YSNVUWXDCWXIGH-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1)C1CCCCC1 ZINC001184609510 1387500168 /nfs/dbraw/zinc/50/01/68/1387500168.db2.gz OELULXSVEVVBLJ-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1C ZINC001184711940 1387517019 /nfs/dbraw/zinc/51/70/19/1387517019.db2.gz IEUCNTGHDHMRHV-VCVRMXLYSA-N 2 1 337.552 3.147 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001184808971 1387543503 /nfs/dbraw/zinc/54/35/03/1387543503.db2.gz CIFLDMRZKVMVSI-JISXSJDESA-N 2 1 346.519 3.012 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001095534026 1362163590 /nfs/dbraw/zinc/16/35/90/1362163590.db2.gz XABATMRWKGEJLH-RDGPPVDQSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001095534026 1362163592 /nfs/dbraw/zinc/16/35/92/1362163592.db2.gz XABATMRWKGEJLH-RDGPPVDQSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001095534026 1362163593 /nfs/dbraw/zinc/16/35/93/1362163593.db2.gz XABATMRWKGEJLH-RDGPPVDQSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001095668401 1362198704 /nfs/dbraw/zinc/19/87/04/1362198704.db2.gz OLYVFUJPLGZARC-XWSJACJDSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001095668401 1362198706 /nfs/dbraw/zinc/19/87/06/1362198706.db2.gz OLYVFUJPLGZARC-XWSJACJDSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001095668401 1362198707 /nfs/dbraw/zinc/19/87/07/1362198707.db2.gz OLYVFUJPLGZARC-XWSJACJDSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1)[NH+]1CCCC1 ZINC001097639382 1363086098 /nfs/dbraw/zinc/08/60/98/1363086098.db2.gz RGUMGHKASRAZCC-QRVBRYPASA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH2+][C@H](C[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1)C1CCCC1 ZINC001098826692 1363484074 /nfs/dbraw/zinc/48/40/74/1363484074.db2.gz NLODKOXSNLAYPD-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001098975125 1363549637 /nfs/dbraw/zinc/54/96/37/1363549637.db2.gz DNCQIQMXUIMFHS-ZSQQTYLHSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001098975125 1363549640 /nfs/dbraw/zinc/54/96/40/1363549640.db2.gz DNCQIQMXUIMFHS-ZSQQTYLHSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001098975125 1363549643 /nfs/dbraw/zinc/54/96/43/1363549643.db2.gz DNCQIQMXUIMFHS-ZSQQTYLHSA-N 2 1 349.563 3.434 20 0 EGADMP CCCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001098976245 1363551682 /nfs/dbraw/zinc/55/16/82/1363551682.db2.gz RMEIEXDBWUANDP-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001098976245 1363551686 /nfs/dbraw/zinc/55/16/86/1363551686.db2.gz RMEIEXDBWUANDP-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001098976245 1363551690 /nfs/dbraw/zinc/55/16/90/1363551690.db2.gz RMEIEXDBWUANDP-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCCC1CCC1)C2 ZINC001098983623 1363556019 /nfs/dbraw/zinc/55/60/19/1363556019.db2.gz MHJMPFURLYQDSU-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCCC1CCC1)C2 ZINC001098983623 1363556024 /nfs/dbraw/zinc/55/60/24/1363556024.db2.gz MHJMPFURLYQDSU-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC1CCC1)C2 ZINC001098983623 1363556028 /nfs/dbraw/zinc/55/60/28/1363556028.db2.gz MHJMPFURLYQDSU-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC1CCC1)C2 ZINC001098983623 1363556031 /nfs/dbraw/zinc/55/60/31/1363556031.db2.gz MHJMPFURLYQDSU-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC[C@H](C)F ZINC001099131301 1363643466 /nfs/dbraw/zinc/64/34/66/1363643466.db2.gz ZQECGRMTMQCZGV-JKSUJKDBSA-N 2 1 343.531 3.072 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC[C@H](C)F ZINC001099131301 1363643468 /nfs/dbraw/zinc/64/34/68/1363643468.db2.gz ZQECGRMTMQCZGV-JKSUJKDBSA-N 2 1 343.531 3.072 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC[C@H](C)F ZINC001099131301 1363643471 /nfs/dbraw/zinc/64/34/71/1363643471.db2.gz ZQECGRMTMQCZGV-JKSUJKDBSA-N 2 1 343.531 3.072 20 0 EGADMP CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001099302552 1363738771 /nfs/dbraw/zinc/73/87/71/1363738771.db2.gz BOARPZOVJUGNSB-NQIIRXRSSA-N 2 1 345.531 3.090 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001099302552 1363738775 /nfs/dbraw/zinc/73/87/75/1363738775.db2.gz BOARPZOVJUGNSB-NQIIRXRSSA-N 2 1 345.531 3.090 20 0 EGADMP CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001099302553 1363738792 /nfs/dbraw/zinc/73/87/92/1363738792.db2.gz BOARPZOVJUGNSB-RXVVDRJESA-N 2 1 345.531 3.090 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001099302553 1363738795 /nfs/dbraw/zinc/73/87/95/1363738795.db2.gz BOARPZOVJUGNSB-RXVVDRJESA-N 2 1 345.531 3.090 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC[C@H](C)F ZINC001099320360 1363748530 /nfs/dbraw/zinc/74/85/30/1363748530.db2.gz ITYCCSIYSSPHEU-DLBZAZTESA-N 2 1 343.531 3.073 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC[C@H](C)F ZINC001099320360 1363748532 /nfs/dbraw/zinc/74/85/32/1363748532.db2.gz ITYCCSIYSSPHEU-DLBZAZTESA-N 2 1 343.531 3.073 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC[C@H](C)F ZINC001099320360 1363748536 /nfs/dbraw/zinc/74/85/36/1363748536.db2.gz ITYCCSIYSSPHEU-DLBZAZTESA-N 2 1 343.531 3.073 20 0 EGADMP CC1(C)CC[C@@H](CNC(=O)C[NH+]2CCCC2)[N@@H+](CC2=CCCCC2)C1 ZINC001099339339 1363759854 /nfs/dbraw/zinc/75/98/54/1363759854.db2.gz HBCVKRZQTZMSJT-IBGZPJMESA-N 2 1 347.547 3.189 20 0 EGADMP CCCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099340316 1363760438 /nfs/dbraw/zinc/76/04/38/1363760438.db2.gz RLSAMJAWGGJGSU-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)=CC[NH2+]C1CC(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001100536069 1364150762 /nfs/dbraw/zinc/15/07/62/1364150762.db2.gz IXGZAYKMPGGLSV-UHFFFAOYSA-N 2 1 335.536 3.092 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCCC)[C@@H](C)C1 ZINC001185316008 1387680847 /nfs/dbraw/zinc/68/08/47/1387680847.db2.gz BEDMDYJAHMWGIA-RBUKOAKNSA-N 2 1 339.568 3.373 20 0 EGADMP CC(C)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312582 1364505988 /nfs/dbraw/zinc/50/59/88/1364505988.db2.gz AKYGYBMQJFXSHY-NQIIRXRSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312582 1364505990 /nfs/dbraw/zinc/50/59/90/1364505990.db2.gz AKYGYBMQJFXSHY-NQIIRXRSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312582 1364505993 /nfs/dbraw/zinc/50/59/93/1364505993.db2.gz AKYGYBMQJFXSHY-NQIIRXRSSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC3CCCC3)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101361703 1364528028 /nfs/dbraw/zinc/52/80/28/1364528028.db2.gz CFJRRYOACMPFTM-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051732 1364823244 /nfs/dbraw/zinc/82/32/44/1364823244.db2.gz JDBOPKHOXWPMSV-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102051732 1364823246 /nfs/dbraw/zinc/82/32/46/1364823246.db2.gz JDBOPKHOXWPMSV-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102051732 1364823249 /nfs/dbraw/zinc/82/32/49/1364823249.db2.gz JDBOPKHOXWPMSV-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102062028 1364829392 /nfs/dbraw/zinc/82/93/92/1364829392.db2.gz RTBSXBDHDHYOGY-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001102062028 1364829393 /nfs/dbraw/zinc/82/93/93/1364829393.db2.gz RTBSXBDHDHYOGY-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001102062028 1364829394 /nfs/dbraw/zinc/82/93/94/1364829394.db2.gz RTBSXBDHDHYOGY-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1C ZINC001102366781 1365025926 /nfs/dbraw/zinc/02/59/26/1365025926.db2.gz QFIQDDYTWOZMNH-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1C ZINC001102366781 1365025927 /nfs/dbraw/zinc/02/59/27/1365025927.db2.gz QFIQDDYTWOZMNH-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1C ZINC001102366781 1365025930 /nfs/dbraw/zinc/02/59/30/1365025930.db2.gz QFIQDDYTWOZMNH-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520433 1365097032 /nfs/dbraw/zinc/09/70/32/1365097032.db2.gz KBAFXIQAADNGES-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CCC)[C@H](C)C1 ZINC001102524691 1365099135 /nfs/dbraw/zinc/09/91/35/1365099135.db2.gz RFJQADKOMITFCJ-TYFAACHXSA-N 2 1 337.552 3.149 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CCC)[C@H](C)C1 ZINC001102524691 1365099142 /nfs/dbraw/zinc/09/91/42/1365099142.db2.gz RFJQADKOMITFCJ-TYFAACHXSA-N 2 1 337.552 3.149 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001102524691 1365099144 /nfs/dbraw/zinc/09/91/44/1365099144.db2.gz RFJQADKOMITFCJ-TYFAACHXSA-N 2 1 337.552 3.149 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001102977216 1365324524 /nfs/dbraw/zinc/32/45/24/1365324524.db2.gz RCBFISHVFKZJTK-AHSYYPKJSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001102977216 1365324528 /nfs/dbraw/zinc/32/45/28/1365324528.db2.gz RCBFISHVFKZJTK-AHSYYPKJSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001102977216 1365324531 /nfs/dbraw/zinc/32/45/31/1365324531.db2.gz RCBFISHVFKZJTK-AHSYYPKJSA-N 2 1 349.563 3.290 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103083744 1365371553 /nfs/dbraw/zinc/37/15/53/1365371553.db2.gz HOTIDBGWJSXZAE-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103087786 1365374419 /nfs/dbraw/zinc/37/44/19/1365374419.db2.gz NPZITLHIBTYWRG-YZHDCRMKSA-N 2 1 349.563 3.147 20 0 EGADMP CCCCCC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001185546835 1387745064 /nfs/dbraw/zinc/74/50/64/1387745064.db2.gz DSHUDWUTNSAKDV-RTBURBONSA-N 2 1 339.568 3.373 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103435917 1365558943 /nfs/dbraw/zinc/55/89/43/1365558943.db2.gz DIPBPQIFAJVALX-STEYPSJLSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001103435917 1365558945 /nfs/dbraw/zinc/55/89/45/1365558945.db2.gz DIPBPQIFAJVALX-STEYPSJLSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001103435917 1365558947 /nfs/dbraw/zinc/55/89/47/1365558947.db2.gz DIPBPQIFAJVALX-STEYPSJLSA-N 2 1 349.563 3.149 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001103664435 1365712542 /nfs/dbraw/zinc/71/25/42/1365712542.db2.gz BQWVKAPCXGPWLG-QWFCFKBJSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001103664435 1365712544 /nfs/dbraw/zinc/71/25/44/1365712544.db2.gz BQWVKAPCXGPWLG-QWFCFKBJSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001103664435 1365712546 /nfs/dbraw/zinc/71/25/46/1365712546.db2.gz BQWVKAPCXGPWLG-QWFCFKBJSA-N 2 1 345.531 3.164 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001103724645 1365749720 /nfs/dbraw/zinc/74/97/20/1365749720.db2.gz NJAWMQBGCPQKQH-SJLPKXTDSA-N 2 1 348.535 3.092 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001103724645 1365749722 /nfs/dbraw/zinc/74/97/22/1365749722.db2.gz NJAWMQBGCPQKQH-SJLPKXTDSA-N 2 1 348.535 3.092 20 0 EGADMP CCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104185486 1365941316 /nfs/dbraw/zinc/94/13/16/1365941316.db2.gz FSFJDGNREIAVDK-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001104213558 1365954473 /nfs/dbraw/zinc/95/44/73/1365954473.db2.gz DTFUHUPHYSIWJF-KZNAEPCWSA-N 2 1 348.535 3.271 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001185682572 1387777068 /nfs/dbraw/zinc/77/70/68/1387777068.db2.gz QTZFLEQBXOGYAY-XZJTZLQGSA-N 2 1 346.519 3.012 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]CC1CCCCC1 ZINC001104354844 1365983592 /nfs/dbraw/zinc/98/35/92/1365983592.db2.gz BSYMFKHSXDHXLH-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]CC1CCCCC1 ZINC001104354843 1365983892 /nfs/dbraw/zinc/98/38/92/1365983892.db2.gz BSYMFKHSXDHXLH-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)C)C1 ZINC001104932927 1366229616 /nfs/dbraw/zinc/22/96/16/1366229616.db2.gz VXRKJRGSSIOOIS-RTBURBONSA-N 2 1 339.568 3.229 20 0 EGADMP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105064503 1366302408 /nfs/dbraw/zinc/30/24/08/1366302408.db2.gz SAYSHKYPDOMIAZ-FAPWYTRCSA-N 2 1 337.552 3.147 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105518020 1366505108 /nfs/dbraw/zinc/50/51/08/1366505108.db2.gz PBBOXRFRNAAFTJ-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105518301 1366505195 /nfs/dbraw/zinc/50/51/95/1366505195.db2.gz WFBWLPRLCSJKND-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001105541455 1366520141 /nfs/dbraw/zinc/52/01/41/1366520141.db2.gz ALUZOKONXKWIPC-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC001105556413 1366529482 /nfs/dbraw/zinc/52/94/82/1366529482.db2.gz FLXOLVYNGNHUEV-FHWLQOOXSA-N 2 1 349.563 3.266 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106111714 1366612305 /nfs/dbraw/zinc/61/23/05/1366612305.db2.gz PYCCWRXHMGZWTO-ODWICZQRSA-N 2 1 349.563 3.290 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@@H](C[NH2+]CCC(C)C)[C@H](C)C1 ZINC001106151416 1366614743 /nfs/dbraw/zinc/61/47/43/1366614743.db2.gz RLNHFBNXBABLOX-FGTMMUONSA-N 2 1 348.535 3.127 20 0 EGADMP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249588 1366633849 /nfs/dbraw/zinc/63/38/49/1366633849.db2.gz LLPHBQXANNJPHK-GGPKGHCWSA-N 2 1 349.563 3.124 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001106357954 1366668401 /nfs/dbraw/zinc/66/84/01/1366668401.db2.gz QQIGAXWNEDECDF-VJQBDMSCSA-N 2 1 349.563 3.147 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106667954 1366769243 /nfs/dbraw/zinc/76/92/43/1366769243.db2.gz DOYKVSNBGFCICZ-YZBXUTEPSA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001106729743 1366782898 /nfs/dbraw/zinc/78/28/98/1366782898.db2.gz XNLJQEABENDMCH-JCHUFIKGSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107435932 1366962780 /nfs/dbraw/zinc/96/27/80/1366962780.db2.gz GDYDWHOMVWVSRO-SFHLNBCPSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107435932 1366962781 /nfs/dbraw/zinc/96/27/81/1366962781.db2.gz GDYDWHOMVWVSRO-SFHLNBCPSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001107435932 1366962784 /nfs/dbraw/zinc/96/27/84/1366962784.db2.gz GDYDWHOMVWVSRO-SFHLNBCPSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439331 1366963813 /nfs/dbraw/zinc/96/38/13/1366963813.db2.gz WEFLKZQUALOGBS-SVFBPWRDSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCC(C)(C)C)CC3)C1 ZINC001107546723 1367037287 /nfs/dbraw/zinc/03/72/87/1367037287.db2.gz MVUZBNMKEQUWNA-WAOWUJCRSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCC(C)(C)C)CC3)C1 ZINC001107546723 1367037294 /nfs/dbraw/zinc/03/72/94/1367037294.db2.gz MVUZBNMKEQUWNA-WAOWUJCRSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCC(C)(C)C)CC3)C1 ZINC001107546723 1367037299 /nfs/dbraw/zinc/03/72/99/1367037299.db2.gz MVUZBNMKEQUWNA-WAOWUJCRSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107547853 1367037428 /nfs/dbraw/zinc/03/74/28/1367037428.db2.gz YZVOGPNKOQNKQN-SFHLNBCPSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107547853 1367037433 /nfs/dbraw/zinc/03/74/33/1367037433.db2.gz YZVOGPNKOQNKQN-SFHLNBCPSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107547853 1367037439 /nfs/dbraw/zinc/03/74/39/1367037439.db2.gz YZVOGPNKOQNKQN-SFHLNBCPSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107552908 1367039413 /nfs/dbraw/zinc/03/94/13/1367039413.db2.gz XNYOVSYQKQYOAS-WIYYLYMNSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107552908 1367039417 /nfs/dbraw/zinc/03/94/17/1367039417.db2.gz XNYOVSYQKQYOAS-WIYYLYMNSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107552908 1367039421 /nfs/dbraw/zinc/03/94/21/1367039421.db2.gz XNYOVSYQKQYOAS-WIYYLYMNSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107582991 1367057314 /nfs/dbraw/zinc/05/73/14/1367057314.db2.gz JOGUVOINRMUXSH-PORCLINASA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107587651 1367059103 /nfs/dbraw/zinc/05/91/03/1367059103.db2.gz UCUCSWIUFNNNQO-TZIWHRDSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](C[C@H](C)CC)CC2 ZINC001107616237 1367074954 /nfs/dbraw/zinc/07/49/54/1367074954.db2.gz ZDAUELXSEPNPNC-QWFCFKBJSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](C)CC)CC2 ZINC001107616237 1367074959 /nfs/dbraw/zinc/07/49/59/1367074959.db2.gz ZDAUELXSEPNPNC-QWFCFKBJSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@H](C)CC)CC2 ZINC001107616237 1367074964 /nfs/dbraw/zinc/07/49/64/1367074964.db2.gz ZDAUELXSEPNPNC-QWFCFKBJSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109443006 1367123380 /nfs/dbraw/zinc/12/33/80/1367123380.db2.gz RFYXKMJARXALNI-QYZOEREBSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109443198 1367123554 /nfs/dbraw/zinc/12/35/54/1367123554.db2.gz YKDKMJIQWKZCEW-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@](C)(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001324962400 1387857509 /nfs/dbraw/zinc/85/75/09/1387857509.db2.gz ZUAJGOVTWMHECS-NRFANRHFSA-N 2 1 345.531 3.033 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109652691 1367265280 /nfs/dbraw/zinc/26/52/80/1367265280.db2.gz FKKGVYWYDYQMRB-HNJRGHQBSA-N 2 1 343.515 3.119 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798594 1367328620 /nfs/dbraw/zinc/32/86/20/1367328620.db2.gz JUDIOELLUJHNLX-FUMNGEBKSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001109798594 1367328624 /nfs/dbraw/zinc/32/86/24/1367328624.db2.gz JUDIOELLUJHNLX-FUMNGEBKSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001109798594 1367328630 /nfs/dbraw/zinc/32/86/30/1367328630.db2.gz JUDIOELLUJHNLX-FUMNGEBKSA-N 2 1 349.563 3.407 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CC2CCC(C)CC2)C1 ZINC001191029666 1367405004 /nfs/dbraw/zinc/40/50/04/1367405004.db2.gz LEQLKWNSJMMKFL-DAWZGUTISA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)cc2C)C1 ZINC001191031146 1367406243 /nfs/dbraw/zinc/40/62/43/1367406243.db2.gz XHTJHMIYFKWUJD-IBGZPJMESA-N 2 1 345.531 3.066 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2C)C1 ZINC001191031146 1367406244 /nfs/dbraw/zinc/40/62/44/1367406244.db2.gz XHTJHMIYFKWUJD-IBGZPJMESA-N 2 1 345.531 3.066 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162217 1367436620 /nfs/dbraw/zinc/43/66/20/1367436620.db2.gz NAIWUUQHBGPZGM-DUMMIQTOSA-N 2 1 340.471 3.227 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191507042 1367517559 /nfs/dbraw/zinc/51/75/59/1367517559.db2.gz GVFINDSZGZDFMH-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153621 1367527753 /nfs/dbraw/zinc/52/77/53/1367527753.db2.gz DHFYNGRSQNCMEW-GUDQURTESA-N 2 1 347.547 3.330 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CC[C@H]([N@@H+](C)CCC(C)(C)C)C2)CCCC1 ZINC001191561500 1367528786 /nfs/dbraw/zinc/52/87/86/1367528786.db2.gz PDPURIAKJKKBBA-KRWDZBQOSA-N 2 1 337.552 3.220 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@H+](C)C(C)C)C3)c1 ZINC001110157487 1367529743 /nfs/dbraw/zinc/52/97/43/1367529743.db2.gz REXOAOIRQGQISN-LMCOJAPRSA-N 2 1 343.515 3.118 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)C3)c1 ZINC001110157487 1367529746 /nfs/dbraw/zinc/52/97/46/1367529746.db2.gz REXOAOIRQGQISN-LMCOJAPRSA-N 2 1 343.515 3.118 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)C3)c1 ZINC001110157487 1367529748 /nfs/dbraw/zinc/52/97/48/1367529748.db2.gz REXOAOIRQGQISN-LMCOJAPRSA-N 2 1 343.515 3.118 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161410 1367534629 /nfs/dbraw/zinc/53/46/29/1367534629.db2.gz DJBSZMXBFCDJGD-FYQPLNBISA-N 2 1 349.563 3.409 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001108717155 1367553979 /nfs/dbraw/zinc/55/39/79/1367553979.db2.gz BQGLMMWDCAPXSB-YHROWNBBSA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CCC)C2 ZINC001108803681 1367606143 /nfs/dbraw/zinc/60/61/43/1367606143.db2.gz FVQZEIMZUCZSGX-PCUMXMLJSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192016960 1367665534 /nfs/dbraw/zinc/66/55/34/1367665534.db2.gz KLWNNAGIUGZKCL-MOPGFXCFSA-N 2 1 343.515 3.012 20 0 EGADMP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001110578599 1367845539 /nfs/dbraw/zinc/84/55/39/1367845539.db2.gz OQDLLRFGHSFOLM-TVFCKZIOSA-N 2 1 346.519 3.308 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001110578599 1367845542 /nfs/dbraw/zinc/84/55/42/1367845542.db2.gz OQDLLRFGHSFOLM-TVFCKZIOSA-N 2 1 346.519 3.308 20 0 EGADMP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192866119 1367892424 /nfs/dbraw/zinc/89/24/24/1367892424.db2.gz IMCDHIHSLDPYJW-OVKVCFKUSA-N 2 1 346.519 3.251 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192866119 1367892425 /nfs/dbraw/zinc/89/24/25/1367892425.db2.gz IMCDHIHSLDPYJW-OVKVCFKUSA-N 2 1 346.519 3.251 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193279989 1367987565 /nfs/dbraw/zinc/98/75/65/1367987565.db2.gz SDUURUBPXONGRI-RTBURBONSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193279989 1367987571 /nfs/dbraw/zinc/98/75/71/1367987571.db2.gz SDUURUBPXONGRI-RTBURBONSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193279989 1367987577 /nfs/dbraw/zinc/98/75/77/1367987577.db2.gz SDUURUBPXONGRI-RTBURBONSA-N 2 1 349.494 3.151 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC=C(C)C)C1 ZINC001193383696 1368016909 /nfs/dbraw/zinc/01/69/09/1368016909.db2.gz WRONVQVBDSEFTE-OALUTQOASA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC=C(C)C)C1 ZINC001193383696 1368016913 /nfs/dbraw/zinc/01/69/13/1368016913.db2.gz WRONVQVBDSEFTE-OALUTQOASA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001193383696 1368016920 /nfs/dbraw/zinc/01/69/20/1368016920.db2.gz WRONVQVBDSEFTE-OALUTQOASA-N 2 1 335.536 3.140 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](C)CC)C1 ZINC001193423930 1368027493 /nfs/dbraw/zinc/02/74/93/1368027493.db2.gz HVSAIDKHSYZQQN-RBUKOAKNSA-N 2 1 339.568 3.467 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857634 1368037524 /nfs/dbraw/zinc/03/75/24/1368037524.db2.gz LISVZEJCRWQLJA-KURKYZTESA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558965 1368061207 /nfs/dbraw/zinc/06/12/07/1368061207.db2.gz FVWLLIXCRXLSJD-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@H](CC)c2ccccc2)C1 ZINC001193609483 1368072822 /nfs/dbraw/zinc/07/28/22/1368072822.db2.gz BJHZZNLUOWCVFN-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@H](CC)c2ccccc2)C1 ZINC001193609483 1368072824 /nfs/dbraw/zinc/07/28/24/1368072824.db2.gz BJHZZNLUOWCVFN-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](CC)c2ccccc2)C1 ZINC001193609483 1368072825 /nfs/dbraw/zinc/07/28/25/1368072825.db2.gz BJHZZNLUOWCVFN-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001193610458 1368072924 /nfs/dbraw/zinc/07/29/24/1368072924.db2.gz PHYXYTPLDWPAOR-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001193610458 1368072926 /nfs/dbraw/zinc/07/29/26/1368072926.db2.gz PHYXYTPLDWPAOR-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001193610458 1368072935 /nfs/dbraw/zinc/07/29/35/1368072935.db2.gz PHYXYTPLDWPAOR-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1)[NH+](CC)CC ZINC001111017908 1368143595 /nfs/dbraw/zinc/14/35/95/1368143595.db2.gz GHSLBHHGOJRZIZ-YRXWBPOGSA-N 2 1 349.563 3.265 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001111018450 1368143903 /nfs/dbraw/zinc/14/39/03/1368143903.db2.gz VJRDJWHQJJKHMR-MKXGPGLRSA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)[NH+](CC)CC ZINC001111018266 1368144466 /nfs/dbraw/zinc/14/44/66/1368144466.db2.gz OOQMGPSCDOHQDI-MKXGPGLRSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111024992 1368145014 /nfs/dbraw/zinc/14/50/14/1368145014.db2.gz GJGSPLBGQGRXQR-KURKYZTESA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001111024992 1368145019 /nfs/dbraw/zinc/14/50/19/1368145019.db2.gz GJGSPLBGQGRXQR-KURKYZTESA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001111024992 1368145024 /nfs/dbraw/zinc/14/50/24/1368145024.db2.gz GJGSPLBGQGRXQR-KURKYZTESA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1)CC(C)(C)C ZINC001111030843 1368147229 /nfs/dbraw/zinc/14/72/29/1368147229.db2.gz GUKCLEJZDQBARW-QRVBRYPASA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1)CC(C)(C)C ZINC001111030843 1368147234 /nfs/dbraw/zinc/14/72/34/1368147234.db2.gz GUKCLEJZDQBARW-QRVBRYPASA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1)CC(C)(C)C ZINC001111030843 1368147239 /nfs/dbraw/zinc/14/72/39/1368147239.db2.gz GUKCLEJZDQBARW-QRVBRYPASA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111230153 1368206024 /nfs/dbraw/zinc/20/60/24/1368206024.db2.gz IAPHLWGRDPWJLH-ZRNYENFQSA-N 2 1 343.515 3.201 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001111230153 1368206030 /nfs/dbraw/zinc/20/60/30/1368206030.db2.gz IAPHLWGRDPWJLH-ZRNYENFQSA-N 2 1 343.515 3.201 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111230153 1368206032 /nfs/dbraw/zinc/20/60/32/1368206032.db2.gz IAPHLWGRDPWJLH-ZRNYENFQSA-N 2 1 343.515 3.201 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227912 1368213400 /nfs/dbraw/zinc/21/34/00/1368213400.db2.gz OHIAUPLQJLTXTI-YJJPMGAVSA-N 2 1 343.515 3.251 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194273807 1368220694 /nfs/dbraw/zinc/22/06/94/1368220694.db2.gz BDWYTUZEXPTHCT-KGMDJONISA-N 2 1 349.563 3.386 20 0 EGADMP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274226 1368221796 /nfs/dbraw/zinc/22/17/96/1368221796.db2.gz GCGVKPJXHQXLLA-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274226 1368221803 /nfs/dbraw/zinc/22/18/03/1368221803.db2.gz GCGVKPJXHQXLLA-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275720 1368222789 /nfs/dbraw/zinc/22/27/89/1368222789.db2.gz XMJAKSMETXHZGS-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC2CCC(C)(C)CC2)C1 ZINC001194286178 1368224776 /nfs/dbraw/zinc/22/47/76/1368224776.db2.gz WJYRGWUPZWIGFX-SFHVURJKSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CC2CCC(C)(C)CC2)C1 ZINC001194286178 1368224779 /nfs/dbraw/zinc/22/47/79/1368224779.db2.gz WJYRGWUPZWIGFX-SFHVURJKSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CC2CCC(C)(C)CC2)C1 ZINC001194286178 1368224781 /nfs/dbraw/zinc/22/47/81/1368224781.db2.gz WJYRGWUPZWIGFX-SFHVURJKSA-N 2 1 337.552 3.076 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+](C)[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001194293775 1368225134 /nfs/dbraw/zinc/22/51/34/1368225134.db2.gz JAAMSMWVPYQCDK-RBUKOAKNSA-N 2 1 345.531 3.237 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001194293775 1368225144 /nfs/dbraw/zinc/22/51/44/1368225144.db2.gz JAAMSMWVPYQCDK-RBUKOAKNSA-N 2 1 345.531 3.237 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+](C)[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001194293775 1368225146 /nfs/dbraw/zinc/22/51/46/1368225146.db2.gz JAAMSMWVPYQCDK-RBUKOAKNSA-N 2 1 345.531 3.237 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CCC2CCCCCC2)C1 ZINC001194296086 1368225692 /nfs/dbraw/zinc/22/56/92/1368225692.db2.gz VSDHCYWLVYFKEI-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CCC2CCCCCC2)C1 ZINC001194296086 1368225695 /nfs/dbraw/zinc/22/56/95/1368225695.db2.gz VSDHCYWLVYFKEI-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCCCC2)C1 ZINC001194296086 1368225705 /nfs/dbraw/zinc/22/57/05/1368225705.db2.gz VSDHCYWLVYFKEI-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP C[N@@H+](CC1CCCCC1)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429100 1368258953 /nfs/dbraw/zinc/25/89/53/1368258953.db2.gz FGGHZXZTSINNPJ-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)C1 ZINC001195334903 1368422568 /nfs/dbraw/zinc/42/25/68/1368422568.db2.gz YLROJKSVDUNTHZ-CZAYHTPWSA-N 2 1 341.543 3.171 20 0 EGADMP C[NH+](C)C1(CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCC2CC2)C3)CCCC1 ZINC001111820907 1368482331 /nfs/dbraw/zinc/48/23/31/1368482331.db2.gz ALQFVYSHXKTXJI-RXVVDRJESA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001195865429 1368506364 /nfs/dbraw/zinc/50/63/64/1368506364.db2.gz KFEOIBMVVKQZTR-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001195865429 1368506369 /nfs/dbraw/zinc/50/63/69/1368506369.db2.gz KFEOIBMVVKQZTR-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001195865429 1368506373 /nfs/dbraw/zinc/50/63/73/1368506373.db2.gz KFEOIBMVVKQZTR-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001111870591 1368518642 /nfs/dbraw/zinc/51/86/42/1368518642.db2.gz FKWNEXMHIHNJSH-NGVHCFEESA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001111870591 1368518645 /nfs/dbraw/zinc/51/86/45/1368518645.db2.gz FKWNEXMHIHNJSH-NGVHCFEESA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001111870591 1368518649 /nfs/dbraw/zinc/51/86/49/1368518649.db2.gz FKWNEXMHIHNJSH-NGVHCFEESA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001196060560 1368542652 /nfs/dbraw/zinc/54/26/52/1368542652.db2.gz ZNQWFOOBJWIHLO-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001196060560 1368542655 /nfs/dbraw/zinc/54/26/55/1368542655.db2.gz ZNQWFOOBJWIHLO-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001196060560 1368542657 /nfs/dbraw/zinc/54/26/57/1368542657.db2.gz ZNQWFOOBJWIHLO-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CC1CC(C[N@H+]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)CC2)C1 ZINC001196642064 1368654348 /nfs/dbraw/zinc/65/43/48/1368654348.db2.gz YPCWEYHGIFFYTA-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)c2occc2CN(C)C)CC1 ZINC001196934239 1368715631 /nfs/dbraw/zinc/71/56/31/1368715631.db2.gz ALWPTSCRUUIWFY-VOTSOKGWSA-N 2 1 347.503 3.236 20 0 EGADMP CCC/C=C/CC[N@@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001196934239 1368715634 /nfs/dbraw/zinc/71/56/34/1368715634.db2.gz ALWPTSCRUUIWFY-VOTSOKGWSA-N 2 1 347.503 3.236 20 0 EGADMP CC[C@H](C(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1)[NH+](CC)CC ZINC001197141067 1368753417 /nfs/dbraw/zinc/75/34/17/1368753417.db2.gz AAZRQWYMLGSQIM-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CC[C@@H](C(=O)N1CCC[N@H+]([C@@H](C)c2ccccc2)CC1)[NH+](CC)CC ZINC001197141590 1368753736 /nfs/dbraw/zinc/75/37/36/1368753736.db2.gz JUADPFRHWAYDMR-ICSRJNTNSA-N 2 1 345.531 3.402 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)CCn2ccnc2C(C)C)CC1 ZINC001197323419 1368787454 /nfs/dbraw/zinc/78/74/54/1368787454.db2.gz HTQKFNBYNZDMHG-WAYWQWQTSA-N 2 1 346.519 3.287 20 0 EGADMP CC/C=C\CC[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001197323419 1368787457 /nfs/dbraw/zinc/78/74/57/1368787457.db2.gz HTQKFNBYNZDMHG-WAYWQWQTSA-N 2 1 346.519 3.287 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001197323419 1368787459 /nfs/dbraw/zinc/78/74/59/1368787459.db2.gz HTQKFNBYNZDMHG-WAYWQWQTSA-N 2 1 346.519 3.287 20 0 EGADMP CC(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001112410825 1368830438 /nfs/dbraw/zinc/83/04/38/1368830438.db2.gz QZDXXWQGZSMREH-ZVDOUQERSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2cccc(CC)c2)CC1 ZINC001197907486 1368922706 /nfs/dbraw/zinc/92/27/06/1368922706.db2.gz FWSMUEBGLZULHH-UHFFFAOYSA-N 2 1 345.531 3.015 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258808 1368991985 /nfs/dbraw/zinc/99/19/85/1368991985.db2.gz GQLJWZALCRCVAJ-HCZHMGAMSA-N 2 1 349.563 3.388 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001325458227 1387979638 /nfs/dbraw/zinc/97/96/38/1387979638.db2.gz VKIRNSAGCQQLSK-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001112965056 1369112082 /nfs/dbraw/zinc/11/20/82/1369112082.db2.gz DHNAFDHRCBBHHF-FBQMEGEOSA-N 2 1 347.547 3.284 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001112965056 1369112088 /nfs/dbraw/zinc/11/20/88/1369112088.db2.gz DHNAFDHRCBBHHF-FBQMEGEOSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+](CC3CC3)CC2)CC1 ZINC001186604917 1387983856 /nfs/dbraw/zinc/98/38/56/1387983856.db2.gz IFDHVPAYBXGUDH-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@H+](CC3CC3)CC2)CC1 ZINC001186604917 1387983859 /nfs/dbraw/zinc/98/38/59/1387983859.db2.gz IFDHVPAYBXGUDH-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC001186604917 1387983861 /nfs/dbraw/zinc/98/38/61/1387983861.db2.gz IFDHVPAYBXGUDH-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CC(=O)N1CC[NH+](CC2CCCCCC2)CC1)CC(C)(C)C ZINC001113352878 1369364797 /nfs/dbraw/zinc/36/47/97/1369364797.db2.gz BARUCCRLDYBAMH-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+]Cc2cc(C)ccc2C)CC1 ZINC001201321520 1369519270 /nfs/dbraw/zinc/51/92/70/1369519270.db2.gz OKBQCOTVHIAJES-UHFFFAOYSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)(C)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001201436000 1369544881 /nfs/dbraw/zinc/54/48/81/1369544881.db2.gz PYDHSIMXGNZLLM-QYZOEREBSA-N 2 1 330.520 3.104 20 0 EGADMP CC(C)(C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001201436000 1369544883 /nfs/dbraw/zinc/54/48/83/1369544883.db2.gz PYDHSIMXGNZLLM-QYZOEREBSA-N 2 1 330.520 3.104 20 0 EGADMP CC(C)(C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001201436000 1369544885 /nfs/dbraw/zinc/54/48/85/1369544885.db2.gz PYDHSIMXGNZLLM-QYZOEREBSA-N 2 1 330.520 3.104 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001325605990 1388009962 /nfs/dbraw/zinc/00/99/62/1388009962.db2.gz ILLRBDGEHIHWED-MJUUVYJYSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1N(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001325605990 1388009964 /nfs/dbraw/zinc/00/99/64/1388009964.db2.gz ILLRBDGEHIHWED-MJUUVYJYSA-N 2 1 329.532 3.359 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001201508517 1369560472 /nfs/dbraw/zinc/56/04/72/1369560472.db2.gz GEGTUXQSVVGWGY-LMCOJAPRSA-N 2 1 330.520 3.104 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001201508517 1369560475 /nfs/dbraw/zinc/56/04/75/1369560475.db2.gz GEGTUXQSVVGWGY-LMCOJAPRSA-N 2 1 330.520 3.104 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001201508517 1369560478 /nfs/dbraw/zinc/56/04/78/1369560478.db2.gz GEGTUXQSVVGWGY-LMCOJAPRSA-N 2 1 330.520 3.104 20 0 EGADMP CCC[C@@H](C)C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001201549774 1369572813 /nfs/dbraw/zinc/57/28/13/1369572813.db2.gz CIKCMVUZJXCTBU-LJQANCHMSA-N 2 1 345.531 3.432 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC([NH2+]CC2CCCC2)CC1)C1CCCCC1 ZINC001201818589 1369628536 /nfs/dbraw/zinc/62/85/36/1369628536.db2.gz QYMXKHNPAFHYRS-UHFFFAOYSA-N 2 1 349.563 3.412 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CCC([NH2+]CCCC3CCCC3)CC2)C1 ZINC001202518096 1369796895 /nfs/dbraw/zinc/79/68/95/1369796895.db2.gz MAJNFVPBNVVVSB-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001202539153 1369802766 /nfs/dbraw/zinc/80/27/66/1369802766.db2.gz KOZURBSWXUKMBN-KRWDZBQOSA-N 2 1 339.568 3.227 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001202872598 1369914285 /nfs/dbraw/zinc/91/42/85/1369914285.db2.gz IUPDAKUOFZFRHO-RBUKOAKNSA-N 2 1 335.536 3.164 20 0 EGADMP CCC(CC)C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001202872522 1369914330 /nfs/dbraw/zinc/91/43/30/1369914330.db2.gz HGBSIYUHDIFCEJ-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CC2CC2)C12CCC2 ZINC001203100935 1369983080 /nfs/dbraw/zinc/98/30/80/1369983080.db2.gz BVUODTUCTPNMRC-ROUUACIJSA-N 2 1 347.547 3.066 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203100881 1369983340 /nfs/dbraw/zinc/98/33/40/1369983340.db2.gz BCZZQYLDDPBMIJ-ZWKOTPCHSA-N 2 1 347.547 3.234 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2CCCC2)C1)c1ccccc1 ZINC001187034618 1388043296 /nfs/dbraw/zinc/04/32/96/1388043296.db2.gz KCKNXLXWQWMBFV-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203167220 1370007263 /nfs/dbraw/zinc/00/72/63/1370007263.db2.gz DNYYLISKPRDAKQ-IAGOWNOFSA-N 2 1 346.519 3.035 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001203202872 1370023339 /nfs/dbraw/zinc/02/33/39/1370023339.db2.gz CFUJBLLRSYYCOM-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CCc1nc(C)c(CN(CC)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC001203246335 1370038276 /nfs/dbraw/zinc/03/82/76/1370038276.db2.gz FONMYPDKWOMDPW-GOSISDBHSA-N 2 1 326.488 3.377 20 0 EGADMP CCc1[nH]c(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)[nH+]1 ZINC001203248425 1370038916 /nfs/dbraw/zinc/03/89/16/1370038916.db2.gz SGURZZIHUUSPPS-OALUTQOASA-N 2 1 338.499 3.234 20 0 EGADMP CCc1[nH]c(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(C)[nH+]1 ZINC001203248425 1370038920 /nfs/dbraw/zinc/03/89/20/1370038920.db2.gz SGURZZIHUUSPPS-OALUTQOASA-N 2 1 338.499 3.234 20 0 EGADMP CCCC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001203312189 1370077349 /nfs/dbraw/zinc/07/73/49/1370077349.db2.gz ALAVUILSDPDDRJ-LJQANCHMSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001203443495 1370128824 /nfs/dbraw/zinc/12/88/24/1370128824.db2.gz UWAVXTQMSPCFNY-INIZCTEOSA-N 2 1 349.494 3.199 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(C)C)C12CCC2 ZINC001203506312 1370148290 /nfs/dbraw/zinc/14/82/90/1370148290.db2.gz IPSRJVGPUZLCRT-QZTJIDSGSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203629935 1370193074 /nfs/dbraw/zinc/19/30/74/1370193074.db2.gz DVXBYMNWVIGYJG-RBUKOAKNSA-N 2 1 347.547 3.236 20 0 EGADMP COc1ccc(Oc2cccc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)c2)cc1 ZINC001203819350 1370277341 /nfs/dbraw/zinc/27/73/41/1370277341.db2.gz YYNBJBCTELQSHH-HDICACEKSA-N 2 1 338.451 3.481 20 0 EGADMP COc1ccc(Oc2cccc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)c2)cc1 ZINC001203819350 1370277343 /nfs/dbraw/zinc/27/73/43/1370277343.db2.gz YYNBJBCTELQSHH-HDICACEKSA-N 2 1 338.451 3.481 20 0 EGADMP COc1ccc(Oc2cccc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)c2)cc1 ZINC001203819350 1370277348 /nfs/dbraw/zinc/27/73/48/1370277348.db2.gz YYNBJBCTELQSHH-HDICACEKSA-N 2 1 338.451 3.481 20 0 EGADMP COc1ccc(Oc2cccc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)c2)cc1 ZINC001203819350 1370277350 /nfs/dbraw/zinc/27/73/50/1370277350.db2.gz YYNBJBCTELQSHH-HDICACEKSA-N 2 1 338.451 3.481 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001203903793 1370307851 /nfs/dbraw/zinc/30/78/51/1370307851.db2.gz NQRAEQLBCGKAAQ-LIXSYLKWSA-N 2 1 335.536 3.188 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCCCO3)cc1 ZINC001204263522 1370426081 /nfs/dbraw/zinc/42/60/81/1370426081.db2.gz MPBXETVPUSJQSD-HXUWFJFHSA-N 2 1 332.488 3.162 20 0 EGADMP CC[N@@H+](Cc1ccncc1)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204263807 1370426398 /nfs/dbraw/zinc/42/63/98/1370426398.db2.gz DPUPCKQSSODACE-UHFFFAOYSA-N 2 1 327.472 3.434 20 0 EGADMP Cn1cncc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001204385458 1370462892 /nfs/dbraw/zinc/46/28/92/1370462892.db2.gz KFZTVAVMDZHIKK-ZYSHUDEJSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cncc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001204385458 1370462898 /nfs/dbraw/zinc/46/28/98/1370462898.db2.gz KFZTVAVMDZHIKK-ZYSHUDEJSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cncc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001204385458 1370462902 /nfs/dbraw/zinc/46/29/02/1370462902.db2.gz KFZTVAVMDZHIKK-ZYSHUDEJSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cncc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001204385458 1370462907 /nfs/dbraw/zinc/46/29/07/1370462907.db2.gz KFZTVAVMDZHIKK-ZYSHUDEJSA-N 2 1 344.528 3.214 20 0 EGADMP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115535490 1370531932 /nfs/dbraw/zinc/53/19/32/1370531932.db2.gz YAPLOYGIMOWHNU-SJORKVTESA-N 2 1 341.515 3.016 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536756 1370533327 /nfs/dbraw/zinc/53/33/27/1370533327.db2.gz GOBZFDKEWJJACE-MOPGFXCFSA-N 2 1 349.563 3.316 20 0 EGADMP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCCC1 ZINC001115545206 1370541777 /nfs/dbraw/zinc/54/17/77/1370541777.db2.gz WYDBWDXOHMDOEV-OKZBNKHCSA-N 2 1 337.552 3.172 20 0 EGADMP [NH3+]CC[C@H]1C[N@H+](Cc2ccccc2-c2ccc(F)cc2F)CCO1 ZINC001204756034 1370567589 /nfs/dbraw/zinc/56/75/89/1370567589.db2.gz KBACBBQBZBRGDS-INIZCTEOSA-N 2 1 332.394 3.181 20 0 EGADMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccccc2-c2ccc(F)cc2F)CCO1 ZINC001204756034 1370567592 /nfs/dbraw/zinc/56/75/92/1370567592.db2.gz KBACBBQBZBRGDS-INIZCTEOSA-N 2 1 332.394 3.181 20 0 EGADMP Cc1cccc(C[N@@H+]2CCO[C@@H](CC[NH3+])C2)c1OCc1ccccc1 ZINC001204756060 1370568148 /nfs/dbraw/zinc/56/81/48/1370568148.db2.gz KPDOBIOPOMEAOJ-FQEVSTJZSA-N 2 1 340.467 3.124 20 0 EGADMP Cc1cccc(C[N@H+]2CCO[C@@H](CC[NH3+])C2)c1OCc1ccccc1 ZINC001204756060 1370568153 /nfs/dbraw/zinc/56/81/53/1370568153.db2.gz KPDOBIOPOMEAOJ-FQEVSTJZSA-N 2 1 340.467 3.124 20 0 EGADMP Cc1cccc(N(C)c2ccc(C[N@@H+]3CCO[C@@H](CC[NH3+])C3)cc2)c1 ZINC001204757525 1370568356 /nfs/dbraw/zinc/56/83/56/1370568356.db2.gz ZDVRJVPIINZGGG-NRFANRHFSA-N 2 1 339.483 3.313 20 0 EGADMP Cc1cccc(N(C)c2ccc(C[N@H+]3CCO[C@@H](CC[NH3+])C3)cc2)c1 ZINC001204757525 1370568358 /nfs/dbraw/zinc/56/83/58/1370568358.db2.gz ZDVRJVPIINZGGG-NRFANRHFSA-N 2 1 339.483 3.313 20 0 EGADMP CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCCCC1 ZINC001115573004 1370575348 /nfs/dbraw/zinc/57/53/48/1370575348.db2.gz CTNNQTQSKQBDMA-GOSISDBHSA-N 2 1 335.536 3.212 20 0 EGADMP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001115591906 1370593079 /nfs/dbraw/zinc/59/30/79/1370593079.db2.gz KKJHYZQZBWWPJT-OALUTQOASA-N 2 1 347.547 3.212 20 0 EGADMP CC/C=C/CC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)CC)CCCCC1 ZINC001115601539 1370601261 /nfs/dbraw/zinc/60/12/61/1370601261.db2.gz GCATVIZEJSMDCJ-CMDGGOBGSA-N 2 1 337.552 3.482 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115630275 1370624025 /nfs/dbraw/zinc/62/40/25/1370624025.db2.gz HTQZOUMCFKPVMI-UHFFFAOYSA-N 2 1 346.519 3.181 20 0 EGADMP [NH3+]CC1CC[NH+](Cc2c(Br)cccc2OC(F)F)CC1 ZINC001205053589 1370638355 /nfs/dbraw/zinc/63/83/55/1370638355.db2.gz PVSAEHBMSHYODQ-UHFFFAOYSA-N 2 1 349.219 3.221 20 0 EGADMP [NH3+][C@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(OCC3CC3)c2)CC1 ZINC001205110265 1370653416 /nfs/dbraw/zinc/65/34/16/1370653416.db2.gz QJQVVJOALJRJKI-HNNXBMFYSA-N 2 1 340.414 3.390 20 0 EGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(OCC3CC3)c2)CC1 ZINC001205110265 1370653420 /nfs/dbraw/zinc/65/34/20/1370653420.db2.gz QJQVVJOALJRJKI-HNNXBMFYSA-N 2 1 340.414 3.390 20 0 EGADMP COC(=O)c1ccc(-c2cccc(C[N@H+]3CCC[C@@H]([NH3+])CC3)c2)cc1 ZINC001205123675 1370657211 /nfs/dbraw/zinc/65/72/11/1370657211.db2.gz DYIZBWJMBVOTJW-HXUWFJFHSA-N 2 1 338.451 3.453 20 0 EGADMP COc1ccccc1N(C)c1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205150784 1370664447 /nfs/dbraw/zinc/66/44/47/1370664447.db2.gz KESCUICNHOHBIO-FUHWJXTLSA-N 2 1 339.483 3.490 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(F)c2OCc2ccccc2)C[C@H]1C[NH3+] ZINC001205155782 1370665603 /nfs/dbraw/zinc/66/56/03/1370665603.db2.gz DRRQLXAETUWVSN-MAUKXSAKSA-N 2 1 328.431 3.431 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(F)c2OCc2ccccc2)C[C@H]1C[NH3+] ZINC001205155782 1370665606 /nfs/dbraw/zinc/66/56/06/1370665606.db2.gz DRRQLXAETUWVSN-MAUKXSAKSA-N 2 1 328.431 3.431 20 0 EGADMP COc1c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cccc1OCc1ccccc1 ZINC001205155651 1370665771 /nfs/dbraw/zinc/66/57/71/1370665771.db2.gz AQBBIEQQGVKBJT-QFBILLFUSA-N 2 1 340.467 3.301 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)CC1 ZINC001205239461 1370692333 /nfs/dbraw/zinc/69/23/33/1370692333.db2.gz BQWIDJDFMZHHCV-FQEVSTJZSA-N 2 1 328.431 3.168 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001205242972 1370693292 /nfs/dbraw/zinc/69/32/92/1370693292.db2.gz XSGDKEQSLUVVDU-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccccc2-c2ccc(F)cc2F)CC1 ZINC001205249317 1370695474 /nfs/dbraw/zinc/69/54/74/1370695474.db2.gz VVLPKZIHNNSIHS-FQEVSTJZSA-N 2 1 346.421 3.308 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(C)cc1Br ZINC001205317903 1370720294 /nfs/dbraw/zinc/72/02/94/1370720294.db2.gz QLQRTWBZWACXCK-NHYWBVRUSA-N 2 1 325.294 3.483 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(C)cc1Br ZINC001205317903 1370720299 /nfs/dbraw/zinc/72/02/99/1370720299.db2.gz QLQRTWBZWACXCK-NHYWBVRUSA-N 2 1 325.294 3.483 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001187298486 1388090976 /nfs/dbraw/zinc/09/09/76/1388090976.db2.gz GBQJHKOLTYORPQ-WUTDNEBXSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205519045 1370778560 /nfs/dbraw/zinc/77/85/60/1370778560.db2.gz SQXRBNNEOLMVLL-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001205526139 1370781800 /nfs/dbraw/zinc/78/18/00/1370781800.db2.gz GPDFEWQDVPQFNB-UEKDZROGSA-N 2 1 335.536 3.045 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc1Br ZINC001205560004 1370790976 /nfs/dbraw/zinc/79/09/76/1370790976.db2.gz YBJSWKIQNQWFHW-HNNXBMFYSA-N 2 1 329.257 3.410 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(C(F)(F)F)c1 ZINC001205570337 1370795088 /nfs/dbraw/zinc/79/50/88/1370795088.db2.gz INSQGTRKVGNJRL-OAHLLOKOSA-N 2 1 334.357 3.367 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001205570408 1370795667 /nfs/dbraw/zinc/79/56/67/1370795667.db2.gz JUZSMTKJIOAHBC-AWEZNQCLSA-N 2 1 338.320 3.377 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(-n3cccn3)cc2Cl)CC1 ZINC001205582361 1370799539 /nfs/dbraw/zinc/79/95/39/1370799539.db2.gz XOGRGZNDRBMXLO-QGZVFWFLSA-N 2 1 336.842 3.179 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)CC1 ZINC001205591672 1370803950 /nfs/dbraw/zinc/80/39/50/1370803950.db2.gz NXSIQAXKQFGBMG-FQEVSTJZSA-N 2 1 343.446 3.314 20 0 EGADMP C[C@@H]1CC[N@@H+](CCc2ccccc2Br)CC[C@@H]1C[NH3+] ZINC001205600954 1370806560 /nfs/dbraw/zinc/80/65/60/1370806560.db2.gz COCOUMVVXARKFW-UKRRQHHQSA-N 2 1 325.294 3.298 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc1OC(F)F ZINC001205618607 1370813189 /nfs/dbraw/zinc/81/31/89/1370813189.db2.gz XPEAHBXPGDVXLP-JSGCOSHPSA-N 2 1 328.403 3.103 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2F)CC[C@H]1C[NH3+] ZINC001205617850 1370813490 /nfs/dbraw/zinc/81/34/90/1370813490.db2.gz OORVKVQBBPCZDD-NEPJUHHUSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cnc(Br)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205625582 1370816024 /nfs/dbraw/zinc/81/60/24/1370816024.db2.gz BMXGPSVYNSIICF-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cnc(Br)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205625582 1370816026 /nfs/dbraw/zinc/81/60/26/1370816026.db2.gz BMXGPSVYNSIICF-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cnc(Cl)cc2Br)CC[C@@H]1C[NH3+] ZINC001205638063 1370822092 /nfs/dbraw/zinc/82/20/92/1370822092.db2.gz KWMRHGSIAJYQIW-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cnc(Cl)cc2Br)CC[C@@H]1C[NH3+] ZINC001205638063 1370822093 /nfs/dbraw/zinc/82/20/93/1370822093.db2.gz KWMRHGSIAJYQIW-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2NC(=O)C(C)(C)C)CC[C@@H]1C[NH3+] ZINC001205651735 1370828721 /nfs/dbraw/zinc/82/87/21/1370828721.db2.gz ISXZKGSXXNJTHA-HZPDHXFCSA-N 2 1 331.504 3.478 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(O)cc2OC(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205653360 1370828938 /nfs/dbraw/zinc/82/89/38/1370828938.db2.gz SWFAXTVRVSPZBK-VXGBXAGGSA-N 2 1 332.366 3.098 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccnc(Br)c2Cl)CC[C@H]1C[NH3+] ZINC001205654580 1370829899 /nfs/dbraw/zinc/82/98/99/1370829899.db2.gz XORJRWHTBQKVBU-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccnc(Br)c2Cl)CC[C@H]1C[NH3+] ZINC001205654580 1370829901 /nfs/dbraw/zinc/82/99/01/1370829901.db2.gz XORJRWHTBQKVBU-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP CC(C)(C[N@H+]1CCCC[C@@](O)(C[NH3+])C1)Sc1ccc(Cl)cc1 ZINC001205662739 1370834384 /nfs/dbraw/zinc/83/43/84/1370834384.db2.gz DHZCBOLIDSNKSW-QGZVFWFLSA-N 2 1 342.936 3.386 20 0 EGADMP CCCCCCOc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205673022 1370838305 /nfs/dbraw/zinc/83/83/05/1370838305.db2.gz NUEQEZQGNCMMOS-HXUWFJFHSA-N 2 1 334.504 3.321 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205991673 1370931997 /nfs/dbraw/zinc/93/19/97/1370931997.db2.gz BIJULQNBNRCISF-OXQOHEQNSA-N 2 1 340.515 3.355 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(F)cc2Br)CCC[C@H]1C[NH3+] ZINC001205994391 1370933520 /nfs/dbraw/zinc/93/35/20/1370933520.db2.gz LJVJNRRDEQDOKV-RYUDHWBXSA-N 2 1 329.257 3.395 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206004687 1370935403 /nfs/dbraw/zinc/93/54/03/1370935403.db2.gz ULMKGEXPZQDMGS-QWHCGFSZSA-N 2 1 346.393 3.401 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc(OCc3ccccc3)ccn2)CCC[C@H]1C[NH3+] ZINC001206013725 1370939319 /nfs/dbraw/zinc/93/93/19/1370939319.db2.gz TZXJNMGSQMYJKL-MJGOQNOKSA-N 2 1 339.483 3.467 20 0 EGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC001206084718 1370957100 /nfs/dbraw/zinc/95/71/00/1370957100.db2.gz MJGIKXBEHPPRHN-RBSFLKMASA-N 2 1 334.451 3.064 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC001206084718 1370957105 /nfs/dbraw/zinc/95/71/05/1370957105.db2.gz MJGIKXBEHPPRHN-RBSFLKMASA-N 2 1 334.451 3.064 20 0 EGADMP CN(CCC[N@@H+](C)[C@H]1CC[C@](C)(c2ccccc2)C1)CC[NH+](C)C ZINC001206135228 1370968793 /nfs/dbraw/zinc/96/87/93/1370968793.db2.gz FXBISVVZKDDFBN-SFTDATJTSA-N 2 1 331.548 3.312 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](CCCc2ccc(Br)cc2)CC[C@H]1F ZINC001206156334 1370974270 /nfs/dbraw/zinc/97/42/70/1370974270.db2.gz QDDZTOAWTPLLJP-HUUCEWRRSA-N 2 1 329.257 3.143 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](CCCc2ccc(Br)cc2)CC[C@H]1F ZINC001206156334 1370974275 /nfs/dbraw/zinc/97/42/75/1370974275.db2.gz QDDZTOAWTPLLJP-HUUCEWRRSA-N 2 1 329.257 3.143 20 0 EGADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC001326056873 1388107180 /nfs/dbraw/zinc/10/71/80/1388107180.db2.gz CVPQUTCKPZPZPQ-HXUWFJFHSA-N 2 1 337.467 3.447 20 0 EGADMP COc1cc(F)ccc1-c1cncc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206210339 1370993021 /nfs/dbraw/zinc/99/30/21/1370993021.db2.gz KDLQXQQRJZMXGM-QZTJIDSGSA-N 2 1 347.409 3.158 20 0 EGADMP COc1cc(F)ccc1-c1cncc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206210339 1370993029 /nfs/dbraw/zinc/99/30/29/1370993029.db2.gz KDLQXQQRJZMXGM-QZTJIDSGSA-N 2 1 347.409 3.158 20 0 EGADMP COc1cc(F)ccc1-c1cncc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206210340 1370993304 /nfs/dbraw/zinc/99/33/04/1370993304.db2.gz KDLQXQQRJZMXGM-ROUUACIJSA-N 2 1 347.409 3.158 20 0 EGADMP COc1cc(F)ccc1-c1cncc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206210340 1370993308 /nfs/dbraw/zinc/99/33/08/1370993308.db2.gz KDLQXQQRJZMXGM-ROUUACIJSA-N 2 1 347.409 3.158 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC001117112679 1371012056 /nfs/dbraw/zinc/01/20/56/1371012056.db2.gz NWNOZLOOBRNIJR-RDJZCZTQSA-N 2 1 334.504 3.265 20 0 EGADMP COc1cccc(-c2ncc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)cn2)c1 ZINC001206310941 1371017699 /nfs/dbraw/zinc/01/76/99/1371017699.db2.gz FXAYSVILQBGDQS-FQEVSTJZSA-N 2 1 340.471 3.103 20 0 EGADMP CCOC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206311480 1371018269 /nfs/dbraw/zinc/01/82/69/1371018269.db2.gz PSNSBNRADJIDNV-FQEVSTJZSA-N 2 1 343.471 3.296 20 0 EGADMP Cc1cc(Br)ncc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206317829 1371019793 /nfs/dbraw/zinc/01/97/93/1371019793.db2.gz JLQGTKIBOLXXHT-OAHLLOKOSA-N 2 1 326.282 3.103 20 0 EGADMP Cc1nc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1Br ZINC001206318558 1371020423 /nfs/dbraw/zinc/02/04/23/1371020423.db2.gz RFDLAKOEAVANPO-HNNXBMFYSA-N 2 1 326.282 3.103 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1-n1cnc(C)c1 ZINC001206318927 1371020446 /nfs/dbraw/zinc/02/04/46/1371020446.db2.gz VFMUECFSYZKXAF-HXUWFJFHSA-N 2 1 342.487 3.140 20 0 EGADMP Cn1c2ccccc2c(Cl)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1=O ZINC001206564446 1371095159 /nfs/dbraw/zinc/09/51/59/1371095159.db2.gz NXARVAGAQWMTDF-IBGZPJMESA-N 2 1 347.890 3.143 20 0 EGADMP COC(=O)c1[nH]c2ccccc2c1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206592131 1371102480 /nfs/dbraw/zinc/10/24/80/1371102480.db2.gz XMLSNZNDRXLMBM-OAHLLOKOSA-N 2 1 343.471 3.307 20 0 EGADMP c1c(C[N@@H+]2CCOC[C@@H]2c2ccccc2)c2cccc3c2n1CC[NH2+]C3 ZINC001206648739 1371119351 /nfs/dbraw/zinc/11/93/51/1371119351.db2.gz OUWBXVSKYOWBQG-OAQYLSRUSA-N 2 1 347.462 3.318 20 0 EGADMP c1c(C[N@H+]2CCOC[C@@H]2c2ccccc2)c2cccc3c2n1CC[NH2+]C3 ZINC001206648739 1371119355 /nfs/dbraw/zinc/11/93/55/1371119355.db2.gz OUWBXVSKYOWBQG-OAQYLSRUSA-N 2 1 347.462 3.318 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccnc(OCc3ccccc3)c2)C1 ZINC001206649602 1371119943 /nfs/dbraw/zinc/11/99/43/1371119943.db2.gz WSJQRPIHAYJYLE-IBGZPJMESA-N 2 1 325.456 3.221 20 0 EGADMP C[N@H+]1CCc2cc(-c3ccc(CN4CCOCC4)cc3F)ccc2C1 ZINC001206720126 1371144698 /nfs/dbraw/zinc/14/46/98/1371144698.db2.gz ZQJAHEQPRNQTBN-UHFFFAOYSA-N 2 1 340.442 3.313 20 0 EGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(-c2ccccc2)cn1 ZINC001206805187 1371174508 /nfs/dbraw/zinc/17/45/08/1371174508.db2.gz ASIHWZSPFZKZNC-HOTGVXAUSA-N 2 1 325.456 3.316 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Br)ccc1N(C)C ZINC001206809615 1371176285 /nfs/dbraw/zinc/17/62/85/1371176285.db2.gz LZIQDWNENFSDMG-STQMWFEESA-N 2 1 340.309 3.074 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]Cc2cccc(C)c2)CC1 ZINC001206886566 1371208035 /nfs/dbraw/zinc/20/80/35/1371208035.db2.gz WSYBVBYPLJXGSK-UHFFFAOYSA-N 2 1 345.531 3.055 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001207187299 1371324346 /nfs/dbraw/zinc/32/43/46/1371324346.db2.gz PJDOYKYOOSCIDJ-RSPOEFSDSA-N 2 1 347.934 3.154 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001207337554 1371364820 /nfs/dbraw/zinc/36/48/20/1371364820.db2.gz TZSGWLXKONGTKT-KURKYZTESA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001207337554 1371364826 /nfs/dbraw/zinc/36/48/26/1371364826.db2.gz TZSGWLXKONGTKT-KURKYZTESA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001207337554 1371364831 /nfs/dbraw/zinc/36/48/31/1371364831.db2.gz TZSGWLXKONGTKT-KURKYZTESA-N 2 1 337.552 3.124 20 0 EGADMP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207392289 1371383110 /nfs/dbraw/zinc/38/31/10/1371383110.db2.gz YFIMSXRYNGDORH-IBGZPJMESA-N 2 1 343.515 3.438 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC001207422125 1371390560 /nfs/dbraw/zinc/39/05/60/1371390560.db2.gz ANKNJBHPMAREAT-UHFFFAOYSA-N 2 1 337.939 3.232 20 0 EGADMP Brc1ccccc1CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001207528394 1371425395 /nfs/dbraw/zinc/42/53/95/1371425395.db2.gz WNGACSPYSCCGPC-UHFFFAOYSA-N 2 1 346.272 3.209 20 0 EGADMP Cc1cccc(CCN2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001207538365 1371429382 /nfs/dbraw/zinc/42/93/82/1371429382.db2.gz FFKDNIDPZXEVQE-FGZHOGPDSA-N 2 1 342.527 3.360 20 0 EGADMP Cc1cccc(CC[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001207538365 1371429385 /nfs/dbraw/zinc/42/93/85/1371429385.db2.gz FFKDNIDPZXEVQE-FGZHOGPDSA-N 2 1 342.527 3.360 20 0 EGADMP Cc1cccc(CC[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001207538365 1371429389 /nfs/dbraw/zinc/42/93/89/1371429389.db2.gz FFKDNIDPZXEVQE-FGZHOGPDSA-N 2 1 342.527 3.360 20 0 EGADMP Cc1cccc(CC[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001207538365 1371429394 /nfs/dbraw/zinc/42/93/94/1371429394.db2.gz FFKDNIDPZXEVQE-FGZHOGPDSA-N 2 1 342.527 3.360 20 0 EGADMP Cc1cccc(CC[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001207538365 1371429399 /nfs/dbraw/zinc/42/93/99/1371429399.db2.gz FFKDNIDPZXEVQE-FGZHOGPDSA-N 2 1 342.527 3.360 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC)CCCCC1 ZINC001119988841 1371443794 /nfs/dbraw/zinc/44/37/94/1371443794.db2.gz CRUFYTHJVNSVII-GOSISDBHSA-N 2 1 337.552 3.460 20 0 EGADMP COCC[N@H+]1CCO[C@@H]2C[NH+](CCCC3CCCCC3)CC[C@@H]2C1 ZINC001207608226 1371450485 /nfs/dbraw/zinc/45/04/85/1371450485.db2.gz OUZWCPRSJNFVHN-WOJBJXKFSA-N 2 1 338.536 3.016 20 0 EGADMP COCC[NH+]1CCO[C@@H]2C[N@H+](CCCC3CCCCC3)CC[C@@H]2C1 ZINC001207608226 1371450488 /nfs/dbraw/zinc/45/04/88/1371450488.db2.gz OUZWCPRSJNFVHN-WOJBJXKFSA-N 2 1 338.536 3.016 20 0 EGADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](CCCC3CCCCC3)CC[C@@H]2C1 ZINC001207608226 1371450491 /nfs/dbraw/zinc/45/04/91/1371450491.db2.gz OUZWCPRSJNFVHN-WOJBJXKFSA-N 2 1 338.536 3.016 20 0 EGADMP CC(C)n1nc(CN(C)C)c2c1C[N@@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001207620977 1371454019 /nfs/dbraw/zinc/45/40/19/1371454019.db2.gz YIAFOSKMWDTYLM-GVDBMIGSSA-N 2 1 328.504 3.096 20 0 EGADMP CC/C=C/CC[NH2+]C1(CNC(=O)CC[N@H+](C)CCC)CCCCC1 ZINC001120041452 1371466236 /nfs/dbraw/zinc/46/62/36/1371466236.db2.gz QBIZICPKEGYUMB-VOTSOKGWSA-N 2 1 337.552 3.483 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1 ZINC001120041553 1371467592 /nfs/dbraw/zinc/46/75/92/1371467592.db2.gz XBCIPHFCXVTXKR-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cnc(-c4ccccc4)nc3)C[C@@H]2C1 ZINC001120071142 1371477687 /nfs/dbraw/zinc/47/76/87/1371477687.db2.gz FZZJULHFFHWUSE-SLFFLAALSA-N 2 1 336.483 3.306 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]CCC3CCCCC3)CCCCC2)C1 ZINC001120128974 1371491255 /nfs/dbraw/zinc/49/12/55/1371491255.db2.gz CBLBTVKFAZSSGM-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc4nonc4c3)CC2)C1 ZINC001207745314 1371492771 /nfs/dbraw/zinc/49/27/71/1371492771.db2.gz MRLPJNDBXANONC-YOEHRIQHSA-N 2 1 328.460 3.356 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)c2cccc(F)c2)C[C@H]1C ZINC001207750483 1371494593 /nfs/dbraw/zinc/49/45/93/1371494593.db2.gz RXKJRTKTDNTGAG-RVKKMQEKSA-N 2 1 349.494 3.054 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cccc(F)c2)C[C@H]1C ZINC001207750483 1371494596 /nfs/dbraw/zinc/49/45/96/1371494596.db2.gz RXKJRTKTDNTGAG-RVKKMQEKSA-N 2 1 349.494 3.054 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cccc(F)c2)C[C@H]1C ZINC001207750483 1371494598 /nfs/dbraw/zinc/49/45/98/1371494598.db2.gz RXKJRTKTDNTGAG-RVKKMQEKSA-N 2 1 349.494 3.054 20 0 EGADMP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCCCC1 ZINC001120208427 1371505689 /nfs/dbraw/zinc/50/56/89/1371505689.db2.gz ZFMCUVQEPUXHBG-SJORKVTESA-N 2 1 341.515 3.018 20 0 EGADMP Cc1ccc(-c2cnn(C[N@@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)c2)cc1 ZINC001120255243 1371516361 /nfs/dbraw/zinc/51/63/61/1371516361.db2.gz BVEVVCQPDBYEDW-QKNQBKEWSA-N 2 1 338.499 3.478 20 0 EGADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCCO2)CC3)c1 ZINC001207853656 1371520088 /nfs/dbraw/zinc/52/00/88/1371520088.db2.gz QUTHPGRBIHQQKO-FQEVSTJZSA-N 2 1 344.499 3.162 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001207867967 1371525606 /nfs/dbraw/zinc/52/56/06/1371525606.db2.gz FYAONDRQOLRPSI-FOVLHFFESA-N 2 1 340.471 3.131 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001207988865 1371560658 /nfs/dbraw/zinc/56/06/58/1371560658.db2.gz ZITACYYTIQCDJV-GPMSIDNRSA-N 2 1 342.487 3.067 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001120429827 1371573331 /nfs/dbraw/zinc/57/33/31/1371573331.db2.gz BTTOQLCFBPMLAN-RTBURBONSA-N 2 1 346.519 3.085 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001120429827 1371573334 /nfs/dbraw/zinc/57/33/34/1371573334.db2.gz BTTOQLCFBPMLAN-RTBURBONSA-N 2 1 346.519 3.085 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CCC(C)(C)C)C1 ZINC001120430913 1371574633 /nfs/dbraw/zinc/57/46/33/1371574633.db2.gz NZSGIPJMUAUWLP-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CC2CC2)C1)CC(C)(C)C ZINC001120431606 1371575211 /nfs/dbraw/zinc/57/52/11/1371575211.db2.gz UYMOXEQAOYSXDL-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC2CC2)C1)CC(C)(C)C ZINC001120431606 1371575216 /nfs/dbraw/zinc/57/52/16/1371575216.db2.gz UYMOXEQAOYSXDL-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC2CC2)C1)CC(C)(C)C ZINC001120431606 1371575223 /nfs/dbraw/zinc/57/52/23/1371575223.db2.gz UYMOXEQAOYSXDL-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208048162 1371579900 /nfs/dbraw/zinc/57/99/00/1371579900.db2.gz BYBVMQFTMMQLTN-OALUTQOASA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001120462278 1371585013 /nfs/dbraw/zinc/58/50/13/1371585013.db2.gz WAVCXDNEWRNIMO-UXHICEINSA-N 2 1 349.563 3.366 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH2+]CCn1cc[nH+]c1C(C)C ZINC001120467058 1371586317 /nfs/dbraw/zinc/58/63/17/1371586317.db2.gz HXNHAOIYCBQBJB-UHFFFAOYSA-N 2 1 332.423 3.072 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@H]([NH2+]CC(CC)CC)C1 ZINC001208073179 1371587500 /nfs/dbraw/zinc/58/75/00/1371587500.db2.gz DUHCYRLLBRODDA-AEFFLSMTSA-N 2 1 348.535 3.413 20 0 EGADMP CCCCC[NH2+][C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001208074618 1371588564 /nfs/dbraw/zinc/58/85/64/1371588564.db2.gz ZSLFPJBMBIQABG-IRXDYDNUSA-N 2 1 334.508 3.167 20 0 EGADMP C[NH+]1CCC(C)(CN2CC[NH+]([C@H]3CCCc4ccccc43)CC2)CC1 ZINC001208109071 1371596702 /nfs/dbraw/zinc/59/67/02/1371596702.db2.gz LHPSWGIHTMDFFS-NRFANRHFSA-N 2 1 341.543 3.414 20 0 EGADMP COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)CC1(C)CC[NH+](C)CC1 ZINC001208110292 1371598065 /nfs/dbraw/zinc/59/80/65/1371598065.db2.gz YEDMKFDSRONHQX-KRWDZBQOSA-N 2 1 334.504 3.264 20 0 EGADMP Cc1ccc(CN2C[C@H]3C[NH+](CC4(C)CC[NH+](C)CC4)C[C@@H]3C2)cc1 ZINC001208110890 1371598079 /nfs/dbraw/zinc/59/80/79/1371598079.db2.gz XBINHCJVMSTZFA-SFTDATJTSA-N 2 1 341.543 3.091 20 0 EGADMP C[NH+](C)CC1(CN2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)CCCC1 ZINC001208185412 1371627295 /nfs/dbraw/zinc/62/72/95/1371627295.db2.gz CZACVMXJLLOYBM-SFTDATJTSA-N 2 1 341.543 3.315 20 0 EGADMP CC/C=C\CCCCC[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001208191632 1371628957 /nfs/dbraw/zinc/62/89/57/1371628957.db2.gz ULFMUZYRKKAXPC-PLNGDYQASA-N 2 1 335.536 3.189 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(C)c1 ZINC001326310405 1388149313 /nfs/dbraw/zinc/14/93/13/1388149313.db2.gz DXRDKAJIRCHECR-KRWDZBQOSA-N 2 1 329.488 3.096 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001208401952 1371754705 /nfs/dbraw/zinc/75/47/05/1371754705.db2.gz MDMYXHSXDPHRMB-MISYRCLQSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001208401952 1371754709 /nfs/dbraw/zinc/75/47/09/1371754709.db2.gz MDMYXHSXDPHRMB-MISYRCLQSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001208401952 1371754714 /nfs/dbraw/zinc/75/47/14/1371754714.db2.gz MDMYXHSXDPHRMB-MISYRCLQSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001208453308 1371771460 /nfs/dbraw/zinc/77/14/60/1371771460.db2.gz DOHIQTHQNCMTCJ-QZTJIDSGSA-N 2 1 345.531 3.367 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001208460198 1371775785 /nfs/dbraw/zinc/77/57/85/1371775785.db2.gz PSWRRYBHGRKOAT-QGZVFWFLSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@H]1C)[NH+](CC)CC ZINC001208570948 1371822046 /nfs/dbraw/zinc/82/20/46/1371822046.db2.gz DRKSXXQOCSRHOY-MISYRCLQSA-N 2 1 345.531 3.052 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CC[NH+](C3CCC3)CC2)cc1 ZINC001208581977 1371826836 /nfs/dbraw/zinc/82/68/36/1371826836.db2.gz BVHCGRIJVYFVRO-OAQYLSRUSA-N 2 1 327.516 3.211 20 0 EGADMP CCOC(=O)CC[N@H+](Cc1ccccc1)CC1CC[NH+](CC)CC1 ZINC001208596374 1371835155 /nfs/dbraw/zinc/83/51/55/1371835155.db2.gz MEXOSWTYDSDCGC-UHFFFAOYSA-N 2 1 332.488 3.174 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2c2cccc(C(=O)OC)c2)CC1 ZINC001208602357 1371836095 /nfs/dbraw/zinc/83/60/95/1371836095.db2.gz CXILMYMHPNDXOS-IBGZPJMESA-N 2 1 330.472 3.342 20 0 EGADMP CCC[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208618802 1371845147 /nfs/dbraw/zinc/84/51/47/1371845147.db2.gz SBRZCMFTDLAXHZ-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP CCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208618802 1371845152 /nfs/dbraw/zinc/84/51/52/1371845152.db2.gz SBRZCMFTDLAXHZ-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP CCC[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208618802 1371845154 /nfs/dbraw/zinc/84/51/54/1371845154.db2.gz SBRZCMFTDLAXHZ-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP CCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208618802 1371845159 /nfs/dbraw/zinc/84/51/59/1371845159.db2.gz SBRZCMFTDLAXHZ-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)CCC(C)(C)c1ccccc1 ZINC001208668582 1371856432 /nfs/dbraw/zinc/85/64/32/1371856432.db2.gz WBLWEGJPAGPLFA-UHFFFAOYSA-N 2 1 334.504 3.171 20 0 EGADMP CCCC[NH2+]C1CC2(CC(NC(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001121133556 1371862256 /nfs/dbraw/zinc/86/22/56/1371862256.db2.gz CHLQTGFHFJBFDH-UEBDJUODSA-N 2 1 346.519 3.214 20 0 EGADMP Clc1ccc(CCN2CCn3cc(CN4CCCC4)nc3C2)cc1 ZINC001208740427 1371880592 /nfs/dbraw/zinc/88/05/92/1371880592.db2.gz MLLDQVYHKQURFJ-UHFFFAOYSA-N 2 1 344.890 3.191 20 0 EGADMP CC(C)Oc1ncccc1CC[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001208799606 1371900142 /nfs/dbraw/zinc/90/01/42/1371900142.db2.gz ZJYGYIIZMXHBIM-UHFFFAOYSA-N 2 1 333.520 3.464 20 0 EGADMP C[N@@H+](CC(=O)NC1CC2(C1)CC([NH2+]CC1CCCCC1)C2)C1CCC1 ZINC001121245975 1371907047 /nfs/dbraw/zinc/90/70/47/1371907047.db2.gz JLOYCTKAXRTFOS-UHFFFAOYSA-N 2 1 347.547 3.068 20 0 EGADMP CCCCCC[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001121261079 1371912336 /nfs/dbraw/zinc/91/23/36/1371912336.db2.gz OGJOZFQDHCCOBB-FCOWATRHSA-N 2 1 349.563 3.458 20 0 EGADMP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001121295278 1371926583 /nfs/dbraw/zinc/92/65/83/1371926583.db2.gz XYIWWSHVMBLYQX-WZXTXQKWSA-N 2 1 335.536 3.068 20 0 EGADMP CC[NH+](CC)[C@H]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940492 1371953351 /nfs/dbraw/zinc/95/33/51/1371953351.db2.gz SIGITJFUWSRHDY-SFTDATJTSA-N 2 1 329.532 3.315 20 0 EGADMP C[N@H+]1CCN(C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001208945829 1371959365 /nfs/dbraw/zinc/95/93/65/1371959365.db2.gz DUSRJGQLDJFUKE-GGAORHGYSA-N 2 1 349.522 3.497 20 0 EGADMP C[NH+]1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001208945829 1371959367 /nfs/dbraw/zinc/95/93/67/1371959367.db2.gz DUSRJGQLDJFUKE-GGAORHGYSA-N 2 1 349.522 3.497 20 0 EGADMP C[NH+]1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001208945829 1371959368 /nfs/dbraw/zinc/95/93/68/1371959368.db2.gz DUSRJGQLDJFUKE-GGAORHGYSA-N 2 1 349.522 3.497 20 0 EGADMP C[N@H+]1CCN(C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC001208949637 1371961351 /nfs/dbraw/zinc/96/13/51/1371961351.db2.gz MNFCFMYZJAKXSL-GMAHTHKFSA-N 2 1 349.522 3.497 20 0 EGADMP C[NH+]1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC001208949637 1371961355 /nfs/dbraw/zinc/96/13/55/1371961355.db2.gz MNFCFMYZJAKXSL-GMAHTHKFSA-N 2 1 349.522 3.497 20 0 EGADMP C[NH+]1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC001208949637 1371961359 /nfs/dbraw/zinc/96/13/59/1371961359.db2.gz MNFCFMYZJAKXSL-GMAHTHKFSA-N 2 1 349.522 3.497 20 0 EGADMP CCOC(C)(C)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209075876 1371990898 /nfs/dbraw/zinc/99/08/98/1371990898.db2.gz XUEIDBARLSZDTG-YSIASYRMSA-N 2 1 345.531 3.429 20 0 EGADMP CCOC(C)(C)C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209075876 1371990903 /nfs/dbraw/zinc/99/09/03/1371990903.db2.gz XUEIDBARLSZDTG-YSIASYRMSA-N 2 1 345.531 3.429 20 0 EGADMP CCOC(C)(C)C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209075876 1371990905 /nfs/dbraw/zinc/99/09/05/1371990905.db2.gz XUEIDBARLSZDTG-YSIASYRMSA-N 2 1 345.531 3.429 20 0 EGADMP CCOC(C)(C)C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209075876 1371990913 /nfs/dbraw/zinc/99/09/13/1371990913.db2.gz XUEIDBARLSZDTG-YSIASYRMSA-N 2 1 345.531 3.429 20 0 EGADMP C[NH+](C)CCC[N@@H+](C)CC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001209166356 1372020562 /nfs/dbraw/zinc/02/05/62/1372020562.db2.gz ZBOVNKTYIQGDEQ-MRXNPFEDSA-N 2 1 327.513 3.050 20 0 EGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)CC1COC(C)(C)OC1 ZINC001209199386 1372034952 /nfs/dbraw/zinc/03/49/52/1372034952.db2.gz XSFMIRKFJJEMJT-UHFFFAOYSA-N 2 1 346.515 3.230 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(CC)CC)C2)C1 ZINC001209205701 1372038130 /nfs/dbraw/zinc/03/81/30/1372038130.db2.gz RGHMVVBZYOIAKQ-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001121767763 1372074974 /nfs/dbraw/zinc/07/49/74/1372074974.db2.gz KAKFCHMFNKQODM-YQTQZHKRSA-N 2 1 349.563 3.170 20 0 EGADMP CC(C)(C)OC(=O)NCCCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001209367806 1372078794 /nfs/dbraw/zinc/07/87/94/1372078794.db2.gz AAHPLTJYVBBGOA-UHFFFAOYSA-N 2 1 339.524 3.242 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+][C@H](C)c2ccccc2C)C1 ZINC001326404149 1388178778 /nfs/dbraw/zinc/17/87/78/1388178778.db2.gz PBVKHBJMTDDTKV-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP COC(C)(C)CC[N@H+]1C[C@@H]2CCC[C@@H](N(C)Cc3ccccn3)[C@@H]2C1 ZINC001209408121 1372096971 /nfs/dbraw/zinc/09/69/71/1372096971.db2.gz ZDFHZQGCQHLJFE-DFQSSKMNSA-N 2 1 345.531 3.429 20 0 EGADMP COC(C)(C)CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209408121 1372096976 /nfs/dbraw/zinc/09/69/76/1372096976.db2.gz ZDFHZQGCQHLJFE-DFQSSKMNSA-N 2 1 345.531 3.429 20 0 EGADMP COC(C)(C)CC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209408121 1372096981 /nfs/dbraw/zinc/09/69/81/1372096981.db2.gz ZDFHZQGCQHLJFE-DFQSSKMNSA-N 2 1 345.531 3.429 20 0 EGADMP COC(C)(C)CC[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209408121 1372096982 /nfs/dbraw/zinc/09/69/82/1372096982.db2.gz ZDFHZQGCQHLJFE-DFQSSKMNSA-N 2 1 345.531 3.429 20 0 EGADMP COC(C)(C)CC[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209408121 1372096993 /nfs/dbraw/zinc/09/69/93/1372096993.db2.gz ZDFHZQGCQHLJFE-DFQSSKMNSA-N 2 1 345.531 3.429 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CCC[NH+]2CCCCC2)cc1 ZINC001209450466 1372108931 /nfs/dbraw/zinc/10/89/31/1372108931.db2.gz RPCDLKNNSHPEQJ-OYRHEFFESA-N 2 1 327.516 3.211 20 0 EGADMP C[C@@H]1CN(CCC[NH+]2CCCCC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001209448712 1372109113 /nfs/dbraw/zinc/10/91/13/1372109113.db2.gz ZPRRXZXCCQQILO-VQTJNVASSA-N 2 1 329.532 3.457 20 0 EGADMP COc1ccccc1OC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC001209450925 1372109217 /nfs/dbraw/zinc/10/92/17/1372109217.db2.gz OOUZLDUQZQDFMO-UHFFFAOYSA-N 2 1 332.488 3.414 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CCC1=CCCCC1)C2 ZINC001122021710 1372154700 /nfs/dbraw/zinc/15/47/00/1372154700.db2.gz DJKOXWGJEPRINN-UHFFFAOYSA-N 2 1 347.547 3.236 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC1=CCCCC1)C2 ZINC001122101534 1372174411 /nfs/dbraw/zinc/17/44/11/1372174411.db2.gz NUWBBRQVWPYUAH-UHFFFAOYSA-N 2 1 347.547 3.236 20 0 EGADMP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)C1 ZINC001122124190 1372181044 /nfs/dbraw/zinc/18/10/44/1372181044.db2.gz OPHYXAJNHLGCHN-QDDLRWIDSA-N 2 1 347.547 3.070 20 0 EGADMP CN(C)c1ccccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001209773841 1372191431 /nfs/dbraw/zinc/19/14/31/1372191431.db2.gz HXJRINHMMQOQPE-HDICACEKSA-N 2 1 341.524 3.378 20 0 EGADMP CN(C)c1ccccc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001209773841 1372191432 /nfs/dbraw/zinc/19/14/32/1372191432.db2.gz HXJRINHMMQOQPE-HDICACEKSA-N 2 1 341.524 3.378 20 0 EGADMP CN(C)c1ccccc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001209773841 1372191436 /nfs/dbraw/zinc/19/14/36/1372191436.db2.gz HXJRINHMMQOQPE-HDICACEKSA-N 2 1 341.524 3.378 20 0 EGADMP CN(C)c1ccccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001209773841 1372191439 /nfs/dbraw/zinc/19/14/39/1372191439.db2.gz HXJRINHMMQOQPE-HDICACEKSA-N 2 1 341.524 3.378 20 0 EGADMP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001122231825 1372207355 /nfs/dbraw/zinc/20/73/55/1372207355.db2.gz ZMDUJACLNCYLBF-OSWRJNDQSA-N 2 1 349.563 3.312 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209892285 1372224492 /nfs/dbraw/zinc/22/44/92/1372224492.db2.gz PEUCWMSDXMBJTJ-KRWDZBQOSA-N 2 1 334.508 3.023 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)c2cc(C)ccc2C)C[C@H]1C ZINC001210040517 1372261568 /nfs/dbraw/zinc/26/15/68/1372261568.db2.gz JFZQDTQJJRKQTJ-WSTZPKSXSA-N 2 1 345.531 3.143 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cc(C)ccc2C)C[C@H]1C ZINC001210040517 1372261574 /nfs/dbraw/zinc/26/15/74/1372261574.db2.gz JFZQDTQJJRKQTJ-WSTZPKSXSA-N 2 1 345.531 3.143 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cc(C)ccc2C)C[C@H]1C ZINC001210040517 1372261578 /nfs/dbraw/zinc/26/15/78/1372261578.db2.gz JFZQDTQJJRKQTJ-WSTZPKSXSA-N 2 1 345.531 3.143 20 0 EGADMP Cc1nc(C(F)(F)F)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)s1 ZINC001210262294 1372308397 /nfs/dbraw/zinc/30/83/97/1372308397.db2.gz FAAATDKGACHKPO-UHFFFAOYSA-N 2 1 343.378 3.019 20 0 EGADMP Fc1cccc(C(F)(F)F)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210265936 1372310669 /nfs/dbraw/zinc/31/06/69/1372310669.db2.gz DXFIJCFNSQDHNE-UHFFFAOYSA-N 2 1 340.324 3.393 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210427038 1372350731 /nfs/dbraw/zinc/35/07/31/1372350731.db2.gz MRKYSTWJBJXCEI-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)c2ccc(F)cc2)C[C@H]1C ZINC001210497805 1372367251 /nfs/dbraw/zinc/36/72/51/1372367251.db2.gz JFFOFSGEDPGNSZ-GPMSIDNRSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)cc2)C[C@H]1C ZINC001210497805 1372367256 /nfs/dbraw/zinc/36/72/56/1372367256.db2.gz JFFOFSGEDPGNSZ-GPMSIDNRSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)cc2)C[C@H]1C ZINC001210497805 1372367260 /nfs/dbraw/zinc/36/72/60/1372367260.db2.gz JFFOFSGEDPGNSZ-GPMSIDNRSA-N 2 1 349.494 3.055 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCC(C)C)C1)c1ccccc1 ZINC001210643874 1372398756 /nfs/dbraw/zinc/39/87/56/1372398756.db2.gz LYRYVUCTGXVSOJ-WOJBJXKFSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001210783486 1372426231 /nfs/dbraw/zinc/42/62/31/1372426231.db2.gz TXDLOLQUYMGIJX-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001211257587 1372514581 /nfs/dbraw/zinc/51/45/81/1372514581.db2.gz UASWCXUWTSBIKM-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1)c1ccccc1 ZINC001211269263 1372517342 /nfs/dbraw/zinc/51/73/42/1372517342.db2.gz OBNNVXJYMNNLHX-RTBURBONSA-N 2 1 349.494 3.010 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374597 1372543146 /nfs/dbraw/zinc/54/31/46/1372543146.db2.gz JVFDVZFGTXCJKE-XBQKGDGXSA-N 2 1 343.515 3.082 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374597 1372543147 /nfs/dbraw/zinc/54/31/47/1372543147.db2.gz JVFDVZFGTXCJKE-XBQKGDGXSA-N 2 1 343.515 3.082 20 0 EGADMP Cc1cc(NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@@H+]3C2)ccc1C[NH+](C)C ZINC001123807346 1372594839 /nfs/dbraw/zinc/59/48/39/1372594839.db2.gz WXJTUFNYIUCGGD-YJLNNSPDSA-N 2 1 329.488 3.116 20 0 EGADMP COc1cc(C)ccc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212145369 1372663837 /nfs/dbraw/zinc/66/38/37/1372663837.db2.gz QYCGETGSBVNIQK-HNNXBMFYSA-N 2 1 332.448 3.222 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C2CCCCC2)cc1 ZINC001124866963 1372736658 /nfs/dbraw/zinc/73/66/58/1372736658.db2.gz OLFJFGHAPURRBC-FQEVSTJZSA-N 2 1 343.515 3.034 20 0 EGADMP CCC/C=C/CC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357151 1373118964 /nfs/dbraw/zinc/11/89/64/1373118964.db2.gz SXFUHNKMDPCHLQ-SHCNBLLESA-N 2 1 335.536 3.093 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC001129328718 1373372426 /nfs/dbraw/zinc/37/24/26/1373372426.db2.gz RVIKTBRHGQTFKJ-OALUTQOASA-N 2 1 345.531 3.048 20 0 EGADMP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC001129418621 1373381745 /nfs/dbraw/zinc/38/17/45/1373381745.db2.gz VYAPGIGQLVEPSC-UXHICEINSA-N 2 1 343.515 3.251 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001130299769 1373487791 /nfs/dbraw/zinc/48/77/91/1373487791.db2.gz CKGCPNAGNNYNFW-LPHOPBHVSA-N 2 1 331.504 3.061 20 0 EGADMP CC(C)(C)c1ccc(-c2nnc([C@H]([NH3+])CC3CC[NH2+]CC3)o2)cc1 ZINC001217725585 1373495532 /nfs/dbraw/zinc/49/55/32/1373495532.db2.gz SQRUTOSCMCSFIV-MRXNPFEDSA-N 2 1 328.460 3.424 20 0 EGADMP c1ccc(C(c2ccccc2)[NH+]2CC(OCC[C@H]3CC[NH2+]C3)C2)cc1 ZINC001217825909 1373504679 /nfs/dbraw/zinc/50/46/79/1373504679.db2.gz AEEXEBDGOFLLIC-GOSISDBHSA-N 2 1 336.479 3.476 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COCC[C@H]2CCC[NH2+]C2)O1 ZINC001217908532 1373511599 /nfs/dbraw/zinc/51/15/99/1373511599.db2.gz JIIPPZRAMPKYKM-UYAOXDASSA-N 2 1 346.515 3.072 20 0 EGADMP Cc1c(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)ccc2c1CC[NH2+]C2 ZINC001218358907 1373603058 /nfs/dbraw/zinc/60/30/58/1373603058.db2.gz HDRBVXVZTCAYQF-FQEVSTJZSA-N 2 1 333.435 3.338 20 0 EGADMP Fc1ccccc1C[N@H+]1CCC[C@@H](Oc2cccc3c2C[NH2+]C3)C1 ZINC001218390433 1373605189 /nfs/dbraw/zinc/60/51/89/1373605189.db2.gz JAEFNNHQFLWQMD-QGZVFWFLSA-N 2 1 326.415 3.472 20 0 EGADMP C[C@@H]1CC[C@@H](Oc2ccc(Br)c(C[NH+](C)C)c2)C[NH2+]1 ZINC001218401353 1373608340 /nfs/dbraw/zinc/60/83/40/1373608340.db2.gz GUWRRGYBUHESNI-BXUZGUMPSA-N 2 1 327.266 3.030 20 0 EGADMP C[C@]1(C(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)CCC[NH2+]1 ZINC001218847853 1373660048 /nfs/dbraw/zinc/66/00/48/1373660048.db2.gz KOBDZHOAMNJQRF-OAQYLSRUSA-N 2 1 335.451 3.283 20 0 EGADMP C[C@]1(C(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)CCC[NH2+]1 ZINC001218847853 1373660050 /nfs/dbraw/zinc/66/00/50/1373660050.db2.gz KOBDZHOAMNJQRF-OAQYLSRUSA-N 2 1 335.451 3.283 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848273 1373798173 /nfs/dbraw/zinc/79/81/73/1373798173.db2.gz IAJAECXMUPKRIE-VAMGGRTRSA-N 2 1 349.563 3.362 20 0 EGADMP CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221848273 1373798178 /nfs/dbraw/zinc/79/81/78/1373798178.db2.gz IAJAECXMUPKRIE-VAMGGRTRSA-N 2 1 349.563 3.362 20 0 EGADMP CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221848273 1373798185 /nfs/dbraw/zinc/79/81/85/1373798185.db2.gz IAJAECXMUPKRIE-VAMGGRTRSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001224746519 1375073871 /nfs/dbraw/zinc/07/38/71/1375073871.db2.gz SCWAOFXHCFRBKA-UHFFFAOYSA-N 2 1 334.508 3.025 20 0 EGADMP CCCCCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001224795474 1375077393 /nfs/dbraw/zinc/07/73/93/1375077393.db2.gz IKFCVKXDQVUDBO-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCc2ncc[nH]2)C[N@H+]1CCC1CCCCC1 ZINC001132024969 1375104087 /nfs/dbraw/zinc/10/40/87/1375104087.db2.gz KWEYYDCXNHOVLS-FUHWJXTLSA-N 2 1 346.519 3.282 20 0 EGADMP CCCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132203346 1375207183 /nfs/dbraw/zinc/20/71/83/1375207183.db2.gz ORSAMPFBPSXWJE-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001132214330 1375213711 /nfs/dbraw/zinc/21/37/11/1375213711.db2.gz FTMDPIOBABKKEB-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001132214234 1375214204 /nfs/dbraw/zinc/21/42/04/1375214204.db2.gz DVSXUNCXIGUWSU-ZWKOTPCHSA-N 2 1 337.552 3.410 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CCC1=CCCCC1 ZINC001132265584 1375254015 /nfs/dbraw/zinc/25/40/15/1375254015.db2.gz PEIAJTBYPFBJME-HKUYNNGSSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CCCC1CCCC1 ZINC001132269065 1375256315 /nfs/dbraw/zinc/25/63/15/1375256315.db2.gz DVDJFPOPPAKRRK-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CCC1CCCCC1 ZINC001132269662 1375257982 /nfs/dbraw/zinc/25/79/82/1375257982.db2.gz NINXXBXUGVAOSE-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC1CCC(C)(C)CC1 ZINC001132273843 1375260154 /nfs/dbraw/zinc/26/01/54/1375260154.db2.gz KVCRBWMZSBBRLM-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132339890 1375318755 /nfs/dbraw/zinc/31/87/55/1375318755.db2.gz KZPNEVLAILHFDR-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132340054 1375319082 /nfs/dbraw/zinc/31/90/82/1375319082.db2.gz MFPUJHMFWFZXIH-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132340272 1375320326 /nfs/dbraw/zinc/32/03/26/1375320326.db2.gz PLEJRQRZOGMZFE-CWHLKURSSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001132380232 1375341508 /nfs/dbraw/zinc/34/15/08/1375341508.db2.gz HDEPOSIDSLWTDM-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1)C1CCC1 ZINC001226819334 1375342054 /nfs/dbraw/zinc/34/20/54/1375342054.db2.gz ZREYUPNGNHLHOD-RTBURBONSA-N 2 1 335.536 3.068 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001226891863 1375353696 /nfs/dbraw/zinc/35/36/96/1375353696.db2.gz VNCVDFKZQVHBIF-IPMKNSEASA-N 2 1 337.552 3.458 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2c(C)cccc2C)C1 ZINC001132410706 1375359491 /nfs/dbraw/zinc/35/94/91/1375359491.db2.gz NADOOFHAKUFQJX-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2c(C)cccc2C)C1 ZINC001132410706 1375359495 /nfs/dbraw/zinc/35/94/95/1375359495.db2.gz NADOOFHAKUFQJX-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2c(C)cccc2C)C1 ZINC001132410706 1375359502 /nfs/dbraw/zinc/35/95/02/1375359502.db2.gz NADOOFHAKUFQJX-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132411054 1375359738 /nfs/dbraw/zinc/35/97/38/1375359738.db2.gz SFVIJBKZAIOAPO-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001132411054 1375359744 /nfs/dbraw/zinc/35/97/44/1375359744.db2.gz SFVIJBKZAIOAPO-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001132411054 1375359749 /nfs/dbraw/zinc/35/97/49/1375359749.db2.gz SFVIJBKZAIOAPO-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001132411356 1375360236 /nfs/dbraw/zinc/36/02/36/1375360236.db2.gz YKIFHAYLUQYGMF-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132411356 1375360240 /nfs/dbraw/zinc/36/02/40/1375360240.db2.gz YKIFHAYLUQYGMF-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132411356 1375360248 /nfs/dbraw/zinc/36/02/48/1375360248.db2.gz YKIFHAYLUQYGMF-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CC2)C1 ZINC001132420283 1375369733 /nfs/dbraw/zinc/36/97/33/1375369733.db2.gz PZJIRFJQJYPKMV-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC001227091457 1375388607 /nfs/dbraw/zinc/38/86/07/1375388607.db2.gz NMJZGTUEHNKUBP-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)C ZINC001227149725 1375397621 /nfs/dbraw/zinc/39/76/21/1375397621.db2.gz DLRHFNMNNKUQDM-IAGOWNOFSA-N 2 1 325.541 3.170 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CC(C)C ZINC001227150621 1375397653 /nfs/dbraw/zinc/39/76/53/1375397653.db2.gz WQEKIXYWHBTFOV-KZNAEPCWSA-N 2 1 339.568 3.416 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC001227218353 1375407801 /nfs/dbraw/zinc/40/78/01/1375407801.db2.gz UXDUHOAQEALUOX-RTBURBONSA-N 2 1 349.563 3.457 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1CC[NH+](C[C@@H](C)CC)CC1 ZINC001227464420 1375433101 /nfs/dbraw/zinc/43/31/01/1375433101.db2.gz IMERBAUQPBFKSP-JKSUJKDBSA-N 2 1 334.508 3.023 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CCC1CCCC1 ZINC001132519190 1375436692 /nfs/dbraw/zinc/43/66/92/1375436692.db2.gz UWUWVEYWKKBQJV-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CCC1CCCC1 ZINC001132519191 1375437508 /nfs/dbraw/zinc/43/75/08/1375437508.db2.gz UWUWVEYWKKBQJV-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132519474 1375437683 /nfs/dbraw/zinc/43/76/83/1375437683.db2.gz ZJRDHWWFOAVEAD-WWAPKCSDSA-N 2 1 335.536 3.188 20 0 EGADMP CCCCCC[NH+]1CCC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001227793032 1375475688 /nfs/dbraw/zinc/47/56/88/1375475688.db2.gz XJZRDFDDIJIJRX-LJQANCHMSA-N 2 1 337.552 3.410 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001228138859 1375520090 /nfs/dbraw/zinc/52/00/90/1375520090.db2.gz YNFYZTPSTPMGBQ-IPMKNSEASA-N 2 1 337.552 3.316 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC2CCCC2)C1 ZINC001228604036 1375612825 /nfs/dbraw/zinc/61/28/25/1375612825.db2.gz WDOSROOTQBUWBK-DFQSSKMNSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132941213 1375660663 /nfs/dbraw/zinc/66/06/63/1375660663.db2.gz HZCQAIYHJSGSIV-SJORKVTESA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C/CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001229544989 1375853296 /nfs/dbraw/zinc/85/32/96/1375853296.db2.gz OYOBPQRZMPZRIQ-UVEXCMSLSA-N 2 1 347.547 3.330 20 0 EGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)CC2)c(C)c1 ZINC001327148615 1388406783 /nfs/dbraw/zinc/40/67/83/1388406783.db2.gz UQRRWOAGGJQWCC-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133274494 1375888501 /nfs/dbraw/zinc/88/85/01/1375888501.db2.gz IYMLSAKRKKHALN-ROUUACIJSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133274492 1375889254 /nfs/dbraw/zinc/88/92/54/1375889254.db2.gz IYMLSAKRKKHALN-MSOLQXFVSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(F)cc1 ZINC001229877740 1375910347 /nfs/dbraw/zinc/91/03/47/1375910347.db2.gz ZJUBLGLUEPTXEQ-ATZDWAIDSA-N 2 1 349.494 3.246 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133347211 1375935839 /nfs/dbraw/zinc/93/58/39/1375935839.db2.gz UVLBTVAUCDZIPY-ROUUACIJSA-N 2 1 339.568 3.227 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001230538554 1376062058 /nfs/dbraw/zinc/06/20/58/1376062058.db2.gz VVHXZJBLWTYKNG-WEPWYQGCSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001230538554 1376062066 /nfs/dbraw/zinc/06/20/66/1376062066.db2.gz VVHXZJBLWTYKNG-WEPWYQGCSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001230538554 1376062077 /nfs/dbraw/zinc/06/20/77/1376062077.db2.gz VVHXZJBLWTYKNG-WEPWYQGCSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592034 1376090497 /nfs/dbraw/zinc/09/04/97/1376090497.db2.gz QCJNWGAPPFMTTK-XJDXJNMNSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001230597953 1376092966 /nfs/dbraw/zinc/09/29/66/1376092966.db2.gz ARLFVEDHJGFNQG-RLFQVEEXSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610475 1376099308 /nfs/dbraw/zinc/09/93/08/1376099308.db2.gz BZEBFSDTGWJYPK-AQWUKCDYSA-N 2 1 349.563 3.388 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)c1ccc(C(C)(C)C)cc1 ZINC001133823598 1376219497 /nfs/dbraw/zinc/21/94/97/1376219497.db2.gz KIMZPQBBRXPPCM-IAGOWNOFSA-N 2 1 345.531 3.235 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001327187105 1388429962 /nfs/dbraw/zinc/42/99/62/1388429962.db2.gz AQEBHHUHUBNYNQ-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001327187105 1388429965 /nfs/dbraw/zinc/42/99/65/1388429965.db2.gz AQEBHHUHUBNYNQ-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001327187105 1388429971 /nfs/dbraw/zinc/42/99/71/1388429971.db2.gz AQEBHHUHUBNYNQ-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CCOc1ccc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001231658105 1376297177 /nfs/dbraw/zinc/29/71/77/1376297177.db2.gz UGQXDUZRUHLVFX-HXUWFJFHSA-N 2 1 339.483 3.434 20 0 EGADMP Cc1cc(CN2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cnc1F ZINC001231927555 1376353260 /nfs/dbraw/zinc/35/32/60/1376353260.db2.gz CTKFJZMDOQKOSN-CALCHBBNSA-N 2 1 329.419 3.076 20 0 EGADMP Cc1cc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc(C)n1 ZINC001231996878 1376376045 /nfs/dbraw/zinc/37/60/45/1376376045.db2.gz IBKCDRTWNFTQHI-HDICACEKSA-N 2 1 327.497 3.324 20 0 EGADMP Cc1cc(C[N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)cc(C)n1 ZINC001231996878 1376376049 /nfs/dbraw/zinc/37/60/49/1376376049.db2.gz IBKCDRTWNFTQHI-HDICACEKSA-N 2 1 327.497 3.324 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)cc(C)n1 ZINC001231996878 1376376054 /nfs/dbraw/zinc/37/60/54/1376376054.db2.gz IBKCDRTWNFTQHI-HDICACEKSA-N 2 1 327.497 3.324 20 0 EGADMP Nc1ccc(F)cc1CN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001232509906 1376471982 /nfs/dbraw/zinc/47/19/82/1376471982.db2.gz YANSLYGAJVZFBZ-GASCZTMLSA-N 2 1 331.460 3.033 20 0 EGADMP CCC[N@@H+]1C[C@H]2CN(Cc3cnc(OC)c4ccccc34)C[C@H]2C1 ZINC001232950494 1376545545 /nfs/dbraw/zinc/54/55/45/1376545545.db2.gz GNYVRMPCXGTPFT-CALCHBBNSA-N 2 1 325.456 3.017 20 0 EGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cnc(OC)c4ccccc34)C[C@@H]2C1 ZINC001232950494 1376545559 /nfs/dbraw/zinc/54/55/59/1376545559.db2.gz GNYVRMPCXGTPFT-CALCHBBNSA-N 2 1 325.456 3.017 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cnc(OC)c4ccccc34)C[C@@H]2C1 ZINC001232950494 1376545573 /nfs/dbraw/zinc/54/55/73/1376545573.db2.gz GNYVRMPCXGTPFT-CALCHBBNSA-N 2 1 325.456 3.017 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cnc(OC)c4ccccc34)C[C@@H]2C1 ZINC001232950494 1376545583 /nfs/dbraw/zinc/54/55/83/1376545583.db2.gz GNYVRMPCXGTPFT-CALCHBBNSA-N 2 1 325.456 3.017 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cnc(OC)c4ccccc34)C[C@@H]2C1 ZINC001232950494 1376545595 /nfs/dbraw/zinc/54/55/95/1376545595.db2.gz GNYVRMPCXGTPFT-CALCHBBNSA-N 2 1 325.456 3.017 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1O ZINC001233232147 1376593903 /nfs/dbraw/zinc/59/39/03/1376593903.db2.gz YUDJSCGGARYFNU-UXHICEINSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1O ZINC001233232147 1376593910 /nfs/dbraw/zinc/59/39/10/1376593910.db2.gz YUDJSCGGARYFNU-UXHICEINSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1O ZINC001233232147 1376593916 /nfs/dbraw/zinc/59/39/16/1376593916.db2.gz YUDJSCGGARYFNU-UXHICEINSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1O ZINC001233232147 1376593924 /nfs/dbraw/zinc/59/39/24/1376593924.db2.gz YUDJSCGGARYFNU-UXHICEINSA-N 2 1 337.467 3.050 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001233337985 1376621900 /nfs/dbraw/zinc/62/19/00/1376621900.db2.gz ZRXZFCOYWPNOPJ-SJORKVTESA-N 2 1 345.487 3.417 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001233337985 1376621905 /nfs/dbraw/zinc/62/19/05/1376621905.db2.gz ZRXZFCOYWPNOPJ-SJORKVTESA-N 2 1 345.487 3.417 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001233337985 1376621909 /nfs/dbraw/zinc/62/19/09/1376621909.db2.gz ZRXZFCOYWPNOPJ-SJORKVTESA-N 2 1 345.487 3.417 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]C/C=C\c1ccccc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134607736 1376622384 /nfs/dbraw/zinc/62/23/84/1376622384.db2.gz KUDHBXXHRVVLLO-GCGULEOZSA-N 2 1 343.515 3.057 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]Cc1ccc(CF)cc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608638 1376623551 /nfs/dbraw/zinc/62/35/51/1376623551.db2.gz YEHCMWRZHXEJPP-JKSUJKDBSA-N 2 1 349.494 3.013 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001134765980 1376709942 /nfs/dbraw/zinc/70/99/42/1376709942.db2.gz BRHCHTAGHYDLAZ-UYAOXDASSA-N 2 1 345.531 3.333 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C ZINC001134773138 1376713970 /nfs/dbraw/zinc/71/39/70/1376713970.db2.gz LSHCMHADIJVRGC-IAGOWNOFSA-N 2 1 333.520 3.098 20 0 EGADMP CCc1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134773351 1376714259 /nfs/dbraw/zinc/71/42/59/1376714259.db2.gz NXTLMXYKRMIARZ-IRXDYDNUSA-N 2 1 347.547 3.352 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]C/C=C\Cl)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134790400 1376723081 /nfs/dbraw/zinc/72/30/81/1376723081.db2.gz BUTCQIMIPRTQNF-TYJMOYENSA-N 2 1 343.943 3.265 20 0 EGADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](C[C@H]1CC=CCC1)CC2 ZINC001235020005 1376827974 /nfs/dbraw/zinc/82/79/74/1376827974.db2.gz CGRGSQAIUOOWOF-KRWDZBQOSA-N 2 1 326.484 3.488 20 0 EGADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038170 1376836522 /nfs/dbraw/zinc/83/65/22/1376836522.db2.gz DJJFKZUZEIBDEL-JXFKEZNVSA-N 2 1 330.472 3.202 20 0 EGADMP CCCCCOc1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235039396 1376838102 /nfs/dbraw/zinc/83/81/02/1376838102.db2.gz ZOONNJSMKRYVTM-UYAOXDASSA-N 2 1 332.488 3.066 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135028326 1376857174 /nfs/dbraw/zinc/85/71/74/1376857174.db2.gz FVZGNJUJBDNLRK-CVEARBPZSA-N 2 1 348.535 3.281 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001135029596 1376857296 /nfs/dbraw/zinc/85/72/96/1376857296.db2.gz PBWQBIMTBBEGRO-HOTGVXAUSA-N 2 1 334.508 3.035 20 0 EGADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427564 1376869970 /nfs/dbraw/zinc/86/99/70/1376869970.db2.gz MELBOJLOLLKKKW-RTBURBONSA-N 2 1 330.472 3.075 20 0 EGADMP CC[N@@H+](Cc1c(OC)cc(OC)c2ccccc21)C1CC[NH2+]CC1 ZINC001235764521 1376890232 /nfs/dbraw/zinc/89/02/32/1376890232.db2.gz ILMOTKMOLLVFOB-UHFFFAOYSA-N 2 1 328.456 3.431 20 0 EGADMP c1ccc(C[C@H]2C[NH2+]CCN2C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001235846954 1376900610 /nfs/dbraw/zinc/90/06/10/1376900610.db2.gz AMPKTWGEQWPTEO-PKTZIBPZSA-N 2 1 349.522 3.025 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1OC1CCCC1 ZINC001235942862 1376919971 /nfs/dbraw/zinc/91/99/71/1376919971.db2.gz YJLVJWRIXSIQPW-IAGOWNOFSA-N 2 1 330.472 3.058 20 0 EGADMP COc1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1OC1CCCC1 ZINC001235942862 1376919976 /nfs/dbraw/zinc/91/99/76/1376919976.db2.gz YJLVJWRIXSIQPW-IAGOWNOFSA-N 2 1 330.472 3.058 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(CN2CC[NH2+]C[C@@H]2c2cccs2)cc1 ZINC001236114823 1376933450 /nfs/dbraw/zinc/93/34/50/1376933450.db2.gz OPVSSZJMTBSGDV-GOSISDBHSA-N 2 1 338.480 3.389 20 0 EGADMP CCC[N@@H+](Cc1ccc(OC)c(OCC2CC2)c1)C1CC[NH2+]CC1 ZINC001236181795 1376939346 /nfs/dbraw/zinc/93/93/46/1376939346.db2.gz GAKRLEHAHLUFBA-UHFFFAOYSA-N 2 1 332.488 3.448 20 0 EGADMP CC1(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC[NH2+]CC1 ZINC001236240313 1376944168 /nfs/dbraw/zinc/94/41/68/1376944168.db2.gz NAFRGSHAMDYBHT-QFIPXVFZSA-N 3 1 341.543 3.364 20 0 EGADMP CC1(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC[NH2+]CC1 ZINC001236240313 1376944171 /nfs/dbraw/zinc/94/41/71/1376944171.db2.gz NAFRGSHAMDYBHT-QFIPXVFZSA-N 3 1 341.543 3.364 20 0 EGADMP CC1(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC[NH2+]CC1 ZINC001236240313 1376944174 /nfs/dbraw/zinc/94/41/74/1376944174.db2.gz NAFRGSHAMDYBHT-QFIPXVFZSA-N 3 1 341.543 3.364 20 0 EGADMP CC1(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC[NH2+]CC1 ZINC001236240313 1376944181 /nfs/dbraw/zinc/94/41/81/1376944181.db2.gz NAFRGSHAMDYBHT-QFIPXVFZSA-N 2 1 341.543 3.364 20 0 EGADMP CC1(C[N@H+]2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC[NH2+]CC1 ZINC001236240313 1376944185 /nfs/dbraw/zinc/94/41/85/1376944185.db2.gz NAFRGSHAMDYBHT-QFIPXVFZSA-N 2 1 341.543 3.364 20 0 EGADMP COc1ccccc1C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236701363 1376962404 /nfs/dbraw/zinc/96/24/04/1376962404.db2.gz RFCVYYKTHOVDQY-MISYRCLQSA-N 3 1 345.531 3.157 20 0 EGADMP CCC[N@@H+](Cc1cccc2cnc(SCC)n21)C[C@@H]1CC[NH2+]C1 ZINC001236844972 1376965874 /nfs/dbraw/zinc/96/58/74/1376965874.db2.gz YDKCTZONOREGJW-OAHLLOKOSA-N 2 1 332.517 3.268 20 0 EGADMP CCC[N@H+](Cc1cccc2cnc(SCC)n21)C[C@@H]1CC[NH2+]C1 ZINC001236844972 1376965885 /nfs/dbraw/zinc/96/58/85/1376965885.db2.gz YDKCTZONOREGJW-OAHLLOKOSA-N 2 1 332.517 3.268 20 0 EGADMP CCC[N@H+](Cc1ccc(-n2cccn2)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236843862 1376966785 /nfs/dbraw/zinc/96/67/85/1376966785.db2.gz RTWZOUDNWCGWAF-MRXNPFEDSA-N 2 1 332.879 3.347 20 0 EGADMP Cc1ccc(SC[C@@H](C)[NH2+][C@H]2CCCC[C@@]23C[NH2+]CCO3)cc1 ZINC001246159185 1377050282 /nfs/dbraw/zinc/05/02/82/1377050282.db2.gz JCLSIVUDPSMGFI-NZSAHSFTSA-N 2 1 334.529 3.366 20 0 EGADMP CC(C)[C@H]1C[C@H]([NH2+]Cc2cccc(N3CCCCCC3=O)c2)CC[NH2+]1 ZINC001246382245 1377051581 /nfs/dbraw/zinc/05/15/81/1377051581.db2.gz BGHGEHNEGPVRJW-UYAOXDASSA-N 2 1 343.515 3.460 20 0 EGADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246544984 1377052296 /nfs/dbraw/zinc/05/22/96/1377052296.db2.gz FNBZEQIDEOCFFN-UHFFFAOYSA-N 2 1 330.472 3.202 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@H+](C2CCN(c3ccccc3Cl)CC2)CC1 ZINC001246546923 1377052415 /nfs/dbraw/zinc/05/24/15/1377052415.db2.gz HNZGOZOTDYLWHT-GOSISDBHSA-N 2 1 339.886 3.462 20 0 EGADMP COC(=O)C1CCC([N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246937489 1377056158 /nfs/dbraw/zinc/05/61/58/1377056158.db2.gz PDSQVXBDNZSTKM-NKELODKYSA-N 2 1 348.462 3.112 20 0 EGADMP COC(=O)C1CCC([N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246937489 1377056161 /nfs/dbraw/zinc/05/61/61/1377056161.db2.gz PDSQVXBDNZSTKM-NKELODKYSA-N 2 1 348.462 3.112 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC/C=C\c1ccccc1 ZINC001135437108 1377096590 /nfs/dbraw/zinc/09/65/90/1377096590.db2.gz NOPPVIPFXNORKC-ZROIWOOFSA-N 2 1 345.531 3.308 20 0 EGADMP CC[N@@H+]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[NH+](C)CC1 ZINC001254530076 1377106767 /nfs/dbraw/zinc/10/67/67/1377106767.db2.gz UPMFWLMHGNUQGE-DLBZAZTESA-N 2 1 339.524 3.192 20 0 EGADMP CC[NH+]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C)CC1 ZINC001254530076 1377106770 /nfs/dbraw/zinc/10/67/70/1377106770.db2.gz UPMFWLMHGNUQGE-DLBZAZTESA-N 2 1 339.524 3.192 20 0 EGADMP CC[NH+]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254530076 1377106773 /nfs/dbraw/zinc/10/67/73/1377106773.db2.gz UPMFWLMHGNUQGE-DLBZAZTESA-N 2 1 339.524 3.192 20 0 EGADMP Cn1c2ccccc2nc1C1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254527398 1377107011 /nfs/dbraw/zinc/10/70/11/1377107011.db2.gz XSCHHTIQNPDTKC-KRWDZBQOSA-N 2 1 326.488 3.237 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135475553 1377110176 /nfs/dbraw/zinc/11/01/76/1377110176.db2.gz CEFMXAZREWEKSC-QZTJIDSGSA-N 2 1 349.563 3.482 20 0 EGADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+]([C@@H](C)CCC(C)C)CCC2 ZINC001256365773 1377111655 /nfs/dbraw/zinc/11/16/55/1377111655.db2.gz SUGYEMSUSQPZON-KRWDZBQOSA-N 2 1 348.535 3.116 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC1CCC1 ZINC001135583835 1377155172 /nfs/dbraw/zinc/15/51/72/1377155172.db2.gz FZOUPNKOJXCPCD-SJORKVTESA-N 2 1 348.535 3.460 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135586154 1377155686 /nfs/dbraw/zinc/15/56/86/1377155686.db2.gz XHSNKWZUZKAJPY-JKSUJKDBSA-N 2 1 336.524 3.316 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135860552 1377238147 /nfs/dbraw/zinc/23/81/47/1377238147.db2.gz DKVTUEDZAQWWTP-ROUUACIJSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135974472 1377283953 /nfs/dbraw/zinc/28/39/53/1377283953.db2.gz PTYKKYWOEDNLHE-OALUTQOASA-N 2 1 347.547 3.408 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001135995159 1377291848 /nfs/dbraw/zinc/29/18/48/1377291848.db2.gz AEIKYSGTXXHJRY-IAGOWNOFSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001135995153 1377291875 /nfs/dbraw/zinc/29/18/75/1377291875.db2.gz AAEPVMZJXMVFEN-RTBURBONSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C ZINC001135995585 1377292333 /nfs/dbraw/zinc/29/23/33/1377292333.db2.gz IDBXBALQVLERBM-ZWKOTPCHSA-N 2 1 333.520 3.100 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(CC)cc1 ZINC001135996354 1377292357 /nfs/dbraw/zinc/29/23/57/1377292357.db2.gz RSIBTRWGNSBJQF-MSOLQXFVSA-N 2 1 347.547 3.354 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](CCCC(C)(C)C)C2)c1 ZINC001266361001 1377295815 /nfs/dbraw/zinc/29/58/15/1377295815.db2.gz HKNFPDTUHNWHRZ-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP Cc1ccccc1C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266858298 1377397968 /nfs/dbraw/zinc/39/79/68/1377397968.db2.gz RZBPQNGPPXDXBF-VQTJNVASSA-N 2 1 345.531 3.052 20 0 EGADMP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@H](C)c1ccc(Cl)cc1 ZINC001267256450 1377433703 /nfs/dbraw/zinc/43/37/03/1377433703.db2.gz XFVCKQZBMLBCBM-CQSZACIVSA-N 2 1 348.878 3.044 20 0 EGADMP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@H](C)c1ccc(Cl)cc1 ZINC001267256450 1377433705 /nfs/dbraw/zinc/43/37/05/1377433705.db2.gz XFVCKQZBMLBCBM-CQSZACIVSA-N 2 1 348.878 3.044 20 0 EGADMP CC(C)C[N@@H+](C)CC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001267604035 1377463899 /nfs/dbraw/zinc/46/38/99/1377463899.db2.gz HWJYUIKXRHKYBH-UHFFFAOYSA-N 2 1 345.531 3.188 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001267789548 1377469020 /nfs/dbraw/zinc/46/90/20/1377469020.db2.gz IWYLLTGDHNUJTE-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC001267789548 1377469024 /nfs/dbraw/zinc/46/90/24/1377469024.db2.gz IWYLLTGDHNUJTE-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC001267789548 1377469025 /nfs/dbraw/zinc/46/90/25/1377469025.db2.gz IWYLLTGDHNUJTE-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(-n2ccnn2)cc1 ZINC001137368107 1377533792 /nfs/dbraw/zinc/53/37/92/1377533792.db2.gz DOZNOATVFHROMK-VQTJNVASSA-N 2 1 339.487 3.106 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2ccnn2)cc1 ZINC001137368107 1377533795 /nfs/dbraw/zinc/53/37/95/1377533795.db2.gz DOZNOATVFHROMK-VQTJNVASSA-N 2 1 339.487 3.106 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc(-n2ccnn2)cc1 ZINC001137368107 1377533798 /nfs/dbraw/zinc/53/37/98/1377533798.db2.gz DOZNOATVFHROMK-VQTJNVASSA-N 2 1 339.487 3.106 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)ccn1 ZINC001137411601 1377543158 /nfs/dbraw/zinc/54/31/58/1377543158.db2.gz GOHPDHNXMWFIJN-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP COC(=O)c1ccc2c(CN3CCC([N@@H+](C)C4CC4)CC3)c[nH]c2c1 ZINC001138267562 1377696313 /nfs/dbraw/zinc/69/63/13/1377696313.db2.gz RNPKFNUMMVOBSV-UHFFFAOYSA-N 2 1 341.455 3.013 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(Oc3ncccn3)CC2)cc1 ZINC001138547779 1377740067 /nfs/dbraw/zinc/74/00/67/1377740067.db2.gz VDLBNUOFARFHES-UHFFFAOYSA-N 2 1 349.438 3.014 20 0 EGADMP CCCCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138552179 1377740443 /nfs/dbraw/zinc/74/04/43/1377740443.db2.gz YLMAXOOQDCIJNF-GOSISDBHSA-N 2 1 341.455 3.346 20 0 EGADMP CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138552179 1377740446 /nfs/dbraw/zinc/74/04/46/1377740446.db2.gz YLMAXOOQDCIJNF-GOSISDBHSA-N 2 1 341.455 3.346 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc(Oc4ncccn4)c3)C2)CC1 ZINC001138621060 1377754811 /nfs/dbraw/zinc/75/48/11/1377754811.db2.gz JILYDJDRGPUJPI-UHFFFAOYSA-N 2 1 338.455 3.187 20 0 EGADMP CCCn1cc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)cn1 ZINC001139037291 1377820586 /nfs/dbraw/zinc/82/05/86/1377820586.db2.gz JOOHTBVAEAUQNB-UHFFFAOYSA-N 2 1 349.482 3.472 20 0 EGADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccccc1-n1cncn1 ZINC001139422117 1377881440 /nfs/dbraw/zinc/88/14/40/1377881440.db2.gz PRCCNCWRNQWGKY-UHFFFAOYSA-N 2 1 344.422 3.085 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c(C)cc1O ZINC001140199655 1378030445 /nfs/dbraw/zinc/03/04/45/1378030445.db2.gz XJGVHLRLVOGADF-OAQYLSRUSA-N 2 1 346.515 3.332 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c(C)cc1O ZINC001140199655 1378030447 /nfs/dbraw/zinc/03/04/47/1378030447.db2.gz XJGVHLRLVOGADF-OAQYLSRUSA-N 2 1 346.515 3.332 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c(C)cc1O ZINC001140199655 1378030448 /nfs/dbraw/zinc/03/04/48/1378030448.db2.gz XJGVHLRLVOGADF-OAQYLSRUSA-N 2 1 346.515 3.332 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c(C)cc1O ZINC001140199655 1378030450 /nfs/dbraw/zinc/03/04/50/1378030450.db2.gz XJGVHLRLVOGADF-OAQYLSRUSA-N 2 1 346.515 3.332 20 0 EGADMP Cc1cc(C[N@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)ccc1O ZINC001140578217 1378088724 /nfs/dbraw/zinc/08/87/24/1378088724.db2.gz YMNAXJCAGNLPRW-UXHICEINSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)ccc1O ZINC001140578217 1378088725 /nfs/dbraw/zinc/08/87/25/1378088725.db2.gz YMNAXJCAGNLPRW-UXHICEINSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)ccc1O ZINC001140578217 1378088726 /nfs/dbraw/zinc/08/87/26/1378088726.db2.gz YMNAXJCAGNLPRW-UXHICEINSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)ccc1O ZINC001140578217 1378088727 /nfs/dbraw/zinc/08/87/27/1378088727.db2.gz YMNAXJCAGNLPRW-UXHICEINSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)ccc1O ZINC001140578217 1378088728 /nfs/dbraw/zinc/08/87/28/1378088728.db2.gz YMNAXJCAGNLPRW-UXHICEINSA-N 2 1 337.467 3.050 20 0 EGADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(F)ccc1C)C2 ZINC001140591060 1378092164 /nfs/dbraw/zinc/09/21/64/1378092164.db2.gz PTSTVJLGKKKLBF-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(F)ccc1C)C2 ZINC001140591060 1378092168 /nfs/dbraw/zinc/09/21/68/1378092168.db2.gz PTSTVJLGKKKLBF-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(F)ccc1C)C2 ZINC001140591060 1378092172 /nfs/dbraw/zinc/09/21/72/1378092172.db2.gz PTSTVJLGKKKLBF-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(F)ccc1C)C2 ZINC001140591060 1378092174 /nfs/dbraw/zinc/09/21/74/1378092174.db2.gz PTSTVJLGKKKLBF-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP CCCC[C@@H](CC)C[NH2+][C@@]12CC[C@@](NC(=O)C[NH+]3CCC3)(C1)CCC2 ZINC001273362467 1378098953 /nfs/dbraw/zinc/09/89/53/1378098953.db2.gz BKPWUGRIGXVWKG-HLAWJBBLSA-N 2 1 349.563 3.460 20 0 EGADMP CC1CC(C[N@H+](C)CCCN(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001273591620 1378105373 /nfs/dbraw/zinc/10/53/73/1378105373.db2.gz YCNVABNFHZXXIC-QLOJAFMTSA-N 2 1 345.531 3.116 20 0 EGADMP CC1CC(C[N@@H+](C)CCCN(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001273591620 1378105374 /nfs/dbraw/zinc/10/53/74/1378105374.db2.gz YCNVABNFHZXXIC-QLOJAFMTSA-N 2 1 345.531 3.116 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc(CO)o1)CC2 ZINC001140680130 1378112662 /nfs/dbraw/zinc/11/26/62/1378112662.db2.gz PKJAGJKGKSVANP-IBGZPJMESA-N 2 1 344.455 3.242 20 0 EGADMP CC(C)[N@H+](CCNC(=O)OC(C)(C)C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140804809 1378143078 /nfs/dbraw/zinc/14/30/78/1378143078.db2.gz GCGWQEQSZAZUNK-UHFFFAOYSA-N 2 1 332.448 3.298 20 0 EGADMP CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140804809 1378143079 /nfs/dbraw/zinc/14/30/79/1378143079.db2.gz GCGWQEQSZAZUNK-UHFFFAOYSA-N 2 1 332.448 3.298 20 0 EGADMP CCn1ccnc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC001275866744 1378160038 /nfs/dbraw/zinc/16/00/38/1378160038.db2.gz SMYUTJGXDRSFSJ-UHFFFAOYSA-N 2 1 344.528 3.453 20 0 EGADMP CCn1ccnc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC001275866744 1378160040 /nfs/dbraw/zinc/16/00/40/1378160040.db2.gz SMYUTJGXDRSFSJ-UHFFFAOYSA-N 2 1 344.528 3.453 20 0 EGADMP CC[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1)[NH+](CC)CC ZINC001140895871 1378174395 /nfs/dbraw/zinc/17/43/95/1378174395.db2.gz HKYUAWPNFODAEF-ICSRJNTNSA-N 2 1 345.531 3.087 20 0 EGADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](C[C@H]1CCCOC1)CC2 ZINC001276717610 1378184552 /nfs/dbraw/zinc/18/45/52/1378184552.db2.gz AFMUSRKHJUPJOE-QGZVFWFLSA-N 2 1 349.544 3.166 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cscc3Br)C[C@H]2CC1 ZINC001276873273 1378190484 /nfs/dbraw/zinc/19/04/84/1378190484.db2.gz SSCAZCTYBYKDAK-TXEJJXNPSA-N 2 1 329.307 3.284 20 0 EGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cscc3Br)C[C@H]2CC1 ZINC001276873273 1378190487 /nfs/dbraw/zinc/19/04/87/1378190487.db2.gz SSCAZCTYBYKDAK-TXEJJXNPSA-N 2 1 329.307 3.284 20 0 EGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cscc3Br)C[C@H]2CC1 ZINC001276873273 1378190492 /nfs/dbraw/zinc/19/04/92/1378190492.db2.gz SSCAZCTYBYKDAK-TXEJJXNPSA-N 2 1 329.307 3.284 20 0 EGADMP CC1CC(C[N@@H+](CCNC(=O)[C@H]2CC[NH+](C)C2)C2CCCCCC2)C1 ZINC001277382099 1378221391 /nfs/dbraw/zinc/22/13/91/1378221391.db2.gz GEMFYLKDONMFDY-ACBHZAAOSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CC(C[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C2)C2CCCCCC2)C1 ZINC001277382099 1378221397 /nfs/dbraw/zinc/22/13/97/1378221397.db2.gz GEMFYLKDONMFDY-ACBHZAAOSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CC(C[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C2CCCCCC2)C1 ZINC001277382099 1378221402 /nfs/dbraw/zinc/22/14/02/1378221402.db2.gz GEMFYLKDONMFDY-ACBHZAAOSA-N 2 1 349.563 3.125 20 0 EGADMP CN(C)c1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001141259217 1378285287 /nfs/dbraw/zinc/28/52/87/1378285287.db2.gz HOAAXMWATIKCIE-HDICACEKSA-N 2 1 341.524 3.378 20 0 EGADMP CN(C)c1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001141259217 1378285296 /nfs/dbraw/zinc/28/52/96/1378285296.db2.gz HOAAXMWATIKCIE-HDICACEKSA-N 2 1 341.524 3.378 20 0 EGADMP CN(C)c1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001141259217 1378285303 /nfs/dbraw/zinc/28/53/03/1378285303.db2.gz HOAAXMWATIKCIE-HDICACEKSA-N 2 1 341.524 3.378 20 0 EGADMP CN(C)c1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001141259217 1378285307 /nfs/dbraw/zinc/28/53/07/1378285307.db2.gz HOAAXMWATIKCIE-HDICACEKSA-N 2 1 341.524 3.378 20 0 EGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1coc3ccc(F)cc13)CC2 ZINC001141851569 1378385335 /nfs/dbraw/zinc/38/53/35/1378385335.db2.gz WDKXUKDBMJSJNZ-UHFFFAOYSA-N 2 1 331.391 3.202 20 0 EGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001142185282 1378419054 /nfs/dbraw/zinc/41/90/54/1378419054.db2.gz UKFYZOQJOUYVCZ-UHFFFAOYSA-N 2 1 341.503 3.281 20 0 EGADMP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4ccnc5[nH]ccc54)C[C@H]3C2)c1 ZINC001142874556 1378501444 /nfs/dbraw/zinc/50/14/44/1378501444.db2.gz XZQFXTPQOWFLDJ-HOTGVXAUSA-N 2 1 338.480 3.188 20 0 EGADMP C[N@H+]1CC[C@]2(CCN(Cc3cc(F)cc(OC(F)(F)F)c3)C2)C1 ZINC001143263111 1378571700 /nfs/dbraw/zinc/57/17/00/1378571700.db2.gz VFWIMHSYHGWWFN-HNNXBMFYSA-N 2 1 332.341 3.252 20 0 EGADMP C[N@H+](Cc1cc(OC(F)(F)F)ccc1F)CC1CC[NH+](C)CC1 ZINC001143542520 1378613346 /nfs/dbraw/zinc/61/33/46/1378613346.db2.gz DRILJFCJQUNJKV-UHFFFAOYSA-N 2 1 334.357 3.498 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001146592687 1378873108 /nfs/dbraw/zinc/87/31/08/1378873108.db2.gz KKNUOHGEIWFFIC-HZPDHXFCSA-N 2 1 345.487 3.146 20 0 EGADMP Cc1ccc(CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001146590805 1378873954 /nfs/dbraw/zinc/87/39/54/1378873954.db2.gz BBOGUEFFQCSVLN-RBUKOAKNSA-N 2 1 347.547 3.141 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001146594463 1378874904 /nfs/dbraw/zinc/87/49/04/1378874904.db2.gz SQONJWSRQVBSJQ-SJORKVTESA-N 2 1 339.568 3.416 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccccc1 ZINC001147359379 1379009024 /nfs/dbraw/zinc/00/90/24/1379009024.db2.gz PZLYTKNHCFSBFB-MJGOQNOKSA-N 2 1 331.504 3.108 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccccc1 ZINC001147359377 1379009097 /nfs/dbraw/zinc/00/90/97/1379009097.db2.gz PZLYTKNHCFSBFB-HKUYNNGSSA-N 2 1 331.504 3.108 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH2+]CCC1=CCCCC1)c1ccccc1 ZINC001147456950 1379025389 /nfs/dbraw/zinc/02/53/89/1379025389.db2.gz AJWJCQKGHZEYQL-FQEVSTJZSA-N 2 1 343.515 3.276 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001147841064 1379089193 /nfs/dbraw/zinc/08/91/93/1379089193.db2.gz JHYWFGLZDFHEIF-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001147841064 1379089197 /nfs/dbraw/zinc/08/91/97/1379089197.db2.gz JHYWFGLZDFHEIF-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001147841064 1379089200 /nfs/dbraw/zinc/08/92/00/1379089200.db2.gz JHYWFGLZDFHEIF-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001148611887 1379225887 /nfs/dbraw/zinc/22/58/87/1379225887.db2.gz RASKJXZWPZPLJZ-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP CCCC[NH+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)C2)C1 ZINC001148611887 1379225888 /nfs/dbraw/zinc/22/58/88/1379225888.db2.gz RASKJXZWPZPLJZ-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP CCCC[NH+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001148611887 1379225889 /nfs/dbraw/zinc/22/58/89/1379225889.db2.gz RASKJXZWPZPLJZ-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001148819990 1379275627 /nfs/dbraw/zinc/27/56/27/1379275627.db2.gz SFZHFYKKEDHZOC-HDICACEKSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2 ZINC001148819990 1379275629 /nfs/dbraw/zinc/27/56/29/1379275629.db2.gz SFZHFYKKEDHZOC-HDICACEKSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC2(C1)CC[N@@H+](CCCC(C)(C)C)C2 ZINC001148819990 1379275631 /nfs/dbraw/zinc/27/56/31/1379275631.db2.gz SFZHFYKKEDHZOC-HDICACEKSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313649 1380054219 /nfs/dbraw/zinc/05/42/19/1380054219.db2.gz UTBSKUBNJJFETK-QZTJIDSGSA-N 2 1 325.541 3.122 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153312956 1380053463 /nfs/dbraw/zinc/05/34/63/1380053463.db2.gz NZIIILDNTPRVIK-AEFFLSMTSA-N 2 1 337.552 3.122 20 0 EGADMP CC[NH+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153312956 1380053468 /nfs/dbraw/zinc/05/34/68/1380053468.db2.gz NZIIILDNTPRVIK-AEFFLSMTSA-N 2 1 337.552 3.122 20 0 EGADMP CC[NH+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153312956 1380053474 /nfs/dbraw/zinc/05/34/74/1380053474.db2.gz NZIIILDNTPRVIK-AEFFLSMTSA-N 2 1 337.552 3.122 20 0 EGADMP CC[NH+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153313649 1380054221 /nfs/dbraw/zinc/05/42/21/1380054221.db2.gz UTBSKUBNJJFETK-QZTJIDSGSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153313649 1380054224 /nfs/dbraw/zinc/05/42/24/1380054224.db2.gz UTBSKUBNJJFETK-QZTJIDSGSA-N 2 1 325.541 3.122 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153368368 1380066238 /nfs/dbraw/zinc/06/62/38/1380066238.db2.gz KXIJHDLRGFYXOW-QGZVFWFLSA-N 2 1 325.541 3.268 20 0 EGADMP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153819227 1380136923 /nfs/dbraw/zinc/13/69/23/1380136923.db2.gz SYXJTAOTQDZCKW-CVEARBPZSA-N 2 1 334.508 3.023 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153819227 1380136925 /nfs/dbraw/zinc/13/69/25/1380136925.db2.gz SYXJTAOTQDZCKW-CVEARBPZSA-N 2 1 334.508 3.023 20 0 EGADMP CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001153819425 1380136930 /nfs/dbraw/zinc/13/69/30/1380136930.db2.gz YYAYARRCXGEDKJ-APWZRJJASA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CCC1CC1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001153819425 1380136933 /nfs/dbraw/zinc/13/69/33/1380136933.db2.gz YYAYARRCXGEDKJ-APWZRJJASA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CCC1CC1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001153819425 1380136935 /nfs/dbraw/zinc/13/69/35/1380136935.db2.gz YYAYARRCXGEDKJ-APWZRJJASA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153823812 1380137815 /nfs/dbraw/zinc/13/78/15/1380137815.db2.gz AGTBPPIELWHJBB-APWZRJJASA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153891203 1380149920 /nfs/dbraw/zinc/14/99/20/1380149920.db2.gz QRTQHODZIJVGMR-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153891203 1380149921 /nfs/dbraw/zinc/14/99/21/1380149921.db2.gz QRTQHODZIJVGMR-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153891203 1380149922 /nfs/dbraw/zinc/14/99/22/1380149922.db2.gz QRTQHODZIJVGMR-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](CC[C@@H](C)F)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099956 1380207590 /nfs/dbraw/zinc/20/75/90/1380207590.db2.gz WAGFYVMFZKASIJ-HZPDHXFCSA-N 2 1 343.531 3.214 20 0 EGADMP CC[NH+](CC[C@@H](C)F)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001154099956 1380207594 /nfs/dbraw/zinc/20/75/94/1380207594.db2.gz WAGFYVMFZKASIJ-HZPDHXFCSA-N 2 1 343.531 3.214 20 0 EGADMP CC[NH+](CC[C@@H](C)F)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001154099956 1380207597 /nfs/dbraw/zinc/20/75/97/1380207597.db2.gz WAGFYVMFZKASIJ-HZPDHXFCSA-N 2 1 343.531 3.214 20 0 EGADMP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904225 1380374639 /nfs/dbraw/zinc/37/46/39/1380374639.db2.gz QGKLDDCFHMJDJB-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@@H+](Cc1ccc(C(C)(C)C)cc1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999070 1380387856 /nfs/dbraw/zinc/38/78/56/1380387856.db2.gz BAXSHRAKEZHRDM-QGZVFWFLSA-N 2 1 347.547 3.262 20 0 EGADMP CC[N@@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263648 1380430194 /nfs/dbraw/zinc/43/01/94/1380430194.db2.gz UYEMOEADCIKAJJ-ZWKOTPCHSA-N 2 1 341.584 3.473 20 0 EGADMP CC[NH+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001155263648 1380430195 /nfs/dbraw/zinc/43/01/95/1380430195.db2.gz UYEMOEADCIKAJJ-ZWKOTPCHSA-N 2 1 341.584 3.473 20 0 EGADMP CC[NH+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001155263648 1380430196 /nfs/dbraw/zinc/43/01/96/1380430196.db2.gz UYEMOEADCIKAJJ-ZWKOTPCHSA-N 2 1 341.584 3.473 20 0 EGADMP CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001155611863 1380473425 /nfs/dbraw/zinc/47/34/25/1380473425.db2.gz IYJZQQXJJIODBQ-RTBURBONSA-N 2 1 345.531 3.278 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001155619917 1380474962 /nfs/dbraw/zinc/47/49/62/1380474962.db2.gz CAEZHWRATWHXQS-MSOLQXFVSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](CCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001155619917 1380474965 /nfs/dbraw/zinc/47/49/65/1380474965.db2.gz CAEZHWRATWHXQS-MSOLQXFVSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](CCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001155619917 1380474967 /nfs/dbraw/zinc/47/49/67/1380474967.db2.gz CAEZHWRATWHXQS-MSOLQXFVSA-N 2 1 325.541 3.122 20 0 EGADMP CC[C@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155838746 1380497952 /nfs/dbraw/zinc/49/79/52/1380497952.db2.gz DHTSWUHSWRIFPF-DLBZAZTESA-N 2 1 333.520 3.235 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)NC[C@@H](C)[N@@H+](CC)C/C=C\Cl ZINC001156318450 1380557172 /nfs/dbraw/zinc/55/71/72/1380557172.db2.gz BDNMQKFUDBWYJD-FPISAVPCSA-N 2 1 345.959 3.468 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cncc(Br)c2)C1 ZINC001328083709 1388666087 /nfs/dbraw/zinc/66/60/87/1388666087.db2.gz DYOXMQFUUSSXQB-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cncc(Br)c2)C1 ZINC001328083709 1388666090 /nfs/dbraw/zinc/66/60/90/1388666090.db2.gz DYOXMQFUUSSXQB-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP Cn1ccc2c1cc[nH+]c2NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001156388722 1380569971 /nfs/dbraw/zinc/56/99/71/1380569971.db2.gz KEIISBLDCIQHKZ-UHFFFAOYSA-N 2 1 336.439 3.018 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CCC1CCCCC1 ZINC001156524826 1380588095 /nfs/dbraw/zinc/58/80/95/1380588095.db2.gz CXHQZNBOZFSWCU-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CCC1CCCCC1 ZINC001156524826 1380588096 /nfs/dbraw/zinc/58/80/96/1380588096.db2.gz CXHQZNBOZFSWCU-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CCC1CCCCC1 ZINC001156524826 1380588097 /nfs/dbraw/zinc/58/80/97/1380588097.db2.gz CXHQZNBOZFSWCU-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCOC(=O)c1c[nH]c2cc(NCCC[N@H+]3CCCC[C@H]3C)[nH+]cc21 ZINC001156927477 1380730922 /nfs/dbraw/zinc/73/09/22/1380730922.db2.gz FCACKCKRSRBUMN-CQSZACIVSA-N 2 1 344.459 3.416 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157086200 1380772048 /nfs/dbraw/zinc/77/20/48/1380772048.db2.gz IFOZYJYVKCOURQ-QGZVFWFLSA-N 2 1 345.531 3.379 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157118684 1380779932 /nfs/dbraw/zinc/77/99/32/1380779932.db2.gz KREIGQVODHFCCT-IEBWSBKVSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157119370 1380781355 /nfs/dbraw/zinc/78/13/55/1380781355.db2.gz VUINCJWEMXCQBN-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001157893216 1381063252 /nfs/dbraw/zinc/06/32/52/1381063252.db2.gz BDQHSBBRPBBYGB-UYAOXDASSA-N 2 1 345.531 3.333 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)(C)C)C1CCC1 ZINC001158090249 1381124790 /nfs/dbraw/zinc/12/47/90/1381124790.db2.gz QISAJEIWFJBSIM-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001158090249 1381124793 /nfs/dbraw/zinc/12/47/93/1381124793.db2.gz QISAJEIWFJBSIM-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001158090249 1381124795 /nfs/dbraw/zinc/12/47/95/1381124795.db2.gz QISAJEIWFJBSIM-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158100205 1381127478 /nfs/dbraw/zinc/12/74/78/1381127478.db2.gz XTSQUEVJHLKSLM-SFHVURJKSA-N 2 1 337.552 3.173 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH2+]CCC1CCCC1 ZINC001158356982 1381215448 /nfs/dbraw/zinc/21/54/48/1381215448.db2.gz YJENJBYIFCMCKF-INIZCTEOSA-N 2 1 334.508 3.073 20 0 EGADMP CC[C@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001158385459 1381227606 /nfs/dbraw/zinc/22/76/06/1381227606.db2.gz JDKIFYOHUDGETC-CADBVGFASA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@H](C)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001158385459 1381227612 /nfs/dbraw/zinc/22/76/12/1381227612.db2.gz JDKIFYOHUDGETC-CADBVGFASA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@H](C)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001158385459 1381227618 /nfs/dbraw/zinc/22/76/18/1381227618.db2.gz JDKIFYOHUDGETC-CADBVGFASA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@@H](C)c2cc(C)ccc2C)CC[N@H+]1C ZINC001158412935 1381237166 /nfs/dbraw/zinc/23/71/66/1381237166.db2.gz TYZQRRPTHIRCQJ-CMKODMSKSA-N 2 1 345.531 3.191 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)(C)C)[NH+](C)C ZINC001158486651 1381264000 /nfs/dbraw/zinc/26/40/00/1381264000.db2.gz FXSJAJHJLJAOCI-SJORKVTESA-N 2 1 325.541 3.076 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@H]1C ZINC001158472516 1381255189 /nfs/dbraw/zinc/25/51/89/1381255189.db2.gz ANMGIKJNYJUQRQ-RTBURBONSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1C ZINC001158472516 1381255195 /nfs/dbraw/zinc/25/51/95/1381255195.db2.gz ANMGIKJNYJUQRQ-RTBURBONSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1C ZINC001158472516 1381255197 /nfs/dbraw/zinc/25/51/97/1381255197.db2.gz ANMGIKJNYJUQRQ-RTBURBONSA-N 2 1 337.552 3.364 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CCC1CCCC1 ZINC001158473361 1381256189 /nfs/dbraw/zinc/25/61/89/1381256189.db2.gz JWMHIAPDYBTYIT-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CCCC1 ZINC001158473361 1381256194 /nfs/dbraw/zinc/25/61/94/1381256194.db2.gz JWMHIAPDYBTYIT-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CCCC1 ZINC001158473361 1381256200 /nfs/dbraw/zinc/25/62/00/1381256200.db2.gz JWMHIAPDYBTYIT-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H](F)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480751 1381260482 /nfs/dbraw/zinc/26/04/82/1381260482.db2.gz PSULJWKYMHKZKA-IAGOWNOFSA-N 2 1 343.531 3.025 20 0 EGADMP CC[C@@H](F)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001158480751 1381260485 /nfs/dbraw/zinc/26/04/85/1381260485.db2.gz PSULJWKYMHKZKA-IAGOWNOFSA-N 2 1 343.531 3.025 20 0 EGADMP CC[C@@H](F)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001158480751 1381260491 /nfs/dbraw/zinc/26/04/91/1381260491.db2.gz PSULJWKYMHKZKA-IAGOWNOFSA-N 2 1 343.531 3.025 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001158481138 1381261821 /nfs/dbraw/zinc/26/18/21/1381261821.db2.gz ZVHVICCIXKYJEB-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001158481138 1381261826 /nfs/dbraw/zinc/26/18/26/1381261826.db2.gz ZVHVICCIXKYJEB-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001158481138 1381261828 /nfs/dbraw/zinc/26/18/28/1381261828.db2.gz ZVHVICCIXKYJEB-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001158689227 1381355150 /nfs/dbraw/zinc/35/51/50/1381355150.db2.gz FAKZRZIASZJKAK-LJQANCHMSA-N 2 1 337.552 3.076 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)Cc1ccccc1C ZINC001158704562 1381360877 /nfs/dbraw/zinc/36/08/77/1381360877.db2.gz QBZQLYJGGRFTBV-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccccc1C ZINC001158704562 1381360883 /nfs/dbraw/zinc/36/08/83/1381360883.db2.gz QBZQLYJGGRFTBV-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccccc1C ZINC001158704562 1381360887 /nfs/dbraw/zinc/36/08/87/1381360887.db2.gz QBZQLYJGGRFTBV-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)[C@@H](C)c1ccccc1 ZINC001158714646 1381363408 /nfs/dbraw/zinc/36/34/08/1381363408.db2.gz XVYWEGZDNGSQBY-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1ccccc1 ZINC001158714646 1381363412 /nfs/dbraw/zinc/36/34/12/1381363412.db2.gz XVYWEGZDNGSQBY-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001158714646 1381363418 /nfs/dbraw/zinc/36/34/18/1381363418.db2.gz XVYWEGZDNGSQBY-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC001158714517 1381363673 /nfs/dbraw/zinc/36/36/73/1381363673.db2.gz REZRURXYNDLFMX-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCCC1 ZINC001158714517 1381363678 /nfs/dbraw/zinc/36/36/78/1381363678.db2.gz REZRURXYNDLFMX-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCCC1 ZINC001158714517 1381363684 /nfs/dbraw/zinc/36/36/84/1381363684.db2.gz REZRURXYNDLFMX-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP C[N@@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158751563 1381382477 /nfs/dbraw/zinc/38/24/77/1381382477.db2.gz YKRHTRGNOMZMTL-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001158751563 1381382481 /nfs/dbraw/zinc/38/24/81/1381382481.db2.gz YKRHTRGNOMZMTL-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001158751563 1381382485 /nfs/dbraw/zinc/38/24/85/1381382485.db2.gz YKRHTRGNOMZMTL-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC001158787238 1381398852 /nfs/dbraw/zinc/39/88/52/1381398852.db2.gz OBJINGCLWNAKRY-LJQANCHMSA-N 2 1 335.536 3.142 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC001158787238 1381398859 /nfs/dbraw/zinc/39/88/59/1381398859.db2.gz OBJINGCLWNAKRY-LJQANCHMSA-N 2 1 335.536 3.142 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC001158787238 1381398870 /nfs/dbraw/zinc/39/88/70/1381398870.db2.gz OBJINGCLWNAKRY-LJQANCHMSA-N 2 1 335.536 3.142 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001159334184 1381767777 /nfs/dbraw/zinc/76/77/77/1381767777.db2.gz ACFATXSGVDEMEN-VLUHHTHFSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001159910325 1381934082 /nfs/dbraw/zinc/93/40/82/1381934082.db2.gz QLUSSSDKDIVCDQ-IBGZPJMESA-N 2 1 337.552 3.316 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001159909807 1381934295 /nfs/dbraw/zinc/93/42/95/1381934295.db2.gz NOSQYLAWKAYJHK-PMACEKPBSA-N 2 1 345.531 3.497 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]Cc1ccc(CF)cc1 ZINC001159908207 1381934695 /nfs/dbraw/zinc/93/46/95/1381934695.db2.gz GYTFOKACMUAISI-IBGZPJMESA-N 2 1 349.494 3.015 20 0 EGADMP Nc1cccc(F)c1N(CC1CC[NH2+]CC1)c1ccc2[nH]c[nH+]c2c1 ZINC001160123519 1382004383 /nfs/dbraw/zinc/00/43/83/1382004383.db2.gz DCLHADXXCJEBNL-UHFFFAOYSA-N 2 1 339.418 3.422 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001160273802 1382058402 /nfs/dbraw/zinc/05/84/02/1382058402.db2.gz OGLNLVLNJGEUBI-OZVOWOKYSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160359852 1382082030 /nfs/dbraw/zinc/08/20/30/1382082030.db2.gz CYWSAROXZKECCG-GOSISDBHSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160568474 1382145810 /nfs/dbraw/zinc/14/58/10/1382145810.db2.gz VUJZALWBHKPMLS-FQEVSTJZSA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160568474 1382145812 /nfs/dbraw/zinc/14/58/12/1382145812.db2.gz VUJZALWBHKPMLS-FQEVSTJZSA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160568474 1382145814 /nfs/dbraw/zinc/14/58/14/1382145814.db2.gz VUJZALWBHKPMLS-FQEVSTJZSA-N 2 1 347.547 3.211 20 0 EGADMP CCC[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001160786676 1382196062 /nfs/dbraw/zinc/19/60/62/1382196062.db2.gz CTWCHSZFZLIQGY-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160804182 1382201561 /nfs/dbraw/zinc/20/15/61/1382201561.db2.gz CVVNPHKVPXQUGI-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP [NH3+]CCc1cn(C(F)(F)Oc2ccc(Cl)nc2)c2cc[nH+]cc12 ZINC001160945781 1382247203 /nfs/dbraw/zinc/24/72/03/1382247203.db2.gz LZRKXJZRXAWHLW-UHFFFAOYSA-N 2 1 338.745 3.172 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)CC[NH2+]1 ZINC001161015943 1382272868 /nfs/dbraw/zinc/27/28/68/1382272868.db2.gz MSBXQRGFVNGQQO-CRAIPNDOSA-N 2 1 349.906 3.077 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161021296 1382275682 /nfs/dbraw/zinc/27/56/82/1382275682.db2.gz NHTPLZMBKGARID-VOTSOKGWSA-N 2 1 347.547 3.213 20 0 EGADMP C[NH+](C)CCCC(=O)NCCC1=CC[N@@H+](CC2CCCCC2)CC1 ZINC001161037274 1382279808 /nfs/dbraw/zinc/27/98/08/1382279808.db2.gz XADNLTGDLCBRFI-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP C[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CC2CCC3(CC3)CC2)CC1 ZINC001161106971 1382299826 /nfs/dbraw/zinc/29/98/26/1382299826.db2.gz SLGJPXVWFRJQDN-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161205698 1382341031 /nfs/dbraw/zinc/34/10/31/1382341031.db2.gz FTGAYEHDMWBLGQ-YKMDAGRBSA-N 2 1 347.547 3.069 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001161205698 1382341035 /nfs/dbraw/zinc/34/10/35/1382341035.db2.gz FTGAYEHDMWBLGQ-YKMDAGRBSA-N 2 1 347.547 3.069 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001161205698 1382341037 /nfs/dbraw/zinc/34/10/37/1382341037.db2.gz FTGAYEHDMWBLGQ-YKMDAGRBSA-N 2 1 347.547 3.069 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001161208056 1382341817 /nfs/dbraw/zinc/34/18/17/1382341817.db2.gz YXHCHXXBQYYNSM-RTBURBONSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001161208056 1382341821 /nfs/dbraw/zinc/34/18/21/1382341821.db2.gz YXHCHXXBQYYNSM-RTBURBONSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001161208056 1382341826 /nfs/dbraw/zinc/34/18/26/1382341826.db2.gz YXHCHXXBQYYNSM-RTBURBONSA-N 2 1 349.563 3.291 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc2ccccc2c1 ZINC001161226388 1382348974 /nfs/dbraw/zinc/34/89/74/1382348974.db2.gz GINBZFJZQWNWKX-UHFFFAOYSA-N 2 1 341.499 3.166 20 0 EGADMP CC[C@@H](C(=O)NCCC1=CC[N@@H+](CCCC2CCCC2)CC1)[NH+](C)C ZINC001161231255 1382349603 /nfs/dbraw/zinc/34/96/03/1382349603.db2.gz UUHMVPXVHJKDJF-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)cc1C ZINC001161643739 1382468452 /nfs/dbraw/zinc/46/84/52/1382468452.db2.gz ALIWSQIUMGKVRF-HXUWFJFHSA-N 2 1 345.531 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001161753210 1382494904 /nfs/dbraw/zinc/49/49/04/1382494904.db2.gz IISNORXXTQNOQQ-LJQANCHMSA-N 2 1 329.488 3.485 20 0 EGADMP [NH3+]C1CC[NH+](CCNc2cc(Cl)nc3cc(Cl)ccc32)CC1 ZINC001161867364 1382535220 /nfs/dbraw/zinc/53/52/20/1382535220.db2.gz GFSFXFWUSXPWCL-UHFFFAOYSA-N 2 1 339.270 3.377 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161925020 1382555774 /nfs/dbraw/zinc/55/57/74/1382555774.db2.gz UFUNUMRUJYGELU-ROUUACIJSA-N 2 1 335.536 3.188 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161938426 1382561901 /nfs/dbraw/zinc/56/19/01/1382561901.db2.gz MEEHMSGFOPIDSW-SFHVURJKSA-N 2 1 335.536 3.047 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161993451 1382592721 /nfs/dbraw/zinc/59/27/21/1382592721.db2.gz BFFNJPYAUZQNPZ-UHFFFAOYSA-N 2 1 335.536 3.191 20 0 EGADMP C[C@@H]1C[C@@H](CNc2nccc3c2CC[N@@H+](Cc2ccccc2)C3)C[NH2+]1 ZINC001162552716 1382787016 /nfs/dbraw/zinc/78/70/16/1382787016.db2.gz PEYJXNFDVHPDIU-SJLPKXTDSA-N 2 1 336.483 3.050 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC[C@]2(F)CCCC[NH2+]C2)nc1 ZINC001162580606 1382798093 /nfs/dbraw/zinc/79/80/93/1382798093.db2.gz VUJPXEDASWAQEK-LPHOPBHVSA-N 2 1 334.483 3.350 20 0 EGADMP Brc1ccc2[nH+]ccc(N[C@@]34CCC[C@@H]3[NH2+]CC4)c2c1 ZINC001162982660 1382936300 /nfs/dbraw/zinc/93/63/00/1382936300.db2.gz GOKFROKACYJLAZ-JKSUJKDBSA-N 2 1 332.245 3.116 20 0 EGADMP Cc1cc(C)c2[nH+]c(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)cc(C)c2c1 ZINC001163310592 1383018665 /nfs/dbraw/zinc/01/86/65/1383018665.db2.gz MOHNLVIJBHTORM-UZLBHIALSA-N 2 1 325.456 3.483 20 0 EGADMP CC[N@H+]1CC=C(c2cnc(NCCn3cc[nH+]c3C)c(C)c2)CC1 ZINC001163919684 1383135772 /nfs/dbraw/zinc/13/57/72/1383135772.db2.gz JVEDSWWOFYGGHL-UHFFFAOYSA-N 2 1 325.460 3.116 20 0 EGADMP CC[N@@H+]1CC=C(c2cnc(NCCn3cc[nH+]c3C)c(C)c2)CC1 ZINC001163919684 1383135773 /nfs/dbraw/zinc/13/57/73/1383135773.db2.gz JVEDSWWOFYGGHL-UHFFFAOYSA-N 2 1 325.460 3.116 20 0 EGADMP CCC[N@@H+]1CCC[C@H](C(=O)Nc2c[nH+]ccc2Nc2ccccc2)C1 ZINC001164238806 1383169949 /nfs/dbraw/zinc/16/99/49/1383169949.db2.gz CDLNBOREXKPQJJ-INIZCTEOSA-N 2 1 338.455 3.308 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)Nc2c[nH+]ccc2Nc2ccccc2)C1 ZINC001164238806 1383169951 /nfs/dbraw/zinc/16/99/51/1383169951.db2.gz CDLNBOREXKPQJJ-INIZCTEOSA-N 2 1 338.455 3.308 20 0 EGADMP C[C@H]([NH3+])c1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC001164499130 1383193887 /nfs/dbraw/zinc/19/38/87/1383193887.db2.gz LQOUEBARONKRNU-ICSUOEFDSA-N 2 1 336.483 3.424 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164515156 1383195287 /nfs/dbraw/zinc/19/52/87/1383195287.db2.gz WNXQRVMDCLDRPK-OOFWQKGWSA-N 2 1 335.536 3.092 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC1(C[NH2+]CC2CCC2)CC1 ZINC001164578884 1383201111 /nfs/dbraw/zinc/20/11/11/1383201111.db2.gz XFZCOKJNAZXBPP-MRXNPFEDSA-N 2 1 346.519 3.073 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)C[C@@H]32)cc1 ZINC001165082901 1383224459 /nfs/dbraw/zinc/22/44/59/1383224459.db2.gz FFKFLYCWYNFIET-FPOVZHCZSA-N 2 1 348.494 3.393 20 0 EGADMP COc1ccc2c(C)cc(N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)[nH+]c2c1 ZINC001165434269 1383296308 /nfs/dbraw/zinc/29/63/08/1383296308.db2.gz QVYRVFARYXBHKO-CJNGLKHVSA-N 2 1 329.419 3.065 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001165729074 1383334495 /nfs/dbraw/zinc/33/44/95/1383334495.db2.gz YKKADFQLIYIYIJ-FPXQDXNASA-N 2 1 347.547 3.236 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165735550 1383334909 /nfs/dbraw/zinc/33/49/09/1383334909.db2.gz CPAQADDGAVMQKS-QZTJIDSGSA-N 2 1 335.536 3.070 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001165737251 1383335964 /nfs/dbraw/zinc/33/59/64/1383335964.db2.gz QTHVSQSTCHLADW-RBUKOAKNSA-N 2 1 349.563 3.460 20 0 EGADMP CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165926849 1383366081 /nfs/dbraw/zinc/36/60/81/1383366081.db2.gz GUALLDPZSYOTMF-ROUUACIJSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1 ZINC001165926862 1383366271 /nfs/dbraw/zinc/36/62/71/1383366271.db2.gz HFCSJIWCJJMAHI-ACBHZAAOSA-N 2 1 349.563 3.029 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NCCC2(C[NH2+]CC3CCCCC3)CC2)C1 ZINC001167240776 1383573353 /nfs/dbraw/zinc/57/33/53/1383573353.db2.gz SHZGIFFOYKZLPN-UHFFFAOYSA-N 2 1 349.563 3.175 20 0 EGADMP C[NH+](C)CC[C@H](c1ccc(N[C@H]2CC[N@@H+](C)C2)cc1)c1ccccn1 ZINC001167278176 1383583224 /nfs/dbraw/zinc/58/32/24/1383583224.db2.gz AWDFHJDJLWOGDC-VQTJNVASSA-N 2 1 338.499 3.281 20 0 EGADMP CCc1ccccc1C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167626726 1383692809 /nfs/dbraw/zinc/69/28/09/1383692809.db2.gz GHFFNNXSMBIWOA-HXUWFJFHSA-N 2 1 345.531 3.108 20 0 EGADMP Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c(C)c1 ZINC001167635237 1383694273 /nfs/dbraw/zinc/69/42/73/1383694273.db2.gz MCFULBLKHFLSAZ-HXUWFJFHSA-N 2 1 345.531 3.162 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(F)ccc2C)[C@@H](C)C1 ZINC001167683810 1383709246 /nfs/dbraw/zinc/70/92/46/1383709246.db2.gz BXPWDBNHGMQAGF-YJBOKZPZSA-N 2 1 335.467 3.125 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cc(F)ccc2C)[C@@H](C)C1 ZINC001167683810 1383709249 /nfs/dbraw/zinc/70/92/49/1383709249.db2.gz BXPWDBNHGMQAGF-YJBOKZPZSA-N 2 1 335.467 3.125 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc(F)ccc2C)[C@@H](C)C1 ZINC001167683810 1383709252 /nfs/dbraw/zinc/70/92/52/1383709252.db2.gz BXPWDBNHGMQAGF-YJBOKZPZSA-N 2 1 335.467 3.125 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC001167685228 1383709898 /nfs/dbraw/zinc/70/98/98/1383709898.db2.gz IWFMGEJECDTSGM-RRQGHBQHSA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC001167685228 1383709903 /nfs/dbraw/zinc/70/99/03/1383709903.db2.gz IWFMGEJECDTSGM-RRQGHBQHSA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC001167685228 1383709906 /nfs/dbraw/zinc/70/99/06/1383709906.db2.gz IWFMGEJECDTSGM-RRQGHBQHSA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H]2OCCC[C@@]2(COC)C1 ZINC001167821052 1383748846 /nfs/dbraw/zinc/74/88/46/1383748846.db2.gz AEZYGCYXCQQQID-FHWLQOOXSA-N 2 1 326.525 3.014 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCN(c2ncccc2C)CC1 ZINC001167826983 1383750470 /nfs/dbraw/zinc/75/04/70/1383750470.db2.gz SOJRZVUWEBAYHZ-IBGZPJMESA-N 2 1 332.536 3.413 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](Oc2nccnc2C)C1 ZINC001167833918 1383753165 /nfs/dbraw/zinc/75/31/65/1383753165.db2.gz FWAPGLVZNQOYAO-WMZOPIPTSA-N 2 1 334.508 3.139 20 0 EGADMP COc1ccccc1-n1cnc2cc(NC(=[NH2+])SCC[NH3+])ccc21 ZINC001167915945 1383769341 /nfs/dbraw/zinc/76/93/41/1383769341.db2.gz MKTLEZHZVRYJFZ-UHFFFAOYSA-N 2 1 341.440 3.073 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+]([C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167940909 1383773912 /nfs/dbraw/zinc/77/39/12/1383773912.db2.gz YZTBJZKILSREJW-MHORFTMASA-N 2 1 330.472 3.133 20 0 EGADMP Oc1ccc2c(c1)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167970965 1383782674 /nfs/dbraw/zinc/78/26/74/1383782674.db2.gz QZJSSJKXEJRXFH-XUBOLADHSA-N 2 1 326.484 3.245 20 0 EGADMP CC(C)(C)OC(=O)NCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167978220 1383784786 /nfs/dbraw/zinc/78/47/86/1383784786.db2.gz MUMZLOBWKYSIKN-ALOPSCKCSA-N 2 1 349.519 3.039 20 0 EGADMP c1ccc(C[C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)nc1 ZINC001167996116 1383791965 /nfs/dbraw/zinc/79/19/65/1383791965.db2.gz WVHVKMSYUZBQAM-CBQMWWCCSA-N 2 1 325.500 3.494 20 0 EGADMP c1ccc(C[C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)nc1 ZINC001167996116 1383791969 /nfs/dbraw/zinc/79/19/69/1383791969.db2.gz WVHVKMSYUZBQAM-CBQMWWCCSA-N 2 1 325.500 3.494 20 0 EGADMP c1ccc(C[C@@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)nc1 ZINC001167996116 1383791972 /nfs/dbraw/zinc/79/19/72/1383791972.db2.gz WVHVKMSYUZBQAM-CBQMWWCCSA-N 2 1 325.500 3.494 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCN2CCC(F)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168025304 1383799367 /nfs/dbraw/zinc/79/93/67/1383799367.db2.gz JHLGILHKWPSCBN-RMFSNUHRSA-N 2 1 347.522 3.452 20 0 EGADMP C[C@@H]1C[C@@H](NCC[NH+]2CCC(F)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168025304 1383799373 /nfs/dbraw/zinc/79/93/73/1383799373.db2.gz JHLGILHKWPSCBN-RMFSNUHRSA-N 2 1 347.522 3.452 20 0 EGADMP C[C@@H]1C[C@@H](NCC[NH+]2CCC(F)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168025304 1383799375 /nfs/dbraw/zinc/79/93/75/1383799375.db2.gz JHLGILHKWPSCBN-RMFSNUHRSA-N 2 1 347.522 3.452 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COC(C)(C)O2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023903 1383799466 /nfs/dbraw/zinc/79/94/66/1383799466.db2.gz ZAPYNOTZFJIHKZ-UKBAYJJMSA-N 2 1 332.488 3.169 20 0 EGADMP C[C@@H]1C[C@@H](NC2(C(=O)N(C)C)CCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033303 1383801250 /nfs/dbraw/zinc/80/12/50/1383801250.db2.gz KQFKJORREIMOPD-IZZQQSIFSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2(C(=O)N(C)C)CCC2)C[C@H](C)N1Cc1ccccc1 ZINC001168033303 1383801252 /nfs/dbraw/zinc/80/12/52/1383801252.db2.gz KQFKJORREIMOPD-IZZQQSIFSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2(C(=O)N(C)C)CCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168033303 1383801255 /nfs/dbraw/zinc/80/12/55/1383801255.db2.gz KQFKJORREIMOPD-IZZQQSIFSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2(C(=O)N(C)C)CCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033303 1383801256 /nfs/dbraw/zinc/80/12/56/1383801256.db2.gz KQFKJORREIMOPD-IZZQQSIFSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168039688 1383802260 /nfs/dbraw/zinc/80/22/60/1383802260.db2.gz HFAUTGWWZRIZNV-CEQLMSFQSA-N 2 1 329.532 3.454 20 0 EGADMP COCC[NH+](CCOC)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168041330 1383803571 /nfs/dbraw/zinc/80/35/71/1383803571.db2.gz RXVPHWQTXMCNRP-QZTJIDSGSA-N 2 1 334.504 3.023 20 0 EGADMP C[C@@H]1C[C@@H](N2CCc3[nH+]ccn3CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168061559 1383806780 /nfs/dbraw/zinc/80/67/80/1383806780.db2.gz ISGACQNGXGOESC-OPVJXMOQSA-N 2 1 338.499 3.183 20 0 EGADMP C[C@@H]1C[C@@H](N2CCc3[nH+]ccn3CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168061559 1383806783 /nfs/dbraw/zinc/80/67/83/1383806783.db2.gz ISGACQNGXGOESC-OPVJXMOQSA-N 2 1 338.499 3.183 20 0 EGADMP CCOC(=O)CC[N@@H+](C)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168064719 1383808195 /nfs/dbraw/zinc/80/81/95/1383808195.db2.gz RLQOZKVXLPGESE-IZZQQSIFSA-N 2 1 332.488 3.313 20 0 EGADMP CCOC(=O)CC[NH+](C)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168064719 1383808200 /nfs/dbraw/zinc/80/82/00/1383808200.db2.gz RLQOZKVXLPGESE-IZZQQSIFSA-N 2 1 332.488 3.313 20 0 EGADMP CCOC(=O)CC[NH+](C)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168064719 1383808202 /nfs/dbraw/zinc/80/82/02/1383808202.db2.gz RLQOZKVXLPGESE-IZZQQSIFSA-N 2 1 332.488 3.313 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CCO1 ZINC001168128031 1383823768 /nfs/dbraw/zinc/82/37/68/1383823768.db2.gz MBJBAGXMHXWRMT-LXDWIVHCSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CCO1 ZINC001168128031 1383823771 /nfs/dbraw/zinc/82/37/71/1383823771.db2.gz MBJBAGXMHXWRMT-LXDWIVHCSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CCO1 ZINC001168128031 1383823775 /nfs/dbraw/zinc/82/37/75/1383823775.db2.gz MBJBAGXMHXWRMT-LXDWIVHCSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CCO1 ZINC001168128031 1383823780 /nfs/dbraw/zinc/82/37/80/1383823780.db2.gz MBJBAGXMHXWRMT-LXDWIVHCSA-N 2 1 343.515 3.181 20 0 EGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1ccc(Cl)cc1 ZINC001168179350 1383835793 /nfs/dbraw/zinc/83/57/93/1383835793.db2.gz JJSHZFYDUNBAJA-OAHLLOKOSA-N 2 1 340.895 3.088 20 0 EGADMP C[NH+](C)C1CCC([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CC1 ZINC001168322407 1383872483 /nfs/dbraw/zinc/87/24/83/1383872483.db2.gz AXVNXVBMCYCZKO-UHFFFAOYSA-N 3 1 345.531 3.440 20 0 EGADMP COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)C1CCC([NH+](C)C)CC1 ZINC001168328300 1383874467 /nfs/dbraw/zinc/87/44/67/1383874467.db2.gz DPUOZUMPWZJDLL-IVMQYODDSA-N 2 1 332.488 3.313 20 0 EGADMP CC[C@H]([NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC001168344940 1383879058 /nfs/dbraw/zinc/87/90/58/1383879058.db2.gz GODLHLQNUWYQCI-IBGZPJMESA-N 2 1 345.531 3.354 20 0 EGADMP CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168344386 1383879106 /nfs/dbraw/zinc/87/91/06/1383879106.db2.gz APNHKQVRYZEDGB-HKUYNNGSSA-N 2 1 345.531 3.212 20 0 EGADMP COc1ccccc1C1([NH2+]C2CC[NH+](CC3CC3)CC2)CCOCC1 ZINC001168365445 1383884149 /nfs/dbraw/zinc/88/41/49/1383884149.db2.gz RSZVBRDHVAFXMH-UHFFFAOYSA-N 2 1 344.499 3.165 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001168607127 1383947120 /nfs/dbraw/zinc/94/71/20/1383947120.db2.gz PMWVPYWRCOJVFX-MRXNPFEDSA-N 2 1 347.494 3.030 20 0 EGADMP CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001307726197 1384019983 /nfs/dbraw/zinc/01/99/83/1384019983.db2.gz WEGRZPBZCHLJAM-NRFANRHFSA-N 2 1 346.515 3.300 20 0 EGADMP CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001307726197 1384019990 /nfs/dbraw/zinc/01/99/90/1384019990.db2.gz WEGRZPBZCHLJAM-NRFANRHFSA-N 2 1 346.515 3.300 20 0 EGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC001307783529 1384030832 /nfs/dbraw/zinc/03/08/32/1384030832.db2.gz IGQUTGWSAFVPPC-FQEVSTJZSA-N 2 1 332.532 3.476 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC001307783529 1384030838 /nfs/dbraw/zinc/03/08/38/1384030838.db2.gz IGQUTGWSAFVPPC-FQEVSTJZSA-N 2 1 332.532 3.476 20 0 EGADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001169079308 1384103968 /nfs/dbraw/zinc/10/39/68/1384103968.db2.gz RAUAWTFZLJCUJX-FDFHNCONSA-N 2 1 343.559 3.354 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C)C2 ZINC001169081291 1384103994 /nfs/dbraw/zinc/10/39/94/1384103994.db2.gz PZGMOSSMTBLYHM-UUAJXVIYSA-N 2 1 337.508 3.037 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@]13CCC[C@@H]1N(C(=O)OC(C)(C)C)CC3)C2 ZINC001169096898 1384106346 /nfs/dbraw/zinc/10/63/46/1384106346.db2.gz ZLWUNMOJUQCHJM-SAGLZJIZSA-N 2 1 349.519 3.133 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)c(F)c1)C2 ZINC001169099129 1384106707 /nfs/dbraw/zinc/10/67/07/1384106707.db2.gz NUCAMRSJRSKEGW-CLLJXQQHSA-N 2 1 332.341 3.439 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)c(F)c1)C2 ZINC001169099129 1384106708 /nfs/dbraw/zinc/10/67/08/1384106708.db2.gz NUCAMRSJRSKEGW-CLLJXQQHSA-N 2 1 332.341 3.439 20 0 EGADMP c1cn2c(cccc2C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC001308231979 1384111095 /nfs/dbraw/zinc/11/10/95/1384111095.db2.gz OBXHZLLSBIHJMA-LJQANCHMSA-N 2 1 334.467 3.336 20 0 EGADMP COc1cc(C)ccc1OC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169146011 1384114451 /nfs/dbraw/zinc/11/44/51/1384114451.db2.gz OCHNHCIXOMLHPT-BCDXTJNWSA-N 2 1 344.499 3.472 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(C[NH+](Cc4ccccc4)C3)CC1)C2 ZINC001169155772 1384116785 /nfs/dbraw/zinc/11/67/85/1384116785.db2.gz UNXHHLSZVBCEMW-AERCQKQUSA-N 2 1 339.527 3.210 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCC1(C[NH+](C)C)CCCC1 ZINC001308365125 1384122096 /nfs/dbraw/zinc/12/20/96/1384122096.db2.gz CAWBSVUCRNRBNO-UYAOXDASSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC001308365125 1384122098 /nfs/dbraw/zinc/12/20/98/1384122098.db2.gz CAWBSVUCRNRBNO-UYAOXDASSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]Cc1ccc2c(c1)ncn2C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001308368290 1384122493 /nfs/dbraw/zinc/12/24/93/1384122493.db2.gz RDRRGXLDFIGSFT-DOTOQJQBSA-N 2 1 326.488 3.316 20 0 EGADMP CC[NH+]1CCC([NH2+]C2CCN(Cc3cc(F)ccc3C)CC2)CC1 ZINC001169237845 1384126014 /nfs/dbraw/zinc/12/60/14/1384126014.db2.gz AKODFCIJXLEUNC-UHFFFAOYSA-N 2 1 333.495 3.172 20 0 EGADMP CC[NH+]1CCC([N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC001169247033 1384127235 /nfs/dbraw/zinc/12/72/35/1384127235.db2.gz WUHMRTFIXPAFKP-HOTGVXAUSA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+]1CCC([N@H+]2C[C@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC001169247033 1384127236 /nfs/dbraw/zinc/12/72/36/1384127236.db2.gz WUHMRTFIXPAFKP-HOTGVXAUSA-N 2 1 339.524 3.096 20 0 EGADMP CCN1CCC([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC001169258235 1384128454 /nfs/dbraw/zinc/12/84/54/1384128454.db2.gz HILZYSIXKFDXOL-UHFFFAOYSA-N 2 1 341.543 3.459 20 0 EGADMP CC[NH+]1CCC([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC001169258235 1384128456 /nfs/dbraw/zinc/12/84/56/1384128456.db2.gz HILZYSIXKFDXOL-UHFFFAOYSA-N 3 1 341.543 3.459 20 0 EGADMP CC[NH+]1CCC([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC001169258235 1384128458 /nfs/dbraw/zinc/12/84/58/1384128458.db2.gz HILZYSIXKFDXOL-UHFFFAOYSA-N 3 1 341.543 3.459 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169460793 1384150504 /nfs/dbraw/zinc/15/05/04/1384150504.db2.gz ZPEDYYCVUPQVNA-BHIYHBOVSA-N 2 1 337.552 3.396 20 0 EGADMP CC1([NH2+][C@H]2CCCC3(C2)OCCO3)CC[NH+](Cc2ccccc2)CC1 ZINC001169929078 1384199658 /nfs/dbraw/zinc/19/96/58/1384199658.db2.gz XZXPHGOIOGSQFH-IBGZPJMESA-N 2 1 344.499 3.316 20 0 EGADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CC[C@@H](C)C3)CC2)c1 ZINC001170157338 1384251068 /nfs/dbraw/zinc/25/10/68/1384251068.db2.gz KKCYNKXGZYOVLW-BEFAXECRSA-N 2 1 330.472 3.216 20 0 EGADMP CCCCCC[C@H](CC)[N@H+]1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001170599638 1384347984 /nfs/dbraw/zinc/34/79/84/1384347984.db2.gz PIMLNAOICLYIHR-KRWDZBQOSA-N 2 1 344.507 3.478 20 0 EGADMP CCCCCC[C@H](CC)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001170599638 1384347987 /nfs/dbraw/zinc/34/79/87/1384347987.db2.gz PIMLNAOICLYIHR-KRWDZBQOSA-N 2 1 344.507 3.478 20 0 EGADMP COC(=[NH2+])c1cccc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c1 ZINC001170627767 1384353303 /nfs/dbraw/zinc/35/33/03/1384353303.db2.gz YAVILUNBSUOBQJ-UHFFFAOYSA-N 2 1 327.472 3.392 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](C)CC(C)C ZINC001170783848 1384384694 /nfs/dbraw/zinc/38/46/94/1384384694.db2.gz ABPODRSITWYIFP-OALUTQOASA-N 2 1 339.568 3.419 20 0 EGADMP CCC/C=C\CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001170785732 1384385165 /nfs/dbraw/zinc/38/51/65/1384385165.db2.gz WAEIEUPHINXRIM-QULHZPMSSA-N 2 1 337.552 3.483 20 0 EGADMP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170863610 1384401034 /nfs/dbraw/zinc/40/10/34/1384401034.db2.gz WHQNXNPKFBWOMO-WUYYXPQKSA-N 2 1 337.552 3.338 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001316601634 1384468412 /nfs/dbraw/zinc/46/84/12/1384468412.db2.gz HJWCUIAMYKVZBN-ROUUACIJSA-N 2 1 348.535 3.221 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001316601634 1384468414 /nfs/dbraw/zinc/46/84/14/1384468414.db2.gz HJWCUIAMYKVZBN-ROUUACIJSA-N 2 1 348.535 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1Cc1cc(C)ccc1C ZINC001316603422 1384471373 /nfs/dbraw/zinc/47/13/73/1384471373.db2.gz COCIZKZRCDZDLA-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C)ccc1C ZINC001316603422 1384471374 /nfs/dbraw/zinc/47/13/74/1384471374.db2.gz COCIZKZRCDZDLA-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C)ccc1C ZINC001316603422 1384471376 /nfs/dbraw/zinc/47/13/76/1384471376.db2.gz COCIZKZRCDZDLA-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC2CC2)C1 ZINC001171238604 1384477209 /nfs/dbraw/zinc/47/72/09/1384477209.db2.gz WJNRUSZMAWYVGY-PKOBYXMFSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171261192 1384481332 /nfs/dbraw/zinc/48/13/32/1384481332.db2.gz RLITYMWDEJBBCS-MSOLQXFVSA-N 2 1 345.531 3.497 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171331260 1384496229 /nfs/dbraw/zinc/49/62/29/1384496229.db2.gz XUSCIVRYVVBJPQ-ZWKOTPCHSA-N 2 1 325.541 3.172 20 0 EGADMP C[N@H+]1CCCC[C@@H]1c1ccc(N2c3ccccc3OC[C@@H]2C[NH3+])nc1 ZINC001171399233 1384512926 /nfs/dbraw/zinc/51/29/26/1384512926.db2.gz GTRVMHCWTQPIIL-DLBZAZTESA-N 2 1 338.455 3.096 20 0 EGADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171411958 1384516413 /nfs/dbraw/zinc/51/64/13/1384516413.db2.gz PWRHWIIHCHNDHC-MRXNPFEDSA-N 3 1 335.511 3.158 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CCCN(c3cccnc3)CC2)CC1(C)C ZINC001171640884 1384589462 /nfs/dbraw/zinc/58/94/62/1384589462.db2.gz JYPBFAZMSRYZJA-UHFFFAOYSA-N 2 1 330.520 3.245 20 0 EGADMP COC(=O)[C@H]1C[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)Cc2ccccc21 ZINC001171642736 1384590624 /nfs/dbraw/zinc/59/06/24/1384590624.db2.gz LYDWNJLAACWVPR-SFHVURJKSA-N 2 1 344.499 3.410 20 0 EGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001171646291 1384591381 /nfs/dbraw/zinc/59/13/81/1384591381.db2.gz LDFWKAPWVXMVMB-ROUUACIJSA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001171646765 1384592158 /nfs/dbraw/zinc/59/21/58/1384592158.db2.gz PHIFWAZHCXLQKE-RTBURBONSA-N 2 1 339.568 3.418 20 0 EGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@H](C)CCc1ccc(C)cc1 ZINC001171675014 1384598727 /nfs/dbraw/zinc/59/87/27/1384598727.db2.gz PEGPDNYOTMYBRM-GOSISDBHSA-N 2 1 334.504 3.133 20 0 EGADMP C[C@H]1C[C@@H](n2nc(CC[NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171733500 1384618914 /nfs/dbraw/zinc/61/89/14/1384618914.db2.gz UFGMENNNUUDPOI-FUHWJXTLSA-N 2 1 334.467 3.373 20 0 EGADMP C[C@@H]1C[C@@H](N2CCC([NH+](C)C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171758691 1384626785 /nfs/dbraw/zinc/62/67/85/1384626785.db2.gz AFOXMZDGGXQOIN-DYESRHJHSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@@H]1C[C@@H](N2CCC([N@H+](C)C3CC3)CC2)C[NH+]1Cc1ccccc1 ZINC001171758691 1384626788 /nfs/dbraw/zinc/62/67/88/1384626788.db2.gz AFOXMZDGGXQOIN-DYESRHJHSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@@H]1C[C@@H](N2CCC([N@@H+](C)C3CC3)CC2)C[NH+]1Cc1ccccc1 ZINC001171758691 1384626790 /nfs/dbraw/zinc/62/67/90/1384626790.db2.gz AFOXMZDGGXQOIN-DYESRHJHSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@H]1C[C@@H](N2CCC3(CC2)CC[NH+](C)CC3)C[N@H+]1Cc1ccccc1 ZINC001171760654 1384627603 /nfs/dbraw/zinc/62/76/03/1384627603.db2.gz YYCZKPOEDWODST-PZJWPPBQSA-N 2 1 341.543 3.457 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)c1ccccc1 ZINC001171821939 1384650910 /nfs/dbraw/zinc/65/09/10/1384650910.db2.gz QLKSLVWVTXIXNG-WMZOPIPTSA-N 2 1 342.487 3.217 20 0 EGADMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171846106 1384659747 /nfs/dbraw/zinc/65/97/47/1384659747.db2.gz RDKPGWQVMHDFQK-MRXNPFEDSA-N 2 1 339.524 3.192 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001316880969 1384666339 /nfs/dbraw/zinc/66/63/39/1384666339.db2.gz OVSRERGAALQZHQ-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CC1(C)C[C@H]([NH2+]CCCN2CCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC001171963158 1384697512 /nfs/dbraw/zinc/69/75/12/1384697512.db2.gz GYECYQXJGYEVCO-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP COC(=O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963906 1384697564 /nfs/dbraw/zinc/69/75/64/1384697564.db2.gz FUGJIOXCOIJFJF-KRWDZBQOSA-N 2 1 332.488 3.218 20 0 EGADMP CC1(C)C[C@@H]([NH2+]C[C@@H](O)c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC001171963364 1384697738 /nfs/dbraw/zinc/69/77/38/1384697738.db2.gz HQSJWBVHGKKOAK-ZWKOTPCHSA-N 2 1 328.456 3.346 20 0 EGADMP CC1(C)C[C@@H]([NH2+]C[C@@H](O)c2ccco2)CC[N@H+]1Cc1ccccc1 ZINC001171963364 1384697741 /nfs/dbraw/zinc/69/77/41/1384697741.db2.gz HQSJWBVHGKKOAK-ZWKOTPCHSA-N 2 1 328.456 3.346 20 0 EGADMP CSCC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171969561 1384698479 /nfs/dbraw/zinc/69/84/79/1384698479.db2.gz VHFHTQWFHYZJMI-MSOLQXFVSA-N 2 1 336.545 3.133 20 0 EGADMP COC(=O)C1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171981119 1384701895 /nfs/dbraw/zinc/70/18/95/1384701895.db2.gz KNJCRVDEVCLURC-LJQANCHMSA-N 2 1 344.499 3.315 20 0 EGADMP CC1(C)C[C@@H]([NH2+]Cc2cnn(CCF)c2)CC[N@@H+]1Cc1ccccc1 ZINC001171977863 1384702545 /nfs/dbraw/zinc/70/25/45/1384702545.db2.gz HOJCTYSOGNETBT-IBGZPJMESA-N 2 1 344.478 3.385 20 0 EGADMP CC1(C)C[C@@H]([NH2+]Cc2cnn(CCF)c2)CC[N@H+]1Cc1ccccc1 ZINC001171977863 1384702548 /nfs/dbraw/zinc/70/25/48/1384702548.db2.gz HOJCTYSOGNETBT-IBGZPJMESA-N 2 1 344.478 3.385 20 0 EGADMP CC1(C)OCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CO1 ZINC001171983683 1384704186 /nfs/dbraw/zinc/70/41/86/1384704186.db2.gz PLAPPZZUCSNKNC-QGZVFWFLSA-N 2 1 332.488 3.171 20 0 EGADMP CC1(C)OCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CO1 ZINC001171983683 1384704187 /nfs/dbraw/zinc/70/41/87/1384704187.db2.gz PLAPPZZUCSNKNC-QGZVFWFLSA-N 2 1 332.488 3.171 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C1CC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC001316935920 1384707125 /nfs/dbraw/zinc/70/71/25/1384707125.db2.gz SQZDPRSFQKVBOB-FQEVSTJZSA-N 2 1 345.531 3.402 20 0 EGADMP O[C@@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccco1 ZINC001172063737 1384714981 /nfs/dbraw/zinc/71/49/81/1384714981.db2.gz CDYRTHSMQPLVIH-HAGHYFMRSA-N 2 1 340.467 3.488 20 0 EGADMP CC(C)[C@](C)([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(N)=O ZINC001172066284 1384716471 /nfs/dbraw/zinc/71/64/71/1384716471.db2.gz UUSJJUWYYGJIJG-JTJHWIPRSA-N 2 1 343.515 3.062 20 0 EGADMP O[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172072354 1384717743 /nfs/dbraw/zinc/71/77/43/1384717743.db2.gz LGTDCWHWTRHQBX-ALGQRKQJSA-N 2 1 328.500 3.465 20 0 EGADMP c1nn([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2c1C[NH2+]CC2 ZINC001172068750 1384718519 /nfs/dbraw/zinc/71/85/19/1384718519.db2.gz KELIITWTTSSIBO-PMOLBWCYSA-N 2 1 336.483 3.287 20 0 EGADMP c1ccc(CN2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2C[C@@H]4CCO[C@@H]4C2)C3)cc1 ZINC001172084326 1384722504 /nfs/dbraw/zinc/72/25/04/1384722504.db2.gz WOWLBPUSYBSPEE-JRSUCEMESA-N 2 1 326.484 3.293 20 0 EGADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2C[C@@H]4CCO[C@@H]4C2)C3)cc1 ZINC001172084326 1384722506 /nfs/dbraw/zinc/72/25/06/1384722506.db2.gz WOWLBPUSYBSPEE-JRSUCEMESA-N 2 1 326.484 3.293 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2C[C@@H]4CCO[C@@H]4C2)C3)cc1 ZINC001172084326 1384722507 /nfs/dbraw/zinc/72/25/07/1384722507.db2.gz WOWLBPUSYBSPEE-JRSUCEMESA-N 2 1 326.484 3.293 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2C[C@@H]4CCO[C@@H]4C2)C3)cc1 ZINC001172084326 1384722522 /nfs/dbraw/zinc/72/25/22/1384722522.db2.gz WOWLBPUSYBSPEE-JRSUCEMESA-N 2 1 326.484 3.293 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2C[C@@H]4CCO[C@@H]4C2)C3)cc1 ZINC001172084326 1384722526 /nfs/dbraw/zinc/72/25/26/1384722526.db2.gz WOWLBPUSYBSPEE-JRSUCEMESA-N 2 1 326.484 3.293 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001172102220 1384726831 /nfs/dbraw/zinc/72/68/31/1384726831.db2.gz LAGLPUKAQUHZJA-MXEMCNAFSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001172102220 1384726834 /nfs/dbraw/zinc/72/68/34/1384726834.db2.gz LAGLPUKAQUHZJA-MXEMCNAFSA-N 3 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001172102220 1384726836 /nfs/dbraw/zinc/72/68/36/1384726836.db2.gz LAGLPUKAQUHZJA-MXEMCNAFSA-N 3 1 327.516 3.113 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C2 ZINC001172106994 1384727955 /nfs/dbraw/zinc/72/79/55/1384727955.db2.gz RMUAEYREVJFQMS-JJTUDDRGSA-N 2 1 337.508 3.037 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C2 ZINC001172106994 1384727959 /nfs/dbraw/zinc/72/79/59/1384727959.db2.gz RMUAEYREVJFQMS-JJTUDDRGSA-N 2 1 337.508 3.037 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)C2 ZINC001172105939 1384728536 /nfs/dbraw/zinc/72/85/36/1384728536.db2.gz LKUZHKOXLSFWQG-MUJYYYPQSA-N 2 1 339.524 3.142 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(CC[NH3+])C13CC4CC(CC(C4)C1)C3)C2 ZINC001172109722 1384729118 /nfs/dbraw/zinc/72/91/18/1384729118.db2.gz KJFZURHFDINAAK-UQCNXYBZSA-N 2 1 331.548 3.231 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(CC[NH3+])C13CC4CC(CC(C4)C1)C3)C2 ZINC001172109722 1384729121 /nfs/dbraw/zinc/72/91/21/1384729121.db2.gz KJFZURHFDINAAK-UQCNXYBZSA-N 2 1 331.548 3.231 20 0 EGADMP CCOC(=O)CCc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172113475 1384731041 /nfs/dbraw/zinc/73/10/41/1384731041.db2.gz HNKVIQPYSGSRDM-OWZKRDHZSA-N 2 1 344.499 3.287 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CC[NH+](CC3CCCC3)CC1)C2 ZINC001172113045 1384731084 /nfs/dbraw/zinc/73/10/84/1384731084.db2.gz FNULHGLTJDNBNN-MZADTFQBSA-N 3 1 333.564 3.494 20 0 EGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CC[NH+](CC3CCCC3)CC1)C2 ZINC001172113045 1384731086 /nfs/dbraw/zinc/73/10/86/1384731086.db2.gz FNULHGLTJDNBNN-MZADTFQBSA-N 2 1 333.564 3.494 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC001172113030 1384731378 /nfs/dbraw/zinc/73/13/78/1384731378.db2.gz FACKHUIEMSMBHR-PHZGNYQRSA-N 2 1 336.863 3.232 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC001172113030 1384731380 /nfs/dbraw/zinc/73/13/80/1384731380.db2.gz FACKHUIEMSMBHR-PHZGNYQRSA-N 2 1 336.863 3.232 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(O)(c3ccc(F)cc3)CC1)C2 ZINC001172120157 1384732369 /nfs/dbraw/zinc/73/23/69/1384732369.db2.gz DJMNPCFMGVAIFE-BWTSREIZSA-N 2 1 332.463 3.124 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(O)(c3ccc(F)cc3)CC1)C2 ZINC001172120157 1384732370 /nfs/dbraw/zinc/73/23/70/1384732370.db2.gz DJMNPCFMGVAIFE-BWTSREIZSA-N 2 1 332.463 3.124 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3CN(Cc4cccs4)C[C@@H]3C1)C2 ZINC001172116028 1384732635 /nfs/dbraw/zinc/73/26/35/1384732635.db2.gz CUDYMZUHIVJSKW-QQXKLLMISA-N 2 1 345.556 3.127 20 0 EGADMP Cc1ccnc(O[C@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172132411 1384737048 /nfs/dbraw/zinc/73/70/48/1384737048.db2.gz KTHVPVKMHZIDIJ-RDGPPVDQSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1ccnc(O[C@H]2CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172132411 1384737049 /nfs/dbraw/zinc/73/70/49/1384737049.db2.gz KTHVPVKMHZIDIJ-RDGPPVDQSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1ccnc(O[C@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172132411 1384737053 /nfs/dbraw/zinc/73/70/53/1384737053.db2.gz KTHVPVKMHZIDIJ-RDGPPVDQSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1cccnc1O[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172133588 1384739102 /nfs/dbraw/zinc/73/91/02/1384739102.db2.gz TXFWZXRJOBSRRI-MANSERQUSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1cccnc1O[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172133588 1384739104 /nfs/dbraw/zinc/73/91/04/1384739104.db2.gz TXFWZXRJOBSRRI-MANSERQUSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1cccnc1O[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172133588 1384739105 /nfs/dbraw/zinc/73/91/05/1384739105.db2.gz TXFWZXRJOBSRRI-MANSERQUSA-N 2 1 329.488 3.249 20 0 EGADMP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172223556 1384751651 /nfs/dbraw/zinc/75/16/51/1384751651.db2.gz HDPKNDFBAWGRIB-RKONGWCXSA-N 2 1 346.474 3.273 20 0 EGADMP CC[C@H](C)OCC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001172315184 1384768058 /nfs/dbraw/zinc/76/80/58/1384768058.db2.gz FZQXFBHSYQGVBL-OALUTQOASA-N 2 1 347.547 3.117 20 0 EGADMP CC[C@@H](C)OCC[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001172319175 1384769112 /nfs/dbraw/zinc/76/91/12/1384769112.db2.gz OYPKQFAQELPTHV-RBUKOAKNSA-N 2 1 347.547 3.117 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C[C@@H]1C ZINC001172358217 1384777405 /nfs/dbraw/zinc/77/74/05/1384777405.db2.gz GLNBNBQQKCEPDA-LQWHRVPQSA-N 2 1 329.532 3.348 20 0 EGADMP Cc1cc(N([C@H](C)CCOCC(C)C)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001172479534 1384802508 /nfs/dbraw/zinc/80/25/08/1384802508.db2.gz KBEYMLSETOEXRV-MRXNPFEDSA-N 2 1 334.508 3.103 20 0 EGADMP COC(=O)[C@H]1CCC[C@H]([NH2+]C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172611238 1384819403 /nfs/dbraw/zinc/81/94/03/1384819403.db2.gz XURGREGHBWCWEG-OALUTQOASA-N 2 1 344.499 3.363 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H](C)CCC(=O)OC(C)C)CC1 ZINC001172759937 1384845562 /nfs/dbraw/zinc/84/55/62/1384845562.db2.gz SEDGUPBNYLVQDE-HNNXBMFYSA-N 2 1 333.476 3.049 20 0 EGADMP COC(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001172770347 1384848049 /nfs/dbraw/zinc/84/80/49/1384848049.db2.gz LAZWKBMTSXMNHJ-OALUTQOASA-N 2 1 344.499 3.363 20 0 EGADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172962082 1384891216 /nfs/dbraw/zinc/89/12/16/1384891216.db2.gz ZOJRUNVNGQZUPM-VQHPVUNQSA-N 2 1 339.524 3.237 20 0 EGADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172962082 1384891219 /nfs/dbraw/zinc/89/12/19/1384891219.db2.gz ZOJRUNVNGQZUPM-VQHPVUNQSA-N 2 1 339.524 3.237 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)CC1 ZINC001173111115 1384917212 /nfs/dbraw/zinc/91/72/12/1384917212.db2.gz SALXEGCVWWBORW-FVELJTHGSA-N 2 1 349.563 3.218 20 0 EGADMP CCOC[C@H]1Cn2nccc2C[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173111443 1384917218 /nfs/dbraw/zinc/91/72/18/1384917218.db2.gz XVSNPEVMPFVLCP-LMDPOFIKSA-N 2 1 348.535 3.004 20 0 EGADMP c1nc2c(s1)C[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001173122643 1384919022 /nfs/dbraw/zinc/91/90/22/1384919022.db2.gz QOVFHGWWHDUQCC-QGZVFWFLSA-N 2 1 327.497 3.255 20 0 EGADMP c1nc2c(s1)C[C@@H]([NH+]1CCC3(CCC[N@@H+]3CC3CC3)CC1)CC2 ZINC001173134888 1384921433 /nfs/dbraw/zinc/92/14/33/1384921433.db2.gz UZLMFESMKZMPKZ-INIZCTEOSA-N 2 1 331.529 3.341 20 0 EGADMP CC[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)C1 ZINC001173267023 1384947732 /nfs/dbraw/zinc/94/77/32/1384947732.db2.gz IHWFQLWKBIKHME-SJORKVTESA-N 2 1 341.540 3.391 20 0 EGADMP CC[C@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)C1 ZINC001173281417 1384951058 /nfs/dbraw/zinc/95/10/58/1384951058.db2.gz YALWBVJEZCNIHM-WPVAHCMFSA-N 2 1 345.535 3.030 20 0 EGADMP CC[C@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)C1 ZINC001173281417 1384951062 /nfs/dbraw/zinc/95/10/62/1384951062.db2.gz YALWBVJEZCNIHM-WPVAHCMFSA-N 2 1 345.535 3.030 20 0 EGADMP CC[C@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)C1 ZINC001173281417 1384951066 /nfs/dbraw/zinc/95/10/66/1384951066.db2.gz YALWBVJEZCNIHM-WPVAHCMFSA-N 2 1 345.535 3.030 20 0 EGADMP CC[C@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)C1 ZINC001173281417 1384951070 /nfs/dbraw/zinc/95/10/70/1384951070.db2.gz YALWBVJEZCNIHM-WPVAHCMFSA-N 2 1 345.535 3.030 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1Cc1cc(C)ccc1C ZINC001317180224 1384955749 /nfs/dbraw/zinc/95/57/49/1384955749.db2.gz IUSSZHDSLUNAGH-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C)ccc1C ZINC001317180224 1384955754 /nfs/dbraw/zinc/95/57/54/1384955754.db2.gz IUSSZHDSLUNAGH-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(C)ccc1C ZINC001317180224 1384955759 /nfs/dbraw/zinc/95/57/59/1384955759.db2.gz IUSSZHDSLUNAGH-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCOC(=O)[C@H]1CC12CCC([N@@H+](CCC[NH3+])C1CCCCC1)CC2 ZINC001173599629 1384985479 /nfs/dbraw/zinc/98/54/79/1384985479.db2.gz PTLAGPDBSUIPSN-QPIRBTGLSA-N 2 1 336.520 3.482 20 0 EGADMP C[C@@H]1CC([NH2+][C@@H]2CCC[N@@H+](C)CC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173676609 1385001628 /nfs/dbraw/zinc/00/16/28/1385001628.db2.gz YGGFONOXSAWSNO-BZUAXINKSA-N 2 1 339.524 3.237 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001317281477 1385051824 /nfs/dbraw/zinc/05/18/24/1385051824.db2.gz XREFQCCNLOBBJE-AOCRQIFASA-N 2 1 339.568 3.275 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001317362865 1385105201 /nfs/dbraw/zinc/10/52/01/1385105201.db2.gz HVIFERPLZFDXJL-UXHICEINSA-N 2 1 345.531 3.244 20 0 EGADMP C[C@H]1CCC[C@H](CC[N@@H+](C)CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001317471751 1385166531 /nfs/dbraw/zinc/16/65/31/1385166531.db2.gz OMTSMHIRJXTHKZ-RBUKOAKNSA-N 2 1 337.552 3.127 20 0 EGADMP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175256951 1385230735 /nfs/dbraw/zinc/23/07/35/1385230735.db2.gz RCPUXKRQMDLXGT-MSOLQXFVSA-N 2 1 325.541 3.316 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175264286 1385234739 /nfs/dbraw/zinc/23/47/39/1385234739.db2.gz RXDZRQNGJLXYHZ-ROUUACIJSA-N 2 1 325.541 3.029 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)Cc2ccccc2)c1 ZINC001335942407 1388972243 /nfs/dbraw/zinc/97/22/43/1388972243.db2.gz PSGXWNKNCUBVRE-NRFANRHFSA-N 2 1 326.484 3.220 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC1CCC1 ZINC001317540965 1385278893 /nfs/dbraw/zinc/27/88/93/1385278893.db2.gz PHSWSEDZQIGGJN-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CC1CCC1 ZINC001317540965 1385278900 /nfs/dbraw/zinc/27/89/00/1385278900.db2.gz PHSWSEDZQIGGJN-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CC1CCC1 ZINC001317540965 1385278903 /nfs/dbraw/zinc/27/89/03/1385278903.db2.gz PHSWSEDZQIGGJN-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl ZINC001175574040 1385336374 /nfs/dbraw/zinc/33/63/74/1385336374.db2.gz SYNULKKFLPCQDT-MXDRFRHJSA-N 2 1 343.943 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001317623108 1385357841 /nfs/dbraw/zinc/35/78/41/1385357841.db2.gz KVBAEUKQBBWBMD-AEFFLSMTSA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001335986004 1388983466 /nfs/dbraw/zinc/98/34/66/1388983466.db2.gz IDTWXLGVXWAQLQ-CJNGLKHVSA-N 2 1 344.421 3.449 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@H]1CCC[C@@H](C)C1 ZINC001317747417 1385435541 /nfs/dbraw/zinc/43/55/41/1385435541.db2.gz TWBWPVWGUVRTBI-WTGUMLROSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]1CCC[C@@H](C)C1 ZINC001317747417 1385435545 /nfs/dbraw/zinc/43/55/45/1385435545.db2.gz TWBWPVWGUVRTBI-WTGUMLROSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H]1CCC[C@@H](C)C1 ZINC001317747417 1385435550 /nfs/dbraw/zinc/43/55/50/1385435550.db2.gz TWBWPVWGUVRTBI-WTGUMLROSA-N 2 1 349.563 3.220 20 0 EGADMP CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001317766675 1385456694 /nfs/dbraw/zinc/45/66/94/1385456694.db2.gz HGODDZJJGVJFOH-DYLHUKMJSA-N 2 1 343.943 3.030 20 0 EGADMP CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001317766675 1385456696 /nfs/dbraw/zinc/45/66/96/1385456696.db2.gz HGODDZJJGVJFOH-DYLHUKMJSA-N 2 1 343.943 3.030 20 0 EGADMP CCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1CC[NH+](C/C=C/Cl)C1 ZINC001317766675 1385456698 /nfs/dbraw/zinc/45/66/98/1385456698.db2.gz HGODDZJJGVJFOH-DYLHUKMJSA-N 2 1 343.943 3.030 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1CC[NH+](C/C=C/Cl)C1 ZINC001317766675 1385456701 /nfs/dbraw/zinc/45/67/01/1385456701.db2.gz HGODDZJJGVJFOH-DYLHUKMJSA-N 2 1 343.943 3.030 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176023410 1385463483 /nfs/dbraw/zinc/46/34/83/1385463483.db2.gz HNIJGMTYVQTVHB-GFOMBABLSA-N 2 1 325.541 3.339 20 0 EGADMP COCC[C@H](c1ccccc1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001176280339 1385537454 /nfs/dbraw/zinc/53/74/54/1385537454.db2.gz AGYQLFXIYMMRKP-YLJYHZDGSA-N 2 1 325.456 3.370 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CC2(CCC2)C1 ZINC001176285202 1385539001 /nfs/dbraw/zinc/53/90/01/1385539001.db2.gz NFIJYOHXNYEJCB-QGZVFWFLSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176566215 1385627568 /nfs/dbraw/zinc/62/75/68/1385627568.db2.gz ZQEYBSHRKXFGSY-MJGOQNOKSA-N 2 1 335.536 3.093 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC2(CCC2)C1 ZINC001176753025 1385683416 /nfs/dbraw/zinc/68/34/16/1385683416.db2.gz CJIVUZIKQNWKHD-KRWDZBQOSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001176753364 1385683865 /nfs/dbraw/zinc/68/38/65/1385683865.db2.gz GYMLPAGCQZOJCA-KRWDZBQOSA-N 2 1 327.557 3.418 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176754391 1385685002 /nfs/dbraw/zinc/68/50/02/1385685002.db2.gz UHUPXAHULWBDKG-GFOMBABLSA-N 2 1 325.541 3.338 20 0 EGADMP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176760304 1385686532 /nfs/dbraw/zinc/68/65/32/1385686532.db2.gz UKUWKMVVUIPZIZ-HMTUNPETSA-N 2 1 337.552 3.482 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1C ZINC001176986843 1385764462 /nfs/dbraw/zinc/76/44/62/1385764462.db2.gz WYXLYBJRBFXKCA-PKOBYXMFSA-N 2 1 331.504 3.026 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CC1CCCCCC1)c1ccccc1 ZINC001177017124 1385773383 /nfs/dbraw/zinc/77/33/83/1385773383.db2.gz YZSCSUAPGHQAMT-HXUWFJFHSA-N 2 1 345.531 3.356 20 0 EGADMP CC/C=C/CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001177266329 1385889751 /nfs/dbraw/zinc/88/97/51/1385889751.db2.gz DPAWZDFEHRIFNF-DPZZJQGRSA-N 2 1 349.563 3.435 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@@H]2CCc3c2cccc3F)CC1 ZINC001318954479 1385895549 /nfs/dbraw/zinc/89/55/49/1385895549.db2.gz UWBYOKDBCJQFRK-LLGFUMIMSA-N 2 1 345.506 3.303 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@@H]2CCc3c2cccc3F)CC1 ZINC001318954479 1385895556 /nfs/dbraw/zinc/89/55/56/1385895556.db2.gz UWBYOKDBCJQFRK-LLGFUMIMSA-N 2 1 345.506 3.303 20 0 EGADMP C[N@@H+](CC(=O)N(CCC[NH2+]CC1CCC1)CC1CCCC1)C1CCC1 ZINC001177344947 1385922335 /nfs/dbraw/zinc/92/23/35/1385922335.db2.gz DRNKDGWJCMQQTA-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)CCCn1cc[nH+]c1C ZINC001177440937 1385958462 /nfs/dbraw/zinc/95/84/62/1385958462.db2.gz UYBLABLEXYTHBT-UHFFFAOYSA-N 2 1 348.535 3.380 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC001177483215 1385973680 /nfs/dbraw/zinc/97/36/80/1385973680.db2.gz JCUATRFBIPPJME-QGZVFWFLSA-N 2 1 326.444 3.090 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177485079 1385975153 /nfs/dbraw/zinc/97/51/53/1385975153.db2.gz QIQRCZPSXMQBFL-HDICACEKSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N(CCC[NH2+]CCC1CC1)CC1CCCC1 ZINC001177488983 1385976813 /nfs/dbraw/zinc/97/68/13/1385976813.db2.gz PZCCTJBSXSSUDM-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCCC2)c1 ZINC001319389869 1386099560 /nfs/dbraw/zinc/09/95/60/1386099560.db2.gz SHMLBXVEXCKXOC-PKOBYXMFSA-N 2 1 343.515 3.026 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001178045616 1386115498 /nfs/dbraw/zinc/11/54/98/1386115498.db2.gz PRMXBJYDWLAMKC-FQEVSTJZSA-N 2 1 345.531 3.164 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001178045673 1386115653 /nfs/dbraw/zinc/11/56/53/1386115653.db2.gz RSBUTLYUWIFOTR-UXHICEINSA-N 2 1 343.515 3.034 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178483585 1386231340 /nfs/dbraw/zinc/23/13/40/1386231340.db2.gz FMELDVWFWLPEQP-RBUKOAKNSA-N 2 1 335.536 3.093 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@H]1CCCc2[nH+]ccn21 ZINC001178698702 1386281673 /nfs/dbraw/zinc/28/16/73/1386281673.db2.gz RIFLZQCHOOEBES-GOSISDBHSA-N 2 1 346.519 3.217 20 0 EGADMP C[N@@H+](CC(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1)C1CCC1 ZINC001178705226 1386283843 /nfs/dbraw/zinc/28/38/43/1386283843.db2.gz JGPPRQISIGSCMZ-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP O=C(NCCCCCC[NH2+]C/C=C\Cl)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178810262 1386313846 /nfs/dbraw/zinc/31/38/46/1386313846.db2.gz AWJSVNMHRLVQAH-YZBXERDGSA-N 2 1 341.927 3.022 20 0 EGADMP O=C(NCCCCCC[NH2+]C/C=C\Cl)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001178810259 1386314328 /nfs/dbraw/zinc/31/43/28/1386314328.db2.gz AWJSVNMHRLVQAH-ANDZVCCMSA-N 2 1 341.927 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001178833378 1386322489 /nfs/dbraw/zinc/32/24/89/1386322489.db2.gz TXOKZCGQHQTXII-IBGZPJMESA-N 2 1 337.552 3.317 20 0 EGADMP C[N@@H+](CCC1CCN(C(=O)CC[NH+]2CCCCC2)CC1)CC1CCC1 ZINC001319891306 1386368550 /nfs/dbraw/zinc/36/85/50/1386368550.db2.gz TWPGMNUIDWGFLB-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCCCCC[NH2+][C@H](C)c1ccccc1 ZINC001179026281 1386380301 /nfs/dbraw/zinc/38/03/01/1386380301.db2.gz UYQJJVPKVSDUDB-GOSISDBHSA-N 2 1 342.487 3.219 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001179026184 1386380761 /nfs/dbraw/zinc/38/07/61/1386380761.db2.gz QCMUNPILYSKKEI-UHFFFAOYSA-N 2 1 334.508 3.038 20 0 EGADMP Cc1c(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc2c[nH+]cn21 ZINC001320101260 1386512565 /nfs/dbraw/zinc/51/25/65/1386512565.db2.gz BTSOLMZDZDJEST-HOCLYGCPSA-N 2 1 340.471 3.026 20 0 EGADMP CC(C)CCC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001179580600 1386521765 /nfs/dbraw/zinc/52/17/65/1386521765.db2.gz JRGWDBLDSFWSGJ-SFHVURJKSA-N 2 1 325.541 3.173 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001179587155 1386523936 /nfs/dbraw/zinc/52/39/36/1386523936.db2.gz WYZYWJRMKINZJI-GOSISDBHSA-N 2 1 348.535 3.210 20 0 EGADMP CCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001179590240 1386524724 /nfs/dbraw/zinc/52/47/24/1386524724.db2.gz FIIIJSHRECCQJP-QZTJIDSGSA-N 2 1 325.541 3.031 20 0 EGADMP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001179746211 1386570208 /nfs/dbraw/zinc/57/02/08/1386570208.db2.gz QZCUWVFMYAZYRQ-QZTJIDSGSA-N 2 1 343.531 3.264 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)[C@@H]1C ZINC001179979433 1386656414 /nfs/dbraw/zinc/65/64/14/1386656414.db2.gz XWULRBXAIBMEFQ-BJLQDIEVSA-N 2 1 345.531 3.367 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1c(C)cccc1C ZINC001179991916 1386661577 /nfs/dbraw/zinc/66/15/77/1386661577.db2.gz DROHHWSNEVAJAL-UHFFFAOYSA-N 2 1 347.547 3.411 20 0 EGADMP C[C@H]([NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001180065724 1386685491 /nfs/dbraw/zinc/68/54/91/1386685491.db2.gz ZUTFZEXVKSTYEA-OALUTQOASA-N 2 1 345.531 3.356 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H](NC[C@H]1CCC[N@@H+](CC)C1)CCC2 ZINC001320861718 1386740656 /nfs/dbraw/zinc/74/06/56/1386740656.db2.gz FDLSKJCCRQECFL-HZPDHXFCSA-N 2 1 348.487 3.464 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)CCC2 ZINC001320861718 1386740662 /nfs/dbraw/zinc/74/06/62/1386740662.db2.gz FDLSKJCCRQECFL-HZPDHXFCSA-N 2 1 348.487 3.464 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]CCC2CCCCC2)C1 ZINC001180259396 1386748277 /nfs/dbraw/zinc/74/82/77/1386748277.db2.gz FNWPIFRJOQGZLZ-IBGZPJMESA-N 2 1 337.552 3.175 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C ZINC001180369736 1386776926 /nfs/dbraw/zinc/77/69/26/1386776926.db2.gz UXNJWJWFWWPUDU-GOSISDBHSA-N 2 1 327.557 3.275 20 0 EGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001180372841 1386777819 /nfs/dbraw/zinc/77/78/19/1386777819.db2.gz IASCMKBJUKCJPG-VOFKWLDRSA-N 2 1 337.552 3.483 20 0 EGADMP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181518699 1387008617 /nfs/dbraw/zinc/00/86/17/1387008617.db2.gz ZHZIFESQACAFMW-SWQIVCBNSA-N 2 1 349.563 3.147 20 0 EGADMP COc1ccc(Cl)cc1[C@@H](O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001181775388 1387053429 /nfs/dbraw/zinc/05/34/29/1387053429.db2.gz FTCLLRUCKXSMAD-INIZCTEOSA-N 2 1 340.895 3.235 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001322127719 1387065917 /nfs/dbraw/zinc/06/59/17/1387065917.db2.gz SWFXDEDMYUACRF-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001322127719 1387065921 /nfs/dbraw/zinc/06/59/21/1387065921.db2.gz SWFXDEDMYUACRF-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001322127719 1387065926 /nfs/dbraw/zinc/06/59/26/1387065926.db2.gz SWFXDEDMYUACRF-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)C(=O)OCC)C1 ZINC001182153202 1387113605 /nfs/dbraw/zinc/11/36/05/1387113605.db2.gz YPFXREOMCGAGRL-PMPSAXMXSA-N 2 1 348.478 3.454 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)C(=O)OCC)C1 ZINC001182153202 1387113607 /nfs/dbraw/zinc/11/36/07/1387113607.db2.gz YPFXREOMCGAGRL-PMPSAXMXSA-N 2 1 348.478 3.454 20 0 EGADMP C[C@H](C[N@@H+](C)CCCC(C)(C)C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001322244931 1387118588 /nfs/dbraw/zinc/11/85/88/1387118588.db2.gz RFIMSEXIACMSOS-MRXNPFEDSA-N 2 1 327.557 3.227 20 0 EGADMP C[C@H](C[NH+](C)CCCC(C)(C)C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001322244931 1387118592 /nfs/dbraw/zinc/11/85/92/1387118592.db2.gz RFIMSEXIACMSOS-MRXNPFEDSA-N 2 1 327.557 3.227 20 0 EGADMP C[C@H](C[NH+](C)CCCC(C)(C)C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001322244931 1387118593 /nfs/dbraw/zinc/11/85/93/1387118593.db2.gz RFIMSEXIACMSOS-MRXNPFEDSA-N 2 1 327.557 3.227 20 0 EGADMP CC(C)[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001698698759 1406341790 /nfs/dbraw/zinc/34/17/90/1406341790.db2.gz JHCVWIRKYKEBOJ-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182591169 1387193000 /nfs/dbraw/zinc/19/30/00/1387193000.db2.gz UVULWIPMPZUQQP-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CCCC2)C1 ZINC001182614097 1387196496 /nfs/dbraw/zinc/19/64/96/1387196496.db2.gz AHINWTVUGYQKED-LVCYWYKZSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001182693616 1387208257 /nfs/dbraw/zinc/20/82/57/1387208257.db2.gz ZPIYARRXUCFXDZ-HNGSOEQISA-N 2 1 346.519 3.334 20 0 EGADMP Cc1cc2ncn(C[N@@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)c2cc1C ZINC001336078843 1389008726 /nfs/dbraw/zinc/00/87/26/1389008726.db2.gz PLEVCWIOGLHJLZ-OKZBNKHCSA-N 2 1 326.488 3.273 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001698713055 1406355642 /nfs/dbraw/zinc/35/56/42/1406355642.db2.gz LDLKBXFUCQBKNG-IYARVYRRSA-N 2 1 339.568 3.418 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001698715909 1406359109 /nfs/dbraw/zinc/35/91/09/1406359109.db2.gz BLHVCVYAVSILOS-IHPCNDPISA-N 2 1 345.531 3.415 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCC2CC2)CC1 ZINC001698723759 1406371785 /nfs/dbraw/zinc/37/17/85/1406371785.db2.gz ZZRWXJQBXOVTJV-FQEVSTJZSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)CC[N@@H+]1C ZINC001330595573 1389465492 /nfs/dbraw/zinc/46/54/92/1389465492.db2.gz AWWCVXMEABMGIK-POAQFYNOSA-N 2 1 338.499 3.381 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)CC[N@H+]1C ZINC001330595573 1389465498 /nfs/dbraw/zinc/46/54/98/1389465498.db2.gz AWWCVXMEABMGIK-POAQFYNOSA-N 2 1 338.499 3.381 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC001338419414 1389680456 /nfs/dbraw/zinc/68/04/56/1389680456.db2.gz RRBOHTMGJCEDMR-IIBYNOLFSA-N 2 1 335.451 3.435 20 0 EGADMP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)c(C)c1 ZINC001331560437 1389799507 /nfs/dbraw/zinc/79/95/07/1389799507.db2.gz LCRCKPKUPHTTTG-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC2CC2)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001332015446 1389947027 /nfs/dbraw/zinc/94/70/27/1389947027.db2.gz NHGBTEXWUDKRQE-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001332424975 1390113390 /nfs/dbraw/zinc/11/33/90/1390113390.db2.gz SFVNPJBNQVBIAS-OAHLLOKOSA-N 2 1 349.906 3.441 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC001340130994 1390233398 /nfs/dbraw/zinc/23/33/98/1390233398.db2.gz FXVYDFUFYLCAQL-AJYBTWMASA-N 2 1 342.483 3.286 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC001340130994 1390233402 /nfs/dbraw/zinc/23/34/02/1390233402.db2.gz FXVYDFUFYLCAQL-AJYBTWMASA-N 2 1 342.483 3.286 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)C1 ZINC001340514726 1390303233 /nfs/dbraw/zinc/30/32/33/1390303233.db2.gz LPRNXFGVBFQAPA-IAGOWNOFSA-N 2 1 329.488 3.196 20 0 EGADMP FC(F)(F)Oc1cccc(CC[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC001333657898 1390367530 /nfs/dbraw/zinc/36/75/30/1390367530.db2.gz JHOWMVJMGKRZQW-AWEZNQCLSA-N 2 1 328.378 3.202 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC001340912929 1390402647 /nfs/dbraw/zinc/40/26/47/1390402647.db2.gz WDVHMADDWCSIMH-HOCLYGCPSA-N 2 1 333.476 3.036 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC001340912929 1390402649 /nfs/dbraw/zinc/40/26/49/1390402649.db2.gz WDVHMADDWCSIMH-HOCLYGCPSA-N 2 1 333.476 3.036 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)n2)c(OC)c1 ZINC001341567794 1390503854 /nfs/dbraw/zinc/50/38/54/1390503854.db2.gz LHOFJGJZTYZCLZ-QGZVFWFLSA-N 2 1 341.455 3.484 20 0 EGADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(Cl)cc1O ZINC001334358158 1390524379 /nfs/dbraw/zinc/52/43/79/1390524379.db2.gz WYDZBNCOPDJTPR-YDHLFZDLSA-N 2 1 338.879 3.216 20 0 EGADMP C[C@@H]([NH2+]CCOC1CCSCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001335506930 1390695707 /nfs/dbraw/zinc/69/57/07/1390695707.db2.gz QXJBUYVMEAHCMY-IEBWSBKVSA-N 2 1 348.556 3.399 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001347927757 1391147539 /nfs/dbraw/zinc/14/75/39/1391147539.db2.gz YNCBAMOBYWFHBW-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H](Nc1nc(N2CCCC2)cc[nH+]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001348083797 1391171135 /nfs/dbraw/zinc/17/11/35/1391171135.db2.gz INRRKMUHQBHVDA-JKSUJKDBSA-N 2 1 329.492 3.142 20 0 EGADMP C[C@H](Nc1nc(N2CCCC2)cc[nH+]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001348083797 1391171138 /nfs/dbraw/zinc/17/11/38/1391171138.db2.gz INRRKMUHQBHVDA-JKSUJKDBSA-N 2 1 329.492 3.142 20 0 EGADMP CC[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCC(C)(C)CC1)[NH+](C)C ZINC001488660282 1391698174 /nfs/dbraw/zinc/69/81/74/1391698174.db2.gz CNVNNXKQCSRFMB-MSOLQXFVSA-N 2 1 337.552 3.076 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CC12CC[NH+](CCC1CCCC1)CC2)C1CCC1 ZINC001479980184 1392514277 /nfs/dbraw/zinc/51/42/77/1392514277.db2.gz FEMLESLQRWIFKD-LJQANCHMSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCC1CCCCCC1)C1CC1 ZINC001480039844 1392545636 /nfs/dbraw/zinc/54/56/36/1392545636.db2.gz IAIDDHGJNUIGGO-PMACEKPBSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001480073865 1392563885 /nfs/dbraw/zinc/56/38/85/1392563885.db2.gz XWNWRMAFHLAQFI-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CCCC(C)(C)C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001480073865 1392563888 /nfs/dbraw/zinc/56/38/88/1392563888.db2.gz XWNWRMAFHLAQFI-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CCCC(C)(C)C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001480073865 1392563890 /nfs/dbraw/zinc/56/38/90/1392563890.db2.gz XWNWRMAFHLAQFI-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)c1ccccc1 ZINC001480173243 1392608957 /nfs/dbraw/zinc/60/89/57/1392608957.db2.gz CHCWFSVDCQQPDY-UFYCRDLUSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCC1)[NH+](C)C ZINC001480320568 1392681122 /nfs/dbraw/zinc/68/11/22/1392681122.db2.gz ZTVIXDLRJOIQRI-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001480380750 1392724047 /nfs/dbraw/zinc/72/40/47/1392724047.db2.gz XKCISLABCDLYIF-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCCC2CCCC2)C1)[NH+](C)C ZINC001480737846 1392903818 /nfs/dbraw/zinc/90/38/18/1392903818.db2.gz AKCHNUORCJNJOW-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@@H](C)c1cccc(F)c1 ZINC001480979437 1393064343 /nfs/dbraw/zinc/06/43/43/1393064343.db2.gz JEPGMIDTUDLVFG-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)[C@@H](C)c1cccc(F)c1 ZINC001480979437 1393064347 /nfs/dbraw/zinc/06/43/47/1393064347.db2.gz JEPGMIDTUDLVFG-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)[C@@H](C)c1cccc(F)c1 ZINC001480979437 1393064350 /nfs/dbraw/zinc/06/43/50/1393064350.db2.gz JEPGMIDTUDLVFG-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](CCCC1CCCC1)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001480985339 1393068292 /nfs/dbraw/zinc/06/82/92/1393068292.db2.gz BUCFZTZXXMIYKG-UHFFFAOYSA-N 2 1 335.536 3.023 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2C(C)C)C1 ZINC001481117643 1393124142 /nfs/dbraw/zinc/12/41/42/1393124142.db2.gz BGVRZNNRYHFQII-SFHVURJKSA-N 2 1 345.531 3.090 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C(C)C)C1 ZINC001481117643 1393124143 /nfs/dbraw/zinc/12/41/43/1393124143.db2.gz BGVRZNNRYHFQII-SFHVURJKSA-N 2 1 345.531 3.090 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2C(C)C)C1 ZINC001481117643 1393124145 /nfs/dbraw/zinc/12/41/45/1393124145.db2.gz BGVRZNNRYHFQII-SFHVURJKSA-N 2 1 345.531 3.090 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@H](C)c1ccc(F)cc1 ZINC001481137148 1393130435 /nfs/dbraw/zinc/13/04/35/1393130435.db2.gz DQUXDOXPHRCXAF-MRXNPFEDSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001481147586 1393133893 /nfs/dbraw/zinc/13/38/93/1393133893.db2.gz GOCSDRLCNHCRQI-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001481147586 1393133894 /nfs/dbraw/zinc/13/38/94/1393133894.db2.gz GOCSDRLCNHCRQI-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CCCCC1)C1CC1 ZINC001481172061 1393141310 /nfs/dbraw/zinc/14/13/10/1393141310.db2.gz YQKHYASUPQRICT-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC1CCCCC1)C1CC1 ZINC001481172061 1393141315 /nfs/dbraw/zinc/14/13/15/1393141315.db2.gz YQKHYASUPQRICT-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC1CCCCC1)C1CC1 ZINC001481172061 1393141319 /nfs/dbraw/zinc/14/13/19/1393141319.db2.gz YQKHYASUPQRICT-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH+](CC)CC1 ZINC001490615759 1394284024 /nfs/dbraw/zinc/28/40/24/1394284024.db2.gz AUKKRPCBAUXHTC-SFHVURJKSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)(C)CCC[N@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001481438216 1394292796 /nfs/dbraw/zinc/29/27/96/1394292796.db2.gz BZIILJOPHOKYAB-SFHVURJKSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1)c1ccccc1 ZINC001491181089 1394461375 /nfs/dbraw/zinc/46/13/75/1394461375.db2.gz ZGBWZTBYAMPDLF-QUCCMNQESA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)[C@H](C)C1 ZINC001482433920 1394995081 /nfs/dbraw/zinc/99/50/81/1394995081.db2.gz MBNDCOUGBXSUFR-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCC2CCCC2)C1 ZINC001482477782 1395032040 /nfs/dbraw/zinc/03/20/40/1395032040.db2.gz IDZPRKZHDHWSAK-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](C(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccccc2C)C1)[NH+](C)C ZINC001484168703 1395308298 /nfs/dbraw/zinc/30/82/98/1395308298.db2.gz OXVUFSBGOUTSFC-FPOVZHCZSA-N 2 1 345.531 3.054 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)CC1)[NH+](C)C ZINC001484723963 1395487046 /nfs/dbraw/zinc/48/70/46/1395487046.db2.gz LTURTAGWUDIRLA-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001484724829 1395488788 /nfs/dbraw/zinc/48/87/88/1395488788.db2.gz YZTADJXWSWKBTI-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1ccccc1 ZINC001698989033 1406775706 /nfs/dbraw/zinc/77/57/06/1406775706.db2.gz GRKJUPBHAWRBMX-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)[C@H](C)c1ccccc1 ZINC001698989033 1406775707 /nfs/dbraw/zinc/77/57/07/1406775707.db2.gz GRKJUPBHAWRBMX-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccccc1 ZINC001698989033 1406775708 /nfs/dbraw/zinc/77/57/08/1406775708.db2.gz GRKJUPBHAWRBMX-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001485289347 1395766572 /nfs/dbraw/zinc/76/65/72/1395766572.db2.gz ZXPAWYDAWRDOOA-QFBILLFUSA-N 2 1 345.531 3.015 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001485289347 1395766575 /nfs/dbraw/zinc/76/65/75/1395766575.db2.gz ZXPAWYDAWRDOOA-QFBILLFUSA-N 2 1 345.531 3.015 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001485289347 1395766581 /nfs/dbraw/zinc/76/65/81/1395766581.db2.gz ZXPAWYDAWRDOOA-QFBILLFUSA-N 2 1 345.531 3.015 20 0 EGADMP C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[N@@H+](C)Cc1cccc(F)c1 ZINC001485387213 1395876353 /nfs/dbraw/zinc/87/63/53/1395876353.db2.gz JNHIZTFUOBFUGZ-KRWDZBQOSA-N 2 1 349.494 3.028 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1ccccc1F ZINC001699001130 1406810489 /nfs/dbraw/zinc/81/04/89/1406810489.db2.gz JOJCZYDRUYHFKF-LPHOPBHVSA-N 2 1 349.494 3.150 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1ccccc1F ZINC001699001130 1406810492 /nfs/dbraw/zinc/81/04/92/1406810492.db2.gz JOJCZYDRUYHFKF-LPHOPBHVSA-N 2 1 349.494 3.150 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccccc1F ZINC001699001130 1406810494 /nfs/dbraw/zinc/81/04/94/1406810494.db2.gz JOJCZYDRUYHFKF-LPHOPBHVSA-N 2 1 349.494 3.150 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC001699001130 1406810497 /nfs/dbraw/zinc/81/04/97/1406810497.db2.gz JOJCZYDRUYHFKF-LPHOPBHVSA-N 2 1 349.494 3.150 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1C/C=C/c1ccccc1 ZINC001502968237 1396235646 /nfs/dbraw/zinc/23/56/46/1396235646.db2.gz LHDHDBCCSAXRBW-CNLJBLCWSA-N 2 1 343.515 3.011 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1C/C=C/c1ccccc1 ZINC001502968248 1396236007 /nfs/dbraw/zinc/23/60/07/1396236007.db2.gz LHDHDBCCSAXRBW-ZPPSIVDRSA-N 2 1 343.515 3.011 20 0 EGADMP CCc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)c1 ZINC001505410410 1396293988 /nfs/dbraw/zinc/29/39/88/1396293988.db2.gz NNYBAJPECPCIKV-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@H](C)c1cccc(C)c1 ZINC001493297391 1396339293 /nfs/dbraw/zinc/33/92/93/1396339293.db2.gz MHUQYUNZGADLDD-GOSISDBHSA-N 2 1 345.531 3.369 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001687428823 1396370641 /nfs/dbraw/zinc/37/06/41/1396370641.db2.gz SBFKYABRTCDBRO-WOJBJXKFSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001687428823 1396370646 /nfs/dbraw/zinc/37/06/46/1396370646.db2.gz SBFKYABRTCDBRO-WOJBJXKFSA-N 2 1 343.515 3.155 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001494321766 1396430921 /nfs/dbraw/zinc/43/09/21/1396430921.db2.gz NXKFVMHHDKHNOS-UEKDZROGSA-N 2 1 349.563 3.435 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001497297387 1396745317 /nfs/dbraw/zinc/74/53/17/1396745317.db2.gz FEYYZDOBTNDZRB-BEFAXECRSA-N 2 1 349.494 3.029 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001690029504 1404268043 /nfs/dbraw/zinc/26/80/43/1404268043.db2.gz FFWLJJYNSNKHGR-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001690049228 1404282449 /nfs/dbraw/zinc/28/24/49/1404282449.db2.gz ICEWRBJRAUCAOU-QUCCMNQESA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001690049228 1404282453 /nfs/dbraw/zinc/28/24/53/1404282453.db2.gz ICEWRBJRAUCAOU-QUCCMNQESA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001690049228 1404282456 /nfs/dbraw/zinc/28/24/56/1404282456.db2.gz ICEWRBJRAUCAOU-QUCCMNQESA-N 2 1 345.531 3.369 20 0 EGADMP C[N@@H+](CCC(=O)NC[C@@H]1CCC[NH+](CC2CCC2)C1)C1CCCCC1 ZINC001690385212 1404517932 /nfs/dbraw/zinc/51/79/32/1404517932.db2.gz IYVPGZFQLINWMG-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CCC(=O)NC[C@@H]1CCC[N@H+](CC2CCC2)C1)C1CCCCC1 ZINC001690385212 1404517935 /nfs/dbraw/zinc/51/79/35/1404517935.db2.gz IYVPGZFQLINWMG-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CCC(=O)NC[C@@H]1CCC[N@@H+](CC2CCC2)C1)C1CCCCC1 ZINC001690385212 1404517938 /nfs/dbraw/zinc/51/79/38/1404517938.db2.gz IYVPGZFQLINWMG-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)NC[C@@H]1CCCC[N@H+]1CCC1CC1 ZINC001690459866 1404590537 /nfs/dbraw/zinc/59/05/37/1404590537.db2.gz ULLKRUHJVZVOAN-IBGZPJMESA-N 2 1 335.536 3.023 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001690824310 1404760360 /nfs/dbraw/zinc/76/03/60/1404760360.db2.gz AQPVUGLZQGGWSZ-ICSRJNTNSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001690824310 1404760362 /nfs/dbraw/zinc/76/03/62/1404760362.db2.gz AQPVUGLZQGGWSZ-ICSRJNTNSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001690824310 1404760363 /nfs/dbraw/zinc/76/03/63/1404760363.db2.gz AQPVUGLZQGGWSZ-ICSRJNTNSA-N 2 1 345.531 3.402 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001690986498 1404901611 /nfs/dbraw/zinc/90/16/11/1404901611.db2.gz UYSKRAZDUBKNEM-INIZCTEOSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)c1cccc(C)c1 ZINC001691180366 1405118704 /nfs/dbraw/zinc/11/87/04/1405118704.db2.gz AIYTZMYPQAUHEJ-NLWGTHIKSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H](C)c1cccc(C)c1 ZINC001691180366 1405118709 /nfs/dbraw/zinc/11/87/09/1405118709.db2.gz AIYTZMYPQAUHEJ-NLWGTHIKSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H](C)c1cccc(C)c1 ZINC001691180366 1405118710 /nfs/dbraw/zinc/11/87/10/1405118710.db2.gz AIYTZMYPQAUHEJ-NLWGTHIKSA-N 2 1 345.531 3.224 20 0 EGADMP CC(C)C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001691222313 1405163123 /nfs/dbraw/zinc/16/31/23/1405163123.db2.gz YYOCWWZYCDSHCE-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001691222313 1405163130 /nfs/dbraw/zinc/16/31/30/1405163130.db2.gz YYOCWWZYCDSHCE-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001691222313 1405163134 /nfs/dbraw/zinc/16/31/34/1405163134.db2.gz YYOCWWZYCDSHCE-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001691686193 1405421646 /nfs/dbraw/zinc/42/16/46/1405421646.db2.gz HGVRKLLVNSHLQG-ZWKOTPCHSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001731803298 1427969957 /nfs/dbraw/zinc/96/99/57/1427969957.db2.gz JVTONOWBKRKYOQ-WOJBJXKFSA-N 2 1 345.531 3.449 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001731803298 1427969962 /nfs/dbraw/zinc/96/99/62/1427969962.db2.gz JVTONOWBKRKYOQ-WOJBJXKFSA-N 2 1 345.531 3.449 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001731803298 1427969966 /nfs/dbraw/zinc/96/99/66/1427969966.db2.gz JVTONOWBKRKYOQ-WOJBJXKFSA-N 2 1 345.531 3.449 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001698552443 1406149968 /nfs/dbraw/zinc/14/99/68/1406149968.db2.gz NGVPYYDGMKVIQW-DUMMIQTOSA-N 2 1 335.536 3.045 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001698585157 1406201281 /nfs/dbraw/zinc/20/12/81/1406201281.db2.gz LECJFIDEXJMSBW-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2C(C)C)C1 ZINC001732171540 1428415988 /nfs/dbraw/zinc/41/59/88/1428415988.db2.gz SDPWUGZOXIAVER-LJQANCHMSA-N 2 1 345.531 3.185 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2C(C)C)C1 ZINC001732171540 1428415989 /nfs/dbraw/zinc/41/59/89/1428415989.db2.gz SDPWUGZOXIAVER-LJQANCHMSA-N 2 1 345.531 3.185 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2C(C)C)C1 ZINC001732171540 1428415993 /nfs/dbraw/zinc/41/59/93/1428415993.db2.gz SDPWUGZOXIAVER-LJQANCHMSA-N 2 1 345.531 3.185 20 0 EGADMP CCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001732187260 1428437810 /nfs/dbraw/zinc/43/78/10/1428437810.db2.gz QBFXFBPKKQEQAE-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001732488898 1428611801 /nfs/dbraw/zinc/61/18/01/1428611801.db2.gz ONNBXOSWAMFOCX-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](C[N@@H+](C)[C@H](C)c1ccc(F)cc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001699463085 1412821586 /nfs/dbraw/zinc/82/15/86/1412821586.db2.gz DCKFPJLKGPVSHS-HZPDHXFCSA-N 2 1 349.494 3.055 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CC1)C1CCCCC1 ZINC001699482172 1412876750 /nfs/dbraw/zinc/87/67/50/1412876750.db2.gz PLAKSTDQNSUMQQ-UYAOXDASSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCCC2)CC1 ZINC001699655283 1413038188 /nfs/dbraw/zinc/03/81/88/1413038188.db2.gz WONXJKKKFJBZIP-SFHVURJKSA-N 2 1 335.536 3.070 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001699828167 1413256607 /nfs/dbraw/zinc/25/66/07/1413256607.db2.gz YWJZBKWGILNAEI-OXJNMPFZSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001699828167 1413256610 /nfs/dbraw/zinc/25/66/10/1413256610.db2.gz YWJZBKWGILNAEI-OXJNMPFZSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001699828167 1413256612 /nfs/dbraw/zinc/25/66/12/1413256612.db2.gz YWJZBKWGILNAEI-OXJNMPFZSA-N 2 1 349.494 3.199 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001699856282 1413287930 /nfs/dbraw/zinc/28/79/30/1413287930.db2.gz WNTAWQNYGNPHHN-GHTZIAJQSA-N 2 1 343.515 3.060 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@]2(C)CCC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001699874877 1413329110 /nfs/dbraw/zinc/32/91/10/1413329110.db2.gz QYAOJBVBTOWFMK-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@@H+](C)CCC1CCN(C(=O)CN(C)Cc2ccccc2)CC1 ZINC001732551524 1428735479 /nfs/dbraw/zinc/73/54/79/1428735479.db2.gz GJYAMGISCRMACA-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCC[N@H+](C)CCC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001732551524 1428735481 /nfs/dbraw/zinc/73/54/81/1428735481.db2.gz GJYAMGISCRMACA-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCC[N@@H+](C)CCC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001732551524 1428735484 /nfs/dbraw/zinc/73/54/84/1428735484.db2.gz GJYAMGISCRMACA-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCC[NH+](C)CCC1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001732551524 1428735485 /nfs/dbraw/zinc/73/54/85/1428735485.db2.gz GJYAMGISCRMACA-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCC[NH+](C)CCC1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001732551524 1428735488 /nfs/dbraw/zinc/73/54/88/1428735488.db2.gz GJYAMGISCRMACA-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+](C)CCCC(C)(C)C ZINC001700473618 1414096117 /nfs/dbraw/zinc/09/61/17/1414096117.db2.gz GRQKUWSOMVLZDN-INIZCTEOSA-N 2 1 327.557 3.227 20 0 EGADMP C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@H+](C)CCCC(C)(C)C ZINC001700473618 1414096120 /nfs/dbraw/zinc/09/61/20/1414096120.db2.gz GRQKUWSOMVLZDN-INIZCTEOSA-N 2 1 327.557 3.227 20 0 EGADMP C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@@H+](C)CCCC(C)(C)C ZINC001700473618 1414096123 /nfs/dbraw/zinc/09/61/23/1414096123.db2.gz GRQKUWSOMVLZDN-INIZCTEOSA-N 2 1 327.557 3.227 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[N@H+](C)CC1CCCCC1 ZINC001700475005 1414098924 /nfs/dbraw/zinc/09/89/24/1414098924.db2.gz BMQYKBYVGRZMSB-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[N@@H+](C)CC1CCCCC1 ZINC001700475005 1414098927 /nfs/dbraw/zinc/09/89/27/1414098927.db2.gz BMQYKBYVGRZMSB-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001700488437 1414137974 /nfs/dbraw/zinc/13/79/74/1414137974.db2.gz YLLWGVITKMDQBI-RTBURBONSA-N 2 1 345.531 3.369 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@@H]21 ZINC001732604496 1428857695 /nfs/dbraw/zinc/85/76/95/1428857695.db2.gz BSXLPYDQRHZBPV-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+][C@H](C)c1ccccc1F ZINC001732975224 1429101942 /nfs/dbraw/zinc/10/19/42/1429101942.db2.gz VQCNEOGTMJHMRL-HUUCEWRRSA-N 2 1 346.450 3.001 20 0 EGADMP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@H](CC)c1ccc(F)cc1 ZINC001707054544 1417168926 /nfs/dbraw/zinc/16/89/26/1417168926.db2.gz QQHHOZVYRDHSDS-RTBURBONSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@H](CC)c1ccc(F)cc1 ZINC001707054544 1417168928 /nfs/dbraw/zinc/16/89/28/1417168928.db2.gz QQHHOZVYRDHSDS-RTBURBONSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](CC)c1ccc(F)cc1 ZINC001707054544 1417168932 /nfs/dbraw/zinc/16/89/32/1417168932.db2.gz QQHHOZVYRDHSDS-RTBURBONSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](CC)c1ccc(F)cc1 ZINC001707054544 1417168933 /nfs/dbraw/zinc/16/89/33/1417168933.db2.gz QQHHOZVYRDHSDS-RTBURBONSA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)CCCC(C)(C)C)C1 ZINC001713135306 1417715180 /nfs/dbraw/zinc/71/51/80/1417715180.db2.gz GXOSPGWCLRMNCQ-GOSISDBHSA-N 2 1 339.568 3.325 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)CCCC(C)(C)C)C1 ZINC001713135306 1417715181 /nfs/dbraw/zinc/71/51/81/1417715181.db2.gz GXOSPGWCLRMNCQ-GOSISDBHSA-N 2 1 339.568 3.325 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H](C[N@@H+](C)CCCC(C)(C)C)C1 ZINC001713135306 1417715183 /nfs/dbraw/zinc/71/51/83/1417715183.db2.gz GXOSPGWCLRMNCQ-GOSISDBHSA-N 2 1 339.568 3.325 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC2(CCC2)C1)[NH+](C)C ZINC001713256999 1417858093 /nfs/dbraw/zinc/85/80/93/1417858093.db2.gz SQKALEFXBBPVQM-RBUKOAKNSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001713467196 1418131068 /nfs/dbraw/zinc/13/10/68/1418131068.db2.gz COAMGTDWPOAPIP-KRWDZBQOSA-N 2 1 333.520 3.082 20 0 EGADMP Cc1cccc([C@H](C)[NH+](C)CCNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001713467196 1418131073 /nfs/dbraw/zinc/13/10/73/1418131073.db2.gz COAMGTDWPOAPIP-KRWDZBQOSA-N 2 1 333.520 3.082 20 0 EGADMP Cc1cccc([C@H](C)[NH+](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001713467196 1418131074 /nfs/dbraw/zinc/13/10/74/1418131074.db2.gz COAMGTDWPOAPIP-KRWDZBQOSA-N 2 1 333.520 3.082 20 0 EGADMP CC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)[C@H](C)c1ccccc1C ZINC001713494944 1418199679 /nfs/dbraw/zinc/19/96/79/1418199679.db2.gz OLUKUYBWWJRKFU-LJQANCHMSA-N 2 1 345.531 3.226 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1C(C)C)[NH+](C)C ZINC001713514680 1418248586 /nfs/dbraw/zinc/24/85/86/1418248586.db2.gz GGIFIOCFZIVDHK-QUCCMNQESA-N 2 1 345.531 3.231 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)CCC1 ZINC001713530639 1418278647 /nfs/dbraw/zinc/27/86/47/1418278647.db2.gz JPGYIVSTIPMUPM-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001713625528 1418399078 /nfs/dbraw/zinc/39/90/78/1418399078.db2.gz AFEAAKWCMRUNNL-FUHWJXTLSA-N 2 1 349.494 3.057 20 0 EGADMP CC1CC[NH+](CC(=O)N2CC[C@@H](C[N@@H+](C)CCCC3CCC3)C2)CC1 ZINC001713757234 1418562519 /nfs/dbraw/zinc/56/25/19/1418562519.db2.gz FOUIBISZTLIRJL-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001713791316 1418609261 /nfs/dbraw/zinc/60/92/61/1418609261.db2.gz GFYUIGQCRPBIFH-HXUWFJFHSA-N 2 1 349.563 3.413 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001713835402 1418633285 /nfs/dbraw/zinc/63/32/85/1418633285.db2.gz VOCOJWVZHQOUNX-PXNSSMCTSA-N 2 1 345.531 3.403 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001713835402 1418633286 /nfs/dbraw/zinc/63/32/86/1418633286.db2.gz VOCOJWVZHQOUNX-PXNSSMCTSA-N 2 1 345.531 3.403 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001713835402 1418633290 /nfs/dbraw/zinc/63/32/90/1418633290.db2.gz VOCOJWVZHQOUNX-PXNSSMCTSA-N 2 1 345.531 3.403 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001713896845 1418695346 /nfs/dbraw/zinc/69/53/46/1418695346.db2.gz LAGXONHWDNPIII-LJQANCHMSA-N 2 1 345.531 3.332 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001714146507 1418951398 /nfs/dbraw/zinc/95/13/98/1418951398.db2.gz XJHNBAGNPGGRKK-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001714146507 1418951402 /nfs/dbraw/zinc/95/14/02/1418951402.db2.gz XJHNBAGNPGGRKK-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001714146507 1418951404 /nfs/dbraw/zinc/95/14/04/1418951404.db2.gz XJHNBAGNPGGRKK-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001714149808 1418955993 /nfs/dbraw/zinc/95/59/93/1418955993.db2.gz FUFDNFJMGCXZRQ-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](NC(=O)C[NH+](C)C1CCC1)[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001714149808 1418955995 /nfs/dbraw/zinc/95/59/95/1418955995.db2.gz FUFDNFJMGCXZRQ-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](NC(=O)C[NH+](C)C1CCC1)[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001714149808 1418955997 /nfs/dbraw/zinc/95/59/97/1418955997.db2.gz FUFDNFJMGCXZRQ-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001714413723 1419152101 /nfs/dbraw/zinc/15/21/01/1419152101.db2.gz XTQXOIOGHBBYEY-MOPGFXCFSA-N 2 1 337.552 3.316 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c(C)c1 ZINC001714445518 1419177002 /nfs/dbraw/zinc/17/70/02/1419177002.db2.gz JWNZPGDILCSGGP-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001714453743 1419186325 /nfs/dbraw/zinc/18/63/25/1419186325.db2.gz KVLHDJWBXUFGMT-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP C[NH+](CC(=O)NCC[N@H+](C)CC1CCC(C)(C)CC1)CC(C)(C)C ZINC001714560231 1419287752 /nfs/dbraw/zinc/28/77/52/1419287752.db2.gz NKMJXNIYCYDKSR-UHFFFAOYSA-N 2 1 339.568 3.229 20 0 EGADMP C[NH+](CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1CCC(C)(C)CC1 ZINC001714560231 1419287754 /nfs/dbraw/zinc/28/77/54/1419287754.db2.gz NKMJXNIYCYDKSR-UHFFFAOYSA-N 2 1 339.568 3.229 20 0 EGADMP C[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1CCC(C)(C)CC1 ZINC001714560231 1419287755 /nfs/dbraw/zinc/28/77/55/1419287755.db2.gz NKMJXNIYCYDKSR-UHFFFAOYSA-N 2 1 339.568 3.229 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(C)cc2)CC1 ZINC001714819018 1419528852 /nfs/dbraw/zinc/52/88/52/1419528852.db2.gz WBAQTJRXSQBIEH-GOSISDBHSA-N 2 1 345.531 3.054 20 0 EGADMP CCCN(C(=O)CCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001714867856 1419595962 /nfs/dbraw/zinc/59/59/62/1419595962.db2.gz XFOUNQXTMRRLLA-SOAGJPPSSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001714900743 1419642184 /nfs/dbraw/zinc/64/21/84/1419642184.db2.gz VPAQIPIPJZALOT-SJORKVTESA-N 2 1 349.494 3.009 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001714922209 1419674960 /nfs/dbraw/zinc/67/49/60/1419674960.db2.gz PNSKNDQUHUABNZ-FRQCXROJSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001714922209 1419674965 /nfs/dbraw/zinc/67/49/65/1419674965.db2.gz PNSKNDQUHUABNZ-FRQCXROJSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001714924191 1419677191 /nfs/dbraw/zinc/67/71/91/1419677191.db2.gz LYTBPUNWJXXDLZ-FQEVSTJZSA-N 2 1 345.531 3.379 20 0 EGADMP CC[C@@H](CNC(=O)CC[N@@H+](C)CC)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001715079652 1419815795 /nfs/dbraw/zinc/81/57/95/1419815795.db2.gz AAWSIOVBPSQLEF-HKUYNNGSSA-N 2 1 349.494 3.029 20 0 EGADMP CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001715205315 1419939573 /nfs/dbraw/zinc/93/95/73/1419939573.db2.gz NPEPMSSFRHWYFB-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CCc1cnc[nH]1)c1ccccc1Cl ZINC001715233986 1419965577 /nfs/dbraw/zinc/96/55/77/1419965577.db2.gz OHHFGZMANUZMHX-ZIAGYGMSSA-N 2 1 348.878 3.099 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC001715270503 1419986520 /nfs/dbraw/zinc/98/65/20/1419986520.db2.gz FLBPJIUGLAOPGJ-YLJYHZDGSA-N 2 1 345.531 3.020 20 0 EGADMP CCC[N@H+](C)CCC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001715485615 1420166282 /nfs/dbraw/zinc/16/62/82/1420166282.db2.gz TXDJNZSBAOANBQ-HXUWFJFHSA-N 2 1 345.531 3.260 20 0 EGADMP CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001715485615 1420166283 /nfs/dbraw/zinc/16/62/83/1420166283.db2.gz TXDJNZSBAOANBQ-HXUWFJFHSA-N 2 1 345.531 3.260 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001715568541 1420257605 /nfs/dbraw/zinc/25/76/05/1420257605.db2.gz XZDBZVYIBCGJJT-WOJBJXKFSA-N 2 1 345.531 3.020 20 0 EGADMP Cc1nccn1CC(=O)NCC[N@@H+](CC1CCC1)C1CCCCCC1 ZINC001733278661 1429446781 /nfs/dbraw/zinc/44/67/81/1429446781.db2.gz JNNOTBPITHCQDT-UHFFFAOYSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCC[N@H+](CC1CCC1)C1CCCCCC1 ZINC001733278661 1429446784 /nfs/dbraw/zinc/44/67/84/1429446784.db2.gz JNNOTBPITHCQDT-UHFFFAOYSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](CC1CCC1)C1CCCCCC1 ZINC001733278661 1429446787 /nfs/dbraw/zinc/44/67/87/1429446787.db2.gz JNNOTBPITHCQDT-UHFFFAOYSA-N 2 1 346.519 3.133 20 0 EGADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2C1)[NH+](CC)CC ZINC001717012423 1421077819 /nfs/dbraw/zinc/07/78/19/1421077819.db2.gz KGTDSGMTHSQUQV-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(C)c1 ZINC001717214491 1421191277 /nfs/dbraw/zinc/19/12/77/1421191277.db2.gz YAOAHHAXLLUVBB-HXUWFJFHSA-N 2 1 347.547 3.170 20 0 EGADMP CCc1cccc(C[N@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)c1 ZINC001717338074 1421275496 /nfs/dbraw/zinc/27/54/96/1421275496.db2.gz PKHSJDKFOMFCLF-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC(CC)C[N@H+]1CCCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001717537464 1421475537 /nfs/dbraw/zinc/47/55/37/1421475537.db2.gz FIDXSWPZTXLWFH-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccc(C)cc1C)C(C)(C)C ZINC001717970139 1421741888 /nfs/dbraw/zinc/74/18/88/1421741888.db2.gz KCOVXIYKZKAZDP-LJQANCHMSA-N 2 1 347.547 3.266 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)(C)C)C1CCC1 ZINC001733390574 1429579900 /nfs/dbraw/zinc/57/99/00/1429579900.db2.gz FGAUJVJHVIKFDC-MOPGFXCFSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)(C)C)C1CCC1 ZINC001733390574 1429579906 /nfs/dbraw/zinc/57/99/06/1429579906.db2.gz FGAUJVJHVIKFDC-MOPGFXCFSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C)C1CCC1 ZINC001733390574 1429579909 /nfs/dbraw/zinc/57/99/09/1429579909.db2.gz FGAUJVJHVIKFDC-MOPGFXCFSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1(C)CC[NH+](Cc2ccccc2C)CC1 ZINC001724301521 1424785507 /nfs/dbraw/zinc/78/55/07/1424785507.db2.gz CJGGOZFUUVOVNW-UHFFFAOYSA-N 2 1 345.531 3.055 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001724839071 1425187437 /nfs/dbraw/zinc/18/74/37/1425187437.db2.gz QZAOFWZQWJYSMI-IEBWSBKVSA-N 2 1 343.515 3.203 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001724843682 1425193062 /nfs/dbraw/zinc/19/30/62/1425193062.db2.gz NQTVYWNPTYCCNR-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2F)[C@@H](C)C1 ZINC001725002650 1425412444 /nfs/dbraw/zinc/41/24/44/1425412444.db2.gz LMQGBFPWRUXSTK-WMZOPIPTSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2F)[C@@H](C)C1 ZINC001725002650 1425412445 /nfs/dbraw/zinc/41/24/45/1425412445.db2.gz LMQGBFPWRUXSTK-WMZOPIPTSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2F)[C@@H](C)C1 ZINC001725002650 1425412447 /nfs/dbraw/zinc/41/24/47/1425412447.db2.gz LMQGBFPWRUXSTK-WMZOPIPTSA-N 2 1 349.494 3.027 20 0 EGADMP Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001725565000 1426227224 /nfs/dbraw/zinc/22/72/24/1426227224.db2.gz ITGQGSHAJUDMDL-PKOBYXMFSA-N 2 1 345.531 3.052 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)[C@@H]1C ZINC001725691590 1426374797 /nfs/dbraw/zinc/37/47/97/1426374797.db2.gz XCVUYFRKUNKQSD-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H]([NH2+]CCCC(C)C)C1 ZINC001731433201 1427415304 /nfs/dbraw/zinc/41/53/04/1427415304.db2.gz PCASLGDMSGGAIS-IRXDYDNUSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001731536198 1427533445 /nfs/dbraw/zinc/53/34/45/1427533445.db2.gz MCUPVJJSKXHXLZ-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001731536198 1427533449 /nfs/dbraw/zinc/53/34/49/1427533449.db2.gz MCUPVJJSKXHXLZ-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001731536198 1427533450 /nfs/dbraw/zinc/53/34/50/1427533450.db2.gz MCUPVJJSKXHXLZ-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CCC1CCCC1 ZINC001731782160 1427906553 /nfs/dbraw/zinc/90/65/53/1427906553.db2.gz FNSNUGGAZKIRGJ-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)CCC1CCCC1 ZINC001731782160 1427906557 /nfs/dbraw/zinc/90/65/57/1427906557.db2.gz FNSNUGGAZKIRGJ-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)CCC1CCCC1 ZINC001731782160 1427906560 /nfs/dbraw/zinc/90/65/60/1427906560.db2.gz FNSNUGGAZKIRGJ-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](CCCC1CCC1)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001731807342 1427980950 /nfs/dbraw/zinc/98/09/50/1427980950.db2.gz RYDMETDQJJRNJY-UHFFFAOYSA-N 2 1 342.487 3.275 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001731842094 1428063749 /nfs/dbraw/zinc/06/37/49/1428063749.db2.gz NYDLVHZEXIRAOS-AZUAARDMSA-N 2 1 343.515 3.204 20 0 EGADMP CCC[N@H+](C/C=C/c1ccccc1)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001731865501 1428112487 /nfs/dbraw/zinc/11/24/87/1428112487.db2.gz ABPAGVXQQFWYJT-RGFVMQALSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C/C=C/c1ccccc1)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001731865501 1428112492 /nfs/dbraw/zinc/11/24/92/1428112492.db2.gz ABPAGVXQQFWYJT-RGFVMQALSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C/C=C/c1ccccc1)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001731865501 1428112493 /nfs/dbraw/zinc/11/24/93/1428112493.db2.gz ABPAGVXQQFWYJT-RGFVMQALSA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001731972626 1428189834 /nfs/dbraw/zinc/18/98/34/1428189834.db2.gz VFYOZKXONLMMHW-KRWDZBQOSA-N 2 1 341.499 3.291 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21 ZINC001733602651 1429809435 /nfs/dbraw/zinc/80/94/35/1429809435.db2.gz ZSCUOZDSHGGRSS-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@H](C)CC(C)C)CC1(C)C ZINC001733877578 1437704586 /nfs/dbraw/zinc/70/45/86/1437704586.db2.gz CPRWKCILWPURQL-MSOLQXFVSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](C[C@H](C)CC(C)C)CC1(C)C ZINC001733877578 1437704588 /nfs/dbraw/zinc/70/45/88/1437704588.db2.gz CPRWKCILWPURQL-MSOLQXFVSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](C[C@H](C)CC(C)C)CC1(C)C ZINC001733877578 1437704590 /nfs/dbraw/zinc/70/45/90/1437704590.db2.gz CPRWKCILWPURQL-MSOLQXFVSA-N 2 1 339.568 3.227 20 0 EGADMP CC1(C)C[N@@H+](CC2CCC2)CC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001733880126 1437706545 /nfs/dbraw/zinc/70/65/45/1437706545.db2.gz XHPABKYLKADLAZ-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001734054488 1437845169 /nfs/dbraw/zinc/84/51/69/1437845169.db2.gz TVMYIJMPIGPJGN-QGZVFWFLSA-N 2 1 347.547 3.163 20 0 EGADMP CCc1cccc(C[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001734054488 1437845172 /nfs/dbraw/zinc/84/51/72/1437845172.db2.gz TVMYIJMPIGPJGN-QGZVFWFLSA-N 2 1 347.547 3.163 20 0 EGADMP CCc1cccc(C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001734054488 1437845173 /nfs/dbraw/zinc/84/51/73/1437845173.db2.gz TVMYIJMPIGPJGN-QGZVFWFLSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001734128681 1437906344 /nfs/dbraw/zinc/90/63/44/1437906344.db2.gz NTZRKKPEWMUMAH-HOTGVXAUSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]CCC1CCCCCC1 ZINC001734327690 1438052620 /nfs/dbraw/zinc/05/26/20/1438052620.db2.gz CGOAOJCGUUBXIL-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001734456191 1438113321 /nfs/dbraw/zinc/11/33/21/1438113321.db2.gz GXULZFCUHLVSOK-LPHOPBHVSA-N 2 1 348.535 3.377 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001734456191 1438113323 /nfs/dbraw/zinc/11/33/23/1438113323.db2.gz GXULZFCUHLVSOK-LPHOPBHVSA-N 2 1 348.535 3.377 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1CCCC1 ZINC001752157422 1440147571 /nfs/dbraw/zinc/14/75/71/1440147571.db2.gz QBFNWTIHDLKLPD-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)CC2CC3(CCC3)C2)CC[N@H+]1C ZINC001752181934 1440151265 /nfs/dbraw/zinc/15/12/65/1440151265.db2.gz PYBAIPLYFFDZSU-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](CC)CC2CC3(CCC3)C2)CC[NH+]1C ZINC001752181934 1440151266 /nfs/dbraw/zinc/15/12/66/1440151266.db2.gz PYBAIPLYFFDZSU-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](CC)CC2CC3(CCC3)C2)CC[NH+]1C ZINC001752181934 1440151268 /nfs/dbraw/zinc/15/12/68/1440151268.db2.gz PYBAIPLYFFDZSU-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001752527658 1440193451 /nfs/dbraw/zinc/19/34/51/1440193451.db2.gz LVIGHMQNHHYCQR-RBUKOAKNSA-N 2 1 345.531 3.260 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001752527658 1440193452 /nfs/dbraw/zinc/19/34/52/1440193452.db2.gz LVIGHMQNHHYCQR-RBUKOAKNSA-N 2 1 345.531 3.260 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H](C[N@@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001752527658 1440193453 /nfs/dbraw/zinc/19/34/53/1440193453.db2.gz LVIGHMQNHHYCQR-RBUKOAKNSA-N 2 1 345.531 3.260 20 0 EGADMP CCCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001752705748 1440202364 /nfs/dbraw/zinc/20/23/64/1440202364.db2.gz BIKWGFOCJBLNIS-RTBURBONSA-N 2 1 346.519 3.085 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001752705748 1440202365 /nfs/dbraw/zinc/20/23/65/1440202365.db2.gz BIKWGFOCJBLNIS-RTBURBONSA-N 2 1 346.519 3.085 20 0 EGADMP CC[C@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001752825913 1440223672 /nfs/dbraw/zinc/22/36/72/1440223672.db2.gz BZAQWERLYALGFR-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001752825913 1440223673 /nfs/dbraw/zinc/22/36/73/1440223673.db2.gz BZAQWERLYALGFR-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@H](C)C[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001752825913 1440223674 /nfs/dbraw/zinc/22/36/74/1440223674.db2.gz BZAQWERLYALGFR-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@H](C)C[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001752825913 1440223675 /nfs/dbraw/zinc/22/36/75/1440223675.db2.gz BZAQWERLYALGFR-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001752826993 1440223958 /nfs/dbraw/zinc/22/39/58/1440223958.db2.gz IGDJXHBJGSSDSL-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001752828238 1440224572 /nfs/dbraw/zinc/22/45/72/1440224572.db2.gz SQCXYGLEPITDKR-SBUVDCAVSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001752828238 1440224573 /nfs/dbraw/zinc/22/45/73/1440224573.db2.gz SQCXYGLEPITDKR-SBUVDCAVSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001752828238 1440224574 /nfs/dbraw/zinc/22/45/74/1440224574.db2.gz SQCXYGLEPITDKR-SBUVDCAVSA-N 2 1 349.563 3.434 20 0 EGADMP CCCC[NH2+]C1CCC(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001752854738 1440234632 /nfs/dbraw/zinc/23/46/32/1440234632.db2.gz UIOMXSCXWZURDV-MHJFOBGBSA-N 2 1 345.531 3.497 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](C)[NH2+]Cc1csc(C)c1 ZINC001752875556 1440237856 /nfs/dbraw/zinc/23/78/56/1440237856.db2.gz KJBZRRRENPDBFP-KBPBESRZSA-N 2 1 348.516 3.061 20 0 EGADMP CCC/C=C/CC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001752900664 1440242781 /nfs/dbraw/zinc/24/27/81/1440242781.db2.gz JZADCCNWCGKVRO-UHMOSQCASA-N 2 1 341.515 3.040 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)CC1CCCCC1 ZINC001753091284 1440299396 /nfs/dbraw/zinc/29/93/96/1440299396.db2.gz PMMCOYIFBMTUBY-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1F)[NH+](CC)CC ZINC001753112244 1440309170 /nfs/dbraw/zinc/30/91/70/1440309170.db2.gz YPKQKEFITOWMKS-IEBWSBKVSA-N 2 1 349.494 3.027 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1F)[NH+](CC)CC ZINC001753112244 1440309171 /nfs/dbraw/zinc/30/91/71/1440309171.db2.gz YPKQKEFITOWMKS-IEBWSBKVSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@@H](C)c1cccc(C)c1 ZINC001753115614 1440311048 /nfs/dbraw/zinc/31/10/48/1440311048.db2.gz GESOTHJSEWPUEI-AZUAARDMSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)c1cccc(C)c1 ZINC001753115614 1440311049 /nfs/dbraw/zinc/31/10/49/1440311049.db2.gz GESOTHJSEWPUEI-AZUAARDMSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)c1cccc(C)c1 ZINC001753115614 1440311050 /nfs/dbraw/zinc/31/10/50/1440311050.db2.gz GESOTHJSEWPUEI-AZUAARDMSA-N 2 1 345.531 3.369 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1Cc1ccsc1 ZINC001753119787 1440313137 /nfs/dbraw/zinc/31/31/37/1440313137.db2.gz QJIJYFFFRXWIKQ-SFHVURJKSA-N 2 1 349.544 3.095 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1Cc1ccsc1 ZINC001753119786 1440313153 /nfs/dbraw/zinc/31/31/53/1440313153.db2.gz QJIJYFFFRXWIKQ-GOSISDBHSA-N 2 1 349.544 3.095 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@H+](CCC(C)(C)C)C1)c1ccccc1 ZINC001753140633 1440320923 /nfs/dbraw/zinc/32/09/23/1440320923.db2.gz PIMUWOMBCFBASS-IEBWSBKVSA-N 2 1 345.531 3.164 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCC(C)(C)C)C1)c1ccccc1 ZINC001753140633 1440320924 /nfs/dbraw/zinc/32/09/24/1440320924.db2.gz PIMUWOMBCFBASS-IEBWSBKVSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)CC1CCCCC1 ZINC001753143455 1440322943 /nfs/dbraw/zinc/32/29/43/1440322943.db2.gz SLKLFJZWSNKAML-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC1CCCCC1 ZINC001753143455 1440322944 /nfs/dbraw/zinc/32/29/44/1440322944.db2.gz SLKLFJZWSNKAML-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)CC1CCCCC1 ZINC001753143455 1440322945 /nfs/dbraw/zinc/32/29/45/1440322945.db2.gz SLKLFJZWSNKAML-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CCC1CCCC1 ZINC001753148959 1440326465 /nfs/dbraw/zinc/32/64/65/1440326465.db2.gz SSHHOQGGDAWMPA-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)CCC1CCCC1 ZINC001753148959 1440326466 /nfs/dbraw/zinc/32/64/66/1440326466.db2.gz SSHHOQGGDAWMPA-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)CCC1CCCC1 ZINC001753148959 1440326467 /nfs/dbraw/zinc/32/64/67/1440326467.db2.gz SSHHOQGGDAWMPA-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C1CC1 ZINC001753156188 1440331121 /nfs/dbraw/zinc/33/11/21/1440331121.db2.gz NZDYGPPTRVIUMH-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001753156188 1440331122 /nfs/dbraw/zinc/33/11/22/1440331122.db2.gz NZDYGPPTRVIUMH-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001753156188 1440331123 /nfs/dbraw/zinc/33/11/23/1440331123.db2.gz NZDYGPPTRVIUMH-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC/C=C\c1ccccc1 ZINC001753265321 1440344796 /nfs/dbraw/zinc/34/47/96/1440344796.db2.gz BAZODRFZXFFRGC-HEFNWKINSA-N 2 1 343.515 3.012 20 0 EGADMP CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001753329258 1440368155 /nfs/dbraw/zinc/36/81/55/1440368155.db2.gz XUJPBWWOBGNRBO-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001753329258 1440368156 /nfs/dbraw/zinc/36/81/56/1440368156.db2.gz XUJPBWWOBGNRBO-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001753329258 1440368157 /nfs/dbraw/zinc/36/81/57/1440368157.db2.gz XUJPBWWOBGNRBO-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](CCC1CCCC1)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001753358803 1440381586 /nfs/dbraw/zinc/38/15/86/1440381586.db2.gz BOWGZZNQRNIUKN-FQEVSTJZSA-N 2 1 349.563 3.223 20 0 EGADMP CC/C=C\CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001753364021 1440384117 /nfs/dbraw/zinc/38/41/17/1440384117.db2.gz MEUNRXDQZZEELM-PXDRNWIDSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001753364021 1440384118 /nfs/dbraw/zinc/38/41/18/1440384118.db2.gz MEUNRXDQZZEELM-PXDRNWIDSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001753364021 1440384119 /nfs/dbraw/zinc/38/41/19/1440384119.db2.gz MEUNRXDQZZEELM-PXDRNWIDSA-N 2 1 349.563 3.388 20 0 EGADMP C[N@@H+](CCC1CCCC1)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001753366356 1440385503 /nfs/dbraw/zinc/38/55/03/1440385503.db2.gz XKOWJVQWCSLMRS-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@@H+](CC1CCC1)CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001753367355 1440386239 /nfs/dbraw/zinc/38/62/39/1440386239.db2.gz HNMZNFXCYDUONP-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC/C=C/CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC001753506903 1440424836 /nfs/dbraw/zinc/42/48/36/1440424836.db2.gz GLEYLVUKNGHIBS-ZBKUBXTQSA-N 2 1 335.536 3.092 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CC3CCCC3)C2)CC[N@H+]1C ZINC001753554347 1440435604 /nfs/dbraw/zinc/43/56/04/1440435604.db2.gz XSRYHHVYGWMRQD-SXLOBPIMSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001753595027 1440444302 /nfs/dbraw/zinc/44/43/02/1440444302.db2.gz QORAILYYNNZJSX-IBGZPJMESA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCCC1 ZINC001753671127 1440462089 /nfs/dbraw/zinc/46/20/89/1440462089.db2.gz RLXSPUPJYYGVSQ-XFHJGTJQSA-N 2 1 335.536 3.236 20 0 EGADMP CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001753675206 1440463238 /nfs/dbraw/zinc/46/32/38/1440463238.db2.gz VVIMBRNYVMPZHS-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H](C[NH2+]CC1CCC2(CC2)CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001753709518 1440470223 /nfs/dbraw/zinc/47/02/23/1440470223.db2.gz ZXRGDGSNBYJSGK-SCTDSRPQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH2+]C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC001753750025 1440482345 /nfs/dbraw/zinc/48/23/45/1440482345.db2.gz WDPSNKVUMWQPOT-HXUWFJFHSA-N 2 1 345.531 3.182 20 0 EGADMP CC(C)[NH2+]C[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C1CCCCC1 ZINC001753750025 1440482346 /nfs/dbraw/zinc/48/23/46/1440482346.db2.gz WDPSNKVUMWQPOT-HXUWFJFHSA-N 2 1 345.531 3.182 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CC[NH2+]CC2=CCCCC2)C1 ZINC001753798259 1440490242 /nfs/dbraw/zinc/49/02/42/1440490242.db2.gz WJYAJVXIOWDEGO-ICSRJNTNSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCCC1CCC1 ZINC001753811950 1440492920 /nfs/dbraw/zinc/49/29/20/1440492920.db2.gz BWHPMBRRIKSENG-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(CC)cc1 ZINC001753854305 1440508204 /nfs/dbraw/zinc/50/82/04/1440508204.db2.gz FYTXESVTUYOTTJ-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(CC)cc1 ZINC001753854305 1440508205 /nfs/dbraw/zinc/50/82/05/1440508205.db2.gz FYTXESVTUYOTTJ-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(CC)cc1 ZINC001753854305 1440508206 /nfs/dbraw/zinc/50/82/06/1440508206.db2.gz FYTXESVTUYOTTJ-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCN(CC[NH2+]CCCC1CCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001754071511 1440538184 /nfs/dbraw/zinc/53/81/84/1440538184.db2.gz DHLOJJBEWWNVID-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP O=C(NC/C=C/C[NH2+]CCC1CCCCC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001754180363 1440548111 /nfs/dbraw/zinc/54/81/11/1440548111.db2.gz AGZJTMMYKYCOKR-UVEXCMSLSA-N 2 1 347.547 3.236 20 0 EGADMP CCCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001754310620 1440573118 /nfs/dbraw/zinc/57/31/18/1440573118.db2.gz JKTSPTTUESZULZ-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001754310620 1440573119 /nfs/dbraw/zinc/57/31/19/1440573119.db2.gz JKTSPTTUESZULZ-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001754310620 1440573120 /nfs/dbraw/zinc/57/31/20/1440573120.db2.gz JKTSPTTUESZULZ-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001754371038 1440592658 /nfs/dbraw/zinc/59/26/58/1440592658.db2.gz VOKRNMKPKIBDNC-QUCCMNQESA-N 2 1 345.531 3.367 20 0 EGADMP C[C@@H](C(=O)NC[C@H]1CC[N@H+]1CCC1=CCCCC1)[NH+]1CCCCCC1 ZINC001754495155 1440611809 /nfs/dbraw/zinc/61/18/09/1440611809.db2.gz GITUGYVWIVNRGC-AZUAARDMSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001754619533 1440645118 /nfs/dbraw/zinc/64/51/18/1440645118.db2.gz AMUNIKQXWROZSD-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC1(C)CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001754629419 1440647352 /nfs/dbraw/zinc/64/73/52/1440647352.db2.gz BVKQFTAGDDEHDN-MRXNPFEDSA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001754630339 1440647616 /nfs/dbraw/zinc/64/76/16/1440647616.db2.gz XPXLJMFCECUPSX-IBGZPJMESA-N 2 1 345.531 3.449 20 0 EGADMP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001754696044 1440667004 /nfs/dbraw/zinc/66/70/04/1440667004.db2.gz VRNWQWIXPPXVFL-WIYYLYMNSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001754734488 1440681492 /nfs/dbraw/zinc/68/14/92/1440681492.db2.gz WOQXMKQRYBCUQQ-FQEVSTJZSA-N 2 1 337.552 3.127 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC(C)(C)C ZINC001754865492 1440702772 /nfs/dbraw/zinc/70/27/72/1440702772.db2.gz MTKHGPOCEHKVIP-CEXWTWQISA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC(C)(C)C ZINC001754865492 1440702773 /nfs/dbraw/zinc/70/27/73/1440702773.db2.gz MTKHGPOCEHKVIP-CEXWTWQISA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC(C)(C)C ZINC001754865492 1440702774 /nfs/dbraw/zinc/70/27/74/1440702774.db2.gz MTKHGPOCEHKVIP-CEXWTWQISA-N 2 1 349.563 3.362 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001754869846 1440704533 /nfs/dbraw/zinc/70/45/33/1440704533.db2.gz QPTQOXQBRKWDGD-IPMKNSEASA-N 2 1 337.552 3.362 20 0 EGADMP CCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001754952113 1440715260 /nfs/dbraw/zinc/71/52/60/1440715260.db2.gz RKQPWQXXHWLINV-GUDVDZBRSA-N 2 1 337.552 3.314 20 0 EGADMP CC1CC(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@H+]3C3CCCC3)CCC2)C1 ZINC001754981940 1440721538 /nfs/dbraw/zinc/72/15/38/1440721538.db2.gz MIFIPCIECZGMMI-FAFZWHIHSA-N 2 1 347.547 3.068 20 0 EGADMP O=C(NCC1([NH2+]CCC2CCCC2)CCC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001754988238 1440723494 /nfs/dbraw/zinc/72/34/94/1440723494.db2.gz WGXUFTDLJCVNBV-RBUKOAKNSA-N 2 1 347.547 3.212 20 0 EGADMP CCC1([NH2+]CC2CCC2)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001755070174 1440746306 /nfs/dbraw/zinc/74/63/06/1440746306.db2.gz VZEOXDPOJQKIIJ-OALUTQOASA-N 2 1 347.547 3.164 20 0 EGADMP CCCCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001755075338 1440748256 /nfs/dbraw/zinc/74/82/56/1440748256.db2.gz DTMHMQPTXUSTHS-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP CCCCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001755075338 1440748257 /nfs/dbraw/zinc/74/82/57/1440748257.db2.gz DTMHMQPTXUSTHS-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP CCCCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001755075338 1440748258 /nfs/dbraw/zinc/74/82/58/1440748258.db2.gz DTMHMQPTXUSTHS-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP CC(C)CC[N@H+]1Cc2ccc(CNC(=O)CCC[NH+](C)C)cc2C1 ZINC001755102559 1440753325 /nfs/dbraw/zinc/75/33/25/1440753325.db2.gz YJVIFKIQCLDAQP-UHFFFAOYSA-N 2 1 331.504 3.006 20 0 EGADMP CC[C@H](C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001755130973 1440757203 /nfs/dbraw/zinc/75/72/03/1440757203.db2.gz YGUIYYAVCMEBQT-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)CC1(C)C ZINC001755141868 1440760876 /nfs/dbraw/zinc/76/08/76/1440760876.db2.gz KOBSECDDPJFXLE-IEBWSBKVSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)CC1(C)C ZINC001755141868 1440760877 /nfs/dbraw/zinc/76/08/77/1440760877.db2.gz KOBSECDDPJFXLE-IEBWSBKVSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)CC1(C)C ZINC001755141868 1440760878 /nfs/dbraw/zinc/76/08/78/1440760878.db2.gz KOBSECDDPJFXLE-IEBWSBKVSA-N 2 1 345.531 3.306 20 0 EGADMP C[N@@H+](CCC(C)(C)C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001755195171 1440776588 /nfs/dbraw/zinc/77/65/88/1440776588.db2.gz KQTSJVYHTBVTKK-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCC(C)(C)C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001755195171 1440776589 /nfs/dbraw/zinc/77/65/89/1440776589.db2.gz KQTSJVYHTBVTKK-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCC(C)(C)C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001755195171 1440776590 /nfs/dbraw/zinc/77/65/90/1440776590.db2.gz KQTSJVYHTBVTKK-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001755209095 1440782852 /nfs/dbraw/zinc/78/28/52/1440782852.db2.gz IJPIVBCDHGXMJT-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP Cc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001755281630 1440800806 /nfs/dbraw/zinc/80/08/06/1440800806.db2.gz PMPXLXGWKUNAQK-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP CCc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCC[NH+]2C(C)C)c1 ZINC001755300526 1440808036 /nfs/dbraw/zinc/80/80/36/1440808036.db2.gz RQAQDRHCLRYOOE-PXNSSMCTSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1cccc(C[NH+](C)[C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001755300526 1440808037 /nfs/dbraw/zinc/80/80/37/1440808037.db2.gz RQAQDRHCLRYOOE-PXNSSMCTSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1cccc(C[NH+](C)[C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001755300526 1440808038 /nfs/dbraw/zinc/80/80/38/1440808038.db2.gz RQAQDRHCLRYOOE-PXNSSMCTSA-N 2 1 345.531 3.058 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)[NH+](C)CC1CCCC1 ZINC001755312930 1440814291 /nfs/dbraw/zinc/81/42/91/1440814291.db2.gz JUXNLCTZTMRBTE-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)[N@H+](C)CC1CCCC1 ZINC001755312930 1440814292 /nfs/dbraw/zinc/81/42/92/1440814292.db2.gz JUXNLCTZTMRBTE-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)[N@@H+](C)CC1CCCC1 ZINC001755312930 1440814293 /nfs/dbraw/zinc/81/42/93/1440814293.db2.gz JUXNLCTZTMRBTE-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC1(C[NH2+]CCC2CCCC2)CCCCC1 ZINC001755355946 1440829454 /nfs/dbraw/zinc/82/94/54/1440829454.db2.gz BFOATVGJUJYRPF-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP CCCCC[N@H+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001755366050 1440834322 /nfs/dbraw/zinc/83/43/22/1440834322.db2.gz JJPGZNKYJPPOGE-OALUTQOASA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001755366050 1440834323 /nfs/dbraw/zinc/83/43/23/1440834323.db2.gz JJPGZNKYJPPOGE-OALUTQOASA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001755366050 1440834324 /nfs/dbraw/zinc/83/43/24/1440834324.db2.gz JJPGZNKYJPPOGE-OALUTQOASA-N 2 1 337.552 3.412 20 0 EGADMP CCC/C=C\CC[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001755365622 1440834406 /nfs/dbraw/zinc/83/44/06/1440834406.db2.gz IHRSKLXFFHCBGH-VOFKWLDRSA-N 2 1 346.519 3.299 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001755365622 1440834407 /nfs/dbraw/zinc/83/44/07/1440834407.db2.gz IHRSKLXFFHCBGH-VOFKWLDRSA-N 2 1 346.519 3.299 20 0 EGADMP CCCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001755367536 1440835335 /nfs/dbraw/zinc/83/53/35/1440835335.db2.gz HXYZNBAPJAXGFO-OALUTQOASA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001755367536 1440835336 /nfs/dbraw/zinc/83/53/36/1440835336.db2.gz HXYZNBAPJAXGFO-OALUTQOASA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001755367536 1440835337 /nfs/dbraw/zinc/83/53/37/1440835337.db2.gz HXYZNBAPJAXGFO-OALUTQOASA-N 2 1 337.552 3.412 20 0 EGADMP CC(C)CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001755368833 1440836361 /nfs/dbraw/zinc/83/63/61/1440836361.db2.gz WJIDWTYJBCYKHE-CTNGQTDRSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001755368833 1440836362 /nfs/dbraw/zinc/83/63/62/1440836362.db2.gz WJIDWTYJBCYKHE-CTNGQTDRSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001755368833 1440836363 /nfs/dbraw/zinc/83/63/63/1440836363.db2.gz WJIDWTYJBCYKHE-CTNGQTDRSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCC2CC2)CC1(C)C)[NH+]1CCCCC1 ZINC001755416564 1440849184 /nfs/dbraw/zinc/84/91/84/1440849184.db2.gz UTJQBRUYYNXFQG-RTBURBONSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001755519630 1440864775 /nfs/dbraw/zinc/86/47/75/1440864775.db2.gz BHRQAPBQPUZDDQ-OALUTQOASA-N 2 1 345.531 3.020 20 0 EGADMP CC[C@H](C(=O)N1CCC([N@@H+](C)CCC(C)C)CC1)[NH+](CC)CC ZINC001755533114 1440868193 /nfs/dbraw/zinc/86/81/93/1440868193.db2.gz JPLDJVDQLZRLAQ-GOSISDBHSA-N 2 1 325.541 3.076 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)[C@@H]1C ZINC001755722007 1440907705 /nfs/dbraw/zinc/90/77/05/1440907705.db2.gz DNQKLVXKDTXWDH-SJORKVTESA-N 2 1 325.541 3.122 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)[C@@H]1C ZINC001755722007 1440907706 /nfs/dbraw/zinc/90/77/06/1440907706.db2.gz DNQKLVXKDTXWDH-SJORKVTESA-N 2 1 325.541 3.122 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)[C@@H]1C ZINC001755722007 1440907707 /nfs/dbraw/zinc/90/77/07/1440907707.db2.gz DNQKLVXKDTXWDH-SJORKVTESA-N 2 1 325.541 3.122 20 0 EGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)c(C)c1 ZINC001755724725 1440908941 /nfs/dbraw/zinc/90/89/41/1440908941.db2.gz XHIKCFIQKMCXEF-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC001755764472 1440915669 /nfs/dbraw/zinc/91/56/69/1440915669.db2.gz TZRGRBIHARALJW-ZWKOTPCHSA-N 2 1 337.552 3.122 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+](C)CCN(C(=O)CC[NH+](C)C)C(C)C)c1 ZINC001755812507 1440921052 /nfs/dbraw/zinc/92/10/52/1440921052.db2.gz QWUZXPPHYQYVPH-IBGZPJMESA-N 2 1 347.547 3.485 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001755846130 1440933343 /nfs/dbraw/zinc/93/33/43/1440933343.db2.gz NLVVTVBUWPJUKL-GOSISDBHSA-N 2 1 345.531 3.054 20 0 EGADMP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001755862674 1440937030 /nfs/dbraw/zinc/93/70/30/1440937030.db2.gz UBWLVOILBNSRPD-RFEKHPBVSA-N 2 1 335.536 3.185 20 0 EGADMP CCCCC[NH2+]C1CC(N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001755866017 1440937832 /nfs/dbraw/zinc/93/78/32/1440937832.db2.gz ZTQCQTHIBSKZNX-ACBHZAAOSA-N 2 1 331.504 3.059 20 0 EGADMP CCCCC[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001755899344 1440943415 /nfs/dbraw/zinc/94/34/15/1440943415.db2.gz MBLURTHPQKBASO-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824948316 947006254 /nfs/dbraw/zinc/00/62/54/947006254.db2.gz TXMFAMJPBFAHSJ-HZPDHXFCSA-N 2 1 342.491 3.029 20 0 EGADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368188971 168322481 /nfs/dbraw/zinc/32/24/81/168322481.db2.gz OCYPYPBNBZBCBW-HXUWFJFHSA-N 2 1 326.488 3.178 20 0 EGADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368188971 168322484 /nfs/dbraw/zinc/32/24/84/168322484.db2.gz OCYPYPBNBZBCBW-HXUWFJFHSA-N 2 1 326.488 3.178 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000368506622 168365452 /nfs/dbraw/zinc/36/54/52/168365452.db2.gz DTQKXDOPPLIMTM-QHAWAJNXSA-N 2 1 339.483 3.476 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000368506622 168365453 /nfs/dbraw/zinc/36/54/53/168365453.db2.gz DTQKXDOPPLIMTM-QHAWAJNXSA-N 2 1 339.483 3.476 20 0 EGADMP C[N@H+](Cc1ccc(Br)cc1F)CC1CC[NH+](C)CC1 ZINC000063121431 214744507 /nfs/dbraw/zinc/74/45/07/214744507.db2.gz BUNZAWFPJIDXAT-UHFFFAOYSA-N 2 1 329.257 3.362 20 0 EGADMP COc1cc2c(c(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)c1)O[C@@H](C)C2 ZINC000103341063 219292542 /nfs/dbraw/zinc/29/25/42/219292542.db2.gz LYALFAHACDRFON-ZDUSSCGKSA-N 2 1 332.488 3.417 20 0 EGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000353079544 283179571 /nfs/dbraw/zinc/17/95/71/283179571.db2.gz JVKZUALVDYNECL-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000353079544 283179572 /nfs/dbraw/zinc/17/95/72/283179572.db2.gz JVKZUALVDYNECL-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354421492 283209102 /nfs/dbraw/zinc/20/91/02/283209102.db2.gz FZKPVUUZAQOXBQ-ROUUACIJSA-N 2 1 325.541 3.220 20 0 EGADMP CC[NH+]1CCC([NH2+]Cc2ccc(OC)c(Br)c2)CC1 ZINC000037976755 213179599 /nfs/dbraw/zinc/17/95/99/213179599.db2.gz ZFJDKGQDDJAJJC-UHFFFAOYSA-N 2 1 327.266 3.032 20 0 EGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1csc(Cl)c1 ZINC000191267314 239002034 /nfs/dbraw/zinc/00/20/34/239002034.db2.gz GQBWUALWVVZIJU-ZDUSSCGKSA-N 2 1 329.941 3.326 20 0 EGADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000073478065 216389135 /nfs/dbraw/zinc/38/91/35/216389135.db2.gz VSVMHAJLXFMRLI-FQEVSTJZSA-N 2 1 328.431 3.113 20 0 EGADMP C[C@H]([NH3+])CCC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000193303384 240098377 /nfs/dbraw/zinc/09/83/77/240098377.db2.gz PUVPVBMIBKHRNU-INIZCTEOSA-N 2 1 331.504 3.195 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000236876742 242392796 /nfs/dbraw/zinc/39/27/96/242392796.db2.gz MKNGJKAPSFMMOJ-OXJNMPFZSA-N 2 1 339.483 3.091 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000246392412 243245603 /nfs/dbraw/zinc/24/56/03/243245603.db2.gz PLOWSPODZNVAHX-WSTZPKSXSA-N 2 1 343.515 3.190 20 0 EGADMP Cc1ccc([C@@H]([NH3+])C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000262640441 245086431 /nfs/dbraw/zinc/08/64/31/245086431.db2.gz IYACNFMAWZUBFP-HXUWFJFHSA-N 2 1 339.483 3.151 20 0 EGADMP Cc1ccc(C(=O)NC2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)s1 ZINC000378130456 169074627 /nfs/dbraw/zinc/07/46/27/169074627.db2.gz YCARDCJRAJXQRP-KRWDZBQOSA-N 2 1 349.544 3.125 20 0 EGADMP Cc1ccc(C(=O)NC2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000378130456 169074629 /nfs/dbraw/zinc/07/46/29/169074629.db2.gz YCARDCJRAJXQRP-KRWDZBQOSA-N 2 1 349.544 3.125 20 0 EGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(OC(F)F)c1 ZINC000093088767 218192714 /nfs/dbraw/zinc/19/27/14/218192714.db2.gz AGSYIDASDHTLCV-UHFFFAOYSA-N 2 1 328.403 3.070 20 0 EGADMP COCCOc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1OC ZINC000268736383 252186773 /nfs/dbraw/zinc/18/67/73/252186773.db2.gz BUKZRZVFEWSCRZ-INIZCTEOSA-N 2 1 338.492 3.101 20 0 EGADMP COCCOc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1OC ZINC000268736383 252186777 /nfs/dbraw/zinc/18/67/77/252186777.db2.gz BUKZRZVFEWSCRZ-INIZCTEOSA-N 2 1 338.492 3.101 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1Cn1cccn1 ZINC000268748789 252200805 /nfs/dbraw/zinc/20/08/05/252200805.db2.gz GRZCTUYFOLBTCF-QGZVFWFLSA-N 2 1 344.503 3.321 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1Cn1cccn1 ZINC000268748789 252200810 /nfs/dbraw/zinc/20/08/10/252200810.db2.gz GRZCTUYFOLBTCF-QGZVFWFLSA-N 2 1 344.503 3.321 20 0 EGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268754301 252206204 /nfs/dbraw/zinc/20/62/04/252206204.db2.gz IXAXHNMFDDBRHH-ZDUSSCGKSA-N 2 1 348.459 3.064 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268754301 252206209 /nfs/dbraw/zinc/20/62/09/252206209.db2.gz IXAXHNMFDDBRHH-ZDUSSCGKSA-N 2 1 348.459 3.064 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000268838728 252286894 /nfs/dbraw/zinc/28/68/94/252286894.db2.gz BVWFPIMIFINUIA-STZQEDGTSA-N 2 1 338.495 3.233 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000268838728 252286898 /nfs/dbraw/zinc/28/68/98/252286898.db2.gz BVWFPIMIFINUIA-STZQEDGTSA-N 2 1 338.495 3.233 20 0 EGADMP COc1ccc2c(c1)[C@@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CCC2 ZINC000268867724 252317243 /nfs/dbraw/zinc/31/72/43/252317243.db2.gz JIYWFIJQBASNQI-FQEVSTJZSA-N 2 1 344.499 3.307 20 0 EGADMP COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[NH+]2CCCCC2)cc1 ZINC000154201052 533184596 /nfs/dbraw/zinc/18/45/96/533184596.db2.gz HAQUEIXPUHVVKD-DSKINZAPSA-N 2 1 345.531 3.295 20 0 EGADMP C[NH+](C)CCC1CC[NH+](Cc2nnc(-c3ccccc3)s2)CC1 ZINC000155127049 224363659 /nfs/dbraw/zinc/36/36/59/224363659.db2.gz UGKOVUXIJJXNES-UHFFFAOYSA-N 2 1 330.501 3.369 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCO[C@@H](C4CC4)C3)CC2)cc1 ZINC000155151343 224367248 /nfs/dbraw/zinc/36/72/48/224367248.db2.gz QBWCHBICJNBJDP-LEWJYISDSA-N 2 1 346.490 3.380 20 0 EGADMP C[C@H](CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C1CC[NH2+]CC1 ZINC000237554317 141007782 /nfs/dbraw/zinc/00/77/82/141007782.db2.gz WHQJYYVGKBNEDY-GOSISDBHSA-N 2 1 349.563 3.127 20 0 EGADMP CCCCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000246932364 141044478 /nfs/dbraw/zinc/04/44/78/141044478.db2.gz HAGIPBDMJYILGV-APWZRJJASA-N 2 1 331.504 3.036 20 0 EGADMP CCCCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000246932364 141044479 /nfs/dbraw/zinc/04/44/79/141044479.db2.gz HAGIPBDMJYILGV-APWZRJJASA-N 2 1 331.504 3.036 20 0 EGADMP C[C@H](C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338045919 141080303 /nfs/dbraw/zinc/08/03/03/141080303.db2.gz SNDBCQAIDBKPIP-MDMSPXHWSA-N 2 1 337.552 3.120 20 0 EGADMP C[C@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338045919 141080304 /nfs/dbraw/zinc/08/03/04/141080304.db2.gz SNDBCQAIDBKPIP-MDMSPXHWSA-N 2 1 337.552 3.120 20 0 EGADMP C[C@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338045919 141080305 /nfs/dbraw/zinc/08/03/05/141080305.db2.gz SNDBCQAIDBKPIP-MDMSPXHWSA-N 2 1 337.552 3.120 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000338055622 141083566 /nfs/dbraw/zinc/08/35/66/141083566.db2.gz UPVDUBWNHKTKMM-SFHVURJKSA-N 2 1 345.531 3.380 20 0 EGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000338131472 141099306 /nfs/dbraw/zinc/09/93/06/141099306.db2.gz NOPHZCZSKBDPME-SFHVURJKSA-N 2 1 325.456 3.092 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000338131472 141099307 /nfs/dbraw/zinc/09/93/07/141099307.db2.gz NOPHZCZSKBDPME-SFHVURJKSA-N 2 1 325.456 3.092 20 0 EGADMP OC1(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000342812750 141150460 /nfs/dbraw/zinc/15/04/60/141150460.db2.gz MTHGDYKETPTXRH-HSALFYBXSA-N 2 1 328.500 3.182 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000354678655 141319809 /nfs/dbraw/zinc/31/98/09/141319809.db2.gz UUYYXAXKVKSTJC-FHWLQOOXSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000178702102 144075233 /nfs/dbraw/zinc/07/52/33/144075233.db2.gz PZPDZFVTRLNAND-JKSUJKDBSA-N 2 1 340.471 3.305 20 0 EGADMP CCCN(CC[NH+](C)C)C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000344821536 144228112 /nfs/dbraw/zinc/22/81/12/144228112.db2.gz FNZIYSQDJDCLAN-UHFFFAOYSA-N 2 1 333.520 3.331 20 0 EGADMP C[N@@H+](C[C@H](O)CN1CC=C(c2cccc3ccccc32)CC1)C1CC1 ZINC000351440952 144265123 /nfs/dbraw/zinc/26/51/23/144265123.db2.gz JCSMMQWMHTYMEO-FQEVSTJZSA-N 2 1 336.479 3.384 20 0 EGADMP CN(C[C@H](O)C[N@H+]1CC=C(c2cccc3ccccc32)CC1)C1CC1 ZINC000351440952 144265124 /nfs/dbraw/zinc/26/51/24/144265124.db2.gz JCSMMQWMHTYMEO-FQEVSTJZSA-N 2 1 336.479 3.384 20 0 EGADMP CN(C[C@H](O)C[N@@H+]1CC=C(c2cccc3ccccc32)CC1)C1CC1 ZINC000351440952 144265127 /nfs/dbraw/zinc/26/51/27/144265127.db2.gz JCSMMQWMHTYMEO-FQEVSTJZSA-N 2 1 336.479 3.384 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351480524 144267019 /nfs/dbraw/zinc/26/70/19/144267019.db2.gz VNYRNOARLZLTAT-UOVPBQLFSA-N 2 1 329.488 3.115 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351480524 144267020 /nfs/dbraw/zinc/26/70/20/144267020.db2.gz VNYRNOARLZLTAT-UOVPBQLFSA-N 2 1 329.488 3.115 20 0 EGADMP Clc1cccc(-c2n[nH]cc2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000364019848 144384601 /nfs/dbraw/zinc/38/46/01/144384601.db2.gz CSWZKGLJVHSDNU-SJORKVTESA-N 2 1 330.863 3.447 20 0 EGADMP Clc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000364019848 144384602 /nfs/dbraw/zinc/38/46/02/144384602.db2.gz CSWZKGLJVHSDNU-SJORKVTESA-N 2 1 330.863 3.447 20 0 EGADMP Clc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000364019848 144384603 /nfs/dbraw/zinc/38/46/03/144384603.db2.gz CSWZKGLJVHSDNU-SJORKVTESA-N 2 1 330.863 3.447 20 0 EGADMP Cc1cnc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n1C ZINC000341112653 155166339 /nfs/dbraw/zinc/16/63/39/155166339.db2.gz RJKWJCAMOQJCJA-INIZCTEOSA-N 2 1 326.488 3.393 20 0 EGADMP Cc1cnc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)n1C ZINC000341112653 155166340 /nfs/dbraw/zinc/16/63/40/155166340.db2.gz RJKWJCAMOQJCJA-INIZCTEOSA-N 2 1 326.488 3.393 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000122165964 152394527 /nfs/dbraw/zinc/39/45/27/152394527.db2.gz OEUJEMJPPXKDGS-UHFFFAOYSA-N 2 1 345.487 3.398 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000122221058 152397229 /nfs/dbraw/zinc/39/72/29/152397229.db2.gz ULNUAAQWQRXNAJ-UHFFFAOYSA-N 2 1 339.911 3.305 20 0 EGADMP O=C(Nc1ccccc1)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000193465950 153292973 /nfs/dbraw/zinc/29/29/73/153292973.db2.gz MQEBDIFSGQHFNR-UHFFFAOYSA-N 2 1 329.488 3.213 20 0 EGADMP C[C@H](NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Br)cs1 ZINC000300270211 154023175 /nfs/dbraw/zinc/02/31/75/154023175.db2.gz HTEURVPQKRKOST-WCFLWFBJSA-N 2 1 345.306 3.024 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(SC)cc1OC ZINC000322855784 154170584 /nfs/dbraw/zinc/17/05/84/154170584.db2.gz RUOAPRCFPMYZGR-CABCVRRESA-N 2 1 336.501 3.142 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(SC)cc1OC ZINC000322855784 154170586 /nfs/dbraw/zinc/17/05/86/154170586.db2.gz RUOAPRCFPMYZGR-CABCVRRESA-N 2 1 336.501 3.142 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000337426700 154346985 /nfs/dbraw/zinc/34/69/85/154346985.db2.gz BOGHFSSYYUSUPM-UHFFFAOYSA-N 2 1 338.499 3.499 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cnccc2OC)CC1)CC1CC1 ZINC000347018680 156250661 /nfs/dbraw/zinc/25/06/61/156250661.db2.gz VQRGGMNULJZCJM-UHFFFAOYSA-N 2 1 331.504 3.424 20 0 EGADMP CCN(Cc1ncc(C[NH+](C)C)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000348963873 156302186 /nfs/dbraw/zinc/30/21/86/156302186.db2.gz JSLWQRNGUADQTJ-UHFFFAOYSA-N 2 1 346.544 3.288 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)C[C@H]2C(C)C)cc1 ZINC000348964397 156302900 /nfs/dbraw/zinc/30/29/00/156302900.db2.gz QPZTWGSIMYCSRI-FQEVSTJZSA-N 2 1 345.531 3.331 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1 ZINC000348964397 156302901 /nfs/dbraw/zinc/30/29/01/156302901.db2.gz QPZTWGSIMYCSRI-FQEVSTJZSA-N 2 1 345.531 3.331 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1 ZINC000348964397 156302903 /nfs/dbraw/zinc/30/29/03/156302903.db2.gz QPZTWGSIMYCSRI-FQEVSTJZSA-N 2 1 345.531 3.331 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000349056785 156336653 /nfs/dbraw/zinc/33/66/53/156336653.db2.gz LVWXJRQXXYYXIH-WOJBJXKFSA-N 2 1 343.515 3.123 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000349079655 156345527 /nfs/dbraw/zinc/34/55/27/156345527.db2.gz JNIJFWNPFHJZTG-LJQANCHMSA-N 2 1 331.504 3.019 20 0 EGADMP COc1cc2c(c(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c1)O[C@@H](C)C2 ZINC000349131021 156363510 /nfs/dbraw/zinc/36/35/10/156363510.db2.gz PDJCVHDARDTVKV-RDJZCZTQSA-N 2 1 344.499 3.182 20 0 EGADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)n2)cc1 ZINC000362085818 157016346 /nfs/dbraw/zinc/01/63/46/157016346.db2.gz IYDIENXQRBDUOK-LJQANCHMSA-N 2 1 338.455 3.425 20 0 EGADMP CC(C)[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[NH+](C)C ZINC000130488188 162371188 /nfs/dbraw/zinc/37/11/88/162371188.db2.gz WALHRJXKPBDOBU-APWZRJJASA-N 2 1 331.504 3.443 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)[C@@H](C)C1 ZINC000248686299 163028816 /nfs/dbraw/zinc/02/88/16/163028816.db2.gz HFQOOHVQCHRMJQ-SUMWQHHRSA-N 2 1 347.894 3.049 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)[C@@H](C)C1 ZINC000248686299 163028820 /nfs/dbraw/zinc/02/88/20/163028820.db2.gz HFQOOHVQCHRMJQ-SUMWQHHRSA-N 2 1 347.894 3.049 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC[N@H+]1C ZINC000248926787 163047113 /nfs/dbraw/zinc/04/71/13/163047113.db2.gz GAQWAEWRBQVARI-XOKHGSTOSA-N 2 1 343.437 3.380 20 0 EGADMP Cn1cc(-c2ccc(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)s2)cn1 ZINC000338943993 163397867 /nfs/dbraw/zinc/39/78/67/163397867.db2.gz CKBDIPCTWXFKGH-MRXNPFEDSA-N 2 1 344.528 3.312 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)s2)cn1 ZINC000338943993 163397869 /nfs/dbraw/zinc/39/78/69/163397869.db2.gz CKBDIPCTWXFKGH-MRXNPFEDSA-N 2 1 344.528 3.312 20 0 EGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)s2)cn1 ZINC000338943993 163397871 /nfs/dbraw/zinc/39/78/71/163397871.db2.gz CKBDIPCTWXFKGH-MRXNPFEDSA-N 2 1 344.528 3.312 20 0 EGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)s2)cn1 ZINC000338943993 163397872 /nfs/dbraw/zinc/39/78/72/163397872.db2.gz CKBDIPCTWXFKGH-MRXNPFEDSA-N 2 1 344.528 3.312 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)CCC2 ZINC000339067397 163452256 /nfs/dbraw/zinc/45/22/56/163452256.db2.gz HGTIAAPSPQBSMX-OAQYLSRUSA-N 2 1 329.532 3.236 20 0 EGADMP CC[C@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)[NH+](CC)CC ZINC000342107828 163787724 /nfs/dbraw/zinc/78/77/24/163787724.db2.gz RRTPJCQMUYDHRY-LJQANCHMSA-N 2 1 331.504 3.382 20 0 EGADMP CC(C)C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccccn1 ZINC000343941435 164070554 /nfs/dbraw/zinc/07/05/54/164070554.db2.gz TZCHORDWPSTJAJ-LJQANCHMSA-N 2 1 342.487 3.294 20 0 EGADMP CSc1ccc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000343974112 164075508 /nfs/dbraw/zinc/07/55/08/164075508.db2.gz IVHQCMUVWMNNIZ-HNNXBMFYSA-N 2 1 349.544 3.002 20 0 EGADMP CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC000345936679 164299351 /nfs/dbraw/zinc/29/93/51/164299351.db2.gz ZBUWWENBPOPVAU-ZWKOTPCHSA-N 2 1 343.515 3.227 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000350200949 165018461 /nfs/dbraw/zinc/01/84/61/165018461.db2.gz DATDBPVABCUZCY-HNNXBMFYSA-N 2 1 333.501 3.229 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000350200949 165018463 /nfs/dbraw/zinc/01/84/63/165018463.db2.gz DATDBPVABCUZCY-HNNXBMFYSA-N 2 1 333.501 3.229 20 0 EGADMP CCc1ncc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000350220470 165019650 /nfs/dbraw/zinc/01/96/50/165019650.db2.gz FQVFUOQODNLLAU-UHFFFAOYSA-N 2 1 330.501 3.449 20 0 EGADMP CCOc1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000352075049 165221815 /nfs/dbraw/zinc/22/18/15/165221815.db2.gz AVELBAGPYOTVKH-HKUYNNGSSA-N 2 1 339.483 3.481 20 0 EGADMP CCOc1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000352075049 165221818 /nfs/dbraw/zinc/22/18/18/165221818.db2.gz AVELBAGPYOTVKH-HKUYNNGSSA-N 2 1 339.483 3.481 20 0 EGADMP c1[nH]nc2c1cccc2C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000355338767 166169378 /nfs/dbraw/zinc/16/93/78/166169378.db2.gz TYUIMOSNVJPEBL-BGYRXZFFSA-N 2 1 332.451 3.127 20 0 EGADMP c1[nH]nc2c1cccc2C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000355338767 166169381 /nfs/dbraw/zinc/16/93/81/166169381.db2.gz TYUIMOSNVJPEBL-BGYRXZFFSA-N 2 1 332.451 3.127 20 0 EGADMP c1[nH]nc2c1cccc2C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000355338767 166169383 /nfs/dbraw/zinc/16/93/83/166169383.db2.gz TYUIMOSNVJPEBL-BGYRXZFFSA-N 2 1 332.451 3.127 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000355411764 166189543 /nfs/dbraw/zinc/18/95/43/166189543.db2.gz QKBMRZFVGFFCKA-CALCHBBNSA-N 2 1 329.488 3.136 20 0 EGADMP Cc1[nH+]ccc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1Cl ZINC000355677767 166281966 /nfs/dbraw/zinc/28/19/66/166281966.db2.gz UVKNBTDRAAZWIP-QGZVFWFLSA-N 2 1 345.874 3.034 20 0 EGADMP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCC1CC[NH2+]CC1 ZINC000359224322 167100136 /nfs/dbraw/zinc/10/01/36/167100136.db2.gz SCWIUTLNDWRDAI-UHFFFAOYSA-N 2 1 326.488 3.331 20 0 EGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)[NH+](C)C ZINC000359474230 167166765 /nfs/dbraw/zinc/16/67/65/167166765.db2.gz RQERUNPQNFQPIQ-AOIWGVFYSA-N 2 1 348.535 3.014 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000359795204 167234616 /nfs/dbraw/zinc/23/46/16/167234616.db2.gz MFFHAHINVLGFQI-OAHLLOKOSA-N 2 1 345.487 3.345 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+](CC)CC ZINC000359890705 167259532 /nfs/dbraw/zinc/25/95/32/167259532.db2.gz VUQAOOFWSFIOJB-DFQSSKMNSA-N 2 1 345.531 3.134 20 0 EGADMP O=C1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CN1c1ccccc1 ZINC000360376180 167314609 /nfs/dbraw/zinc/31/46/09/167314609.db2.gz IFZYYOLKTVIJLU-GOSISDBHSA-N 2 1 341.499 3.179 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(F)c1 ZINC000366873421 168151408 /nfs/dbraw/zinc/15/14/08/168151408.db2.gz ZDBLLDKXNNGIIF-MRXNPFEDSA-N 2 1 347.478 3.269 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(F)c1 ZINC000366873421 168151411 /nfs/dbraw/zinc/15/14/11/168151411.db2.gz ZDBLLDKXNNGIIF-MRXNPFEDSA-N 2 1 347.478 3.269 20 0 EGADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000366960012 168162359 /nfs/dbraw/zinc/16/23/59/168162359.db2.gz GLDXLTLNGRNICG-OAQYLSRUSA-N 2 1 349.478 3.199 20 0 EGADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000366960012 168162361 /nfs/dbraw/zinc/16/23/61/168162361.db2.gz GLDXLTLNGRNICG-OAQYLSRUSA-N 2 1 349.478 3.199 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2csc3ccccc23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367029284 168169693 /nfs/dbraw/zinc/16/96/93/168169693.db2.gz LMVFKBVVQPEUNG-APWZRJJASA-N 2 1 343.540 3.359 20 0 EGADMP OC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000367552067 168241106 /nfs/dbraw/zinc/24/11/06/168241106.db2.gz MMVSJZZGSCBFME-ZSYZGHEHSA-N 2 1 342.527 3.285 20 0 EGADMP Cc1cc(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000367600796 168248183 /nfs/dbraw/zinc/24/81/83/168248183.db2.gz ZWOCOZIZQFEECO-YSIASYRMSA-N 2 1 325.456 3.026 20 0 EGADMP CC(C)c1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)nc(C(C)C)n1 ZINC000367733289 168264181 /nfs/dbraw/zinc/26/41/81/168264181.db2.gz GZJMXHRBROWNBU-HOTGVXAUSA-N 2 1 332.492 3.023 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000357785478 287276568 /nfs/dbraw/zinc/27/65/68/287276568.db2.gz CQTPZOCTCNVBSI-UTKZUKDTSA-N 2 1 343.515 3.209 20 0 EGADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000122961947 222191060 /nfs/dbraw/zinc/19/10/60/222191060.db2.gz CWODCKCUSXYGDN-HNNXBMFYSA-N 2 1 329.492 3.261 20 0 EGADMP c1cc(CCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc2c1OCC2 ZINC000193254480 266019777 /nfs/dbraw/zinc/01/97/77/266019777.db2.gz IFBJLIZHUHNIGO-IBGZPJMESA-N 2 1 328.500 3.362 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3(C[NH3+])CCCC3)cc2)C1 ZINC000237673478 266241327 /nfs/dbraw/zinc/24/13/27/266241327.db2.gz NQDNLUATIYCCEI-KRWDZBQOSA-N 2 1 343.515 3.054 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3OC)[C@@H](C)C1 ZINC000268880258 266285203 /nfs/dbraw/zinc/28/52/03/266285203.db2.gz HYOODXOECHCIQK-FFZOFVMBSA-N 2 1 346.515 3.409 20 0 EGADMP Cn1c2ccccc2nc1CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000269636979 266331470 /nfs/dbraw/zinc/33/14/70/266331470.db2.gz IZBGGMXXTJYEHY-LPHOPBHVSA-N 2 1 338.499 3.065 20 0 EGADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269636979 266331477 /nfs/dbraw/zinc/33/14/77/266331477.db2.gz IZBGGMXXTJYEHY-LPHOPBHVSA-N 2 1 338.499 3.065 20 0 EGADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269636979 266331480 /nfs/dbraw/zinc/33/14/80/266331480.db2.gz IZBGGMXXTJYEHY-LPHOPBHVSA-N 2 1 338.499 3.065 20 0 EGADMP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)c(SC)cc1OC ZINC000269675763 266340356 /nfs/dbraw/zinc/34/03/56/266340356.db2.gz BWPFOBKOIOOSJG-UHFFFAOYSA-N 2 1 349.500 3.453 20 0 EGADMP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)c(SC)cc1OC ZINC000269675763 266340360 /nfs/dbraw/zinc/34/03/60/266340360.db2.gz BWPFOBKOIOOSJG-UHFFFAOYSA-N 2 1 349.500 3.453 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274726675 267277889 /nfs/dbraw/zinc/27/78/89/267277889.db2.gz ARZQADIGNORHDD-VRXWPRPYSA-N 2 1 328.500 3.444 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274759387 267281820 /nfs/dbraw/zinc/28/18/20/267281820.db2.gz JOVKTCKBUBWXBR-DFQSSKMNSA-N 2 1 344.499 3.172 20 0 EGADMP COc1ncccc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274935648 267309241 /nfs/dbraw/zinc/30/92/41/267309241.db2.gz RYUVXGOONMXGTP-VQIMIIECSA-N 2 1 325.456 3.090 20 0 EGADMP COc1ncccc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274935648 267309244 /nfs/dbraw/zinc/30/92/44/267309244.db2.gz RYUVXGOONMXGTP-VQIMIIECSA-N 2 1 325.456 3.090 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000275354383 267350146 /nfs/dbraw/zinc/35/01/46/267350146.db2.gz RJEHLZBQZAXKHI-JTQLQIEISA-N 2 1 341.228 3.229 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278508213 268028340 /nfs/dbraw/zinc/02/83/40/268028340.db2.gz REJKRUFLZMEVEV-BSIFCXSSSA-N 2 1 342.458 3.359 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCCC[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC000183126424 275210515 /nfs/dbraw/zinc/21/05/15/275210515.db2.gz DDTGGCNYURTGLR-BDTNDASRSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC000183126424 275210516 /nfs/dbraw/zinc/21/05/16/275210516.db2.gz DDTGGCNYURTGLR-BDTNDASRSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC000183126424 275210517 /nfs/dbraw/zinc/21/05/17/275210517.db2.gz DDTGGCNYURTGLR-BDTNDASRSA-N 3 1 341.543 3.363 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1N(C)C ZINC000278721676 275268728 /nfs/dbraw/zinc/26/87/28/275268728.db2.gz VXJDUVHOXHYPHR-HOTGVXAUSA-N 2 1 337.483 3.043 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1N(C)C ZINC000278721676 275268729 /nfs/dbraw/zinc/26/87/29/275268729.db2.gz VXJDUVHOXHYPHR-HOTGVXAUSA-N 2 1 337.483 3.043 20 0 EGADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000280044134 275396170 /nfs/dbraw/zinc/39/61/70/275396170.db2.gz VPYFHKDZJBKJNC-XKGZKEIXSA-N 2 1 344.499 3.218 20 0 EGADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000286871785 276052391 /nfs/dbraw/zinc/05/23/91/276052391.db2.gz HMUWPWVRGAFPDS-IRXDYDNUSA-N 2 1 342.405 3.351 20 0 EGADMP CCN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000261731069 276061625 /nfs/dbraw/zinc/06/16/25/276061625.db2.gz KWHMWFUMVMEUOK-GSEOLPGOSA-N 2 1 343.515 3.188 20 0 EGADMP CC[N@H+](CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C(C)C ZINC000156641571 276130746 /nfs/dbraw/zinc/13/07/46/276130746.db2.gz YTMTUIPUZRBMJN-UHFFFAOYSA-N 2 1 329.488 3.139 20 0 EGADMP CC[N@@H+](CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C(C)C ZINC000156641571 276130747 /nfs/dbraw/zinc/13/07/47/276130747.db2.gz YTMTUIPUZRBMJN-UHFFFAOYSA-N 2 1 329.488 3.139 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000343544713 276198694 /nfs/dbraw/zinc/19/86/94/276198694.db2.gz YMHWXSQGKLFDMF-MJGOQNOKSA-N 2 1 333.907 3.039 20 0 EGADMP CCN1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000343482407 276253163 /nfs/dbraw/zinc/25/31/63/276253163.db2.gz UUZKGNMXDTYGBC-UEXGIBASSA-N 2 1 329.532 3.491 20 0 EGADMP CC[N@H+]1C[C@H](NCc2ccccc2C[NH+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000343482407 276253164 /nfs/dbraw/zinc/25/31/64/276253164.db2.gz UUZKGNMXDTYGBC-UEXGIBASSA-N 2 1 329.532 3.491 20 0 EGADMP CC[N@@H+]1C[C@H](NCc2ccccc2C[NH+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000343482407 276253166 /nfs/dbraw/zinc/25/31/66/276253166.db2.gz UUZKGNMXDTYGBC-UEXGIBASSA-N 2 1 329.532 3.491 20 0 EGADMP CC[NH+]1C[C@H](NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000343482407 276253167 /nfs/dbraw/zinc/25/31/67/276253167.db2.gz UUZKGNMXDTYGBC-UEXGIBASSA-N 2 1 329.532 3.491 20 0 EGADMP CC[NH+]1C[C@H](NCc2ccccc2C[N@H+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000343482407 276253168 /nfs/dbraw/zinc/25/31/68/276253168.db2.gz UUZKGNMXDTYGBC-UEXGIBASSA-N 2 1 329.532 3.491 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(OC)cc32)[C@@H](C)C1 ZINC000247929155 276316178 /nfs/dbraw/zinc/31/61/78/276316178.db2.gz BWMOKAVUDOWORQ-ORYQWCPZSA-N 2 1 346.515 3.409 20 0 EGADMP CCO[C@@H]1COCC[C@@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000353670938 276340128 /nfs/dbraw/zinc/34/01/28/276340128.db2.gz BRRNKEYHMFJILO-NSKBAKJYSA-N 2 1 346.515 3.213 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000247171578 277051543 /nfs/dbraw/zinc/05/15/43/277051543.db2.gz YOIPARPFXBPMRF-IBGZPJMESA-N 2 1 343.515 3.050 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)C[C@H]1c1ccccc1 ZINC000340306545 277172996 /nfs/dbraw/zinc/17/29/96/277172996.db2.gz HQDFXUBUPKSEIJ-YRPNKDGESA-N 2 1 346.540 3.466 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)C[C@H]1c1ccccc1 ZINC000340306545 277172997 /nfs/dbraw/zinc/17/29/97/277172997.db2.gz HQDFXUBUPKSEIJ-YRPNKDGESA-N 2 1 346.540 3.466 20 0 EGADMP Cc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000181412308 279079282 /nfs/dbraw/zinc/07/92/82/279079282.db2.gz STBAXMFSEQFPKI-XYPHTWIQSA-N 2 1 337.533 3.178 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCOc3ccccc32)C[C@H](C)O1 ZINC000246926573 288161516 /nfs/dbraw/zinc/16/15/16/288161516.db2.gz GTNHGVUJQHAUSV-SCTDSRPQSA-N 2 1 332.488 3.379 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000236684703 282072291 /nfs/dbraw/zinc/07/22/91/282072291.db2.gz IXZWRXCONJNHLX-KRWDZBQOSA-N 2 1 345.531 3.442 20 0 EGADMP CN(CCC[N@@H+](C)Cc1cscc1C(F)(F)F)CC[NH+](C)C ZINC000356313748 289133052 /nfs/dbraw/zinc/13/30/52/289133052.db2.gz DRSLORSHVFMFPC-UHFFFAOYSA-N 2 1 337.455 3.082 20 0 EGADMP Clc1cccc(Cl)c1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261910002 302887665 /nfs/dbraw/zinc/88/76/65/302887665.db2.gz IVBBIKMTOBKBDK-IAOVAPTHSA-N 2 1 343.298 3.283 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC(CC)CC)CC1 ZINC000066960698 307363980 /nfs/dbraw/zinc/36/39/80/307363980.db2.gz SBJZWJHSDPJYDV-INIZCTEOSA-N 2 1 325.541 3.124 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414183861 309065449 /nfs/dbraw/zinc/06/54/49/309065449.db2.gz NZASDMNXIWWJKC-QZTJIDSGSA-N 3 1 333.520 3.010 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ncc(Br)cc1F ZINC000414198759 309066488 /nfs/dbraw/zinc/06/64/88/309066488.db2.gz WJUAUMZMCBBWCI-VXGBXAGGSA-N 2 1 344.272 3.366 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000414295154 309071179 /nfs/dbraw/zinc/07/11/79/309071179.db2.gz QTSJLFQESDPSQG-HNNXBMFYSA-N 2 1 330.451 3.141 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)CCc3ccccc3)C2)CC1 ZINC000248617169 308007459 /nfs/dbraw/zinc/00/74/59/308007459.db2.gz ZHHQAYOZWUKUJY-VXKWHMMOSA-N 2 1 344.543 3.424 20 0 EGADMP OCC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000248621774 308007568 /nfs/dbraw/zinc/00/75/68/308007568.db2.gz ASBCBBHCTYRZLF-XUVXKRRUSA-N 2 1 328.500 3.039 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000249133016 308019833 /nfs/dbraw/zinc/01/98/33/308019833.db2.gz YHWQPDFAHXCGQZ-COXVUDFISA-N 2 1 326.843 3.383 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1CN1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000414447159 309080640 /nfs/dbraw/zinc/08/06/40/309080640.db2.gz WKSMLUUOYDOPHA-JXFKEZNVSA-N 2 1 342.462 3.236 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000414450672 309080812 /nfs/dbraw/zinc/08/08/12/309080812.db2.gz HCDHCWBHNWSTFN-HXUWFJFHSA-N 2 1 342.462 3.238 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cnn(CC(F)F)c1 ZINC000292993286 308087875 /nfs/dbraw/zinc/08/78/75/308087875.db2.gz NBBBCGHUPXWRGT-MAUKXSAKSA-N 2 1 348.441 3.148 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292993286 308087876 /nfs/dbraw/zinc/08/78/76/308087876.db2.gz NBBBCGHUPXWRGT-MAUKXSAKSA-N 2 1 348.441 3.148 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292993286 308087877 /nfs/dbraw/zinc/08/78/77/308087877.db2.gz NBBBCGHUPXWRGT-MAUKXSAKSA-N 2 1 348.441 3.148 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292993286 308087879 /nfs/dbraw/zinc/08/78/79/308087879.db2.gz NBBBCGHUPXWRGT-MAUKXSAKSA-N 2 1 348.441 3.148 20 0 EGADMP C[N@H+]1CCC[C@@]2(CCN(CC(=O)Nc3ccc4ccccc4c3)C2)C1 ZINC000293056675 308094923 /nfs/dbraw/zinc/09/49/23/308094923.db2.gz UMWLAXOQMFQTSU-OAQYLSRUSA-N 2 1 337.467 3.196 20 0 EGADMP Nc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ccn1 ZINC000293336472 308121378 /nfs/dbraw/zinc/12/13/78/308121378.db2.gz MWZFLEORFHCJEW-UHFFFAOYSA-N 2 1 336.483 3.152 20 0 EGADMP Cc1ncsc1CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000294692780 308246627 /nfs/dbraw/zinc/24/66/27/308246627.db2.gz ATNDFHMJIAJYPZ-GUDVDZBRSA-N 2 1 341.524 3.494 20 0 EGADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1Cl ZINC000294860226 308265048 /nfs/dbraw/zinc/26/50/48/308265048.db2.gz DDHGFAJQZGNIIQ-ZDUSSCGKSA-N 2 1 333.819 3.229 20 0 EGADMP C[C@H](CCO)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000295148326 308296913 /nfs/dbraw/zinc/29/69/13/308296913.db2.gz QWHCHDHJXNIGNN-FYZZASKESA-N 2 1 330.516 3.285 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)cc1 ZINC000295243441 308306785 /nfs/dbraw/zinc/30/67/85/308306785.db2.gz DETJOLONLSKEDK-KRWDZBQOSA-N 2 1 343.515 3.085 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CC[NH2+]1 ZINC000414703926 309096217 /nfs/dbraw/zinc/09/62/17/309096217.db2.gz YRVFPWXNPSVIRA-XNJGSVPQSA-N 2 1 326.843 3.241 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CC[NH2+]1 ZINC000414703926 309096218 /nfs/dbraw/zinc/09/62/18/309096218.db2.gz YRVFPWXNPSVIRA-XNJGSVPQSA-N 2 1 326.843 3.241 20 0 EGADMP COCC[N@H+](Cc1ccc(F)cc1Cl)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414701224 309096294 /nfs/dbraw/zinc/09/62/94/309096294.db2.gz UKTOLGMJPGFJMO-UONOGXRCSA-N 2 1 328.859 3.316 20 0 EGADMP C[C@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000414709335 309096633 /nfs/dbraw/zinc/09/66/33/309096633.db2.gz JTWQCGRLHBFPSQ-INIZCTEOSA-N 2 1 344.503 3.277 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OCc1ccccc1 ZINC000414664872 309094269 /nfs/dbraw/zinc/09/42/69/309094269.db2.gz ULEBZAWSNZULCU-LPHOPBHVSA-N 2 1 340.467 3.443 20 0 EGADMP C[C@H]1C[C@@H](C[N@@H+](C)CCOc2ccc(Br)cc2)CC[NH2+]1 ZINC000414676336 309095052 /nfs/dbraw/zinc/09/50/52/309095052.db2.gz HHTNQWYVLNDGFN-KBPBESRZSA-N 2 1 341.293 3.148 20 0 EGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414675271 309095090 /nfs/dbraw/zinc/09/50/90/309095090.db2.gz LUPIUXZDRIVIRO-GJZGRUSLSA-N 2 1 349.906 3.063 20 0 EGADMP CCCC1CCC([N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C(C)C)CC1 ZINC000414692414 309095677 /nfs/dbraw/zinc/09/56/77/309095677.db2.gz QATLLSYABZKMPI-XBMUEBEBSA-N 2 1 337.552 3.253 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)CC[NH2+]1 ZINC000414717935 309097249 /nfs/dbraw/zinc/09/72/49/309097249.db2.gz ZXBHTXHVLBNLIX-HZPDHXFCSA-N 2 1 344.478 3.468 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)CC[NH2+]1 ZINC000414751035 309098863 /nfs/dbraw/zinc/09/88/63/309098863.db2.gz ZJCKGQSZVAKPMQ-FGTMMUONSA-N 2 1 338.499 3.133 20 0 EGADMP C[C@H]1C[C@@H](C[N@H+]2CCOc3ccc(Br)cc3C2)CC[NH2+]1 ZINC000414755222 309098937 /nfs/dbraw/zinc/09/89/37/309098937.db2.gz HCCYOALDOWEXFU-STQMWFEESA-N 2 1 339.277 3.032 20 0 EGADMP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414778822 309100409 /nfs/dbraw/zinc/10/04/09/309100409.db2.gz JIXRAVAMMAIZHT-UONOGXRCSA-N 2 1 346.425 3.176 20 0 EGADMP FC(F)(F)COc1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414783147 309100812 /nfs/dbraw/zinc/10/08/12/309100812.db2.gz PKYGXQLSGJRLTR-HOTGVXAUSA-N 2 1 342.405 3.449 20 0 EGADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414789905 309101517 /nfs/dbraw/zinc/10/15/17/309101517.db2.gz GAHNUVGWCHABFZ-NSHDSACASA-N 2 1 337.208 3.123 20 0 EGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(Br)c(Br)c1)C1CC1 ZINC000414796328 309102004 /nfs/dbraw/zinc/10/20/04/309102004.db2.gz HNBIHVOWJVAJPX-GFCCVEGCSA-N 2 1 348.082 3.039 20 0 EGADMP CC(C)([NH3+])C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000414798761 309102128 /nfs/dbraw/zinc/10/21/28/309102128.db2.gz FRQJGKSZWAABGS-UHFFFAOYSA-N 2 1 325.172 3.295 20 0 EGADMP CCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1OC(F)F ZINC000414809161 309102823 /nfs/dbraw/zinc/10/28/23/309102823.db2.gz GGSFOPHJGVKDFH-PBWFPOADSA-N 2 1 326.387 3.059 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000414830783 309104245 /nfs/dbraw/zinc/10/42/45/309104245.db2.gz BNYJYHHTORRWBM-ZFWWWQNUSA-N 2 1 325.884 3.329 20 0 EGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(Oc2cnccn2)cc1)C1CCCCC1 ZINC000414833541 309104425 /nfs/dbraw/zinc/10/44/25/309104425.db2.gz FXSTXRCIRHTDCV-GOSISDBHSA-N 2 1 326.444 3.266 20 0 EGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414834656 309104629 /nfs/dbraw/zinc/10/46/29/309104629.db2.gz GUGHPVZVDZBWMN-GOEBONIOSA-N 2 1 339.911 3.040 20 0 EGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414840428 309104920 /nfs/dbraw/zinc/10/49/20/309104920.db2.gz MHECTLZNWUMXKD-DGCLKSJQSA-N 2 1 331.273 3.482 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](C)Cc3cccc(O)c3)sc2C1 ZINC000449672940 310079607 /nfs/dbraw/zinc/07/96/07/310079607.db2.gz YIJLJOURTVPTPD-CQSZACIVSA-N 2 1 345.512 3.336 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](C)Cc3cccc(O)c3)sc2C1 ZINC000449672940 310079608 /nfs/dbraw/zinc/07/96/08/310079608.db2.gz YIJLJOURTVPTPD-CQSZACIVSA-N 2 1 345.512 3.336 20 0 EGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C[C@@H](C)CC2CCOCC2)cc1 ZINC000414889894 309107568 /nfs/dbraw/zinc/10/75/68/309107568.db2.gz SXTPOKYUEAQOIW-ORYQWCPZSA-N 2 1 346.515 3.183 20 0 EGADMP CC[NH2+][C@H](C)CNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000414905229 309108522 /nfs/dbraw/zinc/10/85/22/309108522.db2.gz OEYSKYHBUGSTQA-OAHLLOKOSA-N 2 1 343.475 3.174 20 0 EGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c1C ZINC000414928509 309109685 /nfs/dbraw/zinc/10/96/85/309109685.db2.gz NIYIJPHIQDDAAH-QAPCUYQASA-N 2 1 331.504 3.388 20 0 EGADMP CC[C@@H]([NH3+])C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000414977337 309112480 /nfs/dbraw/zinc/11/24/80/309112480.db2.gz JQRLKKNPXHHJSN-QGZVFWFLSA-N 2 1 340.496 3.487 20 0 EGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415002359 309113569 /nfs/dbraw/zinc/11/35/69/309113569.db2.gz MDCLKCICOOVTSZ-XIGKFDRGSA-N 3 1 347.522 3.419 20 0 EGADMP Cc1ccc(COc2ccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)cc2)cc1 ZINC000415029376 309115342 /nfs/dbraw/zinc/11/53/42/309115342.db2.gz AWCWKLKUEYJAID-OAQYLSRUSA-N 2 1 340.467 3.042 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@@H](CC[NH3+])C(F)(F)F ZINC000415061005 309117576 /nfs/dbraw/zinc/11/75/76/309117576.db2.gz VJIQFAYXQHEKEJ-HNNXBMFYSA-N 2 1 331.426 3.014 20 0 EGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1Cl ZINC000415073072 309118225 /nfs/dbraw/zinc/11/82/25/309118225.db2.gz YZOYDMPFMKTIBX-CXAGYDPISA-N 2 1 337.895 3.473 20 0 EGADMP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415104467 309120517 /nfs/dbraw/zinc/12/05/17/309120517.db2.gz GZDMCTDVEYEWMQ-IBGZPJMESA-N 2 1 340.467 3.220 20 0 EGADMP COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415104467 309120518 /nfs/dbraw/zinc/12/05/18/309120518.db2.gz GZDMCTDVEYEWMQ-IBGZPJMESA-N 2 1 340.467 3.220 20 0 EGADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)nn1 ZINC000415134325 309122991 /nfs/dbraw/zinc/12/29/91/309122991.db2.gz VZQOWSLGHSPQFA-NRFANRHFSA-N 2 1 347.466 3.241 20 0 EGADMP c1ccc([C@@H]2C[C@H]2C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000417831206 309224292 /nfs/dbraw/zinc/22/42/92/309224292.db2.gz CKEANDXZSKPRQO-VXKWHMMOSA-N 2 1 336.479 3.412 20 0 EGADMP CN(C)c1ncc(C[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)n1C ZINC000419714024 309271226 /nfs/dbraw/zinc/27/12/26/309271226.db2.gz XHBGXOSOLCBIND-UHFFFAOYSA-N 2 1 348.319 3.073 20 0 EGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420298919 309280254 /nfs/dbraw/zinc/28/02/54/309280254.db2.gz AGCBTSYDCXBHCT-QGTPRVQTSA-N 2 1 342.874 3.275 20 0 EGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420301301 309280367 /nfs/dbraw/zinc/28/03/67/309280367.db2.gz AMULHAXNYDPIEO-PCCBWWKXSA-N 3 1 329.532 3.048 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000420309519 309281089 /nfs/dbraw/zinc/28/10/89/309281089.db2.gz UDVMIMVFZJDGHX-HBMCJLEFSA-N 2 1 342.458 3.284 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000420309519 309281090 /nfs/dbraw/zinc/28/10/90/309281090.db2.gz UDVMIMVFZJDGHX-HBMCJLEFSA-N 2 1 342.458 3.284 20 0 EGADMP Fc1ccc(-c2c[nH]c([C@@H]3CCC[N@H+]3CC[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000420314532 309281444 /nfs/dbraw/zinc/28/14/44/309281444.db2.gz KFWTUCBIANFMRU-KSSFIOAISA-N 2 1 328.435 3.352 20 0 EGADMP CCOc1cc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000420319431 309281713 /nfs/dbraw/zinc/28/17/13/309281713.db2.gz PNKZJZMJYFVLAA-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000420319945 309281815 /nfs/dbraw/zinc/28/18/15/309281815.db2.gz PQMIQLHXZSIOJT-MZPVMMEZSA-N 2 1 343.298 3.273 20 0 EGADMP Cc1cc(-c2noc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)n2)ccc1F ZINC000420322951 309282050 /nfs/dbraw/zinc/28/20/50/309282050.db2.gz XFFNETXZVZTTKO-INIZCTEOSA-N 2 1 344.434 3.006 20 0 EGADMP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1F ZINC000420328750 309282667 /nfs/dbraw/zinc/28/26/67/309282667.db2.gz FONJFWHJOSOORA-CWRNSKLLSA-N 2 1 344.434 3.177 20 0 EGADMP c1sc(Nc2ccccc2)nc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420341707 309283291 /nfs/dbraw/zinc/28/32/91/309283291.db2.gz VLFHHYKRAUJVTC-GOSISDBHSA-N 2 1 342.512 3.273 20 0 EGADMP CC(C)Cc1ccc([C@H](C)NC(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420353292 309283745 /nfs/dbraw/zinc/28/37/45/309283745.db2.gz BRIXTLULCZNEJV-LPHOPBHVSA-N 2 1 345.531 3.040 20 0 EGADMP Cc1ccc(-c2noc(CCC[NH2+][C@@H]3[C@@H](C)CC[NH2+][C@H]3C)n2)cc1F ZINC000420379184 309285381 /nfs/dbraw/zinc/28/53/81/309285381.db2.gz XMPMNXOFPLWEMZ-SUNYJGFJSA-N 2 1 346.450 3.093 20 0 EGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000420382211 309285563 /nfs/dbraw/zinc/28/55/63/309285563.db2.gz ZNFSMUZNEWEXHP-BFQNTYOBSA-N 2 1 343.393 3.010 20 0 EGADMP CC(C)(C)c1csc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC000420390203 309285914 /nfs/dbraw/zinc/28/59/14/309285914.db2.gz YZIFJICMPNAQBY-RHSMWYFYSA-N 2 1 337.533 3.159 20 0 EGADMP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420393834 309286166 /nfs/dbraw/zinc/28/61/66/309286166.db2.gz KBNWBJPLRNDUKH-VQTJNVASSA-N 2 1 343.515 3.036 20 0 EGADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420393834 309286167 /nfs/dbraw/zinc/28/61/67/309286167.db2.gz KBNWBJPLRNDUKH-VQTJNVASSA-N 2 1 343.515 3.036 20 0 EGADMP COCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC[C@H](C)C1 ZINC000420916127 309300999 /nfs/dbraw/zinc/30/09/99/309300999.db2.gz GOFVDLCXWOMUQY-GHTZIAJQSA-N 2 1 346.515 3.156 20 0 EGADMP COCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC[C@H](C)C1 ZINC000420916127 309301000 /nfs/dbraw/zinc/30/10/00/309301000.db2.gz GOFVDLCXWOMUQY-GHTZIAJQSA-N 2 1 346.515 3.156 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C[C@@H]1C[NH3+] ZINC000422638005 309363253 /nfs/dbraw/zinc/36/32/53/309363253.db2.gz PUDSHODAYNDAEY-IPYPFGDCSA-N 2 1 348.878 3.238 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C[C@H]1C[NH3+] ZINC000422635970 309363265 /nfs/dbraw/zinc/36/32/65/309363265.db2.gz MGOBCLROCVPKTH-UMVBOHGHSA-N 2 1 348.878 3.238 20 0 EGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCCC3=O)cc2)c2ccccc21 ZINC000422710451 309364202 /nfs/dbraw/zinc/36/42/02/309364202.db2.gz FUBNHRJZDRKJLJ-PMACEKPBSA-N 2 1 335.451 3.043 20 0 EGADMP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)N1CCc2sccc2C1 ZINC000422716118 309364576 /nfs/dbraw/zinc/36/45/76/309364576.db2.gz MXLSACIIIDLFDH-XWIAVFTESA-N 2 1 327.497 3.229 20 0 EGADMP C[C@H]([NH2+]CCCc1ccc(Br)cc1F)[C@@H]1CCC[NH2+]1 ZINC000422750848 309366440 /nfs/dbraw/zinc/36/64/40/309366440.db2.gz ALUNBEMJASORGJ-NHYWBVRUSA-N 2 1 329.257 3.251 20 0 EGADMP C[NH+](C)CC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000422768400 309367256 /nfs/dbraw/zinc/36/72/56/309367256.db2.gz UMTAEBVPELGPST-SLYNCCJLSA-N 2 1 345.531 3.198 20 0 EGADMP C[NH+](C)CC[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000422768395 309367274 /nfs/dbraw/zinc/36/72/74/309367274.db2.gz UMTAEBVPELGPST-HFSMHLIXSA-N 2 1 345.531 3.198 20 0 EGADMP C[NH+](C)CC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000422768397 309367306 /nfs/dbraw/zinc/36/73/06/309367306.db2.gz UMTAEBVPELGPST-LMNJBCLMSA-N 2 1 345.531 3.198 20 0 EGADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCCCC[C@H]3N)CC2)cc1 ZINC000422781672 309368081 /nfs/dbraw/zinc/36/80/81/309368081.db2.gz MEIQCSCDTDPAHI-RTWAWAEBSA-N 2 1 345.531 3.157 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCC[N@@H+](C)Cc1ccccc1 ZINC000422783389 309368113 /nfs/dbraw/zinc/36/81/13/309368113.db2.gz KXXBEJOQYGCGPX-RXVVDRJESA-N 2 1 325.500 3.057 20 0 EGADMP CCc1cnc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000422795424 309368728 /nfs/dbraw/zinc/36/87/28/309368728.db2.gz VMSMFOPGMFWOSB-MAUKXSAKSA-N 2 1 329.469 3.051 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccnc(N4CCCC4)c3)CC[NH2+]2)cc1 ZINC000422816239 309369847 /nfs/dbraw/zinc/36/98/47/309369847.db2.gz DTFUUDRFQQSMGJ-PMACEKPBSA-N 2 1 336.483 3.265 20 0 EGADMP N[C@@H]1CCC[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422913299 309375831 /nfs/dbraw/zinc/37/58/31/309375831.db2.gz YDUCFVBRERHJIO-NHCUHLMSSA-N 2 1 329.532 3.191 20 0 EGADMP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422945108 309377360 /nfs/dbraw/zinc/37/73/60/309377360.db2.gz UATYEADPZSEKNW-PGUXBMHVSA-N 2 1 329.257 3.249 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000423005139 309380483 /nfs/dbraw/zinc/38/04/83/309380483.db2.gz QVUSBUYDQUDINW-BJAXAZRTSA-N 3 1 327.516 3.160 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423008187 309380584 /nfs/dbraw/zinc/38/05/84/309380584.db2.gz SNXHCZINCIYIPO-YOFSQIOKSA-N 3 1 339.483 3.284 20 0 EGADMP COCCCOc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423005753 309380618 /nfs/dbraw/zinc/38/06/18/309380618.db2.gz SQUBJKPRSATHNO-UXHICEINSA-N 2 1 326.440 3.336 20 0 EGADMP CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423037142 309382371 /nfs/dbraw/zinc/38/23/71/309382371.db2.gz BEFQYTBDCUBGTB-JLZZUVOBSA-N 2 1 325.859 3.178 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000423056571 309383554 /nfs/dbraw/zinc/38/35/54/309383554.db2.gz YMROWHIUHZLMMA-XOKHGSTOSA-N 2 1 343.437 3.286 20 0 EGADMP C[C@H]([NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@H]1CCCC[NH2+]1 ZINC000423078708 309384866 /nfs/dbraw/zinc/38/48/66/309384866.db2.gz WNQMKBIEGTUSJL-JOCLIGHLSA-N 2 1 334.479 3.020 20 0 EGADMP c1ccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000423081728 309384938 /nfs/dbraw/zinc/38/49/38/309384938.db2.gz VJZOBKWXPIAGEF-XNTOXWQXSA-N 2 1 328.500 3.460 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423094695 309385795 /nfs/dbraw/zinc/38/57/95/309385795.db2.gz KMCZZJUGVZAYOZ-VSBTWAGUSA-N 2 1 341.268 3.422 20 0 EGADMP COCCCOc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423098497 309385962 /nfs/dbraw/zinc/38/59/62/309385962.db2.gz CXJMVZIQFSJNSM-VQTJNVASSA-N 2 1 326.440 3.336 20 0 EGADMP Clc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000423097816 309385980 /nfs/dbraw/zinc/38/59/80/309385980.db2.gz RFCZIZQGBJVGRF-HZZCBIDNSA-N 2 1 334.891 3.333 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000423107749 309386345 /nfs/dbraw/zinc/38/63/45/309386345.db2.gz QFRQSNSFLUPBEM-VQIMIIECSA-N 2 1 325.456 3.138 20 0 EGADMP c1c2ccccc2sc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423138274 309387977 /nfs/dbraw/zinc/38/79/77/309387977.db2.gz SPYPCVIMTDAEKS-KSZLIROESA-N 2 1 330.497 3.191 20 0 EGADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000423165815 309389087 /nfs/dbraw/zinc/38/90/87/309389087.db2.gz UXTREMUXAIQMDG-YZGWKJHDSA-N 2 1 344.524 3.461 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c(C)c1OC ZINC000423258797 309392852 /nfs/dbraw/zinc/39/28/52/309392852.db2.gz CKVXNGCBLYQFPI-KBXCAEBGSA-N 2 1 334.504 3.440 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)c1 ZINC000423335628 309395773 /nfs/dbraw/zinc/39/57/73/309395773.db2.gz UBAKDUMWHUVGFO-QAPCUYQASA-N 2 1 340.471 3.381 20 0 EGADMP CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+][C@H](C)C[NH3+])nc1 ZINC000423340091 309395901 /nfs/dbraw/zinc/39/59/01/309395901.db2.gz WSRINPDFDBMTMN-AUUYWEPGSA-N 2 1 331.891 3.388 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]Cc4ccc5c(c4)C[NH2+]C5)[C@H]3C2)cc1 ZINC000423366186 309397164 /nfs/dbraw/zinc/39/71/64/309397164.db2.gz BQTHCQIIIMRYMN-ACIOBRDBSA-N 2 1 347.506 3.290 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCc4ccc5c(c4)C[NH2+]C5)[C@H]3C2)cc1 ZINC000423366186 309397165 /nfs/dbraw/zinc/39/71/65/309397165.db2.gz BQTHCQIIIMRYMN-ACIOBRDBSA-N 2 1 347.506 3.290 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCc4ccc5c(c4)C[NH2+]C5)[C@H]3C2)cc1 ZINC000423366186 309397166 /nfs/dbraw/zinc/39/71/66/309397166.db2.gz BQTHCQIIIMRYMN-ACIOBRDBSA-N 2 1 347.506 3.290 20 0 EGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc4c(c3)C[NH2+]C4)CC2)C1 ZINC000423384942 309397942 /nfs/dbraw/zinc/39/79/42/309397942.db2.gz LDYMNMCDXAGNPU-IERDGZPVSA-N 3 1 327.516 3.423 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000423417835 309399438 /nfs/dbraw/zinc/39/94/38/309399438.db2.gz TVOARNUDWCGDJE-RTBURBONSA-N 2 1 343.515 3.093 20 0 EGADMP Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423430912 309400155 /nfs/dbraw/zinc/40/01/55/309400155.db2.gz MVGLNLXYGYLHHP-LQKXBSAESA-N 2 1 346.272 3.115 20 0 EGADMP Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCC2 ZINC000423433975 309400325 /nfs/dbraw/zinc/40/03/25/309400325.db2.gz NNYOPKSOYDJVCR-FIRUKDTASA-N 2 1 329.444 3.134 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423437803 309400388 /nfs/dbraw/zinc/40/03/88/309400388.db2.gz QSNGUUGDOBETCZ-KDOFPFPSSA-N 2 1 340.471 3.136 20 0 EGADMP Fc1cccc(C[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2cccc(F)c2)c1 ZINC000423494446 309403079 /nfs/dbraw/zinc/40/30/79/309403079.db2.gz SBLUFRBTRJLEMA-UXHICEINSA-N 2 1 346.421 3.217 20 0 EGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc2C1)C1CCCC1 ZINC000423525019 309404907 /nfs/dbraw/zinc/40/49/07/309404907.db2.gz JYXLQHZPUJRXDY-SJORKVTESA-N 2 1 337.305 3.414 20 0 EGADMP [NH3+]CC1CC[NH+](Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000430618498 309613056 /nfs/dbraw/zinc/61/30/56/309613056.db2.gz USJKNMLTCQAUBB-UHFFFAOYSA-N 2 1 335.448 3.032 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)c(Cl)c1 ZINC000430922176 309621156 /nfs/dbraw/zinc/62/11/56/309621156.db2.gz XZVAYOVDRXKUFJ-KBPBESRZSA-N 2 1 337.895 3.343 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449069868 310034609 /nfs/dbraw/zinc/03/46/09/310034609.db2.gz AGSDYBDCWLRBOY-UHFFFAOYSA-N 2 1 344.478 3.436 20 0 EGADMP CCOC(=O)c1cc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)[nH]c1C ZINC000449084233 310035748 /nfs/dbraw/zinc/03/57/48/310035748.db2.gz XCVTUGXXKZOGIS-OAHLLOKOSA-N 2 1 335.492 3.244 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449088854 310036215 /nfs/dbraw/zinc/03/62/15/310036215.db2.gz ISSFSRYUHBAKHM-UHFFFAOYSA-N 2 1 326.213 3.273 20 0 EGADMP C[C@H]1CSC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449105919 310037594 /nfs/dbraw/zinc/03/75/94/310037594.db2.gz FUPHJRKNHITGFW-YIOZNXECSA-N 2 1 334.529 3.137 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](C)O[C@@H]3C)CC2)cs1 ZINC000449151077 310040706 /nfs/dbraw/zinc/04/07/06/310040706.db2.gz VNKOUIVUFHAGSI-JJRVBVJISA-N 2 1 337.533 3.073 20 0 EGADMP CC[C@@H](C)[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)OC ZINC000449404995 310059396 /nfs/dbraw/zinc/05/93/96/310059396.db2.gz WPAMNADOKKVUSG-UZLBHIALSA-N 2 1 336.495 3.483 20 0 EGADMP CC[N@H+]1CC[C@@H](NCC2([NH+](C)Cc3ccccc3)CCC2)[C@@H](C)C1 ZINC000449472841 310065037 /nfs/dbraw/zinc/06/50/37/310065037.db2.gz GHZQQSKHCIXAFK-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CC[C@@H](NCC2([N@H+](C)Cc3ccccc3)CCC2)[C@@H](C)C1 ZINC000449472841 310065038 /nfs/dbraw/zinc/06/50/38/310065038.db2.gz GHZQQSKHCIXAFK-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CC[C@@H](NCC2([N@@H+](C)Cc3ccccc3)CCC2)[C@@H](C)C1 ZINC000449472841 310065039 /nfs/dbraw/zinc/06/50/39/310065039.db2.gz GHZQQSKHCIXAFK-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]CC2(N(C)Cc3ccccc3)CCC2)[C@@H](C)C1 ZINC000449472841 310065040 /nfs/dbraw/zinc/06/50/40/310065040.db2.gz GHZQQSKHCIXAFK-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(N(C)Cc3ccccc3)CCC2)[C@@H](C)C1 ZINC000449472841 310065041 /nfs/dbraw/zinc/06/50/41/310065041.db2.gz GHZQQSKHCIXAFK-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP FCC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000449488024 310066246 /nfs/dbraw/zinc/06/62/46/310066246.db2.gz BUTGMAVSGKURBE-XUVXKRRUSA-N 2 1 346.490 3.253 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CCC1 ZINC000449738990 310083386 /nfs/dbraw/zinc/08/33/86/310083386.db2.gz HRRPJBISWQDTDP-UWHLTILDSA-N 2 1 328.500 3.038 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@@H+]2CCCC2(C)C)c(C)c1 ZINC000449778013 310086567 /nfs/dbraw/zinc/08/65/67/310086567.db2.gz ARYJZMSIQHDXMA-KRWDZBQOSA-N 2 1 331.504 3.485 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@H+]2CCCC2(C)C)c(C)c1 ZINC000449778013 310086568 /nfs/dbraw/zinc/08/65/68/310086568.db2.gz ARYJZMSIQHDXMA-KRWDZBQOSA-N 2 1 331.504 3.485 20 0 EGADMP CCCc1ccc2[nH+]ccc(N3CC[NH+](Cc4cnn(C)c4)CC3)c2c1 ZINC000450317384 310115151 /nfs/dbraw/zinc/11/51/51/310115151.db2.gz KGJJMQUCDVHGFV-UHFFFAOYSA-N 2 1 349.482 3.243 20 0 EGADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450862768 310146573 /nfs/dbraw/zinc/14/65/73/310146573.db2.gz AJURILUCEYHWJP-FXAWDEMLSA-N 2 1 340.467 3.398 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCN(C4CC4)C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453110565 310258664 /nfs/dbraw/zinc/25/86/64/310258664.db2.gz QKBPHSQRUVJJQV-GBAJDQEWSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH+](C4CC4)C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453110565 310258665 /nfs/dbraw/zinc/25/86/65/310258665.db2.gz QKBPHSQRUVJJQV-GBAJDQEWSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH+](C4CC4)C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453110565 310258666 /nfs/dbraw/zinc/25/86/66/310258666.db2.gz QKBPHSQRUVJJQV-GBAJDQEWSA-N 2 1 339.527 3.256 20 0 EGADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC000453118115 310259012 /nfs/dbraw/zinc/25/90/12/310259012.db2.gz ALAIJRMWUPBPFQ-CMKODMSKSA-N 2 1 346.515 3.213 20 0 EGADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC000453118115 310259013 /nfs/dbraw/zinc/25/90/13/310259013.db2.gz ALAIJRMWUPBPFQ-CMKODMSKSA-N 2 1 346.515 3.213 20 0 EGADMP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C1CC1 ZINC000453132150 310259933 /nfs/dbraw/zinc/25/99/33/310259933.db2.gz XNUCPRXCFOLMPP-WOZUAGRISA-N 2 1 328.500 3.180 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453183615 310262957 /nfs/dbraw/zinc/26/29/57/310262957.db2.gz UTMXGPKBNVQXHE-BDTNDASRSA-N 3 1 339.527 3.281 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453183615 310262958 /nfs/dbraw/zinc/26/29/58/310262958.db2.gz UTMXGPKBNVQXHE-BDTNDASRSA-N 3 1 339.527 3.281 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453183615 310262959 /nfs/dbraw/zinc/26/29/59/310262959.db2.gz UTMXGPKBNVQXHE-BDTNDASRSA-N 3 1 339.527 3.281 20 0 EGADMP C[N@H+]1CC=C(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453183615 310262960 /nfs/dbraw/zinc/26/29/60/310262960.db2.gz UTMXGPKBNVQXHE-BDTNDASRSA-N 2 1 339.527 3.281 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453183615 310262961 /nfs/dbraw/zinc/26/29/61/310262961.db2.gz UTMXGPKBNVQXHE-BDTNDASRSA-N 2 1 339.527 3.281 20 0 EGADMP OC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCC1 ZINC000453217843 310264702 /nfs/dbraw/zinc/26/47/02/310264702.db2.gz UWQHAGHNPHYLOF-ZCNNSNEGSA-N 2 1 328.500 3.324 20 0 EGADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C[NH+](C)C ZINC000453225824 310265261 /nfs/dbraw/zinc/26/52/61/310265261.db2.gz CBVLDGLWLOAXHN-PMXSJFBMSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C[NH+](C)C ZINC000453225824 310265262 /nfs/dbraw/zinc/26/52/62/310265262.db2.gz CBVLDGLWLOAXHN-PMXSJFBMSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C[NH+](C)C ZINC000453225824 310265263 /nfs/dbraw/zinc/26/52/63/310265263.db2.gz CBVLDGLWLOAXHN-PMXSJFBMSA-N 3 1 329.532 3.217 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccn2)[C@@H](C)C1 ZINC000453297663 310269720 /nfs/dbraw/zinc/26/97/20/310269720.db2.gz VEMBLAOPXDRCKP-ROUUACIJSA-N 2 1 333.520 3.086 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(C)c1 ZINC000453419987 310276208 /nfs/dbraw/zinc/27/62/08/310276208.db2.gz JYXKBSLCAGWNAG-KRWDZBQOSA-N 2 1 331.504 3.485 20 0 EGADMP C[N@@H+](CCCC[NH2+]Cc1cc(O)ccc1Br)C1CC1 ZINC000453591649 310283385 /nfs/dbraw/zinc/28/33/85/310283385.db2.gz DDTZZRYAYWCONS-UHFFFAOYSA-N 2 1 327.266 3.119 20 0 EGADMP Cc1cc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cn2cc[nH+]c12 ZINC000455641309 310370894 /nfs/dbraw/zinc/37/08/94/310370894.db2.gz KPAXRKQWZRWUDK-OAHLLOKOSA-N 2 1 331.464 3.131 20 0 EGADMP C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C1=CC[N@@H+](C)CC1 ZINC000455855924 310379716 /nfs/dbraw/zinc/37/97/16/310379716.db2.gz NXSQOSVUDYSNJI-IFXJQAMLSA-N 2 1 342.487 3.007 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455915669 310382159 /nfs/dbraw/zinc/38/21/59/310382159.db2.gz KNQRSPPYIVTENS-KXBFYZLASA-N 2 1 344.503 3.041 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455936482 310382853 /nfs/dbraw/zinc/38/28/53/310382853.db2.gz RZFZSOORVDXKTF-MJGOQNOKSA-N 2 1 344.503 3.184 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459406128 310550382 /nfs/dbraw/zinc/55/03/82/310550382.db2.gz KPVNZZVRTUTYQJ-DOTOQJQBSA-N 2 1 332.492 3.050 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1cccc(Br)c1 ZINC000459639292 310565537 /nfs/dbraw/zinc/56/55/37/310565537.db2.gz KDLDLEOOHYSMOJ-UHFFFAOYSA-N 2 1 334.261 3.242 20 0 EGADMP CC(C)[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000489340042 311101077 /nfs/dbraw/zinc/10/10/77/311101077.db2.gz NZYHOURQQBJDAR-FQEVSTJZSA-N 2 1 343.515 3.085 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)cc1)C(C)C ZINC000489400070 311104241 /nfs/dbraw/zinc/10/42/41/311104241.db2.gz OUQMGKKRWMASLP-HXUWFJFHSA-N 2 1 345.531 3.329 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1)C(C)C ZINC000489400070 311104242 /nfs/dbraw/zinc/10/42/42/311104242.db2.gz OUQMGKKRWMASLP-HXUWFJFHSA-N 2 1 345.531 3.329 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1)C(C)C ZINC000489400070 311104243 /nfs/dbraw/zinc/10/42/43/311104243.db2.gz OUQMGKKRWMASLP-HXUWFJFHSA-N 2 1 345.531 3.329 20 0 EGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000507466010 312073515 /nfs/dbraw/zinc/07/35/15/312073515.db2.gz CBFGRXFUTHRWKL-KTIPNOMGSA-N 2 1 330.516 3.284 20 0 EGADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1(C)C ZINC000507541180 312076667 /nfs/dbraw/zinc/07/66/67/312076667.db2.gz YIHLZSAJNQRMMU-UHZRXMQZSA-N 2 1 328.500 3.300 20 0 EGADMP C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714069 312100977 /nfs/dbraw/zinc/10/09/77/312100977.db2.gz GWDNDPFSPRVICJ-KCLUMXDGSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714076 312100983 /nfs/dbraw/zinc/10/09/83/312100983.db2.gz GWDNDPFSPRVICJ-VMXMFDLUSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+]1CCCCCC1 ZINC000510419245 312140328 /nfs/dbraw/zinc/14/03/28/312140328.db2.gz FFZCVUADFMCJMW-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000512677884 312192206 /nfs/dbraw/zinc/19/22/06/312192206.db2.gz MMEFBOUSLZOUSX-NPDDRXJXSA-N 2 1 341.543 3.281 20 0 EGADMP CCN1C[C@H](C)[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000513514081 312211916 /nfs/dbraw/zinc/21/19/16/312211916.db2.gz VXSZILKGGHJJGJ-UYWIDEMCSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1 ZINC000517677461 312387765 /nfs/dbraw/zinc/38/77/65/312387765.db2.gz IRWOLXQZMDAGPZ-COPCDDAFSA-N 2 1 338.495 3.263 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1 ZINC000517677461 312387766 /nfs/dbraw/zinc/38/77/66/312387766.db2.gz IRWOLXQZMDAGPZ-COPCDDAFSA-N 2 1 338.495 3.263 20 0 EGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(-n2cccn2)c(F)c1 ZINC000517755010 312392439 /nfs/dbraw/zinc/39/24/39/312392439.db2.gz KNOFNLKQIVZTMZ-CQSZACIVSA-N 2 1 327.407 3.028 20 0 EGADMP Cc1ccc([C@@H](CNc2cc[nH+]c3ccccc23)[NH+]2CCOCC2)cc1 ZINC000521092110 312531907 /nfs/dbraw/zinc/53/19/07/312531907.db2.gz IWEPHNINUPYNAV-JOCHJYFZSA-N 2 1 347.462 3.451 20 0 EGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000531713611 313704330 /nfs/dbraw/zinc/70/43/30/313704330.db2.gz AIJKKTNJZODERN-IRXDYDNUSA-N 2 1 332.488 3.155 20 0 EGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000531713612 313704623 /nfs/dbraw/zinc/70/46/23/313704623.db2.gz AIJKKTNJZODERN-SJORKVTESA-N 2 1 332.488 3.155 20 0 EGADMP CC[C@@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C1CCOCC1 ZINC000532224940 313771066 /nfs/dbraw/zinc/77/10/66/313771066.db2.gz RUICCLKDEPCCFR-LJQANCHMSA-N 2 1 349.519 3.298 20 0 EGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3cc[nH]c3)cc2)C[C@H]1C ZINC000539223338 314301530 /nfs/dbraw/zinc/30/15/30/314301530.db2.gz CXEJYIGNCUXXEB-HDICACEKSA-N 2 1 341.499 3.314 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000540178088 314367676 /nfs/dbraw/zinc/36/76/76/314367676.db2.gz PVXBGQPMIIWHDS-ZIAGYGMSSA-N 2 1 326.444 3.063 20 0 EGADMP CCC[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000540520167 314386890 /nfs/dbraw/zinc/38/68/90/314386890.db2.gz OGOLDVWBGJMKCY-LEWJYISDSA-N 2 1 329.532 3.457 20 0 EGADMP CCC[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000540520167 314386894 /nfs/dbraw/zinc/38/68/94/314386894.db2.gz OGOLDVWBGJMKCY-LEWJYISDSA-N 2 1 329.532 3.457 20 0 EGADMP CCC[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000540520167 314386898 /nfs/dbraw/zinc/38/68/98/314386898.db2.gz OGOLDVWBGJMKCY-LEWJYISDSA-N 2 1 329.532 3.457 20 0 EGADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000134093903 454502046 /nfs/dbraw/zinc/50/20/46/454502046.db2.gz ZSOOGCPXJHZKOY-GJZGRUSLSA-N 2 1 331.495 3.062 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549115145 315076634 /nfs/dbraw/zinc/07/66/34/315076634.db2.gz DLJWZROEDCGIFY-GOSISDBHSA-N 2 1 346.515 3.466 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549115145 315076636 /nfs/dbraw/zinc/07/66/36/315076636.db2.gz DLJWZROEDCGIFY-GOSISDBHSA-N 2 1 346.515 3.466 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000551210930 315145285 /nfs/dbraw/zinc/14/52/85/315145285.db2.gz CSCBRZRVVOAHMJ-ICSRJNTNSA-N 2 1 332.488 3.064 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000551750188 315166696 /nfs/dbraw/zinc/16/66/96/315166696.db2.gz WMOHPDHRYVOHJT-GOSISDBHSA-N 2 1 345.531 3.258 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12 ZINC000552337376 315214077 /nfs/dbraw/zinc/21/40/77/315214077.db2.gz RVOSMEATUSJTGE-CLAROIROSA-N 2 1 341.543 3.361 20 0 EGADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000552337376 315214078 /nfs/dbraw/zinc/21/40/78/315214078.db2.gz RVOSMEATUSJTGE-CLAROIROSA-N 2 1 341.543 3.361 20 0 EGADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000552337376 315214079 /nfs/dbraw/zinc/21/40/79/315214079.db2.gz RVOSMEATUSJTGE-CLAROIROSA-N 2 1 341.543 3.361 20 0 EGADMP CCCN1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000552337376 315214081 /nfs/dbraw/zinc/21/40/81/315214081.db2.gz RVOSMEATUSJTGE-CLAROIROSA-N 2 1 341.543 3.361 20 0 EGADMP CCCN1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000552337376 315214082 /nfs/dbraw/zinc/21/40/82/315214082.db2.gz RVOSMEATUSJTGE-CLAROIROSA-N 2 1 341.543 3.361 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C(C)(C)C)C[C@H]2C)CC1 ZINC000553987682 315292179 /nfs/dbraw/zinc/29/21/79/315292179.db2.gz QSTQJJODFPTMEU-SJORKVTESA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@@H]1CO[C@H](C)C[NH+]1CCCCC[N@@H+]1C[C@@H](C)OC[C@H]1CC ZINC000555022875 315362598 /nfs/dbraw/zinc/36/25/98/315362598.db2.gz RQEGLBIEZIIEIT-NCXUSEDFSA-N 2 1 326.525 3.155 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000555618847 315394791 /nfs/dbraw/zinc/39/47/91/315394791.db2.gz QKYPZQPPVNJGGM-IBGZPJMESA-N 2 1 334.479 3.381 20 0 EGADMP CC(C)CC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000563842200 316077378 /nfs/dbraw/zinc/07/73/78/316077378.db2.gz OJXJKTYWVJWMJE-NJYVYQBISA-N 2 1 330.516 3.237 20 0 EGADMP CC(C)CC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000563842200 316077380 /nfs/dbraw/zinc/07/73/80/316077380.db2.gz OJXJKTYWVJWMJE-NJYVYQBISA-N 2 1 330.516 3.237 20 0 EGADMP CC(C)CC[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000563842200 316077382 /nfs/dbraw/zinc/07/73/82/316077382.db2.gz OJXJKTYWVJWMJE-NJYVYQBISA-N 2 1 330.516 3.237 20 0 EGADMP CC(C)(C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1)[NH+]1CCCCC1 ZINC000564844793 316216219 /nfs/dbraw/zinc/21/62/19/316216219.db2.gz PTUNZQBPGZLBFP-UHFFFAOYSA-N 2 1 339.430 3.148 20 0 EGADMP C[N@@H+](CCC[NH3+])Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000564968963 316239425 /nfs/dbraw/zinc/23/94/25/316239425.db2.gz LYJURHHAOIISPU-UHFFFAOYSA-N 2 1 338.430 3.459 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H]2CCCc3ccccc32)CC1 ZINC000565962740 316395442 /nfs/dbraw/zinc/39/54/42/316395442.db2.gz YZUYJCOLNXCEMC-NRFANRHFSA-N 2 1 329.532 3.412 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000570895328 317122658 /nfs/dbraw/zinc/12/26/58/317122658.db2.gz QEMDQPROZBXOAV-AVRDEDQJSA-N 2 1 341.543 3.337 20 0 EGADMP Cc1ccc2[nH]c(C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)nc2c1 ZINC000571753124 317242104 /nfs/dbraw/zinc/24/21/04/317242104.db2.gz ZTCZHJVDNRIICK-RXVVDRJESA-N 2 1 348.450 3.217 20 0 EGADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H]2CCCc2ccccc2)n1 ZINC000572294970 317317334 /nfs/dbraw/zinc/31/73/34/317317334.db2.gz OQMPUMCKBPFHFV-MRXNPFEDSA-N 2 1 328.460 3.251 20 0 EGADMP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000572713922 317379686 /nfs/dbraw/zinc/37/96/86/317379686.db2.gz MNMSTTAELRETTP-CQSZACIVSA-N 2 1 341.503 3.420 20 0 EGADMP C[C@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[NH+]1CC(C)C1 ZINC000572828050 317397104 /nfs/dbraw/zinc/39/71/04/317397104.db2.gz YQYKMQGNEISPHW-QGZVFWFLSA-N 2 1 329.488 3.197 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000185623912 455586515 /nfs/dbraw/zinc/58/65/15/455586515.db2.gz KBSJQQKJHIURNE-FZMZJTMJSA-N 2 1 332.414 3.197 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000185623912 455586517 /nfs/dbraw/zinc/58/65/17/455586517.db2.gz KBSJQQKJHIURNE-FZMZJTMJSA-N 2 1 332.414 3.197 20 0 EGADMP COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)c(Br)c1 ZINC000285474976 455852347 /nfs/dbraw/zinc/85/23/47/455852347.db2.gz OBKAEXHGYKIEQG-UHFFFAOYSA-N 2 1 338.249 3.143 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCC(F)(F)F ZINC000174516539 323307402 /nfs/dbraw/zinc/30/74/02/323307402.db2.gz CVSWGTRZXRARLT-JSGCOSHPSA-N 2 1 346.393 3.209 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCC(F)(F)F ZINC000174516539 323307407 /nfs/dbraw/zinc/30/74/07/323307407.db2.gz CVSWGTRZXRARLT-JSGCOSHPSA-N 2 1 346.393 3.209 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000177902075 323347426 /nfs/dbraw/zinc/34/74/26/323347426.db2.gz VLGQSQYHWCALLZ-DVOMOZLQSA-N 2 1 330.394 3.403 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cncc(OCc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000579100411 325061986 /nfs/dbraw/zinc/06/19/86/325061986.db2.gz YFHDIRQISPANNL-VQIMIIECSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000579100411 325061990 /nfs/dbraw/zinc/06/19/90/325061990.db2.gz YFHDIRQISPANNL-VQIMIIECSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000579715143 325149799 /nfs/dbraw/zinc/14/97/99/325149799.db2.gz QOJPSTRBBJRNGY-PXNSSMCTSA-N 2 1 343.515 3.209 20 0 EGADMP CC(C)n1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nn1 ZINC000580118390 325205533 /nfs/dbraw/zinc/20/55/33/325205533.db2.gz DZKWDAWGRNQUAA-IEBWSBKVSA-N 2 1 341.503 3.249 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCCCC[NH2+]3)cc2)C1 ZINC000580314847 325233917 /nfs/dbraw/zinc/23/39/17/325233917.db2.gz KWEZNMQAXAXQBV-LPHOPBHVSA-N 2 1 329.488 3.389 20 0 EGADMP CCCc1nc(C)c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000581125316 325332818 /nfs/dbraw/zinc/33/28/18/325332818.db2.gz LOJGZQDAUXUNCU-OXQOHEQNSA-N 2 1 341.455 3.281 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2cccs2)C[C@@H]1n1ccnc1 ZINC000180720124 455233426 /nfs/dbraw/zinc/23/34/26/455233426.db2.gz RYTGPVBQFBDUEE-HOCLYGCPSA-N 2 1 341.484 3.428 20 0 EGADMP c1cnn(CCC[NH2+][C@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000183127460 455234396 /nfs/dbraw/zinc/23/43/96/455234396.db2.gz LCJDYTFVAIFSAG-NJYVYQBISA-N 2 1 338.499 3.164 20 0 EGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423491408 458442685 /nfs/dbraw/zinc/44/26/85/458442685.db2.gz JOCMRSVFKMGGSH-SGMGOOAPSA-N 2 1 347.286 3.117 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183142974 455237686 /nfs/dbraw/zinc/23/76/86/455237686.db2.gz SKPGUEGSSUGADX-ZDUSSCGKSA-N 2 1 330.398 3.023 20 0 EGADMP C[C@H]1C[C@@H](N(C)C(=O)[C@]2(C)CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000181006378 455275594 /nfs/dbraw/zinc/27/55/94/455275594.db2.gz LXGUEJDYJWISKE-CUWPLCDZSA-N 2 1 343.515 3.030 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2)cc1 ZINC000158248724 455283701 /nfs/dbraw/zinc/28/37/01/455283701.db2.gz UTOXCPGULZNGSV-OXJNMPFZSA-N 2 1 335.451 3.435 20 0 EGADMP c1cc(OC[C@H]2CCCO2)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245542474 455325040 /nfs/dbraw/zinc/32/50/40/455325040.db2.gz PUPAMLMNBISAGB-PZJWPPBQSA-N 2 1 344.499 3.162 20 0 EGADMP c1cc(OC[C@H]2CCCO2)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245542474 455325044 /nfs/dbraw/zinc/32/50/44/455325044.db2.gz PUPAMLMNBISAGB-PZJWPPBQSA-N 2 1 344.499 3.162 20 0 EGADMP CC(C)[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000159109645 455353058 /nfs/dbraw/zinc/35/30/58/455353058.db2.gz XQVASTMOPKIFQJ-IBGZPJMESA-N 2 1 331.504 3.059 20 0 EGADMP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCCC[C@H]1C ZINC000066410500 453842576 /nfs/dbraw/zinc/84/25/76/453842576.db2.gz OOQDFHJKCSERPK-MSOLQXFVSA-N 2 1 343.515 3.275 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccncc3Cl)CC2)C[C@H](C)O1 ZINC000075684814 453918720 /nfs/dbraw/zinc/91/87/20/453918720.db2.gz AVWNOAULXUIJNF-GASCZTMLSA-N 2 1 337.895 3.056 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccncc3Cl)CC2)C[C@H](C)O1 ZINC000075684814 453918723 /nfs/dbraw/zinc/91/87/23/453918723.db2.gz AVWNOAULXUIJNF-GASCZTMLSA-N 2 1 337.895 3.056 20 0 EGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccncc3Cl)CC2)C[C@@H](C)O1 ZINC000075684816 453918977 /nfs/dbraw/zinc/91/89/77/453918977.db2.gz AVWNOAULXUIJNF-HUUCEWRRSA-N 2 1 337.895 3.056 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[NH+](C)C2CCC2)cc1 ZINC000075840704 453930623 /nfs/dbraw/zinc/93/06/23/453930623.db2.gz DIDQTPFYARFVFJ-KRWDZBQOSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)C[N@H+](C)C2CCC2)cc1 ZINC000075840704 453930625 /nfs/dbraw/zinc/93/06/25/453930625.db2.gz DIDQTPFYARFVFJ-KRWDZBQOSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC000075840704 453930627 /nfs/dbraw/zinc/93/06/27/453930627.db2.gz DIDQTPFYARFVFJ-KRWDZBQOSA-N 2 1 343.515 3.162 20 0 EGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000184505836 455392949 /nfs/dbraw/zinc/39/29/49/455392949.db2.gz AMTHZXWVSLGQHP-IRXDYDNUSA-N 2 1 348.487 3.154 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000041822715 453980350 /nfs/dbraw/zinc/98/03/50/453980350.db2.gz XAMFOBMDOQIHAS-INIZCTEOSA-N 2 1 335.492 3.116 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000089669475 454175634 /nfs/dbraw/zinc/17/56/34/454175634.db2.gz PKAAOJGSUNCPFC-INMHGKMJSA-N 2 1 344.528 3.456 20 0 EGADMP Clc1cccc(-c2noc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)n2)c1 ZINC000089728238 454184094 /nfs/dbraw/zinc/18/40/94/454184094.db2.gz IPWJNCOUKFAHGY-HZPDHXFCSA-N 2 1 346.862 3.149 20 0 EGADMP Cc1nccn1CCC[N@H+](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000130457580 454199493 /nfs/dbraw/zinc/19/94/93/454199493.db2.gz QJGGTJFRWCZDOY-UHFFFAOYSA-N 2 1 334.851 3.114 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000130457580 454199502 /nfs/dbraw/zinc/19/95/02/454199502.db2.gz QJGGTJFRWCZDOY-UHFFFAOYSA-N 2 1 334.851 3.114 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC000119686769 454213493 /nfs/dbraw/zinc/21/34/93/454213493.db2.gz BXFCKEAJROONPH-UHFFFAOYSA-N 2 1 341.455 3.496 20 0 EGADMP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000131198912 454241062 /nfs/dbraw/zinc/24/10/62/454241062.db2.gz TUMWAYFLSHKPQR-INIZCTEOSA-N 2 1 329.488 3.341 20 0 EGADMP CC[NH+](CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000131198912 454241064 /nfs/dbraw/zinc/24/10/64/454241064.db2.gz TUMWAYFLSHKPQR-INIZCTEOSA-N 2 1 329.488 3.341 20 0 EGADMP CC[NH+](CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000131198912 454241067 /nfs/dbraw/zinc/24/10/67/454241067.db2.gz TUMWAYFLSHKPQR-INIZCTEOSA-N 2 1 329.488 3.341 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000120002708 454246324 /nfs/dbraw/zinc/24/63/24/454246324.db2.gz ZTGNKTGXLZNURJ-XJKCOSOUSA-N 2 1 330.394 3.446 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000090044596 454265658 /nfs/dbraw/zinc/26/56/58/454265658.db2.gz BHOXZBXGJFLTEO-IJEWVQPXSA-N 2 1 330.501 3.066 20 0 EGADMP CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120327410 454286799 /nfs/dbraw/zinc/28/67/99/454286799.db2.gz ORJWBAMMSZOZRA-OWCLPIDISA-N 2 1 327.513 3.142 20 0 EGADMP CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000120327410 454286805 /nfs/dbraw/zinc/28/68/05/454286805.db2.gz ORJWBAMMSZOZRA-OWCLPIDISA-N 2 1 327.513 3.142 20 0 EGADMP CC(C)[C@@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000078966280 454346158 /nfs/dbraw/zinc/34/61/58/454346158.db2.gz IIKNGYJDGIRLEM-QGZVFWFLSA-N 2 1 339.524 3.096 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000121416366 454432778 /nfs/dbraw/zinc/43/27/78/454432778.db2.gz DNCOKJSXBHMPMG-SJORKVTESA-N 3 1 344.503 3.119 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000121423995 454433384 /nfs/dbraw/zinc/43/33/84/454433384.db2.gz VEWQYDFAAFIBEO-ZIAGYGMSSA-N 2 1 348.878 3.488 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000063755981 454444088 /nfs/dbraw/zinc/44/40/88/454444088.db2.gz DXXXCLQVWRNALE-ROUUACIJSA-N 2 1 345.531 3.123 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000121668934 454463429 /nfs/dbraw/zinc/46/34/29/454463429.db2.gz ZWVKHCAQHBOWME-BURNTYAHSA-N 2 1 340.511 3.098 20 0 EGADMP C[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000092253506 454542653 /nfs/dbraw/zinc/54/26/53/454542653.db2.gz KUTPVNXCNPNREL-ZDUSSCGKSA-N 2 1 334.414 3.129 20 0 EGADMP C[N@H+](Cc1c[nH]nc1-c1c(F)cccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000092253506 454542657 /nfs/dbraw/zinc/54/26/57/454542657.db2.gz KUTPVNXCNPNREL-ZDUSSCGKSA-N 2 1 334.414 3.129 20 0 EGADMP C[NH+](Cc1c[nH]nc1-c1c(F)cccc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000092253506 454542661 /nfs/dbraw/zinc/54/26/61/454542661.db2.gz KUTPVNXCNPNREL-ZDUSSCGKSA-N 2 1 334.414 3.129 20 0 EGADMP C[NH+](Cc1c[nH]nc1-c1c(F)cccc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253506 454542664 /nfs/dbraw/zinc/54/26/64/454542664.db2.gz KUTPVNXCNPNREL-ZDUSSCGKSA-N 2 1 334.414 3.129 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000104143953 454576976 /nfs/dbraw/zinc/57/69/76/454576976.db2.gz ZQSSZIBWRLHWSX-IBGZPJMESA-N 2 1 329.488 3.485 20 0 EGADMP COc1ccc(OCCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134902042 454606056 /nfs/dbraw/zinc/60/60/56/454606056.db2.gz MTPWQEKDWGOAIR-DYESRHJHSA-N 2 1 344.499 3.413 20 0 EGADMP COc1ccc(OCCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134902042 454606058 /nfs/dbraw/zinc/60/60/58/454606058.db2.gz MTPWQEKDWGOAIR-DYESRHJHSA-N 2 1 344.499 3.413 20 0 EGADMP COc1ccc(OCCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134902042 454606063 /nfs/dbraw/zinc/60/60/63/454606063.db2.gz MTPWQEKDWGOAIR-DYESRHJHSA-N 2 1 344.499 3.413 20 0 EGADMP COc1ccc(OCCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134902042 454606068 /nfs/dbraw/zinc/60/60/68/454606068.db2.gz MTPWQEKDWGOAIR-DYESRHJHSA-N 2 1 344.499 3.413 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135108548 454634842 /nfs/dbraw/zinc/63/48/42/454634842.db2.gz ZEZVBPAICCTRSG-GOSISDBHSA-N 2 1 332.488 3.416 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135108548 454634851 /nfs/dbraw/zinc/63/48/51/454634851.db2.gz ZEZVBPAICCTRSG-GOSISDBHSA-N 2 1 332.488 3.416 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000135255220 454653884 /nfs/dbraw/zinc/65/38/84/454653884.db2.gz YBYWJVXQSSDFAP-WBVHZDCISA-N 2 1 338.467 3.376 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000052208897 454660675 /nfs/dbraw/zinc/66/06/75/454660675.db2.gz QQXSBJZBMINWMW-HDICACEKSA-N 2 1 337.552 3.220 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000162157892 454754828 /nfs/dbraw/zinc/75/48/28/454754828.db2.gz JOBACSXZRVFHJN-SFHVURJKSA-N 2 1 345.531 3.196 20 0 EGADMP CC[C@@H]1Oc2cc([C@H](C)[NH2+]CCC[NH+]3CCCCC3)ccc2NC1=O ZINC000162400800 454772342 /nfs/dbraw/zinc/77/23/42/454772342.db2.gz NCWJAANLZHIZAF-YJBOKZPZSA-N 2 1 345.487 3.323 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000162436026 454775474 /nfs/dbraw/zinc/77/54/74/454775474.db2.gz CTWXCLSDVTVXDQ-GOSISDBHSA-N 2 1 326.488 3.458 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000124850370 454776072 /nfs/dbraw/zinc/77/60/72/454776072.db2.gz XHUXJSBNOIABEJ-LJQANCHMSA-N 2 1 341.499 3.028 20 0 EGADMP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000124850370 454776073 /nfs/dbraw/zinc/77/60/73/454776073.db2.gz XHUXJSBNOIABEJ-LJQANCHMSA-N 2 1 341.499 3.028 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000124850370 454776074 /nfs/dbraw/zinc/77/60/74/454776074.db2.gz XHUXJSBNOIABEJ-LJQANCHMSA-N 2 1 341.499 3.028 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000124850370 454776075 /nfs/dbraw/zinc/77/60/75/454776075.db2.gz XHUXJSBNOIABEJ-LJQANCHMSA-N 2 1 341.499 3.028 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000124850370 454776076 /nfs/dbraw/zinc/77/60/76/454776076.db2.gz XHUXJSBNOIABEJ-LJQANCHMSA-N 2 1 341.499 3.028 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010458 460654225 /nfs/dbraw/zinc/65/42/25/460654225.db2.gz LSNZCLGSRVBDMM-WZONZLPQSA-N 3 1 349.522 3.333 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010458 460654238 /nfs/dbraw/zinc/65/42/38/460654238.db2.gz LSNZCLGSRVBDMM-WZONZLPQSA-N 2 1 349.522 3.333 20 0 EGADMP CCN(C[C@@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C1)CC(F)(F)F ZINC000124945627 454784871 /nfs/dbraw/zinc/78/48/71/454784871.db2.gz JSPCMWVTUMYGMF-INIZCTEOSA-N 2 1 346.441 3.178 20 0 EGADMP CCN(C[C@@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C1)CC(F)(F)F ZINC000124945627 454784873 /nfs/dbraw/zinc/78/48/73/454784873.db2.gz JSPCMWVTUMYGMF-INIZCTEOSA-N 2 1 346.441 3.178 20 0 EGADMP CC(C)[C@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC000153403815 454789818 /nfs/dbraw/zinc/78/98/18/454789818.db2.gz ZSTXQCACCCPOSJ-KRWDZBQOSA-N 2 1 349.485 3.359 20 0 EGADMP COc1cccc(Oc2ncccc2C[NH2+][C@H]2CCN(C)C[C@H]2C)c1 ZINC000162726118 454796627 /nfs/dbraw/zinc/79/66/27/454796627.db2.gz UQPBLGKNXGWEAN-BEFAXECRSA-N 2 1 341.455 3.312 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC(C)(C)OC3(C)C)CC2)oc1C ZINC000162776995 454799576 /nfs/dbraw/zinc/79/95/76/454799576.db2.gz IUMNOLKMYVEJHE-KRWDZBQOSA-N 2 1 349.519 3.439 20 0 EGADMP CCC(CC)(CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000111635213 454870207 /nfs/dbraw/zinc/87/02/07/454870207.db2.gz YQBSNKIHDZUDQE-FUHWJXTLSA-N 2 1 331.504 3.106 20 0 EGADMP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000164883850 454891239 /nfs/dbraw/zinc/89/12/39/454891239.db2.gz ZBIZNBVZKXYVJD-CEWLAPEOSA-N 2 1 344.547 3.146 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000164883850 454891240 /nfs/dbraw/zinc/89/12/40/454891240.db2.gz ZBIZNBVZKXYVJD-CEWLAPEOSA-N 2 1 344.547 3.146 20 0 EGADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000164883850 454891242 /nfs/dbraw/zinc/89/12/42/454891242.db2.gz ZBIZNBVZKXYVJD-CEWLAPEOSA-N 2 1 344.547 3.146 20 0 EGADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000164883850 454891244 /nfs/dbraw/zinc/89/12/44/454891244.db2.gz ZBIZNBVZKXYVJD-CEWLAPEOSA-N 2 1 344.547 3.146 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000178113144 454936093 /nfs/dbraw/zinc/93/60/93/454936093.db2.gz UUXFQHMQHWMHIL-QPHKYOTMSA-N 2 1 336.545 3.443 20 0 EGADMP CC(C)[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC1 ZINC000170643241 454946821 /nfs/dbraw/zinc/94/68/21/454946821.db2.gz NEDBZHLJGGJAGS-UHFFFAOYSA-N 2 1 347.528 3.047 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ccccc23)[C@H](C)C1 ZINC000151313729 454966856 /nfs/dbraw/zinc/96/68/56/454966856.db2.gz IBJZYJLXFTWBGV-YLJYHZDGSA-N 2 1 343.515 3.437 20 0 EGADMP CCSc1ccccc1[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128341001 455047521 /nfs/dbraw/zinc/04/75/21/455047521.db2.gz KYGXEZZPRDOJHJ-KRWDZBQOSA-N 2 1 335.561 3.477 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000151983691 455057612 /nfs/dbraw/zinc/05/76/12/455057612.db2.gz UKPFOEWHDMGYFD-SFHVURJKSA-N 2 1 342.487 3.336 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)[C@H](C)C1 ZINC000156319044 455104068 /nfs/dbraw/zinc/10/40/68/455104068.db2.gz HQKSKUBYANEXQU-XLIONFOSSA-N 2 1 339.483 3.481 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)[C@H](C)C1 ZINC000156319044 455104071 /nfs/dbraw/zinc/10/40/71/455104071.db2.gz HQKSKUBYANEXQU-XLIONFOSSA-N 2 1 339.483 3.481 20 0 EGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000623656579 460662973 /nfs/dbraw/zinc/66/29/73/460662973.db2.gz XQTPUCYKQTZKGP-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000623656579 460662980 /nfs/dbraw/zinc/66/29/80/460662980.db2.gz XQTPUCYKQTZKGP-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000119023898 455120649 /nfs/dbraw/zinc/12/06/49/455120649.db2.gz CGYOYHVNNZJCSJ-WMZOPIPTSA-N 2 1 344.499 3.199 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000623657044 460665748 /nfs/dbraw/zinc/66/57/48/460665748.db2.gz ISPVIAZFTJJGLB-ZDUSSCGKSA-N 2 1 334.414 3.176 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000237277264 455167908 /nfs/dbraw/zinc/16/79/08/455167908.db2.gz YKKCLJWIWROTEV-IBGZPJMESA-N 2 1 337.467 3.257 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC2CC[NH2+]CC2)cc1 ZINC000237350840 455176339 /nfs/dbraw/zinc/17/63/39/455176339.db2.gz FTSGHTLCFJWWDR-MRXNPFEDSA-N 2 1 329.488 3.389 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000237354767 455177645 /nfs/dbraw/zinc/17/76/45/455177645.db2.gz NQFFHCQCSUMTTI-APWZRJJASA-N 2 1 341.499 3.389 20 0 EGADMP COc1ccc(OCCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157416879 455192655 /nfs/dbraw/zinc/19/26/55/455192655.db2.gz DUZODLZHFLWNPM-SFHVURJKSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CC3([NH3+])CCC3)cc2)C1 ZINC000237686689 455207544 /nfs/dbraw/zinc/20/75/44/455207544.db2.gz NSIGFCGJVXGQNV-CALCHBBNSA-N 2 1 343.515 3.052 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)CCOCC(F)(F)C(F)(F)F)CC1 ZINC000189502448 455208010 /nfs/dbraw/zinc/20/80/10/455208010.db2.gz KQCPINOZHZPUAR-UHFFFAOYSA-N 2 1 332.357 3.007 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000158578901 455313844 /nfs/dbraw/zinc/31/38/44/455313844.db2.gz PHTDLBFTNSHXSK-IYBDPMFKSA-N 2 1 331.495 3.064 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245513658 455318053 /nfs/dbraw/zinc/31/80/53/455318053.db2.gz DHIWXUQYFYOQBM-AZUAARDMSA-N 2 1 332.488 3.018 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245513658 455318058 /nfs/dbraw/zinc/31/80/58/455318058.db2.gz DHIWXUQYFYOQBM-AZUAARDMSA-N 2 1 332.488 3.018 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245513658 455318060 /nfs/dbraw/zinc/31/80/60/455318060.db2.gz DHIWXUQYFYOQBM-AZUAARDMSA-N 2 1 332.488 3.018 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245513658 455318063 /nfs/dbraw/zinc/31/80/63/455318063.db2.gz DHIWXUQYFYOQBM-AZUAARDMSA-N 2 1 332.488 3.018 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245513658 455318068 /nfs/dbraw/zinc/31/80/68/455318068.db2.gz DHIWXUQYFYOQBM-AZUAARDMSA-N 2 1 332.488 3.018 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245914194 455398767 /nfs/dbraw/zinc/39/87/67/455398767.db2.gz GEXIHEOEHWKLBY-IXDOHACOSA-N 2 1 339.524 3.001 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000245946037 455405391 /nfs/dbraw/zinc/40/53/91/455405391.db2.gz KNFFNORHQSKLHR-COPLHBTASA-N 2 1 332.414 3.196 20 0 EGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246347620 455473952 /nfs/dbraw/zinc/47/39/52/455473952.db2.gz HJIZQVCTTVBQMB-VNHYZAJKSA-N 2 1 325.294 3.452 20 0 EGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246347620 455473954 /nfs/dbraw/zinc/47/39/54/455473954.db2.gz HJIZQVCTTVBQMB-VNHYZAJKSA-N 2 1 325.294 3.452 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)[C@@H](C)C1 ZINC000246351851 455475325 /nfs/dbraw/zinc/47/53/25/455475325.db2.gz HUCJLJIOSFUTQB-XJKSGUPXSA-N 2 1 348.878 3.252 20 0 EGADMP C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182262002 455475766 /nfs/dbraw/zinc/47/57/66/455475766.db2.gz BCOXCTJOCGGHFI-YJBOKZPZSA-N 2 1 336.545 3.263 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246837699 455529251 /nfs/dbraw/zinc/52/92/51/455529251.db2.gz OONSCMPWWAHJJJ-QBYKVAOYSA-N 2 1 347.547 3.019 20 0 EGADMP COc1ccc(C[C@@H](C)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000185253632 455530191 /nfs/dbraw/zinc/53/01/91/455530191.db2.gz HJEWXOWKZKAKIC-SJLPKXTDSA-N 2 1 334.479 3.431 20 0 EGADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000182531742 455534813 /nfs/dbraw/zinc/53/48/13/455534813.db2.gz FNVHVJOHNKBUJJ-INIZCTEOSA-N 2 1 332.488 3.145 20 0 EGADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000182531742 455534816 /nfs/dbraw/zinc/53/48/16/455534816.db2.gz FNVHVJOHNKBUJJ-INIZCTEOSA-N 2 1 332.488 3.145 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000246941215 455537441 /nfs/dbraw/zinc/53/74/41/455537441.db2.gz HRMJPOQQLSFYDC-IAGOWNOFSA-N 2 1 345.487 3.414 20 0 EGADMP C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1C ZINC000247082870 455556415 /nfs/dbraw/zinc/55/64/15/455556415.db2.gz XCAVNXLTZZSUEY-ROUUACIJSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC000247085101 455557790 /nfs/dbraw/zinc/55/77/90/455557790.db2.gz WAOBUVXLJVAVKW-GIVPXCGWSA-N 2 1 330.516 3.176 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000247085101 455557791 /nfs/dbraw/zinc/55/77/91/455557791.db2.gz WAOBUVXLJVAVKW-GIVPXCGWSA-N 2 1 330.516 3.176 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000247085101 455557793 /nfs/dbraw/zinc/55/77/93/455557793.db2.gz WAOBUVXLJVAVKW-GIVPXCGWSA-N 2 1 330.516 3.176 20 0 EGADMP Cc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000247138902 455564540 /nfs/dbraw/zinc/56/45/40/455564540.db2.gz WBGGPKDBIBWELF-ZSXPUABSSA-N 2 1 329.532 3.450 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@@H](C)C1 ZINC000247136504 455564672 /nfs/dbraw/zinc/56/46/72/455564672.db2.gz VYQPNRQNOZBJID-QFBILLFUSA-N 3 1 335.561 3.280 20 0 EGADMP CCN1CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@@H](C)C1 ZINC000247136504 455564676 /nfs/dbraw/zinc/56/46/76/455564676.db2.gz VYQPNRQNOZBJID-QFBILLFUSA-N 2 1 335.561 3.280 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(F)cc3C)C2)[C@H](C)C1 ZINC000247136904 455565221 /nfs/dbraw/zinc/56/52/21/455565221.db2.gz AXCLYWWUJPNTPV-NEWSRXKRSA-N 2 1 333.495 3.423 20 0 EGADMP Cc1nc(C)c(C)c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC000192227035 455577321 /nfs/dbraw/zinc/57/73/21/455577321.db2.gz MCSSURPWIBDLQO-IBGZPJMESA-N 2 1 340.471 3.105 20 0 EGADMP CCc1cc(=O)[nH]c(C[NH+]2CCC(CCC[NH+](CC)CC)CC2)n1 ZINC000182756739 455581799 /nfs/dbraw/zinc/58/17/99/455581799.db2.gz COTLYQIBMVXMDW-UHFFFAOYSA-N 2 1 334.508 3.079 20 0 EGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000247396529 455595355 /nfs/dbraw/zinc/59/53/55/455595355.db2.gz QWDJIDVLYPCDOF-VQIMIIECSA-N 2 1 337.458 3.128 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cccc(F)c1 ZINC000185707939 455602344 /nfs/dbraw/zinc/60/23/44/455602344.db2.gz RBAUPSUDRVXVGB-HRCADAONSA-N 2 1 347.478 3.395 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cccc(F)c1 ZINC000185707939 455602347 /nfs/dbraw/zinc/60/23/47/455602347.db2.gz RBAUPSUDRVXVGB-HRCADAONSA-N 2 1 347.478 3.395 20 0 EGADMP CCc1oc(C(=O)OC)cc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185726065 455607486 /nfs/dbraw/zinc/60/74/86/455607486.db2.gz RPVWUYDVRQGOPB-CABCVRRESA-N 2 1 348.487 3.371 20 0 EGADMP CCc1oc(C(=O)OC)cc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185726065 455607492 /nfs/dbraw/zinc/60/74/92/455607492.db2.gz RPVWUYDVRQGOPB-CABCVRRESA-N 2 1 348.487 3.371 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n(C)n1 ZINC000284218587 455652974 /nfs/dbraw/zinc/65/29/74/455652974.db2.gz HDLBQSKTDJZKTL-HLAWJBBLSA-N 2 1 338.499 3.119 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Br)cc2)[C@@H](C)C1 ZINC000247951735 455659255 /nfs/dbraw/zinc/65/92/55/455659255.db2.gz FCPLYSUYVMTNFW-XJKSGUPXSA-N 2 1 325.294 3.312 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000248025858 455672138 /nfs/dbraw/zinc/67/21/38/455672138.db2.gz OZZGCGKUYLXBBK-VWKPWSFCSA-N 2 1 340.515 3.367 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000248025858 455672140 /nfs/dbraw/zinc/67/21/40/455672140.db2.gz OZZGCGKUYLXBBK-VWKPWSFCSA-N 2 1 340.515 3.367 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2cncc(Br)c2)C2CC2)CC[N@@H+]1C ZINC000284464286 455690345 /nfs/dbraw/zinc/69/03/45/455690345.db2.gz VIFBBJUTYFANLN-RLCCDNCMSA-N 2 1 338.293 3.368 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2cncc(Br)c2)C2CC2)CC[N@H+]1C ZINC000284464286 455690348 /nfs/dbraw/zinc/69/03/48/455690348.db2.gz VIFBBJUTYFANLN-RLCCDNCMSA-N 2 1 338.293 3.368 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2ccc(Cl)c(F)c2)CC1 ZINC000192781082 455691009 /nfs/dbraw/zinc/69/10/09/455691009.db2.gz RADLVGQVYTWAEP-UHFFFAOYSA-N 2 1 341.902 3.327 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)cc3cccnc32)CCCO1 ZINC000277905660 455703506 /nfs/dbraw/zinc/70/35/06/455703506.db2.gz PEOGWZDYAZMFNJ-OAHLLOKOSA-N 2 1 347.890 3.479 20 0 EGADMP C[C@@H]1C[C@H](NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000248550402 455720046 /nfs/dbraw/zinc/72/00/46/455720046.db2.gz HYAPXBDFQNUGCR-LKUPVBHCSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[C@H](NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)C[N@H+]1C1CC1 ZINC000248550402 455720047 /nfs/dbraw/zinc/72/00/47/455720047.db2.gz HYAPXBDFQNUGCR-LKUPVBHCSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[C@H](NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000248550402 455720049 /nfs/dbraw/zinc/72/00/49/455720049.db2.gz HYAPXBDFQNUGCR-LKUPVBHCSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[C@H](NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000248550402 455720051 /nfs/dbraw/zinc/72/00/51/455720051.db2.gz HYAPXBDFQNUGCR-LKUPVBHCSA-N 2 1 327.516 3.112 20 0 EGADMP COc1ccc(OC(F)F)c(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192951548 455724898 /nfs/dbraw/zinc/72/48/98/455724898.db2.gz LHMBIECEUQQZPV-AGUYFDCRSA-N 2 1 326.387 3.011 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000268905062 455725754 /nfs/dbraw/zinc/72/57/54/455725754.db2.gz XLGMUYPFOSHNBD-OAHLLOKOSA-N 2 1 326.444 3.059 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)[C@@H](C)C1 ZINC000248686296 455726563 /nfs/dbraw/zinc/72/65/63/455726563.db2.gz HFQOOHVQCHRMJQ-GUYCJALGSA-N 2 1 347.894 3.049 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)[C@@H](C)C1 ZINC000248686296 455726569 /nfs/dbraw/zinc/72/65/69/455726569.db2.gz HFQOOHVQCHRMJQ-GUYCJALGSA-N 2 1 347.894 3.049 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCN(C)CC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000268914729 455728011 /nfs/dbraw/zinc/72/80/11/455728011.db2.gz NMFQZPGFKKQMCQ-NVXWUHKLSA-N 2 1 343.437 3.123 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCN(C)CC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000268914729 455728014 /nfs/dbraw/zinc/72/80/14/455728014.db2.gz NMFQZPGFKKQMCQ-NVXWUHKLSA-N 2 1 343.437 3.123 20 0 EGADMP c1ccc(C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CC2)cc1 ZINC000268912135 455728253 /nfs/dbraw/zinc/72/82/53/455728253.db2.gz UCBHBOWAVBXKTD-HXUWFJFHSA-N 2 1 328.500 3.242 20 0 EGADMP CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC[C@H]3CCCC[N@@H+]3C)ccc2NC1=O ZINC000271714697 455730442 /nfs/dbraw/zinc/73/04/42/455730442.db2.gz KGIGNBRVXMYJKQ-LESCRADOSA-N 2 1 345.487 3.321 20 0 EGADMP CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC[C@H]3CCCC[N@H+]3C)ccc2NC1=O ZINC000271714697 455730447 /nfs/dbraw/zinc/73/04/47/455730447.db2.gz KGIGNBRVXMYJKQ-LESCRADOSA-N 2 1 345.487 3.321 20 0 EGADMP CC1(C)OCc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc2O1 ZINC000186348236 455749501 /nfs/dbraw/zinc/74/95/01/455749501.db2.gz CVQUXCQIKCWKIC-QGZVFWFLSA-N 2 1 330.472 3.249 20 0 EGADMP CC1(C)OCc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc2O1 ZINC000186348236 455749504 /nfs/dbraw/zinc/74/95/04/455749504.db2.gz CVQUXCQIKCWKIC-QGZVFWFLSA-N 2 1 330.472 3.249 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2([S@@](C)=O)CCC2)CC1 ZINC000284952687 455766434 /nfs/dbraw/zinc/76/64/34/455766434.db2.gz FFKJUKXEMASJOF-RGELYXPASA-N 2 1 348.556 3.320 20 0 EGADMP COC[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000285234261 455809390 /nfs/dbraw/zinc/80/93/90/455809390.db2.gz PKEOAXKWLUCPFG-VFUGHAIPSA-N 2 1 346.515 3.213 20 0 EGADMP COC[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000285234256 455809399 /nfs/dbraw/zinc/80/93/99/455809399.db2.gz PKEOAXKWLUCPFG-TZWRJOPASA-N 2 1 346.515 3.213 20 0 EGADMP CCOc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1F ZINC000278348262 455825430 /nfs/dbraw/zinc/82/54/30/455825430.db2.gz HQNHGHIQEGVLOG-UHFFFAOYSA-N 2 1 338.467 3.203 20 0 EGADMP COc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252840705 455830381 /nfs/dbraw/zinc/83/03/81/455830381.db2.gz BTHNFCYBDXLXQW-CQDKDKBSSA-N 2 1 339.277 3.017 20 0 EGADMP COc1ccc(Br)cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252840705 455830385 /nfs/dbraw/zinc/83/03/85/455830385.db2.gz BTHNFCYBDXLXQW-CQDKDKBSSA-N 2 1 339.277 3.017 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]CCCn2cc[nH+]c2C)c(C)c1OC ZINC000285503901 455859460 /nfs/dbraw/zinc/85/94/60/455859460.db2.gz AHHCQQMHRFTARR-AWEZNQCLSA-N 2 1 331.460 3.128 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000617001265 460697482 /nfs/dbraw/zinc/69/74/82/460697482.db2.gz LIGYQYGCKCUMKM-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000617001265 460697486 /nfs/dbraw/zinc/69/74/86/460697486.db2.gz LIGYQYGCKCUMKM-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000617001265 460697491 /nfs/dbraw/zinc/69/74/91/460697491.db2.gz LIGYQYGCKCUMKM-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CCC(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272271694 455898327 /nfs/dbraw/zinc/89/83/27/455898327.db2.gz BOGPRVJTUZIYGO-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272271694 455898333 /nfs/dbraw/zinc/89/83/33/455898333.db2.gz BOGPRVJTUZIYGO-UYAOXDASSA-N 3 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272271694 455898338 /nfs/dbraw/zinc/89/83/38/455898338.db2.gz BOGPRVJTUZIYGO-UYAOXDASSA-N 3 1 329.532 3.361 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cccc(O)c3)CC2)nc(C)[nH+]1 ZINC000194908832 455899009 /nfs/dbraw/zinc/89/90/09/455899009.db2.gz HLEDBNLHOTZZKU-CQSZACIVSA-N 2 1 326.444 3.119 20 0 EGADMP c1c[nH]c([C@@H]([NH2+]CCCCC[NH+]2CCCCC2)c2cccnc2)n1 ZINC000195034539 455915213 /nfs/dbraw/zinc/91/52/13/455915213.db2.gz SVQOYXWDDAQNET-SFHVURJKSA-N 2 1 327.476 3.140 20 0 EGADMP CCC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)CC1CC[NH2+]CC1 ZINC000261640461 455920317 /nfs/dbraw/zinc/92/03/17/455920317.db2.gz AGBKGBWCXMHSJS-UHFFFAOYSA-N 2 1 348.878 3.200 20 0 EGADMP Cc1ccc2c(c1)nc(CNCc1ccc(-n3ccnc3)cc1)n2C ZINC000187581401 455927404 /nfs/dbraw/zinc/92/74/04/455927404.db2.gz HQPGAERSYJEJHX-UHFFFAOYSA-N 2 1 331.423 3.357 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1OC(F)F ZINC000261708745 455932691 /nfs/dbraw/zinc/93/26/91/455932691.db2.gz KXZSDTZYUSUINI-GXTWGEPZSA-N 2 1 328.403 3.246 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(OC(F)F)cc2)C[C@H](C)O1 ZINC000195250534 455937523 /nfs/dbraw/zinc/93/75/23/455937523.db2.gz GTIFCXPLEMSPQN-GASCZTMLSA-N 2 1 342.430 3.267 20 0 EGADMP C[C@H](c1nc(C2(N)CCC2)no1)N1CCC(Cc2ccccc2)CC1 ZINC000261804144 455950771 /nfs/dbraw/zinc/95/07/71/455950771.db2.gz PHTOBCXJBVGBBK-OAHLLOKOSA-N 2 1 340.471 3.423 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261844315 455958597 /nfs/dbraw/zinc/95/85/97/455958597.db2.gz ZAGSAAHWNJOXIM-MRXNPFEDSA-N 2 1 335.879 3.051 20 0 EGADMP COCC1CCC([NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000296550479 455971000 /nfs/dbraw/zinc/97/10/00/455971000.db2.gz UKVRZYAJNHNOEX-XPQZIERPSA-N 2 1 346.515 3.202 20 0 EGADMP COCC1CCC([NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000296550479 455971003 /nfs/dbraw/zinc/97/10/03/455971003.db2.gz UKVRZYAJNHNOEX-XPQZIERPSA-N 2 1 346.515 3.202 20 0 EGADMP Cc1ccccc1[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000296615123 455988963 /nfs/dbraw/zinc/98/89/63/455988963.db2.gz ZLFPCOJLDHVYBO-FQEVSTJZSA-N 2 1 339.483 3.151 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262044707 455989977 /nfs/dbraw/zinc/98/99/77/455989977.db2.gz PPMULASAOGWPDU-NRFANRHFSA-N 2 1 338.499 3.355 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262044707 455989980 /nfs/dbraw/zinc/98/99/80/455989980.db2.gz PPMULASAOGWPDU-NRFANRHFSA-N 2 1 338.499 3.355 20 0 EGADMP COC(=O)CCC[N@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000270623439 455999027 /nfs/dbraw/zinc/99/90/27/455999027.db2.gz KHOGHOJPGKFILE-UHFFFAOYSA-N 2 1 329.444 3.037 20 0 EGADMP COC(=O)CCC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000270623439 455999032 /nfs/dbraw/zinc/99/90/32/455999032.db2.gz KHOGHOJPGKFILE-UHFFFAOYSA-N 2 1 329.444 3.037 20 0 EGADMP Fc1cc(Cl)ccc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000623756863 460706263 /nfs/dbraw/zinc/70/62/63/460706263.db2.gz IFCOJHQICUSHHH-PMPSAXMXSA-N 2 1 337.870 3.274 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262199599 456011205 /nfs/dbraw/zinc/01/12/05/456011205.db2.gz UVHZRNRBTCELFA-UXPWSPDFSA-N 2 1 343.515 3.064 20 0 EGADMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272668544 456033568 /nfs/dbraw/zinc/03/35/68/456033568.db2.gz OVGFCDFZZOJCOS-OYNPSCLESA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H](N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272668544 456033572 /nfs/dbraw/zinc/03/35/72/456033572.db2.gz OVGFCDFZZOJCOS-OYNPSCLESA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H](N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272668544 456033576 /nfs/dbraw/zinc/03/35/76/456033576.db2.gz OVGFCDFZZOJCOS-OYNPSCLESA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C[NH3+] ZINC000262449844 456036551 /nfs/dbraw/zinc/03/65/51/456036551.db2.gz HSFPDOUXNXQPSX-RYUDHWBXSA-N 2 1 344.286 3.239 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000270842219 456051608 /nfs/dbraw/zinc/05/16/08/456051608.db2.gz VTUIYPCHGYGMOJ-HRQSHJORSA-N 2 1 328.500 3.231 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000270842219 456051610 /nfs/dbraw/zinc/05/16/10/456051610.db2.gz VTUIYPCHGYGMOJ-HRQSHJORSA-N 2 1 328.500 3.231 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000270842219 456051614 /nfs/dbraw/zinc/05/16/14/456051614.db2.gz VTUIYPCHGYGMOJ-HRQSHJORSA-N 2 1 328.500 3.231 20 0 EGADMP CC(C)n1nccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000280890817 456073858 /nfs/dbraw/zinc/07/38/58/456073858.db2.gz NUXGSBAOKMNZAP-YLJYHZDGSA-N 2 1 326.488 3.464 20 0 EGADMP CC(C)n1nccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000280890817 456073859 /nfs/dbraw/zinc/07/38/59/456073859.db2.gz NUXGSBAOKMNZAP-YLJYHZDGSA-N 2 1 326.488 3.464 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@@H](O)c1c(F)cccc1F ZINC000272814598 456079031 /nfs/dbraw/zinc/07/90/31/456079031.db2.gz BGGBIQBTNZOAFB-SJLPKXTDSA-N 2 1 326.431 3.239 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000270969499 456081173 /nfs/dbraw/zinc/08/11/73/456081173.db2.gz CDMDZJOEKIKDHS-UHFFFAOYSA-N 2 1 326.448 3.039 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000270969499 456081176 /nfs/dbraw/zinc/08/11/76/456081176.db2.gz CDMDZJOEKIKDHS-UHFFFAOYSA-N 2 1 326.448 3.039 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)CC1 ZINC000271171322 456152504 /nfs/dbraw/zinc/15/25/04/456152504.db2.gz AGDFCVZUYYPTBV-ONEGZZNKSA-N 2 1 345.506 3.329 20 0 EGADMP CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000236726855 456175558 /nfs/dbraw/zinc/17/55/58/456175558.db2.gz JLYOIQDNLYQREA-HXUWFJFHSA-N 2 1 339.483 3.002 20 0 EGADMP CC[NH+](CC)Cc1cccc(NC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC000635254245 460722422 /nfs/dbraw/zinc/72/24/22/460722422.db2.gz RGRPFAXMXVERPY-UHFFFAOYSA-N 2 1 328.460 3.487 20 0 EGADMP Fc1cc(N2CC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)ccc1Cl ZINC000297359074 456198522 /nfs/dbraw/zinc/19/85/22/456198522.db2.gz FRFLGDUVUOAVMB-CQSZACIVSA-N 2 1 337.870 3.274 20 0 EGADMP Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(-c2cnn(C)c2)c1 ZINC000289969488 456201072 /nfs/dbraw/zinc/20/10/72/456201072.db2.gz ZHJQVLBFIWATPO-YOFSQIOKSA-N 2 1 338.499 3.453 20 0 EGADMP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(-c2cnn(C)c2)c1 ZINC000289969488 456201080 /nfs/dbraw/zinc/20/10/80/456201080.db2.gz ZHJQVLBFIWATPO-YOFSQIOKSA-N 2 1 338.499 3.453 20 0 EGADMP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(-c2cnn(C)c2)c1 ZINC000289969488 456201090 /nfs/dbraw/zinc/20/10/90/456201090.db2.gz ZHJQVLBFIWATPO-YOFSQIOKSA-N 2 1 338.499 3.453 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189185067 456248421 /nfs/dbraw/zinc/24/84/21/456248421.db2.gz OIBNLZUKTHQWRH-NJDAHSKKSA-N 2 1 330.516 3.224 20 0 EGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cccnc3Cl)CC2)C[C@@H](C)O1 ZINC000263920735 456265639 /nfs/dbraw/zinc/26/56/39/456265639.db2.gz UNCNALCCPDUHLG-HUUCEWRRSA-N 2 1 337.895 3.056 20 0 EGADMP COc1ncccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000290204593 456266557 /nfs/dbraw/zinc/26/65/57/456266557.db2.gz PJZIBBCKSXHDRD-FXAWDEMLSA-N 2 1 339.483 3.275 20 0 EGADMP COc1ncccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000290204593 456266561 /nfs/dbraw/zinc/26/65/61/456266561.db2.gz PJZIBBCKSXHDRD-FXAWDEMLSA-N 2 1 339.483 3.275 20 0 EGADMP CCc1c(C)[nH+]c2ccccc2c1N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000302023846 456271107 /nfs/dbraw/zinc/27/11/07/456271107.db2.gz GYJKEDANARTUAJ-HNNXBMFYSA-N 2 1 326.488 3.153 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1O ZINC000297666561 456273245 /nfs/dbraw/zinc/27/32/45/456273245.db2.gz JXXKVINLKRKSHE-FUHWJXTLSA-N 2 1 330.472 3.240 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1O ZINC000297666561 456273248 /nfs/dbraw/zinc/27/32/48/456273248.db2.gz JXXKVINLKRKSHE-FUHWJXTLSA-N 2 1 330.472 3.240 20 0 EGADMP CCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1O ZINC000297666561 456273252 /nfs/dbraw/zinc/27/32/52/456273252.db2.gz JXXKVINLKRKSHE-FUHWJXTLSA-N 2 1 330.472 3.240 20 0 EGADMP CCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1O ZINC000297666561 456273255 /nfs/dbraw/zinc/27/32/55/456273255.db2.gz JXXKVINLKRKSHE-FUHWJXTLSA-N 2 1 330.472 3.240 20 0 EGADMP COc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000281612148 456275066 /nfs/dbraw/zinc/27/50/66/456275066.db2.gz KSBZBKXCMSQFIQ-KRWDZBQOSA-N 2 1 342.487 3.091 20 0 EGADMP COc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000281612148 456275068 /nfs/dbraw/zinc/27/50/68/456275068.db2.gz KSBZBKXCMSQFIQ-KRWDZBQOSA-N 2 1 342.487 3.091 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H](CC[NH3+])C2)cc1)C(C)C ZINC000281618053 456276823 /nfs/dbraw/zinc/27/68/23/456276823.db2.gz BVOQPGDTCIBVCX-QGZVFWFLSA-N 2 1 331.504 3.118 20 0 EGADMP COc1ccc(C(C)(C)C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352763818 456285033 /nfs/dbraw/zinc/28/50/33/456285033.db2.gz HPTNZNXIPGCTRJ-UHFFFAOYSA-N 2 1 333.501 3.281 20 0 EGADMP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340171433 456286988 /nfs/dbraw/zinc/28/69/88/456286988.db2.gz DTTDWEVGGBAWSG-ICSRJNTNSA-N 2 1 326.488 3.005 20 0 EGADMP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340171433 456286992 /nfs/dbraw/zinc/28/69/92/456286992.db2.gz DTTDWEVGGBAWSG-ICSRJNTNSA-N 2 1 326.488 3.005 20 0 EGADMP Cc1ccc(NCc2ncc(C[NH+](C)C)s2)c(OCC[NH+](C)C)c1 ZINC000352764427 456287733 /nfs/dbraw/zinc/28/77/33/456287733.db2.gz DXEYDGUKOSLINN-UHFFFAOYSA-N 2 1 348.516 3.066 20 0 EGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275712082 456292848 /nfs/dbraw/zinc/29/28/48/456292848.db2.gz UQZAIJZHWBLRDN-SFHVURJKSA-N 2 1 346.519 3.129 20 0 EGADMP Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352772517 456293555 /nfs/dbraw/zinc/29/35/55/456293555.db2.gz QSVWRTUBSZVDKA-UHFFFAOYSA-N 2 1 328.485 3.327 20 0 EGADMP CN(C)[C@H](CN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccco1 ZINC000340178937 456295032 /nfs/dbraw/zinc/29/50/32/456295032.db2.gz SRSQAOYYPUFDDK-GBESFXJTSA-N 2 1 327.472 3.307 20 0 EGADMP CN(C)[C@H](CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccco1 ZINC000340178937 456295035 /nfs/dbraw/zinc/29/50/35/456295035.db2.gz SRSQAOYYPUFDDK-GBESFXJTSA-N 2 1 327.472 3.307 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000352777004 456296904 /nfs/dbraw/zinc/29/69/04/456296904.db2.gz FPQNBZDMKDWSOY-JENIJYKNSA-N 2 1 348.535 3.016 20 0 EGADMP C[N@H+]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340190869 456302000 /nfs/dbraw/zinc/30/20/00/456302000.db2.gz IVLSKAJOSAJTHK-SFTDATJTSA-N 2 1 327.516 3.286 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC(OC(C)(C)C)C2)[C@@H](C)C1 ZINC000352782330 456302054 /nfs/dbraw/zinc/30/20/54/456302054.db2.gz HFWWVZVMNXYTTA-BFWZDYSYSA-N 2 1 326.525 3.059 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000297938687 456327510 /nfs/dbraw/zinc/32/75/10/456327510.db2.gz YBIIZTPSSGLHLL-MRXNPFEDSA-N 2 1 337.895 3.203 20 0 EGADMP CC[NH+](CC)CCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352818289 456334727 /nfs/dbraw/zinc/33/47/27/456334727.db2.gz UGSPZLGKLXFORO-OAQYLSRUSA-N 2 1 329.532 3.316 20 0 EGADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340244560 456337316 /nfs/dbraw/zinc/33/73/16/456337316.db2.gz KAOGFLVWWJROJG-FUMNGEBKSA-N 2 1 343.515 3.059 20 0 EGADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340244560 456337324 /nfs/dbraw/zinc/33/73/24/456337324.db2.gz KAOGFLVWWJROJG-FUMNGEBKSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)nc2)CC1 ZINC000290634484 456390324 /nfs/dbraw/zinc/39/03/24/456390324.db2.gz JDYCSCHSOPSTIU-GFCCVEGCSA-N 2 1 326.282 3.368 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)n1cncn1 ZINC000290703770 456409356 /nfs/dbraw/zinc/40/93/56/456409356.db2.gz NMXFFPPSTZJMSG-ZIFCJYIRSA-N 2 1 341.503 3.044 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)n1cncn1 ZINC000290703770 456409363 /nfs/dbraw/zinc/40/93/63/456409363.db2.gz NMXFFPPSTZJMSG-ZIFCJYIRSA-N 2 1 341.503 3.044 20 0 EGADMP FC(F)(F)COCc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298275470 456412766 /nfs/dbraw/zinc/41/27/66/456412766.db2.gz GQQYGDYOAOQMCW-UHFFFAOYSA-N 2 1 342.405 3.482 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[C@@H]1c1ccccc1 ZINC000340371661 456419031 /nfs/dbraw/zinc/41/90/31/456419031.db2.gz DQFKZPCKMHZYJZ-RBUKOAKNSA-N 2 1 328.500 3.354 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[C@@H]1c1ccccc1 ZINC000340371661 456419038 /nfs/dbraw/zinc/41/90/38/456419038.db2.gz DQFKZPCKMHZYJZ-RBUKOAKNSA-N 2 1 328.500 3.354 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[C@H]1c1ccccc1 ZINC000340371658 456420185 /nfs/dbraw/zinc/42/01/85/456420185.db2.gz DQFKZPCKMHZYJZ-MOPGFXCFSA-N 2 1 328.500 3.354 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)C[C@H]1c1ccccc1 ZINC000340371658 456420189 /nfs/dbraw/zinc/42/01/89/456420189.db2.gz DQFKZPCKMHZYJZ-MOPGFXCFSA-N 2 1 328.500 3.354 20 0 EGADMP c1ccc(OCc2ccncc2)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000340413991 456447301 /nfs/dbraw/zinc/44/73/01/456447301.db2.gz FGMIQYZJWYPBIR-SFHVURJKSA-N 2 1 337.467 3.235 20 0 EGADMP c1ccc(OCc2ccncc2)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000340413991 456447306 /nfs/dbraw/zinc/44/73/06/456447306.db2.gz FGMIQYZJWYPBIR-SFHVURJKSA-N 2 1 337.467 3.235 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1nccc2ccccc21 ZINC000290849452 456447501 /nfs/dbraw/zinc/44/75/01/456447501.db2.gz ZIVFCMKMOOGPRQ-RYGJVYDSSA-N 2 1 339.483 3.263 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282339292 456483264 /nfs/dbraw/zinc/48/32/64/456483264.db2.gz VTYUSQMUOJPWLD-HNNXBMFYSA-N 2 1 332.517 3.359 20 0 EGADMP COc1c(C)c[nH+]c(CN2CC[NH+](CC3CCCCC3)CC2)c1C ZINC000303195849 456451044 /nfs/dbraw/zinc/45/10/44/456451044.db2.gz NMUWYYLVQATQJR-UHFFFAOYSA-N 2 1 331.504 3.405 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000303514337 456464752 /nfs/dbraw/zinc/46/47/52/456464752.db2.gz DGDCNNABTATLSF-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)[C@@H]1SC ZINC000298475404 456467790 /nfs/dbraw/zinc/46/77/90/456467790.db2.gz PCNJYLDWZZESNE-AQNXPRMDSA-N 2 1 348.556 3.458 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCN2CC=CCC2)CC1 ZINC000340511368 456501630 /nfs/dbraw/zinc/50/16/30/456501630.db2.gz QPHFEMFHDHZADO-UHFFFAOYSA-N 2 1 327.516 3.281 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000282407020 456503359 /nfs/dbraw/zinc/50/33/59/456503359.db2.gz RZIKJUAHNMVGOW-UYJHFMRCSA-N 2 1 338.442 3.167 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000353123433 456505684 /nfs/dbraw/zinc/50/56/84/456505684.db2.gz IHCXNDZHFAFVML-LJQANCHMSA-N 2 1 326.488 3.360 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000353123433 456505689 /nfs/dbraw/zinc/50/56/89/456505689.db2.gz IHCXNDZHFAFVML-LJQANCHMSA-N 2 1 326.488 3.360 20 0 EGADMP C[C@@H](CO)C1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000651957148 462391528 /nfs/dbraw/zinc/39/15/28/462391528.db2.gz PBHPVMNMERZOIL-SFHVURJKSA-N 2 1 332.532 3.485 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NCc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000353220168 456568324 /nfs/dbraw/zinc/56/83/24/456568324.db2.gz CHBJCMKFXLCNSG-OAHLLOKOSA-N 2 1 338.565 3.120 20 0 EGADMP CCCC[NH+](C)C[C@@H](C)NCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000353220168 456568330 /nfs/dbraw/zinc/56/83/30/456568330.db2.gz CHBJCMKFXLCNSG-OAHLLOKOSA-N 2 1 338.565 3.120 20 0 EGADMP CCCC[NH+](C)C[C@@H](C)NCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000353220168 456568335 /nfs/dbraw/zinc/56/83/35/456568335.db2.gz CHBJCMKFXLCNSG-OAHLLOKOSA-N 2 1 338.565 3.120 20 0 EGADMP CC[N@@H+]1CCC[C@@H](CN(C)c2cc(C)cc[nH+]2)[C@@H]1c1cnn(C)c1 ZINC000337867770 456576690 /nfs/dbraw/zinc/57/66/90/456576690.db2.gz LTJBEWFGQUHKDP-QFBILLFUSA-N 2 1 327.476 3.033 20 0 EGADMP CC[N@H+]1CCC[C@@H](CN(C)c2cc(C)cc[nH+]2)[C@@H]1c1cnn(C)c1 ZINC000337867770 456576698 /nfs/dbraw/zinc/57/66/98/456576698.db2.gz LTJBEWFGQUHKDP-QFBILLFUSA-N 2 1 327.476 3.033 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291247662 456578298 /nfs/dbraw/zinc/57/82/98/456578298.db2.gz VQWKLIBGMJLSPE-WMLDXEAASA-N 2 1 344.421 3.403 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291247662 456578304 /nfs/dbraw/zinc/57/83/04/456578304.db2.gz VQWKLIBGMJLSPE-WMLDXEAASA-N 2 1 344.421 3.403 20 0 EGADMP CO[C@@](C)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1 ZINC000291264807 456584630 /nfs/dbraw/zinc/58/46/30/456584630.db2.gz QHVGJIKLPXHLKS-FQEVSTJZSA-N 2 1 334.479 3.237 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000291267625 456586104 /nfs/dbraw/zinc/58/61/04/456586104.db2.gz XPZDYRIYUJSZRW-JKSUJKDBSA-N 2 1 330.394 3.155 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000291267625 456586107 /nfs/dbraw/zinc/58/61/07/456586107.db2.gz XPZDYRIYUJSZRW-JKSUJKDBSA-N 2 1 330.394 3.155 20 0 EGADMP CCC[C@@H]1CN(CCn2cc[nH+]c2C)CC[N@@H+]1Cc1ccccc1 ZINC000343394597 456589642 /nfs/dbraw/zinc/58/96/42/456589642.db2.gz CSGQTIKOBYACTB-HXUWFJFHSA-N 2 1 326.488 3.178 20 0 EGADMP CCC[C@@H]1CN(CCn2cc[nH+]c2C)CC[N@H+]1Cc1ccccc1 ZINC000343394597 456589648 /nfs/dbraw/zinc/58/96/48/456589648.db2.gz CSGQTIKOBYACTB-HXUWFJFHSA-N 2 1 326.488 3.178 20 0 EGADMP CCOc1cc(C[N@H+](C)CCn2cc[nH+]c2C)ccc1OC(F)F ZINC000299065990 456596821 /nfs/dbraw/zinc/59/68/21/456596821.db2.gz UWEWTLOCFVAHOD-UHFFFAOYSA-N 2 1 339.386 3.324 20 0 EGADMP CCOc1cc(C[N@@H+](C)CCn2cc[nH+]c2C)ccc1OC(F)F ZINC000299065990 456596825 /nfs/dbraw/zinc/59/68/25/456596825.db2.gz UWEWTLOCFVAHOD-UHFFFAOYSA-N 2 1 339.386 3.324 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCC[NH+](C)[C@H]2C)cc1)C(C)C ZINC000343455458 456632707 /nfs/dbraw/zinc/63/27/07/456632707.db2.gz PXVRQQCXAGYEHI-LPHOPBHVSA-N 2 1 331.504 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc1)C(C)C ZINC000343455458 456632712 /nfs/dbraw/zinc/63/27/12/456632712.db2.gz PXVRQQCXAGYEHI-LPHOPBHVSA-N 2 1 331.504 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc1)C(C)C ZINC000343455458 456632718 /nfs/dbraw/zinc/63/27/18/456632718.db2.gz PXVRQQCXAGYEHI-LPHOPBHVSA-N 2 1 331.504 3.129 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000282891125 456656475 /nfs/dbraw/zinc/65/64/75/456656475.db2.gz XXBJFHUCFOWSSU-KRWDZBQOSA-N 2 1 326.488 3.169 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000282891125 456656477 /nfs/dbraw/zinc/65/64/77/456656477.db2.gz XXBJFHUCFOWSSU-KRWDZBQOSA-N 2 1 326.488 3.169 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000282891125 456656478 /nfs/dbraw/zinc/65/64/78/456656478.db2.gz XXBJFHUCFOWSSU-KRWDZBQOSA-N 2 1 326.488 3.169 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(=O)NC)c1 ZINC000348407884 456671344 /nfs/dbraw/zinc/67/13/44/456671344.db2.gz WXBSKZLVNNZGSA-RTBURBONSA-N 2 1 331.504 3.036 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000353476985 456701065 /nfs/dbraw/zinc/70/10/65/456701065.db2.gz ZXPDEOYHDUGOJH-VDGAXYAQSA-N 2 1 343.515 3.065 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000353490433 456710886 /nfs/dbraw/zinc/71/08/86/456710886.db2.gz QQECYHOEHPRFEO-CRAIPNDOSA-N 2 1 332.467 3.359 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000343582671 456724249 /nfs/dbraw/zinc/72/42/49/456724249.db2.gz ZQEGFRZFUNEGJF-FQEVSTJZSA-N 2 1 343.515 3.277 20 0 EGADMP Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277212347 456726275 /nfs/dbraw/zinc/72/62/75/456726275.db2.gz NJUZTXSVTIJGBZ-GOSISDBHSA-N 2 1 331.504 3.438 20 0 EGADMP CC(C)Cc1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000353516738 456729658 /nfs/dbraw/zinc/72/96/58/456729658.db2.gz JMCDGQGZGBQNTG-XLIONFOSSA-N 2 1 345.531 3.123 20 0 EGADMP CCC[N@H+](CC)Cc1ccc(C(=O)NCCCn2cc[nH+]c2C)cc1 ZINC000299641820 456751603 /nfs/dbraw/zinc/75/16/03/456751603.db2.gz IXVKFCSUFHPVGD-UHFFFAOYSA-N 2 1 342.487 3.244 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCCn2cc[nH+]c2C)cc1 ZINC000299641820 456751612 /nfs/dbraw/zinc/75/16/12/456751612.db2.gz IXVKFCSUFHPVGD-UHFFFAOYSA-N 2 1 342.487 3.244 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000343643885 456762773 /nfs/dbraw/zinc/76/27/73/456762773.db2.gz APEVGLSAVUEXQL-WTNAPCKOSA-N 2 1 336.479 3.462 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000343643885 456762777 /nfs/dbraw/zinc/76/27/77/456762777.db2.gz APEVGLSAVUEXQL-WTNAPCKOSA-N 2 1 336.479 3.462 20 0 EGADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000348764387 456846775 /nfs/dbraw/zinc/84/67/75/456846775.db2.gz PXLXIQHLMLPLLZ-FQEVSTJZSA-N 2 1 343.515 3.085 20 0 EGADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000353676339 456848144 /nfs/dbraw/zinc/84/81/44/456848144.db2.gz XIEQUVNVLMTISX-RGCMJDONSA-N 3 1 341.543 3.359 20 0 EGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC=C(c2ccncc2)C1 ZINC000348830841 456874842 /nfs/dbraw/zinc/87/48/42/456874842.db2.gz FIIKAHKQVVFUEK-UHFFFAOYSA-N 2 1 331.423 3.260 20 0 EGADMP CCCC[C@@H]([NH3+])C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000353730135 456875908 /nfs/dbraw/zinc/87/59/08/456875908.db2.gz QBSZRFREICYVNL-LJQANCHMSA-N 2 1 343.515 3.019 20 0 EGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H](C)C(C)C)CC1 ZINC000338974185 456883871 /nfs/dbraw/zinc/88/38/71/456883871.db2.gz NTBJYYSDYIJRLV-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1[nH+]cnc2[nH]ccc21 ZINC000339135727 456958172 /nfs/dbraw/zinc/95/81/72/456958172.db2.gz JZZXIOHCUZESBU-OAHLLOKOSA-N 2 1 335.455 3.366 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1[nH+]cnc2[nH]ccc21 ZINC000339135727 456958175 /nfs/dbraw/zinc/95/81/75/456958175.db2.gz JZZXIOHCUZESBU-OAHLLOKOSA-N 2 1 335.455 3.366 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3[nH+]cnc4[nH]ccc43)cc2)C1 ZINC000339138920 456959897 /nfs/dbraw/zinc/95/98/97/456959897.db2.gz RBBVZDHWFYBOSU-IYBDPMFKSA-N 2 1 349.482 3.470 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3[nH+]cnc4[nH]ccc43)cc2)C1 ZINC000339138920 456959901 /nfs/dbraw/zinc/95/99/01/456959901.db2.gz RBBVZDHWFYBOSU-IYBDPMFKSA-N 2 1 349.482 3.470 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2c[nH]c(C(=O)OC)c2)CC1)CC(C)C ZINC000349411429 456964393 /nfs/dbraw/zinc/96/43/93/456964393.db2.gz WYVWPZNFVQTUKD-UHFFFAOYSA-N 2 1 349.519 3.381 20 0 EGADMP COC[C@H]([NH2+]CCn1cc[nH+]c1C)c1cccc(C(F)(F)F)c1 ZINC000341838898 456966627 /nfs/dbraw/zinc/96/66/27/456966627.db2.gz INNSGNXUHPWOAN-HNNXBMFYSA-N 2 1 327.350 3.188 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1CCOCC1 ZINC000353946873 456975845 /nfs/dbraw/zinc/97/58/45/456975845.db2.gz WPQQKGOQQCUPJA-FGTMMUONSA-N 2 1 346.515 3.201 20 0 EGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000354034308 457023666 /nfs/dbraw/zinc/02/36/66/457023666.db2.gz QGFQHPZUGOARID-UHFFFAOYSA-N 2 1 326.431 3.288 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1)c1ccccc1 ZINC000341991006 457045577 /nfs/dbraw/zinc/04/55/77/457045577.db2.gz ZEOAPWQBRYUBLG-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1)c1ccccc1 ZINC000341991006 457045582 /nfs/dbraw/zinc/04/55/82/457045582.db2.gz ZEOAPWQBRYUBLG-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000341991006 457045589 /nfs/dbraw/zinc/04/55/89/457045589.db2.gz ZEOAPWQBRYUBLG-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000341991006 457045592 /nfs/dbraw/zinc/04/55/92/457045592.db2.gz ZEOAPWQBRYUBLG-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ncc(C)s2)[C@H](C)C1 ZINC000349834203 457070576 /nfs/dbraw/zinc/07/05/76/457070576.db2.gz MSJBCKHMGRGJMK-INMHGKMJSA-N 2 1 339.549 3.282 20 0 EGADMP CC(C)C[C@@H]([NH3+])c1noc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000339397644 457093445 /nfs/dbraw/zinc/09/34/45/457093445.db2.gz RUFKEYQSNIZPDY-DLBZAZTESA-N 2 1 328.460 3.495 20 0 EGADMP COc1cccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cs2)c1 ZINC000342081639 457097568 /nfs/dbraw/zinc/09/75/68/457097568.db2.gz HJUDIFQFASQVDM-BMGDILEWSA-N 2 1 343.496 3.378 20 0 EGADMP COc1cccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cs2)c1 ZINC000342081639 457097576 /nfs/dbraw/zinc/09/75/76/457097576.db2.gz HJUDIFQFASQVDM-BMGDILEWSA-N 2 1 343.496 3.378 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3OCC(F)(F)F)C[C@@H]21 ZINC000342090352 457102003 /nfs/dbraw/zinc/10/20/03/457102003.db2.gz TUMBYETWAOENIH-AEGPPILISA-N 2 1 328.378 3.187 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346693545 457114309 /nfs/dbraw/zinc/11/43/09/457114309.db2.gz NTOQSHHJXPAMFX-FQEVSTJZSA-N 2 1 328.504 3.353 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346693545 457114316 /nfs/dbraw/zinc/11/43/16/457114316.db2.gz NTOQSHHJXPAMFX-FQEVSTJZSA-N 2 1 328.504 3.353 20 0 EGADMP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000354182521 457116384 /nfs/dbraw/zinc/11/63/84/457116384.db2.gz QSWSDBVPAOGILR-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000354182521 457116392 /nfs/dbraw/zinc/11/63/92/457116392.db2.gz QSWSDBVPAOGILR-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000354182521 457116398 /nfs/dbraw/zinc/11/63/98/457116398.db2.gz QSWSDBVPAOGILR-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000354182521 457116406 /nfs/dbraw/zinc/11/64/06/457116406.db2.gz QSWSDBVPAOGILR-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)c1 ZINC000362931101 457161472 /nfs/dbraw/zinc/16/14/72/457161472.db2.gz PJZMJTGXRIBOGO-PXNSSMCTSA-N 2 1 345.531 3.123 20 0 EGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000362931101 457161477 /nfs/dbraw/zinc/16/14/77/457161477.db2.gz PJZMJTGXRIBOGO-PXNSSMCTSA-N 2 1 345.531 3.123 20 0 EGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000362931101 457161482 /nfs/dbraw/zinc/16/14/82/457161482.db2.gz PJZMJTGXRIBOGO-PXNSSMCTSA-N 2 1 345.531 3.123 20 0 EGADMP C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)cn1 ZINC000359972964 457179898 /nfs/dbraw/zinc/17/98/98/457179898.db2.gz ZKHIXQSNWOPBRP-RDTXWAMCSA-N 2 1 345.874 3.152 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)cn1 ZINC000359972964 457179909 /nfs/dbraw/zinc/17/99/09/457179909.db2.gz ZKHIXQSNWOPBRP-RDTXWAMCSA-N 2 1 345.874 3.152 20 0 EGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000360041296 457219632 /nfs/dbraw/zinc/21/96/32/457219632.db2.gz PDWMYNABVSVUJZ-RYQLBKOJSA-N 2 1 329.488 3.237 20 0 EGADMP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000357021208 457281559 /nfs/dbraw/zinc/28/15/59/457281559.db2.gz YRYLRBUUZPXAIK-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[C@H](C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000354668402 457307159 /nfs/dbraw/zinc/30/71/59/457307159.db2.gz VKLQEJULOYRBQW-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)N2CCC[C@@H]2C)CC1)CC1CC1 ZINC000357091089 457317038 /nfs/dbraw/zinc/31/70/38/457317038.db2.gz WDTYSHHGHIKKOW-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+]1CCCCC1 ZINC000354811368 457320919 /nfs/dbraw/zinc/32/09/19/457320919.db2.gz MJTUXCHMLZXOBE-ZGXWSNOMSA-N 2 1 349.563 3.361 20 0 EGADMP C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)C1CCCC1 ZINC000342478478 457326453 /nfs/dbraw/zinc/32/64/53/457326453.db2.gz SDRWXRCMDODWQX-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CCCC1 ZINC000342478478 457326459 /nfs/dbraw/zinc/32/64/59/457326459.db2.gz SDRWXRCMDODWQX-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CCCC1 ZINC000342478478 457326467 /nfs/dbraw/zinc/32/64/67/457326467.db2.gz SDRWXRCMDODWQX-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC[C@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000352432519 457362196 /nfs/dbraw/zinc/36/21/96/457362196.db2.gz QPIOQRMYCMBURG-QHAWAJNXSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC[C@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000352432519 457362200 /nfs/dbraw/zinc/36/22/00/457362200.db2.gz QPIOQRMYCMBURG-QHAWAJNXSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC[C@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000352432519 457362206 /nfs/dbraw/zinc/36/22/06/457362206.db2.gz QPIOQRMYCMBURG-QHAWAJNXSA-N 2 1 328.500 3.400 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347344513 457365179 /nfs/dbraw/zinc/36/51/79/457365179.db2.gz PFIDXAOBQKSDKS-MSOLQXFVSA-N 2 1 345.512 3.472 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347344513 457365182 /nfs/dbraw/zinc/36/51/82/457365182.db2.gz PFIDXAOBQKSDKS-MSOLQXFVSA-N 2 1 345.512 3.472 20 0 EGADMP Cc1cccc(NCC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000357227906 457385829 /nfs/dbraw/zinc/38/58/29/457385829.db2.gz GWZLATFYYZHGQG-ICSRJNTNSA-N 2 1 338.499 3.302 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)C(C)C ZINC000347377412 457387741 /nfs/dbraw/zinc/38/77/41/457387741.db2.gz APONBZSDWDEROJ-GOSISDBHSA-N 2 1 345.531 3.058 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)C(C)C ZINC000347377412 457387745 /nfs/dbraw/zinc/38/77/45/457387745.db2.gz APONBZSDWDEROJ-GOSISDBHSA-N 2 1 345.531 3.058 20 0 EGADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000357238027 457393087 /nfs/dbraw/zinc/39/30/87/457393087.db2.gz PCENHVGGAITXQL-AWEZNQCLSA-N 2 1 341.484 3.326 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352478091 457398761 /nfs/dbraw/zinc/39/87/61/457398761.db2.gz RYGKPGWMMPBFTA-YOEHRIQHSA-N 2 1 337.895 3.063 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352478091 457398767 /nfs/dbraw/zinc/39/87/67/457398767.db2.gz RYGKPGWMMPBFTA-YOEHRIQHSA-N 2 1 337.895 3.063 20 0 EGADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000352488820 457408973 /nfs/dbraw/zinc/40/89/73/457408973.db2.gz VBFNDRQBMKOFCN-CYBMUJFWSA-N 2 1 327.831 3.011 20 0 EGADMP CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000347474866 457452393 /nfs/dbraw/zinc/45/23/93/457452393.db2.gz LEOCEMQTTOCTFP-QFBILLFUSA-N 2 1 331.504 3.052 20 0 EGADMP CO[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)C1CC1 ZINC000425418432 457544466 /nfs/dbraw/zinc/54/44/66/457544466.db2.gz IPIHUOIXFPJRJT-SFTDATJTSA-N 2 1 328.500 3.400 20 0 EGADMP CO[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000425418432 457544472 /nfs/dbraw/zinc/54/44/72/457544472.db2.gz IPIHUOIXFPJRJT-SFTDATJTSA-N 2 1 328.500 3.400 20 0 EGADMP CO[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000425418432 457544479 /nfs/dbraw/zinc/54/44/79/457544479.db2.gz IPIHUOIXFPJRJT-SFTDATJTSA-N 2 1 328.500 3.400 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000342861627 457563019 /nfs/dbraw/zinc/56/30/19/457563019.db2.gz YJDPWWYFJGHLOJ-UHFFFAOYSA-N 2 1 346.450 3.460 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000342861627 457563024 /nfs/dbraw/zinc/56/30/24/457563024.db2.gz YJDPWWYFJGHLOJ-UHFFFAOYSA-N 2 1 346.450 3.460 20 0 EGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H]3CC=CCC3)CC2)CC1 ZINC000374282639 457567260 /nfs/dbraw/zinc/56/72/60/457567260.db2.gz GDNLNONAXRRUQD-HXUWFJFHSA-N 2 1 333.564 3.471 20 0 EGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CC=CCC1 ZINC000374282639 457567266 /nfs/dbraw/zinc/56/72/66/457567266.db2.gz GDNLNONAXRRUQD-HXUWFJFHSA-N 3 1 333.564 3.471 20 0 EGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CC=CCC1 ZINC000374282639 457567275 /nfs/dbraw/zinc/56/72/75/457567275.db2.gz GDNLNONAXRRUQD-HXUWFJFHSA-N 3 1 333.564 3.471 20 0 EGADMP C[NH+](C)Cc1cnc(CNC(C)(C)CC[NH+]2CCCCCC2)s1 ZINC000352736031 457568864 /nfs/dbraw/zinc/56/88/64/457568864.db2.gz JVWFFPXMGMQCIK-UHFFFAOYSA-N 2 1 338.565 3.339 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1(CC)CC ZINC000352749273 457580036 /nfs/dbraw/zinc/58/00/36/457580036.db2.gz LUTDNLOQVVJIGF-LSDHHAIUSA-N 2 1 325.522 3.278 20 0 EGADMP Cn1cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(C(F)F)n1 ZINC000361123303 457596547 /nfs/dbraw/zinc/59/65/47/457596547.db2.gz OFXMUTVZINYXTJ-UHFFFAOYSA-N 2 1 349.429 3.101 20 0 EGADMP CC(C)Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000361162490 457622450 /nfs/dbraw/zinc/62/24/50/457622450.db2.gz CGSNNUPPDFWRCH-PXNSSMCTSA-N 2 1 345.531 3.123 20 0 EGADMP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361173111 457628312 /nfs/dbraw/zinc/62/83/12/457628312.db2.gz AHXIBOVJOGWHPQ-UYAOXDASSA-N 2 1 345.531 3.259 20 0 EGADMP C(CC12CC3CC(CC(C3)C1)C2)[NH+]1CCN(CC2CC[NH2+]CC2)CC1 ZINC000410087367 457628482 /nfs/dbraw/zinc/62/84/82/457628482.db2.gz IBDOZISYWTUMJR-UHFFFAOYSA-N 2 1 345.575 3.210 20 0 EGADMP COCC1(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCC1 ZINC000361378452 457711918 /nfs/dbraw/zinc/71/19/18/457711918.db2.gz RATROQVLCAYSHS-FQEVSTJZSA-N 2 1 328.500 3.401 20 0 EGADMP COCC1(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000361378452 457711921 /nfs/dbraw/zinc/71/19/21/457711921.db2.gz RATROQVLCAYSHS-FQEVSTJZSA-N 2 1 328.500 3.401 20 0 EGADMP COCC1(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000361378452 457711924 /nfs/dbraw/zinc/71/19/24/457711924.db2.gz RATROQVLCAYSHS-FQEVSTJZSA-N 2 1 328.500 3.401 20 0 EGADMP C[N@H+]1CCC[C@H](N2CC[NH+](CC3CCC(C(F)(F)F)CC3)CC2)C1 ZINC000365047681 457725112 /nfs/dbraw/zinc/72/51/12/457725112.db2.gz XURNUMWUJMVECY-JCYILVPMSA-N 2 1 347.469 3.067 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2ccnn2C)c1 ZINC000374898594 457729375 /nfs/dbraw/zinc/72/93/75/457729375.db2.gz RPPPQFPOHMKSJF-GOSISDBHSA-N 2 1 338.499 3.313 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCOCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000358089762 457780552 /nfs/dbraw/zinc/78/05/52/457780552.db2.gz SEMIWVBRLHSBNI-GOEBONIOSA-N 2 1 330.394 3.208 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCOCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000358089762 457780558 /nfs/dbraw/zinc/78/05/58/457780558.db2.gz SEMIWVBRLHSBNI-GOEBONIOSA-N 2 1 330.394 3.208 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCOCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000358089764 457780640 /nfs/dbraw/zinc/78/06/40/457780640.db2.gz SEMIWVBRLHSBNI-HOCLYGCPSA-N 2 1 330.394 3.208 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCOCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000358089764 457780648 /nfs/dbraw/zinc/78/06/48/457780648.db2.gz SEMIWVBRLHSBNI-HOCLYGCPSA-N 2 1 330.394 3.208 20 0 EGADMP COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443600037 457785767 /nfs/dbraw/zinc/78/57/67/457785767.db2.gz KVVUMPPCWVGBLH-HXUWFJFHSA-N 2 1 344.499 3.489 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000375170627 457819266 /nfs/dbraw/zinc/81/92/66/457819266.db2.gz HUUXEIRRZZRMAJ-HXUWFJFHSA-N 2 1 343.515 3.203 20 0 EGADMP OC1(CC[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CCC1 ZINC000411311835 457856915 /nfs/dbraw/zinc/85/69/15/457856915.db2.gz YAYILIFSOVBQJN-HXUWFJFHSA-N 2 1 328.500 3.280 20 0 EGADMP OC1(CC[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCC1 ZINC000411311835 457856917 /nfs/dbraw/zinc/85/69/17/457856917.db2.gz YAYILIFSOVBQJN-HXUWFJFHSA-N 2 1 328.500 3.280 20 0 EGADMP OC1(CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000411311835 457856922 /nfs/dbraw/zinc/85/69/22/457856922.db2.gz YAYILIFSOVBQJN-HXUWFJFHSA-N 2 1 328.500 3.280 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc([C@H]4C[C@H]4C)o3)C2)CC1 ZINC000371333652 457872970 /nfs/dbraw/zinc/87/29/70/457872970.db2.gz FBCDZAWOFYAZLS-AOIWGVFYSA-N 2 1 331.504 3.003 20 0 EGADMP CCC[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000358252241 457888666 /nfs/dbraw/zinc/88/86/66/457888666.db2.gz LNPHERHEFGRVJK-CVEARBPZSA-N 2 1 331.287 3.491 20 0 EGADMP CCC[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(Cl)cc1Cl ZINC000358252241 457888674 /nfs/dbraw/zinc/88/86/74/457888674.db2.gz LNPHERHEFGRVJK-CVEARBPZSA-N 2 1 331.287 3.491 20 0 EGADMP COc1ccccc1-c1ccc([C@@H](C)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358254463 457891498 /nfs/dbraw/zinc/89/14/98/457891498.db2.gz PRGLARGTVCUQMJ-IIBYNOLFSA-N 2 1 340.467 3.079 20 0 EGADMP COc1ccccc1-c1ccc([C@@H](C)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358254463 457891501 /nfs/dbraw/zinc/89/15/01/457891501.db2.gz PRGLARGTVCUQMJ-IIBYNOLFSA-N 2 1 340.467 3.079 20 0 EGADMP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358254463 457891505 /nfs/dbraw/zinc/89/15/05/457891505.db2.gz PRGLARGTVCUQMJ-IIBYNOLFSA-N 2 1 340.467 3.079 20 0 EGADMP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358254463 457891509 /nfs/dbraw/zinc/89/15/09/457891509.db2.gz PRGLARGTVCUQMJ-IIBYNOLFSA-N 2 1 340.467 3.079 20 0 EGADMP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000361885109 457929056 /nfs/dbraw/zinc/92/90/56/457929056.db2.gz HYCXBWXBXNDRNP-VQIMIIECSA-N 2 1 330.497 3.344 20 0 EGADMP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000361885109 457929061 /nfs/dbraw/zinc/92/90/61/457929061.db2.gz HYCXBWXBXNDRNP-VQIMIIECSA-N 2 1 330.497 3.344 20 0 EGADMP CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000358321834 457932143 /nfs/dbraw/zinc/93/21/43/457932143.db2.gz RZOVAUWUKHCJSP-ZYSHUDEJSA-N 2 1 332.488 3.114 20 0 EGADMP C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411634156 457934826 /nfs/dbraw/zinc/93/48/26/457934826.db2.gz KPGFFXWAYMEAML-UZUQRXQVSA-N 2 1 334.529 3.015 20 0 EGADMP C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411634156 457934833 /nfs/dbraw/zinc/93/48/33/457934833.db2.gz KPGFFXWAYMEAML-UZUQRXQVSA-N 2 1 334.529 3.015 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[C@H]2CCC[NH+](C)C2)cc1 ZINC000458155825 457947142 /nfs/dbraw/zinc/94/71/42/457947142.db2.gz AXLUJLRNGNZSQN-GOSISDBHSA-N 2 1 345.531 3.380 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000458155825 457947147 /nfs/dbraw/zinc/94/71/47/457947147.db2.gz AXLUJLRNGNZSQN-GOSISDBHSA-N 2 1 345.531 3.380 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000458155825 457947154 /nfs/dbraw/zinc/94/71/54/457947154.db2.gz AXLUJLRNGNZSQN-GOSISDBHSA-N 2 1 345.531 3.380 20 0 EGADMP CC[N@@H+](CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1)C(C)C ZINC000411891237 458004130 /nfs/dbraw/zinc/00/41/30/458004130.db2.gz ZVIFLYLHWUUKCP-UHFFFAOYSA-N 2 1 331.504 3.133 20 0 EGADMP FC(F)(F)c1ccccc1OCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358504213 458044308 /nfs/dbraw/zinc/04/43/08/458044308.db2.gz HZTSEIBJSODGGD-UHFFFAOYSA-N 2 1 328.378 3.160 20 0 EGADMP FC(F)(F)COCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375740320 458044654 /nfs/dbraw/zinc/04/46/54/458044654.db2.gz AWHMSYGCGCXAIV-KRWDZBQOSA-N 2 1 342.405 3.163 20 0 EGADMP C[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375818374 458079406 /nfs/dbraw/zinc/07/94/06/458079406.db2.gz WCRJDPQIHIZXMV-XPGWFJOJSA-N 2 1 347.934 3.285 20 0 EGADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000358572534 458085755 /nfs/dbraw/zinc/08/57/55/458085755.db2.gz QHLUCGVOSVIHLW-XRXFAXGQSA-N 2 1 330.516 3.284 20 0 EGADMP c1[nH]nc2c1cccc2C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435058575 458088387 /nfs/dbraw/zinc/08/83/87/458088387.db2.gz FJZLNBNDMYCFST-UHFFFAOYSA-N 2 1 335.455 3.475 20 0 EGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412145649 458106405 /nfs/dbraw/zinc/10/64/05/458106405.db2.gz DFPOPGPSTGJAGO-LJQANCHMSA-N 2 1 343.515 3.086 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3c(F)cccc3F)C2)CC1 ZINC000375906881 458118093 /nfs/dbraw/zinc/11/80/93/458118093.db2.gz WHSFXBKEDAFQAM-CVEARBPZSA-N 2 1 337.458 3.126 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3c(F)cccc3F)C2)CC1 ZINC000375906881 458118101 /nfs/dbraw/zinc/11/81/01/458118101.db2.gz WHSFXBKEDAFQAM-CVEARBPZSA-N 2 1 337.458 3.126 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C[N@H+]1C1CC1 ZINC000412179090 458118592 /nfs/dbraw/zinc/11/85/92/458118592.db2.gz UJVWVHBDTCEIBY-VQIMIIECSA-N 2 1 341.499 3.028 20 0 EGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000435379756 458128212 /nfs/dbraw/zinc/12/82/12/458128212.db2.gz NIIWMWUJDCZUSV-MRXNPFEDSA-N 2 1 346.496 3.377 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000435379756 458128220 /nfs/dbraw/zinc/12/82/20/458128220.db2.gz NIIWMWUJDCZUSV-MRXNPFEDSA-N 2 1 346.496 3.377 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000435379871 458128551 /nfs/dbraw/zinc/12/85/51/458128551.db2.gz KWQZBFRXPMHMRD-PXNSSMCTSA-N 2 1 339.483 3.447 20 0 EGADMP CC[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435381305 458130535 /nfs/dbraw/zinc/13/05/35/458130535.db2.gz SNVUMRMGOHVQNS-CQSZACIVSA-N 2 1 328.403 3.261 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccccc1OCc1cccnc1 ZINC000435383296 458130887 /nfs/dbraw/zinc/13/08/87/458130887.db2.gz GBBQPELXBNGNRI-IBGZPJMESA-N 2 1 327.472 3.466 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccccc1OCc1cccnc1 ZINC000435383296 458130893 /nfs/dbraw/zinc/13/08/93/458130893.db2.gz GBBQPELXBNGNRI-IBGZPJMESA-N 2 1 327.472 3.466 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)cc1 ZINC000358661327 458134862 /nfs/dbraw/zinc/13/48/62/458134862.db2.gz IBZCLKVIEMOBIS-IAGOWNOFSA-N 2 1 331.504 3.083 20 0 EGADMP C[N@@H+](Cc1cccc(OCc2ccccn2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435430591 458145185 /nfs/dbraw/zinc/14/51/85/458145185.db2.gz CWADTEDAPZGZEX-LJQANCHMSA-N 2 1 325.456 3.235 20 0 EGADMP Cc1nc2cc(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)ccc2n1C1CC1 ZINC000412329513 458169843 /nfs/dbraw/zinc/16/98/43/458169843.db2.gz JQMIXBBONLNJDS-SFHVURJKSA-N 2 1 349.438 3.070 20 0 EGADMP Cc1ncsc1CC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435695824 458186909 /nfs/dbraw/zinc/18/69/09/458186909.db2.gz SXARSGLTEIRYJF-OAHLLOKOSA-N 2 1 348.541 3.095 20 0 EGADMP Cc1ncsc1CC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435695824 458186917 /nfs/dbraw/zinc/18/69/17/458186917.db2.gz SXARSGLTEIRYJF-OAHLLOKOSA-N 2 1 348.541 3.095 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCN(C(C)C)C2=O)CC1)CC(C)C ZINC000358754044 458194227 /nfs/dbraw/zinc/19/42/27/458194227.db2.gz SRTSROYUALSKOY-LJQANCHMSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C[C@@H]2CCOc3ccccc32)C[C@H](C)O1 ZINC000372131190 458203564 /nfs/dbraw/zinc/20/35/64/458203564.db2.gz DMXNWXQGWSEKJV-KSZLIROESA-N 2 1 332.488 3.032 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)CC2)c1 ZINC000429045728 458265861 /nfs/dbraw/zinc/26/58/61/458265861.db2.gz WFRVZURMGCZJDR-FQEVSTJZSA-N 2 1 344.499 3.020 20 0 EGADMP COCc1cccc(OCC2(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)CC2)c1 ZINC000429045728 458265865 /nfs/dbraw/zinc/26/58/65/458265865.db2.gz WFRVZURMGCZJDR-FQEVSTJZSA-N 2 1 344.499 3.020 20 0 EGADMP COCc1cccc(OCC2(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)CC2)c1 ZINC000429045728 458265870 /nfs/dbraw/zinc/26/58/70/458265870.db2.gz WFRVZURMGCZJDR-FQEVSTJZSA-N 2 1 344.499 3.020 20 0 EGADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000459370397 458346612 /nfs/dbraw/zinc/34/66/12/458346612.db2.gz IGFBCKCUXAPEBJ-QZTJIDSGSA-N 2 1 341.543 3.337 20 0 EGADMP Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(OC[C@@H]2CCCO2)c1 ZINC000459443414 458372276 /nfs/dbraw/zinc/37/22/76/458372276.db2.gz NFMMGPZXSGZKAE-FQEVSTJZSA-N 2 1 344.499 3.269 20 0 EGADMP CC(C)OC1CC([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000459502376 458393241 /nfs/dbraw/zinc/39/32/41/458393241.db2.gz PAZWGUSYGGRHNK-HJLBWTBNSA-N 2 1 328.500 3.396 20 0 EGADMP CC(C)OC1CC([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000459502376 458393247 /nfs/dbraw/zinc/39/32/47/458393247.db2.gz PAZWGUSYGGRHNK-HJLBWTBNSA-N 2 1 328.500 3.396 20 0 EGADMP Fc1ccccc1-c1nc2c(s1)[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCC2 ZINC000423433973 458432729 /nfs/dbraw/zinc/43/27/29/458432729.db2.gz NNYOPKSOYDJVCR-CQJJVWNLSA-N 2 1 329.444 3.134 20 0 EGADMP Cc1c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cnn1-c1ccc(F)cc1 ZINC000423535985 458453365 /nfs/dbraw/zinc/45/33/65/458453365.db2.gz YVHRJGGKZVNFKP-YJYMSZOUSA-N 2 1 330.451 3.488 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cnn1-c1ccc(F)cc1 ZINC000423535984 458454046 /nfs/dbraw/zinc/45/40/46/458454046.db2.gz YVHRJGGKZVNFKP-ORAYPTAESA-N 2 1 330.451 3.488 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423537853 458454935 /nfs/dbraw/zinc/45/49/35/458454935.db2.gz LEJQSLCIROATBD-BHDDXSALSA-N 3 1 339.527 3.187 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000459721842 458457197 /nfs/dbraw/zinc/45/71/97/458457197.db2.gz BDYDBPFUSWSTFQ-ZWKOTPCHSA-N 2 1 331.504 3.342 20 0 EGADMP C[C@](C[NH3+])([NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl)C1CC1 ZINC000430598260 458469780 /nfs/dbraw/zinc/46/97/80/458469780.db2.gz SHGBCOAJAXNKIM-OAHLLOKOSA-N 2 1 330.259 3.039 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430924225 458506593 /nfs/dbraw/zinc/50/65/93/458506593.db2.gz IJJVMYAMACEOPR-KRWDZBQOSA-N 2 1 337.467 3.224 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431042423 458520699 /nfs/dbraw/zinc/52/06/99/458520699.db2.gz HKSHFGLUYHDMHS-PNYFIKQUSA-N 2 1 343.515 3.029 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](CC)C[C@H]1C)Cc1ccccc1 ZINC000468776176 458535863 /nfs/dbraw/zinc/53/58/63/458535863.db2.gz AYRNXYDXONLYIQ-GIVPXCGWSA-N 2 1 331.548 3.259 20 0 EGADMP Cn1ccnc1[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000377825353 458543192 /nfs/dbraw/zinc/54/31/92/458543192.db2.gz AZKHZAZBVQDUCL-IBGZPJMESA-N 2 1 340.515 3.368 20 0 EGADMP Cn1ccnc1[C@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000377825353 458543195 /nfs/dbraw/zinc/54/31/95/458543195.db2.gz AZKHZAZBVQDUCL-IBGZPJMESA-N 2 1 340.515 3.368 20 0 EGADMP Cn1ccnc1[C@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000377825353 458543198 /nfs/dbraw/zinc/54/31/98/458543198.db2.gz AZKHZAZBVQDUCL-IBGZPJMESA-N 2 1 340.515 3.368 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000431551261 458587522 /nfs/dbraw/zinc/58/75/22/458587522.db2.gz AWFJCSDBVLEYOM-MSOLQXFVSA-N 2 1 348.535 3.413 20 0 EGADMP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000462012499 458588132 /nfs/dbraw/zinc/58/81/32/458588132.db2.gz IPDHCFXWBAKWAF-SFHVURJKSA-N 2 1 340.556 3.013 20 0 EGADMP C[N@@H+](CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)Cc1ccccc1 ZINC000493891694 458595789 /nfs/dbraw/zinc/59/57/89/458595789.db2.gz OWNLHFMVDUNMCN-VAMGGRTRSA-N 2 1 328.500 3.446 20 0 EGADMP CC(C)c1ccc(CC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000469954464 458602782 /nfs/dbraw/zinc/60/27/82/458602782.db2.gz VFZBUZMJTNOYQE-UGKGYDQZSA-N 2 1 343.559 3.310 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000469989191 458604577 /nfs/dbraw/zinc/60/45/77/458604577.db2.gz DXWBCIDWNBNAKM-UONOGXRCSA-N 2 1 325.294 3.484 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000469989191 458604579 /nfs/dbraw/zinc/60/45/79/458604579.db2.gz DXWBCIDWNBNAKM-UONOGXRCSA-N 2 1 325.294 3.484 20 0 EGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000469973669 458605124 /nfs/dbraw/zinc/60/51/24/458605124.db2.gz NIHUIWYESYIPNK-SFHVURJKSA-N 2 1 344.499 3.495 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000469973669 458605130 /nfs/dbraw/zinc/60/51/30/458605130.db2.gz NIHUIWYESYIPNK-SFHVURJKSA-N 2 1 344.499 3.495 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000469973669 458605137 /nfs/dbraw/zinc/60/51/37/458605137.db2.gz NIHUIWYESYIPNK-SFHVURJKSA-N 2 1 344.499 3.495 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000469973669 458605144 /nfs/dbraw/zinc/60/51/44/458605144.db2.gz NIHUIWYESYIPNK-SFHVURJKSA-N 2 1 344.499 3.495 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1ncc(-c3cccc(F)c3)o1)CC[NH2+]CC2 ZINC000424294415 458606879 /nfs/dbraw/zinc/60/68/79/458606879.db2.gz QFGDPTVQCCJXNA-CQSZACIVSA-N 2 1 329.419 3.445 20 0 EGADMP CC(C)c1cccc(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424298897 458607429 /nfs/dbraw/zinc/60/74/29/458607429.db2.gz UOKHQHSENLRNJQ-INIZCTEOSA-N 2 1 329.488 3.213 20 0 EGADMP COc1ccnc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000424314338 458612922 /nfs/dbraw/zinc/61/29/22/458612922.db2.gz ZZLWNIANFTZNBN-UHFFFAOYSA-N 2 1 340.471 3.018 20 0 EGADMP C[C@@H]1[C@H](NC(=O)CC[NH+]2CCCC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000494060949 458622963 /nfs/dbraw/zinc/62/29/63/458622963.db2.gz SBVMMEXPLRTIJD-QWFCFKBJSA-N 2 1 343.515 3.030 20 0 EGADMP Cc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(-c2cnn(C)c2)c1 ZINC000424377016 458629144 /nfs/dbraw/zinc/62/91/44/458629144.db2.gz LNPADLAPDMBABH-KRWDZBQOSA-N 2 1 338.499 3.360 20 0 EGADMP COc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OC(F)F ZINC000424381551 458630357 /nfs/dbraw/zinc/63/03/57/458630357.db2.gz RAGCUJDTOYXAMF-ZDUSSCGKSA-N 2 1 340.414 3.261 20 0 EGADMP Cc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC000546574248 458638778 /nfs/dbraw/zinc/63/87/78/458638778.db2.gz MKPYDPCWOQVFRE-FGZHOGPDSA-N 2 1 338.495 3.243 20 0 EGADMP Cc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC000546574248 458638787 /nfs/dbraw/zinc/63/87/87/458638787.db2.gz MKPYDPCWOQVFRE-FGZHOGPDSA-N 2 1 338.495 3.243 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000424447608 458646553 /nfs/dbraw/zinc/64/65/53/458646553.db2.gz VVZJMRUBYJVSDZ-OAHLLOKOSA-N 2 1 332.492 3.087 20 0 EGADMP C[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000462785366 458653110 /nfs/dbraw/zinc/65/31/10/458653110.db2.gz OZCNWRKASRECAG-QGZVFWFLSA-N 2 1 332.488 3.416 20 0 EGADMP C[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000462785366 458653116 /nfs/dbraw/zinc/65/31/16/458653116.db2.gz OZCNWRKASRECAG-QGZVFWFLSA-N 2 1 332.488 3.416 20 0 EGADMP C[NH+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000462785366 458653120 /nfs/dbraw/zinc/65/31/20/458653120.db2.gz OZCNWRKASRECAG-QGZVFWFLSA-N 2 1 332.488 3.416 20 0 EGADMP C[NH+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000462785366 458653126 /nfs/dbraw/zinc/65/31/26/458653126.db2.gz OZCNWRKASRECAG-QGZVFWFLSA-N 2 1 332.488 3.416 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000546723498 458666200 /nfs/dbraw/zinc/66/62/00/458666200.db2.gz XXPHPGXQPZETCM-IBGZPJMESA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000530231350 458725294 /nfs/dbraw/zinc/72/52/94/458725294.db2.gz POPFKLJBFUJCRH-PELRDEGISA-N 2 1 330.516 3.397 20 0 EGADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000432424521 458737700 /nfs/dbraw/zinc/73/77/00/458737700.db2.gz JESUCGDVJFBNBY-IMRCBTMISA-N 2 1 344.421 3.244 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440122848 458783226 /nfs/dbraw/zinc/78/32/26/458783226.db2.gz YKZMBPZLZPVKOI-BWPNAZKDSA-N 2 1 347.547 3.257 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000440122848 458783235 /nfs/dbraw/zinc/78/32/35/458783235.db2.gz YKZMBPZLZPVKOI-BWPNAZKDSA-N 2 1 347.547 3.257 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000440122848 458783240 /nfs/dbraw/zinc/78/32/40/458783240.db2.gz YKZMBPZLZPVKOI-BWPNAZKDSA-N 2 1 347.547 3.257 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(CC(=O)NCCCC2CCCCC2)C1 ZINC000472461348 458796882 /nfs/dbraw/zinc/79/68/82/458796882.db2.gz HLBJXHDERBFHDX-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@@H](C)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000472483097 458798286 /nfs/dbraw/zinc/79/82/86/458798286.db2.gz DMRNXHPPSQNHES-MJGOQNOKSA-N 2 1 343.515 3.294 20 0 EGADMP c1cn2c(n1)C[C@H](NCc1csc(COc3ccccc3)n1)CC2 ZINC000547967543 458815731 /nfs/dbraw/zinc/81/57/31/458815731.db2.gz PCWZNRYFUGDCQY-CQSZACIVSA-N 2 1 340.452 3.023 20 0 EGADMP C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000495508782 458871024 /nfs/dbraw/zinc/87/10/24/458871024.db2.gz IKAJIAIZQVNUAN-SJORKVTESA-N 2 1 339.524 3.098 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)cc1)C1CC1 ZINC000457119118 458873524 /nfs/dbraw/zinc/87/35/24/458873524.db2.gz NAZDMLGCFZOMKT-FQEVSTJZSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1)C1CC1 ZINC000457119118 458873528 /nfs/dbraw/zinc/87/35/28/458873528.db2.gz NAZDMLGCFZOMKT-FQEVSTJZSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1)C1CC1 ZINC000457119118 458873533 /nfs/dbraw/zinc/87/35/33/458873533.db2.gz NAZDMLGCFZOMKT-FQEVSTJZSA-N 2 1 343.515 3.226 20 0 EGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccccc2Cl)c2cccs2)CC1 ZINC000518749089 458889464 /nfs/dbraw/zinc/88/94/64/458889464.db2.gz NJBKHDDXGOZJEX-KRWDZBQOSA-N 2 1 349.931 3.480 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCc1cccc(N2CCC2=O)c1 ZINC000441198133 458898245 /nfs/dbraw/zinc/89/82/45/458898245.db2.gz AYJLSYBFXUULOA-UWJYYQICSA-N 2 1 349.478 3.033 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCc1cccc(N2CCC2=O)c1 ZINC000441198133 458898251 /nfs/dbraw/zinc/89/82/51/458898251.db2.gz AYJLSYBFXUULOA-UWJYYQICSA-N 2 1 349.478 3.033 20 0 EGADMP C[C@@H](O)C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441237064 458904649 /nfs/dbraw/zinc/90/46/49/458904649.db2.gz VXXQKUDTPZUQEL-FRQCXROJSA-N 2 1 338.923 3.438 20 0 EGADMP C[C@@H](O)C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441237064 458904652 /nfs/dbraw/zinc/90/46/52/458904652.db2.gz VXXQKUDTPZUQEL-FRQCXROJSA-N 2 1 338.923 3.438 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441278295 458911087 /nfs/dbraw/zinc/91/10/87/458911087.db2.gz RDGXFZTVILVPIO-HUUCEWRRSA-N 2 1 335.879 3.159 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441278295 458911091 /nfs/dbraw/zinc/91/10/91/458911091.db2.gz RDGXFZTVILVPIO-HUUCEWRRSA-N 2 1 335.879 3.159 20 0 EGADMP CCC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(C)C ZINC000566430107 458930345 /nfs/dbraw/zinc/93/03/45/458930345.db2.gz JMFRGVJRFORPLX-UHFFFAOYSA-N 2 1 349.544 3.294 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441397232 458935907 /nfs/dbraw/zinc/93/59/07/458935907.db2.gz TUIDJGZMBVXJPH-ABSDTBQOSA-N 2 1 341.499 3.271 20 0 EGADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccsc1 ZINC000531677641 458959405 /nfs/dbraw/zinc/95/94/05/458959405.db2.gz DOPGYDPHEXHLIZ-GDBMZVCRSA-N 2 1 335.542 3.449 20 0 EGADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000531689153 458961393 /nfs/dbraw/zinc/96/13/93/458961393.db2.gz FYOLCIXHZAIPJZ-MBNYWOFBSA-N 2 1 328.403 3.115 20 0 EGADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000531689153 458961402 /nfs/dbraw/zinc/96/14/02/458961402.db2.gz FYOLCIXHZAIPJZ-MBNYWOFBSA-N 2 1 328.403 3.115 20 0 EGADMP CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000531701939 458963030 /nfs/dbraw/zinc/96/30/30/458963030.db2.gz SFWFLXKFQRRSSU-MJGOQNOKSA-N 2 1 334.504 3.219 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000476128169 458981291 /nfs/dbraw/zinc/98/12/91/458981291.db2.gz BSZWGEJXOXBXNS-KURKYZTESA-N 2 1 337.552 3.266 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000566716886 458987721 /nfs/dbraw/zinc/98/77/21/458987721.db2.gz OKAPXFAFBTWAJO-NHCUHLMSSA-N 2 1 330.516 3.382 20 0 EGADMP CSCC[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000442753229 459031707 /nfs/dbraw/zinc/03/17/07/459031707.db2.gz UOTZREMNFVEFQZ-INIZCTEOSA-N 2 1 346.500 3.475 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCOCC4CCC4)[C@@H]3C2)cc1 ZINC000577434105 459031927 /nfs/dbraw/zinc/03/19/27/459031927.db2.gz GUFUKRNZCJQSQS-HBMCJLEFSA-N 2 1 328.500 3.303 20 0 EGADMP O[C@]1(C[NH2+]C2CCC(C(F)F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000442772371 459034364 /nfs/dbraw/zinc/03/43/64/459034364.db2.gz VSXACAZKLDDXBC-TVPLGVNVSA-N 2 1 338.442 3.037 20 0 EGADMP O[C@]1(C[NH2+]C2CCC(C(F)F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000442772371 459034369 /nfs/dbraw/zinc/03/43/69/459034369.db2.gz VSXACAZKLDDXBC-TVPLGVNVSA-N 2 1 338.442 3.037 20 0 EGADMP C[C@@H]1CC[N@H+](CCNC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000532239372 459052688 /nfs/dbraw/zinc/05/26/88/459052688.db2.gz GEDTZDSTFYDVNQ-MRXNPFEDSA-N 2 1 335.923 3.236 20 0 EGADMP C[C@@H]1CC[N@@H+](CCNC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000532239372 459052695 /nfs/dbraw/zinc/05/26/95/459052695.db2.gz GEDTZDSTFYDVNQ-MRXNPFEDSA-N 2 1 335.923 3.236 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000442923651 459060863 /nfs/dbraw/zinc/06/08/63/459060863.db2.gz QXKZPNJETVNLIH-QGZVFWFLSA-N 2 1 325.456 3.221 20 0 EGADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C1CCOCC1 ZINC000532464990 459092726 /nfs/dbraw/zinc/09/27/26/459092726.db2.gz CLHYTTOFGMYFKV-UTKZUKDTSA-N 2 1 346.515 3.202 20 0 EGADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C1CCOCC1 ZINC000532464990 459092731 /nfs/dbraw/zinc/09/27/31/459092731.db2.gz CLHYTTOFGMYFKV-UTKZUKDTSA-N 2 1 346.515 3.202 20 0 EGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C1CCOCC1 ZINC000532464982 459092795 /nfs/dbraw/zinc/09/27/95/459092795.db2.gz CLHYTTOFGMYFKV-DYESRHJHSA-N 2 1 346.515 3.202 20 0 EGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C1CCOCC1 ZINC000532464982 459092803 /nfs/dbraw/zinc/09/28/03/459092803.db2.gz CLHYTTOFGMYFKV-DYESRHJHSA-N 2 1 346.515 3.202 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000532480949 459097138 /nfs/dbraw/zinc/09/71/38/459097138.db2.gz HWUMHKUSIVOGMB-HOTGVXAUSA-N 2 1 329.488 3.342 20 0 EGADMP Cc1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(C)c1 ZINC000520932344 459105422 /nfs/dbraw/zinc/10/54/22/459105422.db2.gz AXZAMPSUPOFMES-LJQANCHMSA-N 2 1 343.540 3.443 20 0 EGADMP COc1ccccc1[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000577963868 459124258 /nfs/dbraw/zinc/12/42/58/459124258.db2.gz QWCBRBRDTBQRIS-LNLFQRSKSA-N 2 1 331.504 3.082 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N([C@H](C)C(C)C)C3CC3)CC2)CC1 ZINC000567625049 459136282 /nfs/dbraw/zinc/13/62/82/459136282.db2.gz COKSXQWEIPHNHG-QGZVFWFLSA-N 2 1 349.563 3.218 20 0 EGADMP Cc1cc(C)cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000521331980 459140818 /nfs/dbraw/zinc/14/08/18/459140818.db2.gz WPEJWUNQJAWOBB-IBGZPJMESA-N 2 1 343.540 3.443 20 0 EGADMP CC1CC[NH+](CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000558477763 459164637 /nfs/dbraw/zinc/16/46/37/459164637.db2.gz IWRGCKYPIYLUJG-FCHUYYIVSA-N 2 1 341.543 3.172 20 0 EGADMP CSCC1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000590645321 459170781 /nfs/dbraw/zinc/17/07/81/459170781.db2.gz QFYTYNZTACCYEW-LEOMRAHMSA-N 2 1 326.550 3.141 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2cccc(C)c2)CC(C)C)CC1 ZINC000521821264 459180520 /nfs/dbraw/zinc/18/05/20/459180520.db2.gz AAIOPWAWBARRBD-UHFFFAOYSA-N 2 1 345.531 3.054 20 0 EGADMP COC1(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCCCC1 ZINC000480368632 459195520 /nfs/dbraw/zinc/19/55/20/459195520.db2.gz DLBWHOXANWXFCW-HXUWFJFHSA-N 2 1 330.516 3.490 20 0 EGADMP CC[C@@H](CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)[N@H+]1CCc2ccccc2C1 ZINC000480378838 459196206 /nfs/dbraw/zinc/19/62/06/459196206.db2.gz OQPCTWDAWKCCEN-LPHOPBHVSA-N 2 1 345.531 3.106 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000480767779 459218454 /nfs/dbraw/zinc/21/84/54/459218454.db2.gz FJSUZDIGIXXQEI-ATZDWAIDSA-N 2 1 335.923 3.407 20 0 EGADMP CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590787099 459219006 /nfs/dbraw/zinc/21/90/06/459219006.db2.gz XBZZRQWUKJYSFP-HKUYNNGSSA-N 2 1 337.552 3.218 20 0 EGADMP CCN(C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)C1CCCCC1 ZINC000590786664 459219078 /nfs/dbraw/zinc/21/90/78/459219078.db2.gz JIIITPGIGYBEFY-UHFFFAOYSA-N 2 1 337.552 3.220 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000590787303 459219636 /nfs/dbraw/zinc/21/96/36/459219636.db2.gz ZENCBLPUFWPNNL-KRWDZBQOSA-N 2 1 331.504 3.374 20 0 EGADMP Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000590818913 459232623 /nfs/dbraw/zinc/23/26/23/459232623.db2.gz IKNJWLBAYHCQQT-FQEVSTJZSA-N 2 1 348.531 3.095 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496639572 459268531 /nfs/dbraw/zinc/26/85/31/459268531.db2.gz KDOSCYGPZOISKC-BBWFWOEESA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000481730822 459271447 /nfs/dbraw/zinc/27/14/47/459271447.db2.gz DIUKIYVJNLTPLJ-GHTZIAJQSA-N 3 1 329.532 3.492 20 0 EGADMP C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000481730822 459271450 /nfs/dbraw/zinc/27/14/50/459271450.db2.gz DIUKIYVJNLTPLJ-GHTZIAJQSA-N 2 1 329.532 3.492 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1c1ccccc1 ZINC000559753448 459275618 /nfs/dbraw/zinc/27/56/18/459275618.db2.gz NSRGKSNGMRIIQM-BBWFWOEESA-N 2 1 341.421 3.048 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1c1ccccc1 ZINC000559753448 459275625 /nfs/dbraw/zinc/27/56/25/459275625.db2.gz NSRGKSNGMRIIQM-BBWFWOEESA-N 2 1 341.421 3.048 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000496659605 459276214 /nfs/dbraw/zinc/27/62/14/459276214.db2.gz LLIZIXJJOPQGHQ-BRWVUGGUSA-N 2 1 341.540 3.198 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000496659605 459276219 /nfs/dbraw/zinc/27/62/19/459276219.db2.gz LLIZIXJJOPQGHQ-BRWVUGGUSA-N 2 1 341.540 3.198 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000496659605 459276222 /nfs/dbraw/zinc/27/62/22/459276222.db2.gz LLIZIXJJOPQGHQ-BRWVUGGUSA-N 2 1 341.540 3.198 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000496659605 459276226 /nfs/dbraw/zinc/27/62/26/459276226.db2.gz LLIZIXJJOPQGHQ-BRWVUGGUSA-N 2 1 341.540 3.198 20 0 EGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000568499918 459297590 /nfs/dbraw/zinc/29/75/90/459297590.db2.gz ZHKLFJWJUXJVCL-OALUTQOASA-N 2 1 325.456 3.410 20 0 EGADMP Cc1ccc(C[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C(C)C)cc1 ZINC000482366941 459304696 /nfs/dbraw/zinc/30/46/96/459304696.db2.gz MREZVXQCASSETD-JOCHJYFZSA-N 2 1 345.575 3.425 20 0 EGADMP Cc1ccc(C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c2ccc(C)cc2)cc1 ZINC000482627520 459317614 /nfs/dbraw/zinc/31/76/14/459317614.db2.gz HTNHAZVDMGQBHK-LEWJYISDSA-N 2 1 326.484 3.099 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000482630094 459318028 /nfs/dbraw/zinc/31/80/28/459318028.db2.gz MLJHUCVVUAMHAB-OXJNMPFZSA-N 3 1 349.950 3.482 20 0 EGADMP C[C@H]1CN(C)CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000482630094 459318033 /nfs/dbraw/zinc/31/80/33/459318033.db2.gz MLJHUCVVUAMHAB-OXJNMPFZSA-N 2 1 349.950 3.482 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cc2c(s1)CCCC2 ZINC000482744898 459322874 /nfs/dbraw/zinc/32/28/74/459322874.db2.gz NPQKXLQCHPKSSZ-WBVHZDCISA-N 2 1 336.545 3.370 20 0 EGADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCSC2CCCCC2)CC1 ZINC000595513567 459330346 /nfs/dbraw/zinc/33/03/46/459330346.db2.gz WKFQBAHARFBJKE-UHFFFAOYSA-N 2 1 328.566 3.125 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)CN[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000568764274 459341455 /nfs/dbraw/zinc/34/14/55/459341455.db2.gz OVNSJAITEZZOQL-APWZRJJASA-N 2 1 342.483 3.325 20 0 EGADMP CCN(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000568764274 459341461 /nfs/dbraw/zinc/34/14/61/459341461.db2.gz OVNSJAITEZZOQL-APWZRJJASA-N 2 1 342.483 3.325 20 0 EGADMP COc1ccc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1OC ZINC000582323601 459345565 /nfs/dbraw/zinc/34/55/65/459345565.db2.gz HVWPWQWDLSPCOT-IYBDPMFKSA-N 2 1 334.504 3.470 20 0 EGADMP COc1ccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1OC ZINC000582323601 459345567 /nfs/dbraw/zinc/34/55/67/459345567.db2.gz HVWPWQWDLSPCOT-IYBDPMFKSA-N 2 1 334.504 3.470 20 0 EGADMP OCCCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000560538682 459369241 /nfs/dbraw/zinc/36/92/41/459369241.db2.gz YVOKLXJAYDXINV-PCCBWWKXSA-N 2 1 330.516 3.429 20 0 EGADMP Cn1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000560544184 459370494 /nfs/dbraw/zinc/37/04/94/459370494.db2.gz GVEYCLAWYQXPOO-HMXCVIKNSA-N 2 1 338.499 3.201 20 0 EGADMP Cn1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000560544184 459370498 /nfs/dbraw/zinc/37/04/98/459370498.db2.gz GVEYCLAWYQXPOO-HMXCVIKNSA-N 2 1 338.499 3.201 20 0 EGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000569002654 459380789 /nfs/dbraw/zinc/38/07/89/459380789.db2.gz BZWTWLIPSSCJNS-SFTDATJTSA-N 3 1 329.532 3.048 20 0 EGADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@@H](C)C(C)C ZINC000569116327 459400376 /nfs/dbraw/zinc/40/03/76/459400376.db2.gz DAHCBHSQZVMJLD-KRWDZBQOSA-N 2 1 337.552 3.076 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2C)[C@@H](C)C1 ZINC000484274426 459410118 /nfs/dbraw/zinc/41/01/18/459410118.db2.gz DRFAARHYGATEGQ-PXNSSMCTSA-N 2 1 336.495 3.403 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c(OCC(F)(F)F)c1 ZINC000484612664 459421930 /nfs/dbraw/zinc/42/19/30/459421930.db2.gz GNJPZGKJDYTBDO-UKRRQHHQSA-N 2 1 330.394 3.366 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c(OCC(F)(F)F)c1 ZINC000484612664 459421938 /nfs/dbraw/zinc/42/19/38/459421938.db2.gz GNJPZGKJDYTBDO-UKRRQHHQSA-N 2 1 330.394 3.366 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000591700538 459423821 /nfs/dbraw/zinc/42/38/21/459423821.db2.gz JPYWKFIVACNWQI-AWEZNQCLSA-N 2 1 339.443 3.016 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@@H](C)CCCC(C)C)C[C@H]1C ZINC000484907114 459434118 /nfs/dbraw/zinc/43/41/18/459434118.db2.gz IVEBORUPYDAFHO-KSZLIROESA-N 2 1 325.541 3.122 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497203335 459484084 /nfs/dbraw/zinc/48/40/84/459484084.db2.gz RDDQOXGJCGZNSP-JKSUJKDBSA-N 2 1 339.524 3.096 20 0 EGADMP CCCCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000486210155 459492642 /nfs/dbraw/zinc/49/26/42/459492642.db2.gz BANRTNNPPZXBHU-DOTOQJQBSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000569855841 459520420 /nfs/dbraw/zinc/52/04/20/459520420.db2.gz HPKQKTQFYWWUNU-CYBMUJFWSA-N 2 1 334.414 3.175 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)C3CCCCC3)CC2)CC1 ZINC000572853954 459586137 /nfs/dbraw/zinc/58/61/37/459586137.db2.gz TXQMWOQGDSWYEM-KRWDZBQOSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000583814697 459601146 /nfs/dbraw/zinc/60/11/46/459601146.db2.gz IJBUUMXQNUXFAR-QFUCXCTJSA-N 2 1 349.563 3.397 20 0 EGADMP CC[C@H]1C[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000592489086 459612439 /nfs/dbraw/zinc/61/24/39/459612439.db2.gz PMIIUCZZCZUILS-WFASDCNBSA-N 2 1 332.366 3.023 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000573111313 459628529 /nfs/dbraw/zinc/62/85/29/459628529.db2.gz QSIHHFZOFQTYBD-LPHOPBHVSA-N 2 1 338.923 3.488 20 0 EGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000573116100 459628813 /nfs/dbraw/zinc/62/88/13/459628813.db2.gz LLGYIMKXAZAIGU-QRVBRYPASA-N 2 1 336.907 3.413 20 0 EGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000573116100 459628818 /nfs/dbraw/zinc/62/88/18/459628818.db2.gz LLGYIMKXAZAIGU-QRVBRYPASA-N 2 1 336.907 3.413 20 0 EGADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000573452817 459681200 /nfs/dbraw/zinc/68/12/00/459681200.db2.gz HIZOSOUZKPJVRK-BHDDXSALSA-N 2 1 338.495 3.324 20 0 EGADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000573452817 459681204 /nfs/dbraw/zinc/68/12/04/459681204.db2.gz HIZOSOUZKPJVRK-BHDDXSALSA-N 2 1 338.495 3.324 20 0 EGADMP Cc1[nH]c2ccc(F)cc2c1CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000527801794 459741851 /nfs/dbraw/zinc/74/18/51/459741851.db2.gz WALDKTSPPFVMLC-UHFFFAOYSA-N 2 1 326.419 3.409 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cc(F)c(Br)cc1F ZINC000527977192 459787118 /nfs/dbraw/zinc/78/71/18/459787118.db2.gz CONRRHBFEBOHQY-OTYXRUKQSA-N 2 1 333.220 3.157 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000574312020 459805377 /nfs/dbraw/zinc/80/53/77/459805377.db2.gz HPYMJWMBPLAAFH-YDHLFZDLSA-N 2 1 343.298 3.284 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000574312020 459805380 /nfs/dbraw/zinc/80/53/80/459805380.db2.gz HPYMJWMBPLAAFH-YDHLFZDLSA-N 2 1 343.298 3.284 20 0 EGADMP COC(=O)c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1F ZINC000597046670 459823996 /nfs/dbraw/zinc/82/39/96/459823996.db2.gz IPAJREYOKQUPIN-OAHLLOKOSA-N 2 1 336.451 3.214 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000566295071 459837710 /nfs/dbraw/zinc/83/77/10/459837710.db2.gz PYADWWPQLICDNN-BHIYHBOVSA-N 2 1 335.536 3.007 20 0 EGADMP CC[C@@](C)(COc1ncccc1Cl)[NH2+]CCCc1c[nH+]cn1C ZINC000566415265 459862091 /nfs/dbraw/zinc/86/20/91/459862091.db2.gz ZZWPMMSGNUUZJW-KRWDZBQOSA-N 2 1 336.867 3.238 20 0 EGADMP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000545866815 459862880 /nfs/dbraw/zinc/86/28/80/459862880.db2.gz GQHKTQFFCHEATG-NQIIRXRSSA-N 2 1 346.515 3.009 20 0 EGADMP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000545866815 459862883 /nfs/dbraw/zinc/86/28/83/459862883.db2.gz GQHKTQFFCHEATG-NQIIRXRSSA-N 2 1 346.515 3.009 20 0 EGADMP CC1=CCN(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000545865178 459863199 /nfs/dbraw/zinc/86/31/99/459863199.db2.gz FXFANJKBIRTSPZ-YPAWHYETSA-N 2 1 339.527 3.139 20 0 EGADMP CC1=CC[N@H+](CCN[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000545865178 459863207 /nfs/dbraw/zinc/86/32/07/459863207.db2.gz FXFANJKBIRTSPZ-YPAWHYETSA-N 2 1 339.527 3.139 20 0 EGADMP CC1=CC[N@@H+](CCN[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000545865178 459863211 /nfs/dbraw/zinc/86/32/11/459863211.db2.gz FXFANJKBIRTSPZ-YPAWHYETSA-N 2 1 339.527 3.139 20 0 EGADMP CC1=CC[NH+](CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000545865178 459863216 /nfs/dbraw/zinc/86/32/16/459863216.db2.gz FXFANJKBIRTSPZ-YPAWHYETSA-N 2 1 339.527 3.139 20 0 EGADMP CC1=CC[NH+](CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000545865178 459863221 /nfs/dbraw/zinc/86/32/21/459863221.db2.gz FXFANJKBIRTSPZ-YPAWHYETSA-N 2 1 339.527 3.139 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621655415 459997844 /nfs/dbraw/zinc/99/78/44/459997844.db2.gz MQVMHOAFFSXADF-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000576279487 460105622 /nfs/dbraw/zinc/10/56/22/460105622.db2.gz YEHXCJXLNVOUAW-INIZCTEOSA-N 2 1 339.487 3.231 20 0 EGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000576279487 460105630 /nfs/dbraw/zinc/10/56/30/460105630.db2.gz YEHXCJXLNVOUAW-INIZCTEOSA-N 2 1 339.487 3.231 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)o1 ZINC000618661314 460111949 /nfs/dbraw/zinc/11/19/49/460111949.db2.gz PZGMLDAVUDHBJS-MRXNPFEDSA-N 2 1 347.503 3.258 20 0 EGADMP CCCn1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000576454404 460144322 /nfs/dbraw/zinc/14/43/22/460144322.db2.gz FKWAOPLTJYCWDL-SFHVURJKSA-N 2 1 346.544 3.038 20 0 EGADMP CC(C)=C[C@@H]1[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1(C)C ZINC000619176724 460290282 /nfs/dbraw/zinc/29/02/82/460290282.db2.gz IJMZLPAELJRHLH-QAPCUYQASA-N 2 1 342.487 3.010 20 0 EGADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCc2cccc(C(F)(F)F)c2)CCO1 ZINC000628352649 460379096 /nfs/dbraw/zinc/37/90/96/460379096.db2.gz POHFSKZNNGNLIN-KRWDZBQOSA-N 2 1 344.421 3.291 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-c3c[nH]cn3)cc2)C[C@H]1C ZINC000631442025 460381330 /nfs/dbraw/zinc/38/13/30/460381330.db2.gz UPMZECLTNLJYDB-PBHICJAKSA-N 2 1 326.444 3.022 20 0 EGADMP CCC1([NH+]2CCCC2)CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000631447726 460383680 /nfs/dbraw/zinc/38/36/80/460383680.db2.gz BBKMTDMKTWTGLS-UHFFFAOYSA-N 2 1 343.519 3.312 20 0 EGADMP Cc1ccc([C@@H](C)C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000600120178 460391783 /nfs/dbraw/zinc/39/17/83/460391783.db2.gz JBTIYYWSLFDUPG-PZJWPPBQSA-N 2 1 329.532 3.199 20 0 EGADMP Cc1cc(Br)c(C[NH2+]CCc2c[nH+]cn2C)cc1Cl ZINC000623086080 460406906 /nfs/dbraw/zinc/40/69/06/460406906.db2.gz WAHVYMGOJFPPMP-UHFFFAOYSA-N 2 1 342.668 3.477 20 0 EGADMP CCOc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc(Cl)c1O ZINC000628425428 460411662 /nfs/dbraw/zinc/41/16/62/460411662.db2.gz KNATWWPHANABOS-CYBMUJFWSA-N 2 1 326.868 3.266 20 0 EGADMP CCOc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc(Cl)c1O ZINC000628425428 460411667 /nfs/dbraw/zinc/41/16/67/460411667.db2.gz KNATWWPHANABOS-CYBMUJFWSA-N 2 1 326.868 3.266 20 0 EGADMP COc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000631575508 460451849 /nfs/dbraw/zinc/45/18/49/460451849.db2.gz MOWIGOBJVLLBCS-RHSMWYFYSA-N 2 1 329.444 3.340 20 0 EGADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000604773122 460477203 /nfs/dbraw/zinc/47/72/03/460477203.db2.gz AAPTYTQAJBTNAS-PKOBYXMFSA-N 2 1 347.547 3.380 20 0 EGADMP CC(C)(C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000634721852 460492714 /nfs/dbraw/zinc/49/27/14/460492714.db2.gz GLYFHQDJOLVJHS-QGZVFWFLSA-N 2 1 344.421 3.192 20 0 EGADMP CC(C)(C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000634721852 460492720 /nfs/dbraw/zinc/49/27/20/460492720.db2.gz GLYFHQDJOLVJHS-QGZVFWFLSA-N 2 1 344.421 3.192 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cnn(C)c1 ZINC000631664507 460497686 /nfs/dbraw/zinc/49/76/86/460497686.db2.gz OETCYVXOTVPYPF-QRFRQXIXSA-N 2 1 326.488 3.229 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccsc1C(F)(F)F ZINC000623412685 460534176 /nfs/dbraw/zinc/53/41/76/460534176.db2.gz XAFVNJIPSLHELM-ZDUSSCGKSA-N 2 1 336.423 3.093 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)o1 ZINC000607125379 460793460 /nfs/dbraw/zinc/79/34/60/460793460.db2.gz YLONLYOONFBEHY-HOTGVXAUSA-N 2 1 335.492 3.066 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCCOCCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629561983 460808899 /nfs/dbraw/zinc/80/88/99/460808899.db2.gz MBWSYYGJJBCLRQ-SJORKVTESA-N 2 1 344.421 3.095 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](CCCOc2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000629563386 460811173 /nfs/dbraw/zinc/81/11/73/460811173.db2.gz DXSGMGDBVDVTES-SWLSCSKDSA-N 2 1 334.357 3.054 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCCOc2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000629563386 460811177 /nfs/dbraw/zinc/81/11/77/460811177.db2.gz DXSGMGDBVDVTES-SWLSCSKDSA-N 2 1 334.357 3.054 20 0 EGADMP COc1ccc2oc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)cc2c1 ZINC000629652811 460847076 /nfs/dbraw/zinc/84/70/76/460847076.db2.gz CBXWBNKTQVUZMM-DOMZBBRYSA-N 2 1 342.361 3.401 20 0 EGADMP COc1ccc2oc(C[N@H+]3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)cc2c1 ZINC000629652811 460847085 /nfs/dbraw/zinc/84/70/85/460847085.db2.gz CBXWBNKTQVUZMM-DOMZBBRYSA-N 2 1 342.361 3.401 20 0 EGADMP COc1ccc2oc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)cc2c1 ZINC000629652812 460847209 /nfs/dbraw/zinc/84/72/09/460847209.db2.gz CBXWBNKTQVUZMM-IUODEOHRSA-N 2 1 342.361 3.401 20 0 EGADMP COc1ccc2oc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)cc2c1 ZINC000629652812 460847212 /nfs/dbraw/zinc/84/72/12/460847212.db2.gz CBXWBNKTQVUZMM-IUODEOHRSA-N 2 1 342.361 3.401 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCCc2ccc3c(c2)CCO3)CC[C@@H]1C(F)(F)F ZINC000629656382 460851206 /nfs/dbraw/zinc/85/12/06/460851206.db2.gz NYPZQNGLRUBYRH-HOTGVXAUSA-N 2 1 342.405 3.013 20 0 EGADMP C[N@@H+](CCOCC[NH3+])CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000629666538 460856397 /nfs/dbraw/zinc/85/63/97/460856397.db2.gz SBRQIBIKEAHSFZ-UHFFFAOYSA-N 2 1 334.410 3.004 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000624121563 460871002 /nfs/dbraw/zinc/87/10/02/460871002.db2.gz YBLGAUAHTXZHSH-ZWKOTPCHSA-N 3 1 333.520 3.010 20 0 EGADMP C[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000624121563 460871011 /nfs/dbraw/zinc/87/10/11/460871011.db2.gz YBLGAUAHTXZHSH-ZWKOTPCHSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000624121563 460871020 /nfs/dbraw/zinc/87/10/20/460871020.db2.gz YBLGAUAHTXZHSH-ZWKOTPCHSA-N 2 1 333.520 3.010 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)CC3 ZINC000624121836 460871302 /nfs/dbraw/zinc/87/13/02/460871302.db2.gz DPIPUGPHHNRIHP-HOTGVXAUSA-N 2 1 341.499 3.355 20 0 EGADMP C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ncc(Br)cc1F ZINC000624123448 460872777 /nfs/dbraw/zinc/87/27/77/460872777.db2.gz MASPYHVBNLZFAU-VXGBXAGGSA-N 2 1 344.272 3.366 20 0 EGADMP C[NH+]1CCN(Cc2ccccc2-c2cccc([C@@H]3CC[NH2+]C3)c2)CC1 ZINC000629735379 460897506 /nfs/dbraw/zinc/89/75/06/460897506.db2.gz UIVUVZRZUQDXJF-HXUWFJFHSA-N 2 1 335.495 3.178 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000624288649 460946248 /nfs/dbraw/zinc/94/62/48/460946248.db2.gz UBWOUPVYXVFQDZ-MRXNPFEDSA-N 2 1 331.287 3.491 20 0 EGADMP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3CC[N@@H+]3C3CCCC3)cccc21 ZINC000635873008 460957729 /nfs/dbraw/zinc/95/77/29/460957729.db2.gz SEOPVFFQOKZLBP-MSOLQXFVSA-N 2 1 343.471 3.027 20 0 EGADMP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3CC[N@H+]3C3CCCC3)cccc21 ZINC000635873008 460957731 /nfs/dbraw/zinc/95/77/31/460957731.db2.gz SEOPVFFQOKZLBP-MSOLQXFVSA-N 2 1 343.471 3.027 20 0 EGADMP CCOc1cncc(CN[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000621340438 460996604 /nfs/dbraw/zinc/99/66/04/460996604.db2.gz FBSBARFRZKITRV-QFBILLFUSA-N 2 1 325.456 3.233 20 0 EGADMP CCOc1cncc(CN[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000621340438 460996612 /nfs/dbraw/zinc/99/66/12/460996612.db2.gz FBSBARFRZKITRV-QFBILLFUSA-N 2 1 325.456 3.233 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)c(Br)cn2)C[C@H]1C ZINC000628183224 461035079 /nfs/dbraw/zinc/03/50/79/461035079.db2.gz UPRISHQOYQVXLQ-UKRRQHHQSA-N 2 1 340.309 3.457 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(C)c(Br)cn2)C[C@@H]1C ZINC000628183225 461036688 /nfs/dbraw/zinc/03/66/88/461036688.db2.gz UPRISHQOYQVXLQ-ZFWWWQNUSA-N 2 1 340.309 3.457 20 0 EGADMP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]Cc3cnc4ccccc4n3)C2)cc1 ZINC000628211581 461049778 /nfs/dbraw/zinc/04/97/78/461049778.db2.gz JTUAQVKIAUEBFZ-IBGZPJMESA-N 2 1 346.478 3.284 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]Cc3cnc4ccccc4n3)C2)cc1 ZINC000628211581 461049782 /nfs/dbraw/zinc/04/97/82/461049782.db2.gz JTUAQVKIAUEBFZ-IBGZPJMESA-N 2 1 346.478 3.284 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+](C)C1CC[NH+](C(C)C)CC1)CC2 ZINC000637889398 461105213 /nfs/dbraw/zinc/10/52/13/461105213.db2.gz OPWPWQKRTQEQCK-GOSISDBHSA-N 2 1 332.488 3.496 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@@H+](C)C1CC[NH+](C(C)C)CC1)CC2 ZINC000637889398 461105218 /nfs/dbraw/zinc/10/52/18/461105218.db2.gz OPWPWQKRTQEQCK-GOSISDBHSA-N 2 1 332.488 3.496 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)on3)C2)C1 ZINC000652349166 461141342 /nfs/dbraw/zinc/14/13/42/461141342.db2.gz DAKAITUSFFSBJT-SCTDSRPQSA-N 2 1 341.455 3.060 20 0 EGADMP CCCCc1nc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000652348558 461141489 /nfs/dbraw/zinc/14/14/89/461141489.db2.gz IDUUODAFNMMTTN-ZMSDIMECSA-N 2 1 337.533 3.204 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000652349290 461142849 /nfs/dbraw/zinc/14/28/49/461142849.db2.gz JHYYIXCQGNZYFX-SRCQZFHVSA-N 2 1 326.843 3.197 20 0 EGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652349679 461144367 /nfs/dbraw/zinc/14/43/67/461144367.db2.gz YVZJZQPALMYTNU-JCKWVBRZSA-N 2 1 338.879 3.067 20 0 EGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652349678 461144489 /nfs/dbraw/zinc/14/44/89/461144489.db2.gz YVZJZQPALMYTNU-DHSIGJKJSA-N 2 1 338.879 3.067 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ncc(-c3cccs3)o2)C1 ZINC000652362529 461154051 /nfs/dbraw/zinc/15/40/51/461154051.db2.gz JCRDYJIFJXUMOT-RBSFLKMASA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ncc(-c3cccs3)o2)C1 ZINC000652362529 461154058 /nfs/dbraw/zinc/15/40/58/461154058.db2.gz JCRDYJIFJXUMOT-RBSFLKMASA-N 2 1 347.484 3.264 20 0 EGADMP CCCCc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000652363174 461157110 /nfs/dbraw/zinc/15/71/10/461157110.db2.gz ZNFFWRVUEWBNPB-UAGQMJEPSA-N 2 1 337.533 3.347 20 0 EGADMP CCCCc1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000652363174 461157119 /nfs/dbraw/zinc/15/71/19/461157119.db2.gz ZNFFWRVUEWBNPB-UAGQMJEPSA-N 2 1 337.533 3.347 20 0 EGADMP Fc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000662273790 461160843 /nfs/dbraw/zinc/16/08/43/461160843.db2.gz PDLXJRDHGYASBQ-STQMWFEESA-N 2 1 328.378 3.249 20 0 EGADMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1Cl ZINC000662283757 461165649 /nfs/dbraw/zinc/16/56/49/461165649.db2.gz KMUABLDALMZSTI-BFYDXBDKSA-N 2 1 338.879 3.209 20 0 EGADMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1Cl ZINC000662283760 461165694 /nfs/dbraw/zinc/16/56/94/461165694.db2.gz KMUABLDALMZSTI-ZMSDIMECSA-N 2 1 338.879 3.209 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000668194625 461171629 /nfs/dbraw/zinc/17/16/29/461171629.db2.gz LBUVNQOCQSJGGE-PXNSSMCTSA-N 2 1 332.488 3.018 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000668194625 461171636 /nfs/dbraw/zinc/17/16/36/461171636.db2.gz LBUVNQOCQSJGGE-PXNSSMCTSA-N 2 1 332.488 3.018 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000668194625 461171644 /nfs/dbraw/zinc/17/16/44/461171644.db2.gz LBUVNQOCQSJGGE-PXNSSMCTSA-N 2 1 332.488 3.018 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000668194625 461171649 /nfs/dbraw/zinc/17/16/49/461171649.db2.gz LBUVNQOCQSJGGE-PXNSSMCTSA-N 2 1 332.488 3.018 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313019 461184943 /nfs/dbraw/zinc/18/49/43/461184943.db2.gz FUPCTAXNNGRVQQ-RHSMWYFYSA-N 2 1 337.895 3.426 20 0 EGADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000662381633 461224125 /nfs/dbraw/zinc/22/41/25/461224125.db2.gz YLYOPROHIRIDLR-CTNGQTDRSA-N 2 1 349.478 3.002 20 0 EGADMP CC(C)CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000638111333 461244857 /nfs/dbraw/zinc/24/48/57/461244857.db2.gz DUFXGOLVPLHCHB-HOJAQTOUSA-N 2 1 345.531 3.261 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662458943 461252113 /nfs/dbraw/zinc/25/21/13/461252113.db2.gz AOCXGDYUGJRCEJ-DLBZAZTESA-N 2 1 341.499 3.016 20 0 EGADMP c1ccc2sc(CC[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)nc2c1 ZINC000655682801 461359400 /nfs/dbraw/zinc/35/94/00/461359400.db2.gz KKKAXWQCTZUOIW-INIZCTEOSA-N 2 1 345.512 3.072 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000668631005 461364162 /nfs/dbraw/zinc/36/41/62/461364162.db2.gz MVDREGGRRWZVJV-FPOVZHCZSA-N 2 1 346.515 3.408 20 0 EGADMP CCCCOc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655693975 461368362 /nfs/dbraw/zinc/36/83/62/461368362.db2.gz BPTNJWLRGGDRTD-HXUWFJFHSA-N 2 1 346.515 3.251 20 0 EGADMP FC(F)(F)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655697883 461369003 /nfs/dbraw/zinc/36/90/03/461369003.db2.gz RQDVXUZNSNXASM-MRXNPFEDSA-N 2 1 328.378 3.048 20 0 EGADMP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1cccc2ccccc21 ZINC000641809996 461383111 /nfs/dbraw/zinc/38/31/11/461383111.db2.gz ZJZDSTJPKSMDHA-SPLQCWDRSA-N 2 1 339.483 3.121 20 0 EGADMP FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655720727 461388479 /nfs/dbraw/zinc/38/84/79/461388479.db2.gz DWQGCJUGQYLUQB-IIAWOOMASA-N 2 1 334.426 3.198 20 0 EGADMP c1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc(OC2CCCC2)c1 ZINC000655725771 461395378 /nfs/dbraw/zinc/39/53/78/461395378.db2.gz YKVYZDFPVRMIGB-IBGZPJMESA-N 2 1 344.499 3.351 20 0 EGADMP Cn1c2ccc(NC3CC[NH+]([C@H]4CCOC4)CC3)cc2[nH+]c1C1CC1 ZINC000655752891 461418638 /nfs/dbraw/zinc/41/86/38/461418638.db2.gz QSEHVSYIEMOFID-KRWDZBQOSA-N 2 1 340.471 3.116 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)[C@]12CCCO2 ZINC000638435759 461427360 /nfs/dbraw/zinc/42/73/60/461427360.db2.gz XVLSYLHROZNGAC-PWRODBHTSA-N 2 1 346.515 3.343 20 0 EGADMP Fc1ccccc1[C@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655764994 461430233 /nfs/dbraw/zinc/43/02/33/461430233.db2.gz WRVTYJHHXUPWNY-KBAYOESNSA-N 2 1 332.463 3.305 20 0 EGADMP CSc1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655764825 461430960 /nfs/dbraw/zinc/43/09/60/461430960.db2.gz SHVDIMVDKLLNEC-GOSISDBHSA-N 2 1 334.529 3.184 20 0 EGADMP Fc1cccc(C2([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCC2)c1 ZINC000655779137 461442390 /nfs/dbraw/zinc/44/23/90/461442390.db2.gz CWRRWERWDJXKJJ-IBGZPJMESA-N 2 1 332.463 3.438 20 0 EGADMP Nc1c(F)cccc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000638522136 461466481 /nfs/dbraw/zinc/46/64/81/461466481.db2.gz XPCLIFHFCPFBER-QGZVFWFLSA-N 2 1 327.447 3.062 20 0 EGADMP Nc1c(F)cccc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000638522136 461466485 /nfs/dbraw/zinc/46/64/85/461466485.db2.gz XPCLIFHFCPFBER-QGZVFWFLSA-N 2 1 327.447 3.062 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638567486 461488529 /nfs/dbraw/zinc/48/85/29/461488529.db2.gz MWKAAIFQJLRVKQ-PZJWPPBQSA-N 3 1 327.516 3.286 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638567486 461488536 /nfs/dbraw/zinc/48/85/36/461488536.db2.gz MWKAAIFQJLRVKQ-PZJWPPBQSA-N 3 1 327.516 3.286 20 0 EGADMP C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638587425 461495215 /nfs/dbraw/zinc/49/52/15/461495215.db2.gz CKXMLQISTJQCFT-YFVAEKQCSA-N 2 1 327.516 3.286 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638587425 461495222 /nfs/dbraw/zinc/49/52/22/461495222.db2.gz CKXMLQISTJQCFT-YFVAEKQCSA-N 2 1 327.516 3.286 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638587425 461495228 /nfs/dbraw/zinc/49/52/28/461495228.db2.gz CKXMLQISTJQCFT-YFVAEKQCSA-N 2 1 327.516 3.286 20 0 EGADMP c1ccc(CC[NH+]2CCC(N[C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000655850299 461498575 /nfs/dbraw/zinc/49/85/75/461498575.db2.gz UIDNJOOBWNJXSO-FCHUYYIVSA-N 2 1 341.543 3.300 20 0 EGADMP CCC(CC)(C[NH2+][C@H]1CCCNC(=O)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000638638367 461513834 /nfs/dbraw/zinc/51/38/34/461513834.db2.gz CNRWIFBIEJQJNC-WMZOPIPTSA-N 2 1 331.504 3.154 20 0 EGADMP Fc1cccc(C[N@H+]2CCC[C@H](c3nc([C@@H]4CCC[NH2+]4)no3)C2)c1 ZINC000647151798 461528648 /nfs/dbraw/zinc/52/86/48/461528648.db2.gz PLICPGSXWPLXSS-HOCLYGCPSA-N 2 1 330.407 3.013 20 0 EGADMP CCCCC[N@@H+](CCNC(=O)[C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000653200844 461554277 /nfs/dbraw/zinc/55/42/77/461554277.db2.gz RRLZOFFTYRZYNI-FQEVSTJZSA-N 2 1 345.531 3.185 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCCO[C@@H]3CCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000638741082 461556477 /nfs/dbraw/zinc/55/64/77/461556477.db2.gz DDMPSHDBNMTFMK-TYPHKJRUSA-N 2 1 344.499 3.140 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCCO[C@@H]3CCOC3)CC[N@H+]2C2CC2)cc1 ZINC000638741082 461556488 /nfs/dbraw/zinc/55/64/88/461556488.db2.gz DDMPSHDBNMTFMK-TYPHKJRUSA-N 2 1 344.499 3.140 20 0 EGADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642713077 461559414 /nfs/dbraw/zinc/55/94/14/461559414.db2.gz GPQQXKCRPBWRSQ-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000663343831 461570286 /nfs/dbraw/zinc/57/02/86/461570286.db2.gz GMOLHMLAVHQREL-XLIONFOSSA-N 2 1 328.500 3.264 20 0 EGADMP Fc1ccc(-n2nccc2C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663344075 461571283 /nfs/dbraw/zinc/57/12/83/461571283.db2.gz NJZNGMQGAZJPHP-QGZVFWFLSA-N 2 1 342.462 3.223 20 0 EGADMP Fc1ccc(-n2nccc2C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663344075 461571294 /nfs/dbraw/zinc/57/12/94/461571294.db2.gz NJZNGMQGAZJPHP-QGZVFWFLSA-N 2 1 342.462 3.223 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663346253 461575937 /nfs/dbraw/zinc/57/59/37/461575937.db2.gz RPSALUFRWBZMQT-STZQEDGTSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346253 461575946 /nfs/dbraw/zinc/57/59/46/461575946.db2.gz RPSALUFRWBZMQT-STZQEDGTSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346253 461575956 /nfs/dbraw/zinc/57/59/56/461575956.db2.gz RPSALUFRWBZMQT-STZQEDGTSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346253 461575961 /nfs/dbraw/zinc/57/59/61/461575961.db2.gz RPSALUFRWBZMQT-STZQEDGTSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346253 461575972 /nfs/dbraw/zinc/57/59/72/461575972.db2.gz RPSALUFRWBZMQT-STZQEDGTSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347232 461577112 /nfs/dbraw/zinc/57/71/12/461577112.db2.gz HPERBCHHCFXGHA-AEFFLSMTSA-N 2 1 329.488 3.115 20 0 EGADMP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663346971 461578008 /nfs/dbraw/zinc/57/80/08/461578008.db2.gz DJHKVKNJKNOGMC-SFHVURJKSA-N 2 1 332.488 3.306 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@@H]1n1ccnc1 ZINC000660112296 461585741 /nfs/dbraw/zinc/58/57/41/461585741.db2.gz JOKHCUQDQFNHME-SQNIBIBYSA-N 2 1 346.519 3.051 20 0 EGADMP CN(C(=O)CC[NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000663357401 461585913 /nfs/dbraw/zinc/58/59/13/461585913.db2.gz MRUJWXPBMBYSOF-UHFFFAOYSA-N 2 1 339.483 3.151 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCc1nsc2ccccc21 ZINC000660117133 461590381 /nfs/dbraw/zinc/59/03/81/461590381.db2.gz MNQLTGVPYGNHBH-FHLIZLRMSA-N 2 1 345.512 3.022 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCc1nsc2ccccc21 ZINC000660117133 461590391 /nfs/dbraw/zinc/59/03/91/461590391.db2.gz MNQLTGVPYGNHBH-FHLIZLRMSA-N 2 1 345.512 3.022 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1CNc1cc(CO)cc(C)[nH+]1 ZINC000663390588 461610886 /nfs/dbraw/zinc/61/08/86/461610886.db2.gz POMJWRCUURKKKX-UHFFFAOYSA-N 2 1 343.471 3.215 20 0 EGADMP CCNC(=O)[C@@H](C)NC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638846868 461614418 /nfs/dbraw/zinc/61/44/18/461614418.db2.gz FQWNDUGMKHRISY-UTKZUKDTSA-N 2 1 345.531 3.039 20 0 EGADMP CCNC(=O)[C@@H](C)[NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638846868 461614431 /nfs/dbraw/zinc/61/44/31/461614431.db2.gz FQWNDUGMKHRISY-UTKZUKDTSA-N 2 1 345.531 3.039 20 0 EGADMP CCNC(=O)[C@@H](C)[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638846868 461614437 /nfs/dbraw/zinc/61/44/37/461614437.db2.gz FQWNDUGMKHRISY-UTKZUKDTSA-N 2 1 345.531 3.039 20 0 EGADMP CC(C)n1nccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631195664 461633589 /nfs/dbraw/zinc/63/35/89/461633589.db2.gz IVVBQXCWIYBDME-IEBWSBKVSA-N 2 1 326.488 3.322 20 0 EGADMP CC(C)n1nccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631195664 461633601 /nfs/dbraw/zinc/63/36/01/461633601.db2.gz IVVBQXCWIYBDME-IEBWSBKVSA-N 2 1 326.488 3.322 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000660254978 461667868 /nfs/dbraw/zinc/66/78/68/461667868.db2.gz WTIPDHHXMWRUAS-ZWKOTPCHSA-N 2 1 332.513 3.323 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000660254978 461667872 /nfs/dbraw/zinc/66/78/72/461667872.db2.gz WTIPDHHXMWRUAS-ZWKOTPCHSA-N 2 1 332.513 3.323 20 0 EGADMP OCC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCCC1 ZINC000639057365 461697695 /nfs/dbraw/zinc/69/76/95/461697695.db2.gz ZTHKIXLVIRYMLI-AZUAARDMSA-N 2 1 328.500 3.497 20 0 EGADMP OCC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCCC1 ZINC000639057365 461697703 /nfs/dbraw/zinc/69/77/03/461697703.db2.gz ZTHKIXLVIRYMLI-AZUAARDMSA-N 2 1 328.500 3.497 20 0 EGADMP Cc1nc2c(n1[C@@H]1CC[N@H+]([C@H](C)c3cnc(C)nc3C)C1)CCCC2 ZINC000639076824 461709853 /nfs/dbraw/zinc/70/98/53/461709853.db2.gz RHSVBOCQAJTBPM-RHSMWYFYSA-N 2 1 339.487 3.485 20 0 EGADMP COc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1OC(F)F ZINC000647482930 461729761 /nfs/dbraw/zinc/72/97/61/461729761.db2.gz KNYNWMMQIUELKV-UHFFFAOYSA-N 2 1 326.387 3.013 20 0 EGADMP COc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1OC(F)F ZINC000647482930 461729768 /nfs/dbraw/zinc/72/97/68/461729768.db2.gz KNYNWMMQIUELKV-UHFFFAOYSA-N 2 1 326.387 3.013 20 0 EGADMP CC(C)c1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)on1 ZINC000643455255 461730939 /nfs/dbraw/zinc/73/09/39/461730939.db2.gz QEFRJIQNTCAYJP-HKUYNNGSSA-N 2 1 327.428 3.144 20 0 EGADMP CC[C@H]1C[N@H+](Cc2ccccc2OCc2cccnc2)CC[C@@H]1[NH3+] ZINC000647497664 461736699 /nfs/dbraw/zinc/73/66/99/461736699.db2.gz PPOXVJKJFPATTJ-HKUYNNGSSA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccccc2OCc2cccnc2)CC[C@@H]1[NH3+] ZINC000647497664 461736702 /nfs/dbraw/zinc/73/67/02/461736702.db2.gz PPOXVJKJFPATTJ-HKUYNNGSSA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@@H]1C[N@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)CC[C@H]1[NH3+] ZINC000647497476 461736887 /nfs/dbraw/zinc/73/68/87/461736887.db2.gz JGLFYMXCNDCVEW-RDTXWAMCSA-N 2 1 348.441 3.327 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)CC[C@H]1[NH3+] ZINC000647497476 461736891 /nfs/dbraw/zinc/73/68/91/461736891.db2.gz JGLFYMXCNDCVEW-RDTXWAMCSA-N 2 1 348.441 3.327 20 0 EGADMP CC[C@@H]1C[N@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)CC[C@@H]1[NH3+] ZINC000647497474 461736940 /nfs/dbraw/zinc/73/69/40/461736940.db2.gz JGLFYMXCNDCVEW-KDOFPFPSSA-N 2 1 348.441 3.327 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)CC[C@@H]1[NH3+] ZINC000647497474 461736944 /nfs/dbraw/zinc/73/69/44/461736944.db2.gz JGLFYMXCNDCVEW-KDOFPFPSSA-N 2 1 348.441 3.327 20 0 EGADMP C[C@@H](Nc1[nH+]ccc2[nH]ccc21)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000663654240 461738174 /nfs/dbraw/zinc/73/81/74/461738174.db2.gz FQAPPOZLOCKSKM-DNVCBOLYSA-N 2 1 336.439 3.264 20 0 EGADMP C[C@@H](Nc1[nH+]ccc2[nH]ccc21)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000663654240 461738180 /nfs/dbraw/zinc/73/81/80/461738180.db2.gz FQAPPOZLOCKSKM-DNVCBOLYSA-N 2 1 336.439 3.264 20 0 EGADMP [NH3+]CC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000643480295 461742630 /nfs/dbraw/zinc/74/26/30/461742630.db2.gz SMYUUNAQQRBJNS-JNXFOVNBSA-N 3 1 341.543 3.394 20 0 EGADMP CC[NH2+]CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000643499098 461747336 /nfs/dbraw/zinc/74/73/36/461747336.db2.gz SWRFQXHTLPGSJC-HOTGVXAUSA-N 2 1 341.293 3.258 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)s2)cn1 ZINC000647542671 461755170 /nfs/dbraw/zinc/75/51/70/461755170.db2.gz AAJFYBPPAYNARY-HZPDHXFCSA-N 2 1 344.528 3.360 20 0 EGADMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(-c2cccs2)n1 ZINC000647543502 461756220 /nfs/dbraw/zinc/75/62/20/461756220.db2.gz OKRCDKNFSWSMOG-HOTGVXAUSA-N 2 1 344.528 3.360 20 0 EGADMP c1[nH]c2ncncc2c1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000639162279 461775906 /nfs/dbraw/zinc/77/59/06/461775906.db2.gz ROKIQOVVYPTUTD-NRFANRHFSA-N 2 1 347.466 3.008 20 0 EGADMP c1[nH]c2ncncc2c1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000639162279 461775912 /nfs/dbraw/zinc/77/59/12/461775912.db2.gz ROKIQOVVYPTUTD-NRFANRHFSA-N 2 1 347.466 3.008 20 0 EGADMP c1[nH]c2ncncc2c1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639162279 461775917 /nfs/dbraw/zinc/77/59/17/461775917.db2.gz ROKIQOVVYPTUTD-NRFANRHFSA-N 2 1 347.466 3.008 20 0 EGADMP c1[nH]c2ncncc2c1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639162279 461775922 /nfs/dbraw/zinc/77/59/22/461775922.db2.gz ROKIQOVVYPTUTD-NRFANRHFSA-N 2 1 347.466 3.008 20 0 EGADMP c1ccc(C2=CCC[N@H+](Cc3cccc(CN4CCOCC4)c3)C2)nc1 ZINC000653702005 461815000 /nfs/dbraw/zinc/81/50/00/461815000.db2.gz MWDCXIOFWKBRDR-UHFFFAOYSA-N 2 1 349.478 3.203 20 0 EGADMP CCCOc1ccc(Br)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666855457 461837887 /nfs/dbraw/zinc/83/78/87/461837887.db2.gz SKLSIAMSRYKGFU-HNNXBMFYSA-N 2 1 341.293 3.470 20 0 EGADMP FC(F)(F)COc1ccccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815307 461849909 /nfs/dbraw/zinc/84/99/09/461849909.db2.gz YNFBNMBVBOAJPR-UHFFFAOYSA-N 2 1 328.378 3.344 20 0 EGADMP FC(F)(F)COc1ccccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815307 461849914 /nfs/dbraw/zinc/84/99/14/461849914.db2.gz YNFBNMBVBOAJPR-UHFFFAOYSA-N 2 1 328.378 3.344 20 0 EGADMP Clc1ccc(-c2noc(CC[N@H+](C3CC3)C3CC[NH2+]CC3)n2)cc1 ZINC000647815270 461849966 /nfs/dbraw/zinc/84/99/66/461849966.db2.gz WXGBJWXLMDPLQM-UHFFFAOYSA-N 2 1 346.862 3.149 20 0 EGADMP Clc1ccc(-c2noc(CC[N@@H+](C3CC3)C3CC[NH2+]CC3)n2)cc1 ZINC000647815270 461849973 /nfs/dbraw/zinc/84/99/73/461849973.db2.gz WXGBJWXLMDPLQM-UHFFFAOYSA-N 2 1 346.862 3.149 20 0 EGADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000639318488 461857692 /nfs/dbraw/zinc/85/76/92/461857692.db2.gz ZPGQOYYSZWCMJT-UHFFFAOYSA-N 2 1 331.287 3.318 20 0 EGADMP Cc1cc(CO)cc(NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)[nH+]1 ZINC000647856553 461860496 /nfs/dbraw/zinc/86/04/96/461860496.db2.gz HWCQULXUPDYGTP-KRWDZBQOSA-N 2 1 339.483 3.291 20 0 EGADMP Cc1cc(CO)cc(NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)[nH+]1 ZINC000647856553 461860500 /nfs/dbraw/zinc/86/05/00/461860500.db2.gz HWCQULXUPDYGTP-KRWDZBQOSA-N 2 1 339.483 3.291 20 0 EGADMP Clc1ccc2ncc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2c1 ZINC000656786987 461897053 /nfs/dbraw/zinc/89/70/53/461897053.db2.gz ZAACXSDBRICUKM-HNNXBMFYSA-N 2 1 332.879 3.199 20 0 EGADMP Cn1c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)nc2cc(Cl)ccc21 ZINC000656787492 461897788 /nfs/dbraw/zinc/89/77/88/461897788.db2.gz ZJJJRBRPOZXSNY-OAHLLOKOSA-N 2 1 346.906 3.438 20 0 EGADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cnc21 ZINC000656786981 461898665 /nfs/dbraw/zinc/89/86/65/461898665.db2.gz YWZAVAWJMHXCFB-GOSISDBHSA-N 2 1 341.503 3.224 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000650706299 461900460 /nfs/dbraw/zinc/90/04/60/461900460.db2.gz ICYJZOKORRPALS-CPUCHLNUSA-N 2 1 326.843 3.197 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000650708056 461902159 /nfs/dbraw/zinc/90/21/59/461902159.db2.gz SQNAEQISYOTGRJ-FRFSOERESA-N 2 1 326.843 3.197 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C/C=C\c3ccc(F)cc3F)C2)C1 ZINC000650707608 461902364 /nfs/dbraw/zinc/90/23/64/461902364.db2.gz JGAFJUVIEZGDFX-ZVUUWWJPSA-N 2 1 336.426 3.196 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)[C@H]1CC[NH3+] ZINC000650711080 461905776 /nfs/dbraw/zinc/90/57/76/461905776.db2.gz HPFKNZMBOZMOJS-QAPCUYQASA-N 2 1 326.444 3.218 20 0 EGADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654853 461905870 /nfs/dbraw/zinc/90/58/70/461905870.db2.gz IJROGBNYFTVERJ-KBXCAEBGSA-N 2 1 335.879 3.085 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000660655258 461905930 /nfs/dbraw/zinc/90/59/30/461905930.db2.gz LLKGPVKDCLJEPV-NQIIRXRSSA-N 2 1 343.515 3.357 20 0 EGADMP C[NH+](C)C1(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000667002544 461908393 /nfs/dbraw/zinc/90/83/93/461908393.db2.gz QTGSKCPFTKMKNH-UHFFFAOYSA-N 2 1 343.515 3.162 20 0 EGADMP Clc1cccc(-c2noc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000647970620 461913207 /nfs/dbraw/zinc/91/32/07/461913207.db2.gz FSGRXWPNIGJBIF-OAHLLOKOSA-N 2 1 346.862 3.212 20 0 EGADMP CC(C)(C)c1ncc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650723573 461916545 /nfs/dbraw/zinc/91/65/45/461916545.db2.gz QIEVEBUDCWCJML-IMJJTQAJSA-N 2 1 337.533 3.301 20 0 EGADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975427 461916744 /nfs/dbraw/zinc/91/67/44/461916744.db2.gz AFWQPZAKEKZRSG-KSZLIROESA-N 2 1 329.488 3.034 20 0 EGADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976566 461918319 /nfs/dbraw/zinc/91/83/19/461918319.db2.gz QDVXFRGERBTJDP-OTWHNJEPSA-N 2 1 343.515 3.342 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647977336 461918771 /nfs/dbraw/zinc/91/87/71/461918771.db2.gz AAGYQOHCLXNMRH-OTWHNJEPSA-N 2 1 343.515 3.342 20 0 EGADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976407 461919055 /nfs/dbraw/zinc/91/90/55/461919055.db2.gz NZISQIOBFCMWLB-GVDBMIGSSA-N 2 1 347.478 3.173 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CCC(=O)Nc2ccccc2F)C1 ZINC000644521945 461968122 /nfs/dbraw/zinc/96/81/22/461968122.db2.gz INOXYBBUMCOCTN-MRXNPFEDSA-N 2 1 335.467 3.256 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2F)C1 ZINC000644603672 462006791 /nfs/dbraw/zinc/00/67/91/462006791.db2.gz PZMYTAIGWSFHSV-INIZCTEOSA-N 2 1 335.467 3.112 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000644638138 462017883 /nfs/dbraw/zinc/01/78/83/462017883.db2.gz VBFNUTUSUQQLGX-HSALFYBXSA-N 2 1 344.886 3.278 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000644638138 462017892 /nfs/dbraw/zinc/01/78/92/462017892.db2.gz VBFNUTUSUQQLGX-HSALFYBXSA-N 2 1 344.886 3.278 20 0 EGADMP CCOc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c(C)c1 ZINC000657385404 462087813 /nfs/dbraw/zinc/08/78/13/462087813.db2.gz VRVZZDGZJWAVQH-UHFFFAOYSA-N 2 1 334.504 3.373 20 0 EGADMP COc1cccc(C[N@@H+](Cc2cnc(C)n2C)C2CCC(O)CC2)c1 ZINC000667585765 462159282 /nfs/dbraw/zinc/15/92/82/462159282.db2.gz ARLZCRQOVXKNIH-UHFFFAOYSA-N 2 1 343.471 3.043 20 0 EGADMP COc1cccc(CN(Cc2cnc(C)n2C)C2CCC(O)CC2)c1 ZINC000667585765 462159288 /nfs/dbraw/zinc/15/92/88/462159288.db2.gz ARLZCRQOVXKNIH-UHFFFAOYSA-N 2 1 343.471 3.043 20 0 EGADMP Clc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000657538874 462173635 /nfs/dbraw/zinc/17/36/35/462173635.db2.gz XRWCANBPBPXALZ-BRWVUGGUSA-N 2 1 333.907 3.383 20 0 EGADMP c1cc(O[C@H]2CCOC2)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000667671334 462204681 /nfs/dbraw/zinc/20/46/81/462204681.db2.gz PBNOVSKATOGGMB-FPOVZHCZSA-N 2 1 344.499 3.162 20 0 EGADMP c1cc(O[C@H]2CCOC2)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000667671334 462204686 /nfs/dbraw/zinc/20/46/86/462204686.db2.gz PBNOVSKATOGGMB-FPOVZHCZSA-N 2 1 344.499 3.162 20 0 EGADMP COc1cc(OC)c(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1F ZINC000651678345 462300231 /nfs/dbraw/zinc/30/02/31/462300231.db2.gz MEOLAPYYWXFLIG-HNNXBMFYSA-N 2 1 338.467 3.445 20 0 EGADMP C[NH+](C)[C@H](CC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000667945110 462337872 /nfs/dbraw/zinc/33/78/72/462337872.db2.gz IBYVYKXDBLZHRU-GOSISDBHSA-N 2 1 331.504 3.012 20 0 EGADMP [NH3+]C1(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000665248032 462367023 /nfs/dbraw/zinc/36/70/23/462367023.db2.gz NTMCGROYDKCQGU-SLFFLAALSA-N 2 1 327.516 3.148 20 0 EGADMP CCCN(C(=O)c1ccc(C[NH+](CC)C(C)C)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000649001990 462367506 /nfs/dbraw/zinc/36/75/06/462367506.db2.gz YZCAKGVJDQUNKT-FQEVSTJZSA-N 2 1 345.531 3.473 20 0 EGADMP CCCN(C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)[C@H]1CC[NH+](C)C1 ZINC000649001990 462367510 /nfs/dbraw/zinc/36/75/10/462367510.db2.gz YZCAKGVJDQUNKT-FQEVSTJZSA-N 2 1 345.531 3.473 20 0 EGADMP CCCN(C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1)[C@H]1CC[NH+](C)C1 ZINC000649001990 462367520 /nfs/dbraw/zinc/36/75/20/462367520.db2.gz YZCAKGVJDQUNKT-FQEVSTJZSA-N 2 1 345.531 3.473 20 0 EGADMP CC[N@@H+](CCCNCc1ccc2c(c1)nnn2C)C1CCCCC1 ZINC000651910051 462376508 /nfs/dbraw/zinc/37/65/08/462376508.db2.gz FQMDQWIEGFZRMH-UHFFFAOYSA-N 2 1 329.492 3.103 20 0 EGADMP CC[N@H+](CCC[NH2+]Cc1ccc2c(c1)nnn2C)C1CCCCC1 ZINC000651910051 462376513 /nfs/dbraw/zinc/37/65/13/462376513.db2.gz FQMDQWIEGFZRMH-UHFFFAOYSA-N 2 1 329.492 3.103 20 0 EGADMP CC[N@@H+](CCC[NH2+]Cc1ccc2c(c1)nnn2C)C1CCCCC1 ZINC000651910051 462376518 /nfs/dbraw/zinc/37/65/18/462376518.db2.gz FQMDQWIEGFZRMH-UHFFFAOYSA-N 2 1 329.492 3.103 20 0 EGADMP C[C@@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000658090805 462379558 /nfs/dbraw/zinc/37/95/58/462379558.db2.gz JRLDQNABJAEXLX-AEFFLSMTSA-N 2 1 333.520 3.150 20 0 EGADMP C[C@@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000658090805 462379564 /nfs/dbraw/zinc/37/95/64/462379564.db2.gz JRLDQNABJAEXLX-AEFFLSMTSA-N 2 1 333.520 3.150 20 0 EGADMP c1ccc(CN2CCCO[C@@H](C[N@H+]3CC[C@H](C4CCC4)C3)C2)cc1 ZINC000665290026 462387781 /nfs/dbraw/zinc/38/77/81/462387781.db2.gz GBRMBLVVAJEPHF-LEWJYISDSA-N 2 1 328.500 3.400 20 0 EGADMP CCc1ccccc1NC(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531089 462430246 /nfs/dbraw/zinc/43/02/46/462430246.db2.gz DNACZWMZPNXDHV-UHFFFAOYSA-N 2 1 331.504 3.385 20 0 EGADMP CCc1ccccc1NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531089 462430251 /nfs/dbraw/zinc/43/02/51/462430251.db2.gz DNACZWMZPNXDHV-UHFFFAOYSA-N 2 1 331.504 3.385 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652154790 462454876 /nfs/dbraw/zinc/45/48/76/462454876.db2.gz OSDJXIYYXDMULV-BMFZPTHFSA-N 2 1 336.476 3.236 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652154790 462454879 /nfs/dbraw/zinc/45/48/79/462454879.db2.gz OSDJXIYYXDMULV-BMFZPTHFSA-N 2 1 336.476 3.236 20 0 EGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(OC)c(OC)c(OC)c1 ZINC000652204899 462471612 /nfs/dbraw/zinc/47/16/12/462471612.db2.gz GPOVEUPLYQTMRX-HMQMGEFJSA-N 2 1 348.487 3.378 20 0 EGADMP CCn1c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc2c1cccc2F ZINC000649417828 462504471 /nfs/dbraw/zinc/50/44/71/462504471.db2.gz KBLRSIKTCCRLCQ-CVEARBPZSA-N 2 1 344.478 3.407 20 0 EGADMP C[NH+](C)CCOc1cccc(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000649431468 462507299 /nfs/dbraw/zinc/50/72/99/462507299.db2.gz XZDJBHQIQFYEQF-UHFFFAOYSA-N 2 1 340.467 3.126 20 0 EGADMP C[C@H](CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1)C[NH+]1CCCC1 ZINC000165269490 534125212 /nfs/dbraw/zinc/12/52/12/534125212.db2.gz XKQLXKXNSWSTQM-QZTJIDSGSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(CO)o2)cc1 ZINC000174270659 534162414 /nfs/dbraw/zinc/16/24/14/534162414.db2.gz GDSNAAHHUDKGLU-MRXNPFEDSA-N 2 1 328.456 3.436 20 0 EGADMP OCC[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000188017607 534373819 /nfs/dbraw/zinc/37/38/19/534373819.db2.gz KOSFVPRLLNQKKB-ONUIULTDSA-N 2 1 328.500 3.038 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000184090399 534448288 /nfs/dbraw/zinc/44/82/88/534448288.db2.gz GBVZIHBIRREZLQ-JKIFEVAISA-N 2 1 346.450 3.127 20 0 EGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000178233794 534841522 /nfs/dbraw/zinc/84/15/22/534841522.db2.gz QARVUOWEEIYVJD-ZBFHGGJFSA-N 2 1 332.517 3.353 20 0 EGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000178233794 534841526 /nfs/dbraw/zinc/84/15/26/534841526.db2.gz QARVUOWEEIYVJD-ZBFHGGJFSA-N 2 1 332.517 3.353 20 0 EGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000154791778 527672960 /nfs/dbraw/zinc/67/29/60/527672960.db2.gz NESDPRRNCBNTMT-GPMSIDNRSA-N 2 1 331.504 3.490 20 0 EGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000154791778 527672963 /nfs/dbraw/zinc/67/29/63/527672963.db2.gz NESDPRRNCBNTMT-GPMSIDNRSA-N 2 1 331.504 3.490 20 0 EGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000154791665 527673010 /nfs/dbraw/zinc/67/30/10/527673010.db2.gz NESDPRRNCBNTMT-GJYPPUQNSA-N 2 1 331.504 3.490 20 0 EGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000154791665 527673012 /nfs/dbraw/zinc/67/30/12/527673012.db2.gz NESDPRRNCBNTMT-GJYPPUQNSA-N 2 1 331.504 3.490 20 0 EGADMP CC1(C)[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H]2CCCO[C@@H]21 ZINC000181681868 527828251 /nfs/dbraw/zinc/82/82/51/527828251.db2.gz GGFRYUYCONUYQQ-TUFLPTIASA-N 2 1 342.527 3.344 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC)C2)cc1)C(C)C ZINC000174470430 527834629 /nfs/dbraw/zinc/83/46/29/527834629.db2.gz PHGYNVRUYYNSDC-LJQANCHMSA-N 2 1 345.531 3.331 20 0 EGADMP CC[NH+](C)C[C@H]1CCN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)C1 ZINC000174470430 527834634 /nfs/dbraw/zinc/83/46/34/527834634.db2.gz PHGYNVRUYYNSDC-LJQANCHMSA-N 2 1 345.531 3.331 20 0 EGADMP CC[NH+](C)C[C@H]1CCN(C(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)C1 ZINC000174470430 527834639 /nfs/dbraw/zinc/83/46/39/527834639.db2.gz PHGYNVRUYYNSDC-LJQANCHMSA-N 2 1 345.531 3.331 20 0 EGADMP CCOc1cccc2cc([C@@H](C)[NH2+][C@@H](C)CN3CC[NH+](C)CC3)oc21 ZINC000181720985 528699246 /nfs/dbraw/zinc/69/92/46/528699246.db2.gz CJDZOXLLJXAYSG-JKSUJKDBSA-N 2 1 345.487 3.118 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000191514300 528865860 /nfs/dbraw/zinc/86/58/60/528865860.db2.gz KWLXJADORCLXKD-INIZCTEOSA-N 2 1 328.460 3.185 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000191514300 528865864 /nfs/dbraw/zinc/86/58/64/528865864.db2.gz KWLXJADORCLXKD-INIZCTEOSA-N 2 1 328.460 3.185 20 0 EGADMP CC(C)[C@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163949048 528970552 /nfs/dbraw/zinc/97/05/52/528970552.db2.gz SJYKIRWANNXXAX-KRWDZBQOSA-N 2 1 334.504 3.310 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000154485711 529143592 /nfs/dbraw/zinc/14/35/92/529143592.db2.gz SWXRWXIZDUGSTD-AWEZNQCLSA-N 2 1 343.437 3.172 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C(=O)N1CCCC1 ZINC000089724257 546647088 /nfs/dbraw/zinc/64/70/88/546647088.db2.gz WDRFNIIKUAPSSN-SXLOBPIMSA-N 2 1 349.563 3.266 20 0 EGADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H](CO)C(C)(C)C ZINC000093837545 546688154 /nfs/dbraw/zinc/68/81/54/546688154.db2.gz KJVDNGRKNPBNSQ-LJQANCHMSA-N 2 1 334.504 3.000 20 0 EGADMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000131540664 546805678 /nfs/dbraw/zinc/80/56/78/546805678.db2.gz RNRMZQYJEXNTGA-KRWDZBQOSA-N 2 1 338.904 3.471 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@H](C)C3CC[NH2+]CC3)c2C1 ZINC000166720792 546989506 /nfs/dbraw/zinc/98/95/06/546989506.db2.gz MHAJOXYBTZYKEB-HNNXBMFYSA-N 2 1 329.488 3.377 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@H](C)C3CC[NH2+]CC3)c2C1 ZINC000166720792 546989509 /nfs/dbraw/zinc/98/95/09/546989509.db2.gz MHAJOXYBTZYKEB-HNNXBMFYSA-N 2 1 329.488 3.377 20 0 EGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166635025 546989773 /nfs/dbraw/zinc/98/97/73/546989773.db2.gz AKLYJXBQJDUUGH-CEXWTWQISA-N 2 1 331.479 3.319 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4C[C@H]5CC[C@@H]4O5)[C@@H]3C2)cc1 ZINC000183142354 547089736 /nfs/dbraw/zinc/08/97/36/547089736.db2.gz MNGBZGVUMXZYQD-VXAANUECSA-N 2 1 326.484 3.197 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cnc(C)s2)[C@@H](C)C1 ZINC000245582008 547265717 /nfs/dbraw/zinc/26/57/17/547265717.db2.gz JOBLKHWUUFLESV-LZWOXQAQSA-N 2 1 325.522 3.239 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cnc(C)s2)[C@@H](C)C1 ZINC000245582008 547265721 /nfs/dbraw/zinc/26/57/21/547265721.db2.gz JOBLKHWUUFLESV-LZWOXQAQSA-N 2 1 325.522 3.239 20 0 EGADMP OCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000248445671 547299249 /nfs/dbraw/zinc/29/92/49/547299249.db2.gz CESUCOOTVHRDNV-XUVXKRRUSA-N 2 1 328.500 3.039 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000281250030 547376582 /nfs/dbraw/zinc/37/65/82/547376582.db2.gz NVQKEDXGUIISHH-QGZVFWFLSA-N 2 1 342.487 3.024 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2)CC1 ZINC000285758293 547389585 /nfs/dbraw/zinc/38/95/85/547389585.db2.gz RHSLUOKHHMJMEO-PZJWPPBQSA-N 2 1 329.532 3.486 20 0 EGADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC(F)F ZINC000339071406 547568623 /nfs/dbraw/zinc/56/86/23/547568623.db2.gz QZYSYCGLOCSAHU-CABCVRRESA-N 2 1 340.414 3.056 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)CC[N@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000339255686 547572741 /nfs/dbraw/zinc/57/27/41/547572741.db2.gz QQRMBBHGHCGBPO-DLBZAZTESA-N 2 1 335.492 3.043 20 0 EGADMP CCc1cc(N[C@@H](CC[N@H+](C)CCOC)c2ccccc2)nc(C)[nH+]1 ZINC000359724802 547754338 /nfs/dbraw/zinc/75/43/38/547754338.db2.gz MZSOXILAEROZDH-IBGZPJMESA-N 2 1 342.487 3.469 20 0 EGADMP CCc1cc(N[C@@H](CC[N@@H+](C)CCOC)c2ccccc2)nc(C)[nH+]1 ZINC000359724802 547754341 /nfs/dbraw/zinc/75/43/41/547754341.db2.gz MZSOXILAEROZDH-IBGZPJMESA-N 2 1 342.487 3.469 20 0 EGADMP c1ccc(CCCOc2cccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000479957616 547962700 /nfs/dbraw/zinc/96/27/00/547962700.db2.gz OZACWFIBWIPYHK-OYRHEFFESA-N 2 1 336.479 3.349 20 0 EGADMP c1ccc(CCCOc2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000479957616 547962709 /nfs/dbraw/zinc/96/27/09/547962709.db2.gz OZACWFIBWIPYHK-OYRHEFFESA-N 2 1 336.479 3.349 20 0 EGADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000673438501 548560996 /nfs/dbraw/zinc/56/09/96/548560996.db2.gz UFFSOXOEEOBZAZ-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP COC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccco1 ZINC000673812257 548632730 /nfs/dbraw/zinc/63/27/30/548632730.db2.gz WMNOFQNTVTYCLC-LJQANCHMSA-N 2 1 344.455 3.232 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(CC(N)=O)cc2)cc1 ZINC000674758305 548792661 /nfs/dbraw/zinc/79/26/61/548792661.db2.gz IMIGISSSAMIJBY-OAHLLOKOSA-N 2 1 348.450 3.059 20 0 EGADMP Fc1ccc(-c2cc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)on2)cc1 ZINC000675500459 548930052 /nfs/dbraw/zinc/93/00/52/548930052.db2.gz VDPSRXXHNCRTSZ-UHFFFAOYSA-N 2 1 338.386 3.198 20 0 EGADMP c1ccc(C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)cc1 ZINC000675881181 548996723 /nfs/dbraw/zinc/99/67/23/548996723.db2.gz KJFPJTFHWVWMBK-SFTDATJTSA-N 2 1 328.500 3.241 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(CO)o2)C[N@H+]1Cc1ccccc1 ZINC000677129216 549214860 /nfs/dbraw/zinc/21/48/60/549214860.db2.gz OEXNWTRUTCDFDN-SJLPKXTDSA-N 2 1 328.456 3.162 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000678072700 549390014 /nfs/dbraw/zinc/39/00/14/549390014.db2.gz CRJHLNQUFFEHGJ-UHFFFAOYSA-N 2 1 346.519 3.133 20 0 EGADMP CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000678340788 549472636 /nfs/dbraw/zinc/47/26/36/549472636.db2.gz QWWCLVWJKGMSAN-PMACEKPBSA-N 2 1 346.515 3.407 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683774990 550260575 /nfs/dbraw/zinc/26/05/75/550260575.db2.gz PUMJGYVJKMLEKJ-JOCHJYFZSA-N 2 1 347.462 3.091 20 0 EGADMP Oc1cccc2c(NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)cc[nH+]c12 ZINC000684579399 550345277 /nfs/dbraw/zinc/34/52/77/550345277.db2.gz HNEXIEIIUFHBIW-QGZVFWFLSA-N 2 1 349.434 3.119 20 0 EGADMP C[C@]1(CCCO)CCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685463804 550420151 /nfs/dbraw/zinc/42/01/51/550420151.db2.gz BJPNWHPRGCEZMH-OAQYLSRUSA-N 2 1 346.515 3.288 20 0 EGADMP CC[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000685579707 550430023 /nfs/dbraw/zinc/43/00/23/550430023.db2.gz NOLOFHUHEQXTTG-GOSISDBHSA-N 2 1 345.531 3.322 20 0 EGADMP CCCC[C@H](C)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000685612197 550432913 /nfs/dbraw/zinc/43/29/13/550432913.db2.gz OZCHTLCETJZNJZ-SFHVURJKSA-N 2 1 345.531 3.409 20 0 EGADMP CSc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000685848003 550447708 /nfs/dbraw/zinc/44/77/08/550447708.db2.gz LNCLHQQTGYREFD-HNNXBMFYSA-N 2 1 339.574 3.070 20 0 EGADMP CC(C)(C)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000729265917 574834791 /nfs/dbraw/zinc/83/47/91/574834791.db2.gz VKFITYCMIXLZOR-GOSISDBHSA-N 2 1 340.471 3.456 20 0 EGADMP CC(C)(C)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000729265917 574834793 /nfs/dbraw/zinc/83/47/93/574834793.db2.gz VKFITYCMIXLZOR-GOSISDBHSA-N 2 1 340.471 3.456 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@](C)(O)c2ccccc2)C1 ZINC000733795973 575396576 /nfs/dbraw/zinc/39/65/76/575396576.db2.gz WLPMAKDIGNVROB-DYXWJJEUSA-N 2 1 330.516 3.481 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000733795973 575396580 /nfs/dbraw/zinc/39/65/80/575396580.db2.gz WLPMAKDIGNVROB-DYXWJJEUSA-N 2 1 330.516 3.481 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000733795973 575396583 /nfs/dbraw/zinc/39/65/83/575396583.db2.gz WLPMAKDIGNVROB-DYXWJJEUSA-N 2 1 330.516 3.481 20 0 EGADMP O[C@@H](C[NH2+][C@H]1CCc2ccc(-c3ccccc3)cc21)C[NH+]1CCCC1 ZINC000681738780 576179624 /nfs/dbraw/zinc/17/96/24/576179624.db2.gz NXFPFJKXSFAKNX-UNMCSNQZSA-N 2 1 336.479 3.387 20 0 EGADMP CC(C)Cc1ccc([C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C2CC2)cc1 ZINC000685571636 576192792 /nfs/dbraw/zinc/19/27/92/576192792.db2.gz LPTQHKDRNZAMJS-NHCUHLMSSA-N 2 1 330.516 3.381 20 0 EGADMP CC(C)Cc1ccc([C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C2CC2)cc1 ZINC000685571636 576192793 /nfs/dbraw/zinc/19/27/93/576192793.db2.gz LPTQHKDRNZAMJS-NHCUHLMSSA-N 2 1 330.516 3.381 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000379478720 1297532934 /nfs/dbraw/zinc/53/29/34/1297532934.db2.gz LRJGYPZOBSDYGT-UHFFFAOYSA-N 2 1 347.503 3.108 20 0 EGADMP CC[NH+]1CCN(c2ccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2F)CC1 ZINC000877767461 1299544159 /nfs/dbraw/zinc/54/41/59/1299544159.db2.gz KFCCWKSWEKNJTK-ROUUACIJSA-N 2 1 346.494 3.006 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000063917505 1292031334 /nfs/dbraw/zinc/03/13/34/1292031334.db2.gz PJBHPPSARYUQPU-HNNXBMFYSA-N 2 1 332.879 3.347 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000063917505 1292031343 /nfs/dbraw/zinc/03/13/43/1292031343.db2.gz PJBHPPSARYUQPU-HNNXBMFYSA-N 2 1 332.879 3.347 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(OC)c2OC(F)F)C1 ZINC000067223074 1292155161 /nfs/dbraw/zinc/15/51/61/1292155161.db2.gz GGUUZJQWPGJZOT-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OC)c2OC(F)F)C1 ZINC000067223074 1292155166 /nfs/dbraw/zinc/15/51/66/1292155166.db2.gz GGUUZJQWPGJZOT-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000069002058 1292225354 /nfs/dbraw/zinc/22/53/54/1292225354.db2.gz NBVMNUZQPADXQR-UHFFFAOYSA-N 2 1 346.519 3.086 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000069002058 1292225362 /nfs/dbraw/zinc/22/53/62/1292225362.db2.gz NBVMNUZQPADXQR-UHFFFAOYSA-N 2 1 346.519 3.086 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1OCC(C)C ZINC000075780643 1292411254 /nfs/dbraw/zinc/41/12/54/1292411254.db2.gz KQWVVZSBFJIREZ-QGZVFWFLSA-N 2 1 332.488 3.304 20 0 EGADMP CCC(CC)[C@@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000078966315 1292538117 /nfs/dbraw/zinc/53/81/17/1292538117.db2.gz YLHJHFDAOJJZKU-QGZVFWFLSA-N 2 1 341.540 3.342 20 0 EGADMP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003432 1292783228 /nfs/dbraw/zinc/78/32/28/1292783228.db2.gz FBLUAQKZYQIYNR-ZWKOTPCHSA-N 2 1 348.535 3.006 20 0 EGADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003432 1292783238 /nfs/dbraw/zinc/78/32/38/1292783238.db2.gz FBLUAQKZYQIYNR-ZWKOTPCHSA-N 2 1 348.535 3.006 20 0 EGADMP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003772 1292783952 /nfs/dbraw/zinc/78/39/52/1292783952.db2.gz JJRUWNHFSKUDDT-IAGOWNOFSA-N 2 1 340.471 3.010 20 0 EGADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003772 1292783957 /nfs/dbraw/zinc/78/39/57/1292783957.db2.gz JJRUWNHFSKUDDT-IAGOWNOFSA-N 2 1 340.471 3.010 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000108429073 1293081445 /nfs/dbraw/zinc/08/14/45/1293081445.db2.gz YYWSCZCDHBKZJI-CYBMUJFWSA-N 2 1 326.868 3.179 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000108429073 1293081448 /nfs/dbraw/zinc/08/14/48/1293081448.db2.gz YYWSCZCDHBKZJI-CYBMUJFWSA-N 2 1 326.868 3.179 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](CNCc2cnn(-c3ccccc3)c2)C1 ZINC000120857244 1293342304 /nfs/dbraw/zinc/34/23/04/1293342304.db2.gz PBTLMFSTKMNKBE-GOSISDBHSA-N 2 1 326.488 3.330 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000120857244 1293342313 /nfs/dbraw/zinc/34/23/13/1293342313.db2.gz PBTLMFSTKMNKBE-GOSISDBHSA-N 2 1 326.488 3.330 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000120857244 1293342321 /nfs/dbraw/zinc/34/23/21/1293342321.db2.gz PBTLMFSTKMNKBE-GOSISDBHSA-N 2 1 326.488 3.330 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000132183992 1293711563 /nfs/dbraw/zinc/71/15/63/1293711563.db2.gz FHNICVXSUGCKCY-MRXNPFEDSA-N 2 1 331.504 3.059 20 0 EGADMP CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000151141600 1293910249 /nfs/dbraw/zinc/91/02/49/1293910249.db2.gz FJBQKNQVOMRDDM-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000151141600 1293910251 /nfs/dbraw/zinc/91/02/51/1293910251.db2.gz FJBQKNQVOMRDDM-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000153620121 1294022759 /nfs/dbraw/zinc/02/27/59/1294022759.db2.gz WDISHKCCYQQZFY-FQEVSTJZSA-N 2 1 345.531 3.080 20 0 EGADMP Fc1cc(-c2ccncc2)ccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000162572398 1294318240 /nfs/dbraw/zinc/31/82/40/1294318240.db2.gz YTVHLOUDGIDMMQ-OAHLLOKOSA-N 2 1 325.431 3.462 20 0 EGADMP Fc1cc(-c2ccncc2)ccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000162572398 1294318242 /nfs/dbraw/zinc/31/82/42/1294318242.db2.gz YTVHLOUDGIDMMQ-OAHLLOKOSA-N 2 1 325.431 3.462 20 0 EGADMP COCc1cc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)ccc1OC ZINC000178703563 1294751237 /nfs/dbraw/zinc/75/12/37/1294751237.db2.gz QEJAXRBPFXEJAE-LSDHHAIUSA-N 2 1 331.460 3.333 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)nc1 ZINC000179097008 1294772876 /nfs/dbraw/zinc/77/28/76/1294772876.db2.gz QPWRQYBTLFKAKZ-HNNXBMFYSA-N 2 1 345.874 3.418 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000870891682 1296132086 /nfs/dbraw/zinc/13/20/86/1296132086.db2.gz HPHFZXNGLADZOK-LMCOJAPRSA-N 2 1 343.515 3.015 20 0 EGADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870949512 1296148800 /nfs/dbraw/zinc/14/88/00/1296148800.db2.gz HNNVRHDLMOFVKO-VBYALHQYSA-N 2 1 343.515 3.014 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000236827043 1296205818 /nfs/dbraw/zinc/20/58/18/1296205818.db2.gz QDKGYLRJYBMREZ-GOSISDBHSA-N 2 1 325.456 3.092 20 0 EGADMP C[NH+](C)CC[C@H]([NH2+]Cc1cnn(-c2ccc(F)cc2)c1)C(C)(C)C ZINC000236988125 1296216199 /nfs/dbraw/zinc/21/61/99/1296216199.db2.gz SJFQZXPFPYCSOM-SFHVURJKSA-N 2 1 332.467 3.467 20 0 EGADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000237133791 1296221042 /nfs/dbraw/zinc/22/10/42/1296221042.db2.gz NCVJISVXXSOYKL-LEWJYISDSA-N 2 1 338.495 3.393 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000237133791 1296221052 /nfs/dbraw/zinc/22/10/52/1296221052.db2.gz NCVJISVXXSOYKL-LEWJYISDSA-N 2 1 338.495 3.393 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000237133791 1296221062 /nfs/dbraw/zinc/22/10/62/1296221062.db2.gz NCVJISVXXSOYKL-LEWJYISDSA-N 2 1 338.495 3.393 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261542733 1296593132 /nfs/dbraw/zinc/59/31/32/1296593132.db2.gz CKMMASMPBZGEJF-MXEMCNAFSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261542733 1296593138 /nfs/dbraw/zinc/59/31/38/1296593138.db2.gz CKMMASMPBZGEJF-MXEMCNAFSA-N 2 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261542733 1296593148 /nfs/dbraw/zinc/59/31/48/1296593148.db2.gz CKMMASMPBZGEJF-MXEMCNAFSA-N 2 1 327.516 3.019 20 0 EGADMP c1coc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000261701736 1296598527 /nfs/dbraw/zinc/59/85/27/1296598527.db2.gz OSGNUZFNPJSPNQ-MKXGPGLRSA-N 2 1 331.504 3.317 20 0 EGADMP c1coc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000261701739 1296598616 /nfs/dbraw/zinc/59/86/16/1296598616.db2.gz OSGNUZFNPJSPNQ-OKYOBFRVSA-N 2 1 331.504 3.317 20 0 EGADMP Fc1cc(Br)ccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261942886 1296611194 /nfs/dbraw/zinc/61/11/94/1296611194.db2.gz DWXNOUBJSJUWIY-UHFFFAOYSA-N 2 1 327.241 3.164 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)CCCC2 ZINC000872052056 1296702759 /nfs/dbraw/zinc/70/27/59/1296702759.db2.gz AUQPGEMSNLULOI-GOSISDBHSA-N 2 1 330.472 3.323 20 0 EGADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000310877112 1297102018 /nfs/dbraw/zinc/10/20/18/1297102018.db2.gz HGKATPCYRWRQDW-NQIIRXRSSA-N 2 1 342.458 3.361 20 0 EGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000310917508 1297103401 /nfs/dbraw/zinc/10/34/01/1297103401.db2.gz QPAQQGWEUZEPJJ-NHCUHLMSSA-N 2 1 340.515 3.410 20 0 EGADMP Cn1c2ccccc2c(Br)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000873101315 1297273118 /nfs/dbraw/zinc/27/31/18/1297273118.db2.gz SXNYISIBUUZOFV-UHFFFAOYSA-N 2 1 348.288 3.292 20 0 EGADMP C[C@@H]1CCC[C@](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)([NH+](C)C)C1 ZINC000380207762 1297544022 /nfs/dbraw/zinc/54/40/22/1297544022.db2.gz SRONGKSRWVKLIW-BEFAXECRSA-N 2 1 341.540 3.390 20 0 EGADMP C[N@H+](CCC[NH2+]C[C@@H](O)c1c(F)cccc1F)Cc1ccccc1 ZINC000381690882 1297553029 /nfs/dbraw/zinc/55/30/29/1297553029.db2.gz UYKYCUHPQYEVCP-GOSISDBHSA-N 2 1 334.410 3.110 20 0 EGADMP C[N@@H+](CCC[NH2+]C[C@@H](O)c1c(F)cccc1F)Cc1ccccc1 ZINC000381690882 1297553035 /nfs/dbraw/zinc/55/30/35/1297553035.db2.gz UYKYCUHPQYEVCP-GOSISDBHSA-N 2 1 334.410 3.110 20 0 EGADMP CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000404544807 1297755459 /nfs/dbraw/zinc/75/54/59/1297755459.db2.gz SNFJJIPZKSAEEF-IRXDYDNUSA-N 2 1 349.519 3.039 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000699211219 1298169165 /nfs/dbraw/zinc/16/91/65/1298169165.db2.gz QMJJKNOQGYMJTJ-LBFURVHYSA-N 2 1 327.516 3.113 20 0 EGADMP CC[C@@H]1CCC[C@@H](C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000702635386 1298194960 /nfs/dbraw/zinc/19/49/60/1298194960.db2.gz JGBKMWHXVIXAPR-HMXCVIKNSA-N 2 1 330.516 3.429 20 0 EGADMP CC[C@@H]1CCC[C@@H](C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000702635386 1298194969 /nfs/dbraw/zinc/19/49/69/1298194969.db2.gz JGBKMWHXVIXAPR-HMXCVIKNSA-N 2 1 330.516 3.429 20 0 EGADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CCCC1 ZINC000724029350 1298345310 /nfs/dbraw/zinc/34/53/10/1298345310.db2.gz PXPXLVZBBVPHPJ-HOTGVXAUSA-N 2 1 339.524 3.144 20 0 EGADMP C[C@@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000725893333 1298382972 /nfs/dbraw/zinc/38/29/72/1298382972.db2.gz XHTZEHOZOGKYGP-KSZLIROESA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000877094159 1299155370 /nfs/dbraw/zinc/15/53/70/1299155370.db2.gz HVRWAADZKWXMEE-SFHVURJKSA-N 2 1 344.499 3.258 20 0 EGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCc3cccs3)CC2)CC1 ZINC000750836400 1299461584 /nfs/dbraw/zinc/46/15/84/1299461584.db2.gz QVFIWPBLYIEABM-UHFFFAOYSA-N 2 1 349.588 3.419 20 0 EGADMP C[N@@H+](CCc1cccs1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000750836400 1299461590 /nfs/dbraw/zinc/46/15/90/1299461590.db2.gz QVFIWPBLYIEABM-UHFFFAOYSA-N 3 1 349.588 3.419 20 0 EGADMP C[N@H+](CCc1cccs1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000750836400 1299461595 /nfs/dbraw/zinc/46/15/95/1299461595.db2.gz QVFIWPBLYIEABM-UHFFFAOYSA-N 3 1 349.588 3.419 20 0 EGADMP CCc1cccc(Cl)c1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877746460 1299524151 /nfs/dbraw/zinc/52/41/51/1299524151.db2.gz QXRJMXQDVQBSBQ-UHFFFAOYSA-N 2 1 335.923 3.114 20 0 EGADMP C[C@@H]1C[C@@H](CCNc2nc(N(C)C)cc[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000753818725 1300024769 /nfs/dbraw/zinc/02/47/69/1300024769.db2.gz XFYHYNIFUGQNQD-SJLPKXTDSA-N 2 1 339.487 3.255 20 0 EGADMP C[C@@H]1C[C@@H](CCNc2nc(N(C)C)cc[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000753818725 1300024779 /nfs/dbraw/zinc/02/47/79/1300024779.db2.gz XFYHYNIFUGQNQD-SJLPKXTDSA-N 2 1 339.487 3.255 20 0 EGADMP Cc1ccc2c(ccc(C)c2C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000878993530 1300306784 /nfs/dbraw/zinc/30/67/84/1300306784.db2.gz LDHNBEPYLJVRMI-HXUWFJFHSA-N 2 1 338.495 3.488 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247919 1300453159 /nfs/dbraw/zinc/45/31/59/1300453159.db2.gz HBPZVQJAFBWPDF-HNNXBMFYSA-N 2 1 349.906 3.475 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+]4CCCC4)C3)C2)cc1 ZINC000760842882 1301350160 /nfs/dbraw/zinc/35/01/60/1301350160.db2.gz KUPBZILYHJNKLN-OAQYLSRUSA-N 2 1 327.516 3.070 20 0 EGADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000762789383 1301750462 /nfs/dbraw/zinc/75/04/62/1301750462.db2.gz UDZCRVLLSKWRDS-DOTOQJQBSA-N 2 1 342.455 3.035 20 0 EGADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000762789383 1301750469 /nfs/dbraw/zinc/75/04/69/1301750469.db2.gz UDZCRVLLSKWRDS-DOTOQJQBSA-N 2 1 342.455 3.035 20 0 EGADMP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000882951223 1302179827 /nfs/dbraw/zinc/17/98/27/1302179827.db2.gz UUZYXRRMLOPMGS-IBGZPJMESA-N 2 1 327.472 3.238 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+]C3CCC4(COC4)CC3)CC2)cc1 ZINC000883378667 1302421840 /nfs/dbraw/zinc/42/18/40/1302421840.db2.gz UMHXZXSHPCVDRC-UHFFFAOYSA-N 2 1 328.500 3.242 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC3(CCOCC3)Oc3ccccc32)[C@@H](C)C1 ZINC000883383706 1302424247 /nfs/dbraw/zinc/42/42/47/1302424247.db2.gz DSWVWIPOUIYYCI-YTQUADARSA-N 2 1 344.499 3.379 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC3(CCOCC3)Oc3ccccc32)[C@@H](C)C1 ZINC000883383706 1302424252 /nfs/dbraw/zinc/42/42/52/1302424252.db2.gz DSWVWIPOUIYYCI-YTQUADARSA-N 2 1 344.499 3.379 20 0 EGADMP Cc1[nH+]ccn1CCCOC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000767520085 1302700400 /nfs/dbraw/zinc/70/04/00/1302700400.db2.gz JTOUHDWWLIAFSV-UHFFFAOYSA-N 2 1 341.455 3.425 20 0 EGADMP CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000769874627 1303187076 /nfs/dbraw/zinc/18/70/76/1303187076.db2.gz PWKNWZLQHFPHDP-AWEZNQCLSA-N 2 1 331.460 3.337 20 0 EGADMP CCCC(=CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)CCC ZINC000770704457 1303308269 /nfs/dbraw/zinc/30/82/69/1303308269.db2.gz HSNXDPWAKBMZMN-UHFFFAOYSA-N 2 1 330.476 3.299 20 0 EGADMP CC(C)[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000886487767 1303475011 /nfs/dbraw/zinc/47/50/11/1303475011.db2.gz TXQCSURROOTYHN-HXUWFJFHSA-N 2 1 326.488 3.371 20 0 EGADMP CC1([NH+]2CCCC2)CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000886526279 1303486965 /nfs/dbraw/zinc/48/69/65/1303486965.db2.gz IYXXECRHBVENGM-CKHPTIKVSA-N 3 1 349.563 3.017 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)[C@H]2c2ccccc2)CC1 ZINC000886545651 1303494576 /nfs/dbraw/zinc/49/45/76/1303494576.db2.gz PLMMQVSIAPYZET-UWJYYQICSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCCC(=O)OC(C)(C)C ZINC000887135106 1303688189 /nfs/dbraw/zinc/68/81/89/1303688189.db2.gz WILPJGUACYFQAN-INIZCTEOSA-N 2 1 333.476 3.104 20 0 EGADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857199135 1328524569 /nfs/dbraw/zinc/52/45/69/1328524569.db2.gz COQXPQPZZXPEOU-VQTJNVASSA-N 2 1 343.515 3.052 20 0 EGADMP CC[C@@H]1C[NH+](C)CCCN1C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857199135 1328524570 /nfs/dbraw/zinc/52/45/70/1328524570.db2.gz COQXPQPZZXPEOU-VQTJNVASSA-N 2 1 343.515 3.052 20 0 EGADMP CC[C@@H]1C[NH+](C)CCCN1C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857199135 1328524571 /nfs/dbraw/zinc/52/45/71/1328524571.db2.gz COQXPQPZZXPEOU-VQTJNVASSA-N 2 1 343.515 3.052 20 0 EGADMP C[C@@H]1C[NH+](CCCCCCCCC[N@H+]2CCO[C@@H](C)C2)CCO1 ZINC000781885500 1304886608 /nfs/dbraw/zinc/88/66/08/1304886608.db2.gz QIQYOZJPKUBUIP-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP C[C@@H]1C[N@H+](CCCCCCCCC[NH+]2CCO[C@@H](C)C2)CCO1 ZINC000781885500 1304886614 /nfs/dbraw/zinc/88/66/14/1304886614.db2.gz QIQYOZJPKUBUIP-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP C[C@@H]1C[N@@H+](CCCCCCCCC[NH+]2CCO[C@@H](C)C2)CCO1 ZINC000781885500 1304886620 /nfs/dbraw/zinc/88/66/20/1304886620.db2.gz QIQYOZJPKUBUIP-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000783515827 1305101995 /nfs/dbraw/zinc/10/19/95/1305101995.db2.gz CCDPNVUNAYBXGV-BBWFWOEESA-N 2 1 339.524 3.096 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc(F)c(C)c2)CC1 ZINC000892144379 1305266517 /nfs/dbraw/zinc/26/65/17/1305266517.db2.gz NOZAXZMUVRVBKK-UHFFFAOYSA-N 2 1 337.483 3.100 20 0 EGADMP C[NH+]1CCC(C[N@@H+]2CCc3sc(Br)cc3C2)CC1 ZINC000892185847 1305276807 /nfs/dbraw/zinc/27/68/07/1305276807.db2.gz NAARBXCYUOFZLS-UHFFFAOYSA-N 2 1 329.307 3.211 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCc3sc(Br)cc3C2)CC1 ZINC000892185847 1305276813 /nfs/dbraw/zinc/27/68/13/1305276813.db2.gz NAARBXCYUOFZLS-UHFFFAOYSA-N 2 1 329.307 3.211 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C[C@@H](CC(C)(C)C)CC2=O)CC1 ZINC000787219189 1305711155 /nfs/dbraw/zinc/71/11/55/1305711155.db2.gz HNICHQISUAXWEV-GOSISDBHSA-N 2 1 337.552 3.281 20 0 EGADMP O[C@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cccc(F)c1 ZINC000789358745 1306147250 /nfs/dbraw/zinc/14/72/50/1306147250.db2.gz USQWLOPLWPDYNU-LJQANCHMSA-N 2 1 343.446 3.272 20 0 EGADMP Cn1cc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C2CC2)n1 ZINC000894227472 1306289269 /nfs/dbraw/zinc/28/92/69/1306289269.db2.gz SZVLHJKRSYFMTM-NRFANRHFSA-N 2 1 338.499 3.299 20 0 EGADMP Cn1cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C2CC2)n1 ZINC000894227472 1306289279 /nfs/dbraw/zinc/28/92/79/1306289279.db2.gz SZVLHJKRSYFMTM-NRFANRHFSA-N 2 1 338.499 3.299 20 0 EGADMP CCn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(-c2ccccc2)n1 ZINC000894859855 1309104445 /nfs/dbraw/zinc/10/44/45/1309104445.db2.gz NVPMHXIPMXKVAA-NRFANRHFSA-N 2 1 338.499 3.488 20 0 EGADMP CCn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(-c2ccccc2)n1 ZINC000894859855 1309104450 /nfs/dbraw/zinc/10/44/50/1309104450.db2.gz NVPMHXIPMXKVAA-NRFANRHFSA-N 2 1 338.499 3.488 20 0 EGADMP CCn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(-c2ccccc2)n1 ZINC000894859855 1309104454 /nfs/dbraw/zinc/10/44/54/1309104454.db2.gz NVPMHXIPMXKVAA-NRFANRHFSA-N 2 1 338.499 3.488 20 0 EGADMP CCn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(-c2ccccc2)n1 ZINC000894859855 1309104459 /nfs/dbraw/zinc/10/44/59/1309104459.db2.gz NVPMHXIPMXKVAA-NRFANRHFSA-N 2 1 338.499 3.488 20 0 EGADMP COc1ccc(C2=NO[C@@H](C[NH2+]C3CC[NH+](C(C)(C)C)CC3)C2)cc1 ZINC000895497219 1309372538 /nfs/dbraw/zinc/37/25/38/1309372538.db2.gz YLRKBLDAKVNKML-GOSISDBHSA-N 2 1 345.487 3.041 20 0 EGADMP COc1cc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cc(OC)c1O ZINC000895683850 1309464529 /nfs/dbraw/zinc/46/45/29/1309464529.db2.gz VNEKHSANTLBKHW-UHFFFAOYSA-N 2 1 336.476 3.107 20 0 EGADMP Fc1ccc(/C=C/C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1F ZINC000796305714 1309960644 /nfs/dbraw/zinc/96/06/44/1309960644.db2.gz RPGHOZPMHFMAMX-XKKXFUJGSA-N 2 1 336.426 3.211 20 0 EGADMP COc1cc2c(c(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)c1)O[C@H](C)C2 ZINC000798956906 1310463175 /nfs/dbraw/zinc/46/31/75/1310463175.db2.gz HHJKFXIGCCBVTM-MRXNPFEDSA-N 2 1 344.499 3.326 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3c[nH]nc3-c3ccsc3)C2)CC1 ZINC000798956708 1310463970 /nfs/dbraw/zinc/46/39/70/1310463970.db2.gz KWGWCLZUFIHRMI-UHFFFAOYSA-N 2 1 330.501 3.446 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)NC3CCCCCCC3)C2)CC1 ZINC000799178736 1310500490 /nfs/dbraw/zinc/50/04/90/1310500490.db2.gz HKGMWXSRCTVXIA-UHFFFAOYSA-N 2 1 335.536 3.023 20 0 EGADMP c1cc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)ccc1C[NH+]1CCCCC1 ZINC000839478911 1320927352 /nfs/dbraw/zinc/92/73/52/1320927352.db2.gz IPLAQYCHZMFCOL-HXUWFJFHSA-N 2 1 344.499 3.257 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001018968025 1316989267 /nfs/dbraw/zinc/98/92/67/1316989267.db2.gz PTWUJPGMWOSBJL-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001019464975 1317261133 /nfs/dbraw/zinc/26/11/33/1317261133.db2.gz SYFINLGJHTWRKF-SFHVURJKSA-N 2 1 344.503 3.088 20 0 EGADMP CCC(CC)C[NH+]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000957288943 1317262581 /nfs/dbraw/zinc/26/25/81/1317262581.db2.gz JFPBQQXOMCZVIU-OAQYLSRUSA-N 2 1 345.531 3.044 20 0 EGADMP Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)cs1 ZINC001019468508 1317263918 /nfs/dbraw/zinc/26/39/18/1317263918.db2.gz XXDLBMMJOBJSAC-ZWKOTPCHSA-N 2 1 349.544 3.010 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000805764079 1317420838 /nfs/dbraw/zinc/42/08/38/1317420838.db2.gz VJZSGHGVZFMYAF-DLBZAZTESA-N 2 1 339.524 3.240 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000805764079 1317420850 /nfs/dbraw/zinc/42/08/50/1317420850.db2.gz VJZSGHGVZFMYAF-DLBZAZTESA-N 2 1 339.524 3.240 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000805764079 1317420859 /nfs/dbraw/zinc/42/08/59/1317420859.db2.gz VJZSGHGVZFMYAF-DLBZAZTESA-N 2 1 339.524 3.240 20 0 EGADMP COC(=O)c1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(C)c1 ZINC000902791346 1317616608 /nfs/dbraw/zinc/61/66/08/1317616608.db2.gz UQRPVXDYGKDTQP-ZFWWWQNUSA-N 2 1 329.444 3.273 20 0 EGADMP CC[N@@H+](CC1CCCC1)CC1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000957753522 1317621662 /nfs/dbraw/zinc/62/16/62/1317621662.db2.gz UGNSLXFNYNMWMG-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC1CCCC1)CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000957753522 1317621670 /nfs/dbraw/zinc/62/16/70/1317621670.db2.gz UGNSLXFNYNMWMG-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC1CCCC1)CC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000957753522 1317621678 /nfs/dbraw/zinc/62/16/78/1317621678.db2.gz UGNSLXFNYNMWMG-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1)C(C)C ZINC000957760076 1317626834 /nfs/dbraw/zinc/62/68/34/1317626834.db2.gz NTFNBGTUQJNNTD-LJQANCHMSA-N 2 1 337.552 3.218 20 0 EGADMP CC[NH+](CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1)C(C)C ZINC000957760076 1317626839 /nfs/dbraw/zinc/62/68/39/1317626839.db2.gz NTFNBGTUQJNNTD-LJQANCHMSA-N 2 1 337.552 3.218 20 0 EGADMP CC[NH+](CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1)C(C)C ZINC000957760076 1317626845 /nfs/dbraw/zinc/62/68/45/1317626845.db2.gz NTFNBGTUQJNNTD-LJQANCHMSA-N 2 1 337.552 3.218 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001020288603 1317628543 /nfs/dbraw/zinc/62/85/43/1317628543.db2.gz FFRUWUKKWQSPOZ-LWYYNNOASA-N 2 1 347.547 3.211 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000957761121 1317628955 /nfs/dbraw/zinc/62/89/55/1317628955.db2.gz GLCOVERWSIOTSN-HDICACEKSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](CC1CCC1)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000957778025 1317642173 /nfs/dbraw/zinc/64/21/73/1317642173.db2.gz KRIZCVSKKLMSPG-HDICACEKSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC1CCC1)CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000957778025 1317642179 /nfs/dbraw/zinc/64/21/79/1317642179.db2.gz KRIZCVSKKLMSPG-HDICACEKSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC1CCC1)CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000957778025 1317642185 /nfs/dbraw/zinc/64/21/85/1317642185.db2.gz KRIZCVSKKLMSPG-HDICACEKSA-N 2 1 349.563 3.220 20 0 EGADMP CC(=O)OCc1cccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000903091309 1317650430 /nfs/dbraw/zinc/65/04/30/1317650430.db2.gz RDMMVXRVLGKQPI-HUUCEWRRSA-N 2 1 329.444 3.242 20 0 EGADMP CC[C@H]([NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O)c1ccccc1F ZINC000903116608 1317655895 /nfs/dbraw/zinc/65/58/95/1317655895.db2.gz SFJMJYFEGFAWNL-UTBUEMAESA-N 2 1 334.479 3.346 20 0 EGADMP c1cncc([C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CCO2)c1 ZINC000903185289 1317668256 /nfs/dbraw/zinc/66/82/56/1317668256.db2.gz CUIGKLNSHXHNHE-NSEAXLEKSA-N 2 1 327.472 3.049 20 0 EGADMP FC(F)(F)c1ccncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903205575 1317675419 /nfs/dbraw/zinc/67/54/19/1317675419.db2.gz JLMPLSLFIMVISK-LQDVMPOASA-N 2 1 325.378 3.348 20 0 EGADMP FC(F)(F)c1ccncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903205575 1317675424 /nfs/dbraw/zinc/67/54/24/1317675424.db2.gz JLMPLSLFIMVISK-LQDVMPOASA-N 2 1 325.378 3.348 20 0 EGADMP CN(C)c1cccc([C@H]2CCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903740903 1317728400 /nfs/dbraw/zinc/72/84/00/1317728400.db2.gz ZYDULCNVFSAFGD-WOJBJXKFSA-N 2 1 343.515 3.048 20 0 EGADMP CC(C)c1csc([C@@H]2CCC[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903739683 1317728698 /nfs/dbraw/zinc/72/86/98/1317728698.db2.gz NXXUTDDKRAIXRF-JTDSTZFVSA-N 2 1 349.544 3.215 20 0 EGADMP C[C@@H]1C[C@H](N(C)C[C@@H]2CCCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000903739132 1317728787 /nfs/dbraw/zinc/72/87/87/1317728787.db2.gz CRJADZKHFJFRON-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3ccccc3)C2)C1 ZINC001020500032 1317730782 /nfs/dbraw/zinc/73/07/82/1317730782.db2.gz LTMDEBDBYJMMSJ-GSEOLPGOSA-N 2 1 343.515 3.106 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001020500164 1317731200 /nfs/dbraw/zinc/73/12/00/1317731200.db2.gz PGRNNJFGXRZFMV-VAMGGRTRSA-N 2 1 347.547 3.236 20 0 EGADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCCC[C@H]2c2ccccc2)cnn1C ZINC000903905466 1317746468 /nfs/dbraw/zinc/74/64/68/1317746468.db2.gz GOQDIBHFXLITSR-XLIONFOSSA-N 2 1 326.488 3.073 20 0 EGADMP COc1ccc(-c2ccc(C[NH2+]C[C@H]([NH3+])CC(F)F)s2)cc1 ZINC000903925296 1317750849 /nfs/dbraw/zinc/75/08/49/1317750849.db2.gz DMRXFBXFEBSVPD-GFCCVEGCSA-N 2 1 326.412 3.496 20 0 EGADMP CCOCc1cc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000903959557 1317757053 /nfs/dbraw/zinc/75/70/53/1317757053.db2.gz JQCQFBNZGHFBNW-FQEVSTJZSA-N 2 1 332.488 3.197 20 0 EGADMP CC[NH+](CC)CCOc1ccc(-c2noc([C@H]([NH3+])CC3CC3)n2)cc1 ZINC000904100307 1317788203 /nfs/dbraw/zinc/78/82/03/1317788203.db2.gz AMFPTSZACIUBER-QGZVFWFLSA-N 2 1 344.459 3.257 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)c1 ZINC001020587461 1317792415 /nfs/dbraw/zinc/79/24/15/1317792415.db2.gz HBPJCOGPPBVPPL-FCGDIQPGSA-N 2 1 343.515 3.086 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc([C@H](C)O)s2)CC1 ZINC000809545760 1317828852 /nfs/dbraw/zinc/82/88/52/1317828852.db2.gz IQMJJBUSHKLEDE-AWEZNQCLSA-N 2 1 325.522 3.140 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904405560 1317843234 /nfs/dbraw/zinc/84/32/34/1317843234.db2.gz OAOKNRNPHRNJPC-INIZCTEOSA-N 2 1 346.906 3.372 20 0 EGADMP [NH3+]C1(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000904451531 1317849749 /nfs/dbraw/zinc/84/97/49/1317849749.db2.gz ZBSQDCWWMWPLLY-UHFFFAOYSA-N 2 1 332.451 3.179 20 0 EGADMP Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)cs1 ZINC001020675664 1317852378 /nfs/dbraw/zinc/85/23/78/1317852378.db2.gz AGCGXAUEXOCRED-BZSNNMDCSA-N 2 1 349.544 3.056 20 0 EGADMP CC[C@@H](C)C[C@H]([NH3+])c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000904552196 1317861852 /nfs/dbraw/zinc/86/18/52/1317861852.db2.gz NINFJWAJYDPIJU-CJNGLKHVSA-N 2 1 332.448 3.113 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001020906710 1317992415 /nfs/dbraw/zinc/99/24/15/1317992415.db2.gz IQVLGDPTHVSALZ-GUDVDZBRSA-N 2 1 335.536 3.068 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001020908672 1317993656 /nfs/dbraw/zinc/99/36/56/1317993656.db2.gz HUIDKRDELOGEQM-UFYCRDLUSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001021380437 1318223468 /nfs/dbraw/zinc/22/34/68/1318223468.db2.gz GNHTZICWBXVEMT-OHSMVPPVSA-N 2 1 347.547 3.163 20 0 EGADMP Cc1[nH+]ccn1-c1ncccc1CNc1cc(C)[nH+]c2ccccc12 ZINC000811826256 1318274632 /nfs/dbraw/zinc/27/46/32/1318274632.db2.gz VEEVYCJLSAQZJE-UHFFFAOYSA-N 2 1 329.407 3.466 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC1CCC2(CC1)CC[NH+](C)CC2)c1ccccc1 ZINC000908497472 1318354989 /nfs/dbraw/zinc/35/49/89/1318354989.db2.gz CWELOTCWPLZJHK-IBGZPJMESA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000812673679 1318439447 /nfs/dbraw/zinc/43/94/47/1318439447.db2.gz WQWFVOMUGMMJFA-QGZVFWFLSA-N 2 1 348.535 3.010 20 0 EGADMP CC(C)[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021691372 1318567035 /nfs/dbraw/zinc/56/70/35/1318567035.db2.gz OWGRJICDVZMDNS-UXHICEINSA-N 2 1 343.515 3.083 20 0 EGADMP O=C(Nc1c[nH+]ccc1Nc1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC000911739376 1318764352 /nfs/dbraw/zinc/76/43/52/1318764352.db2.gz PTEHZANNRXAEPC-UHFFFAOYSA-N 2 1 336.439 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC000960664724 1318782474 /nfs/dbraw/zinc/78/24/74/1318782474.db2.gz KRVYSTYWCORMBU-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCC1 ZINC000960664724 1318782481 /nfs/dbraw/zinc/78/24/81/1318782481.db2.gz KRVYSTYWCORMBU-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCC1 ZINC000960664724 1318782488 /nfs/dbraw/zinc/78/24/88/1318782488.db2.gz KRVYSTYWCORMBU-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001022077473 1318791734 /nfs/dbraw/zinc/79/17/34/1318791734.db2.gz POYWGWSVACEQOD-YSTOQKLRSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH+](C)CC2CCCC2)C1 ZINC000960688232 1318794738 /nfs/dbraw/zinc/79/47/38/1318794738.db2.gz FNMOGOSGJWHTGQ-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CCC[C@H]2C[N@H+](C)CC2CCCC2)C1 ZINC000960688232 1318794748 /nfs/dbraw/zinc/79/47/48/1318794748.db2.gz FNMOGOSGJWHTGQ-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCCC2)C1 ZINC000960688232 1318794760 /nfs/dbraw/zinc/79/47/60/1318794760.db2.gz FNMOGOSGJWHTGQ-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001022164485 1318825199 /nfs/dbraw/zinc/82/51/99/1318825199.db2.gz LCUDCTCODMVOHK-HSALFYBXSA-N 2 1 349.563 3.458 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC000960731467 1318834209 /nfs/dbraw/zinc/83/42/09/1318834209.db2.gz UXETVNZOQMMIIZ-LJQANCHMSA-N 2 1 345.531 3.038 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001022278001 1318872464 /nfs/dbraw/zinc/87/24/64/1318872464.db2.gz FFRUWUKKWQSPOZ-WCIQWLHISA-N 2 1 347.547 3.211 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)c1ccccc1Cl ZINC001022291372 1318881025 /nfs/dbraw/zinc/88/10/25/1318881025.db2.gz YKHRHIYYNQAUFJ-ZXFNITATSA-N 2 1 349.906 3.122 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)c1ccccc1 ZINC001022601158 1319009782 /nfs/dbraw/zinc/00/97/82/1319009782.db2.gz FIFWKHAEXMVENK-XCZFOBESSA-N 2 1 343.515 3.105 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(C)ccc1C)[NH+](C)C ZINC000960868914 1319013505 /nfs/dbraw/zinc/01/35/05/1319013505.db2.gz LYQPVIBYRDPFED-UXHICEINSA-N 2 1 345.531 3.066 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCC1 ZINC000960903860 1319047533 /nfs/dbraw/zinc/04/75/33/1319047533.db2.gz DPBVGOATVJJHGJ-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC000960903860 1319047538 /nfs/dbraw/zinc/04/75/38/1319047538.db2.gz DPBVGOATVJJHGJ-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC000960903860 1319047544 /nfs/dbraw/zinc/04/75/44/1319047544.db2.gz DPBVGOATVJJHGJ-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001022711989 1319079763 /nfs/dbraw/zinc/07/97/63/1319079763.db2.gz HYPDYHUGZYTEGX-YTQUADARSA-N 2 1 335.536 3.068 20 0 EGADMP CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC000961192519 1319307712 /nfs/dbraw/zinc/30/77/12/1319307712.db2.gz ZOHLDKGRUVUHDB-ROUUACIJSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC000961192519 1319307719 /nfs/dbraw/zinc/30/77/19/1319307719.db2.gz ZOHLDKGRUVUHDB-ROUUACIJSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC000961192519 1319307730 /nfs/dbraw/zinc/30/77/30/1319307730.db2.gz ZOHLDKGRUVUHDB-ROUUACIJSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1cccc([C@@H](O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000930265719 1328822548 /nfs/dbraw/zinc/82/25/48/1328822548.db2.gz GIXQGRPRPANMQN-FQEVSTJZSA-N 2 1 339.483 3.441 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961281777 1319438159 /nfs/dbraw/zinc/43/81/59/1319438159.db2.gz IDKJCWWENKKCBA-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1cc(Cl)nc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000817933172 1319465413 /nfs/dbraw/zinc/46/54/13/1319465413.db2.gz YYDUWDUEHRESRR-VQIMIIECSA-N 2 1 343.858 3.389 20 0 EGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(Br)nc1 ZINC000817958452 1319476591 /nfs/dbraw/zinc/47/65/91/1319476591.db2.gz JTVODHHQFDRKJV-BXUZGUMPSA-N 2 1 326.282 3.402 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1C[NH+]1CCCCC1 ZINC000817959474 1319478120 /nfs/dbraw/zinc/47/81/20/1319478120.db2.gz ROOVZZHLEYCKKY-VQIMIIECSA-N 3 1 333.520 3.315 20 0 EGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817982512 1319485467 /nfs/dbraw/zinc/48/54/67/1319485467.db2.gz UGEQWZUJTYLOFG-BRWVUGGUSA-N 2 1 339.524 3.272 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCC3CCCC3)C2)CC[N@H+]1C ZINC001023381085 1319488498 /nfs/dbraw/zinc/48/84/98/1319488498.db2.gz MVVWBKZMSJNOLI-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CCC3CCCC3)C2)CC[NH+]1C ZINC001023381085 1319488501 /nfs/dbraw/zinc/48/85/01/1319488501.db2.gz MVVWBKZMSJNOLI-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CCC3CCCC3)C2)CC[NH+]1C ZINC001023381085 1319488503 /nfs/dbraw/zinc/48/85/03/1319488503.db2.gz MVVWBKZMSJNOLI-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001023395157 1319500285 /nfs/dbraw/zinc/50/02/85/1319500285.db2.gz BNOKDKAEJRBAAB-INIZCTEOSA-N 2 1 349.544 3.052 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023402838 1319509068 /nfs/dbraw/zinc/50/90/68/1319509068.db2.gz UPQVXLZYMUPYKZ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001023402838 1319509077 /nfs/dbraw/zinc/50/90/77/1319509077.db2.gz UPQVXLZYMUPYKZ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001023402838 1319509085 /nfs/dbraw/zinc/50/90/85/1319509085.db2.gz UPQVXLZYMUPYKZ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001023402566 1319510429 /nfs/dbraw/zinc/51/04/29/1319510429.db2.gz OGAMBSVUVXQVOY-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001023402566 1319510437 /nfs/dbraw/zinc/51/04/37/1319510437.db2.gz OGAMBSVUVXQVOY-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001023402566 1319510445 /nfs/dbraw/zinc/51/04/45/1319510445.db2.gz OGAMBSVUVXQVOY-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC000961375758 1319531718 /nfs/dbraw/zinc/53/17/18/1319531718.db2.gz XGBIYWPMYAHJRP-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001023445754 1319545786 /nfs/dbraw/zinc/54/57/86/1319545786.db2.gz AOPSJTLYFHMOQV-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001023445754 1319545797 /nfs/dbraw/zinc/54/57/97/1319545797.db2.gz AOPSJTLYFHMOQV-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001023445754 1319545806 /nfs/dbraw/zinc/54/58/06/1319545806.db2.gz AOPSJTLYFHMOQV-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961434750 1319588782 /nfs/dbraw/zinc/58/87/82/1319588782.db2.gz HHDUWFGXFNXVNB-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000961434750 1319588790 /nfs/dbraw/zinc/58/87/90/1319588790.db2.gz HHDUWFGXFNXVNB-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000818985634 1319605477 /nfs/dbraw/zinc/60/54/77/1319605477.db2.gz UEVZHPZTDHUJNO-DYVFJYSZSA-N 2 1 328.859 3.223 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000819101012 1319634616 /nfs/dbraw/zinc/63/46/16/1319634616.db2.gz KSLQNHZAFPXXET-INIZCTEOSA-N 2 1 341.377 3.314 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588933 1319710085 /nfs/dbraw/zinc/71/00/85/1319710085.db2.gz OMQWBGULSSHABX-IBGZPJMESA-N 2 1 345.531 3.033 20 0 EGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H](O)c2cccc(F)c2)CC1 ZINC000917010107 1319736942 /nfs/dbraw/zinc/73/69/42/1319736942.db2.gz PZEDOVMEWCBHFH-NRFANRHFSA-N 2 1 342.458 3.422 20 0 EGADMP O[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccco1 ZINC000820806206 1319954919 /nfs/dbraw/zinc/95/49/19/1319954919.db2.gz CDYRTHSMQPLVIH-NXEWRWPSSA-N 2 1 340.467 3.488 20 0 EGADMP C[C@H]1C[C@H](NCc2cc(C3CC3)nn2C)CC[N@H+]1Cc1ccccc1 ZINC000823966681 1320219336 /nfs/dbraw/zinc/21/93/36/1320219336.db2.gz ZOUPRWKTIQBTSM-QFBILLFUSA-N 2 1 338.499 3.440 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](O)c1c(F)cccc1Cl ZINC000838966826 1320844780 /nfs/dbraw/zinc/84/47/80/1320844780.db2.gz HRDBTFFRPPWEMN-GTNSWQLSSA-N 2 1 326.843 3.117 20 0 EGADMP CCOc1cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)ccc1OC(=O)CC ZINC000841039448 1321206937 /nfs/dbraw/zinc/20/69/37/1321206937.db2.gz PPEJAXZGZQVSOF-QGZVFWFLSA-N 2 1 348.487 3.398 20 0 EGADMP COC(=O)c1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cs1 ZINC000859212109 1328946964 /nfs/dbraw/zinc/94/69/64/1328946964.db2.gz FPGKMECCSIIJHY-UHFFFAOYSA-N 2 1 332.469 3.228 20 0 EGADMP COC(=O)c1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cs1 ZINC000859212109 1328946968 /nfs/dbraw/zinc/94/69/68/1328946968.db2.gz FPGKMECCSIIJHY-UHFFFAOYSA-N 2 1 332.469 3.228 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)c2c(F)cccc2F)cc1 ZINC000859214713 1328948380 /nfs/dbraw/zinc/94/83/80/1328948380.db2.gz RSWMUHAKRCSGDL-GOSISDBHSA-N 2 1 334.410 3.192 20 0 EGADMP CSCC[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000843183707 1321483460 /nfs/dbraw/zinc/48/34/60/1321483460.db2.gz UUHNGOISEBOCIP-HNNXBMFYSA-N 2 1 332.473 3.085 20 0 EGADMP CCCN(C(=O)CCCCC[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000844174204 1321576242 /nfs/dbraw/zinc/57/62/42/1321576242.db2.gz PTXZABWLOHLAST-FQEVSTJZSA-N 2 1 345.531 3.409 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000844195274 1321577302 /nfs/dbraw/zinc/57/73/02/1321577302.db2.gz SVOBQNMRVZJICJ-GOSISDBHSA-N 2 1 349.906 3.079 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000846831304 1321814092 /nfs/dbraw/zinc/81/40/92/1321814092.db2.gz IOIDVRDPPCMXDA-MJGOQNOKSA-N 2 1 331.435 3.080 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000846831304 1321814095 /nfs/dbraw/zinc/81/40/95/1321814095.db2.gz IOIDVRDPPCMXDA-MJGOQNOKSA-N 2 1 331.435 3.080 20 0 EGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(N2CCCCC2=O)cc1 ZINC000846911133 1321823271 /nfs/dbraw/zinc/82/32/71/1321823271.db2.gz QTIAVTNOUFUKAN-INIZCTEOSA-N 2 1 340.471 3.220 20 0 EGADMP C[C@@H]1C[C@@H](CCNC(=[NH2+])NCC2CCC2)C[N@H+]1Cc1ccccc1 ZINC000848989919 1322056433 /nfs/dbraw/zinc/05/64/33/1322056433.db2.gz LHAFCWKIRXTBSN-VQIMIIECSA-N 2 1 328.504 3.201 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC)cc1 ZINC000848998481 1322057980 /nfs/dbraw/zinc/05/79/80/1322057980.db2.gz MCCHPRHDHKHKQR-SFHVURJKSA-N 2 1 346.519 3.006 20 0 EGADMP C[C@@H]1CC[N@H+](CCOc2ccc(NCc3c[nH+]c4n3CCC4)cc2)C1 ZINC000850169354 1322200569 /nfs/dbraw/zinc/20/05/69/1322200569.db2.gz KMRHXEHBWKZZAD-MRXNPFEDSA-N 2 1 340.471 3.162 20 0 EGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NCc3c[nH+]c4n3CCC4)cc2)C1 ZINC000850169354 1322200580 /nfs/dbraw/zinc/20/05/80/1322200580.db2.gz KMRHXEHBWKZZAD-MRXNPFEDSA-N 2 1 340.471 3.162 20 0 EGADMP c1[nH+]c2n(c1CNc1ccc(OCC[NH+]3CCCCC3)cc1)CCC2 ZINC000850194438 1322204689 /nfs/dbraw/zinc/20/46/89/1322204689.db2.gz JYRMVBFUTLTJMW-UHFFFAOYSA-N 2 1 340.471 3.306 20 0 EGADMP FC(F)(F)c1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923312756 1322731265 /nfs/dbraw/zinc/73/12/65/1322731265.db2.gz PWTGOKKIFUBLMM-CJNGLKHVSA-N 2 1 340.389 3.221 20 0 EGADMP O[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923313137 1322731493 /nfs/dbraw/zinc/73/14/93/1322731493.db2.gz VKGCMNIRLOMTFY-KEAPPQJHSA-N 2 1 328.500 3.495 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321220 1322733518 /nfs/dbraw/zinc/73/35/18/1322733518.db2.gz AIWLNWVUINCYON-XNPMUHQXSA-N 3 1 333.564 3.494 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321220 1322733521 /nfs/dbraw/zinc/73/35/21/1322733521.db2.gz AIWLNWVUINCYON-XNPMUHQXSA-N 3 1 333.564 3.494 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321220 1322733525 /nfs/dbraw/zinc/73/35/25/1322733525.db2.gz AIWLNWVUINCYON-XNPMUHQXSA-N 3 1 333.564 3.494 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321220 1322733530 /nfs/dbraw/zinc/73/35/30/1322733530.db2.gz AIWLNWVUINCYON-XNPMUHQXSA-N 2 1 333.564 3.494 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321220 1322733532 /nfs/dbraw/zinc/73/35/32/1322733532.db2.gz AIWLNWVUINCYON-XNPMUHQXSA-N 2 1 333.564 3.494 20 0 EGADMP C[C@@]1(Cc2cc(Cl)cs2)CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923531393 1322770517 /nfs/dbraw/zinc/77/05/17/1322770517.db2.gz PKGOSINYQCRUSK-ZBFHGGJFSA-N 2 1 340.920 3.177 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024009979 1323078493 /nfs/dbraw/zinc/07/84/93/1323078493.db2.gz COPRXGFVPOTJBL-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001024047440 1323097466 /nfs/dbraw/zinc/09/74/66/1323097466.db2.gz SVGNGIDIMAHBOP-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CON1CCC([NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000924670685 1323103867 /nfs/dbraw/zinc/10/38/67/1323103867.db2.gz LSHKNZMYXOHYDT-QGZVFWFLSA-N 2 1 331.504 3.176 20 0 EGADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCC[C@@H](C[NH2+]CC2CC2)C1 ZINC001024118599 1323148625 /nfs/dbraw/zinc/14/86/25/1323148625.db2.gz GMAKMJRQENKOMQ-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CCC[C@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC001024156926 1323179939 /nfs/dbraw/zinc/17/99/39/1323179939.db2.gz VGYURPBJGXKQDN-LJQANCHMSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001024186244 1323198058 /nfs/dbraw/zinc/19/80/58/1323198058.db2.gz NTPALXLTPWHDDY-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001024232377 1323220649 /nfs/dbraw/zinc/22/06/49/1323220649.db2.gz PYGQNJVVBFUEAQ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000924959671 1323228249 /nfs/dbraw/zinc/22/82/49/1323228249.db2.gz LBJBASPFTUWTQU-KNBMTAEXSA-N 2 1 349.494 3.101 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+]C[C@H](O)c2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000853104794 1323282912 /nfs/dbraw/zinc/28/29/12/1323282912.db2.gz XNLBHWBGXJZQKP-LMNJBCLMSA-N 2 1 339.483 3.005 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCCCC1 ZINC001024365950 1323337671 /nfs/dbraw/zinc/33/76/71/1323337671.db2.gz KXKICFMQUIFEMS-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCCCC1 ZINC001024365950 1323337674 /nfs/dbraw/zinc/33/76/74/1323337674.db2.gz KXKICFMQUIFEMS-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCCCC1 ZINC001024365950 1323337681 /nfs/dbraw/zinc/33/76/81/1323337681.db2.gz KXKICFMQUIFEMS-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1CC1CC1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440953 1323403586 /nfs/dbraw/zinc/40/35/86/1323403586.db2.gz VTKWIMAQEHJQEZ-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCCC[NH+]1CC1CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440953 1323403589 /nfs/dbraw/zinc/40/35/89/1323403589.db2.gz VTKWIMAQEHJQEZ-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCCC[NH+]1CC1CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440953 1323403594 /nfs/dbraw/zinc/40/35/94/1323403594.db2.gz VTKWIMAQEHJQEZ-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCC2=CCCCC2)CC[N@H+]1C ZINC001024446944 1323405154 /nfs/dbraw/zinc/40/51/54/1323405154.db2.gz LVKOYUFKBMCPEV-YZGWKJHDSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCC2=CCCCC2)CC[NH+]1C ZINC001024446944 1323405158 /nfs/dbraw/zinc/40/51/58/1323405158.db2.gz LVKOYUFKBMCPEV-YZGWKJHDSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCC2=CCCCC2)CC[NH+]1C ZINC001024446944 1323405163 /nfs/dbraw/zinc/40/51/63/1323405163.db2.gz LVKOYUFKBMCPEV-YZGWKJHDSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCC2CCCC2)CC[N@H+]1C ZINC001024448199 1323407603 /nfs/dbraw/zinc/40/76/03/1323407603.db2.gz FKARYXRZISYZFT-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCC2CCCC2)CC[NH+]1C ZINC001024448199 1323407608 /nfs/dbraw/zinc/40/76/08/1323407608.db2.gz FKARYXRZISYZFT-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCC2CCCC2)CC[NH+]1C ZINC001024448199 1323407612 /nfs/dbraw/zinc/40/76/12/1323407612.db2.gz FKARYXRZISYZFT-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024623124 1323552481 /nfs/dbraw/zinc/55/24/81/1323552481.db2.gz ATRHMEWPDSOQHE-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024623124 1323552487 /nfs/dbraw/zinc/55/24/87/1323552487.db2.gz ATRHMEWPDSOQHE-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CC1 ZINC001024813379 1323715097 /nfs/dbraw/zinc/71/50/97/1323715097.db2.gz AXAVEISCNQXHJE-IBGZPJMESA-N 2 1 343.515 3.133 20 0 EGADMP CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931429913 1329115983 /nfs/dbraw/zinc/11/59/83/1329115983.db2.gz JQBTZFJSCMGPOO-VSZNYVQBSA-N 2 1 343.515 3.411 20 0 EGADMP CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931429913 1329115985 /nfs/dbraw/zinc/11/59/85/1329115985.db2.gz JQBTZFJSCMGPOO-VSZNYVQBSA-N 2 1 343.515 3.411 20 0 EGADMP CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931429913 1329115988 /nfs/dbraw/zinc/11/59/88/1329115988.db2.gz JQBTZFJSCMGPOO-VSZNYVQBSA-N 2 1 343.515 3.411 20 0 EGADMP CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931429913 1329115991 /nfs/dbraw/zinc/11/59/91/1329115991.db2.gz JQBTZFJSCMGPOO-VSZNYVQBSA-N 2 1 343.515 3.411 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001025085558 1323886248 /nfs/dbraw/zinc/88/62/48/1323886248.db2.gz SGMJIWWUUVPGHP-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240866 1324034465 /nfs/dbraw/zinc/03/44/65/1324034465.db2.gz RRCMBFXJLZHWAT-RBUKOAKNSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025245917 1324044295 /nfs/dbraw/zinc/04/42/95/1324044295.db2.gz AEFCZBHUEKXAMU-RBUKOAKNSA-N 2 1 340.471 3.203 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279653 1324101932 /nfs/dbraw/zinc/10/19/32/1324101932.db2.gz FVOYQWWGDWNHHV-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025287065 1324109192 /nfs/dbraw/zinc/10/91/92/1324109192.db2.gz BTEKMHTUPIFIEL-RTBURBONSA-N 2 1 344.503 3.017 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025287065 1324109197 /nfs/dbraw/zinc/10/91/97/1324109197.db2.gz BTEKMHTUPIFIEL-RTBURBONSA-N 2 1 344.503 3.017 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025627765 1324478454 /nfs/dbraw/zinc/47/84/54/1324478454.db2.gz LJGNCCLNQKAQGQ-FXAWDEMLSA-N 2 1 345.531 3.235 20 0 EGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C1CC(OCc2ccccc2)C1 ZINC000931765620 1329179485 /nfs/dbraw/zinc/17/94/85/1329179485.db2.gz ZMRWKJXEMFWPFS-MDMXATFFSA-N 2 1 337.467 3.340 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CCC2CC2)CC1 ZINC001026590299 1324915821 /nfs/dbraw/zinc/91/58/21/1324915821.db2.gz BLAWHSDVBWBTNY-SOAGJPPSSA-N 2 1 349.563 3.458 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2ccccc2)CC1 ZINC001026610606 1324931755 /nfs/dbraw/zinc/93/17/55/1324931755.db2.gz NZPGZWXVWDRZES-SOAGJPPSSA-N 2 1 343.515 3.078 20 0 EGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001026886789 1325062061 /nfs/dbraw/zinc/06/20/61/1325062061.db2.gz FOWVNKBYFSKEAK-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP CCS[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)C1 ZINC000925219974 1325084994 /nfs/dbraw/zinc/08/49/94/1325084994.db2.gz YFDWMQZNEGCQBE-AJYUKVHDSA-N 2 1 326.550 3.282 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963310266 1325095040 /nfs/dbraw/zinc/09/50/40/1325095040.db2.gz CWQAUNVLIMUYHJ-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963310266 1325095049 /nfs/dbraw/zinc/09/50/49/1325095049.db2.gz CWQAUNVLIMUYHJ-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000963310266 1325095059 /nfs/dbraw/zinc/09/50/59/1325095059.db2.gz CWQAUNVLIMUYHJ-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CCc1cccc2c1OCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000925360387 1325128935 /nfs/dbraw/zinc/12/89/35/1325128935.db2.gz IDIJFBTWXTZVKN-AQDPXUSMSA-N 2 1 344.499 3.304 20 0 EGADMP CCc1cccc2c1OCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925360387 1325128940 /nfs/dbraw/zinc/12/89/40/1325128940.db2.gz IDIJFBTWXTZVKN-AQDPXUSMSA-N 2 1 344.499 3.304 20 0 EGADMP OCC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000925458939 1325160505 /nfs/dbraw/zinc/16/05/05/1325160505.db2.gz CUJRNQONBGTHMC-OTYNDTSQSA-N 2 1 328.500 3.323 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cnn1-c1ccc(F)cc1 ZINC000925510913 1325184488 /nfs/dbraw/zinc/18/44/88/1325184488.db2.gz BVGCTXYKFVVSCQ-JBBXEZCESA-N 2 1 328.435 3.240 20 0 EGADMP Cc1nc(-c2ccc(CC[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)s2)cs1 ZINC000925522580 1325188430 /nfs/dbraw/zinc/18/84/30/1325188430.db2.gz HEWZOSJFDSAKPR-BAAZUTBUSA-N 2 1 345.537 3.309 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1OC(F)F ZINC000925538839 1325198031 /nfs/dbraw/zinc/19/80/31/1325198031.db2.gz UDDAMPVVZQGMAE-UHOFOFEASA-N 2 1 340.414 3.163 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001027065890 1325201042 /nfs/dbraw/zinc/20/10/42/1325201042.db2.gz GMBATZDKGKRCPE-IBGZPJMESA-N 2 1 349.563 3.127 20 0 EGADMP Clc1ncccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000854220060 1325230597 /nfs/dbraw/zinc/23/05/97/1325230597.db2.gz YSVHQELYCKSVQV-CRAIPNDOSA-N 2 1 329.831 3.081 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C23CCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000925631249 1325238887 /nfs/dbraw/zinc/23/88/87/1325238887.db2.gz GNRDSJPDGHNXPO-IPMKNSEASA-N 2 1 349.469 3.363 20 0 EGADMP CC(C)[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C23CCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000925631249 1325238894 /nfs/dbraw/zinc/23/88/94/1325238894.db2.gz GNRDSJPDGHNXPO-IPMKNSEASA-N 2 1 349.469 3.363 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN[C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cc1 ZINC000925655064 1325250724 /nfs/dbraw/zinc/25/07/24/1325250724.db2.gz UHVRLLOFTMGQLV-CEMLEFRQSA-N 2 1 341.543 3.266 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cc1 ZINC000925655064 1325250729 /nfs/dbraw/zinc/25/07/29/1325250729.db2.gz UHVRLLOFTMGQLV-CEMLEFRQSA-N 3 1 341.543 3.266 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cc1 ZINC000925655064 1325250742 /nfs/dbraw/zinc/25/07/42/1325250742.db2.gz UHVRLLOFTMGQLV-CEMLEFRQSA-N 3 1 341.543 3.266 20 0 EGADMP Fc1cccc(-n2cccn2)c1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925687667 1325261493 /nfs/dbraw/zinc/26/14/93/1325261493.db2.gz LROUVGLRSOZOBM-LPHOPBHVSA-N 2 1 342.462 3.269 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](Cn1ccnc1)c1ccccc1 ZINC000925769177 1325291986 /nfs/dbraw/zinc/29/19/86/1325291986.db2.gz BHTBJCNXCPZGLR-OXQOHEQNSA-N 3 1 335.455 3.137 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CCCCCC1)C2 ZINC000963632177 1325348431 /nfs/dbraw/zinc/34/84/31/1325348431.db2.gz PTGYNVXJFGUGSZ-MBEFBZSESA-N 2 1 347.547 3.068 20 0 EGADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857132260 1325578376 /nfs/dbraw/zinc/57/83/76/1325578376.db2.gz ZIJLMFSAUVYKOA-UXHICEINSA-N 2 1 343.515 3.100 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027409842 1327636049 /nfs/dbraw/zinc/63/60/49/1327636049.db2.gz OTTLXWCOHXGRLN-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027409842 1327636058 /nfs/dbraw/zinc/63/60/58/1327636058.db2.gz OTTLXWCOHXGRLN-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027409842 1327636064 /nfs/dbraw/zinc/63/60/64/1327636064.db2.gz OTTLXWCOHXGRLN-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027410669 1327636376 /nfs/dbraw/zinc/63/63/76/1327636376.db2.gz YKAKEWDPKRCLRG-RTBURBONSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001027410669 1327636380 /nfs/dbraw/zinc/63/63/80/1327636380.db2.gz YKAKEWDPKRCLRG-RTBURBONSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001027410669 1327636389 /nfs/dbraw/zinc/63/63/89/1327636389.db2.gz YKAKEWDPKRCLRG-RTBURBONSA-N 2 1 349.563 3.218 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1 ZINC001027417169 1327643422 /nfs/dbraw/zinc/64/34/22/1327643422.db2.gz WKSQGZZHZUAVHP-SJLPKXTDSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC001027417169 1327643428 /nfs/dbraw/zinc/64/34/28/1327643428.db2.gz WKSQGZZHZUAVHP-SJLPKXTDSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001027429941 1327669211 /nfs/dbraw/zinc/66/92/11/1327669211.db2.gz JZQWVHSSEQKDSQ-INIZCTEOSA-N 2 1 337.533 3.002 20 0 EGADMP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000926708102 1327676756 /nfs/dbraw/zinc/67/67/56/1327676756.db2.gz ZRXHRLYPABUEJL-NLWGTHIKSA-N 2 1 330.520 3.128 20 0 EGADMP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)cn1 ZINC000926708102 1327676766 /nfs/dbraw/zinc/67/67/66/1327676766.db2.gz ZRXHRLYPABUEJL-NLWGTHIKSA-N 2 1 330.520 3.128 20 0 EGADMP C[N@@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027477294 1327731585 /nfs/dbraw/zinc/73/15/85/1327731585.db2.gz FIOLRCBLVHYQTF-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP C[N@@H+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555070 1327862195 /nfs/dbraw/zinc/86/21/95/1327862195.db2.gz CHCAJWDTPICVQW-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)CC3CCC3)C2)cc1 ZINC001027614973 1327978152 /nfs/dbraw/zinc/97/81/52/1327978152.db2.gz JSRCYLLJNSBENQ-FQEVSTJZSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1)[NH+]1CCCC1 ZINC001027695400 1328102609 /nfs/dbraw/zinc/10/26/09/1328102609.db2.gz UGSJOIYMWWMTTO-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000928012996 1328171707 /nfs/dbraw/zinc/17/17/07/1328171707.db2.gz PFLCWNKJYRXADU-PGYGNJIDSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027971353 1328442995 /nfs/dbraw/zinc/44/29/95/1328442995.db2.gz FGYQBJHCVKQWOW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001027971353 1328442999 /nfs/dbraw/zinc/44/29/99/1328442999.db2.gz FGYQBJHCVKQWOW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001027971353 1328443005 /nfs/dbraw/zinc/44/30/05/1328443005.db2.gz FGYQBJHCVKQWOW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001027986423 1328458116 /nfs/dbraw/zinc/45/81/16/1328458116.db2.gz WUSQNDCLYJUHSV-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001027986423 1328458119 /nfs/dbraw/zinc/45/81/19/1328458119.db2.gz WUSQNDCLYJUHSV-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001027986423 1328458122 /nfs/dbraw/zinc/45/81/22/1328458122.db2.gz WUSQNDCLYJUHSV-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](C[N@@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C1CCCCC1 ZINC000863315260 1329545767 /nfs/dbraw/zinc/54/57/67/1329545767.db2.gz QTNCYPMJFVKABJ-UZLBHIALSA-N 2 1 349.519 3.009 20 0 EGADMP C[C@@H](C[N@@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C1CCCCC1 ZINC000863315257 1329545849 /nfs/dbraw/zinc/54/58/49/1329545849.db2.gz QTNCYPMJFVKABJ-JXFKEZNVSA-N 2 1 349.519 3.009 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC000865435059 1329696931 /nfs/dbraw/zinc/69/69/31/1329696931.db2.gz BEWBPEXHYYSPBF-AWEZNQCLSA-N 2 1 348.441 3.185 20 0 EGADMP CC(C)(C)Oc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000865633039 1329723067 /nfs/dbraw/zinc/72/30/67/1329723067.db2.gz VZURJEUDBZRYCA-GOSISDBHSA-N 2 1 332.488 3.207 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC000932619851 1329827998 /nfs/dbraw/zinc/82/79/98/1329827998.db2.gz UMFUREWJFOJHRY-UHFFFAOYSA-N 2 1 330.501 3.406 20 0 EGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[NH2+]C(C)(C)C ZINC000933860910 1329929060 /nfs/dbraw/zinc/92/90/60/1329929060.db2.gz OERBDYOSYUHXJB-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000934067150 1329943567 /nfs/dbraw/zinc/94/35/67/1329943567.db2.gz VCGLZYRDEQKZFF-UHFFFAOYSA-N 2 1 345.491 3.066 20 0 EGADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000934947115 1330019508 /nfs/dbraw/zinc/01/95/08/1330019508.db2.gz GBEFJQFETHHFFQ-LJQANCHMSA-N 2 1 329.488 3.402 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000936027024 1330106820 /nfs/dbraw/zinc/10/68/20/1330106820.db2.gz KPPFQJTXJPDGHA-MRXNPFEDSA-N 2 1 335.492 3.116 20 0 EGADMP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000866666815 1330139523 /nfs/dbraw/zinc/13/95/23/1330139523.db2.gz XOKNRERZWZHRSD-HRCADAONSA-N 2 1 349.906 3.297 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866666324 1330139541 /nfs/dbraw/zinc/13/95/41/1330139541.db2.gz QJHQBJPTRMNOOH-ZIFCJYIRSA-N 2 1 329.488 3.034 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CC2)CC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942101714 1331830560 /nfs/dbraw/zinc/83/05/60/1331830560.db2.gz SPVSKFBGGWRSFQ-RHSMWYFYSA-N 2 1 349.544 3.050 20 0 EGADMP C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000942302118 1331898547 /nfs/dbraw/zinc/89/85/47/1331898547.db2.gz IWSIHVQSAXHBIT-YJBOKZPZSA-N 2 1 342.487 3.211 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942530483 1331958835 /nfs/dbraw/zinc/95/88/35/1331958835.db2.gz SLCSHNJFVRHUEA-PXNSSMCTSA-N 2 1 345.531 3.031 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597032 1331995514 /nfs/dbraw/zinc/99/55/14/1331995514.db2.gz IAAAGXHOYNNWJX-XLIONFOSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[N@@H+](CCC2CCCCC2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596786 1331995655 /nfs/dbraw/zinc/99/56/55/1331995655.db2.gz GFDYNXIEXYFIHA-FXAWDEMLSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[N@@H+](CCCC2CCC2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943289315 1332138967 /nfs/dbraw/zinc/13/89/67/1332138967.db2.gz PZBLUEDSMHRKAM-FXAWDEMLSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945089330 1332496903 /nfs/dbraw/zinc/49/69/03/1332496903.db2.gz FZUAPTAOSUMUHQ-XLIONFOSSA-N 2 1 345.531 3.235 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947361227 1333102859 /nfs/dbraw/zinc/10/28/59/1333102859.db2.gz MRWFNOKKEJETHW-ZBFHGGJFSA-N 2 1 337.533 3.048 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947362459 1333104025 /nfs/dbraw/zinc/10/40/25/1333104025.db2.gz XDKKWOKABLOMKQ-GOEBONIOSA-N 2 1 337.533 3.193 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CC[N@@H+](CCC3CC3)[C@@H](C)C2)ccc2c[nH+]cn21 ZINC000947471710 1333141803 /nfs/dbraw/zinc/14/18/03/1333141803.db2.gz DZFKQYBUQVPWKK-WMLDXEAASA-N 2 1 340.471 3.026 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CC1CC(C)(C)C1 ZINC000947492756 1333145666 /nfs/dbraw/zinc/14/56/66/1333145666.db2.gz NGZKIMWBIIZVRK-FUHWJXTLSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CCCC1CCC1 ZINC000947725863 1333241452 /nfs/dbraw/zinc/24/14/52/1333241452.db2.gz DYULJPBRZQYHKX-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CCCC1CCC1 ZINC000947725863 1333241456 /nfs/dbraw/zinc/24/14/56/1333241456.db2.gz DYULJPBRZQYHKX-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CCCC1CCC1 ZINC000947725863 1333241460 /nfs/dbraw/zinc/24/14/60/1333241460.db2.gz DYULJPBRZQYHKX-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCC1CCCCC1 ZINC000948038767 1333349445 /nfs/dbraw/zinc/34/94/45/1333349445.db2.gz BGFFDHHTLSWGKX-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948056589 1333357872 /nfs/dbraw/zinc/35/78/72/1333357872.db2.gz LTDUVXOOLALZBG-PXNSSMCTSA-N 2 1 343.515 3.297 20 0 EGADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC000948553857 1333572352 /nfs/dbraw/zinc/57/23/52/1333572352.db2.gz NJSKKDBBLHQURG-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC000948553857 1333572353 /nfs/dbraw/zinc/57/23/53/1333572353.db2.gz NJSKKDBBLHQURG-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC000948553857 1333572357 /nfs/dbraw/zinc/57/23/57/1333572357.db2.gz NJSKKDBBLHQURG-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000948553666 1333572601 /nfs/dbraw/zinc/57/26/01/1333572601.db2.gz JYUSQDKCODDWDI-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC000948553666 1333572604 /nfs/dbraw/zinc/57/26/04/1333572604.db2.gz JYUSQDKCODDWDI-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC000948553666 1333572608 /nfs/dbraw/zinc/57/26/08/1333572608.db2.gz JYUSQDKCODDWDI-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948574509 1333583076 /nfs/dbraw/zinc/58/30/76/1333583076.db2.gz GXEOCAFXYRKNIH-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948574509 1333583079 /nfs/dbraw/zinc/58/30/79/1333583079.db2.gz GXEOCAFXYRKNIH-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948574509 1333583082 /nfs/dbraw/zinc/58/30/82/1333583082.db2.gz GXEOCAFXYRKNIH-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC000948589389 1333586654 /nfs/dbraw/zinc/58/66/54/1333586654.db2.gz APRRTWBDCQEWAN-QTONRWBISA-N 2 1 346.862 3.013 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CC3CCC3)CC2)C1 ZINC000948711872 1333643765 /nfs/dbraw/zinc/64/37/65/1333643765.db2.gz VKLQBVZXILYEJW-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CCC[N@H+](CC3CCC3)CC2)C1 ZINC000948711872 1333643769 /nfs/dbraw/zinc/64/37/69/1333643769.db2.gz VKLQBVZXILYEJW-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CCC[N@@H+](CC3CCC3)CC2)C1 ZINC000948711872 1333643770 /nfs/dbraw/zinc/64/37/70/1333643770.db2.gz VKLQBVZXILYEJW-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948725815 1333648037 /nfs/dbraw/zinc/64/80/37/1333648037.db2.gz IVQHBCSEBTVDSE-SFHVURJKSA-N 2 1 347.503 3.068 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000948755761 1333663340 /nfs/dbraw/zinc/66/33/40/1333663340.db2.gz KRCTWSNHKBZRAN-FQEVSTJZSA-N 2 1 347.547 3.284 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000949307237 1333820143 /nfs/dbraw/zinc/82/01/43/1333820143.db2.gz ALNBDVUHGSNCMF-FQEVSTJZSA-N 2 1 348.450 3.243 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)c1 ZINC000949627780 1333885549 /nfs/dbraw/zinc/88/55/49/1333885549.db2.gz LZSGWADGTCVJTN-GOSISDBHSA-N 2 1 343.515 3.075 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1C[NH+](CC2CCC(C)CC2)C1 ZINC000951380606 1334235113 /nfs/dbraw/zinc/23/51/13/1334235113.db2.gz XCNMEDNLHAVZOT-JEVOJNTISA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967396867 1335725571 /nfs/dbraw/zinc/72/55/71/1335725571.db2.gz IUBWRPWRAQGXSD-HNAYVOBHSA-N 2 1 342.487 3.211 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968053378 1335849341 /nfs/dbraw/zinc/84/93/41/1335849341.db2.gz DCQPQRXGOJCTPS-QAPCUYQASA-N 2 1 349.519 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968053378 1335849345 /nfs/dbraw/zinc/84/93/45/1335849345.db2.gz DCQPQRXGOJCTPS-QAPCUYQASA-N 2 1 349.519 3.218 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2CCCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968332748 1335892008 /nfs/dbraw/zinc/89/20/08/1335892008.db2.gz YLMKVOFKALVVTE-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC2CCCCC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000968332748 1335892011 /nfs/dbraw/zinc/89/20/11/1335892011.db2.gz YLMKVOFKALVVTE-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC2CCCCC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000968332748 1335892014 /nfs/dbraw/zinc/89/20/14/1335892014.db2.gz YLMKVOFKALVVTE-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000968732133 1336029276 /nfs/dbraw/zinc/02/92/76/1336029276.db2.gz HGVQHDACPPYTQD-NVXWUHKLSA-N 2 1 346.519 3.023 20 0 EGADMP CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000968858377 1336070658 /nfs/dbraw/zinc/07/06/58/1336070658.db2.gz CSWBLFIYFHLUQO-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000968858377 1336070660 /nfs/dbraw/zinc/07/06/60/1336070660.db2.gz CSWBLFIYFHLUQO-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000968858377 1336070664 /nfs/dbraw/zinc/07/06/64/1336070664.db2.gz CSWBLFIYFHLUQO-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000968915018 1336087750 /nfs/dbraw/zinc/08/77/50/1336087750.db2.gz ABFXRJSWIBJMBF-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1c(C(=O)NC[C@H]2CCCCC[N@H+]2CC2CC2)ccc2c[nH+]cn21 ZINC000968925484 1336091359 /nfs/dbraw/zinc/09/13/59/1336091359.db2.gz FFFIOYRTMQBUKL-QGZVFWFLSA-N 2 1 340.471 3.027 20 0 EGADMP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968926220 1336091858 /nfs/dbraw/zinc/09/18/58/1336091858.db2.gz XMKVPUYDEHIVPM-MRXNPFEDSA-N 2 1 328.460 3.027 20 0 EGADMP CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970325835 1336294690 /nfs/dbraw/zinc/29/46/90/1336294690.db2.gz KHLQKOHPWMPEPM-APWZRJJASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000970528498 1336317778 /nfs/dbraw/zinc/31/77/78/1336317778.db2.gz HHKKQLUGRJOCKD-PXNSSMCTSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCC2)C1 ZINC000970719502 1336335380 /nfs/dbraw/zinc/33/53/80/1336335380.db2.gz SBBZTDGYQQJIIY-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC(C)C)C1 ZINC000970718984 1336335473 /nfs/dbraw/zinc/33/54/73/1336335473.db2.gz NWCOPBDRMRXPLP-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005503915 1336363458 /nfs/dbraw/zinc/36/34/58/1336363458.db2.gz LLEHRBHAGVUSOZ-IBGZPJMESA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001006000255 1336435965 /nfs/dbraw/zinc/43/59/65/1336435965.db2.gz HAVRBYPLHIXBRK-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C1CC[NH+](CC2CCCC2)CC1 ZINC001006072833 1336446633 /nfs/dbraw/zinc/44/66/33/1336446633.db2.gz ONPHXUNKFCQFEZ-UHFFFAOYSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CCC2CC2)CC1 ZINC001006278646 1336480913 /nfs/dbraw/zinc/48/09/13/1336480913.db2.gz MMENBAAKDHOTTH-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CCC2)CC1 ZINC001006278485 1336480981 /nfs/dbraw/zinc/48/09/81/1336480981.db2.gz LLDWPFAYXAOVMB-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001006441091 1336506384 /nfs/dbraw/zinc/50/63/84/1336506384.db2.gz BXYONRXHCFHKFT-CALCHBBNSA-N 2 1 337.552 3.218 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001006444115 1336507516 /nfs/dbraw/zinc/50/75/16/1336507516.db2.gz RTOBLDJJLVSSLD-HDICACEKSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001007500820 1336658883 /nfs/dbraw/zinc/65/88/83/1336658883.db2.gz VUDAEOGCIAHUHG-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001007500820 1336658884 /nfs/dbraw/zinc/65/88/84/1336658884.db2.gz VUDAEOGCIAHUHG-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001007500820 1336658885 /nfs/dbraw/zinc/65/88/85/1336658885.db2.gz VUDAEOGCIAHUHG-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCCC2CCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001008053099 1336759333 /nfs/dbraw/zinc/75/93/33/1336759333.db2.gz RFNWNJYNUFVFPG-WOJBJXKFSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC001008762654 1336922373 /nfs/dbraw/zinc/92/23/73/1336922373.db2.gz VSZPZZMWDWRAQB-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1)[NH+]1CCCCC1 ZINC001014446424 1337779726 /nfs/dbraw/zinc/77/97/26/1337779726.db2.gz GBEZMIYUVMVGQV-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1)[NH+]1CCCCC1 ZINC001014447844 1337780301 /nfs/dbraw/zinc/78/03/01/1337780301.db2.gz QHHJFOMRQBRYDQ-SFHVURJKSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CCC2CCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001015116015 1338023526 /nfs/dbraw/zinc/02/35/26/1338023526.db2.gz ZCYNGOFJQFVHBA-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015291559 1338086783 /nfs/dbraw/zinc/08/67/83/1338086783.db2.gz SVLUDXSVYJNIKH-QUCCMNQESA-N 2 1 348.450 3.290 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001015596342 1338200495 /nfs/dbraw/zinc/20/04/95/1338200495.db2.gz AZJWIZLSUXDVFZ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCCC3CCCC3)C2)C1 ZINC001015596342 1338200498 /nfs/dbraw/zinc/20/04/98/1338200498.db2.gz AZJWIZLSUXDVFZ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001015596342 1338200501 /nfs/dbraw/zinc/20/05/01/1338200501.db2.gz AZJWIZLSUXDVFZ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)cs1 ZINC001015791873 1338312191 /nfs/dbraw/zinc/31/21/91/1338312191.db2.gz OJFVABVSEQFXTA-ZWKOTPCHSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCCC[NH+]3C(C)C)C2)cs1 ZINC001015791873 1338312197 /nfs/dbraw/zinc/31/21/97/1338312197.db2.gz OJFVABVSEQFXTA-ZWKOTPCHSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCC[NH+]3C(C)C)C2)cs1 ZINC001015791873 1338312200 /nfs/dbraw/zinc/31/22/00/1338312200.db2.gz OJFVABVSEQFXTA-ZWKOTPCHSA-N 2 1 349.544 3.010 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001015930489 1338363634 /nfs/dbraw/zinc/36/36/34/1338363634.db2.gz PFCDBOYNDGPZEN-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC001015930769 1338363728 /nfs/dbraw/zinc/36/37/28/1338363728.db2.gz VFJROQTUDJUPMO-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001015976391 1338388787 /nfs/dbraw/zinc/38/87/87/1338388787.db2.gz MLTATMCHKIHIGJ-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001015976391 1338388791 /nfs/dbraw/zinc/38/87/91/1338388791.db2.gz MLTATMCHKIHIGJ-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001015976391 1338388796 /nfs/dbraw/zinc/38/87/96/1338388796.db2.gz MLTATMCHKIHIGJ-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001016339376 1338555458 /nfs/dbraw/zinc/55/54/58/1338555458.db2.gz PTIBSEOHJJPXAL-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001016339376 1338555459 /nfs/dbraw/zinc/55/54/59/1338555459.db2.gz PTIBSEOHJJPXAL-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001016339376 1338555462 /nfs/dbraw/zinc/55/54/62/1338555462.db2.gz PTIBSEOHJJPXAL-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001016338995 1338556204 /nfs/dbraw/zinc/55/62/04/1338556204.db2.gz MTPDIJYGDTXQCZ-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001016338995 1338556205 /nfs/dbraw/zinc/55/62/05/1338556205.db2.gz MTPDIJYGDTXQCZ-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001016338995 1338556206 /nfs/dbraw/zinc/55/62/06/1338556206.db2.gz MTPDIJYGDTXQCZ-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC1CCCCC1)CC2 ZINC001016543060 1338640111 /nfs/dbraw/zinc/64/01/11/1338640111.db2.gz LVMMGGQUXWLLGO-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016661206 1338682406 /nfs/dbraw/zinc/68/24/06/1338682406.db2.gz DHHFQWZTMRSAAA-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016662720 1338682898 /nfs/dbraw/zinc/68/28/98/1338682898.db2.gz MXFOFKBWMJDCBS-OALUTQOASA-N 2 1 347.547 3.186 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001016689247 1338691626 /nfs/dbraw/zinc/69/16/26/1338691626.db2.gz XKPOYLVAEIWSDK-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001016787484 1338727479 /nfs/dbraw/zinc/72/74/79/1338727479.db2.gz NKEHVOMRFJXWGK-OALUTQOASA-N 2 1 347.547 3.164 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001017142645 1338894834 /nfs/dbraw/zinc/89/48/34/1338894834.db2.gz QDVFWEORRJRUGH-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001017142645 1338894838 /nfs/dbraw/zinc/89/48/38/1338894838.db2.gz QDVFWEORRJRUGH-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001017142645 1338894845 /nfs/dbraw/zinc/89/48/45/1338894845.db2.gz QDVFWEORRJRUGH-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001017142643 1338895336 /nfs/dbraw/zinc/89/53/36/1338895336.db2.gz QDVFWEORRJRUGH-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001017142643 1338895340 /nfs/dbraw/zinc/89/53/40/1338895340.db2.gz QDVFWEORRJRUGH-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001017142643 1338895346 /nfs/dbraw/zinc/89/53/46/1338895346.db2.gz QDVFWEORRJRUGH-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001017611784 1339377313 /nfs/dbraw/zinc/37/73/13/1339377313.db2.gz YWEAHYBKGLKNED-SLFFLAALSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001017611784 1339377314 /nfs/dbraw/zinc/37/73/14/1339377314.db2.gz YWEAHYBKGLKNED-SLFFLAALSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001017611784 1339377318 /nfs/dbraw/zinc/37/73/18/1339377318.db2.gz YWEAHYBKGLKNED-SLFFLAALSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001017616457 1339377475 /nfs/dbraw/zinc/37/74/75/1339377475.db2.gz BGNRFEVZWFAGFI-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001017616457 1339377480 /nfs/dbraw/zinc/37/74/80/1339377480.db2.gz BGNRFEVZWFAGFI-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001017616457 1339377483 /nfs/dbraw/zinc/37/74/83/1339377483.db2.gz BGNRFEVZWFAGFI-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[N@H+](CC1CCC(C)CC1)C2)[NH+](C)C ZINC001017640495 1339380707 /nfs/dbraw/zinc/38/07/07/1339380707.db2.gz VPBTWCJOTYYKSG-VWAQSERHSA-N 2 1 349.563 3.074 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001018051901 1339491009 /nfs/dbraw/zinc/49/10/09/1339491009.db2.gz LLFPYTQCOOYFMT-HAGHYFMRSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001018310448 1339571364 /nfs/dbraw/zinc/57/13/64/1339571364.db2.gz LVFKECYJURDQRL-RSPOEFSDSA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001018310448 1339571365 /nfs/dbraw/zinc/57/13/65/1339571365.db2.gz LVFKECYJURDQRL-RSPOEFSDSA-N 2 1 343.515 3.011 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001028203410 1340482238 /nfs/dbraw/zinc/48/22/38/1340482238.db2.gz UKJLUMBEDPQBRA-HXUWFJFHSA-N 2 1 345.531 3.379 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCCC1 ZINC001028335226 1340572650 /nfs/dbraw/zinc/57/26/50/1340572650.db2.gz QGHVFISZSFKTGF-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001028335226 1340572652 /nfs/dbraw/zinc/57/26/52/1340572652.db2.gz QGHVFISZSFKTGF-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001028335226 1340572654 /nfs/dbraw/zinc/57/26/54/1340572654.db2.gz QGHVFISZSFKTGF-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001028537960 1340693790 /nfs/dbraw/zinc/69/37/90/1340693790.db2.gz WKAKSIGQCQDAJR-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001028537960 1340693793 /nfs/dbraw/zinc/69/37/93/1340693793.db2.gz WKAKSIGQCQDAJR-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001028537960 1340693805 /nfs/dbraw/zinc/69/38/05/1340693805.db2.gz WKAKSIGQCQDAJR-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001028844737 1340856428 /nfs/dbraw/zinc/85/64/28/1340856428.db2.gz BGIQOUFRURHMDJ-MJGOQNOKSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001028844737 1340856430 /nfs/dbraw/zinc/85/64/30/1340856430.db2.gz BGIQOUFRURHMDJ-MJGOQNOKSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001028844737 1340856433 /nfs/dbraw/zinc/85/64/33/1340856433.db2.gz BGIQOUFRURHMDJ-MJGOQNOKSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845919 1340856948 /nfs/dbraw/zinc/85/69/48/1340856948.db2.gz TXMQKIRCVGLNKA-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845919 1340856950 /nfs/dbraw/zinc/85/69/50/1340856950.db2.gz TXMQKIRCVGLNKA-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845919 1340856956 /nfs/dbraw/zinc/85/69/56/1340856956.db2.gz TXMQKIRCVGLNKA-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001029003253 1340905330 /nfs/dbraw/zinc/90/53/30/1340905330.db2.gz JRSLDZOMJJUCCM-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001029003253 1340905331 /nfs/dbraw/zinc/90/53/31/1340905331.db2.gz JRSLDZOMJJUCCM-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001029003253 1340905332 /nfs/dbraw/zinc/90/53/32/1340905332.db2.gz JRSLDZOMJJUCCM-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001029134319 1340939405 /nfs/dbraw/zinc/93/94/05/1340939405.db2.gz SCZDRMPSMOGIRT-YLJYHZDGSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)CC ZINC001029550189 1341010805 /nfs/dbraw/zinc/01/08/05/1341010805.db2.gz DDALTRVTIBASAZ-YSTOQKLRSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)CC ZINC001029550189 1341010806 /nfs/dbraw/zinc/01/08/06/1341010806.db2.gz DDALTRVTIBASAZ-YSTOQKLRSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001029550189 1341010807 /nfs/dbraw/zinc/01/08/07/1341010807.db2.gz DDALTRVTIBASAZ-YSTOQKLRSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH+](C)CC3CCCCC3)C2)CC[N@H+]1C ZINC001029742084 1341059848 /nfs/dbraw/zinc/05/98/48/1341059848.db2.gz KVUGGHPWRGRPAD-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[N@H+](C)CC3CCCCC3)C2)CC[NH+]1C ZINC001029742084 1341059850 /nfs/dbraw/zinc/05/98/50/1341059850.db2.gz KVUGGHPWRGRPAD-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[N@@H+](C)CC3CCCCC3)C2)CC[NH+]1C ZINC001029742084 1341059852 /nfs/dbraw/zinc/05/98/52/1341059852.db2.gz KVUGGHPWRGRPAD-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029771186 1341068946 /nfs/dbraw/zinc/06/89/46/1341068946.db2.gz BOJZHUPNWQCEFS-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CCC1)C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001029771186 1341068948 /nfs/dbraw/zinc/06/89/48/1341068948.db2.gz BOJZHUPNWQCEFS-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CCC1)C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001029771186 1341068950 /nfs/dbraw/zinc/06/89/50/1341068950.db2.gz BOJZHUPNWQCEFS-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001029843975 1341092954 /nfs/dbraw/zinc/09/29/54/1341092954.db2.gz UBWGUTKYOURJRL-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)CC1CCCCCC1 ZINC001029947829 1341130985 /nfs/dbraw/zinc/13/09/85/1341130985.db2.gz YAGUOEBQUNUEMG-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)CC1CCCCCC1 ZINC001029947829 1341130986 /nfs/dbraw/zinc/13/09/86/1341130986.db2.gz YAGUOEBQUNUEMG-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)CC1CCCCCC1 ZINC001029947829 1341130987 /nfs/dbraw/zinc/13/09/87/1341130987.db2.gz YAGUOEBQUNUEMG-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP O=C(NC1C[NH+](CCCC2CCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001030445225 1341187992 /nfs/dbraw/zinc/18/79/92/1341187992.db2.gz UFQPOYQSESTBQT-HXUWFJFHSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC1C[NH+](CCCC2CCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001030445225 1341187993 /nfs/dbraw/zinc/18/79/93/1341187993.db2.gz UFQPOYQSESTBQT-HXUWFJFHSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NCC1C[NH+](CCC2CCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001032042760 1341444076 /nfs/dbraw/zinc/44/40/76/1341444076.db2.gz JPTXYNVVZSKQLK-PMACEKPBSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001032804030 1341619433 /nfs/dbraw/zinc/61/94/33/1341619433.db2.gz ULANPTJRVWOWSV-UFYCRDLUSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033072989 1341716063 /nfs/dbraw/zinc/71/60/63/1341716063.db2.gz OJXDKOOEASFFEM-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033072989 1341716064 /nfs/dbraw/zinc/71/60/64/1341716064.db2.gz OJXDKOOEASFFEM-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033072989 1341716065 /nfs/dbraw/zinc/71/60/65/1341716065.db2.gz OJXDKOOEASFFEM-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)CC[N@H+]1C ZINC001033091548 1341720259 /nfs/dbraw/zinc/72/02/59/1341720259.db2.gz KUYGFLGSPKCSPM-BHIYHBOVSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC3CCC(C)(C)CC3)C2)CC[NH+]1C ZINC001033091548 1341720260 /nfs/dbraw/zinc/72/02/60/1341720260.db2.gz KUYGFLGSPKCSPM-BHIYHBOVSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)CC[NH+]1C ZINC001033091548 1341720263 /nfs/dbraw/zinc/72/02/63/1341720263.db2.gz KUYGFLGSPKCSPM-BHIYHBOVSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001033466002 1341836818 /nfs/dbraw/zinc/83/68/18/1341836818.db2.gz BLLWDTXKHBDKKN-IEBWSBKVSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033472048 1341840204 /nfs/dbraw/zinc/84/02/04/1341840204.db2.gz RCSKUJGMGKHCHY-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033472048 1341840206 /nfs/dbraw/zinc/84/02/06/1341840206.db2.gz RCSKUJGMGKHCHY-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033472048 1341840208 /nfs/dbraw/zinc/84/02/08/1341840208.db2.gz RCSKUJGMGKHCHY-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC1CCC(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001033530660 1341860321 /nfs/dbraw/zinc/86/03/21/1341860321.db2.gz FJANPYISWJVCOZ-UUKMXZOPSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033829283 1342030129 /nfs/dbraw/zinc/03/01/29/1342030129.db2.gz VYFGNJKLXICJCG-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033829283 1342030130 /nfs/dbraw/zinc/03/01/30/1342030130.db2.gz VYFGNJKLXICJCG-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033829283 1342030131 /nfs/dbraw/zinc/03/01/31/1342030131.db2.gz VYFGNJKLXICJCG-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034205394 1342316630 /nfs/dbraw/zinc/31/66/30/1342316630.db2.gz WJSDSCYBPMHVNM-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2=CCCCC2)C1 ZINC001034205394 1342316632 /nfs/dbraw/zinc/31/66/32/1342316632.db2.gz WJSDSCYBPMHVNM-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2=CCCCC2)C1 ZINC001034205394 1342316633 /nfs/dbraw/zinc/31/66/33/1342316633.db2.gz WJSDSCYBPMHVNM-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034249964 1342347099 /nfs/dbraw/zinc/34/70/99/1342347099.db2.gz NNKCJRCMRFSLDN-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034249964 1342347101 /nfs/dbraw/zinc/34/71/01/1342347101.db2.gz NNKCJRCMRFSLDN-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034249964 1342347102 /nfs/dbraw/zinc/34/71/02/1342347102.db2.gz NNKCJRCMRFSLDN-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034285979 1342372882 /nfs/dbraw/zinc/37/28/82/1342372882.db2.gz VMVFYHOLLIKONT-MRXNPFEDSA-N 2 1 328.460 3.027 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CCCC[N@H+](CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001034286239 1342373986 /nfs/dbraw/zinc/37/39/86/1342373986.db2.gz XCSDKCQCLDWQSP-QGZVFWFLSA-N 2 1 342.487 3.273 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034289486 1342376277 /nfs/dbraw/zinc/37/62/77/1342376277.db2.gz UNVJWRYZPLGUNI-RBUKOAKNSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289486 1342376281 /nfs/dbraw/zinc/37/62/81/1342376281.db2.gz UNVJWRYZPLGUNI-RBUKOAKNSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289486 1342376284 /nfs/dbraw/zinc/37/62/84/1342376284.db2.gz UNVJWRYZPLGUNI-RBUKOAKNSA-N 2 1 335.536 3.044 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC001034379194 1342449043 /nfs/dbraw/zinc/44/90/43/1342449043.db2.gz BYKPWVZREBVQBL-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](CC3CCCCCC3)C2)C1 ZINC001034395173 1342464177 /nfs/dbraw/zinc/46/41/77/1342464177.db2.gz VEWNGPRUTWFWSX-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CC3CCCCCC3)C2)C1 ZINC001034395173 1342464180 /nfs/dbraw/zinc/46/41/80/1342464180.db2.gz VEWNGPRUTWFWSX-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001034395173 1342464185 /nfs/dbraw/zinc/46/41/85/1342464185.db2.gz VEWNGPRUTWFWSX-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034400205 1342465885 /nfs/dbraw/zinc/46/58/85/1342465885.db2.gz WYAQEXRYCGVTET-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](CC2CCCCCC2)C1 ZINC001034400205 1342465887 /nfs/dbraw/zinc/46/58/87/1342465887.db2.gz WYAQEXRYCGVTET-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](CC2CCCCCC2)C1 ZINC001034400205 1342465890 /nfs/dbraw/zinc/46/58/90/1342465890.db2.gz WYAQEXRYCGVTET-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)cs1 ZINC001034400907 1342466240 /nfs/dbraw/zinc/46/62/40/1342466240.db2.gz YOTULWQPJQMZHZ-MAUKXSAKSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)cs1 ZINC001034400907 1342466244 /nfs/dbraw/zinc/46/62/44/1342466244.db2.gz YOTULWQPJQMZHZ-MAUKXSAKSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)cs1 ZINC001034400907 1342466246 /nfs/dbraw/zinc/46/62/46/1342466246.db2.gz YOTULWQPJQMZHZ-MAUKXSAKSA-N 2 1 349.544 3.012 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034430257 1342492397 /nfs/dbraw/zinc/49/23/97/1342492397.db2.gz CJQXWORLFHJRHE-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538048 1342594463 /nfs/dbraw/zinc/59/44/63/1342594463.db2.gz PYSCOFKHPDOAQJ-RTBURBONSA-N 2 1 349.494 3.081 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034538045 1342594832 /nfs/dbraw/zinc/59/48/32/1342594832.db2.gz HMCSFKKKGPYOQW-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034538045 1342594836 /nfs/dbraw/zinc/59/48/36/1342594836.db2.gz HMCSFKKKGPYOQW-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034538045 1342594840 /nfs/dbraw/zinc/59/48/40/1342594840.db2.gz HMCSFKKKGPYOQW-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001034672395 1342683245 /nfs/dbraw/zinc/68/32/45/1342683245.db2.gz MHMJAERAYHWZNP-FHWLQOOXSA-N 2 1 347.547 3.068 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCC3)CC2)C1 ZINC001034734775 1342728803 /nfs/dbraw/zinc/72/88/03/1342728803.db2.gz YGVREBHISSQJBY-WGSAOQKQSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[C@@H]([NH2+]CC2CC(C)C2)CC1 ZINC001034748657 1342736531 /nfs/dbraw/zinc/73/65/31/1342736531.db2.gz ACVCAPRFIPLBAG-PWKSQPCKSA-N 2 1 349.563 3.312 20 0 EGADMP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CC[C@@H]2CCC[N@@H+]2C)cs1 ZINC001034962441 1342855003 /nfs/dbraw/zinc/85/50/03/1342855003.db2.gz RBBRQRWKPLXOHM-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001035013303 1342875599 /nfs/dbraw/zinc/87/55/99/1342875599.db2.gz GAPAFDFTGJAFQQ-NLWGTHIKSA-N 2 1 343.515 3.039 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001035102159 1342927609 /nfs/dbraw/zinc/92/76/09/1342927609.db2.gz KLMPGHXIIZICBX-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+](CCC)C1)CC2 ZINC001035215982 1343035070 /nfs/dbraw/zinc/03/50/70/1343035070.db2.gz OSXXSILQOHUNCW-IBGZPJMESA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035215982 1343035074 /nfs/dbraw/zinc/03/50/74/1343035074.db2.gz OSXXSILQOHUNCW-IBGZPJMESA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035215982 1343035080 /nfs/dbraw/zinc/03/50/80/1343035080.db2.gz OSXXSILQOHUNCW-IBGZPJMESA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035707653 1343144411 /nfs/dbraw/zinc/14/44/11/1343144411.db2.gz PQFBIFPFWDSTNI-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035810513 1343210186 /nfs/dbraw/zinc/21/01/86/1343210186.db2.gz NKVZTXKMXKRPCH-IBGZPJMESA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001036409224 1343470090 /nfs/dbraw/zinc/47/00/90/1343470090.db2.gz HBRHCGJCSXOVHZ-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC2CC2)C1 ZINC001036458212 1343497473 /nfs/dbraw/zinc/49/74/73/1343497473.db2.gz UBEXDBVUGNSLAP-WMZOPIPTSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036731722 1343661333 /nfs/dbraw/zinc/66/13/33/1343661333.db2.gz YGHHSEUIHKKLED-WBVHZDCISA-N 2 1 349.544 3.002 20 0 EGADMP CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1CC ZINC001037871529 1344153260 /nfs/dbraw/zinc/15/32/60/1344153260.db2.gz CDZULGIDBNUDAF-SJLPKXTDSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1[NH2+]C(C)C ZINC001037937377 1344191723 /nfs/dbraw/zinc/19/17/23/1344191723.db2.gz WJZOUVLKWBWMHW-IAGOWNOFSA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001038240998 1344339790 /nfs/dbraw/zinc/33/97/90/1344339790.db2.gz RWSDWVBYLRUFDW-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001038240998 1344339793 /nfs/dbraw/zinc/33/97/93/1344339793.db2.gz RWSDWVBYLRUFDW-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCCC1CCCC1 ZINC001038240998 1344339798 /nfs/dbraw/zinc/33/97/98/1344339798.db2.gz RWSDWVBYLRUFDW-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038329258 1344382314 /nfs/dbraw/zinc/38/23/14/1344382314.db2.gz PASZNLIEXPJQCX-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCCC1 ZINC001038329258 1344382317 /nfs/dbraw/zinc/38/23/17/1344382317.db2.gz PASZNLIEXPJQCX-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001038329258 1344382324 /nfs/dbraw/zinc/38/23/24/1344382324.db2.gz PASZNLIEXPJQCX-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001038329597 1344383665 /nfs/dbraw/zinc/38/36/65/1344383665.db2.gz PVILKIMKHZECJH-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001038329597 1344383667 /nfs/dbraw/zinc/38/36/67/1344383667.db2.gz PVILKIMKHZECJH-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCC2(CC2)CC1 ZINC001038329597 1344383670 /nfs/dbraw/zinc/38/36/70/1344383670.db2.gz PVILKIMKHZECJH-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP Cc1c(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H](C)c2ccccc2)ccc2c[nH+]cn21 ZINC001038431661 1344425339 /nfs/dbraw/zinc/42/53/39/1344425339.db2.gz KCTYXLNSNXDLSM-KXBFYZLASA-N 2 1 348.450 3.208 20 0 EGADMP CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039133900 1344812917 /nfs/dbraw/zinc/81/29/17/1344812917.db2.gz LXOFIJVBIXKRTI-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039133900 1344812922 /nfs/dbraw/zinc/81/29/22/1344812922.db2.gz LXOFIJVBIXKRTI-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039133900 1344812924 /nfs/dbraw/zinc/81/29/24/1344812924.db2.gz LXOFIJVBIXKRTI-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137319 1344816614 /nfs/dbraw/zinc/81/66/14/1344816614.db2.gz GIKSRQICSFOKAJ-WOJBJXKFSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039137319 1344816617 /nfs/dbraw/zinc/81/66/17/1344816617.db2.gz GIKSRQICSFOKAJ-WOJBJXKFSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039137319 1344816619 /nfs/dbraw/zinc/81/66/19/1344816619.db2.gz GIKSRQICSFOKAJ-WOJBJXKFSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139477 1344818876 /nfs/dbraw/zinc/81/88/76/1344818876.db2.gz HDOQMEAPYZVEMT-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC001039139477 1344818879 /nfs/dbraw/zinc/81/88/79/1344818879.db2.gz HDOQMEAPYZVEMT-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC001039139477 1344818881 /nfs/dbraw/zinc/81/88/81/1344818881.db2.gz HDOQMEAPYZVEMT-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001039139480 1344820696 /nfs/dbraw/zinc/82/06/96/1344820696.db2.gz HDOQMEAPYZVEMT-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC001039139480 1344820699 /nfs/dbraw/zinc/82/06/99/1344820699.db2.gz HDOQMEAPYZVEMT-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC001039139480 1344820704 /nfs/dbraw/zinc/82/07/04/1344820704.db2.gz HDOQMEAPYZVEMT-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001039140522 1344821878 /nfs/dbraw/zinc/82/18/78/1344821878.db2.gz GPJQCACLWQJMCM-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001039140522 1344821881 /nfs/dbraw/zinc/82/18/81/1344821881.db2.gz GPJQCACLWQJMCM-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039140522 1344821885 /nfs/dbraw/zinc/82/18/85/1344821885.db2.gz GPJQCACLWQJMCM-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001039249492 1344979782 /nfs/dbraw/zinc/97/97/82/1344979782.db2.gz AZOVWMVPZFTIEC-VQTJNVASSA-N 2 1 343.515 3.085 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001039388138 1345040426 /nfs/dbraw/zinc/04/04/26/1345040426.db2.gz BUQBGSXSROHZCX-ZCNNSNEGSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001039388138 1345040428 /nfs/dbraw/zinc/04/04/28/1345040428.db2.gz BUQBGSXSROHZCX-ZCNNSNEGSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001039388138 1345040432 /nfs/dbraw/zinc/04/04/32/1345040432.db2.gz BUQBGSXSROHZCX-ZCNNSNEGSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001039473384 1345088599 /nfs/dbraw/zinc/08/85/99/1345088599.db2.gz JZROMTQJQUZWIW-UXHICEINSA-N 2 1 343.515 3.083 20 0 EGADMP CC[N@@H+](CC1CC1)C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001039491969 1345111716 /nfs/dbraw/zinc/11/17/16/1345111716.db2.gz ANEIKBSMJVCARQ-UHFFFAOYSA-N 2 1 343.515 3.085 20 0 EGADMP C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCC1)[NH+]1CCCCCC1 ZINC001039939542 1345253121 /nfs/dbraw/zinc/25/31/21/1345253121.db2.gz KLXNAASXROWMQZ-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC(C)(C)C)C2)[NH+](C)C ZINC001040261337 1345400879 /nfs/dbraw/zinc/40/08/79/1345400879.db2.gz MRKNLXXSDFIVDX-XLIONFOSSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CC(C)C)C3)C1 ZINC001040346331 1345444826 /nfs/dbraw/zinc/44/48/26/1345444826.db2.gz BQSOHOOMWVIWDA-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC(C)C)C3)C1 ZINC001040346331 1345444829 /nfs/dbraw/zinc/44/48/29/1345444829.db2.gz BQSOHOOMWVIWDA-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC(C)C)C3)C1 ZINC001040346331 1345444832 /nfs/dbraw/zinc/44/48/32/1345444832.db2.gz BQSOHOOMWVIWDA-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001040349725 1345447962 /nfs/dbraw/zinc/44/79/62/1345447962.db2.gz IXNULSIGODTCLL-CTNGQTDRSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001040349725 1345447965 /nfs/dbraw/zinc/44/79/65/1345447965.db2.gz IXNULSIGODTCLL-CTNGQTDRSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001040349725 1345447967 /nfs/dbraw/zinc/44/79/67/1345447967.db2.gz IXNULSIGODTCLL-CTNGQTDRSA-N 2 1 347.547 3.118 20 0 EGADMP CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CCCCCC3)C2)C1)[NH+](C)C ZINC001041403267 1345718824 /nfs/dbraw/zinc/71/88/24/1345718824.db2.gz OFADFPMZSSJNNY-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCC3CCCCC3)C2)C1)[NH+](C)C ZINC001041404890 1345719297 /nfs/dbraw/zinc/71/92/97/1345719297.db2.gz XGTDEHRLASEWPW-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC(C)C)C2)C1 ZINC001041781981 1345848040 /nfs/dbraw/zinc/84/80/40/1345848040.db2.gz NRFNLIYARMSYHK-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001041781981 1345848041 /nfs/dbraw/zinc/84/80/41/1345848041.db2.gz NRFNLIYARMSYHK-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001041781981 1345848042 /nfs/dbraw/zinc/84/80/42/1345848042.db2.gz NRFNLIYARMSYHK-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041845950 1345871589 /nfs/dbraw/zinc/87/15/89/1345871589.db2.gz STQAROPCYQQKEF-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001041845950 1345871590 /nfs/dbraw/zinc/87/15/90/1345871590.db2.gz STQAROPCYQQKEF-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001041845950 1345871591 /nfs/dbraw/zinc/87/15/91/1345871591.db2.gz STQAROPCYQQKEF-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3CC[N@@H+](CCC(C)(C)C)[C@H]3C2)CC1 ZINC001042257011 1346007699 /nfs/dbraw/zinc/00/76/99/1346007699.db2.gz CKKPCOYTKSBLTN-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[NH+]2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001043522225 1346186350 /nfs/dbraw/zinc/18/63/50/1346186350.db2.gz YCFJZRTUXQVZAM-MSOLQXFVSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CC[NH+](CC(=O)N(C)C2C[NH+](CC[C@@H]3CCC[C@H](C)C3)C2)CC1 ZINC001044086183 1346244995 /nfs/dbraw/zinc/24/49/95/1346244995.db2.gz PFCQIJXGKLCIAF-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044630356 1346388021 /nfs/dbraw/zinc/38/80/21/1346388021.db2.gz VWXZFTYSQJJBCP-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044630358 1346388126 /nfs/dbraw/zinc/38/81/26/1346388126.db2.gz VWXZFTYSQJJBCP-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001044743014 1346418497 /nfs/dbraw/zinc/41/84/97/1346418497.db2.gz JTGRWQFHOCTFDE-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045068792 1346489481 /nfs/dbraw/zinc/48/94/81/1346489481.db2.gz RAUYDWWDQAQPKZ-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045076306 1346490496 /nfs/dbraw/zinc/49/04/96/1346490496.db2.gz RRAIJWQEMDMOQG-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2ccsc2)CC1 ZINC001045438930 1346593931 /nfs/dbraw/zinc/59/39/31/1346593931.db2.gz XISJTCPUAAABOO-KRWDZBQOSA-N 2 1 349.544 3.092 20 0 EGADMP CC1(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC[NH+](CC2CCCC2)CC1 ZINC001045438941 1346594121 /nfs/dbraw/zinc/59/41/21/1346594121.db2.gz XSBGCNACZWPVJK-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC1(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](CC2CC2)CC1 ZINC001045442242 1346594571 /nfs/dbraw/zinc/59/45/71/1346594571.db2.gz PXRHAVZDJKMNQV-GOSISDBHSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001045461783 1346599598 /nfs/dbraw/zinc/59/95/98/1346599598.db2.gz NGNAZTVFOPZYLT-INIZCTEOSA-N 2 1 346.519 3.167 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1)[NH+](C)C ZINC001045802724 1346702522 /nfs/dbraw/zinc/70/25/22/1346702522.db2.gz OHESOEFGRPJTMM-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001045942696 1346778447 /nfs/dbraw/zinc/77/84/47/1346778447.db2.gz XJNCSFHJKQRWNS-OAQYLSRUSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045943733 1346779372 /nfs/dbraw/zinc/77/93/72/1346779372.db2.gz NKMCVCPUZMXINT-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001045943733 1346779374 /nfs/dbraw/zinc/77/93/74/1346779374.db2.gz NKMCVCPUZMXINT-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001045943733 1346779378 /nfs/dbraw/zinc/77/93/78/1346779378.db2.gz NKMCVCPUZMXINT-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[C@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1)[NH+](C)C ZINC001045965798 1346801406 /nfs/dbraw/zinc/80/14/06/1346801406.db2.gz WFFPAYUPQOPHTK-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@]2(CC[NH+](CC)C2)C1 ZINC001045978719 1346815076 /nfs/dbraw/zinc/81/50/76/1346815076.db2.gz GNUTVBYASRZZCA-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CC)C2)C1 ZINC001045978719 1346815078 /nfs/dbraw/zinc/81/50/78/1346815078.db2.gz GNUTVBYASRZZCA-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CC)C2)C1 ZINC001045978719 1346815080 /nfs/dbraw/zinc/81/50/80/1346815080.db2.gz GNUTVBYASRZZCA-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001045986069 1346826705 /nfs/dbraw/zinc/82/67/05/1346826705.db2.gz GNVCUFWLHUYNIL-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001045986070 1346827172 /nfs/dbraw/zinc/82/71/72/1346827172.db2.gz GNVCUFWLHUYNIL-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCC2CCCC2)C1 ZINC001046316059 1346932086 /nfs/dbraw/zinc/93/20/86/1346932086.db2.gz NDOAECRLWMJSJK-ICSRJNTNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCC2CCCC2)C1 ZINC001046316059 1346932088 /nfs/dbraw/zinc/93/20/88/1346932088.db2.gz NDOAECRLWMJSJK-ICSRJNTNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCC2CCCC2)C1 ZINC001046316059 1346932092 /nfs/dbraw/zinc/93/20/92/1346932092.db2.gz NDOAECRLWMJSJK-ICSRJNTNSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cc(C[NH+]2CC[C@](C)(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cs1 ZINC001046316269 1346932188 /nfs/dbraw/zinc/93/21/88/1346932188.db2.gz NKGLKXIXTOZRKV-HKUYNNGSSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@](C)(NC(=O)[C@@H]3CCC[NH+]3C(C)C)C2)cs1 ZINC001046316269 1346932190 /nfs/dbraw/zinc/93/21/90/1346932190.db2.gz NKGLKXIXTOZRKV-HKUYNNGSSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@](C)(NC(=O)[C@@H]3CCC[NH+]3C(C)C)C2)cs1 ZINC001046316269 1346932191 /nfs/dbraw/zinc/93/21/91/1346932191.db2.gz NKGLKXIXTOZRKV-HKUYNNGSSA-N 2 1 349.544 3.010 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CC3CCCCCC3)C2)CC[N@H+]1C ZINC001046330754 1346935968 /nfs/dbraw/zinc/93/59/68/1346935968.db2.gz RUUHNTAFKVUAFA-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001046330754 1346935971 /nfs/dbraw/zinc/93/59/71/1346935971.db2.gz RUUHNTAFKVUAFA-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001046330754 1346935976 /nfs/dbraw/zinc/93/59/76/1346935976.db2.gz RUUHNTAFKVUAFA-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@]2(C)CC[NH+](CC3=CCCCC3)C2)C1 ZINC001046562843 1347018778 /nfs/dbraw/zinc/01/87/78/1347018778.db2.gz SKZNKYWUGRKJMW-FPOVZHCZSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@]2(C)CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001046562843 1347018780 /nfs/dbraw/zinc/01/87/80/1347018780.db2.gz SKZNKYWUGRKJMW-FPOVZHCZSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001046562843 1347018783 /nfs/dbraw/zinc/01/87/83/1347018783.db2.gz SKZNKYWUGRKJMW-FPOVZHCZSA-N 2 1 347.547 3.189 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCC(C)(C)C)C3)CC1 ZINC001047165329 1347226805 /nfs/dbraw/zinc/22/68/05/1347226805.db2.gz OOTKOROZQWMYJS-OTWHNJEPSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047975903 1347431363 /nfs/dbraw/zinc/43/13/63/1347431363.db2.gz PATBVHWENKYMNY-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001048539484 1347584230 /nfs/dbraw/zinc/58/42/30/1347584230.db2.gz PBGCGEIMWGWDHM-BJWYYQGGSA-N 2 1 340.471 3.026 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001048589965 1347609117 /nfs/dbraw/zinc/60/91/17/1347609117.db2.gz DZOLKQCNEXGPCR-RDGPPVDQSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001048589965 1347609119 /nfs/dbraw/zinc/60/91/19/1347609119.db2.gz DZOLKQCNEXGPCR-RDGPPVDQSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001048589965 1347609120 /nfs/dbraw/zinc/60/91/20/1347609120.db2.gz DZOLKQCNEXGPCR-RDGPPVDQSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]C(C)C)CC1 ZINC001048610155 1347617390 /nfs/dbraw/zinc/61/73/90/1347617390.db2.gz WUDLEUQVQNTIJI-FHWLQOOXSA-N 2 1 337.552 3.027 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC(CC)CC ZINC001049508581 1347884243 /nfs/dbraw/zinc/88/42/43/1347884243.db2.gz QIGFAAHFBLCRER-XUVXKRRUSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(CC)CC ZINC001049508581 1347884245 /nfs/dbraw/zinc/88/42/45/1347884245.db2.gz QIGFAAHFBLCRER-XUVXKRRUSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(CC)CC ZINC001049508581 1347884247 /nfs/dbraw/zinc/88/42/47/1347884247.db2.gz QIGFAAHFBLCRER-XUVXKRRUSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049535844 1347896690 /nfs/dbraw/zinc/89/66/90/1347896690.db2.gz KJXUILOATCFFEZ-SLFFLAALSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001049535844 1347896692 /nfs/dbraw/zinc/89/66/92/1347896692.db2.gz KJXUILOATCFFEZ-SLFFLAALSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001049535844 1347896693 /nfs/dbraw/zinc/89/66/93/1347896693.db2.gz KJXUILOATCFFEZ-SLFFLAALSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC001049535670 1347896923 /nfs/dbraw/zinc/89/69/23/1347896923.db2.gz IHCZXQXHBRHZOU-QYZOEREBSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049535670 1347896926 /nfs/dbraw/zinc/89/69/26/1347896926.db2.gz IHCZXQXHBRHZOU-QYZOEREBSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C ZINC001049535670 1347896927 /nfs/dbraw/zinc/89/69/27/1347896927.db2.gz IHCZXQXHBRHZOU-QYZOEREBSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049638888 1347948230 /nfs/dbraw/zinc/94/82/30/1347948230.db2.gz NCBQRPOHSWOLLZ-MOPGFXCFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677107 1347968109 /nfs/dbraw/zinc/96/81/09/1347968109.db2.gz RRHCAYXGFOSTGI-QZTJIDSGSA-N 2 1 347.503 3.066 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677107 1347968111 /nfs/dbraw/zinc/96/81/11/1347968111.db2.gz RRHCAYXGFOSTGI-QZTJIDSGSA-N 2 1 347.503 3.066 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001049713327 1347987782 /nfs/dbraw/zinc/98/77/82/1347987782.db2.gz XURMQOPRIRGFCA-IPMKNSEASA-N 2 1 349.563 3.074 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049764440 1348008945 /nfs/dbraw/zinc/00/89/45/1348008945.db2.gz CZWVOTFPIIJJEJ-HSALFYBXSA-N 2 1 347.547 3.282 20 0 EGADMP C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CC1)[NH+]1CCCCCC1 ZINC001049768162 1348011168 /nfs/dbraw/zinc/01/11/68/1348011168.db2.gz UFGYOPRBBNHAFG-HOJAQTOUSA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049914010 1348108890 /nfs/dbraw/zinc/10/88/90/1348108890.db2.gz LHGNLCCGWVEYHW-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC001049922135 1348113894 /nfs/dbraw/zinc/11/38/94/1348113894.db2.gz YEIICCXGGUOYJS-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCC1 ZINC001049922135 1348113896 /nfs/dbraw/zinc/11/38/96/1348113896.db2.gz YEIICCXGGUOYJS-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCC1 ZINC001049922135 1348113897 /nfs/dbraw/zinc/11/38/97/1348113897.db2.gz YEIICCXGGUOYJS-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049926668 1348117387 /nfs/dbraw/zinc/11/73/87/1348117387.db2.gz QKXSCIBMEZLZCE-ZWKOTPCHSA-N 2 1 347.503 3.210 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC001050046437 1348164558 /nfs/dbraw/zinc/16/45/58/1348164558.db2.gz DNVJKHPEYQDLAP-GBESFXJTSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001050046437 1348164560 /nfs/dbraw/zinc/16/45/60/1348164560.db2.gz DNVJKHPEYQDLAP-GBESFXJTSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001050046437 1348164561 /nfs/dbraw/zinc/16/45/61/1348164561.db2.gz DNVJKHPEYQDLAP-GBESFXJTSA-N 2 1 349.563 3.218 20 0 EGADMP CC[N@@H+](C)Cc1ccccc1CNC(=O)c1sccc1C[NH+](C)C ZINC001050247553 1348217881 /nfs/dbraw/zinc/21/78/81/1348217881.db2.gz GBNZASMELMRYPF-UHFFFAOYSA-N 2 1 345.512 3.191 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001050252429 1348218739 /nfs/dbraw/zinc/21/87/39/1348218739.db2.gz KDBXNGCEOZTNSX-UXHICEINSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001050252429 1348218740 /nfs/dbraw/zinc/21/87/40/1348218740.db2.gz KDBXNGCEOZTNSX-UXHICEINSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001050252429 1348218744 /nfs/dbraw/zinc/21/87/44/1348218744.db2.gz KDBXNGCEOZTNSX-UXHICEINSA-N 2 1 343.515 3.160 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)CC1 ZINC001050367672 1348240574 /nfs/dbraw/zinc/24/05/74/1348240574.db2.gz OCNRPHRBKUQKRG-IHPCNDPISA-N 2 1 347.547 3.236 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)C2)CC1 ZINC001050392826 1348249049 /nfs/dbraw/zinc/24/90/49/1348249049.db2.gz INMGHLCNMVVRBO-DRRJLQACSA-N 2 1 349.563 3.172 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001050521453 1348282967 /nfs/dbraw/zinc/28/29/67/1348282967.db2.gz YCOGAUFCSRTRAA-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(CC)CC)CC2 ZINC001050536517 1348285828 /nfs/dbraw/zinc/28/58/28/1348285828.db2.gz LZDHQIKZDDXVIZ-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC3(C2)CC[NH+](CCC(C)C)CC3)C1 ZINC001050629862 1348308697 /nfs/dbraw/zinc/30/86/97/1348308697.db2.gz HTXYZSCQAXJUNO-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2CCC2)CC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001052447536 1348543534 /nfs/dbraw/zinc/54/35/34/1348543534.db2.gz GZIRPSZXLXSBMB-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CC2CCC2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001052447536 1348543535 /nfs/dbraw/zinc/54/35/35/1348543535.db2.gz GZIRPSZXLXSBMB-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CC2CCC2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001052447536 1348543536 /nfs/dbraw/zinc/54/35/36/1348543536.db2.gz GZIRPSZXLXSBMB-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052448413 1348544428 /nfs/dbraw/zinc/54/44/28/1348544428.db2.gz ZADLTIOPUYVZES-SJORKVTESA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052448413 1348544429 /nfs/dbraw/zinc/54/44/29/1348544429.db2.gz ZADLTIOPUYVZES-SJORKVTESA-N 2 1 346.519 3.167 20 0 EGADMP Cc1c(C(=O)N[C@H]2CCC[N@@H+](CCC3CC3)CC2)ccc2c[nH+]cn21 ZINC001052515014 1348563858 /nfs/dbraw/zinc/56/38/58/1348563858.db2.gz XWHMVLKPEZKSOH-KRWDZBQOSA-N 2 1 340.471 3.027 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2CCCC2)CC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001052590808 1348588921 /nfs/dbraw/zinc/58/89/21/1348588921.db2.gz HAGWFQYHIVPLLC-VQTJNVASSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC001052658031 1348617104 /nfs/dbraw/zinc/61/71/04/1348617104.db2.gz DYLYYXLHHSWERL-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)CC2)CC[NH+]1C ZINC001052658031 1348617105 /nfs/dbraw/zinc/61/71/05/1348617105.db2.gz DYLYYXLHHSWERL-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)CC2)CC[NH+]1C ZINC001052658031 1348617108 /nfs/dbraw/zinc/61/71/08/1348617108.db2.gz DYLYYXLHHSWERL-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CCC(C)(C)C)CC2)CC[N@H+]1C ZINC001052658791 1348617221 /nfs/dbraw/zinc/61/72/21/1348617221.db2.gz YPNFMZBKRSZWSW-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCC(C)(C)C)CC2)CC[NH+]1C ZINC001052658791 1348617224 /nfs/dbraw/zinc/61/72/24/1348617224.db2.gz YPNFMZBKRSZWSW-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCC(C)(C)C)CC2)CC[NH+]1C ZINC001052658791 1348617226 /nfs/dbraw/zinc/61/72/26/1348617226.db2.gz YPNFMZBKRSZWSW-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764386 1348669367 /nfs/dbraw/zinc/66/93/67/1348669367.db2.gz NTYLAOFRHHOANK-MOPGFXCFSA-N 2 1 335.536 3.188 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCCC3CCC3)CC2)CC1 ZINC001052819017 1348688812 /nfs/dbraw/zinc/68/88/12/1348688812.db2.gz BUEXQOHRPUPUFE-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](CCC3CCCCC3)CC2)C1 ZINC001052867329 1348710387 /nfs/dbraw/zinc/71/03/87/1348710387.db2.gz LIQLWYPJXMRQLC-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@H+](CCC3CCCCC3)CC2)C1 ZINC001052867329 1348710391 /nfs/dbraw/zinc/71/03/91/1348710391.db2.gz LIQLWYPJXMRQLC-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@@H+](CCC3CCCCC3)CC2)C1 ZINC001052867329 1348710396 /nfs/dbraw/zinc/71/03/96/1348710396.db2.gz LIQLWYPJXMRQLC-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052934087 1348754506 /nfs/dbraw/zinc/75/45/06/1348754506.db2.gz HRGGHTBQLDPWRW-UXHICEINSA-N 2 1 343.515 3.204 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC001052956804 1348771326 /nfs/dbraw/zinc/77/13/26/1348771326.db2.gz ZDKOJZKWNLQDAD-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001052956804 1348771331 /nfs/dbraw/zinc/77/13/31/1348771331.db2.gz ZDKOJZKWNLQDAD-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001052956804 1348771333 /nfs/dbraw/zinc/77/13/33/1348771333.db2.gz ZDKOJZKWNLQDAD-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001053029102 1348828009 /nfs/dbraw/zinc/82/80/09/1348828009.db2.gz YNQGTNNCPTXINN-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001053051390 1348854710 /nfs/dbraw/zinc/85/47/10/1348854710.db2.gz OIGVVUXRYOQCOQ-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053100471 1348933609 /nfs/dbraw/zinc/93/36/09/1348933609.db2.gz HIIJRZRMKHWNIH-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053107357 1348946122 /nfs/dbraw/zinc/94/61/22/1348946122.db2.gz FWKLYXCQSKMHDR-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054183033 1349186123 /nfs/dbraw/zinc/18/61/23/1349186123.db2.gz WRBUVJDONCUWIC-CTNGQTDRSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001054183033 1349186124 /nfs/dbraw/zinc/18/61/24/1349186124.db2.gz WRBUVJDONCUWIC-CTNGQTDRSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054183033 1349186126 /nfs/dbraw/zinc/18/61/26/1349186126.db2.gz WRBUVJDONCUWIC-CTNGQTDRSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCc2ccc3c(c2)C[NH+](C(C)C)C3)C1 ZINC001054268556 1349266866 /nfs/dbraw/zinc/26/68/66/1349266866.db2.gz PQAXOCONAYAYCM-LJQANCHMSA-N 2 1 343.515 3.005 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NCc2ccc3c(c2)C[N@H+](C(C)C)C3)C1 ZINC001054268556 1349266867 /nfs/dbraw/zinc/26/68/67/1349266867.db2.gz PQAXOCONAYAYCM-LJQANCHMSA-N 2 1 343.515 3.005 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NCc2ccc3c(c2)C[N@@H+](C(C)C)C3)C1 ZINC001054268556 1349266869 /nfs/dbraw/zinc/26/68/69/1349266869.db2.gz PQAXOCONAYAYCM-LJQANCHMSA-N 2 1 343.515 3.005 20 0 EGADMP Clc1ccc([C@@H]2CC[N@@H+](CC[C@@H]3C[NH2+]CCO3)C2)cc1Cl ZINC001235882998 1376908966 /nfs/dbraw/zinc/90/89/66/1376908966.db2.gz WEQIYIICHLROBI-ZIAGYGMSSA-N 2 1 329.271 3.161 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001080557368 1357678601 /nfs/dbraw/zinc/67/86/01/1357678601.db2.gz RBKAHBWLFPHBBD-MISYRCLQSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001080557368 1357678607 /nfs/dbraw/zinc/67/86/07/1357678607.db2.gz RBKAHBWLFPHBBD-MISYRCLQSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C ZINC001080557368 1357678610 /nfs/dbraw/zinc/67/86/10/1357678610.db2.gz RBKAHBWLFPHBBD-MISYRCLQSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001080557316 1357678653 /nfs/dbraw/zinc/67/86/53/1357678653.db2.gz PCXWTNWYDNVZIN-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C ZINC001080557316 1357678660 /nfs/dbraw/zinc/67/86/60/1357678660.db2.gz PCXWTNWYDNVZIN-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C ZINC001080557316 1357678661 /nfs/dbraw/zinc/67/86/61/1357678661.db2.gz PCXWTNWYDNVZIN-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001082741087 1358085951 /nfs/dbraw/zinc/08/59/51/1358085951.db2.gz PBBYZSBQDLYDJT-ZIFCJYIRSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071508242 1354733789 /nfs/dbraw/zinc/73/37/89/1354733789.db2.gz LHCLWGFEYDJHMC-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC3CCC3)C2)ccc2c[nH+]cn21 ZINC001071627387 1354811761 /nfs/dbraw/zinc/81/17/61/1354811761.db2.gz FCFWAXQFXQJCCP-PBHICJAKSA-N 2 1 340.471 3.026 20 0 EGADMP CCCC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001071702083 1354862173 /nfs/dbraw/zinc/86/21/73/1354862173.db2.gz SYMSOWYRDJGPEF-HKUYNNGSSA-N 2 1 345.531 3.174 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CC1=CCCCC1 ZINC001071821287 1354960982 /nfs/dbraw/zinc/96/09/82/1354960982.db2.gz MEOLKTLSNGOGFY-HKUYNNGSSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CC1=CCCCC1 ZINC001071821287 1354960984 /nfs/dbraw/zinc/96/09/84/1354960984.db2.gz MEOLKTLSNGOGFY-HKUYNNGSSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CC1=CCCCC1 ZINC001071821287 1354960987 /nfs/dbraw/zinc/96/09/87/1354960987.db2.gz MEOLKTLSNGOGFY-HKUYNNGSSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001071870120 1354995042 /nfs/dbraw/zinc/99/50/42/1354995042.db2.gz ZENOZUMPVSGOJQ-IAGOWNOFSA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001071870120 1354995046 /nfs/dbraw/zinc/99/50/46/1354995046.db2.gz ZENOZUMPVSGOJQ-IAGOWNOFSA-N 2 1 334.508 3.022 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001071919681 1355024657 /nfs/dbraw/zinc/02/46/57/1355024657.db2.gz GFYKKYFYELVKPK-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001072909513 1355492244 /nfs/dbraw/zinc/49/22/44/1355492244.db2.gz DRBSJMXCCRTINV-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001072909513 1355492247 /nfs/dbraw/zinc/49/22/47/1355492247.db2.gz DRBSJMXCCRTINV-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001072909513 1355492250 /nfs/dbraw/zinc/49/22/50/1355492250.db2.gz DRBSJMXCCRTINV-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cccc(C)c1)[NH+](C)C ZINC001074028715 1356042575 /nfs/dbraw/zinc/04/25/75/1356042575.db2.gz IFDIDAOOKUWSFA-WOJBJXKFSA-N 2 1 345.531 3.148 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1ccccc1)[NH+](C)C ZINC001074030325 1356043383 /nfs/dbraw/zinc/04/33/83/1356043383.db2.gz OWMYZNLLGLFEHF-MISYRCLQSA-N 2 1 345.531 3.401 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)Cc1ccsc1 ZINC001074062992 1356061407 /nfs/dbraw/zinc/06/14/07/1356061407.db2.gz CXRVXJCUARBYLW-FUHWJXTLSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccsc1 ZINC001074062992 1356061408 /nfs/dbraw/zinc/06/14/08/1356061408.db2.gz CXRVXJCUARBYLW-FUHWJXTLSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccsc1 ZINC001074062992 1356061410 /nfs/dbraw/zinc/06/14/10/1356061410.db2.gz CXRVXJCUARBYLW-FUHWJXTLSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001074693513 1356224412 /nfs/dbraw/zinc/22/44/12/1356224412.db2.gz DKTPSYYNPOFDSV-WDSOQIARSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001074693785 1356224673 /nfs/dbraw/zinc/22/46/73/1356224673.db2.gz SIQJROQEFKDKSY-IHPCNDPISA-N 2 1 347.547 3.330 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CC3CCCCC3)[C@@H]2C)C1 ZINC001074826014 1356256540 /nfs/dbraw/zinc/25/65/40/1356256540.db2.gz RNFHIOLDRLJQIL-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458889 1356391675 /nfs/dbraw/zinc/39/16/75/1356391675.db2.gz SALREMZGPVYZGB-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458889 1356391679 /nfs/dbraw/zinc/39/16/79/1356391679.db2.gz SALREMZGPVYZGB-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458889 1356391682 /nfs/dbraw/zinc/39/16/82/1356391682.db2.gz SALREMZGPVYZGB-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001082522709 1358053724 /nfs/dbraw/zinc/05/37/24/1358053724.db2.gz YQAYAZLBOVCGRM-GSEOLPGOSA-N 2 1 347.547 3.044 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001082698720 1358078082 /nfs/dbraw/zinc/07/80/82/1358078082.db2.gz XMVVAHLYNBHLGH-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCC(C)(C)C)C[C@H]21)[NH+]1CCCCCC1 ZINC001084701107 1358285834 /nfs/dbraw/zinc/28/58/34/1358285834.db2.gz OKCSXTDCZGCSTG-GUDVDZBRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084958119 1358354766 /nfs/dbraw/zinc/35/47/66/1358354766.db2.gz MFAGEQIOHGRFNZ-AABGKKOBSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958119 1358354768 /nfs/dbraw/zinc/35/47/68/1358354768.db2.gz MFAGEQIOHGRFNZ-AABGKKOBSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958119 1358354769 /nfs/dbraw/zinc/35/47/69/1358354769.db2.gz MFAGEQIOHGRFNZ-AABGKKOBSA-N 2 1 347.547 3.138 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCCC3CCCC3)[C@H]2C1)[NH+](C)C ZINC001084970607 1358356559 /nfs/dbraw/zinc/35/65/59/1358356559.db2.gz MMKJRYGXPFBDAI-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085217939 1358436318 /nfs/dbraw/zinc/43/63/18/1358436318.db2.gz YOCRZASUVCJPQB-QRVBRYPASA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1 ZINC001085352535 1358476475 /nfs/dbraw/zinc/47/64/75/1358476475.db2.gz LGASUUZGAPORJD-QRVBRYPASA-N 2 1 335.536 3.066 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1=CCCCC1 ZINC001085687552 1358687808 /nfs/dbraw/zinc/68/78/08/1358687808.db2.gz QNLADQXKBHBVLS-UXHICEINSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001085687552 1358687823 /nfs/dbraw/zinc/68/78/23/1358687823.db2.gz QNLADQXKBHBVLS-UXHICEINSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1=CCCCC1 ZINC001085687552 1358687836 /nfs/dbraw/zinc/68/78/36/1358687836.db2.gz QNLADQXKBHBVLS-UXHICEINSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC(C)(C)C ZINC001085687682 1358688192 /nfs/dbraw/zinc/68/81/92/1358688192.db2.gz SUWBXQVBUBMRSI-QZTJIDSGSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC(C)(C)C ZINC001085687682 1358688194 /nfs/dbraw/zinc/68/81/94/1358688194.db2.gz SUWBXQVBUBMRSI-QZTJIDSGSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001085687682 1358688197 /nfs/dbraw/zinc/68/81/97/1358688197.db2.gz SUWBXQVBUBMRSI-QZTJIDSGSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCC2CCCC2)C1 ZINC001085778610 1358753710 /nfs/dbraw/zinc/75/37/10/1358753710.db2.gz CLYJOHZAXMDOLQ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCC2CCCC2)C1 ZINC001085778610 1358753714 /nfs/dbraw/zinc/75/37/14/1358753714.db2.gz CLYJOHZAXMDOLQ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCC2CCCC2)C1 ZINC001085778610 1358753717 /nfs/dbraw/zinc/75/37/17/1358753717.db2.gz CLYJOHZAXMDOLQ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C[C@@H]1CC[N@@H+]1CCCC1CCC1)C(=O)c1occc1C[NH+](C)C ZINC001085788953 1358762716 /nfs/dbraw/zinc/76/27/16/1358762716.db2.gz XTKJMFOHJGYGQW-SFHVURJKSA-N 2 1 347.503 3.068 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCCC1CCC1)C(=O)c1occc1C[NH+](C)C ZINC001085788953 1358762720 /nfs/dbraw/zinc/76/27/20/1358762720.db2.gz XTKJMFOHJGYGQW-SFHVURJKSA-N 2 1 347.503 3.068 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CC(C)(C)C2)CC1 ZINC001085901411 1358859912 /nfs/dbraw/zinc/85/99/12/1358859912.db2.gz DWSKJLSDRBKXOT-IBGZPJMESA-N 2 1 349.563 3.076 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC=C(C)C ZINC001085919187 1358878333 /nfs/dbraw/zinc/87/83/33/1358878333.db2.gz VLUBMRVSYBVLNK-RBUKOAKNSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC=C(C)C ZINC001085919187 1358878338 /nfs/dbraw/zinc/87/83/38/1358878338.db2.gz VLUBMRVSYBVLNK-RBUKOAKNSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC=C(C)C ZINC001085919187 1358878342 /nfs/dbraw/zinc/87/83/42/1358878342.db2.gz VLUBMRVSYBVLNK-RBUKOAKNSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC=C(C)C ZINC001085919187 1358878348 /nfs/dbraw/zinc/87/83/48/1358878348.db2.gz VLUBMRVSYBVLNK-RBUKOAKNSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001183870040 1387363719 /nfs/dbraw/zinc/36/37/19/1387363719.db2.gz YTCJSMGHTPZDRC-LXORQPIJSA-N 2 1 335.536 3.044 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC=C(C)C)o1 ZINC001085994704 1358949819 /nfs/dbraw/zinc/94/98/19/1358949819.db2.gz RZAQDVAJQDFHEN-KRWDZBQOSA-N 2 1 347.503 3.234 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2CC=C(C)C)o1 ZINC001085994704 1358949822 /nfs/dbraw/zinc/94/98/22/1358949822.db2.gz RZAQDVAJQDFHEN-KRWDZBQOSA-N 2 1 347.503 3.234 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086216906 1359030867 /nfs/dbraw/zinc/03/08/67/1359030867.db2.gz FZCKMLXHYPGTCR-NZSAHSFTSA-N 2 1 349.563 3.170 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086278639 1359051676 /nfs/dbraw/zinc/05/16/76/1359051676.db2.gz GUSCUJYSEOQHTB-IZBJGVDFSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001086364775 1359078335 /nfs/dbraw/zinc/07/83/35/1359078335.db2.gz RCIJUCAMSHNHIU-VAMGGRTRSA-N 2 1 349.563 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086382804 1359083630 /nfs/dbraw/zinc/08/36/30/1359083630.db2.gz YLITVCQSWXQZQG-ZULIPRJHSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086784836 1359201373 /nfs/dbraw/zinc/20/13/73/1359201373.db2.gz WGSZONARIKUFMN-SCTDSRPQSA-N 2 1 335.536 3.066 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001086820211 1359208471 /nfs/dbraw/zinc/20/84/71/1359208471.db2.gz UQNFOBSFLPYHMT-ZCNNSNEGSA-N 2 1 349.563 3.314 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001086875603 1359219054 /nfs/dbraw/zinc/21/90/54/1359219054.db2.gz YLQPLVGWXSCYSG-IPMKNSEASA-N 2 1 349.563 3.029 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C(C)C ZINC001087168406 1359312273 /nfs/dbraw/zinc/31/22/73/1359312273.db2.gz LIHAFYNQVSSKOX-IKGGRYGDSA-N 2 1 334.508 3.022 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001087212460 1359322714 /nfs/dbraw/zinc/32/27/14/1359322714.db2.gz CIPVSVMCQWCCIJ-HBFSDRIKSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CC1 ZINC001087222340 1359325673 /nfs/dbraw/zinc/32/56/73/1359325673.db2.gz XMEIADGOWIMZSS-AEFFLSMTSA-N 2 1 346.519 3.023 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001087578885 1359539168 /nfs/dbraw/zinc/53/91/68/1359539168.db2.gz VMYOBYFQPCSJPA-INDMIFKZSA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1CC ZINC001087578885 1359539172 /nfs/dbraw/zinc/53/91/72/1359539172.db2.gz VMYOBYFQPCSJPA-INDMIFKZSA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1CC ZINC001087578885 1359539180 /nfs/dbraw/zinc/53/91/80/1359539180.db2.gz VMYOBYFQPCSJPA-INDMIFKZSA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3=CCCCC3)[C@@H]2CC)CC[NH+]1C ZINC001087578714 1359539748 /nfs/dbraw/zinc/53/97/48/1359539748.db2.gz KZIVRCRTUUPFRZ-VNTMZGSJSA-N 2 1 347.547 3.186 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC[NH+]1CC1=CCCCC1 ZINC001087578714 1359539751 /nfs/dbraw/zinc/53/97/51/1359539751.db2.gz KZIVRCRTUUPFRZ-VNTMZGSJSA-N 2 1 347.547 3.186 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC[NH+]1CC1=CCCCC1 ZINC001087578714 1359539754 /nfs/dbraw/zinc/53/97/54/1359539754.db2.gz KZIVRCRTUUPFRZ-VNTMZGSJSA-N 2 1 347.547 3.186 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC[N@H+]1CC=C(C)C ZINC001087602239 1359550167 /nfs/dbraw/zinc/55/01/67/1359550167.db2.gz FZHSQJXFFKCLSS-GBESFXJTSA-N 2 1 335.536 3.185 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CC=C(C)C ZINC001087602239 1359550170 /nfs/dbraw/zinc/55/01/70/1359550170.db2.gz FZHSQJXFFKCLSS-GBESFXJTSA-N 2 1 335.536 3.185 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC[NH+]1CC=C(C)C ZINC001087602239 1359550173 /nfs/dbraw/zinc/55/01/73/1359550173.db2.gz FZHSQJXFFKCLSS-GBESFXJTSA-N 2 1 335.536 3.185 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@@H+]1CCC1CCCCC1 ZINC001087659637 1359576674 /nfs/dbraw/zinc/57/66/74/1359576674.db2.gz SSUWHYCRLWGWJC-RBUKOAKNSA-N 2 1 346.519 3.131 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@H+]1CCC1CCCCC1 ZINC001087659637 1359576675 /nfs/dbraw/zinc/57/66/75/1359576675.db2.gz SSUWHYCRLWGWJC-RBUKOAKNSA-N 2 1 346.519 3.131 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087699427 1359598607 /nfs/dbraw/zinc/59/86/07/1359598607.db2.gz SWANJKQWIWGPOK-OTWHNJEPSA-N 2 1 335.536 3.163 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087699427 1359598609 /nfs/dbraw/zinc/59/86/09/1359598609.db2.gz SWANJKQWIWGPOK-OTWHNJEPSA-N 2 1 335.536 3.163 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087699427 1359598610 /nfs/dbraw/zinc/59/86/10/1359598610.db2.gz SWANJKQWIWGPOK-OTWHNJEPSA-N 2 1 335.536 3.163 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC1CCC(C)CC1 ZINC001087712221 1359604938 /nfs/dbraw/zinc/60/49/38/1359604938.db2.gz VVYQMSRVMVTQLE-ZYKFHVCXSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[N@@H+]1CC1CCCC1 ZINC001087744675 1359624126 /nfs/dbraw/zinc/62/41/26/1359624126.db2.gz DTAZLWRQRSOVNM-ZWKOTPCHSA-N 2 1 346.519 3.166 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[N@H+]1CC1CCCC1 ZINC001087744675 1359624129 /nfs/dbraw/zinc/62/41/29/1359624129.db2.gz DTAZLWRQRSOVNM-ZWKOTPCHSA-N 2 1 346.519 3.166 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1CC ZINC001087773748 1359637046 /nfs/dbraw/zinc/63/70/46/1359637046.db2.gz FJWKBLQLGDJKKE-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)CC[N@H+]1CCCC1CCC1 ZINC001087812375 1359659067 /nfs/dbraw/zinc/65/90/67/1359659067.db2.gz JXMTZBUYXKICOZ-ZVDOUQERSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC[NH+]1CCCC1CCC1 ZINC001087812375 1359659070 /nfs/dbraw/zinc/65/90/70/1359659070.db2.gz JXMTZBUYXKICOZ-ZVDOUQERSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC[NH+]1CCCC1CCC1 ZINC001087812375 1359659074 /nfs/dbraw/zinc/65/90/74/1359659074.db2.gz JXMTZBUYXKICOZ-ZVDOUQERSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1CCC1CC1 ZINC001087840845 1359675049 /nfs/dbraw/zinc/67/50/49/1359675049.db2.gz QFKVRPKLPJKGES-VQTJNVASSA-N 2 1 343.515 3.131 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1CC[C@H](C)F ZINC001087840731 1359675238 /nfs/dbraw/zinc/67/52/38/1359675238.db2.gz LAAHOTQWVPRCLE-ZYSHUDEJSA-N 2 1 349.494 3.079 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001088280297 1359825605 /nfs/dbraw/zinc/82/56/05/1359825605.db2.gz NNPDHTGYQNLETM-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001088323390 1359831087 /nfs/dbraw/zinc/83/10/87/1359831087.db2.gz MYNCJDQCDLXECA-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001088381490 1359865259 /nfs/dbraw/zinc/86/52/59/1359865259.db2.gz FYSJEGABSXCKBH-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1 ZINC001088394546 1359870677 /nfs/dbraw/zinc/87/06/77/1359870677.db2.gz JBSFNWUQFKIMMC-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001088424940 1359893982 /nfs/dbraw/zinc/89/39/82/1359893982.db2.gz JPLKVKXNXURCSN-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)[C@@H]1C ZINC001088693183 1360015313 /nfs/dbraw/zinc/01/53/13/1360015313.db2.gz OHZVSDKHJICUKT-FGTMMUONSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)[C@@H]1C ZINC001088693183 1360015318 /nfs/dbraw/zinc/01/53/18/1360015318.db2.gz OHZVSDKHJICUKT-FGTMMUONSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H]1C ZINC001088693183 1360015327 /nfs/dbraw/zinc/01/53/27/1360015327.db2.gz OHZVSDKHJICUKT-FGTMMUONSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC(C)(C)C3)[C@@H]2C)CC1 ZINC001088951801 1360112022 /nfs/dbraw/zinc/11/20/22/1360112022.db2.gz IDCHTSDPNPFYOA-APWZRJJASA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001323735653 1387436989 /nfs/dbraw/zinc/43/69/89/1387436989.db2.gz AVOCJQKFZZFXQK-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC2CCCC2)CC[N@H+]1C ZINC001089218033 1360262682 /nfs/dbraw/zinc/26/26/82/1360262682.db2.gz USPVBKAWWKDRIS-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2C[N@H+](C)CC2CCCC2)CC[NH+]1C ZINC001089218033 1360262687 /nfs/dbraw/zinc/26/26/87/1360262687.db2.gz USPVBKAWWKDRIS-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CCCC2)CC[NH+]1C ZINC001089218033 1360262689 /nfs/dbraw/zinc/26/26/89/1360262689.db2.gz USPVBKAWWKDRIS-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001089221047 1360264444 /nfs/dbraw/zinc/26/44/44/1360264444.db2.gz XPFFUQIJDLDEDR-FQEVSTJZSA-N 2 1 347.547 3.142 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001089259391 1360288515 /nfs/dbraw/zinc/28/85/15/1360288515.db2.gz IZDUQSNSISKKMI-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC3CCCC3)CC(C)(C)C2)CC[N@H+]1C ZINC001089389889 1360390757 /nfs/dbraw/zinc/39/07/57/1360390757.db2.gz WNYDQIKEBKXSES-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)CC(C)(C)C2)CC[NH+]1C ZINC001089389889 1360390760 /nfs/dbraw/zinc/39/07/60/1360390760.db2.gz WNYDQIKEBKXSES-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)CC(C)(C)C2)CC[NH+]1C ZINC001089389889 1360390762 /nfs/dbraw/zinc/39/07/62/1360390762.db2.gz WNYDQIKEBKXSES-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089401811 1360401660 /nfs/dbraw/zinc/40/16/60/1360401660.db2.gz XTAZSBNFTQNBSR-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC(C)(C)C1 ZINC001089401811 1360401663 /nfs/dbraw/zinc/40/16/63/1360401663.db2.gz XTAZSBNFTQNBSR-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1 ZINC001089401811 1360401667 /nfs/dbraw/zinc/40/16/67/1360401667.db2.gz XTAZSBNFTQNBSR-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089426527 1360419174 /nfs/dbraw/zinc/41/91/74/1360419174.db2.gz IYEDRIZWRCPBBJ-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089426527 1360419175 /nfs/dbraw/zinc/41/91/75/1360419175.db2.gz IYEDRIZWRCPBBJ-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC(C)(C)C1 ZINC001089426527 1360419180 /nfs/dbraw/zinc/41/91/80/1360419180.db2.gz IYEDRIZWRCPBBJ-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089559134 1360507292 /nfs/dbraw/zinc/50/72/92/1360507292.db2.gz MZFVQGFFUSKZIM-SFHVURJKSA-N 2 1 348.535 3.235 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089559134 1360507296 /nfs/dbraw/zinc/50/72/96/1360507296.db2.gz MZFVQGFFUSKZIM-SFHVURJKSA-N 2 1 348.535 3.235 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089662839 1360572964 /nfs/dbraw/zinc/57/29/64/1360572964.db2.gz GKEULCREWHWIBE-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001089662839 1360572968 /nfs/dbraw/zinc/57/29/68/1360572968.db2.gz GKEULCREWHWIBE-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001089662839 1360572973 /nfs/dbraw/zinc/57/29/73/1360572973.db2.gz GKEULCREWHWIBE-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001089694132 1360598779 /nfs/dbraw/zinc/59/87/79/1360598779.db2.gz SXRIWGKIWNBWJT-IBGZPJMESA-N 2 1 345.531 3.031 20 0 EGADMP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089725711 1360628529 /nfs/dbraw/zinc/62/85/29/1360628529.db2.gz KUNICEZEGZBADP-INIZCTEOSA-N 2 1 346.519 3.168 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001089725711 1360628531 /nfs/dbraw/zinc/62/85/31/1360628531.db2.gz KUNICEZEGZBADP-INIZCTEOSA-N 2 1 346.519 3.168 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC)o1 ZINC001089734812 1360639750 /nfs/dbraw/zinc/63/97/50/1360639750.db2.gz YGKVOOYOYPBCSJ-MRXNPFEDSA-N 2 1 349.519 3.362 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCC3CCCCC3)C2)CC[N@H+]1C ZINC001091039220 1360984018 /nfs/dbraw/zinc/98/40/18/1360984018.db2.gz SXNRWUHIBFXOSX-GHBBCFCZSA-N 2 1 349.563 3.172 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CCCC2)C1 ZINC001091319031 1361042473 /nfs/dbraw/zinc/04/24/73/1361042473.db2.gz ZSSGFMLVTRQDEJ-SOAGJPPSSA-N 2 1 349.563 3.316 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCC2CC2)C[C@H]1C ZINC001093120331 1361533282 /nfs/dbraw/zinc/53/32/82/1361533282.db2.gz GTHZVEMTPMWNGR-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001093120331 1361533284 /nfs/dbraw/zinc/53/32/84/1361533284.db2.gz GTHZVEMTPMWNGR-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001093120331 1361533287 /nfs/dbraw/zinc/53/32/87/1361533287.db2.gz GTHZVEMTPMWNGR-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](C(=O)N1CCC([C@H]2[N@@H+](CC(C)C)CC23CCC3)CC1)[NH+](C)C ZINC001093372486 1361581956 /nfs/dbraw/zinc/58/19/56/1361581956.db2.gz DRAUWTIWKLYGKW-RTBURBONSA-N 2 1 349.563 3.076 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2 ZINC001094450687 1361805913 /nfs/dbraw/zinc/80/59/13/1361805913.db2.gz ZSIZXCLDQGVOGQ-WAOWUJCRSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)(C)C)CC2 ZINC001094450687 1361805918 /nfs/dbraw/zinc/80/59/18/1361805918.db2.gz ZSIZXCLDQGVOGQ-WAOWUJCRSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)(C)C)CC2 ZINC001094450687 1361805925 /nfs/dbraw/zinc/80/59/25/1361805925.db2.gz ZSIZXCLDQGVOGQ-WAOWUJCRSA-N 2 1 349.563 3.268 20 0 EGADMP CN(C)c1ncccc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001324104996 1387543300 /nfs/dbraw/zinc/54/33/00/1387543300.db2.gz DGEGUCOBLKJJTG-QAPCUYQASA-N 2 1 344.528 3.382 20 0 EGADMP CN(C)c1ncccc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001324104996 1387543302 /nfs/dbraw/zinc/54/33/02/1387543302.db2.gz DGEGUCOBLKJJTG-QAPCUYQASA-N 2 1 344.528 3.382 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001095404887 1362129935 /nfs/dbraw/zinc/12/99/35/1362129935.db2.gz DQKPLOOHFOXDIV-FUMNGEBKSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001095404887 1362129937 /nfs/dbraw/zinc/12/99/37/1362129937.db2.gz DQKPLOOHFOXDIV-FUMNGEBKSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001095404887 1362129938 /nfs/dbraw/zinc/12/99/38/1362129938.db2.gz DQKPLOOHFOXDIV-FUMNGEBKSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001095606213 1362183365 /nfs/dbraw/zinc/18/33/65/1362183365.db2.gz WYWSYLPHSUQSJW-SQNIBIBYSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C[NH2+]CC1CC1 ZINC001184891254 1387556069 /nfs/dbraw/zinc/55/60/69/1387556069.db2.gz CRBLDCKDTUFWSH-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812000 1362241604 /nfs/dbraw/zinc/24/16/04/1362241604.db2.gz AWPJAPORVGOLJX-FYQPLNBISA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001097064133 1362829944 /nfs/dbraw/zinc/82/99/44/1362829944.db2.gz ZTFQAQLWDJRGJY-BDXSIMOUSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001097064133 1362829945 /nfs/dbraw/zinc/82/99/45/1362829945.db2.gz ZTFQAQLWDJRGJY-BDXSIMOUSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001097064133 1362829951 /nfs/dbraw/zinc/82/99/51/1362829951.db2.gz ZTFQAQLWDJRGJY-BDXSIMOUSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001098975364 1363550169 /nfs/dbraw/zinc/55/01/69/1363550169.db2.gz HBZHYGQLOHBKEH-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001098975364 1363550171 /nfs/dbraw/zinc/55/01/71/1363550171.db2.gz HBZHYGQLOHBKEH-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001098975364 1363550173 /nfs/dbraw/zinc/55/01/73/1363550173.db2.gz HBZHYGQLOHBKEH-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185169490 1387631838 /nfs/dbraw/zinc/63/18/38/1387631838.db2.gz MEOVKMDYNAQFDY-ROUUACIJSA-N 2 1 339.568 3.229 20 0 EGADMP CC(C)(C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC1)[NH+]1CCCCC1 ZINC001099069609 1363605799 /nfs/dbraw/zinc/60/57/99/1363605799.db2.gz JOZJEPMDUUPXIE-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099110983 1363628419 /nfs/dbraw/zinc/62/84/19/1363628419.db2.gz NHZFLSUUKRSIOK-LKGOPFMKSA-N 2 1 349.563 3.434 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225275 1363700983 /nfs/dbraw/zinc/70/09/83/1363700983.db2.gz QYDBWTDQHYYARH-ZWKOTPCHSA-N 2 1 339.568 3.370 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C ZINC001099276986 1363728569 /nfs/dbraw/zinc/72/85/69/1363728569.db2.gz ZLFPRDMVSFCSCZ-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[C@@H](F)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310643 1363743872 /nfs/dbraw/zinc/74/38/72/1363743872.db2.gz RTYMUMFMDMFGFL-IAGOWNOFSA-N 2 1 343.531 3.073 20 0 EGADMP CC[C@H](C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310908 1363744226 /nfs/dbraw/zinc/74/42/26/1363744226.db2.gz VTWKPJPEPLGDDW-ZWKOTPCHSA-N 2 1 339.568 3.371 20 0 EGADMP CC(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1cncn1C ZINC001099324347 1363750684 /nfs/dbraw/zinc/75/06/84/1363750684.db2.gz KMWRNWQWMJOOBU-GOSISDBHSA-N 2 1 348.535 3.006 20 0 EGADMP CC1(C)CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)[N@@H+](CCC2CC2)C1 ZINC001099354543 1363769397 /nfs/dbraw/zinc/76/93/97/1363769397.db2.gz UPIYDWWATGQFAD-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001099484397 1363815017 /nfs/dbraw/zinc/81/50/17/1363815017.db2.gz PKBGWARRESWPKQ-DSKINZAPSA-N 2 1 347.547 3.022 20 0 EGADMP CCCCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185224749 1387656387 /nfs/dbraw/zinc/65/63/87/1387656387.db2.gz HLYXQTIOEWVKHY-QZTJIDSGSA-N 2 1 348.535 3.271 20 0 EGADMP CCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001100406010 1364104249 /nfs/dbraw/zinc/10/42/49/1364104249.db2.gz XKLZVIZLKVTWGF-FAFZWHIHSA-N 2 1 335.536 3.068 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001100460264 1364122180 /nfs/dbraw/zinc/12/21/80/1364122180.db2.gz XGRPPQIEELCKRK-UHFFFAOYSA-N 2 1 345.531 3.018 20 0 EGADMP C[N@@H+](CC(=O)NCC1CC([NH2+]CCC2CCCC2)C1)CC(C)(C)C ZINC001100681189 1364215808 /nfs/dbraw/zinc/21/58/08/1364215808.db2.gz AHNMHRVNVJXROF-UHFFFAOYSA-N 2 1 337.552 3.029 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001100729330 1364238514 /nfs/dbraw/zinc/23/85/14/1364238514.db2.gz AWLOVXGLCVDMMP-JSEXARSYSA-N 2 1 349.563 3.480 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001100830039 1364282216 /nfs/dbraw/zinc/28/22/16/1364282216.db2.gz YTGRKVHHEVRERK-UHFFFAOYSA-N 2 1 337.552 3.029 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001185306740 1387676945 /nfs/dbraw/zinc/67/69/45/1387676945.db2.gz MQYZFFFEEQMQEB-MJGOQNOKSA-N 2 1 348.535 3.236 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101546651 1364610756 /nfs/dbraw/zinc/61/07/56/1364610756.db2.gz KHUHYKWDEQTUJV-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001101574990 1364629319 /nfs/dbraw/zinc/62/93/19/1364629319.db2.gz OPDYFFVLYSMRJL-UHFFFAOYSA-N 2 1 339.568 3.227 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001102114855 1364866333 /nfs/dbraw/zinc/86/63/33/1364866333.db2.gz HATZVBHWNQPGAJ-AHSYYPKJSA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC001102114855 1364866341 /nfs/dbraw/zinc/86/63/41/1364866341.db2.gz HATZVBHWNQPGAJ-AHSYYPKJSA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H](C)C1 ZINC001102114855 1364866343 /nfs/dbraw/zinc/86/63/43/1364866343.db2.gz HATZVBHWNQPGAJ-AHSYYPKJSA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102601854 1365131435 /nfs/dbraw/zinc/13/14/35/1365131435.db2.gz SOGAKYCGOHNZAL-VJQBDMSCSA-N 2 1 349.563 3.147 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103087784 1365374444 /nfs/dbraw/zinc/37/44/44/1365374444.db2.gz NPZITLHIBTYWRG-SQVVFSSVSA-N 2 1 349.563 3.147 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103090390 1365376162 /nfs/dbraw/zinc/37/61/62/1365376162.db2.gz UAUKAAAUSAIBHX-LXORQPIJSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001103090390 1365376164 /nfs/dbraw/zinc/37/61/64/1365376164.db2.gz UAUKAAAUSAIBHX-LXORQPIJSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001103090390 1365376167 /nfs/dbraw/zinc/37/61/67/1365376167.db2.gz UAUKAAAUSAIBHX-LXORQPIJSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103156467 1365413593 /nfs/dbraw/zinc/41/35/93/1365413593.db2.gz FMPWZXVVDOKJSK-AQRBRUGDSA-N 2 1 337.552 3.147 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001103156467 1365413594 /nfs/dbraw/zinc/41/35/94/1365413594.db2.gz FMPWZXVVDOKJSK-AQRBRUGDSA-N 2 1 337.552 3.147 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001103156467 1365413595 /nfs/dbraw/zinc/41/35/95/1365413595.db2.gz FMPWZXVVDOKJSK-AQRBRUGDSA-N 2 1 337.552 3.147 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001103192525 1365429041 /nfs/dbraw/zinc/42/90/41/1365429041.db2.gz XLEUCWPQKBXKKS-SJLPKXTDSA-N 2 1 342.487 3.212 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103379025 1365525683 /nfs/dbraw/zinc/52/56/83/1365525683.db2.gz WMOJUUGABUCHDB-IPMKNSEASA-N 2 1 339.568 3.085 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CCC1=CCCCC1 ZINC001104000179 1365867594 /nfs/dbraw/zinc/86/75/94/1365867594.db2.gz YBVTYZNUBBAVJI-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]CCCC1CCC1 ZINC001104354938 1365983934 /nfs/dbraw/zinc/98/39/34/1365983934.db2.gz HBRKIOASVRWSAM-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001104676740 1366127390 /nfs/dbraw/zinc/12/73/90/1366127390.db2.gz WAEFJCFVYCZOFA-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c2ccccc2)C1 ZINC001105067388 1366304376 /nfs/dbraw/zinc/30/43/76/1366304376.db2.gz YOPWXIYMQZVQJR-WSTZPKSXSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105517929 1366505127 /nfs/dbraw/zinc/50/51/27/1366505127.db2.gz NATVPONFZWIPKU-OALUTQOASA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001105556480 1366529249 /nfs/dbraw/zinc/52/92/49/1366529249.db2.gz HUUTVHVDVKCALZ-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)CCC1 ZINC001105566346 1366534832 /nfs/dbraw/zinc/53/48/32/1366534832.db2.gz IQOODCCGLRTFKA-QGZVFWFLSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CCCC1CCCC1 ZINC001106322141 1366653570 /nfs/dbraw/zinc/65/35/70/1366653570.db2.gz LEMAXRDZQMGOCG-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CCCC1CCCC1 ZINC001106322142 1366653723 /nfs/dbraw/zinc/65/37/23/1366653723.db2.gz LEMAXRDZQMGOCG-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H](C)CC(C)C)[C@H](C)C1 ZINC001106339870 1366660757 /nfs/dbraw/zinc/66/07/57/1366660757.db2.gz CUEAMLMEQKHRMB-KZNAEPCWSA-N 2 1 339.568 3.083 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001106905175 1366829198 /nfs/dbraw/zinc/82/91/98/1366829198.db2.gz DJLZWTJSBOQCIS-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107408601 1366955250 /nfs/dbraw/zinc/95/52/50/1366955250.db2.gz ZZIOBCKIDNYLQB-YLJYHZDGSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)C3CCCC3)CCC[C@@H]12 ZINC001107458445 1366971160 /nfs/dbraw/zinc/97/11/60/1366971160.db2.gz CAHVSXRGBKTRGH-YLJYHZDGSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@H+](C)C3CCCC3)CCC[C@@H]12 ZINC001107458445 1366971161 /nfs/dbraw/zinc/97/11/61/1366971161.db2.gz CAHVSXRGBKTRGH-YLJYHZDGSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@@H+](C)C3CCCC3)CCC[C@@H]12 ZINC001107458445 1366971162 /nfs/dbraw/zinc/97/11/62/1366971162.db2.gz CAHVSXRGBKTRGH-YLJYHZDGSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001185994023 1387843533 /nfs/dbraw/zinc/84/35/33/1387843533.db2.gz NSEZQENVRXZGRP-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001109289964 1367040405 /nfs/dbraw/zinc/04/04/05/1367040405.db2.gz SNLSKOREEWAAFI-SQNIBIBYSA-N 2 1 335.536 3.163 20 0 EGADMP C[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2)[NH+]1CCCCCC1 ZINC001107567384 1367048555 /nfs/dbraw/zinc/04/85/55/1367048555.db2.gz UDWXEZWNJZXECR-FBBABVLZSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107567725 1367049093 /nfs/dbraw/zinc/04/90/93/1367049093.db2.gz HKCYVNYPEQGHTA-TZIWHRDSSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CCCC1)CC2 ZINC001107582624 1367056978 /nfs/dbraw/zinc/05/69/78/1367056978.db2.gz MPRPGBQCBLAGJG-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643279 1367089617 /nfs/dbraw/zinc/08/96/17/1367089617.db2.gz FLCMZQAKXUTLHB-QKNQBKEWSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189872235 1367121550 /nfs/dbraw/zinc/12/15/50/1367121550.db2.gz WDZRLALXJBXWLA-YSIASYRMSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001186067545 1387858030 /nfs/dbraw/zinc/85/80/30/1387858030.db2.gz LCJXUWFYMRQPMD-QZTJIDSGSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190213051 1367201106 /nfs/dbraw/zinc/20/11/06/1367201106.db2.gz UHTSCQZTLCSMDF-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCc1nccn1[C@@H](C)CC(=O)N1CC[C@@H]([N@H+](C)CC(CC)CC)C1 ZINC001190247494 1367207883 /nfs/dbraw/zinc/20/78/83/1367207883.db2.gz PYDIHJFDRJUXQD-FUHWJXTLSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@H]([N@@H+](C)CC(CC)CC)C1 ZINC001190247494 1367207886 /nfs/dbraw/zinc/20/78/86/1367207886.db2.gz PYDIHJFDRJUXQD-FUHWJXTLSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@H]([N@H+](C)CC(CC)CC)C1 ZINC001190247494 1367207891 /nfs/dbraw/zinc/20/78/91/1367207891.db2.gz PYDIHJFDRJUXQD-FUHWJXTLSA-N 2 1 348.535 3.366 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001186081834 1387862254 /nfs/dbraw/zinc/86/22/54/1387862254.db2.gz BHDUVIILAAMHTI-MGBKSAOESA-N 2 1 335.536 3.186 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC(C)C)C1 ZINC001109635595 1367254825 /nfs/dbraw/zinc/25/48/25/1367254825.db2.gz JQJYDZIWUKOLDE-ZRNYENFQSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC(C)C)C1 ZINC001109635595 1367254832 /nfs/dbraw/zinc/25/48/32/1367254832.db2.gz JQJYDZIWUKOLDE-ZRNYENFQSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC(C)C)C1 ZINC001109635595 1367254838 /nfs/dbraw/zinc/25/48/38/1367254838.db2.gz JQJYDZIWUKOLDE-ZRNYENFQSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655188 1367265636 /nfs/dbraw/zinc/26/56/36/1367265636.db2.gz KBBCCURYQJTDOF-FYQPLNBISA-N 2 1 343.515 3.201 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)c1 ZINC001109655274 1367266221 /nfs/dbraw/zinc/26/62/21/1367266221.db2.gz NMRXJYKNVVCCNV-LMCOJAPRSA-N 2 1 343.515 3.119 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCCC2)C1 ZINC001190483249 1367274534 /nfs/dbraw/zinc/27/45/34/1367274534.db2.gz QJLAWODXNZAGCI-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001190483249 1367274540 /nfs/dbraw/zinc/27/45/40/1367274540.db2.gz QJLAWODXNZAGCI-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001190483249 1367274547 /nfs/dbraw/zinc/27/45/47/1367274547.db2.gz QJLAWODXNZAGCI-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH+](C)CCC(C)(C)C)C1 ZINC001190656383 1367320038 /nfs/dbraw/zinc/32/00/38/1367320038.db2.gz STOQJVVLBVPUCF-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001190656383 1367320040 /nfs/dbraw/zinc/32/00/40/1367320040.db2.gz STOQJVVLBVPUCF-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001190656383 1367320044 /nfs/dbraw/zinc/32/00/44/1367320044.db2.gz STOQJVVLBVPUCF-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001109932553 1367410845 /nfs/dbraw/zinc/41/08/45/1367410845.db2.gz MFWYIMYEIIYUKM-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001109932553 1367410848 /nfs/dbraw/zinc/41/08/48/1367410848.db2.gz MFWYIMYEIIYUKM-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001109932553 1367410849 /nfs/dbraw/zinc/41/08/49/1367410849.db2.gz MFWYIMYEIIYUKM-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001110040229 1367478672 /nfs/dbraw/zinc/47/86/72/1367478672.db2.gz CXEZRNOFDFVQTD-WKRCXCSHSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]13CC[N@H+](C1)CCC3)C2 ZINC001110040229 1367478674 /nfs/dbraw/zinc/47/86/74/1367478674.db2.gz CXEZRNOFDFVQTD-WKRCXCSHSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]13CC[N@@H+](C1)CCC3)C2 ZINC001110040229 1367478675 /nfs/dbraw/zinc/47/86/75/1367478675.db2.gz CXEZRNOFDFVQTD-WKRCXCSHSA-N 2 1 347.547 3.020 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001110158010 1367530822 /nfs/dbraw/zinc/53/08/22/1367530822.db2.gz DRUUIJZZQREUQS-XWSJACJDSA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001110158010 1367530828 /nfs/dbraw/zinc/53/08/28/1367530828.db2.gz DRUUIJZZQREUQS-XWSJACJDSA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001110158010 1367530832 /nfs/dbraw/zinc/53/08/32/1367530832.db2.gz DRUUIJZZQREUQS-XWSJACJDSA-N 2 1 335.536 3.163 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188664 1367556460 /nfs/dbraw/zinc/55/64/60/1367556460.db2.gz LKIGTPKFSBYSMR-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCCC(C)(C)C)C2)CC[N@H+]1C ZINC001191967460 1367651929 /nfs/dbraw/zinc/65/19/29/1367651929.db2.gz IHOSSNHTEWMHJB-OKZBNKHCSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCCC(C)(C)C)C2)CC[NH+]1C ZINC001191967460 1367651933 /nfs/dbraw/zinc/65/19/33/1367651933.db2.gz IHOSSNHTEWMHJB-OKZBNKHCSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C2)CC[NH+]1C ZINC001191967460 1367651937 /nfs/dbraw/zinc/65/19/37/1367651937.db2.gz IHOSSNHTEWMHJB-OKZBNKHCSA-N 2 1 337.552 3.076 20 0 EGADMP COC(=O)CC(C)(C)[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001192435691 1367781917 /nfs/dbraw/zinc/78/19/17/1367781917.db2.gz UKODIHOWLFSNLK-UHFFFAOYSA-N 2 1 332.488 3.446 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccn3C3CC3)c2)CCO1 ZINC001325118085 1387901080 /nfs/dbraw/zinc/90/10/80/1387901080.db2.gz SQJRCOQITVIWKU-KRWDZBQOSA-N 2 1 339.483 3.334 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccn3C3CC3)c2)CCO1 ZINC001325118085 1387901082 /nfs/dbraw/zinc/90/10/82/1387901082.db2.gz SQJRCOQITVIWKU-KRWDZBQOSA-N 2 1 339.483 3.334 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192656952 1367843630 /nfs/dbraw/zinc/84/36/30/1367843630.db2.gz VYCMVUUALMZVGK-RBUKOAKNSA-N 2 1 337.552 3.364 20 0 EGADMP C[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001192654258 1367843808 /nfs/dbraw/zinc/84/38/08/1367843808.db2.gz DYFTVUJQJFPHTC-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192654271 1367844181 /nfs/dbraw/zinc/84/41/81/1367844181.db2.gz FINFXNLJXTUDNA-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001110626449 1367874445 /nfs/dbraw/zinc/87/44/45/1367874445.db2.gz BGFZIEBSKOJVBL-PUROVWCESA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001110626449 1367874450 /nfs/dbraw/zinc/87/44/50/1367874450.db2.gz BGFZIEBSKOJVBL-PUROVWCESA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001110626449 1367874456 /nfs/dbraw/zinc/87/44/56/1367874456.db2.gz BGFZIEBSKOJVBL-PUROVWCESA-N 2 1 347.547 3.329 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001192859759 1367891450 /nfs/dbraw/zinc/89/14/50/1367891450.db2.gz ZMVYUEBQVUSNML-SFHVURJKSA-N 2 1 348.535 3.331 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001192859759 1367891453 /nfs/dbraw/zinc/89/14/53/1367891453.db2.gz ZMVYUEBQVUSNML-SFHVURJKSA-N 2 1 348.535 3.331 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001110684520 1367926333 /nfs/dbraw/zinc/92/63/33/1367926333.db2.gz NGAXGUWBEPPGHJ-ZFTSPJNCSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001110684520 1367926334 /nfs/dbraw/zinc/92/63/34/1367926334.db2.gz NGAXGUWBEPPGHJ-ZFTSPJNCSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001110684520 1367926338 /nfs/dbraw/zinc/92/63/38/1367926338.db2.gz NGAXGUWBEPPGHJ-ZFTSPJNCSA-N 2 1 347.547 3.329 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193279988 1367987515 /nfs/dbraw/zinc/98/75/15/1367987515.db2.gz SDUURUBPXONGRI-RBUKOAKNSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193279988 1367987519 /nfs/dbraw/zinc/98/75/19/1367987519.db2.gz SDUURUBPXONGRI-RBUKOAKNSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193279988 1367987527 /nfs/dbraw/zinc/98/75/27/1367987527.db2.gz SDUURUBPXONGRI-RBUKOAKNSA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862327 1368041581 /nfs/dbraw/zinc/04/15/81/1368041581.db2.gz JZSBKDAUNTUFGI-KURKYZTESA-N 2 1 335.536 3.019 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193500186 1368046950 /nfs/dbraw/zinc/04/69/50/1368046950.db2.gz QUNLTPXMGJGTOM-ZPUOCTKUSA-N 2 1 344.503 3.040 20 0 EGADMP C[C@@H](c1ccccc1F)[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193559013 1368061324 /nfs/dbraw/zinc/06/13/24/1368061324.db2.gz GOCMNQQIQYVRHS-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP CCc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001193571268 1368064584 /nfs/dbraw/zinc/06/45/84/1368064584.db2.gz RDSMXIPMAAEPRH-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CCCC2CCCC2)C1 ZINC001193600266 1368069365 /nfs/dbraw/zinc/06/93/65/1368069365.db2.gz BIGNHNCKLDEHNC-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001193600266 1368069370 /nfs/dbraw/zinc/06/93/70/1368069370.db2.gz BIGNHNCKLDEHNC-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001193600266 1368069373 /nfs/dbraw/zinc/06/93/73/1368069373.db2.gz BIGNHNCKLDEHNC-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2c(C)cccc2C)C1 ZINC001193601109 1368070267 /nfs/dbraw/zinc/07/02/67/1368070267.db2.gz SFGYLQBPFTWYIR-IBGZPJMESA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2c(C)cccc2C)C1 ZINC001193601109 1368070272 /nfs/dbraw/zinc/07/02/72/1368070272.db2.gz SFGYLQBPFTWYIR-IBGZPJMESA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2c(C)cccc2C)C1 ZINC001193601109 1368070273 /nfs/dbraw/zinc/07/02/73/1368070273.db2.gz SFGYLQBPFTWYIR-IBGZPJMESA-N 2 1 345.531 3.068 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2cc(C)cc(C)c2)C1 ZINC001193601152 1368070898 /nfs/dbraw/zinc/07/08/98/1368070898.db2.gz UHELINCXUPUGKZ-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001193601152 1368070907 /nfs/dbraw/zinc/07/09/07/1368070907.db2.gz UHELINCXUPUGKZ-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001193601152 1368070912 /nfs/dbraw/zinc/07/09/12/1368070912.db2.gz UHELINCXUPUGKZ-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001193609780 1368073549 /nfs/dbraw/zinc/07/35/49/1368073549.db2.gz IVKFZNHWAIOYIP-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001193609780 1368073553 /nfs/dbraw/zinc/07/35/53/1368073553.db2.gz IVKFZNHWAIOYIP-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001193609780 1368073558 /nfs/dbraw/zinc/07/35/58/1368073558.db2.gz IVKFZNHWAIOYIP-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001110934760 1368104585 /nfs/dbraw/zinc/10/45/85/1368104585.db2.gz MOWMTTMRYRJFPV-MKXGPGLRSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001110934760 1368104591 /nfs/dbraw/zinc/10/45/91/1368104591.db2.gz MOWMTTMRYRJFPV-MKXGPGLRSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001110934760 1368104597 /nfs/dbraw/zinc/10/45/97/1368104597.db2.gz MOWMTTMRYRJFPV-MKXGPGLRSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001111017884 1368143948 /nfs/dbraw/zinc/14/39/48/1368143948.db2.gz FPUSKJCIOCCAGH-YRXWBPOGSA-N 2 1 337.552 3.409 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194080179 1368179263 /nfs/dbraw/zinc/17/92/63/1368179263.db2.gz HNHANOPHUHJISH-IBGZPJMESA-N 2 1 337.552 3.366 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001111233782 1368210000 /nfs/dbraw/zinc/21/00/00/1368210000.db2.gz WFDWGXAARKFZSA-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001111233782 1368210004 /nfs/dbraw/zinc/21/00/04/1368210004.db2.gz WFDWGXAARKFZSA-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001111233782 1368210008 /nfs/dbraw/zinc/21/00/08/1368210008.db2.gz WFDWGXAARKFZSA-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245444 1368216079 /nfs/dbraw/zinc/21/60/79/1368216079.db2.gz AIXWLZIWIBTZCA-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194245733 1368216159 /nfs/dbraw/zinc/21/61/59/1368216159.db2.gz CYSMEJFUNNHNDQ-LJQANCHMSA-N 2 1 345.531 3.331 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194274441 1368221075 /nfs/dbraw/zinc/22/10/75/1368221075.db2.gz HULUXNHTDDTRSH-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001111309160 1368262777 /nfs/dbraw/zinc/26/27/77/1368262777.db2.gz JTLVRGMNWAUPLZ-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001111309160 1368262780 /nfs/dbraw/zinc/26/27/80/1368262780.db2.gz JTLVRGMNWAUPLZ-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001111309160 1368262783 /nfs/dbraw/zinc/26/27/83/1368262783.db2.gz JTLVRGMNWAUPLZ-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1ccccc1C ZINC001111309142 1368263367 /nfs/dbraw/zinc/26/33/67/1368263367.db2.gz JCBGDALEOFTXOZ-LFGUQSLTSA-N 2 1 343.515 3.119 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ccccc1C ZINC001111309142 1368263370 /nfs/dbraw/zinc/26/33/70/1368263370.db2.gz JCBGDALEOFTXOZ-LFGUQSLTSA-N 2 1 343.515 3.119 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ccccc1C ZINC001111309142 1368263373 /nfs/dbraw/zinc/26/33/73/1368263373.db2.gz JCBGDALEOFTXOZ-LFGUQSLTSA-N 2 1 343.515 3.119 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001111452880 1368309901 /nfs/dbraw/zinc/30/99/01/1368309901.db2.gz BSYQQMUUMBXMJY-AQNXPRMDSA-N 2 1 345.531 3.084 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001186405635 1387935228 /nfs/dbraw/zinc/93/52/28/1387935228.db2.gz VPDUIQCNVDBJEZ-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001111740946 1368438245 /nfs/dbraw/zinc/43/82/45/1368438245.db2.gz VABKVHRXXHUUHI-NSHGMRRFSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001111740946 1368438247 /nfs/dbraw/zinc/43/82/47/1368438247.db2.gz VABKVHRXXHUUHI-NSHGMRRFSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001111740946 1368438249 /nfs/dbraw/zinc/43/82/49/1368438249.db2.gz VABKVHRXXHUUHI-NSHGMRRFSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC1CCC1)C2)C1CCC1 ZINC001111779116 1368458111 /nfs/dbraw/zinc/45/81/11/1368458111.db2.gz VCKZULQTRCCYFZ-RXVVDRJESA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC1CCC1)C2)C1CCC1 ZINC001111779116 1368458114 /nfs/dbraw/zinc/45/81/14/1368458114.db2.gz VCKZULQTRCCYFZ-RXVVDRJESA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC1CCC1)C2)C1CCC1 ZINC001111779116 1368458118 /nfs/dbraw/zinc/45/81/18/1368458118.db2.gz VCKZULQTRCCYFZ-RXVVDRJESA-N 2 1 347.547 3.022 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001111789050 1368462950 /nfs/dbraw/zinc/46/29/50/1368462950.db2.gz VHCIAQPRMJPXQZ-APGBAIEXSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821563 1368482375 /nfs/dbraw/zinc/48/23/75/1368482375.db2.gz WZAFZTOHEYALDI-RXVVDRJESA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCC(C)(C)CC1)C2 ZINC001111861464 1368511406 /nfs/dbraw/zinc/51/14/06/1368511406.db2.gz OJHRBOMWKBJGKZ-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[C@H](C(=O)N1CCC[N@@H+](CC2CCCC2)CC1)n1ccnc1 ZINC001196242428 1368574432 /nfs/dbraw/zinc/57/44/32/1368574432.db2.gz IDSFXFJLVNQNKU-LJQANCHMSA-N 2 1 346.519 3.195 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCN(C(=O)[C@H](CC(C)C)n2ccnc2)CC1 ZINC001196242173 1368574679 /nfs/dbraw/zinc/57/46/79/1368574679.db2.gz FPNNOAUTHHARDS-MSOLQXFVSA-N 2 1 334.508 3.051 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001196275899 1368582484 /nfs/dbraw/zinc/58/24/84/1368582484.db2.gz OSAAZSWLSKTVQI-MOPGFXCFSA-N 2 1 335.536 3.118 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001196275899 1368582490 /nfs/dbraw/zinc/58/24/90/1368582490.db2.gz OSAAZSWLSKTVQI-MOPGFXCFSA-N 2 1 335.536 3.118 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001196275899 1368582491 /nfs/dbraw/zinc/58/24/91/1368582491.db2.gz OSAAZSWLSKTVQI-MOPGFXCFSA-N 2 1 335.536 3.118 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001196718300 1368669883 /nfs/dbraw/zinc/66/98/83/1368669883.db2.gz ZEEBRWHEUHVRCA-SREVYHEPSA-N 2 1 335.536 3.142 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197330662 1368789004 /nfs/dbraw/zinc/78/90/04/1368789004.db2.gz DVYRJUQXFMNIDY-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001197330662 1368789009 /nfs/dbraw/zinc/78/90/09/1368789009.db2.gz DVYRJUQXFMNIDY-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001197330662 1368789013 /nfs/dbraw/zinc/78/90/13/1368789013.db2.gz DVYRJUQXFMNIDY-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001197396832 1368806020 /nfs/dbraw/zinc/80/60/20/1368806020.db2.gz QKGVQDJGCGJJMQ-UHDDOPSISA-N 2 1 347.547 3.284 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001197396832 1368806024 /nfs/dbraw/zinc/80/60/24/1368806024.db2.gz QKGVQDJGCGJJMQ-UHDDOPSISA-N 2 1 347.547 3.284 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001197396832 1368806029 /nfs/dbraw/zinc/80/60/29/1368806029.db2.gz QKGVQDJGCGJJMQ-UHDDOPSISA-N 2 1 347.547 3.284 20 0 EGADMP Cc1nccn1CCCC(=O)N1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001197454694 1368818298 /nfs/dbraw/zinc/81/82/98/1368818298.db2.gz UTPWBNYRQRMGLV-UHFFFAOYSA-N 2 1 346.519 3.086 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[N@H+](CCCC2CCC2)CC1 ZINC001197454694 1368818303 /nfs/dbraw/zinc/81/83/03/1368818303.db2.gz UTPWBNYRQRMGLV-UHFFFAOYSA-N 2 1 346.519 3.086 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001197454694 1368818308 /nfs/dbraw/zinc/81/83/08/1368818308.db2.gz UTPWBNYRQRMGLV-UHFFFAOYSA-N 2 1 346.519 3.086 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)(C)C)C1 ZINC001112529649 1368915761 /nfs/dbraw/zinc/91/57/61/1368915761.db2.gz JCLAHJQFNMQIPM-LQWHRVPQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001197898609 1368921552 /nfs/dbraw/zinc/92/15/52/1368921552.db2.gz HAKDLPFVAYIXIQ-UHFFFAOYSA-N 2 1 345.531 3.070 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@H+](Cc2cc(C)cc(C)c2)CC1 ZINC001197898609 1368921558 /nfs/dbraw/zinc/92/15/58/1368921558.db2.gz HAKDLPFVAYIXIQ-UHFFFAOYSA-N 2 1 345.531 3.070 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2cc(C)cc(C)c2)CC1 ZINC001197898609 1368921560 /nfs/dbraw/zinc/92/15/60/1368921560.db2.gz HAKDLPFVAYIXIQ-UHFFFAOYSA-N 2 1 345.531 3.070 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001197907745 1368922610 /nfs/dbraw/zinc/92/26/10/1368922610.db2.gz LNYUZHFVKDLLRN-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@H+](CC2CCC3(CC3)CC2)CC1 ZINC001197907745 1368922614 /nfs/dbraw/zinc/92/26/14/1368922614.db2.gz LNYUZHFVKDLLRN-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+](CC2CCC3(CC3)CC2)CC1 ZINC001197907745 1368922618 /nfs/dbraw/zinc/92/26/18/1368922618.db2.gz LNYUZHFVKDLLRN-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)C)C1 ZINC001112585796 1368938510 /nfs/dbraw/zinc/93/85/10/1368938510.db2.gz QUZMQIBMQIMBMB-ZJOUEHCJSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258799 1368992081 /nfs/dbraw/zinc/99/20/81/1368992081.db2.gz GGIPULSZQIGPMT-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198258753 1368992182 /nfs/dbraw/zinc/99/21/82/1368992182.db2.gz CHSIGTQGVHNAEL-FQEVSTJZSA-N 2 1 345.531 3.260 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198258753 1368992185 /nfs/dbraw/zinc/99/21/85/1368992185.db2.gz CHSIGTQGVHNAEL-FQEVSTJZSA-N 2 1 345.531 3.260 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001112966464 1369113673 /nfs/dbraw/zinc/11/36/73/1369113673.db2.gz ZUIFNOIKFBCLIV-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@H]2CCC[NH+](CC3CC3)CC2)CC1 ZINC001186605520 1387983508 /nfs/dbraw/zinc/98/35/08/1387983508.db2.gz OOWCIDXHCAGXGK-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@H+](CC3CC3)CC2)CC1 ZINC001186605520 1387983513 /nfs/dbraw/zinc/98/35/13/1387983513.db2.gz OOWCIDXHCAGXGK-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC001186605520 1387983517 /nfs/dbraw/zinc/98/35/17/1387983517.db2.gz OOWCIDXHCAGXGK-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC001199276864 1369200708 /nfs/dbraw/zinc/20/07/08/1369200708.db2.gz VMTUHCKPSRAQJE-XLIONFOSSA-N 2 1 343.515 3.133 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001199414436 1369221535 /nfs/dbraw/zinc/22/15/35/1369221535.db2.gz ZVBQEOIOPNIESJ-UHFFFAOYSA-N 2 1 340.471 3.049 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001113155337 1369232417 /nfs/dbraw/zinc/23/24/17/1369232417.db2.gz PUJDLWKCTRCOQS-VOTSOKGWSA-N 2 1 349.563 3.389 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001200577730 1369392681 /nfs/dbraw/zinc/39/26/81/1369392681.db2.gz FNCRVBPOBBHUBH-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001200894322 1369445247 /nfs/dbraw/zinc/44/52/47/1369445247.db2.gz PHGOWSJRVJVKBP-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ncccc1C ZINC001325582029 1388007227 /nfs/dbraw/zinc/00/72/27/1388007227.db2.gz LGHBHKMTWCNCHK-TZIWHRDSSA-N 2 1 339.483 3.017 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ncccc1C ZINC001325582029 1388007233 /nfs/dbraw/zinc/00/72/33/1388007233.db2.gz LGHBHKMTWCNCHK-TZIWHRDSSA-N 2 1 339.483 3.017 20 0 EGADMP CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001201400107 1369537022 /nfs/dbraw/zinc/53/70/22/1369537022.db2.gz NXSZYIPMKYMKQP-IBGZPJMESA-N 2 1 337.552 3.124 20 0 EGADMP Cc1nc(CN2CCO[C@@H]3C[N@@H+](CCC(C)C)CC[C@@H]3C2)cs1 ZINC001201619554 1369590897 /nfs/dbraw/zinc/59/08/97/1369590897.db2.gz ABTWFNNPVMXCLG-SJLPKXTDSA-N 2 1 337.533 3.020 20 0 EGADMP CSCCC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001201680373 1369604450 /nfs/dbraw/zinc/60/44/50/1369604450.db2.gz GYQGHQJAELNPCS-MRXNPFEDSA-N 2 1 338.517 3.088 20 0 EGADMP CSCCC[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001201680689 1369604870 /nfs/dbraw/zinc/60/48/70/1369604870.db2.gz LGGDJWYMLUHHOE-UHFFFAOYSA-N 2 1 340.558 3.168 20 0 EGADMP CCCCC[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001201735881 1369614407 /nfs/dbraw/zinc/61/44/07/1369614407.db2.gz YGKUOXSHLCWPII-UHFFFAOYSA-N 2 1 331.504 3.186 20 0 EGADMP CC(C)(C)CC[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001202078083 1369682616 /nfs/dbraw/zinc/68/26/16/1369682616.db2.gz OXOAHRPFBQIAPL-UHFFFAOYSA-N 2 1 345.531 3.432 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001202144810 1369700542 /nfs/dbraw/zinc/70/05/42/1369700542.db2.gz KDHKYGQUPLAFIA-GHOSXJJBSA-N 2 1 349.563 3.435 20 0 EGADMP FC(F)(F)CC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001202328438 1369739633 /nfs/dbraw/zinc/73/96/33/1369739633.db2.gz FDVCFIRFRYJTBK-UHFFFAOYSA-N 2 1 342.405 3.306 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CCOC3)C[C@@H]21 ZINC001202486489 1369787242 /nfs/dbraw/zinc/78/72/42/1369787242.db2.gz NSVRAEWKDWDTDP-ZAWLATJESA-N 2 1 334.529 3.317 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC001202486489 1369787248 /nfs/dbraw/zinc/78/72/48/1369787248.db2.gz NSVRAEWKDWDTDP-ZAWLATJESA-N 2 1 334.529 3.317 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC001202486489 1369787253 /nfs/dbraw/zinc/78/72/53/1369787253.db2.gz NSVRAEWKDWDTDP-ZAWLATJESA-N 2 1 334.529 3.317 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001186982116 1388035340 /nfs/dbraw/zinc/03/53/40/1388035340.db2.gz XSLYZUGAXHZBKT-BJAZZSIWSA-N 2 1 335.536 3.188 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC([NH2+]C[C@H](C)CC)CC1 ZINC001202974243 1369942898 /nfs/dbraw/zinc/94/28/98/1369942898.db2.gz SVOCSMZOUWERFC-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203102242 1369983170 /nfs/dbraw/zinc/98/31/70/1369983170.db2.gz HDSVVNXOWCIJEP-JKSUJKDBSA-N 2 1 337.552 3.170 20 0 EGADMP OCc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001203193324 1370018941 /nfs/dbraw/zinc/01/89/41/1370018941.db2.gz KUEHWTKXSCYQGD-FGZHOGPDSA-N 2 1 336.479 3.133 20 0 EGADMP CCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001203283901 1370062179 /nfs/dbraw/zinc/06/21/79/1370062179.db2.gz WVSUDLMWXWOZOQ-IBGZPJMESA-N 2 1 337.552 3.412 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001203442211 1370128109 /nfs/dbraw/zinc/12/81/09/1370128109.db2.gz GRLKHZDNJCTNOE-MRXNPFEDSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+][C@H](CC)c2ccc(F)cc2)CC1 ZINC001203459889 1370134412 /nfs/dbraw/zinc/13/44/12/1370134412.db2.gz LBLFNUHXAJJUFT-LJQANCHMSA-N 2 1 349.494 3.199 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001114921339 1370150500 /nfs/dbraw/zinc/15/05/00/1370150500.db2.gz KXQYEPGIUQQKAV-YVHSZISRSA-N 2 1 347.547 3.042 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2C(NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001114921339 1370150502 /nfs/dbraw/zinc/15/05/02/1370150502.db2.gz KXQYEPGIUQQKAV-YVHSZISRSA-N 2 1 347.547 3.042 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2C(NC(=O)[C@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001114921339 1370150504 /nfs/dbraw/zinc/15/05/04/1370150504.db2.gz KXQYEPGIUQQKAV-YVHSZISRSA-N 2 1 347.547 3.042 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203632782 1370194584 /nfs/dbraw/zinc/19/45/84/1370194584.db2.gz VGUJYPFTBVQBJJ-YZBXUTEPSA-N 2 1 349.563 3.482 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c(C)c1 ZINC001203731751 1370239364 /nfs/dbraw/zinc/23/93/64/1370239364.db2.gz LQAHHKJHLYOFAW-FGZHOGPDSA-N 2 1 342.527 3.484 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c(C)c1 ZINC001203731751 1370239367 /nfs/dbraw/zinc/23/93/67/1370239367.db2.gz LQAHHKJHLYOFAW-FGZHOGPDSA-N 2 1 342.527 3.484 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c(C)c1 ZINC001203731751 1370239371 /nfs/dbraw/zinc/23/93/71/1370239371.db2.gz LQAHHKJHLYOFAW-FGZHOGPDSA-N 2 1 342.527 3.484 20 0 EGADMP Fc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001203784752 1370263036 /nfs/dbraw/zinc/26/30/36/1370263036.db2.gz MQSVKXYNYWYPJG-MOPGFXCFSA-N 2 1 325.431 3.175 20 0 EGADMP Fc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001203784752 1370263042 /nfs/dbraw/zinc/26/30/42/1370263042.db2.gz MQSVKXYNYWYPJG-MOPGFXCFSA-N 2 1 325.431 3.175 20 0 EGADMP Fc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001203784752 1370263045 /nfs/dbraw/zinc/26/30/45/1370263045.db2.gz MQSVKXYNYWYPJG-MOPGFXCFSA-N 2 1 325.431 3.175 20 0 EGADMP Fc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001203784752 1370263046 /nfs/dbraw/zinc/26/30/46/1370263046.db2.gz MQSVKXYNYWYPJG-MOPGFXCFSA-N 2 1 325.431 3.175 20 0 EGADMP CC(=O)Nc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001203928048 1370318429 /nfs/dbraw/zinc/31/84/29/1370318429.db2.gz SWIWTLNVPXZNRE-NHCUHLMSSA-N 2 1 349.478 3.209 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccncc3)C[C@H]21 ZINC001204082736 1370369643 /nfs/dbraw/zinc/36/96/43/1370369643.db2.gz PDFIRUCIRXLUTN-CEWLAPEOSA-N 2 1 336.483 3.209 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccncc3)C[C@H]21 ZINC001204082736 1370369647 /nfs/dbraw/zinc/36/96/47/1370369647.db2.gz PDFIRUCIRXLUTN-CEWLAPEOSA-N 2 1 336.483 3.209 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccncc3)C[C@H]21 ZINC001204082736 1370369653 /nfs/dbraw/zinc/36/96/53/1370369653.db2.gz PDFIRUCIRXLUTN-CEWLAPEOSA-N 2 1 336.483 3.209 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccncc3)C[C@H]21 ZINC001204082736 1370369656 /nfs/dbraw/zinc/36/96/56/1370369656.db2.gz PDFIRUCIRXLUTN-CEWLAPEOSA-N 2 1 336.483 3.209 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC001204082736 1370369660 /nfs/dbraw/zinc/36/96/60/1370369660.db2.gz PDFIRUCIRXLUTN-CEWLAPEOSA-N 2 1 336.483 3.209 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC001204082736 1370369668 /nfs/dbraw/zinc/36/96/68/1370369668.db2.gz PDFIRUCIRXLUTN-CEWLAPEOSA-N 2 1 336.483 3.209 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CC[C@]1(C)O ZINC001204263113 1370425072 /nfs/dbraw/zinc/42/50/72/1370425072.db2.gz GRMALGYSFQYHBO-XLIONFOSSA-N 2 1 334.504 3.000 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC(C)(C)C[C@@]2(C)CO)cc1 ZINC001204263580 1370426206 /nfs/dbraw/zinc/42/62/06/1370426206.db2.gz NKBBGSUUDOPSLV-FQEVSTJZSA-N 2 1 334.504 3.000 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)CC2CC(F)(F)C2)cc1 ZINC001204270031 1370427763 /nfs/dbraw/zinc/42/77/63/1370427763.db2.gz NTOOJTWNZLATOP-UHFFFAOYSA-N 2 1 326.431 3.494 20 0 EGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3)C[C@H]2C1 ZINC001204433764 1370476094 /nfs/dbraw/zinc/47/60/94/1370476094.db2.gz FSEGUUCEMMMVCO-HUUCEWRRSA-N 2 1 328.378 3.359 20 0 EGADMP CC(C)Oc1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1 ZINC001204455220 1370480940 /nfs/dbraw/zinc/48/09/40/1370480940.db2.gz VEDNSTIGSVIBQW-UHFFFAOYSA-N 2 1 331.460 3.104 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc5c(c4)CCO5)C[C@@H]3C2)cc1 ZINC001204489798 1370490448 /nfs/dbraw/zinc/49/04/48/1370490448.db2.gz NQOOIZGHRGNGER-SZPZYZBQSA-N 2 1 348.490 3.494 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc5c(c4)CCO5)C[C@@H]3C2)cc1 ZINC001204489798 1370490452 /nfs/dbraw/zinc/49/04/52/1370490452.db2.gz NQOOIZGHRGNGER-SZPZYZBQSA-N 2 1 348.490 3.494 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc5c(c4)CCO5)C[C@@H]3C2)cc1 ZINC001204489798 1370490457 /nfs/dbraw/zinc/49/04/57/1370490457.db2.gz NQOOIZGHRGNGER-SZPZYZBQSA-N 2 1 348.490 3.494 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc5c(c4)CCO5)C[C@@H]3C2)cc1 ZINC001204489798 1370490459 /nfs/dbraw/zinc/49/04/59/1370490459.db2.gz NQOOIZGHRGNGER-SZPZYZBQSA-N 2 1 348.490 3.494 20 0 EGADMP Cc1nn(C)cc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001204583808 1370523160 /nfs/dbraw/zinc/52/31/60/1370523160.db2.gz FJYQOULKGREIIF-UXHICEINSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1nn(C)cc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001204583808 1370523163 /nfs/dbraw/zinc/52/31/63/1370523163.db2.gz FJYQOULKGREIIF-UXHICEINSA-N 2 1 338.499 3.073 20 0 EGADMP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001115536701 1370533543 /nfs/dbraw/zinc/53/35/43/1370533543.db2.gz DLDQIJXGRBXMCG-RBUKOAKNSA-N 2 1 347.547 3.070 20 0 EGADMP Oc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(OC(F)(F)F)c1 ZINC001204742155 1370561813 /nfs/dbraw/zinc/56/18/13/1370561813.db2.gz IUWOJAHRRALZJL-UHFFFAOYSA-N 2 1 344.377 3.256 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]CCC3CC3)CCCCC2)C1 ZINC001115571721 1370573874 /nfs/dbraw/zinc/57/38/74/1370573874.db2.gz MAXJRAYSDJUMRK-IBGZPJMESA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC1([NH2+]CCCF)CCCCC1 ZINC001115571854 1370574616 /nfs/dbraw/zinc/57/46/16/1370574616.db2.gz RIORUOXXUZLQPJ-KRWDZBQOSA-N 2 1 341.515 3.018 20 0 EGADMP F[C@H]1CC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)CCC1(F)F ZINC001204848583 1370589246 /nfs/dbraw/zinc/58/92/46/1370589246.db2.gz OBGAAXHPHGFUTK-INIZCTEOSA-N 2 1 337.389 3.314 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCCC1 ZINC001115591780 1370592623 /nfs/dbraw/zinc/59/26/23/1370592623.db2.gz DMQSXNBLJWPDMI-ROUUACIJSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001115591779 1370592711 /nfs/dbraw/zinc/59/27/11/1370592711.db2.gz DMQSXNBLJWPDMI-QZTJIDSGSA-N 2 1 335.536 3.068 20 0 EGADMP Fc1ccc(N2CCC[N@H+](CCC[NH2+]C3CCCCC3)CC2)nc1 ZINC001204870087 1370593621 /nfs/dbraw/zinc/59/36/21/1370593621.db2.gz OJJMTZGXCXQEEJ-UHFFFAOYSA-N 2 1 334.483 3.045 20 0 EGADMP Fc1ccc(N2CCC[N@@H+](CCC[NH2+]C3CCCCC3)CC2)nc1 ZINC001204870087 1370593627 /nfs/dbraw/zinc/59/36/27/1370593627.db2.gz OJJMTZGXCXQEEJ-UHFFFAOYSA-N 2 1 334.483 3.045 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115596723 1370597634 /nfs/dbraw/zinc/59/76/34/1370597634.db2.gz SOPRFFVLQVEKTB-SFHVURJKSA-N 2 1 337.552 3.316 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCc2cccc(Br)c2)C1 ZINC001205002051 1370624838 /nfs/dbraw/zinc/62/48/38/1370624838.db2.gz YHIQUFYBGFRFND-HNNXBMFYSA-N 2 1 325.294 3.313 20 0 EGADMP COc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205141185 1370662064 /nfs/dbraw/zinc/66/20/64/1370662064.db2.gz YATFJSLORBLQCS-QFBILLFUSA-N 2 1 340.467 3.301 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205280545 1370704975 /nfs/dbraw/zinc/70/49/75/1370704975.db2.gz BWZHNTOEFJPUBO-HNNXBMFYSA-N 2 1 332.366 3.297 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205280545 1370704979 /nfs/dbraw/zinc/70/49/79/1370704979.db2.gz BWZHNTOEFJPUBO-HNNXBMFYSA-N 2 1 332.366 3.297 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1OC(F)(F)F ZINC001205280698 1370705000 /nfs/dbraw/zinc/70/50/00/1370705000.db2.gz GOVWXLBAWZUCKJ-OAHLLOKOSA-N 2 1 332.366 3.297 20 0 EGADMP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205285653 1370706535 /nfs/dbraw/zinc/70/65/35/1370706535.db2.gz ZXYHXRXZWUDUTA-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[N@@H+](CCCc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC001205295642 1370709769 /nfs/dbraw/zinc/70/97/69/1370709769.db2.gz AXGHOHVVFHDRFS-HIFRSBDPSA-N 2 1 325.294 3.298 20 0 EGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(OCc3ccccc3)cn2)CC1 ZINC001205296133 1370711583 /nfs/dbraw/zinc/71/15/83/1370711583.db2.gz HPSLYCWKKUHEDK-HXUWFJFHSA-N 2 1 325.456 3.364 20 0 EGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(OCc3ccccc3)cn2)CC1 ZINC001205296133 1370711585 /nfs/dbraw/zinc/71/15/85/1370711585.db2.gz HPSLYCWKKUHEDK-HXUWFJFHSA-N 2 1 325.456 3.364 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CCCC3CCC3)CCCCC2)C1 ZINC001115729954 1370712200 /nfs/dbraw/zinc/71/22/00/1370712200.db2.gz ZGBOIWCCOMJRTH-GOSISDBHSA-N 2 1 349.563 3.317 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001115730265 1370712886 /nfs/dbraw/zinc/71/28/86/1370712886.db2.gz HFTQQEYJYYPDBW-UHFFFAOYSA-N 2 1 337.552 3.339 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001115730494 1370712991 /nfs/dbraw/zinc/71/29/91/1370712991.db2.gz LFHVFMCWPLCVMH-FUHWJXTLSA-N 2 1 349.563 3.029 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCCCC1 ZINC001115730262 1370713067 /nfs/dbraw/zinc/71/30/67/1370713067.db2.gz HCRXKIAWJAPGKW-UHFFFAOYSA-N 2 1 339.568 3.419 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115730946 1370713772 /nfs/dbraw/zinc/71/37/72/1370713772.db2.gz VNLNZTZKLAIMSX-IEBWSBKVSA-N 2 1 349.563 3.173 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c2c(OC)cccc12 ZINC001205303840 1370714251 /nfs/dbraw/zinc/71/42/51/1370714251.db2.gz LLJMATNRGPCIDA-GDBMZVCRSA-N 2 1 328.456 3.274 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205304695 1370714786 /nfs/dbraw/zinc/71/47/86/1370714786.db2.gz OZKHOIFRSKSPEA-YPMHNXCESA-N 2 1 332.366 3.011 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205304695 1370714787 /nfs/dbraw/zinc/71/47/87/1370714787.db2.gz OZKHOIFRSKSPEA-YPMHNXCESA-N 2 1 332.366 3.011 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001205420227 1370749293 /nfs/dbraw/zinc/74/92/93/1370749293.db2.gz KNUMCULYSMFXCF-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205460890 1370762224 /nfs/dbraw/zinc/76/22/24/1370762224.db2.gz ADEBYAKIWLQFAO-PRPIBZDOSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001205483795 1370769327 /nfs/dbraw/zinc/76/93/27/1370769327.db2.gz SCFMKQLWLYASDH-KKHYBRAUSA-N 2 1 349.563 3.435 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001205483643 1370769582 /nfs/dbraw/zinc/76/95/82/1370769582.db2.gz LHKLIYHNEONWRN-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545194 1370786467 /nfs/dbraw/zinc/78/64/67/1370786467.db2.gz AHFDJDQIISUHBL-LJQANCHMSA-N 2 1 330.451 3.142 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115805935 1370788991 /nfs/dbraw/zinc/78/89/91/1370788991.db2.gz JIQYBQUHHAQOQI-UHFFFAOYSA-N 2 1 337.552 3.317 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)[C@@H]1SC ZINC001205554371 1370789418 /nfs/dbraw/zinc/78/94/18/1370789418.db2.gz DBKHQCBUVIBQDE-XDNAFOTISA-N 2 1 326.550 3.282 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)[C@@H]1SC ZINC001205554371 1370789419 /nfs/dbraw/zinc/78/94/19/1370789419.db2.gz DBKHQCBUVIBQDE-XDNAFOTISA-N 2 1 326.550 3.282 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(Cl)ncc2C(F)(F)F)CC1 ZINC001205570266 1370795537 /nfs/dbraw/zinc/79/55/37/1370795537.db2.gz HPKSXRGSSLFYGT-CYBMUJFWSA-N 2 1 339.764 3.407 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(Cl)ncc2C(F)(F)F)CC1 ZINC001205570266 1370795541 /nfs/dbraw/zinc/79/55/41/1370795541.db2.gz HPKSXRGSSLFYGT-CYBMUJFWSA-N 2 1 339.764 3.407 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001205570237 1370795709 /nfs/dbraw/zinc/79/57/09/1370795709.db2.gz HMIYPANBDNAZHD-CYBMUJFWSA-N 2 1 339.764 3.407 20 0 EGADMP COc1cccc(Br)c1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205579613 1370798909 /nfs/dbraw/zinc/79/89/09/1370798909.db2.gz OPAJJLIYOJBHRM-OAHLLOKOSA-N 2 1 345.256 3.111 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3F)nc2)CC[C@@H]1C[NH3+] ZINC001205625945 1370816351 /nfs/dbraw/zinc/81/63/51/1370816351.db2.gz CUEQIZJFFXWTBC-GDBMZVCRSA-N 2 1 328.435 3.090 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1OC(F)(F)F ZINC001205628329 1370817439 /nfs/dbraw/zinc/81/74/39/1370817439.db2.gz VCPXXHSRDNJXPM-GXTWGEPZSA-N 2 1 346.393 3.401 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)no2)CC[C@@H]1C[NH3+] ZINC001205635478 1370820378 /nfs/dbraw/zinc/82/03/78/1370820378.db2.gz AZAFSQYGQXEZOG-DOTOQJQBSA-N 2 1 329.444 3.060 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2c(Cl)cncc2Br)CC[C@H]1C[NH3+] ZINC001205653804 1370829836 /nfs/dbraw/zinc/82/98/36/1370829836.db2.gz VSMUQOMDVDZFNF-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c(Cl)cncc2Br)CC[C@H]1C[NH3+] ZINC001205653804 1370829839 /nfs/dbraw/zinc/82/98/39/1370829839.db2.gz VSMUQOMDVDZFNF-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001205681442 1370841867 /nfs/dbraw/zinc/84/18/67/1370841867.db2.gz JHKDTFTXLONMSL-SFHVURJKSA-N 2 1 334.847 3.276 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1c[nH]c2ccc(Br)cc12 ZINC001205902591 1370904837 /nfs/dbraw/zinc/90/48/37/1370904837.db2.gz KTUBZAJJGXFTRE-NWDGAFQWSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2ccc(Br)cc12 ZINC001205902591 1370904839 /nfs/dbraw/zinc/90/48/39/1370904839.db2.gz KTUBZAJJGXFTRE-NWDGAFQWSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(Br)ccc1N(C)C ZINC001205916076 1370909725 /nfs/dbraw/zinc/90/97/25/1370909725.db2.gz RPCWDHUQVYQUSC-STQMWFEESA-N 2 1 340.309 3.074 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(Br)ccc1N(C)C ZINC001205916076 1370909728 /nfs/dbraw/zinc/90/97/28/1370909728.db2.gz RPCWDHUQVYQUSC-STQMWFEESA-N 2 1 340.309 3.074 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCCCC2)CCC[C@]1(O)C(F)(F)F ZINC001205922940 1370912041 /nfs/dbraw/zinc/91/20/41/1370912041.db2.gz DWXRFWNHJCTHQY-GDBMZVCRSA-N 2 1 336.442 3.324 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCCCC2)CCC[C@]1(O)C(F)(F)F ZINC001205922940 1370912046 /nfs/dbraw/zinc/91/20/46/1370912046.db2.gz DWXRFWNHJCTHQY-GDBMZVCRSA-N 2 1 336.442 3.324 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1[nH]nc2cc(C(F)(F)F)ccc21 ZINC001205923290 1370912288 /nfs/dbraw/zinc/91/22/88/1370912288.db2.gz MDGIZDYAYCWMMN-QWRGUYRKSA-N 2 1 326.366 3.141 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc(Br)n2)CC1 ZINC001205969477 1370924968 /nfs/dbraw/zinc/92/49/68/1370924968.db2.gz ZMPJXUYRCFXOJD-UHFFFAOYSA-N 2 1 340.309 3.396 20 0 EGADMP C[C@@H]1C[N@@H+](CCc2ccccc2Br)CCC[C@@H]1C[NH3+] ZINC001205981902 1370928815 /nfs/dbraw/zinc/92/88/15/1370928815.db2.gz IVGQUNQKLFZKIM-UKRRQHHQSA-N 2 1 325.294 3.298 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(Oc3ncccn3)c2)CCC[C@H]1C[NH3+] ZINC001205995233 1370932985 /nfs/dbraw/zinc/93/29/85/1370932985.db2.gz NIRMDBFHPBATHH-WBVHZDCISA-N 2 1 326.444 3.076 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3F)nc2)CCC[C@@H]1C[NH3+] ZINC001206003290 1370935640 /nfs/dbraw/zinc/93/56/40/1370935640.db2.gz GJGATBOCVAHXHX-GOEBONIOSA-N 2 1 328.435 3.090 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206005911 1370936240 /nfs/dbraw/zinc/93/62/40/1370936240.db2.gz DUDFNDJDKGEIBJ-PRPIBZDOSA-N 2 1 349.563 3.293 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1OC(=O)C(C)C ZINC001206015005 1370939482 /nfs/dbraw/zinc/93/94/82/1370939482.db2.gz ZGMHUXVIERDYBM-NVXWUHKLSA-N 2 1 348.487 3.063 20 0 EGADMP Cc1nc(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)co1 ZINC001206054154 1370949163 /nfs/dbraw/zinc/94/91/63/1370949163.db2.gz DNUGSJPIFORNEI-SFHVURJKSA-N 2 1 329.444 3.453 20 0 EGADMP Cc1nc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)co1 ZINC001206054154 1370949164 /nfs/dbraw/zinc/94/91/64/1370949164.db2.gz DNUGSJPIFORNEI-SFHVURJKSA-N 2 1 329.444 3.453 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1OC1CCCC1 ZINC001206173002 1370979737 /nfs/dbraw/zinc/97/97/37/1370979737.db2.gz DTPMNQXZZUHJBB-DLBZAZTESA-N 2 1 336.451 3.278 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1OC1CCCC1 ZINC001206173002 1370979740 /nfs/dbraw/zinc/97/97/40/1370979740.db2.gz DTPMNQXZZUHJBB-DLBZAZTESA-N 2 1 336.451 3.278 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(OCc3ccccc3)no2)CC1 ZINC001206318941 1371020082 /nfs/dbraw/zinc/02/00/82/1371020082.db2.gz VLMXYCMEWCIHTJ-IBGZPJMESA-N 2 1 329.444 3.205 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(OC)cc1Cl ZINC001206317020 1371020412 /nfs/dbraw/zinc/02/04/12/1371020412.db2.gz BAIFZSHKVDKPTG-KRWDZBQOSA-N 2 1 326.868 3.308 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ncc(Cl)cc2Br)CC1 ZINC001206326301 1371024009 /nfs/dbraw/zinc/02/40/09/1371024009.db2.gz MODLMDLESZAULY-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ncc(Cl)cc2Br)CC1 ZINC001206326301 1371024013 /nfs/dbraw/zinc/02/40/13/1371024013.db2.gz MODLMDLESZAULY-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C[C@@H]1O ZINC001206520768 1371082463 /nfs/dbraw/zinc/08/24/63/1371082463.db2.gz VQXXUZOQNXPGTI-BONVTDFDSA-N 2 1 341.238 3.005 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C[C@@H]1O ZINC001206520768 1371082467 /nfs/dbraw/zinc/08/24/67/1371082467.db2.gz VQXXUZOQNXPGTI-BONVTDFDSA-N 2 1 341.238 3.005 20 0 EGADMP C[C@@]1(C[NH3+])CCCCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001206541764 1371088016 /nfs/dbraw/zinc/08/80/16/1371088016.db2.gz JRWLRFCQHVEJIX-RTWAWAEBSA-N 2 1 329.532 3.350 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206548878 1371090715 /nfs/dbraw/zinc/09/07/15/1371090715.db2.gz RUEWYRNRNDKXHU-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(OC(F)(F)F)ccc2N)C1 ZINC001206554889 1371092535 /nfs/dbraw/zinc/09/25/35/1371092535.db2.gz IAIHWYGZOOAPAJ-OAHLLOKOSA-N 2 1 331.382 3.118 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206623161 1371111736 /nfs/dbraw/zinc/11/17/36/1371111736.db2.gz JPLLABUCQVDQNP-HNNXBMFYSA-N 2 1 343.471 3.214 20 0 EGADMP CCCOc1ccc(Br)cc1C[NH2+]CC[C@H](C)[NH2+]C ZINC001117954096 1371112827 /nfs/dbraw/zinc/11/28/27/1371112827.db2.gz ZEUYUEDXXUATKF-LBPRGKRZSA-N 2 1 329.282 3.326 20 0 EGADMP F[C@@H]1C[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)CCCC1(F)F ZINC001206744109 1371152386 /nfs/dbraw/zinc/15/23/86/1371152386.db2.gz GCHHYXITGICVBK-MRXNPFEDSA-N 2 1 337.389 3.314 20 0 EGADMP F[C@@H]1C[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)CCCC1(F)F ZINC001206744109 1371152387 /nfs/dbraw/zinc/15/23/87/1371152387.db2.gz GCHHYXITGICVBK-MRXNPFEDSA-N 2 1 337.389 3.314 20 0 EGADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118263222 1371153679 /nfs/dbraw/zinc/15/36/79/1371153679.db2.gz DSPSAFNFXNICRK-OAHLLOKOSA-N 2 1 326.444 3.263 20 0 EGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1c(Br)[nH]c2ccccc21 ZINC001206767653 1371157404 /nfs/dbraw/zinc/15/74/04/1371157404.db2.gz DEYLAWIWJVCQDL-NEPJUHHUSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1c(Br)[nH]c2ccccc21 ZINC001206767653 1371157408 /nfs/dbraw/zinc/15/74/08/1371157408.db2.gz DEYLAWIWJVCQDL-NEPJUHHUSA-N 2 1 336.277 3.490 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)no1 ZINC001206823718 1371179982 /nfs/dbraw/zinc/17/99/82/1371179982.db2.gz PXBDQKDOSCOZJW-RBUKOAKNSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)no1 ZINC001206823718 1371179986 /nfs/dbraw/zinc/17/99/86/1371179986.db2.gz PXBDQKDOSCOZJW-RBUKOAKNSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)no1 ZINC001206823718 1371179988 /nfs/dbraw/zinc/17/99/88/1371179988.db2.gz PXBDQKDOSCOZJW-RBUKOAKNSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)no1 ZINC001206823718 1371179990 /nfs/dbraw/zinc/17/99/90/1371179990.db2.gz PXBDQKDOSCOZJW-RBUKOAKNSA-N 2 1 325.456 3.327 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CC=C(C)C)CC1 ZINC001206856775 1371191400 /nfs/dbraw/zinc/19/14/00/1371191400.db2.gz ANPNOKBYTSKODP-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207008278 1371265400 /nfs/dbraw/zinc/26/54/00/1371265400.db2.gz VQYCWNBEMGSYCG-IXDOHACOSA-N 2 1 334.508 3.023 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207008278 1371265401 /nfs/dbraw/zinc/26/54/01/1371265401.db2.gz VQYCWNBEMGSYCG-IXDOHACOSA-N 2 1 334.508 3.023 20 0 EGADMP O=c1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001207072539 1371285516 /nfs/dbraw/zinc/28/55/16/1371285516.db2.gz JFERWLGTHPJKOQ-MOPGFXCFSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001207072539 1371285520 /nfs/dbraw/zinc/28/55/20/1371285520.db2.gz JFERWLGTHPJKOQ-MOPGFXCFSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001207072539 1371285526 /nfs/dbraw/zinc/28/55/26/1371285526.db2.gz JFERWLGTHPJKOQ-MOPGFXCFSA-N 2 1 337.467 3.131 20 0 EGADMP CC1=CC[C@H](CCN2CC[NH+](CC3CC[NH+](C)CC3)CC2)C1(C)C ZINC001207275511 1371348018 /nfs/dbraw/zinc/34/80/18/1371348018.db2.gz KPGPELZHCFKMGF-HXUWFJFHSA-N 2 1 333.564 3.328 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001207279210 1371349075 /nfs/dbraw/zinc/34/90/75/1371349075.db2.gz ISNGLFPVLRVCRT-IBGZPJMESA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207284469 1371349829 /nfs/dbraw/zinc/34/98/29/1371349829.db2.gz NGBAQSNWJXGRKO-MRXNPFEDSA-N 2 1 339.524 3.048 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207284469 1371349834 /nfs/dbraw/zinc/34/98/34/1371349834.db2.gz NGBAQSNWJXGRKO-MRXNPFEDSA-N 2 1 339.524 3.048 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCc2ncnc(-c3ccccc3)c2CC1 ZINC001207281618 1371350322 /nfs/dbraw/zinc/35/03/22/1371350322.db2.gz GBACZHNXPNHYHQ-UHFFFAOYSA-N 2 1 338.499 3.132 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCc2ncnc(-c3ccccc3)c2CC1 ZINC001207281618 1371350326 /nfs/dbraw/zinc/35/03/26/1371350326.db2.gz GBACZHNXPNHYHQ-UHFFFAOYSA-N 2 1 338.499 3.132 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@@H](N4CCCC4)C3)CC2)cc1 ZINC001207290401 1371353045 /nfs/dbraw/zinc/35/30/45/1371353045.db2.gz BHFWREKTYVEIIL-OAQYLSRUSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CCC(CN3CC[C@@H]([NH+]4CCCC4)C3)CC2)cc1 ZINC001207290401 1371353048 /nfs/dbraw/zinc/35/30/48/1371353048.db2.gz BHFWREKTYVEIIL-OAQYLSRUSA-N 2 1 327.516 3.069 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C[C@@H]3CCOC(C)(C)C3)C2)C1 ZINC001207354323 1371371152 /nfs/dbraw/zinc/37/11/52/1371371152.db2.gz LMRJHUOXILCTCE-QUCCMNQESA-N 2 1 338.536 3.014 20 0 EGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C[C@@H]3CCOC(C)(C)C3)C2)C1 ZINC001207354323 1371371157 /nfs/dbraw/zinc/37/11/57/1371371157.db2.gz LMRJHUOXILCTCE-QUCCMNQESA-N 2 1 338.536 3.014 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C[C@@H]3CCOC(C)(C)C3)C2)C1 ZINC001207354323 1371371160 /nfs/dbraw/zinc/37/11/60/1371371160.db2.gz LMRJHUOXILCTCE-QUCCMNQESA-N 2 1 338.536 3.014 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C[C@@H]3CCOC(C)(C)C3)C2)C1 ZINC001207354323 1371371166 /nfs/dbraw/zinc/37/11/66/1371371166.db2.gz LMRJHUOXILCTCE-QUCCMNQESA-N 2 1 338.536 3.014 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001207402727 1371386062 /nfs/dbraw/zinc/38/60/62/1371386062.db2.gz MNAZSPHBWMRVFP-FGZHOGPDSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001207402727 1371386068 /nfs/dbraw/zinc/38/60/68/1371386068.db2.gz MNAZSPHBWMRVFP-FGZHOGPDSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001207402727 1371386073 /nfs/dbraw/zinc/38/60/73/1371386073.db2.gz MNAZSPHBWMRVFP-FGZHOGPDSA-N 3 1 341.543 3.172 20 0 EGADMP COc1cccc(CC[N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)c1 ZINC001207426641 1371392124 /nfs/dbraw/zinc/39/21/24/1371392124.db2.gz HXGGQZVWUMXMCW-HDICACEKSA-N 2 1 342.508 3.363 20 0 EGADMP COc1cccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001207426641 1371392131 /nfs/dbraw/zinc/39/21/31/1371392131.db2.gz HXGGQZVWUMXMCW-HDICACEKSA-N 2 1 342.508 3.363 20 0 EGADMP COc1cccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001207426641 1371392144 /nfs/dbraw/zinc/39/21/44/1371392144.db2.gz HXGGQZVWUMXMCW-HDICACEKSA-N 2 1 342.508 3.363 20 0 EGADMP COc1ccccc1CC[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001207452865 1371400008 /nfs/dbraw/zinc/40/00/08/1371400008.db2.gz SMCVRHQLKCCXLV-UHFFFAOYSA-N 2 1 325.456 3.180 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207537683 1371429513 /nfs/dbraw/zinc/42/95/13/1371429513.db2.gz GONHRTUWFGZNQM-PDTMIUJASA-N 2 1 349.563 3.147 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001207537683 1371429515 /nfs/dbraw/zinc/42/95/15/1371429515.db2.gz GONHRTUWFGZNQM-PDTMIUJASA-N 2 1 349.563 3.147 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001207537683 1371429518 /nfs/dbraw/zinc/42/95/18/1371429518.db2.gz GONHRTUWFGZNQM-PDTMIUJASA-N 2 1 349.563 3.147 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001119987984 1371442637 /nfs/dbraw/zinc/44/26/37/1371442637.db2.gz DAQOXZIQMITBGT-YQVWRLOYSA-N 2 1 339.483 3.406 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1([NH2+]CCC(C)C)CCCCC1 ZINC001120041204 1371466614 /nfs/dbraw/zinc/46/66/14/1371466614.db2.gz GTHBBPIYQXXKSW-UHFFFAOYSA-N 2 1 325.541 3.173 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(C)C)cc2)C[C@H]1C)[NH+](C)C ZINC001207703286 1371479381 /nfs/dbraw/zinc/47/93/81/1371479381.db2.gz VWICKYUATUTQTE-NSISKUIASA-N 2 1 345.531 3.087 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]CCC3=CCCCC3)CCCCC2)C1 ZINC001120129453 1371491881 /nfs/dbraw/zinc/49/18/81/1371491881.db2.gz ICMIWZAPPKDWBC-IBGZPJMESA-N 2 1 347.547 3.237 20 0 EGADMP CCCCC[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001120190076 1371503195 /nfs/dbraw/zinc/50/31/95/1371503195.db2.gz RCCPHBDDYCZBAD-HDICACEKSA-N 2 1 337.552 3.458 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 ZINC001120365613 1371550054 /nfs/dbraw/zinc/55/00/54/1371550054.db2.gz UKWLQRUBVHQPHK-MSOLQXFVSA-N 2 1 346.519 3.236 20 0 EGADMP C1=C2CCC[N@H+](C[C@H]3CCCCO3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001207959513 1371551173 /nfs/dbraw/zinc/55/11/73/1371551173.db2.gz MUDRVCWDNGDSBU-SRHPJPHMSA-N 2 1 330.516 3.451 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CCCC2CCC2)C1 ZINC001120432225 1371575078 /nfs/dbraw/zinc/57/50/78/1371575078.db2.gz ZATVEEKRJCOZIE-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CC2CC2)C1)CC(C)(C)C ZINC001120431609 1371575323 /nfs/dbraw/zinc/57/53/23/1371575323.db2.gz UYMOXEQAOYSXDL-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC2CC2)C1)CC(C)(C)C ZINC001120431609 1371575326 /nfs/dbraw/zinc/57/53/26/1371575326.db2.gz UYMOXEQAOYSXDL-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC2CC2)C1)CC(C)(C)C ZINC001120431609 1371575331 /nfs/dbraw/zinc/57/53/31/1371575331.db2.gz UYMOXEQAOYSXDL-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001120432293 1371575644 /nfs/dbraw/zinc/57/56/44/1371575644.db2.gz ZPQUYPSEKNJZBV-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208048164 1371579811 /nfs/dbraw/zinc/57/98/11/1371579811.db2.gz BYBVMQFTMMQLTN-RTBURBONSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001120462277 1371585118 /nfs/dbraw/zinc/58/51/18/1371585118.db2.gz WAVCXDNEWRNIMO-PMACEKPBSA-N 2 1 349.563 3.366 20 0 EGADMP c1cnn(CCC[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)c1 ZINC001208078741 1371589159 /nfs/dbraw/zinc/58/91/59/1371589159.db2.gz KSMJAINPZSAHJI-UHFFFAOYSA-N 2 1 344.528 3.323 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001208105625 1371596566 /nfs/dbraw/zinc/59/65/66/1371596566.db2.gz AKIIPBYYFCEBMH-IBGZPJMESA-N 2 1 344.499 3.316 20 0 EGADMP COc1ccccc1O[C@H]1CCC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208107576 1371597144 /nfs/dbraw/zinc/59/71/44/1371597144.db2.gz WICCVCOOMUOYFU-KRWDZBQOSA-N 2 1 332.488 3.270 20 0 EGADMP CC[N@@H+](CC1(C)CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001208109563 1371597785 /nfs/dbraw/zinc/59/77/85/1371597785.db2.gz PAXKBOIGOSHBSX-FQEVSTJZSA-N 2 1 329.532 3.315 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC001120582341 1371622270 /nfs/dbraw/zinc/62/22/70/1371622270.db2.gz IASMCYXOAPCOEK-CQSZACIVSA-N 2 1 337.895 3.379 20 0 EGADMP C[NH+](C)CC1(C[N@H+]2CCCN(c3ccc(F)cc3)CC2)CCCC1 ZINC001208189041 1371630208 /nfs/dbraw/zinc/63/02/08/1371630208.db2.gz PQZLGVYEUMWVNI-UHFFFAOYSA-N 2 1 333.495 3.460 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208279358 1371696715 /nfs/dbraw/zinc/69/67/15/1371696715.db2.gz ODXPHYGHKQMDAS-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208331404 1371720221 /nfs/dbraw/zinc/72/02/21/1371720221.db2.gz RPRJCDVSVDFGMW-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208334562 1371722267 /nfs/dbraw/zinc/72/22/67/1371722267.db2.gz JXIFYWSHLRKJMR-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1)C1CCC1 ZINC001208341344 1371725265 /nfs/dbraw/zinc/72/52/65/1371725265.db2.gz ZHNORRUIPHERHE-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001208422029 1371761726 /nfs/dbraw/zinc/76/17/26/1371761726.db2.gz CBGLAQYIICNLFW-NVXWUHKLSA-N 2 1 349.519 3.218 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001208422029 1371761727 /nfs/dbraw/zinc/76/17/27/1371761727.db2.gz CBGLAQYIICNLFW-NVXWUHKLSA-N 2 1 349.519 3.218 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001208453715 1371772267 /nfs/dbraw/zinc/77/22/67/1371772267.db2.gz NOGRKDKOETVLBO-GOSISDBHSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC001208593163 1371832869 /nfs/dbraw/zinc/83/28/69/1371832869.db2.gz OWGIWKWSESCQLL-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001208603595 1371837250 /nfs/dbraw/zinc/83/72/50/1371837250.db2.gz FHKICXQEGHHDEB-OAHLLOKOSA-N 2 1 341.421 3.169 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001208603595 1371837252 /nfs/dbraw/zinc/83/72/52/1371837252.db2.gz FHKICXQEGHHDEB-OAHLLOKOSA-N 2 1 341.421 3.169 20 0 EGADMP Cc1nc([C@H]2C[C@@H]3CC[NH+](C[C@@H]4CCC[N@@H+](C)C4)C[C@H]3O2)sc1C ZINC001208611029 1371840608 /nfs/dbraw/zinc/84/06/08/1371840608.db2.gz TYLXHJZXCCIMJW-XMTFNYHQSA-N 2 1 349.544 3.254 20 0 EGADMP Cc1nc([C@H]2C[C@@H]3CC[NH+](C[C@@H]4CCC[N@H+](C)C4)C[C@H]3O2)sc1C ZINC001208611029 1371840610 /nfs/dbraw/zinc/84/06/10/1371840610.db2.gz TYLXHJZXCCIMJW-XMTFNYHQSA-N 2 1 349.544 3.254 20 0 EGADMP Cc1nc([C@H]2C[C@@H]3CC[N@@H+](C[C@@H]4CCC[NH+](C)C4)C[C@H]3O2)sc1C ZINC001208611029 1371840612 /nfs/dbraw/zinc/84/06/12/1371840612.db2.gz TYLXHJZXCCIMJW-XMTFNYHQSA-N 2 1 349.544 3.254 20 0 EGADMP Cc1nc([C@H]2C[C@@H]3CC[N@H+](C[C@@H]4CCC[NH+](C)C4)C[C@H]3O2)sc1C ZINC001208611029 1371840614 /nfs/dbraw/zinc/84/06/14/1371840614.db2.gz TYLXHJZXCCIMJW-XMTFNYHQSA-N 2 1 349.544 3.254 20 0 EGADMP C[NH+]1CCC(N(Cc2ccc(F)cc2)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208615665 1371840854 /nfs/dbraw/zinc/84/08/54/1371840854.db2.gz WOKURDWMNQSCMZ-SFHVURJKSA-N 2 1 333.495 3.064 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH+](CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC001208618541 1371843691 /nfs/dbraw/zinc/84/36/91/1371843691.db2.gz YHCCAQMCJOQHJW-CQSZACIVSA-N 2 1 331.287 3.130 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH+](CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC001208618541 1371843695 /nfs/dbraw/zinc/84/36/95/1371843695.db2.gz YHCCAQMCJOQHJW-CQSZACIVSA-N 2 1 331.287 3.130 20 0 EGADMP C[NH+]1CCC[C@@H](C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC001208618541 1371843697 /nfs/dbraw/zinc/84/36/97/1371843697.db2.gz YHCCAQMCJOQHJW-CQSZACIVSA-N 2 1 331.287 3.130 20 0 EGADMP C[NH+]1CCC[C@@H](C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC001208618541 1371843705 /nfs/dbraw/zinc/84/37/05/1371843705.db2.gz YHCCAQMCJOQHJW-CQSZACIVSA-N 2 1 331.287 3.130 20 0 EGADMP C[C@H](CC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1)CC(C)(C)C ZINC001208660350 1371854617 /nfs/dbraw/zinc/85/46/17/1371854617.db2.gz OUXMQSCSSVDSPP-YRXWBPOGSA-N 2 1 347.551 3.135 20 0 EGADMP C[C@H](CC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1)CC(C)(C)C ZINC001208660350 1371854620 /nfs/dbraw/zinc/85/46/20/1371854620.db2.gz OUXMQSCSSVDSPP-YRXWBPOGSA-N 2 1 347.551 3.135 20 0 EGADMP C[C@H](CC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1)CC(C)(C)C ZINC001208660350 1371854624 /nfs/dbraw/zinc/85/46/24/1371854624.db2.gz OUXMQSCSSVDSPP-YRXWBPOGSA-N 2 1 347.551 3.135 20 0 EGADMP CCCCC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208758400 1371885374 /nfs/dbraw/zinc/88/53/74/1371885374.db2.gz JHXYUXOPHJLRNI-SFHVURJKSA-N 2 1 337.552 3.412 20 0 EGADMP CC[C@H](CCC(=O)OC)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001208793663 1371898071 /nfs/dbraw/zinc/89/80/71/1371898071.db2.gz WSDRWFRTPTWXMR-RLLQIKCJSA-N 2 1 344.499 3.030 20 0 EGADMP CC[C@H](CCC(=O)OC)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208793663 1371898073 /nfs/dbraw/zinc/89/80/73/1371898073.db2.gz WSDRWFRTPTWXMR-RLLQIKCJSA-N 2 1 344.499 3.030 20 0 EGADMP CC[C@H](CCC(=O)OC)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208793663 1371898074 /nfs/dbraw/zinc/89/80/74/1371898074.db2.gz WSDRWFRTPTWXMR-RLLQIKCJSA-N 2 1 344.499 3.030 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001121244978 1371906424 /nfs/dbraw/zinc/90/64/24/1371906424.db2.gz AAFYPJKZQLKBIA-WAYWQWQTSA-N 2 1 347.547 3.234 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001121261478 1371912369 /nfs/dbraw/zinc/91/23/69/1371912369.db2.gz WPVUOIAPXCQDAY-QAELIBMJSA-N 2 1 335.536 3.068 20 0 EGADMP COc1ccccc1CCC[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001208841495 1371913594 /nfs/dbraw/zinc/91/35/94/1371913594.db2.gz FWGVIZQBHDFBNC-UHFFFAOYSA-N 2 1 346.515 3.203 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](CC3CCN(c4ccccc4)CC3)C2)CC1 ZINC001208912185 1371941402 /nfs/dbraw/zinc/94/14/02/1371941402.db2.gz OVKDFWZEWUWYCT-UHFFFAOYSA-N 2 1 327.516 3.321 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CCC[C@]1(C)O ZINC001208931284 1371950124 /nfs/dbraw/zinc/95/01/24/1371950124.db2.gz IUXJIMBDMIUKON-NRSPTQNISA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[C@]1(C)O ZINC001208931284 1371950130 /nfs/dbraw/zinc/95/01/30/1371950130.db2.gz IUXJIMBDMIUKON-NRSPTQNISA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[C@]1(C)O ZINC001208931284 1371950134 /nfs/dbraw/zinc/95/01/34/1371950134.db2.gz IUXJIMBDMIUKON-NRSPTQNISA-N 2 1 330.516 3.382 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC001208934356 1371951951 /nfs/dbraw/zinc/95/19/51/1371951951.db2.gz FMUURYLZOMONMC-YADHBBJMSA-N 2 1 341.543 3.459 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CC[C@@H]([NH+]4CCCC4)C3)C2)cc1 ZINC001208934693 1371952456 /nfs/dbraw/zinc/95/24/56/1371952456.db2.gz FXKPVAJBAKKVKU-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP CCN(CC[NH+]1CCCC1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208937238 1371953433 /nfs/dbraw/zinc/95/34/33/1371953433.db2.gz RZMHNQMWPLFOIF-OAQYLSRUSA-N 2 1 329.532 3.316 20 0 EGADMP CC[NH+](CC)[C@@H]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940490 1371954117 /nfs/dbraw/zinc/95/41/17/1371954117.db2.gz SIGITJFUWSRHDY-NHCUHLMSSA-N 2 1 329.532 3.315 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CC([NH+]4CCCCC4)C3)C2)cc1 ZINC001208940319 1371954454 /nfs/dbraw/zinc/95/44/54/1371954454.db2.gz RJKRZJXGRPPTIL-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CCC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC001208938088 1371954661 /nfs/dbraw/zinc/95/46/61/1371954661.db2.gz WUNNNDNWHHAMTN-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](CN3CCC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC001208938088 1371954675 /nfs/dbraw/zinc/95/46/75/1371954675.db2.gz WUNNNDNWHHAMTN-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](CN3CCC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC001208938088 1371954684 /nfs/dbraw/zinc/95/46/84/1371954684.db2.gz WUNNNDNWHHAMTN-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CC[C@H](Oc4cccnc4)C3)C2)cc1 ZINC001208948170 1371958556 /nfs/dbraw/zinc/95/85/56/1371958556.db2.gz FLNGYEKXPCIKAE-CTNGQTDRSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CC[C@H](Oc4cccnc4)C3)C2)cc1 ZINC001208948170 1371958559 /nfs/dbraw/zinc/95/85/59/1371958559.db2.gz FLNGYEKXPCIKAE-CTNGQTDRSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CC[C@H](Oc4cccnc4)C3)C2)cc1 ZINC001208948170 1371958561 /nfs/dbraw/zinc/95/85/61/1371958561.db2.gz FLNGYEKXPCIKAE-CTNGQTDRSA-N 2 1 337.467 3.057 20 0 EGADMP CC(C)[N@@H+](C)[C@@H]1CCN(C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208946331 1371959555 /nfs/dbraw/zinc/95/95/55/1371959555.db2.gz UVTPMKFGXHIVPV-LEWJYISDSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[NH+](C)[C@@H]1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208946331 1371959560 /nfs/dbraw/zinc/95/95/60/1371959560.db2.gz UVTPMKFGXHIVPV-LEWJYISDSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[NH+](C)[C@@H]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208946331 1371959566 /nfs/dbraw/zinc/95/95/66/1371959566.db2.gz UVTPMKFGXHIVPV-LEWJYISDSA-N 2 1 329.532 3.313 20 0 EGADMP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001121628262 1372030163 /nfs/dbraw/zinc/03/01/63/1372030163.db2.gz ILIVLVPCRMHGRR-DROCGIDASA-N 2 1 347.547 3.090 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001209205057 1372037875 /nfs/dbraw/zinc/03/78/75/1372037875.db2.gz MLWMUDSLAPCGHN-SLVIYJBESA-N 2 1 349.563 3.435 20 0 EGADMP COCCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209218711 1372041511 /nfs/dbraw/zinc/04/15/11/1372041511.db2.gz XHGXRJSCEJKIMV-SXLOBPIMSA-N 2 1 331.504 3.041 20 0 EGADMP COCCCC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209218711 1372041514 /nfs/dbraw/zinc/04/15/14/1372041514.db2.gz XHGXRJSCEJKIMV-SXLOBPIMSA-N 2 1 331.504 3.041 20 0 EGADMP COCCCC[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209218711 1372041516 /nfs/dbraw/zinc/04/15/16/1372041516.db2.gz XHGXRJSCEJKIMV-SXLOBPIMSA-N 2 1 331.504 3.041 20 0 EGADMP COCCCC[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209218711 1372041519 /nfs/dbraw/zinc/04/15/19/1372041519.db2.gz XHGXRJSCEJKIMV-SXLOBPIMSA-N 2 1 331.504 3.041 20 0 EGADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+](CCc2cccs2)CC3)cn1 ZINC001209222074 1372041574 /nfs/dbraw/zinc/04/15/74/1372041574.db2.gz HKGMHEMYUNHBMX-UHFFFAOYSA-N 2 1 344.528 3.155 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](CC3Cc4ccccc4C3)C2)C1 ZINC001209320447 1372067932 /nfs/dbraw/zinc/06/79/32/1372067932.db2.gz VRAQPWXIJHSRBT-QFIPXVFZSA-N 2 1 342.527 3.224 20 0 EGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](CC3Cc4ccccc4C3)C2)C1 ZINC001209320447 1372067936 /nfs/dbraw/zinc/06/79/36/1372067936.db2.gz VRAQPWXIJHSRBT-QFIPXVFZSA-N 2 1 342.527 3.224 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](CC3Cc4ccccc4C3)C2)C1 ZINC001209320447 1372067940 /nfs/dbraw/zinc/06/79/40/1372067940.db2.gz VRAQPWXIJHSRBT-QFIPXVFZSA-N 2 1 342.527 3.224 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](CC3Cc4ccccc4C3)C2)C1 ZINC001209320447 1372067945 /nfs/dbraw/zinc/06/79/45/1372067945.db2.gz VRAQPWXIJHSRBT-QFIPXVFZSA-N 2 1 342.527 3.224 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001121767761 1372074999 /nfs/dbraw/zinc/07/49/99/1372074999.db2.gz KAKFCHMFNKQODM-IPHBXJNRSA-N 2 1 349.563 3.170 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)CCCCNC(=O)OC(C)(C)C)CC1 ZINC001209368991 1372080138 /nfs/dbraw/zinc/08/01/38/1372080138.db2.gz ZIMDAZACJJRMHP-UHFFFAOYSA-N 2 1 341.540 3.488 20 0 EGADMP CCOC(=O)[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@H]2CCCC[C@@H]12 ZINC001209450953 1372108832 /nfs/dbraw/zinc/10/88/32/1372108832.db2.gz WERXREAEAOKSSJ-QRVBRYPASA-N 2 1 336.520 3.164 20 0 EGADMP O=C(OCc1ccccc1)[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209453008 1372110193 /nfs/dbraw/zinc/11/01/93/1372110193.db2.gz CBTHNQHUIADPOP-FQEVSTJZSA-N 2 1 344.499 3.318 20 0 EGADMP O=C(OCc1ccccc1)[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209453008 1372110196 /nfs/dbraw/zinc/11/01/96/1372110196.db2.gz CBTHNQHUIADPOP-FQEVSTJZSA-N 2 1 344.499 3.318 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC001122004806 1372151060 /nfs/dbraw/zinc/15/10/60/1372151060.db2.gz BEYPVSFEGPKUBL-XUVXKRRUSA-N 2 1 343.515 3.065 20 0 EGADMP COc1cc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)ccn1 ZINC001209637766 1372158501 /nfs/dbraw/zinc/15/85/01/1372158501.db2.gz OJOUCIYGKDYSMF-UHFFFAOYSA-N 2 1 348.450 3.269 20 0 EGADMP Cc1ccccc1C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001209691063 1372171812 /nfs/dbraw/zinc/17/18/12/1372171812.db2.gz VAXTVLUQUKSVEQ-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP COc1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc2c1OCO2 ZINC001209716972 1372176920 /nfs/dbraw/zinc/17/69/20/1372176920.db2.gz SIAMYRPRNCIRPX-DLBZAZTESA-N 2 1 346.471 3.263 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc2c1OCO2 ZINC001209716972 1372176923 /nfs/dbraw/zinc/17/69/23/1372176923.db2.gz SIAMYRPRNCIRPX-DLBZAZTESA-N 2 1 346.471 3.263 20 0 EGADMP COc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cc2c1OCO2 ZINC001209716972 1372176926 /nfs/dbraw/zinc/17/69/26/1372176926.db2.gz SIAMYRPRNCIRPX-DLBZAZTESA-N 2 1 346.471 3.263 20 0 EGADMP COc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cc2c1OCO2 ZINC001209716972 1372176930 /nfs/dbraw/zinc/17/69/30/1372176930.db2.gz SIAMYRPRNCIRPX-DLBZAZTESA-N 2 1 346.471 3.263 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cn3cccc(C)c3n2)CC1 ZINC001209735565 1372179040 /nfs/dbraw/zinc/17/90/40/1372179040.db2.gz LWHYDPDGUGQHCS-UHFFFAOYSA-N 2 1 335.455 3.085 20 0 EGADMP Nc1cc[nH+]cc1CN1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001209732587 1372179118 /nfs/dbraw/zinc/17/91/18/1372179118.db2.gz JEHUIDIPUYIOMN-FQEVSTJZSA-N 2 1 336.483 3.123 20 0 EGADMP [NH3+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c2ccccc21 ZINC001122194142 1372198840 /nfs/dbraw/zinc/19/88/40/1372198840.db2.gz NWLVMAHRHIUFJN-NQIIRXRSSA-N 2 1 349.478 3.130 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001122248935 1372211586 /nfs/dbraw/zinc/21/15/86/1372211586.db2.gz OGNHKRAZSCSILW-UHFFFAOYSA-N 2 1 337.552 3.170 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209892485 1372225268 /nfs/dbraw/zinc/22/52/68/1372225268.db2.gz UGTBFVQTPNLLLB-KRWDZBQOSA-N 2 1 334.508 3.023 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccccc2C(C)C)C[C@H]1C ZINC001210041156 1372261433 /nfs/dbraw/zinc/26/14/33/1372261433.db2.gz QHLLMFYJUIYMMG-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(C)C)C[C@H]1C ZINC001210041156 1372261436 /nfs/dbraw/zinc/26/14/36/1372261436.db2.gz QHLLMFYJUIYMMG-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(C)C)C[C@H]1C ZINC001210041156 1372261439 /nfs/dbraw/zinc/26/14/39/1372261439.db2.gz QHLLMFYJUIYMMG-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](CN3CC[NH2+]C[C@H]3c3ccccc3)C2)cc1 ZINC001210196971 1372291704 /nfs/dbraw/zinc/29/17/04/1372291704.db2.gz TULHRMYLZREUNM-IRLDBZIGSA-N 2 1 335.495 3.155 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN3CC[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001210196972 1372292235 /nfs/dbraw/zinc/29/22/35/1372292235.db2.gz TULHRMYLZREUNM-RBBKRZOGSA-N 2 1 335.495 3.155 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001210236053 1372301438 /nfs/dbraw/zinc/30/14/38/1372301438.db2.gz IKQWDMBQJRCFDU-QZTJIDSGSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1C ZINC001210485391 1372364648 /nfs/dbraw/zinc/36/46/48/1372364648.db2.gz JCTFPJPLZZRWRQ-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1C ZINC001210485391 1372364653 /nfs/dbraw/zinc/36/46/53/1372364653.db2.gz JCTFPJPLZZRWRQ-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1C ZINC001210485391 1372364656 /nfs/dbraw/zinc/36/46/56/1372364656.db2.gz JCTFPJPLZZRWRQ-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH2+]Cc1cccc(Nc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001211137030 1372489519 /nfs/dbraw/zinc/48/95/19/1372489519.db2.gz AFCOZJHUJXUAJZ-UHFFFAOYSA-N 2 1 328.435 3.041 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001211256572 1372513550 /nfs/dbraw/zinc/51/35/50/1372513550.db2.gz JFFSVPSIZSFZFQ-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211268342 1372516626 /nfs/dbraw/zinc/51/66/26/1372516626.db2.gz IQYPNPOUGVNOLD-VQTJNVASSA-N 2 1 345.531 3.306 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374224 1372542944 /nfs/dbraw/zinc/54/29/44/1372542944.db2.gz DIDTYCUMWHURQZ-MISYRCLQSA-N 2 1 345.531 3.306 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374224 1372542946 /nfs/dbraw/zinc/54/29/46/1372542946.db2.gz DIDTYCUMWHURQZ-MISYRCLQSA-N 2 1 345.531 3.306 20 0 EGADMP COc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)cc1F ZINC001212142535 1372664139 /nfs/dbraw/zinc/66/41/39/1372664139.db2.gz MYUYRVFIABZBDN-AWEZNQCLSA-N 2 1 336.411 3.052 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001127680713 1373158870 /nfs/dbraw/zinc/15/88/70/1373158870.db2.gz ZJDMBCDFUZCJRS-HUUCEWRRSA-N 2 1 346.450 3.003 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001215774365 1373236217 /nfs/dbraw/zinc/23/62/17/1373236217.db2.gz NETJNQJBYMDPFV-IOIJZZRGSA-N 2 1 335.536 3.042 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1[NH2+]CCC(C)(C)C ZINC001216850258 1373350619 /nfs/dbraw/zinc/35/06/19/1373350619.db2.gz HDAWDEBWRSHELI-BHIYHBOVSA-N 2 1 345.531 3.162 20 0 EGADMP [NH3+][C@H](CC1CC[NH2+]CC1)c1nnc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001217726202 1373495491 /nfs/dbraw/zinc/49/54/91/1373495491.db2.gz XTSBZLAEPYSOIP-CYBMUJFWSA-N 2 1 340.349 3.145 20 0 EGADMP C[C@@H]1C[C@@H](OC[C@@]2(C)C[N@@H+](Cc3ccccc3)CC(C)(C)O2)CC[NH2+]1 ZINC001217791733 1373500197 /nfs/dbraw/zinc/50/01/97/1373500197.db2.gz PEWHSWYSEMYKAW-SLYNCCJLSA-N 2 1 346.515 3.213 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](OCCC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC001217928844 1373512690 /nfs/dbraw/zinc/51/26/90/1373512690.db2.gz HTTPGFMMHBOTRC-PWRODBHTSA-N 2 1 328.500 3.303 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001130422112 1373531347 /nfs/dbraw/zinc/53/13/47/1373531347.db2.gz XHKGVFTURZRKNS-UHFFFAOYSA-N 2 1 347.547 3.165 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)c1cccc(F)c1 ZINC001130622281 1373570897 /nfs/dbraw/zinc/57/08/97/1373570897.db2.gz AUJFRPYQQWSUBV-OAHLLOKOSA-N 2 1 349.494 3.246 20 0 EGADMP CCc1cccc(C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)c1 ZINC001130615378 1373571214 /nfs/dbraw/zinc/57/12/14/1373571214.db2.gz KXMJXDRQJLCLCC-UHFFFAOYSA-N 2 1 345.531 3.108 20 0 EGADMP C[C@H](Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@H+](C)CC3)C1C[NH2+]C1 ZINC001218198601 1373577570 /nfs/dbraw/zinc/57/75/70/1373577570.db2.gz NTKWMZRGLGGYRR-SFPRVHAESA-N 2 1 340.511 3.362 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Oc2ccc4c(n2)CC[NH2+]C4)C3)cc1 ZINC001218342937 1373600269 /nfs/dbraw/zinc/60/02/69/1373600269.db2.gz AXDHADULOFBNAC-ACDBMABISA-N 2 1 349.478 3.302 20 0 EGADMP c1ccc(C[N@@H+]2CCc3ccc(O[C@@H]4CC[C@@H]5C[NH2+]C[C@@H]45)nc3C2)cc1 ZINC001218462453 1373618962 /nfs/dbraw/zinc/61/89/62/1373618962.db2.gz XJFWMWGXLCHMKF-SFHLNBCPSA-N 2 1 349.478 3.017 20 0 EGADMP c1ccc(C[N@H+]2CCc3ccc(O[C@@H]4CC[C@@H]5C[NH2+]C[C@@H]45)nc3C2)cc1 ZINC001218462453 1373618965 /nfs/dbraw/zinc/61/89/65/1373618965.db2.gz XJFWMWGXLCHMKF-SFHLNBCPSA-N 2 1 349.478 3.017 20 0 EGADMP [NH3+][C@@H](CC(F)F)C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001218846660 1373660521 /nfs/dbraw/zinc/66/05/21/1373660521.db2.gz ALINZEZHDOMBKR-KRWDZBQOSA-N 2 1 345.393 3.123 20 0 EGADMP [NH3+][C@@H](CC(F)F)C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001218846660 1373660522 /nfs/dbraw/zinc/66/05/22/1373660522.db2.gz ALINZEZHDOMBKR-KRWDZBQOSA-N 2 1 345.393 3.123 20 0 EGADMP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)Nc2cccc3c2C[NH2+]C3)C1 ZINC001218994018 1373675965 /nfs/dbraw/zinc/67/59/65/1373675965.db2.gz ZRWAZBGPSSFKGO-IBGZPJMESA-N 2 1 349.478 3.449 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)NC[C@]1(F)CCC[NH2+]C1)c1ccccc1 ZINC001219768171 1373731892 /nfs/dbraw/zinc/73/18/92/1373731892.db2.gz KPORCCDDLMPVPJ-ICSRJNTNSA-N 2 1 349.494 3.058 20 0 EGADMP CCc1ccccc1C[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815491 1373819457 /nfs/dbraw/zinc/81/94/57/1373819457.db2.gz FVCADTRKCVYKHV-UHFFFAOYSA-N 2 1 345.531 3.109 20 0 EGADMP Cc1ccc(C[NH+]2CCC3(C[NH2+]C3)CC2)c(F)c1Br ZINC001222208472 1373820656 /nfs/dbraw/zinc/82/06/56/1373820656.db2.gz MLURTYFFMAECKH-UHFFFAOYSA-N 2 1 327.241 3.082 20 0 EGADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385076 1373832025 /nfs/dbraw/zinc/83/20/25/1373832025.db2.gz FFZWKRLANCCPOF-UZLBHIALSA-N 2 1 330.472 3.202 20 0 EGADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385076 1373832029 /nfs/dbraw/zinc/83/20/29/1373832029.db2.gz FFZWKRLANCCPOF-UZLBHIALSA-N 2 1 330.472 3.202 20 0 EGADMP Clc1ccc(C[N@@H+]2CCOCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001222401555 1373839090 /nfs/dbraw/zinc/83/90/90/1373839090.db2.gz WAFMHGWKGHDOHJ-UHFFFAOYSA-N 2 1 329.271 3.195 20 0 EGADMP Clc1ccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001222401555 1373839095 /nfs/dbraw/zinc/83/90/95/1373839095.db2.gz WAFMHGWKGHDOHJ-UHFFFAOYSA-N 2 1 329.271 3.195 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001223962506 1375049808 /nfs/dbraw/zinc/04/98/08/1375049808.db2.gz RIVNZHLISWRLRC-CLJKYYQGSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]21 ZINC001223962506 1375049810 /nfs/dbraw/zinc/04/98/10/1375049810.db2.gz RIVNZHLISWRLRC-CLJKYYQGSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]21 ZINC001223962506 1375049812 /nfs/dbraw/zinc/04/98/12/1375049812.db2.gz RIVNZHLISWRLRC-CLJKYYQGSA-N 2 1 349.563 3.388 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1CC[NH+](CCC(C)(C)C)CC1 ZINC001225542742 1375122189 /nfs/dbraw/zinc/12/21/89/1375122189.db2.gz ODXMENSTCKVWLZ-CALCHBBNSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CCc2c[nH]cn2)CC[C@H]1C ZINC001132089956 1375140011 /nfs/dbraw/zinc/14/00/11/1375140011.db2.gz BDRLUZRBHIPWKS-WXFDERKXSA-N 2 1 332.492 3.058 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCc2cnc[nH]2)CC[C@H]1C ZINC001132089956 1375140012 /nfs/dbraw/zinc/14/00/12/1375140012.db2.gz BDRLUZRBHIPWKS-WXFDERKXSA-N 2 1 332.492 3.058 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CCc2cnc[nH]2)CC[C@H]1C ZINC001132089956 1375140016 /nfs/dbraw/zinc/14/00/16/1375140016.db2.gz BDRLUZRBHIPWKS-WXFDERKXSA-N 2 1 332.492 3.058 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CCCC(C)(C)C ZINC001132149097 1375170890 /nfs/dbraw/zinc/17/08/90/1375170890.db2.gz FWDHDMDOXCRPPM-QZTJIDSGSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@H+]1CCCCCF ZINC001132153916 1375174043 /nfs/dbraw/zinc/17/40/43/1375174043.db2.gz VBBGHBVQMWLPLL-NVXWUHKLSA-N 2 1 346.450 3.057 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cccc(C)c2)C1 ZINC001132154356 1375174114 /nfs/dbraw/zinc/17/41/14/1375174114.db2.gz ZCOGIBSVBNYOMA-HKUYNNGSSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cccc(C)c2)C1 ZINC001132154356 1375174115 /nfs/dbraw/zinc/17/41/15/1375174115.db2.gz ZCOGIBSVBNYOMA-HKUYNNGSSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(C)c2)C1 ZINC001132154356 1375174117 /nfs/dbraw/zinc/17/41/17/1375174117.db2.gz ZCOGIBSVBNYOMA-HKUYNNGSSA-N 2 1 345.531 3.194 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CCCC(C)(C)C ZINC001132266029 1375255294 /nfs/dbraw/zinc/25/52/94/1375255294.db2.gz VCMBYPKWDBRYAV-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CCCC1CCCC1 ZINC001132269066 1375256968 /nfs/dbraw/zinc/25/69/68/1375256968.db2.gz DVDJFPOPPAKRRK-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC001132310264 1375288182 /nfs/dbraw/zinc/28/81/82/1375288182.db2.gz JYRQRKPEKPFVCD-HKUYNNGSSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[NH+]1Cc1ccccc1 ZINC001132310264 1375288190 /nfs/dbraw/zinc/28/81/90/1375288190.db2.gz JYRQRKPEKPFVCD-HKUYNNGSSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[NH+]1Cc1ccccc1 ZINC001132310264 1375288198 /nfs/dbraw/zinc/28/81/98/1375288198.db2.gz JYRQRKPEKPFVCD-HKUYNNGSSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132339891 1375318457 /nfs/dbraw/zinc/31/84/57/1375318457.db2.gz KZPNEVLAILHFDR-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001226773575 1375330381 /nfs/dbraw/zinc/33/03/81/1375330381.db2.gz GGGXACOUCBHTLC-ZACQAIPSSA-N 2 1 346.519 3.214 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001226775018 1375331488 /nfs/dbraw/zinc/33/14/88/1375331488.db2.gz PKIJKYHRSVGMSB-GOEGGOLHSA-N 2 1 344.503 3.134 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132411068 1375359812 /nfs/dbraw/zinc/35/98/12/1375359812.db2.gz SJZCXBYSWRLJTH-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001132411068 1375359816 /nfs/dbraw/zinc/35/98/16/1375359816.db2.gz SJZCXBYSWRLJTH-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001132411068 1375359819 /nfs/dbraw/zinc/35/98/19/1375359819.db2.gz SJZCXBYSWRLJTH-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132411031 1375360341 /nfs/dbraw/zinc/36/03/41/1375360341.db2.gz RYBPQUUUVPOCMN-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001132411031 1375360345 /nfs/dbraw/zinc/36/03/45/1375360345.db2.gz RYBPQUUUVPOCMN-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001132411031 1375360353 /nfs/dbraw/zinc/36/03/53/1375360353.db2.gz RYBPQUUUVPOCMN-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001132426240 1375373122 /nfs/dbraw/zinc/37/31/22/1375373122.db2.gz UNIAMAYAMWKJIT-KGVXHEBISA-N 2 1 344.503 3.087 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001132426240 1375373131 /nfs/dbraw/zinc/37/31/31/1375373131.db2.gz UNIAMAYAMWKJIT-KGVXHEBISA-N 2 1 344.503 3.087 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cccc(F)c2)C1 ZINC001132435742 1375379617 /nfs/dbraw/zinc/37/96/17/1375379617.db2.gz FUSBUBHDAWZXND-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(F)c2)C1 ZINC001132435742 1375379621 /nfs/dbraw/zinc/37/96/21/1375379621.db2.gz FUSBUBHDAWZXND-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(F)c2)C1 ZINC001132435742 1375379627 /nfs/dbraw/zinc/37/96/27/1375379627.db2.gz FUSBUBHDAWZXND-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cccc(F)c2)C1 ZINC001132435740 1375379940 /nfs/dbraw/zinc/37/99/40/1375379940.db2.gz FUSBUBHDAWZXND-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(F)c2)C1 ZINC001132435740 1375379941 /nfs/dbraw/zinc/37/99/41/1375379941.db2.gz FUSBUBHDAWZXND-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(F)c2)C1 ZINC001132435740 1375379942 /nfs/dbraw/zinc/37/99/42/1375379942.db2.gz FUSBUBHDAWZXND-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(F)cc2)C1 ZINC001132437144 1375380614 /nfs/dbraw/zinc/38/06/14/1375380614.db2.gz QROSXRGVJUZGOO-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cc2)C1 ZINC001132437144 1375380617 /nfs/dbraw/zinc/38/06/17/1375380617.db2.gz QROSXRGVJUZGOO-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cc2)C1 ZINC001132437144 1375380620 /nfs/dbraw/zinc/38/06/20/1375380620.db2.gz QROSXRGVJUZGOO-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC2CCCCC2)C1 ZINC001132436368 1375380799 /nfs/dbraw/zinc/38/07/99/1375380799.db2.gz KWUZXQUIOXJTOQ-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCCCC2)C1 ZINC001132436368 1375380804 /nfs/dbraw/zinc/38/08/04/1375380804.db2.gz KWUZXQUIOXJTOQ-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CCCCC2)C1 ZINC001132436368 1375380809 /nfs/dbraw/zinc/38/08/09/1375380809.db2.gz KWUZXQUIOXJTOQ-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(F)cc2)C1 ZINC001132437143 1375381400 /nfs/dbraw/zinc/38/14/00/1375381400.db2.gz QROSXRGVJUZGOO-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cc2)C1 ZINC001132437143 1375381405 /nfs/dbraw/zinc/38/14/05/1375381405.db2.gz QROSXRGVJUZGOO-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)cc2)C1 ZINC001132437143 1375381413 /nfs/dbraw/zinc/38/14/13/1375381413.db2.gz QROSXRGVJUZGOO-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132518132 1375435565 /nfs/dbraw/zinc/43/55/65/1375435565.db2.gz IWGPDEBYSKICDG-MJGOQNOKSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001132518132 1375435568 /nfs/dbraw/zinc/43/55/68/1375435568.db2.gz IWGPDEBYSKICDG-MJGOQNOKSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001132518132 1375435569 /nfs/dbraw/zinc/43/55/69/1375435569.db2.gz IWGPDEBYSKICDG-MJGOQNOKSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132518748 1375437101 /nfs/dbraw/zinc/43/71/01/1375437101.db2.gz NSIOZAYNONHHNP-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001132518748 1375437105 /nfs/dbraw/zinc/43/71/05/1375437105.db2.gz NSIOZAYNONHHNP-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001132518748 1375437108 /nfs/dbraw/zinc/43/71/08/1375437108.db2.gz NSIOZAYNONHHNP-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132519396 1375437590 /nfs/dbraw/zinc/43/75/90/1375437590.db2.gz YDKXDDZYFAZZAH-DLBZAZTESA-N 2 1 325.541 3.122 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCC(C)(C)C)C1 ZINC001132519396 1375437593 /nfs/dbraw/zinc/43/75/93/1375437593.db2.gz YDKXDDZYFAZZAH-DLBZAZTESA-N 2 1 325.541 3.122 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC(C)(C)C)C1 ZINC001132519396 1375437597 /nfs/dbraw/zinc/43/75/97/1375437597.db2.gz YDKXDDZYFAZZAH-DLBZAZTESA-N 2 1 325.541 3.122 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CC1=CCCCC1 ZINC001132524821 1375440752 /nfs/dbraw/zinc/44/07/52/1375440752.db2.gz MGHWOGQXHJPTFK-QUCCMNQESA-N 2 1 347.547 3.332 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CC1=CCCCC1 ZINC001132524819 1375440931 /nfs/dbraw/zinc/44/09/31/1375440931.db2.gz MGHWOGQXHJPTFK-AZUAARDMSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)(C)CCC[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001227792659 1375475919 /nfs/dbraw/zinc/47/59/19/1375475919.db2.gz QVRMEBHDONVORD-QGZVFWFLSA-N 2 1 346.519 3.167 20 0 EGADMP O=C(NCC[NH2+]CCC1=CCCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132794801 1375568698 /nfs/dbraw/zinc/56/86/98/1375568698.db2.gz GNLLTNIBXMBFOE-HXUWFJFHSA-N 2 1 347.547 3.380 20 0 EGADMP C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C[NH2+]CC1CC1 ZINC001133011174 1375709846 /nfs/dbraw/zinc/70/98/46/1375709846.db2.gz HISSFTMYVCEGCF-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+]1CC[C@@H](Oc2ccc3c(n2)C[NH+](Cc2ccccc2)CC3)C1 ZINC001229058095 1375753448 /nfs/dbraw/zinc/75/34/48/1375753448.db2.gz UOTGKQLHFASSCS-LJQANCHMSA-N 2 1 337.467 3.113 20 0 EGADMP CC[N@H+]1CC[C@@H](Oc2ccc3c(n2)C[NH+](Cc2ccccc2)CC3)C1 ZINC001229058095 1375753450 /nfs/dbraw/zinc/75/34/50/1375753450.db2.gz UOTGKQLHFASSCS-LJQANCHMSA-N 2 1 337.467 3.113 20 0 EGADMP CC[NH+]1CC[C@@H](Oc2ccc3c(n2)C[N@@H+](Cc2ccccc2)CC3)C1 ZINC001229058095 1375753453 /nfs/dbraw/zinc/75/34/53/1375753453.db2.gz UOTGKQLHFASSCS-LJQANCHMSA-N 2 1 337.467 3.113 20 0 EGADMP CC[NH+]1CC[C@@H](Oc2ccc3c(n2)C[N@H+](Cc2ccccc2)CC3)C1 ZINC001229058095 1375753456 /nfs/dbraw/zinc/75/34/56/1375753456.db2.gz UOTGKQLHFASSCS-LJQANCHMSA-N 2 1 337.467 3.113 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC(C)C)C1 ZINC001133166406 1375819657 /nfs/dbraw/zinc/81/96/57/1375819657.db2.gz TZKFDCVKJYSSHK-PKOBYXMFSA-N 2 1 348.535 3.092 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001230107479 1375943785 /nfs/dbraw/zinc/94/37/85/1375943785.db2.gz HCRIXPIRZAWBSU-INIZCTEOSA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001230284876 1375983777 /nfs/dbraw/zinc/98/37/77/1375983777.db2.gz XTTNFPRQQHZGPJ-RTBURBONSA-N 2 1 337.552 3.314 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001230286186 1375985066 /nfs/dbraw/zinc/98/50/66/1375985066.db2.gz FDLKGIMLPXUKGE-AQNXPRMDSA-N 2 1 345.531 3.497 20 0 EGADMP CCC/C=C/CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001230359983 1376008553 /nfs/dbraw/zinc/00/85/53/1376008553.db2.gz NYGQPTGUZJUBER-OVKVCFKUSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+]2CCC(C)C)CC1 ZINC001230617504 1376103895 /nfs/dbraw/zinc/10/38/95/1376103895.db2.gz BJULVFSTDNOPOT-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCC(C)C)CC1 ZINC001230617504 1376103896 /nfs/dbraw/zinc/10/38/96/1376103896.db2.gz BJULVFSTDNOPOT-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CCC(C)C)CC1 ZINC001230617504 1376103900 /nfs/dbraw/zinc/10/39/00/1376103900.db2.gz BJULVFSTDNOPOT-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001327187101 1388430072 /nfs/dbraw/zinc/43/00/72/1388430072.db2.gz AQEBHHUHUBNYNQ-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001327187101 1388430076 /nfs/dbraw/zinc/43/00/76/1388430076.db2.gz AQEBHHUHUBNYNQ-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001327187101 1388430081 /nfs/dbraw/zinc/43/00/81/1388430081.db2.gz AQEBHHUHUBNYNQ-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccc(Cl)cc1 ZINC001133917490 1376264151 /nfs/dbraw/zinc/26/41/51/1376264151.db2.gz AEFOCZFIFKHDGQ-CQSZACIVSA-N 2 1 339.911 3.085 20 0 EGADMP CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232014631 1376383859 /nfs/dbraw/zinc/38/38/59/1376383859.db2.gz SZTMGIYORLPTRE-OAHLLOKOSA-N 2 1 330.432 3.004 20 0 EGADMP CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232014631 1376383864 /nfs/dbraw/zinc/38/38/64/1376383864.db2.gz SZTMGIYORLPTRE-OAHLLOKOSA-N 2 1 330.432 3.004 20 0 EGADMP C[C@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CCCN1C(=O)OC(C)(C)C ZINC001232017024 1376386413 /nfs/dbraw/zinc/38/64/13/1376386413.db2.gz JSRICYYEPOVXTC-AWEZNQCLSA-N 2 1 344.459 3.394 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CCCN1C(=O)OC(C)(C)C ZINC001232017024 1376386418 /nfs/dbraw/zinc/38/64/18/1376386418.db2.gz JSRICYYEPOVXTC-AWEZNQCLSA-N 2 1 344.459 3.394 20 0 EGADMP FC(F)n1c2ccccc2nc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001327206256 1388443402 /nfs/dbraw/zinc/44/34/02/1388443402.db2.gz NWHDXDSNZHUQOS-UHFFFAOYSA-N 2 1 334.414 3.397 20 0 EGADMP FC(F)n1c2ccccc2nc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001327206256 1388443407 /nfs/dbraw/zinc/44/34/07/1388443407.db2.gz NWHDXDSNZHUQOS-UHFFFAOYSA-N 2 1 334.414 3.397 20 0 EGADMP CCOC(=O)c1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c(Cl)c1 ZINC001232594669 1376485417 /nfs/dbraw/zinc/48/54/17/1376485417.db2.gz XHNVLPBNZUUPCF-UHFFFAOYSA-N 2 1 336.863 3.044 20 0 EGADMP Cc1cccc(C)c1C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134607871 1376622395 /nfs/dbraw/zinc/62/23/95/1376622395.db2.gz MZAYFQITROKOGW-MSOLQXFVSA-N 2 1 345.531 3.161 20 0 EGADMP Cc1cc(C)cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001134608400 1376623193 /nfs/dbraw/zinc/62/31/93/1376623193.db2.gz VJUUCHDHKWARJF-QZTJIDSGSA-N 2 1 345.531 3.161 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612800 1376624645 /nfs/dbraw/zinc/62/46/45/1376624645.db2.gz QGYRASXZJVZUNR-IRXDYDNUSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001134767488 1376710328 /nfs/dbraw/zinc/71/03/28/1376710328.db2.gz YSTGBHQMXXFPNQ-HXUWFJFHSA-N 2 1 345.531 3.279 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC001134774533 1376713213 /nfs/dbraw/zinc/71/32/13/1376713213.db2.gz ZFRFLJXMQVKQSM-HZPDHXFCSA-N 2 1 325.541 3.170 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001134773177 1376713808 /nfs/dbraw/zinc/71/38/08/1376713808.db2.gz NAJHSLXDYPIKMH-DLBZAZTESA-N 2 1 333.520 3.098 20 0 EGADMP CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134792145 1376726189 /nfs/dbraw/zinc/72/61/89/1376726189.db2.gz ZAUYLRQUFWHIMR-CVEARBPZSA-N 2 1 325.541 3.312 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001233980164 1376747921 /nfs/dbraw/zinc/74/79/21/1376747921.db2.gz NDWXCQHAJPAIOP-UHFFFAOYSA-N 2 1 348.450 3.383 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC(C)(C)C ZINC001234215685 1376787881 /nfs/dbraw/zinc/78/78/81/1376787881.db2.gz OPEUMGBAIJJZRR-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC(C)(C)C ZINC001234215685 1376787882 /nfs/dbraw/zinc/78/78/82/1376787882.db2.gz OPEUMGBAIJJZRR-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCC(C)(C)C ZINC001234215685 1376787885 /nfs/dbraw/zinc/78/78/85/1376787885.db2.gz OPEUMGBAIJJZRR-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP c1ccc2c(c1)sc1c2cccc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235054635 1376844590 /nfs/dbraw/zinc/84/45/90/1376844590.db2.gz QJHDJDOOBQWIRU-HXUWFJFHSA-N 2 1 337.492 3.192 20 0 EGADMP c1ccc(Cc2ccc(C[N@H+]3CCC[C@]4(CNCCO4)C3)cc2)cc1 ZINC001235122777 1376852135 /nfs/dbraw/zinc/85/21/35/1376852135.db2.gz ZCSDHZGKAJWNEX-QFIPXVFZSA-N 2 1 336.479 3.232 20 0 EGADMP c1ccc(Cc2ccc(CN3CCC[C@]4(C[NH2+]CCO4)C3)cc2)cc1 ZINC001235122777 1376852145 /nfs/dbraw/zinc/85/21/45/1376852145.db2.gz ZCSDHZGKAJWNEX-QFIPXVFZSA-N 2 1 336.479 3.232 20 0 EGADMP Brc1cccc2[nH]c(C[NH+]3CCC(C4C[NH2+]C4)CC3)cc21 ZINC001235338080 1376868107 /nfs/dbraw/zinc/86/81/07/1376868107.db2.gz AUBOBIGSPWYFPT-UHFFFAOYSA-N 2 1 348.288 3.362 20 0 EGADMP COc1ccc2c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c[nH]c2c1 ZINC001235429733 1376870196 /nfs/dbraw/zinc/87/01/96/1376870196.db2.gz RERONZQEVPHUQO-HOTGVXAUSA-N 2 1 327.472 3.388 20 0 EGADMP CN(C)c1ccnc(Cl)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235428600 1376870918 /nfs/dbraw/zinc/87/09/18/1376870918.db2.gz QVFREQWIAGPSPA-GJZGRUSLSA-N 2 1 336.911 3.013 20 0 EGADMP CN(C)c1ccnc(Cl)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235428603 1376871049 /nfs/dbraw/zinc/87/10/49/1376871049.db2.gz QVFREQWIAGPSPA-HUUCEWRRSA-N 2 1 336.911 3.013 20 0 EGADMP Clc1cccc2ncc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n21 ZINC001235430060 1376871602 /nfs/dbraw/zinc/87/16/02/1376871602.db2.gz WGSLEPNTMYAMIZ-HUUCEWRRSA-N 2 1 332.879 3.199 20 0 EGADMP Clc1cccc2ncc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n21 ZINC001235430059 1376871801 /nfs/dbraw/zinc/87/18/01/1376871801.db2.gz WGSLEPNTMYAMIZ-GJZGRUSLSA-N 2 1 332.879 3.199 20 0 EGADMP CC1([NH+]2CCN(Cc3c[nH]c4c3cccc4Cl)CC2)CC[NH2+]CC1 ZINC001235814336 1376897817 /nfs/dbraw/zinc/89/78/17/1376897817.db2.gz BLOVIBRJFDUSBZ-UHFFFAOYSA-N 2 1 346.906 3.081 20 0 EGADMP CC1(N2CC[NH+](Cc3c[nH]c4c3cccc4Cl)CC2)CC[NH2+]CC1 ZINC001235814336 1376897827 /nfs/dbraw/zinc/89/78/27/1376897827.db2.gz BLOVIBRJFDUSBZ-UHFFFAOYSA-N 2 1 346.906 3.081 20 0 EGADMP Fc1cccc(C[N@H+]([C@@H]2CCC[NH2+]C2)[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246938755 1377056000 /nfs/dbraw/zinc/05/60/00/1377056000.db2.gz TWGUZZOVNLKZTJ-NJDAHSKKSA-N 3 1 345.506 3.302 20 0 EGADMP Fc1cccc(C[N@@H+]([C@@H]2CCC[NH2+]C2)[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246938755 1377056006 /nfs/dbraw/zinc/05/60/06/1377056006.db2.gz TWGUZZOVNLKZTJ-NJDAHSKKSA-N 3 1 345.506 3.302 20 0 EGADMP Cc1ccc(F)c(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c1 ZINC001247908898 1377065271 /nfs/dbraw/zinc/06/52/71/1377065271.db2.gz ZCOOZAKTRHDNJG-UHFFFAOYSA-N 2 1 344.434 3.116 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001135437480 1377098029 /nfs/dbraw/zinc/09/80/29/1377098029.db2.gz VPAGJDKNZKOMBD-UHFFFAOYSA-N 2 1 333.520 3.021 20 0 EGADMP CC(C)[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001253760441 1377100018 /nfs/dbraw/zinc/10/00/18/1377100018.db2.gz HAOCNXDHSPWTRA-GDAAHCPNSA-N 2 1 336.545 3.297 20 0 EGADMP CC(C)[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001253760441 1377100022 /nfs/dbraw/zinc/10/00/22/1377100022.db2.gz HAOCNXDHSPWTRA-GDAAHCPNSA-N 2 1 336.545 3.297 20 0 EGADMP CC(C)[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001253760441 1377100025 /nfs/dbraw/zinc/10/00/25/1377100025.db2.gz HAOCNXDHSPWTRA-GDAAHCPNSA-N 2 1 336.545 3.297 20 0 EGADMP CC(C)[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001253760444 1377100052 /nfs/dbraw/zinc/10/00/52/1377100052.db2.gz HAOCNXDHSPWTRA-WZGPROSRSA-N 2 1 336.545 3.297 20 0 EGADMP CC(C)[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001253760444 1377100054 /nfs/dbraw/zinc/10/00/54/1377100054.db2.gz HAOCNXDHSPWTRA-WZGPROSRSA-N 2 1 336.545 3.297 20 0 EGADMP CC(C)[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001253760444 1377100055 /nfs/dbraw/zinc/10/00/55/1377100055.db2.gz HAOCNXDHSPWTRA-WZGPROSRSA-N 2 1 336.545 3.297 20 0 EGADMP C[N@@H+]1CCC[C@H]([NH+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001254529756 1377106361 /nfs/dbraw/zinc/10/63/61/1377106361.db2.gz PTRYUHJSADGAHO-AWEZNQCLSA-N 2 1 331.287 3.272 20 0 EGADMP C[N@H+]1CCC[C@H]([NH+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001254529756 1377106364 /nfs/dbraw/zinc/10/63/64/1377106364.db2.gz PTRYUHJSADGAHO-AWEZNQCLSA-N 2 1 331.287 3.272 20 0 EGADMP C[NH+]1CCC[C@H]([N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001254529756 1377106365 /nfs/dbraw/zinc/10/63/65/1377106365.db2.gz PTRYUHJSADGAHO-AWEZNQCLSA-N 2 1 331.287 3.272 20 0 EGADMP C[NH+]1CCC[C@H]([N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001254529756 1377106368 /nfs/dbraw/zinc/10/63/68/1377106368.db2.gz PTRYUHJSADGAHO-AWEZNQCLSA-N 2 1 331.287 3.272 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)[C@@H]1CCC[NH+](C)CC1 ZINC001254527988 1377106864 /nfs/dbraw/zinc/10/68/64/1377106864.db2.gz AJQSONYOYFBGMC-TYPHKJRUSA-N 2 1 329.532 3.313 20 0 EGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1N(C)[C@@H]1CCC[N@H+](C)CC1 ZINC001254527988 1377106867 /nfs/dbraw/zinc/10/68/67/1377106867.db2.gz AJQSONYOYFBGMC-TYPHKJRUSA-N 2 1 329.532 3.313 20 0 EGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1N(C)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254527988 1377106870 /nfs/dbraw/zinc/10/68/70/1377106870.db2.gz AJQSONYOYFBGMC-TYPHKJRUSA-N 2 1 329.532 3.313 20 0 EGADMP C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH+](C)[C@@H]1CCC[N@H+](C)CC1 ZINC001254527988 1377106881 /nfs/dbraw/zinc/10/68/81/1377106881.db2.gz AJQSONYOYFBGMC-TYPHKJRUSA-N 2 1 329.532 3.313 20 0 EGADMP C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH+](C)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254527988 1377106883 /nfs/dbraw/zinc/10/68/83/1377106883.db2.gz AJQSONYOYFBGMC-TYPHKJRUSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)(C)OC(=O)N1CCC2(CCC([NH2+]C(C)(C)C[NH3+])CC2)CC1 ZINC001254788450 1377108786 /nfs/dbraw/zinc/10/87/86/1377108786.db2.gz UCKKPSVVVPZWIY-UHFFFAOYSA-N 2 1 339.524 3.273 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CCc1ccccc1 ZINC001135475659 1377110183 /nfs/dbraw/zinc/11/01/83/1377110183.db2.gz DNWOWHSBIDOPQN-MSOLQXFVSA-N 2 1 347.547 3.080 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135476980 1377110629 /nfs/dbraw/zinc/11/06/29/1377110629.db2.gz PFKVIPSEEYOGMY-IAGOWNOFSA-N 2 1 339.568 3.418 20 0 EGADMP CCCC(CCC)[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001257339681 1377113925 /nfs/dbraw/zinc/11/39/25/1377113925.db2.gz COSUQWXYUSTWMT-UHFFFAOYSA-N 2 1 336.524 3.136 20 0 EGADMP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135601194 1377159185 /nfs/dbraw/zinc/15/91/85/1377159185.db2.gz SBDSOAUCKUVTIZ-IRXDYDNUSA-N 2 1 334.508 3.236 20 0 EGADMP CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135601742 1377159728 /nfs/dbraw/zinc/15/97/28/1377159728.db2.gz XFVNMOWUDVRJPI-IRXDYDNUSA-N 2 1 336.524 3.316 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(C)C ZINC001135690528 1377184956 /nfs/dbraw/zinc/18/49/56/1377184956.db2.gz IKYUANUDOLVSDK-QZTJIDSGSA-N 2 1 327.557 3.418 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135980297 1377285947 /nfs/dbraw/zinc/28/59/47/1377285947.db2.gz NGRMFVFWABEAHK-DLBZAZTESA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001135995151 1377291808 /nfs/dbraw/zinc/29/18/08/1377291808.db2.gz AAEPVMZJXMVFEN-OALUTQOASA-N 2 1 347.547 3.142 20 0 EGADMP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001136536106 1377403449 /nfs/dbraw/zinc/40/34/49/1377403449.db2.gz RHWMKNSZFQLUHY-PMACEKPBSA-N 2 1 345.531 3.230 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001269291260 1377548121 /nfs/dbraw/zinc/54/81/21/1377548121.db2.gz HRSRNGJEQYYKRS-ZWKOTPCHSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001269291260 1377548122 /nfs/dbraw/zinc/54/81/22/1377548122.db2.gz HRSRNGJEQYYKRS-ZWKOTPCHSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001269291260 1377548123 /nfs/dbraw/zinc/54/81/23/1377548123.db2.gz HRSRNGJEQYYKRS-ZWKOTPCHSA-N 2 1 345.531 3.224 20 0 EGADMP COCC[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C1CCN(C)CC1 ZINC001137864921 1377632997 /nfs/dbraw/zinc/63/29/97/1377632997.db2.gz SYKBQJNSFJPJTL-UHFFFAOYSA-N 2 1 348.384 3.387 20 0 EGADMP COCC[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C1CCN(C)CC1 ZINC001137864921 1377632999 /nfs/dbraw/zinc/63/29/99/1377632999.db2.gz SYKBQJNSFJPJTL-UHFFFAOYSA-N 2 1 348.384 3.387 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+](Cc2cc3cc(C)ccc3[nH]2)CC1 ZINC001138419879 1377721138 /nfs/dbraw/zinc/72/11/38/1377721138.db2.gz HDTTZDJPVUSEMT-UHFFFAOYSA-N 2 1 342.531 3.326 20 0 EGADMP COc1cc(C)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001138441816 1377724770 /nfs/dbraw/zinc/72/47/70/1377724770.db2.gz USLDAVCYKXFRBH-KRWDZBQOSA-N 2 1 342.439 3.369 20 0 EGADMP COc1cc(C)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001138441816 1377724773 /nfs/dbraw/zinc/72/47/73/1377724773.db2.gz USLDAVCYKXFRBH-KRWDZBQOSA-N 2 1 342.439 3.369 20 0 EGADMP CNc1ncccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001138691005 1377768469 /nfs/dbraw/zinc/76/84/69/1377768469.db2.gz BFHTYOMLMPOXBG-UHFFFAOYSA-N 2 1 340.471 3.204 20 0 EGADMP COc1cc(Cl)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1OC ZINC001138746681 1377779346 /nfs/dbraw/zinc/77/93/46/1377779346.db2.gz LAHNZUGXNURXDF-UHFFFAOYSA-N 2 1 326.868 3.131 20 0 EGADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC001138831209 1377793214 /nfs/dbraw/zinc/79/32/14/1377793214.db2.gz ZPXZDMLDTMUKSA-UHFFFAOYSA-N 2 1 326.488 3.073 20 0 EGADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(Cl)c1OC ZINC001139119813 1377833201 /nfs/dbraw/zinc/83/32/01/1377833201.db2.gz BFQQJVFIYYTEGL-UHFFFAOYSA-N 2 1 338.879 3.275 20 0 EGADMP c1ncn(-c2ccccc2C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001139421699 1377881330 /nfs/dbraw/zinc/88/13/30/1377881330.db2.gz ZNDIHYQMTPAVES-IBGZPJMESA-N 2 1 339.487 3.108 20 0 EGADMP COC1CC[NH+](C2CC[NH+](Cc3c(C)cc(O)cc3C)CC2)CC1 ZINC001139716870 1377940227 /nfs/dbraw/zinc/94/02/27/1377940227.db2.gz JLXUXBPQRYBQBP-UHFFFAOYSA-N 2 1 332.488 3.084 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccncc3O)C[C@@H]21 ZINC001140277520 1378038800 /nfs/dbraw/zinc/03/88/00/1378038800.db2.gz CGLMXEBWRLYIAE-ZJOUEHCJSA-N 2 1 337.467 3.398 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)c(C)c1 ZINC001274643208 1378131411 /nfs/dbraw/zinc/13/14/11/1378131411.db2.gz IJSUWBGLHHCTMB-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP COc1cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c(OC)cc1C ZINC001275581673 1378144666 /nfs/dbraw/zinc/14/46/66/1378144666.db2.gz AMDWEGJUQJDMMI-UHFFFAOYSA-N 2 1 332.488 3.320 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cncc(F)c1)Cc1ccccc12 ZINC001276336402 1378171842 /nfs/dbraw/zinc/17/18/42/1378171842.db2.gz KMVPLSMQRMDRGQ-UHFFFAOYSA-N 2 1 325.431 3.200 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cncc(F)c1)Cc1ccccc12 ZINC001276336402 1378171844 /nfs/dbraw/zinc/17/18/44/1378171844.db2.gz KMVPLSMQRMDRGQ-UHFFFAOYSA-N 2 1 325.431 3.200 20 0 EGADMP CS[C@@H](C)CC[NH+]1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276470685 1378174574 /nfs/dbraw/zinc/17/45/74/1378174574.db2.gz PTIREUNJZPCQLZ-INIZCTEOSA-N 2 1 336.549 3.229 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCc3c(F)cccc3C2)CC1 ZINC001140971393 1378196434 /nfs/dbraw/zinc/19/64/34/1378196434.db2.gz UBPJWCLQVUYXIU-UHFFFAOYSA-N 2 1 339.458 3.136 20 0 EGADMP CCc1ccccc1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001141224878 1378275192 /nfs/dbraw/zinc/27/51/92/1378275192.db2.gz PQVHINWCEKLVGT-UHFFFAOYSA-N 2 1 338.499 3.100 20 0 EGADMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2cccc(-n3ccnc3)c2)C1 ZINC001141243218 1378281080 /nfs/dbraw/zinc/28/10/80/1378281080.db2.gz AIXOXHCRTCVNST-IBGZPJMESA-N 2 1 334.423 3.229 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCC1 ZINC001280546081 1378354172 /nfs/dbraw/zinc/35/41/72/1378354172.db2.gz VROHVKWBLWQIOQ-SFHVURJKSA-N 2 1 335.536 3.070 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1(C)CCCCC1 ZINC001143140729 1378546088 /nfs/dbraw/zinc/54/60/88/1378546088.db2.gz VADPYTDBWBUBDM-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP Cc1cc(F)cc(CN2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001143584883 1378620984 /nfs/dbraw/zinc/62/09/84/1378620984.db2.gz BIOBOWUBEXLYMT-FQEVSTJZSA-N 2 1 334.479 3.457 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001144005516 1378669785 /nfs/dbraw/zinc/66/97/85/1378669785.db2.gz VYEOPDAXVROMJL-INIZCTEOSA-N 2 1 344.377 3.121 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001144003396 1378669976 /nfs/dbraw/zinc/66/99/76/1378669976.db2.gz QSDQJRFVIIIYTG-UHFFFAOYSA-N 2 1 346.393 3.367 20 0 EGADMP Cc1c(O)cccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001144112704 1378683597 /nfs/dbraw/zinc/68/35/97/1378683597.db2.gz LYFBWDQPSAJPRS-UXHICEINSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1c(O)cccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001144112704 1378683598 /nfs/dbraw/zinc/68/35/98/1378683598.db2.gz LYFBWDQPSAJPRS-UXHICEINSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1c(O)cccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001144112704 1378683600 /nfs/dbraw/zinc/68/36/00/1378683600.db2.gz LYFBWDQPSAJPRS-UXHICEINSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1c(O)cccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001144112704 1378683602 /nfs/dbraw/zinc/68/36/02/1378683602.db2.gz LYFBWDQPSAJPRS-UXHICEINSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001146334130 1378820074 /nfs/dbraw/zinc/82/00/74/1378820074.db2.gz VAJCFWSTLZFOQS-HZPDHXFCSA-N 2 1 334.508 3.035 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC/C=C\c1ccccc1 ZINC001146590868 1378872894 /nfs/dbraw/zinc/87/28/94/1378872894.db2.gz CNILUNFEIGXFRW-LZZACLKFSA-N 2 1 345.531 3.303 20 0 EGADMP CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707586 1378904440 /nfs/dbraw/zinc/90/44/40/1378904440.db2.gz UJHHTQZABCBFBM-KAGICYHLSA-N 2 1 345.531 3.348 20 0 EGADMP CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707586 1378904443 /nfs/dbraw/zinc/90/44/43/1378904443.db2.gz UJHHTQZABCBFBM-KAGICYHLSA-N 2 1 345.531 3.348 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](C)CC(C)C ZINC001147359548 1379008936 /nfs/dbraw/zinc/00/89/36/1379008936.db2.gz RJMYVSOFHKDPKL-ZWKOTPCHSA-N 2 1 325.541 3.029 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001148154011 1379126055 /nfs/dbraw/zinc/12/60/55/1379126055.db2.gz YIDQCUZWCQNEJW-UHFFFAOYSA-N 2 1 347.503 3.069 20 0 EGADMP C[N@@H+](CC(=O)N1CC2(C1)CC[NH+](CCC1CCCC1)C2)CC(C)(C)C ZINC001148315896 1379150618 /nfs/dbraw/zinc/15/06/18/1379150618.db2.gz ZSIYNDSORUBTHR-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC(=O)N1CC2(C1)CC[N@H+](CCC1CCCC1)C2)CC(C)(C)C ZINC001148315896 1379150622 /nfs/dbraw/zinc/15/06/22/1379150622.db2.gz ZSIYNDSORUBTHR-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC(=O)N1CC2(C1)CC[N@@H+](CCC1CCCC1)C2)CC(C)(C)C ZINC001148315896 1379150626 /nfs/dbraw/zinc/15/06/26/1379150626.db2.gz ZSIYNDSORUBTHR-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148385837 1379161221 /nfs/dbraw/zinc/16/12/21/1379161221.db2.gz RHTZADAIBWOTQH-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001148385837 1379161226 /nfs/dbraw/zinc/16/12/26/1379161226.db2.gz RHTZADAIBWOTQH-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001148385837 1379161229 /nfs/dbraw/zinc/16/12/29/1379161229.db2.gz RHTZADAIBWOTQH-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477544 1379182782 /nfs/dbraw/zinc/18/27/82/1379182782.db2.gz XAOFCDGIGXTHRR-JBVUFVISSA-N 2 1 349.563 3.243 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC[C@@H]1CCC[C@H](C)C1)C2 ZINC001148652174 1379234175 /nfs/dbraw/zinc/23/41/75/1379234175.db2.gz YGETXGYULPGZCI-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CC[C@@H]1CCC[C@H](C)C1)C2 ZINC001148652174 1379234177 /nfs/dbraw/zinc/23/41/77/1379234177.db2.gz YGETXGYULPGZCI-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CC[C@@H]1CCC[C@H](C)C1)C2 ZINC001148652174 1379234179 /nfs/dbraw/zinc/23/41/79/1379234179.db2.gz YGETXGYULPGZCI-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001148827923 1379278145 /nfs/dbraw/zinc/27/81/45/1379278145.db2.gz RORCYKXROSHOBF-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CC/C=C/CC[N@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148900297 1379294521 /nfs/dbraw/zinc/29/45/21/1379294521.db2.gz YSTGCCFETWMOBM-ONEGZZNKSA-N 2 1 347.547 3.143 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001754326289 1440580663 /nfs/dbraw/zinc/58/06/63/1440580663.db2.gz HAKQHUHMSOOVEI-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001152458378 1379937053 /nfs/dbraw/zinc/93/70/53/1379937053.db2.gz OLUPCFWFCQWTLQ-PXNSSMCTSA-N 2 1 345.531 3.451 20 0 EGADMP CCCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001153446091 1380078072 /nfs/dbraw/zinc/07/80/72/1380078072.db2.gz OOMUXABXUDXEFY-DLBZAZTESA-N 2 1 336.524 3.413 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001153446091 1380078075 /nfs/dbraw/zinc/07/80/75/1380078075.db2.gz OOMUXABXUDXEFY-DLBZAZTESA-N 2 1 336.524 3.413 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001153501695 1380085776 /nfs/dbraw/zinc/08/57/76/1380085776.db2.gz RDWDCJRXSLQDQP-RXGQBHOASA-N 2 1 337.552 3.290 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001153501695 1380085778 /nfs/dbraw/zinc/08/57/78/1380085778.db2.gz RDWDCJRXSLQDQP-RXGQBHOASA-N 2 1 337.552 3.290 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001153501695 1380085779 /nfs/dbraw/zinc/08/57/79/1380085779.db2.gz RDWDCJRXSLQDQP-RXGQBHOASA-N 2 1 337.552 3.290 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001153814829 1380135493 /nfs/dbraw/zinc/13/54/93/1380135493.db2.gz ZTXZGLZLNXYYJX-MJGOQNOKSA-N 2 1 339.568 3.227 20 0 EGADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001153814829 1380135495 /nfs/dbraw/zinc/13/54/95/1380135495.db2.gz ZTXZGLZLNXYYJX-MJGOQNOKSA-N 2 1 339.568 3.227 20 0 EGADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001153814829 1380135499 /nfs/dbraw/zinc/13/54/99/1380135499.db2.gz ZTXZGLZLNXYYJX-MJGOQNOKSA-N 2 1 339.568 3.227 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001153818857 1380136192 /nfs/dbraw/zinc/13/61/92/1380136192.db2.gz CYYBRRIUNBONFG-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](CC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001153818857 1380136193 /nfs/dbraw/zinc/13/61/93/1380136193.db2.gz CYYBRRIUNBONFG-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](CC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001153818857 1380136194 /nfs/dbraw/zinc/13/61/94/1380136194.db2.gz CYYBRRIUNBONFG-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC2(CC2)CC1)[NH+](C)C ZINC001154001248 1380175016 /nfs/dbraw/zinc/17/50/16/1380175016.db2.gz QHYXOYIUQRXRBC-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154123394 1380213236 /nfs/dbraw/zinc/21/32/36/1380213236.db2.gz XZGLFOLCAVSURS-UYAOXDASSA-N 2 1 345.531 3.134 20 0 EGADMP CC[NH+](Cc1ccccc1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001154123394 1380213238 /nfs/dbraw/zinc/21/32/38/1380213238.db2.gz XZGLFOLCAVSURS-UYAOXDASSA-N 2 1 345.531 3.134 20 0 EGADMP CC[NH+](Cc1ccccc1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001154123394 1380213240 /nfs/dbraw/zinc/21/32/40/1380213240.db2.gz XZGLFOLCAVSURS-UYAOXDASSA-N 2 1 345.531 3.134 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154179084 1380222048 /nfs/dbraw/zinc/22/20/48/1380222048.db2.gz UWZSFEDJIINLHH-MRXNPFEDSA-N 2 1 342.487 3.355 20 0 EGADMP CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001154844621 1380363575 /nfs/dbraw/zinc/36/35/75/1380363575.db2.gz QHRNPIFIBVGGDQ-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](CCC1CC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001154844621 1380363578 /nfs/dbraw/zinc/36/35/78/1380363578.db2.gz QHRNPIFIBVGGDQ-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](CCC1CC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001154844621 1380363585 /nfs/dbraw/zinc/36/35/85/1380363585.db2.gz QHRNPIFIBVGGDQ-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876427 1380370770 /nfs/dbraw/zinc/37/07/70/1380370770.db2.gz PPNHSFNUKOQFEM-AEFFLSMTSA-N 2 1 348.535 3.017 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876427 1380370773 /nfs/dbraw/zinc/37/07/73/1380370773.db2.gz PPNHSFNUKOQFEM-AEFFLSMTSA-N 2 1 348.535 3.017 20 0 EGADMP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876647 1380370975 /nfs/dbraw/zinc/37/09/75/1380370975.db2.gz SVLGHMNATZGCFP-WBVHZDCISA-N 2 1 348.535 3.017 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876647 1380370976 /nfs/dbraw/zinc/37/09/76/1380370976.db2.gz SVLGHMNATZGCFP-WBVHZDCISA-N 2 1 348.535 3.017 20 0 EGADMP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876849 1380370980 /nfs/dbraw/zinc/37/09/80/1380370980.db2.gz XOHMMNGSSYITTM-AEFFLSMTSA-N 2 1 348.535 3.161 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876849 1380370981 /nfs/dbraw/zinc/37/09/81/1380370981.db2.gz XOHMMNGSSYITTM-AEFFLSMTSA-N 2 1 348.535 3.161 20 0 EGADMP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898631 1380374485 /nfs/dbraw/zinc/37/44/85/1380374485.db2.gz QANTYJHTAFGXDW-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@H+](Cc1sccc1Cl)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904472 1380374517 /nfs/dbraw/zinc/37/45/17/1380374517.db2.gz TZKRMMXHPFPZCP-CYBMUJFWSA-N 2 1 345.940 3.070 20 0 EGADMP CC[N@@H+](Cc1sccc1Cl)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904472 1380374519 /nfs/dbraw/zinc/37/45/19/1380374519.db2.gz TZKRMMXHPFPZCP-CYBMUJFWSA-N 2 1 345.940 3.070 20 0 EGADMP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155225831 1380426470 /nfs/dbraw/zinc/42/64/70/1380426470.db2.gz AFDBYUUYTCLROO-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155225831 1380426471 /nfs/dbraw/zinc/42/64/71/1380426471.db2.gz AFDBYUUYTCLROO-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155225831 1380426472 /nfs/dbraw/zinc/42/64/72/1380426472.db2.gz AFDBYUUYTCLROO-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155227167 1380426632 /nfs/dbraw/zinc/42/66/32/1380426632.db2.gz XAJJXUNQJXVYIH-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCCC(C)(C)C)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155227167 1380426633 /nfs/dbraw/zinc/42/66/33/1380426633.db2.gz XAJJXUNQJXVYIH-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCCC(C)(C)C)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155227167 1380426634 /nfs/dbraw/zinc/42/66/34/1380426634.db2.gz XAJJXUNQJXVYIH-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CCc1cccc(C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]2CCC[C@H]2C)c1 ZINC001155227283 1380426694 /nfs/dbraw/zinc/42/66/94/1380426694.db2.gz XMHLSLQEJYOKNB-QZTJIDSGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]2CCC[C@H]2C)c1 ZINC001155227283 1380426695 /nfs/dbraw/zinc/42/66/95/1380426695.db2.gz XMHLSLQEJYOKNB-QZTJIDSGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[NH+](CC)[C@H](C)CNC(=O)C[N@H+]2CCC[C@H]2C)c1 ZINC001155227283 1380426696 /nfs/dbraw/zinc/42/66/96/1380426696.db2.gz XMHLSLQEJYOKNB-QZTJIDSGSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226666 1380426801 /nfs/dbraw/zinc/42/68/01/1380426801.db2.gz MNKKGKCUDIGMIY-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155226666 1380426802 /nfs/dbraw/zinc/42/68/02/1380426802.db2.gz MNKKGKCUDIGMIY-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155226666 1380426803 /nfs/dbraw/zinc/42/68/03/1380426803.db2.gz MNKKGKCUDIGMIY-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244369 1380428598 /nfs/dbraw/zinc/42/85/98/1380428598.db2.gz PBILWUSGQMDTLG-NVXWUHKLSA-N 2 1 348.535 3.017 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244369 1380428599 /nfs/dbraw/zinc/42/85/99/1380428599.db2.gz PBILWUSGQMDTLG-NVXWUHKLSA-N 2 1 348.535 3.017 20 0 EGADMP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559049 1380468606 /nfs/dbraw/zinc/46/86/06/1380468606.db2.gz KTUDAQRYZLNBPX-MRXNPFEDSA-N 2 1 336.524 3.269 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559049 1380468608 /nfs/dbraw/zinc/46/86/08/1380468608.db2.gz KTUDAQRYZLNBPX-MRXNPFEDSA-N 2 1 336.524 3.269 20 0 EGADMP CC[C@H](C)C[N@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155607576 1380472854 /nfs/dbraw/zinc/47/28/54/1380472854.db2.gz RBNFRODODFEGOY-DLBZAZTESA-N 2 1 336.524 3.269 20 0 EGADMP CC[C@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155607576 1380472857 /nfs/dbraw/zinc/47/28/57/1380472857.db2.gz RBNFRODODFEGOY-DLBZAZTESA-N 2 1 336.524 3.269 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001155621092 1380474890 /nfs/dbraw/zinc/47/48/90/1380474890.db2.gz MZSKRKXOTHFLOZ-HKVOBHHDSA-N 2 1 337.552 3.432 20 0 EGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001155621092 1380474892 /nfs/dbraw/zinc/47/48/92/1380474892.db2.gz MZSKRKXOTHFLOZ-HKVOBHHDSA-N 2 1 337.552 3.432 20 0 EGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001155621092 1380474893 /nfs/dbraw/zinc/47/48/93/1380474893.db2.gz MZSKRKXOTHFLOZ-HKVOBHHDSA-N 2 1 337.552 3.432 20 0 EGADMP CC(C)N(CCC[NH3+])c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001156117783 1380527258 /nfs/dbraw/zinc/52/72/58/1380527258.db2.gz AXDFPFNQCZTVDA-UHFFFAOYSA-N 2 1 338.499 3.204 20 0 EGADMP CC[NH+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156194508 1380539855 /nfs/dbraw/zinc/53/98/55/1380539855.db2.gz PVCJQZDXUQJYAS-GOSISDBHSA-N 2 1 347.547 3.478 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1C(C)C ZINC001156194508 1380539856 /nfs/dbraw/zinc/53/98/56/1380539856.db2.gz PVCJQZDXUQJYAS-GOSISDBHSA-N 2 1 347.547 3.478 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1C(C)C ZINC001156194508 1380539857 /nfs/dbraw/zinc/53/98/57/1380539857.db2.gz PVCJQZDXUQJYAS-GOSISDBHSA-N 2 1 347.547 3.478 20 0 EGADMP CC[NH+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156200443 1380540695 /nfs/dbraw/zinc/54/06/95/1380540695.db2.gz MBPKWBVGUDMNCI-GOSISDBHSA-N 2 1 347.547 3.478 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C(C)C)cc1 ZINC001156200443 1380540697 /nfs/dbraw/zinc/54/06/97/1380540697.db2.gz MBPKWBVGUDMNCI-GOSISDBHSA-N 2 1 347.547 3.478 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C(C)C)cc1 ZINC001156200443 1380540698 /nfs/dbraw/zinc/54/06/98/1380540698.db2.gz MBPKWBVGUDMNCI-GOSISDBHSA-N 2 1 347.547 3.478 20 0 EGADMP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156200460 1380540880 /nfs/dbraw/zinc/54/08/80/1380540880.db2.gz MVDWSLFEWJSRLW-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CCCC1CCCC1 ZINC001156200460 1380540883 /nfs/dbraw/zinc/54/08/83/1380540883.db2.gz MVDWSLFEWJSRLW-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CCCC1CCCC1 ZINC001156200460 1380540885 /nfs/dbraw/zinc/54/08/85/1380540885.db2.gz MVDWSLFEWJSRLW-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)NC[C@@H](C)[N@@H+](CC)CC[C@H](C)F ZINC001156319194 1380557941 /nfs/dbraw/zinc/55/79/41/1380557941.db2.gz PUGQJGXLHOIBSX-ZWKOTPCHSA-N 2 1 345.547 3.463 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428513 1380574871 /nfs/dbraw/zinc/57/48/71/1380574871.db2.gz OVQOOTWQOJHLEX-OAHLLOKOSA-N 2 1 334.508 3.024 20 0 EGADMP C[NH+]1CCC(Oc2ccnc(N3C(C)(C)CC([NH3+])CC3(C)C)c2)CC1 ZINC001156774802 1380633064 /nfs/dbraw/zinc/63/30/64/1380633064.db2.gz DBGHZYDTDHOFJD-UHFFFAOYSA-N 2 1 346.519 3.039 20 0 EGADMP CC[N@H+]1CCCC[C@H]1c1ccc(NCC[NH+]2CCSCC2)nc1 ZINC001157050242 1380761262 /nfs/dbraw/zinc/76/12/62/1380761262.db2.gz MWJRXYJXJNIQOX-KRWDZBQOSA-N 2 1 334.533 3.089 20 0 EGADMP CC[N@@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092223 1380774152 /nfs/dbraw/zinc/77/41/52/1380774152.db2.gz NRSMHPPPGHBKAP-QGZVFWFLSA-N 2 1 349.494 3.028 20 0 EGADMP CC[N@@H+](CC/C=C/c1ccccc1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157112998 1380779250 /nfs/dbraw/zinc/77/92/50/1380779250.db2.gz FNPCQWZJCTWAQR-NRJHKNTJSA-N 2 1 345.531 3.257 20 0 EGADMP CC[NH+](CC/C=C/c1ccccc1)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157112998 1380779251 /nfs/dbraw/zinc/77/92/51/1380779251.db2.gz FNPCQWZJCTWAQR-NRJHKNTJSA-N 2 1 345.531 3.257 20 0 EGADMP CC[NH+](CC/C=C/c1ccccc1)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157112998 1380779254 /nfs/dbraw/zinc/77/92/54/1380779254.db2.gz FNPCQWZJCTWAQR-NRJHKNTJSA-N 2 1 345.531 3.257 20 0 EGADMP c1cn(-c2cc[nH+]c(N(Cc3ccccc3)[C@@H]3CCC[NH2+]C3)c2)cn1 ZINC001157431514 1380888634 /nfs/dbraw/zinc/88/86/34/1380888634.db2.gz CQIZHAKSVWOQKG-LJQANCHMSA-N 2 1 333.439 3.026 20 0 EGADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)C ZINC001158029119 1381107052 /nfs/dbraw/zinc/10/70/52/1381107052.db2.gz FPRBLDMMWZQVTF-QZTJIDSGSA-N 2 1 343.531 3.025 20 0 EGADMP COc1ccc(CN(c2[nH+]cc(C)cc2N)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158158933 1381145589 /nfs/dbraw/zinc/14/55/89/1381145589.db2.gz WYJVWINDKJMWSK-QAQDUYKDSA-N 2 1 340.471 3.257 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)C[C@@H](C)CC(C)C ZINC001158227778 1381167466 /nfs/dbraw/zinc/16/74/66/1381167466.db2.gz PEHDTCCEXWAZCE-PKOBYXMFSA-N 2 1 348.535 3.187 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@@H](C)CC(C)C ZINC001158227778 1381167471 /nfs/dbraw/zinc/16/74/71/1381167471.db2.gz PEHDTCCEXWAZCE-PKOBYXMFSA-N 2 1 348.535 3.187 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001158290131 1381186667 /nfs/dbraw/zinc/18/66/67/1381186667.db2.gz YSFKGDICWYBUNT-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CC2)CCCCC1 ZINC001158289587 1381186675 /nfs/dbraw/zinc/18/66/75/1381186675.db2.gz IOCLVTGRQCUCAH-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-n2ncc3c2cccc3C[NH3+])nc1 ZINC001158312244 1381195945 /nfs/dbraw/zinc/19/59/45/1381195945.db2.gz BJTXHHSQYSMELX-GOSISDBHSA-N 2 1 335.455 3.426 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001158353908 1381213043 /nfs/dbraw/zinc/21/30/43/1381213043.db2.gz ACKFJGDKPYZHFA-QGZVFWFLSA-N 2 1 348.535 3.463 20 0 EGADMP C[C@H](c1ccccc1F)[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158437844 1381246573 /nfs/dbraw/zinc/24/65/73/1381246573.db2.gz GLNLOIJBXUOHQI-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001158491078 1381265966 /nfs/dbraw/zinc/26/59/66/1381265966.db2.gz IBYWLXJXWWIDHO-MSOLQXFVSA-N 2 1 325.541 3.220 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC001158704088 1381358404 /nfs/dbraw/zinc/35/84/04/1381358404.db2.gz BALBZRFQVWEBSD-LJQANCHMSA-N 2 1 335.536 3.142 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC001158704088 1381358409 /nfs/dbraw/zinc/35/84/09/1381358409.db2.gz BALBZRFQVWEBSD-LJQANCHMSA-N 2 1 335.536 3.142 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC001158704088 1381358416 /nfs/dbraw/zinc/35/84/16/1381358416.db2.gz BALBZRFQVWEBSD-LJQANCHMSA-N 2 1 335.536 3.142 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)Cc1ccccc1 ZINC001158773328 1381393642 /nfs/dbraw/zinc/39/36/42/1381393642.db2.gz FPMXRDXFIJLKTG-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccccc1 ZINC001158773328 1381393649 /nfs/dbraw/zinc/39/36/49/1381393649.db2.gz FPMXRDXFIJLKTG-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccccc1 ZINC001158773328 1381393652 /nfs/dbraw/zinc/39/36/52/1381393652.db2.gz FPMXRDXFIJLKTG-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001158909097 1381458702 /nfs/dbraw/zinc/45/87/02/1381458702.db2.gz IAMIECDVSLNLSE-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001158949573 1381481512 /nfs/dbraw/zinc/48/15/12/1381481512.db2.gz QGOZVXUETAOYDP-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1 ZINC001328413404 1388740397 /nfs/dbraw/zinc/74/03/97/1388740397.db2.gz NGWSUALKKXNOFC-DLBZAZTESA-N 2 1 333.520 3.210 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001159335176 1381767935 /nfs/dbraw/zinc/76/79/35/1381767935.db2.gz UHKUKUXVQHOINJ-WOJBJXKFSA-N 2 1 343.515 3.034 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001159335028 1381767957 /nfs/dbraw/zinc/76/79/57/1381767957.db2.gz PCIZGUGXFHSSRX-FQEVSTJZSA-N 2 1 343.515 3.034 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC001159335175 1381768197 /nfs/dbraw/zinc/76/81/97/1381768197.db2.gz UHKUKUXVQHOINJ-VQTJNVASSA-N 2 1 343.515 3.034 20 0 EGADMP Cc1[nH+]c2ccc(Br)cn2c1NC1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001159372343 1381779954 /nfs/dbraw/zinc/77/99/54/1381779954.db2.gz VLOPRNZSTWZESN-NEPJUHHUSA-N 2 1 333.233 3.225 20 0 EGADMP c1ccc(C[N@H+]2CCC=C(Nc3cccc(N4CC[NH2+]CC4)c3)C2)cc1 ZINC001159856161 1381921002 /nfs/dbraw/zinc/92/10/02/1381921002.db2.gz NCWXRVZWNHHTCJ-UHFFFAOYSA-N 2 1 348.494 3.298 20 0 EGADMP Cc1cc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cs1 ZINC001159910310 1381934302 /nfs/dbraw/zinc/93/43/02/1381934302.db2.gz PYJRXQZAROODPR-GOSISDBHSA-N 2 1 349.544 3.059 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]ccn21)c1ccccc1 ZINC001159917551 1381936557 /nfs/dbraw/zinc/93/65/57/1381936557.db2.gz ZGKMORIOBBZKOD-ROUUACIJSA-N 2 1 340.471 3.008 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CC(C)C2)CC1 ZINC001160121325 1382004099 /nfs/dbraw/zinc/00/40/99/1382004099.db2.gz WWXIZFNSAFNBPZ-LYBXBRPPSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC2CC(C)C2)CC1 ZINC001160121325 1382004101 /nfs/dbraw/zinc/00/41/01/1382004101.db2.gz WWXIZFNSAFNBPZ-LYBXBRPPSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC2CC(C)C2)CC1 ZINC001160121325 1382004107 /nfs/dbraw/zinc/00/41/07/1382004107.db2.gz WWXIZFNSAFNBPZ-LYBXBRPPSA-N 2 1 347.547 3.044 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1c(F)cccc1OC1CC[NH2+]CC1 ZINC001160149576 1382016471 /nfs/dbraw/zinc/01/64/71/1382016471.db2.gz QCGPUPNAAUPADG-UHFFFAOYSA-N 2 1 344.434 3.470 20 0 EGADMP CCCC[N@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169338 1382022899 /nfs/dbraw/zinc/02/28/99/1382022899.db2.gz QAKYLYMFVPJVPV-QGZVFWFLSA-N 2 1 346.519 3.335 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169338 1382022906 /nfs/dbraw/zinc/02/29/06/1382022906.db2.gz QAKYLYMFVPJVPV-QGZVFWFLSA-N 2 1 346.519 3.335 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001160286175 1382062390 /nfs/dbraw/zinc/06/23/90/1382062390.db2.gz OLEWYSHXDRTAII-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001160286175 1382062394 /nfs/dbraw/zinc/06/23/94/1382062394.db2.gz OLEWYSHXDRTAII-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001160286175 1382062402 /nfs/dbraw/zinc/06/24/02/1382062402.db2.gz OLEWYSHXDRTAII-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353049 1382081455 /nfs/dbraw/zinc/08/14/55/1382081455.db2.gz OKSKHHLVPLYPSU-AZUAARDMSA-N 2 1 349.563 3.149 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160353049 1382081460 /nfs/dbraw/zinc/08/14/60/1382081460.db2.gz OKSKHHLVPLYPSU-AZUAARDMSA-N 2 1 349.563 3.149 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001160353049 1382081465 /nfs/dbraw/zinc/08/14/65/1382081465.db2.gz OKSKHHLVPLYPSU-AZUAARDMSA-N 2 1 349.563 3.149 20 0 EGADMP CC[C@H](C(=O)NCCC1=CC[N@H+]([C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001160479428 1382119125 /nfs/dbraw/zinc/11/91/25/1382119125.db2.gz VEEVWPKMFKOFQR-FXAWDEMLSA-N 2 1 343.515 3.226 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001160682817 1382169525 /nfs/dbraw/zinc/16/95/25/1382169525.db2.gz IFOGTGJDUDNJRI-UHFFFAOYSA-N 2 1 338.455 3.053 20 0 EGADMP COc1cc2cc[nH+]c(N[C@H]3CC[NH2+]C[C@@H]3C(F)(F)F)c2cc1F ZINC001160741702 1382183349 /nfs/dbraw/zinc/18/33/49/1382183349.db2.gz GCQSXBGGUQXBHX-AAEUAGOBSA-N 2 1 343.324 3.335 20 0 EGADMP COc1ccc2c[nH+]c(N[C@@H]3CC[NH2+]C[C@@H]3C(F)(F)F)cc2c1 ZINC001160742749 1382184076 /nfs/dbraw/zinc/18/40/76/1382184076.db2.gz VQVABJVLWMRXQU-UONOGXRCSA-N 2 1 325.334 3.196 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160788045 1382196449 /nfs/dbraw/zinc/19/64/49/1382196449.db2.gz WRNFKJVOHGUTNK-PXNSSMCTSA-N 2 1 347.547 3.045 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160804199 1382201421 /nfs/dbraw/zinc/20/14/21/1382201421.db2.gz FCCXJOOWXTYIBV-UHFFFAOYSA-N 2 1 335.536 3.189 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)C1 ZINC001292812130 1382215857 /nfs/dbraw/zinc/21/58/57/1382215857.db2.gz WEDZFDQBCWBGQU-HXUWFJFHSA-N 2 1 345.531 3.007 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001160868260 1382220044 /nfs/dbraw/zinc/22/00/44/1382220044.db2.gz LEXCJIOOTOXPBT-VQTJNVASSA-N 2 1 349.563 3.460 20 0 EGADMP CCC(CC)[NH+]1CCC(Nc2[nH+]cnc3c2ccn3CCOC)CC1 ZINC001161099406 1382296057 /nfs/dbraw/zinc/29/60/57/1382296057.db2.gz VTKGMFJEVRLBNQ-UHFFFAOYSA-N 2 1 345.491 3.143 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC2=CC[NH+](CC3CCCCC3)CC2)C1 ZINC001161213575 1382343578 /nfs/dbraw/zinc/34/35/78/1382343578.db2.gz KZHVMHHLEUPMMO-GOSISDBHSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NCCC2=CC[N@H+](CC3CCCCC3)CC2)C1 ZINC001161213575 1382343581 /nfs/dbraw/zinc/34/35/81/1382343581.db2.gz KZHVMHHLEUPMMO-GOSISDBHSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NCCC2=CC[N@@H+](CC3CCCCC3)CC2)C1 ZINC001161213575 1382343584 /nfs/dbraw/zinc/34/35/84/1382343584.db2.gz KZHVMHHLEUPMMO-GOSISDBHSA-N 2 1 347.547 3.047 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383369 1382391783 /nfs/dbraw/zinc/39/17/83/1382391783.db2.gz UXKSGIKEDIHCII-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)=CC[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465312 1382417130 /nfs/dbraw/zinc/41/71/30/1382417130.db2.gz IENNMPAYDZCFDQ-UHFFFAOYSA-N 2 1 344.503 3.076 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465312 1382417132 /nfs/dbraw/zinc/41/71/32/1382417132.db2.gz IENNMPAYDZCFDQ-UHFFFAOYSA-N 2 1 344.503 3.076 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001161644944 1382468324 /nfs/dbraw/zinc/46/83/24/1382468324.db2.gz VRZWGFVQVHVPGZ-ICSRJNTNSA-N 2 1 345.531 3.272 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161705494 1382485681 /nfs/dbraw/zinc/48/56/81/1382485681.db2.gz UJNZRNLXFFQOSL-WOJBJXKFSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1=CC[NH+](CCCC2CCCC2)CC1 ZINC001161754823 1382496151 /nfs/dbraw/zinc/49/61/51/1382496151.db2.gz CEWYHODQNQJSHV-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@H+](CCCC2CCCC2)CC1 ZINC001161754823 1382496153 /nfs/dbraw/zinc/49/61/53/1382496153.db2.gz CEWYHODQNQJSHV-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@@H+](CCCC2CCCC2)CC1 ZINC001161754823 1382496156 /nfs/dbraw/zinc/49/61/56/1382496156.db2.gz CEWYHODQNQJSHV-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CC1CCC(C[N@@H+]2CC=C(CCNC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001161879482 1382537947 /nfs/dbraw/zinc/53/79/47/1382537947.db2.gz NIBMFOAYSFSMNK-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161930593 1382558000 /nfs/dbraw/zinc/55/80/00/1382558000.db2.gz CLGVUXWSYCDUCM-GOSISDBHSA-N 2 1 335.536 3.047 20 0 EGADMP CCCc1cc(NC2(c3cccc(OC)c3)CC[NH2+]CC2)nc(C)[nH+]1 ZINC001161996701 1382593883 /nfs/dbraw/zinc/59/38/83/1382593883.db2.gz SFJJNZZGCOYYPB-UHFFFAOYSA-N 2 1 340.471 3.437 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](Nc2[nH+]cnc3c2ccn3Cc2ccccc2F)C1 ZINC001162391460 1382746120 /nfs/dbraw/zinc/74/61/20/1382746120.db2.gz MPNXXNWIFOSEQK-CABCVRRESA-N 2 1 339.418 3.301 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(CC[NH2+]CC(C)C)CCc1ccccc1 ZINC001162987797 1382939170 /nfs/dbraw/zinc/93/91/70/1382939170.db2.gz XZADUUYOOBEOAY-UHFFFAOYSA-N 2 1 347.547 3.035 20 0 EGADMP Cc1ccc2c(c1)[C@H](Nc1cc3c(c[nH+]1)CC(=O)N3)CC21CC[NH2+]CC1 ZINC001163023948 1382949960 /nfs/dbraw/zinc/94/99/60/1382949960.db2.gz RSHDKKKKIXZHIX-GOSISDBHSA-N 2 1 348.450 3.063 20 0 EGADMP FC(F)(F)[C@@H](Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1)c1cccnc1 ZINC001164183354 1383163985 /nfs/dbraw/zinc/16/39/85/1383163985.db2.gz HEHZVPLTZAESSL-INIZCTEOSA-N 2 1 347.344 3.132 20 0 EGADMP CCN(CC)c1ccc(C)c(NCC2([NH+](C)C)CC[NH+](C)CC2)c1 ZINC001164217012 1383167131 /nfs/dbraw/zinc/16/71/31/1383167131.db2.gz PSQZGOIRAHVMRX-UHFFFAOYSA-N 2 1 332.536 3.279 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]Cc2ccc(C)cc2C)C1 ZINC001164456657 1383188739 /nfs/dbraw/zinc/18/87/39/1383188739.db2.gz WNEHIYBHMDDYRQ-FQEVSTJZSA-N 2 1 345.531 3.021 20 0 EGADMP O=C(NCCC[NH2+]CCCCCF)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164500974 1383193986 /nfs/dbraw/zinc/19/39/86/1383193986.db2.gz MNNCIKIOMKQCBF-SFHVURJKSA-N 2 1 341.515 3.019 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC001164577917 1383201427 /nfs/dbraw/zinc/20/14/27/1383201427.db2.gz WYXOOZWHMKJINV-VDZJLULYSA-N 2 1 349.494 3.103 20 0 EGADMP C[N@@H+](Cc1ccc(N2CC3(CC[NH2+]CC3)c3ccccc32)nc1)C1CC1 ZINC001165144155 1383236761 /nfs/dbraw/zinc/23/67/61/1383236761.db2.gz GUEDKBMOTQAYSU-UHFFFAOYSA-N 2 1 348.494 3.449 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001328750276 1388841562 /nfs/dbraw/zinc/84/15/62/1388841562.db2.gz RADMZOUIFWSHKV-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP C[N@@H+]1CCC[C@H](CCNc2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC001165271994 1383263402 /nfs/dbraw/zinc/26/34/02/1383263402.db2.gz FBDADNJBVDODOD-MRXNPFEDSA-N 2 1 337.471 3.141 20 0 EGADMP C[N@H+]1CCC[C@H](CCNc2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC001165271994 1383263404 /nfs/dbraw/zinc/26/34/04/1383263404.db2.gz FBDADNJBVDODOD-MRXNPFEDSA-N 2 1 337.471 3.141 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001165334093 1383275927 /nfs/dbraw/zinc/27/59/27/1383275927.db2.gz VAXJVTFCVUDJTI-DUMMIQTOSA-N 2 1 335.536 3.093 20 0 EGADMP CCc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CCC[NH+](C)C)cc1 ZINC001328766143 1388851479 /nfs/dbraw/zinc/85/14/79/1388851479.db2.gz UAEPKZGHDTVQPS-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001328790174 1388866226 /nfs/dbraw/zinc/86/62/26/1388866226.db2.gz LCXFJHAAOHJWTM-SFHVURJKSA-N 2 1 346.519 3.305 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001328790174 1388866231 /nfs/dbraw/zinc/86/62/31/1388866231.db2.gz LCXFJHAAOHJWTM-SFHVURJKSA-N 2 1 346.519 3.305 20 0 EGADMP CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385546 1383619212 /nfs/dbraw/zinc/61/92/12/1383619212.db2.gz IJZQQQUXMPWJEO-ZWKOTPCHSA-N 2 1 337.552 3.172 20 0 EGADMP C[C@H](C(=O)Nc1c[nH+]ccc1Nc1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001300171452 1383649732 /nfs/dbraw/zinc/64/97/32/1383649732.db2.gz JNEYLYLSRSWHOA-OWCLPIDISA-N 2 1 338.455 3.447 20 0 EGADMP C[C@H](C(=O)Nc1c[nH+]ccc1Nc1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001300171452 1383649734 /nfs/dbraw/zinc/64/97/34/1383649734.db2.gz JNEYLYLSRSWHOA-OWCLPIDISA-N 2 1 338.455 3.447 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc(F)ccc2C)C1 ZINC001167511926 1383655309 /nfs/dbraw/zinc/65/53/09/1383655309.db2.gz DIKLNUVXOGVMBF-INIZCTEOSA-N 2 1 335.467 3.126 20 0 EGADMP CCc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001167636322 1383695128 /nfs/dbraw/zinc/69/51/28/1383695128.db2.gz SFYHNZZNXGIJQD-FQEVSTJZSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC001167636588 1383695253 /nfs/dbraw/zinc/69/52/53/1383695253.db2.gz VSVTXPLCCJHCGO-VQIMIIECSA-N 2 1 349.494 3.246 20 0 EGADMP CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001167694240 1383712731 /nfs/dbraw/zinc/71/27/31/1383712731.db2.gz HONZXNOEKCSBCN-GOSISDBHSA-N 2 1 337.552 3.317 20 0 EGADMP CC[N@H+]1CC=C(c2cnc(NCc3ccc(N)[nH+]c3C)c(C)c2)CC1 ZINC001167784669 1383740841 /nfs/dbraw/zinc/74/08/41/1383740841.db2.gz AIQZLUHEIIMHQH-UHFFFAOYSA-N 2 1 337.471 3.397 20 0 EGADMP CC[N@@H+]1CC=C(c2cnc(NCc3ccc(N)[nH+]c3C)c(C)c2)CC1 ZINC001167784669 1383740843 /nfs/dbraw/zinc/74/08/43/1383740843.db2.gz AIQZLUHEIIMHQH-UHFFFAOYSA-N 2 1 337.471 3.397 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC001167824985 1383749693 /nfs/dbraw/zinc/74/96/93/1383749693.db2.gz POLHDMRIIHHTDD-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](Oc2cccc(OC)n2)C1 ZINC001167833764 1383753216 /nfs/dbraw/zinc/75/32/16/1383753216.db2.gz DRBQENJRQAHYQG-IAGOWNOFSA-N 2 1 335.492 3.054 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](Oc2cc(OC)ccn2)C1 ZINC001167833665 1383753373 /nfs/dbraw/zinc/75/33/73/1383753373.db2.gz CXPNKCWYWCQSLM-SJLPKXTDSA-N 2 1 335.492 3.054 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](Oc2ncncc2C)C1 ZINC001167833895 1383753429 /nfs/dbraw/zinc/75/34/29/1383753429.db2.gz FLLFQAHLWJTNRK-ROUUACIJSA-N 2 1 334.508 3.139 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001167842806 1383756321 /nfs/dbraw/zinc/75/63/21/1383756321.db2.gz YYOAMXMNOAELJX-HOTGVXAUSA-N 2 1 327.513 3.396 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001167842806 1383756324 /nfs/dbraw/zinc/75/63/24/1383756324.db2.gz YYOAMXMNOAELJX-HOTGVXAUSA-N 2 1 327.513 3.396 20 0 EGADMP COCCc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167970819 1383782876 /nfs/dbraw/zinc/78/28/76/1383782876.db2.gz NUYWIWIPCSLTQF-SEJPIABJSA-N 2 1 328.500 3.371 20 0 EGADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cc2ccccc2o1 ZINC001167981923 1383786758 /nfs/dbraw/zinc/78/67/58/1383786758.db2.gz PKPPKNUQZOPBJH-IPQPSQTFSA-N 2 1 340.467 3.461 20 0 EGADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cc2ccccc2o1 ZINC001167981923 1383786765 /nfs/dbraw/zinc/78/67/65/1383786765.db2.gz PKPPKNUQZOPBJH-IPQPSQTFSA-N 2 1 340.467 3.461 20 0 EGADMP FC[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]1C(F)(F)F ZINC001167983814 1383787604 /nfs/dbraw/zinc/78/76/04/1383787604.db2.gz IMLSRDNXYXPSSR-WOFIAXNJSA-N 2 1 334.401 3.472 20 0 EGADMP FC[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@H]1C(F)(F)F ZINC001167983814 1383787607 /nfs/dbraw/zinc/78/76/07/1383787607.db2.gz IMLSRDNXYXPSSR-WOFIAXNJSA-N 2 1 334.401 3.472 20 0 EGADMP FC[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H]1C(F)(F)F ZINC001167983814 1383787610 /nfs/dbraw/zinc/78/76/10/1383787610.db2.gz IMLSRDNXYXPSSR-WOFIAXNJSA-N 2 1 334.401 3.472 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167995488 1383792135 /nfs/dbraw/zinc/79/21/35/1383792135.db2.gz HIIOKCALRAHXMN-WCRBZPEASA-N 3 1 333.564 3.444 20 0 EGADMP CC(C)[NH+]1CCC(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995488 1383792137 /nfs/dbraw/zinc/79/21/37/1383792137.db2.gz HIIOKCALRAHXMN-WCRBZPEASA-N 3 1 333.564 3.444 20 0 EGADMP CC(C)[NH+]1CCC(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995488 1383792139 /nfs/dbraw/zinc/79/21/39/1383792139.db2.gz HIIOKCALRAHXMN-WCRBZPEASA-N 3 1 333.564 3.444 20 0 EGADMP CC(=O)N1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168008729 1383795617 /nfs/dbraw/zinc/79/56/17/1383795617.db2.gz FXBPFPBJOAOOPA-JWWGGVBKSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H]1CC([NH2+]C2(C(N)=O)CCCCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168011761 1383796949 /nfs/dbraw/zinc/79/69/49/1383796949.db2.gz SBMGODIBPDVNBV-IAGOWNOFSA-N 2 1 343.515 3.206 20 0 EGADMP COC(=O)C1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168048544 1383804617 /nfs/dbraw/zinc/80/46/17/1383804617.db2.gz WZTWFHAOWXKTOO-XEMDLRDOSA-N 2 1 344.499 3.313 20 0 EGADMP C[C@@H]1CC([N@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056635 1383806062 /nfs/dbraw/zinc/80/60/62/1383806062.db2.gz HEVYBKKAMWHBGH-HROGELHOSA-N 2 1 341.543 3.454 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CCO1 ZINC001168092099 1383814687 /nfs/dbraw/zinc/81/46/87/1383814687.db2.gz PICQBFVTYARIKG-FKFZYXFFSA-N 2 1 334.463 3.130 20 0 EGADMP C[C@H]1C[C@@H]([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)CCO1 ZINC001168118134 1383821193 /nfs/dbraw/zinc/82/11/93/1383821193.db2.gz OOIGERQIXRBEON-HKUYNNGSSA-N 2 1 343.515 3.326 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NCCC2(C[NH2+]CCC3CCCCCC3)CC2)C1 ZINC001168136647 1383824508 /nfs/dbraw/zinc/82/45/08/1383824508.db2.gz JOGDQFBONJNTPX-IBGZPJMESA-N 2 1 349.563 3.175 20 0 EGADMP FC(F)(F)OCCNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001168167653 1383832656 /nfs/dbraw/zinc/83/26/56/1383832656.db2.gz ZHHZCBFKSODJBE-CYBMUJFWSA-N 2 1 342.365 3.299 20 0 EGADMP CC1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)CC1 ZINC001168217497 1383846266 /nfs/dbraw/zinc/84/62/66/1383846266.db2.gz NNBYXWOUQHQKTH-BCKAPOECSA-N 2 1 343.515 3.183 20 0 EGADMP CC1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)CC1 ZINC001168217497 1383846276 /nfs/dbraw/zinc/84/62/76/1383846276.db2.gz NNBYXWOUQHQKTH-BCKAPOECSA-N 2 1 343.515 3.183 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168329183 1383873921 /nfs/dbraw/zinc/87/39/21/1383873921.db2.gz OVVBUXLLGBUTGK-VXLLPVPCSA-N 2 1 339.524 3.237 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001168335255 1383876131 /nfs/dbraw/zinc/87/61/31/1383876131.db2.gz DUDYPBZSLBVYRV-XFHJGTJQSA-N 2 1 335.536 3.093 20 0 EGADMP OCC[NH+]1CCC([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC001168337314 1383876907 /nfs/dbraw/zinc/87/69/07/1383876907.db2.gz LTQBMUPYSXXNSG-UHFFFAOYSA-N 2 1 336.907 3.413 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001168596015 1383944872 /nfs/dbraw/zinc/94/48/72/1383944872.db2.gz QFAZMHLYAPINDB-UHFFFAOYSA-N 2 1 347.547 3.411 20 0 EGADMP COC(=O)C1(C)CCC([NH2+]C2CCN(c3[nH+]cccc3C)CC2)CC1 ZINC001168759063 1383994073 /nfs/dbraw/zinc/99/40/73/1383994073.db2.gz MHWAALAPZFWRER-UHFFFAOYSA-N 2 1 345.487 3.070 20 0 EGADMP COC(=O)C1(C)CCC([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001168762580 1383994900 /nfs/dbraw/zinc/99/49/00/1383994900.db2.gz UTMHGAKWDZGTHS-FDYSRKEFSA-N 2 1 336.520 3.353 20 0 EGADMP COC(=O)C1(C)CCC([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001168762580 1383994903 /nfs/dbraw/zinc/99/49/03/1383994903.db2.gz UTMHGAKWDZGTHS-FDYSRKEFSA-N 2 1 336.520 3.353 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(-n2cnc3ccc(C[NH3+])cc32)nc1 ZINC001168842573 1384031418 /nfs/dbraw/zinc/03/14/18/1384031418.db2.gz XSBYAOKGUXCKTG-HNNXBMFYSA-N 2 1 335.455 3.254 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]31)C2 ZINC001169090281 1384105240 /nfs/dbraw/zinc/10/52/40/1384105240.db2.gz JFMDVECBTJYIQY-ZOJFBHTKSA-N 2 1 339.527 3.112 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001169090281 1384105241 /nfs/dbraw/zinc/10/52/41/1384105241.db2.gz JFMDVECBTJYIQY-ZOJFBHTKSA-N 2 1 339.527 3.112 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001169090281 1384105244 /nfs/dbraw/zinc/10/52/44/1384105244.db2.gz JFMDVECBTJYIQY-ZOJFBHTKSA-N 2 1 339.527 3.112 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]31)C2 ZINC001169090281 1384105246 /nfs/dbraw/zinc/10/52/46/1384105246.db2.gz JFMDVECBTJYIQY-ZOJFBHTKSA-N 3 1 339.527 3.112 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]31)C2 ZINC001169090281 1384105250 /nfs/dbraw/zinc/10/52/50/1384105250.db2.gz JFMDVECBTJYIQY-ZOJFBHTKSA-N 3 1 339.527 3.112 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001169090281 1384105252 /nfs/dbraw/zinc/10/52/52/1384105252.db2.gz JFMDVECBTJYIQY-ZOJFBHTKSA-N 3 1 339.527 3.112 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001169090281 1384105255 /nfs/dbraw/zinc/10/52/55/1384105255.db2.gz JFMDVECBTJYIQY-ZOJFBHTKSA-N 3 1 339.527 3.112 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CC3(CC(NC(=O)OC(C)(C)C)C3)C1)C2 ZINC001169090228 1384105423 /nfs/dbraw/zinc/10/54/23/1384105423.db2.gz IVBFRBKJRBLCPV-HLMMBEFUSA-N 2 1 349.519 3.037 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC[C@@H]1CCc3ccc4c(c31)CCO4)C2 ZINC001169100462 1384107524 /nfs/dbraw/zinc/10/75/24/1384107524.db2.gz JJKQLMXZYFQZEE-XLAORIBOSA-N 2 1 326.484 3.256 20 0 EGADMP COC(=O)CCC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124451 1384110363 /nfs/dbraw/zinc/11/03/63/1384110363.db2.gz CTYHTNRPIARVML-REPLKXPHSA-N 2 1 330.472 3.067 20 0 EGADMP COC(=O)CCC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124451 1384110365 /nfs/dbraw/zinc/11/03/65/1384110365.db2.gz CTYHTNRPIARVML-REPLKXPHSA-N 2 1 330.472 3.067 20 0 EGADMP COC(=O)CCC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124451 1384110366 /nfs/dbraw/zinc/11/03/66/1384110366.db2.gz CTYHTNRPIARVML-REPLKXPHSA-N 2 1 330.472 3.067 20 0 EGADMP CCOC(=O)Cc1cc[nH+]c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1C ZINC001169140634 1384112799 /nfs/dbraw/zinc/11/27/99/1384112799.db2.gz HADFRUUKZFLKIS-OXJNMPFZSA-N 2 1 347.503 3.451 20 0 EGADMP COc1ccccc1O[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169141269 1384112878 /nfs/dbraw/zinc/11/28/78/1384112878.db2.gz PHGFWMXEQPTZBO-VSZNYVQBSA-N 2 1 330.472 3.164 20 0 EGADMP COc1ccccc1O[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169141269 1384112880 /nfs/dbraw/zinc/11/28/80/1384112880.db2.gz PHGFWMXEQPTZBO-VSZNYVQBSA-N 2 1 330.472 3.164 20 0 EGADMP COc1ccccc1O[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169141269 1384112882 /nfs/dbraw/zinc/11/28/82/1384112882.db2.gz PHGFWMXEQPTZBO-VSZNYVQBSA-N 2 1 330.472 3.164 20 0 EGADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c[nH]1 ZINC001308282364 1384116140 /nfs/dbraw/zinc/11/61/40/1384116140.db2.gz JAYYOZFJLNJPKB-YOEHRIQHSA-N 2 1 347.484 3.036 20 0 EGADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c[nH]1 ZINC001308282364 1384116142 /nfs/dbraw/zinc/11/61/42/1384116142.db2.gz JAYYOZFJLNJPKB-YOEHRIQHSA-N 2 1 347.484 3.036 20 0 EGADMP COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155761 1384116610 /nfs/dbraw/zinc/11/66/10/1384116610.db2.gz UMSIKKWGURYVIK-KANFNMMFSA-N 2 1 330.472 3.065 20 0 EGADMP COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155761 1384116613 /nfs/dbraw/zinc/11/66/13/1384116613.db2.gz UMSIKKWGURYVIK-KANFNMMFSA-N 2 1 330.472 3.065 20 0 EGADMP COC(=O)C[C@H](C)[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169155761 1384116615 /nfs/dbraw/zinc/11/66/15/1384116615.db2.gz UMSIKKWGURYVIK-KANFNMMFSA-N 2 1 330.472 3.065 20 0 EGADMP COC(=O)C[C@H](C)[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169155761 1384116617 /nfs/dbraw/zinc/11/66/17/1384116617.db2.gz UMSIKKWGURYVIK-KANFNMMFSA-N 2 1 330.472 3.065 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2ncc3c2cccc3C[NH3+])nc1 ZINC001169191487 1384121261 /nfs/dbraw/zinc/12/12/61/1384121261.db2.gz GPOUWNIIUQWRQW-OAHLLOKOSA-N 2 1 335.455 3.254 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccccc2Cl)C1 ZINC001308368148 1384122330 /nfs/dbraw/zinc/12/23/30/1384122330.db2.gz PXOZAMISHKVNMW-SFHVURJKSA-N 2 1 330.859 3.196 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001308365775 1384122549 /nfs/dbraw/zinc/12/25/49/1384122549.db2.gz GMLZAXFKFIMGJN-JOCHJYFZSA-N 2 1 336.479 3.032 20 0 EGADMP CC[N@H+](C1CC[NH+](CC)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001169266178 1384129621 /nfs/dbraw/zinc/12/96/21/1384129621.db2.gz SWWSUYYKDOXEMN-KRWDZBQOSA-N 2 1 339.524 3.192 20 0 EGADMP CC[N@@H+](C1CC[NH+](CC)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001169266178 1384129623 /nfs/dbraw/zinc/12/96/23/1384129623.db2.gz SWWSUYYKDOXEMN-KRWDZBQOSA-N 2 1 339.524 3.192 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)C[C@H](CNC(=O)OC(C)(C)C)C(C)C ZINC001308745032 1384146656 /nfs/dbraw/zinc/14/66/56/1384146656.db2.gz PFSQMDBQKHEAGH-INIZCTEOSA-N 2 1 329.529 3.057 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc2nonc2c1 ZINC001308897948 1384157387 /nfs/dbraw/zinc/15/73/87/1384157387.db2.gz QZGTWQCPUQOQSK-QAPCUYQASA-N 2 1 336.439 3.081 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc2nonc2c1 ZINC001308897950 1384157526 /nfs/dbraw/zinc/15/75/26/1384157526.db2.gz QZGTWQCPUQOQSK-YJBOKZPZSA-N 2 1 336.439 3.081 20 0 EGADMP C[NH+](C)CCC(C)(C)Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001169717476 1384177674 /nfs/dbraw/zinc/17/76/74/1384177674.db2.gz ILQZXSXDSBFCMV-QGZVFWFLSA-N 3 1 343.519 3.493 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CC(C)(C)N(O)C(C)(C)C2)C1 ZINC001169974404 1384208612 /nfs/dbraw/zinc/20/86/12/1384208612.db2.gz DURZAMCAVCSDHY-IYBDPMFKSA-N 2 1 325.541 3.355 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(CC)CC ZINC001170785975 1384385465 /nfs/dbraw/zinc/38/54/65/1384385465.db2.gz YAKBTEGZHKBUBP-GOSISDBHSA-N 2 1 325.541 3.173 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170855118 1384399901 /nfs/dbraw/zinc/39/99/01/1384399901.db2.gz WGZCQAGKAZFDKZ-IAGOWNOFSA-N 2 1 337.305 3.380 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001316602040 1384469198 /nfs/dbraw/zinc/46/91/98/1384469198.db2.gz GFXQHFGLFKZRQT-ZWKOTPCHSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001316602040 1384469201 /nfs/dbraw/zinc/46/92/01/1384469201.db2.gz GFXQHFGLFKZRQT-ZWKOTPCHSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001316602040 1384469203 /nfs/dbraw/zinc/46/92/03/1384469203.db2.gz GFXQHFGLFKZRQT-ZWKOTPCHSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001171247707 1384477748 /nfs/dbraw/zinc/47/77/48/1384477748.db2.gz NLTVMIDQMPNYCG-QZTJIDSGSA-N 2 1 325.541 3.170 20 0 EGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171542788 1384557765 /nfs/dbraw/zinc/55/77/65/1384557765.db2.gz YHDAXGMPKLARKK-CQSZACIVSA-N 2 1 326.406 3.377 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171542788 1384557771 /nfs/dbraw/zinc/55/77/71/1384557771.db2.gz YHDAXGMPKLARKK-CQSZACIVSA-N 2 1 326.406 3.377 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171547487 1384559832 /nfs/dbraw/zinc/55/98/32/1384559832.db2.gz SKNZSLWYZYILTC-IEBWSBKVSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@H]1C[C@H](n2cc(CC[NH3+])c3c[nH+]ccc32)C[N@H+]1Cc1ccccc1 ZINC001171732728 1384618179 /nfs/dbraw/zinc/61/81/79/1384618179.db2.gz DHZGCIVBMDHYFB-LPHOPBHVSA-N 3 1 334.467 3.373 20 0 EGADMP C[C@H]1C[C@H](n2cc(CC[NH3+])c3cnccc32)C[N@@H+]1Cc1ccccc1 ZINC001171732728 1384618183 /nfs/dbraw/zinc/61/81/83/1384618183.db2.gz DHZGCIVBMDHYFB-LPHOPBHVSA-N 2 1 334.467 3.373 20 0 EGADMP C[C@H]1C[C@H](n2cc(CC[NH3+])c3cnccc32)C[N@H+]1Cc1ccccc1 ZINC001171732728 1384618189 /nfs/dbraw/zinc/61/81/89/1384618189.db2.gz DHZGCIVBMDHYFB-LPHOPBHVSA-N 2 1 334.467 3.373 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCCC[NH2+][C@@H](C)c1ccccc1 ZINC001171821936 1384650877 /nfs/dbraw/zinc/65/08/77/1384650877.db2.gz QLKSLVWVTXIXNG-AEFFLSMTSA-N 2 1 342.487 3.217 20 0 EGADMP CC1(C)C[C@H]([NH+]2CCCC3(C2)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC001171985822 1384703946 /nfs/dbraw/zinc/70/39/46/1384703946.db2.gz CNWZLAPTMUTFSY-LJQANCHMSA-N 2 1 344.499 3.269 20 0 EGADMP CC1(C)C[C@H]([NH+]2CCCC3(C2)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC001171985822 1384703948 /nfs/dbraw/zinc/70/39/48/1384703948.db2.gz CNWZLAPTMUTFSY-LJQANCHMSA-N 2 1 344.499 3.269 20 0 EGADMP CC1(C)C[C@H]([N@@H+]2CCCC3(C2)OCCO3)CC[NH+]1Cc1ccccc1 ZINC001171985822 1384703950 /nfs/dbraw/zinc/70/39/50/1384703950.db2.gz CNWZLAPTMUTFSY-LJQANCHMSA-N 2 1 344.499 3.269 20 0 EGADMP CC1(C)C[C@H]([N@H+]2CCCC3(C2)OCCO3)CC[NH+]1Cc1ccccc1 ZINC001171985822 1384703955 /nfs/dbraw/zinc/70/39/55/1384703955.db2.gz CNWZLAPTMUTFSY-LJQANCHMSA-N 2 1 344.499 3.269 20 0 EGADMP C[N@H+]1CC[C@@H](CN[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061638 1384715529 /nfs/dbraw/zinc/71/55/29/1384715529.db2.gz ICCWYPANLXDLSY-XSDIEEQYSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1CC[C@@H](CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172061638 1384715534 /nfs/dbraw/zinc/71/55/34/1384715534.db2.gz ICCWYPANLXDLSY-XSDIEEQYSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1CC[C@@H](CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172061638 1384715537 /nfs/dbraw/zinc/71/55/37/1384715537.db2.gz ICCWYPANLXDLSY-XSDIEEQYSA-N 2 1 327.516 3.113 20 0 EGADMP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061638 1384715540 /nfs/dbraw/zinc/71/55/40/1384715540.db2.gz ICCWYPANLXDLSY-XSDIEEQYSA-N 3 1 327.516 3.113 20 0 EGADMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061638 1384715543 /nfs/dbraw/zinc/71/55/43/1384715543.db2.gz ICCWYPANLXDLSY-XSDIEEQYSA-N 3 1 327.516 3.113 20 0 EGADMP C[NH+]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172061638 1384715546 /nfs/dbraw/zinc/71/55/46/1384715546.db2.gz ICCWYPANLXDLSY-XSDIEEQYSA-N 3 1 327.516 3.113 20 0 EGADMP C[NH+]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172061638 1384715548 /nfs/dbraw/zinc/71/55/48/1384715548.db2.gz ICCWYPANLXDLSY-XSDIEEQYSA-N 3 1 327.516 3.113 20 0 EGADMP CC1([NH3+])CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172066613 1384716709 /nfs/dbraw/zinc/71/67/09/1384716709.db2.gz ATWNBECGZFVYGQ-ACDBMABISA-N 2 1 327.516 3.385 20 0 EGADMP F[C@H]1COCC[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172071456 1384718110 /nfs/dbraw/zinc/71/81/10/1384718110.db2.gz WYSHIRRJCPEGCC-LJDSDSDDSA-N 2 1 332.463 3.289 20 0 EGADMP F[C@H]1COCC[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172071456 1384718113 /nfs/dbraw/zinc/71/81/13/1384718113.db2.gz WYSHIRRJCPEGCC-LJDSDSDDSA-N 2 1 332.463 3.289 20 0 EGADMP CN1CC[C@H]2C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4Cc3ccccc3)C[C@H]21 ZINC001172084360 1384722297 /nfs/dbraw/zinc/72/22/97/1384722297.db2.gz WVLJRJSMBYQJJO-BIRZXAFVSA-N 2 1 339.527 3.208 20 0 EGADMP CN1CC[C@H]2C[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]21 ZINC001172084360 1384722300 /nfs/dbraw/zinc/72/23/00/1384722300.db2.gz WVLJRJSMBYQJJO-BIRZXAFVSA-N 2 1 339.527 3.208 20 0 EGADMP CN1CC[C@H]2C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]21 ZINC001172084360 1384722302 /nfs/dbraw/zinc/72/23/02/1384722302.db2.gz WVLJRJSMBYQJJO-BIRZXAFVSA-N 2 1 339.527 3.208 20 0 EGADMP CN1CC[C@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@H]21 ZINC001172084360 1384722303 /nfs/dbraw/zinc/72/23/03/1384722303.db2.gz WVLJRJSMBYQJJO-BIRZXAFVSA-N 2 1 339.527 3.208 20 0 EGADMP CN1CC[C@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@H]21 ZINC001172084360 1384722306 /nfs/dbraw/zinc/72/23/06/1384722306.db2.gz WVLJRJSMBYQJJO-BIRZXAFVSA-N 2 1 339.527 3.208 20 0 EGADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172090376 1384724268 /nfs/dbraw/zinc/72/42/68/1384724268.db2.gz UYTDNRYKZRWNLG-MNVIUDHYSA-N 2 1 339.527 3.351 20 0 EGADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172090376 1384724275 /nfs/dbraw/zinc/72/42/75/1384724275.db2.gz UYTDNRYKZRWNLG-MNVIUDHYSA-N 2 1 339.527 3.351 20 0 EGADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172090376 1384724279 /nfs/dbraw/zinc/72/42/79/1384724279.db2.gz UYTDNRYKZRWNLG-MNVIUDHYSA-N 2 1 339.527 3.351 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccccc3F)CC1)C2 ZINC001172103581 1384727295 /nfs/dbraw/zinc/72/72/95/1384727295.db2.gz WAEQVSHSTIQMBX-OWZKRDHZSA-N 2 1 345.506 3.395 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccccc3F)CC1)C2 ZINC001172103581 1384727297 /nfs/dbraw/zinc/72/72/97/1384727297.db2.gz WAEQVSHSTIQMBX-OWZKRDHZSA-N 2 1 345.506 3.395 20 0 EGADMP Cc1ccc(C2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCOCC2)nc1 ZINC001172112093 1384730017 /nfs/dbraw/zinc/73/00/17/1384730017.db2.gz RMGUNOMJQMJVFF-REPLKXPHSA-N 2 1 343.515 3.043 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001172112440 1384730346 /nfs/dbraw/zinc/73/03/46/1384730346.db2.gz WWSPDSCMKXGGLU-DKUWSORSSA-N 2 1 341.543 3.298 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H]3[C@@H]1CCN3C(=O)OC(C)(C)C)C2 ZINC001172117525 1384733416 /nfs/dbraw/zinc/73/34/16/1384733416.db2.gz HLIIAQNITWTFNV-OBVSXPTNSA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H]3[C@@H]1CCN3C(=O)OC(C)(C)C)C2 ZINC001172117525 1384733418 /nfs/dbraw/zinc/73/34/18/1384733418.db2.gz HLIIAQNITWTFNV-OBVSXPTNSA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H]3[C@@H]1CCN3C(=O)OC(C)(C)C)C2 ZINC001172117525 1384733426 /nfs/dbraw/zinc/73/34/26/1384733426.db2.gz HLIIAQNITWTFNV-OBVSXPTNSA-N 2 1 349.519 3.085 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(Cc4ccccc4O3)CC1)C2 ZINC001172127943 1384735392 /nfs/dbraw/zinc/73/53/92/1384735392.db2.gz MDQDLGLQALXPPG-BWTSREIZSA-N 2 1 326.484 3.471 20 0 EGADMP COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129934 1384737347 /nfs/dbraw/zinc/73/73/47/1384737347.db2.gz MFQKEOPNGWADAK-RSPOEFSDSA-N 2 1 344.499 3.456 20 0 EGADMP COC(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129934 1384737350 /nfs/dbraw/zinc/73/73/50/1384737350.db2.gz MFQKEOPNGWADAK-RSPOEFSDSA-N 2 1 344.499 3.456 20 0 EGADMP COC(=O)C[C@@H](C)[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129934 1384737353 /nfs/dbraw/zinc/73/73/53/1384737353.db2.gz MFQKEOPNGWADAK-RSPOEFSDSA-N 2 1 344.499 3.456 20 0 EGADMP COC(=O)C[C@@H](C)[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129934 1384737356 /nfs/dbraw/zinc/73/73/56/1384737356.db2.gz MFQKEOPNGWADAK-RSPOEFSDSA-N 2 1 344.499 3.456 20 0 EGADMP COc1cccc(N(C2CC[NH2+]CC2)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172129161 1384737859 /nfs/dbraw/zinc/73/78/59/1384737859.db2.gz XFUJEHYFAAAFHR-RUYXUALKSA-N 2 1 343.515 3.269 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172225097 1384751264 /nfs/dbraw/zinc/75/12/64/1384751264.db2.gz DQMCQJQIRVSSDV-VZHSDHNVSA-N 2 1 328.500 3.444 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001316994990 1384751879 /nfs/dbraw/zinc/75/18/79/1384751879.db2.gz MVQNWDRUHGMRBJ-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP COCCC[NH+]1CCC([NH2+]C(C)(C)Cc2ccc(OC)cc2)CC1 ZINC001172248482 1384755671 /nfs/dbraw/zinc/75/56/71/1384755671.db2.gz KBCJYAJGUIIPPF-UHFFFAOYSA-N 2 1 334.504 3.107 20 0 EGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+]([C@@H]1COC(C)(C)C1)CC2 ZINC001172285946 1384760217 /nfs/dbraw/zinc/76/02/17/1384760217.db2.gz WFDQVHFXQVIGDY-IBGZPJMESA-N 2 1 343.515 3.326 20 0 EGADMP CC[C@@H](C)OCC[C@@H](C)N(c1cc(C)[nH+]c(C)n1)C1CC[NH2+]CC1 ZINC001172362679 1384777836 /nfs/dbraw/zinc/77/78/36/1384777836.db2.gz VZYJVBDURQZOEM-HZPDHXFCSA-N 2 1 334.508 3.246 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)CCOC(C)C)cc2)CC1 ZINC001172447270 1384794044 /nfs/dbraw/zinc/79/40/44/1384794044.db2.gz HQLLVZZQKRXAID-IBGZPJMESA-N 2 1 347.547 3.117 20 0 EGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@H](C)CCOCC(C)C)CC1 ZINC001172475187 1384801786 /nfs/dbraw/zinc/80/17/86/1384801786.db2.gz GEYIMJFLKFSGOH-MJGOQNOKSA-N 2 1 326.525 3.013 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@H](C)CCOCC(C)C)CC1 ZINC001172475187 1384801789 /nfs/dbraw/zinc/80/17/89/1384801789.db2.gz GEYIMJFLKFSGOH-MJGOQNOKSA-N 2 1 326.525 3.013 20 0 EGADMP c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@@H+](CC4CCOCC4)C3)C2)cc1 ZINC001172558616 1384811279 /nfs/dbraw/zinc/81/12/79/1384811279.db2.gz WSRHQHSMDKAPRA-QHAWAJNXSA-N 2 1 328.500 3.413 20 0 EGADMP c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@H+](CC4CCOCC4)C3)C2)cc1 ZINC001172558616 1384811280 /nfs/dbraw/zinc/81/12/80/1384811280.db2.gz WSRHQHSMDKAPRA-QHAWAJNXSA-N 2 1 328.500 3.413 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CCC2CCCC2)C1)[NH+](C)C ZINC001317043041 1384816941 /nfs/dbraw/zinc/81/69/41/1384816941.db2.gz NCJAAUKLOBVRGI-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC001172615720 1384820063 /nfs/dbraw/zinc/82/00/63/1384820063.db2.gz HLBZXJJVJHHPLJ-ICSRJNTNSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC001172615720 1384820069 /nfs/dbraw/zinc/82/00/69/1384820069.db2.gz HLBZXJJVJHHPLJ-ICSRJNTNSA-N 2 1 344.499 3.315 20 0 EGADMP CC(C)OC(=O)CC[C@H](C)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172753161 1384843870 /nfs/dbraw/zinc/84/38/70/1384843870.db2.gz RZQOKNKYMOVLEJ-WDSOQIARSA-N 2 1 347.503 3.274 20 0 EGADMP Cc1ccc[nH+]c1N([C@H](C)CCC(=O)OC(C)C)C1CC[NH2+]CC1 ZINC001172770437 1384848320 /nfs/dbraw/zinc/84/83/20/1384848320.db2.gz LRRBTOUWQTWCTI-MRXNPFEDSA-N 2 1 333.476 3.069 20 0 EGADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](C2CCCC2)C2CCN(C)CC2)CC1 ZINC001172804012 1384855938 /nfs/dbraw/zinc/85/59/38/1384855938.db2.gz RRXBPUUJUUUWSU-FUHWJXTLSA-N 2 1 336.520 3.447 20 0 EGADMP Cc1ccc2c(c1)C[C@H]([NH+]1CCC([N@@H+](C)C3CCOCC3)CC1)CC2 ZINC001172840918 1384864113 /nfs/dbraw/zinc/86/41/13/1384864113.db2.gz DAHNYOUTMUIPFN-JOCHJYFZSA-N 2 1 342.527 3.428 20 0 EGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001173091711 1384912398 /nfs/dbraw/zinc/91/23/98/1384912398.db2.gz UUNWGQSYVQIEJV-IOASZLSFSA-N 2 1 330.394 3.446 20 0 EGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001173091711 1384912401 /nfs/dbraw/zinc/91/24/01/1384912401.db2.gz UUNWGQSYVQIEJV-IOASZLSFSA-N 2 1 330.394 3.446 20 0 EGADMP CCCOC1CCC(n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)CC1 ZINC001173096645 1384913260 /nfs/dbraw/zinc/91/32/60/1384913260.db2.gz ABQSIUBEIZULLX-UHFFFAOYSA-N 2 1 348.535 3.279 20 0 EGADMP CC[C@@H]1[N@H+](C2CCC([NH+](CC)CC)CC2)CCC[C@]12CCC(=O)N2 ZINC001173109872 1384916921 /nfs/dbraw/zinc/91/69/21/1384916921.db2.gz DUUUPSXGUKJBNO-BZWMRVRASA-N 2 1 335.536 3.163 20 0 EGADMP COc1cccc2c1C[C@@H]([N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C)CO2 ZINC001173163385 1384928348 /nfs/dbraw/zinc/92/83/48/1384928348.db2.gz DHTLMGQLINWHCB-RCCFBDPRSA-N 2 1 344.499 3.338 20 0 EGADMP COc1cccc2c1C[C@@H]([NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C)CO2 ZINC001173163385 1384928350 /nfs/dbraw/zinc/92/83/50/1384928350.db2.gz DHTLMGQLINWHCB-RCCFBDPRSA-N 2 1 344.499 3.338 20 0 EGADMP COc1cccc2c1C[C@@H]([NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C)CO2 ZINC001173163385 1384928352 /nfs/dbraw/zinc/92/83/52/1384928352.db2.gz DHTLMGQLINWHCB-RCCFBDPRSA-N 2 1 344.499 3.338 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CC[C@@H](CC)C3)CC2)C1 ZINC001173282762 1384951319 /nfs/dbraw/zinc/95/13/19/1384951319.db2.gz QMKLIWGJJCTOSJ-ZHALLVOQSA-N 2 1 336.520 3.305 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CC[C@@H](CC)C3)CC2)C1 ZINC001173282762 1384951321 /nfs/dbraw/zinc/95/13/21/1384951321.db2.gz QMKLIWGJJCTOSJ-ZHALLVOQSA-N 2 1 336.520 3.305 20 0 EGADMP CCSC[C@@H](C)[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001173301185 1384953069 /nfs/dbraw/zinc/95/30/69/1384953069.db2.gz KRQOIHPOGCJSDL-MRXNPFEDSA-N 2 1 338.517 3.088 20 0 EGADMP CCSC[C@@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001173301185 1384953073 /nfs/dbraw/zinc/95/30/73/1384953073.db2.gz KRQOIHPOGCJSDL-MRXNPFEDSA-N 2 1 338.517 3.088 20 0 EGADMP CC[N@H+]1CC[C@H](N2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)C1 ZINC001173364927 1384964615 /nfs/dbraw/zinc/96/46/15/1384964615.db2.gz ZMBNVLVABOKURD-FIRPJDEBSA-N 2 1 327.516 3.191 20 0 EGADMP CC[NH+]1CC[C@H](N2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)C1 ZINC001173364927 1384964619 /nfs/dbraw/zinc/96/46/19/1384964619.db2.gz ZMBNVLVABOKURD-FIRPJDEBSA-N 2 1 327.516 3.191 20 0 EGADMP CC[NH+]1CC[C@H](N2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)C1 ZINC001173364927 1384964622 /nfs/dbraw/zinc/96/46/22/1384964622.db2.gz ZMBNVLVABOKURD-FIRPJDEBSA-N 2 1 327.516 3.191 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCCC[NH+]2Cc2ccc(OC)cc2)C1 ZINC001173367245 1384965718 /nfs/dbraw/zinc/96/57/18/1384965718.db2.gz FJALPGIGYMDNEG-PMACEKPBSA-N 2 1 345.531 3.076 20 0 EGADMP CC[NH+]1CC[C@H](N(C)C[C@@H]2CCCC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC001173367245 1384965719 /nfs/dbraw/zinc/96/57/19/1384965719.db2.gz FJALPGIGYMDNEG-PMACEKPBSA-N 2 1 345.531 3.076 20 0 EGADMP CC[NH+]1CC[C@H](N(C)C[C@@H]2CCCC[N@H+]2Cc2ccc(OC)cc2)C1 ZINC001173367245 1384965723 /nfs/dbraw/zinc/96/57/23/1384965723.db2.gz FJALPGIGYMDNEG-PMACEKPBSA-N 2 1 345.531 3.076 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001173410542 1384967905 /nfs/dbraw/zinc/96/79/05/1384967905.db2.gz JXPTWGSOQYBLKR-QGZVFWFLSA-N 2 1 349.906 3.019 20 0 EGADMP COC(=O)CCCC[C@@H](C)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173445357 1384972126 /nfs/dbraw/zinc/97/21/26/1384972126.db2.gz YJHDILFWMNRZFO-ZHALLVOQSA-N 2 1 347.503 3.275 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173677488 1385001890 /nfs/dbraw/zinc/00/18/90/1385001890.db2.gz AIXKMYDBTDVRAM-KCYZZUKISA-N 2 1 339.524 3.093 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173677488 1385001893 /nfs/dbraw/zinc/00/18/93/1385001893.db2.gz AIXKMYDBTDVRAM-KCYZZUKISA-N 2 1 339.524 3.093 20 0 EGADMP C[C@@H]1CC(n2cc[nH+]c2CCC[NH3+])C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173680207 1385002871 /nfs/dbraw/zinc/00/28/71/1385002871.db2.gz PXWPOTYFFUBGIH-ZIAGYGMSSA-N 2 1 336.480 3.123 20 0 EGADMP C[C@H](CCCC[NH2+]CCF)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001174880384 1385164297 /nfs/dbraw/zinc/16/42/97/1385164297.db2.gz DJOFCTKAPNCCCS-SJLPKXTDSA-N 2 1 341.515 3.018 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175255832 1385230759 /nfs/dbraw/zinc/23/07/59/1385230759.db2.gz HKXAUGDWTAQQEN-IAGOWNOFSA-N 2 1 337.552 3.172 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]2CCC[C@H]2C)cc1 ZINC001175257291 1385232085 /nfs/dbraw/zinc/23/20/85/1385232085.db2.gz YJUCUHLWAKJIOW-RBUKOAKNSA-N 2 1 345.531 3.244 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175262704 1385233191 /nfs/dbraw/zinc/23/31/91/1385233191.db2.gz KDZHSRKYYRBXDF-IAGOWNOFSA-N 2 1 325.541 3.029 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175263793 1385234863 /nfs/dbraw/zinc/23/48/63/1385234863.db2.gz RINFPEMZFSKPNO-ZWKOTPCHSA-N 2 1 349.563 3.173 20 0 EGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001175272754 1385237103 /nfs/dbraw/zinc/23/71/03/1385237103.db2.gz LYOZYEVPBZYXSW-FUHWJXTLSA-N 2 1 348.535 3.209 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317520622 1385239262 /nfs/dbraw/zinc/23/92/62/1385239262.db2.gz PEFDUSXEBSCKMQ-PKOBYXMFSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001317530005 1385254465 /nfs/dbraw/zinc/25/44/65/1385254465.db2.gz RSZHBUUFNJEATC-SFHVURJKSA-N 2 1 346.519 3.025 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001317530005 1385254470 /nfs/dbraw/zinc/25/44/70/1385254470.db2.gz RSZHBUUFNJEATC-SFHVURJKSA-N 2 1 346.519 3.025 20 0 EGADMP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C[C@H](O)c2cccc(F)c2)CC1 ZINC001175353191 1385263977 /nfs/dbraw/zinc/26/39/77/1385263977.db2.gz VAXHGUSLOYSPRS-UXHICEINSA-N 2 1 334.479 3.446 20 0 EGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2C[C@H](O)c2cccc(F)c2)CC1 ZINC001175353191 1385263978 /nfs/dbraw/zinc/26/39/78/1385263978.db2.gz VAXHGUSLOYSPRS-UXHICEINSA-N 2 1 334.479 3.446 20 0 EGADMP CC(C)(C(=O)NCC[N@@H+](CC1CCCCC1)C1CC1)[NH+]1CCCCC1 ZINC001317552617 1385314152 /nfs/dbraw/zinc/31/41/52/1385314152.db2.gz LMRYHYTXWDJLOT-UHFFFAOYSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH2+]CC[C@@H](C)F ZINC001175528776 1385321947 /nfs/dbraw/zinc/32/19/47/1385321947.db2.gz LLIGSBZLPMAUAT-HZPDHXFCSA-N 2 1 340.487 3.019 20 0 EGADMP C[NH+](C)CCCOc1ccc(Nc2ccc3c(c2)C[N@H+](C)CC3)cn1 ZINC001176359564 1385563705 /nfs/dbraw/zinc/56/37/05/1385563705.db2.gz JNIADQGGTSIJRS-UHFFFAOYSA-N 2 1 340.471 3.144 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001317987712 1385602061 /nfs/dbraw/zinc/60/20/61/1385602061.db2.gz NIWPHZBIHAHVGG-SFHVURJKSA-N 2 1 348.535 3.379 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001317987712 1385602063 /nfs/dbraw/zinc/60/20/63/1385602063.db2.gz NIWPHZBIHAHVGG-SFHVURJKSA-N 2 1 348.535 3.379 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001318301292 1385645760 /nfs/dbraw/zinc/64/57/60/1385645760.db2.gz OSWBNYZIINPBQC-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@@H](C)c1ccccc1Cl ZINC001318603599 1385788069 /nfs/dbraw/zinc/78/80/69/1385788069.db2.gz QAVANQGKYVOIDI-ZFWWWQNUSA-N 2 1 348.878 3.091 20 0 EGADMP Cc1cccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1F ZINC001177104597 1385813796 /nfs/dbraw/zinc/81/37/96/1385813796.db2.gz XZMRIWFWRZCUIE-KRWDZBQOSA-N 2 1 347.503 3.274 20 0 EGADMP CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001318959336 1385897825 /nfs/dbraw/zinc/89/78/25/1385897825.db2.gz ONYATNPJLIGTOE-CADBVGFASA-N 2 1 337.552 3.170 20 0 EGADMP C[N@H+](CC(=O)NCCC[NH2+]CC1CCCCCC1)Cc1ccccc1 ZINC001177344262 1385921964 /nfs/dbraw/zinc/92/19/64/1385921964.db2.gz BQDXSAXYGUBMRX-UHFFFAOYSA-N 2 1 345.531 3.185 20 0 EGADMP C[N@@H+](CC(=O)NCCC[NH2+]CC1CCCCCC1)Cc1ccccc1 ZINC001177344262 1385921965 /nfs/dbraw/zinc/92/19/65/1385921965.db2.gz BQDXSAXYGUBMRX-UHFFFAOYSA-N 2 1 345.531 3.185 20 0 EGADMP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@@H+](C)CC ZINC001177455561 1385962809 /nfs/dbraw/zinc/96/28/09/1385962809.db2.gz CMDJRISHICASTG-UHFFFAOYSA-N 2 1 325.541 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CCC[NH2+]CC[C@H](C)F)CC1CCCC1 ZINC001177466911 1385966401 /nfs/dbraw/zinc/96/64/01/1385966401.db2.gz KGVODAVSTVGLDA-KRWDZBQOSA-N 2 1 343.531 3.075 20 0 EGADMP CC(C)[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001178490386 1386234428 /nfs/dbraw/zinc/23/44/28/1386234428.db2.gz LOTBYVVPHOIZGE-SFHVURJKSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC001178522728 1386241249 /nfs/dbraw/zinc/24/12/49/1386241249.db2.gz PCYPQSZLZTXGGN-NLWGTHIKSA-N 2 1 345.531 3.354 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2sc(N3CCCCC3)nc2C)C1 ZINC001319718930 1386267279 /nfs/dbraw/zinc/26/72/79/1386267279.db2.gz SOMLKIMXXYHBIH-INIZCTEOSA-N 2 1 336.549 3.215 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2sc(N3CCCCC3)nc2C)C1 ZINC001319718930 1386267282 /nfs/dbraw/zinc/26/72/82/1386267282.db2.gz SOMLKIMXXYHBIH-INIZCTEOSA-N 2 1 336.549 3.215 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2sc(N3CCCCC3)nc2C)C1 ZINC001319718930 1386267283 /nfs/dbraw/zinc/26/72/83/1386267283.db2.gz SOMLKIMXXYHBIH-INIZCTEOSA-N 2 1 336.549 3.215 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2sc(N3CCCCC3)nc2C)C1 ZINC001319718930 1386267285 /nfs/dbraw/zinc/26/72/85/1386267285.db2.gz SOMLKIMXXYHBIH-INIZCTEOSA-N 2 1 336.549 3.215 20 0 EGADMP CCCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001178688478 1386277804 /nfs/dbraw/zinc/27/78/04/1386277804.db2.gz JTLBFSCCNBMAAJ-SFHVURJKSA-N 2 1 325.541 3.031 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001178728724 1386290841 /nfs/dbraw/zinc/29/08/41/1386290841.db2.gz CBLXKNDPZKYTAO-ZWKOTPCHSA-N 2 1 325.541 3.173 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]([NH2+]CCC(C)C)[C@@H]1C ZINC001178735906 1386292460 /nfs/dbraw/zinc/29/24/60/1386292460.db2.gz JWGPFNREMGJUEO-IKGGRYGDSA-N 2 1 334.508 3.022 20 0 EGADMP CCC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001178828703 1386320053 /nfs/dbraw/zinc/32/00/53/1386320053.db2.gz YCYLOQMWAJJQDV-ZMBJWTFHSA-N 2 1 337.552 3.483 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]C[C@@H](F)CC)C1 ZINC001179357751 1386461903 /nfs/dbraw/zinc/46/19/03/1386461903.db2.gz KUYATKHGLTWLJI-MSOLQXFVSA-N 2 1 343.531 3.123 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179382858 1386468044 /nfs/dbraw/zinc/46/80/44/1386468044.db2.gz DEZLBCUPYCDXIE-BZSNNMDCSA-N 2 1 325.541 3.029 20 0 EGADMP CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001320072334 1386491206 /nfs/dbraw/zinc/49/12/06/1386491206.db2.gz HZVACPCTJSVQOS-WMLDXEAASA-N 2 1 339.911 3.131 20 0 EGADMP C[C@@H]([NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC001179580665 1386522220 /nfs/dbraw/zinc/52/22/20/1386522220.db2.gz LSMLIWMLRJGVNG-RTBURBONSA-N 2 1 345.531 3.498 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001179580877 1386522248 /nfs/dbraw/zinc/52/22/48/1386522248.db2.gz UHKOTRDBYWYGRO-RTBURBONSA-N 2 1 339.568 3.419 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCCCCCC[NH2+]CCC2CCCC2)C1 ZINC001179585756 1386524194 /nfs/dbraw/zinc/52/41/94/1386524194.db2.gz KUEQDDAZYRESIK-GOSISDBHSA-N 2 1 337.552 3.175 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC[C@@H](C)F ZINC001179746081 1386570348 /nfs/dbraw/zinc/57/03/48/1386570348.db2.gz NZFODLISTGPYHP-QZTJIDSGSA-N 2 1 343.531 3.264 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001179881620 1386616809 /nfs/dbraw/zinc/61/68/09/1386616809.db2.gz HZHHXIHJLVBCHY-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP C[C@@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001320464640 1386617157 /nfs/dbraw/zinc/61/71/57/1386617157.db2.gz QMQKXMRNWPERRF-WMZOPIPTSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]CCCc1ccccc1 ZINC001180124251 1386704935 /nfs/dbraw/zinc/70/49/35/1386704935.db2.gz RTCOUWYUEWOOSM-UHFFFAOYSA-N 2 1 347.547 3.227 20 0 EGADMP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(F)cc1 ZINC001180264960 1386750537 /nfs/dbraw/zinc/75/05/37/1386750537.db2.gz LQKVCILMGNIAEI-AEFFLSMTSA-N 2 1 349.494 3.105 20 0 EGADMP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001181941764 1387079886 /nfs/dbraw/zinc/07/98/86/1387079886.db2.gz OYHYVIUSLSGQGP-NFVPIQPQSA-N 2 1 337.552 3.147 20 0 EGADMP Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)NCCCCC[NH+](C)C)C1 ZINC001182341733 1387152372 /nfs/dbraw/zinc/15/23/72/1387152372.db2.gz SLPAIUJRVHCVTM-FQEVSTJZSA-N 2 1 345.531 3.055 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@H]([NH2+]CCCC(C)C)C1 ZINC001182692860 1387207558 /nfs/dbraw/zinc/20/75/58/1387207558.db2.gz PCASLGDMSGGAIS-DLBZAZTESA-N 2 1 334.508 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H]([NH2+]CCCC(C)C)C1 ZINC001182692861 1387207965 /nfs/dbraw/zinc/20/79/65/1387207965.db2.gz PCASLGDMSGGAIS-IAGOWNOFSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC001336785651 1389169051 /nfs/dbraw/zinc/16/90/51/1389169051.db2.gz QRQQKRIJLNRAOT-CJNGLKHVSA-N 2 1 344.421 3.449 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC001330515943 1389441781 /nfs/dbraw/zinc/44/17/81/1389441781.db2.gz UPRGPZWEHJGQSV-LJQANCHMSA-N 2 1 335.536 3.164 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)Cc2c(C)cccc2C)CC1 ZINC001331058969 1389614194 /nfs/dbraw/zinc/61/41/94/1389614194.db2.gz GVAWQVYYSCDXAA-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)Cc2c(C)cccc2C)CC1 ZINC001331058969 1389614197 /nfs/dbraw/zinc/61/41/97/1389614197.db2.gz GVAWQVYYSCDXAA-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)Cc2c(C)cccc2C)CC1 ZINC001331058969 1389614200 /nfs/dbraw/zinc/61/42/00/1389614200.db2.gz GVAWQVYYSCDXAA-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC001338419419 1389680873 /nfs/dbraw/zinc/68/08/73/1389680873.db2.gz RRBOHTMGJCEDMR-KKSFZXQISA-N 2 1 335.451 3.435 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCC2CC2)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001332015449 1389946826 /nfs/dbraw/zinc/94/68/26/1389946826.db2.gz NHGBTEXWUDKRQE-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001332136899 1390002715 /nfs/dbraw/zinc/00/27/15/1390002715.db2.gz SAVQPMBOHNNYQM-UHFFFAOYSA-N 2 1 325.456 3.127 20 0 EGADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001332136899 1390002721 /nfs/dbraw/zinc/00/27/21/1390002721.db2.gz SAVQPMBOHNNYQM-UHFFFAOYSA-N 2 1 325.456 3.127 20 0 EGADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC001332612035 1390141036 /nfs/dbraw/zinc/14/10/36/1390141036.db2.gz HCEHPDCNMSTMDU-BACDZXNISA-N 2 1 339.524 3.142 20 0 EGADMP Cc1cc(F)ncc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001333668798 1390369691 /nfs/dbraw/zinc/36/96/91/1390369691.db2.gz RXALZWZCTVVTCT-GOSISDBHSA-N 2 1 327.447 3.183 20 0 EGADMP Cc1cc(F)ncc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001333668798 1390369695 /nfs/dbraw/zinc/36/96/95/1390369695.db2.gz RXALZWZCTVVTCT-GOSISDBHSA-N 2 1 327.447 3.183 20 0 EGADMP COc1cccc(C[N@@H+](CC2CC[NH+](C)CC2)C2CCC(O)CC2)c1 ZINC001334125865 1390483068 /nfs/dbraw/zinc/48/30/68/1390483068.db2.gz KZQIGEUWIYGFDT-UHFFFAOYSA-N 2 1 346.515 3.143 20 0 EGADMP C[C@@H]1C[NH2+]C[C@H]1CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001341553698 1390501524 /nfs/dbraw/zinc/50/15/24/1390501524.db2.gz SSYLNKUUICTWCF-JFIYKMOQSA-N 2 1 329.488 3.245 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[NH2+]CC2)cc1 ZINC001342082985 1390569303 /nfs/dbraw/zinc/56/93/03/1390569303.db2.gz TULAXUPJTCIHNS-KRWDZBQOSA-N 2 1 331.504 3.038 20 0 EGADMP c1ccc2c(c1)C[N@H+](C[C@@H]1CC3(CO1)CC[NH2+]CC3)CC21CCC1 ZINC001334763443 1390584162 /nfs/dbraw/zinc/58/41/62/1390584162.db2.gz RPUNERYTSPMNEK-SFHVURJKSA-N 2 1 326.484 3.083 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)c1cccc(F)c1 ZINC001335126014 1390645299 /nfs/dbraw/zinc/64/52/99/1390645299.db2.gz DHAGIHQFUFEFMK-FQEVSTJZSA-N 2 1 330.447 3.443 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@]34C[C@H]3COC43CCC3)CC2)cc1 ZINC001335131369 1390646218 /nfs/dbraw/zinc/64/62/18/1390646218.db2.gz BVHADWVGQNWUEN-AZUAARDMSA-N 2 1 326.484 3.200 20 0 EGADMP C[C@@H]([NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCCC1)c1ccccc1 ZINC001698804528 1406484390 /nfs/dbraw/zinc/48/43/90/1406484390.db2.gz KHZCTGWAQQTMHW-ZWKOTPCHSA-N 2 1 343.515 3.108 20 0 EGADMP CCCOc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1OC ZINC001349325506 1391321043 /nfs/dbraw/zinc/32/10/43/1391321043.db2.gz OUIJWIDPLOBLJG-UHFFFAOYSA-N 2 1 332.488 3.450 20 0 EGADMP CC[N@@H+](CCC[NH2+]C1CCN(CC(F)F)CC1)C1CCCCC1 ZINC001349569549 1391341616 /nfs/dbraw/zinc/34/16/16/1391341616.db2.gz OQNBMWBRLKFIFQ-UHFFFAOYSA-N 2 1 331.495 3.350 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001480368389 1392710725 /nfs/dbraw/zinc/71/07/25/1392710725.db2.gz VHCWDIXROMECNN-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP Cc1cccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC001480794050 1392937721 /nfs/dbraw/zinc/93/77/21/1392937721.db2.gz VARBYONTRKPREB-ICSRJNTNSA-N 2 1 345.531 3.242 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC1CCC(C)(C)CC1 ZINC001480865072 1392987833 /nfs/dbraw/zinc/98/78/33/1392987833.db2.gz ZZZPFCMWYZRYTC-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)CC1CCC(C)(C)CC1 ZINC001480865072 1392987834 /nfs/dbraw/zinc/98/78/34/1392987834.db2.gz ZZZPFCMWYZRYTC-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001480865072 1392987835 /nfs/dbraw/zinc/98/78/35/1392987835.db2.gz ZZZPFCMWYZRYTC-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001481192574 1393146834 /nfs/dbraw/zinc/14/68/34/1393146834.db2.gz WYEIYMBTJRBKPX-SFHVURJKSA-N 2 1 343.515 3.060 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@]1(C[NH2+]C(C)C)CCCC[C@@H]1C ZINC001481959793 1394620061 /nfs/dbraw/zinc/62/00/61/1394620061.db2.gz BUSDMBRXPYISIE-LPHOPBHVSA-N 2 1 334.508 3.035 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@]1(C[NH2+]C(C)C)CCCC[C@@H]1C ZINC001481959794 1394620249 /nfs/dbraw/zinc/62/02/49/1394620249.db2.gz BUSDMBRXPYISIE-QFBILLFUSA-N 2 1 334.508 3.035 20 0 EGADMP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001698960390 1406713482 /nfs/dbraw/zinc/71/34/82/1406713482.db2.gz IAVZOGLJEJBGBB-HNAYVOBHSA-N 2 1 349.494 3.101 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001482497137 1395048676 /nfs/dbraw/zinc/04/86/76/1395048676.db2.gz BSDQPSLIJIYBLN-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001484473565 1395408090 /nfs/dbraw/zinc/40/80/90/1395408090.db2.gz ZGCXMVZFRDHSFB-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CC2CCCCC2)CC1 ZINC001698999404 1406802823 /nfs/dbraw/zinc/80/28/23/1406802823.db2.gz AZXPZDWLWZUXRH-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001485778382 1396148696 /nfs/dbraw/zinc/14/86/96/1396148696.db2.gz DZEIPRMTFKIPHD-UXHICEINSA-N 2 1 345.531 3.354 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001699011430 1406841694 /nfs/dbraw/zinc/84/16/94/1406841694.db2.gz ZEFWGXTYMZRVFO-HXUWFJFHSA-N 2 1 345.531 3.404 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001690049443 1404281874 /nfs/dbraw/zinc/28/18/74/1404281874.db2.gz SIQBXUKTCHLAFV-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001690049443 1404281875 /nfs/dbraw/zinc/28/18/75/1404281875.db2.gz SIQBXUKTCHLAFV-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001690049443 1404281881 /nfs/dbraw/zinc/28/18/81/1404281881.db2.gz SIQBXUKTCHLAFV-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP Cc1ccccc1C[NH2+][C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001690606775 1404650396 /nfs/dbraw/zinc/65/03/96/1404650396.db2.gz UYOFBAZQBQFVQC-GOSISDBHSA-N 2 1 345.531 3.244 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001690970820 1404877903 /nfs/dbraw/zinc/87/79/03/1404877903.db2.gz LMLRXAPRNFXYRX-AEFFLSMTSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001690970820 1404877909 /nfs/dbraw/zinc/87/79/09/1404877909.db2.gz LMLRXAPRNFXYRX-AEFFLSMTSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001690970820 1404877912 /nfs/dbraw/zinc/87/79/12/1404877912.db2.gz LMLRXAPRNFXYRX-AEFFLSMTSA-N 2 1 349.494 3.057 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)[C@H](C)c1ccccc1 ZINC001691043612 1404954579 /nfs/dbraw/zinc/95/45/79/1404954579.db2.gz SFKVPNQSXMVTCM-QUCCMNQESA-N 2 1 345.531 3.449 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[C@H](C)c1ccccc1 ZINC001691043612 1404954582 /nfs/dbraw/zinc/95/45/82/1404954582.db2.gz SFKVPNQSXMVTCM-QUCCMNQESA-N 2 1 345.531 3.449 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)[C@H](C)c1ccccc1 ZINC001691043612 1404954585 /nfs/dbraw/zinc/95/45/85/1404954585.db2.gz SFKVPNQSXMVTCM-QUCCMNQESA-N 2 1 345.531 3.449 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001691102887 1405042798 /nfs/dbraw/zinc/04/27/98/1405042798.db2.gz QTFXDGDPPZFVEP-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001691102887 1405042804 /nfs/dbraw/zinc/04/28/04/1405042804.db2.gz QTFXDGDPPZFVEP-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001691102887 1405042806 /nfs/dbraw/zinc/04/28/06/1405042806.db2.gz QTFXDGDPPZFVEP-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001691990143 1405703108 /nfs/dbraw/zinc/70/31/08/1405703108.db2.gz VVFSNKIWEWIBMM-SJORKVTESA-N 2 1 349.494 3.009 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001691990143 1405703112 /nfs/dbraw/zinc/70/31/12/1405703112.db2.gz VVFSNKIWEWIBMM-SJORKVTESA-N 2 1 349.494 3.009 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001691990143 1405703117 /nfs/dbraw/zinc/70/31/17/1405703117.db2.gz VVFSNKIWEWIBMM-SJORKVTESA-N 2 1 349.494 3.009 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001691990142 1405703703 /nfs/dbraw/zinc/70/37/03/1405703703.db2.gz VVFSNKIWEWIBMM-IRXDYDNUSA-N 2 1 349.494 3.009 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001691990142 1405703708 /nfs/dbraw/zinc/70/37/08/1405703708.db2.gz VVFSNKIWEWIBMM-IRXDYDNUSA-N 2 1 349.494 3.009 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001691990142 1405703709 /nfs/dbraw/zinc/70/37/09/1405703709.db2.gz VVFSNKIWEWIBMM-IRXDYDNUSA-N 2 1 349.494 3.009 20 0 EGADMP CCc1ccccc1C[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001731803938 1427972076 /nfs/dbraw/zinc/97/20/76/1427972076.db2.gz XAEYGGQDIPTXHS-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001731803938 1427972084 /nfs/dbraw/zinc/97/20/84/1427972084.db2.gz XAEYGGQDIPTXHS-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001731803938 1427972095 /nfs/dbraw/zinc/97/20/95/1427972095.db2.gz XAEYGGQDIPTXHS-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1C[NH+]([C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001692343872 1405962994 /nfs/dbraw/zinc/96/29/94/1405962994.db2.gz IJFKMWWQMQUUFY-KRWDZBQOSA-N 2 1 345.531 3.261 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001698586031 1406202642 /nfs/dbraw/zinc/20/26/42/1406202642.db2.gz OMNHSBXOPDYZPF-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001699429174 1412745817 /nfs/dbraw/zinc/74/58/17/1412745817.db2.gz YMUHNFVOVQJXSF-IRXDYDNUSA-N 2 1 341.499 3.337 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001699460913 1412814513 /nfs/dbraw/zinc/81/45/13/1412814513.db2.gz GIMJOHWOFXJFHH-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP C[N@@H+](CC(=O)N1CCC([NH+](CC2CC2)CC2CC2)CC1)CC(C)(C)C ZINC001699689064 1413091635 /nfs/dbraw/zinc/09/16/35/1413091635.db2.gz MIHFSJFTQKKXSW-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CCC[NH+](C)Cc2ccccc2)C1 ZINC001700189300 1413616026 /nfs/dbraw/zinc/61/60/26/1413616026.db2.gz IOTIHXCPMOSOPF-FQEVSTJZSA-N 2 1 345.531 3.089 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)CCC[N@H+](C)Cc2ccccc2)C1 ZINC001700189300 1413616030 /nfs/dbraw/zinc/61/60/30/1413616030.db2.gz IOTIHXCPMOSOPF-FQEVSTJZSA-N 2 1 345.531 3.089 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001700189300 1413616034 /nfs/dbraw/zinc/61/60/34/1413616034.db2.gz IOTIHXCPMOSOPF-FQEVSTJZSA-N 2 1 345.531 3.089 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001700196401 1413637971 /nfs/dbraw/zinc/63/79/71/1413637971.db2.gz DZJMTPKVFLCBHQ-PMACEKPBSA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCC(C)(C)C)CC1(C)C)[NH+](C)C ZINC001700291828 1413744832 /nfs/dbraw/zinc/74/48/32/1413744832.db2.gz GQLGCAURMUBERZ-IRXDYDNUSA-N 2 1 339.568 3.370 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cc(C)ccc2C)[C@H](C)C1 ZINC001700321296 1413787286 /nfs/dbraw/zinc/78/72/86/1413787286.db2.gz YYSVZDXATDQHAA-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2cc(C)ccc2C)[C@H](C)C1 ZINC001700321296 1413787287 /nfs/dbraw/zinc/78/72/87/1413787287.db2.gz YYSVZDXATDQHAA-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)ccc2C)[C@H](C)C1 ZINC001700321296 1413787292 /nfs/dbraw/zinc/78/72/92/1413787292.db2.gz YYSVZDXATDQHAA-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccccc2F)[C@H]1C ZINC001700891001 1414550293 /nfs/dbraw/zinc/55/02/93/1414550293.db2.gz YGMQLOCFMTYSOZ-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2F)[C@H]1C ZINC001700891001 1414550295 /nfs/dbraw/zinc/55/02/95/1414550295.db2.gz YGMQLOCFMTYSOZ-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2F)[C@H]1C ZINC001700891001 1414550299 /nfs/dbraw/zinc/55/02/99/1414550299.db2.gz YGMQLOCFMTYSOZ-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001733044287 1429175745 /nfs/dbraw/zinc/17/57/45/1429175745.db2.gz GTNHVIDXGYTONJ-APWZRJJASA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001733044287 1429175748 /nfs/dbraw/zinc/17/57/48/1429175748.db2.gz GTNHVIDXGYTONJ-APWZRJJASA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001733044287 1429175750 /nfs/dbraw/zinc/17/57/50/1429175750.db2.gz GTNHVIDXGYTONJ-APWZRJJASA-N 2 1 331.504 3.059 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001713057150 1417611602 /nfs/dbraw/zinc/61/16/02/1417611602.db2.gz ZBQVTUKWUGWZGS-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001713062604 1417619809 /nfs/dbraw/zinc/61/98/09/1417619809.db2.gz GCHYHKGAGCYCHZ-MSOLQXFVSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713062604 1417619806 /nfs/dbraw/zinc/61/98/06/1417619806.db2.gz GCHYHKGAGCYCHZ-MSOLQXFVSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001713062604 1417619813 /nfs/dbraw/zinc/61/98/13/1417619813.db2.gz GCHYHKGAGCYCHZ-MSOLQXFVSA-N 2 1 339.568 3.227 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CCC[NH+](CCCC(C)(C)C)C1)C1CCC1 ZINC001713216095 1417791612 /nfs/dbraw/zinc/79/16/12/1417791612.db2.gz YMJKQBPQDJBMGE-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1)C1CCC1 ZINC001713216095 1417791615 /nfs/dbraw/zinc/79/16/15/1417791615.db2.gz YMJKQBPQDJBMGE-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1)C1CCC1 ZINC001713216095 1417791618 /nfs/dbraw/zinc/79/16/18/1417791618.db2.gz YMJKQBPQDJBMGE-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001713278055 1417901004 /nfs/dbraw/zinc/90/10/04/1417901004.db2.gz QJJDIZMCSANNHW-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001713279460 1417904701 /nfs/dbraw/zinc/90/47/01/1417904701.db2.gz ZNRHFYPPCIJSEH-MSOLQXFVSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001713291798 1417919463 /nfs/dbraw/zinc/91/94/63/1417919463.db2.gz ZXZUFYFYKIZNQB-VNCLNFNDSA-N 2 1 349.494 3.246 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCC[N@@H+](C)CC1CCCCCC1)c1ccccc1 ZINC001713477815 1418160249 /nfs/dbraw/zinc/16/02/49/1418160249.db2.gz FFADYBRIBHNCOC-FQEVSTJZSA-N 2 1 345.531 3.308 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCC[N@H+](C)CC1CCCCCC1)c1ccccc1 ZINC001713477815 1418160250 /nfs/dbraw/zinc/16/02/50/1418160250.db2.gz FFADYBRIBHNCOC-FQEVSTJZSA-N 2 1 345.531 3.308 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001713538430 1418295749 /nfs/dbraw/zinc/29/57/49/1418295749.db2.gz LLLTVJHOVVGIGL-MSOLQXFVSA-N 2 1 348.535 3.127 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001713538430 1418295751 /nfs/dbraw/zinc/29/57/51/1418295751.db2.gz LLLTVJHOVVGIGL-MSOLQXFVSA-N 2 1 348.535 3.127 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001713734483 1418525761 /nfs/dbraw/zinc/52/57/61/1418525761.db2.gz IWDHFRLOCRMNPP-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@H](CCNC(=O)CCC[NH+](C)C)C2)c1 ZINC001713735926 1418528977 /nfs/dbraw/zinc/52/89/77/1418528977.db2.gz ZOQJGWTZABHUCU-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[C@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001713737849 1418535135 /nfs/dbraw/zinc/53/51/35/1418535135.db2.gz NSQXDSJYBWXCQA-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001713737849 1418535136 /nfs/dbraw/zinc/53/51/36/1418535136.db2.gz NSQXDSJYBWXCQA-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001713737849 1418535138 /nfs/dbraw/zinc/53/51/38/1418535138.db2.gz NSQXDSJYBWXCQA-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C[NH+](C)CCC3CCCC3)CC2)C1 ZINC001713766176 1418580048 /nfs/dbraw/zinc/58/00/48/1418580048.db2.gz PXDIOBSUXADETD-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC(C[N@H+](C)CCC3CCCC3)CC2)C1 ZINC001713766176 1418580050 /nfs/dbraw/zinc/58/00/50/1418580050.db2.gz PXDIOBSUXADETD-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC(C[N@@H+](C)CCC3CCCC3)CC2)C1 ZINC001713766176 1418580051 /nfs/dbraw/zinc/58/00/51/1418580051.db2.gz PXDIOBSUXADETD-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001713826093 1418625917 /nfs/dbraw/zinc/62/59/17/1418625917.db2.gz ULAWJPTYSOPQQG-OXUXSNCKSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001713826093 1418625919 /nfs/dbraw/zinc/62/59/19/1418625919.db2.gz ULAWJPTYSOPQQG-OXUXSNCKSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001713826093 1418625921 /nfs/dbraw/zinc/62/59/21/1418625921.db2.gz ULAWJPTYSOPQQG-OXUXSNCKSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001713964895 1418744770 /nfs/dbraw/zinc/74/47/70/1418744770.db2.gz OYKQECCRIQSVKM-KZNAEPCWSA-N 2 1 331.504 3.025 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001714138937 1418941598 /nfs/dbraw/zinc/94/15/98/1418941598.db2.gz ARYYXJPCMCVVLF-PKOBYXMFSA-N 2 1 343.515 3.169 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1ccccc1 ZINC001714140026 1418942630 /nfs/dbraw/zinc/94/26/30/1418942630.db2.gz RZYUJRKHVWRGNE-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001714152064 1418959242 /nfs/dbraw/zinc/95/92/42/1418959242.db2.gz XHPXFSOZFHCZAF-ROUUACIJSA-N 2 1 343.515 3.026 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001714154782 1418963362 /nfs/dbraw/zinc/96/33/62/1418963362.db2.gz ZIXVUWMGSAGSTR-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001714154782 1418963364 /nfs/dbraw/zinc/96/33/64/1418963364.db2.gz ZIXVUWMGSAGSTR-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001714154782 1418963365 /nfs/dbraw/zinc/96/33/65/1418963365.db2.gz ZIXVUWMGSAGSTR-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001714413725 1419152088 /nfs/dbraw/zinc/15/20/88/1419152088.db2.gz XTQXOIOGHBBYEY-RBUKOAKNSA-N 2 1 337.552 3.316 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC[C@@H]([N@@H+](C)CCCC3CCC3)C2)CC1 ZINC001714449203 1419181996 /nfs/dbraw/zinc/18/19/96/1419181996.db2.gz YWRZRVYMVHHLAG-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CC2CCCCC2)C1 ZINC001714452484 1419184928 /nfs/dbraw/zinc/18/49/28/1419184928.db2.gz FDSUNUGVJPRAAG-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC001714452484 1419184929 /nfs/dbraw/zinc/18/49/29/1419184929.db2.gz FDSUNUGVJPRAAG-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001714452484 1419184930 /nfs/dbraw/zinc/18/49/30/1419184930.db2.gz FDSUNUGVJPRAAG-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001714564871 1419293220 /nfs/dbraw/zinc/29/32/20/1419293220.db2.gz MZEAWQARHVOCOM-OALUTQOASA-N 2 1 345.531 3.369 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001714813732 1419524761 /nfs/dbraw/zinc/52/47/61/1419524761.db2.gz HSGKYVRKOASPBD-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001715004722 1419735133 /nfs/dbraw/zinc/73/51/33/1419735133.db2.gz IXUSIZBYUAZMQP-QGZVFWFLSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001715004722 1419735135 /nfs/dbraw/zinc/73/51/35/1419735135.db2.gz IXUSIZBYUAZMQP-QGZVFWFLSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001715004722 1419735138 /nfs/dbraw/zinc/73/51/38/1419735138.db2.gz IXUSIZBYUAZMQP-QGZVFWFLSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1c(C)cc(C)cc1C ZINC001715062704 1419801380 /nfs/dbraw/zinc/80/13/80/1419801380.db2.gz INDUXMMVQWLENS-GOSISDBHSA-N 2 1 345.531 3.081 20 0 EGADMP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001715249796 1419975313 /nfs/dbraw/zinc/97/53/13/1419975313.db2.gz AXPYPLVIJZORDM-UYAOXDASSA-N 2 1 345.531 3.100 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716478280 1420693960 /nfs/dbraw/zinc/69/39/60/1420693960.db2.gz PXFFLAOJFDQMOJ-ZWKOTPCHSA-N 2 1 339.568 3.370 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001716485004 1420703347 /nfs/dbraw/zinc/70/33/47/1420703347.db2.gz LXYFKYGSRPKWOQ-PKOBYXMFSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1ccc2ccccc2c1 ZINC001716503356 1420732442 /nfs/dbraw/zinc/73/24/42/1420732442.db2.gz NEKKALDJJROSQL-KRWDZBQOSA-N 2 1 341.499 3.118 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC001716503356 1420732444 /nfs/dbraw/zinc/73/24/44/1420732444.db2.gz NEKKALDJJROSQL-KRWDZBQOSA-N 2 1 341.499 3.118 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC001716503356 1420732445 /nfs/dbraw/zinc/73/24/45/1420732445.db2.gz NEKKALDJJROSQL-KRWDZBQOSA-N 2 1 341.499 3.118 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001716507346 1420738196 /nfs/dbraw/zinc/73/81/96/1420738196.db2.gz CKWKLEAQOYQPAM-UYAOXDASSA-N 2 1 345.531 3.450 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001716684807 1420838471 /nfs/dbraw/zinc/83/84/71/1420838471.db2.gz CVFKWMGNWBRGKF-MJGOQNOKSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001716853619 1420985048 /nfs/dbraw/zinc/98/50/48/1420985048.db2.gz FHGGVEQICRLKMC-QUCCMNQESA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001717000019 1421070545 /nfs/dbraw/zinc/07/05/45/1421070545.db2.gz ZXXGDRAZCLHPFI-BCDXTJNWSA-N 2 1 346.519 3.166 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001717000019 1421070546 /nfs/dbraw/zinc/07/05/46/1421070546.db2.gz ZXXGDRAZCLHPFI-BCDXTJNWSA-N 2 1 346.519 3.166 20 0 EGADMP C[N@@H+](CC(=O)NCC1([NH2+]CC2CCCCC2)CCC1)CC(C)(C)C ZINC001717157260 1421146955 /nfs/dbraw/zinc/14/69/55/1421146955.db2.gz IPKIHTOVEKJUCQ-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001717201939 1421169845 /nfs/dbraw/zinc/16/98/45/1421169845.db2.gz LFBWFIAXVKJYTN-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001717201939 1421169848 /nfs/dbraw/zinc/16/98/48/1421169848.db2.gz LFBWFIAXVKJYTN-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001717201939 1421169852 /nfs/dbraw/zinc/16/98/52/1421169852.db2.gz LFBWFIAXVKJYTN-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)CCCN(C)C(=O)C[NH+]2CC[C@H](C)C2)c1 ZINC001717212558 1421187149 /nfs/dbraw/zinc/18/71/49/1421187149.db2.gz YKLOXOZKUOLDTC-RBUKOAKNSA-N 2 1 345.531 3.178 20 0 EGADMP Cc1cccc([C@@H](C)[NH+](C)CCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001717212558 1421187151 /nfs/dbraw/zinc/18/71/51/1421187151.db2.gz YKLOXOZKUOLDTC-RBUKOAKNSA-N 2 1 345.531 3.178 20 0 EGADMP Cc1cccc([C@@H](C)[NH+](C)CCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001717212558 1421187154 /nfs/dbraw/zinc/18/71/54/1421187154.db2.gz YKLOXOZKUOLDTC-RBUKOAKNSA-N 2 1 345.531 3.178 20 0 EGADMP CC(C)[N@H+]1Cc2ccc(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)cc2C1 ZINC001717270627 1421227622 /nfs/dbraw/zinc/22/76/22/1421227622.db2.gz GAOIVFKHPLDSKY-QGZVFWFLSA-N 2 1 343.515 3.291 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)CC1(C)C ZINC001717311701 1421256316 /nfs/dbraw/zinc/25/63/16/1421256316.db2.gz GEPVCNJKRITYOK-KRWDZBQOSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCCC(C)(C)C)CC1(C)C ZINC001717311701 1421256319 /nfs/dbraw/zinc/25/63/19/1421256319.db2.gz GEPVCNJKRITYOK-KRWDZBQOSA-N 2 1 348.535 3.235 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001717377064 1421319824 /nfs/dbraw/zinc/31/98/24/1421319824.db2.gz FQFSDWWCDZICBQ-HXUWFJFHSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001733410989 1429611325 /nfs/dbraw/zinc/61/13/25/1429611325.db2.gz HBGDKDGJVKCABK-OXQOHEQNSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001733410989 1429611330 /nfs/dbraw/zinc/61/13/30/1429611330.db2.gz HBGDKDGJVKCABK-OXQOHEQNSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001733410989 1429611335 /nfs/dbraw/zinc/61/13/35/1429611335.db2.gz HBGDKDGJVKCABK-OXQOHEQNSA-N 2 1 349.494 3.199 20 0 EGADMP CCCC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CCCCCC1 ZINC001723639388 1424502674 /nfs/dbraw/zinc/50/26/74/1424502674.db2.gz DWLYMWCEMUWJAB-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CCCCCC1 ZINC001723639388 1424502679 /nfs/dbraw/zinc/50/26/79/1424502679.db2.gz DWLYMWCEMUWJAB-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CCCCCC1 ZINC001723639388 1424502682 /nfs/dbraw/zinc/50/26/82/1424502682.db2.gz DWLYMWCEMUWJAB-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)C[C@@H]1C ZINC001723877244 1424595479 /nfs/dbraw/zinc/59/54/79/1424595479.db2.gz TYRPHLXQQKOLLP-QYLKWSRPSA-N 2 1 343.515 3.011 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1(C)CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001724021483 1424631153 /nfs/dbraw/zinc/63/11/53/1424631153.db2.gz CZBPFYIFSZKJTQ-SFHVURJKSA-N 2 1 345.531 3.369 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+]1CCCC1)C2 ZINC001733565983 1429766871 /nfs/dbraw/zinc/76/68/71/1429766871.db2.gz MBZJXACJUABCER-REPLKXPHSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H](c1ccccc1F)[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001724855696 1425226423 /nfs/dbraw/zinc/22/64/23/1425226423.db2.gz NBTNVKIJTXNCJI-INIZCTEOSA-N 2 1 349.494 3.009 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001725047325 1425477624 /nfs/dbraw/zinc/47/76/24/1425477624.db2.gz MGPIUGSSONGJRN-OALUTQOASA-N 2 1 345.531 3.321 20 0 EGADMP C[C@H](c1ccccc1F)[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001725196607 1425751569 /nfs/dbraw/zinc/75/15/69/1425751569.db2.gz RIYQAUQTUQTKTK-DLBZAZTESA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@H](C(=O)N1CCC([N@@H+](C)CCCC2CCCC2)CC1)[NH+](C)C ZINC001725419635 1426067088 /nfs/dbraw/zinc/06/70/88/1426067088.db2.gz GRYLHOIDCXBNNE-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1CCCC1CCCC1 ZINC001725634118 1426304282 /nfs/dbraw/zinc/30/42/82/1426304282.db2.gz RMARKWKYHURNSH-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C2CC2)c1 ZINC001731396881 1427353154 /nfs/dbraw/zinc/35/31/54/1427353154.db2.gz NBRSSOWSZFXVBB-JXFKEZNVSA-N 2 1 343.515 3.025 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001731536201 1427532777 /nfs/dbraw/zinc/53/27/77/1427532777.db2.gz MCUPVJJSKXHXLZ-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001731536201 1427532782 /nfs/dbraw/zinc/53/27/82/1427532782.db2.gz MCUPVJJSKXHXLZ-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001731536201 1427532785 /nfs/dbraw/zinc/53/27/85/1427532785.db2.gz MCUPVJJSKXHXLZ-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](CC)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001731812094 1427996114 /nfs/dbraw/zinc/99/61/14/1427996114.db2.gz BDGTUYFVEDERQU-HXUWFJFHSA-N 2 1 345.531 3.308 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001731880073 1428149569 /nfs/dbraw/zinc/14/95/69/1428149569.db2.gz ATNNNOXDHYMDDU-PXNSSMCTSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001731880073 1428149592 /nfs/dbraw/zinc/14/95/92/1428149592.db2.gz ATNNNOXDHYMDDU-PXNSSMCTSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001731880073 1428149607 /nfs/dbraw/zinc/14/96/07/1428149607.db2.gz ATNNNOXDHYMDDU-PXNSSMCTSA-N 2 1 343.515 3.060 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001733766133 1429988554 /nfs/dbraw/zinc/98/85/54/1429988554.db2.gz BYIAZGFEDBIXAJ-FQEVSTJZSA-N 2 1 343.515 3.033 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](C/C=C\c2ccccc2)CC1 ZINC001733770575 1430000889 /nfs/dbraw/zinc/00/08/89/1430000889.db2.gz UDYMMYKUHBCQOZ-QRGKHIHXSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](C/C=C\c2ccccc2)CC1 ZINC001733770575 1430000895 /nfs/dbraw/zinc/00/08/95/1430000895.db2.gz UDYMMYKUHBCQOZ-QRGKHIHXSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](C/C=C\c2ccccc2)CC1 ZINC001733770575 1430000901 /nfs/dbraw/zinc/00/09/01/1430000901.db2.gz UDYMMYKUHBCQOZ-QRGKHIHXSA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001733941700 1437757754 /nfs/dbraw/zinc/75/77/54/1437757754.db2.gz SCNIVFOQKCFHBK-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001733941700 1437757755 /nfs/dbraw/zinc/75/77/55/1437757755.db2.gz SCNIVFOQKCFHBK-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001733941700 1437757756 /nfs/dbraw/zinc/75/77/56/1437757756.db2.gz SCNIVFOQKCFHBK-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@H]2CCC[NH+](CC3CC3)C2)CC1 ZINC001733941818 1437758217 /nfs/dbraw/zinc/75/82/17/1437758217.db2.gz RCFVRWSEJGUOTN-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC001733941818 1437758218 /nfs/dbraw/zinc/75/82/18/1437758218.db2.gz RCFVRWSEJGUOTN-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC001733941818 1437758219 /nfs/dbraw/zinc/75/82/19/1437758219.db2.gz RCFVRWSEJGUOTN-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1[C@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@H+]1CCCC1CCC1 ZINC001734456314 1438114054 /nfs/dbraw/zinc/11/40/54/1438114054.db2.gz HTNAHZPACBQDKC-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001752181971 1440151224 /nfs/dbraw/zinc/15/12/24/1440151224.db2.gz REMSHCHAIPPDCE-RLLQIKCJSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CC)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001752181971 1440151226 /nfs/dbraw/zinc/15/12/26/1440151226.db2.gz REMSHCHAIPPDCE-RLLQIKCJSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CC)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001752181971 1440151227 /nfs/dbraw/zinc/15/12/27/1440151227.db2.gz REMSHCHAIPPDCE-RLLQIKCJSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001752293369 1440166517 /nfs/dbraw/zinc/16/65/17/1440166517.db2.gz JPGPQCJGHMSEPG-ICSRJNTNSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001752293369 1440166519 /nfs/dbraw/zinc/16/65/19/1440166519.db2.gz JPGPQCJGHMSEPG-ICSRJNTNSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001752293369 1440166520 /nfs/dbraw/zinc/16/65/20/1440166520.db2.gz JPGPQCJGHMSEPG-ICSRJNTNSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001752309952 1440169727 /nfs/dbraw/zinc/16/97/27/1440169727.db2.gz ICQHHXDDPUCELW-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001752733192 1440204281 /nfs/dbraw/zinc/20/42/81/1440204281.db2.gz MRHCXWJUEVLXJY-SCTDSRPQSA-N 2 1 335.536 3.066 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001752789328 1440213002 /nfs/dbraw/zinc/21/30/02/1440213002.db2.gz YICONCHWFOUABA-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC001752789328 1440213003 /nfs/dbraw/zinc/21/30/03/1440213003.db2.gz YICONCHWFOUABA-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001752789328 1440213004 /nfs/dbraw/zinc/21/30/04/1440213004.db2.gz YICONCHWFOUABA-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC001752819165 1440219420 /nfs/dbraw/zinc/21/94/20/1440219420.db2.gz PZUBRDSITHMPIQ-IAGOWNOFSA-N 2 1 334.508 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC001752819165 1440219421 /nfs/dbraw/zinc/21/94/21/1440219421.db2.gz PZUBRDSITHMPIQ-IAGOWNOFSA-N 2 1 334.508 3.023 20 0 EGADMP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC001752833534 1440226558 /nfs/dbraw/zinc/22/65/58/1440226558.db2.gz HDXIQRGSTDYLSV-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752835399 1440227559 /nfs/dbraw/zinc/22/75/59/1440227559.db2.gz FNPZKDXJDBHHNE-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001752835399 1440227560 /nfs/dbraw/zinc/22/75/60/1440227560.db2.gz FNPZKDXJDBHHNE-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001752835399 1440227561 /nfs/dbraw/zinc/22/75/61/1440227561.db2.gz FNPZKDXJDBHHNE-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001752836071 1440227788 /nfs/dbraw/zinc/22/77/88/1440227788.db2.gz KOFFSSXPALIUIP-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H](NC(=O)C[NH+](C)C1CCC1)[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001752836071 1440227789 /nfs/dbraw/zinc/22/77/89/1440227789.db2.gz KOFFSSXPALIUIP-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H](NC(=O)C[NH+](C)C1CCC1)[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001752836071 1440227790 /nfs/dbraw/zinc/22/77/90/1440227790.db2.gz KOFFSSXPALIUIP-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001752840122 1440230075 /nfs/dbraw/zinc/23/00/75/1440230075.db2.gz GWBOWQXYHWGLJT-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001752840122 1440230076 /nfs/dbraw/zinc/23/00/76/1440230076.db2.gz GWBOWQXYHWGLJT-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001752840122 1440230077 /nfs/dbraw/zinc/23/00/77/1440230077.db2.gz GWBOWQXYHWGLJT-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001752840425 1440230172 /nfs/dbraw/zinc/23/01/72/1440230172.db2.gz JWWHMPLHSPOUPN-MSOLQXFVSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001752840425 1440230173 /nfs/dbraw/zinc/23/01/73/1440230173.db2.gz JWWHMPLHSPOUPN-MSOLQXFVSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001752840425 1440230174 /nfs/dbraw/zinc/23/01/74/1440230174.db2.gz JWWHMPLHSPOUPN-MSOLQXFVSA-N 2 1 339.568 3.371 20 0 EGADMP C[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001752841709 1440231055 /nfs/dbraw/zinc/23/10/55/1440231055.db2.gz SINIVFQZJYMTQC-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[NH+](Cc2cccc(C)c2)C1 ZINC001752842351 1440231258 /nfs/dbraw/zinc/23/12/58/1440231258.db2.gz YSUGAXDZTWDUHJ-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC001752842351 1440231259 /nfs/dbraw/zinc/23/12/59/1440231259.db2.gz YSUGAXDZTWDUHJ-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC001752842351 1440231260 /nfs/dbraw/zinc/23/12/60/1440231260.db2.gz YSUGAXDZTWDUHJ-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001752842398 1440231335 /nfs/dbraw/zinc/23/13/35/1440231335.db2.gz ZGDYEWKODXCFBZ-YSKLNCTFSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+]Cc2ccc(CF)cc2)CC1 ZINC001752854777 1440234643 /nfs/dbraw/zinc/23/46/43/1440234643.db2.gz VQIIULUSOLVSAT-UHFFFAOYSA-N 2 1 349.494 3.015 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC001752959003 1440253090 /nfs/dbraw/zinc/25/30/90/1440253090.db2.gz RUEVBBGEWLMPET-APWZRJJASA-N 2 1 349.494 3.057 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC2CC2)C1)C1CCCCC1 ZINC001752973230 1440255499 /nfs/dbraw/zinc/25/54/99/1440255499.db2.gz GHKYTEZMQYNTFN-RTBURBONSA-N 2 1 349.563 3.458 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001752979527 1440256709 /nfs/dbraw/zinc/25/67/09/1440256709.db2.gz BUQYROGHUNNQTD-ROUUACIJSA-N 2 1 337.552 3.172 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001753000383 1440264395 /nfs/dbraw/zinc/26/43/95/1440264395.db2.gz RXXDWDRWJQQBOX-YLJYHZDGSA-N 2 1 345.531 3.331 20 0 EGADMP Cc1cccc(C)c1C[N@@H+]1CCC[C@H]1CCCNC(=O)CC[NH+](C)C ZINC001753034318 1440274153 /nfs/dbraw/zinc/27/41/53/1440274153.db2.gz FVFOBMVNMYMBTD-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC1CC1 ZINC001753035751 1440274486 /nfs/dbraw/zinc/27/44/86/1440274486.db2.gz JVQUHJLPVTZZPD-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CCC1CC1 ZINC001753035751 1440274487 /nfs/dbraw/zinc/27/44/87/1440274487.db2.gz JVQUHJLPVTZZPD-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CCC1CC1 ZINC001753035751 1440274488 /nfs/dbraw/zinc/27/44/88/1440274488.db2.gz JVQUHJLPVTZZPD-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CCC1 ZINC001753039909 1440275872 /nfs/dbraw/zinc/27/58/72/1440275872.db2.gz MQVSEXZQHWAHQK-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCC1 ZINC001753039909 1440275873 /nfs/dbraw/zinc/27/58/73/1440275873.db2.gz MQVSEXZQHWAHQK-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC1CCC1 ZINC001753039909 1440275874 /nfs/dbraw/zinc/27/58/74/1440275874.db2.gz MQVSEXZQHWAHQK-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001753066821 1440285681 /nfs/dbraw/zinc/28/56/81/1440285681.db2.gz BXLKHVCAIKPJLF-KRWDZBQOSA-N 2 1 342.487 3.089 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC[N@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001753066821 1440285682 /nfs/dbraw/zinc/28/56/82/1440285682.db2.gz BXLKHVCAIKPJLF-KRWDZBQOSA-N 2 1 342.487 3.089 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)CC1CCCC1 ZINC001753083068 1440294917 /nfs/dbraw/zinc/29/49/17/1440294917.db2.gz UFLFDCZXBDAURH-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)CC1CCCC1 ZINC001753083068 1440294918 /nfs/dbraw/zinc/29/49/18/1440294918.db2.gz UFLFDCZXBDAURH-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)CC1CCCC1 ZINC001753083068 1440294919 /nfs/dbraw/zinc/29/49/19/1440294919.db2.gz UFLFDCZXBDAURH-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@H](C)c1ccc(Cl)cc1 ZINC001753085646 1440296092 /nfs/dbraw/zinc/29/60/92/1440296092.db2.gz JSGGTNRSUXLABA-OAHLLOKOSA-N 2 1 348.878 3.044 20 0 EGADMP CC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@H](C)c1ccc(Cl)cc1 ZINC001753085646 1440296093 /nfs/dbraw/zinc/29/60/93/1440296093.db2.gz JSGGTNRSUXLABA-OAHLLOKOSA-N 2 1 348.878 3.044 20 0 EGADMP CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)CCC1CCCCCC1 ZINC001753087294 1440296949 /nfs/dbraw/zinc/29/69/49/1440296949.db2.gz ZFYSEECUULRYCQ-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)NC[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC001753116459 1440311602 /nfs/dbraw/zinc/31/16/02/1440311602.db2.gz VXBYRLYNRGKATA-HXUWFJFHSA-N 2 1 349.563 3.413 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C)cc1C ZINC001753117005 1440311731 /nfs/dbraw/zinc/31/17/31/1440311731.db2.gz TYSWTVCQHBKLRM-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1C ZINC001753117005 1440311732 /nfs/dbraw/zinc/31/17/32/1440311732.db2.gz TYSWTVCQHBKLRM-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C)cc1C ZINC001753117005 1440311733 /nfs/dbraw/zinc/31/17/33/1440311733.db2.gz TYSWTVCQHBKLRM-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)(C(=O)NCC[N@@H+](CCC1CCCC1)C1CC1)[NH+]1CCCC1 ZINC001753158398 1440332313 /nfs/dbraw/zinc/33/23/13/1440332313.db2.gz SEUONVMZMXSZIQ-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC1CCCCCC1 ZINC001753295124 1440352033 /nfs/dbraw/zinc/35/20/33/1440352033.db2.gz DXAKNARBWKEUDC-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)CC1CCCCCC1 ZINC001753295124 1440352034 /nfs/dbraw/zinc/35/20/34/1440352034.db2.gz DXAKNARBWKEUDC-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)CC1CCCCCC1 ZINC001753295124 1440352035 /nfs/dbraw/zinc/35/20/35/1440352035.db2.gz DXAKNARBWKEUDC-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)Cc1ccccc1 ZINC001753295541 1440352207 /nfs/dbraw/zinc/35/22/07/1440352207.db2.gz VYCBPZKHDJECHB-KDURUIRLSA-N 2 1 345.531 3.276 20 0 EGADMP CC(C)[NH+](CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)Cc1ccccc1 ZINC001753295541 1440352208 /nfs/dbraw/zinc/35/22/08/1440352208.db2.gz VYCBPZKHDJECHB-KDURUIRLSA-N 2 1 345.531 3.276 20 0 EGADMP CC(C)[NH+](CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)Cc1ccccc1 ZINC001753295541 1440352209 /nfs/dbraw/zinc/35/22/09/1440352209.db2.gz VYCBPZKHDJECHB-KDURUIRLSA-N 2 1 345.531 3.276 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CCC1=CCCCC1 ZINC001753295657 1440352211 /nfs/dbraw/zinc/35/22/11/1440352211.db2.gz ZWJPHXVINSNPSY-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)CCC1=CCCCC1 ZINC001753295657 1440352212 /nfs/dbraw/zinc/35/22/12/1440352212.db2.gz ZWJPHXVINSNPSY-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCC1=CCCCC1 ZINC001753295657 1440352213 /nfs/dbraw/zinc/35/22/13/1440352213.db2.gz ZWJPHXVINSNPSY-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001753316364 1440359848 /nfs/dbraw/zinc/35/98/48/1440359848.db2.gz PUHDBBWTWDQLNK-SJLPKXTDSA-N 2 1 346.519 3.120 20 0 EGADMP CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001753316364 1440359849 /nfs/dbraw/zinc/35/98/49/1440359849.db2.gz PUHDBBWTWDQLNK-SJLPKXTDSA-N 2 1 346.519 3.120 20 0 EGADMP CC/C=C\CC[N@@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001753359543 1440382105 /nfs/dbraw/zinc/38/21/05/1440382105.db2.gz JPXZZLLXDINRFC-LIXSYLKWSA-N 2 1 349.563 3.243 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001753448660 1440405025 /nfs/dbraw/zinc/40/50/25/1440405025.db2.gz YWJBCIBUKGSRAM-MOPGFXCFSA-N 2 1 345.531 3.321 20 0 EGADMP CCCCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001753460574 1440410437 /nfs/dbraw/zinc/41/04/37/1440410437.db2.gz BPQZKHZWRROPQC-GOSISDBHSA-N 2 1 342.487 3.369 20 0 EGADMP CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccccc1C1CC1 ZINC001753477555 1440415715 /nfs/dbraw/zinc/41/57/15/1440415715.db2.gz DYEOOUPOEMHTEN-UYAOXDASSA-N 2 1 343.515 3.033 20 0 EGADMP CC[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001753486462 1440418030 /nfs/dbraw/zinc/41/80/30/1440418030.db2.gz QVUDOCBDCQYMLC-FXAWDEMLSA-N 2 1 345.531 3.136 20 0 EGADMP CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001753557140 1440436248 /nfs/dbraw/zinc/43/62/48/1440436248.db2.gz GQQVUTBANHOBNA-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]Cc2ccccc2C)C1 ZINC001753559802 1440436780 /nfs/dbraw/zinc/43/67/80/1440436780.db2.gz NXUXCDJBZSSMLA-IBGZPJMESA-N 2 1 345.531 3.055 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001753586825 1440441508 /nfs/dbraw/zinc/44/15/08/1440441508.db2.gz CXRQRUOLFOSQFD-RTLRUIJZSA-N 2 1 335.536 3.092 20 0 EGADMP CC/C=C\CC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]cn1)CC2 ZINC001753604075 1440447716 /nfs/dbraw/zinc/44/77/16/1440447716.db2.gz UFAILJQHQYKZAQ-ARJAWSKDSA-N 2 1 344.503 3.013 20 0 EGADMP CC/C=C\CC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1cnc[nH]1)CC2 ZINC001753604075 1440447717 /nfs/dbraw/zinc/44/77/17/1440447717.db2.gz UFAILJQHQYKZAQ-ARJAWSKDSA-N 2 1 344.503 3.013 20 0 EGADMP CC/C=C\CC[N@H+]1CCC2(C1)CCN(C(=O)CCc1cnc[nH]1)CC2 ZINC001753604075 1440447718 /nfs/dbraw/zinc/44/77/18/1440447718.db2.gz UFAILJQHQYKZAQ-ARJAWSKDSA-N 2 1 344.503 3.013 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCCCCC1 ZINC001753773938 1440486158 /nfs/dbraw/zinc/48/61/58/1440486158.db2.gz UVBBQLFFFMWBMF-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001753855145 1440508489 /nfs/dbraw/zinc/50/84/89/1440508489.db2.gz MQJNRCPETPZHRD-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001753855145 1440508490 /nfs/dbraw/zinc/50/84/90/1440508490.db2.gz MQJNRCPETPZHRD-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001753855145 1440508491 /nfs/dbraw/zinc/50/84/91/1440508491.db2.gz MQJNRCPETPZHRD-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@H](CC[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001753992345 1440529224 /nfs/dbraw/zinc/52/92/24/1440529224.db2.gz FOTSOTICEOHQQV-IKGGRYGDSA-N 2 1 325.541 3.027 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001754330753 1440583757 /nfs/dbraw/zinc/58/37/57/1440583757.db2.gz NTQMPKJWRGCLDF-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001754330753 1440583758 /nfs/dbraw/zinc/58/37/58/1440583758.db2.gz NTQMPKJWRGCLDF-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001754330753 1440583759 /nfs/dbraw/zinc/58/37/59/1440583759.db2.gz NTQMPKJWRGCLDF-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001754335429 1440586169 /nfs/dbraw/zinc/58/61/69/1440586169.db2.gz COTSSBHQXDARNP-PKOBYXMFSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001754515903 1440618562 /nfs/dbraw/zinc/61/85/62/1440618562.db2.gz GIPJRALBTJTBKO-ROUUACIJSA-N 2 1 343.515 3.169 20 0 EGADMP CCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001754543897 1440626782 /nfs/dbraw/zinc/62/67/82/1440626782.db2.gz IDMGYVUWTNJQEN-CEXWTWQISA-N 2 1 337.552 3.362 20 0 EGADMP CCCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001754548961 1440629065 /nfs/dbraw/zinc/62/90/65/1440629065.db2.gz MJLCGJYCSCBKPB-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001754548961 1440629066 /nfs/dbraw/zinc/62/90/66/1440629066.db2.gz MJLCGJYCSCBKPB-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001754548961 1440629067 /nfs/dbraw/zinc/62/90/67/1440629067.db2.gz MJLCGJYCSCBKPB-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@]2(C1)CCC[NH+](CCCC1CCC1)C2 ZINC001754558637 1440633016 /nfs/dbraw/zinc/63/30/16/1440633016.db2.gz YDOFNHPWIKTHFD-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCCC1CCC1)C2 ZINC001754558637 1440633017 /nfs/dbraw/zinc/63/30/17/1440633017.db2.gz YDOFNHPWIKTHFD-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCC1CCC1)C2 ZINC001754558637 1440633018 /nfs/dbraw/zinc/63/30/18/1440633018.db2.gz YDOFNHPWIKTHFD-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001754568952 1440636731 /nfs/dbraw/zinc/63/67/31/1440636731.db2.gz IJNGGCBAKZUMQW-VKUXZERMSA-N 2 1 347.547 3.143 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001754609998 1440643761 /nfs/dbraw/zinc/64/37/61/1440643761.db2.gz XMBXJBJBEVDMCX-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001754677057 1440660553 /nfs/dbraw/zinc/66/05/53/1440660553.db2.gz YYLZCLDRVJXXDH-FXAWDEMLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001754677057 1440660554 /nfs/dbraw/zinc/66/05/54/1440660554.db2.gz YYLZCLDRVJXXDH-FXAWDEMLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001754677057 1440660555 /nfs/dbraw/zinc/66/05/55/1440660555.db2.gz YYLZCLDRVJXXDH-FXAWDEMLSA-N 2 1 337.552 3.268 20 0 EGADMP CC1CCC(C[NH2+]C[C@@]2(C)CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001754697516 1440667289 /nfs/dbraw/zinc/66/72/89/1440667289.db2.gz QVZUGFHMQXIAKS-WIXQSORDSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCC2CCC2)C1 ZINC001754697042 1440667298 /nfs/dbraw/zinc/66/72/98/1440667298.db2.gz JNMJTMKGCPSDIO-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001754727762 1440677124 /nfs/dbraw/zinc/67/71/24/1440677124.db2.gz MRJWHIQIFONHQG-ICSRJNTNSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001754727762 1440677125 /nfs/dbraw/zinc/67/71/25/1440677125.db2.gz MRJWHIQIFONHQG-ICSRJNTNSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001754727762 1440677126 /nfs/dbraw/zinc/67/71/26/1440677126.db2.gz MRJWHIQIFONHQG-ICSRJNTNSA-N 2 1 337.552 3.269 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001754733723 1440681330 /nfs/dbraw/zinc/68/13/30/1440681330.db2.gz OJGAMBRSFUXVFW-VKEZQZQQSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001754733723 1440681331 /nfs/dbraw/zinc/68/13/31/1440681331.db2.gz OJGAMBRSFUXVFW-VKEZQZQQSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001754733723 1440681332 /nfs/dbraw/zinc/68/13/32/1440681332.db2.gz OJGAMBRSFUXVFW-VKEZQZQQSA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+](C)CCCCC(=O)NC[C@]1(C)CCC[N@@H+](CCC(C)(C)C)C1 ZINC001754734481 1440681640 /nfs/dbraw/zinc/68/16/40/1440681640.db2.gz WJAPIOJWFUJUJJ-FQEVSTJZSA-N 2 1 339.568 3.373 20 0 EGADMP CCCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001754802397 1440690663 /nfs/dbraw/zinc/69/06/63/1440690663.db2.gz BDKBKWDOWMTNQI-SJORKVTESA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001754866972 1440703070 /nfs/dbraw/zinc/70/30/70/1440703070.db2.gz GEHMCILZXIJKJK-RBUKOAKNSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CC1)C1CCCCC1 ZINC001754868759 1440704087 /nfs/dbraw/zinc/70/40/87/1440704087.db2.gz PUDAVQIXUXCEHB-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1)C1CCCCC1 ZINC001754868759 1440704088 /nfs/dbraw/zinc/70/40/88/1440704088.db2.gz PUDAVQIXUXCEHB-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CC1)C1CCCCC1 ZINC001754868759 1440704089 /nfs/dbraw/zinc/70/40/89/1440704089.db2.gz PUDAVQIXUXCEHB-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCC3CCCCC3)C[C@H]21 ZINC001754874937 1440706412 /nfs/dbraw/zinc/70/64/12/1440706412.db2.gz ULQOUSQOHOZZRR-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21 ZINC001754874937 1440706413 /nfs/dbraw/zinc/70/64/13/1440706413.db2.gz ULQOUSQOHOZZRR-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21 ZINC001754874937 1440706414 /nfs/dbraw/zinc/70/64/14/1440706414.db2.gz ULQOUSQOHOZZRR-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC(C)CC2)CCC1 ZINC001754982745 1440721687 /nfs/dbraw/zinc/72/16/87/1440721687.db2.gz GVLNCWSTLBICAV-CTWPCTMYSA-N 2 1 349.563 3.316 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001755027519 1440729501 /nfs/dbraw/zinc/72/95/01/1440729501.db2.gz BBHRDNCFKWXYSV-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)ccc2C)CC1 ZINC001755031058 1440731259 /nfs/dbraw/zinc/73/12/59/1440731259.db2.gz MEOAPFWSSZAGCI-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)ccc2C)CC1 ZINC001755031058 1440731260 /nfs/dbraw/zinc/73/12/60/1440731260.db2.gz MEOAPFWSSZAGCI-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2C)CC1 ZINC001755031058 1440731261 /nfs/dbraw/zinc/73/12/61/1440731261.db2.gz MEOAPFWSSZAGCI-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC(CC)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001755039233 1440736312 /nfs/dbraw/zinc/73/63/12/1440736312.db2.gz MAMIGVLOAQTJGU-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001755039233 1440736313 /nfs/dbraw/zinc/73/63/13/1440736313.db2.gz MAMIGVLOAQTJGU-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001755039233 1440736314 /nfs/dbraw/zinc/73/63/14/1440736314.db2.gz MAMIGVLOAQTJGU-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCC1([NH2+]CCCC(C)C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001755073201 1440747419 /nfs/dbraw/zinc/74/74/19/1440747419.db2.gz KOLKFSFRXYRXFO-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@]2(CC[NH+](CCC3CCCC3)C2)C1 ZINC001755079378 1440750417 /nfs/dbraw/zinc/75/04/17/1440750417.db2.gz IUNQFQQDNRQEKK-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@]2(CC[N@H+](CCC3CCCC3)C2)C1 ZINC001755079378 1440750418 /nfs/dbraw/zinc/75/04/18/1440750418.db2.gz IUNQFQQDNRQEKK-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@]2(CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001755079378 1440750419 /nfs/dbraw/zinc/75/04/19/1440750419.db2.gz IUNQFQQDNRQEKK-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCCCC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001755133130 1440757581 /nfs/dbraw/zinc/75/75/81/1440757581.db2.gz CZLKXBOQBDLBAC-UHFFFAOYSA-N 2 1 325.541 3.125 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001755142309 1440761257 /nfs/dbraw/zinc/76/12/57/1440761257.db2.gz QJZLBVJCZRECQK-SJLPKXTDSA-N 2 1 348.535 3.235 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001755142309 1440761258 /nfs/dbraw/zinc/76/12/58/1440761258.db2.gz QJZLBVJCZRECQK-SJLPKXTDSA-N 2 1 348.535 3.235 20 0 EGADMP CCc1ccc(C[NH+]2CC[C@@H](NC(=O)CC[N@H+](C)CC)C[C@@H]2C)cc1 ZINC001755167206 1440767467 /nfs/dbraw/zinc/76/74/67/1440767467.db2.gz LRDITSXRDUJUJC-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[N@H+]2CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@@H]2C)cc1 ZINC001755167206 1440767468 /nfs/dbraw/zinc/76/74/68/1440767468.db2.gz LRDITSXRDUJUJC-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@@H]2C)cc1 ZINC001755167206 1440767469 /nfs/dbraw/zinc/76/74/69/1440767469.db2.gz LRDITSXRDUJUJC-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCCCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001755170845 1440768819 /nfs/dbraw/zinc/76/88/19/1440768819.db2.gz BWSNGEWVZHSUCD-HXUWFJFHSA-N 2 1 345.531 3.232 20 0 EGADMP CCCCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001755170845 1440768820 /nfs/dbraw/zinc/76/88/20/1440768820.db2.gz BWSNGEWVZHSUCD-HXUWFJFHSA-N 2 1 345.531 3.232 20 0 EGADMP CCCCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001755170845 1440768821 /nfs/dbraw/zinc/76/88/21/1440768821.db2.gz BWSNGEWVZHSUCD-HXUWFJFHSA-N 2 1 345.531 3.232 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001755204040 1440781529 /nfs/dbraw/zinc/78/15/29/1440781529.db2.gz FXOLHKDAAIADMD-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001755204040 1440781530 /nfs/dbraw/zinc/78/15/30/1440781530.db2.gz FXOLHKDAAIADMD-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001755204040 1440781531 /nfs/dbraw/zinc/78/15/31/1440781531.db2.gz FXOLHKDAAIADMD-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1cccc(C)c1C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001755254897 1440792846 /nfs/dbraw/zinc/79/28/46/1440792846.db2.gz AHAKRZYIOXFHKA-QZTJIDSGSA-N 2 1 347.547 3.264 20 0 EGADMP CCCCC[N@H+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001755366049 1440834342 /nfs/dbraw/zinc/83/43/42/1440834342.db2.gz JJPGZNKYJPPOGE-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001755366049 1440834343 /nfs/dbraw/zinc/83/43/43/1440834343.db2.gz JJPGZNKYJPPOGE-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001755366049 1440834344 /nfs/dbraw/zinc/83/43/44/1440834344.db2.gz JJPGZNKYJPPOGE-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCCC[NH+]1CCC1CCCC1 ZINC001755367324 1440835376 /nfs/dbraw/zinc/83/53/76/1440835376.db2.gz FSMXNBKOEVLOTE-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CCCC1 ZINC001755367324 1440835377 /nfs/dbraw/zinc/83/53/77/1440835377.db2.gz FSMXNBKOEVLOTE-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@H+]1CCC1CCCC1 ZINC001755367324 1440835378 /nfs/dbraw/zinc/83/53/78/1440835378.db2.gz FSMXNBKOEVLOTE-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001755415680 1440848519 /nfs/dbraw/zinc/84/85/19/1440848519.db2.gz KVALAGWDMVJERF-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001755480928 1440860173 /nfs/dbraw/zinc/86/01/73/1440860173.db2.gz ROMKBACYSDIPSM-CIYDVTBMSA-N 2 1 347.547 3.234 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCCC(C)C)CC1 ZINC001755530561 1440867039 /nfs/dbraw/zinc/86/70/39/1440867039.db2.gz IMIRQIXMUCERFR-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCCC(C)C)CC1 ZINC001755530561 1440867040 /nfs/dbraw/zinc/86/70/40/1440867040.db2.gz IMIRQIXMUCERFR-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCCC(C)C)CC1 ZINC001755530561 1440867041 /nfs/dbraw/zinc/86/70/41/1440867041.db2.gz IMIRQIXMUCERFR-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001755561428 1440874595 /nfs/dbraw/zinc/87/45/95/1440874595.db2.gz UFRGUJABJMHTNI-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001755573484 1440877398 /nfs/dbraw/zinc/87/73/98/1440877398.db2.gz RVTLASIOESKFJQ-RTBURBONSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001755618347 1440889586 /nfs/dbraw/zinc/88/95/86/1440889586.db2.gz KFEMXFANDLRVRQ-KRWDZBQOSA-N 2 1 347.547 3.261 20 0 EGADMP CCc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2CC)c1 ZINC001755619070 1440889884 /nfs/dbraw/zinc/88/98/84/1440889884.db2.gz TXJYLPNHUXJCEO-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP Cc1cc(C)c(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)c(C)c1 ZINC001755692307 1440896922 /nfs/dbraw/zinc/89/69/22/1440896922.db2.gz JKKBPEHORVVTCU-MOPGFXCFSA-N 2 1 345.531 3.031 20 0 EGADMP CCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC001755701786 1440900506 /nfs/dbraw/zinc/90/05/06/1440900506.db2.gz RPRZGMXNUIPVPH-SVFBPWRDSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)CCC[C@H]12 ZINC001755701786 1440900507 /nfs/dbraw/zinc/90/05/07/1440900507.db2.gz RPRZGMXNUIPVPH-SVFBPWRDSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CCC[C@H]12 ZINC001755701786 1440900508 /nfs/dbraw/zinc/90/05/08/1440900508.db2.gz RPRZGMXNUIPVPH-SVFBPWRDSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CC1CC3(CCC3)C1)CC2 ZINC001755704393 1440901934 /nfs/dbraw/zinc/90/19/34/1440901934.db2.gz LCBWVTQLGJOXBP-RXVVDRJESA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@@H]1[N@H+](CC1CC3(CCC3)C1)CC2 ZINC001755704393 1440901935 /nfs/dbraw/zinc/90/19/35/1440901935.db2.gz LCBWVTQLGJOXBP-RXVVDRJESA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC1CC3(CCC3)C1)CC2 ZINC001755704393 1440901936 /nfs/dbraw/zinc/90/19/36/1440901936.db2.gz LCBWVTQLGJOXBP-RXVVDRJESA-N 2 1 347.547 3.022 20 0 EGADMP Cc1cccc(C)c1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001755749612 1440913006 /nfs/dbraw/zinc/91/30/06/1440913006.db2.gz LPXUNBCXDCWTRP-RTBURBONSA-N 2 1 345.531 3.018 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001755850594 1440934805 /nfs/dbraw/zinc/93/48/05/1440934805.db2.gz JBFPGMLIWXYCSQ-MSOLQXFVSA-N 2 1 339.568 3.226 20 0 EGADMP Cc1ccc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)[nH+]c1C ZINC001164856968 720950985 /nfs/dbraw/zinc/95/09/85/720950985.db2.gz DEZASXATDPQYHA-INIZCTEOSA-N 2 1 327.476 3.316 20 0 EGADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3c([nH+]1)CCC3)[C@H]2C ZINC001164859823 720951805 /nfs/dbraw/zinc/95/18/05/720951805.db2.gz NRVHQRANMCBFRW-HNNXBMFYSA-N 2 1 339.487 3.188 20 0 EGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3c([nH+]1)CCC3)[C@H]2C ZINC001164859823 720951819 /nfs/dbraw/zinc/95/18/19/720951819.db2.gz NRVHQRANMCBFRW-HNNXBMFYSA-N 2 1 339.487 3.188 20 0 EGADMP Fc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OCC(F)(F)F ZINC000368316033 168341661 /nfs/dbraw/zinc/34/16/61/168341661.db2.gz DTZRLBYXSOURPJ-UONOGXRCSA-N 2 1 346.368 3.483 20 0 EGADMP Fc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OCC(F)(F)F ZINC000368316033 168341663 /nfs/dbraw/zinc/34/16/63/168341663.db2.gz DTZRLBYXSOURPJ-UONOGXRCSA-N 2 1 346.368 3.483 20 0 EGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000054241509 214226288 /nfs/dbraw/zinc/22/62/88/214226288.db2.gz AXQFBSJPAQKLSM-UKRRQHHQSA-N 2 1 325.294 3.312 20 0 EGADMP CCc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)s1 ZINC000158536130 529706941 /nfs/dbraw/zinc/70/69/41/529706941.db2.gz LCFMHLUNJXDPSO-OAHLLOKOSA-N 2 1 344.528 3.308 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000178095672 232080436 /nfs/dbraw/zinc/08/04/36/232080436.db2.gz OHBXBCOINPXNPR-KBPBESRZSA-N 2 1 328.460 3.135 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCC[NH+]2CC)cc1)C(C)C ZINC000101631678 219148051 /nfs/dbraw/zinc/14/80/51/219148051.db2.gz BKZOJKXPXBPFQW-IBGZPJMESA-N 2 1 331.504 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC)cc1)C(C)C ZINC000101631678 219148053 /nfs/dbraw/zinc/14/80/53/219148053.db2.gz BKZOJKXPXBPFQW-IBGZPJMESA-N 2 1 331.504 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC)cc1)C(C)C ZINC000101631678 219148055 /nfs/dbraw/zinc/14/80/55/219148055.db2.gz BKZOJKXPXBPFQW-IBGZPJMESA-N 2 1 331.504 3.131 20 0 EGADMP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)OCc1ccccc1 ZINC000181492005 234204522 /nfs/dbraw/zinc/20/45/22/234204522.db2.gz WYFKJIIJQIJNJH-UYAOXDASSA-N 2 1 342.483 3.069 20 0 EGADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)OCc1ccccc1 ZINC000181492005 234204529 /nfs/dbraw/zinc/20/45/29/234204529.db2.gz WYFKJIIJQIJNJH-UYAOXDASSA-N 2 1 342.483 3.069 20 0 EGADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)OCc1ccccc1 ZINC000181492005 234204534 /nfs/dbraw/zinc/20/45/34/234204534.db2.gz WYFKJIIJQIJNJH-UYAOXDASSA-N 2 1 342.483 3.069 20 0 EGADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000155106837 295922749 /nfs/dbraw/zinc/92/27/49/295922749.db2.gz DDCGDVPCOGABPR-HOTGVXAUSA-N 2 1 344.528 3.097 20 0 EGADMP Cc1cc2c(cc1C)[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)CCS2 ZINC000187168253 236135481 /nfs/dbraw/zinc/13/54/81/236135481.db2.gz DLCPSJPYPODOSB-LJQANCHMSA-N 2 1 347.572 3.458 20 0 EGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000193881858 240346963 /nfs/dbraw/zinc/34/69/63/240346963.db2.gz IOCHGBAAAXUPCA-XOKHGSTOSA-N 2 1 327.428 3.173 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000236709094 242330209 /nfs/dbraw/zinc/33/02/09/242330209.db2.gz CFEPJQGJQAKCOE-IBGZPJMESA-N 2 1 331.504 3.047 20 0 EGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1nccs1 ZINC000245547627 296123643 /nfs/dbraw/zinc/12/36/43/296123643.db2.gz XQSYXURDTAMWEN-AEFFLSMTSA-N 2 1 344.528 3.173 20 0 EGADMP Cc1ccccc1[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000266459047 248311211 /nfs/dbraw/zinc/31/12/11/248311211.db2.gz PRQWLFGABSCQCA-QFIPXVFZSA-N 2 1 338.495 3.325 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(-c2ccccc2)no1 ZINC000378251434 169092214 /nfs/dbraw/zinc/09/22/14/169092214.db2.gz WNWLILHJXVBYNG-AHRSYUTCSA-N 2 1 341.455 3.025 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(-c2ccccc2)no1 ZINC000378251434 169092216 /nfs/dbraw/zinc/09/22/16/169092216.db2.gz WNWLILHJXVBYNG-AHRSYUTCSA-N 2 1 341.455 3.025 20 0 EGADMP CCOc1c(OC)cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000092043583 218109693 /nfs/dbraw/zinc/10/96/93/218109693.db2.gz MHXGFRYENPQOEG-SJORKVTESA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000092043583 218109696 /nfs/dbraw/zinc/10/96/96/218109696.db2.gz MHXGFRYENPQOEG-SJORKVTESA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000092043583 218109698 /nfs/dbraw/zinc/10/96/98/218109698.db2.gz MHXGFRYENPQOEG-SJORKVTESA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000092043583 218109699 /nfs/dbraw/zinc/10/96/99/218109699.db2.gz MHXGFRYENPQOEG-SJORKVTESA-N 2 1 348.487 3.019 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000093753024 218245669 /nfs/dbraw/zinc/24/56/69/218245669.db2.gz MRGYRIJQBMWHOW-SFHVURJKSA-N 2 1 340.471 3.433 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000093753024 218245673 /nfs/dbraw/zinc/24/56/73/218245673.db2.gz MRGYRIJQBMWHOW-SFHVURJKSA-N 2 1 340.471 3.433 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000093753024 218245675 /nfs/dbraw/zinc/24/56/75/218245675.db2.gz MRGYRIJQBMWHOW-SFHVURJKSA-N 2 1 340.471 3.433 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000093753024 218245678 /nfs/dbraw/zinc/24/56/78/218245678.db2.gz MRGYRIJQBMWHOW-SFHVURJKSA-N 2 1 340.471 3.433 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(SC(F)F)cc1 ZINC000268830456 252280401 /nfs/dbraw/zinc/28/04/01/252280401.db2.gz KKEAWFLDRFHTTO-CYBMUJFWSA-N 2 1 344.471 3.499 20 0 EGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000183557389 533572850 /nfs/dbraw/zinc/57/28/50/533572850.db2.gz URPZLXIUBFCVJM-DLBZAZTESA-N 2 1 348.487 3.009 20 0 EGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000183557389 533572852 /nfs/dbraw/zinc/57/28/52/533572852.db2.gz URPZLXIUBFCVJM-DLBZAZTESA-N 2 1 348.487 3.009 20 0 EGADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)C1 ZINC000246864514 141039376 /nfs/dbraw/zinc/03/93/76/141039376.db2.gz CQLVGNNCXHCXGG-ZSXPUABSSA-N 2 1 329.532 3.359 20 0 EGADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)C1 ZINC000246864514 141039378 /nfs/dbraw/zinc/03/93/78/141039378.db2.gz CQLVGNNCXHCXGG-ZSXPUABSSA-N 2 1 329.532 3.359 20 0 EGADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)C1 ZINC000246864514 141039379 /nfs/dbraw/zinc/03/93/79/141039379.db2.gz CQLVGNNCXHCXGG-ZSXPUABSSA-N 2 1 329.532 3.359 20 0 EGADMP Cn1c2ccc(Cl)cc2nc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246983314 141047665 /nfs/dbraw/zinc/04/76/65/141047665.db2.gz OZHLVIWPZODFQP-XJKSGUPXSA-N 2 1 332.879 3.143 20 0 EGADMP CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000338033407 141077020 /nfs/dbraw/zinc/07/70/20/141077020.db2.gz WZYMLGCBYGBUQU-MRXNPFEDSA-N 2 1 331.504 3.131 20 0 EGADMP CC[N@@H+](CCCC1CC[NH+](C[C@H]2CCCO2)CC1)C[C@@H]1CCCO1 ZINC000346456339 141198737 /nfs/dbraw/zinc/19/87/37/141198737.db2.gz OHINRIYXCKRUIP-VQTJNVASSA-N 2 1 338.536 3.159 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)C1CCSCC1 ZINC000187035447 144150466 /nfs/dbraw/zinc/15/04/66/144150466.db2.gz RMYHVSXAISGJQN-QGZVFWFLSA-N 2 1 347.572 3.055 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCCC[C@H](COC)C2)CC1 ZINC000344883495 144236670 /nfs/dbraw/zinc/23/66/70/144236670.db2.gz CXAOEUKFOFOWMR-IBGZPJMESA-N 2 1 345.531 3.077 20 0 EGADMP Cc1ccc2nc(CNCc3ccccc3Cn3ccnc3)cn2c1 ZINC000341079344 155144339 /nfs/dbraw/zinc/14/43/39/155144339.db2.gz PELSCWHDHGAZOC-UHFFFAOYSA-N 2 1 331.423 3.177 20 0 EGADMP Cc1ccc2nc(CNC[C@H]3CC[N@@H+](Cc4ccccc4)C3)cn2c1 ZINC000341402134 155270910 /nfs/dbraw/zinc/27/09/10/155270910.db2.gz JOEPYFQFHOUAAL-LJQANCHMSA-N 2 1 334.467 3.254 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000341492950 155322311 /nfs/dbraw/zinc/32/23/11/155322311.db2.gz FMNDDQVLLBROEX-IBGZPJMESA-N 2 1 344.547 3.290 20 0 EGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccccc1 ZINC000118949178 152160996 /nfs/dbraw/zinc/16/09/96/152160996.db2.gz BPQXDDVJLGEXQW-PXNSSMCTSA-N 2 1 334.504 3.101 20 0 EGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccccc1 ZINC000118949178 152161003 /nfs/dbraw/zinc/16/10/03/152161003.db2.gz BPQXDDVJLGEXQW-PXNSSMCTSA-N 2 1 334.504 3.101 20 0 EGADMP CCN(C)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000191579930 153207149 /nfs/dbraw/zinc/20/71/49/153207149.db2.gz KWRLNTFAACJLER-SJLPKXTDSA-N 2 1 330.520 3.280 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000192723282 153256498 /nfs/dbraw/zinc/25/64/98/153256498.db2.gz ZCMFSTHKAIQRPP-JOCHJYFZSA-N 2 1 343.559 3.500 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1O ZINC000192933815 153268763 /nfs/dbraw/zinc/26/87/63/153268763.db2.gz WJQKQJDKDIPMJM-GOSISDBHSA-N 2 1 326.440 3.013 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000192933815 153268766 /nfs/dbraw/zinc/26/87/66/153268766.db2.gz WJQKQJDKDIPMJM-GOSISDBHSA-N 2 1 326.440 3.013 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC(F)F)cc1 ZINC000303226713 154039948 /nfs/dbraw/zinc/03/99/48/154039948.db2.gz POMCQRJLEOFKIU-ZBFHGGJFSA-N 2 1 342.430 3.031 20 0 EGADMP [NH3+]CCCOC1CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000321792241 154168797 /nfs/dbraw/zinc/16/87/97/154168797.db2.gz WQKDXCLFNAMONY-UHFFFAOYSA-N 2 1 348.821 3.271 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000337403360 154334379 /nfs/dbraw/zinc/33/43/79/154334379.db2.gz RYYSZDQHUFFUBW-SZMVWBNQSA-N 2 1 332.488 3.160 20 0 EGADMP COc1ccc(C[N@H+](CC[C@@H]2CCC[NH+]2C)CC2CC2)c(OC)c1 ZINC000337440207 154353625 /nfs/dbraw/zinc/35/36/25/154353625.db2.gz JHASYIQQYDABOZ-SFHVURJKSA-N 2 1 332.488 3.400 20 0 EGADMP COc1ccc(C[N@@H+](CC[C@@H]2CCC[NH+]2C)CC2CC2)c(OC)c1 ZINC000337440207 154353629 /nfs/dbraw/zinc/35/36/29/154353629.db2.gz JHASYIQQYDABOZ-SFHVURJKSA-N 2 1 332.488 3.400 20 0 EGADMP COc1ccc(C[NH+](CC[C@@H]2CCC[N@@H+]2C)CC2CC2)c(OC)c1 ZINC000337440207 154353630 /nfs/dbraw/zinc/35/36/30/154353630.db2.gz JHASYIQQYDABOZ-SFHVURJKSA-N 2 1 332.488 3.400 20 0 EGADMP COc1ccc(C[NH+](CC[C@@H]2CCC[N@H+]2C)CC2CC2)c(OC)c1 ZINC000337440207 154353634 /nfs/dbraw/zinc/35/36/34/154353634.db2.gz JHASYIQQYDABOZ-SFHVURJKSA-N 2 1 332.488 3.400 20 0 EGADMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(Cl)s3)CC2)CC1 ZINC000341001823 155121632 /nfs/dbraw/zinc/12/16/32/155121632.db2.gz CBRPDJVRUNNTAC-UHFFFAOYSA-N 2 1 341.952 3.392 20 0 EGADMP C[C@H]1CC[C@@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000345313669 156051736 /nfs/dbraw/zinc/05/17/36/156051736.db2.gz RGYMUOJNQMDGQS-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc(Cl)c1OC ZINC000346818579 156150429 /nfs/dbraw/zinc/15/04/29/156150429.db2.gz GVQFNKOQDYJGMX-DZKIICNBSA-N 2 1 338.879 3.307 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc(Cl)c1OC ZINC000346818579 156150433 /nfs/dbraw/zinc/15/04/33/156150433.db2.gz GVQFNKOQDYJGMX-DZKIICNBSA-N 2 1 338.879 3.307 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C[C@@H]21 ZINC000346845185 156161185 /nfs/dbraw/zinc/16/11/85/156161185.db2.gz ZSXDEFACSRYTKP-FHLIZLRMSA-N 2 1 330.863 3.085 20 0 EGADMP CCCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346849019 156163584 /nfs/dbraw/zinc/16/35/84/156163584.db2.gz GFHOXCSVAYFJQC-RCCFBDPRSA-N 2 1 332.488 3.433 20 0 EGADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000346967416 156220704 /nfs/dbraw/zinc/22/07/04/156220704.db2.gz DSCBBUQVUGONTL-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000346967416 156220706 /nfs/dbraw/zinc/22/07/06/156220706.db2.gz DSCBBUQVUGONTL-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000346967416 156220708 /nfs/dbraw/zinc/22/07/08/156220708.db2.gz DSCBBUQVUGONTL-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000346967416 156220710 /nfs/dbraw/zinc/22/07/10/156220710.db2.gz DSCBBUQVUGONTL-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000347002264 156240771 /nfs/dbraw/zinc/24/07/71/156240771.db2.gz IMWDWLKTWAJVBN-GOSISDBHSA-N 2 1 334.467 3.457 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2c[nH]c3nccnc23)[C@H]1c1ccccc1 ZINC000365664664 157211071 /nfs/dbraw/zinc/21/10/71/157211071.db2.gz WJLNJLMRSGASQB-VQIMIIECSA-N 2 1 335.455 3.082 20 0 EGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000092796518 161983904 /nfs/dbraw/zinc/98/39/04/161983904.db2.gz SXDIEBFDQHOXAX-UYAOXDASSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]CCC[NH+]3C[C@@H](C)C[C@H](C)C3)c(C)n2n1 ZINC000093398467 162008970 /nfs/dbraw/zinc/00/89/70/162008970.db2.gz HYYJWUJJMMMEMT-YQQAZPJKSA-N 2 1 343.519 3.365 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000123878219 162257940 /nfs/dbraw/zinc/25/79/40/162257940.db2.gz PPJHXOLNNGLQQJ-QUCCMNQESA-N 2 1 345.531 3.278 20 0 EGADMP C[NH+]1CCC(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000125362500 162271451 /nfs/dbraw/zinc/27/14/51/162271451.db2.gz GWIYVWLVKJHCQX-UHFFFAOYSA-N 3 1 347.522 3.154 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CC2 ZINC000248463328 163007766 /nfs/dbraw/zinc/00/77/66/163007766.db2.gz YXCRNNRIECZAAF-IFMALSPDSA-N 2 1 336.479 3.339 20 0 EGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC12CCCC2 ZINC000248969026 163048273 /nfs/dbraw/zinc/04/82/73/163048273.db2.gz CDDWWRIFZWHSCO-VQTJNVASSA-N 2 1 328.500 3.456 20 0 EGADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCCC(C)(C)C)CC2)C[C@H](C)O1 ZINC000337192312 163157996 /nfs/dbraw/zinc/15/79/96/163157996.db2.gz UNWIKKHPZYDODX-ROUUACIJSA-N 2 1 340.552 3.403 20 0 EGADMP CC(C)OCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338327947 163211435 /nfs/dbraw/zinc/21/14/35/163211435.db2.gz PREYJYZKUKKYQK-VQTJNVASSA-N 2 1 348.531 3.053 20 0 EGADMP CC(C)OCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338327947 163211437 /nfs/dbraw/zinc/21/14/37/163211437.db2.gz PREYJYZKUKKYQK-VQTJNVASSA-N 2 1 348.531 3.053 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCc4cccnc4)cc3)C[C@@H]21 ZINC000342091852 163782897 /nfs/dbraw/zinc/78/28/97/163782897.db2.gz CXRKVVKJGAACOX-HLAWJBBLSA-N 2 1 337.467 3.220 20 0 EGADMP Cc1nc2c(c(N(C)CCC[N@@H+](C)Cc3ccco3)n1)CCCC2 ZINC000343807524 164039206 /nfs/dbraw/zinc/03/92/06/164039206.db2.gz LDGVISMLMPKEQU-UHFFFAOYSA-N 2 1 328.460 3.215 20 0 EGADMP COc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000343817063 164041862 /nfs/dbraw/zinc/04/18/62/164041862.db2.gz UTHAPBRDVFMDAZ-GASCZTMLSA-N 2 1 340.895 3.328 20 0 EGADMP O=C(NCCC[NH2+]C1CCCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000345849490 164278821 /nfs/dbraw/zinc/27/88/21/164278821.db2.gz MNPDYKQNJISBFH-HXUWFJFHSA-N 2 1 343.515 3.080 20 0 EGADMP C[N@@H+](CCOc1ccc(F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354875124 166053396 /nfs/dbraw/zinc/05/33/96/166053396.db2.gz KIJORJMUHHCCMS-UHFFFAOYSA-N 2 1 343.446 3.448 20 0 EGADMP CCN(C[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1)CC(F)(F)F ZINC000351327387 165097005 /nfs/dbraw/zinc/09/70/05/165097005.db2.gz KVJXCJIHUGJDPJ-HZPDHXFCSA-N 2 1 335.458 3.067 20 0 EGADMP CCN(C[C@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1)CC(F)(F)F ZINC000351327387 165097009 /nfs/dbraw/zinc/09/70/09/165097009.db2.gz KVJXCJIHUGJDPJ-HZPDHXFCSA-N 2 1 335.458 3.067 20 0 EGADMP CCN(C[C@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1)CC(F)(F)F ZINC000351327387 165097012 /nfs/dbraw/zinc/09/70/12/165097012.db2.gz KVJXCJIHUGJDPJ-HZPDHXFCSA-N 2 1 335.458 3.067 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000352148423 165258599 /nfs/dbraw/zinc/25/85/99/165258599.db2.gz LLIHRNHWYAQBCW-KRWDZBQOSA-N 2 1 346.450 3.103 20 0 EGADMP COc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c(Cl)c1OC ZINC000355036900 166090866 /nfs/dbraw/zinc/09/08/66/166090866.db2.gz JOXXQFOZCJREBV-UHFFFAOYSA-N 2 1 338.879 3.417 20 0 EGADMP COc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)c(Cl)c1OC ZINC000355036900 166090869 /nfs/dbraw/zinc/09/08/69/166090869.db2.gz JOXXQFOZCJREBV-UHFFFAOYSA-N 2 1 338.879 3.417 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C[C@H]2CCC[NH+]2CC)cc1)C1CC1 ZINC000352336385 165350790 /nfs/dbraw/zinc/35/07/90/165350790.db2.gz RGYMHGNUONUSTQ-HXUWFJFHSA-N 2 1 343.515 3.227 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)cc1)C1CC1 ZINC000352336385 165350794 /nfs/dbraw/zinc/35/07/94/165350794.db2.gz RGYMHGNUONUSTQ-HXUWFJFHSA-N 2 1 343.515 3.227 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+]2CC)cc1)C1CC1 ZINC000352336385 165350799 /nfs/dbraw/zinc/35/07/99/165350799.db2.gz RGYMHGNUONUSTQ-HXUWFJFHSA-N 2 1 343.515 3.227 20 0 EGADMP COc1ccccc1C[N@@H+](CCC1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000359195395 167092282 /nfs/dbraw/zinc/09/22/82/167092282.db2.gz SKBCKMXLWGBLLY-IBGZPJMESA-N 2 1 332.488 3.066 20 0 EGADMP CC(C)(C)c1csc([C@@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)n1 ZINC000359197845 167093044 /nfs/dbraw/zinc/09/30/44/167093044.db2.gz VPWWDIQPEGFGIB-HNNXBMFYSA-N 2 1 337.533 3.204 20 0 EGADMP CC(C)(C)c1csc([C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)n1 ZINC000359197845 167093047 /nfs/dbraw/zinc/09/30/47/167093047.db2.gz VPWWDIQPEGFGIB-HNNXBMFYSA-N 2 1 337.533 3.204 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(F)cn1 ZINC000359224525 167100410 /nfs/dbraw/zinc/10/04/10/167100410.db2.gz FAYMTGYWIJKIDC-BEFAXECRSA-N 2 1 343.446 3.028 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(F)cn1 ZINC000359224525 167100411 /nfs/dbraw/zinc/10/04/11/167100411.db2.gz FAYMTGYWIJKIDC-BEFAXECRSA-N 2 1 343.446 3.028 20 0 EGADMP Cn1cc(C[N@H+](CCC[NH3+])Cc2ccccc2)c(-c2cccs2)n1 ZINC000359460706 167162948 /nfs/dbraw/zinc/16/29/48/167162948.db2.gz SFAKZQDZXNQVHS-UHFFFAOYSA-N 2 1 340.496 3.500 20 0 EGADMP Cn1cc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c(-c2cccs2)n1 ZINC000359460706 167162951 /nfs/dbraw/zinc/16/29/51/167162951.db2.gz SFAKZQDZXNQVHS-UHFFFAOYSA-N 2 1 340.496 3.500 20 0 EGADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000359462521 167163578 /nfs/dbraw/zinc/16/35/78/167163578.db2.gz WRNVVYVINZAKOA-CALCHBBNSA-N 2 1 348.450 3.092 20 0 EGADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000359462521 167163579 /nfs/dbraw/zinc/16/35/79/167163579.db2.gz WRNVVYVINZAKOA-CALCHBBNSA-N 2 1 348.450 3.092 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1C ZINC000359867340 167253297 /nfs/dbraw/zinc/25/32/97/167253297.db2.gz BWKMXYFQXITTLV-FUHWJXTLSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1C ZINC000359867340 167253300 /nfs/dbraw/zinc/25/33/00/167253300.db2.gz BWKMXYFQXITTLV-FUHWJXTLSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1C ZINC000359867340 167253303 /nfs/dbraw/zinc/25/33/03/167253303.db2.gz BWKMXYFQXITTLV-FUHWJXTLSA-N 2 1 337.552 3.076 20 0 EGADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000366921946 168157498 /nfs/dbraw/zinc/15/74/98/168157498.db2.gz LGSUDXWQPVITBW-CQSZACIVSA-N 2 1 339.361 3.351 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@@H]21 ZINC000367625243 168252194 /nfs/dbraw/zinc/25/21/94/168252194.db2.gz XLHCVMUNXABDJB-SQNIBIBYSA-N 2 1 349.519 3.016 20 0 EGADMP C[N@H+]1CC[C@]2(CCN(Cc3coc(-c4ccc(F)c(F)c4)n3)C2)C1 ZINC000367851065 168277557 /nfs/dbraw/zinc/27/75/57/168277557.db2.gz UDOGLLJJYIBIGX-SFHVURJKSA-N 2 1 333.382 3.147 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000122454893 222090674 /nfs/dbraw/zinc/09/06/74/222090674.db2.gz IHKNWSJFQVNVNR-VCBZYWHSSA-N 2 1 329.488 3.244 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000122454893 222090677 /nfs/dbraw/zinc/09/06/77/222090677.db2.gz IHKNWSJFQVNVNR-VCBZYWHSSA-N 2 1 329.488 3.244 20 0 EGADMP C[NH+](C)CCCC1CC[NH+](Cc2nc(Cc3ccccc3)no2)CC1 ZINC000123624529 222306764 /nfs/dbraw/zinc/30/67/64/222306764.db2.gz NKIHWGYDXTUXIH-UHFFFAOYSA-N 2 1 342.487 3.214 20 0 EGADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)ccc1OC(F)F ZINC000124146387 222382218 /nfs/dbraw/zinc/38/22/18/222382218.db2.gz GIFWQSUVMYGHLI-CQSZACIVSA-N 2 1 328.403 3.118 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C/C=C/c3ccc(Cl)cc3)C2)CC1 ZINC000179475116 265380239 /nfs/dbraw/zinc/38/02/39/265380239.db2.gz CZNSGDWKDCKPLC-GNAXCBTBSA-N 2 1 333.907 3.065 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000180206704 265398497 /nfs/dbraw/zinc/39/84/97/265398497.db2.gz GEXIHEOEHWKLBY-BRWVUGGUSA-N 2 1 339.524 3.001 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000236877454 266218960 /nfs/dbraw/zinc/21/89/60/266218960.db2.gz FHJOWQVQEBFLNY-OALUTQOASA-N 2 1 331.504 3.052 20 0 EGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cc(Br)ccc1F ZINC000258975424 266264448 /nfs/dbraw/zinc/26/44/48/266264448.db2.gz KPFFSQHENMRXIG-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP COc1ccc(Br)c(C[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000269633502 266329923 /nfs/dbraw/zinc/32/99/23/266329923.db2.gz VJGSMGYFMMEMJW-UHFFFAOYSA-N 2 1 338.249 3.143 20 0 EGADMP C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274884337 267302143 /nfs/dbraw/zinc/30/21/43/267302143.db2.gz IBLPTXFZOZWVSS-HQRMLTQVSA-N 2 1 344.524 3.456 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000274900640 267304093 /nfs/dbraw/zinc/30/40/93/267304093.db2.gz LDSWFPSGEAUCBA-ZNMIVQPWSA-N 2 1 325.884 3.275 20 0 EGADMP C[C@H](N[C@H]1c2ccccc2C[C@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274953338 267310672 /nfs/dbraw/zinc/31/06/72/267310672.db2.gz VNHMGPUCMXQCGO-MQYXYMALSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274953338 267310674 /nfs/dbraw/zinc/31/06/74/267310674.db2.gz VNHMGPUCMXQCGO-MQYXYMALSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@H]([NH2+]CCc1cn2ccccc2n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274950310 267310782 /nfs/dbraw/zinc/31/07/82/267310782.db2.gz UZVBCWPXAFYZSD-AZUAARDMSA-N 3 1 348.494 3.377 20 0 EGADMP C[C@H]([NH2+]CCCNc1ccccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274974817 267314058 /nfs/dbraw/zinc/31/40/58/267314058.db2.gz YLMHNZOONYRMJL-AZUAARDMSA-N 2 1 338.499 3.384 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H](NCc2cc(F)ccc2OC)[C@@H](C)C1 ZINC000275279579 267340454 /nfs/dbraw/zinc/34/04/54/267340454.db2.gz DMPNIKAIXOTKDK-MAUKXSAKSA-N 2 1 338.467 3.061 20 0 EGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278460907 268018893 /nfs/dbraw/zinc/01/88/93/268018893.db2.gz JCMPRIULDNIWBT-JXFKEZNVSA-N 2 1 332.488 3.163 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000268846611 274861112 /nfs/dbraw/zinc/86/11/12/274861112.db2.gz JBFDSTKIWUYGNP-UHFFFAOYSA-N 2 1 338.455 3.004 20 0 EGADMP Cc1nc(CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cs1 ZINC000278974884 275292748 /nfs/dbraw/zinc/29/27/48/275292748.db2.gz YICNZWJGXLRQSB-UHFFFAOYSA-N 2 1 330.501 3.406 20 0 EGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000280786119 275495574 /nfs/dbraw/zinc/49/55/74/275495574.db2.gz HEWSRJLABYRMTN-AWEZNQCLSA-N 2 1 344.421 3.337 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352056451 276044005 /nfs/dbraw/zinc/04/40/05/276044005.db2.gz CNYQAMJXHWIGIO-UXHICEINSA-N 2 1 345.531 3.134 20 0 EGADMP O[C@H](Cc1cccc(Cl)c1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000287925516 276169622 /nfs/dbraw/zinc/16/96/22/276169622.db2.gz WLIGLKZDEWJLMM-RBUKOAKNSA-N 2 1 336.907 3.194 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000289369351 276329105 /nfs/dbraw/zinc/32/91/05/276329105.db2.gz OZDHMFCPOOSOTN-UHFFFAOYSA-N 2 1 332.879 3.447 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000289369351 276329107 /nfs/dbraw/zinc/32/91/07/276329107.db2.gz OZDHMFCPOOSOTN-UHFFFAOYSA-N 2 1 332.879 3.447 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccccc1OC1CCCC1 ZINC000289509656 276350061 /nfs/dbraw/zinc/35/00/61/276350061.db2.gz UMXYFJCJUPSWRE-UHFFFAOYSA-N 2 1 345.531 3.077 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1cccc2nccn21 ZINC000289539831 276354888 /nfs/dbraw/zinc/35/48/88/276354888.db2.gz WSXNFYPFAZORCC-IBGZPJMESA-N 2 1 349.482 3.216 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1nccc2ccccc21 ZINC000289544881 276355949 /nfs/dbraw/zinc/35/59/49/276355949.db2.gz BUJLPBQAQHUFAO-FUHWJXTLSA-N 2 1 327.472 3.122 20 0 EGADMP COC(=O)CCCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000289707148 276381353 /nfs/dbraw/zinc/38/13/53/276381353.db2.gz GLPOVBUCFKJQQK-HSALFYBXSA-N 2 1 344.499 3.220 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000174560439 279044844 /nfs/dbraw/zinc/04/48/44/279044844.db2.gz WPXWXMKJFHCPHG-QUCCMNQESA-N 2 1 343.515 3.014 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373517977 288102319 /nfs/dbraw/zinc/10/23/19/288102319.db2.gz FKCXTDCYWDASPV-WICCELJUSA-N 2 1 347.469 3.110 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373517977 288102321 /nfs/dbraw/zinc/10/23/21/288102321.db2.gz FKCXTDCYWDASPV-WICCELJUSA-N 2 1 347.469 3.110 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373517977 288102324 /nfs/dbraw/zinc/10/23/24/288102324.db2.gz FKCXTDCYWDASPV-WICCELJUSA-N 2 1 347.469 3.110 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358264089 280326408 /nfs/dbraw/zinc/32/64/08/280326408.db2.gz YIANJVZYGUYDEQ-HOTGVXAUSA-N 2 1 330.394 3.059 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358264089 280326411 /nfs/dbraw/zinc/32/64/11/280326411.db2.gz YIANJVZYGUYDEQ-HOTGVXAUSA-N 2 1 330.394 3.059 20 0 EGADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)ccc1OC(F)F ZINC000068722696 307371962 /nfs/dbraw/zinc/37/19/62/307371962.db2.gz SVKBIVSYKQKCPF-CQSZACIVSA-N 2 1 328.403 3.118 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000073554482 307386721 /nfs/dbraw/zinc/38/67/21/307386721.db2.gz MWINWDGEODSHLV-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000414191390 309065901 /nfs/dbraw/zinc/06/59/01/309065901.db2.gz RWADOOYMOKKBHO-PWIZWCRZSA-N 2 1 344.499 3.490 20 0 EGADMP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000414337589 309073792 /nfs/dbraw/zinc/07/37/92/309073792.db2.gz DQNUQVZVWIGVBW-ZTFGCOKTSA-N 2 1 329.463 3.465 20 0 EGADMP C[C@H](NCC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248540130 308005319 /nfs/dbraw/zinc/00/53/19/308005319.db2.gz BDCPHUGGDOMAGZ-LXZJYRNTSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248540130 308005320 /nfs/dbraw/zinc/00/53/20/308005320.db2.gz BDCPHUGGDOMAGZ-LXZJYRNTSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248540130 308005321 /nfs/dbraw/zinc/00/53/21/308005321.db2.gz BDCPHUGGDOMAGZ-LXZJYRNTSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248564189 308005893 /nfs/dbraw/zinc/00/58/93/308005893.db2.gz KIHHRYGCOMLWJQ-GJNTUIEKSA-N 2 1 349.563 3.170 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248564189 308005894 /nfs/dbraw/zinc/00/58/94/308005894.db2.gz KIHHRYGCOMLWJQ-GJNTUIEKSA-N 2 1 349.563 3.170 20 0 EGADMP COc1ccsc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248648986 308008594 /nfs/dbraw/zinc/00/85/94/308008594.db2.gz VDXWFRSXFWLYPD-RHSMWYFYSA-N 2 1 346.496 3.174 20 0 EGADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cnn1C(C)C ZINC000248703686 308009644 /nfs/dbraw/zinc/00/96/44/308009644.db2.gz NSSVGFAWKNQNLV-RYGJVYDSSA-N 2 1 348.535 3.191 20 0 EGADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000248984910 308016196 /nfs/dbraw/zinc/01/61/96/308016196.db2.gz JREYLVSPLPEKGR-IEZWGBDMSA-N 2 1 334.479 3.429 20 0 EGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1F ZINC000248984910 308016197 /nfs/dbraw/zinc/01/61/97/308016197.db2.gz JREYLVSPLPEKGR-IEZWGBDMSA-N 2 1 334.479 3.429 20 0 EGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1F ZINC000248984910 308016198 /nfs/dbraw/zinc/01/61/98/308016198.db2.gz JREYLVSPLPEKGR-IEZWGBDMSA-N 2 1 334.479 3.429 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255163358 308042380 /nfs/dbraw/zinc/04/23/80/308042380.db2.gz SZUKNCCRXVAHOE-ZNIXBBRXSA-N 2 1 327.516 3.190 20 0 EGADMP C[C@@H](c1nc(-c2ccccc2)no1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292997971 308088440 /nfs/dbraw/zinc/08/84/40/308088440.db2.gz OPCXNDYAGYLGFK-HNAYVOBHSA-N 2 1 326.444 3.215 20 0 EGADMP COCCCOc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000293574519 308142977 /nfs/dbraw/zinc/14/29/77/308142977.db2.gz HHEACHGQFSYVKN-HXUWFJFHSA-N 2 1 332.488 3.020 20 0 EGADMP COCCCOc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000293574519 308142978 /nfs/dbraw/zinc/14/29/78/308142978.db2.gz HHEACHGQFSYVKN-HXUWFJFHSA-N 2 1 332.488 3.020 20 0 EGADMP COCCCOc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293574519 308142979 /nfs/dbraw/zinc/14/29/79/308142979.db2.gz HHEACHGQFSYVKN-HXUWFJFHSA-N 2 1 332.488 3.020 20 0 EGADMP COCCCOc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293574519 308142981 /nfs/dbraw/zinc/14/29/81/308142981.db2.gz HHEACHGQFSYVKN-HXUWFJFHSA-N 2 1 332.488 3.020 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCCN[C@@H](c2nc[nH]n2)c2ccc(F)cc2)C1 ZINC000293670230 308151169 /nfs/dbraw/zinc/15/11/69/308151169.db2.gz JRXZUESHZBQLPX-CRAIPNDOSA-N 2 1 345.466 3.135 20 0 EGADMP Cc1nnsc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000293854457 308168081 /nfs/dbraw/zinc/16/80/81/308168081.db2.gz XLTLXLNAXLYDGT-KZNAEPCWSA-N 2 1 342.512 3.237 20 0 EGADMP Cc1nnsc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000293854457 308168082 /nfs/dbraw/zinc/16/80/82/308168082.db2.gz XLTLXLNAXLYDGT-KZNAEPCWSA-N 2 1 342.512 3.237 20 0 EGADMP CO[C@@](C)([C@H](C)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C1CC1 ZINC000414500245 309084821 /nfs/dbraw/zinc/08/48/21/309084821.db2.gz KZXSCDYTJMYXCM-UGSOOPFHSA-N 2 1 337.533 3.203 20 0 EGADMP CO[C@@](C)([C@H](C)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C1CC1 ZINC000414500245 309084822 /nfs/dbraw/zinc/08/48/22/309084822.db2.gz KZXSCDYTJMYXCM-UGSOOPFHSA-N 2 1 337.533 3.203 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)CC1 ZINC000293884954 308170865 /nfs/dbraw/zinc/17/08/65/308170865.db2.gz VOWVESXQNZQYJD-OAHLLOKOSA-N 2 1 331.460 3.168 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCCOC2=O)cc1 ZINC000293903378 308172620 /nfs/dbraw/zinc/17/26/20/308172620.db2.gz WOEMDOQCKXCCKP-KFKAGJAMSA-N 2 1 343.471 3.311 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N2CCCOC2=O)cc1 ZINC000293903378 308172621 /nfs/dbraw/zinc/17/26/21/308172621.db2.gz WOEMDOQCKXCCKP-KFKAGJAMSA-N 2 1 343.471 3.311 20 0 EGADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294921580 308271841 /nfs/dbraw/zinc/27/18/41/308271841.db2.gz FRIRQLNZOMNTID-HHXCZETCSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294921580 308271842 /nfs/dbraw/zinc/27/18/42/308271842.db2.gz FRIRQLNZOMNTID-HHXCZETCSA-N 3 1 327.516 3.112 20 0 EGADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294921580 308271843 /nfs/dbraw/zinc/27/18/43/308271843.db2.gz FRIRQLNZOMNTID-HHXCZETCSA-N 3 1 327.516 3.112 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294921580 308271844 /nfs/dbraw/zinc/27/18/44/308271844.db2.gz FRIRQLNZOMNTID-HHXCZETCSA-N 3 1 327.516 3.112 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294921580 308271845 /nfs/dbraw/zinc/27/18/45/308271845.db2.gz FRIRQLNZOMNTID-HHXCZETCSA-N 3 1 327.516 3.112 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294921580 308271847 /nfs/dbraw/zinc/27/18/47/308271847.db2.gz FRIRQLNZOMNTID-HHXCZETCSA-N 3 1 327.516 3.112 20 0 EGADMP CCOc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(Cl)c1OC ZINC000294978250 308278392 /nfs/dbraw/zinc/27/83/92/308278392.db2.gz JOBWIBCETJBYLZ-GOOCMWNKSA-N 2 1 338.879 3.462 20 0 EGADMP CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(Cl)c1OC ZINC000294978250 308278393 /nfs/dbraw/zinc/27/83/93/308278393.db2.gz JOBWIBCETJBYLZ-GOOCMWNKSA-N 2 1 338.879 3.462 20 0 EGADMP CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(Cl)c1OC ZINC000294978250 308278394 /nfs/dbraw/zinc/27/83/94/308278394.db2.gz JOBWIBCETJBYLZ-GOOCMWNKSA-N 2 1 338.879 3.462 20 0 EGADMP CSc1ccc([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000295053634 308285874 /nfs/dbraw/zinc/28/58/74/308285874.db2.gz QMXICCLGONCIOW-SCTDSRPQSA-N 2 1 333.545 3.228 20 0 EGADMP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CC[NH2+]1 ZINC000414703923 309096291 /nfs/dbraw/zinc/09/62/91/309096291.db2.gz YRVFPWXNPSVIRA-IGCXYCKISA-N 2 1 326.843 3.241 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CC[NH2+]1 ZINC000414703923 309096292 /nfs/dbraw/zinc/09/62/92/309096292.db2.gz YRVFPWXNPSVIRA-IGCXYCKISA-N 2 1 326.843 3.241 20 0 EGADMP C[C@H]1C[C@@H](C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000414716125 309096978 /nfs/dbraw/zinc/09/69/78/309096978.db2.gz ZJPDNCZMVIZGIS-JSGCOSHPSA-N 2 1 331.287 3.176 20 0 EGADMP COc1cccc(C[N@@H+](C[C@@H]2CCCO2)C[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414686139 309095376 /nfs/dbraw/zinc/09/53/76/309095376.db2.gz FLDZETXCDHINTA-HQRMLTQVSA-N 2 1 332.488 3.064 20 0 EGADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)C(=O)Nc1ccccc1C ZINC000414751105 309098770 /nfs/dbraw/zinc/09/87/70/309098770.db2.gz ZSPZFAVNIVRTMW-KZNAEPCWSA-N 2 1 331.504 3.422 20 0 EGADMP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414775211 309100075 /nfs/dbraw/zinc/10/00/75/309100075.db2.gz GHMGZVALZGPIGI-GJZGRUSLSA-N 2 1 328.435 3.037 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCCc2c(F)cccc2Cl)CC12CCOCC2 ZINC000414773153 309099897 /nfs/dbraw/zinc/09/98/97/309099897.db2.gz DBODIVAEEYSQDU-AWEZNQCLSA-N 2 1 340.870 3.099 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(OC(F)F)c1 ZINC000414776662 309100223 /nfs/dbraw/zinc/10/02/23/309100223.db2.gz HIOCXARPMZEYBZ-KGLIPLIRSA-N 2 1 340.414 3.118 20 0 EGADMP Fc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414779912 309100641 /nfs/dbraw/zinc/10/06/41/309100641.db2.gz KXAQDUGHTMYNGU-STQMWFEESA-N 2 1 341.268 3.410 20 0 EGADMP Fc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414783235 309100731 /nfs/dbraw/zinc/10/07/31/309100731.db2.gz PRSZYGLLJDJRTI-DLBZAZTESA-N 2 1 331.479 3.247 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC12CCOCC2 ZINC000414782244 309100744 /nfs/dbraw/zinc/10/07/44/309100744.db2.gz OCHAAUVFBDGYIO-CYBMUJFWSA-N 2 1 346.368 3.032 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC12CCOCC2 ZINC000414782244 309100745 /nfs/dbraw/zinc/10/07/45/309100745.db2.gz OCHAAUVFBDGYIO-CYBMUJFWSA-N 2 1 346.368 3.032 20 0 EGADMP FC(F)(F)COc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414783148 309100873 /nfs/dbraw/zinc/10/08/73/309100873.db2.gz PKYGXQLSGJRLTR-HZPDHXFCSA-N 2 1 342.405 3.449 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2Cl)CC12CCOCC2 ZINC000414787138 309101191 /nfs/dbraw/zinc/10/11/91/309101191.db2.gz VAFJTUPYTPFWER-CYBMUJFWSA-N 2 1 329.271 3.181 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2Cl)CC12CCOCC2 ZINC000414787138 309101192 /nfs/dbraw/zinc/10/11/92/309101192.db2.gz VAFJTUPYTPFWER-CYBMUJFWSA-N 2 1 329.271 3.181 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Cl)c(Cl)c2)CC12CCOCC2 ZINC000414788782 309101236 /nfs/dbraw/zinc/10/12/36/309101236.db2.gz NIGUCBKGWTUDGV-CYBMUJFWSA-N 2 1 329.271 3.181 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(Cl)c2)CC12CCOCC2 ZINC000414788782 309101237 /nfs/dbraw/zinc/10/12/37/309101237.db2.gz NIGUCBKGWTUDGV-CYBMUJFWSA-N 2 1 329.271 3.181 20 0 EGADMP CC(C)CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414796880 309102170 /nfs/dbraw/zinc/10/21/70/309102170.db2.gz XTYKEASRPYWASX-IBGZPJMESA-N 2 1 346.515 3.299 20 0 EGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414854790 309105825 /nfs/dbraw/zinc/10/58/25/309105825.db2.gz VMOCXGOXNKGYRQ-RHSMWYFYSA-N 2 1 339.911 3.040 20 0 EGADMP C[C@H](C[NH3+])[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000414934184 309109932 /nfs/dbraw/zinc/10/99/32/309109932.db2.gz VBKZSKSSZLPFNB-NEPJUHHUSA-N 2 1 337.261 3.306 20 0 EGADMP CCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414958226 309111410 /nfs/dbraw/zinc/11/14/10/309111410.db2.gz WKAQJISEWFBBER-SWLSCSKDSA-N 2 1 341.293 3.468 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc(Cl)c1OC ZINC000414979116 309112660 /nfs/dbraw/zinc/11/26/60/309112660.db2.gz UXTSJVOTOVREKQ-OAHLLOKOSA-N 2 1 326.868 3.225 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000414998617 309113490 /nfs/dbraw/zinc/11/34/90/309113490.db2.gz IIFHHNNFNQEERV-XIYVOTBMSA-N 3 1 327.516 3.004 20 0 EGADMP Clc1cccnc1OCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415086789 309119287 /nfs/dbraw/zinc/11/92/87/309119287.db2.gz KFNBIRNQEKKRGX-NVXWUHKLSA-N 2 1 331.847 3.197 20 0 EGADMP CCn1c2ccccc2c2cc(C[N@H+]3CCCO[C@H](C[NH3+])C3)ccc21 ZINC000415115050 309121329 /nfs/dbraw/zinc/12/13/29/309121329.db2.gz TXIZNKHXVKEPOR-QGZVFWFLSA-N 2 1 337.467 3.364 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NCC[N@H+]2CCCC[C@@H]2CC)c1 ZINC000415909357 309147851 /nfs/dbraw/zinc/14/78/51/309147851.db2.gz SUVDYELMLDUSMZ-SFHVURJKSA-N 2 1 332.492 3.182 20 0 EGADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000415956845 309151187 /nfs/dbraw/zinc/15/11/87/309151187.db2.gz OUSMFUOQAIDLAM-GOSISDBHSA-N 2 1 344.503 3.182 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415970150 309151845 /nfs/dbraw/zinc/15/18/45/309151845.db2.gz HHSXBAIETQXYMB-MRXNPFEDSA-N 2 1 332.492 3.040 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415973637 309152232 /nfs/dbraw/zinc/15/22/32/309152232.db2.gz PDBKTWRQOPEBAJ-SFHVURJKSA-N 2 1 332.492 3.182 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420286182 309279336 /nfs/dbraw/zinc/27/93/36/309279336.db2.gz FTSISYFFVWAAQG-UONOGXRCSA-N 2 1 330.428 3.169 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420286182 309279337 /nfs/dbraw/zinc/27/93/37/309279337.db2.gz FTSISYFFVWAAQG-UONOGXRCSA-N 2 1 330.428 3.169 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2ccccc2OC)C2CC2)cc1 ZINC000420298718 309280180 /nfs/dbraw/zinc/28/01/80/309280180.db2.gz FWPSCAFISKRZAO-GOSISDBHSA-N 2 1 340.467 3.411 20 0 EGADMP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC[C@@H]1CCC[NH2+]C1 ZINC000420299062 309280285 /nfs/dbraw/zinc/28/02/85/309280285.db2.gz GEQHKNNSERDRTR-KRWDZBQOSA-N 2 1 326.488 3.331 20 0 EGADMP COc1ccc(CC[C@@H]2CCCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1OC ZINC000420300375 309280319 /nfs/dbraw/zinc/28/03/19/309280319.db2.gz KFAFHQYAXIMDLZ-MOPGFXCFSA-N 2 1 346.515 3.491 20 0 EGADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000420306857 309280693 /nfs/dbraw/zinc/28/06/93/309280693.db2.gz BCIXKCRSFMLIFW-KSSFIOAISA-N 2 1 330.863 3.151 20 0 EGADMP c1ccc(C(c2ccccc2)[NH+]2CCN(CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420308063 309280950 /nfs/dbraw/zinc/28/09/50/309280950.db2.gz RXNFANPMUSRTHP-FQEVSTJZSA-N 2 1 349.522 3.393 20 0 EGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000420319944 309281779 /nfs/dbraw/zinc/28/17/79/309281779.db2.gz PQMIQLHXZSIOJT-JECHBYEQSA-N 2 1 343.298 3.273 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000420319257 309281917 /nfs/dbraw/zinc/28/19/17/309281917.db2.gz OZMXCGOTNZXPQJ-KGLIPLIRSA-N 2 1 330.863 3.275 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCCc2cccc3ccccc32)CC12CCOCC2 ZINC000420331451 309282657 /nfs/dbraw/zinc/28/26/57/309282657.db2.gz QUNOYRQZTUBJJO-FQEVSTJZSA-N 2 1 338.495 3.460 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336662 309282939 /nfs/dbraw/zinc/28/29/39/309282939.db2.gz IZADOGIBMDCONK-ZWKOTPCHSA-N 2 1 343.515 3.378 20 0 EGADMP Fc1cccc(F)c1-n1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000420337498 309282962 /nfs/dbraw/zinc/28/29/62/309282962.db2.gz NPFMLFMBYHKEII-GOSISDBHSA-N 2 1 346.425 3.115 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420344295 309283496 /nfs/dbraw/zinc/28/34/96/309283496.db2.gz SOJLOBKIAUFLOI-CJNGLKHVSA-N 2 1 335.879 3.131 20 0 EGADMP FC(F)Oc1ccc([C@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420364556 309284286 /nfs/dbraw/zinc/28/42/86/309284286.db2.gz RERPUTPVWVFDPP-RHSMWYFYSA-N 2 1 340.414 3.051 20 0 EGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3coc(-c4cccs4)n3)CC2)C1 ZINC000420389682 309285980 /nfs/dbraw/zinc/28/59/80/309285980.db2.gz MIFTXFUKBRFAEN-ZBFHGGJFSA-N 2 1 347.484 3.121 20 0 EGADMP CC(C)c1ccc(-c2nc(C[NH+]3CCC(O)(C[NH3+])CC3)cs2)cc1 ZINC000420403943 309286689 /nfs/dbraw/zinc/28/66/89/309286689.db2.gz LSJFQNLZBNKULQ-UHFFFAOYSA-N 2 1 345.512 3.219 20 0 EGADMP CCC(CC)[N@H+](CCOC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420904700 309300215 /nfs/dbraw/zinc/30/02/15/309300215.db2.gz QESRNUIOOPBBQW-UHFFFAOYSA-N 2 1 334.504 3.156 20 0 EGADMP CCC(CC)[N@@H+](CCOC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420904700 309300216 /nfs/dbraw/zinc/30/02/16/309300216.db2.gz QESRNUIOOPBBQW-UHFFFAOYSA-N 2 1 334.504 3.156 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420928805 309301843 /nfs/dbraw/zinc/30/18/43/309301843.db2.gz PVHVMNVUSBKURB-RDJZCZTQSA-N 2 1 335.492 3.414 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420928805 309301844 /nfs/dbraw/zinc/30/18/44/309301844.db2.gz PVHVMNVUSBKURB-RDJZCZTQSA-N 2 1 335.492 3.414 20 0 EGADMP C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420966717 309304874 /nfs/dbraw/zinc/30/48/74/309304874.db2.gz RJCPFHJBWVLZEO-RXVVDRJESA-N 2 1 346.515 3.034 20 0 EGADMP C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420966717 309304875 /nfs/dbraw/zinc/30/48/75/309304875.db2.gz RJCPFHJBWVLZEO-RXVVDRJESA-N 2 1 346.515 3.034 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCc3ccsc3)CC2)CC1 ZINC000420972952 309305517 /nfs/dbraw/zinc/30/55/17/309305517.db2.gz BQGNIJNSBDKTCH-UHFFFAOYSA-N 2 1 335.561 3.173 20 0 EGADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CCOc1ccccc1C ZINC000420974947 309305525 /nfs/dbraw/zinc/30/55/25/309305525.db2.gz PNSJEWHFTJGDHQ-UHFFFAOYSA-N 2 1 347.547 3.112 20 0 EGADMP CCCN1C[C@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1=O ZINC000421356958 309320001 /nfs/dbraw/zinc/32/00/01/309320001.db2.gz YYIDJVRJUPYHDD-RDJZCZTQSA-N 2 1 340.471 3.090 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421849244 309343228 /nfs/dbraw/zinc/34/32/28/309343228.db2.gz BMECSZOIRSEYTD-FPOVZHCZSA-N 2 1 335.495 3.441 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@H]1C[NH3+] ZINC000422559122 309361584 /nfs/dbraw/zinc/36/15/84/309361584.db2.gz CBZGUSLAVOCVKM-FUHIMQAGSA-N 2 1 339.483 3.466 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C[C@H]1C[NH3+] ZINC000422641858 309363181 /nfs/dbraw/zinc/36/31/81/309363181.db2.gz YMZCEYFOZBFFNM-JHJVBQTASA-N 2 1 341.858 3.113 20 0 EGADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000422726587 309365245 /nfs/dbraw/zinc/36/52/45/309365245.db2.gz FLRWSUOUUIYQJZ-IAOVAPTHSA-N 2 1 341.421 3.010 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422797100 309368810 /nfs/dbraw/zinc/36/88/10/309368810.db2.gz ZTMMXTWZHQOXNK-PMACEKPBSA-N 2 1 326.488 3.298 20 0 EGADMP c1ccc([C@@H]2C[C@@H](N[C@H]3CC[N@H+](CC4CCCC4)C3)CC[NH2+]2)cc1 ZINC000422799727 309369139 /nfs/dbraw/zinc/36/91/39/309369139.db2.gz YETYHCBNHROVPZ-ACRUOGEOSA-N 2 1 327.516 3.334 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](CCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000422805186 309369375 /nfs/dbraw/zinc/36/93/75/309369375.db2.gz IREVOFCQRPNANA-FDFHNCONSA-N 2 1 341.543 3.335 20 0 EGADMP c1ccc2c(c1)CC[N@H+](CCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000422805186 309369376 /nfs/dbraw/zinc/36/93/76/309369376.db2.gz IREVOFCQRPNANA-FDFHNCONSA-N 2 1 341.543 3.335 20 0 EGADMP C[NH+](C)CCOc1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422822442 309370339 /nfs/dbraw/zinc/37/03/39/309370339.db2.gz KAEPVHPXYZVZOO-VAMGGRTRSA-N 2 1 345.531 3.027 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc(N4CCCC4)nc3)CC[NH2+]2)cc1 ZINC000422825111 309370456 /nfs/dbraw/zinc/37/04/56/309370456.db2.gz IYGGAKJVVGWXCS-UXHICEINSA-N 2 1 336.483 3.265 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C(C)C)N1CCC(C)CC1 ZINC000422843945 309371638 /nfs/dbraw/zinc/37/16/38/309371638.db2.gz KEKRLSQUPWBFLO-OXJNMPFZSA-N 2 1 332.536 3.256 20 0 EGADMP COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1OC ZINC000422861748 309372650 /nfs/dbraw/zinc/37/26/50/309372650.db2.gz OWZSQFKCOVOJQF-ZDUSSCGKSA-N 2 1 329.444 3.140 20 0 EGADMP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422873113 309372983 /nfs/dbraw/zinc/37/29/83/309372983.db2.gz KAVSEJFRNIBBEA-IJXRJRJASA-N 2 1 346.515 3.419 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000422903914 309375433 /nfs/dbraw/zinc/37/54/33/309375433.db2.gz PLIDGNQSHMBQRH-HNAYVOBHSA-N 2 1 338.430 3.060 20 0 EGADMP C[C@H]([NH2+]CCc1nc2ccccc2n1C(F)F)c1c[nH+]ccc1N ZINC000422912139 309375779 /nfs/dbraw/zinc/37/57/79/309375779.db2.gz MFLFFKYHWKVTAR-NSHDSACASA-N 2 1 331.370 3.132 20 0 EGADMP c1cc(-c2ccccc2)oc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000422974451 309379060 /nfs/dbraw/zinc/37/90/60/309379060.db2.gz QZVRFVWTDLWEII-QRVBRYPASA-N 2 1 326.440 3.193 20 0 EGADMP C[C@H](NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000423022485 309381598 /nfs/dbraw/zinc/38/15/98/309381598.db2.gz HTBKJNOQPHJDDH-MZTNWIODSA-N 2 1 339.886 3.202 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000423022485 309381600 /nfs/dbraw/zinc/38/16/00/309381600.db2.gz HTBKJNOQPHJDDH-MZTNWIODSA-N 2 1 339.886 3.202 20 0 EGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423064016 309383954 /nfs/dbraw/zinc/38/39/54/309383954.db2.gz XWLDKMIKOPINKY-BRWVUGGUSA-N 2 1 342.405 3.261 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccncc1OCC(F)F ZINC000423098082 309385855 /nfs/dbraw/zinc/38/58/55/309385855.db2.gz KABTYAAYZAGMFQ-UKRRQHHQSA-N 2 1 327.419 3.126 20 0 EGADMP Fc1ccccc1[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423106313 309386226 /nfs/dbraw/zinc/38/62/26/309386226.db2.gz ZPCCRCMXEUHMNN-DQIJQRSUSA-N 2 1 332.463 3.209 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)c1nccn1-c1ccccc1 ZINC000423130837 309387351 /nfs/dbraw/zinc/38/73/51/309387351.db2.gz SFVTYWPDFGDCLI-ZBFHGGJFSA-N 2 1 335.455 3.446 20 0 EGADMP Fc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423132950 309387602 /nfs/dbraw/zinc/38/76/02/309387602.db2.gz PWBXTMFHOOEKOC-HBFSDRIKSA-N 2 1 339.458 3.487 20 0 EGADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c(C)c1 ZINC000423137358 309387872 /nfs/dbraw/zinc/38/78/72/309387872.db2.gz WETYTJIACMYMNJ-SXLOBPIMSA-N 2 1 330.516 3.328 20 0 EGADMP Clc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423143693 309388115 /nfs/dbraw/zinc/38/81/15/309388115.db2.gz DTWJXMAYICCNPK-NAHQNRHBSA-N 2 1 334.891 3.333 20 0 EGADMP Fc1cc(F)c2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)CCC2 ZINC000423146189 309388424 /nfs/dbraw/zinc/38/84/24/309388424.db2.gz OLGLOZSMMBWWLV-UTRMSSBJSA-N 2 1 336.426 3.089 20 0 EGADMP COc1cc(OC)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000423212657 309390580 /nfs/dbraw/zinc/39/05/80/309390580.db2.gz IXBCWEMCZMZXJJ-FRRDWIJNSA-N 2 1 326.868 3.396 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])nnn1-c1ccc(C)cc1 ZINC000423263885 309392981 /nfs/dbraw/zinc/39/29/81/309392981.db2.gz BILMIWTVIOYAQO-LESCRADOSA-N 2 1 327.476 3.052 20 0 EGADMP C[C@H](C[NH3+])C[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000423301082 309394397 /nfs/dbraw/zinc/39/43/97/309394397.db2.gz FJOXHKWNSCXJQM-YJYMSZOUSA-N 2 1 346.858 3.385 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000423308901 309394632 /nfs/dbraw/zinc/39/46/32/309394632.db2.gz PENYUFFWCGMJQW-FZKQIMNGSA-N 2 1 345.874 3.392 20 0 EGADMP COC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423321097 309395186 /nfs/dbraw/zinc/39/51/86/309395186.db2.gz GCOXARVFBFQLBQ-HZPDHXFCSA-N 2 1 330.394 3.372 20 0 EGADMP CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC[NH2+]CC1 ZINC000423326385 309395281 /nfs/dbraw/zinc/39/52/81/309395281.db2.gz KLGFOVOAXMAKET-NJYVYQBISA-N 3 1 341.543 3.409 20 0 EGADMP CC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)CC[NH2+]CC1 ZINC000423326385 309395282 /nfs/dbraw/zinc/39/52/82/309395282.db2.gz KLGFOVOAXMAKET-NJYVYQBISA-N 2 1 341.543 3.409 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000423330901 309395444 /nfs/dbraw/zinc/39/54/44/309395444.db2.gz NWXXPSGQSVFMQO-IXDOHACOSA-N 2 1 331.504 3.194 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000423357572 309396703 /nfs/dbraw/zinc/39/67/03/309396703.db2.gz MHXUCLXAXYYGJD-RLLQIKCJSA-N 2 1 349.563 3.397 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCCN3)[C@@H](C)C1 ZINC000423418044 309399473 /nfs/dbraw/zinc/39/94/73/309399473.db2.gz UBPHWFRTOLSEHA-PXNSSMCTSA-N 2 1 345.531 3.271 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(SCC(F)(F)F)cc1 ZINC000423500901 309403377 /nfs/dbraw/zinc/40/33/77/309403377.db2.gz DFZKLPUQPVBXQI-TZMCWYRMSA-N 2 1 348.434 3.370 20 0 EGADMP Brc1cccc2c1OCCC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423532306 309405342 /nfs/dbraw/zinc/40/53/42/309405342.db2.gz VCGRPRFGFQAQAA-HNNXBMFYSA-N 2 1 339.277 3.395 20 0 EGADMP Cc1noc(C[C@@H]([NH2+]CCCCn2cc[nH+]c2C)c2ccccc2)n1 ZINC000429555937 309584618 /nfs/dbraw/zinc/58/46/18/309584618.db2.gz NXZOYSNGOUJUNJ-GOSISDBHSA-N 2 1 339.443 3.237 20 0 EGADMP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC(C[NH3+])CC1 ZINC000430623587 309613333 /nfs/dbraw/zinc/61/33/33/309613333.db2.gz HLGHJUFKZWCCTK-GFCCVEGCSA-N 2 1 334.851 3.046 20 0 EGADMP Fc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1Br ZINC000430954523 309622128 /nfs/dbraw/zinc/62/21/28/309622128.db2.gz GANZTJBXJIFIDU-UHFFFAOYSA-N 2 1 327.241 3.164 20 0 EGADMP Cc1sc2[nH]c([C@H](C)[NH+]3CCC4(CC[NH2+]C4)CC3)nc(=O)c2c1C ZINC000431031796 309623779 /nfs/dbraw/zinc/62/37/79/309623779.db2.gz DFONDFBFKPLTKR-LBPRGKRZSA-N 2 1 346.500 3.150 20 0 EGADMP COc1cccc2c(C[NH+]3CCC([N@H+](C)C[C@H](C)O)CC3)cccc12 ZINC000449027706 310030459 /nfs/dbraw/zinc/03/04/59/310030459.db2.gz MEQQLPTUXFYHSR-INIZCTEOSA-N 2 1 342.483 3.125 20 0 EGADMP COc1cccc2c(C[NH+]3CCC([N@@H+](C)C[C@H](C)O)CC3)cccc12 ZINC000449027706 310030460 /nfs/dbraw/zinc/03/04/60/310030460.db2.gz MEQQLPTUXFYHSR-INIZCTEOSA-N 2 1 342.483 3.125 20 0 EGADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000449386144 310057916 /nfs/dbraw/zinc/05/79/16/310057916.db2.gz SPXYTZTVXBTRKD-NRFANRHFSA-N 2 1 344.547 3.146 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CCCC3(F)F)sc2C1 ZINC000449499077 310067103 /nfs/dbraw/zinc/06/71/03/310067103.db2.gz STYHLBQXPPMVBT-LBPRGKRZSA-N 2 1 329.460 3.435 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CCCC3(F)F)sc2C1 ZINC000449499077 310067104 /nfs/dbraw/zinc/06/71/04/310067104.db2.gz STYHLBQXPPMVBT-LBPRGKRZSA-N 2 1 329.460 3.435 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000449506050 310067633 /nfs/dbraw/zinc/06/76/33/310067633.db2.gz KJOADWGVSGYKRF-ZINXYGQCSA-N 2 1 342.527 3.426 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000449506050 310067634 /nfs/dbraw/zinc/06/76/34/310067634.db2.gz KJOADWGVSGYKRF-ZINXYGQCSA-N 2 1 342.527 3.426 20 0 EGADMP CCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)COC1 ZINC000449596894 310074680 /nfs/dbraw/zinc/07/46/80/310074680.db2.gz CPTWJIQFPCJCSM-VAMGGRTRSA-N 2 1 328.500 3.303 20 0 EGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CC3=CCCCC3)CC2)C[C@H](C)O1 ZINC000450651921 310135234 /nfs/dbraw/zinc/13/52/34/310135234.db2.gz QAGNXNNBCPPXPB-HDICACEKSA-N 2 1 336.520 3.077 20 0 EGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CC3=CCCCC3)CC2)C[C@H](C)O1 ZINC000450651921 310135235 /nfs/dbraw/zinc/13/52/35/310135235.db2.gz QAGNXNNBCPPXPB-HDICACEKSA-N 2 1 336.520 3.077 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000451938953 310204323 /nfs/dbraw/zinc/20/43/23/310204323.db2.gz ITTVAGGGCSJRLI-UHFFFAOYSA-N 2 1 327.472 3.353 20 0 EGADMP Cc1c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cnn1C ZINC000453172673 310262270 /nfs/dbraw/zinc/26/22/70/310262270.db2.gz IKTKQFVIUANXEM-PWRODBHTSA-N 2 1 338.499 3.261 20 0 EGADMP C[N@@H+](CCCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)C1CC1 ZINC000453602565 310283800 /nfs/dbraw/zinc/28/38/00/310283800.db2.gz WWXRJWUHCVBDIU-UHFFFAOYSA-N 2 1 330.451 3.035 20 0 EGADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000454712620 310325226 /nfs/dbraw/zinc/32/52/26/310325226.db2.gz CZZWPQOUIJIFRS-KRWDZBQOSA-N 2 1 341.459 3.035 20 0 EGADMP CC[C@H]1CN(CC)CCN1C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000454712620 310325227 /nfs/dbraw/zinc/32/52/27/310325227.db2.gz CZZWPQOUIJIFRS-KRWDZBQOSA-N 2 1 341.459 3.035 20 0 EGADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C[C@H]1C ZINC000455933971 310382667 /nfs/dbraw/zinc/38/26/67/310382667.db2.gz QSQMTRMFMDMWFU-ZRGWGRIASA-N 2 1 344.503 3.182 20 0 EGADMP CC(C)[N@H+]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455949854 310383226 /nfs/dbraw/zinc/38/32/26/310383226.db2.gz ZHBHARNXXZIJOJ-LJQANCHMSA-N 2 1 344.503 3.184 20 0 EGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC[N@@H+](C)C3CCCC3)ccc21 ZINC000455948266 310383263 /nfs/dbraw/zinc/38/32/63/310383263.db2.gz YAANNQAURHFQJL-IBGZPJMESA-N 2 1 344.503 3.231 20 0 EGADMP C[C@H](NCC(C)(C)C[NH+]1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000477908471 310851378 /nfs/dbraw/zinc/85/13/78/310851378.db2.gz BKGTVZKUMWFFRX-SFHVURJKSA-N 2 1 347.547 3.400 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000482153329 310927592 /nfs/dbraw/zinc/92/75/92/310927592.db2.gz AUWMQWIQFYHGMN-DZGCQCFKSA-N 2 1 346.441 3.429 20 0 EGADMP CCCCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000484749288 310969461 /nfs/dbraw/zinc/96/94/61/310969461.db2.gz QJKLWIRDDQKXHV-HBMCJLEFSA-N 2 1 346.515 3.155 20 0 EGADMP CCCCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000484749292 310969613 /nfs/dbraw/zinc/96/96/13/310969613.db2.gz QJKLWIRDDQKXHV-PWRODBHTSA-N 2 1 346.515 3.155 20 0 EGADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc[nH+]c2ccccc21 ZINC000491169410 311166571 /nfs/dbraw/zinc/16/65/71/311166571.db2.gz BUDHVCVGVOBTTC-JOCHJYFZSA-N 2 1 347.462 3.308 20 0 EGADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507485104 312074764 /nfs/dbraw/zinc/07/47/64/312074764.db2.gz KRWFVGYKAYSDIZ-AYZHRIAMSA-N 2 1 330.516 3.284 20 0 EGADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000510985043 312152167 /nfs/dbraw/zinc/15/21/67/312152167.db2.gz YZTMLYQEXHCLNN-SXLOBPIMSA-N 2 1 329.532 3.217 20 0 EGADMP CC[NH+]1C[C@H](C)[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000510985043 312152170 /nfs/dbraw/zinc/15/21/70/312152170.db2.gz YZTMLYQEXHCLNN-SXLOBPIMSA-N 2 1 329.532 3.217 20 0 EGADMP CC[NH+]1C[C@H](C)[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000510985043 312152171 /nfs/dbraw/zinc/15/21/71/312152171.db2.gz YZTMLYQEXHCLNN-SXLOBPIMSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C1CC1 ZINC000512672615 312192088 /nfs/dbraw/zinc/19/20/88/312192088.db2.gz LLRVERXORANIMQ-JHMKDJTOSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@H](CN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21)[N@H+](C)C1CC1 ZINC000512672615 312192090 /nfs/dbraw/zinc/19/20/90/312192090.db2.gz LLRVERXORANIMQ-JHMKDJTOSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@H](CN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21)[N@@H+](C)C1CC1 ZINC000512672615 312192092 /nfs/dbraw/zinc/19/20/92/312192092.db2.gz LLRVERXORANIMQ-JHMKDJTOSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N(C)C1CC1 ZINC000512672615 312192093 /nfs/dbraw/zinc/19/20/93/312192093.db2.gz LLRVERXORANIMQ-JHMKDJTOSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N(C)C1CC1 ZINC000512672615 312192095 /nfs/dbraw/zinc/19/20/95/312192095.db2.gz LLRVERXORANIMQ-JHMKDJTOSA-N 2 1 341.543 3.359 20 0 EGADMP Cc1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1C ZINC000512685178 312192470 /nfs/dbraw/zinc/19/24/70/312192470.db2.gz ACMBEEVMXHDQEI-PMACEKPBSA-N 2 1 329.532 3.294 20 0 EGADMP C[NH+](C)CCc1ccc(C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1 ZINC000515497407 312285904 /nfs/dbraw/zinc/28/59/04/312285904.db2.gz SDCGLOCHOQCQRE-UHFFFAOYSA-N 2 1 345.531 3.175 20 0 EGADMP CC(C)n1ccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000515541594 312288311 /nfs/dbraw/zinc/28/83/11/312288311.db2.gz RRNYXBGXSQSBJS-INIZCTEOSA-N 2 1 330.476 3.255 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000515832090 312299694 /nfs/dbraw/zinc/29/96/94/312299694.db2.gz JCESGGZYIAPMAV-INIZCTEOSA-N 2 1 335.467 3.256 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1 ZINC000517677460 312387980 /nfs/dbraw/zinc/38/79/80/312387980.db2.gz IRWOLXQZMDAGPZ-BVYCBKJFSA-N 2 1 338.495 3.263 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1 ZINC000517677460 312387982 /nfs/dbraw/zinc/38/79/82/312387982.db2.gz IRWOLXQZMDAGPZ-BVYCBKJFSA-N 2 1 338.495 3.263 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ncccc3Cl)CC2)C[C@H](C)O1 ZINC000528365717 313074569 /nfs/dbraw/zinc/07/45/69/313074569.db2.gz CRHBIYOSWIAMSJ-GASCZTMLSA-N 2 1 337.895 3.056 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ncccc3Cl)CC2)C[C@H](C)O1 ZINC000528365717 313074573 /nfs/dbraw/zinc/07/45/73/313074573.db2.gz CRHBIYOSWIAMSJ-GASCZTMLSA-N 2 1 337.895 3.056 20 0 EGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000536695376 314138813 /nfs/dbraw/zinc/13/88/13/314138813.db2.gz CYVFNELNHWJCGD-QGZVFWFLSA-N 2 1 338.442 3.494 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000536695376 314138817 /nfs/dbraw/zinc/13/88/17/314138817.db2.gz CYVFNELNHWJCGD-QGZVFWFLSA-N 2 1 338.442 3.494 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000536695376 314138821 /nfs/dbraw/zinc/13/88/21/314138821.db2.gz CYVFNELNHWJCGD-QGZVFWFLSA-N 2 1 338.442 3.494 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000536695376 314138826 /nfs/dbraw/zinc/13/88/26/314138826.db2.gz CYVFNELNHWJCGD-QGZVFWFLSA-N 2 1 338.442 3.494 20 0 EGADMP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000536770478 314144292 /nfs/dbraw/zinc/14/42/92/314144292.db2.gz DNPPWGQXNQQJGR-AEFFLSMTSA-N 2 1 344.528 3.091 20 0 EGADMP CC[N@H+]1CC[C@H](Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)[C@@H](C)C1 ZINC000537446700 314181645 /nfs/dbraw/zinc/18/16/45/314181645.db2.gz YHJJMQMTKWPOJI-RXVVDRJESA-N 2 1 344.547 3.359 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC)C2(CC)CC)[C@@H](C)C1 ZINC000540157394 314366051 /nfs/dbraw/zinc/36/60/51/314366051.db2.gz WXMJZQZHUWMBPA-OKYOBFRVSA-N 2 1 340.552 3.307 20 0 EGADMP C[C@@H](C[N@H+]1CCC[C@H](CN2CCOCC2)C1)c1cccc(Cl)c1 ZINC000549810304 315105839 /nfs/dbraw/zinc/10/58/39/315105839.db2.gz QJEDFCYXBQVIAK-DLBZAZTESA-N 2 1 336.907 3.488 20 0 EGADMP CCCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H]1CCC[C@H](C)C1 ZINC000550380004 315126214 /nfs/dbraw/zinc/12/62/14/315126214.db2.gz MBXFGOQUNGALRR-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552049506 315193061 /nfs/dbraw/zinc/19/30/61/315193061.db2.gz XPFMWORSWQUZFN-GXRSIYKFSA-N 2 1 341.543 3.361 20 0 EGADMP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000552049506 315193065 /nfs/dbraw/zinc/19/30/65/315193065.db2.gz XPFMWORSWQUZFN-GXRSIYKFSA-N 2 1 341.543 3.361 20 0 EGADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000552049506 315193068 /nfs/dbraw/zinc/19/30/68/315193068.db2.gz XPFMWORSWQUZFN-GXRSIYKFSA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552049506 315193069 /nfs/dbraw/zinc/19/30/69/315193069.db2.gz XPFMWORSWQUZFN-GXRSIYKFSA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552049506 315193073 /nfs/dbraw/zinc/19/30/73/315193073.db2.gz XPFMWORSWQUZFN-GXRSIYKFSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CCC[C@]1(O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552406593 315218855 /nfs/dbraw/zinc/21/88/55/315218855.db2.gz FHQKPIIALQCWEE-PPQDBTBKSA-N 2 1 328.500 3.038 20 0 EGADMP CCc1[nH+]c2ccccc2c(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1C ZINC000553603578 315272298 /nfs/dbraw/zinc/27/22/98/315272298.db2.gz FAMDCZGUOJKKLT-RDJZCZTQSA-N 2 1 339.483 3.405 20 0 EGADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000554377604 315313624 /nfs/dbraw/zinc/31/36/24/315313624.db2.gz QYAQMWAFNRPZMX-XSDIEEQYSA-N 2 1 330.516 3.141 20 0 EGADMP CC1=CC[N@@H+](CCNC(=O)c2ccccc2Oc2ccncc2)CC1 ZINC000554795713 315349162 /nfs/dbraw/zinc/34/91/62/315349162.db2.gz WJDKTVFNXZWESS-UHFFFAOYSA-N 2 1 337.423 3.256 20 0 EGADMP CC1=CCN(CCNC(=O)c2ccccc2Oc2ccncc2)CC1 ZINC000554795713 315349163 /nfs/dbraw/zinc/34/91/63/315349163.db2.gz WJDKTVFNXZWESS-UHFFFAOYSA-N 2 1 337.423 3.256 20 0 EGADMP C[C@@H](C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000556730376 315458811 /nfs/dbraw/zinc/45/88/11/315458811.db2.gz GRTVQHAUBHSTMO-PKOBYXMFSA-N 2 1 343.540 3.430 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCC[C@H]3C(C)C)CC2)CC1 ZINC000563383286 316012105 /nfs/dbraw/zinc/01/21/05/316012105.db2.gz OIOLJYFWIAVROK-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H](C2CC2)C2CCC2)c2cccs2)CC1 ZINC000564292220 316131590 /nfs/dbraw/zinc/13/15/90/316131590.db2.gz WKYHNSYUVGAPAF-PKOBYXMFSA-N 2 1 333.545 3.205 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[C@@H](C)C[C@H]3C)CC2)CC1 ZINC000565184604 316285530 /nfs/dbraw/zinc/28/55/30/316285530.db2.gz CGUYWAOZNAMJRB-MBOZVWFJSA-N 2 1 349.563 3.124 20 0 EGADMP COc1cccc(C2(F)CC[NH+](CCCc3c[nH+]cn3C)CC2)c1 ZINC000571340686 317185478 /nfs/dbraw/zinc/18/54/78/317185478.db2.gz KIRRQEZOEUDRLG-UHFFFAOYSA-N 2 1 331.435 3.322 20 0 EGADMP CC[NH+](CC)CCCC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000571416072 317197005 /nfs/dbraw/zinc/19/70/05/317197005.db2.gz JFDSNOADVZAFSC-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@H]2c2nc3ccccc3n2C)CC[NH2+]1 ZINC000571770151 317245201 /nfs/dbraw/zinc/24/52/01/317245201.db2.gz MDWQFYWTNDCGCK-GJYPPUQNSA-N 2 1 326.488 3.488 20 0 EGADMP Clc1ccc([C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C2CC2)cc1 ZINC000571874164 317259694 /nfs/dbraw/zinc/25/96/94/317259694.db2.gz WYNLDBRBYVXWET-KRWDZBQOSA-N 2 1 345.878 3.166 20 0 EGADMP CC1=CC[N@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000572482472 317345368 /nfs/dbraw/zinc/34/53/68/317345368.db2.gz VDGMJCKURYGAHC-NRFANRHFSA-N 2 1 339.527 3.425 20 0 EGADMP CC1=CC[N@@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000572482472 317345370 /nfs/dbraw/zinc/34/53/70/317345370.db2.gz VDGMJCKURYGAHC-NRFANRHFSA-N 2 1 339.527 3.425 20 0 EGADMP CC1=CC[NH+](CCN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000572482472 317345373 /nfs/dbraw/zinc/34/53/73/317345373.db2.gz VDGMJCKURYGAHC-NRFANRHFSA-N 2 1 339.527 3.425 20 0 EGADMP CC1=CC[NH+](CCN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000572482472 317345376 /nfs/dbraw/zinc/34/53/76/317345376.db2.gz VDGMJCKURYGAHC-NRFANRHFSA-N 2 1 339.527 3.425 20 0 EGADMP CC1CCC([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000174371093 323305855 /nfs/dbraw/zinc/30/58/55/323305855.db2.gz ONGBVTXQYHWOCU-AJPWXKBRSA-N 2 1 343.515 3.052 20 0 EGADMP CN(CC[N@@H+](C)Cc1cccc2ccccc21)C1CC[NH+](C)CC1 ZINC000177382102 323340134 /nfs/dbraw/zinc/34/01/34/323340134.db2.gz SHLKABWWNPUQBD-UHFFFAOYSA-N 2 1 325.500 3.298 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(F)cc2Cl)C[C@H](C)O1 ZINC000178619858 323359648 /nfs/dbraw/zinc/35/96/48/323359648.db2.gz NZDYHPKCBXUCOR-OKILXGFUSA-N 2 1 328.859 3.458 20 0 EGADMP O[C@H](CC1CCCC1)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000385898996 324264379 /nfs/dbraw/zinc/26/43/79/324264379.db2.gz FSDCTNPMLNAVAV-FDFHNCONSA-N 2 1 342.527 3.382 20 0 EGADMP O[C@H](CC1CCCC1)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000385898996 324264383 /nfs/dbraw/zinc/26/43/83/324264383.db2.gz FSDCTNPMLNAVAV-FDFHNCONSA-N 2 1 342.527 3.382 20 0 EGADMP O[C@H](CC1CCCC1)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000385898996 324264387 /nfs/dbraw/zinc/26/43/87/324264387.db2.gz FSDCTNPMLNAVAV-FDFHNCONSA-N 2 1 342.527 3.382 20 0 EGADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000579676096 325142949 /nfs/dbraw/zinc/14/29/49/325142949.db2.gz DJTXCFYTFSONKF-GCJKJVERSA-N 2 1 338.495 3.189 20 0 EGADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000579676096 325142954 /nfs/dbraw/zinc/14/29/54/325142954.db2.gz DJTXCFYTFSONKF-GCJKJVERSA-N 2 1 338.495 3.189 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)CN[C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000581556031 325371563 /nfs/dbraw/zinc/37/15/63/325371563.db2.gz KLCARYQPIZLALI-HOTGVXAUSA-N 2 1 332.410 3.305 20 0 EGADMP CCN(C)C[C@@H](O)C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000581556031 325371566 /nfs/dbraw/zinc/37/15/66/325371566.db2.gz KLCARYQPIZLALI-HOTGVXAUSA-N 2 1 332.410 3.305 20 0 EGADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000581556031 325371569 /nfs/dbraw/zinc/37/15/69/325371569.db2.gz KLCARYQPIZLALI-HOTGVXAUSA-N 2 1 332.410 3.305 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000581556031 325371571 /nfs/dbraw/zinc/37/15/71/325371571.db2.gz KLCARYQPIZLALI-HOTGVXAUSA-N 2 1 332.410 3.305 20 0 EGADMP CC(C)CCC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000349419366 456967042 /nfs/dbraw/zinc/96/70/42/456967042.db2.gz PIJOAKCBFNKRAN-QZTJIDSGSA-N 2 1 326.525 3.013 20 0 EGADMP [NH3+][C@@H](CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000237873713 455228088 /nfs/dbraw/zinc/22/80/88/455228088.db2.gz IRHZVOSRULWGDA-FQEVSTJZSA-N 2 1 343.515 3.191 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495657253 458910543 /nfs/dbraw/zinc/91/05/43/458910543.db2.gz LBRJNYZPICDYGY-JKSUJKDBSA-N 2 1 327.513 3.096 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495657253 458910547 /nfs/dbraw/zinc/91/05/47/458910547.db2.gz LBRJNYZPICDYGY-JKSUJKDBSA-N 2 1 327.513 3.096 20 0 EGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496649931 459272545 /nfs/dbraw/zinc/27/25/45/459272545.db2.gz XPHAKNHTCPLAPY-OAHLLOKOSA-N 2 1 327.513 3.096 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496649931 459272552 /nfs/dbraw/zinc/27/25/52/459272552.db2.gz XPHAKNHTCPLAPY-OAHLLOKOSA-N 2 1 327.513 3.096 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)cc1 ZINC000264633004 455253001 /nfs/dbraw/zinc/25/30/01/455253001.db2.gz MJCGVPPVARLGTA-GOSISDBHSA-N 2 1 343.515 3.133 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000264633004 455253003 /nfs/dbraw/zinc/25/30/03/455253003.db2.gz MJCGVPPVARLGTA-GOSISDBHSA-N 2 1 343.515 3.133 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000264633004 455253005 /nfs/dbraw/zinc/25/30/05/455253005.db2.gz MJCGVPPVARLGTA-GOSISDBHSA-N 2 1 343.515 3.133 20 0 EGADMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cnn(CC(C)C)c3)C2)[nH+]1 ZINC000183234566 455257213 /nfs/dbraw/zinc/25/72/13/455257213.db2.gz QUMLQQNOJKKYKP-QGZVFWFLSA-N 2 1 327.476 3.177 20 0 EGADMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cnn(CC(C)C)c3)C2)[nH+]1 ZINC000183234566 455257216 /nfs/dbraw/zinc/25/72/16/455257216.db2.gz QUMLQQNOJKKYKP-QGZVFWFLSA-N 2 1 327.476 3.177 20 0 EGADMP Cn1ccnc1[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000183262910 455264142 /nfs/dbraw/zinc/26/41/42/455264142.db2.gz VNFORPRAHYPQDY-CRAIPNDOSA-N 2 1 344.528 3.435 20 0 EGADMP Cn1ccnc1[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000183262910 455264147 /nfs/dbraw/zinc/26/41/47/455264147.db2.gz VNFORPRAHYPQDY-CRAIPNDOSA-N 2 1 344.528 3.435 20 0 EGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000173310467 455262767 /nfs/dbraw/zinc/26/27/67/455262767.db2.gz OEBYHQHPBRFXEN-HNNXBMFYSA-N 2 1 343.471 3.099 20 0 EGADMP [NH3+]Cc1cn([C@@H]2CC[N@@H+](Cc3sc4ccccc4c3Cl)C2)nn1 ZINC000631847508 460579558 /nfs/dbraw/zinc/57/95/58/460579558.db2.gz WEHSRMDISMEDAW-GFCCVEGCSA-N 2 1 347.875 3.052 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000067507201 453936709 /nfs/dbraw/zinc/93/67/09/453936709.db2.gz MMIKGQDBNIMWDC-QGZVFWFLSA-N 2 1 344.478 3.448 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000067507201 453936711 /nfs/dbraw/zinc/93/67/11/453936711.db2.gz MMIKGQDBNIMWDC-QGZVFWFLSA-N 2 1 344.478 3.448 20 0 EGADMP CCC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1CC1 ZINC000076463321 454003111 /nfs/dbraw/zinc/00/31/11/454003111.db2.gz XSADDLJIVIBVKK-UHFFFAOYSA-N 2 1 343.515 3.021 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000044277549 454094059 /nfs/dbraw/zinc/09/40/59/454094059.db2.gz YMMXADTUDLOTHH-INIZCTEOSA-N 2 1 332.492 3.134 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000130383272 454194281 /nfs/dbraw/zinc/19/42/81/454194281.db2.gz JQKVLKWNMOYWGM-FQEVSTJZSA-N 2 1 342.487 3.027 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000130383272 454194286 /nfs/dbraw/zinc/19/42/86/454194286.db2.gz JQKVLKWNMOYWGM-FQEVSTJZSA-N 2 1 342.487 3.027 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000131609583 454268875 /nfs/dbraw/zinc/26/88/75/454268875.db2.gz RNGOXNUAMGKURQ-MRXNPFEDSA-N 2 1 341.421 3.312 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000060335586 454277347 /nfs/dbraw/zinc/27/73/47/454277347.db2.gz ZNIXKLCXSILNAR-LJQANCHMSA-N 2 1 329.488 3.485 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000090450653 454307187 /nfs/dbraw/zinc/30/71/87/454307187.db2.gz XNUHHIONULKYPX-SUNKGSAMSA-N 2 1 332.275 3.086 20 0 EGADMP C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000047148322 454333640 /nfs/dbraw/zinc/33/36/40/454333640.db2.gz BSMNTEUTFCFHLG-SFHVURJKSA-N 2 1 343.515 3.134 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2SC)C1 ZINC000072860911 454353693 /nfs/dbraw/zinc/35/36/93/454353693.db2.gz UGKQIQFZXMDJRC-OAHLLOKOSA-N 2 1 335.517 3.011 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2SC)C1 ZINC000072860911 454353699 /nfs/dbraw/zinc/35/36/99/454353699.db2.gz UGKQIQFZXMDJRC-OAHLLOKOSA-N 2 1 335.517 3.011 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2SC)C1 ZINC000072860911 454353701 /nfs/dbraw/zinc/35/37/01/454353701.db2.gz UGKQIQFZXMDJRC-OAHLLOKOSA-N 2 1 335.517 3.011 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000073033992 454384517 /nfs/dbraw/zinc/38/45/17/454384517.db2.gz CSVXABYBINKYTO-PXNSSMCTSA-N 2 1 343.515 3.059 20 0 EGADMP CCC(CC)[C@@H](C[NH2+]C1CCN(c2nc(C)cs2)CC1)[NH+](C)C ZINC000133120442 454394397 /nfs/dbraw/zinc/39/43/97/454394397.db2.gz PTEAHVNIZKCYSV-QGZVFWFLSA-N 2 1 338.565 3.376 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000063302442 454403562 /nfs/dbraw/zinc/40/35/62/454403562.db2.gz INTAAWCSQUTSIX-GOSISDBHSA-N 2 1 343.515 3.021 20 0 EGADMP COc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1Br ZINC000133355525 454416808 /nfs/dbraw/zinc/41/68/08/454416808.db2.gz UGPFGCMRMFTRAL-CQSZACIVSA-N 2 1 329.282 3.263 20 0 EGADMP O[C@H](C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1)C[NH+]1CCCC1 ZINC000091306300 454424035 /nfs/dbraw/zinc/42/40/35/454424035.db2.gz AHIYGFIEDFVIEA-PBHICJAKSA-N 2 1 343.298 3.491 20 0 EGADMP COc1cc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc(OC)c1OC ZINC000121451578 454436383 /nfs/dbraw/zinc/43/63/83/454436383.db2.gz KUPDLRBGTHCATK-ZIAGYGMSSA-N 2 1 347.459 3.204 20 0 EGADMP CC[NH+](CC)CC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000063783781 454448180 /nfs/dbraw/zinc/44/81/80/454448180.db2.gz GPCVSCYIOBSNNL-UHFFFAOYSA-N 2 1 345.531 3.409 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C(=O)OCC)o2)CC1 ZINC000134172685 454511627 /nfs/dbraw/zinc/51/16/27/454511627.db2.gz OPFMNAZLZQBJMT-UHFFFAOYSA-N 2 1 336.476 3.400 20 0 EGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc(F)cc(F)c3)CC2)C[C@@H](C)O1 ZINC000092587004 454591152 /nfs/dbraw/zinc/59/11/52/454591152.db2.gz KXEWASCPLBKBGM-HUUCEWRRSA-N 2 1 338.442 3.286 20 0 EGADMP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(F)cc1 ZINC000134881050 454602468 /nfs/dbraw/zinc/60/24/68/454602468.db2.gz UBSFOXFCMXSQBX-BEFAXECRSA-N 2 1 345.462 3.103 20 0 EGADMP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(F)cc1 ZINC000134881050 454602471 /nfs/dbraw/zinc/60/24/71/454602471.db2.gz UBSFOXFCMXSQBX-BEFAXECRSA-N 2 1 345.462 3.103 20 0 EGADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(F)cc1 ZINC000134881050 454602474 /nfs/dbraw/zinc/60/24/74/454602474.db2.gz UBSFOXFCMXSQBX-BEFAXECRSA-N 2 1 345.462 3.103 20 0 EGADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(F)cc1 ZINC000134881050 454602476 /nfs/dbraw/zinc/60/24/76/454602476.db2.gz UBSFOXFCMXSQBX-BEFAXECRSA-N 2 1 345.462 3.103 20 0 EGADMP CO[C@H](C)c1nc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cs1 ZINC000123148392 454607585 /nfs/dbraw/zinc/60/75/85/454607585.db2.gz DKZZBNPSCVZJSZ-CQSZACIVSA-N 2 1 325.522 3.404 20 0 EGADMP CCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000123345297 454627953 /nfs/dbraw/zinc/62/79/53/454627953.db2.gz NNZZVLPWULTDSF-IRXDYDNUSA-N 2 1 331.504 3.065 20 0 EGADMP CC[NH+](CC)CC1CC[NH+](Cc2csc(-c3ncccn3)n2)CC1 ZINC000051908639 454641367 /nfs/dbraw/zinc/64/13/67/454641367.db2.gz OQURMNGZKQZWIC-UHFFFAOYSA-N 2 1 345.516 3.154 20 0 EGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000135255240 454654070 /nfs/dbraw/zinc/65/40/70/454654070.db2.gz YBYWJVXQSSDFAP-DOTOQJQBSA-N 2 1 338.467 3.376 20 0 EGADMP CC[NH+](CC)CC1CC[NH+](Cc2csc(-c3cnn(C)c3)n2)CC1 ZINC000052441514 454673233 /nfs/dbraw/zinc/67/32/33/454673233.db2.gz ZNXFJVBTSOOAIX-UHFFFAOYSA-N 2 1 347.532 3.097 20 0 EGADMP C[C@H]1C[C@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000124020868 454694164 /nfs/dbraw/zinc/69/41/64/454694164.db2.gz KZRXQTJNXDABOW-DOTOQJQBSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@H]1C[C@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000124020868 454694169 /nfs/dbraw/zinc/69/41/69/454694169.db2.gz KZRXQTJNXDABOW-DOTOQJQBSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@H]1C[C@H]([N@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1C ZINC000124020868 454694172 /nfs/dbraw/zinc/69/41/72/454694172.db2.gz KZRXQTJNXDABOW-DOTOQJQBSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@H]1C[C@H]([N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1C ZINC000124020868 454694175 /nfs/dbraw/zinc/69/41/75/454694175.db2.gz KZRXQTJNXDABOW-DOTOQJQBSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1Cl ZINC000124376991 454725915 /nfs/dbraw/zinc/72/59/15/454725915.db2.gz MTBSADPBYBEBRO-CQSZACIVSA-N 2 1 341.902 3.403 20 0 EGADMP Cc1nc(C)c([C@@H](C)N(C)C[C@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000106936574 454732103 /nfs/dbraw/zinc/73/21/03/454732103.db2.gz NXGGPEBJINRKAA-CRAIPNDOSA-N 2 1 347.528 3.246 20 0 EGADMP Cc1nc(C)c([C@@H](C)[N@H+](C)C[C@H](O)CN(C)Cc2ccccc2)s1 ZINC000106936574 454732110 /nfs/dbraw/zinc/73/21/10/454732110.db2.gz NXGGPEBJINRKAA-CRAIPNDOSA-N 2 1 347.528 3.246 20 0 EGADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H](O)CN(C)Cc2ccccc2)s1 ZINC000106936574 454732113 /nfs/dbraw/zinc/73/21/13/454732113.db2.gz NXGGPEBJINRKAA-CRAIPNDOSA-N 2 1 347.528 3.246 20 0 EGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124453451 454735626 /nfs/dbraw/zinc/73/56/26/454735626.db2.gz CROOMPKKRZDUKQ-NRFANRHFSA-N 2 1 349.538 3.256 20 0 EGADMP CCCc1cc(NC[C@@H](C)N2CC[NH+](C)CC2)c2ccccc2[nH+]1 ZINC000124500818 454742049 /nfs/dbraw/zinc/74/20/49/454742049.db2.gz MLVPPQJHNDSNLQ-MRXNPFEDSA-N 2 1 326.488 3.235 20 0 EGADMP CCn1ccnc1/C=C/C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000136458847 454743194 /nfs/dbraw/zinc/74/31/94/454743194.db2.gz JGNHUBLCUMGVCH-ZHACJKMWSA-N 2 1 340.471 3.073 20 0 EGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cccc(Cl)c2)c2cccs2)CC1 ZINC000620437359 460652625 /nfs/dbraw/zinc/65/26/25/460652625.db2.gz LBVMHAZKAOFQMG-KRWDZBQOSA-N 2 1 349.931 3.480 20 0 EGADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000635012593 460655292 /nfs/dbraw/zinc/65/52/92/460655292.db2.gz WYMLKDUTNBCPAI-HTAPYJJXSA-N 3 1 341.543 3.465 20 0 EGADMP CCCCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124852206 454776636 /nfs/dbraw/zinc/77/66/36/454776636.db2.gz IQCVTQRIOYNNIB-MOPGFXCFSA-N 2 1 337.552 3.362 20 0 EGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000124882013 454779015 /nfs/dbraw/zinc/77/90/15/454779015.db2.gz NFOOFIIFAYSWBY-RBUKOAKNSA-N 2 1 344.503 3.147 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000124882013 454779017 /nfs/dbraw/zinc/77/90/17/454779017.db2.gz NFOOFIIFAYSWBY-RBUKOAKNSA-N 2 1 344.503 3.147 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000124882013 454779018 /nfs/dbraw/zinc/77/90/18/454779018.db2.gz NFOOFIIFAYSWBY-RBUKOAKNSA-N 2 1 344.503 3.147 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000124882013 454779021 /nfs/dbraw/zinc/77/90/21/454779021.db2.gz NFOOFIIFAYSWBY-RBUKOAKNSA-N 2 1 344.503 3.147 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000125072936 454795749 /nfs/dbraw/zinc/79/57/49/454795749.db2.gz PSAUMABUXZBHOF-ULQDDVLXSA-N 2 1 339.524 3.238 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000125072936 454795751 /nfs/dbraw/zinc/79/57/51/454795751.db2.gz PSAUMABUXZBHOF-ULQDDVLXSA-N 2 1 339.524 3.238 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000125072936 454795753 /nfs/dbraw/zinc/79/57/53/454795753.db2.gz PSAUMABUXZBHOF-ULQDDVLXSA-N 2 1 339.524 3.238 20 0 EGADMP COCC[N@@H+](C)CCCN[C@H](C)c1ccccc1Br ZINC000153742964 454827589 /nfs/dbraw/zinc/82/75/89/454827589.db2.gz CPOAEZMSDVHCRF-CYBMUJFWSA-N 2 1 329.282 3.068 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000163414347 454845644 /nfs/dbraw/zinc/84/56/44/454845644.db2.gz XTDGPJLKOBLYKO-FQEVSTJZSA-N 2 1 325.456 3.146 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000163414347 454845648 /nfs/dbraw/zinc/84/56/48/454845648.db2.gz XTDGPJLKOBLYKO-FQEVSTJZSA-N 2 1 325.456 3.146 20 0 EGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000177343305 454854486 /nfs/dbraw/zinc/85/44/86/454854486.db2.gz UIFITJCNHLUKKJ-IBGZPJMESA-N 2 1 325.456 3.298 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000163708829 454861824 /nfs/dbraw/zinc/86/18/24/454861824.db2.gz UXTOMYBQXJVVOH-INIZCTEOSA-N 2 1 338.459 3.245 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000163708829 454861827 /nfs/dbraw/zinc/86/18/27/454861827.db2.gz UXTOMYBQXJVVOH-INIZCTEOSA-N 2 1 338.459 3.245 20 0 EGADMP C[C@@H]1C[C@H](NCc2cccc(NC(=O)C3CCCC3)c2)CC[N@H+]1C ZINC000126007620 454862819 /nfs/dbraw/zinc/86/28/19/454862819.db2.gz BPDPZQVZFBFZOR-CRAIPNDOSA-N 2 1 329.488 3.388 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)CC[N@H+]1C ZINC000126007620 454862823 /nfs/dbraw/zinc/86/28/23/454862823.db2.gz BPDPZQVZFBFZOR-CRAIPNDOSA-N 2 1 329.488 3.388 20 0 EGADMP CC(C)n1ccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000177512889 454871848 /nfs/dbraw/zinc/87/18/48/454871848.db2.gz DWBGZROZQZAZIZ-ROUUACIJSA-N 2 1 348.535 3.175 20 0 EGADMP CC(C)n1ccnc1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177510699 454872019 /nfs/dbraw/zinc/87/20/19/454872019.db2.gz HMOKMHIQFZFTSU-QZTJIDSGSA-N 2 1 348.535 3.175 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NCCNc1cccc(C)[nH+]1)c1ccccc1 ZINC000126190901 454876822 /nfs/dbraw/zinc/87/68/22/454876822.db2.gz GFGLZLAETMECHE-LJQANCHMSA-N 2 1 340.471 3.001 20 0 EGADMP Cn1ccnc1-c1cccc(NC(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000150895167 454908433 /nfs/dbraw/zinc/90/84/33/454908433.db2.gz MYAZTVOXJROJQX-UHFFFAOYSA-N 2 1 341.459 3.083 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000127297917 454952408 /nfs/dbraw/zinc/95/24/08/454952408.db2.gz ULHWWBCSZSHVRS-RYRKJORJSA-N 2 1 348.487 3.203 20 0 EGADMP COc1ccc(CC[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000170689609 454957496 /nfs/dbraw/zinc/95/74/96/454957496.db2.gz KXCKLJZQPWKMCE-HDICACEKSA-N 2 1 346.515 3.059 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000155370638 454992565 /nfs/dbraw/zinc/99/25/65/454992565.db2.gz ZPCKBFDEMPFGFK-ABAIWWIYSA-N 2 1 329.257 3.061 20 0 EGADMP CC[N@@H+](C)C[C@H]1CCN([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000152145893 455078919 /nfs/dbraw/zinc/07/89/19/455078919.db2.gz IYHUZDPWXWEMCM-LSDHHAIUSA-N 2 1 344.459 3.080 20 0 EGADMP C[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)[C@H]1CCOC1 ZINC000179955749 455105668 /nfs/dbraw/zinc/10/56/68/455105668.db2.gz IBZDWKVSCYONEX-WMZOPIPTSA-N 2 1 331.504 3.302 20 0 EGADMP CCOc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)CCOCC2)cc1 ZINC000152449707 455121103 /nfs/dbraw/zinc/12/11/03/455121103.db2.gz UXTPYFQEYVNZKV-MJGOQNOKSA-N 2 1 346.515 3.206 20 0 EGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000623655424 460663521 /nfs/dbraw/zinc/66/35/21/460663521.db2.gz XERKFLJUMJNCBH-ZDUSSCGKSA-N 2 1 329.257 3.410 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000623655424 460663528 /nfs/dbraw/zinc/66/35/28/460663528.db2.gz XERKFLJUMJNCBH-ZDUSSCGKSA-N 2 1 329.257 3.410 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(OC(F)F)c1 ZINC000172191959 455133610 /nfs/dbraw/zinc/13/36/10/455133610.db2.gz NTDMTRZGAVYFDH-GFCCVEGCSA-N 2 1 339.386 3.227 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000623656085 460664019 /nfs/dbraw/zinc/66/40/19/460664019.db2.gz MPWSUBLTXOGSDD-AZUAARDMSA-N 2 1 332.488 3.066 20 0 EGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000180404336 455164838 /nfs/dbraw/zinc/16/48/38/455164838.db2.gz IKCPEXAGPPQKTQ-QGZVFWFLSA-N 3 1 333.520 3.150 20 0 EGADMP CC(C)N1CCC([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000180404336 455164840 /nfs/dbraw/zinc/16/48/40/455164840.db2.gz IKCPEXAGPPQKTQ-QGZVFWFLSA-N 2 1 333.520 3.150 20 0 EGADMP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000180459196 455173862 /nfs/dbraw/zinc/17/38/62/455173862.db2.gz GPZISTSVZIPRCD-OAHLLOKOSA-N 2 1 331.287 3.489 20 0 EGADMP C[C@@H](CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C1CC[NH2+]CC1 ZINC000237352112 455175931 /nfs/dbraw/zinc/17/59/31/455175931.db2.gz WHQJYYVGKBNEDY-SFHVURJKSA-N 2 1 349.563 3.127 20 0 EGADMP c1cc(OCCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc2c1OCO2 ZINC000157443182 455195697 /nfs/dbraw/zinc/19/56/97/455195697.db2.gz MYIWSMXPZPUDEX-KRWDZBQOSA-N 2 1 346.471 3.135 20 0 EGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000173391541 455277621 /nfs/dbraw/zinc/27/76/21/455277621.db2.gz RVBOQAYIIYTZLF-HNNXBMFYSA-N 2 1 343.437 3.384 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000158188695 455278618 /nfs/dbraw/zinc/27/86/18/455278618.db2.gz KRAQWQDMWDNZRS-KRWDZBQOSA-N 2 1 335.923 3.236 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@H](C)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000158583511 455314091 /nfs/dbraw/zinc/31/40/91/455314091.db2.gz RXQWTIFNIBBQBR-IPMKNSEASA-N 2 1 343.515 3.355 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000245539080 455324204 /nfs/dbraw/zinc/32/42/04/455324204.db2.gz JKLZKMJOWOBZJA-QKLQHJQFSA-N 2 1 346.515 3.032 20 0 EGADMP CO[C@H](C)c1nc(CN2CCC[C@@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000245704219 455360487 /nfs/dbraw/zinc/36/04/87/455360487.db2.gz YAVSDWNZJUPASS-KGLIPLIRSA-N 2 1 334.489 3.039 20 0 EGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181720744 455376417 /nfs/dbraw/zinc/37/64/17/455376417.db2.gz LXBSKYLAGKWILY-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181720744 455376420 /nfs/dbraw/zinc/37/64/20/455376420.db2.gz LXBSKYLAGKWILY-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181720744 455376421 /nfs/dbraw/zinc/37/64/21/455376421.db2.gz LXBSKYLAGKWILY-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000265915078 455404627 /nfs/dbraw/zinc/40/46/27/455404627.db2.gz AFJHOGNFGQRLPO-FXAWDEMLSA-N 2 1 345.531 3.331 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000265915078 455404629 /nfs/dbraw/zinc/40/46/29/455404629.db2.gz AFJHOGNFGQRLPO-FXAWDEMLSA-N 2 1 345.531 3.331 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000265915078 455404632 /nfs/dbraw/zinc/40/46/32/455404632.db2.gz AFJHOGNFGQRLPO-FXAWDEMLSA-N 2 1 345.531 3.331 20 0 EGADMP COc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000246281060 455463577 /nfs/dbraw/zinc/46/35/77/455463577.db2.gz NOUHQAJJHHMOTL-YWPYICTPSA-N 2 1 341.293 3.276 20 0 EGADMP COc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000246281060 455463581 /nfs/dbraw/zinc/46/35/81/455463581.db2.gz NOUHQAJJHHMOTL-YWPYICTPSA-N 2 1 341.293 3.276 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCCOc2cccc3cccnc32)[C@@H](C)C1 ZINC000246300843 455466400 /nfs/dbraw/zinc/46/64/00/455466400.db2.gz DAHGMOASRJRVOL-WMZOPIPTSA-N 2 1 327.472 3.324 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1sccc1Br ZINC000185032383 455488386 /nfs/dbraw/zinc/48/83/86/455488386.db2.gz HAQCJUZPMJOYOM-JTQLQIEISA-N 2 1 328.279 3.441 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000246895899 455534729 /nfs/dbraw/zinc/53/47/29/455534729.db2.gz FAPXZPGYVLJTOU-QEUPLWARSA-N 3 1 329.532 3.358 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246895899 455534733 /nfs/dbraw/zinc/53/47/33/455534733.db2.gz FAPXZPGYVLJTOU-QEUPLWARSA-N 3 1 329.532 3.358 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246895899 455534737 /nfs/dbraw/zinc/53/47/37/455534737.db2.gz FAPXZPGYVLJTOU-QEUPLWARSA-N 3 1 329.532 3.358 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000185351054 455546937 /nfs/dbraw/zinc/54/69/37/455546937.db2.gz UHPLIYNZGRHOGL-UHFFFAOYSA-N 2 1 337.552 3.256 20 0 EGADMP CCCC[C@H](COC)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000247028777 455547183 /nfs/dbraw/zinc/54/71/83/455547183.db2.gz MBSBJFSKJDWHQB-FXAWDEMLSA-N 2 1 334.504 3.202 20 0 EGADMP CCCC[C@H](COC)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000247028777 455547184 /nfs/dbraw/zinc/54/71/84/455547184.db2.gz MBSBJFSKJDWHQB-FXAWDEMLSA-N 2 1 334.504 3.202 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185410600 455556009 /nfs/dbraw/zinc/55/60/09/455556009.db2.gz NRXQAIFTWBWEOX-LJQANCHMSA-N 2 1 341.434 3.224 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000247082790 455556873 /nfs/dbraw/zinc/55/68/73/455556873.db2.gz NPEZKDBALGIONO-TWMKSMIVSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000247082790 455556874 /nfs/dbraw/zinc/55/68/74/455556874.db2.gz NPEZKDBALGIONO-TWMKSMIVSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000247087613 455557881 /nfs/dbraw/zinc/55/78/81/455557881.db2.gz NUPVROCZRUBSGF-YTQUADARSA-N 2 1 333.520 3.150 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000182636297 455558366 /nfs/dbraw/zinc/55/83/66/455558366.db2.gz PWNLYUDPMNUONH-UHFFFAOYSA-N 2 1 335.495 3.374 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2F)[C@H](C)C1 ZINC000247149981 455566114 /nfs/dbraw/zinc/56/61/14/455566114.db2.gz SVCTUTLUUFGRPF-HLIPFELVSA-N 2 1 336.495 3.483 20 0 EGADMP CCOc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)CCOCC2)cc1 ZINC000247177181 455569039 /nfs/dbraw/zinc/56/90/39/455569039.db2.gz UXTPYFQEYVNZKV-HKUYNNGSSA-N 2 1 346.515 3.206 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1F ZINC000185726448 455607753 /nfs/dbraw/zinc/60/77/53/455607753.db2.gz LPHDZLMMBZEBQB-ZBFHGGJFSA-N 2 1 348.462 3.355 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1F ZINC000185726448 455607757 /nfs/dbraw/zinc/60/77/57/455607757.db2.gz LPHDZLMMBZEBQB-ZBFHGGJFSA-N 2 1 348.462 3.355 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(F)c1 ZINC000185730624 455608512 /nfs/dbraw/zinc/60/85/12/455608512.db2.gz JETOCIDPSZWMCV-PBHICJAKSA-N 2 1 348.462 3.355 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(F)c1 ZINC000185730624 455608517 /nfs/dbraw/zinc/60/85/17/455608517.db2.gz JETOCIDPSZWMCV-PBHICJAKSA-N 2 1 348.462 3.355 20 0 EGADMP C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185732053 455609228 /nfs/dbraw/zinc/60/92/28/455609228.db2.gz QJULDSSKUXSHBD-ZJPYXAASSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185732053 455609229 /nfs/dbraw/zinc/60/92/29/455609229.db2.gz QJULDSSKUXSHBD-ZJPYXAASSA-N 2 1 335.536 3.019 20 0 EGADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000283979648 455619033 /nfs/dbraw/zinc/61/90/33/455619033.db2.gz CQLOALDZODCCOX-DOTOQJQBSA-N 2 1 338.517 3.005 20 0 EGADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000283979648 455619039 /nfs/dbraw/zinc/61/90/39/455619039.db2.gz CQLOALDZODCCOX-DOTOQJQBSA-N 2 1 338.517 3.005 20 0 EGADMP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000271426914 455632133 /nfs/dbraw/zinc/63/21/33/455632133.db2.gz CZPRMNUTFATPEJ-OAHLLOKOSA-N 2 1 338.517 3.004 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000192516227 455634232 /nfs/dbraw/zinc/63/42/32/455634232.db2.gz XTYMLTSFNFJZKM-NRFANRHFSA-N 2 1 339.483 3.017 20 0 EGADMP C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cccc(OCC[NH+](C)C)c1 ZINC000271513483 455667427 /nfs/dbraw/zinc/66/74/27/455667427.db2.gz OCCVKCQSXBITMA-KSSFIOAISA-N 2 1 328.460 3.078 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000248008831 455669023 /nfs/dbraw/zinc/66/90/23/455669023.db2.gz LARKYZKVAUACEV-SCTDSRPQSA-N 2 1 329.488 3.047 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248008820 455669817 /nfs/dbraw/zinc/66/98/17/455669817.db2.gz LARKYZKVAUACEV-JENIJYKNSA-N 2 1 329.488 3.047 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc(-c3ccncc3)cs2)[C@H](C)C1 ZINC000271563702 455685648 /nfs/dbraw/zinc/68/56/48/455685648.db2.gz YEECFEHULNNHDF-GDBMZVCRSA-N 2 1 330.501 3.068 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Cl)c3cccnc23)CCCO1 ZINC000277884954 455696220 /nfs/dbraw/zinc/69/62/20/455696220.db2.gz OEBWMGOVMRUWAO-OAHLLOKOSA-N 2 1 347.890 3.479 20 0 EGADMP CC1(C)OCc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc2O1 ZINC000186348257 455749751 /nfs/dbraw/zinc/74/97/51/455749751.db2.gz CVQUXCQIKCWKIC-KRWDZBQOSA-N 2 1 330.472 3.249 20 0 EGADMP CC1(C)OCc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc2O1 ZINC000186348257 455749755 /nfs/dbraw/zinc/74/97/55/455749755.db2.gz CVQUXCQIKCWKIC-KRWDZBQOSA-N 2 1 330.472 3.249 20 0 EGADMP COC(=O)c1cc([C@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)oc1C ZINC000292780805 455755716 /nfs/dbraw/zinc/75/57/16/455755716.db2.gz ZBHXXRGEGIPCTM-SWLSCSKDSA-N 2 1 331.416 3.105 20 0 EGADMP COC(=O)c1cc([C@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)oc1C ZINC000292780805 455755720 /nfs/dbraw/zinc/75/57/20/455755720.db2.gz ZBHXXRGEGIPCTM-SWLSCSKDSA-N 2 1 331.416 3.105 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)OC(C)C ZINC000186378751 455756835 /nfs/dbraw/zinc/75/68/35/455756835.db2.gz XGECIARYQNGERZ-CIWUYKSXSA-N 2 1 334.504 3.480 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271781862 455757452 /nfs/dbraw/zinc/75/74/52/455757452.db2.gz DUHBKWDXRVGHKA-UHFFFAOYSA-N 2 1 338.499 3.208 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CC[C@](C)(c4ccccc4)C3)C2)CC1 ZINC000249843028 455778342 /nfs/dbraw/zinc/77/83/42/455778342.db2.gz NWYCINIIEJPPDI-BDTNDASRSA-N 2 1 341.543 3.209 20 0 EGADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[NH+]1C1CC1 ZINC000269083891 455785381 /nfs/dbraw/zinc/78/53/81/455785381.db2.gz PDFWAEPOSAEXBH-HNBVOPMISA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[NH+]1C1CC1 ZINC000269083891 455785389 /nfs/dbraw/zinc/78/53/89/455785389.db2.gz PDFWAEPOSAEXBH-HNBVOPMISA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC[N@H+]1C ZINC000186570020 455795968 /nfs/dbraw/zinc/79/59/68/455795968.db2.gz GAQWAEWRBQVARI-XYPHTWIQSA-N 2 1 343.437 3.380 20 0 EGADMP CC[N@H+](CCCn1cc[nH+]c1C)CC1CCN(c2ccccn2)CC1 ZINC000269135503 455796385 /nfs/dbraw/zinc/79/63/85/455796385.db2.gz QNDGMICQQIJZIH-UHFFFAOYSA-N 2 1 341.503 3.215 20 0 EGADMP CC[N@@H+](CCCn1cc[nH+]c1C)CC1CCN(c2ccccn2)CC1 ZINC000269135503 455796387 /nfs/dbraw/zinc/79/63/87/455796387.db2.gz QNDGMICQQIJZIH-UHFFFAOYSA-N 2 1 341.503 3.215 20 0 EGADMP COc1ccc(C[N@@H+](C)CCCn2ccnc2C)cc1OC(F)F ZINC000269137054 455796582 /nfs/dbraw/zinc/79/65/82/455796582.db2.gz UFLHSOVOSOGPCE-UHFFFAOYSA-N 2 1 339.386 3.324 20 0 EGADMP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1OC(F)F ZINC000269137054 455796588 /nfs/dbraw/zinc/79/65/88/455796588.db2.gz UFLHSOVOSOGPCE-UHFFFAOYSA-N 2 1 339.386 3.324 20 0 EGADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cncc(Br)c2)C1 ZINC000186591160 455800792 /nfs/dbraw/zinc/80/07/92/455800792.db2.gz OPSOVIUMOKZEPM-KBPBESRZSA-N 2 1 340.309 3.302 20 0 EGADMP CCCN(C(=O)c1ccc(C[N@@H+](CC)CCC)cc1)[C@H]1CC[NH2+]C1 ZINC000269167934 455802577 /nfs/dbraw/zinc/80/25/77/455802577.db2.gz GICFIVJTTFSDFS-IBGZPJMESA-N 2 1 331.504 3.133 20 0 EGADMP COc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)ccc1C ZINC000194182945 455813092 /nfs/dbraw/zinc/81/30/92/455813092.db2.gz OBJKGQDXKKYILH-UHFFFAOYSA-N 2 1 340.467 3.126 20 0 EGADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H](C)C(C)C ZINC000194406817 455838291 /nfs/dbraw/zinc/83/82/91/455838291.db2.gz CJPUFBJEDFDAQS-GOSISDBHSA-N 2 1 345.531 3.265 20 0 EGADMP FC(F)(F)c1cnc([C@H]2CCC[N@H+](Cc3cccc4nccn43)C2)[nH]1 ZINC000278650035 455843496 /nfs/dbraw/zinc/84/34/96/455843496.db2.gz JSFFNSHTZONYCZ-LBPRGKRZSA-N 2 1 349.360 3.456 20 0 EGADMP FC(F)(F)c1cnc([C@H]2CCC[N@@H+](Cc3cccc4nccn43)C2)[nH]1 ZINC000278650035 455843497 /nfs/dbraw/zinc/84/34/97/455843497.db2.gz JSFFNSHTZONYCZ-LBPRGKRZSA-N 2 1 349.360 3.456 20 0 EGADMP Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000285587170 455875576 /nfs/dbraw/zinc/87/55/76/455875576.db2.gz HQDAFBJKMNHHBP-OGWHTMIXSA-N 2 1 336.426 3.481 20 0 EGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000270368838 455940326 /nfs/dbraw/zinc/94/03/26/455940326.db2.gz JIJTUOQLABLYMQ-LJQANCHMSA-N 2 1 325.456 3.298 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261798523 455950487 /nfs/dbraw/zinc/95/04/87/455950487.db2.gz ZTEYNGWRSAJNDC-GOSISDBHSA-N 2 1 329.488 3.213 20 0 EGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000261807877 455952413 /nfs/dbraw/zinc/95/24/13/455952413.db2.gz OOJZHYSSJHVLRR-INIZCTEOSA-N 2 1 338.377 3.062 20 0 EGADMP Cc1ccnc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000286002077 455958520 /nfs/dbraw/zinc/95/85/20/455958520.db2.gz ITKKPKCOBFVCEJ-OAHLLOKOSA-N 2 1 325.460 3.116 20 0 EGADMP CC[N@@H+](Cc1cnc(N)s1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000261887193 455966078 /nfs/dbraw/zinc/96/60/78/455966078.db2.gz SEJQNAWPSZCQPZ-INIZCTEOSA-N 2 1 330.501 3.069 20 0 EGADMP CC[N@H+](Cc1cnc(N)s1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000261887193 455966084 /nfs/dbraw/zinc/96/60/84/455966084.db2.gz SEJQNAWPSZCQPZ-INIZCTEOSA-N 2 1 330.501 3.069 20 0 EGADMP CC[NH+](Cc1cnc(N)s1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261887193 455966091 /nfs/dbraw/zinc/96/60/91/455966091.db2.gz SEJQNAWPSZCQPZ-INIZCTEOSA-N 2 1 330.501 3.069 20 0 EGADMP CC[NH+](Cc1cnc(N)s1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261887193 455966099 /nfs/dbraw/zinc/96/60/99/455966099.db2.gz SEJQNAWPSZCQPZ-INIZCTEOSA-N 2 1 330.501 3.069 20 0 EGADMP C[NH2+]CCC1CC[NH+]([C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000261992262 455982661 /nfs/dbraw/zinc/98/26/61/455982661.db2.gz MHPVROWYPHAJBV-SFHVURJKSA-N 2 1 349.906 3.157 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC000296635234 455996405 /nfs/dbraw/zinc/99/64/05/455996405.db2.gz XQSJLZIJYSZCSC-WTXIUTQJSA-N 2 1 346.471 3.357 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC000296635234 455996407 /nfs/dbraw/zinc/99/64/07/455996407.db2.gz XQSJLZIJYSZCSC-WTXIUTQJSA-N 2 1 346.471 3.357 20 0 EGADMP Cc1nccn1CCCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272566252 455997032 /nfs/dbraw/zinc/99/70/32/455997032.db2.gz UUXXGLQKPYNSDL-WIYYLYMNSA-N 2 1 340.515 3.472 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272566252 455997038 /nfs/dbraw/zinc/99/70/38/455997038.db2.gz UUXXGLQKPYNSDL-WIYYLYMNSA-N 3 1 340.515 3.472 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272566252 455997040 /nfs/dbraw/zinc/99/70/40/455997040.db2.gz UUXXGLQKPYNSDL-WIYYLYMNSA-N 3 1 340.515 3.472 20 0 EGADMP C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272576577 456000389 /nfs/dbraw/zinc/00/03/89/456000389.db2.gz VTOFJZDOAWJIBX-JBACZVJFSA-N 2 1 346.515 3.072 20 0 EGADMP Fc1cc(Cl)ccc1N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000623756860 460706623 /nfs/dbraw/zinc/70/66/23/460706623.db2.gz IFCOJHQICUSHHH-HRCADAONSA-N 2 1 337.870 3.274 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000270681998 456013687 /nfs/dbraw/zinc/01/36/87/456013687.db2.gz UVOFEFIZKCMIOP-MOPGFXCFSA-N 2 1 331.435 3.309 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000270681998 456013693 /nfs/dbraw/zinc/01/36/93/456013693.db2.gz UVOFEFIZKCMIOP-MOPGFXCFSA-N 2 1 331.435 3.309 20 0 EGADMP CCc1oc2ccccc2c1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000272642255 456023170 /nfs/dbraw/zinc/02/31/70/456023170.db2.gz LTSSHZRHYATEPV-UHFFFAOYSA-N 2 1 329.488 3.065 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1)C(C)C ZINC000272640814 456023233 /nfs/dbraw/zinc/02/32/33/456023233.db2.gz OHKWAARXWDTGMA-AZUAARDMSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1)C(C)C ZINC000272640814 456023236 /nfs/dbraw/zinc/02/32/36/456023236.db2.gz OHKWAARXWDTGMA-AZUAARDMSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1)C(C)C ZINC000272640814 456023239 /nfs/dbraw/zinc/02/32/39/456023239.db2.gz OHKWAARXWDTGMA-AZUAARDMSA-N 2 1 343.515 3.083 20 0 EGADMP Cc1ccc([C@H](O)C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000272657434 456028320 /nfs/dbraw/zinc/02/83/20/456028320.db2.gz LZJTYXRPFUMVBX-NZSAHSFTSA-N 2 1 328.456 3.122 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000262987460 456074671 /nfs/dbraw/zinc/07/46/71/456074671.db2.gz NIFMPGSMZSGCDZ-QUCCMNQESA-N 2 1 331.504 3.051 20 0 EGADMP C[C@@H]1C[C@H](NCc2c(F)ccc(Br)c2F)CC[N@H+]1C ZINC000230309941 456135940 /nfs/dbraw/zinc/13/59/40/456135940.db2.gz MRWRXZPOENFLCY-NXEZZACHSA-N 2 1 333.220 3.300 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000301514016 456135489 /nfs/dbraw/zinc/13/54/89/456135489.db2.gz HMLBEVPWUPSKMS-VVLHAWIVSA-N 2 1 337.508 3.039 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000301514016 456135497 /nfs/dbraw/zinc/13/54/97/456135497.db2.gz HMLBEVPWUPSKMS-VVLHAWIVSA-N 2 1 337.508 3.039 20 0 EGADMP Cc1noc(C)c1CNC[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000236675228 456167139 /nfs/dbraw/zinc/16/71/39/456167139.db2.gz QNGRTYLVZZRUMF-FQEVSTJZSA-N 2 1 327.472 3.464 20 0 EGADMP Cc1noc(C)c1CNC[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000236675228 456167143 /nfs/dbraw/zinc/16/71/43/456167143.db2.gz QNGRTYLVZZRUMF-FQEVSTJZSA-N 2 1 327.472 3.464 20 0 EGADMP Cc1ccccc1C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000188929152 456173057 /nfs/dbraw/zinc/17/30/57/456173057.db2.gz GVURYZQWELNMCN-JOCHJYFZSA-N 2 1 338.495 3.153 20 0 EGADMP CCn1nccc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289984290 456205891 /nfs/dbraw/zinc/20/58/91/456205891.db2.gz ZZEJRAVHEIWRBA-LJQANCHMSA-N 2 1 326.488 3.295 20 0 EGADMP CCn1nccc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289984290 456205896 /nfs/dbraw/zinc/20/58/96/456205896.db2.gz ZZEJRAVHEIWRBA-LJQANCHMSA-N 2 1 326.488 3.295 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccccc2Cl)CC1 ZINC000263733612 456206752 /nfs/dbraw/zinc/20/67/52/456206752.db2.gz SWKLSNAWBQZWSI-UHFFFAOYSA-N 2 1 337.895 3.473 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1)C(C)C ZINC000236993168 456216026 /nfs/dbraw/zinc/21/60/26/456216026.db2.gz NOKXWITYCPKFGU-APWZRJJASA-N 2 1 331.504 3.116 20 0 EGADMP C[N@@H+](CCCNC(=O)CC[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000237066739 456225815 /nfs/dbraw/zinc/22/58/15/456225815.db2.gz LLOHQTHKINQPSD-LJQANCHMSA-N 2 1 331.504 3.237 20 0 EGADMP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000297676370 456274102 /nfs/dbraw/zinc/27/41/02/456274102.db2.gz OWQAPGLZYUXQSN-OAQYLSRUSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000297676370 456274106 /nfs/dbraw/zinc/27/41/06/456274106.db2.gz OWQAPGLZYUXQSN-OAQYLSRUSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)COCc1ccccc1 ZINC000352764053 456285088 /nfs/dbraw/zinc/28/50/88/456285088.db2.gz AFBUOJMOWPKOHJ-OAHLLOKOSA-N 2 1 333.501 3.147 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1OC(F)F ZINC000290380031 456310746 /nfs/dbraw/zinc/31/07/46/456310746.db2.gz IBIGEALFMVSOPX-LSDHHAIUSA-N 2 1 340.414 3.213 20 0 EGADMP COc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1OC(F)F ZINC000290380031 456310751 /nfs/dbraw/zinc/31/07/51/456310751.db2.gz IBIGEALFMVSOPX-LSDHHAIUSA-N 2 1 340.414 3.213 20 0 EGADMP COc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1OC(F)F ZINC000290380031 456310757 /nfs/dbraw/zinc/31/07/57/456310757.db2.gz IBIGEALFMVSOPX-LSDHHAIUSA-N 2 1 340.414 3.213 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000340231251 456326728 /nfs/dbraw/zinc/32/67/28/456326728.db2.gz NNWKXAVIJBYSLH-LSTHTHJFSA-N 2 1 326.488 3.253 20 0 EGADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000297956965 456332374 /nfs/dbraw/zinc/33/23/74/456332374.db2.gz WKXZANRVPWIHHW-UHFFFAOYSA-N 2 1 326.444 3.062 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000297994807 456340059 /nfs/dbraw/zinc/34/00/59/456340059.db2.gz YZKPFIRONYEMPH-MOPGFXCFSA-N 2 1 345.531 3.075 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000297994807 456340063 /nfs/dbraw/zinc/34/00/63/456340063.db2.gz YZKPFIRONYEMPH-MOPGFXCFSA-N 2 1 345.531 3.075 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CCCO1 ZINC000337267920 456342439 /nfs/dbraw/zinc/34/24/39/456342439.db2.gz WYHVIGXMXHYVIN-HBFSDRIKSA-N 2 1 331.504 3.198 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CCCO1 ZINC000337267920 456342445 /nfs/dbraw/zinc/34/24/45/456342445.db2.gz WYHVIGXMXHYVIN-HBFSDRIKSA-N 2 1 331.504 3.198 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000290559553 456363792 /nfs/dbraw/zinc/36/37/92/456363792.db2.gz SHJFMDQMTXFSON-UHFFFAOYSA-N 2 1 331.460 3.375 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000290559553 456363799 /nfs/dbraw/zinc/36/37/99/456363799.db2.gz SHJFMDQMTXFSON-UHFFFAOYSA-N 2 1 331.460 3.375 20 0 EGADMP CCCc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000337576075 456392855 /nfs/dbraw/zinc/39/28/55/456392855.db2.gz IOICKJIVQOGIBQ-FQEVSTJZSA-N 2 1 345.531 3.127 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(CC)CCC[NH+](C)C)cc1 ZINC000276227850 456419039 /nfs/dbraw/zinc/41/90/39/456419039.db2.gz NOZVIDMPDZRJGJ-UHFFFAOYSA-N 2 1 333.520 3.332 20 0 EGADMP CSC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000340398398 456437543 /nfs/dbraw/zinc/43/75/43/456437543.db2.gz ZWUGSHABVBNYNJ-MOPGFXCFSA-N 3 1 347.572 3.239 20 0 EGADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000340398398 456437546 /nfs/dbraw/zinc/43/75/46/456437546.db2.gz ZWUGSHABVBNYNJ-MOPGFXCFSA-N 3 1 347.572 3.239 20 0 EGADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(Cl)o2)[C@H](c2ccccc2)C1 ZINC000340401192 456438598 /nfs/dbraw/zinc/43/85/98/456438598.db2.gz SCZRCYBMFHMIKG-SFHVURJKSA-N 2 1 347.890 3.401 20 0 EGADMP c1ccc(OCc2ccncc2)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000340413988 456447563 /nfs/dbraw/zinc/44/75/63/456447563.db2.gz FGMIQYZJWYPBIR-GOSISDBHSA-N 2 1 337.467 3.235 20 0 EGADMP c1ccc(OCc2ccncc2)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000340413988 456447567 /nfs/dbraw/zinc/44/75/67/456447567.db2.gz FGMIQYZJWYPBIR-GOSISDBHSA-N 2 1 337.467 3.235 20 0 EGADMP CCCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000340494587 456492338 /nfs/dbraw/zinc/49/23/38/456492338.db2.gz FGDHCKPSUFWKLR-ZWKOTPCHSA-N 2 1 345.531 3.313 20 0 EGADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000353161358 456532147 /nfs/dbraw/zinc/53/21/47/456532147.db2.gz CMEUEOCCRNLTBZ-OAQYLSRUSA-N 2 1 345.531 3.074 20 0 EGADMP CC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[C@H](C)OC ZINC000291127630 456538457 /nfs/dbraw/zinc/53/84/57/456538457.db2.gz VVDUTEDWDQJCAV-KRWDZBQOSA-N 2 1 333.520 3.074 20 0 EGADMP CC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[C@@H](C)OC ZINC000291127631 456538576 /nfs/dbraw/zinc/53/85/76/456538576.db2.gz VVDUTEDWDQJCAV-QGZVFWFLSA-N 2 1 333.520 3.074 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cn(C(C)(C)C)nn1 ZINC000276644805 456540204 /nfs/dbraw/zinc/54/02/04/456540204.db2.gz RRADYWMCZHZYRT-QFBILLFUSA-N 2 1 341.503 3.033 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCCC[NH+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000340592422 456553674 /nfs/dbraw/zinc/55/36/74/456553674.db2.gz CCTXFAOQIZSPGM-QUCCMNQESA-N 2 1 345.531 3.308 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000340592422 456553676 /nfs/dbraw/zinc/55/36/76/456553676.db2.gz CCTXFAOQIZSPGM-QUCCMNQESA-N 2 1 345.531 3.308 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000340592422 456553679 /nfs/dbraw/zinc/55/36/79/456553679.db2.gz CCTXFAOQIZSPGM-QUCCMNQESA-N 2 1 345.531 3.308 20 0 EGADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000353242049 456581610 /nfs/dbraw/zinc/58/16/10/456581610.db2.gz HKAMTSLQYVKANN-FQEVSTJZSA-N 2 1 345.531 3.035 20 0 EGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000282689881 456593889 /nfs/dbraw/zinc/59/38/89/456593889.db2.gz PDTFKKWIQRREBY-UHFFFAOYSA-N 2 1 341.503 3.096 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282724204 456604071 /nfs/dbraw/zinc/60/40/71/456604071.db2.gz CTZZAGHOSPHSLQ-HNNXBMFYSA-N 2 1 332.517 3.312 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282724204 456604077 /nfs/dbraw/zinc/60/40/77/456604077.db2.gz CTZZAGHOSPHSLQ-HNNXBMFYSA-N 2 1 332.517 3.312 20 0 EGADMP Cc1nc(C)c(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000348311615 456614809 /nfs/dbraw/zinc/61/48/09/456614809.db2.gz ZWDNRGZYBGEEHH-ROUUACIJSA-N 2 1 327.497 3.324 20 0 EGADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000320718977 456632234 /nfs/dbraw/zinc/63/22/34/456632234.db2.gz VKXYKYLBBFPSDH-AOIWGVFYSA-N 2 1 346.515 3.464 20 0 EGADMP c1[nH]c2nccnc2c1CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000291433437 456641652 /nfs/dbraw/zinc/64/16/52/456641652.db2.gz BJMOPGMYSGPREY-NRFANRHFSA-N 2 1 347.466 3.056 20 0 EGADMP c1[nH]c2nccnc2c1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000291433437 456641662 /nfs/dbraw/zinc/64/16/62/456641662.db2.gz BJMOPGMYSGPREY-NRFANRHFSA-N 2 1 347.466 3.056 20 0 EGADMP c1[nH]c2nccnc2c1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000291433437 456641666 /nfs/dbraw/zinc/64/16/66/456641666.db2.gz BJMOPGMYSGPREY-NRFANRHFSA-N 2 1 347.466 3.056 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3CCCF)cc2)CC1 ZINC000337993698 456643305 /nfs/dbraw/zinc/64/33/05/456643305.db2.gz SPCOEKDYQBREOT-NHCUHLMSSA-N 2 1 347.522 3.442 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000277022567 456655443 /nfs/dbraw/zinc/65/54/43/456655443.db2.gz DJNOVBVWLPTITC-QANQIFJLSA-N 2 1 348.506 3.218 20 0 EGADMP COC1(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CCOCC1 ZINC000277055414 456665532 /nfs/dbraw/zinc/66/55/32/456665532.db2.gz QTGNWJQANDXYDG-SFHVURJKSA-N 2 1 346.515 3.204 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2C)c2ccccc21 ZINC000282997931 456686187 /nfs/dbraw/zinc/68/61/87/456686187.db2.gz GBFIRSNQFQPODD-RTBURBONSA-N 2 1 341.455 3.353 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000338187552 456692834 /nfs/dbraw/zinc/69/28/34/456692834.db2.gz MJTLHWKNHLVXMC-XLIONFOSSA-N 2 1 345.531 3.473 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000338195562 456698834 /nfs/dbraw/zinc/69/88/34/456698834.db2.gz ZRGDYIYIPQXCSX-HXUWFJFHSA-N 2 1 343.515 3.275 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338213293 456709776 /nfs/dbraw/zinc/70/97/76/456709776.db2.gz FZKIYDMOXXZIAI-GHTZIAJQSA-N 2 1 338.499 3.470 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338213293 456709780 /nfs/dbraw/zinc/70/97/80/456709780.db2.gz FZKIYDMOXXZIAI-GHTZIAJQSA-N 2 1 338.499 3.470 20 0 EGADMP COC(=O)c1oc([C@H](C)[N@H+](C)CCCN(C)Cc2ccco2)cc1C ZINC000353553485 456755215 /nfs/dbraw/zinc/75/52/15/456755215.db2.gz DWQCRXNTMHTONL-HNNXBMFYSA-N 2 1 348.443 3.483 20 0 EGADMP COC(=O)c1oc([C@H](C)[N@@H+](C)CCCN(C)Cc2ccco2)cc1C ZINC000353553485 456755219 /nfs/dbraw/zinc/75/52/19/456755219.db2.gz DWQCRXNTMHTONL-HNNXBMFYSA-N 2 1 348.443 3.483 20 0 EGADMP COc1ccc([C@@H](O)C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000291855077 456778109 /nfs/dbraw/zinc/77/81/09/456778109.db2.gz PEYCQFGDEWRQAH-PZJWPPBQSA-N 2 1 346.515 3.315 20 0 EGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CC[C@@H]4CCOC4)C3)CC2)cc1 ZINC000353649449 456829451 /nfs/dbraw/zinc/82/94/51/456829451.db2.gz XGDCOLRJMZWFMH-HXUWFJFHSA-N 2 1 328.500 3.401 20 0 EGADMP Cc1nccn1CCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000348755374 456842460 /nfs/dbraw/zinc/84/24/60/456842460.db2.gz GWAPYTNSEUIFER-GOSISDBHSA-N 2 1 344.528 3.287 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000348755374 456842467 /nfs/dbraw/zinc/84/24/67/456842467.db2.gz GWAPYTNSEUIFER-GOSISDBHSA-N 3 1 344.528 3.287 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000348755374 456842470 /nfs/dbraw/zinc/84/24/70/456842470.db2.gz GWAPYTNSEUIFER-GOSISDBHSA-N 3 1 344.528 3.287 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)C1CC[NH+](C2CC2)CC1 ZINC000338817218 456860949 /nfs/dbraw/zinc/86/09/49/456860949.db2.gz UJFSDMFCLAUFHZ-HXUWFJFHSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[C@@](CNC2CC[NH+](Cc3ccccn3)CC2)([NH+](C)C)C1 ZINC000341512401 456871887 /nfs/dbraw/zinc/87/18/87/456871887.db2.gz SHXHJQJMYZDLKO-WIYYLYMNSA-N 2 1 344.547 3.146 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnc([C@@H]4CCCO4)s3)C2)CC1 ZINC000349194241 456909976 /nfs/dbraw/zinc/90/99/76/456909976.db2.gz RRKHTGPNOAIDPI-WBVHZDCISA-N 2 1 335.517 3.158 20 0 EGADMP c1ccc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000339066168 456924270 /nfs/dbraw/zinc/92/42/70/456924270.db2.gz IGNDBBBQIYTPRD-LEWJYISDSA-N 3 1 327.516 3.115 20 0 EGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)CCC2 ZINC000339067391 456924609 /nfs/dbraw/zinc/92/46/09/456924609.db2.gz HGTIAAPSPQBSMX-NRFANRHFSA-N 2 1 329.532 3.236 20 0 EGADMP CC(C)CCC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000349419368 456967046 /nfs/dbraw/zinc/96/70/46/456967046.db2.gz PIJOAKCBFNKRAN-ROUUACIJSA-N 2 1 326.525 3.013 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000353934814 456971917 /nfs/dbraw/zinc/97/19/17/456971917.db2.gz YIEQNPVYPMFFCQ-ATLSCFEFSA-N 2 1 332.488 3.412 20 0 EGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCC3CCCC3)CC2)C[C@H](C)O1 ZINC000358871978 457015835 /nfs/dbraw/zinc/01/58/35/457015835.db2.gz LGBGAWOOJLKNIS-HDICACEKSA-N 2 1 338.536 3.157 20 0 EGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCC3CCCC3)CC2)C[C@H](C)O1 ZINC000358871978 457015837 /nfs/dbraw/zinc/01/58/37/457015837.db2.gz LGBGAWOOJLKNIS-HDICACEKSA-N 2 1 338.536 3.157 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2(C[NH+](C)C)CCC2)cc1 ZINC000341967694 457030529 /nfs/dbraw/zinc/03/05/29/457030529.db2.gz PVSFZXLYXOWJJW-UHFFFAOYSA-N 2 1 331.504 3.133 20 0 EGADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000354057579 457035849 /nfs/dbraw/zinc/03/58/49/457035849.db2.gz XAACBXOWWMQEQH-DZGCQCFKSA-N 2 1 330.501 3.437 20 0 EGADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000354057579 457035854 /nfs/dbraw/zinc/03/58/54/457035854.db2.gz XAACBXOWWMQEQH-DZGCQCFKSA-N 2 1 330.501 3.437 20 0 EGADMP Cc1ccc(O)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000356535235 457042048 /nfs/dbraw/zinc/04/20/48/457042048.db2.gz XCKCDEHLWZPUKO-RTBURBONSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1ccc(O)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000356535235 457042053 /nfs/dbraw/zinc/04/20/53/457042053.db2.gz XCKCDEHLWZPUKO-RTBURBONSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1ccc(O)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000356535235 457042055 /nfs/dbraw/zinc/04/20/55/457042055.db2.gz XCKCDEHLWZPUKO-RTBURBONSA-N 2 1 337.467 3.050 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000354078622 457047906 /nfs/dbraw/zinc/04/79/06/457047906.db2.gz VMNGXCJUTAJWOD-MRXNPFEDSA-N 2 1 337.533 3.343 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359288802 457071555 /nfs/dbraw/zinc/07/15/55/457071555.db2.gz NHSBWEGOSYJICP-ACJLOTCBSA-N 2 1 329.444 3.304 20 0 EGADMP CC(C)C[C@H]([NH3+])c1noc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000339397646 457092593 /nfs/dbraw/zinc/09/25/93/457092593.db2.gz RUFKEYQSNIZPDY-IRXDYDNUSA-N 2 1 328.460 3.495 20 0 EGADMP CC[C@@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)[NH+](CC)CC ZINC000342107827 457111661 /nfs/dbraw/zinc/11/16/61/457111661.db2.gz RRTPJCQMUYDHRY-IBGZPJMESA-N 2 1 331.504 3.382 20 0 EGADMP CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000339441836 457121167 /nfs/dbraw/zinc/12/11/67/457121167.db2.gz QMKBGKHDLMYYOF-HXUWFJFHSA-N 2 1 330.472 3.170 20 0 EGADMP CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000339441836 457121171 /nfs/dbraw/zinc/12/11/71/457121171.db2.gz QMKBGKHDLMYYOF-HXUWFJFHSA-N 2 1 330.472 3.170 20 0 EGADMP CC(C)OC(=O)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000339441836 457121175 /nfs/dbraw/zinc/12/11/75/457121175.db2.gz QMKBGKHDLMYYOF-HXUWFJFHSA-N 2 1 330.472 3.170 20 0 EGADMP CC(C)OC(=O)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000339441836 457121180 /nfs/dbraw/zinc/12/11/80/457121180.db2.gz QMKBGKHDLMYYOF-HXUWFJFHSA-N 2 1 330.472 3.170 20 0 EGADMP C(CC[N@H+]1CCCO[C@H]2CCC[C@H]21)C[NH+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000359866524 457136667 /nfs/dbraw/zinc/13/66/67/457136667.db2.gz IFBXPPGHDLXSJB-JVSBHGNQSA-N 2 1 336.520 3.053 20 0 EGADMP C(CC[N@@H+]1CCCO[C@@H]2CCC[C@@H]21)C[NH+]1CCCO[C@H]2CCC[C@H]21 ZINC000359866524 457136669 /nfs/dbraw/zinc/13/66/69/457136669.db2.gz IFBXPPGHDLXSJB-JVSBHGNQSA-N 2 1 336.520 3.053 20 0 EGADMP C(CC[N@H+]1CCCO[C@@H]2CCC[C@@H]21)C[NH+]1CCCO[C@H]2CCC[C@H]21 ZINC000359866524 457136670 /nfs/dbraw/zinc/13/66/70/457136670.db2.gz IFBXPPGHDLXSJB-JVSBHGNQSA-N 2 1 336.520 3.053 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000356784942 457165873 /nfs/dbraw/zinc/16/58/73/457165873.db2.gz VNBYTFBASHFTCK-SFHVURJKSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)N(C)c1ccc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000359963867 457174998 /nfs/dbraw/zinc/17/49/98/457174998.db2.gz NZTKEOBWTTUJBM-QZTJIDSGSA-N 2 1 332.536 3.384 20 0 EGADMP C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)cn1 ZINC000359972959 457179727 /nfs/dbraw/zinc/17/97/27/457179727.db2.gz ZKHIXQSNWOPBRP-KBXCAEBGSA-N 2 1 345.874 3.152 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)cn1 ZINC000359972959 457179736 /nfs/dbraw/zinc/17/97/36/457179736.db2.gz ZKHIXQSNWOPBRP-KBXCAEBGSA-N 2 1 345.874 3.152 20 0 EGADMP COC1(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CCCCC1 ZINC000359974971 457180865 /nfs/dbraw/zinc/18/08/65/457180865.db2.gz IVTXVIFKQMCCIX-GOSISDBHSA-N 2 1 346.515 3.346 20 0 EGADMP COC1(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CCCCC1 ZINC000359974971 457180872 /nfs/dbraw/zinc/18/08/72/457180872.db2.gz IVTXVIFKQMCCIX-GOSISDBHSA-N 2 1 346.515 3.346 20 0 EGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](CC(N)=O)c2ccccc2)CC1 ZINC000354370958 457186840 /nfs/dbraw/zinc/18/68/40/457186840.db2.gz KLKHGMPAYAIKIJ-UXPWSPDFSA-N 2 1 343.515 3.236 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)CC2(C)C)cc1 ZINC000346897313 457189348 /nfs/dbraw/zinc/18/93/48/457189348.db2.gz DUYFBZZBBNBYJL-UHFFFAOYSA-N 2 1 331.504 3.085 20 0 EGADMP c1ccc(OCc2cccnc2)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000363000689 457191285 /nfs/dbraw/zinc/19/12/85/457191285.db2.gz PIPKXGDLXVANRZ-VQTJNVASSA-N 2 1 337.467 3.377 20 0 EGADMP c1ccc(OCc2cccnc2)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000363000689 457191293 /nfs/dbraw/zinc/19/12/93/457191293.db2.gz PIPKXGDLXVANRZ-VQTJNVASSA-N 2 1 337.467 3.377 20 0 EGADMP C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000360001087 457195371 /nfs/dbraw/zinc/19/53/71/457195371.db2.gz NUZIVXDPIIXGMQ-HXUWFJFHSA-N 2 1 337.467 3.351 20 0 EGADMP C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000360001087 457195376 /nfs/dbraw/zinc/19/53/76/457195376.db2.gz NUZIVXDPIIXGMQ-HXUWFJFHSA-N 2 1 337.467 3.351 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000347039000 457197525 /nfs/dbraw/zinc/19/75/25/457197525.db2.gz ZLMCYOBMPFEYOV-MSOLQXFVSA-N 2 1 345.531 3.276 20 0 EGADMP CC[N@@H+](CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1)CC1CC1 ZINC000356894876 457203873 /nfs/dbraw/zinc/20/38/73/457203873.db2.gz OCGWLFQRTCRCNG-HDICACEKSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1)CC1CC1 ZINC000356894876 457203883 /nfs/dbraw/zinc/20/38/83/457203883.db2.gz OCGWLFQRTCRCNG-HDICACEKSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)CC1CC1 ZINC000356894876 457203895 /nfs/dbraw/zinc/20/38/95/457203895.db2.gz OCGWLFQRTCRCNG-HDICACEKSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000360041297 457219472 /nfs/dbraw/zinc/21/94/72/457219472.db2.gz PDWMYNABVSVUJZ-SZMVWBNQSA-N 2 1 329.488 3.237 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000354444845 457226484 /nfs/dbraw/zinc/22/64/84/457226484.db2.gz YJTBHHCAFNWWDM-ZHALLVOQSA-N 2 1 343.515 3.059 20 0 EGADMP C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347097269 457227565 /nfs/dbraw/zinc/22/75/65/457227565.db2.gz JGLQMSBFLXTIQP-SJPCQFCGSA-N 2 1 330.863 3.445 20 0 EGADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347097269 457227569 /nfs/dbraw/zinc/22/75/69/457227569.db2.gz JGLQMSBFLXTIQP-SJPCQFCGSA-N 2 1 330.863 3.445 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)cc1)C1CC1 ZINC000360084185 457247196 /nfs/dbraw/zinc/24/71/96/457247196.db2.gz JEFQHHKZSCOXDR-GOSISDBHSA-N 2 1 343.515 3.085 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1)C1CC1 ZINC000360084185 457247197 /nfs/dbraw/zinc/24/71/97/457247197.db2.gz JEFQHHKZSCOXDR-GOSISDBHSA-N 2 1 343.515 3.085 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1)C1CC1 ZINC000360084185 457247199 /nfs/dbraw/zinc/24/71/99/457247199.db2.gz JEFQHHKZSCOXDR-GOSISDBHSA-N 2 1 343.515 3.085 20 0 EGADMP C[NH+](C)[C@H](CNc1cc[nH+]cc1Br)c1cccs1 ZINC000339968930 457318414 /nfs/dbraw/zinc/31/84/14/457318414.db2.gz KYRXTHAXTNTBBX-GFCCVEGCSA-N 2 1 326.263 3.042 20 0 EGADMP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000357119607 457333177 /nfs/dbraw/zinc/33/31/77/457333177.db2.gz KAYYIPURHRJODZ-IBGZPJMESA-N 2 1 335.536 3.166 20 0 EGADMP Cn1cnc2cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc21 ZINC000355341662 457359420 /nfs/dbraw/zinc/35/94/20/457359420.db2.gz XTHXZJYLNAJWPI-PMACEKPBSA-N 2 1 346.478 3.137 20 0 EGADMP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)sc2C1 ZINC000357211192 457375900 /nfs/dbraw/zinc/37/59/00/457375900.db2.gz GBUAPSHYOYBJEW-CABCVRRESA-N 2 1 344.528 3.456 20 0 EGADMP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)sc2C1 ZINC000357211192 457375907 /nfs/dbraw/zinc/37/59/07/457375907.db2.gz GBUAPSHYOYBJEW-CABCVRRESA-N 2 1 344.528 3.456 20 0 EGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000352503428 457421389 /nfs/dbraw/zinc/42/13/89/457421389.db2.gz GELZMFLLPBVZAK-KRWDZBQOSA-N 2 1 325.456 3.372 20 0 EGADMP C[N@@H+](CCCC1CC[NH2+]CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382757565 457424087 /nfs/dbraw/zinc/42/40/87/457424087.db2.gz RCSHMGPCTAGABY-OAQYLSRUSA-N 3 1 329.532 3.220 20 0 EGADMP C[NH+](CCCC1CC[NH2+]CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382757565 457424091 /nfs/dbraw/zinc/42/40/91/457424091.db2.gz RCSHMGPCTAGABY-OAQYLSRUSA-N 3 1 329.532 3.220 20 0 EGADMP C[NH+](CCCC1CC[NH2+]CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382757565 457424096 /nfs/dbraw/zinc/42/40/96/457424096.db2.gz RCSHMGPCTAGABY-OAQYLSRUSA-N 3 1 329.532 3.220 20 0 EGADMP C[N@H+](CCCC1CC[NH2+]CC1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000382757565 457424099 /nfs/dbraw/zinc/42/40/99/457424099.db2.gz RCSHMGPCTAGABY-OAQYLSRUSA-N 2 1 329.532 3.220 20 0 EGADMP C[N@@H+](CCCC1CC[NH2+]CC1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000382757565 457424104 /nfs/dbraw/zinc/42/41/04/457424104.db2.gz RCSHMGPCTAGABY-OAQYLSRUSA-N 2 1 329.532 3.220 20 0 EGADMP Cn1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)c(-c2cccs2)n1 ZINC000352526705 457439853 /nfs/dbraw/zinc/43/98/53/457439853.db2.gz QVWQJOSNUOUJGH-UHFFFAOYSA-N 2 1 332.517 3.490 20 0 EGADMP CCCCOc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000352546306 457455691 /nfs/dbraw/zinc/45/56/91/457455691.db2.gz SRPBIDVHIUNFSN-HXUWFJFHSA-N 2 1 332.488 3.450 20 0 EGADMP CCCCOc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000352546306 457455693 /nfs/dbraw/zinc/45/56/93/457455693.db2.gz SRPBIDVHIUNFSN-HXUWFJFHSA-N 2 1 332.488 3.450 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000360949175 457456305 /nfs/dbraw/zinc/45/63/05/457456305.db2.gz ZLEXDORQCQLBEK-RDTXWAMCSA-N 2 1 329.419 3.443 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000360949175 457456312 /nfs/dbraw/zinc/45/63/12/457456312.db2.gz ZLEXDORQCQLBEK-RDTXWAMCSA-N 2 1 329.419 3.443 20 0 EGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000392294480 457459382 /nfs/dbraw/zinc/45/93/82/457459382.db2.gz PRQGFJQMXGJPCR-WBVHZDCISA-N 2 1 337.508 3.016 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1)C(C)C ZINC000357384573 457485357 /nfs/dbraw/zinc/48/53/57/457485357.db2.gz FKXJMEFYQZSBBW-QFBILLFUSA-N 2 1 331.504 3.129 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc(C(C)(C)C)nc2)[C@H](C)C1 ZINC000342730035 457485610 /nfs/dbraw/zinc/48/56/10/457485610.db2.gz PGMVWILFPPXIHO-SJLPKXTDSA-N 2 1 348.535 3.001 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnc(C(C)(C)C)nc2)[C@H](C)C1 ZINC000342730035 457485617 /nfs/dbraw/zinc/48/56/17/457485617.db2.gz PGMVWILFPPXIHO-SJLPKXTDSA-N 2 1 348.535 3.001 20 0 EGADMP C[C@@H](CCc1ccsc1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000360982277 457488152 /nfs/dbraw/zinc/48/81/52/457488152.db2.gz IAYAXWXTUDAJDF-PXNSSMCTSA-N 2 1 344.524 3.296 20 0 EGADMP C[C@@H](CCc1ccsc1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000360982277 457488163 /nfs/dbraw/zinc/48/81/63/457488163.db2.gz IAYAXWXTUDAJDF-PXNSSMCTSA-N 2 1 344.524 3.296 20 0 EGADMP Cc1ccccc1CCC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000364136897 457494333 /nfs/dbraw/zinc/49/43/33/457494333.db2.gz XJHPMOKDJRBMIZ-NRFANRHFSA-N 2 1 329.532 3.028 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]CC2(SC)CCC2)CC1 ZINC000356171289 457503611 /nfs/dbraw/zinc/50/36/11/457503611.db2.gz AGGXQGWZZONVRC-UHFFFAOYSA-N 2 1 347.572 3.199 20 0 EGADMP CSC1(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CCC1 ZINC000356183316 457512745 /nfs/dbraw/zinc/51/27/45/457512745.db2.gz NWELJVMETADSCP-IBGZPJMESA-N 2 1 347.572 3.241 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000401130665 457524166 /nfs/dbraw/zinc/52/41/66/457524166.db2.gz NQDBLWSSNBFNJB-GHRYLNIYSA-N 3 1 327.516 3.017 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000401130665 457524173 /nfs/dbraw/zinc/52/41/73/457524173.db2.gz NQDBLWSSNBFNJB-GHRYLNIYSA-N 3 1 327.516 3.017 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1)C1CC1 ZINC000357446298 457532485 /nfs/dbraw/zinc/53/24/85/457532485.db2.gz SKSMODXRDAVTAY-IBGZPJMESA-N 2 1 345.531 3.377 20 0 EGADMP Cc1[nH+]c2c(Cl)cccc2c(N2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000357453651 457537568 /nfs/dbraw/zinc/53/75/68/457537568.db2.gz KGUWRRCSJJNGJI-GFCCVEGCSA-N 2 1 333.863 3.008 20 0 EGADMP CN(C)c1cc[nH+]cc1CNC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000374279595 457563574 /nfs/dbraw/zinc/56/35/74/457563574.db2.gz KXSPBCTXIWBLBG-NRFANRHFSA-N 2 1 338.499 3.149 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(Cc3ccc(F)cc3)CC2)s1 ZINC000352733106 457567783 /nfs/dbraw/zinc/56/77/83/457567783.db2.gz RDELZCGTHZWCRE-UHFFFAOYSA-N 2 1 333.476 3.456 20 0 EGADMP CO[C@@H](C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C1CC1 ZINC000425483641 457572731 /nfs/dbraw/zinc/57/27/31/457572731.db2.gz RTGIFPZOYGHNHS-FQEVSTJZSA-N 2 1 328.500 3.400 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425498820 457577351 /nfs/dbraw/zinc/57/73/51/457577351.db2.gz HJCNCHTZSXKUNY-LEWJYISDSA-N 2 1 338.499 3.178 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425498820 457577353 /nfs/dbraw/zinc/57/73/53/457577353.db2.gz HJCNCHTZSXKUNY-LEWJYISDSA-N 2 1 338.499 3.178 20 0 EGADMP COCC[N@H+](C)CC[C@@H](Nc1cc[nH+]cc1Cl)c1ccccc1 ZINC000352745621 457577399 /nfs/dbraw/zinc/57/73/99/457577399.db2.gz LBVQLEWQYXSQLQ-QGZVFWFLSA-N 2 1 333.863 3.278 20 0 EGADMP COCC[N@@H+](C)CC[C@@H](Nc1cc[nH+]cc1Cl)c1ccccc1 ZINC000352745621 457577402 /nfs/dbraw/zinc/57/74/02/457577402.db2.gz LBVQLEWQYXSQLQ-QGZVFWFLSA-N 2 1 333.863 3.278 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]3CN(CCC[NH+]4CCCCC4)C[C@H]32)cc1 ZINC000425502533 457579030 /nfs/dbraw/zinc/57/90/30/457579030.db2.gz QAJGIGPBGHUKTG-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000357789892 457690809 /nfs/dbraw/zinc/69/08/09/457690809.db2.gz FSCUZIZFNLOBPK-GGPKGHCWSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000357789892 457690814 /nfs/dbraw/zinc/69/08/14/457690814.db2.gz FSCUZIZFNLOBPK-GGPKGHCWSA-N 2 1 343.515 3.030 20 0 EGADMP c1ccc(C[N@@H+]2CCC3(C2)CCN(CC[NH+]2CCCCC2)CC3)cc1 ZINC000370649521 457690810 /nfs/dbraw/zinc/69/08/10/457690810.db2.gz FHSKVFWPIZHVRT-UHFFFAOYSA-N 2 1 341.543 3.460 20 0 EGADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](CCN2CCCCC2)CC3)cc1 ZINC000370649521 457690813 /nfs/dbraw/zinc/69/08/13/457690813.db2.gz FHSKVFWPIZHVRT-UHFFFAOYSA-N 2 1 341.543 3.460 20 0 EGADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CCN2CCCCC2)CC3)cc1 ZINC000370649521 457690817 /nfs/dbraw/zinc/69/08/17/457690817.db2.gz FHSKVFWPIZHVRT-UHFFFAOYSA-N 2 1 341.543 3.460 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000357789892 457690818 /nfs/dbraw/zinc/69/08/18/457690818.db2.gz FSCUZIZFNLOBPK-GGPKGHCWSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)CC[N@@H+]1C ZINC000370654878 457691711 /nfs/dbraw/zinc/69/17/11/457691711.db2.gz YIOWAFUDZUUBST-HOCLYGCPSA-N 2 1 344.528 3.337 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)CC[N@H+]1C ZINC000370654878 457691717 /nfs/dbraw/zinc/69/17/17/457691717.db2.gz YIOWAFUDZUUBST-HOCLYGCPSA-N 2 1 344.528 3.337 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(C[NH+](C)C)CC2)cc1)C(C)C ZINC000358013427 457739417 /nfs/dbraw/zinc/73/94/17/457739417.db2.gz LGZLQMPHBDWGCN-UHFFFAOYSA-N 2 1 345.531 3.331 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000358021339 457742309 /nfs/dbraw/zinc/74/23/09/457742309.db2.gz NKHTUCJRNOWLAH-NSISKUIASA-N 2 1 337.467 3.439 20 0 EGADMP CN(Cc1ccccc1Cl)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425957423 457747022 /nfs/dbraw/zinc/74/70/22/457747022.db2.gz IFKZPKILKSUHES-HXUWFJFHSA-N 2 1 344.886 3.409 20 0 EGADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC000426033298 457762893 /nfs/dbraw/zinc/76/28/93/457762893.db2.gz DXRAFCBABINHRA-OALUTQOASA-N 2 1 328.500 3.407 20 0 EGADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC000426033298 457762897 /nfs/dbraw/zinc/76/28/97/457762897.db2.gz DXRAFCBABINHRA-OALUTQOASA-N 2 1 328.500 3.407 20 0 EGADMP C[C@H](c1cccnc1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371154681 457809769 /nfs/dbraw/zinc/80/97/69/457809769.db2.gz FJFLFHJWXLGULK-GOSISDBHSA-N 2 1 344.547 3.271 20 0 EGADMP C[C@H](c1cccnc1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371154681 457809775 /nfs/dbraw/zinc/80/97/75/457809775.db2.gz FJFLFHJWXLGULK-GOSISDBHSA-N 3 1 344.547 3.271 20 0 EGADMP C[C@H](c1cccnc1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371154681 457809779 /nfs/dbraw/zinc/80/97/79/457809779.db2.gz FJFLFHJWXLGULK-GOSISDBHSA-N 3 1 344.547 3.271 20 0 EGADMP c1ncn([C@@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000411247646 457841259 /nfs/dbraw/zinc/84/12/59/457841259.db2.gz RCJPOCWKPXAVMC-HXUWFJFHSA-N 2 1 339.487 3.101 20 0 EGADMP COC(=O)C[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411403844 457876602 /nfs/dbraw/zinc/87/66/02/457876602.db2.gz XLOFMHWHIDRERB-LJQANCHMSA-N 2 1 330.472 3.200 20 0 EGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3cnc4cc(C)ccn34)C1)CCCC2 ZINC000433767577 457882141 /nfs/dbraw/zinc/88/21/41/457882141.db2.gz UNVLTGZZLYGCGR-KRWDZBQOSA-N 2 1 349.482 3.473 20 0 EGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3cnc4cc(C)ccn34)C1)CCCC2 ZINC000433767577 457882145 /nfs/dbraw/zinc/88/21/45/457882145.db2.gz UNVLTGZZLYGCGR-KRWDZBQOSA-N 2 1 349.482 3.473 20 0 EGADMP CC(C)C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358250017 457888131 /nfs/dbraw/zinc/88/81/31/457888131.db2.gz JBEUOAMHHPVBKK-IRXDYDNUSA-N 2 1 344.421 3.449 20 0 EGADMP CC(C)C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358250017 457888136 /nfs/dbraw/zinc/88/81/36/457888136.db2.gz JBEUOAMHHPVBKK-IRXDYDNUSA-N 2 1 344.421 3.449 20 0 EGADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1(CCO)CCOCC1 ZINC000411491939 457902841 /nfs/dbraw/zinc/90/28/41/457902841.db2.gz FTQUBEXGLGVIBV-UHFFFAOYSA-N 2 1 346.515 3.036 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(OC)c2)[C@@H](C)C1 ZINC000358295425 457917331 /nfs/dbraw/zinc/91/73/31/457917331.db2.gz FCWSRDINNGMNAB-HNAYVOBHSA-N 2 1 338.467 3.061 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(OC)c2)[C@@H](C)C1 ZINC000358295425 457917334 /nfs/dbraw/zinc/91/73/34/457917334.db2.gz FCWSRDINNGMNAB-HNAYVOBHSA-N 2 1 338.467 3.061 20 0 EGADMP CCc1nc2c(s1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)CCC2 ZINC000358299030 457918925 /nfs/dbraw/zinc/91/89/25/457918925.db2.gz IYAYXCIWWCKDHG-OIISXLGYSA-N 2 1 349.544 3.050 20 0 EGADMP O[C@]1(C[NH2+][C@@H]2CCCc3sccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000361876063 457923414 /nfs/dbraw/zinc/92/34/14/457923414.db2.gz CJPYCFRFBGVPHU-QUCCMNQESA-N 2 1 342.508 3.352 20 0 EGADMP O[C@]1(C[NH2+][C@@H]2CCCc3sccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000361876063 457923417 /nfs/dbraw/zinc/92/34/17/457923417.db2.gz CJPYCFRFBGVPHU-QUCCMNQESA-N 2 1 342.508 3.352 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCSC1CCCCC1 ZINC000367042340 457924438 /nfs/dbraw/zinc/92/44/38/457924438.db2.gz GMBNQNIODBOACP-NJAFHUGGSA-N 2 1 326.550 3.236 20 0 EGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1csc(C(=O)OC)c1 ZINC000411632435 457934047 /nfs/dbraw/zinc/93/40/47/457934047.db2.gz PQRSCMMAHQOTJT-UHFFFAOYSA-N 2 1 335.473 3.206 20 0 EGADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361892596 457937132 /nfs/dbraw/zinc/93/71/32/457937132.db2.gz WLYUPAQSCMCAGA-YADHBBJMSA-N 2 1 336.479 3.209 20 0 EGADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361892596 457937138 /nfs/dbraw/zinc/93/71/38/457937138.db2.gz WLYUPAQSCMCAGA-YADHBBJMSA-N 2 1 336.479 3.209 20 0 EGADMP c1nc2ccccc2n1-c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427124382 457947666 /nfs/dbraw/zinc/94/76/66/457947666.db2.gz QYYNEKXCUBQTSF-IEBWSBKVSA-N 2 1 332.451 3.209 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc2c1OC(C)(C)C2 ZINC000371470498 457950040 /nfs/dbraw/zinc/95/00/40/457950040.db2.gz LXHZNCCKXBJRBC-CEXWTWQISA-N 2 1 344.499 3.084 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc2c1OC(C)(C)C2 ZINC000371470498 457950047 /nfs/dbraw/zinc/95/00/47/457950047.db2.gz LXHZNCCKXBJRBC-CEXWTWQISA-N 2 1 344.499 3.084 20 0 EGADMP c1[nH]c2ncccc2c1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000358349735 457951991 /nfs/dbraw/zinc/95/19/91/457951991.db2.gz YJJCTMJEBMIILJ-UHFFFAOYSA-N 2 1 348.494 3.402 20 0 EGADMP CON1CCC([N@@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411818699 457985176 /nfs/dbraw/zinc/98/51/76/457985176.db2.gz POWPOKYNVORBJA-UHFFFAOYSA-N 2 1 331.504 3.130 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(Cc2cncc(F)c2)CC1 ZINC000434645208 458028004 /nfs/dbraw/zinc/02/80/04/458028004.db2.gz YJFFGDXKQJCMBK-LJQANCHMSA-N 2 1 328.435 3.102 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434687913 458036440 /nfs/dbraw/zinc/03/64/40/458036440.db2.gz GIGIXIXJFUTELS-SFHVURJKSA-N 2 1 330.520 3.273 20 0 EGADMP O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]2C1 ZINC000412040677 458059059 /nfs/dbraw/zinc/05/90/59/458059059.db2.gz ISWSHXCTRMOODA-PCCBWWKXSA-N 2 1 328.500 3.265 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCCc4ccccc43)C2)CC1 ZINC000375906095 458118738 /nfs/dbraw/zinc/11/87/38/458118738.db2.gz OFVVMSWNHMDOBB-FPOVZHCZSA-N 2 1 327.516 3.164 20 0 EGADMP C[C@@H]([NH2+]CCN1CCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000428325737 458120911 /nfs/dbraw/zinc/12/09/11/458120911.db2.gz NTMJXVMSSQLVKP-MJGOQNOKSA-N 2 1 327.516 3.292 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000435371969 458122076 /nfs/dbraw/zinc/12/20/76/458122076.db2.gz PICOMXVKSVXYCR-YJYMSZOUSA-N 2 1 346.906 3.371 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000435371969 458122081 /nfs/dbraw/zinc/12/20/81/458122081.db2.gz PICOMXVKSVXYCR-YJYMSZOUSA-N 2 1 346.906 3.371 20 0 EGADMP CC[N@H+](Cc1c(C(C)C)nc2sc(C)nn12)[C@@H]1CCC[NH2+]CC1 ZINC000435370555 458122304 /nfs/dbraw/zinc/12/23/04/458122304.db2.gz JITCQTCNXSJVGS-CQSZACIVSA-N 2 1 335.521 3.187 20 0 EGADMP CC[N@@H+](Cc1c(C(C)C)nc2sc(C)nn12)[C@@H]1CCC[NH2+]CC1 ZINC000435370555 458122312 /nfs/dbraw/zinc/12/23/12/458122312.db2.gz JITCQTCNXSJVGS-CQSZACIVSA-N 2 1 335.521 3.187 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000435376147 458126949 /nfs/dbraw/zinc/12/69/49/458126949.db2.gz PUCWJYDVXQDJCX-CJNGLKHVSA-N 2 1 346.906 3.371 20 0 EGADMP COc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1OCc1ccccc1 ZINC000435376280 458126974 /nfs/dbraw/zinc/12/69/74/458126974.db2.gz QGNPEBSNBPIJLR-UHFFFAOYSA-N 2 1 340.467 3.458 20 0 EGADMP COc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1OCc1ccccc1 ZINC000435376280 458126980 /nfs/dbraw/zinc/12/69/80/458126980.db2.gz QGNPEBSNBPIJLR-UHFFFAOYSA-N 2 1 340.467 3.458 20 0 EGADMP CC[N@@H+](Cc1cc2c(cc1SC)OCCO2)[C@H]1CCC[NH2+]CC1 ZINC000435380937 458128669 /nfs/dbraw/zinc/12/86/69/458128669.db2.gz QQQYDWDJFDFKNZ-HNNXBMFYSA-N 2 1 336.501 3.144 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000435379062 458128894 /nfs/dbraw/zinc/12/88/94/458128894.db2.gz ARKSIQGJGSZHQZ-KYNGSXCRSA-N 2 1 344.890 3.312 20 0 EGADMP c1ccc(OCCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435620066 458175225 /nfs/dbraw/zinc/17/52/25/458175225.db2.gz YZUBCJVPGCKKBN-HXUWFJFHSA-N 2 1 339.483 3.495 20 0 EGADMP c1ccc(OCCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435620066 458175229 /nfs/dbraw/zinc/17/52/29/458175229.db2.gz YZUBCJVPGCKKBN-HXUWFJFHSA-N 2 1 339.483 3.495 20 0 EGADMP CCc1nc(C)c(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000428962959 458242153 /nfs/dbraw/zinc/24/21/53/458242153.db2.gz CYGFRDXAAZNKAO-HDICACEKSA-N 2 1 325.456 3.109 20 0 EGADMP CCCc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000376326484 458268198 /nfs/dbraw/zinc/26/81/98/458268198.db2.gz ZLWIQVQETKWNOJ-RXVVDRJESA-N 2 1 329.532 3.097 20 0 EGADMP Cn1ccnc1[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000376426756 458297475 /nfs/dbraw/zinc/29/74/75/458297475.db2.gz LULJQTXBGWLNOG-AWEZNQCLSA-N 2 1 346.862 3.282 20 0 EGADMP Oc1cccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1Br ZINC000459355442 458341060 /nfs/dbraw/zinc/34/10/60/458341060.db2.gz MZLCHOBFTXKQCD-CQSZACIVSA-N 2 1 349.228 3.203 20 0 EGADMP C[C@H]1CN(c2ccccc2C[N@H+](C)CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000459376823 458349584 /nfs/dbraw/zinc/34/95/84/458349584.db2.gz NUSJLVHMIUPLPD-AZUAARDMSA-N 2 1 345.531 3.218 20 0 EGADMP C[C@H]1CN(c2ccccc2C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000459376823 458349586 /nfs/dbraw/zinc/34/95/86/458349586.db2.gz NUSJLVHMIUPLPD-AZUAARDMSA-N 2 1 345.531 3.218 20 0 EGADMP C[C@H]1CN(c2ccccc2C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000459376823 458349589 /nfs/dbraw/zinc/34/95/89/458349589.db2.gz NUSJLVHMIUPLPD-AZUAARDMSA-N 2 1 345.531 3.218 20 0 EGADMP C[C@H]1CN(c2ccccc2C[NH+](C)CC[C@H]2CCCC[N@H+]2C)CCO1 ZINC000459376823 458349590 /nfs/dbraw/zinc/34/95/90/458349590.db2.gz NUSJLVHMIUPLPD-AZUAARDMSA-N 2 1 345.531 3.218 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000373027704 458379637 /nfs/dbraw/zinc/37/96/37/458379637.db2.gz WBJIRWTWFXENKV-HRCADAONSA-N 2 1 346.471 3.359 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000373027704 458379640 /nfs/dbraw/zinc/37/96/40/458379640.db2.gz WBJIRWTWFXENKV-HRCADAONSA-N 2 1 346.471 3.359 20 0 EGADMP CN(CCCn1ccnc1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000376858777 458408814 /nfs/dbraw/zinc/40/88/14/458408814.db2.gz WNHSKTCOMQOGCQ-SFHVURJKSA-N 2 1 341.846 3.438 20 0 EGADMP COC(=O)[C@@H](NCCCCn1cc[nH+]c1C)c1cc(C)cc(C)c1 ZINC000459614718 458428247 /nfs/dbraw/zinc/42/82/47/458428247.db2.gz WODMCFDQZHJVNR-SFHVURJKSA-N 2 1 329.444 3.092 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3)[C@H](C)C1 ZINC000423435927 458432797 /nfs/dbraw/zinc/43/27/97/458432797.db2.gz DYCZMMMFWQUPBD-YLJYHZDGSA-N 2 1 345.531 3.271 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(OC(F)(F)F)cc1 ZINC000423492706 458442238 /nfs/dbraw/zinc/44/22/38/458442238.db2.gz OIHCCFRWXCVCEK-LSDHHAIUSA-N 2 1 332.366 3.004 20 0 EGADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423516005 458448583 /nfs/dbraw/zinc/44/85/83/458448583.db2.gz NHZHLPPRLIKDNO-CZUORRHYSA-N 2 1 331.485 3.148 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423531931 458453254 /nfs/dbraw/zinc/45/32/54/458453254.db2.gz QPBKXWCFOFXUPA-KDXIVRHGSA-N 2 1 335.495 3.167 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459727984 458459863 /nfs/dbraw/zinc/45/98/63/458459863.db2.gz CIHAXRDVMRGMEW-AWEZNQCLSA-N 2 1 332.517 3.403 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000430548682 458459902 /nfs/dbraw/zinc/45/99/02/458459902.db2.gz HDSFKXIMEZZDMQ-RDJZCZTQSA-N 2 1 349.494 3.012 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000430548682 458459904 /nfs/dbraw/zinc/45/99/04/458459904.db2.gz HDSFKXIMEZZDMQ-RDJZCZTQSA-N 2 1 349.494 3.012 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000430548269 458459992 /nfs/dbraw/zinc/45/99/92/458459992.db2.gz BUBBVKQACYNLPY-WMZOPIPTSA-N 2 1 325.456 3.220 20 0 EGADMP Cc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000459729682 458460871 /nfs/dbraw/zinc/46/08/71/458460871.db2.gz DIAKDHONJOKMFU-QGZVFWFLSA-N 2 1 326.488 3.217 20 0 EGADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)[C@H]1C[NH3+] ZINC000430555541 458460882 /nfs/dbraw/zinc/46/08/82/458460882.db2.gz SIRHYXDHHLVRGQ-BEFAXECRSA-N 2 1 325.456 3.228 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc3ccccc32)[C@H]1C[NH3+] ZINC000430555541 458460884 /nfs/dbraw/zinc/46/08/84/458460884.db2.gz SIRHYXDHHLVRGQ-BEFAXECRSA-N 2 1 325.456 3.228 20 0 EGADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459780938 458477974 /nfs/dbraw/zinc/47/79/74/458477974.db2.gz LZZFAESXHBPNRH-IAGOWNOFSA-N 2 1 331.504 3.288 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)c1OC ZINC000459792559 458479840 /nfs/dbraw/zinc/47/98/40/458479840.db2.gz SKKZQXIHPBINOE-NVXWUHKLSA-N 2 1 334.504 3.265 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437859100 458503377 /nfs/dbraw/zinc/50/33/77/458503377.db2.gz NCYGDRKYTXRWMO-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP Fc1cc(Br)ccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430936185 458507267 /nfs/dbraw/zinc/50/72/67/458507267.db2.gz SVOWVICSISWPNW-UHFFFAOYSA-N 2 1 327.241 3.164 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000431052563 458522160 /nfs/dbraw/zinc/52/21/60/458522160.db2.gz YAMUWRIFFNZSFP-VQTJNVASSA-N 2 1 345.531 3.441 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000431063232 458523828 /nfs/dbraw/zinc/52/38/28/458523828.db2.gz YVILCOKMNVYUQP-GSEOLPGOSA-N 2 1 343.515 3.236 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccc(Br)c2)[C@H](C)C1 ZINC000468548162 458526886 /nfs/dbraw/zinc/52/68/86/458526886.db2.gz NRGYFANFRSZEDO-CJNGLKHVSA-N 2 1 325.294 3.312 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1)C(C)C ZINC000424063933 458548921 /nfs/dbraw/zinc/54/89/21/458548921.db2.gz DJJKRUDVYVXVQH-QKLQHJQFSA-N 2 1 345.531 3.362 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1)C(C)C ZINC000424063938 458549160 /nfs/dbraw/zinc/54/91/60/458549160.db2.gz DJJKRUDVYVXVQH-UWVAXJGDSA-N 2 1 345.531 3.362 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000424080424 458553165 /nfs/dbraw/zinc/55/31/65/458553165.db2.gz VOPMIVPWCWDUGP-UWVAXJGDSA-N 2 1 345.531 3.364 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424129084 458564999 /nfs/dbraw/zinc/56/49/99/458564999.db2.gz GABBCAVLLXSJLL-QAPCUYQASA-N 2 1 334.508 3.022 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1cccs1 ZINC000431569836 458590170 /nfs/dbraw/zinc/59/01/70/458590170.db2.gz HRBVIDLABQTWTE-IRXDYDNUSA-N 2 1 349.544 3.264 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(Br)s1)CC[NH2+]CC2 ZINC000424301998 458609695 /nfs/dbraw/zinc/60/96/95/458609695.db2.gz YQQINUZLGBVGTA-LLVKDONJSA-N 2 1 329.307 3.475 20 0 EGADMP Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424306929 458610631 /nfs/dbraw/zinc/61/06/31/458610631.db2.gz WKQZMAFMQMPEAQ-WMZOPIPTSA-N 2 1 330.451 3.055 20 0 EGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CCN(c4ccc(C)c[nH+]4)CC3)C[C@H]2C1 ZINC000424328470 458617898 /nfs/dbraw/zinc/61/78/98/458617898.db2.gz ZTJCZERNNYITAO-AYMGRPCJSA-N 2 1 329.488 3.152 20 0 EGADMP C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)Cc1ccccc1 ZINC000431753372 458617985 /nfs/dbraw/zinc/61/79/85/458617985.db2.gz KCINMKGPKGYFKG-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)Cc1ccccc1 ZINC000431753372 458617992 /nfs/dbraw/zinc/61/79/92/458617992.db2.gz KCINMKGPKGYFKG-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)Cc1ccccc1 ZINC000431753372 458617996 /nfs/dbraw/zinc/61/79/96/458617996.db2.gz KCINMKGPKGYFKG-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP CCCc1csc(CN[C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)n1 ZINC000494045684 458619154 /nfs/dbraw/zinc/61/91/54/458619154.db2.gz BULODYJPKQHJOF-DOTOQJQBSA-N 2 1 339.549 3.322 20 0 EGADMP CCOCc1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1OC ZINC000424368992 458626898 /nfs/dbraw/zinc/62/68/98/458626898.db2.gz BBPMNPNKUGZLJM-INIZCTEOSA-N 2 1 332.488 3.196 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1c(C3CC3)nc3sccn13)CC[NH2+]CC2 ZINC000424373441 458627366 /nfs/dbraw/zinc/62/73/66/458627366.db2.gz GVUIZEHIJYIOKT-ZDUSSCGKSA-N 2 1 330.501 3.237 20 0 EGADMP CCCOc1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1OC ZINC000424376283 458629328 /nfs/dbraw/zinc/62/93/28/458629328.db2.gz KVYHPZBNWKFCBC-INIZCTEOSA-N 2 1 332.488 3.448 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH+]3C3CC3)cc2)C1 ZINC000494349264 458662303 /nfs/dbraw/zinc/66/23/03/458662303.db2.gz LFUBOAKKXGSDAN-OXQOHEQNSA-N 2 1 341.499 3.484 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)cc2)C1 ZINC000494349264 458662309 /nfs/dbraw/zinc/66/23/09/458662309.db2.gz LFUBOAKKXGSDAN-OXQOHEQNSA-N 2 1 341.499 3.484 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)cc2)C1 ZINC000494349264 458662315 /nfs/dbraw/zinc/66/23/15/458662315.db2.gz LFUBOAKKXGSDAN-OXQOHEQNSA-N 2 1 341.499 3.484 20 0 EGADMP CCOC(=O)CCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000471014041 458674242 /nfs/dbraw/zinc/67/42/42/458674242.db2.gz ZEARWWXBUALSOJ-BGYRXZFFSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)CCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471014041 458674250 /nfs/dbraw/zinc/67/42/50/458674250.db2.gz ZEARWWXBUALSOJ-BGYRXZFFSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)CCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471014041 458674255 /nfs/dbraw/zinc/67/42/55/458674255.db2.gz ZEARWWXBUALSOJ-BGYRXZFFSA-N 2 1 344.499 3.174 20 0 EGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccccc2F)s1 ZINC000547280312 458714200 /nfs/dbraw/zinc/71/42/00/458714200.db2.gz WYLOYRLRTCGYSL-FZKQIMNGSA-N 2 1 334.460 3.271 20 0 EGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccccc2F)s1 ZINC000547280312 458714206 /nfs/dbraw/zinc/71/42/06/458714206.db2.gz WYLOYRLRTCGYSL-FZKQIMNGSA-N 2 1 334.460 3.271 20 0 EGADMP CCN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000494635240 458715195 /nfs/dbraw/zinc/71/51/95/458715195.db2.gz FVFQCNZTWYIZNF-YSIASYRMSA-N 2 1 343.515 3.203 20 0 EGADMP COc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c2ccccc12 ZINC000432358687 458723686 /nfs/dbraw/zinc/72/36/86/458723686.db2.gz NFDXHBWDAVTJGT-KRWDZBQOSA-N 2 1 342.483 3.439 20 0 EGADMP Cc1cccc(C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C2CC2)c1 ZINC000432418098 458735819 /nfs/dbraw/zinc/73/58/19/458735819.db2.gz PXZISPZPIWWSJU-NQIIRXRSSA-N 2 1 330.516 3.407 20 0 EGADMP Cc1cccc(C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C2CC2)c1 ZINC000432418098 458735823 /nfs/dbraw/zinc/73/58/23/458735823.db2.gz PXZISPZPIWWSJU-NQIIRXRSSA-N 2 1 330.516 3.407 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000547733604 458782100 /nfs/dbraw/zinc/78/21/00/458782100.db2.gz WHPXJYOYFQBBMS-GOSISDBHSA-N 2 1 337.552 3.412 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000547733604 458782109 /nfs/dbraw/zinc/78/21/09/458782109.db2.gz WHPXJYOYFQBBMS-GOSISDBHSA-N 2 1 337.552 3.412 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547733604 458782116 /nfs/dbraw/zinc/78/21/16/458782116.db2.gz WHPXJYOYFQBBMS-GOSISDBHSA-N 2 1 337.552 3.412 20 0 EGADMP Cc1cc(NCCC[N@H+]2CCCO[C@@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000432878329 458805481 /nfs/dbraw/zinc/80/54/81/458805481.db2.gz IADUPXXSAXUXIE-HNNXBMFYSA-N 2 1 331.435 3.017 20 0 EGADMP Cc1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)ccc1F ZINC000518249432 458851842 /nfs/dbraw/zinc/85/18/42/458851842.db2.gz IJLRWMBJQYDQOH-SFHVURJKSA-N 2 1 347.503 3.274 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1(C)C ZINC000441328010 458919254 /nfs/dbraw/zinc/91/92/54/458919254.db2.gz APGMLISPVFQKBF-UHFFFAOYSA-N 2 1 348.293 3.248 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]Cc2csc(Cl)c2Cl)CC1(C)C ZINC000441355379 458926080 /nfs/dbraw/zinc/92/60/80/458926080.db2.gz JNVCBORPYNCWMT-UHFFFAOYSA-N 2 1 336.332 3.171 20 0 EGADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000566437341 458933423 /nfs/dbraw/zinc/93/34/23/458933423.db2.gz ZNJKKWRUSKLSTC-UHFFFAOYSA-N 2 1 345.531 3.127 20 0 EGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000556209244 458937450 /nfs/dbraw/zinc/93/74/50/458937450.db2.gz YDJCICHNXZSPNI-CMKODMSKSA-N 2 1 345.531 3.039 20 0 EGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000556209244 458937456 /nfs/dbraw/zinc/93/74/56/458937456.db2.gz YDJCICHNXZSPNI-CMKODMSKSA-N 2 1 345.531 3.039 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(CC)CCCC3)CC2)CC1 ZINC000566469069 458943339 /nfs/dbraw/zinc/94/33/39/458943339.db2.gz SVALVVDYNFBLAJ-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000531614041 458945026 /nfs/dbraw/zinc/94/50/26/458945026.db2.gz ZPDXJHCMZLNTFR-QGZVFWFLSA-N 2 1 341.503 3.381 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000531614041 458945033 /nfs/dbraw/zinc/94/50/33/458945033.db2.gz ZPDXJHCMZLNTFR-QGZVFWFLSA-N 2 1 341.503 3.381 20 0 EGADMP Cc1nc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[nH]c1C ZINC000566496587 458947780 /nfs/dbraw/zinc/94/77/80/458947780.db2.gz JPXHJYFOVRMZJH-DNVCBOLYSA-N 2 1 326.488 3.417 20 0 EGADMP Cc1ccc(OC[C@@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c(C)c1 ZINC000519698469 458989683 /nfs/dbraw/zinc/98/96/83/458989683.db2.gz YWLKUOIIIMXRGX-UXHICEINSA-N 2 1 348.531 3.287 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000577183183 458993012 /nfs/dbraw/zinc/99/30/12/458993012.db2.gz USYRAZRBWRCMPS-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000531940977 459003202 /nfs/dbraw/zinc/00/32/02/459003202.db2.gz KRIYQYTYQOKOMM-LJQANCHMSA-N 2 1 335.923 3.335 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CCOCC4CCC4)[C@@H]3C2)cc1 ZINC000577434107 459032077 /nfs/dbraw/zinc/03/20/77/459032077.db2.gz GUFUKRNZCJQSQS-PWRODBHTSA-N 2 1 328.500 3.303 20 0 EGADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000442810582 459040697 /nfs/dbraw/zinc/04/06/97/459040697.db2.gz MRIGONYSZPOZEI-XKRYSZRTSA-N 2 1 328.500 3.444 20 0 EGADMP Cc1ccc([C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C2CCCC2)o1 ZINC000442871103 459048419 /nfs/dbraw/zinc/04/84/19/459048419.db2.gz HBAXZWSWSZTEQK-LJQANCHMSA-N 2 1 333.520 3.435 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3C[C@H](C)C[C@@H](C)C3)CC2)CC1 ZINC000567121464 459051201 /nfs/dbraw/zinc/05/12/01/459051201.db2.gz HKISCJCFABHUNZ-IAGOWNOFSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1CC[N@H+](CCNC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000532239371 459052423 /nfs/dbraw/zinc/05/24/23/459052423.db2.gz GEDTZDSTFYDVNQ-INIZCTEOSA-N 2 1 335.923 3.236 20 0 EGADMP C[C@H]1CC[N@@H+](CCNC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000532239371 459052432 /nfs/dbraw/zinc/05/24/32/459052432.db2.gz GEDTZDSTFYDVNQ-INIZCTEOSA-N 2 1 335.923 3.236 20 0 EGADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442890316 459055613 /nfs/dbraw/zinc/05/56/13/459055613.db2.gz OMFIZUXASOVQJO-BEFAXECRSA-N 2 1 333.495 3.065 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000442928483 459061730 /nfs/dbraw/zinc/06/17/30/459061730.db2.gz PLPKBUBMXUXZRO-QGZVFWFLSA-N 2 1 325.456 3.221 20 0 EGADMP CCN(CC)C(=O)[C@H](C)[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000557316711 459063939 /nfs/dbraw/zinc/06/39/39/459063939.db2.gz HCPGPDZOQAVYAB-SFHVURJKSA-N 2 1 339.568 3.323 20 0 EGADMP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C(C)(C)O ZINC000477868762 459064070 /nfs/dbraw/zinc/06/40/70/459064070.db2.gz VZHDVPNAUKKNLP-WCIQWLHISA-N 2 1 330.516 3.282 20 0 EGADMP Cc1cc(-c2noc([C@@H](C)[N@H+]3CCC[C@@H](CC[NH3+])C3)n2)ccc1F ZINC000443076522 459085553 /nfs/dbraw/zinc/08/55/53/459085553.db2.gz SPLKLDCMGOVVMD-KGLIPLIRSA-N 2 1 332.423 3.306 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000496172505 459097131 /nfs/dbraw/zinc/09/71/31/459097131.db2.gz SBRDPTRUIIDMON-VXLLPVPCSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000496172505 459097134 /nfs/dbraw/zinc/09/71/34/459097134.db2.gz SBRDPTRUIIDMON-VXLLPVPCSA-N 2 1 339.524 3.142 20 0 EGADMP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000532507273 459101679 /nfs/dbraw/zinc/10/16/79/459101679.db2.gz KOSRFDUXQNSQMV-QUCCMNQESA-N 2 1 348.531 3.465 20 0 EGADMP C[C@H](Nc1cc[nH+]cc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000521130904 459120954 /nfs/dbraw/zinc/12/09/54/459120954.db2.gz WGQBRXCRMCZNSY-BLLLJJGKSA-N 2 1 334.261 3.369 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)cc1 ZINC000594649637 459121782 /nfs/dbraw/zinc/12/17/82/459121782.db2.gz ZJCBFOCUYNUKHV-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000594649637 459121786 /nfs/dbraw/zinc/12/17/86/459121786.db2.gz ZJCBFOCUYNUKHV-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000594649637 459121792 /nfs/dbraw/zinc/12/17/92/459121792.db2.gz ZJCBFOCUYNUKHV-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000577948028 459122248 /nfs/dbraw/zinc/12/22/48/459122248.db2.gz LKTCUEORHWJRKC-WIYYLYMNSA-N 2 1 326.484 3.065 20 0 EGADMP COc1ccccc1[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000577963867 459124191 /nfs/dbraw/zinc/12/41/91/459124191.db2.gz QWCBRBRDTBQRIS-LMMKCTJWSA-N 2 1 331.504 3.082 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccccc2F)[C@H](C)C1 ZINC000479518295 459144716 /nfs/dbraw/zinc/14/47/16/459144716.db2.gz QJVMAFMZBZOYKQ-XLIONFOSSA-N 2 1 336.495 3.485 20 0 EGADMP CC[C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000578521083 459214933 /nfs/dbraw/zinc/21/49/33/459214933.db2.gz LRMLKLIYRMFJPM-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP O[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000559071197 459234795 /nfs/dbraw/zinc/23/47/95/459234795.db2.gz LSUZCQIEKSPFBO-TZIWHRDSSA-N 2 1 348.506 3.317 20 0 EGADMP CCCCN(CC)C(=O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481172967 459236591 /nfs/dbraw/zinc/23/65/91/459236591.db2.gz GPBJKMCJJOQJBU-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCCCN(CC)C(=O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000481172967 459236593 /nfs/dbraw/zinc/23/65/93/459236593.db2.gz GPBJKMCJJOQJBU-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCCCN(CC)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481172967 459236597 /nfs/dbraw/zinc/23/65/97/459236597.db2.gz GPBJKMCJJOQJBU-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCCCN(CC)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481172967 459236601 /nfs/dbraw/zinc/23/66/01/459236601.db2.gz GPBJKMCJJOQJBU-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000481709845 459270089 /nfs/dbraw/zinc/27/00/89/459270089.db2.gz ASHQYPAVRHKXLZ-CZUORRHYSA-N 2 1 325.294 3.496 20 0 EGADMP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000522546419 459248662 /nfs/dbraw/zinc/24/86/62/459248662.db2.gz LONFGCKBZHLXCN-MJGOQNOKSA-N 2 1 347.547 3.298 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1(C)C ZINC000559841497 459280489 /nfs/dbraw/zinc/28/04/89/459280489.db2.gz BJGQNMFARCZHEL-LJQANCHMSA-N 2 1 349.950 3.277 20 0 EGADMP Cc1cc2[nH]c(C[N@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cc2c(C)c1 ZINC000481985589 459284679 /nfs/dbraw/zinc/28/46/79/459284679.db2.gz PXFQOMDLKAMQAN-KRWDZBQOSA-N 2 1 343.515 3.309 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1 ZINC000482151076 459293122 /nfs/dbraw/zinc/29/31/22/459293122.db2.gz YZUFFOQYFVCOCV-QFBILLFUSA-N 2 1 347.503 3.124 20 0 EGADMP Cc1ccc(C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c2ccc(C)cc2)cc1 ZINC000482627523 459317373 /nfs/dbraw/zinc/31/73/73/459317373.db2.gz HTNHAZVDMGQBHK-SFTDATJTSA-N 2 1 326.484 3.099 20 0 EGADMP CC(C)c1[nH+]c(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c2ccccn21 ZINC000568634236 459320209 /nfs/dbraw/zinc/32/02/09/459320209.db2.gz HCMCGYSUCYZBFK-AEFFLSMTSA-N 2 1 326.488 3.374 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000496790172 459324748 /nfs/dbraw/zinc/32/47/48/459324748.db2.gz JHERAZXQRMFRBK-ZACQAIPSSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000496790172 459324750 /nfs/dbraw/zinc/32/47/50/459324750.db2.gz JHERAZXQRMFRBK-ZACQAIPSSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000496790172 459324752 /nfs/dbraw/zinc/32/47/52/459324752.db2.gz JHERAZXQRMFRBK-ZACQAIPSSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000496790172 459324753 /nfs/dbraw/zinc/32/47/53/459324753.db2.gz JHERAZXQRMFRBK-ZACQAIPSSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1cccc(Br)c1 ZINC000483817475 459394845 /nfs/dbraw/zinc/39/48/45/459394845.db2.gz KLESMMOBDARPGW-UMVBOHGHSA-N 2 1 341.293 3.289 20 0 EGADMP CCS[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000591749658 459428699 /nfs/dbraw/zinc/42/86/99/459428699.db2.gz ILFYBWZCFVMKFW-CEXWTWQISA-N 2 1 336.545 3.133 20 0 EGADMP CCS[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000591749658 459428705 /nfs/dbraw/zinc/42/87/05/459428705.db2.gz ILFYBWZCFVMKFW-CEXWTWQISA-N 2 1 336.545 3.133 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cncc(Br)c2)CC1 ZINC000582796887 459430540 /nfs/dbraw/zinc/43/05/40/459430540.db2.gz JVELALSHHZLVQT-LBPRGKRZSA-N 2 1 326.282 3.369 20 0 EGADMP O=C(Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1)C1CCCC1 ZINC000582898955 459448361 /nfs/dbraw/zinc/44/83/61/459448361.db2.gz FKGBGEJDRWMIQC-DFNIBXOVSA-N 2 1 327.472 3.188 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000569567906 459472845 /nfs/dbraw/zinc/47/28/45/459472845.db2.gz QFSODOJJMPQZLK-UHFFFAOYSA-N 2 1 332.492 3.038 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000583251059 459509568 /nfs/dbraw/zinc/50/95/68/459509568.db2.gz MEJFZXIAXLHUON-QGZVFWFLSA-N 2 1 344.503 3.325 20 0 EGADMP CCc1ccc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000569826563 459517706 /nfs/dbraw/zinc/51/77/06/459517706.db2.gz BFGDELUUOFTNFI-SFHVURJKSA-N 2 1 340.471 3.263 20 0 EGADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000596095271 459518657 /nfs/dbraw/zinc/51/86/57/459518657.db2.gz ONTKXULLAGPQEN-UKRRQHHQSA-N 2 1 336.501 3.307 20 0 EGADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000596095271 459518661 /nfs/dbraw/zinc/51/86/61/459518661.db2.gz ONTKXULLAGPQEN-UKRRQHHQSA-N 2 1 336.501 3.307 20 0 EGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@H]3C[C@H]3C)CC2)c1C ZINC000583408528 459533870 /nfs/dbraw/zinc/53/38/70/459533870.db2.gz BBPABBSDRMLKIC-RHSMWYFYSA-N 2 1 331.504 3.259 20 0 EGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@H]3C[C@H]3C)CC2)c1C ZINC000583408528 459533876 /nfs/dbraw/zinc/53/38/76/459533876.db2.gz BBPABBSDRMLKIC-RHSMWYFYSA-N 2 1 331.504 3.259 20 0 EGADMP CCc1ccccc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000526083373 459544892 /nfs/dbraw/zinc/54/48/92/459544892.db2.gz NXUPLNRRMRNDIB-KDURUIRLSA-N 2 1 329.532 3.239 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C/C=C/c3ccc(F)cc3F)C2)CC1 ZINC000542703156 459583183 /nfs/dbraw/zinc/58/31/83/459583183.db2.gz HYDJYGPBORNOHA-GNAXCBTBSA-N 2 1 349.469 3.078 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C/C=C/c3ccc(F)cc3F)C2)CC1 ZINC000542703156 459583187 /nfs/dbraw/zinc/58/31/87/459583187.db2.gz HYDJYGPBORNOHA-GNAXCBTBSA-N 2 1 349.469 3.078 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000572921077 459594113 /nfs/dbraw/zinc/59/41/13/459594113.db2.gz ZCOJDTVYJLDCHP-KEGWNNHHSA-N 2 1 338.442 3.411 20 0 EGADMP COC(=O)C(C)(C)CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000527219111 459609252 /nfs/dbraw/zinc/60/92/52/459609252.db2.gz CJKVYLZVZLUIJV-SFHVURJKSA-N 2 1 332.488 3.030 20 0 EGADMP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(C)c1 ZINC000583929795 459620295 /nfs/dbraw/zinc/62/02/95/459620295.db2.gz DDIAKRCNQMHNKO-UXHICEINSA-N 2 1 348.531 3.001 20 0 EGADMP O[C@@]1(C[NH2+]C2CC(c3ccccc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000543067405 459620900 /nfs/dbraw/zinc/62/09/00/459620900.db2.gz RRULGNZKVYPUIB-LZBANZJXSA-N 2 1 336.479 3.159 20 0 EGADMP O[C@@]1(C[NH2+]C2CC(c3ccccc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000543067405 459620907 /nfs/dbraw/zinc/62/09/07/459620907.db2.gz RRULGNZKVYPUIB-LZBANZJXSA-N 2 1 336.479 3.159 20 0 EGADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000573452820 459681237 /nfs/dbraw/zinc/68/12/37/459681237.db2.gz HIZOSOUZKPJVRK-VSKRKVRLSA-N 2 1 338.495 3.324 20 0 EGADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000573452820 459681240 /nfs/dbraw/zinc/68/12/40/459681240.db2.gz HIZOSOUZKPJVRK-VSKRKVRLSA-N 2 1 338.495 3.324 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000543773878 459698278 /nfs/dbraw/zinc/69/82/78/459698278.db2.gz OLEUBJLZFVWEEF-QFBILLFUSA-N 2 1 340.458 3.344 20 0 EGADMP Cc1ncc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)n1C ZINC000573698611 459721348 /nfs/dbraw/zinc/72/13/48/459721348.db2.gz CPOOXSDPCXRZOA-INIZCTEOSA-N 2 1 326.488 3.250 20 0 EGADMP c1ccc(C[NH+]2CCC(NC[C@H]3CC[N@H+]3C3CCCC3)CC2)cc1 ZINC000527810072 459745731 /nfs/dbraw/zinc/74/57/31/459745731.db2.gz UJWRIWDIYVTLBS-OAQYLSRUSA-N 2 1 327.516 3.258 20 0 EGADMP CC(C)C(C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C(C)C ZINC000563290360 459758444 /nfs/dbraw/zinc/75/84/44/459758444.db2.gz XTXZJNFKUOBIGP-UHFFFAOYSA-N 2 1 345.531 3.092 20 0 EGADMP CC(C)(C[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1)C(N)=O ZINC000574069983 459775637 /nfs/dbraw/zinc/77/56/37/459775637.db2.gz QPLGITQHKIITJW-WDSOQIARSA-N 2 1 343.515 3.093 20 0 EGADMP CC(C)(C[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1)C(N)=O ZINC000574069983 459775639 /nfs/dbraw/zinc/77/56/39/459775639.db2.gz QPLGITQHKIITJW-WDSOQIARSA-N 2 1 343.515 3.093 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)CC[N@@H+]1C ZINC000527939398 459777693 /nfs/dbraw/zinc/77/76/93/459777693.db2.gz NTUZEFOQOLMIEK-QAPCUYQASA-N 2 1 346.519 3.464 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)CC[N@H+]1C ZINC000527939398 459777702 /nfs/dbraw/zinc/77/77/02/459777702.db2.gz NTUZEFOQOLMIEK-QAPCUYQASA-N 2 1 346.519 3.464 20 0 EGADMP C[C@H]1C[C@@H]([N@@H+](C)CCCc2cncn2C)CCN1Cc1ccccc1 ZINC000574168821 459787811 /nfs/dbraw/zinc/78/78/11/459787811.db2.gz JQSPARONYCKYIM-ICSRJNTNSA-N 3 1 340.515 3.338 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000566213109 459823249 /nfs/dbraw/zinc/82/32/49/459823249.db2.gz YGVVHLMZZWMBQZ-MJGOQNOKSA-N 2 1 331.504 3.166 20 0 EGADMP CC(C)c1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)s1 ZINC000545481308 459834369 /nfs/dbraw/zinc/83/43/69/459834369.db2.gz FOWOSEWADVUPJH-UHFFFAOYSA-N 2 1 344.484 3.271 20 0 EGADMP OCCCSCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602539601 459988960 /nfs/dbraw/zinc/98/89/60/459988960.db2.gz RSNZDXCVXFFOCB-PKOBYXMFSA-N 2 1 334.529 3.060 20 0 EGADMP OCCCSCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602539601 459988969 /nfs/dbraw/zinc/98/89/69/459988969.db2.gz RSNZDXCVXFFOCB-PKOBYXMFSA-N 2 1 334.529 3.060 20 0 EGADMP COC(=O)c1csc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000602564753 460000059 /nfs/dbraw/zinc/00/00/59/460000059.db2.gz OGZRLBRMYFIQCQ-UHFFFAOYSA-N 2 1 336.501 3.421 20 0 EGADMP CCCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H](C)c1ccc(C)o1 ZINC000621739101 460044133 /nfs/dbraw/zinc/04/41/33/460044133.db2.gz IIPZHTRHPIFEQR-QGZVFWFLSA-N 2 1 349.519 3.352 20 0 EGADMP CCCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H](C)c1ccc(C)o1 ZINC000621739101 460044139 /nfs/dbraw/zinc/04/41/39/460044139.db2.gz IIPZHTRHPIFEQR-QGZVFWFLSA-N 2 1 349.519 3.352 20 0 EGADMP COC(=O)C1(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000589173106 460045889 /nfs/dbraw/zinc/04/58/89/460045889.db2.gz DEDOXROTTLXSSW-MJGOQNOKSA-N 2 1 344.499 3.220 20 0 EGADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000618665359 460118211 /nfs/dbraw/zinc/11/82/11/460118211.db2.gz ZVRIWWSEBWKPLB-MSOLQXFVSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618665359 460118216 /nfs/dbraw/zinc/11/82/16/460118216.db2.gz ZVRIWWSEBWKPLB-MSOLQXFVSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618665359 460118219 /nfs/dbraw/zinc/11/82/19/460118219.db2.gz ZVRIWWSEBWKPLB-MSOLQXFVSA-N 2 1 347.547 3.164 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1C ZINC000598988697 460118963 /nfs/dbraw/zinc/11/89/63/460118963.db2.gz QQROEKKYDHVCTI-QGZVFWFLSA-N 2 1 347.503 3.020 20 0 EGADMP CC[NH+](CC)CCCN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000576505076 460155148 /nfs/dbraw/zinc/15/51/48/460155148.db2.gz GEYYPVRUALUIKV-RTWAWAEBSA-N 2 1 329.532 3.172 20 0 EGADMP Cc1ccc(-c2noc([C@H](C)[NH2+]CCCc3c[nH+]cn3C)n2)cc1F ZINC000576645134 460185032 /nfs/dbraw/zinc/18/50/32/460185032.db2.gz UJIQIUDLUZWXII-ZDUSSCGKSA-N 2 1 343.406 3.201 20 0 EGADMP C[C@@H]1C[C@@H]1C[N@@H+](CCCC[NH+](C)[C@@H]1CCCOC1)[C@H]1CCCOC1 ZINC000625932515 460308149 /nfs/dbraw/zinc/30/81/49/460308149.db2.gz AMUWRAAKTLKYNQ-WTGUMLROSA-N 2 1 338.536 3.014 20 0 EGADMP C[C@@H]1C[C@@H]1C[NH+](CCCC[N@H+](C)[C@@H]1CCCOC1)[C@H]1CCCOC1 ZINC000625932515 460308150 /nfs/dbraw/zinc/30/81/50/460308150.db2.gz AMUWRAAKTLKYNQ-WTGUMLROSA-N 2 1 338.536 3.014 20 0 EGADMP C[C@@H]1C[C@@H]1C[NH+](CCCC[N@@H+](C)[C@@H]1CCCOC1)[C@H]1CCCOC1 ZINC000625932515 460308155 /nfs/dbraw/zinc/30/81/55/460308155.db2.gz AMUWRAAKTLKYNQ-WTGUMLROSA-N 2 1 338.536 3.014 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3C3CC3)C2)CC1 ZINC000611276215 460327341 /nfs/dbraw/zinc/32/73/41/460327341.db2.gz FHWSRAVDKPWTOW-HXUWFJFHSA-N 2 1 327.516 3.164 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000626063814 460359441 /nfs/dbraw/zinc/35/94/41/460359441.db2.gz RDLZANLIKYPTFO-SLFFLAALSA-N 2 1 343.515 3.017 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-c3c[nH]cn3)cc2)C[C@@H]1C ZINC000631442027 460380951 /nfs/dbraw/zinc/38/09/51/460380951.db2.gz UPMZECLTNLJYDB-WMLDXEAASA-N 2 1 326.444 3.022 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ncccc32)[C@@H](C)C1 ZINC000631580155 460455692 /nfs/dbraw/zinc/45/56/92/460455692.db2.gz DIGBCTWWXLPSRD-QRFRQXIXSA-N 2 1 331.504 3.186 20 0 EGADMP O[C@]1(C[NH2+]C[C@@H]2CCCC(F)(F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634713349 460490439 /nfs/dbraw/zinc/49/04/39/460490439.db2.gz UNPDRSRVJDZORO-MSOLQXFVSA-N 2 1 338.442 3.039 20 0 EGADMP O[C@]1(C[NH2+]C[C@@H]2CCCC(F)(F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634713349 460490443 /nfs/dbraw/zinc/49/04/43/460490443.db2.gz UNPDRSRVJDZORO-MSOLQXFVSA-N 2 1 338.442 3.039 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631664498 460497656 /nfs/dbraw/zinc/49/76/56/460497656.db2.gz NZDGXNAXYWQTNC-NSHGMRRFSA-N 2 1 326.488 3.019 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000631665014 460499486 /nfs/dbraw/zinc/49/94/86/460499486.db2.gz UOFUUBXVVYDSSU-GHTZIAJQSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000631665014 460499493 /nfs/dbraw/zinc/49/94/93/460499493.db2.gz UOFUUBXVVYDSSU-GHTZIAJQSA-N 3 1 341.543 3.219 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000631665014 460499500 /nfs/dbraw/zinc/49/95/00/460499500.db2.gz UOFUUBXVVYDSSU-GHTZIAJQSA-N 3 1 341.543 3.219 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000631668123 460500759 /nfs/dbraw/zinc/50/07/59/460500759.db2.gz VSQCDXCZFZPECP-MMKMLUHNSA-N 2 1 329.532 3.074 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000631668123 460500765 /nfs/dbraw/zinc/50/07/65/460500765.db2.gz VSQCDXCZFZPECP-MMKMLUHNSA-N 2 1 329.532 3.074 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000631668123 460500771 /nfs/dbraw/zinc/50/07/71/460500771.db2.gz VSQCDXCZFZPECP-MMKMLUHNSA-N 2 1 329.532 3.074 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000631668123 460500779 /nfs/dbraw/zinc/50/07/79/460500779.db2.gz VSQCDXCZFZPECP-MMKMLUHNSA-N 3 1 329.532 3.074 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000631668123 460500783 /nfs/dbraw/zinc/50/07/83/460500783.db2.gz VSQCDXCZFZPECP-MMKMLUHNSA-N 3 1 329.532 3.074 20 0 EGADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000631668123 460500789 /nfs/dbraw/zinc/50/07/89/460500789.db2.gz VSQCDXCZFZPECP-MMKMLUHNSA-N 3 1 329.532 3.074 20 0 EGADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000631668123 460500792 /nfs/dbraw/zinc/50/07/92/460500792.db2.gz VSQCDXCZFZPECP-MMKMLUHNSA-N 3 1 329.532 3.074 20 0 EGADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623861791 460749141 /nfs/dbraw/zinc/74/91/41/460749141.db2.gz COBRXBPWSPZMKA-GFCCVEGCSA-N 2 1 336.373 3.463 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623861791 460749145 /nfs/dbraw/zinc/74/91/45/460749145.db2.gz COBRXBPWSPZMKA-GFCCVEGCSA-N 2 1 336.373 3.463 20 0 EGADMP COc1ccncc1C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000629524081 460796631 /nfs/dbraw/zinc/79/66/31/460796631.db2.gz KWFVOEGXRDTVOH-SFHVURJKSA-N 2 1 343.496 3.296 20 0 EGADMP COc1ccncc1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000629524081 460796636 /nfs/dbraw/zinc/79/66/36/460796636.db2.gz KWFVOEGXRDTVOH-SFHVURJKSA-N 2 1 343.496 3.296 20 0 EGADMP FC(F)(F)c1ncccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000629531951 460798246 /nfs/dbraw/zinc/79/82/46/460798246.db2.gz FRZKBACFQHMKBI-ZIAGYGMSSA-N 2 1 327.394 3.312 20 0 EGADMP Fc1ccccc1-c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)co1 ZINC000629533183 460799979 /nfs/dbraw/zinc/79/99/79/460799979.db2.gz MFEQSRNQOURIIF-HUUCEWRRSA-N 2 1 329.419 3.302 20 0 EGADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560554 460808856 /nfs/dbraw/zinc/80/88/56/460808856.db2.gz DSKHYZZFPLCLDS-GJZGRUSLSA-N 2 1 330.394 3.141 20 0 EGADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560554 460808866 /nfs/dbraw/zinc/80/88/66/460808866.db2.gz DSKHYZZFPLCLDS-GJZGRUSLSA-N 2 1 330.394 3.141 20 0 EGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629654293 460848483 /nfs/dbraw/zinc/84/84/83/460848483.db2.gz HEXLPOJENJBZHK-GOEBONIOSA-N 2 1 330.394 3.435 20 0 EGADMP CCCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629654293 460848488 /nfs/dbraw/zinc/84/84/88/460848488.db2.gz HEXLPOJENJBZHK-GOEBONIOSA-N 2 1 330.394 3.435 20 0 EGADMP CCn1c2ccccc2c2cc(C[N@@H+](C)CCOCC[NH3+])ccc21 ZINC000629665959 460856308 /nfs/dbraw/zinc/85/63/08/460856308.db2.gz ZAECHBVXIRCDHN-UHFFFAOYSA-N 2 1 325.456 3.222 20 0 EGADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624290026 460945759 /nfs/dbraw/zinc/94/57/59/460945759.db2.gz UOQLMTMXUCKSBD-ZTFRIQLXSA-N 2 1 343.298 3.489 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624290026 460945765 /nfs/dbraw/zinc/94/57/65/460945765.db2.gz UOQLMTMXUCKSBD-ZTFRIQLXSA-N 2 1 343.298 3.489 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)[C@H](C)C1 ZINC000607957040 460947623 /nfs/dbraw/zinc/94/76/23/460947623.db2.gz TWAUDHQIYGASHZ-UTKZUKDTSA-N 2 1 339.483 3.481 20 0 EGADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000628186542 461037437 /nfs/dbraw/zinc/03/74/37/461037437.db2.gz NRAIXJWNNLKEKQ-SBHAEUEKSA-N 2 1 329.532 3.056 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000659018014 461140629 /nfs/dbraw/zinc/14/06/29/461140629.db2.gz BUFYFKMZVSYMBO-INIZCTEOSA-N 2 1 332.492 3.038 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cncc(OCc3ccccc3)c1)C2 ZINC000652352633 461148188 /nfs/dbraw/zinc/14/81/88/461148188.db2.gz GQRHITHPFKFBIN-FPOVZHCZSA-N 2 1 337.467 3.221 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cncc(OCc3ccccc3)c1)C2 ZINC000652352633 461148194 /nfs/dbraw/zinc/14/81/94/461148194.db2.gz GQRHITHPFKFBIN-FPOVZHCZSA-N 2 1 337.467 3.221 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(-c3ccccc3)on2)C1 ZINC000652363949 461157875 /nfs/dbraw/zinc/15/78/75/461157875.db2.gz SQIOCXLWYIZIHH-YVWKXTFCSA-N 2 1 341.455 3.202 20 0 EGADMP CC(C)c1nc([C@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)no1 ZINC000662277583 461163622 /nfs/dbraw/zinc/16/36/22/461163622.db2.gz RQRFIPYJUROMAP-KRWDZBQOSA-N 2 1 340.471 3.218 20 0 EGADMP CCc1cccc(C)c1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290045 461167441 /nfs/dbraw/zinc/16/74/41/461167441.db2.gz GIKBBDBODMYSAJ-LJQANCHMSA-N 2 1 343.515 3.208 20 0 EGADMP c1cc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)cs1 ZINC000662291032 461167889 /nfs/dbraw/zinc/16/78/89/461167889.db2.gz NIPWPSOGLBLMDK-AWEZNQCLSA-N 2 1 332.473 3.010 20 0 EGADMP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291921 461170544 /nfs/dbraw/zinc/17/05/44/461170544.db2.gz ZMQMMBYUQONPHL-GOEBONIOSA-N 2 1 340.471 3.108 20 0 EGADMP CN(CCc1ccccc1)[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000662307511 461180536 /nfs/dbraw/zinc/18/05/36/461180536.db2.gz WSGUGHBLJBWECR-OAQYLSRUSA-N 2 1 329.532 3.015 20 0 EGADMP C[N@H+](CCc1ccccc1)[C@@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000662307511 461180543 /nfs/dbraw/zinc/18/05/43/461180543.db2.gz WSGUGHBLJBWECR-OAQYLSRUSA-N 2 1 329.532 3.015 20 0 EGADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000662307511 461180549 /nfs/dbraw/zinc/18/05/49/461180549.db2.gz WSGUGHBLJBWECR-OAQYLSRUSA-N 2 1 329.532 3.015 20 0 EGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@H](C)c3cnc(C)nc3C)C2)c1 ZINC000638008075 461194793 /nfs/dbraw/zinc/19/47/93/461194793.db2.gz WLPRHWJBKKOQTK-NVXWUHKLSA-N 2 1 325.460 3.292 20 0 EGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@H](C)c3cnc(C)nc3C)C2)c1 ZINC000638008075 461194800 /nfs/dbraw/zinc/19/48/00/461194800.db2.gz WLPRHWJBKKOQTK-NVXWUHKLSA-N 2 1 325.460 3.292 20 0 EGADMP CO[C@@H](C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000638030281 461205862 /nfs/dbraw/zinc/20/58/62/461205862.db2.gz DZUMWGPCJKWHFA-NRFANRHFSA-N 2 1 346.515 3.024 20 0 EGADMP CO[C@@H](C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000638030281 461205871 /nfs/dbraw/zinc/20/58/71/461205871.db2.gz DZUMWGPCJKWHFA-NRFANRHFSA-N 2 1 346.515 3.024 20 0 EGADMP OCCCCOc1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000638104812 461240803 /nfs/dbraw/zinc/24/08/03/461240803.db2.gz NBUZGAKSSXGQDO-FQEVSTJZSA-N 2 1 346.515 3.288 20 0 EGADMP OCCCCOc1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000638104812 461240811 /nfs/dbraw/zinc/24/08/11/461240811.db2.gz NBUZGAKSSXGQDO-FQEVSTJZSA-N 2 1 346.515 3.288 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(C)(C)Oc1ccccc1 ZINC000638181034 461293622 /nfs/dbraw/zinc/29/36/22/461293622.db2.gz LOFMUYGHRKPQKR-NZSAHSFTSA-N 2 1 332.488 3.028 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638280405 461345459 /nfs/dbraw/zinc/34/54/59/461345459.db2.gz FJOPRXALYYLQKT-HMXCVIKNSA-N 2 1 327.516 3.428 20 0 EGADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638280405 461345474 /nfs/dbraw/zinc/34/54/74/461345474.db2.gz FJOPRXALYYLQKT-HMXCVIKNSA-N 2 1 327.516 3.428 20 0 EGADMP C[N@@H+]1CCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)c2ccccc2C1 ZINC000662720147 461355739 /nfs/dbraw/zinc/35/57/39/461355739.db2.gz UCNZTYKHLAPXHJ-SFHVURJKSA-N 2 1 349.478 3.157 20 0 EGADMP C[N@H+]1CCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)c2ccccc2C1 ZINC000662720147 461355752 /nfs/dbraw/zinc/35/57/52/461355752.db2.gz UCNZTYKHLAPXHJ-SFHVURJKSA-N 2 1 349.478 3.157 20 0 EGADMP CCn1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(-c2ccccc2)n1 ZINC000641761219 461356487 /nfs/dbraw/zinc/35/64/87/461356487.db2.gz PZMFRVPVYFFCPM-QGZVFWFLSA-N 2 1 326.488 3.392 20 0 EGADMP CC(C)(C)c1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655688856 461363157 /nfs/dbraw/zinc/36/31/57/461363157.db2.gz NBEKSXVVYZXKAG-HXUWFJFHSA-N 2 1 330.516 3.370 20 0 EGADMP FC(F)(F)c1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655690261 461363180 /nfs/dbraw/zinc/36/31/80/461363180.db2.gz KAAJXWBMROHWML-KRWDZBQOSA-N 2 1 342.405 3.091 20 0 EGADMP Cc1nnsc1C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000638326954 461368936 /nfs/dbraw/zinc/36/89/36/461368936.db2.gz APTJRQHMXWYKLV-UHFFFAOYSA-N 2 1 330.501 3.368 20 0 EGADMP Clc1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000655699734 461372016 /nfs/dbraw/zinc/37/20/16/461372016.db2.gz AGKWBMDFUIWNFB-CQSZACIVSA-N 2 1 328.909 3.177 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000641805874 461380390 /nfs/dbraw/zinc/38/03/90/461380390.db2.gz PDCJVOIXICVUMD-CKLFPEKLSA-N 2 1 330.259 3.036 20 0 EGADMP Cc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C)c1 ZINC000655710472 461380730 /nfs/dbraw/zinc/38/07/30/461380730.db2.gz BODQJCBRTJGCQF-WIYYLYMNSA-N 2 1 330.516 3.467 20 0 EGADMP FC(F)(F)C1CCC(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655718365 461386761 /nfs/dbraw/zinc/38/67/61/461386761.db2.gz MLZBURSQXWYZPH-ZBCRRDGASA-N 2 1 334.426 3.198 20 0 EGADMP c1ccc([C@@H]2C[C@H](NC[C@@H]3CC[NH+](C4CC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000638360636 461387079 /nfs/dbraw/zinc/38/70/79/461387079.db2.gz XQMQOVCSRINWDI-KPLVRAHFSA-N 2 1 339.527 3.428 20 0 EGADMP c1ccc([C@@H]2C[C@H](NC[C@@H]3CC[N@@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638360636 461387089 /nfs/dbraw/zinc/38/70/89/461387089.db2.gz XQMQOVCSRINWDI-KPLVRAHFSA-N 2 1 339.527 3.428 20 0 EGADMP c1ccc([C@@H]2C[C@H](NC[C@@H]3CC[N@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638360636 461387096 /nfs/dbraw/zinc/38/70/96/461387096.db2.gz XQMQOVCSRINWDI-KPLVRAHFSA-N 2 1 339.527 3.428 20 0 EGADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000655717150 461387769 /nfs/dbraw/zinc/38/77/69/461387769.db2.gz VTIJHTNPAUYMCY-OAHLLOKOSA-N 2 1 344.890 3.408 20 0 EGADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000655717150 461387780 /nfs/dbraw/zinc/38/77/80/461387780.db2.gz VTIJHTNPAUYMCY-OAHLLOKOSA-N 2 1 344.890 3.408 20 0 EGADMP CC(C)(C)c1cccc(OCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655730981 461398366 /nfs/dbraw/zinc/39/83/66/461398366.db2.gz SZBAYHNJFKXJEC-LJQANCHMSA-N 2 1 346.515 3.206 20 0 EGADMP CC[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Oc1cccc(C)c1 ZINC000655729718 461399927 /nfs/dbraw/zinc/39/99/27/461399927.db2.gz CXTZVPDGHQTMBX-FPOVZHCZSA-N 2 1 346.515 3.385 20 0 EGADMP CC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)Cc2ccccc2C1 ZINC000655737518 461405641 /nfs/dbraw/zinc/40/56/41/461405641.db2.gz YNBXCOILRJLRNK-HXUWFJFHSA-N 2 1 328.500 3.025 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC000666088744 461450426 /nfs/dbraw/zinc/45/04/26/461450426.db2.gz QAIVXZIGSVCBQO-IRXDYDNUSA-N 2 1 336.907 3.024 20 0 EGADMP c1ccc(CC[NH+]2CCC(N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000655850302 461498776 /nfs/dbraw/zinc/49/87/76/461498776.db2.gz UIDNJOOBWNJXSO-YADHBBJMSA-N 2 1 341.543 3.300 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]CC3)cc2)C1 ZINC000653108174 461505053 /nfs/dbraw/zinc/50/50/53/461505053.db2.gz LSWHXTCYXSTJKA-AEFFLSMTSA-N 2 1 329.488 3.247 20 0 EGADMP CC(C)(C)C(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000659946045 461507987 /nfs/dbraw/zinc/50/79/87/461507987.db2.gz ZBDJUAJQEAFTLO-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCOC[C@@H]3CCCO3)CC[N@@H+]2C2CC2)cc1 ZINC000638635657 461512289 /nfs/dbraw/zinc/51/22/89/461512289.db2.gz XPFQMKJVMKNKCS-JBACZVJFSA-N 2 1 344.499 3.140 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCOC[C@@H]3CCCO3)CC[N@H+]2C2CC2)cc1 ZINC000638635657 461512293 /nfs/dbraw/zinc/51/22/93/461512293.db2.gz XPFQMKJVMKNKCS-JBACZVJFSA-N 2 1 344.499 3.140 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(=O)[nH]c2)C[N@H+]1Cc1ccccc1 ZINC000631099167 461548909 /nfs/dbraw/zinc/54/89/09/461548909.db2.gz GEKFRAYEWAZBRB-SJLPKXTDSA-N 2 1 325.456 3.178 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CCCCn2cc[nH+]c2C)o1 ZINC000647186516 461553290 /nfs/dbraw/zinc/55/32/90/461553290.db2.gz NYBHTXIGXOOLSR-UHFFFAOYSA-N 2 1 327.432 3.063 20 0 EGADMP Brc1ccc2[nH+]ccc(N3CC[C@H]4CC[NH2+][C@@H]4C3)c2c1 ZINC000643031929 461594260 /nfs/dbraw/zinc/59/42/60/461594260.db2.gz ZNAHESBVCUKEPW-IAQYHMDHSA-N 2 1 332.245 3.186 20 0 EGADMP Brc1ccc2c(c1)[nH+]ccc2N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643031624 461594489 /nfs/dbraw/zinc/59/44/89/461594489.db2.gz TYUIHFRANYCTTE-ABAIWWIYSA-N 2 1 332.245 3.186 20 0 EGADMP COc1ccc([C@H](CC(C)C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000647288284 461615326 /nfs/dbraw/zinc/61/53/26/461615326.db2.gz ZEXNIQVWMJPNQT-NRFANRHFSA-N 2 1 347.547 3.400 20 0 EGADMP CCn1nc(C)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000631196202 461636203 /nfs/dbraw/zinc/63/62/03/461636203.db2.gz OSIZBAFOJSAERU-JXFKEZNVSA-N 2 1 340.515 3.378 20 0 EGADMP CCn1nc(C)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000631196203 461637495 /nfs/dbraw/zinc/63/74/95/461637495.db2.gz OSIZBAFOJSAERU-OXJNMPFZSA-N 2 1 340.515 3.378 20 0 EGADMP c1nc([C@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)C2CCCCC2)n[nH]1 ZINC000663466723 461655556 /nfs/dbraw/zinc/65/55/56/461655556.db2.gz XHGJHOWFXMPHAY-SJLPKXTDSA-N 2 1 331.508 3.138 20 0 EGADMP CCn1nccc1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000663471112 461658972 /nfs/dbraw/zinc/65/89/72/461658972.db2.gz RPBPLLLXIYMSOB-UHFFFAOYSA-N 2 1 326.488 3.436 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(OC)c1 ZINC000663470631 461660508 /nfs/dbraw/zinc/66/05/08/461660508.db2.gz VQYYFVYILDCPNG-WBVHZDCISA-N 2 1 332.488 3.476 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(OC)c1 ZINC000663470631 461660514 /nfs/dbraw/zinc/66/05/14/461660514.db2.gz VQYYFVYILDCPNG-WBVHZDCISA-N 2 1 332.488 3.476 20 0 EGADMP COc1ccc2[nH]cc(CC[NH2+][C@H](Cc3ccccc3)[C@H](C)[NH3+])c2c1 ZINC000643453628 461729787 /nfs/dbraw/zinc/72/97/87/461729787.db2.gz MEYSTYXWOLAOOE-YCRPNKLZSA-N 2 1 337.467 3.267 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000643458595 461735256 /nfs/dbraw/zinc/73/52/56/461735256.db2.gz ISQDWIKAMJAAIO-GCHJQGSQSA-N 2 1 332.332 3.484 20 0 EGADMP c1nc(C2CC2)ncc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000656411490 461738015 /nfs/dbraw/zinc/73/80/15/461738015.db2.gz JCAKQJJDYOQOKD-UHFFFAOYSA-N 2 1 328.504 3.442 20 0 EGADMP Cc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c(N2CCCC2)n1 ZINC000643471275 461738977 /nfs/dbraw/zinc/73/89/77/461738977.db2.gz MGQBNCKIKVPRBU-MJGOQNOKSA-N 2 1 330.520 3.391 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCC[NH2+]CC4)[C@H]3C2)cc1 ZINC000643480244 461742216 /nfs/dbraw/zinc/74/22/16/461742216.db2.gz KMXHTYNCVIKFHP-TUFLPTIASA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@H]4CCC[NH2+]CC4)[C@H]3C2)cc1 ZINC000643480244 461742223 /nfs/dbraw/zinc/74/22/23/461742223.db2.gz KMXHTYNCVIKFHP-TUFLPTIASA-N 2 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@H]4CCC[NH2+]CC4)[C@H]3C2)cc1 ZINC000643480244 461742228 /nfs/dbraw/zinc/74/22/28/461742228.db2.gz KMXHTYNCVIKFHP-TUFLPTIASA-N 2 1 327.516 3.019 20 0 EGADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CCO2 ZINC000643482386 461743504 /nfs/dbraw/zinc/74/35/04/461743504.db2.gz FXNYDKZFVYQIIX-GDAAHCPNSA-N 2 1 330.472 3.419 20 0 EGADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000656451934 461749123 /nfs/dbraw/zinc/74/91/23/461749123.db2.gz OGJYMWKVYWCOKY-ZHJUNHOOSA-N 2 1 334.463 3.430 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000643522758 461753217 /nfs/dbraw/zinc/75/32/17/461753217.db2.gz CQCDEMDHSRSNAM-CGXNFDGLSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000643522758 461753220 /nfs/dbraw/zinc/75/32/20/461753220.db2.gz CQCDEMDHSRSNAM-CGXNFDGLSA-N 3 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000643522758 461753229 /nfs/dbraw/zinc/75/32/29/461753229.db2.gz CQCDEMDHSRSNAM-CGXNFDGLSA-N 3 1 327.516 3.161 20 0 EGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647541384 461754708 /nfs/dbraw/zinc/75/47/08/461754708.db2.gz IDEWSGGNGVEUIS-KRWDZBQOSA-N 2 1 332.879 3.288 20 0 EGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647541384 461754715 /nfs/dbraw/zinc/75/47/15/461754715.db2.gz IDEWSGGNGVEUIS-KRWDZBQOSA-N 2 1 332.879 3.288 20 0 EGADMP Cc1ncc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1-c1ccccc1 ZINC000647543174 461756175 /nfs/dbraw/zinc/75/61/75/461756175.db2.gz IPSGUDOMTBFIJK-OALUTQOASA-N 2 1 338.499 3.392 20 0 EGADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647542884 461757587 /nfs/dbraw/zinc/75/75/87/461757587.db2.gz DIOASHUGCVOZSC-JKSUJKDBSA-N 2 1 336.549 3.201 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CN1CCCCC1)c1ccccc1 ZINC000653612368 461759111 /nfs/dbraw/zinc/75/91/11/461759111.db2.gz MSPWGWLQUQDLMT-FQEVSTJZSA-N 2 1 326.488 3.170 20 0 EGADMP Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000647544085 461759460 /nfs/dbraw/zinc/75/94/60/461759460.db2.gz WOASNDDQJNADEN-MOPGFXCFSA-N 2 1 338.499 3.299 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@H+](C)CCCn1cc[nH+]c1C)CC2 ZINC000639176070 461781852 /nfs/dbraw/zinc/78/18/52/461781852.db2.gz WEHCNWVCWKEVKQ-KRWDZBQOSA-N 2 1 329.444 3.218 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@@H+](C)CCCn1cc[nH+]c1C)CC2 ZINC000639176070 461781855 /nfs/dbraw/zinc/78/18/55/461781855.db2.gz WEHCNWVCWKEVKQ-KRWDZBQOSA-N 2 1 329.444 3.218 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(Cl)cc1O ZINC000639177047 461783663 /nfs/dbraw/zinc/78/36/63/461783663.db2.gz OSJPGHVMVYWWCV-CQSZACIVSA-N 2 1 338.879 3.218 20 0 EGADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000653671639 461798581 /nfs/dbraw/zinc/79/85/81/461798581.db2.gz ONNBHLSTTOJKTR-NVXWUHKLSA-N 2 1 344.421 3.197 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000653671639 461798585 /nfs/dbraw/zinc/79/85/85/461798585.db2.gz ONNBHLSTTOJKTR-NVXWUHKLSA-N 2 1 344.421 3.197 20 0 EGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000653671639 461798594 /nfs/dbraw/zinc/79/85/94/461798594.db2.gz ONNBHLSTTOJKTR-NVXWUHKLSA-N 2 1 344.421 3.197 20 0 EGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000653671639 461798599 /nfs/dbraw/zinc/79/85/99/461798599.db2.gz ONNBHLSTTOJKTR-NVXWUHKLSA-N 2 1 344.421 3.197 20 0 EGADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000653671638 461798943 /nfs/dbraw/zinc/79/89/43/461798943.db2.gz ONNBHLSTTOJKTR-DOTOQJQBSA-N 2 1 344.421 3.197 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000653671638 461798949 /nfs/dbraw/zinc/79/89/49/461798949.db2.gz ONNBHLSTTOJKTR-DOTOQJQBSA-N 2 1 344.421 3.197 20 0 EGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000653671638 461798956 /nfs/dbraw/zinc/79/89/56/461798956.db2.gz ONNBHLSTTOJKTR-DOTOQJQBSA-N 2 1 344.421 3.197 20 0 EGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000653671638 461798964 /nfs/dbraw/zinc/79/89/64/461798964.db2.gz ONNBHLSTTOJKTR-DOTOQJQBSA-N 2 1 344.421 3.197 20 0 EGADMP COCC1([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000639204233 461802268 /nfs/dbraw/zinc/80/22/68/461802268.db2.gz LNZINZPQUOZJRS-AZUAARDMSA-N 2 1 344.499 3.140 20 0 EGADMP COCC1([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000639204233 461802269 /nfs/dbraw/zinc/80/22/69/461802269.db2.gz LNZINZPQUOZJRS-AZUAARDMSA-N 2 1 344.499 3.140 20 0 EGADMP O[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639245465 461824195 /nfs/dbraw/zinc/82/41/95/461824195.db2.gz KVJBPRHIKBWBRE-UYWIDEMCSA-N 2 1 328.500 3.495 20 0 EGADMP O[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639245465 461824197 /nfs/dbraw/zinc/82/41/97/461824197.db2.gz KVJBPRHIKBWBRE-UYWIDEMCSA-N 2 1 328.500 3.495 20 0 EGADMP Cc1ccccc1-c1noc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)n1 ZINC000643895256 461832949 /nfs/dbraw/zinc/83/29/49/461832949.db2.gz MMFLXRQLXFQAJV-OAHLLOKOSA-N 2 1 326.444 3.009 20 0 EGADMP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000666856354 461837555 /nfs/dbraw/zinc/83/75/55/461837555.db2.gz CNCKHPIJHZZCKH-IRXDYDNUSA-N 2 1 338.879 3.130 20 0 EGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000656696925 461845832 /nfs/dbraw/zinc/84/58/32/461845832.db2.gz LEIIAFHNTZRVPU-KRWDZBQOSA-N 2 1 347.478 3.188 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000656696925 461845837 /nfs/dbraw/zinc/84/58/37/461845837.db2.gz LEIIAFHNTZRVPU-KRWDZBQOSA-N 2 1 347.478 3.188 20 0 EGADMP COc1ccc(C[C@H]2CCCC[N@@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000653779044 461854888 /nfs/dbraw/zinc/85/48/88/461854888.db2.gz MEJMMMHSHVNOAS-GOSISDBHSA-N 2 1 327.472 3.459 20 0 EGADMP COc1ccc(C[C@H]2CCCC[N@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000653779044 461854894 /nfs/dbraw/zinc/85/48/94/461854894.db2.gz MEJMMMHSHVNOAS-GOSISDBHSA-N 2 1 327.472 3.459 20 0 EGADMP CO[C@](C)(C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1)C1CC1 ZINC000647912364 461881636 /nfs/dbraw/zinc/88/16/36/461881636.db2.gz FXNOPMSLIJODRK-WOJBJXKFSA-N 2 1 331.504 3.183 20 0 EGADMP CO[C@](C)(C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1)C1CC1 ZINC000647912364 461881643 /nfs/dbraw/zinc/88/16/43/461881643.db2.gz FXNOPMSLIJODRK-WOJBJXKFSA-N 2 1 331.504 3.183 20 0 EGADMP CO[C@](C)(C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1)C1CC1 ZINC000647912364 461881650 /nfs/dbraw/zinc/88/16/50/461881650.db2.gz FXNOPMSLIJODRK-WOJBJXKFSA-N 2 1 331.504 3.183 20 0 EGADMP CO[C@](C)(C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1)C1CC1 ZINC000647912364 461881655 /nfs/dbraw/zinc/88/16/55/461881655.db2.gz FXNOPMSLIJODRK-WOJBJXKFSA-N 2 1 331.504 3.183 20 0 EGADMP CC[C@@H]1C[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC[C@H]1[NH3+] ZINC000647936963 461894929 /nfs/dbraw/zinc/89/49/29/461894929.db2.gz OKQRMWOAWLBQOF-SJLPKXTDSA-N 2 1 349.494 3.012 20 0 EGADMP CC[C@@H]1C[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC[C@H]1[NH3+] ZINC000647936963 461894931 /nfs/dbraw/zinc/89/49/31/461894931.db2.gz OKQRMWOAWLBQOF-SJLPKXTDSA-N 2 1 349.494 3.012 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000650705569 461897429 /nfs/dbraw/zinc/89/74/29/461897429.db2.gz LRBMXUUVIUGWDO-DJIMGWMZSA-N 2 1 342.405 3.424 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)C1 ZINC000650705557 461898002 /nfs/dbraw/zinc/89/80/02/461898002.db2.gz LGIVYSMYETXBKA-ZMSDIMECSA-N 2 1 340.414 3.006 20 0 EGADMP Cc1nc2ccc(C[N@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)cc2s1 ZINC000650707293 461898959 /nfs/dbraw/zinc/89/89/59/461898959.db2.gz CLDDCNQBUFUOPZ-LZLYRXPVSA-N 2 1 345.512 3.323 20 0 EGADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707157 461899653 /nfs/dbraw/zinc/89/96/53/461899653.db2.gz ZOTQMAWBSHQJTL-XCRHUMRWSA-N 2 1 338.879 3.067 20 0 EGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@H]2CCOc3ccccc32)cc1 ZINC000656790164 461899765 /nfs/dbraw/zinc/89/97/65/461899765.db2.gz NHVZCYMOSXDILO-KPFFTGBYSA-N 2 1 340.442 3.427 20 0 EGADMP CC(C)(C)c1nc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000650707044 461899889 /nfs/dbraw/zinc/89/98/89/461899889.db2.gz XLEBBZADGQOPBR-DZKIICNBSA-N 2 1 337.533 3.159 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709262 461903444 /nfs/dbraw/zinc/90/34/44/461903444.db2.gz NNKIQDWKDFBWPE-LPHOPBHVSA-N 2 1 344.890 3.395 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000660655263 461905612 /nfs/dbraw/zinc/90/56/12/461905612.db2.gz LLKGPVKDCLJEPV-WIYYLYMNSA-N 2 1 343.515 3.357 20 0 EGADMP Fc1cc(Br)ccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998103 461906117 /nfs/dbraw/zinc/90/61/17/461906117.db2.gz BHQLPMBSBVMQND-ZDUSSCGKSA-N 2 1 327.241 3.353 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000647956005 461906795 /nfs/dbraw/zinc/90/67/95/461906795.db2.gz SPMJMBCVDIBNIE-QGZVFWFLSA-N 2 1 329.488 3.048 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000647956005 461906801 /nfs/dbraw/zinc/90/68/01/461906801.db2.gz SPMJMBCVDIBNIE-QGZVFWFLSA-N 2 1 329.488 3.048 20 0 EGADMP C[C@@H]1C[C@@H](NCc2ccc(C[NH3+])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000650718141 461909287 /nfs/dbraw/zinc/90/92/87/461909287.db2.gz ZMHVQFDVJNGWQS-UZLBHIALSA-N 3 1 341.474 3.427 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)CCN1Cc1ccccc1 ZINC000650718141 461909293 /nfs/dbraw/zinc/90/92/93/461909293.db2.gz ZMHVQFDVJNGWQS-UZLBHIALSA-N 3 1 341.474 3.427 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975693 461917491 /nfs/dbraw/zinc/91/74/91/461917491.db2.gz DSMCKQAFRHWECB-BZUAXINKSA-N 2 1 349.906 3.379 20 0 EGADMP Fc1ccccc1-c1noc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647978213 461920870 /nfs/dbraw/zinc/92/08/70/461920870.db2.gz OJICJRRTHLISQG-GJZGRUSLSA-N 2 1 344.434 3.087 20 0 EGADMP CC(C)([NH3+])CCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000648167680 461995750 /nfs/dbraw/zinc/99/57/50/461995750.db2.gz LOLYFKNCWIQZMO-RTBURBONSA-N 2 1 343.515 3.017 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000644653120 462024183 /nfs/dbraw/zinc/02/41/83/462024183.db2.gz VDUXGBSLBVDHCL-YADHBBJMSA-N 2 1 338.495 3.263 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000644653120 462024185 /nfs/dbraw/zinc/02/41/85/462024185.db2.gz VDUXGBSLBVDHCL-YADHBBJMSA-N 2 1 338.495 3.263 20 0 EGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CCc4cnccn4)C3)CC2)cc1 ZINC000639655838 462042293 /nfs/dbraw/zinc/04/22/93/462042293.db2.gz OIVJPRSXCDJHAG-UHFFFAOYSA-N 2 1 336.483 3.007 20 0 EGADMP FC(F)(F)c1ncccc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684244 462056580 /nfs/dbraw/zinc/05/65/80/462056580.db2.gz HWFJGCPMAJOUPJ-UHFFFAOYSA-N 2 1 336.361 3.208 20 0 EGADMP FC(F)(F)c1ncccc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684244 462056586 /nfs/dbraw/zinc/05/65/86/462056586.db2.gz HWFJGCPMAJOUPJ-UHFFFAOYSA-N 2 1 336.361 3.208 20 0 EGADMP CC1([NH+]2CCCC2)CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000639981843 462203887 /nfs/dbraw/zinc/20/38/87/462203887.db2.gz UIOZRZNSRTXRDO-UHFFFAOYSA-N 2 1 333.451 3.105 20 0 EGADMP FC(F)(F)CC[NH+]1CCC(N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000657677979 462225451 /nfs/dbraw/zinc/22/54/51/462225451.db2.gz KPIMCQVQONLZFJ-INIZCTEOSA-N 2 1 347.469 3.400 20 0 EGADMP CO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000648798804 462283379 /nfs/dbraw/zinc/28/33/79/462283379.db2.gz INZNPKZDXUAOHR-OALUTQOASA-N 2 1 332.488 3.016 20 0 EGADMP CCOC1CCC([NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000657853041 462297498 /nfs/dbraw/zinc/29/74/98/462297498.db2.gz YOHICLPTNNFBJK-RPCJCACASA-N 2 1 346.515 3.345 20 0 EGADMP CCOC1CCC([NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000657853041 462297504 /nfs/dbraw/zinc/29/75/04/462297504.db2.gz YOHICLPTNNFBJK-RPCJCACASA-N 2 1 346.515 3.345 20 0 EGADMP C[C@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)[NH+]1CC(C)C1 ZINC000654636135 462319583 /nfs/dbraw/zinc/31/95/83/462319583.db2.gz ZYFOFINYGMQFRV-QGZVFWFLSA-N 2 1 329.488 3.341 20 0 EGADMP Cc1ccc(C)c(NC(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000640530662 462430853 /nfs/dbraw/zinc/43/08/53/462430853.db2.gz GDIZWBYUMKGISR-UHFFFAOYSA-N 2 1 331.504 3.440 20 0 EGADMP Cc1ccc(C)c(NC(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000640530662 462430859 /nfs/dbraw/zinc/43/08/59/462430859.db2.gz GDIZWBYUMKGISR-UHFFFAOYSA-N 2 1 331.504 3.440 20 0 EGADMP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1ccc(F)cc1F ZINC000640533467 462432197 /nfs/dbraw/zinc/43/21/97/462432197.db2.gz SFPMNUXXCRHQOT-UHFFFAOYSA-N 2 1 339.430 3.101 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1ccc(F)cc1F ZINC000640533467 462432202 /nfs/dbraw/zinc/43/22/02/462432202.db2.gz SFPMNUXXCRHQOT-UHFFFAOYSA-N 2 1 339.430 3.101 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652136710 462445796 /nfs/dbraw/zinc/44/57/96/462445796.db2.gz WRAFGQQIVDUTJZ-QGZVFWFLSA-N 2 1 348.487 3.380 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C2CC2)C2CC[NH2+]CC2)cc1 ZINC000649268852 462462306 /nfs/dbraw/zinc/46/23/06/462462306.db2.gz BTPAAZUWVMXSFY-UHFFFAOYSA-N 2 1 343.515 3.275 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CCC(C)(C)[NH3+])cc2)C1 ZINC000649291039 462469120 /nfs/dbraw/zinc/46/91/20/462469120.db2.gz BTISREUQYOFBQH-CALCHBBNSA-N 2 1 345.531 3.298 20 0 EGADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1nnc2n1CCCCC2 ZINC000661939634 462478252 /nfs/dbraw/zinc/47/82/52/462478252.db2.gz MGVUYRHMSSVJHV-MRXNPFEDSA-N 2 1 330.480 3.031 20 0 EGADMP C[C@@H](c1ccc2ccccc2c1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640992266 462536872 /nfs/dbraw/zinc/53/68/72/462536872.db2.gz SYJOLNONTDVHAI-INIZCTEOSA-N 2 1 349.482 3.006 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000180925004 534397120 /nfs/dbraw/zinc/39/71/20/534397120.db2.gz OYXOHSQZDSPGFA-QGZVFWFLSA-N 2 1 344.455 3.398 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158650248 528061047 /nfs/dbraw/zinc/06/10/47/528061047.db2.gz AGOLLZQMUDGETH-AQNXPRMDSA-N 2 1 343.515 3.012 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158650248 528061051 /nfs/dbraw/zinc/06/10/51/528061051.db2.gz AGOLLZQMUDGETH-AQNXPRMDSA-N 2 1 343.515 3.012 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158650248 528061055 /nfs/dbraw/zinc/06/10/55/528061055.db2.gz AGOLLZQMUDGETH-AQNXPRMDSA-N 2 1 343.515 3.012 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158650248 528061058 /nfs/dbraw/zinc/06/10/58/528061058.db2.gz AGOLLZQMUDGETH-AQNXPRMDSA-N 2 1 343.515 3.012 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)c2ccccc2)[C@H](C)C1 ZINC000131437319 528669603 /nfs/dbraw/zinc/66/96/03/528669603.db2.gz SCSKJTSWNSCFIY-HOJAQTOUSA-N 2 1 334.504 3.101 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000191501362 528866477 /nfs/dbraw/zinc/86/64/77/528866477.db2.gz ABWHDFXDVYVZBF-HNNXBMFYSA-N 2 1 346.450 3.324 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000191501362 528866479 /nfs/dbraw/zinc/86/64/79/528866479.db2.gz ABWHDFXDVYVZBF-HNNXBMFYSA-N 2 1 346.450 3.324 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000246883546 535760680 /nfs/dbraw/zinc/76/06/80/535760680.db2.gz WPXWXMKJFHCPHG-AZUAARDMSA-N 2 1 343.515 3.014 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000246949617 535767863 /nfs/dbraw/zinc/76/78/63/535767863.db2.gz IHHQHJVGZOOIEB-YOEHRIQHSA-N 2 1 337.895 3.379 20 0 EGADMP CCC[N@H+]1CC[C@H](CN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090171158 546654440 /nfs/dbraw/zinc/65/44/40/546654440.db2.gz NXVLDNXUUXXUSU-WOJBJXKFSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@H](CN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090171158 546654443 /nfs/dbraw/zinc/65/44/43/546654443.db2.gz NXVLDNXUUXXUSU-WOJBJXKFSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@H](CN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090171158 546654446 /nfs/dbraw/zinc/65/44/46/546654446.db2.gz NXVLDNXUUXXUSU-WOJBJXKFSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000090171158 546654450 /nfs/dbraw/zinc/65/44/50/546654450.db2.gz NXVLDNXUUXXUSU-WOJBJXKFSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000090171158 546654452 /nfs/dbraw/zinc/65/44/52/546654452.db2.gz NXVLDNXUUXXUSU-WOJBJXKFSA-N 2 1 329.532 3.361 20 0 EGADMP CC(=O)Nc1cccc(CN[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000155437266 546903157 /nfs/dbraw/zinc/90/31/57/546903157.db2.gz FTFAQTADSKCWOV-HRAATJIYSA-N 2 1 337.467 3.398 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000163270733 546970470 /nfs/dbraw/zinc/97/04/70/546970470.db2.gz VWJMKVORCSLKTL-WFXMLNOXSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000163270733 546970478 /nfs/dbraw/zinc/97/04/78/546970478.db2.gz VWJMKVORCSLKTL-WFXMLNOXSA-N 3 1 329.532 3.359 20 0 EGADMP CC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000166193004 546988365 /nfs/dbraw/zinc/98/83/65/546988365.db2.gz JQUSSOUIFZZKRD-RTBURBONSA-N 2 1 328.504 3.034 20 0 EGADMP CC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000166193004 546988367 /nfs/dbraw/zinc/98/83/67/546988367.db2.gz JQUSSOUIFZZKRD-RTBURBONSA-N 2 1 328.504 3.034 20 0 EGADMP CCCn1nccc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310207583 547462000 /nfs/dbraw/zinc/46/20/00/547462000.db2.gz DGHCQFSXVZMOMH-IEBWSBKVSA-N 2 1 326.488 3.293 20 0 EGADMP CCCn1nccc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310207583 547462002 /nfs/dbraw/zinc/46/20/02/547462002.db2.gz DGHCQFSXVZMOMH-IEBWSBKVSA-N 2 1 326.488 3.293 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)CC[N@H+]1CCCC[C@H]1C)c1ccco1 ZINC000339255689 547572549 /nfs/dbraw/zinc/57/25/49/547572549.db2.gz QQRMBBHGHCGBPO-IAGOWNOFSA-N 2 1 335.492 3.043 20 0 EGADMP Cc1cc(NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)nc(C)[nH+]1 ZINC000340950886 547585661 /nfs/dbraw/zinc/58/56/61/547585661.db2.gz INIWTLLOOYZLIA-SFHVURJKSA-N 2 1 328.460 3.017 20 0 EGADMP C[NH+](C)CCOC1CC[NH+](Cc2cscc2Br)CC1 ZINC000347789087 547626047 /nfs/dbraw/zinc/62/60/47/547626047.db2.gz SOZTYZGTLXARGV-UHFFFAOYSA-N 2 1 347.322 3.053 20 0 EGADMP CO[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000441375346 547914628 /nfs/dbraw/zinc/91/46/28/547914628.db2.gz HXIRXQRACJRKKI-CADBVGFASA-N 2 1 326.525 3.155 20 0 EGADMP CO[C@@H]1CC[N@@H+](CCCCC[NH+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000441375346 547914632 /nfs/dbraw/zinc/91/46/32/547914632.db2.gz HXIRXQRACJRKKI-CADBVGFASA-N 2 1 326.525 3.155 20 0 EGADMP CO[C@@H]1CC[N@H+](CCCCC[NH+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000441375346 547914634 /nfs/dbraw/zinc/91/46/34/547914634.db2.gz HXIRXQRACJRKKI-CADBVGFASA-N 2 1 326.525 3.155 20 0 EGADMP C[C@@H]([NH2+]Cc1cnc(C2CC2)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459471096 547943312 /nfs/dbraw/zinc/94/33/12/547943312.db2.gz FVCGFYWSRNMLGO-UZLBHIALSA-N 2 1 336.483 3.354 20 0 EGADMP C[C@@H]([NH2+]Cc1cnc(C2CC2)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459471096 547943316 /nfs/dbraw/zinc/94/33/16/547943316.db2.gz FVCGFYWSRNMLGO-UZLBHIALSA-N 2 1 336.483 3.354 20 0 EGADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000675809567 548986707 /nfs/dbraw/zinc/98/67/07/548986707.db2.gz KVUVGNOFAYHYSL-UIFIKXQLSA-N 2 1 327.516 3.286 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000675809567 548986713 /nfs/dbraw/zinc/98/67/13/548986713.db2.gz KVUVGNOFAYHYSL-UIFIKXQLSA-N 2 1 327.516 3.286 20 0 EGADMP Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(OCC[NH+](C)C)cc2)on1 ZINC000678183269 549420500 /nfs/dbraw/zinc/42/05/00/549420500.db2.gz SJVIXVPIHABSRJ-SFHVURJKSA-N 2 1 329.444 3.261 20 0 EGADMP C[C@H]1SCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]1C ZINC000678271592 549453172 /nfs/dbraw/zinc/45/31/72/549453172.db2.gz YPVJGEVOORFXNT-IAGOWNOFSA-N 2 1 334.529 3.487 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2cccc(OC)c2)C1 ZINC000678284123 549459041 /nfs/dbraw/zinc/45/90/41/549459041.db2.gz VSPUKYWZVKWNSX-MRXNPFEDSA-N 2 1 342.487 3.249 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2cccc(OC)c2)C1 ZINC000678284123 549459042 /nfs/dbraw/zinc/45/90/42/549459042.db2.gz VSPUKYWZVKWNSX-MRXNPFEDSA-N 2 1 342.487 3.249 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(OC)c2)C1 ZINC000678284123 549459045 /nfs/dbraw/zinc/45/90/45/549459045.db2.gz VSPUKYWZVKWNSX-MRXNPFEDSA-N 2 1 342.487 3.249 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(OC)c2)C1 ZINC000678284123 549459047 /nfs/dbraw/zinc/45/90/47/549459047.db2.gz VSPUKYWZVKWNSX-MRXNPFEDSA-N 2 1 342.487 3.249 20 0 EGADMP Cc1c(C[NH+]2CCSCC2)cccc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000679143774 549643861 /nfs/dbraw/zinc/64/38/61/549643861.db2.gz ZTEWSSRLFXMCBL-QAPCUYQASA-N 2 1 333.545 3.438 20 0 EGADMP C[C@H](Cc1ccsc1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681756044 550033264 /nfs/dbraw/zinc/03/32/64/550033264.db2.gz XEZKPQZNVHQKAK-YLJYHZDGSA-N 2 1 344.524 3.248 20 0 EGADMP C[C@H](Cc1ccsc1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681756044 550033266 /nfs/dbraw/zinc/03/32/66/550033266.db2.gz XEZKPQZNVHQKAK-YLJYHZDGSA-N 2 1 344.524 3.248 20 0 EGADMP C[C@H](Cc1ccsc1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681756044 550033267 /nfs/dbraw/zinc/03/32/67/550033267.db2.gz XEZKPQZNVHQKAK-YLJYHZDGSA-N 2 1 344.524 3.248 20 0 EGADMP C[C@H](Cc1ccsc1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681756044 550033269 /nfs/dbraw/zinc/03/32/69/550033269.db2.gz XEZKPQZNVHQKAK-YLJYHZDGSA-N 2 1 344.524 3.248 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CC2(O)CCCCCC2)cc1 ZINC000681754519 550033296 /nfs/dbraw/zinc/03/32/96/550033296.db2.gz VLVMWXOMSLPWSZ-UHFFFAOYSA-N 2 1 334.504 3.144 20 0 EGADMP Cc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000682912779 550162442 /nfs/dbraw/zinc/16/24/42/550162442.db2.gz JZFYFVSXNBOJEY-MOPGFXCFSA-N 2 1 344.547 3.420 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3cnccc3c2)[C@@H](C)C1 ZINC000683769874 550259632 /nfs/dbraw/zinc/25/96/32/550259632.db2.gz FOFWJMUASNQWNZ-LAUBAEHRSA-N 2 1 341.499 3.461 20 0 EGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000683818314 550264811 /nfs/dbraw/zinc/26/48/11/550264811.db2.gz GAHKWPWWMFDHLJ-XLIONFOSSA-N 2 1 334.504 3.242 20 0 EGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684966279 550389755 /nfs/dbraw/zinc/38/97/55/550389755.db2.gz BOJCOEOGWHMYPQ-UHFFFAOYSA-N 3 1 345.531 3.079 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684966279 550389758 /nfs/dbraw/zinc/38/97/58/550389758.db2.gz BOJCOEOGWHMYPQ-UHFFFAOYSA-N 3 1 345.531 3.079 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000684966638 550389859 /nfs/dbraw/zinc/38/98/59/550389859.db2.gz KTDOQZPJXFJYRO-UHFFFAOYSA-N 2 1 328.460 3.003 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000684966638 550389860 /nfs/dbraw/zinc/38/98/60/550389860.db2.gz KTDOQZPJXFJYRO-UHFFFAOYSA-N 2 1 328.460 3.003 20 0 EGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000685459743 550419806 /nfs/dbraw/zinc/41/98/06/550419806.db2.gz POVLVPIWBZJDCR-UHFFFAOYSA-N 2 1 342.487 3.393 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000685459743 550419807 /nfs/dbraw/zinc/41/98/07/550419807.db2.gz POVLVPIWBZJDCR-UHFFFAOYSA-N 2 1 342.487 3.393 20 0 EGADMP CCC[C@]1(CO)CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000685477457 550422411 /nfs/dbraw/zinc/42/24/11/550422411.db2.gz HTACUZQXNKBVRI-NRFANRHFSA-N 2 1 346.515 3.146 20 0 EGADMP c1coc([C@H](CNc2nccc(N3CCCC3)n2)N2CCCCC2)c1 ZINC000730106579 574920116 /nfs/dbraw/zinc/92/01/16/574920116.db2.gz KXJXZEVEDSZHIU-INIZCTEOSA-N 2 1 341.459 3.309 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000732136799 575239148 /nfs/dbraw/zinc/23/91/48/575239148.db2.gz WQXCYTAXDMJCTQ-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccc3ccccc3c2)CC1 ZINC000732569517 575276300 /nfs/dbraw/zinc/27/63/00/575276300.db2.gz PGYRKDWHKQJWSR-UHFFFAOYSA-N 2 1 325.456 3.052 20 0 EGADMP C=Cn1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000683704741 576186343 /nfs/dbraw/zinc/18/63/43/576186343.db2.gz FEEDTAGCYKOLED-PCCBWWKXSA-N 2 1 336.483 3.374 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000076004979 1292417001 /nfs/dbraw/zinc/41/70/01/1292417001.db2.gz VVMMSFDDDCIVMQ-LJQANCHMSA-N 2 1 343.515 3.086 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000076004979 1292417005 /nfs/dbraw/zinc/41/70/05/1292417005.db2.gz VVMMSFDDDCIVMQ-LJQANCHMSA-N 2 1 343.515 3.086 20 0 EGADMP FC(F)(F)c1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000076763674 1292441512 /nfs/dbraw/zinc/44/15/12/1292441512.db2.gz BZJSOZBACRPFQE-AWEZNQCLSA-N 2 1 342.405 3.296 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000077434976 1292464675 /nfs/dbraw/zinc/46/46/75/1292464675.db2.gz ZUELFCGUAJXTFY-INIZCTEOSA-N 2 1 326.488 3.311 20 0 EGADMP C[N@H+](CC(=O)NC1CCC([NH+]2CCCCC2)CC1)Cc1ccccc1 ZINC000079756398 1292575568 /nfs/dbraw/zinc/57/55/68/1292575568.db2.gz MIOPGSKUVSIEHX-UHFFFAOYSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@@H+](CC(=O)NC1CCC([NH+]2CCCCC2)CC1)Cc1ccccc1 ZINC000079756398 1292575576 /nfs/dbraw/zinc/57/55/76/1292575576.db2.gz MIOPGSKUVSIEHX-UHFFFAOYSA-N 2 1 343.515 3.032 20 0 EGADMP CCCCn1nc(C)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1Cl ZINC000093088804 1292908215 /nfs/dbraw/zinc/90/82/15/1292908215.db2.gz WSNFWIAKYNIABZ-UHFFFAOYSA-N 2 1 326.916 3.419 20 0 EGADMP CCCCn1nc(C)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1Cl ZINC000093088804 1292908222 /nfs/dbraw/zinc/90/82/22/1292908222.db2.gz WSNFWIAKYNIABZ-UHFFFAOYSA-N 2 1 326.916 3.419 20 0 EGADMP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3c(F)cccc3F)cc2)CC1 ZINC000105495790 1293041398 /nfs/dbraw/zinc/04/13/98/1293041398.db2.gz CSQQPQZTJRMOKB-UHFFFAOYSA-N 2 1 346.421 3.211 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000107279990 1293063602 /nfs/dbraw/zinc/06/36/02/1293063602.db2.gz VUSYYVNQTZURIO-IBGZPJMESA-N 2 1 347.503 3.220 20 0 EGADMP CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000120340601 1293316353 /nfs/dbraw/zinc/31/63/53/1293316353.db2.gz JYYALEWMALVCTB-GVDBMIGSSA-N 2 1 341.540 3.390 20 0 EGADMP CC(C)(C)c1nnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000121640583 1293381205 /nfs/dbraw/zinc/38/12/05/1293381205.db2.gz VAMCSMGWNXUIED-UHFFFAOYSA-N 2 1 334.508 3.455 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccccc1-c1ccccc1 ZINC000123025290 1293432204 /nfs/dbraw/zinc/43/22/04/1293432204.db2.gz UNHWGMIBQVLTDB-UHFFFAOYSA-N 2 1 337.511 3.423 20 0 EGADMP CCOC(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)OCC ZINC000124693044 1293482518 /nfs/dbraw/zinc/48/25/18/1293482518.db2.gz UQFDNJKDMROTBF-WOJBJXKFSA-N 2 1 346.515 3.372 20 0 EGADMP CCOC(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)OCC ZINC000124693044 1293482521 /nfs/dbraw/zinc/48/25/21/1293482521.db2.gz UQFDNJKDMROTBF-WOJBJXKFSA-N 2 1 346.515 3.372 20 0 EGADMP CCOC(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)OCC ZINC000124693044 1293482523 /nfs/dbraw/zinc/48/25/23/1293482523.db2.gz UQFDNJKDMROTBF-WOJBJXKFSA-N 2 1 346.515 3.372 20 0 EGADMP CCOC(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)OCC ZINC000124693044 1293482528 /nfs/dbraw/zinc/48/25/28/1293482528.db2.gz UQFDNJKDMROTBF-WOJBJXKFSA-N 2 1 346.515 3.372 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3COC4(CCCCC4)O3)CC2)cc1 ZINC000126158075 1293526825 /nfs/dbraw/zinc/52/68/25/1293526825.db2.gz VRXQNIQQIURGGK-FQEVSTJZSA-N 2 1 344.499 3.316 20 0 EGADMP CC[N@H+]1CC[C@H](CNCc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000130769884 1293668476 /nfs/dbraw/zinc/66/84/76/1293668476.db2.gz FKYPGSQPDDUYKP-GFCCVEGCSA-N 2 1 340.393 3.024 20 0 EGADMP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(F)cc2Cl)ccn1 ZINC000136209331 1293813372 /nfs/dbraw/zinc/81/33/72/1293813372.db2.gz MLOOGEJVFCYUTG-UHFFFAOYSA-N 2 1 337.826 3.104 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000153087355 1293998854 /nfs/dbraw/zinc/99/88/54/1293998854.db2.gz UWJHFIUCLYDSLM-FQEVSTJZSA-N 2 1 345.531 3.121 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000153087355 1293998856 /nfs/dbraw/zinc/99/88/56/1293998856.db2.gz UWJHFIUCLYDSLM-FQEVSTJZSA-N 2 1 345.531 3.121 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000153087355 1293998859 /nfs/dbraw/zinc/99/88/59/1293998859.db2.gz UWJHFIUCLYDSLM-FQEVSTJZSA-N 2 1 345.531 3.121 20 0 EGADMP C([NH2+]C1CCC2(CC1)OCCO2)[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000161426877 1294292061 /nfs/dbraw/zinc/29/20/61/1294292061.db2.gz MZNCFZPVOIZNAB-IBGZPJMESA-N 2 1 336.520 3.306 20 0 EGADMP CC(C)[NH+]1CCC([NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000181720740 1294989028 /nfs/dbraw/zinc/98/90/28/1294989028.db2.gz MKZAGBLDXAJWQD-UHFFFAOYSA-N 2 1 340.467 3.244 20 0 EGADMP CCC1(CC)[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C[C@@H]1OC ZINC000181851860 1294997244 /nfs/dbraw/zinc/99/72/44/1294997244.db2.gz RSVZTVUCKVPWIA-MSOLQXFVSA-N 2 1 326.525 3.059 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870867536 1296121466 /nfs/dbraw/zinc/12/14/66/1296121466.db2.gz QLMPBCOGPMCOBW-HLIPFELVSA-N 2 1 343.515 3.052 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(Br)c2)C1 ZINC000236862218 1296208105 /nfs/dbraw/zinc/20/81/05/1296208105.db2.gz RSFMDZWYIGLXIA-AWEZNQCLSA-N 2 1 341.293 3.279 20 0 EGADMP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000237685905 1296259043 /nfs/dbraw/zinc/25/90/43/1296259043.db2.gz HREPGTJRHSZXIF-CVEARBPZSA-N 2 1 328.378 3.344 20 0 EGADMP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000237685905 1296259049 /nfs/dbraw/zinc/25/90/49/1296259049.db2.gz HREPGTJRHSZXIF-CVEARBPZSA-N 2 1 328.378 3.344 20 0 EGADMP O[C@H](C[NH2+]Cc1ccc(-c2cccc(F)c2)s1)C[NH+]1CCCC1 ZINC000237966067 1296273854 /nfs/dbraw/zinc/27/38/54/1296273854.db2.gz OCGGQAWDDKXESU-MRXNPFEDSA-N 2 1 334.460 3.101 20 0 EGADMP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261850553 1296604910 /nfs/dbraw/zinc/60/49/10/1296604910.db2.gz ZXGCJXZDXVKBEE-QGZVFWFLSA-N 2 1 335.879 3.051 20 0 EGADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1OCC(C)C ZINC000262066090 1296616304 /nfs/dbraw/zinc/61/63/04/1296616304.db2.gz RRJKHCLLLUCEIK-UHFFFAOYSA-N 2 1 332.488 3.306 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cccc(O)c3F)CC2)nc(C)[nH+]1 ZINC000872043422 1296692756 /nfs/dbraw/zinc/69/27/56/1296692756.db2.gz YDCVOSAAYUBSCD-CYBMUJFWSA-N 2 1 344.434 3.258 20 0 EGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccco3)no2)C1)C1CCCC1 ZINC000872156901 1296774852 /nfs/dbraw/zinc/77/48/52/1296774852.db2.gz MGWVDCMGGKVEDM-HOCLYGCPSA-N 2 1 344.459 3.449 20 0 EGADMP [NH3+][C@@H](C[C@@H]1CCC[N@H+](Cc2nccn2C(F)F)C1)C1CCCC1 ZINC000872157743 1296777037 /nfs/dbraw/zinc/77/70/37/1296777037.db2.gz QKIJELXANUQUSU-ZFWWWQNUSA-N 2 1 326.435 3.398 20 0 EGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2nccn2C(F)F)C1)C1CCCC1 ZINC000872157743 1296777051 /nfs/dbraw/zinc/77/70/51/1296777051.db2.gz QKIJELXANUQUSU-ZFWWWQNUSA-N 2 1 326.435 3.398 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000300369603 1296781668 /nfs/dbraw/zinc/78/16/68/1296781668.db2.gz YTGYBWYODWCOCD-JYJNAYRXSA-N 2 1 327.513 3.142 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000300369603 1296781680 /nfs/dbraw/zinc/78/16/80/1296781680.db2.gz YTGYBWYODWCOCD-JYJNAYRXSA-N 2 1 327.513 3.142 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000301962843 1296795642 /nfs/dbraw/zinc/79/56/42/1296795642.db2.gz PJCSGZDOROVGJZ-IKGGRYGDSA-N 2 1 339.524 3.144 20 0 EGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000305344549 1297009387 /nfs/dbraw/zinc/00/93/87/1297009387.db2.gz XPHHNACDZGXEKH-IRXDYDNUSA-N 2 1 341.540 3.484 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000310078373 1297090175 /nfs/dbraw/zinc/09/01/75/1297090175.db2.gz YFOWRLIFZWFEAY-INIZCTEOSA-N 2 1 339.524 3.096 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000311238650 1297106593 /nfs/dbraw/zinc/10/65/93/1297106593.db2.gz VISBVLOFRWKYPE-PLACYPQZSA-N 2 1 346.515 3.071 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)[C@H](n2cncn2)C1 ZINC000340186425 1297310603 /nfs/dbraw/zinc/31/06/03/1297310603.db2.gz QYRAOQKIHLTFJF-YDZRNGNQSA-N 2 1 333.524 3.252 20 0 EGADMP C[C@H](O)c1ncc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)s1 ZINC000873232650 1297375324 /nfs/dbraw/zinc/37/53/24/1297375324.db2.gz UTCRAKYQYFPWIL-GRDNDAEWSA-N 2 1 337.533 3.316 20 0 EGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CC[NH2+]C(C)(C)C ZINC000398173011 1297715692 /nfs/dbraw/zinc/71/56/92/1297715692.db2.gz VARWEIYJCOAHSE-GOSISDBHSA-N 2 1 333.520 3.037 20 0 EGADMP CC(C)[C@H]1CN(C(=O)CC[NH2+]C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000707529339 1298230859 /nfs/dbraw/zinc/23/08/59/1298230859.db2.gz TVPGYOFJVXAXJH-LJQANCHMSA-N 2 1 345.531 3.134 20 0 EGADMP O[C@@H](C[N@H+](CCc1ccc(F)cc1)C1CCCC1)C[NH+]1CCCC1 ZINC000746659378 1298636299 /nfs/dbraw/zinc/63/62/99/1298636299.db2.gz NZKFWQNOQYZMMV-HXUWFJFHSA-N 2 1 334.479 3.070 20 0 EGADMP O[C@@H](C[N@@H+](CCc1ccc(F)cc1)C1CCCC1)C[NH+]1CCCC1 ZINC000746659378 1298636315 /nfs/dbraw/zinc/63/63/15/1298636315.db2.gz NZKFWQNOQYZMMV-HXUWFJFHSA-N 2 1 334.479 3.070 20 0 EGADMP CCOC(=O)N1CCC(C)(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000876561320 1298828115 /nfs/dbraw/zinc/82/81/15/1298828115.db2.gz QXRNEOUVQODSKS-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000876810775 1299004163 /nfs/dbraw/zinc/00/41/63/1299004163.db2.gz DLTPFSIZWGFSOA-SFHLNBCPSA-N 2 1 346.515 3.467 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000877020303 1299116744 /nfs/dbraw/zinc/11/67/44/1299116744.db2.gz ONROYAWRLFCZCC-INIZCTEOSA-N 2 1 341.540 3.247 20 0 EGADMP CC1(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)OCCO1 ZINC000877345734 1299255160 /nfs/dbraw/zinc/25/51/60/1299255160.db2.gz AWGVIIZLWHSFKZ-HKUYNNGSSA-N 2 1 330.472 3.097 20 0 EGADMP CC1(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)OCCO1 ZINC000877345734 1299255175 /nfs/dbraw/zinc/25/51/75/1299255175.db2.gz AWGVIIZLWHSFKZ-HKUYNNGSSA-N 2 1 330.472 3.097 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000878287828 1299894323 /nfs/dbraw/zinc/89/43/23/1299894323.db2.gz JIBPROOXUXIOLK-GOSISDBHSA-N 2 1 328.460 3.239 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000878287828 1299894331 /nfs/dbraw/zinc/89/43/31/1299894331.db2.gz JIBPROOXUXIOLK-GOSISDBHSA-N 2 1 328.460 3.239 20 0 EGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000756105269 1300440267 /nfs/dbraw/zinc/44/02/67/1300440267.db2.gz KMNDWJIMXWTDRJ-UHFFFAOYSA-N 2 1 348.491 3.391 20 0 EGADMP C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879250106 1300454403 /nfs/dbraw/zinc/45/44/03/1300454403.db2.gz MOPKJNYURNAKLJ-MRXNPFEDSA-N 2 1 346.523 3.047 20 0 EGADMP C[N@H+]1CCCC[C@H]1CCN1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879550714 1300592303 /nfs/dbraw/zinc/59/23/03/1300592303.db2.gz HPUJWKQLKHFZJA-KRWDZBQOSA-N 2 1 332.492 3.391 20 0 EGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879550714 1300592308 /nfs/dbraw/zinc/59/23/08/1300592308.db2.gz HPUJWKQLKHFZJA-KRWDZBQOSA-N 2 1 332.492 3.391 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879550714 1300592312 /nfs/dbraw/zinc/59/23/12/1300592312.db2.gz HPUJWKQLKHFZJA-KRWDZBQOSA-N 2 1 332.492 3.391 20 0 EGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000759143838 1301024645 /nfs/dbraw/zinc/02/46/45/1301024645.db2.gz XQYDTPPLRHBYCF-HNNXBMFYSA-N 2 1 341.540 3.390 20 0 EGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000759143838 1301024658 /nfs/dbraw/zinc/02/46/58/1301024658.db2.gz XQYDTPPLRHBYCF-HNNXBMFYSA-N 2 1 341.540 3.390 20 0 EGADMP C[N@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000759153997 1301027778 /nfs/dbraw/zinc/02/77/78/1301027778.db2.gz RDDCECKIFWTURY-BLLLJJGKSA-N 2 1 331.287 3.300 20 0 EGADMP C[N@@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000759153997 1301027788 /nfs/dbraw/zinc/02/77/88/1301027788.db2.gz RDDCECKIFWTURY-BLLLJJGKSA-N 2 1 331.287 3.300 20 0 EGADMP C[NH+](C[C@@H](O)c1ccc(Cl)cc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000759153997 1301027802 /nfs/dbraw/zinc/02/78/02/1301027802.db2.gz RDDCECKIFWTURY-BLLLJJGKSA-N 2 1 331.287 3.300 20 0 EGADMP C[NH+](C[C@@H](O)c1ccc(Cl)cc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000759153997 1301027815 /nfs/dbraw/zinc/02/78/15/1301027815.db2.gz RDDCECKIFWTURY-BLLLJJGKSA-N 2 1 331.287 3.300 20 0 EGADMP COc1cccc2cc(C[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)oc21 ZINC000762479564 1301687928 /nfs/dbraw/zinc/68/79/28/1301687928.db2.gz HBCBIIOLPZSPCY-HNNXBMFYSA-N 2 1 332.444 3.032 20 0 EGADMP COc1cccc2cc(C[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)oc21 ZINC000762479564 1301687931 /nfs/dbraw/zinc/68/79/31/1301687931.db2.gz HBCBIIOLPZSPCY-HNNXBMFYSA-N 2 1 332.444 3.032 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H](c2ccccc2)C2CCOCC2)CCCO1 ZINC000762646604 1301721694 /nfs/dbraw/zinc/72/16/94/1301721694.db2.gz AMUDCMIRQGHVSP-RXVVDRJESA-N 2 1 346.515 3.245 20 0 EGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000765973122 1302359797 /nfs/dbraw/zinc/35/97/97/1302359797.db2.gz CQEPWZHSOIOJOB-LZJOCLMNSA-N 2 1 346.515 3.420 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1N(C)C ZINC000765975789 1302360824 /nfs/dbraw/zinc/36/08/24/1302360824.db2.gz KDOVNNXJHLVKTI-QAPCUYQASA-N 2 1 349.494 3.186 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)cc1 ZINC000768184685 1302846953 /nfs/dbraw/zinc/84/69/53/1302846953.db2.gz SWBSVQDLWQRBQC-UHFFFAOYSA-N 2 1 326.440 3.151 20 0 EGADMP C[C@H](C(=O)OCC[NH+](C)Cc1ccc(F)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000769110104 1303049421 /nfs/dbraw/zinc/04/94/21/1303049421.db2.gz VZSBCUIEVLVSRT-OWCLPIDISA-N 2 1 336.451 3.062 20 0 EGADMP C[C@H](C(=O)OCC[N@H+](C)Cc1ccc(F)cc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000769110104 1303049426 /nfs/dbraw/zinc/04/94/26/1303049426.db2.gz VZSBCUIEVLVSRT-OWCLPIDISA-N 2 1 336.451 3.062 20 0 EGADMP C[C@H](C(=O)OCC[N@@H+](C)Cc1ccc(F)cc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000769110104 1303049433 /nfs/dbraw/zinc/04/94/33/1303049433.db2.gz VZSBCUIEVLVSRT-OWCLPIDISA-N 2 1 336.451 3.062 20 0 EGADMP CC[C@H](C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000769685196 1303157308 /nfs/dbraw/zinc/15/73/08/1303157308.db2.gz RCRYIROVIMKAAN-OWCLPIDISA-N 2 1 327.513 3.142 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCOC3(CCOCC3)C2)C1 ZINC000885923737 1303278153 /nfs/dbraw/zinc/27/81/53/1303278153.db2.gz BUXJOZHTHDCDLU-OTWHNJEPSA-N 2 1 338.536 3.062 20 0 EGADMP CO[C@@H]1CC[C@H]([NH+](C)[C@@H]2CC[C@@H]([N@H+](C)[C@@H]3CC[C@H](OC)C3)CC2)C1 ZINC000886389452 1303454250 /nfs/dbraw/zinc/45/42/50/1303454250.db2.gz JSMBLKDBBALJAC-XRRMGXKQSA-N 2 1 338.536 3.296 20 0 EGADMP CO[C@@H]1CC[C@H]([N@@H+](C)[C@@H]2CC[C@@H]([NH+](C)[C@@H]3CC[C@H](OC)C3)CC2)C1 ZINC000886389452 1303454253 /nfs/dbraw/zinc/45/42/53/1303454253.db2.gz JSMBLKDBBALJAC-XRRMGXKQSA-N 2 1 338.536 3.296 20 0 EGADMP CO[C@@H]1CC[C@H]([N@H+](C)[C@@H]2CC[C@@H]([NH+](C)[C@@H]3CC[C@H](OC)C3)CC2)C1 ZINC000886389452 1303454255 /nfs/dbraw/zinc/45/42/55/1303454255.db2.gz JSMBLKDBBALJAC-XRRMGXKQSA-N 2 1 338.536 3.296 20 0 EGADMP Cc1[nH]c(C2CC[NH+](CCC(=O)OCc3ccccc3)CC2)[nH+]c1C ZINC000886662885 1303543617 /nfs/dbraw/zinc/54/36/17/1303543617.db2.gz OLFYUVDYSCVZDG-UHFFFAOYSA-N 2 1 341.455 3.339 20 0 EGADMP Cc1[nH]c(C2CC[NH+](CC3CN(C(=O)OC(C)(C)C)C3)CC2)[nH+]c1C ZINC000886662528 1303544057 /nfs/dbraw/zinc/54/40/57/1303544057.db2.gz GEWHQDQCEHMWTA-UHFFFAOYSA-N 2 1 348.491 3.073 20 0 EGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCCC(=O)OC(C)(C)C ZINC000887135107 1303687500 /nfs/dbraw/zinc/68/75/00/1303687500.db2.gz WILPJGUACYFQAN-MRXNPFEDSA-N 2 1 333.476 3.104 20 0 EGADMP C[NH+](C)C1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000774303935 1303795576 /nfs/dbraw/zinc/79/55/76/1303795576.db2.gz SPVJURIDJNVTMC-PRJVBOEPSA-N 2 1 342.531 3.254 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H](O)c1c(F)cccc1F ZINC000775411441 1303960412 /nfs/dbraw/zinc/96/04/12/1303960412.db2.gz FJPJLPMFCBIPFO-HKUYNNGSSA-N 2 1 338.442 3.241 20 0 EGADMP Cc1cc(C)[nH+]c(N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000777255901 1304276077 /nfs/dbraw/zinc/27/60/77/1304276077.db2.gz JPTYRYZFMWLCBC-IEBWSBKVSA-N 2 1 325.456 3.400 20 0 EGADMP Cc1cc(C)[nH+]c(N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000777255901 1304276085 /nfs/dbraw/zinc/27/60/85/1304276085.db2.gz JPTYRYZFMWLCBC-IEBWSBKVSA-N 2 1 325.456 3.400 20 0 EGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000779015383 1304518023 /nfs/dbraw/zinc/51/80/23/1304518023.db2.gz UTWPRJVSJCRTFW-BRWVUGGUSA-N 2 1 339.524 3.144 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](CN3C[C@@](C)(C4CCCC4)CC3=O)C2)CC1 ZINC000780438539 1304691531 /nfs/dbraw/zinc/69/15/31/1304691531.db2.gz PBKAOKODOKORKK-RXVVDRJESA-N 2 1 347.547 3.036 20 0 EGADMP C[C@H]1C[NH+](CCCCCCCCC[N@H+]2CCO[C@@H](C)C2)CCO1 ZINC000781885503 1304886577 /nfs/dbraw/zinc/88/65/77/1304886577.db2.gz QIQYOZJPKUBUIP-OALUTQOASA-N 2 1 326.525 3.159 20 0 EGADMP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC1CC[NH+](C)CC1 ZINC000891732729 1305149537 /nfs/dbraw/zinc/14/95/37/1305149537.db2.gz XKGITBLMPBDESI-UHFFFAOYSA-N 2 1 326.488 3.283 20 0 EGADMP Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000891770423 1305160100 /nfs/dbraw/zinc/16/01/00/1305160100.db2.gz JTOQSIIJRNFUMZ-IBGZPJMESA-N 2 1 326.488 3.442 20 0 EGADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cnn(C)c2C2CC2)CC1 ZINC000892607322 1305467150 /nfs/dbraw/zinc/46/71/50/1305467150.db2.gz RAHMJALANYWMGX-UHFFFAOYSA-N 2 1 338.499 3.360 20 0 EGADMP CCn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(C)n1 ZINC000893021651 1305661701 /nfs/dbraw/zinc/66/17/01/1305661701.db2.gz VVJGPKWRMKCANE-QAPCUYQASA-N 2 1 332.517 3.446 20 0 EGADMP CCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C)n1 ZINC000893021651 1305661704 /nfs/dbraw/zinc/66/17/04/1305661704.db2.gz VVJGPKWRMKCANE-QAPCUYQASA-N 2 1 332.517 3.446 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788587939 1305975398 /nfs/dbraw/zinc/97/53/98/1305975398.db2.gz KVESZERXNHOTEC-IXDOHACOSA-N 2 1 341.540 3.342 20 0 EGADMP CCC[N@@H+](CC1CCCCC1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790365320 1306309323 /nfs/dbraw/zinc/30/93/23/1306309323.db2.gz BWDYYUSKPAECAW-HXUWFJFHSA-N 2 1 349.519 3.153 20 0 EGADMP Cc1ccc(C2=NO[C@@H](C[NH2+]C3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000895499150 1309374104 /nfs/dbraw/zinc/37/41/04/1309374104.db2.gz VNRQYZWKWKXDSY-LJQANCHMSA-N 2 1 329.488 3.259 20 0 EGADMP Cn1cc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c(-c2ccncc2)n1 ZINC000895686952 1309465494 /nfs/dbraw/zinc/46/54/94/1309465494.db2.gz XCRZKVVLRQZGDH-UHFFFAOYSA-N 2 1 341.503 3.180 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000796723520 1310073077 /nfs/dbraw/zinc/07/30/77/1310073077.db2.gz FGYMLNSXCRIFCR-FQVISZRSSA-N 2 1 338.499 3.440 20 0 EGADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179709 1310499875 /nfs/dbraw/zinc/49/98/75/1310499875.db2.gz RSRZBLOYWDCABG-KRWDZBQOSA-N 2 1 343.515 3.384 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](CCC(=O)Nc3cccc(Cl)c3)C2)CC1 ZINC000799178004 1310500887 /nfs/dbraw/zinc/50/08/87/1310500887.db2.gz IOHZRLMQKXGJOA-UHFFFAOYSA-N 2 1 349.906 3.476 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccccc2-c2ccccc2)CC1(C)C ZINC000799347090 1310532292 /nfs/dbraw/zinc/53/22/92/1310532292.db2.gz WLENRJRZDVWEPF-UHFFFAOYSA-N 2 1 337.511 3.469 20 0 EGADMP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000899164583 1310961671 /nfs/dbraw/zinc/96/16/71/1310961671.db2.gz POKBUUNOUYBLIJ-RTBURBONSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857262060 1328525511 /nfs/dbraw/zinc/52/55/11/1328525511.db2.gz AQPRYIYQANBGTL-YLJYHZDGSA-N 2 1 345.531 3.346 20 0 EGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857262060 1328525512 /nfs/dbraw/zinc/52/55/12/1328525512.db2.gz AQPRYIYQANBGTL-YLJYHZDGSA-N 2 1 345.531 3.346 20 0 EGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857262060 1328525513 /nfs/dbraw/zinc/52/55/13/1328525513.db2.gz AQPRYIYQANBGTL-YLJYHZDGSA-N 2 1 345.531 3.346 20 0 EGADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857903116 1328619827 /nfs/dbraw/zinc/61/98/27/1328619827.db2.gz CITJDOWBXBRVER-MRXNPFEDSA-N 2 1 345.874 3.453 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000802377858 1317003656 /nfs/dbraw/zinc/00/36/56/1317003656.db2.gz QMNKSCWHENKESR-QGZVFWFLSA-N 2 1 348.878 3.044 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001019068893 1317031736 /nfs/dbraw/zinc/03/17/36/1317031736.db2.gz SDXJICBJLPMELN-SFHVURJKSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001019274660 1317141465 /nfs/dbraw/zinc/14/14/65/1317141465.db2.gz JRIGSECWZHVAKF-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900349540 1317279338 /nfs/dbraw/zinc/27/93/38/1317279338.db2.gz BPMSXQUMBSVWPQ-PMACEKPBSA-N 2 1 341.499 3.280 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)c1 ZINC000900650594 1317319515 /nfs/dbraw/zinc/31/95/15/1317319515.db2.gz CRFBKBWZDRKBTB-WOJBJXKFSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)c1 ZINC000900650594 1317319525 /nfs/dbraw/zinc/31/95/25/1317319525.db2.gz CRFBKBWZDRKBTB-WOJBJXKFSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)c1 ZINC000900650594 1317319535 /nfs/dbraw/zinc/31/95/35/1317319535.db2.gz CRFBKBWZDRKBTB-WOJBJXKFSA-N 2 1 343.515 3.160 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001019820650 1317440108 /nfs/dbraw/zinc/44/01/08/1317440108.db2.gz SAFYELHGGQDHMI-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957635718 1317509721 /nfs/dbraw/zinc/50/97/21/1317509721.db2.gz HWELCVLVQNGFAU-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001020144031 1317559703 /nfs/dbraw/zinc/55/97/03/1317559703.db2.gz OJDVPHQNXCARKU-UFYCRDLUSA-N 2 1 349.563 3.457 20 0 EGADMP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC1([NH3+])CC1 ZINC000902413306 1317575416 /nfs/dbraw/zinc/57/54/16/1317575416.db2.gz JWOKFXBJFTUYLN-TVQRCGJNSA-N 2 1 327.291 3.313 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cn(C)nn1 ZINC000902747512 1317612398 /nfs/dbraw/zinc/61/23/98/1317612398.db2.gz GCAGHXBBNIKALZ-IXDOHACOSA-N 2 1 341.503 3.144 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cn(C)nn1 ZINC000902747512 1317612405 /nfs/dbraw/zinc/61/24/05/1317612405.db2.gz GCAGHXBBNIKALZ-IXDOHACOSA-N 2 1 341.503 3.144 20 0 EGADMP COc1cccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[NH+](C)C)c1 ZINC000903055656 1317644257 /nfs/dbraw/zinc/64/42/57/1317644257.db2.gz IZPYKDMBPNDSLE-ZJVRTDGDSA-N 2 1 343.515 3.045 20 0 EGADMP COc1cccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)N(C)C)c1 ZINC000903055656 1317644264 /nfs/dbraw/zinc/64/42/64/1317644264.db2.gz IZPYKDMBPNDSLE-ZJVRTDGDSA-N 2 1 343.515 3.045 20 0 EGADMP COc1cccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)N(C)C)c1 ZINC000903055656 1317644271 /nfs/dbraw/zinc/64/42/71/1317644271.db2.gz IZPYKDMBPNDSLE-ZJVRTDGDSA-N 2 1 343.515 3.045 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020339903 1317651649 /nfs/dbraw/zinc/65/16/49/1317651649.db2.gz AILJBNSEFZGUSD-UFYCRDLUSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C1CC(c3ccccc3F)C1)C2 ZINC000903115052 1317656196 /nfs/dbraw/zinc/65/61/96/1317656196.db2.gz KWHURYWQZMWSTM-MRJAGOFRSA-N 2 1 346.490 3.141 20 0 EGADMP C[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)NC(=O)OC(C)(C)C ZINC000903116189 1317656306 /nfs/dbraw/zinc/65/63/06/1317656306.db2.gz LLRLHNCSRNXAOJ-YTTRVJOFSA-N 2 1 337.508 3.037 20 0 EGADMP C[C@H](O)[C@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccccc1 ZINC000903160412 1317665306 /nfs/dbraw/zinc/66/53/06/1317665306.db2.gz LRBPYIYCOIRPFM-PHASAHSISA-N 2 1 342.527 3.364 20 0 EGADMP Fc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1Br ZINC000903447099 1317700938 /nfs/dbraw/zinc/70/09/38/1317700938.db2.gz DPYHQVUCRTUAAN-UHFFFAOYSA-N 2 1 327.241 3.164 20 0 EGADMP Fc1ccc([C@H]2CCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1F ZINC000903728757 1317725701 /nfs/dbraw/zinc/72/57/01/1317725701.db2.gz GGBZMHJNGDWQON-CRAIPNDOSA-N 2 1 336.426 3.260 20 0 EGADMP c1ccc(C[C@@H]2CCCC[N@@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903727631 1317725860 /nfs/dbraw/zinc/72/58/60/1317725860.db2.gz WIRFHOCMAWMYSO-PMACEKPBSA-N 2 1 328.500 3.242 20 0 EGADMP c1c2c(oc1-c1ccccc1)C[N@@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903734675 1317727569 /nfs/dbraw/zinc/72/75/69/1317727569.db2.gz UUQBDCFGUHSIBP-WIYYLYMNSA-N 2 1 338.451 3.073 20 0 EGADMP C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903734716 1317727708 /nfs/dbraw/zinc/72/77/08/1317727708.db2.gz VERBSBRTWYOSOL-PCCBWWKXSA-N 2 1 328.500 3.100 20 0 EGADMP CC1(C)[C@H](c2ccccc2F)CC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903778184 1317731712 /nfs/dbraw/zinc/73/17/12/1317731712.db2.gz KEXMDDHYZBSPLS-OXFYSEKESA-N 2 1 332.463 3.162 20 0 EGADMP Cc1sc(NC(=O)C[NH+]2CCC(C(C)(C)C[NH3+])CC2)c(C)c1C ZINC000903790628 1317735498 /nfs/dbraw/zinc/73/54/98/1317735498.db2.gz SELLPDYYGPAGSM-UHFFFAOYSA-N 2 1 337.533 3.309 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903900106 1317745469 /nfs/dbraw/zinc/74/54/69/1317745469.db2.gz ZXZYXDVOYABBDY-XSLAUPDRSA-N 3 1 333.564 3.494 20 0 EGADMP [NH3+][C@@H](C[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)CC(F)F ZINC000903926457 1317750476 /nfs/dbraw/zinc/75/04/76/1317750476.db2.gz SHCJWKFHYSDFBL-ZIAGYGMSSA-N 2 1 349.828 3.016 20 0 EGADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903973118 1317759873 /nfs/dbraw/zinc/75/98/73/1317759873.db2.gz ORYYEHGQOANLAP-AABGKKOBSA-N 2 1 328.500 3.379 20 0 EGADMP C[N@H+]1CCCC[C@H](CNCc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000858245218 1328720692 /nfs/dbraw/zinc/72/06/92/1328720692.db2.gz DKIRRIYVMFBGEI-QGZVFWFLSA-N 2 1 346.906 3.406 20 0 EGADMP c1csc(C[C@H]2CCC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC000903987377 1317762688 /nfs/dbraw/zinc/76/26/88/1317762688.db2.gz DWVSLRCEGUBEKF-CYBMUJFWSA-N 2 1 333.526 3.305 20 0 EGADMP C[C@H](O)c1ncc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000809545109 1317828668 /nfs/dbraw/zinc/82/86/68/1317828668.db2.gz HKHPUZNDLGGDAO-HNNXBMFYSA-N 2 1 337.533 3.284 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C[C@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000904320961 1317829758 /nfs/dbraw/zinc/82/97/58/1317829758.db2.gz SDWUPRZXHIQVFB-HLAWJBBLSA-N 2 1 329.532 3.361 20 0 EGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000904406763 1317843637 /nfs/dbraw/zinc/84/36/37/1317843637.db2.gz VVGLFRILZWETND-SNVBAGLBSA-N 2 1 349.219 3.221 20 0 EGADMP CC[C@@H](C)C[C@H]([NH3+])c1nc(-c2cccc(Cn3ccnc3)c2)no1 ZINC000904558747 1317862172 /nfs/dbraw/zinc/86/21/72/1317862172.db2.gz VMSIEXHDUWBXRG-CJNGLKHVSA-N 2 1 325.416 3.417 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccccc2C[NH3+])C1 ZINC000904658362 1317876985 /nfs/dbraw/zinc/87/69/85/1317876985.db2.gz CXPMCGWKRXFXRU-OAHLLOKOSA-N 2 1 332.492 3.167 20 0 EGADMP CCc1oc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1C(=O)OC ZINC000809738130 1317885093 /nfs/dbraw/zinc/88/50/93/1317885093.db2.gz QHCWKQNFRCNNHW-UHFFFAOYSA-N 2 1 344.455 3.322 20 0 EGADMP CCc1oc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1C(=O)OC ZINC000809738130 1317885099 /nfs/dbraw/zinc/88/50/99/1317885099.db2.gz QHCWKQNFRCNNHW-UHFFFAOYSA-N 2 1 344.455 3.322 20 0 EGADMP C[N@@H+](Cc1cc(Cl)cs1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741680 1317886398 /nfs/dbraw/zinc/88/63/98/1317886398.db2.gz RZGHHSHIWQHVGZ-OAHLLOKOSA-N 2 1 327.925 3.002 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@](C)(O)C(F)F ZINC000905044481 1317916506 /nfs/dbraw/zinc/91/65/06/1317916506.db2.gz COXLPYDXYXSTQN-KBXCAEBGSA-N 2 1 326.431 3.167 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000810131227 1317959188 /nfs/dbraw/zinc/95/91/88/1317959188.db2.gz BPPOJOUZIKRLIF-OAHLLOKOSA-N 2 1 326.444 3.059 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1)c1ccccc1 ZINC001021094699 1318079572 /nfs/dbraw/zinc/07/95/72/1318079572.db2.gz YPFMMOCRYOURDG-MUGJNUQGSA-N 2 1 343.515 3.249 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000960096706 1318353099 /nfs/dbraw/zinc/35/30/99/1318353099.db2.gz LDROPXSJCACHJY-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC000908492907 1318353784 /nfs/dbraw/zinc/35/37/84/1318353784.db2.gz KNDROWRMSNBCAW-MRXNPFEDSA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021605789 1318452474 /nfs/dbraw/zinc/45/24/74/1318452474.db2.gz NMNHOHAMBXURKX-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021605789 1318452477 /nfs/dbraw/zinc/45/24/77/1318452477.db2.gz NMNHOHAMBXURKX-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021605789 1318452482 /nfs/dbraw/zinc/45/24/82/1318452482.db2.gz NMNHOHAMBXURKX-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670619 1318534990 /nfs/dbraw/zinc/53/49/90/1318534990.db2.gz NEIDDPKELGOBHI-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021670619 1318534996 /nfs/dbraw/zinc/53/49/96/1318534996.db2.gz NEIDDPKELGOBHI-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021670619 1318535001 /nfs/dbraw/zinc/53/50/01/1318535001.db2.gz NEIDDPKELGOBHI-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813880238 1318650709 /nfs/dbraw/zinc/65/07/09/1318650709.db2.gz DHGGJKGUVXHFBN-HLKUOHOZSA-N 2 1 328.500 3.321 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCCC1 ZINC000960629039 1318756431 /nfs/dbraw/zinc/75/64/31/1318756431.db2.gz PSHJYVHPLOCANV-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCC1 ZINC000960629039 1318756435 /nfs/dbraw/zinc/75/64/35/1318756435.db2.gz PSHJYVHPLOCANV-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCC1 ZINC000960629039 1318756439 /nfs/dbraw/zinc/75/64/39/1318756439.db2.gz PSHJYVHPLOCANV-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCC1 ZINC000960720484 1318829574 /nfs/dbraw/zinc/82/95/74/1318829574.db2.gz UTWKRCOLXUFBBC-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC000960720484 1318829582 /nfs/dbraw/zinc/82/95/82/1318829582.db2.gz UTWKRCOLXUFBBC-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC000960720484 1318829588 /nfs/dbraw/zinc/82/95/88/1318829588.db2.gz UTWKRCOLXUFBBC-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001022200976 1318839125 /nfs/dbraw/zinc/83/91/25/1318839125.db2.gz BTLRUFJQPXRFOO-HSALFYBXSA-N 2 1 347.547 3.377 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022200997 1318839672 /nfs/dbraw/zinc/83/96/72/1318839672.db2.gz CATVNTDSSXTVLP-HSALFYBXSA-N 2 1 349.563 3.457 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001022202454 1318840981 /nfs/dbraw/zinc/84/09/81/1318840981.db2.gz ZDXLHNDKJUOTJQ-CEXWTWQISA-N 2 1 335.536 3.066 20 0 EGADMP C[N@@H+](C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1)CC1CCCCCC1 ZINC000960979144 1319112589 /nfs/dbraw/zinc/11/25/89/1319112589.db2.gz OURBHIPKHRNFQT-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1)CC1CCCCCC1 ZINC000960979144 1319112590 /nfs/dbraw/zinc/11/25/90/1319112590.db2.gz OURBHIPKHRNFQT-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1)CC1CCCCCC1 ZINC000960979144 1319112596 /nfs/dbraw/zinc/11/25/96/1319112596.db2.gz OURBHIPKHRNFQT-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001022838399 1319132456 /nfs/dbraw/zinc/13/24/56/1319132456.db2.gz MUAOQQUTKOJGDC-ZGXWSNOMSA-N 2 1 347.547 3.211 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000961031124 1319153985 /nfs/dbraw/zinc/15/39/85/1319153985.db2.gz IYMNMGMNYIJLPY-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC000961031124 1319153990 /nfs/dbraw/zinc/15/39/90/1319153990.db2.gz IYMNMGMNYIJLPY-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC000961031124 1319153994 /nfs/dbraw/zinc/15/39/94/1319153994.db2.gz IYMNMGMNYIJLPY-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001022958827 1319189083 /nfs/dbraw/zinc/18/90/83/1319189083.db2.gz WXQDSKNRESLVFM-FGTMMUONSA-N 2 1 349.544 3.140 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001023125522 1319273768 /nfs/dbraw/zinc/27/37/68/1319273768.db2.gz RZMLZXAFGSLRBV-AMBYYYRHSA-N 2 1 349.563 3.312 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001023130970 1319275138 /nfs/dbraw/zinc/27/51/38/1319275138.db2.gz PZVQNZNCOAHMAT-CEXWTWQISA-N 2 1 335.536 3.068 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000817906054 1319456657 /nfs/dbraw/zinc/45/66/57/1319456657.db2.gz SKDRIOJHGNAIIX-JCURWCKSSA-N 2 1 336.838 3.061 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950295 1319474672 /nfs/dbraw/zinc/47/46/72/1319474672.db2.gz YEIBLXJKWJXANI-GCJKJVERSA-N 3 1 337.511 3.188 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950295 1319474676 /nfs/dbraw/zinc/47/46/76/1319474676.db2.gz YEIBLXJKWJXANI-GCJKJVERSA-N 2 1 337.511 3.188 20 0 EGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000817957681 1319476410 /nfs/dbraw/zinc/47/64/10/1319476410.db2.gz DQFSVVXZYZFGMX-KDOFPFPSSA-N 2 1 331.460 3.201 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023365282 1319476951 /nfs/dbraw/zinc/47/69/51/1319476951.db2.gz BHNKVFGLZGMWJU-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001023365282 1319476956 /nfs/dbraw/zinc/47/69/56/1319476956.db2.gz BHNKVFGLZGMWJU-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001023365282 1319476962 /nfs/dbraw/zinc/47/69/62/1319476962.db2.gz BHNKVFGLZGMWJU-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817981224 1319484412 /nfs/dbraw/zinc/48/44/12/1319484412.db2.gz HPPROPNKFMGWSY-KBXCAEBGSA-N 2 1 331.460 3.201 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961343985 1319498198 /nfs/dbraw/zinc/49/81/98/1319498198.db2.gz YXTNWVYIAUBZQR-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961343985 1319498202 /nfs/dbraw/zinc/49/82/02/1319498202.db2.gz YXTNWVYIAUBZQR-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000961343985 1319498209 /nfs/dbraw/zinc/49/82/09/1319498209.db2.gz YXTNWVYIAUBZQR-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023414246 1319519431 /nfs/dbraw/zinc/51/94/31/1319519431.db2.gz ONORYYPIFLCBIH-ROUUACIJSA-N 2 1 346.519 3.025 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023414246 1319519436 /nfs/dbraw/zinc/51/94/36/1319519436.db2.gz ONORYYPIFLCBIH-ROUUACIJSA-N 2 1 346.519 3.025 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961363900 1319519980 /nfs/dbraw/zinc/51/99/80/1319519980.db2.gz CDJIEYGXHOHBJS-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000961363900 1319519989 /nfs/dbraw/zinc/51/99/89/1319519989.db2.gz CDJIEYGXHOHBJS-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000961363900 1319519997 /nfs/dbraw/zinc/51/99/97/1319519997.db2.gz CDJIEYGXHOHBJS-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023449931 1319552306 /nfs/dbraw/zinc/55/23/06/1319552306.db2.gz BVBLZJWVOPKYOA-IBGZPJMESA-N 2 1 349.563 3.127 20 0 EGADMP Cc1c(C(=O)NC[C@@H]2CCC[N@H+](CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001023450976 1319553574 /nfs/dbraw/zinc/55/35/74/1319553574.db2.gz BTAXSYXBNCRKHH-KRWDZBQOSA-N 2 1 342.487 3.131 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023469523 1319567051 /nfs/dbraw/zinc/56/70/51/1319567051.db2.gz GYCKOBXWHUTUKT-MRXNPFEDSA-N 2 1 342.487 3.212 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000818967107 1319594561 /nfs/dbraw/zinc/59/45/61/1319594561.db2.gz WXDPHIDXTCJRFL-WBMJQRKESA-N 2 1 341.377 3.170 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000818967100 1319595164 /nfs/dbraw/zinc/59/51/64/1319595164.db2.gz WXDPHIDXTCJRFL-BLLLJJGKSA-N 2 1 341.377 3.170 20 0 EGADMP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000818971657 1319599315 /nfs/dbraw/zinc/59/93/15/1319599315.db2.gz AKLWWOZFLHUHIJ-BZNIZROVSA-N 2 1 329.271 3.101 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000818979894 1319602344 /nfs/dbraw/zinc/60/23/44/1319602344.db2.gz CWKFNAWCDKELBB-XJKSGUPXSA-N 2 1 330.394 3.060 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000819101409 1319635007 /nfs/dbraw/zinc/63/50/07/1319635007.db2.gz SYAYCEQOFXPGOE-INIZCTEOSA-N 2 1 341.377 3.314 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+](CC3=CCCCC3)C2)CC[N@H+]1C ZINC001023555545 1319666572 /nfs/dbraw/zinc/66/65/72/1319666572.db2.gz WWVKYBCJAJTWMU-IHPCNDPISA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CC3=CCCCC3)C2)CC[NH+]1C ZINC001023555545 1319666578 /nfs/dbraw/zinc/66/65/78/1319666578.db2.gz WWVKYBCJAJTWMU-IHPCNDPISA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CC3=CCCCC3)C2)CC[NH+]1C ZINC001023555545 1319666587 /nfs/dbraw/zinc/66/65/87/1319666587.db2.gz WWVKYBCJAJTWMU-IHPCNDPISA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001023572612 1319687115 /nfs/dbraw/zinc/68/71/15/1319687115.db2.gz IZWRNPHXQSJVFR-IBGZPJMESA-N 2 1 349.563 3.127 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001023761983 1319907362 /nfs/dbraw/zinc/90/73/62/1319907362.db2.gz OHJICSZAJLZWEQ-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001023761983 1319907373 /nfs/dbraw/zinc/90/73/73/1319907373.db2.gz OHJICSZAJLZWEQ-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001023761983 1319907387 /nfs/dbraw/zinc/90/73/87/1319907387.db2.gz OHJICSZAJLZWEQ-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+](CC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000822766443 1320121814 /nfs/dbraw/zinc/12/18/14/1320121814.db2.gz RNQCIDVTNSARRI-OAHLLOKOSA-N 2 1 348.362 3.061 20 0 EGADMP C[C@@H]1C[C@@H](NCc2cc(C3CC3)nn2C)CC[N@H+]1Cc1ccccc1 ZINC000823966679 1320218778 /nfs/dbraw/zinc/21/87/78/1320218778.db2.gz ZOUPRWKTIQBTSM-APWZRJJASA-N 2 1 338.499 3.440 20 0 EGADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(C[NH+]2CCCCC2)o1 ZINC000824366001 1320251432 /nfs/dbraw/zinc/25/14/32/1320251432.db2.gz GIGWUILISPWYTQ-QZTJIDSGSA-N 2 1 345.487 3.012 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(O[C@H]4CCOC4)cc3)C2)CC1 ZINC000825762207 1320361233 /nfs/dbraw/zinc/36/12/33/1320361233.db2.gz DXUFCIQPELVHPW-FQEVSTJZSA-N 2 1 344.499 3.162 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(N2CCCCC2=O)cc1 ZINC000839108803 1320871979 /nfs/dbraw/zinc/87/19/79/1320871979.db2.gz MHTRVRYQFMBVHB-INIZCTEOSA-N 2 1 341.499 3.481 20 0 EGADMP CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OC(=O)CC ZINC000840950026 1321184681 /nfs/dbraw/zinc/18/46/81/1321184681.db2.gz DRFHTWFQVCYGSL-ALOPSCKCSA-N 2 1 346.471 3.116 20 0 EGADMP CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC(=O)CC ZINC000840950026 1321184685 /nfs/dbraw/zinc/18/46/85/1321184685.db2.gz DRFHTWFQVCYGSL-ALOPSCKCSA-N 2 1 346.471 3.116 20 0 EGADMP C[N@@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000841690453 1321298102 /nfs/dbraw/zinc/29/81/02/1321298102.db2.gz VUXFRRBUJUCUAJ-HLIPFELVSA-N 2 1 349.519 3.007 20 0 EGADMP C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214834 1328948178 /nfs/dbraw/zinc/94/81/78/1328948178.db2.gz PCHZZYMWUVLHFU-FXAWDEMLSA-N 2 1 345.531 3.217 20 0 EGADMP C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214834 1328948184 /nfs/dbraw/zinc/94/81/84/1328948184.db2.gz PCHZZYMWUVLHFU-FXAWDEMLSA-N 2 1 345.531 3.217 20 0 EGADMP [NH3+]CCCCCCC[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000842472125 1321392369 /nfs/dbraw/zinc/39/23/69/1321392369.db2.gz RRCPETBXMZIJFA-UHFFFAOYSA-N 2 1 333.476 3.102 20 0 EGADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000842472286 1321392424 /nfs/dbraw/zinc/39/24/24/1321392424.db2.gz WAGSLGWCGGVBTH-LJQANCHMSA-N 2 1 331.504 3.180 20 0 EGADMP COc1ccc([C@H](CC(C)C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000842838428 1321440022 /nfs/dbraw/zinc/44/00/22/1321440022.db2.gz OBDPLMJYLPBSBJ-RLLQIKCJSA-N 2 1 332.488 3.235 20 0 EGADMP COc1ccc([C@H](CC(C)C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000842838428 1321440027 /nfs/dbraw/zinc/44/00/27/1321440027.db2.gz OBDPLMJYLPBSBJ-RLLQIKCJSA-N 2 1 332.488 3.235 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843055608 1321462959 /nfs/dbraw/zinc/46/29/59/1321462959.db2.gz HUHKTLUPVNHFKD-UHFFFAOYSA-N 2 1 330.451 3.330 20 0 EGADMP COc1c(Br)cccc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843054669 1321463411 /nfs/dbraw/zinc/46/34/11/1321463411.db2.gz AKNJECZRXBHFFU-UHFFFAOYSA-N 2 1 327.266 3.159 20 0 EGADMP O[C@@H](C[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000843064511 1321464548 /nfs/dbraw/zinc/46/45/48/1321464548.db2.gz GZHHYVMMUVXINQ-MJGOQNOKSA-N 2 1 330.497 3.283 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000843128049 1321474120 /nfs/dbraw/zinc/47/41/20/1321474120.db2.gz HHBHYGQDVNRXGZ-UONOGXRCSA-N 2 1 334.895 3.417 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H](C[NH3+])C3)c2cc1C(C)C ZINC000843347778 1321503616 /nfs/dbraw/zinc/50/36/16/1321503616.db2.gz LUTPOQZJBSGOLF-OAHLLOKOSA-N 2 1 328.456 3.396 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H](C[NH3+])C3)c2cc1C(C)C ZINC000843347778 1321503618 /nfs/dbraw/zinc/50/36/18/1321503618.db2.gz LUTPOQZJBSGOLF-OAHLLOKOSA-N 2 1 328.456 3.396 20 0 EGADMP CC[C@H](C)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000843368269 1321508173 /nfs/dbraw/zinc/50/81/73/1321508173.db2.gz MUKKEFRAJIYWLR-OYSPMZIOSA-N 2 1 329.488 3.198 20 0 EGADMP CC[C@H](C)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000843368269 1321508177 /nfs/dbraw/zinc/50/81/77/1321508177.db2.gz MUKKEFRAJIYWLR-OYSPMZIOSA-N 2 1 329.488 3.198 20 0 EGADMP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843378287 1321508626 /nfs/dbraw/zinc/50/86/26/1321508626.db2.gz ZGQUBHCDMXQBFR-HOTGVXAUSA-N 2 1 325.456 3.228 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000846222618 1321777302 /nfs/dbraw/zinc/77/73/02/1321777302.db2.gz WKGTUIQRGCVZCT-OAQYLSRUSA-N 3 1 329.532 3.494 20 0 EGADMP [NH3+]CCCCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000846222618 1321777306 /nfs/dbraw/zinc/77/73/06/1321777306.db2.gz WKGTUIQRGCVZCT-OAQYLSRUSA-N 3 1 329.532 3.494 20 0 EGADMP [NH3+]CCCCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000846222618 1321777308 /nfs/dbraw/zinc/77/73/08/1321777308.db2.gz WKGTUIQRGCVZCT-OAQYLSRUSA-N 3 1 329.532 3.494 20 0 EGADMP [NH3+]CCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000846222618 1321777312 /nfs/dbraw/zinc/77/73/12/1321777312.db2.gz WKGTUIQRGCVZCT-OAQYLSRUSA-N 2 1 329.532 3.494 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000846222618 1321777314 /nfs/dbraw/zinc/77/73/14/1321777314.db2.gz WKGTUIQRGCVZCT-OAQYLSRUSA-N 2 1 329.532 3.494 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)[C@@H]1CC[NH3+] ZINC000846226639 1321778238 /nfs/dbraw/zinc/77/82/38/1321778238.db2.gz SDGYUBXQJUSWPM-AUUYWEPGSA-N 2 1 340.467 3.231 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(Cl)nc(Cl)c3)C2)C1 ZINC000846225951 1321778415 /nfs/dbraw/zinc/77/84/15/1321778415.db2.gz RVSCMABFBZDLJL-MJBXVCDLSA-N 2 1 344.286 3.107 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)nc(Cl)c3)C2)C1 ZINC000846225951 1321778420 /nfs/dbraw/zinc/77/84/20/1321778420.db2.gz RVSCMABFBZDLJL-MJBXVCDLSA-N 2 1 344.286 3.107 20 0 EGADMP c1ccc(C[NH+]2CCC3(CC[NH+](CCN4CCCC4)CC3)CC2)cc1 ZINC000930868264 1328992597 /nfs/dbraw/zinc/99/25/97/1328992597.db2.gz PBZZQBYNTLMSKG-UHFFFAOYSA-N 2 1 341.543 3.460 20 0 EGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000848541324 1321972699 /nfs/dbraw/zinc/97/26/99/1321972699.db2.gz WVEOHTYPFODUFP-QUCCMNQESA-N 2 1 326.488 3.452 20 0 EGADMP C[C@@H]1C[C@@H](CCNC(=[NH2+])N2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000848989286 1322056493 /nfs/dbraw/zinc/05/64/93/1322056493.db2.gz LIIWUAWQXOMWTQ-IEBWSBKVSA-N 2 1 328.504 3.297 20 0 EGADMP C[C@H]1C[C@@H](CCNC(=[NH2+])Nc2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000848989831 1322056996 /nfs/dbraw/zinc/05/69/96/1322056996.db2.gz DVCVZSGGGWNKDH-FUHWJXTLSA-N 2 1 337.471 3.319 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCc1ccc(Cl)s1 ZINC000849002026 1322057488 /nfs/dbraw/zinc/05/74/88/1322057488.db2.gz HIVTVKCNZIJFAY-ZDUSSCGKSA-N 2 1 342.940 3.322 20 0 EGADMP Cc1ccc(CNC(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000849053511 1322060071 /nfs/dbraw/zinc/06/00/71/1322060071.db2.gz PYJFCQARYYKCLK-KRWDZBQOSA-N 2 1 326.444 3.039 20 0 EGADMP CCOC(=O)NC1CCC([NH2+]CCC[N@@H+](C)C2CCCCC2)CC1 ZINC000850425348 1322246213 /nfs/dbraw/zinc/24/62/13/1322246213.db2.gz QBANLDMLENHFOY-UHFFFAOYSA-N 2 1 339.524 3.288 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850464352 1322253365 /nfs/dbraw/zinc/25/33/65/1322253365.db2.gz GHHWKRLAWYLFNA-IAGOWNOFSA-N 2 1 332.488 3.163 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000930962728 1329016517 /nfs/dbraw/zinc/01/65/17/1329016517.db2.gz UBGOAQBHBMQTJG-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921624608 1322365267 /nfs/dbraw/zinc/36/52/67/1322365267.db2.gz KTAYMYAAMIQOMZ-BBWFWOEESA-N 2 1 339.524 3.001 20 0 EGADMP Cn1ccnc1C[C@@H](NCc1cccc2c1OCC2)c1ccccc1 ZINC000921797513 1322399259 /nfs/dbraw/zinc/39/92/59/1322399259.db2.gz DPRLGQYTOPWVBU-LJQANCHMSA-N 2 1 333.435 3.429 20 0 EGADMP CCCc1cccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000922386608 1322514884 /nfs/dbraw/zinc/51/48/84/1322514884.db2.gz GSDGILFFXQDZPY-NCYKPQTJSA-N 2 1 330.516 3.208 20 0 EGADMP CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923325653 1322734996 /nfs/dbraw/zinc/73/49/96/1322734996.db2.gz FJHGAVJQHIUDBK-VTHDOGFWSA-N 2 1 327.516 3.113 20 0 EGADMP O[C@H](C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1C(F)(F)F ZINC000923362491 1322740841 /nfs/dbraw/zinc/74/08/41/1322740841.db2.gz NMTNSTBQRCVSBE-JJRVBVJISA-N 2 1 342.405 3.060 20 0 EGADMP O=C(CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000923520986 1322768824 /nfs/dbraw/zinc/76/88/24/1322768824.db2.gz XIYRKPGHCGXJTI-RBUKOAKNSA-N 2 1 349.478 3.224 20 0 EGADMP CCC[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ncccc1Cl ZINC000924656978 1323097168 /nfs/dbraw/zinc/09/71/68/1323097168.db2.gz DXXDLJKIKYZUSK-QGZVFWFLSA-N 2 1 338.927 3.193 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001024047438 1323097271 /nfs/dbraw/zinc/09/72/71/1323097271.db2.gz SVGNGIDIMAHBOP-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cnnn1C ZINC000924695809 1323117349 /nfs/dbraw/zinc/11/73/49/1323117349.db2.gz SYIHJKGSDLWGFR-BRWVUGGUSA-N 2 1 341.503 3.144 20 0 EGADMP CC1(C)OC[C@H](CC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)O1 ZINC000852039637 1323137276 /nfs/dbraw/zinc/13/72/76/1323137276.db2.gz HJOQLFTWYWHIOD-PZJWPPBQSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@H](CC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)O1 ZINC000852039637 1323137281 /nfs/dbraw/zinc/13/72/81/1323137281.db2.gz HJOQLFTWYWHIOD-PZJWPPBQSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@H](CC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)O1 ZINC000852039637 1323137287 /nfs/dbraw/zinc/13/72/87/1323137287.db2.gz HJOQLFTWYWHIOD-PZJWPPBQSA-N 2 1 344.499 3.126 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)c1cnnn1C ZINC000924731529 1323137809 /nfs/dbraw/zinc/13/78/09/1323137809.db2.gz VBDASNRNRIXRTA-INIZCTEOSA-N 2 1 341.503 3.430 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc2ccccc2[nH]1 ZINC000925057957 1323259960 /nfs/dbraw/zinc/25/99/60/1323259960.db2.gz WCASIXOFPVHHTE-QAPCUYQASA-N 2 1 327.472 3.462 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+]C[C@@H](O)c2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000853104796 1323282714 /nfs/dbraw/zinc/28/27/14/1323282714.db2.gz XNLBHWBGXJZQKP-SLYNCCJLSA-N 2 1 339.483 3.005 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024513418 1323463035 /nfs/dbraw/zinc/46/30/35/1323463035.db2.gz PQFKJQIWUMSZQF-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024513418 1323463037 /nfs/dbraw/zinc/46/30/37/1323463037.db2.gz PQFKJQIWUMSZQF-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001024513418 1323463039 /nfs/dbraw/zinc/46/30/39/1323463039.db2.gz PQFKJQIWUMSZQF-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001024513418 1323463043 /nfs/dbraw/zinc/46/30/43/1323463043.db2.gz PQFKJQIWUMSZQF-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024617071 1323546156 /nfs/dbraw/zinc/54/61/56/1323546156.db2.gz AVJFPNVKAPLSED-RBUKOAKNSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617071 1323546164 /nfs/dbraw/zinc/54/61/64/1323546164.db2.gz AVJFPNVKAPLSED-RBUKOAKNSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617071 1323546173 /nfs/dbraw/zinc/54/61/73/1323546173.db2.gz AVJFPNVKAPLSED-RBUKOAKNSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2CCCCC2)CC[N@H+]1C ZINC001024620072 1323547451 /nfs/dbraw/zinc/54/74/51/1323547451.db2.gz MWQHPHHJGDTRGJ-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CCCCC2)CC[NH+]1C ZINC001024620072 1323547455 /nfs/dbraw/zinc/54/74/55/1323547455.db2.gz MWQHPHHJGDTRGJ-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC2CCCCC2)CC[NH+]1C ZINC001024620072 1323547460 /nfs/dbraw/zinc/54/74/60/1323547460.db2.gz MWQHPHHJGDTRGJ-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814983 1323717906 /nfs/dbraw/zinc/71/79/06/1323717906.db2.gz ZFJALNSILRWSDH-IEBWSBKVSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024963897 1323802975 /nfs/dbraw/zinc/80/29/75/1323802975.db2.gz YWSXACXQZMZOHK-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001024979889 1323811924 /nfs/dbraw/zinc/81/19/24/1323811924.db2.gz ZMFFLGBDNPMISJ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001024979891 1323812127 /nfs/dbraw/zinc/81/21/27/1323812127.db2.gz ZMFFLGBDNPMISJ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001025084757 1323886107 /nfs/dbraw/zinc/88/61/07/1323886107.db2.gz GWCJDMGOEDQJGM-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001025160054 1323930678 /nfs/dbraw/zinc/93/06/78/1323930678.db2.gz WNFRGMKNKQRSLN-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240694 1324035194 /nfs/dbraw/zinc/03/51/94/1324035194.db2.gz QLPGRDISMFXEDK-MOPGFXCFSA-N 2 1 347.547 3.282 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+]1CCC(C)C ZINC001025251750 1324055474 /nfs/dbraw/zinc/05/54/74/1324055474.db2.gz KJJDAUJXFXQNFL-OALUTQOASA-N 2 1 346.519 3.083 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CCC(C)C ZINC001025251750 1324055482 /nfs/dbraw/zinc/05/54/82/1324055482.db2.gz KJJDAUJXFXQNFL-OALUTQOASA-N 2 1 346.519 3.083 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253891 1324060518 /nfs/dbraw/zinc/06/05/18/1324060518.db2.gz XZLVBRUBFWXNKK-RBUKOAKNSA-N 2 1 344.503 3.003 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253891 1324060523 /nfs/dbraw/zinc/06/05/23/1324060523.db2.gz XZLVBRUBFWXNKK-RBUKOAKNSA-N 2 1 344.503 3.003 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300971 1324134010 /nfs/dbraw/zinc/13/40/10/1324134010.db2.gz GQDVGKQXSMNKHV-RTBURBONSA-N 2 1 335.536 3.118 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025527032 1324371550 /nfs/dbraw/zinc/37/15/50/1324371550.db2.gz DEJZFMBCXMPWME-XLIONFOSSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC001025584527 1324425916 /nfs/dbraw/zinc/42/59/16/1324425916.db2.gz IRXDGAJPTSIQBG-PXNSSMCTSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586079 1324427366 /nfs/dbraw/zinc/42/73/66/1324427366.db2.gz VUGRMILCSFXKNZ-ICSRJNTNSA-N 2 1 349.563 3.290 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025585284 1324427743 /nfs/dbraw/zinc/42/77/43/1324427743.db2.gz NXHHATIDWYAAAE-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001026515690 1324861681 /nfs/dbraw/zinc/86/16/81/1324861681.db2.gz GIQUPPCVPZWHFP-CTWPCTMYSA-N 2 1 335.536 3.068 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001026610608 1324931613 /nfs/dbraw/zinc/93/16/13/1324931613.db2.gz OHPGXWUJUMWDPJ-ACBHZAAOSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026839692 1325041822 /nfs/dbraw/zinc/04/18/22/1325041822.db2.gz DXQMRYPQZXRFSM-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCC(C)C)CC2)C1 ZINC000925226644 1325088133 /nfs/dbraw/zinc/08/81/33/1325088133.db2.gz PXSQAVGSSSPMSQ-FGSXEWAUSA-N 2 1 328.566 3.166 20 0 EGADMP COc1ccc([C@H](CCO)[NH2+]C2CC[NH+](CCC(C)C)CC2)cc1 ZINC000925286499 1325114811 /nfs/dbraw/zinc/11/48/11/1325114811.db2.gz JJCSEGSPBUJKBV-FQEVSTJZSA-N 2 1 334.504 3.219 20 0 EGADMP CC(=O)N[C@@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000925308853 1325120420 /nfs/dbraw/zinc/12/04/20/1325120420.db2.gz SPNUYRNTPHTKQH-AUUYWEPGSA-N 2 1 349.494 3.244 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000963351376 1325144079 /nfs/dbraw/zinc/14/40/79/1325144079.db2.gz HKOUVDKVAXYVDS-FUHWJXTLSA-N 2 1 347.503 3.068 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000963380820 1325181922 /nfs/dbraw/zinc/18/19/22/1325181922.db2.gz XFPUDOCUYXRXDZ-WOJBJXKFSA-N 2 1 343.515 3.085 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000963380819 1325182769 /nfs/dbraw/zinc/18/27/69/1325182769.db2.gz XFPUDOCUYXRXDZ-VQTJNVASSA-N 2 1 343.515 3.085 20 0 EGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)C12CCC2 ZINC000925546016 1325201543 /nfs/dbraw/zinc/20/15/43/1325201543.db2.gz IJVWYNBCKLMYSQ-DLBZAZTESA-N 2 1 327.403 3.373 20 0 EGADMP c1ccc(C[NH+]2CCC(CN[C@@H]3CC[NH2+]C34CCCC4)CC2)cc1 ZINC000925564907 1325211622 /nfs/dbraw/zinc/21/16/22/1325211622.db2.gz MUTSYDFCZWHHRD-HXUWFJFHSA-N 2 1 327.516 3.163 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c(N2CCCC2)n1 ZINC000925610999 1325229454 /nfs/dbraw/zinc/22/94/54/1325229454.db2.gz KIZORTWJRAHSIR-VQTJNVASSA-N 2 1 342.531 3.248 20 0 EGADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC000964185189 1325486026 /nfs/dbraw/zinc/48/60/26/1325486026.db2.gz MOCFYRLSENIXCC-IVMQYODDSA-N 2 1 349.563 3.124 20 0 EGADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCC([NH2+]CC2CCCCCC2)CC1 ZINC000964377136 1325496849 /nfs/dbraw/zinc/49/68/49/1325496849.db2.gz ARVVQSWBPAIUDM-XEVCZEQESA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000926287430 1325504394 /nfs/dbraw/zinc/50/43/94/1325504394.db2.gz NZTWSTUGJZDIJV-DLBZAZTESA-N 2 1 343.471 3.493 20 0 EGADMP C[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000926287430 1325504400 /nfs/dbraw/zinc/50/44/00/1325504400.db2.gz NZTWSTUGJZDIJV-DLBZAZTESA-N 2 1 343.471 3.493 20 0 EGADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857090310 1325572209 /nfs/dbraw/zinc/57/22/09/1325572209.db2.gz PTYWMINMIAVGKJ-WOJBJXKFSA-N 2 1 343.515 3.098 20 0 EGADMP CN(C)c1cc(NC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)cc[nH+]1 ZINC000857146170 1325581808 /nfs/dbraw/zinc/58/18/08/1325581808.db2.gz MMGUYRZDWYQPAF-QGZVFWFLSA-N 2 1 338.455 3.209 20 0 EGADMP CN(C)c1cc(NC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)cc[nH+]1 ZINC000857146170 1325581819 /nfs/dbraw/zinc/58/18/19/1325581819.db2.gz MMGUYRZDWYQPAF-QGZVFWFLSA-N 2 1 338.455 3.209 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H](COC(N)=O)Cc2ccccc2)CC1 ZINC000926582803 1327624051 /nfs/dbraw/zinc/62/40/51/1327624051.db2.gz LUYNHYAZOZORKZ-LJQANCHMSA-N 2 1 347.503 3.207 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1cccc(C[NH+](C)C)c1 ZINC000926583531 1327624659 /nfs/dbraw/zinc/62/46/59/1327624659.db2.gz QXLVRVBAOYNFBA-OAHLLOKOSA-N 2 1 346.496 3.003 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCC2CCCC2)C1 ZINC001027410502 1327636536 /nfs/dbraw/zinc/63/65/36/1327636536.db2.gz XWBQPACMUIADKP-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027410502 1327636541 /nfs/dbraw/zinc/63/65/41/1327636541.db2.gz XWBQPACMUIADKP-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027410502 1327636545 /nfs/dbraw/zinc/63/65/45/1327636545.db2.gz XWBQPACMUIADKP-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411119 1327637618 /nfs/dbraw/zinc/63/76/18/1327637618.db2.gz MRQQSOBHVRHUHU-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001027411119 1327637621 /nfs/dbraw/zinc/63/76/21/1327637621.db2.gz MRQQSOBHVRHUHU-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001027411119 1327637630 /nfs/dbraw/zinc/63/76/30/1327637630.db2.gz MRQQSOBHVRHUHU-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027433595 1327673234 /nfs/dbraw/zinc/67/32/34/1327673234.db2.gz BQXMJELFFPNYRD-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027433595 1327673245 /nfs/dbraw/zinc/67/32/45/1327673245.db2.gz BQXMJELFFPNYRD-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027433595 1327673255 /nfs/dbraw/zinc/67/32/55/1327673255.db2.gz BQXMJELFFPNYRD-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCCC2)C1)[NH+](C)C ZINC001027459835 1327704298 /nfs/dbraw/zinc/70/42/98/1327704298.db2.gz CUPNIOBJBPXTBK-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP C[N@@H+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027477971 1327733337 /nfs/dbraw/zinc/73/33/37/1327733337.db2.gz OBHDONFKYAXPGH-LJQANCHMSA-N 2 1 345.531 3.038 20 0 EGADMP Fc1cccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCC2)c1 ZINC000926923561 1327778377 /nfs/dbraw/zinc/77/83/77/1327778377.db2.gz RSXYYDRTPXSQPP-LJQANCHMSA-N 2 1 332.463 3.090 20 0 EGADMP C[N@@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027521033 1327791399 /nfs/dbraw/zinc/79/13/99/1327791399.db2.gz VWLVRFDYCBEVNY-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C)cc2C)C1)[NH+](C)C ZINC001027578676 1327912699 /nfs/dbraw/zinc/91/26/99/1327912699.db2.gz QOPITVZLDGGTAP-UXHICEINSA-N 2 1 345.531 3.066 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH+](C)CCC2CCCCC2)C1 ZINC001027576764 1327913244 /nfs/dbraw/zinc/91/32/44/1327913244.db2.gz WHFGWXVRASZJJM-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCCC2)C1 ZINC001027576764 1327913252 /nfs/dbraw/zinc/91/32/52/1327913252.db2.gz WHFGWXVRASZJJM-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC001027576764 1327913261 /nfs/dbraw/zinc/91/32/61/1327913261.db2.gz WHFGWXVRASZJJM-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CCC2CCCC2)C1 ZINC001027695368 1328103179 /nfs/dbraw/zinc/10/31/79/1328103179.db2.gz RZQYUVPUHYKLPH-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027695368 1328103196 /nfs/dbraw/zinc/10/31/96/1328103196.db2.gz RZQYUVPUHYKLPH-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027695368 1328103202 /nfs/dbraw/zinc/10/32/02/1328103202.db2.gz RZQYUVPUHYKLPH-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)CC(C)C)C2)o1 ZINC001027700220 1328115341 /nfs/dbraw/zinc/11/53/41/1328115341.db2.gz SCNWVILXQFHLFF-KRWDZBQOSA-N 2 1 349.519 3.314 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CCC1=CCCCC1)C12CCC[NH+]1CCC2 ZINC001027992548 1328459199 /nfs/dbraw/zinc/45/91/99/1328459199.db2.gz CGOPPKKOKKDCGX-LJQANCHMSA-N 2 1 345.531 3.086 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028004249 1328466720 /nfs/dbraw/zinc/46/67/20/1328466720.db2.gz WQRSUNKQQNWFDR-APWZRJJASA-N 2 1 348.450 3.290 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH+](C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000862481900 1329489541 /nfs/dbraw/zinc/48/95/41/1329489541.db2.gz APACTFOIBBWTRT-HLAWJBBLSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@H+](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000862481900 1329489542 /nfs/dbraw/zinc/48/95/42/1329489542.db2.gz APACTFOIBBWTRT-HLAWJBBLSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@@H+](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000862481900 1329489544 /nfs/dbraw/zinc/48/95/44/1329489544.db2.gz APACTFOIBBWTRT-HLAWJBBLSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CN(Cc2ccccc2)C1 ZINC000862481900 1329489545 /nfs/dbraw/zinc/48/95/45/1329489545.db2.gz APACTFOIBBWTRT-HLAWJBBLSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CN(Cc2ccccc2)C1 ZINC000862481900 1329489547 /nfs/dbraw/zinc/48/95/47/1329489547.db2.gz APACTFOIBBWTRT-HLAWJBBLSA-N 2 1 329.532 3.219 20 0 EGADMP COc1cccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1F ZINC000863540857 1329562019 /nfs/dbraw/zinc/56/20/19/1329562019.db2.gz DXHGKGUKFLTQOE-UZLBHIALSA-N 2 1 342.414 3.180 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000934279115 1329961233 /nfs/dbraw/zinc/96/12/33/1329961233.db2.gz VXWRDAOPAYDINT-HOJAQTOUSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000934279115 1329961234 /nfs/dbraw/zinc/96/12/34/1329961234.db2.gz VXWRDAOPAYDINT-HOJAQTOUSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000934279115 1329961236 /nfs/dbraw/zinc/96/12/36/1329961236.db2.gz VXWRDAOPAYDINT-HOJAQTOUSA-N 2 1 343.515 3.029 20 0 EGADMP Fc1cccc2c1CCC[C@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000866260423 1330086739 /nfs/dbraw/zinc/08/67/39/1330086739.db2.gz GUMIKHXKQGZBTD-LJQANCHMSA-N 2 1 332.463 3.438 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000866413412 1330108866 /nfs/dbraw/zinc/10/88/66/1330108866.db2.gz QXAFUTAGILCCTP-YZGWKJHDSA-N 2 1 328.500 3.303 20 0 EGADMP C[C@H]([NH2+]CC[C@@H](O)C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866638312 1330136583 /nfs/dbraw/zinc/13/65/83/1330136583.db2.gz PBHMWYKHWRSVSG-IOMROCGXSA-N 2 1 330.516 3.428 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940747935 1331177881 /nfs/dbraw/zinc/17/78/81/1331177881.db2.gz SFQMMLNCEQSMJA-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000941029103 1331299458 /nfs/dbraw/zinc/29/94/58/1331299458.db2.gz RSSXVWDOTCNVES-IBGZPJMESA-N 2 1 345.531 3.029 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC3CC3)CC2(C)C)CC1 ZINC000941138702 1331350009 /nfs/dbraw/zinc/35/00/09/1331350009.db2.gz LNODXZQKYBNFBC-LJQANCHMSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000942172688 1331860222 /nfs/dbraw/zinc/86/02/22/1331860222.db2.gz MBHOJSPFNCHITD-MSOLQXFVSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CC3CCCCC3)C[C@@H]2C)CC1 ZINC000943755713 1332254754 /nfs/dbraw/zinc/25/47/54/1332254754.db2.gz HOPJUCOUXLBYHM-AZUAARDMSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657397 1332871781 /nfs/dbraw/zinc/87/17/81/1332871781.db2.gz JDMMUHILWOPSIC-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657397 1332871783 /nfs/dbraw/zinc/87/17/83/1332871783.db2.gz JDMMUHILWOPSIC-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657397 1332871786 /nfs/dbraw/zinc/87/17/86/1332871786.db2.gz JDMMUHILWOPSIC-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)[C@@H](C)C1 ZINC000947547288 1333167818 /nfs/dbraw/zinc/16/78/18/1333167818.db2.gz QDGQRNDIFDXAND-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)[C@@H](C)C1 ZINC000947547288 1333167821 /nfs/dbraw/zinc/16/78/21/1333167821.db2.gz QDGQRNDIFDXAND-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[N@H+]1CC1CCCC1 ZINC000947653591 1333210248 /nfs/dbraw/zinc/21/02/48/1333210248.db2.gz PSCKDXQWFCDCAF-CRAIPNDOSA-N 2 1 347.503 3.114 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947725714 1333241209 /nfs/dbraw/zinc/24/12/09/1333241209.db2.gz CARPCGUFQMIAOU-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947725714 1333241211 /nfs/dbraw/zinc/24/12/11/1333241211.db2.gz CARPCGUFQMIAOU-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947725714 1333241213 /nfs/dbraw/zinc/24/12/13/1333241213.db2.gz CARPCGUFQMIAOU-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCC(C)(C)C ZINC000947776061 1333258743 /nfs/dbraw/zinc/25/87/43/1333258743.db2.gz TVMSRKKGZGOULU-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCCC1CCCC1 ZINC000947934532 1333311467 /nfs/dbraw/zinc/31/14/67/1333311467.db2.gz KYMSJOPDUYIQJG-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCC1CCCCC1 ZINC000947934830 1333312422 /nfs/dbraw/zinc/31/24/22/1333312422.db2.gz MPMGSTVYSUVQDP-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1CCC1CC1 ZINC000948067097 1333362006 /nfs/dbraw/zinc/36/20/06/1333362006.db2.gz TWHFGQRUEYRTBQ-LPHOPBHVSA-N 2 1 343.515 3.131 20 0 EGADMP C[C@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1CCC1CC1 ZINC000948067098 1333362140 /nfs/dbraw/zinc/36/21/40/1333362140.db2.gz TWHFGQRUEYRTBQ-QFBILLFUSA-N 2 1 343.515 3.131 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948434391 1333522789 /nfs/dbraw/zinc/52/27/89/1333522789.db2.gz CBMYARPZCJSARE-QZTJIDSGSA-N 2 1 344.503 3.040 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948434391 1333522792 /nfs/dbraw/zinc/52/27/92/1333522792.db2.gz CBMYARPZCJSARE-QZTJIDSGSA-N 2 1 344.503 3.040 20 0 EGADMP CC(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948434622 1333522961 /nfs/dbraw/zinc/52/29/61/1333522961.db2.gz DFEJMHVCKDKPLQ-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948434622 1333522964 /nfs/dbraw/zinc/52/29/64/1333522964.db2.gz DFEJMHVCKDKPLQ-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434973 1333523029 /nfs/dbraw/zinc/52/30/29/1333523029.db2.gz HCRITCONWJENOD-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948434973 1333523031 /nfs/dbraw/zinc/52/30/31/1333523031.db2.gz HCRITCONWJENOD-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948434973 1333523033 /nfs/dbraw/zinc/52/30/33/1333523033.db2.gz HCRITCONWJENOD-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)[C@@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000948439306 1333525498 /nfs/dbraw/zinc/52/54/98/1333525498.db2.gz MHHXEWPYIFIVAI-UYAOXDASSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[C@@H]1CCC[NH+](CC2CC2)CC1 ZINC000948439306 1333525500 /nfs/dbraw/zinc/52/55/00/1333525500.db2.gz MHHXEWPYIFIVAI-UYAOXDASSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)[C@@H]1CCC[NH+](CC2CC2)CC1 ZINC000948439306 1333525502 /nfs/dbraw/zinc/52/55/02/1333525502.db2.gz MHHXEWPYIFIVAI-UYAOXDASSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000948552779 1333571885 /nfs/dbraw/zinc/57/18/85/1333571885.db2.gz BLPMVERJZRHNBQ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC000948552779 1333571887 /nfs/dbraw/zinc/57/18/87/1333571887.db2.gz BLPMVERJZRHNBQ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC000948552779 1333571888 /nfs/dbraw/zinc/57/18/88/1333571888.db2.gz BLPMVERJZRHNBQ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948574818 1333583138 /nfs/dbraw/zinc/58/31/38/1333583138.db2.gz LMJSKWRQQUVTOM-PMACEKPBSA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574818 1333583142 /nfs/dbraw/zinc/58/31/42/1333583142.db2.gz LMJSKWRQQUVTOM-PMACEKPBSA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574818 1333583144 /nfs/dbraw/zinc/58/31/44/1333583144.db2.gz LMJSKWRQQUVTOM-PMACEKPBSA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948591182 1333587392 /nfs/dbraw/zinc/58/73/92/1333587392.db2.gz RLVVGMYXSQYRQS-GOSISDBHSA-N 2 1 342.487 3.307 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948619966 1333599818 /nfs/dbraw/zinc/59/98/18/1333599818.db2.gz ARVWOFYYRKFHJD-GOSISDBHSA-N 2 1 340.471 3.227 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948767142 1333669559 /nfs/dbraw/zinc/66/95/59/1333669559.db2.gz QYYPERPITIMHGN-MJGOQNOKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000948767142 1333669561 /nfs/dbraw/zinc/66/95/61/1333669561.db2.gz QYYPERPITIMHGN-MJGOQNOKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000948767142 1333669564 /nfs/dbraw/zinc/66/95/64/1333669564.db2.gz QYYPERPITIMHGN-MJGOQNOKSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CCC[NH+](CC3CC(C)(C)C3)CC2)C1 ZINC000948767556 1333670384 /nfs/dbraw/zinc/67/03/84/1333670384.db2.gz YGBABVMJAKFWKS-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@H+](CC3CC(C)(C)C3)CC2)C1 ZINC000948767556 1333670388 /nfs/dbraw/zinc/67/03/88/1333670388.db2.gz YGBABVMJAKFWKS-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@@H+](CC3CC(C)(C)C3)CC2)C1 ZINC000948767556 1333670390 /nfs/dbraw/zinc/67/03/90/1333670390.db2.gz YGBABVMJAKFWKS-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CCC[NH+](CC3=CCCCC3)CC2)C1 ZINC000948778695 1333675868 /nfs/dbraw/zinc/67/58/68/1333675868.db2.gz BLXVPPVPNXELPL-QUCCMNQESA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@H+](CC3=CCCCC3)CC2)C1 ZINC000948778695 1333675871 /nfs/dbraw/zinc/67/58/71/1333675871.db2.gz BLXVPPVPNXELPL-QUCCMNQESA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@@H+](CC3=CCCCC3)CC2)C1 ZINC000948778695 1333675874 /nfs/dbraw/zinc/67/58/74/1333675874.db2.gz BLXVPPVPNXELPL-QUCCMNQESA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829592 1333701857 /nfs/dbraw/zinc/70/18/57/1333701857.db2.gz RBZUJSVRZCUJIG-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948833480 1333703498 /nfs/dbraw/zinc/70/34/98/1333703498.db2.gz UXLLJWVJZQWZPR-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000948858642 1333711487 /nfs/dbraw/zinc/71/14/87/1333711487.db2.gz MZMAMTUAXWCKIT-VQTJNVASSA-N 2 1 343.515 3.156 20 0 EGADMP CN(C(=O)Cc1ncc[nH]1)[C@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC000948886562 1333719396 /nfs/dbraw/zinc/71/93/96/1333719396.db2.gz OOKHPPSWUSFUGR-SFHVURJKSA-N 2 1 346.519 3.236 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C1C[NH+](CCCC2CCC2)C1 ZINC000950501213 1334082625 /nfs/dbraw/zinc/08/26/25/1334082625.db2.gz TZSQZBKEOXPYAT-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1C[NH+](CCC2CCCC2)C1 ZINC000950616187 1334097421 /nfs/dbraw/zinc/09/74/21/1334097421.db2.gz SURYFTWAIKWYGQ-UYAOXDASSA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC000950631199 1334099372 /nfs/dbraw/zinc/09/93/72/1334099372.db2.gz GDVSTAYCBMNEOJ-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@H]1C ZINC000968377032 1335909309 /nfs/dbraw/zinc/90/93/09/1335909309.db2.gz DPDIOYZXLDUSOU-IAGOWNOFSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1C ZINC000968377032 1335909311 /nfs/dbraw/zinc/90/93/11/1335909311.db2.gz DPDIOYZXLDUSOU-IAGOWNOFSA-N 2 1 348.535 3.269 20 0 EGADMP C[C@@H]1CC[N@@H+](CCCC2CCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968378684 1335910293 /nfs/dbraw/zinc/91/02/93/1335910293.db2.gz ROYCOYDMAOEDOX-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968673822 1336004823 /nfs/dbraw/zinc/00/48/23/1336004823.db2.gz MNFIIEAEZDVMCL-FXAWDEMLSA-N 2 1 343.515 3.155 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1=CCCCC1 ZINC000968782018 1336048517 /nfs/dbraw/zinc/04/85/17/1336048517.db2.gz RBBJEWALUWGPSY-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1=CCCCC1 ZINC000968782018 1336048518 /nfs/dbraw/zinc/04/85/18/1336048518.db2.gz RBBJEWALUWGPSY-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCC1=CCCCC1 ZINC000968782018 1336048520 /nfs/dbraw/zinc/04/85/20/1336048520.db2.gz RBBJEWALUWGPSY-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CC2CCC2)CC1 ZINC000969100842 1336143291 /nfs/dbraw/zinc/14/32/91/1336143291.db2.gz JLSHRKXLFQQXFW-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCCCC[N@H+]2CC2CC2)c1 ZINC000969153577 1336164459 /nfs/dbraw/zinc/16/44/59/1336164459.db2.gz KJTUKMWLTQSLJD-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC2CCCC2)C1 ZINC000969799245 1336248421 /nfs/dbraw/zinc/24/84/21/1336248421.db2.gz WBADVGJPFDYCNX-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CC3=CCCCC3)CC2)CC[N@H+]1C ZINC001005883019 1336415620 /nfs/dbraw/zinc/41/56/20/1336415620.db2.gz AGKIAAJRZWOKLO-HKUYNNGSSA-N 2 1 347.547 3.140 20 0 EGADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001006398569 1336499306 /nfs/dbraw/zinc/49/93/06/1336499306.db2.gz DSQCXZIVRRWFKP-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2=CCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001007801523 1336703337 /nfs/dbraw/zinc/70/33/37/1336703337.db2.gz RNEBDRHGTSZURS-SFHVURJKSA-N 2 1 338.455 3.029 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](CCC(C)(C)C)C2)C1 ZINC001008267644 1336810224 /nfs/dbraw/zinc/81/02/24/1336810224.db2.gz BUKKPZFOLWKCMI-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@H+](CCC(C)(C)C)C2)C1 ZINC001008267644 1336810228 /nfs/dbraw/zinc/81/02/28/1336810228.db2.gz BUKKPZFOLWKCMI-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001008267644 1336810230 /nfs/dbraw/zinc/81/02/30/1336810230.db2.gz BUKKPZFOLWKCMI-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(CC)CC)C2)C1 ZINC001008276532 1336812118 /nfs/dbraw/zinc/81/21/18/1336812118.db2.gz MKOHZUZQYJJBAJ-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC(CC)CC)C2)C1 ZINC001008276532 1336812121 /nfs/dbraw/zinc/81/21/21/1336812121.db2.gz MKOHZUZQYJJBAJ-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC(CC)CC)C2)C1 ZINC001008276532 1336812124 /nfs/dbraw/zinc/81/21/24/1336812124.db2.gz MKOHZUZQYJJBAJ-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001008531860 1336876400 /nfs/dbraw/zinc/87/64/00/1336876400.db2.gz MPOKEIQGMZLDCX-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001008531860 1336876401 /nfs/dbraw/zinc/87/64/01/1336876401.db2.gz MPOKEIQGMZLDCX-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001008531860 1336876403 /nfs/dbraw/zinc/87/64/03/1336876403.db2.gz MPOKEIQGMZLDCX-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001008749980 1336919596 /nfs/dbraw/zinc/91/95/96/1336919596.db2.gz SXCXMFSWCOQLDL-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009143470 1336975932 /nfs/dbraw/zinc/97/59/32/1336975932.db2.gz HMTIIFOHYNWGER-FQEVSTJZSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC=C(C)C)C1 ZINC001009171691 1336981295 /nfs/dbraw/zinc/98/12/95/1336981295.db2.gz WXMAFAHQRRMJMF-RTBURBONSA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC=C(C)C)C1 ZINC001009171691 1336981299 /nfs/dbraw/zinc/98/12/99/1336981299.db2.gz WXMAFAHQRRMJMF-RTBURBONSA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001009171691 1336981302 /nfs/dbraw/zinc/98/13/02/1336981302.db2.gz WXMAFAHQRRMJMF-RTBURBONSA-N 2 1 335.536 3.188 20 0 EGADMP COc1ccc(Br)cc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206292881 1371014580 /nfs/dbraw/zinc/01/45/80/1371014580.db2.gz FHURCLDWCOHTOJ-MRXNPFEDSA-N 2 1 341.293 3.409 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014391234 1337763913 /nfs/dbraw/zinc/76/39/13/1337763913.db2.gz BPIHOMQBPRAYHC-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001014391234 1337763918 /nfs/dbraw/zinc/76/39/18/1337763918.db2.gz BPIHOMQBPRAYHC-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001014391234 1337763924 /nfs/dbraw/zinc/76/39/24/1337763924.db2.gz BPIHOMQBPRAYHC-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014415389 1337771605 /nfs/dbraw/zinc/77/16/05/1337771605.db2.gz UGJNKTPWNBFXSG-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001014415389 1337771607 /nfs/dbraw/zinc/77/16/07/1337771607.db2.gz UGJNKTPWNBFXSG-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001014415389 1337771612 /nfs/dbraw/zinc/77/16/12/1337771612.db2.gz UGJNKTPWNBFXSG-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001014606586 1337845798 /nfs/dbraw/zinc/84/57/98/1337845798.db2.gz GNNKMVLKZTVNAU-MRXNPFEDSA-N 2 1 349.544 3.050 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001014606586 1337845799 /nfs/dbraw/zinc/84/57/99/1337845799.db2.gz GNNKMVLKZTVNAU-MRXNPFEDSA-N 2 1 349.544 3.050 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001014635697 1337854739 /nfs/dbraw/zinc/85/47/39/1337854739.db2.gz XFBMFIFSFVZVTA-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001014635697 1337854744 /nfs/dbraw/zinc/85/47/44/1337854744.db2.gz XFBMFIFSFVZVTA-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001014635697 1337854748 /nfs/dbraw/zinc/85/47/48/1337854748.db2.gz XFBMFIFSFVZVTA-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CCCC2CCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001014728087 1337888489 /nfs/dbraw/zinc/88/84/89/1337888489.db2.gz LBGILVPEXOSZQP-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CC[NH+](CCCC2CCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001014728087 1337888493 /nfs/dbraw/zinc/88/84/93/1337888493.db2.gz LBGILVPEXOSZQP-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CC[NH+](CCCC2CCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001014728087 1337888497 /nfs/dbraw/zinc/88/84/97/1337888497.db2.gz LBGILVPEXOSZQP-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001015056696 1338004737 /nfs/dbraw/zinc/00/47/37/1338004737.db2.gz IEVHGZHJHQENNO-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001015056696 1338004743 /nfs/dbraw/zinc/00/47/43/1338004743.db2.gz IEVHGZHJHQENNO-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001015056696 1338004749 /nfs/dbraw/zinc/00/47/49/1338004749.db2.gz IEVHGZHJHQENNO-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015291876 1338087100 /nfs/dbraw/zinc/08/71/00/1338087100.db2.gz WNSKBUPEGZFDCI-WMZOPIPTSA-N 2 1 348.450 3.208 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001015603455 1338203994 /nfs/dbraw/zinc/20/39/94/1338203994.db2.gz TUFHEJMAMVIBKP-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001015603455 1338203998 /nfs/dbraw/zinc/20/39/98/1338203998.db2.gz TUFHEJMAMVIBKP-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001015603455 1338204001 /nfs/dbraw/zinc/20/40/01/1338204001.db2.gz TUFHEJMAMVIBKP-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001015791144 1338311250 /nfs/dbraw/zinc/31/12/50/1338311250.db2.gz BDUKRUYGWDGZIR-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001015791144 1338311251 /nfs/dbraw/zinc/31/12/51/1338311251.db2.gz BDUKRUYGWDGZIR-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001015791144 1338311254 /nfs/dbraw/zinc/31/12/54/1338311254.db2.gz BDUKRUYGWDGZIR-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001015791156 1338312250 /nfs/dbraw/zinc/31/22/50/1338312250.db2.gz BHQTYCUPJFQNDY-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001015791156 1338312253 /nfs/dbraw/zinc/31/22/53/1338312253.db2.gz BHQTYCUPJFQNDY-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001015791156 1338312257 /nfs/dbraw/zinc/31/22/57/1338312257.db2.gz BHQTYCUPJFQNDY-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)cs1 ZINC001015794857 1338314142 /nfs/dbraw/zinc/31/41/42/1338314142.db2.gz JOPXRDVHMSFOIG-SJLPKXTDSA-N 2 1 349.544 3.012 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795744 1338315053 /nfs/dbraw/zinc/31/50/53/1338315053.db2.gz RRKXERRWSIYAJB-QUCCMNQESA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016663372 1338683851 /nfs/dbraw/zinc/68/38/51/1338683851.db2.gz QEDWXXRMBNOTSZ-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001016787485 1338727424 /nfs/dbraw/zinc/72/74/24/1338727424.db2.gz NKEHVOMRFJXWGK-RBUKOAKNSA-N 2 1 347.547 3.164 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001016793352 1338729137 /nfs/dbraw/zinc/72/91/37/1338729137.db2.gz KKGROIXBIXUXMJ-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC12CC[NH+](CCCC1CCC1)CC2 ZINC001016829640 1338740009 /nfs/dbraw/zinc/74/00/09/1338740009.db2.gz MHXNUAGTHQVAEV-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016862393 1338751379 /nfs/dbraw/zinc/75/13/79/1338751379.db2.gz XVBLUNMSJYCVNQ-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016924804 1338772257 /nfs/dbraw/zinc/77/22/57/1338772257.db2.gz ZWANMUYTYRFGNM-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](C[NH+](C)CC3CCCC3)C2)CC[N@H+]1C ZINC001017189622 1338936145 /nfs/dbraw/zinc/93/61/45/1338936145.db2.gz GIJBPVJYWOGYAS-IHPCNDPISA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](C[N@H+](C)CC3CCCC3)C2)CC[NH+]1C ZINC001017189622 1338936148 /nfs/dbraw/zinc/93/61/48/1338936148.db2.gz GIJBPVJYWOGYAS-IHPCNDPISA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](C[N@@H+](C)CC3CCCC3)C2)CC[NH+]1C ZINC001017189622 1338936149 /nfs/dbraw/zinc/93/61/49/1338936149.db2.gz GIJBPVJYWOGYAS-IHPCNDPISA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001017246058 1338976748 /nfs/dbraw/zinc/97/67/48/1338976748.db2.gz LOQGOIRUJKPLCZ-RXVVDRJESA-N 2 1 345.531 3.042 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001017262652 1338989490 /nfs/dbraw/zinc/98/94/90/1338989490.db2.gz DKGXWIIENAAGBZ-RBUKOAKNSA-N 2 1 343.515 3.014 20 0 EGADMP CC(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001017594734 1339374890 /nfs/dbraw/zinc/37/48/90/1339374890.db2.gz ZNFFBKRDIKCNQY-CALCHBBNSA-N 2 1 349.544 3.145 20 0 EGADMP CC(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001017594734 1339374892 /nfs/dbraw/zinc/37/48/92/1339374892.db2.gz ZNFFBKRDIKCNQY-CALCHBBNSA-N 2 1 349.544 3.145 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001017618930 1339378014 /nfs/dbraw/zinc/37/80/14/1339378014.db2.gz VZEFHRGXGCNQRT-RSPOEFSDSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001017618930 1339378015 /nfs/dbraw/zinc/37/80/15/1339378015.db2.gz VZEFHRGXGCNQRT-RSPOEFSDSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001017618930 1339378018 /nfs/dbraw/zinc/37/80/18/1339378018.db2.gz VZEFHRGXGCNQRT-RSPOEFSDSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001018024091 1339484409 /nfs/dbraw/zinc/48/44/09/1339484409.db2.gz PCBHIZYFUCQQPL-KURKYZTESA-N 2 1 346.519 3.118 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001018024091 1339484410 /nfs/dbraw/zinc/48/44/10/1339484410.db2.gz PCBHIZYFUCQQPL-KURKYZTESA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001018065262 1339493615 /nfs/dbraw/zinc/49/36/15/1339493615.db2.gz OVNLFUWONMSFRV-BGYRXZFFSA-N 2 1 341.499 3.003 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001018065262 1339493617 /nfs/dbraw/zinc/49/36/17/1339493617.db2.gz OVNLFUWONMSFRV-BGYRXZFFSA-N 2 1 341.499 3.003 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001028088680 1340417540 /nfs/dbraw/zinc/41/75/40/1340417540.db2.gz NQAIJSDGFHBACP-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC2=CCCCC2)C1 ZINC001028088680 1340417544 /nfs/dbraw/zinc/41/75/44/1340417544.db2.gz NQAIJSDGFHBACP-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC2=CCCCC2)C1 ZINC001028088680 1340417546 /nfs/dbraw/zinc/41/75/46/1340417546.db2.gz NQAIJSDGFHBACP-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001028104214 1340427954 /nfs/dbraw/zinc/42/79/54/1340427954.db2.gz HRHRCGJRLYWYBF-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC001028104214 1340427961 /nfs/dbraw/zinc/42/79/61/1340427961.db2.gz HRHRCGJRLYWYBF-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CC(C)(C)C1 ZINC001028181492 1340471611 /nfs/dbraw/zinc/47/16/11/1340471611.db2.gz UGZSXBUQTWRHJZ-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001028181492 1340471612 /nfs/dbraw/zinc/47/16/12/1340471612.db2.gz UGZSXBUQTWRHJZ-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC001028181492 1340471614 /nfs/dbraw/zinc/47/16/14/1340471614.db2.gz UGZSXBUQTWRHJZ-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001028647103 1340742113 /nfs/dbraw/zinc/74/21/13/1340742113.db2.gz FIGJGZQXWWGVEG-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001028647103 1340742115 /nfs/dbraw/zinc/74/21/15/1340742115.db2.gz FIGJGZQXWWGVEG-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001028647103 1340742118 /nfs/dbraw/zinc/74/21/18/1340742118.db2.gz FIGJGZQXWWGVEG-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001028692924 1340761138 /nfs/dbraw/zinc/76/11/38/1340761138.db2.gz DRCQSLJOTBEASQ-SJORKVTESA-N 2 1 348.450 3.147 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001028755567 1340791217 /nfs/dbraw/zinc/79/12/17/1340791217.db2.gz RZWDPELUZFCIGJ-VQTJNVASSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCC3CCCC3)C2)C1 ZINC001028755567 1340791220 /nfs/dbraw/zinc/79/12/20/1340791220.db2.gz RZWDPELUZFCIGJ-VQTJNVASSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001028755567 1340791222 /nfs/dbraw/zinc/79/12/22/1340791222.db2.gz RZWDPELUZFCIGJ-VQTJNVASSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001029100615 1340930002 /nfs/dbraw/zinc/93/00/02/1340930002.db2.gz KPQWLAWLBZIVMM-IEBWSBKVSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029106579 1340931441 /nfs/dbraw/zinc/93/14/41/1340931441.db2.gz RFVZGHZMFZAPRI-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([C@@H](C)[NH2+]CC3CCC3)CC2)C1 ZINC001029133606 1340939229 /nfs/dbraw/zinc/93/92/29/1340939229.db2.gz VNUOLRFATGPKEM-XLIONFOSSA-N 2 1 349.563 3.125 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)CC ZINC001029314271 1340970300 /nfs/dbraw/zinc/97/03/00/1340970300.db2.gz MDDQLVZIEAJQIF-TVFCKZIOSA-N 2 1 346.519 3.118 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001029314271 1340970302 /nfs/dbraw/zinc/97/03/02/1340970302.db2.gz MDDQLVZIEAJQIF-TVFCKZIOSA-N 2 1 346.519 3.118 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001029345367 1340974850 /nfs/dbraw/zinc/97/48/50/1340974850.db2.gz UMMLFSOWEKUBDA-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001029345367 1340974852 /nfs/dbraw/zinc/97/48/52/1340974852.db2.gz UMMLFSOWEKUBDA-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001029345367 1340974855 /nfs/dbraw/zinc/97/48/55/1340974855.db2.gz UMMLFSOWEKUBDA-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)C1 ZINC001029436750 1340990202 /nfs/dbraw/zinc/99/02/02/1340990202.db2.gz DUEFMKNXODMJNO-GBESFXJTSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)C1 ZINC001029436750 1340990203 /nfs/dbraw/zinc/99/02/03/1340990203.db2.gz DUEFMKNXODMJNO-GBESFXJTSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)C1 ZINC001029436750 1340990204 /nfs/dbraw/zinc/99/02/04/1340990204.db2.gz DUEFMKNXODMJNO-GBESFXJTSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1cccc(C)c1)[NH+](C)C ZINC001029477535 1340998267 /nfs/dbraw/zinc/99/82/67/1340998267.db2.gz HQWVQSQKJJGPTE-FFGOWVMKSA-N 2 1 343.515 3.071 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001029596111 1341018522 /nfs/dbraw/zinc/01/85/22/1341018522.db2.gz ZTQJEBVKIFLSTD-LFGUQSLTSA-N 2 1 345.531 3.035 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029751558 1341063781 /nfs/dbraw/zinc/06/37/81/1341063781.db2.gz XHNKJJFEGLFNEU-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001029751558 1341063783 /nfs/dbraw/zinc/06/37/83/1341063783.db2.gz XHNKJJFEGLFNEU-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001029751558 1341063785 /nfs/dbraw/zinc/06/37/85/1341063785.db2.gz XHNKJJFEGLFNEU-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001029753246 1341064233 /nfs/dbraw/zinc/06/42/33/1341064233.db2.gz BHUCUZGPGBQVHI-ROUUACIJSA-N 2 1 343.515 3.012 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001029758842 1341064712 /nfs/dbraw/zinc/06/47/12/1341064712.db2.gz GRGANAUYWUFZOS-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001029758842 1341064713 /nfs/dbraw/zinc/06/47/13/1341064713.db2.gz GRGANAUYWUFZOS-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001029758842 1341064714 /nfs/dbraw/zinc/06/47/14/1341064714.db2.gz GRGANAUYWUFZOS-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001029774211 1341069915 /nfs/dbraw/zinc/06/99/15/1341069915.db2.gz KVCXPDSCLXZSQA-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029774211 1341069916 /nfs/dbraw/zinc/06/99/16/1341069916.db2.gz KVCXPDSCLXZSQA-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029774211 1341069917 /nfs/dbraw/zinc/06/99/17/1341069917.db2.gz KVCXPDSCLXZSQA-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC(C[N@@H+](C)CC3CCC3)CC2)C1 ZINC001030010465 1341157114 /nfs/dbraw/zinc/15/71/14/1341157114.db2.gz ROCHLLGMNAMARS-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC(C[N@@H+](C)CC2CC2)CC1)[NH+]1CCCCC1 ZINC001030014964 1341158797 /nfs/dbraw/zinc/15/87/97/1341158797.db2.gz XFVXQHDVFPTGIK-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001030026247 1341160528 /nfs/dbraw/zinc/16/05/28/1341160528.db2.gz QOFYIKIVZLYCJZ-RLLQIKCJSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001030026247 1341160529 /nfs/dbraw/zinc/16/05/29/1341160529.db2.gz QOFYIKIVZLYCJZ-RLLQIKCJSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001030026247 1341160530 /nfs/dbraw/zinc/16/05/30/1341160530.db2.gz QOFYIKIVZLYCJZ-RLLQIKCJSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001030026247 1341160531 /nfs/dbraw/zinc/16/05/31/1341160531.db2.gz QOFYIKIVZLYCJZ-RLLQIKCJSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+]2CCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001030032216 1341162155 /nfs/dbraw/zinc/16/21/55/1341162155.db2.gz GMAGONBGIYIZTQ-CMKODMSKSA-N 2 1 343.515 3.039 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+]2CCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001030032216 1341162157 /nfs/dbraw/zinc/16/21/57/1341162157.db2.gz GMAGONBGIYIZTQ-CMKODMSKSA-N 2 1 343.515 3.039 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+]2CCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001030032216 1341162159 /nfs/dbraw/zinc/16/21/59/1341162159.db2.gz GMAGONBGIYIZTQ-CMKODMSKSA-N 2 1 343.515 3.039 20 0 EGADMP O=C(NC1C[NH+](CCC2=CCCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001030442919 1341187643 /nfs/dbraw/zinc/18/76/43/1341187643.db2.gz IBSWNKVSUQYFGM-FQEVSTJZSA-N 2 1 345.531 3.084 20 0 EGADMP O=C(NC1C[NH+](CCC2=CCCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001030442919 1341187644 /nfs/dbraw/zinc/18/76/44/1341187644.db2.gz IBSWNKVSUQYFGM-FQEVSTJZSA-N 2 1 345.531 3.084 20 0 EGADMP Cc1c(C(=O)NC2C[NH+](CCCC3CCCC3)C2)ccc2c[nH+]cn21 ZINC001030586342 1341199223 /nfs/dbraw/zinc/19/92/23/1341199223.db2.gz KCFIYJMEUJVDMY-UHFFFAOYSA-N 2 1 340.471 3.027 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001030682559 1341208614 /nfs/dbraw/zinc/20/86/14/1341208614.db2.gz YKCSBSBDRPNVMR-UHFFFAOYSA-N 2 1 340.471 3.109 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001031715105 1341392114 /nfs/dbraw/zinc/39/21/14/1341392114.db2.gz PWFFIFAVXZVIDE-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CCCCC2)C1 ZINC001032119135 1341458721 /nfs/dbraw/zinc/45/87/21/1341458721.db2.gz GTMHOQBNIFDGMD-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C)[NH+]1CCCCC1 ZINC001032803668 1341619458 /nfs/dbraw/zinc/61/94/58/1341619458.db2.gz ICMQZZQNEMIPEC-FHWLQOOXSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033146436 1341739388 /nfs/dbraw/zinc/73/93/88/1341739388.db2.gz PEUJONRPQOSHPU-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033146436 1341739391 /nfs/dbraw/zinc/73/93/91/1341739391.db2.gz PEUJONRPQOSHPU-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033146436 1341739393 /nfs/dbraw/zinc/73/93/93/1341739393.db2.gz PEUJONRPQOSHPU-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001033353310 1341793399 /nfs/dbraw/zinc/79/33/99/1341793399.db2.gz GHAOIMLHZRBKEJ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCCC3CCC3)C2)C1 ZINC001033353310 1341793400 /nfs/dbraw/zinc/79/34/00/1341793400.db2.gz GHAOIMLHZRBKEJ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001033353310 1341793401 /nfs/dbraw/zinc/79/34/01/1341793401.db2.gz GHAOIMLHZRBKEJ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365134 1341797103 /nfs/dbraw/zinc/79/71/03/1341797103.db2.gz LIFFCENVDVSCPD-OALUTQOASA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365134 1341797104 /nfs/dbraw/zinc/79/71/04/1341797104.db2.gz LIFFCENVDVSCPD-OALUTQOASA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365134 1341797105 /nfs/dbraw/zinc/79/71/05/1341797105.db2.gz LIFFCENVDVSCPD-OALUTQOASA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365135 1341797288 /nfs/dbraw/zinc/79/72/88/1341797288.db2.gz LIFFCENVDVSCPD-RBUKOAKNSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365135 1341797291 /nfs/dbraw/zinc/79/72/91/1341797291.db2.gz LIFFCENVDVSCPD-RBUKOAKNSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365135 1341797294 /nfs/dbraw/zinc/79/72/94/1341797294.db2.gz LIFFCENVDVSCPD-RBUKOAKNSA-N 2 1 335.536 3.116 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472179 1341839936 /nfs/dbraw/zinc/83/99/36/1341839936.db2.gz SMOXEIRSTXBXSQ-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033472179 1341839939 /nfs/dbraw/zinc/83/99/39/1341839939.db2.gz SMOXEIRSTXBXSQ-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033472179 1341839942 /nfs/dbraw/zinc/83/99/42/1341839942.db2.gz SMOXEIRSTXBXSQ-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033511314 1341853204 /nfs/dbraw/zinc/85/32/04/1341853204.db2.gz ZSCYHMGNUZANNY-HXUWFJFHSA-N 2 1 345.531 3.331 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)CC1 ZINC001075459135 1356392694 /nfs/dbraw/zinc/39/26/94/1356392694.db2.gz ZSSFLCIOBBCXEQ-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC001075459135 1356392696 /nfs/dbraw/zinc/39/26/96/1356392696.db2.gz ZSSFLCIOBBCXEQ-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)CC1 ZINC001075459135 1356392698 /nfs/dbraw/zinc/39/26/98/1356392698.db2.gz ZSSFLCIOBBCXEQ-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034132255 1342260972 /nfs/dbraw/zinc/26/09/72/1342260972.db2.gz QJJAINGXSYIOFF-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CCCCC2)C1 ZINC001034132255 1342260973 /nfs/dbraw/zinc/26/09/73/1342260973.db2.gz QJJAINGXSYIOFF-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001034132255 1342260977 /nfs/dbraw/zinc/26/09/77/1342260977.db2.gz QJJAINGXSYIOFF-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034203867 1342313975 /nfs/dbraw/zinc/31/39/75/1342313975.db2.gz HCHATNHDZBLNDF-MSOLQXFVSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccsc2)C1 ZINC001034203867 1342313979 /nfs/dbraw/zinc/31/39/79/1342313979.db2.gz HCHATNHDZBLNDF-MSOLQXFVSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccsc2)C1 ZINC001034203867 1342313983 /nfs/dbraw/zinc/31/39/83/1342313983.db2.gz HCHATNHDZBLNDF-MSOLQXFVSA-N 2 1 349.544 3.092 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034285186 1342373237 /nfs/dbraw/zinc/37/32/37/1342373237.db2.gz QXKJPNQOLQDXQD-WBVHZDCISA-N 2 1 342.487 3.273 20 0 EGADMP CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034361791 1342433815 /nfs/dbraw/zinc/43/38/15/1342433815.db2.gz SCFRMZNCEVGVJH-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034361791 1342433818 /nfs/dbraw/zinc/43/38/18/1342433818.db2.gz SCFRMZNCEVGVJH-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034361791 1342433820 /nfs/dbraw/zinc/43/38/20/1342433820.db2.gz SCFRMZNCEVGVJH-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034395709 1342463874 /nfs/dbraw/zinc/46/38/74/1342463874.db2.gz BWMHWGWNRFNMLJ-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](CCC2CCCCC2)C1 ZINC001034395709 1342463878 /nfs/dbraw/zinc/46/38/78/1342463878.db2.gz BWMHWGWNRFNMLJ-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001034395709 1342463881 /nfs/dbraw/zinc/46/38/81/1342463881.db2.gz BWMHWGWNRFNMLJ-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](CC3CCCCCC3)C2)C1 ZINC001034395175 1342464072 /nfs/dbraw/zinc/46/40/72/1342464072.db2.gz VEWNGPRUTWFWSX-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CC3CCCCCC3)C2)C1 ZINC001034395175 1342464076 /nfs/dbraw/zinc/46/40/76/1342464076.db2.gz VEWNGPRUTWFWSX-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001034395175 1342464078 /nfs/dbraw/zinc/46/40/78/1342464078.db2.gz VEWNGPRUTWFWSX-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)cs1 ZINC001034400909 1342466132 /nfs/dbraw/zinc/46/61/32/1342466132.db2.gz YOTULWQPJQMZHZ-QAPCUYQASA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)cs1 ZINC001034400909 1342466135 /nfs/dbraw/zinc/46/61/35/1342466135.db2.gz YOTULWQPJQMZHZ-QAPCUYQASA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)cs1 ZINC001034400909 1342466138 /nfs/dbraw/zinc/46/61/38/1342466138.db2.gz YOTULWQPJQMZHZ-QAPCUYQASA-N 2 1 349.544 3.012 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC001034491768 1342547967 /nfs/dbraw/zinc/54/79/67/1342547967.db2.gz WVDDOUJAZBHSGH-INIZCTEOSA-N 2 1 346.519 3.168 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCCC[N@@H+](CCC(C)(C)C)C1 ZINC001034491768 1342547969 /nfs/dbraw/zinc/54/79/69/1342547969.db2.gz WVDDOUJAZBHSGH-INIZCTEOSA-N 2 1 346.519 3.168 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](CCC2=CCCCC2)C1 ZINC001034529944 1342585429 /nfs/dbraw/zinc/58/54/29/1342585429.db2.gz RLZSUZURNNMRGN-LJQANCHMSA-N 2 1 344.503 3.053 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](CCC2=CCCCC2)C1 ZINC001034529944 1342585430 /nfs/dbraw/zinc/58/54/30/1342585430.db2.gz RLZSUZURNNMRGN-LJQANCHMSA-N 2 1 344.503 3.053 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034537570 1342595588 /nfs/dbraw/zinc/59/55/88/1342595588.db2.gz MOHMFRAVMVBQCM-FQEVSTJZSA-N 2 1 343.515 3.299 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC001034607117 1342645251 /nfs/dbraw/zinc/64/52/51/1342645251.db2.gz LDRDYKWEUYXEDE-WTGUMLROSA-N 2 1 343.515 3.249 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034646808 1342669632 /nfs/dbraw/zinc/66/96/32/1342669632.db2.gz VWUVDLICYFMVAY-UFYCRDLUSA-N 2 1 349.563 3.457 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(C)C3)CC2)C1 ZINC001034712071 1342708231 /nfs/dbraw/zinc/70/82/31/1342708231.db2.gz OLFRDEKERWZYTH-PWKSQPCKSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034737954 1342729028 /nfs/dbraw/zinc/72/90/28/1342729028.db2.gz PDYJOWIYNZPGFL-WDSOQIARSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001034738649 1342729798 /nfs/dbraw/zinc/72/97/98/1342729798.db2.gz VIBUBVZTSYIKDW-FRYIKTPZSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@@H]([NH2+]CC2CC(C)C2)CC1 ZINC001034748660 1342736748 /nfs/dbraw/zinc/73/67/48/1342736748.db2.gz ACVCAPRFIPLBAG-WFAGLZIHSA-N 2 1 349.563 3.312 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001034974219 1342860682 /nfs/dbraw/zinc/86/06/82/1342860682.db2.gz YUXRETFUVZBFDX-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC001035014161 1342876734 /nfs/dbraw/zinc/87/67/34/1342876734.db2.gz RBCKCQCXFOKHRB-ZTFGCOKTSA-N 2 1 349.906 3.076 20 0 EGADMP CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)CC2 ZINC001035187124 1343001035 /nfs/dbraw/zinc/00/10/35/1343001035.db2.gz QYWLWHQCWWUSRS-QGZVFWFLSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)CC2 ZINC001035187124 1343001041 /nfs/dbraw/zinc/00/10/41/1343001041.db2.gz QYWLWHQCWWUSRS-QGZVFWFLSA-N 2 1 346.519 3.121 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC2(CC[N@@H+](CCC(C)(C)C)C2)CC1)C1CC1 ZINC001035193591 1343007979 /nfs/dbraw/zinc/00/79/79/1343007979.db2.gz HODXLEUFZIUBKR-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035210267 1343028661 /nfs/dbraw/zinc/02/86/61/1343028661.db2.gz JXBJNCVMDWQMHM-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035236906 1343060356 /nfs/dbraw/zinc/06/03/56/1343060356.db2.gz FBWIBPXNEULDRD-RTBURBONSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035236906 1343060359 /nfs/dbraw/zinc/06/03/59/1343060359.db2.gz FBWIBPXNEULDRD-RTBURBONSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035236906 1343060361 /nfs/dbraw/zinc/06/03/61/1343060361.db2.gz FBWIBPXNEULDRD-RTBURBONSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035716932 1343149730 /nfs/dbraw/zinc/14/97/30/1343149730.db2.gz BEDIMSJOUABECO-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC001035779889 1343190895 /nfs/dbraw/zinc/19/08/95/1343190895.db2.gz WUQLJEAXAZNFDX-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035810212 1343210102 /nfs/dbraw/zinc/21/01/02/1343210102.db2.gz JSNFHFGHCHUQFF-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H]([NH2+]CC2CCC2)[C@@H](C)C1 ZINC001036202798 1343361683 /nfs/dbraw/zinc/36/16/83/1343361683.db2.gz KPJZKCDJMUHYNG-FUHWJXTLSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036731721 1343660673 /nfs/dbraw/zinc/66/06/73/1343660673.db2.gz YGHHSEUIHKKLED-RDJZCZTQSA-N 2 1 349.544 3.002 20 0 EGADMP CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)CC[C@@H]21 ZINC001036905842 1343853084 /nfs/dbraw/zinc/85/30/84/1343853084.db2.gz PZXVHRIZOYYLJW-WMZOPIPTSA-N 2 1 347.503 3.068 20 0 EGADMP CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001037858090 1344143770 /nfs/dbraw/zinc/14/37/70/1344143770.db2.gz DRVCQXUPQWGLMW-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038238195 1344338412 /nfs/dbraw/zinc/33/84/12/1344338412.db2.gz GELFNAXEQKLXSB-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCCC1 ZINC001038238195 1344338414 /nfs/dbraw/zinc/33/84/14/1344338414.db2.gz GELFNAXEQKLXSB-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001038238195 1344338415 /nfs/dbraw/zinc/33/84/15/1344338415.db2.gz GELFNAXEQKLXSB-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001038316266 1344377630 /nfs/dbraw/zinc/37/76/30/1344377630.db2.gz XUZUTCYOTRTWKM-HNNXBMFYSA-N 2 1 337.533 3.050 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001038316266 1344377634 /nfs/dbraw/zinc/37/76/34/1344377634.db2.gz XUZUTCYOTRTWKM-HNNXBMFYSA-N 2 1 337.533 3.050 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CCCC2CCCC2)C1 ZINC001038339867 1344387227 /nfs/dbraw/zinc/38/72/27/1344387227.db2.gz KDGLBIITMBJSAK-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCCC2CCCC2)C1 ZINC001038339867 1344387228 /nfs/dbraw/zinc/38/72/28/1344387228.db2.gz KDGLBIITMBJSAK-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2CCCC2CCCC2)C1 ZINC001038339867 1344387229 /nfs/dbraw/zinc/38/72/29/1344387229.db2.gz KDGLBIITMBJSAK-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038462442 1344434482 /nfs/dbraw/zinc/43/44/82/1344434482.db2.gz LRNXJBKNTUYLKC-SJLPKXTDSA-N 2 1 348.450 3.208 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001038780500 1344581235 /nfs/dbraw/zinc/58/12/35/1344581235.db2.gz LKQRMULBSFVBBD-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001038780500 1344581237 /nfs/dbraw/zinc/58/12/37/1344581237.db2.gz LKQRMULBSFVBBD-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCC1 ZINC001038780500 1344581241 /nfs/dbraw/zinc/58/12/41/1344581241.db2.gz LKQRMULBSFVBBD-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCC2CCCCC2)CC1 ZINC001038862399 1344617591 /nfs/dbraw/zinc/61/75/91/1344617591.db2.gz HXTKPGAWVCRWRC-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001039047266 1344732973 /nfs/dbraw/zinc/73/29/73/1344732973.db2.gz CMESKBRBMWUFGE-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001039047266 1344732977 /nfs/dbraw/zinc/73/29/77/1344732977.db2.gz CMESKBRBMWUFGE-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCC1 ZINC001039047266 1344732980 /nfs/dbraw/zinc/73/29/80/1344732980.db2.gz CMESKBRBMWUFGE-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039166352 1344852254 /nfs/dbraw/zinc/85/22/54/1344852254.db2.gz VIAMDDULMXRPKG-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001039183162 1344881218 /nfs/dbraw/zinc/88/12/18/1344881218.db2.gz WYIKNBUHIHBMJA-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001039183162 1344881222 /nfs/dbraw/zinc/88/12/22/1344881222.db2.gz WYIKNBUHIHBMJA-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001039183162 1344881226 /nfs/dbraw/zinc/88/12/26/1344881226.db2.gz WYIKNBUHIHBMJA-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001039235614 1344957418 /nfs/dbraw/zinc/95/74/18/1344957418.db2.gz QQJGTJRFLZDXEX-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001039235614 1344957421 /nfs/dbraw/zinc/95/74/21/1344957421.db2.gz QQJGTJRFLZDXEX-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001039289646 1344998487 /nfs/dbraw/zinc/99/84/87/1344998487.db2.gz WMICCWBTNZHYDZ-ZNBHLAFESA-N 2 1 347.547 3.305 20 0 EGADMP CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001039492000 1345112091 /nfs/dbraw/zinc/11/20/91/1345112091.db2.gz CBNSKPGDVPJDFT-FQEVSTJZSA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001039492000 1345112094 /nfs/dbraw/zinc/11/20/94/1345112094.db2.gz CBNSKPGDVPJDFT-FQEVSTJZSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)C1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCCC2CCC2)CCC1 ZINC001039644107 1345152320 /nfs/dbraw/zinc/15/23/20/1345152320.db2.gz NNSKUWIHCWZXIO-KDURUIRLSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040240045 1345390011 /nfs/dbraw/zinc/39/00/11/1345390011.db2.gz CFCZCCVTNSXJSX-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040240045 1345390014 /nfs/dbraw/zinc/39/00/14/1345390014.db2.gz CFCZCCVTNSXJSX-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040240045 1345390017 /nfs/dbraw/zinc/39/00/17/1345390017.db2.gz CFCZCCVTNSXJSX-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040240792 1345390821 /nfs/dbraw/zinc/39/08/21/1345390821.db2.gz JNKSMLWPHDJDIS-CTNGQTDRSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001040240792 1345390824 /nfs/dbraw/zinc/39/08/24/1345390824.db2.gz JNKSMLWPHDJDIS-CTNGQTDRSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001040240792 1345390826 /nfs/dbraw/zinc/39/08/26/1345390826.db2.gz JNKSMLWPHDJDIS-CTNGQTDRSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040243779 1345393716 /nfs/dbraw/zinc/39/37/16/1345393716.db2.gz AXGKITLOFLSSAB-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040243779 1345393721 /nfs/dbraw/zinc/39/37/21/1345393721.db2.gz AXGKITLOFLSSAB-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040243779 1345393728 /nfs/dbraw/zinc/39/37/28/1345393728.db2.gz AXGKITLOFLSSAB-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001040270363 1345405373 /nfs/dbraw/zinc/40/53/73/1345405373.db2.gz INAIKJSVGGUBIX-OAQYLSRUSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001040270363 1345405374 /nfs/dbraw/zinc/40/53/74/1345405374.db2.gz INAIKJSVGGUBIX-OAQYLSRUSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001040270363 1345405375 /nfs/dbraw/zinc/40/53/75/1345405375.db2.gz INAIKJSVGGUBIX-OAQYLSRUSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001040453691 1345507913 /nfs/dbraw/zinc/50/79/13/1345507913.db2.gz QNGKTUBLXBBHQK-OAQYLSRUSA-N 2 1 343.515 3.086 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545417 1345539837 /nfs/dbraw/zinc/53/98/37/1345539837.db2.gz PRDAJFSLSLKVJY-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)CC1 ZINC001040882329 1345593633 /nfs/dbraw/zinc/59/36/33/1345593633.db2.gz CSISOYVSWUSHIO-RTBURBONSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC001040948575 1345607344 /nfs/dbraw/zinc/60/73/44/1345607344.db2.gz UWPOQRWOSNMVHX-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041373873 1345711749 /nfs/dbraw/zinc/71/17/49/1345711749.db2.gz YPJXNPMYWDREKD-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001041373873 1345711752 /nfs/dbraw/zinc/71/17/52/1345711752.db2.gz YPJXNPMYWDREKD-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001041373873 1345711755 /nfs/dbraw/zinc/71/17/55/1345711755.db2.gz YPJXNPMYWDREKD-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424584 1345725521 /nfs/dbraw/zinc/72/55/21/1345725521.db2.gz LZNMRWVWOQBKIO-NRFANRHFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001041424584 1345725525 /nfs/dbraw/zinc/72/55/25/1345725525.db2.gz LZNMRWVWOQBKIO-NRFANRHFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001041424584 1345725527 /nfs/dbraw/zinc/72/55/27/1345725527.db2.gz LZNMRWVWOQBKIO-NRFANRHFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041723376 1345832412 /nfs/dbraw/zinc/83/24/12/1345832412.db2.gz HGVDTBOJODQLNR-HXUWFJFHSA-N 2 1 346.519 3.121 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001041723376 1345832413 /nfs/dbraw/zinc/83/24/13/1345832413.db2.gz HGVDTBOJODQLNR-HXUWFJFHSA-N 2 1 346.519 3.121 20 0 EGADMP CC1CC[NH+](CC(=O)N2CC[C@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)CC1 ZINC001041757395 1345840965 /nfs/dbraw/zinc/84/09/65/1345840965.db2.gz UNCIZLACXRXBDH-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042063374 1345933408 /nfs/dbraw/zinc/93/34/08/1345933408.db2.gz VSPJMIQIWFYLSS-RBUKOAKNSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]21 ZINC001042373940 1346062918 /nfs/dbraw/zinc/06/29/18/1346062918.db2.gz FKWGRLDYYCDTTJ-SJLPKXTDSA-N 2 1 347.503 3.068 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001043351349 1346168744 /nfs/dbraw/zinc/16/87/44/1346168744.db2.gz FNVXFAZYFMDDGL-HXUWFJFHSA-N 2 1 348.450 3.242 20 0 EGADMP CN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1C[NH+](CC2CCCCCC2)C1 ZINC001044034163 1346237127 /nfs/dbraw/zinc/23/71/27/1346237127.db2.gz GIKBEXFAIKFQHS-UYAOXDASSA-N 2 1 347.547 3.116 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C[C@H]1C ZINC001044863198 1346448491 /nfs/dbraw/zinc/44/84/91/1346448491.db2.gz FZRUJMNMXMCEDY-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001045068774 1346489394 /nfs/dbraw/zinc/48/93/94/1346489394.db2.gz QINOCNFQKKWASV-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001045100067 1346495186 /nfs/dbraw/zinc/49/51/86/1346495186.db2.gz RZBQHVOVYKIWNF-SFHVURJKSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045322576 1346559757 /nfs/dbraw/zinc/55/97/57/1346559757.db2.gz QHSHNLOYUBTHGM-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001045385124 1346579972 /nfs/dbraw/zinc/57/99/72/1346579972.db2.gz FRJAJEDAJIKLJA-HKUYNNGSSA-N 2 1 343.515 3.121 20 0 EGADMP CC(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001045441628 1346594633 /nfs/dbraw/zinc/59/46/33/1346594633.db2.gz IHOYGROFMGBDEY-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045937717 1346773874 /nfs/dbraw/zinc/77/38/74/1346773874.db2.gz INIXDCHUTFWZMA-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045937717 1346773876 /nfs/dbraw/zinc/77/38/76/1346773876.db2.gz INIXDCHUTFWZMA-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001045937717 1346773879 /nfs/dbraw/zinc/77/38/79/1346773879.db2.gz INIXDCHUTFWZMA-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045942965 1346778231 /nfs/dbraw/zinc/77/82/31/1346778231.db2.gz DKZWEOGACCOSAD-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](C(C)C)C2)C1 ZINC001045949745 1346785035 /nfs/dbraw/zinc/78/50/35/1346785035.db2.gz ONMZFDVRQADTEC-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001045949745 1346785038 /nfs/dbraw/zinc/78/50/38/1346785038.db2.gz ONMZFDVRQADTEC-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001045949745 1346785041 /nfs/dbraw/zinc/78/50/41/1346785041.db2.gz ONMZFDVRQADTEC-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045951010 1346785984 /nfs/dbraw/zinc/78/59/84/1346785984.db2.gz RJXPJCMNETZJOE-HXUWFJFHSA-N 2 1 347.547 3.120 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001045972564 1346808850 /nfs/dbraw/zinc/80/88/50/1346808850.db2.gz DSXSKEOASMAEHB-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001045972564 1346808853 /nfs/dbraw/zinc/80/88/53/1346808853.db2.gz DSXSKEOASMAEHB-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001045972564 1346808856 /nfs/dbraw/zinc/80/88/56/1346808856.db2.gz DSXSKEOASMAEHB-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045984758 1346825226 /nfs/dbraw/zinc/82/52/26/1346825226.db2.gz IFUHARCGYVZLPA-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001045984758 1346825228 /nfs/dbraw/zinc/82/52/28/1346825228.db2.gz IFUHARCGYVZLPA-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001045984758 1346825231 /nfs/dbraw/zinc/82/52/31/1346825231.db2.gz IFUHARCGYVZLPA-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045984757 1346825378 /nfs/dbraw/zinc/82/53/78/1346825378.db2.gz IFUHARCGYVZLPA-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001045984757 1346825381 /nfs/dbraw/zinc/82/53/81/1346825381.db2.gz IFUHARCGYVZLPA-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045984757 1346825382 /nfs/dbraw/zinc/82/53/82/1346825382.db2.gz IFUHARCGYVZLPA-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046318369 1346932974 /nfs/dbraw/zinc/93/29/74/1346932974.db2.gz KUJDOQKAJAHRAT-WIYYLYMNSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046318369 1346932976 /nfs/dbraw/zinc/93/29/76/1346932976.db2.gz KUJDOQKAJAHRAT-WIYYLYMNSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046318369 1346932978 /nfs/dbraw/zinc/93/29/78/1346932978.db2.gz KUJDOQKAJAHRAT-WIYYLYMNSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@]2(C)CC[N@@H+](CCC(C)(C)C)C2)c1 ZINC001046852960 1347130350 /nfs/dbraw/zinc/13/03/50/1347130350.db2.gz RIHGQMPQFARKHG-OAQYLSRUSA-N 2 1 345.531 3.379 20 0 EGADMP CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001047240950 1347267068 /nfs/dbraw/zinc/26/70/68/1347267068.db2.gz LYMCNXBYNXJZDA-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001079687170 1357348227 /nfs/dbraw/zinc/34/82/27/1357348227.db2.gz KFKGYFKKLRDGBS-MISYRCLQSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C ZINC001079687170 1357348231 /nfs/dbraw/zinc/34/82/31/1357348231.db2.gz KFKGYFKKLRDGBS-MISYRCLQSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C ZINC001079687170 1357348237 /nfs/dbraw/zinc/34/82/37/1357348237.db2.gz KFKGYFKKLRDGBS-MISYRCLQSA-N 2 1 347.547 3.186 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079723697 1357357596 /nfs/dbraw/zinc/35/75/96/1357357596.db2.gz FPVBQBIHIZFLFS-HNBVOPMISA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079723697 1357357604 /nfs/dbraw/zinc/35/76/04/1357357604.db2.gz FPVBQBIHIZFLFS-HNBVOPMISA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079723697 1357357608 /nfs/dbraw/zinc/35/76/08/1357357608.db2.gz FPVBQBIHIZFLFS-HNBVOPMISA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001048524822 1347577467 /nfs/dbraw/zinc/57/74/67/1347577467.db2.gz ANBALUVDHWKAFD-RDGPPVDQSA-N 2 1 335.536 3.019 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001048524822 1347577469 /nfs/dbraw/zinc/57/74/69/1347577469.db2.gz ANBALUVDHWKAFD-RDGPPVDQSA-N 2 1 335.536 3.019 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001048524822 1347577471 /nfs/dbraw/zinc/57/74/71/1347577471.db2.gz ANBALUVDHWKAFD-RDGPPVDQSA-N 2 1 335.536 3.019 20 0 EGADMP CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001048525193 1347577545 /nfs/dbraw/zinc/57/75/45/1347577545.db2.gz ONVCMCYODZDNQU-XEYPJELSSA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001048525193 1347577550 /nfs/dbraw/zinc/57/75/50/1347577550.db2.gz ONVCMCYODZDNQU-XEYPJELSSA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001048525193 1347577552 /nfs/dbraw/zinc/57/75/52/1347577552.db2.gz ONVCMCYODZDNQU-XEYPJELSSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001048556949 1347591656 /nfs/dbraw/zinc/59/16/56/1347591656.db2.gz ZDMLWLUWNSYCLM-FSGKZVOOSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001048556949 1347591658 /nfs/dbraw/zinc/59/16/58/1347591658.db2.gz ZDMLWLUWNSYCLM-FSGKZVOOSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001048556949 1347591661 /nfs/dbraw/zinc/59/16/61/1347591661.db2.gz ZDMLWLUWNSYCLM-FSGKZVOOSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510323 1347884971 /nfs/dbraw/zinc/88/49/71/1347884971.db2.gz DWAKCIFVYLIZCN-IRXDYDNUSA-N 2 1 349.544 3.145 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510323 1347884972 /nfs/dbraw/zinc/88/49/72/1347884972.db2.gz DWAKCIFVYLIZCN-IRXDYDNUSA-N 2 1 349.544 3.145 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCCC2CCC2)CCC1 ZINC001049516762 1347887610 /nfs/dbraw/zinc/88/76/10/1347887610.db2.gz FSHAVOMQYJQOGP-RTBURBONSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCC2CCCC2)CCC1 ZINC001049517670 1347888347 /nfs/dbraw/zinc/88/83/47/1347888347.db2.gz LUQXJRAXESVTFW-RTBURBONSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049520812 1347889664 /nfs/dbraw/zinc/88/96/64/1347889664.db2.gz DYWUYCQBYSWYJJ-SLFFLAALSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001049520812 1347889667 /nfs/dbraw/zinc/88/96/67/1347889667.db2.gz DYWUYCQBYSWYJJ-SLFFLAALSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001049520812 1347889670 /nfs/dbraw/zinc/88/96/70/1347889670.db2.gz DYWUYCQBYSWYJJ-SLFFLAALSA-N 2 1 349.563 3.361 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CC1 ZINC001049564702 1347912224 /nfs/dbraw/zinc/91/22/24/1347912224.db2.gz PLFFLNHNWBDEST-RTBURBONSA-N 2 1 347.547 3.115 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC001049564702 1347912226 /nfs/dbraw/zinc/91/22/26/1347912226.db2.gz PLFFLNHNWBDEST-RTBURBONSA-N 2 1 347.547 3.115 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC001049564702 1347912229 /nfs/dbraw/zinc/91/22/29/1347912229.db2.gz PLFFLNHNWBDEST-RTBURBONSA-N 2 1 347.547 3.115 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049711308 1347986119 /nfs/dbraw/zinc/98/61/19/1347986119.db2.gz LXFODVMGRSRKIJ-CEXWTWQISA-N 2 1 337.552 3.074 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001049713326 1347987981 /nfs/dbraw/zinc/98/79/81/1347987981.db2.gz XURMQOPRIRGFCA-GUDVDZBRSA-N 2 1 349.563 3.074 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC1CCC1 ZINC001049725180 1347991594 /nfs/dbraw/zinc/99/15/94/1347991594.db2.gz VSJKHPNRIXJUSD-YZGWKJHDSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC1CCC1 ZINC001049725180 1347991595 /nfs/dbraw/zinc/99/15/95/1347991595.db2.gz VSJKHPNRIXJUSD-YZGWKJHDSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCC1CCC1 ZINC001049725180 1347991598 /nfs/dbraw/zinc/99/15/98/1347991598.db2.gz VSJKHPNRIXJUSD-YZGWKJHDSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049764653 1348009386 /nfs/dbraw/zinc/00/93/86/1348009386.db2.gz DVMPEZHVMBOZSD-IPMKNSEASA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049768391 1348011440 /nfs/dbraw/zinc/01/14/40/1348011440.db2.gz WCRSKUATQBTIRQ-GUDVDZBRSA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001049768391 1348011444 /nfs/dbraw/zinc/01/14/44/1348011444.db2.gz WCRSKUATQBTIRQ-GUDVDZBRSA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001049768391 1348011447 /nfs/dbraw/zinc/01/14/47/1348011447.db2.gz WCRSKUATQBTIRQ-GUDVDZBRSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049821177 1348038005 /nfs/dbraw/zinc/03/80/05/1348038005.db2.gz UFBNJMGCUFUALJ-VQTJNVASSA-N 2 1 347.547 3.138 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049912857 1348108253 /nfs/dbraw/zinc/10/82/53/1348108253.db2.gz PHQIVNDSOHYXOS-PMACEKPBSA-N 2 1 343.515 3.227 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049919231 1348112007 /nfs/dbraw/zinc/11/20/07/1348112007.db2.gz OBIICRWHTVZVPH-WOJBJXKFSA-N 2 1 343.515 3.227 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21)[NH+](C)C ZINC001050076263 1348174122 /nfs/dbraw/zinc/17/41/22/1348174122.db2.gz XJGYJTKXPGQZTH-XUVXKRRUSA-N 2 1 347.547 3.140 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)CC ZINC001050253262 1348219224 /nfs/dbraw/zinc/21/92/24/1348219224.db2.gz GRZSWUKALLOQHS-HXUWFJFHSA-N 2 1 345.531 3.409 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@H+](C)CC ZINC001050253262 1348219226 /nfs/dbraw/zinc/21/92/26/1348219226.db2.gz GRZSWUKALLOQHS-HXUWFJFHSA-N 2 1 345.531 3.409 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+](C)CC ZINC001050253262 1348219228 /nfs/dbraw/zinc/21/92/28/1348219228.db2.gz GRZSWUKALLOQHS-HXUWFJFHSA-N 2 1 345.531 3.409 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001050253656 1348219550 /nfs/dbraw/zinc/21/95/50/1348219550.db2.gz MSIDIMABPFCLSS-PXNSSMCTSA-N 2 1 345.531 3.263 20 0 EGADMP C[C@@H]([NH2+]CC1CCCC1)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001050272102 1348224617 /nfs/dbraw/zinc/22/46/17/1348224617.db2.gz CNJQNSCDZVYRMW-UZLBHIALSA-N 2 1 343.515 3.095 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCC3)CC2)C1 ZINC001050366525 1348240168 /nfs/dbraw/zinc/24/01/68/1348240168.db2.gz UISBZDUVVHNJCI-WGSAOQKQSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001079849512 1357400761 /nfs/dbraw/zinc/40/07/61/1357400761.db2.gz UARPZIKGIFFMEC-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C ZINC001079849512 1357400766 /nfs/dbraw/zinc/40/07/66/1357400766.db2.gz UARPZIKGIFFMEC-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C ZINC001079849512 1357400769 /nfs/dbraw/zinc/40/07/69/1357400769.db2.gz UARPZIKGIFFMEC-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001050765451 1348352194 /nfs/dbraw/zinc/35/21/94/1348352194.db2.gz QMGMUPKQMQXOJA-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001050766587 1348352658 /nfs/dbraw/zinc/35/26/58/1348352658.db2.gz SDIKBRKAXYNQDW-HDICACEKSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CC3CCCCCC3)CC2)CC[N@H+]1C ZINC001052392353 1348538995 /nfs/dbraw/zinc/53/89/95/1348538995.db2.gz WPNLXFUNFOKPIX-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](CC3CCCCCC3)CC2)CC[NH+]1C ZINC001052392353 1348538997 /nfs/dbraw/zinc/53/89/97/1348538997.db2.gz WPNLXFUNFOKPIX-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC3CCCCCC3)CC2)CC[NH+]1C ZINC001052392353 1348538998 /nfs/dbraw/zinc/53/89/98/1348538998.db2.gz WPNLXFUNFOKPIX-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001052498675 1348559497 /nfs/dbraw/zinc/55/94/97/1348559497.db2.gz JFFHMTUUEXANDW-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001052498675 1348559499 /nfs/dbraw/zinc/55/94/99/1348559499.db2.gz JFFHMTUUEXANDW-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001052498675 1348559501 /nfs/dbraw/zinc/55/95/01/1348559501.db2.gz JFFHMTUUEXANDW-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001052499567 1348560163 /nfs/dbraw/zinc/56/01/63/1348560163.db2.gz YHECPJJACGBOCL-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC001052499567 1348560165 /nfs/dbraw/zinc/56/01/65/1348560165.db2.gz YHECPJJACGBOCL-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC001052499567 1348560166 /nfs/dbraw/zinc/56/01/66/1348560166.db2.gz YHECPJJACGBOCL-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](CCC(C)C)CC2)C1 ZINC001052651923 1348614309 /nfs/dbraw/zinc/61/43/09/1348614309.db2.gz PBRMXIUECAYEGX-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@H+](CCC(C)C)CC2)C1 ZINC001052651923 1348614312 /nfs/dbraw/zinc/61/43/12/1348614312.db2.gz PBRMXIUECAYEGX-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@@H+](CCC(C)C)CC2)C1 ZINC001052651923 1348614314 /nfs/dbraw/zinc/61/43/14/1348614314.db2.gz PBRMXIUECAYEGX-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CCC3CCCCC3)CC2)C1 ZINC001052712515 1348644949 /nfs/dbraw/zinc/64/49/49/1348644949.db2.gz JOZQYBHJUNAYDR-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCC3CCCCC3)CC2)C1 ZINC001052712515 1348644950 /nfs/dbraw/zinc/64/49/50/1348644950.db2.gz JOZQYBHJUNAYDR-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCC3CCCCC3)CC2)C1 ZINC001052712515 1348644953 /nfs/dbraw/zinc/64/49/53/1348644953.db2.gz JOZQYBHJUNAYDR-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052717765 1348646799 /nfs/dbraw/zinc/64/67/99/1348646799.db2.gz ZFOXSDOWWNHRRU-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001052717765 1348646802 /nfs/dbraw/zinc/64/68/02/1348646802.db2.gz ZFOXSDOWWNHRRU-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001052717765 1348646804 /nfs/dbraw/zinc/64/68/04/1348646804.db2.gz ZFOXSDOWWNHRRU-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052758120 1348666307 /nfs/dbraw/zinc/66/63/07/1348666307.db2.gz QZUDEJXFHPWDEZ-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052758120 1348666311 /nfs/dbraw/zinc/66/63/11/1348666311.db2.gz QZUDEJXFHPWDEZ-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052766662 1348671090 /nfs/dbraw/zinc/67/10/90/1348671090.db2.gz KCJKLUDMWRBNSY-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCCC2CCCC2)CC1)C12CC[NH+](CC1)C2 ZINC001052870974 1348711377 /nfs/dbraw/zinc/71/13/77/1348711377.db2.gz AFIREXIFMDBRNV-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2CCCCCC2)CC1)C12CC[NH+](CC1)C2 ZINC001052872020 1348712375 /nfs/dbraw/zinc/71/23/75/1348712375.db2.gz ULEPMQSLTBVJOX-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](CCC3CC3)CC2)c1 ZINC001052954129 1348768441 /nfs/dbraw/zinc/76/84/41/1348768441.db2.gz LKYLCRNJTJAARY-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](C/C=C\Cl)CC2)c1 ZINC001052954156 1348768624 /nfs/dbraw/zinc/76/86/24/1348768624.db2.gz LVDDZWQJIMYPCA-CXKPLTABSA-N 2 1 349.906 3.085 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC001052959737 1348773058 /nfs/dbraw/zinc/77/30/58/1348773058.db2.gz XETNYAIZTXHEIR-ACAQERRYSA-N 2 1 349.906 3.085 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096767 1348926949 /nfs/dbraw/zinc/92/69/49/1348926949.db2.gz ZIOSRBXUDIDRDG-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@@H+](CC)C3)C2)o1 ZINC001054246751 1349241929 /nfs/dbraw/zinc/24/19/29/1349241929.db2.gz INGQHGPCIWZFGS-FQEVSTJZSA-N 2 1 347.503 3.069 20 0 EGADMP Cc1cc(Cl)c(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001235040706 1376839148 /nfs/dbraw/zinc/83/91/48/1376839148.db2.gz NEPGHGBYGTURIO-MLGOLLRUSA-N 2 1 329.271 3.112 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC3CCC3)C[C@H]2C)CC1 ZINC001080700129 1357723499 /nfs/dbraw/zinc/72/34/99/1357723499.db2.gz NHBBKXFMUZXYNY-YLJYHZDGSA-N 2 1 349.563 3.124 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCC(C)(C)C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085985184 1358936914 /nfs/dbraw/zinc/93/69/14/1358936914.db2.gz VJBVCFDQRLJIOS-LJQANCHMSA-N 2 1 345.531 3.331 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[N@H+]1CCC(C)(C)C ZINC001071606016 1354792480 /nfs/dbraw/zinc/79/24/80/1354792480.db2.gz FJMNTGQGRWSJHG-ROUUACIJSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071628181 1354812097 /nfs/dbraw/zinc/81/20/97/1354812097.db2.gz NYTNFVIZPOTYBL-NVXWUHKLSA-N 2 1 340.471 3.192 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@H+]1CC1CCCC1 ZINC001071682965 1354850348 /nfs/dbraw/zinc/85/03/48/1354850348.db2.gz VIHQVBUSBFZFHB-QAPCUYQASA-N 2 1 340.471 3.107 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CCC(C)(C)C ZINC001071821059 1354960601 /nfs/dbraw/zinc/96/06/01/1354960601.db2.gz ITGYNXAUTVRFMK-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CCC(C)(C)C ZINC001071821059 1354960605 /nfs/dbraw/zinc/96/06/05/1354960605.db2.gz ITGYNXAUTVRFMK-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CCC(C)(C)C ZINC001071821059 1354960608 /nfs/dbraw/zinc/96/06/08/1354960608.db2.gz ITGYNXAUTVRFMK-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001071920481 1355025958 /nfs/dbraw/zinc/02/59/58/1355025958.db2.gz SCOFZWFQDLZQHG-QUCCMNQESA-N 2 1 347.547 3.188 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCC3CCCC3)C2)CC1 ZINC001071930350 1355030197 /nfs/dbraw/zinc/03/01/97/1355030197.db2.gz CXBXJHHTRAQSCZ-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071953778 1355039382 /nfs/dbraw/zinc/03/93/82/1355039382.db2.gz FMQOINZQACMDJP-PKOBYXMFSA-N 2 1 337.552 3.122 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC2CCC2)C1 ZINC001074056051 1356059308 /nfs/dbraw/zinc/05/93/08/1356059308.db2.gz WSXXXTOOVRAHOP-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CCC2)C1 ZINC001074056051 1356059310 /nfs/dbraw/zinc/05/93/10/1356059310.db2.gz WSXXXTOOVRAHOP-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CCC2)C1 ZINC001074056051 1356059313 /nfs/dbraw/zinc/05/93/13/1356059313.db2.gz WSXXXTOOVRAHOP-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CC2CCCCC2)C1 ZINC001074064766 1356062643 /nfs/dbraw/zinc/06/26/43/1356062643.db2.gz MNMVKWVJHUWXMS-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CCCCC2)C1 ZINC001074064766 1356062646 /nfs/dbraw/zinc/06/26/46/1356062646.db2.gz MNMVKWVJHUWXMS-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CCCCC2)C1 ZINC001074064766 1356062650 /nfs/dbraw/zinc/06/26/50/1356062650.db2.gz MNMVKWVJHUWXMS-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2C[N@H+](C)CC)o1 ZINC001074103119 1356086158 /nfs/dbraw/zinc/08/61/58/1356086158.db2.gz SHEONGPMDMEPFK-MRXNPFEDSA-N 2 1 335.492 3.068 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC(C)(C)C ZINC001099315122 1363745519 /nfs/dbraw/zinc/74/55/19/1363745519.db2.gz BBFUMDORQNUYDN-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C ZINC001099315122 1363745520 /nfs/dbraw/zinc/74/55/20/1363745520.db2.gz BBFUMDORQNUYDN-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C ZINC001099315122 1363745521 /nfs/dbraw/zinc/74/55/21/1363745521.db2.gz BBFUMDORQNUYDN-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C)c1ccccc1 ZINC001082561778 1358057237 /nfs/dbraw/zinc/05/72/37/1358057237.db2.gz PYPUALHOOPHAAD-NSISKUIASA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085352294 1358475936 /nfs/dbraw/zinc/47/59/36/1358475936.db2.gz AMBYYAPDJHCDGB-VAMGGRTRSA-N 2 1 349.563 3.457 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC001085352364 1358475961 /nfs/dbraw/zinc/47/59/61/1358475961.db2.gz DEWMHUHEIHGJQX-QRVBRYPASA-N 2 1 335.536 3.066 20 0 EGADMP CC(C)(C)CCC[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001323336050 1387341594 /nfs/dbraw/zinc/34/15/94/1387341594.db2.gz PBBLWSWRRCCHGK-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001085593138 1358620634 /nfs/dbraw/zinc/62/06/34/1358620634.db2.gz CGFQPSMYLIMFHG-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001085593138 1358620639 /nfs/dbraw/zinc/62/06/39/1358620639.db2.gz CGFQPSMYLIMFHG-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001085593138 1358620641 /nfs/dbraw/zinc/62/06/41/1358620641.db2.gz CGFQPSMYLIMFHG-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2CCCCCC2)CC[N@H+]1C ZINC001085604084 1358627429 /nfs/dbraw/zinc/62/74/29/1358627429.db2.gz WVFYTRNNLLRXPI-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC2CCCCCC2)CC[NH+]1C ZINC001085604084 1358627432 /nfs/dbraw/zinc/62/74/32/1358627432.db2.gz WVFYTRNNLLRXPI-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC2CCCCCC2)CC[NH+]1C ZINC001085604084 1358627434 /nfs/dbraw/zinc/62/74/34/1358627434.db2.gz WVFYTRNNLLRXPI-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001085629316 1358646764 /nfs/dbraw/zinc/64/67/64/1358646764.db2.gz QYEFCWCCXTUDPW-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001085629316 1358646767 /nfs/dbraw/zinc/64/67/67/1358646767.db2.gz QYEFCWCCXTUDPW-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001085629316 1358646768 /nfs/dbraw/zinc/64/67/68/1358646768.db2.gz QYEFCWCCXTUDPW-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCC1CCCCCC1)C(=O)[C@H]1CCCC[NH+]1C ZINC001085675423 1358679709 /nfs/dbraw/zinc/67/97/09/1358679709.db2.gz RZPNCGJRLVTHCG-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C[C@H]1CC[NH+]1CCC1CCCCCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001085675423 1358679713 /nfs/dbraw/zinc/67/97/13/1358679713.db2.gz RZPNCGJRLVTHCG-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C[C@H]1CC[NH+]1CCC1CCCCCC1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001085675423 1358679718 /nfs/dbraw/zinc/67/97/18/1358679718.db2.gz RZPNCGJRLVTHCG-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCC1=CCCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001085695837 1358691750 /nfs/dbraw/zinc/69/17/50/1358691750.db2.gz SNLRTYDJNMJRFB-IBGZPJMESA-N 2 1 345.531 3.038 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085725309 1358714170 /nfs/dbraw/zinc/71/41/70/1358714170.db2.gz SEKYINFNWCMEBH-JXFKEZNVSA-N 2 1 348.450 3.242 20 0 EGADMP CN(C[C@H]1CC[N@@H+]1CC1CCCCC1)C(=O)c1occc1C[NH+](C)C ZINC001085787978 1358762976 /nfs/dbraw/zinc/76/29/76/1358762976.db2.gz BLKQKRZIMUMWJW-GOSISDBHSA-N 2 1 347.503 3.068 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CC1CCCCC1)C(=O)c1occc1C[NH+](C)C ZINC001085787978 1358762980 /nfs/dbraw/zinc/76/29/80/1358762980.db2.gz BLKQKRZIMUMWJW-GOSISDBHSA-N 2 1 347.503 3.068 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001085855890 1358822208 /nfs/dbraw/zinc/82/22/08/1358822208.db2.gz LZHIQLFOVNFHCJ-RBUKOAKNSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001085855890 1358822213 /nfs/dbraw/zinc/82/22/13/1358822213.db2.gz LZHIQLFOVNFHCJ-RBUKOAKNSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001085855890 1358822217 /nfs/dbraw/zinc/82/22/17/1358822217.db2.gz LZHIQLFOVNFHCJ-RBUKOAKNSA-N 2 1 349.563 3.218 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001183870042 1387364170 /nfs/dbraw/zinc/36/41/70/1387364170.db2.gz YTCJSMGHTPZDRC-PWBPZBFBSA-N 2 1 335.536 3.044 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CC1CCCC1)C(=O)c1ccccc1C[NH+](C)C ZINC001085987067 1358938909 /nfs/dbraw/zinc/93/89/09/1358938909.db2.gz SYSNGXINZOROHU-IBGZPJMESA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001086085077 1358991765 /nfs/dbraw/zinc/99/17/65/1358991765.db2.gz RCIJUCAMSHNHIU-ZCNNSNEGSA-N 2 1 349.563 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086102477 1358997663 /nfs/dbraw/zinc/99/76/63/1358997663.db2.gz YLITVCQSWXQZQG-RAUXBKROSA-N 2 1 343.515 3.106 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001086122779 1359002930 /nfs/dbraw/zinc/00/29/30/1359002930.db2.gz YFHLATGNBKQEMJ-JYBIWHBTSA-N 2 1 343.515 3.025 20 0 EGADMP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001086221682 1359031636 /nfs/dbraw/zinc/03/16/36/1359031636.db2.gz FMVYAJQJJNDVOM-IYWMVGAKSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086364479 1359078658 /nfs/dbraw/zinc/07/86/58/1359078658.db2.gz GSGXMBDJKHNYJN-LFGUQSLTSA-N 2 1 343.515 3.105 20 0 EGADMP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001086387650 1359084531 /nfs/dbraw/zinc/08/45/31/1359084531.db2.gz NPRFEDJDHWQZON-QWFCFKBJSA-N 2 1 347.547 3.068 20 0 EGADMP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001086399731 1359087625 /nfs/dbraw/zinc/08/76/25/1359087625.db2.gz KMEFKFOFDRQYFF-UAFMIMERSA-N 2 1 347.547 3.068 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086558652 1359145039 /nfs/dbraw/zinc/14/50/39/1359145039.db2.gz GUSCUJYSEOQHTB-ZULIPRJHSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927402 1359252599 /nfs/dbraw/zinc/25/25/99/1359252599.db2.gz AMCIBMWDNAMRSH-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087306512 1359392894 /nfs/dbraw/zinc/39/28/94/1359392894.db2.gz JWRUFRSMBOCTBQ-HOJAQTOUSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1CC ZINC001087593571 1359547299 /nfs/dbraw/zinc/54/72/99/1359547299.db2.gz LTNILIZXAPJOEQ-XUVXKRRUSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1CC ZINC001087593571 1359547302 /nfs/dbraw/zinc/54/73/02/1359547302.db2.gz LTNILIZXAPJOEQ-XUVXKRRUSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1CC ZINC001087593571 1359547304 /nfs/dbraw/zinc/54/73/04/1359547304.db2.gz LTNILIZXAPJOEQ-XUVXKRRUSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCCC1CCCC1 ZINC001087711658 1359604211 /nfs/dbraw/zinc/60/42/11/1359604211.db2.gz QGHLIOIGHQYYFQ-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CCCC1CCCC1 ZINC001087796894 1359650917 /nfs/dbraw/zinc/65/09/17/1359650917.db2.gz QDMAZQLMLHLODG-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CCCC1CCCC1 ZINC001087796894 1359650920 /nfs/dbraw/zinc/65/09/20/1359650920.db2.gz QDMAZQLMLHLODG-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCCC1CCCC1 ZINC001087796894 1359650923 /nfs/dbraw/zinc/65/09/23/1359650923.db2.gz QDMAZQLMLHLODG-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCC3CCCC3)CC[C@@H]2C1)[NH+](C)C ZINC001088109741 1359759182 /nfs/dbraw/zinc/75/91/82/1359759182.db2.gz WGYZJPYHEKUKLA-AABGKKOBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001088323759 1359830626 /nfs/dbraw/zinc/83/06/26/1359830626.db2.gz YDHSJLJOJRZEDN-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CCCCC[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC001088380730 1359863917 /nfs/dbraw/zinc/86/39/17/1359863917.db2.gz NXYICVKLGAJGBG-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1 ZINC001088394544 1359870894 /nfs/dbraw/zinc/87/08/94/1359870894.db2.gz JBSFNWUQFKIMMC-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622093 1359993815 /nfs/dbraw/zinc/99/38/15/1359993815.db2.gz HCXFGGLSXDKUOE-LSTHTHJFSA-N 2 1 349.563 3.409 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088622093 1359993817 /nfs/dbraw/zinc/99/38/17/1359993817.db2.gz HCXFGGLSXDKUOE-LSTHTHJFSA-N 2 1 349.563 3.409 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088622093 1359993821 /nfs/dbraw/zinc/99/38/21/1359993821.db2.gz HCXFGGLSXDKUOE-LSTHTHJFSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897686 1360096991 /nfs/dbraw/zinc/09/69/91/1360096991.db2.gz SQKOJYGKKAPIOB-SQNIBIBYSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897324 1360097004 /nfs/dbraw/zinc/09/70/04/1360097004.db2.gz DZEXETICKANAQR-HBFSDRIKSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2C[NH+](C)CC2=CCCCC2)C1 ZINC001089227407 1360268460 /nfs/dbraw/zinc/26/84/60/1360268460.db2.gz UGXYJEPSIZBQPJ-QUCCMNQESA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCCC[C@H]2C[N@H+](C)CC2=CCCCC2)C1 ZINC001089227407 1360268468 /nfs/dbraw/zinc/26/84/68/1360268468.db2.gz UGXYJEPSIZBQPJ-QUCCMNQESA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCCC[C@H]2C[N@@H+](C)CC2=CCCCC2)C1 ZINC001089227407 1360268473 /nfs/dbraw/zinc/26/84/73/1360268473.db2.gz UGXYJEPSIZBQPJ-QUCCMNQESA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCC[C@H]1C[NH+](C)CC1CCCCC1 ZINC001089227116 1360268774 /nfs/dbraw/zinc/26/87/74/1360268774.db2.gz QGRFTJNZDDQUFM-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCCCC1 ZINC001089227116 1360268778 /nfs/dbraw/zinc/26/87/78/1360268778.db2.gz QGRFTJNZDDQUFM-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCCCC1 ZINC001089227116 1360268782 /nfs/dbraw/zinc/26/87/82/1360268782.db2.gz QGRFTJNZDDQUFM-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCC1)[NH+]1CCCCCC1 ZINC001089236053 1360274657 /nfs/dbraw/zinc/27/46/57/1360274657.db2.gz HQHJCPJDCYSBGL-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406128 1360404483 /nfs/dbraw/zinc/40/44/83/1360404483.db2.gz HQQRXQJWKGNDND-SJORKVTESA-N 2 1 346.519 3.167 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406128 1360404487 /nfs/dbraw/zinc/40/44/87/1360404487.db2.gz HQQRXQJWKGNDND-SJORKVTESA-N 2 1 346.519 3.167 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089446639 1360435607 /nfs/dbraw/zinc/43/56/07/1360435607.db2.gz YNBNLHHDFTZHLM-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477596 1360460210 /nfs/dbraw/zinc/46/02/10/1360460210.db2.gz OAINEUTYEQFZRQ-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477596 1360460212 /nfs/dbraw/zinc/46/02/12/1360460212.db2.gz OAINEUTYEQFZRQ-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477596 1360460214 /nfs/dbraw/zinc/46/02/14/1360460214.db2.gz OAINEUTYEQFZRQ-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089540239 1360497414 /nfs/dbraw/zinc/49/74/14/1360497414.db2.gz SUOCBCYUIUKBEK-INIZCTEOSA-N 2 1 346.519 3.168 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089540239 1360497416 /nfs/dbraw/zinc/49/74/16/1360497416.db2.gz SUOCBCYUIUKBEK-INIZCTEOSA-N 2 1 346.519 3.168 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC(C)(C)C ZINC001089616660 1360537063 /nfs/dbraw/zinc/53/70/63/1360537063.db2.gz MVYMPRSRFMMHQD-SJORKVTESA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C ZINC001089616660 1360537066 /nfs/dbraw/zinc/53/70/66/1360537066.db2.gz MVYMPRSRFMMHQD-SJORKVTESA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C ZINC001089616660 1360537068 /nfs/dbraw/zinc/53/70/68/1360537068.db2.gz MVYMPRSRFMMHQD-SJORKVTESA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC(C)C ZINC001089734862 1360639593 /nfs/dbraw/zinc/63/95/93/1360639593.db2.gz ZFRWZZZBKKOAGT-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(C)C ZINC001089734862 1360639597 /nfs/dbraw/zinc/63/95/97/1360639597.db2.gz ZFRWZZZBKKOAGT-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(C)C ZINC001089734862 1360639601 /nfs/dbraw/zinc/63/96/01/1360639601.db2.gz ZFRWZZZBKKOAGT-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001091267148 1361026315 /nfs/dbraw/zinc/02/63/15/1361026315.db2.gz AVBVZCKNAKJQFR-MHJFOBGBSA-N 2 1 347.547 3.234 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092736131 1361449691 /nfs/dbraw/zinc/44/96/91/1361449691.db2.gz MHKNPSRIWVPZOS-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001092736131 1361449697 /nfs/dbraw/zinc/44/96/97/1361449697.db2.gz MHKNPSRIWVPZOS-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001092736131 1361449704 /nfs/dbraw/zinc/44/97/04/1361449704.db2.gz MHKNPSRIWVPZOS-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC([C@@H]2[N@H+](C(C)C)CC23CCC3)CC1)[NH+](C)C ZINC001093373056 1361582593 /nfs/dbraw/zinc/58/25/93/1361582593.db2.gz IQPCEOZRONVGDI-OALUTQOASA-N 2 1 349.563 3.074 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001184811467 1387543898 /nfs/dbraw/zinc/54/38/98/1387543898.db2.gz XAURLVYJMIJXKE-SJLPKXTDSA-N 2 1 348.535 3.092 20 0 EGADMP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001095863376 1362258140 /nfs/dbraw/zinc/25/81/40/1362258140.db2.gz KXSMYMAFBNVWJP-IKGGRYGDSA-N 2 1 335.536 3.019 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(C)C ZINC001096314533 1362461530 /nfs/dbraw/zinc/46/15/30/1362461530.db2.gz MDRCBGVHLPTPQH-YDZRNGNQSA-N 2 1 335.536 3.019 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C ZINC001096314533 1362461531 /nfs/dbraw/zinc/46/15/31/1362461531.db2.gz MDRCBGVHLPTPQH-YDZRNGNQSA-N 2 1 335.536 3.019 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C ZINC001096314533 1362461534 /nfs/dbraw/zinc/46/15/34/1362461534.db2.gz MDRCBGVHLPTPQH-YDZRNGNQSA-N 2 1 335.536 3.019 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCC2)C1 ZINC001096348438 1362469775 /nfs/dbraw/zinc/46/97/75/1362469775.db2.gz OQWHNKADJMJCKY-ZRNYENFQSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCCC2)C1 ZINC001096348438 1362469778 /nfs/dbraw/zinc/46/97/78/1362469778.db2.gz OQWHNKADJMJCKY-ZRNYENFQSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCCC2)C1 ZINC001096348438 1362469782 /nfs/dbraw/zinc/46/97/82/1362469782.db2.gz OQWHNKADJMJCKY-ZRNYENFQSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001097064134 1362830062 /nfs/dbraw/zinc/83/00/62/1362830062.db2.gz ZTFQAQLWDJRGJY-ZJPYXAASSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001097064134 1362830051 /nfs/dbraw/zinc/83/00/51/1362830051.db2.gz ZTFQAQLWDJRGJY-ZJPYXAASSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001097064134 1362830056 /nfs/dbraw/zinc/83/00/56/1362830056.db2.gz ZTFQAQLWDJRGJY-ZJPYXAASSA-N 2 1 335.536 3.017 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCC2)CC[N@H+]1C ZINC001097100929 1362843148 /nfs/dbraw/zinc/84/31/48/1362843148.db2.gz BWMPLAZVTGUAFG-RUGGUXRKSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCCC2)CC[NH+]1C ZINC001097100929 1362843150 /nfs/dbraw/zinc/84/31/50/1362843150.db2.gz BWMPLAZVTGUAFG-RUGGUXRKSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCCC2)CC[NH+]1C ZINC001097100929 1362843154 /nfs/dbraw/zinc/84/31/54/1362843154.db2.gz BWMPLAZVTGUAFG-RUGGUXRKSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCCC2)CC[N@H+]1C ZINC001097101189 1362843254 /nfs/dbraw/zinc/84/32/54/1362843254.db2.gz HTQISHXDBNYTDO-RUGGUXRKSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCCC2)CC[NH+]1C ZINC001097101189 1362843255 /nfs/dbraw/zinc/84/32/55/1362843255.db2.gz HTQISHXDBNYTDO-RUGGUXRKSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCCC2)CC[NH+]1C ZINC001097101189 1362843258 /nfs/dbraw/zinc/84/32/58/1362843258.db2.gz HTQISHXDBNYTDO-RUGGUXRKSA-N 2 1 347.547 3.019 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCCC2)C1 ZINC001098219467 1363258784 /nfs/dbraw/zinc/25/87/84/1363258784.db2.gz GGFFGCIRKJVXBV-NMLBUPMWSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCCC2)C1 ZINC001098219467 1363258786 /nfs/dbraw/zinc/25/87/86/1363258786.db2.gz GGFFGCIRKJVXBV-NMLBUPMWSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCCC2)C1 ZINC001098219467 1363258790 /nfs/dbraw/zinc/25/87/90/1363258790.db2.gz GGFFGCIRKJVXBV-NMLBUPMWSA-N 2 1 347.547 3.020 20 0 EGADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCCCC1)C2 ZINC001098760951 1363459734 /nfs/dbraw/zinc/45/97/34/1363459734.db2.gz MFSLUGVSFMZFTF-ZVDOUQERSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCCCC1)C2 ZINC001098760951 1363459735 /nfs/dbraw/zinc/45/97/35/1363459735.db2.gz MFSLUGVSFMZFTF-ZVDOUQERSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCCCCC1)C2 ZINC001098760951 1363459739 /nfs/dbraw/zinc/45/97/39/1363459739.db2.gz MFSLUGVSFMZFTF-ZVDOUQERSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCCCC1)C2 ZINC001098760951 1363459742 /nfs/dbraw/zinc/45/97/42/1363459742.db2.gz MFSLUGVSFMZFTF-ZVDOUQERSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1)C1CCCC1 ZINC001098822022 1363482800 /nfs/dbraw/zinc/48/28/00/1363482800.db2.gz VUTXNWVEGJSLCH-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1)C1CCCC1 ZINC001098826694 1363484330 /nfs/dbraw/zinc/48/43/30/1363484330.db2.gz NLODKOXSNLAYPD-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001098976534 1363551289 /nfs/dbraw/zinc/55/12/89/1363551289.db2.gz UZCGEMNRBOSTEE-IBQUMJASSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001098976534 1363551291 /nfs/dbraw/zinc/55/12/91/1363551291.db2.gz UZCGEMNRBOSTEE-IBQUMJASSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001098976534 1363551299 /nfs/dbraw/zinc/55/12/99/1363551299.db2.gz UZCGEMNRBOSTEE-IBQUMJASSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001099121572 1363635532 /nfs/dbraw/zinc/63/55/32/1363635532.db2.gz LTIWJGWXNFQHAW-LXORQPIJSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001099121572 1363635534 /nfs/dbraw/zinc/63/55/34/1363635534.db2.gz LTIWJGWXNFQHAW-LXORQPIJSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001099121572 1363635538 /nfs/dbraw/zinc/63/55/38/1363635538.db2.gz LTIWJGWXNFQHAW-LXORQPIJSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001099121572 1363635541 /nfs/dbraw/zinc/63/55/41/1363635541.db2.gz LTIWJGWXNFQHAW-LXORQPIJSA-N 2 1 349.563 3.434 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C ZINC001099140268 1363650132 /nfs/dbraw/zinc/65/01/32/1363650132.db2.gz UAZFTRBBQOEYMO-QGZVFWFLSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C ZINC001099140268 1363650142 /nfs/dbraw/zinc/65/01/42/1363650142.db2.gz UAZFTRBBQOEYMO-QGZVFWFLSA-N 2 1 348.535 3.235 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099198689 1363687733 /nfs/dbraw/zinc/68/77/33/1363687733.db2.gz DBVGWSPINPVMLR-LKGOPFMKSA-N 2 1 349.563 3.291 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C ZINC001099200243 1363689620 /nfs/dbraw/zinc/68/96/20/1363689620.db2.gz XOSUHFDQKIBVNF-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001099252310 1363714636 /nfs/dbraw/zinc/71/46/36/1363714636.db2.gz UMNBORJHOWRJOP-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](CC)CC ZINC001099276415 1363727572 /nfs/dbraw/zinc/72/75/72/1363727572.db2.gz SIAGKLLMAAFSSD-QZEKMECESA-N 2 1 337.552 3.291 20 0 EGADMP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCC1 ZINC001099309935 1363742386 /nfs/dbraw/zinc/74/23/86/1363742386.db2.gz HBNPLNMEXFZSOT-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001099316268 1363746157 /nfs/dbraw/zinc/74/61/57/1363746157.db2.gz PRBOOZPEOYEGNA-BLGFXRMMSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001099316268 1363746160 /nfs/dbraw/zinc/74/61/60/1363746160.db2.gz PRBOOZPEOYEGNA-BLGFXRMMSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001099316268 1363746161 /nfs/dbraw/zinc/74/61/61/1363746161.db2.gz PRBOOZPEOYEGNA-BLGFXRMMSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001099316270 1363746515 /nfs/dbraw/zinc/74/65/15/1363746515.db2.gz PRBOOZPEOYEGNA-GFOMBABLSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001099316270 1363746517 /nfs/dbraw/zinc/74/65/17/1363746517.db2.gz PRBOOZPEOYEGNA-GFOMBABLSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001099316270 1363746518 /nfs/dbraw/zinc/74/65/18/1363746518.db2.gz PRBOOZPEOYEGNA-GFOMBABLSA-N 2 1 337.552 3.291 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC1)[NH+]1CCCC1 ZINC001099349014 1363765241 /nfs/dbraw/zinc/76/52/41/1363765241.db2.gz NHBZJBHSCZBMOW-OALUTQOASA-N 2 1 349.563 3.124 20 0 EGADMP CC1(C)CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)[N@@H+](CCC2CC2)C1 ZINC001099354124 1363768507 /nfs/dbraw/zinc/76/85/07/1363768507.db2.gz MLJHKSYMZLUKEJ-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC(C)(C)C ZINC001099354203 1363768611 /nfs/dbraw/zinc/76/86/11/1363768611.db2.gz OBPLOFMRVBMBQY-QGZVFWFLSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C ZINC001099354203 1363768614 /nfs/dbraw/zinc/76/86/14/1363768614.db2.gz OBPLOFMRVBMBQY-QGZVFWFLSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C ZINC001099354203 1363768616 /nfs/dbraw/zinc/76/86/16/1363768616.db2.gz OBPLOFMRVBMBQY-QGZVFWFLSA-N 2 1 339.568 3.370 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001100420485 1364108507 /nfs/dbraw/zinc/10/85/07/1364108507.db2.gz JVXVFGSRMMNUDO-SOAGJPPSSA-N 2 1 347.547 3.236 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC1CC([NH2+]CC2CCCC2)C1 ZINC001100468779 1364125645 /nfs/dbraw/zinc/12/56/45/1364125645.db2.gz PXAGZPTXESKNIE-UHFFFAOYSA-N 2 1 349.563 3.314 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001100757728 1364248366 /nfs/dbraw/zinc/24/83/66/1364248366.db2.gz HILBFSBDCCRNKS-UHFFFAOYSA-N 2 1 346.519 3.036 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001100758010 1364248372 /nfs/dbraw/zinc/24/83/72/1364248372.db2.gz RZAFMUNSIIBZKV-WAYWQWQTSA-N 2 1 346.519 3.203 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCC1CC([NH2+]CCC(C)C)C1)c1ccccc1 ZINC001100860001 1364295894 /nfs/dbraw/zinc/29/58/94/1364295894.db2.gz MQGKXIXAPSKRGK-UUKMXZOPSA-N 2 1 345.531 3.210 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001101036066 1364383741 /nfs/dbraw/zinc/38/37/41/1364383741.db2.gz HTTBOVFSOIJUHV-DAWZGUTISA-N 2 1 337.552 3.172 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(C)C)[C@@H](C)C1 ZINC001185318196 1387681333 /nfs/dbraw/zinc/68/13/33/1387681333.db2.gz USYZZJRZAUGPDC-RBUKOAKNSA-N 2 1 339.568 3.229 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(C)C)[C@@H](C)C1 ZINC001185318194 1387681477 /nfs/dbraw/zinc/68/14/77/1387681477.db2.gz USYZZJRZAUGPDC-OALUTQOASA-N 2 1 339.568 3.229 20 0 EGADMP CC[NH2+]CC(C)(C)C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001101580357 1364633208 /nfs/dbraw/zinc/63/32/08/1364633208.db2.gz URHDLYZPUHTIMC-UHFFFAOYSA-N 2 1 348.535 3.271 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C(C)(C)C[NH2+]C[C@@H](C)CC)CC1 ZINC001101591093 1364641770 /nfs/dbraw/zinc/64/17/70/1364641770.db2.gz DZCBXYZRUVAHMF-KRWDZBQOSA-N 2 1 339.568 3.229 20 0 EGADMP CC/C=C/CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001101594652 1364645641 /nfs/dbraw/zinc/64/56/41/1364645641.db2.gz JDMKWCFKRGCTNC-IPLHWJFFSA-N 2 1 349.563 3.149 20 0 EGADMP CC[C@@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001101595990 1364646573 /nfs/dbraw/zinc/64/65/73/1364646573.db2.gz DSFFOBPRXHUPRZ-QGZVFWFLSA-N 2 1 339.568 3.227 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101596303 1364647258 /nfs/dbraw/zinc/64/72/58/1364647258.db2.gz RTACKCQGURAYGC-CALCHBBNSA-N 2 1 349.563 3.124 20 0 EGADMP CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001101597395 1364648394 /nfs/dbraw/zinc/64/83/94/1364648394.db2.gz JDJYUEWPQNWPOZ-IBGZPJMESA-N 2 1 345.531 3.164 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001102021358 1364813925 /nfs/dbraw/zinc/81/39/25/1364813925.db2.gz MXPFSFWNNUPQHT-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H](C)C1 ZINC001102021358 1364813928 /nfs/dbraw/zinc/81/39/28/1364813928.db2.gz MXPFSFWNNUPQHT-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H](C)C1 ZINC001102021358 1364813930 /nfs/dbraw/zinc/81/39/30/1364813930.db2.gz MXPFSFWNNUPQHT-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C)[NH+](CC)CC ZINC001102357855 1365021168 /nfs/dbraw/zinc/02/11/68/1365021168.db2.gz LZZRPAUMWSIURR-QRVBRYPASA-N 2 1 339.568 3.227 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102376984 1365030662 /nfs/dbraw/zinc/03/06/62/1365030662.db2.gz HYIUCPOATUHDGK-SJLPKXTDSA-N 2 1 339.568 3.085 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102376984 1365030667 /nfs/dbraw/zinc/03/06/67/1365030667.db2.gz HYIUCPOATUHDGK-SJLPKXTDSA-N 2 1 339.568 3.085 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102376984 1365030672 /nfs/dbraw/zinc/03/06/72/1365030672.db2.gz HYIUCPOATUHDGK-SJLPKXTDSA-N 2 1 339.568 3.085 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@@H](C)c2cccc(C)c2)C[C@H]1C ZINC001102497161 1365086897 /nfs/dbraw/zinc/08/68/97/1365086897.db2.gz DHXSVGONYUNTTG-WSTZPKSXSA-N 2 1 345.531 3.082 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C)c2)C[C@H]1C ZINC001102497161 1365086899 /nfs/dbraw/zinc/08/68/99/1365086899.db2.gz DHXSVGONYUNTTG-WSTZPKSXSA-N 2 1 345.531 3.082 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2cccc(C)c2)C[C@H]1C ZINC001102497161 1365086903 /nfs/dbraw/zinc/08/69/03/1365086903.db2.gz DHXSVGONYUNTTG-WSTZPKSXSA-N 2 1 345.531 3.082 20 0 EGADMP CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H](C)C1 ZINC001102508680 1365092202 /nfs/dbraw/zinc/09/22/02/1365092202.db2.gz CSYVZNQQUYGNOQ-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CCCC[NH+]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)[C@H](C)C1 ZINC001102508680 1365092203 /nfs/dbraw/zinc/09/22/03/1365092203.db2.gz CSYVZNQQUYGNOQ-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CCCC[NH+]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)[C@H](C)C1 ZINC001102508680 1365092219 /nfs/dbraw/zinc/09/22/19/1365092219.db2.gz CSYVZNQQUYGNOQ-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596815 1365130091 /nfs/dbraw/zinc/13/00/91/1365130091.db2.gz ZDIOEWPXIVKRGJ-UYAOXDASSA-N 2 1 349.563 3.127 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001102600068 1365131481 /nfs/dbraw/zinc/13/14/81/1365131481.db2.gz KPEHHRRFLSUEQP-DSTKZSRVSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC001102600068 1365131483 /nfs/dbraw/zinc/13/14/83/1365131483.db2.gz KPEHHRRFLSUEQP-DSTKZSRVSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H](C)C1 ZINC001102600068 1365131484 /nfs/dbraw/zinc/13/14/84/1365131484.db2.gz KPEHHRRFLSUEQP-DSTKZSRVSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103084051 1365371539 /nfs/dbraw/zinc/37/15/39/1365371539.db2.gz WCSIDYDSYZQLRG-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CCCC(C)C)[C@H](C)C1 ZINC001185550593 1387745911 /nfs/dbraw/zinc/74/59/11/1387745911.db2.gz VKHYXDOKJDHWLN-RTBURBONSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC001185550182 1387745684 /nfs/dbraw/zinc/74/56/84/1387745684.db2.gz TZECZZDWUODHDN-AZUAARDMSA-N 2 1 349.563 3.293 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001103756891 1365766990 /nfs/dbraw/zinc/76/69/90/1365766990.db2.gz FFOVJADEXJBBDD-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001103756891 1365766994 /nfs/dbraw/zinc/76/69/94/1365766994.db2.gz FFOVJADEXJBBDD-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001103756891 1365767002 /nfs/dbraw/zinc/76/70/02/1365767002.db2.gz FFOVJADEXJBBDD-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001103758916 1365767797 /nfs/dbraw/zinc/76/77/97/1365767797.db2.gz YZRFQJZUKKDXBK-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001103758916 1365767799 /nfs/dbraw/zinc/76/77/99/1365767799.db2.gz YZRFQJZUKKDXBK-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001104452516 1366033766 /nfs/dbraw/zinc/03/37/66/1366033766.db2.gz NFVWGRSVWMAOBV-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001104676344 1366127127 /nfs/dbraw/zinc/12/71/27/1366127127.db2.gz GBJSUFGRPSLVCP-IVCWSTDESA-N 2 1 349.563 3.291 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](C)CC(C)C)C1 ZINC001104874246 1366206069 /nfs/dbraw/zinc/20/60/69/1366206069.db2.gz QLLMNPDFLRRDBW-IPMKNSEASA-N 2 1 339.568 3.085 20 0 EGADMP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001105066959 1366304273 /nfs/dbraw/zinc/30/42/73/1366304273.db2.gz HKTHXLPCCKZQLT-AHSYYPKJSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@H](C(=O)N1CCC([C@H]2[N@@H+](CC)CC23CCC3)CC1)[NH+](CC)CC ZINC001105396895 1366445924 /nfs/dbraw/zinc/44/59/24/1366445924.db2.gz YLIROPUBWAZLSP-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001105536722 1366516505 /nfs/dbraw/zinc/51/65/05/1366516505.db2.gz IBSQTLFVUUZSCZ-OALUTQOASA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105544916 1366522088 /nfs/dbraw/zinc/52/20/88/1366522088.db2.gz YSXXMSDPOBTBPX-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)CCC1 ZINC001105563055 1366532350 /nfs/dbraw/zinc/53/23/50/1366532350.db2.gz BWADOWFLOBPIFY-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+](C)CCC)CCC1 ZINC001105575118 1366539991 /nfs/dbraw/zinc/53/99/91/1366539991.db2.gz RMYATHFEQMJTFQ-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106581426 1366742848 /nfs/dbraw/zinc/74/28/48/1366742848.db2.gz CHAQMUSVARZDMX-BSALYMGKSA-N 2 1 349.563 3.147 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CC2)[C@H](C)C1 ZINC001106860382 1366818570 /nfs/dbraw/zinc/81/85/70/1366818570.db2.gz WZTQQPRZWXRRRF-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107484997 1366986674 /nfs/dbraw/zinc/98/66/74/1366986674.db2.gz DKVAJHMXDJFXNR-SVFBPWRDSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)C ZINC001109371635 1367090866 /nfs/dbraw/zinc/09/08/66/1367090866.db2.gz NIVKROSTLJLXHK-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)C ZINC001109371635 1367090869 /nfs/dbraw/zinc/09/08/69/1367090869.db2.gz NIVKROSTLJLXHK-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C ZINC001109371635 1367090875 /nfs/dbraw/zinc/09/08/75/1367090875.db2.gz NIVKROSTLJLXHK-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001109371650 1367090909 /nfs/dbraw/zinc/09/09/09/1367090909.db2.gz NYBNHSQNRYTDTD-YDZRNGNQSA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001109371650 1367090912 /nfs/dbraw/zinc/09/09/12/1367090912.db2.gz NYBNHSQNRYTDTD-YDZRNGNQSA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001109371650 1367090917 /nfs/dbraw/zinc/09/09/17/1367090917.db2.gz NYBNHSQNRYTDTD-YDZRNGNQSA-N 2 1 335.536 3.163 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001109399643 1367104157 /nfs/dbraw/zinc/10/41/57/1367104157.db2.gz QIVAJCVRGLPGGM-FUMNGEBKSA-N 2 1 347.547 3.305 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001109399643 1367104158 /nfs/dbraw/zinc/10/41/58/1367104158.db2.gz QIVAJCVRGLPGGM-FUMNGEBKSA-N 2 1 347.547 3.305 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001109399643 1367104161 /nfs/dbraw/zinc/10/41/61/1367104161.db2.gz QIVAJCVRGLPGGM-FUMNGEBKSA-N 2 1 347.547 3.305 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@H](CC)c3ccccc3)C[C@H]21 ZINC001189923757 1367132876 /nfs/dbraw/zinc/13/28/76/1367132876.db2.gz YJYQXWOMXYPOOO-XUVXKRRUSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+]([C@H](CC)c3ccccc3)C[C@H]21 ZINC001189923757 1367132882 /nfs/dbraw/zinc/13/28/82/1367132882.db2.gz YJYQXWOMXYPOOO-XUVXKRRUSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+]([C@H](CC)c3ccccc3)C[C@H]21 ZINC001189923757 1367132887 /nfs/dbraw/zinc/13/28/87/1367132887.db2.gz YJYQXWOMXYPOOO-XUVXKRRUSA-N 2 1 343.515 3.012 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001109489415 1367155206 /nfs/dbraw/zinc/15/52/06/1367155206.db2.gz VUWDYNMOJNKKSJ-NEWSRXKRSA-N 2 1 340.471 3.250 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCCC2)C1 ZINC001190084748 1367168943 /nfs/dbraw/zinc/16/89/43/1367168943.db2.gz RQSVSHRTPRPJNR-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001190084748 1367168947 /nfs/dbraw/zinc/16/89/47/1367168947.db2.gz RQSVSHRTPRPJNR-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001190084748 1367168952 /nfs/dbraw/zinc/16/89/52/1367168952.db2.gz RQSVSHRTPRPJNR-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190084905 1367170094 /nfs/dbraw/zinc/17/00/94/1367170094.db2.gz TYXVCSMUFKQIAN-ZSQQTYLHSA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190084905 1367170103 /nfs/dbraw/zinc/17/01/03/1367170103.db2.gz TYXVCSMUFKQIAN-ZSQQTYLHSA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084905 1367170111 /nfs/dbraw/zinc/17/01/11/1367170111.db2.gz TYXVCSMUFKQIAN-ZSQQTYLHSA-N 2 1 335.536 3.138 20 0 EGADMP CCc1nccn1[C@H](C)CC(=O)N1CC[C@@H]([N@H+](C)CC(CC)CC)C1 ZINC001190247495 1367208838 /nfs/dbraw/zinc/20/88/38/1367208838.db2.gz PYDIHJFDRJUXQD-SJLPKXTDSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H]([N@@H+](C)CC(CC)CC)C1 ZINC001190247495 1367208840 /nfs/dbraw/zinc/20/88/40/1367208840.db2.gz PYDIHJFDRJUXQD-SJLPKXTDSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H]([N@H+](C)CC(CC)CC)C1 ZINC001190247495 1367208844 /nfs/dbraw/zinc/20/88/44/1367208844.db2.gz PYDIHJFDRJUXQD-SJLPKXTDSA-N 2 1 348.535 3.366 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCCC1 ZINC001109653727 1367265353 /nfs/dbraw/zinc/26/53/53/1367265353.db2.gz DQNOZTRYAPTZAN-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109719665 1367292037 /nfs/dbraw/zinc/29/20/37/1367292037.db2.gz JXALZQZIOQHFNW-YRXWBPOGSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001109719665 1367292041 /nfs/dbraw/zinc/29/20/41/1367292041.db2.gz JXALZQZIOQHFNW-YRXWBPOGSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001109719665 1367292044 /nfs/dbraw/zinc/29/20/44/1367292044.db2.gz JXALZQZIOQHFNW-YRXWBPOGSA-N 2 1 349.563 3.122 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001109932853 1367410944 /nfs/dbraw/zinc/41/09/44/1367410944.db2.gz WFDWGXAARKFZSA-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001109932853 1367410949 /nfs/dbraw/zinc/41/09/49/1367410949.db2.gz WFDWGXAARKFZSA-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001109932853 1367410952 /nfs/dbraw/zinc/41/09/52/1367410952.db2.gz WFDWGXAARKFZSA-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)=CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191060794 1367413529 /nfs/dbraw/zinc/41/35/29/1367413529.db2.gz DKNANTGQJPDVKZ-SFHVURJKSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001191060794 1367413532 /nfs/dbraw/zinc/41/35/32/1367413532.db2.gz DKNANTGQJPDVKZ-SFHVURJKSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001191060794 1367413534 /nfs/dbraw/zinc/41/35/34/1367413534.db2.gz DKNANTGQJPDVKZ-SFHVURJKSA-N 2 1 335.536 3.138 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082184 1367420787 /nfs/dbraw/zinc/42/07/87/1367420787.db2.gz VFOOIQWJZVUBCB-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191082184 1367420789 /nfs/dbraw/zinc/42/07/89/1367420789.db2.gz VFOOIQWJZVUBCB-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191082184 1367420792 /nfs/dbraw/zinc/42/07/92/1367420792.db2.gz VFOOIQWJZVUBCB-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001110007316 1367455401 /nfs/dbraw/zinc/45/54/01/1367455401.db2.gz QMCBLAIWPZIHFF-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191351868 1367482763 /nfs/dbraw/zinc/48/27/63/1367482763.db2.gz NJUJJYOHIBWFHW-SFHVURJKSA-N 2 1 342.487 3.307 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001191515663 1367519456 /nfs/dbraw/zinc/51/94/56/1367519456.db2.gz TYQMRBJPBTUIFL-IBGZPJMESA-N 2 1 345.531 3.127 20 0 EGADMP CC1(C)CC(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+]2CCCC2)C3)C1 ZINC001110148215 1367526173 /nfs/dbraw/zinc/52/61/73/1367526173.db2.gz OEOGAOLKJGZCHW-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110158126 1367530233 /nfs/dbraw/zinc/53/02/33/1367530233.db2.gz IBUMTCVBAOQFMO-FYQPLNBISA-N 2 1 343.515 3.199 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110158126 1367530237 /nfs/dbraw/zinc/53/02/37/1367530237.db2.gz IBUMTCVBAOQFMO-FYQPLNBISA-N 2 1 343.515 3.199 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110158126 1367530240 /nfs/dbraw/zinc/53/02/40/1367530240.db2.gz IBUMTCVBAOQFMO-FYQPLNBISA-N 2 1 343.515 3.199 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001110159778 1367533119 /nfs/dbraw/zinc/53/31/19/1367533119.db2.gz WCHCWDUWGNQOFN-QYZOEREBSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001110159778 1367533122 /nfs/dbraw/zinc/53/31/22/1367533122.db2.gz WCHCWDUWGNQOFN-QYZOEREBSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001110159778 1367533124 /nfs/dbraw/zinc/53/31/24/1367533124.db2.gz WCHCWDUWGNQOFN-QYZOEREBSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161781 1367534696 /nfs/dbraw/zinc/53/46/96/1367534696.db2.gz SRJSFJJWLMULSU-FYQPLNBISA-N 2 1 349.563 3.265 20 0 EGADMP CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001108717427 1367553668 /nfs/dbraw/zinc/55/36/68/1367553668.db2.gz KGKQAWHNXVZEKW-KSZLIROESA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001192656409 1367843620 /nfs/dbraw/zinc/84/36/20/1367843620.db2.gz RZZTZJAZQFSNQW-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CCC(C)(C)C)C2)cc1 ZINC001192849271 1367888010 /nfs/dbraw/zinc/88/80/10/1367888010.db2.gz ZXFUVFOMIKXGQE-LJQANCHMSA-N 2 1 345.531 3.331 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1)C(C)C ZINC001192918387 1367904815 /nfs/dbraw/zinc/90/48/15/1367904815.db2.gz ZKLIFIGTYOYQFE-ZWKOTPCHSA-N 2 1 339.568 3.322 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192947079 1367908644 /nfs/dbraw/zinc/90/86/44/1367908644.db2.gz HLEVZGSYRBFWBO-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2cc(C)ccc2C)C1 ZINC001192946332 1367909265 /nfs/dbraw/zinc/90/92/65/1367909265.db2.gz AQEXDPBHBKETRX-RBUKOAKNSA-N 2 1 345.531 3.239 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001110709920 1367941369 /nfs/dbraw/zinc/94/13/69/1367941369.db2.gz RFYXKMJARXALNI-QRVBRYPASA-N 2 1 347.547 3.164 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001110753998 1367961313 /nfs/dbraw/zinc/96/13/13/1367961313.db2.gz DBROXUCZORGKKW-YSTOQKLRSA-N 2 1 349.563 3.409 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001110753998 1367961324 /nfs/dbraw/zinc/96/13/24/1367961324.db2.gz DBROXUCZORGKKW-YSTOQKLRSA-N 2 1 349.563 3.409 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001110753998 1367961327 /nfs/dbraw/zinc/96/13/27/1367961327.db2.gz DBROXUCZORGKKW-YSTOQKLRSA-N 2 1 349.563 3.409 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193204298 1367966125 /nfs/dbraw/zinc/96/61/25/1367966125.db2.gz FCDJPEJKIIUICK-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193206262 1367966224 /nfs/dbraw/zinc/96/62/24/1367966224.db2.gz YWIKAKKBMMSEFW-WHXUGTBJSA-N 2 1 349.563 3.386 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CC=C(C)C)C1 ZINC001193383697 1368017238 /nfs/dbraw/zinc/01/72/38/1368017238.db2.gz WRONVQVBDSEFTE-RBUKOAKNSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC=C(C)C)C1 ZINC001193383697 1368017243 /nfs/dbraw/zinc/01/72/43/1368017243.db2.gz WRONVQVBDSEFTE-RBUKOAKNSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001193383697 1368017244 /nfs/dbraw/zinc/01/72/44/1368017244.db2.gz WRONVQVBDSEFTE-RBUKOAKNSA-N 2 1 335.536 3.140 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001193389890 1368017366 /nfs/dbraw/zinc/01/73/66/1368017366.db2.gz JGDCDHSRLHCWIH-MOPGFXCFSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001193389890 1368017374 /nfs/dbraw/zinc/01/73/74/1368017374.db2.gz JGDCDHSRLHCWIH-MOPGFXCFSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001193389890 1368017380 /nfs/dbraw/zinc/01/73/80/1368017380.db2.gz JGDCDHSRLHCWIH-MOPGFXCFSA-N 2 1 337.552 3.364 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862193 1368041534 /nfs/dbraw/zinc/04/15/34/1368041534.db2.gz BTJACDGLNIQYOQ-QRVBRYPASA-N 2 1 349.563 3.409 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC001193581029 1368066495 /nfs/dbraw/zinc/06/64/95/1368066495.db2.gz XQBAYJPIFVGIOI-LJQANCHMSA-N 2 1 335.536 3.142 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccc(CC)cc2)C1 ZINC001193609804 1368072791 /nfs/dbraw/zinc/07/27/91/1368072791.db2.gz JIYCGELITYEVRO-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(CC)cc2)C1 ZINC001193609804 1368072796 /nfs/dbraw/zinc/07/27/96/1368072796.db2.gz JIYCGELITYEVRO-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(CC)cc2)C1 ZINC001193609804 1368072799 /nfs/dbraw/zinc/07/27/99/1368072799.db2.gz JIYCGELITYEVRO-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001110959283 1368124602 /nfs/dbraw/zinc/12/46/02/1368124602.db2.gz IGMSXYSYSTWCJI-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC(C)(C)CC1)[NH+](C)C ZINC001111037045 1368146309 /nfs/dbraw/zinc/14/63/09/1368146309.db2.gz HVFNQDVPONLYIQ-YRXWBPOGSA-N 2 1 349.563 3.265 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001111097012 1368157935 /nfs/dbraw/zinc/15/79/35/1368157935.db2.gz GOKZPCBWIXIVLW-SPUOXGIXSA-N 2 1 347.547 3.329 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C)C(C)C ZINC001111164126 1368174050 /nfs/dbraw/zinc/17/40/50/1368174050.db2.gz KGYIXTQVLMHRQQ-AKHDSKFASA-N 2 1 337.552 3.120 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1cccc(C)c1 ZINC001111171585 1368180215 /nfs/dbraw/zinc/18/02/15/1368180215.db2.gz KCKULJPMJCZMGB-AFYVEPGGSA-N 2 1 343.515 3.119 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001111233317 1368209073 /nfs/dbraw/zinc/20/90/73/1368209073.db2.gz MFWYIMYEIIYUKM-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001111233317 1368209076 /nfs/dbraw/zinc/20/90/76/1368209076.db2.gz MFWYIMYEIIYUKM-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001111233317 1368209078 /nfs/dbraw/zinc/20/90/78/1368209078.db2.gz MFWYIMYEIIYUKM-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228044 1368212796 /nfs/dbraw/zinc/21/27/96/1368212796.db2.gz PIWOYIYWLIPABG-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194273896 1368221214 /nfs/dbraw/zinc/22/12/14/1368221214.db2.gz BSLDNDQDGJWMFU-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194274179 1368221853 /nfs/dbraw/zinc/22/18/53/1368221853.db2.gz DIIXCWIIPKGFMX-HEVSSNLLSA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)c1ccccc1C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194292643 1368225922 /nfs/dbraw/zinc/22/59/22/1368225922.db2.gz BDYITSKBGNDGJL-LJQANCHMSA-N 2 1 345.531 3.183 20 0 EGADMP CC(C)c1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194292643 1368225925 /nfs/dbraw/zinc/22/59/25/1368225925.db2.gz BDYITSKBGNDGJL-LJQANCHMSA-N 2 1 345.531 3.183 20 0 EGADMP CC(C)c1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194292643 1368225928 /nfs/dbraw/zinc/22/59/28/1368225928.db2.gz BDYITSKBGNDGJL-LJQANCHMSA-N 2 1 345.531 3.183 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001186362276 1387929560 /nfs/dbraw/zinc/92/95/60/1387929560.db2.gz GDICDCXETBWXPU-LJQANCHMSA-N 2 1 344.503 3.053 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782807 1368460118 /nfs/dbraw/zinc/46/01/18/1368460118.db2.gz ZBXCVJGJSSWZPM-ZJOUEHCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001111782807 1368460119 /nfs/dbraw/zinc/46/01/19/1368460119.db2.gz ZBXCVJGJSSWZPM-ZJOUEHCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001111782807 1368460120 /nfs/dbraw/zinc/46/01/20/1368460120.db2.gz ZBXCVJGJSSWZPM-ZJOUEHCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821573 1368482414 /nfs/dbraw/zinc/48/24/14/1368482414.db2.gz XGCWKSQOVIWMHR-RXVVDRJESA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004796 1368608512 /nfs/dbraw/zinc/60/85/12/1368608512.db2.gz LQHXPBMMKPYRFR-RXVVDRJESA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC[NH+](CC2CCCC2)CC1)C1CCCCC1 ZINC001196641952 1368654086 /nfs/dbraw/zinc/65/40/86/1368654086.db2.gz VFGWJOPEDFJQSJ-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP C[NH+](CCC(=O)N1CCC[N@H+](CC2CCCC2)CC1)C1CCCCC1 ZINC001196641952 1368654088 /nfs/dbraw/zinc/65/40/88/1368654088.db2.gz VFGWJOPEDFJQSJ-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP C[NH+](CCC(=O)N1CCC[N@@H+](CC2CCCC2)CC1)C1CCCCC1 ZINC001196641952 1368654090 /nfs/dbraw/zinc/65/40/90/1368654090.db2.gz VFGWJOPEDFJQSJ-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC[N@@H+](CCC2CCCCCC2)CC1 ZINC001196970762 1368723461 /nfs/dbraw/zinc/72/34/61/1368723461.db2.gz VNSKVUOTGDZUHC-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CC[C@H](C(=O)N1CCC[N@@H+](C[C@@H](C)CC(C)C)CC1)[NH+](CC)CC ZINC001197141330 1368753486 /nfs/dbraw/zinc/75/34/86/1368753486.db2.gz GWXNVOVEERPSRL-RBUKOAKNSA-N 2 1 339.568 3.323 20 0 EGADMP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001112396734 1368822337 /nfs/dbraw/zinc/82/23/37/1368822337.db2.gz BRZMVDCDFBDNBY-ZVDOUQERSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCCC2)C1 ZINC001112436873 1368852559 /nfs/dbraw/zinc/85/25/59/1368852559.db2.gz LSCYXVUVCQUBOS-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@H](C)c2cc(C)ccc2C)CC1 ZINC001197708129 1368877394 /nfs/dbraw/zinc/87/73/94/1368877394.db2.gz WSEUGNNARUBUBL-LJQANCHMSA-N 2 1 345.531 3.241 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@H](C)c2cc(C)ccc2C)CC1 ZINC001197708129 1368877399 /nfs/dbraw/zinc/87/73/99/1368877399.db2.gz WSEUGNNARUBUBL-LJQANCHMSA-N 2 1 345.531 3.241 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[N@H+]([C@H](C)c2cc(C)ccc2C)CC1 ZINC001197708129 1368877405 /nfs/dbraw/zinc/87/74/05/1368877405.db2.gz WSEUGNNARUBUBL-LJQANCHMSA-N 2 1 345.531 3.241 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197879978 1368919133 /nfs/dbraw/zinc/91/91/33/1368919133.db2.gz PVRCHCHVADBRPC-FQEVSTJZSA-N 2 1 345.531 3.404 20 0 EGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCc1nsc2ccccc21 ZINC001197930282 1368926125 /nfs/dbraw/zinc/92/61/25/1368926125.db2.gz PHWJGVADOZXWCM-OAHLLOKOSA-N 2 1 338.480 3.445 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001198229330 1368984236 /nfs/dbraw/zinc/98/42/36/1368984236.db2.gz GLPMINJUQGFBCT-WAYWQWQTSA-N 2 1 343.515 3.252 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001198260074 1368991805 /nfs/dbraw/zinc/99/18/05/1368991805.db2.gz WWFMHXMFEYSIPV-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](C[C@H](C)CC(C)C)CC1 ZINC001198260074 1368991812 /nfs/dbraw/zinc/99/18/12/1368991812.db2.gz WWFMHXMFEYSIPV-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](C[C@H](C)CC(C)C)CC1 ZINC001198260074 1368991816 /nfs/dbraw/zinc/99/18/16/1368991816.db2.gz WWFMHXMFEYSIPV-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001112965054 1369112210 /nfs/dbraw/zinc/11/22/10/1369112210.db2.gz DHNAFDHRCBBHHF-BBIZLLLXSA-N 2 1 347.547 3.284 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001112965054 1369112212 /nfs/dbraw/zinc/11/22/12/1369112212.db2.gz DHNAFDHRCBBHHF-BBIZLLLXSA-N 2 1 347.547 3.284 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](CCC2CCCC2)CC1 ZINC001113438952 1369428872 /nfs/dbraw/zinc/42/88/72/1369428872.db2.gz QXUZKOSHIJMIDD-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP C[NH+]1CC2(C1)CC[NH+](C/C(Br)=C/c1ccccc1)CC2 ZINC001201463801 1369551044 /nfs/dbraw/zinc/55/10/44/1369551044.db2.gz IQYYJLAQVJECNY-WJDWOHSUSA-N 2 1 335.289 3.450 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001201508513 1369560207 /nfs/dbraw/zinc/56/02/07/1369560207.db2.gz GBKZCDVQZNDCKH-SFHVURJKSA-N 2 1 331.504 3.042 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001201705778 1369609018 /nfs/dbraw/zinc/60/90/18/1369609018.db2.gz GERYQJVQRFCYES-LJQANCHMSA-N 2 1 331.504 3.185 20 0 EGADMP CCCCC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001201727258 1369611245 /nfs/dbraw/zinc/61/12/45/1369611245.db2.gz PIVBGJVJZXHUPA-IBGZPJMESA-N 2 1 331.504 3.327 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001201819001 1369629347 /nfs/dbraw/zinc/62/93/47/1369629347.db2.gz ZEZNCNYGRMYZCG-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001202144812 1369700682 /nfs/dbraw/zinc/70/06/82/1369700682.db2.gz KDHKYGQUPLAFIA-OVKVCFKUSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1[C@H]2C[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001114403245 1369933896 /nfs/dbraw/zinc/93/38/96/1369933896.db2.gz PFSCBBPSSIFNKX-XSYGEPLQSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114403245 1369933899 /nfs/dbraw/zinc/93/38/99/1369933899.db2.gz PFSCBBPSSIFNKX-XSYGEPLQSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114403245 1369933903 /nfs/dbraw/zinc/93/39/03/1369933903.db2.gz PFSCBBPSSIFNKX-XSYGEPLQSA-N 2 1 349.563 3.122 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4cccc5nonc54)C3)C2)cc1 ZINC001203137562 1369994910 /nfs/dbraw/zinc/99/49/10/1369994910.db2.gz KGTOQFPZHQASSE-NRFANRHFSA-N 2 1 348.450 3.321 20 0 EGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4cccc5nonc54)C3)C2)cc1 ZINC001203137562 1369994912 /nfs/dbraw/zinc/99/49/12/1369994912.db2.gz KGTOQFPZHQASSE-NRFANRHFSA-N 2 1 348.450 3.321 20 0 EGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4cccc5nonc54)C3)C2)cc1 ZINC001203137562 1369994916 /nfs/dbraw/zinc/99/49/16/1369994916.db2.gz KGTOQFPZHQASSE-NRFANRHFSA-N 2 1 348.450 3.321 20 0 EGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4cccc5nonc54)C3)C2)cc1 ZINC001203137562 1369994919 /nfs/dbraw/zinc/99/49/19/1369994919.db2.gz KGTOQFPZHQASSE-NRFANRHFSA-N 2 1 348.450 3.321 20 0 EGADMP CCc1[nH]c(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)[nH+]1 ZINC001203248424 1370039559 /nfs/dbraw/zinc/03/95/59/1370039559.db2.gz SGURZZIHUUSPPS-MOPGFXCFSA-N 2 1 338.499 3.234 20 0 EGADMP CCc1[nH]c(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(C)[nH+]1 ZINC001203248424 1370039562 /nfs/dbraw/zinc/03/95/62/1370039562.db2.gz SGURZZIHUUSPPS-MOPGFXCFSA-N 2 1 338.499 3.234 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+][C@H](C)c2ccccc2C)CC1 ZINC001203431907 1370123227 /nfs/dbraw/zinc/12/32/27/1370123227.db2.gz VCDBKCGBCVYCDI-GOSISDBHSA-N 2 1 345.531 3.369 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001114921336 1370150320 /nfs/dbraw/zinc/15/03/20/1370150320.db2.gz KXQYEPGIUQQKAV-MAHPJUCHSA-N 2 1 347.547 3.042 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2C(NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001114921336 1370150323 /nfs/dbraw/zinc/15/03/23/1370150323.db2.gz KXQYEPGIUQQKAV-MAHPJUCHSA-N 2 1 347.547 3.042 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2C(NC(=O)[C@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001114921336 1370150324 /nfs/dbraw/zinc/15/03/24/1370150324.db2.gz KXQYEPGIUQQKAV-MAHPJUCHSA-N 2 1 347.547 3.042 20 0 EGADMP CCOc1ccccc1CN1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001203537486 1370160369 /nfs/dbraw/zinc/16/03/69/1370160369.db2.gz VXAWOLGPVRENLW-PMACEKPBSA-N 2 1 337.467 3.044 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203578166 1370177242 /nfs/dbraw/zinc/17/72/42/1370177242.db2.gz ULWMLONBWOOWDX-RBUKOAKNSA-N 2 1 349.563 3.316 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203651914 1370202109 /nfs/dbraw/zinc/20/21/09/1370202109.db2.gz QPDKEWJUZOIPOC-BTFXCVNISA-N 2 1 335.536 3.092 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203731415 1370239034 /nfs/dbraw/zinc/23/90/34/1370239034.db2.gz OMQMUHQYEGSYIZ-DLBZAZTESA-N 2 1 346.519 3.035 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203791546 1370265958 /nfs/dbraw/zinc/26/59/58/1370265958.db2.gz JRUMMWPBGOQNEW-OALUTQOASA-N 2 1 349.563 3.314 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001115104375 1370282053 /nfs/dbraw/zinc/28/20/53/1370282053.db2.gz ULWAGRHYQJNNET-RFSXKDGTSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001115104375 1370282057 /nfs/dbraw/zinc/28/20/57/1370282057.db2.gz ULWAGRHYQJNNET-RFSXKDGTSA-N 2 1 347.547 3.044 20 0 EGADMP CC(=O)Oc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001203949348 1370326226 /nfs/dbraw/zinc/32/62/26/1370326226.db2.gz MJNWEKQVSXXCJK-IBGZPJMESA-N 2 1 330.472 3.452 20 0 EGADMP CC(=O)Oc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001203949348 1370326232 /nfs/dbraw/zinc/32/62/32/1370326232.db2.gz MJNWEKQVSXXCJK-IBGZPJMESA-N 2 1 330.472 3.452 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)ccc1O ZINC001204134135 1370386132 /nfs/dbraw/zinc/38/61/32/1370386132.db2.gz MNIBRTGULBOIEQ-INIZCTEOSA-N 2 1 328.412 3.148 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)cc1 ZINC001204265400 1370426304 /nfs/dbraw/zinc/42/63/04/1370426304.db2.gz GNISEGOERKXIJQ-WOJBJXKFSA-N 2 1 344.499 3.351 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)cc1 ZINC001204265400 1370426310 /nfs/dbraw/zinc/42/63/10/1370426310.db2.gz GNISEGOERKXIJQ-WOJBJXKFSA-N 2 1 344.499 3.351 20 0 EGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3c(C)nn(-c4ccccc4)c3C)C[C@H]2C1 ZINC001204450867 1370480033 /nfs/dbraw/zinc/48/00/33/1370480033.db2.gz PYISVHWRBBBSRY-RTBURBONSA-N 2 1 338.499 3.263 20 0 EGADMP Cc1nn(C)cc1C[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001204577146 1370520755 /nfs/dbraw/zinc/52/07/55/1370520755.db2.gz QXTVEGOSMKSHOH-IBGZPJMESA-N 2 1 342.487 3.198 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536758 1370533425 /nfs/dbraw/zinc/53/34/25/1370533425.db2.gz GOBZFDKEWJJACE-RBUKOAKNSA-N 2 1 349.563 3.316 20 0 EGADMP Fc1cccc(OC(F)F)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204734722 1370558530 /nfs/dbraw/zinc/55/85/30/1370558530.db2.gz CUQQZDJWBZOIHY-UHFFFAOYSA-N 2 1 328.378 3.393 20 0 EGADMP Clc1cc(-n2cccn2)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204741809 1370562310 /nfs/dbraw/zinc/56/23/10/1370562310.db2.gz CCXQAAJKAUOROB-UHFFFAOYSA-N 2 1 344.890 3.491 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]C[C@H](F)CC)CCCCC1 ZINC001115563418 1370563160 /nfs/dbraw/zinc/56/31/60/1370563160.db2.gz UDZKJOQUPHOWSH-IAGOWNOFSA-N 2 1 341.515 3.018 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115571572 1370574020 /nfs/dbraw/zinc/57/40/20/1370574020.db2.gz FKILJVLROGRKKK-LJQANCHMSA-N 2 1 349.563 3.458 20 0 EGADMP CC[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC001204798796 1370578109 /nfs/dbraw/zinc/57/81/09/1370578109.db2.gz OGOJYCSPCQOATF-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC001204877416 1370594684 /nfs/dbraw/zinc/59/46/84/1370594684.db2.gz INKDPFCDMVDHRS-HHXXYDBFSA-N 2 1 345.437 3.384 20 0 EGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC001204877416 1370594686 /nfs/dbraw/zinc/59/46/86/1370594686.db2.gz INKDPFCDMVDHRS-HHXXYDBFSA-N 2 1 345.437 3.384 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115596594 1370597402 /nfs/dbraw/zinc/59/74/02/1370597402.db2.gz NVYJRHOXSDENFV-LJQANCHMSA-N 2 1 349.563 3.460 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CCCCC1 ZINC001115598054 1370598343 /nfs/dbraw/zinc/59/83/43/1370598343.db2.gz FWSBYCRYXXRVPN-LJQANCHMSA-N 2 1 343.515 3.080 20 0 EGADMP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115598552 1370598877 /nfs/dbraw/zinc/59/88/77/1370598877.db2.gz SJWVAYZJLQWJFO-PYTPGESOSA-N 2 1 335.536 3.236 20 0 EGADMP CC[C@@H](C)C[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)CC)CCCCC1 ZINC001115601516 1370601195 /nfs/dbraw/zinc/60/11/95/1370601195.db2.gz DXOGFYWUJMKHFL-MRXNPFEDSA-N 2 1 325.541 3.172 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC)c3cccc(OC)c23)C1 ZINC001205008436 1370626728 /nfs/dbraw/zinc/62/67/28/1370626728.db2.gz AOXGRKDCHKQOOT-OAHLLOKOSA-N 2 1 328.456 3.288 20 0 EGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC001205124337 1370657450 /nfs/dbraw/zinc/65/74/50/1370657450.db2.gz OLCGKFBJYHEAJO-OAHLLOKOSA-N 2 1 338.377 3.409 20 0 EGADMP c1ccc([C@H]2CCCC[N@@H+]2Cc2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC001205170942 1370669256 /nfs/dbraw/zinc/66/92/56/1370669256.db2.gz HADVWAJJJBZELH-HXUWFJFHSA-N 2 1 336.483 3.218 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205264304 1370700096 /nfs/dbraw/zinc/70/00/96/1370700096.db2.gz JMIZXDAHYSUGEC-HXUWFJFHSA-N 2 1 326.488 3.252 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CC3=CCCCC3)CCCCC2)C1 ZINC001115729533 1370710918 /nfs/dbraw/zinc/71/09/18/1370710918.db2.gz JTTKPOYNACRPGR-SFHVURJKSA-N 2 1 347.547 3.237 20 0 EGADMP C[C@H]1CC[N@@H+](CCCc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC001205296292 1370711338 /nfs/dbraw/zinc/71/13/38/1370711338.db2.gz KVYBVBYFVDFRKG-DZGCQCFKSA-N 2 1 325.294 3.298 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115729846 1370711740 /nfs/dbraw/zinc/71/17/40/1370711740.db2.gz VEQPCQMNIQMWNB-GOSISDBHSA-N 2 1 347.547 3.380 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115729790 1370711889 /nfs/dbraw/zinc/71/18/89/1370711889.db2.gz SQIBNONIJPRPRG-KRWDZBQOSA-N 2 1 335.536 3.070 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001115729886 1370712030 /nfs/dbraw/zinc/71/20/30/1370712030.db2.gz WWSGRZUHHSPFAV-KRWDZBQOSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C[C@H]1C[NH3+] ZINC001205306699 1370715006 /nfs/dbraw/zinc/71/50/06/1370715006.db2.gz YXLASFURLBIRMU-SJLPKXTDSA-N 2 1 334.467 3.442 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cccc3cc(Br)cnc32)C[C@H]1C[NH3+] ZINC001205315385 1370719051 /nfs/dbraw/zinc/71/90/51/1370719051.db2.gz FMOQASZGIZRMDU-IUODEOHRSA-N 2 1 348.288 3.414 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001115760820 1370745150 /nfs/dbraw/zinc/74/51/50/1370745150.db2.gz UNERDTQGPNWKCA-GOSISDBHSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)=CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205461854 1370762907 /nfs/dbraw/zinc/76/29/07/1370762907.db2.gz PWHKJYXLQMJIOO-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]Cc2ccc(C)cc2)CC1 ZINC001205561792 1370792102 /nfs/dbraw/zinc/79/21/02/1370792102.db2.gz LCJXVHJBGIADJB-UHFFFAOYSA-N 2 1 345.531 3.054 20 0 EGADMP CCn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001205563387 1370792843 /nfs/dbraw/zinc/79/28/43/1370792843.db2.gz OMDHYDJXASHPTF-RTWAWAEBSA-N 2 1 338.499 3.247 20 0 EGADMP CCn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001205563387 1370792850 /nfs/dbraw/zinc/79/28/50/1370792850.db2.gz OMDHYDJXASHPTF-RTWAWAEBSA-N 2 1 338.499 3.247 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001205593884 1370803853 /nfs/dbraw/zinc/80/38/53/1370803853.db2.gz HECILECJQIUFPZ-XJDXJNMNSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@H]1CC[N@@H+](CCc2ccccc2Br)CC[C@@H]1C[NH3+] ZINC001205600945 1370806197 /nfs/dbraw/zinc/80/61/97/1370806197.db2.gz COCOUMVVXARKFW-DZGCQCFKSA-N 2 1 325.294 3.298 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205618263 1370812307 /nfs/dbraw/zinc/81/23/07/1370812307.db2.gz TYOUOTVRFKYJGB-OLZOCXBDSA-N 2 1 346.393 3.401 20 0 EGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)cc21 ZINC001205651904 1370828571 /nfs/dbraw/zinc/82/85/71/1370828571.db2.gz LNZBQXVKJMDHOL-VQIMIIECSA-N 3 1 327.516 3.495 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(OC)c1Cl ZINC001205651206 1370828977 /nfs/dbraw/zinc/82/89/77/1370828977.db2.gz BBMFRANMXWINFS-OLZOCXBDSA-N 2 1 326.868 3.164 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(OC)c1Cl ZINC001205651207 1370829442 /nfs/dbraw/zinc/82/94/42/1370829442.db2.gz BBMFRANMXWINFS-QWHCGFSZSA-N 2 1 326.868 3.164 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cccnc2OCc2ccccc2)CC[C@H]1C[NH3+] ZINC001205654457 1370829873 /nfs/dbraw/zinc/82/98/73/1370829873.db2.gz WXKFSVBDIXUZSK-HKUYNNGSSA-N 2 1 339.483 3.467 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(F)c(-c3ccccc3)c2)C1 ZINC001205735629 1370855117 /nfs/dbraw/zinc/85/51/17/1370855117.db2.gz OSYCWPXFKKZWPA-HXUWFJFHSA-N 2 1 328.431 3.168 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OCc2ccccc2)nc1 ZINC001205917217 1370910453 /nfs/dbraw/zinc/91/04/53/1370910453.db2.gz XOFFIFKIEUGCEF-APWZRJJASA-N 2 1 325.456 3.220 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(OCc2ccccc2)nc1 ZINC001205917217 1370910457 /nfs/dbraw/zinc/91/04/57/1370910457.db2.gz XOFFIFKIEUGCEF-APWZRJJASA-N 2 1 325.456 3.220 20 0 EGADMP COc1cc(OC)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c2ccccc12 ZINC001205925845 1370914068 /nfs/dbraw/zinc/91/40/68/1370914068.db2.gz ZISWDPYFYBFNGK-LSDHHAIUSA-N 2 1 328.456 3.416 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@]2(CC)CC[NH2+]C2)c1 ZINC001326027117 1388102596 /nfs/dbraw/zinc/10/25/96/1388102596.db2.gz NDKUHUUCWHNDRD-NRFANRHFSA-N 2 1 345.531 3.315 20 0 EGADMP COc1ccc(Br)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001205996015 1370932902 /nfs/dbraw/zinc/93/29/02/1370932902.db2.gz TVSLJSAUBKLGFN-CHWSQXEVSA-N 2 1 341.293 3.265 20 0 EGADMP Cc1cc(Br)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1O ZINC001206021599 1370940045 /nfs/dbraw/zinc/94/00/45/1370940045.db2.gz AJRVUNDXJZVOPB-QWHCGFSZSA-N 2 1 341.293 3.270 20 0 EGADMP CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001206023980 1370941547 /nfs/dbraw/zinc/94/15/47/1370941547.db2.gz VPTPLZKJDWLDNI-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cn2)CCC[C@@H]1C[NH3+] ZINC001206036567 1370944602 /nfs/dbraw/zinc/94/46/02/1370944602.db2.gz LLFRWLAQKRQSPB-PKOBYXMFSA-N 2 1 339.483 3.467 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1OCC1CC1 ZINC001206036707 1370944811 /nfs/dbraw/zinc/94/48/11/1370944811.db2.gz ONRWAYQFLAKHEP-RDJZCZTQSA-N 2 1 332.488 3.291 20 0 EGADMP COc1ccc(-c2ncc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)s2)cc1 ZINC001206172879 1370979793 /nfs/dbraw/zinc/97/97/93/1370979793.db2.gz CIQFPSDMMKUONO-HZPDHXFCSA-N 2 1 335.448 3.080 20 0 EGADMP COc1ccc(-c2ncc(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)s2)cc1 ZINC001206172879 1370979796 /nfs/dbraw/zinc/97/97/96/1370979796.db2.gz CIQFPSDMMKUONO-HZPDHXFCSA-N 2 1 335.448 3.080 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1OC(F)F ZINC001206304130 1371015902 /nfs/dbraw/zinc/01/59/02/1371015902.db2.gz GNIHLJXBPDWVAJ-QGZVFWFLSA-N 2 1 328.403 3.248 20 0 EGADMP COc1cccc(-c2ncc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)cn2)c1 ZINC001206310943 1371017539 /nfs/dbraw/zinc/01/75/39/1371017539.db2.gz FXAYSVILQBGDQS-HXUWFJFHSA-N 2 1 340.471 3.103 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)CC[NH2+]1 ZINC001326077764 1388109544 /nfs/dbraw/zinc/10/95/44/1388109544.db2.gz YXRRQMXFHHWASV-GXSJLCMTSA-N 2 1 336.329 3.120 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1-n1cnc(C)c1 ZINC001206318926 1371020531 /nfs/dbraw/zinc/02/05/31/1371020531.db2.gz VFMUECFSYZKXAF-FQEVSTJZSA-N 2 1 342.487 3.140 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cncc(Br)c2Cl)CC1 ZINC001206334891 1371025645 /nfs/dbraw/zinc/02/56/45/1371025645.db2.gz AIKIREKWKQUQAV-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cncc(Br)c2Cl)CC1 ZINC001206334891 1371025649 /nfs/dbraw/zinc/02/56/49/1371025649.db2.gz AIKIREKWKQUQAV-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(-c2cnn(CC[NH+](C)C)c2)nc1 ZINC001206333314 1371025804 /nfs/dbraw/zinc/02/58/04/1371025804.db2.gz RZFOWPQAPYUFTR-FQEVSTJZSA-N 2 1 341.503 3.444 20 0 EGADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001206351483 1371029965 /nfs/dbraw/zinc/02/99/65/1371029965.db2.gz DASRSMPXSMNHIA-SFHVURJKSA-N 2 1 348.853 3.450 20 0 EGADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001206351483 1371029968 /nfs/dbraw/zinc/02/99/68/1371029968.db2.gz DASRSMPXSMNHIA-SFHVURJKSA-N 2 1 348.853 3.450 20 0 EGADMP CC(C)[N@@H+](Cc1cccc2c1OC(F)(F)O2)[C@@H]1CCC[NH2+]CC1 ZINC001206589146 1371101306 /nfs/dbraw/zinc/10/13/06/1371101306.db2.gz GARUBGFXGVKLPY-CQSZACIVSA-N 2 1 326.387 3.361 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2c(Br)[nH]c3ccccc32)C1 ZINC001206631814 1371114172 /nfs/dbraw/zinc/11/41/72/1371114172.db2.gz ABSBKIHWPGEPBU-GFCCVEGCSA-N 2 1 336.277 3.491 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2c(Br)[nH]c3ccccc32)C1 ZINC001206631814 1371114178 /nfs/dbraw/zinc/11/41/78/1371114178.db2.gz ABSBKIHWPGEPBU-GFCCVEGCSA-N 2 1 336.277 3.491 20 0 EGADMP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H](C[NH3+])C3)cs2)cc1 ZINC001206640860 1371116299 /nfs/dbraw/zinc/11/62/99/1371116299.db2.gz OFYLMYHNEOHPRV-CQSZACIVSA-N 2 1 331.485 3.380 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3CCCC[C@H](C[NH3+])C3)cs2)cc1 ZINC001206640860 1371116303 /nfs/dbraw/zinc/11/63/03/1371116303.db2.gz OFYLMYHNEOHPRV-CQSZACIVSA-N 2 1 331.485 3.380 20 0 EGADMP [NH3+]CC1(c2ccccc2)CCN(CCC[NH2+]C2CCCCC2)CC1 ZINC001206750294 1371153229 /nfs/dbraw/zinc/15/32/29/1371153229.db2.gz ZQPXFDXZFBEXDP-UHFFFAOYSA-N 2 1 329.532 3.291 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc2ccc(Br)cc2[nH]1 ZINC001206772208 1371160883 /nfs/dbraw/zinc/16/08/83/1371160883.db2.gz ZFKSJLXBBUWCHK-RYUDHWBXSA-N 2 1 336.277 3.490 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]CCC3CCCCCC3)CC2)C1 ZINC001206928602 1371229825 /nfs/dbraw/zinc/22/98/25/1371229825.db2.gz BMWZXQAYKJSZMP-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4[nH+]cc5ccccn54)C[C@H]3C2)cc1 ZINC001207051224 1371277915 /nfs/dbraw/zinc/27/79/15/1371277915.db2.gz YJTVUAJROKZLOC-BGYRXZFFSA-N 2 1 346.478 3.207 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4[nH+]cc5ccccn54)C[C@H]3C2)cc1 ZINC001207051224 1371277921 /nfs/dbraw/zinc/27/79/21/1371277921.db2.gz YJTVUAJROKZLOC-BGYRXZFFSA-N 2 1 346.478 3.207 20 0 EGADMP c1[nH+]c(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n2ccccc12 ZINC001207053998 1371279091 /nfs/dbraw/zinc/27/90/91/1371279091.db2.gz CITMXZPUZPZCEU-QUCCMNQESA-N 2 1 332.451 3.041 20 0 EGADMP c1[nH+]c(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n2ccccc12 ZINC001207053998 1371279093 /nfs/dbraw/zinc/27/90/93/1371279093.db2.gz CITMXZPUZPZCEU-QUCCMNQESA-N 2 1 332.451 3.041 20 0 EGADMP c1[nH+]c(CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)n2ccccc12 ZINC001207052852 1371279383 /nfs/dbraw/zinc/27/93/83/1371279383.db2.gz FRNPSMDEAYEVDL-UYAOXDASSA-N 2 1 332.451 3.041 20 0 EGADMP c1[nH+]c(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)n2ccccc12 ZINC001207052852 1371279384 /nfs/dbraw/zinc/27/93/84/1371279384.db2.gz FRNPSMDEAYEVDL-UYAOXDASSA-N 2 1 332.451 3.041 20 0 EGADMP Cc1cnc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001207082131 1371287722 /nfs/dbraw/zinc/28/77/22/1371287722.db2.gz GIYZQUJGPQOUIL-UXHICEINSA-N 2 1 336.483 3.129 20 0 EGADMP Cc1cnc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001207082131 1371287723 /nfs/dbraw/zinc/28/77/23/1371287723.db2.gz GIYZQUJGPQOUIL-UXHICEINSA-N 2 1 336.483 3.129 20 0 EGADMP Cc1cnc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001207082131 1371287728 /nfs/dbraw/zinc/28/77/28/1371287728.db2.gz GIYZQUJGPQOUIL-UXHICEINSA-N 2 1 336.483 3.129 20 0 EGADMP O=c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc[nH]1 ZINC001207126351 1371302030 /nfs/dbraw/zinc/30/20/30/1371302030.db2.gz POVWNYSLHOPZON-UXHICEINSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc[nH]1 ZINC001207126351 1371302035 /nfs/dbraw/zinc/30/20/35/1371302035.db2.gz POVWNYSLHOPZON-UXHICEINSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc[nH]1 ZINC001207126351 1371302040 /nfs/dbraw/zinc/30/20/40/1371302040.db2.gz POVWNYSLHOPZON-UXHICEINSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc[nH]1 ZINC001207126346 1371302657 /nfs/dbraw/zinc/30/26/57/1371302657.db2.gz POVWNYSLHOPZON-PMACEKPBSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc[nH]1 ZINC001207126346 1371302662 /nfs/dbraw/zinc/30/26/62/1371302662.db2.gz POVWNYSLHOPZON-PMACEKPBSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc[nH]1 ZINC001207126346 1371302666 /nfs/dbraw/zinc/30/26/66/1371302666.db2.gz POVWNYSLHOPZON-PMACEKPBSA-N 2 1 337.467 3.131 20 0 EGADMP Cc1ccc(C2=NO[C@@H](C[NH2+]C3CC[NH+](C(C)(C)C)CC3)C2)cc1 ZINC001119451137 1371346451 /nfs/dbraw/zinc/34/64/51/1371346451.db2.gz YFQRULIFFWMUCS-GOSISDBHSA-N 2 1 329.488 3.341 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H](C(=O)OCc2ccccc2)C1 ZINC001207284094 1371350005 /nfs/dbraw/zinc/35/00/05/1371350005.db2.gz IHZLBFHPDGVVMP-GOSISDBHSA-N 2 1 332.488 3.030 20 0 EGADMP Cc1noc([C@@H]2CC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001207292385 1371352413 /nfs/dbraw/zinc/35/24/13/1371352413.db2.gz QNEPCWIHNKBFIC-LJQANCHMSA-N 2 1 340.471 3.080 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001207336933 1371364731 /nfs/dbraw/zinc/36/47/31/1371364731.db2.gz MVJKFJQCKFSWFC-MOZIWPGPSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001207336933 1371364735 /nfs/dbraw/zinc/36/47/35/1371364735.db2.gz MVJKFJQCKFSWFC-MOZIWPGPSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001207336933 1371364738 /nfs/dbraw/zinc/36/47/38/1371364738.db2.gz MVJKFJQCKFSWFC-MOZIWPGPSA-N 2 1 335.536 3.044 20 0 EGADMP Cc1nc(Cl)c(CC[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(Cl)n1 ZINC001207345916 1371366968 /nfs/dbraw/zinc/36/69/68/1371366968.db2.gz OMUNFYOCLVUTLL-UHFFFAOYSA-N 2 1 343.302 3.052 20 0 EGADMP Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207392292 1371382968 /nfs/dbraw/zinc/38/29/68/1371382968.db2.gz YFIMSXRYNGDORH-LJQANCHMSA-N 2 1 343.515 3.438 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001207399685 1371385421 /nfs/dbraw/zinc/38/54/21/1371385421.db2.gz QXCYVDYFYZZIMX-IRXDYDNUSA-N 2 1 339.524 3.096 20 0 EGADMP CCCC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1C(=O)OC(C)(C)C ZINC001207441101 1371396654 /nfs/dbraw/zinc/39/66/54/1371396654.db2.gz QNVOIJXMGMZBDC-QGZVFWFLSA-N 2 1 339.524 3.098 20 0 EGADMP COc1ccccc1CC[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001207454396 1371399730 /nfs/dbraw/zinc/39/97/30/1371399730.db2.gz JUELZZZAPVLLFL-QZTJIDSGSA-N 2 1 342.508 3.363 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001207480137 1371408778 /nfs/dbraw/zinc/40/87/78/1371408778.db2.gz UTAJPUGFPTUPSV-KRWDZBQOSA-N 2 1 339.524 3.098 20 0 EGADMP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](C[C@H]2C[C@H]4C=C[C@@H]2C4)CC3)n1 ZINC001207626735 1371457052 /nfs/dbraw/zinc/45/70/52/1371457052.db2.gz KRQLFCWIZQVNIY-IPMKNSEASA-N 2 1 340.515 3.063 20 0 EGADMP Cn1ccc(C[N@H+]2CCCC23CC[NH+](C[C@H]2C[C@H]4C=C[C@@H]2C4)CC3)n1 ZINC001207626735 1371457055 /nfs/dbraw/zinc/45/70/55/1371457055.db2.gz KRQLFCWIZQVNIY-IPMKNSEASA-N 2 1 340.515 3.063 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001120041271 1371466622 /nfs/dbraw/zinc/46/66/22/1371466622.db2.gz KRSDOFXAYGAVLP-UHFFFAOYSA-N 2 1 337.552 3.317 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1([NH2+]C[C@H](C)CC)CCCCC1 ZINC001120041286 1371466810 /nfs/dbraw/zinc/46/68/10/1371466810.db2.gz MBXOSSKDVYUKQQ-QGZVFWFLSA-N 2 1 325.541 3.173 20 0 EGADMP CC(C)CCC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCCC1 ZINC001120208028 1371505182 /nfs/dbraw/zinc/50/51/82/1371505182.db2.gz RHSORAFNNXOGSK-UHFFFAOYSA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]Cc2cccc(F)c2)CCCCC1 ZINC001120208272 1371505559 /nfs/dbraw/zinc/50/55/59/1371505559.db2.gz XSIPEVNVXOLOBP-UHFFFAOYSA-N 2 1 349.494 3.075 20 0 EGADMP COC1CC[NH+](C2CC[NH+](CC3(c4ccccc4)CC3)CC2)CC1 ZINC001207840043 1371516098 /nfs/dbraw/zinc/51/60/98/1371516098.db2.gz AIRTYWXVHAMRAP-UHFFFAOYSA-N 2 1 328.500 3.293 20 0 EGADMP Cc1ccc(CCC[N@H+]2CCc3c(CN(C)C)nn(C(C)C)c3C2)o1 ZINC001207944040 1371544596 /nfs/dbraw/zinc/54/45/96/1371544596.db2.gz LKOPNLGYCKUABW-UHFFFAOYSA-N 2 1 344.503 3.418 20 0 EGADMP Cc1ccc(CCCN2CCc3c(CN(C)C)nn(C(C)C)c3C2)o1 ZINC001207944040 1371544600 /nfs/dbraw/zinc/54/46/00/1371544600.db2.gz LKOPNLGYCKUABW-UHFFFAOYSA-N 2 1 344.503 3.418 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120422005 1371569007 /nfs/dbraw/zinc/56/90/07/1371569007.db2.gz HSWRJEUTCFMWTJ-DXPXIUTNSA-N 2 1 349.563 3.388 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CCC2CCCC2)C1 ZINC001120432120 1371575148 /nfs/dbraw/zinc/57/51/48/1371575148.db2.gz YGFVPTYADYCMJD-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439747 1371577013 /nfs/dbraw/zinc/57/70/13/1371577013.db2.gz IQVWVOFSERZNMI-PXIXMTEYSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120468716 1371586809 /nfs/dbraw/zinc/58/68/09/1371586809.db2.gz FYRPBKVLZBNYMQ-RLWBPELLSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120468716 1371586811 /nfs/dbraw/zinc/58/68/11/1371586811.db2.gz FYRPBKVLZBNYMQ-RLWBPELLSA-N 2 1 349.563 3.386 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)CC1 ZINC001208111990 1371598715 /nfs/dbraw/zinc/59/87/15/1371598715.db2.gz QFNVBIQOYJDRSY-NRFANRHFSA-N 2 1 342.483 3.060 20 0 EGADMP CCOC(=O)c1cc2c(s1)CC[N@@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208113174 1371598755 /nfs/dbraw/zinc/59/87/55/1371598755.db2.gz DTNWKQAEWQQOJX-UHFFFAOYSA-N 2 1 336.501 3.015 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208111331 1371598922 /nfs/dbraw/zinc/59/89/22/1371598922.db2.gz KGGYUZWKOVOOIT-RTWAWAEBSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(C)(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208111331 1371598926 /nfs/dbraw/zinc/59/89/26/1371598926.db2.gz KGGYUZWKOVOOIT-RTWAWAEBSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(C)(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208111331 1371598928 /nfs/dbraw/zinc/59/89/28/1371598928.db2.gz KGGYUZWKOVOOIT-RTWAWAEBSA-N 3 1 341.543 3.172 20 0 EGADMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](CCN(C)C)CC3)C2)cc1 ZINC001208127628 1371603978 /nfs/dbraw/zinc/60/39/78/1371603978.db2.gz UAKUFVSUKVIPME-UHFFFAOYSA-N 2 1 329.532 3.235 20 0 EGADMP Cc1ccc(C[N@H+]2CCCC3(CCN(CC[NH+](C)C)CC3)C2)cc1 ZINC001208127628 1371603983 /nfs/dbraw/zinc/60/39/83/1371603983.db2.gz UAKUFVSUKVIPME-UHFFFAOYSA-N 2 1 329.532 3.235 20 0 EGADMP Cc1ccc(C[N@@H+]2CCCC3(CCN(CC[NH+](C)C)CC3)C2)cc1 ZINC001208127628 1371603988 /nfs/dbraw/zinc/60/39/88/1371603988.db2.gz UAKUFVSUKVIPME-UHFFFAOYSA-N 2 1 329.532 3.235 20 0 EGADMP CC/C=C\CCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001208135898 1371606854 /nfs/dbraw/zinc/60/68/54/1371606854.db2.gz MRTIXPXRUMUJSF-TZFVZSICSA-N 2 1 347.547 3.140 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001208446924 1371768689 /nfs/dbraw/zinc/76/86/89/1371768689.db2.gz DDXOWLAUVMUQKN-MAUKXSAKSA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@H]([NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1)c1ccccc1 ZINC001208447018 1371768819 /nfs/dbraw/zinc/76/88/19/1371768819.db2.gz FWPRFOHTYQPNIH-OALUTQOASA-N 2 1 345.531 3.449 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001208447338 1371769746 /nfs/dbraw/zinc/76/97/46/1371769746.db2.gz FFNPYGNFTBBPKO-QWFCFKBJSA-N 2 1 345.531 3.143 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208474667 1371781165 /nfs/dbraw/zinc/78/11/65/1371781165.db2.gz OAKCPYDHERRFFV-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CCC([N@H+](C)CCN(CC)C(=O)OC(C)(C)C)CC1 ZINC001208578340 1371825722 /nfs/dbraw/zinc/82/57/22/1371825722.db2.gz UOJWVTCEFSZGFQ-UHFFFAOYSA-N 2 1 341.540 3.440 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)CCN(CC)C(=O)OC(C)(C)C)CC1 ZINC001208578340 1371825725 /nfs/dbraw/zinc/82/57/25/1371825725.db2.gz UOJWVTCEFSZGFQ-UHFFFAOYSA-N 2 1 341.540 3.440 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN2CCC[NH+]3CCC[C@@H]3C2)cc1 ZINC001208588698 1371830149 /nfs/dbraw/zinc/83/01/49/1371830149.db2.gz KPNKVKWRBBKURD-RTWAWAEBSA-N 2 1 327.516 3.211 20 0 EGADMP c1ccc(C[NH+]2CCCC[C@H]2CN2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001208588698 1371830153 /nfs/dbraw/zinc/83/01/53/1371830153.db2.gz KPNKVKWRBBKURD-RTWAWAEBSA-N 2 1 327.516 3.211 20 0 EGADMP c1ccc(C[NH+]2CCCC[C@H]2CN2CCC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001208588698 1371830156 /nfs/dbraw/zinc/83/01/56/1371830156.db2.gz KPNKVKWRBBKURD-RTWAWAEBSA-N 2 1 327.516 3.211 20 0 EGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCC[NH+](C)C1 ZINC001208612803 1371839996 /nfs/dbraw/zinc/83/99/96/1371839996.db2.gz OEFAZMIGCNOQCG-NRFANRHFSA-N 3 1 329.532 3.172 20 0 EGADMP C[NH+](CC1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCC[N@H+](C)C1 ZINC001208612803 1371839999 /nfs/dbraw/zinc/83/99/99/1371839999.db2.gz OEFAZMIGCNOQCG-NRFANRHFSA-N 3 1 329.532 3.172 20 0 EGADMP C[NH+](CC1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208612803 1371840001 /nfs/dbraw/zinc/84/00/01/1371840001.db2.gz OEFAZMIGCNOQCG-NRFANRHFSA-N 3 1 329.532 3.172 20 0 EGADMP CN1CCC[C@H](C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001208612803 1371840003 /nfs/dbraw/zinc/84/00/03/1371840003.db2.gz OEFAZMIGCNOQCG-NRFANRHFSA-N 2 1 329.532 3.172 20 0 EGADMP CN1CCC[C@H](C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001208612803 1371840007 /nfs/dbraw/zinc/84/00/07/1371840007.db2.gz OEFAZMIGCNOQCG-NRFANRHFSA-N 2 1 329.532 3.172 20 0 EGADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001208614389 1371841819 /nfs/dbraw/zinc/84/18/19/1371841819.db2.gz DCFOUVJZODHPSQ-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001208614389 1371841824 /nfs/dbraw/zinc/84/18/24/1371841824.db2.gz DCFOUVJZODHPSQ-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001208614389 1371841826 /nfs/dbraw/zinc/84/18/26/1371841826.db2.gz DCFOUVJZODHPSQ-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001208614389 1371841829 /nfs/dbraw/zinc/84/18/29/1371841829.db2.gz DCFOUVJZODHPSQ-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001121133548 1371862023 /nfs/dbraw/zinc/86/20/23/1371862023.db2.gz CFARULPFFIFDLX-GSNYUWQOSA-N 2 1 349.563 3.026 20 0 EGADMP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121233946 1371902855 /nfs/dbraw/zinc/90/28/55/1371902855.db2.gz UFGOSLGRFUGTQR-SSBRDVDXSA-N 2 1 349.563 3.312 20 0 EGADMP C[NH+](C)C1CC[NH+](CCCc2cccc(Br)c2)CC1 ZINC001208820270 1371906227 /nfs/dbraw/zinc/90/62/27/1371906227.db2.gz JAZFNFXKGSUTLI-UHFFFAOYSA-N 2 1 325.294 3.408 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001121288315 1371923321 /nfs/dbraw/zinc/92/33/21/1371923321.db2.gz CFNXMXVIACHLHU-FAFJLIIVSA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)(C)[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208936329 1371952311 /nfs/dbraw/zinc/95/23/11/1371952311.db2.gz OHDHEGAJTJFWBR-HXUWFJFHSA-N 2 1 329.532 3.315 20 0 EGADMP CCOC(=O)C[C@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208943225 1371956633 /nfs/dbraw/zinc/95/66/33/1371956633.db2.gz SCYAFGDSNXAORB-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)C[C@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208943225 1371956636 /nfs/dbraw/zinc/95/66/36/1371956636.db2.gz SCYAFGDSNXAORB-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)C[C@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208943225 1371956640 /nfs/dbraw/zinc/95/66/40/1371956640.db2.gz SCYAFGDSNXAORB-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP Cc1noc(C2CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208952122 1371961429 /nfs/dbraw/zinc/96/14/29/1371961429.db2.gz HJZSTIYJFHXZMD-GOSISDBHSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1noc(C2CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208952122 1371961431 /nfs/dbraw/zinc/96/14/31/1371961431.db2.gz HJZSTIYJFHXZMD-GOSISDBHSA-N 2 1 340.471 3.080 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209156426 1372017712 /nfs/dbraw/zinc/01/77/12/1372017712.db2.gz BIPHKISOYCEALD-QZTJIDSGSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209156426 1372017717 /nfs/dbraw/zinc/01/77/17/1372017717.db2.gz BIPHKISOYCEALD-QZTJIDSGSA-N 2 1 348.535 3.269 20 0 EGADMP C[C@@H]1C[C@@H]1C[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001209414560 1372099128 /nfs/dbraw/zinc/09/91/28/1372099128.db2.gz NPLMADNHIBFXEK-NUJGCVRESA-N 2 1 335.442 3.271 20 0 EGADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001209414560 1372099130 /nfs/dbraw/zinc/09/91/30/1372099130.db2.gz NPLMADNHIBFXEK-NUJGCVRESA-N 2 1 335.442 3.271 20 0 EGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001209414560 1372099134 /nfs/dbraw/zinc/09/91/34/1372099134.db2.gz NPLMADNHIBFXEK-NUJGCVRESA-N 2 1 335.442 3.271 20 0 EGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001209414560 1372099139 /nfs/dbraw/zinc/09/91/39/1372099139.db2.gz NPLMADNHIBFXEK-NUJGCVRESA-N 2 1 335.442 3.271 20 0 EGADMP C[C@@H]1C[C@H]1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001209418075 1372100631 /nfs/dbraw/zinc/10/06/31/1372100631.db2.gz YADCTCCLUKKFKN-IKGGRYGDSA-N 2 1 334.529 3.459 20 0 EGADMP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001121859361 1372105592 /nfs/dbraw/zinc/10/55/92/1372105592.db2.gz DMJABPMOMBTVQU-SSBRDVDXSA-N 2 1 349.563 3.312 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH]1 ZINC001209572252 1372141121 /nfs/dbraw/zinc/14/11/21/1372141121.db2.gz DYWXGMFOYMZLMK-IOMROCGXSA-N 2 1 338.499 3.451 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH]1 ZINC001209572252 1372141128 /nfs/dbraw/zinc/14/11/28/1372141128.db2.gz DYWXGMFOYMZLMK-IOMROCGXSA-N 2 1 338.499 3.451 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)[nH]1 ZINC001209572252 1372141131 /nfs/dbraw/zinc/14/11/31/1372141131.db2.gz DYWXGMFOYMZLMK-IOMROCGXSA-N 2 1 338.499 3.451 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)[nH]1 ZINC001209572252 1372141132 /nfs/dbraw/zinc/14/11/32/1372141132.db2.gz DYWXGMFOYMZLMK-IOMROCGXSA-N 2 1 338.499 3.451 20 0 EGADMP Cc1[nH]c2ncccc2c1C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001209591344 1372145852 /nfs/dbraw/zinc/14/58/52/1372145852.db2.gz SXXFDIZOOVWOJN-UHFFFAOYSA-N 2 1 330.451 3.270 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001209688253 1372170973 /nfs/dbraw/zinc/17/09/73/1372170973.db2.gz CKQYFWQCQHGQCX-MSOLQXFVSA-N 2 1 339.568 3.227 20 0 EGADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@H](c2ccc(Br)cc2)C1 ZINC001209730820 1372179369 /nfs/dbraw/zinc/17/93/69/1372179369.db2.gz JYXWQAAATIOSAI-ZDUSSCGKSA-N 2 1 332.245 3.246 20 0 EGADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@H](c2ccc(Br)cc2)C1 ZINC001209730820 1372179371 /nfs/dbraw/zinc/17/93/71/1372179371.db2.gz JYXWQAAATIOSAI-ZDUSSCGKSA-N 2 1 332.245 3.246 20 0 EGADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnccn2)CC3)c1 ZINC001209780556 1372195552 /nfs/dbraw/zinc/19/55/52/1372195552.db2.gz FTOWXBUUWLHJMM-UHFFFAOYSA-N 2 1 328.485 3.026 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001122243076 1372210558 /nfs/dbraw/zinc/21/05/58/1372210558.db2.gz ZNMJRKHMWPKAHB-WZXTXQKWSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209892618 1372225396 /nfs/dbraw/zinc/22/53/96/1372225396.db2.gz WNIZKVYWOGBXSE-ZWKOTPCHSA-N 2 1 348.535 3.269 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001209957660 1372240918 /nfs/dbraw/zinc/24/09/18/1372240918.db2.gz FUYFBQZCHKSKJQ-HTJOGQSXSA-N 2 1 349.563 3.290 20 0 EGADMP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1)c1ccccc1 ZINC001210492901 1372366090 /nfs/dbraw/zinc/36/60/90/1372366090.db2.gz FPUNUAXHTBUIQH-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211292723 1372522833 /nfs/dbraw/zinc/52/28/33/1372522833.db2.gz QYEUMVHFYICEGC-YLJYHZDGSA-N 2 1 345.531 3.235 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001211367078 1372541397 /nfs/dbraw/zinc/54/13/97/1372541397.db2.gz NMOGYCCKAVGALC-MOZIWPGPSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001211367078 1372541400 /nfs/dbraw/zinc/54/14/00/1372541400.db2.gz NMOGYCCKAVGALC-MOZIWPGPSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001211367078 1372541402 /nfs/dbraw/zinc/54/14/02/1372541402.db2.gz NMOGYCCKAVGALC-MOZIWPGPSA-N 2 1 335.536 3.044 20 0 EGADMP CCCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211711797 1372606563 /nfs/dbraw/zinc/60/65/63/1372606563.db2.gz SVYHKRQYQXRVKK-VQTJNVASSA-N 2 1 345.531 3.103 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001215004302 1373154445 /nfs/dbraw/zinc/15/44/45/1373154445.db2.gz ZJOHVVYBJQLCQW-ZHALLVOQSA-N 2 1 345.531 3.223 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+]CCC1CCCCC1 ZINC001127686272 1373161944 /nfs/dbraw/zinc/16/19/44/1373161944.db2.gz XJVAKNIBJXUWNC-INIZCTEOSA-N 2 1 334.508 3.073 20 0 EGADMP C[NH2+]Cc1cccc(Nc2cccc(C[NH+]3CCOCC3)c2)c1F ZINC001216222367 1373284754 /nfs/dbraw/zinc/28/47/54/1373284754.db2.gz AFOOGUJBQAIQRG-UHFFFAOYSA-N 2 1 329.419 3.121 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)cc1 ZINC001130187423 1373471449 /nfs/dbraw/zinc/47/14/49/1373471449.db2.gz UVFUGHBYDIZWKC-WOJBJXKFSA-N 2 1 343.515 3.033 20 0 EGADMP [NH3+][C@H](CC1CC[NH2+]CC1)c1nnc([C@@H]2C[C@@H]2c2ccc(Cl)cc2)o1 ZINC001217724557 1373495200 /nfs/dbraw/zinc/49/52/00/1373495200.db2.gz LNUHJGAGYVRBGX-BZUAXINKSA-N 2 1 346.862 3.384 20 0 EGADMP CC[C@H](C)[C@H]([NH2+]C)c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217723001 1373495760 /nfs/dbraw/zinc/49/57/60/1373495760.db2.gz KOPKPMSHVUUTKT-UAGQMJEPSA-N 2 1 328.460 3.366 20 0 EGADMP CC1(CO[C@@H]2CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)C[NH2+]C1 ZINC001217908710 1373511488 /nfs/dbraw/zinc/51/14/88/1373511488.db2.gz KSVWKSSZMYDXIZ-CYBMUJFWSA-N 2 1 329.271 3.194 20 0 EGADMP CC1(CO[C@@H]2CC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)C[NH2+]C1 ZINC001217908710 1373511487 /nfs/dbraw/zinc/51/14/87/1373511487.db2.gz KSVWKSSZMYDXIZ-CYBMUJFWSA-N 2 1 329.271 3.194 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](OCCC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC001217928821 1373513030 /nfs/dbraw/zinc/51/30/30/1373513030.db2.gz HTTPGFMMHBOTRC-ACRUOGEOSA-N 2 1 328.500 3.303 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001130425445 1373532253 /nfs/dbraw/zinc/53/22/53/1373532253.db2.gz ZSEJNUSOPGHSHM-MRXNPFEDSA-N 2 1 333.520 3.307 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001130425444 1373532713 /nfs/dbraw/zinc/53/27/13/1373532713.db2.gz ZSEJNUSOPGHSHM-INIZCTEOSA-N 2 1 333.520 3.307 20 0 EGADMP CC[C@@]1(c2cccc(O[C@H]3[C@@H]4C[C@H]3C[NH2+]C4)c2)CCCC[N@@H+](C)C1 ZINC001218146691 1373569298 /nfs/dbraw/zinc/56/92/98/1373569298.db2.gz FXGFCYYIDSRUJJ-SQBLYHGDSA-N 2 1 328.500 3.437 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]CCCC1CCCC1 ZINC001130617547 1373570956 /nfs/dbraw/zinc/57/09/56/1373570956.db2.gz BVLFMAMDTNAELO-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C)c1ccc(F)cc1 ZINC001130709289 1373583309 /nfs/dbraw/zinc/58/33/09/1373583309.db2.gz ZKVNUGKCQHERED-RTBURBONSA-N 2 1 349.494 3.103 20 0 EGADMP [NH3+]Cc1ccc(NC(=O)C23CC(C2)CC[N@H+]3Cc2ccccc2)cc1 ZINC001219347297 1373702789 /nfs/dbraw/zinc/70/27/89/1373702789.db2.gz LKDBUMIRXAEQFA-UHFFFAOYSA-N 2 1 335.451 3.139 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001221664564 1373787806 /nfs/dbraw/zinc/78/78/06/1373787806.db2.gz ZMQYDOYIOKBIJX-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001221664564 1373787811 /nfs/dbraw/zinc/78/78/11/1373787811.db2.gz ZMQYDOYIOKBIJX-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001221664564 1373787817 /nfs/dbraw/zinc/78/78/17/1373787817.db2.gz ZMQYDOYIOKBIJX-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCC(C)C)C[C@H]21 ZINC001221876645 1373801500 /nfs/dbraw/zinc/80/15/00/1373801500.db2.gz MUYLGVUROBCUAF-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CCC(C)C)C[C@H]21 ZINC001221876645 1373801505 /nfs/dbraw/zinc/80/15/05/1373801505.db2.gz MUYLGVUROBCUAF-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CCC(C)C)C[C@H]21 ZINC001221876645 1373801510 /nfs/dbraw/zinc/80/15/10/1373801510.db2.gz MUYLGVUROBCUAF-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221918522 1373803257 /nfs/dbraw/zinc/80/32/57/1373803257.db2.gz NPXRLFDDJCVEPL-VAMGGRTRSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001221918522 1373803264 /nfs/dbraw/zinc/80/32/64/1373803264.db2.gz NPXRLFDDJCVEPL-VAMGGRTRSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001221918522 1373803274 /nfs/dbraw/zinc/80/32/74/1373803274.db2.gz NPXRLFDDJCVEPL-VAMGGRTRSA-N 2 1 343.515 3.012 20 0 EGADMP c1cc2c(cc1C[N@H+]1CCCC[C@@]3(CCCC[NH2+]C3)C1)C[NH2+]CC2 ZINC001222173554 1373818658 /nfs/dbraw/zinc/81/86/58/1373818658.db2.gz UZKRFZKWGZGUTA-OAQYLSRUSA-N 3 1 327.516 3.078 20 0 EGADMP c1cc2c(cc1CN1CCCC[C@@]3(CCCC[NH2+]C3)C1)C[NH2+]CC2 ZINC001222173554 1373818665 /nfs/dbraw/zinc/81/86/65/1373818665.db2.gz UZKRFZKWGZGUTA-OAQYLSRUSA-N 2 1 327.516 3.078 20 0 EGADMP Fc1cc(F)cc(-c2n[nH]cc2C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001222272625 1373823060 /nfs/dbraw/zinc/82/30/60/1373823060.db2.gz XKNSXAVOUCWJBQ-IBGZPJMESA-N 2 1 346.425 3.321 20 0 EGADMP Fc1cc(F)cc(-c2n[nH]cc2C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001222272625 1373823063 /nfs/dbraw/zinc/82/30/63/1373823063.db2.gz XKNSXAVOUCWJBQ-IBGZPJMESA-N 2 1 346.425 3.321 20 0 EGADMP Oc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1OC(F)(F)F ZINC001222278046 1373823815 /nfs/dbraw/zinc/82/38/15/1373823815.db2.gz WLYONVFUKVWRKG-INIZCTEOSA-N 2 1 344.377 3.256 20 0 EGADMP Oc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1OC(F)(F)F ZINC001222278046 1373823819 /nfs/dbraw/zinc/82/38/19/1373823819.db2.gz WLYONVFUKVWRKG-INIZCTEOSA-N 2 1 344.377 3.256 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C3CC[NH+](C)CC3)cc2)C1 ZINC001188313412 1388287813 /nfs/dbraw/zinc/28/78/13/1388287813.db2.gz PJPWCUWLEFJMCK-FQEVSTJZSA-N 2 1 343.515 3.051 20 0 EGADMP CCCCCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001223163908 1375033252 /nfs/dbraw/zinc/03/32/52/1375033252.db2.gz ATERRNUTPBXXJI-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCCC(C)(C)C)[C@H]2C1 ZINC001223847185 1375045434 /nfs/dbraw/zinc/04/54/34/1375045434.db2.gz ZBKANUKCUCUFQP-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CCCC(C)(C)C)[C@H]2C1 ZINC001223847185 1375045441 /nfs/dbraw/zinc/04/54/41/1375045441.db2.gz ZBKANUKCUCUFQP-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CCCC(C)(C)C)[C@H]2C1 ZINC001223847185 1375045444 /nfs/dbraw/zinc/04/54/44/1375045444.db2.gz ZBKANUKCUCUFQP-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1c(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)ccc2c[nH+]cn21 ZINC001326961763 1388358418 /nfs/dbraw/zinc/35/84/18/1388358418.db2.gz IGAZNVWDJIDLJN-QGZVFWFLSA-N 2 1 340.471 3.170 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CC1CC2(CCC2)C1 ZINC001132105765 1375150809 /nfs/dbraw/zinc/15/08/09/1375150809.db2.gz MMFBQKVCSHOIPL-SJLPKXTDSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CC1CC2(CCC2)C1 ZINC001132105765 1375150810 /nfs/dbraw/zinc/15/08/10/1375150810.db2.gz MMFBQKVCSHOIPL-SJLPKXTDSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CC1CC2(CCC2)C1 ZINC001132105765 1375150812 /nfs/dbraw/zinc/15/08/12/1375150812.db2.gz MMFBQKVCSHOIPL-SJLPKXTDSA-N 2 1 347.547 3.020 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132129823 1375160747 /nfs/dbraw/zinc/16/07/47/1375160747.db2.gz YYFFLZSMRBQGFR-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@H+]1CC1CCC1 ZINC001132141595 1375167483 /nfs/dbraw/zinc/16/74/83/1375167483.db2.gz SKEHNWZYJJDHTI-FUHWJXTLSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[NH+]1CC1CCC1 ZINC001132141595 1375167484 /nfs/dbraw/zinc/16/74/84/1375167484.db2.gz SKEHNWZYJJDHTI-FUHWJXTLSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[NH+]1CC1CCC1 ZINC001132141595 1375167485 /nfs/dbraw/zinc/16/74/85/1375167485.db2.gz SKEHNWZYJJDHTI-FUHWJXTLSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132140818 1375167606 /nfs/dbraw/zinc/16/76/06/1375167606.db2.gz LELLGYQIMQWKGC-DLBZAZTESA-N 2 1 337.552 3.409 20 0 EGADMP CCCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132140818 1375167611 /nfs/dbraw/zinc/16/76/11/1375167611.db2.gz LELLGYQIMQWKGC-DLBZAZTESA-N 2 1 337.552 3.409 20 0 EGADMP CCCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132140818 1375167614 /nfs/dbraw/zinc/16/76/14/1375167614.db2.gz LELLGYQIMQWKGC-DLBZAZTESA-N 2 1 337.552 3.409 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccccc2C)C1 ZINC001132152857 1375172506 /nfs/dbraw/zinc/17/25/06/1375172506.db2.gz JRHHQNFQISSIDI-IEBWSBKVSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C)C1 ZINC001132152857 1375172508 /nfs/dbraw/zinc/17/25/08/1375172508.db2.gz JRHHQNFQISSIDI-IEBWSBKVSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C)C1 ZINC001132152857 1375172511 /nfs/dbraw/zinc/17/25/11/1375172511.db2.gz JRHHQNFQISSIDI-IEBWSBKVSA-N 2 1 345.531 3.194 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132152968 1375172915 /nfs/dbraw/zinc/17/29/15/1375172915.db2.gz LSIQLIGIKMPCSJ-DLBZAZTESA-N 2 1 325.541 3.266 20 0 EGADMP CCCCCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132152968 1375172918 /nfs/dbraw/zinc/17/29/18/1375172918.db2.gz LSIQLIGIKMPCSJ-DLBZAZTESA-N 2 1 325.541 3.266 20 0 EGADMP CCCCCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132152968 1375172921 /nfs/dbraw/zinc/17/29/21/1375172921.db2.gz LSIQLIGIKMPCSJ-DLBZAZTESA-N 2 1 325.541 3.266 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(C)C ZINC001226323598 1375240561 /nfs/dbraw/zinc/24/05/61/1375240561.db2.gz PEQWYLGZMIRRHP-GVDBMIGSSA-N 2 1 334.508 3.070 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)c1 ZINC001132264882 1375254445 /nfs/dbraw/zinc/25/44/45/1375254445.db2.gz DEUZGHVRRLOEKW-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@H+]1CC1CCCC1 ZINC001132311847 1375290554 /nfs/dbraw/zinc/29/05/54/1375290554.db2.gz YZXGMRXMQZKEEK-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[NH+]1CC1CCCC1 ZINC001132311847 1375290556 /nfs/dbraw/zinc/29/05/56/1375290556.db2.gz YZXGMRXMQZKEEK-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[NH+]1CC1CCCC1 ZINC001132311847 1375290558 /nfs/dbraw/zinc/29/05/58/1375290558.db2.gz YZXGMRXMQZKEEK-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001226775609 1375331385 /nfs/dbraw/zinc/33/13/85/1375331385.db2.gz UCTJCYFZMZBTMC-GUDVDZBRSA-N 2 1 335.536 3.211 20 0 EGADMP CCc1ccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]2C)cc1 ZINC001132374962 1375339644 /nfs/dbraw/zinc/33/96/44/1375339644.db2.gz BHKONFXBFXISNM-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001132380743 1375340892 /nfs/dbraw/zinc/34/08/92/1375340892.db2.gz OQKORCLYWCHVOX-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001132388497 1375345707 /nfs/dbraw/zinc/34/57/07/1375345707.db2.gz MZZQLNRMGXYWSS-YKMDAGRBSA-N 2 1 349.563 3.432 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001132392698 1375348672 /nfs/dbraw/zinc/34/86/72/1375348672.db2.gz OSFNJNWSUJXSDG-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001132425660 1375373456 /nfs/dbraw/zinc/37/34/56/1375373456.db2.gz KJZQZEAOTHQQKK-DLBZAZTESA-N 2 1 346.519 3.311 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001132425660 1375373462 /nfs/dbraw/zinc/37/34/62/1375373462.db2.gz KJZQZEAOTHQQKK-DLBZAZTESA-N 2 1 346.519 3.311 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CC1CC2(CCC2)C1 ZINC001132434513 1375378902 /nfs/dbraw/zinc/37/89/02/1375378902.db2.gz XYKVODRVQXKWOQ-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132435388 1375379597 /nfs/dbraw/zinc/37/95/97/1375379597.db2.gz CMMKLVFLMPGKER-FAPWYTRCSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001132435388 1375379603 /nfs/dbraw/zinc/37/96/03/1375379603.db2.gz CMMKLVFLMPGKER-FAPWYTRCSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132435388 1375379607 /nfs/dbraw/zinc/37/96/07/1375379607.db2.gz CMMKLVFLMPGKER-FAPWYTRCSA-N 2 1 337.552 3.434 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CCC1CCCC1 ZINC001132434639 1375380100 /nfs/dbraw/zinc/38/01/00/1375380100.db2.gz ZWYDFCOPHCUYCB-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1CC[NH+](C[C@H](C)CC)CC1 ZINC001227464419 1375433562 /nfs/dbraw/zinc/43/35/62/1375433562.db2.gz IMERBAUQPBFKSP-HZPDHXFCSA-N 2 1 334.508 3.023 20 0 EGADMP Cc1cc(C)cc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]2C)c1 ZINC001132517336 1375435467 /nfs/dbraw/zinc/43/54/67/1375435467.db2.gz BCPVOVDXSTZIGM-QUCCMNQESA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cc(C)cc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)c1 ZINC001132517336 1375435472 /nfs/dbraw/zinc/43/54/72/1375435472.db2.gz BCPVOVDXSTZIGM-QUCCMNQESA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cc(C)cc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)c1 ZINC001132517336 1375435473 /nfs/dbraw/zinc/43/54/73/1375435473.db2.gz BCPVOVDXSTZIGM-QUCCMNQESA-N 2 1 345.531 3.113 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1Cc1ccsc1 ZINC001132524210 1375440649 /nfs/dbraw/zinc/44/06/49/1375440649.db2.gz FOVWLSIEQGFTKB-WMZOPIPTSA-N 2 1 349.544 3.093 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1Cc1ccsc1 ZINC001132524207 1375440713 /nfs/dbraw/zinc/44/07/13/1375440713.db2.gz FOVWLSIEQGFTKB-AEFFLSMTSA-N 2 1 349.544 3.093 20 0 EGADMP CC/C=C/CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001227791725 1375475202 /nfs/dbraw/zinc/47/52/02/1375475202.db2.gz GBUGHBGNVOTHTM-WUUFJKRQSA-N 2 1 347.547 3.330 20 0 EGADMP CCc1ccc(C[NH+]2CCC(NC(=O)C(C)(C)[N@H+](C)CC)CC2)cc1 ZINC001228065916 1375514878 /nfs/dbraw/zinc/51/48/78/1375514878.db2.gz TVSVOWKAIXNBPG-UHFFFAOYSA-N 2 1 345.531 3.060 20 0 EGADMP C[NH+](C)Cc1c(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)ccc2ccccc21 ZINC001228440344 1375572989 /nfs/dbraw/zinc/57/29/89/1375572989.db2.gz CMKCFSJJXLWHGT-NYSBEXSLSA-N 2 1 338.451 3.084 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](Oc2ccc(Br)c(C[NH+](C)C)c2)C1 ZINC001228545863 1375592960 /nfs/dbraw/zinc/59/29/60/1375592960.db2.gz OOOQZCWHHPRAHC-OAHLLOKOSA-N 2 1 341.293 3.372 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](Oc2ccc(Br)c(C[NH+](C)C)c2)C1 ZINC001228545863 1375592975 /nfs/dbraw/zinc/59/29/75/1375592975.db2.gz OOOQZCWHHPRAHC-OAHLLOKOSA-N 2 1 341.293 3.372 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C ZINC001228852400 1375693319 /nfs/dbraw/zinc/69/33/19/1375693319.db2.gz KIHRFMBBZVJRBP-IAGOWNOFSA-N 2 1 348.535 3.460 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001228852934 1375694831 /nfs/dbraw/zinc/69/48/31/1375694831.db2.gz LTTXHXGENIMQLX-QZTJIDSGSA-N 2 1 348.535 3.460 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl ZINC001228932722 1375720080 /nfs/dbraw/zinc/72/00/80/1375720080.db2.gz SSLQGWOSZADHSM-XCNBPSFOSA-N 2 1 341.927 3.019 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(C)C)C1 ZINC001133185656 1375829723 /nfs/dbraw/zinc/82/97/23/1375829723.db2.gz GYSNPMGQKDIAEV-OALUTQOASA-N 2 1 339.568 3.229 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133225840 1375853723 /nfs/dbraw/zinc/85/37/23/1375853723.db2.gz KPHUIUMFBNELAF-MSOLQXFVSA-N 2 1 339.568 3.229 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001230016629 1375931705 /nfs/dbraw/zinc/93/17/05/1375931705.db2.gz QRGIXAXEFOCXRJ-YLJYHZDGSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133345455 1375933710 /nfs/dbraw/zinc/93/37/10/1375933710.db2.gz CJZIODNXPMIOFS-ICSRJNTNSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001230598362 1376093286 /nfs/dbraw/zinc/09/32/86/1376093286.db2.gz MFPQNMOHJVXCQM-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001230598362 1376093290 /nfs/dbraw/zinc/09/32/90/1376093290.db2.gz MFPQNMOHJVXCQM-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230598787 1376094586 /nfs/dbraw/zinc/09/45/86/1376094586.db2.gz YYOFSUQDYRJQSI-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001230621948 1376104905 /nfs/dbraw/zinc/10/49/05/1376104905.db2.gz JESONUOSAVVQRB-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001230621948 1376104909 /nfs/dbraw/zinc/10/49/09/1376104909.db2.gz JESONUOSAVVQRB-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001133908252 1376260040 /nfs/dbraw/zinc/26/00/40/1376260040.db2.gz JEVQPPMMVWMAAH-KRWDZBQOSA-N 2 1 333.520 3.048 20 0 EGADMP Cc1cc(CN2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)cc(C)n1 ZINC001231996783 1376375637 /nfs/dbraw/zinc/37/56/37/1376375637.db2.gz HCOUJWHYXDAVSY-HXUWFJFHSA-N 2 1 331.504 3.021 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CCC[C@@]1(O)C(F)(F)F ZINC001232012271 1376382973 /nfs/dbraw/zinc/38/29/73/1376382973.db2.gz XXUCKOKAKDZHQE-NHYWBVRUSA-N 2 1 327.350 3.088 20 0 EGADMP CCC[C@H](COC)[N@@H+](CCC(=O)OCC)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016752 1376385374 /nfs/dbraw/zinc/38/53/74/1376385374.db2.gz FJKYNRQZGQMLDI-QGZVFWFLSA-N 2 1 347.459 3.133 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC001232144656 1376408271 /nfs/dbraw/zinc/40/82/71/1376408271.db2.gz MOTXTIUSEJOSAR-MRXNPFEDSA-N 2 1 348.384 3.167 20 0 EGADMP Nc1ccc(CN2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC001232369824 1376451469 /nfs/dbraw/zinc/45/14/69/1376451469.db2.gz OSSJBYUOPCKUGT-NRFANRHFSA-N 2 1 336.483 3.152 20 0 EGADMP CNc1ccccc1CN1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001232669239 1376497428 /nfs/dbraw/zinc/49/74/28/1376497428.db2.gz CNIUDSFQMAPKDO-PZJWPPBQSA-N 2 1 343.515 3.051 20 0 EGADMP C[NH+]1CCC(C2CC[NH+](Cc3ccc(Br)[nH]3)CC2)CC1 ZINC001232687532 1376502704 /nfs/dbraw/zinc/50/27/04/1376502704.db2.gz FZBXPHPBMSBSQE-UHFFFAOYSA-N 2 1 340.309 3.331 20 0 EGADMP CC[C@@H]([NH2+]CCNC(=O)CCn1cc[nH+]c1C(C)C)c1ccccc1 ZINC001134725823 1376679719 /nfs/dbraw/zinc/67/97/19/1376679719.db2.gz KCIJXMHDJVBEFW-GOSISDBHSA-N 2 1 342.487 3.254 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)[NH2+]C/C=C/Cl ZINC001134790399 1376723400 /nfs/dbraw/zinc/72/34/00/1376723400.db2.gz BUTCQIMIPRTQNF-LMSYVIICSA-N 2 1 343.943 3.265 20 0 EGADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235021287 1376828812 /nfs/dbraw/zinc/82/88/12/1376828812.db2.gz GSFQPLSCZMRREI-NRFANRHFSA-N 2 1 346.515 3.293 20 0 EGADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235021287 1376828817 /nfs/dbraw/zinc/82/88/17/1376828817.db2.gz GSFQPLSCZMRREI-NRFANRHFSA-N 2 1 346.515 3.293 20 0 EGADMP Cc1cc(Cl)c(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001235040706 1376839146 /nfs/dbraw/zinc/83/91/46/1376839146.db2.gz NEPGHGBYGTURIO-MLGOLLRUSA-N 2 1 329.271 3.112 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001135029681 1376857331 /nfs/dbraw/zinc/85/73/31/1376857331.db2.gz QNOBVBQJBONWLN-IRXDYDNUSA-N 2 1 348.535 3.425 20 0 EGADMP [O-]c1cc(F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235428347 1376869660 /nfs/dbraw/zinc/86/96/60/1376869660.db2.gz PORHNILZPFTYEW-CHWSQXEVSA-N 2 1 326.843 3.396 20 0 EGADMP [O-]c1cc(F)c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235428347 1376869663 /nfs/dbraw/zinc/86/96/63/1376869663.db2.gz PORHNILZPFTYEW-CHWSQXEVSA-N 2 1 326.843 3.396 20 0 EGADMP CCOC(=O)c1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235428817 1376869999 /nfs/dbraw/zinc/86/99/99/1376869999.db2.gz RFLXVEQPEROCFQ-IAGOWNOFSA-N 2 1 330.472 3.075 20 0 EGADMP Fc1cccc(CN2CC[C@@]23CCC[N@@H+](CCC2CC[NH2+]CC2)C3)c1 ZINC001235630320 1376878972 /nfs/dbraw/zinc/87/89/72/1376878972.db2.gz YYQPTQWPXVZGFI-OAQYLSRUSA-N 2 1 345.506 3.256 20 0 EGADMP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135077599 1376882370 /nfs/dbraw/zinc/88/23/70/1376882370.db2.gz PYCJJQQSNJKQDQ-ZWKOTPCHSA-N 2 1 337.552 3.480 20 0 EGADMP COc1ncc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1Cl ZINC001235702722 1376884523 /nfs/dbraw/zinc/88/45/23/1376884523.db2.gz WPBFXLJJHAKXNH-UHFFFAOYSA-N 2 1 325.884 3.296 20 0 EGADMP Cc1cc(Br)cc(C)c1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001235784124 1376895790 /nfs/dbraw/zinc/89/57/90/1376895790.db2.gz MXHVTKNLKISDPY-CABCVRRESA-N 2 1 337.305 3.449 20 0 EGADMP Cc1cc(Br)cc(C)c1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001235784124 1376895800 /nfs/dbraw/zinc/89/58/00/1376895800.db2.gz MXHVTKNLKISDPY-CABCVRRESA-N 2 1 337.305 3.449 20 0 EGADMP Cc1cc(Br)cc(C)c1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001235784124 1376895809 /nfs/dbraw/zinc/89/58/09/1376895809.db2.gz MXHVTKNLKISDPY-CABCVRRESA-N 2 1 337.305 3.449 20 0 EGADMP Cc1csc2sc(C[N@H+]3CCC[C@@H](N4CC([NH3+])C4)C3)c(C)c12 ZINC001236077482 1376932436 /nfs/dbraw/zinc/93/24/36/1376932436.db2.gz IDWRMTZPQPDWEA-CQSZACIVSA-N 2 1 335.542 3.187 20 0 EGADMP CCC[N@@H+](Cc1cc(Cl)cc(OC)c1OC)C1CC[NH2+]CC1 ZINC001236182439 1376939858 /nfs/dbraw/zinc/93/98/58/1376939858.db2.gz OVSVKDGUBGNMCM-UHFFFAOYSA-N 2 1 326.868 3.321 20 0 EGADMP CCC[N@H+](Cc1cc(Cl)cc(OC)c1OC)C1CC[NH2+]CC1 ZINC001236182439 1376939857 /nfs/dbraw/zinc/93/98/57/1376939857.db2.gz OVSVKDGUBGNMCM-UHFFFAOYSA-N 2 1 326.868 3.321 20 0 EGADMP Clc1ccccc1C[N@H+](CC[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001236449762 1376952834 /nfs/dbraw/zinc/95/28/34/1376952834.db2.gz AJKPDWMZCIUEFS-MRXNPFEDSA-N 3 1 335.923 3.284 20 0 EGADMP Clc1ccccc1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC001236449762 1376952838 /nfs/dbraw/zinc/95/28/38/1376952838.db2.gz AJKPDWMZCIUEFS-MRXNPFEDSA-N 3 1 335.923 3.284 20 0 EGADMP C[C@]1([NH3+])CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001246541489 1377052109 /nfs/dbraw/zinc/05/21/09/1377052109.db2.gz NYNXMXILZITCDW-WOZUAGRISA-N 2 1 327.516 3.385 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+]1[C@@H](C)CCc1ccc(Br)cc1 ZINC001246938952 1377055979 /nfs/dbraw/zinc/05/59/79/1377055979.db2.gz QCZNQMIZEFZYOD-XJKSGUPXSA-N 2 1 325.294 3.454 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+]1[C@@H](C)CCc1ccc(Br)cc1 ZINC001246938952 1377055982 /nfs/dbraw/zinc/05/59/82/1377055982.db2.gz QCZNQMIZEFZYOD-XJKSGUPXSA-N 2 1 325.294 3.454 20 0 EGADMP COC(=O)CC1CCC([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)CC1 ZINC001246938354 1377056450 /nfs/dbraw/zinc/05/64/50/1377056450.db2.gz PDLDHYBSSWWPET-TVRKMHQQSA-N 2 1 336.520 3.353 20 0 EGADMP CCCC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC001252395193 1377089167 /nfs/dbraw/zinc/08/91/67/1377089167.db2.gz YEJHXEUIPLHLGV-IBGZPJMESA-N 2 1 344.499 3.291 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001135441040 1377098480 /nfs/dbraw/zinc/09/84/80/1377098480.db2.gz YGTYBFADEPJYPB-INIZCTEOSA-N 2 1 337.483 3.105 20 0 EGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254510383 1377104978 /nfs/dbraw/zinc/10/49/78/1377104978.db2.gz VERQTJNKSMRUTP-ZFWWWQNUSA-N 2 1 325.294 3.454 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC001254509345 1377105431 /nfs/dbraw/zinc/10/54/31/1377105431.db2.gz ZSHKFIRGGDMRAQ-DLBZAZTESA-N 2 1 337.305 3.380 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC001254510488 1377105640 /nfs/dbraw/zinc/10/56/40/1377105640.db2.gz XAVXOGBGXVALAO-GOSISDBHSA-N 2 1 335.923 3.378 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+]C2CCN(Cc3cc(F)cc(F)c3)CC2)CC1 ZINC001254508457 1377105836 /nfs/dbraw/zinc/10/58/36/1377105836.db2.gz JDKNIAXHHIYYEC-SFHVURJKSA-N 2 1 337.458 3.003 20 0 EGADMP C[N@H+]1CCC[C@@H](N2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526681 1377106930 /nfs/dbraw/zinc/10/69/30/1377106930.db2.gz STROCVWABRHPKW-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@@H](N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001254526681 1377106933 /nfs/dbraw/zinc/10/69/33/1377106933.db2.gz STROCVWABRHPKW-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@@H](N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001254526681 1377106936 /nfs/dbraw/zinc/10/69/36/1377106936.db2.gz STROCVWABRHPKW-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP Cc1cc2ccccc2nc1N1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254529762 1377107394 /nfs/dbraw/zinc/10/73/94/1377107394.db2.gz PVPXPLFVQYHKGF-IBGZPJMESA-N 2 1 338.499 3.150 20 0 EGADMP Cc1cc2ccccc2nc1N1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254529762 1377107395 /nfs/dbraw/zinc/10/73/95/1377107395.db2.gz PVPXPLFVQYHKGF-IBGZPJMESA-N 2 1 338.499 3.150 20 0 EGADMP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477268 1377111790 /nfs/dbraw/zinc/11/17/90/1377111790.db2.gz UIDVBCFYOYITSI-IAGOWNOFSA-N 2 1 325.541 3.172 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135477249 1377111850 /nfs/dbraw/zinc/11/18/50/1377111850.db2.gz UANKSIGBSOOEJW-HZPDHXFCSA-N 2 1 327.557 3.273 20 0 EGADMP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135680459 1377182230 /nfs/dbraw/zinc/18/22/30/1377182230.db2.gz WEFKBRQHBGOKPK-IAGOWNOFSA-N 2 1 336.524 3.425 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001266190279 1377221120 /nfs/dbraw/zinc/22/11/20/1377221120.db2.gz RKDGQRNTIVAYMD-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135860706 1377237931 /nfs/dbraw/zinc/23/79/31/1377237931.db2.gz GOERGKNEHVDNFO-DLBZAZTESA-N 2 1 339.568 3.418 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135977275 1377284526 /nfs/dbraw/zinc/28/45/26/1377284526.db2.gz REOZLOLDAGVNHY-QZTJIDSGSA-N 2 1 333.520 3.018 20 0 EGADMP Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)[NH+]2CCCC2)cc1 ZINC001136479583 1377397393 /nfs/dbraw/zinc/39/73/93/1377397393.db2.gz OHOJENNPJZMTLS-MOPGFXCFSA-N 2 1 343.515 3.121 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC1CC(C)C1 ZINC001267314975 1377439924 /nfs/dbraw/zinc/43/99/24/1377439924.db2.gz XSEMREDUCNTKSW-QLOJAFMTSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CC1CC(C)C1 ZINC001267314975 1377439926 /nfs/dbraw/zinc/43/99/26/1377439926.db2.gz XSEMREDUCNTKSW-QLOJAFMTSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CC1CC(C)C1 ZINC001267314975 1377439928 /nfs/dbraw/zinc/43/99/28/1377439928.db2.gz XSEMREDUCNTKSW-QLOJAFMTSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1ccc2c(C[N@@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)c[nH]c2c1 ZINC001136970217 1377447211 /nfs/dbraw/zinc/44/72/11/1377447211.db2.gz KFHXDZCVYLZWNV-BGYRXZFFSA-N 2 1 346.478 3.435 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)CC1 ZINC001267970972 1377481064 /nfs/dbraw/zinc/48/10/64/1377481064.db2.gz PQBUKVFBAFUNBH-CTWPCTMYSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1cccc2ncc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@H+]3C)n21 ZINC001137197662 1377494855 /nfs/dbraw/zinc/49/48/55/1377494855.db2.gz GCFSXAPACVZRMP-ZWKOTPCHSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1cccc2ncc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@@H+]3C)n21 ZINC001137197662 1377494857 /nfs/dbraw/zinc/49/48/57/1377494857.db2.gz GCFSXAPACVZRMP-ZWKOTPCHSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1cccc2ncc(C[N@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)n21 ZINC001137197662 1377494859 /nfs/dbraw/zinc/49/48/59/1377494859.db2.gz GCFSXAPACVZRMP-ZWKOTPCHSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1cccc2ncc(C[N@@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)n21 ZINC001137197662 1377494860 /nfs/dbraw/zinc/49/48/60/1377494860.db2.gz GCFSXAPACVZRMP-ZWKOTPCHSA-N 2 1 326.488 3.482 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001269234609 1377544865 /nfs/dbraw/zinc/54/48/65/1377544865.db2.gz BKCPRTNAHQTCPI-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP COC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3c(C)cccc3C)CC2)C1 ZINC001137852595 1377631103 /nfs/dbraw/zinc/63/11/03/1377631103.db2.gz IPJIYVKQCPMVOU-SFHVURJKSA-N 2 1 344.499 3.153 20 0 EGADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3c(C)cccc3C)CC2)C1 ZINC001137852595 1377631105 /nfs/dbraw/zinc/63/11/05/1377631105.db2.gz IPJIYVKQCPMVOU-SFHVURJKSA-N 2 1 344.499 3.153 20 0 EGADMP COc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c2c(OC)cccc12 ZINC001138754858 1377780551 /nfs/dbraw/zinc/78/05/51/1377780551.db2.gz NBJOWPYPEUXSAP-IIBYNOLFSA-N 2 1 340.467 3.241 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c2c(OC)cccc12 ZINC001138754858 1377780552 /nfs/dbraw/zinc/78/05/52/1377780552.db2.gz NBJOWPYPEUXSAP-IIBYNOLFSA-N 2 1 340.467 3.241 20 0 EGADMP COc1ccc2cc(C[NH+]3CC4(C3)CC[NH+](C)CC4)c(Cl)nc2c1 ZINC001139307788 1377865625 /nfs/dbraw/zinc/86/56/25/1377865625.db2.gz MOKFGSURTIFFFV-UHFFFAOYSA-N 2 1 345.874 3.424 20 0 EGADMP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccncc1O)CC2 ZINC001140274864 1378039023 /nfs/dbraw/zinc/03/90/23/1378039023.db2.gz NYLPPNWPFQIPNB-LJQANCHMSA-N 2 1 341.455 3.257 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccncc1O)CC2 ZINC001140274864 1378039024 /nfs/dbraw/zinc/03/90/24/1378039024.db2.gz NYLPPNWPFQIPNB-LJQANCHMSA-N 2 1 341.455 3.257 20 0 EGADMP c1csc(CN2C[C@@H]3C[N@H+](Cc4ccc5n[nH]cc5c4)C[C@@H]3C2)c1 ZINC001140385283 1378055177 /nfs/dbraw/zinc/05/51/77/1378055177.db2.gz ASOQHASCGCNYTP-CALCHBBNSA-N 2 1 338.480 3.188 20 0 EGADMP Cc1ccc(F)cc1CN1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001140590795 1378091241 /nfs/dbraw/zinc/09/12/41/1378091241.db2.gz LGDUWECEBLISOI-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1ccc(F)cc1C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001140590795 1378091245 /nfs/dbraw/zinc/09/12/45/1378091245.db2.gz LGDUWECEBLISOI-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1ccc(F)cc1C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001140590795 1378091248 /nfs/dbraw/zinc/09/12/48/1378091248.db2.gz LGDUWECEBLISOI-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001140590795 1378091252 /nfs/dbraw/zinc/09/12/52/1378091252.db2.gz LGDUWECEBLISOI-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001140590795 1378091254 /nfs/dbraw/zinc/09/12/54/1378091254.db2.gz LGDUWECEBLISOI-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP CC1CC(C[N@@H+](C)CCCN(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001273591424 1378105123 /nfs/dbraw/zinc/10/51/23/1378105123.db2.gz QWPLZYTXSSSCNP-UHFFFAOYSA-N 2 1 345.531 3.188 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc(CO)o1)CC2 ZINC001140680131 1378113064 /nfs/dbraw/zinc/11/30/64/1378113064.db2.gz PKJAGJKGKSVANP-LJQANCHMSA-N 2 1 344.455 3.242 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(Cl)ccc2N)CC1 ZINC001140715503 1378122947 /nfs/dbraw/zinc/12/29/47/1378122947.db2.gz MSRHZRQYKCDEIF-UHFFFAOYSA-N 2 1 330.863 3.365 20 0 EGADMP Cc1cc(F)ccc1CN1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001140779577 1378134177 /nfs/dbraw/zinc/13/41/77/1378134177.db2.gz RCRKZLPRAQVVTL-KDURUIRLSA-N 2 1 325.431 3.093 20 0 EGADMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1cccc3cc[nH]c31)CC2 ZINC001275164694 1378135985 /nfs/dbraw/zinc/13/59/85/1378135985.db2.gz PRBXVPZZLVENPF-UHFFFAOYSA-N 2 1 340.515 3.017 20 0 EGADMP C[NH+](C)CCN1CCC2(C1)CC[NH+](Cc1cccc3cc[nH]c31)CC2 ZINC001275164694 1378135986 /nfs/dbraw/zinc/13/59/86/1378135986.db2.gz PRBXVPZZLVENPF-UHFFFAOYSA-N 2 1 340.515 3.017 20 0 EGADMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc4cc[nH]c43)(C1)CCC2 ZINC001275164128 1378136014 /nfs/dbraw/zinc/13/60/14/1378136014.db2.gz DREBCIHGRRCMIJ-LEWJYISDSA-N 2 1 340.515 3.254 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801424 1378140254 /nfs/dbraw/zinc/14/02/54/1378140254.db2.gz NDBWWTPANRZSFW-PBHICJAKSA-N 2 1 342.443 3.004 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C[N@H+]2Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801424 1378140257 /nfs/dbraw/zinc/14/02/57/1378140257.db2.gz NDBWWTPANRZSFW-PBHICJAKSA-N 2 1 342.443 3.004 20 0 EGADMP CC[N@H+](CCN(C)C(=O)OC(C)(C)C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805980 1378143240 /nfs/dbraw/zinc/14/32/40/1378143240.db2.gz SAJHQPDBXMKQQW-UHFFFAOYSA-N 2 1 332.448 3.252 20 0 EGADMP CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805980 1378143242 /nfs/dbraw/zinc/14/32/42/1378143242.db2.gz SAJHQPDBXMKQQW-UHFFFAOYSA-N 2 1 332.448 3.252 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CC1 ZINC001275722649 1378153465 /nfs/dbraw/zinc/15/34/65/1378153465.db2.gz VEZBCWXBPSNETA-HDICACEKSA-N 2 1 338.455 3.043 20 0 EGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CC1 ZINC001275722649 1378153469 /nfs/dbraw/zinc/15/34/69/1378153469.db2.gz VEZBCWXBPSNETA-HDICACEKSA-N 2 1 338.455 3.043 20 0 EGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CC1 ZINC001275722649 1378153474 /nfs/dbraw/zinc/15/34/74/1378153474.db2.gz VEZBCWXBPSNETA-HDICACEKSA-N 2 1 338.455 3.043 20 0 EGADMP CCCCc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1 ZINC001276336870 1378172384 /nfs/dbraw/zinc/17/23/84/1378172384.db2.gz SPHFZGOSKCBUFP-SFTDATJTSA-N 2 1 329.532 3.239 20 0 EGADMP C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@]23CC[N@@H+](CCC(C)(C)C)C3)CC1 ZINC001277254604 1378213061 /nfs/dbraw/zinc/21/30/61/1378213061.db2.gz UXVSAUZVELZLKR-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)(CO)C[NH+]1CCC[C@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001277962624 1378253667 /nfs/dbraw/zinc/25/36/67/1378253667.db2.gz CKHMUSMPDRNQQV-MRXNPFEDSA-N 2 1 336.442 3.135 20 0 EGADMP CC(C)(CO)C[NH+]1CCC[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001277962624 1378253671 /nfs/dbraw/zinc/25/36/71/1378253671.db2.gz CKHMUSMPDRNQQV-MRXNPFEDSA-N 2 1 336.442 3.135 20 0 EGADMP CC(C)(CO)C[N@@H+]1CCC[C@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001277962624 1378253661 /nfs/dbraw/zinc/25/36/61/1378253661.db2.gz CKHMUSMPDRNQQV-MRXNPFEDSA-N 2 1 336.442 3.135 20 0 EGADMP CC(C)(CO)C[N@H+]1CCC[C@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001277962624 1378253665 /nfs/dbraw/zinc/25/36/65/1378253665.db2.gz CKHMUSMPDRNQQV-MRXNPFEDSA-N 2 1 336.442 3.135 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(C(F)(F)F)nn2)CC1 ZINC001141495441 1378334262 /nfs/dbraw/zinc/33/42/62/1378334262.db2.gz CEGJSVBAUWZOPW-UHFFFAOYSA-N 2 1 330.398 3.048 20 0 EGADMP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001280367969 1378344356 /nfs/dbraw/zinc/34/43/56/1378344356.db2.gz XTXKXKZFQMUUQX-GUDVDZBRSA-N 2 1 337.552 3.027 20 0 EGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3OC)C[C@H]2C1 ZINC001141611587 1378350833 /nfs/dbraw/zinc/35/08/33/1378350833.db2.gz DMEVDPDZXUIYFD-GASCZTMLSA-N 2 1 342.405 3.488 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001280770153 1378372524 /nfs/dbraw/zinc/37/25/24/1378372524.db2.gz OACCNBZEMGEDJA-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001280770153 1378372527 /nfs/dbraw/zinc/37/25/27/1378372527.db2.gz OACCNBZEMGEDJA-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001280770153 1378372531 /nfs/dbraw/zinc/37/25/31/1378372531.db2.gz OACCNBZEMGEDJA-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)cc(OC(F)(F)F)c3)C[C@H]2C1 ZINC001143472630 1378601254 /nfs/dbraw/zinc/60/12/54/1378601254.db2.gz RYCUZGLZVZHHMO-HUUCEWRRSA-N 2 1 328.378 3.277 20 0 EGADMP COc1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c(C(F)(F)F)c1 ZINC001143482976 1378602235 /nfs/dbraw/zinc/60/22/35/1378602235.db2.gz CEGGXVRWLBMXKB-UHFFFAOYSA-N 2 1 328.378 3.242 20 0 EGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1C(F)(F)F ZINC001143638675 1378628701 /nfs/dbraw/zinc/62/87/01/1378628701.db2.gz ZBRZAHSYLUJKQB-UHFFFAOYSA-N 2 1 330.394 3.488 20 0 EGADMP C[NH+]1CCC2(C[NH+](Cc3ccc(OC(F)(F)F)cc3F)C2)CC1 ZINC001143791617 1378646240 /nfs/dbraw/zinc/64/62/40/1378646240.db2.gz XGMZBJJSGUXXAU-UHFFFAOYSA-N 2 1 332.341 3.252 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)CC(C)(C)C ZINC001143898145 1378657747 /nfs/dbraw/zinc/65/77/47/1378657747.db2.gz ZZSHNPGOBSBJLU-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC001144717159 1378763486 /nfs/dbraw/zinc/76/34/86/1378763486.db2.gz DJNFIDXJHGMLKT-UHFFFAOYSA-N 2 1 327.472 3.243 20 0 EGADMP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC001144717159 1378763489 /nfs/dbraw/zinc/76/34/89/1378763489.db2.gz DJNFIDXJHGMLKT-UHFFFAOYSA-N 2 1 327.472 3.243 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001146333937 1378819200 /nfs/dbraw/zinc/81/92/00/1378819200.db2.gz SJPPDSQDUDYDDN-HZPDHXFCSA-N 2 1 334.508 3.035 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001146334131 1378819752 /nfs/dbraw/zinc/81/97/52/1378819752.db2.gz VAJCFWSTLZFOQS-JKSUJKDBSA-N 2 1 334.508 3.035 20 0 EGADMP Cc1ccccc1CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146601652 1378875690 /nfs/dbraw/zinc/87/56/90/1378875690.db2.gz NMCHLBRQCDFABE-RBUKOAKNSA-N 2 1 347.547 3.141 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](CC)c1ccccc1 ZINC001147358662 1379008347 /nfs/dbraw/zinc/00/83/47/1379008347.db2.gz HUSUXXGWSLFTBA-VQTJNVASSA-N 2 1 345.531 3.498 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147742645 1379069956 /nfs/dbraw/zinc/06/99/56/1379069956.db2.gz MUCYLDUZZDHSLF-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001147742645 1379069959 /nfs/dbraw/zinc/06/99/59/1379069959.db2.gz MUCYLDUZZDHSLF-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001147742645 1379069963 /nfs/dbraw/zinc/06/99/63/1379069963.db2.gz MUCYLDUZZDHSLF-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001147889660 1379097321 /nfs/dbraw/zinc/09/73/21/1379097321.db2.gz HROAAOPMGOWHLF-UHFFFAOYSA-N 2 1 340.471 3.063 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC2(C1)CC[N@@H+](CC=C(C)C)C2 ZINC001148591350 1379219166 /nfs/dbraw/zinc/21/91/66/1379219166.db2.gz RQJWMQDQNAWFSB-UHFFFAOYSA-N 2 1 349.563 3.389 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148625549 1379228044 /nfs/dbraw/zinc/22/80/44/1379228044.db2.gz CRCLPPBMGNHLCI-GOSISDBHSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC[C@@H]1CCC[C@@H](C)C1)C2 ZINC001148652173 1379234074 /nfs/dbraw/zinc/23/40/74/1379234074.db2.gz YGETXGYULPGZCI-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CC[C@@H]1CCC[C@@H](C)C1)C2 ZINC001148652173 1379234077 /nfs/dbraw/zinc/23/40/77/1379234077.db2.gz YGETXGYULPGZCI-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CC[C@@H]1CCC[C@@H](C)C1)C2 ZINC001148652173 1379234078 /nfs/dbraw/zinc/23/40/78/1379234078.db2.gz YGETXGYULPGZCI-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001148827922 1379278207 /nfs/dbraw/zinc/27/82/07/1379278207.db2.gz RORCYKXROSHOBF-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2c(C)cccc2C)C1 ZINC001284244537 1379628526 /nfs/dbraw/zinc/62/85/26/1379628526.db2.gz RISWMCSWLUFPNM-RBUKOAKNSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001151903759 1379813767 /nfs/dbraw/zinc/81/37/67/1379813767.db2.gz TVLHKSMLIQRHPS-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001152529531 1379945837 /nfs/dbraw/zinc/94/58/37/1379945837.db2.gz QSHARPXRYSBUGF-PXNSSMCTSA-N 2 1 339.483 3.065 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153312284 1380053267 /nfs/dbraw/zinc/05/32/67/1380053267.db2.gz CWJXEBHUSCXFOB-MSOLQXFVSA-N 2 1 325.541 3.266 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153312284 1380053271 /nfs/dbraw/zinc/05/32/71/1380053271.db2.gz CWJXEBHUSCXFOB-MSOLQXFVSA-N 2 1 325.541 3.266 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153312284 1380053276 /nfs/dbraw/zinc/05/32/76/1380053276.db2.gz CWJXEBHUSCXFOB-MSOLQXFVSA-N 2 1 325.541 3.266 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153312527 1380053739 /nfs/dbraw/zinc/05/37/39/1380053739.db2.gz JGFGZTQUURTZCD-SJORKVTESA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153312527 1380053743 /nfs/dbraw/zinc/05/37/43/1380053743.db2.gz JGFGZTQUURTZCD-SJORKVTESA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153312527 1380053747 /nfs/dbraw/zinc/05/37/47/1380053747.db2.gz JGFGZTQUURTZCD-SJORKVTESA-N 2 1 325.541 3.122 20 0 EGADMP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153388255 1380068415 /nfs/dbraw/zinc/06/84/15/1380068415.db2.gz YGCGILYILVFCIC-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC2CC3(CCC3)C2)CC[N@H+]1C ZINC001153506871 1380086485 /nfs/dbraw/zinc/08/64/85/1380086485.db2.gz HHBNGGXXAMDUHZ-NZSAHSFTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC2CC3(CCC3)C2)CC[NH+]1C ZINC001153506871 1380086487 /nfs/dbraw/zinc/08/64/87/1380086487.db2.gz HHBNGGXXAMDUHZ-NZSAHSFTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC2CC3(CCC3)C2)CC[NH+]1C ZINC001153506871 1380086489 /nfs/dbraw/zinc/08/64/89/1380086489.db2.gz HHBNGGXXAMDUHZ-NZSAHSFTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153879587 1380148276 /nfs/dbraw/zinc/14/82/76/1380148276.db2.gz JYPSNTWJZZWTJB-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCCC(C)C)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153879587 1380148277 /nfs/dbraw/zinc/14/82/77/1380148277.db2.gz JYPSNTWJZZWTJB-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCCC(C)C)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153879587 1380148279 /nfs/dbraw/zinc/14/82/79/1380148279.db2.gz JYPSNTWJZZWTJB-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP CCc1cccc(C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001153930696 1380157044 /nfs/dbraw/zinc/15/70/44/1380157044.db2.gz XKLVSYCILZDCIW-XLIONFOSSA-N 2 1 347.547 3.162 20 0 EGADMP CC[N@@H+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154030043 1380186267 /nfs/dbraw/zinc/18/62/67/1380186267.db2.gz VEPKWGVNYNBWHG-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154030043 1380186268 /nfs/dbraw/zinc/18/62/68/1380186268.db2.gz VEPKWGVNYNBWHG-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154030043 1380186270 /nfs/dbraw/zinc/18/62/70/1380186270.db2.gz VEPKWGVNYNBWHG-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178461 1380222126 /nfs/dbraw/zinc/22/21/26/1380222126.db2.gz JSQYVZOGTOFPSV-DLBZAZTESA-N 2 1 344.503 3.457 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455689 1380280953 /nfs/dbraw/zinc/28/09/53/1380280953.db2.gz ZWILBCDQRDEUPG-LJJUJYJISA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888844 1380373570 /nfs/dbraw/zinc/37/35/70/1380373570.db2.gz WIVDDZSHFUSTDH-HLRDLLSLSA-N 2 1 335.492 3.138 20 0 EGADMP C[C@@H]1C[C@@H](CNc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[NH2+]1 ZINC001155101530 1380409016 /nfs/dbraw/zinc/40/90/16/1380409016.db2.gz YSFIASBTXKITCK-SJLPKXTDSA-N 2 1 336.483 3.050 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC1=CCCCC1)[NH+](CC)CC ZINC001155175597 1380419703 /nfs/dbraw/zinc/41/97/03/1380419703.db2.gz YQGUMKPVBOVBTG-MJGOQNOKSA-N 2 1 337.552 3.434 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C)cc1)[NH+](CC)CC ZINC001155174970 1380419783 /nfs/dbraw/zinc/41/97/83/1380419783.db2.gz NRXZYPDFGAPWNX-UYAOXDASSA-N 2 1 347.547 3.442 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001155180709 1380420278 /nfs/dbraw/zinc/42/02/78/1380420278.db2.gz MPGSROAGKPVCCM-QJPGBWLHSA-N 2 1 325.541 3.290 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCC(C)C)[NH+](CC)CC ZINC001155180563 1380420301 /nfs/dbraw/zinc/42/03/01/1380420301.db2.gz FNQPGOVRTUAJEG-QZTJIDSGSA-N 2 1 327.557 3.370 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155225897 1380426402 /nfs/dbraw/zinc/42/64/02/1380426402.db2.gz BWDPMKTYXROSBJ-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155225897 1380426403 /nfs/dbraw/zinc/42/64/03/1380426403.db2.gz BWDPMKTYXROSBJ-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155225897 1380426404 /nfs/dbraw/zinc/42/64/04/1380426404.db2.gz BWDPMKTYXROSBJ-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244739 1380428737 /nfs/dbraw/zinc/42/87/37/1380428737.db2.gz ZWCLADFGDPHJJN-AEFFLSMTSA-N 2 1 348.535 3.161 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244739 1380428739 /nfs/dbraw/zinc/42/87/39/1380428739.db2.gz ZWCLADFGDPHJJN-AEFFLSMTSA-N 2 1 348.535 3.161 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC(C)(C)CC1)[NH+](C)C ZINC001155289681 1380433984 /nfs/dbraw/zinc/43/39/84/1380433984.db2.gz VCJHYPPBEPRJIR-AEFFLSMTSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)n1ccc2c1nc[nH+]c2NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001155458782 1380456162 /nfs/dbraw/zinc/45/61/62/1380456162.db2.gz LKSAJQQJMJNYSB-HNNXBMFYSA-N 2 1 338.459 3.035 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)nc1 ZINC001155588132 1380470875 /nfs/dbraw/zinc/47/08/75/1380470875.db2.gz QENODHMITWVGOH-BVBHFADKSA-N 2 1 328.504 3.429 20 0 EGADMP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156194582 1380540002 /nfs/dbraw/zinc/54/00/02/1380540002.db2.gz UFNQWHBFSYIOSM-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CC1CCC2(CC2)CC1 ZINC001156194582 1380540004 /nfs/dbraw/zinc/54/00/04/1380540004.db2.gz UFNQWHBFSYIOSM-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC2(CC2)CC1 ZINC001156194582 1380540005 /nfs/dbraw/zinc/54/00/05/1380540005.db2.gz UFNQWHBFSYIOSM-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP Cn1ccc2c1nc[nH+]c2N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001156314292 1380556862 /nfs/dbraw/zinc/55/68/62/1380556862.db2.gz FGBPHOJXIDZMFH-BHIYHBOVSA-N 2 1 347.466 3.291 20 0 EGADMP Cn1ccc2c1nc[nH+]c2N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001156314292 1380556864 /nfs/dbraw/zinc/55/68/64/1380556864.db2.gz FGBPHOJXIDZMFH-BHIYHBOVSA-N 2 1 347.466 3.291 20 0 EGADMP CC[N@@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475785 1380580938 /nfs/dbraw/zinc/58/09/38/1380580938.db2.gz UIGWSKOKJKAAOG-ZWKOTPCHSA-N 2 1 327.557 3.227 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-n2ccc3cc(C[NH3+])cnc32)nc1 ZINC001156609049 1380599679 /nfs/dbraw/zinc/59/96/79/1380599679.db2.gz LULPSJSZJLTDNS-GOSISDBHSA-N 2 1 335.455 3.426 20 0 EGADMP CC[N@@H+](Cc1ccccc1C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109764 1380778736 /nfs/dbraw/zinc/77/87/36/1380778736.db2.gz VGPXEGJXQAYUCD-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](Cc1ccccc1C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001157109764 1380778743 /nfs/dbraw/zinc/77/87/43/1380778743.db2.gz VGPXEGJXQAYUCD-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](Cc1ccccc1C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001157109764 1380778747 /nfs/dbraw/zinc/77/87/47/1380778747.db2.gz VGPXEGJXQAYUCD-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1)c1ccccc1 ZINC001157804208 1381038061 /nfs/dbraw/zinc/03/80/61/1381038061.db2.gz OQWNKUXUGBZDAJ-NEWSRXKRSA-N 2 1 331.504 3.045 20 0 EGADMP CCCc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001157886498 1381060470 /nfs/dbraw/zinc/06/04/70/1381060470.db2.gz IFMJJZOIQPGVER-FQEVSTJZSA-N 2 1 345.531 3.108 20 0 EGADMP O=C(NCCC[NH2+]CC1=CCCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158099759 1381127756 /nfs/dbraw/zinc/12/77/56/1381127756.db2.gz SFHWRMKUAHSNPO-LJQANCHMSA-N 2 1 347.547 3.237 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH2+]CC1CC2(CCC2)C1 ZINC001158354297 1381214218 /nfs/dbraw/zinc/21/42/18/1381214218.db2.gz HBTNYBHYFHUFLF-MRXNPFEDSA-N 2 1 346.519 3.073 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001158356986 1381215834 /nfs/dbraw/zinc/21/58/34/1381215834.db2.gz YLQXUYJTCUGRJA-INIZCTEOSA-N 2 1 336.524 3.319 20 0 EGADMP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001158450190 1381249434 /nfs/dbraw/zinc/24/94/34/1381249434.db2.gz NUMSSQDQDMIQTR-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001158473397 1381256965 /nfs/dbraw/zinc/25/69/65/1381256965.db2.gz LAEDRWNOBSLTOU-PKOBYXMFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001158473397 1381256968 /nfs/dbraw/zinc/25/69/68/1381256968.db2.gz LAEDRWNOBSLTOU-PKOBYXMFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001158473397 1381256974 /nfs/dbraw/zinc/25/69/74/1381256974.db2.gz LAEDRWNOBSLTOU-PKOBYXMFSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CCCC1 ZINC001158616328 1381322294 /nfs/dbraw/zinc/32/22/94/1381322294.db2.gz NPNRRTHYLYZOGP-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001158645931 1381336121 /nfs/dbraw/zinc/33/61/21/1381336121.db2.gz DPKMZMGVEPMUQV-RRFGBZISSA-N 2 1 349.563 3.388 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001158724114 1381368711 /nfs/dbraw/zinc/36/87/11/1381368711.db2.gz ZMPAPVWPGXICNM-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158865433 1381440410 /nfs/dbraw/zinc/44/04/10/1381440410.db2.gz ADGJHXNLQLTLAI-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001158865433 1381440418 /nfs/dbraw/zinc/44/04/18/1381440418.db2.gz ADGJHXNLQLTLAI-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001158865433 1381440432 /nfs/dbraw/zinc/44/04/32/1381440432.db2.gz ADGJHXNLQLTLAI-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](CCC1CCCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158866133 1381441707 /nfs/dbraw/zinc/44/17/07/1381441707.db2.gz LBPBNQXUUJVAPF-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001158866133 1381441711 /nfs/dbraw/zinc/44/17/11/1381441711.db2.gz LBPBNQXUUJVAPF-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001158866133 1381441714 /nfs/dbraw/zinc/44/17/14/1381441714.db2.gz LBPBNQXUUJVAPF-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ccc2c(C)cc(NC[C@H]3O[C@@H](C(C)C)O[C@@H]3C[NH3+])[nH+]c2c1C ZINC001159243982 1381742303 /nfs/dbraw/zinc/74/23/03/1381742303.db2.gz XKPOVCLHDHLULX-HLIPFELVSA-N 2 1 343.471 3.297 20 0 EGADMP c1ccc2c(Nc3cccnc3OCC3CC[NH2+]CC3)cc[nH+]c2c1 ZINC001159290822 1381754651 /nfs/dbraw/zinc/75/46/51/1381754651.db2.gz YPSMBLMGJMXOHP-UHFFFAOYSA-N 2 1 334.423 3.174 20 0 EGADMP CCCc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2CCC)cc1 ZINC001159335209 1381768294 /nfs/dbraw/zinc/76/82/94/1381768294.db2.gz VJKJRWUAJHHRSG-FQEVSTJZSA-N 2 1 345.531 3.109 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(Nc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001159509442 1381812771 /nfs/dbraw/zinc/81/27/71/1381812771.db2.gz FYGMPMMAOQLYGG-UHFFFAOYSA-N 2 1 333.439 3.334 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(Nc2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC001159509380 1381813275 /nfs/dbraw/zinc/81/32/75/1381813275.db2.gz CEZQXSLVMHOLRQ-UHFFFAOYSA-N 2 1 347.466 3.330 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001159907811 1381934684 /nfs/dbraw/zinc/93/46/84/1381934684.db2.gz DCOHSEYQDJDJSP-IBGZPJMESA-N 2 1 337.552 3.316 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C)c1ccc(F)cc1 ZINC001160273205 1382058091 /nfs/dbraw/zinc/05/80/91/1382058091.db2.gz JJUXPDPLLLJJKU-RTBURBONSA-N 2 1 349.494 3.247 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360287 1382082281 /nfs/dbraw/zinc/08/22/81/1382082281.db2.gz NIXCEOFNIHYWLL-LJQANCHMSA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160360287 1382082286 /nfs/dbraw/zinc/08/22/86/1382082286.db2.gz NIXCEOFNIHYWLL-LJQANCHMSA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160360287 1382082291 /nfs/dbraw/zinc/08/22/91/1382082291.db2.gz NIXCEOFNIHYWLL-LJQANCHMSA-N 2 1 335.536 3.188 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001160473189 1382117093 /nfs/dbraw/zinc/11/70/93/1382117093.db2.gz HFVDVDSBSIHJRH-OLHLWXQYSA-N 2 1 335.536 3.211 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160519285 1382130677 /nfs/dbraw/zinc/13/06/77/1382130677.db2.gz YVRBIDQTKFUAFV-HJWRWDBZSA-N 2 1 335.536 3.211 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001160519285 1382130680 /nfs/dbraw/zinc/13/06/80/1382130680.db2.gz YVRBIDQTKFUAFV-HJWRWDBZSA-N 2 1 335.536 3.211 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001160519285 1382130683 /nfs/dbraw/zinc/13/06/83/1382130683.db2.gz YVRBIDQTKFUAFV-HJWRWDBZSA-N 2 1 335.536 3.211 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567804 1382144808 /nfs/dbraw/zinc/14/48/08/1382144808.db2.gz LKLQXCRAOHKBNY-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160567804 1382144809 /nfs/dbraw/zinc/14/48/09/1382144809.db2.gz LKLQXCRAOHKBNY-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160567804 1382144811 /nfs/dbraw/zinc/14/48/11/1382144811.db2.gz LKLQXCRAOHKBNY-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160568445 1382145757 /nfs/dbraw/zinc/14/57/57/1382145757.db2.gz VDFWUHWGYVSEBX-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160568445 1382145761 /nfs/dbraw/zinc/14/57/61/1382145761.db2.gz VDFWUHWGYVSEBX-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160568445 1382145763 /nfs/dbraw/zinc/14/57/63/1382145763.db2.gz VDFWUHWGYVSEBX-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001160618000 1382154159 /nfs/dbraw/zinc/15/41/59/1382154159.db2.gz YJFSNMJRLIOCIA-INIZCTEOSA-N 2 1 340.471 3.132 20 0 EGADMP C[C@@H](C[NH3+])CN(Cc1ccccc1)c1nc(N2CCCCC2)cc[nH+]1 ZINC001160665067 1382164992 /nfs/dbraw/zinc/16/49/92/1382164992.db2.gz HRXHWNCWAVZAMW-KRWDZBQOSA-N 2 1 339.487 3.068 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCC1=CC[N@H+](C[C@@H](C)CC(C)C)CC1 ZINC001160676608 1382168207 /nfs/dbraw/zinc/16/82/07/1382168207.db2.gz AQEOXGIQNSWMHZ-KRWDZBQOSA-N 2 1 346.519 3.012 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCC1=CC[N@@H+](C[C@@H](C)CC(C)C)CC1 ZINC001160676608 1382168209 /nfs/dbraw/zinc/16/82/09/1382168209.db2.gz AQEOXGIQNSWMHZ-KRWDZBQOSA-N 2 1 346.519 3.012 20 0 EGADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001292810757 1382215616 /nfs/dbraw/zinc/21/56/16/1382215616.db2.gz SSLTZYHEVZJKIW-GOSISDBHSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001292810757 1382215622 /nfs/dbraw/zinc/21/56/22/1382215622.db2.gz SSLTZYHEVZJKIW-GOSISDBHSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001292810757 1382215627 /nfs/dbraw/zinc/21/56/27/1382215627.db2.gz SSLTZYHEVZJKIW-GOSISDBHSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161007876 1382269704 /nfs/dbraw/zinc/26/97/04/1382269704.db2.gz FQKBRMRENYMEGT-HKUYNNGSSA-N 2 1 335.536 3.045 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001161007876 1382269707 /nfs/dbraw/zinc/26/97/07/1382269707.db2.gz FQKBRMRENYMEGT-HKUYNNGSSA-N 2 1 335.536 3.045 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001161007876 1382269714 /nfs/dbraw/zinc/26/97/14/1382269714.db2.gz FQKBRMRENYMEGT-HKUYNNGSSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161029040 1382276516 /nfs/dbraw/zinc/27/65/16/1382276516.db2.gz KPYMAYLXXAPOHR-GOSISDBHSA-N 2 1 349.563 3.149 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161089318 1382293981 /nfs/dbraw/zinc/29/39/81/1382293981.db2.gz JYOAZSWJVPFTDA-GOSISDBHSA-N 2 1 343.515 3.146 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161106936 1382298723 /nfs/dbraw/zinc/29/87/23/1382298723.db2.gz RAMDBOXEUFTJCM-HXUWFJFHSA-N 2 1 343.515 3.228 20 0 EGADMP C[NH+](C)Cc1ccnc(N[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)c1 ZINC001161180168 1382328919 /nfs/dbraw/zinc/32/89/19/1382328919.db2.gz FAXDLUMQFCIMIH-SFHVURJKSA-N 2 1 344.890 3.483 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161205692 1382340800 /nfs/dbraw/zinc/34/08/00/1382340800.db2.gz FTGAYEHDMWBLGQ-CWHLKURSSA-N 2 1 347.547 3.069 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001161205692 1382340804 /nfs/dbraw/zinc/34/08/04/1382340804.db2.gz FTGAYEHDMWBLGQ-CWHLKURSSA-N 2 1 347.547 3.069 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001161205692 1382340806 /nfs/dbraw/zinc/34/08/06/1382340806.db2.gz FTGAYEHDMWBLGQ-CWHLKURSSA-N 2 1 347.547 3.069 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC2=CC[NH+](CCC3CCCC3)CC2)C1 ZINC001161212839 1382343858 /nfs/dbraw/zinc/34/38/58/1382343858.db2.gz BOXDCLDRULDSGT-GOSISDBHSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NCCC2=CC[N@H+](CCC3CCCC3)CC2)C1 ZINC001161212839 1382343863 /nfs/dbraw/zinc/34/38/63/1382343863.db2.gz BOXDCLDRULDSGT-GOSISDBHSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NCCC2=CC[N@@H+](CCC3CCCC3)CC2)C1 ZINC001161212839 1382343866 /nfs/dbraw/zinc/34/38/66/1382343866.db2.gz BOXDCLDRULDSGT-GOSISDBHSA-N 2 1 347.547 3.047 20 0 EGADMP CC[C@H](C(=O)NCCC1=CC[N@@H+](CC=C(C)C)CC1)[NH+](CC)CC ZINC001161214102 1382344932 /nfs/dbraw/zinc/34/49/32/1382344932.db2.gz TXABIDPOVVOPAN-LJQANCHMSA-N 2 1 335.536 3.211 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCCC2=CC[NH+](CCCC3CCC3)CC2)C1 ZINC001161220096 1382346933 /nfs/dbraw/zinc/34/69/33/1382346933.db2.gz TZLHJYMCHROLRL-SFHVURJKSA-N 2 1 347.547 3.047 20 0 EGADMP CC[C@@H](C(=O)NCCC1=CC[N@@H+](CC2CCCCC2)CC1)[NH+](C)C ZINC001161240540 1382351840 /nfs/dbraw/zinc/35/18/40/1382351840.db2.gz WLWXLKWODCWCCE-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@H](C)c1ccccc1Cl ZINC001161245708 1382353700 /nfs/dbraw/zinc/35/37/00/1382353700.db2.gz QDHMCLKNIQZCOM-CQSZACIVSA-N 2 1 339.911 3.227 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001161250969 1382354006 /nfs/dbraw/zinc/35/40/06/1382354006.db2.gz FZKGTIZIKKQGRP-UHFFFAOYSA-N 2 1 347.547 3.310 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC001161284883 1382361190 /nfs/dbraw/zinc/36/11/90/1382361190.db2.gz QNRZAXISSPKIKW-GOSISDBHSA-N 2 1 347.503 3.138 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCCC2=CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001161704506 1382485240 /nfs/dbraw/zinc/48/52/40/1382485240.db2.gz BKOFUSFVPKEFTN-LJQANCHMSA-N 2 1 349.563 3.293 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NCCC2=CC[N@H+](CCCC(C)(C)C)CC2)C1 ZINC001161704506 1382485244 /nfs/dbraw/zinc/48/52/44/1382485244.db2.gz BKOFUSFVPKEFTN-LJQANCHMSA-N 2 1 349.563 3.293 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NCCC2=CC[N@@H+](CCCC(C)(C)C)CC2)C1 ZINC001161704506 1382485245 /nfs/dbraw/zinc/48/52/45/1382485245.db2.gz BKOFUSFVPKEFTN-LJQANCHMSA-N 2 1 349.563 3.293 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCCC2=CC[NH+](CC3CCCCC3)CC2)C1 ZINC001161705891 1382485998 /nfs/dbraw/zinc/48/59/98/1382485998.db2.gz ZESCMIHFYMGIRI-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NCCC2=CC[N@H+](CC3CCCCC3)CC2)C1 ZINC001161705891 1382486002 /nfs/dbraw/zinc/48/60/02/1382486002.db2.gz ZESCMIHFYMGIRI-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NCCC2=CC[N@@H+](CC3CCCCC3)CC2)C1 ZINC001161705891 1382486006 /nfs/dbraw/zinc/48/60/06/1382486006.db2.gz ZESCMIHFYMGIRI-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NC[C@H]1CCCC[C@H]1C ZINC001162524709 1382781108 /nfs/dbraw/zinc/78/11/08/1382781108.db2.gz OLEAWKOWCUPKTF-RHSMWYFYSA-N 2 1 331.508 3.198 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)Cn1c[nH+]cc1C)c1ccc(Cl)cc1 ZINC001162611945 1382808202 /nfs/dbraw/zinc/80/82/02/1382808202.db2.gz WCPHJNMDHNIODB-QGZVFWFLSA-N 2 1 348.878 3.092 20 0 EGADMP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccc2c(C)cc[nH+]c2c1 ZINC001162732873 1382851374 /nfs/dbraw/zinc/85/13/74/1382851374.db2.gz HVAAHDAOXXNIQP-GOSISDBHSA-N 2 1 329.444 3.086 20 0 EGADMP CCCC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@@H+](C)CCC ZINC001162987118 1382938530 /nfs/dbraw/zinc/93/85/30/1382938530.db2.gz KTDFBONWIJHTAD-UHFFFAOYSA-N 2 1 347.547 3.179 20 0 EGADMP Cc1cc([NH+]2CCCCC2)ccc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163178073 1382984635 /nfs/dbraw/zinc/98/46/35/1382984635.db2.gz SAIIHEMZCOYBPC-YVWKXTFCSA-N 2 1 329.488 3.022 20 0 EGADMP C[N@@H+](CCC(=O)NCCC[NH2+]CC1=CCCCC1)C1CCCCC1 ZINC001163275211 1383010517 /nfs/dbraw/zinc/01/05/17/1383010517.db2.gz UHOUVTMBUGWOAA-UHFFFAOYSA-N 2 1 335.536 3.237 20 0 EGADMP COCC[N@@H+](C)[C@@H](CNc1cc(N)cc[nH+]1)c1ccc(Cl)cc1 ZINC001163385401 1383038180 /nfs/dbraw/zinc/03/81/80/1383038180.db2.gz LWZWQAZCBBZEEF-INIZCTEOSA-N 2 1 334.851 3.049 20 0 EGADMP CN(CCC[NH+](C)C)c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001163595283 1383085617 /nfs/dbraw/zinc/08/56/17/1383085617.db2.gz DNXDHJHMTDIQQS-UHFFFAOYSA-N 2 1 338.499 3.028 20 0 EGADMP CC(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001328736275 1388833957 /nfs/dbraw/zinc/83/39/57/1388833957.db2.gz ILJQUUKRUVJWRN-INIZCTEOSA-N 2 1 337.533 3.002 20 0 EGADMP FC(F)(F)[C@H](Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1)c1cccnc1 ZINC001164183355 1383164088 /nfs/dbraw/zinc/16/40/88/1383164088.db2.gz HEHZVPLTZAESSL-MRXNPFEDSA-N 2 1 347.344 3.132 20 0 EGADMP Cc1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)ccc1C(F)(F)F ZINC001164210182 1383166352 /nfs/dbraw/zinc/16/63/52/1383166352.db2.gz AQIWOAZFKMFDOG-UHFFFAOYSA-N 2 1 329.410 3.452 20 0 EGADMP CSc1ccc(F)c(C)c1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164215545 1383167108 /nfs/dbraw/zinc/16/71/08/1383167108.db2.gz GJAQTCIQPDLZBX-UHFFFAOYSA-N 2 1 325.497 3.294 20 0 EGADMP C[C@]1(C[NH3+])CCCN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC1 ZINC001164246974 1383171019 /nfs/dbraw/zinc/17/10/19/1383171019.db2.gz FJILFTWPOVZQTG-SFHVURJKSA-N 2 1 336.911 3.286 20 0 EGADMP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@H]([NH3+])C2)nc1 ZINC001164326355 1383177783 /nfs/dbraw/zinc/17/77/83/1383177783.db2.gz DGLUKBMNPBJONS-HZPDHXFCSA-N 2 1 338.446 3.191 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@H]([NH3+])C2)nc1 ZINC001164326355 1383177784 /nfs/dbraw/zinc/17/77/84/1383177784.db2.gz DGLUKBMNPBJONS-HZPDHXFCSA-N 2 1 338.446 3.191 20 0 EGADMP c1[nH+]c2cc(NC[C@@H]3CCCCO3)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001165229952 1383254154 /nfs/dbraw/zinc/25/41/54/1383254154.db2.gz PRSXLGYZHLXGDS-SJORKVTESA-N 2 1 328.460 3.332 20 0 EGADMP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001165331713 1383274735 /nfs/dbraw/zinc/27/47/35/1383274735.db2.gz ARYCDVDCVJQDPR-OVKVCFKUSA-N 2 1 349.563 3.483 20 0 EGADMP Nc1cc[nH+]c2cc(NCc3ccc(C[NH+]4CCOCC4)cc3)ccc12 ZINC001165398484 1383286131 /nfs/dbraw/zinc/28/61/31/1383286131.db2.gz OBENDFNPHLFJBE-UHFFFAOYSA-N 2 1 348.450 3.261 20 0 EGADMP CC(C)=CC[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165472748 1383300511 /nfs/dbraw/zinc/30/05/11/1383300511.db2.gz RQLDHTPYWAETEO-SFHVURJKSA-N 2 1 335.536 3.092 20 0 EGADMP CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165926850 1383365803 /nfs/dbraw/zinc/36/58/03/1383365803.db2.gz GUALLDPZSYOTMF-ZWKOTPCHSA-N 2 1 337.552 3.029 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001166202015 1383401040 /nfs/dbraw/zinc/40/10/40/1383401040.db2.gz DBLOAZJQADQNMU-UHFFFAOYSA-N 2 1 346.519 3.038 20 0 EGADMP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001166843067 1383486394 /nfs/dbraw/zinc/48/63/94/1383486394.db2.gz PCAVSRWOBGUVDX-FNYRVFDFSA-N 2 1 349.563 3.339 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001167225760 1383571339 /nfs/dbraw/zinc/57/13/39/1383571339.db2.gz ZVRTYYFCSMSMRJ-GOSISDBHSA-N 2 1 349.563 3.317 20 0 EGADMP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167425758 1383629806 /nfs/dbraw/zinc/62/98/06/1383629806.db2.gz JODDEGIBZNWVFC-QZTJIDSGSA-N 2 1 349.563 3.316 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001167636328 1383694792 /nfs/dbraw/zinc/69/47/92/1383694792.db2.gz SKIYWOGYDSIULN-ICSRJNTNSA-N 2 1 345.531 3.415 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(C)C)CC1 ZINC001167694587 1383713622 /nfs/dbraw/zinc/71/36/22/1383713622.db2.gz NMKGCZPGSARRFL-GOSISDBHSA-N 2 1 337.552 3.173 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCCC2(C[NH2+]CCC3=CCCCC3)CC2)C1 ZINC001167737677 1383726088 /nfs/dbraw/zinc/72/60/88/1383726088.db2.gz YJTFSQVUTQPROR-LJQANCHMSA-N 2 1 347.547 3.095 20 0 EGADMP CSc1nc(NCCC[N@@H+]2CCCC[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC001167751460 1383729676 /nfs/dbraw/zinc/72/96/76/1383729676.db2.gz KVHICHXKWIAKLB-HNNXBMFYSA-N 2 1 349.548 3.475 20 0 EGADMP CSc1nc(NCCC[N@H+]2CCCC[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC001167751460 1383729679 /nfs/dbraw/zinc/72/96/79/1383729679.db2.gz KVHICHXKWIAKLB-HNNXBMFYSA-N 2 1 349.548 3.475 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167824310 1383749488 /nfs/dbraw/zinc/74/94/88/1383749488.db2.gz DJNSATXRKYMDTL-DLBZAZTESA-N 2 1 341.540 3.438 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)N1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001167826236 1383750276 /nfs/dbraw/zinc/75/02/76/1383750276.db2.gz NASIBMSZHRYPOM-SFHVURJKSA-N 3 1 349.567 3.049 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@]2(C1)c1ccccc1N(C)C2=O ZINC001167828098 1383751186 /nfs/dbraw/zinc/75/11/86/1383751186.db2.gz WIOYYTDYOGBTAN-UTKZUKDTSA-N 2 1 343.515 3.117 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)N(c1[nH+]cccc1C)C1CC[NH2+]CC1 ZINC001167836385 1383755198 /nfs/dbraw/zinc/75/51/98/1383755198.db2.gz ZDHPTULVWHTSFW-GOSISDBHSA-N 3 1 332.536 3.459 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001167842807 1383757586 /nfs/dbraw/zinc/75/75/86/1383757586.db2.gz YYOAMXMNOAELJX-HZPDHXFCSA-N 2 1 327.513 3.396 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001167842807 1383757591 /nfs/dbraw/zinc/75/75/91/1383757591.db2.gz YYOAMXMNOAELJX-HZPDHXFCSA-N 2 1 327.513 3.396 20 0 EGADMP [NH2+]=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)SCC[NH3+] ZINC001167911642 1383768711 /nfs/dbraw/zinc/76/87/11/1383768711.db2.gz BXWUSRVLGNNJIH-UHFFFAOYSA-N 2 1 339.424 3.442 20 0 EGADMP COC(=O)c1cccc(C[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001167919294 1383770017 /nfs/dbraw/zinc/77/00/17/1383770017.db2.gz XPOZYNJPGPDAJG-JSYLVRCQSA-N 2 1 342.483 3.344 20 0 EGADMP OC12C[C@@H]3C[C@H](C1)CC([NH2+]C1C[C@H]4CC[C@@H](C1)[N@@H+]4CC1CC1)(C3)C2 ZINC001167964513 1383780925 /nfs/dbraw/zinc/78/09/25/1383780925.db2.gz RNDQJTXCWHCBJV-UJUABLLUSA-N 2 1 330.516 3.065 20 0 EGADMP CC(C)(C)OC(=O)NC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167966580 1383781824 /nfs/dbraw/zinc/78/18/24/1383781824.db2.gz WQLDRYFGKZQVEO-ALOPSCKCSA-N 2 1 349.519 3.039 20 0 EGADMP COC(=O)CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCCC1 ZINC001167971244 1383782574 /nfs/dbraw/zinc/78/25/74/1383782574.db2.gz UUVMTDMUDJJMLF-YQQQUEKLSA-N 2 1 348.531 3.495 20 0 EGADMP COc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(F)c1 ZINC001167973095 1383782653 /nfs/dbraw/zinc/78/26/53/1383782653.db2.gz GLTUFOQHTPWOJS-AYHJJNSGSA-N 2 1 332.463 3.372 20 0 EGADMP CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168007787 1383795158 /nfs/dbraw/zinc/79/51/58/1383795158.db2.gz BHJDIIINJWJARV-AJYBTWMASA-N 2 1 345.531 3.275 20 0 EGADMP CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168007787 1383795160 /nfs/dbraw/zinc/79/51/60/1383795160.db2.gz BHJDIIINJWJARV-AJYBTWMASA-N 2 1 345.531 3.275 20 0 EGADMP CC[N@H+]1CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C[C@H]1C ZINC001168066275 1383809045 /nfs/dbraw/zinc/80/90/45/1383809045.db2.gz MOANYJOKLRZWTF-GUDVDZBRSA-N 2 1 329.532 3.454 20 0 EGADMP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+]([C@@H]1CCO[C@H](C)C1)CC2 ZINC001168113759 1383820116 /nfs/dbraw/zinc/82/01/16/1383820116.db2.gz HUJQZVXIIRFUSZ-CRAIPNDOSA-N 2 1 347.503 3.289 20 0 EGADMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+]([C@@H]1CCO[C@H](C)C1)CC2 ZINC001168113759 1383820119 /nfs/dbraw/zinc/82/01/19/1383820119.db2.gz HUJQZVXIIRFUSZ-CRAIPNDOSA-N 2 1 347.503 3.289 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001168297803 1383866368 /nfs/dbraw/zinc/86/63/68/1383866368.db2.gz XMSOCMBAZRNQKS-HDICACEKSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168314120 1383870983 /nfs/dbraw/zinc/87/09/83/1383870983.db2.gz KBCOSIZJJYHGMH-KLAILNCOSA-N 2 1 339.524 3.191 20 0 EGADMP Cc1cc(C)cc(C[NH2+]CC2(CCNC(=O)C[N@H+](C)C(C)C)CC2)c1 ZINC001168320780 1383872638 /nfs/dbraw/zinc/87/26/38/1383872638.db2.gz ORBIEINHKTXCKP-UHFFFAOYSA-N 2 1 345.531 3.020 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CC2(CCNC(=O)C[N@H+](C)C(C)C)CC2)c1 ZINC001168344371 1383879181 /nfs/dbraw/zinc/87/91/81/1383879181.db2.gz AKEAXMYZMLXPHS-SFHVURJKSA-N 2 1 345.531 3.272 20 0 EGADMP C[C@H]1CN(C2CC[NH+](CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001168389448 1383892737 /nfs/dbraw/zinc/89/27/37/1383892737.db2.gz QPFLTOXCXSYNQE-SFHVURJKSA-N 2 1 327.516 3.067 20 0 EGADMP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC001306884025 1383915078 /nfs/dbraw/zinc/91/50/78/1383915078.db2.gz POKBUUNOUYBLIJ-OALUTQOASA-N 2 1 343.515 3.012 20 0 EGADMP COC(=O)C1(C)CCC([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001168789928 1384004833 /nfs/dbraw/zinc/00/48/33/1384004833.db2.gz ROASGJDXGHGETC-AGYKMIKPSA-N 2 1 336.520 3.447 20 0 EGADMP COC(=O)C1(C)CCC([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001168789928 1384004840 /nfs/dbraw/zinc/00/48/40/1384004840.db2.gz ROASGJDXGHGETC-AGYKMIKPSA-N 2 1 336.520 3.447 20 0 EGADMP COC(=O)C1(C)CCC([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001168789928 1384004842 /nfs/dbraw/zinc/00/48/42/1384004842.db2.gz ROASGJDXGHGETC-AGYKMIKPSA-N 2 1 336.520 3.447 20 0 EGADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168806269 1384013699 /nfs/dbraw/zinc/01/36/99/1384013699.db2.gz KTIOMMOYOULHJH-HOTGVXAUSA-N 2 1 327.513 3.096 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)CN1C(=O)OC(C)(C)C ZINC001168812048 1384015345 /nfs/dbraw/zinc/01/53/45/1384015345.db2.gz PHAPXFHUNFCPNB-BRWVUGGUSA-N 2 1 339.524 3.238 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCCC1)C2 ZINC001169109107 1384108337 /nfs/dbraw/zinc/10/83/37/1384108337.db2.gz YKXSIGLNPDXVEW-PHZGNYQRSA-N 2 1 337.508 3.039 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3ccc(F)cc3c3c1C[C@H]([NH3+])CC3)C2 ZINC001169109424 1384108720 /nfs/dbraw/zinc/10/87/20/1384108720.db2.gz IFVQSXZNTFSAGD-WCVJEAGWSA-N 2 1 327.447 3.394 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(Cc3ccccc3)CCOCC1)C2 ZINC001169109526 1384108844 /nfs/dbraw/zinc/10/88/44/1384108844.db2.gz CQCFHGOXVVTHRF-OWZKRDHZSA-N 2 1 328.500 3.241 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C3CCCCC3)CC1)C2 ZINC001169118039 1384109043 /nfs/dbraw/zinc/10/90/43/1384109043.db2.gz CGWPLHBYMDCROZ-CCQCEHTISA-N 2 1 347.547 3.209 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(N3CCCCCC3=O)c1)C2 ZINC001169115330 1384109434 /nfs/dbraw/zinc/10/94/34/1384109434.db2.gz IUNRPAUAGBXXNF-LDLYASANSA-N 2 1 341.499 3.308 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(N3CCCCCC3=O)c1)C2 ZINC001169115330 1384109436 /nfs/dbraw/zinc/10/94/36/1384109436.db2.gz IUNRPAUAGBXXNF-LDLYASANSA-N 2 1 341.499 3.308 20 0 EGADMP COc1cccc(O[C@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001169139309 1384112530 /nfs/dbraw/zinc/11/25/30/1384112530.db2.gz AZYSUIODSJNHIX-XLSPSMHOSA-N 2 1 330.472 3.164 20 0 EGADMP COc1cccc(O[C@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001169139309 1384112532 /nfs/dbraw/zinc/11/25/32/1384112532.db2.gz AZYSUIODSJNHIX-XLSPSMHOSA-N 2 1 330.472 3.164 20 0 EGADMP COc1cccc(O[C@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001169139309 1384112533 /nfs/dbraw/zinc/11/25/33/1384112533.db2.gz AZYSUIODSJNHIX-XLSPSMHOSA-N 2 1 330.472 3.164 20 0 EGADMP CN(C)c1ccccc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001308247683 1384112815 /nfs/dbraw/zinc/11/28/15/1384112815.db2.gz ZTVJQJXRMMFPDQ-HXUWFJFHSA-N 2 1 337.511 3.407 20 0 EGADMP CC1(C)c2c[nH+]c(N[C@@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)cc2NC1=O ZINC001169141453 1384113140 /nfs/dbraw/zinc/11/31/40/1384113140.db2.gz JJAQADSPSWMIEA-CWTRNNRKSA-N 2 1 330.476 3.267 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+]([C@@H]3CCCc4ccccc43)CC1)C2 ZINC001169156426 1384116711 /nfs/dbraw/zinc/11/67/11/1384116711.db2.gz YDQFOQPZHHOARA-XAPVIXHLSA-N 2 1 339.527 3.307 20 0 EGADMP CC[NH+]1CCC([NH2+]C2CCN(Cc3ccc(F)cc3F)CC2)CC1 ZINC001169238868 1384125991 /nfs/dbraw/zinc/12/59/91/1384125991.db2.gz NDMYUWKKZDRZRV-UHFFFAOYSA-N 2 1 337.458 3.003 20 0 EGADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)CC1CC[NH+](CC)CC1 ZINC001308612340 1384136491 /nfs/dbraw/zinc/13/64/91/1384136491.db2.gz YJEFMSLVNKRVCI-UHFFFAOYSA-N 2 1 344.547 3.352 20 0 EGADMP Cc1[nH+]ccn1-c1cncc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)n1 ZINC001169686221 1384173613 /nfs/dbraw/zinc/17/36/13/1384173613.db2.gz WLFXJGHFSDICAO-MRXNPFEDSA-N 2 1 334.427 3.211 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169809580 1384187733 /nfs/dbraw/zinc/18/77/33/1384187733.db2.gz JBFCZBMKQSEXMU-MJGOQNOKSA-N 2 1 337.552 3.316 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)[C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169926352 1384199188 /nfs/dbraw/zinc/19/91/88/1384199188.db2.gz CQIICRYLUVWWFT-GUDVDZBRSA-N 2 1 336.520 3.434 20 0 EGADMP CC1(C)CC([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CC(C)(C)N1O ZINC001169985099 1384211187 /nfs/dbraw/zinc/21/11/87/1384211187.db2.gz ZSRQQSZLZNVUCP-UHFFFAOYSA-N 2 1 349.494 3.486 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001169996094 1384213704 /nfs/dbraw/zinc/21/37/04/1384213704.db2.gz LNZRSLILHICPTQ-UHFFFAOYSA-N 2 1 346.519 3.340 20 0 EGADMP CC(C)CCC[C@@H](C)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001170072909 1384230100 /nfs/dbraw/zinc/23/01/00/1384230100.db2.gz FDUGZHWQYHIIGS-OAGGEKHMSA-N 2 1 327.513 3.128 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1c(C)ccc2ccccc21 ZINC001170211959 1384266213 /nfs/dbraw/zinc/26/62/13/1384266213.db2.gz TZINJARNJSNKAF-UHFFFAOYSA-N 2 1 341.499 3.086 20 0 EGADMP Cc1[nH+]c2ccc(NC[C@H]3O[C@H](C(C)C)O[C@@H]3C[NH3+])cc2n1C(C)C ZINC001170280992 1384281416 /nfs/dbraw/zinc/28/14/16/1384281416.db2.gz AWKAMXNMOHHBQC-GUDVDZBRSA-N 2 1 346.475 3.062 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H](CC)Cc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC001170456045 1384324203 /nfs/dbraw/zinc/32/42/03/1384324203.db2.gz NHICOGJUWCYFFN-FGTMMUONSA-N 2 1 330.472 3.010 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H](CC)Cc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC001170456045 1384324207 /nfs/dbraw/zinc/32/42/07/1384324207.db2.gz NHICOGJUWCYFFN-FGTMMUONSA-N 2 1 330.472 3.010 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H](CC)Cc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC001170456045 1384324212 /nfs/dbraw/zinc/32/42/12/1384324212.db2.gz NHICOGJUWCYFFN-FGTMMUONSA-N 2 1 330.472 3.010 20 0 EGADMP CCCCCC[C@H](CC)[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001170597707 1384347210 /nfs/dbraw/zinc/34/72/10/1384347210.db2.gz DSAITMITWGVSTO-HSALFYBXSA-N 2 1 340.552 3.405 20 0 EGADMP CCCCCC[C@H](CC)[NH+]1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001170597707 1384347214 /nfs/dbraw/zinc/34/72/14/1384347214.db2.gz DSAITMITWGVSTO-HSALFYBXSA-N 2 1 340.552 3.405 20 0 EGADMP CCCCCC[C@H](CC)[NH+]1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001170597707 1384347218 /nfs/dbraw/zinc/34/72/18/1384347218.db2.gz DSAITMITWGVSTO-HSALFYBXSA-N 2 1 340.552 3.405 20 0 EGADMP CC1(C)[C@@H]2C[C@@H]([NH2+][C@H]3CC[C@H](N4CC[NH+](CC5CC5)CC4)CC3)C[C@@H]21 ZINC001170726368 1384374150 /nfs/dbraw/zinc/37/41/50/1384374150.db2.gz DORJGWNKJXZNCY-RSMWHSHJSA-N 2 1 345.575 3.349 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1=CCCCC1 ZINC001170784904 1384384265 /nfs/dbraw/zinc/38/42/65/1384384265.db2.gz MFDBXRIFBTYXED-LJQANCHMSA-N 2 1 335.536 3.237 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCC1CCCC1 ZINC001170784834 1384384781 /nfs/dbraw/zinc/38/47/81/1384384781.db2.gz LLVJMRCXCDDVBV-LJQANCHMSA-N 2 1 337.552 3.317 20 0 EGADMP C[C@H](CCCC[NH2+]CCCF)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171248059 1384478400 /nfs/dbraw/zinc/47/84/00/1384478400.db2.gz QIOKEDFLSDTTHF-SJLPKXTDSA-N 2 1 341.515 3.018 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171254810 1384479766 /nfs/dbraw/zinc/47/97/66/1384479766.db2.gz UNYGDMKBYMPHPC-IPLHWJFFSA-N 2 1 337.552 3.482 20 0 EGADMP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171537537 1384555793 /nfs/dbraw/zinc/55/57/93/1384555793.db2.gz DSKVHJFYMFSIJH-QUCCMNQESA-N 2 1 345.531 3.244 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171545692 1384558628 /nfs/dbraw/zinc/55/86/28/1384558628.db2.gz FWCPBUKWPIVKDT-MJGOQNOKSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171547167 1384559007 /nfs/dbraw/zinc/55/90/07/1384559007.db2.gz RWJNHWOWVSXQNB-HKUYNNGSSA-N 2 1 337.552 3.316 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2CC[NH+]2CCC(C)CC2)C1 ZINC001171616835 1384581179 /nfs/dbraw/zinc/58/11/79/1384581179.db2.gz XKDFYBJGWHKLSZ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C(=O)N1CC[C@@H]2C[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC[C@@H]21 ZINC001171637252 1384587709 /nfs/dbraw/zinc/58/77/09/1384587709.db2.gz LLJFBSZCSKPTCI-AEFFLSMTSA-N 2 1 349.563 3.217 20 0 EGADMP COc1cccc(O[C@H]2CC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)n1 ZINC001171640793 1384590193 /nfs/dbraw/zinc/59/01/93/1384590193.db2.gz JICXZRPRADOXPJ-INIZCTEOSA-N 2 1 347.503 3.195 20 0 EGADMP CCc1noc([C@@H]2CCC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)n1 ZINC001171643925 1384590435 /nfs/dbraw/zinc/59/04/35/1384590435.db2.gz XYMQBNFGPPWIOI-CQSZACIVSA-N 2 1 334.508 3.463 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001171726159 1384614759 /nfs/dbraw/zinc/61/47/59/1384614759.db2.gz WZJLEUGEHXMUNG-UHFFFAOYSA-N 2 1 347.547 3.312 20 0 EGADMP Cc1ncn([C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1CSCC[NH3+] ZINC001171728935 1384615464 /nfs/dbraw/zinc/61/54/64/1384615464.db2.gz SFMCMCJARIYNTG-MAUKXSAKSA-N 2 1 344.528 3.219 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001171732093 1384618373 /nfs/dbraw/zinc/61/83/73/1384618373.db2.gz UTMMAKUWQITKCE-QGZVFWFLSA-N 2 1 345.531 3.064 20 0 EGADMP CC(C)N([C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001171766739 1384630523 /nfs/dbraw/zinc/63/05/23/1384630523.db2.gz HCBIOLSCOWQVEH-RXVVDRJESA-N 2 1 329.532 3.454 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171799559 1384642124 /nfs/dbraw/zinc/64/21/24/1384642124.db2.gz MFTOWWRLOXYKMS-INIZCTEOSA-N 2 1 325.431 3.235 20 0 EGADMP Cc1cc(C[NH2+]CCCC[C@@H](C)NC(=O)Cn2c[nH+]cc2C)cs1 ZINC001171822649 1384651234 /nfs/dbraw/zinc/65/12/34/1384651234.db2.gz ZMGFBOKYMZPFPQ-CQSZACIVSA-N 2 1 348.516 3.026 20 0 EGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171872076 1384666467 /nfs/dbraw/zinc/66/64/67/1384666467.db2.gz WAUDXPLUNHEHAC-UFYCRDLUSA-N 2 1 343.515 3.144 20 0 EGADMP CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171966633 1384698706 /nfs/dbraw/zinc/69/87/06/1384698706.db2.gz LVDPZGLCLGVXCA-HKUYNNGSSA-N 2 1 345.531 3.276 20 0 EGADMP CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171966633 1384698708 /nfs/dbraw/zinc/69/87/08/1384698708.db2.gz LVDPZGLCLGVXCA-HKUYNNGSSA-N 2 1 345.531 3.276 20 0 EGADMP CNC(=O)[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)C ZINC001171977270 1384700592 /nfs/dbraw/zinc/70/05/92/1384700592.db2.gz ZWVCMQBFOBTNJQ-QZTJIDSGSA-N 2 1 345.531 3.180 20 0 EGADMP CNC(=O)[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)C ZINC001171977270 1384700600 /nfs/dbraw/zinc/70/06/00/1384700600.db2.gz ZWVCMQBFOBTNJQ-QZTJIDSGSA-N 2 1 345.531 3.180 20 0 EGADMP CCC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977811 1384702027 /nfs/dbraw/zinc/70/20/27/1384702027.db2.gz DKQXNFFUZMBHTL-OALUTQOASA-N 2 1 343.515 3.030 20 0 EGADMP COC(=O)C[C@@H]1CCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988717 1384705496 /nfs/dbraw/zinc/70/54/96/1384705496.db2.gz UDMHDALUAGHSGP-OALUTQOASA-N 2 1 344.499 3.457 20 0 EGADMP COC(=O)C[C@@H]1CCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988717 1384705500 /nfs/dbraw/zinc/70/55/00/1384705500.db2.gz UDMHDALUAGHSGP-OALUTQOASA-N 2 1 344.499 3.457 20 0 EGADMP COC(=O)C[C@@H]1CCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988717 1384705517 /nfs/dbraw/zinc/70/55/17/1384705517.db2.gz UDMHDALUAGHSGP-OALUTQOASA-N 2 1 344.499 3.457 20 0 EGADMP COC(=O)C[C@@H]1CCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988717 1384705533 /nfs/dbraw/zinc/70/55/33/1384705533.db2.gz UDMHDALUAGHSGP-OALUTQOASA-N 2 1 344.499 3.457 20 0 EGADMP Cc1noc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001172062384 1384714669 /nfs/dbraw/zinc/71/46/69/1384714669.db2.gz NHUJHEJFJYTYLP-REPLKXPHSA-N 2 1 340.471 3.096 20 0 EGADMP CC(C)[C@@](C)([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(N)=O ZINC001172066285 1384716609 /nfs/dbraw/zinc/71/66/09/1384716609.db2.gz UUSJJUWYYGJIJG-RCLSDMTESA-N 2 1 343.515 3.062 20 0 EGADMP C[C@@]1(O)CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172074296 1384719498 /nfs/dbraw/zinc/71/94/98/1384719498.db2.gz GYPXHAAHAKZLNS-IVAOSVALSA-N 2 1 328.500 3.419 20 0 EGADMP C[C@@]1(O)CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172074296 1384719503 /nfs/dbraw/zinc/71/95/03/1384719503.db2.gz GYPXHAAHAKZLNS-IVAOSVALSA-N 2 1 328.500 3.419 20 0 EGADMP C[C@@]1(O)CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172074296 1384719508 /nfs/dbraw/zinc/71/95/08/1384719508.db2.gz GYPXHAAHAKZLNS-IVAOSVALSA-N 2 1 328.500 3.419 20 0 EGADMP C[C@@]1(O)CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172074296 1384719510 /nfs/dbraw/zinc/71/95/10/1384719510.db2.gz GYPXHAAHAKZLNS-IVAOSVALSA-N 2 1 328.500 3.419 20 0 EGADMP F[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074537 1384719764 /nfs/dbraw/zinc/71/97/64/1384719764.db2.gz WYSHIRRJCPEGCC-IVDHNXQLSA-N 2 1 332.463 3.289 20 0 EGADMP F[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074537 1384719766 /nfs/dbraw/zinc/71/97/66/1384719766.db2.gz WYSHIRRJCPEGCC-IVDHNXQLSA-N 2 1 332.463 3.289 20 0 EGADMP C[C@@H]1C[C@@H](O)CC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074680 1384720136 /nfs/dbraw/zinc/72/01/36/1384720136.db2.gz KHUMDBSUHYPCCR-TZMRYXNNSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1C[C@@H](O)CC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074680 1384720149 /nfs/dbraw/zinc/72/01/49/1384720149.db2.gz KHUMDBSUHYPCCR-TZMRYXNNSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1C[C@@H](O)CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074680 1384720151 /nfs/dbraw/zinc/72/01/51/1384720151.db2.gz KHUMDBSUHYPCCR-TZMRYXNNSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1C[C@@H](O)CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074680 1384720153 /nfs/dbraw/zinc/72/01/53/1384720153.db2.gz KHUMDBSUHYPCCR-TZMRYXNNSA-N 2 1 328.500 3.417 20 0 EGADMP CC(=O)NCCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172078333 1384721504 /nfs/dbraw/zinc/72/15/04/1384721504.db2.gz YMRMHXKVKYELRY-WKCHPHFGSA-N 2 1 343.515 3.078 20 0 EGADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@@]24CCOC4)C3)cc1 ZINC001172090991 1384725238 /nfs/dbraw/zinc/72/52/38/1384725238.db2.gz ZGQOMFQMFFDJFB-WOZUAGRISA-N 2 1 326.484 3.437 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@@]24CCOC4)C3)cc1 ZINC001172090991 1384725245 /nfs/dbraw/zinc/72/52/45/1384725245.db2.gz ZGQOMFQMFFDJFB-WOZUAGRISA-N 2 1 326.484 3.437 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CC[C@@]24CCOC4)C3)cc1 ZINC001172090991 1384725255 /nfs/dbraw/zinc/72/52/55/1384725255.db2.gz ZGQOMFQMFFDJFB-WOZUAGRISA-N 2 1 326.484 3.437 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CC[C@@]24CCOC4)C3)cc1 ZINC001172090991 1384725257 /nfs/dbraw/zinc/72/52/57/1384725257.db2.gz ZGQOMFQMFFDJFB-WOZUAGRISA-N 2 1 326.484 3.437 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001172099469 1384727377 /nfs/dbraw/zinc/72/73/77/1384727377.db2.gz IEUKALVAAIGJBW-MZADTFQBSA-N 2 1 327.516 3.256 20 0 EGADMP CN(CCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC001172108185 1384728180 /nfs/dbraw/zinc/72/81/80/1384728180.db2.gz RJFWUUBPQXCTMV-BJWYYQGGSA-N 2 1 339.524 3.238 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(Cc3cccnc3)CCOCC1)C2 ZINC001172113477 1384731670 /nfs/dbraw/zinc/73/16/70/1384731670.db2.gz HOAPFVDDVGVNSI-OWZKRDHZSA-N 2 1 343.515 3.026 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3[C@@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172120516 1384732115 /nfs/dbraw/zinc/73/21/15/1384732115.db2.gz LCOIPARFOJGZPS-ICUGJSFKSA-N 2 1 349.519 3.085 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3[C@@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172120516 1384732118 /nfs/dbraw/zinc/73/21/18/1384732118.db2.gz LCOIPARFOJGZPS-ICUGJSFKSA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]3[C@@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172120516 1384732121 /nfs/dbraw/zinc/73/21/21/1384732121.db2.gz LCOIPARFOJGZPS-ICUGJSFKSA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]3[C@@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172120516 1384732123 /nfs/dbraw/zinc/73/21/23/1384732123.db2.gz LCOIPARFOJGZPS-ICUGJSFKSA-N 2 1 349.519 3.085 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC13CN(C(=O)OC(C)(C)C)C3)C2 ZINC001172116663 1384732534 /nfs/dbraw/zinc/73/25/34/1384732534.db2.gz BRBWNAPRQAQEDX-FVQHAEBGSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC13CN(C(=O)OC(C)(C)C)C3)C2 ZINC001172116663 1384732537 /nfs/dbraw/zinc/73/25/37/1384732537.db2.gz BRBWNAPRQAQEDX-FVQHAEBGSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC13CN(C(=O)OC(C)(C)C)C3)C2 ZINC001172116663 1384732542 /nfs/dbraw/zinc/73/25/42/1384732542.db2.gz BRBWNAPRQAQEDX-FVQHAEBGSA-N 2 1 349.519 3.087 20 0 EGADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@@]1(O)C(F)(F)F ZINC001172116192 1384732938 /nfs/dbraw/zinc/73/29/38/1384732938.db2.gz BDDBXBNIOTVMFN-OWYFMNJBSA-N 2 1 334.426 3.027 20 0 EGADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@@]1(O)C(F)(F)F ZINC001172116192 1384732942 /nfs/dbraw/zinc/73/29/42/1384732942.db2.gz BDDBXBNIOTVMFN-OWYFMNJBSA-N 2 1 334.426 3.027 20 0 EGADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC[C@@]1(O)C(F)(F)F ZINC001172116192 1384732944 /nfs/dbraw/zinc/73/29/44/1384732944.db2.gz BDDBXBNIOTVMFN-OWYFMNJBSA-N 2 1 334.426 3.027 20 0 EGADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC[C@@]1(O)C(F)(F)F ZINC001172116192 1384732948 /nfs/dbraw/zinc/73/29/48/1384732948.db2.gz BDDBXBNIOTVMFN-OWYFMNJBSA-N 2 1 334.426 3.027 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C(=O)N3CCCCCC3)CC1)C2 ZINC001172123139 1384733977 /nfs/dbraw/zinc/73/39/77/1384733977.db2.gz YKSRFMUTFUSHHL-PMOLBWCYSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C(=O)N3CCCCCC3)CC1)C2 ZINC001172123139 1384733980 /nfs/dbraw/zinc/73/39/80/1384733980.db2.gz YKSRFMUTFUSHHL-PMOLBWCYSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3CCN(Cc4ccccc4)[C@@H]3C1)C2 ZINC001172123923 1384734419 /nfs/dbraw/zinc/73/44/19/1384734419.db2.gz HQWJDOGIHCNNHL-LXHROKJGSA-N 2 1 339.527 3.208 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@H]3CCN(Cc4ccccc4)[C@@H]3C1)C2 ZINC001172123923 1384734421 /nfs/dbraw/zinc/73/44/21/1384734421.db2.gz HQWJDOGIHCNNHL-LXHROKJGSA-N 2 1 339.527 3.208 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@H]3CCN(Cc4ccccc4)[C@@H]3C1)C2 ZINC001172123923 1384734427 /nfs/dbraw/zinc/73/44/27/1384734427.db2.gz HQWJDOGIHCNNHL-LXHROKJGSA-N 2 1 339.527 3.208 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172121282 1384734868 /nfs/dbraw/zinc/73/48/68/1384734868.db2.gz DGUOBMKSXSMFFM-AYWYSENESA-N 2 1 327.516 3.381 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1ccccc1 ZINC001172132487 1384737366 /nfs/dbraw/zinc/73/73/66/1384737366.db2.gz LQZRXZIKZDEOOA-MDMHHNQBSA-N 2 1 342.483 3.238 20 0 EGADMP COC(=O)[C@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1ccccc1 ZINC001172132487 1384737369 /nfs/dbraw/zinc/73/73/69/1384737369.db2.gz LQZRXZIKZDEOOA-MDMHHNQBSA-N 2 1 342.483 3.238 20 0 EGADMP COC(=O)[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1c1ccccc1 ZINC001172132487 1384737372 /nfs/dbraw/zinc/73/73/72/1384737372.db2.gz LQZRXZIKZDEOOA-MDMHHNQBSA-N 2 1 342.483 3.238 20 0 EGADMP COC(=O)[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccccc1 ZINC001172132487 1384737374 /nfs/dbraw/zinc/73/73/74/1384737374.db2.gz LQZRXZIKZDEOOA-MDMHHNQBSA-N 2 1 342.483 3.238 20 0 EGADMP Cc1ccnc(O[C@@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172132414 1384737462 /nfs/dbraw/zinc/73/74/62/1384737462.db2.gz KTHVPVKMHZIDIJ-YDZRNGNQSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1ccnc(O[C@@H]2CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172132414 1384737465 /nfs/dbraw/zinc/73/74/65/1384737465.db2.gz KTHVPVKMHZIDIJ-YDZRNGNQSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1ccnc(O[C@@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172132414 1384737468 /nfs/dbraw/zinc/73/74/68/1384737468.db2.gz KTHVPVKMHZIDIJ-YDZRNGNQSA-N 2 1 329.488 3.249 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3CN(c4ccccc4)C[C@H]3C1)C2 ZINC001172133252 1384738181 /nfs/dbraw/zinc/73/81/81/1384738181.db2.gz QLJJZUJGSPXOTQ-JNVSZQSJSA-N 2 1 325.500 3.070 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@H]3CN(c4ccccc4)C[C@H]3C1)C2 ZINC001172133252 1384738183 /nfs/dbraw/zinc/73/81/83/1384738183.db2.gz QLJJZUJGSPXOTQ-JNVSZQSJSA-N 2 1 325.500 3.070 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@H]3CN(c4ccccc4)C[C@H]3C1)C2 ZINC001172133252 1384738186 /nfs/dbraw/zinc/73/81/86/1384738186.db2.gz QLJJZUJGSPXOTQ-JNVSZQSJSA-N 2 1 325.500 3.070 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H](Sc3ccncc3)C2)CC1 ZINC001172255957 1384757198 /nfs/dbraw/zinc/75/71/98/1384757198.db2.gz PQRCIPUXWNAVDE-IBGZPJMESA-N 2 1 349.544 3.139 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H](Sc3ccncc3)C2)CC1 ZINC001172255957 1384757200 /nfs/dbraw/zinc/75/72/00/1384757200.db2.gz PQRCIPUXWNAVDE-IBGZPJMESA-N 2 1 349.544 3.139 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001172319173 1384768610 /nfs/dbraw/zinc/76/86/10/1384768610.db2.gz OYPKQFAQELPTHV-MOPGFXCFSA-N 2 1 347.547 3.117 20 0 EGADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001172356728 1384776582 /nfs/dbraw/zinc/77/65/82/1384776582.db2.gz ZWJKFRCORYKGJL-IRXDYDNUSA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001172356728 1384776583 /nfs/dbraw/zinc/77/65/83/1384776583.db2.gz ZWJKFRCORYKGJL-IRXDYDNUSA-N 2 1 326.525 3.155 20 0 EGADMP CC(C)OC(=O)CC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172757173 1384845465 /nfs/dbraw/zinc/84/54/65/1384845465.db2.gz UIIRYVWYNZCVGG-IEBWSBKVSA-N 2 1 332.488 3.218 20 0 EGADMP CC(C)OC(=O)CC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001172761434 1384846390 /nfs/dbraw/zinc/84/63/90/1384846390.db2.gz RLIUEFSZKSJJPP-GOSISDBHSA-N 2 1 346.515 3.403 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001172767534 1384847393 /nfs/dbraw/zinc/84/73/93/1384847393.db2.gz HLQMIVOZXKWTJZ-VAMGGRTRSA-N 2 1 344.499 3.220 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H](N(c2[nH+]cccc2C)C2CC[NH2+]CC2)CC1 ZINC001172802654 1384855538 /nfs/dbraw/zinc/85/55/38/1384855538.db2.gz LAPTUUAPKOEXTA-IAGOWNOFSA-N 2 1 345.487 3.070 20 0 EGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172806101 1384855690 /nfs/dbraw/zinc/85/56/90/1384855690.db2.gz MJFIVFAPZOCOGK-KKGYMGPXSA-N 2 1 349.519 3.155 20 0 EGADMP CC(C)(C)OC(=O)C[NH+]1CCC(n2ccc3c2cccc3C[NH3+])CC1 ZINC001172883321 1384872388 /nfs/dbraw/zinc/87/23/88/1384872388.db2.gz JOKMOCSSGVMHQZ-UHFFFAOYSA-N 2 1 343.471 3.079 20 0 EGADMP CCCC[N@@H+](C)CCC[NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172944697 1384885501 /nfs/dbraw/zinc/88/55/01/1384885501.db2.gz YKGNMPULMQPLSJ-MRXNPFEDSA-N 2 1 329.529 3.344 20 0 EGADMP CCCC[N@H+](CC)CC[NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172944680 1384885718 /nfs/dbraw/zinc/88/57/18/1384885718.db2.gz YFVILNGIULNGDU-INIZCTEOSA-N 2 1 329.529 3.344 20 0 EGADMP CCCC[N@@H+](CC)CC[NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172944680 1384885720 /nfs/dbraw/zinc/88/57/20/1384885720.db2.gz YFVILNGIULNGDU-INIZCTEOSA-N 2 1 329.529 3.344 20 0 EGADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001172953644 1384888832 /nfs/dbraw/zinc/88/88/32/1384888832.db2.gz KLDSZOUZJFCBIS-PMPSAXMXSA-N 2 1 327.513 3.094 20 0 EGADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001172965213 1384891768 /nfs/dbraw/zinc/89/17/68/1384891768.db2.gz YZEYRARLXGMLNV-IRXDYDNUSA-N 2 1 341.540 3.473 20 0 EGADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173043119 1384899364 /nfs/dbraw/zinc/89/93/64/1384899364.db2.gz VIHKJAYHMLKTDK-UHFFFAOYSA-N 3 1 339.568 3.201 20 0 EGADMP CC[NH+](CC)C1CCC([N@@H+](C)CCNC(=O)OC(C)(C)C)CC1 ZINC001173108040 1384916385 /nfs/dbraw/zinc/91/63/85/1384916385.db2.gz CBQDJJKNQPQZEG-UHFFFAOYSA-N 2 1 327.513 3.096 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](Oc3cccc(C)n3)C2)CC1 ZINC001173112569 1384916866 /nfs/dbraw/zinc/91/68/66/1384916866.db2.gz AHYKBILNDOOMQJ-CTWPCTMYSA-N 2 1 331.504 3.496 20 0 EGADMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)[C@H]1CCc2ncsc2C1 ZINC001173135535 1384921673 /nfs/dbraw/zinc/92/16/73/1384921673.db2.gz MWIXRKABZHYQGR-GJZGRUSLSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CCC([NH2+]Cc2ccc(C)cc2)CC1 ZINC001317220971 1385001442 /nfs/dbraw/zinc/00/14/42/1385001442.db2.gz QFKHEZVRURCWIQ-UHFFFAOYSA-N 2 1 345.531 3.244 20 0 EGADMP C[C@@H](CCCC[NH2+]C/C=C\c1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001174705659 1385137437 /nfs/dbraw/zinc/13/74/37/1385137437.db2.gz KWRWYGLNMRWAMZ-RNGOSCCFSA-N 2 1 343.515 3.059 20 0 EGADMP Cc1[nH+]c2c(Nc3ccc(N4CC[NH+](C)CC4)cc3)cccn2c1C ZINC001174814668 1385153723 /nfs/dbraw/zinc/15/37/23/1385153723.db2.gz RLTQRMDQEDRKEW-UHFFFAOYSA-N 2 1 335.455 3.447 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001317469150 1385163397 /nfs/dbraw/zinc/16/33/97/1385163397.db2.gz AUXXUSVZELNFEM-QGZVFWFLSA-N 2 1 349.494 3.201 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC=C(C)C)C1 ZINC001174882819 1385164877 /nfs/dbraw/zinc/16/48/77/1385164877.db2.gz XOPJIEBZRVMDCR-OALUTQOASA-N 2 1 337.552 3.339 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC2CC2)C1 ZINC001174882607 1385165021 /nfs/dbraw/zinc/16/50/21/1385165021.db2.gz UPMGDIQVZVJGRI-PKOBYXMFSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]2CCC[C@H]2C)c1 ZINC001175256920 1385230580 /nfs/dbraw/zinc/23/05/80/1385230580.db2.gz QNMBMCIBEYFFGB-RTBURBONSA-N 2 1 345.531 3.244 20 0 EGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175265513 1385235400 /nfs/dbraw/zinc/23/54/00/1385235400.db2.gz YZHCTVNKPCSCMH-VQIMIIECSA-N 2 1 343.531 3.264 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175274012 1385237766 /nfs/dbraw/zinc/23/77/66/1385237766.db2.gz ZZIXKJPRZSJSDI-KRWDZBQOSA-N 2 1 339.568 3.419 20 0 EGADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001175297299 1385242602 /nfs/dbraw/zinc/24/26/02/1385242602.db2.gz SZIOPBBSZATPNW-LJQANCHMSA-N 2 1 347.547 3.082 20 0 EGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175704008 1385378917 /nfs/dbraw/zinc/37/89/17/1385378917.db2.gz POYAETKBHLNJPB-KRWDZBQOSA-N 2 1 336.524 3.427 20 0 EGADMP C[NH+](C)Cc1cccc(Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001175857210 1385423216 /nfs/dbraw/zinc/42/32/16/1385423216.db2.gz GBYDDPRHXHWKFK-UHFFFAOYSA-N 2 1 325.456 3.324 20 0 EGADMP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001317770042 1385461328 /nfs/dbraw/zinc/46/13/28/1385461328.db2.gz NPLVNELJHSDYNV-UXHICEINSA-N 2 1 345.531 3.148 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C ZINC001176022579 1385463734 /nfs/dbraw/zinc/46/37/34/1385463734.db2.gz BWGUSQHJMSHATJ-GOSISDBHSA-N 2 1 333.520 3.101 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC001176147361 1385495660 /nfs/dbraw/zinc/49/56/60/1385495660.db2.gz LTXOYKYLLPQSSO-KRWDZBQOSA-N 2 1 348.878 3.092 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176164338 1385500080 /nfs/dbraw/zinc/50/00/80/1385500080.db2.gz ARXNNZDLXXGMOO-DLBZAZTESA-N 2 1 337.552 3.029 20 0 EGADMP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176165195 1385500591 /nfs/dbraw/zinc/50/05/91/1385500591.db2.gz JCTUIEDACJPGBW-OXUXSNCKSA-N 2 1 337.552 3.339 20 0 EGADMP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176166145 1385501080 /nfs/dbraw/zinc/50/10/80/1385501080.db2.gz QCDGAJLVEUTYSI-RTBURBONSA-N 2 1 345.531 3.101 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC1CC(F)(F)C1 ZINC001176269458 1385532480 /nfs/dbraw/zinc/53/24/80/1385532480.db2.gz TZDLOFMNLHBUKI-HNNXBMFYSA-N 2 1 347.494 3.028 20 0 EGADMP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001176267851 1385532741 /nfs/dbraw/zinc/53/27/41/1385532741.db2.gz GIQKNJRUJQQHSF-LKGOPFMKSA-N 2 1 325.541 3.339 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001176564859 1385626220 /nfs/dbraw/zinc/62/62/20/1385626220.db2.gz SAGWSCMUKYGUAP-RTBURBONSA-N 2 1 345.531 3.020 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH2+]CC1CCCCCC1 ZINC001176591641 1385634907 /nfs/dbraw/zinc/63/49/07/1385634907.db2.gz NJZKCDGFWPLKPL-QGZVFWFLSA-N 2 1 348.535 3.427 20 0 EGADMP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176753024 1385683357 /nfs/dbraw/zinc/68/33/57/1385683357.db2.gz CFWIJFRKRPNUIW-SFHVURJKSA-N 2 1 333.520 3.100 20 0 EGADMP Cc1cc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C)cs1 ZINC001176753728 1385684243 /nfs/dbraw/zinc/68/42/43/1385684243.db2.gz LSTMHPHURORTGA-HNNXBMFYSA-N 2 1 339.549 3.161 20 0 EGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176760076 1385686844 /nfs/dbraw/zinc/68/68/44/1385686844.db2.gz POCIEZYUZWYIAV-ZWKOTPCHSA-N 2 1 325.541 3.316 20 0 EGADMP C[C@H]([NH2+]CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC001177021407 1385775923 /nfs/dbraw/zinc/77/59/23/1385775923.db2.gz VKCGXINLYJUTKO-PXNSSMCTSA-N 2 1 339.483 3.146 20 0 EGADMP CCCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001177266338 1385889941 /nfs/dbraw/zinc/88/99/41/1385889941.db2.gz DWLZULNUUCRBOT-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001177328245 1385915984 /nfs/dbraw/zinc/91/59/84/1385915984.db2.gz DQIFZBUKZBYNIY-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)Cn1c[nH+]cc1C ZINC001177368425 1385931518 /nfs/dbraw/zinc/93/15/18/1385931518.db2.gz GTNJWZOVDUOJTO-QGZVFWFLSA-N 2 1 348.535 3.236 20 0 EGADMP C[C@H](CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCCCC1 ZINC001177416563 1385949493 /nfs/dbraw/zinc/94/94/93/1385949493.db2.gz SBURKPHMWDGVKO-SFHLNBCPSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C)C[NH+]1CCCCC1 ZINC001177416563 1385949499 /nfs/dbraw/zinc/94/94/99/1385949499.db2.gz SBURKPHMWDGVKO-SFHLNBCPSA-N 2 1 329.532 3.219 20 0 EGADMP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001177440143 1385957590 /nfs/dbraw/zinc/95/75/90/1385957590.db2.gz AFFBSYMLVZIBEC-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@H](F)C[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@@H+](C)CC ZINC001177456347 1385962286 /nfs/dbraw/zinc/96/22/86/1385962286.db2.gz RDKRGPLRGRNWMX-SFHVURJKSA-N 2 1 343.531 3.075 20 0 EGADMP Cc1ccc(C[N@@H+]2CCCN(CC[NH+]3CCC(C)CC3)CC2)cc1 ZINC001319299648 1386049053 /nfs/dbraw/zinc/04/90/53/1386049053.db2.gz FEQNYZUERRTMTF-UHFFFAOYSA-N 2 1 329.532 3.235 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)C1 ZINC001178249946 1386172378 /nfs/dbraw/zinc/17/23/78/1386172378.db2.gz XYIUIJRWLVYKKQ-OAHLLOKOSA-N 2 1 334.895 3.445 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)C1 ZINC001178249946 1386172381 /nfs/dbraw/zinc/17/23/81/1386172381.db2.gz XYIUIJRWLVYKKQ-OAHLLOKOSA-N 2 1 334.895 3.445 20 0 EGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001178468145 1386226551 /nfs/dbraw/zinc/22/65/51/1386226551.db2.gz PJXZKGCHFOOBDC-ZMBJWTFHSA-N 2 1 337.552 3.482 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178484344 1386231885 /nfs/dbraw/zinc/23/18/85/1386231885.db2.gz SVAFCHGNPISVTG-OALUTQOASA-N 2 1 337.552 3.317 20 0 EGADMP CCCC[NH2+]CCCCCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001178693524 1386279491 /nfs/dbraw/zinc/27/94/91/1386279491.db2.gz VGBZSNIZDZXJGH-SFHVURJKSA-N 2 1 325.541 3.316 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCCCCC[NH2+]CC[C@@H](C)F ZINC001178692831 1386279885 /nfs/dbraw/zinc/27/98/85/1386279885.db2.gz CYONLWZNIWXTFS-QZTJIDSGSA-N 2 1 343.531 3.264 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCCCCC[NH2+]CCCCCF ZINC001178729296 1386291479 /nfs/dbraw/zinc/29/14/79/1386291479.db2.gz RTUPKENZSSVYGA-SFHVURJKSA-N 2 1 343.531 3.267 20 0 EGADMP Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001178828283 1386320574 /nfs/dbraw/zinc/32/05/74/1386320574.db2.gz TXSHQFIYABTGPD-FQEVSTJZSA-N 2 1 345.531 3.246 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001178920725 1386349164 /nfs/dbraw/zinc/34/91/64/1386349164.db2.gz HCPFGRNZXQLHRM-LJQANCHMSA-N 2 1 337.552 3.339 20 0 EGADMP CC[C@H](C)C[N@@H+](C)CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001319879561 1386355475 /nfs/dbraw/zinc/35/54/75/1386355475.db2.gz HMAYTEZAFYNVEE-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H]1C ZINC001179534726 1386508955 /nfs/dbraw/zinc/50/89/55/1386508955.db2.gz SRQASSTWNRFZPD-AOIWGVFYSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001179549541 1386511746 /nfs/dbraw/zinc/51/17/46/1386511746.db2.gz DIEMJLGUTPPCCK-IRXDYDNUSA-N 2 1 339.568 3.370 20 0 EGADMP C[NH+](C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCCC(C)(C)C)C2)CCC1 ZINC001320103437 1386515225 /nfs/dbraw/zinc/51/52/25/1386515225.db2.gz KMVURBYXAJEFBR-ROUUACIJSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001179580623 1386521466 /nfs/dbraw/zinc/52/14/66/1386521466.db2.gz KHDJEAWCXSMSMY-SFHVURJKSA-N 2 1 337.552 3.317 20 0 EGADMP Cc1ccc(C[NH2+]CCCCCCNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001179585691 1386524175 /nfs/dbraw/zinc/52/41/75/1386524175.db2.gz JLQYCGAAEULXAL-IBGZPJMESA-N 2 1 345.531 3.103 20 0 EGADMP C[C@@H]([NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC001179585712 1386524208 /nfs/dbraw/zinc/52/42/08/1386524208.db2.gz JRXQJGJUUCVXRN-RTBURBONSA-N 2 1 345.531 3.356 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCCCCC[NH2+]C/C=C/Cl ZINC001179714559 1386562761 /nfs/dbraw/zinc/56/27/61/1386562761.db2.gz ZRIBGGGEVDAUIW-BQYQJAHWSA-N 2 1 340.899 3.025 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001179746012 1386570254 /nfs/dbraw/zinc/57/02/54/1386570254.db2.gz LASMNKVTGCFJER-LJQANCHMSA-N 2 1 337.552 3.316 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]C[C@@H](C)CC)[C@@H]1C ZINC001179748816 1386570807 /nfs/dbraw/zinc/57/08/07/1386570807.db2.gz LJKLCBBWOZEBJU-BZSNNMDCSA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001179746441 1386570851 /nfs/dbraw/zinc/57/08/51/1386570851.db2.gz UKDQKTZQPGCHBL-SFHVURJKSA-N 2 1 325.541 3.172 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001179776852 1386581901 /nfs/dbraw/zinc/58/19/01/1386581901.db2.gz KNHNCIYVANCGSV-MRXNPFEDSA-N 2 1 348.535 3.291 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+][C@H](C)c1ccccc1 ZINC001179988510 1386659807 /nfs/dbraw/zinc/65/98/07/1386659807.db2.gz JIWGHBBWEHCCQP-GOSISDBHSA-N 2 1 333.520 3.356 20 0 EGADMP CCC(CC)C[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001180060552 1386683898 /nfs/dbraw/zinc/68/38/98/1386683898.db2.gz HGEAJGGDXKCCQU-GOSISDBHSA-N 2 1 325.541 3.031 20 0 EGADMP Cc1ccc(C[NH2+]CCCCCCNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001180060625 1386683907 /nfs/dbraw/zinc/68/39/07/1386683907.db2.gz JWQTXYCDJBENNX-FQEVSTJZSA-N 2 1 345.531 3.103 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001180124304 1386705030 /nfs/dbraw/zinc/70/50/30/1386705030.db2.gz TZCAILIUNLCMMT-UHFFFAOYSA-N 2 1 337.552 3.175 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C)c1ccc(F)cc1 ZINC001180226721 1386738796 /nfs/dbraw/zinc/73/87/96/1386738796.db2.gz ITORDWDKCKXIQK-IPELMVKDSA-N 2 1 349.494 3.196 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]CCCC2CCCC2)C1 ZINC001180259926 1386749528 /nfs/dbraw/zinc/74/95/28/1386749528.db2.gz PHJCWBPMXTXWBU-IBGZPJMESA-N 2 1 337.552 3.175 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCCCCCC[NH2+]CC1CCC1)c1ccccc1 ZINC001180375635 1386778649 /nfs/dbraw/zinc/77/86/49/1386778649.db2.gz MDLQTENTYLDSQT-FQEVSTJZSA-N 2 1 345.531 3.356 20 0 EGADMP C[N@H+](CC(=O)NCCCCCC[NH2+]CC1CCC1)Cc1ccccc1 ZINC001180452697 1386801753 /nfs/dbraw/zinc/80/17/53/1386801753.db2.gz ZGPKDRCONASISX-UHFFFAOYSA-N 2 1 345.531 3.185 20 0 EGADMP C[N@@H+](CC(=O)NCCCCCC[NH2+]CC1CCC1)Cc1ccccc1 ZINC001180452697 1386801757 /nfs/dbraw/zinc/80/17/57/1386801757.db2.gz ZGPKDRCONASISX-UHFFFAOYSA-N 2 1 345.531 3.185 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2c1C[N@@H+](C)C[C@@H]2c1ccccc1)[NH+](C)C ZINC001180862453 1386886908 /nfs/dbraw/zinc/88/69/08/1386886908.db2.gz PJINTOUQLKJFDC-MAUKXSAKSA-N 2 1 337.467 3.153 20 0 EGADMP Cc1nccn1-c1ccncc1NC(=O)[C@H]1CCC(=O)c2ccccc21 ZINC001321400066 1386894671 /nfs/dbraw/zinc/89/46/71/1386894671.db2.gz PSDSOEHAMBDJFB-INIZCTEOSA-N 2 1 346.390 3.275 20 0 EGADMP CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1CC1CC[NH+](CC)CC1 ZINC001181562509 1387016607 /nfs/dbraw/zinc/01/66/07/1387016607.db2.gz BSAFVRGVZRNBDI-GOSISDBHSA-N 2 1 339.524 3.051 20 0 EGADMP COc1ccc(Cl)cc1[C@H](O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001181775389 1387053356 /nfs/dbraw/zinc/05/33/56/1387053356.db2.gz FTCLLRUCKXSMAD-MRXNPFEDSA-N 2 1 340.895 3.235 20 0 EGADMP CC(C)c1ccccc1C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001322282025 1387137897 /nfs/dbraw/zinc/13/78/97/1387137897.db2.gz VDHNEXSJWYAKEQ-FXAWDEMLSA-N 2 1 347.547 3.333 20 0 EGADMP CC[C@H](C)C[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001182896842 1387241428 /nfs/dbraw/zinc/24/14/28/1387241428.db2.gz GRZPWESRSWAQMK-SQGPQFPESA-N 2 1 348.535 3.092 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2ccccc2C[NH3+])cc1 ZINC001329565073 1389158811 /nfs/dbraw/zinc/15/88/11/1389158811.db2.gz UFTHNOKQCHSRLZ-UHFFFAOYSA-N 2 1 339.483 3.307 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001336780567 1389168183 /nfs/dbraw/zinc/16/81/83/1389168183.db2.gz NUKCLLZQLORFPW-OAHLLOKOSA-N 2 1 335.467 3.173 20 0 EGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC001329618704 1389187285 /nfs/dbraw/zinc/18/72/85/1389187285.db2.gz BSUPQGKQUBIOSF-PNGGSLNGSA-N 2 1 341.499 3.282 20 0 EGADMP C[C@@](O)(C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)F ZINC001337856682 1389461751 /nfs/dbraw/zinc/46/17/51/1389461751.db2.gz WTEATARMDUFKJE-RGPMPMONSA-N 2 1 338.442 3.178 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001331031750 1389603701 /nfs/dbraw/zinc/60/37/01/1389603701.db2.gz ZHYZLBMBELSFHV-PKOBYXMFSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@H](C)C[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001331031750 1389603707 /nfs/dbraw/zinc/60/37/07/1389603707.db2.gz ZHYZLBMBELSFHV-PKOBYXMFSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@H](C)C[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001331031750 1389603711 /nfs/dbraw/zinc/60/37/11/1389603711.db2.gz ZHYZLBMBELSFHV-PKOBYXMFSA-N 2 1 337.552 3.076 20 0 EGADMP Cc1ncoc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001332691368 1390154770 /nfs/dbraw/zinc/15/47/70/1390154770.db2.gz LMBYNYXETBRRKE-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP CC(C)C[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001340105960 1390227480 /nfs/dbraw/zinc/22/74/80/1390227480.db2.gz PZIMCJWHKNVGNL-MPGHIAIKSA-N 2 1 337.533 3.011 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H]2CNc2cccc(C)n2)cc(OC)c1 ZINC001341568514 1390503539 /nfs/dbraw/zinc/50/35/39/1390503539.db2.gz ZAGQQNSTFZIILA-KRWDZBQOSA-N 2 1 341.455 3.484 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)n2)c(OC)c1 ZINC001341567793 1390503567 /nfs/dbraw/zinc/50/35/67/1390503567.db2.gz LHOFJGJZTYZCLZ-KRWDZBQOSA-N 2 1 341.455 3.484 20 0 EGADMP COc1ccc2nc(C[N@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)sc2c1 ZINC001343332643 1390707676 /nfs/dbraw/zinc/70/76/76/1390707676.db2.gz GQSYAUQQNUMPQJ-RRFJBIMHSA-N 2 1 345.512 3.467 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccccc3N3CCCC3)C2)CC1 ZINC001347233009 1391035314 /nfs/dbraw/zinc/03/53/14/1391035314.db2.gz DAJDVIXOLVQAPO-LJQANCHMSA-N 2 1 327.516 3.451 20 0 EGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC001353532047 1392033845 /nfs/dbraw/zinc/03/38/45/1392033845.db2.gz VCRRTAFIJRWGCB-GOSISDBHSA-N 2 1 347.466 3.037 20 0 EGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC001353532047 1392033848 /nfs/dbraw/zinc/03/38/48/1392033848.db2.gz VCRRTAFIJRWGCB-GOSISDBHSA-N 2 1 347.466 3.037 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC001353604979 1392048097 /nfs/dbraw/zinc/04/80/97/1392048097.db2.gz OYUWUBHQZRCFLB-SFHVURJKSA-N 2 1 331.504 3.016 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001698850631 1406554024 /nfs/dbraw/zinc/55/40/24/1406554024.db2.gz NKVBHQMZSOLLGK-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1)[NH+](C)C ZINC001479963965 1392499166 /nfs/dbraw/zinc/49/91/66/1392499166.db2.gz ICYBULGFDWHKKU-OALUTQOASA-N 2 1 345.531 3.015 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001480088690 1392579101 /nfs/dbraw/zinc/57/91/01/1392579101.db2.gz BYGPJIZZLUVJCA-QGZVFWFLSA-N 2 1 349.519 3.315 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001481121271 1393125359 /nfs/dbraw/zinc/12/53/59/1393125359.db2.gz WTUDEGZWMWVTBO-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001481121271 1393125360 /nfs/dbraw/zinc/12/53/60/1393125360.db2.gz WTUDEGZWMWVTBO-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC001481121271 1393125361 /nfs/dbraw/zinc/12/53/61/1393125361.db2.gz WTUDEGZWMWVTBO-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@@H](C)c1ccc(F)cc1 ZINC001481137147 1393130632 /nfs/dbraw/zinc/13/06/32/1393130632.db2.gz DQUXDOXPHRCXAF-INIZCTEOSA-N 2 1 349.494 3.199 20 0 EGADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001481215174 1393150174 /nfs/dbraw/zinc/15/01/74/1393150174.db2.gz GJQWLMHJVLNKIR-UZLBHIALSA-N 2 1 339.483 3.043 20 0 EGADMP CC(C)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccc(C(C)C)cc1 ZINC001481358747 1393180969 /nfs/dbraw/zinc/18/09/69/1393180969.db2.gz XTVWNYROWDGASB-WOJBJXKFSA-N 2 1 345.531 3.307 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001698948286 1406688352 /nfs/dbraw/zinc/68/83/52/1406688352.db2.gz VDNJNFSMQHZUGN-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001491112965 1394433983 /nfs/dbraw/zinc/43/39/83/1394433983.db2.gz ATLPGNRPPFLZMQ-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+]1CCC[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001491112965 1394433986 /nfs/dbraw/zinc/43/39/86/1394433986.db2.gz ATLPGNRPPFLZMQ-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+]1CCC[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001491112965 1394433989 /nfs/dbraw/zinc/43/39/89/1394433989.db2.gz ATLPGNRPPFLZMQ-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001481702652 1394461207 /nfs/dbraw/zinc/46/12/07/1394461207.db2.gz ALRVXOAVNUNFTQ-HUUCEWRRSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001481702652 1394461211 /nfs/dbraw/zinc/46/12/11/1394461211.db2.gz ALRVXOAVNUNFTQ-HUUCEWRRSA-N 2 1 349.906 3.076 20 0 EGADMP Cc1cc(C[NH+]2CCCC[C@@H]2CNC(=O)C[N@H+](C)C2CCC2)cs1 ZINC001491210545 1394473191 /nfs/dbraw/zinc/47/31/91/1394473191.db2.gz RQKMVAYGHARHMO-GOSISDBHSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)C[NH+](C)C2CCC2)cs1 ZINC001491210545 1394473192 /nfs/dbraw/zinc/47/31/92/1394473192.db2.gz RQKMVAYGHARHMO-GOSISDBHSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)C[NH+](C)C2CCC2)cs1 ZINC001491210545 1394473194 /nfs/dbraw/zinc/47/31/94/1394473194.db2.gz RQKMVAYGHARHMO-GOSISDBHSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001481748658 1394493256 /nfs/dbraw/zinc/49/32/56/1394493256.db2.gz JRJXTCZQEODUFI-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](CC)c2ccccc2)C1 ZINC001481748658 1394493259 /nfs/dbraw/zinc/49/32/59/1394493259.db2.gz JRJXTCZQEODUFI-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC001481748658 1394493264 /nfs/dbraw/zinc/49/32/64/1394493264.db2.gz JRJXTCZQEODUFI-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CC(C)[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001698960391 1406713491 /nfs/dbraw/zinc/71/34/91/1406713491.db2.gz IAVZOGLJEJBGBB-KXBFYZLASA-N 2 1 349.494 3.101 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2ccc(C)cc2C)CCCC1 ZINC001482234202 1394829889 /nfs/dbraw/zinc/82/98/89/1394829889.db2.gz RGVXOYDTOMSRHW-UHFFFAOYSA-N 2 1 345.531 3.164 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@@]2(CC[NH+](C(C)C)C2)C1)c1ccccc1 ZINC001483848470 1395115497 /nfs/dbraw/zinc/11/54/97/1395115497.db2.gz UUXKLBZFKXIJMV-PZJWPPBQSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](C(C)C)C2)C1)c1ccccc1 ZINC001483848470 1395115498 /nfs/dbraw/zinc/11/54/98/1395115498.db2.gz UUXKLBZFKXIJMV-PZJWPPBQSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](C(C)C)C2)C1)c1ccccc1 ZINC001483848470 1395115501 /nfs/dbraw/zinc/11/55/01/1395115501.db2.gz UUXKLBZFKXIJMV-PZJWPPBQSA-N 2 1 343.515 3.012 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001484755649 1395506348 /nfs/dbraw/zinc/50/63/48/1395506348.db2.gz ZNGDEAYRFXNUQZ-QUCCMNQESA-N 2 1 345.531 3.321 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001484755649 1395506351 /nfs/dbraw/zinc/50/63/51/1395506351.db2.gz ZNGDEAYRFXNUQZ-QUCCMNQESA-N 2 1 345.531 3.321 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001484755649 1395506355 /nfs/dbraw/zinc/50/63/55/1395506355.db2.gz ZNGDEAYRFXNUQZ-QUCCMNQESA-N 2 1 345.531 3.321 20 0 EGADMP CC(C)c1ccccc1C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485351293 1395826930 /nfs/dbraw/zinc/82/69/30/1395826930.db2.gz SQIIEERBDMJGTI-YLJYHZDGSA-N 2 1 347.547 3.333 20 0 EGADMP C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C1C[NH+](CC2CCCC2)C1 ZINC001485517572 1395993961 /nfs/dbraw/zinc/99/39/61/1395993961.db2.gz VRDABSQDYPERIG-KRWDZBQOSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CCC3)C2)CCCCC1 ZINC001494147380 1396384286 /nfs/dbraw/zinc/38/42/86/1396384286.db2.gz LJGLWTCMJDITKR-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+][C@@H](C)c2ccccc2F)CCCC1 ZINC001495953120 1396576734 /nfs/dbraw/zinc/57/67/34/1396576734.db2.gz QAMHRUAVQNQZEJ-INIZCTEOSA-N 2 1 349.494 3.247 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001497323714 1396747426 /nfs/dbraw/zinc/74/74/26/1396747426.db2.gz QCYUHKSWDXKKSA-ZIAGYGMSSA-N 2 1 348.878 3.091 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001497323599 1396747780 /nfs/dbraw/zinc/74/77/80/1396747780.db2.gz QCYUHKSWDXKKSA-KGLIPLIRSA-N 2 1 348.878 3.091 20 0 EGADMP CC(C)c1ccccc1C[N@H+](C)C[C@H](C)NC(=O)CCn1ccnc1 ZINC001498350792 1396971945 /nfs/dbraw/zinc/97/19/45/1396971945.db2.gz TUDAZGGZOKNVPU-KRWDZBQOSA-N 2 1 342.487 3.033 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001498456512 1397003254 /nfs/dbraw/zinc/00/32/54/1397003254.db2.gz KOMGJEJLVPXVFY-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001690780803 1404728991 /nfs/dbraw/zinc/72/89/91/1404728991.db2.gz LYVPMCWZCRHTFJ-QZTJIDSGSA-N 2 1 339.568 3.418 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)Cc1cccc(C)c1 ZINC001691029583 1404939486 /nfs/dbraw/zinc/93/94/86/1404939486.db2.gz KRHGTLXJSVLGSU-HXUWFJFHSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)Cc1cccc(C)c1 ZINC001691029583 1404939488 /nfs/dbraw/zinc/93/94/88/1404939488.db2.gz KRHGTLXJSVLGSU-HXUWFJFHSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C)Cc1cccc(C)c1 ZINC001691029583 1404939491 /nfs/dbraw/zinc/93/94/91/1404939491.db2.gz KRHGTLXJSVLGSU-HXUWFJFHSA-N 2 1 345.531 3.054 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001691065804 1404992660 /nfs/dbraw/zinc/99/26/60/1404992660.db2.gz GLIKJBLNLZSVMI-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@H+](C)CC ZINC001691065804 1404992661 /nfs/dbraw/zinc/99/26/61/1404992661.db2.gz GLIKJBLNLZSVMI-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@@H+](C)CC ZINC001691065804 1404992663 /nfs/dbraw/zinc/99/26/63/1404992663.db2.gz GLIKJBLNLZSVMI-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CC1CC[NH+](CC(=O)N(C)C[C@H]2CC[N@H+]2CCCC(C)(C)C)CC1 ZINC001691670143 1405403273 /nfs/dbraw/zinc/40/32/73/1405403273.db2.gz IJNUMLGLFBGACL-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[N@@H+](C)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001692013235 1405732401 /nfs/dbraw/zinc/73/24/01/1405732401.db2.gz CANBWOWFQMMLCQ-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@H](C)c1ccccc1C ZINC001731813646 1428002894 /nfs/dbraw/zinc/00/28/94/1428002894.db2.gz SUZATFRMNGFFSF-GOSISDBHSA-N 2 1 345.531 3.226 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001731857246 1428091761 /nfs/dbraw/zinc/09/17/61/1428091761.db2.gz JZPMVPYOXORWNW-IBGZPJMESA-N 2 1 337.552 3.127 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC001698585096 1406201208 /nfs/dbraw/zinc/20/12/08/1406201208.db2.gz JVTZHYQSFCYNQO-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP C[C@@H](c1ccccc1F)[N@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001732055587 1428299633 /nfs/dbraw/zinc/29/96/33/1428299633.db2.gz ZCPRFHHFEWFZID-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@@H](C(=O)N1CCC(C[N@@H+](C)C[C@@H](C)CC(C)C)CC1)[NH+](C)C ZINC001732087031 1428348263 /nfs/dbraw/zinc/34/82/63/1428348263.db2.gz IDDGVIDYZGRZDM-HKUYNNGSSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001732101462 1428361730 /nfs/dbraw/zinc/36/17/30/1428361730.db2.gz NPELJNABSFLWRR-QZTJIDSGSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](C)CC1(C(=O)NC2C[NH+](CCCC3CCCC3)C2)CCCCC1 ZINC001732106377 1428363214 /nfs/dbraw/zinc/36/32/14/1428363214.db2.gz UKRGREDYNWFZRZ-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CC3CCC(C)(C)CC3)CCCC2)C1 ZINC001732237902 1428483633 /nfs/dbraw/zinc/48/36/33/1428483633.db2.gz VFPYMTXGUGVGBW-GOSISDBHSA-N 2 1 349.563 3.173 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1ccc(F)cc1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001699219669 1412583888 /nfs/dbraw/zinc/58/38/88/1412583888.db2.gz FUWPHZKVHJLVBX-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001699738034 1413149477 /nfs/dbraw/zinc/14/94/77/1413149477.db2.gz JNKUEBYWKIQWFZ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCCC[N@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001699877007 1413336239 /nfs/dbraw/zinc/33/62/39/1413336239.db2.gz OBRAKTOXNFJMJK-HXUWFJFHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001700356137 1413858183 /nfs/dbraw/zinc/85/81/83/1413858183.db2.gz NLGLLXIZVOCLJW-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H](CNC(=O)c1ccccc1CC[NH+](C)C)[N@@H+](C)CC1CCCC1 ZINC001700472475 1414091179 /nfs/dbraw/zinc/09/11/79/1414091179.db2.gz SUVFAXADNRTWEO-QGZVFWFLSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[N@H+](C)CC1CCCCC1 ZINC001700475007 1414099152 /nfs/dbraw/zinc/09/91/52/1414099152.db2.gz BMQYKBYVGRZMSB-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[N@@H+](C)CC1CCCCC1 ZINC001700475007 1414099157 /nfs/dbraw/zinc/09/91/57/1414099157.db2.gz BMQYKBYVGRZMSB-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)CCC[NH+]2CCCC2)c(C)c1 ZINC001700488529 1414139376 /nfs/dbraw/zinc/13/93/76/1414139376.db2.gz ZWDJJILIMIBINR-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001700544996 1414213417 /nfs/dbraw/zinc/21/34/17/1414213417.db2.gz DPJJZHGRNNCBJM-SJORKVTESA-N 2 1 339.568 3.083 20 0 EGADMP C[C@H]1CCC[C@H](CC[N@@H+](C)CCN(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001732584971 1428797117 /nfs/dbraw/zinc/79/71/17/1428797117.db2.gz DVHOZXIRMDSIKO-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1csc(C)c1)C(C)(C)C ZINC001700998554 1414648627 /nfs/dbraw/zinc/64/86/27/1414648627.db2.gz QRDGUAMAEWCLIZ-INIZCTEOSA-N 2 1 339.549 3.019 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001732628138 1428890353 /nfs/dbraw/zinc/89/03/53/1428890353.db2.gz UCVAZMZNCASMCY-WOJBJXKFSA-N 2 1 345.531 3.020 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001732976301 1429103090 /nfs/dbraw/zinc/10/30/90/1429103090.db2.gz HKBKHSSHSVPWCJ-MRXNPFEDSA-N 2 1 348.535 3.282 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccccc1F ZINC001732975223 1429102053 /nfs/dbraw/zinc/10/20/53/1429102053.db2.gz VQCNEOGTMJHMRL-CABCVRRESA-N 2 1 346.450 3.001 20 0 EGADMP C[C@@H](C[NH2+]Cc1cccc(F)c1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001733006841 1429127384 /nfs/dbraw/zinc/12/73/84/1429127384.db2.gz MWFHTQNRKIDCMF-INIZCTEOSA-N 2 1 349.494 3.075 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CCC1CCCC1 ZINC001713003423 1417557213 /nfs/dbraw/zinc/55/72/13/1417557213.db2.gz HIEHIKHHMVJROY-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP CCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001713099291 1417650079 /nfs/dbraw/zinc/65/00/79/1417650079.db2.gz KTRMSKKKQYSRDO-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]([C@H](C)c2ccccc2)C1 ZINC001713222123 1417807233 /nfs/dbraw/zinc/80/72/33/1417807233.db2.gz XCELZBSPTWVYMO-MOPGFXCFSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001713222123 1417807236 /nfs/dbraw/zinc/80/72/36/1417807236.db2.gz XCELZBSPTWVYMO-MOPGFXCFSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001713222123 1417807242 /nfs/dbraw/zinc/80/72/42/1417807242.db2.gz XCELZBSPTWVYMO-MOPGFXCFSA-N 2 1 345.531 3.308 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@H+]2CCCC2CCC2)CCC1 ZINC001713253106 1417846532 /nfs/dbraw/zinc/84/65/32/1417846532.db2.gz MZIKMYQBKYPBQE-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001713269016 1417878492 /nfs/dbraw/zinc/87/84/92/1417878492.db2.gz QESDLZBXUOHABU-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713276518 1417897013 /nfs/dbraw/zinc/89/70/13/1417897013.db2.gz WTJXCRCISHUDOE-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001713279462 1417905103 /nfs/dbraw/zinc/90/51/03/1417905103.db2.gz ZNRHFYPPCIJSEH-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP C[C@H](C[N@@H+](C)C/C=C/c1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001733067602 1429222010 /nfs/dbraw/zinc/22/20/10/1429222010.db2.gz QULVGTLEINQENU-VSRDTVRMSA-N 2 1 343.515 3.012 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001713469546 1418135390 /nfs/dbraw/zinc/13/53/90/1418135390.db2.gz PRHYOULHEKJIPN-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1ccc(F)cc1 ZINC001713484716 1418177676 /nfs/dbraw/zinc/17/76/76/1418177676.db2.gz RYMQITGKNAOVBJ-UHFFFAOYSA-N 2 1 349.494 3.028 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001713792704 1418610587 /nfs/dbraw/zinc/61/05/87/1418610587.db2.gz POUBOXZKWJYELI-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001713792704 1418610590 /nfs/dbraw/zinc/61/05/90/1418610590.db2.gz POUBOXZKWJYELI-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001713838360 1418635668 /nfs/dbraw/zinc/63/56/68/1418635668.db2.gz FIILZQKAKHYWMK-MOPGFXCFSA-N 2 1 343.515 3.123 20 0 EGADMP Cc1cccc(C[N@H+](C)C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001713896476 1418694471 /nfs/dbraw/zinc/69/44/71/1418694471.db2.gz CPVWFKNBQRMIQY-FQEVSTJZSA-N 2 1 345.531 3.007 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001714021572 1418804996 /nfs/dbraw/zinc/80/49/96/1418804996.db2.gz OTHWZIVJHUCPTR-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001714021572 1418804999 /nfs/dbraw/zinc/80/49/99/1418804999.db2.gz OTHWZIVJHUCPTR-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001714021572 1418805001 /nfs/dbraw/zinc/80/50/01/1418805001.db2.gz OTHWZIVJHUCPTR-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001714041635 1418831683 /nfs/dbraw/zinc/83/16/83/1418831683.db2.gz LJGKNUVBXOTOTG-IBGZPJMESA-N 2 1 349.563 3.127 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001714045634 1418839848 /nfs/dbraw/zinc/83/98/48/1418839848.db2.gz OECAVWSNUOUOCG-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCN(C(=O)CCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001714053371 1418852268 /nfs/dbraw/zinc/85/22/68/1418852268.db2.gz KKPPQFMCSNTOAT-SOAGJPPSSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CCC([NH2+]Cc2ccc(C)cc2C)CC1 ZINC001714197855 1419002868 /nfs/dbraw/zinc/00/28/68/1419002868.db2.gz WFGDBXJSXNDPKO-UHFFFAOYSA-N 2 1 345.531 3.162 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NCCC2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001714331136 1419111008 /nfs/dbraw/zinc/11/10/08/1419111008.db2.gz NYBLXTFDMJUEBF-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001714455686 1419188510 /nfs/dbraw/zinc/18/85/10/1419188510.db2.gz YKGKAISRLSNZCA-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001714455686 1419188514 /nfs/dbraw/zinc/18/85/14/1419188514.db2.gz YKGKAISRLSNZCA-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP C[C@H](c1ccc2ccccc2c1)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001714539920 1419266159 /nfs/dbraw/zinc/26/61/59/1419266159.db2.gz SDCKPRHQKARAJW-OXQOHEQNSA-N 2 1 339.483 3.043 20 0 EGADMP C[C@H](c1ccc2ccccc2c1)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001714539920 1419266160 /nfs/dbraw/zinc/26/61/60/1419266160.db2.gz SDCKPRHQKARAJW-OXQOHEQNSA-N 2 1 339.483 3.043 20 0 EGADMP Cc1ccc2ccccc2c1C[N@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001714557829 1419285092 /nfs/dbraw/zinc/28/50/92/1419285092.db2.gz MHHMTLRBQBRALG-UHFFFAOYSA-N 2 1 341.499 3.038 20 0 EGADMP CC(C)(C(=O)NC[C@H]1CC[N@@H+](CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001714637851 1419409273 /nfs/dbraw/zinc/40/92/73/1419409273.db2.gz YTIJEKQHYAPXFN-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001714664805 1419452233 /nfs/dbraw/zinc/45/22/33/1419452233.db2.gz GGZAEKXTBRNOFL-KRWDZBQOSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001714758170 1419496861 /nfs/dbraw/zinc/49/68/61/1419496861.db2.gz YQEYSJMGETVSNI-QGZVFWFLSA-N 2 1 333.520 3.082 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@H]1CC[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001714885396 1419626354 /nfs/dbraw/zinc/62/63/54/1419626354.db2.gz WPTCKFLIPYWIKG-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001714885396 1419626356 /nfs/dbraw/zinc/62/63/56/1419626356.db2.gz WPTCKFLIPYWIKG-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001714885396 1419626357 /nfs/dbraw/zinc/62/63/57/1419626357.db2.gz WPTCKFLIPYWIKG-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)[C@@H](C)C1 ZINC001715098253 1419838764 /nfs/dbraw/zinc/83/87/64/1419838764.db2.gz LJPNTMZAAVNBAP-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001715191380 1419923567 /nfs/dbraw/zinc/92/35/67/1419923567.db2.gz QWVPJINGGPLIQI-MXVIHJGJSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC1CCCCCC1 ZINC001715494863 1420176080 /nfs/dbraw/zinc/17/60/80/1420176080.db2.gz XTGOLZWSLURSGZ-IBGZPJMESA-N 2 1 337.552 3.172 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@H+](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001716043383 1420506626 /nfs/dbraw/zinc/50/66/26/1420506626.db2.gz WFDKISNEZPVJNW-JKSUJKDBSA-N 2 1 349.494 3.055 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCCC(C)(C)C)C1 ZINC001716051940 1420516293 /nfs/dbraw/zinc/51/62/93/1420516293.db2.gz UCUHORUMVCHBDT-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CCC2CCCCCC2)C1)[NH+](C)C ZINC001716849375 1420978709 /nfs/dbraw/zinc/97/87/09/1420978709.db2.gz WKUHSQBNYAYGGI-AZUAARDMSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2(C)CC[NH+](CC3CCC3)CC2)C1 ZINC001716887175 1421010986 /nfs/dbraw/zinc/01/09/86/1421010986.db2.gz CXQRRHWRZDKWEE-LJQANCHMSA-N 2 1 349.563 3.127 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@@H+](CC3CCC3)CC2)CCCCC1 ZINC001717198755 1421165670 /nfs/dbraw/zinc/16/56/70/1421165670.db2.gz XSQYRUNFDVZEGW-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+](CC(C)C)C1 ZINC001717216426 1421194589 /nfs/dbraw/zinc/19/45/89/1421194589.db2.gz IPHBQBBDFYGWQH-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001717216426 1421194590 /nfs/dbraw/zinc/19/45/90/1421194590.db2.gz IPHBQBBDFYGWQH-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001717216426 1421194591 /nfs/dbraw/zinc/19/45/91/1421194591.db2.gz IPHBQBBDFYGWQH-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCc1cccc(C[N@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)c1 ZINC001717338073 1421275392 /nfs/dbraw/zinc/27/53/92/1421275392.db2.gz PKHSJDKFOMFCLF-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001717459550 1421389230 /nfs/dbraw/zinc/38/92/30/1421389230.db2.gz GNAMGTPSORTBKA-ROUUACIJSA-N 2 1 345.531 3.082 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](CC3CCCCC3)C2)C1 ZINC001733296675 1429479663 /nfs/dbraw/zinc/47/96/63/1429479663.db2.gz JDNRBNGGLJOKMS-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@H+](CC3CCCCC3)C2)C1 ZINC001733296675 1429479669 /nfs/dbraw/zinc/47/96/69/1429479669.db2.gz JDNRBNGGLJOKMS-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001733296675 1429479673 /nfs/dbraw/zinc/47/96/73/1429479673.db2.gz JDNRBNGGLJOKMS-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C[NH2+][C@@H](C)c1ccccc1)C(C)(C)C ZINC001717972431 1421744056 /nfs/dbraw/zinc/74/40/56/1421744056.db2.gz GYAVXRABUGMSDA-MAUKXSAKSA-N 2 1 342.487 3.073 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001723457030 1424417354 /nfs/dbraw/zinc/41/73/54/1424417354.db2.gz FTQAFMFVLFYIIZ-CRAIPNDOSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001723457030 1424417356 /nfs/dbraw/zinc/41/73/56/1424417356.db2.gz FTQAFMFVLFYIIZ-CRAIPNDOSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001723457030 1424417359 /nfs/dbraw/zinc/41/73/59/1424417359.db2.gz FTQAFMFVLFYIIZ-CRAIPNDOSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001723457030 1424417361 /nfs/dbraw/zinc/41/73/61/1424417361.db2.gz FTQAFMFVLFYIIZ-CRAIPNDOSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CCC3CCCC3)C[C@H]21 ZINC001724658189 1425026634 /nfs/dbraw/zinc/02/66/34/1425026634.db2.gz ILLZBLUNGOPRDN-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC001724658189 1425026638 /nfs/dbraw/zinc/02/66/38/1425026638.db2.gz ILLZBLUNGOPRDN-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001724658189 1425026642 /nfs/dbraw/zinc/02/66/42/1425026642.db2.gz ILLZBLUNGOPRDN-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001724658864 1425029659 /nfs/dbraw/zinc/02/96/59/1425029659.db2.gz LCJGPKYTRBFETR-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001724658864 1425029669 /nfs/dbraw/zinc/02/96/69/1425029669.db2.gz LCJGPKYTRBFETR-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001724658864 1425029680 /nfs/dbraw/zinc/02/96/80/1425029680.db2.gz LCJGPKYTRBFETR-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001724836020 1425183220 /nfs/dbraw/zinc/18/32/20/1425183220.db2.gz LHPBPPTXJRALFZ-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001724843681 1425193478 /nfs/dbraw/zinc/19/34/78/1425193478.db2.gz NQTVYWNPTYCCNR-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001724943435 1425327628 /nfs/dbraw/zinc/32/76/28/1425327628.db2.gz GQBXPLBHQHRBBM-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CCCC1CCCC1 ZINC001724991472 1425393789 /nfs/dbraw/zinc/39/37/89/1425393789.db2.gz HICYURVZYXPHGP-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CCCC1CCCC1 ZINC001724991472 1425393793 /nfs/dbraw/zinc/39/37/93/1425393793.db2.gz HICYURVZYXPHGP-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CCCC1CCCC1 ZINC001724991472 1425393800 /nfs/dbraw/zinc/39/38/00/1425393800.db2.gz HICYURVZYXPHGP-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccc(C)cc1C ZINC001725054660 1425489347 /nfs/dbraw/zinc/48/93/47/1425489347.db2.gz YEENLTUMUFVBFI-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C)cc1C ZINC001725054660 1425489350 /nfs/dbraw/zinc/48/93/50/1425489350.db2.gz YEENLTUMUFVBFI-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C)cc1C ZINC001725054660 1425489352 /nfs/dbraw/zinc/48/93/52/1425489352.db2.gz YEENLTUMUFVBFI-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1cccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC001725143051 1425622899 /nfs/dbraw/zinc/62/28/99/1425622899.db2.gz LQSQRHVHTUGBLC-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001731696499 1427746138 /nfs/dbraw/zinc/74/61/38/1427746138.db2.gz ATZVBCBNIPQYHN-WOJBJXKFSA-N 2 1 345.531 3.108 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2ccc(C)cc2C)C1 ZINC001731721561 1427791563 /nfs/dbraw/zinc/79/15/63/1427791563.db2.gz UWOOALIBQBYPCA-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C)cc2C)C1 ZINC001731721561 1427791566 /nfs/dbraw/zinc/79/15/66/1427791566.db2.gz UWOOALIBQBYPCA-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C)cc2C)C1 ZINC001731721561 1427791568 /nfs/dbraw/zinc/79/15/68/1427791568.db2.gz UWOOALIBQBYPCA-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@H]2CNC(=O)CCC[NH+](C)C)c(C)c1 ZINC001731830737 1428039913 /nfs/dbraw/zinc/03/99/13/1428039913.db2.gz NPECNJZFMUFAQY-IBGZPJMESA-N 2 1 345.531 3.034 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1ccccc1C ZINC001731864073 1428108524 /nfs/dbraw/zinc/10/85/24/1428108524.db2.gz DQZROCGHSVKDHA-FQEVSTJZSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)Cc1ccccc1C ZINC001731864073 1428108527 /nfs/dbraw/zinc/10/85/27/1428108527.db2.gz DQZROCGHSVKDHA-FQEVSTJZSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)Cc1ccccc1C ZINC001731864073 1428108529 /nfs/dbraw/zinc/10/85/29/1428108529.db2.gz DQZROCGHSVKDHA-FQEVSTJZSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@@H](C)c1ccccc1C ZINC001731867831 1428117813 /nfs/dbraw/zinc/11/78/13/1428117813.db2.gz XPKQCBFQXXNDGE-SFHVURJKSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H](C)c1cccc(C)c1 ZINC001731868324 1428119732 /nfs/dbraw/zinc/11/97/32/1428119732.db2.gz GFRHPBVDDXGTAM-SFHVURJKSA-N 2 1 345.531 3.226 20 0 EGADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC001731988024 1428198823 /nfs/dbraw/zinc/19/88/23/1428198823.db2.gz RIIKPEFZCWQTNE-XLIONFOSSA-N 2 1 339.483 3.099 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001733782848 1430051199 /nfs/dbraw/zinc/05/11/99/1430051199.db2.gz PYJVWEDHBBEIRT-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001733782848 1430051203 /nfs/dbraw/zinc/05/12/03/1430051203.db2.gz PYJVWEDHBBEIRT-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001733782848 1430051211 /nfs/dbraw/zinc/05/12/11/1430051211.db2.gz PYJVWEDHBBEIRT-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CCCC1 ZINC001734105767 1437891616 /nfs/dbraw/zinc/89/16/16/1437891616.db2.gz HQHVMFLGVHFZKK-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CCCC1 ZINC001734105767 1437891618 /nfs/dbraw/zinc/89/16/18/1437891618.db2.gz HQHVMFLGVHFZKK-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP C[C@H]([NH2+]CCC1CCCC1)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001752147610 1440146534 /nfs/dbraw/zinc/14/65/34/1440146534.db2.gz VPIAJHMUDKFTAI-PXNSSMCTSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)CC1CC(C)C1 ZINC001752215383 1440155867 /nfs/dbraw/zinc/15/58/67/1440155867.db2.gz NVVLBLQCNYJYOR-JLAWEPINSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)Cc1ccsc1 ZINC001752219417 1440156111 /nfs/dbraw/zinc/15/61/11/1440156111.db2.gz JNPIZDQHGNZCQP-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)Cc1ccsc1 ZINC001752219417 1440156112 /nfs/dbraw/zinc/15/61/12/1440156112.db2.gz JNPIZDQHGNZCQP-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)Cc1ccsc1 ZINC001752219417 1440156114 /nfs/dbraw/zinc/15/61/14/1440156114.db2.gz JNPIZDQHGNZCQP-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001752310404 1440170006 /nfs/dbraw/zinc/17/00/06/1440170006.db2.gz OSNIRDJSJDWISQ-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CCC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001752436864 1440180371 /nfs/dbraw/zinc/18/03/71/1440180371.db2.gz ZTVSBUAWOBZPLF-WYNBNGFRSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001752470545 1440184239 /nfs/dbraw/zinc/18/42/39/1440184239.db2.gz HCBCIRHNGGJXEK-RTBURBONSA-N 2 1 349.563 3.027 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCC1CCCC1)C1CC1 ZINC001752520466 1440192423 /nfs/dbraw/zinc/19/24/23/1440192423.db2.gz YYKHXFHPPBVDFW-WOJBJXKFSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001752564361 1440195237 /nfs/dbraw/zinc/19/52/37/1440195237.db2.gz AFDSZIAMVUQVPO-SLFFLAALSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](C[NH2+]CCCC3CCCC3)C2)C1 ZINC001752809507 1440216301 /nfs/dbraw/zinc/21/63/01/1440216301.db2.gz FNVKCKMDTVFYSL-UXHICEINSA-N 2 1 349.563 3.127 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H](C[NH2+]CCCC3CCCC3)C2)C1 ZINC001752809508 1440216317 /nfs/dbraw/zinc/21/63/17/1440216317.db2.gz FNVKCKMDTVFYSL-VQTJNVASSA-N 2 1 349.563 3.127 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[NH2+]CC1=CCCCC1 ZINC001752873120 1440237520 /nfs/dbraw/zinc/23/75/20/1440237520.db2.gz OYBRNHNTJWHOLM-HKUYNNGSSA-N 2 1 347.547 3.236 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001752983422 1440257594 /nfs/dbraw/zinc/25/75/94/1440257594.db2.gz KFFGLBBJONAUSU-WOJBJXKFSA-N 2 1 343.515 3.102 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001752983422 1440257595 /nfs/dbraw/zinc/25/75/95/1440257595.db2.gz KFFGLBBJONAUSU-WOJBJXKFSA-N 2 1 343.515 3.102 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001752995230 1440261623 /nfs/dbraw/zinc/26/16/23/1440261623.db2.gz QRBAQZUIMQGORI-CKHBTRQNSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001752995230 1440261624 /nfs/dbraw/zinc/26/16/24/1440261624.db2.gz QRBAQZUIMQGORI-CKHBTRQNSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001752995230 1440261625 /nfs/dbraw/zinc/26/16/25/1440261625.db2.gz QRBAQZUIMQGORI-CKHBTRQNSA-N 2 1 349.563 3.386 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[C@H]([N@@H+](C)CCC3=CCCCC3)C2)CC1 ZINC001752997892 1440262992 /nfs/dbraw/zinc/26/29/92/1440262992.db2.gz ZGQKNMCAAWVJGN-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001753007625 1440266211 /nfs/dbraw/zinc/26/62/11/1440266211.db2.gz VYQNKJKQTHVWBR-IAGOWNOFSA-N 2 1 331.504 3.025 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@H+](C)CC1CC2(CCC2)C1 ZINC001753049883 1440279026 /nfs/dbraw/zinc/27/90/26/1440279026.db2.gz QNUFGDHSIJQQGG-MRXNPFEDSA-N 2 1 346.519 3.025 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@@H+](C)CC1CC2(CCC2)C1 ZINC001753049883 1440279027 /nfs/dbraw/zinc/27/90/27/1440279027.db2.gz QNUFGDHSIJQQGG-MRXNPFEDSA-N 2 1 346.519 3.025 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)CC1CC(C)(C)C1 ZINC001753090853 1440299168 /nfs/dbraw/zinc/29/91/68/1440299168.db2.gz AWBZBHQRDTWYSB-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H]1CCC[NH+]1CC1CCCC1 ZINC001753102761 1440304902 /nfs/dbraw/zinc/30/49/02/1440304902.db2.gz CLUAHNQIOOQBAP-LJQANCHMSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001753102761 1440304903 /nfs/dbraw/zinc/30/49/03/1440304903.db2.gz CLUAHNQIOOQBAP-LJQANCHMSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1 ZINC001753102761 1440304904 /nfs/dbraw/zinc/30/49/04/1440304904.db2.gz CLUAHNQIOOQBAP-LJQANCHMSA-N 2 1 349.563 3.410 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001753112882 1440309471 /nfs/dbraw/zinc/30/94/71/1440309471.db2.gz IFXNKTVPZMUUKE-YSKLNCTFSA-N 2 1 335.536 3.186 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001753112882 1440309472 /nfs/dbraw/zinc/30/94/72/1440309472.db2.gz IFXNKTVPZMUUKE-YSKLNCTFSA-N 2 1 335.536 3.186 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001753112882 1440309473 /nfs/dbraw/zinc/30/94/73/1440309473.db2.gz IFXNKTVPZMUUKE-YSKLNCTFSA-N 2 1 335.536 3.186 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1cc(C)ccc1C ZINC001753115589 1440311101 /nfs/dbraw/zinc/31/11/01/1440311101.db2.gz FJRIEACZFMBTGI-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1C ZINC001753115589 1440311102 /nfs/dbraw/zinc/31/11/02/1440311102.db2.gz FJRIEACZFMBTGI-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(C)ccc1C ZINC001753115589 1440311103 /nfs/dbraw/zinc/31/11/03/1440311103.db2.gz FJRIEACZFMBTGI-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001753136192 1440318875 /nfs/dbraw/zinc/31/88/75/1440318875.db2.gz UJLUGZLFJRVREP-KJYWSYJISA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001753136192 1440318876 /nfs/dbraw/zinc/31/88/76/1440318876.db2.gz UJLUGZLFJRVREP-KJYWSYJISA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001753136192 1440318877 /nfs/dbraw/zinc/31/88/77/1440318877.db2.gz UJLUGZLFJRVREP-KJYWSYJISA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001753137281 1440319557 /nfs/dbraw/zinc/31/95/57/1440319557.db2.gz HPSVRNQJWCLFHU-VQIMIIECSA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001753137281 1440319558 /nfs/dbraw/zinc/31/95/58/1440319558.db2.gz HPSVRNQJWCLFHU-VQIMIIECSA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001753137281 1440319559 /nfs/dbraw/zinc/31/95/59/1440319559.db2.gz HPSVRNQJWCLFHU-VQIMIIECSA-N 2 1 349.494 3.057 20 0 EGADMP C[C@H]1CCC[C@H](CC[N@@H+](CCNC(=O)C2CC[NH+](C)CC2)C2CC2)C1 ZINC001753159629 1440332849 /nfs/dbraw/zinc/33/28/49/1440332849.db2.gz VSDSGSMGLJHMKC-ZWKOTPCHSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1cc(C)c(C[NH+](CCNC(=O)C[N@H+](C)C(C)C)C2CC2)c(C)c1 ZINC001753165185 1440335774 /nfs/dbraw/zinc/33/57/74/1440335774.db2.gz PXMJWGLAUSAZOW-UHFFFAOYSA-N 2 1 345.531 3.033 20 0 EGADMP Cc1cc(C)c(C[N@@H+](CCNC(=O)C[NH+](C)C(C)C)C2CC2)c(C)c1 ZINC001753165185 1440335775 /nfs/dbraw/zinc/33/57/75/1440335775.db2.gz PXMJWGLAUSAZOW-UHFFFAOYSA-N 2 1 345.531 3.033 20 0 EGADMP Cc1cc(C)c(C[N@H+](CCNC(=O)C[NH+](C)C(C)C)C2CC2)c(C)c1 ZINC001753165185 1440335776 /nfs/dbraw/zinc/33/57/76/1440335776.db2.gz PXMJWGLAUSAZOW-UHFFFAOYSA-N 2 1 345.531 3.033 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001753273418 1440345861 /nfs/dbraw/zinc/34/58/61/1440345861.db2.gz BOTYDRWWBBYOST-RHGXJLFNSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)[C@H](C(=O)NCC[C@H]1CC[N@@H+](CCCC(C)(C)C)C1)[NH+](C)C ZINC001753333973 1440371159 /nfs/dbraw/zinc/37/11/59/1440371159.db2.gz GORXFDSKTCALBJ-ZWKOTPCHSA-N 2 1 339.568 3.227 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCCC2)C1 ZINC001753355818 1440379927 /nfs/dbraw/zinc/37/99/27/1440379927.db2.gz SZQKUVFBWRHNQA-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001753357972 1440381106 /nfs/dbraw/zinc/38/11/06/1440381106.db2.gz IUFZHLCQAAHCNT-IRXDYDNUSA-N 2 1 349.494 3.009 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001753357972 1440381107 /nfs/dbraw/zinc/38/11/07/1440381107.db2.gz IUFZHLCQAAHCNT-IRXDYDNUSA-N 2 1 349.494 3.009 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001753357972 1440381108 /nfs/dbraw/zinc/38/11/08/1440381108.db2.gz IUFZHLCQAAHCNT-IRXDYDNUSA-N 2 1 349.494 3.009 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001753366045 1440385155 /nfs/dbraw/zinc/38/51/55/1440385155.db2.gz WMHKEPNYINLQSX-UHFFFAOYSA-N 2 1 342.487 3.227 20 0 EGADMP CC(C)CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001753365992 1440385172 /nfs/dbraw/zinc/38/51/72/1440385172.db2.gz UKKHTQTWLGHKRB-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001753365992 1440385173 /nfs/dbraw/zinc/38/51/73/1440385173.db2.gz UKKHTQTWLGHKRB-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001753365992 1440385174 /nfs/dbraw/zinc/38/51/74/1440385174.db2.gz UKKHTQTWLGHKRB-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C(=O)N[C@H]1CCC[N@H+]([C@H](CC)c2ccc(F)cc2)C1)[NH+](C)C ZINC001753368908 1440386695 /nfs/dbraw/zinc/38/66/95/1440386695.db2.gz WOCKXFZPJOBODU-IPMKNSEASA-N 2 1 349.494 3.198 20 0 EGADMP CC/C=C/CC[NH2+]C[C@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@@H]1C ZINC001753534201 1440432013 /nfs/dbraw/zinc/43/20/13/1440432013.db2.gz QQMALTPNTZUMDN-YWFTZVROSA-N 2 1 346.519 3.203 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001753586528 1440441400 /nfs/dbraw/zinc/44/14/00/1440441400.db2.gz RPFGXEJPHUCZPN-UAFMIMERSA-N 2 1 349.563 3.457 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001753601604 1440446527 /nfs/dbraw/zinc/44/65/27/1440446527.db2.gz RWAJBALCXOSBLI-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC2(CC[NH+](CC3CCCCC3)C2)CC1 ZINC001753603335 1440447152 /nfs/dbraw/zinc/44/71/52/1440447152.db2.gz VBCUNAURKLBGHM-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC2(CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001753603335 1440447153 /nfs/dbraw/zinc/44/71/53/1440447153.db2.gz VBCUNAURKLBGHM-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC2(CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001753603335 1440447154 /nfs/dbraw/zinc/44/71/54/1440447154.db2.gz VBCUNAURKLBGHM-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001753740382 1440478999 /nfs/dbraw/zinc/47/89/99/1440478999.db2.gz DREXZCYQNMQYBO-CTNGQTDRSA-N 2 1 347.547 3.093 20 0 EGADMP CC/C=C\CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001753776362 1440486473 /nfs/dbraw/zinc/48/64/73/1440486473.db2.gz DGXJOQARPDPSGQ-MRNGTQDMSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC1CCCC1 ZINC001753777774 1440486791 /nfs/dbraw/zinc/48/67/91/1440486791.db2.gz VMMKOJNZEVAHDN-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccccc2C)C1 ZINC001753798740 1440490403 /nfs/dbraw/zinc/49/04/03/1440490403.db2.gz FFFSGOINHTXNDV-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCC(C)C ZINC001753811684 1440492818 /nfs/dbraw/zinc/49/28/18/1440492818.db2.gz MCPPMYHESCJUPK-MJGOQNOKSA-N 2 1 348.535 3.235 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C(C)C ZINC001753829962 1440499331 /nfs/dbraw/zinc/49/93/31/1440499331.db2.gz DYODAXLYXSJWKK-QZTJIDSGSA-N 2 1 337.552 3.027 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]([NH2+]Cc2ccccc2)C(C)C)C1 ZINC001753837749 1440501662 /nfs/dbraw/zinc/50/16/62/1440501662.db2.gz OSHFTDYEAANFIG-VQTJNVASSA-N 2 1 345.531 3.039 20 0 EGADMP C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001753971284 1440527146 /nfs/dbraw/zinc/52/71/46/1440527146.db2.gz WBNOXPVIONFRRH-PXNSSMCTSA-N 2 1 343.515 3.078 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CC[NH2+]CCC1CCCCCC1 ZINC001753983475 1440528204 /nfs/dbraw/zinc/52/82/04/1440528204.db2.gz ZZBWUANLGQLDPY-INIZCTEOSA-N 2 1 334.508 3.036 20 0 EGADMP CCc1cccc(C[NH2+]CCN(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001754045490 1440535047 /nfs/dbraw/zinc/53/50/47/1440535047.db2.gz QTQQMRMSAUSBJE-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1ccccc1F)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001754044993 1440535073 /nfs/dbraw/zinc/53/50/73/1440535073.db2.gz AFPSNBRUCACPNA-QFBILLFUSA-N 2 1 349.494 3.198 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cc(C)sc1C ZINC001754131278 1440543632 /nfs/dbraw/zinc/54/36/32/1440543632.db2.gz ZCHMUJMADQTRBL-QWNKOJSDSA-N 2 1 349.544 3.001 20 0 EGADMP C[C@@H](C[N@@H+](C)CC1CCCCCC1)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001754312864 1440574139 /nfs/dbraw/zinc/57/41/39/1440574139.db2.gz JVZWYXMTYGFFMB-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](C[NH+](C)CC1CCCCCC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001754312864 1440574140 /nfs/dbraw/zinc/57/41/40/1440574140.db2.gz JVZWYXMTYGFFMB-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](C[NH+](C)CC1CCCCCC1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001754312864 1440574141 /nfs/dbraw/zinc/57/41/41/1440574141.db2.gz JVZWYXMTYGFFMB-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](C[N@@H+](C)CC1CCC(C)CC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001754314519 1440574763 /nfs/dbraw/zinc/57/47/63/1440574763.db2.gz DRGWERREFFJFMB-XBMUEBEBSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](C[N@@H+](C)CCC(C)(C)C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001754317434 1440576366 /nfs/dbraw/zinc/57/63/66/1440576366.db2.gz DETWURDYWLGKKG-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001754318678 1440576859 /nfs/dbraw/zinc/57/68/59/1440576859.db2.gz ITHNSAICTCFOQY-DZGCQCFKSA-N 2 1 348.878 3.043 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001754318678 1440576860 /nfs/dbraw/zinc/57/68/60/1440576860.db2.gz ITHNSAICTCFOQY-DZGCQCFKSA-N 2 1 348.878 3.043 20 0 EGADMP C[C@H](C[N@@H+](C)CC1CCCCCC1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001754323921 1440579511 /nfs/dbraw/zinc/57/95/11/1440579511.db2.gz NNAIZXQQTZFGOK-AOIWGVFYSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](C[NH+](C)CC1CCCCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001754323921 1440579512 /nfs/dbraw/zinc/57/95/12/1440579512.db2.gz NNAIZXQQTZFGOK-AOIWGVFYSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](C[NH+](C)CC1CCCCCC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001754323921 1440579513 /nfs/dbraw/zinc/57/95/13/1440579513.db2.gz NNAIZXQQTZFGOK-AOIWGVFYSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]2CCCCC2)cc1C ZINC001754337126 1440586919 /nfs/dbraw/zinc/58/69/19/1440586919.db2.gz RRFHSEKLHRNWCT-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001754371036 1440592574 /nfs/dbraw/zinc/59/25/74/1440592574.db2.gz VOKRNMKPKIBDNC-AZUAARDMSA-N 2 1 345.531 3.367 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCCN(C)C(=O)C[N@@H+](C)C2CCC2)c1 ZINC001754376096 1440592902 /nfs/dbraw/zinc/59/29/02/1440592902.db2.gz ZPTNJOIKPZIKDK-GOSISDBHSA-N 2 1 345.531 3.287 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)[C@@H](CC)C1 ZINC001754466793 1440604443 /nfs/dbraw/zinc/60/44/43/1440604443.db2.gz JCAHWGHSMRJHPU-VQTJNVASSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001754506162 1440616519 /nfs/dbraw/zinc/61/65/19/1440616519.db2.gz XOZMJPRJFKZXJV-MOPGFXCFSA-N 2 1 343.515 3.123 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CCC2CCCCCC2)CC1 ZINC001754516044 1440618588 /nfs/dbraw/zinc/61/85/88/1440618588.db2.gz MHVYBJUFZXPJNV-IBGZPJMESA-N 2 1 349.563 3.460 20 0 EGADMP CC(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001754544963 1440627037 /nfs/dbraw/zinc/62/70/37/1440627037.db2.gz PKYSSIBWKLSACK-SEBOWIOWSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001754598182 1440641851 /nfs/dbraw/zinc/64/18/51/1440641851.db2.gz RPHQUYKUYOTKPN-MSOLQXFVSA-N 2 1 337.552 3.410 20 0 EGADMP CC(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001754613571 1440644266 /nfs/dbraw/zinc/64/42/66/1440644266.db2.gz PASRJPDNODAMCG-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CCCC1 ZINC001754655719 1440653418 /nfs/dbraw/zinc/65/34/18/1440653418.db2.gz SNJIVCXKKZRKBR-MOPGFXCFSA-N 2 1 337.552 3.170 20 0 EGADMP CCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001754662347 1440655459 /nfs/dbraw/zinc/65/54/59/1440655459.db2.gz WMISLQBRLARPTL-FQEVSTJZSA-N 2 1 346.519 3.086 20 0 EGADMP CCCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001754662347 1440655460 /nfs/dbraw/zinc/65/54/60/1440655460.db2.gz WMISLQBRLARPTL-FQEVSTJZSA-N 2 1 346.519 3.086 20 0 EGADMP CCCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001754716213 1440671591 /nfs/dbraw/zinc/67/15/91/1440671591.db2.gz NZTPQOUBFQRRHY-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@@H+](CC2CCCCCC2)C1 ZINC001754729418 1440678220 /nfs/dbraw/zinc/67/82/20/1440678220.db2.gz JOIYHVKVWZIZQZ-HXUWFJFHSA-N 2 1 337.552 3.127 20 0 EGADMP CCCCCC[N@H+]1CCC[C@@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001754732175 1440680264 /nfs/dbraw/zinc/68/02/64/1440680264.db2.gz OYPCRZWBGVWQLS-QUCCMNQESA-N 2 1 337.552 3.127 20 0 EGADMP CCCCCC[NH+]1CCC[C@@](C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001754732175 1440680265 /nfs/dbraw/zinc/68/02/65/1440680265.db2.gz OYPCRZWBGVWQLS-QUCCMNQESA-N 2 1 337.552 3.127 20 0 EGADMP CCCCCC[NH+]1CCC[C@@](C)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001754732175 1440680266 /nfs/dbraw/zinc/68/02/66/1440680266.db2.gz OYPCRZWBGVWQLS-QUCCMNQESA-N 2 1 337.552 3.127 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001754734407 1440681569 /nfs/dbraw/zinc/68/15/69/1440681569.db2.gz VJHPCSNPTYRHSF-GHTZIAJQSA-N 2 1 343.515 3.062 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001754735671 1440682129 /nfs/dbraw/zinc/68/21/29/1440682129.db2.gz IBFVHPDPPQTACG-YLJYHZDGSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]([NH2+]CCC1CC1)[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001754796750 1440689654 /nfs/dbraw/zinc/68/96/54/1440689654.db2.gz GDGCQDLVHNGTPT-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC(C)(C)C ZINC001754867835 1440703554 /nfs/dbraw/zinc/70/35/54/1440703554.db2.gz LJPMWQKNOCXJDS-ZWKOTPCHSA-N 2 1 346.519 3.083 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCC(C)(C)C ZINC001754867835 1440703555 /nfs/dbraw/zinc/70/35/55/1440703555.db2.gz LJPMWQKNOCXJDS-ZWKOTPCHSA-N 2 1 346.519 3.083 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001754867887 1440703738 /nfs/dbraw/zinc/70/37/38/1440703738.db2.gz HKELHKCNUGUGJM-JNVNVXKGSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001754867887 1440703739 /nfs/dbraw/zinc/70/37/39/1440703739.db2.gz HKELHKCNUGUGJM-JNVNVXKGSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001754867887 1440703740 /nfs/dbraw/zinc/70/37/40/1440703740.db2.gz HKELHKCNUGUGJM-JNVNVXKGSA-N 2 1 335.536 3.140 20 0 EGADMP CCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001754952112 1440715200 /nfs/dbraw/zinc/71/52/00/1440715200.db2.gz RKQPWQXXHWLINV-FHWLQOOXSA-N 2 1 337.552 3.314 20 0 EGADMP CCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001754960515 1440717377 /nfs/dbraw/zinc/71/73/77/1440717377.db2.gz MUQZTMYGRRDYGO-IBGZPJMESA-N 2 1 349.563 3.223 20 0 EGADMP CC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001754961694 1440717845 /nfs/dbraw/zinc/71/78/45/1440717845.db2.gz CRJMQGDXCYDWCO-UEKDZROGSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CCCC(C)(C)C)CC2)CC[N@H+]1C ZINC001755024433 1440728118 /nfs/dbraw/zinc/72/81/18/1440728118.db2.gz YLVANBSLZWJVKI-KZNAEPCWSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](CCCC(C)(C)C)CC2)CC[NH+]1C ZINC001755024433 1440728119 /nfs/dbraw/zinc/72/81/19/1440728119.db2.gz YLVANBSLZWJVKI-KZNAEPCWSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCCC(C)(C)C)CC2)CC[NH+]1C ZINC001755024433 1440728120 /nfs/dbraw/zinc/72/81/20/1440728120.db2.gz YLVANBSLZWJVKI-KZNAEPCWSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001755024679 1440728245 /nfs/dbraw/zinc/72/82/45/1440728245.db2.gz GILPZKBVAUONQF-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001755024679 1440728246 /nfs/dbraw/zinc/72/82/46/1440728246.db2.gz GILPZKBVAUONQF-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001755024679 1440728247 /nfs/dbraw/zinc/72/82/47/1440728247.db2.gz GILPZKBVAUONQF-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001755031090 1440731444 /nfs/dbraw/zinc/73/14/44/1440731444.db2.gz MQNVQYQWFLLCIT-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001755031303 1440731738 /nfs/dbraw/zinc/73/17/38/1440731738.db2.gz OOACDUVOPXBSJL-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2)CC1 ZINC001755031303 1440731739 /nfs/dbraw/zinc/73/17/39/1440731739.db2.gz OOACDUVOPXBSJL-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2ccccc2)CC1 ZINC001755031303 1440731740 /nfs/dbraw/zinc/73/17/40/1440731740.db2.gz OOACDUVOPXBSJL-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP CCC1([NH2+]C/C=C\Cl)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001755072928 1440747257 /nfs/dbraw/zinc/74/72/57/1440747257.db2.gz ZBUWMWWOHSEXFZ-YFHOEESVSA-N 2 1 343.943 3.078 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCc1ccc2c(c1)C[NH+](CC1CCCC1)C2 ZINC001755101582 1440752772 /nfs/dbraw/zinc/75/27/72/1440752772.db2.gz QMVDOEHHAOJLJV-UHFFFAOYSA-N 2 1 343.515 3.150 20 0 EGADMP CCC[NH+](C)CC(=O)NCc1ccc2c(c1)C[N@@H+](CC1CCCC1)C2 ZINC001755101582 1440752773 /nfs/dbraw/zinc/75/27/73/1440752773.db2.gz QMVDOEHHAOJLJV-UHFFFAOYSA-N 2 1 343.515 3.150 20 0 EGADMP CCC[NH+](C)CC(=O)NCc1ccc2c(c1)C[N@H+](CC1CCCC1)C2 ZINC001755101582 1440752774 /nfs/dbraw/zinc/75/27/74/1440752774.db2.gz QMVDOEHHAOJLJV-UHFFFAOYSA-N 2 1 343.515 3.150 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1CCC(C)(C)C ZINC001755163238 1440765849 /nfs/dbraw/zinc/76/58/49/1440765849.db2.gz FPJLHNQDJAHSCX-DLBZAZTESA-N 2 1 339.568 3.370 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1CCC(C)(C)C ZINC001755163238 1440765850 /nfs/dbraw/zinc/76/58/50/1440765850.db2.gz FPJLHNQDJAHSCX-DLBZAZTESA-N 2 1 339.568 3.370 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1CCC(C)(C)C ZINC001755163238 1440765851 /nfs/dbraw/zinc/76/58/51/1440765851.db2.gz FPJLHNQDJAHSCX-DLBZAZTESA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)[C@@H](C)C1 ZINC001755165145 1440766732 /nfs/dbraw/zinc/76/67/32/1440766732.db2.gz GCWNFDPLERAQQN-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)[C@@H](C)C1 ZINC001755165145 1440766733 /nfs/dbraw/zinc/76/67/33/1440766733.db2.gz GCWNFDPLERAQQN-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)[C@@H](C)C1 ZINC001755165145 1440766734 /nfs/dbraw/zinc/76/67/34/1440766734.db2.gz GCWNFDPLERAQQN-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[N@@H+](C)CCC2=CCCCC2)CC1 ZINC001755198284 1440778335 /nfs/dbraw/zinc/77/83/35/1440778335.db2.gz XGLOFZXWCQRZOT-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)[C@@H](C)c1ccccc1C ZINC001755200350 1440779359 /nfs/dbraw/zinc/77/93/59/1440779359.db2.gz GNEQYCSZMBYMOR-RBUKOAKNSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)[C@@H](C)c1ccccc1C ZINC001755200350 1440779360 /nfs/dbraw/zinc/77/93/60/1440779360.db2.gz GNEQYCSZMBYMOR-RBUKOAKNSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@@H](C)c1ccccc1C ZINC001755200350 1440779361 /nfs/dbraw/zinc/77/93/61/1440779361.db2.gz GNEQYCSZMBYMOR-RBUKOAKNSA-N 2 1 345.531 3.321 20 0 EGADMP CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001755204655 1440781800 /nfs/dbraw/zinc/78/18/00/1440781800.db2.gz MBZXZHFLKQPNNI-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1cccc(C)c1C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001755254896 1440792888 /nfs/dbraw/zinc/79/28/88/1440792888.db2.gz AHAKRZYIOXFHKA-MSOLQXFVSA-N 2 1 347.547 3.264 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC001755264279 1440795610 /nfs/dbraw/zinc/79/56/10/1440795610.db2.gz TWCWYIDWOXANBV-LSDHHAIUSA-N 2 1 347.528 3.226 20 0 EGADMP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCC1=CCCCC1 ZINC001755342990 1440825904 /nfs/dbraw/zinc/82/59/04/1440825904.db2.gz ONSLDHVOXJOJCW-UXHICEINSA-N 2 1 349.563 3.291 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC1(C[NH2+]CCC2CCCC2)CCCCC1 ZINC001755355612 1440829347 /nfs/dbraw/zinc/82/93/47/1440829347.db2.gz MSPWGZHMUXDAHX-UHFFFAOYSA-N 2 1 346.519 3.181 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1C[N@@H+](CCC2CC2)CC1(C)C)[NH+]1CCCCC1 ZINC001755416562 1440849267 /nfs/dbraw/zinc/84/92/67/1440849267.db2.gz UTJQBRUYYNXFQG-OALUTQOASA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[C@@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC1CCCCC1 ZINC001755552713 1440872623 /nfs/dbraw/zinc/87/26/23/1440872623.db2.gz XUOHCPUSJAWJBD-RTBURBONSA-N 2 1 337.552 3.029 20 0 EGADMP CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001755563569 1440875078 /nfs/dbraw/zinc/87/50/78/1440875078.db2.gz BLELGNMSNACIEW-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CCc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2CC)c1 ZINC001755619067 1440890004 /nfs/dbraw/zinc/89/00/04/1440890004.db2.gz TXJYLPNHUXJCEO-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001755685933 1440895961 /nfs/dbraw/zinc/89/59/61/1440895961.db2.gz CWWWTLZRIJVCCA-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001755700013 1440899490 /nfs/dbraw/zinc/89/94/90/1440899490.db2.gz FLRNEVCFBKZGFR-QUCCMNQESA-N 2 1 335.536 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001755703515 1440901413 /nfs/dbraw/zinc/90/14/13/1440901413.db2.gz YKERFBGOFPKUCG-AZUAARDMSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C3CCC3)CCC[C@H]12 ZINC001755703515 1440901414 /nfs/dbraw/zinc/90/14/14/1440901414.db2.gz YKERFBGOFPKUCG-AZUAARDMSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@H]12 ZINC001755703515 1440901415 /nfs/dbraw/zinc/90/14/15/1440901415.db2.gz YKERFBGOFPKUCG-AZUAARDMSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001755717832 1440905924 /nfs/dbraw/zinc/90/59/24/1440905924.db2.gz JPIZYCPILHQGDS-MOPGFXCFSA-N 2 1 349.563 3.412 20 0 EGADMP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC001755724868 1440908982 /nfs/dbraw/zinc/90/89/82/1440908982.db2.gz YVOUPKHNUQORNT-VDZMMWBESA-N 2 1 346.519 3.332 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC001755724868 1440908983 /nfs/dbraw/zinc/90/89/83/1440908983.db2.gz YVOUPKHNUQORNT-VDZMMWBESA-N 2 1 346.519 3.332 20 0 EGADMP Cc1cccc(C)c1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001755749609 1440913021 /nfs/dbraw/zinc/91/30/21/1440913021.db2.gz LPXUNBCXDCWTRP-MOPGFXCFSA-N 2 1 345.531 3.018 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(CC[N@H+](C)[C@@H](C)c1ccccc1)C(C)C ZINC001755812415 1440920964 /nfs/dbraw/zinc/92/09/64/1440920964.db2.gz PIQXPKAZGFHCPN-SFHVURJKSA-N 2 1 342.487 3.122 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(CC[N@@H+](C)[C@@H](C)c1ccccc1)C(C)C ZINC001755812415 1440920965 /nfs/dbraw/zinc/92/09/65/1440920965.db2.gz PIQXPKAZGFHCPN-SFHVURJKSA-N 2 1 342.487 3.122 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H](C[NH2+]CCCC2CCC2)C(C)(C)C)C1 ZINC001755832580 1440929099 /nfs/dbraw/zinc/92/90/99/1440929099.db2.gz PZJKCWIRPKAYCD-FUHWJXTLSA-N 2 1 337.552 3.029 20 0 EGADMP CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001755846689 1440933499 /nfs/dbraw/zinc/93/34/99/1440933499.db2.gz KCPAUSPQASYQTF-KQPGTDLCSA-N 2 1 349.563 3.432 20 0 EGADMP CC/C=C\CC[NH+]1CCC(C2(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001755868806 1440938411 /nfs/dbraw/zinc/93/84/11/1440938411.db2.gz HYBDDABEVFJSMY-PYTPGESOSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C/CC[NH+]1CCC(C2(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001755868808 1440938443 /nfs/dbraw/zinc/93/84/43/1440938443.db2.gz HYBDDABEVFJSMY-WRFKIARRSA-N 2 1 347.547 3.045 20 0 EGADMP Cc1[nH+]c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc2[nH]ccc21 ZINC001164727634 720424471 /nfs/dbraw/zinc/42/44/71/720424471.db2.gz DTHZDVMKXBQQKD-RBUKOAKNSA-N 2 1 333.439 3.120 20 0 EGADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178700922 529595219 /nfs/dbraw/zinc/59/52/19/529595219.db2.gz KJDLBVDOKONFSE-HZPDHXFCSA-N 2 1 342.487 3.397 20 0 EGADMP CCc1cnc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)s1 ZINC000130480725 529653954 /nfs/dbraw/zinc/65/39/54/529653954.db2.gz UNZYSMJGFWAHEF-CQSZACIVSA-N 2 1 333.501 3.497 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C1c2ccccc2-c2ccccc21 ZINC000174725568 529887473 /nfs/dbraw/zinc/88/74/73/529887473.db2.gz BDZPHUJRLRJEEE-UHFFFAOYSA-N 2 1 335.495 3.326 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000165881619 530001442 /nfs/dbraw/zinc/00/14/42/530001442.db2.gz PPHJCBPKHNZUQN-GOSISDBHSA-N 2 1 343.515 3.067 20 0 EGADMP Cc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)s1 ZINC000178375796 232150028 /nfs/dbraw/zinc/15/00/28/232150028.db2.gz MSNQVXOBTOBCAR-AWEZNQCLSA-N 2 1 345.512 3.443 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179632778 233253929 /nfs/dbraw/zinc/25/39/29/233253929.db2.gz XKPRNZFQMRANSW-HXUWFJFHSA-N 2 1 340.515 3.240 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179632778 233253939 /nfs/dbraw/zinc/25/39/39/233253939.db2.gz XKPRNZFQMRANSW-HXUWFJFHSA-N 2 1 340.515 3.240 20 0 EGADMP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCCO2 ZINC000132828070 283005406 /nfs/dbraw/zinc/00/54/06/283005406.db2.gz YTWOJSKXTQVDLT-HNAYVOBHSA-N 2 1 348.462 3.130 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000186981343 236084911 /nfs/dbraw/zinc/08/49/11/236084911.db2.gz YGNLHWXUDJLYBI-INIZCTEOSA-N 2 1 325.456 3.141 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000186981343 236084912 /nfs/dbraw/zinc/08/49/12/236084912.db2.gz YGNLHWXUDJLYBI-INIZCTEOSA-N 2 1 325.456 3.141 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000132239038 223312689 /nfs/dbraw/zinc/31/26/89/223312689.db2.gz KUKMVYCYKNKYEG-NWDGAFQWSA-N 2 1 334.261 3.166 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000132239038 223312692 /nfs/dbraw/zinc/31/26/92/223312692.db2.gz KUKMVYCYKNKYEG-NWDGAFQWSA-N 2 1 334.261 3.166 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000193970009 240382598 /nfs/dbraw/zinc/38/25/98/240382598.db2.gz DSTBYTDLJGTIQZ-NJDAHSKKSA-N 2 1 340.511 3.241 20 0 EGADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000376320909 242064003 /nfs/dbraw/zinc/06/40/03/242064003.db2.gz XFSGQUITUPABOP-MXASKKJJSA-N 2 1 344.421 3.188 20 0 EGADMP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000262608987 245063251 /nfs/dbraw/zinc/06/32/51/245063251.db2.gz BKPBGFBVMOOKPK-NSHGMRRFSA-N 2 1 343.515 3.108 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC000343752597 284367131 /nfs/dbraw/zinc/36/71/31/284367131.db2.gz IHNCRKXGIWDASC-GOSISDBHSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1ccccc1 ZINC000343801431 284371315 /nfs/dbraw/zinc/37/13/15/284371315.db2.gz IWQLOWUBBPLQBB-LMNJBCLMSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000377633579 169052524 /nfs/dbraw/zinc/05/25/24/169052524.db2.gz VKRLCCUDPBAKNS-SUMDDJOVSA-N 2 1 331.504 3.003 20 0 EGADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000378632935 169150444 /nfs/dbraw/zinc/15/04/44/169150444.db2.gz NKOVIQJGGPPAJC-XWPNQZOQSA-N 2 1 334.479 3.330 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCOc2ccccc2)[C@@H](C)C1 ZINC000268709360 252159502 /nfs/dbraw/zinc/15/95/02/252159502.db2.gz CVVKAYHIPCQWNK-ICSRJNTNSA-N 2 1 334.504 3.182 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)[C@@H](C)C1 ZINC000268861275 252310309 /nfs/dbraw/zinc/31/03/09/252310309.db2.gz ZBZOXLIURKENGI-ZFWWWQNUSA-N 2 1 344.425 3.222 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841825 221195268 /nfs/dbraw/zinc/19/52/68/221195268.db2.gz BGYDKRHABWQJJK-OAHLLOKOSA-N 2 1 335.517 3.011 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841825 221195270 /nfs/dbraw/zinc/19/52/70/221195270.db2.gz BGYDKRHABWQJJK-OAHLLOKOSA-N 2 1 335.517 3.011 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841825 221195272 /nfs/dbraw/zinc/19/52/72/221195272.db2.gz BGYDKRHABWQJJK-OAHLLOKOSA-N 2 1 335.517 3.011 20 0 EGADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000119242018 221274132 /nfs/dbraw/zinc/27/41/32/221274132.db2.gz XFQUENOOKPCPHV-IBGZPJMESA-N 2 1 334.479 3.380 20 0 EGADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246944862 141044993 /nfs/dbraw/zinc/04/49/93/141044993.db2.gz UHVXJIRUWDRIER-IHEQNBGGSA-N 2 1 347.547 3.113 20 0 EGADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246944862 141044995 /nfs/dbraw/zinc/04/49/95/141044995.db2.gz UHVXJIRUWDRIER-IHEQNBGGSA-N 2 1 347.547 3.113 20 0 EGADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246944862 141044997 /nfs/dbraw/zinc/04/49/97/141044997.db2.gz UHVXJIRUWDRIER-IHEQNBGGSA-N 2 1 347.547 3.113 20 0 EGADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246944862 141045001 /nfs/dbraw/zinc/04/50/01/141045001.db2.gz UHVXJIRUWDRIER-IHEQNBGGSA-N 2 1 347.547 3.113 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cncs1 ZINC000268872171 141059485 /nfs/dbraw/zinc/05/94/85/141059485.db2.gz VOZGTKNDRZKUDX-HUUCEWRRSA-N 2 1 331.485 3.215 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cncs1 ZINC000268872171 141059487 /nfs/dbraw/zinc/05/94/87/141059487.db2.gz VOZGTKNDRZKUDX-HUUCEWRRSA-N 2 1 331.485 3.215 20 0 EGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cncs1 ZINC000268830991 141059894 /nfs/dbraw/zinc/05/98/94/141059894.db2.gz QUJFGHYSHAKQRG-AEFFLSMTSA-N 2 1 344.528 3.173 20 0 EGADMP C[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338070039 141087367 /nfs/dbraw/zinc/08/73/67/141087367.db2.gz UUAXQLUFFITXIW-IXDOHACOSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cc[nH]c(=O)c1 ZINC000339455312 141114929 /nfs/dbraw/zinc/11/49/29/141114929.db2.gz OEWUWXXBYAIGHN-JTDSTZFVSA-N 2 1 325.456 3.491 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cc[nH]c(=O)c1 ZINC000339455312 141114932 /nfs/dbraw/zinc/11/49/32/141114932.db2.gz OEWUWXXBYAIGHN-JTDSTZFVSA-N 2 1 325.456 3.491 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(Cc3cscc3Br)CC[C@H]21 ZINC000347912152 141215526 /nfs/dbraw/zinc/21/55/26/141215526.db2.gz MDQZQYFLUJJLJF-BXUZGUMPSA-N 2 1 329.307 3.427 20 0 EGADMP CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000347912197 141215584 /nfs/dbraw/zinc/21/55/84/141215584.db2.gz TVPCOXCJIZCDAI-FQEVSTJZSA-N 2 1 345.531 3.089 20 0 EGADMP Cc1nc2ccccn2c1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934424 141220377 /nfs/dbraw/zinc/22/03/77/141220377.db2.gz OEPKXXZKDSFHND-WBVHZDCISA-N 2 1 326.488 3.385 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@H](C)[C@@H]2C)cc1)C(C)C ZINC000356848072 141353761 /nfs/dbraw/zinc/35/37/61/141353761.db2.gz KNBHSJDBJZPLFK-SJORKVTESA-N 2 1 331.504 3.082 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1)C(C)C ZINC000356848072 141353762 /nfs/dbraw/zinc/35/37/62/141353762.db2.gz KNBHSJDBJZPLFK-SJORKVTESA-N 2 1 331.504 3.082 20 0 EGADMP C[C@@H]1CCCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000187922268 144166555 /nfs/dbraw/zinc/16/65/55/144166555.db2.gz QTSHEQUJCJZRTI-GOSISDBHSA-N 2 1 343.515 3.021 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N(c3ccccc3)C3CCCCC3)C[C@@H]12 ZINC000351490130 144268429 /nfs/dbraw/zinc/26/84/29/144268429.db2.gz IFGWURLPWHRAGT-NSISKUIASA-N 2 1 341.499 3.021 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N(c3ccccc3)C3CCCCC3)C[C@@H]12 ZINC000351490130 144268431 /nfs/dbraw/zinc/26/84/31/144268431.db2.gz IFGWURLPWHRAGT-NSISKUIASA-N 2 1 341.499 3.021 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCOc3cccc(C(F)(F)F)c3)C[C@@H]12 ZINC000351495021 144269374 /nfs/dbraw/zinc/26/93/74/144269374.db2.gz OTAPXTSCQFRSEI-APHBMKBZSA-N 2 1 328.378 3.143 20 0 EGADMP CC1CC[NH+](CCCCNc2cc[nH+]cc2Br)CC1 ZINC000341534689 155340922 /nfs/dbraw/zinc/34/09/22/155340922.db2.gz RCPLRIKZGCXUND-UHFFFAOYSA-N 2 1 326.282 3.190 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCSCC1 ZINC000191831781 153223987 /nfs/dbraw/zinc/22/39/87/153223987.db2.gz WTLRVJLMMGJCKW-FXAWDEMLSA-N 2 1 348.556 3.399 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCSCC1 ZINC000191831781 153223992 /nfs/dbraw/zinc/22/39/92/153223992.db2.gz WTLRVJLMMGJCKW-FXAWDEMLSA-N 2 1 348.556 3.399 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+]CC3CCC4(CC3)OCCO4)CC2)cc1 ZINC000193160213 153280795 /nfs/dbraw/zinc/28/07/95/153280795.db2.gz PPWHCUPLMAVAFQ-UHFFFAOYSA-N 2 1 344.499 3.174 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(CO)c1 ZINC000305675833 154102459 /nfs/dbraw/zinc/10/24/59/154102459.db2.gz ZWYRRZASWURRCA-GHTZIAJQSA-N 2 1 338.495 3.394 20 0 EGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336693946 154208690 /nfs/dbraw/zinc/20/86/90/154208690.db2.gz IBZNBHLBTWEJPH-VQTJNVASSA-N 2 1 326.488 3.019 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000337296669 154267654 /nfs/dbraw/zinc/26/76/54/154267654.db2.gz OGUWMEBWULJOHY-UHFFFAOYSA-N 2 1 326.419 3.490 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)COC(C)C)CC2)cs1 ZINC000337347435 154297845 /nfs/dbraw/zinc/29/78/45/154297845.db2.gz XPSGIBAIJDTQTQ-OAHLLOKOSA-N 2 1 339.549 3.321 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)C[C@H]21 ZINC000346818044 156149872 /nfs/dbraw/zinc/14/98/72/156149872.db2.gz AILZHJNAUOFUKA-GZBFAFLISA-N 2 1 346.368 3.326 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3F)C[C@@H]21 ZINC000346821616 156152932 /nfs/dbraw/zinc/15/29/32/156152932.db2.gz IZLYCRMUTKPLFS-IMFGXOCKSA-N 2 1 325.431 3.447 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000349091588 156352474 /nfs/dbraw/zinc/35/24/74/156352474.db2.gz YNLRMNZVPXXDTA-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000349122580 156359570 /nfs/dbraw/zinc/35/95/70/156359570.db2.gz ZENPURMJMIMSKJ-SJORKVTESA-N 2 1 337.533 3.122 20 0 EGADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000365768204 157226341 /nfs/dbraw/zinc/22/63/41/157226341.db2.gz SAJKZZAMOBAXRW-WMLDXEAASA-N 2 1 336.395 3.346 20 0 EGADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000365768204 157226344 /nfs/dbraw/zinc/22/63/44/157226344.db2.gz SAJKZZAMOBAXRW-WMLDXEAASA-N 2 1 336.395 3.346 20 0 EGADMP CN(Cc1ccc(Cl)cc1F)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372557165 157355766 /nfs/dbraw/zinc/35/57/66/157355766.db2.gz ZEDWJCVDPKQLBF-QGZVFWFLSA-N 2 1 339.886 3.079 20 0 EGADMP C[N@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)CC1CC[NH+](C)CC1 ZINC000093791101 162028377 /nfs/dbraw/zinc/02/83/77/162028377.db2.gz ZAPHAYIYDZDVAR-HXUWFJFHSA-N 2 1 332.488 3.018 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCCC[NH+]2CC)cc1)C1CC1 ZINC000110993621 162141387 /nfs/dbraw/zinc/14/13/87/162141387.db2.gz OLKLADBBNZKDPY-HXUWFJFHSA-N 2 1 343.515 3.275 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC)cc1)C1CC1 ZINC000110993621 162141389 /nfs/dbraw/zinc/14/13/89/162141389.db2.gz OLKLADBBNZKDPY-HXUWFJFHSA-N 2 1 343.515 3.275 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC)cc1)C1CC1 ZINC000110993621 162141390 /nfs/dbraw/zinc/14/13/90/162141390.db2.gz OLKLADBBNZKDPY-HXUWFJFHSA-N 2 1 343.515 3.275 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cnn1C ZINC000248419418 163002957 /nfs/dbraw/zinc/00/29/57/163002957.db2.gz VBLQCBHXVSXCTI-DZLUEKEQSA-N 2 1 338.499 3.290 20 0 EGADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)o1 ZINC000248431981 163004142 /nfs/dbraw/zinc/00/41/42/163004142.db2.gz CJRGBLQSHBRNCX-APWZRJJASA-N 2 1 328.456 3.396 20 0 EGADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)o1 ZINC000248431981 163004143 /nfs/dbraw/zinc/00/41/43/163004143.db2.gz CJRGBLQSHBRNCX-APWZRJJASA-N 2 1 328.456 3.396 20 0 EGADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000337245613 163177770 /nfs/dbraw/zinc/17/77/70/163177770.db2.gz HHWUZQDQIZNQFK-OVHOFWQVSA-N 2 1 330.394 3.011 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000338565924 163275887 /nfs/dbraw/zinc/27/58/87/163275887.db2.gz CIKNGYPDONHZJW-UHFFFAOYSA-N 2 1 349.482 3.342 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C ZINC000338573609 163278131 /nfs/dbraw/zinc/27/81/31/163278131.db2.gz KALXKHOVARDKIH-XLIONFOSSA-N 2 1 343.515 3.227 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000354362493 166009768 /nfs/dbraw/zinc/00/97/68/166009768.db2.gz WTBJRZCMKVSHEB-WOJBJXKFSA-N 2 1 345.531 3.276 20 0 EGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000342078865 163779861 /nfs/dbraw/zinc/77/98/61/163779861.db2.gz RRUOYRQLIFYZHR-UHFFFAOYSA-N 2 1 347.459 3.257 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000344600949 164196931 /nfs/dbraw/zinc/19/69/31/164196931.db2.gz JCZOOXLMYUZFIE-AEFFLSMTSA-N 2 1 331.504 3.106 20 0 EGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000345663184 164237093 /nfs/dbraw/zinc/23/70/93/164237093.db2.gz YUTAPCKOFPJQDN-MHORFTMASA-N 2 1 345.531 3.493 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000348353774 164720902 /nfs/dbraw/zinc/72/09/02/164720902.db2.gz IOCHGBAAAXUPCA-XYPHTWIQSA-N 2 1 327.428 3.173 20 0 EGADMP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350948993 165086228 /nfs/dbraw/zinc/08/62/28/165086228.db2.gz JREQJIUIUIUOHE-GFCCVEGCSA-N 2 1 341.858 3.080 20 0 EGADMP COc1cccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000355225010 166139210 /nfs/dbraw/zinc/13/92/10/166139210.db2.gz RDNIBDMQLDTFAQ-PKOBYXMFSA-N 2 1 339.483 3.133 20 0 EGADMP CC[NH2+][C@H](C)CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000358926761 167008216 /nfs/dbraw/zinc/00/82/16/167008216.db2.gz CHHATOTWUNTHDV-QGZVFWFLSA-N 2 1 339.483 3.046 20 0 EGADMP CC[NH+](CC(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1)C1CC1 ZINC000359011305 167036589 /nfs/dbraw/zinc/03/65/89/167036589.db2.gz GVWQGSHFRYMMOR-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)C[N@H+](CC)C2CC2)CC1)CC(C)C ZINC000359011305 167036591 /nfs/dbraw/zinc/03/65/91/167036591.db2.gz GVWQGSHFRYMMOR-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)C[N@@H+](CC)C2CC2)CC1)CC(C)C ZINC000359011305 167036593 /nfs/dbraw/zinc/03/65/93/167036593.db2.gz GVWQGSHFRYMMOR-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000359120653 167073195 /nfs/dbraw/zinc/07/31/95/167073195.db2.gz YYNGYXQBJMWGQB-APWZRJJASA-N 2 1 325.456 3.233 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000359120653 167073196 /nfs/dbraw/zinc/07/31/96/167073196.db2.gz YYNGYXQBJMWGQB-APWZRJJASA-N 2 1 325.456 3.233 20 0 EGADMP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000359232273 167102313 /nfs/dbraw/zinc/10/23/13/167102313.db2.gz IVEPIKFKXYEQFY-KNQAVFIVSA-N 2 1 336.479 3.339 20 0 EGADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359315177 167123070 /nfs/dbraw/zinc/12/30/70/167123070.db2.gz VUYDUGKJAPGKMR-LZQZEXGQSA-N 2 1 335.451 3.151 20 0 EGADMP COc1cccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000359422450 167152556 /nfs/dbraw/zinc/15/25/56/167152556.db2.gz BMNLQWIGPCDZEP-KRWDZBQOSA-N 2 1 340.467 3.378 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC)C2)cc1)C1CC1 ZINC000359472252 167166286 /nfs/dbraw/zinc/16/62/86/167166286.db2.gz KPZSUDKQOVLGJE-GOSISDBHSA-N 2 1 343.515 3.085 20 0 EGADMP CC[NH+](C)C[C@H]1CCN(C(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)C1 ZINC000359472252 167166287 /nfs/dbraw/zinc/16/62/87/167166287.db2.gz KPZSUDKQOVLGJE-GOSISDBHSA-N 2 1 343.515 3.085 20 0 EGADMP CC[NH+](C)C[C@H]1CCN(C(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)C1 ZINC000359472252 167166289 /nfs/dbraw/zinc/16/62/89/167166289.db2.gz KPZSUDKQOVLGJE-GOSISDBHSA-N 2 1 343.515 3.085 20 0 EGADMP COC1CC[NH+](C2(C[NH2+]C3Cc4ccccc4C3)CCCC2)CC1 ZINC000360241372 167280343 /nfs/dbraw/zinc/28/03/43/167280343.db2.gz ZYPPTRMQDXZVHE-UHFFFAOYSA-N 2 1 328.500 3.167 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000361611554 167630090 /nfs/dbraw/zinc/63/00/90/167630090.db2.gz SOODPTZAVDRXEF-PKOBYXMFSA-N 2 1 343.515 3.237 20 0 EGADMP Cc1ccc([C@]2(C)CC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000367049223 168172336 /nfs/dbraw/zinc/17/23/36/168172336.db2.gz DAMUICRHGDMABK-JOCHJYFZSA-N 2 1 343.559 3.375 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261855862 287275970 /nfs/dbraw/zinc/27/59/70/287275970.db2.gz NWHHDADVVZXYSC-MSOLQXFVSA-N 2 1 343.515 3.067 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262492641 287276195 /nfs/dbraw/zinc/27/61/95/287276195.db2.gz ZRFZMJXREXVMJQ-KSZLIROESA-N 2 1 343.515 3.065 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000159047154 225136037 /nfs/dbraw/zinc/13/60/37/225136037.db2.gz LDNRKDYWSCYUGG-SUNYJGFJSA-N 2 1 330.476 3.104 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000159047154 225136040 /nfs/dbraw/zinc/13/60/40/225136040.db2.gz LDNRKDYWSCYUGG-SUNYJGFJSA-N 2 1 330.476 3.104 20 0 EGADMP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000168306622 226211550 /nfs/dbraw/zinc/21/15/50/226211550.db2.gz NJACCMGKFAERCV-CABCVRRESA-N 2 1 347.528 3.489 20 0 EGADMP CCOc1ccccc1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123409816 222272630 /nfs/dbraw/zinc/27/26/30/222272630.db2.gz XUPCOBOFQYGTPR-UHFFFAOYSA-N 2 1 347.503 3.078 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000218105423 266194067 /nfs/dbraw/zinc/19/40/67/266194067.db2.gz WOWQMSAEXOCRDA-FHERZECASA-N 2 1 327.513 3.142 20 0 EGADMP c1cc(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1OCC2 ZINC000269677878 266339090 /nfs/dbraw/zinc/33/90/90/266339090.db2.gz SMBQMVLPJSZBLV-QUCCMNQESA-N 2 1 326.484 3.113 20 0 EGADMP c1cc(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc2c1OCC2 ZINC000269677878 266339093 /nfs/dbraw/zinc/33/90/93/266339093.db2.gz SMBQMVLPJSZBLV-QUCCMNQESA-N 2 1 326.484 3.113 20 0 EGADMP c1cc(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc2c1OCC2 ZINC000269677878 266339100 /nfs/dbraw/zinc/33/91/00/266339100.db2.gz SMBQMVLPJSZBLV-QUCCMNQESA-N 2 1 326.484 3.113 20 0 EGADMP c1cc(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1OCC2 ZINC000269677881 266339952 /nfs/dbraw/zinc/33/99/52/266339952.db2.gz SMBQMVLPJSZBLV-UYAOXDASSA-N 2 1 326.484 3.113 20 0 EGADMP c1cc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc2c1OCC2 ZINC000269677881 266339954 /nfs/dbraw/zinc/33/99/54/266339954.db2.gz SMBQMVLPJSZBLV-UYAOXDASSA-N 2 1 326.484 3.113 20 0 EGADMP c1cc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc2c1OCC2 ZINC000269677881 266339959 /nfs/dbraw/zinc/33/99/59/266339959.db2.gz SMBQMVLPJSZBLV-UYAOXDASSA-N 2 1 326.484 3.113 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000273284397 267012325 /nfs/dbraw/zinc/01/23/25/267012325.db2.gz QZMPOWBRXAIHAU-QUCCMNQESA-N 2 1 330.516 3.488 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc2nsnc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273302687 267016530 /nfs/dbraw/zinc/01/65/30/267016530.db2.gz RPIAWQLRAPMZDJ-HIFRSBDPSA-N 2 1 330.501 3.434 20 0 EGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000274939611 267309363 /nfs/dbraw/zinc/30/93/63/267309363.db2.gz AYSQCSZOWMYEKG-ZWKOTPCHSA-N 2 1 340.870 3.337 20 0 EGADMP C[C@H](CCO)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000278485637 268024168 /nfs/dbraw/zinc/02/41/68/268024168.db2.gz BAMZWUSRXSLSIF-AYWYSENESA-N 2 1 330.516 3.285 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000265027233 274286393 /nfs/dbraw/zinc/28/63/93/274286393.db2.gz HVUQKOYTSFQFJK-UWVAXJGDSA-N 2 1 334.479 3.446 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000265027233 274286396 /nfs/dbraw/zinc/28/63/96/274286396.db2.gz HVUQKOYTSFQFJK-UWVAXJGDSA-N 2 1 334.479 3.446 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000265027233 274286400 /nfs/dbraw/zinc/28/64/00/274286400.db2.gz HVUQKOYTSFQFJK-UWVAXJGDSA-N 2 1 334.479 3.446 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000265027233 274286402 /nfs/dbraw/zinc/28/64/02/274286402.db2.gz HVUQKOYTSFQFJK-UWVAXJGDSA-N 2 1 334.479 3.446 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000104144531 275164004 /nfs/dbraw/zinc/16/40/04/275164004.db2.gz ACHMZFSPHCUJCO-LJQANCHMSA-N 2 1 331.504 3.017 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000104144531 275164005 /nfs/dbraw/zinc/16/40/05/275164005.db2.gz ACHMZFSPHCUJCO-LJQANCHMSA-N 2 1 331.504 3.017 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000104144531 275164006 /nfs/dbraw/zinc/16/40/06/275164006.db2.gz ACHMZFSPHCUJCO-LJQANCHMSA-N 2 1 331.504 3.017 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccccc2SC)CC1 ZINC000194849250 275228060 /nfs/dbraw/zinc/22/80/60/275228060.db2.gz NKILYEKBOCRCJW-QGZVFWFLSA-N 2 1 335.561 3.477 20 0 EGADMP COc1ccc(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1O ZINC000245552563 275232605 /nfs/dbraw/zinc/23/26/05/275232605.db2.gz DBAOVMWBWKTHDH-WMZOPIPTSA-N 2 1 332.488 3.487 20 0 EGADMP Cc1c([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cnn1-c1ccc(F)cc1 ZINC000271898674 275239653 /nfs/dbraw/zinc/23/96/53/275239653.db2.gz VAOQVZUWSWYFSM-AWEZNQCLSA-N 2 1 328.435 3.232 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000271919926 275241625 /nfs/dbraw/zinc/24/16/25/275241625.db2.gz ZWDQNPJROPHGCV-MRXNPFEDSA-N 2 1 339.252 3.427 20 0 EGADMP c1[nH]nc2cc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)ccc12 ZINC000279402509 275328321 /nfs/dbraw/zinc/32/83/21/275328321.db2.gz LCNDVIHHMDDPPG-UHFFFAOYSA-N 2 1 335.455 3.475 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000279928175 275377089 /nfs/dbraw/zinc/37/70/89/275377089.db2.gz MYUSDNABFWJMHQ-OWCLPIDISA-N 2 1 332.488 3.270 20 0 EGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000279928168 275377159 /nfs/dbraw/zinc/37/71/59/275377159.db2.gz MYUSDNABFWJMHQ-OAGGEKHMSA-N 2 1 332.488 3.270 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000286866691 276051736 /nfs/dbraw/zinc/05/17/36/276051736.db2.gz BNALISFYXXGUNB-NYVOZVTQSA-N 2 1 338.495 3.090 20 0 EGADMP COCCc1cc[nH+]c(N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000287618627 276140441 /nfs/dbraw/zinc/14/04/41/276140441.db2.gz SUFLTVGNBAYSGD-INIZCTEOSA-N 2 1 343.471 3.384 20 0 EGADMP O[C@H](Cc1cccc(Cl)c1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000287765637 276155294 /nfs/dbraw/zinc/15/52/94/276155294.db2.gz MODMBGDLVJHYAU-NSISKUIASA-N 2 1 348.918 3.192 20 0 EGADMP O[C@H](Cc1cccc(Cl)c1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000287765637 276155295 /nfs/dbraw/zinc/15/52/95/276155295.db2.gz MODMBGDLVJHYAU-NSISKUIASA-N 2 1 348.918 3.192 20 0 EGADMP O[C@H](Cc1cccc(Cl)c1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000287765637 276155297 /nfs/dbraw/zinc/15/52/97/276155297.db2.gz MODMBGDLVJHYAU-NSISKUIASA-N 2 1 348.918 3.192 20 0 EGADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000367816332 276275287 /nfs/dbraw/zinc/27/52/87/276275287.db2.gz SPHXPDSXENYDTG-FUHWJXTLSA-N 2 1 336.520 3.305 20 0 EGADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000367816332 276275288 /nfs/dbraw/zinc/27/52/88/276275288.db2.gz SPHXPDSXENYDTG-FUHWJXTLSA-N 2 1 336.520 3.305 20 0 EGADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000367816332 276275291 /nfs/dbraw/zinc/27/52/91/276275291.db2.gz SPHXPDSXENYDTG-FUHWJXTLSA-N 2 1 336.520 3.305 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000289291584 276317055 /nfs/dbraw/zinc/31/70/55/276317055.db2.gz AAUURKHSCASIHF-IPYPFGDCSA-N 2 1 344.421 3.242 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000289291584 276317056 /nfs/dbraw/zinc/31/70/56/276317056.db2.gz AAUURKHSCASIHF-IPYPFGDCSA-N 2 1 344.421 3.242 20 0 EGADMP Cc1nnc(CC[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)s1 ZINC000289449362 276340647 /nfs/dbraw/zinc/34/06/47/276340647.db2.gz BLCVTKSQBYKEHT-UHFFFAOYSA-N 2 1 332.517 3.137 20 0 EGADMP COCCC(C)(C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000291097514 276588634 /nfs/dbraw/zinc/58/86/34/276588634.db2.gz ITACMTFJHGGHJY-UHFFFAOYSA-N 2 1 336.495 3.485 20 0 EGADMP COc1ccc([C@H](O)C2CC[NH+](CCCn3cc[nH+]c3C)CC2)cc1 ZINC000291950630 276712043 /nfs/dbraw/zinc/71/20/43/276712043.db2.gz UNWFWNXTPULTIB-FQEVSTJZSA-N 2 1 343.471 3.036 20 0 EGADMP C[NH+]1CCC([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000237169560 277030884 /nfs/dbraw/zinc/03/08/84/277030884.db2.gz TZTIHRHUHLNYQL-UHFFFAOYSA-N 2 1 338.377 3.075 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000123183948 277051627 /nfs/dbraw/zinc/05/16/27/277051627.db2.gz GGRNJTSLFORRDA-WOJBJXKFSA-N 2 1 329.532 3.186 20 0 EGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)[C@]1(C)CCCO1)c1ccccc1 ZINC000340476988 277213929 /nfs/dbraw/zinc/21/39/29/277213929.db2.gz DFWVMHQPSDWWHL-IHPCNDPISA-N 2 1 334.504 3.243 20 0 EGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)[C@]1(C)CCCO1)c1ccccc1 ZINC000340476988 277213930 /nfs/dbraw/zinc/21/39/30/277213930.db2.gz DFWVMHQPSDWWHL-IHPCNDPISA-N 2 1 334.504 3.243 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000347074801 277275753 /nfs/dbraw/zinc/27/57/53/277275753.db2.gz UCXADOPLPQLOTE-KRWDZBQOSA-N 2 1 326.488 3.427 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000347074801 277275756 /nfs/dbraw/zinc/27/57/56/277275756.db2.gz UCXADOPLPQLOTE-KRWDZBQOSA-N 2 1 326.488 3.427 20 0 EGADMP CO[C@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000370705835 277337151 /nfs/dbraw/zinc/33/71/51/277337151.db2.gz JORSLNOJPOGJCM-FQEVSTJZSA-N 2 1 345.531 3.218 20 0 EGADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000342756210 278395838 /nfs/dbraw/zinc/39/58/38/278395838.db2.gz SSPVPOQQMHZRPQ-KUHUBIRLSA-N 2 1 336.907 3.352 20 0 EGADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179232 281210015 /nfs/dbraw/zinc/21/00/15/281210015.db2.gz RGNFMXQTSUQCCX-SFHVURJKSA-N 2 1 343.515 3.438 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000061794735 307353198 /nfs/dbraw/zinc/35/31/98/307353198.db2.gz XABOROVUBAQVQC-UHFFFAOYSA-N 2 1 348.535 3.056 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000414055372 309058039 /nfs/dbraw/zinc/05/80/39/309058039.db2.gz COBVJJKOWSJOKJ-KRWDZBQOSA-N 2 1 339.483 3.059 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cn1 ZINC000414055372 309058040 /nfs/dbraw/zinc/05/80/40/309058040.db2.gz COBVJJKOWSJOKJ-KRWDZBQOSA-N 2 1 339.483 3.059 20 0 EGADMP COC(=O)c1cnc([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)s1 ZINC000414060515 309058390 /nfs/dbraw/zinc/05/83/90/309058390.db2.gz AUMXCCIWIDGJGD-CQSZACIVSA-N 2 1 339.505 3.092 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000414191385 309065911 /nfs/dbraw/zinc/06/59/11/309065911.db2.gz SLDMLVBHRKWWSE-GJZGRUSLSA-N 2 1 329.488 3.299 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414296250 309071161 /nfs/dbraw/zinc/07/11/61/309071161.db2.gz GSMWJLXDSWSXTO-INIZCTEOSA-N 2 1 330.451 3.141 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414296250 309071162 /nfs/dbraw/zinc/07/11/62/309071162.db2.gz GSMWJLXDSWSXTO-INIZCTEOSA-N 2 1 330.451 3.141 20 0 EGADMP COC1([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCC1 ZINC000414308466 309072036 /nfs/dbraw/zinc/07/20/36/309072036.db2.gz QHTIIYICFRUHGV-MTFMMBMASA-N 2 1 328.500 3.444 20 0 EGADMP CC(C)N(C(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000248579510 308006410 /nfs/dbraw/zinc/00/64/10/308006410.db2.gz OINDJCVBPSBNEQ-SQNIBIBYSA-N 2 1 337.552 3.263 20 0 EGADMP CC(C)N(C(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000248579510 308006412 /nfs/dbraw/zinc/00/64/12/308006412.db2.gz OINDJCVBPSBNEQ-SQNIBIBYSA-N 2 1 337.552 3.263 20 0 EGADMP C[NH2+]CCC[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414856505 309105905 /nfs/dbraw/zinc/10/59/05/309105905.db2.gz AQMBSKVIUCDONK-UHFFFAOYSA-N 2 1 331.847 3.291 20 0 EGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CCC4CCOCC4)C3)C2)cc1 ZINC000293426935 308129618 /nfs/dbraw/zinc/12/96/18/308129618.db2.gz TYKOPHKVSMBXJI-NRFANRHFSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CCC4CCOCC4)C3)C2)cc1 ZINC000293426935 308129620 /nfs/dbraw/zinc/12/96/20/308129620.db2.gz TYKOPHKVSMBXJI-NRFANRHFSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CCC4CCOCC4)C3)C2)cc1 ZINC000293426935 308129621 /nfs/dbraw/zinc/12/96/21/308129621.db2.gz TYKOPHKVSMBXJI-NRFANRHFSA-N 2 1 328.500 3.401 20 0 EGADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1OC ZINC000293704826 308154373 /nfs/dbraw/zinc/15/43/73/308154373.db2.gz MIPQXWABKPROQC-CABCVRRESA-N 2 1 338.879 3.116 20 0 EGADMP CO[C@@](C)([C@@H](C)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C1CC1 ZINC000414500233 309084844 /nfs/dbraw/zinc/08/48/44/309084844.db2.gz KZXSCDYTJMYXCM-ACJLOTCBSA-N 2 1 337.533 3.203 20 0 EGADMP CO[C@@](C)([C@@H](C)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C1CC1 ZINC000414500233 309084845 /nfs/dbraw/zinc/08/48/45/309084845.db2.gz KZXSCDYTJMYXCM-ACJLOTCBSA-N 2 1 337.533 3.203 20 0 EGADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000294692794 308246583 /nfs/dbraw/zinc/24/65/83/308246583.db2.gz ATOOISOERMZTLY-COSYGPSOSA-N 2 1 332.488 3.411 20 0 EGADMP C[C@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)c1cc(F)cc(F)c1 ZINC000295189010 308300692 /nfs/dbraw/zinc/30/06/92/308300692.db2.gz NTDNSZBYKMCATI-OAHLLOKOSA-N 2 1 338.442 3.303 20 0 EGADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000295200987 308302352 /nfs/dbraw/zinc/30/23/52/308302352.db2.gz PBINUYAAMGJKIS-HBFSDRIKSA-N 2 1 343.515 3.108 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414656838 309093988 /nfs/dbraw/zinc/09/39/88/309093988.db2.gz GHGXFZLFJYELIA-CVEARBPZSA-N 2 1 339.487 3.229 20 0 EGADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2CCC2CCCCC2)C1 ZINC000414716143 309097011 /nfs/dbraw/zinc/09/70/11/309097011.db2.gz ZJTNLISIPDONDF-RBUKOAKNSA-N 2 1 335.536 3.009 20 0 EGADMP C[N@H+](Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000414660849 309094197 /nfs/dbraw/zinc/09/41/97/309094197.db2.gz NSGMOCARXINCGF-INIZCTEOSA-N 2 1 340.895 3.315 20 0 EGADMP C[N@@H+](Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000414660849 309094198 /nfs/dbraw/zinc/09/41/98/309094198.db2.gz NSGMOCARXINCGF-INIZCTEOSA-N 2 1 340.895 3.315 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414682427 309095307 /nfs/dbraw/zinc/09/53/07/309095307.db2.gz REJZNOVXLXNDDY-SJLPKXTDSA-N 2 1 335.923 3.236 20 0 EGADMP COc1ccc(C[N@@H+](CC2CC2)C[C@@H]2CC[NH2+][C@@H](C)C2)c(OC)c1 ZINC000414758617 309099071 /nfs/dbraw/zinc/09/90/71/309099071.db2.gz VCTXFKUWHONGKP-DOTOQJQBSA-N 2 1 332.488 3.304 20 0 EGADMP C[C@@H]1C[C@@H](C[N@@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000414757601 309099085 /nfs/dbraw/zinc/09/90/85/309099085.db2.gz SUYIVOBMJWXALV-WBVHZDCISA-N 2 1 346.906 3.464 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)CC[NH2+]1 ZINC000414760111 309099154 /nfs/dbraw/zinc/09/91/54/309099154.db2.gz XUCXTRMLYGZYJT-XNJGSVPQSA-N 2 1 326.843 3.241 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)CC[NH2+]1 ZINC000414760111 309099155 /nfs/dbraw/zinc/09/91/55/309099155.db2.gz XUCXTRMLYGZYJT-XNJGSVPQSA-N 2 1 326.843 3.241 20 0 EGADMP CCCCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000414767634 309099538 /nfs/dbraw/zinc/09/95/38/309099538.db2.gz JXZYDQFTEBTQDD-HDICACEKSA-N 2 1 332.488 3.306 20 0 EGADMP c1ccc(COc2ccccc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc1 ZINC000414767635 309099586 /nfs/dbraw/zinc/09/95/86/309099586.db2.gz JYBRKYBLFWXPSQ-HDICACEKSA-N 2 1 337.467 3.092 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000414772814 309099884 /nfs/dbraw/zinc/09/98/84/309099884.db2.gz CNLOPFUTYYMMCU-KGLIPLIRSA-N 2 1 340.414 3.118 20 0 EGADMP FC(F)(F)Oc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414778924 309100431 /nfs/dbraw/zinc/10/04/31/309100431.db2.gz JPNMKCJSXSDYBX-GJZGRUSLSA-N 2 1 328.378 3.407 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(-c2cnn(C)c2)c1 ZINC000414777916 309100521 /nfs/dbraw/zinc/10/05/21/309100521.db2.gz IPRLGKWZGCQIEI-MSOLQXFVSA-N 2 1 338.499 3.217 20 0 EGADMP COc1cc(C[N@@H+](C)C2CC([NH3+])C2)c(-c2ccccc2)cc1OC ZINC000414781693 309100591 /nfs/dbraw/zinc/10/05/91/309100591.db2.gz WDEYMYXRKGBSDK-UHFFFAOYSA-N 2 1 326.440 3.292 20 0 EGADMP Brc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414783599 309100747 /nfs/dbraw/zinc/10/07/47/309100747.db2.gz QDJCQQJWDXVZMY-NEPJUHHUSA-N 2 1 329.307 3.332 20 0 EGADMP Clc1ccc(-n2cc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000414782704 309100753 /nfs/dbraw/zinc/10/07/53/309100753.db2.gz OREAKVMSTAWSCH-SJORKVTESA-N 2 1 344.890 3.347 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CC12CCOCC2 ZINC000414783230 309100780 /nfs/dbraw/zinc/10/07/80/309100780.db2.gz PRPUSNFNQBZGGD-HNNXBMFYSA-N 2 1 345.874 3.076 20 0 EGADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1C(F)(F)F ZINC000414782797 309100865 /nfs/dbraw/zinc/10/08/65/309100865.db2.gz OWGMHFMHWXKAPU-OAHLLOKOSA-N 2 1 342.405 3.201 20 0 EGADMP Fc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414788927 309101293 /nfs/dbraw/zinc/10/12/93/309101293.db2.gz XNAVEFOMFSWTMU-ZIAGYGMSSA-N 2 1 328.378 3.249 20 0 EGADMP COc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OCc1cccs1 ZINC000414789053 309101427 /nfs/dbraw/zinc/10/14/27/309101427.db2.gz NOVCRLWXFDHGLV-UHFFFAOYSA-N 2 1 332.469 3.177 20 0 EGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000414807525 309102750 /nfs/dbraw/zinc/10/27/50/309102750.db2.gz RDJYIGAAGPFJHB-YOEHRIQHSA-N 2 1 331.485 3.329 20 0 EGADMP [NH3+]C1(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)CCCCC1 ZINC000414833879 309104381 /nfs/dbraw/zinc/10/43/81/309104381.db2.gz BIJNFBXFLKHNJS-UHFFFAOYSA-N 2 1 325.456 3.412 20 0 EGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414834654 309104643 /nfs/dbraw/zinc/10/46/43/309104643.db2.gz GUGHPVZVDZBWMN-GDBMZVCRSA-N 2 1 339.911 3.040 20 0 EGADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000414834777 309104677 /nfs/dbraw/zinc/10/46/77/309104677.db2.gz HROAUKPULGIGFP-MRXNPFEDSA-N 2 1 328.504 3.174 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(Nc2nc(N(C)C)cc[nH+]2)CC1 ZINC000301716704 308712328 /nfs/dbraw/zinc/71/23/28/308712328.db2.gz HEFDCUGHWRXWFN-OAHLLOKOSA-N 2 1 325.460 3.180 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@]3(C)CCCO3)CC2)oc1C ZINC000331579973 308811050 /nfs/dbraw/zinc/81/10/50/308811050.db2.gz RZXOHOLZRQBAAW-APWZRJJASA-N 2 1 335.492 3.051 20 0 EGADMP Cc1ccc(O)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000333243112 308854313 /nfs/dbraw/zinc/85/43/13/308854313.db2.gz ITXIYRSMEIHALB-UHFFFAOYSA-N 2 1 326.444 3.008 20 0 EGADMP CC(C)[N@H+]1CCc2nc(CNCC3([NH3+])CCCCCC3)sc2C1 ZINC000414861974 309106106 /nfs/dbraw/zinc/10/61/06/309106106.db2.gz UGSCKLXMABLAJX-UHFFFAOYSA-N 2 1 336.549 3.051 20 0 EGADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(Oc2cc(OC)cc(OC)c2)cc1 ZINC000414973105 309112386 /nfs/dbraw/zinc/11/23/86/309112386.db2.gz BSAZJALCRABDBQ-OAHLLOKOSA-N 2 1 330.428 3.323 20 0 EGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415072610 309118309 /nfs/dbraw/zinc/11/83/09/309118309.db2.gz YEDLMVQNZMFJBC-WBMJQRKESA-N 2 1 325.294 3.487 20 0 EGADMP CC[C@H]([NH3+])C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414978982 309112681 /nfs/dbraw/zinc/11/26/81/309112681.db2.gz MZCFTUSJPLKBSD-FQEVSTJZSA-N 2 1 334.467 3.425 20 0 EGADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000414986629 309112853 /nfs/dbraw/zinc/11/28/53/309112853.db2.gz XXNNQCCPHWNHAX-KRWDZBQOSA-N 2 1 338.455 3.049 20 0 EGADMP [NH3+]C[C@H]1CC[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000415023978 309114952 /nfs/dbraw/zinc/11/49/52/309114952.db2.gz MIQDJFHYMSGWCX-WGSAOQKQSA-N 3 1 347.522 3.187 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)s2)cn1 ZINC000415032821 309115429 /nfs/dbraw/zinc/11/54/29/309115429.db2.gz AXEMTXOFJWUFBI-YOEHRIQHSA-N 2 1 330.501 3.113 20 0 EGADMP Fc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415038572 309115733 /nfs/dbraw/zinc/11/57/33/309115733.db2.gz HYYUGSHOJDLUCC-ZFWWWQNUSA-N 2 1 328.378 3.391 20 0 EGADMP Fc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415038572 309115734 /nfs/dbraw/zinc/11/57/34/309115734.db2.gz HYYUGSHOJDLUCC-ZFWWWQNUSA-N 2 1 328.378 3.391 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[NH2+]C1CC1 ZINC000415063595 309117760 /nfs/dbraw/zinc/11/77/60/309117760.db2.gz AMVFEPIEWJZNBS-UHFFFAOYSA-N 2 1 346.906 3.433 20 0 EGADMP C[C@@]1(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CC[NH2+]C1 ZINC000415074546 309118490 /nfs/dbraw/zinc/11/84/90/309118490.db2.gz CPCGQYFMFKSDAH-CQSZACIVSA-N 2 1 349.219 3.140 20 0 EGADMP CCOc1ccc(Oc2cc(C[NH2+]C[C@@H]3CCC[NH2+]C3)ccn2)cc1 ZINC000415117659 309121388 /nfs/dbraw/zinc/12/13/88/309121388.db2.gz VXBFDVYASWTJGX-QGZVFWFLSA-N 2 1 341.455 3.362 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000415973958 309152186 /nfs/dbraw/zinc/15/21/86/309152186.db2.gz PVUCWMJMYGZLPF-MRXNPFEDSA-N 2 1 332.492 3.182 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)cc1 ZINC000417376187 309203465 /nfs/dbraw/zinc/20/34/65/309203465.db2.gz BVMCLSAMGBXUHU-BBRMVZONSA-N 2 1 334.414 3.171 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)n(C)n1 ZINC000417883228 309226793 /nfs/dbraw/zinc/22/67/93/309226793.db2.gz VTTNRLKZARFNTF-INIZCTEOSA-N 2 1 326.488 3.250 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n(C)n1 ZINC000417883228 309226794 /nfs/dbraw/zinc/22/67/94/309226794.db2.gz VTTNRLKZARFNTF-INIZCTEOSA-N 2 1 326.488 3.250 20 0 EGADMP CCn1cncc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000417940617 309229074 /nfs/dbraw/zinc/22/90/74/309229074.db2.gz LXXPOCHYJDJSJQ-YRWFTTLQSA-N 2 1 326.488 3.149 20 0 EGADMP CCn1cncc1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000417940617 309229075 /nfs/dbraw/zinc/22/90/75/309229075.db2.gz LXXPOCHYJDJSJQ-YRWFTTLQSA-N 2 1 326.488 3.149 20 0 EGADMP Brc1ccc2[nH+]ccc(N3CC[C@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000420252767 309278123 /nfs/dbraw/zinc/27/81/23/309278123.db2.gz BUORJZAVZIQSGP-RYUDHWBXSA-N 2 1 332.245 3.043 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCSC3(CCCCC3)C2)cc1 ZINC000420296051 309280011 /nfs/dbraw/zinc/28/00/11/309280011.db2.gz CXQWXBDDSNMZKS-KRWDZBQOSA-N 2 1 334.529 3.489 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420297268 309280028 /nfs/dbraw/zinc/28/00/28/309280028.db2.gz YKTGBWSIZCMXQD-CHWSQXEVSA-N 2 1 332.469 3.247 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420297268 309280029 /nfs/dbraw/zinc/28/00/29/309280029.db2.gz YKTGBWSIZCMXQD-CHWSQXEVSA-N 2 1 332.469 3.247 20 0 EGADMP Clc1ccc(CN2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420296087 309280041 /nfs/dbraw/zinc/28/00/41/309280041.db2.gz DALDVEXHGPCXOY-QGZVFWFLSA-N 2 1 335.923 3.237 20 0 EGADMP COc1ccc(CCC[N@@H+](C)C[C@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC000420299477 309280171 /nfs/dbraw/zinc/28/01/71/309280171.db2.gz GQDWPHBGFKXIRC-IBGZPJMESA-N 2 1 342.483 3.311 20 0 EGADMP C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@H]1CC[NH2+]C1 ZINC000420303463 309280498 /nfs/dbraw/zinc/28/04/98/309280498.db2.gz KJTPMAODQYFQGU-OAHLLOKOSA-N 2 1 330.451 3.080 20 0 EGADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cc(Br)ccc1F ZINC000420310506 309281013 /nfs/dbraw/zinc/28/10/13/309281013.db2.gz VCPVJVVURMVBLP-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP c1cc(C[N@H+](CC[C@H]2CCC[NH2+]C2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000420313136 309281232 /nfs/dbraw/zinc/28/12/32/309281232.db2.gz PEBRZCBXNKKKHQ-AEFFLSMTSA-N 3 1 333.545 3.082 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2c2nccs2)cc1 ZINC000420311999 309281330 /nfs/dbraw/zinc/28/13/30/309281330.db2.gz HLSRNJLCBXDTHJ-NVXWUHKLSA-N 2 1 331.485 3.421 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCC[C@@H]2c2nccs2)cc1 ZINC000420311999 309281331 /nfs/dbraw/zinc/28/13/31/309281331.db2.gz HLSRNJLCBXDTHJ-NVXWUHKLSA-N 2 1 331.485 3.421 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000420311097 309281353 /nfs/dbraw/zinc/28/13/53/309281353.db2.gz MZUCRHLATFDJTR-AWEZNQCLSA-N 2 1 330.428 3.183 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000420311097 309281354 /nfs/dbraw/zinc/28/13/54/309281354.db2.gz MZUCRHLATFDJTR-AWEZNQCLSA-N 2 1 330.428 3.183 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cncc(OCc4ccccc4)c3)C[C@@H]21 ZINC000420317625 309281583 /nfs/dbraw/zinc/28/15/83/309281583.db2.gz ZRARFGUKRJHVSR-HLAWJBBLSA-N 2 1 337.467 3.220 20 0 EGADMP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000420320819 309282008 /nfs/dbraw/zinc/28/20/08/309282008.db2.gz BYXDHWYMZCHGTN-NWDGAFQWSA-N 2 1 333.423 3.292 20 0 EGADMP FC(F)(F)c1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420329665 309282716 /nfs/dbraw/zinc/28/27/16/309282716.db2.gz GZTURBZEFRJIJE-OKILXGFUSA-N 2 1 328.378 3.016 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336052 309282943 /nfs/dbraw/zinc/28/29/43/309282943.db2.gz IKGKSNXHUWDVJO-ARFHVFGLSA-N 2 1 349.906 3.297 20 0 EGADMP C[NH2+]CCCN1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000420365499 309284321 /nfs/dbraw/zinc/28/43/21/309284321.db2.gz SFQTYLOYDOXRTD-UHFFFAOYSA-N 2 1 343.437 3.211 20 0 EGADMP [NH3+]C[C@H]([NH2+]CCC(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1 ZINC000420368639 309284675 /nfs/dbraw/zinc/28/46/75/309284675.db2.gz NVRKKBDZYKDFLW-UXHICEINSA-N 2 1 343.515 3.068 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3ccc(Cl)cc3C2)cc1 ZINC000420378849 309285271 /nfs/dbraw/zinc/28/52/71/309285271.db2.gz UQVKGSFFQKMQRX-QGZVFWFLSA-N 2 1 330.859 3.449 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3ccc(Cl)cc3C2)cc1 ZINC000420378849 309285272 /nfs/dbraw/zinc/28/52/72/309285272.db2.gz UQVKGSFFQKMQRX-QGZVFWFLSA-N 2 1 330.859 3.449 20 0 EGADMP CC(C)(C)c1csc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)n1 ZINC000420394176 309286140 /nfs/dbraw/zinc/28/61/40/309286140.db2.gz RHLGGXCFPCBFQO-LSDHHAIUSA-N 2 1 337.533 3.159 20 0 EGADMP Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420933423 309302173 /nfs/dbraw/zinc/30/21/73/309302173.db2.gz IVWBZHHLQVIKJL-OAQYLSRUSA-N 2 1 339.483 3.194 20 0 EGADMP Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420933423 309302175 /nfs/dbraw/zinc/30/21/75/309302175.db2.gz IVWBZHHLQVIKJL-OAQYLSRUSA-N 2 1 339.483 3.194 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C)c(C)c3)CC2)CC1 ZINC000420980436 309305791 /nfs/dbraw/zinc/30/57/91/309305791.db2.gz LORVGQDJJYAJOC-UHFFFAOYSA-N 2 1 329.532 3.295 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCc3ccccc3Cl)CC2)CC1 ZINC000420985731 309306109 /nfs/dbraw/zinc/30/61/09/309306109.db2.gz WOWXPNJIOALJHU-UHFFFAOYSA-N 2 1 349.950 3.375 20 0 EGADMP COC1([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)CCCCC1 ZINC000421815499 309341186 /nfs/dbraw/zinc/34/11/86/309341186.db2.gz MUBVVPJUIPDGIA-SFHVURJKSA-N 2 1 346.515 3.346 20 0 EGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(SC)cc1OC ZINC000422560000 309361647 /nfs/dbraw/zinc/36/16/47/309361647.db2.gz FPZNAHLMMNKINE-NFAWXSAZSA-N 2 1 338.517 3.231 20 0 EGADMP COc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)co2)cc1 ZINC000422634120 309363036 /nfs/dbraw/zinc/36/30/36/309363036.db2.gz JCLIUPHHBXDKAK-YCPHGPKFSA-N 2 1 329.444 3.155 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)co2)cc1 ZINC000422634120 309363037 /nfs/dbraw/zinc/36/30/37/309363037.db2.gz JCLIUPHHBXDKAK-YCPHGPKFSA-N 2 1 329.444 3.155 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])ccc1OC(F)F ZINC000422696598 309363563 /nfs/dbraw/zinc/36/35/63/309363563.db2.gz RZMGSKNFKPQSRO-KGLIPLIRSA-N 2 1 328.403 3.436 20 0 EGADMP C[NH+](C)CCCOc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422708881 309364111 /nfs/dbraw/zinc/36/41/11/309364111.db2.gz CHTJLPUCOSBJQC-NJDAHSKKSA-N 2 1 345.531 3.027 20 0 EGADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000422726590 309365336 /nfs/dbraw/zinc/36/53/36/309365336.db2.gz FLRWSUOUUIYQJZ-RRQGHBQHSA-N 2 1 341.421 3.010 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422740505 309366136 /nfs/dbraw/zinc/36/61/36/309366136.db2.gz MWIWSECJONVTIS-UDKICSLYSA-N 2 1 337.511 3.370 20 0 EGADMP COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422761353 309367020 /nfs/dbraw/zinc/36/70/20/309367020.db2.gz HNQFQALFCBTRDL-YESZJQIVSA-N 2 1 348.487 3.113 20 0 EGADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCCCC[C@@H]3N)CC2)cc1 ZINC000422781670 309367915 /nfs/dbraw/zinc/36/79/15/309367915.db2.gz MEIQCSCDTDPAHI-LEWJYISDSA-N 2 1 345.531 3.157 20 0 EGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[N@@H+](C)Cc1ccccc1 ZINC000422783390 309368021 /nfs/dbraw/zinc/36/80/21/309368021.db2.gz KXXBEJOQYGCGPX-WIYYLYMNSA-N 2 1 325.500 3.057 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000422838770 309371223 /nfs/dbraw/zinc/37/12/23/309371223.db2.gz XZMKFZWJSCZMBS-YUXAGFNASA-N 2 1 337.511 3.199 20 0 EGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)CC1 ZINC000422841880 309371304 /nfs/dbraw/zinc/37/13/04/309371304.db2.gz XARKDQAGEKJLNL-NQIIRXRSSA-N 2 1 331.548 3.293 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000422854810 309372183 /nfs/dbraw/zinc/37/21/83/309372183.db2.gz DBZQCHNGLVJUQM-AEFFLSMTSA-N 2 1 329.488 3.214 20 0 EGADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)cc2)n1 ZINC000422863465 309372623 /nfs/dbraw/zinc/37/26/23/309372623.db2.gz PCQGEUMPTUALED-FXAWDEMLSA-N 2 1 326.488 3.152 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(OC(C)C)c1 ZINC000422871146 309373092 /nfs/dbraw/zinc/37/30/92/309373092.db2.gz CNQOTWYTMLVGSO-GUDVDZBRSA-N 2 1 332.488 3.029 20 0 EGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422901621 309375255 /nfs/dbraw/zinc/37/52/55/309375255.db2.gz SIRQVDSEPODGTC-YLJYHZDGSA-N 2 1 338.499 3.120 20 0 EGADMP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c3ccccc3)C1)CC2 ZINC000422939315 309377209 /nfs/dbraw/zinc/37/72/09/309377209.db2.gz LWBPFZZXEHZHKS-HSALFYBXSA-N 2 1 338.499 3.404 20 0 EGADMP CC(C)CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422941875 309377296 /nfs/dbraw/zinc/37/72/96/309377296.db2.gz VVJXYHNYCCJWKO-VAMGGRTRSA-N 2 1 346.515 3.358 20 0 EGADMP c1coc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)[NH+]2CCCCC2)c1 ZINC000422967422 309378651 /nfs/dbraw/zinc/37/86/51/309378651.db2.gz TUJBJZNBANXCES-MKXGPGLRSA-N 2 1 331.504 3.317 20 0 EGADMP COCCNc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422967995 309378778 /nfs/dbraw/zinc/37/87/78/309378778.db2.gz QEUYZQZUSYZZLR-RTWAWAEBSA-N 2 1 339.483 3.328 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422987941 309379686 /nfs/dbraw/zinc/37/96/86/309379686.db2.gz JMBMDFPUWBJRET-NQIIRXRSSA-N 3 1 343.515 3.095 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422987943 309379694 /nfs/dbraw/zinc/37/96/94/309379694.db2.gz JMBMDFPUWBJRET-WIYYLYMNSA-N 3 1 343.515 3.095 20 0 EGADMP COC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccc(F)c(F)c1 ZINC000423018238 309381248 /nfs/dbraw/zinc/38/12/48/309381248.db2.gz QLOKWMVOFFOPQT-XIKOKIGWSA-N 2 1 335.398 3.165 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000423061582 309383847 /nfs/dbraw/zinc/38/38/47/309383847.db2.gz LBTBARFZAMXZCB-GUTXKFCHSA-N 2 1 327.394 3.014 20 0 EGADMP C[C@](CO)(C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000423068072 309384116 /nfs/dbraw/zinc/38/41/16/309384116.db2.gz ATRVAOCMIOHCEZ-FDFHNCONSA-N 2 1 338.495 3.311 20 0 EGADMP C[C@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)c1c[nH+]ccc1N ZINC000423072788 309384479 /nfs/dbraw/zinc/38/44/79/309384479.db2.gz JWHOBQOHSPCNJR-NSHDSACASA-N 2 1 340.349 3.028 20 0 EGADMP Brc1cncc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)c1 ZINC000423102332 309385984 /nfs/dbraw/zinc/38/59/84/309385984.db2.gz JVLNVHAYLKDRIN-QXULXFAOSA-N 2 1 336.277 3.168 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000423118063 309386826 /nfs/dbraw/zinc/38/68/26/309386826.db2.gz YQKYOYRKRHZNHY-LYBXBRPPSA-N 3 1 329.532 3.394 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000423118063 309386827 /nfs/dbraw/zinc/38/68/27/309386827.db2.gz YQKYOYRKRHZNHY-LYBXBRPPSA-N 3 1 329.532 3.394 20 0 EGADMP Cc1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc(N2CCCC2)n1 ZINC000423121925 309386944 /nfs/dbraw/zinc/38/69/44/309386944.db2.gz JWELRGXGVPKZBK-FXAWDEMLSA-N 2 1 338.499 3.038 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CC[NH2+]CC[C@@H]2C)[NH+](C)C)cc1 ZINC000423131954 309387707 /nfs/dbraw/zinc/38/77/07/309387707.db2.gz UDYHXHLBVKFREE-DBVUQKKJSA-N 2 1 333.520 3.054 20 0 EGADMP Clc1cccc(CC2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CC2)c1 ZINC000423173116 309389164 /nfs/dbraw/zinc/38/91/64/309389164.db2.gz WYMXAAKFLYYLHT-OTWHNJEPSA-N 2 1 348.918 3.409 20 0 EGADMP Brc1cccc2c1OCCC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000423182952 309389608 /nfs/dbraw/zinc/38/96/08/309389608.db2.gz KQPLYGOBHGCHFW-CQSZACIVSA-N 2 1 325.250 3.004 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000423214906 309390857 /nfs/dbraw/zinc/39/08/57/309390857.db2.gz LYSNGQSYWJMCIO-AVGNSLFASA-N 2 1 341.293 3.496 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000423256410 309392536 /nfs/dbraw/zinc/39/25/36/309392536.db2.gz BWURDCZJGAEOMF-KMFTYDHNSA-N 3 1 329.532 3.409 20 0 EGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000423262588 309392866 /nfs/dbraw/zinc/39/28/66/309392866.db2.gz MULDZGRZUBOFBI-DNVCBOLYSA-N 2 1 329.488 3.372 20 0 EGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423263044 309393057 /nfs/dbraw/zinc/39/30/57/309393057.db2.gz ALXUYJSXQRGSHM-ZVZYQTTQSA-N 2 1 338.467 3.408 20 0 EGADMP [NH3+][C@H](CN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000423330163 309395616 /nfs/dbraw/zinc/39/56/16/309395616.db2.gz TYWYXRARCLBHQJ-UWHLTILDSA-N 2 1 327.516 3.004 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(N)ccc32)[C@H](C)C1 ZINC000423353331 309396659 /nfs/dbraw/zinc/39/66/59/309396659.db2.gz LSUNSBRZZDHBLA-CZAAIQMYSA-N 2 1 345.531 3.373 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(C(F)(F)F)c1 ZINC000423491035 309402745 /nfs/dbraw/zinc/40/27/45/309402745.db2.gz IXXFVCYAYKPCGV-CVEARBPZSA-N 2 1 330.394 3.371 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(F)cc(Br)c1 ZINC000423495751 309402928 /nfs/dbraw/zinc/40/29/28/309402928.db2.gz VHHAABCHTKHOBM-GJZGRUSLSA-N 2 1 345.256 3.007 20 0 EGADMP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423517106 309404387 /nfs/dbraw/zinc/40/43/87/309404387.db2.gz NYUDUPIILGREOL-LPHOPBHVSA-N 2 1 340.467 3.391 20 0 EGADMP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000423694115 309410022 /nfs/dbraw/zinc/41/00/22/309410022.db2.gz KKEDMNGRYSLBFD-RDJZCZTQSA-N 2 1 346.519 3.127 20 0 EGADMP Fc1cccc(Cl)c1C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424300486 309437304 /nfs/dbraw/zinc/43/73/04/309437304.db2.gz WJKXGTWNDBYHFC-UHFFFAOYSA-N 2 1 334.826 3.116 20 0 EGADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cnn1C ZINC000449072039 310034696 /nfs/dbraw/zinc/03/46/96/310034696.db2.gz DKZQRJVNPBSVLS-IRXDYDNUSA-N 2 1 340.515 3.475 20 0 EGADMP COCC[NH+]1CCC([NH2+]CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000449404633 310059296 /nfs/dbraw/zinc/05/92/96/310059296.db2.gz VYEDYRVOSWKDQB-UHFFFAOYSA-N 2 1 347.286 3.073 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000449506049 310067644 /nfs/dbraw/zinc/06/76/44/310067644.db2.gz KJOADWGVSGYKRF-XXMUNEJQSA-N 2 1 342.527 3.426 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000449506049 310067645 /nfs/dbraw/zinc/06/76/45/310067645.db2.gz KJOADWGVSGYKRF-XXMUNEJQSA-N 2 1 342.527 3.426 20 0 EGADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000449905607 310093376 /nfs/dbraw/zinc/09/33/76/310093376.db2.gz FYVQZOSKSDSNPR-UYAOXDASSA-N 2 1 347.547 3.260 20 0 EGADMP CCc1[nH+]ccn1[C@@H]1CCCN(Cc2ccn(CC(F)(F)F)n2)C1 ZINC000450379431 310119232 /nfs/dbraw/zinc/11/92/32/310119232.db2.gz NZLIJCMXTFJXEV-CQSZACIVSA-N 2 1 341.381 3.041 20 0 EGADMP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1Cl ZINC000450497424 310126413 /nfs/dbraw/zinc/12/64/13/310126413.db2.gz DAYILFPLVNASOM-OAHLLOKOSA-N 2 1 346.814 3.175 20 0 EGADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1Cl ZINC000450497424 310126414 /nfs/dbraw/zinc/12/64/14/310126414.db2.gz DAYILFPLVNASOM-OAHLLOKOSA-N 2 1 346.814 3.175 20 0 EGADMP C[C@H]([NH2+]CCN(C)Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450723341 310139398 /nfs/dbraw/zinc/13/93/98/310139398.db2.gz COIQIJSFHXZVCD-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](NCC[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000450723341 310139399 /nfs/dbraw/zinc/13/93/99/310139399.db2.gz COIQIJSFHXZVCD-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](NCC[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000450723341 310139400 /nfs/dbraw/zinc/13/94/00/310139400.db2.gz COIQIJSFHXZVCD-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC4=CCCCC4)CC3)C2)cc1 ZINC000450980039 310153431 /nfs/dbraw/zinc/15/34/31/310153431.db2.gz CPJCSCWWNNJJTF-JOCHJYFZSA-N 2 1 339.527 3.379 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCCOC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453070931 310255934 /nfs/dbraw/zinc/25/59/34/310255934.db2.gz PYKUEEGRMGKFCO-TUFLPTIASA-N 2 1 328.500 3.446 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@](C)(OC)c2ccccc2)[C@@H](C)C1 ZINC000453313989 310270650 /nfs/dbraw/zinc/27/06/50/310270650.db2.gz FEKCDICHQBSECW-JBACZVJFSA-N 2 1 348.531 3.275 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000453338936 310271937 /nfs/dbraw/zinc/27/19/37/310271937.db2.gz GCXGPTUPJXLZIA-MPGHIAIKSA-N 2 1 328.460 3.180 20 0 EGADMP Cc1cc(C)c(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c(C)n1 ZINC000455528609 310365241 /nfs/dbraw/zinc/36/52/41/310365241.db2.gz QTHHBQAYQIMOOS-ZDUSSCGKSA-N 2 1 330.476 3.345 20 0 EGADMP C[NH+](C)[C@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccccc1 ZINC000456260337 310395357 /nfs/dbraw/zinc/39/53/57/310395357.db2.gz FMNMJLXPQFOYDN-PMACEKPBSA-N 2 1 337.467 3.477 20 0 EGADMP CCc1noc(-c2ccc(CC[NH2+]C3CC[NH+](C4CC4)CC3)cc2)n1 ZINC000459428473 310552030 /nfs/dbraw/zinc/55/20/30/310552030.db2.gz OHACXCBSTIRIJY-UHFFFAOYSA-N 2 1 340.471 3.058 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000489936827 311126127 /nfs/dbraw/zinc/12/61/27/311126127.db2.gz SHTOCPXCAFKTAL-BURNTYAHSA-N 2 1 328.500 3.446 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+][C@H]4CCCOC4)[C@H]3C2)cc1 ZINC000489936830 311126158 /nfs/dbraw/zinc/12/61/58/311126158.db2.gz SHTOCPXCAFKTAL-XSDIEEQYSA-N 2 1 328.500 3.446 20 0 EGADMP Cc1cc(N2CC[N@@H+](CCO)[C@H](C)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000490047205 311131484 /nfs/dbraw/zinc/13/14/84/311131484.db2.gz JSDDTZZRJGDEBT-CQSZACIVSA-N 2 1 333.863 3.008 20 0 EGADMP CCCc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000490963944 311159063 /nfs/dbraw/zinc/15/90/63/311159063.db2.gz ISOKOXOESJTDLV-WIYYLYMNSA-N 2 1 329.532 3.097 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000492786678 311290836 /nfs/dbraw/zinc/29/08/36/311290836.db2.gz ARARIHUQZKDROB-CVEARBPZSA-N 2 1 336.480 3.007 20 0 EGADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1(C)C ZINC000507541181 312076696 /nfs/dbraw/zinc/07/66/96/312076696.db2.gz YIHLZSAJNQRMMU-UJMXGEILSA-N 2 1 328.500 3.300 20 0 EGADMP CC(C)[C@@H]1C[N@@H+](CCCN2CCN(c3ccccc3)CC2)CCS1 ZINC000509685603 312123310 /nfs/dbraw/zinc/12/33/10/312123310.db2.gz CUAKSURSOGXJFP-FQEVSTJZSA-N 2 1 347.572 3.272 20 0 EGADMP OC[C@@H](CC1CCCC1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000510935816 312151118 /nfs/dbraw/zinc/15/11/18/312151118.db2.gz UJUJHKYJQIAVQG-OAQYLSRUSA-N 2 1 330.516 3.224 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCCCO4)[C@@H]3C2)cc1 ZINC000512620447 312190339 /nfs/dbraw/zinc/19/03/39/312190339.db2.gz QOIJPVBUILQNTE-BURNTYAHSA-N 2 1 328.500 3.446 20 0 EGADMP CC[C@H]1CCC[C@@H](C[NH+]2CCC([NH+](CCOC)CCOC)CC2)C1 ZINC000517057877 312361597 /nfs/dbraw/zinc/36/15/97/312361597.db2.gz XMILXIRDORNJGE-RBUKOAKNSA-N 2 1 340.552 3.262 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C[C@@H](c2ccccc2)C1 ZINC000521643253 312554881 /nfs/dbraw/zinc/55/48/81/312554881.db2.gz AVPWJHGWSHJSLE-IHPCNDPISA-N 2 1 330.516 3.395 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528479776 313101508 /nfs/dbraw/zinc/10/15/08/313101508.db2.gz XLIPKVSHEQQHNV-GOSISDBHSA-N 2 1 346.519 3.091 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528479776 313101511 /nfs/dbraw/zinc/10/15/11/313101511.db2.gz XLIPKVSHEQQHNV-GOSISDBHSA-N 2 1 346.519 3.091 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000529526149 313343854 /nfs/dbraw/zinc/34/38/54/313343854.db2.gz SANFGMIGQNKUEF-HDICACEKSA-N 2 1 340.515 3.158 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000529526149 313343857 /nfs/dbraw/zinc/34/38/57/313343857.db2.gz SANFGMIGQNKUEF-HDICACEKSA-N 2 1 340.515 3.158 20 0 EGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000537959737 314220136 /nfs/dbraw/zinc/22/01/36/314220136.db2.gz RQORFEYVOZIJET-KFKAGJAMSA-N 2 1 332.488 3.032 20 0 EGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000537959739 314220322 /nfs/dbraw/zinc/22/03/22/314220322.db2.gz RQORFEYVOZIJET-ZYSHUDEJSA-N 2 1 332.488 3.032 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2Cc2ccccc2)[C@H](C)C1 ZINC000539088514 314296212 /nfs/dbraw/zinc/29/62/12/314296212.db2.gz VLNSSKMEQLOSRA-BVOGOJNSSA-N 2 1 330.516 3.344 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000539091450 314296278 /nfs/dbraw/zinc/29/62/78/314296278.db2.gz NBNDFRBOPUBSAX-PZJWPPBQSA-N 2 1 348.531 3.409 20 0 EGADMP O[C@]1(C[NH2+][C@@H](c2ccccc2)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000539216475 314300680 /nfs/dbraw/zinc/30/06/80/314300680.db2.gz RLNXAPJULRHEJS-VXKWHMMOSA-N 2 1 336.479 3.364 20 0 EGADMP O[C@]1(C[NH2+][C@@H](c2ccccc2)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000539216475 314300683 /nfs/dbraw/zinc/30/06/83/314300683.db2.gz RLNXAPJULRHEJS-VXKWHMMOSA-N 2 1 336.479 3.364 20 0 EGADMP C[C@@H]1C[C@@H](CCNC(=O)CCCC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000548875930 315057582 /nfs/dbraw/zinc/05/75/82/315057582.db2.gz ZNRRSCKRSSUEKE-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)[C@@H]1C[NH+](CCCC[N@H+]2CCCO[C@H](C(C)C)C2)CCCO1 ZINC000550187658 315119846 /nfs/dbraw/zinc/11/98/46/315119846.db2.gz GXEIKFSJOGYNKA-PMACEKPBSA-N 2 1 340.552 3.260 20 0 EGADMP COc1ccccc1OCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550610136 315130681 /nfs/dbraw/zinc/13/06/81/315130681.db2.gz NEHMBIAUHWJSOK-RBUKOAKNSA-N 2 1 340.467 3.499 20 0 EGADMP COc1ccccc1OCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550610136 315130683 /nfs/dbraw/zinc/13/06/83/315130683.db2.gz NEHMBIAUHWJSOK-RBUKOAKNSA-N 2 1 340.467 3.499 20 0 EGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c3ccccc3)C1)C2 ZINC000550994171 315139730 /nfs/dbraw/zinc/13/97/30/315139730.db2.gz JLLKZTMLISZZNJ-IRFCIJBXSA-N 2 1 336.483 3.067 20 0 EGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c3ccccc3)C1)C2 ZINC000550994171 315139733 /nfs/dbraw/zinc/13/97/33/315139733.db2.gz JLLKZTMLISZZNJ-IRFCIJBXSA-N 2 1 336.483 3.067 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC3=CCCCC3)CC2)CC1 ZINC000553169615 315248317 /nfs/dbraw/zinc/24/83/17/315248317.db2.gz VRWVQXCMPVNYGE-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000555525196 315387798 /nfs/dbraw/zinc/38/77/98/315387798.db2.gz YMKQYEQMQRMKGX-UKRRQHHQSA-N 2 1 337.305 3.238 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000555548577 315389200 /nfs/dbraw/zinc/38/92/00/315389200.db2.gz AKXCBDDOGYOGSB-ZFWWWQNUSA-N 2 1 337.305 3.238 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000092766656 454629638 /nfs/dbraw/zinc/62/96/38/454629638.db2.gz WBNKLMFWBDROLT-SNPRPXQTSA-N 2 1 325.522 3.164 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000563693684 316057607 /nfs/dbraw/zinc/05/76/07/316057607.db2.gz PCJWSZWEHYSRHU-ROUUACIJSA-N 2 1 331.504 3.485 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]4OCCC[C@H]34)CC23CC3)cc1 ZINC000563810837 316072727 /nfs/dbraw/zinc/07/27/27/316072727.db2.gz VYSMZFONOZFINE-MTQWCTHYSA-N 2 1 326.484 3.341 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]4OCCC[C@H]34)CC23CC3)cc1 ZINC000563810837 316072732 /nfs/dbraw/zinc/07/27/32/316072732.db2.gz VYSMZFONOZFINE-MTQWCTHYSA-N 2 1 326.484 3.341 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000564069598 316108827 /nfs/dbraw/zinc/10/88/27/316108827.db2.gz RUCAEASYQKTYRO-IBGZPJMESA-N 2 1 346.515 3.468 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c2ccccc21 ZINC000564074335 316109190 /nfs/dbraw/zinc/10/91/90/316109190.db2.gz WYUJXGHMOWITNU-KFKAGJAMSA-N 2 1 336.439 3.027 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000564922491 316233334 /nfs/dbraw/zinc/23/33/34/316233334.db2.gz RBIHKTKAYJSRPF-MJGOQNOKSA-N 2 1 345.531 3.483 20 0 EGADMP CSc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)CCC2 ZINC000565303494 316307104 /nfs/dbraw/zinc/30/71/04/316307104.db2.gz KCEJLBIFGWPWHF-IBGZPJMESA-N 2 1 334.529 3.222 20 0 EGADMP Cc1cnc2cc(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)ccn12 ZINC000565551579 316339464 /nfs/dbraw/zinc/33/94/64/316339464.db2.gz YDQAPJDITIIDPA-SFHVURJKSA-N 2 1 340.471 3.170 20 0 EGADMP COc1c(O)cccc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000565645364 316351609 /nfs/dbraw/zinc/35/16/09/316351609.db2.gz HIAVZJPKAZILMH-FUHWJXTLSA-N 2 1 344.430 3.023 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(F)c1 ZINC000565720120 316361631 /nfs/dbraw/zinc/36/16/31/316361631.db2.gz OHODKRRRSJICIZ-SFHVURJKSA-N 2 1 342.458 3.489 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(F)c1 ZINC000565720120 316361635 /nfs/dbraw/zinc/36/16/35/316361635.db2.gz OHODKRRRSJICIZ-SFHVURJKSA-N 2 1 342.458 3.489 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc(C3CCCCC3)s2)CC12CCOCC2 ZINC000565833370 316376677 /nfs/dbraw/zinc/37/66/77/316376677.db2.gz AIMJEUAZZPBWBV-MRXNPFEDSA-N 2 1 349.544 3.378 20 0 EGADMP CCc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c2ccccc2[nH+]1 ZINC000568968512 316848007 /nfs/dbraw/zinc/84/80/07/316848007.db2.gz MYBYHKVLOJRTFH-RDJZCZTQSA-N 2 1 325.456 3.097 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000570895330 317122407 /nfs/dbraw/zinc/12/24/07/317122407.db2.gz QEMDQPROZBXOAV-PGRDOPGGSA-N 2 1 341.543 3.337 20 0 EGADMP C[NH+](C)Cc1ccc(CNC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC000571225492 317168382 /nfs/dbraw/zinc/16/83/82/317168382.db2.gz GLTLGQZSMFEZCU-UHFFFAOYSA-N 2 1 331.504 3.019 20 0 EGADMP Cc1ccc(-c2nc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cs2)o1 ZINC000571688271 317233305 /nfs/dbraw/zinc/23/33/05/317233305.db2.gz OJZMPIFMBPBLQY-WBVHZDCISA-N 2 1 347.484 3.040 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC000572199650 317304612 /nfs/dbraw/zinc/30/46/12/317304612.db2.gz CPPABZYPIMJZLV-HNNXBMFYSA-N 2 1 332.879 3.446 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC000572199650 317304615 /nfs/dbraw/zinc/30/46/15/317304615.db2.gz CPPABZYPIMJZLV-HNNXBMFYSA-N 2 1 332.879 3.446 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(OCC(F)F)cc3)C2)CC1 ZINC000572323952 317320638 /nfs/dbraw/zinc/32/06/38/317320638.db2.gz BFLXBECHMIBNEM-KRWDZBQOSA-N 2 1 338.442 3.494 20 0 EGADMP Cc1cccc(C)c1OC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000572325461 317321243 /nfs/dbraw/zinc/32/12/43/317321243.db2.gz FLGWIMZJDOPFEK-RTBURBONSA-N 2 1 348.531 3.142 20 0 EGADMP Cc1cccc(C)c1OC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000572325461 317321247 /nfs/dbraw/zinc/32/12/47/317321247.db2.gz FLGWIMZJDOPFEK-RTBURBONSA-N 2 1 348.531 3.142 20 0 EGADMP CCCOc1ccc(OCC[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000572400332 317333570 /nfs/dbraw/zinc/33/35/70/317333570.db2.gz CFYWRDVPVYZDKX-UHFFFAOYSA-N 2 1 332.488 3.414 20 0 EGADMP CCCOc1ccc(OCC[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000572400332 317333572 /nfs/dbraw/zinc/33/35/72/317333572.db2.gz CFYWRDVPVYZDKX-UHFFFAOYSA-N 2 1 332.488 3.414 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCC(F)(F)F ZINC000174516515 323307122 /nfs/dbraw/zinc/30/71/22/323307122.db2.gz CVSWGTRZXRARLT-GXTWGEPZSA-N 2 1 346.393 3.209 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCC(F)(F)F ZINC000174516515 323307125 /nfs/dbraw/zinc/30/71/25/323307125.db2.gz CVSWGTRZXRARLT-GXTWGEPZSA-N 2 1 346.393 3.209 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000178102414 323351404 /nfs/dbraw/zinc/35/14/04/323351404.db2.gz PXYAKPIXDISOMC-RKVPGOIHSA-N 2 1 332.488 3.460 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000178102414 323351407 /nfs/dbraw/zinc/35/14/07/323351407.db2.gz PXYAKPIXDISOMC-RKVPGOIHSA-N 2 1 332.488 3.460 20 0 EGADMP C[N@@H+](CCC[NH2+]C1CCC(O)(C(F)(F)F)CC1)C1CCCCC1 ZINC000396319303 324294022 /nfs/dbraw/zinc/29/40/22/324294022.db2.gz IGLHVLDOYNKRIC-UHFFFAOYSA-N 2 1 336.442 3.467 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1COc2ccccc2C1 ZINC000398108601 324296253 /nfs/dbraw/zinc/29/62/53/324296253.db2.gz CERZUFOYIPRZAZ-QMMLZNLJSA-N 2 1 336.479 3.490 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1COc2ccccc2C1 ZINC000398108601 324296258 /nfs/dbraw/zinc/29/62/58/324296258.db2.gz CERZUFOYIPRZAZ-QMMLZNLJSA-N 2 1 336.479 3.490 20 0 EGADMP CCn1cncc1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000417947321 324302726 /nfs/dbraw/zinc/30/27/26/324302726.db2.gz GHDJLZLQMHLJAN-PKOBYXMFSA-N 2 1 326.488 3.293 20 0 EGADMP C[C@H]([NH2+]Cc1cnc(C2CC2)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459471093 324359509 /nfs/dbraw/zinc/35/95/09/324359509.db2.gz FVCGFYWSRNMLGO-OXJNMPFZSA-N 2 1 336.483 3.354 20 0 EGADMP C[C@H]([NH2+]Cc1cnc(C2CC2)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459471093 324359514 /nfs/dbraw/zinc/35/95/14/324359514.db2.gz FVCGFYWSRNMLGO-OXJNMPFZSA-N 2 1 336.483 3.354 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(CC)(CC)C3)CC2)CC1 ZINC000578905505 325036188 /nfs/dbraw/zinc/03/61/88/325036188.db2.gz GEJFMMAEQLAETE-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1sc2[nH]c([C@H](C)[NH+]3CCC(CC[NH3+])CC3)nc(=O)c2c1C ZINC000580956185 325313772 /nfs/dbraw/zinc/31/37/72/325313772.db2.gz YIHOPZMAHJXUOO-NSHDSACASA-N 2 1 334.489 3.136 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000581487584 325365687 /nfs/dbraw/zinc/36/56/87/325365687.db2.gz XEPWHPWIMGEJNG-POZUXBRTSA-N 2 1 340.471 3.266 20 0 EGADMP CSc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000356310030 457567542 /nfs/dbraw/zinc/56/75/42/457567542.db2.gz WQZSVGGCQQTYHU-CQSZACIVSA-N 2 1 339.574 3.070 20 0 EGADMP CCC(CC)(C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000424329971 458617655 /nfs/dbraw/zinc/61/76/55/458617655.db2.gz REEQAQQEJHAQGK-OWCLPIDISA-N 2 1 326.525 3.453 20 0 EGADMP CC[C@@H](CCO)C[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183148166 455239257 /nfs/dbraw/zinc/23/92/57/455239257.db2.gz IFAXQHDGVUWBHR-VMXMFDLUSA-N 2 1 330.516 3.285 20 0 EGADMP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443059014 459079989 /nfs/dbraw/zinc/07/99/89/459079989.db2.gz LOYYGFYHSDSICB-NEPJUHHUSA-N 2 1 344.286 3.381 20 0 EGADMP COC[C@H](Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183184791 455246285 /nfs/dbraw/zinc/24/62/85/455246285.db2.gz YULRGIMLWWNZHB-RLLQIKCJSA-N 2 1 330.516 3.487 20 0 EGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631845874 460579871 /nfs/dbraw/zinc/57/98/71/460579871.db2.gz MXBHYJVRSNJIKW-KDOFPFPSSA-N 2 1 327.476 3.042 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245576336 455333839 /nfs/dbraw/zinc/33/38/39/455333839.db2.gz BCMOFEIBCFUWJV-PZJWPPBQSA-N 2 1 346.515 3.408 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245576336 455333843 /nfs/dbraw/zinc/33/38/43/455333843.db2.gz BCMOFEIBCFUWJV-PZJWPPBQSA-N 2 1 346.515 3.408 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245576336 455333847 /nfs/dbraw/zinc/33/38/47/455333847.db2.gz BCMOFEIBCFUWJV-PZJWPPBQSA-N 2 1 346.515 3.408 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245576336 455333852 /nfs/dbraw/zinc/33/38/52/455333852.db2.gz BCMOFEIBCFUWJV-PZJWPPBQSA-N 2 1 346.515 3.408 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245576336 455333854 /nfs/dbraw/zinc/33/38/54/455333854.db2.gz BCMOFEIBCFUWJV-PZJWPPBQSA-N 2 1 346.515 3.408 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCSCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000600778208 460600112 /nfs/dbraw/zinc/60/01/12/460600112.db2.gz WRLBVNRJGXODSE-LSDHHAIUSA-N 2 1 332.435 3.379 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000081633629 453899443 /nfs/dbraw/zinc/89/94/43/453899443.db2.gz RJXIMCYTKLHMFA-MRXNPFEDSA-N 2 1 349.906 3.332 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000081633629 453899445 /nfs/dbraw/zinc/89/94/45/453899445.db2.gz RJXIMCYTKLHMFA-MRXNPFEDSA-N 2 1 349.906 3.332 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000081633629 453899448 /nfs/dbraw/zinc/89/94/48/453899448.db2.gz RJXIMCYTKLHMFA-MRXNPFEDSA-N 2 1 349.906 3.332 20 0 EGADMP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000075572109 453906685 /nfs/dbraw/zinc/90/66/85/453906685.db2.gz QABBNZMLRSBABA-CLNPQZTCSA-N 2 1 327.516 3.192 20 0 EGADMP C[N@H+]1CCCC[C@H]1CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000075572109 453906687 /nfs/dbraw/zinc/90/66/87/453906687.db2.gz QABBNZMLRSBABA-CLNPQZTCSA-N 2 1 327.516 3.192 20 0 EGADMP CCCC[N@@H+](CC)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000076463222 454003235 /nfs/dbraw/zinc/00/32/35/454003235.db2.gz UODKAHLECLLOAY-UHFFFAOYSA-N 2 1 345.531 3.198 20 0 EGADMP CCOc1cc(C[NH2+]CCCn2cc[nH+]c2C)cc(Cl)c1OC ZINC000069754150 454141358 /nfs/dbraw/zinc/14/13/58/454141358.db2.gz RTKSQNUBRIIZCA-UHFFFAOYSA-N 2 1 337.851 3.432 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000089510713 454157418 /nfs/dbraw/zinc/15/74/18/454157418.db2.gz ODHWJNYIKMVRQV-HLIPFELVSA-N 2 1 343.515 3.131 20 0 EGADMP O[C@@H](C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl)C[NH+]1CCCC1 ZINC000089697619 454178245 /nfs/dbraw/zinc/17/82/45/454178245.db2.gz COYNTTNBUSUETC-LRDDRELGSA-N 2 1 329.271 3.027 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)C[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000130282656 454187054 /nfs/dbraw/zinc/18/70/54/454187054.db2.gz XWKILRYBJAAMDQ-MRXNPFEDSA-N 2 1 329.488 3.389 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000072038084 454267851 /nfs/dbraw/zinc/26/78/51/454267851.db2.gz SOZGKUFAIKWFLF-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072038084 454267856 /nfs/dbraw/zinc/26/78/56/454267856.db2.gz SOZGKUFAIKWFLF-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072038084 454267861 /nfs/dbraw/zinc/26/78/61/454267861.db2.gz SOZGKUFAIKWFLF-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000131852564 454291909 /nfs/dbraw/zinc/29/19/09/454291909.db2.gz GQMFRBZPNNUPDZ-UHFFFAOYSA-N 2 1 344.503 3.133 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000131852564 454291910 /nfs/dbraw/zinc/29/19/10/454291910.db2.gz GQMFRBZPNNUPDZ-UHFFFAOYSA-N 2 1 344.503 3.133 20 0 EGADMP Brc1cccc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000131869047 454292899 /nfs/dbraw/zinc/29/28/99/454292899.db2.gz IBZXQCNFRYHZBH-INIZCTEOSA-N 2 1 333.229 3.497 20 0 EGADMP Brc1cccc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000131869047 454292903 /nfs/dbraw/zinc/29/29/03/454292903.db2.gz IBZXQCNFRYHZBH-INIZCTEOSA-N 2 1 333.229 3.497 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2Oc2cccc(C)c2)CC1 ZINC000090580459 454323991 /nfs/dbraw/zinc/32/39/91/454323991.db2.gz VCHORCSXUZDIFS-RTWAWAEBSA-N 2 1 346.515 3.385 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000090586599 454324138 /nfs/dbraw/zinc/32/41/38/454324138.db2.gz PQNXFRXRBZMXFY-MRXNPFEDSA-N 2 1 336.549 3.070 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2Oc2ccccc2C)CC1 ZINC000090593041 454326439 /nfs/dbraw/zinc/32/64/39/454326439.db2.gz FDOHUUYDMSBVHY-FPOVZHCZSA-N 2 1 346.515 3.385 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Cc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000090936481 454351076 /nfs/dbraw/zinc/35/10/76/454351076.db2.gz GVEHFAAUQMMCPF-JZXOWHBKSA-N 2 1 334.504 3.202 20 0 EGADMP CC(C)C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccn1 ZINC000132780192 454365089 /nfs/dbraw/zinc/36/50/89/454365089.db2.gz KAPNUFYDWZAAJX-XLIONFOSSA-N 2 1 331.504 3.259 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000062426939 454376888 /nfs/dbraw/zinc/37/68/88/454376888.db2.gz KQAYBWHFFNGSOV-IBGZPJMESA-N 2 1 339.483 3.481 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000062426939 454376889 /nfs/dbraw/zinc/37/68/89/454376889.db2.gz KQAYBWHFFNGSOV-IBGZPJMESA-N 2 1 339.483 3.481 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000091285161 454422736 /nfs/dbraw/zinc/42/27/36/454422736.db2.gz JZTRGKYDCAHFHW-OAQYLSRUSA-N 2 1 347.547 3.400 20 0 EGADMP Cc1ccc([C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C2CC2)cc1 ZINC000091333136 454427897 /nfs/dbraw/zinc/42/78/97/454427897.db2.gz MQKSNINZQXOFPZ-NRFANRHFSA-N 2 1 329.532 3.309 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C(=O)OC)c(C)o2)CC1 ZINC000097476090 454437052 /nfs/dbraw/zinc/43/70/52/454437052.db2.gz CCKFXEHYWWWMSB-UHFFFAOYSA-N 2 1 336.476 3.319 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc1)C(C)C ZINC000101627575 454477613 /nfs/dbraw/zinc/47/76/13/454477613.db2.gz WGANNADLNATLAO-UHFFFAOYSA-N 2 1 333.520 3.235 20 0 EGADMP CC[NH+](CCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)C1CC1 ZINC000101957178 454490113 /nfs/dbraw/zinc/49/01/13/454490113.db2.gz ZKANHSQJANYTJA-UHFFFAOYSA-N 2 1 331.504 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+](CC)C2CC2)cc1)C(C)C ZINC000101957178 454490115 /nfs/dbraw/zinc/49/01/15/454490115.db2.gz ZKANHSQJANYTJA-UHFFFAOYSA-N 2 1 331.504 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+](CC)C2CC2)cc1)C(C)C ZINC000101957178 454490119 /nfs/dbraw/zinc/49/01/19/454490119.db2.gz ZKANHSQJANYTJA-UHFFFAOYSA-N 2 1 331.504 3.131 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000079921253 454499202 /nfs/dbraw/zinc/49/92/02/454499202.db2.gz ACPWMVAJUBVEBA-UHFFFAOYSA-N 2 1 329.835 3.415 20 0 EGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(F)cccc3N3CCCC3)CC[C@@H]21 ZINC000092043660 454508468 /nfs/dbraw/zinc/50/84/68/454508468.db2.gz RGGJCMSTIUDYLW-APWZRJJASA-N 2 1 331.479 3.342 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(F)cccc3N3CCCC3)CC[C@@H]21 ZINC000092043660 454508471 /nfs/dbraw/zinc/50/84/71/454508471.db2.gz RGGJCMSTIUDYLW-APWZRJJASA-N 2 1 331.479 3.342 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(F)cccc3N3CCCC3)CC[C@@H]21 ZINC000092043660 454508476 /nfs/dbraw/zinc/50/84/76/454508476.db2.gz RGGJCMSTIUDYLW-APWZRJJASA-N 2 1 331.479 3.342 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(F)cccc3N3CCCC3)CC[C@@H]21 ZINC000092043660 454508478 /nfs/dbraw/zinc/50/84/78/454508478.db2.gz RGGJCMSTIUDYLW-APWZRJJASA-N 2 1 331.479 3.342 20 0 EGADMP CC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[C@@H]1CCCO1 ZINC000092407531 454562054 /nfs/dbraw/zinc/56/20/54/454562054.db2.gz ILSUBVJRNASQDZ-FQEVSTJZSA-N 2 1 345.531 3.218 20 0 EGADMP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869605 454601160 /nfs/dbraw/zinc/60/11/60/454601160.db2.gz ADECINAETWRNEN-XLIONFOSSA-N 2 1 341.499 3.272 20 0 EGADMP Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869605 454601164 /nfs/dbraw/zinc/60/11/64/454601164.db2.gz ADECINAETWRNEN-XLIONFOSSA-N 2 1 341.499 3.272 20 0 EGADMP Cc1ccccc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134869605 454601165 /nfs/dbraw/zinc/60/11/65/454601165.db2.gz ADECINAETWRNEN-XLIONFOSSA-N 2 1 341.499 3.272 20 0 EGADMP Cc1ccccc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134869605 454601169 /nfs/dbraw/zinc/60/11/69/454601169.db2.gz ADECINAETWRNEN-XLIONFOSSA-N 2 1 341.499 3.272 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000092756947 454626250 /nfs/dbraw/zinc/62/62/50/454626250.db2.gz UFPVTNQKKFPITA-FQEVSTJZSA-N 2 1 329.532 3.315 20 0 EGADMP CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2nccs2)CC1 ZINC000105464627 454638991 /nfs/dbraw/zinc/63/89/91/454638991.db2.gz LOMFCJGPARJWKV-CQSZACIVSA-N 2 1 348.491 3.275 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2cccc(C)c2)CC1 ZINC000052209226 454661773 /nfs/dbraw/zinc/66/17/73/454661773.db2.gz SHFTYGUDNLJCCO-FQEVSTJZSA-N 2 1 348.531 3.179 20 0 EGADMP C[C@@H](NCC[NH+]1CCCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000123969259 454691632 /nfs/dbraw/zinc/69/16/32/454691632.db2.gz JABBBPFEZVHASJ-GOSISDBHSA-N 2 1 333.520 3.154 20 0 EGADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000124472766 454737605 /nfs/dbraw/zinc/73/76/05/454737605.db2.gz WLYBIYHYAHAVIZ-ZWKOTPCHSA-N 2 1 347.547 3.050 20 0 EGADMP CC1(C)[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)[C@@H]2CCO[C@@H]21 ZINC000161966362 454740722 /nfs/dbraw/zinc/74/07/22/454740722.db2.gz ACMQWSFATXYRCF-ZCNNSNEGSA-N 2 1 346.490 3.236 20 0 EGADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cccc4c3CC[NH2+]C4)CC2)C1 ZINC000635008824 460652170 /nfs/dbraw/zinc/65/21/70/460652170.db2.gz HLSHTKHCEFZQSH-LAUBAEHRSA-N 3 1 341.543 3.465 20 0 EGADMP Cc1nc(CCN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000124767172 454767881 /nfs/dbraw/zinc/76/78/81/454767881.db2.gz MVWBRNTTYHKSOH-GOSISDBHSA-N 2 1 329.513 3.448 20 0 EGADMP Cc1nc(CC[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000124767172 454767904 /nfs/dbraw/zinc/76/79/04/454767904.db2.gz MVWBRNTTYHKSOH-GOSISDBHSA-N 2 1 329.513 3.448 20 0 EGADMP Cc1nc(CC[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000124767172 454767908 /nfs/dbraw/zinc/76/79/08/454767908.db2.gz MVWBRNTTYHKSOH-GOSISDBHSA-N 2 1 329.513 3.448 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCN1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000124812814 454771829 /nfs/dbraw/zinc/77/18/29/454771829.db2.gz QHENYAFUYSQGSV-LJQANCHMSA-N 2 1 335.923 3.332 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000124812814 454771831 /nfs/dbraw/zinc/77/18/31/454771831.db2.gz QHENYAFUYSQGSV-LJQANCHMSA-N 2 1 335.923 3.332 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000124812814 454771833 /nfs/dbraw/zinc/77/18/33/454771833.db2.gz QHENYAFUYSQGSV-LJQANCHMSA-N 2 1 335.923 3.332 20 0 EGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000124812814 454771834 /nfs/dbraw/zinc/77/18/34/454771834.db2.gz QHENYAFUYSQGSV-LJQANCHMSA-N 2 1 335.923 3.332 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000124812814 454771835 /nfs/dbraw/zinc/77/18/35/454771835.db2.gz QHENYAFUYSQGSV-LJQANCHMSA-N 2 1 335.923 3.332 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000124812814 454771836 /nfs/dbraw/zinc/77/18/36/454771836.db2.gz QHENYAFUYSQGSV-LJQANCHMSA-N 2 1 335.923 3.332 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000124812814 454771837 /nfs/dbraw/zinc/77/18/37/454771837.db2.gz QHENYAFUYSQGSV-LJQANCHMSA-N 2 1 335.923 3.332 20 0 EGADMP C[N@H+]1CCC[C@H]1CCN1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000124813008 454771932 /nfs/dbraw/zinc/77/19/32/454771932.db2.gz QHENYAFUYSQGSV-IBGZPJMESA-N 2 1 335.923 3.332 20 0 EGADMP C[NH+]1CCC[C@H]1CCN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000124813008 454771934 /nfs/dbraw/zinc/77/19/34/454771934.db2.gz QHENYAFUYSQGSV-IBGZPJMESA-N 2 1 335.923 3.332 20 0 EGADMP C[NH+]1CCC[C@H]1CCN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000124813008 454771936 /nfs/dbraw/zinc/77/19/36/454771936.db2.gz QHENYAFUYSQGSV-IBGZPJMESA-N 2 1 335.923 3.332 20 0 EGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000124813008 454771938 /nfs/dbraw/zinc/77/19/38/454771938.db2.gz QHENYAFUYSQGSV-IBGZPJMESA-N 2 1 335.923 3.332 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000124813008 454771941 /nfs/dbraw/zinc/77/19/41/454771941.db2.gz QHENYAFUYSQGSV-IBGZPJMESA-N 2 1 335.923 3.332 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000124813008 454771944 /nfs/dbraw/zinc/77/19/44/454771944.db2.gz QHENYAFUYSQGSV-IBGZPJMESA-N 2 1 335.923 3.332 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000124813008 454771945 /nfs/dbraw/zinc/77/19/45/454771945.db2.gz QHENYAFUYSQGSV-IBGZPJMESA-N 2 1 335.923 3.332 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCC(=O)Nc2c(C)cccc2C)C1 ZINC000137747822 454784685 /nfs/dbraw/zinc/78/46/85/454784685.db2.gz ANECVLIOCXTUFN-SFHVURJKSA-N 2 1 331.504 3.296 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCC(=O)Nc2c(C)cccc2C)C1 ZINC000137747822 454784686 /nfs/dbraw/zinc/78/46/86/454784686.db2.gz ANECVLIOCXTUFN-SFHVURJKSA-N 2 1 331.504 3.296 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)[C@H](C)C1 ZINC000153363410 454785817 /nfs/dbraw/zinc/78/58/17/454785817.db2.gz DPYPVYHFPYZKQV-HOJAQTOUSA-N 2 1 345.531 3.152 20 0 EGADMP CCCC[C@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000125026570 454791508 /nfs/dbraw/zinc/79/15/08/454791508.db2.gz DVVMMTYOLPNNFF-KRWDZBQOSA-N 2 1 347.503 3.016 20 0 EGADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000108372032 454795099 /nfs/dbraw/zinc/79/50/99/454795099.db2.gz YWDQCPZFSGESPG-UHFFFAOYSA-N 2 1 341.858 3.270 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000109696633 454833372 /nfs/dbraw/zinc/83/33/72/454833372.db2.gz QCWWAKQTKBDWFY-KRWDZBQOSA-N 2 1 331.504 3.106 20 0 EGADMP C[C@H]([N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1(C)CC1 ZINC000177222846 454838954 /nfs/dbraw/zinc/83/89/54/454838954.db2.gz NDFOAOYJSLDURP-KRWDZBQOSA-N 2 1 343.515 3.019 20 0 EGADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc(Oc2ccncc2)c1 ZINC000153858413 454840830 /nfs/dbraw/zinc/84/08/30/454840830.db2.gz WTEJWDCWHZBICS-IBGZPJMESA-N 2 1 339.439 3.286 20 0 EGADMP CC(C)[C@@H]1CN(C)CCN1C(=O)c1cccc(Oc2ccncc2)c1 ZINC000153858413 454840831 /nfs/dbraw/zinc/84/08/31/454840831.db2.gz WTEJWDCWHZBICS-IBGZPJMESA-N 2 1 339.439 3.286 20 0 EGADMP COc1ccc(Oc2cc(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)ccn2)cc1 ZINC000163456716 454848250 /nfs/dbraw/zinc/84/82/50/454848250.db2.gz UADSVWQZKPYAEU-KXBFYZLASA-N 2 1 341.455 3.312 20 0 EGADMP COc1ccc(Oc2cc(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)ccn2)cc1 ZINC000163456716 454848253 /nfs/dbraw/zinc/84/82/53/454848253.db2.gz UADSVWQZKPYAEU-KXBFYZLASA-N 2 1 341.455 3.312 20 0 EGADMP C[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000111563528 454869043 /nfs/dbraw/zinc/86/90/43/454869043.db2.gz DCBNUUFJHMIRAQ-MRXNPFEDSA-N 2 1 337.467 3.134 20 0 EGADMP C[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000111563528 454869046 /nfs/dbraw/zinc/86/90/46/454869046.db2.gz DCBNUUFJHMIRAQ-MRXNPFEDSA-N 2 1 337.467 3.134 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000164019030 454872542 /nfs/dbraw/zinc/87/25/42/454872542.db2.gz XGCOPWXVXSUVBV-OPYAIIAOSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000164019030 454872543 /nfs/dbraw/zinc/87/25/43/454872543.db2.gz XGCOPWXVXSUVBV-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000164019030 454872547 /nfs/dbraw/zinc/87/25/47/454872547.db2.gz XGCOPWXVXSUVBV-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000164019030 454872548 /nfs/dbraw/zinc/87/25/48/454872548.db2.gz XGCOPWXVXSUVBV-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP COc1cccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000177604350 454882365 /nfs/dbraw/zinc/88/23/65/454882365.db2.gz WLECYZGSCBPEEN-OAHLLOKOSA-N 2 1 340.471 3.422 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000126382522 454889909 /nfs/dbraw/zinc/88/99/09/454889909.db2.gz HWYJTWCPRQUWST-WBMJQRKESA-N 2 1 343.284 3.451 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000154551971 454906570 /nfs/dbraw/zinc/90/65/70/454906570.db2.gz UCUJPLZFFGERBJ-UZLBHIALSA-N 2 1 333.495 3.066 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(OC[C@H]2CCOC2)c1 ZINC000167188120 454919487 /nfs/dbraw/zinc/91/94/87/454919487.db2.gz OPRVTUDHLKSUAE-CGBFIWBNSA-N 2 1 346.515 3.229 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(OC[C@H]2CCOC2)c1 ZINC000167188120 454919493 /nfs/dbraw/zinc/91/94/93/454919493.db2.gz OPRVTUDHLKSUAE-CGBFIWBNSA-N 2 1 346.515 3.229 20 0 EGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000151082886 454934568 /nfs/dbraw/zinc/93/45/68/454934568.db2.gz SSYNPYCAGFEZLE-CQSZACIVSA-N 2 1 335.458 3.113 20 0 EGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000151082886 454934571 /nfs/dbraw/zinc/93/45/71/454934571.db2.gz SSYNPYCAGFEZLE-CQSZACIVSA-N 2 1 335.458 3.113 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000151115546 454940072 /nfs/dbraw/zinc/94/00/72/454940072.db2.gz GLRWERFVGCBRLL-HOTGVXAUSA-N 2 1 331.460 3.026 20 0 EGADMP c1cnn(-c2ccc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)c1 ZINC000179169064 455015993 /nfs/dbraw/zinc/01/59/93/455015993.db2.gz UNOCKPQKANZYPP-NQIIRXRSSA-N 2 1 336.483 3.321 20 0 EGADMP c1cnn(-c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2)c1 ZINC000179169064 455015996 /nfs/dbraw/zinc/01/59/96/455015996.db2.gz UNOCKPQKANZYPP-NQIIRXRSSA-N 2 1 336.483 3.321 20 0 EGADMP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)o1 ZINC000115617228 455022597 /nfs/dbraw/zinc/02/25/97/455022597.db2.gz FKTQRQVZBGOFJP-INIZCTEOSA-N 2 1 345.462 3.120 20 0 EGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1C(F)(F)F ZINC000128425279 455055456 /nfs/dbraw/zinc/05/54/56/455055456.db2.gz MBHXDRLMZBVGNL-OAHLLOKOSA-N 2 1 343.437 3.384 20 0 EGADMP CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000155875931 455056337 /nfs/dbraw/zinc/05/63/37/455056337.db2.gz QFOCQOHBAWHKPG-HNNXBMFYSA-N 2 1 348.450 3.391 20 0 EGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000129099648 455097635 /nfs/dbraw/zinc/09/76/35/455097635.db2.gz SDHIRDPATHCEFN-ZYHUDNBSSA-N 2 1 330.259 3.134 20 0 EGADMP Brc1ccc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000156339657 455106753 /nfs/dbraw/zinc/10/67/53/455106753.db2.gz HKIHMMSNLWFOGM-INIZCTEOSA-N 2 1 333.229 3.497 20 0 EGADMP CSc1cccc(NC(=O)[C@H](C)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000152370697 455108736 /nfs/dbraw/zinc/10/87/36/455108736.db2.gz FVBKTFVNWANHJA-LSDHHAIUSA-N 2 1 335.517 3.009 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000623655897 460663119 /nfs/dbraw/zinc/66/31/19/460663119.db2.gz IEMYPRCPAMKSBO-FQEVSTJZSA-N 2 1 339.483 3.482 20 0 EGADMP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@@H+](CC)C[C@H]1C)c1cccc(OC)c1 ZINC000119037722 455121785 /nfs/dbraw/zinc/12/17/85/455121785.db2.gz FVRCKKKUKPTYRT-QMMLZNLJSA-N 2 1 347.547 3.398 20 0 EGADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000152463072 455123073 /nfs/dbraw/zinc/12/30/73/455123073.db2.gz XTRSMQIELDKZDK-QWHCGFSZSA-N 2 1 338.879 3.492 20 0 EGADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000152463072 455123077 /nfs/dbraw/zinc/12/30/77/455123077.db2.gz XTRSMQIELDKZDK-QWHCGFSZSA-N 2 1 338.879 3.492 20 0 EGADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cnn1-c1ccc(F)cc1 ZINC000152481079 455124706 /nfs/dbraw/zinc/12/47/06/455124706.db2.gz DOAILKOSDVHMHN-ZBFHGGJFSA-N 2 1 342.462 3.455 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656196 460664141 /nfs/dbraw/zinc/66/41/41/460664141.db2.gz OWSWKPCAJGLVMN-CQSZACIVSA-N 2 1 332.517 3.403 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656196 460664147 /nfs/dbraw/zinc/66/41/47/460664147.db2.gz OWSWKPCAJGLVMN-CQSZACIVSA-N 2 1 332.517 3.403 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000237348984 455176271 /nfs/dbraw/zinc/17/62/71/455176271.db2.gz YYNJNXMKDSMDSB-UTKZUKDTSA-N 2 1 343.515 3.067 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000245442825 455301236 /nfs/dbraw/zinc/30/12/36/455301236.db2.gz WQKBPUVPRBJJKW-CABCVRRESA-N 2 1 337.895 3.331 20 0 EGADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000181410249 455330926 /nfs/dbraw/zinc/33/09/26/455330926.db2.gz GJWDZCWGXNQEIW-ZCNNSNEGSA-N 2 1 344.499 3.258 20 0 EGADMP COC(=O)c1oc([C@H](C)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000246100803 455426694 /nfs/dbraw/zinc/42/66/94/455426694.db2.gz OQSCZLBNMPCVQG-YQQAZPJKSA-N 2 1 346.471 3.384 20 0 EGADMP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1C ZINC000246100803 455426699 /nfs/dbraw/zinc/42/66/99/455426699.db2.gz OQSCZLBNMPCVQG-YQQAZPJKSA-N 2 1 346.471 3.384 20 0 EGADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000182087854 455432789 /nfs/dbraw/zinc/43/27/89/455432789.db2.gz HXQRZDNKXARFCY-BEFAXECRSA-N 2 1 348.462 3.130 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)[C@@H](C)C1 ZINC000246173575 455440919 /nfs/dbraw/zinc/44/09/19/455440919.db2.gz MRJXDMLBHGRBJC-BBRMVZONSA-N 2 1 330.394 3.448 20 0 EGADMP CCc1noc(-c2ccc(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)cc2)n1 ZINC000246298398 455466488 /nfs/dbraw/zinc/46/64/88/455466488.db2.gz CXLRCLWGGHUCPZ-RVKKMQEKSA-N 2 1 342.487 3.160 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)nc1 ZINC000182269842 455476428 /nfs/dbraw/zinc/47/64/28/455476428.db2.gz ODBMOZXNDFRBFP-KSSFIOAISA-N 2 1 345.874 3.152 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000246954072 455537948 /nfs/dbraw/zinc/53/79/48/455537948.db2.gz INMHAHNOFVLWGT-UKAVVXHISA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000246954072 455537955 /nfs/dbraw/zinc/53/79/55/455537955.db2.gz INMHAHNOFVLWGT-UKAVVXHISA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000246954072 455537961 /nfs/dbraw/zinc/53/79/61/455537961.db2.gz INMHAHNOFVLWGT-UKAVVXHISA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000246954072 455537967 /nfs/dbraw/zinc/53/79/67/455537967.db2.gz INMHAHNOFVLWGT-UKAVVXHISA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000246954072 455537971 /nfs/dbraw/zinc/53/79/71/455537971.db2.gz INMHAHNOFVLWGT-UKAVVXHISA-N 2 1 329.532 3.359 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H]3CCc4c3cccc4F)CC2)nc(C)[nH+]1 ZINC000267461442 455551713 /nfs/dbraw/zinc/55/17/13/455551713.db2.gz VGMIZMUXSNHCLM-IBGZPJMESA-N 2 1 340.446 3.478 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(F)cc3C)C2)[C@@H](C)C1 ZINC000247136931 455565141 /nfs/dbraw/zinc/56/51/41/455565141.db2.gz AXCLYWWUJPNTPV-UHOSZYNNSA-N 2 1 333.495 3.423 20 0 EGADMP CCOC[C@@H]1CCC[NH+](CC(C)C[N@@H+]2CCC[C@@H](COCC)C2)C1 ZINC000247215604 455574344 /nfs/dbraw/zinc/57/43/44/455574344.db2.gz WEHUEJXMPYNUOE-WOJBJXKFSA-N 2 1 340.552 3.120 20 0 EGADMP CCSc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000185544498 455575753 /nfs/dbraw/zinc/57/57/53/455575753.db2.gz SLMSENXBRFWJAW-QGZVFWFLSA-N 2 1 334.529 3.389 20 0 EGADMP COc1cccc2c1CC[C@H]([NH2+]C1CC[NH+](CCOC(C)C)CC1)C2 ZINC000192444089 455618138 /nfs/dbraw/zinc/61/81/38/455618138.db2.gz RKHLHALOPCRBAO-IBGZPJMESA-N 2 1 346.515 3.032 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC000284076881 455632893 /nfs/dbraw/zinc/63/28/93/455632893.db2.gz SFQALROGPGMJJW-UHFFFAOYSA-N 2 1 336.439 3.105 20 0 EGADMP C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1ccccc1 ZINC000284245477 455656751 /nfs/dbraw/zinc/65/67/51/455656751.db2.gz FXDMGOBHTLAEAR-QGZVFWFLSA-N 2 1 348.450 3.071 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000284273715 455660784 /nfs/dbraw/zinc/66/07/84/455660784.db2.gz HAZVESDGSCOKQM-MRXNPFEDSA-N 2 1 338.293 3.369 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248008825 455668663 /nfs/dbraw/zinc/66/86/63/455668663.db2.gz LARKYZKVAUACEV-LNLFQRSKSA-N 2 1 329.488 3.047 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc2ccccc2n1 ZINC000271518861 455669155 /nfs/dbraw/zinc/66/91/55/455669155.db2.gz PFUYDKPCARKDQX-JHVJFLLYSA-N 2 1 339.483 3.263 20 0 EGADMP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000268442945 455684463 /nfs/dbraw/zinc/68/44/63/455684463.db2.gz DECNYDRTCXQBHN-MISYRCLQSA-N 2 1 345.531 3.084 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)cc1 ZINC000271570561 455688317 /nfs/dbraw/zinc/68/83/17/455688317.db2.gz VQGXCSMZSIZCFV-IAQYHMDHSA-N 2 1 327.350 3.145 20 0 EGADMP CC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(OC)cc1 ZINC000268885345 455718280 /nfs/dbraw/zinc/71/82/80/455718280.db2.gz NTDMROPPXFYCBG-IBGZPJMESA-N 2 1 332.488 3.381 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271822354 455774835 /nfs/dbraw/zinc/77/48/35/455774835.db2.gz CPLGWIBTDMNQQU-HNNXBMFYSA-N 2 1 330.476 3.129 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CC[C@](C)(c4ccccc4)C3)C2)CC1 ZINC000249843031 455777999 /nfs/dbraw/zinc/77/79/99/455777999.db2.gz NWYCINIIEJPPDI-VSKRKVRLSA-N 2 1 341.543 3.209 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CSCCS2)CC[N@H+]1Cc1ccccc1 ZINC000269066137 455780083 /nfs/dbraw/zinc/78/00/83/455780083.db2.gz LLECIFZBPUSVJC-NJAFHUGGSA-N 2 1 336.570 3.478 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CSCCS2)CC[N@H+]1Cc1ccccc1 ZINC000269066114 455780432 /nfs/dbraw/zinc/78/04/32/455780432.db2.gz LLECIFZBPUSVJC-BPQIPLTHSA-N 2 1 336.570 3.478 20 0 EGADMP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000252656705 455825192 /nfs/dbraw/zinc/82/51/92/455825192.db2.gz NVJOBGFVNORPKW-SJORKVTESA-N 2 1 340.471 3.010 20 0 EGADMP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000252656705 455825198 /nfs/dbraw/zinc/82/51/98/455825198.db2.gz NVJOBGFVNORPKW-SJORKVTESA-N 2 1 340.471 3.010 20 0 EGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1sccc1C[NH+](C)C ZINC000272084691 455842189 /nfs/dbraw/zinc/84/21/89/455842189.db2.gz WXKKWNJUVTWZKP-OAHLLOKOSA-N 2 1 345.512 3.060 20 0 EGADMP FC(F)(F)c1cnc([C@@H]2CCC[N@H+](Cc3cccc4nccn43)C2)[nH]1 ZINC000278650030 455843140 /nfs/dbraw/zinc/84/31/40/455843140.db2.gz JSFFNSHTZONYCZ-GFCCVEGCSA-N 2 1 349.360 3.456 20 0 EGADMP FC(F)(F)c1cnc([C@@H]2CCC[N@@H+](Cc3cccc4nccn43)C2)[nH]1 ZINC000278650030 455843146 /nfs/dbraw/zinc/84/31/46/455843146.db2.gz JSFFNSHTZONYCZ-GFCCVEGCSA-N 2 1 349.360 3.456 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000285440036 455846347 /nfs/dbraw/zinc/84/63/47/455846347.db2.gz FPMBTKIWGGLZOG-OAHLLOKOSA-N 2 1 328.243 3.212 20 0 EGADMP C[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285493247 455857452 /nfs/dbraw/zinc/85/74/52/455857452.db2.gz MGCIOUYUFSSMMD-DVJFUJMWSA-N 2 1 326.843 3.070 20 0 EGADMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285493247 455857455 /nfs/dbraw/zinc/85/74/55/455857455.db2.gz MGCIOUYUFSSMMD-DVJFUJMWSA-N 2 1 326.843 3.070 20 0 EGADMP C[NH+](C[C@@H](O)c1ccc(F)cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285493247 455857458 /nfs/dbraw/zinc/85/74/58/455857458.db2.gz MGCIOUYUFSSMMD-DVJFUJMWSA-N 2 1 326.843 3.070 20 0 EGADMP C[NH+](C[C@@H](O)c1ccc(F)cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285493247 455857461 /nfs/dbraw/zinc/85/74/61/455857461.db2.gz MGCIOUYUFSSMMD-DVJFUJMWSA-N 2 1 326.843 3.070 20 0 EGADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000285545624 455866997 /nfs/dbraw/zinc/86/69/97/455866997.db2.gz GFKBOQLPLJJSGR-HXUWFJFHSA-N 2 1 325.456 3.058 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c(C)c1OC ZINC000285561320 455870147 /nfs/dbraw/zinc/87/01/47/455870147.db2.gz HGTQBLHXWPLNMX-BMGDILEWSA-N 2 1 332.488 3.160 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CCSCC2)[C@H](C)C1 ZINC000187210676 455882494 /nfs/dbraw/zinc/88/24/94/455882494.db2.gz OXNASVFSKLZPHF-RYRKJORJSA-N 2 1 328.566 3.245 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000272334090 455918048 /nfs/dbraw/zinc/91/80/48/455918048.db2.gz YJUWFKWVHPXCJW-WWMYMODYSA-N 2 1 345.531 3.032 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCc3nc(Cl)ccc32)CCCO1 ZINC000296393653 455926055 /nfs/dbraw/zinc/92/60/55/455926055.db2.gz JZVDWWQKVORONF-GOEBONIOSA-N 2 1 337.895 3.203 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3nc(Cl)ccc32)CCCO1 ZINC000296393653 455926057 /nfs/dbraw/zinc/92/60/57/455926057.db2.gz JZVDWWQKVORONF-GOEBONIOSA-N 2 1 337.895 3.203 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000261706649 455932699 /nfs/dbraw/zinc/93/26/99/455932699.db2.gz IWFHABWCLMPJSC-LSTHTHJFSA-N 2 1 343.515 3.052 20 0 EGADMP Cc1nc2ccccc2n1C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000280292203 455938332 /nfs/dbraw/zinc/93/83/32/455938332.db2.gz UQXNHYXWLFDTJL-QGZVFWFLSA-N 2 1 326.488 3.466 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000261783500 455947282 /nfs/dbraw/zinc/94/72/82/455947282.db2.gz BKYQNIFURYIIRM-DLBZAZTESA-N 2 1 329.488 3.247 20 0 EGADMP C[NH2+][C@@H](C)Cc1noc([C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000261797977 455949543 /nfs/dbraw/zinc/94/95/43/455949543.db2.gz OYSJNPAPLYGJDF-HOTGVXAUSA-N 2 1 342.487 3.236 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1 ZINC000261815459 455953296 /nfs/dbraw/zinc/95/32/96/455953296.db2.gz NRRPARNDSYUPLK-QFBILLFUSA-N 2 1 331.504 3.118 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(CO)cc1 ZINC000272455941 455956078 /nfs/dbraw/zinc/95/60/78/455956078.db2.gz JZIXOIXYBNAFHA-UHFFFAOYSA-N 2 1 339.483 3.312 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272464685 455959840 /nfs/dbraw/zinc/95/98/40/455959840.db2.gz KQIRMAZAHCNOFQ-DJPFJPOOSA-N 2 1 342.458 3.359 20 0 EGADMP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261956952 455977488 /nfs/dbraw/zinc/97/74/88/455977488.db2.gz PAIHIZVQFFEJJV-OXGONZEZSA-N 2 1 334.426 3.102 20 0 EGADMP CC[NH2+]CC1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000262012392 455984508 /nfs/dbraw/zinc/98/45/08/455984508.db2.gz VFBXAZMGLQGYJV-UHFFFAOYSA-N 2 1 329.257 3.410 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000262013935 455984689 /nfs/dbraw/zinc/98/46/89/455984689.db2.gz WSGIGWVRCIMRBG-RYUDHWBXSA-N 2 1 344.286 3.381 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262044710 455989527 /nfs/dbraw/zinc/98/95/27/455989527.db2.gz PPMULASAOGWPDU-OAQYLSRUSA-N 2 1 338.499 3.355 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262044710 455989536 /nfs/dbraw/zinc/98/95/36/455989536.db2.gz PPMULASAOGWPDU-OAQYLSRUSA-N 2 1 338.499 3.355 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1OCC(C)C ZINC000262071284 455993283 /nfs/dbraw/zinc/99/32/83/455993283.db2.gz SDJODJVJFJDWAF-FQEVSTJZSA-N 2 1 332.488 3.306 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1OCC(C)C ZINC000262071284 455993291 /nfs/dbraw/zinc/99/32/91/455993291.db2.gz SDJODJVJFJDWAF-FQEVSTJZSA-N 2 1 332.488 3.306 20 0 EGADMP C[C@H](CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000272555422 455993477 /nfs/dbraw/zinc/99/34/77/455993477.db2.gz FXRMBFOWRJCLSP-SBHAEUEKSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000272555422 455993482 /nfs/dbraw/zinc/99/34/82/455993482.db2.gz FXRMBFOWRJCLSP-SBHAEUEKSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000272555422 455993487 /nfs/dbraw/zinc/99/34/87/455993487.db2.gz FXRMBFOWRJCLSP-SBHAEUEKSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262208933 456012182 /nfs/dbraw/zinc/01/21/82/456012182.db2.gz DTIMNPKPYZAHBJ-PTKMUVKOSA-N 2 1 349.563 3.013 20 0 EGADMP c1cc2c(ncnc2N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC000286283236 456016384 /nfs/dbraw/zinc/01/63/84/456016384.db2.gz IESXMQFANVTUDQ-HXUWFJFHSA-N 2 1 333.439 3.060 20 0 EGADMP c1cc2c(nc[nH+]c2N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC000286283236 456016387 /nfs/dbraw/zinc/01/63/87/456016387.db2.gz IESXMQFANVTUDQ-HXUWFJFHSA-N 2 1 333.439 3.060 20 0 EGADMP c1cc2c(nc[nH+]c2N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC000286283236 456016390 /nfs/dbraw/zinc/01/63/90/456016390.db2.gz IESXMQFANVTUDQ-HXUWFJFHSA-N 2 1 333.439 3.060 20 0 EGADMP COC(=O)c1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1Cl ZINC000296747657 456028417 /nfs/dbraw/zinc/02/84/17/456028417.db2.gz PLQKDXIRZYQVMC-GOSISDBHSA-N 2 1 336.863 3.044 20 0 EGADMP COC(=O)c1ccc([C@H](C)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000222122508 456044801 /nfs/dbraw/zinc/04/48/01/456044801.db2.gz NGFWHLVZFSFNQJ-OFQRWUPVSA-N 2 1 332.444 3.076 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)CC[N@H+]1C ZINC000280917145 456081055 /nfs/dbraw/zinc/08/10/55/456081055.db2.gz GYWCWQBWWZMRIQ-DZGCQCFKSA-N 2 1 330.394 3.243 20 0 EGADMP FC(F)(F)c1ccc([C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)cc1 ZINC000297007500 456089816 /nfs/dbraw/zinc/08/98/16/456089816.db2.gz PKSNKNYLXLEGQK-MRXNPFEDSA-N 2 1 328.378 3.078 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC2(C[NH+](C)C)CCC2)cc1)C(C)C ZINC000281135548 456143894 /nfs/dbraw/zinc/14/38/94/456143894.db2.gz UOKGNAGSCAUSQV-UHFFFAOYSA-N 2 1 331.504 3.131 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)c1 ZINC000236663519 456165715 /nfs/dbraw/zinc/16/57/15/456165715.db2.gz BUTVDYOVAUQBKP-QGZVFWFLSA-N 2 1 345.531 3.169 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH+](C2CCC2)CC1 ZINC000271206438 456172156 /nfs/dbraw/zinc/17/21/56/456172156.db2.gz WDECRRMHKPHZLY-UHFFFAOYSA-N 2 1 329.532 3.315 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2ccc(C[NH3+])o2)c1 ZINC000236727918 456176042 /nfs/dbraw/zinc/17/60/42/456176042.db2.gz XPDZWFQKDSYVAW-UHFFFAOYSA-N 2 1 343.471 3.290 20 0 EGADMP COc1cccc2c(NC[C@@H](O)C[NH+]3CCC(C)CC3)cc(C)[nH+]c12 ZINC000301670294 456180037 /nfs/dbraw/zinc/18/00/37/456180037.db2.gz NOMMMPMHCNSYRJ-MRXNPFEDSA-N 2 1 343.471 3.057 20 0 EGADMP FC(F)(F)COCc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000297336876 456189687 /nfs/dbraw/zinc/18/96/87/456189687.db2.gz DEKBKHSBVQLVOE-UHFFFAOYSA-N 2 1 342.405 3.482 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1)C(C)C ZINC000289956787 456193836 /nfs/dbraw/zinc/19/38/36/456193836.db2.gz PONHQSWTVGEMQS-OAQYLSRUSA-N 2 1 343.515 3.133 20 0 EGADMP COc1cccc2c(N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc(C)nc12 ZINC000301716417 456195965 /nfs/dbraw/zinc/19/59/65/456195965.db2.gz NFCXUOGFDXBFRQ-DOTOQJQBSA-N 2 1 325.456 3.472 20 0 EGADMP COc1cccc2c(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc(C)[nH+]c12 ZINC000301716417 456195968 /nfs/dbraw/zinc/19/59/68/456195968.db2.gz NFCXUOGFDXBFRQ-DOTOQJQBSA-N 2 1 325.456 3.472 20 0 EGADMP COc1cccc2c(N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc(C)[nH+]c12 ZINC000301716417 456195971 /nfs/dbraw/zinc/19/59/71/456195971.db2.gz NFCXUOGFDXBFRQ-DOTOQJQBSA-N 2 1 325.456 3.472 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(Nc2nc(N(C)C)cc[nH+]2)CC1 ZINC000301716703 456196327 /nfs/dbraw/zinc/19/63/27/456196327.db2.gz HEFDCUGHWRXWFN-HNNXBMFYSA-N 2 1 325.460 3.180 20 0 EGADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1[nH+]cnc2[nH]ccc21 ZINC000271284976 456205740 /nfs/dbraw/zinc/20/57/40/456205740.db2.gz DBRPYKMHJSDCTM-UHFFFAOYSA-N 2 1 336.443 3.096 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000301762335 456207850 /nfs/dbraw/zinc/20/78/50/456207850.db2.gz NESUWFXNJLJNAJ-SJORKVTESA-N 2 1 339.524 3.096 20 0 EGADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000281477206 456244599 /nfs/dbraw/zinc/24/45/99/456244599.db2.gz VFAPIGIINOYUNU-FQEVSTJZSA-N 2 1 340.515 3.427 20 0 EGADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000281477206 456244602 /nfs/dbraw/zinc/24/46/02/456244602.db2.gz VFAPIGIINOYUNU-FQEVSTJZSA-N 2 1 340.515 3.427 20 0 EGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000297635436 456268639 /nfs/dbraw/zinc/26/86/39/456268639.db2.gz IARFDLUHJFMROS-KRWDZBQOSA-N 2 1 343.515 3.446 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c(Cl)nc4ccccn43)C2)CC1 ZINC000290294951 456282429 /nfs/dbraw/zinc/28/24/29/456282429.db2.gz ARGBDVRBZOTXDB-HNNXBMFYSA-N 2 1 332.879 3.151 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)s1 ZINC000352765617 456287631 /nfs/dbraw/zinc/28/76/31/456287631.db2.gz PXNGBQSMFBFXMA-VQIMIIECSA-N 2 1 345.512 3.462 20 0 EGADMP CC[C@@H](C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1)[NH+]1CCCC1 ZINC000275789605 456314451 /nfs/dbraw/zinc/31/44/51/456314451.db2.gz YJNWGPDWIGMRMR-VQTJNVASSA-N 2 1 341.503 3.182 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(OC)c1OC ZINC000290393881 456315172 /nfs/dbraw/zinc/31/51/72/456315172.db2.gz IYULOCUGSOPSOM-UHFFFAOYSA-N 2 1 331.460 3.375 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(OC)c1OC ZINC000290393881 456315174 /nfs/dbraw/zinc/31/51/74/456315174.db2.gz IYULOCUGSOPSOM-UHFFFAOYSA-N 2 1 331.460 3.375 20 0 EGADMP CC1CC[NH+]([C@H](CNc2cc[nH+]cc2C(N)=O)c2cccs2)CC1 ZINC000302227445 456323305 /nfs/dbraw/zinc/32/33/05/456323305.db2.gz QILDJMMALHKBIW-MRXNPFEDSA-N 2 1 344.484 3.127 20 0 EGADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290421597 456324060 /nfs/dbraw/zinc/32/40/60/456324060.db2.gz KUAKJASFIUTSQT-OAHLLOKOSA-N 2 1 346.906 3.390 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cc[nH+]cc2C(N)=O)C1 ZINC000302230584 456324416 /nfs/dbraw/zinc/32/44/16/456324416.db2.gz RTOVHWAIWFLCDS-HNNXBMFYSA-N 2 1 338.455 3.025 20 0 EGADMP CCc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cn1 ZINC000352808640 456326549 /nfs/dbraw/zinc/32/65/49/456326549.db2.gz ASBXFWHEOPSXPG-QGZVFWFLSA-N 2 1 339.483 3.155 20 0 EGADMP CCc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cn1 ZINC000352808640 456326554 /nfs/dbraw/zinc/32/65/54/456326554.db2.gz ASBXFWHEOPSXPG-QGZVFWFLSA-N 2 1 339.483 3.155 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1OC(C)C ZINC000290434547 456327694 /nfs/dbraw/zinc/32/76/94/456327694.db2.gz LMRABXKUVYWESS-ZWKOTPCHSA-N 2 1 332.488 3.399 20 0 EGADMP COc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1OC(C)C ZINC000290434547 456327701 /nfs/dbraw/zinc/32/77/01/456327701.db2.gz LMRABXKUVYWESS-ZWKOTPCHSA-N 2 1 332.488 3.399 20 0 EGADMP COc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1OC(C)C ZINC000290434547 456327706 /nfs/dbraw/zinc/32/77/06/456327706.db2.gz LMRABXKUVYWESS-ZWKOTPCHSA-N 2 1 332.488 3.399 20 0 EGADMP c1[nH]nc2cc(C[N@H+](Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)ccc12 ZINC000275865381 456336810 /nfs/dbraw/zinc/33/68/10/456336810.db2.gz ZMCUNGSTZOYHAE-LJQANCHMSA-N 2 1 335.455 3.102 20 0 EGADMP c1[nH]nc2cc(C[N@@H+](Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)ccc12 ZINC000275865381 456336819 /nfs/dbraw/zinc/33/68/19/456336819.db2.gz ZMCUNGSTZOYHAE-LJQANCHMSA-N 2 1 335.455 3.102 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000337186873 456336982 /nfs/dbraw/zinc/33/69/82/456336982.db2.gz PQWURVJPHPXSPD-FHWLQOOXSA-N 2 1 340.552 3.259 20 0 EGADMP CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000347749131 456348317 /nfs/dbraw/zinc/34/83/17/456348317.db2.gz ABBMNZALYGPYJI-PMACEKPBSA-N 2 1 345.531 3.087 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)nn1C ZINC000337535559 456363053 /nfs/dbraw/zinc/36/30/53/456363053.db2.gz XSORNPBGCNTANV-QGZVFWFLSA-N 2 1 342.487 3.054 20 0 EGADMP CCC[N@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000347860878 456410716 /nfs/dbraw/zinc/41/07/16/456410716.db2.gz SIUROMOQDUJOFP-USXIJHARSA-N 2 1 337.533 3.230 20 0 EGADMP CCC[N@@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000347860878 456410723 /nfs/dbraw/zinc/41/07/23/456410723.db2.gz SIUROMOQDUJOFP-USXIJHARSA-N 2 1 337.533 3.230 20 0 EGADMP C[N@H+]1CC[C@H](NC[C@H]2CCCC[NH+]2C2CC2)C[C@@H]1c1ccccc1 ZINC000340372204 456420282 /nfs/dbraw/zinc/42/02/82/456420282.db2.gz NPBKYGWBQLRGJM-CEWLAPEOSA-N 2 1 327.516 3.428 20 0 EGADMP C[NH+]1CC[C@H](NC[C@H]2CCCC[N@@H+]2C2CC2)C[C@@H]1c1ccccc1 ZINC000340372204 456420288 /nfs/dbraw/zinc/42/02/88/456420288.db2.gz NPBKYGWBQLRGJM-CEWLAPEOSA-N 2 1 327.516 3.428 20 0 EGADMP C[NH+]1CC[C@H](NC[C@H]2CCCC[N@H+]2C2CC2)C[C@@H]1c1ccccc1 ZINC000340372204 456420295 /nfs/dbraw/zinc/42/02/95/456420295.db2.gz NPBKYGWBQLRGJM-CEWLAPEOSA-N 2 1 327.516 3.428 20 0 EGADMP CC(C)N(C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1CCCC1 ZINC000347939572 456427487 /nfs/dbraw/zinc/42/74/87/456427487.db2.gz UFKZERHGPQPZIF-QZTJIDSGSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)N(C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CCCC1 ZINC000347939572 456427493 /nfs/dbraw/zinc/42/74/93/456427493.db2.gz UFKZERHGPQPZIF-QZTJIDSGSA-N 2 1 349.563 3.409 20 0 EGADMP CSC1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000340398400 456437116 /nfs/dbraw/zinc/43/71/16/456437116.db2.gz ZWUGSHABVBNYNJ-RBUKOAKNSA-N 3 1 347.572 3.239 20 0 EGADMP CSC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000340398400 456437122 /nfs/dbraw/zinc/43/71/22/456437122.db2.gz ZWUGSHABVBNYNJ-RBUKOAKNSA-N 3 1 347.572 3.239 20 0 EGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC000282300163 456470373 /nfs/dbraw/zinc/47/03/73/456470373.db2.gz MGLBGPBQXGALOK-AWEZNQCLSA-N 2 1 343.437 3.382 20 0 EGADMP c1nc(SC2CCCC2)ncc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340519228 456505468 /nfs/dbraw/zinc/50/54/68/456505468.db2.gz VIYCLXWCDZIVBC-SJORKVTESA-N 2 1 346.544 3.270 20 0 EGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000282566839 456555216 /nfs/dbraw/zinc/55/52/16/456555216.db2.gz DWZYKSLDLSTBGS-UHFFFAOYSA-N 2 1 341.503 3.283 20 0 EGADMP Cc1cc(N2CCC([NH2+]C[C@H]3C[C@H]3c3ccccc3)CC2)nc(C)[nH+]1 ZINC000348250550 456569992 /nfs/dbraw/zinc/56/99/92/456569992.db2.gz WYQNTIPUEMOGKH-QUCCMNQESA-N 2 1 336.483 3.456 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000309821567 456576662 /nfs/dbraw/zinc/57/66/62/456576662.db2.gz PRCIQKRPUSWGBX-QQFBHYJXSA-N 2 1 327.513 3.141 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000309821567 456576671 /nfs/dbraw/zinc/57/66/71/456576671.db2.gz PRCIQKRPUSWGBX-QQFBHYJXSA-N 2 1 327.513 3.141 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000309796188 456577004 /nfs/dbraw/zinc/57/70/04/456577004.db2.gz ITBUULXAEMPIBE-JKSUJKDBSA-N 2 1 327.513 3.094 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000309796188 456577014 /nfs/dbraw/zinc/57/70/14/456577014.db2.gz ITBUULXAEMPIBE-JKSUJKDBSA-N 2 1 327.513 3.094 20 0 EGADMP Cn1cc(CCC[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000314059204 456600863 /nfs/dbraw/zinc/60/08/63/456600863.db2.gz YBSYIZSGTCBWLT-FQEVSTJZSA-N 2 1 340.515 3.245 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nc1C(F)F ZINC000348300751 456606041 /nfs/dbraw/zinc/60/60/41/456606041.db2.gz CKKONSZQVULJJD-UKRRQHHQSA-N 2 1 328.451 3.348 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)s2)cn1 ZINC000282744829 456611207 /nfs/dbraw/zinc/61/12/07/456611207.db2.gz GFRAOYYPOMVJBG-RHSMWYFYSA-N 2 1 330.501 3.065 20 0 EGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)s2)cn1 ZINC000282744829 456611213 /nfs/dbraw/zinc/61/12/13/456611213.db2.gz GFRAOYYPOMVJBG-RHSMWYFYSA-N 2 1 330.501 3.065 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(-c2cnn(C)c2)no1 ZINC000348322249 456621657 /nfs/dbraw/zinc/62/16/57/456621657.db2.gz PMRRFLJBFDZFBY-YJBOKZPZSA-N 2 1 345.491 3.065 20 0 EGADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000338000354 456648098 /nfs/dbraw/zinc/64/80/98/456648098.db2.gz QOLWLVPNGONYIJ-JKSUJKDBSA-N 2 1 340.458 3.112 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2cnn(C)c2)c1 ZINC000282880447 456653497 /nfs/dbraw/zinc/65/34/97/456653497.db2.gz WPENCKUBGZZGGH-GOSISDBHSA-N 2 1 338.499 3.313 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000338106972 456663207 /nfs/dbraw/zinc/66/32/07/456663207.db2.gz ZFUPCMPANSJLLF-UYAOXDASSA-N 2 1 341.499 3.028 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000338106972 456663214 /nfs/dbraw/zinc/66/32/14/456663214.db2.gz ZFUPCMPANSJLLF-UYAOXDASSA-N 2 1 341.499 3.028 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000338106972 456663220 /nfs/dbraw/zinc/66/32/20/456663220.db2.gz ZFUPCMPANSJLLF-UYAOXDASSA-N 2 1 341.499 3.028 20 0 EGADMP Clc1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)co2)cc1 ZINC000324532927 456668770 /nfs/dbraw/zinc/66/87/70/456668770.db2.gz YKEBHDTXRHWWOY-GASCZTMLSA-N 2 1 331.847 3.426 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000282952077 456673618 /nfs/dbraw/zinc/67/36/18/456673618.db2.gz HEWAMLPHYFPWNJ-YLJYHZDGSA-N 2 1 326.488 3.082 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000343579694 456720528 /nfs/dbraw/zinc/72/05/28/456720528.db2.gz DFPDEMIMGUMEHI-QGZVFWFLSA-N 2 1 331.504 3.017 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000343579694 456720532 /nfs/dbraw/zinc/72/05/32/456720532.db2.gz DFPDEMIMGUMEHI-QGZVFWFLSA-N 2 1 331.504 3.017 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000343579694 456720534 /nfs/dbraw/zinc/72/05/34/456720534.db2.gz DFPDEMIMGUMEHI-QGZVFWFLSA-N 2 1 331.504 3.017 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000343736187 456768758 /nfs/dbraw/zinc/76/87/58/456768758.db2.gz QBVPETAKALEMHQ-UHFFFAOYSA-N 2 1 344.421 3.409 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277353121 456790656 /nfs/dbraw/zinc/79/06/56/456790656.db2.gz WSOFGGNBHHXAHH-HNNXBMFYSA-N 2 1 335.517 3.153 20 0 EGADMP CCc1nc(C)c(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)o1 ZINC000291968081 456814230 /nfs/dbraw/zinc/81/42/30/456814230.db2.gz STICMDFFSABYGR-CQSZACIVSA-N 2 1 331.460 3.337 20 0 EGADMP CC[NH+](CC)CCC[NH+]1CCC([C@H](O)c2ccc(OC)cc2)CC1 ZINC000292029955 456835018 /nfs/dbraw/zinc/83/50/18/456835018.db2.gz YXQVPWNNKAKLRS-HXUWFJFHSA-N 2 1 334.504 3.173 20 0 EGADMP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353681947 456852233 /nfs/dbraw/zinc/85/22/33/456852233.db2.gz NANCEESASCYAAJ-IDGBJLRDSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000353681947 456852239 /nfs/dbraw/zinc/85/22/39/456852239.db2.gz NANCEESASCYAAJ-IDGBJLRDSA-N 2 1 329.532 3.359 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C)nc2sc(C)nn12 ZINC000344806930 456862097 /nfs/dbraw/zinc/86/20/97/456862097.db2.gz GIAPYQDXYKCACS-JKSUJKDBSA-N 2 1 349.548 3.398 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCCCOC)c2)C[C@@H]1C ZINC000353768792 456898579 /nfs/dbraw/zinc/89/85/79/456898579.db2.gz PQMLZGXPRDPCBV-PKOBYXMFSA-N 2 1 334.504 3.407 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCCCOC)c2)C[C@@H]1C ZINC000353768792 456898584 /nfs/dbraw/zinc/89/85/84/456898584.db2.gz PQMLZGXPRDPCBV-PKOBYXMFSA-N 2 1 334.504 3.407 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OCCCOC)c2)C[C@@H]1C ZINC000353768792 456898588 /nfs/dbraw/zinc/89/85/88/456898588.db2.gz PQMLZGXPRDPCBV-PKOBYXMFSA-N 2 1 334.504 3.407 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OCCCOC)c2)C[C@@H]1C ZINC000353768792 456898592 /nfs/dbraw/zinc/89/85/92/456898592.db2.gz PQMLZGXPRDPCBV-PKOBYXMFSA-N 2 1 334.504 3.407 20 0 EGADMP COc1ccc2nc(C[NH2+]CCCCn3cc[nH+]c3C)sc2c1 ZINC000353771556 456899909 /nfs/dbraw/zinc/89/99/09/456899909.db2.gz SZELQUFSPKZESO-UHFFFAOYSA-N 2 1 330.457 3.380 20 0 EGADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000349208345 456913414 /nfs/dbraw/zinc/91/34/14/456913414.db2.gz LSQMJZITUCVLGF-QFBILLFUSA-N 2 1 343.515 3.076 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339068773 456925529 /nfs/dbraw/zinc/92/55/29/456925529.db2.gz MYZFVNPXSOEYEV-UXHICEINSA-N 2 1 338.499 3.265 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068773 456925531 /nfs/dbraw/zinc/92/55/31/456925531.db2.gz MYZFVNPXSOEYEV-UXHICEINSA-N 2 1 338.499 3.265 20 0 EGADMP CC(C)[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cn1 ZINC000353842145 456931223 /nfs/dbraw/zinc/93/12/23/456931223.db2.gz MNXFCJXVPJPPIE-FCEWJHQRSA-N 2 1 337.483 3.397 20 0 EGADMP Cc1sccc1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000339187832 456983820 /nfs/dbraw/zinc/98/38/20/456983820.db2.gz ZRBQRZWTFWWTJF-UHFFFAOYSA-N 2 1 329.513 3.094 20 0 EGADMP c1cn2c(cccc2C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000356512711 457029919 /nfs/dbraw/zinc/02/99/19/457029919.db2.gz BEJDZBVHRCLXQU-WOJBJXKFSA-N 2 1 346.478 3.288 20 0 EGADMP c1cn2c(cccc2C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000356512711 457029925 /nfs/dbraw/zinc/02/99/25/457029925.db2.gz BEJDZBVHRCLXQU-WOJBJXKFSA-N 2 1 346.478 3.288 20 0 EGADMP c1cn2c(cccc2C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000356512711 457029931 /nfs/dbraw/zinc/02/99/31/457029931.db2.gz BEJDZBVHRCLXQU-WOJBJXKFSA-N 2 1 346.478 3.288 20 0 EGADMP c1cn2c(cccc2C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000356512711 457029938 /nfs/dbraw/zinc/02/99/38/457029938.db2.gz BEJDZBVHRCLXQU-WOJBJXKFSA-N 2 1 346.478 3.288 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000354078621 457047316 /nfs/dbraw/zinc/04/73/16/457047316.db2.gz VMNGXCJUTAJWOD-INIZCTEOSA-N 2 1 337.533 3.343 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000354109305 457068759 /nfs/dbraw/zinc/06/87/59/457068759.db2.gz ZSNAYOYXNMZPLV-HNNXBMFYSA-N 2 1 339.549 3.373 20 0 EGADMP CO[C@H]1CC[N@H+](CCCCc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000339410700 457097583 /nfs/dbraw/zinc/09/75/83/457097583.db2.gz SFFJCYZDYKKCKZ-SJORKVTESA-N 2 1 344.421 3.466 20 0 EGADMP CO[C@H]1CC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000339410700 457097592 /nfs/dbraw/zinc/09/75/92/457097592.db2.gz SFFJCYZDYKKCKZ-SJORKVTESA-N 2 1 344.421 3.466 20 0 EGADMP Cc1ccc(-c2noc([C@H](C)[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)n2)cc1F ZINC000342105272 457110344 /nfs/dbraw/zinc/11/03/44/457110344.db2.gz OFFOBGVZJYKIAA-NZUILWFCSA-N 2 1 344.434 3.304 20 0 EGADMP Cc1ccc(-c2noc([C@H](C)[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)n2)cc1F ZINC000342105272 457110352 /nfs/dbraw/zinc/11/03/52/457110352.db2.gz OFFOBGVZJYKIAA-NZUILWFCSA-N 2 1 344.434 3.304 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000346692885 457114830 /nfs/dbraw/zinc/11/48/30/457114830.db2.gz JOEUTBUBWABJPZ-DNVCBOLYSA-N 2 1 326.488 3.026 20 0 EGADMP COc1cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1OC(F)F ZINC000339437299 457118139 /nfs/dbraw/zinc/11/81/39/457118139.db2.gz MYHXIKMUBGQDPS-GOSISDBHSA-N 2 1 340.414 3.214 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000362872229 457136322 /nfs/dbraw/zinc/13/63/22/457136322.db2.gz POGMELGPEMQWLL-OALUTQOASA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000362872229 457136328 /nfs/dbraw/zinc/13/63/28/457136328.db2.gz POGMELGPEMQWLL-OALUTQOASA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000362872229 457136334 /nfs/dbraw/zinc/13/63/34/457136334.db2.gz POGMELGPEMQWLL-OALUTQOASA-N 2 1 349.563 3.412 20 0 EGADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000359920456 457149356 /nfs/dbraw/zinc/14/93/56/457149356.db2.gz ZWJCMZULPVPDAV-HNNXBMFYSA-N 2 1 332.492 3.305 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000359923437 457150553 /nfs/dbraw/zinc/15/05/53/457150553.db2.gz CXUARTLCLYGDPH-IXDOHACOSA-N 2 1 332.488 3.476 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000359923437 457150556 /nfs/dbraw/zinc/15/05/56/457150556.db2.gz CXUARTLCLYGDPH-IXDOHACOSA-N 2 1 332.488 3.476 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)c1 ZINC000362931102 457161517 /nfs/dbraw/zinc/16/15/17/457161517.db2.gz PJZMJTGXRIBOGO-XLIONFOSSA-N 2 1 345.531 3.123 20 0 EGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000362931102 457161522 /nfs/dbraw/zinc/16/15/22/457161522.db2.gz PJZMJTGXRIBOGO-XLIONFOSSA-N 2 1 345.531 3.123 20 0 EGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000362931102 457161528 /nfs/dbraw/zinc/16/15/28/457161528.db2.gz PJZMJTGXRIBOGO-XLIONFOSSA-N 2 1 345.531 3.123 20 0 EGADMP FC(F)(F)c1csc([C@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000347003441 457196637 /nfs/dbraw/zinc/19/66/37/457196637.db2.gz LKTFJZLBROOQLH-NEPJUHHUSA-N 2 1 333.423 3.341 20 0 EGADMP CC[NH+](CC)CCOc1ccc(CNc2nc(C)[nH+]c(C)c2C)cc1 ZINC000354424339 457213394 /nfs/dbraw/zinc/21/33/94/457213394.db2.gz RADGLUQGDLJPGD-UHFFFAOYSA-N 2 1 342.487 3.156 20 0 EGADMP CCC[N@@H+](Cc1cc(Cl)c(OC)c(OC)c1)C1CC[NH2+]CC1 ZINC000347092912 457226374 /nfs/dbraw/zinc/22/63/74/457226374.db2.gz GIJUZAFLBDVNJC-UHFFFAOYSA-N 2 1 326.868 3.321 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC2(C)CC[NH+](C)CC2)cc1)C1CC1 ZINC000356981469 457256390 /nfs/dbraw/zinc/25/63/90/457256390.db2.gz MZKFUWJMKRBBFR-UHFFFAOYSA-N 2 1 343.515 3.133 20 0 EGADMP CC[C@@H]1C[C@@H](C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000356989063 457261098 /nfs/dbraw/zinc/26/10/98/457261098.db2.gz KVMSIRIFWUBLBK-KVPLUYHFSA-N 2 1 338.536 3.013 20 0 EGADMP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000357076387 457308617 /nfs/dbraw/zinc/30/86/17/457308617.db2.gz IQECBWDCPVHQJD-GOSISDBHSA-N 2 1 335.536 3.023 20 0 EGADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000363391368 457309459 /nfs/dbraw/zinc/30/94/59/457309459.db2.gz RCRMUJHRHDBMBN-LJQANCHMSA-N 2 1 341.499 3.029 20 0 EGADMP CC[N@H+](CCC1CC[NH+](Cc2occc2C(=O)OC)CC1)CC1CC1 ZINC000357088282 457315672 /nfs/dbraw/zinc/31/56/72/457315672.db2.gz RDGTYFGPTCLZAS-UHFFFAOYSA-N 2 1 348.487 3.400 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2occc2C(=O)OC)CC1)CC1CC1 ZINC000357088282 457315677 /nfs/dbraw/zinc/31/56/77/457315677.db2.gz RDGTYFGPTCLZAS-UHFFFAOYSA-N 2 1 348.487 3.400 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OCC(C)C ZINC000357109414 457326964 /nfs/dbraw/zinc/32/69/64/457326964.db2.gz VWSPMWBYNRXKKK-QZTJIDSGSA-N 2 1 332.488 3.161 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OCC(C)C ZINC000357109414 457326972 /nfs/dbraw/zinc/32/69/72/457326972.db2.gz VWSPMWBYNRXKKK-QZTJIDSGSA-N 2 1 332.488 3.161 20 0 EGADMP Cc1cnc([C@H](C)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000352447226 457374482 /nfs/dbraw/zinc/37/44/82/457374482.db2.gz JNUVTPRJWSOCAD-QXAKKESOSA-N 2 1 325.456 3.498 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379674384 457418685 /nfs/dbraw/zinc/41/86/85/457418685.db2.gz UGRLTJVDIJIJHU-HOJAQTOUSA-N 2 1 345.531 3.167 20 0 EGADMP CC[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccc(Cl)cc1 ZINC000352520150 457435796 /nfs/dbraw/zinc/43/57/96/457435796.db2.gz VTWGSAVSKQMQBP-DLBZAZTESA-N 2 1 337.895 3.111 20 0 EGADMP CC[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccc(Cl)cc1 ZINC000352520150 457435803 /nfs/dbraw/zinc/43/58/03/457435803.db2.gz VTWGSAVSKQMQBP-DLBZAZTESA-N 2 1 337.895 3.111 20 0 EGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000352540676 457450954 /nfs/dbraw/zinc/45/09/54/457450954.db2.gz OBZXPAIQGICGJC-ZDUSSCGKSA-N 2 1 334.357 3.470 20 0 EGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000352540676 457450957 /nfs/dbraw/zinc/45/09/57/457450957.db2.gz OBZXPAIQGICGJC-ZDUSSCGKSA-N 2 1 334.357 3.470 20 0 EGADMP CC[C@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000425232690 457466610 /nfs/dbraw/zinc/46/66/10/457466610.db2.gz FPICVQIGZVAZJE-FXAWDEMLSA-N 2 1 345.531 3.086 20 0 EGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1OC(F)F ZINC000397296690 457485915 /nfs/dbraw/zinc/48/59/15/457485915.db2.gz BRRFORVBZSSPMQ-SCRDCRAPSA-N 2 1 328.403 3.102 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000342758516 457503959 /nfs/dbraw/zinc/50/39/59/457503959.db2.gz UICISIKMECLSTE-UWVAXJGDSA-N 2 1 343.515 3.065 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000357409137 457504018 /nfs/dbraw/zinc/50/40/18/457504018.db2.gz HOPOBWRZZVGGJN-VQIMIIECSA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000357409137 457504021 /nfs/dbraw/zinc/50/40/21/457504021.db2.gz HOPOBWRZZVGGJN-VQIMIIECSA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000357409137 457504028 /nfs/dbraw/zinc/50/40/28/457504028.db2.gz HOPOBWRZZVGGJN-VQIMIIECSA-N 2 1 331.504 3.131 20 0 EGADMP CCSc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000364229679 457535535 /nfs/dbraw/zinc/53/55/35/457535535.db2.gz XYYZZQXFJUYJFI-BHIYHBOVSA-N 2 1 334.529 3.482 20 0 EGADMP CCSc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000364229679 457535538 /nfs/dbraw/zinc/53/55/38/457535538.db2.gz XYYZZQXFJUYJFI-BHIYHBOVSA-N 2 1 334.529 3.482 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)s1 ZINC000352712818 457551662 /nfs/dbraw/zinc/55/16/62/457551662.db2.gz PURXCTZCHDQORV-INIZCTEOSA-N 2 1 344.528 3.211 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000374271675 457559266 /nfs/dbraw/zinc/55/92/66/457559266.db2.gz UOAKPMSTAYLOAO-FPOVZHCZSA-N 2 1 346.515 3.072 20 0 EGADMP CSc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000356310030 457567531 /nfs/dbraw/zinc/56/75/31/457567531.db2.gz WQZSVGGCQQTYHU-CQSZACIVSA-N 2 1 339.574 3.070 20 0 EGADMP Cc1ccccc1[C@@H]([C@H](C)NCc1ncc(C[NH+](C)C)s1)[NH+](C)C ZINC000352737636 457570488 /nfs/dbraw/zinc/57/04/88/457570488.db2.gz KTKXVJJCXOUZNY-HNAYVOBHSA-N 2 1 346.544 3.294 20 0 EGADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000370306223 457615211 /nfs/dbraw/zinc/61/52/11/457615211.db2.gz UCXLSFRIRMGLFK-QHAWAJNXSA-N 2 1 330.516 3.346 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1ccnc1 ZINC000374516776 457646979 /nfs/dbraw/zinc/64/69/79/457646979.db2.gz AAEVFOKRXSAZMF-LJQANCHMSA-N 2 1 326.488 3.164 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1ccnc1 ZINC000374516776 457646983 /nfs/dbraw/zinc/64/69/83/457646983.db2.gz AAEVFOKRXSAZMF-LJQANCHMSA-N 2 1 326.488 3.164 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC[N@@H+]1C ZINC000370616199 457682487 /nfs/dbraw/zinc/68/24/87/457682487.db2.gz PPBHPBXUSNPDEC-VNQPRFMTSA-N 2 1 341.421 3.356 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC[N@H+]1C ZINC000370616199 457682488 /nfs/dbraw/zinc/68/24/88/457682488.db2.gz PPBHPBXUSNPDEC-VNQPRFMTSA-N 2 1 341.421 3.356 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2sc(C)nc2C)[C@@H](C)C1 ZINC000361307542 457687485 /nfs/dbraw/zinc/68/74/85/457687485.db2.gz BCHDKKBFWXNJCE-WMLDXEAASA-N 2 1 339.549 3.029 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000357843612 457709561 /nfs/dbraw/zinc/70/95/61/457709561.db2.gz DIEUWTJDICXSMH-CYBMUJFWSA-N 2 1 346.393 3.347 20 0 EGADMP COc1cccc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000365356311 457747930 /nfs/dbraw/zinc/74/79/30/457747930.db2.gz HAYJPFRPDQMXKP-SFHVURJKSA-N 2 1 325.456 3.092 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000433075517 457750783 /nfs/dbraw/zinc/75/07/83/457750783.db2.gz KYZKKVZFRWTLDS-OAQYLSRUSA-N 2 1 329.532 3.282 20 0 EGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000358056688 457758370 /nfs/dbraw/zinc/75/83/70/457758370.db2.gz DZAJHLUEVCLFOH-CQSZACIVSA-N 2 1 329.488 3.440 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(SC(C)C)cc3)C2)CC1 ZINC000358071990 457767254 /nfs/dbraw/zinc/76/72/54/457767254.db2.gz XXKLNXIIWIVEAW-LJQANCHMSA-N 2 1 347.572 3.399 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccnc(C[NH3+])c3)cc2)C1 ZINC000361610001 457804885 /nfs/dbraw/zinc/80/48/85/457804885.db2.gz KZJRGQGBFSVOOX-HNNXBMFYSA-N 2 1 338.455 3.025 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2csc(C(=O)OC)c2)CC1 ZINC000411185340 457823992 /nfs/dbraw/zinc/82/39/92/457823992.db2.gz WCJNQCTZXOEFHE-UHFFFAOYSA-N 2 1 338.517 3.479 20 0 EGADMP CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411230558 457836697 /nfs/dbraw/zinc/83/66/97/457836697.db2.gz YWJIGICIIDIXNY-HXUWFJFHSA-N 2 1 343.515 3.163 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(F)cc2cccnc21 ZINC000371296367 457853587 /nfs/dbraw/zinc/85/35/87/457853587.db2.gz YWZFBXQXMBLHPL-CEXWTWQISA-N 2 1 343.446 3.057 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(F)cc2cccnc21 ZINC000371296367 457853589 /nfs/dbraw/zinc/85/35/89/457853589.db2.gz YWZFBXQXMBLHPL-CEXWTWQISA-N 2 1 343.446 3.057 20 0 EGADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000358248940 457886369 /nfs/dbraw/zinc/88/63/69/457886369.db2.gz HUZRHYIDZBGLJY-HZPDHXFCSA-N 2 1 329.271 3.101 20 0 EGADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000358248940 457886376 /nfs/dbraw/zinc/88/63/76/457886376.db2.gz HUZRHYIDZBGLJY-HZPDHXFCSA-N 2 1 329.271 3.101 20 0 EGADMP C[N@@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccc(Cl)cc1)CC2 ZINC000411448498 457892249 /nfs/dbraw/zinc/89/22/49/457892249.db2.gz RPBYVEQKXBCUKL-UHFFFAOYSA-N 2 1 335.879 3.229 20 0 EGADMP C[N@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccc(Cl)cc1)CC2 ZINC000411448498 457892252 /nfs/dbraw/zinc/89/22/52/457892252.db2.gz RPBYVEQKXBCUKL-UHFFFAOYSA-N 2 1 335.879 3.229 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2C)C[C@@H]1C ZINC000361836537 457897173 /nfs/dbraw/zinc/89/71/73/457897173.db2.gz GGLKSIZREJXTRE-PKOBYXMFSA-N 2 1 326.488 3.485 20 0 EGADMP CCN1CC[C@@H]([N@H+](C)Cc2ccc(-n3ccnc3)cc2C)C[C@@H]1C ZINC000361836537 457897188 /nfs/dbraw/zinc/89/71/88/457897188.db2.gz GGLKSIZREJXTRE-PKOBYXMFSA-N 3 1 326.488 3.485 20 0 EGADMP CCN1CC[C@@H]([N@@H+](C)Cc2ccc(-n3ccnc3)cc2C)C[C@@H]1C ZINC000361836537 457897191 /nfs/dbraw/zinc/89/71/91/457897191.db2.gz GGLKSIZREJXTRE-PKOBYXMFSA-N 3 1 326.488 3.485 20 0 EGADMP CCc1ccccc1CC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000444610829 457918717 /nfs/dbraw/zinc/91/87/17/457918717.db2.gz PYXYEUGYYAIHLA-BGYRXZFFSA-N 2 1 343.559 3.282 20 0 EGADMP O[C@@]1(C[NH2+][C@@H]2CCCc3sccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000361876064 457922888 /nfs/dbraw/zinc/92/28/88/457922888.db2.gz CJPYCFRFBGVPHU-UYAOXDASSA-N 2 1 342.508 3.352 20 0 EGADMP O[C@@]1(C[NH2+][C@@H]2CCCc3sccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000361876064 457922893 /nfs/dbraw/zinc/92/28/93/457922893.db2.gz CJPYCFRFBGVPHU-UYAOXDASSA-N 2 1 342.508 3.352 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@]2(CCOC2)O1 ZINC000411661081 457941616 /nfs/dbraw/zinc/94/16/16/457941616.db2.gz LMOQSYXXVPBYRT-RXVVDRJESA-N 2 1 344.499 3.052 20 0 EGADMP C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)CCO2 ZINC000411658182 457942072 /nfs/dbraw/zinc/94/20/72/457942072.db2.gz KPQHSIVACYYSTJ-RXVVDRJESA-N 2 1 344.499 3.052 20 0 EGADMP CC(C)[N@@H+](CCC[NH+]1CCCCC1)C[C@@H](O)COc1ccccc1 ZINC000444811502 457983397 /nfs/dbraw/zinc/98/33/97/457983397.db2.gz IBJZMSZBLOSPRF-LJQANCHMSA-N 2 1 334.504 3.013 20 0 EGADMP CCC[C@@H](NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358503869 458043428 /nfs/dbraw/zinc/04/34/28/458043428.db2.gz HDUZJLQHPVDJNI-PKOBYXMFSA-N 2 1 343.515 3.108 20 0 EGADMP CC(C)COC[C@H](O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000375801370 458070316 /nfs/dbraw/zinc/07/03/16/458070316.db2.gz JMTBVYMHYHUJNG-XVAXZDLZSA-N 2 1 348.531 3.053 20 0 EGADMP FC(F)(F)c1cccc(OCCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428045771 458071715 /nfs/dbraw/zinc/07/17/15/458071715.db2.gz RGAWKXCLZRYCDU-XJKSGUPXSA-N 2 1 328.378 3.158 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000358554783 458073662 /nfs/dbraw/zinc/07/36/62/458073662.db2.gz KPTPMIRLJYKXCN-QGZVFWFLSA-N 2 1 331.504 3.019 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH2+][C@](C)(Cc1ccccc1)c1ccccc1)C1CC1 ZINC000412112492 458095981 /nfs/dbraw/zinc/09/59/81/458095981.db2.gz VRBWSWRNKOOILL-FCHUYYIVSA-N 2 1 338.495 3.189 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@](C)(Cc1ccccc1)c1ccccc1)C1CC1 ZINC000412112492 458095987 /nfs/dbraw/zinc/09/59/87/458095987.db2.gz VRBWSWRNKOOILL-FCHUYYIVSA-N 2 1 338.495 3.189 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000435369242 458121127 /nfs/dbraw/zinc/12/11/27/458121127.db2.gz DTUHBMJCPSGLAK-ZBFHGGJFSA-N 2 1 345.874 3.483 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000435369242 458121131 /nfs/dbraw/zinc/12/11/31/458121131.db2.gz DTUHBMJCPSGLAK-ZBFHGGJFSA-N 2 1 345.874 3.483 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000435372548 458121737 /nfs/dbraw/zinc/12/17/37/458121737.db2.gz RWEQPSVMJHLOIY-IAGOWNOFSA-N 2 1 347.466 3.103 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)cc2)cs1 ZINC000435370536 458121954 /nfs/dbraw/zinc/12/19/54/458121954.db2.gz JFKMESWJSMOTRJ-XJKSGUPXSA-N 2 1 331.485 3.200 20 0 EGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000435370016 458122954 /nfs/dbraw/zinc/12/29/54/458122954.db2.gz HIDQCQCKOSVZJN-DLBZAZTESA-N 2 1 347.466 3.103 20 0 EGADMP C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@@H]1[NH3+] ZINC000435373321 458124243 /nfs/dbraw/zinc/12/42/43/458124243.db2.gz DMUAYJXRDIKOMP-YJBOKZPZSA-N 2 1 326.488 3.339 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@@H]1[NH3+] ZINC000435373321 458124248 /nfs/dbraw/zinc/12/42/48/458124248.db2.gz DMUAYJXRDIKOMP-YJBOKZPZSA-N 2 1 326.488 3.339 20 0 EGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000435377108 458125924 /nfs/dbraw/zinc/12/59/24/458125924.db2.gz YBSJUCKLSQYSIH-LJQANCHMSA-N 2 1 340.467 3.316 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000435377108 458125930 /nfs/dbraw/zinc/12/59/30/458125930.db2.gz YBSJUCKLSQYSIH-LJQANCHMSA-N 2 1 340.467 3.316 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000435378202 458129038 /nfs/dbraw/zinc/12/90/38/458129038.db2.gz CUGPYMZIJMDHOV-GOSISDBHSA-N 2 1 326.440 3.055 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000435378202 458129044 /nfs/dbraw/zinc/12/90/44/458129044.db2.gz CUGPYMZIJMDHOV-GOSISDBHSA-N 2 1 326.440 3.055 20 0 EGADMP Cc1nc(COc2ccc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc2)cs1 ZINC000435391775 458135714 /nfs/dbraw/zinc/13/57/14/458135714.db2.gz UGBXKYHTKQBDDO-IPELMVKDSA-N 2 1 343.496 3.200 20 0 EGADMP COc1c(Br)cccc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435432069 458145337 /nfs/dbraw/zinc/14/53/37/458145337.db2.gz HIVBTYZESUTZNF-ZDUSSCGKSA-N 2 1 327.266 3.032 20 0 EGADMP COc1c(Br)cccc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435432069 458145344 /nfs/dbraw/zinc/14/53/44/458145344.db2.gz HIVBTYZESUTZNF-ZDUSSCGKSA-N 2 1 327.266 3.032 20 0 EGADMP C[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435612103 458172479 /nfs/dbraw/zinc/17/24/79/458172479.db2.gz DQRIBJDRQMPIKS-HNNXBMFYSA-N 2 1 334.851 3.006 20 0 EGADMP C[N@@H+](CCC(=O)Nc1cccc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000435621458 458174090 /nfs/dbraw/zinc/17/40/90/458174090.db2.gz LNEYOUCJVSIQPV-KRWDZBQOSA-N 2 1 325.456 3.242 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000435931431 458225895 /nfs/dbraw/zinc/22/58/95/458225895.db2.gz WAMWGDVCGVJZRY-UHFFFAOYSA-N 2 1 335.467 3.267 20 0 EGADMP CCc1nc(C)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000428982654 458245876 /nfs/dbraw/zinc/24/58/76/458245876.db2.gz UCQZWHVWQJPBJV-RBUKOAKNSA-N 2 1 339.483 3.499 20 0 EGADMP CCc1nc(C)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000428982654 458245880 /nfs/dbraw/zinc/24/58/80/458245880.db2.gz UCQZWHVWQJPBJV-RBUKOAKNSA-N 2 1 339.483 3.499 20 0 EGADMP CCc1nc(C)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000428982654 458245886 /nfs/dbraw/zinc/24/58/86/458245886.db2.gz UCQZWHVWQJPBJV-RBUKOAKNSA-N 2 1 339.483 3.499 20 0 EGADMP CCc1nc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000428982654 458245892 /nfs/dbraw/zinc/24/58/92/458245892.db2.gz UCQZWHVWQJPBJV-RBUKOAKNSA-N 2 1 339.483 3.499 20 0 EGADMP C[C@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1cccc(Cl)c1 ZINC000372677082 458314794 /nfs/dbraw/zinc/31/47/94/458314794.db2.gz SNBUTHZZNQOXHB-APWZRJJASA-N 2 1 335.923 3.155 20 0 EGADMP C[C@H](C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1cccc(Cl)c1 ZINC000372677082 458314817 /nfs/dbraw/zinc/31/48/17/458314817.db2.gz SNBUTHZZNQOXHB-APWZRJJASA-N 2 1 335.923 3.155 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@H+](CCOc2cccc(Br)c2)CC1 ZINC000429532945 458341841 /nfs/dbraw/zinc/34/18/41/458341841.db2.gz YTXCEISEHXKZBZ-HNNXBMFYSA-N 2 1 341.293 3.244 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCOc2cccc(Br)c2)CC1 ZINC000429532945 458341845 /nfs/dbraw/zinc/34/18/45/458341845.db2.gz YTXCEISEHXKZBZ-HNNXBMFYSA-N 2 1 341.293 3.244 20 0 EGADMP C[C@@H]1CN(c2ccccc2C[N@H+](C)CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000459376828 458349946 /nfs/dbraw/zinc/34/99/46/458349946.db2.gz NUSJLVHMIUPLPD-UYAOXDASSA-N 2 1 345.531 3.218 20 0 EGADMP C[C@@H]1CN(c2ccccc2C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000459376828 458349951 /nfs/dbraw/zinc/34/99/51/458349951.db2.gz NUSJLVHMIUPLPD-UYAOXDASSA-N 2 1 345.531 3.218 20 0 EGADMP C[C@@H]1CN(c2ccccc2C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000459376828 458349955 /nfs/dbraw/zinc/34/99/55/458349955.db2.gz NUSJLVHMIUPLPD-UYAOXDASSA-N 2 1 345.531 3.218 20 0 EGADMP C[C@@H]1CN(c2ccccc2C[NH+](C)CC[C@H]2CCCC[N@H+]2C)CCO1 ZINC000459376828 458349960 /nfs/dbraw/zinc/34/99/60/458349960.db2.gz NUSJLVHMIUPLPD-UYAOXDASSA-N 2 1 345.531 3.218 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[C@@H]1SC ZINC000459424094 458365609 /nfs/dbraw/zinc/36/56/09/458365609.db2.gz KUBGMYNKGXIMCN-PKOFMYQESA-N 2 1 348.556 3.396 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[C@@H]1SC ZINC000459424094 458365614 /nfs/dbraw/zinc/36/56/14/458365614.db2.gz KUBGMYNKGXIMCN-PKOFMYQESA-N 2 1 348.556 3.396 20 0 EGADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000373022384 458378438 /nfs/dbraw/zinc/37/84/38/458378438.db2.gz UFCKJTOTEXVCME-HXUWFJFHSA-N 2 1 343.515 3.162 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000459474384 458383862 /nfs/dbraw/zinc/38/38/62/458383862.db2.gz XSULJLDZPMCCTI-FQEVSTJZSA-N 2 1 344.886 3.239 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCC3)CCN1C1CC[NH+](C)CC1 ZINC000430078989 458398187 /nfs/dbraw/zinc/39/81/87/458398187.db2.gz UGKJUGLNIBMNTD-SFHVURJKSA-N 2 1 341.543 3.166 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2Cc3sccc3CC2(C)C)CC1 ZINC000459586554 458421255 /nfs/dbraw/zinc/42/12/55/458421255.db2.gz UGHZZZIDRQHQQG-UHFFFAOYSA-N 2 1 335.561 3.301 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459661587 458439183 /nfs/dbraw/zinc/43/91/83/458439183.db2.gz MOSNMQJWHFXITI-GJZGRUSLSA-N 2 1 334.426 3.152 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459661587 458439186 /nfs/dbraw/zinc/43/91/86/458439186.db2.gz MOSNMQJWHFXITI-GJZGRUSLSA-N 2 1 334.426 3.152 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459661587 458439189 /nfs/dbraw/zinc/43/91/89/458439189.db2.gz MOSNMQJWHFXITI-GJZGRUSLSA-N 2 1 334.426 3.152 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CNCCN1C)c1ccc(Oc2ccccc2)cc1 ZINC000423485127 458441444 /nfs/dbraw/zinc/44/14/44/458441444.db2.gz VEAUNCOPSZISAU-SJLPKXTDSA-N 2 1 325.456 3.033 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000423486708 458441530 /nfs/dbraw/zinc/44/15/30/458441530.db2.gz BXSFFBMCVASJPC-CVEARBPZSA-N 2 1 330.394 3.371 20 0 EGADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000423504289 458444794 /nfs/dbraw/zinc/44/47/94/458444794.db2.gz KYBDGFCQCYOHSX-LLVBAIKDSA-N 3 1 341.543 3.394 20 0 EGADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423531083 458452807 /nfs/dbraw/zinc/45/28/07/458452807.db2.gz QEFWWLRQYGSMCU-RSPOEFSDSA-N 2 1 344.499 3.234 20 0 EGADMP Cc1ccc([C@@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000423572785 458457827 /nfs/dbraw/zinc/45/78/27/458457827.db2.gz OMTZDNLAFIHAOH-QGZVFWFLSA-N 2 1 327.472 3.232 20 0 EGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000459735806 458462370 /nfs/dbraw/zinc/46/23/70/458462370.db2.gz PSFMKEBBYSOAIP-AEFFLSMTSA-N 2 1 331.504 3.342 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430574512 458463069 /nfs/dbraw/zinc/46/30/69/458463069.db2.gz SVXQDDDAYODBJL-APWZRJJASA-N 2 1 337.467 3.498 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430574512 458463073 /nfs/dbraw/zinc/46/30/73/458463073.db2.gz SVXQDDDAYODBJL-APWZRJJASA-N 2 1 337.467 3.498 20 0 EGADMP O=C(CC[NH+]1CCC([NH2+]CC2CC2)CC1)Nc1ccc(Cl)cc1 ZINC000430575410 458463895 /nfs/dbraw/zinc/46/38/95/458463895.db2.gz KZCCDZFEDFJPJC-UHFFFAOYSA-N 2 1 335.879 3.133 20 0 EGADMP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)n2)cc1F ZINC000430571092 458464097 /nfs/dbraw/zinc/46/40/97/458464097.db2.gz LDVOZMYSWTUKNC-GOEBONIOSA-N 2 1 346.450 3.176 20 0 EGADMP COc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(SC)cc1OC ZINC000459739179 458464245 /nfs/dbraw/zinc/46/42/45/458464245.db2.gz SGOXBODXQMAUHS-CQSZACIVSA-N 2 1 338.517 3.247 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000459743176 458465613 /nfs/dbraw/zinc/46/56/13/458465613.db2.gz WUEAWKBRINSVCJ-SFHVURJKSA-N 2 1 339.483 3.482 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000430586060 458466201 /nfs/dbraw/zinc/46/62/01/458466201.db2.gz XXDKBEZKEUTCJZ-BQFCYCMXSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000430586060 458466205 /nfs/dbraw/zinc/46/62/05/458466205.db2.gz XXDKBEZKEUTCJZ-BQFCYCMXSA-N 2 1 339.483 3.076 20 0 EGADMP CC[NH2+]CC1CC[NH+]([C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000430597141 458468723 /nfs/dbraw/zinc/46/87/23/458468723.db2.gz PRZAUMDQGHEVHX-OAHLLOKOSA-N 2 1 328.460 3.043 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000430602227 458469453 /nfs/dbraw/zinc/46/94/53/458469453.db2.gz VVMHHMIVCIELQD-UXLLHSPISA-N 2 1 345.487 3.304 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000430602227 458469458 /nfs/dbraw/zinc/46/94/58/458469458.db2.gz VVMHHMIVCIELQD-UXLLHSPISA-N 2 1 345.487 3.304 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000430641807 458474658 /nfs/dbraw/zinc/47/46/58/458474658.db2.gz UJBSIDQCDJKFJL-KRWDZBQOSA-N 2 1 334.467 3.433 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000430641807 458474663 /nfs/dbraw/zinc/47/46/63/458474663.db2.gz UJBSIDQCDJKFJL-KRWDZBQOSA-N 2 1 334.467 3.433 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000430662663 458476431 /nfs/dbraw/zinc/47/64/31/458476431.db2.gz IOUMQTZZODIXDY-GOSISDBHSA-N 2 1 325.456 3.092 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000430662663 458476436 /nfs/dbraw/zinc/47/64/36/458476436.db2.gz IOUMQTZZODIXDY-GOSISDBHSA-N 2 1 325.456 3.092 20 0 EGADMP CCCc1cc(N2CCC[N@H+]([C@H](C)CO)CC2)c2ccccc2[nH+]1 ZINC000468750356 458533407 /nfs/dbraw/zinc/53/34/07/458533407.db2.gz YNAPNWMPOCQENG-MRXNPFEDSA-N 2 1 327.472 3.080 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424139865 458567725 /nfs/dbraw/zinc/56/77/25/458567725.db2.gz FPCQUOORZKBJKT-RTBURBONSA-N 2 1 337.552 3.158 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CC[C@H]([NH3+])CC3CCCCC3)CC[C@H]21 ZINC000424171848 458576508 /nfs/dbraw/zinc/57/65/08/458576508.db2.gz LKLIKJSRMOUCGH-CEXWTWQISA-N 2 1 335.536 3.007 20 0 EGADMP CC1CC[NH+](CCCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000431597599 458594647 /nfs/dbraw/zinc/59/46/47/458594647.db2.gz UWQUDGAJZKGATF-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC1CC[NH+](CCCCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000438553600 458596549 /nfs/dbraw/zinc/59/65/49/458596549.db2.gz LPJGZZUJPCTTBG-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424286032 458604470 /nfs/dbraw/zinc/60/44/70/458604470.db2.gz GSRCWMKTBAFBBI-ZDUSSCGKSA-N 2 1 336.863 3.091 20 0 EGADMP Fc1cc(Cl)ccc1C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424288544 458605301 /nfs/dbraw/zinc/60/53/01/458605301.db2.gz KNEBISOWUNOFKO-UHFFFAOYSA-N 2 1 334.826 3.116 20 0 EGADMP CCCc1csc(CN[C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)n1 ZINC000494045686 458619234 /nfs/dbraw/zinc/61/92/34/458619234.db2.gz BULODYJPKQHJOF-NVXWUHKLSA-N 2 1 339.549 3.322 20 0 EGADMP COc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(Cl)c1 ZINC000424348663 458623377 /nfs/dbraw/zinc/62/33/77/458623377.db2.gz MAZIRRZKFNDMRL-AWEZNQCLSA-N 2 1 339.911 3.025 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1cccc(O)c1Br)CC[NH2+]CC2 ZINC000424376213 458628913 /nfs/dbraw/zinc/62/89/13/458628913.db2.gz KMCPLKDZDLDLIF-LBPRGKRZSA-N 2 1 339.277 3.119 20 0 EGADMP COCCCOc1cccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424380972 458630497 /nfs/dbraw/zinc/63/04/97/458630497.db2.gz QHTCSDOMNWZPHS-QGZVFWFLSA-N 2 1 332.488 3.066 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1nc3ccc(Cl)cc3n1C)CC[NH2+]CC2 ZINC000424386608 458631570 /nfs/dbraw/zinc/63/15/70/458631570.db2.gz XQOVGRYUABJWEH-ZDUSSCGKSA-N 2 1 332.879 3.191 20 0 EGADMP COc1ccc2nc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)sc2c1 ZINC000424388579 458632119 /nfs/dbraw/zinc/63/21/19/458632119.db2.gz ZEXVLPUPZWJKRO-ZDUSSCGKSA-N 2 1 331.485 3.269 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424430804 458642520 /nfs/dbraw/zinc/64/25/20/458642520.db2.gz DLOOEUHCHGFFTM-GOSISDBHSA-N 2 1 332.492 3.230 20 0 EGADMP COCC(C)(C)C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000494304668 458656444 /nfs/dbraw/zinc/65/64/44/458656444.db2.gz WDVFDXYMTAWGHB-CALCHBBNSA-N 2 1 334.504 3.058 20 0 EGADMP CO[C@](C)(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000462816058 458657323 /nfs/dbraw/zinc/65/73/23/458657323.db2.gz FPKHRBAIICRYGI-CWJKEVGVSA-N 2 1 328.500 3.302 20 0 EGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CC3(O)CCC(C)CC3)C1)CCCC2 ZINC000432118478 458683398 /nfs/dbraw/zinc/68/33/98/458683398.db2.gz WQCMPFZSAIEGFZ-CMVHYPBASA-N 2 1 331.504 3.258 20 0 EGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CC3(O)CCC(C)CC3)C1)CCCC2 ZINC000432118478 458683402 /nfs/dbraw/zinc/68/34/02/458683402.db2.gz WQCMPFZSAIEGFZ-CMVHYPBASA-N 2 1 331.504 3.258 20 0 EGADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000471780053 458728261 /nfs/dbraw/zinc/72/82/61/458728261.db2.gz KJOQINBWKUOMFA-XUVXKRRUSA-N 2 1 330.516 3.428 20 0 EGADMP OC1CC(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000432419116 458737409 /nfs/dbraw/zinc/73/74/09/458737409.db2.gz ZCYBTOMJHNLPHB-YWHRJQNKSA-N 2 1 328.500 3.038 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CCCO1 ZINC000432424615 458737747 /nfs/dbraw/zinc/73/77/47/458737747.db2.gz PPIZAQMCXMYOER-NRSPTQNISA-N 2 1 330.516 3.488 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CCCO1 ZINC000432424615 458737752 /nfs/dbraw/zinc/73/77/52/458737752.db2.gz PPIZAQMCXMYOER-NRSPTQNISA-N 2 1 330.516 3.488 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000530412744 458763532 /nfs/dbraw/zinc/76/35/32/458763532.db2.gz XJOSQWZUBJQZRC-INIZCTEOSA-N 2 1 334.261 3.392 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000547832146 458802339 /nfs/dbraw/zinc/80/23/39/458802339.db2.gz LHZDHOJPCWFUOR-QFIPXVFZSA-N 2 1 341.543 3.361 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCC(C)CC2)[C@H]1C ZINC000474461632 458887408 /nfs/dbraw/zinc/88/74/08/458887408.db2.gz PWWGYXJVCPBARY-CADBVGFASA-N 2 1 338.536 3.310 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCCC12CCCCC2)c1ccccc1 ZINC000475138532 458923171 /nfs/dbraw/zinc/92/31/71/458923171.db2.gz MSIKIXJBFLMEMG-LJQANCHMSA-N 2 1 343.515 3.204 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495711237 458927716 /nfs/dbraw/zinc/92/77/16/458927716.db2.gz JFEZPZQCYBDEGN-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP CC(C)COC[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000576863218 458937439 /nfs/dbraw/zinc/93/74/39/458937439.db2.gz IERHKDZDQBZKHV-WIYYLYMNSA-N 2 1 348.531 3.042 20 0 EGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000576935909 458950254 /nfs/dbraw/zinc/95/02/54/458950254.db2.gz HYRJUKPXEPGPMO-BHIYHBOVSA-N 2 1 348.531 3.105 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C(C)(C)C)cc1 ZINC000467867374 458990969 /nfs/dbraw/zinc/99/09/69/458990969.db2.gz OIWGSMYQGSFTLX-AEFFLSMTSA-N 2 1 345.531 3.222 20 0 EGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc3c(c2)CCC=C3)CC1 ZINC000520207194 459039328 /nfs/dbraw/zinc/03/93/28/459039328.db2.gz JBOBNDDTYUKDPP-UHFFFAOYSA-N 2 1 348.450 3.045 20 0 EGADMP Cc1ccc([C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C2CCC2)cc1 ZINC000442875610 459050392 /nfs/dbraw/zinc/05/03/92/459050392.db2.gz PHIBMGKQAZQILD-HXUWFJFHSA-N 2 1 329.532 3.452 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1(C)C ZINC000442881333 459052193 /nfs/dbraw/zinc/05/21/93/459052193.db2.gz ZFLASCDSXBFAMS-PZJWPPBQSA-N 2 1 329.532 3.112 20 0 EGADMP C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000567221385 459068226 /nfs/dbraw/zinc/06/82/26/459068226.db2.gz JMMGISBWFLIAJB-ZBFHGGJFSA-N 2 1 342.487 3.064 20 0 EGADMP Cc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@@H](CC[NH3+])C3)n2)cc1F ZINC000443057378 459078709 /nfs/dbraw/zinc/07/87/09/459078709.db2.gz GNMNCKLMIHGMKM-KBPBESRZSA-N 2 1 332.423 3.306 20 0 EGADMP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443059014 459079985 /nfs/dbraw/zinc/07/99/85/459079985.db2.gz LOYYGFYHSDSICB-NEPJUHHUSA-N 2 1 344.286 3.381 20 0 EGADMP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443075898 459085990 /nfs/dbraw/zinc/08/59/90/459085990.db2.gz RTCFNQNSTBHYSB-MRXNPFEDSA-N 2 1 349.494 3.014 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H](CN)c1ccc3ccccc3c1)CO2 ZINC000577740072 459086282 /nfs/dbraw/zinc/08/62/82/459086282.db2.gz AUULPKGJVZGOMF-PZJWPPBQSA-N 2 1 348.446 3.442 20 0 EGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000532465071 459092768 /nfs/dbraw/zinc/09/27/68/459092768.db2.gz HGXGMWPWRMZYJJ-QGBVMSHASA-N 2 1 336.442 3.178 20 0 EGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000532465071 459092777 /nfs/dbraw/zinc/09/27/77/459092777.db2.gz HGXGMWPWRMZYJJ-QGBVMSHASA-N 2 1 336.442 3.178 20 0 EGADMP CCC(CC)[N@@H+](CC)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000558174476 459137927 /nfs/dbraw/zinc/13/79/27/459137927.db2.gz PZHUKCVVKKTEPM-UHFFFAOYSA-N 2 1 345.531 3.409 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Br)cn2)C1 ZINC000567662647 459141222 /nfs/dbraw/zinc/14/12/22/459141222.db2.gz IMIGKNUFMGDZGR-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Br)cn2)C1 ZINC000567662647 459141223 /nfs/dbraw/zinc/14/12/23/459141223.db2.gz IMIGKNUFMGDZGR-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000567786531 459167757 /nfs/dbraw/zinc/16/77/57/459167757.db2.gz AZYDQXDDXYIBSX-RTBURBONSA-N 2 1 335.536 3.009 20 0 EGADMP COc1ccc(Br)c(C[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000567871035 459181902 /nfs/dbraw/zinc/18/19/02/459181902.db2.gz KMBJFBJMVOYNFQ-UHFFFAOYSA-N 2 1 335.245 3.206 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(CC)CCCC3)CC2)CC1 ZINC000522012310 459204647 /nfs/dbraw/zinc/20/46/47/459204647.db2.gz IZXBTNSVIHJGBT-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000480725608 459215312 /nfs/dbraw/zinc/21/53/12/459215312.db2.gz YWQDGEBGDSYKOY-HCXYKTFWSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480725608 459215320 /nfs/dbraw/zinc/21/53/20/459215320.db2.gz YWQDGEBGDSYKOY-HCXYKTFWSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480725608 459215326 /nfs/dbraw/zinc/21/53/26/459215326.db2.gz YWQDGEBGDSYKOY-HCXYKTFWSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000480737535 459217217 /nfs/dbraw/zinc/21/72/17/459217217.db2.gz OXDSZSIGPRZMBR-CEXWTWQISA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000480737535 459217221 /nfs/dbraw/zinc/21/72/21/459217221.db2.gz OXDSZSIGPRZMBR-CEXWTWQISA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000480737535 459217226 /nfs/dbraw/zinc/21/72/26/459217226.db2.gz OXDSZSIGPRZMBR-CEXWTWQISA-N 2 1 349.563 3.125 20 0 EGADMP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786385 459218944 /nfs/dbraw/zinc/21/89/44/459218944.db2.gz BEEVGKGSKPRTDE-QGZVFWFLSA-N 2 1 331.504 3.374 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000590787299 459220180 /nfs/dbraw/zinc/22/01/80/459220180.db2.gz YYGFKOSBFQHZCM-UHFFFAOYSA-N 2 1 328.460 3.289 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000590787299 459220188 /nfs/dbraw/zinc/22/01/88/459220188.db2.gz YYGFKOSBFQHZCM-UHFFFAOYSA-N 2 1 328.460 3.289 20 0 EGADMP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]Cc3[nH]nc4ccccc43)C2)cc1 ZINC000590798592 459224733 /nfs/dbraw/zinc/22/47/33/459224733.db2.gz CSXDFVJREMYXMR-SFHVURJKSA-N 2 1 334.467 3.217 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]Cc3[nH]nc4ccccc43)C2)cc1 ZINC000590798592 459224738 /nfs/dbraw/zinc/22/47/38/459224738.db2.gz CSXDFVJREMYXMR-SFHVURJKSA-N 2 1 334.467 3.217 20 0 EGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000533361981 459225545 /nfs/dbraw/zinc/22/55/45/459225545.db2.gz NSGLALUEHBRQND-OKZBNKHCSA-N 2 1 335.561 3.451 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1F ZINC000522546668 459248379 /nfs/dbraw/zinc/24/83/79/459248379.db2.gz YPUOPKLGEZITCE-PBHICJAKSA-N 2 1 337.483 3.417 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000559683227 459272387 /nfs/dbraw/zinc/27/23/87/459272387.db2.gz RPJMVBFCEQBPQE-IYBDPMFKSA-N 2 1 349.494 3.420 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@H](O)Cc1ccccc1 ZINC000559789026 459278051 /nfs/dbraw/zinc/27/80/51/459278051.db2.gz MSCOKVCSBGMURY-ZHNGQKSSSA-N 2 1 338.495 3.404 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@H](O)Cc1ccccc1 ZINC000559789026 459278056 /nfs/dbraw/zinc/27/80/56/459278056.db2.gz MSCOKVCSBGMURY-ZHNGQKSSSA-N 2 1 338.495 3.404 20 0 EGADMP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)ccn1 ZINC000559892067 459283457 /nfs/dbraw/zinc/28/34/57/459283457.db2.gz BMMZOIRBCNFHOW-INIZCTEOSA-N 2 1 325.456 3.189 20 0 EGADMP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)ccn1 ZINC000559892067 459283459 /nfs/dbraw/zinc/28/34/59/459283459.db2.gz BMMZOIRBCNFHOW-INIZCTEOSA-N 2 1 325.456 3.189 20 0 EGADMP Cc1cc2[nH]c(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)cc2c(C)c1 ZINC000481985185 459284599 /nfs/dbraw/zinc/28/45/99/459284599.db2.gz XBMQEZSKZUEWPD-DZFGPLHGSA-N 2 1 341.499 3.468 20 0 EGADMP Cc1cc2[nH]c(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)cc2c(C)c1 ZINC000481985185 459284604 /nfs/dbraw/zinc/28/46/04/459284604.db2.gz XBMQEZSKZUEWPD-DZFGPLHGSA-N 2 1 341.499 3.468 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000482133679 459291693 /nfs/dbraw/zinc/29/16/93/459291693.db2.gz DKWMUQHDVDHQKY-YJBOKZPZSA-N 2 1 335.467 3.254 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000582098039 459306093 /nfs/dbraw/zinc/30/60/93/459306093.db2.gz VWNLYJCTWCPXME-UHFFFAOYSA-N 2 1 343.515 3.156 20 0 EGADMP C[NH+](C)CC[C@@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC000483174782 459347716 /nfs/dbraw/zinc/34/77/16/459347716.db2.gz KROHNJBYQKSVFP-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541024924 459418774 /nfs/dbraw/zinc/41/87/74/459418774.db2.gz URVBVIIUYQHMIW-MRXNPFEDSA-N 2 1 341.377 3.314 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000484971597 459436741 /nfs/dbraw/zinc/43/67/41/459436741.db2.gz MLERISSTRJUJLX-LDQXTDLNSA-N 2 1 343.515 3.093 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000484971597 459436745 /nfs/dbraw/zinc/43/67/45/459436745.db2.gz MLERISSTRJUJLX-LDQXTDLNSA-N 2 1 343.515 3.093 20 0 EGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cccc(N2CCOC2=O)c1 ZINC000497113433 459444858 /nfs/dbraw/zinc/44/48/58/459444858.db2.gz OLAYFLNBELVRED-RDTXWAMCSA-N 2 1 331.460 3.201 20 0 EGADMP CN(C[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C1CCCCC1)C1CC1 ZINC000569652023 459486985 /nfs/dbraw/zinc/48/69/85/459486985.db2.gz NKBHPFREBWYGSL-FQEVSTJZSA-N 2 1 334.479 3.416 20 0 EGADMP C[NH+](C[C@H](O)C[N@H+](Cc1ccc(F)cc1)C1CCCCC1)C1CC1 ZINC000569652023 459486998 /nfs/dbraw/zinc/48/69/98/459486998.db2.gz NKBHPFREBWYGSL-FQEVSTJZSA-N 2 1 334.479 3.416 20 0 EGADMP C[NH+](C[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C1CCCCC1)C1CC1 ZINC000569652023 459487004 /nfs/dbraw/zinc/48/70/04/459487004.db2.gz NKBHPFREBWYGSL-FQEVSTJZSA-N 2 1 334.479 3.416 20 0 EGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@@H](C)n1ccnc1 ZINC000583502687 459551252 /nfs/dbraw/zinc/55/12/52/459551252.db2.gz AXFZORXCXFBCLA-IEBWSBKVSA-N 2 1 342.487 3.107 20 0 EGADMP COc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1Cl ZINC000583791322 459596832 /nfs/dbraw/zinc/59/68/32/459596832.db2.gz FEIOGYLQPFFXGN-AWEZNQCLSA-N 2 1 339.911 3.025 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000592487982 459612466 /nfs/dbraw/zinc/61/24/66/459612466.db2.gz DUTUPDCSSDGCTQ-CZUORRHYSA-N 2 1 330.428 3.169 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000592487982 459612471 /nfs/dbraw/zinc/61/24/71/459612471.db2.gz DUTUPDCSSDGCTQ-CZUORRHYSA-N 2 1 330.428 3.169 20 0 EGADMP Cc1cccc(OC[C@H](O)C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000573084444 459623401 /nfs/dbraw/zinc/62/34/01/459623401.db2.gz VVPGSMDHWMIWLG-HSALFYBXSA-N 2 1 348.531 3.082 20 0 EGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527666635 459691515 /nfs/dbraw/zinc/69/15/15/459691515.db2.gz UIIHKJJXIGHSPI-SFTDATJTSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527666635 459691520 /nfs/dbraw/zinc/69/15/20/459691520.db2.gz UIIHKJJXIGHSPI-SFTDATJTSA-N 2 1 349.478 3.141 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CC[NH2+][C@H]2CC)c1 ZINC000563090421 459714415 /nfs/dbraw/zinc/71/44/15/459714415.db2.gz NVFVHRUAHIDILF-UXHICEINSA-N 2 1 345.531 3.313 20 0 EGADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)O[C@@H](C)C2 ZINC000596675060 459723904 /nfs/dbraw/zinc/72/39/04/459723904.db2.gz QCMHAIAUHPGQOO-HOTGVXAUSA-N 2 1 332.488 3.229 20 0 EGADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)O[C@@H](C)C2 ZINC000596675060 459723908 /nfs/dbraw/zinc/72/39/08/459723908.db2.gz QCMHAIAUHPGQOO-HOTGVXAUSA-N 2 1 332.488 3.229 20 0 EGADMP COc1cc2c(cc1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)O[C@@H](C)C2 ZINC000596675062 459723970 /nfs/dbraw/zinc/72/39/70/459723970.db2.gz QCMHAIAUHPGQOO-JKSUJKDBSA-N 2 1 332.488 3.229 20 0 EGADMP COc1cc2c(cc1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)O[C@@H](C)C2 ZINC000596675062 459723974 /nfs/dbraw/zinc/72/39/74/459723974.db2.gz QCMHAIAUHPGQOO-JKSUJKDBSA-N 2 1 332.488 3.229 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(F)c1 ZINC000544422497 459758139 /nfs/dbraw/zinc/75/81/39/459758139.db2.gz WARUIPYUFSNAGU-CVEARBPZSA-N 2 1 347.478 3.315 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(F)c1 ZINC000544422497 459758143 /nfs/dbraw/zinc/75/81/43/459758143.db2.gz WARUIPYUFSNAGU-CVEARBPZSA-N 2 1 347.478 3.315 20 0 EGADMP CC[C@H](CCc1ccccc1)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000527858303 459761015 /nfs/dbraw/zinc/76/10/15/459761015.db2.gz JMHZOZHUCMJOQG-OAQYLSRUSA-N 2 1 331.548 3.261 20 0 EGADMP Cc1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)n1C ZINC000574100419 459779629 /nfs/dbraw/zinc/77/96/29/459779629.db2.gz YUULTVJXWWRACD-INIZCTEOSA-N 2 1 326.488 3.393 20 0 EGADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000566005188 459791461 /nfs/dbraw/zinc/79/14/61/459791461.db2.gz WLWXPYMJGAQRFM-QUCCMNQESA-N 2 1 348.531 3.145 20 0 EGADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000528004674 459793420 /nfs/dbraw/zinc/79/34/20/459793420.db2.gz RQLDXRNTKZEPAA-HYCSIWNGSA-N 2 1 328.500 3.299 20 0 EGADMP C[C@@H]1COCCN1C1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000574261929 459798016 /nfs/dbraw/zinc/79/80/16/459798016.db2.gz VVZRECBPPPNIHU-CQSZACIVSA-N 2 1 340.870 3.207 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2cccc(C(F)(F)F)n2)c2ccccc21 ZINC000566062540 459799989 /nfs/dbraw/zinc/79/99/89/459799989.db2.gz CHIBPVNYNXODNS-KGLIPLIRSA-N 2 1 337.345 3.214 20 0 EGADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000574280912 459801765 /nfs/dbraw/zinc/80/17/65/459801765.db2.gz NMIBFPNIQZNCQP-NJDAHSKKSA-N 2 1 328.500 3.136 20 0 EGADMP O[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000574280912 459801767 /nfs/dbraw/zinc/80/17/67/459801767.db2.gz NMIBFPNIQZNCQP-NJDAHSKKSA-N 2 1 328.500 3.136 20 0 EGADMP O[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000574280912 459801772 /nfs/dbraw/zinc/80/17/72/459801772.db2.gz NMIBFPNIQZNCQP-NJDAHSKKSA-N 2 1 328.500 3.136 20 0 EGADMP Fc1ccc(Br)cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000566230119 459827043 /nfs/dbraw/zinc/82/70/43/459827043.db2.gz JLMAHVXISSDYIH-CYBMUJFWSA-N 2 1 341.268 3.410 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)C2)CC1 ZINC000602486614 459963366 /nfs/dbraw/zinc/96/33/66/459963366.db2.gz VVNNKUSGTUTDNE-YPAWHYETSA-N 2 1 341.543 3.281 20 0 EGADMP CC1CC[NH+](CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000588772860 459981103 /nfs/dbraw/zinc/98/11/03/459981103.db2.gz CAYGOEVOJYSAMB-UHFFFAOYSA-N 2 1 335.536 3.023 20 0 EGADMP CSC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602550596 459993714 /nfs/dbraw/zinc/99/37/14/459993714.db2.gz JZYHNFADCYPRIK-NZSAHSFTSA-N 2 1 334.529 3.058 20 0 EGADMP CSC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602550596 459993717 /nfs/dbraw/zinc/99/37/17/459993717.db2.gz JZYHNFADCYPRIK-NZSAHSFTSA-N 2 1 334.529 3.058 20 0 EGADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602558136 459995432 /nfs/dbraw/zinc/99/54/32/459995432.db2.gz QXHPUNBBQWYLED-OYSPMZIOSA-N 2 1 334.529 3.057 20 0 EGADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602558136 459995438 /nfs/dbraw/zinc/99/54/38/459995438.db2.gz QXHPUNBBQWYLED-OYSPMZIOSA-N 2 1 334.529 3.057 20 0 EGADMP CCOC(=O)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)[nH]1 ZINC000602590020 460011917 /nfs/dbraw/zinc/01/19/17/460011917.db2.gz BNMPSORWKXFIGA-UHFFFAOYSA-N 2 1 343.471 3.321 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)c2ccccc21 ZINC000621758647 460052448 /nfs/dbraw/zinc/05/24/48/460052448.db2.gz GEVIEKRLHOKNSF-SFHVURJKSA-N 2 1 329.488 3.196 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602683010 460063304 /nfs/dbraw/zinc/06/33/04/460063304.db2.gz ZZNRBOTVIQLUQA-LMCOJAPRSA-N 2 1 342.483 3.286 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602683010 460063309 /nfs/dbraw/zinc/06/33/09/460063309.db2.gz ZZNRBOTVIQLUQA-LMCOJAPRSA-N 2 1 342.483 3.286 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000602869166 460166600 /nfs/dbraw/zinc/16/66/00/460166600.db2.gz JNJJDMYPVCMUKR-LJQANCHMSA-N 2 1 344.547 3.352 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2)C1 ZINC000599310368 460224385 /nfs/dbraw/zinc/22/43/85/460224385.db2.gz WKUZYXROTLSRAF-PXNSSMCTSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000599310368 460224390 /nfs/dbraw/zinc/22/43/90/460224390.db2.gz WKUZYXROTLSRAF-PXNSSMCTSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3C)cc2)C1 ZINC000599310368 460224394 /nfs/dbraw/zinc/22/43/94/460224394.db2.gz WKUZYXROTLSRAF-PXNSSMCTSA-N 2 1 343.515 3.019 20 0 EGADMP CCc1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)sc1C ZINC000619177179 460290716 /nfs/dbraw/zinc/29/07/16/460290716.db2.gz WAFILYHRPNUZPB-UHFFFAOYSA-N 2 1 344.484 3.018 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)N1CCCCCC1 ZINC000626062452 460358118 /nfs/dbraw/zinc/35/81/18/460358118.db2.gz SOGHXRIOMXIUBK-GOSISDBHSA-N 2 1 345.531 3.361 20 0 EGADMP CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000626159522 460404857 /nfs/dbraw/zinc/40/48/57/460404857.db2.gz OPTIWBANSBZDKA-OAQYLSRUSA-N 2 1 343.515 3.163 20 0 EGADMP C[N@@H+](CCCO)C1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000604389051 460418594 /nfs/dbraw/zinc/41/85/94/460418594.db2.gz PJRVBKSHDCOZCW-UHFFFAOYSA-N 2 1 334.548 3.372 20 0 EGADMP COc1cccc2c1OCCC[C@H]2[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000631575509 460451972 /nfs/dbraw/zinc/45/19/72/460451972.db2.gz MOWIGOBJVLLBCS-WMLDXEAASA-N 2 1 329.444 3.340 20 0 EGADMP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604773121 460477073 /nfs/dbraw/zinc/47/70/73/460477073.db2.gz AAPTYTQAJBTNAS-MJGOQNOKSA-N 2 1 347.547 3.380 20 0 EGADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1=O)C(C)(C)C ZINC000604774477 460478000 /nfs/dbraw/zinc/47/80/00/460478000.db2.gz WYEMZBQXOZXXPU-MSOLQXFVSA-N 2 1 349.494 3.277 20 0 EGADMP CCc1ccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000605026240 460527347 /nfs/dbraw/zinc/52/73/47/460527347.db2.gz JETVXMLCXXFBEI-RTBURBONSA-N 2 1 329.532 3.239 20 0 EGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1c1[nH+]cnc2[nH]ccc21 ZINC000634807812 460531464 /nfs/dbraw/zinc/53/14/64/460531464.db2.gz BNJIJHHMPWTUOI-FUHWJXTLSA-N 2 1 335.455 3.134 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000631720247 460532173 /nfs/dbraw/zinc/53/21/73/460532173.db2.gz RLOIJCYTXTZCCK-BTYMGIQYSA-N 2 1 342.405 3.083 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000631720247 460532174 /nfs/dbraw/zinc/53/21/74/460532174.db2.gz RLOIJCYTXTZCCK-BTYMGIQYSA-N 2 1 342.405 3.083 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@H]1C(F)(F)F ZINC000629652742 460847586 /nfs/dbraw/zinc/84/75/86/460847586.db2.gz BOWTVABEOPMVLQ-UKRRQHHQSA-N 2 1 338.377 3.036 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@H]1C(F)(F)F ZINC000629652742 460847594 /nfs/dbraw/zinc/84/75/94/460847594.db2.gz BOWTVABEOPMVLQ-UKRRQHHQSA-N 2 1 338.377 3.036 20 0 EGADMP COc1ccc([C@H](C)C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629655890 460851613 /nfs/dbraw/zinc/85/16/13/460851613.db2.gz LPQIWJDSARCFDM-XPKDYRNWSA-N 2 1 330.394 3.258 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000624121194 460871576 /nfs/dbraw/zinc/87/15/76/460871576.db2.gz PTMLYGPTDNPEBA-LSDHHAIUSA-N 2 1 329.488 3.299 20 0 EGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)CCC(C)C)CC2)cc1 ZINC000613502173 460972529 /nfs/dbraw/zinc/97/25/29/460972529.db2.gz JIADLLZRXZUMHO-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP CCOc1cncc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000621338697 460995457 /nfs/dbraw/zinc/99/54/57/460995457.db2.gz IPPJLFSSYIIHHK-QGZVFWFLSA-N 2 1 327.472 3.481 20 0 EGADMP CCOc1cncc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000621338697 460995461 /nfs/dbraw/zinc/99/54/61/460995461.db2.gz IPPJLFSSYIIHHK-QGZVFWFLSA-N 2 1 327.472 3.481 20 0 EGADMP CCOc1cncc(CN[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000621340439 460997095 /nfs/dbraw/zinc/99/70/95/460997095.db2.gz FBSBARFRZKITRV-VQIMIIECSA-N 2 1 325.456 3.233 20 0 EGADMP CCOc1cncc(CN[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000621340439 460997101 /nfs/dbraw/zinc/99/71/01/460997101.db2.gz FBSBARFRZKITRV-VQIMIIECSA-N 2 1 325.456 3.233 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000608357485 461044307 /nfs/dbraw/zinc/04/43/07/461044307.db2.gz NNDHCRVQFDKSJF-MRXNPFEDSA-N 2 1 340.471 3.061 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](C[C@H](C)c2ccc(C)cc2)CC1 ZINC000628274757 461068562 /nfs/dbraw/zinc/06/85/62/461068562.db2.gz LDTUQYZUZVRVES-IBGZPJMESA-N 2 1 348.531 3.158 20 0 EGADMP Brc1ccc2[nH]c3c(c2c1)C[N@H+](CC1CC[NH2+]CC1)CC3 ZINC000662215610 461123130 /nfs/dbraw/zinc/12/31/30/461123130.db2.gz HIYILLXFDLAHBS-UHFFFAOYSA-N 2 1 348.288 3.288 20 0 EGADMP Brc1ccc2[nH]c3c(c2c1)C[N@@H+](CC1CC[NH2+]CC1)CC3 ZINC000662215610 461123135 /nfs/dbraw/zinc/12/31/35/461123135.db2.gz HIYILLXFDLAHBS-UHFFFAOYSA-N 2 1 348.288 3.288 20 0 EGADMP Cc1cn2ccc(NC(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)cc2n1 ZINC000668151899 461138752 /nfs/dbraw/zinc/13/87/52/461138752.db2.gz RWRUUJYZYPVJJI-INIZCTEOSA-N 2 1 343.475 3.419 20 0 EGADMP O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652336784 461138783 /nfs/dbraw/zinc/13/87/83/461138783.db2.gz AHYYCJHPXZOAKF-LJQANCHMSA-N 2 1 349.478 3.183 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)on3)C2)C1 ZINC000652349165 461142243 /nfs/dbraw/zinc/14/22/43/461142243.db2.gz DAKAITUSFFSBJT-LMMKCTJWSA-N 2 1 341.455 3.060 20 0 EGADMP COc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652350122 461144984 /nfs/dbraw/zinc/14/49/84/461144984.db2.gz HBDPLKWDKCBXIL-OWQGQXMQSA-N 2 1 338.879 3.067 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)[C@@H]1CC[NH3+] ZINC000652353921 461149261 /nfs/dbraw/zinc/14/92/61/461149261.db2.gz HBMWXUGLIVRGCM-MLGOLLRUSA-N 2 1 341.858 3.257 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2csc(-c3ccoc3)n2)C1 ZINC000652362750 461154630 /nfs/dbraw/zinc/15/46/30/461154630.db2.gz OCSJUWRBTFXXAB-OIISXLGYSA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2csc(-c3ccoc3)n2)C1 ZINC000652362750 461154638 /nfs/dbraw/zinc/15/46/38/461154638.db2.gz OCSJUWRBTFXXAB-OIISXLGYSA-N 2 1 347.484 3.264 20 0 EGADMP Cc1ccccc1-c1noc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000662290746 461168564 /nfs/dbraw/zinc/16/85/64/461168564.db2.gz JKCIUQZUEXDTBE-KRWDZBQOSA-N 2 1 340.471 3.257 20 0 EGADMP C[C@@H](N(C)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1(C)CC1 ZINC000638040891 461211516 /nfs/dbraw/zinc/21/15/16/461211516.db2.gz HDHSQIBIVNOIRO-QGZVFWFLSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000659247461 461247239 /nfs/dbraw/zinc/24/72/39/461247239.db2.gz XQWVNYBGNROGBQ-PBEJRMEISA-N 2 1 349.478 3.173 20 0 EGADMP [NH3+]Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000646579444 461337891 /nfs/dbraw/zinc/33/78/91/461337891.db2.gz HEOITMRNOSNGND-KRWDZBQOSA-N 2 1 341.430 3.135 20 0 EGADMP c1cnc2c(c1)cccc2CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655686415 461361966 /nfs/dbraw/zinc/36/19/66/461361966.db2.gz GFXWZGIJDTWABE-HXUWFJFHSA-N 2 1 339.483 3.010 20 0 EGADMP c1ccc(C2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCC2)cc1 ZINC000655685784 461362467 /nfs/dbraw/zinc/36/24/67/461362467.db2.gz OLNRXNJOTHTZMX-FQEVSTJZSA-N 2 1 328.500 3.341 20 0 EGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000641773044 461364150 /nfs/dbraw/zinc/36/41/50/461364150.db2.gz CUXZHFMNUZCQEC-NRFANRHFSA-N 2 1 343.515 3.060 20 0 EGADMP Clc1ccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)cc1 ZINC000655708397 461377800 /nfs/dbraw/zinc/37/78/00/461377800.db2.gz NDJRTJVXBAYGOB-SFHVURJKSA-N 2 1 334.891 3.215 20 0 EGADMP Cc1ccccc1C1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655707855 461378403 /nfs/dbraw/zinc/37/84/03/461378403.db2.gz GDWBYQVGGAYNDN-LJQANCHMSA-N 2 1 328.500 3.260 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000655712575 461382030 /nfs/dbraw/zinc/38/20/30/461382030.db2.gz UTRIVOSCEYLIBT-DLBZAZTESA-N 2 1 328.435 3.036 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000655712575 461382039 /nfs/dbraw/zinc/38/20/39/461382039.db2.gz UTRIVOSCEYLIBT-DLBZAZTESA-N 2 1 328.435 3.036 20 0 EGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Sc1ccccc1 ZINC000655719204 461387631 /nfs/dbraw/zinc/38/76/31/461387631.db2.gz HXFJLXDTZMCUGC-WMZOPIPTSA-N 2 1 334.529 3.400 20 0 EGADMP c1cc(OC2CCCC2)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655725226 461393963 /nfs/dbraw/zinc/39/39/63/461393963.db2.gz OPQKSHOIXILJPY-LJQANCHMSA-N 2 1 344.499 3.351 20 0 EGADMP CCn1ncnc1CNCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000638374136 461394502 /nfs/dbraw/zinc/39/45/02/461394502.db2.gz NKVJQWWVJZVODS-CALCHBBNSA-N 2 1 341.503 3.066 20 0 EGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000655730257 461398646 /nfs/dbraw/zinc/39/86/46/461398646.db2.gz NWCNVCUWEYWZAW-INIZCTEOSA-N 2 1 337.471 3.420 20 0 EGADMP Cc1cc(C)cc(C[C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655730835 461399300 /nfs/dbraw/zinc/39/93/00/461399300.db2.gz UHHGTSKRVBBROI-RXVVDRJESA-N 2 1 330.516 3.467 20 0 EGADMP CCC(CC)[C@H](CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)OC ZINC000655734448 461403710 /nfs/dbraw/zinc/40/37/10/461403710.db2.gz INCJKVQBMMRWBX-MOPGFXCFSA-N 2 1 326.525 3.061 20 0 EGADMP FC1(F)CCCC[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655769357 461436457 /nfs/dbraw/zinc/43/64/57/461436457.db2.gz GWYZYZMDQUWOGJ-RDJZCZTQSA-N 2 1 330.463 3.435 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000663095086 461454850 /nfs/dbraw/zinc/45/48/50/461454850.db2.gz NMVYHJKBVIQQIR-RTWAWAEBSA-N 2 1 344.499 3.052 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000663095086 461454860 /nfs/dbraw/zinc/45/48/60/461454860.db2.gz NMVYHJKBVIQQIR-RTWAWAEBSA-N 2 1 344.499 3.052 20 0 EGADMP C[C@H](CN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)[NH+](C)C1CC1 ZINC000638574774 461491598 /nfs/dbraw/zinc/49/15/98/461491598.db2.gz HRGQNXRSOFCDKC-MMOPVJDHSA-N 2 1 327.516 3.427 20 0 EGADMP C[C@H](CN[C@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1)[N@H+](C)C1CC1 ZINC000638574774 461491608 /nfs/dbraw/zinc/49/16/08/461491608.db2.gz HRGQNXRSOFCDKC-MMOPVJDHSA-N 2 1 327.516 3.427 20 0 EGADMP C[C@H](CN[C@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000638574774 461491614 /nfs/dbraw/zinc/49/16/14/461491614.db2.gz HRGQNXRSOFCDKC-MMOPVJDHSA-N 2 1 327.516 3.427 20 0 EGADMP C[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655840472 461492155 /nfs/dbraw/zinc/49/21/55/461492155.db2.gz VNHMGPUCMXQCGO-XEHJXZTKSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655840472 461492164 /nfs/dbraw/zinc/49/21/64/461492164.db2.gz VNHMGPUCMXQCGO-XEHJXZTKSA-N 2 1 336.479 3.145 20 0 EGADMP COc1cc(Cl)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000631065281 461518016 /nfs/dbraw/zinc/51/80/16/461518016.db2.gz XDVHVUMBMLXKKW-GFCCVEGCSA-N 2 1 337.851 3.288 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)CC[N@H+]1C ZINC000638706547 461544456 /nfs/dbraw/zinc/54/44/56/461544456.db2.gz GKLWBBRHDGOQPV-XLBJILASSA-N 2 1 327.516 3.427 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC[NH+]1C ZINC000638706547 461544461 /nfs/dbraw/zinc/54/44/61/461544461.db2.gz GKLWBBRHDGOQPV-XLBJILASSA-N 2 1 327.516 3.427 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC[NH+]1C ZINC000638706547 461544470 /nfs/dbraw/zinc/54/44/70/461544470.db2.gz GKLWBBRHDGOQPV-XLBJILASSA-N 2 1 327.516 3.427 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000631136674 461581621 /nfs/dbraw/zinc/58/16/21/461581621.db2.gz XQTZOYSXNGSQLR-SFHVURJKSA-N 2 1 331.504 3.128 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000631136674 461581626 /nfs/dbraw/zinc/58/16/26/461581626.db2.gz XQTZOYSXNGSQLR-SFHVURJKSA-N 2 1 331.504 3.128 20 0 EGADMP CC(C)c1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000660156206 461612623 /nfs/dbraw/zinc/61/26/23/461612623.db2.gz QIIYXDDWEISSLG-GHTZIAJQSA-N 2 1 329.532 3.268 20 0 EGADMP CCNC(=O)[C@H](C)NC[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638846865 461614648 /nfs/dbraw/zinc/61/46/48/461614648.db2.gz FQWNDUGMKHRISY-LAUBAEHRSA-N 2 1 345.531 3.039 20 0 EGADMP CCNC(=O)[C@H](C)[NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638846865 461614658 /nfs/dbraw/zinc/61/46/58/461614658.db2.gz FQWNDUGMKHRISY-LAUBAEHRSA-N 2 1 345.531 3.039 20 0 EGADMP CCNC(=O)[C@H](C)[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638846865 461614665 /nfs/dbraw/zinc/61/46/65/461614665.db2.gz FQWNDUGMKHRISY-LAUBAEHRSA-N 2 1 345.531 3.039 20 0 EGADMP CCCn1nccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631194179 461632500 /nfs/dbraw/zinc/63/25/00/461632500.db2.gz JKHKXEUJPIHMDX-MJGOQNOKSA-N 2 1 326.488 3.151 20 0 EGADMP CCCn1nccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631194179 461632513 /nfs/dbraw/zinc/63/25/13/461632513.db2.gz JKHKXEUJPIHMDX-MJGOQNOKSA-N 2 1 326.488 3.151 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000663465383 461654826 /nfs/dbraw/zinc/65/48/26/461654826.db2.gz JQQHWEZZCOHUEJ-APWZRJJASA-N 2 1 344.499 3.403 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000663465387 461655350 /nfs/dbraw/zinc/65/53/50/461655350.db2.gz JQQHWEZZCOHUEJ-QFBILLFUSA-N 2 1 344.499 3.403 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(-n2cncn2)cc1 ZINC000663469603 461659025 /nfs/dbraw/zinc/65/90/25/461659025.db2.gz QYKDINSKPNDGQS-SJLPKXTDSA-N 2 1 339.487 3.040 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1)C(C)C ZINC000638967977 461660823 /nfs/dbraw/zinc/66/08/23/461660823.db2.gz MTCKDBJHZCEFJG-RUCARUNLSA-N 2 1 331.504 3.164 20 0 EGADMP CCOc1cccc2cc([C@H](C)NC[C@H](O)C[N@@H+](C)C(C)C)oc21 ZINC000660255879 461668825 /nfs/dbraw/zinc/66/88/25/461668825.db2.gz AWVAZSXHNVPVHK-HOCLYGCPSA-N 2 1 334.460 3.183 20 0 EGADMP CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639046000 461687778 /nfs/dbraw/zinc/68/77/78/461687778.db2.gz RHRPQAFSYGVLBF-BVOGOJNSSA-N 2 1 344.499 3.138 20 0 EGADMP CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639046000 461687789 /nfs/dbraw/zinc/68/77/89/461687789.db2.gz RHRPQAFSYGVLBF-BVOGOJNSSA-N 2 1 344.499 3.138 20 0 EGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+]([C@H](c3nccn3C)C3CC3)C1)CCCC2 ZINC000639077426 461712984 /nfs/dbraw/zinc/71/29/84/461712984.db2.gz WWWZGAGTLYOIPM-LPHOPBHVSA-N 2 1 339.487 3.202 20 0 EGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@H](c3nccn3C)C3CC3)C1)CCCC2 ZINC000639077426 461712992 /nfs/dbraw/zinc/71/29/92/461712992.db2.gz WWWZGAGTLYOIPM-LPHOPBHVSA-N 2 1 339.487 3.202 20 0 EGADMP COc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1OCC(C)C ZINC000647482942 461731153 /nfs/dbraw/zinc/73/11/53/461731153.db2.gz LRXVYWIPNXOTSG-UHFFFAOYSA-N 2 1 332.488 3.446 20 0 EGADMP COc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1OCC(C)C ZINC000647482942 461731160 /nfs/dbraw/zinc/73/11/60/461731160.db2.gz LRXVYWIPNXOTSG-UHFFFAOYSA-N 2 1 332.488 3.446 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)CC[C@H]1[NH3+] ZINC000647498775 461738504 /nfs/dbraw/zinc/73/85/04/461738504.db2.gz QGTTYZLHWYXCSD-TZIWHRDSSA-N 2 1 340.515 3.416 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)CC[C@@H]1[NH3+] ZINC000647498772 461738840 /nfs/dbraw/zinc/73/88/40/461738840.db2.gz QGTTYZLHWYXCSD-CTNGQTDRSA-N 2 1 340.515 3.416 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC[C@@H]4CCCC[NH2+]4)[C@H]3C2)cc1 ZINC000643501648 461746581 /nfs/dbraw/zinc/74/65/81/461746581.db2.gz NCLYCIJPJNEXCO-TUFLPTIASA-N 2 1 327.516 3.019 20 0 EGADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000666664796 461747249 /nfs/dbraw/zinc/74/72/49/461747249.db2.gz MSFJBSUMXJLFRN-RDJZCZTQSA-N 2 1 345.491 3.053 20 0 EGADMP c1cc(CCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647542743 461753918 /nfs/dbraw/zinc/75/39/18/461753918.db2.gz BHUBUWZHXWDSFW-VQTJNVASSA-N 2 1 328.500 3.266 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546153 461759440 /nfs/dbraw/zinc/75/94/40/461759440.db2.gz JQPAKSMPXGQJNY-YZGWKJHDSA-N 2 1 327.516 3.161 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546153 461759446 /nfs/dbraw/zinc/75/94/46/461759446.db2.gz JQPAKSMPXGQJNY-YZGWKJHDSA-N 2 1 327.516 3.161 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CCC[C@@H]3C[NH+](C)CC[C@H]31)CC2 ZINC000639177246 461783694 /nfs/dbraw/zinc/78/36/94/461783694.db2.gz BXEKWRWSXRUJMH-KBAYOESNSA-N 2 1 330.472 3.107 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CCC[C@@H]3C[N@H+](C)CC[C@H]31)CC2 ZINC000639177246 461783702 /nfs/dbraw/zinc/78/37/02/461783702.db2.gz BXEKWRWSXRUJMH-KBAYOESNSA-N 2 1 330.472 3.107 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CCC[C@@H]3C[N@@H+](C)CC[C@H]31)CC2 ZINC000639177246 461783710 /nfs/dbraw/zinc/78/37/10/461783710.db2.gz BXEKWRWSXRUJMH-KBAYOESNSA-N 2 1 330.472 3.107 20 0 EGADMP CC[C@@H]1C[NH+](CC2(C[N@H+]3CCCO[C@@H](CC)C3)CCC2)CCCO1 ZINC000660469886 461798864 /nfs/dbraw/zinc/79/88/64/461798864.db2.gz RFJHSZUWQNNLQD-KDURUIRLSA-N 2 1 338.536 3.159 20 0 EGADMP CC[C@@H]1C[N@H+](CC2(C[NH+]3CCCO[C@@H](CC)C3)CCC2)CCCO1 ZINC000660469886 461798870 /nfs/dbraw/zinc/79/88/70/461798870.db2.gz RFJHSZUWQNNLQD-KDURUIRLSA-N 2 1 338.536 3.159 20 0 EGADMP CC[C@@H]1C[N@@H+](CC2(C[NH+]3CCCO[C@@H](CC)C3)CCC2)CCCO1 ZINC000660469886 461798879 /nfs/dbraw/zinc/79/88/79/461798879.db2.gz RFJHSZUWQNNLQD-KDURUIRLSA-N 2 1 338.536 3.159 20 0 EGADMP Cc1cc(CO)cc(N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663778804 461802790 /nfs/dbraw/zinc/80/27/90/461802790.db2.gz IBJFZVHEKYOVDI-APWZRJJASA-N 2 1 325.456 3.205 20 0 EGADMP Cc1cc(CO)cc(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663778804 461802798 /nfs/dbraw/zinc/80/27/98/461802798.db2.gz IBJFZVHEKYOVDI-APWZRJJASA-N 2 1 325.456 3.205 20 0 EGADMP C[N@@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000656617981 461808910 /nfs/dbraw/zinc/80/89/10/461808910.db2.gz WYAJXOPGZOZTPI-OAQYLSRUSA-N 2 1 327.516 3.164 20 0 EGADMP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639247183 461825509 /nfs/dbraw/zinc/82/55/09/461825509.db2.gz TUIQQZJMSIIUMW-BSIFCXSSSA-N 2 1 338.499 3.309 20 0 EGADMP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639247183 461825511 /nfs/dbraw/zinc/82/55/11/461825511.db2.gz TUIQQZJMSIIUMW-BSIFCXSSSA-N 2 1 338.499 3.309 20 0 EGADMP C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1C[C@H]1CC[NH2+]C1)OCCO3 ZINC000647874475 461867203 /nfs/dbraw/zinc/86/72/03/461867203.db2.gz ZRNYYTFUJCIELH-CVEARBPZSA-N 2 1 342.483 3.256 20 0 EGADMP COc1ccc(CC[C@@H]2CCCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1OC ZINC000647883483 461870781 /nfs/dbraw/zinc/87/07/81/461870781.db2.gz VYLCLQZYFKHIQQ-ROUUACIJSA-N 2 1 332.488 3.100 20 0 EGADMP CC(C)CO[C@H](C)c1noc(C[N@H+](C)CCCC2CC[NH2+]CC2)n1 ZINC000647890814 461872268 /nfs/dbraw/zinc/87/22/68/461872268.db2.gz YIMFMJSJSGYVJV-OAHLLOKOSA-N 2 1 338.496 3.015 20 0 EGADMP CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CCCC2CC[NH2+]CC2)n1 ZINC000647890814 461872273 /nfs/dbraw/zinc/87/22/73/461872273.db2.gz YIMFMJSJSGYVJV-OAHLLOKOSA-N 2 1 338.496 3.015 20 0 EGADMP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656783893 461894869 /nfs/dbraw/zinc/89/48/69/461894869.db2.gz BASKKDYHFYVKNH-OAHLLOKOSA-N 2 1 330.501 3.350 20 0 EGADMP C[N@H+]1CCC[C@]2(CCN(CCSc3ccc(F)cc3F)C2)C1 ZINC000660641811 461898013 /nfs/dbraw/zinc/89/80/13/461898013.db2.gz KAOOIZMFFPPECT-KRWDZBQOSA-N 2 1 326.456 3.475 20 0 EGADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cccc(C4CCCC4)c3)C2)nn1 ZINC000656786608 461898314 /nfs/dbraw/zinc/89/83/14/461898314.db2.gz OGODCZKWEBMDOD-HXUWFJFHSA-N 2 1 339.487 3.232 20 0 EGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705751 461898561 /nfs/dbraw/zinc/89/85/61/461898561.db2.gz UJTIFBMMYXYQEE-CMKODMSKSA-N 2 1 332.488 3.192 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3F)C2)C1 ZINC000650706540 461898859 /nfs/dbraw/zinc/89/88/59/461898859.db2.gz NDHBBRMYKNFGKR-BJJXKVORSA-N 2 1 326.843 3.197 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc2cccnc12 ZINC000650707220 461899690 /nfs/dbraw/zinc/89/96/90/461899690.db2.gz ANIXLCCFDLFHJJ-UFYCRDLUSA-N 2 1 339.483 3.262 20 0 EGADMP COc1ccc([C@H](C)C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650707543 461901541 /nfs/dbraw/zinc/90/15/41/461901541.db2.gz IJJZGJWOQMJVRB-HYJFEMIMSA-N 2 1 332.488 3.017 20 0 EGADMP Cc1cc(Br)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC000650709893 461902682 /nfs/dbraw/zinc/90/26/82/461902682.db2.gz VZVUOAWICLCSKG-FZMZJTMJSA-N 2 1 329.307 3.380 20 0 EGADMP Cc1cc(Br)c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC000650709893 461902687 /nfs/dbraw/zinc/90/26/87/461902687.db2.gz VZVUOAWICLCSKG-FZMZJTMJSA-N 2 1 329.307 3.380 20 0 EGADMP C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654856 461904323 /nfs/dbraw/zinc/90/43/23/461904323.db2.gz IJROGBNYFTVERJ-RDTXWAMCSA-N 2 1 335.879 3.085 20 0 EGADMP COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)cc1 ZINC000647956136 461906631 /nfs/dbraw/zinc/90/66/31/461906631.db2.gz DWLBGJZOHFSXIG-QUCCMNQESA-N 2 1 334.504 3.313 20 0 EGADMP COc1ccc([C@@H]2CCCCC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)cc1 ZINC000647956136 461906633 /nfs/dbraw/zinc/90/66/33/461906633.db2.gz DWLBGJZOHFSXIG-QUCCMNQESA-N 2 1 334.504 3.313 20 0 EGADMP COc1ccc([C@@H]2CCCCC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000647956136 461906637 /nfs/dbraw/zinc/90/66/37/461906637.db2.gz DWLBGJZOHFSXIG-QUCCMNQESA-N 2 1 334.504 3.313 20 0 EGADMP COc1ccc([C@@H]2CCCCC[NH+]2C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000647956136 461906641 /nfs/dbraw/zinc/90/66/41/461906641.db2.gz DWLBGJZOHFSXIG-QUCCMNQESA-N 2 1 334.504 3.313 20 0 EGADMP COc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)cc1 ZINC000647956137 461906890 /nfs/dbraw/zinc/90/68/90/461906890.db2.gz DWLBGJZOHFSXIG-UYAOXDASSA-N 2 1 334.504 3.313 20 0 EGADMP COc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)cc1 ZINC000647956137 461906897 /nfs/dbraw/zinc/90/68/97/461906897.db2.gz DWLBGJZOHFSXIG-UYAOXDASSA-N 2 1 334.504 3.313 20 0 EGADMP COc1ccc([C@H]2CCCCC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000647956137 461906904 /nfs/dbraw/zinc/90/69/04/461906904.db2.gz DWLBGJZOHFSXIG-UYAOXDASSA-N 2 1 334.504 3.313 20 0 EGADMP COc1ccc([C@H]2CCCCC[NH+]2C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000647956137 461906912 /nfs/dbraw/zinc/90/69/12/461906912.db2.gz DWLBGJZOHFSXIG-UYAOXDASSA-N 2 1 334.504 3.313 20 0 EGADMP COc1ccc([C@H](C)C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650723036 461914610 /nfs/dbraw/zinc/91/46/10/461914610.db2.gz GOIPAUMJGISINV-RARDXLECSA-N 2 1 332.488 3.160 20 0 EGADMP CC(C)(C)c1cnc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650725395 461917332 /nfs/dbraw/zinc/91/73/32/461917332.db2.gz ZUCJLNSOILBYIY-KFWWJZLASA-N 2 1 337.533 3.301 20 0 EGADMP CC(C)(C)c1cnc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650725395 461917335 /nfs/dbraw/zinc/91/73/35/461917335.db2.gz ZUCJLNSOILBYIY-KFWWJZLASA-N 2 1 337.533 3.301 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975695 461917667 /nfs/dbraw/zinc/91/76/67/461917667.db2.gz DSMCKQAFRHWECB-OWCLPIDISA-N 2 1 349.906 3.379 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000647976111 461918109 /nfs/dbraw/zinc/91/81/09/461918109.db2.gz KECWMMSEWRHIQK-GVDBMIGSSA-N 2 1 347.478 3.173 20 0 EGADMP CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976327 461918272 /nfs/dbraw/zinc/91/82/72/461918272.db2.gz NCCHGPKYLNBNAB-RBUKOAKNSA-N 2 1 343.515 3.208 20 0 EGADMP Fc1ccccc1-c1noc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647978214 461921147 /nfs/dbraw/zinc/92/11/47/461921147.db2.gz OJICJRRTHLISQG-HUUCEWRRSA-N 2 1 344.434 3.087 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000657293703 462023456 /nfs/dbraw/zinc/02/34/56/462023456.db2.gz UBAQNNVICURQQG-MSOLQXFVSA-N 2 1 334.504 3.454 20 0 EGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657335505 462054211 /nfs/dbraw/zinc/05/42/11/462054211.db2.gz KPZLBMIVDNGXMH-FQEVSTJZSA-N 2 1 332.488 3.208 20 0 EGADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3ccnn3CC3CC3)C2)c1 ZINC000657338340 462056371 /nfs/dbraw/zinc/05/63/71/462056371.db2.gz NNYQQOZQLYPGQL-KRWDZBQOSA-N 2 1 344.528 3.356 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3ccnn3CC3CC3)C2)c1 ZINC000657338340 462056377 /nfs/dbraw/zinc/05/63/77/462056377.db2.gz NNYQQOZQLYPGQL-KRWDZBQOSA-N 2 1 344.528 3.356 20 0 EGADMP CCc1cccc2cc(C[NH2+]CCCC[N@H+]3CCC[C@@H]3CO)oc21 ZINC000657357066 462068695 /nfs/dbraw/zinc/06/86/95/462068695.db2.gz VZUMOKJQFHFBTF-GOSISDBHSA-N 2 1 330.472 3.322 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)C2)CC1 ZINC000639759692 462095305 /nfs/dbraw/zinc/09/53/05/462095305.db2.gz GUUQMHNXWMUIQC-UHFFFAOYSA-N 2 1 329.419 3.398 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000667534868 462132518 /nfs/dbraw/zinc/13/25/18/462132518.db2.gz NPWHPKZHOMCFKI-NRFANRHFSA-N 2 1 346.515 3.407 20 0 EGADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(C[NH+]2CCCC2)cc1 ZINC000654307266 462148629 /nfs/dbraw/zinc/14/86/29/462148629.db2.gz QUSGVGXJBACZGV-UXHICEINSA-N 2 1 341.499 3.029 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000667676923 462208993 /nfs/dbraw/zinc/20/89/93/462208993.db2.gz CJEYGLNCLBOAGE-PKOBYXMFSA-N 2 1 334.504 3.264 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000667676923 462208999 /nfs/dbraw/zinc/20/89/99/462208999.db2.gz CJEYGLNCLBOAGE-PKOBYXMFSA-N 2 1 334.504 3.264 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000667676923 462209006 /nfs/dbraw/zinc/20/90/06/462209006.db2.gz CJEYGLNCLBOAGE-PKOBYXMFSA-N 2 1 334.504 3.264 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000667676923 462209012 /nfs/dbraw/zinc/20/90/12/462209012.db2.gz CJEYGLNCLBOAGE-PKOBYXMFSA-N 2 1 334.504 3.264 20 0 EGADMP COC[C@]1(C)CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000648643450 462212978 /nfs/dbraw/zinc/21/29/78/462212978.db2.gz WYIUGJJZHYSFRQ-HXUWFJFHSA-N 2 1 332.488 3.020 20 0 EGADMP Fc1ccc2c(c1)OC[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000657674329 462226283 /nfs/dbraw/zinc/22/62/83/462226283.db2.gz VRJJWHPZDLZFEV-HXUWFJFHSA-N 2 1 340.442 3.383 20 0 EGADMP Cn1cncc1CC[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000661386365 462226450 /nfs/dbraw/zinc/22/64/50/462226450.db2.gz SDGXKTSRBFASNB-UHFFFAOYSA-N 2 1 339.270 3.092 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667727967 462233258 /nfs/dbraw/zinc/23/32/58/462233258.db2.gz LOVYPDYJPYATSB-FUHWJXTLSA-N 2 1 344.503 3.264 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)Nc1cccc(C[NH3+])c1)c1ccccc1Cl ZINC000667732723 462237406 /nfs/dbraw/zinc/23/74/06/462237406.db2.gz QGJRONOUKJUHED-QGZVFWFLSA-N 2 1 346.862 3.223 20 0 EGADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@H+]1C ZINC000648753775 462262414 /nfs/dbraw/zinc/26/24/14/462262414.db2.gz IRTFSAJKMPYXND-VQIMIIECSA-N 2 1 329.488 3.341 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)c1 ZINC000667854124 462295576 /nfs/dbraw/zinc/29/55/76/462295576.db2.gz GTKNAEBRZUURSV-UHFFFAOYSA-N 2 1 338.455 3.063 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc4c3CCC4)cc2)CC1 ZINC000651678658 462300635 /nfs/dbraw/zinc/30/06/35/462300635.db2.gz YGGAXAUXWHDTKK-UHFFFAOYSA-N 2 1 349.522 3.213 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCn3nccc32)[C@H]1c1cccs1 ZINC000657886314 462307262 /nfs/dbraw/zinc/30/72/62/462307262.db2.gz DSPYZVYGBAOIHK-VKJFTORMSA-N 2 1 330.501 3.452 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCn3nccc32)[C@H]1c1cccs1 ZINC000657886314 462307268 /nfs/dbraw/zinc/30/72/68/462307268.db2.gz DSPYZVYGBAOIHK-VKJFTORMSA-N 2 1 330.501 3.452 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCn3nccc32)[C@@H]1c1cccs1 ZINC000657886312 462307335 /nfs/dbraw/zinc/30/73/35/462307335.db2.gz DSPYZVYGBAOIHK-RVKKMQEKSA-N 2 1 330.501 3.452 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCn3nccc32)[C@@H]1c1cccs1 ZINC000657886312 462307342 /nfs/dbraw/zinc/30/73/42/462307342.db2.gz DSPYZVYGBAOIHK-RVKKMQEKSA-N 2 1 330.501 3.452 20 0 EGADMP C[NH+]1CCC2(CC1)CN(c1cc[nH+]c3cc(Cl)ccc31)CCO2 ZINC000645387082 462308098 /nfs/dbraw/zinc/30/80/98/462308098.db2.gz JTAUIKFXNQQQAV-UHFFFAOYSA-N 2 1 331.847 3.189 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000668027995 462381517 /nfs/dbraw/zinc/38/15/17/462381517.db2.gz VTLHTYJNJUKKIU-KRWDZBQOSA-N 2 1 332.488 3.161 20 0 EGADMP CC(C)C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)cc1 ZINC000665292032 462389143 /nfs/dbraw/zinc/38/91/43/462389143.db2.gz QYVHKKKNIOLOAH-OAHLLOKOSA-N 2 1 334.851 3.171 20 0 EGADMP Cc1ccc(NC(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)c(C)c1 ZINC000640532121 462430565 /nfs/dbraw/zinc/43/05/65/462430565.db2.gz WYQVAZWEMSYAKZ-UHFFFAOYSA-N 2 1 331.504 3.440 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)c(C)c1 ZINC000640532121 462430568 /nfs/dbraw/zinc/43/05/68/462430568.db2.gz WYQVAZWEMSYAKZ-UHFFFAOYSA-N 2 1 331.504 3.440 20 0 EGADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc(-c2cccs2)no1 ZINC000640531079 462430802 /nfs/dbraw/zinc/43/08/02/462430802.db2.gz DJIMLGJBXXDHOX-UHFFFAOYSA-N 2 1 334.489 3.496 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc(-c2cccs2)no1 ZINC000640531079 462430809 /nfs/dbraw/zinc/43/08/09/462430809.db2.gz DJIMLGJBXXDHOX-UHFFFAOYSA-N 2 1 334.489 3.496 20 0 EGADMP c1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)nc1 ZINC000658229959 462437068 /nfs/dbraw/zinc/43/70/68/462437068.db2.gz VNDZNMRZJXYEOX-GOSISDBHSA-N 2 1 328.504 3.047 20 0 EGADMP c1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)nc1 ZINC000658229959 462437070 /nfs/dbraw/zinc/43/70/70/462437070.db2.gz VNDZNMRZJXYEOX-GOSISDBHSA-N 2 1 328.504 3.047 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OC)c2C)[C@H](C)C1 ZINC000658352311 462487248 /nfs/dbraw/zinc/48/72/48/462487248.db2.gz HWWIWAKZHZLUIX-APWZRJJASA-N 2 1 334.504 3.230 20 0 EGADMP Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000649418545 462504547 /nfs/dbraw/zinc/50/45/47/462504547.db2.gz UWFUPHHIYLHGJY-SJORKVTESA-N 2 1 325.456 3.472 20 0 EGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(NC[C@@H]2CCC[C@@H]([NH3+])C2)cc[nH+]1 ZINC000514593852 467941659 /nfs/dbraw/zinc/94/16/59/467941659.db2.gz YZWDZINAVWMIGX-CBZIJGRNSA-N 2 1 347.507 3.022 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000178701988 533795972 /nfs/dbraw/zinc/79/59/72/533795972.db2.gz VUAIDQLFIZRNBF-CABCVRRESA-N 2 1 331.460 3.066 20 0 EGADMP C[C@H](CN[C@H](C)c1cccc(OCC[NH+](C)C)c1)C[NH+]1CCCC1 ZINC000165289406 534125063 /nfs/dbraw/zinc/12/50/63/534125063.db2.gz ODBOKYDTFDHAFO-QZTJIDSGSA-N 2 1 333.520 3.010 20 0 EGADMP CC[N@H+]1CC[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000133025024 527807607 /nfs/dbraw/zinc/80/76/07/527807607.db2.gz CQLVGNNCXHCXGG-VURPSTOHSA-N 2 1 329.532 3.359 20 0 EGADMP CC[NH+]1CC[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000133025024 527807610 /nfs/dbraw/zinc/80/76/10/527807610.db2.gz CQLVGNNCXHCXGG-VURPSTOHSA-N 2 1 329.532 3.359 20 0 EGADMP CC[NH+]1CC[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000133025024 527807614 /nfs/dbraw/zinc/80/76/14/527807614.db2.gz CQLVGNNCXHCXGG-VURPSTOHSA-N 2 1 329.532 3.359 20 0 EGADMP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C12CCC2 ZINC000181540988 528097723 /nfs/dbraw/zinc/09/77/23/528097723.db2.gz SXAYBNGYMHFMCZ-SJORKVTESA-N 2 1 326.444 3.013 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000165999704 528834048 /nfs/dbraw/zinc/83/40/48/528834048.db2.gz YXZORJHQADFDOX-IHWFROFDSA-N 2 1 343.515 3.064 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)Cc2ccccc2)C1 ZINC000354602814 535258658 /nfs/dbraw/zinc/25/86/58/535258658.db2.gz MCLQRIXXUSBTIZ-VQTJNVASSA-N 2 1 345.531 3.087 20 0 EGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)[N@H+](C)Cc2ccccc2)C1 ZINC000354602814 535258664 /nfs/dbraw/zinc/25/86/64/535258664.db2.gz MCLQRIXXUSBTIZ-VQTJNVASSA-N 2 1 345.531 3.087 20 0 EGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)[N@@H+](C)Cc2ccccc2)C1 ZINC000354602814 535258670 /nfs/dbraw/zinc/25/86/70/535258670.db2.gz MCLQRIXXUSBTIZ-VQTJNVASSA-N 2 1 345.531 3.087 20 0 EGADMP C[N@H+]1CCCC[C@H]1CCN1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000351692167 536357688 /nfs/dbraw/zinc/35/76/88/536357688.db2.gz LEUAYQCBOGISED-FQEVSTJZSA-N 2 1 333.495 3.208 20 0 EGADMP C[NH+]1CCCC[C@H]1CCN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000351692167 536357691 /nfs/dbraw/zinc/35/76/91/536357691.db2.gz LEUAYQCBOGISED-FQEVSTJZSA-N 2 1 333.495 3.208 20 0 EGADMP C[NH+]1CCCC[C@H]1CCN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000351692167 536357693 /nfs/dbraw/zinc/35/76/93/536357693.db2.gz LEUAYQCBOGISED-FQEVSTJZSA-N 2 1 333.495 3.208 20 0 EGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000351692167 536357696 /nfs/dbraw/zinc/35/76/96/536357696.db2.gz LEUAYQCBOGISED-FQEVSTJZSA-N 2 1 333.495 3.208 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000351692167 536357698 /nfs/dbraw/zinc/35/76/98/536357698.db2.gz LEUAYQCBOGISED-FQEVSTJZSA-N 2 1 333.495 3.208 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000351692167 536357700 /nfs/dbraw/zinc/35/77/00/536357700.db2.gz LEUAYQCBOGISED-FQEVSTJZSA-N 2 1 333.495 3.208 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000351692167 536357703 /nfs/dbraw/zinc/35/77/03/536357703.db2.gz LEUAYQCBOGISED-FQEVSTJZSA-N 2 1 333.495 3.208 20 0 EGADMP Cc1nc2ccccc2nc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179171505 547044169 /nfs/dbraw/zinc/04/41/69/547044169.db2.gz NXONGUMRGLEKOU-IIBYNOLFSA-N 2 1 336.483 3.387 20 0 EGADMP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179171505 547044175 /nfs/dbraw/zinc/04/41/75/547044175.db2.gz NXONGUMRGLEKOU-IIBYNOLFSA-N 2 1 336.483 3.387 20 0 EGADMP Cc1nc2ccccc2nc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179171505 547044187 /nfs/dbraw/zinc/04/41/87/547044187.db2.gz NXONGUMRGLEKOU-IIBYNOLFSA-N 2 1 336.483 3.387 20 0 EGADMP Cc1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)[NH+]2CCCC2)cc1 ZINC000339066899 547567797 /nfs/dbraw/zinc/56/77/97/547567797.db2.gz JABLVGHPNQXDAB-ACRUOGEOSA-N 2 1 327.516 3.348 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339072651 547567976 /nfs/dbraw/zinc/56/79/76/547567976.db2.gz YHXAFNJHSSXPJX-UIFIKXQLSA-N 2 1 327.516 3.428 20 0 EGADMP COc1ccccc1[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCCC1 ZINC000339067841 547569430 /nfs/dbraw/zinc/56/94/30/547569430.db2.gz JMBYSRPTJQBOLI-BJLQDIEVSA-N 2 1 343.515 3.049 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCCC1 ZINC000339067841 547569433 /nfs/dbraw/zinc/56/94/33/547569433.db2.gz JMBYSRPTJQBOLI-BJLQDIEVSA-N 2 1 343.515 3.049 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCCC1 ZINC000339067841 547569435 /nfs/dbraw/zinc/56/94/35/547569435.db2.gz JMBYSRPTJQBOLI-BJLQDIEVSA-N 2 1 343.515 3.049 20 0 EGADMP COc1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)[NH+]2CCCC2)cc1 ZINC000339068914 547569640 /nfs/dbraw/zinc/56/96/40/547569640.db2.gz RYKKWGIZDZWRRB-DYXWJJEUSA-N 2 1 343.515 3.049 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)N2CCCC2)cc1 ZINC000339068914 547569642 /nfs/dbraw/zinc/56/96/42/547569642.db2.gz RYKKWGIZDZWRRB-DYXWJJEUSA-N 2 1 343.515 3.049 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)N2CCCC2)cc1 ZINC000339068914 547569647 /nfs/dbraw/zinc/56/96/47/547569647.db2.gz RYKKWGIZDZWRRB-DYXWJJEUSA-N 2 1 343.515 3.049 20 0 EGADMP COc1cc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000399208898 547836800 /nfs/dbraw/zinc/83/68/00/547836800.db2.gz TYGHNCPLMKAMQU-GDBMZVCRSA-N 2 1 331.485 3.152 20 0 EGADMP COc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)sn1 ZINC000399208898 547836802 /nfs/dbraw/zinc/83/68/02/547836802.db2.gz TYGHNCPLMKAMQU-GDBMZVCRSA-N 2 1 331.485 3.152 20 0 EGADMP COc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000399208898 547836804 /nfs/dbraw/zinc/83/68/04/547836804.db2.gz TYGHNCPLMKAMQU-GDBMZVCRSA-N 2 1 331.485 3.152 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000414931623 547861045 /nfs/dbraw/zinc/86/10/45/547861045.db2.gz UUVFZADUILDKBC-ZIAGYGMSSA-N 2 1 349.276 3.199 20 0 EGADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cccc(-c4ccccc4)c3)C2)nn1 ZINC000415120512 547863483 /nfs/dbraw/zinc/86/34/83/547863483.db2.gz GEABPZIKSMXLEH-NRFANRHFSA-N 2 1 347.466 3.241 20 0 EGADMP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@H](C)[C@H](C)O1 ZINC000446072587 547924254 /nfs/dbraw/zinc/92/42/54/547924254.db2.gz VBJOKPGRLWMMOB-IJANMDNKSA-N 2 1 326.525 3.152 20 0 EGADMP C[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@H](C)[C@H](C)O1 ZINC000446072587 547924256 /nfs/dbraw/zinc/92/42/56/547924256.db2.gz VBJOKPGRLWMMOB-IJANMDNKSA-N 2 1 326.525 3.152 20 0 EGADMP C[C@@H]1C[N@H+](CCCCC[NH+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@H](C)[C@H](C)O1 ZINC000446072587 547924259 /nfs/dbraw/zinc/92/42/59/547924259.db2.gz VBJOKPGRLWMMOB-IJANMDNKSA-N 2 1 326.525 3.152 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)C1 ZINC000673600344 548579986 /nfs/dbraw/zinc/57/99/86/548579986.db2.gz DCXOEKPNNDSPFY-STQMWFEESA-N 2 1 343.284 3.451 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)C1 ZINC000673600342 548580251 /nfs/dbraw/zinc/58/02/51/548580251.db2.gz DCXOEKPNNDSPFY-QWHCGFSZSA-N 2 1 343.284 3.451 20 0 EGADMP Cc1ccc2ccccc2c1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000675965199 549011924 /nfs/dbraw/zinc/01/19/24/549011924.db2.gz QDPUQJZNWFDGSK-HXUWFJFHSA-N 2 1 337.511 3.360 20 0 EGADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)Cc1cccc(O)c1 ZINC000676413363 549084741 /nfs/dbraw/zinc/08/47/41/549084741.db2.gz CPMIDWOGSVUPSU-UHFFFAOYSA-N 2 1 340.467 3.499 20 0 EGADMP Cc1nc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)s1 ZINC000676493367 549097021 /nfs/dbraw/zinc/09/70/21/549097021.db2.gz WTYUBTNQFFDUCQ-LBPRGKRZSA-N 2 1 345.516 3.486 20 0 EGADMP Cc1ccc(-c2nc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)co2)cc1 ZINC000677237992 549235080 /nfs/dbraw/zinc/23/50/80/549235080.db2.gz UEHGSWYOYOJNIB-HKUYNNGSSA-N 2 1 325.456 3.409 20 0 EGADMP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1)CC(C)C ZINC000678654105 549543007 /nfs/dbraw/zinc/54/30/07/549543007.db2.gz WSAMSTBTKJJUBF-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1)CC(C)C ZINC000678654105 549543010 /nfs/dbraw/zinc/54/30/10/549543010.db2.gz WSAMSTBTKJJUBF-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1)CC(C)C ZINC000678654105 549543013 /nfs/dbraw/zinc/54/30/13/549543013.db2.gz WSAMSTBTKJJUBF-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1C[C@H](Nc2ccc(CC[NH+]3CCSCC3)cc2)CC[N@H+]1C ZINC000679143690 549643693 /nfs/dbraw/zinc/64/36/93/549643693.db2.gz YPAPBNVTEXOUGC-VQIMIIECSA-N 2 1 333.545 3.173 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@H]1CCC[NH+](Cc2ccc(O)cc2)CC1 ZINC000682406575 550095507 /nfs/dbraw/zinc/09/55/07/550095507.db2.gz FYQAOVQIKZRESP-IBGZPJMESA-N 2 1 325.456 3.274 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH+](Cc2ccc(O)cc2)CC1 ZINC000682406575 550095509 /nfs/dbraw/zinc/09/55/09/550095509.db2.gz FYQAOVQIKZRESP-IBGZPJMESA-N 2 1 325.456 3.274 20 0 EGADMP C[NH+](Cc1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(O)cc2)CC1 ZINC000682406575 550095511 /nfs/dbraw/zinc/09/55/11/550095511.db2.gz FYQAOVQIKZRESP-IBGZPJMESA-N 2 1 325.456 3.274 20 0 EGADMP C[NH+](Cc1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(O)cc2)CC1 ZINC000682406575 550095513 /nfs/dbraw/zinc/09/55/13/550095513.db2.gz FYQAOVQIKZRESP-IBGZPJMESA-N 2 1 325.456 3.274 20 0 EGADMP C[N@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CCc2ccccc21 ZINC000683787767 550261802 /nfs/dbraw/zinc/26/18/02/550261802.db2.gz PYMWMVARMBDUIH-FCHUYYIVSA-N 2 1 336.479 3.243 20 0 EGADMP C[N@@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CCc2ccccc21 ZINC000683787767 550261805 /nfs/dbraw/zinc/26/18/05/550261805.db2.gz PYMWMVARMBDUIH-FCHUYYIVSA-N 2 1 336.479 3.243 20 0 EGADMP C[NH+](C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCc2ccccc21 ZINC000683787767 550261807 /nfs/dbraw/zinc/26/18/07/550261807.db2.gz PYMWMVARMBDUIH-FCHUYYIVSA-N 2 1 336.479 3.243 20 0 EGADMP C[NH+](C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCc2ccccc21 ZINC000683787767 550261810 /nfs/dbraw/zinc/26/18/10/550261810.db2.gz PYMWMVARMBDUIH-FCHUYYIVSA-N 2 1 336.479 3.243 20 0 EGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000684557552 550342963 /nfs/dbraw/zinc/34/29/63/550342963.db2.gz WTGYUFCBQHKPQT-KPACCLEDSA-N 2 1 328.500 3.302 20 0 EGADMP CO[C@]1(C)CCC[N@@H+](C/C=C\C[NH+]2CCC[C@](C)(OC)CC2)CC1 ZINC000684622746 550349845 /nfs/dbraw/zinc/34/98/45/550349845.db2.gz AHAKANWSVSDGQI-GGJLBNBESA-N 2 1 338.536 3.325 20 0 EGADMP CO[C@]1(C)CCC[NH+](C/C=C\C[N@@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000684622746 550349846 /nfs/dbraw/zinc/34/98/46/550349846.db2.gz AHAKANWSVSDGQI-GGJLBNBESA-N 2 1 338.536 3.325 20 0 EGADMP CO[C@]1(C)CCC[NH+](C/C=C\C[N@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000684622746 550349847 /nfs/dbraw/zinc/34/98/47/550349847.db2.gz AHAKANWSVSDGQI-GGJLBNBESA-N 2 1 338.536 3.325 20 0 EGADMP CC[C@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457573 550418866 /nfs/dbraw/zinc/41/88/66/550418866.db2.gz FGNCGRMMCMDTHX-NQIIRXRSSA-N 2 1 329.532 3.281 20 0 EGADMP C[C@@H](CCc1ccccc1)C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457620 550419291 /nfs/dbraw/zinc/41/92/91/550419291.db2.gz HCAXZUUUIBWJNG-UGKGYDQZSA-N 2 1 343.559 3.356 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000728572104 574759265 /nfs/dbraw/zinc/75/92/65/574759265.db2.gz RDIQRDYMTMWDES-SFHVURJKSA-N 2 1 326.431 3.050 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000733780436 575392318 /nfs/dbraw/zinc/39/23/18/575392318.db2.gz UYBAZDLBENULQH-MJGOQNOKSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000733780436 575392322 /nfs/dbraw/zinc/39/23/22/575392322.db2.gz UYBAZDLBENULQH-MJGOQNOKSA-N 2 1 346.519 3.085 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000383323683 576254003 /nfs/dbraw/zinc/25/40/03/576254003.db2.gz BSFDKMLAHFKYHB-UYAOXDASSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000383323683 576254006 /nfs/dbraw/zinc/25/40/06/576254006.db2.gz BSFDKMLAHFKYHB-UYAOXDASSA-N 2 1 329.532 3.219 20 0 EGADMP COc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000742370922 576774748 /nfs/dbraw/zinc/77/47/48/576774748.db2.gz VCEWWCSGOUQPRR-INIZCTEOSA-N 2 1 338.879 3.082 20 0 EGADMP CCC[C@H]1CC(=O)N(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000743354146 576806513 /nfs/dbraw/zinc/80/65/13/576806513.db2.gz MUFDRFDVOOVDHX-IBGZPJMESA-N 2 1 335.536 3.181 20 0 EGADMP C[C@H](CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)[NH+](C)C ZINC000895300395 1309276286 /nfs/dbraw/zinc/27/62/86/1309276286.db2.gz WIKKLAWPNBMZQB-QGZVFWFLSA-N 2 1 349.482 3.364 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000063917498 1292031053 /nfs/dbraw/zinc/03/10/53/1292031053.db2.gz PGTMKGYWONTDSC-HXUWFJFHSA-N 2 1 339.483 3.482 20 0 EGADMP CC(C)Oc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000067452682 1292161166 /nfs/dbraw/zinc/16/11/66/1292161166.db2.gz IHFLISZPNSRSAP-HDICACEKSA-N 2 1 334.504 3.453 20 0 EGADMP CO[C@H](C)C[N@@H+](C)Cc1cc(Cl)cc(C[NH+](C)C[C@H](C)OC)c1 ZINC000829767613 1292616924 /nfs/dbraw/zinc/61/69/24/1292616924.db2.gz AEZDYCGEAUMRFQ-GASCZTMLSA-N 2 1 342.911 3.273 20 0 EGADMP CO[C@H](C)C[NH+](C)Cc1cc(Cl)cc(C[N@H+](C)C[C@H](C)OC)c1 ZINC000829767613 1292616927 /nfs/dbraw/zinc/61/69/27/1292616927.db2.gz AEZDYCGEAUMRFQ-GASCZTMLSA-N 2 1 342.911 3.273 20 0 EGADMP CO[C@H](C)C[NH+](C)Cc1cc(Cl)cc(C[N@@H+](C)C[C@H](C)OC)c1 ZINC000829767613 1292616935 /nfs/dbraw/zinc/61/69/35/1292616935.db2.gz AEZDYCGEAUMRFQ-GASCZTMLSA-N 2 1 342.911 3.273 20 0 EGADMP CCC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000089157086 1292759267 /nfs/dbraw/zinc/75/92/67/1292759267.db2.gz ATJKKXFVFPINIB-KXBFYZLASA-N 2 1 349.544 3.122 20 0 EGADMP CCC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000089157086 1292759271 /nfs/dbraw/zinc/75/92/71/1292759271.db2.gz ATJKKXFVFPINIB-KXBFYZLASA-N 2 1 349.544 3.122 20 0 EGADMP Cc1c(C(=O)Nc2ccc(C)cc2C[NH+](C)C)cnn1-c1cc[nH+]cc1 ZINC000090623323 1292801345 /nfs/dbraw/zinc/80/13/45/1292801345.db2.gz XUITXYLHFCCYKN-UHFFFAOYSA-N 2 1 349.438 3.198 20 0 EGADMP COCC[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000109069211 1293087066 /nfs/dbraw/zinc/08/70/66/1293087066.db2.gz KYSHPASCDDRJFG-UHFFFAOYSA-N 2 1 348.821 3.142 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000120805763 1293339707 /nfs/dbraw/zinc/33/97/07/1293339707.db2.gz XNCHHELDAJAWJG-INIZCTEOSA-N 2 1 327.472 3.398 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000120805763 1293339714 /nfs/dbraw/zinc/33/97/14/1293339714.db2.gz XNCHHELDAJAWJG-INIZCTEOSA-N 2 1 327.472 3.398 20 0 EGADMP COc1cc(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000120811175 1293340733 /nfs/dbraw/zinc/34/07/33/1293340733.db2.gz GMHJPWOOGAAUDY-KRWDZBQOSA-N 2 1 334.504 3.470 20 0 EGADMP COc1ccccc1CNC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000131117505 1293680035 /nfs/dbraw/zinc/68/00/35/1293680035.db2.gz MHHIZMNYEYHSIH-INIZCTEOSA-N 2 1 325.456 3.405 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnc3cnccn23)cc1 ZINC000156610278 1294150945 /nfs/dbraw/zinc/15/09/45/1294150945.db2.gz DKARZLKGFHAGAL-QGZVFWFLSA-N 2 1 349.482 3.394 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3([NH+](C)C)CCC3)cc2)C1 ZINC000158728318 1294212779 /nfs/dbraw/zinc/21/27/79/1294212779.db2.gz VGNNPMYXZXNVJM-MRXNPFEDSA-N 2 1 329.488 3.341 20 0 EGADMP CCn1nccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000160004194 1294253825 /nfs/dbraw/zinc/25/38/25/1294253825.db2.gz SQLSCQKDOVLGIZ-QGZVFWFLSA-N 2 1 326.488 3.425 20 0 EGADMP CCn1nccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000160004194 1294253832 /nfs/dbraw/zinc/25/38/32/1294253832.db2.gz SQLSCQKDOVLGIZ-QGZVFWFLSA-N 2 1 326.488 3.425 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000166449738 1294363009 /nfs/dbraw/zinc/36/30/09/1294363009.db2.gz MSRKBUBVAAJWMQ-OKYOBFRVSA-N 2 1 335.536 3.007 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000178217608 1294723362 /nfs/dbraw/zinc/72/33/62/1294723362.db2.gz WJISPYOAVHSTSL-UWVAXJGDSA-N 2 1 346.515 3.409 20 0 EGADMP C[C@H]([NH2+]CC(=O)NC1CCCCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185731242 1295281676 /nfs/dbraw/zinc/28/16/76/1295281676.db2.gz IDWOOYVFGSBLBI-ROUUACIJSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@H]([NH2+]CC(=O)NC1CCCCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185731242 1295281683 /nfs/dbraw/zinc/28/16/83/1295281683.db2.gz IDWOOYVFGSBLBI-ROUUACIJSA-N 2 1 349.563 3.458 20 0 EGADMP CN1c2ccc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc2CCC1=O ZINC000187007113 1295362457 /nfs/dbraw/zinc/36/24/57/1295362457.db2.gz QZCZAWXSABLBRE-IBGZPJMESA-N 2 1 341.499 3.046 20 0 EGADMP CN1c2ccc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc2CCC1=O ZINC000187007113 1295362470 /nfs/dbraw/zinc/36/24/70/1295362470.db2.gz QZCZAWXSABLBRE-IBGZPJMESA-N 2 1 341.499 3.046 20 0 EGADMP CCCn1ccnc1CCC[N@@H+](C)CC(=O)NC1CCCCCCC1 ZINC000191486589 1295685664 /nfs/dbraw/zinc/68/56/64/1295685664.db2.gz LICYRXVDGLJHBB-UHFFFAOYSA-N 2 1 348.535 3.387 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)NC1CCCCCCC1 ZINC000191486589 1295685684 /nfs/dbraw/zinc/68/56/84/1295685684.db2.gz LICYRXVDGLJHBB-UHFFFAOYSA-N 2 1 348.535 3.387 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192663416 1295787744 /nfs/dbraw/zinc/78/77/44/1295787744.db2.gz YYUGMPGGVGNFGI-NSHDSACASA-N 2 1 335.275 3.318 20 0 EGADMP COCCN(C)CCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192663416 1295787748 /nfs/dbraw/zinc/78/77/48/1295787748.db2.gz YYUGMPGGVGNFGI-NSHDSACASA-N 2 1 335.275 3.318 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000870907247 1296135605 /nfs/dbraw/zinc/13/56/05/1296135605.db2.gz JIFPUIKRXHFVNB-BHIYHBOVSA-N 2 1 335.536 3.007 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+]C2CC[NH+](CC)CC2)cc1OC ZINC000236842240 1296207673 /nfs/dbraw/zinc/20/76/73/1296207673.db2.gz HFIRHXIHOVKTNY-UHFFFAOYSA-N 2 1 326.868 3.321 20 0 EGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000261545693 1296594388 /nfs/dbraw/zinc/59/43/88/1296594388.db2.gz GJESSCTWAZNMRI-HKBOAZHASA-N 3 1 329.532 3.396 20 0 EGADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000261545693 1296594398 /nfs/dbraw/zinc/59/43/98/1296594398.db2.gz GJESSCTWAZNMRI-HKBOAZHASA-N 2 1 329.532 3.396 20 0 EGADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000261545693 1296594404 /nfs/dbraw/zinc/59/44/04/1296594404.db2.gz GJESSCTWAZNMRI-HKBOAZHASA-N 2 1 329.532 3.396 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1)c1cccc2ccccc21 ZINC000261674192 1296597886 /nfs/dbraw/zinc/59/78/86/1296597886.db2.gz JJAWKTJSRSMCOB-CKJXQJPGSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1)c1cccc2ccccc21 ZINC000261674192 1296597895 /nfs/dbraw/zinc/59/78/95/1296597895.db2.gz JJAWKTJSRSMCOB-CKJXQJPGSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc(O)c1F ZINC000872027452 1296674364 /nfs/dbraw/zinc/67/43/64/1296674364.db2.gz DKLPNDVVKCBQRA-CQSZACIVSA-N 2 1 332.419 3.323 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(C(F)(F)F)co3)CC2)C1 ZINC000872145836 1296766795 /nfs/dbraw/zinc/76/67/95/1296766795.db2.gz WRCLAOYLUAPLBB-UKRRQHHQSA-N 2 1 332.366 3.017 20 0 EGADMP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157388 1296777649 /nfs/dbraw/zinc/77/76/49/1296777649.db2.gz MZZMPYQKJRHLTB-JTDSTZFVSA-N 2 1 335.536 3.053 20 0 EGADMP CO[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308387358 1297068367 /nfs/dbraw/zinc/06/83/67/1297068367.db2.gz FTDZCBPMJWSEKQ-AQNXPRMDSA-N 2 1 328.500 3.446 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000310045095 1297083568 /nfs/dbraw/zinc/08/35/68/1297083568.db2.gz BEEZBFIFHNGUPV-ULQDDVLXSA-N 2 1 341.540 3.484 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000310045095 1297083583 /nfs/dbraw/zinc/08/35/83/1297083583.db2.gz BEEZBFIFHNGUPV-ULQDDVLXSA-N 2 1 341.540 3.484 20 0 EGADMP C[C@]1(C[NH2+]C[C@@H](O)c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310889660 1297104057 /nfs/dbraw/zinc/10/40/57/1297104057.db2.gz KGKMGQHAXCCULC-NHCUHLMSSA-N 2 1 342.458 3.361 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000320808177 1297171917 /nfs/dbraw/zinc/17/19/17/1297171917.db2.gz WTGUFJLPRKLZCN-CZUORRHYSA-N 2 1 330.394 3.059 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000320808167 1297172150 /nfs/dbraw/zinc/17/21/50/1297172150.db2.gz WTGUFJLPRKLZCN-BBRMVZONSA-N 2 1 330.394 3.059 20 0 EGADMP c1ccc(C(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc2)cc1 ZINC000327841593 1297251648 /nfs/dbraw/zinc/25/16/48/1297251648.db2.gz RJAFJIUSBGXVRW-LEWJYISDSA-N 2 1 336.479 3.271 20 0 EGADMP c1ccc(C(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c2ccccc2)cc1 ZINC000327841593 1297251660 /nfs/dbraw/zinc/25/16/60/1297251660.db2.gz RJAFJIUSBGXVRW-LEWJYISDSA-N 2 1 336.479 3.271 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc3ncccc23)C1 ZINC000873101656 1297273807 /nfs/dbraw/zinc/27/38/07/1297273807.db2.gz GPZSDAYHENGTDH-FQEVSTJZSA-N 2 1 347.462 3.091 20 0 EGADMP c1c(C[N@H+]2CCCN(c3ccccc3)CC2)sc2c1C[NH2+]CC2 ZINC000873203398 1297347286 /nfs/dbraw/zinc/34/72/86/1297347286.db2.gz CCJWHKHTVUKGQS-UHFFFAOYSA-N 2 1 327.497 3.106 20 0 EGADMP CC(C)c1ccc([C@@H]([NH3+])CNCc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873211422 1297356358 /nfs/dbraw/zinc/35/63/58/1297356358.db2.gz ZVGZUEJTANYFAJ-SFHVURJKSA-N 2 1 329.513 3.307 20 0 EGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2cnc3ccccn23)C1)C1CCCC1 ZINC000873231785 1297373642 /nfs/dbraw/zinc/37/36/42/1297373642.db2.gz DFIGUUBBNRUOJM-QFBILLFUSA-N 2 1 326.488 3.454 20 0 EGADMP Nc1cc(F)cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000873287743 1297411084 /nfs/dbraw/zinc/41/10/84/1297411084.db2.gz JPNXODKGZMVQBJ-UHFFFAOYSA-N 2 1 327.447 3.205 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nccn3C)C2)cc1C ZINC000365664077 1297508386 /nfs/dbraw/zinc/50/83/86/1297508386.db2.gz PASDGHVWPOMNAV-DLBZAZTESA-N 2 1 340.471 3.244 20 0 EGADMP C[C@@H](CC[NH2+]C[C@@H](O)c1ccccc1F)[N@H+](C)Cc1ccccc1 ZINC000379615098 1297534541 /nfs/dbraw/zinc/53/45/41/1297534541.db2.gz AEEIICZAIOTYTR-OXJNMPFZSA-N 2 1 330.447 3.359 20 0 EGADMP C[C@@H](CC[NH2+]C[C@@H](O)c1ccccc1F)[N@@H+](C)Cc1ccccc1 ZINC000379615098 1297534543 /nfs/dbraw/zinc/53/45/43/1297534543.db2.gz AEEIICZAIOTYTR-OXJNMPFZSA-N 2 1 330.447 3.359 20 0 EGADMP C[C@H](CC[NH2+]C[C@@H](O)c1ccccc1F)[N@H+](C)Cc1ccccc1 ZINC000379615102 1297536762 /nfs/dbraw/zinc/53/67/62/1297536762.db2.gz AEEIICZAIOTYTR-OXQOHEQNSA-N 2 1 330.447 3.359 20 0 EGADMP C[C@H](CC[NH2+]C[C@@H](O)c1ccccc1F)[N@@H+](C)Cc1ccccc1 ZINC000379615102 1297536769 /nfs/dbraw/zinc/53/67/69/1297536769.db2.gz AEEIICZAIOTYTR-OXQOHEQNSA-N 2 1 330.447 3.359 20 0 EGADMP CO[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C12CCC2 ZINC000453071488 1297889931 /nfs/dbraw/zinc/88/99/31/1297889931.db2.gz ONVFGSOKGFTNNI-ROUUACIJSA-N 2 1 329.419 3.367 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3C)cc1)C(C)C ZINC000874840608 1298120638 /nfs/dbraw/zinc/12/06/38/1298120638.db2.gz PQCGRKAOJKYRRC-UXHICEINSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1)C(C)C ZINC000874840608 1298120644 /nfs/dbraw/zinc/12/06/44/1298120644.db2.gz PQCGRKAOJKYRRC-UXHICEINSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1)C(C)C ZINC000874840608 1298120648 /nfs/dbraw/zinc/12/06/48/1298120648.db2.gz PQCGRKAOJKYRRC-UXHICEINSA-N 2 1 343.515 3.226 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000746872133 1298678368 /nfs/dbraw/zinc/67/83/68/1298678368.db2.gz TXHVGDOPWFSQGE-UHFFFAOYSA-N 2 1 337.552 3.412 20 0 EGADMP c1cc(N2CCCC2)nc(NC2CC[NH+](C3CCCCC3)CC2)[nH+]1 ZINC000747226996 1298746211 /nfs/dbraw/zinc/74/62/11/1298746211.db2.gz TWWVIQVGIFCJCV-UHFFFAOYSA-N 2 1 329.492 3.286 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000876943533 1299079490 /nfs/dbraw/zinc/07/94/90/1299079490.db2.gz QXJAESOVBYOODE-INIZCTEOSA-N 2 1 333.476 3.465 20 0 EGADMP C[C@H](CCOCc1ccccc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000877017578 1299114262 /nfs/dbraw/zinc/11/42/62/1299114262.db2.gz HSNBIOYWGNUROP-LJQANCHMSA-N 2 1 346.515 3.216 20 0 EGADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000877136978 1299175494 /nfs/dbraw/zinc/17/54/94/1299175494.db2.gz QDSWYBFNPYAORP-SESVDKBCSA-N 2 1 349.478 3.352 20 0 EGADMP O=C1[C@@H]2CCCCC[C@@H]2N1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000749939959 1299303748 /nfs/dbraw/zinc/30/37/48/1299303748.db2.gz WSXQOIIYNPXHDJ-UXHICEINSA-N 2 1 347.547 3.323 20 0 EGADMP ClC1(Cl)C[C@@H]1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000877476864 1299328098 /nfs/dbraw/zinc/32/80/98/1299328098.db2.gz PPOYGYVDFFIABL-CVEARBPZSA-N 2 1 343.298 3.061 20 0 EGADMP ClC1(Cl)C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000877476864 1299328111 /nfs/dbraw/zinc/32/81/11/1299328111.db2.gz PPOYGYVDFFIABL-CVEARBPZSA-N 2 1 343.298 3.061 20 0 EGADMP CCCn1cc(C[NH+]2CCC(CC[N@H+](CC)CC(C)C)CC2)nn1 ZINC000877529096 1299372966 /nfs/dbraw/zinc/37/29/66/1299372966.db2.gz SOHQVZMHAJWQNO-UHFFFAOYSA-N 2 1 335.540 3.268 20 0 EGADMP CCCn1cc(C[NH+]2CCC(CC[N@@H+](CC)CC(C)C)CC2)nn1 ZINC000877529096 1299372977 /nfs/dbraw/zinc/37/29/77/1299372977.db2.gz SOHQVZMHAJWQNO-UHFFFAOYSA-N 2 1 335.540 3.268 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCSC(C)(C)C)CC1 ZINC000878020764 1299709965 /nfs/dbraw/zinc/70/99/65/1299709965.db2.gz QAXRIHNBHRQRBM-HDICACEKSA-N 2 1 341.609 3.399 20 0 EGADMP CC[N@@H+](C)C[C@H]1CCN(CCc2ccccc2Br)C1 ZINC000878166701 1299789924 /nfs/dbraw/zinc/78/99/24/1299789924.db2.gz CLDXMUQYSKMJPE-CQSZACIVSA-N 2 1 325.294 3.265 20 0 EGADMP FC(F)(F)OCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000878527596 1300053373 /nfs/dbraw/zinc/05/33/73/1300053373.db2.gz DJJDPQPSFQMFSB-UHFFFAOYSA-N 2 1 331.382 3.325 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2CC(C)(C)OC2=O)CC1 ZINC000755753323 1300390719 /nfs/dbraw/zinc/39/07/19/1300390719.db2.gz FCQIGVYCYPVNIG-INIZCTEOSA-N 2 1 337.508 3.151 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2CC(C)(C)OC2=O)CC1 ZINC000755753323 1300390732 /nfs/dbraw/zinc/39/07/32/1300390732.db2.gz FCQIGVYCYPVNIG-INIZCTEOSA-N 2 1 337.508 3.151 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(F)c1 ZINC000879248106 1300452652 /nfs/dbraw/zinc/45/26/52/1300452652.db2.gz IQXFYNLUKJSEGQ-INIZCTEOSA-N 2 1 347.478 3.269 20 0 EGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759860244 1301179896 /nfs/dbraw/zinc/17/98/96/1301179896.db2.gz ZJUXWBRHMMZOBH-YOEHRIQHSA-N 2 1 328.859 3.319 20 0 EGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759860244 1301179903 /nfs/dbraw/zinc/17/99/03/1301179903.db2.gz ZJUXWBRHMMZOBH-YOEHRIQHSA-N 2 1 328.859 3.319 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759860244 1301179907 /nfs/dbraw/zinc/17/99/07/1301179907.db2.gz ZJUXWBRHMMZOBH-YOEHRIQHSA-N 2 1 328.859 3.319 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759860244 1301179913 /nfs/dbraw/zinc/17/99/13/1301179913.db2.gz ZJUXWBRHMMZOBH-YOEHRIQHSA-N 2 1 328.859 3.319 20 0 EGADMP CN(C[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000760837640 1301348208 /nfs/dbraw/zinc/34/82/08/1301348208.db2.gz ZUUFZNWHNNEZMB-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP CN(C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000760837640 1301348219 /nfs/dbraw/zinc/34/82/19/1301348219.db2.gz ZUUFZNWHNNEZMB-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP CN(C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000760837640 1301348231 /nfs/dbraw/zinc/34/82/31/1301348231.db2.gz ZUUFZNWHNNEZMB-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)C1 ZINC000765472949 1302270317 /nfs/dbraw/zinc/27/03/17/1302270317.db2.gz UMLFGWMEVFOFOH-GOSISDBHSA-N 2 1 344.547 3.043 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000767354243 1302648081 /nfs/dbraw/zinc/64/80/81/1302648081.db2.gz HRNIOFQYTPYZKL-UHFFFAOYSA-N 2 1 334.851 3.196 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000767354243 1302648092 /nfs/dbraw/zinc/64/80/92/1302648092.db2.gz HRNIOFQYTPYZKL-UHFFFAOYSA-N 2 1 334.851 3.196 20 0 EGADMP CC[N@@H+](CCC[NH2+][C@@H]1CCOC2(CCOCC2)C1)C1CCCCC1 ZINC000886154052 1303376799 /nfs/dbraw/zinc/37/67/99/1303376799.db2.gz XZRHIVCQGNOJPJ-GOSISDBHSA-N 2 1 338.536 3.349 20 0 EGADMP C[NH+](C[C@@H]1CCCOC1)[C@H]1CC[C@H]([N@@H+](C)C[C@@H]2CCCOC2)CC1 ZINC000886392091 1303454307 /nfs/dbraw/zinc/45/43/07/1303454307.db2.gz UJXZYFUKEQUDJO-MUGJNUQGSA-N 2 1 338.536 3.014 20 0 EGADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)[C@@H]1CC[C@@H]([NH+](C)C[C@@H]2CCO[C@H]2C)CC1 ZINC000886386909 1303454506 /nfs/dbraw/zinc/45/45/06/1303454506.db2.gz LIVBTLUGFWTKPL-OROIIQQLSA-N 2 1 338.536 3.011 20 0 EGADMP C[C@@H]1OCC[C@@H]1C[NH+](C)[C@@H]1CC[C@@H]([N@H+](C)C[C@@H]2CCO[C@H]2C)CC1 ZINC000886386909 1303454508 /nfs/dbraw/zinc/45/45/08/1303454508.db2.gz LIVBTLUGFWTKPL-OROIIQQLSA-N 2 1 338.536 3.011 20 0 EGADMP C[C@@H]1OCC[C@@H]1C[NH+](C)[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H]2CCO[C@H]2C)CC1 ZINC000886386909 1303454511 /nfs/dbraw/zinc/45/45/11/1303454511.db2.gz LIVBTLUGFWTKPL-OROIIQQLSA-N 2 1 338.536 3.011 20 0 EGADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)[nH+]c1C ZINC000886662436 1303543712 /nfs/dbraw/zinc/54/37/12/1303543712.db2.gz DMNNLATVBQKAHG-IBGZPJMESA-N 2 1 327.472 3.200 20 0 EGADMP Cc1[nH]c(C2CC[NH+](CCc3nc4ccccc4n3C)CC2)[nH+]c1C ZINC000886664307 1303544953 /nfs/dbraw/zinc/54/49/53/1303544953.db2.gz IMOKQNPPUSLINK-UHFFFAOYSA-N 2 1 337.471 3.335 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H](O)c1c(F)cccc1Cl ZINC000775411686 1303960759 /nfs/dbraw/zinc/96/07/59/1303960759.db2.gz HBYXSELEDXAUQB-KZULUSFZSA-N 2 1 340.870 3.365 20 0 EGADMP C[C@@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)CC[N@H+]1C ZINC000777299073 1304280636 /nfs/dbraw/zinc/28/06/36/1304280636.db2.gz AFPQPTBHIUCEPY-SJLPKXTDSA-N 2 1 330.520 3.112 20 0 EGADMP CC[NH+]1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c(C)c2)CC1 ZINC000892255387 1305295870 /nfs/dbraw/zinc/29/58/70/1305295870.db2.gz YYOIWEJZPRLMCG-YQQQUEKLSA-N 2 1 342.531 3.174 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2NCC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000892335567 1305322345 /nfs/dbraw/zinc/32/23/45/1305322345.db2.gz UTTKGUADVQBRRI-IAGOWNOFSA-N 2 1 331.504 3.050 20 0 EGADMP Cn1ncc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1C1CC1 ZINC000892737298 1305529024 /nfs/dbraw/zinc/52/90/24/1305529024.db2.gz ASQAVZLEDPOZEE-HNNXBMFYSA-N 2 1 344.528 3.361 20 0 EGADMP Cn1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1C1CC1 ZINC000892737298 1305529029 /nfs/dbraw/zinc/52/90/29/1305529029.db2.gz ASQAVZLEDPOZEE-HNNXBMFYSA-N 2 1 344.528 3.361 20 0 EGADMP Cn1ncc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)c1C1CC1 ZINC000892773815 1305549170 /nfs/dbraw/zinc/54/91/70/1305549170.db2.gz CZRRAYODFWGZAD-UHFFFAOYSA-N 2 1 330.520 3.432 20 0 EGADMP Cc1cc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n(-c2ccccc2)n1 ZINC000893204734 1305759728 /nfs/dbraw/zinc/75/97/28/1305759728.db2.gz DGTTWKRIQFWGST-SHFXZJCHSA-N 2 1 338.499 3.327 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cn(C)nc1C1CC1 ZINC000893327768 1305834250 /nfs/dbraw/zinc/83/42/50/1305834250.db2.gz OWKVVAWMCIPWFS-UHFFFAOYSA-N 2 1 326.488 3.428 20 0 EGADMP Cc1nc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)sc1C ZINC000893488347 1305920889 /nfs/dbraw/zinc/92/08/89/1305920889.db2.gz SUEQCNBAZGDDBO-GOSISDBHSA-N 2 1 345.512 3.006 20 0 EGADMP Cc1nc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)sc1C ZINC000893488347 1305920898 /nfs/dbraw/zinc/92/08/98/1305920898.db2.gz SUEQCNBAZGDDBO-GOSISDBHSA-N 2 1 345.512 3.006 20 0 EGADMP CCCC1CCC([N@@H+](C)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790387362 1306313725 /nfs/dbraw/zinc/31/37/25/1306313725.db2.gz NGADILPVPHBGSH-OUNSHVDWSA-N 2 1 349.519 3.151 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000810245086 1317985369 /nfs/dbraw/zinc/98/53/69/1317985369.db2.gz QFCFXJXXQSPRLC-ZNMIVQPWSA-N 2 1 334.451 3.062 20 0 EGADMP CC(C)(C)OC(=O)N1CC=C(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000793330452 1309348958 /nfs/dbraw/zinc/34/89/58/1309348958.db2.gz IZPPVQMYOSGHNC-MSOLQXFVSA-N 2 1 349.519 3.160 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(-n2cncn2)c(F)c1 ZINC000895685080 1309464688 /nfs/dbraw/zinc/46/46/88/1309464688.db2.gz JAESFJYVFBIPON-UHFFFAOYSA-N 2 1 345.466 3.104 20 0 EGADMP COc1cccc2c1ncc(C)c2NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000896521814 1309900490 /nfs/dbraw/zinc/90/04/90/1309900490.db2.gz FVJUCAXOBYBRPL-INIZCTEOSA-N 2 1 341.455 3.217 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000796354862 1309975547 /nfs/dbraw/zinc/97/55/47/1309975547.db2.gz BPOYWRKVMDSUQZ-OAQYLSRUSA-N 2 1 335.451 3.427 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000796354862 1309975551 /nfs/dbraw/zinc/97/55/51/1309975551.db2.gz BPOYWRKVMDSUQZ-OAQYLSRUSA-N 2 1 335.451 3.427 20 0 EGADMP CCC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H](O)c1ccccc1 ZINC000796363418 1309979183 /nfs/dbraw/zinc/97/91/83/1309979183.db2.gz OKEZDIDULQEUFH-WMZOPIPTSA-N 2 1 333.501 3.197 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc(Cl)n1 ZINC000797594445 1310216839 /nfs/dbraw/zinc/21/68/39/1310216839.db2.gz PDUTWCLFHUIEQF-UHFFFAOYSA-N 2 1 345.874 3.165 20 0 EGADMP C[C@]1(C[NH2+]Cc2cccc3nccn32)CC[N@@H+](Cc2ccccc2)C1 ZINC000798497774 1310373237 /nfs/dbraw/zinc/37/32/37/1310373237.db2.gz ADDDRTIUPUNTDX-OAQYLSRUSA-N 2 1 334.467 3.336 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1C ZINC000799178772 1310499931 /nfs/dbraw/zinc/49/99/31/1310499931.db2.gz JMFFWGQUGIDTGV-SFHVURJKSA-N 2 1 343.515 3.438 20 0 EGADMP COc1ccc(COCC[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000799178781 1310501016 /nfs/dbraw/zinc/50/10/16/1310501016.db2.gz KJQVGHUOJBWYDE-UHFFFAOYSA-N 2 1 332.488 3.020 20 0 EGADMP C[C@]1(C[NH2+][C@H]2CCC23CCOCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000800490743 1310768546 /nfs/dbraw/zinc/76/85/46/1310768546.db2.gz JPCUWFYQGRZKEJ-VQTJNVASSA-N 2 1 328.500 3.447 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000839181193 1320887720 /nfs/dbraw/zinc/88/77/20/1320887720.db2.gz HLGRXAVKKFBYCF-GFCCVEGCSA-N 2 1 341.286 3.463 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857262059 1328525608 /nfs/dbraw/zinc/52/56/08/1328525608.db2.gz AQPRYIYQANBGTL-XLIONFOSSA-N 2 1 345.531 3.346 20 0 EGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857262059 1328525609 /nfs/dbraw/zinc/52/56/09/1328525609.db2.gz AQPRYIYQANBGTL-XLIONFOSSA-N 2 1 345.531 3.346 20 0 EGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857262059 1328525610 /nfs/dbraw/zinc/52/56/10/1328525610.db2.gz AQPRYIYQANBGTL-XLIONFOSSA-N 2 1 345.531 3.346 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001019468320 1317262583 /nfs/dbraw/zinc/26/25/83/1317262583.db2.gz PNXVGXCUYMDOCC-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000805764080 1317421054 /nfs/dbraw/zinc/42/10/54/1317421054.db2.gz VJZSGHGVZFMYAF-IAGOWNOFSA-N 2 1 339.524 3.240 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000805764080 1317421058 /nfs/dbraw/zinc/42/10/58/1317421058.db2.gz VJZSGHGVZFMYAF-IAGOWNOFSA-N 2 1 339.524 3.240 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000805764080 1317421061 /nfs/dbraw/zinc/42/10/61/1317421061.db2.gz VJZSGHGVZFMYAF-IAGOWNOFSA-N 2 1 339.524 3.240 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC3(CC2)CC[NH+](C(C)C)CC3)C1 ZINC000957592294 1317482912 /nfs/dbraw/zinc/48/29/12/1317482912.db2.gz WEPZFHWGAHJMPO-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CC1([NH3+])CC1 ZINC000902413843 1317575370 /nfs/dbraw/zinc/57/53/70/1317575370.db2.gz ORFLESLNQGJPJJ-LBPRGKRZSA-N 2 1 349.272 3.451 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001020239280 1317605455 /nfs/dbraw/zinc/60/54/55/1317605455.db2.gz VKZJECGBVZOKPD-FRYIKTPZSA-N 2 1 343.515 3.247 20 0 EGADMP COC(=O)c1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(C)c1 ZINC000902791343 1317616444 /nfs/dbraw/zinc/61/64/44/1317616444.db2.gz UQRPVXDYGKDTQP-DZGCQCFKSA-N 2 1 329.444 3.273 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](OCC)C2)[C@H](C)C1 ZINC000902806754 1317618252 /nfs/dbraw/zinc/61/82/52/1317618252.db2.gz NTTCPVRFCABIDW-MKXGPGLRSA-N 2 1 326.525 3.061 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CN2C(=O)CCC2(C)C)CC1 ZINC000808153949 1317632537 /nfs/dbraw/zinc/63/25/37/1317632537.db2.gz NHCXYDFRUOIWQS-UHFFFAOYSA-N 2 1 343.515 3.189 20 0 EGADMP c1nn(Cc2ccccc2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903066383 1317646782 /nfs/dbraw/zinc/64/67/82/1317646782.db2.gz LVXJWWCRSIRSLI-VCSGRIEYSA-N 2 1 336.483 3.179 20 0 EGADMP c1nn(Cc2ccccc2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903066383 1317646789 /nfs/dbraw/zinc/64/67/89/1317646789.db2.gz LVXJWWCRSIRSLI-VCSGRIEYSA-N 2 1 336.483 3.179 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903072536 1317647368 /nfs/dbraw/zinc/64/73/68/1317647368.db2.gz KHSAADXHVHYACD-KWJOIHEDSA-N 3 1 333.564 3.492 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903072544 1317648436 /nfs/dbraw/zinc/64/84/36/1317648436.db2.gz KHSAADXHVHYACD-SVDIDWCTSA-N 3 1 333.564 3.492 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903072544 1317648445 /nfs/dbraw/zinc/64/84/45/1317648445.db2.gz KHSAADXHVHYACD-SVDIDWCTSA-N 3 1 333.564 3.492 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903072544 1317648453 /nfs/dbraw/zinc/64/84/53/1317648453.db2.gz KHSAADXHVHYACD-SVDIDWCTSA-N 3 1 333.564 3.492 20 0 EGADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1 ZINC000903119995 1317657589 /nfs/dbraw/zinc/65/75/89/1317657589.db2.gz UYHVOCHQXLNWAU-SHQCPXRQSA-N 2 1 346.515 3.216 20 0 EGADMP CC[C@H]([NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O)c1cccc(F)c1 ZINC000903119397 1317657659 /nfs/dbraw/zinc/65/76/59/1317657659.db2.gz ZULWCEOWFJWHBZ-UTBUEMAESA-N 2 1 334.479 3.346 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000903129558 1317660123 /nfs/dbraw/zinc/66/01/23/1317660123.db2.gz YQWZIFJUFIYSMY-SOAISFHBSA-N 2 1 344.499 3.361 20 0 EGADMP C[C@H](COCC1CCCCC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000903355060 1317690437 /nfs/dbraw/zinc/69/04/37/1317690437.db2.gz QYVKIAMSHCCLMU-XLIONFOSSA-N 2 1 338.536 3.205 20 0 EGADMP Brc1cncc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000903565689 1317707945 /nfs/dbraw/zinc/70/79/45/1317707945.db2.gz BOOZISWBSIOLMC-XJKSGUPXSA-N 2 1 338.293 3.371 20 0 EGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000808691701 1317716694 /nfs/dbraw/zinc/71/66/94/1317716694.db2.gz MXRJZBKJSVTQSQ-GUXCAODWSA-N 2 1 339.483 3.307 20 0 EGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000808691701 1317716696 /nfs/dbraw/zinc/71/66/96/1317716696.db2.gz MXRJZBKJSVTQSQ-GUXCAODWSA-N 2 1 339.483 3.307 20 0 EGADMP c1ccc2c(c1)CC[C@@H]2[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903722750 1317724443 /nfs/dbraw/zinc/72/44/43/1317724443.db2.gz OKWIKWXFHQRYPU-QUCCMNQESA-N 2 1 326.484 3.297 20 0 EGADMP C[C@]1(c2ccccc2)CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903728380 1317726052 /nfs/dbraw/zinc/72/60/52/1317726052.db2.gz ABVOLZLBEXJGFB-UXHICEINSA-N 2 1 328.500 3.199 20 0 EGADMP Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903725291 1317726255 /nfs/dbraw/zinc/72/62/55/1317726255.db2.gz ASIFAOTYLJAFNR-HBMCJLEFSA-N 2 1 328.500 3.018 20 0 EGADMP CCOCCOCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000929842301 1328718207 /nfs/dbraw/zinc/71/82/07/1328718207.db2.gz CECCLHWXEUISAT-SFTDATJTSA-N 2 1 346.515 3.026 20 0 EGADMP CCOCCOCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000929842301 1328718208 /nfs/dbraw/zinc/71/82/08/1328718208.db2.gz CECCLHWXEUISAT-SFTDATJTSA-N 2 1 346.515 3.026 20 0 EGADMP CCOCCOCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000929842301 1328718221 /nfs/dbraw/zinc/71/82/21/1328718221.db2.gz CECCLHWXEUISAT-SFTDATJTSA-N 2 1 346.515 3.026 20 0 EGADMP CCOCCOCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000929842301 1328718226 /nfs/dbraw/zinc/71/82/26/1328718226.db2.gz CECCLHWXEUISAT-SFTDATJTSA-N 2 1 346.515 3.026 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1c1ccccc1 ZINC000903782002 1317732982 /nfs/dbraw/zinc/73/29/82/1317732982.db2.gz CUFRRQAMBLYQAI-RLLQIKCJSA-N 2 1 328.500 3.271 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001020508896 1317734116 /nfs/dbraw/zinc/73/41/16/1317734116.db2.gz GABSLSINWMMDGT-VMXHOPILSA-N 2 1 343.515 3.023 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903899426 1317745296 /nfs/dbraw/zinc/74/52/96/1317745296.db2.gz UREFKFUNTBFFKG-SWLSCSKDSA-N 2 1 331.838 3.001 20 0 EGADMP [NH3+][C@H](C[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1)CC(F)F ZINC000903929679 1317750600 /nfs/dbraw/zinc/75/06/00/1317750600.db2.gz JGBRDCTVAMWNDP-RDJZCZTQSA-N 2 1 326.431 3.243 20 0 EGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000904404696 1317843731 /nfs/dbraw/zinc/84/37/31/1317843731.db2.gz CXLXDGLOWOLSIZ-PBHICJAKSA-N 2 1 338.879 3.069 20 0 EGADMP COc1cc(OC)cc(Oc2ccc(C[NH2+]CC3([NH3+])CC3)cc2)c1 ZINC000904449497 1317848979 /nfs/dbraw/zinc/84/89/79/1317848979.db2.gz JFMOSWALPKXURJ-UHFFFAOYSA-N 2 1 328.412 3.077 20 0 EGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc2c(c1)CCC(=O)N2C ZINC000809750300 1317890636 /nfs/dbraw/zinc/89/06/36/1317890636.db2.gz XNVHFDAAWFEGCA-UHFFFAOYSA-N 2 1 331.504 3.149 20 0 EGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc2c(c1)CCC(=O)N2C ZINC000809750300 1317890641 /nfs/dbraw/zinc/89/06/41/1317890641.db2.gz XNVHFDAAWFEGCA-UHFFFAOYSA-N 2 1 331.504 3.149 20 0 EGADMP Cc1cccc([C@H](O)C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000905095266 1317923343 /nfs/dbraw/zinc/92/33/43/1317923343.db2.gz DCQKWNSPQGCOGA-IFMALSPDSA-N 2 1 338.495 3.183 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000810245086 1317985357 /nfs/dbraw/zinc/98/53/57/1317985357.db2.gz QFCFXJXXQSPRLC-ZNMIVQPWSA-N 2 1 334.451 3.062 20 0 EGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000906517727 1318111725 /nfs/dbraw/zinc/11/17/25/1318111725.db2.gz NZWZKKHMGUKVNH-JCNLHEQBSA-N 2 1 329.831 3.172 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN([C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906589950 1318120984 /nfs/dbraw/zinc/12/09/84/1318120984.db2.gz FPFXDKIKKAAYPB-OVQGTLEDSA-N 2 1 345.506 3.172 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC(CCCn3ccnc3)CC2)C1 ZINC000907314881 1318210193 /nfs/dbraw/zinc/21/01/93/1318210193.db2.gz UVBCFVCUOSYCKT-IBGZPJMESA-N 2 1 346.519 3.024 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC(CCCn3ccnc3)CC2)C1 ZINC000907314883 1318210626 /nfs/dbraw/zinc/21/06/26/1318210626.db2.gz UVBCFVCUOSYCKT-LJQANCHMSA-N 2 1 346.519 3.024 20 0 EGADMP C[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC2CCC2)CC1 ZINC001021368829 1318214358 /nfs/dbraw/zinc/21/43/58/1318214358.db2.gz XGVGXKQJTDSKCV-IHWFROFDSA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)o1 ZINC001021470477 1318270849 /nfs/dbraw/zinc/27/08/49/1318270849.db2.gz WCARSTRMJKNYCC-ALOPSCKCSA-N 2 1 347.503 3.255 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000960006731 1318309734 /nfs/dbraw/zinc/30/97/34/1318309734.db2.gz JLZDHJIGPDDHKC-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC000960032747 1318320422 /nfs/dbraw/zinc/32/04/22/1318320422.db2.gz GCGAIVKWBNVJIQ-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700563 1318573193 /nfs/dbraw/zinc/57/31/93/1318573193.db2.gz RGDDEKDFXVTDPE-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC000960678933 1318789683 /nfs/dbraw/zinc/78/96/83/1318789683.db2.gz BSHCVYXZTWGKOH-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC000960678933 1318789691 /nfs/dbraw/zinc/78/96/91/1318789691.db2.gz BSHCVYXZTWGKOH-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC000960678933 1318789698 /nfs/dbraw/zinc/78/96/98/1318789698.db2.gz BSHCVYXZTWGKOH-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001022195581 1318837921 /nfs/dbraw/zinc/83/79/21/1318837921.db2.gz DKCBDAZUMGJMEZ-AQNXPRMDSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001022202277 1318840994 /nfs/dbraw/zinc/84/09/94/1318840994.db2.gz VKZJECGBVZOKPD-LMCOJAPRSA-N 2 1 343.515 3.247 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001022351043 1318902882 /nfs/dbraw/zinc/90/28/82/1318902882.db2.gz SKBRZSISVGHQNK-FFGOWVMKSA-N 2 1 343.515 3.105 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3ccccc3)C2)C1 ZINC001022585235 1319004658 /nfs/dbraw/zinc/00/46/58/1319004658.db2.gz LTMDEBDBYJMMSJ-FRYIKTPZSA-N 2 1 343.515 3.106 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815577948 1319019594 /nfs/dbraw/zinc/01/95/94/1319019594.db2.gz DIAMHIPRITVTTB-JKSUJKDBSA-N 2 1 331.460 3.026 20 0 EGADMP Cc1cc(F)ccc1[C@@H](C)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000815582226 1319020740 /nfs/dbraw/zinc/02/07/40/1319020740.db2.gz ASNYRYHKSKENCJ-DYESRHJHSA-N 2 1 342.458 3.422 20 0 EGADMP Cc1cc(F)ccc1[C@@H](C)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000815582226 1319020746 /nfs/dbraw/zinc/02/07/46/1319020746.db2.gz ASNYRYHKSKENCJ-DYESRHJHSA-N 2 1 342.458 3.422 20 0 EGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000815582226 1319020755 /nfs/dbraw/zinc/02/07/55/1319020755.db2.gz ASNYRYHKSKENCJ-DYESRHJHSA-N 2 1 342.458 3.422 20 0 EGADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000815582226 1319020762 /nfs/dbraw/zinc/02/07/62/1319020762.db2.gz ASNYRYHKSKENCJ-DYESRHJHSA-N 2 1 342.458 3.422 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2C[N@@H+](C)C(C)C)o1 ZINC000961047100 1319170729 /nfs/dbraw/zinc/17/07/29/1319170729.db2.gz KQMLZYBORHMODF-MRXNPFEDSA-N 2 1 335.492 3.066 20 0 EGADMP CCCCC[C@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000816839739 1319231738 /nfs/dbraw/zinc/23/17/38/1319231738.db2.gz OORCWHAGHQCOCK-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001023128946 1319276093 /nfs/dbraw/zinc/27/60/93/1319276093.db2.gz ZWXXLVWYQHCWKG-LMCOJAPRSA-N 2 1 343.515 3.167 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188696 1319301178 /nfs/dbraw/zinc/30/11/78/1319301178.db2.gz XBWPBMINYUWRMA-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961270627 1319420560 /nfs/dbraw/zinc/42/05/60/1319420560.db2.gz LOGWRIBXNDEPIG-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]([NH2+]CCc1ccc(Br)cc1F)c1c[nH+]ccc1N ZINC000817902247 1319456200 /nfs/dbraw/zinc/45/62/00/1319456200.db2.gz LRRLFIMCXVJNNC-SNVBAGLBSA-N 2 1 338.224 3.289 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000817918250 1319459402 /nfs/dbraw/zinc/45/94/02/1319459402.db2.gz XKWZHXOHBDZTNX-JBBXEZCESA-N 2 1 336.838 3.061 20 0 EGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817938925 1319466985 /nfs/dbraw/zinc/46/69/85/1319466985.db2.gz VSMGJWZHNLFVAR-OAHLLOKOSA-N 2 1 331.460 3.346 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CC3CCCCCC3)C2)CC[N@H+]1C ZINC001023377538 1319485961 /nfs/dbraw/zinc/48/59/61/1319485961.db2.gz PKBXXNHUQIQWSZ-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001023377538 1319485967 /nfs/dbraw/zinc/48/59/67/1319485967.db2.gz PKBXXNHUQIQWSZ-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001023377538 1319485971 /nfs/dbraw/zinc/48/59/71/1319485971.db2.gz PKBXXNHUQIQWSZ-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CCC3CCCCC3)C2)CC[N@H+]1C ZINC001023377318 1319486100 /nfs/dbraw/zinc/48/61/00/1319486100.db2.gz JRTPIGGXWYUCBC-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001023377318 1319486103 /nfs/dbraw/zinc/48/61/03/1319486103.db2.gz JRTPIGGXWYUCBC-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001023377318 1319486107 /nfs/dbraw/zinc/48/61/07/1319486107.db2.gz JRTPIGGXWYUCBC-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023402918 1319508862 /nfs/dbraw/zinc/50/88/62/1319508862.db2.gz WPVPUZKZQQPBPJ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001023402918 1319508872 /nfs/dbraw/zinc/50/88/72/1319508872.db2.gz WPVPUZKZQQPBPJ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001023402918 1319508878 /nfs/dbraw/zinc/50/88/78/1319508878.db2.gz WPVPUZKZQQPBPJ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414512 1319517908 /nfs/dbraw/zinc/51/79/08/1319517908.db2.gz VASGPSZZZLJEFD-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414512 1319517917 /nfs/dbraw/zinc/51/79/17/1319517917.db2.gz VASGPSZZZLJEFD-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414512 1319517925 /nfs/dbraw/zinc/51/79/25/1319517925.db2.gz VASGPSZZZLJEFD-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414511 1319518836 /nfs/dbraw/zinc/51/88/36/1319518836.db2.gz VASGPSZZZLJEFD-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414511 1319518843 /nfs/dbraw/zinc/51/88/43/1319518843.db2.gz VASGPSZZZLJEFD-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414511 1319518850 /nfs/dbraw/zinc/51/88/50/1319518850.db2.gz VASGPSZZZLJEFD-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC000961397722 1319553652 /nfs/dbraw/zinc/55/36/52/1319553652.db2.gz VRGJGIZEMAFXNL-YSIASYRMSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC000961397722 1319553654 /nfs/dbraw/zinc/55/36/54/1319553654.db2.gz VRGJGIZEMAFXNL-YSIASYRMSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000961397722 1319553659 /nfs/dbraw/zinc/55/36/59/1319553659.db2.gz VRGJGIZEMAFXNL-YSIASYRMSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961434746 1319588182 /nfs/dbraw/zinc/58/81/82/1319588182.db2.gz HHDUWFGXFNXVNB-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000961434746 1319588189 /nfs/dbraw/zinc/58/81/89/1319588189.db2.gz HHDUWFGXFNXVNB-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000818979891 1319601632 /nfs/dbraw/zinc/60/16/32/1319601632.db2.gz CWKFNAWCDKELBB-BBRMVZONSA-N 2 1 330.394 3.060 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632336 1319753275 /nfs/dbraw/zinc/75/32/75/1319753275.db2.gz JYCFDPULPVCSCR-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632336 1319753282 /nfs/dbraw/zinc/75/32/82/1319753282.db2.gz JYCFDPULPVCSCR-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632336 1319753292 /nfs/dbraw/zinc/75/32/92/1319753292.db2.gz JYCFDPULPVCSCR-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCC2)C1 ZINC001023696351 1319820889 /nfs/dbraw/zinc/82/08/89/1319820889.db2.gz LCUXLMPNOVSVJF-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001023696351 1319820896 /nfs/dbraw/zinc/82/08/96/1319820896.db2.gz LCUXLMPNOVSVJF-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001023696351 1319820905 /nfs/dbraw/zinc/82/09/05/1319820905.db2.gz LCUXLMPNOVSVJF-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC000962270098 1319893035 /nfs/dbraw/zinc/89/30/35/1319893035.db2.gz IJLFCUVYQMQOIV-HCXYKTFWSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC000962270098 1319893042 /nfs/dbraw/zinc/89/30/42/1319893042.db2.gz IJLFCUVYQMQOIV-HCXYKTFWSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC000962270098 1319893047 /nfs/dbraw/zinc/89/30/47/1319893047.db2.gz IJLFCUVYQMQOIV-HCXYKTFWSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761515 1319909249 /nfs/dbraw/zinc/90/92/49/1319909249.db2.gz BPPXTUGPTDCRHC-HKUYNNGSSA-N 2 1 345.531 3.236 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NC2CC(C[NH2+]CC3CCCCCC3)C2)C1 ZINC000962311282 1319911069 /nfs/dbraw/zinc/91/10/69/1319911069.db2.gz JKPFNJLLGZUKAX-UHFFFAOYSA-N 2 1 349.563 3.173 20 0 EGADMP O[C@@]1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCSC1 ZINC000820812559 1319958635 /nfs/dbraw/zinc/95/86/35/1319958635.db2.gz NLPSRDAUCNMHJC-RAFMOHDBSA-N 2 1 346.540 3.030 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000822490553 1320087725 /nfs/dbraw/zinc/08/77/25/1320087725.db2.gz WRWOVSKAYAWHRD-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000825762549 1320361115 /nfs/dbraw/zinc/36/11/15/1320361115.db2.gz NOHDTKXFCDNBBL-SFHVURJKSA-N 2 1 346.515 3.408 20 0 EGADMP CCOc1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)ccc1O ZINC000839095087 1320867891 /nfs/dbraw/zinc/86/78/91/1320867891.db2.gz DTMWHTPIYYOFKW-UHFFFAOYSA-N 2 1 328.456 3.485 20 0 EGADMP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OC(=O)CC ZINC000840945367 1321182473 /nfs/dbraw/zinc/18/24/73/1321182473.db2.gz LLUSJUNLECTNFC-RDJZCZTQSA-N 2 1 348.487 3.173 20 0 EGADMP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OC(=O)CC ZINC000840945367 1321182479 /nfs/dbraw/zinc/18/24/79/1321182479.db2.gz LLUSJUNLECTNFC-RDJZCZTQSA-N 2 1 348.487 3.173 20 0 EGADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC(=O)CC ZINC000840945367 1321182484 /nfs/dbraw/zinc/18/24/84/1321182484.db2.gz LLUSJUNLECTNFC-RDJZCZTQSA-N 2 1 348.487 3.173 20 0 EGADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OC(=O)CC ZINC000840945367 1321182488 /nfs/dbraw/zinc/18/24/88/1321182488.db2.gz LLUSJUNLECTNFC-RDJZCZTQSA-N 2 1 348.487 3.173 20 0 EGADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214780 1328947670 /nfs/dbraw/zinc/94/76/70/1328947670.db2.gz NQGOIGFBJZGGCL-QGZVFWFLSA-N 2 1 333.520 3.073 20 0 EGADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214780 1328947674 /nfs/dbraw/zinc/94/76/74/1328947674.db2.gz NQGOIGFBJZGGCL-QGZVFWFLSA-N 2 1 333.520 3.073 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)CCc2ccccc2)cc1 ZINC000859213141 1328946675 /nfs/dbraw/zinc/94/66/75/1328946675.db2.gz SEUKAVHJLJTNJM-NRFANRHFSA-N 2 1 326.484 3.174 20 0 EGADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213364 1328947284 /nfs/dbraw/zinc/94/72/84/1328947284.db2.gz HGWPZVPMSCREOJ-QGZVFWFLSA-N 2 1 345.531 3.360 20 0 EGADMP Cn1c2ccccc2nc1CC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213611 1328948321 /nfs/dbraw/zinc/94/83/21/1328948321.db2.gz ZNJAGYCCYGJSQI-UHFFFAOYSA-N 2 1 336.483 3.309 20 0 EGADMP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n(C)n1 ZINC000841888568 1321326234 /nfs/dbraw/zinc/32/62/34/1321326234.db2.gz GYNJRYVTRQEFCS-IHWFROFDSA-N 2 1 338.499 3.404 20 0 EGADMP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n(C)n1 ZINC000841888568 1321326238 /nfs/dbraw/zinc/32/62/38/1321326238.db2.gz GYNJRYVTRQEFCS-IHWFROFDSA-N 2 1 338.499 3.404 20 0 EGADMP [NH3+]CCCCCCC[NH+]1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000842473537 1321392927 /nfs/dbraw/zinc/39/29/27/1321392927.db2.gz YSPAYBOODIETEI-UHFFFAOYSA-N 2 1 349.500 3.161 20 0 EGADMP C[NH2+]C[C@@H](C)c1noc([C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000842581286 1321403581 /nfs/dbraw/zinc/40/35/81/1321403581.db2.gz CJZQHKQVQSZVRL-HZPDHXFCSA-N 2 1 342.487 3.408 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+](C)C3CC[NH2+]CC3)c2cc1C(C)C ZINC000843345889 1321502580 /nfs/dbraw/zinc/50/25/80/1321502580.db2.gz IPWITYCTDGZCOO-UHFFFAOYSA-N 2 1 328.456 3.409 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+](C)C3CC[NH2+]CC3)c2cc1C(C)C ZINC000843345889 1321502583 /nfs/dbraw/zinc/50/25/83/1321502583.db2.gz IPWITYCTDGZCOO-UHFFFAOYSA-N 2 1 328.456 3.409 20 0 EGADMP CCc1cc2oc(=O)cc(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)c2cc1Cl ZINC000843365435 1321506867 /nfs/dbraw/zinc/50/68/67/1321506867.db2.gz IEFKOUQUTIHNMP-AAEUAGOBSA-N 2 1 334.847 3.178 20 0 EGADMP CCc1cc2oc(=O)cc(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)c2cc1Cl ZINC000843365435 1321506869 /nfs/dbraw/zinc/50/68/69/1321506869.db2.gz IEFKOUQUTIHNMP-AAEUAGOBSA-N 2 1 334.847 3.178 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363824 1321506872 /nfs/dbraw/zinc/50/68/72/1321506872.db2.gz CISZRMQOVDCCEI-MRXNPFEDSA-N 2 1 337.467 3.242 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)c2cc1C(C)C ZINC000843364896 1321506915 /nfs/dbraw/zinc/50/69/15/1321506915.db2.gz UHKJVHNQLIADDE-HUUCEWRRSA-N 2 1 328.456 3.394 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000843368450 1321508157 /nfs/dbraw/zinc/50/81/57/1321508157.db2.gz SGHFLLKEUOJIJY-FPWFTKFVSA-N 2 1 337.467 3.226 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000843368450 1321508160 /nfs/dbraw/zinc/50/81/60/1321508160.db2.gz SGHFLLKEUOJIJY-FPWFTKFVSA-N 2 1 337.467 3.226 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@](C)(C[NH3+])C3)c2cc1C(C)C ZINC000843382399 1321509189 /nfs/dbraw/zinc/50/91/89/1321509189.db2.gz OSRBRQADEBUYGF-HXUWFJFHSA-N 2 1 328.456 3.396 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@](C)(C[NH3+])C3)c2cc1C(C)C ZINC000843382399 1321509191 /nfs/dbraw/zinc/50/91/91/1321509191.db2.gz OSRBRQADEBUYGF-HXUWFJFHSA-N 2 1 328.456 3.396 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c2cc1C ZINC000843387214 1321509422 /nfs/dbraw/zinc/50/94/22/1321509422.db2.gz FQHDRVCXGLNTLE-IRXDYDNUSA-N 2 1 340.467 3.231 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cccc(C[NH3+])c2)CC1 ZINC000844204652 1321578324 /nfs/dbraw/zinc/57/83/24/1321578324.db2.gz TXBKGFSEORFBJO-KRWDZBQOSA-N 2 1 343.515 3.262 20 0 EGADMP [NH3+]CCCCCC[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000846222210 1321777730 /nfs/dbraw/zinc/77/77/30/1321777730.db2.gz UNADPPFOCVRBBC-UHFFFAOYSA-N 2 1 331.291 3.030 20 0 EGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(N2CCCOC2=O)cc1 ZINC000846922384 1321824318 /nfs/dbraw/zinc/82/43/18/1321824318.db2.gz WJMOPPJAHDDEMF-HNNXBMFYSA-N 2 1 342.443 3.050 20 0 EGADMP CC[N@H+](CC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC000848524517 1321968460 /nfs/dbraw/zinc/96/84/60/1321968460.db2.gz HBMWTRSCAMRSJI-HOTGVXAUSA-N 2 1 327.513 3.142 20 0 EGADMP CC[N@@H+](CC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC000848524517 1321968462 /nfs/dbraw/zinc/96/84/62/1321968462.db2.gz HBMWTRSCAMRSJI-HOTGVXAUSA-N 2 1 327.513 3.142 20 0 EGADMP ClC1(Cl)C[C@@H]1CCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848555845 1321975146 /nfs/dbraw/zinc/97/51/46/1321975146.db2.gz GCHQBQSOOLZPME-ZFWWWQNUSA-N 2 1 335.319 3.193 20 0 EGADMP COC(=O)/C=C\c1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000848894591 1322034579 /nfs/dbraw/zinc/03/45/79/1322034579.db2.gz NMGXZFRIKMISEA-KCUINEJTSA-N 2 1 348.487 3.314 20 0 EGADMP COC(=O)/C=C\c1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000848910704 1322043438 /nfs/dbraw/zinc/04/34/38/1322043438.db2.gz NDAUJWYNTKTRFN-QXMHVHEDSA-N 2 1 342.439 3.159 20 0 EGADMP C[C@@H]1CCCN(C(=[NH2+])NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000849075787 1322068154 /nfs/dbraw/zinc/06/81/54/1322068154.db2.gz LJSVGVHIIMYNEG-XLIONFOSSA-N 2 1 328.504 3.155 20 0 EGADMP [NH2+]=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000849085537 1322072985 /nfs/dbraw/zinc/07/29/85/1322072985.db2.gz RUBAGKFXEJOTHV-IBGZPJMESA-N 2 1 328.504 3.299 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000849091167 1322075551 /nfs/dbraw/zinc/07/55/51/1322075551.db2.gz XJLDURXUBVBWGC-AEFFLSMTSA-N 2 1 344.503 3.279 20 0 EGADMP Cc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000849106134 1322080189 /nfs/dbraw/zinc/08/01/89/1322080189.db2.gz WJNKDVAKPXTKJA-IBGZPJMESA-N 2 1 328.504 3.406 20 0 EGADMP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000849115669 1322083872 /nfs/dbraw/zinc/08/38/72/1322083872.db2.gz CZZXAUIIFMNHTD-OAHLLOKOSA-N 2 1 348.491 3.152 20 0 EGADMP CS[C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000921730547 1322386565 /nfs/dbraw/zinc/38/65/65/1322386565.db2.gz XQLKTUXEVCUHBT-SJORKVTESA-N 2 1 326.550 3.285 20 0 EGADMP CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000922170638 1322470839 /nfs/dbraw/zinc/47/08/39/1322470839.db2.gz TWDRBIFOBRQAIX-HOTGVXAUSA-N 2 1 339.524 3.144 20 0 EGADMP CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000922170638 1322470840 /nfs/dbraw/zinc/47/08/40/1322470840.db2.gz TWDRBIFOBRQAIX-HOTGVXAUSA-N 2 1 339.524 3.144 20 0 EGADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000923326907 1322734694 /nfs/dbraw/zinc/73/46/94/1322734694.db2.gz OYUSNAWGIKQRDO-MSRNWOCLSA-N 2 1 328.504 3.045 20 0 EGADMP Cc1cccc(NC[C@H]2CC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)[nH+]1 ZINC000923326907 1322734699 /nfs/dbraw/zinc/73/46/99/1322734699.db2.gz OYUSNAWGIKQRDO-MSRNWOCLSA-N 3 1 328.504 3.045 20 0 EGADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)[nH+]1 ZINC000923326907 1322734704 /nfs/dbraw/zinc/73/47/04/1322734704.db2.gz OYUSNAWGIKQRDO-MSRNWOCLSA-N 3 1 328.504 3.045 20 0 EGADMP CN(Cc1ccccc1)[C@@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923325652 1322734894 /nfs/dbraw/zinc/73/48/94/1322734894.db2.gz FJHGAVJQHIUDBK-OTYNDTSQSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923486135 1322760512 /nfs/dbraw/zinc/76/05/12/1322760512.db2.gz NOIZKYGQLACJFK-GVDBMIGSSA-N 2 1 339.483 3.076 20 0 EGADMP Cc1cccc(C)c1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923508395 1322765714 /nfs/dbraw/zinc/76/57/14/1322765714.db2.gz LZGZKDZJDIVNQY-GOSISDBHSA-N 2 1 343.515 3.344 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1 ZINC001024018479 1323080871 /nfs/dbraw/zinc/08/08/71/1323080871.db2.gz ORHLITFKSCCZDU-ROUUACIJSA-N 2 1 343.515 3.060 20 0 EGADMP CON1CCC([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000924678564 1323108247 /nfs/dbraw/zinc/10/82/47/1323108247.db2.gz CGJGDMUTUISLGW-QGZVFWFLSA-N 2 1 331.504 3.176 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cnnn1C ZINC000924695811 1323117759 /nfs/dbraw/zinc/11/77/59/1323117759.db2.gz SYIHJKGSDLWGFR-ZACQAIPSSA-N 2 1 341.503 3.144 20 0 EGADMP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000924959673 1323229089 /nfs/dbraw/zinc/22/90/89/1323229089.db2.gz LBJBASPFTUWTQU-SYNHAJSKSA-N 2 1 349.494 3.101 20 0 EGADMP CCC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ncccc1Cl ZINC000924967470 1323231795 /nfs/dbraw/zinc/23/17/95/1323231795.db2.gz WSUKDLQELZQONG-QGZVFWFLSA-N 2 1 338.927 3.193 20 0 EGADMP O[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000852745425 1323234131 /nfs/dbraw/zinc/23/41/31/1323234131.db2.gz UYFNQLJINKWIJG-YADHBBJMSA-N 2 1 336.479 3.420 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC000853098441 1323281299 /nfs/dbraw/zinc/28/12/99/1323281299.db2.gz JNHXSTBLFISXRB-DYESRHJHSA-N 2 1 339.483 3.137 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001024365802 1323338816 /nfs/dbraw/zinc/33/88/16/1323338816.db2.gz HYXRFYMGIOZPEF-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCCC1 ZINC001024365802 1323338823 /nfs/dbraw/zinc/33/88/23/1323338823.db2.gz HYXRFYMGIOZPEF-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCCC1 ZINC001024365802 1323338829 /nfs/dbraw/zinc/33/88/29/1323338829.db2.gz HYXRFYMGIOZPEF-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024436878 1323395128 /nfs/dbraw/zinc/39/51/28/1323395128.db2.gz JIXNFMAETFKUSO-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001024436878 1323395134 /nfs/dbraw/zinc/39/51/34/1323395134.db2.gz JIXNFMAETFKUSO-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001024436878 1323395140 /nfs/dbraw/zinc/39/51/40/1323395140.db2.gz JIXNFMAETFKUSO-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001024436504 1323395497 /nfs/dbraw/zinc/39/54/97/1323395497.db2.gz FFIWNOVQFXZHHW-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001024436504 1323395502 /nfs/dbraw/zinc/39/55/02/1323395502.db2.gz FFIWNOVQFXZHHW-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001024436504 1323395510 /nfs/dbraw/zinc/39/55/10/1323395510.db2.gz FFIWNOVQFXZHHW-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCCC2CCCC2)CC[N@H+]1C ZINC001024447396 1323405216 /nfs/dbraw/zinc/40/52/16/1323405216.db2.gz VVDFFXYWQPFKNQ-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCCC2CCCC2)CC[NH+]1C ZINC001024447396 1323405220 /nfs/dbraw/zinc/40/52/20/1323405220.db2.gz VVDFFXYWQPFKNQ-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCCC2CCCC2)CC[NH+]1C ZINC001024447396 1323405223 /nfs/dbraw/zinc/40/52/23/1323405223.db2.gz VVDFFXYWQPFKNQ-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024468635 1323423503 /nfs/dbraw/zinc/42/35/03/1323423503.db2.gz LYQGYGPGNCIWJI-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001024468635 1323423504 /nfs/dbraw/zinc/42/35/04/1323423504.db2.gz LYQGYGPGNCIWJI-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001024468635 1323423506 /nfs/dbraw/zinc/42/35/06/1323423506.db2.gz LYQGYGPGNCIWJI-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001024513045 1323463289 /nfs/dbraw/zinc/46/32/89/1323463289.db2.gz MJVYCKJMJSHZSD-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCCC1 ZINC001024513045 1323463291 /nfs/dbraw/zinc/46/32/91/1323463291.db2.gz MJVYCKJMJSHZSD-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCCC1 ZINC001024513045 1323463298 /nfs/dbraw/zinc/46/32/98/1323463298.db2.gz MJVYCKJMJSHZSD-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1c(C(=O)NC[C@H]2CCCC[N@H+]2CCC2CC2)ccc2c[nH+]cn21 ZINC001024520174 1323469553 /nfs/dbraw/zinc/46/95/53/1323469553.db2.gz FEUMHOWQKDIOBC-QGZVFWFLSA-N 2 1 340.471 3.027 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CC1 ZINC001024692943 1323609886 /nfs/dbraw/zinc/60/98/86/1323609886.db2.gz UIVWDILONIBIRE-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CC1 ZINC001024692943 1323609894 /nfs/dbraw/zinc/60/98/94/1323609894.db2.gz UIVWDILONIBIRE-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CC1 ZINC001024692943 1323609903 /nfs/dbraw/zinc/60/99/03/1323609903.db2.gz UIVWDILONIBIRE-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC2CC2)o1 ZINC001024820408 1323726170 /nfs/dbraw/zinc/72/61/70/1323726170.db2.gz YWAZVLOPZASBJB-QGZVFWFLSA-N 2 1 347.503 3.116 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001024989199 1323814819 /nfs/dbraw/zinc/81/48/19/1323814819.db2.gz FHWMFWPFQYZOGH-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(Cc3csc(-c4ccc(F)cc4)n3)C[C@@H]2C1 ZINC000931431590 1329116151 /nfs/dbraw/zinc/11/61/51/1329116151.db2.gz BIBCVYTWGZZYQC-CABCVRRESA-N 2 1 331.460 3.333 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(-c4ccc(F)cc4)n3)C[C@@H]2C1 ZINC000931431590 1329116157 /nfs/dbraw/zinc/11/61/57/1329116157.db2.gz BIBCVYTWGZZYQC-CABCVRRESA-N 2 1 331.460 3.333 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3csc(-c4ccc(F)cc4)n3)C[C@@H]2C1 ZINC000931431590 1329116159 /nfs/dbraw/zinc/11/61/59/1329116159.db2.gz BIBCVYTWGZZYQC-CABCVRRESA-N 2 1 331.460 3.333 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3csc(-c4ccc(F)cc4)n3)C[C@@H]2C1 ZINC000931431590 1329116160 /nfs/dbraw/zinc/11/61/60/1329116160.db2.gz BIBCVYTWGZZYQC-CABCVRRESA-N 2 1 331.460 3.333 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C[C@@H]2C1 ZINC000931431590 1329116162 /nfs/dbraw/zinc/11/61/62/1329116162.db2.gz BIBCVYTWGZZYQC-CABCVRRESA-N 2 1 331.460 3.333 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3OCC(F)(F)F)C[C@@H]2C1 ZINC000931436931 1329117390 /nfs/dbraw/zinc/11/73/90/1329117390.db2.gz VKAZENJKTRUNAB-HIFRSBDPSA-N 2 1 328.378 3.011 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3OCC(F)(F)F)C[C@@H]2C1 ZINC000931436931 1329117395 /nfs/dbraw/zinc/11/73/95/1329117395.db2.gz VKAZENJKTRUNAB-HIFRSBDPSA-N 2 1 328.378 3.011 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025241574 1324035624 /nfs/dbraw/zinc/03/56/24/1324035624.db2.gz YRDJQYLHNFEPPL-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241574 1324035633 /nfs/dbraw/zinc/03/56/33/1324035633.db2.gz YRDJQYLHNFEPPL-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241574 1324035642 /nfs/dbraw/zinc/03/56/42/1324035642.db2.gz YRDJQYLHNFEPPL-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025243745 1324039883 /nfs/dbraw/zinc/03/98/83/1324039883.db2.gz QNXBGPFFKZPPRF-RBUKOAKNSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025273932 1324089985 /nfs/dbraw/zinc/08/99/85/1324089985.db2.gz IKTCLMARPBTUNV-QZTJIDSGSA-N 2 1 346.519 3.262 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025273932 1324089990 /nfs/dbraw/zinc/08/99/90/1324089990.db2.gz IKTCLMARPBTUNV-QZTJIDSGSA-N 2 1 346.519 3.262 20 0 EGADMP CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC001025274883 1324093789 /nfs/dbraw/zinc/09/37/89/1324093789.db2.gz PLRMMBBAATWWCP-QZTJIDSGSA-N 2 1 346.519 3.262 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC001025274883 1324093795 /nfs/dbraw/zinc/09/37/95/1324093795.db2.gz PLRMMBBAATWWCP-QZTJIDSGSA-N 2 1 346.519 3.262 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025493077 1324345012 /nfs/dbraw/zinc/34/50/12/1324345012.db2.gz KDZMOSKTCMUZTG-HKUYNNGSSA-N 2 1 345.531 3.029 20 0 EGADMP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001025525418 1324371968 /nfs/dbraw/zinc/37/19/68/1324371968.db2.gz NYJXYVKACLLQLC-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001025527575 1324373034 /nfs/dbraw/zinc/37/30/34/1324373034.db2.gz YJRSMBDWEKRHRR-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025597214 1324445512 /nfs/dbraw/zinc/44/55/12/1324445512.db2.gz OGPZSSIYAHYYDX-IRXDYDNUSA-N 2 1 346.519 3.024 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025597214 1324445521 /nfs/dbraw/zinc/44/55/21/1324445521.db2.gz OGPZSSIYAHYYDX-IRXDYDNUSA-N 2 1 346.519 3.024 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2ccccc2)CC1 ZINC001026492405 1324845643 /nfs/dbraw/zinc/84/56/43/1324845643.db2.gz LDGKTDNSWMGTGL-SOAGJPPSSA-N 2 1 343.515 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2ccsc2)CC1 ZINC001026492188 1324846214 /nfs/dbraw/zinc/84/62/14/1324846214.db2.gz FCZUMOUNGJUAST-DAWZGUTISA-N 2 1 349.544 3.138 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026571739 1324905013 /nfs/dbraw/zinc/90/50/13/1324905013.db2.gz JQOGCEHJSPSHMP-SOAGJPPSSA-N 2 1 349.563 3.457 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NC2CCC([NH2+]CCC3=CCCCC3)CC2)C1 ZINC001026592492 1324918702 /nfs/dbraw/zinc/91/87/02/1324918702.db2.gz CNKQUYKTOYDHHG-XEVCZEQESA-N 2 1 347.547 3.236 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001026887675 1325062470 /nfs/dbraw/zinc/06/24/70/1325062470.db2.gz SZHLOOYWSVLGOQ-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001026920646 1325084356 /nfs/dbraw/zinc/08/43/56/1325084356.db2.gz GBQZATRUOJVAMT-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP COc1ccc(Oc2cc(C[NH2+][C@H]3C[C@@H]([NH3+])C34CCC4)ccn2)cc1 ZINC000925472668 1325166433 /nfs/dbraw/zinc/16/64/33/1325166433.db2.gz FTKHQDNKSDMHDC-MSOLQXFVSA-N 2 1 339.439 3.242 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CCC([NH2+]CC2CC2)CC1 ZINC000963419067 1325227121 /nfs/dbraw/zinc/22/71/21/1325227121.db2.gz CAFXZNQTTAVGQH-AFMYVXGZSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001027102776 1325227926 /nfs/dbraw/zinc/22/79/26/1325227926.db2.gz MIQKLQZFVQGHSO-GOSISDBHSA-N 2 1 346.519 3.025 20 0 EGADMP CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000963421352 1325231236 /nfs/dbraw/zinc/23/12/36/1325231236.db2.gz QMTNYMJWPAOUQR-TVPLGVNVSA-N 2 1 335.536 3.163 20 0 EGADMP FC(F)(F)c1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)ccn1 ZINC000925680496 1325260563 /nfs/dbraw/zinc/26/05/63/1325260563.db2.gz RBLYLEGZWBTMJJ-GJZGRUSLSA-N 2 1 327.394 3.358 20 0 EGADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925711863 1325267493 /nfs/dbraw/zinc/26/74/93/1325267493.db2.gz DYHPFPHHAYJJGK-KURKYZTESA-N 2 1 330.472 3.277 20 0 EGADMP OCC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000926143904 1325446752 /nfs/dbraw/zinc/44/67/52/1325446752.db2.gz QQTINUSMNQUZOH-IHWFROFDSA-N 2 1 328.500 3.324 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CCC)CC1 ZINC000964151807 1325482710 /nfs/dbraw/zinc/48/27/10/1325482710.db2.gz DVTATPPSNSKEPH-CTWPCTMYSA-N 2 1 337.552 3.410 20 0 EGADMP C[N@@H+](CCNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)C1CCCC1 ZINC000857117958 1325574267 /nfs/dbraw/zinc/57/42/67/1325574267.db2.gz XXGGGKBMVUACCC-IBGZPJMESA-N 2 1 343.515 3.100 20 0 EGADMP C[NH+](CCNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)C1CCCC1 ZINC000857117958 1325574274 /nfs/dbraw/zinc/57/42/74/1325574274.db2.gz XXGGGKBMVUACCC-IBGZPJMESA-N 2 1 343.515 3.100 20 0 EGADMP C[NH+](CCNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)C1CCCC1 ZINC000857117958 1325574284 /nfs/dbraw/zinc/57/42/84/1325574284.db2.gz XXGGGKBMVUACCC-IBGZPJMESA-N 2 1 343.515 3.100 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027409840 1327636407 /nfs/dbraw/zinc/63/64/07/1327636407.db2.gz OTTLXWCOHXGRLN-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027409840 1327636415 /nfs/dbraw/zinc/63/64/15/1327636415.db2.gz OTTLXWCOHXGRLN-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027409840 1327636424 /nfs/dbraw/zinc/63/64/24/1327636424.db2.gz OTTLXWCOHXGRLN-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1 ZINC001027416158 1327643601 /nfs/dbraw/zinc/64/36/01/1327643601.db2.gz AAZQYTVQXTVCMI-FUHWJXTLSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC001027416158 1327643608 /nfs/dbraw/zinc/64/36/08/1327643608.db2.gz AAZQYTVQXTVCMI-FUHWJXTLSA-N 2 1 346.519 3.120 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1)C1CC1 ZINC001027445083 1327684181 /nfs/dbraw/zinc/68/41/81/1327684181.db2.gz ZMUGKUAVKBIPMQ-UXHICEINSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1)[NH+](C)C ZINC001027452247 1327692738 /nfs/dbraw/zinc/69/27/38/1327692738.db2.gz LMYUWAUIAVNYOB-UXHICEINSA-N 2 1 349.563 3.386 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(C)ccc2C)C1)[NH+](C)C ZINC001027459997 1327703014 /nfs/dbraw/zinc/70/30/14/1327703014.db2.gz FKGNJCIROCVDQH-WOJBJXKFSA-N 2 1 345.531 3.066 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1)[NH+](C)C ZINC001027461489 1327707229 /nfs/dbraw/zinc/70/72/29/1327707229.db2.gz LNXKHKXRJYQHEE-RTBURBONSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc3ccccc3[nH]1)C2 ZINC000926879103 1327752973 /nfs/dbraw/zinc/75/29/73/1327752973.db2.gz IIQRTKWRKKXAAC-NAHVHIFSSA-N 2 1 341.499 3.298 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)[NH+](C)C ZINC001027564230 1327886997 /nfs/dbraw/zinc/88/69/97/1327886997.db2.gz UEMQNWATBNKTLO-RBUKOAKNSA-N 2 1 349.563 3.076 20 0 EGADMP C[N@@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577754 1327913817 /nfs/dbraw/zinc/91/38/17/1327913817.db2.gz SKMNEFQSNJJNFL-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCC1)[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001027577754 1327913823 /nfs/dbraw/zinc/91/38/23/1327913823.db2.gz SKMNEFQSNJJNFL-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCC1)[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001027577754 1327913829 /nfs/dbraw/zinc/91/38/29/1327913829.db2.gz SKMNEFQSNJJNFL-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC(C)C)C1 ZINC001027646150 1328022418 /nfs/dbraw/zinc/02/24/18/1328022418.db2.gz CSWAUWCQRLCHFB-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC(C)C)C1 ZINC001027646150 1328022421 /nfs/dbraw/zinc/02/24/21/1328022421.db2.gz CSWAUWCQRLCHFB-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC(C)C)C1 ZINC001027646150 1328022427 /nfs/dbraw/zinc/02/24/27/1328022427.db2.gz CSWAUWCQRLCHFB-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP C[N@@H+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027650931 1328032226 /nfs/dbraw/zinc/03/22/26/1328032226.db2.gz KGTWUOLLXPFUCO-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001027650931 1328032232 /nfs/dbraw/zinc/03/22/32/1328032232.db2.gz KGTWUOLLXPFUCO-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027650931 1328032240 /nfs/dbraw/zinc/03/22/40/1328032240.db2.gz KGTWUOLLXPFUCO-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCCC2)C1 ZINC001027681944 1328080035 /nfs/dbraw/zinc/08/00/35/1328080035.db2.gz GEBQWEXKUHZQCK-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC001027681944 1328080040 /nfs/dbraw/zinc/08/00/40/1328080040.db2.gz GEBQWEXKUHZQCK-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)c1 ZINC001027682556 1328081468 /nfs/dbraw/zinc/08/14/68/1328081468.db2.gz RDZGIAGVLQZMMQ-AZUAARDMSA-N 2 1 343.515 3.075 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1)[NH+]1CCCCC1 ZINC001027694552 1328101341 /nfs/dbraw/zinc/10/13/41/1328101341.db2.gz CHHGNGHYCGTNDR-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1)c1ccccc1 ZINC001027697904 1328108576 /nfs/dbraw/zinc/10/85/76/1328108576.db2.gz YQNRYHRMOQXIPK-VQTJNVASSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1)c1ccccc1 ZINC001027697904 1328108582 /nfs/dbraw/zinc/10/85/82/1328108582.db2.gz YQNRYHRMOQXIPK-VQTJNVASSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027878776 1328345055 /nfs/dbraw/zinc/34/50/55/1328345055.db2.gz ILEUTCBBOYWDLO-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC001027878776 1328345066 /nfs/dbraw/zinc/34/50/66/1328345066.db2.gz ILEUTCBBOYWDLO-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCCC1 ZINC001027878776 1328345072 /nfs/dbraw/zinc/34/50/72/1328345072.db2.gz ILEUTCBBOYWDLO-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885218 1328351946 /nfs/dbraw/zinc/35/19/46/1328351946.db2.gz BNMDCHOKDBSDDD-QUCCMNQESA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885218 1328351955 /nfs/dbraw/zinc/35/19/55/1328351955.db2.gz BNMDCHOKDBSDDD-QUCCMNQESA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885218 1328351966 /nfs/dbraw/zinc/35/19/66/1328351966.db2.gz BNMDCHOKDBSDDD-QUCCMNQESA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCCC2CCCC2)CC[N@H+]1C ZINC001027893016 1328357368 /nfs/dbraw/zinc/35/73/68/1328357368.db2.gz KCDIOFZFBDYPTP-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCCC2CCCC2)CC[NH+]1C ZINC001027893016 1328357375 /nfs/dbraw/zinc/35/73/75/1328357375.db2.gz KCDIOFZFBDYPTP-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCCC2CCCC2)CC[NH+]1C ZINC001027893016 1328357381 /nfs/dbraw/zinc/35/73/81/1328357381.db2.gz KCDIOFZFBDYPTP-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001027986402 1328457127 /nfs/dbraw/zinc/45/71/27/1328457127.db2.gz WCDXHDIPSDDZBO-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001027986402 1328457132 /nfs/dbraw/zinc/45/71/32/1328457132.db2.gz WCDXHDIPSDDZBO-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC001027986402 1328457134 /nfs/dbraw/zinc/45/71/34/1328457134.db2.gz WCDXHDIPSDDZBO-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[C@@H]([NH3+])c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000863659144 1329571501 /nfs/dbraw/zinc/57/15/01/1329571501.db2.gz COSSWQMNEDZSOW-MRXNPFEDSA-N 2 1 332.448 3.113 20 0 EGADMP C[NH+](C)[C@@H]1CCCN(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000934080914 1329945100 /nfs/dbraw/zinc/94/51/00/1329945100.db2.gz AKLXTHVKOLAKOX-QGZVFWFLSA-N 2 1 345.491 3.020 20 0 EGADMP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000866665576 1330139072 /nfs/dbraw/zinc/13/90/72/1330139072.db2.gz GWLNISWRSNGMOO-CQSZACIVSA-N 2 1 335.879 3.051 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1 ZINC000939247448 1330412330 /nfs/dbraw/zinc/41/23/30/1330412330.db2.gz PCPFMDJNKRQUEU-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[N@H+](CC(C)C)CC2(C)C)ccc2c[nH+]cn21 ZINC000940853773 1331221916 /nfs/dbraw/zinc/22/19/16/1331221916.db2.gz TVCLFVUXUVYCKZ-SFHVURJKSA-N 2 1 342.487 3.129 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000941158446 1331361585 /nfs/dbraw/zinc/36/15/85/1331361585.db2.gz NZMRRXLFGJJWHK-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942303033 1331898284 /nfs/dbraw/zinc/89/82/84/1331898284.db2.gz JYOKLIZEGVZFIK-DNVCBOLYSA-N 2 1 342.487 3.211 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556100 1331971232 /nfs/dbraw/zinc/97/12/32/1331971232.db2.gz VQHXVJDUPOEBGG-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[N@@H+](CC2CCCCC2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557361 1331971264 /nfs/dbraw/zinc/97/12/64/1331971264.db2.gz GGXILFIHCYETSO-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[N@@H+](CCCC2CCC2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557861 1331972767 /nfs/dbraw/zinc/97/27/67/1331972767.db2.gz OABNJLKAHQQQKZ-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942720398 1332024748 /nfs/dbraw/zinc/02/47/48/1332024748.db2.gz IQHJBPOFEMDUNX-PXNSSMCTSA-N 2 1 345.531 3.031 20 0 EGADMP C[C@H]1C[N@@H+](CC2=CCCCC2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821368 1332042093 /nfs/dbraw/zinc/04/20/93/1332042093.db2.gz DVKHPHGVARVRCN-PKOBYXMFSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1C[NH+](CC2=CCCCC2)CC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821368 1332042095 /nfs/dbraw/zinc/04/20/95/1332042095.db2.gz DVKHPHGVARVRCN-PKOBYXMFSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1C[NH+](CC2=CCCCC2)CC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821368 1332042097 /nfs/dbraw/zinc/04/20/97/1332042097.db2.gz DVKHPHGVARVRCN-PKOBYXMFSA-N 2 1 347.547 3.045 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CC3CCCCC3)C[C@H]2C)CC1 ZINC000943755717 1332254913 /nfs/dbraw/zinc/25/49/13/1332254913.db2.gz HOPJUCOUXLBYHM-UYAOXDASSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CC1CCCC1 ZINC000947309598 1333083954 /nfs/dbraw/zinc/08/39/54/1333083954.db2.gz GJYQXMWODTVOQG-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@H+]1CCC(C)(C)C ZINC000947662723 1333213013 /nfs/dbraw/zinc/21/30/13/1333213013.db2.gz LOYSKBSGFZICAM-WBVHZDCISA-N 2 1 349.519 3.360 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947722004 1333240671 /nfs/dbraw/zinc/24/06/71/1333240671.db2.gz CRBSAJZATDGOAS-YLJYHZDGSA-N 2 1 345.531 3.174 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CC3=CCCCC3)[C@H](C)C2)CC1 ZINC000947851815 1333279554 /nfs/dbraw/zinc/27/95/54/1333279554.db2.gz AVQUTPLTLUUOBK-UYAOXDASSA-N 2 1 347.547 3.188 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)[C@@H](C)C2)CC1 ZINC000947851802 1333279631 /nfs/dbraw/zinc/27/96/31/1333279631.db2.gz ANDRPKXSDPLLIM-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)[C@H](C)C2)CC1 ZINC000947882116 1333289898 /nfs/dbraw/zinc/28/98/98/1333289898.db2.gz OEERCOLWLSZEQA-YLJYHZDGSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947907366 1333301241 /nfs/dbraw/zinc/30/12/41/1333301241.db2.gz GZFJUGBWRBLIOL-PXNSSMCTSA-N 2 1 347.547 3.044 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC000948039396 1333349656 /nfs/dbraw/zinc/34/96/56/1333349656.db2.gz GPCKCLYFUFOREC-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948385605 1333504339 /nfs/dbraw/zinc/50/43/39/1333504339.db2.gz MTUIACJQIGHBCR-BHIYHBOVSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948385605 1333504340 /nfs/dbraw/zinc/50/43/40/1333504340.db2.gz MTUIACJQIGHBCR-BHIYHBOVSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948385605 1333504341 /nfs/dbraw/zinc/50/43/41/1333504341.db2.gz MTUIACJQIGHBCR-BHIYHBOVSA-N 2 1 337.552 3.076 20 0 EGADMP CCCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575518 1333583091 /nfs/dbraw/zinc/58/30/91/1333583091.db2.gz ZPPZHMVXKYJOGF-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948575518 1333583094 /nfs/dbraw/zinc/58/30/94/1333583094.db2.gz ZPPZHMVXKYJOGF-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948575518 1333583097 /nfs/dbraw/zinc/58/30/97/1333583097.db2.gz ZPPZHMVXKYJOGF-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948583220 1333584632 /nfs/dbraw/zinc/58/46/32/1333584632.db2.gz LKHIZYRPHOWDDY-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948591207 1333587343 /nfs/dbraw/zinc/58/73/43/1333587343.db2.gz SHPTXNBJNBHSCM-SFHVURJKSA-N 2 1 340.471 3.227 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948594441 1333588823 /nfs/dbraw/zinc/58/88/23/1333588823.db2.gz MENNHKLHFNDQCV-SJORKVTESA-N 2 1 346.450 3.009 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948642832 1333608883 /nfs/dbraw/zinc/60/88/83/1333608883.db2.gz OJCUHVWBCAYAPQ-UXHICEINSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000948755685 1333663516 /nfs/dbraw/zinc/66/35/16/1333663516.db2.gz ILZGNEOAVKKVOW-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[NH+](CC2CCC(C)CC2)CC1 ZINC000948755791 1333663842 /nfs/dbraw/zinc/66/38/42/1333663842.db2.gz LQKPTOAUYPKMHE-MHJFOBGBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948767141 1333669760 /nfs/dbraw/zinc/66/97/60/1333669760.db2.gz QYYPERPITIMHGN-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000948767141 1333669764 /nfs/dbraw/zinc/66/97/64/1333669764.db2.gz QYYPERPITIMHGN-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000948767141 1333669768 /nfs/dbraw/zinc/66/97/68/1333669768.db2.gz QYYPERPITIMHGN-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820223 1333697276 /nfs/dbraw/zinc/69/72/76/1333697276.db2.gz CGYGRFVUNDLYDR-MSOLQXFVSA-N 2 1 348.535 3.366 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820223 1333697278 /nfs/dbraw/zinc/69/72/78/1333697278.db2.gz CGYGRFVUNDLYDR-MSOLQXFVSA-N 2 1 348.535 3.366 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829162 1333700893 /nfs/dbraw/zinc/70/08/93/1333700893.db2.gz FWMYSDBUTCLYBG-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829162 1333700895 /nfs/dbraw/zinc/70/08/95/1333700895.db2.gz FWMYSDBUTCLYBG-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000948829162 1333700900 /nfs/dbraw/zinc/70/09/00/1333700900.db2.gz FWMYSDBUTCLYBG-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948829443 1333701151 /nfs/dbraw/zinc/70/11/51/1333701151.db2.gz NBPLSUWRPCOVLC-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948829443 1333701155 /nfs/dbraw/zinc/70/11/55/1333701155.db2.gz NBPLSUWRPCOVLC-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948829443 1333701157 /nfs/dbraw/zinc/70/11/57/1333701157.db2.gz NBPLSUWRPCOVLC-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC000948853758 1333709859 /nfs/dbraw/zinc/70/98/59/1333709859.db2.gz AAUKGRJTHZYOHQ-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CC1CCC(C[N@H+]2CCC[C@@H](N(C)C(=O)Cc3ncc[nH]3)CC2)CC1 ZINC000948886404 1333719696 /nfs/dbraw/zinc/71/96/96/1333719696.db2.gz NLBJNIMYZLWZSQ-DAWZGUTISA-N 2 1 346.519 3.091 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](CC3CCC(C)CC3)CC2)C1 ZINC000949800881 1333926888 /nfs/dbraw/zinc/92/68/88/1333926888.db2.gz MDAKCXBDMISXIY-MHJFOBGBSA-N 2 1 349.563 3.079 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1C[NH+](CCCC2CCCC2)C1 ZINC000950063318 1334005891 /nfs/dbraw/zinc/00/58/91/1334005891.db2.gz HXCMGLKWGPZUML-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1C[NH+](CCCC2CCCC2)C1 ZINC000950063318 1334005896 /nfs/dbraw/zinc/00/58/96/1334005896.db2.gz HXCMGLKWGPZUML-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+](CCCC3CCCC3)C2)CC[N@H+]1C ZINC000950367286 1334051555 /nfs/dbraw/zinc/05/15/55/1334051555.db2.gz BVOPTFSEFCFPCK-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN([C@@H](C)c3ccccc3)C2)CC[N@H+]1C ZINC000950370694 1334052744 /nfs/dbraw/zinc/05/27/44/1334052744.db2.gz DZOCGXZTIITDFP-FFZOFVMBSA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+]([C@@H](C)c3ccccc3)C2)CC[N@@H+]1C ZINC000950370694 1334052748 /nfs/dbraw/zinc/05/27/48/1334052748.db2.gz DZOCGXZTIITDFP-FFZOFVMBSA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+]([C@@H](C)c3ccccc3)C2)CC[N@H+]1C ZINC000950370694 1334052750 /nfs/dbraw/zinc/05/27/50/1334052750.db2.gz DZOCGXZTIITDFP-FFZOFVMBSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000951196589 1334204174 /nfs/dbraw/zinc/20/41/74/1334204174.db2.gz YFLJQSXBSFYOLV-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000951362250 1334231276 /nfs/dbraw/zinc/23/12/76/1334231276.db2.gz NVBOPMUUAJILCH-PXNSSMCTSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000951362249 1334231538 /nfs/dbraw/zinc/23/15/38/1334231538.db2.gz NVBOPMUUAJILCH-FXAWDEMLSA-N 2 1 349.563 3.362 20 0 EGADMP O=C([C@H]1CCC[C@@H]2CCC[N@H+]21)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000951628648 1334281145 /nfs/dbraw/zinc/28/11/45/1334281145.db2.gz YEPKHJKMVGBLPP-WOJBJXKFSA-N 2 1 347.547 3.118 20 0 EGADMP O=C([C@@H]1CCC[C@@H]2CCC[N@H+]21)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000951628491 1334281309 /nfs/dbraw/zinc/28/13/09/1334281309.db2.gz SNOPHTPFOQNZNG-UXHICEINSA-N 2 1 347.547 3.118 20 0 EGADMP O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000951628490 1334281641 /nfs/dbraw/zinc/28/16/41/1334281641.db2.gz SNOPHTPFOQNZNG-PMACEKPBSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417288 1335924495 /nfs/dbraw/zinc/92/44/95/1335924495.db2.gz FEFRCHAHGGFDBC-PXNSSMCTSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968850392 1336067315 /nfs/dbraw/zinc/06/73/15/1336067315.db2.gz XTPCNXOMJDJUDY-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000968850392 1336067318 /nfs/dbraw/zinc/06/73/18/1336067318.db2.gz XTPCNXOMJDJUDY-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000968850392 1336067322 /nfs/dbraw/zinc/06/73/22/1336067322.db2.gz XTPCNXOMJDJUDY-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCC1 ZINC000968849634 1336067900 /nfs/dbraw/zinc/06/79/00/1336067900.db2.gz BYCZRNRIOUYDOL-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCC1 ZINC000968849634 1336067901 /nfs/dbraw/zinc/06/79/01/1336067901.db2.gz BYCZRNRIOUYDOL-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCC1 ZINC000968849634 1336067903 /nfs/dbraw/zinc/06/79/03/1336067903.db2.gz BYCZRNRIOUYDOL-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000968858379 1336070787 /nfs/dbraw/zinc/07/07/87/1336070787.db2.gz CSWBLFIYFHLUQO-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000968858379 1336070790 /nfs/dbraw/zinc/07/07/90/1336070790.db2.gz CSWBLFIYFHLUQO-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000968858379 1336070791 /nfs/dbraw/zinc/07/07/91/1336070791.db2.gz CSWBLFIYFHLUQO-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCC1 ZINC000968882512 1336079392 /nfs/dbraw/zinc/07/93/92/1336079392.db2.gz PFZHEXYQXCTQSV-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCC1 ZINC000968882512 1336079394 /nfs/dbraw/zinc/07/93/94/1336079394.db2.gz PFZHEXYQXCTQSV-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCC1 ZINC000968882512 1336079396 /nfs/dbraw/zinc/07/93/96/1336079396.db2.gz PFZHEXYQXCTQSV-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968888468 1336080313 /nfs/dbraw/zinc/08/03/13/1336080313.db2.gz VQEUVHUKCFPPAR-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000968888468 1336080314 /nfs/dbraw/zinc/08/03/14/1336080314.db2.gz VQEUVHUKCFPPAR-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000968888468 1336080316 /nfs/dbraw/zinc/08/03/16/1336080316.db2.gz VQEUVHUKCFPPAR-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC000968915697 1336087143 /nfs/dbraw/zinc/08/71/43/1336087143.db2.gz NTYRLEWXXPPRBG-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969059807 1336133408 /nfs/dbraw/zinc/13/34/08/1336133408.db2.gz RRBMHMGWCIHBSY-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000969059807 1336133411 /nfs/dbraw/zinc/13/34/11/1336133411.db2.gz RRBMHMGWCIHBSY-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000969059807 1336133413 /nfs/dbraw/zinc/13/34/13/1336133413.db2.gz RRBMHMGWCIHBSY-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CCC2CCCCC2)C1 ZINC000969144424 1336160894 /nfs/dbraw/zinc/16/08/94/1336160894.db2.gz LNECUOQULVGBNT-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CCC2CCCCC2)C1 ZINC000969144424 1336160896 /nfs/dbraw/zinc/16/08/96/1336160896.db2.gz LNECUOQULVGBNT-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CCC2CCCCC2)C1 ZINC000969144424 1336160898 /nfs/dbraw/zinc/16/08/98/1336160898.db2.gz LNECUOQULVGBNT-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CCCC2CCCC2)C1 ZINC000969144829 1336161019 /nfs/dbraw/zinc/16/10/19/1336161019.db2.gz UUQUSHZRFQTVDF-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CCCC2CCCC2)C1 ZINC000969144829 1336161024 /nfs/dbraw/zinc/16/10/24/1336161024.db2.gz UUQUSHZRFQTVDF-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[N@H+]2CCCC2CCCC2)C1 ZINC000969144829 1336161028 /nfs/dbraw/zinc/16/10/28/1336161028.db2.gz UUQUSHZRFQTVDF-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCC2=CCCCC2)C1 ZINC000969144606 1336161346 /nfs/dbraw/zinc/16/13/46/1336161346.db2.gz PNWAXGJGZNUQNS-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC2=CCCCC2)C1 ZINC000969144606 1336161348 /nfs/dbraw/zinc/16/13/48/1336161348.db2.gz PNWAXGJGZNUQNS-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CCC2=CCCCC2)C1 ZINC000969144606 1336161350 /nfs/dbraw/zinc/16/13/50/1336161350.db2.gz PNWAXGJGZNUQNS-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1CC1 ZINC000969156382 1336166165 /nfs/dbraw/zinc/16/61/65/1336166165.db2.gz RKCBZCZQCJJUJV-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CC1 ZINC000969156382 1336166167 /nfs/dbraw/zinc/16/61/67/1336166167.db2.gz RKCBZCZQCJJUJV-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CC1 ZINC000969156382 1336166168 /nfs/dbraw/zinc/16/61/68/1336166168.db2.gz RKCBZCZQCJJUJV-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2=CCCCC2)C1 ZINC000969794520 1336248098 /nfs/dbraw/zinc/24/80/98/1336248098.db2.gz WPDRRCHLIRKZBE-FXAWDEMLSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000970143303 1336283963 /nfs/dbraw/zinc/28/39/63/1336283963.db2.gz VMWICPFPCNYLFV-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005581270 1336375234 /nfs/dbraw/zinc/37/52/34/1336375234.db2.gz KIPIQUPCRTVWKW-MOPGFXCFSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CC[NH+](CC2CCCC2)CC1 ZINC001005585342 1336376255 /nfs/dbraw/zinc/37/62/55/1336376255.db2.gz RVDXSBQCEKOGPV-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001005639270 1336386741 /nfs/dbraw/zinc/38/67/41/1336386741.db2.gz HRDKVDDVJMDAIP-IEBWSBKVSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C2CC[NH+](CC3CC(C)C3)CC2)C1 ZINC001005870363 1336413439 /nfs/dbraw/zinc/41/34/39/1336413439.db2.gz JGGLDFZMLGVGQG-ACBHZAAOSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001005873489 1336414126 /nfs/dbraw/zinc/41/41/26/1336414126.db2.gz PIVOMVVDUAPCQN-IBGZPJMESA-N 2 1 335.536 3.116 20 0 EGADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001006001853 1336436047 /nfs/dbraw/zinc/43/60/47/1336436047.db2.gz SEBJYKUFPRJVOT-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001006119838 1336454862 /nfs/dbraw/zinc/45/48/62/1336454862.db2.gz NMOSNTLGBDBQGR-OALUTQOASA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001006119851 1336454975 /nfs/dbraw/zinc/45/49/75/1336454975.db2.gz NMOSNTLGBDBQGR-RTBURBONSA-N 2 1 349.563 3.362 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001006445508 1336507501 /nfs/dbraw/zinc/50/75/01/1336507501.db2.gz IARIIYTYLAEBLQ-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001007457487 1336650438 /nfs/dbraw/zinc/65/04/38/1336650438.db2.gz OKHMHRFPFVWKEK-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001007457487 1336650439 /nfs/dbraw/zinc/65/04/39/1336650439.db2.gz OKHMHRFPFVWKEK-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001007457487 1336650442 /nfs/dbraw/zinc/65/04/42/1336650442.db2.gz OKHMHRFPFVWKEK-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3=CCCCC3)C2)C1 ZINC001007495538 1336657475 /nfs/dbraw/zinc/65/74/75/1336657475.db2.gz KXFAFSBUSBQEEF-WOJBJXKFSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC3=CCCCC3)C2)C1 ZINC001007495538 1336657479 /nfs/dbraw/zinc/65/74/79/1336657479.db2.gz KXFAFSBUSBQEEF-WOJBJXKFSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001007495538 1336657482 /nfs/dbraw/zinc/65/74/82/1336657482.db2.gz KXFAFSBUSBQEEF-WOJBJXKFSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001007947429 1336737548 /nfs/dbraw/zinc/73/75/48/1336737548.db2.gz GEZAYAVYLCVHCP-APWZRJJASA-N 2 1 348.450 3.290 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008064429 1336761641 /nfs/dbraw/zinc/76/16/41/1336761641.db2.gz VFCMVMBUSMSQOH-LJQANCHMSA-N 2 1 345.531 3.031 20 0 EGADMP CC1CCC(C[N@H+]2CCC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001008164161 1336782794 /nfs/dbraw/zinc/78/27/94/1336782794.db2.gz RPVOWYAWXJDNDD-CTWPCTMYSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001008529701 1336876674 /nfs/dbraw/zinc/87/66/74/1336876674.db2.gz GEWAWAVYWWHZOW-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001008529701 1336876677 /nfs/dbraw/zinc/87/66/77/1336876677.db2.gz GEWAWAVYWWHZOW-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001008529701 1336876679 /nfs/dbraw/zinc/87/66/79/1336876679.db2.gz GEWAWAVYWWHZOW-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001008534223 1336877627 /nfs/dbraw/zinc/87/76/27/1336877627.db2.gz WFDCQYDGZAMZKV-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001008534223 1336877629 /nfs/dbraw/zinc/87/76/29/1336877629.db2.gz WFDCQYDGZAMZKV-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001008534223 1336877630 /nfs/dbraw/zinc/87/76/30/1336877630.db2.gz WFDCQYDGZAMZKV-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP COc1cc(Br)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001206022252 1370940876 /nfs/dbraw/zinc/94/08/76/1370940876.db2.gz BQIAIVUZRLYJHV-OCCSQVGLSA-N 2 1 341.293 3.265 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001008771934 1336923949 /nfs/dbraw/zinc/92/39/49/1336923949.db2.gz WOGDQXHFHWOMRX-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001008771934 1336923952 /nfs/dbraw/zinc/92/39/52/1336923952.db2.gz WOGDQXHFHWOMRX-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001008771934 1336923954 /nfs/dbraw/zinc/92/39/54/1336923954.db2.gz WOGDQXHFHWOMRX-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001009631354 1337049599 /nfs/dbraw/zinc/04/95/99/1337049599.db2.gz AZRXDDMSSQPRNO-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001009631354 1337049602 /nfs/dbraw/zinc/04/96/02/1337049602.db2.gz AZRXDDMSSQPRNO-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001009631354 1337049605 /nfs/dbraw/zinc/04/96/05/1337049605.db2.gz AZRXDDMSSQPRNO-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001009632981 1337050563 /nfs/dbraw/zinc/05/05/63/1337050563.db2.gz FVWHRNPVDRDAPH-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001009632981 1337050565 /nfs/dbraw/zinc/05/05/65/1337050565.db2.gz FVWHRNPVDRDAPH-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001009632981 1337050567 /nfs/dbraw/zinc/05/05/67/1337050567.db2.gz FVWHRNPVDRDAPH-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014630167 1337853403 /nfs/dbraw/zinc/85/34/03/1337853403.db2.gz MRIWOGBJTAQUMI-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001014630167 1337853407 /nfs/dbraw/zinc/85/34/07/1337853407.db2.gz MRIWOGBJTAQUMI-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001014630167 1337853411 /nfs/dbraw/zinc/85/34/11/1337853411.db2.gz MRIWOGBJTAQUMI-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014724631 1337885646 /nfs/dbraw/zinc/88/56/46/1337885646.db2.gz WDBOXNRBUCMUAN-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014724631 1337885649 /nfs/dbraw/zinc/88/56/49/1337885649.db2.gz WDBOXNRBUCMUAN-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014724631 1337885651 /nfs/dbraw/zinc/88/56/51/1337885651.db2.gz WDBOXNRBUCMUAN-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014724634 1337886061 /nfs/dbraw/zinc/88/60/61/1337886061.db2.gz WDBOXNRBUCMUAN-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014724634 1337886066 /nfs/dbraw/zinc/88/60/66/1337886066.db2.gz WDBOXNRBUCMUAN-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014724634 1337886073 /nfs/dbraw/zinc/88/60/73/1337886073.db2.gz WDBOXNRBUCMUAN-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP CC1(C)CC(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001014728062 1337888538 /nfs/dbraw/zinc/88/85/38/1337888538.db2.gz KNOYNUOKMXVPRE-IEBWSBKVSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001014728062 1337888542 /nfs/dbraw/zinc/88/85/42/1337888542.db2.gz KNOYNUOKMXVPRE-IEBWSBKVSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001014728062 1337888546 /nfs/dbraw/zinc/88/85/46/1337888546.db2.gz KNOYNUOKMXVPRE-IEBWSBKVSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001015781158 1338307384 /nfs/dbraw/zinc/30/73/84/1338307384.db2.gz JTCZFIUGDCHMDJ-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001015781158 1338307386 /nfs/dbraw/zinc/30/73/86/1338307386.db2.gz JTCZFIUGDCHMDJ-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1)[C@@]12CC[NH+](C1)CCC2 ZINC001016124930 1338470004 /nfs/dbraw/zinc/47/00/04/1338470004.db2.gz WRJHCBULTQOSPF-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CCC2CCCCCC2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001016124930 1338470008 /nfs/dbraw/zinc/47/00/08/1338470008.db2.gz WRJHCBULTQOSPF-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CCC2CCCCCC2)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001016124930 1338470009 /nfs/dbraw/zinc/47/00/09/1338470009.db2.gz WRJHCBULTQOSPF-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001016688167 1338690450 /nfs/dbraw/zinc/69/04/50/1338690450.db2.gz OSXIGPJPZMFXDM-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001016860390 1338750381 /nfs/dbraw/zinc/75/03/81/1338750381.db2.gz PYZOQUZIMPBCCI-QGZVFWFLSA-N 2 1 346.519 3.023 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCCC2)C1)[NH+](C)C ZINC001017152226 1338903036 /nfs/dbraw/zinc/90/30/36/1338903036.db2.gz LQXQUTWQSXPHNH-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001017225411 1338965728 /nfs/dbraw/zinc/96/57/28/1338965728.db2.gz YMLVGDIBULCBAC-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001018025677 1339484671 /nfs/dbraw/zinc/48/46/71/1339484671.db2.gz JKJZDCMYUOUYEQ-YSIASYRMSA-N 2 1 349.563 3.362 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001018873904 1339741181 /nfs/dbraw/zinc/74/11/81/1339741181.db2.gz ZHNZUZDFVGOTEN-AEFFLSMTSA-N 2 1 346.519 3.167 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001028334937 1340572050 /nfs/dbraw/zinc/57/20/50/1340572050.db2.gz LCMBLTIQBKBSCY-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001028334937 1340572052 /nfs/dbraw/zinc/57/20/52/1340572052.db2.gz LCMBLTIQBKBSCY-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CC2(CCC2)C1 ZINC001028334937 1340572055 /nfs/dbraw/zinc/57/20/55/1340572055.db2.gz LCMBLTIQBKBSCY-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028595437 1340719484 /nfs/dbraw/zinc/71/94/84/1340719484.db2.gz YUOWIJHUMWGRTM-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028595437 1340719487 /nfs/dbraw/zinc/71/94/87/1340719487.db2.gz YUOWIJHUMWGRTM-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028595437 1340719492 /nfs/dbraw/zinc/71/94/92/1340719492.db2.gz YUOWIJHUMWGRTM-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H](C)[NH2+]CC3CCCC3)CC2)CC[N@H+]1C ZINC001029100711 1340930041 /nfs/dbraw/zinc/93/00/41/1340930041.db2.gz CXACCBFBUGMVSB-LSTHTHJFSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029106582 1340931489 /nfs/dbraw/zinc/93/14/89/1340931489.db2.gz RFVZGHZMFZAPRI-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001029344911 1340974673 /nfs/dbraw/zinc/97/46/73/1340974673.db2.gz GDGXRQGVXZPFKQ-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001029344911 1340974674 /nfs/dbraw/zinc/97/46/74/1340974674.db2.gz GDGXRQGVXZPFKQ-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001029344911 1340974675 /nfs/dbraw/zinc/97/46/75/1340974675.db2.gz GDGXRQGVXZPFKQ-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccccc1C)[NH+](C)C ZINC001029478226 1340998502 /nfs/dbraw/zinc/99/85/02/1340998502.db2.gz GDASYSCWFTZTKA-GNBUJSLZSA-N 2 1 343.515 3.071 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)CC3CCCCCC3)C2)CC[N@H+]1C ZINC001029742209 1341059979 /nfs/dbraw/zinc/05/99/79/1341059979.db2.gz NTDMHCZTQFFTCE-MISYRCLQSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[N@H+](C)CC3CCCCCC3)C2)CC[NH+]1C ZINC001029742209 1341059981 /nfs/dbraw/zinc/05/99/81/1341059981.db2.gz NTDMHCZTQFFTCE-MISYRCLQSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[N@@H+](C)CC3CCCCCC3)C2)CC[NH+]1C ZINC001029742209 1341059982 /nfs/dbraw/zinc/05/99/82/1341059982.db2.gz NTDMHCZTQFFTCE-MISYRCLQSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H](C[NH+](C)CC3CCCC3)C2)C1 ZINC001029816677 1341085014 /nfs/dbraw/zinc/08/50/14/1341085014.db2.gz LWTNZUFHZKZILT-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H](C[N@H+](C)CC3CCCC3)C2)C1 ZINC001029816677 1341085015 /nfs/dbraw/zinc/08/50/15/1341085015.db2.gz LWTNZUFHZKZILT-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H](C[N@@H+](C)CC3CCCC3)C2)C1 ZINC001029816677 1341085016 /nfs/dbraw/zinc/08/50/16/1341085016.db2.gz LWTNZUFHZKZILT-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001029858376 1341098116 /nfs/dbraw/zinc/09/81/16/1341098116.db2.gz BOXQMIFPZXRBKS-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+](C)CC3CCCCC3)CC2)CC[N@H+]1C ZINC001029965826 1341137503 /nfs/dbraw/zinc/13/75/03/1341137503.db2.gz BORYHJIEUORASP-YLJYHZDGSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC(C[N@H+](C)CC3CCCCC3)CC2)CC[NH+]1C ZINC001029965826 1341137505 /nfs/dbraw/zinc/13/75/05/1341137505.db2.gz BORYHJIEUORASP-YLJYHZDGSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC(C[N@@H+](C)CC3CCCCC3)CC2)CC[NH+]1C ZINC001029965826 1341137507 /nfs/dbraw/zinc/13/75/07/1341137507.db2.gz BORYHJIEUORASP-YLJYHZDGSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH+](C)CC2CC2)CC1 ZINC001030010233 1341157082 /nfs/dbraw/zinc/15/70/82/1341157082.db2.gz JMNKWQHLWKMATK-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC2CC2)CC1 ZINC001030010233 1341157084 /nfs/dbraw/zinc/15/70/84/1341157084.db2.gz JMNKWQHLWKMATK-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC2CC2)CC1 ZINC001030010233 1341157086 /nfs/dbraw/zinc/15/70/86/1341157086.db2.gz JMNKWQHLWKMATK-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030033314 1341162290 /nfs/dbraw/zinc/16/22/90/1341162290.db2.gz SSHYJLHFDSZSFI-HBFSDRIKSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030033314 1341162291 /nfs/dbraw/zinc/16/22/91/1341162291.db2.gz SSHYJLHFDSZSFI-HBFSDRIKSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030033314 1341162292 /nfs/dbraw/zinc/16/22/92/1341162292.db2.gz SSHYJLHFDSZSFI-HBFSDRIKSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030033314 1341162293 /nfs/dbraw/zinc/16/22/93/1341162293.db2.gz SSHYJLHFDSZSFI-HBFSDRIKSA-N 2 1 343.515 3.121 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2=CCCCC2)C1 ZINC001031806758 1341404129 /nfs/dbraw/zinc/40/41/29/1341404129.db2.gz NXMWSCJBEBJXFF-FQEVSTJZSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCC1 ZINC001032445941 1341512762 /nfs/dbraw/zinc/51/27/62/1341512762.db2.gz RUWVRCPVUFULFL-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCC1 ZINC001032445941 1341512763 /nfs/dbraw/zinc/51/27/63/1341512763.db2.gz RUWVRCPVUFULFL-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCC1 ZINC001032445941 1341512765 /nfs/dbraw/zinc/51/27/65/1341512765.db2.gz RUWVRCPVUFULFL-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001033468416 1341838480 /nfs/dbraw/zinc/83/84/80/1341838480.db2.gz ZFWMFYDBEPMCAN-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033472045 1341840025 /nfs/dbraw/zinc/84/00/25/1341840025.db2.gz RCSKUJGMGKHCHY-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033472045 1341840027 /nfs/dbraw/zinc/84/00/27/1341840027.db2.gz RCSKUJGMGKHCHY-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033472045 1341840029 /nfs/dbraw/zinc/84/00/29/1341840029.db2.gz RCSKUJGMGKHCHY-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCCCC3)[C@@H]2C)CC[N@H+]1C ZINC001074662025 1356221810 /nfs/dbraw/zinc/22/18/10/1356221810.db2.gz XXRRLYFLAAQUHH-BWPNAZKDSA-N 2 1 349.563 3.266 20 0 EGADMP CCN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033853393 1342044590 /nfs/dbraw/zinc/04/45/90/1342044590.db2.gz AHDQKAAKMSNCCP-SJORKVTESA-N 2 1 346.519 3.120 20 0 EGADMP CCN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033853393 1342044592 /nfs/dbraw/zinc/04/45/92/1342044592.db2.gz AHDQKAAKMSNCCP-SJORKVTESA-N 2 1 346.519 3.120 20 0 EGADMP CCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001034014892 1342152229 /nfs/dbraw/zinc/15/22/29/1342152229.db2.gz FUEJILVMYIKBCQ-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001034037764 1342177004 /nfs/dbraw/zinc/17/70/04/1342177004.db2.gz FGWUGCAVOJHTQH-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001034037764 1342177007 /nfs/dbraw/zinc/17/70/07/1342177007.db2.gz FGWUGCAVOJHTQH-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001034037764 1342177009 /nfs/dbraw/zinc/17/70/09/1342177009.db2.gz FGWUGCAVOJHTQH-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034046130 1342186164 /nfs/dbraw/zinc/18/61/64/1342186164.db2.gz QEZJPHCZOJHJHQ-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001034046275 1342186080 /nfs/dbraw/zinc/18/60/80/1342186080.db2.gz RFOPGNMTNKLLSE-OPUMOTSWSA-N 2 1 349.906 3.037 20 0 EGADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001034046275 1342186081 /nfs/dbraw/zinc/18/60/81/1342186081.db2.gz RFOPGNMTNKLLSE-OPUMOTSWSA-N 2 1 349.906 3.037 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034131585 1342261555 /nfs/dbraw/zinc/26/15/55/1342261555.db2.gz NQFMDYFZKRDMSB-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCCCC2)C1 ZINC001034131585 1342261558 /nfs/dbraw/zinc/26/15/58/1342261558.db2.gz NQFMDYFZKRDMSB-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCCCC2)C1 ZINC001034131585 1342261560 /nfs/dbraw/zinc/26/15/60/1342261560.db2.gz NQFMDYFZKRDMSB-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034209587 1342319416 /nfs/dbraw/zinc/31/94/16/1342319416.db2.gz BXJCXJUMIKYMSM-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034212979 1342322589 /nfs/dbraw/zinc/32/25/89/1342322589.db2.gz SOAFPXIHLQRSPC-RBUKOAKNSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034212979 1342322592 /nfs/dbraw/zinc/32/25/92/1342322592.db2.gz SOAFPXIHLQRSPC-RBUKOAKNSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034212979 1342322595 /nfs/dbraw/zinc/32/25/95/1342322595.db2.gz SOAFPXIHLQRSPC-RBUKOAKNSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CCCC3CCC3)C2)CC[N@H+]1C ZINC001034217191 1342324275 /nfs/dbraw/zinc/32/42/75/1342324275.db2.gz OTKPUPGWWBVLOM-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCCC3CCC3)C2)CC[NH+]1C ZINC001034217191 1342324277 /nfs/dbraw/zinc/32/42/77/1342324277.db2.gz OTKPUPGWWBVLOM-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCCC3CCC3)C2)CC[NH+]1C ZINC001034217191 1342324281 /nfs/dbraw/zinc/32/42/81/1342324281.db2.gz OTKPUPGWWBVLOM-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034241284 1342341194 /nfs/dbraw/zinc/34/11/94/1342341194.db2.gz XGOMOSOPWFGXQK-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccsc2)C1 ZINC001034241284 1342341199 /nfs/dbraw/zinc/34/11/99/1342341199.db2.gz XGOMOSOPWFGXQK-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccsc2)C1 ZINC001034241284 1342341200 /nfs/dbraw/zinc/34/12/00/1342341200.db2.gz XGOMOSOPWFGXQK-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034332478 1342406717 /nfs/dbraw/zinc/40/67/17/1342406717.db2.gz ZNBPKZFIOPGCDK-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001034393673 1342462635 /nfs/dbraw/zinc/46/26/35/1342462635.db2.gz GWHNKOWUKBCZJM-QUCCMNQESA-N 2 1 347.547 3.189 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001034393673 1342462638 /nfs/dbraw/zinc/46/26/38/1342462638.db2.gz GWHNKOWUKBCZJM-QUCCMNQESA-N 2 1 347.547 3.189 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001034393673 1342462640 /nfs/dbraw/zinc/46/26/40/1342462640.db2.gz GWHNKOWUKBCZJM-QUCCMNQESA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034395707 1342464233 /nfs/dbraw/zinc/46/42/33/1342464233.db2.gz BWMHWGWNRFNMLJ-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](CCC2CCCCC2)C1 ZINC001034395707 1342464235 /nfs/dbraw/zinc/46/42/35/1342464235.db2.gz BWMHWGWNRFNMLJ-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001034395707 1342464238 /nfs/dbraw/zinc/46/42/38/1342464238.db2.gz BWMHWGWNRFNMLJ-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034436771 1342499177 /nfs/dbraw/zinc/49/91/77/1342499177.db2.gz CGNVVJVLSVVVNH-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CC2)C1 ZINC001034436771 1342499180 /nfs/dbraw/zinc/49/91/80/1342499180.db2.gz CGNVVJVLSVVVNH-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CC2)C1 ZINC001034436771 1342499182 /nfs/dbraw/zinc/49/91/82/1342499182.db2.gz CGNVVJVLSVVVNH-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC)C1 ZINC001034481132 1342537764 /nfs/dbraw/zinc/53/77/64/1342537764.db2.gz QURGPKNVEDEQOW-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCC)C1 ZINC001034481132 1342537769 /nfs/dbraw/zinc/53/77/69/1342537769.db2.gz QURGPKNVEDEQOW-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCC)C1 ZINC001034481132 1342537772 /nfs/dbraw/zinc/53/77/72/1342537772.db2.gz QURGPKNVEDEQOW-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034490475 1342547213 /nfs/dbraw/zinc/54/72/13/1342547213.db2.gz KCQWYAJTGARTFG-QGZVFWFLSA-N 2 1 346.519 3.168 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034490475 1342547216 /nfs/dbraw/zinc/54/72/16/1342547216.db2.gz KCQWYAJTGARTFG-QGZVFWFLSA-N 2 1 346.519 3.168 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001034659127 1342676185 /nfs/dbraw/zinc/67/61/85/1342676185.db2.gz NGOOILFEEXBMSQ-UFYCRDLUSA-N 2 1 347.547 3.378 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001034672396 1342683326 /nfs/dbraw/zinc/68/33/26/1342683326.db2.gz MHMJAERAYHWZNP-GUDVDZBRSA-N 2 1 347.547 3.068 20 0 EGADMP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001034753960 1342739221 /nfs/dbraw/zinc/73/92/21/1342739221.db2.gz NMUGWJLUKPEMQU-LWYYNNOASA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001034959067 1342853276 /nfs/dbraw/zinc/85/32/76/1342853276.db2.gz QINOCNFQKKWASV-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC1CC(C[NH2+]C[C@H]2CCCN2C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001034977831 1342862431 /nfs/dbraw/zinc/86/24/31/1342862431.db2.gz BAFZTVKCSKGLEQ-FAFZWHIHSA-N 2 1 349.563 3.266 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001035013304 1342875974 /nfs/dbraw/zinc/87/59/74/1342875974.db2.gz GAPAFDFTGJAFQQ-QWFCFKBJSA-N 2 1 343.515 3.039 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001035051979 1342899430 /nfs/dbraw/zinc/89/94/30/1342899430.db2.gz VCYYRCDOIOIRBR-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC2(C1)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)CC2 ZINC001035240453 1343062700 /nfs/dbraw/zinc/06/27/00/1343062700.db2.gz SRHQUTRSZJUMIB-UHFFFAOYSA-N 2 1 343.515 3.086 20 0 EGADMP CC(C)[N@H+]1CCC2(C1)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)CC2 ZINC001035240110 1343063112 /nfs/dbraw/zinc/06/31/12/1343063112.db2.gz NHRTZZOYJBWJBV-UHFFFAOYSA-N 2 1 343.515 3.085 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244079 1343065828 /nfs/dbraw/zinc/06/58/28/1343065828.db2.gz ILWPFMDJZRASSI-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC[NH+](CCC)C2)CC1 ZINC001035244892 1343066409 /nfs/dbraw/zinc/06/64/09/1343066409.db2.gz WFYUDAHHMZCTEG-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](CCC)C2)CC1 ZINC001035244892 1343066410 /nfs/dbraw/zinc/06/64/10/1343066410.db2.gz WFYUDAHHMZCTEG-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CCC)C2)CC1 ZINC001035244892 1343066412 /nfs/dbraw/zinc/06/64/12/1343066412.db2.gz WFYUDAHHMZCTEG-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035259876 1343086538 /nfs/dbraw/zinc/08/65/38/1343086538.db2.gz JBKVWQVNLSKORI-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260314 1343086584 /nfs/dbraw/zinc/08/65/84/1343086584.db2.gz TVSHHGLLCRNQAY-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC2(CC[N@H+](CC=C(C)C)C2)CC1 ZINC001035260163 1343086671 /nfs/dbraw/zinc/08/66/71/1343086671.db2.gz QIIVYMHPDJYFKL-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CC=C(C)C)C2)CC1 ZINC001035260163 1343086672 /nfs/dbraw/zinc/08/66/72/1343086672.db2.gz QIIVYMHPDJYFKL-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)CC2 ZINC001035259683 1343087043 /nfs/dbraw/zinc/08/70/43/1343087043.db2.gz CMNTZJIMRZYKMH-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CCC(C)(C)C1)CC2 ZINC001035799247 1343203960 /nfs/dbraw/zinc/20/39/60/1343203960.db2.gz XDBJPMDMPSNMQO-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001036453880 1343495824 /nfs/dbraw/zinc/49/58/24/1343495824.db2.gz GRTSIHUDNHLLDC-DLBZAZTESA-N 2 1 334.508 3.022 20 0 EGADMP C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001036556532 1343552292 /nfs/dbraw/zinc/55/22/92/1343552292.db2.gz MQBAVNDUCJJGSI-PXNSSMCTSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001038241417 1344339577 /nfs/dbraw/zinc/33/95/77/1344339577.db2.gz TXLSYGLKBXMEPC-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001038241417 1344339580 /nfs/dbraw/zinc/33/95/80/1344339580.db2.gz TXLSYGLKBXMEPC-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001038241417 1344339584 /nfs/dbraw/zinc/33/95/84/1344339584.db2.gz TXLSYGLKBXMEPC-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCC2CCCCC2)C1 ZINC001038339365 1344387013 /nfs/dbraw/zinc/38/70/13/1344387013.db2.gz GRGFCZJVWZRBOC-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCC2CCCCC2)C1 ZINC001038339365 1344387017 /nfs/dbraw/zinc/38/70/17/1344387017.db2.gz GRGFCZJVWZRBOC-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCC2CCCCC2)C1 ZINC001038339365 1344387022 /nfs/dbraw/zinc/38/70/22/1344387022.db2.gz GRGFCZJVWZRBOC-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CC1CCCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038352446 1344392577 /nfs/dbraw/zinc/39/25/77/1344392577.db2.gz HKKVPUWSAORVDO-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CC1CCCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038352446 1344392580 /nfs/dbraw/zinc/39/25/80/1344392580.db2.gz HKKVPUWSAORVDO-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CC1CCCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038352446 1344392582 /nfs/dbraw/zinc/39/25/82/1344392582.db2.gz HKKVPUWSAORVDO-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038354599 1344396026 /nfs/dbraw/zinc/39/60/26/1344396026.db2.gz VMKDUSRAPJCPAY-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038354599 1344396030 /nfs/dbraw/zinc/39/60/30/1344396030.db2.gz VMKDUSRAPJCPAY-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038354599 1344396035 /nfs/dbraw/zinc/39/60/35/1344396035.db2.gz VMKDUSRAPJCPAY-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@H]2CNC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC001038518647 1344463442 /nfs/dbraw/zinc/46/34/42/1344463442.db2.gz FAZLXCJJZBMMKY-UZLBHIALSA-N 2 1 348.450 3.208 20 0 EGADMP C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CC[N@H+]2CCC(C)(C)C)cc1 ZINC001038702225 1344547960 /nfs/dbraw/zinc/54/79/60/1344547960.db2.gz DMSFQNNNWHRESB-LJQANCHMSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2[C@H](C)c2ccccc2)CC1 ZINC001038872469 1344621768 /nfs/dbraw/zinc/62/17/68/1344621768.db2.gz PEKHUKHJGVUVNB-XLIONFOSSA-N 2 1 343.515 3.059 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC(C)(C)C ZINC001038908413 1344646793 /nfs/dbraw/zinc/64/67/93/1344646793.db2.gz JYJQMKMQVKZXIL-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC(C)(C)C ZINC001038908413 1344646796 /nfs/dbraw/zinc/64/67/96/1344646796.db2.gz JYJQMKMQVKZXIL-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001038908413 1344646799 /nfs/dbraw/zinc/64/67/99/1344646799.db2.gz JYJQMKMQVKZXIL-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCC1 ZINC001038910171 1344647335 /nfs/dbraw/zinc/64/73/35/1344647335.db2.gz VASGKRMRBQXQKS-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCC1 ZINC001038910171 1344647339 /nfs/dbraw/zinc/64/73/39/1344647339.db2.gz VASGKRMRBQXQKS-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCC1 ZINC001038910171 1344647343 /nfs/dbraw/zinc/64/73/43/1344647343.db2.gz VASGKRMRBQXQKS-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001039051398 1344735738 /nfs/dbraw/zinc/73/57/38/1344735738.db2.gz VPXVUYIBSKOPPD-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001039051398 1344735742 /nfs/dbraw/zinc/73/57/42/1344735742.db2.gz VPXVUYIBSKOPPD-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001039051398 1344735747 /nfs/dbraw/zinc/73/57/47/1344735747.db2.gz VPXVUYIBSKOPPD-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC([C@H]2CC[N@H+](C(C)C)C2)CC1)[NH+]1CCCC1 ZINC001039176235 1344868680 /nfs/dbraw/zinc/86/86/80/1344868680.db2.gz QEIODDDHFSVSNR-PMACEKPBSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233342 1344953190 /nfs/dbraw/zinc/95/31/90/1344953190.db2.gz AYUPKKXGGNCOFE-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039237245 1344959903 /nfs/dbraw/zinc/95/99/03/1344959903.db2.gz GATXCWMGXDNUMT-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001039313603 1345009367 /nfs/dbraw/zinc/00/93/67/1345009367.db2.gz DSNSYSNLPUTFST-RAFMOHDBSA-N 2 1 343.515 3.201 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001039401930 1345048496 /nfs/dbraw/zinc/04/84/96/1345048496.db2.gz YHIKMTNGACPRHE-NXHRZFHOSA-N 2 1 340.471 3.059 20 0 EGADMP CC[N@@H+](CC1CC1)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001039486908 1345105491 /nfs/dbraw/zinc/10/54/91/1345105491.db2.gz VDADQLKIHWOPGO-UHFFFAOYSA-N 2 1 349.544 3.146 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCC(C)(C)C)CC[N@H+]1C ZINC001039876019 1345224280 /nfs/dbraw/zinc/22/42/80/1345224280.db2.gz KEDWLBHTSDRMDH-CADBVGFASA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001039876019 1345224282 /nfs/dbraw/zinc/22/42/82/1345224282.db2.gz KEDWLBHTSDRMDH-CADBVGFASA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001039876019 1345224284 /nfs/dbraw/zinc/22/42/84/1345224284.db2.gz KEDWLBHTSDRMDH-CADBVGFASA-N 2 1 349.563 3.218 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001039914427 1345245164 /nfs/dbraw/zinc/24/51/64/1345245164.db2.gz PRAOEGDOAVNJSZ-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001039914427 1345245165 /nfs/dbraw/zinc/24/51/65/1345245165.db2.gz PRAOEGDOAVNJSZ-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001039914427 1345245174 /nfs/dbraw/zinc/24/51/74/1345245174.db2.gz PRAOEGDOAVNJSZ-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CC1 ZINC001039937951 1345251877 /nfs/dbraw/zinc/25/18/77/1345251877.db2.gz JBFAOYATSRSAQC-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001039937951 1345251879 /nfs/dbraw/zinc/25/18/79/1345251879.db2.gz JBFAOYATSRSAQC-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001039937951 1345251882 /nfs/dbraw/zinc/25/18/82/1345251882.db2.gz JBFAOYATSRSAQC-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(C)(C)C)C2 ZINC001040396979 1345475564 /nfs/dbraw/zinc/47/55/64/1345475564.db2.gz XLWOKPKXYQNRLT-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC(C)(C)C)C2 ZINC001040396979 1345475566 /nfs/dbraw/zinc/47/55/66/1345475566.db2.gz XLWOKPKXYQNRLT-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC(C)(C)C)C2 ZINC001040396979 1345475569 /nfs/dbraw/zinc/47/55/69/1345475569.db2.gz XLWOKPKXYQNRLT-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430343 1345492848 /nfs/dbraw/zinc/49/28/48/1345492848.db2.gz AWWVHGCVVDTKBA-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@]3(C2)CCC[NH+](CCC(C)(C)C)C3)C1 ZINC001040493956 1345519674 /nfs/dbraw/zinc/51/96/74/1345519674.db2.gz RJVKEOJLPXOEBU-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@]3(C2)CCC[N@H+](CCC(C)(C)C)C3)C1 ZINC001040493956 1345519676 /nfs/dbraw/zinc/51/96/76/1345519676.db2.gz RJVKEOJLPXOEBU-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC(C)(C)C)C3)C1 ZINC001040493956 1345519677 /nfs/dbraw/zinc/51/96/77/1345519677.db2.gz RJVKEOJLPXOEBU-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545418 1345540126 /nfs/dbraw/zinc/54/01/26/1345540126.db2.gz PRDAJFSLSLKVJY-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC001040727544 1345571461 /nfs/dbraw/zinc/57/14/61/1345571461.db2.gz SLEBUIZCLKUHQW-IBGZPJMESA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)=CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001040948749 1345607805 /nfs/dbraw/zinc/60/78/05/1345607805.db2.gz YUWNTUJKELUJKI-KDURUIRLSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041288569 1345694537 /nfs/dbraw/zinc/69/45/37/1345694537.db2.gz YFMBZGOIFBFXBY-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041590169 1345784759 /nfs/dbraw/zinc/78/47/59/1345784759.db2.gz OMQCYZKVRNXPIL-FPOVZHCZSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041590169 1345784763 /nfs/dbraw/zinc/78/47/63/1345784763.db2.gz OMQCYZKVRNXPIL-FPOVZHCZSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001041590169 1345784768 /nfs/dbraw/zinc/78/47/68/1345784768.db2.gz OMQCYZKVRNXPIL-FPOVZHCZSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC001041851082 1345873070 /nfs/dbraw/zinc/87/30/70/1345873070.db2.gz ANAURRNQPXDPFY-FQEVSTJZSA-N 2 1 347.503 3.069 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042186114 1345973359 /nfs/dbraw/zinc/97/33/59/1345973359.db2.gz CZYNEAFHARWHNE-ZWKOTPCHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C2C[NH+](CC3CCCCCC3)C2)C1 ZINC001042910685 1346124687 /nfs/dbraw/zinc/12/46/87/1346124687.db2.gz DYACNJHXELANTL-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001042924343 1346125276 /nfs/dbraw/zinc/12/52/76/1346125276.db2.gz QCJOUXJJKCNULF-PKOBYXMFSA-N 2 1 343.515 3.153 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001042924343 1346125278 /nfs/dbraw/zinc/12/52/78/1346125278.db2.gz QCJOUXJJKCNULF-PKOBYXMFSA-N 2 1 343.515 3.153 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CCCC2CCCC2)C1 ZINC001044006848 1346232673 /nfs/dbraw/zinc/23/26/73/1346232673.db2.gz XBHPAZTYIDITAF-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CCCC2CCCC2)C1 ZINC001044006848 1346232675 /nfs/dbraw/zinc/23/26/75/1346232675.db2.gz XBHPAZTYIDITAF-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001044337271 1346301910 /nfs/dbraw/zinc/30/19/10/1346301910.db2.gz OFEYXUCYJUXONE-WOJBJXKFSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001044337271 1346301911 /nfs/dbraw/zinc/30/19/11/1346301911.db2.gz OFEYXUCYJUXONE-WOJBJXKFSA-N 2 1 343.515 3.155 20 0 EGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045068446 1346489374 /nfs/dbraw/zinc/48/93/74/1346489374.db2.gz LZRHODAFDCDKGM-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001045093164 1346493363 /nfs/dbraw/zinc/49/33/63/1346493363.db2.gz PDSONKBGAQOXBS-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CCC[C@H]2C[NH2+]CC2CCCCCC2)C1 ZINC001045201509 1346528994 /nfs/dbraw/zinc/52/89/94/1346528994.db2.gz CEXBESLBINLKNT-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045229907 1346536410 /nfs/dbraw/zinc/53/64/10/1346536410.db2.gz YXHHJMKDYGWENJ-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CCCC2CCCC2)CC1 ZINC001045385554 1346579963 /nfs/dbraw/zinc/57/99/63/1346579963.db2.gz SZVAYZDXWKEDMP-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC2(C)CC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC001045536240 1346620645 /nfs/dbraw/zinc/62/06/45/1346620645.db2.gz MZGKBVAYPRCBND-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001045732344 1346682030 /nfs/dbraw/zinc/68/20/30/1346682030.db2.gz SFYFACYZPVKEIJ-AABGKKOBSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1=CCCCC1 ZINC001045732344 1346682032 /nfs/dbraw/zinc/68/20/32/1346682032.db2.gz SFYFACYZPVKEIJ-AABGKKOBSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1=CCCCC1 ZINC001045732344 1346682036 /nfs/dbraw/zinc/68/20/36/1346682036.db2.gz SFYFACYZPVKEIJ-AABGKKOBSA-N 2 1 345.531 3.036 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001045803150 1346702534 /nfs/dbraw/zinc/70/25/34/1346702534.db2.gz LCCBCFWHLIVYAD-AABGKKOBSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001045803150 1346702537 /nfs/dbraw/zinc/70/25/37/1346702537.db2.gz LCCBCFWHLIVYAD-AABGKKOBSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001045803150 1346702539 /nfs/dbraw/zinc/70/25/39/1346702539.db2.gz LCCBCFWHLIVYAD-AABGKKOBSA-N 2 1 345.531 3.036 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001045806752 1346703953 /nfs/dbraw/zinc/70/39/53/1346703953.db2.gz RNOFUPYUBOWDSE-MOPGFXCFSA-N 2 1 347.547 3.115 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001045806752 1346703955 /nfs/dbraw/zinc/70/39/55/1346703955.db2.gz RNOFUPYUBOWDSE-MOPGFXCFSA-N 2 1 347.547 3.115 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001045806752 1346703956 /nfs/dbraw/zinc/70/39/56/1346703956.db2.gz RNOFUPYUBOWDSE-MOPGFXCFSA-N 2 1 347.547 3.115 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001045895860 1346736897 /nfs/dbraw/zinc/73/68/97/1346736897.db2.gz QZVOOXMIYGEISD-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001045895860 1346736898 /nfs/dbraw/zinc/73/68/98/1346736898.db2.gz QZVOOXMIYGEISD-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001045895860 1346736900 /nfs/dbraw/zinc/73/69/00/1346736900.db2.gz QZVOOXMIYGEISD-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045938545 1346774571 /nfs/dbraw/zinc/77/45/71/1346774571.db2.gz FBZJEJYZKXNQQC-SFHLNBCPSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001045938545 1346774572 /nfs/dbraw/zinc/77/45/72/1346774572.db2.gz FBZJEJYZKXNQQC-SFHLNBCPSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001045938545 1346774576 /nfs/dbraw/zinc/77/45/76/1346774576.db2.gz FBZJEJYZKXNQQC-SFHLNBCPSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CC(C)C)C2)C1 ZINC001045942056 1346777738 /nfs/dbraw/zinc/77/77/38/1346777738.db2.gz QQEDSLCNGBGSDU-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001045942056 1346777741 /nfs/dbraw/zinc/77/77/41/1346777741.db2.gz QQEDSLCNGBGSDU-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001045942056 1346777744 /nfs/dbraw/zinc/77/77/44/1346777744.db2.gz QQEDSLCNGBGSDU-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945748 1346781481 /nfs/dbraw/zinc/78/14/81/1346781481.db2.gz YTQMJFLKDVVKRM-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001045945748 1346781482 /nfs/dbraw/zinc/78/14/82/1346781482.db2.gz YTQMJFLKDVVKRM-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001045945748 1346781483 /nfs/dbraw/zinc/78/14/83/1346781483.db2.gz YTQMJFLKDVVKRM-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1)[NH+](C)C ZINC001045945277 1346781497 /nfs/dbraw/zinc/78/14/97/1346781497.db2.gz QRIDTWHWNYDMMS-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945751 1346781630 /nfs/dbraw/zinc/78/16/30/1346781630.db2.gz YTQMJFLKDVVKRM-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001045945751 1346781631 /nfs/dbraw/zinc/78/16/31/1346781631.db2.gz YTQMJFLKDVVKRM-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001045945751 1346781634 /nfs/dbraw/zinc/78/16/34/1346781634.db2.gz YTQMJFLKDVVKRM-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001045947647 1346783673 /nfs/dbraw/zinc/78/36/73/1346783673.db2.gz HHSIEUMXCJDAKK-OAQYLSRUSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001045947647 1346783674 /nfs/dbraw/zinc/78/36/74/1346783674.db2.gz HHSIEUMXCJDAKK-OAQYLSRUSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001045947647 1346783676 /nfs/dbraw/zinc/78/36/76/1346783676.db2.gz HHSIEUMXCJDAKK-OAQYLSRUSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CC)C2)C1 ZINC001045978717 1346814935 /nfs/dbraw/zinc/81/49/35/1346814935.db2.gz GNUTVBYASRZZCA-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CC)C2)C1 ZINC001045978717 1346814937 /nfs/dbraw/zinc/81/49/37/1346814937.db2.gz GNUTVBYASRZZCA-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CC)C2)C1 ZINC001045978717 1346814939 /nfs/dbraw/zinc/81/49/39/1346814939.db2.gz GNUTVBYASRZZCA-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCCC[C@@]2(CC[N@H+](C(C)C)C2)C1)[NH+]1CCCC1 ZINC001045986178 1346827657 /nfs/dbraw/zinc/82/76/57/1346827657.db2.gz JGFCMAKCODQKMS-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CCCC2CCCC2)C1 ZINC001046316023 1346932212 /nfs/dbraw/zinc/93/22/12/1346932212.db2.gz MHBXAOVNOBGYLP-TZIWHRDSSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CCCC2CCCC2)C1 ZINC001046316023 1346932213 /nfs/dbraw/zinc/93/22/13/1346932213.db2.gz MHBXAOVNOBGYLP-TZIWHRDSSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CCCC2CCCC2)C1 ZINC001046316023 1346932215 /nfs/dbraw/zinc/93/22/15/1346932215.db2.gz MHBXAOVNOBGYLP-TZIWHRDSSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046619002 1347040528 /nfs/dbraw/zinc/04/05/28/1347040528.db2.gz LMOSKCMGPWLXTA-UTKZUKDTSA-N 2 1 345.531 3.031 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CCCCC1)C2 ZINC001047200942 1347240930 /nfs/dbraw/zinc/24/09/30/1347240930.db2.gz IYMTYQAVYHOVFN-UFYCRDLUSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047244433 1347269956 /nfs/dbraw/zinc/26/99/56/1347269956.db2.gz RCIVEHHKUPAJFT-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001047256818 1347280222 /nfs/dbraw/zinc/28/02/22/1347280222.db2.gz CGSSQWWEFCBZDL-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001047266341 1347287532 /nfs/dbraw/zinc/28/75/32/1347287532.db2.gz WMLXTAXNOAWXSW-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCC1CCCC1 ZINC001049367686 1347807835 /nfs/dbraw/zinc/80/78/35/1347807835.db2.gz ASPXRFONBVQQIJ-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC1CCCC1 ZINC001049367686 1347807840 /nfs/dbraw/zinc/80/78/40/1347807840.db2.gz ASPXRFONBVQQIJ-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC1CCCC1 ZINC001049367686 1347807844 /nfs/dbraw/zinc/80/78/44/1347807844.db2.gz ASPXRFONBVQQIJ-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC001049462777 1347860716 /nfs/dbraw/zinc/86/07/16/1347860716.db2.gz CAFTWOQBPIAWJH-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCC1 ZINC001049462777 1347860721 /nfs/dbraw/zinc/86/07/21/1347860721.db2.gz CAFTWOQBPIAWJH-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCC1 ZINC001049462777 1347860722 /nfs/dbraw/zinc/86/07/22/1347860722.db2.gz CAFTWOQBPIAWJH-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC001049462776 1347860771 /nfs/dbraw/zinc/86/07/71/1347860771.db2.gz CAFTWOQBPIAWJH-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCC1 ZINC001049462776 1347860775 /nfs/dbraw/zinc/86/07/75/1347860775.db2.gz CAFTWOQBPIAWJH-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCC1 ZINC001049462776 1347860776 /nfs/dbraw/zinc/86/07/76/1347860776.db2.gz CAFTWOQBPIAWJH-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049478563 1347868563 /nfs/dbraw/zinc/86/85/63/1347868563.db2.gz PTZVZCFRXGFZQL-IPMKNSEASA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510316 1347884852 /nfs/dbraw/zinc/88/48/52/1347884852.db2.gz DWAKCIFVYLIZCN-DLBZAZTESA-N 2 1 349.544 3.145 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510316 1347884855 /nfs/dbraw/zinc/88/48/55/1347884855.db2.gz DWAKCIFVYLIZCN-DLBZAZTESA-N 2 1 349.544 3.145 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001049526704 1347892638 /nfs/dbraw/zinc/89/26/38/1347892638.db2.gz WJWJSLJAUPEDNN-XUVXKRRUSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049526704 1347892642 /nfs/dbraw/zinc/89/26/42/1347892642.db2.gz WJWJSLJAUPEDNN-XUVXKRRUSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049526704 1347892644 /nfs/dbraw/zinc/89/26/44/1347892644.db2.gz WJWJSLJAUPEDNN-XUVXKRRUSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCCC1)[NH+](C)C ZINC001049531591 1347894185 /nfs/dbraw/zinc/89/41/85/1347894185.db2.gz CJWWGGVJGBMRRH-UFYCRDLUSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049563808 1347911442 /nfs/dbraw/zinc/91/14/42/1347911442.db2.gz DTSXFRXOIZWMHO-XUVXKRRUSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001049563808 1347911444 /nfs/dbraw/zinc/91/14/44/1347911444.db2.gz DTSXFRXOIZWMHO-XUVXKRRUSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001049563808 1347911447 /nfs/dbraw/zinc/91/14/47/1347911447.db2.gz DTSXFRXOIZWMHO-XUVXKRRUSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049595028 1347928238 /nfs/dbraw/zinc/92/82/38/1347928238.db2.gz RHASPETWKPIBAM-KFKAGJAMSA-N 2 1 340.471 3.059 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049672393 1347966158 /nfs/dbraw/zinc/96/61/58/1347966158.db2.gz SJJVMXAGYONRMI-LEAZDLGRSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049672393 1347966159 /nfs/dbraw/zinc/96/61/59/1347966159.db2.gz SJJVMXAGYONRMI-LEAZDLGRSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049672393 1347966161 /nfs/dbraw/zinc/96/61/61/1347966161.db2.gz SJJVMXAGYONRMI-LEAZDLGRSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049719675 1347990128 /nfs/dbraw/zinc/99/01/28/1347990128.db2.gz RYUQRRRNEFHJSK-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049719675 1347990129 /nfs/dbraw/zinc/99/01/29/1347990129.db2.gz RYUQRRRNEFHJSK-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049719675 1347990130 /nfs/dbraw/zinc/99/01/30/1347990130.db2.gz RYUQRRRNEFHJSK-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001049726134 1347991079 /nfs/dbraw/zinc/99/10/79/1347991079.db2.gz CPIBONFWKGIVEC-ZCNNSNEGSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049764454 1348009099 /nfs/dbraw/zinc/00/90/99/1348009099.db2.gz CZWVOTFPIIJJEJ-XUVXKRRUSA-N 2 1 347.547 3.282 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049768394 1348011478 /nfs/dbraw/zinc/01/14/78/1348011478.db2.gz WCRSKUATQBTIRQ-QRVBRYPASA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001049768394 1348011481 /nfs/dbraw/zinc/01/14/81/1348011481.db2.gz WCRSKUATQBTIRQ-QRVBRYPASA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001049768394 1348011483 /nfs/dbraw/zinc/01/14/83/1348011483.db2.gz WCRSKUATQBTIRQ-QRVBRYPASA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049789497 1348023431 /nfs/dbraw/zinc/02/34/31/1348023431.db2.gz AJPVNCUBPKWQIW-PMACEKPBSA-N 2 1 343.515 3.083 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCCCC1 ZINC001049892796 1348096340 /nfs/dbraw/zinc/09/63/40/1348096340.db2.gz AHIBCXHTUCKTLU-PMACEKPBSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049919385 1348112287 /nfs/dbraw/zinc/11/22/87/1348112287.db2.gz OSNPHRQPCMTGGF-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]([NH2+]CC1CCCC1)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001050257503 1348220750 /nfs/dbraw/zinc/22/07/50/1348220750.db2.gz IYMQIRPVOUELPE-OXQOHEQNSA-N 2 1 343.515 3.238 20 0 EGADMP C[C@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001050265226 1348222777 /nfs/dbraw/zinc/22/27/77/1348222777.db2.gz LMKNYQLLYYYOHB-JXFKEZNVSA-N 2 1 343.515 3.238 20 0 EGADMP CC(C)(C)CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001050661332 1348320989 /nfs/dbraw/zinc/32/09/89/1348320989.db2.gz SHTLFDPBTGCFIS-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052369447 1348534218 /nfs/dbraw/zinc/53/42/18/1348534218.db2.gz RCTAUJUXVLELEG-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC001052369447 1348534221 /nfs/dbraw/zinc/53/42/21/1348534221.db2.gz RCTAUJUXVLELEG-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001052369447 1348534222 /nfs/dbraw/zinc/53/42/22/1348534222.db2.gz RCTAUJUXVLELEG-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001052377119 1348534994 /nfs/dbraw/zinc/53/49/94/1348534994.db2.gz NJRWMDLUJXYNML-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001052377119 1348534995 /nfs/dbraw/zinc/53/49/95/1348534995.db2.gz NJRWMDLUJXYNML-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001052377119 1348534997 /nfs/dbraw/zinc/53/49/97/1348534997.db2.gz NJRWMDLUJXYNML-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052447029 1348544015 /nfs/dbraw/zinc/54/40/15/1348544015.db2.gz VVIOPJYBHKKEHO-OALUTQOASA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447029 1348544016 /nfs/dbraw/zinc/54/40/16/1348544016.db2.gz VVIOPJYBHKKEHO-OALUTQOASA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447029 1348544018 /nfs/dbraw/zinc/54/40/18/1348544018.db2.gz VVIOPJYBHKKEHO-OALUTQOASA-N 2 1 335.536 3.186 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052448125 1348544476 /nfs/dbraw/zinc/54/44/76/1348544476.db2.gz VBSFUQWGIFZIOZ-QZTJIDSGSA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052448125 1348544478 /nfs/dbraw/zinc/54/44/78/1348544478.db2.gz VBSFUQWGIFZIOZ-QZTJIDSGSA-N 2 1 346.519 3.167 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC001052499533 1348560198 /nfs/dbraw/zinc/56/01/98/1348560198.db2.gz XBYCQKBYZKNZHQ-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC001052499533 1348560200 /nfs/dbraw/zinc/56/02/00/1348560200.db2.gz XBYCQKBYZKNZHQ-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001052499533 1348560202 /nfs/dbraw/zinc/56/02/02/1348560202.db2.gz XBYCQKBYZKNZHQ-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2=CCCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001052526958 1348566731 /nfs/dbraw/zinc/56/67/31/1348566731.db2.gz NVRZGTXKUGWHCI-IBGZPJMESA-N 2 1 345.531 3.086 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052561523 1348579971 /nfs/dbraw/zinc/57/99/71/1348579971.db2.gz AMGHKJRVVOETTL-GOSISDBHSA-N 2 1 342.487 3.355 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CC3CCCCCC3)CC2)C1 ZINC001052712895 1348644584 /nfs/dbraw/zinc/64/45/84/1348644584.db2.gz PKLHFIMIDFGZAE-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CC3CCCCCC3)CC2)C1 ZINC001052712895 1348644586 /nfs/dbraw/zinc/64/45/86/1348644586.db2.gz PKLHFIMIDFGZAE-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CC3CCCCCC3)CC2)C1 ZINC001052712895 1348644589 /nfs/dbraw/zinc/64/45/89/1348644589.db2.gz PKLHFIMIDFGZAE-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001052711894 1348645217 /nfs/dbraw/zinc/64/52/17/1348645217.db2.gz ATNZUSPKBYAWRO-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001052711894 1348645219 /nfs/dbraw/zinc/64/52/19/1348645219.db2.gz ATNZUSPKBYAWRO-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001052711894 1348645220 /nfs/dbraw/zinc/64/52/20/1348645220.db2.gz ATNZUSPKBYAWRO-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052757005 1348666169 /nfs/dbraw/zinc/66/61/69/1348666169.db2.gz KMGUNDZOGPCSDQ-DLBZAZTESA-N 2 1 334.508 3.023 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052757005 1348666173 /nfs/dbraw/zinc/66/61/73/1348666173.db2.gz KMGUNDZOGPCSDQ-DLBZAZTESA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764987 1348670109 /nfs/dbraw/zinc/67/01/09/1348670109.db2.gz UTLMMOPGDSCIOA-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC2)CC1 ZINC001052859459 1348705243 /nfs/dbraw/zinc/70/52/43/1348705243.db2.gz MDMOIZZVPWLNII-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC2)CC1 ZINC001052859459 1348705245 /nfs/dbraw/zinc/70/52/45/1348705245.db2.gz MDMOIZZVPWLNII-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC2)CC1 ZINC001052859459 1348705248 /nfs/dbraw/zinc/70/52/48/1348705248.db2.gz MDMOIZZVPWLNII-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC1(C)CCC(C[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001052938173 1348756764 /nfs/dbraw/zinc/75/67/64/1348756764.db2.gz SKEOVXJFYMUWJA-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052954964 1348768238 /nfs/dbraw/zinc/76/82/38/1348768238.db2.gz XKDUMRMMPJVQSY-MOPGFXCFSA-N 2 1 349.494 3.081 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052955406 1348769227 /nfs/dbraw/zinc/76/92/27/1348769227.db2.gz FMZMCWWMKAKFTI-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001052955406 1348769230 /nfs/dbraw/zinc/76/92/30/1348769230.db2.gz FMZMCWWMKAKFTI-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001052955406 1348769234 /nfs/dbraw/zinc/76/92/34/1348769234.db2.gz FMZMCWWMKAKFTI-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C(C)C)CC2)o1 ZINC001052968093 1348778811 /nfs/dbraw/zinc/77/88/11/1348778811.db2.gz UCHATFIZTBDDLT-MRXNPFEDSA-N 2 1 335.492 3.114 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053055063 1348862967 /nfs/dbraw/zinc/86/29/67/1348862967.db2.gz VHGYGUKEKMNADB-UXHICEINSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087668 1348911951 /nfs/dbraw/zinc/91/19/51/1348911951.db2.gz MWSINEPBPBXSNQ-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053087668 1348911954 /nfs/dbraw/zinc/91/19/54/1348911954.db2.gz MWSINEPBPBXSNQ-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053087668 1348911957 /nfs/dbraw/zinc/91/19/57/1348911957.db2.gz MWSINEPBPBXSNQ-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1)[NH+](C)C ZINC001054154150 1349156964 /nfs/dbraw/zinc/15/69/64/1349156964.db2.gz QEGVNXCLEDXCHP-XLIONFOSSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001054244576 1349238304 /nfs/dbraw/zinc/23/83/04/1349238304.db2.gz HHAMBSMXUJLYMZ-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001054244576 1349238307 /nfs/dbraw/zinc/23/83/07/1349238307.db2.gz HHAMBSMXUJLYMZ-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCC(C)C)C2)C1 ZINC001054244576 1349238311 /nfs/dbraw/zinc/23/83/11/1349238311.db2.gz HHAMBSMXUJLYMZ-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)cc2C1 ZINC001054284755 1349287531 /nfs/dbraw/zinc/28/75/31/1349287531.db2.gz GRYRTWDFYCIOTQ-FQEVSTJZSA-N 2 1 343.515 3.291 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)cc2C1 ZINC001054284755 1349287533 /nfs/dbraw/zinc/28/75/33/1349287533.db2.gz GRYRTWDFYCIOTQ-FQEVSTJZSA-N 2 1 343.515 3.291 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3C(C)C)cc2C1 ZINC001054284755 1349287535 /nfs/dbraw/zinc/28/75/35/1349287535.db2.gz GRYRTWDFYCIOTQ-FQEVSTJZSA-N 2 1 343.515 3.291 20 0 EGADMP CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(C[NH+](C)C)cc3)cc2C1 ZINC001054285720 1349287737 /nfs/dbraw/zinc/28/77/37/1349287737.db2.gz WIYFHHBIHSTKCP-UHFFFAOYSA-N 2 1 337.467 3.014 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)cc2C1 ZINC001054290010 1349294647 /nfs/dbraw/zinc/29/46/47/1349294647.db2.gz YNVIYHBTYZSVHY-XLIONFOSSA-N 2 1 343.515 3.149 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001054296808 1349302030 /nfs/dbraw/zinc/30/20/30/1349302030.db2.gz PRNUPINADOVBGF-QWFCFKBJSA-N 2 1 343.515 3.039 20 0 EGADMP Cc1cc(Br)ncc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001232317434 1376439845 /nfs/dbraw/zinc/43/98/45/1376439845.db2.gz QNNIJXUWYRCDEU-UHFFFAOYSA-N 2 1 338.293 3.070 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001080318468 1357572601 /nfs/dbraw/zinc/57/26/01/1357572601.db2.gz STEHAXZBBWGVMZ-AHRSYUTCSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1C[NH+](CCC2CC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001080318468 1357572606 /nfs/dbraw/zinc/57/26/06/1357572606.db2.gz STEHAXZBBWGVMZ-AHRSYUTCSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1C[NH+](CCC2CC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001080318468 1357572611 /nfs/dbraw/zinc/57/26/11/1357572611.db2.gz STEHAXZBBWGVMZ-AHRSYUTCSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2C)CC1 ZINC001080704676 1357724016 /nfs/dbraw/zinc/72/40/16/1357724016.db2.gz FMCUYCYDYFJCKI-YLJYHZDGSA-N 2 1 347.547 3.044 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001071646444 1354824352 /nfs/dbraw/zinc/82/43/52/1354824352.db2.gz YLKVCPILPVMLOH-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CCC1CCCC1 ZINC001071645211 1354824505 /nfs/dbraw/zinc/82/45/05/1354824505.db2.gz HSSLECAZZDOZIR-HKUYNNGSSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@H+]1CCC(C)(C)C ZINC001071689197 1354851969 /nfs/dbraw/zinc/85/19/69/1354851969.db2.gz HLZWMAGVTUVIEL-RDJZCZTQSA-N 2 1 342.487 3.353 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001071688969 1354852311 /nfs/dbraw/zinc/85/23/11/1354852311.db2.gz CGGQFXMVHWXXIF-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001071688969 1354852316 /nfs/dbraw/zinc/85/23/16/1354852316.db2.gz CGGQFXMVHWXXIF-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001071688967 1354852888 /nfs/dbraw/zinc/85/28/88/1354852888.db2.gz CGGQFXMVHWXXIF-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001071688967 1354852895 /nfs/dbraw/zinc/85/28/95/1354852895.db2.gz CGGQFXMVHWXXIF-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP CC(C)C[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001071701667 1354860403 /nfs/dbraw/zinc/86/04/03/1354860403.db2.gz MCTBZGGUIHDFON-HKUYNNGSSA-N 2 1 345.531 3.029 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CC1CC(C)(C)C1 ZINC001071735084 1354887232 /nfs/dbraw/zinc/88/72/32/1354887232.db2.gz GBYJPHIXJXNZDI-FUHWJXTLSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[N@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001071827839 1354964877 /nfs/dbraw/zinc/96/48/77/1354964877.db2.gz FCUNEJCSMRAGBD-FXAWDEMLSA-N 2 1 345.531 3.029 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C)[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001071919873 1355024980 /nfs/dbraw/zinc/02/49/80/1355024980.db2.gz JLPVINQVDQBDQM-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCCC3CCC3)C2)CC1 ZINC001071920878 1355025920 /nfs/dbraw/zinc/02/59/20/1355025920.db2.gz YRFHVYOXNBJKGY-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071953775 1355039555 /nfs/dbraw/zinc/03/95/55/1355039555.db2.gz FMQOINZQACMDJP-HKUYNNGSSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071953881 1355040241 /nfs/dbraw/zinc/04/02/41/1355040241.db2.gz GUDVAEBNOTVTGR-MJGOQNOKSA-N 2 1 335.536 3.042 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CCCC1CCCC1 ZINC001072081381 1355119199 /nfs/dbraw/zinc/11/91/99/1355119199.db2.gz KRKXHMQOSMOKMF-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001072084408 1355119927 /nfs/dbraw/zinc/11/99/27/1355119927.db2.gz BPPVZTVCFDCTMZ-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001072084408 1355119929 /nfs/dbraw/zinc/11/99/29/1355119929.db2.gz BPPVZTVCFDCTMZ-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@H+]1CCC1CC1 ZINC001072096219 1355127587 /nfs/dbraw/zinc/12/75/87/1355127587.db2.gz VPTBSSIULBRKTB-JXFKEZNVSA-N 2 1 343.515 3.131 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2 ZINC001072813393 1355449063 /nfs/dbraw/zinc/44/90/63/1355449063.db2.gz QIOWENWHBLCOFI-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)C2 ZINC001072813393 1355449062 /nfs/dbraw/zinc/44/90/62/1355449062.db2.gz QIOWENWHBLCOFI-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2 ZINC001072813393 1355449065 /nfs/dbraw/zinc/44/90/65/1355449065.db2.gz QIOWENWHBLCOFI-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CC2)cc1 ZINC001074081103 1356072632 /nfs/dbraw/zinc/07/26/32/1356072632.db2.gz BGYRDBSEOGHVEQ-HXUWFJFHSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@@H]1C ZINC001074686207 1356224641 /nfs/dbraw/zinc/22/46/41/1356224641.db2.gz YXUIEVNOGKAARO-SXLOBPIMSA-N 2 1 343.515 3.029 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001074811798 1356250355 /nfs/dbraw/zinc/25/03/55/1356250355.db2.gz GKQDSVKESBFONY-UMGGQSCQSA-N 2 1 343.515 3.119 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CC3CCC(C)(C)CC3)[C@@H]2C)C1 ZINC001074878369 1356276696 /nfs/dbraw/zinc/27/66/96/1356276696.db2.gz PPOGZTFFDUKYMI-LNLFQRSKSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461306 1356395341 /nfs/dbraw/zinc/39/53/41/1356395341.db2.gz CCOIVNAMNFTYQB-UYAOXDASSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461306 1356395344 /nfs/dbraw/zinc/39/53/44/1356395344.db2.gz CCOIVNAMNFTYQB-UYAOXDASSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461306 1356395345 /nfs/dbraw/zinc/39/53/45/1356395345.db2.gz CCOIVNAMNFTYQB-UYAOXDASSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076324032 1356549544 /nfs/dbraw/zinc/54/95/44/1356549544.db2.gz KQPDBYVQKFJYLM-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099106965 1363626036 /nfs/dbraw/zinc/62/60/36/1363626036.db2.gz UIIIMWNPRIXDLU-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC2CCCC2)CCC1 ZINC001099107171 1363626437 /nfs/dbraw/zinc/62/64/37/1363626437.db2.gz WPJFBYHUQOGINQ-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001081027398 1357786163 /nfs/dbraw/zinc/78/61/63/1357786163.db2.gz ONGMBUNMDCFOAO-LZLYRXPVSA-N 2 1 349.519 3.218 20 0 EGADMP CC1CC(C[NH2+][C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]2C)C1 ZINC001082608398 1358065960 /nfs/dbraw/zinc/06/59/60/1358065960.db2.gz VKDIVKNDLJUBNV-MPLMCADHSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H](C)c2ccccc2)C1 ZINC001183517172 1387316068 /nfs/dbraw/zinc/31/60/68/1387316068.db2.gz SRVIJOHBPZLFHL-DBXWQHBBSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCC3CCCCC3)C[C@H]21)[NH+](C)C ZINC001084429029 1358211622 /nfs/dbraw/zinc/21/16/22/1358211622.db2.gz ICAFSEWVBMWSKV-AQNXPRMDSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCC3CCCCC3)C[C@H]21)[NH+](C)C ZINC001084639182 1358265363 /nfs/dbraw/zinc/26/53/63/1358265363.db2.gz ICAFSEWVBMWSKV-VAMGGRTRSA-N 2 1 349.563 3.076 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC001085100908 1358390746 /nfs/dbraw/zinc/39/07/46/1358390746.db2.gz KAYHZFVTYMBMCW-QYZOEREBSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC(C)(C)C)[C@H]2C1 ZINC001085100908 1358390754 /nfs/dbraw/zinc/39/07/54/1358390754.db2.gz KAYHZFVTYMBMCW-QYZOEREBSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC(C)(C)C)[C@H]2C1 ZINC001085100908 1358390764 /nfs/dbraw/zinc/39/07/64/1358390764.db2.gz KAYHZFVTYMBMCW-QYZOEREBSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001085274938 1358449072 /nfs/dbraw/zinc/44/90/72/1358449072.db2.gz GMHMKXWRHGVPJU-RTBURBONSA-N 2 1 346.519 3.179 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001085332235 1358470341 /nfs/dbraw/zinc/47/03/41/1358470341.db2.gz POYUYLSFJLKFNU-MISYRCLQSA-N 2 1 349.563 3.458 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CC1CCCC1)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085639387 1358652364 /nfs/dbraw/zinc/65/23/64/1358652364.db2.gz NRTBXGZBMAKAHM-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639387 1358652370 /nfs/dbraw/zinc/65/23/70/1358652370.db2.gz NRTBXGZBMAKAHM-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085639387 1358652375 /nfs/dbraw/zinc/65/23/75/1358652375.db2.gz NRTBXGZBMAKAHM-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CC1CCCC1)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085639386 1358652749 /nfs/dbraw/zinc/65/27/49/1358652749.db2.gz NRTBXGZBMAKAHM-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@H]1CC[NH+]1CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639386 1358652751 /nfs/dbraw/zinc/65/27/51/1358652751.db2.gz NRTBXGZBMAKAHM-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@H]1CC[NH+]1CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085639386 1358652754 /nfs/dbraw/zinc/65/27/54/1358652754.db2.gz NRTBXGZBMAKAHM-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCC(C)(C)C)C1 ZINC001085778786 1358753804 /nfs/dbraw/zinc/75/38/04/1358753804.db2.gz HJDCFWFYMXHVQB-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC(C)(C)C)C1 ZINC001085778786 1358753805 /nfs/dbraw/zinc/75/38/05/1358753805.db2.gz HJDCFWFYMXHVQB-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCC(C)(C)C)C1 ZINC001085778786 1358753810 /nfs/dbraw/zinc/75/38/10/1358753810.db2.gz HJDCFWFYMXHVQB-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782249 1358757635 /nfs/dbraw/zinc/75/76/35/1358757635.db2.gz PXKIOPPZIPGZRB-OALUTQOASA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782249 1358757639 /nfs/dbraw/zinc/75/76/39/1358757639.db2.gz PXKIOPPZIPGZRB-OALUTQOASA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782249 1358757644 /nfs/dbraw/zinc/75/76/44/1358757644.db2.gz PXKIOPPZIPGZRB-OALUTQOASA-N 2 1 335.536 3.116 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001085987737 1358939319 /nfs/dbraw/zinc/93/93/19/1358939319.db2.gz KQAIITWYUSVCMG-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001085987737 1358939323 /nfs/dbraw/zinc/93/93/23/1358939323.db2.gz KQAIITWYUSVCMG-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001085987737 1358939325 /nfs/dbraw/zinc/93/93/25/1358939325.db2.gz KQAIITWYUSVCMG-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086084330 1358992226 /nfs/dbraw/zinc/99/22/26/1358992226.db2.gz MGUPTSHFVQADAQ-ZCFHBRKKSA-N 2 1 349.563 3.170 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCCCC3)C2)CC[N@H+]1C ZINC001086091272 1358993355 /nfs/dbraw/zinc/99/33/55/1358993355.db2.gz QJCSFTXFEURMCW-ZGXWSNOMSA-N 2 1 349.563 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086883157 1359220367 /nfs/dbraw/zinc/22/03/67/1359220367.db2.gz RTPSTANVDARKHG-ZCNNSNEGSA-N 2 1 349.563 3.316 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086921512 1359248302 /nfs/dbraw/zinc/24/83/02/1359248302.db2.gz RJJPEPTWIQPVLH-RBUKOAKNSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939155 1359261595 /nfs/dbraw/zinc/26/15/95/1359261595.db2.gz JORLQAPYHWSXOV-FHWLQOOXSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC001184098943 1387392527 /nfs/dbraw/zinc/39/25/27/1387392527.db2.gz KLZYMZPNZWMSKN-AZUAARDMSA-N 2 1 343.515 3.156 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CCC2)C1 ZINC001087204057 1359320842 /nfs/dbraw/zinc/32/08/42/1359320842.db2.gz GMMAXLKKUQTTTJ-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC001184098943 1387392532 /nfs/dbraw/zinc/39/25/32/1387392532.db2.gz KLZYMZPNZWMSKN-AZUAARDMSA-N 2 1 343.515 3.156 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@H+]1CC1CCCCCC1 ZINC001087725617 1359612768 /nfs/dbraw/zinc/61/27/68/1359612768.db2.gz WTEFDRCERIOJCY-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC[NH+]1CC1CCCCCC1 ZINC001087725617 1359612771 /nfs/dbraw/zinc/61/27/71/1359612771.db2.gz WTEFDRCERIOJCY-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC[NH+]1CC1CCCCCC1 ZINC001087725617 1359612773 /nfs/dbraw/zinc/61/27/73/1359612773.db2.gz WTEFDRCERIOJCY-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@H+]1CCC1=CCCCC1 ZINC001087726829 1359613595 /nfs/dbraw/zinc/61/35/95/1359613595.db2.gz UIYWLYBVSUFVNN-YZGWKJHDSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC[NH+]1CCC1=CCCCC1 ZINC001087726829 1359613598 /nfs/dbraw/zinc/61/35/98/1359613598.db2.gz UIYWLYBVSUFVNN-YZGWKJHDSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC[NH+]1CCC1=CCCCC1 ZINC001087726829 1359613600 /nfs/dbraw/zinc/61/36/00/1359613600.db2.gz UIYWLYBVSUFVNN-YZGWKJHDSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)[C@@H]1CC ZINC001087791899 1359648057 /nfs/dbraw/zinc/64/80/57/1359648057.db2.gz BVHDUWLIBFRMLS-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1CC ZINC001087791899 1359648060 /nfs/dbraw/zinc/64/80/60/1359648060.db2.gz BVHDUWLIBFRMLS-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)[C@@H]1CC ZINC001087791899 1359648061 /nfs/dbraw/zinc/64/80/61/1359648061.db2.gz BVHDUWLIBFRMLS-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[N@@H+]1CCC(C)(C)C ZINC001087799373 1359651180 /nfs/dbraw/zinc/65/11/80/1359651180.db2.gz QVHQNYUUDNNSSV-DLBZAZTESA-N 2 1 346.519 3.167 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[N@H+]1CCC(C)(C)C ZINC001087799373 1359651188 /nfs/dbraw/zinc/65/11/88/1359651188.db2.gz QVHQNYUUDNNSSV-DLBZAZTESA-N 2 1 346.519 3.167 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1C/C=C/Cl ZINC001087838570 1359672426 /nfs/dbraw/zinc/67/24/26/1359672426.db2.gz LKJNNTACVNDIGB-FWOBMTDDSA-N 2 1 349.906 3.083 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1CC ZINC001087840938 1359675199 /nfs/dbraw/zinc/67/51/99/1359675199.db2.gz VOQQCKVXNIYLQK-RBUKOAKNSA-N 2 1 331.504 3.131 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001088280298 1359825322 /nfs/dbraw/zinc/82/53/22/1359825322.db2.gz NNPDHTGYQNLETM-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001088280730 1359825489 /nfs/dbraw/zinc/82/54/89/1359825489.db2.gz YOVPWRKCNJSZIR-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001088382510 1359865251 /nfs/dbraw/zinc/86/52/51/1359865251.db2.gz CZCYEDDPZWLWNY-ICSRJNTNSA-N 2 1 347.547 3.332 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCCCC[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001088413602 1359884694 /nfs/dbraw/zinc/88/46/94/1359884694.db2.gz JXWXTUWVPHQXEU-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2csc(C)c2)[C@@H]1C ZINC001088605469 1359988984 /nfs/dbraw/zinc/98/89/84/1359988984.db2.gz UCJGCNZFRGOKLV-BPQIPLTHSA-N 2 1 349.544 3.010 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2csc(C)c2)[C@@H]1C ZINC001088605469 1359988987 /nfs/dbraw/zinc/98/89/87/1359988987.db2.gz UCJGCNZFRGOKLV-BPQIPLTHSA-N 2 1 349.544 3.010 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2csc(C)c2)[C@@H]1C ZINC001088605469 1359988989 /nfs/dbraw/zinc/98/89/89/1359988989.db2.gz UCJGCNZFRGOKLV-BPQIPLTHSA-N 2 1 349.544 3.010 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1CC1CCCCC1 ZINC001088749354 1360030215 /nfs/dbraw/zinc/03/02/15/1360030215.db2.gz XADZPBZLAMFRBC-BEFAXECRSA-N 2 1 340.471 3.107 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC[N@H+]1CCC1CCCC1 ZINC001088768903 1360036813 /nfs/dbraw/zinc/03/68/13/1360036813.db2.gz JMWMNLLPELHJLZ-LSTHTHJFSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001088835572 1360070167 /nfs/dbraw/zinc/07/01/67/1360070167.db2.gz CYIIQPFFCLUSRY-APWZRJJASA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1CC1CCCC1 ZINC001089060519 1360152862 /nfs/dbraw/zinc/15/28/62/1360152862.db2.gz QPZOKCPLUQTODM-UZLBHIALSA-N 2 1 343.515 3.131 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001089236843 1360275444 /nfs/dbraw/zinc/27/54/44/1360275444.db2.gz YFCOQAFVULNPGE-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334517 1360348365 /nfs/dbraw/zinc/34/83/65/1360348365.db2.gz IJNOFRIONIBDEU-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089334517 1360348369 /nfs/dbraw/zinc/34/83/69/1360348369.db2.gz IJNOFRIONIBDEU-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089334517 1360348372 /nfs/dbraw/zinc/34/83/72/1360348372.db2.gz IJNOFRIONIBDEU-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382503 1360384100 /nfs/dbraw/zinc/38/41/00/1360384100.db2.gz RTHNTJKKBFAZBO-ZWKOTPCHSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089382503 1360384105 /nfs/dbraw/zinc/38/41/05/1360384105.db2.gz RTHNTJKKBFAZBO-ZWKOTPCHSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089382503 1360384108 /nfs/dbraw/zinc/38/41/08/1360384108.db2.gz RTHNTJKKBFAZBO-ZWKOTPCHSA-N 2 1 337.552 3.122 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(C)C)CC(C)(C)C1 ZINC001089399967 1360399809 /nfs/dbraw/zinc/39/98/09/1360399809.db2.gz AEGFWLYMOJFYDV-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(C)C)CC(C)(C)C1 ZINC001089399967 1360399812 /nfs/dbraw/zinc/39/98/12/1360399812.db2.gz AEGFWLYMOJFYDV-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(C)C)CC(C)(C)C1 ZINC001089399967 1360399815 /nfs/dbraw/zinc/39/98/15/1360399815.db2.gz AEGFWLYMOJFYDV-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430817 1360422974 /nfs/dbraw/zinc/42/29/74/1360422974.db2.gz USZVNINWWSEDHR-MSOLQXFVSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](C(C)C)CC(C)(C)C2)C1 ZINC001089473124 1360456438 /nfs/dbraw/zinc/45/64/38/1360456438.db2.gz SOCCBAPMVUZBCR-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](C(C)C)CC(C)(C)C2)C1 ZINC001089473124 1360456441 /nfs/dbraw/zinc/45/64/41/1360456441.db2.gz SOCCBAPMVUZBCR-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](C(C)C)CC(C)(C)C2)C1 ZINC001089473124 1360456442 /nfs/dbraw/zinc/45/64/42/1360456442.db2.gz SOCCBAPMVUZBCR-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089505423 1360478536 /nfs/dbraw/zinc/47/85/36/1360478536.db2.gz HJYOJSLNQPXNOS-QGZVFWFLSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089505423 1360478538 /nfs/dbraw/zinc/47/85/38/1360478538.db2.gz HJYOJSLNQPXNOS-QGZVFWFLSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001089509055 1360480906 /nfs/dbraw/zinc/48/09/06/1360480906.db2.gz DIJMEVOYCFRENP-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089639391 1360552943 /nfs/dbraw/zinc/55/29/43/1360552943.db2.gz VJEVAXRSFQZVNK-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001089639391 1360552944 /nfs/dbraw/zinc/55/29/44/1360552944.db2.gz VJEVAXRSFQZVNK-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCC1 ZINC001089639391 1360552945 /nfs/dbraw/zinc/55/29/45/1360552945.db2.gz VJEVAXRSFQZVNK-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC(C)C ZINC001089647054 1360560005 /nfs/dbraw/zinc/56/00/05/1360560005.db2.gz RTCYWPMFYRZXJZ-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(C)C ZINC001089647054 1360560006 /nfs/dbraw/zinc/56/00/06/1360560006.db2.gz RTCYWPMFYRZXJZ-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(C)C ZINC001089647054 1360560007 /nfs/dbraw/zinc/56/00/07/1360560007.db2.gz RTCYWPMFYRZXJZ-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CCCC3CCCC3)C2)C1 ZINC001323873534 1387485237 /nfs/dbraw/zinc/48/52/37/1387485237.db2.gz PGGBGTFCPXQYQG-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@]2(CC[N@H+](CCCC3CCCC3)C2)C1 ZINC001323873534 1387485239 /nfs/dbraw/zinc/48/52/39/1387485239.db2.gz PGGBGTFCPXQYQG-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@]2(CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001323873534 1387485240 /nfs/dbraw/zinc/48/52/40/1387485240.db2.gz PGGBGTFCPXQYQG-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001092658330 1361434109 /nfs/dbraw/zinc/43/41/09/1361434109.db2.gz PNMPMHQLHIXZAW-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C ZINC001092658330 1361434112 /nfs/dbraw/zinc/43/41/12/1361434112.db2.gz PNMPMHQLHIXZAW-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C ZINC001092658330 1361434114 /nfs/dbraw/zinc/43/41/14/1361434114.db2.gz PNMPMHQLHIXZAW-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001092658522 1361434308 /nfs/dbraw/zinc/43/43/08/1361434308.db2.gz YKNOXAUSGOCRLU-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001092658522 1361434311 /nfs/dbraw/zinc/43/43/11/1361434311.db2.gz YKNOXAUSGOCRLU-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C ZINC001092658522 1361434312 /nfs/dbraw/zinc/43/43/12/1361434312.db2.gz YKNOXAUSGOCRLU-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001094458530 1361809603 /nfs/dbraw/zinc/80/96/03/1361809603.db2.gz MOPCYTLIVOIZFG-QWFCFKBJSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001324083670 1387534663 /nfs/dbraw/zinc/53/46/63/1387534663.db2.gz XIQBEQPWLGHHBN-IEBWSBKVSA-N 2 1 345.531 3.134 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CC1)CC2 ZINC001094584727 1361871016 /nfs/dbraw/zinc/87/10/16/1361871016.db2.gz DYMDFUWPBYGQPD-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2 ZINC001094584727 1361871018 /nfs/dbraw/zinc/87/10/18/1361871018.db2.gz DYMDFUWPBYGQPD-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2 ZINC001094584727 1361871023 /nfs/dbraw/zinc/87/10/23/1361871023.db2.gz DYMDFUWPBYGQPD-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC001324102424 1387542992 /nfs/dbraw/zinc/54/29/92/1387542992.db2.gz WZCDSZQFBBSVFV-QXAKKESOSA-N 2 1 331.504 3.059 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC001184811469 1387543821 /nfs/dbraw/zinc/54/38/21/1387543821.db2.gz XAURLVYJMIJXKE-WMZOPIPTSA-N 2 1 348.535 3.092 20 0 EGADMP CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001094950668 1361958019 /nfs/dbraw/zinc/95/80/19/1361958019.db2.gz NHZWKDKRLHDQTD-JZXOWHBKSA-N 2 1 335.536 3.019 20 0 EGADMP CC1CC(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C3)C1 ZINC001095415369 1362132970 /nfs/dbraw/zinc/13/29/70/1362132970.db2.gz YCQAUEFFVYWJLW-GXZRBYELSA-N 2 1 347.547 3.019 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001095625125 1362188690 /nfs/dbraw/zinc/18/86/90/1362188690.db2.gz ZLDHUUUOZHZTCN-FUMNGEBKSA-N 2 1 345.531 3.083 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001095625125 1362188691 /nfs/dbraw/zinc/18/86/91/1362188691.db2.gz ZLDHUUUOZHZTCN-FUMNGEBKSA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1=CCCCC1 ZINC001095625125 1362188693 /nfs/dbraw/zinc/18/86/93/1362188693.db2.gz ZLDHUUUOZHZTCN-FUMNGEBKSA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1=CCCCC1 ZINC001095625125 1362188694 /nfs/dbraw/zinc/18/86/94/1362188694.db2.gz ZLDHUUUOZHZTCN-FUMNGEBKSA-N 2 1 345.531 3.083 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCC2)CC1 ZINC001096238413 1362447551 /nfs/dbraw/zinc/44/75/51/1362447551.db2.gz WYDNGJIBPAGMGB-AABGKKOBSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001097218650 1362890485 /nfs/dbraw/zinc/89/04/85/1362890485.db2.gz JTNMBAFRMLTVNG-WTGUMLROSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1 ZINC001097218650 1362890491 /nfs/dbraw/zinc/89/04/91/1362890491.db2.gz JTNMBAFRMLTVNG-WTGUMLROSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001097218650 1362890497 /nfs/dbraw/zinc/89/04/97/1362890497.db2.gz JTNMBAFRMLTVNG-WTGUMLROSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001097405620 1362974969 /nfs/dbraw/zinc/97/49/69/1362974969.db2.gz OMGIWFMXAJJIHU-YSTOQKLRSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1 ZINC001097405620 1362974972 /nfs/dbraw/zinc/97/49/72/1362974972.db2.gz OMGIWFMXAJJIHU-YSTOQKLRSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001097405620 1362974975 /nfs/dbraw/zinc/97/49/75/1362974975.db2.gz OMGIWFMXAJJIHU-YSTOQKLRSA-N 2 1 347.547 3.019 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001098463714 1363333278 /nfs/dbraw/zinc/33/32/78/1363333278.db2.gz CHVDYNFLDDWRDR-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001098463714 1363333280 /nfs/dbraw/zinc/33/32/80/1363333280.db2.gz CHVDYNFLDDWRDR-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001098463714 1363333283 /nfs/dbraw/zinc/33/32/83/1363333283.db2.gz CHVDYNFLDDWRDR-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCC1)C2 ZINC001098835296 1363487635 /nfs/dbraw/zinc/48/76/35/1363487635.db2.gz NZUZEOJAFBJRGP-ZJOUEHCJSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCCC1)C2 ZINC001098835296 1363487637 /nfs/dbraw/zinc/48/76/37/1363487637.db2.gz NZUZEOJAFBJRGP-ZJOUEHCJSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCC1)C2 ZINC001098835296 1363487638 /nfs/dbraw/zinc/48/76/38/1363487638.db2.gz NZUZEOJAFBJRGP-ZJOUEHCJSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099111141 1363628363 /nfs/dbraw/zinc/62/83/63/1363628363.db2.gz SEINFRSGBHRIBL-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099111141 1363628365 /nfs/dbraw/zinc/62/83/65/1363628365.db2.gz SEINFRSGBHRIBL-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001099111141 1363628367 /nfs/dbraw/zinc/62/83/67/1363628367.db2.gz SEINFRSGBHRIBL-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115769 1363632467 /nfs/dbraw/zinc/63/24/67/1363632467.db2.gz JRFHHWURWGJTMB-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001099115769 1363632471 /nfs/dbraw/zinc/63/24/71/1363632471.db2.gz JRFHHWURWGJTMB-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001099115769 1363632474 /nfs/dbraw/zinc/63/24/74/1363632474.db2.gz JRFHHWURWGJTMB-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001099121571 1363635662 /nfs/dbraw/zinc/63/56/62/1363635662.db2.gz LTIWJGWXNFQHAW-KAGICYHLSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001099121571 1363635664 /nfs/dbraw/zinc/63/56/64/1363635664.db2.gz LTIWJGWXNFQHAW-KAGICYHLSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001099121571 1363635666 /nfs/dbraw/zinc/63/56/66/1363635666.db2.gz LTIWJGWXNFQHAW-KAGICYHLSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001099121571 1363635668 /nfs/dbraw/zinc/63/56/68/1363635668.db2.gz LTIWJGWXNFQHAW-KAGICYHLSA-N 2 1 349.563 3.434 20 0 EGADMP C[NH+](C)C1(CC(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC2CC2)CCCC1 ZINC001099154219 1363660260 /nfs/dbraw/zinc/66/02/60/1363660260.db2.gz USZPOQJQKJLQEN-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001099234534 1363705442 /nfs/dbraw/zinc/70/54/42/1363705442.db2.gz JUNHSJMREQBNBI-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1 ZINC001099234534 1363705444 /nfs/dbraw/zinc/70/54/44/1363705444.db2.gz JUNHSJMREQBNBI-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCCC1 ZINC001099234534 1363705446 /nfs/dbraw/zinc/70/54/46/1363705446.db2.gz JUNHSJMREQBNBI-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001099281763 1363730124 /nfs/dbraw/zinc/73/01/24/1363730124.db2.gz XVAFJGJFSQSHAW-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H](F)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310323 1363742807 /nfs/dbraw/zinc/74/28/07/1363742807.db2.gz JTVUMQQDRVMNSN-IAGOWNOFSA-N 2 1 343.531 3.073 20 0 EGADMP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340758 1363761403 /nfs/dbraw/zinc/76/14/03/1363761403.db2.gz YJEPQOWBRAFFJM-MJRGOJFPSA-N 2 1 346.519 3.155 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340758 1363761404 /nfs/dbraw/zinc/76/14/04/1363761404.db2.gz YJEPQOWBRAFFJM-MJRGOJFPSA-N 2 1 346.519 3.155 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099520888 1363831152 /nfs/dbraw/zinc/83/11/52/1363831152.db2.gz PFJADNSWMTUKLR-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001100419534 1364108573 /nfs/dbraw/zinc/10/85/73/1364108573.db2.gz WINVFHHQKZAWLJ-JVSUKQCGSA-N 2 1 335.536 3.092 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)c1ccccc1 ZINC001324544623 1387664450 /nfs/dbraw/zinc/66/44/50/1387664450.db2.gz HSPUBABGUZHWQQ-RLLQIKCJSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1ccccc1 ZINC001324544623 1387664457 /nfs/dbraw/zinc/66/44/57/1387664457.db2.gz HSPUBABGUZHWQQ-RLLQIKCJSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1ccccc1 ZINC001324544623 1387664463 /nfs/dbraw/zinc/66/44/63/1387664463.db2.gz HSPUBABGUZHWQQ-RLLQIKCJSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2CC([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001100678574 1364214910 /nfs/dbraw/zinc/21/49/10/1364214910.db2.gz PIWPTPRRPFXOQK-IPJUCJBFSA-N 2 1 349.563 3.029 20 0 EGADMP CCCCCC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001100720097 1364234285 /nfs/dbraw/zinc/23/42/85/1364234285.db2.gz GJLGAGAGHHAELQ-UHFFFAOYSA-N 2 1 334.508 3.071 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001100757627 1364248325 /nfs/dbraw/zinc/24/83/25/1364248325.db2.gz CNELJZIOFGFYAK-UHFFFAOYSA-N 2 1 346.519 3.036 20 0 EGADMP CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001100848212 1364290142 /nfs/dbraw/zinc/29/01/42/1364290142.db2.gz CDMKWFWMPJBITQ-JFODKEKWSA-N 2 1 349.563 3.482 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCC2CC([NH2+]CCC3CCCCCC3)C2)C1 ZINC001100872861 1364305493 /nfs/dbraw/zinc/30/54/93/1364305493.db2.gz MGCYRXYNKHCYIG-HDYDNRTBSA-N 2 1 349.563 3.173 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(C)C)[C@H](C)C1 ZINC001185318197 1387681664 /nfs/dbraw/zinc/68/16/64/1387681664.db2.gz USYZZJRZAUGPDC-RTBURBONSA-N 2 1 339.568 3.229 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001101336960 1364515389 /nfs/dbraw/zinc/51/53/89/1364515389.db2.gz WVXIWCLCIDVAMM-SBHAEUEKSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@]2(C)C1 ZINC001101336960 1364515393 /nfs/dbraw/zinc/51/53/93/1364515393.db2.gz WVXIWCLCIDVAMM-SBHAEUEKSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@]2(C)C1 ZINC001101336960 1364515398 /nfs/dbraw/zinc/51/53/98/1364515398.db2.gz WVXIWCLCIDVAMM-SBHAEUEKSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001101548898 1364612451 /nfs/dbraw/zinc/61/24/51/1364612451.db2.gz PIYHPGBSJOSAFP-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CCC2CC2)CC1 ZINC001101551549 1364614266 /nfs/dbraw/zinc/61/42/66/1364614266.db2.gz PWOYRRQCXXRBOL-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001101582164 1364634151 /nfs/dbraw/zinc/63/41/51/1364634151.db2.gz BMRLTBVMHQKIRR-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@@](C)(NC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001324618586 1387701332 /nfs/dbraw/zinc/70/13/32/1387701332.db2.gz BJJWAWOVXHTDLR-LAUBAEHRSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CC[C@@](C)(NC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001324618586 1387701336 /nfs/dbraw/zinc/70/13/36/1387701336.db2.gz BJJWAWOVXHTDLR-LAUBAEHRSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CC[C@@](C)(NC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001324618586 1387701342 /nfs/dbraw/zinc/70/13/42/1387701342.db2.gz BJJWAWOVXHTDLR-LAUBAEHRSA-N 2 1 343.515 3.121 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102045089 1364821572 /nfs/dbraw/zinc/82/15/72/1364821572.db2.gz REENEFUKUAMUFJ-JCHUFIKGSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102045089 1364821573 /nfs/dbraw/zinc/82/15/73/1364821573.db2.gz REENEFUKUAMUFJ-JCHUFIKGSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001102045089 1364821574 /nfs/dbraw/zinc/82/15/74/1364821574.db2.gz REENEFUKUAMUFJ-JCHUFIKGSA-N 2 1 349.563 3.290 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102214753 1364937830 /nfs/dbraw/zinc/93/78/30/1364937830.db2.gz CEPDCKNZNNOPBV-YZBXUTEPSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C)[NH+](CC)CC ZINC001102356412 1365020282 /nfs/dbraw/zinc/02/02/82/1365020282.db2.gz JDKCLTODUUNENU-RLLQIKCJSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102430445 1365050988 /nfs/dbraw/zinc/05/09/88/1365050988.db2.gz QRMPSSQGPOCMPL-CEXWTWQISA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102781940 1365215886 /nfs/dbraw/zinc/21/58/86/1365215886.db2.gz DJZRLJQNNOACCR-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001102781940 1365215889 /nfs/dbraw/zinc/21/58/89/1365215889.db2.gz DJZRLJQNNOACCR-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001102781940 1365215891 /nfs/dbraw/zinc/21/58/91/1365215891.db2.gz DJZRLJQNNOACCR-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CCCC(C)(C)C)C1 ZINC001324669665 1387726914 /nfs/dbraw/zinc/72/69/14/1387726914.db2.gz QUKUQYKTQLOXDI-LJQANCHMSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CCCC(C)(C)C)C1 ZINC001324669665 1387726921 /nfs/dbraw/zinc/72/69/21/1387726921.db2.gz QUKUQYKTQLOXDI-LJQANCHMSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](CCCC(C)(C)C)C1 ZINC001324669665 1387726925 /nfs/dbraw/zinc/72/69/25/1387726925.db2.gz QUKUQYKTQLOXDI-LJQANCHMSA-N 2 1 325.541 3.125 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[C@@H]1C[N@H+](CC(C)C)C[C@H]1C ZINC001103007204 1365335117 /nfs/dbraw/zinc/33/51/17/1365335117.db2.gz FJSWXIWCCBEPAT-KZNAEPCWSA-N 2 1 348.535 3.127 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001103007204 1365335123 /nfs/dbraw/zinc/33/51/23/1365335123.db2.gz FJSWXIWCCBEPAT-KZNAEPCWSA-N 2 1 348.535 3.127 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090042 1365375422 /nfs/dbraw/zinc/37/54/22/1365375422.db2.gz JWVBKUNQQKRQCF-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC001103090042 1365375425 /nfs/dbraw/zinc/37/54/25/1365375425.db2.gz JWVBKUNQQKRQCF-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001103090042 1365375427 /nfs/dbraw/zinc/37/54/27/1365375427.db2.gz JWVBKUNQQKRQCF-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001103103720 1365382158 /nfs/dbraw/zinc/38/21/58/1365382158.db2.gz WDXBRHFKCZRLFE-HPFJUIBNSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001103103720 1365382164 /nfs/dbraw/zinc/38/21/64/1365382164.db2.gz WDXBRHFKCZRLFE-HPFJUIBNSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001103103720 1365382169 /nfs/dbraw/zinc/38/21/69/1365382169.db2.gz WDXBRHFKCZRLFE-HPFJUIBNSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001185547495 1387744909 /nfs/dbraw/zinc/74/49/09/1387744909.db2.gz HZQRMIXYWUWEKI-HKVOBHHDSA-N 2 1 337.552 3.149 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC001185550532 1387746126 /nfs/dbraw/zinc/74/61/26/1387746126.db2.gz UGAOCVPDKPVWNU-ROUUACIJSA-N 2 1 339.568 3.229 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103379047 1365525837 /nfs/dbraw/zinc/52/58/37/1365525837.db2.gz XRJCFMOPBKCYLH-JNVNVXKGSA-N 2 1 337.552 3.149 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC2CCC2)C[C@H]1C ZINC001103495447 1365597196 /nfs/dbraw/zinc/59/71/96/1365597196.db2.gz CQPALBVMIWFMIB-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001103495447 1365597200 /nfs/dbraw/zinc/59/72/00/1365597200.db2.gz CQPALBVMIWFMIB-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001103495447 1365597204 /nfs/dbraw/zinc/59/72/04/1365597204.db2.gz CQPALBVMIWFMIB-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)NCC[C@@H]1C[N@@H+](CCC)C[C@H]1C ZINC001103633565 1365691494 /nfs/dbraw/zinc/69/14/94/1365691494.db2.gz DAXHZRNLRQEIKP-RTBURBONSA-N 2 1 339.568 3.373 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001185682569 1387777101 /nfs/dbraw/zinc/77/71/01/1387777101.db2.gz QTZFLEQBXOGYAY-IIFCEKJISA-N 2 1 346.519 3.012 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001185723574 1387785088 /nfs/dbraw/zinc/78/50/88/1387785088.db2.gz OEZSUZTWKCPMEC-QZTJIDSGSA-N 2 1 345.531 3.224 20 0 EGADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001104676629 1366127082 /nfs/dbraw/zinc/12/70/82/1366127082.db2.gz RXDMXPFBSSCQCD-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]CCC1CCCC1 ZINC001104676450 1366127361 /nfs/dbraw/zinc/12/73/61/1366127361.db2.gz KQHORQIQOWCYCQ-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(C)C)C1 ZINC001104803290 1366179777 /nfs/dbraw/zinc/17/97/77/1366179777.db2.gz RRNZLIZNFCDHQR-RTBURBONSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c2ccccc2)C1 ZINC001104938689 1366231712 /nfs/dbraw/zinc/23/17/12/1366231712.db2.gz BKYUCRLLLLAFEX-WSTZPKSXSA-N 2 1 345.531 3.164 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105517972 1366505530 /nfs/dbraw/zinc/50/55/30/1366505530.db2.gz NTYCPRDSVWVPCA-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001106321903 1366653185 /nfs/dbraw/zinc/65/31/85/1366653185.db2.gz HINXHIXFBHYUDW-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001106357952 1366668394 /nfs/dbraw/zinc/66/83/94/1366668394.db2.gz QQIGAXWNEDECDF-JCHUFIKGSA-N 2 1 349.563 3.147 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436695 1366962732 /nfs/dbraw/zinc/96/27/32/1366962732.db2.gz LRKXGHGWSDTFGQ-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107450800 1366968646 /nfs/dbraw/zinc/96/86/46/1366968646.db2.gz NLUXZLRGWKZHKT-SFHLNBCPSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001107450800 1366968649 /nfs/dbraw/zinc/96/86/49/1366968649.db2.gz NLUXZLRGWKZHKT-SFHLNBCPSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001107450800 1366968651 /nfs/dbraw/zinc/96/86/51/1366968651.db2.gz NLUXZLRGWKZHKT-SFHLNBCPSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(C)(C)C1)CC2 ZINC001107524151 1367017983 /nfs/dbraw/zinc/01/79/83/1367017983.db2.gz KIIRDKXHRFDNDZ-WIYYLYMNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC1CCCC1)CC2 ZINC001107531018 1367023436 /nfs/dbraw/zinc/02/34/36/1367023436.db2.gz YMLIHOXWNCJLMO-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609089 1367070432 /nfs/dbraw/zinc/07/04/32/1367070432.db2.gz CBIYNAZVJSYSQN-SFHLNBCPSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609089 1367070438 /nfs/dbraw/zinc/07/04/38/1367070438.db2.gz CBIYNAZVJSYSQN-SFHLNBCPSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609089 1367070441 /nfs/dbraw/zinc/07/04/41/1367070441.db2.gz CBIYNAZVJSYSQN-SFHLNBCPSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CC(C)C1)CC2 ZINC001107615810 1367075270 /nfs/dbraw/zinc/07/52/70/1367075270.db2.gz MDXLIKBGPOWWCF-SDVBZNEUSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(C)C1)CC2 ZINC001107615810 1367075274 /nfs/dbraw/zinc/07/52/74/1367075274.db2.gz MDXLIKBGPOWWCF-SDVBZNEUSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(C)C1)CC2 ZINC001107615810 1367075278 /nfs/dbraw/zinc/07/52/78/1367075278.db2.gz MDXLIKBGPOWWCF-SDVBZNEUSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1=CCCCC1)CC2 ZINC001107646746 1367091922 /nfs/dbraw/zinc/09/19/22/1367091922.db2.gz UHZAAKVGPMHVNN-TZIWHRDSSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1=CCCCC1)CC2 ZINC001107646746 1367091929 /nfs/dbraw/zinc/09/19/29/1367091929.db2.gz UHZAAKVGPMHVNN-TZIWHRDSSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1=CCCCC1)CC2 ZINC001107646746 1367091935 /nfs/dbraw/zinc/09/19/35/1367091935.db2.gz UHZAAKVGPMHVNN-TZIWHRDSSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCC3CCCCCC3)C[C@H]21 ZINC001189906714 1367127957 /nfs/dbraw/zinc/12/79/57/1367127957.db2.gz KVGUMBIOSRCDFO-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21 ZINC001189906714 1367127960 /nfs/dbraw/zinc/12/79/60/1367127960.db2.gz KVGUMBIOSRCDFO-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]21 ZINC001189906714 1367127964 /nfs/dbraw/zinc/12/79/64/1367127964.db2.gz KVGUMBIOSRCDFO-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001109464165 1367137718 /nfs/dbraw/zinc/13/77/18/1367137718.db2.gz OTOBBPYCGJQNMH-QYZOEREBSA-N 2 1 347.547 3.329 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1=CCCCC1 ZINC001109464165 1367137722 /nfs/dbraw/zinc/13/77/22/1367137722.db2.gz OTOBBPYCGJQNMH-QYZOEREBSA-N 2 1 347.547 3.329 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1=CCCCC1 ZINC001109464165 1367137728 /nfs/dbraw/zinc/13/77/28/1367137728.db2.gz OTOBBPYCGJQNMH-QYZOEREBSA-N 2 1 347.547 3.329 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190177139 1367191673 /nfs/dbraw/zinc/19/16/73/1367191673.db2.gz PPQJGSSHAMAUNC-MJRGOJFPSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001109635585 1367255509 /nfs/dbraw/zinc/25/55/09/1367255509.db2.gz JNDSDZTZMQKPHI-MIIYPZDFSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001109635585 1367255513 /nfs/dbraw/zinc/25/55/13/1367255513.db2.gz JNDSDZTZMQKPHI-MIIYPZDFSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001109635585 1367255516 /nfs/dbraw/zinc/25/55/16/1367255516.db2.gz JNDSDZTZMQKPHI-MIIYPZDFSA-N 2 1 347.547 3.186 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001109635661 1367255573 /nfs/dbraw/zinc/25/55/73/1367255573.db2.gz MOWMTTMRYRJFPV-YRXWBPOGSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001109635661 1367255575 /nfs/dbraw/zinc/25/55/75/1367255575.db2.gz MOWMTTMRYRJFPV-YRXWBPOGSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001109635661 1367255578 /nfs/dbraw/zinc/25/55/78/1367255578.db2.gz MOWMTTMRYRJFPV-YRXWBPOGSA-N 2 1 335.536 3.020 20 0 EGADMP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646049 1367262058 /nfs/dbraw/zinc/26/20/58/1367262058.db2.gz GSUUVSAJIWYVNT-OYGDTKMKSA-N 2 1 345.487 3.033 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646049 1367262062 /nfs/dbraw/zinc/26/20/62/1367262062.db2.gz GSUUVSAJIWYVNT-OYGDTKMKSA-N 2 1 345.487 3.033 20 0 EGADMP CC(C)=CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191060793 1367413571 /nfs/dbraw/zinc/41/35/71/1367413571.db2.gz DKNANTGQJPDVKZ-GOSISDBHSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001191060793 1367413574 /nfs/dbraw/zinc/41/35/74/1367413574.db2.gz DKNANTGQJPDVKZ-GOSISDBHSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001191060793 1367413578 /nfs/dbraw/zinc/41/35/78/1367413578.db2.gz DKNANTGQJPDVKZ-GOSISDBHSA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191080534 1367419462 /nfs/dbraw/zinc/41/94/62/1367419462.db2.gz IMWFEKMKYICOBX-CLJKYYQGSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191080534 1367419464 /nfs/dbraw/zinc/41/94/64/1367419464.db2.gz IMWFEKMKYICOBX-CLJKYYQGSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191080534 1367419466 /nfs/dbraw/zinc/41/94/66/1367419466.db2.gz IMWFEKMKYICOBX-CLJKYYQGSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191506601 1367516699 /nfs/dbraw/zinc/51/66/99/1367516699.db2.gz ADJRWOCUYGJWPT-SBUVDCAVSA-N 2 1 347.547 3.140 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161609 1367534524 /nfs/dbraw/zinc/53/45/24/1367534524.db2.gz LTTFFBVZTYAXOH-FYQPLNBISA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C)[NH+]1CCCC1 ZINC001110161361 1367534573 /nfs/dbraw/zinc/53/45/73/1367534573.db2.gz BZHRMBHGLOHKKW-YDZRNGNQSA-N 2 1 349.563 3.265 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161552 1367534951 /nfs/dbraw/zinc/53/49/51/1367534951.db2.gz JDDUXVJCOBUNQP-LIAHNQMCSA-N 2 1 347.547 3.185 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161608 1367535231 /nfs/dbraw/zinc/53/52/31/1367535231.db2.gz LTTFFBVZTYAXOH-FUMNGEBKSA-N 2 1 349.563 3.265 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001108717460 1367553734 /nfs/dbraw/zinc/55/37/34/1367553734.db2.gz LAWITXDOHIDVAE-NVIJWMOFSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001108764081 1367579916 /nfs/dbraw/zinc/57/99/16/1367579916.db2.gz DHDPHGFPXQPKAG-AMIRNFFCSA-N 2 1 349.563 3.290 20 0 EGADMP CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001108778352 1367591218 /nfs/dbraw/zinc/59/12/18/1367591218.db2.gz PCCYWGZHWGVRPJ-OTWHNJEPSA-N 2 1 346.519 3.131 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001108831459 1367625001 /nfs/dbraw/zinc/62/50/01/1367625001.db2.gz GDUPYYYXXQCUPO-AMIRNFFCSA-N 2 1 335.536 3.042 20 0 EGADMP CC(C)=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946864 1367646366 /nfs/dbraw/zinc/64/63/66/1367646366.db2.gz FSTLPHCVKKKLGT-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191946864 1367646369 /nfs/dbraw/zinc/64/63/69/1367646369.db2.gz FSTLPHCVKKKLGT-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191946864 1367646372 /nfs/dbraw/zinc/64/63/72/1367646372.db2.gz FSTLPHCVKKKLGT-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192394865 1367771781 /nfs/dbraw/zinc/77/17/81/1367771781.db2.gz FYQWUOZMDABVRA-QZTJIDSGSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@@H](C)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192394865 1367771786 /nfs/dbraw/zinc/77/17/86/1367771786.db2.gz FYQWUOZMDABVRA-QZTJIDSGSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@@H](C)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192394865 1367771790 /nfs/dbraw/zinc/77/17/90/1367771790.db2.gz FYQWUOZMDABVRA-QZTJIDSGSA-N 2 1 339.568 3.179 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192398337 1367773750 /nfs/dbraw/zinc/77/37/50/1367773750.db2.gz ORDDEOORXRYXPI-LPADLIQXSA-N 2 1 337.552 3.243 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192398337 1367773759 /nfs/dbraw/zinc/77/37/59/1367773759.db2.gz ORDDEOORXRYXPI-LPADLIQXSA-N 2 1 337.552 3.243 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192398337 1367773765 /nfs/dbraw/zinc/77/37/65/1367773765.db2.gz ORDDEOORXRYXPI-LPADLIQXSA-N 2 1 337.552 3.243 20 0 EGADMP CCC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192598022 1367830125 /nfs/dbraw/zinc/83/01/25/1367830125.db2.gz ZCDKSPJJKAMUNZ-ZEVQVBBLSA-N 2 1 346.519 3.286 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192598022 1367830130 /nfs/dbraw/zinc/83/01/30/1367830130.db2.gz ZCDKSPJJKAMUNZ-ZEVQVBBLSA-N 2 1 346.519 3.286 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1 ZINC001192603943 1367831227 /nfs/dbraw/zinc/83/12/27/1367831227.db2.gz HDVSFRPTVKQRBH-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001192603943 1367831233 /nfs/dbraw/zinc/83/12/33/1367831233.db2.gz HDVSFRPTVKQRBH-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP C[C@H]1CC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@@H]1O ZINC001192850324 1367887495 /nfs/dbraw/zinc/88/74/95/1367887495.db2.gz WCDLQIJGEMUWPL-RXVVDRJESA-N 2 1 330.516 3.034 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC2CC(C)C2)C1 ZINC001192905930 1367901478 /nfs/dbraw/zinc/90/14/78/1367901478.db2.gz IFECVWMYMDQLIL-ACBHZAAOSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CC2CC(C)C2)C1 ZINC001192905930 1367901482 /nfs/dbraw/zinc/90/14/82/1367901482.db2.gz IFECVWMYMDQLIL-ACBHZAAOSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)C2)C1 ZINC001192905930 1367901485 /nfs/dbraw/zinc/90/14/85/1367901485.db2.gz IFECVWMYMDQLIL-ACBHZAAOSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)CC1 ZINC001110737049 1367954136 /nfs/dbraw/zinc/95/41/36/1367954136.db2.gz YDQKJHOGTARYSH-JIARVOFWSA-N 2 1 349.563 3.265 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC(C)CC1 ZINC001110737049 1367954142 /nfs/dbraw/zinc/95/41/42/1367954142.db2.gz YDQKJHOGTARYSH-JIARVOFWSA-N 2 1 349.563 3.265 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC(C)CC1 ZINC001110737049 1367954167 /nfs/dbraw/zinc/95/41/67/1367954167.db2.gz YDQKJHOGTARYSH-JIARVOFWSA-N 2 1 349.563 3.265 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC2CCC(C)(C)CC2)C1 ZINC001193290811 1367991040 /nfs/dbraw/zinc/99/10/40/1367991040.db2.gz FFMFODRPONCFQJ-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC2CCC(C)(C)CC2)C1 ZINC001193290811 1367991044 /nfs/dbraw/zinc/99/10/44/1367991044.db2.gz FFMFODRPONCFQJ-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC2CCC(C)(C)CC2)C1 ZINC001193290811 1367991051 /nfs/dbraw/zinc/99/10/51/1367991051.db2.gz FFMFODRPONCFQJ-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408135 1368020732 /nfs/dbraw/zinc/02/07/32/1368020732.db2.gz DRVREWJIEBUXON-PZJWPPBQSA-N 2 1 345.531 3.186 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001110847004 1368027641 /nfs/dbraw/zinc/02/76/41/1368027641.db2.gz GYCWVXVJRKBMCY-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP Cc1ccc(C)c(C[N@H+](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001193560255 1368061274 /nfs/dbraw/zinc/06/12/74/1368061274.db2.gz PLICVINXUZSQKC-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001193612168 1368074354 /nfs/dbraw/zinc/07/43/54/1368074354.db2.gz ZZUNMRPXUQSVHZ-AZUAARDMSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001193612168 1368074359 /nfs/dbraw/zinc/07/43/59/1368074359.db2.gz ZZUNMRPXUQSVHZ-AZUAARDMSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001193612168 1368074363 /nfs/dbraw/zinc/07/43/63/1368074363.db2.gz ZZUNMRPXUQSVHZ-AZUAARDMSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@@H](CC)c2ccc(F)cc2)C1 ZINC001193639551 1368081717 /nfs/dbraw/zinc/08/17/17/1368081717.db2.gz AUENHYCFFBQOKX-MOPGFXCFSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](CC)c2ccc(F)cc2)C1 ZINC001193639551 1368081720 /nfs/dbraw/zinc/08/17/20/1368081720.db2.gz AUENHYCFFBQOKX-MOPGFXCFSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](CC)c2ccc(F)cc2)C1 ZINC001193639551 1368081726 /nfs/dbraw/zinc/08/17/26/1368081726.db2.gz AUENHYCFFBQOKX-MOPGFXCFSA-N 2 1 349.494 3.151 20 0 EGADMP CCCc1ccc(C[NH+](C)[C@@H]2CCN(C(=O)C[N@H+](C)CCC)C2)cc1 ZINC001193643320 1368082795 /nfs/dbraw/zinc/08/27/95/1368082795.db2.gz SLXDIESPBQYBDC-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCCc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)C[NH+](C)CCC)C2)cc1 ZINC001193643320 1368082800 /nfs/dbraw/zinc/08/28/00/1368082800.db2.gz SLXDIESPBQYBDC-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)C[NH+](C)CCC)C2)cc1 ZINC001193643320 1368082807 /nfs/dbraw/zinc/08/28/07/1368082807.db2.gz SLXDIESPBQYBDC-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001110934614 1368104570 /nfs/dbraw/zinc/10/45/70/1368104570.db2.gz JNDSDZTZMQKPHI-DTGBZTBESA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001110934614 1368104572 /nfs/dbraw/zinc/10/45/72/1368104572.db2.gz JNDSDZTZMQKPHI-DTGBZTBESA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001110934614 1368104577 /nfs/dbraw/zinc/10/45/77/1368104577.db2.gz JNDSDZTZMQKPHI-DTGBZTBESA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1)[NH+](C)C ZINC001110993986 1368137741 /nfs/dbraw/zinc/13/77/41/1368137741.db2.gz IVPSCZKIGZCJBU-YSTOQKLRSA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1)[NH+](CC)CC ZINC001111017943 1368144602 /nfs/dbraw/zinc/14/46/02/1368144602.db2.gz HLFIOWPPYHNXRR-WTGUMLROSA-N 2 1 343.515 3.029 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111025230 1368145209 /nfs/dbraw/zinc/14/52/09/1368145209.db2.gz SEQUMPWVIFARFY-RTUSNTFBSA-N 2 1 347.547 3.186 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001111025230 1368145213 /nfs/dbraw/zinc/14/52/13/1368145213.db2.gz SEQUMPWVIFARFY-RTUSNTFBSA-N 2 1 347.547 3.186 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001111025230 1368145216 /nfs/dbraw/zinc/14/52/16/1368145216.db2.gz SEQUMPWVIFARFY-RTUSNTFBSA-N 2 1 347.547 3.186 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111028932 1368145474 /nfs/dbraw/zinc/14/54/74/1368145474.db2.gz XNKJKEGHYFHCSQ-NFTNHMJPSA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001111028932 1368145475 /nfs/dbraw/zinc/14/54/75/1368145475.db2.gz XNKJKEGHYFHCSQ-NFTNHMJPSA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111028932 1368145479 /nfs/dbraw/zinc/14/54/79/1368145479.db2.gz XNKJKEGHYFHCSQ-NFTNHMJPSA-N 2 1 349.563 3.432 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001111099150 1368158334 /nfs/dbraw/zinc/15/83/34/1368158334.db2.gz SBHCMLFPGQDSQQ-YRXWBPOGSA-N 2 1 335.536 3.161 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001111099150 1368158337 /nfs/dbraw/zinc/15/83/37/1368158337.db2.gz SBHCMLFPGQDSQQ-YRXWBPOGSA-N 2 1 335.536 3.161 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001111099150 1368158339 /nfs/dbraw/zinc/15/83/39/1368158339.db2.gz SBHCMLFPGQDSQQ-YRXWBPOGSA-N 2 1 335.536 3.161 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001111098660 1368158544 /nfs/dbraw/zinc/15/85/44/1368158544.db2.gz JUDIOELLUJHNLX-ZRNYENFQSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001111098660 1368158549 /nfs/dbraw/zinc/15/85/49/1368158549.db2.gz JUDIOELLUJHNLX-ZRNYENFQSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001111098660 1368158554 /nfs/dbraw/zinc/15/85/54/1368158554.db2.gz JUDIOELLUJHNLX-ZRNYENFQSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)c1ccc(C[NH+](C)[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001194284722 1368224644 /nfs/dbraw/zinc/22/46/44/1368224644.db2.gz MNSDQRQOUMBECY-FQEVSTJZSA-N 2 1 345.531 3.183 20 0 EGADMP CC(C)c1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001194284722 1368224649 /nfs/dbraw/zinc/22/46/49/1368224649.db2.gz MNSDQRQOUMBECY-FQEVSTJZSA-N 2 1 345.531 3.183 20 0 EGADMP CC(C)c1ccc(C[N@H+](C)[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001194284722 1368224676 /nfs/dbraw/zinc/22/46/76/1368224676.db2.gz MNSDQRQOUMBECY-FQEVSTJZSA-N 2 1 345.531 3.183 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001195785496 1368489685 /nfs/dbraw/zinc/48/96/85/1368489685.db2.gz NEEIVTCNJAOKPI-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001195785496 1368489688 /nfs/dbraw/zinc/48/96/88/1368489688.db2.gz NEEIVTCNJAOKPI-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001195785496 1368489690 /nfs/dbraw/zinc/48/96/90/1368489690.db2.gz NEEIVTCNJAOKPI-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001195852867 1368504152 /nfs/dbraw/zinc/50/41/52/1368504152.db2.gz DVLGNAYNQCKFTR-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001195852867 1368504157 /nfs/dbraw/zinc/50/41/57/1368504157.db2.gz DVLGNAYNQCKFTR-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001195852867 1368504161 /nfs/dbraw/zinc/50/41/61/1368504161.db2.gz DVLGNAYNQCKFTR-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCC1)C2)[NH+](CC)CC ZINC001111869103 1368516241 /nfs/dbraw/zinc/51/62/41/1368516241.db2.gz XWLZMHZVFBENMG-ZJOUEHCJSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC=C(C)C)C2)[NH+](CC)CC ZINC001111870039 1368517299 /nfs/dbraw/zinc/51/72/99/1368517299.db2.gz XVPLZRPDBFATGI-NSHGMRRFSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001111871675 1368519321 /nfs/dbraw/zinc/51/93/21/1368519321.db2.gz FDOXKNVDOHJYMZ-ICPTVLRXSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001111871675 1368519326 /nfs/dbraw/zinc/51/93/26/1368519326.db2.gz FDOXKNVDOHJYMZ-ICPTVLRXSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001111871675 1368519328 /nfs/dbraw/zinc/51/93/28/1368519328.db2.gz FDOXKNVDOHJYMZ-ICPTVLRXSA-N 2 1 347.547 3.045 20 0 EGADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001196023759 1368536986 /nfs/dbraw/zinc/53/69/86/1368536986.db2.gz BMCSQIOJDSOYHE-QGZVFWFLSA-N 2 1 343.531 3.027 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001196060215 1368540918 /nfs/dbraw/zinc/54/09/18/1368540918.db2.gz OVLQZVLLFVUXKG-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](C[C@H](C)CC(C)C)CC1 ZINC001196060215 1368540920 /nfs/dbraw/zinc/54/09/20/1368540920.db2.gz OVLQZVLLFVUXKG-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](C[C@H](C)CC(C)C)CC1 ZINC001196060215 1368540926 /nfs/dbraw/zinc/54/09/26/1368540926.db2.gz OVLQZVLLFVUXKG-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001196163468 1368559589 /nfs/dbraw/zinc/55/95/89/1368559589.db2.gz OTBDRRBEPBZWSC-UEKDZROGSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C/CC[NH+]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001196163468 1368559591 /nfs/dbraw/zinc/55/95/91/1368559591.db2.gz OTBDRRBEPBZWSC-UEKDZROGSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C/CC[NH+]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001196163468 1368559594 /nfs/dbraw/zinc/55/95/94/1368559594.db2.gz OTBDRRBEPBZWSC-UEKDZROGSA-N 2 1 335.536 3.140 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N[C@]12CCC[C@H]1C[N@@H+](CC1CCC1)C2 ZINC001111987044 1368591979 /nfs/dbraw/zinc/59/19/79/1368591979.db2.gz NWVZYZHYDIFMFE-FPOVZHCZSA-N 2 1 347.547 3.023 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCC(C)CC1)C2 ZINC001112009575 1368613325 /nfs/dbraw/zinc/61/33/25/1368613325.db2.gz JRWKEUYGFUWOND-XSNSTOHYSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCC(C)CC1)C2 ZINC001112009575 1368613329 /nfs/dbraw/zinc/61/33/29/1368613329.db2.gz JRWKEUYGFUWOND-XSNSTOHYSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCC(C)CC1)C2 ZINC001112009575 1368613333 /nfs/dbraw/zinc/61/33/33/1368613333.db2.gz JRWKEUYGFUWOND-XSNSTOHYSA-N 2 1 349.563 3.124 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009522 1368613469 /nfs/dbraw/zinc/61/34/69/1368613469.db2.gz HHUICXGBSQIWCL-KDCRJJDASA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001112009522 1368613474 /nfs/dbraw/zinc/61/34/74/1368613474.db2.gz HHUICXGBSQIWCL-KDCRJJDASA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001112009522 1368613475 /nfs/dbraw/zinc/61/34/75/1368613475.db2.gz HHUICXGBSQIWCL-KDCRJJDASA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@H](C(=O)N1CCC[N@@H+](C[C@H](C)CC(C)C)CC1)[NH+](CC)CC ZINC001197141331 1368753666 /nfs/dbraw/zinc/75/36/66/1368753666.db2.gz GWXNVOVEERPSRL-RTBURBONSA-N 2 1 339.568 3.323 20 0 EGADMP CCCc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](CC)CC)CC2)cc1 ZINC001197491696 1368824661 /nfs/dbraw/zinc/82/46/61/1368824661.db2.gz ILNAEUFYOWZULL-UHFFFAOYSA-N 2 1 345.531 3.015 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)N1CCC[NH+](CCC(C)C)CC1)c1ccccc1 ZINC001197809612 1368903055 /nfs/dbraw/zinc/90/30/55/1368903055.db2.gz DEVOXQCHTUEWTL-HXUWFJFHSA-N 2 1 345.531 3.260 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[NH+](CCC(C)C)CC1)c1ccccc1 ZINC001197809612 1368903062 /nfs/dbraw/zinc/90/30/62/1368903062.db2.gz DEVOXQCHTUEWTL-HXUWFJFHSA-N 2 1 345.531 3.260 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@H+](CCC(C)C)CC1)c1ccccc1 ZINC001197809612 1368903065 /nfs/dbraw/zinc/90/30/65/1368903065.db2.gz DEVOXQCHTUEWTL-HXUWFJFHSA-N 2 1 345.531 3.260 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](CCC(C)C)CC1)c1ccccc1 ZINC001197809612 1368903066 /nfs/dbraw/zinc/90/30/66/1368903066.db2.gz DEVOXQCHTUEWTL-HXUWFJFHSA-N 2 1 345.531 3.260 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CCC[N@@H+](CC2CCC3(CC3)CC2)CC1 ZINC001197869775 1368916337 /nfs/dbraw/zinc/91/63/37/1368916337.db2.gz BFGQUDBEMOGVCB-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001112529870 1368916290 /nfs/dbraw/zinc/91/62/90/1368916290.db2.gz SIQFNQAGXRRJQS-DYXWJJEUSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198135902 1368965625 /nfs/dbraw/zinc/96/56/25/1368965625.db2.gz CFOBNZXTROGDAV-UHFFFAOYSA-N 2 1 337.552 3.367 20 0 EGADMP CCOc1ccc2c(c1)C[N@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)CC2 ZINC001325436435 1387971893 /nfs/dbraw/zinc/97/18/93/1387971893.db2.gz DRJUGPRLWIZZIT-LJQANCHMSA-N 2 1 340.467 3.195 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198243360 1368987465 /nfs/dbraw/zinc/98/74/65/1368987465.db2.gz IMKOSCRPMNYBLR-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001186604327 1387983529 /nfs/dbraw/zinc/98/35/29/1387983529.db2.gz CWOJKGYOQYAMHP-LJQANCHMSA-N 2 1 349.563 3.223 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@@H+](CCC3CC3)CC2)CC1 ZINC001186605910 1387984833 /nfs/dbraw/zinc/98/48/33/1387984833.db2.gz VOHDAHUZIRKZPA-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@@H+](CCC3CC3)CC2)CC1 ZINC001186605909 1387985372 /nfs/dbraw/zinc/98/53/72/1387985372.db2.gz VOHDAHUZIRKZPA-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC001199276862 1369200971 /nfs/dbraw/zinc/20/09/71/1369200971.db2.gz VMTUHCKPSRAQJE-FXAWDEMLSA-N 2 1 343.515 3.133 20 0 EGADMP CCC(CC)C[NH+]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001113156682 1369233470 /nfs/dbraw/zinc/23/34/70/1369233470.db2.gz RQYONAPOHFSLDT-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001113402830 1369401194 /nfs/dbraw/zinc/40/11/94/1369401194.db2.gz GZSOGOKKVCMYCK-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](Cc2ccc(C)cc2)CC1)C(C)C ZINC001113439595 1369429898 /nfs/dbraw/zinc/42/98/98/1369429898.db2.gz JXDNQXOUCLHRIF-HXUWFJFHSA-N 2 1 345.531 3.006 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001201268380 1369507888 /nfs/dbraw/zinc/50/78/88/1369507888.db2.gz YISUJTOUQPFTAW-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001201503386 1369558879 /nfs/dbraw/zinc/55/88/79/1369558879.db2.gz PDKQQXZTIVQJMM-QMMLZNLJSA-N 2 1 334.548 3.493 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201503386 1369558882 /nfs/dbraw/zinc/55/88/82/1369558882.db2.gz PDKQQXZTIVQJMM-QMMLZNLJSA-N 2 1 334.548 3.493 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201503386 1369558884 /nfs/dbraw/zinc/55/88/84/1369558884.db2.gz PDKQQXZTIVQJMM-QMMLZNLJSA-N 2 1 334.548 3.493 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001113680879 1369562037 /nfs/dbraw/zinc/56/20/37/1369562037.db2.gz WGPQNHVEZAUBPD-VOTSOKGWSA-N 2 1 343.515 3.252 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCCc1ccccc1)C2 ZINC001201661083 1369601004 /nfs/dbraw/zinc/60/10/04/1369601004.db2.gz NYTPYRGPHMTHIO-YADHBBJMSA-N 2 1 342.527 3.300 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCCc1ccccc1)C2 ZINC001201661083 1369601011 /nfs/dbraw/zinc/60/10/11/1369601011.db2.gz NYTPYRGPHMTHIO-YADHBBJMSA-N 2 1 342.527 3.300 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCCc1ccccc1)C2 ZINC001201661083 1369601018 /nfs/dbraw/zinc/60/10/18/1369601018.db2.gz NYTPYRGPHMTHIO-YADHBBJMSA-N 2 1 342.527 3.300 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([NH2+]CCC(C)(C)C)CC2)C1 ZINC001202145089 1369700994 /nfs/dbraw/zinc/70/09/94/1369700994.db2.gz RWFNFVIRDZKWNC-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]CCCC3CCCC3)CC2)CC[N@H+]1C ZINC001202178311 1369708697 /nfs/dbraw/zinc/70/86/97/1369708697.db2.gz GRKNQVGJTIYGDV-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001202707848 1369859887 /nfs/dbraw/zinc/85/98/87/1369859887.db2.gz JUSXFDPSQGKHER-KRWDZBQOSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)CCC[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001202757959 1369881446 /nfs/dbraw/zinc/88/14/46/1369881446.db2.gz UOZULTYIJWWYIA-UHFFFAOYSA-N 2 1 348.535 3.413 20 0 EGADMP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001202872255 1369913802 /nfs/dbraw/zinc/91/38/02/1369913802.db2.gz CTBZEQKICLBGJD-MOPGFXCFSA-N 2 1 349.563 3.410 20 0 EGADMP CC/C=C/CC[NH2+]C1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001202973150 1369942559 /nfs/dbraw/zinc/94/25/59/1369942559.db2.gz BOEPURWJAKVJBH-SOFGYWHQSA-N 2 1 337.552 3.435 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)[nH]n1 ZINC001203071841 1369973297 /nfs/dbraw/zinc/97/32/97/1369973297.db2.gz OYZIBWDPUNAYEH-GOSISDBHSA-N 2 1 328.460 3.188 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)n[nH]1 ZINC001203071841 1369973299 /nfs/dbraw/zinc/97/32/99/1369973299.db2.gz OYZIBWDPUNAYEH-GOSISDBHSA-N 2 1 328.460 3.188 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)n[nH]1 ZINC001203071841 1369973300 /nfs/dbraw/zinc/97/33/00/1369973300.db2.gz OYZIBWDPUNAYEH-GOSISDBHSA-N 2 1 328.460 3.188 20 0 EGADMP CC(C)[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203105017 1369984590 /nfs/dbraw/zinc/98/45/90/1369984590.db2.gz VIFJWKNBQWWYLM-SJORKVTESA-N 2 1 335.536 3.065 20 0 EGADMP C[N@H+](Cc1cccc2nonc21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001203137361 1369994956 /nfs/dbraw/zinc/99/49/56/1369994956.db2.gz FWOGCVCGTGTDIK-QGZVFWFLSA-N 2 1 336.439 3.177 20 0 EGADMP C[NH+](Cc1cccc2nonc21)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001203137361 1369994960 /nfs/dbraw/zinc/99/49/60/1369994960.db2.gz FWOGCVCGTGTDIK-QGZVFWFLSA-N 2 1 336.439 3.177 20 0 EGADMP C[NH+](Cc1cccc2nonc21)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001203137361 1369994965 /nfs/dbraw/zinc/99/49/65/1369994965.db2.gz FWOGCVCGTGTDIK-QGZVFWFLSA-N 2 1 336.439 3.177 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114624306 1369998918 /nfs/dbraw/zinc/99/89/18/1369998918.db2.gz PEJLSWITXRMWPM-KXTWHKPSSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001114624306 1369998923 /nfs/dbraw/zinc/99/89/23/1369998923.db2.gz PEJLSWITXRMWPM-KXTWHKPSSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001114624306 1369998926 /nfs/dbraw/zinc/99/89/26/1369998926.db2.gz PEJLSWITXRMWPM-KXTWHKPSSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1cncc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC001203171312 1370008513 /nfs/dbraw/zinc/00/85/13/1370008513.db2.gz UYCCPBQAAVDHLQ-UHFFFAOYSA-N 2 1 336.483 3.273 20 0 EGADMP Cc1cncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001203180525 1370012495 /nfs/dbraw/zinc/01/24/95/1370012495.db2.gz MZEDHNYUDMCBDL-PMACEKPBSA-N 2 1 336.483 3.129 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]Cc2c(C)cc(C)cc2C)CC1 ZINC001203203790 1370024132 /nfs/dbraw/zinc/02/41/32/1370024132.db2.gz QYMGQTJXGUPCPC-UHFFFAOYSA-N 2 1 345.531 3.034 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001203214563 1370027982 /nfs/dbraw/zinc/02/79/82/1370027982.db2.gz LQAHUDYJMVUJML-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCc1nc(C)c(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)[nH]1 ZINC001203241454 1370036260 /nfs/dbraw/zinc/03/62/60/1370036260.db2.gz UAFYWHOKJIAXRD-UHFFFAOYSA-N 3 1 342.487 3.362 20 0 EGADMP CCc1nc(C)c(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)[nH]1 ZINC001203241454 1370036266 /nfs/dbraw/zinc/03/62/66/1370036266.db2.gz UAFYWHOKJIAXRD-UHFFFAOYSA-N 3 1 342.487 3.362 20 0 EGADMP CCc1nc(C)c(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC001203246135 1370037922 /nfs/dbraw/zinc/03/79/22/1370037922.db2.gz CEXXABPSNVWWPW-SFHVURJKSA-N 2 1 326.488 3.234 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc2n[nH]cc21 ZINC001203357637 1370096646 /nfs/dbraw/zinc/09/66/46/1370096646.db2.gz MDFBLBJREFUALB-QFBILLFUSA-N 2 1 334.467 3.421 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21)[NH+](CC)CC ZINC001114828590 1370101124 /nfs/dbraw/zinc/10/11/24/1370101124.db2.gz GUDRXCNFFBEADA-WCIQWLHISA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC001203431471 1370123559 /nfs/dbraw/zinc/12/35/59/1370123559.db2.gz JCVCXOQURBFPHA-JXMROGBWSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+][C@H](C)c2ccccc2)CC1 ZINC001203443414 1370128802 /nfs/dbraw/zinc/12/88/02/1370128802.db2.gz UBZIOUPRYXBEAP-QGZVFWFLSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001114921819 1370151222 /nfs/dbraw/zinc/15/12/22/1370151222.db2.gz UCNODGXDEOLTCE-ZSYWTGECSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114921819 1370151227 /nfs/dbraw/zinc/15/12/27/1370151227.db2.gz UCNODGXDEOLTCE-ZSYWTGECSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114921819 1370151232 /nfs/dbraw/zinc/15/12/32/1370151232.db2.gz UCNODGXDEOLTCE-ZSYWTGECSA-N 2 1 349.563 3.122 20 0 EGADMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C)cc3C)CC2)C1 ZINC001203739321 1370244035 /nfs/dbraw/zinc/24/40/35/1370244035.db2.gz HQDNIOLOHADAJI-LJQANCHMSA-N 2 1 344.499 3.153 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C)cc3C)CC2)C1 ZINC001203739321 1370244039 /nfs/dbraw/zinc/24/40/39/1370244039.db2.gz HQDNIOLOHADAJI-LJQANCHMSA-N 2 1 344.499 3.153 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001115104373 1370281991 /nfs/dbraw/zinc/28/19/91/1370281991.db2.gz ULWAGRHYQJNNET-ISIQMVCTSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001115104373 1370281993 /nfs/dbraw/zinc/28/19/93/1370281993.db2.gz ULWAGRHYQJNNET-ISIQMVCTSA-N 2 1 347.547 3.044 20 0 EGADMP CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001203928103 1370318140 /nfs/dbraw/zinc/31/81/40/1370318140.db2.gz XDCRVSBZRGXQNT-FQEVSTJZSA-N 2 1 329.488 3.485 20 0 EGADMP CC(=O)Oc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)cc1 ZINC001203948431 1370326592 /nfs/dbraw/zinc/32/65/92/1370326592.db2.gz QIEVZFYZGDDAAG-UHFFFAOYSA-N 2 1 339.439 3.054 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CC[C@]1(C)O ZINC001204263112 1370425146 /nfs/dbraw/zinc/42/51/46/1370425146.db2.gz GRMALGYSFQYHBO-PXNSSMCTSA-N 2 1 334.504 3.000 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@]3(C2)CCCCO3)cc1 ZINC001204263518 1370425720 /nfs/dbraw/zinc/42/57/20/1370425720.db2.gz MPBXETVPUSJQSD-FQEVSTJZSA-N 2 1 332.488 3.162 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC(C)(C)C[C@]2(C)CO)cc1 ZINC001204263583 1370426271 /nfs/dbraw/zinc/42/62/71/1370426271.db2.gz NKBBGSUUDOPSLV-HXUWFJFHSA-N 2 1 334.504 3.000 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCCC2)CCCCC1 ZINC001115450981 1370459383 /nfs/dbraw/zinc/45/93/83/1370459383.db2.gz WJVCVYMKMKZFKO-IBGZPJMESA-N 2 1 349.563 3.460 20 0 EGADMP CCc1ccc(CN2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)o1 ZINC001204391131 1370463443 /nfs/dbraw/zinc/46/34/43/1370463443.db2.gz NGZPGTZLXIJKNL-YLJYHZDGSA-N 2 1 332.488 3.022 20 0 EGADMP CCc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)o1 ZINC001204391131 1370463446 /nfs/dbraw/zinc/46/34/46/1370463446.db2.gz NGZPGTZLXIJKNL-YLJYHZDGSA-N 2 1 332.488 3.022 20 0 EGADMP CCc1ccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)o1 ZINC001204391131 1370463449 /nfs/dbraw/zinc/46/34/49/1370463449.db2.gz NGZPGTZLXIJKNL-YLJYHZDGSA-N 2 1 332.488 3.022 20 0 EGADMP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115535488 1370532235 /nfs/dbraw/zinc/53/22/35/1370532235.db2.gz YAPLOYGIMOWHNU-IAGOWNOFSA-N 2 1 341.515 3.016 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536740 1370533367 /nfs/dbraw/zinc/53/33/67/1370533367.db2.gz FXJNEYGACUZTJI-ROUUACIJSA-N 2 1 335.536 3.070 20 0 EGADMP CCCCC[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115537137 1370534119 /nfs/dbraw/zinc/53/41/19/1370534119.db2.gz YAJGYAGCEIFNQF-MOPGFXCFSA-N 2 1 349.563 3.460 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001115545059 1370541832 /nfs/dbraw/zinc/54/18/32/1370541832.db2.gz OVCDNZQHGLSGCI-MRXNPFEDSA-N 2 1 346.519 3.215 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001115562645 1370562223 /nfs/dbraw/zinc/56/22/23/1370562223.db2.gz DJWXJPDKGWRMIP-UBAGTECSSA-N 2 1 341.927 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115562563 1370562420 /nfs/dbraw/zinc/56/24/20/1370562420.db2.gz AAMYZQUGJIPUQY-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP COc1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1OCC1CC1 ZINC001204748278 1370564632 /nfs/dbraw/zinc/56/46/32/1370564632.db2.gz HOISUGCMDZISDR-UHFFFAOYSA-N 2 1 344.499 3.450 20 0 EGADMP CN(c1ccc(F)cc1)c1ccc(C[N@@H+]2CCO[C@H](CC[NH3+])C2)cc1 ZINC001204757506 1370568829 /nfs/dbraw/zinc/56/88/29/1370568829.db2.gz YULAYOYDWOCXDO-HXUWFJFHSA-N 2 1 343.446 3.143 20 0 EGADMP CN(c1ccc(F)cc1)c1ccc(C[N@H+]2CCO[C@H](CC[NH3+])C2)cc1 ZINC001204757506 1370568831 /nfs/dbraw/zinc/56/88/31/1370568831.db2.gz YULAYOYDWOCXDO-HXUWFJFHSA-N 2 1 343.446 3.143 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115573650 1370576578 /nfs/dbraw/zinc/57/65/78/1370576578.db2.gz SFZYBKXFOSPUFF-SFHVURJKSA-N 2 1 337.552 3.458 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001115592172 1370593179 /nfs/dbraw/zinc/59/31/79/1370593179.db2.gz XEQGCSFTSANJLM-MOPGFXCFSA-N 2 1 347.547 3.378 20 0 EGADMP COc1ccc(CC[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cc1OC ZINC001204869996 1370593991 /nfs/dbraw/zinc/59/39/91/1370593991.db2.gz LHOAEULSDJQTIP-UHFFFAOYSA-N 2 1 340.467 3.024 20 0 EGADMP COCOc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1Cl ZINC001205029898 1370633831 /nfs/dbraw/zinc/63/38/31/1370633831.db2.gz VYKBLLWAGLJXFY-UHFFFAOYSA-N 2 1 343.814 3.324 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)Cc2ccccc21 ZINC001205164502 1370666891 /nfs/dbraw/zinc/66/68/91/1370666891.db2.gz GUVFZOGNZKZBQN-GOSISDBHSA-N 2 1 335.495 3.211 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC001205210652 1370682530 /nfs/dbraw/zinc/68/25/30/1370682530.db2.gz QGTOKALCIGMMDM-HXUWFJFHSA-N 2 1 326.440 3.155 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001205248273 1370694976 /nfs/dbraw/zinc/69/49/76/1370694976.db2.gz NUUOKVUEXFRJSA-CQSZACIVSA-N 2 1 337.678 3.323 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001205248273 1370694979 /nfs/dbraw/zinc/69/49/79/1370694979.db2.gz NUUOKVUEXFRJSA-CQSZACIVSA-N 2 1 337.678 3.323 20 0 EGADMP c1cc2c(cccc2C[N@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)[nH]1 ZINC001205263424 1370699634 /nfs/dbraw/zinc/69/96/34/1370699634.db2.gz NVAWIPTXJCXNKX-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3cc(Br)ncc23)CC1 ZINC001205280693 1370705149 /nfs/dbraw/zinc/70/51/49/1370705149.db2.gz GHDJYSCRILRTCQ-HNNXBMFYSA-N 2 1 337.265 3.029 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205285350 1370706806 /nfs/dbraw/zinc/70/68/06/1370706806.db2.gz WGYMHWRWOLKQEQ-JGAFRWBPSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@H]2C)CCCCC1 ZINC001115729715 1370710866 /nfs/dbraw/zinc/71/08/66/1370710866.db2.gz QFVVFABHBHBGPR-PYTPGESOSA-N 2 1 335.536 3.236 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115729946 1370712365 /nfs/dbraw/zinc/71/23/65/1370712365.db2.gz YTOVHGOZNITVEF-QGZVFWFLSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cc(OCc3ccccc3)ccn2)C[C@H]1C[NH3+] ZINC001205303310 1370713953 /nfs/dbraw/zinc/71/39/53/1370713953.db2.gz CMAVKIGSMBVNES-SJLPKXTDSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)ccn2)C[C@H]1C[NH3+] ZINC001205303310 1370713957 /nfs/dbraw/zinc/71/39/57/1370713957.db2.gz CMAVKIGSMBVNES-SJLPKXTDSA-N 2 1 325.456 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001205420263 1370749068 /nfs/dbraw/zinc/74/90/68/1370749068.db2.gz MMRZMTABZNMIOR-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205461349 1370762900 /nfs/dbraw/zinc/76/29/00/1370762900.db2.gz HMNAJUBNBMEKFN-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CCCC(C)C)CCCCC1 ZINC001115805700 1370789328 /nfs/dbraw/zinc/78/93/28/1370789328.db2.gz CBKIGOWTQDHEBB-UHFFFAOYSA-N 2 1 325.541 3.173 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001205483452 1370768312 /nfs/dbraw/zinc/76/83/12/1370768312.db2.gz DVVASTJOAFRHAF-HMECNJMJSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CCC[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001205483829 1370769619 /nfs/dbraw/zinc/76/96/19/1370769619.db2.gz TUUYQUDCDGCJAB-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205518744 1370778809 /nfs/dbraw/zinc/77/88/09/1370778809.db2.gz JLOUPPQGEDKAHV-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001205526141 1370781758 /nfs/dbraw/zinc/78/17/58/1370781758.db2.gz GPDFEWQDVPQFNB-ZMBJWTFHSA-N 2 1 335.536 3.045 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC001205545488 1370787187 /nfs/dbraw/zinc/78/71/87/1370787187.db2.gz IAEQDVOBKBIDBL-UXHICEINSA-N 2 1 333.495 3.194 20 0 EGADMP [NH3+]C[C@]1(F)CCCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001205545488 1370787195 /nfs/dbraw/zinc/78/71/95/1370787195.db2.gz IAEQDVOBKBIDBL-UXHICEINSA-N 2 1 333.495 3.194 20 0 EGADMP [NH3+]C[C@]1(F)CCCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001205545488 1370787202 /nfs/dbraw/zinc/78/72/02/1370787202.db2.gz IAEQDVOBKBIDBL-UXHICEINSA-N 2 1 333.495 3.194 20 0 EGADMP Cc1ccc(Br)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205559449 1370791532 /nfs/dbraw/zinc/79/15/32/1370791532.db2.gz QYXHQCVOCKWJKK-HNNXBMFYSA-N 2 1 329.257 3.410 20 0 EGADMP Cc1ccc(Br)cc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205570469 1370795467 /nfs/dbraw/zinc/79/54/67/1370795467.db2.gz KJMPRHPEXDJBGO-HNNXBMFYSA-N 2 1 329.257 3.410 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cnc(Cl)c(C(F)(F)F)c2)CC1 ZINC001205578664 1370798527 /nfs/dbraw/zinc/79/85/27/1370798527.db2.gz IICSHMVBLCJALY-CYBMUJFWSA-N 2 1 339.764 3.407 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cnc(Cl)c(C(F)(F)F)c2)CC1 ZINC001205578664 1370798532 /nfs/dbraw/zinc/79/85/32/1370798532.db2.gz IICSHMVBLCJALY-CYBMUJFWSA-N 2 1 339.764 3.407 20 0 EGADMP Cc1sc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1Br ZINC001205579190 1370798855 /nfs/dbraw/zinc/79/88/55/1370798855.db2.gz KZQWDTIBWNLPBB-ZDUSSCGKSA-N 2 1 335.286 3.472 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccnc2OCc2ccccc2)CC1 ZINC001205591400 1370802660 /nfs/dbraw/zinc/80/26/60/1370802660.db2.gz LYUYGPXVXCHWGN-FQEVSTJZSA-N 2 1 343.446 3.314 20 0 EGADMP COc1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205591117 1370802783 /nfs/dbraw/zinc/80/27/83/1370802783.db2.gz DTSCBVGONHDOJV-OAHLLOKOSA-N 2 1 334.357 3.367 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2F)CC[C@H]1C[NH3+] ZINC001205601010 1370806974 /nfs/dbraw/zinc/80/69/74/1370806974.db2.gz CUAKVJZAKXOUEW-RYUDHWBXSA-N 2 1 329.257 3.395 20 0 EGADMP COc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205603017 1370807993 /nfs/dbraw/zinc/80/79/93/1370807993.db2.gz MRQQLCCHWJWPBZ-STQMWFEESA-N 2 1 341.293 3.265 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cc(Br)cnc2Cl)CC[C@H]1C[NH3+] ZINC001205618745 1370813500 /nfs/dbraw/zinc/81/35/00/1370813500.db2.gz YQCIAJMBXBJJDH-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc(Br)cnc2Cl)CC[C@H]1C[NH3+] ZINC001205618745 1370813506 /nfs/dbraw/zinc/81/35/06/1370813506.db2.gz YQCIAJMBXBJJDH-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205637406 1370821985 /nfs/dbraw/zinc/82/19/85/1370821985.db2.gz GVUUDQSINJKMGT-HUUCEWRRSA-N 2 1 332.879 3.333 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CC[C@H]1C[NH3+] ZINC001205652437 1370828380 /nfs/dbraw/zinc/82/83/80/1370828380.db2.gz PPYOFZIMUYPARK-NEPJUHHUSA-N 2 1 340.393 3.389 20 0 EGADMP CCSc1ncc2cccc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)n21 ZINC001205651615 1370828639 /nfs/dbraw/zinc/82/86/39/1370828639.db2.gz HKUJQCSQNOMOJU-HUUCEWRRSA-N 2 1 332.517 3.253 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001205673839 1370837454 /nfs/dbraw/zinc/83/74/54/1370837454.db2.gz URBRXMMLHXDZLM-HXUWFJFHSA-N 2 1 328.431 3.168 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)C1 ZINC001205690840 1370843052 /nfs/dbraw/zinc/84/30/52/1370843052.db2.gz XYVZITMKDGPQCY-AWEZNQCLSA-N 2 1 336.785 3.035 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)C1 ZINC001205690840 1370843054 /nfs/dbraw/zinc/84/30/54/1370843054.db2.gz XYVZITMKDGPQCY-AWEZNQCLSA-N 2 1 336.785 3.035 20 0 EGADMP C[C@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC[C@H]1C[NH3+] ZINC001205982558 1370929325 /nfs/dbraw/zinc/92/93/25/1370929325.db2.gz MHTRJWNWDFGGBP-RXVVDRJESA-N 3 1 329.532 3.205 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(F)c2Br)CCC[C@H]1C[NH3+] ZINC001205994081 1370933175 /nfs/dbraw/zinc/93/31/75/1370933175.db2.gz IYWXDASFQPOYOO-RYUDHWBXSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc(F)cc(Br)c2)CCC[C@H]1C[NH3+] ZINC001206003678 1370935686 /nfs/dbraw/zinc/93/56/86/1370935686.db2.gz LATWMKIVZXSGFH-AAEUAGOBSA-N 2 1 329.257 3.395 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1OC(F)(F)F ZINC001206011498 1370938287 /nfs/dbraw/zinc/93/82/87/1370938287.db2.gz CVSJXKOKGROQST-JSGCOSHPSA-N 2 1 346.393 3.401 20 0 EGADMP CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001206023366 1370941417 /nfs/dbraw/zinc/94/14/17/1370941417.db2.gz OCHDSWYWJUIIAI-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc2c1NC(C)(C)C=C2 ZINC001206211660 1370993907 /nfs/dbraw/zinc/99/39/07/1370993907.db2.gz OLAWQLMSNIGDKR-JKSUJKDBSA-N 2 1 333.451 3.174 20 0 EGADMP CC[NH+](CC)C1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001116918698 1371000644 /nfs/dbraw/zinc/00/06/44/1371000644.db2.gz JJRJTJHDHHSISU-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001206292890 1371013858 /nfs/dbraw/zinc/01/38/58/1371013858.db2.gz FKVVGFRUYFEKKG-LEWJYISDSA-N 3 1 329.532 3.350 20 0 EGADMP C[C@@]1(C[NH3+])CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001206292890 1371013864 /nfs/dbraw/zinc/01/38/64/1371013864.db2.gz FKVVGFRUYFEKKG-LEWJYISDSA-N 3 1 329.532 3.350 20 0 EGADMP C[C@@]1(C[NH3+])CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001206292890 1371013872 /nfs/dbraw/zinc/01/38/72/1371013872.db2.gz FKVVGFRUYFEKKG-LEWJYISDSA-N 3 1 329.532 3.350 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001206292890 1371013875 /nfs/dbraw/zinc/01/38/75/1371013875.db2.gz FKVVGFRUYFEKKG-LEWJYISDSA-N 2 1 329.532 3.350 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001206292890 1371013879 /nfs/dbraw/zinc/01/38/79/1371013879.db2.gz FKVVGFRUYFEKKG-LEWJYISDSA-N 2 1 329.532 3.350 20 0 EGADMP Cc1nc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1Br ZINC001206318560 1371019759 /nfs/dbraw/zinc/01/97/59/1371019759.db2.gz RFDLAKOEAVANPO-OAHLLOKOSA-N 2 1 326.282 3.103 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1Br ZINC001206319149 1371019994 /nfs/dbraw/zinc/01/99/94/1371019994.db2.gz YINCFEROODFTSA-MRXNPFEDSA-N 2 1 341.293 3.409 20 0 EGADMP CC(C)Oc1ncc(Cl)cc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206318320 1371020112 /nfs/dbraw/zinc/02/01/12/1371020112.db2.gz PHGWTTNMNURHSE-QGZVFWFLSA-N 2 1 325.884 3.473 20 0 EGADMP Cc1cc(Br)cnc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206318291 1371020462 /nfs/dbraw/zinc/02/04/62/1371020462.db2.gz PADNEXDTQUVKFK-HNNXBMFYSA-N 2 1 326.282 3.103 20 0 EGADMP C[C@@]1(C[NH3+])CCCCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001206540139 1371087597 /nfs/dbraw/zinc/08/75/97/1371087597.db2.gz AMCUNDJFUUSYQR-SFTDATJTSA-N 2 1 329.532 3.492 20 0 EGADMP C[C@]1(C[NH3+])CCCC[N@H+](CCc2cccc(Br)c2)C1 ZINC001206541794 1371087691 /nfs/dbraw/zinc/08/76/91/1371087691.db2.gz KLNPYKFQHOFZMQ-MRXNPFEDSA-N 2 1 325.294 3.443 20 0 EGADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCc2cccc(Br)c2)C1 ZINC001206541794 1371087694 /nfs/dbraw/zinc/08/76/94/1371087694.db2.gz KLNPYKFQHOFZMQ-MRXNPFEDSA-N 2 1 325.294 3.443 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001206602726 1371106275 /nfs/dbraw/zinc/10/62/75/1371106275.db2.gz IXOYCEQRONIYQE-SNAWJCMRSA-N 2 1 346.519 3.156 20 0 EGADMP COc1ccc(-c2ccncc2)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206648641 1371119083 /nfs/dbraw/zinc/11/90/83/1371119083.db2.gz NYTIFBHCITWCMM-INIZCTEOSA-N 2 1 325.456 3.318 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001206952223 1371242399 /nfs/dbraw/zinc/24/23/99/1371242399.db2.gz FCHZWSCDDZFDND-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ncc3ccccn32)o1 ZINC001207050129 1371277186 /nfs/dbraw/zinc/27/71/86/1371277186.db2.gz JSVVPHINRGUNGN-RBUKOAKNSA-N 2 1 336.439 3.085 20 0 EGADMP CCn1ccnc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207147374 1371310126 /nfs/dbraw/zinc/31/01/26/1371310126.db2.gz GCMHZBMZHKGCKR-VQTJNVASSA-N 2 1 338.499 3.247 20 0 EGADMP CCn1ccnc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207147374 1371310128 /nfs/dbraw/zinc/31/01/28/1371310128.db2.gz GCMHZBMZHKGCKR-VQTJNVASSA-N 2 1 338.499 3.247 20 0 EGADMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207147374 1371310133 /nfs/dbraw/zinc/31/01/33/1371310133.db2.gz GCMHZBMZHKGCKR-VQTJNVASSA-N 2 1 338.499 3.247 20 0 EGADMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207147374 1371310139 /nfs/dbraw/zinc/31/01/39/1371310139.db2.gz GCMHZBMZHKGCKR-VQTJNVASSA-N 2 1 338.499 3.247 20 0 EGADMP Cc1nccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001207169348 1371317949 /nfs/dbraw/zinc/31/79/49/1371317949.db2.gz IZBFMICKAJYUGF-PMACEKPBSA-N 2 1 336.483 3.129 20 0 EGADMP Cc1nccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001207169348 1371317955 /nfs/dbraw/zinc/31/79/55/1371317955.db2.gz IZBFMICKAJYUGF-PMACEKPBSA-N 2 1 336.483 3.129 20 0 EGADMP Cc1nccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001207169348 1371317959 /nfs/dbraw/zinc/31/79/59/1371317959.db2.gz IZBFMICKAJYUGF-PMACEKPBSA-N 2 1 336.483 3.129 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207279664 1371348646 /nfs/dbraw/zinc/34/86/46/1371348646.db2.gz OMPJTKMZPIOMDX-UHFFFAOYSA-N 2 1 341.540 3.153 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@H]4CCCO[C@H]4C3)CC2)cc1 ZINC001207288954 1371351978 /nfs/dbraw/zinc/35/19/78/1371351978.db2.gz FJMKUIXTTXHLQX-RTWAWAEBSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@H](N4CCCCC4)C3)CC2)cc1 ZINC001207291807 1371352290 /nfs/dbraw/zinc/35/22/90/1371352290.db2.gz YXDFHBQSQIQSGP-QFIPXVFZSA-N 2 1 341.543 3.459 20 0 EGADMP c1ccc(C[NH+]2CCC(CN3CC[C@H]([NH+]4CCCCC4)C3)CC2)cc1 ZINC001207291807 1371352295 /nfs/dbraw/zinc/35/22/95/1371352295.db2.gz YXDFHBQSQIQSGP-QFIPXVFZSA-N 2 1 341.543 3.459 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C[C@H]3CCOC(C)(C)C3)C2)C1 ZINC001207354322 1371370848 /nfs/dbraw/zinc/37/08/48/1371370848.db2.gz LMRJHUOXILCTCE-ICSRJNTNSA-N 2 1 338.536 3.014 20 0 EGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C[C@H]3CCOC(C)(C)C3)C2)C1 ZINC001207354322 1371370853 /nfs/dbraw/zinc/37/08/53/1371370853.db2.gz LMRJHUOXILCTCE-ICSRJNTNSA-N 2 1 338.536 3.014 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C[C@H]3CCOC(C)(C)C3)C2)C1 ZINC001207354322 1371370856 /nfs/dbraw/zinc/37/08/56/1371370856.db2.gz LMRJHUOXILCTCE-ICSRJNTNSA-N 2 1 338.536 3.014 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C[C@H]3CCOC(C)(C)C3)C2)C1 ZINC001207354322 1371370860 /nfs/dbraw/zinc/37/08/60/1371370860.db2.gz LMRJHUOXILCTCE-ICSRJNTNSA-N 2 1 338.536 3.014 20 0 EGADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207399187 1371383587 /nfs/dbraw/zinc/38/35/87/1371383587.db2.gz GYKLJJSLZQRSHL-UHFFFAOYSA-N 3 1 333.495 3.064 20 0 EGADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207399187 1371383590 /nfs/dbraw/zinc/38/35/90/1371383590.db2.gz GYKLJJSLZQRSHL-UHFFFAOYSA-N 3 1 333.495 3.064 20 0 EGADMP C[NH+]1CCC(CN2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001207399839 1371385380 /nfs/dbraw/zinc/38/53/80/1371385380.db2.gz VYVLJAYLFNPEJV-DXBBTUNJSA-N 2 1 343.559 3.223 20 0 EGADMP COc1cccc(CC[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c1 ZINC001207427594 1371393267 /nfs/dbraw/zinc/39/32/67/1371393267.db2.gz CQZVASNMXUWRHS-UHFFFAOYSA-N 2 1 325.456 3.180 20 0 EGADMP CC(C)CN1c2ccccc2[C@@H]2C[N@H+](CC3CC[NH2+]CC3)CC[C@@H]21 ZINC001207436390 1371395531 /nfs/dbraw/zinc/39/55/31/1371395531.db2.gz AZPFJHQNCZVXBA-FPOVZHCZSA-N 2 1 327.516 3.320 20 0 EGADMP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@H]2CCCOC2)CC3)c1 ZINC001207464975 1371402663 /nfs/dbraw/zinc/40/26/63/1371402663.db2.gz UDQCVFIPHUXEQG-QGZVFWFLSA-N 2 1 334.529 3.463 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001119989411 1371444534 /nfs/dbraw/zinc/44/45/34/1371444534.db2.gz LENWBUZLRSMOBD-LJQANCHMSA-N 2 1 349.563 3.460 20 0 EGADMP CC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CCCCC1 ZINC001119994002 1371446768 /nfs/dbraw/zinc/44/67/68/1371446768.db2.gz YOKYUSPPYLSZMB-GOSISDBHSA-N 2 1 331.504 3.108 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207616634 1371453310 /nfs/dbraw/zinc/45/33/10/1371453310.db2.gz BZUVBYHFFNSMEI-YZGWKJHDSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001207616634 1371453312 /nfs/dbraw/zinc/45/33/12/1371453312.db2.gz BZUVBYHFFNSMEI-YZGWKJHDSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001207616634 1371453314 /nfs/dbraw/zinc/45/33/14/1371453314.db2.gz BZUVBYHFFNSMEI-YZGWKJHDSA-N 2 1 347.547 3.188 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001120141397 1371494256 /nfs/dbraw/zinc/49/42/56/1371494256.db2.gz WSVQFWXUFVJQOE-UHFFFAOYSA-N 2 1 346.519 3.181 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CCCCC1 ZINC001120212795 1371506447 /nfs/dbraw/zinc/50/64/47/1371506447.db2.gz AUFPSNPLSQDHAN-IBGZPJMESA-N 2 1 345.531 3.498 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C[C@H](C)c1ccccc1)C2 ZINC001207904309 1371532989 /nfs/dbraw/zinc/53/29/89/1371532989.db2.gz CPKCATFLABDOFA-BWAGFHJFSA-N 2 1 342.527 3.470 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C[C@H](C)c1ccccc1)C2 ZINC001207904309 1371532993 /nfs/dbraw/zinc/53/29/93/1371532993.db2.gz CPKCATFLABDOFA-BWAGFHJFSA-N 2 1 342.527 3.470 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C[C@H](C)c1ccccc1)C2 ZINC001207904309 1371532995 /nfs/dbraw/zinc/53/29/95/1371532995.db2.gz CPKCATFLABDOFA-BWAGFHJFSA-N 2 1 342.527 3.470 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120421878 1371569808 /nfs/dbraw/zinc/56/98/08/1371569808.db2.gz FUWGOCPWZBSCRX-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120459542 1371583628 /nfs/dbraw/zinc/58/36/28/1371583628.db2.gz NDACKADVZKAQGR-JGAFRWBPSA-N 2 1 347.547 3.142 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208114309 1371599787 /nfs/dbraw/zinc/59/97/87/1371599787.db2.gz NBQHTKNXEOCEHW-PWBPZBFBSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001120583099 1371624345 /nfs/dbraw/zinc/62/43/45/1371624345.db2.gz NJADFQXBUWQGBQ-ZDUSSCGKSA-N 2 1 339.430 3.003 20 0 EGADMP Cc1ccnc(O[C@H]2CCC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)c1 ZINC001208189610 1371631311 /nfs/dbraw/zinc/63/13/11/1371631311.db2.gz VYZLCCOGVBKZNB-SFHVURJKSA-N 2 1 331.504 3.355 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001208280006 1371695556 /nfs/dbraw/zinc/69/55/56/1371695556.db2.gz XHODLDFIXRHPEF-KAGICYHLSA-N 2 1 335.536 3.188 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208334281 1371722385 /nfs/dbraw/zinc/72/23/85/1371722385.db2.gz HQSJZEUMTAERDX-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001208448016 1371769994 /nfs/dbraw/zinc/76/99/94/1371769994.db2.gz TVCVDJKGWCQIFO-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC1CCCC1)C2 ZINC001120834551 1371778037 /nfs/dbraw/zinc/77/80/37/1371778037.db2.gz KSDQHTSKLUYIAM-FCOWATRHSA-N 2 1 347.547 3.068 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208474167 1371781169 /nfs/dbraw/zinc/78/11/69/1371781169.db2.gz JIYNBMYIBFARLC-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN2CCC[NH+]3CCC[C@H]3C2)cc1 ZINC001208588699 1371829603 /nfs/dbraw/zinc/82/96/03/1371829603.db2.gz KPNKVKWRBBKURD-SFTDATJTSA-N 2 1 327.516 3.211 20 0 EGADMP c1ccc(C[NH+]2CCCC[C@H]2CN2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001208588699 1371829605 /nfs/dbraw/zinc/82/96/05/1371829605.db2.gz KPNKVKWRBBKURD-SFTDATJTSA-N 2 1 327.516 3.211 20 0 EGADMP c1ccc(C[NH+]2CCCC[C@H]2CN2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC001208588699 1371829608 /nfs/dbraw/zinc/82/96/08/1371829608.db2.gz KPNKVKWRBBKURD-SFTDATJTSA-N 2 1 327.516 3.211 20 0 EGADMP C[N@H+]1CC[C@]2(CCN(C[C@H]3CCCC[NH+]3Cc3ccccc3)C2)C1 ZINC001208589947 1371829658 /nfs/dbraw/zinc/82/96/58/1371829658.db2.gz AVAYRMAGKKSHFC-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CC[C@]2(CCN(C[C@H]3CCCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001208589947 1371829663 /nfs/dbraw/zinc/82/96/63/1371829663.db2.gz AVAYRMAGKKSHFC-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CC[C@]2(CCN(C[C@H]3CCCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001208589947 1371829665 /nfs/dbraw/zinc/82/96/65/1371829665.db2.gz AVAYRMAGKKSHFC-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1CCN(C[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001208590038 1371832058 /nfs/dbraw/zinc/83/20/58/1371832058.db2.gz BPEZWZVZDTZJBE-SFTDATJTSA-N 2 1 329.532 3.456 20 0 EGADMP CC(C)[NH+](C)[C@H]1CCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001208590038 1371832059 /nfs/dbraw/zinc/83/20/59/1371832059.db2.gz BPEZWZVZDTZJBE-SFTDATJTSA-N 2 1 329.532 3.456 20 0 EGADMP CC(C)[NH+](C)[C@H]1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208590038 1371832064 /nfs/dbraw/zinc/83/20/64/1371832064.db2.gz BPEZWZVZDTZJBE-SFTDATJTSA-N 2 1 329.532 3.456 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](C)N(C(=O)OC(C)(C)C)CC2)CC1 ZINC001208593442 1371832708 /nfs/dbraw/zinc/83/27/08/1371832708.db2.gz SHMOTFGCVDCILE-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC1CC[NH+](CC)CC1 ZINC001208597323 1371835361 /nfs/dbraw/zinc/83/53/61/1371835361.db2.gz GHZUVNROHFZLIZ-KRWDZBQOSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@H+]1CCC[C@@H](CN2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)C1 ZINC001208618097 1371843193 /nfs/dbraw/zinc/84/31/93/1371843193.db2.gz RQVOGDQXGXKEEP-WIYYLYMNSA-N 2 1 327.516 3.023 20 0 EGADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001208618796 1371844346 /nfs/dbraw/zinc/84/43/46/1371844346.db2.gz RUYFYVZNXNWPCW-VQIMIIECSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001208618796 1371844351 /nfs/dbraw/zinc/84/43/51/1371844351.db2.gz RUYFYVZNXNWPCW-VQIMIIECSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001208618796 1371844357 /nfs/dbraw/zinc/84/43/57/1371844357.db2.gz RUYFYVZNXNWPCW-VQIMIIECSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001208618796 1371844359 /nfs/dbraw/zinc/84/43/59/1371844359.db2.gz RUYFYVZNXNWPCW-VQIMIIECSA-N 2 1 339.524 3.050 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001208735322 1371879221 /nfs/dbraw/zinc/87/92/21/1371879221.db2.gz LBFRULJWWIOEMG-WOJBJXKFSA-N 2 1 331.504 3.041 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001208735322 1371879226 /nfs/dbraw/zinc/87/92/26/1371879226.db2.gz LBFRULJWWIOEMG-WOJBJXKFSA-N 2 1 331.504 3.041 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001208735322 1371879230 /nfs/dbraw/zinc/87/92/30/1371879230.db2.gz LBFRULJWWIOEMG-WOJBJXKFSA-N 2 1 331.504 3.041 20 0 EGADMP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001121194208 1371885072 /nfs/dbraw/zinc/88/50/72/1371885072.db2.gz OSIACALRUQZOQH-ODLLKVOJSA-N 2 1 347.547 3.234 20 0 EGADMP CC1CC(C[NH2+][C@H]2CCCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001208760200 1371886999 /nfs/dbraw/zinc/88/69/99/1371886999.db2.gz XOOINMNVWUHULV-ACBHZAAOSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121233942 1371902928 /nfs/dbraw/zinc/90/29/28/1371902928.db2.gz UFGOSLGRFUGTQR-CGAYHSHTSA-N 2 1 349.563 3.312 20 0 EGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](CCCc2ccccc2OC)CC1 ZINC001208839780 1371911757 /nfs/dbraw/zinc/91/17/57/1371911757.db2.gz ZBGMMBNZIXHQPM-FQEVSTJZSA-N 2 1 346.515 3.203 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](CCCc2ccccc2OC)CC1 ZINC001208839780 1371911773 /nfs/dbraw/zinc/91/17/73/1371911773.db2.gz ZBGMMBNZIXHQPM-FQEVSTJZSA-N 2 1 346.515 3.203 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001121261480 1371912430 /nfs/dbraw/zinc/91/24/30/1371912430.db2.gz WPVUOIAPXCQDAY-WZXTXQKWSA-N 2 1 335.536 3.068 20 0 EGADMP CCCCCC[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001121261080 1371912899 /nfs/dbraw/zinc/91/28/99/1371912899.db2.gz OGJOZFQDHCCOBB-MBEFBZSESA-N 2 1 349.563 3.458 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001121325711 1371937809 /nfs/dbraw/zinc/93/78/09/1371937809.db2.gz LVGMKZGJATWXEE-MDZDMXLPSA-N 2 1 349.563 3.480 20 0 EGADMP CCC(=O)C(C)(C)C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001208921491 1371945998 /nfs/dbraw/zinc/94/59/98/1371945998.db2.gz LJLIHTVKUSRCGS-RBUKOAKNSA-N 2 1 328.500 3.446 20 0 EGADMP CCC(=O)C(C)(C)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001208921491 1371946001 /nfs/dbraw/zinc/94/60/01/1371946001.db2.gz LJLIHTVKUSRCGS-RBUKOAKNSA-N 2 1 328.500 3.446 20 0 EGADMP CCC(=O)C(C)(C)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001208921491 1371946005 /nfs/dbraw/zinc/94/60/05/1371946005.db2.gz LJLIHTVKUSRCGS-RBUKOAKNSA-N 2 1 328.500 3.446 20 0 EGADMP CCC(=O)C(C)(C)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001208921491 1371946009 /nfs/dbraw/zinc/94/60/09/1371946009.db2.gz LJLIHTVKUSRCGS-RBUKOAKNSA-N 2 1 328.500 3.446 20 0 EGADMP CC[NH+](CC)[C@@H]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940489 1371953036 /nfs/dbraw/zinc/95/30/36/1371953036.db2.gz SIGITJFUWSRHDY-LEWJYISDSA-N 2 1 329.532 3.315 20 0 EGADMP CC(C)[N@@H+](C)[C@@H]1CCN(C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208946332 1371959241 /nfs/dbraw/zinc/95/92/41/1371959241.db2.gz UVTPMKFGXHIVPV-NHCUHLMSSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[NH+](C)[C@@H]1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208946332 1371959244 /nfs/dbraw/zinc/95/92/44/1371959244.db2.gz UVTPMKFGXHIVPV-NHCUHLMSSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[NH+](C)[C@@H]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208946332 1371959245 /nfs/dbraw/zinc/95/92/45/1371959245.db2.gz UVTPMKFGXHIVPV-NHCUHLMSSA-N 2 1 329.532 3.313 20 0 EGADMP F[C@H]1COC2(C1)CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208952980 1371960159 /nfs/dbraw/zinc/96/01/59/1371960159.db2.gz NBLOXYPGPLVBIA-RTBURBONSA-N 2 1 332.463 3.102 20 0 EGADMP c1csc(C[NH+]2C[C@@H]3C[NH+](CCCc4cccnc4)C[C@H]3C2)c1 ZINC001209175042 1372024519 /nfs/dbraw/zinc/02/45/19/1372024519.db2.gz YPECIZRVBFCXQB-ROUUACIJSA-N 2 1 327.497 3.140 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC=C(C)C)C3)C1 ZINC001121618099 1372027820 /nfs/dbraw/zinc/02/78/20/1372027820.db2.gz YNFBWZMSVYHASP-GGQJKKPXSA-N 2 1 347.547 3.092 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209223921 1372042118 /nfs/dbraw/zinc/04/21/18/1372042118.db2.gz XDTYLNVUJKZHNU-QUCCMNQESA-N 2 1 347.547 3.330 20 0 EGADMP FC(F)(F)c1ccccc1CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001209280676 1372057302 /nfs/dbraw/zinc/05/73/02/1372057302.db2.gz VNDWESGCAUOGIY-UHFFFAOYSA-N 2 1 335.373 3.465 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001121767565 1372074530 /nfs/dbraw/zinc/07/45/30/1372074530.db2.gz HLCDSLCSSQUEIW-OZSJIWHNSA-N 2 1 347.547 3.234 20 0 EGADMP C[C@@H]1C[C@@H]1C[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001209417832 1372100458 /nfs/dbraw/zinc/10/04/58/1372100458.db2.gz XGBSVAAUGOUYAK-HZPDHXFCSA-N 2 1 325.456 3.321 20 0 EGADMP C[C@@H]1C[C@@H]1C[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001209417832 1372100463 /nfs/dbraw/zinc/10/04/63/1372100463.db2.gz XGBSVAAUGOUYAK-HZPDHXFCSA-N 2 1 325.456 3.321 20 0 EGADMP C[C@@H]1C[C@@H]1C[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001209417832 1372100465 /nfs/dbraw/zinc/10/04/65/1372100465.db2.gz XGBSVAAUGOUYAK-HZPDHXFCSA-N 2 1 325.456 3.321 20 0 EGADMP C[C@@H]1C[C@@H]1C[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001209417832 1372100468 /nfs/dbraw/zinc/10/04/68/1372100468.db2.gz XGBSVAAUGOUYAK-HZPDHXFCSA-N 2 1 325.456 3.321 20 0 EGADMP c1ccc2c(c1)CC[N@H+](C1CCN(CCC[NH+]3CCCCC3)CC1)C2 ZINC001209450027 1372109312 /nfs/dbraw/zinc/10/93/12/1372109312.db2.gz FAQXGFBIUPQIMD-UHFFFAOYSA-N 2 1 341.543 3.385 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001209477959 1372117321 /nfs/dbraw/zinc/11/73/21/1372117321.db2.gz NEOUNYIEPNYFQF-AJWBFMOXSA-N 2 1 343.515 3.155 20 0 EGADMP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)[nH]1 ZINC001209571775 1372139837 /nfs/dbraw/zinc/13/98/37/1372139837.db2.gz LNEHTSZFRNRBKA-SFHVURJKSA-N 2 1 343.471 3.172 20 0 EGADMP Cn1nc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c2ccccc21 ZINC001209583118 1372142334 /nfs/dbraw/zinc/14/23/34/1372142334.db2.gz GAASXGMIJLTMDA-DLBZAZTESA-N 2 1 326.488 3.412 20 0 EGADMP Cn1nc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c2ccccc21 ZINC001209583118 1372142336 /nfs/dbraw/zinc/14/23/36/1372142336.db2.gz GAASXGMIJLTMDA-DLBZAZTESA-N 2 1 326.488 3.412 20 0 EGADMP Cn1nc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c2ccccc21 ZINC001209583118 1372142337 /nfs/dbraw/zinc/14/23/37/1372142337.db2.gz GAASXGMIJLTMDA-DLBZAZTESA-N 2 1 326.488 3.412 20 0 EGADMP Cn1nc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c2ccccc21 ZINC001209583118 1372142340 /nfs/dbraw/zinc/14/23/40/1372142340.db2.gz GAASXGMIJLTMDA-DLBZAZTESA-N 2 1 326.488 3.412 20 0 EGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2c[nH]c3ncc(Cl)cc23)CC1 ZINC001209605258 1372150175 /nfs/dbraw/zinc/15/01/75/1372150175.db2.gz SEIXTSZIRCTNBE-UHFFFAOYSA-N 2 1 341.846 3.242 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001209632926 1372156871 /nfs/dbraw/zinc/15/68/71/1372156871.db2.gz PETJWGUVXUFHNS-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122055379 1372164002 /nfs/dbraw/zinc/16/40/02/1372164002.db2.gz BPQCIVVTAKCUCG-YQTQZHKRSA-N 2 1 349.563 3.027 20 0 EGADMP CC(C)C[C@H](C)C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209892617 1372225274 /nfs/dbraw/zinc/22/52/74/1372225274.db2.gz WNIZKVYWOGBXSE-ROUUACIJSA-N 2 1 348.535 3.269 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001210183325 1372290133 /nfs/dbraw/zinc/29/01/33/1372290133.db2.gz OEZDEAACDJAXTB-CTWPCTMYSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1C ZINC001210235894 1372301378 /nfs/dbraw/zinc/30/13/78/1372301378.db2.gz GXASYTMEAQGQTD-ISIQUDIPSA-N 2 1 343.943 3.078 20 0 EGADMP CCCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001210493247 1372365881 /nfs/dbraw/zinc/36/58/81/1372365881.db2.gz KETLDNFNFWYMNE-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001210492872 1372366112 /nfs/dbraw/zinc/36/61/12/1372366112.db2.gz FDDVFNOEYKIQGK-RTBURBONSA-N 2 1 345.531 3.287 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC=C(C)C)C1 ZINC001210586528 1372385196 /nfs/dbraw/zinc/38/51/96/1372385196.db2.gz XVYBFZNFNZMTKH-MOPGFXCFSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001210772874 1372424279 /nfs/dbraw/zinc/42/42/79/1372424279.db2.gz CBDPDEMALZKPBT-WUTDNEBXSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001210772818 1372424451 /nfs/dbraw/zinc/42/44/51/1372424451.db2.gz AUGNQKXEMXGPRH-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001210783485 1372426268 /nfs/dbraw/zinc/42/62/68/1372426268.db2.gz TXDLOLQUYMGIJX-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001210784407 1372426299 /nfs/dbraw/zinc/42/62/99/1372426299.db2.gz ZSAFVUUFOGMDRZ-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001210796961 1372427890 /nfs/dbraw/zinc/42/78/90/1372427890.db2.gz MFGXBLWLRNBUGO-IBGZPJMESA-N 2 1 335.536 3.189 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094544 1372484725 /nfs/dbraw/zinc/48/47/25/1372484725.db2.gz FEYPLJLTFKKZDV-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001326468075 1388203413 /nfs/dbraw/zinc/20/34/13/1388203413.db2.gz JPJMWUGFRNUDMX-XLIONFOSSA-N 2 1 343.515 3.404 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211267782 1372516488 /nfs/dbraw/zinc/51/64/88/1372516488.db2.gz CMLYDCMKMWHQOI-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211267780 1372516682 /nfs/dbraw/zinc/51/66/82/1372516682.db2.gz CMLYDCMKMWHQOI-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP CCCc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001211276056 1372518729 /nfs/dbraw/zinc/51/87/29/1372518729.db2.gz DHEVHHDHFZYBGU-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211374527 1372543275 /nfs/dbraw/zinc/54/32/75/1372543275.db2.gz HLNZFARGLLQOAZ-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP COc1cc(F)cc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1 ZINC001212145118 1372664254 /nfs/dbraw/zinc/66/42/54/1372664254.db2.gz LHRFYRFVHLJSBH-HNNXBMFYSA-N 2 1 336.411 3.052 20 0 EGADMP CCCCC[C@H]([NH3+])c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1 ZINC001212273483 1372681182 /nfs/dbraw/zinc/68/11/82/1372681182.db2.gz WRBWYMIRMVFXCY-INIZCTEOSA-N 2 1 343.475 3.069 20 0 EGADMP C[NH+](C)CCOc1cccc(Nc2ccc3c(c2)C[N@H+](C)CC3)c1 ZINC001212809648 1372777893 /nfs/dbraw/zinc/77/78/93/1372777893.db2.gz BULFQDMXWRQJKQ-UHFFFAOYSA-N 2 1 325.456 3.359 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214852821 1373130439 /nfs/dbraw/zinc/13/04/39/1373130439.db2.gz KFCCYIOVKSSEPI-NZSAHSFTSA-N 2 1 337.552 3.122 20 0 EGADMP C[N@@H+](CC(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1)C1CCC1 ZINC001129535348 1373394951 /nfs/dbraw/zinc/39/49/51/1373394951.db2.gz NWICLLIYBFRYRN-UHFFFAOYSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@@H]1CC[NH2+][C@@H](c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)C1 ZINC001217703645 1373490579 /nfs/dbraw/zinc/49/05/79/1373490579.db2.gz WLYDDDILXGKJDJ-HYVNUMGLSA-N 2 1 326.444 3.120 20 0 EGADMP C[C@@H]1CC[NH2+][C@@H](c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)C1 ZINC001217703645 1373490581 /nfs/dbraw/zinc/49/05/81/1373490581.db2.gz WLYDDDILXGKJDJ-HYVNUMGLSA-N 2 1 326.444 3.120 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](CO[C@@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC001217813758 1373503963 /nfs/dbraw/zinc/50/39/63/1373503963.db2.gz NOIHZFXNUZGQPN-MXEMCNAFSA-N 2 1 328.500 3.303 20 0 EGADMP C[C@H](OCCC[C@@H]1CCC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001217868677 1373508272 /nfs/dbraw/zinc/50/82/72/1373508272.db2.gz KUZQZEPNLURADQ-IRFCIJBXSA-N 2 1 346.515 3.072 20 0 EGADMP C[C@H](OCCC[C@@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001217868677 1373508275 /nfs/dbraw/zinc/50/82/75/1373508275.db2.gz KUZQZEPNLURADQ-IRFCIJBXSA-N 2 1 346.515 3.072 20 0 EGADMP C[NH+](C)Cc1cc(O[C@H]2CCCC[NH2+]C2)ccc1Br ZINC001217970910 1373521996 /nfs/dbraw/zinc/52/19/96/1373521996.db2.gz QSEQIIXAHBJWQY-AWEZNQCLSA-N 2 1 327.266 3.032 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001130622356 1373570532 /nfs/dbraw/zinc/57/05/32/1373570532.db2.gz FFICQNDDXUUOOY-UHFFFAOYSA-N 2 1 335.536 3.236 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)c1ccccc1F ZINC001130622369 1373570584 /nfs/dbraw/zinc/57/05/84/1373570584.db2.gz FSFZYXAXGZXWEJ-OAHLLOKOSA-N 2 1 349.494 3.246 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130622305 1373570946 /nfs/dbraw/zinc/57/09/46/1373570946.db2.gz CCFLMMFODDGXKR-MRXNPFEDSA-N 2 1 325.541 3.027 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)c1ccc(F)cc1 ZINC001130622665 1373571699 /nfs/dbraw/zinc/57/16/99/1373571699.db2.gz TZWXIEXKSXWQBW-HNNXBMFYSA-N 2 1 349.494 3.246 20 0 EGADMP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001221560695 1373781770 /nfs/dbraw/zinc/78/17/70/1373781770.db2.gz BAYRGSOOIVQDGU-RCCFBDPRSA-N 2 1 346.519 3.120 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001221560695 1373781773 /nfs/dbraw/zinc/78/17/73/1373781773.db2.gz BAYRGSOOIVQDGU-RCCFBDPRSA-N 2 1 346.519 3.120 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccccc1F ZINC001131822473 1373823678 /nfs/dbraw/zinc/82/36/78/1373823678.db2.gz OLBPVSBVIJWNRI-MRXNPFEDSA-N 2 1 349.494 3.247 20 0 EGADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ccc(C[NH+](C)C)cc2)C1 ZINC001225333404 1375105657 /nfs/dbraw/zinc/10/56/57/1375105657.db2.gz PKXZTXMRVJUNLR-QFBILLFUSA-N 2 1 325.456 3.358 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCC1=CCCCC1 ZINC001132106451 1375151299 /nfs/dbraw/zinc/15/12/99/1375151299.db2.gz UOQYTPYXMOOLQW-HKUYNNGSSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCC1=CCCCC1 ZINC001132106451 1375151300 /nfs/dbraw/zinc/15/13/00/1375151300.db2.gz UOQYTPYXMOOLQW-HKUYNNGSSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCC1=CCCCC1 ZINC001132106451 1375151301 /nfs/dbraw/zinc/15/13/01/1375151301.db2.gz UOQYTPYXMOOLQW-HKUYNNGSSA-N 2 1 347.547 3.330 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC2CCCC2)C1 ZINC001132153154 1375173137 /nfs/dbraw/zinc/17/31/37/1375173137.db2.gz NTASNLJIDYLYSC-SJLPKXTDSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2CCCC2)C1 ZINC001132153154 1375173139 /nfs/dbraw/zinc/17/31/39/1375173139.db2.gz NTASNLJIDYLYSC-SJLPKXTDSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC2CCCC2)C1 ZINC001132153154 1375173143 /nfs/dbraw/zinc/17/31/43/1375173143.db2.gz NTASNLJIDYLYSC-SJLPKXTDSA-N 2 1 337.552 3.266 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001226332827 1375240884 /nfs/dbraw/zinc/24/08/84/1375240884.db2.gz BEHNLJZTOZPFOB-WPXWLTIGSA-N 2 1 349.563 3.480 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001226340457 1375243564 /nfs/dbraw/zinc/24/35/64/1375243564.db2.gz COLPPQGEPPBQPG-WJFTUGDTSA-N 2 1 337.552 3.314 20 0 EGADMP Cc1cc(C)cc(C[N@@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)c1 ZINC001132249452 1375244235 /nfs/dbraw/zinc/24/42/35/1375244235.db2.gz PCBCSMZLYLCMND-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCc1ccccc1C[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132270260 1375258115 /nfs/dbraw/zinc/25/81/15/1375258115.db2.gz RNYUZMJCJOANFG-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC/C=C\c1ccccc1 ZINC001132277369 1375261288 /nfs/dbraw/zinc/26/12/88/1375261288.db2.gz GEAYPWXZTBUWSG-GDSCYZHGSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2CC2)C1 ZINC001132335863 1375316460 /nfs/dbraw/zinc/31/64/60/1375316460.db2.gz VLCATRPMERHOCL-WMZOPIPTSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC2CC2)C1 ZINC001132335863 1375316465 /nfs/dbraw/zinc/31/64/65/1375316465.db2.gz VLCATRPMERHOCL-WMZOPIPTSA-N 2 1 346.519 3.166 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132339309 1375317793 /nfs/dbraw/zinc/31/77/93/1375317793.db2.gz DPNYFWZTWSMKMS-FYVKXAJJSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132339311 1375318769 /nfs/dbraw/zinc/31/87/69/1375318769.db2.gz DPNYFWZTWSMKMS-IBMJZYDUSA-N 2 1 335.536 3.044 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132411070 1375359956 /nfs/dbraw/zinc/35/99/56/1375359956.db2.gz SJZCXBYSWRLJTH-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001132411070 1375359965 /nfs/dbraw/zinc/35/99/65/1375359965.db2.gz SJZCXBYSWRLJTH-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001132411070 1375359969 /nfs/dbraw/zinc/35/99/69/1375359969.db2.gz SJZCXBYSWRLJTH-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001132426243 1375372315 /nfs/dbraw/zinc/37/23/15/1375372315.db2.gz UNIAMAYAMWKJIT-YMPXZSTISA-N 2 1 344.503 3.087 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001132426243 1375372326 /nfs/dbraw/zinc/37/23/26/1375372326.db2.gz UNIAMAYAMWKJIT-YMPXZSTISA-N 2 1 344.503 3.087 20 0 EGADMP CC(C)CC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132494968 1375424514 /nfs/dbraw/zinc/42/45/14/1375424514.db2.gz ZMNLOHUXGJQGAP-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132518130 1375435594 /nfs/dbraw/zinc/43/55/94/1375435594.db2.gz IWGPDEBYSKICDG-HKUYNNGSSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001132518130 1375435599 /nfs/dbraw/zinc/43/55/99/1375435599.db2.gz IWGPDEBYSKICDG-HKUYNNGSSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001132518130 1375435601 /nfs/dbraw/zinc/43/56/01/1375435601.db2.gz IWGPDEBYSKICDG-HKUYNNGSSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC001132519264 1375436784 /nfs/dbraw/zinc/43/67/84/1375436784.db2.gz VUPQMNVRKPBAOP-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP CCc1ccc(C[N@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)cc1 ZINC001132519443 1375437554 /nfs/dbraw/zinc/43/75/54/1375437554.db2.gz YYBJBASZNARWMU-YLJYHZDGSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1ccc(C[NH+]2C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]2C)cc1 ZINC001132519443 1375437557 /nfs/dbraw/zinc/43/75/57/1375437557.db2.gz YYBJBASZNARWMU-YLJYHZDGSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1ccc(C[NH+]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]2C)cc1 ZINC001132519443 1375437560 /nfs/dbraw/zinc/43/75/60/1375437560.db2.gz YYBJBASZNARWMU-YLJYHZDGSA-N 2 1 345.531 3.058 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](C/C=C/c2ccccc2)C1 ZINC001132521851 1375438003 /nfs/dbraw/zinc/43/80/03/1375438003.db2.gz IBABVRWLHFKOAV-FFQNAWCLSA-N 2 1 343.515 3.009 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](C/C=C/c2ccccc2)C1 ZINC001132521851 1375438005 /nfs/dbraw/zinc/43/80/05/1375438005.db2.gz IBABVRWLHFKOAV-FFQNAWCLSA-N 2 1 343.515 3.009 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](C/C=C/c2ccccc2)C1 ZINC001132521851 1375438006 /nfs/dbraw/zinc/43/80/06/1375438006.db2.gz IBABVRWLHFKOAV-FFQNAWCLSA-N 2 1 343.515 3.009 20 0 EGADMP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001227792265 1375474966 /nfs/dbraw/zinc/47/49/66/1375474966.db2.gz MNMYLZBBAPPGMD-RURPWVQCSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001227867215 1375484042 /nfs/dbraw/zinc/48/40/42/1375484042.db2.gz CCYVIYLXGJQARK-PXNSSMCTSA-N 2 1 343.515 3.203 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+](CC2CCC(C)CC2)CC1 ZINC001228065597 1375513928 /nfs/dbraw/zinc/51/39/28/1375513928.db2.gz RPESTCICNCWUJZ-UHFFFAOYSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](C)C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001230016623 1375931499 /nfs/dbraw/zinc/93/14/99/1375931499.db2.gz QRGIXAXEFOCXRJ-FXAWDEMLSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC001230107791 1375944725 /nfs/dbraw/zinc/94/47/25/1375944725.db2.gz YBTQYOSAIIKTQE-GOSISDBHSA-N 2 1 345.531 3.369 20 0 EGADMP Nc1[nH]c2ccc(O[C@H]3CC[N@@H+](Cc4ccccc4Cl)C3)cc2[nH+]1 ZINC001230518342 1376048495 /nfs/dbraw/zinc/04/84/95/1376048495.db2.gz PMEMTSUWYVWTDP-AWEZNQCLSA-N 2 1 342.830 3.452 20 0 EGADMP Nc1[nH]c2ccc(O[C@@H]3CCC[N@@H+](Cc4ccccc4F)C3)cc2[nH+]1 ZINC001230516165 1376048723 /nfs/dbraw/zinc/04/87/23/1376048723.db2.gz OTYGEZHYONSTOC-OAHLLOKOSA-N 2 1 340.402 3.328 20 0 EGADMP CC1CC(C[N@H+]2CCC[C@@H](NC(=O)CCC[NH+]3CCCCC3)CC2)C1 ZINC001327171990 1388420672 /nfs/dbraw/zinc/42/06/72/1388420672.db2.gz IQJKTQMKFJHPCD-SOAGJPPSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@@H]2CCC[NH+]2CC2CCC2)CC1 ZINC001230617544 1376103316 /nfs/dbraw/zinc/10/33/16/1376103316.db2.gz CMTYFEVRDCWASZ-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001230617544 1376103317 /nfs/dbraw/zinc/10/33/17/1376103317.db2.gz CMTYFEVRDCWASZ-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001230617544 1376103324 /nfs/dbraw/zinc/10/33/24/1376103324.db2.gz CMTYFEVRDCWASZ-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001327187104 1388429851 /nfs/dbraw/zinc/42/98/51/1388429851.db2.gz AQEBHHUHUBNYNQ-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001327187104 1388429853 /nfs/dbraw/zinc/42/98/53/1388429853.db2.gz AQEBHHUHUBNYNQ-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001327187104 1388429862 /nfs/dbraw/zinc/42/98/62/1388429862.db2.gz AQEBHHUHUBNYNQ-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016751 1376385263 /nfs/dbraw/zinc/38/52/63/1376385263.db2.gz FJKYNRQZGQMLDI-KRWDZBQOSA-N 2 1 347.459 3.133 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c(Br)[nH]c4ccccc43)C[C@@H]2C1 ZINC001232141724 1376407779 /nfs/dbraw/zinc/40/77/79/1376407779.db2.gz REQSRADOPFJSCK-OLZOCXBDSA-N 2 1 348.288 3.314 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c(Br)[nH]c4ccccc43)C[C@@H]2C1 ZINC001232141724 1376407781 /nfs/dbraw/zinc/40/77/81/1376407781.db2.gz REQSRADOPFJSCK-OLZOCXBDSA-N 2 1 348.288 3.314 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c(Br)[nH]c4ccccc43)C[C@@H]2C1 ZINC001232141724 1376407783 /nfs/dbraw/zinc/40/77/83/1376407783.db2.gz REQSRADOPFJSCK-OLZOCXBDSA-N 2 1 348.288 3.314 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C[C@@]1(O)C(F)(F)F ZINC001232144926 1376408287 /nfs/dbraw/zinc/40/82/87/1376408287.db2.gz OJPGVMHFFGLBIU-WBMJQRKESA-N 2 1 348.384 3.023 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C[C@@]1(O)C(F)(F)F ZINC001232144926 1376408291 /nfs/dbraw/zinc/40/82/91/1376408291.db2.gz OJPGVMHFFGLBIU-WBMJQRKESA-N 2 1 348.384 3.023 20 0 EGADMP COc1ccc2c(c1)C[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)CC2 ZINC001232145068 1376408811 /nfs/dbraw/zinc/40/88/11/1376408811.db2.gz TYYBLBDTGJLRJB-UHFFFAOYSA-N 2 1 328.431 3.454 20 0 EGADMP COc1ccc2c(c1)C[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)CC2 ZINC001232145068 1376408816 /nfs/dbraw/zinc/40/88/16/1376408816.db2.gz TYYBLBDTGJLRJB-UHFFFAOYSA-N 2 1 328.431 3.454 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)c1 ZINC001232143887 1376409006 /nfs/dbraw/zinc/40/90/06/1376409006.db2.gz DKPMITIBDSPLDN-INIZCTEOSA-N 2 1 348.384 3.167 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)c1 ZINC001232143887 1376409009 /nfs/dbraw/zinc/40/90/09/1376409009.db2.gz DKPMITIBDSPLDN-INIZCTEOSA-N 2 1 348.384 3.167 20 0 EGADMP Cc1cnsc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001233320323 1376613291 /nfs/dbraw/zinc/61/32/91/1376613291.db2.gz VXSGWUJLUPXFJE-UHFFFAOYSA-N 2 1 342.512 3.335 20 0 EGADMP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)c1ccc(F)cc1 ZINC001134766211 1376710151 /nfs/dbraw/zinc/71/01/51/1376710151.db2.gz DXFIYDBOYPGNOY-RTBURBONSA-N 2 1 349.494 3.246 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CCCC1 ZINC001134773952 1376713545 /nfs/dbraw/zinc/71/35/45/1376713545.db2.gz SENNOOMWRZCSPQ-JKSUJKDBSA-N 2 1 325.541 3.170 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134791015 1376724417 /nfs/dbraw/zinc/72/44/17/1376724417.db2.gz MOEWGEKXLPHXDA-HOTGVXAUSA-N 2 1 337.552 3.312 20 0 EGADMP Cc1csc2sc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c(C)c12 ZINC001235035718 1376835174 /nfs/dbraw/zinc/83/51/74/1376835174.db2.gz HQCQDSBBZYTZGX-ZIAGYGMSSA-N 2 1 336.526 3.390 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCC(C)(C)C ZINC001753008619 1440266390 /nfs/dbraw/zinc/26/63/90/1440266390.db2.gz IHGVPVJGJVAUEG-SJORKVTESA-N 2 1 325.541 3.027 20 0 EGADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(CC[C@@H]2CCCC[NH2+]2)C3)c1 ZINC001235630279 1376878918 /nfs/dbraw/zinc/87/89/18/1376878918.db2.gz XLMOQCVKUUHOEH-SFTDATJTSA-N 2 1 345.506 3.398 20 0 EGADMP FC1(C[N@@H+]2C[C@H]3c4ccccc4[C@H](OCC4CC4)[C@H]3C2)CC[NH2+]CC1 ZINC001235632197 1376879759 /nfs/dbraw/zinc/87/97/59/1376879759.db2.gz PIRRFLNBAFESQF-UFYCRDLUSA-N 2 1 344.474 3.275 20 0 EGADMP C[N@H+](Cc1ccc(O)c(OC(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC001235665621 1376882441 /nfs/dbraw/zinc/88/24/41/1376882441.db2.gz KUQUCPAMWZDRFX-UHFFFAOYSA-N 2 1 332.366 3.064 20 0 EGADMP Fc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235942040 1376920273 /nfs/dbraw/zinc/92/02/73/1376920273.db2.gz XUFKPUBUGOXHAX-HKUYNNGSSA-N 2 1 340.442 3.446 20 0 EGADMP Fc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235942040 1376920279 /nfs/dbraw/zinc/92/02/79/1376920279.db2.gz XUFKPUBUGOXHAX-HKUYNNGSSA-N 2 1 340.442 3.446 20 0 EGADMP CCN(C[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235947329 1376921484 /nfs/dbraw/zinc/92/14/84/1376921484.db2.gz ACAKRSMHLQPHHG-GOTSBHOMSA-N 2 1 349.522 3.297 20 0 EGADMP COCC[N@H+](Cc1ccc2c(c1)Cc1ccccc1-2)C1CC[NH2+]CC1 ZINC001235945935 1376921497 /nfs/dbraw/zinc/92/14/97/1376921497.db2.gz YUSDGQUXNQSAFR-UHFFFAOYSA-N 2 1 336.479 3.458 20 0 EGADMP COCC[N@@H+](Cc1ccc2c(c1)Cc1ccccc1-2)C1CC[NH2+]CC1 ZINC001235945935 1376921505 /nfs/dbraw/zinc/92/15/05/1376921505.db2.gz YUSDGQUXNQSAFR-UHFFFAOYSA-N 2 1 336.479 3.458 20 0 EGADMP [NH3+]C1CN([C@@H]2CCC[N@@H+](Cc3ccc(-c4cccs4)cc3)C2)C1 ZINC001236077631 1376932326 /nfs/dbraw/zinc/93/23/26/1376932326.db2.gz JMKPASYBRGGLNN-GOSISDBHSA-N 2 1 327.497 3.022 20 0 EGADMP CN(C)c1ccc(Br)cc1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236227089 1376942892 /nfs/dbraw/zinc/94/28/92/1376942892.db2.gz ZLPJZVCIMPNWFA-UHFFFAOYSA-N 2 1 340.309 3.089 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001236253015 1376946148 /nfs/dbraw/zinc/94/61/48/1376946148.db2.gz DXHFDRPGELAGBO-GOTSBHOMSA-N 2 1 349.522 3.297 20 0 EGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246162038 1377050480 /nfs/dbraw/zinc/05/04/80/1377050480.db2.gz WHMQICXTNMGPKR-DOPJRALCSA-N 2 1 340.870 3.301 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001246545208 1377052305 /nfs/dbraw/zinc/05/23/05/1377052305.db2.gz UWCAICCCSASITM-RHSMWYFYSA-N 2 1 343.298 3.026 20 0 EGADMP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)C[C@H](CC)[NH2+]1 ZINC001246542652 1377052593 /nfs/dbraw/zinc/05/25/93/1377052593.db2.gz WPFCHHZHVJBBKJ-QKPAOTATSA-N 2 1 326.481 3.322 20 0 EGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)C[C@H](CC)[NH2+]1 ZINC001246542652 1377052598 /nfs/dbraw/zinc/05/25/98/1377052598.db2.gz WPFCHHZHVJBBKJ-QKPAOTATSA-N 2 1 326.481 3.322 20 0 EGADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C3)c1 ZINC001246717466 1377053070 /nfs/dbraw/zinc/05/30/70/1377053070.db2.gz ACRKAMGCNFWOSR-KCLUMXDGSA-N 2 1 343.515 3.149 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N(CC[NH3+])Cc1ccc(Cl)cc1Cl)C2 ZINC001246821016 1377055325 /nfs/dbraw/zinc/05/53/25/1377055325.db2.gz LNGUXIRAVLHQBU-ZSHCYNCHSA-N 2 1 342.314 3.379 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+]1[C@H](C)CCc1ccc(Br)cc1 ZINC001246938951 1377055919 /nfs/dbraw/zinc/05/59/19/1377055919.db2.gz QCZNQMIZEFZYOD-CZUORRHYSA-N 2 1 325.294 3.454 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+]1[C@H](C)CCc1ccc(Br)cc1 ZINC001246938951 1377055923 /nfs/dbraw/zinc/05/59/23/1377055923.db2.gz QCZNQMIZEFZYOD-CZUORRHYSA-N 2 1 325.294 3.454 20 0 EGADMP CC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[NH+](C)CC1 ZINC001254529247 1377106810 /nfs/dbraw/zinc/10/68/10/1377106810.db2.gz FKVGWRMHKJJEDM-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C)CC1 ZINC001254529247 1377106812 /nfs/dbraw/zinc/10/68/12/1377106812.db2.gz FKVGWRMHKJJEDM-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254529247 1377106816 /nfs/dbraw/zinc/10/68/16/1377106816.db2.gz FKVGWRMHKJJEDM-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1)[NH2+]CCCC(C)(C)C ZINC001135476982 1377110569 /nfs/dbraw/zinc/11/05/69/1377110569.db2.gz PFKVIPSEEYOGMY-SJORKVTESA-N 2 1 339.568 3.418 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135476981 1377110935 /nfs/dbraw/zinc/11/09/35/1377110935.db2.gz PFKVIPSEEYOGMY-IRXDYDNUSA-N 2 1 339.568 3.418 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135478175 1377111659 /nfs/dbraw/zinc/11/16/59/1377111659.db2.gz ZRVAMCCYGIDPIL-JKSUJKDBSA-N 2 1 337.552 3.027 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001135477418 1377111755 /nfs/dbraw/zinc/11/17/55/1377111755.db2.gz VBQCVQMSYLCMIY-SJORKVTESA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCCCC1 ZINC001135583648 1377155294 /nfs/dbraw/zinc/15/52/94/1377155294.db2.gz BYHWSNPDWGNEDR-DLBZAZTESA-N 2 1 348.535 3.460 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135586152 1377155907 /nfs/dbraw/zinc/15/59/07/1377155907.db2.gz XHSNKWZUZKAJPY-HOTGVXAUSA-N 2 1 336.524 3.316 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(C)(C)C ZINC001135680399 1377182093 /nfs/dbraw/zinc/18/20/93/1377182093.db2.gz VKRLWNXUUCVCFW-HOTGVXAUSA-N 2 1 336.524 3.281 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001135861914 1377238655 /nfs/dbraw/zinc/23/86/55/1377238655.db2.gz YUHVSNFVEPHWHK-DLBZAZTESA-N 2 1 325.541 3.172 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266233496 1377240370 /nfs/dbraw/zinc/24/03/70/1377240370.db2.gz LRWPQMUVBHEFBU-HPFMTEOYSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001266284525 1377258933 /nfs/dbraw/zinc/25/89/33/1377258933.db2.gz FGOAUGSKYNLAQJ-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001135926010 1377265271 /nfs/dbraw/zinc/26/52/71/1377265271.db2.gz AQYMSQURLJTLFX-PMACEKPBSA-N 2 1 345.531 3.090 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1ccc(C)cc1 ZINC001135980933 1377285902 /nfs/dbraw/zinc/28/59/02/1377285902.db2.gz VBMYUCSHLRKLTB-RTBURBONSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001267071119 1377409916 /nfs/dbraw/zinc/40/99/16/1377409916.db2.gz DQBSRNHMWZUFHI-SJLPKXTDSA-N 2 1 345.531 3.045 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cnc3c(C)cccn23)CC1 ZINC001136961537 1377446266 /nfs/dbraw/zinc/44/62/66/1377446266.db2.gz MLUFMARAXDROIG-UHFFFAOYSA-N 2 1 335.455 3.085 20 0 EGADMP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccc2nc[nH]c2c1 ZINC001137048011 1377467771 /nfs/dbraw/zinc/46/77/71/1377467771.db2.gz YTIKJJBOYADQAV-UHFFFAOYSA-N 2 1 345.535 3.049 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+](Cc2ccccc2OC(C)C)CC1 ZINC001137139026 1377484144 /nfs/dbraw/zinc/48/41/44/1377484144.db2.gz AZZJVFAGMKLXSB-UHFFFAOYSA-N 2 1 347.547 3.323 20 0 EGADMP Cc1ccc2ncc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@H+]3C)n2c1 ZINC001137310776 1377513929 /nfs/dbraw/zinc/51/39/29/1377513929.db2.gz QCJCCFUBLUNOME-ROUUACIJSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1ccc2ncc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)n2c1 ZINC001137310776 1377513930 /nfs/dbraw/zinc/51/39/30/1377513930.db2.gz QCJCCFUBLUNOME-ROUUACIJSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1ccc2ncc(C[N@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)n2c1 ZINC001137310776 1377513931 /nfs/dbraw/zinc/51/39/31/1377513931.db2.gz QCJCCFUBLUNOME-ROUUACIJSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1ccc2ncc(C[N@@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)n2c1 ZINC001137310776 1377513932 /nfs/dbraw/zinc/51/39/32/1377513932.db2.gz QCJCCFUBLUNOME-ROUUACIJSA-N 2 1 326.488 3.482 20 0 EGADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4c[nH]c5ncccc45)C[C@H]3C2)c1 ZINC001137398996 1377540855 /nfs/dbraw/zinc/54/08/55/1377540855.db2.gz HCFNOYWVYSQOJK-IYBDPMFKSA-N 2 1 338.480 3.188 20 0 EGADMP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4c[nH]c5ncccc45)C[C@H]3C2)c1 ZINC001137398996 1377540856 /nfs/dbraw/zinc/54/08/56/1377540856.db2.gz HCFNOYWVYSQOJK-IYBDPMFKSA-N 2 1 338.480 3.188 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4c[nH]c5ncccc45)C[C@H]3C2)c1 ZINC001137398996 1377540857 /nfs/dbraw/zinc/54/08/57/1377540857.db2.gz HCFNOYWVYSQOJK-IYBDPMFKSA-N 2 1 338.480 3.188 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4c[nH]c5ncccc45)C[C@H]3C2)c1 ZINC001137398996 1377540858 /nfs/dbraw/zinc/54/08/58/1377540858.db2.gz HCFNOYWVYSQOJK-IYBDPMFKSA-N 2 1 338.480 3.188 20 0 EGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2nc(Br)cs2)CC1 ZINC001137780288 1377615892 /nfs/dbraw/zinc/61/58/92/1377615892.db2.gz ZOXAKNDOYAGECA-UHFFFAOYSA-N 2 1 346.338 3.458 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2nc(Br)cs2)CC1 ZINC001137780288 1377615894 /nfs/dbraw/zinc/61/58/94/1377615894.db2.gz ZOXAKNDOYAGECA-UHFFFAOYSA-N 2 1 346.338 3.458 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC3(C[C@H](F)CO3)CC2)cc1 ZINC001138548766 1377740222 /nfs/dbraw/zinc/74/02/22/1377740222.db2.gz KOUHSAAYWMROPU-KRWDZBQOSA-N 2 1 329.419 3.274 20 0 EGADMP CC(=O)N1CC[C@H]([N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C(C)C)C1 ZINC001138550297 1377741080 /nfs/dbraw/zinc/74/10/80/1377741080.db2.gz OPKPNBOVPSURCD-FQEVSTJZSA-N 2 1 340.471 3.012 20 0 EGADMP CC(=O)N1CC[C@H]([N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C(C)C)C1 ZINC001138550297 1377741081 /nfs/dbraw/zinc/74/10/81/1377741081.db2.gz OPKPNBOVPSURCD-FQEVSTJZSA-N 2 1 340.471 3.012 20 0 EGADMP CCSc1ncc(C[N@@H+](C2CCCC2)C2CCN(C)CC2)cn1 ZINC001138657756 1377763569 /nfs/dbraw/zinc/76/35/69/1377763569.db2.gz PTGNXRRHEDUEDF-UHFFFAOYSA-N 2 1 334.533 3.427 20 0 EGADMP COc1cc(Cl)cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1OC ZINC001138745832 1377779695 /nfs/dbraw/zinc/77/96/95/1377779695.db2.gz KHZNAHKZJCOXCS-UHFFFAOYSA-N 2 1 338.879 3.275 20 0 EGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2c3cc[nH]c3ncc2Cl)CC1 ZINC001138955929 1377809081 /nfs/dbraw/zinc/80/90/81/1377809081.db2.gz WPWKYTQBLCRROO-UHFFFAOYSA-N 2 1 341.846 3.194 20 0 EGADMP Cc1n[nH]c(C)c1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001139101076 1377830008 /nfs/dbraw/zinc/83/00/08/1377830008.db2.gz KMFJNQMXRURKOR-UHFFFAOYSA-N 2 1 326.488 3.371 20 0 EGADMP COc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)s2)cc1 ZINC001139285960 1377862885 /nfs/dbraw/zinc/86/28/85/1377862885.db2.gz CGKITWFRMJQFJW-IYBDPMFKSA-N 2 1 328.481 3.417 20 0 EGADMP COc1ccc(-c2ccc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)s2)cc1 ZINC001139285960 1377862888 /nfs/dbraw/zinc/86/28/88/1377862888.db2.gz CGKITWFRMJQFJW-IYBDPMFKSA-N 2 1 328.481 3.417 20 0 EGADMP COc1ccc(-c2ccc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)s2)cc1 ZINC001139285960 1377862889 /nfs/dbraw/zinc/86/28/89/1377862889.db2.gz CGKITWFRMJQFJW-IYBDPMFKSA-N 2 1 328.481 3.417 20 0 EGADMP CCC1([NH2+]CCC2CCCC2)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001327455249 1388523622 /nfs/dbraw/zinc/52/36/22/1388523622.db2.gz KPYAHICHYQLHRD-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCN(C2C[NH+](Cc3cccc4c5ccccc5oc43)C2)CC1 ZINC001139858854 1377964538 /nfs/dbraw/zinc/96/45/38/1377964538.db2.gz XCRJUTYMBNFDLA-UHFFFAOYSA-N 2 1 335.451 3.018 20 0 EGADMP C[N@@H+](Cc1ccncc1O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001140277059 1378038945 /nfs/dbraw/zinc/03/89/45/1378038945.db2.gz RSAAEWAKNIXZPF-UHFFFAOYSA-N 2 1 325.456 3.131 20 0 EGADMP C[N@H+](Cc1ccncc1O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001140277059 1378038947 /nfs/dbraw/zinc/03/89/47/1378038947.db2.gz RSAAEWAKNIXZPF-UHFFFAOYSA-N 2 1 325.456 3.131 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc(O)c3Br)C2)CC1 ZINC001140550015 1378083516 /nfs/dbraw/zinc/08/35/16/1378083516.db2.gz AXLXSNGRYRBQCZ-UHFFFAOYSA-N 2 1 339.277 3.072 20 0 EGADMP COc1ccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c(C)c1 ZINC001140673981 1378111009 /nfs/dbraw/zinc/11/10/09/1378111009.db2.gz IODOSNRDSOVJQP-OAQYLSRUSA-N 2 1 346.515 3.326 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c(C)c1 ZINC001140673981 1378111011 /nfs/dbraw/zinc/11/10/11/1378111011.db2.gz IODOSNRDSOVJQP-OAQYLSRUSA-N 2 1 346.515 3.326 20 0 EGADMP COc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c(C)c1 ZINC001140673981 1378111015 /nfs/dbraw/zinc/11/10/15/1378111015.db2.gz IODOSNRDSOVJQP-OAQYLSRUSA-N 2 1 346.515 3.326 20 0 EGADMP COc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c(C)c1 ZINC001140673981 1378111016 /nfs/dbraw/zinc/11/10/16/1378111016.db2.gz IODOSNRDSOVJQP-OAQYLSRUSA-N 2 1 346.515 3.326 20 0 EGADMP CC[N@H+](Cc1c[nH]c2cc[nH+]cc12)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140805045 1378143216 /nfs/dbraw/zinc/14/32/16/1378143216.db2.gz PRNZCBHWBNXORS-HNNXBMFYSA-N 2 1 344.459 3.394 20 0 EGADMP CC[N@@H+](Cc1c[nH]c2cc[nH+]cc12)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140805045 1378143217 /nfs/dbraw/zinc/14/32/17/1378143217.db2.gz PRNZCBHWBNXORS-HNNXBMFYSA-N 2 1 344.459 3.394 20 0 EGADMP CC(C)c1noc([C@H]2CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)n1 ZINC001140804762 1378144597 /nfs/dbraw/zinc/14/45/97/1378144597.db2.gz DGLOMMWAZRKDEU-ZDUSSCGKSA-N 2 1 325.416 3.449 20 0 EGADMP CC(C)c1noc([C@H]2CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)n1 ZINC001140804762 1378144603 /nfs/dbraw/zinc/14/46/03/1378144603.db2.gz DGLOMMWAZRKDEU-ZDUSSCGKSA-N 2 1 325.416 3.449 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(CN2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001276576948 1378180248 /nfs/dbraw/zinc/18/02/48/1378180248.db2.gz RQDZGTRDFJWCNY-FQEVSTJZSA-N 2 1 333.495 3.195 20 0 EGADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnco2)CC3)c1 ZINC001140931117 1378184733 /nfs/dbraw/zinc/18/47/33/1378184733.db2.gz YAXPXTKSBAXZTQ-UHFFFAOYSA-N 2 1 341.455 3.171 20 0 EGADMP COc1ccc(-c2cccc(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)n2)cc1 ZINC001140952687 1378192313 /nfs/dbraw/zinc/19/23/13/1378192313.db2.gz CEWUMKWDKMGHFX-MSOLQXFVSA-N 2 1 337.467 3.141 20 0 EGADMP COc1ccc(-c2cccc(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)n2)cc1 ZINC001140952687 1378192318 /nfs/dbraw/zinc/19/23/18/1378192318.db2.gz CEWUMKWDKMGHFX-MSOLQXFVSA-N 2 1 337.467 3.141 20 0 EGADMP COc1ccc(-c2cccc(C[NH+]3C[C@H]4CC[N@@H+](C)C[C@H]4C3)n2)cc1 ZINC001140952687 1378192320 /nfs/dbraw/zinc/19/23/20/1378192320.db2.gz CEWUMKWDKMGHFX-MSOLQXFVSA-N 2 1 337.467 3.141 20 0 EGADMP COc1ccc(-c2cccc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)n2)cc1 ZINC001140959646 1378193810 /nfs/dbraw/zinc/19/38/10/1378193810.db2.gz BCMNJNSKGNGXLA-OAQYLSRUSA-N 2 1 337.467 3.285 20 0 EGADMP COc1ccc(-c2cccc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)n2)cc1 ZINC001140959646 1378193813 /nfs/dbraw/zinc/19/38/13/1378193813.db2.gz BCMNJNSKGNGXLA-OAQYLSRUSA-N 2 1 337.467 3.285 20 0 EGADMP COc1ccc(-c2cccc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)n2)cc1 ZINC001140959646 1378193814 /nfs/dbraw/zinc/19/38/14/1378193814.db2.gz BCMNJNSKGNGXLA-OAQYLSRUSA-N 2 1 337.467 3.285 20 0 EGADMP COc1ccc(-c2cccc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)n2)cc1 ZINC001140959646 1378193816 /nfs/dbraw/zinc/19/38/16/1378193816.db2.gz BCMNJNSKGNGXLA-OAQYLSRUSA-N 2 1 337.467 3.285 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCc3cc(F)ccc3C2)CC1 ZINC001140975148 1378197988 /nfs/dbraw/zinc/19/79/88/1378197988.db2.gz OWZYWHHDYFNGGW-UHFFFAOYSA-N 2 1 339.458 3.136 20 0 EGADMP CCOC(=O)CCCC[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277881422 1378249237 /nfs/dbraw/zinc/24/92/37/1378249237.db2.gz XDGYUKDWLUFXBZ-UHFFFAOYSA-N 2 1 347.503 3.036 20 0 EGADMP COc1ccc2nccc(C[NH+]3CCN(c4cc[nH+]cc4C)CC3)c2c1 ZINC001141152969 1378251733 /nfs/dbraw/zinc/25/17/33/1378251733.db2.gz RYKGVALYQXIKHZ-UHFFFAOYSA-N 2 1 348.450 3.269 20 0 EGADMP Cc1ccc(CN2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c(F)c1 ZINC001141192456 1378264519 /nfs/dbraw/zinc/26/45/19/1378264519.db2.gz MNAWXJZSMOWCNN-FQEVSTJZSA-N 2 1 334.479 3.457 20 0 EGADMP COc1ccc(C(F)(F)F)cc1CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001141202081 1378266539 /nfs/dbraw/zinc/26/65/39/1378266539.db2.gz SFYVBTGLMUCAHM-OCCSQVGLSA-N 2 1 328.378 3.098 20 0 EGADMP COc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001141202081 1378266544 /nfs/dbraw/zinc/26/65/44/1378266544.db2.gz SFYVBTGLMUCAHM-OCCSQVGLSA-N 2 1 328.378 3.098 20 0 EGADMP COc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001141202081 1378266550 /nfs/dbraw/zinc/26/65/50/1378266550.db2.gz SFYVBTGLMUCAHM-OCCSQVGLSA-N 2 1 328.378 3.098 20 0 EGADMP COc1ccc(C(F)(F)F)cc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001141202081 1378266552 /nfs/dbraw/zinc/26/65/52/1378266552.db2.gz SFYVBTGLMUCAHM-OCCSQVGLSA-N 2 1 328.378 3.098 20 0 EGADMP COc1ccc(C(F)(F)F)cc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001141202081 1378266557 /nfs/dbraw/zinc/26/65/57/1378266557.db2.gz SFYVBTGLMUCAHM-OCCSQVGLSA-N 2 1 328.378 3.098 20 0 EGADMP CC(C)CNC(=O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001327517142 1388546113 /nfs/dbraw/zinc/54/61/13/1388546113.db2.gz DVHZIPCTVNBURC-AZUAARDMSA-N 2 1 345.531 3.039 20 0 EGADMP CC(C)CNC(=O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001327517142 1388546115 /nfs/dbraw/zinc/54/61/15/1388546115.db2.gz DVHZIPCTVNBURC-AZUAARDMSA-N 2 1 345.531 3.039 20 0 EGADMP C[N@@H+](CCCC1CCC1)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001281955524 1378463915 /nfs/dbraw/zinc/46/39/15/1378463915.db2.gz NJRPDRCAGJOSEZ-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP c1cc2c(nccc2C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)[nH]1 ZINC001142879250 1378502940 /nfs/dbraw/zinc/50/29/40/1378502940.db2.gz OJEXKRQVWBBMSZ-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP c1cc2c(nccc2C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)[nH]1 ZINC001142879250 1378502945 /nfs/dbraw/zinc/50/29/45/1378502945.db2.gz OJEXKRQVWBBMSZ-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP c1cc2c(nccc2C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)[nH]1 ZINC001142879250 1378502950 /nfs/dbraw/zinc/50/29/50/1378502950.db2.gz OJEXKRQVWBBMSZ-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001282664728 1378535641 /nfs/dbraw/zinc/53/56/41/1378535641.db2.gz JTAAOWAAPGBGCH-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP COc1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cc(C(F)(F)F)c1 ZINC001143519642 1378607823 /nfs/dbraw/zinc/60/78/23/1378607823.db2.gz QACDYRKAAOQWDU-UHFFFAOYSA-N 2 1 328.378 3.242 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)on2)cc1 ZINC001327561531 1388560063 /nfs/dbraw/zinc/56/00/63/1388560063.db2.gz FYMKOGKAEDPQGH-UHFFFAOYSA-N 2 1 341.455 3.316 20 0 EGADMP c1[nH+]c(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2ccccn12 ZINC001144627442 1378752987 /nfs/dbraw/zinc/75/29/87/1378752987.db2.gz PAXGIFIGNGAVLL-NQIIRXRSSA-N 2 1 332.451 3.041 20 0 EGADMP c1[nH+]c(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2ccccn12 ZINC001144627442 1378752988 /nfs/dbraw/zinc/75/29/88/1378752988.db2.gz PAXGIFIGNGAVLL-NQIIRXRSSA-N 2 1 332.451 3.041 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001283316788 1378800992 /nfs/dbraw/zinc/80/09/92/1378800992.db2.gz HZKRCTQLGUAEKE-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC001146333516 1378818763 /nfs/dbraw/zinc/81/87/63/1378818763.db2.gz ORHICDYHEASPBZ-IAGOWNOFSA-N 2 1 348.535 3.425 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001146333733 1378819131 /nfs/dbraw/zinc/81/91/31/1378819131.db2.gz QMUUPSLHURKWEI-HZPDHXFCSA-N 2 1 348.535 3.281 20 0 EGADMP CCc1ccccc1CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146593826 1378873877 /nfs/dbraw/zinc/87/38/77/1378873877.db2.gz QLTLEJQRPXSPSB-QZTJIDSGSA-N 2 1 347.547 3.005 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001146601619 1378875994 /nfs/dbraw/zinc/87/59/94/1378875994.db2.gz MWLQIYFJOVFYIK-IAGOWNOFSA-N 2 1 345.531 3.277 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccccc1C ZINC001147357990 1379008461 /nfs/dbraw/zinc/00/84/61/1379008461.db2.gz BTDBQCLCNJOHEM-ICSRJNTNSA-N 2 1 345.531 3.416 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001147359952 1379009431 /nfs/dbraw/zinc/00/94/31/1379009431.db2.gz XSFKILVOOWDPKO-VQIMIIECSA-N 2 1 349.494 3.247 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001147774162 1379076928 /nfs/dbraw/zinc/07/69/28/1379076928.db2.gz RPYMPTXDKUTDBE-RTBURBONSA-N 2 1 347.547 3.118 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001147774162 1379076933 /nfs/dbraw/zinc/07/69/33/1379076933.db2.gz RPYMPTXDKUTDBE-RTBURBONSA-N 2 1 347.547 3.118 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001147774162 1379076937 /nfs/dbraw/zinc/07/69/37/1379076937.db2.gz RPYMPTXDKUTDBE-RTBURBONSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)CCC[N@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147985429 1379103203 /nfs/dbraw/zinc/10/32/03/1379103203.db2.gz GVBVNRLRPDUURX-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC001148578969 1379216272 /nfs/dbraw/zinc/21/62/72/1379216272.db2.gz YBPYSLJWBHUMBS-KRWDZBQOSA-N 2 1 339.911 3.229 20 0 EGADMP CC(C)CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001148605724 1379224172 /nfs/dbraw/zinc/22/41/72/1379224172.db2.gz SRQXVHXBMHFKBH-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC[C@H]1CCC[C@H](C)C1)C2 ZINC001148652175 1379234324 /nfs/dbraw/zinc/23/43/24/1379234324.db2.gz YGETXGYULPGZCI-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CC[C@H]1CCC[C@H](C)C1)C2 ZINC001148652175 1379234327 /nfs/dbraw/zinc/23/43/27/1379234327.db2.gz YGETXGYULPGZCI-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CC[C@H]1CCC[C@H](C)C1)C2 ZINC001148652175 1379234332 /nfs/dbraw/zinc/23/43/32/1379234332.db2.gz YGETXGYULPGZCI-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC001148656174 1379234934 /nfs/dbraw/zinc/23/49/34/1379234934.db2.gz XOUOQIUDZHDFTL-GFCCVEGCSA-N 2 1 346.302 3.102 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001148812928 1379274363 /nfs/dbraw/zinc/27/43/63/1379274363.db2.gz ZGNNGNICXIQLDZ-ARHOITHKSA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C\CC[NH+]1CCC2(CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001148812928 1379274366 /nfs/dbraw/zinc/27/43/66/1379274366.db2.gz ZGNNGNICXIQLDZ-ARHOITHKSA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C\CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001148812928 1379274373 /nfs/dbraw/zinc/27/43/73/1379274373.db2.gz ZGNNGNICXIQLDZ-ARHOITHKSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)[C@@H]1C ZINC001283925962 1379277352 /nfs/dbraw/zinc/27/73/52/1379277352.db2.gz FKFZTUYCVMELTP-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CCC[N@H+]1Cc1ccccc1 ZINC001284130836 1379512160 /nfs/dbraw/zinc/51/21/60/1379512160.db2.gz IQWNIMQNAAUNAS-MJGOQNOKSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CCC[NH+]1Cc1ccccc1 ZINC001284130836 1379512165 /nfs/dbraw/zinc/51/21/65/1379512165.db2.gz IQWNIMQNAAUNAS-MJGOQNOKSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CCC[NH+]1Cc1ccccc1 ZINC001284130836 1379512167 /nfs/dbraw/zinc/51/21/67/1379512167.db2.gz IQWNIMQNAAUNAS-MJGOQNOKSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001150568590 1379570621 /nfs/dbraw/zinc/57/06/21/1379570621.db2.gz URODNNVBUQRIRK-HCXYKTFWSA-N 2 1 343.515 3.153 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001150568590 1379570629 /nfs/dbraw/zinc/57/06/29/1379570629.db2.gz URODNNVBUQRIRK-HCXYKTFWSA-N 2 1 343.515 3.153 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001153507197 1380086322 /nfs/dbraw/zinc/08/63/22/1380086322.db2.gz NVPLVNFOHRGCOX-FGTMMUONSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001153507197 1380086324 /nfs/dbraw/zinc/08/63/24/1380086324.db2.gz NVPLVNFOHRGCOX-FGTMMUONSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001153507197 1380086327 /nfs/dbraw/zinc/08/63/27/1380086327.db2.gz NVPLVNFOHRGCOX-FGTMMUONSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677595 1380113541 /nfs/dbraw/zinc/11/35/41/1380113541.db2.gz IEWZMRZHZAWNLN-OAHLLOKOSA-N 2 1 337.533 3.216 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001153814828 1380135505 /nfs/dbraw/zinc/13/55/05/1380135505.db2.gz ZTXZGLZLNXYYJX-IEBWSBKVSA-N 2 1 339.568 3.227 20 0 EGADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001153814828 1380135507 /nfs/dbraw/zinc/13/55/07/1380135507.db2.gz ZTXZGLZLNXYYJX-IEBWSBKVSA-N 2 1 339.568 3.227 20 0 EGADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001153814828 1380135510 /nfs/dbraw/zinc/13/55/10/1380135510.db2.gz ZTXZGLZLNXYYJX-IEBWSBKVSA-N 2 1 339.568 3.227 20 0 EGADMP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153819194 1380136791 /nfs/dbraw/zinc/13/67/91/1380136791.db2.gz RMSDGTRFFBGCCE-SJORKVTESA-N 2 1 334.508 3.023 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153819194 1380136792 /nfs/dbraw/zinc/13/67/92/1380136792.db2.gz RMSDGTRFFBGCCE-SJORKVTESA-N 2 1 334.508 3.023 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153879828 1380149186 /nfs/dbraw/zinc/14/91/86/1380149186.db2.gz MVGIOCCKVFFAOK-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCCC1CCC1)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153879828 1380149187 /nfs/dbraw/zinc/14/91/87/1380149187.db2.gz MVGIOCCKVFFAOK-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCCC1CCC1)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153879828 1380149188 /nfs/dbraw/zinc/14/91/88/1380149188.db2.gz MVGIOCCKVFFAOK-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCc1cccc(C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]2CCCC[NH+]2C)c1 ZINC001154034232 1380188159 /nfs/dbraw/zinc/18/81/59/1380188159.db2.gz XHQKATZWSNGPDV-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[NH+](CC)[C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001154034232 1380188161 /nfs/dbraw/zinc/18/81/61/1380188161.db2.gz XHQKATZWSNGPDV-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[NH+](CC)[C@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC001154034232 1380188164 /nfs/dbraw/zinc/18/81/64/1380188164.db2.gz XHQKATZWSNGPDV-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154123040 1380213150 /nfs/dbraw/zinc/21/31/50/1380213150.db2.gz MDOYRJSLGMSIOH-IEBWSBKVSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001154123040 1380213152 /nfs/dbraw/zinc/21/31/52/1380213152.db2.gz MDOYRJSLGMSIOH-IEBWSBKVSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001154123040 1380213154 /nfs/dbraw/zinc/21/31/54/1380213154.db2.gz MDOYRJSLGMSIOH-IEBWSBKVSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154348182 1380261334 /nfs/dbraw/zinc/26/13/34/1380261334.db2.gz UAOQTYWBOUQTMM-OAHLLOKOSA-N 2 1 330.476 3.211 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455136 1380280507 /nfs/dbraw/zinc/28/05/07/1380280507.db2.gz HCXWCSIFVFQSJA-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154482089 1380286410 /nfs/dbraw/zinc/28/64/10/1380286410.db2.gz YQJZHTLPPDYJSV-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C/C=C/Cl)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154481791 1380286735 /nfs/dbraw/zinc/28/67/35/1380286735.db2.gz UWVMHUANBRVNQY-ONOODXEBSA-N 2 1 343.943 3.078 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580675 1380309517 /nfs/dbraw/zinc/30/95/17/1380309517.db2.gz ZYKRLXGTIQJALR-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580629 1380309921 /nfs/dbraw/zinc/30/99/21/1380309921.db2.gz YOZPBDPRALBMLI-MRXNPFEDSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](CC1CC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001154844525 1380363623 /nfs/dbraw/zinc/36/36/23/1380363623.db2.gz LWKTXTUBQXKTQY-APWZRJJASA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CC1CC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001154844525 1380363629 /nfs/dbraw/zinc/36/36/29/1380363629.db2.gz LWKTXTUBQXKTQY-APWZRJJASA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CC1CC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001154844525 1380363634 /nfs/dbraw/zinc/36/36/34/1380363634.db2.gz LWKTXTUBQXKTQY-APWZRJJASA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1C[C@@H](CNc2[nH+]cnc3c2ccn3Cc2ccc(F)cc2)C[NH2+]1 ZINC001155102058 1380409088 /nfs/dbraw/zinc/40/90/88/1380409088.db2.gz RJONZBXFBQYBTH-UKRRQHHQSA-N 2 1 339.418 3.029 20 0 EGADMP c1ccc2c(c1)CC[N@H+]1CCN(c3ncccc3C[NH+]3CCCC3)C[C@H]21 ZINC001155103946 1380409661 /nfs/dbraw/zinc/40/96/61/1380409661.db2.gz WGMPLBSPNDYJJQ-OAQYLSRUSA-N 2 1 348.494 3.097 20 0 EGADMP c1ccc2c(c1)CC[N@@H+]1CCN(c3ncccc3C[NH+]3CCCC3)C[C@H]21 ZINC001155103946 1380409662 /nfs/dbraw/zinc/40/96/62/1380409662.db2.gz WGMPLBSPNDYJJQ-OAQYLSRUSA-N 2 1 348.494 3.097 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1C)[NH+](CC)CC ZINC001155174590 1380419780 /nfs/dbraw/zinc/41/97/80/1380419780.db2.gz GLQFEODXWZQZGO-QUCCMNQESA-N 2 1 347.547 3.442 20 0 EGADMP CC[N@@H+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226417 1380426416 /nfs/dbraw/zinc/42/64/16/1380426416.db2.gz LDBOQLMQRXOGDA-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155226417 1380426417 /nfs/dbraw/zinc/42/64/17/1380426417.db2.gz LDBOQLMQRXOGDA-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155226417 1380426418 /nfs/dbraw/zinc/42/64/18/1380426418.db2.gz LDBOQLMQRXOGDA-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155262835 1380430068 /nfs/dbraw/zinc/43/00/68/1380430068.db2.gz IDKPXIVTVWWSBL-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CC1CCCCC1)[C@H](C)CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001155262835 1380430069 /nfs/dbraw/zinc/43/00/69/1380430069.db2.gz IDKPXIVTVWWSBL-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CC1CCCCC1)[C@H](C)CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001155262835 1380430070 /nfs/dbraw/zinc/43/00/70/1380430070.db2.gz IDKPXIVTVWWSBL-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1ccc2cc(Cl)nc(N3CCC[C@@H]([NH+]4CC(C[NH3+])C4)C3)c2c1 ZINC001155377891 1380443677 /nfs/dbraw/zinc/44/36/77/1380443677.db2.gz WACMQKOJHBBUBX-MRXNPFEDSA-N 2 1 344.890 3.056 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001155813731 1380494239 /nfs/dbraw/zinc/49/42/39/1380494239.db2.gz UKPWMVYFCQVTGB-FQEVSTJZSA-N 2 1 343.515 3.034 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001155812387 1380494445 /nfs/dbraw/zinc/49/44/45/1380494445.db2.gz MKJFVNRHCNCTTI-DAWZGUTISA-N 2 1 337.552 3.029 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)C[C@H](C)CC ZINC001155877940 1380501984 /nfs/dbraw/zinc/50/19/84/1380501984.db2.gz OSTYOXWBIWTNIS-QZTJIDSGSA-N 2 1 327.557 3.371 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)C[C@H](C)CC ZINC001155877940 1380501986 /nfs/dbraw/zinc/50/19/86/1380501986.db2.gz OSTYOXWBIWTNIS-QZTJIDSGSA-N 2 1 327.557 3.371 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](C)CC ZINC001155877940 1380501987 /nfs/dbraw/zinc/50/19/87/1380501987.db2.gz OSTYOXWBIWTNIS-QZTJIDSGSA-N 2 1 327.557 3.371 20 0 EGADMP COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)c2cccc(N)[nH+]2)cc1 ZINC001156295247 1380553871 /nfs/dbraw/zinc/55/38/71/1380553871.db2.gz XHBVFIGKLUQMDY-KRWDZBQOSA-N 2 1 340.471 3.163 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)c2cccc(N)[nH+]2)cc1 ZINC001156295247 1380553872 /nfs/dbraw/zinc/55/38/72/1380553872.db2.gz XHBVFIGKLUQMDY-KRWDZBQOSA-N 2 1 340.471 3.163 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CCC1 ZINC001156306624 1380555129 /nfs/dbraw/zinc/55/51/29/1380555129.db2.gz RYKBWQPYXVSQFG-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC1CCC1 ZINC001156306624 1380555131 /nfs/dbraw/zinc/55/51/31/1380555131.db2.gz RYKBWQPYXVSQFG-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC1 ZINC001156306624 1380555133 /nfs/dbraw/zinc/55/51/33/1380555133.db2.gz RYKBWQPYXVSQFG-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CCC1 ZINC001156306623 1380555140 /nfs/dbraw/zinc/55/51/40/1380555140.db2.gz RYKBWQPYXVSQFG-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC1CCC1 ZINC001156306623 1380555142 /nfs/dbraw/zinc/55/51/42/1380555142.db2.gz RYKBWQPYXVSQFG-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC1 ZINC001156306623 1380555144 /nfs/dbraw/zinc/55/51/44/1380555144.db2.gz RYKBWQPYXVSQFG-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475750 1380581270 /nfs/dbraw/zinc/58/12/70/1380581270.db2.gz SOQGCDBGMHPUEN-GOSISDBHSA-N 2 1 337.552 3.435 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-n2nc(C[NH3+])c3ccccc32)nc1 ZINC001156865399 1380708895 /nfs/dbraw/zinc/70/88/95/1380708895.db2.gz YRJADBXABWHVSS-GOSISDBHSA-N 2 1 335.455 3.426 20 0 EGADMP CC[N@@H+](CC/C=C\c1ccccc1)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156935236 1380733367 /nfs/dbraw/zinc/73/33/67/1380733367.db2.gz NUIKQXIWKLNUHR-IVGFIOLJSA-N 2 1 343.515 3.012 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157086167 1380772354 /nfs/dbraw/zinc/77/23/54/1380772354.db2.gz GINZTQPGLUJTLL-QGZVFWFLSA-N 2 1 333.520 3.379 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109515 1380776894 /nfs/dbraw/zinc/77/68/94/1380776894.db2.gz PYHKVVFTROYIML-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001157109515 1380776899 /nfs/dbraw/zinc/77/68/99/1380776899.db2.gz PYHKVVFTROYIML-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001157973638 1381089758 /nfs/dbraw/zinc/08/97/58/1381089758.db2.gz LWWCPOVOLWPFEN-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157978181 1381090669 /nfs/dbraw/zinc/09/06/69/1381090669.db2.gz OODAYKIHKNAWDB-FBYXPACISA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001157978181 1381090671 /nfs/dbraw/zinc/09/06/71/1381090671.db2.gz OODAYKIHKNAWDB-FBYXPACISA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001157978181 1381090676 /nfs/dbraw/zinc/09/06/76/1381090676.db2.gz OODAYKIHKNAWDB-FBYXPACISA-N 2 1 349.563 3.386 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001158356987 1381215911 /nfs/dbraw/zinc/21/59/11/1381215911.db2.gz YLQXUYJTCUGRJA-MRXNPFEDSA-N 2 1 336.524 3.319 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCC2CC2)C1 ZINC001158398381 1381231080 /nfs/dbraw/zinc/23/10/80/1381231080.db2.gz VTZWSSXFINHOOE-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CCC2CC2)C1 ZINC001158398381 1381231082 /nfs/dbraw/zinc/23/10/82/1381231082.db2.gz VTZWSSXFINHOOE-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCC2CC2)C1 ZINC001158398381 1381231086 /nfs/dbraw/zinc/23/10/86/1381231086.db2.gz VTZWSSXFINHOOE-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC(C)C ZINC001158625345 1381328682 /nfs/dbraw/zinc/32/86/82/1381328682.db2.gz OPCSIJQDIBCWCF-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)(C)C ZINC001158625326 1381329506 /nfs/dbraw/zinc/32/95/06/1381329506.db2.gz NSIROZISZFZFFT-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001328285073 1388715258 /nfs/dbraw/zinc/71/52/58/1388715258.db2.gz QLMVCTXPJSPDEY-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158763624 1381387992 /nfs/dbraw/zinc/38/79/92/1381387992.db2.gz HCTYFSWVVOFANJ-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158856236 1381435789 /nfs/dbraw/zinc/43/57/89/1381435789.db2.gz ATMYPLOKNOOWIP-LIXSYLKWSA-N 2 1 346.519 3.251 20 0 EGADMP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158856236 1381435795 /nfs/dbraw/zinc/43/57/95/1381435795.db2.gz ATMYPLOKNOOWIP-LIXSYLKWSA-N 2 1 346.519 3.251 20 0 EGADMP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158872550 1381444267 /nfs/dbraw/zinc/44/42/67/1381444267.db2.gz PEIKUTANBPXLMS-GOSISDBHSA-N 2 1 334.508 3.085 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158872550 1381444275 /nfs/dbraw/zinc/44/42/75/1381444275.db2.gz PEIKUTANBPXLMS-GOSISDBHSA-N 2 1 334.508 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)C[C@@H](C)CC(C)C ZINC001158872552 1381444365 /nfs/dbraw/zinc/44/43/65/1381444365.db2.gz PEKWRXRUFAHWED-PKOBYXMFSA-N 2 1 348.535 3.187 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@@H](C)CC(C)C ZINC001158872552 1381444369 /nfs/dbraw/zinc/44/43/69/1381444369.db2.gz PEKWRXRUFAHWED-PKOBYXMFSA-N 2 1 348.535 3.187 20 0 EGADMP CC(C)(C[NH3+])c1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001159579329 1381835646 /nfs/dbraw/zinc/83/56/46/1381835646.db2.gz AJLLRRMTTZEQMF-UHFFFAOYSA-N 2 1 339.483 3.499 20 0 EGADMP C[N@@H+]1Cc2c(Nc3ccncc3C[NH3+])cccc2[C@@H](c2ccccc2)C1 ZINC001159806658 1381906553 /nfs/dbraw/zinc/90/65/53/1381906553.db2.gz AZLSMGVEQBPZRT-LJQANCHMSA-N 2 1 344.462 3.283 20 0 EGADMP CCc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[NH+](CC)CC)cc1 ZINC001160110327 1381999697 /nfs/dbraw/zinc/99/96/97/1381999697.db2.gz AIOBUSMFJSGYSN-VQTJNVASSA-N 2 1 345.531 3.232 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC001160274224 1382058804 /nfs/dbraw/zinc/05/88/04/1382058804.db2.gz RIMZRDBIDGZZKH-ICSRJNTNSA-N 2 1 343.515 3.034 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC001290312408 1382080306 /nfs/dbraw/zinc/08/03/06/1382080306.db2.gz KHEVDAFRCZULFH-IAGOWNOFSA-N 2 1 349.544 3.123 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160400444 1382094221 /nfs/dbraw/zinc/09/42/21/1382094221.db2.gz QTGBRSKBPWEKRX-FBQMEGEOSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001160400444 1382094229 /nfs/dbraw/zinc/09/42/29/1382094229.db2.gz QTGBRSKBPWEKRX-FBQMEGEOSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001160400444 1382094233 /nfs/dbraw/zinc/09/42/33/1382094233.db2.gz QTGBRSKBPWEKRX-FBQMEGEOSA-N 2 1 347.547 3.356 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160856959 1382217015 /nfs/dbraw/zinc/21/70/15/1382217015.db2.gz SMUZMBUNTWLXGY-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160855953 1382217663 /nfs/dbraw/zinc/21/76/63/1382217663.db2.gz DRPKNEUDNPDJPS-KRWDZBQOSA-N 2 1 335.536 3.045 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001160868251 1382220092 /nfs/dbraw/zinc/22/00/92/1382220092.db2.gz LEXCJIOOTOXPBT-PMACEKPBSA-N 2 1 349.563 3.460 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161133667 1382313353 /nfs/dbraw/zinc/31/33/53/1382313353.db2.gz MCYIUOXRZNGMFF-LJQANCHMSA-N 2 1 337.552 3.147 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001161205056 1382339334 /nfs/dbraw/zinc/33/93/34/1382339334.db2.gz BOEXKVYWBGJIQY-GOSISDBHSA-N 2 1 335.536 3.189 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001161205056 1382339341 /nfs/dbraw/zinc/33/93/41/1382339341.db2.gz BOEXKVYWBGJIQY-GOSISDBHSA-N 2 1 335.536 3.189 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161219940 1382347182 /nfs/dbraw/zinc/34/71/82/1382347182.db2.gz RHYKWURRPDMOLU-QGZVFWFLSA-N 2 1 337.552 3.149 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001161245781 1382353595 /nfs/dbraw/zinc/35/35/95/1382353595.db2.gz RWWHQZHMGTXZPJ-AWEZNQCLSA-N 2 1 339.911 3.227 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391654 1382396981 /nfs/dbraw/zinc/39/69/81/1382396981.db2.gz UOLNJSHGOHGZFB-FQEVSTJZSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161391654 1382396987 /nfs/dbraw/zinc/39/69/87/1382396987.db2.gz UOLNJSHGOHGZFB-FQEVSTJZSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161391654 1382396989 /nfs/dbraw/zinc/39/69/89/1382396989.db2.gz UOLNJSHGOHGZFB-FQEVSTJZSA-N 2 1 349.563 3.434 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]CC1=CCCCC1 ZINC001161518784 1382429316 /nfs/dbraw/zinc/42/93/16/1382429316.db2.gz RFDNCCNHRSPWIR-UHFFFAOYSA-N 2 1 335.536 3.236 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCC1=CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001161683152 1382479929 /nfs/dbraw/zinc/47/99/29/1382479929.db2.gz NTSMNTMVHMKIGO-HXUWFJFHSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCCC1=CC[N@@H+](C(C)C)CC1)c1ccccc1 ZINC001161683152 1382479933 /nfs/dbraw/zinc/47/99/33/1382479933.db2.gz NTSMNTMVHMKIGO-HXUWFJFHSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCCC1=CC[N@H+](C(C)C)CC1)c1ccccc1 ZINC001161683152 1382479937 /nfs/dbraw/zinc/47/99/37/1382479937.db2.gz NTSMNTMVHMKIGO-HXUWFJFHSA-N 2 1 343.515 3.226 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](CC2=CCCCC2)CC1 ZINC001161750067 1382494750 /nfs/dbraw/zinc/49/47/50/1382494750.db2.gz VHTPLJHQBHFAKG-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP CCC[NH+](C)CCC(=O)NCCC1=CC[N@H+](CC2=CCCCC2)CC1 ZINC001161750067 1382494751 /nfs/dbraw/zinc/49/47/51/1382494751.db2.gz VHTPLJHQBHFAKG-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP CCC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CC2=CCCCC2)CC1 ZINC001161750067 1382494753 /nfs/dbraw/zinc/49/47/53/1382494753.db2.gz VHTPLJHQBHFAKG-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP [NH3+]C1CC[NH+](CCNc2cc(Cl)nc3c(F)ccc(F)c23)CC1 ZINC001161872431 1382536348 /nfs/dbraw/zinc/53/63/48/1382536348.db2.gz AXSLSBFWGSJCFA-UHFFFAOYSA-N 2 1 340.805 3.001 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001161932526 1382558850 /nfs/dbraw/zinc/55/88/50/1382558850.db2.gz SXOKVWSTJVBSOB-UHFFFAOYSA-N 2 1 343.515 3.300 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001161952023 1382567546 /nfs/dbraw/zinc/56/75/46/1382567546.db2.gz ANBFIVRFNIMZBC-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161953005 1382568514 /nfs/dbraw/zinc/56/85/14/1382568514.db2.gz OKEOERNUJGBMAG-HKUYNNGSSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001161953005 1382568517 /nfs/dbraw/zinc/56/85/17/1382568517.db2.gz OKEOERNUJGBMAG-HKUYNNGSSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001161953005 1382568520 /nfs/dbraw/zinc/56/85/20/1382568520.db2.gz OKEOERNUJGBMAG-HKUYNNGSSA-N 2 1 335.536 3.045 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H](Nc2[nH+]cnc3c2ccn3Cc2ccccc2F)C1 ZINC001162391462 1382745672 /nfs/dbraw/zinc/74/56/72/1382745672.db2.gz MPNXXNWIFOSEQK-HUUCEWRRSA-N 2 1 339.418 3.301 20 0 EGADMP Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(N[C@@H]3CCC[C@H]([NH3+])C3)c12 ZINC001162392597 1382745804 /nfs/dbraw/zinc/74/58/04/1382745804.db2.gz HMUKMXWZOJWPCT-LSDHHAIUSA-N 2 1 339.443 3.371 20 0 EGADMP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccc2c(C)cc[nH+]c2c1 ZINC001162732875 1382851350 /nfs/dbraw/zinc/85/13/50/1382851350.db2.gz HVAAHDAOXXNIQP-SFHVURJKSA-N 2 1 329.444 3.086 20 0 EGADMP Cc1ccc2c(c1)[C@@H](Nc1nc3c(ccn3C)c[nH+]1)CC21CC[NH2+]CC1 ZINC001163023767 1382950317 /nfs/dbraw/zinc/95/03/17/1382950317.db2.gz NFOBEKCIPDGRDP-SFHVURJKSA-N 2 1 347.466 3.455 20 0 EGADMP Cc1cc([NH+]2CCCCC2)ccc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163333753 1383024324 /nfs/dbraw/zinc/02/43/24/1383024324.db2.gz UCSYOTHUJIEOHA-PXNSSMCTSA-N 2 1 329.488 3.308 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCCC1CCCC1)C1CCC1 ZINC001328733916 1388831786 /nfs/dbraw/zinc/83/17/86/1388831786.db2.gz SFFNAPLJVDXBAK-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001328733916 1388831791 /nfs/dbraw/zinc/83/17/91/1388831791.db2.gz SFFNAPLJVDXBAK-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001328733916 1388831796 /nfs/dbraw/zinc/83/17/96/1388831796.db2.gz SFFNAPLJVDXBAK-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@]1(C[NH3+])CCCN(c2[nH+]cnc3c2ccn3Cc2ccccc2)CC1 ZINC001164246782 1383170915 /nfs/dbraw/zinc/17/09/15/1383170915.db2.gz CNQGQPQRXQAIAE-OAQYLSRUSA-N 2 1 349.482 3.435 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164508481 1383194794 /nfs/dbraw/zinc/19/47/94/1383194794.db2.gz AUYKQRUSSMPDMI-SFHVURJKSA-N 2 1 337.552 3.316 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164515158 1383195359 /nfs/dbraw/zinc/19/53/59/1383195359.db2.gz WNXQRVMDCLDRPK-XFHJGTJQSA-N 2 1 335.536 3.092 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CCC3CCCCC3)CC2)CC[N@H+]1C ZINC001164583376 1383201867 /nfs/dbraw/zinc/20/18/67/1383201867.db2.gz XZZRPNVDMHTTDL-IEBWSBKVSA-N 2 1 349.563 3.173 20 0 EGADMP CN(C)c1cc[nH+]c(N2CCC([N@H+]3CCc4ccccc4C3)CC2)c1 ZINC001165150197 1383236955 /nfs/dbraw/zinc/23/69/55/1383236955.db2.gz LREJBECOUZLOGA-UHFFFAOYSA-N 2 1 336.483 3.175 20 0 EGADMP C[N@H+]1CCC[C@H](CCNc2ccc3c(c2)C2(CC3)CC[NH2+]CC2)C1 ZINC001165279317 1383265116 /nfs/dbraw/zinc/26/51/16/1383265116.db2.gz SOAIETUAWKURFC-QGZVFWFLSA-N 2 1 327.516 3.398 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001165334105 1383276031 /nfs/dbraw/zinc/27/60/31/1383276031.db2.gz VAXJVTFCVUDJTI-XFHJGTJQSA-N 2 1 335.536 3.093 20 0 EGADMP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165485125 1383301044 /nfs/dbraw/zinc/30/10/44/1383301044.db2.gz MRAYCMKYHOZQGI-MJGOQNOKSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001165568000 1383310703 /nfs/dbraw/zinc/31/07/03/1383310703.db2.gz DDEZTODWOUUSEG-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CCC/C=C/CC[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001165569270 1383311334 /nfs/dbraw/zinc/31/13/34/1383311334.db2.gz UWIYYBUCAHSSFM-UEKDZROGSA-N 2 1 349.563 3.483 20 0 EGADMP CCC/C=C/CC[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001165569272 1383311739 /nfs/dbraw/zinc/31/17/39/1383311739.db2.gz UWIYYBUCAHSSFM-ZMBJWTFHSA-N 2 1 349.563 3.483 20 0 EGADMP Nc1cc[nH+]c(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c1 ZINC001166569053 1383439942 /nfs/dbraw/zinc/43/99/42/1383439942.db2.gz GMEBKSMBCVIYBM-UHFFFAOYSA-N 2 1 339.830 3.192 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001166633176 1383450662 /nfs/dbraw/zinc/45/06/62/1383450662.db2.gz BHHZBBYFTNDCIX-QGZVFWFLSA-N 2 1 345.531 3.064 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001166841903 1383485704 /nfs/dbraw/zinc/48/57/04/1383485704.db2.gz DUISINLPDGTKRD-ROUUACIJSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001167237226 1383572260 /nfs/dbraw/zinc/57/22/60/1383572260.db2.gz XKPZMFCXLWQRKX-HKUYNNGSSA-N 2 1 349.563 3.031 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001167627455 1383692693 /nfs/dbraw/zinc/69/26/93/1383692693.db2.gz OCLOLTQPTHGVHP-HXUWFJFHSA-N 2 1 345.531 3.162 20 0 EGADMP CC[N@@H+]1CC=C(c2cnc(-n3nc(C[NH3+])c4ccccc43)c(C)c2)CC1 ZINC001167696197 1383713191 /nfs/dbraw/zinc/71/31/91/1383713191.db2.gz AFFDIEQWPHIFIJ-UHFFFAOYSA-N 2 1 347.466 3.297 20 0 EGADMP CSc1nc(NCCC[N@@H+]2CCCC[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC001167751465 1383729705 /nfs/dbraw/zinc/72/97/05/1383729705.db2.gz KVHICHXKWIAKLB-OAHLLOKOSA-N 2 1 349.548 3.475 20 0 EGADMP CSc1nc(NCCC[N@H+]2CCCC[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC001167751465 1383729708 /nfs/dbraw/zinc/72/97/08/1383729708.db2.gz KVHICHXKWIAKLB-OAHLLOKOSA-N 2 1 349.548 3.475 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccccc1Cn1cc[nH+]c1N ZINC001167753096 1383730356 /nfs/dbraw/zinc/73/03/56/1383730356.db2.gz CKEZMZPSWYQPRO-MRXNPFEDSA-N 2 1 327.476 3.190 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CC(CC)CC)CC1 ZINC001167812659 1383746022 /nfs/dbraw/zinc/74/60/22/1383746022.db2.gz SHZOXQRYBUCPPR-UHFFFAOYSA-N 2 1 325.541 3.031 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001167834159 1383752852 /nfs/dbraw/zinc/75/28/52/1383752852.db2.gz IJHVWOBDFLHHQA-ZACQAIPSSA-N 2 1 341.540 3.484 20 0 EGADMP CCOC(=O)C[C@@H]1CC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C[C@H]1C ZINC001167834815 1383753800 /nfs/dbraw/zinc/75/38/00/1383753800.db2.gz MWFCVRIETCFJDB-SQNIBIBYSA-N 2 1 326.525 3.408 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC001167836366 1383755398 /nfs/dbraw/zinc/75/53/98/1383755398.db2.gz YPTHWQXAKVDKFM-DFQSSKMNSA-N 2 1 346.515 3.386 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC001167840753 1383756116 /nfs/dbraw/zinc/75/61/16/1383756116.db2.gz IIDNDAPDXQCKLB-INIZCTEOSA-N 2 1 332.488 3.342 20 0 EGADMP c1ccc(CN2CC[C@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167969963 1383782220 /nfs/dbraw/zinc/78/22/20/1383782220.db2.gz IIBVMBAFXFCDKN-KBRMVUAJSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[NH+]2CC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167969963 1383782225 /nfs/dbraw/zinc/78/22/25/1383782225.db2.gz IIBVMBAFXFCDKN-KBRMVUAJSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[NH+]2CC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167969963 1383782231 /nfs/dbraw/zinc/78/22/31/1383782231.db2.gz IIBVMBAFXFCDKN-KBRMVUAJSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167969963 1383782236 /nfs/dbraw/zinc/78/22/36/1383782236.db2.gz IIBVMBAFXFCDKN-KBRMVUAJSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167969963 1383782238 /nfs/dbraw/zinc/78/22/38/1383782238.db2.gz IIBVMBAFXFCDKN-KBRMVUAJSA-N 2 1 339.527 3.256 20 0 EGADMP Cc1cccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)n1 ZINC001167977536 1383784749 /nfs/dbraw/zinc/78/47/49/1383784749.db2.gz DOBJWHFLYWDCCV-YQQQUEKLSA-N 2 1 325.500 3.417 20 0 EGADMP Fc1cccnc1C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167979129 1383785147 /nfs/dbraw/zinc/78/51/47/1383785147.db2.gz VZPCTSDZCMLLGL-ALOPSCKCSA-N 2 1 329.463 3.247 20 0 EGADMP Cc1cccnc1C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167977441 1383785386 /nfs/dbraw/zinc/78/53/86/1383785386.db2.gz CIQDJCZAZWPDGV-YQQQUEKLSA-N 2 1 325.500 3.417 20 0 EGADMP O[C@@]1(C(F)(F)F)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167982811 1383787036 /nfs/dbraw/zinc/78/70/36/1383787036.db2.gz BAXGRPKDMQKPAU-WFVVYAPDSA-N 2 1 346.437 3.171 20 0 EGADMP O[C@@]1(C(F)(F)F)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167982811 1383787037 /nfs/dbraw/zinc/78/70/37/1383787037.db2.gz BAXGRPKDMQKPAU-WFVVYAPDSA-N 2 1 346.437 3.171 20 0 EGADMP O[C@@]1(C(F)(F)F)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167982811 1383787038 /nfs/dbraw/zinc/78/70/38/1383787038.db2.gz BAXGRPKDMQKPAU-WFVVYAPDSA-N 2 1 346.437 3.171 20 0 EGADMP CCOC(=O)C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@@H]1C ZINC001168002733 1383793029 /nfs/dbraw/zinc/79/30/29/1383793029.db2.gz WLWADVNIKZOIET-KWVUDZMESA-N 2 1 348.531 3.303 20 0 EGADMP CCOC(=O)C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@@H]1C ZINC001168002733 1383793032 /nfs/dbraw/zinc/79/30/32/1383793032.db2.gz WLWADVNIKZOIET-KWVUDZMESA-N 2 1 348.531 3.303 20 0 EGADMP CCOC(=O)C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@@H]1C ZINC001168002733 1383793034 /nfs/dbraw/zinc/79/30/34/1383793034.db2.gz WLWADVNIKZOIET-KWVUDZMESA-N 2 1 348.531 3.303 20 0 EGADMP CCc1nc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)no1 ZINC001168003213 1383794144 /nfs/dbraw/zinc/79/41/44/1383794144.db2.gz KCYXUZDZKDNXGK-JWTNVVGKSA-N 2 1 344.503 3.217 20 0 EGADMP CCc1nc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)no1 ZINC001168003213 1383794149 /nfs/dbraw/zinc/79/41/49/1383794149.db2.gz KCYXUZDZKDNXGK-JWTNVVGKSA-N 2 1 344.503 3.217 20 0 EGADMP C[C@H]1CC([NH2+]CC2CC[NH+](C)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168009324 1383795962 /nfs/dbraw/zinc/79/59/62/1383795962.db2.gz ZXSNSMRYLMQOMN-ROUUACIJSA-N 2 1 329.532 3.359 20 0 EGADMP CC[N@H+](CCC(=O)OC)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168058194 1383805549 /nfs/dbraw/zinc/80/55/49/1383805549.db2.gz PAIWBQZKBNLMCE-IZZQQSIFSA-N 2 1 332.488 3.313 20 0 EGADMP CC[N@@H+](CCC(=O)OC)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168058194 1383805555 /nfs/dbraw/zinc/80/55/55/1383805555.db2.gz PAIWBQZKBNLMCE-IZZQQSIFSA-N 2 1 332.488 3.313 20 0 EGADMP CC[NH+](CCC(=O)OC)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168058194 1383805558 /nfs/dbraw/zinc/80/55/58/1383805558.db2.gz PAIWBQZKBNLMCE-IZZQQSIFSA-N 2 1 332.488 3.313 20 0 EGADMP CC[NH+](CCC(=O)OC)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168058194 1383805565 /nfs/dbraw/zinc/80/55/65/1383805565.db2.gz PAIWBQZKBNLMCE-IZZQQSIFSA-N 2 1 332.488 3.313 20 0 EGADMP COC(=O)[C@@]1(C)CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168066612 1383809583 /nfs/dbraw/zinc/80/95/83/1383809583.db2.gz QODKSNHDVUJPBV-NZGUISNBSA-N 2 1 344.499 3.313 20 0 EGADMP COC(=O)[C@@]1(C)CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168066612 1383809585 /nfs/dbraw/zinc/80/95/85/1383809585.db2.gz QODKSNHDVUJPBV-NZGUISNBSA-N 2 1 344.499 3.313 20 0 EGADMP COC(=O)[C@@]1(C)CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168066612 1383809589 /nfs/dbraw/zinc/80/95/89/1383809589.db2.gz QODKSNHDVUJPBV-NZGUISNBSA-N 2 1 344.499 3.313 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC001168211193 1383844363 /nfs/dbraw/zinc/84/43/63/1383844363.db2.gz ADESGQGVGIHGSB-LXPRWKDFSA-N 2 1 336.520 3.305 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC001168211193 1383844365 /nfs/dbraw/zinc/84/43/65/1383844365.db2.gz ADESGQGVGIHGSB-LXPRWKDFSA-N 2 1 336.520 3.305 20 0 EGADMP COC(=O)CCC[N@@H+](Cc1ccccc1)C1CCC([NH+](C)C)CC1 ZINC001168313390 1383870533 /nfs/dbraw/zinc/87/05/33/1383870533.db2.gz BGHTWRNGCQKXFF-UHFFFAOYSA-N 2 1 332.488 3.315 20 0 EGADMP C[NH+](C)C1CCC([NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC001168324352 1383873525 /nfs/dbraw/zinc/87/35/25/1383873525.db2.gz MNKICRUMLMJYSC-UHFFFAOYSA-N 3 1 329.532 3.456 20 0 EGADMP CN(Cc1ccccc1)C1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168324352 1383873527 /nfs/dbraw/zinc/87/35/27/1383873527.db2.gz MNKICRUMLMJYSC-UHFFFAOYSA-N 2 1 329.532 3.456 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)[C@@H](c2ccccc2)C1 ZINC001168328250 1383874549 /nfs/dbraw/zinc/87/45/49/1383874549.db2.gz BOZZWFGLSKOCAP-YNIZLOQISA-N 2 1 344.499 3.486 20 0 EGADMP CC(C)CC[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168346421 1383879967 /nfs/dbraw/zinc/87/99/67/1383879967.db2.gz YWQSZKAODWDQSY-IBGZPJMESA-N 2 1 345.531 3.212 20 0 EGADMP COc1cccc(O[C@@H]2CCC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168390525 1383894155 /nfs/dbraw/zinc/89/41/55/1383894155.db2.gz IQTJFFXLBKIQHU-OAQYLSRUSA-N 2 1 344.499 3.413 20 0 EGADMP COc1cccc(O[C@@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168390525 1383894158 /nfs/dbraw/zinc/89/41/58/1383894158.db2.gz IQTJFFXLBKIQHU-OAQYLSRUSA-N 2 1 344.499 3.413 20 0 EGADMP CC1(C)C[C@H](CNc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)O1 ZINC001168451972 1383909847 /nfs/dbraw/zinc/90/98/47/1383909847.db2.gz CPPAXSVUPROMPX-HZPDHXFCSA-N 2 1 328.460 3.330 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]C/C=C\c1ccccc1 ZINC001168595602 1383944569 /nfs/dbraw/zinc/94/45/69/1383944569.db2.gz LULMYTCBUFZEQE-UVTDQMKNSA-N 2 1 345.531 3.308 20 0 EGADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)CN1C(=O)OC(C)(C)C ZINC001168840318 1384029212 /nfs/dbraw/zinc/02/92/12/1384029212.db2.gz ULWVGCSHDIIKHV-ZACQAIPSSA-N 2 1 339.524 3.225 20 0 EGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001168840590 1384029280 /nfs/dbraw/zinc/02/92/80/1384029280.db2.gz VFLAGCQVNMNIMS-VQHPVUNQSA-N 2 1 339.524 3.093 20 0 EGADMP Nc1[nH]c2cc(-n3c(CCC[NH3+])nc4ccc(Cl)cc43)ccc2[nH+]1 ZINC001168996635 1384082038 /nfs/dbraw/zinc/08/20/38/1384082038.db2.gz UZIQVYXYEKGYQQ-UHFFFAOYSA-N 2 1 340.818 3.029 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(c3ccccc3F)CCOCC1)C2 ZINC001169096824 1384106376 /nfs/dbraw/zinc/10/63/76/1384106376.db2.gz YVFKTUJELBSGQK-BJWYYQGGSA-N 2 1 332.463 3.089 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)C[C@@H]1C ZINC001308182880 1384106614 /nfs/dbraw/zinc/10/66/14/1384106614.db2.gz YQWSFRUEEYSIDJ-VSZNYVQBSA-N 2 1 335.561 3.451 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccc(F)cc3)CC1)C2 ZINC001169098662 1384106899 /nfs/dbraw/zinc/10/68/99/1384106899.db2.gz KRTZJBGFRTVZAD-OWZKRDHZSA-N 2 1 331.479 3.005 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001169107607 1384107698 /nfs/dbraw/zinc/10/76/98/1384107698.db2.gz IGCUCRDVHKXZSS-OUZSPBKPSA-N 2 1 339.527 3.397 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001169107607 1384107699 /nfs/dbraw/zinc/10/76/99/1384107699.db2.gz IGCUCRDVHKXZSS-OUZSPBKPSA-N 2 1 339.527 3.397 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001169107607 1384107701 /nfs/dbraw/zinc/10/77/01/1384107701.db2.gz IGCUCRDVHKXZSS-OUZSPBKPSA-N 2 1 339.527 3.397 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001169111127 1384108516 /nfs/dbraw/zinc/10/85/16/1384108516.db2.gz NQNNACHNWOCRND-WKCHPHFGSA-N 3 1 333.564 3.494 20 0 EGADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001169111127 1384108517 /nfs/dbraw/zinc/10/85/17/1384108517.db2.gz NQNNACHNWOCRND-WKCHPHFGSA-N 2 1 333.564 3.494 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(n3c4ccccc4[nH]c3=O)CC1)C2 ZINC001169131814 1384111050 /nfs/dbraw/zinc/11/10/50/1384111050.db2.gz ZUKMAIWNOUUHIR-BJWYYQGGSA-N 2 1 340.471 3.004 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(n3c4ccccc4[nH]c3=O)CC1)C2 ZINC001169131814 1384111051 /nfs/dbraw/zinc/11/10/51/1384111051.db2.gz ZUKMAIWNOUUHIR-BJWYYQGGSA-N 2 1 340.471 3.004 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@H]3CCC[C@@]3(COc3cccnc3)C1)C2 ZINC001169133369 1384111857 /nfs/dbraw/zinc/11/18/57/1384111857.db2.gz FAQFGNJOXIZVDI-YRIDSSQKSA-N 2 1 341.499 3.188 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@H]3CCC[C@@]3(COc3cccnc3)C1)C2 ZINC001169133369 1384111859 /nfs/dbraw/zinc/11/18/59/1384111859.db2.gz FAQFGNJOXIZVDI-YRIDSSQKSA-N 2 1 341.499 3.188 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@H]3CCC[C@@]3(COc3cccnc3)C1)C2 ZINC001169133369 1384111861 /nfs/dbraw/zinc/11/18/61/1384111861.db2.gz FAQFGNJOXIZVDI-YRIDSSQKSA-N 2 1 341.499 3.188 20 0 EGADMP COc1ccccc1[C@@H](O)C[N@H+](C(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142582 1384113499 /nfs/dbraw/zinc/11/34/99/1384113499.db2.gz DGCUBSGWJIZVPK-ZMMAXQRCSA-N 2 1 332.488 3.064 20 0 EGADMP COc1ccccc1[C@@H](O)C[N@@H+](C(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142582 1384113500 /nfs/dbraw/zinc/11/35/00/1384113500.db2.gz DGCUBSGWJIZVPK-ZMMAXQRCSA-N 2 1 332.488 3.064 20 0 EGADMP COc1ccccc1[C@@H](O)C[NH+](C(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142582 1384113501 /nfs/dbraw/zinc/11/35/01/1384113501.db2.gz DGCUBSGWJIZVPK-ZMMAXQRCSA-N 2 1 332.488 3.064 20 0 EGADMP COc1ccccc1[C@@H](O)C[NH+](C(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142582 1384113502 /nfs/dbraw/zinc/11/35/02/1384113502.db2.gz DGCUBSGWJIZVPK-ZMMAXQRCSA-N 2 1 332.488 3.064 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CCC2(C)C)CC1 ZINC001169233377 1384125437 /nfs/dbraw/zinc/12/54/37/1384125437.db2.gz PHBMJGKACQSENS-INIZCTEOSA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+]1CCC(N2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CC1 ZINC001169254836 1384127846 /nfs/dbraw/zinc/12/78/46/1384127846.db2.gz IRNZMVLZEGRDHO-UHFFFAOYSA-N 2 1 331.504 3.052 20 0 EGADMP CCN1CCC([NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)CC1 ZINC001169254836 1384127848 /nfs/dbraw/zinc/12/78/48/1384127848.db2.gz IRNZMVLZEGRDHO-UHFFFAOYSA-N 2 1 331.504 3.052 20 0 EGADMP CCN1CCC([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CC1 ZINC001169254836 1384127849 /nfs/dbraw/zinc/12/78/49/1384127849.db2.gz IRNZMVLZEGRDHO-UHFFFAOYSA-N 2 1 331.504 3.052 20 0 EGADMP CC[NH+]1CCC([N@@H+]2CCc3ncnc(-c4ccccc4)c3CC2)CC1 ZINC001169254193 1384127972 /nfs/dbraw/zinc/12/79/72/1384127972.db2.gz SDYWQPFRWVGQST-UHFFFAOYSA-N 2 1 336.483 3.029 20 0 EGADMP CC[NH+]1CCC([N@H+]2CCc3ncnc(-c4ccccc4)c3CC2)CC1 ZINC001169254193 1384127974 /nfs/dbraw/zinc/12/79/74/1384127974.db2.gz SDYWQPFRWVGQST-UHFFFAOYSA-N 2 1 336.483 3.029 20 0 EGADMP CC[NH+]1CCC([N@H+]2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)CC1 ZINC001169262218 1384129023 /nfs/dbraw/zinc/12/90/23/1384129023.db2.gz XEWGYHZSNDYDKF-REPLKXPHSA-N 2 1 345.535 3.362 20 0 EGADMP CC[NH+]1CCC([N@@H+]2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)CC1 ZINC001169262218 1384129026 /nfs/dbraw/zinc/12/90/26/1384129026.db2.gz XEWGYHZSNDYDKF-REPLKXPHSA-N 2 1 345.535 3.362 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169275209 1384130900 /nfs/dbraw/zinc/13/09/00/1384130900.db2.gz OIMNBIFNWXXSRA-QHGAOEGBSA-N 2 1 344.499 3.476 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169809736 1384187813 /nfs/dbraw/zinc/18/78/13/1384187813.db2.gz JVOPMDPJJFQKML-MJGOQNOKSA-N 2 1 337.552 3.316 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)cc1C ZINC001169811833 1384188218 /nfs/dbraw/zinc/18/82/18/1384188218.db2.gz YDTMMYRBYAQFNH-QUCCMNQESA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)C1 ZINC001170145029 1384247893 /nfs/dbraw/zinc/24/78/93/1384247893.db2.gz RMCJOPTZVQROQW-UYAOXDASSA-N 2 1 343.515 3.185 20 0 EGADMP CC[C@H]1C[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)CCO1 ZINC001170221405 1384268888 /nfs/dbraw/zinc/26/88/88/1384268888.db2.gz ORTKGFQVIBGKJU-PMACEKPBSA-N 2 1 343.515 3.327 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@@H]4[C@H](C3)C4(C)C)cc2)CC1 ZINC001170724477 1384374171 /nfs/dbraw/zinc/37/41/71/1384374171.db2.gz KNMRAFZXQLFKFC-MZADTFQBSA-N 2 1 341.543 3.348 20 0 EGADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170753917 1384379928 /nfs/dbraw/zinc/37/99/28/1384379928.db2.gz SXFAQZQBKYXMNL-GQUPQBGVSA-N 2 1 332.532 3.101 20 0 EGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170753917 1384379932 /nfs/dbraw/zinc/37/99/32/1384379932.db2.gz SXFAQZQBKYXMNL-GQUPQBGVSA-N 2 1 332.532 3.101 20 0 EGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170753917 1384379936 /nfs/dbraw/zinc/37/99/36/1384379936.db2.gz SXFAQZQBKYXMNL-GQUPQBGVSA-N 2 1 332.532 3.101 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCCCCF)CC[N@H+]1C ZINC001170870462 1384401906 /nfs/dbraw/zinc/40/19/06/1384401906.db2.gz HKSWRQPFIQGXMH-FGTMMUONSA-N 2 1 343.531 3.121 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)C)CC[N@H+]1C ZINC001170871370 1384402250 /nfs/dbraw/zinc/40/22/50/1384402250.db2.gz OXOMKWTUCLVMEY-GBESFXJTSA-N 2 1 339.568 3.418 20 0 EGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001170878526 1384403356 /nfs/dbraw/zinc/40/33/56/1384403356.db2.gz ONKGPOJYLQSUHI-IAGOWNOFSA-N 2 1 336.524 3.461 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)CCCC[NH2+]CCCF ZINC001170878260 1384403404 /nfs/dbraw/zinc/40/34/04/1384403404.db2.gz MGTWRTOEGWJLKY-HZPDHXFCSA-N 2 1 340.487 3.021 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4ccc(Br)cc4C3)C[C@@H]2C1 ZINC001170880061 1384403753 /nfs/dbraw/zinc/40/37/53/1384403753.db2.gz RUQSFWIAYRYRPB-UWWQBHOKSA-N 2 1 349.316 3.190 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCc4ccc(Br)cc4C3)C[C@@H]2C1 ZINC001170880061 1384403755 /nfs/dbraw/zinc/40/37/55/1384403755.db2.gz RUQSFWIAYRYRPB-UWWQBHOKSA-N 2 1 349.316 3.190 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCc4ccc(Br)cc4C3)C[C@@H]2C1 ZINC001170880061 1384403756 /nfs/dbraw/zinc/40/37/56/1384403756.db2.gz RUQSFWIAYRYRPB-UWWQBHOKSA-N 2 1 349.316 3.190 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C ZINC001171119908 1384449734 /nfs/dbraw/zinc/44/97/34/1384449734.db2.gz KOVDKPQKFXILSQ-ROUUACIJSA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC2CC2)C1 ZINC001171238601 1384477062 /nfs/dbraw/zinc/47/70/62/1384477062.db2.gz WJNRUSZMAWYVGY-IEBWSBKVSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171248391 1384478334 /nfs/dbraw/zinc/47/83/34/1384478334.db2.gz UEJYIHRSDBCPKA-XLIONFOSSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171261714 1384481384 /nfs/dbraw/zinc/48/13/84/1384481384.db2.gz ZIMDBCTXJCWLLK-KRWDZBQOSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171261677 1384481484 /nfs/dbraw/zinc/48/14/84/1384481484.db2.gz YCVHEWFMMVKMPF-KRWDZBQOSA-N 2 1 335.536 3.236 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001316626196 1384491337 /nfs/dbraw/zinc/49/13/37/1384491337.db2.gz ZYBCMMYDFYZIPO-HDICACEKSA-N 2 1 346.519 3.071 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171331257 1384496123 /nfs/dbraw/zinc/49/61/23/1384496123.db2.gz XUSCIVRYVVBJPQ-MSOLQXFVSA-N 2 1 325.541 3.172 20 0 EGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171510399 1384547335 /nfs/dbraw/zinc/54/73/35/1384547335.db2.gz AWDZQNKSYMBRGY-KCXAZCMYSA-N 2 1 326.406 3.424 20 0 EGADMP C[C@@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171537817 1384556430 /nfs/dbraw/zinc/55/64/30/1384556430.db2.gz HYZASGXKZRFPAG-QFBILLFUSA-N 2 1 349.494 3.075 20 0 EGADMP Cc1cccc2c1CC[C@H]([NH+]1CCC([N@@H+](C)C3CCOCC3)CC1)C2 ZINC001171575371 1384568037 /nfs/dbraw/zinc/56/80/37/1384568037.db2.gz VODSHQMZHBYZFG-NRFANRHFSA-N 2 1 342.527 3.428 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@H]2C[NH3+])C[C@H]1C(C)(C)C ZINC001171583407 1384571992 /nfs/dbraw/zinc/57/19/92/1384571992.db2.gz YMMSUMNBFZLTPP-JYJNAYRXSA-N 2 1 339.524 3.224 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCC[C@H]2C[NH3+])C[C@H]1C(C)(C)C ZINC001171583407 1384571995 /nfs/dbraw/zinc/57/19/95/1384571995.db2.gz YMMSUMNBFZLTPP-JYJNAYRXSA-N 2 1 339.524 3.224 20 0 EGADMP Cc1cccc(N2CC[NH+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)n1 ZINC001171629877 1384585472 /nfs/dbraw/zinc/58/54/72/1384585472.db2.gz XYZMLCXGAZPBJU-UHFFFAOYSA-N 2 1 330.520 3.163 20 0 EGADMP CC(C)C(=O)N1CCC[C@@]12CC[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171637441 1384587884 /nfs/dbraw/zinc/58/78/84/1384587884.db2.gz NSCSFEOUULEWNU-NRFANRHFSA-N 2 1 349.563 3.361 20 0 EGADMP Cc1nccnc1O[C@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641353 1384589613 /nfs/dbraw/zinc/58/96/13/1384589613.db2.gz PQOACIHJZBDEBF-KRWDZBQOSA-N 2 1 346.519 3.280 20 0 EGADMP Cc1cc(O[C@H]2CCC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)ncn1 ZINC001171640637 1384589963 /nfs/dbraw/zinc/58/99/63/1384589963.db2.gz HVYBUKDNAMFYMK-KRWDZBQOSA-N 2 1 346.519 3.280 20 0 EGADMP C[C@@H]1C[C@@H](NC2CC[NH+](CC3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171732587 1384618203 /nfs/dbraw/zinc/61/82/03/1384618203.db2.gz CRIWNUFLTWMIHM-DYESRHJHSA-N 2 1 327.516 3.113 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)[C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171785975 1384636162 /nfs/dbraw/zinc/63/61/62/1384636162.db2.gz VJOIZKMHKICIHN-GUDVDZBRSA-N 2 1 339.458 3.460 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCCC[NH2+]C[C@@H](C)CC(C)C ZINC001171821686 1384650983 /nfs/dbraw/zinc/65/09/83/1384650983.db2.gz PSBCYYTUQGPCED-DLBZAZTESA-N 2 1 336.524 3.138 20 0 EGADMP Cc1nn(C)cc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171969633 1384698686 /nfs/dbraw/zinc/69/86/86/1384698686.db2.gz VTUUJHVBIZHXOZ-LJQANCHMSA-N 2 1 326.488 3.261 20 0 EGADMP Cc1nn(C)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171969633 1384698689 /nfs/dbraw/zinc/69/86/89/1384698689.db2.gz VTUUJHVBIZHXOZ-LJQANCHMSA-N 2 1 326.488 3.261 20 0 EGADMP COC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC001171969617 1384698696 /nfs/dbraw/zinc/69/86/96/1384698696.db2.gz VSVNAKGBIPBUHP-GOSISDBHSA-N 2 1 344.499 3.363 20 0 EGADMP COC(=O)[C@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977702 1384702890 /nfs/dbraw/zinc/70/28/90/1384702890.db2.gz UBWCGEMFHSZJPH-OALUTQOASA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977702 1384702894 /nfs/dbraw/zinc/70/28/94/1384702894.db2.gz UBWCGEMFHSZJPH-OALUTQOASA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977702 1384702896 /nfs/dbraw/zinc/70/28/96/1384702896.db2.gz UBWCGEMFHSZJPH-OALUTQOASA-N 2 1 344.499 3.315 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001316935016 1384706022 /nfs/dbraw/zinc/70/60/22/1384706022.db2.gz AQUGPHJJGUVJPT-UHFFFAOYSA-N 2 1 325.541 3.077 20 0 EGADMP O[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063627 1384715255 /nfs/dbraw/zinc/71/52/55/1384715255.db2.gz CHGIHOOMHZFSOD-XNTOXWQXSA-N 2 1 328.500 3.465 20 0 EGADMP C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@H+]1C ZINC001172075118 1384720912 /nfs/dbraw/zinc/72/09/12/1384720912.db2.gz NZDQQTZQYOQFSM-PBASOCQRSA-N 2 1 327.516 3.208 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316948492 1384720914 /nfs/dbraw/zinc/72/09/14/1384720914.db2.gz GJMMKXHPFJYTNS-RBUKOAKNSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH+]1C ZINC001172075118 1384720913 /nfs/dbraw/zinc/72/09/13/1384720913.db2.gz NZDQQTZQYOQFSM-PBASOCQRSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+]1C ZINC001172075118 1384720916 /nfs/dbraw/zinc/72/09/16/1384720916.db2.gz NZDQQTZQYOQFSM-PBASOCQRSA-N 2 1 327.516 3.208 20 0 EGADMP C[N@@H+](CCC1OCCO1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172083178 1384722438 /nfs/dbraw/zinc/72/24/38/1384722438.db2.gz OBLHHRUQYUCFAD-ACDBMABISA-N 2 1 344.499 3.267 20 0 EGADMP C[NH+](CCC1OCCO1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172083178 1384722441 /nfs/dbraw/zinc/72/24/41/1384722441.db2.gz OBLHHRUQYUCFAD-ACDBMABISA-N 2 1 344.499 3.267 20 0 EGADMP C[NH+](CCC1OCCO1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172083178 1384722444 /nfs/dbraw/zinc/72/24/44/1384722444.db2.gz OBLHHRUQYUCFAD-ACDBMABISA-N 2 1 344.499 3.267 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1)C2 ZINC001172106562 1384728252 /nfs/dbraw/zinc/72/82/52/1384728252.db2.gz QENXXDFVAHHDKW-NXOAAHMSSA-N 2 1 342.405 3.344 20 0 EGADMP Cc1cccc(C[NH+]2CC[C@H](N[C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172113741 1384731060 /nfs/dbraw/zinc/73/10/60/1384731060.db2.gz JWMOTCLENMFODZ-BURNTYAHSA-N 2 1 327.516 3.174 20 0 EGADMP Cc1cccc(C[N@H+]2CC[C@H](N[C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172113741 1384731062 /nfs/dbraw/zinc/73/10/62/1384731062.db2.gz JWMOTCLENMFODZ-BURNTYAHSA-N 2 1 327.516 3.174 20 0 EGADMP Cc1cccc(C[N@@H+]2CC[C@H](N[C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172113741 1384731065 /nfs/dbraw/zinc/73/10/65/1384731065.db2.gz JWMOTCLENMFODZ-BURNTYAHSA-N 2 1 327.516 3.174 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[NH+](C3(c4ccccc4)CC3)CC1)C2 ZINC001172122360 1384734156 /nfs/dbraw/zinc/73/41/56/1384734156.db2.gz AEUDDIWPRZYRIZ-WKCHPHFGSA-N 2 1 339.527 3.309 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3ccc(F)cc3F)CC1)C2 ZINC001172126634 1384735876 /nfs/dbraw/zinc/73/58/76/1384735876.db2.gz XGQQECXSANHCQX-BJWYYQGGSA-N 2 1 335.442 3.102 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3ccc(F)cc3F)CC1)C2 ZINC001172126634 1384735884 /nfs/dbraw/zinc/73/58/84/1384735884.db2.gz XGQQECXSANHCQX-BJWYYQGGSA-N 2 1 335.442 3.102 20 0 EGADMP CCOC(=O)C1(C(C)C)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172131891 1384737601 /nfs/dbraw/zinc/73/76/01/1384737601.db2.gz ZFHUVLNEMVFTTM-BCDXTJNWSA-N 2 1 336.520 3.303 20 0 EGADMP CCOC(=O)C1(C(C)C)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172131891 1384737604 /nfs/dbraw/zinc/73/76/04/1384737604.db2.gz ZFHUVLNEMVFTTM-BCDXTJNWSA-N 2 1 336.520 3.303 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1Cc3cnc(-c4ccccc4)nc3C1)C2 ZINC001172130343 1384737806 /nfs/dbraw/zinc/73/78/06/1384737806.db2.gz OEJWBYBEBOOCQM-REPLKXPHSA-N 2 1 334.467 3.475 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1Cc3cnc(-c4ccccc4)nc3C1)C2 ZINC001172130343 1384737810 /nfs/dbraw/zinc/73/78/10/1384737810.db2.gz OEJWBYBEBOOCQM-REPLKXPHSA-N 2 1 334.467 3.475 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1Cc3cnc(-c4ccccc4)nc3C1)C2 ZINC001172130343 1384737813 /nfs/dbraw/zinc/73/78/13/1384737813.db2.gz OEJWBYBEBOOCQM-REPLKXPHSA-N 2 1 334.467 3.475 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1Cc3cnc(-c4ccccc4)nc3C1)C2 ZINC001172130343 1384737817 /nfs/dbraw/zinc/73/78/17/1384737817.db2.gz OEJWBYBEBOOCQM-REPLKXPHSA-N 2 1 334.467 3.475 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(Cc3c(F)cccc3F)CC1)C2 ZINC001172130588 1384738339 /nfs/dbraw/zinc/73/83/39/1384738339.db2.gz QEXQHODTPJFKSA-FVQHAEBGSA-N 2 1 349.469 3.098 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(Cc3c(F)cccc3F)CC1)C2 ZINC001172130588 1384738342 /nfs/dbraw/zinc/73/83/42/1384738342.db2.gz QEXQHODTPJFKSA-FVQHAEBGSA-N 2 1 349.469 3.098 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4C[C@H]5CC[C@@H](C4)O5)[C@@H]3C2)cc1 ZINC001172218552 1384750045 /nfs/dbraw/zinc/75/00/45/1384750045.db2.gz XNNRPWVNEKJGLJ-XPMJQDLXSA-N 2 1 326.484 3.197 20 0 EGADMP COc1cccc(C[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001172236183 1384753579 /nfs/dbraw/zinc/75/35/79/1384753579.db2.gz NRPCGHXOMRWCAM-IODSQDMPSA-N 2 1 342.483 3.253 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC001172255425 1384757355 /nfs/dbraw/zinc/75/73/55/1384757355.db2.gz QPBDRQNFHDFIJI-HXUWFJFHSA-N 2 1 332.488 3.333 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC001172255425 1384757360 /nfs/dbraw/zinc/75/73/60/1384757360.db2.gz QPBDRQNFHDFIJI-HXUWFJFHSA-N 2 1 332.488 3.333 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]C2(C[NH3+])CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C ZINC001172357182 1384776466 /nfs/dbraw/zinc/77/64/66/1384776466.db2.gz BDKSQKLGWGJCFW-PMPSAXMXSA-N 2 1 339.524 3.129 20 0 EGADMP CCOCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001172423507 1384788981 /nfs/dbraw/zinc/78/89/81/1384788981.db2.gz IAPLBNFYFNATCN-JYAXBFRTSA-N 2 1 345.531 3.429 20 0 EGADMP CCOCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001172423507 1384788983 /nfs/dbraw/zinc/78/89/83/1384788983.db2.gz IAPLBNFYFNATCN-JYAXBFRTSA-N 2 1 345.531 3.429 20 0 EGADMP CCOCC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001172423507 1384788988 /nfs/dbraw/zinc/78/89/88/1384788988.db2.gz IAPLBNFYFNATCN-JYAXBFRTSA-N 2 1 345.531 3.429 20 0 EGADMP CCOCC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001172423507 1384788994 /nfs/dbraw/zinc/78/89/94/1384788994.db2.gz IAPLBNFYFNATCN-JYAXBFRTSA-N 2 1 345.531 3.429 20 0 EGADMP CC(C)COCC[C@H](C)[NH2+]C1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001172459273 1384796890 /nfs/dbraw/zinc/79/68/90/1384796890.db2.gz HCHUNGZGPZQXRA-LYGPFTKASA-N 2 1 342.524 3.009 20 0 EGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)C[C@H](C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172638128 1384823985 /nfs/dbraw/zinc/82/39/85/1384823985.db2.gz UOPNPPGOAASJPQ-IXDOHACOSA-N 2 1 341.540 3.471 20 0 EGADMP CO[C@H]1CCC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)C1 ZINC001172942393 1384884849 /nfs/dbraw/zinc/88/48/49/1384884849.db2.gz OURVHINMCPMPIQ-PMACEKPBSA-N 2 1 343.515 3.327 20 0 EGADMP C[C@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001173059336 1384904274 /nfs/dbraw/zinc/90/42/74/1384904274.db2.gz VFZCJGHPFWLOHH-QAETUUGQSA-N 2 1 339.524 3.237 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173075360 1384908685 /nfs/dbraw/zinc/90/86/85/1384908685.db2.gz KOSUPEAMDCSLOS-HZPDHXFCSA-N 2 1 327.513 3.048 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCCN(c3ccccn3)CC2)CC1 ZINC001173108026 1384916025 /nfs/dbraw/zinc/91/60/25/1384916025.db2.gz BQTCXHYBLYUHOZ-UHFFFAOYSA-N 2 1 330.520 3.247 20 0 EGADMP CCN(CC)C(=O)[C@H]1CCC[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173108432 1384916089 /nfs/dbraw/zinc/91/60/89/1384916089.db2.gz KKLMQAMYZQBFCG-VIQWUECVSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001173110441 1384916863 /nfs/dbraw/zinc/91/68/63/1384916863.db2.gz SDDAJPODTOGEEH-GTPINHCMSA-N 2 1 339.524 3.238 20 0 EGADMP CC[C@H]1[N@H+](C2CCC([NH+](CC)CC)CC2)CCC[C@]12CCC(=O)N2 ZINC001173109873 1384917101 /nfs/dbraw/zinc/91/71/01/1384917101.db2.gz DUUUPSXGUKJBNO-ZZVGESKWSA-N 2 1 335.536 3.163 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](Oc3ccnc(OC)c3)C2)CC1 ZINC001173113075 1384918007 /nfs/dbraw/zinc/91/80/07/1384918007.db2.gz GTPBODZPWZRXIY-TVPLGVNVSA-N 2 1 347.503 3.196 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)[C@H]2CCc3ncsc3C2)CC1 ZINC001173126805 1384919016 /nfs/dbraw/zinc/91/90/16/1384919016.db2.gz REWDYYDMJWMLEC-ULQDDVLXSA-N 2 1 342.512 3.168 20 0 EGADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H]1CC[N@@H+](C(CC)CC)C1)CC2 ZINC001173605818 1384986246 /nfs/dbraw/zinc/98/62/46/1384986246.db2.gz GYYVMTJOKHGFSV-OUBFZGACSA-N 2 1 336.520 3.351 20 0 EGADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H]1CC[N@H+](C(CC)CC)C1)CC2 ZINC001173605818 1384986250 /nfs/dbraw/zinc/98/62/50/1384986250.db2.gz GYYVMTJOKHGFSV-OUBFZGACSA-N 2 1 336.520 3.351 20 0 EGADMP COC(=O)c1ccc(C[C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC001173714940 1385007595 /nfs/dbraw/zinc/00/75/95/1385007595.db2.gz LJFMFSHTRUSOMZ-SJORKVTESA-N 2 1 332.488 3.258 20 0 EGADMP COC(=O)c1ccc(C[C@@H](C)[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173715189 1385007776 /nfs/dbraw/zinc/00/77/76/1385007776.db2.gz UBDPMQDBHCAMPB-CDHQVMDDSA-N 2 1 344.499 3.386 20 0 EGADMP C[NH+](C)Cc1ccccc1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001173929385 1385032474 /nfs/dbraw/zinc/03/24/74/1385032474.db2.gz FLTCQAPVIUJPGR-UHFFFAOYSA-N 2 1 325.456 3.324 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174905686 1385168346 /nfs/dbraw/zinc/16/83/46/1385168346.db2.gz MLULKARHHKGTNK-AOIWGVFYSA-N 2 1 339.568 3.418 20 0 EGADMP CCCC[N@@H+](CCn1ccccc1=O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174984511 1385178666 /nfs/dbraw/zinc/17/86/66/1385178666.db2.gz RBJHIBDITGVPDJ-UHFFFAOYSA-N 2 1 333.520 3.260 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175255427 1385230010 /nfs/dbraw/zinc/23/00/10/1385230010.db2.gz FLYZYZDTPFZOQX-DLBZAZTESA-N 2 1 325.541 3.172 20 0 EGADMP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175265026 1385234300 /nfs/dbraw/zinc/23/43/00/1385234300.db2.gz WTRMLHLRKWTTGA-QZTJIDSGSA-N 2 1 337.552 3.173 20 0 EGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175265512 1385235223 /nfs/dbraw/zinc/23/52/23/1385235223.db2.gz YZHCTVNKPCSCMH-QFBILLFUSA-N 2 1 343.531 3.264 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175295526 1385242915 /nfs/dbraw/zinc/24/29/15/1385242915.db2.gz GLRORZVRHWMMRO-MRXNPFEDSA-N 2 1 325.541 3.029 20 0 EGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001175571559 1385334962 /nfs/dbraw/zinc/33/49/62/1385334962.db2.gz CBXHUODYIRHVOP-ROUUACIJSA-N 2 1 325.541 3.314 20 0 EGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001175571557 1385335064 /nfs/dbraw/zinc/33/50/64/1385335064.db2.gz CBXHUODYIRHVOP-QZTJIDSGSA-N 2 1 325.541 3.314 20 0 EGADMP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175703628 1385378833 /nfs/dbraw/zinc/37/88/33/1385378833.db2.gz HWZCEMUWDIIBHE-IRXDYDNUSA-N 2 1 336.524 3.282 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NCC[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001317787465 1385479559 /nfs/dbraw/zinc/47/95/59/1385479559.db2.gz GFZWVNYXGIRAGU-INIZCTEOSA-N 2 1 349.544 3.052 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CC1 ZINC001176111084 1385487103 /nfs/dbraw/zinc/48/71/03/1385487103.db2.gz FUJWSVOLOJPQHF-HKUYNNGSSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176167029 1385500914 /nfs/dbraw/zinc/50/09/14/1385500914.db2.gz WFHWVBZBWHYLLC-ZWKOTPCHSA-N 2 1 325.541 3.029 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC(CC)CC ZINC001176269747 1385533497 /nfs/dbraw/zinc/53/34/97/1385533497.db2.gz XGADZNICJKUMLP-KRWDZBQOSA-N 2 1 327.557 3.419 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)cc1C ZINC001176286935 1385539673 /nfs/dbraw/zinc/53/96/73/1385539673.db2.gz ZSIGPDHJSCGWCL-LJQANCHMSA-N 2 1 347.547 3.410 20 0 EGADMP CCc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001317949810 1385583355 /nfs/dbraw/zinc/58/33/55/1385583355.db2.gz MEQOBBHQBFYHFE-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCC(C)CC1 ZINC001176753272 1385684191 /nfs/dbraw/zinc/68/41/91/1385684191.db2.gz DOIFKTVTTRJJMR-XBMUEBEBSA-N 2 1 339.568 3.418 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001177335767 1385918068 /nfs/dbraw/zinc/91/80/68/1385918068.db2.gz KAIALLIMZMHGJC-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001177339269 1385918970 /nfs/dbraw/zinc/91/89/70/1385918970.db2.gz ASFFORWHQGGGCX-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001177348177 1385923231 /nfs/dbraw/zinc/92/32/31/1385923231.db2.gz BEQYRNMEZNVNJJ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001177348219 1385923328 /nfs/dbraw/zinc/92/33/28/1385923328.db2.gz CZVZJLYTXUXRLX-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CCC[NH2+]CC1CCC1)CC1CCCC1 ZINC001177467211 1385967267 /nfs/dbraw/zinc/96/72/67/1385967267.db2.gz WHCRDHWKBCILLJ-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C2(CNC(=O)Cc3cnc[nH]3)CCCC2)c1 ZINC001319377087 1386090739 /nfs/dbraw/zinc/09/07/39/1386090739.db2.gz HVADZTLQCBGIEU-MRXNPFEDSA-N 2 1 340.471 3.040 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCC1CCCC1 ZINC001178045947 1386115889 /nfs/dbraw/zinc/11/58/89/1386115889.db2.gz ZTTCTHSDIQRHJT-IBGZPJMESA-N 2 1 337.552 3.317 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178483646 1386231179 /nfs/dbraw/zinc/23/11/79/1386231179.db2.gz HCXBKGAMQZNCBP-WOJBJXKFSA-N 2 1 349.563 3.317 20 0 EGADMP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178523001 1386240839 /nfs/dbraw/zinc/24/08/39/1386240839.db2.gz RNFNLWZNMFJLOA-QZTJIDSGSA-N 2 1 325.541 3.029 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]CC2CCCC2)CC[N@H+]1C ZINC001178527089 1386240992 /nfs/dbraw/zinc/24/09/92/1386240992.db2.gz JNAFDCZXMCXEER-RBUKOAKNSA-N 2 1 337.552 3.173 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]CCCC(C)C)CC[N@H+]1C ZINC001178528003 1386242140 /nfs/dbraw/zinc/24/21/40/1386242140.db2.gz SLKHCQHCNUUNCY-RBUKOAKNSA-N 2 1 339.568 3.419 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CCCCCF ZINC001178634241 1386265016 /nfs/dbraw/zinc/26/50/16/1386265016.db2.gz PZGUQKSJCBQITD-GOSISDBHSA-N 2 1 343.531 3.267 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CCC(C)C ZINC001178634295 1386265387 /nfs/dbraw/zinc/26/53/87/1386265387.db2.gz SSCMYRUMCUXDEL-GOSISDBHSA-N 2 1 325.541 3.173 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCCCCC[NH2+]CC[C@H](C)F ZINC001178692832 1386279591 /nfs/dbraw/zinc/27/95/91/1386279591.db2.gz CYONLWZNIWXTFS-ROUUACIJSA-N 2 1 343.531 3.264 20 0 EGADMP O=C(NCCCCCC[NH2+]CCC1CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001178693602 1386280502 /nfs/dbraw/zinc/28/05/02/1386280502.db2.gz XITRGADLFJVZSN-FQEVSTJZSA-N 2 1 349.563 3.460 20 0 EGADMP C[C@@H]([NH2+]CCCCCCNC(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC001178705615 1386285344 /nfs/dbraw/zinc/28/53/44/1386285344.db2.gz VYIOPESDBNTAQH-GOSISDBHSA-N 2 1 345.531 3.498 20 0 EGADMP CC(C)[NH2+]CCCCCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001178902847 1386343061 /nfs/dbraw/zinc/34/30/61/1386343061.db2.gz JTTCRGCCSOBPGA-UHFFFAOYSA-N 2 1 325.541 3.314 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H](CNC(=O)C[N@@H+](C)C2CCC2)C(C)C)c1 ZINC001319917131 1386388584 /nfs/dbraw/zinc/38/85/84/1386388584.db2.gz JVMCRAJYWGIALL-FXAWDEMLSA-N 2 1 345.531 3.271 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1ccc(F)cc1 ZINC001319999842 1386445552 /nfs/dbraw/zinc/44/55/52/1386445552.db2.gz MDEBMUGBTLFQDL-VQIMIIECSA-N 2 1 349.494 3.150 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001319999842 1386445553 /nfs/dbraw/zinc/44/55/53/1386445553.db2.gz MDEBMUGBTLFQDL-VQIMIIECSA-N 2 1 349.494 3.150 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001319999842 1386445554 /nfs/dbraw/zinc/44/55/54/1386445554.db2.gz MDEBMUGBTLFQDL-VQIMIIECSA-N 2 1 349.494 3.150 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]CCC2CC2)C1 ZINC001179357632 1386462029 /nfs/dbraw/zinc/46/20/29/1386462029.db2.gz HRVCAANXSZHZBW-IBGZPJMESA-N 2 1 337.552 3.175 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001179388778 1386472272 /nfs/dbraw/zinc/47/22/72/1386472272.db2.gz QVFKZZLIAARWBU-PCUMXMLJSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001179395027 1386473996 /nfs/dbraw/zinc/47/39/96/1386473996.db2.gz DBXWWNOPRDCWGL-SJLPKXTDSA-N 2 1 348.535 3.066 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001179585411 1386523315 /nfs/dbraw/zinc/52/33/15/1386523315.db2.gz GZCSUOBBLRKKQB-ICSRJNTNSA-N 2 1 349.563 3.341 20 0 EGADMP Cc1ccccc1C[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001179587144 1386524361 /nfs/dbraw/zinc/52/43/61/1386524361.db2.gz WKRNAXNFOQIBNS-GOSISDBHSA-N 2 1 345.531 3.103 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NCCCCCC[NH2+]CC2CCCC2)C1 ZINC001179592727 1386526242 /nfs/dbraw/zinc/52/62/42/1386526242.db2.gz KPCPXJOYWKWFJX-UHFFFAOYSA-N 2 1 337.552 3.175 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CCCC2CCC2)[C@@H]1C ZINC001179633181 1386536407 /nfs/dbraw/zinc/53/64/07/1386536407.db2.gz KCUZDMZPBKQQBU-WMZOPIPTSA-N 2 1 346.519 3.166 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCCC)[C@@H]1C ZINC001179748548 1386570619 /nfs/dbraw/zinc/57/06/19/1386570619.db2.gz BOILOETVUYIPAY-ROUUACIJSA-N 2 1 325.541 3.268 20 0 EGADMP O=C(NCCCCCC[NH2+]C/C=C/Cl)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179792605 1386587819 /nfs/dbraw/zinc/58/78/19/1386587819.db2.gz TWFMBNUEXUMYTJ-LWBCESNNSA-N 2 1 341.927 3.022 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001180117892 1386702417 /nfs/dbraw/zinc/70/24/17/1386702417.db2.gz KTOLOVUZKZHXBR-UHFFFAOYSA-N 2 1 333.520 3.185 20 0 EGADMP CCCCC[N@@H+](C)CCC(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001181869115 1387067307 /nfs/dbraw/zinc/06/73/07/1387067307.db2.gz RQYXYZKZXWGZKT-UHFFFAOYSA-N 2 1 349.563 3.255 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H]([NH2+]CC(CC)CC)C1 ZINC001182692255 1387207660 /nfs/dbraw/zinc/20/76/60/1387207660.db2.gz FQMNSSBKLWPGQE-NVXWUHKLSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001182814507 1387229015 /nfs/dbraw/zinc/22/90/15/1387229015.db2.gz ZQTMUYZWVBNJFR-SLYNCCJLSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1cc2ncn(C[N@@H+]3C[C@@H]4CC[C@H]([NH+](C)C)C[C@@H]4C3)c2cc1C ZINC001336078842 1389008476 /nfs/dbraw/zinc/00/84/76/1389008476.db2.gz PLEVCWIOGLHJLZ-KSZLIROESA-N 2 1 326.488 3.273 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1)C1CCCCC1 ZINC001698711110 1406352979 /nfs/dbraw/zinc/35/29/79/1406352979.db2.gz HYJDGLARQYTAFM-WGSAOQKQSA-N 2 1 349.563 3.458 20 0 EGADMP CN(C)c1c(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)ccc(F)c1F ZINC001336887616 1389196806 /nfs/dbraw/zinc/19/68/06/1389196806.db2.gz DHYJRULCQJIGMX-CWRNSKLLSA-N 2 1 337.458 3.193 20 0 EGADMP C[C@@H]1C[C@H](CCNC(=O)C[C@@H]([NH3+])C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC001340428778 1390287375 /nfs/dbraw/zinc/28/73/75/1390287375.db2.gz KIYROVDEEJCGSV-NZSAHSFTSA-N 2 1 345.531 3.167 20 0 EGADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)n2)oc1C ZINC001341567814 1390503507 /nfs/dbraw/zinc/50/35/07/1390503507.db2.gz MQUQURJJZIYFEK-OAHLLOKOSA-N 2 1 343.427 3.155 20 0 EGADMP COC(=O)c1cc(CN2CCC[C@@H]2CNc2cccc(C)n2)oc1C ZINC001341567814 1390503508 /nfs/dbraw/zinc/50/35/08/1390503508.db2.gz MQUQURJJZIYFEK-OAHLLOKOSA-N 2 1 343.427 3.155 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)c1cccc(F)c1 ZINC001335126015 1390645511 /nfs/dbraw/zinc/64/55/11/1390645511.db2.gz DHAGIHQFUFEFMK-HXUWFJFHSA-N 2 1 330.447 3.443 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3OCC(F)F)C[C@H]2C1 ZINC001343335352 1390708015 /nfs/dbraw/zinc/70/80/15/1390708015.db2.gz XCUXQZCMWHKZIE-DJIMGWMZSA-N 2 1 338.442 3.493 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001346017756 1390901231 /nfs/dbraw/zinc/90/12/31/1390901231.db2.gz PFHPCKOYFVWWJA-QGZVFWFLSA-N 2 1 329.488 3.096 20 0 EGADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)c(F)c1 ZINC001346289369 1390919998 /nfs/dbraw/zinc/91/99/98/1390919998.db2.gz UAXBEYNXKCNKLH-KSSFIOAISA-N 2 1 340.870 3.224 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001349326079 1391321124 /nfs/dbraw/zinc/32/11/24/1391321124.db2.gz SQAKXMJZCZVIKS-UHFFFAOYSA-N 2 1 348.560 3.407 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@@H](CC)c1ccccc1 ZINC001488686371 1391701777 /nfs/dbraw/zinc/70/17/77/1391701777.db2.gz QBYPRDHEHHEBOL-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](CC)c1ccccc1 ZINC001488686371 1391701782 /nfs/dbraw/zinc/70/17/82/1391701782.db2.gz QBYPRDHEHHEBOL-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](CC)c1ccccc1 ZINC001488686371 1391701788 /nfs/dbraw/zinc/70/17/88/1391701788.db2.gz QBYPRDHEHHEBOL-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001480264250 1392649016 /nfs/dbraw/zinc/64/90/16/1392649016.db2.gz BWKKYQHDOMDRRF-QUCCMNQESA-N 2 1 345.531 3.308 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001480264250 1392649022 /nfs/dbraw/zinc/64/90/22/1392649022.db2.gz BWKKYQHDOMDRRF-QUCCMNQESA-N 2 1 345.531 3.308 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001480264250 1392649023 /nfs/dbraw/zinc/64/90/23/1392649023.db2.gz BWKKYQHDOMDRRF-QUCCMNQESA-N 2 1 345.531 3.308 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480734092 1392898911 /nfs/dbraw/zinc/89/89/11/1392898911.db2.gz YPLYFGAEIQBDNN-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001480775279 1392926065 /nfs/dbraw/zinc/92/60/65/1392926065.db2.gz CNNYTIWBZYTADA-WMZOPIPTSA-N 2 1 337.552 3.027 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480975690 1393060569 /nfs/dbraw/zinc/06/05/69/1393060569.db2.gz DQOLOGAIOYIAHD-ATZDWAIDSA-N 2 1 349.494 3.055 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480975690 1393060572 /nfs/dbraw/zinc/06/05/72/1393060572.db2.gz DQOLOGAIOYIAHD-ATZDWAIDSA-N 2 1 349.494 3.055 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001480975690 1393060574 /nfs/dbraw/zinc/06/05/74/1393060574.db2.gz DQOLOGAIOYIAHD-ATZDWAIDSA-N 2 1 349.494 3.055 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)[C@@H](C)c1ccccc1 ZINC001481004452 1393082687 /nfs/dbraw/zinc/08/26/87/1393082687.db2.gz CCCSKVTYMRHEIZ-RBUKOAKNSA-N 2 1 345.531 3.450 20 0 EGADMP CC[N@H+](C/C=C/c1ccccc1)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001481019530 1393095350 /nfs/dbraw/zinc/09/53/50/1393095350.db2.gz WFELMLDXFGTCEZ-YPNIWSFNSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C/C=C/c1ccccc1)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001481019530 1393095353 /nfs/dbraw/zinc/09/53/53/1393095353.db2.gz WFELMLDXFGTCEZ-YPNIWSFNSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C/C=C/c1ccccc1)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001481019530 1393095359 /nfs/dbraw/zinc/09/53/59/1393095359.db2.gz WFELMLDXFGTCEZ-YPNIWSFNSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)(C(=O)NCC[N@@H+](Cc1ccccc1)C1CC1)[NH+]1CCCCC1 ZINC001481170096 1393140770 /nfs/dbraw/zinc/14/07/70/1393140770.db2.gz DFXMQRSBNZBHPK-UHFFFAOYSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2c(C)cc(C)cc2C)C1 ZINC001490456579 1394234615 /nfs/dbraw/zinc/23/46/15/1394234615.db2.gz JHCYYFPAGZIVHL-LJQANCHMSA-N 2 1 345.531 3.034 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2c(C)cc(C)cc2C)C1 ZINC001490456579 1394234618 /nfs/dbraw/zinc/23/46/18/1394234618.db2.gz JHCYYFPAGZIVHL-LJQANCHMSA-N 2 1 345.531 3.034 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(C)cc(C)cc2C)C1 ZINC001490456579 1394234623 /nfs/dbraw/zinc/23/46/23/1394234623.db2.gz JHCYYFPAGZIVHL-LJQANCHMSA-N 2 1 345.531 3.034 20 0 EGADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1)[NH+](CC)CC ZINC001490560870 1394260880 /nfs/dbraw/zinc/26/08/80/1394260880.db2.gz YZWFREYPHZSNCH-VQTJNVASSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCC[C@H]1CNC(=O)CCc1c[nH]cn1 ZINC001491211063 1394472782 /nfs/dbraw/zinc/47/27/82/1394472782.db2.gz XSFZSBBQMQUZRR-KRWDZBQOSA-N 2 1 334.508 3.139 20 0 EGADMP CC(C)(C)CCC[N@@H+]1CCCC[C@H]1CNC(=O)CCc1cnc[nH]1 ZINC001491211063 1394472785 /nfs/dbraw/zinc/47/27/85/1394472785.db2.gz XSFZSBBQMQUZRR-KRWDZBQOSA-N 2 1 334.508 3.139 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCC[C@H]1CNC(=O)CCc1cnc[nH]1 ZINC001491211063 1394472788 /nfs/dbraw/zinc/47/27/88/1394472788.db2.gz XSFZSBBQMQUZRR-KRWDZBQOSA-N 2 1 334.508 3.139 20 0 EGADMP CCc1cccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)[C@@H](CC)[NH+](C)C)c1 ZINC001491230865 1394486402 /nfs/dbraw/zinc/48/64/02/1394486402.db2.gz QMNQBSOFLHBRKO-WOJBJXKFSA-N 2 1 345.531 3.060 20 0 EGADMP Cc1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001481740967 1394487345 /nfs/dbraw/zinc/48/73/45/1394487345.db2.gz GXSYAKWNLOGIQX-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP Cc1ccccc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001481740967 1394487348 /nfs/dbraw/zinc/48/73/48/1394487348.db2.gz GXSYAKWNLOGIQX-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP Cc1ccccc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001481740967 1394487351 /nfs/dbraw/zinc/48/73/51/1394487351.db2.gz GXSYAKWNLOGIQX-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC1CCCCCC1 ZINC001482457597 1395015974 /nfs/dbraw/zinc/01/59/74/1395015974.db2.gz UVBBQLFFFMWBMF-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CC2CCCCCC2)C1 ZINC001491959891 1396301066 /nfs/dbraw/zinc/30/10/66/1396301066.db2.gz QLPQQDSUDSEQRU-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCCC2)C1 ZINC001491959891 1396301067 /nfs/dbraw/zinc/30/10/67/1396301067.db2.gz QLPQQDSUDSEQRU-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC001491959891 1396301068 /nfs/dbraw/zinc/30/10/68/1396301068.db2.gz QLPQQDSUDSEQRU-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H](CC)c1ccccc1 ZINC001493280694 1396339147 /nfs/dbraw/zinc/33/91/47/1396339147.db2.gz OEDQLNRPTFDQDM-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@H](CC)c1ccccc1 ZINC001493280694 1396339148 /nfs/dbraw/zinc/33/91/48/1396339148.db2.gz OEDQLNRPTFDQDM-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@H](CC)c1ccccc1 ZINC001493280694 1396339149 /nfs/dbraw/zinc/33/91/49/1396339149.db2.gz OEDQLNRPTFDQDM-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001690484201 1404601077 /nfs/dbraw/zinc/60/10/77/1404601077.db2.gz JJPZAPUZZCZNMO-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001690784262 1404731666 /nfs/dbraw/zinc/73/16/66/1404731666.db2.gz IXUKBIRHUNAOAN-RBUKOAKNSA-N 2 1 349.494 3.015 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001690942004 1404848915 /nfs/dbraw/zinc/84/89/15/1404848915.db2.gz PTJWJDXRYQIMBB-OALUTQOASA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001690942004 1404848923 /nfs/dbraw/zinc/84/89/23/1404848923.db2.gz PTJWJDXRYQIMBB-OALUTQOASA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001690942004 1404848928 /nfs/dbraw/zinc/84/89/28/1404848928.db2.gz PTJWJDXRYQIMBB-OALUTQOASA-N 2 1 331.504 3.059 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CC1CCC(C)(C)CC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001691056419 1404977569 /nfs/dbraw/zinc/97/75/69/1404977569.db2.gz YXERPQBGBIAGTH-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H]2CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001691082132 1405016318 /nfs/dbraw/zinc/01/63/18/1405016318.db2.gz GDPVYXYZCROONL-IEBWSBKVSA-N 2 1 343.515 3.121 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001691154053 1405087934 /nfs/dbraw/zinc/08/79/34/1405087934.db2.gz JEUCGCPVSNIAKR-VQIMIIECSA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccccc1F ZINC001691500510 1405305439 /nfs/dbraw/zinc/30/54/39/1405305439.db2.gz PQTVFPOSRHMMRY-VQIMIIECSA-N 2 1 349.494 3.198 20 0 EGADMP CCCN(C(=O)CCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001691866930 1405586808 /nfs/dbraw/zinc/58/68/08/1405586808.db2.gz JZMJPDNTCCIWBC-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CCN(C(=O)C[NH+]1CCC(C)CC1)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001698588722 1406208686 /nfs/dbraw/zinc/20/86/86/1406208686.db2.gz SOVDFRFTSPJLIE-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)C1(C(=O)N2CC[C@H](C[N@@H+](C)CCCC(C)(C)C)C2)CCC1 ZINC001732072731 1428322608 /nfs/dbraw/zinc/32/26/08/1428322608.db2.gz UMPPZPJVAKXDCR-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001732091220 1428357178 /nfs/dbraw/zinc/35/71/78/1428357178.db2.gz GXAUFWBJNYIZTB-HBFSDRIKSA-N 2 1 345.531 3.223 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC2C[NH+](CCCC(C)(C)C)C2)o1 ZINC001732118146 1428370300 /nfs/dbraw/zinc/37/03/00/1428370300.db2.gz ADDICAKRZGWDDF-UHFFFAOYSA-N 2 1 349.519 3.362 20 0 EGADMP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001732186271 1428436234 /nfs/dbraw/zinc/43/62/34/1428436234.db2.gz RSBSJXIFJVBUCO-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H](C[N@@H+](C)Cc1ccc2ccccc2c1)NC(=O)CCC[NH+](C)C ZINC001699460850 1412814063 /nfs/dbraw/zinc/81/40/63/1412814063.db2.gz FQBNUCXVDUBAAM-KRWDZBQOSA-N 2 1 341.499 3.118 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001699579858 1412935843 /nfs/dbraw/zinc/93/58/43/1412935843.db2.gz TXDBQTRENGWQOQ-JXFKEZNVSA-N 2 1 343.515 3.025 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001699804190 1413216297 /nfs/dbraw/zinc/21/62/97/1413216297.db2.gz QVPKDDOCSDARIS-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001699804190 1413216301 /nfs/dbraw/zinc/21/63/01/1413216301.db2.gz QVPKDDOCSDARIS-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001699804190 1413216304 /nfs/dbraw/zinc/21/63/04/1413216304.db2.gz QVPKDDOCSDARIS-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001699827178 1413254189 /nfs/dbraw/zinc/25/41/89/1413254189.db2.gz VNIUSTOCSHBBRS-RXVVDRJESA-N 2 1 343.515 3.204 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2c(C)cccc2C)[C@@H](C)C1 ZINC001700320784 1413786094 /nfs/dbraw/zinc/78/60/94/1413786094.db2.gz ROSYKNBPVWMQKG-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2c(C)cccc2C)[C@@H](C)C1 ZINC001700320784 1413786097 /nfs/dbraw/zinc/78/60/97/1413786097.db2.gz ROSYKNBPVWMQKG-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2c(C)cccc2C)[C@@H](C)C1 ZINC001700320784 1413786101 /nfs/dbraw/zinc/78/61/01/1413786101.db2.gz ROSYKNBPVWMQKG-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCCC[NH+]1Cc1cccc(F)c1 ZINC001700530877 1414197321 /nfs/dbraw/zinc/19/73/21/1414197321.db2.gz HLIPDKJQWOVPOQ-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1cccc(F)c1 ZINC001700530877 1414197323 /nfs/dbraw/zinc/19/73/23/1414197323.db2.gz HLIPDKJQWOVPOQ-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCCC[N@H+]1Cc1cccc(F)c1 ZINC001700530877 1414197327 /nfs/dbraw/zinc/19/73/27/1414197327.db2.gz HLIPDKJQWOVPOQ-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP C[N@@H+](CCCC1CCCC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001700694594 1414349359 /nfs/dbraw/zinc/34/93/59/1414349359.db2.gz DOBAMLLNLNORKC-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001700694594 1414349364 /nfs/dbraw/zinc/34/93/64/1414349364.db2.gz DOBAMLLNLNORKC-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001700694594 1414349368 /nfs/dbraw/zinc/34/93/68/1414349368.db2.gz DOBAMLLNLNORKC-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CCC[N@H+]1CC1CCC1 ZINC001700890980 1414550556 /nfs/dbraw/zinc/55/05/56/1414550556.db2.gz XZLGVLFJWASBHM-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001707091636 1417197506 /nfs/dbraw/zinc/19/75/06/1417197506.db2.gz YTGRKVHHEVRERK-IYARVYRRSA-N 2 1 337.552 3.029 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001707439010 1417343189 /nfs/dbraw/zinc/34/31/89/1417343189.db2.gz BRMNZFIXKPUSSU-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]([NH2+]CC1CCC(C)(C)CC1)C1CC1)C1CCC1 ZINC001713112156 1417674947 /nfs/dbraw/zinc/67/49/47/1417674947.db2.gz GIMIGEBTVSTISZ-LJQANCHMSA-N 2 1 349.563 3.172 20 0 EGADMP Cc1cccc(C[N@@H+]2CCC[C@@H]([C@H](C)NC(=O)CCC[NH+](C)C)C2)c1 ZINC001713277522 1417899530 /nfs/dbraw/zinc/89/95/30/1417899530.db2.gz JOFKEFAWZKIOGB-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713396626 1418013159 /nfs/dbraw/zinc/01/31/59/1418013159.db2.gz FLZVUJJMNFOUQM-SFHVURJKSA-N 2 1 339.568 3.323 20 0 EGADMP CCC(CC)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001713396626 1418013168 /nfs/dbraw/zinc/01/31/68/1418013168.db2.gz FLZVUJJMNFOUQM-SFHVURJKSA-N 2 1 339.568 3.323 20 0 EGADMP CCC(CC)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001713396626 1418013169 /nfs/dbraw/zinc/01/31/69/1418013169.db2.gz FLZVUJJMNFOUQM-SFHVURJKSA-N 2 1 339.568 3.323 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001713477388 1418159970 /nfs/dbraw/zinc/15/99/70/1418159970.db2.gz NIUMQGPJVBMXKY-QGZVFWFLSA-N 2 1 349.494 3.201 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)[C@H](C)c1cccc(C)c1 ZINC001713497707 1418210669 /nfs/dbraw/zinc/21/06/69/1418210669.db2.gz WIXGILQWMQDKBE-UYAOXDASSA-N 2 1 345.531 3.369 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)[C@H](C)c1cccc(C)c1 ZINC001713497707 1418210673 /nfs/dbraw/zinc/21/06/73/1418210673.db2.gz WIXGILQWMQDKBE-UYAOXDASSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@@H](CC)c1ccc(F)cc1 ZINC001713517133 1418253198 /nfs/dbraw/zinc/25/31/98/1418253198.db2.gz CZSGCYNOZRRJNH-MOPGFXCFSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1[C@@H](CC)c1ccc(F)cc1 ZINC001713517133 1418253206 /nfs/dbraw/zinc/25/32/06/1418253206.db2.gz CZSGCYNOZRRJNH-MOPGFXCFSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1[C@@H](CC)c1ccc(F)cc1 ZINC001713517133 1418253211 /nfs/dbraw/zinc/25/32/11/1418253211.db2.gz CZSGCYNOZRRJNH-MOPGFXCFSA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([C@H](C)[NH2+]CCC2CC2)CC1 ZINC001713681838 1418433518 /nfs/dbraw/zinc/43/35/18/1418433518.db2.gz OGZOEHYHBXGFTL-INIZCTEOSA-N 2 1 346.519 3.023 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001713682455 1418434767 /nfs/dbraw/zinc/43/47/67/1418434767.db2.gz BKNQXDIBMCLCIQ-ZWKOTPCHSA-N 2 1 345.531 3.306 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@@H](CCNC(=O)CCC[NH+](C)C)C2)c1 ZINC001713735928 1418529161 /nfs/dbraw/zinc/52/91/61/1418529161.db2.gz ZOQJGWTZABHUCU-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001713737841 1418535214 /nfs/dbraw/zinc/53/52/14/1418535214.db2.gz NSQXDSJYBWXCQA-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001713737841 1418535216 /nfs/dbraw/zinc/53/52/16/1418535216.db2.gz NSQXDSJYBWXCQA-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001713737841 1418535217 /nfs/dbraw/zinc/53/52/17/1418535217.db2.gz NSQXDSJYBWXCQA-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCCC[NH+]1CCC(N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001713785247 1418601908 /nfs/dbraw/zinc/60/19/08/1418601908.db2.gz APYXURVIIAROTH-FQEVSTJZSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001714021571 1418804946 /nfs/dbraw/zinc/80/49/46/1418804946.db2.gz OTHWZIVJHUCPTR-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001714021571 1418804951 /nfs/dbraw/zinc/80/49/51/1418804951.db2.gz OTHWZIVJHUCPTR-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001714021571 1418804955 /nfs/dbraw/zinc/80/49/55/1418804955.db2.gz OTHWZIVJHUCPTR-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2(C[NH2+]C[C@@H](C)CC)CCCC2)C1 ZINC001714140714 1418943613 /nfs/dbraw/zinc/94/36/13/1418943613.db2.gz TWIXFBFRHJMDBD-ROUUACIJSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001714149805 1418955511 /nfs/dbraw/zinc/95/55/11/1418955511.db2.gz FUFDNFJMGCXZRQ-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](NC(=O)C[NH+](C)C1CCC1)[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001714149805 1418955512 /nfs/dbraw/zinc/95/55/12/1418955512.db2.gz FUFDNFJMGCXZRQ-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](NC(=O)C[NH+](C)C1CCC1)[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001714149805 1418955517 /nfs/dbraw/zinc/95/55/17/1418955517.db2.gz FUFDNFJMGCXZRQ-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CC2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCCC2)c1 ZINC001714150744 1418957290 /nfs/dbraw/zinc/95/72/90/1418957290.db2.gz HGCCQAZLBKSDQH-PKOBYXMFSA-N 2 1 343.515 3.026 20 0 EGADMP CCc1ccc(C[N@@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001714542073 1419267333 /nfs/dbraw/zinc/26/73/33/1419267333.db2.gz GCBBBNYMEXZTTE-UHFFFAOYSA-N 2 1 345.531 3.062 20 0 EGADMP Cc1ccc(C)c(C[N@@H+](C)CCNC(=O)CCC[NH+]2CCCCC2)c1 ZINC001714573331 1419307525 /nfs/dbraw/zinc/30/75/25/1419307525.db2.gz JOVNNDJWBUXSQX-UHFFFAOYSA-N 2 1 345.531 3.118 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001714728424 1419485726 /nfs/dbraw/zinc/48/57/26/1419485726.db2.gz UIHSNYVBFYNQMD-QFBILLFUSA-N 2 1 349.494 3.055 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001714758169 1419496788 /nfs/dbraw/zinc/49/67/88/1419496788.db2.gz YQEYSJMGETVSNI-KRWDZBQOSA-N 2 1 333.520 3.082 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC(C)(C)CC1 ZINC001714849486 1419561208 /nfs/dbraw/zinc/56/12/08/1419561208.db2.gz IWGQRHSECRQYLF-KDURUIRLSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC(C)(C)CC1 ZINC001714849486 1419561212 /nfs/dbraw/zinc/56/12/12/1419561212.db2.gz IWGQRHSECRQYLF-KDURUIRLSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC(C)(C)CC1 ZINC001714849486 1419561215 /nfs/dbraw/zinc/56/12/15/1419561215.db2.gz IWGQRHSECRQYLF-KDURUIRLSA-N 2 1 349.563 3.220 20 0 EGADMP CCCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001714863706 1419588747 /nfs/dbraw/zinc/58/87/47/1419588747.db2.gz VEYHRZRVRFLLPW-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)CC[N@H+](C)CC)[C@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001714863706 1419588750 /nfs/dbraw/zinc/58/87/50/1419588750.db2.gz VEYHRZRVRFLLPW-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)CC[N@@H+](C)CC)[C@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001714863706 1419588752 /nfs/dbraw/zinc/58/87/52/1419588752.db2.gz VEYHRZRVRFLLPW-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001714997024 1419728925 /nfs/dbraw/zinc/72/89/25/1419728925.db2.gz IBPWHYKFHPPLIR-WBVHZDCISA-N 2 1 346.519 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001714997024 1419728927 /nfs/dbraw/zinc/72/89/27/1419728927.db2.gz IBPWHYKFHPPLIR-WBVHZDCISA-N 2 1 346.519 3.023 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001715044300 1419784417 /nfs/dbraw/zinc/78/44/17/1419784417.db2.gz OKNMPIHLSVIZGU-MOPGFXCFSA-N 2 1 345.531 3.321 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC2(CC[NH+](CC)C2)CC1)c1ccccc1 ZINC001715216952 1419949716 /nfs/dbraw/zinc/94/97/16/1419949716.db2.gz KBIIRZUWQWOCSV-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CCC2(CC[N@H+](CC)C2)CC1)c1ccccc1 ZINC001715216952 1419949718 /nfs/dbraw/zinc/94/97/18/1419949718.db2.gz KBIIRZUWQWOCSV-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CCC2(CC[N@@H+](CC)C2)CC1)c1ccccc1 ZINC001715216952 1419949720 /nfs/dbraw/zinc/94/97/20/1419949720.db2.gz KBIIRZUWQWOCSV-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CC(C)[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001715384419 1420081173 /nfs/dbraw/zinc/08/11/73/1420081173.db2.gz IJIWQSPANDUCLF-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1ccc(C)c(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001715391104 1420088494 /nfs/dbraw/zinc/08/84/94/1420088494.db2.gz UGAUSUYRJRZKOS-WOJBJXKFSA-N 2 1 345.531 3.018 20 0 EGADMP CCC(CC)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001715394608 1420092099 /nfs/dbraw/zinc/09/20/99/1420092099.db2.gz ZMNGVNSGQJFNEK-APWZRJJASA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCCC(C)(C)C)C2)CC1 ZINC001715542181 1420240207 /nfs/dbraw/zinc/24/02/07/1420240207.db2.gz DLCJVKDWXITNDB-MSOLQXFVSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(C)ccc1C ZINC001716072156 1420527851 /nfs/dbraw/zinc/52/78/51/1420527851.db2.gz CLJHDMGZOFSGCO-AZUAARDMSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001716684803 1420838274 /nfs/dbraw/zinc/83/82/74/1420838274.db2.gz CVFKWMGNWBRGKF-HKUYNNGSSA-N 2 1 349.563 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001717010825 1421076615 /nfs/dbraw/zinc/07/66/15/1421076615.db2.gz QXOVTTHITDJTOY-OTWHNJEPSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001717010825 1421076618 /nfs/dbraw/zinc/07/66/18/1421076618.db2.gz QXOVTTHITDJTOY-OTWHNJEPSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001717010825 1421076619 /nfs/dbraw/zinc/07/66/19/1421076619.db2.gz QXOVTTHITDJTOY-OTWHNJEPSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCC1 ZINC001717153036 1421143505 /nfs/dbraw/zinc/14/35/05/1421143505.db2.gz MAVRXTYJMPQCCV-LJQANCHMSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001717356305 1421291178 /nfs/dbraw/zinc/29/11/78/1421291178.db2.gz SWGJVYWVFSDLFW-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001717356305 1421291180 /nfs/dbraw/zinc/29/11/80/1421291180.db2.gz SWGJVYWVFSDLFW-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001717356305 1421291181 /nfs/dbraw/zinc/29/11/81/1421291181.db2.gz SWGJVYWVFSDLFW-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+](CC(C)C)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001717357629 1421293353 /nfs/dbraw/zinc/29/33/53/1421293353.db2.gz YJFLSDNECDUNBE-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001717459548 1421389072 /nfs/dbraw/zinc/38/90/72/1421389072.db2.gz GNAMGTPSORTBKA-MSOLQXFVSA-N 2 1 345.531 3.082 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001733351850 1429532898 /nfs/dbraw/zinc/53/28/98/1429532898.db2.gz IIWDVTZZTGEGJX-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@](C)(NC(=O)CCC[NH+]3CCCC3)C2)cs1 ZINC001733415921 1429620207 /nfs/dbraw/zinc/62/02/07/1429620207.db2.gz IIDIBBJRZMLXJM-LJQANCHMSA-N 2 1 349.544 3.013 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001733444050 1429653020 /nfs/dbraw/zinc/65/30/20/1429653020.db2.gz VZJJSLIXRAPFGH-GHTZIAJQSA-N 2 1 345.531 3.226 20 0 EGADMP C[NH+](C)CC1(C(=O)NCC[N@@H+](CC2CCC2)C2CCCCCC2)CC1 ZINC001723640783 1424507412 /nfs/dbraw/zinc/50/74/12/1424507412.db2.gz LJKSSXZISHKZAN-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CCc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC2)cc1 ZINC001724848236 1425204254 /nfs/dbraw/zinc/20/42/54/1425204254.db2.gz YHZVTVWJKMDTQE-PMACEKPBSA-N 2 1 345.531 3.060 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1ccccc1C ZINC001724860341 1425242625 /nfs/dbraw/zinc/24/26/25/1425242625.db2.gz NCMDGIZUHFOVRC-KRWDZBQOSA-N 2 1 342.487 3.041 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)CCC[N@H+](C)[C@@H](C)c1ccccc1C ZINC001724860341 1425242632 /nfs/dbraw/zinc/24/26/32/1425242632.db2.gz NCMDGIZUHFOVRC-KRWDZBQOSA-N 2 1 342.487 3.041 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2F)[C@@H](C)C1 ZINC001725002643 1425411711 /nfs/dbraw/zinc/41/17/11/1425411711.db2.gz LMQGBFPWRUXSTK-FUHWJXTLSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2F)[C@@H](C)C1 ZINC001725002643 1425411713 /nfs/dbraw/zinc/41/17/13/1425411713.db2.gz LMQGBFPWRUXSTK-FUHWJXTLSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2F)[C@@H](C)C1 ZINC001725002643 1425411717 /nfs/dbraw/zinc/41/17/17/1425411717.db2.gz LMQGBFPWRUXSTK-FUHWJXTLSA-N 2 1 349.494 3.027 20 0 EGADMP CCCC[N@@H+](CC)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001725027458 1425447493 /nfs/dbraw/zinc/44/74/93/1425447493.db2.gz RQTHCRVXPZJEEJ-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@@H](C)c1ccccc1Cl ZINC001725188937 1425728652 /nfs/dbraw/zinc/72/86/52/1425728652.db2.gz KXGVTWGVMPTGJD-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC001725188937 1425728660 /nfs/dbraw/zinc/72/86/60/1425728660.db2.gz KXGVTWGVMPTGJD-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC001725188937 1425728664 /nfs/dbraw/zinc/72/86/64/1425728664.db2.gz KXGVTWGVMPTGJD-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2c(C)cccc2C)C[C@H]1C ZINC001725581756 1426237259 /nfs/dbraw/zinc/23/72/59/1426237259.db2.gz BWAWVOMGNBQACX-MOPGFXCFSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@@H]1C ZINC001725585269 1426240095 /nfs/dbraw/zinc/24/00/95/1426240095.db2.gz GZXXDKBHUFYYAV-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001731553656 1427577251 /nfs/dbraw/zinc/57/72/51/1427577251.db2.gz IEJIKEOYWMKIOE-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](NC(=O)C[NH+](C)C1CCC1)[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001731553656 1427577257 /nfs/dbraw/zinc/57/72/57/1427577257.db2.gz IEJIKEOYWMKIOE-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CCC1CC1)[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001731709816 1427765705 /nfs/dbraw/zinc/76/57/05/1427765705.db2.gz FVAYWAKYGAFEHX-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1)C1CCCCC1 ZINC001731709816 1427765707 /nfs/dbraw/zinc/76/57/07/1427765707.db2.gz FVAYWAKYGAFEHX-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1)C1CCCCC1 ZINC001731709816 1427765712 /nfs/dbraw/zinc/76/57/12/1427765712.db2.gz FVAYWAKYGAFEHX-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)[C@@H](C)c1ccc(F)cc1 ZINC001731816495 1428012931 /nfs/dbraw/zinc/01/29/31/1428012931.db2.gz MBWFAGKKVZUXQU-KRWDZBQOSA-N 2 1 349.494 3.201 20 0 EGADMP CC1CC[NH+](CC(=O)NCC[N@@H+](CCCC(C)(C)C)C2CC2)CC1 ZINC001731883862 1428156899 /nfs/dbraw/zinc/15/68/99/1428156899.db2.gz LQVRFEDQSSDEOL-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C/CC[N@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc2C1 ZINC001733836545 1430109947 /nfs/dbraw/zinc/10/99/47/1430109947.db2.gz YSGWQODGFKYBBS-DUIUGDAFSA-N 2 1 343.515 3.315 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)CCCC2CCCC2)CC1 ZINC001734272194 1438002598 /nfs/dbraw/zinc/00/25/98/1438002598.db2.gz MOVLWKYVGBRXID-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)CCCC2CCCC2)CC1 ZINC001734272194 1438002601 /nfs/dbraw/zinc/00/26/01/1438002601.db2.gz MOVLWKYVGBRXID-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)CCCC2CCCC2)CC1 ZINC001734272194 1438002605 /nfs/dbraw/zinc/00/26/05/1438002605.db2.gz MOVLWKYVGBRXID-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001734351876 1438069625 /nfs/dbraw/zinc/06/96/25/1438069625.db2.gz IBTHECMUAXQGMU-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCC2CCCCCC2)C[C@@H]1C ZINC001734430544 1438094342 /nfs/dbraw/zinc/09/43/42/1438094342.db2.gz WKFJXACQGPTCDD-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CCC1CCCC1 ZINC001752073614 1440138047 /nfs/dbraw/zinc/13/80/47/1440138047.db2.gz REJHXVWZIWUCHK-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CCC1CCCC1 ZINC001752073614 1440138048 /nfs/dbraw/zinc/13/80/48/1440138048.db2.gz REJHXVWZIWUCHK-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)CCC1CCCC1 ZINC001752073614 1440138050 /nfs/dbraw/zinc/13/80/50/1440138050.db2.gz REJHXVWZIWUCHK-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001752120826 1440142708 /nfs/dbraw/zinc/14/27/08/1440142708.db2.gz COIAPDYUEBXJHI-UHFFFAOYSA-N 2 1 347.547 3.262 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001752120826 1440142709 /nfs/dbraw/zinc/14/27/09/1440142709.db2.gz COIAPDYUEBXJHI-UHFFFAOYSA-N 2 1 347.547 3.262 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001752120826 1440142710 /nfs/dbraw/zinc/14/27/10/1440142710.db2.gz COIAPDYUEBXJHI-UHFFFAOYSA-N 2 1 347.547 3.262 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](CC1CC2(CCC2)C1)C1CC1 ZINC001752267199 1440162630 /nfs/dbraw/zinc/16/26/30/1440162630.db2.gz WJAFWUBPHVVCSC-LJQANCHMSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCCC[N@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001752267199 1440162632 /nfs/dbraw/zinc/16/26/32/1440162632.db2.gz WJAFWUBPHVVCSC-LJQANCHMSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCCC[N@@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001752267199 1440162634 /nfs/dbraw/zinc/16/26/34/1440162634.db2.gz WJAFWUBPHVVCSC-LJQANCHMSA-N 2 1 347.547 3.022 20 0 EGADMP CCC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001752436865 1440180419 /nfs/dbraw/zinc/18/04/19/1440180419.db2.gz ZTVSBUAWOBZPLF-YSKLNCTFSA-N 2 1 347.547 3.045 20 0 EGADMP CCCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001752440029 1440181045 /nfs/dbraw/zinc/18/10/45/1440181045.db2.gz SNWTWGRYJBJFGF-HKUYNNGSSA-N 2 1 335.536 3.115 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001752698104 1440201365 /nfs/dbraw/zinc/20/13/65/1440201365.db2.gz CULLVEQKODEBTN-IHWFROFDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001752698104 1440201366 /nfs/dbraw/zinc/20/13/66/1440201366.db2.gz CULLVEQKODEBTN-IHWFROFDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC001752698104 1440201367 /nfs/dbraw/zinc/20/13/67/1440201367.db2.gz CULLVEQKODEBTN-IHWFROFDSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752706775 1440202909 /nfs/dbraw/zinc/20/29/09/1440202909.db2.gz RFWQFRHEOVDGDD-UYAOXDASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001752706775 1440202910 /nfs/dbraw/zinc/20/29/10/1440202910.db2.gz RFWQFRHEOVDGDD-UYAOXDASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001752706775 1440202911 /nfs/dbraw/zinc/20/29/11/1440202911.db2.gz RFWQFRHEOVDGDD-UYAOXDASSA-N 2 1 349.563 3.362 20 0 EGADMP CCCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001752787224 1440211891 /nfs/dbraw/zinc/21/18/91/1440211891.db2.gz IZSVWJHDPKMJNJ-RTBURBONSA-N 2 1 337.552 3.269 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001752800043 1440214854 /nfs/dbraw/zinc/21/48/54/1440214854.db2.gz SWZKFCXFSLLDAC-YZGWKJHDSA-N 2 1 347.547 3.045 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001752809553 1440216295 /nfs/dbraw/zinc/21/62/95/1440216295.db2.gz GPWDWOFATNJCMU-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP Cc1cccc(C)c1C[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001752825675 1440223570 /nfs/dbraw/zinc/22/35/70/1440223570.db2.gz YMILTRJFUPJRLS-IBGZPJMESA-N 2 1 345.531 3.114 20 0 EGADMP Cc1cccc(C)c1C[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001752825675 1440223571 /nfs/dbraw/zinc/22/35/71/1440223571.db2.gz YMILTRJFUPJRLS-IBGZPJMESA-N 2 1 345.531 3.114 20 0 EGADMP Cc1cccc(C)c1C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001752825675 1440223572 /nfs/dbraw/zinc/22/35/72/1440223572.db2.gz YMILTRJFUPJRLS-IBGZPJMESA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001752841710 1440230941 /nfs/dbraw/zinc/23/09/41/1440230941.db2.gz SINIVFQZJYMTQC-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001752842012 1440231075 /nfs/dbraw/zinc/23/10/75/1440231075.db2.gz UGXLLOCVWOMJGX-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]CCC2CCCCC2)C1 ZINC001752894555 1440241442 /nfs/dbraw/zinc/24/14/42/1440241442.db2.gz JLGIWIWDZFQEIL-MJGOQNOKSA-N 2 1 337.552 3.173 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001752996464 1440262298 /nfs/dbraw/zinc/26/22/98/1440262298.db2.gz DFFBCKPGONAALU-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001752996464 1440262299 /nfs/dbraw/zinc/26/22/99/1440262299.db2.gz DFFBCKPGONAALU-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001752996464 1440262300 /nfs/dbraw/zinc/26/23/00/1440262300.db2.gz DFFBCKPGONAALU-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@@H]2CCCNC(=O)C[NH+]2CCCC2)cs1 ZINC001753040243 1440276012 /nfs/dbraw/zinc/27/60/12/1440276012.db2.gz UIERRAUNXYBNOB-SFHVURJKSA-N 2 1 349.544 3.013 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@H+](C)CC1CCC(C)CC1 ZINC001753049693 1440278656 /nfs/dbraw/zinc/27/86/56/1440278656.db2.gz MWPPEKQREZYKAP-LXPRWKDFSA-N 2 1 348.535 3.271 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@@H+](C)CC1CCC(C)CC1 ZINC001753049693 1440278657 /nfs/dbraw/zinc/27/86/57/1440278657.db2.gz MWPPEKQREZYKAP-LXPRWKDFSA-N 2 1 348.535 3.271 20 0 EGADMP C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccsc1)[NH+]1CCCCCC1 ZINC001753112504 1440309401 /nfs/dbraw/zinc/30/94/01/1440309401.db2.gz FBWHQNZRASCFRD-FUHWJXTLSA-N 2 1 349.544 3.093 20 0 EGADMP CC1(C)CC(C[N@H+]2CCC[C@H]2CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001753114135 1440310288 /nfs/dbraw/zinc/31/02/88/1440310288.db2.gz CMQKWGQHCJHXCP-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CC1CCCCCC1 ZINC001753117287 1440312068 /nfs/dbraw/zinc/31/20/68/1440312068.db2.gz ZUKCEPNRSCPNKS-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001753117287 1440312069 /nfs/dbraw/zinc/31/20/69/1440312069.db2.gz ZUKCEPNRSCPNKS-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001753117287 1440312070 /nfs/dbraw/zinc/31/20/70/1440312070.db2.gz ZUKCEPNRSCPNKS-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1cccc(F)c1 ZINC001753209105 1440338994 /nfs/dbraw/zinc/33/89/94/1440338994.db2.gz ZTSPAHMONSCRPB-APWZRJJASA-N 2 1 349.494 3.055 20 0 EGADMP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001753240474 1440342092 /nfs/dbraw/zinc/34/20/92/1440342092.db2.gz UITLQQSCIBITAS-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+]CCC(C)(C)C)CC1 ZINC001753279884 1440347184 /nfs/dbraw/zinc/34/71/84/1440347184.db2.gz AIPIGIXDCDPBQT-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP CCCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC001753323876 1440365447 /nfs/dbraw/zinc/36/54/47/1440365447.db2.gz SETYXHGQRDZLRV-MHJFOBGBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccc(CC)cc2)C1 ZINC001753325454 1440366306 /nfs/dbraw/zinc/36/63/06/1440366306.db2.gz AKDHMYRGBPSPJS-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CC/C=C\CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001753328962 1440368378 /nfs/dbraw/zinc/36/83/78/1440368378.db2.gz QYSJXHXONWUIJC-KDHUBKHVSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001753328962 1440368379 /nfs/dbraw/zinc/36/83/79/1440368379.db2.gz QYSJXHXONWUIJC-KDHUBKHVSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001753328962 1440368380 /nfs/dbraw/zinc/36/83/80/1440368380.db2.gz QYSJXHXONWUIJC-KDHUBKHVSA-N 2 1 349.563 3.386 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001753351506 1440378146 /nfs/dbraw/zinc/37/81/46/1440378146.db2.gz FDSULUHPTKDTKK-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001753351506 1440378147 /nfs/dbraw/zinc/37/81/47/1440378147.db2.gz FDSULUHPTKDTKK-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001753351506 1440378148 /nfs/dbraw/zinc/37/81/48/1440378148.db2.gz FDSULUHPTKDTKK-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CC[C@H](C[N@@H+](C)CCC3CC3)C2)CCCCC1 ZINC001753352108 1440378337 /nfs/dbraw/zinc/37/83/37/1440378337.db2.gz ITOMVVJNFPLQHP-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCN(C(=O)CCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001753462721 1440411657 /nfs/dbraw/zinc/41/16/57/1440411657.db2.gz ZSZZLILNQJLAGX-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001753581984 1440440354 /nfs/dbraw/zinc/44/03/54/1440440354.db2.gz FLRZGDLVVZXZHW-CADBVGFASA-N 2 1 337.552 3.170 20 0 EGADMP CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001753587383 1440441735 /nfs/dbraw/zinc/44/17/35/1440441735.db2.gz UIOMXSCXWZURDV-VAMGGRTRSA-N 2 1 345.531 3.497 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CCC(C)(C)C)cc1 ZINC001753589133 1440442289 /nfs/dbraw/zinc/44/22/89/1440442289.db2.gz OMOFWCDGZSFQIM-LJQANCHMSA-N 2 1 345.531 3.313 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001753664854 1440459938 /nfs/dbraw/zinc/45/99/38/1440459938.db2.gz FRHVZHFEQCHIIZ-IBGZPJMESA-N 2 1 349.563 3.460 20 0 EGADMP C[C@@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001753694682 1440467294 /nfs/dbraw/zinc/46/72/94/1440467294.db2.gz DTLCDZDEWABOMK-PXNSSMCTSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC2CCCC2)C1 ZINC001753709319 1440470108 /nfs/dbraw/zinc/47/01/08/1440470108.db2.gz WEAQHCQRPGGPAC-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC2=CCCCC2)C1 ZINC001753800085 1440490746 /nfs/dbraw/zinc/49/07/46/1440490746.db2.gz VBXOBWWEMCEBMY-PKOBYXMFSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCCC(C)(C)C)C2)CC1 ZINC001753876115 1440519225 /nfs/dbraw/zinc/51/92/25/1440519225.db2.gz RABLMMLEGNCXRX-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCN(CC[NH2+]CC1CC(C)(C)C1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001754048926 1440535523 /nfs/dbraw/zinc/53/55/23/1440535523.db2.gz BELLYSRIGYTLEH-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP CCN(CC[NH2+]Cc1c(C)cccc1C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001754084764 1440539936 /nfs/dbraw/zinc/53/99/36/1440539936.db2.gz NNPGOGYVILVUBI-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001754120363 1440542698 /nfs/dbraw/zinc/54/26/98/1440542698.db2.gz SCAWZIJEYMFHQK-LIHUFFQZSA-N 2 1 347.478 3.022 20 0 EGADMP C[C@@H](C[NH2+]CC1CCCC1)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001754279569 1440562855 /nfs/dbraw/zinc/56/28/55/1440562855.db2.gz ABDPMHIHQOXQSF-QFBILLFUSA-N 2 1 335.536 3.068 20 0 EGADMP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC001754285652 1440564239 /nfs/dbraw/zinc/56/42/39/1440564239.db2.gz GVAJRGRTPAMPTJ-AZUAARDMSA-N 2 1 345.531 3.161 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001754314192 1440574539 /nfs/dbraw/zinc/57/45/39/1440574539.db2.gz MMISXTKZDHDIKV-ZWKOTPCHSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001754326450 1440581017 /nfs/dbraw/zinc/58/10/17/1440581017.db2.gz KGCOHUSYSQXQPT-UYAOXDASSA-N 2 1 345.531 3.194 20 0 EGADMP Cc1ccccc1C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001754326450 1440581018 /nfs/dbraw/zinc/58/10/18/1440581018.db2.gz KGCOHUSYSQXQPT-UYAOXDASSA-N 2 1 345.531 3.194 20 0 EGADMP Cc1ccccc1C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001754326450 1440581019 /nfs/dbraw/zinc/58/10/19/1440581019.db2.gz KGCOHUSYSQXQPT-UYAOXDASSA-N 2 1 345.531 3.194 20 0 EGADMP C[C@@H](C[N@@H+](C)CCC1=CCCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001754337160 1440587254 /nfs/dbraw/zinc/58/72/54/1440587254.db2.gz SDDMQNJCGCRAKZ-SFHVURJKSA-N 2 1 335.536 3.189 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC1=CCCCC1 ZINC001754401036 1440595243 /nfs/dbraw/zinc/59/52/43/1440595243.db2.gz OHYVBBPLMJMHCP-LJQANCHMSA-N 2 1 335.536 3.188 20 0 EGADMP CN(CCC[NH2+]CCCC(C)(C)C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001754402306 1440595400 /nfs/dbraw/zinc/59/54/00/1440595400.db2.gz CVOJFUMXYYHTBJ-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](C(=O)NC[C@H]1CC[N@H+]1CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001754496042 1440612272 /nfs/dbraw/zinc/61/22/72/1440612272.db2.gz SFFHXOZPEBEZIO-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+](CC(=O)NC[C@H]1CC[NH+]1CCCC(C)(C)C)Cc1ccccc1 ZINC001754505992 1440616429 /nfs/dbraw/zinc/61/64/29/1440616429.db2.gz ZHNCTUVSYVVNTE-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CC[NH+]1CCCC(C)(C)C)Cc1ccccc1 ZINC001754505992 1440616430 /nfs/dbraw/zinc/61/64/30/1440616430.db2.gz ZHNCTUVSYVVNTE-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CC[N@@H+]1CCCC(C)(C)C)Cc1ccccc1 ZINC001754505992 1440616431 /nfs/dbraw/zinc/61/64/31/1440616431.db2.gz ZHNCTUVSYVVNTE-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CC[N@H+]1CCCC(C)(C)C)Cc1ccccc1 ZINC001754505992 1440616432 /nfs/dbraw/zinc/61/64/32/1440616432.db2.gz ZHNCTUVSYVVNTE-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C[C@H]1C ZINC001754604239 1440642982 /nfs/dbraw/zinc/64/29/82/1440642982.db2.gz VBQWODOASLKUNN-IEBWSBKVSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC1(C)CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001754629416 1440647312 /nfs/dbraw/zinc/64/73/12/1440647312.db2.gz BTRBOQOXORKCSG-INIZCTEOSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC1(C)CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC001754629417 1440647325 /nfs/dbraw/zinc/64/73/25/1440647325.db2.gz BTRBOQOXORKCSG-MRXNPFEDSA-N 2 1 349.494 3.198 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1(C)CC[NH+](CCCC2CCC2)CC1 ZINC001754630067 1440647475 /nfs/dbraw/zinc/64/74/75/1440647475.db2.gz SNTCWAXSWAMYNG-HDICACEKSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCCCCC1)C1CCCC1 ZINC001754644530 1440649675 /nfs/dbraw/zinc/64/96/75/1440649675.db2.gz CHRSQHFPCYNSAJ-UXHICEINSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC2=CCCCC2)C2CCCC2)CC[N@H+]1C ZINC001754651627 1440652064 /nfs/dbraw/zinc/65/20/64/1440652064.db2.gz XPRSHFCAFISRJW-AHRSYUTCSA-N 2 1 347.547 3.092 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001754659653 1440654462 /nfs/dbraw/zinc/65/44/62/1440654462.db2.gz ZDCKALOMANWCBH-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001754660598 1440654733 /nfs/dbraw/zinc/65/47/33/1440654733.db2.gz ZQNQTYWKVSLAHE-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001754660598 1440654734 /nfs/dbraw/zinc/65/47/34/1440654734.db2.gz ZQNQTYWKVSLAHE-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001754660598 1440654735 /nfs/dbraw/zinc/65/47/35/1440654735.db2.gz ZQNQTYWKVSLAHE-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@]1(C)CC[N@H+](CC2=CCCCC2)C1 ZINC001754683027 1440663505 /nfs/dbraw/zinc/66/35/05/1440663505.db2.gz QQDSPTGLOHBMQE-FQEVSTJZSA-N 2 1 344.503 3.053 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@]1(C)CC[N@@H+](CC2=CCCCC2)C1 ZINC001754683027 1440663506 /nfs/dbraw/zinc/66/35/06/1440663506.db2.gz QQDSPTGLOHBMQE-FQEVSTJZSA-N 2 1 344.503 3.053 20 0 EGADMP CCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001754707075 1440669430 /nfs/dbraw/zinc/66/94/30/1440669430.db2.gz JPJKNSGVXJPAFO-QUCCMNQESA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001754718618 1440672420 /nfs/dbraw/zinc/67/24/20/1440672420.db2.gz HOTDWCCNRNYMQQ-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCC(C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001754722429 1440673955 /nfs/dbraw/zinc/67/39/55/1440673955.db2.gz WHRYLKMSSWQMAA-IBGZPJMESA-N 2 1 345.531 3.308 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@@H+](CCCC2CCCC2)C1 ZINC001754729279 1440678254 /nfs/dbraw/zinc/67/82/54/1440678254.db2.gz HACKDUPZEASMOI-FQEVSTJZSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001754837702 1440697166 /nfs/dbraw/zinc/69/71/66/1440697166.db2.gz RPRRUNHMDBOXMS-FQEVSTJZSA-N 2 1 345.531 3.278 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001754866953 1440703271 /nfs/dbraw/zinc/70/32/71/1440703271.db2.gz GCCXKXHTRYMPRD-HAGHYFMRSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001754866953 1440703272 /nfs/dbraw/zinc/70/32/72/1440703272.db2.gz GCCXKXHTRYMPRD-HAGHYFMRSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001754866953 1440703273 /nfs/dbraw/zinc/70/32/73/1440703273.db2.gz GCCXKXHTRYMPRD-HAGHYFMRSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001754945637 1440712672 /nfs/dbraw/zinc/71/26/72/1440712672.db2.gz DGBGBIZNAAYRFC-UHFFFAOYSA-N 2 1 345.531 3.408 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CCCC(C)(C)C)CC1 ZINC001754959100 1440717103 /nfs/dbraw/zinc/71/71/03/1440717103.db2.gz WVIUNKROAUFCKI-IYARVYRRSA-N 2 1 339.568 3.418 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001755028192 1440729771 /nfs/dbraw/zinc/72/97/71/1440729771.db2.gz BWPNCEDGOZOLFZ-PXPVJAHISA-N 2 1 335.536 3.045 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC001755031659 1440731774 /nfs/dbraw/zinc/73/17/74/1440731774.db2.gz XGDYOIPJOFZNFF-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)CC1 ZINC001755031659 1440731775 /nfs/dbraw/zinc/73/17/75/1440731775.db2.gz XGDYOIPJOFZNFF-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C)c(C)c2)CC1 ZINC001755031659 1440731776 /nfs/dbraw/zinc/73/17/76/1440731776.db2.gz XGDYOIPJOFZNFF-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001755034645 1440733524 /nfs/dbraw/zinc/73/35/24/1440733524.db2.gz VQBAWOBIAVKNTR-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001755043347 1440738859 /nfs/dbraw/zinc/73/88/59/1440738859.db2.gz SNIWQPJOKFDENV-UYAOXDASSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001755043347 1440738860 /nfs/dbraw/zinc/73/88/60/1440738860.db2.gz SNIWQPJOKFDENV-UYAOXDASSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001755043347 1440738861 /nfs/dbraw/zinc/73/88/61/1440738861.db2.gz SNIWQPJOKFDENV-UYAOXDASSA-N 2 1 345.531 3.260 20 0 EGADMP CC(C)=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001755130589 1440757109 /nfs/dbraw/zinc/75/71/09/1440757109.db2.gz LDDFXWVXBOXKSD-GOSISDBHSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001755144205 1440762455 /nfs/dbraw/zinc/76/24/55/1440762455.db2.gz YHSODENCIKQYMN-MOPGFXCFSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001755144205 1440762456 /nfs/dbraw/zinc/76/24/56/1440762456.db2.gz YHSODENCIKQYMN-MOPGFXCFSA-N 2 1 345.531 3.162 20 0 EGADMP CC/C=C\CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001755281576 1440800732 /nfs/dbraw/zinc/80/07/32/1440800732.db2.gz OMDQQWYDTOXHML-MGBKSAOESA-N 2 1 349.563 3.434 20 0 EGADMP C[C@H](CNC(=O)CCCC[NH+](C)C)[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC001755322544 1440819448 /nfs/dbraw/zinc/81/94/48/1440819448.db2.gz KNZBBFWAURDGTP-YLJYHZDGSA-N 2 1 345.531 3.232 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001755415395 1440848297 /nfs/dbraw/zinc/84/82/97/1440848297.db2.gz HTKIBQGUJSSYEW-RTBURBONSA-N 2 1 345.531 3.306 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001755415395 1440848298 /nfs/dbraw/zinc/84/82/98/1440848298.db2.gz HTKIBQGUJSSYEW-RTBURBONSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)CCC(C)(C)C)CC2)CC[N@H+]1C ZINC001755530066 1440866976 /nfs/dbraw/zinc/86/69/76/1440866976.db2.gz RGWWKZGTJKOXPX-ZWKOTPCHSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](C)CCC(C)(C)C)CC2)CC[NH+]1C ZINC001755530066 1440866977 /nfs/dbraw/zinc/86/69/77/1440866977.db2.gz RGWWKZGTJKOXPX-ZWKOTPCHSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](C)CCC(C)(C)C)CC2)CC[NH+]1C ZINC001755530066 1440866978 /nfs/dbraw/zinc/86/69/78/1440866978.db2.gz RGWWKZGTJKOXPX-ZWKOTPCHSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC2CCCCCC2)C[C@@H]1C ZINC001755690870 1440896620 /nfs/dbraw/zinc/89/66/20/1440896620.db2.gz ZALJHDBCOBUOLM-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001755700097 1440899785 /nfs/dbraw/zinc/89/97/85/1440899785.db2.gz CIOIJLCEEYQTLW-AZUAARDMSA-N 2 1 335.536 3.164 20 0 EGADMP CCCCCC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C3CCC3)CCC[C@H]12 ZINC001755700097 1440899786 /nfs/dbraw/zinc/89/97/86/1440899786.db2.gz CIOIJLCEEYQTLW-AZUAARDMSA-N 2 1 335.536 3.164 20 0 EGADMP CCCCCC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@H]12 ZINC001755700097 1440899787 /nfs/dbraw/zinc/89/97/87/1440899787.db2.gz CIOIJLCEEYQTLW-AZUAARDMSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC3CCCC3)[C@@H]2C1 ZINC001755712521 1440904006 /nfs/dbraw/zinc/90/40/06/1440904006.db2.gz MSVBOWSPKFDTKC-XUVXKRRUSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC3CCCC3)[C@@H]2C1 ZINC001755712182 1440904033 /nfs/dbraw/zinc/90/40/33/1440904033.db2.gz KWWOQPZXTNTPRR-ZCNNSNEGSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H](CC)c2ccccc2)C(C)(C)C1 ZINC001755765560 1440916097 /nfs/dbraw/zinc/91/60/97/1440916097.db2.gz RMAAPVKWALEJTI-RTBURBONSA-N 2 1 345.531 3.306 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1(C)C ZINC001755766546 1440916340 /nfs/dbraw/zinc/91/63/40/1440916340.db2.gz MHNXGXHNGCJPKO-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccc(C[N@H+](C)CCN(C(=O)[C@@H]2CCC[NH+]2C)C(C)C)c(C)c1 ZINC001755808698 1440918665 /nfs/dbraw/zinc/91/86/65/1440918665.db2.gz CEAUMPKZNCLARE-FQEVSTJZSA-N 2 1 345.531 3.066 20 0 EGADMP Cc1ccc(C[NH+](C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)c(C)c1 ZINC001755808698 1440918666 /nfs/dbraw/zinc/91/86/66/1440918666.db2.gz CEAUMPKZNCLARE-FQEVSTJZSA-N 2 1 345.531 3.066 20 0 EGADMP Cc1ccc(C[NH+](C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C(C)C)c(C)c1 ZINC001755808698 1440918667 /nfs/dbraw/zinc/91/86/67/1440918667.db2.gz CEAUMPKZNCLARE-FQEVSTJZSA-N 2 1 345.531 3.066 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)(C)C ZINC001755821836 1440925927 /nfs/dbraw/zinc/92/59/27/1440925927.db2.gz KGWIGFSQKANSNN-FYGUHAFLSA-N 2 1 337.552 3.194 20 0 EGADMP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)(C)C ZINC001755839891 1440931270 /nfs/dbraw/zinc/93/12/70/1440931270.db2.gz NHBMCGFQWGVONE-ROUUACIJSA-N 2 1 339.568 3.418 20 0 EGADMP CC(C)C[NH2+]Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+]2C)c(F)c1 ZINC001755901578 1440944106 /nfs/dbraw/zinc/94/41/06/1440944106.db2.gz WTJPVCIMSRSYBK-SFHVURJKSA-N 2 1 349.494 3.062 20 0 EGADMP CCOC(=O)CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000368375730 168348860 /nfs/dbraw/zinc/34/88/60/168348860.db2.gz XCCHITXVAIZGRP-PKOBYXMFSA-N 2 1 332.488 3.220 20 0 EGADMP CCOC(=O)CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000368375730 168348863 /nfs/dbraw/zinc/34/88/63/168348863.db2.gz XCCHITXVAIZGRP-PKOBYXMFSA-N 2 1 332.488 3.220 20 0 EGADMP CN(CC[N@@H+](C)Cc1ccc(C(F)F)cc1)C1CC[NH+](C)CC1 ZINC000183983288 529904034 /nfs/dbraw/zinc/90/40/34/529904034.db2.gz BQYWPZXISGHRGQ-UHFFFAOYSA-N 2 1 325.447 3.082 20 0 EGADMP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)o1 ZINC000180998150 234056807 /nfs/dbraw/zinc/05/68/07/234056807.db2.gz NKRAZFVKMIIORT-QSFXBCCZSA-N 2 1 340.467 3.259 20 0 EGADMP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)o1 ZINC000180998150 234056810 /nfs/dbraw/zinc/05/68/10/234056810.db2.gz NKRAZFVKMIIORT-QSFXBCCZSA-N 2 1 340.467 3.259 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000181759647 234312118 /nfs/dbraw/zinc/31/21/18/234312118.db2.gz DWFILQNUDSQDBR-LBPRGKRZSA-N 2 1 329.473 3.204 20 0 EGADMP Cc1cncc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000184260618 235349540 /nfs/dbraw/zinc/34/95/40/235349540.db2.gz BQIUUYXLTIGFMF-QGZVFWFLSA-N 2 1 325.456 3.073 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000129150847 223026960 /nfs/dbraw/zinc/02/69/60/223026960.db2.gz MZOCSTPBGWMMPK-HFAKWTLXSA-N 2 1 329.257 3.407 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000129150847 223026963 /nfs/dbraw/zinc/02/69/63/223026963.db2.gz MZOCSTPBGWMMPK-HFAKWTLXSA-N 2 1 329.257 3.407 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189242396 236804511 /nfs/dbraw/zinc/80/45/11/236804511.db2.gz KTTOUPHGDSHWSU-UHFFFAOYSA-N 2 1 341.434 3.145 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000130965021 223192359 /nfs/dbraw/zinc/19/23/59/223192359.db2.gz RYJFHRLLWDNRPO-MRXNPFEDSA-N 2 1 328.460 3.157 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000130965021 223192360 /nfs/dbraw/zinc/19/23/60/223192360.db2.gz RYJFHRLLWDNRPO-MRXNPFEDSA-N 2 1 328.460 3.157 20 0 EGADMP C[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000072726277 216300621 /nfs/dbraw/zinc/30/06/21/216300621.db2.gz YBNWHQSXOBHSNI-UHFFFAOYSA-N 2 1 347.466 3.118 20 0 EGADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000073478066 216389312 /nfs/dbraw/zinc/38/93/12/216389312.db2.gz VSVMHAJLXFMRLI-HXUWFJFHSA-N 2 1 328.431 3.113 20 0 EGADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000376320910 242064694 /nfs/dbraw/zinc/06/46/94/242064694.db2.gz XFSGQUITUPABOP-SIXLDLHFSA-N 2 1 344.421 3.188 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000236877328 242392750 /nfs/dbraw/zinc/39/27/50/242392750.db2.gz MKNGJKAPSFMMOJ-OXQOHEQNSA-N 2 1 339.483 3.091 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000264153362 246116305 /nfs/dbraw/zinc/11/63/05/246116305.db2.gz ZXIOJXMRGQATIE-UYAOXDASSA-N 2 1 345.531 3.306 20 0 EGADMP Clc1cc2c(cc1C[N@@H+]1CCC[C@H](n3ccnc3)C1)OCCO2 ZINC000377562296 169042565 /nfs/dbraw/zinc/04/25/65/169042565.db2.gz KLRYXLGPYHXAEZ-AWEZNQCLSA-N 2 1 333.819 3.145 20 0 EGADMP Clc1cc2c(cc1C[N@H+]1CCC[C@H](n3ccnc3)C1)OCCO2 ZINC000377562296 169042566 /nfs/dbraw/zinc/04/25/66/169042566.db2.gz KLRYXLGPYHXAEZ-AWEZNQCLSA-N 2 1 333.819 3.145 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000093693760 218244053 /nfs/dbraw/zinc/24/40/53/218244053.db2.gz LKCBBFZEPHXXHA-GOSISDBHSA-N 2 1 340.471 3.433 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000093693760 218244056 /nfs/dbraw/zinc/24/40/56/218244056.db2.gz LKCBBFZEPHXXHA-GOSISDBHSA-N 2 1 340.471 3.433 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000353516561 296314381 /nfs/dbraw/zinc/31/43/81/296314381.db2.gz BIEUGLPFJADJJP-DYESRHJHSA-N 2 1 343.515 3.067 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000237343333 296314396 /nfs/dbraw/zinc/31/43/96/296314396.db2.gz ZULXUFNJIDUKDJ-CRAIPNDOSA-N 2 1 331.504 3.051 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc(N2CCOCC2)c1 ZINC000268705057 252156448 /nfs/dbraw/zinc/15/64/48/252156448.db2.gz BLXSBJTUYXIWLK-MOPGFXCFSA-N 2 1 345.531 3.438 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC000268753067 252203678 /nfs/dbraw/zinc/20/36/78/252203678.db2.gz IOMHSSARKPMGDA-LPHOPBHVSA-N 2 1 325.456 3.233 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC000268753067 252203683 /nfs/dbraw/zinc/20/36/83/252203683.db2.gz IOMHSSARKPMGDA-LPHOPBHVSA-N 2 1 325.456 3.233 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000268763152 252212719 /nfs/dbraw/zinc/21/27/19/252212719.db2.gz IFVYVDUTBJGXCT-IPELMVKDSA-N 2 1 344.503 3.494 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000268763152 252212723 /nfs/dbraw/zinc/21/27/23/252212723.db2.gz IFVYVDUTBJGXCT-IPELMVKDSA-N 2 1 344.503 3.494 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000268775838 252226107 /nfs/dbraw/zinc/22/61/07/252226107.db2.gz VRVMTPWJBWJJOC-QFBILLFUSA-N 2 1 325.456 3.090 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000268775838 252226109 /nfs/dbraw/zinc/22/61/09/252226109.db2.gz VRVMTPWJBWJJOC-QFBILLFUSA-N 2 1 325.456 3.090 20 0 EGADMP CCOCCOCc1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000268794519 252245211 /nfs/dbraw/zinc/24/52/11/252245211.db2.gz FLFCDGRDASKEGC-PXNSSMCTSA-N 2 1 334.504 3.060 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000268797663 252249927 /nfs/dbraw/zinc/24/99/27/252249927.db2.gz GRZYNSDSIDQRKY-HOTGVXAUSA-N 2 1 344.503 3.351 20 0 EGADMP CCOCCOCc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000268818088 252269207 /nfs/dbraw/zinc/26/92/07/252269207.db2.gz NBNGTRAQZPNUNX-FUHIMQAGSA-N 2 1 334.504 3.058 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)CC1CCCC1 ZINC000358038323 285279715 /nfs/dbraw/zinc/27/97/15/285279715.db2.gz SFMJCMYPXYXRRM-HKUYNNGSSA-N 2 1 337.552 3.077 20 0 EGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCc2occc21 ZINC000193277372 285291616 /nfs/dbraw/zinc/29/16/16/285291616.db2.gz CQQONOPKKLVPIX-UYAOXDASSA-N 2 1 340.467 3.404 20 0 EGADMP c1c2ccccc2sc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000119515739 221337763 /nfs/dbraw/zinc/33/77/63/221337763.db2.gz RFRKODRVBPRVOQ-UHFFFAOYSA-N 2 1 329.513 3.115 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCSC(C)(C)C2)CC1 ZINC000353908730 285339265 /nfs/dbraw/zinc/33/92/65/285339265.db2.gz DDUFQGXMHGQNIL-UHFFFAOYSA-N 2 1 333.545 3.156 20 0 EGADMP Cc1noc([C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000408521394 257979140 /nfs/dbraw/zinc/97/91/40/257979140.db2.gz SDJLVEFEZPXBSE-IBGZPJMESA-N 2 1 340.471 3.353 20 0 EGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1C)CCCO2 ZINC000164594539 533289950 /nfs/dbraw/zinc/28/99/50/533289950.db2.gz ZYHDSPQICINPPF-SFHVURJKSA-N 2 1 329.444 3.484 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)CC[N@H+]1C ZINC000180902527 533649880 /nfs/dbraw/zinc/64/98/80/533649880.db2.gz DVJKZGSXPZJJBE-DOMZBBRYSA-N 2 1 334.851 3.005 20 0 EGADMP FC(F)(F)c1ccccc1OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246594393 141018832 /nfs/dbraw/zinc/01/88/32/141018832.db2.gz ZQZINUYHKGCGTQ-KGLIPLIRSA-N 2 1 328.378 3.301 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000338046761 141080907 /nfs/dbraw/zinc/08/09/07/141080907.db2.gz LDSONILYHZFZMH-JNIAIEOXSA-N 2 1 343.515 3.199 20 0 EGADMP C[N@H+]1CCC[C@H]2CN(Cc3cscc3Br)CC[C@@H]21 ZINC000347912155 141215544 /nfs/dbraw/zinc/21/55/44/141215544.db2.gz MDQZQYFLUJJLJF-FZMZJTMJSA-N 2 1 329.307 3.427 20 0 EGADMP C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347935595 141220250 /nfs/dbraw/zinc/22/02/50/141220250.db2.gz PXQVSKZWGQLODS-FUHWJXTLSA-N 2 1 344.499 3.243 20 0 EGADMP Cc1nc2ccccn2c1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934420 141220440 /nfs/dbraw/zinc/22/04/40/141220440.db2.gz OEPKXXZKDSFHND-DOTOQJQBSA-N 2 1 326.488 3.385 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000353459204 141301622 /nfs/dbraw/zinc/30/16/22/141301622.db2.gz LHTXQAOCXRPDAL-LEAZDLGRSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000353465397 141302935 /nfs/dbraw/zinc/30/29/35/141302935.db2.gz UDBZPLVVTFCLAS-FGTMMUONSA-N 2 1 341.503 3.286 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@@H]4C4CC4)[C@@H]3C2)cc1 ZINC000356825753 141349601 /nfs/dbraw/zinc/34/96/01/141349601.db2.gz AQFIAZWMMYSGGM-QGLKVJOYSA-N 2 1 326.484 3.054 20 0 EGADMP C[C@H]1C[C@@H](NCc2ccccc2OCc2ccccn2)CC[N@H+]1C ZINC000344688506 144209708 /nfs/dbraw/zinc/20/97/08/144209708.db2.gz UIHFDPWKYHGTLL-WMZOPIPTSA-N 2 1 325.456 3.233 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccccn2)CCN1C ZINC000344688506 144209709 /nfs/dbraw/zinc/20/97/09/144209709.db2.gz UIHFDPWKYHGTLL-WMZOPIPTSA-N 2 1 325.456 3.233 20 0 EGADMP CC1(C)C[C@H](N[C@@H]2CC[NH+](CC3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000677805513 549335087 /nfs/dbraw/zinc/33/50/87/549335087.db2.gz NMDLUVMBYGPPDS-UXHICEINSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@H](N[C@@H]2CC[NH+](CC3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000677805513 549335093 /nfs/dbraw/zinc/33/50/93/549335093.db2.gz NMDLUVMBYGPPDS-UXHICEINSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@H](N[C@@H]2CC[N@H+](CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000677805513 549335099 /nfs/dbraw/zinc/33/50/99/549335099.db2.gz NMDLUVMBYGPPDS-UXHICEINSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@H](N[C@@H]2CC[N@@H+](CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000677805513 549335105 /nfs/dbraw/zinc/33/51/05/549335105.db2.gz NMDLUVMBYGPPDS-UXHICEINSA-N 2 1 327.516 3.113 20 0 EGADMP CN(C[C@H](O)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)C1CC1 ZINC000351379506 144262590 /nfs/dbraw/zinc/26/25/90/144262590.db2.gz COFPQCXIRQTVBL-UNMCSNQZSA-N 2 1 336.479 3.089 20 0 EGADMP CN(C[C@H](O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)C1CC1 ZINC000351379506 144262591 /nfs/dbraw/zinc/26/25/91/144262591.db2.gz COFPQCXIRQTVBL-UNMCSNQZSA-N 2 1 336.479 3.089 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351498457 144270256 /nfs/dbraw/zinc/27/02/56/144270256.db2.gz VTUAFVZKPSIRDG-MCYKXBRJSA-N 2 1 349.478 3.350 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351498457 144270257 /nfs/dbraw/zinc/27/02/57/144270257.db2.gz VTUAFVZKPSIRDG-MCYKXBRJSA-N 2 1 349.478 3.350 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000351864919 144317738 /nfs/dbraw/zinc/31/77/38/144317738.db2.gz ZSGFMTQEKCNYME-XYJFISCASA-N 2 1 337.467 3.350 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000351864919 144317740 /nfs/dbraw/zinc/31/77/40/144317740.db2.gz ZSGFMTQEKCNYME-XYJFISCASA-N 2 1 337.467 3.350 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364315497 144399336 /nfs/dbraw/zinc/39/93/36/144399336.db2.gz PNOFUVODASRKKM-PMACEKPBSA-N 2 1 337.467 3.474 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364315497 144399338 /nfs/dbraw/zinc/39/93/38/144399338.db2.gz PNOFUVODASRKKM-PMACEKPBSA-N 2 1 337.467 3.474 20 0 EGADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)NC1CCC(C)CC1 ZINC000116395885 152057672 /nfs/dbraw/zinc/05/76/72/152057672.db2.gz MNONECKEQZIAKO-XGHPGWEVSA-N 2 1 325.541 3.026 20 0 EGADMP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC[C@H]1CCC[NH+]1C ZINC000120324869 152266891 /nfs/dbraw/zinc/26/68/91/152266891.db2.gz QQCOGBIABHJLLE-LJQANCHMSA-N 2 1 326.488 3.425 20 0 EGADMP C[NH+](CCCc1cc(-c2ccccc2)n[nH]1)CC[C@H]1CCC[N@@H+]1C ZINC000120324869 152266896 /nfs/dbraw/zinc/26/68/96/152266896.db2.gz QQCOGBIABHJLLE-LJQANCHMSA-N 2 1 326.488 3.425 20 0 EGADMP C[NH+](CCCc1cc(-c2ccccc2)n[nH]1)CC[C@H]1CCC[N@H+]1C ZINC000120324869 152266900 /nfs/dbraw/zinc/26/69/00/152266900.db2.gz QQCOGBIABHJLLE-LJQANCHMSA-N 2 1 326.488 3.425 20 0 EGADMP CCCC1CCC([N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000191808258 153223141 /nfs/dbraw/zinc/22/31/41/153223141.db2.gz LEOOLYQERFNLHX-UHFFFAOYSA-N 2 1 345.535 3.019 20 0 EGADMP CCCC1CCC([N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000191808258 153223145 /nfs/dbraw/zinc/22/31/45/153223145.db2.gz LEOOLYQERFNLHX-UHFFFAOYSA-N 2 1 345.535 3.019 20 0 EGADMP O=C(Nc1ccccc1)NC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000193478563 153293757 /nfs/dbraw/zinc/29/37/57/153293757.db2.gz NJVQPBMELWQZCV-UHFFFAOYSA-N 2 1 344.503 3.149 20 0 EGADMP COc1cccc([C@H](CNC(=[NH2+])N2CCC(C)CC2)[NH+]2CCCC2)c1 ZINC000303264771 154041198 /nfs/dbraw/zinc/04/11/98/154041198.db2.gz SRZVEVGSWKJWLL-IBGZPJMESA-N 2 1 344.503 3.088 20 0 EGADMP C[C@H]([NH2+]Cc1cnn2ccccc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311045033 154144376 /nfs/dbraw/zinc/14/43/76/154144376.db2.gz FREQQVUJYCCYEJ-PKOBYXMFSA-N 2 1 334.467 3.335 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccccc2CC[NH2+]C)CC1 ZINC000336886706 154231644 /nfs/dbraw/zinc/23/16/44/154231644.db2.gz HAIRMRYABRLPQO-UHFFFAOYSA-N 2 1 345.531 3.033 20 0 EGADMP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000337417134 154343304 /nfs/dbraw/zinc/34/33/04/154343304.db2.gz ZXANXKQNPASNBX-GDBMZVCRSA-N 2 1 345.487 3.374 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000346959045 156216985 /nfs/dbraw/zinc/21/69/85/156216985.db2.gz CUHYBKAJNIQKJM-MSOLQXFVSA-N 2 1 345.531 3.276 20 0 EGADMP COc1ccc(CC[N@@H+](CC(C)C)C[C@H]2CCC[NH2+]C2)cc1OC ZINC000346974177 156223845 /nfs/dbraw/zinc/22/38/45/156223845.db2.gz IOQHOLONVMKFOL-SFHVURJKSA-N 2 1 334.504 3.204 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000349147934 156366310 /nfs/dbraw/zinc/36/63/10/156366310.db2.gz ZYOHPBKCFCWCQO-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000349147934 156366316 /nfs/dbraw/zinc/36/63/16/156366316.db2.gz ZYOHPBKCFCWCQO-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000349147934 156366321 /nfs/dbraw/zinc/36/63/21/156366321.db2.gz ZYOHPBKCFCWCQO-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)cc(=O)oc2c1C ZINC000365406263 157115149 /nfs/dbraw/zinc/11/51/49/157115149.db2.gz NNAHBAOLWDYPNF-KRWDZBQOSA-N 2 1 328.456 3.326 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)cc(=O)oc2c1C ZINC000365406263 157115151 /nfs/dbraw/zinc/11/51/51/157115151.db2.gz NNAHBAOLWDYPNF-KRWDZBQOSA-N 2 1 328.456 3.326 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CCC[N@@H+](C(C)C)C3)c(C)n2n1 ZINC000093405351 162008607 /nfs/dbraw/zinc/00/86/07/162008607.db2.gz BNKUTTWQZGZOEC-RDJZCZTQSA-N 2 1 329.492 3.117 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CCC[N@H+](C(C)C)C3)c(C)n2n1 ZINC000093405351 162008613 /nfs/dbraw/zinc/00/86/13/162008613.db2.gz BNKUTTWQZGZOEC-RDJZCZTQSA-N 2 1 329.492 3.117 20 0 EGADMP C[C@H](CNC(=O)c1ccc(-n2ccnc2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000110355180 162124814 /nfs/dbraw/zinc/12/48/14/162124814.db2.gz XDKALPDVTJLBTL-QGZVFWFLSA-N 2 1 348.450 3.123 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248411408 163001842 /nfs/dbraw/zinc/00/18/42/163001842.db2.gz ZBOSYAZLIOXJAW-YPAWHYETSA-N 3 1 341.543 3.219 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@@H]1CC[NH+]2CCC[C@H]2C1)C1CC1 ZINC000248567925 163015376 /nfs/dbraw/zinc/01/53/76/163015376.db2.gz PPVCHKPGAGCIEZ-QHAWAJNXSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+](Cc1ccccc1)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000248567925 163015378 /nfs/dbraw/zinc/01/53/78/163015378.db2.gz PPVCHKPGAGCIEZ-QHAWAJNXSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+](Cc1ccccc1)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000248567925 163015381 /nfs/dbraw/zinc/01/53/81/163015381.db2.gz PPVCHKPGAGCIEZ-QHAWAJNXSA-N 2 1 327.516 3.113 20 0 EGADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000248567925 163015382 /nfs/dbraw/zinc/01/53/82/163015382.db2.gz PPVCHKPGAGCIEZ-QHAWAJNXSA-N 2 1 327.516 3.113 20 0 EGADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000248567925 163015383 /nfs/dbraw/zinc/01/53/83/163015383.db2.gz PPVCHKPGAGCIEZ-QHAWAJNXSA-N 2 1 327.516 3.113 20 0 EGADMP CCC[C@@H](C)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000337244029 163176900 /nfs/dbraw/zinc/17/69/00/163176900.db2.gz HQDWMTVEALAYGK-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP C[C@@H]1C[N@H+]([C@H]2CCc3ccc(Cl)cc32)CCN1C1CC[NH+](C)CC1 ZINC000343753382 164027326 /nfs/dbraw/zinc/02/73/26/164027326.db2.gz SWTGRELVOFNHOY-QRWLVFNGSA-N 2 1 347.934 3.428 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2C[NH+](C3CC3)C[C@@H]2C)cc1 ZINC000343808518 164039922 /nfs/dbraw/zinc/03/99/22/164039922.db2.gz BMTRLTUILOQVLA-JXFKEZNVSA-N 2 1 343.515 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000343808518 164039925 /nfs/dbraw/zinc/03/99/25/164039925.db2.gz BMTRLTUILOQVLA-JXFKEZNVSA-N 2 1 343.515 3.131 20 0 EGADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000344003108 164081104 /nfs/dbraw/zinc/08/11/04/164081104.db2.gz XTRLTSRYBSMERK-KRWDZBQOSA-N 2 1 343.471 3.418 20 0 EGADMP CC[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)cn1 ZINC000344103491 164103264 /nfs/dbraw/zinc/10/32/64/164103264.db2.gz UIIGXCNDBOJBHL-KRWDZBQOSA-N 2 1 346.450 3.187 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000344311014 164152725 /nfs/dbraw/zinc/15/27/25/164152725.db2.gz WIRFBPSKEUTNHN-UHFFFAOYSA-N 2 1 331.504 3.019 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCOC4(CCCC4)C3)sc2C1 ZINC000344353986 164162569 /nfs/dbraw/zinc/16/25/69/164162569.db2.gz JRZVHTULLGQIGI-HNNXBMFYSA-N 2 1 349.544 3.491 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCOC4(CCCC4)C3)sc2C1 ZINC000344353986 164162571 /nfs/dbraw/zinc/16/25/71/164162571.db2.gz JRZVHTULLGQIGI-HNNXBMFYSA-N 2 1 349.544 3.491 20 0 EGADMP O[C@]1(CNCc2cccc(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344533151 164187798 /nfs/dbraw/zinc/18/77/98/164187798.db2.gz OCGNZJSVJYRJRA-IBGZPJMESA-N 2 1 330.859 3.067 20 0 EGADMP O[C@]1(C[NH2+]Cc2cccc(Cl)c2)CCN(Cc2ccccc2)C1 ZINC000344533151 164187800 /nfs/dbraw/zinc/18/78/00/164187800.db2.gz OCGNZJSVJYRJRA-IBGZPJMESA-N 2 1 330.859 3.067 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000345806433 164268805 /nfs/dbraw/zinc/26/88/05/164268805.db2.gz YITXHSUJXZFRDF-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C)[NH+](CC)C[C@H]2C)cc1)C1CC1 ZINC000345965834 164304990 /nfs/dbraw/zinc/30/49/90/164304990.db2.gz RLEJTEVKROLMNW-DLBZAZTESA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)cc1)C1CC1 ZINC000345965834 164304992 /nfs/dbraw/zinc/30/49/92/164304992.db2.gz RLEJTEVKROLMNW-DLBZAZTESA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)cc1)C1CC1 ZINC000345965834 164304994 /nfs/dbraw/zinc/30/49/94/164304994.db2.gz RLEJTEVKROLMNW-DLBZAZTESA-N 2 1 343.515 3.226 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000346303648 164366375 /nfs/dbraw/zinc/36/63/75/164366375.db2.gz BJADINJZNHVVKP-HXUWFJFHSA-N 2 1 327.472 3.224 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000346303648 164366377 /nfs/dbraw/zinc/36/63/77/164366377.db2.gz BJADINJZNHVVKP-HXUWFJFHSA-N 2 1 327.472 3.224 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC000346347984 164372459 /nfs/dbraw/zinc/37/24/59/164372459.db2.gz BUOXLPOCQBRACW-HNNXBMFYSA-N 2 1 340.471 3.029 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCSc2ccccc2F)C1 ZINC000350283899 165025761 /nfs/dbraw/zinc/02/57/61/165025761.db2.gz ARHAMCNXHMBXAC-MRXNPFEDSA-N 2 1 340.508 3.351 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000354989410 166080866 /nfs/dbraw/zinc/08/08/66/166080866.db2.gz YVHQOECPKRLLTK-FHWLQOOXSA-N 2 1 326.525 3.062 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000350953828 165085890 /nfs/dbraw/zinc/08/58/90/165085890.db2.gz XAMJBLPNTNFCMO-CVEARBPZSA-N 2 1 331.460 3.322 20 0 EGADMP COC(=O)C1(c2ccccc2)CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351646110 165112364 /nfs/dbraw/zinc/11/23/64/165112364.db2.gz OVZRPBIMCALEMG-LJQANCHMSA-N 2 1 344.499 3.068 20 0 EGADMP COC(=O)C1(c2ccccc2)CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351646110 165112371 /nfs/dbraw/zinc/11/23/71/165112371.db2.gz OVZRPBIMCALEMG-LJQANCHMSA-N 2 1 344.499 3.068 20 0 EGADMP CC[NH+](CC)Cc1ccc(CNCc2ncc(C[NH+](C)C)s2)cc1 ZINC000352250182 165308598 /nfs/dbraw/zinc/30/85/98/165308598.db2.gz DKDVOURCEQSBGS-UHFFFAOYSA-N 2 1 346.544 3.336 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@H+](C(C)C)CC1)c1ccccc1 ZINC000355660611 166277070 /nfs/dbraw/zinc/27/70/70/166277070.db2.gz WBWGFNYRWRONDW-LJQANCHMSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)c1ccc(Cl)cc1 ZINC000358937415 167012083 /nfs/dbraw/zinc/01/20/83/167012083.db2.gz VXZQFILEFVMDTC-IAGOWNOFSA-N 2 1 339.911 3.179 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000365819317 168047240 /nfs/dbraw/zinc/04/72/40/168047240.db2.gz IXRIKQOJOCVEEF-UHFFFAOYSA-N 2 1 345.462 3.180 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@]1(F)CC[NH2+]C1)C1CCCCC1 ZINC000366322537 168106104 /nfs/dbraw/zinc/10/61/04/168106104.db2.gz JCNHTDNYKJBICP-IBGZPJMESA-N 2 1 333.451 3.091 20 0 EGADMP CC(C)n1nccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000366334250 168107195 /nfs/dbraw/zinc/10/71/95/168107195.db2.gz GNLIBXNEBXCWCP-LJQANCHMSA-N 2 1 326.488 3.466 20 0 EGADMP CC(C)n1nccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366334250 168107198 /nfs/dbraw/zinc/10/71/98/168107198.db2.gz GNLIBXNEBXCWCP-LJQANCHMSA-N 2 1 326.488 3.466 20 0 EGADMP COC(=O)c1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000367133509 168183182 /nfs/dbraw/zinc/18/31/82/168183182.db2.gz NJSYXGRABMDFSS-CYBMUJFWSA-N 2 1 347.846 3.240 20 0 EGADMP COc1c(C)cc([C@H](C)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1Cl ZINC000367589669 168245310 /nfs/dbraw/zinc/24/53/10/168245310.db2.gz QFQIFZRKRNSBPF-CWRNSKLLSA-N 2 1 338.879 3.171 20 0 EGADMP COc1c(C)cc([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)cc1Cl ZINC000367589669 168245311 /nfs/dbraw/zinc/24/53/11/168245311.db2.gz QFQIFZRKRNSBPF-CWRNSKLLSA-N 2 1 338.879 3.171 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2)CC1 ZINC000367603465 168247986 /nfs/dbraw/zinc/24/79/86/168247986.db2.gz ZTGDIYQNGWCFSL-YLJYHZDGSA-N 2 1 343.515 3.059 20 0 EGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)CCn2cccn2)CC1 ZINC000158657888 225062083 /nfs/dbraw/zinc/06/20/83/225062083.db2.gz OXPJFNRNYZRPGR-GOSISDBHSA-N 2 1 326.488 3.224 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000159047273 225136452 /nfs/dbraw/zinc/13/64/52/225136452.db2.gz LDNRKDYWSCYUGG-GLJUWKHASA-N 2 1 330.476 3.104 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000159047273 225136455 /nfs/dbraw/zinc/13/64/55/225136455.db2.gz LDNRKDYWSCYUGG-GLJUWKHASA-N 2 1 330.476 3.104 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000121453825 221847559 /nfs/dbraw/zinc/84/75/59/221847559.db2.gz VQQVYPNDBCBTAN-NVXWUHKLSA-N 2 1 342.487 3.451 20 0 EGADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000122969569 222193284 /nfs/dbraw/zinc/19/32/84/222193284.db2.gz LCNNGBFYYXTAJO-OAHLLOKOSA-N 2 1 338.517 3.005 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)CC3 ZINC000123086971 222212973 /nfs/dbraw/zinc/21/29/73/222212973.db2.gz PLWQAASBOGRAQS-LSDHHAIUSA-N 2 1 339.483 3.108 20 0 EGADMP C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123503502 222288648 /nfs/dbraw/zinc/28/86/48/222288648.db2.gz WXDGVCOBFUKPNF-KRWDZBQOSA-N 2 1 341.503 3.382 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000174737899 265069616 /nfs/dbraw/zinc/06/96/16/265069616.db2.gz YHLWPPGXJSYEFP-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCOc1ccccc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000269658334 266335209 /nfs/dbraw/zinc/33/52/09/266335209.db2.gz NUDSQIVABFKTQX-UHFFFAOYSA-N 2 1 345.531 3.076 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000270888482 266570978 /nfs/dbraw/zinc/57/09/78/266570978.db2.gz XFKQDYJUJRAATB-JKSUJKDBSA-N 2 1 340.254 3.088 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000270888482 266570980 /nfs/dbraw/zinc/57/09/80/266570980.db2.gz XFKQDYJUJRAATB-JKSUJKDBSA-N 2 1 340.254 3.088 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000273347017 267024906 /nfs/dbraw/zinc/02/49/06/267024906.db2.gz XKHFHYGYUKGBQO-CYBMUJFWSA-N 2 1 343.406 3.430 20 0 EGADMP CC[NH+]1CCN([C@H]2CCN(c3c(C)c(C)[nH+]c4ccccc43)C2)CC1 ZINC000273372202 267028834 /nfs/dbraw/zinc/02/88/34/267028834.db2.gz RTOYRIFUZCYWIR-SFHVURJKSA-N 2 1 338.499 3.068 20 0 EGADMP C[C@H](NC1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274924638 267307243 /nfs/dbraw/zinc/30/72/43/267307243.db2.gz PPWITBKFPGHSBP-PKOBYXMFSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H]([NH2+]C1CCN(C2CC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274924638 267307245 /nfs/dbraw/zinc/30/72/45/267307245.db2.gz PPWITBKFPGHSBP-PKOBYXMFSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H]([NH2+]C1CCN(C2CC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274924638 267307248 /nfs/dbraw/zinc/30/72/48/267307248.db2.gz PPWITBKFPGHSBP-PKOBYXMFSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274953329 267310184 /nfs/dbraw/zinc/31/01/84/267310184.db2.gz VNHMGPUCMXQCGO-GUMYABAYSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274953329 267310187 /nfs/dbraw/zinc/31/01/87/267310187.db2.gz VNHMGPUCMXQCGO-GUMYABAYSA-N 2 1 336.479 3.145 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278412984 268006958 /nfs/dbraw/zinc/00/69/58/268006958.db2.gz FNHRRCBEIDRWPO-KURKYZTESA-N 2 1 334.504 3.278 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278412984 268006961 /nfs/dbraw/zinc/00/69/61/268006961.db2.gz FNHRRCBEIDRWPO-KURKYZTESA-N 2 1 334.504 3.278 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cnc2ccsc2c1 ZINC000278412932 268007112 /nfs/dbraw/zinc/00/71/12/268007112.db2.gz FMCSDSZCMWDCGV-CABCVRRESA-N 2 1 333.501 3.448 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cnc2ccsc2c1 ZINC000278412932 268007114 /nfs/dbraw/zinc/00/71/14/268007114.db2.gz FMCSDSZCMWDCGV-CABCVRRESA-N 2 1 333.501 3.448 20 0 EGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CCC2 ZINC000278562279 268040130 /nfs/dbraw/zinc/04/01/30/268040130.db2.gz PDIIBUDVZBFAOA-UZLBHIALSA-N 2 1 332.488 3.163 20 0 EGADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278734748 275270020 /nfs/dbraw/zinc/27/00/20/275270020.db2.gz WLCKQUSAWBCTNF-PKOBYXMFSA-N 2 1 332.488 3.299 20 0 EGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000278737385 275270373 /nfs/dbraw/zinc/27/03/73/275270373.db2.gz WNXBZYCFSHTVOZ-QFBILLFUSA-N 2 1 332.488 3.163 20 0 EGADMP O[C@@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000278824685 275278139 /nfs/dbraw/zinc/27/81/39/275278139.db2.gz HTQLHUPXGFJEOO-IBGZPJMESA-N 2 1 325.456 3.132 20 0 EGADMP COCCSCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000278924578 275288036 /nfs/dbraw/zinc/28/80/36/275288036.db2.gz VJIWLSRUMRZXLK-PKOBYXMFSA-N 2 1 336.545 3.256 20 0 EGADMP COc1cccc(C[C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C2CC2)c1 ZINC000279047411 275299129 /nfs/dbraw/zinc/29/91/29/275299129.db2.gz XUDZJUPBPRFSTE-VQIMIIECSA-N 2 1 325.456 3.065 20 0 EGADMP CC[NH+](CC)CC(=O)Nc1cccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000287100368 276083595 /nfs/dbraw/zinc/08/35/95/276083595.db2.gz QALQSXUIMSPWRL-RBUKOAKNSA-N 2 1 344.503 3.006 20 0 EGADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000287691656 276148007 /nfs/dbraw/zinc/14/80/07/276148007.db2.gz NDWIGXBNWIDSNH-IRXDYDNUSA-N 2 1 342.405 3.134 20 0 EGADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000287691656 276148009 /nfs/dbraw/zinc/14/80/09/276148009.db2.gz NDWIGXBNWIDSNH-IRXDYDNUSA-N 2 1 342.405 3.134 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc([C@H](C)O)s2)c1 ZINC000289355068 276326705 /nfs/dbraw/zinc/32/67/05/276326705.db2.gz XZADMPOTWSTFRW-AWEZNQCLSA-N 2 1 333.501 3.326 20 0 EGADMP COc1cncc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000289729041 276384888 /nfs/dbraw/zinc/38/48/88/276384888.db2.gz GOMCPIBWEDDNES-UHFFFAOYSA-N 2 1 340.471 3.224 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc(F)cc4c3OCOC4)C2)CC1 ZINC000366864851 277036641 /nfs/dbraw/zinc/03/66/41/277036641.db2.gz MBQQKMUFZABCNP-UHFFFAOYSA-N 2 1 334.435 3.000 20 0 EGADMP CC1(C)CN(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCCCC2)CCO1 ZINC000372205862 278327929 /nfs/dbraw/zinc/32/79/29/278327929.db2.gz XVIIVUKBDJTASW-RBUKOAKNSA-N 2 1 349.563 3.017 20 0 EGADMP CC1(C)C[N@@H+](C2(CN[C@H]3CC[NH+]4CCC[C@@H]4C3)CCCCC2)CCO1 ZINC000372205862 278327931 /nfs/dbraw/zinc/32/79/31/278327931.db2.gz XVIIVUKBDJTASW-RBUKOAKNSA-N 2 1 349.563 3.017 20 0 EGADMP CC1(C)C[N@H+](C2(CN[C@H]3CC[NH+]4CCC[C@@H]4C3)CCCCC2)CCO1 ZINC000372205862 278327933 /nfs/dbraw/zinc/32/79/33/278327933.db2.gz XVIIVUKBDJTASW-RBUKOAKNSA-N 2 1 349.563 3.017 20 0 EGADMP CC1(C)C[NH+](C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCCCC2)CCO1 ZINC000372205862 278327934 /nfs/dbraw/zinc/32/79/34/278327934.db2.gz XVIIVUKBDJTASW-RBUKOAKNSA-N 2 1 349.563 3.017 20 0 EGADMP CC1(C)C[NH+](C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCCCC2)CCO1 ZINC000372205862 278327937 /nfs/dbraw/zinc/32/79/37/278327937.db2.gz XVIIVUKBDJTASW-RBUKOAKNSA-N 2 1 349.563 3.017 20 0 EGADMP CC[NH+](CC)CC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000063757859 279090441 /nfs/dbraw/zinc/09/04/41/279090441.db2.gz WCNLMKNUHQDCSX-QGZVFWFLSA-N 2 1 331.504 3.019 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000152053010 288104250 /nfs/dbraw/zinc/10/42/50/288104250.db2.gz GVKXUCWJTGWFAQ-MDZRGWNJSA-N 2 1 334.479 3.192 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000344626135 279164136 /nfs/dbraw/zinc/16/41/36/279164136.db2.gz BPKUKUOODWYEAW-MJGOQNOKSA-N 2 1 343.471 3.082 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2C[NH+](C(C)C)C[C@H]2C)cc1)C1CC1 ZINC000362603017 279235817 /nfs/dbraw/zinc/23/58/17/279235817.db2.gz RUHKXNOYEFEVEU-UZLBHIALSA-N 2 1 343.515 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1)C1CC1 ZINC000362603017 279235819 /nfs/dbraw/zinc/23/58/19/279235819.db2.gz RUHKXNOYEFEVEU-UZLBHIALSA-N 2 1 343.515 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1)C1CC1 ZINC000362603017 279235821 /nfs/dbraw/zinc/23/58/21/279235821.db2.gz RUHKXNOYEFEVEU-UZLBHIALSA-N 2 1 343.515 3.129 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000073554485 307386729 /nfs/dbraw/zinc/38/67/29/307386729.db2.gz MWINWDGEODSHLV-KRWDZBQOSA-N 2 1 337.552 3.124 20 0 EGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000090525426 307460132 /nfs/dbraw/zinc/46/01/32/307460132.db2.gz PGUHGWCJLSEQCK-DBVUQKKJSA-N 2 1 346.515 3.422 20 0 EGADMP COc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc(OC)c1OC ZINC000414175912 309064917 /nfs/dbraw/zinc/06/49/17/309064917.db2.gz ISTMYPXJOHIOSC-HUUCEWRRSA-N 2 1 336.476 3.095 20 0 EGADMP COc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc(OC)c1OC ZINC000414175914 309065019 /nfs/dbraw/zinc/06/50/19/309065019.db2.gz ISTMYPXJOHIOSC-LSDHHAIUSA-N 2 1 336.476 3.095 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000248748860 308010535 /nfs/dbraw/zinc/01/05/35/308010535.db2.gz FWVUPAXBFFUHIG-FGTMMUONSA-N 2 1 348.535 3.098 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000248748860 308010536 /nfs/dbraw/zinc/01/05/36/308010536.db2.gz FWVUPAXBFFUHIG-FGTMMUONSA-N 2 1 348.535 3.098 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249117343 308019234 /nfs/dbraw/zinc/01/92/34/308019234.db2.gz OIBNLZUKTHQWRH-ACRUOGEOSA-N 2 1 330.516 3.224 20 0 EGADMP C[C@H](c1cccc(F)c1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250287127 308029778 /nfs/dbraw/zinc/02/97/78/308029778.db2.gz LZJXIPRFKCIACU-FGTMMUONSA-N 2 1 333.495 3.377 20 0 EGADMP C[C@H](c1cccc(F)c1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250287127 308029779 /nfs/dbraw/zinc/02/97/79/308029779.db2.gz LZJXIPRFKCIACU-FGTMMUONSA-N 2 1 333.495 3.377 20 0 EGADMP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1cc2ccccc2o1 ZINC000292940433 308082007 /nfs/dbraw/zinc/08/20/07/308082007.db2.gz ZWLNSHJIPWQFMU-FUHWJXTLSA-N 2 1 328.456 3.274 20 0 EGADMP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1cc2ccccc2o1 ZINC000292940433 308082009 /nfs/dbraw/zinc/08/20/09/308082009.db2.gz ZWLNSHJIPWQFMU-FUHWJXTLSA-N 2 1 328.456 3.274 20 0 EGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Oc4cnccn4)cc3)C2)C1 ZINC000293655676 308150010 /nfs/dbraw/zinc/15/00/10/308150010.db2.gz NHSYUHWFFCSRCP-HXUWFJFHSA-N 2 1 338.455 3.187 20 0 EGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Oc4cnccn4)cc3)C2)C1 ZINC000293655676 308150012 /nfs/dbraw/zinc/15/00/12/308150012.db2.gz NHSYUHWFFCSRCP-HXUWFJFHSA-N 2 1 338.455 3.187 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(Oc4cnccn4)cc3)C2)C1 ZINC000293655676 308150013 /nfs/dbraw/zinc/15/00/13/308150013.db2.gz NHSYUHWFFCSRCP-HXUWFJFHSA-N 2 1 338.455 3.187 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(Oc4cnccn4)cc3)C2)C1 ZINC000293655676 308150015 /nfs/dbraw/zinc/15/00/15/308150015.db2.gz NHSYUHWFFCSRCP-HXUWFJFHSA-N 2 1 338.455 3.187 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000294713839 308248959 /nfs/dbraw/zinc/24/89/59/308248959.db2.gz BMSDXZDBJBQVDH-VQTJNVASSA-N 2 1 328.500 3.242 20 0 EGADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1Cl ZINC000294860223 308265054 /nfs/dbraw/zinc/26/50/54/308265054.db2.gz DDHGFAJQZGNIIQ-CYBMUJFWSA-N 2 1 333.819 3.229 20 0 EGADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@@H+](Cc2ccccc2)C1 ZINC000295122717 308294375 /nfs/dbraw/zinc/29/43/75/308294375.db2.gz XOYHLPMYRWHWFH-RGSBRZDASA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH+](Cc2ccccc2)C1 ZINC000295122717 308294376 /nfs/dbraw/zinc/29/43/76/308294376.db2.gz XOYHLPMYRWHWFH-RGSBRZDASA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH+](Cc2ccccc2)C1 ZINC000295122717 308294377 /nfs/dbraw/zinc/29/43/77/308294377.db2.gz XOYHLPMYRWHWFH-RGSBRZDASA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN(Cc2ccccc2)C1 ZINC000295122717 308294378 /nfs/dbraw/zinc/29/43/78/308294378.db2.gz XOYHLPMYRWHWFH-RGSBRZDASA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN(Cc2ccccc2)C1 ZINC000295122717 308294379 /nfs/dbraw/zinc/29/43/79/308294379.db2.gz XOYHLPMYRWHWFH-RGSBRZDASA-N 2 1 327.516 3.112 20 0 EGADMP Cc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c1F ZINC000295339623 308316274 /nfs/dbraw/zinc/31/62/74/308316274.db2.gz CVMNAURSUCHOKK-UHFFFAOYSA-N 2 1 342.458 3.381 20 0 EGADMP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000414623671 309092246 /nfs/dbraw/zinc/09/22/46/309092246.db2.gz UJKYMRMUICKLLU-DJIMGWMZSA-N 2 1 328.460 3.351 20 0 EGADMP CC(C)C[C@H]([NH3+])c1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000414623672 309092296 /nfs/dbraw/zinc/09/22/96/309092296.db2.gz UJKYMRMUICKLLU-OIISXLGYSA-N 2 1 328.460 3.351 20 0 EGADMP [NH3+]C1(c2noc([C@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)n2)CCC1 ZINC000414631781 309092667 /nfs/dbraw/zinc/09/26/67/309092667.db2.gz XRHPWYVZIPEFFK-CQSZACIVSA-N 2 1 348.397 3.032 20 0 EGADMP CC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)c1cc2ccccc2o1 ZINC000414695401 309095864 /nfs/dbraw/zinc/09/58/64/309095864.db2.gz UPYAZCWUTYIOBN-HZPDHXFCSA-N 2 1 343.471 3.013 20 0 EGADMP Cc1cccc([C@H]2CCCCC[N@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)c1 ZINC000414699176 309096140 /nfs/dbraw/zinc/09/61/40/309096140.db2.gz JMRWRXUMMSZNJU-AZUAARDMSA-N 2 1 343.515 3.109 20 0 EGADMP CC[N@H+](Cc1cn(-c2cccc(F)c2)nc1C)[C@H]1CCC[NH2+]CC1 ZINC000414718570 309097290 /nfs/dbraw/zinc/09/72/90/309097290.db2.gz SALFUUBLBWHIAU-SFHVURJKSA-N 2 1 330.451 3.284 20 0 EGADMP CC[N@@H+](Cc1cn(-c2cccc(F)c2)nc1C)[C@H]1CCC[NH2+]CC1 ZINC000414718570 309097291 /nfs/dbraw/zinc/09/72/91/309097291.db2.gz SALFUUBLBWHIAU-SFHVURJKSA-N 2 1 330.451 3.284 20 0 EGADMP CC(C)c1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414716323 309096982 /nfs/dbraw/zinc/09/69/82/309096982.db2.gz ZUVHXVSNZSYLMU-FXAWDEMLSA-N 2 1 343.515 3.144 20 0 EGADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cc(Br)ccc2F)CC[NH2+]1 ZINC000414745543 309098646 /nfs/dbraw/zinc/09/86/46/309098646.db2.gz KZQRNLZSNAHELF-NEPJUHHUSA-N 2 1 329.257 3.408 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(c3cccc4cnccc43)C[C@@H]2C)CC[NH2+]1 ZINC000414751038 309098796 /nfs/dbraw/zinc/09/87/96/309098796.db2.gz ZJCKGQSZVAKPMQ-SQNIBIBYSA-N 2 1 338.499 3.133 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2c(Cl)oc3ccccc32)CC12CCOCC2 ZINC000414773084 309100039 /nfs/dbraw/zinc/10/00/39/309100039.db2.gz CWMQVRKSHDYSLJ-CYBMUJFWSA-N 2 1 334.847 3.274 20 0 EGADMP COc1cc(C[N@H+](C)C2CC([NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000414765291 309099441 /nfs/dbraw/zinc/09/94/41/309099441.db2.gz BNDZWHBQCXGPRH-UHFFFAOYSA-N 2 1 344.430 3.335 20 0 EGADMP COc1cc(C[N@@H+](C)C2CC([NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000414765291 309099442 /nfs/dbraw/zinc/09/94/42/309099442.db2.gz BNDZWHBQCXGPRH-UHFFFAOYSA-N 2 1 344.430 3.335 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(Cl)c2Cl)CC12CCOCC2 ZINC000414774362 309100124 /nfs/dbraw/zinc/10/01/24/309100124.db2.gz AZYQOAURPMAPRG-CYBMUJFWSA-N 2 1 329.271 3.181 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)CC12CCOCC2 ZINC000414774362 309100125 /nfs/dbraw/zinc/10/01/25/309100125.db2.gz AZYQOAURPMAPRG-CYBMUJFWSA-N 2 1 329.271 3.181 20 0 EGADMP Fc1ccc(Br)cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414781103 309100631 /nfs/dbraw/zinc/10/06/31/309100631.db2.gz MNIMZPSSZAKYFT-OLZOCXBDSA-N 2 1 341.268 3.410 20 0 EGADMP O[C@@H]1CCC[C@@]1(C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccc(F)cc1 ZINC000298023368 308579194 /nfs/dbraw/zinc/57/91/94/308579194.db2.gz DWPDHLOQVIGHJD-RTWAWAEBSA-N 2 1 346.490 3.116 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)ccc1OCc1ccccc1 ZINC000414786915 309101091 /nfs/dbraw/zinc/10/10/91/309101091.db2.gz BVPNPDYXUZCBTQ-GOSISDBHSA-N 2 1 328.456 3.347 20 0 EGADMP CCCOc1c(Br)cc(C[NH2+]CC(C)(C)[NH3+])cc1OC ZINC000414808008 309102765 /nfs/dbraw/zinc/10/27/65/309102765.db2.gz RWRZUNWKMAUCPF-UHFFFAOYSA-N 2 1 345.281 3.073 20 0 EGADMP CCCC[C@H](CN)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414809021 309102943 /nfs/dbraw/zinc/10/29/43/309102943.db2.gz FXJHSKURBLFJKV-CQSZACIVSA-N 2 1 340.393 3.498 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414809021 309102944 /nfs/dbraw/zinc/10/29/44/309102944.db2.gz FXJHSKURBLFJKV-CQSZACIVSA-N 2 1 340.393 3.498 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000414812696 309103226 /nfs/dbraw/zinc/10/32/26/309103226.db2.gz LIPAZNMQXAUHPN-ZFWWWQNUSA-N 2 1 325.884 3.473 20 0 EGADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414840505 309104917 /nfs/dbraw/zinc/10/49/17/309104917.db2.gz MJXUOJAXHRWORW-DNVCBOLYSA-N 2 1 331.504 3.463 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415032843 309115400 /nfs/dbraw/zinc/11/54/00/309115400.db2.gz AZQISBPUSNTBCJ-CABCVRRESA-N 2 1 340.414 3.261 20 0 EGADMP Fc1cc(F)cc(Oc2ccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)cc2)c1 ZINC000415042021 309116083 /nfs/dbraw/zinc/11/60/83/309116083.db2.gz QBCJFWICXYNVLU-IBGZPJMESA-N 2 1 348.393 3.225 20 0 EGADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1OCC(F)(F)F ZINC000415065609 309117830 /nfs/dbraw/zinc/11/78/30/309117830.db2.gz NFGZZRHGKMJMFC-AWEZNQCLSA-N 2 1 346.393 3.243 20 0 EGADMP Clc1ccc(CN2CCC([NH2+][C@@H]3CCC[NH2+]C3)CC2)cc1Cl ZINC000415075600 309118572 /nfs/dbraw/zinc/11/85/72/309118572.db2.gz BTLLQYUSANHZSV-OAHLLOKOSA-N 2 1 342.314 3.299 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000415075124 309118619 /nfs/dbraw/zinc/11/86/19/309118619.db2.gz BBWGAPOYQRKWQR-IEBWSBKVSA-N 3 1 333.520 3.027 20 0 EGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000415082906 309118940 /nfs/dbraw/zinc/11/89/40/309118940.db2.gz MIWLWIXDQMRRER-DZGCQCFKSA-N 2 1 345.409 3.423 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000415083580 309118996 /nfs/dbraw/zinc/11/89/96/309118996.db2.gz PXWZPMHTIXBHFZ-UKRRQHHQSA-N 2 1 345.409 3.423 20 0 EGADMP c1ccc([C@H]2C[C@H]([NH2+]CCc3ccc4c(c3)OCCO4)CC[NH2+]2)cc1 ZINC000415088981 309119527 /nfs/dbraw/zinc/11/95/27/309119527.db2.gz VZDKXGNWQYBVDD-RTBURBONSA-N 2 1 338.451 3.083 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)CCCO1 ZINC000415100976 309120428 /nfs/dbraw/zinc/12/04/28/309120428.db2.gz BERWLSDJKKLMHN-LJQANCHMSA-N 2 1 330.403 3.168 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)CCCO1 ZINC000415100976 309120429 /nfs/dbraw/zinc/12/04/29/309120429.db2.gz BERWLSDJKKLMHN-LJQANCHMSA-N 2 1 330.403 3.168 20 0 EGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000415109033 309120813 /nfs/dbraw/zinc/12/08/13/309120813.db2.gz NFHHRSNQVLDGIX-DOTOQJQBSA-N 2 1 326.843 3.197 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CCCO1 ZINC000415108311 309120938 /nfs/dbraw/zinc/12/09/38/309120938.db2.gz MEOFYAPRCHXRDZ-IBGZPJMESA-N 2 1 348.393 3.307 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CCCO1 ZINC000415108311 309120939 /nfs/dbraw/zinc/12/09/39/309120939.db2.gz MEOFYAPRCHXRDZ-IBGZPJMESA-N 2 1 348.393 3.307 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415133650 309122905 /nfs/dbraw/zinc/12/29/05/309122905.db2.gz VJBVPNVZQGBCKY-UKRRQHHQSA-N 2 1 332.879 3.251 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000415927926 309149315 /nfs/dbraw/zinc/14/93/15/309149315.db2.gz DWASGMIBPCEHRF-HOTGVXAUSA-N 2 1 332.492 3.181 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)cc1 ZINC000416019242 309154868 /nfs/dbraw/zinc/15/48/68/309154868.db2.gz XHBXFCJXSRIMDZ-GOSISDBHSA-N 2 1 332.492 3.038 20 0 EGADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417301708 309200978 /nfs/dbraw/zinc/20/09/78/309200978.db2.gz BWIHOCXDVPRSIJ-IXDOHACOSA-N 2 1 334.529 3.475 20 0 EGADMP CCn1cncc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000417869490 309225996 /nfs/dbraw/zinc/22/59/96/309225996.db2.gz LJPSVXGBYGCIKQ-KRWDZBQOSA-N 2 1 326.488 3.425 20 0 EGADMP [NH3+]C[C@@H]1CC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000420294259 309280048 /nfs/dbraw/zinc/28/00/48/309280048.db2.gz OHOSCKBBYVUMRM-LBPRGKRZSA-N 2 1 346.887 3.497 20 0 EGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000420294259 309280049 /nfs/dbraw/zinc/28/00/49/309280049.db2.gz OHOSCKBBYVUMRM-LBPRGKRZSA-N 2 1 346.887 3.497 20 0 EGADMP CC[C@](C)([NH2+]C[C@@H](C[NH3+])c1ccc(OC)cc1)c1nc(C)cs1 ZINC000420316239 309281437 /nfs/dbraw/zinc/28/14/37/309281437.db2.gz LXVIDBQRHPGZBY-QAPCUYQASA-N 2 1 333.501 3.417 20 0 EGADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC1CCN(c2ccccn2)CC1 ZINC000420321664 309282148 /nfs/dbraw/zinc/28/21/48/309282148.db2.gz RKSHIXNIZQRRDZ-SFHVURJKSA-N 2 1 330.520 3.010 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336095 309283106 /nfs/dbraw/zinc/28/31/06/309283106.db2.gz ILQAJRXVEWPGPZ-HRCADAONSA-N 2 1 349.906 3.297 20 0 EGADMP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420344062 309283483 /nfs/dbraw/zinc/28/34/83/309283483.db2.gz RVRDGXOYAPOXQI-XHSDSOJGSA-N 2 1 347.528 3.057 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000420361950 309283995 /nfs/dbraw/zinc/28/39/95/309283995.db2.gz NUJJRBCBEIGDLM-ICSRJNTNSA-N 2 1 339.483 3.314 20 0 EGADMP FC(F)(F)c1ccc([C@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420372137 309284908 /nfs/dbraw/zinc/28/49/08/309284908.db2.gz LDKBVKGXGXWUNR-XJKSGUPXSA-N 2 1 328.378 3.078 20 0 EGADMP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)n2)cc1F ZINC000420395490 309286356 /nfs/dbraw/zinc/28/63/56/309286356.db2.gz DMCBOQYKFKIMCA-BBRMVZONSA-N 2 1 346.450 3.033 20 0 EGADMP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)n2)cc1F ZINC000420395492 309286409 /nfs/dbraw/zinc/28/64/09/309286409.db2.gz DMCBOQYKFKIMCA-CJNGLKHVSA-N 2 1 346.450 3.033 20 0 EGADMP C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420966715 309304829 /nfs/dbraw/zinc/30/48/29/309304829.db2.gz RJCPFHJBWVLZEO-NQIIRXRSSA-N 2 1 346.515 3.034 20 0 EGADMP C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420966715 309304830 /nfs/dbraw/zinc/30/48/30/309304830.db2.gz RJCPFHJBWVLZEO-NQIIRXRSSA-N 2 1 346.515 3.034 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421003602 309306749 /nfs/dbraw/zinc/30/67/49/309306749.db2.gz FISZQWWYLFUEPP-RDJZCZTQSA-N 2 1 335.492 3.271 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421003602 309306750 /nfs/dbraw/zinc/30/67/50/309306750.db2.gz FISZQWWYLFUEPP-RDJZCZTQSA-N 2 1 335.492 3.271 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C3CC3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000421318840 309318221 /nfs/dbraw/zinc/31/82/21/309318221.db2.gz IKUHTKVGCHPQKX-UWJYYQICSA-N 2 1 327.516 3.022 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc4ccoc43)CC2)CC1 ZINC000421379392 309321626 /nfs/dbraw/zinc/32/16/26/309321626.db2.gz UODKETJBWNZOCH-UHFFFAOYSA-N 2 1 341.499 3.425 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000421381488 309321834 /nfs/dbraw/zinc/32/18/34/309321834.db2.gz WTUYEDFWDFGDSR-IRLDBZIGSA-N 2 1 341.543 3.282 20 0 EGADMP COC1([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CCCC1 ZINC000421827158 309341755 /nfs/dbraw/zinc/34/17/55/309341755.db2.gz WNWDLFCLHHIEFI-QZTJIDSGSA-N 2 1 346.515 3.345 20 0 EGADMP COC1([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CCCC1 ZINC000421827158 309341756 /nfs/dbraw/zinc/34/17/56/309341756.db2.gz WNWDLFCLHHIEFI-QZTJIDSGSA-N 2 1 346.515 3.345 20 0 EGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000421858620 309343696 /nfs/dbraw/zinc/34/36/96/309343696.db2.gz ROMJVFMYCFKKKO-AWEZNQCLSA-N 2 1 341.902 3.026 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(OCc3ccccn3)c2)C[C@@H]1C[NH3+] ZINC000422560165 309361652 /nfs/dbraw/zinc/36/16/52/309361652.db2.gz FYNVZCMERSQKAF-LMMKCTJWSA-N 2 1 339.483 3.466 20 0 EGADMP c1ccc(OC2CCCC2)c(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422691118 309363345 /nfs/dbraw/zinc/36/33/45/309363345.db2.gz HMEHSYUYNOQQJY-XUVXKRRUSA-N 2 1 344.499 3.255 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422718776 309364613 /nfs/dbraw/zinc/36/46/13/309364613.db2.gz QAXYSIQIXODZME-CLAROIROSA-N 3 1 341.543 3.061 20 0 EGADMP c1ccc(CC[N@@H+]2CC[C@H](CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422718776 309364614 /nfs/dbraw/zinc/36/46/14/309364614.db2.gz QAXYSIQIXODZME-CLAROIROSA-N 2 1 341.543 3.061 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422718776 309364615 /nfs/dbraw/zinc/36/46/15/309364615.db2.gz QAXYSIQIXODZME-CLAROIROSA-N 2 1 341.543 3.061 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000422740500 309366093 /nfs/dbraw/zinc/36/60/93/309366093.db2.gz MWIWSECJONVTIS-GPHNJDIKSA-N 2 1 337.511 3.370 20 0 EGADMP c1cn(-c2cccc(C[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)c2)cn1 ZINC000422739867 309366108 /nfs/dbraw/zinc/36/61/08/309366108.db2.gz ANZSIJGOJAEKNB-FPOVZHCZSA-N 2 1 332.451 3.455 20 0 EGADMP [NH3+]C1(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CCC1 ZINC000423339115 309396013 /nfs/dbraw/zinc/39/60/13/309396013.db2.gz WLVLPCJEGVTJQA-ZDUSSCGKSA-N 2 1 325.250 3.134 20 0 EGADMP C[NH+](C)CCOc1ccccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422822441 309370413 /nfs/dbraw/zinc/37/04/13/309370413.db2.gz KAEPVHPXYZVZOO-SLFFLAALSA-N 2 1 345.531 3.027 20 0 EGADMP FC(F)(F)CN1CCC([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422854553 309372218 /nfs/dbraw/zinc/37/22/18/309372218.db2.gz BBYQBYFDAUGPJU-DLBZAZTESA-N 2 1 341.421 3.096 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422872534 309373124 /nfs/dbraw/zinc/37/31/24/309373124.db2.gz HMMUVKCSPJDRBG-KSCDAYEDSA-N 2 1 337.511 3.198 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422874856 309373213 /nfs/dbraw/zinc/37/32/13/309373213.db2.gz DKZBPWUBJDFEOR-XVSDAANHSA-N 3 1 327.516 3.291 20 0 EGADMP C[C@H]1CCC[N@H+](Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422874856 309373214 /nfs/dbraw/zinc/37/32/14/309373214.db2.gz DKZBPWUBJDFEOR-XVSDAANHSA-N 2 1 327.516 3.291 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422874856 309373215 /nfs/dbraw/zinc/37/32/15/309373215.db2.gz DKZBPWUBJDFEOR-XVSDAANHSA-N 2 1 327.516 3.291 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000422930795 309376661 /nfs/dbraw/zinc/37/66/61/309376661.db2.gz VXLJTAZPTBOEKH-UYAOXDASSA-N 2 1 342.414 3.180 20 0 EGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CCO2 ZINC000423053432 309383233 /nfs/dbraw/zinc/38/32/33/309383233.db2.gz SGFXIKBQKXCKND-OWYHZJEWSA-N 2 1 330.472 3.419 20 0 EGADMP C[C@H]([NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@@H]1CCCC[NH2+]1 ZINC000423078714 309384795 /nfs/dbraw/zinc/38/47/95/309384795.db2.gz WNQMKBIEGTUSJL-MVJPYGJCSA-N 2 1 334.479 3.020 20 0 EGADMP Fc1cc(-c2ccco2)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423087407 309385392 /nfs/dbraw/zinc/38/53/92/309385392.db2.gz POQPDMMBISMTAU-NZSAHSFTSA-N 2 1 344.430 3.332 20 0 EGADMP Cc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CCC2)cc1C ZINC000423087909 309385398 /nfs/dbraw/zinc/38/53/98/309385398.db2.gz PBENTUJGETWKHF-PWRODBHTSA-N 2 1 342.527 3.472 20 0 EGADMP Clc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000423097817 309385947 /nfs/dbraw/zinc/38/59/47/309385947.db2.gz RFCZIZQGBJVGRF-SJQORLFUSA-N 2 1 334.891 3.333 20 0 EGADMP COc1cc(OC)cc(Oc2cccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])c2)c1 ZINC000423112110 309386563 /nfs/dbraw/zinc/38/65/63/309386563.db2.gz XCBKAGIVQOLKPS-WOJBJXKFSA-N 2 1 342.439 3.466 20 0 EGADMP OC[C@H](C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1Cl ZINC000423133695 309387612 /nfs/dbraw/zinc/38/76/12/309387612.db2.gz VWQXJCZUMZXZEC-SQGPQFPESA-N 2 1 344.886 3.499 20 0 EGADMP OC[C@H](C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1Cl ZINC000423133696 309387686 /nfs/dbraw/zinc/38/76/86/309387686.db2.gz VWQXJCZUMZXZEC-ZWOKBUDYSA-N 2 1 344.886 3.499 20 0 EGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000423135362 309387776 /nfs/dbraw/zinc/38/77/76/309387776.db2.gz NWEGJIWOGDAAJH-WBMJQRKESA-N 2 1 338.373 3.475 20 0 EGADMP Fc1cc(F)c2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)CCC2 ZINC000423146183 309388327 /nfs/dbraw/zinc/38/83/27/309388327.db2.gz OLGLOZSMMBWWLV-AXUOBQJMSA-N 2 1 336.426 3.089 20 0 EGADMP c1ccc([C@@H]2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423159105 309388714 /nfs/dbraw/zinc/38/87/14/309388714.db2.gz OTCXVTQXRVPUDH-XNTOXWQXSA-N 2 1 328.500 3.317 20 0 EGADMP COCCC[C@H]([NH2+][C@@H]1CCCNC1)c1ccc(Br)cc1 ZINC000423183862 309389557 /nfs/dbraw/zinc/38/95/57/309389557.db2.gz ICBFONMVMOXSHT-CVEARBPZSA-N 2 1 341.293 3.258 20 0 EGADMP C[C@H](CCc1c(F)cccc1F)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423187087 309389639 /nfs/dbraw/zinc/38/96/39/309389639.db2.gz LSKWQZYDCUMKIO-OAHLLOKOSA-N 2 1 333.426 3.450 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC[C@@H]3CCC[NH2+]C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423271560 309393294 /nfs/dbraw/zinc/39/32/94/309393294.db2.gz IVUMFUGUDOZJMG-QESAQDPVSA-N 3 1 341.543 3.409 20 0 EGADMP c1ccc(CN2CC[C@H]([NH2+]CC[C@@H]3CCC[NH2+]C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423271560 309393295 /nfs/dbraw/zinc/39/32/95/309393295.db2.gz IVUMFUGUDOZJMG-QESAQDPVSA-N 2 1 341.543 3.409 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])nnn1-c1ccc(Cl)cc1 ZINC000423270527 309393318 /nfs/dbraw/zinc/39/33/18/309393318.db2.gz GNUKLCYRPRAGEY-QEORTHHSSA-N 2 1 347.894 3.397 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ncc(Br)cc1F ZINC000423284621 309393934 /nfs/dbraw/zinc/39/39/34/309393934.db2.gz XDFLEVCRTJNRNH-OUJBWJOFSA-N 2 1 330.245 3.151 20 0 EGADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000423285696 309394122 /nfs/dbraw/zinc/39/41/22/309394122.db2.gz ZUYNFAQUFSSGIN-FZMZJTMJSA-N 2 1 327.266 3.108 20 0 EGADMP [NH3+][C@H](C[NH2+][C@H]1CCc2c1cc(Br)cc2Cl)C1CC1 ZINC000423313811 309394854 /nfs/dbraw/zinc/39/48/54/309394854.db2.gz GBWABPSBCBALEK-KGLIPLIRSA-N 2 1 329.669 3.417 20 0 EGADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000423320278 309394932 /nfs/dbraw/zinc/39/49/32/309394932.db2.gz DKEYQBIZFXEKBY-FUHIMQAGSA-N 2 1 343.515 3.065 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423322346 309395158 /nfs/dbraw/zinc/39/51/58/309395158.db2.gz GYNWZLCGLXWPLE-MJGOQNOKSA-N 2 1 345.531 3.483 20 0 EGADMP CC(C)(C(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423373227 309397500 /nfs/dbraw/zinc/39/75/00/309397500.db2.gz RSZORMFPSGMUKL-IBGZPJMESA-N 2 1 343.515 3.190 20 0 EGADMP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H](C)[NH3+] ZINC000423389207 309398124 /nfs/dbraw/zinc/39/81/24/309398124.db2.gz LGXCANLAHCERBQ-LFGUQSLTSA-N 2 1 345.531 3.117 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000423388190 309398154 /nfs/dbraw/zinc/39/81/54/309398154.db2.gz NFQFUGSBPSSKIV-HTAPYJJXSA-N 3 1 335.495 3.433 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000423388190 309398155 /nfs/dbraw/zinc/39/81/55/309398155.db2.gz NFQFUGSBPSSKIV-HTAPYJJXSA-N 3 1 335.495 3.433 20 0 EGADMP CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+][C@@H](C)C[NH3+])nc1 ZINC000423407965 309398918 /nfs/dbraw/zinc/39/89/18/309398918.db2.gz WSRINPDFDBMTMN-IFXJQAMLSA-N 2 1 331.891 3.388 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(SCC(F)(F)F)cc1 ZINC000423500900 309403340 /nfs/dbraw/zinc/40/33/40/309403340.db2.gz DFZKLPUQPVBXQI-OCCSQVGLSA-N 2 1 348.434 3.370 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000449106599 310037590 /nfs/dbraw/zinc/03/75/90/310037590.db2.gz MPUVBPZESRPVLW-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000449106599 310037591 /nfs/dbraw/zinc/03/75/91/310037591.db2.gz MPUVBPZESRPVLW-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP C[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000448552476 310006146 /nfs/dbraw/zinc/00/61/46/310006146.db2.gz ZVQPHDFXUFIEPR-TZIWHRDSSA-N 2 1 329.532 3.315 20 0 EGADMP C[C@@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@H+](Cc2ccccc2)C1 ZINC000448552476 310006147 /nfs/dbraw/zinc/00/61/47/310006147.db2.gz ZVQPHDFXUFIEPR-TZIWHRDSSA-N 2 1 329.532 3.315 20 0 EGADMP C[C@@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@@H+](Cc2ccccc2)C1 ZINC000448552476 310006148 /nfs/dbraw/zinc/00/61/48/310006148.db2.gz ZVQPHDFXUFIEPR-TZIWHRDSSA-N 2 1 329.532 3.315 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449069848 310034543 /nfs/dbraw/zinc/03/45/43/310034543.db2.gz AAMQPWQCXWBZGM-CQSZACIVSA-N 2 1 341.434 3.157 20 0 EGADMP C[C@@H](Cc1coc2ccccc12)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000449132019 310039232 /nfs/dbraw/zinc/03/92/32/310039232.db2.gz RDOYDPMEERUDBI-KRWDZBQOSA-N 2 1 343.515 3.227 20 0 EGADMP C[C@@H](Cc1coc2ccccc12)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000449287910 310050482 /nfs/dbraw/zinc/05/04/82/310050482.db2.gz XOVJVAUZIDRKIV-IRXDYDNUSA-N 2 1 330.472 3.454 20 0 EGADMP C[C@@H](Cc1coc2ccccc12)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000449287910 310050483 /nfs/dbraw/zinc/05/04/83/310050483.db2.gz XOVJVAUZIDRKIV-IRXDYDNUSA-N 2 1 330.472 3.454 20 0 EGADMP CCO[C@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](CC)CC2)C[C@@H]1C ZINC000449501816 310067323 /nfs/dbraw/zinc/06/73/23/310067323.db2.gz WEQLXXQQLZXHSU-RXVVDRJESA-N 2 1 345.531 3.075 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CCC1 ZINC000449738989 310083355 /nfs/dbraw/zinc/08/33/55/310083355.db2.gz HRRPJBISWQDTDP-PLACYPQZSA-N 2 1 328.500 3.038 20 0 EGADMP CCc1cc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc[nH+]1 ZINC000450374165 310118761 /nfs/dbraw/zinc/11/87/61/310118761.db2.gz VFTDCRAFWSGKGH-UHFFFAOYSA-N 3 1 344.547 3.277 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)CO2 ZINC000453061393 310255390 /nfs/dbraw/zinc/25/53/90/310255390.db2.gz PCKFXNOESQGWJE-SJLPKXTDSA-N 2 1 332.488 3.100 20 0 EGADMP Cc1nccn1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453098140 310257654 /nfs/dbraw/zinc/25/76/54/310257654.db2.gz ZVRWWOPQIJIEDB-NJDAHSKKSA-N 2 1 338.499 3.224 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccncn3)CC2)cs1 ZINC000453103662 310258123 /nfs/dbraw/zinc/25/81/23/310258123.db2.gz BPSHSAZTENQSRY-AWEZNQCLSA-N 2 1 345.516 3.058 20 0 EGADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453237315 310266004 /nfs/dbraw/zinc/26/60/04/310266004.db2.gz VDICGSLMNIHQIK-DOIPELPJSA-N 2 1 330.516 3.284 20 0 EGADMP OCC1(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000453335679 310271676 /nfs/dbraw/zinc/27/16/76/310271676.db2.gz IXRHTBKFTXHMPQ-NJDAHSKKSA-N 2 1 342.527 3.429 20 0 EGADMP C[N@@H+](CCCC[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)C1CC1 ZINC000453593047 310283398 /nfs/dbraw/zinc/28/33/98/310283398.db2.gz GCWZMVUGGDGBDY-UHFFFAOYSA-N 2 1 338.879 3.465 20 0 EGADMP COc1c(Br)cccc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453605047 310283844 /nfs/dbraw/zinc/28/38/44/310283844.db2.gz ZSZSYVUKZDOQGA-UHFFFAOYSA-N 2 1 341.293 3.422 20 0 EGADMP Cc1cc(NC(=O)NCCC[NH2+]C2CCCCC2)cn2cc[nH+]c12 ZINC000455648958 310371225 /nfs/dbraw/zinc/37/12/25/310371225.db2.gz XFTWHYAABQNBMN-UHFFFAOYSA-N 2 1 329.448 3.077 20 0 EGADMP Cc1cc(N2CC[C@H]([NH+]3CCOCC3)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000463071763 310608820 /nfs/dbraw/zinc/60/88/20/310608820.db2.gz LVTOBXDPPZWWPF-INIZCTEOSA-N 2 1 345.874 3.416 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)C[NH+]2CCCCCC2)cc1OC ZINC000480678139 310899191 /nfs/dbraw/zinc/89/91/91/310899191.db2.gz SGTMLHSPWMECNY-IRXDYDNUSA-N 2 1 334.504 3.489 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(C)c1 ZINC000482135868 310926797 /nfs/dbraw/zinc/92/67/97/310926797.db2.gz OJKAGILFNUWGED-IEBWSBKVSA-N 2 1 331.504 3.424 20 0 EGADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000482644906 310935415 /nfs/dbraw/zinc/93/54/15/310935415.db2.gz UOUPNBCOHDAODZ-IKGGRYGDSA-N 2 1 344.421 3.244 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000486939105 311003033 /nfs/dbraw/zinc/00/30/33/311003033.db2.gz JHJIUKSDQQQIEM-FXAWDEMLSA-N 2 1 343.515 3.097 20 0 EGADMP CCC[N@@H+](CCCn1ccnc1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490083510 311132926 /nfs/dbraw/zinc/13/29/26/311132926.db2.gz CEOUBXAFRMPVCY-QGZVFWFLSA-N 2 1 328.460 3.321 20 0 EGADMP CC(C)(C)c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000506010949 312040548 /nfs/dbraw/zinc/04/05/48/312040548.db2.gz WPNLMAPYWOFASC-UHFFFAOYSA-N 2 1 329.532 3.198 20 0 EGADMP C[C@@H](NCC[N@@H+](C)C1CCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709147 312100309 /nfs/dbraw/zinc/10/03/09/312100309.db2.gz FWFJCBYOJGYCOJ-UYAOXDASSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H](NCC[NH+](C)C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508709147 312100311 /nfs/dbraw/zinc/10/03/11/312100311.db2.gz FWFJCBYOJGYCOJ-UYAOXDASSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H](NCC[NH+](C)C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709147 312100313 /nfs/dbraw/zinc/10/03/13/312100313.db2.gz FWFJCBYOJGYCOJ-UYAOXDASSA-N 3 1 329.532 3.361 20 0 EGADMP OC[C@H](CC1CCCC1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000510964672 312151912 /nfs/dbraw/zinc/15/19/12/312151912.db2.gz CXLVXECXZOGHAA-NRFANRHFSA-N 2 1 348.506 3.363 20 0 EGADMP C[C@H]([NH2+][C@@H](CO)CC1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511029321 312153339 /nfs/dbraw/zinc/15/33/39/312153339.db2.gz MKHZSPPBXLGSRP-IOMROCGXSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)[C@H]1C ZINC000512666229 312191748 /nfs/dbraw/zinc/19/17/48/312191748.db2.gz JKFZHBVILFDPNK-LXDWIVHCSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)[C@H]1C ZINC000512666229 312191749 /nfs/dbraw/zinc/19/17/49/312191749.db2.gz JKFZHBVILFDPNK-LXDWIVHCSA-N 2 1 330.516 3.284 20 0 EGADMP Cc1n[nH]c(C)c1C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513495478 312211586 /nfs/dbraw/zinc/21/15/86/312211586.db2.gz QFXSZZXFGXDXMK-HNAYVOBHSA-N 2 1 326.488 3.417 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(C)c1OC ZINC000515556608 312289514 /nfs/dbraw/zinc/28/95/14/312289514.db2.gz LZSQXDYWTNOADQ-WBVHZDCISA-N 2 1 334.504 3.263 20 0 EGADMP Fc1cc(Br)cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1F ZINC000516776642 312341614 /nfs/dbraw/zinc/34/16/14/312341614.db2.gz BVOXCWFTEMEBNW-UHFFFAOYSA-N 2 1 345.231 3.303 20 0 EGADMP C[C@@H]1C[N@@H+](CCCNCc2ncc(C(C)(C)C)s2)CCCO1 ZINC000516920878 312350944 /nfs/dbraw/zinc/35/09/44/312350944.db2.gz PTCZVDSOPNQNMB-CQSZACIVSA-N 2 1 325.522 3.031 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000517125721 312364610 /nfs/dbraw/zinc/36/46/10/312364610.db2.gz YSRXBNWMUUPUMZ-HNNXBMFYSA-N 2 1 325.456 3.207 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(CC(C)C)CC3)CC2)CC1 ZINC000517192072 312367386 /nfs/dbraw/zinc/36/73/86/312367386.db2.gz CHHHUQLLENVUJS-UHFFFAOYSA-N 2 1 349.563 3.125 20 0 EGADMP CCc1nccn1[C@H]1CCC[N@H+]([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000528375719 313077406 /nfs/dbraw/zinc/07/74/06/313077406.db2.gz CSFUOTIRDNMGIC-ZWKOTPCHSA-N 2 1 344.503 3.016 20 0 EGADMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000528375719 313077412 /nfs/dbraw/zinc/07/74/12/313077412.db2.gz CSFUOTIRDNMGIC-ZWKOTPCHSA-N 2 1 344.503 3.016 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000528424801 313090031 /nfs/dbraw/zinc/09/00/31/313090031.db2.gz NDWAPWWWTGYKRW-UIFIKXQLSA-N 2 1 346.490 3.332 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000528424801 313090033 /nfs/dbraw/zinc/09/00/33/313090033.db2.gz NDWAPWWWTGYKRW-UIFIKXQLSA-N 2 1 346.490 3.332 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000528424801 313090035 /nfs/dbraw/zinc/09/00/35/313090035.db2.gz NDWAPWWWTGYKRW-UIFIKXQLSA-N 2 1 346.490 3.332 20 0 EGADMP Cc1cccc(C)c1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000536901522 314153139 /nfs/dbraw/zinc/15/31/39/314153139.db2.gz QDRRPDCGRDAKTF-IBGZPJMESA-N 2 1 343.540 3.443 20 0 EGADMP C[C@H](Cc1cc(Br)ccc1F)[NH2+]C1CC[NH+](C)CC1 ZINC000537938576 314218213 /nfs/dbraw/zinc/21/82/13/314218213.db2.gz FXFLDYFIYPOACT-LLVKDONJSA-N 2 1 329.257 3.203 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2C)[C@@H](C)C1 ZINC000537963663 314220399 /nfs/dbraw/zinc/22/03/99/314220399.db2.gz ROWZOPVIKANSHK-FXAWDEMLSA-N 2 1 334.504 3.230 20 0 EGADMP CC(C)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000537992210 314222258 /nfs/dbraw/zinc/22/22/58/314222258.db2.gz ZPPRDXPHCNKQRM-HXHBTQRASA-N 2 1 343.559 3.388 20 0 EGADMP CC(C)[C@H](CN[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000537992210 314222262 /nfs/dbraw/zinc/22/22/62/314222262.db2.gz ZPPRDXPHCNKQRM-HXHBTQRASA-N 2 1 343.559 3.388 20 0 EGADMP CC(C)[C@H](CN[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000537992210 314222265 /nfs/dbraw/zinc/22/22/65/314222265.db2.gz ZPPRDXPHCNKQRM-HXHBTQRASA-N 2 1 343.559 3.388 20 0 EGADMP CC(C)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000537992210 314222273 /nfs/dbraw/zinc/22/22/73/314222273.db2.gz ZPPRDXPHCNKQRM-HXHBTQRASA-N 2 1 343.559 3.388 20 0 EGADMP Cc1cc([C@H]([NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)C2CC2)ccc1F ZINC000538098551 314226941 /nfs/dbraw/zinc/22/69/41/314226941.db2.gz IDSGFVOVOCXROE-AZUAARDMSA-N 2 1 334.479 3.268 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000539407564 314312423 /nfs/dbraw/zinc/31/24/23/314312423.db2.gz NKHKDRRIBVQZFQ-XLIONFOSSA-N 2 1 334.504 3.231 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC000548858585 315055428 /nfs/dbraw/zinc/05/54/28/315055428.db2.gz OJBKBQXZTALWOO-MISYRCLQSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC000548858585 315055430 /nfs/dbraw/zinc/05/54/30/315055430.db2.gz OJBKBQXZTALWOO-MISYRCLQSA-N 2 1 328.500 3.446 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@H]3CCC34CCOCC4)C2)cc1 ZINC000548860824 315056255 /nfs/dbraw/zinc/05/62/55/315056255.db2.gz WOGDEBOUGYUFFG-PMACEKPBSA-N 2 1 328.500 3.100 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCC34CCOCC4)C2)cc1 ZINC000548860826 315056275 /nfs/dbraw/zinc/05/62/75/315056275.db2.gz WOGDEBOUGYUFFG-VQTJNVASSA-N 2 1 328.500 3.100 20 0 EGADMP COc1cccc2c(N3CC[C@@H](C[NH+]4CCCC4)C3)cc(C)[nH+]c12 ZINC000549525049 315094917 /nfs/dbraw/zinc/09/49/17/315094917.db2.gz QZQACQPXPYSGTM-INIZCTEOSA-N 2 1 325.456 3.474 20 0 EGADMP CC(C)[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552046587 315192703 /nfs/dbraw/zinc/19/27/03/315192703.db2.gz LSCQLAXDPHLJCV-DOIPELPJSA-N 2 1 330.516 3.284 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CN[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000552098650 315197937 /nfs/dbraw/zinc/19/79/37/315197937.db2.gz KQNYLTFASRUXID-GIVPXCGWSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CCC[C@H]1CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552098650 315197940 /nfs/dbraw/zinc/19/79/40/315197940.db2.gz KQNYLTFASRUXID-GIVPXCGWSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CCC[C@H]1CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000552098650 315197943 /nfs/dbraw/zinc/19/79/43/315197943.db2.gz KQNYLTFASRUXID-GIVPXCGWSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000552337377 315214324 /nfs/dbraw/zinc/21/43/24/315214324.db2.gz RVOSMEATUSJTGE-FNAHDJPLSA-N 2 1 341.543 3.361 20 0 EGADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552337377 315214328 /nfs/dbraw/zinc/21/43/28/315214328.db2.gz RVOSMEATUSJTGE-FNAHDJPLSA-N 2 1 341.543 3.361 20 0 EGADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552337377 315214329 /nfs/dbraw/zinc/21/43/29/315214329.db2.gz RVOSMEATUSJTGE-FNAHDJPLSA-N 2 1 341.543 3.361 20 0 EGADMP CCCN1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552337377 315214333 /nfs/dbraw/zinc/21/43/33/315214333.db2.gz RVOSMEATUSJTGE-FNAHDJPLSA-N 2 1 341.543 3.361 20 0 EGADMP CCCN1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552337377 315214335 /nfs/dbraw/zinc/21/43/35/315214335.db2.gz RVOSMEATUSJTGE-FNAHDJPLSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000552996708 315240700 /nfs/dbraw/zinc/24/07/00/315240700.db2.gz DEIDKFFTFRFQCS-SFHVURJKSA-N 2 1 345.531 3.175 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(C(C)C)CC3)CC2)CC1 ZINC000553491421 315266847 /nfs/dbraw/zinc/26/68/47/315266847.db2.gz IJTYZWCWZRMPQK-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000553512595 315267904 /nfs/dbraw/zinc/26/79/04/315267904.db2.gz FRPJESYBDQTGOE-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000553512595 315267907 /nfs/dbraw/zinc/26/79/07/315267907.db2.gz FRPJESYBDQTGOE-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000553512595 315267911 /nfs/dbraw/zinc/26/79/11/315267911.db2.gz FRPJESYBDQTGOE-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2C[C@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000555232920 315374661 /nfs/dbraw/zinc/37/46/61/315374661.db2.gz PUQVHSGVFNXXBT-JPLJXNOCSA-N 2 1 340.552 3.307 20 0 EGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000563572063 316039415 /nfs/dbraw/zinc/03/94/15/316039415.db2.gz RZGZTSSOTSOTRA-UHFFFAOYSA-N 2 1 340.393 3.275 20 0 EGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000563572063 316039417 /nfs/dbraw/zinc/03/94/17/316039417.db2.gz RZGZTSSOTSOTRA-UHFFFAOYSA-N 2 1 340.393 3.275 20 0 EGADMP Cc1cnc2cc(C(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)ccn12 ZINC000564352928 316142299 /nfs/dbraw/zinc/14/22/99/316142299.db2.gz YODBJOZPDYTVDQ-DOTOQJQBSA-N 2 1 340.471 3.026 20 0 EGADMP Fc1ccccc1-c1cnc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000565308491 316307373 /nfs/dbraw/zinc/30/73/73/316307373.db2.gz VRDZKAWBYTYXJA-CABCVRRESA-N 2 1 329.419 3.302 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000565770157 316368004 /nfs/dbraw/zinc/36/80/04/316368004.db2.gz HHFSVZRIUWYHJP-JSGCOSHPSA-N 2 1 343.393 3.106 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC000568006617 316708948 /nfs/dbraw/zinc/70/89/48/316708948.db2.gz LEZIAEZMUYFFFA-QFBILLFUSA-N 2 1 346.421 3.456 20 0 EGADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)N1CCCc2ccccc21 ZINC000568131102 316728332 /nfs/dbraw/zinc/72/83/32/316728332.db2.gz NNEIWUXKWVSHFJ-VQIMIIECSA-N 2 1 345.531 3.310 20 0 EGADMP CCc1nc2ccccc2n1Cc1noc(C[N@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000570123576 317010795 /nfs/dbraw/zinc/01/07/95/317010795.db2.gz SXIJGPIYWYQFCZ-OKILXGFUSA-N 2 1 339.443 3.403 20 0 EGADMP CCc1nc2ccccc2n1Cc1noc(C[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000570123576 317010798 /nfs/dbraw/zinc/01/07/98/317010798.db2.gz SXIJGPIYWYQFCZ-OKILXGFUSA-N 2 1 339.443 3.403 20 0 EGADMP C[C@H]1C[C@@H](NCc2n[nH]c(C(C)(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000571288566 317179054 /nfs/dbraw/zinc/17/90/54/317179054.db2.gz QGWSPAHFUGVWFI-RDJZCZTQSA-N 2 1 341.503 3.245 20 0 EGADMP COc1ccc(Br)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228545947 456123168 /nfs/dbraw/zinc/12/31/68/456123168.db2.gz JYOHPVAMDPKLAZ-SGIREYDYSA-N 2 1 339.277 3.017 20 0 EGADMP COc1ccc(Br)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228545947 456123176 /nfs/dbraw/zinc/12/31/76/456123176.db2.gz JYOHPVAMDPKLAZ-SGIREYDYSA-N 2 1 339.277 3.017 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)[C@H](C)C1 ZINC000178396700 323356269 /nfs/dbraw/zinc/35/62/69/323356269.db2.gz PUMPRDCJUUWWHO-ABAIWWIYSA-N 2 1 329.257 3.408 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)[C@H](C)C1 ZINC000178396700 323356272 /nfs/dbraw/zinc/35/62/72/323356272.db2.gz PUMPRDCJUUWWHO-ABAIWWIYSA-N 2 1 329.257 3.408 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000386538045 324268861 /nfs/dbraw/zinc/26/88/61/324268861.db2.gz CLPWBWCNDVPORB-NVXWUHKLSA-N 2 1 339.524 3.238 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000578761988 325015223 /nfs/dbraw/zinc/01/52/23/325015223.db2.gz WAIJXHNCMAMPMO-ZACQAIPSSA-N 2 1 344.421 3.244 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(C)c3C)CC2)CC1 ZINC000578784533 325019157 /nfs/dbraw/zinc/01/91/57/325019157.db2.gz NOVJDDYJNVFKNE-UHFFFAOYSA-N 2 1 343.515 3.438 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000578795660 325019945 /nfs/dbraw/zinc/01/99/45/325019945.db2.gz RFXXJZJBIOZRGF-IBGZPJMESA-N 2 1 329.488 3.412 20 0 EGADMP CC(C)n1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nn1 ZINC000580118392 325205468 /nfs/dbraw/zinc/20/54/68/325205468.db2.gz DZKWDAWGRNQUAA-PKOBYXMFSA-N 2 1 341.503 3.249 20 0 EGADMP CC(C)(C)[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000581052239 325324487 /nfs/dbraw/zinc/32/44/87/325324487.db2.gz GYTVNWGJSCFYNE-SFHVURJKSA-N 2 1 335.536 3.116 20 0 EGADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000581052239 325324489 /nfs/dbraw/zinc/32/44/89/325324489.db2.gz GYTVNWGJSCFYNE-SFHVURJKSA-N 2 1 335.536 3.116 20 0 EGADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000581052239 325324491 /nfs/dbraw/zinc/32/44/91/325324491.db2.gz GYTVNWGJSCFYNE-SFHVURJKSA-N 2 1 335.536 3.116 20 0 EGADMP Cc1ccc2cc([C@@H](C)[NH2+]CCCCN3CC[NH+](C)CC3)oc2c1 ZINC000581643509 325378114 /nfs/dbraw/zinc/37/81/14/325378114.db2.gz BYNUURJGAYBNDB-QGZVFWFLSA-N 2 1 329.488 3.419 20 0 EGADMP CCc1cccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000157710404 455223894 /nfs/dbraw/zinc/22/38/94/455223894.db2.gz PLGGDODXQBVXKO-LJQANCHMSA-N 2 1 346.519 3.129 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(C)nc2C(F)F)CC1 ZINC000361176757 457630518 /nfs/dbraw/zinc/63/05/18/457630518.db2.gz IZEXVXVGTNAZRV-UHFFFAOYSA-N 2 1 328.451 3.302 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000173345969 455269821 /nfs/dbraw/zinc/26/98/21/455269821.db2.gz HNDXDGCXBYRGEW-CYBMUJFWSA-N 2 1 330.394 3.203 20 0 EGADMP COc1cccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)co2)c1 ZINC000631828543 460575218 /nfs/dbraw/zinc/57/52/18/460575218.db2.gz RLEGQQYMXMHNHV-LZWOXQAQSA-N 2 1 329.444 3.155 20 0 EGADMP COc1cccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)co2)c1 ZINC000631828543 460575220 /nfs/dbraw/zinc/57/52/20/460575220.db2.gz RLEGQQYMXMHNHV-LZWOXQAQSA-N 2 1 329.444 3.155 20 0 EGADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000075022711 453853877 /nfs/dbraw/zinc/85/38/77/453853877.db2.gz VRGPGNLUTNSLJQ-YLJYHZDGSA-N 2 1 343.515 3.019 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000081409337 453869449 /nfs/dbraw/zinc/86/94/49/453869449.db2.gz BLHFWVJINIGUOT-UHFFFAOYSA-N 2 1 346.519 3.120 20 0 EGADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1cccc(Cl)c1 ZINC000075834345 453929976 /nfs/dbraw/zinc/92/99/76/453929976.db2.gz ISJMWJYDFJJTHX-MRXNPFEDSA-N 2 1 349.906 3.476 20 0 EGADMP C[N@@H+](CCOCC(F)(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174399039 455386917 /nfs/dbraw/zinc/38/69/17/455386917.db2.gz PMUWEHZAWABWSJ-INIZCTEOSA-N 2 1 330.394 3.019 20 0 EGADMP C[NH+](CCOCC(F)(F)F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174399039 455386920 /nfs/dbraw/zinc/38/69/20/455386920.db2.gz PMUWEHZAWABWSJ-INIZCTEOSA-N 2 1 330.394 3.019 20 0 EGADMP C[NH+](CCOCC(F)(F)F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174399039 455386924 /nfs/dbraw/zinc/38/69/24/455386924.db2.gz PMUWEHZAWABWSJ-INIZCTEOSA-N 2 1 330.394 3.019 20 0 EGADMP CCc1ccccc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000076331838 453989958 /nfs/dbraw/zinc/98/99/58/453989958.db2.gz OEQNDAWBBJFKBL-GOSISDBHSA-N 2 1 346.519 3.129 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000056999170 454095101 /nfs/dbraw/zinc/09/51/01/454095101.db2.gz FPRSROGEFJSBAE-BBWFWOEESA-N 2 1 349.519 3.218 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCCC[NH+]1CCC[C@H](C)C1)c1ccccc1 ZINC000057912613 454156140 /nfs/dbraw/zinc/15/61/40/454156140.db2.gz CCTXFAOQIZSPGM-ICSRJNTNSA-N 2 1 345.531 3.308 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000057912613 454156143 /nfs/dbraw/zinc/15/61/43/454156143.db2.gz CCTXFAOQIZSPGM-ICSRJNTNSA-N 2 1 345.531 3.308 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000057912613 454156145 /nfs/dbraw/zinc/15/61/45/454156145.db2.gz CCTXFAOQIZSPGM-ICSRJNTNSA-N 2 1 345.531 3.308 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000089555983 454162710 /nfs/dbraw/zinc/16/27/10/454162710.db2.gz FVNKEJNMRBTLAD-XJKCOSOUSA-N 2 1 348.878 3.251 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC(C)(C)O1 ZINC000119533805 454202423 /nfs/dbraw/zinc/20/24/23/454202423.db2.gz QAIVGVPUWSECHO-KRWDZBQOSA-N 2 1 345.531 3.216 20 0 EGADMP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000130527185 454202810 /nfs/dbraw/zinc/20/28/10/454202810.db2.gz JFZVZGFECZYVRV-PXNSSMCTSA-N 2 1 345.531 3.121 20 0 EGADMP C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058470711 454207344 /nfs/dbraw/zinc/20/73/44/454207344.db2.gz GPQQXKCRPBWRSQ-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OC[C@@H]2CCCO2)[C@H](C)C1 ZINC000119763217 454219146 /nfs/dbraw/zinc/21/91/46/454219146.db2.gz SFXFBQCBWNIQKV-HOJAQTOUSA-N 2 1 346.515 3.373 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OC[C@@H]2CCCO2)[C@H](C)C1 ZINC000119763217 454219148 /nfs/dbraw/zinc/21/91/48/454219148.db2.gz SFXFBQCBWNIQKV-HOJAQTOUSA-N 2 1 346.515 3.373 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCOC2CCOCC2)cc1 ZINC000090082879 454274565 /nfs/dbraw/zinc/27/45/65/454274565.db2.gz NWYRLAPOPQFYJU-INIZCTEOSA-N 2 1 343.471 3.417 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2Oc2ccccc2C)CC1 ZINC000090593037 454326648 /nfs/dbraw/zinc/32/66/48/454326648.db2.gz FDOHUUYDMSBVHY-PZJWPPBQSA-N 2 1 346.515 3.385 20 0 EGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000090666979 454334651 /nfs/dbraw/zinc/33/46/51/454334651.db2.gz GMSKBVJLHYTZKF-QGZVFWFLSA-N 2 1 336.549 3.212 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000090666979 454334656 /nfs/dbraw/zinc/33/46/56/454334656.db2.gz GMSKBVJLHYTZKF-QGZVFWFLSA-N 2 1 336.549 3.212 20 0 EGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000120810951 454350583 /nfs/dbraw/zinc/35/05/83/454350583.db2.gz IZPWJIOJMGCKBV-HNNXBMFYSA-N 2 1 348.441 3.199 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000120810951 454350587 /nfs/dbraw/zinc/35/05/87/454350587.db2.gz IZPWJIOJMGCKBV-HNNXBMFYSA-N 2 1 348.441 3.199 20 0 EGADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)n1 ZINC000096484316 454366016 /nfs/dbraw/zinc/36/60/16/454366016.db2.gz HRBXCNAGMIKIGO-PZJWPPBQSA-N 2 1 338.499 3.248 20 0 EGADMP c1ccc2c(c1)CCSC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000133088367 454392214 /nfs/dbraw/zinc/39/22/14/454392214.db2.gz VIIIHNNMDOZNMP-UZLBHIALSA-N 2 1 346.540 3.108 20 0 EGADMP C[N@H+](Cc1ccc(F)c(Br)c1)CC1CC[NH+](C)CC1 ZINC000063121440 454394618 /nfs/dbraw/zinc/39/46/18/454394618.db2.gz VHAQUCNKFXVUNS-UHFFFAOYSA-N 2 1 329.257 3.362 20 0 EGADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000047978330 454427208 /nfs/dbraw/zinc/42/72/08/454427208.db2.gz NVWAUYUADDLMIK-UHFFFAOYSA-N 2 1 346.450 3.430 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000121454265 454437513 /nfs/dbraw/zinc/43/75/13/454437513.db2.gz VQQVYPNDBCBTAN-RDJZCZTQSA-N 2 1 342.487 3.451 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3ccc4nccnc4c3)C2)cc1 ZINC000634979046 460639168 /nfs/dbraw/zinc/63/91/68/460639168.db2.gz UKCJOIKZCMNERE-IBGZPJMESA-N 2 1 332.451 3.242 20 0 EGADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)o1 ZINC000134046466 454496704 /nfs/dbraw/zinc/49/67/04/454496704.db2.gz SOTCHWZQLDUXLI-HNNXBMFYSA-N 2 1 342.439 3.165 20 0 EGADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000134046466 454496708 /nfs/dbraw/zinc/49/67/08/454496708.db2.gz SOTCHWZQLDUXLI-HNNXBMFYSA-N 2 1 342.439 3.165 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000064737157 454501113 /nfs/dbraw/zinc/50/11/13/454501113.db2.gz CJBFAHDROOYYQH-MRXNPFEDSA-N 2 1 342.487 3.099 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)c1ccsc1 ZINC000104144405 454576740 /nfs/dbraw/zinc/57/67/40/454576740.db2.gz XIAQPSJFCCSVGC-SJORKVTESA-N 2 1 337.533 3.122 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000104143948 454576774 /nfs/dbraw/zinc/57/67/74/454576774.db2.gz ZQSSZIBWRLHWSX-LJQANCHMSA-N 2 1 329.488 3.485 20 0 EGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000092796519 454634665 /nfs/dbraw/zinc/63/46/65/454634665.db2.gz SXDIEBFDQHOXAX-QUCCMNQESA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135120333 454635913 /nfs/dbraw/zinc/63/59/13/454635913.db2.gz IBNIBZSJTAINGA-GOSISDBHSA-N 2 1 332.488 3.416 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135120333 454635921 /nfs/dbraw/zinc/63/59/21/454635921.db2.gz IBNIBZSJTAINGA-GOSISDBHSA-N 2 1 332.488 3.416 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135120333 454635923 /nfs/dbraw/zinc/63/59/23/454635923.db2.gz IBNIBZSJTAINGA-GOSISDBHSA-N 2 1 332.488 3.416 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135120333 454635929 /nfs/dbraw/zinc/63/59/29/454635929.db2.gz IBNIBZSJTAINGA-GOSISDBHSA-N 2 1 332.488 3.416 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135120333 454635936 /nfs/dbraw/zinc/63/59/36/454635936.db2.gz IBNIBZSJTAINGA-GOSISDBHSA-N 2 1 332.488 3.416 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1)c1ccccc1 ZINC000124327935 454718916 /nfs/dbraw/zinc/71/89/16/454718916.db2.gz ITNZTCMHOKCAFW-AZUAARDMSA-N 2 1 345.531 3.164 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000124327935 454718919 /nfs/dbraw/zinc/71/89/19/454718919.db2.gz ITNZTCMHOKCAFW-AZUAARDMSA-N 2 1 345.531 3.164 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC000124327935 454718922 /nfs/dbraw/zinc/71/89/22/454718922.db2.gz ITNZTCMHOKCAFW-AZUAARDMSA-N 2 1 345.531 3.164 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cnn(C)c3)CC2)cs1 ZINC000161782343 454723473 /nfs/dbraw/zinc/72/34/73/454723473.db2.gz ZMQMJEXLTZTCQH-AWEZNQCLSA-N 2 1 347.532 3.002 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCC[C@@H]4OCC[C@@H]43)CC2)cc1 ZINC000124899138 454780632 /nfs/dbraw/zinc/78/06/32/454780632.db2.gz LLNIUAVWEMDZEE-HKBOAZHASA-N 2 1 328.500 3.241 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)c2)CCO1 ZINC000153497533 454800231 /nfs/dbraw/zinc/80/02/31/454800231.db2.gz PUMNGDHIWXCANM-VQIMIIECSA-N 2 1 346.515 3.343 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)c2)CCO1 ZINC000153497533 454800234 /nfs/dbraw/zinc/80/02/34/454800234.db2.gz PUMNGDHIWXCANM-VQIMIIECSA-N 2 1 346.515 3.343 20 0 EGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000125278304 454810900 /nfs/dbraw/zinc/81/09/00/454810900.db2.gz QPCSVUKVVIICAR-UHFFFAOYSA-N 2 1 326.444 3.185 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000125278304 454810901 /nfs/dbraw/zinc/81/09/01/454810901.db2.gz QPCSVUKVVIICAR-UHFFFAOYSA-N 2 1 326.444 3.185 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCOC[C@H]2CCCO2)cc1 ZINC000163501552 454851726 /nfs/dbraw/zinc/85/17/26/454851726.db2.gz GFLKAXKPYHHAMG-OXQOHEQNSA-N 2 1 343.471 3.417 20 0 EGADMP Brc1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)C2 ZINC000110821666 454853930 /nfs/dbraw/zinc/85/39/30/454853930.db2.gz ZHTYWTJDUVSKFH-CXAGYDPISA-N 2 1 349.316 3.380 20 0 EGADMP CC(C)N(C)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000177426636 454863423 /nfs/dbraw/zinc/86/34/23/454863423.db2.gz VFXUMMAPNKKEKF-ROUUACIJSA-N 2 1 345.531 3.406 20 0 EGADMP CC[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000154365456 454889082 /nfs/dbraw/zinc/88/90/82/454889082.db2.gz BDEHOWOVUMIRJK-SFHVURJKSA-N 2 1 325.447 3.033 20 0 EGADMP CC[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000154429245 454895398 /nfs/dbraw/zinc/89/53/98/454895398.db2.gz KRCZGGPBBWNLNP-AWEZNQCLSA-N 2 1 329.941 3.470 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc(=O)oc2c1C ZINC000150811977 454895662 /nfs/dbraw/zinc/89/56/62/454895662.db2.gz UYSNRSYBFDWDJW-QGZVFWFLSA-N 2 1 340.467 3.328 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc(=O)oc2c1C ZINC000150811977 454895666 /nfs/dbraw/zinc/89/56/66/454895666.db2.gz UYSNRSYBFDWDJW-QGZVFWFLSA-N 2 1 340.467 3.328 20 0 EGADMP CCc1ccc2c(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc(=O)oc2c1 ZINC000150857330 454902782 /nfs/dbraw/zinc/90/27/82/454902782.db2.gz FEOGUOMFSYYRHG-KRWDZBQOSA-N 2 1 340.467 3.273 20 0 EGADMP CCc1ccc2c(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc(=O)oc2c1 ZINC000150857330 454902784 /nfs/dbraw/zinc/90/27/84/454902784.db2.gz FEOGUOMFSYYRHG-KRWDZBQOSA-N 2 1 340.467 3.273 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000177838023 454911864 /nfs/dbraw/zinc/91/18/64/454911864.db2.gz FILFSDYBMQZJOK-IIDMSEBBSA-N 2 1 341.455 3.350 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)[C@H](C)C1 ZINC000154840997 454935257 /nfs/dbraw/zinc/93/52/57/454935257.db2.gz FGLJMFGZZARGPQ-QMMLZNLJSA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(OC)c2)N2CCCC2)[C@H](C)C1 ZINC000154840997 454935259 /nfs/dbraw/zinc/93/52/59/454935259.db2.gz FGLJMFGZZARGPQ-QMMLZNLJSA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(OC)c2)N2CCCC2)[C@H](C)C1 ZINC000154840997 454935263 /nfs/dbraw/zinc/93/52/63/454935263.db2.gz FGLJMFGZZARGPQ-QMMLZNLJSA-N 2 1 345.531 3.152 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000154860943 454937152 /nfs/dbraw/zinc/93/71/52/454937152.db2.gz ZYWLQXPVCAWIEY-UHFFFAOYSA-N 2 1 339.474 3.346 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C2CCCCC2)CC1 ZINC000114455424 454954973 /nfs/dbraw/zinc/95/49/73/454954973.db2.gz WATYPOKFHRUGKL-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@@H+](CC1CC[NH2+]CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000178969985 454994155 /nfs/dbraw/zinc/99/41/55/454994155.db2.gz XPIGATFWFNKCDN-UHFFFAOYSA-N 2 1 343.515 3.003 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3nccs3)CC2)cc1 ZINC000127901454 455007464 /nfs/dbraw/zinc/00/74/64/455007464.db2.gz GQARDADLILQABG-UHFFFAOYSA-N 2 1 333.476 3.121 20 0 EGADMP CC[C@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[NH+]1CCCC1 ZINC000151673113 455015453 /nfs/dbraw/zinc/01/54/53/455015453.db2.gz VSUYPOUTOIEHEE-PKOBYXMFSA-N 2 1 333.520 3.152 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ncc(Br)s1 ZINC000179224901 455022724 /nfs/dbraw/zinc/02/27/24/455022724.db2.gz RYPHLSQDNGRXHQ-NXEZZACHSA-N 2 1 343.294 3.397 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000151757222 455026001 /nfs/dbraw/zinc/02/60/01/455026001.db2.gz SFMXGVMPCYJVGB-XLIONFOSSA-N 2 1 338.499 3.290 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)nc2)CC[N@H+]1Cc1ccccc1 ZINC000151757222 455026007 /nfs/dbraw/zinc/02/60/07/455026007.db2.gz SFMXGVMPCYJVGB-XLIONFOSSA-N 2 1 338.499 3.290 20 0 EGADMP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000151783835 455030051 /nfs/dbraw/zinc/03/00/51/455030051.db2.gz QEYFKPFDLVQENM-ZCNNSNEGSA-N 2 1 328.500 3.444 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000128476947 455060277 /nfs/dbraw/zinc/06/02/77/455060277.db2.gz YOIPARPFXBPMRF-LJQANCHMSA-N 2 1 343.515 3.050 20 0 EGADMP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)c2ccccc2)CC1 ZINC000600965637 460659407 /nfs/dbraw/zinc/65/94/07/460659407.db2.gz RCKPOLTZXJZZRV-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(OC)cc2)N2CCCC2)[C@H](C)C1 ZINC000156641827 455140863 /nfs/dbraw/zinc/14/08/63/455140863.db2.gz DLQMSGYPVIJULU-QMMLZNLJSA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(OC)cc2)N2CCCC2)[C@H](C)C1 ZINC000156641827 455140868 /nfs/dbraw/zinc/14/08/68/455140868.db2.gz DLQMSGYPVIJULU-QMMLZNLJSA-N 2 1 345.531 3.152 20 0 EGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189272747 455167709 /nfs/dbraw/zinc/16/77/09/455167709.db2.gz FKKRELRTDZXSPW-OALUTQOASA-N 2 1 330.451 3.033 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)C2([NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000237564357 455195494 /nfs/dbraw/zinc/19/54/94/455195494.db2.gz CENOIXQGBWWDSP-MJGOQNOKSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)N(C)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000245478964 455310568 /nfs/dbraw/zinc/31/05/68/455310568.db2.gz VYZDIIVUVNZLDJ-QZTJIDSGSA-N 2 1 345.531 3.263 20 0 EGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000245572407 455332476 /nfs/dbraw/zinc/33/24/76/455332476.db2.gz CIDGISHJSOOYEI-LISAXSMJSA-N 2 1 334.504 3.201 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000173924626 455341453 /nfs/dbraw/zinc/34/14/53/455341453.db2.gz ZWOXGGBZYQFMBE-AWEZNQCLSA-N 2 1 348.878 3.206 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000173924626 455341458 /nfs/dbraw/zinc/34/14/58/455341458.db2.gz ZWOXGGBZYQFMBE-AWEZNQCLSA-N 2 1 348.878 3.206 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000173924626 455341465 /nfs/dbraw/zinc/34/14/65/455341465.db2.gz ZWOXGGBZYQFMBE-AWEZNQCLSA-N 2 1 348.878 3.206 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000173924626 455341469 /nfs/dbraw/zinc/34/14/69/455341469.db2.gz ZWOXGGBZYQFMBE-AWEZNQCLSA-N 2 1 348.878 3.206 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245721942 455363818 /nfs/dbraw/zinc/36/38/18/455363818.db2.gz UVWVDUPHZSHFLS-GVDBMIGSSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246015943 455414836 /nfs/dbraw/zinc/41/48/36/455414836.db2.gz LRWVADXGZRXOJC-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191256201 455472015 /nfs/dbraw/zinc/47/20/15/455472015.db2.gz XSFSQLZQFKQJCC-OAHLLOKOSA-N 2 1 336.524 3.098 20 0 EGADMP O=C(CCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)OCc1ccccc1 ZINC000182279716 455479380 /nfs/dbraw/zinc/47/93/80/455479380.db2.gz WCSHBJSBKMKOQA-RBUKOAKNSA-N 2 1 330.472 3.117 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc(-c3ccccn3)cs2)[C@@H](C)C1 ZINC000246466064 455494381 /nfs/dbraw/zinc/49/43/81/455494381.db2.gz QEGBJAZHRKMEHS-LSDHHAIUSA-N 2 1 330.501 3.068 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000246879817 455533577 /nfs/dbraw/zinc/53/35/77/455533577.db2.gz GPGNCJDJTFEZJF-IKGGRYGDSA-N 2 1 339.524 3.001 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccsc1 ZINC000267401130 455549873 /nfs/dbraw/zinc/54/98/73/455549873.db2.gz ZPVDKTAPNYWCLZ-YJBOKZPZSA-N 2 1 349.544 3.122 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000247073771 455555199 /nfs/dbraw/zinc/55/51/99/455555199.db2.gz OKNBJKRPSIORKH-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)C1 ZINC000247073771 455555204 /nfs/dbraw/zinc/55/52/04/455555204.db2.gz OKNBJKRPSIORKH-LQWHRVPQSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)C1 ZINC000247073771 455555207 /nfs/dbraw/zinc/55/52/07/455555207.db2.gz OKNBJKRPSIORKH-LQWHRVPQSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCN(C)[C@@H](C)C3)cc2)C1 ZINC000247073771 455555209 /nfs/dbraw/zinc/55/52/09/455555209.db2.gz OKNBJKRPSIORKH-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCN(C)[C@@H](C)C3)cc2)C1 ZINC000247073771 455555212 /nfs/dbraw/zinc/55/52/12/455555212.db2.gz OKNBJKRPSIORKH-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000247073771 455555214 /nfs/dbraw/zinc/55/52/14/455555214.db2.gz OKNBJKRPSIORKH-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000247073771 455555218 /nfs/dbraw/zinc/55/52/18/455555218.db2.gz OKNBJKRPSIORKH-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)C1 ZINC000247073771 455555221 /nfs/dbraw/zinc/55/52/21/455555221.db2.gz OKNBJKRPSIORKH-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)C1 ZINC000247073771 455555223 /nfs/dbraw/zinc/55/52/23/455555223.db2.gz OKNBJKRPSIORKH-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000247110057 455560474 /nfs/dbraw/zinc/56/04/74/455560474.db2.gz SZYAFEFTXKDPKB-SFHLNBCPSA-N 2 1 344.547 3.002 20 0 EGADMP CC(C)CN(C(=O)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000185671712 455592934 /nfs/dbraw/zinc/59/29/34/455592934.db2.gz FNZYPDPJQREHHI-MSOLQXFVSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CN(C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000185671712 455592935 /nfs/dbraw/zinc/59/29/35/455592935.db2.gz FNZYPDPJQREHHI-MSOLQXFVSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CN(C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000185671712 455592936 /nfs/dbraw/zinc/59/29/36/455592936.db2.gz FNZYPDPJQREHHI-MSOLQXFVSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185711569 455603009 /nfs/dbraw/zinc/60/30/09/455603009.db2.gz BDCPHUGGDOMAGZ-RMJJICAUSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185711569 455603016 /nfs/dbraw/zinc/60/30/16/455603016.db2.gz BDCPHUGGDOMAGZ-RMJJICAUSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCC(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185722335 455605843 /nfs/dbraw/zinc/60/58/43/455605843.db2.gz YJYHICKRKLVNPJ-FRPQEJHRSA-N 2 1 349.563 3.312 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCC(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185722335 455605845 /nfs/dbraw/zinc/60/58/45/455605845.db2.gz YJYHICKRKLVNPJ-FRPQEJHRSA-N 2 1 349.563 3.312 20 0 EGADMP C[C@@H]([NH2+]CC(=O)NCCC1=CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185756349 455616072 /nfs/dbraw/zinc/61/60/72/455616072.db2.gz JXNSCXBWZFQJTK-IEBWSBKVSA-N 2 1 347.547 3.236 20 0 EGADMP C[C@@H]([NH2+]CC(=O)NCCC1=CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185756349 455616077 /nfs/dbraw/zinc/61/60/77/455616077.db2.gz JXNSCXBWZFQJTK-IEBWSBKVSA-N 2 1 347.547 3.236 20 0 EGADMP COC(=O)C1CCC([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000192440745 455617202 /nfs/dbraw/zinc/61/72/02/455617202.db2.gz PIYVVMMWPYFCNW-UHFFFAOYSA-N 2 1 332.488 3.348 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Cl)s1 ZINC000271488466 455656832 /nfs/dbraw/zinc/65/68/32/455656832.db2.gz JYCYOEAPVFCQDD-IACUBPJLSA-N 2 1 328.909 3.430 20 0 EGADMP CCCC[C@H](CC)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247942507 455657818 /nfs/dbraw/zinc/65/78/18/455657818.db2.gz DDBVYIOECOXSGF-UXHICEINSA-N 2 1 345.531 3.442 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2OC)[C@@H](C)C1 ZINC000248025876 455671744 /nfs/dbraw/zinc/67/17/44/455671744.db2.gz PANYCWBUDIPUEX-LNLFQRSKSA-N 2 1 334.504 3.483 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2OC)[C@@H](C)C1 ZINC000248025876 455671752 /nfs/dbraw/zinc/67/17/52/455671752.db2.gz PANYCWBUDIPUEX-LNLFQRSKSA-N 2 1 334.504 3.483 20 0 EGADMP C[C@H]1C[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000271536375 455676299 /nfs/dbraw/zinc/67/62/99/455676299.db2.gz LCIKLQXBSABCCN-WMZOPIPTSA-N 2 1 334.479 3.237 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CCc2ccc(Cl)cc2)CC1 ZINC000192740741 455682928 /nfs/dbraw/zinc/68/29/28/455682928.db2.gz XDGMTYFYBKYLPQ-UHFFFAOYSA-N 2 1 337.939 3.230 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000271555453 455683869 /nfs/dbraw/zinc/68/38/69/455683869.db2.gz WPVYSOOVAGCJFN-IJEWVQPXSA-N 2 1 330.501 3.066 20 0 EGADMP CSc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1F ZINC000248146142 455687930 /nfs/dbraw/zinc/68/79/30/455687930.db2.gz QFJPXBOISKYSJL-ZBFHGGJFSA-N 2 1 340.508 3.435 20 0 EGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000248168618 455692887 /nfs/dbraw/zinc/69/28/87/455692887.db2.gz UGWUOKRCPXCSPL-MJGOQNOKSA-N 2 1 334.504 3.361 20 0 EGADMP CSc1cccc(NC(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248179715 455695962 /nfs/dbraw/zinc/69/59/62/455695962.db2.gz WESYGGOQZNJSMR-MPGHIAIKSA-N 2 1 347.528 3.152 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2ccccc2n1 ZINC000268884635 455718589 /nfs/dbraw/zinc/71/85/89/455718589.db2.gz IGVOAXAKVJRISS-FUHWJXTLSA-N 2 1 327.472 3.122 20 0 EGADMP CCOc1ccccc1NC(=O)CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000268921654 455731403 /nfs/dbraw/zinc/73/14/03/455731403.db2.gz SWFNNJSWGNONLB-UHFFFAOYSA-N 2 1 347.503 3.219 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)OC(C)C ZINC000186377481 455755649 /nfs/dbraw/zinc/75/56/49/455755649.db2.gz JTMRTZNPUURZEP-QKLQHJQFSA-N 2 1 332.488 3.378 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)OC(C)C ZINC000186377481 455755654 /nfs/dbraw/zinc/75/56/54/455755654.db2.gz JTMRTZNPUURZEP-QKLQHJQFSA-N 2 1 332.488 3.378 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000269024952 455766743 /nfs/dbraw/zinc/76/67/43/455766743.db2.gz REBKNTLXHLPZRR-REHHDOPLSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269024952 455766748 /nfs/dbraw/zinc/76/67/48/455766748.db2.gz REBKNTLXHLPZRR-REHHDOPLSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269024952 455766752 /nfs/dbraw/zinc/76/67/52/455766752.db2.gz REBKNTLXHLPZRR-REHHDOPLSA-N 2 1 327.516 3.112 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000269070265 455782324 /nfs/dbraw/zinc/78/23/24/455782324.db2.gz MPZIESRRICTKLA-WVFSVQOHSA-N 2 1 333.435 3.490 20 0 EGADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000194018505 455792263 /nfs/dbraw/zinc/79/22/63/455792263.db2.gz BKDSTCHPAKNSSV-BZSNNMDCSA-N 2 1 345.531 3.311 20 0 EGADMP COc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c(Br)c1 ZINC000271872508 455794460 /nfs/dbraw/zinc/79/44/60/455794460.db2.gz NCMQRKDBHPORDP-LBPRGKRZSA-N 2 1 339.277 3.370 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000269132832 455796098 /nfs/dbraw/zinc/79/60/98/455796098.db2.gz MQBAMVLMEVNKRK-FQEVSTJZSA-N 2 1 337.467 3.399 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000271878941 455796494 /nfs/dbraw/zinc/79/64/94/455796494.db2.gz OWQSASUMYNEJOP-INIZCTEOSA-N 2 1 326.362 3.424 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cncc(Br)c2)C1 ZINC000186590830 455801320 /nfs/dbraw/zinc/80/13/20/455801320.db2.gz RSSVTFPADOZPHU-AWEZNQCLSA-N 2 1 340.309 3.446 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C(C)(C)n2cncn2)c1 ZINC000285386490 455835014 /nfs/dbraw/zinc/83/50/14/455835014.db2.gz WPBVHGRHIGQMFY-MRXNPFEDSA-N 2 1 329.492 3.032 20 0 EGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000272088887 455843775 /nfs/dbraw/zinc/84/37/75/455843775.db2.gz CULVBIPCMOHOGZ-UHFFFAOYSA-N 2 1 330.472 3.358 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C)c1OC ZINC000285604275 455880755 /nfs/dbraw/zinc/88/07/55/455880755.db2.gz JWQQSJCEMBCMMU-ZBFHGGJFSA-N 2 1 332.488 3.017 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000285705776 455900586 /nfs/dbraw/zinc/90/05/86/455900586.db2.gz PHGURUUZJPXIRP-HOTGVXAUSA-N 2 1 345.487 3.323 20 0 EGADMP C[NH+](C)C1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000272305485 455908151 /nfs/dbraw/zinc/90/81/51/455908151.db2.gz DXOHHQXCESDGNZ-UHFFFAOYSA-N 2 1 344.503 3.229 20 0 EGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000195055446 455917187 /nfs/dbraw/zinc/91/71/87/455917187.db2.gz FFUYRVXDCBMXFD-IBGZPJMESA-N 2 1 341.503 3.242 20 0 EGADMP C[C@H](NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272385153 455933925 /nfs/dbraw/zinc/93/39/25/455933925.db2.gz WYYJGJMCYBIQGY-GHTZIAJQSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272385153 455933929 /nfs/dbraw/zinc/93/39/29/455933929.db2.gz WYYJGJMCYBIQGY-GHTZIAJQSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272385153 455933933 /nfs/dbraw/zinc/93/39/33/455933933.db2.gz WYYJGJMCYBIQGY-GHTZIAJQSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000187756422 455948532 /nfs/dbraw/zinc/94/85/32/455948532.db2.gz FDDVVAIZSRKZII-HHARLNAUSA-N 2 1 339.524 3.093 20 0 EGADMP C[NH2+][C@H](C)Cc1noc([C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000261797980 455949916 /nfs/dbraw/zinc/94/99/16/455949916.db2.gz OYSJNPAPLYGJDF-HZPDHXFCSA-N 2 1 342.487 3.236 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261844322 455958390 /nfs/dbraw/zinc/95/83/90/455958390.db2.gz ZAKNGGAYAXCIHU-KRWDZBQOSA-N 2 1 335.879 3.051 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000195466256 455964447 /nfs/dbraw/zinc/96/44/47/455964447.db2.gz LTIAWZOKDSRLMR-KURKYZTESA-N 2 1 333.495 3.377 20 0 EGADMP CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000262022041 455986031 /nfs/dbraw/zinc/98/60/31/455986031.db2.gz WGTJXDKTYIMMQF-DFQSSKMNSA-N 2 1 336.483 3.409 20 0 EGADMP Cc1noc(C)c1CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272559492 455994000 /nfs/dbraw/zinc/99/40/00/455994000.db2.gz UGFKTQUEBDTLSS-KXBFYZLASA-N 2 1 327.472 3.334 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000188110333 455999714 /nfs/dbraw/zinc/99/97/14/455999714.db2.gz LSUNMEBIRRUANY-MJGOQNOKSA-N 2 1 346.515 3.276 20 0 EGADMP COC(=O)[C@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000188110333 455999715 /nfs/dbraw/zinc/99/97/15/455999715.db2.gz LSUNMEBIRRUANY-MJGOQNOKSA-N 2 1 346.515 3.276 20 0 EGADMP COC(=O)[C@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000188110333 455999722 /nfs/dbraw/zinc/99/97/22/455999722.db2.gz LSUNMEBIRRUANY-MJGOQNOKSA-N 2 1 346.515 3.276 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)CCC2)c1 ZINC000262173102 456007106 /nfs/dbraw/zinc/00/71/06/456007106.db2.gz VKWCLSDSYHEVSD-DFQSSKMNSA-N 2 1 344.499 3.051 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000270663974 456009556 /nfs/dbraw/zinc/00/95/56/456009556.db2.gz PJTNTURPVXKEIV-SFHVURJKSA-N 2 1 341.480 3.489 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000270663974 456009559 /nfs/dbraw/zinc/00/95/59/456009559.db2.gz PJTNTURPVXKEIV-SFHVURJKSA-N 2 1 341.480 3.489 20 0 EGADMP Fc1cc(Cl)ccc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000623756862 460707082 /nfs/dbraw/zinc/70/70/82/460707082.db2.gz IFCOJHQICUSHHH-OWCLPIDISA-N 2 1 337.870 3.274 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000286299349 456019157 /nfs/dbraw/zinc/01/91/57/456019157.db2.gz WOZLGXGQHYGNLS-BURNTYAHSA-N 2 1 328.500 3.303 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000286308044 456020189 /nfs/dbraw/zinc/02/01/89/456020189.db2.gz XALTULDYYHDXCV-DOTOQJQBSA-N 2 1 334.504 3.265 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000262303063 456022752 /nfs/dbraw/zinc/02/27/52/456022752.db2.gz QUFCQZJSJOAQOL-NJAFHUGGSA-N 2 1 329.488 3.375 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000262304135 456023056 /nfs/dbraw/zinc/02/30/56/456023056.db2.gz QYWNGIRARDUGMZ-LSTHTHJFSA-N 2 1 343.515 3.052 20 0 EGADMP Cc1ccc([C@H]([NH3+])C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000262614821 456046594 /nfs/dbraw/zinc/04/65/94/456046594.db2.gz CMJBEDDAZUCVME-PXNSSMCTSA-N 2 1 339.483 3.022 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@H]2C)c1 ZINC000280811313 456056533 /nfs/dbraw/zinc/05/65/33/456056533.db2.gz IBMARAWFSMOIAG-AYOQOUSVSA-N 2 1 332.488 3.206 20 0 EGADMP C[C@H]([NH2+]CCOc1ncccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272810959 456077395 /nfs/dbraw/zinc/07/73/95/456077395.db2.gz NKKNEMPTJJWKDS-WMZOPIPTSA-N 2 1 343.446 3.100 20 0 EGADMP CCNC(=O)C(C)(C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000280990198 456103599 /nfs/dbraw/zinc/10/35/99/456103599.db2.gz LWAQJWRBCPRVIG-UHFFFAOYSA-N 2 1 345.531 3.182 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)C2=CC[NH+](C)CC2)cc1)C(C)C ZINC000272961773 456125949 /nfs/dbraw/zinc/12/59/49/456125949.db2.gz NPSZFEDSKXSTDK-QGZVFWFLSA-N 2 1 343.515 3.297 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1)C(C)C ZINC000272961773 456125956 /nfs/dbraw/zinc/12/59/56/456125956.db2.gz NPSZFEDSKXSTDK-QGZVFWFLSA-N 2 1 343.515 3.297 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1)C(C)C ZINC000272961773 456125962 /nfs/dbraw/zinc/12/59/62/456125962.db2.gz NPSZFEDSKXSTDK-QGZVFWFLSA-N 2 1 343.515 3.297 20 0 EGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)c2C1 ZINC000236721748 456174423 /nfs/dbraw/zinc/17/44/23/456174423.db2.gz DVTMFZXVSPAZPD-GOSISDBHSA-N 2 1 341.499 3.377 20 0 EGADMP CCOc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCC(F)(F)F ZINC000263720330 456202303 /nfs/dbraw/zinc/20/23/03/456202303.db2.gz WDVROKLXPGLAON-UHFFFAOYSA-N 2 1 334.382 3.068 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189040458 456208083 /nfs/dbraw/zinc/20/80/83/456208083.db2.gz RCTPGIVXAOEDOJ-FCHUYYIVSA-N 2 1 343.559 3.405 20 0 EGADMP CCCC[N@H+](CC)Cc1cccc(CNC(=O)Cn2cc[nH+]c2C)c1 ZINC000297390733 456208280 /nfs/dbraw/zinc/20/82/80/456208280.db2.gz KKLJUKHEQNKITH-UHFFFAOYSA-N 2 1 342.487 3.130 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)Cn2cc[nH+]c2C)c1 ZINC000297390733 456208287 /nfs/dbraw/zinc/20/82/87/456208287.db2.gz KKLJUKHEQNKITH-UHFFFAOYSA-N 2 1 342.487 3.130 20 0 EGADMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000236972262 456211726 /nfs/dbraw/zinc/21/17/26/456211726.db2.gz FZZJNUHSKKGQKT-OAQYLSRUSA-N 2 1 329.532 3.363 20 0 EGADMP Cn1cncc1CC[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000290137416 456249859 /nfs/dbraw/zinc/24/98/59/456249859.db2.gz VMUCFXXIDPNPER-UHFFFAOYSA-N 2 1 338.430 3.242 20 0 EGADMP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1nc(C(C)(C)C)no1 ZINC000333877053 456270533 /nfs/dbraw/zinc/27/05/33/456270533.db2.gz QRJAAGAKQWQMDR-CYBMUJFWSA-N 2 1 329.448 3.082 20 0 EGADMP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc2c(c1)OCO2 ZINC000333899611 456272958 /nfs/dbraw/zinc/27/29/58/456272958.db2.gz ZOGWCDGLDYMYSN-FGSOGITGSA-N 2 1 328.456 3.220 20 0 EGADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCC[NH+](CC2CCC2)CC1 ZINC000347660778 456288407 /nfs/dbraw/zinc/28/84/07/456288407.db2.gz YGNXQUDTBCFKIY-FQEVSTJZSA-N 2 1 347.547 3.118 20 0 EGADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000347660778 456288411 /nfs/dbraw/zinc/28/84/11/456288411.db2.gz YGNXQUDTBCFKIY-FQEVSTJZSA-N 2 1 347.547 3.118 20 0 EGADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000347660778 456288419 /nfs/dbraw/zinc/28/84/19/456288419.db2.gz YGNXQUDTBCFKIY-FQEVSTJZSA-N 2 1 347.547 3.118 20 0 EGADMP C[N@H+](CCCO)C1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000275697054 456289271 /nfs/dbraw/zinc/28/92/71/456289271.db2.gz JWVWSFDJZWLDCB-UHFFFAOYSA-N 2 1 334.504 3.014 20 0 EGADMP C[N@@H+](CCCO)C1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000275697054 456289273 /nfs/dbraw/zinc/28/92/73/456289273.db2.gz JWVWSFDJZWLDCB-UHFFFAOYSA-N 2 1 334.504 3.014 20 0 EGADMP CC(C)[C@H](CNCc1ncc(C[NH+](C)C)s1)[NH+]1CCC(C)CC1 ZINC000352777883 456297758 /nfs/dbraw/zinc/29/77/58/456297758.db2.gz CZUXRKSPXFCDTP-KRWDZBQOSA-N 2 1 338.565 3.051 20 0 EGADMP CCc1nc(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc(C)[nH+]1 ZINC000342913213 456309774 /nfs/dbraw/zinc/30/97/74/456309774.db2.gz SVWQYJJTYYMUGB-UHFFFAOYSA-N 2 1 339.487 3.485 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CCn2cncn2)c2ccc(C)cc2)C1 ZINC000275815850 456321379 /nfs/dbraw/zinc/32/13/79/456321379.db2.gz FQOGYKSILQMGAR-QUCCMNQESA-N 2 1 341.503 3.039 20 0 EGADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000297967940 456334387 /nfs/dbraw/zinc/33/43/87/456334387.db2.gz ZRABLEAYVXMPAK-MJGOQNOKSA-N 2 1 346.544 3.471 20 0 EGADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000297967940 456334391 /nfs/dbraw/zinc/33/43/91/456334391.db2.gz ZRABLEAYVXMPAK-MJGOQNOKSA-N 2 1 346.544 3.471 20 0 EGADMP Cn1cncc1CC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000297997068 456339916 /nfs/dbraw/zinc/33/99/16/456339916.db2.gz ZGHVXJJRXCRZSX-ICSRJNTNSA-N 2 1 327.472 3.331 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000275904754 456346020 /nfs/dbraw/zinc/34/60/20/456346020.db2.gz SUHQZEUGWTWVCS-JTQLQIEISA-N 2 1 326.213 3.444 20 0 EGADMP CCc1cc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000302507668 456350618 /nfs/dbraw/zinc/35/06/18/456350618.db2.gz RFXBDOAUQGPXPO-HNNXBMFYSA-N 2 1 327.472 3.079 20 0 EGADMP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000352847556 456360441 /nfs/dbraw/zinc/36/04/41/456360441.db2.gz VCFVOFPCRMPBTJ-UHFFFAOYSA-N 2 1 328.287 3.411 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000337546477 456370849 /nfs/dbraw/zinc/37/08/49/456370849.db2.gz OPNYZMYBGVDVAQ-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000337546477 456370853 /nfs/dbraw/zinc/37/08/53/456370853.db2.gz OPNYZMYBGVDVAQ-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@@H]1CN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+](C2CCC2)C1 ZINC000298144460 456374277 /nfs/dbraw/zinc/37/42/77/456374277.db2.gz QZXXGPCDMVDYOE-GHTZIAJQSA-N 2 1 327.516 3.067 20 0 EGADMP C[C@@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+](C2CCC2)C1 ZINC000298144460 456374280 /nfs/dbraw/zinc/37/42/80/456374280.db2.gz QZXXGPCDMVDYOE-GHTZIAJQSA-N 2 1 327.516 3.067 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000340350024 456406264 /nfs/dbraw/zinc/40/62/64/456406264.db2.gz KUYSLCWUGSEWKG-VQTJNVASSA-N 2 1 328.500 3.456 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cc(N2CCCC2)ncn1 ZINC000302862135 456419237 /nfs/dbraw/zinc/41/92/37/456419237.db2.gz VXAVOPLTMJSMQZ-FUHWJXTLSA-N 2 1 337.471 3.009 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1SC ZINC000298321220 456424208 /nfs/dbraw/zinc/42/42/08/456424208.db2.gz IKILXEKNEPWPLI-QRVBRYPASA-N 2 1 334.529 3.150 20 0 EGADMP C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348009431 456436658 /nfs/dbraw/zinc/43/66/58/456436658.db2.gz OJNTZMIFMJOKSB-NBHGPNQESA-N 2 1 342.458 3.359 20 0 EGADMP C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348009431 456436664 /nfs/dbraw/zinc/43/66/64/456436664.db2.gz OJNTZMIFMJOKSB-NBHGPNQESA-N 2 1 342.458 3.359 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC000353026437 456447671 /nfs/dbraw/zinc/44/76/71/456447671.db2.gz KSQMTFRYKHTDCP-RBUKOAKNSA-N 2 1 340.552 3.262 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000290928101 456470126 /nfs/dbraw/zinc/47/01/26/456470126.db2.gz ROKBKELLBLCFCP-MRXNPFEDSA-N 2 1 349.482 3.480 20 0 EGADMP CCCn1ccnc1CCC[N@@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000298531717 456481354 /nfs/dbraw/zinc/48/13/54/456481354.db2.gz MGRNRSSBCAYLSA-UHFFFAOYSA-N 2 1 346.450 3.325 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000298531717 456481361 /nfs/dbraw/zinc/48/13/61/456481361.db2.gz MGRNRSSBCAYLSA-UHFFFAOYSA-N 2 1 346.450 3.325 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000298531717 456481370 /nfs/dbraw/zinc/48/13/70/456481370.db2.gz MGRNRSSBCAYLSA-UHFFFAOYSA-N 2 1 346.450 3.325 20 0 EGADMP CCCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000340490689 456489461 /nfs/dbraw/zinc/48/94/61/456489461.db2.gz OSYODIIBJOIFOG-ROUUACIJSA-N 2 1 345.531 3.455 20 0 EGADMP CCCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000340494571 456491571 /nfs/dbraw/zinc/49/15/71/456491571.db2.gz FGDHCKPSUFWKLR-QZTJIDSGSA-N 2 1 345.531 3.313 20 0 EGADMP CC(C)CCn1cccc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000305128146 456528914 /nfs/dbraw/zinc/52/89/14/456528914.db2.gz JAKALDYKTRIPTB-LEWJYISDSA-N 2 1 347.547 3.392 20 0 EGADMP CCCC[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353201691 456555421 /nfs/dbraw/zinc/55/54/21/456555421.db2.gz HRYLXGXCKHACIS-FPOVZHCZSA-N 2 1 343.515 3.019 20 0 EGADMP CSC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC[NH+](C)CC1 ZINC000353204851 456559036 /nfs/dbraw/zinc/55/90/36/456559036.db2.gz DJHBPRWROHNBJB-UHFFFAOYSA-N 3 1 347.572 3.068 20 0 EGADMP COCc1ccccc1/C=C(\C)C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000353208479 456560166 /nfs/dbraw/zinc/56/01/66/456560166.db2.gz XCQYSOMTNDOJTB-ZSFFSCSXSA-N 2 1 346.515 3.327 20 0 EGADMP C[C@H]([NH2+]CCCOCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310474103 456583332 /nfs/dbraw/zinc/58/33/32/456583332.db2.gz CEPJDEVYIBUTHU-DOTOQJQBSA-N 2 1 344.421 3.456 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn(C)nc1C(F)F ZINC000348300752 456606730 /nfs/dbraw/zinc/60/67/30/456606730.db2.gz CKKONSZQVULJJD-ZFWWWQNUSA-N 2 1 328.451 3.348 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)s2)cn1 ZINC000282744838 456611728 /nfs/dbraw/zinc/61/17/28/456611728.db2.gz GFRAOYYPOMVJBG-YOEHRIQHSA-N 2 1 330.501 3.065 20 0 EGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)s2)cn1 ZINC000282744838 456611735 /nfs/dbraw/zinc/61/17/35/456611735.db2.gz GFRAOYYPOMVJBG-YOEHRIQHSA-N 2 1 330.501 3.065 20 0 EGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000282879082 456654153 /nfs/dbraw/zinc/65/41/53/456654153.db2.gz VPPLVPKJXAFGFZ-HBMCJLEFSA-N 2 1 346.515 3.072 20 0 EGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000282879082 456654162 /nfs/dbraw/zinc/65/41/62/456654162.db2.gz VPPLVPKJXAFGFZ-HBMCJLEFSA-N 2 1 346.515 3.072 20 0 EGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000282878540 456654507 /nfs/dbraw/zinc/65/45/07/456654507.db2.gz WLAOYGCCEYNNTF-UHFFFAOYSA-N 2 1 332.517 3.453 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000282878540 456654513 /nfs/dbraw/zinc/65/45/13/456654513.db2.gz WLAOYGCCEYNNTF-UHFFFAOYSA-N 2 1 332.517 3.453 20 0 EGADMP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000323770608 456655559 /nfs/dbraw/zinc/65/55/59/456655559.db2.gz ZIHFTTNWWURHMJ-FQEVSTJZSA-N 2 1 343.515 3.019 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000282978724 456681222 /nfs/dbraw/zinc/68/12/22/456681222.db2.gz DPLHNKAOTRSVAO-WOJBJXKFSA-N 2 1 342.483 3.385 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000353490435 456710938 /nfs/dbraw/zinc/71/09/38/456710938.db2.gz QQECYHOEHPRFEO-QAPCUYQASA-N 2 1 332.467 3.359 20 0 EGADMP Cc1ccc(CN(C)CC(O)C[N@@H+](C)Cc2ccc(C)cc2)cc1 ZINC000353501633 456718957 /nfs/dbraw/zinc/71/89/57/456718957.db2.gz NALWMUQZTMQUBE-UHFFFAOYSA-N 2 1 326.484 3.228 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000353516562 456729697 /nfs/dbraw/zinc/72/96/97/456729697.db2.gz BIEUGLPFJADJJP-LAUBAEHRSA-N 2 1 343.515 3.067 20 0 EGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1O ZINC000277279414 456757956 /nfs/dbraw/zinc/75/79/56/456757956.db2.gz SKLJJXAGDPFGCK-AEFFLSMTSA-N 2 1 334.504 3.432 20 0 EGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CCCO[C@@H]3CCCCO3)C1)CCCC2 ZINC000338325409 456773338 /nfs/dbraw/zinc/77/33/38/456773338.db2.gz WKAKEDBDKRZUNA-FXAWDEMLSA-N 2 1 347.503 3.250 20 0 EGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CCCO[C@@H]3CCCCO3)C1)CCCC2 ZINC000338325409 456773344 /nfs/dbraw/zinc/77/33/44/456773344.db2.gz WKAKEDBDKRZUNA-FXAWDEMLSA-N 2 1 347.503 3.250 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338434585 456817360 /nfs/dbraw/zinc/81/73/60/456817360.db2.gz JDAMESZXMZHONQ-QGZVFWFLSA-N 2 1 326.488 3.217 20 0 EGADMP C[NH+](C)[C@@H](CNC1CC[NH+](Cc2ccccn2)CC1)C1CCCCC1 ZINC000341470186 456867846 /nfs/dbraw/zinc/86/78/46/456867846.db2.gz WOYPVQZMSHGBKH-NRFANRHFSA-N 2 1 344.547 3.146 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OCCCOC)c2)C[C@H]1C ZINC000353768791 456899136 /nfs/dbraw/zinc/89/91/36/456899136.db2.gz PQMLZGXPRDPCBV-MJGOQNOKSA-N 2 1 334.504 3.407 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OCCCOC)c2)C[C@H]1C ZINC000353768791 456899137 /nfs/dbraw/zinc/89/91/37/456899137.db2.gz PQMLZGXPRDPCBV-MJGOQNOKSA-N 2 1 334.504 3.407 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OCCCOC)c2)C[C@H]1C ZINC000353768791 456899139 /nfs/dbraw/zinc/89/91/39/456899139.db2.gz PQMLZGXPRDPCBV-MJGOQNOKSA-N 2 1 334.504 3.407 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OCCCOC)c2)C[C@H]1C ZINC000353768791 456899140 /nfs/dbraw/zinc/89/91/40/456899140.db2.gz PQMLZGXPRDPCBV-MJGOQNOKSA-N 2 1 334.504 3.407 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnc([C@H]4CCCO4)s3)C2)CC1 ZINC000349194235 456909749 /nfs/dbraw/zinc/90/97/49/456909749.db2.gz RRKHTGPNOAIDPI-NVXWUHKLSA-N 2 1 335.517 3.158 20 0 EGADMP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339066357 456924820 /nfs/dbraw/zinc/92/48/20/456924820.db2.gz AHWLEFBLCTYBLK-CABCVRRESA-N 2 1 328.378 3.344 20 0 EGADMP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C2CCC2)o1 ZINC000349522883 456981902 /nfs/dbraw/zinc/98/19/02/456981902.db2.gz VTWIZLUKZRZKIO-QWFCFKBJSA-N 2 1 332.488 3.397 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)CC(C)C ZINC000345679570 456987780 /nfs/dbraw/zinc/98/77/80/456987780.db2.gz CUMYWDZMICVKQY-UXHICEINSA-N 2 1 345.531 3.134 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)CC(C)C ZINC000345679570 456987782 /nfs/dbraw/zinc/98/77/82/456987782.db2.gz CUMYWDZMICVKQY-UXHICEINSA-N 2 1 345.531 3.134 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)N1CCC[NH+](CC2CCC2)CC1)c1ccccc1 ZINC000339199485 456988698 /nfs/dbraw/zinc/98/86/98/456988698.db2.gz QJWSGLTZSSBXEA-HXUWFJFHSA-N 2 1 343.515 3.014 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[NH+](CC2CCC2)CC1)c1ccccc1 ZINC000339199485 456988702 /nfs/dbraw/zinc/98/87/02/456988702.db2.gz QJWSGLTZSSBXEA-HXUWFJFHSA-N 2 1 343.515 3.014 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)c1ccccc1 ZINC000339199485 456988705 /nfs/dbraw/zinc/98/87/05/456988705.db2.gz QJWSGLTZSSBXEA-HXUWFJFHSA-N 2 1 343.515 3.014 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)c1ccccc1 ZINC000339199485 456988707 /nfs/dbraw/zinc/98/87/07/456988707.db2.gz QJWSGLTZSSBXEA-HXUWFJFHSA-N 2 1 343.515 3.014 20 0 EGADMP c1nn2ccccc2c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000356529877 457038967 /nfs/dbraw/zinc/03/89/67/457038967.db2.gz QEVABOVMPCGWGO-FPOVZHCZSA-N 2 1 346.478 3.288 20 0 EGADMP c1nn2ccccc2c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000356529877 457038971 /nfs/dbraw/zinc/03/89/71/457038971.db2.gz QEVABOVMPCGWGO-FPOVZHCZSA-N 2 1 346.478 3.288 20 0 EGADMP c1nn2ccccc2c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000356529877 457038977 /nfs/dbraw/zinc/03/89/77/457038977.db2.gz QEVABOVMPCGWGO-FPOVZHCZSA-N 2 1 346.478 3.288 20 0 EGADMP c1nn2ccccc2c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000356529877 457038985 /nfs/dbraw/zinc/03/89/85/457038985.db2.gz QEVABOVMPCGWGO-FPOVZHCZSA-N 2 1 346.478 3.288 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cn1 ZINC000354081181 457048801 /nfs/dbraw/zinc/04/88/01/457048801.db2.gz ZIDFQIIJIRKXIF-KXBFYZLASA-N 2 1 335.467 3.008 20 0 EGADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cn1 ZINC000354081179 457049218 /nfs/dbraw/zinc/04/92/18/457049218.db2.gz ZIDFQIIJIRKXIF-DNVCBOLYSA-N 2 1 335.467 3.008 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000354097927 457060920 /nfs/dbraw/zinc/06/09/20/457060920.db2.gz SZUXFHDGQJBMKZ-LJQANCHMSA-N 2 1 327.472 3.168 20 0 EGADMP c1ccc([C@H](CNc2cc[nH+]c3ccccc23)[NH+]2CCOCC2)cc1 ZINC000346595115 457066859 /nfs/dbraw/zinc/06/68/59/457066859.db2.gz RQYWWQIMBXASRP-NRFANRHFSA-N 2 1 333.435 3.142 20 0 EGADMP COc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000359461816 457085741 /nfs/dbraw/zinc/08/57/41/457085741.db2.gz UVAFQMOTSCMQJH-HDICACEKSA-N 2 1 338.451 3.022 20 0 EGADMP COc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000359461816 457085749 /nfs/dbraw/zinc/08/57/49/457085749.db2.gz UVAFQMOTSCMQJH-HDICACEKSA-N 2 1 338.451 3.022 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3ccc(OC(F)(F)F)cc3)C[C@H]21 ZINC000342140135 457131472 /nfs/dbraw/zinc/13/14/72/457131472.db2.gz NWXWWUDIVMZYQA-APHBMKBZSA-N 2 1 344.377 3.023 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@H]21 ZINC000342141408 457132975 /nfs/dbraw/zinc/13/29/75/457132975.db2.gz POYXPOHXZPTPPZ-IOMROCGXSA-N 2 1 337.467 3.220 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000354217360 457137449 /nfs/dbraw/zinc/13/74/49/457137449.db2.gz QQYFXHKDLBIXIQ-OAHLLOKOSA-N 2 1 338.517 3.139 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000354217360 457137452 /nfs/dbraw/zinc/13/74/52/457137452.db2.gz QQYFXHKDLBIXIQ-OAHLLOKOSA-N 2 1 338.517 3.139 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@H]1C ZINC000354219773 457138031 /nfs/dbraw/zinc/13/80/31/457138031.db2.gz DICVXNTWQPQUMK-QZTJIDSGSA-N 2 1 331.504 3.355 20 0 EGADMP CC(C)N(C)c1ccc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000359963866 457174331 /nfs/dbraw/zinc/17/43/31/457174331.db2.gz NZTKEOBWTTUJBM-HDICACEKSA-N 2 1 332.536 3.384 20 0 EGADMP CC(C)N(C)c1ccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000359963866 457174334 /nfs/dbraw/zinc/17/43/34/457174334.db2.gz NZTKEOBWTTUJBM-HDICACEKSA-N 2 1 332.536 3.384 20 0 EGADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000363020856 457199101 /nfs/dbraw/zinc/19/91/01/457199101.db2.gz WNZAGVNAZBOSRT-PMACEKPBSA-N 2 1 341.499 3.029 20 0 EGADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000363020857 457199560 /nfs/dbraw/zinc/19/95/60/457199560.db2.gz WNZAGVNAZBOSRT-UXHICEINSA-N 2 1 341.499 3.029 20 0 EGADMP C[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000356900711 457207630 /nfs/dbraw/zinc/20/76/30/457207630.db2.gz PCDFDUXGENMBGW-HUUCEWRRSA-N 2 1 335.458 3.113 20 0 EGADMP C[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000356900711 457207634 /nfs/dbraw/zinc/20/76/34/457207634.db2.gz PCDFDUXGENMBGW-HUUCEWRRSA-N 2 1 335.458 3.113 20 0 EGADMP CCSc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000339679318 457208665 /nfs/dbraw/zinc/20/86/65/457208665.db2.gz BJGPNOZDZRNRSW-WBVHZDCISA-N 2 1 349.544 3.037 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC000339690448 457215295 /nfs/dbraw/zinc/21/52/95/457215295.db2.gz DNBRTYVJGWGLPD-SCTDSRPQSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000339690448 457215304 /nfs/dbraw/zinc/21/53/04/457215304.db2.gz DNBRTYVJGWGLPD-SCTDSRPQSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000339690448 457215312 /nfs/dbraw/zinc/21/53/12/457215312.db2.gz DNBRTYVJGWGLPD-SCTDSRPQSA-N 2 1 345.531 3.162 20 0 EGADMP COC[C@@H](CC(C)C)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000360056103 457229560 /nfs/dbraw/zinc/22/95/60/457229560.db2.gz QKRZPHMIAJODOC-RTWAWAEBSA-N 2 1 347.547 3.016 20 0 EGADMP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000357021211 457280952 /nfs/dbraw/zinc/28/09/52/457280952.db2.gz YRYLRBUUZPXAIK-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC[C@@H]1CCCC[NH+]1C ZINC000357032373 457288686 /nfs/dbraw/zinc/28/86/86/457288686.db2.gz DPADCVWVZKIXER-FQEVSTJZSA-N 3 1 344.547 3.494 20 0 EGADMP C[NH+](CCC1CCN(c2cc[nH+]cc2)CC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000357032373 457288692 /nfs/dbraw/zinc/28/86/92/457288692.db2.gz DPADCVWVZKIXER-FQEVSTJZSA-N 3 1 344.547 3.494 20 0 EGADMP C[NH+](CCC1CCN(c2cc[nH+]cc2)CC1)CC[C@@H]1CCCC[N@H+]1C ZINC000357032373 457288698 /nfs/dbraw/zinc/28/86/98/457288698.db2.gz DPADCVWVZKIXER-FQEVSTJZSA-N 3 1 344.547 3.494 20 0 EGADMP CN1CCCC[C@H]1CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000357032373 457288702 /nfs/dbraw/zinc/28/87/02/457288702.db2.gz DPADCVWVZKIXER-FQEVSTJZSA-N 2 1 344.547 3.494 20 0 EGADMP CN1CCCC[C@H]1CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000357032373 457288709 /nfs/dbraw/zinc/28/87/09/457288709.db2.gz DPADCVWVZKIXER-FQEVSTJZSA-N 2 1 344.547 3.494 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)cs1 ZINC000357039890 457292528 /nfs/dbraw/zinc/29/25/28/457292528.db2.gz BCBBLUBBPVJWIL-SJORKVTESA-N 2 1 343.496 3.072 20 0 EGADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)cs1 ZINC000357039890 457292532 /nfs/dbraw/zinc/29/25/32/457292532.db2.gz BCBBLUBBPVJWIL-SJORKVTESA-N 2 1 343.496 3.072 20 0 EGADMP C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000357048215 457297604 /nfs/dbraw/zinc/29/76/04/457297604.db2.gz MPOLDEHHJLPWIP-HLNWXESRSA-N 2 1 343.515 3.201 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[NH+](C)C[C@H]2C)cc1 ZINC000352016126 457330270 /nfs/dbraw/zinc/33/02/70/457330270.db2.gz VGANKBSYSDJASY-IAGOWNOFSA-N 2 1 331.504 3.083 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000352016126 457330273 /nfs/dbraw/zinc/33/02/73/457330273.db2.gz VGANKBSYSDJASY-IAGOWNOFSA-N 2 1 331.504 3.083 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000352016126 457330277 /nfs/dbraw/zinc/33/02/77/457330277.db2.gz VGANKBSYSDJASY-IAGOWNOFSA-N 2 1 331.504 3.083 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(F)c2cccnc12 ZINC000355218655 457347957 /nfs/dbraw/zinc/34/79/57/457347957.db2.gz XZXYYFQEFKVYNV-LZQZEXGQSA-N 2 1 343.446 3.057 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(F)c2cccnc12 ZINC000355218655 457347960 /nfs/dbraw/zinc/34/79/60/457347960.db2.gz XZXYYFQEFKVYNV-LZQZEXGQSA-N 2 1 343.446 3.057 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000347320029 457351019 /nfs/dbraw/zinc/35/10/19/457351019.db2.gz PKPFAOUVXANCLD-XCDJFROHSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347320029 457351024 /nfs/dbraw/zinc/35/10/24/457351024.db2.gz PKPFAOUVXANCLD-XCDJFROHSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347320029 457351031 /nfs/dbraw/zinc/35/10/31/457351031.db2.gz PKPFAOUVXANCLD-XCDJFROHSA-N 2 1 327.516 3.112 20 0 EGADMP c1[nH]nc2cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc12 ZINC000355341855 457360676 /nfs/dbraw/zinc/36/06/76/457360676.db2.gz YKAFICKKHMYFGI-PMACEKPBSA-N 2 1 332.451 3.127 20 0 EGADMP c1ccc(COc2ccccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000363616867 457384078 /nfs/dbraw/zinc/38/40/78/457384078.db2.gz VODJOVWCTPSNJN-QUCCMNQESA-N 2 1 337.467 3.377 20 0 EGADMP c1ccc(COc2ccccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000363616867 457384084 /nfs/dbraw/zinc/38/40/84/457384084.db2.gz VODJOVWCTPSNJN-QUCCMNQESA-N 2 1 337.467 3.377 20 0 EGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000352488005 457409589 /nfs/dbraw/zinc/40/95/89/457409589.db2.gz LCSBOYCWSZICSG-IBGZPJMESA-N 2 1 325.456 3.364 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000385474100 457428572 /nfs/dbraw/zinc/42/85/72/457428572.db2.gz AUVHWJHGZXMHEX-CIAFKFPVSA-N 3 1 341.543 3.409 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000385474100 457428586 /nfs/dbraw/zinc/42/85/86/457428586.db2.gz AUVHWJHGZXMHEX-CIAFKFPVSA-N 2 1 341.543 3.409 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000385474100 457428596 /nfs/dbraw/zinc/42/85/96/457428596.db2.gz AUVHWJHGZXMHEX-CIAFKFPVSA-N 2 1 341.543 3.409 20 0 EGADMP COC(=O)C1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000385804549 457429275 /nfs/dbraw/zinc/42/92/75/457429275.db2.gz MKLKRKGJOLNOLW-HDYDNRTBSA-N 2 1 344.499 3.220 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C2CC[NH+](CC)CC2)cc1)C(C)C ZINC000357297943 457429692 /nfs/dbraw/zinc/42/96/92/457429692.db2.gz MQKFCPXYEBXCPF-UHFFFAOYSA-N 2 1 345.531 3.473 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)N1CCC(C)CC1 ZINC000360955557 457464391 /nfs/dbraw/zinc/46/43/91/457464391.db2.gz JKWMOWLNMQIARP-FHWLQOOXSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000374075575 457470030 /nfs/dbraw/zinc/47/00/30/457470030.db2.gz VIDCCLBRYRDPRF-GOSISDBHSA-N 2 1 343.515 3.438 20 0 EGADMP Cc1cc(Cl)ccc1C[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000352571628 457475964 /nfs/dbraw/zinc/47/59/64/457475964.db2.gz WYTAMCPFAPBOBJ-LJQANCHMSA-N 2 1 335.923 3.250 20 0 EGADMP Cc1cc(Cl)ccc1C[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000352571628 457475971 /nfs/dbraw/zinc/47/59/71/457475971.db2.gz WYTAMCPFAPBOBJ-LJQANCHMSA-N 2 1 335.923 3.250 20 0 EGADMP C[C@H](CCc1ccsc1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000360982279 457488081 /nfs/dbraw/zinc/48/80/81/457488081.db2.gz IAYAXWXTUDAJDF-YLJYHZDGSA-N 2 1 344.524 3.296 20 0 EGADMP C[C@H](CCc1ccsc1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000360982279 457488089 /nfs/dbraw/zinc/48/80/89/457488089.db2.gz IAYAXWXTUDAJDF-YLJYHZDGSA-N 2 1 344.524 3.296 20 0 EGADMP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000347543747 457497169 /nfs/dbraw/zinc/49/71/69/457497169.db2.gz YUQAJZKZUNSHGT-UHFFFAOYSA-N 2 1 341.499 3.018 20 0 EGADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000342756211 457502515 /nfs/dbraw/zinc/50/25/15/457502515.db2.gz SSPVPOQQMHZRPQ-LIRRHRJNSA-N 2 1 336.907 3.352 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000399107838 457506518 /nfs/dbraw/zinc/50/65/18/457506518.db2.gz YGCIOXSIEAYETO-ZACQAIPSSA-N 2 1 339.524 3.094 20 0 EGADMP CC1CC[NH+](CCCCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000370044713 457515150 /nfs/dbraw/zinc/51/51/50/457515150.db2.gz GYZPGZZJTNTBGA-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H](C)[C@H](C)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000347598006 457537627 /nfs/dbraw/zinc/53/76/27/457537627.db2.gz XFZASMBYMDGFDW-HKUYNNGSSA-N 2 1 345.531 3.054 20 0 EGADMP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000361114131 457590007 /nfs/dbraw/zinc/59/00/07/457590007.db2.gz QVZWFLHDYGITNW-UHFFFAOYSA-N 2 1 336.863 3.187 20 0 EGADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000361114131 457590010 /nfs/dbraw/zinc/59/00/10/457590010.db2.gz QVZWFLHDYGITNW-UHFFFAOYSA-N 2 1 336.863 3.187 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cnn(C)c1 ZINC000370329127 457620626 /nfs/dbraw/zinc/62/06/26/457620626.db2.gz ZLOJNWOHIJUJRU-BVPXEZJJSA-N 2 1 338.499 3.371 20 0 EGADMP COc1sc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000361279285 457676917 /nfs/dbraw/zinc/67/69/17/457676917.db2.gz WCDXQXZLAXFXGB-QWRGUYRKSA-N 2 1 345.306 3.236 20 0 EGADMP COc1sc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000361279285 457676921 /nfs/dbraw/zinc/67/69/21/457676921.db2.gz WCDXQXZLAXFXGB-QWRGUYRKSA-N 2 1 345.306 3.236 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(OCC2CC2)cc1 ZINC000364718298 457679891 /nfs/dbraw/zinc/67/98/91/457679891.db2.gz NTHKCIUYPJKJQT-NRSPTQNISA-N 2 1 344.499 3.159 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(OCC2CC2)cc1 ZINC000364718298 457679895 /nfs/dbraw/zinc/67/98/95/457679895.db2.gz NTHKCIUYPJKJQT-NRSPTQNISA-N 2 1 344.499 3.159 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)cc1 ZINC000370671429 457696960 /nfs/dbraw/zinc/69/69/60/457696960.db2.gz RJALRIALHMEXEL-AUUYWEPGSA-N 2 1 347.466 3.487 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)cc1 ZINC000370671430 457697356 /nfs/dbraw/zinc/69/73/56/457697356.db2.gz RJALRIALHMEXEL-IFXJQAMLSA-N 2 1 347.466 3.487 20 0 EGADMP Cc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1C ZINC000361346316 457701159 /nfs/dbraw/zinc/70/11/59/457701159.db2.gz NYJBSXMJRHJWRQ-GOSISDBHSA-N 2 1 345.531 3.205 20 0 EGADMP COC[C@@H](CC(C)C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000361354122 457704072 /nfs/dbraw/zinc/70/40/72/457704072.db2.gz WFVJESNTCUOTNH-GOSISDBHSA-N 2 1 337.508 3.154 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357852285 457712433 /nfs/dbraw/zinc/71/24/33/457712433.db2.gz NSNDEYUVUZNZJU-HNNXBMFYSA-N 2 1 347.503 3.426 20 0 EGADMP CC(C)(C[NH2+][C@H](Cc1ccccn1)c1cccnc1)C[NH+]1CCCC1 ZINC000357857620 457714705 /nfs/dbraw/zinc/71/47/05/457714705.db2.gz VBGJETJVLRMFAQ-HXUWFJFHSA-N 2 1 338.499 3.472 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000358059120 457760189 /nfs/dbraw/zinc/76/01/89/457760189.db2.gz HYHCJZNKBGWYIP-CJNGLKHVSA-N 2 1 338.879 3.321 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000358059120 457760194 /nfs/dbraw/zinc/76/01/94/457760194.db2.gz HYHCJZNKBGWYIP-CJNGLKHVSA-N 2 1 338.879 3.321 20 0 EGADMP COC(=O)C1CCC([NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000426032550 457762144 /nfs/dbraw/zinc/76/21/44/457762144.db2.gz BLAIABVMBSRARP-CTWPCTMYSA-N 2 1 336.520 3.353 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)Cn1ccnc1 ZINC000358079988 457772457 /nfs/dbraw/zinc/77/24/57/457772457.db2.gz FDDJVDROZKPTNW-HBFSDRIKSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)Cn1ccnc1 ZINC000358079988 457772463 /nfs/dbraw/zinc/77/24/63/457772463.db2.gz FDDJVDROZKPTNW-HBFSDRIKSA-N 2 1 326.488 3.162 20 0 EGADMP COC[C@H]1CCC[NH+](CCC(C)CC[N@@H+]2CCC[C@H](COC)C2)C1 ZINC000411261605 457844056 /nfs/dbraw/zinc/84/40/56/457844056.db2.gz ATGSNNRTVMMVMB-PMACEKPBSA-N 2 1 340.552 3.120 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000371295043 457853617 /nfs/dbraw/zinc/85/36/17/457853617.db2.gz OIWIUACVOGXNFK-IXDOHACOSA-N 2 1 342.405 3.389 20 0 EGADMP C[N@H+](CCCCC(F)(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375280040 457862001 /nfs/dbraw/zinc/86/20/01/457862001.db2.gz QVBQTMLGEDCKPI-QGZVFWFLSA-N 2 1 344.421 3.288 20 0 EGADMP C[N@@H+](CCCCC(F)(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375280040 457862008 /nfs/dbraw/zinc/86/20/08/457862008.db2.gz QVBQTMLGEDCKPI-QGZVFWFLSA-N 2 1 344.421 3.288 20 0 EGADMP C[NH+](CCCCC(F)(F)F)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000375280040 457862015 /nfs/dbraw/zinc/86/20/15/457862015.db2.gz QVBQTMLGEDCKPI-QGZVFWFLSA-N 2 1 344.421 3.288 20 0 EGADMP C[NH+](CCCCC(F)(F)F)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000375280040 457862019 /nfs/dbraw/zinc/86/20/19/457862019.db2.gz QVBQTMLGEDCKPI-QGZVFWFLSA-N 2 1 344.421 3.288 20 0 EGADMP CCCNC(=O)CCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000411350065 457862535 /nfs/dbraw/zinc/86/25/35/457862535.db2.gz RIKLWGDAENFDNT-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1(CCO)CCOCC1 ZINC000411501292 457903663 /nfs/dbraw/zinc/90/36/63/457903663.db2.gz SRPLCBFACSNFOR-UHFFFAOYSA-N 2 1 346.515 3.036 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1OC ZINC000358290981 457913310 /nfs/dbraw/zinc/91/33/10/457913310.db2.gz FLQRBQIQFBNELP-FHWLQOOXSA-N 2 1 332.488 3.114 20 0 EGADMP COc1ccc(C[N@@H+](CCC[NH+]2CCCCC2)[C@H](CO)C(C)C)cc1 ZINC000444614553 457918294 /nfs/dbraw/zinc/91/82/94/457918294.db2.gz ZAVLRWRXHKNWGO-OAQYLSRUSA-N 2 1 348.531 3.390 20 0 EGADMP Cc1ccsc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361888054 457931909 /nfs/dbraw/zinc/93/19/09/457931909.db2.gz HMAGZWOBRHAWHS-LPHOPBHVSA-N 2 1 330.497 3.344 20 0 EGADMP Cc1ccsc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361888054 457931911 /nfs/dbraw/zinc/93/19/11/457931911.db2.gz HMAGZWOBRHAWHS-LPHOPBHVSA-N 2 1 330.497 3.344 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC1 ZINC000427161096 457951332 /nfs/dbraw/zinc/95/13/32/457951332.db2.gz DXBVILNJRCLLMH-PXNSSMCTSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000427161096 457951336 /nfs/dbraw/zinc/95/13/36/457951336.db2.gz DXBVILNJRCLLMH-PXNSSMCTSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000427161096 457951345 /nfs/dbraw/zinc/95/13/45/457951345.db2.gz DXBVILNJRCLLMH-PXNSSMCTSA-N 2 1 347.547 3.116 20 0 EGADMP CCCCNC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000411691042 457951720 /nfs/dbraw/zinc/95/17/20/457951720.db2.gz MXFMMXXTEIUHJX-IBGZPJMESA-N 2 1 345.531 3.183 20 0 EGADMP CCCCNC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000411691042 457951725 /nfs/dbraw/zinc/95/17/25/457951725.db2.gz MXFMMXXTEIUHJX-IBGZPJMESA-N 2 1 345.531 3.183 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc1)C(C)C ZINC000371510863 457969721 /nfs/dbraw/zinc/96/97/21/457969721.db2.gz OLWBSQRCTBDKDX-WOJBJXKFSA-N 2 1 343.515 3.274 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1)C(C)C ZINC000371510863 457969726 /nfs/dbraw/zinc/96/97/26/457969726.db2.gz OLWBSQRCTBDKDX-WOJBJXKFSA-N 2 1 343.515 3.274 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1)C(C)C ZINC000371510863 457969731 /nfs/dbraw/zinc/96/97/31/457969731.db2.gz OLWBSQRCTBDKDX-WOJBJXKFSA-N 2 1 343.515 3.274 20 0 EGADMP Cc1nn(C(C)C)cc1CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000375638405 458000335 /nfs/dbraw/zinc/00/03/35/458000335.db2.gz GHDOJJCVCCVCNV-LJQANCHMSA-N 2 1 326.488 3.384 20 0 EGADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375638405 458000340 /nfs/dbraw/zinc/00/03/40/458000340.db2.gz GHDOJJCVCCVCNV-LJQANCHMSA-N 2 1 326.488 3.384 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411913493 458010274 /nfs/dbraw/zinc/01/02/74/458010274.db2.gz YXCJZJFBPZZEDE-QGZVFWFLSA-N 2 1 331.504 3.133 20 0 EGADMP O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000428047779 458072455 /nfs/dbraw/zinc/07/24/55/458072455.db2.gz ZUBHUUFPLWDLBB-AZUAARDMSA-N 2 1 349.478 3.366 20 0 EGADMP O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000428047779 458072461 /nfs/dbraw/zinc/07/24/61/458072461.db2.gz ZUBHUUFPLWDLBB-AZUAARDMSA-N 2 1 349.478 3.366 20 0 EGADMP C[C@@H]1C[C@H](NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000369184134 458115964 /nfs/dbraw/zinc/11/59/64/458115964.db2.gz PKJKTDZGXOHZSR-LMNJBCLMSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H](NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000369184134 458115968 /nfs/dbraw/zinc/11/59/68/458115968.db2.gz PKJKTDZGXOHZSR-LMNJBCLMSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H](NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000369184134 458115972 /nfs/dbraw/zinc/11/59/72/458115972.db2.gz PKJKTDZGXOHZSR-LMNJBCLMSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000369184134 458115976 /nfs/dbraw/zinc/11/59/76/458115976.db2.gz PKJKTDZGXOHZSR-LMNJBCLMSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000369184134 458115982 /nfs/dbraw/zinc/11/59/82/458115982.db2.gz PKJKTDZGXOHZSR-LMNJBCLMSA-N 2 1 327.516 3.113 20 0 EGADMP CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000428314093 458119645 /nfs/dbraw/zinc/11/96/45/458119645.db2.gz ZDDSASUXFCYUFD-INIZCTEOSA-N 2 1 325.456 3.255 20 0 EGADMP CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000428314093 458119647 /nfs/dbraw/zinc/11/96/47/458119647.db2.gz ZDDSASUXFCYUFD-INIZCTEOSA-N 2 1 325.456 3.255 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000435376146 458125755 /nfs/dbraw/zinc/12/57/55/458125755.db2.gz PUCWJYDVXQDJCX-BBRMVZONSA-N 2 1 346.906 3.371 20 0 EGADMP CC[N@@H+](Cc1cc(Cl)c(OC)c(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435383174 458130866 /nfs/dbraw/zinc/13/08/66/458130866.db2.gz GRSLRQIFGOOBNS-CQSZACIVSA-N 2 1 326.868 3.321 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000435385122 458132852 /nfs/dbraw/zinc/13/28/52/458132852.db2.gz PWGJMCBEAPFQIA-FQEVSTJZSA-N 3 1 346.563 3.022 20 0 EGADMP CC(C)[C@@H]([NH3+])CCN(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000435385122 458132854 /nfs/dbraw/zinc/13/28/54/458132854.db2.gz PWGJMCBEAPFQIA-FQEVSTJZSA-N 2 1 346.563 3.022 20 0 EGADMP CC[N@@H+](Cc1ccc(OC)c(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435391899 458135895 /nfs/dbraw/zinc/13/58/95/458135895.db2.gz UPQOPQXISXUZID-CQSZACIVSA-N 2 1 341.293 3.422 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435433110 458145784 /nfs/dbraw/zinc/14/57/84/458145784.db2.gz PXBOZULANPRQMB-QGZVFWFLSA-N 2 1 332.879 3.408 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435433110 458145786 /nfs/dbraw/zinc/14/57/86/458145786.db2.gz PXBOZULANPRQMB-QGZVFWFLSA-N 2 1 332.879 3.408 20 0 EGADMP CCn1cncc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000362394376 458149451 /nfs/dbraw/zinc/14/94/51/458149451.db2.gz DBQMWLSXFQVNHQ-UHFFFAOYSA-N 2 1 338.499 3.391 20 0 EGADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000375988947 458152522 /nfs/dbraw/zinc/15/25/22/458152522.db2.gz OXKJJQJYWFUZEW-CTNGQTDRSA-N 2 1 338.499 3.299 20 0 EGADMP C[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435612104 458172783 /nfs/dbraw/zinc/17/27/83/458172783.db2.gz DQRIBJDRQMPIKS-OAHLLOKOSA-N 2 1 334.851 3.006 20 0 EGADMP CCn1ccnc1C[N@@H+](CCC1CCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435691213 458185255 /nfs/dbraw/zinc/18/52/55/458185255.db2.gz FOFJWAHHBZSXPG-GOSISDBHSA-N 2 1 330.520 3.427 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412407981 458196702 /nfs/dbraw/zinc/19/67/02/458196702.db2.gz GLQMQTADFRFUJO-HXUWFJFHSA-N 2 1 343.515 3.227 20 0 EGADMP COc1ccc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000358790483 458218475 /nfs/dbraw/zinc/21/84/75/458218475.db2.gz KZXFNWYFBHPNEK-IRXDYDNUSA-N 2 1 339.483 3.336 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000429236024 458295230 /nfs/dbraw/zinc/29/52/30/458295230.db2.gz KPDRCORFBBSJKN-QGZVFWFLSA-N 2 1 342.487 3.493 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000429236024 458295235 /nfs/dbraw/zinc/29/52/35/458295235.db2.gz KPDRCORFBBSJKN-QGZVFWFLSA-N 2 1 342.487 3.493 20 0 EGADMP C[C@@H](NCC[N@@H+]1CCCC(C)(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000447557338 458311954 /nfs/dbraw/zinc/31/19/54/458311954.db2.gz JMCOCGPJMHDIKF-GOSISDBHSA-N 2 1 347.547 3.400 20 0 EGADMP C[C@@H](NCC[N@H+]1CCCC(C)(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000447557338 458311962 /nfs/dbraw/zinc/31/19/62/458311962.db2.gz JMCOCGPJMHDIKF-GOSISDBHSA-N 2 1 347.547 3.400 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000447589405 458317522 /nfs/dbraw/zinc/31/75/22/458317522.db2.gz XUVNEESTTSIYJL-LNLFQRSKSA-N 2 1 326.488 3.371 20 0 EGADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000429341861 458318600 /nfs/dbraw/zinc/31/86/00/458318600.db2.gz SGHAOKIZHBGZRK-NRFANRHFSA-N 2 1 349.478 3.326 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000429521677 458340351 /nfs/dbraw/zinc/34/03/51/458340351.db2.gz NFPKKQIUFNGFFL-HNAYVOBHSA-N 2 1 325.456 3.016 20 0 EGADMP C[C@@H](CN1CCCC1=O)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000376655202 458362940 /nfs/dbraw/zinc/36/29/40/458362940.db2.gz FSMZWAQWBQYVEM-KKXNLOMOSA-N 2 1 343.515 3.030 20 0 EGADMP O[C@@]1(C[NH2+]CCc2cccc(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000459422084 458366679 /nfs/dbraw/zinc/36/66/79/458366679.db2.gz CUEBXWOLGJKVMH-HXUWFJFHSA-N 2 1 344.886 3.109 20 0 EGADMP O[C@@]1(C[NH2+]CCc2cccc(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000459422084 458366684 /nfs/dbraw/zinc/36/66/84/458366684.db2.gz CUEBXWOLGJKVMH-HXUWFJFHSA-N 2 1 344.886 3.109 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC3(CC3)C(=O)O2)CCN1Cc1ccccc1 ZINC000373037470 458382103 /nfs/dbraw/zinc/38/21/03/458382103.db2.gz WSAFMXFISXFSQI-QRQLOZEOSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@H](N(C)C[C@@H]2CC3(CC3)C(=O)O2)CC[N@@H+]1Cc1ccccc1 ZINC000373037470 458382105 /nfs/dbraw/zinc/38/21/05/458382105.db2.gz WSAFMXFISXFSQI-QRQLOZEOSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@H](N(C)C[C@@H]2CC3(CC3)C(=O)O2)CC[N@H+]1Cc1ccccc1 ZINC000373037470 458382108 /nfs/dbraw/zinc/38/21/08/458382108.db2.gz WSAFMXFISXFSQI-QRQLOZEOSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC3(CC3)C(=O)O2)CC[N@@H+]1Cc1ccccc1 ZINC000373037470 458382111 /nfs/dbraw/zinc/38/21/11/458382111.db2.gz WSAFMXFISXFSQI-QRQLOZEOSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC3(CC3)C(=O)O2)CC[N@H+]1Cc1ccccc1 ZINC000373037470 458382115 /nfs/dbraw/zinc/38/21/15/458382115.db2.gz WSAFMXFISXFSQI-QRQLOZEOSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC3(CC3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000373037470 458382119 /nfs/dbraw/zinc/38/21/19/458382119.db2.gz WSAFMXFISXFSQI-QRQLOZEOSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC3(CC3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000373037470 458382122 /nfs/dbraw/zinc/38/21/22/458382122.db2.gz WSAFMXFISXFSQI-QRQLOZEOSA-N 2 1 342.483 3.067 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](CSC)C2)CC1 ZINC000430194963 458418375 /nfs/dbraw/zinc/41/83/75/458418375.db2.gz LSSPSTKJKJZOSO-SFHVURJKSA-N 2 1 347.572 3.404 20 0 EGADMP C[C@H](NC[C@@H]1[NH2+]CCc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423427312 458431617 /nfs/dbraw/zinc/43/16/17/458431617.db2.gz NTCCBHFXIHWZLD-HARLFGEKSA-N 2 1 349.522 3.374 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423427312 458431620 /nfs/dbraw/zinc/43/16/20/458431620.db2.gz NTCCBHFXIHWZLD-HARLFGEKSA-N 2 1 349.522 3.374 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423427312 458431622 /nfs/dbraw/zinc/43/16/22/458431622.db2.gz NTCCBHFXIHWZLD-HARLFGEKSA-N 2 1 349.522 3.374 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423437805 458432872 /nfs/dbraw/zinc/43/28/72/458432872.db2.gz QSNGUUGDOBETCZ-RDTXWAMCSA-N 2 1 340.471 3.136 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459658021 458437869 /nfs/dbraw/zinc/43/78/69/458437869.db2.gz IPJZERJQYARABC-OAHLLOKOSA-N 2 1 336.442 3.399 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459658021 458437872 /nfs/dbraw/zinc/43/78/72/458437872.db2.gz IPJZERJQYARABC-OAHLLOKOSA-N 2 1 336.442 3.399 20 0 EGADMP C[C@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423527329 458452588 /nfs/dbraw/zinc/45/25/88/458452588.db2.gz MHQNVTNMPNERQD-OUFMZXHOSA-N 2 1 349.522 3.242 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000423534153 458454023 /nfs/dbraw/zinc/45/40/23/458454023.db2.gz VIYVHPDHNBEMKA-RDTXWAMCSA-N 2 1 332.492 3.385 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423537854 458454968 /nfs/dbraw/zinc/45/49/68/458454968.db2.gz LEJQSLCIROATBD-BHIFYINESA-N 3 1 339.527 3.187 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](NCCC[NH2+]C3CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000423556096 458456766 /nfs/dbraw/zinc/45/67/66/458456766.db2.gz MKLHEHNYBKEYKJ-HKBOAZHASA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCC[NH2+]C3CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000423556096 458456769 /nfs/dbraw/zinc/45/67/69/458456769.db2.gz MKLHEHNYBKEYKJ-HKBOAZHASA-N 3 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC[NH2+]C3CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000423556096 458456773 /nfs/dbraw/zinc/45/67/73/458456773.db2.gz MKLHEHNYBKEYKJ-HKBOAZHASA-N 3 1 327.516 3.161 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000459721720 458456778 /nfs/dbraw/zinc/45/67/78/458456778.db2.gz ARHLJVURHWAJLL-AZUAARDMSA-N 2 1 332.488 3.066 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430539038 458457696 /nfs/dbraw/zinc/45/76/96/458457696.db2.gz DFZGAGSUHCXRAM-JKSUJKDBSA-N 2 1 341.499 3.322 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430539038 458457699 /nfs/dbraw/zinc/45/76/99/458457699.db2.gz DFZGAGSUHCXRAM-JKSUJKDBSA-N 2 1 341.499 3.322 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000459743160 458466350 /nfs/dbraw/zinc/46/63/50/458466350.db2.gz WQQXYGZSOCALNJ-CYBMUJFWSA-N 2 1 334.414 3.176 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000430641809 458474436 /nfs/dbraw/zinc/47/44/36/458474436.db2.gz UJBSIDQCDJKFJL-QGZVFWFLSA-N 2 1 334.467 3.433 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000430641809 458474440 /nfs/dbraw/zinc/47/44/40/458474440.db2.gz UJBSIDQCDJKFJL-QGZVFWFLSA-N 2 1 334.467 3.433 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459774558 458475548 /nfs/dbraw/zinc/47/55/48/458475548.db2.gz JFMCOSQRLVEBRT-CEWLAPEOSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459774558 458475552 /nfs/dbraw/zinc/47/55/52/458475552.db2.gz JFMCOSQRLVEBRT-CEWLAPEOSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459774558 458475555 /nfs/dbraw/zinc/47/55/55/458475555.db2.gz JFMCOSQRLVEBRT-CEWLAPEOSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459774558 458475559 /nfs/dbraw/zinc/47/55/59/458475559.db2.gz JFMCOSQRLVEBRT-CEWLAPEOSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459774558 458475562 /nfs/dbraw/zinc/47/55/62/458475562.db2.gz JFMCOSQRLVEBRT-CEWLAPEOSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1)c1cccc2ccccc21 ZINC000430929822 458506700 /nfs/dbraw/zinc/50/67/00/458506700.db2.gz RAKLJONDQRRKJU-NARAOEGZSA-N 2 1 339.483 3.075 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)c1cccc2ccccc21 ZINC000430929822 458506704 /nfs/dbraw/zinc/50/67/04/458506704.db2.gz RAKLJONDQRRKJU-NARAOEGZSA-N 2 1 339.483 3.075 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431042425 458521444 /nfs/dbraw/zinc/52/14/44/458521444.db2.gz HKSHFGLUYHDMHS-SOAMZJECSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)([NH3+])c1noc(C[N@@H+](CCc2ccccc2F)C2CCCC2)n1 ZINC000431074696 458524392 /nfs/dbraw/zinc/52/43/92/458524392.db2.gz XEZFGTFHGZQKNH-UHFFFAOYSA-N 2 1 346.450 3.390 20 0 EGADMP C[C@H](C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000423968794 458524660 /nfs/dbraw/zinc/52/46/60/458524660.db2.gz KRFMEAGJYKHFRH-XLIONFOSSA-N 2 1 339.483 3.103 20 0 EGADMP CC(C)([NH3+])c1noc(C[N@@H+](CCc2ccc(F)cc2)C2CCCC2)n1 ZINC000431107819 458530201 /nfs/dbraw/zinc/53/02/01/458530201.db2.gz SCPPDLJKPNFXNL-UHFFFAOYSA-N 2 1 346.450 3.390 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc4ccccc43)C2)CC1 ZINC000377906207 458570267 /nfs/dbraw/zinc/57/02/67/458570267.db2.gz JEEFQOFSJCXRHX-OAQYLSRUSA-N 2 1 337.511 3.440 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC000469480492 458576445 /nfs/dbraw/zinc/57/64/45/458576445.db2.gz VKQCJXDGVSBQHC-SFHVURJKSA-N 2 1 325.541 3.077 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1coc(-c3cccc(F)c3)n1)CC[NH2+]CC2 ZINC000424296594 458608128 /nfs/dbraw/zinc/60/81/28/458608128.db2.gz RZIMRBPGPPWTGH-CQSZACIVSA-N 2 1 329.419 3.445 20 0 EGADMP COC(=O)CC1CC([NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000424300211 458609011 /nfs/dbraw/zinc/60/90/11/458609011.db2.gz JWKYZXPUQOUBHJ-YUKKFIBKSA-N 2 1 344.499 3.218 20 0 EGADMP COC(=O)CC1CC([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000424300204 458609168 /nfs/dbraw/zinc/60/91/68/458609168.db2.gz JWKYZXPUQOUBHJ-FVPXHTFXSA-N 2 1 344.499 3.218 20 0 EGADMP COc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OC(F)F ZINC000424381549 458630079 /nfs/dbraw/zinc/63/00/79/458630079.db2.gz RAGCUJDTOYXAMF-CYBMUJFWSA-N 2 1 340.414 3.261 20 0 EGADMP C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000431818520 458630561 /nfs/dbraw/zinc/63/05/61/458630561.db2.gz QYPMJIMHNZHMBY-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1c(F)cccc1N1CCCC1)CC[NH2+]CC2 ZINC000424388944 458632279 /nfs/dbraw/zinc/63/22/79/458632279.db2.gz ZQNAZSSTKSWTTJ-INIZCTEOSA-N 2 1 331.479 3.390 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456309068 458636183 /nfs/dbraw/zinc/63/61/83/458636183.db2.gz JIAKRQWJIFPYLP-HNAYVOBHSA-N 2 1 329.488 3.439 20 0 EGADMP CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)CC1 ZINC000456519607 458701958 /nfs/dbraw/zinc/70/19/58/458701958.db2.gz ATBOBHTUEJSRPL-QGZVFWFLSA-N 2 1 343.515 3.227 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cn(C)nc2C2CCCCC2)CCCO1 ZINC000432343879 458719469 /nfs/dbraw/zinc/71/94/69/458719469.db2.gz AKWUPAHMMAMOLC-QGZVFWFLSA-N 2 1 348.535 3.058 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cn(C)nc2C2CCCCC2)CCCO1 ZINC000432343879 458719478 /nfs/dbraw/zinc/71/94/78/458719478.db2.gz AKWUPAHMMAMOLC-QGZVFWFLSA-N 2 1 348.535 3.058 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530215222 458720426 /nfs/dbraw/zinc/72/04/26/458720426.db2.gz FMBHEFKEOOKBCC-SOAGJPPSSA-N 2 1 327.516 3.304 20 0 EGADMP C[N@H+](Cc1ccccc1)C1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530215222 458720430 /nfs/dbraw/zinc/72/04/30/458720430.db2.gz FMBHEFKEOOKBCC-SOAGJPPSSA-N 2 1 327.516 3.304 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530215222 458720435 /nfs/dbraw/zinc/72/04/35/458720435.db2.gz FMBHEFKEOOKBCC-SOAGJPPSSA-N 2 1 327.516 3.304 20 0 EGADMP COc1ccc([C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C(C)C)cc1 ZINC000432421136 458737460 /nfs/dbraw/zinc/73/74/60/458737460.db2.gz NYNOVUWWIAKPCF-FXAWDEMLSA-N 2 1 334.504 3.483 20 0 EGADMP COc1ccc([C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C(C)C)cc1 ZINC000432421138 458737708 /nfs/dbraw/zinc/73/77/08/458737708.db2.gz NYNOVUWWIAKPCF-XLIONFOSSA-N 2 1 334.504 3.483 20 0 EGADMP C[C@H]([NH2+][C@H](CO)C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547503487 458750886 /nfs/dbraw/zinc/75/08/86/458750886.db2.gz KYQBYUAZMFAOSG-DZFGPLHGSA-N 2 1 330.516 3.428 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](C/C=C\c2ccncc2)CC1 ZINC000494927515 458766749 /nfs/dbraw/zinc/76/67/49/458766749.db2.gz AACYVJPDIHQWSY-XQRVVYSFSA-N 2 1 331.504 3.165 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000439960004 458769499 /nfs/dbraw/zinc/76/94/99/458769499.db2.gz UYQQCKXSSISEMG-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000439960004 458769502 /nfs/dbraw/zinc/76/95/02/458769502.db2.gz UYQQCKXSSISEMG-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000439960004 458769507 /nfs/dbraw/zinc/76/95/07/458769507.db2.gz UYQQCKXSSISEMG-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]([NH2+]CCCCn1ccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828540 458801139 /nfs/dbraw/zinc/80/11/39/458801139.db2.gz ZHIXZBSVHLNYBO-UYAOXDASSA-N 2 1 326.488 3.164 20 0 EGADMP FC(F)(F)OCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000474059728 458857810 /nfs/dbraw/zinc/85/78/10/458857810.db2.gz OZSOPUJYXODJGY-BRWVUGGUSA-N 2 1 342.405 3.413 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)cc1)C1CC1 ZINC000440913889 458863877 /nfs/dbraw/zinc/86/38/77/458863877.db2.gz MHKAEVJZMBQAGX-CRAIPNDOSA-N 2 1 341.499 3.026 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1)C1CC1 ZINC000440913889 458863885 /nfs/dbraw/zinc/86/38/85/458863885.db2.gz MHKAEVJZMBQAGX-CRAIPNDOSA-N 2 1 341.499 3.026 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1)C1CC1 ZINC000440913889 458863890 /nfs/dbraw/zinc/86/38/90/458863890.db2.gz MHKAEVJZMBQAGX-CRAIPNDOSA-N 2 1 341.499 3.026 20 0 EGADMP C[N@@H+](CCCCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)C1CC1 ZINC000457205479 458897798 /nfs/dbraw/zinc/89/77/98/458897798.db2.gz RCBMMSGQRWKLJR-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000457205479 458897803 /nfs/dbraw/zinc/89/78/03/458897803.db2.gz RCBMMSGQRWKLJR-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000457205479 458897807 /nfs/dbraw/zinc/89/78/07/458897807.db2.gz RCBMMSGQRWKLJR-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000474876119 458904289 /nfs/dbraw/zinc/90/42/89/458904289.db2.gz CSGKOLLDYFHGQI-ZJRDLVKKSA-N 2 1 338.536 3.456 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495657250 458910727 /nfs/dbraw/zinc/91/07/27/458910727.db2.gz LBRJNYZPICDYGY-CVEARBPZSA-N 2 1 327.513 3.096 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495657250 458910736 /nfs/dbraw/zinc/91/07/36/458910736.db2.gz LBRJNYZPICDYGY-CVEARBPZSA-N 2 1 327.513 3.096 20 0 EGADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c(OC2CCCC2)c1 ZINC000519138265 458919014 /nfs/dbraw/zinc/91/90/14/458919014.db2.gz NAAMVFWEOFFYPE-HZPDHXFCSA-N 2 1 332.488 3.494 20 0 EGADMP CC[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@H]1CC1(C)C ZINC000566467004 458942382 /nfs/dbraw/zinc/94/23/82/458942382.db2.gz RABCRAFJRDHXPK-MOPGFXCFSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000519529869 458957064 /nfs/dbraw/zinc/95/70/64/458957064.db2.gz YHGCMLDZXHPUKI-DOTOQJQBSA-N 2 1 344.503 3.181 20 0 EGADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000531689156 458961201 /nfs/dbraw/zinc/96/12/01/458961201.db2.gz FYOLCIXHZAIPJZ-YRGRVCCFSA-N 2 1 328.403 3.115 20 0 EGADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000531689156 458961209 /nfs/dbraw/zinc/96/12/09/458961209.db2.gz FYOLCIXHZAIPJZ-YRGRVCCFSA-N 2 1 328.403 3.115 20 0 EGADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)nc1 ZINC000566619158 458971556 /nfs/dbraw/zinc/97/15/56/458971556.db2.gz AHZCUBJNSFKFED-LJQANCHMSA-N 2 1 336.483 3.114 20 0 EGADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)nc1 ZINC000566619158 458971563 /nfs/dbraw/zinc/97/15/63/458971563.db2.gz AHZCUBJNSFKFED-LJQANCHMSA-N 2 1 336.483 3.114 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000476128173 458981259 /nfs/dbraw/zinc/98/12/59/458981259.db2.gz BSZWGEJXOXBXNS-KZNAEPCWSA-N 2 1 337.552 3.266 20 0 EGADMP CN(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc(Cl)cc1 ZINC000566924636 459022807 /nfs/dbraw/zinc/02/28/07/459022807.db2.gz RZSYANTXFFPPLW-ZWKOTPCHSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000442756957 459031209 /nfs/dbraw/zinc/03/12/09/459031209.db2.gz LGKJYXKCHHLIQV-IRXDYDNUSA-N 2 1 335.536 3.150 20 0 EGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000442756957 459031211 /nfs/dbraw/zinc/03/12/11/459031211.db2.gz LGKJYXKCHHLIQV-IRXDYDNUSA-N 2 1 335.536 3.150 20 0 EGADMP CCSc1ccccc1[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442868240 459046760 /nfs/dbraw/zinc/04/67/60/459046760.db2.gz GLGZZEBLFBALGG-MRXNPFEDSA-N 2 1 335.561 3.475 20 0 EGADMP Cc1ccc2cc([C@@H](C)[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)oc2c1 ZINC000442870280 459047929 /nfs/dbraw/zinc/04/79/29/459047929.db2.gz GBXJEJCEWVWSSJ-MRXNPFEDSA-N 2 1 329.488 3.418 20 0 EGADMP CC[C@@H]([NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1)C1CCOCC1 ZINC000532231283 459051350 /nfs/dbraw/zinc/05/13/50/459051350.db2.gz XTBKNOXYKZQFNI-LJQANCHMSA-N 2 1 338.536 3.205 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000532236604 459052259 /nfs/dbraw/zinc/05/22/59/459052259.db2.gz IVQAWHNGYKILKW-SQWLQELKSA-N 2 1 337.895 3.438 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000532236604 459052261 /nfs/dbraw/zinc/05/22/61/459052261.db2.gz IVQAWHNGYKILKW-SQWLQELKSA-N 2 1 337.895 3.438 20 0 EGADMP CCC[NH+](C)[C@H](CNC(=O)C[N@H+](C)CCC)c1ccc(Cl)cc1 ZINC000557336331 459064169 /nfs/dbraw/zinc/06/41/69/459064169.db2.gz BWAATSQCQWTXMP-QGZVFWFLSA-N 2 1 339.911 3.181 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC000557336331 459064176 /nfs/dbraw/zinc/06/41/76/459064176.db2.gz BWAATSQCQWTXMP-QGZVFWFLSA-N 2 1 339.911 3.181 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC000557336331 459064178 /nfs/dbraw/zinc/06/41/78/459064178.db2.gz BWAATSQCQWTXMP-QGZVFWFLSA-N 2 1 339.911 3.181 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(Cl)c1 ZINC000443061034 459081429 /nfs/dbraw/zinc/08/14/29/459081429.db2.gz QPXGJNITRKLSCJ-CABCVRRESA-N 2 1 337.895 3.345 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c(Cl)c1 ZINC000443061034 459081435 /nfs/dbraw/zinc/08/14/35/459081435.db2.gz QPXGJNITRKLSCJ-CABCVRRESA-N 2 1 337.895 3.345 20 0 EGADMP CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@H](CC[NH3+])C3)n2)cc1 ZINC000443077127 459086118 /nfs/dbraw/zinc/08/61/18/459086118.db2.gz UCJGZMWEDTVLPX-OAHLLOKOSA-N 2 1 328.460 3.421 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000577955203 459123495 /nfs/dbraw/zinc/12/34/95/459123495.db2.gz HDGGUHDASFKCEO-PXNSSMCTSA-N 2 1 343.515 3.067 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000496272585 459130972 /nfs/dbraw/zinc/13/09/72/459130972.db2.gz HOOWNCLQIOHQJH-YLFCFFPRSA-N 2 1 341.540 3.388 20 0 EGADMP Clc1ccccc1[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCCC1 ZINC000567642441 459138300 /nfs/dbraw/zinc/13/83/00/459138300.db2.gz BGGBJYBQLIJYSZ-IEBWDACRSA-N 2 1 333.907 3.350 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000479524309 459144666 /nfs/dbraw/zinc/14/46/66/459144666.db2.gz HAALOGXQMSGGSE-CJNGLKHVSA-N 2 1 330.394 3.100 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000479524311 459146612 /nfs/dbraw/zinc/14/66/12/459146612.db2.gz HAALOGXQMSGGSE-XJKSGUPXSA-N 2 1 330.394 3.100 20 0 EGADMP O[C@@H](CCc1ccccc1)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567700925 459149811 /nfs/dbraw/zinc/14/98/11/459149811.db2.gz VBNQDUKFHVVPBU-VXKWHMMOSA-N 2 1 338.495 3.092 20 0 EGADMP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCC1CC[NH2+]CC1 ZINC000479693096 459159911 /nfs/dbraw/zinc/15/99/11/459159911.db2.gz XUVRQKNGEFTNQV-UHFFFAOYSA-N 2 1 344.478 3.470 20 0 EGADMP CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000533431983 459233481 /nfs/dbraw/zinc/23/34/81/459233481.db2.gz SRCHIJADALTYQP-LBPRGKRZSA-N 2 1 344.286 3.206 20 0 EGADMP CSc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000595331766 459278693 /nfs/dbraw/zinc/27/86/93/459278693.db2.gz DCFFQGUSOXQDTF-SFHVURJKSA-N 2 1 333.545 3.009 20 0 EGADMP Cc1cc2[nH]c(C[N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cc2c(C)c1 ZINC000481985590 459284828 /nfs/dbraw/zinc/28/48/28/459284828.db2.gz PXFQOMDLKAMQAN-QGZVFWFLSA-N 2 1 343.515 3.309 20 0 EGADMP Fc1cccc(C[NH2+]Cc2cnc3n2CCCC3)c1Br ZINC000560146029 459306075 /nfs/dbraw/zinc/30/60/75/459306075.db2.gz MUGXQCVTKIREOJ-UHFFFAOYSA-N 2 1 338.224 3.411 20 0 EGADMP Cc1ccc(OC[C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000582117297 459310290 /nfs/dbraw/zinc/31/02/90/459310290.db2.gz LCULNXAZGULDJE-AZUAARDMSA-N 2 1 348.531 3.145 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000482481333 459311486 /nfs/dbraw/zinc/31/14/86/459311486.db2.gz OVFYTZNRMUPBDE-LPHOPBHVSA-N 2 1 345.531 3.180 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000582129825 459313670 /nfs/dbraw/zinc/31/36/70/459313670.db2.gz DVDULCIVDIKGIJ-FQEVSTJZSA-N 2 1 327.472 3.115 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000582129825 459313676 /nfs/dbraw/zinc/31/36/76/459313676.db2.gz DVDULCIVDIKGIJ-FQEVSTJZSA-N 2 1 327.472 3.115 20 0 EGADMP Cc1ccc(C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c2ccc(C)cc2)cc1 ZINC000482627522 459317495 /nfs/dbraw/zinc/31/74/95/459317495.db2.gz HTNHAZVDMGQBHK-RTWAWAEBSA-N 2 1 326.484 3.099 20 0 EGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000482749033 459322423 /nfs/dbraw/zinc/32/24/23/459322423.db2.gz YVNFLIGQQIZTGO-RZQQEMMASA-N 2 1 334.479 3.132 20 0 EGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000482749032 459322471 /nfs/dbraw/zinc/32/24/71/459322471.db2.gz YVNFLIGQQIZTGO-QINHECLXSA-N 2 1 334.479 3.132 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cc2c(s1)CCCC2 ZINC000482744895 459323200 /nfs/dbraw/zinc/32/32/00/459323200.db2.gz NPQKXLQCHPKSSZ-NVXWUHKLSA-N 2 1 336.545 3.370 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CC[NH+](C(C)C)C2)cc1)C1CC1 ZINC000523727072 459326580 /nfs/dbraw/zinc/32/65/80/459326580.db2.gz XCJBFEONVAGGBN-GOSISDBHSA-N 2 1 343.515 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1)C1CC1 ZINC000523727072 459326583 /nfs/dbraw/zinc/32/65/83/459326583.db2.gz XCJBFEONVAGGBN-GOSISDBHSA-N 2 1 343.515 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc1)C1CC1 ZINC000523727072 459326586 /nfs/dbraw/zinc/32/65/86/459326586.db2.gz XCJBFEONVAGGBN-GOSISDBHSA-N 2 1 343.515 3.131 20 0 EGADMP Cc1ccc(C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C(C)C)cc1 ZINC000482886584 459329858 /nfs/dbraw/zinc/32/98/58/459329858.db2.gz IXFQIAOKGIWFFP-LEWJYISDSA-N 2 1 332.532 3.389 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000483119301 459342298 /nfs/dbraw/zinc/34/22/98/459342298.db2.gz LVKZAWLBLQAICC-XJKSGUPXSA-N 2 1 337.305 3.411 20 0 EGADMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000560460448 459350118 /nfs/dbraw/zinc/35/01/18/459350118.db2.gz MHYBRKINUNQZPT-LJQANCHMSA-N 2 1 335.923 3.249 20 0 EGADMP CCCOc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000524609645 459375195 /nfs/dbraw/zinc/37/51/95/459375195.db2.gz IKPAZLJHGROABL-SFHVURJKSA-N 2 1 332.488 3.272 20 0 EGADMP CCCOc1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000524609645 459375198 /nfs/dbraw/zinc/37/51/98/459375198.db2.gz IKPAZLJHGROABL-SFHVURJKSA-N 2 1 332.488 3.272 20 0 EGADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000484124507 459407112 /nfs/dbraw/zinc/40/71/12/459407112.db2.gz ZHRWYJMQSJLKJA-SFHVURJKSA-N 2 1 347.547 3.118 20 0 EGADMP C/C(=C\c1ccccc1)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000525460441 459458315 /nfs/dbraw/zinc/45/83/15/459458315.db2.gz AUSDLFWHRCZWCO-PGPKDTDWSA-N 2 1 336.479 3.317 20 0 EGADMP C/C(=C\c1ccccc1)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000525460441 459458321 /nfs/dbraw/zinc/45/83/21/459458321.db2.gz AUSDLFWHRCZWCO-PGPKDTDWSA-N 2 1 336.479 3.317 20 0 EGADMP CCCC[C@H](C)[N@H+](CCCC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000583040418 459471021 /nfs/dbraw/zinc/47/10/21/459471021.db2.gz FSMIETJOPZYYDH-SFHVURJKSA-N 2 1 347.551 3.409 20 0 EGADMP CCCC[C@H](C)[N@@H+](CCCC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000583040418 459471025 /nfs/dbraw/zinc/47/10/25/459471025.db2.gz FSMIETJOPZYYDH-SFHVURJKSA-N 2 1 347.551 3.409 20 0 EGADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000497174653 459473340 /nfs/dbraw/zinc/47/33/40/459473340.db2.gz AHOFCHGWZIVUHW-HZPDHXFCSA-N 2 1 339.524 3.286 20 0 EGADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000497174653 459473344 /nfs/dbraw/zinc/47/33/44/459473344.db2.gz AHOFCHGWZIVUHW-HZPDHXFCSA-N 2 1 339.524 3.286 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497177387 459473787 /nfs/dbraw/zinc/47/37/87/459473787.db2.gz KDOSCYGPZOISKC-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497203332 459483905 /nfs/dbraw/zinc/48/39/05/459483905.db2.gz RDDQOXGJCGZNSP-CVEARBPZSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1C[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000569681104 459492762 /nfs/dbraw/zinc/49/27/62/459492762.db2.gz OZXHKTMMPGRJIJ-INIZCTEOSA-N 2 1 337.467 3.134 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1C[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000569681104 459492766 /nfs/dbraw/zinc/49/27/66/459492766.db2.gz OZXHKTMMPGRJIJ-INIZCTEOSA-N 2 1 337.467 3.134 20 0 EGADMP CCCCN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000486210158 459493184 /nfs/dbraw/zinc/49/31/84/459493184.db2.gz BANRTNNPPZXBHU-WBVHZDCISA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000569707267 459497254 /nfs/dbraw/zinc/49/72/54/459497254.db2.gz XCWBCPJYQNJCOE-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000561976702 459498827 /nfs/dbraw/zinc/49/88/27/459498827.db2.gz QBDZOVWPTOFETK-ZWKOTPCHSA-N 2 1 334.504 3.345 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](C)c3ccc(F)cc3)C2)CC1 ZINC000525875149 459508863 /nfs/dbraw/zinc/50/88/63/459508863.db2.gz CSXCHWBPVXJOHM-PXNSSMCTSA-N 2 1 333.495 3.030 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCc3cccnc3)C2)s1 ZINC000583266634 459511335 /nfs/dbraw/zinc/51/13/35/459511335.db2.gz QOFUMDJRKWFSLI-SFHVURJKSA-N 2 1 329.513 3.448 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCc3cccnc3)C2)s1 ZINC000583266634 459511341 /nfs/dbraw/zinc/51/13/41/459511341.db2.gz QOFUMDJRKWFSLI-SFHVURJKSA-N 2 1 329.513 3.448 20 0 EGADMP OC1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000569827414 459518335 /nfs/dbraw/zinc/51/83/35/459518335.db2.gz XGCULSXQKFIOJA-XUVXKRRUSA-N 2 1 328.500 3.182 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([S@@](C)=O)cc1 ZINC000596095407 459518953 /nfs/dbraw/zinc/51/89/53/459518953.db2.gz QDJDJUAOQMHUPG-XSSDXNQZSA-N 2 1 334.529 3.197 20 0 EGADMP CC1=CC[C@H]([NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000572861929 459587813 /nfs/dbraw/zinc/58/78/13/459587813.db2.gz GSJGGKGAYQKDFZ-SFTDATJTSA-N 2 1 327.516 3.454 20 0 EGADMP CCc1cc(NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)nc(C)[nH+]1 ZINC000542949413 459613040 /nfs/dbraw/zinc/61/30/40/459613040.db2.gz XCZKJAVIHOAXIW-LJQANCHMSA-N 2 1 340.471 3.027 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)CC[C@@H]3CCC[N@H+]3C)C2)s1 ZINC000563214688 459740051 /nfs/dbraw/zinc/74/00/51/459740051.db2.gz CVRKRXICARLHIW-MSOLQXFVSA-N 2 1 335.561 3.295 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H](CN(C)CC[C@@H]3CCC[NH+]3C)C2)s1 ZINC000563214688 459740059 /nfs/dbraw/zinc/74/00/59/459740059.db2.gz CVRKRXICARLHIW-MSOLQXFVSA-N 2 1 335.561 3.295 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CC[C@@H]3CCC[NH+]3C)C2)s1 ZINC000563214688 459740067 /nfs/dbraw/zinc/74/00/67/459740067.db2.gz CVRKRXICARLHIW-MSOLQXFVSA-N 2 1 335.561 3.295 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCC[C@H](C)CC3)CC2)CC1 ZINC000573860744 459746884 /nfs/dbraw/zinc/74/68/84/459746884.db2.gz AOFLJMKWAJOQHR-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](SC)C(C)(C)C)[C@H](C)C1 ZINC000544384718 459754640 /nfs/dbraw/zinc/75/46/40/459754640.db2.gz DDQJJYUUQQUXMN-IXDOHACOSA-N 2 1 330.582 3.491 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccn3c(C)cnc3c2)c1 ZINC000574052008 459774003 /nfs/dbraw/zinc/77/40/03/459774003.db2.gz QUSNCUAMJNRKMQ-UHFFFAOYSA-N 2 1 336.439 3.024 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC45CC(C4)CO5)[C@H]3C2)cc1 ZINC000527981958 459787654 /nfs/dbraw/zinc/78/76/54/459787654.db2.gz PGCGGHWXKSKUPJ-SONFCDGGSA-N 2 1 326.484 3.056 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCc2cncn2C)CCN1Cc1ccccc1 ZINC000574168822 459788314 /nfs/dbraw/zinc/78/83/14/459788314.db2.gz JQSPARONYCKYIM-QUCCMNQESA-N 3 1 340.515 3.338 20 0 EGADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000528004678 459793353 /nfs/dbraw/zinc/79/33/53/459793353.db2.gz RQLDXRNTKZEPAA-PIABYFCUSA-N 2 1 328.500 3.299 20 0 EGADMP CCCOc1cccc(CN2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1 ZINC000566018031 459793624 /nfs/dbraw/zinc/79/36/24/459793624.db2.gz RWKSSSCUWNTDMR-QGZVFWFLSA-N 2 1 332.488 3.161 20 0 EGADMP CCCOc1cccc(CN2CCC([N@H+]3CCOC[C@H]3C)CC2)c1 ZINC000566018031 459793630 /nfs/dbraw/zinc/79/36/30/459793630.db2.gz RWKSSSCUWNTDMR-QGZVFWFLSA-N 2 1 332.488 3.161 20 0 EGADMP Cc1cccc2[nH]c(C[N@@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)cc21 ZINC000597025314 459820668 /nfs/dbraw/zinc/82/06/68/459820668.db2.gz CJWHGBVKFDUZQT-LJQANCHMSA-N 2 1 340.515 3.077 20 0 EGADMP C([NH2+]C1CCC2(CCCO2)CC1)C1([NH+]2CCCCC2)CCOCC1 ZINC000574617792 459841242 /nfs/dbraw/zinc/84/12/42/459841242.db2.gz OSFCBMYKUCTQEA-UHFFFAOYSA-N 2 1 336.520 3.103 20 0 EGADMP CC(C)[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(F)c(F)c1 ZINC000575377601 459967267 /nfs/dbraw/zinc/96/72/67/459967267.db2.gz YGMYCCHSFRVMSE-QGZVFWFLSA-N 2 1 349.429 3.037 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000588686614 459967511 /nfs/dbraw/zinc/96/75/11/459967511.db2.gz HRAWRAPHPPDQLQ-IEBWSBKVSA-N 2 1 330.497 3.282 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000588686614 459967516 /nfs/dbraw/zinc/96/75/16/459967516.db2.gz HRAWRAPHPPDQLQ-IEBWSBKVSA-N 2 1 330.497 3.282 20 0 EGADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000621780235 460060774 /nfs/dbraw/zinc/06/07/74/460060774.db2.gz OZRZDNHAVJOGBS-MEDUHNTESA-N 2 1 342.270 3.135 20 0 EGADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000621780235 460060781 /nfs/dbraw/zinc/06/07/81/460060781.db2.gz OZRZDNHAVJOGBS-MEDUHNTESA-N 2 1 342.270 3.135 20 0 EGADMP C[C@H]1[C@H](NC2CC[NH+](CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000576134271 460077075 /nfs/dbraw/zinc/07/70/75/460077075.db2.gz BHGMMIGSDDGEPS-LAUBAEHRSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H]1[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCN1Cc1ccccc1 ZINC000576134271 460077082 /nfs/dbraw/zinc/07/70/82/460077082.db2.gz BHGMMIGSDDGEPS-LAUBAEHRSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+](C)[C@H](CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000618669060 460119262 /nfs/dbraw/zinc/11/92/62/460119262.db2.gz DVPKFICTWKFNJL-AZUAARDMSA-N 2 1 343.515 3.203 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c2ccccc21 ZINC000599069674 460150335 /nfs/dbraw/zinc/15/03/35/460150335.db2.gz IFADHBGMVMXTJN-PWIZWCRZSA-N 2 1 344.499 3.490 20 0 EGADMP CC[NH+](CC)CCCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000576505064 460155572 /nfs/dbraw/zinc/15/55/72/460155572.db2.gz GEYYPVRUALUIKV-LEWJYISDSA-N 2 1 329.532 3.172 20 0 EGADMP COc1ccc(F)c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000622043926 460169086 /nfs/dbraw/zinc/16/90/86/460169086.db2.gz PQALMCUMEOYZEZ-QUCCMNQESA-N 2 1 342.414 3.180 20 0 EGADMP COc1ccc(F)c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000622043927 460169419 /nfs/dbraw/zinc/16/94/19/460169419.db2.gz PQALMCUMEOYZEZ-UYAOXDASSA-N 2 1 342.414 3.180 20 0 EGADMP COC(=O)CCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000599317579 460227806 /nfs/dbraw/zinc/22/78/06/460227806.db2.gz CMIXSSPFHOAJOQ-VQTJNVASSA-N 2 1 344.499 3.316 20 0 EGADMP COC(=O)CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000599317579 460227809 /nfs/dbraw/zinc/22/78/09/460227809.db2.gz CMIXSSPFHOAJOQ-VQTJNVASSA-N 2 1 344.499 3.316 20 0 EGADMP COC(=O)CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000599317579 460227812 /nfs/dbraw/zinc/22/78/12/460227812.db2.gz CMIXSSPFHOAJOQ-VQTJNVASSA-N 2 1 344.499 3.316 20 0 EGADMP FC(F)(F)c1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000603517215 460315600 /nfs/dbraw/zinc/31/56/00/460315600.db2.gz JADWHKYTJARTHH-QGZVFWFLSA-N 2 1 342.405 3.438 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@H]2COc3ccccc3O2)C1 ZINC000603740927 460338210 /nfs/dbraw/zinc/33/82/10/460338210.db2.gz XUXUEDMPSCTFRB-QYZOEREBSA-N 2 1 344.499 3.413 20 0 EGADMP FC(F)(F)c1cccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000628351204 460377111 /nfs/dbraw/zinc/37/71/11/460377111.db2.gz YWJLKFGMVODTMD-KRWDZBQOSA-N 2 1 342.405 3.091 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000623086771 460407266 /nfs/dbraw/zinc/40/72/66/460407266.db2.gz JMNNPAOUTVQWIT-UHFFFAOYSA-N 2 1 339.414 3.471 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H](C)CCc2c[nH]c3ccccc23)CC1 ZINC000631572422 460449615 /nfs/dbraw/zinc/44/96/15/460449615.db2.gz BCAIAXCIEFMOBT-INIZCTEOSA-N 2 1 329.488 3.189 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000634732900 460497511 /nfs/dbraw/zinc/49/75/11/460497511.db2.gz ROYXACQBVCQOKM-MISYRCLQSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCN1Cc1ccccc1 ZINC000634732900 460497518 /nfs/dbraw/zinc/49/75/18/460497518.db2.gz ROYXACQBVCQOKM-MISYRCLQSA-N 2 1 329.532 3.407 20 0 EGADMP COc1cccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1OC(F)F ZINC000634732298 460498450 /nfs/dbraw/zinc/49/84/50/460498450.db2.gz CHAHQHMROOXNDG-ZDUSSCGKSA-N 2 1 328.403 3.164 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000623361008 460508722 /nfs/dbraw/zinc/50/87/22/460508722.db2.gz JLQJSDSONBVNCC-GJZGRUSLSA-N 2 1 328.378 3.430 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000623361008 460508726 /nfs/dbraw/zinc/50/87/26/460508726.db2.gz JLQJSDSONBVNCC-GJZGRUSLSA-N 2 1 328.378 3.430 20 0 EGADMP c1[nH]nc2cccc(C[NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)c12 ZINC000623400232 460528483 /nfs/dbraw/zinc/52/84/83/460528483.db2.gz MIPSFFGXTQXIEL-SFHVURJKSA-N 2 1 334.467 3.217 20 0 EGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1c1[nH+]cnc2[nH]ccc21 ZINC000634807813 460532162 /nfs/dbraw/zinc/53/21/62/460532162.db2.gz BNJIJHHMPWTUOI-SJLPKXTDSA-N 2 1 335.455 3.134 20 0 EGADMP COc1cc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1Cl ZINC000623424728 460541491 /nfs/dbraw/zinc/54/14/91/460541491.db2.gz BOUQKBBDZMIXBJ-GASCZTMLSA-N 2 1 340.895 3.328 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000635415367 460776397 /nfs/dbraw/zinc/77/63/97/460776397.db2.gz CLNAWQJFCBWWRZ-UHFFFAOYSA-N 2 1 340.471 3.284 20 0 EGADMP CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2cnn(CC[NH+](C)C)c2)cc1 ZINC000629707056 460880724 /nfs/dbraw/zinc/88/07/24/460880724.db2.gz GLBQTDRGHFJMPR-HXUWFJFHSA-N 2 1 326.488 3.486 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC[N@@H+]1C ZINC000624226703 460920662 /nfs/dbraw/zinc/92/06/62/460920662.db2.gz XCJCSHQZKUGVKJ-VHDGCEQUSA-N 2 1 325.859 3.130 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC[N@H+]1C ZINC000624226703 460920666 /nfs/dbraw/zinc/92/06/66/460920666.db2.gz XCJCSHQZKUGVKJ-VHDGCEQUSA-N 2 1 325.859 3.130 20 0 EGADMP C[N@@H+](CC(=O)Nc1ccc2c(c1)nc1n2CCCCC1)C1CCC1 ZINC000629945499 460967101 /nfs/dbraw/zinc/96/71/01/460967101.db2.gz FGDAJWOFUYRZND-UHFFFAOYSA-N 2 1 326.444 3.186 20 0 EGADMP CN(CC(=O)Nc1ccc2c(c1)nc1n2CCCCC1)C1CCC1 ZINC000629945499 460967109 /nfs/dbraw/zinc/96/71/09/460967109.db2.gz FGDAJWOFUYRZND-UHFFFAOYSA-N 2 1 326.444 3.186 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000635969543 460992684 /nfs/dbraw/zinc/99/26/84/460992684.db2.gz CIVZELQWVZGATJ-UHFFFAOYSA-N 2 1 346.519 3.120 20 0 EGADMP COCCC[N@H+](C)CCOc1ccc(-c2c[nH+]c3n2CCCC3)cc1 ZINC000630052780 461011709 /nfs/dbraw/zinc/01/17/09/461011709.db2.gz WHPUTCUPDVDRKZ-UHFFFAOYSA-N 2 1 343.471 3.234 20 0 EGADMP COCCC[N@@H+](C)CCOc1ccc(-c2c[nH+]c3n2CCCC3)cc1 ZINC000630052780 461011713 /nfs/dbraw/zinc/01/17/13/461011713.db2.gz WHPUTCUPDVDRKZ-UHFFFAOYSA-N 2 1 343.471 3.234 20 0 EGADMP Cc1ccc([C@H](C)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000628236418 461057129 /nfs/dbraw/zinc/05/71/29/461057129.db2.gz AFYUNJIUIYGPRO-XMSQKQJNSA-N 2 1 338.495 3.455 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000668147072 461133979 /nfs/dbraw/zinc/13/39/79/461133979.db2.gz YZJNZTGKUDMWMR-YJJAZYOBSA-N 2 1 332.488 3.157 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000668147072 461133987 /nfs/dbraw/zinc/13/39/87/461133987.db2.gz YZJNZTGKUDMWMR-YJJAZYOBSA-N 2 1 332.488 3.157 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000668147072 461133995 /nfs/dbraw/zinc/13/39/95/461133995.db2.gz YZJNZTGKUDMWMR-YJJAZYOBSA-N 2 1 332.488 3.157 20 0 EGADMP CCCOc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000668158310 461143131 /nfs/dbraw/zinc/14/31/31/461143131.db2.gz OYYZERSKJBCIMH-UHFFFAOYSA-N 2 1 347.547 3.242 20 0 EGADMP CCC[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000662256665 461143607 /nfs/dbraw/zinc/14/36/07/461143607.db2.gz MUQYMDMBESQISJ-XUVXKRRUSA-N 2 1 328.500 3.358 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)[C@@H]1CC[NH3+] ZINC000652354574 461149880 /nfs/dbraw/zinc/14/98/80/461149880.db2.gz CAMWJZXREXRIAX-YLJYHZDGSA-N 2 1 343.515 3.262 20 0 EGADMP C[N@H+]1CCC[C@@H]1CN1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000649546829 461166581 /nfs/dbraw/zinc/16/65/81/461166581.db2.gz BHPUVOXPTIZPTQ-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@@H]1CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000649546829 461166589 /nfs/dbraw/zinc/16/65/89/461166589.db2.gz BHPUVOXPTIZPTQ-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@@H]1CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000649546829 461166593 /nfs/dbraw/zinc/16/65/93/461166593.db2.gz BHPUVOXPTIZPTQ-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP Fc1ccccc1-c1noc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662292629 461169282 /nfs/dbraw/zinc/16/92/82/461169282.db2.gz GGLXAHKIZZWZMC-OAHLLOKOSA-N 2 1 344.434 3.087 20 0 EGADMP C[N@H+]1CCC[C@@H]1CN1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000649552039 461171438 /nfs/dbraw/zinc/17/14/38/461171438.db2.gz VDWIRKSUNZLNHY-NJYVYQBISA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1CCC[C@@H]1CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000649552039 461171443 /nfs/dbraw/zinc/17/14/43/461171443.db2.gz VDWIRKSUNZLNHY-NJYVYQBISA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1CCC[C@@H]1CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000649552039 461171450 /nfs/dbraw/zinc/17/14/50/461171450.db2.gz VDWIRKSUNZLNHY-NJYVYQBISA-N 2 1 327.516 3.067 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294551 461172877 /nfs/dbraw/zinc/17/28/77/461172877.db2.gz QSTPNYNAKFLTLJ-QGZVFWFLSA-N 2 1 347.478 3.174 20 0 EGADMP Cc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)no1 ZINC000662295671 461175841 /nfs/dbraw/zinc/17/58/41/461175841.db2.gz WHYJTXYVVKCVEK-QGZVFWFLSA-N 2 1 340.471 3.257 20 0 EGADMP Cc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)no1 ZINC000662295671 461175857 /nfs/dbraw/zinc/17/58/57/461175857.db2.gz WHYJTXYVVKCVEK-QGZVFWFLSA-N 2 1 340.471 3.257 20 0 EGADMP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)c3cnc(C)nc3C)C2)[nH+]1 ZINC000638006937 461190822 /nfs/dbraw/zinc/19/08/22/461190822.db2.gz MTWQEYNGOYZRPN-WBVHZDCISA-N 2 1 325.460 3.292 20 0 EGADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)c3cnc(C)nc3C)C2)[nH+]1 ZINC000638006937 461190831 /nfs/dbraw/zinc/19/08/31/461190831.db2.gz MTWQEYNGOYZRPN-WBVHZDCISA-N 2 1 325.460 3.292 20 0 EGADMP COc1cc(C)c([C@H](C)N2CCC([N@@H+](C)C[C@@H](C)O)CC2)cc1C ZINC000638048848 461215020 /nfs/dbraw/zinc/21/50/20/461215020.db2.gz UZJVAIBBUAEVDC-SJORKVTESA-N 2 1 334.504 3.150 20 0 EGADMP COc1cc(C)c([C@H](C)[NH+]2CCC([N@H+](C)C[C@@H](C)O)CC2)cc1C ZINC000638048848 461215027 /nfs/dbraw/zinc/21/50/27/461215027.db2.gz UZJVAIBBUAEVDC-SJORKVTESA-N 2 1 334.504 3.150 20 0 EGADMP COc1cc(C)c([C@H](C)[NH+]2CCC([N@@H+](C)C[C@@H](C)O)CC2)cc1C ZINC000638048848 461215031 /nfs/dbraw/zinc/21/50/31/461215031.db2.gz UZJVAIBBUAEVDC-SJORKVTESA-N 2 1 334.504 3.150 20 0 EGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(=O)[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000638064675 461222555 /nfs/dbraw/zinc/22/25/55/461222555.db2.gz NWIJAMAOXORKKT-QFBILLFUSA-N 2 1 325.456 3.272 20 0 EGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(=O)[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000638064675 461222563 /nfs/dbraw/zinc/22/25/63/461222563.db2.gz NWIJAMAOXORKKT-QFBILLFUSA-N 2 1 325.456 3.272 20 0 EGADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(=O)[nH]c2)CC[NH+]1Cc1ccccc1 ZINC000638064675 461222568 /nfs/dbraw/zinc/22/25/68/461222568.db2.gz NWIJAMAOXORKKT-QFBILLFUSA-N 2 1 325.456 3.272 20 0 EGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(=O)[nH]c2)CC[NH+]1Cc1ccccc1 ZINC000638064675 461222573 /nfs/dbraw/zinc/22/25/73/461222573.db2.gz NWIJAMAOXORKKT-QFBILLFUSA-N 2 1 325.456 3.272 20 0 EGADMP O=c1[nH]c2ccc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)cc2[nH]1 ZINC000641711705 461332165 /nfs/dbraw/zinc/33/21/65/461332165.db2.gz CXVNEDSLXYJQBD-UHFFFAOYSA-N 2 1 328.460 3.013 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2[NH2+]CCC2(C)C)cc1 ZINC000662675330 461343610 /nfs/dbraw/zinc/34/36/10/461343610.db2.gz LKKYVPPKSCSELG-QFBILLFUSA-N 2 1 343.515 3.065 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cccc3c2C[NH2+]C3)c1 ZINC000662695960 461348918 /nfs/dbraw/zinc/34/89/18/461348918.db2.gz RCWRMHHKPSXWAM-UHFFFAOYSA-N 2 1 337.467 3.060 20 0 EGADMP CCCOCc1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655695015 461367505 /nfs/dbraw/zinc/36/75/05/461367505.db2.gz OGDGLIGABNPOOX-OAQYLSRUSA-N 2 1 346.515 3.346 20 0 EGADMP FC(F)(F)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655697881 461369193 /nfs/dbraw/zinc/36/91/93/461369193.db2.gz RQDVXUZNSNXASM-INIZCTEOSA-N 2 1 328.378 3.048 20 0 EGADMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000638326458 461369757 /nfs/dbraw/zinc/36/97/57/461369757.db2.gz YGZOXGZAQNWXRS-MRXNPFEDSA-N 2 1 338.492 3.188 20 0 EGADMP COc1ccc2cc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)ccc2c1 ZINC000655698847 461370609 /nfs/dbraw/zinc/37/06/09/461370609.db2.gz XUDDLAYDQAKUFU-HXUWFJFHSA-N 2 1 340.467 3.191 20 0 EGADMP c1ccc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[C@H]2CCCO2)cc1 ZINC000655703077 461374412 /nfs/dbraw/zinc/37/44/12/461374412.db2.gz LIPOJXJXSLRWAE-NJYVYQBISA-N 2 1 344.499 3.140 20 0 EGADMP Cc1ccc(C[C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C)c1 ZINC000655710469 461380413 /nfs/dbraw/zinc/38/04/13/461380413.db2.gz BODQJCBRTJGCQF-GHTZIAJQSA-N 2 1 330.516 3.467 20 0 EGADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@@H]1[NH3+] ZINC000641805163 461380670 /nfs/dbraw/zinc/38/06/70/461380670.db2.gz MNSRGRZHYVNSAC-ZWKOTPCHSA-N 2 1 339.439 3.133 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000655712778 461383508 /nfs/dbraw/zinc/38/35/08/461383508.db2.gz UTRIVOSCEYLIBT-SJORKVTESA-N 2 1 328.435 3.036 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000655712778 461383513 /nfs/dbraw/zinc/38/35/13/461383513.db2.gz UTRIVOSCEYLIBT-SJORKVTESA-N 2 1 328.435 3.036 20 0 EGADMP COc1ccc([C@H](C)CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655715453 461384694 /nfs/dbraw/zinc/38/46/94/461384694.db2.gz KLJKADGFIIAYRZ-APWZRJJASA-N 2 1 332.488 3.032 20 0 EGADMP CCO[C@@H](CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCC1 ZINC000655717853 461386568 /nfs/dbraw/zinc/38/65/68/461386568.db2.gz DYOGNPNANMMJCC-PMACEKPBSA-N 2 1 338.536 3.205 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000638360959 461386770 /nfs/dbraw/zinc/38/67/70/461386770.db2.gz XOPLLPHMLGXWOX-NHCUHLMSSA-N 2 1 329.532 3.188 20 0 EGADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652870765 461393553 /nfs/dbraw/zinc/39/35/53/461393553.db2.gz JTUBUBDHIMBFSI-UHFFFAOYSA-N 2 1 344.484 3.018 20 0 EGADMP CC[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Oc1ccccc1C ZINC000655730804 461398496 /nfs/dbraw/zinc/39/84/96/461398496.db2.gz NEVZTLYHQCDFST-WOJBJXKFSA-N 2 1 346.515 3.385 20 0 EGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000655733073 461401156 /nfs/dbraw/zinc/40/11/56/461401156.db2.gz IUNPBJJYEUNRAJ-OALUTQOASA-N 2 1 336.520 3.101 20 0 EGADMP c1ccc(-c2cccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c2)nc1 ZINC000655734886 461403978 /nfs/dbraw/zinc/40/39/78/461403978.db2.gz OXGLULJHNPGNIJ-FQEVSTJZSA-N 2 1 337.467 3.092 20 0 EGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655757060 461422960 /nfs/dbraw/zinc/42/29/60/461422960.db2.gz APPRLRAOMGESRY-KRWDZBQOSA-N 2 1 342.405 3.357 20 0 EGADMP c1ccc([C@@H]2CCC[C@@H]2C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655771420 461436294 /nfs/dbraw/zinc/43/62/94/461436294.db2.gz KKDKXDIZVUFLQL-GIVPXCGWSA-N 2 1 328.500 3.413 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000659834505 461443911 /nfs/dbraw/zinc/44/39/11/461443911.db2.gz SYAFSGPZJQCNQI-LIRJPCNASA-N 2 1 341.543 3.295 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000659834505 461443918 /nfs/dbraw/zinc/44/39/18/461443918.db2.gz SYAFSGPZJQCNQI-LIRJPCNASA-N 2 1 341.543 3.295 20 0 EGADMP c1cc(CCC[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc2c1OCC2 ZINC000668818745 461451226 /nfs/dbraw/zinc/45/12/26/461451226.db2.gz KLWNIJVTGVMGQP-IBGZPJMESA-N 2 1 328.500 3.266 20 0 EGADMP Fc1ccccc1C1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1 ZINC000655792633 461451698 /nfs/dbraw/zinc/45/16/98/461451698.db2.gz NHIYTTFUYKCQAX-SFHVURJKSA-N 2 1 346.490 3.480 20 0 EGADMP CO[C@H](C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)CC(C)C ZINC000638523962 461466113 /nfs/dbraw/zinc/46/61/13/461466113.db2.gz KWSMBUUXQRLALZ-SFHVURJKSA-N 2 1 337.508 3.154 20 0 EGADMP Cc1noc(CCC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000638576046 461492262 /nfs/dbraw/zinc/49/22/62/461492262.db2.gz MGJPLUJGVNQBLB-MJGOQNOKSA-N 2 1 340.471 3.268 20 0 EGADMP Cc1noc(CCC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000638576046 461492265 /nfs/dbraw/zinc/49/22/65/461492265.db2.gz MGJPLUJGVNQBLB-MJGOQNOKSA-N 2 1 340.471 3.268 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3n2C)[C@@H](C)C1 ZINC000638594246 461497529 /nfs/dbraw/zinc/49/75/29/461497529.db2.gz DUNFZFKTQSFBNN-FXAWDEMLSA-N 2 1 343.515 3.405 20 0 EGADMP Brc1cccc2c1C[N@@H+](CC[C@H]1CCC[NH2+]C1)CCO2 ZINC000655949630 461547180 /nfs/dbraw/zinc/54/71/80/461547180.db2.gz ZUXGGVZJEXFFLF-CYBMUJFWSA-N 2 1 339.277 3.033 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000631108798 461557354 /nfs/dbraw/zinc/55/73/54/461557354.db2.gz SSHJQPRFJURTPM-UHFFFAOYSA-N 2 1 329.669 3.454 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000663347074 461577874 /nfs/dbraw/zinc/57/78/74/461577874.db2.gz ZCINKIYLZBWBTN-COPCDDAFSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000663347074 461577882 /nfs/dbraw/zinc/57/78/82/461577882.db2.gz ZCINKIYLZBWBTN-COPCDDAFSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000663347074 461577891 /nfs/dbraw/zinc/57/78/91/461577891.db2.gz ZCINKIYLZBWBTN-COPCDDAFSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CN1Cc1ccccc1 ZINC000663347074 461577897 /nfs/dbraw/zinc/57/78/97/461577897.db2.gz ZCINKIYLZBWBTN-COPCDDAFSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CN1Cc1ccccc1 ZINC000663347074 461577899 /nfs/dbraw/zinc/57/78/99/461577899.db2.gz ZCINKIYLZBWBTN-COPCDDAFSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@H]1C[C@@H](CC[NH2+]CCCc2cnn(C)c2)C[N@H+]1Cc1ccccc1 ZINC000638797395 461584353 /nfs/dbraw/zinc/58/43/53/461584353.db2.gz QSYXPFQSSAPLKH-AZUAARDMSA-N 2 1 340.515 3.243 20 0 EGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000647290016 461615116 /nfs/dbraw/zinc/61/51/16/461615116.db2.gz SPVWBYKNARSVGI-FUHWJXTLSA-N 2 1 338.442 3.037 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000647290016 461615125 /nfs/dbraw/zinc/61/51/25/461615125.db2.gz SPVWBYKNARSVGI-FUHWJXTLSA-N 2 1 338.442 3.037 20 0 EGADMP CCNC(=O)[C@H](C)NC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638846870 461615139 /nfs/dbraw/zinc/61/51/39/461615139.db2.gz FQWNDUGMKHRISY-UWJYYQICSA-N 2 1 345.531 3.039 20 0 EGADMP CCNC(=O)[C@H](C)[NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638846870 461615144 /nfs/dbraw/zinc/61/51/44/461615144.db2.gz FQWNDUGMKHRISY-UWJYYQICSA-N 2 1 345.531 3.039 20 0 EGADMP CCNC(=O)[C@H](C)[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638846870 461615151 /nfs/dbraw/zinc/61/51/51/461615151.db2.gz FQWNDUGMKHRISY-UWJYYQICSA-N 2 1 345.531 3.039 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn(C)nc1C(F)F ZINC000631195953 461637530 /nfs/dbraw/zinc/63/75/30/461637530.db2.gz LHIKKAHXQWBWSH-ZBFHGGJFSA-N 2 1 348.441 3.215 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn(C)nc1C(F)F ZINC000631195953 461637536 /nfs/dbraw/zinc/63/75/36/461637536.db2.gz LHIKKAHXQWBWSH-ZBFHGGJFSA-N 2 1 348.441 3.215 20 0 EGADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467553 461658064 /nfs/dbraw/zinc/65/80/64/461658064.db2.gz GRVKEEICENCYCH-LPHOPBHVSA-N 2 1 344.499 3.448 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663469513 461659633 /nfs/dbraw/zinc/65/96/33/461659633.db2.gz PYFFDAHSGIVCDF-LPHOPBHVSA-N 2 1 346.515 3.346 20 0 EGADMP CCn1nccc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000663471744 461662738 /nfs/dbraw/zinc/66/27/38/461662738.db2.gz WKFLCPLIDYCILW-SESVDKBCSA-N 2 1 338.499 3.293 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(N2CCCC2)n1 ZINC000643471242 461738312 /nfs/dbraw/zinc/73/83/12/461738312.db2.gz IGHLFPYQFVWHMY-IPMKNSEASA-N 2 1 328.504 3.001 20 0 EGADMP CC(C)(C)[C@@]1(C[NH+]2CCC(O)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000637859269 461742617 /nfs/dbraw/zinc/74/26/17/461742617.db2.gz COALLVRXXCYKKF-OAQYLSRUSA-N 2 1 330.516 3.382 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3CC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000643497159 461746841 /nfs/dbraw/zinc/74/68/41/461746841.db2.gz HKAXZNSOOCPHJR-PCCBWWKXSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(CN2CC[C@H]([NH2+]CC3CC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000643497159 461746850 /nfs/dbraw/zinc/74/68/50/461746850.db2.gz HKAXZNSOOCPHJR-PCCBWWKXSA-N 2 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3CC[NH2+]CC3)[C@H]3CCC[C@H]32)cc1 ZINC000643497160 461747077 /nfs/dbraw/zinc/74/70/77/461747077.db2.gz HKAXZNSOOCPHJR-QHAWAJNXSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(CN2CC[C@H]([NH2+]CC3CC[NH2+]CC3)[C@H]3CCC[C@H]32)cc1 ZINC000643497160 461747083 /nfs/dbraw/zinc/74/70/83/461747083.db2.gz HKAXZNSOOCPHJR-QHAWAJNXSA-N 2 1 327.516 3.019 20 0 EGADMP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522668 461753040 /nfs/dbraw/zinc/75/30/40/461753040.db2.gz RJYPCEHRAMAQDG-YGRLFVJLSA-N 2 1 327.241 3.307 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[NH2+]CC3)[C@H]3CCC[C@H]32)cc1 ZINC000643522760 461753053 /nfs/dbraw/zinc/75/30/53/461753053.db2.gz CQCDEMDHSRSNAM-MXEMCNAFSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)[C@H]3CCC[C@H]32)cc1 ZINC000643522760 461753060 /nfs/dbraw/zinc/75/30/60/461753060.db2.gz CQCDEMDHSRSNAM-MXEMCNAFSA-N 3 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)[C@H]3CCC[C@H]32)cc1 ZINC000643522760 461753065 /nfs/dbraw/zinc/75/30/65/461753065.db2.gz CQCDEMDHSRSNAM-MXEMCNAFSA-N 3 1 327.516 3.161 20 0 EGADMP Cn1c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc2ccc(Cl)cc21 ZINC000647543557 461756236 /nfs/dbraw/zinc/75/62/36/461756236.db2.gz PLAKDXICPJYMJX-CABCVRRESA-N 2 1 346.906 3.438 20 0 EGADMP COCCCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543381 461756262 /nfs/dbraw/zinc/75/62/62/461756262.db2.gz MDDMGTCGGQBEDY-PMACEKPBSA-N 2 1 346.515 3.314 20 0 EGADMP c1nc([C@@H]2CCCO2)sc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543214 461757656 /nfs/dbraw/zinc/75/76/56/461757656.db2.gz JMJSTTVRWHPOCY-UXLLHSPISA-N 2 1 335.517 3.206 20 0 EGADMP Cc1cc(CO)cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[nH+]1 ZINC000663694329 461760301 /nfs/dbraw/zinc/76/03/01/461760301.db2.gz PZXRYNYWGIVYCR-BEFAXECRSA-N 2 1 325.456 3.205 20 0 EGADMP Cc1cc(CO)cc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[nH+]1 ZINC000663694329 461760308 /nfs/dbraw/zinc/76/03/08/461760308.db2.gz PZXRYNYWGIVYCR-BEFAXECRSA-N 2 1 325.456 3.205 20 0 EGADMP COc1cccc(C)c1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000639184913 461790748 /nfs/dbraw/zinc/79/07/48/461790748.db2.gz ACGPJCYRZPGWFP-UHFFFAOYSA-N 2 1 343.471 3.019 20 0 EGADMP Cc1nccnc1CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639208807 461804726 /nfs/dbraw/zinc/80/47/26/461804726.db2.gz DQMJBYJLSCQDGJ-GHTZIAJQSA-N 2 1 336.483 3.285 20 0 EGADMP Cc1nccnc1CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639208807 461804731 /nfs/dbraw/zinc/80/47/31/461804731.db2.gz DQMJBYJLSCQDGJ-GHTZIAJQSA-N 2 1 336.483 3.285 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)C1 ZINC000647788979 461835725 /nfs/dbraw/zinc/83/57/25/461835725.db2.gz WIAGPFYFIIKBSB-HLRQEUIKSA-N 3 1 341.543 3.396 20 0 EGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000660550092 461848907 /nfs/dbraw/zinc/84/89/07/461848907.db2.gz SXCRDOOSFBGVGZ-ZBFHGGJFSA-N 2 1 346.437 3.269 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000660550092 461848910 /nfs/dbraw/zinc/84/89/10/461848910.db2.gz SXCRDOOSFBGVGZ-ZBFHGGJFSA-N 2 1 346.437 3.269 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000660550092 461848916 /nfs/dbraw/zinc/84/89/16/461848916.db2.gz SXCRDOOSFBGVGZ-ZBFHGGJFSA-N 2 1 346.437 3.269 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000660550092 461848923 /nfs/dbraw/zinc/84/89/23/461848923.db2.gz SXCRDOOSFBGVGZ-ZBFHGGJFSA-N 2 1 346.437 3.269 20 0 EGADMP Clc1cccc(-c2noc(CC[N@H+](C3CC3)C3CC[NH2+]CC3)n2)c1 ZINC000647815213 461849682 /nfs/dbraw/zinc/84/96/82/461849682.db2.gz URMZDORGHMTHJC-UHFFFAOYSA-N 2 1 346.862 3.149 20 0 EGADMP Clc1cccc(-c2noc(CC[N@@H+](C3CC3)C3CC[NH2+]CC3)n2)c1 ZINC000647815213 461849688 /nfs/dbraw/zinc/84/96/88/461849688.db2.gz URMZDORGHMTHJC-UHFFFAOYSA-N 2 1 346.862 3.149 20 0 EGADMP Cn1c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc2cc(Cl)ccc21 ZINC000656784885 461894335 /nfs/dbraw/zinc/89/43/35/461894335.db2.gz HZGURTDXBKCNEO-OAHLLOKOSA-N 2 1 346.906 3.438 20 0 EGADMP CC(C)(C)c1ncc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650706325 461899795 /nfs/dbraw/zinc/89/97/95/461899795.db2.gz IUCMASZUXZZYJQ-OFQRWUPVSA-N 2 1 337.533 3.159 20 0 EGADMP COc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1OCc1cccnc1 ZINC000656788817 461900131 /nfs/dbraw/zinc/90/01/31/461900131.db2.gz CVCUNBSCAXZEIW-UHFFFAOYSA-N 2 1 341.455 3.030 20 0 EGADMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707335 461901772 /nfs/dbraw/zinc/90/17/72/461901772.db2.gz CXKTZLUFFKGJCQ-RZQQEMMASA-N 2 1 328.456 3.460 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(SC)cc1OC ZINC000666996808 461904526 /nfs/dbraw/zinc/90/45/26/461904526.db2.gz GMMNNERZYKYZPI-AWEZNQCLSA-N 2 1 336.501 3.190 20 0 EGADMP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc(Cl)c1OC ZINC000650711361 461904964 /nfs/dbraw/zinc/90/49/64/461904964.db2.gz QWZHRGUHNJTDTJ-IUODEOHRSA-N 2 1 326.868 3.307 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc(Cl)c1OC ZINC000650711361 461904968 /nfs/dbraw/zinc/90/49/68/461904968.db2.gz QWZHRGUHNJTDTJ-IUODEOHRSA-N 2 1 326.868 3.307 20 0 EGADMP Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656044 461907213 /nfs/dbraw/zinc/90/72/13/461907213.db2.gz PHWSLNWVDIUELN-OAQYLSRUSA-N 2 1 343.515 3.440 20 0 EGADMP Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656044 461907218 /nfs/dbraw/zinc/90/72/18/461907218.db2.gz PHWSLNWVDIUELN-OAQYLSRUSA-N 2 1 343.515 3.440 20 0 EGADMP Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656044 461907222 /nfs/dbraw/zinc/90/72/22/461907222.db2.gz PHWSLNWVDIUELN-OAQYLSRUSA-N 2 1 343.515 3.440 20 0 EGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1ccccc1Cl)C2 ZINC000660655411 461907639 /nfs/dbraw/zinc/90/76/39/461907639.db2.gz MCNMZLIMNFWLKX-GOSISDBHSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)Nc1ccccc1Cl)C2 ZINC000660655411 461907644 /nfs/dbraw/zinc/90/76/44/461907644.db2.gz MCNMZLIMNFWLKX-GOSISDBHSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)Nc1ccccc1Cl)C2 ZINC000660655411 461907652 /nfs/dbraw/zinc/90/76/52/461907652.db2.gz MCNMZLIMNFWLKX-GOSISDBHSA-N 2 1 335.879 3.086 20 0 EGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000647960638 461910840 /nfs/dbraw/zinc/91/08/40/461910840.db2.gz AYGDBGGZQUCSFC-RBBKRZOGSA-N 2 1 338.495 3.335 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000647960638 461910847 /nfs/dbraw/zinc/91/08/47/461910847.db2.gz AYGDBGGZQUCSFC-RBBKRZOGSA-N 2 1 338.495 3.335 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000647960638 461910852 /nfs/dbraw/zinc/91/08/52/461910852.db2.gz AYGDBGGZQUCSFC-RBBKRZOGSA-N 2 1 338.495 3.335 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000647960638 461910859 /nfs/dbraw/zinc/91/08/59/461910859.db2.gz AYGDBGGZQUCSFC-RBBKRZOGSA-N 2 1 338.495 3.335 20 0 EGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723214 461914010 /nfs/dbraw/zinc/91/40/10/461914010.db2.gz JGWILRXXJJGBPT-QXAKKESOSA-N 2 1 348.535 3.116 20 0 EGADMP CC(C)Oc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650723758 461916235 /nfs/dbraw/zinc/91/62/35/461916235.db2.gz SXTGZEQEHXQZOI-DFQSSKMNSA-N 2 1 332.488 3.335 20 0 EGADMP COc1ccc2oc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)cc2c1 ZINC000650723878 461916487 /nfs/dbraw/zinc/91/64/87/461916487.db2.gz VHYQIZIWZCWITN-QKYXUNIQSA-N 2 1 344.455 3.302 20 0 EGADMP CC1(C)Cc2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)ccc2O1 ZINC000650723917 461916778 /nfs/dbraw/zinc/91/67/78/461916778.db2.gz VTYSIHROIQMPFI-NSHGMRRFSA-N 2 1 344.499 3.261 20 0 EGADMP c1cc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)cs1 ZINC000647976959 461919172 /nfs/dbraw/zinc/91/91/72/461919172.db2.gz WJHXPMHLIVCCTK-KGLIPLIRSA-N 2 1 332.473 3.010 20 0 EGADMP c1ccc(CCOCCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647978269 461920118 /nfs/dbraw/zinc/92/01/18/461920118.db2.gz PDUYKVLTKQZJMO-NHCUHLMSSA-N 2 1 330.516 3.347 20 0 EGADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679896 461922664 /nfs/dbraw/zinc/92/26/64/461922664.db2.gz QUFHKAJRTPWWLF-XMSQKQJNSA-N 2 1 338.495 3.405 20 0 EGADMP COc1ccc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C2CCCCC2)cc1OC ZINC000647991290 461926547 /nfs/dbraw/zinc/92/65/47/461926547.db2.gz WGSDZIVYGONRGJ-QGZVFWFLSA-N 2 1 332.488 3.448 20 0 EGADMP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H](OC(C)C)c2ccccc2)CC1 ZINC000660697964 461929072 /nfs/dbraw/zinc/92/90/72/461929072.db2.gz LTCVRHPJGIDSRS-HXUWFJFHSA-N 2 1 348.531 3.225 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC000650742117 461929507 /nfs/dbraw/zinc/92/95/07/461929507.db2.gz RITSHSGFWIITMS-RDTXWAMCSA-N 2 1 329.419 3.491 20 0 EGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644543853 461977983 /nfs/dbraw/zinc/97/79/83/461977983.db2.gz CWGYFODJNRIXKG-LEWJYISDSA-N 2 1 326.484 3.090 20 0 EGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644543853 461977991 /nfs/dbraw/zinc/97/79/91/461977991.db2.gz CWGYFODJNRIXKG-LEWJYISDSA-N 2 1 326.484 3.090 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657311650 462036558 /nfs/dbraw/zinc/03/65/58/462036558.db2.gz QKEFMDSQNBJHRL-KRWDZBQOSA-N 3 1 338.499 3.351 20 0 EGADMP C[C@H]1CCC[N@H+](Cc2ccccc2CNCc2cnc3n2CCC3)C1 ZINC000657311650 462036565 /nfs/dbraw/zinc/03/65/65/462036565.db2.gz QKEFMDSQNBJHRL-KRWDZBQOSA-N 3 1 338.499 3.351 20 0 EGADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000651130774 462099332 /nfs/dbraw/zinc/09/93/32/462099332.db2.gz MZBHOOXAPKWODP-AVRDEDQJSA-N 2 1 338.495 3.405 20 0 EGADMP CCc1[nH+]c2ccccc2c(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1C ZINC000664596641 462119235 /nfs/dbraw/zinc/11/92/35/462119235.db2.gz JXAWCNRYVTXZBD-QGZVFWFLSA-N 2 1 339.483 3.141 20 0 EGADMP COc1ccc(C[C@H]2CCC[N@@H+](Cc3cnc4n3CCC4)C2)cc1 ZINC000667621020 462177026 /nfs/dbraw/zinc/17/70/26/462177026.db2.gz XKUNLDHBGVMVAQ-QGZVFWFLSA-N 2 1 325.456 3.293 20 0 EGADMP CCn1nccc1[C@@H]1OCCC[C@H]1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000667664603 462198313 /nfs/dbraw/zinc/19/83/13/462198313.db2.gz OUZWHOAYLBGQGA-DOADOZAASA-N 2 1 348.535 3.175 20 0 EGADMP CCn1nccc1[C@@H]1OCCC[C@H]1C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000667664603 462198318 /nfs/dbraw/zinc/19/83/18/462198318.db2.gz OUZWHOAYLBGQGA-DOADOZAASA-N 2 1 348.535 3.175 20 0 EGADMP CCn1nccc1[C@@H]1OCCC[C@H]1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000667664603 462198323 /nfs/dbraw/zinc/19/83/23/462198323.db2.gz OUZWHOAYLBGQGA-DOADOZAASA-N 2 1 348.535 3.175 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@H]3CCOC3)cc2)C[C@@H]1C ZINC000667664831 462199786 /nfs/dbraw/zinc/19/97/86/462199786.db2.gz UENOTVZBGOTSHP-QRFRQXIXSA-N 2 1 332.488 3.159 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(O[C@H]3CCOC3)cc2)C[C@@H]1C ZINC000667664831 462199790 /nfs/dbraw/zinc/19/97/90/462199790.db2.gz UENOTVZBGOTSHP-QRFRQXIXSA-N 2 1 332.488 3.159 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(O[C@H]3CCOC3)cc2)C[C@@H]1C ZINC000667664831 462199795 /nfs/dbraw/zinc/19/97/95/462199795.db2.gz UENOTVZBGOTSHP-QRFRQXIXSA-N 2 1 332.488 3.159 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667677392 462208206 /nfs/dbraw/zinc/20/82/06/462208206.db2.gz QOSUSMQRJJDJFW-UYAOXDASSA-N 2 1 332.488 3.018 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667677392 462208213 /nfs/dbraw/zinc/20/82/13/462208213.db2.gz QOSUSMQRJJDJFW-UYAOXDASSA-N 2 1 332.488 3.018 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667677392 462208219 /nfs/dbraw/zinc/20/82/19/462208219.db2.gz QOSUSMQRJJDJFW-UYAOXDASSA-N 2 1 332.488 3.018 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667677392 462208225 /nfs/dbraw/zinc/20/82/25/462208225.db2.gz QOSUSMQRJJDJFW-UYAOXDASSA-N 2 1 332.488 3.018 20 0 EGADMP c1nc2n(c1C[N@@H+]1CC[C@H](OCCCc3ccccc3)C1)CCC2 ZINC000667687853 462214443 /nfs/dbraw/zinc/21/44/43/462214443.db2.gz ZFXVOUUTGLQMTH-IBGZPJMESA-N 2 1 325.456 3.053 20 0 EGADMP c1nc2n(c1CN1CC[C@H](OCCCc3ccccc3)C1)CCC2 ZINC000667687853 462214447 /nfs/dbraw/zinc/21/44/47/462214447.db2.gz ZFXVOUUTGLQMTH-IBGZPJMESA-N 2 1 325.456 3.053 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)CC[N@H+]1C ZINC000648736160 462252299 /nfs/dbraw/zinc/25/22/99/462252299.db2.gz KOOKLXSSBFYNEL-MBOZVWFJSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000648736160 462252302 /nfs/dbraw/zinc/25/23/02/462252302.db2.gz KOOKLXSSBFYNEL-MBOZVWFJSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000648736160 462252307 /nfs/dbraw/zinc/25/23/07/462252307.db2.gz KOOKLXSSBFYNEL-MBOZVWFJSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[N@H+]1C ZINC000648755674 462264068 /nfs/dbraw/zinc/26/40/68/462264068.db2.gz PJJGHJXEXMAIJB-YLJYHZDGSA-N 2 1 343.515 3.019 20 0 EGADMP Cc1cc(NC(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)cn2cc[nH+]c12 ZINC000640157882 462287676 /nfs/dbraw/zinc/28/76/76/462287676.db2.gz HGGBGPPJWMRIPD-WBVHZDCISA-N 2 1 343.475 3.227 20 0 EGADMP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000657874053 462303919 /nfs/dbraw/zinc/30/39/19/462303919.db2.gz XYFTZZRLDKPENZ-LJQANCHMSA-N 2 1 343.559 3.114 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657992316 462339746 /nfs/dbraw/zinc/33/97/46/462339746.db2.gz GWSWGRMFQKSXMN-KBPBESRZSA-N 2 1 327.419 3.171 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657992316 462339749 /nfs/dbraw/zinc/33/97/49/462339749.db2.gz GWSWGRMFQKSXMN-KBPBESRZSA-N 2 1 327.419 3.171 20 0 EGADMP COc1cc(C)[nH+]c(CN2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC000661642348 462344761 /nfs/dbraw/zinc/34/47/61/462344761.db2.gz DZRNVEUCIZWEEQ-HXUWFJFHSA-N 2 1 339.483 3.147 20 0 EGADMP COc1cc(C)[nH+]c(CN2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000661642348 462344764 /nfs/dbraw/zinc/34/47/64/462344764.db2.gz DZRNVEUCIZWEEQ-HXUWFJFHSA-N 2 1 339.483 3.147 20 0 EGADMP c1cnc(N2CCCC2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000665236788 462363031 /nfs/dbraw/zinc/36/30/31/462363031.db2.gz UGLJNOOAOYZTCO-GUDVDZBRSA-N 2 1 328.504 3.082 20 0 EGADMP CCCN(C(=O)c1ccc(C[NH+](CC)C(C)C)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000649001991 462366889 /nfs/dbraw/zinc/36/68/89/462366889.db2.gz YZCAKGVJDQUNKT-HXUWFJFHSA-N 2 1 345.531 3.473 20 0 EGADMP CCCN(C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)[C@@H]1CC[NH+](C)C1 ZINC000649001991 462366892 /nfs/dbraw/zinc/36/68/92/462366892.db2.gz YZCAKGVJDQUNKT-HXUWFJFHSA-N 2 1 345.531 3.473 20 0 EGADMP CCCN(C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1)[C@@H]1CC[NH+](C)C1 ZINC000649001991 462366895 /nfs/dbraw/zinc/36/68/95/462366895.db2.gz YZCAKGVJDQUNKT-HXUWFJFHSA-N 2 1 345.531 3.473 20 0 EGADMP c1ccc([C@@H]2C[C@@H](NC[C@H]3CCC[N@@H+](CC4CC4)C3)CC[NH2+]2)cc1 ZINC000665299670 462391673 /nfs/dbraw/zinc/39/16/73/462391673.db2.gz RBEKVVXIJUTFAH-GIVPXCGWSA-N 3 1 327.516 3.191 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1(CO)CC1 ZINC000658157338 462409657 /nfs/dbraw/zinc/40/96/57/462409657.db2.gz YPKRJVGHTGEGCE-MTFMMBMASA-N 2 1 328.500 3.038 20 0 EGADMP Cc1cccc(NC(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)c1C ZINC000640531242 462430184 /nfs/dbraw/zinc/43/01/84/462430184.db2.gz NENKZSMMJFXDHS-UHFFFAOYSA-N 2 1 331.504 3.440 20 0 EGADMP Cc1cccc(NC(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)c1C ZINC000640531242 462430190 /nfs/dbraw/zinc/43/01/90/462430190.db2.gz NENKZSMMJFXDHS-UHFFFAOYSA-N 2 1 331.504 3.440 20 0 EGADMP c1cn([C@H]2CCC[N@@H+](Cc3ccn(CCc4ccccc4)n3)C2)cn1 ZINC000649287317 462466609 /nfs/dbraw/zinc/46/66/09/462466609.db2.gz NPWNVTLCGBLLCZ-FQEVSTJZSA-N 2 1 335.455 3.159 20 0 EGADMP c1cn([C@H]2CCC[N@H+](Cc3ccn(CCc4ccccc4)n3)C2)cn1 ZINC000649287317 462466612 /nfs/dbraw/zinc/46/66/12/462466612.db2.gz NPWNVTLCGBLLCZ-FQEVSTJZSA-N 2 1 335.455 3.159 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)c(F)c(F)c1 ZINC000132941331 533809274 /nfs/dbraw/zinc/80/92/74/533809274.db2.gz XLIJTZAGHPOSFL-QWHCGFSZSA-N 2 1 342.405 3.255 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc2ccccc2n1 ZINC000178470501 533810530 /nfs/dbraw/zinc/81/05/30/533810530.db2.gz QFJQWRNSVSFSTB-DLBZAZTESA-N 2 1 339.483 3.386 20 0 EGADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@H](C)c1nc2ccccc2s1 ZINC000168306735 533834191 /nfs/dbraw/zinc/83/41/91/533834191.db2.gz NJACCMGKFAERCV-GJZGRUSLSA-N 2 1 347.528 3.489 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccsc1 ZINC000178414872 533917858 /nfs/dbraw/zinc/91/78/58/533917858.db2.gz HXKVOIGIVONPIA-INIZCTEOSA-N 2 1 329.513 3.346 20 0 EGADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)o1 ZINC000180998169 534052822 /nfs/dbraw/zinc/05/28/22/534052822.db2.gz NKRAZFVKMIIORT-MOXGXCLJSA-N 2 1 340.467 3.259 20 0 EGADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)o1 ZINC000180998169 534052815 /nfs/dbraw/zinc/05/28/15/534052815.db2.gz NKRAZFVKMIIORT-MOXGXCLJSA-N 2 1 340.467 3.259 20 0 EGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181308654 534248330 /nfs/dbraw/zinc/24/83/30/534248330.db2.gz HJIZQVCTTVBQMB-GZBFAFLISA-N 2 1 325.294 3.452 20 0 EGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181308654 534248337 /nfs/dbraw/zinc/24/83/37/534248337.db2.gz HJIZQVCTTVBQMB-GZBFAFLISA-N 2 1 325.294 3.452 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000131184900 527964292 /nfs/dbraw/zinc/96/42/92/527964292.db2.gz PHHDVTSEIFTBQE-GOSISDBHSA-N 3 1 347.547 3.398 20 0 EGADMP CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178077970 528010422 /nfs/dbraw/zinc/01/04/22/528010422.db2.gz JFNHTXHZYIMBFG-INIZCTEOSA-N 2 1 342.487 3.480 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)Nc1ccc(F)cc1 ZINC000191484073 528863646 /nfs/dbraw/zinc/86/36/46/528863646.db2.gz SRMGRBVBFPIJPM-UHFFFAOYSA-N 2 1 346.450 3.325 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)Nc1ccc(F)cc1 ZINC000191484073 528863652 /nfs/dbraw/zinc/86/36/52/528863652.db2.gz SRMGRBVBFPIJPM-UHFFFAOYSA-N 2 1 346.450 3.325 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)c1c(F)cccc1F ZINC000191471260 528863859 /nfs/dbraw/zinc/86/38/59/528863859.db2.gz IKNLYIDACGHFTL-INIZCTEOSA-N 2 1 337.414 3.169 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)c1c(F)cccc1F ZINC000191471260 528863864 /nfs/dbraw/zinc/86/38/64/528863864.db2.gz IKNLYIDACGHFTL-INIZCTEOSA-N 2 1 337.414 3.169 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000191501380 528865505 /nfs/dbraw/zinc/86/55/05/528865505.db2.gz ABWHDFXDVYVZBF-OAHLLOKOSA-N 2 1 346.450 3.324 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000191501380 528865507 /nfs/dbraw/zinc/86/55/07/528865507.db2.gz ABWHDFXDVYVZBF-OAHLLOKOSA-N 2 1 346.450 3.324 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C(=O)OC)c(F)c1 ZINC000191507856 528865881 /nfs/dbraw/zinc/86/58/81/528865881.db2.gz PPNIRAKNZKKRBG-UHFFFAOYSA-N 2 1 347.434 3.283 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C(=O)OC)c(F)c1 ZINC000191507856 528865886 /nfs/dbraw/zinc/86/58/86/528865886.db2.gz PPNIRAKNZKKRBG-UHFFFAOYSA-N 2 1 347.434 3.283 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000191395561 529041366 /nfs/dbraw/zinc/04/13/66/529041366.db2.gz HJCNWBKXYTZKRN-NRFANRHFSA-N 2 1 329.532 3.110 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159355339 529340718 /nfs/dbraw/zinc/34/07/18/529340718.db2.gz UIIKFXGRJXWORO-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1(C)C ZINC000185190130 534929165 /nfs/dbraw/zinc/92/91/65/534929165.db2.gz SOHZHGMVTPGGQD-UXHICEINSA-N 2 1 346.515 3.201 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000246854805 534958928 /nfs/dbraw/zinc/95/89/28/534958928.db2.gz CRGOLICRHGGMCK-IAGOWNOFSA-N 2 1 329.488 3.196 20 0 EGADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC000354602893 535556581 /nfs/dbraw/zinc/55/65/81/535556581.db2.gz PSQVEVJBVUTUJC-IBGZPJMESA-N 2 1 347.503 3.220 20 0 EGADMP CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000338046321 535589056 /nfs/dbraw/zinc/58/90/56/535589056.db2.gz BTLOZXIECCOBLJ-INIZCTEOSA-N 2 1 331.504 3.131 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCC[NH+](CC)C2)cc1)C1CC1 ZINC000338066756 535782111 /nfs/dbraw/zinc/78/21/11/535782111.db2.gz GMNBPJJYNXLAKC-SFHVURJKSA-N 2 1 343.515 3.133 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC)C2)cc1)C1CC1 ZINC000338066756 535782116 /nfs/dbraw/zinc/78/21/16/535782116.db2.gz GMNBPJJYNXLAKC-SFHVURJKSA-N 2 1 343.515 3.133 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)cc1)C1CC1 ZINC000338066756 535782122 /nfs/dbraw/zinc/78/21/22/535782122.db2.gz GMNBPJJYNXLAKC-SFHVURJKSA-N 2 1 343.515 3.133 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000265024786 535944924 /nfs/dbraw/zinc/94/49/24/535944924.db2.gz TVHKGFBSVSEYRW-IBGZPJMESA-N 2 1 325.456 3.044 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000265024786 535944932 /nfs/dbraw/zinc/94/49/32/535944932.db2.gz TVHKGFBSVSEYRW-IBGZPJMESA-N 2 1 325.456 3.044 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1nc(-c2ccccc2)no1 ZINC000090911267 546660581 /nfs/dbraw/zinc/66/05/81/546660581.db2.gz CIEAYBGONLGCPO-DJIMGWMZSA-N 2 1 326.444 3.057 20 0 EGADMP COC[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000093338140 546684862 /nfs/dbraw/zinc/68/48/62/546684862.db2.gz LFJYMVWOFKZNRQ-IBGZPJMESA-N 2 1 332.488 3.020 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000121430418 546724900 /nfs/dbraw/zinc/72/49/00/546724900.db2.gz FZMYXWFVERHOCZ-HUUCEWRRSA-N 2 1 342.443 3.135 20 0 EGADMP CCC[NH+]1CCC(NC[C@H](CC)[N@H+]2CCc3ccccc3C2)CC1 ZINC000123088752 546737644 /nfs/dbraw/zinc/73/76/44/546737644.db2.gz RELJSDMWSKKKHS-NRFANRHFSA-N 2 1 329.532 3.287 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@H](CC)N2CCc3ccccc3C2)CC1 ZINC000123088752 546737649 /nfs/dbraw/zinc/73/76/49/546737649.db2.gz RELJSDMWSKKKHS-NRFANRHFSA-N 2 1 329.532 3.287 20 0 EGADMP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166039420 546987416 /nfs/dbraw/zinc/98/74/16/546987416.db2.gz UATDODAKWUSSOA-NHCUHLMSSA-N 2 1 327.516 3.389 20 0 EGADMP c1cc(C[NH+]2CCCCC2)ccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166039420 546987420 /nfs/dbraw/zinc/98/74/20/546987420.db2.gz UATDODAKWUSSOA-NHCUHLMSSA-N 2 1 327.516 3.389 20 0 EGADMP c1cc(C[NH+]2CCCCC2)ccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166039420 546987426 /nfs/dbraw/zinc/98/74/26/546987426.db2.gz UATDODAKWUSSOA-NHCUHLMSSA-N 2 1 327.516 3.389 20 0 EGADMP COc1ccccc1[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCCC1 ZINC000339067842 547568973 /nfs/dbraw/zinc/56/89/73/547568973.db2.gz JMBYSRPTJQBOLI-HBFSDRIKSA-N 2 1 343.515 3.049 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCCC1 ZINC000339067842 547568975 /nfs/dbraw/zinc/56/89/75/547568975.db2.gz JMBYSRPTJQBOLI-HBFSDRIKSA-N 2 1 343.515 3.049 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCCC1 ZINC000339067842 547568979 /nfs/dbraw/zinc/56/89/79/547568979.db2.gz JMBYSRPTJQBOLI-HBFSDRIKSA-N 2 1 343.515 3.049 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000352793150 547687258 /nfs/dbraw/zinc/68/72/58/547687258.db2.gz KZFBSYPAGYRFOO-KRWDZBQOSA-N 2 1 334.529 3.486 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000371258072 547798748 /nfs/dbraw/zinc/79/87/48/547798748.db2.gz KSFRGIZFKXIZOW-SJORKVTESA-N 2 1 348.491 3.055 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000371258072 547798750 /nfs/dbraw/zinc/79/87/50/547798750.db2.gz KSFRGIZFKXIZOW-SJORKVTESA-N 2 1 348.491 3.055 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)cn1 ZINC000374205315 547804525 /nfs/dbraw/zinc/80/45/25/547804525.db2.gz OQYWVQYQQCHZJT-INIZCTEOSA-N 2 1 343.434 3.314 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390423888 547827157 /nfs/dbraw/zinc/82/71/57/547827157.db2.gz SYOQKTWUMPWAJO-XLIONFOSSA-N 2 1 326.488 3.332 20 0 EGADMP CO[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000441375351 547914644 /nfs/dbraw/zinc/91/46/44/547914644.db2.gz HXIRXQRACJRKKI-SEXKYXSUSA-N 2 1 326.525 3.155 20 0 EGADMP CO[C@@H]1CC[N@@H+](CCCCC[NH+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000441375351 547914648 /nfs/dbraw/zinc/91/46/48/547914648.db2.gz HXIRXQRACJRKKI-SEXKYXSUSA-N 2 1 326.525 3.155 20 0 EGADMP CO[C@@H]1CC[N@H+](CCCCC[NH+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000441375351 547914653 /nfs/dbraw/zinc/91/46/53/547914653.db2.gz HXIRXQRACJRKKI-SEXKYXSUSA-N 2 1 326.525 3.155 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N(C)C)nc1 ZINC000675743437 548972347 /nfs/dbraw/zinc/97/23/47/548972347.db2.gz KCNSXPPWWOPYNF-FXAWDEMLSA-N 2 1 338.499 3.148 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000676530385 549106697 /nfs/dbraw/zinc/10/66/97/549106697.db2.gz ULIAHGNWCCYAIJ-QGZVFWFLSA-N 2 1 349.519 3.219 20 0 EGADMP Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678125941 549402725 /nfs/dbraw/zinc/40/27/25/549402725.db2.gz YBKWTDZZLJSXAH-HXUWFJFHSA-N 2 1 327.472 3.303 20 0 EGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000678284295 549458617 /nfs/dbraw/zinc/45/86/17/549458617.db2.gz ABWQLEFLRRVGME-VQTJNVASSA-N 2 1 344.499 3.020 20 0 EGADMP Cc1cccc(C(C)(C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000678781196 549559931 /nfs/dbraw/zinc/55/99/31/549559931.db2.gz DKEWUPXFINDBGR-FQEVSTJZSA-N 2 1 326.484 3.313 20 0 EGADMP Cc1cccc(C(C)(C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000678781196 549559935 /nfs/dbraw/zinc/55/99/35/549559935.db2.gz DKEWUPXFINDBGR-FQEVSTJZSA-N 2 1 326.484 3.313 20 0 EGADMP Cc1[nH+]c2ccccc2c(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1C ZINC000680055221 549812854 /nfs/dbraw/zinc/81/28/54/549812854.db2.gz PIKVXBDUBXOMKB-GOSISDBHSA-N 2 1 338.499 3.068 20 0 EGADMP COC[C@@H]1CCCC[NH+](C/C=C\C[N@@H+]2CCCC[C@H](COC)C2)C1 ZINC000681038571 549945393 /nfs/dbraw/zinc/94/53/93/549945393.db2.gz UUWMDEHGOFWGFV-JSXPQOMVSA-N 2 1 338.536 3.040 20 0 EGADMP COC[C@@H]1CCCC[N@@H+](C/C=C\C[NH+]2CCCC[C@H](COC)C2)C1 ZINC000681038571 549945394 /nfs/dbraw/zinc/94/53/94/549945394.db2.gz UUWMDEHGOFWGFV-JSXPQOMVSA-N 2 1 338.536 3.040 20 0 EGADMP COC[C@@H]1CCCC[N@H+](C/C=C\C[NH+]2CCCC[C@H](COC)C2)C1 ZINC000681038571 549945396 /nfs/dbraw/zinc/94/53/96/549945396.db2.gz UUWMDEHGOFWGFV-JSXPQOMVSA-N 2 1 338.536 3.040 20 0 EGADMP Fc1cc(OCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1Cl ZINC000683014724 550177857 /nfs/dbraw/zinc/17/78/57/550177857.db2.gz UUCYRXWZLOQPLF-UHFFFAOYSA-N 2 1 335.810 3.075 20 0 EGADMP C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685442216 550417013 /nfs/dbraw/zinc/41/70/13/550417013.db2.gz HZGWFWPXMHZCPC-MJGOQNOKSA-N 2 1 334.504 3.143 20 0 EGADMP C[C@@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000685457271 550419184 /nfs/dbraw/zinc/41/91/84/550419184.db2.gz RJIPGDOUGDNDTQ-OXJNMPFZSA-N 2 1 333.495 3.030 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000309947796 574981068 /nfs/dbraw/zinc/98/10/68/574981068.db2.gz ZHPLQTMMPBXAIH-KLAILNCOSA-N 2 1 339.524 3.142 20 0 EGADMP Fc1ccccc1COc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000678342896 576167170 /nfs/dbraw/zinc/16/71/70/576167170.db2.gz GBQNJFOSVDVKRZ-QZTJIDSGSA-N 2 1 326.415 3.056 20 0 EGADMP c1c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2n1Cc1ccccc1 ZINC000678343045 576167177 /nfs/dbraw/zinc/16/71/77/576167177.db2.gz LTYMULCUNBSFFD-KDURUIRLSA-N 2 1 331.463 3.341 20 0 EGADMP O[C@]1(C[NH2+][C@H](c2cccs2)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000678689899 576169276 /nfs/dbraw/zinc/16/92/76/576169276.db2.gz OBUAPTQYBSORPK-PMACEKPBSA-N 2 1 342.508 3.426 20 0 EGADMP O[C@]1(C[NH2+][C@H](c2cccs2)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000678689899 576169281 /nfs/dbraw/zinc/16/92/81/576169281.db2.gz OBUAPTQYBSORPK-PMACEKPBSA-N 2 1 342.508 3.426 20 0 EGADMP CCCc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000679219006 576175850 /nfs/dbraw/zinc/17/58/50/576175850.db2.gz PDQVOCMHNFRMJN-OAQYLSRUSA-N 2 1 329.532 3.239 20 0 EGADMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)C(C)C ZINC000824584834 609147964 /nfs/dbraw/zinc/14/79/64/609147964.db2.gz IDRMLXFFPHSINS-AWEZNQCLSA-N 2 1 348.470 3.165 20 0 EGADMP CC(C)(C)OC(=O)N(CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000305892779 1297064565 /nfs/dbraw/zinc/06/45/65/1297064565.db2.gz OMHMJSJJPJABRI-HOTGVXAUSA-N 2 1 339.524 3.238 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccccc3F)c2)CCO1 ZINC000063524691 1292014037 /nfs/dbraw/zinc/01/40/37/1292014037.db2.gz HKKVJYFEBXFIFU-INIZCTEOSA-N 2 1 328.431 3.336 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccccc3F)c2)CCO1 ZINC000063524691 1292014044 /nfs/dbraw/zinc/01/40/44/1292014044.db2.gz HKKVJYFEBXFIFU-INIZCTEOSA-N 2 1 328.431 3.336 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000069160412 1292233404 /nfs/dbraw/zinc/23/34/04/1292233404.db2.gz DDKYVNRYMFAZQT-ZDUSSCGKSA-N 2 1 329.257 3.410 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000069160412 1292233413 /nfs/dbraw/zinc/23/34/13/1292233413.db2.gz DDKYVNRYMFAZQT-ZDUSSCGKSA-N 2 1 329.257 3.410 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000069001769 1292225077 /nfs/dbraw/zinc/22/50/77/1292225077.db2.gz YAHORWDNLWYIEI-UHFFFAOYSA-N 2 1 326.444 3.206 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1O ZINC000103173843 1292997267 /nfs/dbraw/zinc/99/72/67/1292997267.db2.gz SYGSWHZMAVOHHE-LJQANCHMSA-N 2 1 340.467 3.055 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1O ZINC000103173843 1292997278 /nfs/dbraw/zinc/99/72/78/1292997278.db2.gz SYGSWHZMAVOHHE-LJQANCHMSA-N 2 1 340.467 3.055 20 0 EGADMP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc(Cl)c1OC ZINC000105443655 1293036882 /nfs/dbraw/zinc/03/68/82/1293036882.db2.gz FTHFMSDNVYVNRL-GFCCVEGCSA-N 2 1 337.851 3.288 20 0 EGADMP CC(=O)N1CCC([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000109068318 1293087247 /nfs/dbraw/zinc/08/72/47/1293087247.db2.gz ATMORPCHHQKTCT-QGZVFWFLSA-N 2 1 343.515 3.162 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc(O)c3)CC2)cs1 ZINC000111397611 1293104094 /nfs/dbraw/zinc/10/40/94/1293104094.db2.gz MJHGXBDLLCMWDQ-UHFFFAOYSA-N 2 1 345.512 3.413 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1nc(Br)cs1 ZINC000834566291 1293117843 /nfs/dbraw/zinc/11/78/43/1293117843.db2.gz IMGUBWAUYYEQTH-UWVGGRQHSA-N 2 1 343.294 3.397 20 0 EGADMP COC1([C@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000834789565 1293148953 /nfs/dbraw/zinc/14/89/53/1293148953.db2.gz DBKDNZUWSOAUPJ-ICSRJNTNSA-N 2 1 346.515 3.072 20 0 EGADMP CCn1nccc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000119590303 1293278258 /nfs/dbraw/zinc/27/82/58/1293278258.db2.gz GAMQGBQJCIHTPQ-IRXDYDNUSA-N 2 1 326.488 3.149 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(CN2CCSC2=O)CC1 ZINC000125515068 1293510202 /nfs/dbraw/zinc/51/02/02/1293510202.db2.gz CUGMBRDRIRZPES-HNNXBMFYSA-N 2 1 325.522 3.089 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2CCSC2=O)CC1 ZINC000125515068 1293510206 /nfs/dbraw/zinc/51/02/06/1293510206.db2.gz CUGMBRDRIRZPES-HNNXBMFYSA-N 2 1 325.522 3.089 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2CCSC2=O)CC1 ZINC000125515068 1293510209 /nfs/dbraw/zinc/51/02/09/1293510209.db2.gz CUGMBRDRIRZPES-HNNXBMFYSA-N 2 1 325.522 3.089 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3COC4(CCCCC4)O3)CC2)cc1 ZINC000126157861 1293526612 /nfs/dbraw/zinc/52/66/12/1293526612.db2.gz VRXQNIQQIURGGK-HXUWFJFHSA-N 2 1 344.499 3.316 20 0 EGADMP Cc1csc(N2CCC([NH2+][C@H]3CC[N@H+](CC4CCCC4)C3)CC2)n1 ZINC000151127443 1293909461 /nfs/dbraw/zinc/90/94/61/1293909461.db2.gz SGNOMWMPOULNRU-SFHVURJKSA-N 2 1 348.560 3.274 20 0 EGADMP Cc1csc(N2CCC([NH2+][C@H]3CC[N@@H+](CC4CCCC4)C3)CC2)n1 ZINC000151127443 1293909464 /nfs/dbraw/zinc/90/94/64/1293909464.db2.gz SGNOMWMPOULNRU-SFHVURJKSA-N 2 1 348.560 3.274 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC(CC)(CC)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000154564059 1294060534 /nfs/dbraw/zinc/06/05/34/1294060534.db2.gz WNSHJPFRMRSJAV-HOTGVXAUSA-N 2 1 341.540 3.390 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)C[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000165884968 1294359867 /nfs/dbraw/zinc/35/98/67/1294359867.db2.gz AJGZQHFEIIZBSK-LJQANCHMSA-N 2 1 343.515 3.209 20 0 EGADMP CC[C@@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000183410448 1295117688 /nfs/dbraw/zinc/11/76/88/1295117688.db2.gz IPMHNBLQXZZRQS-SJORKVTESA-N 2 1 339.524 3.240 20 0 EGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183541656 1295128430 /nfs/dbraw/zinc/12/84/30/1295128430.db2.gz FYMPTEIQXGWNCV-INIZCTEOSA-N 2 1 327.513 3.098 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183541656 1295128438 /nfs/dbraw/zinc/12/84/38/1295128438.db2.gz FYMPTEIQXGWNCV-INIZCTEOSA-N 2 1 327.513 3.098 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C[C@H](C)O1 ZINC000237609914 1296251699 /nfs/dbraw/zinc/25/16/99/1296251699.db2.gz RXNOYKWBHAMSQT-CALCHBBNSA-N 2 1 346.515 3.379 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)OCc2ccccc2)CC1 ZINC000303399266 1296832816 /nfs/dbraw/zinc/83/28/16/1296832816.db2.gz QKWLUIYYROIPMB-UHFFFAOYSA-N 2 1 332.488 3.174 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)OCc2ccccc2)CC1 ZINC000303399266 1296832829 /nfs/dbraw/zinc/83/28/29/1296832829.db2.gz QKWLUIYYROIPMB-UHFFFAOYSA-N 2 1 332.488 3.174 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)cc(Cl)c1 ZINC000305318860 1297011141 /nfs/dbraw/zinc/01/11/41/1297011141.db2.gz KXGYASXPWNMTTQ-BZUAXINKSA-N 2 1 329.271 3.243 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)cc(Cl)c1 ZINC000305318860 1297011159 /nfs/dbraw/zinc/01/11/59/1297011159.db2.gz KXGYASXPWNMTTQ-BZUAXINKSA-N 2 1 329.271 3.243 20 0 EGADMP Cc1ccc(Br)c(F)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000873012250 1297221428 /nfs/dbraw/zinc/22/14/28/1297221428.db2.gz FKHHQNNMXFBOEC-LBPRGKRZSA-N 2 1 341.268 3.471 20 0 EGADMP Cc1ccc(Br)c(F)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000873012250 1297221436 /nfs/dbraw/zinc/22/14/36/1297221436.db2.gz FKHHQNNMXFBOEC-LBPRGKRZSA-N 2 1 341.268 3.471 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)[C@H](n2cncn2)C1 ZINC000340471169 1297313645 /nfs/dbraw/zinc/31/36/45/1297313645.db2.gz CETWIQPAEAYWQF-YDZRNGNQSA-N 2 1 333.524 3.110 20 0 EGADMP COC(=O)c1coc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c1 ZINC000873232144 1297372223 /nfs/dbraw/zinc/37/22/23/1297372223.db2.gz LKRXJQZUIPHBDA-KDOFPFPSSA-N 2 1 334.460 3.186 20 0 EGADMP FC(F)[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291268 1297412882 /nfs/dbraw/zinc/41/28/82/1297412882.db2.gz IWKMLLQAMMRWNI-IRXDYDNUSA-N 2 1 338.442 3.001 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000355859082 1297460556 /nfs/dbraw/zinc/46/05/56/1297460556.db2.gz VYOWXUYYXDUNFM-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000355859082 1297460560 /nfs/dbraw/zinc/46/05/60/1297460560.db2.gz VYOWXUYYXDUNFM-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000355859082 1297460563 /nfs/dbraw/zinc/46/05/63/1297460563.db2.gz VYOWXUYYXDUNFM-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H](CC[NH2+]C[C@@H](O)c1cccc(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000379635189 1297536304 /nfs/dbraw/zinc/53/63/04/1297536304.db2.gz QLMUNTVGXLWJGF-OXQOHEQNSA-N 2 1 330.447 3.359 20 0 EGADMP C[C@H](CC[NH2+]C[C@@H](O)c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000379621068 1297536400 /nfs/dbraw/zinc/53/64/00/1297536400.db2.gz DWUJDHSECWWRAP-DYESRHJHSA-N 2 1 337.467 3.092 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+]CCc3ccc4c(c3)CCO4)CC2)cc1 ZINC000384210819 1297577660 /nfs/dbraw/zinc/57/76/60/1297577660.db2.gz IHDAJLGAGNUQJZ-UHFFFAOYSA-N 2 1 336.479 3.418 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000398153043 1297715952 /nfs/dbraw/zinc/71/59/52/1297715952.db2.gz PUVIKBFDCNMNDA-LPHOPBHVSA-N 2 1 338.451 3.416 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000398153043 1297715960 /nfs/dbraw/zinc/71/59/60/1297715960.db2.gz PUVIKBFDCNMNDA-LPHOPBHVSA-N 2 1 338.451 3.416 20 0 EGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400328785 1297729321 /nfs/dbraw/zinc/72/93/21/1297729321.db2.gz CFJCJYQLHMPGTJ-CVEARBPZSA-N 2 1 341.540 3.342 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000709341858 1298248580 /nfs/dbraw/zinc/24/85/80/1298248580.db2.gz GQYHBKFYMHBOFX-DKPZUSDMSA-N 2 1 327.516 3.158 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CCN1Cc1ccccc1 ZINC000709341858 1298248584 /nfs/dbraw/zinc/24/85/84/1298248584.db2.gz GQYHBKFYMHBOFX-DKPZUSDMSA-N 2 1 327.516 3.158 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000709341858 1298248588 /nfs/dbraw/zinc/24/85/88/1298248588.db2.gz GQYHBKFYMHBOFX-DKPZUSDMSA-N 3 1 327.516 3.158 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000709341858 1298248594 /nfs/dbraw/zinc/24/85/94/1298248594.db2.gz GQYHBKFYMHBOFX-DKPZUSDMSA-N 3 1 327.516 3.158 20 0 EGADMP Cc1ccc(C)c(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000711726577 1298261531 /nfs/dbraw/zinc/26/15/31/1298261531.db2.gz QCBDCXSZHGHQGR-QFIPXVFZSA-N 2 1 338.495 3.372 20 0 EGADMP Cc1ccc(C)c(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000711726577 1298261535 /nfs/dbraw/zinc/26/15/35/1298261535.db2.gz QCBDCXSZHGHQGR-QFIPXVFZSA-N 2 1 338.495 3.372 20 0 EGADMP Cc1ccc(C)c(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000711726577 1298261543 /nfs/dbraw/zinc/26/15/43/1298261543.db2.gz QCBDCXSZHGHQGR-QFIPXVFZSA-N 2 1 338.495 3.372 20 0 EGADMP Cc1ccc(C)c(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000711726577 1298261549 /nfs/dbraw/zinc/26/15/49/1298261549.db2.gz QCBDCXSZHGHQGR-QFIPXVFZSA-N 2 1 338.495 3.372 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000717579804 1298303590 /nfs/dbraw/zinc/30/35/90/1298303590.db2.gz PISHEHFXXBELHV-OAQYLSRUSA-N 3 1 329.532 3.220 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000717579804 1298303604 /nfs/dbraw/zinc/30/36/04/1298303604.db2.gz PISHEHFXXBELHV-OAQYLSRUSA-N 2 1 329.532 3.220 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000717579804 1298303617 /nfs/dbraw/zinc/30/36/17/1298303617.db2.gz PISHEHFXXBELHV-OAQYLSRUSA-N 2 1 329.532 3.220 20 0 EGADMP C[N@H+](CC[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000724030378 1298345691 /nfs/dbraw/zinc/34/56/91/1298345691.db2.gz SUVCUIDUKLFCFK-CVEARBPZSA-N 2 1 339.524 3.144 20 0 EGADMP C[N@@H+](CC[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000724030378 1298345703 /nfs/dbraw/zinc/34/57/03/1298345703.db2.gz SUVCUIDUKLFCFK-CVEARBPZSA-N 2 1 339.524 3.144 20 0 EGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724051164 1298346537 /nfs/dbraw/zinc/34/65/37/1298346537.db2.gz ZYBSSFVHSSLIKG-JKSUJKDBSA-N 2 1 327.513 3.001 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724051164 1298346546 /nfs/dbraw/zinc/34/65/46/1298346546.db2.gz ZYBSSFVHSSLIKG-JKSUJKDBSA-N 2 1 327.513 3.001 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000746147957 1298543625 /nfs/dbraw/zinc/54/36/25/1298543625.db2.gz SNWFVCXTMHACJS-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000746147957 1298543632 /nfs/dbraw/zinc/54/36/32/1298543632.db2.gz SNWFVCXTMHACJS-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000876731448 1298944452 /nfs/dbraw/zinc/94/44/52/1298944452.db2.gz RBWFRGDDQMKELT-INIZCTEOSA-N 2 1 333.476 3.417 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000876731448 1298944460 /nfs/dbraw/zinc/94/44/60/1298944460.db2.gz RBWFRGDDQMKELT-INIZCTEOSA-N 2 1 333.476 3.417 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876940939 1299078463 /nfs/dbraw/zinc/07/84/63/1299078463.db2.gz BLXUFYCUEKURII-QFUCXCTJSA-N 2 1 347.547 3.022 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000876991862 1299103778 /nfs/dbraw/zinc/10/37/78/1299103778.db2.gz VUGCRRIKJVIYFR-UHFFFAOYSA-N 2 1 330.432 3.328 20 0 EGADMP ClC1(Cl)C[C@H]1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000877007106 1299111873 /nfs/dbraw/zinc/11/18/73/1299111873.db2.gz CZNGNYAWQIRQGJ-CVEARBPZSA-N 2 1 327.299 3.334 20 0 EGADMP C[C@H](CCOCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000877479178 1299329954 /nfs/dbraw/zinc/32/99/54/1299329954.db2.gz UGTXMHRAXOUABY-MOPGFXCFSA-N 2 1 334.504 3.072 20 0 EGADMP C[C@H](CCOCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000877479178 1299329962 /nfs/dbraw/zinc/32/99/62/1299329962.db2.gz UGTXMHRAXOUABY-MOPGFXCFSA-N 2 1 334.504 3.072 20 0 EGADMP C[C@H](CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000750851325 1299463902 /nfs/dbraw/zinc/46/39/02/1299463902.db2.gz JFFLBZUXHLVCJN-QGZVFWFLSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCOc1ccccc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877745910 1299523632 /nfs/dbraw/zinc/52/36/32/1299523632.db2.gz DADGXAWZUNZWEW-UHFFFAOYSA-N 2 1 345.531 3.077 20 0 EGADMP CC(C)(O)[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000877795944 1299562738 /nfs/dbraw/zinc/56/27/38/1299562738.db2.gz BEUIHIUUHDBORE-LJQANCHMSA-N 2 1 346.515 3.144 20 0 EGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CS1 ZINC000754124921 1300091586 /nfs/dbraw/zinc/09/15/86/1300091586.db2.gz UNEIDOFBVCHOSW-ZACQAIPSSA-N 2 1 326.550 3.140 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)CCCC[NH+]1CCCC1 ZINC000754191694 1300102542 /nfs/dbraw/zinc/10/25/42/1300102542.db2.gz BQNJOLWVGQXBQO-UHFFFAOYSA-N 2 1 345.531 3.279 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000756117466 1300442362 /nfs/dbraw/zinc/44/23/62/1300442362.db2.gz CSCWZXLOOXTQPA-JKSUJKDBSA-N 2 1 348.491 3.391 20 0 EGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000880385594 1301097219 /nfs/dbraw/zinc/09/72/19/1301097219.db2.gz QBUAJDDPDDDGDU-OAHLLOKOSA-N 2 1 332.410 3.231 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000880385594 1301097232 /nfs/dbraw/zinc/09/72/32/1301097232.db2.gz QBUAJDDPDDDGDU-OAHLLOKOSA-N 2 1 332.410 3.231 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000762649470 1301721831 /nfs/dbraw/zinc/72/18/31/1301721831.db2.gz MMXDMPYLXIRNII-QZTJIDSGSA-N 2 1 342.487 3.024 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000762649470 1301721841 /nfs/dbraw/zinc/72/18/41/1301721841.db2.gz MMXDMPYLXIRNII-QZTJIDSGSA-N 2 1 342.487 3.024 20 0 EGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000762789386 1301750228 /nfs/dbraw/zinc/75/02/28/1301750228.db2.gz UDZCRVLLSKWRDS-WBVHZDCISA-N 2 1 342.455 3.035 20 0 EGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000762789386 1301750234 /nfs/dbraw/zinc/75/02/34/1301750234.db2.gz UDZCRVLLSKWRDS-WBVHZDCISA-N 2 1 342.455 3.035 20 0 EGADMP FC(F)(F)COc1cccc(C[N@@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000883458284 1302451368 /nfs/dbraw/zinc/45/13/68/1302451368.db2.gz CUVQTPDQAJWUEM-UHFFFAOYSA-N 2 1 328.378 3.346 20 0 EGADMP FC(F)(F)COc1cccc(C[N@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000883458284 1302451376 /nfs/dbraw/zinc/45/13/76/1302451376.db2.gz CUVQTPDQAJWUEM-UHFFFAOYSA-N 2 1 328.378 3.346 20 0 EGADMP CC[N@H+](CC[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000768221778 1302858186 /nfs/dbraw/zinc/85/81/86/1302858186.db2.gz VUOFPZCXUDTSJP-MRXNPFEDSA-N 2 1 341.540 3.342 20 0 EGADMP CC[N@@H+](CC[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000768221778 1302858199 /nfs/dbraw/zinc/85/81/99/1302858199.db2.gz VUOFPZCXUDTSJP-MRXNPFEDSA-N 2 1 341.540 3.342 20 0 EGADMP O=C(OCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000770382409 1303258578 /nfs/dbraw/zinc/25/85/78/1303258578.db2.gz ODXUAUJOIWQOGO-SFHVURJKSA-N 2 1 348.462 3.067 20 0 EGADMP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000886640319 1303535398 /nfs/dbraw/zinc/53/53/98/1303535398.db2.gz WPBIUNMHYWINFH-MWXLCCTBSA-N 3 1 333.564 3.495 20 0 EGADMP Cc1[nH]c(C2CC[NH+](CC[S@](=O)c3ccccc3)CC2)[nH+]c1C ZINC000886666314 1303546699 /nfs/dbraw/zinc/54/66/99/1303546699.db2.gz QWYBAMYZMJQPRR-QHCPKHFHSA-N 2 1 331.485 3.014 20 0 EGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000772805199 1303578959 /nfs/dbraw/zinc/57/89/59/1303578959.db2.gz FKIMDEWLVREREI-UHFFFAOYSA-N 2 1 345.487 3.026 20 0 EGADMP C[C@H]1C[C@H](NCC(=O)Nc2cc(Cl)ccc2Cl)CC[N@H+]1C ZINC000772951952 1303597474 /nfs/dbraw/zinc/59/74/74/1303597474.db2.gz PUHUSYKKPYZJEB-CMPLNLGQSA-N 2 1 330.259 3.004 20 0 EGADMP C[C@H](COCc1ccccc1)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000886839701 1303617414 /nfs/dbraw/zinc/61/74/14/1303617414.db2.gz KMUNQOHBMUUMCM-ZIBCJSCZSA-N 2 1 346.515 3.058 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000781640496 1304853362 /nfs/dbraw/zinc/85/33/62/1304853362.db2.gz HSOSSRYZMMGTAS-NRFANRHFSA-N 2 1 347.462 3.091 20 0 EGADMP C[C@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000782185494 1304927529 /nfs/dbraw/zinc/92/75/29/1304927529.db2.gz XRTUKEFUOLTOEX-GHTZIAJQSA-N 2 1 329.532 3.313 20 0 EGADMP C[C@H]1C[C@H]([NH+](C)CC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000782185494 1304927534 /nfs/dbraw/zinc/92/75/34/1304927534.db2.gz XRTUKEFUOLTOEX-GHTZIAJQSA-N 3 1 329.532 3.313 20 0 EGADMP C[C@H]1C[C@H]([NH+](C)CC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000782185494 1304927540 /nfs/dbraw/zinc/92/75/40/1304927540.db2.gz XRTUKEFUOLTOEX-GHTZIAJQSA-N 3 1 329.532 3.313 20 0 EGADMP C[C@H]1C[C@H]([N@H+](C)CC2CC[NH+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000782185494 1304927547 /nfs/dbraw/zinc/92/75/47/1304927547.db2.gz XRTUKEFUOLTOEX-GHTZIAJQSA-N 3 1 329.532 3.313 20 0 EGADMP C[C@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000782185494 1304927554 /nfs/dbraw/zinc/92/75/54/1304927554.db2.gz XRTUKEFUOLTOEX-GHTZIAJQSA-N 3 1 329.532 3.313 20 0 EGADMP COc1cccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C)CC2)c1 ZINC000891813421 1305175660 /nfs/dbraw/zinc/17/56/60/1305175660.db2.gz AUIMFMHHFBOAKG-FQEVSTJZSA-N 2 1 332.488 3.018 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnn(C3CCC3)c2)CC1 ZINC000892146931 1305267653 /nfs/dbraw/zinc/26/76/53/1305267653.db2.gz ZYXOSOIGSCQPJN-UHFFFAOYSA-N 2 1 348.535 3.179 20 0 EGADMP CCn1cc(CNCc2ccccc2C[N@@H+](C)C2CCCCC2)nn1 ZINC000892653713 1305490145 /nfs/dbraw/zinc/49/01/45/1305490145.db2.gz LWHMJCYBIYUOEU-UHFFFAOYSA-N 2 1 341.503 3.352 20 0 EGADMP CCn1cc(C[NH2+]Cc2ccccc2C[N@H+](C)C2CCCCC2)nn1 ZINC000892653713 1305490152 /nfs/dbraw/zinc/49/01/52/1305490152.db2.gz LWHMJCYBIYUOEU-UHFFFAOYSA-N 2 1 341.503 3.352 20 0 EGADMP CCn1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)nn1 ZINC000892653713 1305490158 /nfs/dbraw/zinc/49/01/58/1305490158.db2.gz LWHMJCYBIYUOEU-UHFFFAOYSA-N 2 1 341.503 3.352 20 0 EGADMP CC(C)(C)[C@H]1CCC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790364150 1306308260 /nfs/dbraw/zinc/30/82/60/1306308260.db2.gz FAZCNVVRULTQOV-JXFKEZNVSA-N 2 1 349.519 3.009 20 0 EGADMP COC(=O)c1[nH]c2ccccc2c1C[NH2+]CCCCn1cc[nH+]c1C ZINC000894288322 1306322432 /nfs/dbraw/zinc/32/24/32/1306322432.db2.gz RPMOVWIVQXYCFX-UHFFFAOYSA-N 2 1 340.427 3.029 20 0 EGADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894497491 1308923071 /nfs/dbraw/zinc/92/30/71/1308923071.db2.gz YQSAORUHCVBDCX-YPMHNXCESA-N 2 1 333.423 3.164 20 0 EGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894497491 1308923077 /nfs/dbraw/zinc/92/30/77/1308923077.db2.gz YQSAORUHCVBDCX-YPMHNXCESA-N 2 1 333.423 3.164 20 0 EGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894497491 1308923084 /nfs/dbraw/zinc/92/30/84/1308923084.db2.gz YQSAORUHCVBDCX-YPMHNXCESA-N 2 1 333.423 3.164 20 0 EGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894497491 1308923093 /nfs/dbraw/zinc/92/30/93/1308923093.db2.gz YQSAORUHCVBDCX-YPMHNXCESA-N 2 1 333.423 3.164 20 0 EGADMP Cc1ccc([C@@H](O)CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000791622007 1309035505 /nfs/dbraw/zinc/03/55/05/1309035505.db2.gz NWYSOOPYLZDGJF-BDTNDASRSA-N 2 1 336.479 3.092 20 0 EGADMP Cc1ccc([C@@H](O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000791622007 1309035520 /nfs/dbraw/zinc/03/55/20/1309035520.db2.gz NWYSOOPYLZDGJF-BDTNDASRSA-N 2 1 336.479 3.092 20 0 EGADMP Cc1ccc([C@@H](O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000791622007 1309035531 /nfs/dbraw/zinc/03/55/31/1309035531.db2.gz NWYSOOPYLZDGJF-BDTNDASRSA-N 2 1 336.479 3.092 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000793038734 1309285021 /nfs/dbraw/zinc/28/50/21/1309285021.db2.gz SRCJAGJAICQTPR-UHFFFAOYSA-N 2 1 347.503 3.218 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793527537 1309394415 /nfs/dbraw/zinc/39/44/15/1309394415.db2.gz NQPNHBJBGPLTKA-MJGOQNOKSA-N 2 1 326.488 3.291 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793527537 1309394421 /nfs/dbraw/zinc/39/44/21/1309394421.db2.gz NQPNHBJBGPLTKA-MJGOQNOKSA-N 2 1 326.488 3.291 20 0 EGADMP Cc1nn2c(C[N@@H+](C)CCCC[NH+]3CCCCC3)c(C)nc2s1 ZINC000895683225 1309463482 /nfs/dbraw/zinc/46/34/82/1309463482.db2.gz JQGAMBIYMCQGHL-UHFFFAOYSA-N 2 1 335.521 3.106 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(N2CCCC2)nc1 ZINC000895682581 1309463520 /nfs/dbraw/zinc/46/35/20/1309463520.db2.gz HGCCQUBGNNPFHH-UHFFFAOYSA-N 2 1 330.520 3.380 20 0 EGADMP CCn1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)n1 ZINC000895693441 1309470061 /nfs/dbraw/zinc/47/00/61/1309470061.db2.gz CQKBJIQMIPBIEF-APWZRJJASA-N 2 1 326.488 3.069 20 0 EGADMP CCCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000895922597 1309593380 /nfs/dbraw/zinc/59/33/80/1309593380.db2.gz HPVKBUOESYUQTA-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000796279854 1309950903 /nfs/dbraw/zinc/95/09/03/1309950903.db2.gz RIPGWQIADWPSCT-KLAILNCOSA-N 2 1 341.540 3.390 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000796279854 1309950907 /nfs/dbraw/zinc/95/09/07/1309950907.db2.gz RIPGWQIADWPSCT-KLAILNCOSA-N 2 1 341.540 3.390 20 0 EGADMP c1ccc(CSCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000797600493 1310219826 /nfs/dbraw/zinc/21/98/26/1310219826.db2.gz WOVLUWCJJKHPKV-IBGZPJMESA-N 2 1 334.529 3.153 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cncc(Br)c3)C2)CC1 ZINC000798957531 1310464072 /nfs/dbraw/zinc/46/40/72/1310464072.db2.gz ZLEOQKTUWNELDA-UHFFFAOYSA-N 2 1 338.293 3.152 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)CC1 ZINC000798957089 1310463762 /nfs/dbraw/zinc/46/37/62/1310463762.db2.gz MYRYWIDIVICSIF-UHFFFAOYSA-N 2 1 336.483 3.451 20 0 EGADMP C[NH+]1CCC2(CCC[N@H+](Cc3cncc(Br)c3)C2)CC1 ZINC000798957531 1310464068 /nfs/dbraw/zinc/46/40/68/1310464068.db2.gz ZLEOQKTUWNELDA-UHFFFAOYSA-N 2 1 338.293 3.152 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178285 1310500313 /nfs/dbraw/zinc/50/03/13/1310500313.db2.gz QYWMCWYPUXRNHX-MKXGPGLRSA-N 2 1 349.563 3.124 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+]CCOC3CCSCC3)CC2)cc1 ZINC000898440530 1310736293 /nfs/dbraw/zinc/73/62/93/1310736293.db2.gz RVKSOSOBIOXCBO-UHFFFAOYSA-N 2 1 334.529 3.153 20 0 EGADMP CC[NH+](CC)CCOc1cccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000898704498 1310827575 /nfs/dbraw/zinc/82/75/75/1310827575.db2.gz VJEYOBVVHYBTGX-OALUTQOASA-N 2 1 331.504 3.446 20 0 EGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000839182171 1320888229 /nfs/dbraw/zinc/88/82/29/1320888229.db2.gz LHZQMHUHSNECLE-DLBZAZTESA-N 2 1 341.540 3.105 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001018938716 1316981173 /nfs/dbraw/zinc/98/11/73/1316981173.db2.gz ZJJXTHNNIAIABL-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001019076303 1317036178 /nfs/dbraw/zinc/03/61/78/1317036178.db2.gz UVXPDDTVLBFNPS-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001019259500 1317132085 /nfs/dbraw/zinc/13/20/85/1317132085.db2.gz MECMASPQUKILEP-WBAXXEDZSA-N 2 1 349.906 3.076 20 0 EGADMP CC[C@H]([NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1)c1ccccc1 ZINC001019381310 1317205738 /nfs/dbraw/zinc/20/57/38/1317205738.db2.gz FLRKRZUJKJPGGP-OALUTQOASA-N 2 1 343.515 3.060 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000957560935 1317458545 /nfs/dbraw/zinc/45/85/45/1317458545.db2.gz AQRXELLLANSZSP-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000957605727 1317492274 /nfs/dbraw/zinc/49/22/74/1317492274.db2.gz LAVZXYSXRUKHQA-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)CC1 ZINC000957621116 1317501451 /nfs/dbraw/zinc/50/14/51/1317501451.db2.gz YZWNDCDDJPNSDO-OALUTQOASA-N 2 1 347.547 3.116 20 0 EGADMP CCOCCOCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000929805612 1328704917 /nfs/dbraw/zinc/70/49/17/1328704917.db2.gz DGNDDJPBRXPIKQ-QUCCMNQESA-N 2 1 334.504 3.024 20 0 EGADMP CCOCCOCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000929805612 1328704921 /nfs/dbraw/zinc/70/49/21/1328704921.db2.gz DGNDDJPBRXPIKQ-QUCCMNQESA-N 2 1 334.504 3.024 20 0 EGADMP CCOCCOCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000929805612 1328704924 /nfs/dbraw/zinc/70/49/24/1328704924.db2.gz DGNDDJPBRXPIKQ-QUCCMNQESA-N 2 1 334.504 3.024 20 0 EGADMP CCOCCOCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000929805612 1328704927 /nfs/dbraw/zinc/70/49/27/1328704927.db2.gz DGNDDJPBRXPIKQ-QUCCMNQESA-N 2 1 334.504 3.024 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001020144080 1317559090 /nfs/dbraw/zinc/55/90/90/1317559090.db2.gz PUYJDZGAIZMPFA-AFYVEPGGSA-N 2 1 343.515 3.166 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1)c1ccccc1 ZINC001020143996 1317559263 /nfs/dbraw/zinc/55/92/63/1317559263.db2.gz NJKUSQWBXUAARB-MUGJNUQGSA-N 2 1 343.515 3.247 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1)C(C)C ZINC000957712971 1317583268 /nfs/dbraw/zinc/58/32/68/1317583268.db2.gz DGDUIZSGYHWODS-UHFFFAOYSA-N 2 1 337.552 3.220 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1)C(C)C ZINC000957773031 1317637189 /nfs/dbraw/zinc/63/71/89/1317637189.db2.gz WACUNEXARCEEIO-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CC[N@@H+](CC1CCC1)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000957778027 1317641143 /nfs/dbraw/zinc/64/11/43/1317641143.db2.gz KRIZCVSKKLMSPG-ROUUACIJSA-N 2 1 349.563 3.220 20 0 EGADMP c1cn(Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cn1 ZINC000903067221 1317646641 /nfs/dbraw/zinc/64/66/41/1317646641.db2.gz ONKMVLYOLVXLBV-VCSGRIEYSA-N 2 1 336.483 3.179 20 0 EGADMP C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1([NH+]2CCSCC2)CCCC1 ZINC000903065005 1317646992 /nfs/dbraw/zinc/64/69/92/1317646992.db2.gz FWUHSEMNYOLCJM-JLYLLQBASA-N 2 1 349.588 3.095 20 0 EGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1(N2CCSCC2)CCCC1 ZINC000903065005 1317646996 /nfs/dbraw/zinc/64/69/96/1317646996.db2.gz FWUHSEMNYOLCJM-JLYLLQBASA-N 2 1 349.588 3.095 20 0 EGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1(N2CCSCC2)CCCC1 ZINC000903065005 1317647001 /nfs/dbraw/zinc/64/70/01/1317647001.db2.gz FWUHSEMNYOLCJM-JLYLLQBASA-N 2 1 349.588 3.095 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903076879 1317647973 /nfs/dbraw/zinc/64/79/73/1317647973.db2.gz VLPLCAORRCWEJJ-PYVWZIQOSA-N 2 1 333.564 3.490 20 0 EGADMP c1cnn(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c2ccccc2)c1 ZINC000903100918 1317654046 /nfs/dbraw/zinc/65/40/46/1317654046.db2.gz WVNRLLMWBOVCIZ-VCYXJBJXSA-N 2 1 336.483 3.372 20 0 EGADMP c1cnn(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c2ccccc2)c1 ZINC000903100918 1317654051 /nfs/dbraw/zinc/65/40/51/1317654051.db2.gz WVNRLLMWBOVCIZ-VCYXJBJXSA-N 2 1 336.483 3.372 20 0 EGADMP CC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C)c1cccc(OC)c1 ZINC000903723097 1317724177 /nfs/dbraw/zinc/72/41/77/1317724177.db2.gz SWDIKXSWYDPZMG-LPHOPBHVSA-N 2 1 332.488 3.237 20 0 EGADMP C[C@H](c1nc2ccccc2s1)[N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733895 1317727182 /nfs/dbraw/zinc/72/71/82/1317727182.db2.gz SDOYEEHOWBKYSM-CABCVRRESA-N 2 1 345.512 3.448 20 0 EGADMP C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733895 1317727189 /nfs/dbraw/zinc/72/71/89/1317727189.db2.gz SDOYEEHOWBKYSM-CABCVRRESA-N 2 1 345.512 3.448 20 0 EGADMP C(=C/[C@@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2)\c1ccccc1 ZINC000903788455 1317734515 /nfs/dbraw/zinc/73/45/15/1317734515.db2.gz LJFQPZBPEBVYAB-GUKSKWGUSA-N 2 1 326.484 3.323 20 0 EGADMP CC[C@H](C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000903980094 1317760369 /nfs/dbraw/zinc/76/03/69/1317760369.db2.gz HBLYMUIWHYYDFQ-UIFIKXQLSA-N 2 1 327.516 3.081 20 0 EGADMP CCOC(C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1)OCC ZINC000809559274 1317831053 /nfs/dbraw/zinc/83/10/53/1317831053.db2.gz LSFUPUJUCXPDRD-MRXNPFEDSA-N 2 1 340.533 3.209 20 0 EGADMP CCOC(C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1)OCC ZINC000809559274 1317831058 /nfs/dbraw/zinc/83/10/58/1317831058.db2.gz LSFUPUJUCXPDRD-MRXNPFEDSA-N 2 1 340.533 3.209 20 0 EGADMP CCOC(C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1)OCC ZINC000809559274 1317831061 /nfs/dbraw/zinc/83/10/61/1317831061.db2.gz LSFUPUJUCXPDRD-MRXNPFEDSA-N 2 1 340.533 3.209 20 0 EGADMP CCOC(C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1)OCC ZINC000809559274 1317831067 /nfs/dbraw/zinc/83/10/67/1317831067.db2.gz LSFUPUJUCXPDRD-MRXNPFEDSA-N 2 1 340.533 3.209 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001020675807 1317852565 /nfs/dbraw/zinc/85/25/65/1317852565.db2.gz GKTGHPHPDFVWIM-LEAZDLGRSA-N 2 1 343.515 3.247 20 0 EGADMP C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC[N@H+](C2CCC2)C1 ZINC000904595351 1317867268 /nfs/dbraw/zinc/86/72/68/1317867268.db2.gz BGPSIILFXLRTEM-OAHLLOKOSA-N 2 1 344.503 3.219 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccccc2C[NH3+])C1 ZINC000904661386 1317878112 /nfs/dbraw/zinc/87/81/12/1317878112.db2.gz SYEJFKYBDDDKLR-IRXDYDNUSA-N 2 1 344.503 3.264 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccccc2C[NH3+])C1 ZINC000904661384 1317878755 /nfs/dbraw/zinc/87/87/55/1317878755.db2.gz SYEJFKYBDDDKLR-DLBZAZTESA-N 2 1 344.503 3.264 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000809735522 1317883195 /nfs/dbraw/zinc/88/31/95/1317883195.db2.gz JRFLPCOOROMPQR-ARFHVFGLSA-N 2 1 346.462 3.064 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001020719590 1317885749 /nfs/dbraw/zinc/88/57/49/1317885749.db2.gz MUAOQQUTKOJGDC-LWYYNNOASA-N 2 1 347.547 3.211 20 0 EGADMP Cc1c(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)sc2nc(C)nc(C)c12 ZINC000809765081 1317896364 /nfs/dbraw/zinc/89/63/64/1317896364.db2.gz KUASNCDWQHLVCQ-XHDPSFHLSA-N 2 1 332.517 3.389 20 0 EGADMP Cc1c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)sc2nc(C)nc(C)c12 ZINC000809765081 1317896374 /nfs/dbraw/zinc/89/63/74/1317896374.db2.gz KUASNCDWQHLVCQ-XHDPSFHLSA-N 2 1 332.517 3.389 20 0 EGADMP Cc1c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)sc2nc(C)nc(C)c12 ZINC000809765081 1317896381 /nfs/dbraw/zinc/89/63/81/1317896381.db2.gz KUASNCDWQHLVCQ-XHDPSFHLSA-N 2 1 332.517 3.389 20 0 EGADMP Cc1c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)sc2nc(C)nc(C)c12 ZINC000809765081 1317896388 /nfs/dbraw/zinc/89/63/88/1317896388.db2.gz KUASNCDWQHLVCQ-XHDPSFHLSA-N 2 1 332.517 3.389 20 0 EGADMP NC(=[NH+]OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000809994862 1317934028 /nfs/dbraw/zinc/93/40/28/1317934028.db2.gz HMGXIYWZNUMVAE-LJQANCHMSA-N 2 1 345.487 3.356 20 0 EGADMP NC(=[NH+]OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000809994862 1317934033 /nfs/dbraw/zinc/93/40/33/1317934033.db2.gz HMGXIYWZNUMVAE-LJQANCHMSA-N 2 1 345.487 3.356 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000810254744 1317988194 /nfs/dbraw/zinc/98/81/94/1317988194.db2.gz QFCFXJXXQSPRLC-KFWWJZLASA-N 2 1 334.451 3.062 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000810254744 1317988198 /nfs/dbraw/zinc/98/81/98/1317988198.db2.gz QFCFXJXXQSPRLC-KFWWJZLASA-N 2 1 334.451 3.062 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001021049590 1318060185 /nfs/dbraw/zinc/06/01/85/1318060185.db2.gz QQBPTJGRGVVWAS-LDTOTXGLSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)[NH+]1CCCCC1 ZINC001021256463 1318160841 /nfs/dbraw/zinc/16/08/41/1318160841.db2.gz CJAVHSPQZLVYJR-YQQQUEKLSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001021281873 1318170102 /nfs/dbraw/zinc/17/01/02/1318170102.db2.gz PJPKJIAWOILXAZ-SEBOWIOWSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001021281873 1318170108 /nfs/dbraw/zinc/17/01/08/1318170108.db2.gz PJPKJIAWOILXAZ-SEBOWIOWSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001021281873 1318170115 /nfs/dbraw/zinc/17/01/15/1318170115.db2.gz PJPKJIAWOILXAZ-SEBOWIOWSA-N 2 1 347.547 3.161 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C(=O)C(C)(C)[C@@H]2C2CC2)CC1 ZINC000811748197 1318252527 /nfs/dbraw/zinc/25/25/27/1318252527.db2.gz UKHUUKMFLBEZRI-SFHVURJKSA-N 2 1 335.536 3.035 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021605788 1318452780 /nfs/dbraw/zinc/45/27/80/1318452780.db2.gz NMNHOHAMBXURKX-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021605788 1318452790 /nfs/dbraw/zinc/45/27/90/1318452790.db2.gz NMNHOHAMBXURKX-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021605788 1318452796 /nfs/dbraw/zinc/45/27/96/1318452796.db2.gz NMNHOHAMBXURKX-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000858491124 1328777951 /nfs/dbraw/zinc/77/79/51/1328777951.db2.gz YSMPWPRZEYYFAS-CVEARBPZSA-N 2 1 331.460 3.026 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491371 1328778582 /nfs/dbraw/zinc/77/85/82/1328778582.db2.gz GHVKAGCBZICMHD-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](CC)CC[C@@H]32)o1 ZINC001021741970 1318651675 /nfs/dbraw/zinc/65/16/75/1318651675.db2.gz BDANEMDETHTRMA-AEFFLSMTSA-N 2 1 347.503 3.068 20 0 EGADMP C[N@@H+](C[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C)CC1CCCCC1 ZINC000960686937 1318792145 /nfs/dbraw/zinc/79/21/45/1318792145.db2.gz ZEGAHXSODIGIEF-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C)CC1CCCCC1 ZINC000960686937 1318792153 /nfs/dbraw/zinc/79/21/53/1318792153.db2.gz ZEGAHXSODIGIEF-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C)CC1CCCCC1 ZINC000960686937 1318792161 /nfs/dbraw/zinc/79/21/61/1318792161.db2.gz ZEGAHXSODIGIEF-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC(C)CC3)C2)C1 ZINC001022196297 1318837237 /nfs/dbraw/zinc/83/72/37/1318837237.db2.gz NOPLOBDTWVLAMB-WKXIVMOISA-N 2 1 349.563 3.027 20 0 EGADMP CC1(C)CC(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001022202507 1318841544 /nfs/dbraw/zinc/84/15/44/1318841544.db2.gz ZOKOBTGGJYSXCA-ZIFCJYIRSA-N 2 1 347.547 3.066 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001022278003 1318872845 /nfs/dbraw/zinc/87/28/45/1318872845.db2.gz FFRUWUKKWQSPOZ-ZGXWSNOMSA-N 2 1 347.547 3.211 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC000960785025 1318885001 /nfs/dbraw/zinc/88/50/01/1318885001.db2.gz CZKVNVTZNGCKTN-LJQANCHMSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+]1CCC2(CCC[N@H+](Cc3ccnc(Br)c3)C2)CC1 ZINC000815107185 1318892983 /nfs/dbraw/zinc/89/29/83/1318892983.db2.gz LFTRMNRRGJUROL-UHFFFAOYSA-N 2 1 338.293 3.152 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccnc(Br)c3)C2)CC1 ZINC000815107185 1318892993 /nfs/dbraw/zinc/89/29/93/1318892993.db2.gz LFTRMNRRGJUROL-UHFFFAOYSA-N 2 1 338.293 3.152 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCCC1 ZINC000960865317 1319010740 /nfs/dbraw/zinc/01/07/40/1319010740.db2.gz PUMIBBMILMWMPY-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCCC1 ZINC000960865317 1319010745 /nfs/dbraw/zinc/01/07/45/1319010745.db2.gz PUMIBBMILMWMPY-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001023130971 1319276246 /nfs/dbraw/zinc/27/62/46/1319276246.db2.gz PZVQNZNCOAHMAT-OTWHNJEPSA-N 2 1 335.536 3.068 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1)c1ccccc1 ZINC001023128918 1319276589 /nfs/dbraw/zinc/27/65/89/1319276589.db2.gz YPFMMOCRYOURDG-ZGXWSNOMSA-N 2 1 343.515 3.249 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C[C@H]1C[NH3+] ZINC000817879642 1319451023 /nfs/dbraw/zinc/45/10/23/1319451023.db2.gz DNEHILRJOLKCDL-HBUWYVDXSA-N 2 1 340.467 3.087 20 0 EGADMP c1cc2c(s1)CCO[C@H]2C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000817900765 1319454950 /nfs/dbraw/zinc/45/49/50/1319454950.db2.gz RRWCXPUPSZAEHO-SZMVWBNQSA-N 2 1 328.481 3.445 20 0 EGADMP Cn1c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc2cc(F)ccc21 ZINC000817903812 1319456460 /nfs/dbraw/zinc/45/64/60/1319456460.db2.gz LLIXODPDJFJMOC-OWCLPIDISA-N 2 1 330.451 3.113 20 0 EGADMP COc1ccc([C@H](C)NC2CC[NH2+]CC2)cc1C[NH+]1CCCCC1 ZINC000817934758 1319465248 /nfs/dbraw/zinc/46/52/48/1319465248.db2.gz CHDRJCGOXMIIIR-INIZCTEOSA-N 2 1 331.504 3.084 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001023367234 1319478727 /nfs/dbraw/zinc/47/87/27/1319478727.db2.gz XOVCYKUHSOVMOJ-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001023367234 1319478731 /nfs/dbraw/zinc/47/87/31/1319478731.db2.gz XOVCYKUHSOVMOJ-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001023367234 1319478735 /nfs/dbraw/zinc/47/87/35/1319478735.db2.gz XOVCYKUHSOVMOJ-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1C[NH+]1CCCCC1 ZINC000817964881 1319480053 /nfs/dbraw/zinc/48/00/53/1319480053.db2.gz IICCKQCCCRWPLE-HNAYVOBHSA-N 3 1 331.504 3.069 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CCCC3CCCC3)C2)CC[N@H+]1C ZINC001023377403 1319486049 /nfs/dbraw/zinc/48/60/49/1319486049.db2.gz KVIVQIHJZFXKMZ-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001023377403 1319486053 /nfs/dbraw/zinc/48/60/53/1319486053.db2.gz KVIVQIHJZFXKMZ-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001023377403 1319486056 /nfs/dbraw/zinc/48/60/56/1319486056.db2.gz KVIVQIHJZFXKMZ-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961372893 1319527485 /nfs/dbraw/zinc/52/74/85/1319527485.db2.gz DXEDBNQKDJDLLG-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)c2cc1C ZINC000818340423 1319530924 /nfs/dbraw/zinc/53/09/24/1319530924.db2.gz MJIQXHGTVAUHQJ-INIZCTEOSA-N 2 1 340.467 3.374 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961375491 1319531085 /nfs/dbraw/zinc/53/10/85/1319531085.db2.gz VIPZOSHTODLLPQ-MISYRCLQSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000961375491 1319531090 /nfs/dbraw/zinc/53/10/90/1319531090.db2.gz VIPZOSHTODLLPQ-MISYRCLQSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000961375491 1319531097 /nfs/dbraw/zinc/53/10/97/1319531097.db2.gz VIPZOSHTODLLPQ-MISYRCLQSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+](CCC3CC3)C2)CC1)[NH+](C)C ZINC000961376075 1319533417 /nfs/dbraw/zinc/53/34/17/1319533417.db2.gz CJGPUIVZINIHFF-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961377797 1319535483 /nfs/dbraw/zinc/53/54/83/1319535483.db2.gz ZYZJPKLBFNKLGI-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000961377797 1319535487 /nfs/dbraw/zinc/53/54/87/1319535487.db2.gz ZYZJPKLBFNKLGI-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000961377797 1319535493 /nfs/dbraw/zinc/53/54/93/1319535493.db2.gz ZYZJPKLBFNKLGI-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000961395040 1319549970 /nfs/dbraw/zinc/54/99/70/1319549970.db2.gz VNQSZRFFELJOQC-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431756 1319585315 /nfs/dbraw/zinc/58/53/15/1319585315.db2.gz MPZYABONSXHPIA-AZUAARDMSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961431756 1319585318 /nfs/dbraw/zinc/58/53/18/1319585318.db2.gz MPZYABONSXHPIA-AZUAARDMSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961431756 1319585324 /nfs/dbraw/zinc/58/53/24/1319585324.db2.gz MPZYABONSXHPIA-AZUAARDMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961434304 1319586898 /nfs/dbraw/zinc/58/68/98/1319586898.db2.gz DZWBLHMKPUPODN-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000818960012 1319590892 /nfs/dbraw/zinc/59/08/92/1319590892.db2.gz VSCVIXJSIRTBLW-RDTXWAMCSA-N 2 1 326.431 3.100 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000818965562 1319595238 /nfs/dbraw/zinc/59/52/38/1319595238.db2.gz IZEIPWNEWJITQD-BLLLJJGKSA-N 2 1 341.377 3.170 20 0 EGADMP Cc1ccc(NCCC[NH2+]C[C@H](O)c2ccc(F)cc2Cl)[nH+]c1 ZINC000819131024 1319642999 /nfs/dbraw/zinc/64/29/99/1319642999.db2.gz XUOSXYDCGRANQO-INIZCTEOSA-N 2 1 337.826 3.308 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]CC3CCCCC3)C2)C1 ZINC000961917574 1319774092 /nfs/dbraw/zinc/77/40/92/1319774092.db2.gz UQZFSUSRCZZRRT-GPJFCIFZSA-N 2 1 349.563 3.029 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCC2)C1 ZINC001023696350 1319820327 /nfs/dbraw/zinc/82/03/27/1319820327.db2.gz LCUXLMPNOVSVJF-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001023696350 1319820337 /nfs/dbraw/zinc/82/03/37/1319820337.db2.gz LCUXLMPNOVSVJF-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001023696350 1319820344 /nfs/dbraw/zinc/82/03/44/1319820344.db2.gz LCUXLMPNOVSVJF-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC(C[NH2+]CC3=CCCCC3)C2)C1 ZINC000962217242 1319864030 /nfs/dbraw/zinc/86/40/30/1319864030.db2.gz RCAQSGHEIVYZLY-IOJLRTSASA-N 2 1 347.547 3.093 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000839183092 1320888459 /nfs/dbraw/zinc/88/84/59/1320888459.db2.gz SXEJUSDEDFJKGR-OAGGEKHMSA-N 2 1 346.462 3.065 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000839183202 1320888470 /nfs/dbraw/zinc/88/84/70/1320888470.db2.gz UVGRTUROMDEQKX-INIZCTEOSA-N 2 1 341.540 3.344 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2CCC(C)(C)C2=O)CC1 ZINC000840027944 1321016399 /nfs/dbraw/zinc/01/63/99/1321016399.db2.gz MJFFCWYFKJSYDP-KRWDZBQOSA-N 2 1 335.536 3.179 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2CCC(C)(C)C2=O)CC1 ZINC000840027944 1321016403 /nfs/dbraw/zinc/01/64/03/1321016403.db2.gz MJFFCWYFKJSYDP-KRWDZBQOSA-N 2 1 335.536 3.179 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CN2CCC(C)(C)C2=O)CC1)CC1CC1 ZINC000840044234 1321018455 /nfs/dbraw/zinc/01/84/55/1321018455.db2.gz WFKIAIYLDOBMCT-UHFFFAOYSA-N 2 1 335.536 3.036 20 0 EGADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC)C2)ccc1OC(=O)CC ZINC000840886320 1321171416 /nfs/dbraw/zinc/17/14/16/1321171416.db2.gz BYAMXUMZPIJSHX-KRWDZBQOSA-N 2 1 348.487 3.222 20 0 EGADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)ccc1OC(=O)CC ZINC000840886320 1321171418 /nfs/dbraw/zinc/17/14/18/1321171418.db2.gz BYAMXUMZPIJSHX-KRWDZBQOSA-N 2 1 348.487 3.222 20 0 EGADMP C[C@H]1CCC[C@H]([NH+]2CCC(NCc3ccc(CC[NH3+])cc3)CC2)C1 ZINC000841032448 1321204415 /nfs/dbraw/zinc/20/44/15/1321204415.db2.gz SZRQTDBJQJLJRY-UWJYYQICSA-N 2 1 329.532 3.321 20 0 EGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NCc3ccc(CC[NH3+])cc3)CC2)C1 ZINC000841032446 1321204823 /nfs/dbraw/zinc/20/48/23/1321204823.db2.gz SZRQTDBJQJLJRY-UTKZUKDTSA-N 2 1 329.532 3.321 20 0 EGADMP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215117 1328947794 /nfs/dbraw/zinc/94/77/94/1328947794.db2.gz ZQEKGIBOPRPUEX-KSZLIROESA-N 2 1 345.531 3.358 20 0 EGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000842477978 1321394000 /nfs/dbraw/zinc/39/40/00/1321394000.db2.gz CZIIYJJBWYOAPF-CJNGLKHVSA-N 2 1 344.286 3.107 20 0 EGADMP Clc1ccccc1Cn1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000843120208 1321473246 /nfs/dbraw/zinc/47/32/46/1321473246.db2.gz XUIOTKZTQULKTL-UHFFFAOYSA-N 2 1 344.890 3.160 20 0 EGADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000843126787 1321473943 /nfs/dbraw/zinc/47/39/43/1321473943.db2.gz AFGMRUHJCBDQCB-VXGBXAGGSA-N 2 1 338.858 3.248 20 0 EGADMP CCN(C(=O)C[N@@H+](C)C1CCC([NH3+])CC1)c1cccc2ccccc21 ZINC000843353019 1321504496 /nfs/dbraw/zinc/50/44/96/1321504496.db2.gz RFILKNDAYPLAJJ-UHFFFAOYSA-N 2 1 339.483 3.394 20 0 EGADMP C[N@@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)C1CCC([NH3+])CC1 ZINC000843354993 1321504665 /nfs/dbraw/zinc/50/46/65/1321504665.db2.gz IDEOMZKMQBYNCX-UHFFFAOYSA-N 2 1 349.494 3.155 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)C1CCC([NH3+])CC1 ZINC000843354743 1321505064 /nfs/dbraw/zinc/50/50/64/1321505064.db2.gz GBFQPLFQOUWDHJ-KVULBXGLSA-N 2 1 337.533 3.153 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCCCCC[NH3+])CC1 ZINC000844202465 1321577931 /nfs/dbraw/zinc/57/79/31/1321577931.db2.gz GHVVYHIWZSOLEO-SFHVURJKSA-N 2 1 337.552 3.399 20 0 EGADMP Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CCCCCCC[NH3+])cn1 ZINC000844221313 1321579841 /nfs/dbraw/zinc/57/98/41/1321579841.db2.gz CJWXANCJILGPMD-LJQANCHMSA-N 2 1 332.467 3.490 20 0 EGADMP COc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Cl ZINC000848553478 1321974961 /nfs/dbraw/zinc/97/49/61/1321974961.db2.gz TZPNPGAEAJYEDL-MRXNPFEDSA-N 2 1 338.879 3.082 20 0 EGADMP CCc1ccc(NC(=[NH2+])NCC2([NH+](C)C)Cc3ccccc3C2)cc1 ZINC000849098563 1322077514 /nfs/dbraw/zinc/07/75/14/1322077514.db2.gz WJNSNVJICGOPHJ-UHFFFAOYSA-N 2 1 336.483 3.284 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000850036434 1322187506 /nfs/dbraw/zinc/18/75/06/1322187506.db2.gz RNWWOHKTFUUUKT-MRXNPFEDSA-N 2 1 334.504 3.453 20 0 EGADMP Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000922390145 1322516905 /nfs/dbraw/zinc/51/69/05/1322516905.db2.gz KYRIMHPCUOJMDX-MKXGPGLRSA-N 2 1 336.907 3.218 20 0 EGADMP CCCc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922391763 1322517269 /nfs/dbraw/zinc/51/72/69/1322517269.db2.gz ZKZVJUGMBYPHDO-YRXWBPOGSA-N 2 1 336.545 3.270 20 0 EGADMP CCc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](CC)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922393616 1322518170 /nfs/dbraw/zinc/51/81/70/1322518170.db2.gz MPFHLFJDQUPBTR-YRXWBPOGSA-N 2 1 336.545 3.270 20 0 EGADMP C[C@H]([NH3+])CN(C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000859619406 1329036671 /nfs/dbraw/zinc/03/66/71/1329036671.db2.gz GZVLHKQCUPYIQY-HNNXBMFYSA-N 2 1 332.492 3.262 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)OC[C@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000851468400 1323046684 /nfs/dbraw/zinc/04/66/84/1323046684.db2.gz MASAUXVRGQSWLV-HXUWFJFHSA-N 2 1 338.451 3.180 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)OC[C@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000851468400 1323046690 /nfs/dbraw/zinc/04/66/90/1323046690.db2.gz MASAUXVRGQSWLV-HXUWFJFHSA-N 2 1 338.451 3.180 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)c2ccccn2)CC1 ZINC000851813385 1323096432 /nfs/dbraw/zinc/09/64/32/1323096432.db2.gz UXOXRZVUYXKBBF-FXAWDEMLSA-N 2 1 331.504 3.092 20 0 EGADMP CCCOCc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000924707658 1323125716 /nfs/dbraw/zinc/12/57/16/1323125716.db2.gz VQXKJVVCIOPXAT-SEJPIABJSA-N 2 1 346.515 3.345 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnnn2-c2ccccc2)C1 ZINC000924962045 1323229288 /nfs/dbraw/zinc/22/92/88/1323229288.db2.gz YKLYBTNNELXTFR-DLBZAZTESA-N 2 1 327.476 3.038 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnnn2-c2ccccc2)C1 ZINC000924962045 1323229296 /nfs/dbraw/zinc/22/92/96/1323229296.db2.gz YKLYBTNNELXTFR-DLBZAZTESA-N 2 1 327.476 3.038 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCC2CCCCC2)CC[N@H+]1C ZINC001024446657 1323405883 /nfs/dbraw/zinc/40/58/83/1323405883.db2.gz HURZEEQGAPFGSM-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCC2CCCCC2)CC[NH+]1C ZINC001024446657 1323405885 /nfs/dbraw/zinc/40/58/85/1323405885.db2.gz HURZEEQGAPFGSM-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCC2CCCCC2)CC[NH+]1C ZINC001024446657 1323405889 /nfs/dbraw/zinc/40/58/89/1323405889.db2.gz HURZEEQGAPFGSM-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024468642 1323422600 /nfs/dbraw/zinc/42/26/00/1323422600.db2.gz LYQGYGPGNCIWJI-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001024468642 1323422607 /nfs/dbraw/zinc/42/26/07/1323422607.db2.gz LYQGYGPGNCIWJI-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001024468642 1323422619 /nfs/dbraw/zinc/42/26/19/1323422619.db2.gz LYQGYGPGNCIWJI-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024469649 1323425697 /nfs/dbraw/zinc/42/56/97/1323425697.db2.gz VGPOFGTWWFFLLM-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001024469649 1323425709 /nfs/dbraw/zinc/42/57/09/1323425709.db2.gz VGPOFGTWWFFLLM-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CC(C)(C)C1 ZINC001024469649 1323425713 /nfs/dbraw/zinc/42/57/13/1323425713.db2.gz VGPOFGTWWFFLLM-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1cc(C[NH+]2CCCC[C@@H]2CNC(=O)[C@@H]2CCCC[N@@H+]2C)cs1 ZINC001024513439 1323463150 /nfs/dbraw/zinc/46/31/50/1323463150.db2.gz QAWYCISGWHNLKC-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)[C@@H]2CCCC[NH+]2C)cs1 ZINC001024513439 1323463154 /nfs/dbraw/zinc/46/31/54/1323463154.db2.gz QAWYCISGWHNLKC-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)[C@@H]2CCCC[NH+]2C)cs1 ZINC001024513439 1323463159 /nfs/dbraw/zinc/46/31/59/1323463159.db2.gz QAWYCISGWHNLKC-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024530019 1323474976 /nfs/dbraw/zinc/47/49/76/1323474976.db2.gz BLXRYFBRJWSCAW-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP CC1CCC(C[N@H+]2CCCC[C@H]2CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001024633901 1323560237 /nfs/dbraw/zinc/56/02/37/1323560237.db2.gz OJHPOACAZYVKGN-QLOJAFMTSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711196 1323619253 /nfs/dbraw/zinc/61/92/53/1323619253.db2.gz IAFMKJQRTRNQMQ-APWZRJJASA-N 2 1 349.494 3.081 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024810936 1323713526 /nfs/dbraw/zinc/71/35/26/1323713526.db2.gz LJRCAUDZAFHFCT-HXUWFJFHSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001024959215 1323800484 /nfs/dbraw/zinc/80/04/84/1323800484.db2.gz PZDHCIMORGOQHR-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCc3ccccc3Br)C[C@@H]2C1 ZINC000931437406 1329117563 /nfs/dbraw/zinc/11/75/63/1329117563.db2.gz RPIBHHDXBKWHJT-CVEARBPZSA-N 2 1 337.305 3.265 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCc3ccccc3Br)C[C@@H]2C1 ZINC000931437406 1329117565 /nfs/dbraw/zinc/11/75/65/1329117565.db2.gz RPIBHHDXBKWHJT-CVEARBPZSA-N 2 1 337.305 3.265 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cccc4ccccc43)C[C@@H]2C1 ZINC000931440800 1329118364 /nfs/dbraw/zinc/11/83/64/1329118364.db2.gz LNPCIQVFULTWON-MSOLQXFVSA-N 2 1 337.467 3.052 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3cccc4ccccc43)C[C@@H]2C1 ZINC000931440800 1329118365 /nfs/dbraw/zinc/11/83/65/1329118365.db2.gz LNPCIQVFULTWON-MSOLQXFVSA-N 2 1 337.467 3.052 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3cccc4ccccc43)C[C@@H]2C1 ZINC000931440800 1329118367 /nfs/dbraw/zinc/11/83/67/1329118367.db2.gz LNPCIQVFULTWON-MSOLQXFVSA-N 2 1 337.467 3.052 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001025105056 1323896782 /nfs/dbraw/zinc/89/67/82/1323896782.db2.gz NEXQFEZTBALSGK-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001025168619 1323936926 /nfs/dbraw/zinc/93/69/26/1323936926.db2.gz PXRQOJNGRQBAKA-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1)c1ccccc1 ZINC001025170120 1323938589 /nfs/dbraw/zinc/93/85/89/1323938589.db2.gz XLIXECLDOUJLIW-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001025525416 1324371129 /nfs/dbraw/zinc/37/11/29/1324371129.db2.gz NYJXYVKACLLQLC-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025529079 1324376754 /nfs/dbraw/zinc/37/67/54/1324376754.db2.gz YLGXKKUJVQPQMF-YLJYHZDGSA-N 2 1 345.531 3.029 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC001025585813 1324427640 /nfs/dbraw/zinc/42/76/40/1324427640.db2.gz SLWWADHEWCDSOM-PXNSSMCTSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC001025585814 1324427653 /nfs/dbraw/zinc/42/76/53/1324427653.db2.gz SLWWADHEWCDSOM-XLIONFOSSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025627767 1324478985 /nfs/dbraw/zinc/47/89/85/1324478985.db2.gz LJGNCCLNQKAQGQ-XLIONFOSSA-N 2 1 345.531 3.235 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2ccccc2)CC1 ZINC001026503237 1324853603 /nfs/dbraw/zinc/85/36/03/1324853603.db2.gz OPMZFTZTEZPRPF-SOAGJPPSSA-N 2 1 343.515 3.078 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1CCC([NH2+]CC2CCC2)CC1 ZINC001026506794 1324855383 /nfs/dbraw/zinc/85/53/83/1324855383.db2.gz GJHLVGPLJXKONS-ACBHZAAOSA-N 2 1 335.536 3.066 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001026515833 1324862707 /nfs/dbraw/zinc/86/27/07/1324862707.db2.gz LQEJHJZGNGDEAA-SOAGJPPSSA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001026548344 1324885161 /nfs/dbraw/zinc/88/51/61/1324885161.db2.gz VTPQKTMXPNLUSG-FAFZWHIHSA-N 2 1 335.536 3.209 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026571738 1324904420 /nfs/dbraw/zinc/90/44/20/1324904420.db2.gz JQOGCEHJSPSHMP-MHJFOBGBSA-N 2 1 349.563 3.457 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC2CCC([NH2+]CC3CCC(C)(C)CC3)CC2)C1 ZINC001026605672 1324928217 /nfs/dbraw/zinc/92/82/17/1324928217.db2.gz YAKVBEVAGMNXJM-VIQWUECVSA-N 2 1 349.563 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001026610830 1324932529 /nfs/dbraw/zinc/93/25/29/1324932529.db2.gz VJIAFWYAKLZOEA-MHJFOBGBSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cc[nH]c(=O)c1 ZINC000925219377 1325084372 /nfs/dbraw/zinc/08/43/72/1325084372.db2.gz DHBKECKSGYDQMD-JTDSTZFVSA-N 2 1 325.456 3.348 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cc[nH]c(=O)c1 ZINC000925219377 1325084378 /nfs/dbraw/zinc/08/43/78/1325084378.db2.gz DHBKECKSGYDQMD-JTDSTZFVSA-N 2 1 325.456 3.348 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963310267 1325094884 /nfs/dbraw/zinc/09/48/84/1325094884.db2.gz CWQAUNVLIMUYHJ-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963310267 1325094895 /nfs/dbraw/zinc/09/48/95/1325094895.db2.gz CWQAUNVLIMUYHJ-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000963310267 1325094902 /nfs/dbraw/zinc/09/49/02/1325094902.db2.gz CWQAUNVLIMUYHJ-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315764 1325100040 /nfs/dbraw/zinc/10/00/40/1325100040.db2.gz YGFYWPITURMRIO-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](CN3CC[C@H](C4CCCCC4)C3=O)C2)CC1 ZINC000853504725 1325107913 /nfs/dbraw/zinc/10/79/13/1325107913.db2.gz ODVDAOKFJXNLFY-VQTJNVASSA-N 2 1 347.547 3.036 20 0 EGADMP CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000963371839 1325177226 /nfs/dbraw/zinc/17/72/26/1325177226.db2.gz KFRFGNSHXDSMOA-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000963371839 1325177229 /nfs/dbraw/zinc/17/72/29/1325177229.db2.gz KFRFGNSHXDSMOA-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000925534454 1325196258 /nfs/dbraw/zinc/19/62/58/1325196258.db2.gz MQGQYLGYRPKFAI-RGWLIJMNSA-N 3 1 333.545 3.066 20 0 EGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000925534454 1325196263 /nfs/dbraw/zinc/19/62/63/1325196263.db2.gz MQGQYLGYRPKFAI-RGWLIJMNSA-N 3 1 333.545 3.066 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000925554899 1325205919 /nfs/dbraw/zinc/20/59/19/1325205919.db2.gz FALHSQITPDCHOX-KVPLUYHFSA-N 2 1 327.516 3.017 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000925666747 1325256267 /nfs/dbraw/zinc/25/62/67/1325256267.db2.gz QXWWZGRLZMZUKF-OALUTQOASA-N 2 1 327.516 3.161 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000963564049 1325321943 /nfs/dbraw/zinc/32/19/43/1325321943.db2.gz MJWFSNCWHZWGQA-SOAGJPPSSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)CC[NH+]1CCC(Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000926088780 1325419963 /nfs/dbraw/zinc/41/99/63/1325419963.db2.gz LWLWXKYIQQLEMM-UHFFFAOYSA-N 2 1 346.519 3.109 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CCC([NH2+]CC3CCCCC3)CC2)C1 ZINC000963902203 1325427672 /nfs/dbraw/zinc/42/76/72/1325427672.db2.gz HFJWYFZAODNKDQ-QHGAOEGBSA-N 2 1 349.563 3.268 20 0 EGADMP c1ccc(C[NH+]2CC[C@H](CN[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000926327575 1325517172 /nfs/dbraw/zinc/51/71/72/1325517172.db2.gz XWKHCVMPUKZLTR-NJDAHSKKSA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](CN[C@@H]3CCC[NH+]4CCCC[C@H]34)C2)cc1 ZINC000926327575 1325517181 /nfs/dbraw/zinc/51/71/81/1325517181.db2.gz XWKHCVMPUKZLTR-NJDAHSKKSA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN[C@@H]3CCC[NH+]4CCCC[C@H]34)C2)cc1 ZINC000926327575 1325517190 /nfs/dbraw/zinc/51/71/90/1325517190.db2.gz XWKHCVMPUKZLTR-NJDAHSKKSA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CCCN4CCCC[C@H]34)C2)cc1 ZINC000926327575 1325517200 /nfs/dbraw/zinc/51/72/00/1325517200.db2.gz XWKHCVMPUKZLTR-NJDAHSKKSA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCCN4CCCC[C@H]34)C2)cc1 ZINC000926327575 1325517204 /nfs/dbraw/zinc/51/72/04/1325517204.db2.gz XWKHCVMPUKZLTR-NJDAHSKKSA-N 2 1 327.516 3.115 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001027416842 1327643541 /nfs/dbraw/zinc/64/35/41/1327643541.db2.gz NHXZXYKMDLFDKK-MISYRCLQSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@H+](C)CCC3=CCCCC3)C2)CC[NH+]1C ZINC001027416842 1327643549 /nfs/dbraw/zinc/64/35/49/1327643549.db2.gz NHXZXYKMDLFDKK-MISYRCLQSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)CCC3=CCCCC3)C2)CC[NH+]1C ZINC001027416842 1327643553 /nfs/dbraw/zinc/64/35/53/1327643553.db2.gz NHXZXYKMDLFDKK-MISYRCLQSA-N 2 1 347.547 3.140 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC001027493657 1327753854 /nfs/dbraw/zinc/75/38/54/1327753854.db2.gz MEKVIULHDZZFHV-IBGZPJMESA-N 2 1 344.503 3.005 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC001027493657 1327753859 /nfs/dbraw/zinc/75/38/59/1327753859.db2.gz MEKVIULHDZZFHV-IBGZPJMESA-N 2 1 344.503 3.005 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CC3=CCCCC3)C2)CC[N@H+]1C ZINC001027547434 1327852614 /nfs/dbraw/zinc/85/26/14/1327852614.db2.gz SABYGFPOJXSDSQ-YSIASYRMSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)CC3=CCCCC3)C2)CC[NH+]1C ZINC001027547434 1327852625 /nfs/dbraw/zinc/85/26/25/1327852625.db2.gz SABYGFPOJXSDSQ-YSIASYRMSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)CC3=CCCCC3)C2)CC[NH+]1C ZINC001027547434 1327852630 /nfs/dbraw/zinc/85/26/30/1327852630.db2.gz SABYGFPOJXSDSQ-YSIASYRMSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCC2)C1)[NH+](C)C ZINC001027562969 1327883337 /nfs/dbraw/zinc/88/33/37/1327883337.db2.gz CBBRJEVKLKDJQB-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH+](C)CCC3=CCCCC3)C2)C1 ZINC001027576634 1327912629 /nfs/dbraw/zinc/91/26/29/1327912629.db2.gz SPJDKIQIWPGOEB-UYAOXDASSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H]([N@H+](C)CCC3=CCCCC3)C2)C1 ZINC001027576634 1327912636 /nfs/dbraw/zinc/91/26/36/1327912636.db2.gz SPJDKIQIWPGOEB-UYAOXDASSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H]([N@@H+](C)CCC3=CCCCC3)C2)C1 ZINC001027576634 1327912642 /nfs/dbraw/zinc/91/26/42/1327912642.db2.gz SPJDKIQIWPGOEB-UYAOXDASSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH+](C)CCC2=CCCCC2)C1 ZINC001027575940 1327913301 /nfs/dbraw/zinc/91/33/01/1327913301.db2.gz GSLZBSLTQHIGGH-UYAOXDASSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC001027575940 1327913314 /nfs/dbraw/zinc/91/33/14/1327913314.db2.gz GSLZBSLTQHIGGH-UYAOXDASSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC001027575940 1327913321 /nfs/dbraw/zinc/91/33/21/1327913321.db2.gz GSLZBSLTQHIGGH-UYAOXDASSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH+](C)CCC3=CCCCC3)C2)C1 ZINC001027576631 1327915126 /nfs/dbraw/zinc/91/51/26/1327915126.db2.gz SPJDKIQIWPGOEB-AZUAARDMSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H]([N@H+](C)CCC3=CCCCC3)C2)C1 ZINC001027576631 1327915134 /nfs/dbraw/zinc/91/51/34/1327915134.db2.gz SPJDKIQIWPGOEB-AZUAARDMSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H]([N@@H+](C)CCC3=CCCCC3)C2)C1 ZINC001027576631 1327915142 /nfs/dbraw/zinc/91/51/42/1327915142.db2.gz SPJDKIQIWPGOEB-AZUAARDMSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1)[NH+]1CCCCC1 ZINC001027694489 1328101166 /nfs/dbraw/zinc/10/11/66/1328101166.db2.gz AERKCTHVCCPCNU-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027694642 1328101307 /nfs/dbraw/zinc/10/13/07/1328101307.db2.gz FETBCOXUYSWKRU-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC2CCCCCC2)CC[N@H+]1C ZINC001027892864 1328357952 /nfs/dbraw/zinc/35/79/52/1328357952.db2.gz FZUCAZSHPVBWED-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCCC2)CC[NH+]1C ZINC001027892864 1328357960 /nfs/dbraw/zinc/35/79/60/1328357960.db2.gz FZUCAZSHPVBWED-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCCC2)CC[NH+]1C ZINC001027892864 1328357968 /nfs/dbraw/zinc/35/79/68/1328357968.db2.gz FZUCAZSHPVBWED-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027929671 1328407551 /nfs/dbraw/zinc/40/75/51/1328407551.db2.gz HWNKJOLZZMAKTD-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929671 1328407560 /nfs/dbraw/zinc/40/75/60/1328407560.db2.gz HWNKJOLZZMAKTD-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001027929671 1328407566 /nfs/dbraw/zinc/40/75/66/1328407566.db2.gz HWNKJOLZZMAKTD-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027971354 1328442960 /nfs/dbraw/zinc/44/29/60/1328442960.db2.gz FGYQBJHCVKQWOW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001027971354 1328442961 /nfs/dbraw/zinc/44/29/61/1328442961.db2.gz FGYQBJHCVKQWOW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001027971354 1328442966 /nfs/dbraw/zinc/44/29/66/1328442966.db2.gz FGYQBJHCVKQWOW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027971573 1328444155 /nfs/dbraw/zinc/44/41/55/1328444155.db2.gz HPNWOBDHVDQQMT-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC001027971573 1328444157 /nfs/dbraw/zinc/44/41/57/1328444157.db2.gz HPNWOBDHVDQQMT-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCCC1 ZINC001027971573 1328444162 /nfs/dbraw/zinc/44/41/62/1328444162.db2.gz HPNWOBDHVDQQMT-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001027986400 1328458316 /nfs/dbraw/zinc/45/83/16/1328458316.db2.gz WCDXHDIPSDDZBO-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001027986400 1328458318 /nfs/dbraw/zinc/45/83/18/1328458318.db2.gz WCDXHDIPSDDZBO-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC001027986400 1328458319 /nfs/dbraw/zinc/45/83/19/1328458319.db2.gz WCDXHDIPSDDZBO-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH+](C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000862481901 1329489772 /nfs/dbraw/zinc/48/97/72/1329489772.db2.gz APACTFOIBBWTRT-HMXCVIKNSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[N@H+](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000862481901 1329489774 /nfs/dbraw/zinc/48/97/74/1329489774.db2.gz APACTFOIBBWTRT-HMXCVIKNSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[N@@H+](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000862481901 1329489775 /nfs/dbraw/zinc/48/97/75/1329489775.db2.gz APACTFOIBBWTRT-HMXCVIKNSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CN(Cc2ccccc2)C1 ZINC000862481901 1329489777 /nfs/dbraw/zinc/48/97/77/1329489777.db2.gz APACTFOIBBWTRT-HMXCVIKNSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CN(Cc2ccccc2)C1 ZINC000862481901 1329489779 /nfs/dbraw/zinc/48/97/79/1329489779.db2.gz APACTFOIBBWTRT-HMXCVIKNSA-N 2 1 329.532 3.219 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC000865437207 1329697281 /nfs/dbraw/zinc/69/72/81/1329697281.db2.gz CUCVLIQKGJPHPP-AWEZNQCLSA-N 2 1 348.441 3.187 20 0 EGADMP Cc1nccn1CCCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931794538 1329761487 /nfs/dbraw/zinc/76/14/87/1329761487.db2.gz AMEBQHJFKJEDFR-HXUWFJFHSA-N 2 1 335.455 3.343 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931794538 1329761489 /nfs/dbraw/zinc/76/14/89/1329761489.db2.gz AMEBQHJFKJEDFR-HXUWFJFHSA-N 2 1 335.455 3.343 20 0 EGADMP CC(C)[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccccn1 ZINC000866359895 1330101917 /nfs/dbraw/zinc/10/19/17/1330101917.db2.gz SPPCETOKDLPQEG-FQEVSTJZSA-N 2 1 342.487 3.294 20 0 EGADMP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC000939541761 1330455471 /nfs/dbraw/zinc/45/54/71/1330455471.db2.gz PTXKBWUHKQYUGO-NVXWUHKLSA-N 2 1 344.503 3.014 20 0 EGADMP C[C@H]1C[N@@H+](CC2=CCCCC2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556170 1331971424 /nfs/dbraw/zinc/97/14/24/1331971424.db2.gz WKDZFOBQSPDVIH-PKOBYXMFSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCCC3CCC3)C[C@H]2CC1)[NH+](C)C ZINC000946642309 1332868775 /nfs/dbraw/zinc/86/87/75/1332868775.db2.gz DJQYHAVJXNZSBF-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946807916 1332904637 /nfs/dbraw/zinc/90/46/37/1332904637.db2.gz GMCSKKNHYPIHBG-ZCNNSNEGSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946807916 1332904640 /nfs/dbraw/zinc/90/46/40/1332904640.db2.gz GMCSKKNHYPIHBG-ZCNNSNEGSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946807916 1332904644 /nfs/dbraw/zinc/90/46/44/1332904644.db2.gz GMCSKKNHYPIHBG-ZCNNSNEGSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902369 1332928831 /nfs/dbraw/zinc/92/88/31/1332928831.db2.gz MOLVUSHEXLLRRL-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC[C@@H]2C1 ZINC000946902369 1332928833 /nfs/dbraw/zinc/92/88/33/1332928833.db2.gz MOLVUSHEXLLRRL-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC[C@@H]2C1 ZINC000946902369 1332928834 /nfs/dbraw/zinc/92/88/34/1332928834.db2.gz MOLVUSHEXLLRRL-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@H+]1CCC1CC1 ZINC000947361803 1333103308 /nfs/dbraw/zinc/10/33/08/1333103308.db2.gz RLCSGFPENVLMTB-RHSMWYFYSA-N 2 1 349.544 3.193 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1CC1CCCC1 ZINC000947437809 1333127392 /nfs/dbraw/zinc/12/73/92/1333127392.db2.gz SWZYYCYPVYTQAX-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1CC(C)(C)C1 ZINC000947615827 1333194093 /nfs/dbraw/zinc/19/40/93/1333194093.db2.gz LSMACOHJKQDSEK-AEFFLSMTSA-N 2 1 349.563 3.266 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)[C@@H](C)C2)CC1 ZINC000947851865 1333280204 /nfs/dbraw/zinc/28/02/04/1333280204.db2.gz BIPLKEOALWLFSY-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947882766 1333290342 /nfs/dbraw/zinc/29/03/42/1333290342.db2.gz WRRBWNSFSWNEEO-IEBWSBKVSA-N 2 1 337.552 3.122 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)[C@@H](C)C1 ZINC000948044325 1333352203 /nfs/dbraw/zinc/35/22/03/1333352203.db2.gz PDVCPVSQOYUXII-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)[C@@H](C)C1 ZINC000948044325 1333352206 /nfs/dbraw/zinc/35/22/06/1333352206.db2.gz PDVCPVSQOYUXII-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948374972 1333501008 /nfs/dbraw/zinc/50/10/08/1333501008.db2.gz ZRRVXPMVXHKNCJ-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC000948416467 1333516621 /nfs/dbraw/zinc/51/66/21/1333516621.db2.gz GKPUOHCDONUUDX-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948416467 1333516622 /nfs/dbraw/zinc/51/66/22/1333516622.db2.gz GKPUOHCDONUUDX-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948416467 1333516624 /nfs/dbraw/zinc/51/66/24/1333516624.db2.gz GKPUOHCDONUUDX-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439761 1333526467 /nfs/dbraw/zinc/52/64/67/1333526467.db2.gz VDYZSDFPIOJJMU-HKUYNNGSSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439761 1333526470 /nfs/dbraw/zinc/52/64/70/1333526470.db2.gz VDYZSDFPIOJJMU-HKUYNNGSSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439761 1333526473 /nfs/dbraw/zinc/52/64/73/1333526473.db2.gz VDYZSDFPIOJJMU-HKUYNNGSSA-N 2 1 335.536 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948439974 1333526590 /nfs/dbraw/zinc/52/65/90/1333526590.db2.gz XWGFNWJPZZRFRC-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948439974 1333526592 /nfs/dbraw/zinc/52/65/92/1333526592.db2.gz XWGFNWJPZZRFRC-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948439974 1333526594 /nfs/dbraw/zinc/52/65/94/1333526594.db2.gz XWGFNWJPZZRFRC-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000948935242 1333739695 /nfs/dbraw/zinc/73/96/95/1333739695.db2.gz CNSCCGLYIUFCHU-HXUWFJFHSA-N 2 1 348.450 3.074 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[NH+](CCC2CCCC2)CC1 ZINC000949011772 1333765564 /nfs/dbraw/zinc/76/55/64/1333765564.db2.gz HVEYWHNOEORQMP-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1C[NH+](CCC2CCCCC2)C1 ZINC000950063081 1334006208 /nfs/dbraw/zinc/00/62/08/1334006208.db2.gz DBPAONPEPDGUPW-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000951628012 1334281280 /nfs/dbraw/zinc/28/12/80/1334281280.db2.gz FQLUVUIDYOWNNS-PMACEKPBSA-N 2 1 345.531 3.038 20 0 EGADMP O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000951628012 1334281283 /nfs/dbraw/zinc/28/12/83/1334281283.db2.gz FQLUVUIDYOWNNS-PMACEKPBSA-N 2 1 345.531 3.038 20 0 EGADMP O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000951628156 1334281481 /nfs/dbraw/zinc/28/14/81/1334281481.db2.gz JLLKDXYMMLDHHN-UXHICEINSA-N 2 1 347.547 3.118 20 0 EGADMP O=C([C@@H]1CCC[C@@H]2CCC[N@H+]21)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000951628156 1334281484 /nfs/dbraw/zinc/28/14/84/1334281484.db2.gz JLLKDXYMMLDHHN-UXHICEINSA-N 2 1 347.547 3.118 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1C[NH+](CCCC2CCC2)C1 ZINC000952444197 1334460643 /nfs/dbraw/zinc/46/06/43/1334460643.db2.gz JMKADVDXAFVNKP-QUCCMNQESA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1C[NH+](CCCC2CCC2)C1 ZINC000952444197 1334460644 /nfs/dbraw/zinc/46/06/44/1334460644.db2.gz JMKADVDXAFVNKP-QUCCMNQESA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2CCCCC2)C[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968332749 1335891765 /nfs/dbraw/zinc/89/17/65/1335891765.db2.gz YLMKVOFKALVVTE-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC2CCCCC2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000968332749 1335891768 /nfs/dbraw/zinc/89/17/68/1335891768.db2.gz YLMKVOFKALVVTE-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC2CCCCC2)C[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000968332749 1335891771 /nfs/dbraw/zinc/89/17/71/1335891771.db2.gz YLMKVOFKALVVTE-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2=CCCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968330960 1335892047 /nfs/dbraw/zinc/89/20/47/1335892047.db2.gz ICJSNIIAFCGOCX-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1CC[NH+](CC2=CCCCC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000968330960 1335892049 /nfs/dbraw/zinc/89/20/49/1335892049.db2.gz ICJSNIIAFCGOCX-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1CC[NH+](CC2=CCCCC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000968330960 1335892052 /nfs/dbraw/zinc/89/20/52/1335892052.db2.gz ICJSNIIAFCGOCX-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000968645386 1335994729 /nfs/dbraw/zinc/99/47/29/1335994729.db2.gz YFCDDIWFXQCSOM-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000968645210 1335995127 /nfs/dbraw/zinc/99/51/27/1335995127.db2.gz RCMJYRMGWZQHDI-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000968647289 1335996368 /nfs/dbraw/zinc/99/63/68/1335996368.db2.gz JYGKEJIWKDRQBA-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000968732693 1336030009 /nfs/dbraw/zinc/03/00/09/1336030009.db2.gz RFMTVHZAXMIMJW-FUHWJXTLSA-N 2 1 344.503 3.088 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCCCCC1 ZINC000968782271 1336048752 /nfs/dbraw/zinc/04/87/52/1336048752.db2.gz UWJSSETVBNQPQG-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCCCCC1 ZINC000968782271 1336048754 /nfs/dbraw/zinc/04/87/54/1336048754.db2.gz UWJSSETVBNQPQG-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCCCCC1 ZINC000968782271 1336048756 /nfs/dbraw/zinc/04/87/56/1336048756.db2.gz UWJSSETVBNQPQG-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968857148 1336070300 /nfs/dbraw/zinc/07/03/00/1336070300.db2.gz UQFXKXGTKKTFQE-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968887807 1336080683 /nfs/dbraw/zinc/08/06/83/1336080683.db2.gz MYYJXWVKMVQBQY-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000968887807 1336080688 /nfs/dbraw/zinc/08/06/88/1336080688.db2.gz MYYJXWVKMVQBQY-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000968887807 1336080690 /nfs/dbraw/zinc/08/06/90/1336080690.db2.gz MYYJXWVKMVQBQY-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968913607 1336086877 /nfs/dbraw/zinc/08/68/77/1336086877.db2.gz HYPFJWLWTPEVFE-GOSISDBHSA-N 2 1 335.536 3.023 20 0 EGADMP CC(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936503 1336095652 /nfs/dbraw/zinc/09/56/52/1336095652.db2.gz JSQBHGOGXJVNKA-GOSISDBHSA-N 2 1 342.487 3.355 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000968971039 1336104982 /nfs/dbraw/zinc/10/49/82/1336104982.db2.gz QTXFTGYXYITJRR-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CC2CCC2)C1 ZINC000968990322 1336111917 /nfs/dbraw/zinc/11/19/17/1336111917.db2.gz ASJSXTJMXXZURN-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC2CCC2)C1 ZINC000968990322 1336111919 /nfs/dbraw/zinc/11/19/19/1336111919.db2.gz ASJSXTJMXXZURN-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC2CCC2)C1 ZINC000968990322 1336111921 /nfs/dbraw/zinc/11/19/21/1336111921.db2.gz ASJSXTJMXXZURN-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969059809 1336133428 /nfs/dbraw/zinc/13/34/28/1336133428.db2.gz RRBMHMGWCIHBSY-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000969059809 1336133432 /nfs/dbraw/zinc/13/34/32/1336133432.db2.gz RRBMHMGWCIHBSY-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000969059809 1336133434 /nfs/dbraw/zinc/13/34/34/1336133434.db2.gz RRBMHMGWCIHBSY-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CCc1cc(Br)ccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205316734 1370719136 /nfs/dbraw/zinc/71/91/36/1370719136.db2.gz KVTNOGNTZOCWOT-WFASDCNBSA-N 2 1 325.294 3.428 20 0 EGADMP CCc1cc(Br)ccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205316734 1370719141 /nfs/dbraw/zinc/71/91/41/1370719141.db2.gz KVTNOGNTZOCWOT-WFASDCNBSA-N 2 1 325.294 3.428 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000970028634 1336272989 /nfs/dbraw/zinc/27/29/89/1336272989.db2.gz WGNUDGKCZHKTJO-FXAWDEMLSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326354 1336294675 /nfs/dbraw/zinc/29/46/75/1336294675.db2.gz QKUQFGLSZAPWRE-FXAWDEMLSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ccsc2)CC1 ZINC001005478788 1336358317 /nfs/dbraw/zinc/35/83/17/1336358317.db2.gz ZKURJNRLPYZOKH-SFHVURJKSA-N 2 1 349.544 3.045 20 0 EGADMP CN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005581271 1336374937 /nfs/dbraw/zinc/37/49/37/1336374937.db2.gz KIPIQUPCRTVWKW-OALUTQOASA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001005580486 1336375171 /nfs/dbraw/zinc/37/51/71/1336375171.db2.gz HCGOZTFJQRRFON-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001007500346 1336658324 /nfs/dbraw/zinc/65/83/24/1336658324.db2.gz SHMLDWBUYKVZMQ-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001007500346 1336658325 /nfs/dbraw/zinc/65/83/25/1336658325.db2.gz SHMLDWBUYKVZMQ-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001007500346 1336658327 /nfs/dbraw/zinc/65/83/27/1336658327.db2.gz SHMLDWBUYKVZMQ-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001007646789 1336682685 /nfs/dbraw/zinc/68/26/85/1336682685.db2.gz QGWVOETYRNLKCB-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001007646789 1336682688 /nfs/dbraw/zinc/68/26/88/1336682688.db2.gz QGWVOETYRNLKCB-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001007646789 1336682691 /nfs/dbraw/zinc/68/26/91/1336682691.db2.gz QGWVOETYRNLKCB-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001007649681 1336683565 /nfs/dbraw/zinc/68/35/65/1336683565.db2.gz WTTHIKHRQRYKJK-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001007649681 1336683567 /nfs/dbraw/zinc/68/35/67/1336683567.db2.gz WTTHIKHRQRYKJK-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001007649681 1336683568 /nfs/dbraw/zinc/68/35/68/1336683568.db2.gz WTTHIKHRQRYKJK-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001007651129 1336684228 /nfs/dbraw/zinc/68/42/28/1336684228.db2.gz ZQFFQIAPLBTHAW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001007651129 1336684229 /nfs/dbraw/zinc/68/42/29/1336684229.db2.gz ZQFFQIAPLBTHAW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001007651129 1336684231 /nfs/dbraw/zinc/68/42/31/1336684231.db2.gz ZQFFQIAPLBTHAW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001007651129 1336684233 /nfs/dbraw/zinc/68/42/33/1336684233.db2.gz ZQFFQIAPLBTHAW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001007947436 1336737396 /nfs/dbraw/zinc/73/73/96/1336737396.db2.gz GEZAYAVYLCVHCP-VQIMIIECSA-N 2 1 348.450 3.290 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001008749291 1336919737 /nfs/dbraw/zinc/91/97/37/1336919737.db2.gz RYDYIEMGGGYLAN-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP COc1cccc(Br)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206028248 1370943173 /nfs/dbraw/zinc/94/31/73/1370943173.db2.gz XXTJWFSHKLDCPS-OLZOCXBDSA-N 2 1 341.293 3.265 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009682570 1337059207 /nfs/dbraw/zinc/05/92/07/1337059207.db2.gz OYWXDSUVBYIAMZ-MRXNPFEDSA-N 2 1 335.492 3.116 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1)[NH+]1CCCCC1 ZINC001014447842 1337780336 /nfs/dbraw/zinc/78/03/36/1337780336.db2.gz QHHJFOMRQBRYDQ-GOSISDBHSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001014728493 1337888897 /nfs/dbraw/zinc/88/88/97/1337888897.db2.gz MSHSLZCYEIGUMT-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CC2CCCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001014728493 1337888901 /nfs/dbraw/zinc/88/89/01/1337888901.db2.gz MSHSLZCYEIGUMT-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CC2CCCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001014728493 1337888902 /nfs/dbraw/zinc/88/89/02/1337888902.db2.gz MSHSLZCYEIGUMT-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001014728498 1337889004 /nfs/dbraw/zinc/88/90/04/1337889004.db2.gz MSHSLZCYEIGUMT-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CC2CCCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001014728498 1337889006 /nfs/dbraw/zinc/88/90/06/1337889006.db2.gz MSHSLZCYEIGUMT-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CC2CCCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001014728498 1337889008 /nfs/dbraw/zinc/88/90/08/1337889008.db2.gz MSHSLZCYEIGUMT-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015713611 1338272379 /nfs/dbraw/zinc/27/23/79/1338272379.db2.gz POFXUMCSRIHYOM-FQEVSTJZSA-N 2 1 345.531 3.031 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001015794641 1338314378 /nfs/dbraw/zinc/31/43/78/1338314378.db2.gz IPGYJVUAGOBMFE-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015796224 1338315127 /nfs/dbraw/zinc/31/51/27/1338315127.db2.gz WCTCWYIXBQYSIT-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@@H+](CCC3CCCCCC3)C2)CC1 ZINC001015796738 1338315348 /nfs/dbraw/zinc/31/53/48/1338315348.db2.gz PRBGGKQAFGNIEA-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CCCCC3)C2)CC1 ZINC001015930164 1338363267 /nfs/dbraw/zinc/36/32/67/1338363267.db2.gz IVKXHGSAFUVYFY-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001015974028 1338387128 /nfs/dbraw/zinc/38/71/28/1338387128.db2.gz WTZVCOCBTDPZGD-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001015974028 1338387130 /nfs/dbraw/zinc/38/71/30/1338387130.db2.gz WTZVCOCBTDPZGD-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001015974028 1338387134 /nfs/dbraw/zinc/38/71/34/1338387134.db2.gz WTZVCOCBTDPZGD-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001016339912 1338555333 /nfs/dbraw/zinc/55/53/33/1338555333.db2.gz SFXFAZQTTUYLJE-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001016339912 1338555338 /nfs/dbraw/zinc/55/53/38/1338555338.db2.gz SFXFAZQTTUYLJE-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001016339912 1338555344 /nfs/dbraw/zinc/55/53/44/1338555344.db2.gz SFXFAZQTTUYLJE-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001016788528 1338727573 /nfs/dbraw/zinc/72/75/73/1338727573.db2.gz ZPPTZAYYRVKTRU-RTBURBONSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001016830765 1338740467 /nfs/dbraw/zinc/74/04/67/1338740467.db2.gz VIVZCCIMTZWRTM-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@@H+](CC1CCC1)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001017129123 1338884725 /nfs/dbraw/zinc/88/47/25/1338884725.db2.gz YARMISCFAAAQFZ-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001017611783 1339377438 /nfs/dbraw/zinc/37/74/38/1339377438.db2.gz YWEAHYBKGLKNED-AQNXPRMDSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001017611783 1339377442 /nfs/dbraw/zinc/37/74/42/1339377442.db2.gz YWEAHYBKGLKNED-AQNXPRMDSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001017611783 1339377444 /nfs/dbraw/zinc/37/74/44/1339377444.db2.gz YWEAHYBKGLKNED-AQNXPRMDSA-N 2 1 349.563 3.076 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001028104127 1340427473 /nfs/dbraw/zinc/42/74/73/1340427473.db2.gz FQWBXRAJYOAZNU-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCC1 ZINC001028104127 1340427474 /nfs/dbraw/zinc/42/74/74/1340427474.db2.gz FQWBXRAJYOAZNU-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001028181283 1340472026 /nfs/dbraw/zinc/47/20/26/1340472026.db2.gz QFRIEQGNODKRBT-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001028181283 1340472029 /nfs/dbraw/zinc/47/20/29/1340472029.db2.gz QFRIEQGNODKRBT-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001028181283 1340472034 /nfs/dbraw/zinc/47/20/34/1340472034.db2.gz QFRIEQGNODKRBT-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001028203406 1340482370 /nfs/dbraw/zinc/48/23/70/1340482370.db2.gz UKJLUMBEDPQBRA-FQEVSTJZSA-N 2 1 345.531 3.379 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCCC1 ZINC001028335205 1340572283 /nfs/dbraw/zinc/57/22/83/1340572283.db2.gz PPPKFWNFZOKHTH-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC001028335205 1340572289 /nfs/dbraw/zinc/57/22/89/1340572289.db2.gz PPPKFWNFZOKHTH-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCCC1 ZINC001028335205 1340572293 /nfs/dbraw/zinc/57/22/93/1340572293.db2.gz PPPKFWNFZOKHTH-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001028647101 1340741983 /nfs/dbraw/zinc/74/19/83/1340741983.db2.gz FIGJGZQXWWGVEG-PMACEKPBSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001028647101 1340741986 /nfs/dbraw/zinc/74/19/86/1340741986.db2.gz FIGJGZQXWWGVEG-PMACEKPBSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001028647101 1340741989 /nfs/dbraw/zinc/74/19/89/1340741989.db2.gz FIGJGZQXWWGVEG-PMACEKPBSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755239 1340791711 /nfs/dbraw/zinc/79/17/11/1340791711.db2.gz JTENJLQYQKFKNI-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755239 1340791714 /nfs/dbraw/zinc/79/17/14/1340791714.db2.gz JTENJLQYQKFKNI-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755239 1340791716 /nfs/dbraw/zinc/79/17/16/1340791716.db2.gz JTENJLQYQKFKNI-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001028844735 1340856365 /nfs/dbraw/zinc/85/63/65/1340856365.db2.gz BGIQOUFRURHMDJ-HKUYNNGSSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001028844735 1340856371 /nfs/dbraw/zinc/85/63/71/1340856371.db2.gz BGIQOUFRURHMDJ-HKUYNNGSSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001028844735 1340856375 /nfs/dbraw/zinc/85/63/75/1340856375.db2.gz BGIQOUFRURHMDJ-HKUYNNGSSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001028901939 1340879024 /nfs/dbraw/zinc/87/90/24/1340879024.db2.gz KSFZDGUENRQJRJ-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCC(C)C)C2)o1 ZINC001029012609 1340909147 /nfs/dbraw/zinc/90/91/47/1340909147.db2.gz ORAMLKJPFDEXRR-KRWDZBQOSA-N 2 1 349.519 3.219 20 0 EGADMP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001029154943 1340944705 /nfs/dbraw/zinc/94/47/05/1340944705.db2.gz UCSAQXGJFWIQCF-INIZCTEOSA-N 2 1 334.508 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]C(C)C)CC1 ZINC001029163680 1340946076 /nfs/dbraw/zinc/94/60/76/1340946076.db2.gz AXQLGDRYNYGEIT-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CC2)CC1 ZINC001029163879 1340946199 /nfs/dbraw/zinc/94/61/99/1340946199.db2.gz COGDAAYAUAKDNQ-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)C1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC2CCCC2)CCC1 ZINC001029337187 1340973729 /nfs/dbraw/zinc/97/37/29/1340973729.db2.gz KKUUBKBJEBIEOY-KDURUIRLSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1)[NH+](C)C ZINC001029347428 1340975123 /nfs/dbraw/zinc/97/51/23/1340975123.db2.gz VDBZEPITGLPDNT-ZCNNSNEGSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1)[NH+]1CCCC1 ZINC001029420131 1340986364 /nfs/dbraw/zinc/98/63/64/1340986364.db2.gz XHWHTZFHNAQTKC-KDURUIRLSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029738734 1341059387 /nfs/dbraw/zinc/05/93/87/1341059387.db2.gz CQCCCSLNSCBEPH-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029738734 1341059389 /nfs/dbraw/zinc/05/93/89/1341059389.db2.gz CQCCCSLNSCBEPH-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029738734 1341059391 /nfs/dbraw/zinc/05/93/91/1341059391.db2.gz CQCCCSLNSCBEPH-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001029799916 1341077039 /nfs/dbraw/zinc/07/70/39/1341077039.db2.gz HPZHHYVXAIZQDX-KRWDZBQOSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH+](C)CC2CCC2)CC1 ZINC001030002896 1341153775 /nfs/dbraw/zinc/15/37/75/1341153775.db2.gz SAVRIZJPHVUVJK-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1 ZINC001030002896 1341153776 /nfs/dbraw/zinc/15/37/76/1341153776.db2.gz SAVRIZJPHVUVJK-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1 ZINC001030002896 1341153777 /nfs/dbraw/zinc/15/37/77/1341153777.db2.gz SAVRIZJPHVUVJK-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC(C[N@@H+](C)CC3CCC3)CC2)C1 ZINC001030010466 1341156863 /nfs/dbraw/zinc/15/68/63/1341156863.db2.gz ROCHLLGMNAMARS-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+]2CCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001030032217 1341162431 /nfs/dbraw/zinc/16/24/31/1341162431.db2.gz GMAGONBGIYIZTQ-WSTZPKSXSA-N 2 1 343.515 3.039 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+]2CCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001030032217 1341162432 /nfs/dbraw/zinc/16/24/32/1341162432.db2.gz GMAGONBGIYIZTQ-WSTZPKSXSA-N 2 1 343.515 3.039 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+]2CCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001030032217 1341162433 /nfs/dbraw/zinc/16/24/33/1341162433.db2.gz GMAGONBGIYIZTQ-WSTZPKSXSA-N 2 1 343.515 3.039 20 0 EGADMP CC(C)(C(=O)NC1C[NH+](CC2CCC(C)(C)CC2)C1)[NH+]1CCCCC1 ZINC001030313389 1341177999 /nfs/dbraw/zinc/17/79/99/1341177999.db2.gz VLMSICGZFBGQLA-UHFFFAOYSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](CCC3CCCCCC3)C2)C1 ZINC001030432302 1341186906 /nfs/dbraw/zinc/18/69/06/1341186906.db2.gz CYHHWRKFFPUZNV-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCC2CCCCC2)C1 ZINC001031234682 1341301445 /nfs/dbraw/zinc/30/14/45/1341301445.db2.gz GLFDSKMZLIEKRZ-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCC2CCCCC2)C1 ZINC001031234682 1341301447 /nfs/dbraw/zinc/30/14/47/1341301447.db2.gz GLFDSKMZLIEKRZ-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC1C[NH+](CCCC2CCCC2)C1 ZINC001031438094 1341341901 /nfs/dbraw/zinc/34/19/01/1341341901.db2.gz SIMFKOYENQUCOC-UHFFFAOYSA-N 2 1 343.515 3.133 20 0 EGADMP O=C(NCC1C[NH+](CC2CCCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001031730619 1341394495 /nfs/dbraw/zinc/39/44/95/1341394495.db2.gz SNXRODNJNUUNQU-HXUWFJFHSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCCCC2)C1 ZINC001031802622 1341403869 /nfs/dbraw/zinc/40/38/69/1341403869.db2.gz TYBUQZWFGUPCDF-HXUWFJFHSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CCCCCC2)C1 ZINC001032027115 1341441707 /nfs/dbraw/zinc/44/17/07/1341441707.db2.gz ODQQTDXNZNONIJ-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCCC1 ZINC001032664346 1341575867 /nfs/dbraw/zinc/57/58/67/1341575867.db2.gz YKPPUMGGOFPFJE-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCC1 ZINC001032664346 1341575868 /nfs/dbraw/zinc/57/58/68/1341575868.db2.gz YKPPUMGGOFPFJE-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCC1 ZINC001032664346 1341575869 /nfs/dbraw/zinc/57/58/69/1341575869.db2.gz YKPPUMGGOFPFJE-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CCCCC1)[NH+]1CCCCCC1 ZINC001032664697 1341575892 /nfs/dbraw/zinc/57/58/92/1341575892.db2.gz OCSCHVZPYKHBIT-HOJAQTOUSA-N 2 1 345.531 3.036 20 0 EGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828361 1341629016 /nfs/dbraw/zinc/62/90/16/1341629016.db2.gz NSDYOKFUPZQBKJ-RCCFBDPRSA-N 2 1 349.906 3.076 20 0 EGADMP CC[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032828361 1341629017 /nfs/dbraw/zinc/62/90/17/1341629017.db2.gz NSDYOKFUPZQBKJ-RCCFBDPRSA-N 2 1 349.906 3.076 20 0 EGADMP CC[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032828361 1341629018 /nfs/dbraw/zinc/62/90/18/1341629018.db2.gz NSDYOKFUPZQBKJ-RCCFBDPRSA-N 2 1 349.906 3.076 20 0 EGADMP CN(C(=O)c1sccc1C[NH+](C)C)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033123863 1341732828 /nfs/dbraw/zinc/73/28/28/1341732828.db2.gz SRLDMFKAIVVDDL-KRWDZBQOSA-N 2 1 349.544 3.146 20 0 EGADMP CN(C(=O)c1sccc1C[NH+](C)C)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033123863 1341732829 /nfs/dbraw/zinc/73/28/29/1341732829.db2.gz SRLDMFKAIVVDDL-KRWDZBQOSA-N 2 1 349.544 3.146 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033125183 1341733535 /nfs/dbraw/zinc/73/35/35/1341733535.db2.gz AIPVZRZLLUTGLK-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033125183 1341733537 /nfs/dbraw/zinc/73/35/37/1341733537.db2.gz AIPVZRZLLUTGLK-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033125183 1341733539 /nfs/dbraw/zinc/73/35/39/1341733539.db2.gz AIPVZRZLLUTGLK-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033146438 1341739697 /nfs/dbraw/zinc/73/96/97/1341739697.db2.gz PEUJONRPQOSHPU-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033146438 1341739698 /nfs/dbraw/zinc/73/96/98/1341739698.db2.gz PEUJONRPQOSHPU-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033146438 1341739700 /nfs/dbraw/zinc/73/97/00/1341739700.db2.gz PEUJONRPQOSHPU-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001033354083 1341794015 /nfs/dbraw/zinc/79/40/15/1341794015.db2.gz NCRDNYQWSROBCJ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001033354083 1341794016 /nfs/dbraw/zinc/79/40/16/1341794016.db2.gz NCRDNYQWSROBCJ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001033354083 1341794017 /nfs/dbraw/zinc/79/40/17/1341794017.db2.gz NCRDNYQWSROBCJ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365532 1341797663 /nfs/dbraw/zinc/79/76/63/1341797663.db2.gz OQSBCLQAYSDSNL-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365532 1341797665 /nfs/dbraw/zinc/79/76/65/1341797665.db2.gz OQSBCLQAYSDSNL-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365532 1341797667 /nfs/dbraw/zinc/79/76/67/1341797667.db2.gz OQSBCLQAYSDSNL-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CN(C(=O)c1occc1C[NH+](C)C)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033373067 1341800600 /nfs/dbraw/zinc/80/06/00/1341800600.db2.gz NTAGDMBXLARCCF-GOSISDBHSA-N 2 1 347.503 3.068 20 0 EGADMP CN(C(=O)c1occc1C[NH+](C)C)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033373067 1341800602 /nfs/dbraw/zinc/80/06/02/1341800602.db2.gz NTAGDMBXLARCCF-GOSISDBHSA-N 2 1 347.503 3.068 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001033420446 1341821763 /nfs/dbraw/zinc/82/17/63/1341821763.db2.gz OZNHCHZEDBXAEG-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001033420446 1341821764 /nfs/dbraw/zinc/82/17/64/1341821764.db2.gz OZNHCHZEDBXAEG-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001033420446 1341821765 /nfs/dbraw/zinc/82/17/65/1341821765.db2.gz OZNHCHZEDBXAEG-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001033467861 1341837612 /nfs/dbraw/zinc/83/76/12/1341837612.db2.gz RQZLDHKBONCYCP-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCC(C)C)C1 ZINC001033575358 1341880714 /nfs/dbraw/zinc/88/07/14/1341880714.db2.gz QYECUEUWJZZOMD-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001033575358 1341880716 /nfs/dbraw/zinc/88/07/16/1341880716.db2.gz QYECUEUWJZZOMD-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033575358 1341880718 /nfs/dbraw/zinc/88/07/18/1341880718.db2.gz QYECUEUWJZZOMD-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033664030 1341934691 /nfs/dbraw/zinc/93/46/91/1341934691.db2.gz BLUUZWHVLSPOKV-YJBOKZPZSA-N 2 1 349.906 3.030 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033664030 1341934693 /nfs/dbraw/zinc/93/46/93/1341934693.db2.gz BLUUZWHVLSPOKV-YJBOKZPZSA-N 2 1 349.906 3.030 20 0 EGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033832901 1342033317 /nfs/dbraw/zinc/03/33/17/1342033317.db2.gz BIZUMWCVRYYSKO-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033832901 1342033326 /nfs/dbraw/zinc/03/33/26/1342033326.db2.gz BIZUMWCVRYYSKO-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033832901 1342033328 /nfs/dbraw/zinc/03/33/28/1342033328.db2.gz BIZUMWCVRYYSKO-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033940920 1342102537 /nfs/dbraw/zinc/10/25/37/1342102537.db2.gz LILNARRGPBNJDV-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033988743 1342132816 /nfs/dbraw/zinc/13/28/16/1342132816.db2.gz IINGXTGEGULHLO-FQEVSTJZSA-N 2 1 343.515 3.085 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033989118 1342132898 /nfs/dbraw/zinc/13/28/98/1342132898.db2.gz KMXMRUPHNFTDHK-PXNSSMCTSA-N 2 1 345.531 3.331 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001034051583 1342193721 /nfs/dbraw/zinc/19/37/21/1342193721.db2.gz YTDZHQYAXHAQAE-KRWDZBQOSA-N 2 1 349.519 3.314 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034131581 1342261525 /nfs/dbraw/zinc/26/15/25/1342261525.db2.gz NQFMDYFZKRDMSB-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCCCCC2)C1 ZINC001034131581 1342261529 /nfs/dbraw/zinc/26/15/29/1342261529.db2.gz NQFMDYFZKRDMSB-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCCCC2)C1 ZINC001034131581 1342261531 /nfs/dbraw/zinc/26/15/31/1342261531.db2.gz NQFMDYFZKRDMSB-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCCC3)C2)C1 ZINC001034237949 1342339417 /nfs/dbraw/zinc/33/94/17/1342339417.db2.gz DJGPZCMLQXURHV-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CC3CCCC3)C2)C1 ZINC001034237949 1342339419 /nfs/dbraw/zinc/33/94/19/1342339419.db2.gz DJGPZCMLQXURHV-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CC3CCCC3)C2)C1 ZINC001034237949 1342339423 /nfs/dbraw/zinc/33/94/23/1342339423.db2.gz DJGPZCMLQXURHV-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034249963 1342346670 /nfs/dbraw/zinc/34/66/70/1342346670.db2.gz NNKCJRCMRFSLDN-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034249963 1342346675 /nfs/dbraw/zinc/34/66/75/1342346675.db2.gz NNKCJRCMRFSLDN-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034249963 1342346677 /nfs/dbraw/zinc/34/66/77/1342346677.db2.gz NNKCJRCMRFSLDN-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034251232 1342347582 /nfs/dbraw/zinc/34/75/82/1342347582.db2.gz XJHAFDKDXHIKIJ-AZUAARDMSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034251232 1342347586 /nfs/dbraw/zinc/34/75/86/1342347586.db2.gz XJHAFDKDXHIKIJ-AZUAARDMSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034251232 1342347589 /nfs/dbraw/zinc/34/75/89/1342347589.db2.gz XJHAFDKDXHIKIJ-AZUAARDMSA-N 2 1 347.547 3.330 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](CCCC2CCCC2)C1 ZINC001034310000 1342392711 /nfs/dbraw/zinc/39/27/11/1342392711.db2.gz RICROKHVZGUIFR-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](CCCC2CCCC2)C1 ZINC001034310000 1342392712 /nfs/dbraw/zinc/39/27/12/1342392712.db2.gz RICROKHVZGUIFR-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444335 1342504242 /nfs/dbraw/zinc/50/42/42/1342504242.db2.gz FOFBPQHCANKLRG-PXNSSMCTSA-N 2 1 345.531 3.379 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](CCC2CCCCC2)C1 ZINC001034529912 1342585475 /nfs/dbraw/zinc/58/54/75/1342585475.db2.gz QRFJIZGUTPBNIK-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001034529912 1342585476 /nfs/dbraw/zinc/58/54/76/1342585476.db2.gz QRFJIZGUTPBNIK-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP CCCC[N@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034543953 1342605022 /nfs/dbraw/zinc/60/50/22/1342605022.db2.gz NNMCCPNYPLHROP-SFHVURJKSA-N 2 1 331.504 3.133 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(C)C3)CC2)C1 ZINC001034663077 1342677150 /nfs/dbraw/zinc/67/71/50/1342677150.db2.gz SJVXOQZJTPECLU-PWKSQPCKSA-N 2 1 349.563 3.027 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCCC3)CC2)C1 ZINC001034775846 1342753027 /nfs/dbraw/zinc/75/30/27/1342753027.db2.gz KQEUMQUMCAWHNC-VAMGGRTRSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCCCC3)CC2)C1 ZINC001034792108 1342761226 /nfs/dbraw/zinc/76/12/26/1342761226.db2.gz FFCIUMNNOBEQSO-VAMGGRTRSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001034796591 1342763666 /nfs/dbraw/zinc/76/36/66/1342763666.db2.gz KAPDWMMXDBZBNL-BMOGMMAESA-N 2 1 347.547 3.377 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1csc(C)c1 ZINC001035133686 1342949638 /nfs/dbraw/zinc/94/96/38/1342949638.db2.gz PHWLAXFVHKHMCY-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[NH+]1C)CC2 ZINC001035195961 1343010072 /nfs/dbraw/zinc/01/00/72/1343010072.db2.gz MADFVANASXOIBL-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001035195961 1343010077 /nfs/dbraw/zinc/01/00/77/1343010077.db2.gz MADFVANASXOIBL-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)CC2 ZINC001035195961 1343010081 /nfs/dbraw/zinc/01/00/81/1343010081.db2.gz MADFVANASXOIBL-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC2(CC[N@@H+](CC3CCCC3)C2)CC1)[NH+](C)C ZINC001035224777 1343045291 /nfs/dbraw/zinc/04/52/91/1343045291.db2.gz PVTUDAQRCTZEIL-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)CC2 ZINC001035721209 1343151833 /nfs/dbraw/zinc/15/18/33/1343151833.db2.gz SDIAWJFFYBCUGN-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CC2 ZINC001035721207 1343151997 /nfs/dbraw/zinc/15/19/97/1343151997.db2.gz SDIAWJFFYBCUGN-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001036098977 1343312248 /nfs/dbraw/zinc/31/22/48/1343312248.db2.gz XCAZGPNIPKIGSE-VQIMIIECSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001036183870 1343351179 /nfs/dbraw/zinc/35/11/79/1343351179.db2.gz VEPSIEDJPLLOQI-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC2CCC2)C1 ZINC001036451278 1343494921 /nfs/dbraw/zinc/49/49/21/1343494921.db2.gz SFGVWEBVTUTCQE-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820385 1343758786 /nfs/dbraw/zinc/75/87/86/1343758786.db2.gz IBWCGKWIZDSGNC-ROUUACIJSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820385 1343758789 /nfs/dbraw/zinc/75/87/89/1343758789.db2.gz IBWCGKWIZDSGNC-ROUUACIJSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820385 1343758793 /nfs/dbraw/zinc/75/87/93/1343758793.db2.gz IBWCGKWIZDSGNC-ROUUACIJSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001037087082 1343972104 /nfs/dbraw/zinc/97/21/04/1343972104.db2.gz POVXGGHSPSHYAP-ZWKOTPCHSA-N 2 1 346.519 3.071 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@@H+]1CCC(C)(C)C ZINC001038316268 1344377486 /nfs/dbraw/zinc/37/74/86/1344377486.db2.gz XUZUTCYOTRTWKM-OAHLLOKOSA-N 2 1 337.533 3.050 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001038316268 1344377490 /nfs/dbraw/zinc/37/74/90/1344377490.db2.gz XUZUTCYOTRTWKM-OAHLLOKOSA-N 2 1 337.533 3.050 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CCC1CCCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038352499 1344392656 /nfs/dbraw/zinc/39/26/56/1344392656.db2.gz ICXTXOCCMFRREG-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CCC1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038352499 1344392661 /nfs/dbraw/zinc/39/26/61/1344392661.db2.gz ICXTXOCCMFRREG-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CCC1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038352499 1344392663 /nfs/dbraw/zinc/39/26/63/1344392663.db2.gz ICXTXOCCMFRREG-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CC1CCCCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038352443 1344392727 /nfs/dbraw/zinc/39/27/27/1344392727.db2.gz HKKVPUWSAORVDO-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CC1CCCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038352443 1344392733 /nfs/dbraw/zinc/39/27/33/1344392733.db2.gz HKKVPUWSAORVDO-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CC1CCCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038352443 1344392737 /nfs/dbraw/zinc/39/27/37/1344392737.db2.gz HKKVPUWSAORVDO-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCC1 ZINC001038777800 1344581610 /nfs/dbraw/zinc/58/16/10/1344581610.db2.gz CFMGRYQZJBATGM-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001038777800 1344581612 /nfs/dbraw/zinc/58/16/12/1344581612.db2.gz CFMGRYQZJBATGM-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001038777800 1344581613 /nfs/dbraw/zinc/58/16/13/1344581613.db2.gz CFMGRYQZJBATGM-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001039047260 1344733154 /nfs/dbraw/zinc/73/31/54/1344733154.db2.gz CMESKBRBMWUFGE-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001039047260 1344733157 /nfs/dbraw/zinc/73/31/57/1344733157.db2.gz CMESKBRBMWUFGE-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCC1 ZINC001039047260 1344733160 /nfs/dbraw/zinc/73/31/60/1344733160.db2.gz CMESKBRBMWUFGE-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC001039167961 1344856147 /nfs/dbraw/zinc/85/61/47/1344856147.db2.gz IAQMUFWWMLHQAZ-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039226310 1344944288 /nfs/dbraw/zinc/94/42/88/1344944288.db2.gz WEDBGZFEMFPTPO-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001039313602 1345009235 /nfs/dbraw/zinc/00/92/35/1345009235.db2.gz DSNSYSNLPUTFST-NXEWRWPSSA-N 2 1 343.515 3.201 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001039399601 1345046719 /nfs/dbraw/zinc/04/67/19/1345046719.db2.gz JOKASRLNAZGVFL-MSOLQXFVSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001039406485 1345051565 /nfs/dbraw/zinc/05/15/65/1345051565.db2.gz WCIYOWDPGLSQBD-WDYCEAGBSA-N 2 1 340.471 3.059 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001039473275 1345088706 /nfs/dbraw/zinc/08/87/06/1345088706.db2.gz DYTAJWWTHRIRNZ-UXHICEINSA-N 2 1 343.515 3.227 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001039474329 1345089081 /nfs/dbraw/zinc/08/90/81/1345089081.db2.gz BTQVKDKQWGLUNK-AABGKKOBSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001039474973 1345089767 /nfs/dbraw/zinc/08/97/67/1345089767.db2.gz UVXCQJPTCZNGNW-HSALFYBXSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001039474973 1345089769 /nfs/dbraw/zinc/08/97/69/1345089769.db2.gz UVXCQJPTCZNGNW-HSALFYBXSA-N 2 1 343.515 3.011 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001039528490 1345131205 /nfs/dbraw/zinc/13/12/05/1345131205.db2.gz NXGFKDBYCDHAQB-ZCNNSNEGSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1=CCCCC1 ZINC001039528490 1345131209 /nfs/dbraw/zinc/13/12/09/1345131209.db2.gz NXGFKDBYCDHAQB-ZCNNSNEGSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1=CCCCC1 ZINC001039528490 1345131210 /nfs/dbraw/zinc/13/12/10/1345131210.db2.gz NXGFKDBYCDHAQB-ZCNNSNEGSA-N 2 1 345.531 3.036 20 0 EGADMP CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CC1)[NH+]1CCCCC1 ZINC001039587031 1345146482 /nfs/dbraw/zinc/14/64/82/1345146482.db2.gz DDWPJOOBMINABX-KDURUIRLSA-N 2 1 347.547 3.116 20 0 EGADMP O=C(C[NH+]1CCCC1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1=CCCCC1 ZINC001040006256 1345284935 /nfs/dbraw/zinc/28/49/35/1345284935.db2.gz WRUYEFCQFKBAHB-BGYRXZFFSA-N 2 1 345.531 3.038 20 0 EGADMP CCCC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040211258 1345377277 /nfs/dbraw/zinc/37/72/77/1345377277.db2.gz ZCCBZOMQBUXLBP-NRFANRHFSA-N 2 1 349.563 3.366 20 0 EGADMP C[C@H]1C[NH2+]CCC[C@H]1Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001217990420 1373527938 /nfs/dbraw/zinc/52/79/38/1373527938.db2.gz TZSATDXGMDTDFB-BLLLJJGKSA-N 2 1 341.293 3.278 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040543940 1345539553 /nfs/dbraw/zinc/53/95/53/1345539553.db2.gz RUBCSADKYLXMPP-TZIWHRDSSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040546872 1345541526 /nfs/dbraw/zinc/54/15/26/1345541526.db2.gz IGRKWZBTNZQISW-PZJWPPBQSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040546872 1345541527 /nfs/dbraw/zinc/54/15/27/1345541527.db2.gz IGRKWZBTNZQISW-PZJWPPBQSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040547994 1345542039 /nfs/dbraw/zinc/54/20/39/1345542039.db2.gz ODTYIRROGQBYBV-TZIWHRDSSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040547994 1345542041 /nfs/dbraw/zinc/54/20/41/1345542041.db2.gz ODTYIRROGQBYBV-TZIWHRDSSA-N 2 1 343.515 3.014 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC)C3)o1 ZINC001040548713 1345542744 /nfs/dbraw/zinc/54/27/44/1345542744.db2.gz UQNAQONTJAJGQI-HXUWFJFHSA-N 2 1 347.503 3.069 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433177 1345726084 /nfs/dbraw/zinc/72/60/84/1345726084.db2.gz WBMIXQPZOQAWRC-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041433177 1345726087 /nfs/dbraw/zinc/72/60/87/1345726087.db2.gz WBMIXQPZOQAWRC-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041433177 1345726091 /nfs/dbraw/zinc/72/60/91/1345726091.db2.gz WBMIXQPZOQAWRC-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041726512 1345833622 /nfs/dbraw/zinc/83/36/22/1345833622.db2.gz ZNWXXCTVWLXZJQ-FPOVZHCZSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042297102 1346021433 /nfs/dbraw/zinc/02/14/33/1346021433.db2.gz LYRVNTCLJMIEMH-ICSRJNTNSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001042714944 1346109458 /nfs/dbraw/zinc/10/94/58/1346109458.db2.gz HSXVFBIXBMDMSS-IBGZPJMESA-N 2 1 349.563 3.218 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+]([C@H](CC)c2ccccc2)C1 ZINC001042849833 1346120912 /nfs/dbraw/zinc/12/09/12/1346120912.db2.gz XWXJHWAEGKLLGF-WOJBJXKFSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+]([C@H](CC)c2ccccc2)C1 ZINC001042849833 1346120914 /nfs/dbraw/zinc/12/09/14/1346120914.db2.gz XWXJHWAEGKLLGF-WOJBJXKFSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001044337269 1346301820 /nfs/dbraw/zinc/30/18/20/1346301820.db2.gz OFEYXUCYJUXONE-UXHICEINSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001044337269 1346301823 /nfs/dbraw/zinc/30/18/23/1346301823.db2.gz OFEYXUCYJUXONE-UXHICEINSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001044745779 1346418949 /nfs/dbraw/zinc/41/89/49/1346418949.db2.gz ZQZVRRPHELHEII-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC2CCCC2)C[C@H]1C ZINC001044759925 1346422472 /nfs/dbraw/zinc/42/24/72/1346422472.db2.gz MWXJXUXCKMHCAM-SJLPKXTDSA-N 2 1 346.519 3.166 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1(C)CC[NH+](CC2CCCCC2)CC1 ZINC001045528937 1346618062 /nfs/dbraw/zinc/61/80/62/1346618062.db2.gz IXCLDIQRQSNXDO-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC2(C)CC[NH+](CC3CCC(C)(C)CC3)CC2)C1 ZINC001045639570 1346655878 /nfs/dbraw/zinc/65/58/78/1346655878.db2.gz MJGDYOWDNRDLEG-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC ZINC001045876647 1346728911 /nfs/dbraw/zinc/72/89/11/1346728911.db2.gz UUZZPJZHHAIHQY-CEXWTWQISA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC ZINC001045876647 1346728912 /nfs/dbraw/zinc/72/89/12/1346728912.db2.gz UUZZPJZHHAIHQY-CEXWTWQISA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC ZINC001045876647 1346728915 /nfs/dbraw/zinc/72/89/15/1346728915.db2.gz UUZZPJZHHAIHQY-CEXWTWQISA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045938279 1346774295 /nfs/dbraw/zinc/77/42/95/1346774295.db2.gz WKFRVVOFYOOJPR-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045938279 1346774296 /nfs/dbraw/zinc/77/42/96/1346774296.db2.gz WKFRVVOFYOOJPR-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001045938279 1346774300 /nfs/dbraw/zinc/77/43/00/1346774300.db2.gz WKFRVVOFYOOJPR-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@@]2(CC[N@@H+](CC)C2)C1 ZINC001045938971 1346775038 /nfs/dbraw/zinc/77/50/38/1346775038.db2.gz QPCGRVZIPXXTDA-PXNSSMCTSA-N 2 1 346.519 3.121 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@@]2(CC[N@H+](CC)C2)C1 ZINC001045938971 1346775039 /nfs/dbraw/zinc/77/50/39/1346775039.db2.gz QPCGRVZIPXXTDA-PXNSSMCTSA-N 2 1 346.519 3.121 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943469 1346779037 /nfs/dbraw/zinc/77/90/37/1346779037.db2.gz IWOSMCTXPSFHGX-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001045943469 1346779038 /nfs/dbraw/zinc/77/90/38/1346779038.db2.gz IWOSMCTXPSFHGX-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001045943469 1346779039 /nfs/dbraw/zinc/77/90/39/1346779039.db2.gz IWOSMCTXPSFHGX-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960450 1346795228 /nfs/dbraw/zinc/79/52/28/1346795228.db2.gz KBQAWJDDJQTHFY-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045983829 1346824198 /nfs/dbraw/zinc/82/41/98/1346824198.db2.gz RMEKXDLPVNMYJZ-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046449878 1346977970 /nfs/dbraw/zinc/97/79/70/1346977970.db2.gz MYCVFPKBPWXVDF-IIBYNOLFSA-N 2 1 348.450 3.290 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046483425 1346990650 /nfs/dbraw/zinc/99/06/50/1346990650.db2.gz AANGHQYNHYOKLW-KKSFZXQISA-N 2 1 348.450 3.290 20 0 EGADMP CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001047247316 1347272236 /nfs/dbraw/zinc/27/22/36/1347272236.db2.gz FLAHSEYMSYJVDJ-IHPCNDPISA-N 2 1 349.563 3.076 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1CCCCC1 ZINC001049369409 1347807325 /nfs/dbraw/zinc/80/73/25/1347807325.db2.gz OCYSXRCKQLUDTQ-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CCCCC1 ZINC001049369409 1347807330 /nfs/dbraw/zinc/80/73/30/1347807330.db2.gz OCYSXRCKQLUDTQ-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CCCCC1 ZINC001049369409 1347807332 /nfs/dbraw/zinc/80/73/32/1347807332.db2.gz OCYSXRCKQLUDTQ-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001049473293 1347866064 /nfs/dbraw/zinc/86/60/64/1347866064.db2.gz JUAODBSVDSRTMZ-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001049473293 1347866067 /nfs/dbraw/zinc/86/60/67/1347866067.db2.gz JUAODBSVDSRTMZ-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001049473293 1347866070 /nfs/dbraw/zinc/86/60/70/1347866070.db2.gz JUAODBSVDSRTMZ-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC2=CCCCC2)CCC1 ZINC001049518789 1347888770 /nfs/dbraw/zinc/88/87/70/1347888770.db2.gz VTZFSHYLIQIHRF-MOPGFXCFSA-N 2 1 345.531 3.036 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C)[NH+](C)C ZINC001049533043 1347894844 /nfs/dbraw/zinc/89/48/44/1347894844.db2.gz LXKGBBOBAYZDQJ-SQNIBIBYSA-N 2 1 337.552 3.074 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CCCCC1)[NH+](C)C ZINC001049548874 1347902606 /nfs/dbraw/zinc/90/26/06/1347902606.db2.gz GGXPOPZCZZXZJC-AQNXPRMDSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCCCC1)[NH+](C)C ZINC001049550115 1347903453 /nfs/dbraw/zinc/90/34/53/1347903453.db2.gz KEUHZGLOSNRYPS-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC1CCCC1)[NH+](C)C ZINC001049550476 1347903469 /nfs/dbraw/zinc/90/34/69/1347903469.db2.gz MGZCHXLQQPOFGR-AABGKKOBSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCCCC1)[NH+](C)C ZINC001049550113 1347903790 /nfs/dbraw/zinc/90/37/90/1347903790.db2.gz KEUHZGLOSNRYPS-AABGKKOBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568436 1347914588 /nfs/dbraw/zinc/91/45/88/1347914588.db2.gz UETPNMPZMWHQGV-ZWKOTPCHSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC1CCC1 ZINC001049725179 1347991681 /nfs/dbraw/zinc/99/16/81/1347991681.db2.gz VSJKHPNRIXJUSD-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC1CCC1 ZINC001049725179 1347991683 /nfs/dbraw/zinc/99/16/83/1347991683.db2.gz VSJKHPNRIXJUSD-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC1CCC1 ZINC001049725179 1347991685 /nfs/dbraw/zinc/99/16/85/1347991685.db2.gz VSJKHPNRIXJUSD-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)C1 ZINC001050357065 1348236635 /nfs/dbraw/zinc/23/66/35/1348236635.db2.gz JDAGSQVULJWUFW-UFYCRDLUSA-N 2 1 349.563 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001050537860 1348286227 /nfs/dbraw/zinc/28/62/27/1348286227.db2.gz ZYOPCWSXPCIFHP-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)CC1 ZINC001050632637 1348309442 /nfs/dbraw/zinc/30/94/42/1348309442.db2.gz LFFRVKPNPRFHIG-IBGZPJMESA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCC2(CN(C(=O)CCn3cc[nH+]c3C(C)C)C2)CC1 ZINC001050690513 1348328586 /nfs/dbraw/zinc/32/85/86/1348328586.db2.gz QSEWAXPULICHEI-UHFFFAOYSA-N 2 1 346.519 3.121 20 0 EGADMP CCCC[NH+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC001050765985 1348352320 /nfs/dbraw/zinc/35/23/20/1348352320.db2.gz BEZKKLQMYFEMBU-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001051348741 1348439482 /nfs/dbraw/zinc/43/94/82/1348439482.db2.gz TXADNSVWOWZGPY-NLWGTHIKSA-N 2 1 343.515 3.121 20 0 EGADMP CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381480 1348537112 /nfs/dbraw/zinc/53/71/12/1348537112.db2.gz RTMBSMNCVAPVJS-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052381480 1348537113 /nfs/dbraw/zinc/53/71/13/1348537113.db2.gz RTMBSMNCVAPVJS-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052381480 1348537114 /nfs/dbraw/zinc/53/71/14/1348537114.db2.gz RTMBSMNCVAPVJS-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446998 1348543804 /nfs/dbraw/zinc/54/38/04/1348543804.db2.gz VHDPRXXWPDNZJO-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052446998 1348543806 /nfs/dbraw/zinc/54/38/06/1348543806.db2.gz VHDPRXXWPDNZJO-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052446998 1348543808 /nfs/dbraw/zinc/54/38/08/1348543808.db2.gz VHDPRXXWPDNZJO-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052516669 1348564223 /nfs/dbraw/zinc/56/42/23/1348564223.db2.gz QHNQRWLVGMKRHK-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052516669 1348564225 /nfs/dbraw/zinc/56/42/25/1348564225.db2.gz QHNQRWLVGMKRHK-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052516669 1348564226 /nfs/dbraw/zinc/56/42/26/1348564226.db2.gz QHNQRWLVGMKRHK-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1)[NH+]1CCCC1 ZINC001052620185 1348597849 /nfs/dbraw/zinc/59/78/49/1348597849.db2.gz NNCFENSWXWLAQP-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCC(C)C)CC2)C1 ZINC001052651925 1348614463 /nfs/dbraw/zinc/61/44/63/1348614463.db2.gz PBRMXIUECAYEGX-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCC(C)C)CC2)C1 ZINC001052651925 1348614468 /nfs/dbraw/zinc/61/44/68/1348614468.db2.gz PBRMXIUECAYEGX-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCC(C)C)CC2)C1 ZINC001052651925 1348614471 /nfs/dbraw/zinc/61/44/71/1348614471.db2.gz PBRMXIUECAYEGX-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052663779 1348618835 /nfs/dbraw/zinc/61/88/35/1348618835.db2.gz ZBHLBFLQUTWZKW-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052716303 1348646390 /nfs/dbraw/zinc/64/63/90/1348646390.db2.gz LHAHWFJBCQVDAU-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001052716303 1348646392 /nfs/dbraw/zinc/64/63/92/1348646392.db2.gz LHAHWFJBCQVDAU-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001052716303 1348646393 /nfs/dbraw/zinc/64/63/93/1348646393.db2.gz LHAHWFJBCQVDAU-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CCC3CCCC3)CC2)C1 ZINC001052717804 1348646715 /nfs/dbraw/zinc/64/67/15/1348646715.db2.gz ZZDARMQTDDUUCN-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCC3CCCC3)CC2)C1 ZINC001052717804 1348646718 /nfs/dbraw/zinc/64/67/18/1348646718.db2.gz ZZDARMQTDDUUCN-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCC3CCCC3)CC2)C1 ZINC001052717804 1348646721 /nfs/dbraw/zinc/64/67/21/1348646721.db2.gz ZZDARMQTDDUUCN-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052765051 1348670347 /nfs/dbraw/zinc/67/03/47/1348670347.db2.gz VLOQZYLUZJURRM-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052765051 1348670348 /nfs/dbraw/zinc/67/03/48/1348670348.db2.gz VLOQZYLUZJURRM-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052765051 1348670349 /nfs/dbraw/zinc/67/03/49/1348670349.db2.gz VLOQZYLUZJURRM-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052819403 1348688802 /nfs/dbraw/zinc/68/88/02/1348688802.db2.gz FMBLTUJYBSNFNF-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CC(C)C3)CC2)CC1 ZINC001052836629 1348695310 /nfs/dbraw/zinc/69/53/10/1348695310.db2.gz KOTYFFVYKACEPO-QLOJAFMTSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857527 1348704309 /nfs/dbraw/zinc/70/43/09/1348704309.db2.gz OHSJBEOKLHDXEU-FQEVSTJZSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H](F)CC[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052953657 1348768378 /nfs/dbraw/zinc/76/83/78/1348768378.db2.gz FDHQZNQKYCLBBY-LPHOPBHVSA-N 2 1 349.494 3.081 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC001052955182 1348770001 /nfs/dbraw/zinc/77/00/01/1348770001.db2.gz AIDOQFFMHDNNCS-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC001052955182 1348770005 /nfs/dbraw/zinc/77/00/05/1348770005.db2.gz AIDOQFFMHDNNCS-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccsc2)CC1 ZINC001052955182 1348770009 /nfs/dbraw/zinc/77/00/09/1348770009.db2.gz AIDOQFFMHDNNCS-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052956655 1348770312 /nfs/dbraw/zinc/77/03/12/1348770312.db2.gz WIOXDBUYHHAYCR-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001052956655 1348770316 /nfs/dbraw/zinc/77/03/16/1348770316.db2.gz WIOXDBUYHHAYCR-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001052956655 1348770317 /nfs/dbraw/zinc/77/03/17/1348770317.db2.gz WIOXDBUYHHAYCR-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC2=CCCCC2)CC1 ZINC001052984264 1348788677 /nfs/dbraw/zinc/78/86/77/1348788677.db2.gz ISWFZBFYQUYAAM-BGYRXZFFSA-N 2 1 345.531 3.036 20 0 EGADMP CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC2=CCCCC2)CC1 ZINC001052984264 1348788683 /nfs/dbraw/zinc/78/86/83/1348788683.db2.gz ISWFZBFYQUYAAM-BGYRXZFFSA-N 2 1 345.531 3.036 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096764 1348926873 /nfs/dbraw/zinc/92/68/73/1348926873.db2.gz ZIOSRBXUDIDRDG-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108533 1348947708 /nfs/dbraw/zinc/94/77/08/1348947708.db2.gz VVWGVSFVBCLVLZ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054159943 1349162143 /nfs/dbraw/zinc/16/21/43/1349162143.db2.gz QNEFQDGOGBHPJO-FQEVSTJZSA-N 2 1 340.471 3.063 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174426 1349174994 /nfs/dbraw/zinc/17/49/94/1349174994.db2.gz OZHGRJCAECQDST-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054227116 1349221657 /nfs/dbraw/zinc/22/16/57/1349221657.db2.gz DEMZBBSZAULADY-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001054227116 1349221659 /nfs/dbraw/zinc/22/16/59/1349221659.db2.gz DEMZBBSZAULADY-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001054227116 1349221660 /nfs/dbraw/zinc/22/16/60/1349221660.db2.gz DEMZBBSZAULADY-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001054243785 1349237863 /nfs/dbraw/zinc/23/78/63/1349237863.db2.gz OBYLUMMBMOKLBG-NRFANRHFSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@]2(CC[N@H+](C(C)C)C2)C1)[NH+]1CCCCC1 ZINC001054244822 1349238561 /nfs/dbraw/zinc/23/85/61/1349238561.db2.gz IWVSEWCQRIKGHI-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1Cc2ccc(CNC(=O)c3cccc(C[NH+](C)C)c3)cc2C1 ZINC001054292802 1349297850 /nfs/dbraw/zinc/29/78/50/1349297850.db2.gz URNMXDGFBUIKRP-UHFFFAOYSA-N 2 1 337.467 3.014 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc(C)c1Br ZINC001232520468 1376474962 /nfs/dbraw/zinc/47/49/62/1376474962.db2.gz KAUJRXIWHXXQGW-CVEARBPZSA-N 2 1 337.305 3.449 20 0 EGADMP CCC[N@H+](Cc1cc(Br)cc(OC)c1)C[C@H]1CC[NH2+]C1 ZINC001236844657 1376967016 /nfs/dbraw/zinc/96/70/16/1376967016.db2.gz XGPWARAXBXWKLN-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071507990 1354732213 /nfs/dbraw/zinc/73/22/13/1354732213.db2.gz FXGOAIKBQKIUHB-ZWKOTPCHSA-N 2 1 335.536 3.186 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@H+]1Cc1ccccc1 ZINC001071653045 1354828771 /nfs/dbraw/zinc/82/87/71/1354828771.db2.gz RLCHQYQRGKTODJ-QFBILLFUSA-N 2 1 348.450 3.117 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001071919679 1355024735 /nfs/dbraw/zinc/02/47/35/1355024735.db2.gz GFYKKYFYELVKPK-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCCC3CCC3)C2)CC1 ZINC001071920877 1355025435 /nfs/dbraw/zinc/02/54/35/1355025435.db2.gz YRFHVYOXNBJKGY-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071953777 1355038901 /nfs/dbraw/zinc/03/89/01/1355038901.db2.gz FMQOINZQACMDJP-MJGOQNOKSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@H+]1CC1CCC1 ZINC001072095408 1355126856 /nfs/dbraw/zinc/12/68/56/1355126856.db2.gz HUUGXXQMUNJZFD-OXJNMPFZSA-N 2 1 343.515 3.131 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@H+]1CC1CCC1 ZINC001072099512 1355130209 /nfs/dbraw/zinc/13/02/09/1355130209.db2.gz SBQOYZRMFCTRFS-LPHOPBHVSA-N 2 1 343.515 3.131 20 0 EGADMP C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001072301108 1355228466 /nfs/dbraw/zinc/22/84/66/1355228466.db2.gz NMTCRUMCPUZMCF-HKUYNNGSSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)Cc1ccsc1 ZINC001074062993 1356061441 /nfs/dbraw/zinc/06/14/41/1356061441.db2.gz CXRVXJCUARBYLW-SJLPKXTDSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccsc1 ZINC001074062993 1356061443 /nfs/dbraw/zinc/06/14/43/1356061443.db2.gz CXRVXJCUARBYLW-SJLPKXTDSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccsc1 ZINC001074062993 1356061445 /nfs/dbraw/zinc/06/14/45/1356061445.db2.gz CXRVXJCUARBYLW-SJLPKXTDSA-N 2 1 349.544 3.045 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC001074073484 1356068861 /nfs/dbraw/zinc/06/88/61/1356068861.db2.gz ZULIRYSAKFOPHZ-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC001074073484 1356068865 /nfs/dbraw/zinc/06/88/65/1356068865.db2.gz ZULIRYSAKFOPHZ-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C)c1ccccc1Cl ZINC001074803660 1356248005 /nfs/dbraw/zinc/24/80/05/1356248005.db2.gz JJKWNZGJPCUOFE-IDCJVQTKSA-N 2 1 349.906 3.074 20 0 EGADMP CC(C)(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001183256159 1387286251 /nfs/dbraw/zinc/28/62/51/1387286251.db2.gz UAPCUAIRQYOVHX-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001080992707 1357776595 /nfs/dbraw/zinc/77/65/95/1357776595.db2.gz VYHGXTOYZPYMRR-OXQOHEQNSA-N 2 1 345.531 3.235 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1C ZINC001080998811 1357777374 /nfs/dbraw/zinc/77/73/74/1357777374.db2.gz OJQWTLKTVSXSRF-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1C ZINC001080998811 1357777376 /nfs/dbraw/zinc/77/73/76/1357777376.db2.gz OJQWTLKTVSXSRF-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1C ZINC001080998811 1357777379 /nfs/dbraw/zinc/77/73/79/1357777379.db2.gz OJQWTLKTVSXSRF-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001082544841 1358057102 /nfs/dbraw/zinc/05/71/02/1358057102.db2.gz UXMKMRXWQCBERV-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001082544840 1358057325 /nfs/dbraw/zinc/05/73/25/1358057325.db2.gz UXMKMRXWQCBERV-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001183516834 1387315922 /nfs/dbraw/zinc/31/59/22/1387315922.db2.gz AUYALXBJJMWUQJ-YFVAEKQCSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853315 1358328323 /nfs/dbraw/zinc/32/83/23/1358328323.db2.gz HJTDKZVADUUZHG-AQNXPRMDSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001085331810 1358469872 /nfs/dbraw/zinc/46/98/72/1358469872.db2.gz APKOQRVGFKRJRK-QXAKKESOSA-N 2 1 335.536 3.068 20 0 EGADMP CC1(C)CC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001085333177 1358470472 /nfs/dbraw/zinc/47/04/72/1358470472.db2.gz DCIGHHVEWPSJLB-QZTJIDSGSA-N 2 1 349.563 3.172 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2=CCCCC2)C1 ZINC001085393966 1358487346 /nfs/dbraw/zinc/48/73/46/1358487346.db2.gz PUYIROUVQSNDBK-XUVXKRRUSA-N 2 1 347.547 3.236 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCCCC2)C1 ZINC001085393856 1358487555 /nfs/dbraw/zinc/48/75/55/1358487555.db2.gz MYPSQAIACUHNHS-VAMGGRTRSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCCCC2)C1 ZINC001085422423 1358495794 /nfs/dbraw/zinc/49/57/94/1358495794.db2.gz SKJYYRLWCVMZJJ-XUVXKRRUSA-N 2 1 349.563 3.316 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001085424628 1358495821 /nfs/dbraw/zinc/49/58/21/1358495821.db2.gz ZBLPKFCMGWZBAJ-RTBURBONSA-N 2 1 346.519 3.179 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC001085432522 1358498409 /nfs/dbraw/zinc/49/84/09/1358498409.db2.gz CBMMZENNKKKMHV-AQNXPRMDSA-N 2 1 343.515 3.078 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001085687318 1358688642 /nfs/dbraw/zinc/68/86/42/1358688642.db2.gz MSGFTVOYFMIUOP-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001085687318 1358688645 /nfs/dbraw/zinc/68/86/45/1358688645.db2.gz MSGFTVOYFMIUOP-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085687318 1358688647 /nfs/dbraw/zinc/68/86/47/1358688647.db2.gz MSGFTVOYFMIUOP-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2CCCCC2)C1 ZINC001085779340 1358753519 /nfs/dbraw/zinc/75/35/19/1358753519.db2.gz SQEDWWADHCPVBI-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC2CCCCC2)C1 ZINC001085779340 1358753523 /nfs/dbraw/zinc/75/35/23/1358753523.db2.gz SQEDWWADHCPVBI-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC2CCCCC2)C1 ZINC001085779340 1358753525 /nfs/dbraw/zinc/75/35/25/1358753525.db2.gz SQEDWWADHCPVBI-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CC(CC)CC)C1 ZINC001085779405 1358753611 /nfs/dbraw/zinc/75/36/11/1358753611.db2.gz UWCRZHQEDZTNEG-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC(CC)CC)C1 ZINC001085779405 1358753613 /nfs/dbraw/zinc/75/36/13/1358753613.db2.gz UWCRZHQEDZTNEG-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC(CC)CC)C1 ZINC001085779405 1358753616 /nfs/dbraw/zinc/75/36/16/1358753616.db2.gz UWCRZHQEDZTNEG-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC2CCCCC2)C1 ZINC001085779339 1358754140 /nfs/dbraw/zinc/75/41/40/1358754140.db2.gz SQEDWWADHCPVBI-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CCCCC2)C1 ZINC001085779339 1358754141 /nfs/dbraw/zinc/75/41/41/1358754141.db2.gz SQEDWWADHCPVBI-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CCCCC2)C1 ZINC001085779339 1358754147 /nfs/dbraw/zinc/75/41/47/1358754147.db2.gz SQEDWWADHCPVBI-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C[C@@H]1CC[N@@H+]1CC1CCCCC1)C(=O)c1occc1C[NH+](C)C ZINC001085787979 1358762361 /nfs/dbraw/zinc/76/23/61/1358762361.db2.gz BLKQKRZIMUMWJW-SFHVURJKSA-N 2 1 347.503 3.068 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CC1CCCCC1)C(=O)c1occc1C[NH+](C)C ZINC001085787979 1358762366 /nfs/dbraw/zinc/76/23/66/1358762366.db2.gz BLKQKRZIMUMWJW-SFHVURJKSA-N 2 1 347.503 3.068 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCC(C)(C)C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917170 1358877201 /nfs/dbraw/zinc/87/72/01/1358877201.db2.gz SAUHXULUFSZRQE-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086414795 1359090992 /nfs/dbraw/zinc/09/09/92/1359090992.db2.gz JPWCVZWCSMDZIG-BHIYHBOVSA-N 2 1 349.563 3.027 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC[N@H+]1CC1CCCC1 ZINC001087598806 1359549803 /nfs/dbraw/zinc/54/98/03/1359549803.db2.gz ZUNQJTPQCSSPQI-SLFFLAALSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC[NH+]1CC1CCCC1 ZINC001087598806 1359549805 /nfs/dbraw/zinc/54/98/05/1359549805.db2.gz ZUNQJTPQCSSPQI-SLFFLAALSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC[NH+]1CC1CCCC1 ZINC001087598806 1359549806 /nfs/dbraw/zinc/54/98/06/1359549806.db2.gz ZUNQJTPQCSSPQI-SLFFLAALSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC[N@H+]1CC=C(C)C ZINC001087636604 1359565889 /nfs/dbraw/zinc/56/58/89/1359565889.db2.gz ZIBOZQAZXCAPMF-IPMKNSEASA-N 2 1 335.536 3.042 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC[NH+]1CC=C(C)C ZINC001087636604 1359565894 /nfs/dbraw/zinc/56/58/94/1359565894.db2.gz ZIBOZQAZXCAPMF-IPMKNSEASA-N 2 1 335.536 3.042 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC[NH+]1CC=C(C)C ZINC001087636604 1359565896 /nfs/dbraw/zinc/56/58/96/1359565896.db2.gz ZIBOZQAZXCAPMF-IPMKNSEASA-N 2 1 335.536 3.042 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1CC ZINC001087728298 1359614345 /nfs/dbraw/zinc/61/43/45/1359614345.db2.gz PIOJZMIIZCTVKD-VQTJNVASSA-N 2 1 345.531 3.174 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1CCCC1CCC1 ZINC001087725878 1359614569 /nfs/dbraw/zinc/61/45/69/1359614569.db2.gz IPEMSYJSTCJREV-YTQUADARSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1CCCC1CCC1 ZINC001087725878 1359614571 /nfs/dbraw/zinc/61/45/71/1359614571.db2.gz IPEMSYJSTCJREV-YTQUADARSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1CCCC1CCC1 ZINC001087725878 1359614575 /nfs/dbraw/zinc/61/45/75/1359614575.db2.gz IPEMSYJSTCJREV-YTQUADARSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCC1CCCCCC1 ZINC001087829830 1359667855 /nfs/dbraw/zinc/66/78/55/1359667855.db2.gz YMVFWCDZQAWLST-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCCC1CCCC1 ZINC001087829431 1359668233 /nfs/dbraw/zinc/66/82/33/1359668233.db2.gz BOROWZSRQGSCAZ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCCC1CCCC1 ZINC001087829431 1359668238 /nfs/dbraw/zinc/66/82/38/1359668238.db2.gz BOROWZSRQGSCAZ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1 ZINC001088411746 1359882750 /nfs/dbraw/zinc/88/27/50/1359882750.db2.gz PADCZWZVPPVAJU-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001088424807 1359893804 /nfs/dbraw/zinc/89/38/04/1359893804.db2.gz GKQWQDWIRUNCIO-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001088563450 1359974826 /nfs/dbraw/zinc/97/48/26/1359974826.db2.gz QQVOPGYEJWUJFX-NZSAHSFTSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H]1C ZINC001088563450 1359974828 /nfs/dbraw/zinc/97/48/28/1359974828.db2.gz QQVOPGYEJWUJFX-NZSAHSFTSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)[C@@H]1C ZINC001088563450 1359974833 /nfs/dbraw/zinc/97/48/33/1359974833.db2.gz QQVOPGYEJWUJFX-NZSAHSFTSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001088605271 1359988568 /nfs/dbraw/zinc/98/85/68/1359988568.db2.gz NFGHZHYYFKEQSN-NEWSRXKRSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001088605271 1359988570 /nfs/dbraw/zinc/98/85/70/1359988570.db2.gz NFGHZHYYFKEQSN-NEWSRXKRSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001088605271 1359988577 /nfs/dbraw/zinc/98/85/77/1359988577.db2.gz NFGHZHYYFKEQSN-NEWSRXKRSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001088605213 1359988632 /nfs/dbraw/zinc/98/86/32/1359988632.db2.gz LGNJFSZPWSKOIU-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H]1C ZINC001088605213 1359988635 /nfs/dbraw/zinc/98/86/35/1359988635.db2.gz LGNJFSZPWSKOIU-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)[C@@H]1C ZINC001088605213 1359988639 /nfs/dbraw/zinc/98/86/39/1359988639.db2.gz LGNJFSZPWSKOIU-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC3=CCCCC3)[C@@H]2C)C1 ZINC001088811086 1360060963 /nfs/dbraw/zinc/06/09/63/1360060963.db2.gz KIECPCYUPYUGKX-RLLQIKCJSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CC3=CCCCC3)[C@@H]2C)C1 ZINC001088811086 1360060966 /nfs/dbraw/zinc/06/09/66/1360060966.db2.gz KIECPCYUPYUGKX-RLLQIKCJSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3=CCCCC3)[C@@H]2C)C1 ZINC001088811086 1360060971 /nfs/dbraw/zinc/06/09/71/1360060971.db2.gz KIECPCYUPYUGKX-RLLQIKCJSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CCC1CCCCC1 ZINC001088816599 1360061155 /nfs/dbraw/zinc/06/11/55/1360061155.db2.gz JAUVLOPZQPNQII-HNJRGHQBSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CCC1CCCCC1 ZINC001088816599 1360061159 /nfs/dbraw/zinc/06/11/59/1360061159.db2.gz JAUVLOPZQPNQII-HNJRGHQBSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CCC1CCCCC1 ZINC001088816599 1360061162 /nfs/dbraw/zinc/06/11/62/1360061162.db2.gz JAUVLOPZQPNQII-HNJRGHQBSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC1CCC(C)CC1 ZINC001088899226 1360099031 /nfs/dbraw/zinc/09/90/31/1360099031.db2.gz SNNIVAKKBIUPBJ-YTQPIUFNSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3=CCCCC3)[C@@H]2C)CC1 ZINC001088953047 1360112518 /nfs/dbraw/zinc/11/25/18/1360112518.db2.gz XSNAHQIWFLGKPM-XLIONFOSSA-N 2 1 347.547 3.186 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)CC(C)(C)C1 ZINC001089333637 1360347549 /nfs/dbraw/zinc/34/75/49/1360347549.db2.gz BMNJSPFOWBXHNK-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)CC(C)(C)C1 ZINC001089333637 1360347555 /nfs/dbraw/zinc/34/75/55/1360347555.db2.gz BMNJSPFOWBXHNK-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)CC(C)(C)C1 ZINC001089333637 1360347557 /nfs/dbraw/zinc/34/75/57/1360347557.db2.gz BMNJSPFOWBXHNK-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC(C)(C)C1 ZINC001089386968 1360387886 /nfs/dbraw/zinc/38/78/86/1360387886.db2.gz WAZKIHFIIGYXFO-ROUUACIJSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC(C)(C)C1 ZINC001089386968 1360387889 /nfs/dbraw/zinc/38/78/89/1360387889.db2.gz WAZKIHFIIGYXFO-ROUUACIJSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC(C)(C)C1 ZINC001089386968 1360387890 /nfs/dbraw/zinc/38/78/90/1360387890.db2.gz WAZKIHFIIGYXFO-ROUUACIJSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089428243 1360420325 /nfs/dbraw/zinc/42/03/25/1360420325.db2.gz VPSHWQAWQPTZRZ-RBUKOAKNSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089428243 1360420328 /nfs/dbraw/zinc/42/03/28/1360420328.db2.gz VPSHWQAWQPTZRZ-RBUKOAKNSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089428243 1360420331 /nfs/dbraw/zinc/42/03/31/1360420331.db2.gz VPSHWQAWQPTZRZ-RBUKOAKNSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089501995 1360475494 /nfs/dbraw/zinc/47/54/94/1360475494.db2.gz KCLCLNADHLINKA-KRWDZBQOSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089501995 1360475495 /nfs/dbraw/zinc/47/54/95/1360475495.db2.gz KCLCLNADHLINKA-KRWDZBQOSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089540911 1360498245 /nfs/dbraw/zinc/49/82/45/1360498245.db2.gz ZRAAYMBTVOVKEL-INIZCTEOSA-N 2 1 346.519 3.024 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089540911 1360498248 /nfs/dbraw/zinc/49/82/48/1360498248.db2.gz ZRAAYMBTVOVKEL-INIZCTEOSA-N 2 1 346.519 3.024 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC3=CCCCC3)CC(C)(C)C2)C1 ZINC001089558238 1360507605 /nfs/dbraw/zinc/50/76/05/1360507605.db2.gz GBPJNCVUDJYRPP-RTBURBONSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC3=CCCCC3)CC(C)(C)C2)C1 ZINC001089558238 1360507608 /nfs/dbraw/zinc/50/76/08/1360507608.db2.gz GBPJNCVUDJYRPP-RTBURBONSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC3=CCCCC3)CC(C)(C)C2)C1 ZINC001089558238 1360507611 /nfs/dbraw/zinc/50/76/11/1360507611.db2.gz GBPJNCVUDJYRPP-RTBURBONSA-N 2 1 347.547 3.045 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089564864 1360511221 /nfs/dbraw/zinc/51/12/21/1360511221.db2.gz KFVLLZWQRUZQRU-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089564864 1360511224 /nfs/dbraw/zinc/51/12/24/1360511224.db2.gz KFVLLZWQRUZQRU-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC(C)(C)C1 ZINC001089564864 1360511225 /nfs/dbraw/zinc/51/12/25/1360511225.db2.gz KFVLLZWQRUZQRU-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001089641882 1360554481 /nfs/dbraw/zinc/55/44/81/1360554481.db2.gz WCTQJIYNCMNCBM-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001089641882 1360554482 /nfs/dbraw/zinc/55/44/82/1360554482.db2.gz WCTQJIYNCMNCBM-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001089641882 1360554483 /nfs/dbraw/zinc/55/44/83/1360554483.db2.gz WCTQJIYNCMNCBM-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089647296 1360560320 /nfs/dbraw/zinc/56/03/20/1360560320.db2.gz UXRJWZHWYJWUPN-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001089647296 1360560322 /nfs/dbraw/zinc/56/03/22/1360560322.db2.gz UXRJWZHWYJWUPN-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001089647296 1360560324 /nfs/dbraw/zinc/56/03/24/1360560324.db2.gz UXRJWZHWYJWUPN-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091712960 1361187584 /nfs/dbraw/zinc/18/75/84/1361187584.db2.gz KEVXSCRTOXHYEV-APWZRJJASA-N 2 1 349.544 3.004 20 0 EGADMP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1C ZINC001184711895 1387517045 /nfs/dbraw/zinc/51/70/45/1387517045.db2.gz HVMWADUPVNLQGB-FUHWJXTLSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413399 1361790228 /nfs/dbraw/zinc/79/02/28/1361790228.db2.gz DNVDXAWFSTZWPC-QKNQBKEWSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094413399 1361790231 /nfs/dbraw/zinc/79/02/31/1361790231.db2.gz DNVDXAWFSTZWPC-QKNQBKEWSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094413399 1361790233 /nfs/dbraw/zinc/79/02/33/1361790233.db2.gz DNVDXAWFSTZWPC-QKNQBKEWSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094528911 1361846037 /nfs/dbraw/zinc/84/60/37/1361846037.db2.gz BKMSRZURNKMTEM-SFHLNBCPSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094528911 1361846046 /nfs/dbraw/zinc/84/60/46/1361846046.db2.gz BKMSRZURNKMTEM-SFHLNBCPSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094528911 1361846052 /nfs/dbraw/zinc/84/60/52/1361846052.db2.gz BKMSRZURNKMTEM-SFHLNBCPSA-N 2 1 349.563 3.266 20 0 EGADMP COCn1ncc(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001324269688 1387575867 /nfs/dbraw/zinc/57/58/67/1387575867.db2.gz FJRKTMGDGMXPPE-YJBOKZPZSA-N 2 1 348.516 3.030 20 0 EGADMP COCn1ncc(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001324269688 1387575872 /nfs/dbraw/zinc/57/58/72/1387575872.db2.gz FJRKTMGDGMXPPE-YJBOKZPZSA-N 2 1 348.516 3.030 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001096608705 1362595851 /nfs/dbraw/zinc/59/58/51/1362595851.db2.gz AJFLDDPABSIFKE-VSZNYVQBSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001096608705 1362595854 /nfs/dbraw/zinc/59/58/54/1362595854.db2.gz AJFLDDPABSIFKE-VSZNYVQBSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001096608705 1362595858 /nfs/dbraw/zinc/59/58/58/1362595858.db2.gz AJFLDDPABSIFKE-VSZNYVQBSA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001096611478 1362596676 /nfs/dbraw/zinc/59/66/76/1362596676.db2.gz NKTRIMBQXZIPKU-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001096611478 1362596680 /nfs/dbraw/zinc/59/66/80/1362596680.db2.gz NKTRIMBQXZIPKU-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001096611478 1362596684 /nfs/dbraw/zinc/59/66/84/1362596684.db2.gz NKTRIMBQXZIPKU-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(C)C)o1 ZINC001096642142 1362613303 /nfs/dbraw/zinc/61/33/03/1362613303.db2.gz PRNCSLIOZCUTJO-NJAFHUGGSA-N 2 1 347.503 3.113 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001097064127 1362829892 /nfs/dbraw/zinc/82/98/92/1362829892.db2.gz ZJOWZESELGWZBY-YRXWBPOGSA-N 2 1 347.547 3.017 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1 ZINC001097064127 1362829895 /nfs/dbraw/zinc/82/98/95/1362829895.db2.gz ZJOWZESELGWZBY-YRXWBPOGSA-N 2 1 347.547 3.017 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1 ZINC001097064127 1362829899 /nfs/dbraw/zinc/82/98/99/1362829899.db2.gz ZJOWZESELGWZBY-YRXWBPOGSA-N 2 1 347.547 3.017 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCCC2)C1 ZINC001098219439 1363258655 /nfs/dbraw/zinc/25/86/55/1363258655.db2.gz FDWRDGFSKBUDJQ-NMLBUPMWSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCCC2)C1 ZINC001098219439 1363258660 /nfs/dbraw/zinc/25/86/60/1363258660.db2.gz FDWRDGFSKBUDJQ-NMLBUPMWSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCCC2)C1 ZINC001098219439 1363258661 /nfs/dbraw/zinc/25/86/61/1363258661.db2.gz FDWRDGFSKBUDJQ-NMLBUPMWSA-N 2 1 347.547 3.020 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC001324458201 1387629421 /nfs/dbraw/zinc/62/94/21/1387629421.db2.gz XSWVEXUGJPATNZ-IAGOWNOFSA-N 2 1 348.560 3.358 20 0 EGADMP CCCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185169489 1387631912 /nfs/dbraw/zinc/63/19/12/1387631912.db2.gz MEOVKMDYNAQFDY-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001099153403 1363659342 /nfs/dbraw/zinc/65/93/42/1363659342.db2.gz KFYAMKXVZPDCAR-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001099153727 1363659634 /nfs/dbraw/zinc/65/96/34/1363659634.db2.gz OXPRKACEEXLDRE-RBUKOAKNSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001099154562 1363660418 /nfs/dbraw/zinc/66/04/18/1363660418.db2.gz ZQILRGRMRFEVQN-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC2CCC2)CC1 ZINC001099258506 1363719482 /nfs/dbraw/zinc/71/94/82/1363719482.db2.gz RPCVINOHXYNNIM-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](F)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310644 1363744293 /nfs/dbraw/zinc/74/42/93/1363744293.db2.gz RTYMUMFMDMFGFL-IRXDYDNUSA-N 2 1 343.531 3.073 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354205 1363767964 /nfs/dbraw/zinc/76/79/64/1363767964.db2.gz OFHPTCZPEVDQKT-CNZFZVQHSA-N 2 1 337.552 3.290 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001099354205 1363767966 /nfs/dbraw/zinc/76/79/66/1363767966.db2.gz OFHPTCZPEVDQKT-CNZFZVQHSA-N 2 1 337.552 3.290 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001099354205 1363767970 /nfs/dbraw/zinc/76/79/70/1363767970.db2.gz OFHPTCZPEVDQKT-CNZFZVQHSA-N 2 1 337.552 3.290 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC(C)(C)C ZINC001099354202 1363768326 /nfs/dbraw/zinc/76/83/26/1363768326.db2.gz OBPLOFMRVBMBQY-KRWDZBQOSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C ZINC001099354202 1363768328 /nfs/dbraw/zinc/76/83/28/1363768328.db2.gz OBPLOFMRVBMBQY-KRWDZBQOSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C ZINC001099354202 1363768332 /nfs/dbraw/zinc/76/83/32/1363768332.db2.gz OBPLOFMRVBMBQY-KRWDZBQOSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001100319182 1364079200 /nfs/dbraw/zinc/07/92/00/1364079200.db2.gz ARHYHBJPGXWBGT-DAWZGUTISA-N 2 1 337.552 3.170 20 0 EGADMP CC(C)=CC[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001100468927 1364126277 /nfs/dbraw/zinc/12/62/77/1364126277.db2.gz XSDPVZVARGRVAQ-UHFFFAOYSA-N 2 1 335.536 3.090 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCCC2CCC2)C1 ZINC001100729651 1364238435 /nfs/dbraw/zinc/23/84/35/1364238435.db2.gz HVDPJZCMEPYTRW-MHJFOBGBSA-N 2 1 349.563 3.314 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCC2CC([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001100872832 1364305137 /nfs/dbraw/zinc/30/51/37/1364305137.db2.gz LIGIIRCEEGTGJA-LMDPOFIKSA-N 2 1 349.563 3.029 20 0 EGADMP CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001101034811 1364383293 /nfs/dbraw/zinc/38/32/93/1364383293.db2.gz LDJFLMKSHOMBHU-DBDDXKESSA-N 2 1 343.515 3.130 20 0 EGADMP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001185306820 1387676932 /nfs/dbraw/zinc/67/69/32/1387676932.db2.gz NKVZAZYDEUHAEK-IEBWSBKVSA-N 2 1 346.519 3.012 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCCC)[C@H](C)C1 ZINC001185316009 1387680478 /nfs/dbraw/zinc/68/04/78/1387680478.db2.gz BEDMDYJAHMWGIA-RTBURBONSA-N 2 1 339.568 3.373 20 0 EGADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](CCC3CCCCC3)C[C@@]2(C)C1 ZINC001101400324 1364545269 /nfs/dbraw/zinc/54/52/69/1364545269.db2.gz QXXLFXHIWJULOF-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001101543418 1364608423 /nfs/dbraw/zinc/60/84/23/1364608423.db2.gz IPAIABNIXAJYGY-INIZCTEOSA-N 2 1 348.535 3.271 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C(C)(C)C[NH2+]CCC(C)C)CC1 ZINC001101591383 1364642186 /nfs/dbraw/zinc/64/21/86/1364642186.db2.gz WXLVQEKBZOTKPL-UHFFFAOYSA-N 2 1 339.568 3.229 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001102045044 1364821578 /nfs/dbraw/zinc/82/15/78/1364821578.db2.gz PPWAABZXTWARJX-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001102045044 1364821579 /nfs/dbraw/zinc/82/15/79/1364821579.db2.gz PPWAABZXTWARJX-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001102045044 1364821580 /nfs/dbraw/zinc/82/15/80/1364821580.db2.gz PPWAABZXTWARJX-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001102190055 1364923678 /nfs/dbraw/zinc/92/36/78/1364923678.db2.gz PPGYNFOXAVDBPD-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCC2)C[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001102190055 1364923682 /nfs/dbraw/zinc/92/36/82/1364923682.db2.gz PPGYNFOXAVDBPD-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCC2)C[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001102190055 1364923685 /nfs/dbraw/zinc/92/36/85/1364923685.db2.gz PPGYNFOXAVDBPD-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102430358 1365050741 /nfs/dbraw/zinc/05/07/41/1365050741.db2.gz NPYHHDPGAAECRA-WKOLEINNSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001185550184 1387746090 /nfs/dbraw/zinc/74/60/90/1387746090.db2.gz TZECZZDWUODHDN-QUCCMNQESA-N 2 1 349.563 3.293 20 0 EGADMP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001103493714 1365596022 /nfs/dbraw/zinc/59/60/22/1365596022.db2.gz CBAVTVZGRIWAQH-QZTJIDSGSA-N 2 1 348.535 3.271 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001103493714 1365596024 /nfs/dbraw/zinc/59/60/24/1365596024.db2.gz CBAVTVZGRIWAQH-QZTJIDSGSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCC2CC2)C[C@H]1C ZINC001103495782 1365597230 /nfs/dbraw/zinc/59/72/30/1365597230.db2.gz SUFPFDGYZUSPRY-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001103495782 1365597234 /nfs/dbraw/zinc/59/72/34/1365597234.db2.gz SUFPFDGYZUSPRY-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001103495782 1365597239 /nfs/dbraw/zinc/59/72/39/1365597239.db2.gz SUFPFDGYZUSPRY-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001103612428 1365675829 /nfs/dbraw/zinc/67/58/29/1365675829.db2.gz CJICUKLZLIATRY-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C ZINC001103612428 1365675833 /nfs/dbraw/zinc/67/58/33/1365675833.db2.gz CJICUKLZLIATRY-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C ZINC001103612428 1365675836 /nfs/dbraw/zinc/67/58/36/1365675836.db2.gz CJICUKLZLIATRY-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001103663470 1365711576 /nfs/dbraw/zinc/71/15/76/1365711576.db2.gz CRAYTSUXZOLDSI-GUDVDZBRSA-N 2 1 339.568 3.085 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001103663470 1365711578 /nfs/dbraw/zinc/71/15/78/1365711578.db2.gz CRAYTSUXZOLDSI-GUDVDZBRSA-N 2 1 339.568 3.085 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001103663470 1365711580 /nfs/dbraw/zinc/71/15/80/1365711580.db2.gz CRAYTSUXZOLDSI-GUDVDZBRSA-N 2 1 339.568 3.085 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001103753766 1365765284 /nfs/dbraw/zinc/76/52/84/1365765284.db2.gz ZDBGJLIPXQMOBW-WEPWYQGCSA-N 2 1 349.563 3.293 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001103756873 1365766681 /nfs/dbraw/zinc/76/66/81/1365766681.db2.gz DUVGOETVXFFMCC-PFRNKHFKSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001103756873 1365766686 /nfs/dbraw/zinc/76/66/86/1365766686.db2.gz DUVGOETVXFFMCC-PFRNKHFKSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001103756873 1365766689 /nfs/dbraw/zinc/76/66/89/1365766689.db2.gz DUVGOETVXFFMCC-PFRNKHFKSA-N 2 1 349.563 3.291 20 0 EGADMP CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104291779 1365977913 /nfs/dbraw/zinc/97/79/13/1365977913.db2.gz VFYVENXWXZMBLJ-GGPKGHCWSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001104793574 1366175421 /nfs/dbraw/zinc/17/54/21/1366175421.db2.gz CBQWMWKEEZTEGE-IEBWSBKVSA-N 2 1 346.519 3.012 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC001185763532 1387793052 /nfs/dbraw/zinc/79/30/52/1387793052.db2.gz SQAHNGPOMVDMRQ-ROUUACIJSA-N 2 1 339.568 3.227 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC2)C1 ZINC001104896449 1366213789 /nfs/dbraw/zinc/21/37/89/1366213789.db2.gz ZBRYHFGGBJNBJO-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1(C)CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001324897405 1387809548 /nfs/dbraw/zinc/80/95/48/1387809548.db2.gz LIPXZSUOTWMTHZ-GOSISDBHSA-N 2 1 345.531 3.308 20 0 EGADMP CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001105396074 1366444422 /nfs/dbraw/zinc/44/44/22/1366444422.db2.gz ICBPBQIIZCLBTJ-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001105396074 1366444424 /nfs/dbraw/zinc/44/44/24/1366444424.db2.gz ICBPBQIIZCLBTJ-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001105396074 1366444428 /nfs/dbraw/zinc/44/44/28/1366444428.db2.gz ICBPBQIIZCLBTJ-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001105539430 1366518667 /nfs/dbraw/zinc/51/86/67/1366518667.db2.gz FZMDYLPIUFSQDH-QRVBRYPASA-N 2 1 349.563 3.124 20 0 EGADMP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCC1 ZINC001105539797 1366518900 /nfs/dbraw/zinc/51/89/00/1366518900.db2.gz PWKPCJCVWSLBBR-IPMKNSEASA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001105541594 1366520001 /nfs/dbraw/zinc/52/00/01/1366520001.db2.gz FDMXXBSDXUKDSV-MOPGFXCFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001105556066 1366528716 /nfs/dbraw/zinc/52/87/16/1366528716.db2.gz AYQONXWCXWICNJ-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001105557041 1366529692 /nfs/dbraw/zinc/52/96/92/1366529692.db2.gz VWLNHXGQSWDKCH-OALUTQOASA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105577680 1366541760 /nfs/dbraw/zinc/54/17/60/1366541760.db2.gz YJAZIKCHOJQRSQ-OALUTQOASA-N 2 1 347.547 3.045 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H](C[NH2+]CCC(C)C)[C@H](C)C1 ZINC001106151417 1366614735 /nfs/dbraw/zinc/61/47/35/1366614735.db2.gz RLNHFBNXBABLOX-KZNAEPCWSA-N 2 1 348.535 3.127 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCCC2CCC2)[C@H](C)C1 ZINC001106210724 1366624799 /nfs/dbraw/zinc/62/47/99/1366624799.db2.gz BPCTZZQWGMUEAQ-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CCC1CCCCC1 ZINC001106322121 1366653605 /nfs/dbraw/zinc/65/36/05/1366653605.db2.gz KISUJYGDGKGTOZ-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001106350030 1366664779 /nfs/dbraw/zinc/66/47/79/1366664779.db2.gz WMIRBBJOXNXGEU-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C)c1ccccc1 ZINC001107042677 1366864077 /nfs/dbraw/zinc/86/40/77/1366864077.db2.gz XSKKDILTUDLYJL-RLLQIKCJSA-N 2 1 345.531 3.162 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107450873 1366968583 /nfs/dbraw/zinc/96/85/83/1366968583.db2.gz OPCMVQWKEGCEIH-QWFCFKBJSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001107462106 1366972463 /nfs/dbraw/zinc/97/24/63/1366972463.db2.gz STSQATYPQAOOHZ-UYAOXDASSA-N 2 1 347.547 3.166 20 0 EGADMP CC(C)(C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2)[NH+]1CCCC1 ZINC001107495203 1366994382 /nfs/dbraw/zinc/99/43/82/1366994382.db2.gz JVJQKPWLKRIIFO-WIYYLYMNSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107520752 1367016162 /nfs/dbraw/zinc/01/61/62/1367016162.db2.gz DRDDGDXSQJMXFJ-UYAOXDASSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107530182 1367022907 /nfs/dbraw/zinc/02/29/07/1367022907.db2.gz KTPVLNLIIRXQBU-JPKVPHHRSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC(C)(C)C)CC2 ZINC001107531014 1367022996 /nfs/dbraw/zinc/02/29/96/1367022996.db2.gz YHNGCNGRMVWGRK-YLJYHZDGSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2)[NH+](C)C ZINC001107533763 1367024955 /nfs/dbraw/zinc/02/49/55/1367024955.db2.gz FRDDMIGOQGOBRT-SFHLNBCPSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189484416 1367033773 /nfs/dbraw/zinc/03/37/73/1367033773.db2.gz HWYOTFNJUDSJJV-SLFFLAALSA-N 2 1 343.515 3.012 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)C ZINC001109308070 1367047218 /nfs/dbraw/zinc/04/72/18/1367047218.db2.gz NMDKYHAYPKFEFR-MHORFTMASA-N 2 1 346.519 3.164 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001109308070 1367047224 /nfs/dbraw/zinc/04/72/24/1367047224.db2.gz NMDKYHAYPKFEFR-MHORFTMASA-N 2 1 346.519 3.164 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCC(C)(C)C)CC3)C1 ZINC001107609566 1367069961 /nfs/dbraw/zinc/06/99/61/1367069961.db2.gz XKLPLSSANQEQCQ-WAOWUJCRSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCC(C)(C)C)CC3)C1 ZINC001107609566 1367069964 /nfs/dbraw/zinc/06/99/64/1367069964.db2.gz XKLPLSSANQEQCQ-WAOWUJCRSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCC(C)(C)C)CC3)C1 ZINC001107609566 1367069966 /nfs/dbraw/zinc/06/99/66/1367069966.db2.gz XKLPLSSANQEQCQ-WAOWUJCRSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCCC2)CCC1 ZINC001109403782 1367106269 /nfs/dbraw/zinc/10/62/69/1367106269.db2.gz YNFYMBWMZVZTPO-QYZOEREBSA-N 2 1 347.547 3.163 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001190246351 1367208511 /nfs/dbraw/zinc/20/85/11/1367208511.db2.gz BCSIIELXWPYTEX-HNGSOEQISA-N 2 1 346.519 3.286 20 0 EGADMP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190246351 1367208517 /nfs/dbraw/zinc/20/85/17/1367208517.db2.gz BCSIIELXWPYTEX-HNGSOEQISA-N 2 1 346.519 3.286 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190246351 1367208526 /nfs/dbraw/zinc/20/85/26/1367208526.db2.gz BCSIIELXWPYTEX-HNGSOEQISA-N 2 1 346.519 3.286 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190324260 1367227036 /nfs/dbraw/zinc/22/70/36/1367227036.db2.gz JLRRYHCNASGIKR-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC2(CC2)CC1 ZINC001109653960 1367265655 /nfs/dbraw/zinc/26/56/55/1367265655.db2.gz OWHQTHCIJUVIKB-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1)[NH+](C)C ZINC001109688319 1367283073 /nfs/dbraw/zinc/28/30/73/1367283073.db2.gz IVPSCZKIGZCJBU-FUMNGEBKSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1)[NH+](C)C ZINC001109688575 1367283500 /nfs/dbraw/zinc/28/35/00/1367283500.db2.gz WIZQCDSOGKMFCY-FUMNGEBKSA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)[NH+](CC)CC ZINC001109714558 1367289810 /nfs/dbraw/zinc/28/98/10/1367289810.db2.gz OOQMGPSCDOHQDI-HCXYKTFWSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C)[NH+](CC)CC ZINC001109714460 1367290376 /nfs/dbraw/zinc/29/03/76/1367290376.db2.gz LKGYZOMYKIWPKK-XWSJACJDSA-N 2 1 337.552 3.265 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190652785 1367317391 /nfs/dbraw/zinc/31/73/91/1367317391.db2.gz AOHVZOOXDALACE-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190652785 1367317395 /nfs/dbraw/zinc/31/73/95/1367317395.db2.gz AOHVZOOXDALACE-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190652785 1367317400 /nfs/dbraw/zinc/31/74/00/1367317400.db2.gz AOHVZOOXDALACE-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190657064 1367320068 /nfs/dbraw/zinc/32/00/68/1367320068.db2.gz YHBNMJYWGZKIQM-WEPWYQGCSA-N 2 1 347.547 3.282 20 0 EGADMP CC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190657064 1367320072 /nfs/dbraw/zinc/32/00/72/1367320072.db2.gz YHBNMJYWGZKIQM-WEPWYQGCSA-N 2 1 347.547 3.282 20 0 EGADMP CC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190657064 1367320077 /nfs/dbraw/zinc/32/00/77/1367320077.db2.gz YHBNMJYWGZKIQM-WEPWYQGCSA-N 2 1 347.547 3.282 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190656552 1367320161 /nfs/dbraw/zinc/32/01/61/1367320161.db2.gz UZYLGPKGVWCJSH-PXIXMTEYSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190656552 1367320165 /nfs/dbraw/zinc/32/01/65/1367320165.db2.gz UZYLGPKGVWCJSH-PXIXMTEYSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190656552 1367320170 /nfs/dbraw/zinc/32/01/70/1367320170.db2.gz UZYLGPKGVWCJSH-PXIXMTEYSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190890568 1367375506 /nfs/dbraw/zinc/37/55/06/1367375506.db2.gz SPKRMDUUMDZKIL-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918649 1367403450 /nfs/dbraw/zinc/40/34/50/1367403450.db2.gz SYNHFVSRVNKDAD-UOUNDWCUSA-N 2 1 347.547 3.185 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162220 1367436789 /nfs/dbraw/zinc/43/67/89/1367436789.db2.gz NAIWUUQHBGPZGM-XFHJGTJQSA-N 2 1 340.471 3.227 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001110017791 1367460294 /nfs/dbraw/zinc/46/02/94/1367460294.db2.gz NENXPJXVYDFCEK-AABGKKOBSA-N 2 1 347.547 3.330 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1=CCCCC1 ZINC001110017791 1367460296 /nfs/dbraw/zinc/46/02/96/1367460296.db2.gz NENXPJXVYDFCEK-AABGKKOBSA-N 2 1 347.547 3.330 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1=CCCCC1 ZINC001110017791 1367460301 /nfs/dbraw/zinc/46/03/01/1367460301.db2.gz NENXPJXVYDFCEK-AABGKKOBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191351579 1367481641 /nfs/dbraw/zinc/48/16/41/1367481641.db2.gz JGOSKZVMGQMICN-APWZRJJASA-N 2 1 342.487 3.163 20 0 EGADMP CC(C)CC1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001191495430 1367514299 /nfs/dbraw/zinc/51/42/99/1367514299.db2.gz MGDOCGGMSQRPMP-OAQYLSRUSA-N 2 1 330.516 3.382 20 0 EGADMP CC(C)CC1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001191495430 1367514301 /nfs/dbraw/zinc/51/43/01/1367514301.db2.gz MGDOCGGMSQRPMP-OAQYLSRUSA-N 2 1 330.516 3.382 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001110150863 1367526433 /nfs/dbraw/zinc/52/64/33/1367526433.db2.gz LTRTWECJWRILLF-AABGKKOBSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153901 1367527520 /nfs/dbraw/zinc/52/75/20/1367527520.db2.gz QWZPGGUCKODISQ-QYZOEREBSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110158500 1367530949 /nfs/dbraw/zinc/53/09/49/1367530949.db2.gz PWSUFGRQCOEOOZ-XWSJACJDSA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001110158500 1367530951 /nfs/dbraw/zinc/53/09/51/1367530951.db2.gz PWSUFGRQCOEOOZ-XWSJACJDSA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001110158500 1367530956 /nfs/dbraw/zinc/53/09/56/1367530956.db2.gz PWSUFGRQCOEOOZ-XWSJACJDSA-N 2 1 349.563 3.409 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161776 1367535001 /nfs/dbraw/zinc/53/50/01/1367535001.db2.gz SJZDWBYJWHBFHQ-FYQPLNBISA-N 2 1 349.563 3.409 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684447 1367560204 /nfs/dbraw/zinc/56/02/04/1367560204.db2.gz RUOCHNWVTODAOX-JTHGQSKGSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCC)C2 ZINC001108804804 1367606532 /nfs/dbraw/zinc/60/65/32/1367606532.db2.gz YOLFTLFAYMYUEC-QHWWWDCYSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192030390 1367668815 /nfs/dbraw/zinc/66/88/15/1367668815.db2.gz QIKVUJDFSKHDFS-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CC(C)CC[C@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001192158283 1367703762 /nfs/dbraw/zinc/70/37/62/1367703762.db2.gz LDLRLSQPAPROFZ-WOJBJXKFSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)CC[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001192158281 1367703998 /nfs/dbraw/zinc/70/39/98/1367703998.db2.gz LDLRLSQPAPROFZ-UXHICEINSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001192317439 1367748473 /nfs/dbraw/zinc/74/84/73/1367748473.db2.gz TTWGYRGQMHWKHD-UXHICEINSA-N 2 1 345.531 3.148 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1)[NH+](CC)CC ZINC001192324879 1367752486 /nfs/dbraw/zinc/75/24/86/1367752486.db2.gz ISHCLQFENNUBSD-ROUUACIJSA-N 2 1 339.568 3.466 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110550601 1367826827 /nfs/dbraw/zinc/82/68/27/1367826827.db2.gz WRUNOQRLLPJZPF-AKHDSKFASA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001110550601 1367826830 /nfs/dbraw/zinc/82/68/30/1367826830.db2.gz WRUNOQRLLPJZPF-AKHDSKFASA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001110550601 1367826838 /nfs/dbraw/zinc/82/68/38/1367826838.db2.gz WRUNOQRLLPJZPF-AKHDSKFASA-N 2 1 349.563 3.407 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@@H]1O ZINC001192850323 1367887645 /nfs/dbraw/zinc/88/76/45/1367887645.db2.gz WCDLQIJGEMUWPL-NQIIRXRSSA-N 2 1 330.516 3.034 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)C[C@@H](C)CC)C1 ZINC001192904500 1367900471 /nfs/dbraw/zinc/90/04/71/1367900471.db2.gz AGGKDQRLQSHFTA-ZWKOTPCHSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC001192904500 1367900476 /nfs/dbraw/zinc/90/04/76/1367900476.db2.gz AGGKDQRLQSHFTA-ZWKOTPCHSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](C)CC)C1 ZINC001192904500 1367900477 /nfs/dbraw/zinc/90/04/77/1367900477.db2.gz AGGKDQRLQSHFTA-ZWKOTPCHSA-N 2 1 325.541 3.077 20 0 EGADMP CC/C=C\CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001192906526 1367900859 /nfs/dbraw/zinc/90/08/59/1367900859.db2.gz MJSFOQUJUFFVNU-QIBOZCLASA-N 2 1 337.552 3.388 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192906526 1367900861 /nfs/dbraw/zinc/90/08/61/1367900861.db2.gz MJSFOQUJUFFVNU-QIBOZCLASA-N 2 1 337.552 3.388 20 0 EGADMP CC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192906526 1367900864 /nfs/dbraw/zinc/90/08/64/1367900864.db2.gz MJSFOQUJUFFVNU-QIBOZCLASA-N 2 1 337.552 3.388 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192947080 1367909093 /nfs/dbraw/zinc/90/90/93/1367909093.db2.gz HLEVZGSYRBFWBO-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001110684518 1367926267 /nfs/dbraw/zinc/92/62/67/1367926267.db2.gz NGAXGUWBEPPGHJ-DTGBZTBESA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001110684518 1367926268 /nfs/dbraw/zinc/92/62/68/1367926268.db2.gz NGAXGUWBEPPGHJ-DTGBZTBESA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001110684518 1367926269 /nfs/dbraw/zinc/92/62/69/1367926269.db2.gz NGAXGUWBEPPGHJ-DTGBZTBESA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001110693982 1367932128 /nfs/dbraw/zinc/93/21/28/1367932128.db2.gz XWDXQPUNHXGUDK-ZRNYENFQSA-N 2 1 347.547 3.185 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001110736728 1367954621 /nfs/dbraw/zinc/95/46/21/1367954621.db2.gz KIMRXHBTWWNNRJ-QRVBRYPASA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001110736728 1367954622 /nfs/dbraw/zinc/95/46/22/1367954622.db2.gz KIMRXHBTWWNNRJ-QRVBRYPASA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001110736728 1367954624 /nfs/dbraw/zinc/95/46/24/1367954624.db2.gz KIMRXHBTWWNNRJ-QRVBRYPASA-N 2 1 349.563 3.409 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754221 1367961688 /nfs/dbraw/zinc/96/16/88/1367961688.db2.gz JRQFVWISBMPKPP-XWHCPSPJSA-N 2 1 347.547 3.185 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001110754221 1367961691 /nfs/dbraw/zinc/96/16/91/1367961691.db2.gz JRQFVWISBMPKPP-XWHCPSPJSA-N 2 1 347.547 3.185 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001110754221 1367961694 /nfs/dbraw/zinc/96/16/94/1367961694.db2.gz JRQFVWISBMPKPP-XWHCPSPJSA-N 2 1 347.547 3.185 20 0 EGADMP CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110857929 1368038670 /nfs/dbraw/zinc/03/86/70/1368038670.db2.gz XJFKXCLIDZMDTI-QRVBRYPASA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001110857929 1368038675 /nfs/dbraw/zinc/03/86/75/1368038675.db2.gz XJFKXCLIDZMDTI-QRVBRYPASA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001110857929 1368038680 /nfs/dbraw/zinc/03/86/80/1368038680.db2.gz XJFKXCLIDZMDTI-QRVBRYPASA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC001193516935 1368051356 /nfs/dbraw/zinc/05/13/56/1368051356.db2.gz KIPIOASBQVYHOD-SFHVURJKSA-N 2 1 328.504 3.480 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571556 1368064813 /nfs/dbraw/zinc/06/48/13/1368064813.db2.gz TZJBECUZECLDJI-RTBURBONSA-N 2 1 345.531 3.321 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001110934616 1368104681 /nfs/dbraw/zinc/10/46/81/1368104681.db2.gz JNDSDZTZMQKPHI-ZFTSPJNCSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001110934616 1368104687 /nfs/dbraw/zinc/10/46/87/1368104687.db2.gz JNDSDZTZMQKPHI-ZFTSPJNCSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001110934616 1368104691 /nfs/dbraw/zinc/10/46/91/1368104691.db2.gz JNDSDZTZMQKPHI-ZFTSPJNCSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099663 1368158594 /nfs/dbraw/zinc/15/85/94/1368158594.db2.gz QWWKQWKTXBENIS-AFYVEPGGSA-N 2 1 349.563 3.122 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111165532 1368176002 /nfs/dbraw/zinc/17/60/02/1368176002.db2.gz MWOBADSPNFSJRQ-WTGUMLROSA-N 2 1 343.515 3.201 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1cccc(C)c1 ZINC001111235065 1368210312 /nfs/dbraw/zinc/21/03/12/1368210312.db2.gz XKKSAZYENAGHQP-NBYUQASBSA-N 2 1 343.515 3.119 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1cccc(C)c1 ZINC001111235065 1368210315 /nfs/dbraw/zinc/21/03/15/1368210315.db2.gz XKKSAZYENAGHQP-NBYUQASBSA-N 2 1 343.515 3.119 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1cccc(C)c1 ZINC001111235065 1368210319 /nfs/dbraw/zinc/21/03/19/1368210319.db2.gz XKKSAZYENAGHQP-NBYUQASBSA-N 2 1 343.515 3.119 20 0 EGADMP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274227 1368221578 /nfs/dbraw/zinc/22/15/78/1368221578.db2.gz GCGVKPJXHQXLLA-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274227 1368221582 /nfs/dbraw/zinc/22/15/82/1368221582.db2.gz GCGVKPJXHQXLLA-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194273901 1368221690 /nfs/dbraw/zinc/22/16/90/1368221690.db2.gz BSLDNDQDGJWMFU-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194448960 1368263967 /nfs/dbraw/zinc/26/39/67/1368263967.db2.gz OVLQEAKZEQPRDJ-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194448960 1368263972 /nfs/dbraw/zinc/26/39/72/1368263972.db2.gz OVLQEAKZEQPRDJ-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194448960 1368263978 /nfs/dbraw/zinc/26/39/78/1368263978.db2.gz OVLQEAKZEQPRDJ-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194448960 1368263985 /nfs/dbraw/zinc/26/39/85/1368263985.db2.gz OVLQEAKZEQPRDJ-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111460024 1368311026 /nfs/dbraw/zinc/31/10/26/1368311026.db2.gz LJPOFSRQFNZXBR-KURKYZTESA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111467705 1368312685 /nfs/dbraw/zinc/31/26/85/1368312685.db2.gz SJZDWBYJWHBFHQ-ZRNYENFQSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1CCCCC1)C2)[NH+](C)C ZINC001111788966 1368462410 /nfs/dbraw/zinc/46/24/10/1368462410.db2.gz RLRPUKDJDFCKFK-ZVDOUQERSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CCC(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+](C)C)C2)CC1 ZINC001111858170 1368509653 /nfs/dbraw/zinc/50/96/53/1368509653.db2.gz RJYLJQQVASVMJE-XSNSTOHYSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCCC1)C2 ZINC001111947677 1368570392 /nfs/dbraw/zinc/57/03/92/1368570392.db2.gz VFBVNOMIJIMENZ-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCN(C(=O)[C@H](CC(C)C)n2ccnc2)CC1 ZINC001196242175 1368574267 /nfs/dbraw/zinc/57/42/67/1368574267.db2.gz FPNNOAUTHHARDS-ROUUACIJSA-N 2 1 334.508 3.051 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001196367335 1368599165 /nfs/dbraw/zinc/59/91/65/1368599165.db2.gz XYVOEEOZVXOODX-UHFFFAOYSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001196717923 1368669128 /nfs/dbraw/zinc/66/91/28/1368669128.db2.gz GKUNLZHNAONMKP-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[NH+](CCCC(C)C)CC2)C1 ZINC001196890595 1368708564 /nfs/dbraw/zinc/70/85/64/1368708564.db2.gz RWQPNYXLPRYIDP-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[N@H+](CCCC(C)C)CC2)C1 ZINC001196890595 1368708566 /nfs/dbraw/zinc/70/85/66/1368708566.db2.gz RWQPNYXLPRYIDP-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[N@@H+](CCCC(C)C)CC2)C1 ZINC001196890595 1368708568 /nfs/dbraw/zinc/70/85/68/1368708568.db2.gz RWQPNYXLPRYIDP-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196963760 1368722270 /nfs/dbraw/zinc/72/22/70/1368722270.db2.gz YSWBGGOFZWJHJL-IBGZPJMESA-N 2 1 349.494 3.153 20 0 EGADMP CC(C)c1ccc(C[N@H+]2CCCN(C(=O)CCC[NH+](C)C)CC2)cc1 ZINC001196970388 1368723611 /nfs/dbraw/zinc/72/36/11/1368723611.db2.gz BNCADYOVWMKPGD-UHFFFAOYSA-N 2 1 345.531 3.186 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)CCn2ccnc2C(C)C)CC1 ZINC001197324052 1368787843 /nfs/dbraw/zinc/78/78/43/1368787843.db2.gz LUPOESFQTURKBD-UHFFFAOYSA-N 2 1 334.508 3.121 20 0 EGADMP CCCCC[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001197324052 1368787848 /nfs/dbraw/zinc/78/78/48/1368787848.db2.gz LUPOESFQTURKBD-UHFFFAOYSA-N 2 1 334.508 3.121 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001197324052 1368787850 /nfs/dbraw/zinc/78/78/50/1368787850.db2.gz LUPOESFQTURKBD-UHFFFAOYSA-N 2 1 334.508 3.121 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001197330875 1368789043 /nfs/dbraw/zinc/78/90/43/1368789043.db2.gz FBUXUOMEZGNCBC-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001112359689 1368790557 /nfs/dbraw/zinc/79/05/57/1368790557.db2.gz FKSAAKNWZGERRV-ZWOKBUDYSA-N 2 1 346.519 3.025 20 0 EGADMP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001112382469 1368810293 /nfs/dbraw/zinc/81/02/93/1368810293.db2.gz ZNXCBIQEBNDBBW-ZVDOUQERSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N1CCC[NH+](CCC2CC2)CC1)c1ccccc1 ZINC001197801749 1368899937 /nfs/dbraw/zinc/89/99/37/1368899937.db2.gz BPCVMEMSPIXTRS-FQEVSTJZSA-N 2 1 343.515 3.014 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[NH+](CCC2CC2)CC1)c1ccccc1 ZINC001197801749 1368899940 /nfs/dbraw/zinc/89/99/40/1368899940.db2.gz BPCVMEMSPIXTRS-FQEVSTJZSA-N 2 1 343.515 3.014 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@H+](CCC2CC2)CC1)c1ccccc1 ZINC001197801749 1368899945 /nfs/dbraw/zinc/89/99/45/1368899945.db2.gz BPCVMEMSPIXTRS-FQEVSTJZSA-N 2 1 343.515 3.014 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@@H+](CCC2CC2)CC1)c1ccccc1 ZINC001197801749 1368899950 /nfs/dbraw/zinc/89/99/50/1368899950.db2.gz BPCVMEMSPIXTRS-FQEVSTJZSA-N 2 1 343.515 3.014 20 0 EGADMP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001112540028 1368920595 /nfs/dbraw/zinc/92/05/95/1368920595.db2.gz BQVSVMCPEICXFR-ZVDOUQERSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001198260077 1368992245 /nfs/dbraw/zinc/99/22/45/1368992245.db2.gz WWFMHXMFEYSIPV-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](C[C@@H](C)CC(C)C)CC1 ZINC001198260077 1368992247 /nfs/dbraw/zinc/99/22/47/1368992247.db2.gz WWFMHXMFEYSIPV-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](C[C@@H](C)CC(C)C)CC1 ZINC001198260077 1368992251 /nfs/dbraw/zinc/99/22/51/1368992251.db2.gz WWFMHXMFEYSIPV-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CN(CC(=O)N1CCC[N@@H+](CCC(C)(C)C)CC1)Cc1ccccc1 ZINC001198363973 1369015555 /nfs/dbraw/zinc/01/55/55/1369015555.db2.gz HORNALLBURPIOC-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP C[N@H+](CC(=O)N1CCC[NH+](CCC(C)(C)C)CC1)Cc1ccccc1 ZINC001198363973 1369015559 /nfs/dbraw/zinc/01/55/59/1369015559.db2.gz HORNALLBURPIOC-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[NH+](CCC(C)(C)C)CC1)Cc1ccccc1 ZINC001198363973 1369015562 /nfs/dbraw/zinc/01/55/62/1369015562.db2.gz HORNALLBURPIOC-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP C[NH+](CC(=O)N1CCC[N@H+](CCC(C)(C)C)CC1)Cc1ccccc1 ZINC001198363973 1369015565 /nfs/dbraw/zinc/01/55/65/1369015565.db2.gz HORNALLBURPIOC-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP C[NH+](CC(=O)N1CCC[N@@H+](CCC(C)(C)C)CC1)Cc1ccccc1 ZINC001198363973 1369015571 /nfs/dbraw/zinc/01/55/71/1369015571.db2.gz HORNALLBURPIOC-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001112966160 1369113092 /nfs/dbraw/zinc/11/30/92/1369113092.db2.gz UPCOJOJGOORZBX-GHOSXJJBSA-N 2 1 335.536 3.140 20 0 EGADMP CC[N@H+](C)C(C)(C)C(=O)N1CC[NH+]([C@@H](C)c2cc(C)ccc2C)CC1 ZINC001113035038 1369155236 /nfs/dbraw/zinc/15/52/36/1369155236.db2.gz GSQLBMSCEVGQKJ-SFHVURJKSA-N 2 1 345.531 3.239 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[NH+]([C@@H](C)c2cc(C)ccc2C)CC1 ZINC001113035038 1369155238 /nfs/dbraw/zinc/15/52/38/1369155238.db2.gz GSQLBMSCEVGQKJ-SFHVURJKSA-N 2 1 345.531 3.239 20 0 EGADMP C[N@@H+](CC(=O)N1CC[NH+](CCC2CCCCC2)CC1)CC(C)(C)C ZINC001113353020 1369364545 /nfs/dbraw/zinc/36/45/45/1369364545.db2.gz IMOVCRNLNYGHML-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001200451248 1369371349 /nfs/dbraw/zinc/37/13/49/1369371349.db2.gz XVRKDSILLJTJAR-INIZCTEOSA-N 2 1 340.254 3.278 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001200577606 1369392633 /nfs/dbraw/zinc/39/26/33/1369392633.db2.gz BGWHBLMCQRCQSV-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001113401620 1369400446 /nfs/dbraw/zinc/40/04/46/1369400446.db2.gz JQRTVALWEDYZOI-VOFKWLDRSA-N 2 1 335.536 3.142 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001113402831 1369400815 /nfs/dbraw/zinc/40/08/15/1369400815.db2.gz GZSOGOKKVCMYCK-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCCC(C)(C)C)CC1 ZINC001113402928 1369400996 /nfs/dbraw/zinc/40/09/96/1369400996.db2.gz LLCZCJGFGLNYQC-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC([NH2+]CCC(C)C)CC1 ZINC001200644494 1369404792 /nfs/dbraw/zinc/40/47/92/1369404792.db2.gz NIPPMFTXCZBRJV-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201053452 1369472994 /nfs/dbraw/zinc/47/29/94/1369472994.db2.gz PRFGEQUSNMZKQI-LJQANCHMSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001201229659 1369499997 /nfs/dbraw/zinc/49/99/97/1369499997.db2.gz FPTDGQMBIJOJJP-MOPGFXCFSA-N 2 1 349.563 3.410 20 0 EGADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001201390140 1369534621 /nfs/dbraw/zinc/53/46/21/1369534621.db2.gz RSYIRTZTPIFTSH-SFHVURJKSA-N 2 1 336.520 3.306 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001113682544 1369562903 /nfs/dbraw/zinc/56/29/03/1369562903.db2.gz HGVHDONUDPQWRF-PXDRNWIDSA-N 2 1 349.563 3.388 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CCC(C)C)CC1 ZINC001203283878 1370061903 /nfs/dbraw/zinc/06/19/03/1370061903.db2.gz WKIVYWCMOAQCDZ-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC([NH2+]CC=C(C)C)CC1)c1ccccc1 ZINC001203313929 1370078379 /nfs/dbraw/zinc/07/83/79/1370078379.db2.gz WBWMDLXXTCXOBU-HXUWFJFHSA-N 2 1 343.515 3.226 20 0 EGADMP CC[C@H](F)C[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001203313850 1370078439 /nfs/dbraw/zinc/07/84/39/1370078439.db2.gz UJLLYGPHWICQLS-PKOBYXMFSA-N 2 1 349.494 3.008 20 0 EGADMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4Cl)C[C@@H]3C2)cn1 ZINC001203379111 1370105812 /nfs/dbraw/zinc/10/58/12/1370105812.db2.gz OPKCEZLDKJCTPG-AEFFLSMTSA-N 2 1 344.890 3.027 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4Cl)C[C@@H]3C2)cn1 ZINC001203379111 1370105814 /nfs/dbraw/zinc/10/58/14/1370105814.db2.gz OPKCEZLDKJCTPG-AEFFLSMTSA-N 2 1 344.890 3.027 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4Cl)C[C@@H]3C2)cn1 ZINC001203379111 1370105817 /nfs/dbraw/zinc/10/58/17/1370105817.db2.gz OPKCEZLDKJCTPG-AEFFLSMTSA-N 2 1 344.890 3.027 20 0 EGADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4Cl)C[C@@H]3C2)cn1 ZINC001203379111 1370105819 /nfs/dbraw/zinc/10/58/19/1370105819.db2.gz OPKCEZLDKJCTPG-AEFFLSMTSA-N 2 1 344.890 3.027 20 0 EGADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4Cl)C[C@@H]3C2)cn1 ZINC001203379111 1370105822 /nfs/dbraw/zinc/10/58/22/1370105822.db2.gz OPKCEZLDKJCTPG-AEFFLSMTSA-N 2 1 344.890 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001203431914 1370123076 /nfs/dbraw/zinc/12/30/76/1370123076.db2.gz VCDBKCGBCVYCDI-SFHVURJKSA-N 2 1 345.531 3.369 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203576491 1370176551 /nfs/dbraw/zinc/17/65/51/1370176551.db2.gz DWVKBJWMZPTTRN-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)ccc1C)C2 ZINC001203747463 1370247053 /nfs/dbraw/zinc/24/70/53/1370247053.db2.gz GKIPNFJSSPGZJW-YADHBBJMSA-N 2 1 342.527 3.484 20 0 EGADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cccc(Oc2ccccc2)c1 ZINC001203816154 1370275037 /nfs/dbraw/zinc/27/50/37/1370275037.db2.gz YWMQKHUMLHKYDD-UHFFFAOYSA-N 2 1 339.483 3.158 20 0 EGADMP COc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001203820844 1370277510 /nfs/dbraw/zinc/27/75/10/1370277510.db2.gz LFAFSBRUZZDUQG-IRXDYDNUSA-N 2 1 328.481 3.321 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC001203925532 1370316915 /nfs/dbraw/zinc/31/69/15/1370316915.db2.gz REKWJXMSDMJIGO-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP CCc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)cc1 ZINC001204176607 1370400551 /nfs/dbraw/zinc/40/05/51/1370400551.db2.gz SNQSFVLFKZLQAZ-YADHBBJMSA-N 2 1 342.527 3.429 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC001204267382 1370427380 /nfs/dbraw/zinc/42/73/80/1370427380.db2.gz RMHQHZLNLMJWSX-QUCCMNQESA-N 2 1 332.488 3.018 20 0 EGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001204433759 1370476052 /nfs/dbraw/zinc/47/60/52/1370476052.db2.gz FSEGUUCEMMMVCO-GASCZTMLSA-N 2 1 328.378 3.359 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001204433759 1370476055 /nfs/dbraw/zinc/47/60/55/1370476055.db2.gz FSEGUUCEMMMVCO-GASCZTMLSA-N 2 1 328.378 3.359 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001204433759 1370476058 /nfs/dbraw/zinc/47/60/58/1370476058.db2.gz FSEGUUCEMMMVCO-GASCZTMLSA-N 2 1 328.378 3.359 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001204433759 1370476059 /nfs/dbraw/zinc/47/60/59/1370476059.db2.gz FSEGUUCEMMMVCO-GASCZTMLSA-N 2 1 328.378 3.359 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1 ZINC001115535095 1370532308 /nfs/dbraw/zinc/53/23/08/1370532308.db2.gz JQUJRYMNMUGVTK-ACBHZAAOSA-N 2 1 349.563 3.314 20 0 EGADMP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115535365 1370532407 /nfs/dbraw/zinc/53/24/07/1370532407.db2.gz SRKOZEAUXAIUKW-MSOLQXFVSA-N 2 1 337.552 3.314 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCC3CCCC3)CCCCC2)CC[N@H+]1C ZINC001115544880 1370541978 /nfs/dbraw/zinc/54/19/78/1370541978.db2.gz GFYJXXQPJJAVOF-IEBWSBKVSA-N 2 1 349.563 3.316 20 0 EGADMP Fc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1OC(F)F ZINC001204742991 1370561497 /nfs/dbraw/zinc/56/14/97/1370561497.db2.gz WAKNPPPQUPQYSA-UHFFFAOYSA-N 2 1 328.378 3.393 20 0 EGADMP [NH3+]CC[C@H]1C[N@@H+](Cc2cccc(-c3ccc(F)cc3F)c2)CCO1 ZINC001204755729 1370567656 /nfs/dbraw/zinc/56/76/56/1370567656.db2.gz HTXYKSKGQHLYMK-KRWDZBQOSA-N 2 1 332.394 3.181 20 0 EGADMP COc1ccc(Oc2cccc(C[N@@H+]3CCO[C@@H](CC[NH3+])C3)c2)cc1 ZINC001204755269 1370567886 /nfs/dbraw/zinc/56/78/86/1370567886.db2.gz FDQIQUXMPXWERM-FQEVSTJZSA-N 2 1 342.439 3.037 20 0 EGADMP COc1ccc(Oc2cccc(C[N@H+]3CCO[C@@H](CC[NH3+])C3)c2)cc1 ZINC001204755269 1370567888 /nfs/dbraw/zinc/56/78/88/1370567888.db2.gz FDQIQUXMPXWERM-FQEVSTJZSA-N 2 1 342.439 3.037 20 0 EGADMP Cc1ccc(N(C)c2ccc(C[N@@H+]3CCO[C@H](CC[NH3+])C3)cc2)cc1 ZINC001204757562 1370568770 /nfs/dbraw/zinc/56/87/70/1370568770.db2.gz ZWRHNZGNKZOMPQ-OAQYLSRUSA-N 2 1 339.483 3.313 20 0 EGADMP Cc1ccc(N(C)c2ccc(C[N@H+]3CCO[C@H](CC[NH3+])C3)cc2)cc1 ZINC001204757562 1370568774 /nfs/dbraw/zinc/56/87/74/1370568774.db2.gz ZWRHNZGNKZOMPQ-OAQYLSRUSA-N 2 1 339.483 3.313 20 0 EGADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)CCO1 ZINC001204756989 1370569161 /nfs/dbraw/zinc/56/91/61/1370569161.db2.gz VWUYFYSIZREDMS-QGZVFWFLSA-N 2 1 332.394 3.181 20 0 EGADMP C[N@@H+](CC(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1)C1CCC1 ZINC001115573938 1370576767 /nfs/dbraw/zinc/57/67/67/1370576767.db2.gz YSCRPNJHKNIXGH-UHFFFAOYSA-N 2 1 349.563 3.460 20 0 EGADMP COc1ccc(-c2cccc(C[N@H+]3CCC[C@@](O)(C[NH3+])CC3)c2)cc1 ZINC001205219437 1370684832 /nfs/dbraw/zinc/68/48/32/1370684832.db2.gz CXXGHEMYWCJYTI-NRFANRHFSA-N 2 1 340.467 3.038 20 0 EGADMP Cn1c2ccccc2c2cc(C[N@H+]3CCC[C@](O)(C[NH3+])CC3)ccc21 ZINC001205221204 1370686484 /nfs/dbraw/zinc/68/64/84/1370686484.db2.gz RFAJOBFUFCZQHH-OAQYLSRUSA-N 2 1 337.467 3.007 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC001205231088 1370689139 /nfs/dbraw/zinc/68/91/39/1370689139.db2.gz WPGWCTRIHIQIJK-AWEZNQCLSA-N 2 1 336.785 3.035 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)nc2)CC1 ZINC001205248604 1370695641 /nfs/dbraw/zinc/69/56/41/1370695641.db2.gz QHVXBKOTVUOXKZ-LJQANCHMSA-N 2 1 345.874 3.078 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205285345 1370706945 /nfs/dbraw/zinc/70/69/45/1370706945.db2.gz WGYMHWRWOLKQEQ-FMEUAVTJSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001205296483 1370711646 /nfs/dbraw/zinc/71/16/46/1370711646.db2.gz APKOFQMKIILCDU-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC(CC)CC)CC1 ZINC001205420467 1370749610 /nfs/dbraw/zinc/74/96/10/1370749610.db2.gz VOFUTUFGPZSCCF-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)=CC[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205461561 1370762954 /nfs/dbraw/zinc/76/29/54/1370762954.db2.gz NMASKJHITQWHRB-LJQANCHMSA-N 2 1 335.536 3.044 20 0 EGADMP CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205461347 1370762967 /nfs/dbraw/zinc/76/29/67/1370762967.db2.gz HMNAJUBNBMEKFN-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCn1cc(CN2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC001205557517 1370790033 /nfs/dbraw/zinc/79/00/33/1370790033.db2.gz TUXZBADJHJZRCB-NRFANRHFSA-N 2 1 338.499 3.391 20 0 EGADMP COc1ccc(-c2ncc(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)s2)cc1 ZINC001205559539 1370791424 /nfs/dbraw/zinc/79/14/24/1370791424.db2.gz RUCVDPJMHCRYNX-GOSISDBHSA-N 2 1 349.475 3.472 20 0 EGADMP Cc1cccc(Br)c1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205592575 1370804191 /nfs/dbraw/zinc/80/41/91/1370804191.db2.gz WOLDOBFFUCDFPB-OAHLLOKOSA-N 2 1 329.257 3.410 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(OC)c1Cl ZINC001205592339 1370803798 /nfs/dbraw/zinc/80/37/98/1370803798.db2.gz TXSXICIYARCBEY-MRXNPFEDSA-N 2 1 330.831 3.010 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@@H]1C[NH3+] ZINC001205601804 1370806151 /nfs/dbraw/zinc/80/61/51/1370806151.db2.gz GNZRRHMSVWLFGR-HMXCVIKNSA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@@H]1C[NH3+] ZINC001205601804 1370806154 /nfs/dbraw/zinc/80/61/54/1370806154.db2.gz GNZRRHMSVWLFGR-HMXCVIKNSA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1C[NH3+] ZINC001205601804 1370806159 /nfs/dbraw/zinc/80/61/59/1370806159.db2.gz GNZRRHMSVWLFGR-HMXCVIKNSA-N 2 1 329.532 3.205 20 0 EGADMP C[C@@H]1CC[N@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC[C@@H]1C[NH3+] ZINC001205601804 1370806166 /nfs/dbraw/zinc/80/61/66/1370806166.db2.gz GNZRRHMSVWLFGR-HMXCVIKNSA-N 2 1 329.532 3.205 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC[C@@H]1C[NH3+] ZINC001205601804 1370806170 /nfs/dbraw/zinc/80/61/70/1370806170.db2.gz GNZRRHMSVWLFGR-HMXCVIKNSA-N 2 1 329.532 3.205 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205601624 1370806706 /nfs/dbraw/zinc/80/67/06/1370806706.db2.gz FLFBSOOHUXCHLD-CRAIPNDOSA-N 2 1 326.488 3.296 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(OC(F)(F)F)c1 ZINC001205627172 1370816412 /nfs/dbraw/zinc/81/64/12/1370816412.db2.gz NKIKXKIWQRJQSM-STQMWFEESA-N 2 1 346.393 3.401 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1OC(F)(F)F ZINC001205628331 1370817610 /nfs/dbraw/zinc/81/76/10/1370817610.db2.gz VCPXXHSRDNJXPM-OCCSQVGLSA-N 2 1 346.393 3.401 20 0 EGADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(Cl)c1 ZINC001205637809 1370821551 /nfs/dbraw/zinc/82/15/51/1370821551.db2.gz IXGLKSNPZVHBFE-UKRRQHHQSA-N 2 1 338.879 3.324 20 0 EGADMP Cc1nc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(Br)s1 ZINC001205638039 1370821660 /nfs/dbraw/zinc/82/16/60/1370821660.db2.gz KOPDSJFPYNFFHV-GXSJLCMTSA-N 2 1 332.311 3.021 20 0 EGADMP Cc1nc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(Br)s1 ZINC001205638039 1370821662 /nfs/dbraw/zinc/82/16/62/1370821662.db2.gz KOPDSJFPYNFFHV-GXSJLCMTSA-N 2 1 332.311 3.021 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205637408 1370822125 /nfs/dbraw/zinc/82/21/25/1370822125.db2.gz GVUUDQSINJKMGT-LSDHHAIUSA-N 2 1 332.879 3.333 20 0 EGADMP COc1cccc(Br)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205651630 1370828885 /nfs/dbraw/zinc/82/88/85/1370828885.db2.gz HSTPAHFUXXNIPQ-OLZOCXBDSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@H]1CC[N@H+](Cc2c(Cl)cncc2Br)CC[C@@H]1C[NH3+] ZINC001205653807 1370830528 /nfs/dbraw/zinc/83/05/28/1370830528.db2.gz VSMUQOMDVDZFNF-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c(Cl)cncc2Br)CC[C@@H]1C[NH3+] ZINC001205653807 1370830534 /nfs/dbraw/zinc/83/05/34/1370830534.db2.gz VSMUQOMDVDZFNF-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP COc1ccc(-c2ccc(C[N@H+]3CCCC[C@](O)(C[NH3+])C3)cc2)cc1 ZINC001205672337 1370838175 /nfs/dbraw/zinc/83/81/75/1370838175.db2.gz IZVAJNUALIJYPZ-NRFANRHFSA-N 2 1 340.467 3.038 20 0 EGADMP CC(C)C[C@@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[NH+](C)C ZINC001116125334 1370842559 /nfs/dbraw/zinc/84/25/59/1370842559.db2.gz IXNBKQXMXGDNEX-DLBZAZTESA-N 2 1 339.911 3.035 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)C1 ZINC001205725459 1370852477 /nfs/dbraw/zinc/85/24/77/1370852477.db2.gz HXEOJOOBZJAEDD-FQEVSTJZSA-N 2 1 346.421 3.308 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CCCc1cccc(Br)c1 ZINC001205903003 1370906342 /nfs/dbraw/zinc/90/63/42/1370906342.db2.gz MKJLTUQBOHNVDF-ZFWWWQNUSA-N 2 1 325.294 3.441 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205916277 1370909278 /nfs/dbraw/zinc/90/92/78/1370909278.db2.gz UJHTZKUMFNSABK-RYUDHWBXSA-N 2 1 332.366 3.153 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205916277 1370909283 /nfs/dbraw/zinc/90/92/83/1370909283.db2.gz UJHTZKUMFNSABK-RYUDHWBXSA-N 2 1 332.366 3.153 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205916166 1370909329 /nfs/dbraw/zinc/90/93/29/1370909329.db2.gz SFTOCAXSEUVAAS-LSDHHAIUSA-N 2 1 343.471 3.212 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205916166 1370909340 /nfs/dbraw/zinc/90/93/40/1370909340.db2.gz SFTOCAXSEUVAAS-LSDHHAIUSA-N 2 1 343.471 3.212 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cn1 ZINC001205922902 1370911751 /nfs/dbraw/zinc/91/17/51/1370911751.db2.gz DBDPNSLUVITBMJ-SJLPKXTDSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(OCc2ccccc2)cn1 ZINC001205922902 1370911753 /nfs/dbraw/zinc/91/17/53/1370911753.db2.gz DBDPNSLUVITBMJ-SJLPKXTDSA-N 2 1 325.456 3.220 20 0 EGADMP COc1ccc2c(OC)ccc(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H]3C)c2c1 ZINC001205923213 1370912269 /nfs/dbraw/zinc/91/22/69/1370912269.db2.gz KZIBDZBIELWMCO-GJZGRUSLSA-N 2 1 328.456 3.416 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1OC(F)F ZINC001205992075 1370932161 /nfs/dbraw/zinc/93/21/61/1370932161.db2.gz DGDBBIZKTZGYEB-OCCSQVGLSA-N 2 1 328.403 3.103 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(F)c2Br)CCC[C@@H]1C[NH3+] ZINC001205994079 1370933319 /nfs/dbraw/zinc/93/33/19/1370933319.db2.gz IYWXDASFQPOYOO-NWDGAFQWSA-N 2 1 329.257 3.395 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)no2)cc1 ZINC001205996712 1370933384 /nfs/dbraw/zinc/93/33/84/1370933384.db2.gz XVZXYHLKHFYGFF-GOEBONIOSA-N 2 1 329.444 3.157 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cc(Br)cnc2Cl)CCC[C@H]1C[NH3+] ZINC001206003475 1370935809 /nfs/dbraw/zinc/93/58/09/1370935809.db2.gz IIUOCWZJABMZSZ-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc(Br)cnc2Cl)CCC[C@H]1C[NH3+] ZINC001206003475 1370935815 /nfs/dbraw/zinc/93/58/15/1370935815.db2.gz IIUOCWZJABMZSZ-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@H+](Cc2nc(Cl)ccc2Br)CCC[C@@H]1C[NH3+] ZINC001206013192 1370937669 /nfs/dbraw/zinc/93/76/69/1370937669.db2.gz QAUQKGGEXZYQTH-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2nc(Cl)ccc2Br)CCC[C@@H]1C[NH3+] ZINC001206013192 1370937671 /nfs/dbraw/zinc/93/76/71/1370937671.db2.gz QAUQKGGEXZYQTH-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP CCOC(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206023293 1370940847 /nfs/dbraw/zinc/94/08/47/1370940847.db2.gz FQHWXUYVOPGSGS-ZIAGYGMSSA-N 2 1 338.879 3.324 20 0 EGADMP C[C@@H]1C[N@H+](Cc2c(Br)ccnc2Cl)CCC[C@H]1C[NH3+] ZINC001206028915 1370943597 /nfs/dbraw/zinc/94/35/97/1370943597.db2.gz ZSEZZWXLGGPZOY-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2c(Br)ccnc2Cl)CCC[C@H]1C[NH3+] ZINC001206028915 1370943601 /nfs/dbraw/zinc/94/36/01/1370943601.db2.gz ZSEZZWXLGGPZOY-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP CCSc1ncc2cccc(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)n21 ZINC001206036696 1370944856 /nfs/dbraw/zinc/94/48/56/1370944856.db2.gz OCENMEPKWBGJDB-LSDHHAIUSA-N 2 1 332.517 3.253 20 0 EGADMP CN(CCC[N@H+]1CCC[C@H](Cc2nccn2C)C1)c1ccccc1 ZINC001326041243 1388104679 /nfs/dbraw/zinc/10/46/79/1388104679.db2.gz QGBNMDXUAOHCID-GOSISDBHSA-N 2 1 326.488 3.201 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c3cc(Br)ccc23)CC[C@H]1F ZINC001206187317 1370987109 /nfs/dbraw/zinc/98/71/09/1370987109.db2.gz SQJMBQIXEKTQIW-ZIAGYGMSSA-N 2 1 340.240 3.192 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)CC[C@H]1F ZINC001206187317 1370987111 /nfs/dbraw/zinc/98/71/11/1370987111.db2.gz SQJMBQIXEKTQIW-ZIAGYGMSSA-N 2 1 340.240 3.192 20 0 EGADMP CCC/C=C\CC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001206288742 1371012671 /nfs/dbraw/zinc/01/26/71/1371012671.db2.gz YOYHVGFGCQINPK-SREVYHEPSA-N 2 1 349.563 3.293 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001206287294 1371013412 /nfs/dbraw/zinc/01/34/12/1371013412.db2.gz BKEVNLRUMVBUEJ-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001206296728 1371013782 /nfs/dbraw/zinc/01/37/82/1371013782.db2.gz UJMFIDAAOJQCKA-OAQYLSRUSA-N 3 1 329.532 3.350 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(O)c2Br)CC1 ZINC001206310856 1371017631 /nfs/dbraw/zinc/01/76/31/1371017631.db2.gz DLAVNZNHPASAIY-OAHLLOKOSA-N 2 1 327.266 3.106 20 0 EGADMP C[C@@]1(C[NH3+])CCCCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001206541765 1371087330 /nfs/dbraw/zinc/08/73/30/1371087330.db2.gz JRWLRFCQHVEJIX-SFTDATJTSA-N 2 1 329.532 3.350 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206548499 1371090705 /nfs/dbraw/zinc/09/07/05/1371090705.db2.gz PYKBMZUENRYYIF-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)C1 ZINC001206572636 1371096560 /nfs/dbraw/zinc/09/65/60/1371096560.db2.gz FOEVQKOCHISXTO-GOSISDBHSA-N 2 1 332.879 3.477 20 0 EGADMP COc1cc(C)ccc1C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001206748393 1371153304 /nfs/dbraw/zinc/15/33/04/1371153304.db2.gz HIQQVVQKZMFEDL-UHFFFAOYSA-N 2 1 325.456 3.446 20 0 EGADMP COc1cc(OC)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c2ccccc12 ZINC001206810808 1371176785 /nfs/dbraw/zinc/17/67/85/1371176785.db2.gz PSPOOLWZRPDOEC-HUUCEWRRSA-N 2 1 328.456 3.416 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]Cc2ccc(C)cc2)CC1 ZINC001206886353 1371208066 /nfs/dbraw/zinc/20/80/66/1371208066.db2.gz HCJWZZDWBKXXGG-UHFFFAOYSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]Cc2ccccc2C)CC1 ZINC001206889268 1371208643 /nfs/dbraw/zinc/20/86/43/1371208643.db2.gz IUJNWKBRFDAVFR-UHFFFAOYSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2C)CC1 ZINC001206890349 1371209975 /nfs/dbraw/zinc/20/99/75/1371209975.db2.gz NFNBGEDMFDNVAG-GOSISDBHSA-N 2 1 345.531 3.226 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001206974589 1371254266 /nfs/dbraw/zinc/25/42/66/1371254266.db2.gz JMSRIFGWZTVPCN-WSTZPKSXSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001206974589 1371254272 /nfs/dbraw/zinc/25/42/72/1371254272.db2.gz JMSRIFGWZTVPCN-WSTZPKSXSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001206974589 1371254276 /nfs/dbraw/zinc/25/42/76/1371254276.db2.gz JMSRIFGWZTVPCN-WSTZPKSXSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC[C@@]1(C)O ZINC001207287642 1371351578 /nfs/dbraw/zinc/35/15/78/1371351578.db2.gz VJWKWYBOBKNBCV-GHTZIAJQSA-N 2 1 330.516 3.382 20 0 EGADMP COC(=O)[C@H]1C[C@@H](C)C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207290680 1371352314 /nfs/dbraw/zinc/35/23/14/1371352314.db2.gz AQZOIQNPJCBCCR-XLIONFOSSA-N 2 1 344.499 3.030 20 0 EGADMP COC(=O)[C@@H]1C[C@H](C)C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207290676 1371352320 /nfs/dbraw/zinc/35/23/20/1371352320.db2.gz AQZOIQNPJCBCCR-FXAWDEMLSA-N 2 1 344.499 3.030 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@H](N4CCCC4)C3)CC2)cc1 ZINC001207290400 1371353024 /nfs/dbraw/zinc/35/30/24/1371353024.db2.gz BHFWREKTYVEIIL-NRFANRHFSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CCC(CN3CC[C@H]([NH+]4CCCC4)C3)CC2)cc1 ZINC001207290400 1371353029 /nfs/dbraw/zinc/35/30/29/1371353029.db2.gz BHFWREKTYVEIIL-NRFANRHFSA-N 2 1 327.516 3.069 20 0 EGADMP CCOC(=O)[C@H]1CCCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207292144 1371353189 /nfs/dbraw/zinc/35/31/89/1371353189.db2.gz LCMDWUYALDEGSW-HXUWFJFHSA-N 2 1 344.499 3.316 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](CCc3ccc(Br)cc3)C2)CC1 ZINC001207386025 1371381717 /nfs/dbraw/zinc/38/17/17/1371381717.db2.gz QZPNQOUCNUCZEL-UHFFFAOYSA-N 2 1 337.305 3.409 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)CC1 ZINC001207396523 1371384249 /nfs/dbraw/zinc/38/42/49/1371384249.db2.gz KIUVHTRHKGUCJV-LEWJYISDSA-N 2 1 328.500 3.367 20 0 EGADMP CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)[N@H+]1CC1CC[NH+](C)CC1 ZINC001207401528 1371385905 /nfs/dbraw/zinc/38/59/05/1371385905.db2.gz ORIBNYPRNNJWTL-WOJBJXKFSA-N 2 1 344.499 3.487 20 0 EGADMP Cn1ccnc1C[C@@H]1CCC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC001119691117 1371388920 /nfs/dbraw/zinc/38/89/20/1371388920.db2.gz GJQURCXVXNGVGJ-HDYDNRTBSA-N 2 1 339.483 3.422 20 0 EGADMP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)[N@H+]1CCCC[C@@H]1C ZINC001119697886 1371389568 /nfs/dbraw/zinc/38/95/68/1371389568.db2.gz CQEUCEJWQSVVMV-DLBZAZTESA-N 2 1 347.503 3.258 20 0 EGADMP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)[N@H+]1CCC[C@@H](C)C1 ZINC001119700956 1371390715 /nfs/dbraw/zinc/39/07/15/1371390715.db2.gz CHMBNASJGIRNAM-IAGOWNOFSA-N 2 1 347.503 3.116 20 0 EGADMP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207440848 1371396665 /nfs/dbraw/zinc/39/66/65/1371396665.db2.gz HMFFUUPMTGIJMF-UHFFFAOYSA-N 3 1 335.923 3.236 20 0 EGADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207440848 1371396668 /nfs/dbraw/zinc/39/66/68/1371396668.db2.gz HMFFUUPMTGIJMF-UHFFFAOYSA-N 3 1 335.923 3.236 20 0 EGADMP CC(C)(C)OC(=O)Nc1ccc2c(c1)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC001207440653 1371397093 /nfs/dbraw/zinc/39/70/93/1371397093.db2.gz BAPUXPHZCLJPJV-UHFFFAOYSA-N 2 1 345.487 3.391 20 0 EGADMP C[N@@H+](CCC1CC[NH+](C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207482586 1371409486 /nfs/dbraw/zinc/40/94/86/1371409486.db2.gz YHQMFBIMWMOAFM-KRWDZBQOSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001207487639 1371410787 /nfs/dbraw/zinc/41/07/87/1371410787.db2.gz PFSVOMBVACIETN-FGZHOGPDSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(CC[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001207487639 1371410793 /nfs/dbraw/zinc/41/07/93/1371410793.db2.gz PFSVOMBVACIETN-FGZHOGPDSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(CC[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001207487639 1371410796 /nfs/dbraw/zinc/41/07/96/1371410796.db2.gz PFSVOMBVACIETN-FGZHOGPDSA-N 2 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(CCN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001207487639 1371410802 /nfs/dbraw/zinc/41/08/02/1371410802.db2.gz PFSVOMBVACIETN-FGZHOGPDSA-N 2 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(CCN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001207487639 1371410805 /nfs/dbraw/zinc/41/08/05/1371410805.db2.gz PFSVOMBVACIETN-FGZHOGPDSA-N 2 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CC[C@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001207487827 1371411207 /nfs/dbraw/zinc/41/12/07/1371411207.db2.gz UAVJLDIKWZYTGV-JOCHJYFZSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC(CCN2CC[C@]3(CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001207487827 1371411210 /nfs/dbraw/zinc/41/12/10/1371411210.db2.gz UAVJLDIKWZYTGV-JOCHJYFZSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC(CCN2CC[C@]3(CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001207487827 1371411212 /nfs/dbraw/zinc/41/12/12/1371411212.db2.gz UAVJLDIKWZYTGV-JOCHJYFZSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3c(Cl)nc4ccccn43)C[C@H]2C1 ZINC001119990765 1371445534 /nfs/dbraw/zinc/44/55/34/1371445534.db2.gz YNEATYBWKLUPBK-RBSFLKMASA-N 2 1 332.879 3.150 20 0 EGADMP c1cc(C[N@@H+]2CCOC3(CC[NH+](C[C@@H]4C[C@H]5C=C[C@@H]4C5)CC3)C2)co1 ZINC001207620562 1371453826 /nfs/dbraw/zinc/45/38/26/1371453826.db2.gz QZQLLKIAZISTFD-SXLOBPIMSA-N 2 1 342.483 3.159 20 0 EGADMP c1cc(C[N@H+]2CCOC3(CC[NH+](C[C@@H]4C[C@H]5C=C[C@@H]4C5)CC3)C2)co1 ZINC001207620562 1371453830 /nfs/dbraw/zinc/45/38/30/1371453830.db2.gz QZQLLKIAZISTFD-SXLOBPIMSA-N 2 1 342.483 3.159 20 0 EGADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001207626226 1371456873 /nfs/dbraw/zinc/45/68/73/1371456873.db2.gz BZCNBIHSXKLMGH-HGJUEJDCSA-N 2 1 330.516 3.021 20 0 EGADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001207626226 1371456878 /nfs/dbraw/zinc/45/68/78/1371456878.db2.gz BZCNBIHSXKLMGH-HGJUEJDCSA-N 2 1 330.516 3.021 20 0 EGADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001207626226 1371456883 /nfs/dbraw/zinc/45/68/83/1371456883.db2.gz BZCNBIHSXKLMGH-HGJUEJDCSA-N 2 1 330.516 3.021 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCCCC1 ZINC001120207753 1371504067 /nfs/dbraw/zinc/50/40/67/1371504067.db2.gz DLEIMFCSWDXWQN-UHFFFAOYSA-N 2 1 349.494 3.075 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207790196 1371505404 /nfs/dbraw/zinc/50/54/04/1371505404.db2.gz MZSDXOUGILAESB-JFIYKMOQSA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001207790196 1371505406 /nfs/dbraw/zinc/50/54/06/1371505406.db2.gz MZSDXOUGILAESB-JFIYKMOQSA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001207790196 1371505412 /nfs/dbraw/zinc/50/54/12/1371505412.db2.gz MZSDXOUGILAESB-JFIYKMOQSA-N 2 1 337.552 3.122 20 0 EGADMP CCC/C=C/CC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCCC1 ZINC001120207956 1371505567 /nfs/dbraw/zinc/50/55/67/1371505567.db2.gz NZITWTBAGJDHQA-BQYQJAHWSA-N 2 1 337.552 3.482 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCC1 ZINC001120208037 1371505618 /nfs/dbraw/zinc/50/56/18/1371505618.db2.gz RMCOSHIXONTVAX-QRVBRYPASA-N 2 1 349.563 3.172 20 0 EGADMP C[C@H](C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1)c1ccccc1 ZINC001207906285 1371534744 /nfs/dbraw/zinc/53/47/44/1371534744.db2.gz MUHUHTZKLSDPCJ-GOSISDBHSA-N 2 1 338.499 3.141 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120421657 1371568182 /nfs/dbraw/zinc/56/81/82/1371568182.db2.gz BCYMNCBBKOZILL-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CCC(C)(C)C)C1 ZINC001120430914 1371573832 /nfs/dbraw/zinc/57/38/32/1371573832.db2.gz NZSGIPJMUAUWLP-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430542 1371574559 /nfs/dbraw/zinc/57/45/59/1371574559.db2.gz LOWXWMHKKMEJMQ-RLWBPELLSA-N 2 1 349.563 3.388 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CCC2CC2)C1 ZINC001120450589 1371581268 /nfs/dbraw/zinc/58/12/68/1371581268.db2.gz WUEPSAAYHSUVOL-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CCC2CC2)C1 ZINC001120450589 1371581269 /nfs/dbraw/zinc/58/12/69/1371581269.db2.gz WUEPSAAYHSUVOL-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CCC2CC2)C1 ZINC001120450589 1371581276 /nfs/dbraw/zinc/58/12/76/1371581276.db2.gz WUEPSAAYHSUVOL-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CC2CCC2)C1 ZINC001120449695 1371581755 /nfs/dbraw/zinc/58/17/55/1371581755.db2.gz OZMXJCUVSPXGMO-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC2CCC2)C1 ZINC001120449695 1371581756 /nfs/dbraw/zinc/58/17/56/1371581756.db2.gz OZMXJCUVSPXGMO-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC2CCC2)C1 ZINC001120449695 1371581758 /nfs/dbraw/zinc/58/17/58/1371581758.db2.gz OZMXJCUVSPXGMO-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001208073767 1371588386 /nfs/dbraw/zinc/58/83/86/1371588386.db2.gz OQMGZMBLQPXQFS-IRXDYDNUSA-N 2 1 348.535 3.413 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](CC4(C)CC[NH+](C)CC4)C[C@H]3C2)cc1 ZINC001208110889 1371597640 /nfs/dbraw/zinc/59/76/40/1371597640.db2.gz XBINHCJVMSTZFA-OYRHEFFESA-N 3 1 341.543 3.091 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](CC4(C)CC[NH+](C)CC4)C[C@H]3C2)cc1 ZINC001208110889 1371597645 /nfs/dbraw/zinc/59/76/45/1371597645.db2.gz XBINHCJVMSTZFA-OYRHEFFESA-N 3 1 341.543 3.091 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](CC4(C)CC[NH+](C)CC4)C[C@H]3C2)cc1 ZINC001208110889 1371597647 /nfs/dbraw/zinc/59/76/47/1371597647.db2.gz XBINHCJVMSTZFA-OYRHEFFESA-N 2 1 341.543 3.091 20 0 EGADMP Cc1ccc(CN2C[C@@H]3C[N@H+](CC4(C)CC[NH+](C)CC4)C[C@@H]3C2)cc1 ZINC001208110889 1371597651 /nfs/dbraw/zinc/59/76/51/1371597651.db2.gz XBINHCJVMSTZFA-OYRHEFFESA-N 2 1 341.543 3.091 20 0 EGADMP Cc1ccc(CN2C[C@@H]3C[N@@H+](CC4(C)CC[NH+](C)CC4)C[C@@H]3C2)cc1 ZINC001208110889 1371597656 /nfs/dbraw/zinc/59/76/56/1371597656.db2.gz XBINHCJVMSTZFA-OYRHEFFESA-N 2 1 341.543 3.091 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001208113862 1371600207 /nfs/dbraw/zinc/60/02/07/1371600207.db2.gz JCEKNBSPDJZHOI-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1ccc(C[NH+]2CCC3(CCN(CC[NH+](C)C)CC3)CC2)cc1 ZINC001208126985 1371603751 /nfs/dbraw/zinc/60/37/51/1371603751.db2.gz ZPHLWDZPSUNJNH-UHFFFAOYSA-N 2 1 329.532 3.235 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208129103 1371604513 /nfs/dbraw/zinc/60/45/13/1371604513.db2.gz OIWWBGPRWVZMSG-ZHALLVOQSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208129103 1371604515 /nfs/dbraw/zinc/60/45/15/1371604515.db2.gz OIWWBGPRWVZMSG-ZHALLVOQSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208129103 1371604517 /nfs/dbraw/zinc/60/45/17/1371604517.db2.gz OIWWBGPRWVZMSG-ZHALLVOQSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001208225549 1371663756 /nfs/dbraw/zinc/66/37/56/1371663756.db2.gz LTYMGZXMYGVSBS-HNNXBMFYSA-N 2 1 330.472 3.153 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001208280009 1371696467 /nfs/dbraw/zinc/69/64/67/1371696467.db2.gz XHODLDFIXRHPEF-PWBPZBFBSA-N 2 1 335.536 3.188 20 0 EGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001208331057 1371720555 /nfs/dbraw/zinc/72/05/55/1371720555.db2.gz KDEQJHYOPFFFFM-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208334282 1371722354 /nfs/dbraw/zinc/72/23/54/1371722354.db2.gz HQSJZEUMTAERDX-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001208454399 1371772553 /nfs/dbraw/zinc/77/25/53/1371772553.db2.gz WNASAXXWNHNOJK-IBGZPJMESA-N 2 1 345.531 3.114 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C)[NH+](CC)CC ZINC001208576028 1371824468 /nfs/dbraw/zinc/82/44/68/1371824468.db2.gz ZTIZDFKMWLJYOJ-KURKYZTESA-N 2 1 339.568 3.370 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC001208589807 1371829836 /nfs/dbraw/zinc/82/98/36/1371829836.db2.gz YWXJRVTYQBEFSO-NHCUHLMSSA-N 2 1 327.516 3.211 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001208604328 1371837400 /nfs/dbraw/zinc/83/74/00/1371837400.db2.gz LUEDZRNNOCNNTC-IRXDYDNUSA-N 2 1 333.907 3.335 20 0 EGADMP CC[N@H+](C[C@H]1CCC[NH+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001208613130 1371840630 /nfs/dbraw/zinc/84/06/30/1371840630.db2.gz PRMLWFYDLBKNBZ-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP CC[N@@H+](C[C@H]1CCC[NH+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001208613130 1371840631 /nfs/dbraw/zinc/84/06/31/1371840631.db2.gz PRMLWFYDLBKNBZ-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](C[C@H]1CCC[N@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001208613130 1371840633 /nfs/dbraw/zinc/84/06/33/1371840633.db2.gz PRMLWFYDLBKNBZ-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](C[C@H]1CCC[N@@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001208613130 1371840636 /nfs/dbraw/zinc/84/06/36/1371840636.db2.gz PRMLWFYDLBKNBZ-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CCN(C[C@H]1CCC[NH+](C)C1)CC2 ZINC001208611730 1371840673 /nfs/dbraw/zinc/84/06/73/1371840673.db2.gz XGAVHKCMRZQKIY-ICSRJNTNSA-N 2 1 345.531 3.298 20 0 EGADMP C[NH+](Cc1ccco1)[C@H]1CCC12CCN(C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001208611730 1371840674 /nfs/dbraw/zinc/84/06/74/1371840674.db2.gz XGAVHKCMRZQKIY-ICSRJNTNSA-N 2 1 345.531 3.298 20 0 EGADMP C[NH+](Cc1ccco1)[C@H]1CCC12CCN(C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001208611730 1371840675 /nfs/dbraw/zinc/84/06/75/1371840675.db2.gz XGAVHKCMRZQKIY-ICSRJNTNSA-N 2 1 345.531 3.298 20 0 EGADMP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@H]1CCC[NH+](C)C1)CC2 ZINC001208611730 1371840676 /nfs/dbraw/zinc/84/06/76/1371840676.db2.gz XGAVHKCMRZQKIY-ICSRJNTNSA-N 3 1 345.531 3.298 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@H]1CCC[NH+](C)C1)CC2 ZINC001208611730 1371840677 /nfs/dbraw/zinc/84/06/77/1371840677.db2.gz XGAVHKCMRZQKIY-ICSRJNTNSA-N 3 1 345.531 3.298 20 0 EGADMP C[NH+](Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001208611730 1371840678 /nfs/dbraw/zinc/84/06/78/1371840678.db2.gz XGAVHKCMRZQKIY-ICSRJNTNSA-N 3 1 345.531 3.298 20 0 EGADMP C[NH+](Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001208611730 1371840680 /nfs/dbraw/zinc/84/06/80/1371840680.db2.gz XGAVHKCMRZQKIY-ICSRJNTNSA-N 3 1 345.531 3.298 20 0 EGADMP CN1CCC[C@H](C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)C1 ZINC001208611730 1371840681 /nfs/dbraw/zinc/84/06/81/1371840681.db2.gz XGAVHKCMRZQKIY-ICSRJNTNSA-N 2 1 345.531 3.298 20 0 EGADMP CN1CCC[C@H](C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)C1 ZINC001208611730 1371840683 /nfs/dbraw/zinc/84/06/83/1371840683.db2.gz XGAVHKCMRZQKIY-ICSRJNTNSA-N 2 1 345.531 3.298 20 0 EGADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN(C[C@@H]2CCC[NH+](C)C2)CC1 ZINC001208619887 1371844751 /nfs/dbraw/zinc/84/47/51/1371844751.db2.gz ZBTXFOVSSUSDSV-GOSISDBHSA-N 2 1 333.495 3.064 20 0 EGADMP C[NH+](Cc1ccc(F)cc1)C1CCN(C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208619887 1371844757 /nfs/dbraw/zinc/84/47/57/1371844757.db2.gz ZBTXFOVSSUSDSV-GOSISDBHSA-N 2 1 333.495 3.064 20 0 EGADMP C[NH+](Cc1ccc(F)cc1)C1CCN(C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208619887 1371844761 /nfs/dbraw/zinc/84/47/61/1371844761.db2.gz ZBTXFOVSSUSDSV-GOSISDBHSA-N 2 1 333.495 3.064 20 0 EGADMP C[N@H+]1CCC[C@H](CN2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619083 1371845361 /nfs/dbraw/zinc/84/53/61/1371845361.db2.gz VDIBZKDGPQZATG-VXKWHMMOSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC[C@H](CN2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208619083 1371845367 /nfs/dbraw/zinc/84/53/67/1371845367.db2.gz VDIBZKDGPQZATG-VXKWHMMOSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC[C@H](CN2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208619083 1371845370 /nfs/dbraw/zinc/84/53/70/1371845370.db2.gz VDIBZKDGPQZATG-VXKWHMMOSA-N 2 1 341.543 3.316 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001121232589 1371901726 /nfs/dbraw/zinc/90/17/26/1371901726.db2.gz GCVXMPKSQCGTCB-PPDYRMFTSA-N 2 1 349.563 3.027 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001121294937 1371926168 /nfs/dbraw/zinc/92/61/68/1371926168.db2.gz ITHHOESMMIGZAG-GEUNIFFNSA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+]CCCC1CCC1)C2 ZINC001121325681 1371937516 /nfs/dbraw/zinc/93/75/16/1371937516.db2.gz KZBVOJSBVLUGIV-UHFFFAOYSA-N 2 1 349.563 3.314 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH+]4CCCC[C@@H]4C3)C2)cc1 ZINC001208936198 1371951550 /nfs/dbraw/zinc/95/15/50/1371951550.db2.gz MMPSSTAXOXICBK-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](CN3CC[N@@H+]4CCCC[C@@H]4C3)C2)cc1 ZINC001208936198 1371951555 /nfs/dbraw/zinc/95/15/55/1371951555.db2.gz MMPSSTAXOXICBK-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](CN3CC[N@H+]4CCCC[C@@H]4C3)C2)cc1 ZINC001208936198 1371951559 /nfs/dbraw/zinc/95/15/59/1371951559.db2.gz MMPSSTAXOXICBK-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP F[C@@H]1CSC2(C[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208939756 1371953327 /nfs/dbraw/zinc/95/33/27/1371953327.db2.gz IFPOMPPYFKMQHO-MSOLQXFVSA-N 2 1 334.504 3.428 20 0 EGADMP F[C@@H]1CSC2(C[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208939756 1371953331 /nfs/dbraw/zinc/95/33/31/1371953331.db2.gz IFPOMPPYFKMQHO-MSOLQXFVSA-N 2 1 334.504 3.428 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208937108 1371955153 /nfs/dbraw/zinc/95/51/53/1371955153.db2.gz REXDHJQJXTVPQT-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208937108 1371955166 /nfs/dbraw/zinc/95/51/66/1371955166.db2.gz REXDHJQJXTVPQT-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)[C@@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208937108 1371955170 /nfs/dbraw/zinc/95/51/70/1371955170.db2.gz REXDHJQJXTVPQT-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN3CC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC001208948229 1371958060 /nfs/dbraw/zinc/95/80/60/1371958060.db2.gz FRNMWZHTXYZJES-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP COC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208947445 1371958404 /nfs/dbraw/zinc/95/84/04/1371958404.db2.gz KDUMEUZMVJIZKT-UXHICEINSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)[C@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208947445 1371958409 /nfs/dbraw/zinc/95/84/09/1371958409.db2.gz KDUMEUZMVJIZKT-UXHICEINSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)[C@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208947445 1371958412 /nfs/dbraw/zinc/95/84/12/1371958412.db2.gz KDUMEUZMVJIZKT-UXHICEINSA-N 2 1 344.499 3.174 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C[C@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001208990738 1371969716 /nfs/dbraw/zinc/96/97/16/1371969716.db2.gz IXEMOKODRQEZJS-QGZVFWFLSA-N 2 1 339.524 3.048 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]CCCC(C)C)C2)C1 ZINC001209204757 1372038184 /nfs/dbraw/zinc/03/81/84/1372038184.db2.gz LISRHEZJWFQVJS-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001209250719 1372050736 /nfs/dbraw/zinc/05/07/36/1372050736.db2.gz IMVDPNTWYZTOFA-NEPBSLMDSA-N 2 1 335.536 3.044 20 0 EGADMP COC(C)(C)CC[N@H+]1C[C@@H]2CCC[C@H](N(C)Cc3ccccn3)[C@@H]2C1 ZINC001209408124 1372096880 /nfs/dbraw/zinc/09/68/80/1372096880.db2.gz ZDFHZQGCQHLJFE-SXLOBPIMSA-N 2 1 345.531 3.429 20 0 EGADMP COC(C)(C)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209408124 1372096885 /nfs/dbraw/zinc/09/68/85/1372096885.db2.gz ZDFHZQGCQHLJFE-SXLOBPIMSA-N 2 1 345.531 3.429 20 0 EGADMP COC(C)(C)CC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209408124 1372096888 /nfs/dbraw/zinc/09/68/88/1372096888.db2.gz ZDFHZQGCQHLJFE-SXLOBPIMSA-N 2 1 345.531 3.429 20 0 EGADMP COC(C)(C)CC[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209408124 1372096890 /nfs/dbraw/zinc/09/68/90/1372096890.db2.gz ZDFHZQGCQHLJFE-SXLOBPIMSA-N 2 1 345.531 3.429 20 0 EGADMP COC(C)(C)CC[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209408124 1372096894 /nfs/dbraw/zinc/09/68/94/1372096894.db2.gz ZDFHZQGCQHLJFE-SXLOBPIMSA-N 2 1 345.531 3.429 20 0 EGADMP COC(=O)CCC[N@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC001209448415 1372108342 /nfs/dbraw/zinc/10/83/42/1372108342.db2.gz QGOYAYNXKBGJTC-UHFFFAOYSA-N 2 1 332.488 3.318 20 0 EGADMP Cc1cc(N2CC[NH+](Cc3c[nH]c4ncc(Cl)cc34)CC2)cc[nH+]1 ZINC001209605928 1372150400 /nfs/dbraw/zinc/15/04/00/1372150400.db2.gz YZAXKCOLPAVCQG-UHFFFAOYSA-N 2 1 341.846 3.242 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]CCC2=CCCCC2)C1)CC(C)(C)C ZINC001209688249 1372170592 /nfs/dbraw/zinc/17/05/92/1372170592.db2.gz CCXHYVYBCQBETB-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3c[nH+]ccc3N)C[C@@H]21 ZINC001209733576 1372179276 /nfs/dbraw/zinc/17/92/76/1372179276.db2.gz FXANOMIRRYLANM-ZJOUEHCJSA-N 2 1 336.483 3.105 20 0 EGADMP Cn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c2cccnc21 ZINC001209749496 1372183990 /nfs/dbraw/zinc/18/39/90/1372183990.db2.gz ZWKOSNIDYGKLHN-KDURUIRLSA-N 2 1 346.478 3.137 20 0 EGADMP Cn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2cccnc21 ZINC001209749496 1372183991 /nfs/dbraw/zinc/18/39/91/1372183991.db2.gz ZWKOSNIDYGKLHN-KDURUIRLSA-N 2 1 346.478 3.137 20 0 EGADMP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2cccnc21 ZINC001209749496 1372183994 /nfs/dbraw/zinc/18/39/94/1372183994.db2.gz ZWKOSNIDYGKLHN-KDURUIRLSA-N 2 1 346.478 3.137 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001122249888 1372211703 /nfs/dbraw/zinc/21/17/03/1372211703.db2.gz ZZBWNZSVZVDYTL-FUSSNKQKSA-N 2 1 337.552 3.026 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209883730 1372222494 /nfs/dbraw/zinc/22/24/94/1372222494.db2.gz OKYOVKFDPAXLEU-HPFMTEOYSA-N 2 1 346.519 3.334 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H](C)F)C[C@H]1C ZINC001210237058 1372301234 /nfs/dbraw/zinc/30/12/34/1372301234.db2.gz XUINRRGXAYQJGW-KZNAEPCWSA-N 2 1 343.531 3.073 20 0 EGADMP Fc1ccc(-c2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)on2)cc1 ZINC001210262954 1372309076 /nfs/dbraw/zinc/30/90/76/1372309076.db2.gz VNJWWYDXMGZKHX-UHFFFAOYSA-N 2 1 339.374 3.029 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001210494537 1372365762 /nfs/dbraw/zinc/36/57/62/1372365762.db2.gz VWTJLHPJOODKHU-SUJSUNJESA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001210494531 1372366017 /nfs/dbraw/zinc/36/60/17/1372366017.db2.gz VWTJLHPJOODKHU-ACGJQVIASA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)c2ccccc2F)C[C@H]1C ZINC001210499373 1372366989 /nfs/dbraw/zinc/36/69/89/1372366989.db2.gz XIAJXMGOIIWKBV-JTDSTZFVSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2F)C[C@H]1C ZINC001210499373 1372366994 /nfs/dbraw/zinc/36/69/94/1372366994.db2.gz XIAJXMGOIIWKBV-JTDSTZFVSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccccc2F)C[C@H]1C ZINC001210499373 1372366998 /nfs/dbraw/zinc/36/69/98/1372366998.db2.gz XIAJXMGOIIWKBV-JTDSTZFVSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001210796408 1372428374 /nfs/dbraw/zinc/42/83/74/1372428374.db2.gz FXVZERXVIBCBPX-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001210797524 1372428536 /nfs/dbraw/zinc/42/85/36/1372428536.db2.gz UCTVCAYWCNXOGN-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP C[NH2+][C@@H](C)CCN[C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC001326473794 1388206714 /nfs/dbraw/zinc/20/67/14/1388206714.db2.gz OAKGGFGOJSDNHR-IRXDYDNUSA-N 2 1 333.520 3.330 20 0 EGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC001326539038 1388232594 /nfs/dbraw/zinc/23/25/94/1388232594.db2.gz IYUYKRARIXCFJV-NQIIRXRSSA-N 2 1 338.499 3.001 20 0 EGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc2n(n1)CCC2 ZINC001326539038 1388232601 /nfs/dbraw/zinc/23/26/01/1388232601.db2.gz IYUYKRARIXCFJV-NQIIRXRSSA-N 2 1 338.499 3.001 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001214990588 1373152403 /nfs/dbraw/zinc/15/24/03/1373152403.db2.gz XAWOWQHOEMLZNI-RVKKMQEKSA-N 2 1 349.494 3.054 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001215004022 1373154524 /nfs/dbraw/zinc/15/45/24/1373154524.db2.gz PZPZIEQZUXQYNS-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCCF)C1 ZINC001215972872 1373252866 /nfs/dbraw/zinc/25/28/66/1373252866.db2.gz AMTSFNCRLIWQCC-QZTJIDSGSA-N 2 1 343.531 3.075 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C)c1ccc(F)cc1 ZINC001216851696 1373351656 /nfs/dbraw/zinc/35/16/56/1373351656.db2.gz GKNBVIKIHIHWRS-AYOQOUSVSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CCC2CCCCCC2)C1 ZINC001129328768 1373372598 /nfs/dbraw/zinc/37/25/98/1373372598.db2.gz STXKUQHVGVVIGR-IBGZPJMESA-N 2 1 337.552 3.031 20 0 EGADMP CCCc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001129421942 1373382138 /nfs/dbraw/zinc/38/21/38/1373382138.db2.gz DSSWZUZBHABSPB-FQEVSTJZSA-N 2 1 345.531 3.108 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188190545 1388261456 /nfs/dbraw/zinc/26/14/56/1388261456.db2.gz ZRBADQCOODMCGP-XUVXKRRUSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188190545 1388261457 /nfs/dbraw/zinc/26/14/57/1388261457.db2.gz ZRBADQCOODMCGP-XUVXKRRUSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188190545 1388261458 /nfs/dbraw/zinc/26/14/58/1388261458.db2.gz ZRBADQCOODMCGP-XUVXKRRUSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CC[C@@H](c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)[NH2+]C1 ZINC001217704242 1373491077 /nfs/dbraw/zinc/49/10/77/1373491077.db2.gz ZENZOLYHVLLXQQ-PVAVHDDUSA-N 2 1 326.444 3.120 20 0 EGADMP C[C@@H]1CC[C@@H](c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)[NH2+]C1 ZINC001217704242 1373491078 /nfs/dbraw/zinc/49/10/78/1373491078.db2.gz ZENZOLYHVLLXQQ-PVAVHDDUSA-N 2 1 326.444 3.120 20 0 EGADMP C[NH2+][C@H](CC(C)C)c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217715026 1373494050 /nfs/dbraw/zinc/49/40/50/1373494050.db2.gz QYLINXPPMZPOHT-DLBZAZTESA-N 2 1 328.460 3.366 20 0 EGADMP Cc1ccc([C@@H]2C[C@@H]2c2nnc([C@@H]([NH3+])CC3CC[NH2+]CC3)o2)cc1 ZINC001217723550 1373495602 /nfs/dbraw/zinc/49/56/02/1373495602.db2.gz CJANWLOANOTPHG-ULQDDVLXSA-N 2 1 326.444 3.039 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001130427677 1373534275 /nfs/dbraw/zinc/53/42/75/1373534275.db2.gz RKTMPNFFZRVLNG-UHFFFAOYSA-N 2 1 339.568 3.275 20 0 EGADMP C[N@@H+](CCC(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1)Cc1ccccc1 ZINC001218996684 1373676340 /nfs/dbraw/zinc/67/63/40/1373676340.db2.gz MQXJWNVQZNTONI-IBGZPJMESA-N 2 1 337.467 3.224 20 0 EGADMP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC001219349729 1373702679 /nfs/dbraw/zinc/70/26/79/1373702679.db2.gz WRGDHTXGZMCPLS-IBGZPJMESA-N 2 1 337.467 3.304 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001326760333 1388301446 /nfs/dbraw/zinc/30/14/46/1388301446.db2.gz PSRGTVZKUVUKQU-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CCCCCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001223163907 1375033843 /nfs/dbraw/zinc/03/38/43/1375033843.db2.gz ATERRNUTPBXXJI-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](OCCC[NH+]4CCCC4)[C@H]3C2)cc1 ZINC001224746370 1375073996 /nfs/dbraw/zinc/07/39/96/1375073996.db2.gz APQZZUDVHCYKRX-PCCBWWKXSA-N 2 1 328.500 3.400 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC1CC[NH+](CCC2CC2)CC1 ZINC001224746304 1375074287 /nfs/dbraw/zinc/07/42/87/1375074287.db2.gz QIBARMPWWYJURZ-UHFFFAOYSA-N 2 1 346.519 3.025 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC[NH+](CC[C@@H](C)F)CC1 ZINC001224884691 1375082111 /nfs/dbraw/zinc/08/21/11/1375082111.db2.gz YWJDEFJDODRZAL-QGZVFWFLSA-N 2 1 343.531 3.075 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001225245133 1375099419 /nfs/dbraw/zinc/09/94/19/1375099419.db2.gz POOBKFSYGMDWRN-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CC1CC2(CCC2)C1 ZINC001132105906 1375151161 /nfs/dbraw/zinc/15/11/61/1375151161.db2.gz OGIKFQNWIBVCAY-WMZOPIPTSA-N 2 1 347.547 3.020 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132128168 1375160953 /nfs/dbraw/zinc/16/09/53/1375160953.db2.gz JNCDQCPSOHFFSZ-RBUKOAKNSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132140820 1375167125 /nfs/dbraw/zinc/16/71/25/1375167125.db2.gz LELLGYQIMQWKGC-IRXDYDNUSA-N 2 1 337.552 3.409 20 0 EGADMP CCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132140820 1375167127 /nfs/dbraw/zinc/16/71/27/1375167127.db2.gz LELLGYQIMQWKGC-IRXDYDNUSA-N 2 1 337.552 3.409 20 0 EGADMP CCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132140820 1375167131 /nfs/dbraw/zinc/16/71/31/1375167131.db2.gz LELLGYQIMQWKGC-IRXDYDNUSA-N 2 1 337.552 3.409 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](CCCC(C)C)C1 ZINC001132154278 1375174295 /nfs/dbraw/zinc/17/42/95/1375174295.db2.gz YCMLXOWMQWSOMZ-IRXDYDNUSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CCCC(C)C)C1 ZINC001132154278 1375174297 /nfs/dbraw/zinc/17/42/97/1375174297.db2.gz YCMLXOWMQWSOMZ-IRXDYDNUSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC(C)C)C1 ZINC001132154278 1375174298 /nfs/dbraw/zinc/17/42/98/1375174298.db2.gz YCMLXOWMQWSOMZ-IRXDYDNUSA-N 2 1 325.541 3.122 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CCC1CCCCC1 ZINC001132265498 1375254110 /nfs/dbraw/zinc/25/41/10/1375254110.db2.gz NVNDZWXHUDUGTI-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CCC1CCCCC1 ZINC001132265497 1375254270 /nfs/dbraw/zinc/25/42/70/1375254270.db2.gz NVNDZWXHUDUGTI-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132265578 1375254433 /nfs/dbraw/zinc/25/44/33/1375254433.db2.gz PAZBNXXRWRRUTN-LOYZYROESA-N 2 1 335.536 3.044 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CC1CCCCCC1 ZINC001132270992 1375258821 /nfs/dbraw/zinc/25/88/21/1375258821.db2.gz YKWQJHFMUFYKOQ-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCc1ccc(C[N@H+]2C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]2C)cc1 ZINC001132374961 1375336590 /nfs/dbraw/zinc/33/65/90/1375336590.db2.gz BHKONFXBFXISNM-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001132416897 1375364346 /nfs/dbraw/zinc/36/43/46/1375364346.db2.gz ODLQPARSUYQBSB-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CC(C)(C)C2)C1 ZINC001132435781 1375379652 /nfs/dbraw/zinc/37/96/52/1375379652.db2.gz GTKVANBBMYCVPZ-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CC(C)(C)C2)C1 ZINC001132435781 1375379656 /nfs/dbraw/zinc/37/96/56/1375379656.db2.gz GTKVANBBMYCVPZ-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CC(C)(C)C2)C1 ZINC001132435781 1375379660 /nfs/dbraw/zinc/37/96/60/1375379660.db2.gz GTKVANBBMYCVPZ-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC(C)(C)C)C1 ZINC001132435083 1375379738 /nfs/dbraw/zinc/37/97/38/1375379738.db2.gz AXGUCSWTYIVSKI-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001132435083 1375379742 /nfs/dbraw/zinc/37/97/42/1375379742.db2.gz AXGUCSWTYIVSKI-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC(C)(C)C)C1 ZINC001132435083 1375379745 /nfs/dbraw/zinc/37/97/45/1375379745.db2.gz AXGUCSWTYIVSKI-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1C ZINC001327089654 1388375194 /nfs/dbraw/zinc/37/51/94/1388375194.db2.gz KZACZPZKVVKFCV-QGZVFWFLSA-N 2 1 329.488 3.096 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)CC ZINC001227150643 1375398088 /nfs/dbraw/zinc/39/80/88/1375398088.db2.gz XAQRNBIQBQQIML-IAGOWNOFSA-N 2 1 325.541 3.170 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132492114 1375423589 /nfs/dbraw/zinc/42/35/89/1375423589.db2.gz CKVSQKYAMOPWPC-OALUTQOASA-N 2 1 337.552 3.412 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[N@H+]1CC1CCCC1 ZINC001132492097 1375423875 /nfs/dbraw/zinc/42/38/75/1375423875.db2.gz CEAMGIOCSZEPDH-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1CC[NH+](CCC(C)C)CC1 ZINC001227464618 1375433141 /nfs/dbraw/zinc/43/31/41/1375433141.db2.gz OBEZRILGKTULPC-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1CC[NH+](C[C@@H](C)CC)CC1 ZINC001227464418 1375433289 /nfs/dbraw/zinc/43/32/89/1375433289.db2.gz IMERBAUQPBFKSP-HOTGVXAUSA-N 2 1 334.508 3.023 20 0 EGADMP Cc1ccc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132517415 1375435681 /nfs/dbraw/zinc/43/56/81/1375435681.db2.gz CBYNOUQYUZMERV-ICSRJNTNSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132517415 1375435683 /nfs/dbraw/zinc/43/56/83/1375435683.db2.gz CBYNOUQYUZMERV-ICSRJNTNSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C)c(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132517415 1375435684 /nfs/dbraw/zinc/43/56/84/1375435684.db2.gz CBYNOUQYUZMERV-ICSRJNTNSA-N 2 1 345.531 3.113 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CC1CCCCC1 ZINC001132517313 1375436097 /nfs/dbraw/zinc/43/60/97/1375436097.db2.gz AUGFWGXEEZUZAW-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132518750 1375437178 /nfs/dbraw/zinc/43/71/78/1375437178.db2.gz NSIOZAYNONHHNP-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001132518750 1375437180 /nfs/dbraw/zinc/43/71/80/1375437180.db2.gz NSIOZAYNONHHNP-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001132518750 1375437182 /nfs/dbraw/zinc/43/71/82/1375437182.db2.gz NSIOZAYNONHHNP-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548487 1375454133 /nfs/dbraw/zinc/45/41/33/1375454133.db2.gz DOSMGPIYCARJPA-OALUTQOASA-N 2 1 337.552 3.412 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCc2cnc[nH]2)CC1 ZINC001227705394 1375464220 /nfs/dbraw/zinc/46/42/20/1375464220.db2.gz GCECWVGEYUXSRY-LJQANCHMSA-N 2 1 340.471 3.074 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001228053341 1375512662 /nfs/dbraw/zinc/51/26/62/1375512662.db2.gz DNOKHLRKAPTXQF-FMIVXFBMSA-N 2 1 343.515 3.011 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001132936901 1375657049 /nfs/dbraw/zinc/65/70/49/1375657049.db2.gz FEZCLTHVYWOCFE-PKOBYXMFSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](CCCC(C)(C)C)CC2)CC[N@H+]1C ZINC001228852804 1375694147 /nfs/dbraw/zinc/69/41/47/1375694147.db2.gz KBEJXQZURGFEME-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133224825 1375853165 /nfs/dbraw/zinc/85/31/65/1375853165.db2.gz FCRZORNOVBHIEC-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CCC(=O)C1(c2cccc(O[C@H]3CCC[N@@H+](C)C3)c2)CC[NH+](C)CC1 ZINC001229733657 1375883222 /nfs/dbraw/zinc/88/32/22/1375883222.db2.gz NHIYBIDAQDBJOJ-IBGZPJMESA-N 2 1 344.499 3.102 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NC1CC[NH+](CC2CCC2)CC1)c1ccccc1 ZINC001230017470 1375932009 /nfs/dbraw/zinc/93/20/09/1375932009.db2.gz WNGXXTZURQWZLL-HXUWFJFHSA-N 2 1 343.515 3.060 20 0 EGADMP Nc1[nH]c2ccc(O[C@H]3CCC[N@@H+](Cc4ccccc4F)C3)cc2[nH+]1 ZINC001230516161 1376049210 /nfs/dbraw/zinc/04/92/10/1376049210.db2.gz OTYGEZHYONSTOC-HNNXBMFYSA-N 2 1 340.402 3.328 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592178 1376089986 /nfs/dbraw/zinc/08/99/86/1376089986.db2.gz UFDWAYRKEJYTFE-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001230618434 1376104078 /nfs/dbraw/zinc/10/40/78/1376104078.db2.gz OCGXWNVKNAONGX-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@@]12CC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232011589 1376381625 /nfs/dbraw/zinc/38/16/25/1376381625.db2.gz GRGKYEBEGMDWGQ-LJQANCHMSA-N 2 1 342.443 3.148 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc(N)nc1)CC2 ZINC001232366672 1376450396 /nfs/dbraw/zinc/45/03/96/1376450396.db2.gz XHIGTCRXDKFKSX-SFHVURJKSA-N 2 1 340.471 3.133 20 0 EGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc(C)c1Br ZINC001232520468 1376474953 /nfs/dbraw/zinc/47/49/53/1376474953.db2.gz KAUJRXIWHXXQGW-CVEARBPZSA-N 2 1 337.305 3.449 20 0 EGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc(C)c1Br ZINC001232520468 1376474956 /nfs/dbraw/zinc/47/49/56/1376474956.db2.gz KAUJRXIWHXXQGW-CVEARBPZSA-N 2 1 337.305 3.449 20 0 EGADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc(C)c1Br ZINC001232520468 1376474961 /nfs/dbraw/zinc/47/49/61/1376474961.db2.gz KAUJRXIWHXXQGW-CVEARBPZSA-N 2 1 337.305 3.449 20 0 EGADMP COc1cccc(C)c1C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001232620332 1376490103 /nfs/dbraw/zinc/49/01/03/1376490103.db2.gz LJCLYAQFSGEGPN-UHFFFAOYSA-N 2 1 325.456 3.446 20 0 EGADMP CNc1ccccc1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001232669075 1376497197 /nfs/dbraw/zinc/49/71/97/1376497197.db2.gz SWFUAMUKUNOXOG-IRXDYDNUSA-N 2 1 327.497 3.354 20 0 EGADMP COCOc1cccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c1 ZINC001233280639 1376601971 /nfs/dbraw/zinc/60/19/71/1376601971.db2.gz XPBUUTQQYYGWMH-UHFFFAOYSA-N 2 1 341.455 3.112 20 0 EGADMP CCc1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134606760 1376620934 /nfs/dbraw/zinc/62/09/34/1376620934.db2.gz ALYFJFODUXXOQQ-SJORKVTESA-N 2 1 345.531 3.106 20 0 EGADMP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)cc1C ZINC001134612413 1376624926 /nfs/dbraw/zinc/62/49/26/1376624926.db2.gz MDQJBFZXTGFHBI-ZWKOTPCHSA-N 2 1 345.531 3.161 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+]CC1CCC2(CC2)CC1 ZINC001134723392 1376678610 /nfs/dbraw/zinc/67/86/10/1376678610.db2.gz HBCSMPISZASWIE-UHFFFAOYSA-N 2 1 346.519 3.073 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001134726601 1376679878 /nfs/dbraw/zinc/67/98/78/1376679878.db2.gz ZYMCSTNCPXGHTJ-OAHLLOKOSA-N 2 1 346.450 3.003 20 0 EGADMP CN(CCC[N@@H+](C)C/C=C\Cl)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001327239360 1388459400 /nfs/dbraw/zinc/45/94/00/1388459400.db2.gz NEMSDPGUMGZYPA-WQLSENKSSA-N 2 1 343.943 3.031 20 0 EGADMP FC(F)(F)c1cccc(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1Cl ZINC001235035236 1376832478 /nfs/dbraw/zinc/83/24/78/1376832478.db2.gz DSUJLQHVJMUMAW-BXUZGUMPSA-N 2 1 348.796 3.169 20 0 EGADMP FC(F)(F)c1cccc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1Cl ZINC001235035236 1376832483 /nfs/dbraw/zinc/83/24/83/1376832483.db2.gz DSUJLQHVJMUMAW-BXUZGUMPSA-N 2 1 348.796 3.169 20 0 EGADMP CCOc1ccc2ccccc2c1C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235036861 1376836615 /nfs/dbraw/zinc/83/66/15/1376836615.db2.gz OFOCTJMLVUHFGM-DYESRHJHSA-N 2 1 340.467 3.049 20 0 EGADMP Clc1ccn2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235430405 1376872628 /nfs/dbraw/zinc/87/26/28/1376872628.db2.gz XDRRRNFKCYEFHO-HUUCEWRRSA-N 2 1 332.879 3.199 20 0 EGADMP Cc1cc(Br)c(F)cc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236227054 1376943388 /nfs/dbraw/zinc/94/33/88/1376943388.db2.gz YKRGTOMRYGEZFI-UHFFFAOYSA-N 2 1 329.257 3.471 20 0 EGADMP CCC[N@@H+](Cc1ccc(OCc2ccccc2)cn1)C[C@H]1CC[NH2+]C1 ZINC001236844337 1376965497 /nfs/dbraw/zinc/96/54/97/1376965497.db2.gz UFRMTONAYWJHSC-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP CCC[N@H+](Cc1ccc(OCc2ccccc2)cn1)C[C@H]1CC[NH2+]C1 ZINC001236844337 1376965502 /nfs/dbraw/zinc/96/55/02/1376965502.db2.gz UFRMTONAYWJHSC-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP Cc1cnc(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)nc1 ZINC001237804455 1376987592 /nfs/dbraw/zinc/98/75/92/1376987592.db2.gz UZESTAYKFQEVFA-GOSISDBHSA-N 2 1 340.471 3.255 20 0 EGADMP Cc1cnc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)nc1 ZINC001237804455 1376987598 /nfs/dbraw/zinc/98/75/98/1376987598.db2.gz UZESTAYKFQEVFA-GOSISDBHSA-N 2 1 340.471 3.255 20 0 EGADMP CC[C@@H]1CC([N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)C[C@@H](CC)[NH2+]1 ZINC001246542650 1377052068 /nfs/dbraw/zinc/05/20/68/1377052068.db2.gz WPFCHHZHVJBBKJ-IIAWOOMASA-N 2 1 326.481 3.322 20 0 EGADMP CC[C@@H]1CC([N@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)C[C@@H](CC)[NH2+]1 ZINC001246542650 1377052071 /nfs/dbraw/zinc/05/20/71/1377052071.db2.gz WPFCHHZHVJBBKJ-IIAWOOMASA-N 2 1 326.481 3.322 20 0 EGADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246722088 1377053495 /nfs/dbraw/zinc/05/34/95/1377053495.db2.gz GXVFWTHEHVXXQF-XSYGEPLQSA-N 2 1 329.488 3.093 20 0 EGADMP CCCC[C@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246749141 1377054574 /nfs/dbraw/zinc/05/45/74/1377054574.db2.gz VIFRBOWKESETNH-UOVPBQLFSA-N 2 1 347.528 3.239 20 0 EGADMP Fc1ccc(CN2CCC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC001246822058 1377055029 /nfs/dbraw/zinc/05/50/29/1377055029.db2.gz LXROZHDQVFEVPD-HXUWFJFHSA-N 2 1 345.506 3.256 20 0 EGADMP Clc1ccc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1 ZINC001247908321 1377065375 /nfs/dbraw/zinc/06/53/75/1377065375.db2.gz YHPGBASSAUWNCE-CQSZACIVSA-N 2 1 346.862 3.321 20 0 EGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cncn2Cc2cccc(Cl)c2)CC1 ZINC001254510024 1377105905 /nfs/dbraw/zinc/10/59/05/1377105905.db2.gz LKTDGMKTOCVICD-QGZVFWFLSA-N 2 1 332.879 3.159 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cncn2Cc2cccc(Cl)c2)CC1 ZINC001254510024 1377105907 /nfs/dbraw/zinc/10/59/07/1377105907.db2.gz LKTDGMKTOCVICD-QGZVFWFLSA-N 2 1 332.879 3.159 20 0 EGADMP CC[N@@H+]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[NH+](C)CC1 ZINC001254530077 1377106989 /nfs/dbraw/zinc/10/69/89/1377106989.db2.gz UPMFWLMHGNUQGE-IAGOWNOFSA-N 2 1 339.524 3.192 20 0 EGADMP CC[NH+]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254530077 1377106990 /nfs/dbraw/zinc/10/69/90/1377106990.db2.gz UPMFWLMHGNUQGE-IAGOWNOFSA-N 2 1 339.524 3.192 20 0 EGADMP CC[NH+]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254530077 1377106992 /nfs/dbraw/zinc/10/69/92/1377106992.db2.gz UPMFWLMHGNUQGE-IAGOWNOFSA-N 2 1 339.524 3.192 20 0 EGADMP C[N@H+]1CCC[C@H](N2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526682 1377107405 /nfs/dbraw/zinc/10/74/05/1377107405.db2.gz STROCVWABRHPKW-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@H](N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001254526682 1377107408 /nfs/dbraw/zinc/10/74/08/1377107408.db2.gz STROCVWABRHPKW-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@H](N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001254526682 1377107410 /nfs/dbraw/zinc/10/74/10/1377107410.db2.gz STROCVWABRHPKW-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP CCC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135468704 1377108360 /nfs/dbraw/zinc/10/83/60/1377108360.db2.gz SFJNNLHMTRMSFV-GNBGVQPESA-N 2 1 337.552 3.338 20 0 EGADMP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481227 1377114093 /nfs/dbraw/zinc/11/40/93/1377114093.db2.gz ROTFXWSJYQKVEJ-OALUTQOASA-N 2 1 347.547 3.224 20 0 EGADMP CCC[NH+](CCC)CC[NH2+][C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258569569 1377117989 /nfs/dbraw/zinc/11/79/89/1377117989.db2.gz ZAJFYWFQSMKOHZ-HXUWFJFHSA-N 2 1 345.531 3.279 20 0 EGADMP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135585959 1377155589 /nfs/dbraw/zinc/15/55/89/1377155589.db2.gz VDHRHUWMJGCVIA-DLBZAZTESA-N 2 1 336.524 3.460 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1 ZINC001135678442 1377181378 /nfs/dbraw/zinc/18/13/78/1377181378.db2.gz FIXFVPJCDYZKKV-IAGOWNOFSA-N 2 1 342.487 3.045 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CC1 ZINC001135690176 1377184398 /nfs/dbraw/zinc/18/43/98/1377184398.db2.gz FMEDCQQUBNSJHH-IRXDYDNUSA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001266224659 1377235824 /nfs/dbraw/zinc/23/58/24/1377235824.db2.gz BZWQGYJGQDUXPA-KRWDZBQOSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001266224659 1377235827 /nfs/dbraw/zinc/23/58/27/1377235827.db2.gz BZWQGYJGQDUXPA-KRWDZBQOSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001266224659 1377235831 /nfs/dbraw/zinc/23/58/31/1377235831.db2.gz BZWQGYJGQDUXPA-KRWDZBQOSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001135857712 1377237235 /nfs/dbraw/zinc/23/72/35/1377237235.db2.gz MWOVWXHYDOJFPD-OLZOCXBDSA-N 2 1 345.940 3.116 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1sccc1Cl ZINC001135976994 1377284619 /nfs/dbraw/zinc/28/46/19/1377284619.db2.gz PHTAIXOPYVNAJF-CHWSQXEVSA-N 2 1 345.940 3.116 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1Cl ZINC001135975869 1377284632 /nfs/dbraw/zinc/28/46/32/1377284632.db2.gz DQYKVWRNYFCIJA-LSDHHAIUSA-N 2 1 339.911 3.055 20 0 EGADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001267071117 1377409949 /nfs/dbraw/zinc/40/99/49/1377409949.db2.gz DQBSRNHMWZUFHI-AEFFLSMTSA-N 2 1 345.531 3.045 20 0 EGADMP C[N@@H+](CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)CC(C)(C)C ZINC001137586574 1377568203 /nfs/dbraw/zinc/56/82/03/1377568203.db2.gz UDVQYWXZHNDCEF-UHFFFAOYSA-N 2 1 331.504 3.241 20 0 EGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC001137629256 1377576001 /nfs/dbraw/zinc/57/60/01/1377576001.db2.gz CPBFLMFCQZEDFZ-LJQANCHMSA-N 2 1 339.483 3.310 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC001137629256 1377576007 /nfs/dbraw/zinc/57/60/07/1377576007.db2.gz CPBFLMFCQZEDFZ-LJQANCHMSA-N 2 1 339.483 3.310 20 0 EGADMP Clc1ncsc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001137817164 1377621808 /nfs/dbraw/zinc/62/18/08/1377621808.db2.gz FQDGNOMYQXSHNO-UHFFFAOYSA-N 2 1 343.924 3.121 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](C)C1CCN(C)CC1 ZINC001138500553 1377733659 /nfs/dbraw/zinc/73/36/59/1377733659.db2.gz AIJZRCOPUKVRKX-UHFFFAOYSA-N 2 1 326.488 3.074 20 0 EGADMP Cc1nccn1-c1ccc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001138547523 1377740047 /nfs/dbraw/zinc/74/00/47/1377740047.db2.gz NYWNCZIUORIKEL-KRWDZBQOSA-N 2 1 341.455 3.344 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001138547523 1377740050 /nfs/dbraw/zinc/74/00/50/1377740050.db2.gz NYWNCZIUORIKEL-KRWDZBQOSA-N 2 1 341.455 3.344 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001138547523 1377740052 /nfs/dbraw/zinc/74/00/52/1377740052.db2.gz NYWNCZIUORIKEL-KRWDZBQOSA-N 2 1 341.455 3.344 20 0 EGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(-n3cnc4ccccc43)cc1)C2 ZINC001138584254 1377748268 /nfs/dbraw/zinc/74/82/68/1377748268.db2.gz QMGJZALLGCBIBL-XMSQKQJNSA-N 2 1 346.478 3.409 20 0 EGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(-n3cnc4ccccc43)cc1)C2 ZINC001138584254 1377748269 /nfs/dbraw/zinc/74/82/69/1377748269.db2.gz QMGJZALLGCBIBL-XMSQKQJNSA-N 2 1 346.478 3.409 20 0 EGADMP CNc1ncccc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001138695268 1377769493 /nfs/dbraw/zinc/76/94/93/1377769493.db2.gz ZXBQMMCLSCTGRR-UYAOXDASSA-N 2 1 336.483 3.077 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCOC[C@@H]2C2CCCCC2)cc1 ZINC001138772190 1377782286 /nfs/dbraw/zinc/78/22/86/1377782286.db2.gz TVWWGNOYVJPYNA-OAQYLSRUSA-N 2 1 346.515 3.408 20 0 EGADMP COc1cccc(CC[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC001138772736 1377782384 /nfs/dbraw/zinc/78/23/84/1377782384.db2.gz ZINNGNZOZUBBHJ-UHFFFAOYSA-N 2 1 342.483 3.310 20 0 EGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(Oc4ncccn4)cc3)C[C@H]2C1 ZINC001139082888 1377826877 /nfs/dbraw/zinc/82/68/77/1377826877.db2.gz DQRRXJRWUNXNIJ-QZTJIDSGSA-N 2 1 338.455 3.043 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc5nonc5c4)C[C@@H]3C2)cc1 ZINC001139220513 1377854910 /nfs/dbraw/zinc/85/49/10/1377854910.db2.gz MISRCFLQUNEYAG-KDURUIRLSA-N 2 1 348.450 3.095 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc5nonc5c4)C[C@@H]3C2)cc1 ZINC001139220513 1377854912 /nfs/dbraw/zinc/85/49/12/1377854912.db2.gz MISRCFLQUNEYAG-KDURUIRLSA-N 2 1 348.450 3.095 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc5nonc5c4)C[C@@H]3C2)cc1 ZINC001139220513 1377854914 /nfs/dbraw/zinc/85/49/14/1377854914.db2.gz MISRCFLQUNEYAG-KDURUIRLSA-N 2 1 348.450 3.095 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc5nonc5c4)C[C@@H]3C2)cc1 ZINC001139220513 1377854916 /nfs/dbraw/zinc/85/49/16/1377854916.db2.gz MISRCFLQUNEYAG-KDURUIRLSA-N 2 1 348.450 3.095 20 0 EGADMP Nc1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)s1 ZINC001139226328 1377855928 /nfs/dbraw/zinc/85/59/28/1377855928.db2.gz QWUXQRKJQKSPOV-UHFFFAOYSA-N 2 1 348.541 3.275 20 0 EGADMP CCCC[NH+]1CCC([N@H+](C)Cc2c[nH]c3ncnc(Cl)c23)CC1 ZINC001139944172 1377980863 /nfs/dbraw/zinc/98/08/63/1377980863.db2.gz URHYDDVIJOFUDO-UHFFFAOYSA-N 2 1 335.883 3.259 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3ncnc(Cl)c23)CC1 ZINC001139944172 1377980865 /nfs/dbraw/zinc/98/08/65/1377980865.db2.gz URHYDDVIJOFUDO-UHFFFAOYSA-N 2 1 335.883 3.259 20 0 EGADMP [O-]c1cnccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001140278198 1378039041 /nfs/dbraw/zinc/03/90/41/1378039041.db2.gz OBKGFDJVEOAQFK-UHFFFAOYSA-N 2 1 337.467 3.275 20 0 EGADMP Oc1cnccc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001140278198 1378039042 /nfs/dbraw/zinc/03/90/42/1378039042.db2.gz OBKGFDJVEOAQFK-UHFFFAOYSA-N 2 1 337.467 3.275 20 0 EGADMP Oc1cnccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001140278198 1378039043 /nfs/dbraw/zinc/03/90/43/1378039043.db2.gz OBKGFDJVEOAQFK-UHFFFAOYSA-N 2 1 337.467 3.275 20 0 EGADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccncn2)CC3)c1 ZINC001140343464 1378049850 /nfs/dbraw/zinc/04/98/50/1378049850.db2.gz HMAZMRMMYNPVDX-UHFFFAOYSA-N 2 1 328.485 3.026 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH+](C)CCCC(C)(C)C ZINC001273591311 1378103950 /nfs/dbraw/zinc/10/39/50/1378103950.db2.gz NEFUCSHNHCJPRY-SFHVURJKSA-N 2 1 339.568 3.467 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CCC[N@H+](C)CCCC(C)(C)C ZINC001273591311 1378103952 /nfs/dbraw/zinc/10/39/52/1378103952.db2.gz NEFUCSHNHCJPRY-SFHVURJKSA-N 2 1 339.568 3.467 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CCCC(C)(C)C ZINC001273591311 1378103953 /nfs/dbraw/zinc/10/39/53/1378103953.db2.gz NEFUCSHNHCJPRY-SFHVURJKSA-N 2 1 339.568 3.467 20 0 EGADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnco3)C[C@H]21 ZINC001140928586 1378183245 /nfs/dbraw/zinc/18/32/45/1378183245.db2.gz UGQLOUIZEHSALQ-BMGDILEWSA-N 2 1 331.485 3.469 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnco3)C[C@H]21 ZINC001140928586 1378183250 /nfs/dbraw/zinc/18/32/50/1378183250.db2.gz UGQLOUIZEHSALQ-BMGDILEWSA-N 2 1 331.485 3.469 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cnco3)C[C@H]21 ZINC001140928586 1378183252 /nfs/dbraw/zinc/18/32/52/1378183252.db2.gz UGQLOUIZEHSALQ-BMGDILEWSA-N 2 1 331.485 3.469 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cnco3)C[C@H]21 ZINC001140928586 1378183256 /nfs/dbraw/zinc/18/32/56/1378183256.db2.gz UGQLOUIZEHSALQ-BMGDILEWSA-N 2 1 331.485 3.469 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCCc3ccccc3C2)CC1 ZINC001140974158 1378198157 /nfs/dbraw/zinc/19/81/57/1378198157.db2.gz VTBOTDIMBQPGOI-UHFFFAOYSA-N 2 1 335.495 3.387 20 0 EGADMP Cc1ncoc1CN1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001141053657 1378222498 /nfs/dbraw/zinc/22/24/98/1378222498.db2.gz LDNXBAQSBVVTMS-JRBPQWBISA-N 2 1 327.472 3.378 20 0 EGADMP CC1(C)OC[C@@H](C[N@@H+]2CCC[C@@]3(CCC[NH+](C4CCCC4)C3)C2)O1 ZINC001278066494 1378257268 /nfs/dbraw/zinc/25/72/68/1378257268.db2.gz IJDSMWAEYGVOIT-UYAOXDASSA-N 2 1 336.520 3.259 20 0 EGADMP CC1(C)OC[C@@H](C[N@H+]2CCC[C@@]3(CCC[NH+](C4CCCC4)C3)C2)O1 ZINC001278066494 1378257272 /nfs/dbraw/zinc/25/72/72/1378257272.db2.gz IJDSMWAEYGVOIT-UYAOXDASSA-N 2 1 336.520 3.259 20 0 EGADMP CC1(C)OC[C@@H](C[NH+]2CCC[C@@]3(CCC[N@@H+](C4CCCC4)C3)C2)O1 ZINC001278066494 1378257275 /nfs/dbraw/zinc/25/72/75/1378257275.db2.gz IJDSMWAEYGVOIT-UYAOXDASSA-N 2 1 336.520 3.259 20 0 EGADMP CC1(C)OC[C@@H](C[NH+]2CCC[C@@]3(CCC[N@H+](C4CCCC4)C3)C2)O1 ZINC001278066494 1378257277 /nfs/dbraw/zinc/25/72/77/1378257277.db2.gz IJDSMWAEYGVOIT-UYAOXDASSA-N 2 1 336.520 3.259 20 0 EGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OC2CCOCC2)cc1 ZINC001141410313 1378320569 /nfs/dbraw/zinc/32/05/69/1378320569.db2.gz HMUZNDKSFSPHLW-UHFFFAOYSA-N 2 1 332.488 3.162 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OC2CCOCC2)cc1 ZINC001141410313 1378320573 /nfs/dbraw/zinc/32/05/73/1378320573.db2.gz HMUZNDKSFSPHLW-UHFFFAOYSA-N 2 1 332.488 3.162 20 0 EGADMP Cc1nc[nH]c1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001141455154 1378327578 /nfs/dbraw/zinc/32/75/78/1378327578.db2.gz DVCHAYNBFUUJDG-CQSZACIVSA-N 2 1 326.444 3.131 20 0 EGADMP C[N@H+]1CC[C@]2(CCN(Cc3nccnc3-c3ccc(Cl)cc3)C2)C1 ZINC001142978376 1378520994 /nfs/dbraw/zinc/52/09/94/1378520994.db2.gz PVERCMRPKXHJKO-IBGZPJMESA-N 2 1 342.874 3.325 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)CC(C)C ZINC001144190007 1378695699 /nfs/dbraw/zinc/69/56/99/1378695699.db2.gz PYKSGTHVXLITQZ-MHORFTMASA-N 2 1 325.541 3.120 20 0 EGADMP CCc1cccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001144321523 1378716258 /nfs/dbraw/zinc/71/62/58/1378716258.db2.gz OWGHLPUJAHBSDE-UHFFFAOYSA-N 2 1 338.499 3.100 20 0 EGADMP Cc1nc(C[N@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)sc1C ZINC001144364681 1378720861 /nfs/dbraw/zinc/72/08/61/1378720861.db2.gz WFFNKAJZVSBUSY-MSOLQXFVSA-N 2 1 342.512 3.109 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3Cc2[nH+]cn3ccccc23)o1 ZINC001144618420 1378751223 /nfs/dbraw/zinc/75/12/23/1378751223.db2.gz QVUZTCHABJLWTJ-VQTJNVASSA-N 2 1 336.439 3.085 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3Cc2[nH+]cn3ccccc23)o1 ZINC001144618420 1378751224 /nfs/dbraw/zinc/75/12/24/1378751224.db2.gz QVUZTCHABJLWTJ-VQTJNVASSA-N 2 1 336.439 3.085 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001146593892 1378872878 /nfs/dbraw/zinc/87/28/78/1378872878.db2.gz RCLPMNLOWZTTRD-GJZGRUSLSA-N 2 1 347.494 3.025 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC001146718858 1378907159 /nfs/dbraw/zinc/90/71/59/1378907159.db2.gz ILJYFMKRMHXNSU-GFCCVEGCSA-N 2 1 346.302 3.102 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC001146746955 1378912078 /nfs/dbraw/zinc/91/20/78/1378912078.db2.gz PDHJSVHGDUMVCT-GFCCVEGCSA-N 2 1 346.302 3.102 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCCC(C)(C)C ZINC001147359719 1379009262 /nfs/dbraw/zinc/00/92/62/1379009262.db2.gz UOKLEVSCILUACL-KRWDZBQOSA-N 2 1 325.541 3.173 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH2+]CC1CCC(C)CC1)c1ccccc1 ZINC001147457315 1379024959 /nfs/dbraw/zinc/02/49/59/1379024959.db2.gz DVLUUCAQZITDOL-QLOJAFMTSA-N 2 1 345.531 3.212 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH2+]C[C@H](C)CC(C)C)c1ccccc1 ZINC001147458638 1379025120 /nfs/dbraw/zinc/02/51/20/1379025120.db2.gz MDVHWPJFKXJIID-IEBWSBKVSA-N 2 1 333.520 3.067 20 0 EGADMP CC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148391977 1379163898 /nfs/dbraw/zinc/16/38/98/1379163898.db2.gz ZIYSVASKOTUJQQ-VZSQWMKGSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148625550 1379228370 /nfs/dbraw/zinc/22/83/70/1379228370.db2.gz CRCLPPBMGNHLCI-SFHVURJKSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001327888902 1388617095 /nfs/dbraw/zinc/61/70/95/1388617095.db2.gz VUEVXRGWPULVIJ-IHWFROFDSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+](C)CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001327888902 1388617098 /nfs/dbraw/zinc/61/70/98/1388617098.db2.gz VUEVXRGWPULVIJ-IHWFROFDSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+](C)CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001327888902 1388617099 /nfs/dbraw/zinc/61/70/99/1388617099.db2.gz VUEVXRGWPULVIJ-IHWFROFDSA-N 2 1 343.515 3.030 20 0 EGADMP CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677629 1380113512 /nfs/dbraw/zinc/11/35/12/1380113512.db2.gz KPQIXZUIMBARNS-CQSZACIVSA-N 2 1 337.533 3.050 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC(CC)CC ZINC001153721035 1380118800 /nfs/dbraw/zinc/11/88/00/1380118800.db2.gz ROZARTOBPXDCFV-AEFFLSMTSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC(CC)CC ZINC001153721035 1380118805 /nfs/dbraw/zinc/11/88/05/1380118805.db2.gz ROZARTOBPXDCFV-AEFFLSMTSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC(CC)CC ZINC001153721035 1380118808 /nfs/dbraw/zinc/11/88/08/1380118808.db2.gz ROZARTOBPXDCFV-AEFFLSMTSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153824163 1380137695 /nfs/dbraw/zinc/13/76/95/1380137695.db2.gz NCXIJCRMDHXHFG-SJORKVTESA-N 2 1 334.508 3.167 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153824163 1380137697 /nfs/dbraw/zinc/13/76/97/1380137697.db2.gz NCXIJCRMDHXHFG-SJORKVTESA-N 2 1 334.508 3.167 20 0 EGADMP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828913 1380139161 /nfs/dbraw/zinc/13/91/61/1380139161.db2.gz RRYGHEOLTXAGTR-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CCCN(CC[NH+](CC)CC)C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001153873126 1380147706 /nfs/dbraw/zinc/14/77/06/1380147706.db2.gz MZNUNTJPOGBVLC-GOSISDBHSA-N 2 1 345.531 3.014 20 0 EGADMP CCCN(CC[NH+](CC)CC)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001153873126 1380147707 /nfs/dbraw/zinc/14/77/07/1380147707.db2.gz MZNUNTJPOGBVLC-GOSISDBHSA-N 2 1 345.531 3.014 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153879586 1380148264 /nfs/dbraw/zinc/14/82/64/1380148264.db2.gz JYPSNTWJZZWTJB-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCCC(C)C)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153879586 1380148267 /nfs/dbraw/zinc/14/82/67/1380148267.db2.gz JYPSNTWJZZWTJB-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCCC(C)C)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153879586 1380148268 /nfs/dbraw/zinc/14/82/68/1380148268.db2.gz JYPSNTWJZZWTJB-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930627 1380157256 /nfs/dbraw/zinc/15/72/56/1380157256.db2.gz UPOIAUZXIVPTMG-KURKYZTESA-N 2 1 327.557 3.081 20 0 EGADMP CC[N@@H+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033625 1380186987 /nfs/dbraw/zinc/18/69/87/1380186987.db2.gz GVFJECRIMZJLQS-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154033625 1380186989 /nfs/dbraw/zinc/18/69/89/1380186989.db2.gz GVFJECRIMZJLQS-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154033625 1380186990 /nfs/dbraw/zinc/18/69/90/1380186990.db2.gz GVFJECRIMZJLQS-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033934 1380187152 /nfs/dbraw/zinc/18/71/52/1380187152.db2.gz QMDKUNHSTLKJOS-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154033934 1380187153 /nfs/dbraw/zinc/18/71/53/1380187153.db2.gz QMDKUNHSTLKJOS-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154033934 1380187157 /nfs/dbraw/zinc/18/71/57/1380187157.db2.gz QMDKUNHSTLKJOS-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CCc1ccc(C)cc1 ZINC001154069629 1380197717 /nfs/dbraw/zinc/19/77/17/1380197717.db2.gz JNTXZPPRBZXSGX-GOSISDBHSA-N 2 1 347.547 3.094 20 0 EGADMP CC[NH+](CCc1ccc(C)cc1)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154069629 1380197722 /nfs/dbraw/zinc/19/77/22/1380197722.db2.gz JNTXZPPRBZXSGX-GOSISDBHSA-N 2 1 347.547 3.094 20 0 EGADMP CC[NH+](CCc1ccc(C)cc1)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154069629 1380197725 /nfs/dbraw/zinc/19/77/25/1380197725.db2.gz JNTXZPPRBZXSGX-GOSISDBHSA-N 2 1 347.547 3.094 20 0 EGADMP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154903803 1380374689 /nfs/dbraw/zinc/37/46/89/1380374689.db2.gz FCJSXPFIXOIIFG-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](Nc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C1 ZINC001154987464 1380385908 /nfs/dbraw/zinc/38/59/08/1380385908.db2.gz XNJDLPPOECRRBI-MOPGFXCFSA-N 2 1 336.483 3.322 20 0 EGADMP c1ccc2c(c1)CC[N@@H+]1CCN(c3cc(N4CCCC4)cc[nH+]3)C[C@@H]21 ZINC001155094433 1380407019 /nfs/dbraw/zinc/40/70/19/1380407019.db2.gz BMSJOUQDNNRXPW-FQEVSTJZSA-N 2 1 334.467 3.101 20 0 EGADMP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244741 1380428710 /nfs/dbraw/zinc/42/87/10/1380428710.db2.gz ZWCLADFGDPHJJN-SJLPKXTDSA-N 2 1 348.535 3.161 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244741 1380428711 /nfs/dbraw/zinc/42/87/11/1380428711.db2.gz ZWCLADFGDPHJJN-SJLPKXTDSA-N 2 1 348.535 3.161 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1C(C)C)[NH+](C)C ZINC001155289177 1380434030 /nfs/dbraw/zinc/43/40/30/1380434030.db2.gz MVROSEYONYTYNF-XLIONFOSSA-N 2 1 347.547 3.477 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001155611537 1380473586 /nfs/dbraw/zinc/47/35/86/1380473586.db2.gz IDUIHKPMCBPRPE-ZSQQTYLHSA-N 2 1 337.552 3.434 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C)C(C)C ZINC001155883711 1380502474 /nfs/dbraw/zinc/50/24/74/1380502474.db2.gz BZFGQPWEQJWWSP-QZTJIDSGSA-N 2 1 327.557 3.226 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC001155997492 1380511997 /nfs/dbraw/zinc/51/19/97/1380511997.db2.gz CXLDOQHYHXUCAQ-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001155997492 1380511998 /nfs/dbraw/zinc/51/19/98/1380511998.db2.gz CXLDOQHYHXUCAQ-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001155997492 1380511999 /nfs/dbraw/zinc/51/19/99/1380511999.db2.gz CXLDOQHYHXUCAQ-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP CC[NH+](CC(C)C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001156318818 1380557270 /nfs/dbraw/zinc/55/72/70/1380557270.db2.gz IAJKPRRZGGLVSS-MJGOQNOKSA-N 2 1 333.520 3.162 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC(C)C)c1ccccc1 ZINC001156318818 1380557273 /nfs/dbraw/zinc/55/72/73/1380557273.db2.gz IAJKPRRZGGLVSS-MJGOQNOKSA-N 2 1 333.520 3.162 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC(C)C)c1ccccc1 ZINC001156318818 1380557275 /nfs/dbraw/zinc/55/72/75/1380557275.db2.gz IAJKPRRZGGLVSS-MJGOQNOKSA-N 2 1 333.520 3.162 20 0 EGADMP Cc1c[nH+]c(NCC2C[NH+](Cc3ccccc3)C2)nc1NC(C)C ZINC001156393815 1380570663 /nfs/dbraw/zinc/57/06/63/1380570663.db2.gz AZQPTUVKGLRQFF-UHFFFAOYSA-N 2 1 325.460 3.149 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428654 1380574951 /nfs/dbraw/zinc/57/49/51/1380574951.db2.gz WCWPODFZISLWHU-OAHLLOKOSA-N 2 1 346.519 3.024 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)C[C@@H](C)CC(C)C ZINC001156516973 1380587254 /nfs/dbraw/zinc/58/72/54/1380587254.db2.gz KXSRWXCOBIWSRE-ZWKOTPCHSA-N 2 1 327.557 3.227 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](C)CC(C)C ZINC001156516973 1380587256 /nfs/dbraw/zinc/58/72/56/1380587256.db2.gz KXSRWXCOBIWSRE-ZWKOTPCHSA-N 2 1 327.557 3.227 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](C)CC(C)C ZINC001156516973 1380587258 /nfs/dbraw/zinc/58/72/58/1380587258.db2.gz KXSRWXCOBIWSRE-ZWKOTPCHSA-N 2 1 327.557 3.227 20 0 EGADMP CC[N@@H+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156889714 1380719303 /nfs/dbraw/zinc/71/93/03/1380719303.db2.gz CSOLSBXBYCCNQF-IEBWSBKVSA-N 2 1 345.531 3.088 20 0 EGADMP CC[NH+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156889714 1380719307 /nfs/dbraw/zinc/71/93/07/1380719307.db2.gz CSOLSBXBYCCNQF-IEBWSBKVSA-N 2 1 345.531 3.088 20 0 EGADMP CC[NH+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156889714 1380719311 /nfs/dbraw/zinc/71/93/11/1380719311.db2.gz CSOLSBXBYCCNQF-IEBWSBKVSA-N 2 1 345.531 3.088 20 0 EGADMP CC[N@@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098569 1380775268 /nfs/dbraw/zinc/77/52/68/1380775268.db2.gz MDILUOVFIMILGC-RBUKOAKNSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](CC)CC(C)C)o1 ZINC001157241390 1380821506 /nfs/dbraw/zinc/82/15/06/1380821506.db2.gz PPANIQZXWMVSAQ-MRXNPFEDSA-N 2 1 337.508 3.218 20 0 EGADMP C[N@@H+]1CCN(C(=O)c2cccc([C@@H]3CCC[NH2+]3)c2)[C@H](c2ccccc2)C1 ZINC001157508701 1380949619 /nfs/dbraw/zinc/94/96/19/1380949619.db2.gz XBHIHIFPHBMFGH-SFTDATJTSA-N 2 1 349.478 3.240 20 0 EGADMP C[N@H+]1CCN(C(=O)c2cccc([C@@H]3CCC[NH2+]3)c2)[C@H](c2ccccc2)C1 ZINC001157508701 1380949644 /nfs/dbraw/zinc/94/96/44/1380949644.db2.gz XBHIHIFPHBMFGH-SFTDATJTSA-N 2 1 349.478 3.240 20 0 EGADMP C[N@@H+]1CCN(C(=O)c2cccc([C@H]3CCC[NH2+]3)c2)[C@@H](c2ccccc2)C1 ZINC001157508699 1380950817 /nfs/dbraw/zinc/95/08/17/1380950817.db2.gz XBHIHIFPHBMFGH-NHCUHLMSSA-N 2 1 349.478 3.240 20 0 EGADMP C[N@H+]1CCN(C(=O)c2cccc([C@H]3CCC[NH2+]3)c2)[C@@H](c2ccccc2)C1 ZINC001157508699 1380950820 /nfs/dbraw/zinc/95/08/20/1380950820.db2.gz XBHIHIFPHBMFGH-NHCUHLMSSA-N 2 1 349.478 3.240 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccc(F)cc1 ZINC001157893393 1381062928 /nfs/dbraw/zinc/06/29/28/1381062928.db2.gz FEHYVBFRJPYYIU-RTBURBONSA-N 2 1 349.494 3.246 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157893251 1381063150 /nfs/dbraw/zinc/06/31/50/1381063150.db2.gz CQDCLSOEVQALHY-FQEVSTJZSA-N 2 1 345.531 3.279 20 0 EGADMP CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001157973410 1381088323 /nfs/dbraw/zinc/08/83/23/1381088323.db2.gz AXXHAOARFYZNPG-IAGOWNOFSA-N 2 1 334.508 3.120 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001157973410 1381088333 /nfs/dbraw/zinc/08/83/33/1381088333.db2.gz AXXHAOARFYZNPG-IAGOWNOFSA-N 2 1 334.508 3.120 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C)cs1 ZINC001328253615 1388699265 /nfs/dbraw/zinc/69/92/65/1388699265.db2.gz BMLFAMXCMVDCPK-YOEHRIQHSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)C[C@@H]2C)cs1 ZINC001328253615 1388699267 /nfs/dbraw/zinc/69/92/67/1388699267.db2.gz BMLFAMXCMVDCPK-YOEHRIQHSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2CC[C@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C)cs1 ZINC001328253615 1388699271 /nfs/dbraw/zinc/69/92/71/1388699271.db2.gz BMLFAMXCMVDCPK-YOEHRIQHSA-N 2 1 349.544 3.010 20 0 EGADMP C[N@@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158329230 1381202568 /nfs/dbraw/zinc/20/25/68/1381202568.db2.gz KQNMNJUQYUCRTA-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001158329230 1381202573 /nfs/dbraw/zinc/20/25/73/1381202573.db2.gz KQNMNJUQYUCRTA-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001158329230 1381202579 /nfs/dbraw/zinc/20/25/79/1381202579.db2.gz KQNMNJUQYUCRTA-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CCCCC2)CC1 ZINC001158418837 1381239997 /nfs/dbraw/zinc/23/99/97/1381239997.db2.gz AXFFEFPSGKZCIP-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCCC2CCC2)CC1 ZINC001158418820 1381240339 /nfs/dbraw/zinc/24/03/39/1381240339.db2.gz ADDQSQHHJRSKLF-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001158491079 1381266296 /nfs/dbraw/zinc/26/62/96/1381266296.db2.gz IBYWLXJXWWIDHO-QZTJIDSGSA-N 2 1 325.541 3.220 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)C[C@H](C)CC(C)C ZINC001158625288 1381329041 /nfs/dbraw/zinc/32/90/41/1381329041.db2.gz MBRPPAHTZKPHRV-RTBURBONSA-N 2 1 339.568 3.323 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CCC1CCCC1 ZINC001158714270 1381363103 /nfs/dbraw/zinc/36/31/03/1381363103.db2.gz KEEMJEFPZDUYHT-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CCCC1 ZINC001158714270 1381363104 /nfs/dbraw/zinc/36/31/04/1381363104.db2.gz KEEMJEFPZDUYHT-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CCCC1 ZINC001158714270 1381363109 /nfs/dbraw/zinc/36/31/09/1381363109.db2.gz KEEMJEFPZDUYHT-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158914693 1381463070 /nfs/dbraw/zinc/46/30/70/1381463070.db2.gz SHQHWRJHPPSVKL-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC001158922528 1381465333 /nfs/dbraw/zinc/46/53/33/1381465333.db2.gz CADRPUGMRUUULZ-GOSISDBHSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC001158922528 1381465341 /nfs/dbraw/zinc/46/53/41/1381465341.db2.gz CADRPUGMRUUULZ-GOSISDBHSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC001158922528 1381465345 /nfs/dbraw/zinc/46/53/45/1381465345.db2.gz CADRPUGMRUUULZ-GOSISDBHSA-N 2 1 337.552 3.076 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC001328401200 1388737195 /nfs/dbraw/zinc/73/71/95/1388737195.db2.gz UQPMRFRYBSFDMN-ARFHVFGLSA-N 2 1 334.533 3.001 20 0 EGADMP c1cc2c(c(Nc3ccc(C4([NH+]5CCOCC5)CC4)cc3)c1)CC[NH2+]C2 ZINC001159547722 1381825798 /nfs/dbraw/zinc/82/57/98/1381825798.db2.gz IYZQQGOURUWZNK-UHFFFAOYSA-N 2 1 349.478 3.397 20 0 EGADMP Cc1cc(C)cc(C[NH2+]CCCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001159901954 1381932383 /nfs/dbraw/zinc/93/23/83/1381932383.db2.gz QYWAZYAAVHPURG-FQEVSTJZSA-N 2 1 345.531 3.162 20 0 EGADMP CCc1cccc(C[NH2+]CCCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001159907790 1381934007 /nfs/dbraw/zinc/93/40/07/1381934007.db2.gz CXDFESWAFVCESG-FQEVSTJZSA-N 2 1 345.531 3.108 20 0 EGADMP O=C(NCCC[NH2+]CCCC1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159910788 1381934037 /nfs/dbraw/zinc/93/40/37/1381934037.db2.gz VCTJPLYOSVRCNV-HXUWFJFHSA-N 2 1 349.563 3.460 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001160121309 1382004256 /nfs/dbraw/zinc/00/42/56/1382004256.db2.gz WJRXDEXFKDPWOC-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001160121309 1382004257 /nfs/dbraw/zinc/00/42/57/1382004257.db2.gz WJRXDEXFKDPWOC-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001160121309 1382004263 /nfs/dbraw/zinc/00/42/63/1382004263.db2.gz WJRXDEXFKDPWOC-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001160683582 1382170028 /nfs/dbraw/zinc/17/00/28/1382170028.db2.gz VJROVPGTEGRAKX-MRXNPFEDSA-N 2 1 340.471 3.132 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161007485 1382270369 /nfs/dbraw/zinc/27/03/69/1382270369.db2.gz AFFUPUUZPJUZHX-ICSRJNTNSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001161007485 1382270372 /nfs/dbraw/zinc/27/03/72/1382270372.db2.gz AFFUPUUZPJUZHX-ICSRJNTNSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001161007485 1382270375 /nfs/dbraw/zinc/27/03/75/1382270375.db2.gz AFFUPUUZPJUZHX-ICSRJNTNSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001161042362 1382280891 /nfs/dbraw/zinc/28/08/91/1382280891.db2.gz PDGXQIOWPHRWFL-YLJYHZDGSA-N 2 1 345.531 3.451 20 0 EGADMP CCC(CC)[NH+]1CCC(Nc2cc(N3CCCC3)nc(C)[nH+]2)CC1 ZINC001161095260 1382294697 /nfs/dbraw/zinc/29/46/97/1382294697.db2.gz TVBVTVXBSGFAPO-UHFFFAOYSA-N 2 1 331.508 3.450 20 0 EGADMP CC(C)[C@H](C(=O)NCCC1=CC[N@@H+](CCCC2CCC2)CC1)[NH+](C)C ZINC001161133267 1382313929 /nfs/dbraw/zinc/31/39/29/1382313929.db2.gz GGGFAEPQXIXKSG-HXUWFJFHSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161133987 1382314552 /nfs/dbraw/zinc/31/45/52/1382314552.db2.gz XCEGHBLDLRPKBC-LJQANCHMSA-N 2 1 337.552 3.291 20 0 EGADMP c1cnc(N[C@H]2CC[N@H+](CC3CCCC3)C2)c(C[NH+]2CCCC2)c1 ZINC001161187439 1382334254 /nfs/dbraw/zinc/33/42/54/1382334254.db2.gz PJXJOWCOYNZBDD-IBGZPJMESA-N 2 1 328.504 3.354 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001161205796 1382340768 /nfs/dbraw/zinc/34/07/68/1382340768.db2.gz GYHOZTIUVWXDNN-PKOBYXMFSA-N 2 1 349.563 3.149 20 0 EGADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)NCCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001161205796 1382340771 /nfs/dbraw/zinc/34/07/71/1382340771.db2.gz GYHOZTIUVWXDNN-PKOBYXMFSA-N 2 1 349.563 3.149 20 0 EGADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)NCCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001161205796 1382340775 /nfs/dbraw/zinc/34/07/75/1382340775.db2.gz GYHOZTIUVWXDNN-PKOBYXMFSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)(C)C[NH+]1CCC(Nc2nc(N3CCCCC3)cc[nH+]2)CC1 ZINC001161209089 1382342979 /nfs/dbraw/zinc/34/29/79/1382342979.db2.gz YBSGQIDVSKAIGD-UHFFFAOYSA-N 2 1 331.508 3.389 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001161213185 1382343546 /nfs/dbraw/zinc/34/35/46/1382343546.db2.gz IDGUMBDEKWDOCF-IBGZPJMESA-N 2 1 337.552 3.435 20 0 EGADMP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465178 1382416093 /nfs/dbraw/zinc/41/60/93/1382416093.db2.gz APHXNHATOSWERH-KRWDZBQOSA-N 2 1 346.519 3.156 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465178 1382416097 /nfs/dbraw/zinc/41/60/97/1382416097.db2.gz APHXNHATOSWERH-KRWDZBQOSA-N 2 1 346.519 3.156 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NCCC1=CC[N@@H+](CC(C)C)CC1)C(C)C ZINC001161491751 1382421784 /nfs/dbraw/zinc/42/17/84/1382421784.db2.gz NBWDJAFQHLCDTH-IBGZPJMESA-N 2 1 337.552 3.147 20 0 EGADMP CC[NH+](CC)CC(=O)NCCC1=CC[N@@H+](CCC2=CCCCC2)CC1 ZINC001161504389 1382424984 /nfs/dbraw/zinc/42/49/84/1382424984.db2.gz KIEIKNIFWCHSGO-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001161644946 1382468241 /nfs/dbraw/zinc/46/82/41/1382468241.db2.gz VRZWGFVQVHVPGZ-UYAOXDASSA-N 2 1 345.531 3.272 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1=CC[NH+](CCC2CCCC2)CC1 ZINC001161758453 1382496471 /nfs/dbraw/zinc/49/64/71/1382496471.db2.gz AMPYVPICMFKFQF-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001161758453 1382496474 /nfs/dbraw/zinc/49/64/74/1382496474.db2.gz AMPYVPICMFKFQF-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@@H+](CCC2CCCC2)CC1 ZINC001161758453 1382496476 /nfs/dbraw/zinc/49/64/76/1382496476.db2.gz AMPYVPICMFKFQF-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161870242 1382535066 /nfs/dbraw/zinc/53/50/66/1382535066.db2.gz XQVIFMBYALKLBH-WAYWQWQTSA-N 2 1 344.503 3.076 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161870242 1382535067 /nfs/dbraw/zinc/53/50/67/1382535067.db2.gz XQVIFMBYALKLBH-WAYWQWQTSA-N 2 1 344.503 3.076 20 0 EGADMP O=C(CCC[NH+]1CCCC1)NCCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001161930781 1382558056 /nfs/dbraw/zinc/55/80/56/1382558056.db2.gz IUSGNHAIVMXNRZ-UHFFFAOYSA-N 2 1 347.547 3.191 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H](Nc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)C1 ZINC001162396928 1382747497 /nfs/dbraw/zinc/74/74/97/1382747497.db2.gz PTEWINGYDPGYJD-INMHGKMJSA-N 3 1 327.476 3.033 20 0 EGADMP Cc1ccc2c(C)cc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)[nH+]c2c1 ZINC001163277814 1383011840 /nfs/dbraw/zinc/01/18/40/1383011840.db2.gz GVDYZHIUQXDUGR-OXQOHEQNSA-N 2 1 325.456 3.422 20 0 EGADMP c1cc2c3c([nH]c2c(NC[C@H]2CO[C@]4(C2)CCC[NH2+]C4)[nH+]1)CCCC3 ZINC001163279931 1383011962 /nfs/dbraw/zinc/01/19/62/1383011962.db2.gz PHLAYBWTWRLTNM-XOBRGWDASA-N 2 1 340.471 3.012 20 0 EGADMP c1ccc(C[N@H+]2CCc3c(ccnc3N[C@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001163386120 1383039032 /nfs/dbraw/zinc/03/90/32/1383039032.db2.gz NGEIELQCKOZTPK-NRFANRHFSA-N 2 1 348.494 3.146 20 0 EGADMP CC[C@@H]([NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC001163822190 1383125612 /nfs/dbraw/zinc/12/56/12/1383125612.db2.gz UZZKUVBAPOGDNL-RTBURBONSA-N 2 1 343.515 3.108 20 0 EGADMP CCOc1ccc2cc(NCC3([NH+](C)C)CC[NH+](C)CC3)cnc2c1 ZINC001164217280 1383167364 /nfs/dbraw/zinc/16/73/64/1383167364.db2.gz SXCFCAZKWIPKBK-UHFFFAOYSA-N 2 1 342.487 3.071 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001164456579 1383188770 /nfs/dbraw/zinc/18/87/70/1383188770.db2.gz VOEKVCWFKFDJDR-DLBZAZTESA-N 2 1 349.494 3.105 20 0 EGADMP C[C@H]1CC[C@H](C[NH3+])CN1c1[nH+]cnc2c1ccn2Cc1ccccc1 ZINC001164469295 1383189813 /nfs/dbraw/zinc/18/98/13/1383189813.db2.gz ZPKRBONTRQVKSH-DOTOQJQBSA-N 2 1 335.455 3.043 20 0 EGADMP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164514275 1383195249 /nfs/dbraw/zinc/19/52/49/1383195249.db2.gz NZULCAOQBRVZNL-LIXSYLKWSA-N 2 1 349.563 3.482 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531958 1383196986 /nfs/dbraw/zinc/19/69/86/1383196986.db2.gz YAMXUYSGIBTHRG-IFEVLTCRSA-N 2 1 347.547 3.093 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2cc(CSC)ccn2)CC1 ZINC001165112696 1383230644 /nfs/dbraw/zinc/23/06/44/1383230644.db2.gz NPKHJYQYZHQHGK-QGZVFWFLSA-N 2 1 335.517 3.024 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165473278 1383300482 /nfs/dbraw/zinc/30/04/82/1383300482.db2.gz ZGGPQGJJYGNUEE-VOFKWLDRSA-N 2 1 349.563 3.482 20 0 EGADMP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001165765072 1383342677 /nfs/dbraw/zinc/34/26/77/1383342677.db2.gz XPVQCFAHYBHTFK-XFHJGTJQSA-N 2 1 335.536 3.093 20 0 EGADMP C[C@@H]([NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC001165776307 1383343606 /nfs/dbraw/zinc/34/36/06/1383343606.db2.gz HOHUUZWLGKBPEH-IEBWSBKVSA-N 2 1 343.515 3.108 20 0 EGADMP CCCC[NH2+]CC1(CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001165892884 1383358480 /nfs/dbraw/zinc/35/84/80/1383358480.db2.gz CZKWNLFRPNZLAL-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP C[N@@H+](CC(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1)CC(C)(C)C ZINC001166744399 1383469693 /nfs/dbraw/zinc/46/96/93/1383469693.db2.gz VFWFXIJRSBDGGL-UHFFFAOYSA-N 2 1 345.531 3.138 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCCC2(C[NH2+]CCC(C)(C)C)CC2)CC[N@H+]1C ZINC001166842501 1383486485 /nfs/dbraw/zinc/48/64/85/1383486485.db2.gz KEJUEBLYOWARBG-IRXDYDNUSA-N 2 1 337.552 3.029 20 0 EGADMP Cc1cc(N(C)C)nc(NC[C@H](c2ccccc2)[NH+]2CCCC2)[nH+]1 ZINC001166889984 1383494456 /nfs/dbraw/zinc/49/44/56/1383494456.db2.gz VFJPIYPEHLIAPI-QGZVFWFLSA-N 2 1 325.460 3.100 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)[C@@H](C)c1ccccc1F ZINC001328786847 1388864041 /nfs/dbraw/zinc/86/40/41/1388864041.db2.gz RGAFCUGLAUCAFS-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@H+](C)[C@@H](C)c1ccccc1F ZINC001328786847 1388864046 /nfs/dbraw/zinc/86/40/46/1388864046.db2.gz RGAFCUGLAUCAFS-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC001328786847 1388864049 /nfs/dbraw/zinc/86/40/49/1388864049.db2.gz RGAFCUGLAUCAFS-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001167225452 1383571008 /nfs/dbraw/zinc/57/10/08/1383571008.db2.gz WETIISATAZXEQL-SFHVURJKSA-N 2 1 349.563 3.317 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001167237228 1383572796 /nfs/dbraw/zinc/57/27/96/1383572796.db2.gz XKPZMFCXLWQRKX-MJGOQNOKSA-N 2 1 349.563 3.031 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001167426644 1383631215 /nfs/dbraw/zinc/63/12/15/1383631215.db2.gz WQTVISYWNVZGLB-INIZCTEOSA-N 2 1 346.519 3.045 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001167472229 1383643092 /nfs/dbraw/zinc/64/30/92/1383643092.db2.gz VWUKZBPLVZZXKB-KRWDZBQOSA-N 2 1 342.487 3.172 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC001167475628 1383645036 /nfs/dbraw/zinc/64/50/36/1383645036.db2.gz HLRHCBBCLUYMBL-HNNXBMFYSA-N 2 1 346.450 3.003 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC001167476559 1383645518 /nfs/dbraw/zinc/64/55/18/1383645518.db2.gz ZKBVROGIZMDTFQ-KRWDZBQOSA-N 2 1 342.487 3.172 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001167627232 1383692499 /nfs/dbraw/zinc/69/24/99/1383692499.db2.gz MQCOOEMAFYROBX-KRWDZBQOSA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]C/C=C\c1ccccc1 ZINC001167626432 1383692767 /nfs/dbraw/zinc/69/27/67/1383692767.db2.gz AIXIWNXQLFXEJL-VUBAQRPUSA-N 2 1 343.515 3.059 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167685707 1383710229 /nfs/dbraw/zinc/71/02/29/1383710229.db2.gz JXXYNYZACIOHEC-BBWFWOEESA-N 2 1 339.524 3.048 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167685707 1383710231 /nfs/dbraw/zinc/71/02/31/1383710231.db2.gz JXXYNYZACIOHEC-BBWFWOEESA-N 2 1 339.524 3.048 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167685707 1383710235 /nfs/dbraw/zinc/71/02/35/1383710235.db2.gz JXXYNYZACIOHEC-BBWFWOEESA-N 2 1 339.524 3.048 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCNc1ncnc2sc3c(c21)CC[NH2+]C3 ZINC001167752686 1383730638 /nfs/dbraw/zinc/73/06/38/1383730638.db2.gz WZDFSJCULCVHNW-ZDUSSCGKSA-N 2 1 345.516 3.013 20 0 EGADMP Cc1cc(CNc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)nn1C ZINC001167765378 1383735424 /nfs/dbraw/zinc/73/54/24/1383735424.db2.gz HYOPGOWFLKLHJS-KRWDZBQOSA-N 2 1 338.459 3.005 20 0 EGADMP CCC/C=C/CC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001167812622 1383746442 /nfs/dbraw/zinc/74/64/42/1383746442.db2.gz RDKRUJUGQFGGBQ-BQYQJAHWSA-N 2 1 337.552 3.341 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001167823783 1383749476 /nfs/dbraw/zinc/74/94/76/1383749476.db2.gz ACEGULDDKAOEFP-DLBZAZTESA-N 2 1 341.540 3.438 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)N1CC[NH+](CCc2ccccc2)CC1 ZINC001167824654 1383749715 /nfs/dbraw/zinc/74/97/15/1383749715.db2.gz DNJWARBQGXBPAP-FQEVSTJZSA-N 2 1 331.548 3.357 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](Oc2cccc(OC)n2)C1 ZINC001167833766 1383752861 /nfs/dbraw/zinc/75/28/61/1383752861.db2.gz DRBQENJRQAHYQG-SJORKVTESA-N 2 1 335.492 3.054 20 0 EGADMP CCC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C1CCN(C(C)=O)CC1 ZINC001167838180 1383755828 /nfs/dbraw/zinc/75/58/28/1383755828.db2.gz RHAUCHCTSGBZDP-QGZVFWFLSA-N 2 1 325.541 3.220 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC001167838186 1383756136 /nfs/dbraw/zinc/75/61/36/1383756136.db2.gz RIRNVPNQPJCZMP-LPHOPBHVSA-N 2 1 332.488 3.097 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC001167838186 1383756138 /nfs/dbraw/zinc/75/61/38/1383756138.db2.gz RIRNVPNQPJCZMP-LPHOPBHVSA-N 2 1 332.488 3.097 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN2CCc3ccccc3[C@H]2C1 ZINC001167842902 1383757608 /nfs/dbraw/zinc/75/76/08/1383757608.db2.gz ZPEVLBNXQMEFIS-GHTZIAJQSA-N 2 1 329.532 3.412 20 0 EGADMP c1ccc(C[N@H+]2CCOC3(CC[NH+]([C@H]4C[C@H]5C[C@H]5C4)CC3)C2)cc1 ZINC001167938078 1383773364 /nfs/dbraw/zinc/77/33/64/1383773364.db2.gz DQBRXTZIYNPQHC-PMOLBWCYSA-N 2 1 326.484 3.152 20 0 EGADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@H]4C[C@H]5C[C@H]5C4)CC3)C2)cc1 ZINC001167939995 1383773467 /nfs/dbraw/zinc/77/34/67/1383773467.db2.gz KBDRYGBAPBMLAK-AERCQKQUSA-N 2 1 340.511 3.460 20 0 EGADMP C[NH+](C)C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167964612 1383780398 /nfs/dbraw/zinc/78/03/98/1383780398.db2.gz UYHSJTQPSRPJOV-OTYNDTSQSA-N 2 1 327.516 3.284 20 0 EGADMP COc1ccc(O[C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167964057 1383780948 /nfs/dbraw/zinc/78/09/48/1383780948.db2.gz MGNYKZJHPHOLJE-UXDRXVOSSA-N 2 1 344.499 3.458 20 0 EGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(NC1CC[NH+](CC3CCC3)CC1)C2 ZINC001167973401 1383782739 /nfs/dbraw/zinc/78/27/39/1383782739.db2.gz JNCOPNFUYKEMFI-SEJPIABJSA-N 2 1 331.548 3.246 20 0 EGADMP CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167988386 1383788736 /nfs/dbraw/zinc/78/87/36/1383788736.db2.gz KGDPUOANDGWBLC-SPYJTGKRSA-N 2 1 348.531 3.052 20 0 EGADMP CCO[C@@H]1CO[C@@]2(C1)CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167988386 1383788740 /nfs/dbraw/zinc/78/87/40/1383788740.db2.gz KGDPUOANDGWBLC-SPYJTGKRSA-N 2 1 348.531 3.052 20 0 EGADMP CCO[C@@H]1CO[C@@]2(C1)CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167988386 1383788741 /nfs/dbraw/zinc/78/87/41/1383788741.db2.gz KGDPUOANDGWBLC-SPYJTGKRSA-N 2 1 348.531 3.052 20 0 EGADMP C[N@H+]1CC[C@H](c2ccc(-n3cc(CC[NH3+])c4cc(O)ccc43)cc2)C1 ZINC001167990053 1383789162 /nfs/dbraw/zinc/78/91/62/1383789162.db2.gz LNQXWWBZHHHEOD-INIZCTEOSA-N 2 1 335.451 3.256 20 0 EGADMP Cc1cccc(O[C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)n1 ZINC001168002447 1383792783 /nfs/dbraw/zinc/79/27/83/1383792783.db2.gz SOUYLTIOZQBDTB-XNMUZJSGSA-N 2 1 341.499 3.249 20 0 EGADMP Cc1cccc(O[C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)n1 ZINC001168002447 1383792788 /nfs/dbraw/zinc/79/27/88/1383792788.db2.gz SOUYLTIOZQBDTB-XNMUZJSGSA-N 2 1 341.499 3.249 20 0 EGADMP Cc1cccc(O[C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)n1 ZINC001168002447 1383792790 /nfs/dbraw/zinc/79/27/90/1383792790.db2.gz SOUYLTIOZQBDTB-XNMUZJSGSA-N 2 1 341.499 3.249 20 0 EGADMP C[C@@H]1C[C@@H](N(CC[NH3+])c2cccnc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024115 1383799143 /nfs/dbraw/zinc/79/91/43/1383799143.db2.gz ZZDXBFKOEGRJPX-RMFSNUHRSA-N 2 1 338.499 3.288 20 0 EGADMP O=C(NCCC[NH2+]CC1CCC2(CC2)CC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168030367 1383799966 /nfs/dbraw/zinc/79/99/66/1383799966.db2.gz NQDGTZRTKJYKIW-OALUTQOASA-N 2 1 347.547 3.070 20 0 EGADMP CCCC[C@H]([NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)C(N)=O ZINC001168034179 1383800905 /nfs/dbraw/zinc/80/09/05/1383800905.db2.gz OFDONGZXJBAAHN-BXWFABGCSA-N 2 1 331.504 3.062 20 0 EGADMP C[C@@H]1CO[C@@H]2C[N@H+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)C[C@H]12 ZINC001168065982 1383807789 /nfs/dbraw/zinc/80/77/89/1383807789.db2.gz ZNFCWXOZCNHROY-DWMOBHETSA-N 2 1 328.500 3.395 20 0 EGADMP CC1CCC([N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)CC1 ZINC001168215413 1383845543 /nfs/dbraw/zinc/84/55/43/1383845543.db2.gz PXVKXIICLZBNRF-UHFFFAOYSA-N 2 1 330.520 3.306 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC1(C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001168346232 1383879739 /nfs/dbraw/zinc/87/97/39/1383879739.db2.gz YHWJAUUZJZFBEZ-UHFFFAOYSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001168346251 1383879954 /nfs/dbraw/zinc/87/99/54/1383879954.db2.gz YRCWJSVYPJJWIQ-MRXNPFEDSA-N 2 1 349.494 3.103 20 0 EGADMP CCOC(=O)[C@H]1C[N@H+](C2CC[NH+](CC3CC3)CC2)C[C@H]2CCCC[C@@H]12 ZINC001168378818 1383889431 /nfs/dbraw/zinc/88/94/31/1383889431.db2.gz WBOMLAHCZCJZCG-RLLQIKCJSA-N 2 1 348.531 3.162 20 0 EGADMP COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)C1CC[NH+](CC2CC2)CC1 ZINC001168387245 1383891605 /nfs/dbraw/zinc/89/16/05/1383891605.db2.gz AJTAXWWEVJFLKP-QGZVFWFLSA-N 2 1 346.515 3.407 20 0 EGADMP COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)C1CC[NH+](CC2CC2)CC1 ZINC001168387245 1383891614 /nfs/dbraw/zinc/89/16/14/1383891614.db2.gz AJTAXWWEVJFLKP-QGZVFWFLSA-N 2 1 346.515 3.407 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]3CN(C4CC[NH+](CC5CC5)CC4)C[C@H]32)cc1 ZINC001168391697 1383893247 /nfs/dbraw/zinc/89/32/47/1383893247.db2.gz NOEIMDZNPMUEFC-RBBKRZOGSA-N 2 1 339.527 3.067 20 0 EGADMP c1ccc(CN2CC[C@H]3C[N@@H+](C4CC[NH+](CC5CC5)CC4)C[C@H]32)cc1 ZINC001168391697 1383893257 /nfs/dbraw/zinc/89/32/57/1383893257.db2.gz NOEIMDZNPMUEFC-RBBKRZOGSA-N 2 1 339.527 3.067 20 0 EGADMP c1ccc(CN2CC[C@H]3C[N@H+](C4CC[NH+](CC5CC5)CC4)C[C@H]32)cc1 ZINC001168391697 1383893262 /nfs/dbraw/zinc/89/32/62/1383893262.db2.gz NOEIMDZNPMUEFC-RBBKRZOGSA-N 2 1 339.527 3.067 20 0 EGADMP C[C@@H](Cc1cccc(F)c1)[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001168483922 1383919062 /nfs/dbraw/zinc/91/90/62/1383919062.db2.gz CMZYKUWULSADKL-FFZOFVMBSA-N 2 1 339.458 3.216 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(C)cc1 ZINC001168594909 1383944692 /nfs/dbraw/zinc/94/46/92/1383944692.db2.gz DOAVIYLQFZGRGX-UHFFFAOYSA-N 2 1 333.520 3.103 20 0 EGADMP COc1ccc([C@H]2C[C@@H]([NH+]3CCC([NH+]4CCC4)CC3)CCO2)cc1 ZINC001168679299 1383967894 /nfs/dbraw/zinc/96/78/94/1383967894.db2.gz YUJYKGOGONJKBB-AZUAARDMSA-N 2 1 330.472 3.085 20 0 EGADMP CC[NH+](CC)CCC[N@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001308068879 1384084650 /nfs/dbraw/zinc/08/46/50/1384084650.db2.gz RMYBBZNPOVFNIC-MRXNPFEDSA-N 2 1 327.513 3.050 20 0 EGADMP CC[NH+](CC)CCC[N@@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001308068879 1384084654 /nfs/dbraw/zinc/08/46/54/1384084654.db2.gz RMYBBZNPOVFNIC-MRXNPFEDSA-N 2 1 327.513 3.050 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C2 ZINC001169099315 1384106711 /nfs/dbraw/zinc/10/67/11/1384106711.db2.gz PMZLEKCRXAWYCV-HHARLNAUSA-N 2 1 337.508 3.037 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccc(F)cc3F)CC1)C2 ZINC001169109036 1384108114 /nfs/dbraw/zinc/10/81/14/1384108114.db2.gz GUKVQHOMOSYOSB-LDLYASANSA-N 2 1 349.469 3.144 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=[NH2+])Cc1cccc(C(F)(F)F)c1)C2 ZINC001169110181 1384108512 /nfs/dbraw/zinc/10/85/12/1384108512.db2.gz LIWHASQUOLUGCJ-QDMKHBRRSA-N 2 1 325.378 3.440 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3c(F)cccc3F)CC1)C2 ZINC001169109467 1384108692 /nfs/dbraw/zinc/10/86/92/1384108692.db2.gz IWNXNGWJUQMJHA-BJWYYQGGSA-N 2 1 349.469 3.144 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(OCc3ccccc3F)CC1)C2 ZINC001169140204 1384112509 /nfs/dbraw/zinc/11/25/09/1384112509.db2.gz IVVDAEAKGRPUOP-PIIMJCKOSA-N 2 1 332.463 3.432 20 0 EGADMP CC(C)COc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC001308260225 1384113613 /nfs/dbraw/zinc/11/36/13/1384113613.db2.gz FVFIFDPXCRLDAZ-OAQYLSRUSA-N 2 1 346.515 3.454 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@@H]3CCC[C@@H]3[C@H]1C(=O)OC(C)(C)C)C2 ZINC001169144613 1384113893 /nfs/dbraw/zinc/11/38/93/1384113893.db2.gz KQFMLHMNPCGXAW-ARAZSQDJSA-N 2 1 334.504 3.054 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3CCC[C@@H]3[C@H]1C(=O)OC(C)(C)C)C2 ZINC001169144613 1384113895 /nfs/dbraw/zinc/11/38/95/1384113895.db2.gz KQFMLHMNPCGXAW-ARAZSQDJSA-N 2 1 334.504 3.054 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@@H]3CCC[C@@H]3[C@H]1C(=O)OC(C)(C)C)C2 ZINC001169144613 1384113897 /nfs/dbraw/zinc/11/38/97/1384113897.db2.gz KQFMLHMNPCGXAW-ARAZSQDJSA-N 2 1 334.504 3.054 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@]3(CCC[NH+]3Cc3ccccc3)C1)C2 ZINC001169156416 1384116765 /nfs/dbraw/zinc/11/67/65/1384116765.db2.gz XQPXHVVKWBOOOB-CIAFKFPVSA-N 2 1 339.527 3.352 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@]3(CCC[N@@H+]3Cc3ccccc3)C1)C2 ZINC001169156416 1384116766 /nfs/dbraw/zinc/11/67/66/1384116766.db2.gz XQPXHVVKWBOOOB-CIAFKFPVSA-N 2 1 339.527 3.352 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@]3(CCC[N@H+]3Cc3ccccc3)C1)C2 ZINC001169156416 1384116767 /nfs/dbraw/zinc/11/67/67/1384116767.db2.gz XQPXHVVKWBOOOB-CIAFKFPVSA-N 2 1 339.527 3.352 20 0 EGADMP CC[NH+]1CCC([N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)CC1 ZINC001169254260 1384127916 /nfs/dbraw/zinc/12/79/16/1384127916.db2.gz SYXCNPBKXAWKRK-XLIONFOSSA-N 2 1 329.488 3.047 20 0 EGADMP CC[NH+]1CCC([N@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)CC1 ZINC001169254260 1384127917 /nfs/dbraw/zinc/12/79/17/1384127917.db2.gz SYXCNPBKXAWKRK-XLIONFOSSA-N 2 1 329.488 3.047 20 0 EGADMP CC[NH+]1CCC([N@@H+]2CCCC[C@H]2[C@H](C(=O)OC)c2ccccc2)CC1 ZINC001169261163 1384128811 /nfs/dbraw/zinc/12/88/11/1384128811.db2.gz BGCPVWOMWXJIFT-VQTJNVASSA-N 2 1 344.499 3.282 20 0 EGADMP CC[NH+]1CCC([N@H+]2CCCC[C@H]2[C@H](C(=O)OC)c2ccccc2)CC1 ZINC001169261163 1384128813 /nfs/dbraw/zinc/12/88/13/1384128813.db2.gz BGCPVWOMWXJIFT-VQTJNVASSA-N 2 1 344.499 3.282 20 0 EGADMP c1ccc(C[N@@H+]2CCc3c(ccnc3NCC[C@H]3CCC[NH2+]3)C2)cc1 ZINC001169558738 1384159561 /nfs/dbraw/zinc/15/95/61/1384159561.db2.gz PZKRJABWBKKAAG-LJQANCHMSA-N 2 1 336.483 3.194 20 0 EGADMP c1oc2ccccc2c1CCNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001169599227 1384163746 /nfs/dbraw/zinc/16/37/46/1384163746.db2.gz DUGKSIDUKYFITH-UHFFFAOYSA-N 2 1 332.407 3.422 20 0 EGADMP C[C@@H](CCCC[NH2+]Cc1ccc(CF)cc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169807974 1384187614 /nfs/dbraw/zinc/18/76/14/1384187614.db2.gz AHNHKBTYAJBKRJ-QFBILLFUSA-N 2 1 349.494 3.015 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169809601 1384187769 /nfs/dbraw/zinc/18/77/69/1384187769.db2.gz JGVOCLVLXMQMNO-PKOBYXMFSA-N 2 1 335.536 3.236 20 0 EGADMP C[C@H]1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)C1 ZINC001170145026 1384248239 /nfs/dbraw/zinc/24/82/39/1384248239.db2.gz RMCJOPTZVQROQW-AZUAARDMSA-N 2 1 343.515 3.185 20 0 EGADMP Cc1[nH+]ccn1-c1cncc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001170451349 1384321989 /nfs/dbraw/zinc/32/19/89/1384321989.db2.gz UGEDOHAGWBYAMP-UHFFFAOYSA-N 2 1 328.464 3.034 20 0 EGADMP CC(C)C[C@]1(C)CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001170481891 1384327098 /nfs/dbraw/zinc/32/70/98/1384327098.db2.gz XTKXBZRFYAEWDB-CTNGQTDRSA-N 2 1 345.531 3.306 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001170565815 1384344138 /nfs/dbraw/zinc/34/41/38/1384344138.db2.gz YBASMTQKEZOTSB-VQIMIIECSA-N 2 1 348.462 3.064 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001170565815 1384344141 /nfs/dbraw/zinc/34/41/41/1384344141.db2.gz YBASMTQKEZOTSB-VQIMIIECSA-N 2 1 348.462 3.064 20 0 EGADMP [NH3+][C@H]1CCC[C@@H](Nc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)C1 ZINC001170620659 1384351635 /nfs/dbraw/zinc/35/16/35/1384351635.db2.gz PTEWINGYDPGYJD-UXLLHSPISA-N 3 1 327.476 3.033 20 0 EGADMP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001170751741 1384378883 /nfs/dbraw/zinc/37/88/83/1384378883.db2.gz UYXXZOVPTFSXJC-RJCMGOLDSA-N 2 1 337.552 3.480 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001170752048 1384378933 /nfs/dbraw/zinc/37/89/33/1384378933.db2.gz WTIYSRXNSIJBHV-PKOBYXMFSA-N 2 1 337.552 3.314 20 0 EGADMP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+]([C@@H]1CCCOCC1)CC2 ZINC001170811132 1384390078 /nfs/dbraw/zinc/39/00/78/1384390078.db2.gz JBQCIUUVQPAWNL-GOSISDBHSA-N 2 1 347.503 3.291 20 0 EGADMP C[C@@H]1COCC[C@H]1Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001170820652 1384391636 /nfs/dbraw/zinc/39/16/36/1384391636.db2.gz UPEFSCWTTMRMIQ-HYVNUMGLSA-N 2 1 328.460 3.188 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861316 1384400900 /nfs/dbraw/zinc/40/09/00/1384400900.db2.gz CEWLSRJWMJUPSW-LZLYRXPVSA-N 2 1 325.541 3.027 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH2+]CC1CCCCC1)c1ccccc1 ZINC001170868882 1384402041 /nfs/dbraw/zinc/40/20/41/1384402041.db2.gz VNSFSAGURDYWNX-FQEVSTJZSA-N 2 1 345.531 3.356 20 0 EGADMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCc2ccc(Br)cc2C1 ZINC001170869140 1384402137 /nfs/dbraw/zinc/40/21/37/1384402137.db2.gz OKUVJCMHYLNUBF-INIZCTEOSA-N 2 1 325.294 3.190 20 0 EGADMP C[N@@H+](C1CCOCC1)C1CCN([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001171003766 1384427712 /nfs/dbraw/zinc/42/77/12/1384427712.db2.gz XRVRHHPKHYQEEE-LJQANCHMSA-N 2 1 346.490 3.258 20 0 EGADMP C[N@H+](C1CCOCC1)C1CC[NH+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001171003766 1384427714 /nfs/dbraw/zinc/42/77/14/1384427714.db2.gz XRVRHHPKHYQEEE-LJQANCHMSA-N 2 1 346.490 3.258 20 0 EGADMP C[N@@H+](C1CCOCC1)C1CC[NH+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001171003766 1384427716 /nfs/dbraw/zinc/42/77/16/1384427716.db2.gz XRVRHHPKHYQEEE-LJQANCHMSA-N 2 1 346.490 3.258 20 0 EGADMP Clc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@H+](CC3CCOCC3)C1)C2 ZINC001171112691 1384448296 /nfs/dbraw/zinc/44/82/96/1384448296.db2.gz WZIGQGFBUWJNBC-VQTJNVASSA-N 2 1 348.918 3.288 20 0 EGADMP Clc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC3CCOCC3)C1)C2 ZINC001171112691 1384448298 /nfs/dbraw/zinc/44/82/98/1384448298.db2.gz WZIGQGFBUWJNBC-VQTJNVASSA-N 2 1 348.918 3.288 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001171122354 1384450118 /nfs/dbraw/zinc/45/01/18/1384450118.db2.gz ZYMODTIQWAANEC-HKUYNNGSSA-N 2 1 337.552 3.316 20 0 EGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001171236517 1384476769 /nfs/dbraw/zinc/47/67/69/1384476769.db2.gz NGICEQQOODSRPA-RTBURBONSA-N 2 1 339.568 3.419 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171331259 1384496031 /nfs/dbraw/zinc/49/60/31/1384496031.db2.gz XUSCIVRYVVBJPQ-ROUUACIJSA-N 2 1 325.541 3.172 20 0 EGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4c(Cl)ccc(OC)c4C3)C[C@@H]2C1 ZINC001171332825 1384496562 /nfs/dbraw/zinc/49/65/62/1384496562.db2.gz IVEXEEGXHZHCJR-ZNMIVQPWSA-N 2 1 334.891 3.089 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4c(Cl)ccc(OC)c4C3)C[C@@H]2C1 ZINC001171332825 1384496565 /nfs/dbraw/zinc/49/65/65/1384496565.db2.gz IVEXEEGXHZHCJR-ZNMIVQPWSA-N 2 1 334.891 3.089 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4c(Cl)ccc(OC)c4C3)C[C@@H]2C1 ZINC001171332825 1384496568 /nfs/dbraw/zinc/49/65/68/1384496568.db2.gz IVEXEEGXHZHCJR-ZNMIVQPWSA-N 2 1 334.891 3.089 20 0 EGADMP Cc1c[nH+]ccc1N1CC[NH+]([C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171382840 1384507800 /nfs/dbraw/zinc/50/78/00/1384507800.db2.gz NKNNHYCBOYGBSD-KRWDZBQOSA-N 2 1 343.421 3.348 20 0 EGADMP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171537428 1384555328 /nfs/dbraw/zinc/55/53/28/1384555328.db2.gz CFHBETSSSVHWSC-RJCMGOLDSA-N 2 1 337.552 3.482 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171547485 1384559865 /nfs/dbraw/zinc/55/98/65/1384559865.db2.gz SKNZSLWYZYILTC-HKUYNNGSSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C(C)(C)C[NH3+])C[C@@H]1C(C)(C)C ZINC001171585904 1384572216 /nfs/dbraw/zinc/57/22/16/1384572216.db2.gz NUHYQHSJVGWVNZ-UONOGXRCSA-N 2 1 327.513 3.128 20 0 EGADMP C[NH+](C)CCOc1ccc(CNC2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001171619305 1384582183 /nfs/dbraw/zinc/58/21/83/1384582183.db2.gz JDTAOKNAJLAJHB-UHFFFAOYSA-N 2 1 347.547 3.368 20 0 EGADMP C[C@@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C[C@@]1(O)C(F)(F)F ZINC001171631994 1384586307 /nfs/dbraw/zinc/58/63/07/1384586307.db2.gz SBOAJJKWFWTNLC-WBMJQRKESA-N 2 1 336.442 3.273 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]C/C=C\Cl ZINC001171645926 1384591256 /nfs/dbraw/zinc/59/12/56/1384591256.db2.gz DDCDZJYRDBZEDO-SQGUUQMOSA-N 2 1 343.943 3.124 20 0 EGADMP C[C@@H]1C[C@@H](n2nc(CC[NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171733501 1384619482 /nfs/dbraw/zinc/61/94/82/1384619482.db2.gz UFGMENNNUUDPOI-SJLPKXTDSA-N 2 1 334.467 3.373 20 0 EGADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CN1Cc1ccccc1 ZINC001171739738 1384620549 /nfs/dbraw/zinc/62/05/49/1384620549.db2.gz GARXYAASIQKNIJ-GIVPXCGWSA-N 2 1 329.532 3.490 20 0 EGADMP C[C@H]1C[C@H](N2CC[NH+](CC3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171763211 1384628655 /nfs/dbraw/zinc/62/86/55/1384628655.db2.gz OTKIATNODJLMBE-UGKGYDQZSA-N 2 1 341.543 3.457 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)[C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171787245 1384637094 /nfs/dbraw/zinc/63/70/94/1384637094.db2.gz IGRIVEOGDJGJJG-BHIYHBOVSA-N 2 1 339.458 3.460 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171907246 1384677568 /nfs/dbraw/zinc/67/75/68/1384677568.db2.gz QYRFYFAEACZQPP-FQEVSTJZSA-N 2 1 345.531 3.345 20 0 EGADMP CC1(C)C[C@H]([NH2+]CCC(=O)N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171961674 1384696404 /nfs/dbraw/zinc/69/64/04/1384696404.db2.gz AFBRAIMSVBWDSC-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](C)C1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171976265 1384701220 /nfs/dbraw/zinc/70/12/20/1384701220.db2.gz JQSXSUGIEYYFMJ-FQEVSTJZSA-N 2 1 329.532 3.456 20 0 EGADMP CC1(C)C[C@H]([NH+]2CC[C@@H](O)[C@@H](F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977898 1384702056 /nfs/dbraw/zinc/70/20/56/1384702056.db2.gz USGRJQYOTPEMQY-CEXWTWQISA-N 2 1 334.479 3.224 20 0 EGADMP CC1(C)C[C@H]([N@@H+]2CC[C@@H](O)[C@@H](F)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977898 1384702058 /nfs/dbraw/zinc/70/20/58/1384702058.db2.gz USGRJQYOTPEMQY-CEXWTWQISA-N 2 1 334.479 3.224 20 0 EGADMP CC1(C)C[C@H]([N@H+]2CC[C@@H](O)[C@@H](F)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977898 1384702059 /nfs/dbraw/zinc/70/20/59/1384702059.db2.gz USGRJQYOTPEMQY-CEXWTWQISA-N 2 1 334.479 3.224 20 0 EGADMP CC[N@H+](CCC(=O)OC)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171986698 1384705099 /nfs/dbraw/zinc/70/50/99/1384705099.db2.gz KTIPGLOILRZUKV-SFHVURJKSA-N 2 1 332.488 3.315 20 0 EGADMP CC[N@@H+](CCC(=O)OC)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171986698 1384705108 /nfs/dbraw/zinc/70/51/08/1384705108.db2.gz KTIPGLOILRZUKV-SFHVURJKSA-N 2 1 332.488 3.315 20 0 EGADMP CC[NH+](CCC(=O)OC)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986698 1384705113 /nfs/dbraw/zinc/70/51/13/1384705113.db2.gz KTIPGLOILRZUKV-SFHVURJKSA-N 2 1 332.488 3.315 20 0 EGADMP CC[NH+](CCC(=O)OC)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986698 1384705118 /nfs/dbraw/zinc/70/51/18/1384705118.db2.gz KTIPGLOILRZUKV-SFHVURJKSA-N 2 1 332.488 3.315 20 0 EGADMP CC1(C)C[C@@H](N2CC[NH+]3CCC2CC3)CC[N@H+]1Cc1ccccc1 ZINC001171986240 1384706708 /nfs/dbraw/zinc/70/67/08/1384706708.db2.gz GBWVGJBPYAPRRL-FQEVSTJZSA-N 2 1 327.516 3.210 20 0 EGADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064602 1384714390 /nfs/dbraw/zinc/71/43/90/1384714390.db2.gz DHGGJKGUVXHFBN-UHZRXMQZSA-N 2 1 328.500 3.321 20 0 EGADMP O=c1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc[nH]1 ZINC001172064340 1384714541 /nfs/dbraw/zinc/71/45/41/1384714541.db2.gz HEWPEZNRGUBPGT-ACDBMABISA-N 2 1 337.467 3.463 20 0 EGADMP Cc1ncn([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1CC[NH3+] ZINC001172064798 1384716663 /nfs/dbraw/zinc/71/66/63/1384716663.db2.gz JWEUUPIYAWZAPW-PMOLBWCYSA-N 2 1 338.499 3.451 20 0 EGADMP O[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@H]1F ZINC001172069747 1384718709 /nfs/dbraw/zinc/71/87/09/1384718709.db2.gz UIIOHVRDVKJDFD-XDWAVFMPSA-N 2 1 346.490 3.367 20 0 EGADMP O[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@H]1F ZINC001172069747 1384718714 /nfs/dbraw/zinc/71/87/14/1384718714.db2.gz UIIOHVRDVKJDFD-XDWAVFMPSA-N 2 1 346.490 3.367 20 0 EGADMP O[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@H]1F ZINC001172069747 1384718716 /nfs/dbraw/zinc/71/87/16/1384718716.db2.gz UIIOHVRDVKJDFD-XDWAVFMPSA-N 2 1 346.490 3.367 20 0 EGADMP CC(C)C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(N)=O ZINC001172072385 1384718809 /nfs/dbraw/zinc/71/88/09/1384718809.db2.gz LYPCJCJGHFOELI-IYWMVGAKSA-N 2 1 343.515 3.062 20 0 EGADMP CC(C)C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(N)=O ZINC001172072385 1384718811 /nfs/dbraw/zinc/71/88/11/1384718811.db2.gz LYPCJCJGHFOELI-IYWMVGAKSA-N 2 1 343.515 3.062 20 0 EGADMP COC(=O)C[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076311 1384719162 /nfs/dbraw/zinc/71/91/62/1384719162.db2.gz HUALCANQDRSODM-KANFNMMFSA-N 2 1 330.472 3.113 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]CCc2ncccn2)C3)cc1 ZINC001172073446 1384719414 /nfs/dbraw/zinc/71/94/14/1384719414.db2.gz RCVUSAQSXVUHRA-ACDBMABISA-N 2 1 336.483 3.194 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001172102219 1384726590 /nfs/dbraw/zinc/72/65/90/1384726590.db2.gz LAGLPUKAQUHZJA-BURNTYAHSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001172102219 1384726592 /nfs/dbraw/zinc/72/65/92/1384726592.db2.gz LAGLPUKAQUHZJA-BURNTYAHSA-N 3 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001172102219 1384726597 /nfs/dbraw/zinc/72/65/97/1384726597.db2.gz LAGLPUKAQUHZJA-BURNTYAHSA-N 3 1 327.516 3.113 20 0 EGADMP COc1cccc2c1SC[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172108449 1384727769 /nfs/dbraw/zinc/72/77/69/1384727769.db2.gz AIDSRCZZPAQEDU-NXOAAHMSSA-N 2 1 332.513 3.317 20 0 EGADMP COc1cccc2c1SC[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172108449 1384727771 /nfs/dbraw/zinc/72/77/71/1384727771.db2.gz AIDSRCZZPAQEDU-NXOAAHMSSA-N 2 1 332.513 3.317 20 0 EGADMP COc1cccc2c1SC[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172108452 1384727984 /nfs/dbraw/zinc/72/79/84/1384727984.db2.gz AIDSRCZZPAQEDU-WCXIOVBPSA-N 2 1 332.513 3.317 20 0 EGADMP COc1cccc2c1SC[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172108452 1384727986 /nfs/dbraw/zinc/72/79/86/1384727986.db2.gz AIDSRCZZPAQEDU-WCXIOVBPSA-N 2 1 332.513 3.317 20 0 EGADMP CCOC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001172111517 1384729145 /nfs/dbraw/zinc/72/91/45/1384729145.db2.gz RWOKCCMYBVPCIH-OKYOBFRVSA-N 2 1 330.472 3.286 20 0 EGADMP CCOC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172111517 1384729148 /nfs/dbraw/zinc/72/91/48/1384729148.db2.gz RWOKCCMYBVPCIH-OKYOBFRVSA-N 2 1 330.472 3.286 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cn(Cc3ccccc3F)cn1)C2 ZINC001172110566 1384729437 /nfs/dbraw/zinc/72/94/37/1384729437.db2.gz KIRWWOUZIHDYFD-GGPHIMKMSA-N 2 1 342.462 3.175 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cn(Cc3ccccc3F)cn1)C2 ZINC001172110566 1384729446 /nfs/dbraw/zinc/72/94/46/1384729446.db2.gz KIRWWOUZIHDYFD-GGPHIMKMSA-N 2 1 342.462 3.175 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(O)(Cc3ccccc3)CC1)C2 ZINC001172109580 1384730189 /nfs/dbraw/zinc/73/01/89/1384730189.db2.gz DWSBIRIDAHFQAI-PMOLBWCYSA-N 2 1 328.500 3.071 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(O)(Cc3ccccc3)CC1)C2 ZINC001172109580 1384730191 /nfs/dbraw/zinc/73/01/91/1384730191.db2.gz DWSBIRIDAHFQAI-PMOLBWCYSA-N 2 1 328.500 3.071 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cncn1Cc1ccc(F)cc1)C2 ZINC001172113386 1384731201 /nfs/dbraw/zinc/73/12/01/1384731201.db2.gz GQFNQHXYCKWMBW-REPLKXPHSA-N 2 1 342.462 3.175 20 0 EGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127363 1384736278 /nfs/dbraw/zinc/73/62/78/1384736278.db2.gz IPYOTYDJGJFEHO-YUMYIRISSA-N 2 1 341.543 3.456 20 0 EGADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127363 1384736281 /nfs/dbraw/zinc/73/62/81/1384736281.db2.gz IPYOTYDJGJFEHO-YUMYIRISSA-N 2 1 341.543 3.456 20 0 EGADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127363 1384736285 /nfs/dbraw/zinc/73/62/85/1384736285.db2.gz IPYOTYDJGJFEHO-YUMYIRISSA-N 2 1 341.543 3.456 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1ccccc1 ZINC001172132488 1384737443 /nfs/dbraw/zinc/73/74/43/1384737443.db2.gz LQZRXZIKZDEOOA-WPVAHCMFSA-N 2 1 342.483 3.238 20 0 EGADMP COC(=O)[C@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1ccccc1 ZINC001172132488 1384737446 /nfs/dbraw/zinc/73/74/46/1384737446.db2.gz LQZRXZIKZDEOOA-WPVAHCMFSA-N 2 1 342.483 3.238 20 0 EGADMP COC(=O)[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1c1ccccc1 ZINC001172132488 1384737449 /nfs/dbraw/zinc/73/74/49/1384737449.db2.gz LQZRXZIKZDEOOA-WPVAHCMFSA-N 2 1 342.483 3.238 20 0 EGADMP COC(=O)[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccccc1 ZINC001172132488 1384737452 /nfs/dbraw/zinc/73/74/52/1384737452.db2.gz LQZRXZIKZDEOOA-WPVAHCMFSA-N 2 1 342.483 3.238 20 0 EGADMP CCCc1noc([C@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172129148 1384737525 /nfs/dbraw/zinc/73/75/25/1384737525.db2.gz XARMCIMLPJUJOI-MWDXBVQZSA-N 2 1 332.492 3.217 20 0 EGADMP CCCc1noc([C@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001172129148 1384737528 /nfs/dbraw/zinc/73/75/28/1384737528.db2.gz XARMCIMLPJUJOI-MWDXBVQZSA-N 2 1 332.492 3.217 20 0 EGADMP CCCc1noc([C@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172129148 1384737532 /nfs/dbraw/zinc/73/75/32/1384737532.db2.gz XARMCIMLPJUJOI-MWDXBVQZSA-N 2 1 332.492 3.217 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001316983051 1384741024 /nfs/dbraw/zinc/74/10/24/1384741024.db2.gz NOBCZCWLFNAYHL-PBHICJAKSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001316983051 1384741026 /nfs/dbraw/zinc/74/10/26/1384741026.db2.gz NOBCZCWLFNAYHL-PBHICJAKSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001316983051 1384741030 /nfs/dbraw/zinc/74/10/30/1384741030.db2.gz NOBCZCWLFNAYHL-PBHICJAKSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001316983051 1384741032 /nfs/dbraw/zinc/74/10/32/1384741032.db2.gz NOBCZCWLFNAYHL-PBHICJAKSA-N 2 1 349.906 3.076 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001316983967 1384741567 /nfs/dbraw/zinc/74/15/67/1384741567.db2.gz ZADDRFVMUTWWRM-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP CCCCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001316983967 1384741569 /nfs/dbraw/zinc/74/15/69/1384741569.db2.gz ZADDRFVMUTWWRM-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP CCCCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001316983967 1384741570 /nfs/dbraw/zinc/74/15/70/1384741570.db2.gz ZADDRFVMUTWWRM-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP COCCC[NH+]1CCC([NH+]2CCC(Oc3ccc(C)cc3)CC2)CC1 ZINC001172255329 1384756751 /nfs/dbraw/zinc/75/67/51/1384756751.db2.gz OFTBDRAWBOUEQA-UHFFFAOYSA-N 2 1 346.515 3.339 20 0 EGADMP CC1(C)C[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CO1 ZINC001172292191 1384761629 /nfs/dbraw/zinc/76/16/29/1384761629.db2.gz NZXMICCEHWBXKR-ZCNNSNEGSA-N 2 1 328.500 3.398 20 0 EGADMP CC1(C)C[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CO1 ZINC001172292191 1384761639 /nfs/dbraw/zinc/76/16/39/1384761639.db2.gz NZXMICCEHWBXKR-ZCNNSNEGSA-N 2 1 328.500 3.398 20 0 EGADMP CC1(C)C[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CO1 ZINC001172292191 1384761642 /nfs/dbraw/zinc/76/16/42/1384761642.db2.gz NZXMICCEHWBXKR-ZCNNSNEGSA-N 2 1 328.500 3.398 20 0 EGADMP CC1(C)C[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CO1 ZINC001172292184 1384762064 /nfs/dbraw/zinc/76/20/64/1384762064.db2.gz NZXMICCEHWBXKR-AABGKKOBSA-N 2 1 328.500 3.398 20 0 EGADMP CC1(C)C[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CO1 ZINC001172292184 1384762068 /nfs/dbraw/zinc/76/20/68/1384762068.db2.gz NZXMICCEHWBXKR-AABGKKOBSA-N 2 1 328.500 3.398 20 0 EGADMP CC1(C)C[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CO1 ZINC001172292184 1384762069 /nfs/dbraw/zinc/76/20/69/1384762069.db2.gz NZXMICCEHWBXKR-AABGKKOBSA-N 2 1 328.500 3.398 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C[C@@H]1C ZINC001172369177 1384778321 /nfs/dbraw/zinc/77/83/21/1384778321.db2.gz PSVYMCYBDOOGOM-ZVXZJYCBSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C[C@@H]1C ZINC001172369177 1384778324 /nfs/dbraw/zinc/77/83/24/1384778324.db2.gz PSVYMCYBDOOGOM-ZVXZJYCBSA-N 2 1 330.516 3.284 20 0 EGADMP CC(C)COCC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001172458003 1384796820 /nfs/dbraw/zinc/79/68/20/1384796820.db2.gz UXTOMUAFCMDIOG-GOSISDBHSA-N 2 1 334.504 3.060 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CCC2CCCC2)C1)[NH+](C)C ZINC001317043040 1384816993 /nfs/dbraw/zinc/81/69/93/1384816993.db2.gz NCJAAUKLOBVRGI-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC001172615719 1384820010 /nfs/dbraw/zinc/82/00/10/1384820010.db2.gz HLBZXJJVJHHPLJ-AZUAARDMSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC001172615719 1384820016 /nfs/dbraw/zinc/82/00/16/1384820016.db2.gz HLBZXJJVJHHPLJ-AZUAARDMSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001172632872 1384823461 /nfs/dbraw/zinc/82/34/61/1384823461.db2.gz KCJPAIWMGKQJDS-VQIMIIECSA-N 2 1 336.520 3.447 20 0 EGADMP [NH3+]C1(Cc2ccccn2)CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172718954 1384836884 /nfs/dbraw/zinc/83/68/84/1384836884.db2.gz YFVXGNKUBFHWMY-IBGZPJMESA-N 2 1 341.886 3.238 20 0 EGADMP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1)[NH+](C)C ZINC001317097475 1384859115 /nfs/dbraw/zinc/85/91/15/1384859115.db2.gz ANTJAGDTWGZDHQ-NXEWRWPSSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001172969786 1384892709 /nfs/dbraw/zinc/89/27/09/1384892709.db2.gz DHMKAWVOUVQSCH-AWEZNQCLSA-N 2 1 336.480 3.168 20 0 EGADMP c1nc2c(s1)C[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001173122642 1384919001 /nfs/dbraw/zinc/91/90/01/1384919001.db2.gz QOVFHGWWHDUQCC-KRWDZBQOSA-N 2 1 327.497 3.255 20 0 EGADMP COc1cccc2c1C[C@H]([N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1)CO2 ZINC001173161464 1384927713 /nfs/dbraw/zinc/92/77/13/1384927713.db2.gz QMHCJILOSPUGJJ-ULQDDVLXSA-N 2 1 332.488 3.227 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001173635175 1384993400 /nfs/dbraw/zinc/99/34/00/1384993400.db2.gz UMRRKUYIPAJDMQ-FHWLQOOXSA-N 2 1 336.520 3.353 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001173635175 1384993405 /nfs/dbraw/zinc/99/34/05/1384993405.db2.gz UMRRKUYIPAJDMQ-FHWLQOOXSA-N 2 1 336.520 3.353 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC001173723342 1385009471 /nfs/dbraw/zinc/00/94/71/1385009471.db2.gz HFMBSERNVPFHCU-KRWDZBQOSA-N 2 1 344.499 3.355 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001317361564 1385104525 /nfs/dbraw/zinc/10/45/25/1385104525.db2.gz VJQWTQJOFPNTAQ-PMACEKPBSA-N 2 1 345.531 3.244 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001317361566 1385104680 /nfs/dbraw/zinc/10/46/80/1385104680.db2.gz VJQWTQJOFPNTAQ-VQTJNVASSA-N 2 1 345.531 3.244 20 0 EGADMP C[C@@H](CCCC[NH2+]C/C=C/c1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001174705660 1385137234 /nfs/dbraw/zinc/13/72/34/1385137234.db2.gz KWRWYGLNMRWAMZ-RYQVPKHVSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175264288 1385234444 /nfs/dbraw/zinc/23/44/44/1385234444.db2.gz RXDZRQNGJLXYHZ-ZWKOTPCHSA-N 2 1 325.541 3.029 20 0 EGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C)C2 ZINC001175273337 1385237187 /nfs/dbraw/zinc/23/71/87/1385237187.db2.gz QZKBITYPOYXYDC-AEFFLSMTSA-N 2 1 348.535 3.065 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175271841 1385237237 /nfs/dbraw/zinc/23/72/37/1385237237.db2.gz FTZOUOLRFBOSIF-KRWDZBQOSA-N 2 1 339.568 3.419 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1 ZINC001175528361 1385321005 /nfs/dbraw/zinc/32/10/05/1385321005.db2.gz FGAHMUPOAKJPAD-QGZVFWFLSA-N 2 1 348.535 3.461 20 0 EGADMP CCc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001176023800 1385464404 /nfs/dbraw/zinc/46/44/04/1385464404.db2.gz IRNJLBBNGZZHLV-GOSISDBHSA-N 2 1 347.547 3.355 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001176132377 1385493009 /nfs/dbraw/zinc/49/30/09/1385493009.db2.gz FVAJQWZNAFKFEV-INIZCTEOSA-N 2 1 342.487 3.172 20 0 EGADMP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001176267846 1385532296 /nfs/dbraw/zinc/53/22/96/1385532296.db2.gz GIQKNJRUJQQHSF-DVBCCOPCSA-N 2 1 325.541 3.339 20 0 EGADMP CCc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176754206 1385683955 /nfs/dbraw/zinc/68/39/55/1385683955.db2.gz SZVJXLSTNJUXIS-GOSISDBHSA-N 2 1 347.547 3.354 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001176759572 1385686449 /nfs/dbraw/zinc/68/64/49/1385686449.db2.gz KCGADSOLHXUPFJ-FXAWDEMLSA-N 2 1 345.531 3.354 20 0 EGADMP CCc1cccc(C[N@@H+]2CC[C@@H](N(CC)C(=O)CC[NH+](C)CC)C2)c1 ZINC001318486296 1385719520 /nfs/dbraw/zinc/71/95/20/1385719520.db2.gz XAMRLGGEZNFFCD-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1cccc(C[NH+]2CC[C@@H](N(CC)C(=O)CC[N@H+](C)CC)C2)c1 ZINC001318486296 1385719525 /nfs/dbraw/zinc/71/95/25/1385719525.db2.gz XAMRLGGEZNFFCD-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1cccc(C[NH+]2CC[C@@H](N(CC)C(=O)CC[N@@H+](C)CC)C2)c1 ZINC001318486296 1385719526 /nfs/dbraw/zinc/71/95/26/1385719526.db2.gz XAMRLGGEZNFFCD-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP Cc1ccc2ccccc2c1C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176971814 1385759471 /nfs/dbraw/zinc/75/94/71/1385759471.db2.gz IYGYMKZWEQXNDR-UHFFFAOYSA-N 2 1 341.499 3.084 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001176992254 1385765726 /nfs/dbraw/zinc/76/57/26/1385765726.db2.gz KSVDBRLKUGYCIP-FQEVSTJZSA-N 2 1 343.515 3.034 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1(C[NH2+][C@H](C)c2ccccc2C)CCCC1 ZINC001318662920 1385822379 /nfs/dbraw/zinc/82/23/79/1385822379.db2.gz CCUBDLACWLXPKW-GOSISDBHSA-N 2 1 345.531 3.416 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001177226213 1385875124 /nfs/dbraw/zinc/87/51/24/1385875124.db2.gz NAQXBABJCPJSMF-OAHLLOKOSA-N 2 1 334.533 3.016 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC001177226213 1385875129 /nfs/dbraw/zinc/87/51/29/1385875129.db2.gz NAQXBABJCPJSMF-OAHLLOKOSA-N 2 1 334.533 3.016 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001177339276 1385919001 /nfs/dbraw/zinc/91/90/01/1385919001.db2.gz AUHIIMZNGUNCII-SFHVURJKSA-N 2 1 346.519 3.169 20 0 EGADMP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001177349108 1385924468 /nfs/dbraw/zinc/92/44/68/1385924468.db2.gz YIAYQQNQVAILPQ-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001177415863 1385948351 /nfs/dbraw/zinc/94/83/51/1385948351.db2.gz MKEIZUGVVZTMPL-IBGZPJMESA-N 2 1 349.563 3.293 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(CCC[NH2+]CCC(C)C)CC1CCCC1 ZINC001177455817 1385962607 /nfs/dbraw/zinc/96/26/07/1385962607.db2.gz JJAVACOUILXXAQ-UHFFFAOYSA-N 2 1 339.568 3.373 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC001319187822 1385998125 /nfs/dbraw/zinc/99/81/25/1385998125.db2.gz VIIKYKQXYKILDC-HZPDHXFCSA-N 2 1 344.503 3.353 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC001319199282 1386003107 /nfs/dbraw/zinc/00/31/07/1386003107.db2.gz VABGVPBNZDOGBV-CABCVRRESA-N 2 1 336.476 3.095 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CC2(NC(=O)[C@@H]3CCC[N@H+]3C)CCCC2)c1 ZINC001698628451 1406271157 /nfs/dbraw/zinc/27/11/57/1406271157.db2.gz ULLYVCQCXPHXGK-MJGOQNOKSA-N 2 1 343.515 3.169 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H]1C ZINC001178688712 1386277784 /nfs/dbraw/zinc/27/77/84/1386277784.db2.gz HPOGWNUGIQVFEC-IHPCNDPISA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001178698913 1386282519 /nfs/dbraw/zinc/28/25/19/1386282519.db2.gz ZLTDUCKFXAPMES-DLBZAZTESA-N 2 1 334.508 3.073 20 0 EGADMP CCCCC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001178735737 1386292283 /nfs/dbraw/zinc/29/22/83/1386292283.db2.gz CLSOSZKEZUCTTF-IKGGRYGDSA-N 2 1 334.508 3.166 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178811409 1386314157 /nfs/dbraw/zinc/31/41/57/1386314157.db2.gz UYBQOKDTZPVHGA-MOPGFXCFSA-N 2 1 335.536 3.070 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]CCCC(C)C ZINC001178853681 1386329531 /nfs/dbraw/zinc/32/95/31/1386329531.db2.gz NYIZZSXGOQQVFU-UHFFFAOYSA-N 2 1 327.557 3.419 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]1C ZINC001178890647 1386340615 /nfs/dbraw/zinc/34/06/15/1386340615.db2.gz JNQRPRKHJHXXOU-BZSNNMDCSA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@H](C(=O)N1CCC(CC[N@@H+](C)C(C)C)CC1)[NH+](CC)CC ZINC001319885252 1386360852 /nfs/dbraw/zinc/36/08/52/1386360852.db2.gz KJKPCKUMGWWPSP-GOSISDBHSA-N 2 1 325.541 3.076 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC001179338148 1386455653 /nfs/dbraw/zinc/45/56/53/1386455653.db2.gz DDLCLRGPEXXCOW-VQIMIIECSA-N 2 1 334.467 3.421 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC001179338148 1386455657 /nfs/dbraw/zinc/45/56/57/1386455657.db2.gz DDLCLRGPEXXCOW-VQIMIIECSA-N 2 1 334.467 3.421 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC001179338148 1386455661 /nfs/dbraw/zinc/45/56/61/1386455661.db2.gz DDLCLRGPEXXCOW-VQIMIIECSA-N 2 1 334.467 3.421 20 0 EGADMP CC(C)[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001179361514 1386463432 /nfs/dbraw/zinc/46/34/32/1386463432.db2.gz IDONUWYEPBDDFL-LJQANCHMSA-N 2 1 337.552 3.458 20 0 EGADMP Cc1ccc(C[N@H+](C)CCN(C)C(=O)CC[NH+]2CCCCC2)cc1C ZINC001320091355 1386505555 /nfs/dbraw/zinc/50/55/55/1386505555.db2.gz UGXMPAQLJASJHD-UHFFFAOYSA-N 2 1 345.531 3.070 20 0 EGADMP CC[C@H](F)C[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001179714258 1386561974 /nfs/dbraw/zinc/56/19/74/1386561974.db2.gz MWTBWONYOHRMEY-INIZCTEOSA-N 2 1 340.487 3.021 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([NH2+]C[C@H](C)CC(C)C)[C@@H]1C ZINC001179719900 1386564294 /nfs/dbraw/zinc/56/42/94/1386564294.db2.gz SVZCBWUNMJHIHC-AOIWGVFYSA-N 2 1 348.535 3.233 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCCCCCC[NH2+]CCC(C)(C)C)C1 ZINC001180061184 1386683478 /nfs/dbraw/zinc/68/34/78/1386683478.db2.gz ZOQCNSRNEUBDHS-KRWDZBQOSA-N 2 1 325.541 3.031 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCCCCCC[NH2+]CCC2=CCCCC2)C1 ZINC001180060986 1386683562 /nfs/dbraw/zinc/68/35/62/1386683562.db2.gz WZIHFYIAGGGGEC-FQEVSTJZSA-N 2 1 349.563 3.485 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001180117918 1386702241 /nfs/dbraw/zinc/70/22/41/1386702241.db2.gz LUWGRLRIVUPAKN-UHFFFAOYSA-N 2 1 339.568 3.421 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001180117927 1386702428 /nfs/dbraw/zinc/70/24/28/1386702428.db2.gz MHBCPCMIJRHTEX-UHFFFAOYSA-N 2 1 327.557 3.421 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180259775 1386748515 /nfs/dbraw/zinc/74/85/15/1386748515.db2.gz MGBYWBFNQBHEPY-OALUTQOASA-N 2 1 345.531 3.274 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001180298723 1386758874 /nfs/dbraw/zinc/75/88/74/1386758874.db2.gz CMHBRIDSKCPXFG-PXNSSMCTSA-N 2 1 345.531 3.134 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001180298723 1386758880 /nfs/dbraw/zinc/75/88/80/1386758880.db2.gz CMHBRIDSKCPXFG-PXNSSMCTSA-N 2 1 345.531 3.134 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001180372859 1386778026 /nfs/dbraw/zinc/77/80/26/1386778026.db2.gz JNBVBXZGVSEZMA-HXUWFJFHSA-N 2 1 345.531 3.327 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC001180792550 1386875506 /nfs/dbraw/zinc/87/55/06/1386875506.db2.gz CBHBGCZBHVSJLV-YJBOKZPZSA-N 2 1 330.472 3.216 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@H]1OC ZINC001181153375 1386948202 /nfs/dbraw/zinc/94/82/02/1386948202.db2.gz CRMKKXZSBSDURQ-UAFMIMERSA-N 2 1 346.515 3.069 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@H]1OC ZINC001181153375 1386948206 /nfs/dbraw/zinc/94/82/06/1386948206.db2.gz CRMKKXZSBSDURQ-UAFMIMERSA-N 2 1 346.515 3.069 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001181729215 1387046857 /nfs/dbraw/zinc/04/68/57/1387046857.db2.gz YQPQWIGFICDVTA-YFVAEKQCSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001322079852 1387047456 /nfs/dbraw/zinc/04/74/56/1387047456.db2.gz LLCUYXDGZVSUIB-HOTGVXAUSA-N 2 1 342.487 3.170 20 0 EGADMP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001181793666 1387056260 /nfs/dbraw/zinc/05/62/60/1387056260.db2.gz YYRWGTZYDSQLJK-OPYRPYSASA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)c1ccccc1C[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001322282027 1387137819 /nfs/dbraw/zinc/13/78/19/1387137819.db2.gz VDHNEXSJWYAKEQ-PXNSSMCTSA-N 2 1 347.547 3.333 20 0 EGADMP Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N(C(C)C)C(C)(C)C[NH3+])C1 ZINC001182344509 1387153534 /nfs/dbraw/zinc/15/35/34/1387153534.db2.gz IJQCAAJFYQDGPF-IBGZPJMESA-N 2 1 345.531 3.181 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC=C(C)C)C2)C1 ZINC001182346798 1387153866 /nfs/dbraw/zinc/15/38/66/1387153866.db2.gz XURAUCTWLDOFLC-SVFBPWRDSA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001182369989 1387157856 /nfs/dbraw/zinc/15/78/56/1387157856.db2.gz WOLVWXNTFHJATB-JEYCQBMJSA-N 2 1 349.563 3.147 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC(SC)C1 ZINC001182425054 1387164331 /nfs/dbraw/zinc/16/43/31/1387164331.db2.gz YRBWTPJKEVYHTD-LWSMDNFKSA-N 2 1 334.529 3.007 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC(SC)C1 ZINC001182425054 1387164334 /nfs/dbraw/zinc/16/43/34/1387164334.db2.gz YRBWTPJKEVYHTD-LWSMDNFKSA-N 2 1 334.529 3.007 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)c(C)c1OC ZINC001322447678 1387188102 /nfs/dbraw/zinc/18/81/02/1387188102.db2.gz ZPKFRHDTYKREKO-BMGDILEWSA-N 2 1 334.504 3.406 20 0 EGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001322667824 1387221886 /nfs/dbraw/zinc/22/18/86/1387221886.db2.gz PQKBXFFQMYTGIR-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001322667824 1387221889 /nfs/dbraw/zinc/22/18/89/1387221889.db2.gz PQKBXFFQMYTGIR-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001322667824 1387221893 /nfs/dbraw/zinc/22/18/93/1387221893.db2.gz PQKBXFFQMYTGIR-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001322667824 1387221895 /nfs/dbraw/zinc/22/18/95/1387221895.db2.gz PQKBXFFQMYTGIR-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)CC1CCCCCC1 ZINC001329624100 1389189896 /nfs/dbraw/zinc/18/98/96/1389189896.db2.gz OFYAQVWYVMBQJS-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCCCC[N@H+]2Cc2ccccc2)CCC1 ZINC001329924513 1389261592 /nfs/dbraw/zinc/26/15/92/1389261592.db2.gz WIWFVTLWYXTNHY-IBGZPJMESA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001330056420 1389295619 /nfs/dbraw/zinc/29/56/19/1389295619.db2.gz YRWIGVRBFPKGSE-IAGOWNOFSA-N 2 1 348.535 3.125 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC001332555232 1390134383 /nfs/dbraw/zinc/13/43/83/1390134383.db2.gz HAUPWSXRAJMBTH-GOEBONIOSA-N 2 1 336.549 3.391 20 0 EGADMP C[C@@H]1C[C@@H](CCNC(=O)C[C@H]([NH3+])C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC001340428779 1390287495 /nfs/dbraw/zinc/28/74/95/1390287495.db2.gz KIYROVDEEJCGSV-QRQLOZEOSA-N 2 1 345.531 3.167 20 0 EGADMP CC(=O)OC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001335071952 1390638357 /nfs/dbraw/zinc/63/83/57/1390638357.db2.gz IZZDQIWLJYAQMZ-FAXKSRBJSA-N 2 1 330.472 3.113 20 0 EGADMP O=C(O[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C[NH+]2CCCCC2)o1 ZINC001343532587 1390720840 /nfs/dbraw/zinc/72/08/40/1390720840.db2.gz IZKPTIIAQLYXSC-JKSUJKDBSA-N 2 1 332.444 3.049 20 0 EGADMP COc1ccc(C[C@H](C)[N@@H+](C)C[C@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC001345204850 1390847648 /nfs/dbraw/zinc/84/76/48/1390847648.db2.gz PLERSDZAHJGROZ-LPHOPBHVSA-N 2 1 342.483 3.309 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001347927754 1391147643 /nfs/dbraw/zinc/14/76/43/1391147643.db2.gz YNCBAMOBYWFHBW-BBWFWOEESA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC3CC[NH+](C4CCCCC4)CC3)C[N@H+]2C1 ZINC001347980331 1391153502 /nfs/dbraw/zinc/15/35/02/1391153502.db2.gz ISTFIJFYDQNMIW-UWVAXJGDSA-N 2 1 347.547 3.020 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCC1([NH2+]CC2CC2)CCCC1)c1ccccc1 ZINC001698805501 1406486408 /nfs/dbraw/zinc/48/64/08/1406486408.db2.gz GLFPIKIKWOGXGP-IBGZPJMESA-N 2 1 343.515 3.108 20 0 EGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@@H+]3C2)c1 ZINC001349366680 1391324093 /nfs/dbraw/zinc/32/40/93/1391324093.db2.gz DESFYWUXPWMAAI-WDYCEAGBSA-N 2 1 329.488 3.116 20 0 EGADMP C[C@H](CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[NH+]1CCCCC1 ZINC001353556317 1392038963 /nfs/dbraw/zinc/03/89/63/1392038963.db2.gz RURHMCVBAGBJMZ-XLIONFOSSA-N 2 1 343.515 3.100 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC001353604975 1392048344 /nfs/dbraw/zinc/04/83/44/1392048344.db2.gz OYUWUBHQZRCFLB-GOSISDBHSA-N 2 1 331.504 3.016 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001479911294 1392479525 /nfs/dbraw/zinc/47/95/25/1392479525.db2.gz AIUCOKQBUBNNTN-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001479911294 1392479528 /nfs/dbraw/zinc/47/95/28/1392479528.db2.gz AIUCOKQBUBNNTN-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001479911294 1392479530 /nfs/dbraw/zinc/47/95/30/1392479530.db2.gz AIUCOKQBUBNNTN-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC/C=C\c2ccccc2)C1 ZINC001479913928 1392481254 /nfs/dbraw/zinc/48/12/54/1392481254.db2.gz YQVFMOCEPWXSCY-HXKWKUIBSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC/C=C\c2ccccc2)C1 ZINC001479913928 1392481256 /nfs/dbraw/zinc/48/12/56/1392481256.db2.gz YQVFMOCEPWXSCY-HXKWKUIBSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC001479913928 1392481258 /nfs/dbraw/zinc/48/12/58/1392481258.db2.gz YQVFMOCEPWXSCY-HXKWKUIBSA-N 2 1 343.515 3.012 20 0 EGADMP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001479968238 1392504968 /nfs/dbraw/zinc/50/49/68/1392504968.db2.gz GRJKMUWQECROQF-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCCCC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001479968238 1392504971 /nfs/dbraw/zinc/50/49/71/1392504971.db2.gz GRJKMUWQECROQF-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001479968238 1392504976 /nfs/dbraw/zinc/50/49/76/1392504976.db2.gz GRJKMUWQECROQF-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001479968238 1392504978 /nfs/dbraw/zinc/50/49/78/1392504978.db2.gz GRJKMUWQECROQF-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001698862970 1406574087 /nfs/dbraw/zinc/57/40/87/1406574087.db2.gz XTSUACVWKMYKSX-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP C[N@@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480743002 1392909503 /nfs/dbraw/zinc/90/95/03/1392909503.db2.gz UTJTUCSKCDPDBQ-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+](C)[C@H](C)c2ccccc2C)C1 ZINC001480903969 1393010396 /nfs/dbraw/zinc/01/03/96/1393010396.db2.gz CCUAOAWDWCPZPV-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001480903969 1393010397 /nfs/dbraw/zinc/01/03/97/1393010397.db2.gz CCUAOAWDWCPZPV-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001480903969 1393010400 /nfs/dbraw/zinc/01/04/00/1393010400.db2.gz CCUAOAWDWCPZPV-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C[NH2+][C@H](C)c1ccccc1)CC(C)C ZINC001698878203 1406604669 /nfs/dbraw/zinc/60/46/69/1406604669.db2.gz JGXQXNJFBIRLKS-VQIMIIECSA-N 2 1 342.487 3.073 20 0 EGADMP CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001481286831 1393158647 /nfs/dbraw/zinc/15/86/47/1393158647.db2.gz CLHVDYKMBRTVOI-UXHICEINSA-N 2 1 345.531 3.449 20 0 EGADMP CC[C@@H](C)C[NH2+][C@H](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001481340465 1393167880 /nfs/dbraw/zinc/16/78/80/1393167880.db2.gz QEXOBOVFXODOIL-IAGOWNOFSA-N 2 1 348.535 3.235 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](CC)c1ccccc1 ZINC001481386100 1394224583 /nfs/dbraw/zinc/22/45/83/1394224583.db2.gz OCHJFVFISJXRKP-ZCNNSNEGSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](CC)c1ccccc1 ZINC001481386100 1394224586 /nfs/dbraw/zinc/22/45/86/1394224586.db2.gz OCHJFVFISJXRKP-ZCNNSNEGSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](CC)c1ccccc1 ZINC001481386100 1394224589 /nfs/dbraw/zinc/22/45/89/1394224589.db2.gz OCHJFVFISJXRKP-ZCNNSNEGSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](C/C=C/c2ccccc2)C1 ZINC001490456351 1394233617 /nfs/dbraw/zinc/23/36/17/1394233617.db2.gz AKTILVDHKIAFNM-WUTDNEBXSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC001490456351 1394233623 /nfs/dbraw/zinc/23/36/23/1394233623.db2.gz AKTILVDHKIAFNM-WUTDNEBXSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC001490456351 1394233625 /nfs/dbraw/zinc/23/36/25/1394233625.db2.gz AKTILVDHKIAFNM-WUTDNEBXSA-N 2 1 343.515 3.012 20 0 EGADMP CCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001490623140 1394287018 /nfs/dbraw/zinc/28/70/18/1394287018.db2.gz JEFRAOHNHRNJEY-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP Cc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)C2([NH+](C)C)CCC2)cs1 ZINC001491209423 1394471987 /nfs/dbraw/zinc/47/19/87/1394471987.db2.gz DVWAMNVJTKAZBI-KRWDZBQOSA-N 2 1 349.544 3.012 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001491302806 1394502407 /nfs/dbraw/zinc/50/24/07/1394502407.db2.gz YWGBMBDZWYKXAE-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC(CC[NH2+]C(C)C)CC1)c1ccccc1 ZINC001482007692 1394667481 /nfs/dbraw/zinc/66/74/81/1394667481.db2.gz OBDKZIKHJNVNIQ-HXUWFJFHSA-N 2 1 345.531 3.306 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC[C@@]2(CC[N@@H+](CCCC(C)(C)C)C2)C1 ZINC001483845533 1395111916 /nfs/dbraw/zinc/11/19/16/1395111916.db2.gz OBJSDDLZZBXNHZ-HXUWFJFHSA-N 2 1 337.552 3.079 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C[C@@H]1C ZINC001483915670 1395143401 /nfs/dbraw/zinc/14/34/01/1395143401.db2.gz HOMBSMADLNPRTN-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCCc1ccc(C[N@H+]2CC[C@@](C)(NC(=O)CC[NH+](C)CC)C2)cc1 ZINC001484065747 1395227934 /nfs/dbraw/zinc/22/79/34/1395227934.db2.gz ZAUROROXBZPQBU-OAQYLSRUSA-N 2 1 345.531 3.062 20 0 EGADMP CCCc1ccc(C[NH+]2CC[C@@](C)(NC(=O)CC[N@H+](C)CC)C2)cc1 ZINC001484065747 1395227935 /nfs/dbraw/zinc/22/79/35/1395227935.db2.gz ZAUROROXBZPQBU-OAQYLSRUSA-N 2 1 345.531 3.062 20 0 EGADMP CCCc1ccc(C[NH+]2CC[C@@](C)(NC(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001484065747 1395227937 /nfs/dbraw/zinc/22/79/37/1395227937.db2.gz ZAUROROXBZPQBU-OAQYLSRUSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[NH+](CC3CCC3)C2)C1 ZINC001484770584 1395529679 /nfs/dbraw/zinc/52/96/79/1395529679.db2.gz GZZAUYGEOMZYKP-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](CC3CCC3)C2)C1 ZINC001484770584 1395529681 /nfs/dbraw/zinc/52/96/81/1395529681.db2.gz GZZAUYGEOMZYKP-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC001484770584 1395529683 /nfs/dbraw/zinc/52/96/83/1395529683.db2.gz GZZAUYGEOMZYKP-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[C@@H](C(=O)NCc1ccc2c(c1)C[N@H+](CC1CCC1)C2)[NH+](C)C ZINC001484875324 1395578912 /nfs/dbraw/zinc/57/89/12/1395578912.db2.gz APVHIFDVNFPBJC-FQEVSTJZSA-N 2 1 343.515 3.005 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@H+]1CC1CCC1 ZINC001484985026 1395626348 /nfs/dbraw/zinc/62/63/48/1395626348.db2.gz AWBVNGYMNLIETH-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1cccc(C)c1 ZINC001485040600 1395646924 /nfs/dbraw/zinc/64/69/24/1395646924.db2.gz PEFGSWCRDNIFOG-QUCCMNQESA-N 2 1 345.531 3.369 20 0 EGADMP Cc1cccc(C)c1C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001485349905 1395824290 /nfs/dbraw/zinc/82/42/90/1395824290.db2.gz JNXBFCIPYMQYHF-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1cccc(C)c1C[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001485349905 1395824298 /nfs/dbraw/zinc/82/42/98/1395824298.db2.gz JNXBFCIPYMQYHF-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001485349905 1395824305 /nfs/dbraw/zinc/82/43/05/1395824305.db2.gz JNXBFCIPYMQYHF-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP CCCC[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001485467092 1395942558 /nfs/dbraw/zinc/94/25/58/1395942558.db2.gz ZRAOMLVNSBEIBO-OALUTQOASA-N 2 1 335.536 3.236 20 0 EGADMP CC(C)[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C1CCCCC1 ZINC001496323252 1396650142 /nfs/dbraw/zinc/65/01/42/1396650142.db2.gz KRIIRZONCPVYKK-QGZVFWFLSA-N 2 1 334.508 3.070 20 0 EGADMP C[C@@H](C[N@@H+](C)CCC1CCCCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001498368707 1396977716 /nfs/dbraw/zinc/97/77/16/1396977716.db2.gz WIPVANWYESDXNE-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1ccc(C)cc1 ZINC001690458016 1404588086 /nfs/dbraw/zinc/58/80/86/1404588086.db2.gz XIEPQYPGWQUTIT-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C)cc1 ZINC001690458016 1404588089 /nfs/dbraw/zinc/58/80/89/1404588089.db2.gz XIEPQYPGWQUTIT-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C)cc1 ZINC001690458016 1404588094 /nfs/dbraw/zinc/58/80/94/1404588094.db2.gz XIEPQYPGWQUTIT-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]CC1CCCCCC1 ZINC001690627416 1404662739 /nfs/dbraw/zinc/66/27/39/1404662739.db2.gz XPGSHBLSWZSHHU-INIZCTEOSA-N 2 1 334.508 3.071 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001690784261 1404731708 /nfs/dbraw/zinc/73/17/08/1404731708.db2.gz IXUKBIRHUNAOAN-OALUTQOASA-N 2 1 349.494 3.015 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)CC1CCC(C(C)(C)C)CC1 ZINC001690987540 1404902908 /nfs/dbraw/zinc/90/29/08/1404902908.db2.gz HOYKROFXVSTADF-UHFFFAOYSA-N 2 1 339.568 3.229 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC001690987540 1404902910 /nfs/dbraw/zinc/90/29/10/1404902910.db2.gz HOYKROFXVSTADF-UHFFFAOYSA-N 2 1 339.568 3.229 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC001690987540 1404902913 /nfs/dbraw/zinc/90/29/13/1404902913.db2.gz HOYKROFXVSTADF-UHFFFAOYSA-N 2 1 339.568 3.229 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001691000315 1404916042 /nfs/dbraw/zinc/91/60/42/1404916042.db2.gz BTVWILNKZBFKBE-RBUKOAKNSA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001691000316 1404916098 /nfs/dbraw/zinc/91/60/98/1404916098.db2.gz BTVWILNKZBFKBE-RTBURBONSA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001691055747 1404975055 /nfs/dbraw/zinc/97/50/55/1404975055.db2.gz PZTMFOFKBYWIOG-RBUKOAKNSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]([C@@H](C)c1ccccc1)C1CC1 ZINC001691211498 1405151167 /nfs/dbraw/zinc/15/11/67/1405151167.db2.gz UCWSEOYDDZBTCO-PXNSSMCTSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC001691211498 1405151169 /nfs/dbraw/zinc/15/11/69/1405151169.db2.gz UCWSEOYDDZBTCO-PXNSSMCTSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC001691211498 1405151171 /nfs/dbraw/zinc/15/11/71/1405151171.db2.gz UCWSEOYDDZBTCO-PXNSSMCTSA-N 2 1 343.515 3.203 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001691990140 1405703782 /nfs/dbraw/zinc/70/37/82/1405703782.db2.gz VVFSNKIWEWIBMM-DLBZAZTESA-N 2 1 349.494 3.009 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001691990140 1405703788 /nfs/dbraw/zinc/70/37/88/1405703788.db2.gz VVFSNKIWEWIBMM-DLBZAZTESA-N 2 1 349.494 3.009 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001691990140 1405703790 /nfs/dbraw/zinc/70/37/90/1405703790.db2.gz VVFSNKIWEWIBMM-DLBZAZTESA-N 2 1 349.494 3.009 20 0 EGADMP CCN(C(=O)CC[N@H+](C)CC)[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001698586852 1406204521 /nfs/dbraw/zinc/20/45/21/1406204521.db2.gz DYYBJSLHOPFXNQ-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CCN(C(=O)CC[N@@H+](C)CC)[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001698586852 1406204525 /nfs/dbraw/zinc/20/45/25/1406204525.db2.gz DYYBJSLHOPFXNQ-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001698586852 1406204519 /nfs/dbraw/zinc/20/45/19/1406204519.db2.gz DYYBJSLHOPFXNQ-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001698589157 1406210007 /nfs/dbraw/zinc/21/00/07/1406210007.db2.gz ZCTHWGIBRSPWLX-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001698589157 1406210012 /nfs/dbraw/zinc/21/00/12/1406210012.db2.gz ZCTHWGIBRSPWLX-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001698589157 1406210016 /nfs/dbraw/zinc/21/00/16/1406210016.db2.gz ZCTHWGIBRSPWLX-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001698602768 1406228976 /nfs/dbraw/zinc/22/89/76/1406228976.db2.gz OZFBBADUDJPRHM-WMZOPIPTSA-N 2 1 331.504 3.025 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001732072896 1428322365 /nfs/dbraw/zinc/32/23/65/1428322365.db2.gz JICIJWDLERUSFX-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001732091785 1428358604 /nfs/dbraw/zinc/35/86/04/1428358604.db2.gz XWIKHJOZLJUYNQ-SLFFLAALSA-N 2 1 345.531 3.305 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+][C@@H](C)c2cccc(F)c2)CCCC1 ZINC001732399579 1428565860 /nfs/dbraw/zinc/56/58/60/1428565860.db2.gz KSBAZSWOXMZHPP-INIZCTEOSA-N 2 1 349.494 3.247 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1ccc(F)cc1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001699219668 1412583774 /nfs/dbraw/zinc/58/37/74/1412583774.db2.gz FUWPHZKVHJLVBX-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP C[N@@H+](CC(=O)NCC1([NH2+]CC2CCCCCC2)CC1)CC(C)(C)C ZINC001699662429 1413047019 /nfs/dbraw/zinc/04/70/19/1413047019.db2.gz ROZSEBPQSUMLDS-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001699736787 1413148271 /nfs/dbraw/zinc/14/82/71/1413148271.db2.gz GJBDQHUIMQDMAN-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)C[C@H]1C ZINC001699742477 1413153457 /nfs/dbraw/zinc/15/34/57/1413153457.db2.gz ZHJZKFFLKSIURF-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001700196405 1413637680 /nfs/dbraw/zinc/63/76/80/1413637680.db2.gz DZJMTPKVFLCBHQ-WOJBJXKFSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)[C@H](C)C1 ZINC001700321079 1413787681 /nfs/dbraw/zinc/78/76/81/1413787681.db2.gz WNOJWBKZJOITKJ-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)[C@H](C)C1 ZINC001700321079 1413787687 /nfs/dbraw/zinc/78/76/87/1413787687.db2.gz WNOJWBKZJOITKJ-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)[C@H](C)C1 ZINC001700321079 1413787690 /nfs/dbraw/zinc/78/76/90/1413787690.db2.gz WNOJWBKZJOITKJ-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001700341430 1413822941 /nfs/dbraw/zinc/82/29/41/1413822941.db2.gz OBLGIDZKNZEBGH-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C1CCC([NH2+][C@@H](C)c2ccccc2)CC1 ZINC001700435556 1414001813 /nfs/dbraw/zinc/00/18/13/1414001813.db2.gz OZMNXBJFQOKNHG-KKXNLOMOSA-N 2 1 345.531 3.449 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001700488436 1414138265 /nfs/dbraw/zinc/13/82/65/1414138265.db2.gz YLLWGVITKMDQBI-RBUKOAKNSA-N 2 1 345.531 3.369 20 0 EGADMP C[C@@H]1CCC[C@H](CC[N@@H+](C)CCN(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001732584969 1428797207 /nfs/dbraw/zinc/79/72/07/1428797207.db2.gz DVHOZXIRMDSIKO-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001700878079 1414533929 /nfs/dbraw/zinc/53/39/29/1414533929.db2.gz GKAHXWMDNRPZAG-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1c(C)ccc2ccccc21 ZINC001732976846 1429103678 /nfs/dbraw/zinc/10/36/78/1429103678.db2.gz SDJDDLQIGUYYEH-QGZVFWFLSA-N 2 1 341.499 3.084 20 0 EGADMP CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001713136296 1417717821 /nfs/dbraw/zinc/71/78/21/1417717821.db2.gz CCKZOWHDAYXNJT-IBGZPJMESA-N 2 1 337.552 3.223 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713276520 1417896931 /nfs/dbraw/zinc/89/69/31/1417896931.db2.gz WTJXCRCISHUDOE-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1cccc(C[N@@H+]2CCC[C@H]([C@H](C)NC(=O)CCC[NH+](C)C)C2)c1 ZINC001713277523 1417900071 /nfs/dbraw/zinc/90/00/71/1417900071.db2.gz JOFKEFAWZKIOGB-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1cc(C)cc(C[N@H+](C)C[C@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001733064660 1429216805 /nfs/dbraw/zinc/21/68/05/1429216805.db2.gz BASBTRYIGUDTBE-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+](CC)[C@@H](C)c2ccccc2)C1 ZINC001713490408 1418188861 /nfs/dbraw/zinc/18/88/61/1418188861.db2.gz FDEYPBHLHJFILI-ICSRJNTNSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@H+](CC)[C@@H](C)c2ccccc2)C1 ZINC001713490408 1418188864 /nfs/dbraw/zinc/18/88/64/1418188864.db2.gz FDEYPBHLHJFILI-ICSRJNTNSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@@H+](CC)[C@@H](C)c2ccccc2)C1 ZINC001713490408 1418188867 /nfs/dbraw/zinc/18/88/67/1418188867.db2.gz FDEYPBHLHJFILI-ICSRJNTNSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)CC1CCCCCC1 ZINC001713546835 1418317829 /nfs/dbraw/zinc/31/78/29/1418317829.db2.gz AKUGFWRUQYVBRB-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001713791230 1418609370 /nfs/dbraw/zinc/60/93/70/1418609370.db2.gz SGTNQNRGRINOBQ-RTBURBONSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC001713791230 1418609371 /nfs/dbraw/zinc/60/93/71/1418609371.db2.gz SGTNQNRGRINOBQ-RTBURBONSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001713791230 1418609372 /nfs/dbraw/zinc/60/93/72/1418609372.db2.gz SGTNQNRGRINOBQ-RTBURBONSA-N 2 1 345.531 3.369 20 0 EGADMP C[NH+](CCC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1)C1CCCCC1 ZINC001713893710 1418690219 /nfs/dbraw/zinc/69/02/19/1418690219.db2.gz AAPBTFOVPOXUQN-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001713893710 1418690221 /nfs/dbraw/zinc/69/02/21/1418690221.db2.gz AAPBTFOVPOXUQN-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001713893710 1418690223 /nfs/dbraw/zinc/69/02/23/1418690223.db2.gz AAPBTFOVPOXUQN-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001713897196 1418696073 /nfs/dbraw/zinc/69/60/73/1418696073.db2.gz HWUGMLKMPRPSDX-MOPGFXCFSA-N 2 1 345.531 3.260 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001714036005 1418824324 /nfs/dbraw/zinc/82/43/24/1418824324.db2.gz PKXSWWGEACUGKR-MSOLQXFVSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001714036005 1418824328 /nfs/dbraw/zinc/82/43/28/1418824328.db2.gz PKXSWWGEACUGKR-MSOLQXFVSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001714036005 1418824330 /nfs/dbraw/zinc/82/43/30/1418824330.db2.gz PKXSWWGEACUGKR-MSOLQXFVSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001714050512 1418849456 /nfs/dbraw/zinc/84/94/56/1418849456.db2.gz YVWSMLBLZCEBBQ-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC001714050512 1418849457 /nfs/dbraw/zinc/84/94/57/1418849457.db2.gz YVWSMLBLZCEBBQ-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001714050512 1418849458 /nfs/dbraw/zinc/84/94/58/1418849458.db2.gz YVWSMLBLZCEBBQ-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCC[N@H+]2CCC2CC2)CCCCC1 ZINC001714109136 1418909667 /nfs/dbraw/zinc/90/96/67/1418909667.db2.gz GKHZXUJIJYOUNM-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C[NH2+]CC1CCCCC1 ZINC001714453456 1419185988 /nfs/dbraw/zinc/18/59/88/1419185988.db2.gz NCORENJDLMZSMY-YLJYHZDGSA-N 2 1 345.531 3.212 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)cc1 ZINC001714536796 1419262994 /nfs/dbraw/zinc/26/29/94/1419262994.db2.gz IEBAQNDQHWQCOY-QFBILLFUSA-N 2 1 331.504 3.013 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+](C)CCNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001714536796 1419262995 /nfs/dbraw/zinc/26/29/95/1419262995.db2.gz IEBAQNDQHWQCOY-QFBILLFUSA-N 2 1 331.504 3.013 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+](C)CCNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001714536796 1419262998 /nfs/dbraw/zinc/26/29/98/1419262998.db2.gz IEBAQNDQHWQCOY-QFBILLFUSA-N 2 1 331.504 3.013 20 0 EGADMP CC[C@H](C(=O)NCC[N@@H+](C)Cc1c(C)c(C)c(C)c(C)c1C)[NH+](C)C ZINC001714552274 1419280004 /nfs/dbraw/zinc/28/00/04/1419280004.db2.gz IDFMGGGQLFQPOE-HXUWFJFHSA-N 2 1 347.547 3.117 20 0 EGADMP Cc1ccccc1C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001714620388 1419386136 /nfs/dbraw/zinc/38/61/36/1419386136.db2.gz MMEXOUMGZVEJRC-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001714620388 1419386138 /nfs/dbraw/zinc/38/61/38/1419386138.db2.gz MMEXOUMGZVEJRC-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001714620388 1419386142 /nfs/dbraw/zinc/38/61/42/1419386142.db2.gz MMEXOUMGZVEJRC-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001714762015 1419497550 /nfs/dbraw/zinc/49/75/50/1419497550.db2.gz BMSJVCOEGPCYFG-AZUAARDMSA-N 2 1 345.531 3.367 20 0 EGADMP CN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001715017403 1419747672 /nfs/dbraw/zinc/74/76/72/1419747672.db2.gz FPJSKEPTFJQNTO-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001715017403 1419747679 /nfs/dbraw/zinc/74/76/79/1419747679.db2.gz FPJSKEPTFJQNTO-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001715017403 1419747686 /nfs/dbraw/zinc/74/76/86/1419747686.db2.gz FPJSKEPTFJQNTO-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001715033369 1419766534 /nfs/dbraw/zinc/76/65/34/1419766534.db2.gz VYOHJQDWVRZPMV-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC2CCCCC2)C1 ZINC001715322265 1420029662 /nfs/dbraw/zinc/02/96/62/1420029662.db2.gz QDDXKNXVQDCKHZ-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCC2CCCC2)C1 ZINC001715457500 1420138373 /nfs/dbraw/zinc/13/83/73/1420138373.db2.gz GRGPVZAVYSQAJS-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@H]21 ZINC001715541629 1420239615 /nfs/dbraw/zinc/23/96/15/1420239615.db2.gz AZAKURBALPPRJU-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)CC[C@H]21 ZINC001715541629 1420239617 /nfs/dbraw/zinc/23/96/17/1420239617.db2.gz AZAKURBALPPRJU-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)CC[C@H]21 ZINC001715541629 1420239621 /nfs/dbraw/zinc/23/96/21/1420239621.db2.gz AZAKURBALPPRJU-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CC2CCCCCC2)C1 ZINC001715548345 1420244964 /nfs/dbraw/zinc/24/49/64/1420244964.db2.gz KXKCNYWPLCZEPR-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC2CCCCCC2)C1 ZINC001715548345 1420244966 /nfs/dbraw/zinc/24/49/66/1420244966.db2.gz KXKCNYWPLCZEPR-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC2CCCCCC2)C1 ZINC001715548345 1420244969 /nfs/dbraw/zinc/24/49/69/1420244969.db2.gz KXKCNYWPLCZEPR-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC001716001706 1420455542 /nfs/dbraw/zinc/45/55/42/1420455542.db2.gz YTEBVDORGCSOLY-DLBZAZTESA-N 2 1 341.499 3.337 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCCC(C)(C)C)C1 ZINC001716051943 1420516313 /nfs/dbraw/zinc/51/63/13/1420516313.db2.gz UCUHORUMVCHBDT-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001716065134 1420523771 /nfs/dbraw/zinc/52/37/71/1420523771.db2.gz JHVGUIXETYNKHC-MJGOQNOKSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C)c(C)c1 ZINC001716074145 1420529149 /nfs/dbraw/zinc/52/91/49/1420529149.db2.gz WEEIVDKIRIBQAW-UXHICEINSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001716502223 1420729881 /nfs/dbraw/zinc/72/98/81/1420729881.db2.gz NUYYDTHBBMRGPW-MSOLQXFVSA-N 2 1 345.531 3.305 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2CC2CCC(C)(C)CC2)CC1 ZINC001716666272 1420820701 /nfs/dbraw/zinc/82/07/01/1420820701.db2.gz CRNORGMUZGEYFW-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001716767281 1420912686 /nfs/dbraw/zinc/91/26/86/1420912686.db2.gz JUCWBDFLTUHMQG-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1(C)CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001716799471 1420932620 /nfs/dbraw/zinc/93/26/20/1420932620.db2.gz GAVUHBXQFZRAFH-UHFFFAOYSA-N 2 1 345.531 3.116 20 0 EGADMP C[NH+](C)C1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCCC(C)(C)C)CCC1 ZINC001716827564 1420953212 /nfs/dbraw/zinc/95/32/12/1420953212.db2.gz ZKFNJSSMJGGHHD-MSOLQXFVSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](CC[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001717106482 1421112535 /nfs/dbraw/zinc/11/25/35/1421112535.db2.gz AROUOZASQGCMPS-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001717217549 1421195520 /nfs/dbraw/zinc/19/55/20/1421195520.db2.gz SKLYERZVEVZHCU-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001717217549 1421195522 /nfs/dbraw/zinc/19/55/22/1421195522.db2.gz SKLYERZVEVZHCU-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001717217549 1421195523 /nfs/dbraw/zinc/19/55/23/1421195523.db2.gz SKLYERZVEVZHCU-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC001717747736 1421610367 /nfs/dbraw/zinc/61/03/67/1421610367.db2.gz RXKBEZHZHFTPFC-SJORKVTESA-N 2 1 342.487 3.169 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2C(C)C)C[C@H]1C ZINC001717828994 1421642240 /nfs/dbraw/zinc/64/22/40/1421642240.db2.gz ZMBKNEHFJOMFAT-IEBWSBKVSA-N 2 1 345.531 3.231 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC1CCCC1)C1CCCC1 ZINC001733378573 1429562309 /nfs/dbraw/zinc/56/23/09/1429562309.db2.gz AYFUKYADIVJHTH-PMACEKPBSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2([NH2+]CC3CCCCCC3)CC2)C1 ZINC001723552125 1424460879 /nfs/dbraw/zinc/46/08/79/1424460879.db2.gz MPGBITWTFLBNPG-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CCc1ccc(C[NH+](C)C[C@@H]2CCCN2C(=O)CC[N@H+](C)CC)cc1 ZINC001725047295 1425477241 /nfs/dbraw/zinc/47/72/41/1425477241.db2.gz FZRZATRPDLLWAQ-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CC[NH+](C)CC)cc1 ZINC001725047295 1425477244 /nfs/dbraw/zinc/47/72/44/1425477244.db2.gz FZRZATRPDLLWAQ-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CC[NH+](C)CC)cc1 ZINC001725047295 1425477250 /nfs/dbraw/zinc/47/72/50/1425477250.db2.gz FZRZATRPDLLWAQ-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)CC(C)(C)C[NH2+][C@@H](C)c1ccccc1 ZINC001725146242 1425628387 /nfs/dbraw/zinc/62/83/87/1425628387.db2.gz GEBSHLBKZCJCFI-INIZCTEOSA-N 2 1 342.487 3.027 20 0 EGADMP CC[C@H](C(=O)N1CCC([N@@H+](C)Cc2ccccc2)CC1)[NH+](CC)CC ZINC001725425609 1426085320 /nfs/dbraw/zinc/08/53/20/1426085320.db2.gz UJAPQFUTJXERSV-HXUWFJFHSA-N 2 1 345.531 3.230 20 0 EGADMP C[C@H]1[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001725561234 1426224818 /nfs/dbraw/zinc/22/48/18/1426224818.db2.gz AJZPUBCBNNKRAH-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CCC[N@H+]1CCC1CC1 ZINC001725613111 1426274174 /nfs/dbraw/zinc/27/41/74/1426274174.db2.gz AYFXWRSDWKIFNC-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CCC[NH+]1CCC1CC1 ZINC001725613111 1426274176 /nfs/dbraw/zinc/27/41/76/1426274176.db2.gz AYFXWRSDWKIFNC-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CCC[NH+]1CCC1CC1 ZINC001725613111 1426274181 /nfs/dbraw/zinc/27/41/81/1426274181.db2.gz AYFXWRSDWKIFNC-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)C1)CC(C)(C)C ZINC001731354274 1427293826 /nfs/dbraw/zinc/29/38/26/1427293826.db2.gz FCPFGWWYHPKZMQ-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1)CC(C)(C)C ZINC001731354274 1427293827 /nfs/dbraw/zinc/29/38/27/1427293827.db2.gz FCPFGWWYHPKZMQ-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1)CC(C)(C)C ZINC001731354274 1427293833 /nfs/dbraw/zinc/29/38/33/1427293833.db2.gz FCPFGWWYHPKZMQ-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C1CC[NH+](CC(C)C)CC1 ZINC001731387657 1427335767 /nfs/dbraw/zinc/33/57/67/1427335767.db2.gz SRZZUEJEPIVNBC-UHFFFAOYSA-N 2 1 348.535 3.366 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)Cc2ccc(C)cc2)C1 ZINC001731417146 1427388451 /nfs/dbraw/zinc/38/84/51/1427388451.db2.gz BOIYHIFAIXFWIO-FQEVSTJZSA-N 2 1 345.531 3.007 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(C)cc2)C1 ZINC001731417146 1427388454 /nfs/dbraw/zinc/38/84/54/1427388454.db2.gz BOIYHIFAIXFWIO-FQEVSTJZSA-N 2 1 345.531 3.007 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(C)cc2)C1 ZINC001731417146 1427388460 /nfs/dbraw/zinc/38/84/60/1427388460.db2.gz BOIYHIFAIXFWIO-FQEVSTJZSA-N 2 1 345.531 3.007 20 0 EGADMP C[NH+](C)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001731464073 1427441643 /nfs/dbraw/zinc/44/16/43/1427441643.db2.gz ZJCIARPFQCIUKS-YQQQUEKLSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001731721654 1427793664 /nfs/dbraw/zinc/79/36/64/1427793664.db2.gz XCAAKXJBRXFXPT-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001731721654 1427793668 /nfs/dbraw/zinc/79/36/68/1427793668.db2.gz XCAAKXJBRXFXPT-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001731721654 1427793670 /nfs/dbraw/zinc/79/36/70/1427793670.db2.gz XCAAKXJBRXFXPT-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001731811950 1427995913 /nfs/dbraw/zinc/99/59/13/1427995913.db2.gz ZFJVHPOASPFLCD-VQIMIIECSA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](CC)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001731811950 1427995915 /nfs/dbraw/zinc/99/59/15/1427995915.db2.gz ZFJVHPOASPFLCD-VQIMIIECSA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](CC)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001731811950 1427995917 /nfs/dbraw/zinc/99/59/17/1427995917.db2.gz ZFJVHPOASPFLCD-VQIMIIECSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@H](C)c1cccc(C)c1 ZINC001731873723 1428134139 /nfs/dbraw/zinc/13/41/39/1428134139.db2.gz OQGBELXZGGKRSA-QGZVFWFLSA-N 2 1 342.487 3.089 20 0 EGADMP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@H](C)c1cccc(C)c1 ZINC001731873723 1428134141 /nfs/dbraw/zinc/13/41/41/1428134141.db2.gz OQGBELXZGGKRSA-QGZVFWFLSA-N 2 1 342.487 3.089 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001733783039 1430050434 /nfs/dbraw/zinc/05/04/34/1430050434.db2.gz VJOFEEHTCCQFHN-RBUKOAKNSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001733783039 1430050446 /nfs/dbraw/zinc/05/04/46/1430050446.db2.gz VJOFEEHTCCQFHN-RBUKOAKNSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001733783039 1430050449 /nfs/dbraw/zinc/05/04/49/1430050449.db2.gz VJOFEEHTCCQFHN-RBUKOAKNSA-N 2 1 337.552 3.079 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@@H](C)CC(C)C)CC1(C)C ZINC001733877583 1437704864 /nfs/dbraw/zinc/70/48/64/1437704864.db2.gz CPRWKCILWPURQL-ROUUACIJSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](C[C@@H](C)CC(C)C)CC1(C)C ZINC001733877583 1437704866 /nfs/dbraw/zinc/70/48/66/1437704866.db2.gz CPRWKCILWPURQL-ROUUACIJSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](C[C@@H](C)CC(C)C)CC1(C)C ZINC001733877583 1437704867 /nfs/dbraw/zinc/70/48/67/1437704867.db2.gz CPRWKCILWPURQL-ROUUACIJSA-N 2 1 339.568 3.227 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CCCC1 ZINC001734105011 1437891312 /nfs/dbraw/zinc/89/13/12/1437891312.db2.gz ZEIOXGBXOZLHQD-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP C[C@@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)[NH2+]CCC1CCCCCC1 ZINC001734327689 1438052669 /nfs/dbraw/zinc/05/26/69/1438052669.db2.gz CGOAOJCGUUBXIL-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001734343991 1438063720 /nfs/dbraw/zinc/06/37/20/1438063720.db2.gz NNOMZBQNRNHUMD-ZWKOTPCHSA-N 2 1 347.547 3.470 20 0 EGADMP C[N@@H+](CC(=O)N[C@H](C[NH2+]CC1CCCCC1)C(C)(C)C)C1CCC1 ZINC001734560719 1438158696 /nfs/dbraw/zinc/15/86/96/1438158696.db2.gz HQXPLAKJPGJIEV-GOSISDBHSA-N 2 1 337.552 3.172 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+](C)CCCNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001751989269 1440131342 /nfs/dbraw/zinc/13/13/42/1440131342.db2.gz KUIISHHLYJJKQL-GOSISDBHSA-N 2 1 345.531 3.287 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+](C)CCCNC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001751989269 1440131344 /nfs/dbraw/zinc/13/13/44/1440131344.db2.gz KUIISHHLYJJKQL-GOSISDBHSA-N 2 1 345.531 3.287 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@@H+](C)CCC1CCCCC1 ZINC001752121680 1440142627 /nfs/dbraw/zinc/14/26/27/1440142627.db2.gz MOOSEUPFWLZBIQ-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)C1CC[NH+](CCF)CC1 ZINC001752441715 1440181465 /nfs/dbraw/zinc/18/14/65/1440181465.db2.gz KQJXTDOCOMUAFF-UHFFFAOYSA-N 2 1 349.494 3.034 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCC1CCCC1)C1CC1 ZINC001752520463 1440192441 /nfs/dbraw/zinc/19/24/41/1440192441.db2.gz YYKHXFHPPBVDFW-PMACEKPBSA-N 2 1 349.563 3.314 20 0 EGADMP CCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001752526417 1440193099 /nfs/dbraw/zinc/19/30/99/1440193099.db2.gz UVROEUNQDTUWHU-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCC3CCCC3)CC[C@H]21 ZINC001752706870 1440202779 /nfs/dbraw/zinc/20/27/79/1440202779.db2.gz KKQPLHFDEUJZFC-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]2C[N@H+](CCC3CCCC3)CC[C@H]21 ZINC001752706870 1440202780 /nfs/dbraw/zinc/20/27/80/1440202780.db2.gz KKQPLHFDEUJZFC-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]2C[N@@H+](CCC3CCCC3)CC[C@H]21 ZINC001752706870 1440202781 /nfs/dbraw/zinc/20/27/81/1440202781.db2.gz KKQPLHFDEUJZFC-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001752787136 1440211965 /nfs/dbraw/zinc/21/19/65/1440211965.db2.gz HGDYGALJRIVYRZ-UYAOXDASSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001752787136 1440211966 /nfs/dbraw/zinc/21/19/66/1440211966.db2.gz HGDYGALJRIVYRZ-UYAOXDASSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001752787136 1440211967 /nfs/dbraw/zinc/21/19/67/1440211967.db2.gz HGDYGALJRIVYRZ-UYAOXDASSA-N 2 1 347.547 3.047 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001752790093 1440213465 /nfs/dbraw/zinc/21/34/65/1440213465.db2.gz RJTDIMLVUCDNDB-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001752790093 1440213466 /nfs/dbraw/zinc/21/34/66/1440213466.db2.gz RJTDIMLVUCDNDB-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001752790093 1440213467 /nfs/dbraw/zinc/21/34/67/1440213467.db2.gz RJTDIMLVUCDNDB-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](C[NH2+]CCCC3CCCC3)C2)C1 ZINC001752809506 1440216357 /nfs/dbraw/zinc/21/63/57/1440216357.db2.gz FNVKCKMDTVFYSL-PMACEKPBSA-N 2 1 349.563 3.127 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001752837328 1440228616 /nfs/dbraw/zinc/22/86/16/1440228616.db2.gz SCQYAQYRMGCYII-ZSQQTYLHSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC001752854672 1440234623 /nfs/dbraw/zinc/23/46/23/1440234623.db2.gz QYHHVTSFJIVEIB-UHFFFAOYSA-N 2 1 349.494 3.075 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC2CC2)C1)C1CCCCC1 ZINC001752973227 1440255541 /nfs/dbraw/zinc/25/55/41/1440255541.db2.gz GHKYTEZMQYNTFN-MOPGFXCFSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001752996597 1440262294 /nfs/dbraw/zinc/26/22/94/1440262294.db2.gz GWEZHDPGOVLUSA-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP Cc1cccc([C@@H](C)[NH+](C)[C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001752999440 1440263691 /nfs/dbraw/zinc/26/36/91/1440263691.db2.gz ADMHXPQMVNTNED-QUCCMNQESA-N 2 1 345.531 3.319 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)[C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001752999440 1440263692 /nfs/dbraw/zinc/26/36/92/1440263692.db2.gz ADMHXPQMVNTNED-QUCCMNQESA-N 2 1 345.531 3.319 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)[C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001752999440 1440263693 /nfs/dbraw/zinc/26/36/93/1440263693.db2.gz ADMHXPQMVNTNED-QUCCMNQESA-N 2 1 345.531 3.319 20 0 EGADMP CCc1ccccc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001753020137 1440269617 /nfs/dbraw/zinc/26/96/17/1440269617.db2.gz DFBLPLCMNMAINA-XLIONFOSSA-N 2 1 345.531 3.108 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001753105242 1440305998 /nfs/dbraw/zinc/30/59/98/1440305998.db2.gz ANQCZLIRQZORHD-RTBURBONSA-N 2 1 335.536 3.164 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001753105242 1440305999 /nfs/dbraw/zinc/30/59/99/1440305999.db2.gz ANQCZLIRQZORHD-RTBURBONSA-N 2 1 335.536 3.164 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001753105242 1440306000 /nfs/dbraw/zinc/30/60/00/1440306000.db2.gz ANQCZLIRQZORHD-RTBURBONSA-N 2 1 335.536 3.164 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001753136191 1440318913 /nfs/dbraw/zinc/31/89/13/1440318913.db2.gz UJLUGZLFJRVREP-HEVSSNLLSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001753136191 1440318914 /nfs/dbraw/zinc/31/89/14/1440318914.db2.gz UJLUGZLFJRVREP-HEVSSNLLSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001753136191 1440318915 /nfs/dbraw/zinc/31/89/15/1440318915.db2.gz UJLUGZLFJRVREP-HEVSSNLLSA-N 2 1 349.563 3.434 20 0 EGADMP CC1CC(C[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C2CC2)C1 ZINC001753155872 1440330921 /nfs/dbraw/zinc/33/09/21/1440330921.db2.gz JRDAMTUHBPTDIQ-LBXVMSDZSA-N 2 1 347.547 3.020 20 0 EGADMP CC1CC(C[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C2CC2)C1 ZINC001753155872 1440330922 /nfs/dbraw/zinc/33/09/22/1440330922.db2.gz JRDAMTUHBPTDIQ-LBXVMSDZSA-N 2 1 347.547 3.020 20 0 EGADMP CC1CC(C[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C2CC2)C1 ZINC001753155872 1440330923 /nfs/dbraw/zinc/33/09/23/1440330923.db2.gz JRDAMTUHBPTDIQ-LBXVMSDZSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]([NH2+]CCC(C)(C)C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001753273830 1440345843 /nfs/dbraw/zinc/34/58/43/1440345843.db2.gz MUZICSFZIWSYNN-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001753283373 1440348084 /nfs/dbraw/zinc/34/80/84/1440348084.db2.gz QEFAMLCVOLZGKY-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP CCCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001753320060 1440362752 /nfs/dbraw/zinc/36/27/52/1440362752.db2.gz SJWZMPHLKDYXJV-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)CC[N@H+](C)CC)[C@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001753320060 1440362753 /nfs/dbraw/zinc/36/27/53/1440362753.db2.gz SJWZMPHLKDYXJV-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)CC[N@@H+](C)CC)[C@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001753320060 1440362754 /nfs/dbraw/zinc/36/27/54/1440362754.db2.gz SJWZMPHLKDYXJV-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001753325777 1440366566 /nfs/dbraw/zinc/36/65/66/1440366566.db2.gz DGGCTFNSHGZLRW-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)[C@@H]1CC[NH+](CCCC(C)C)C1 ZINC001753325777 1440366567 /nfs/dbraw/zinc/36/65/67/1440366567.db2.gz DGGCTFNSHGZLRW-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)[C@@H]1CC[NH+](CCCC(C)C)C1 ZINC001753325777 1440366568 /nfs/dbraw/zinc/36/65/68/1440366568.db2.gz DGGCTFNSHGZLRW-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC/C=C/CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001753328961 1440368212 /nfs/dbraw/zinc/36/82/12/1440368212.db2.gz QYSJXHXONWUIJC-HBCQFFLPSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001753328961 1440368213 /nfs/dbraw/zinc/36/82/13/1440368213.db2.gz QYSJXHXONWUIJC-HBCQFFLPSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001753328961 1440368214 /nfs/dbraw/zinc/36/82/14/1440368214.db2.gz QYSJXHXONWUIJC-HBCQFFLPSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C\CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001753328963 1440368228 /nfs/dbraw/zinc/36/82/28/1440368228.db2.gz QYSJXHXONWUIJC-RZZOZFHJSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001753328963 1440368229 /nfs/dbraw/zinc/36/82/29/1440368229.db2.gz QYSJXHXONWUIJC-RZZOZFHJSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001753328963 1440368230 /nfs/dbraw/zinc/36/82/30/1440368230.db2.gz QYSJXHXONWUIJC-RZZOZFHJSA-N 2 1 349.563 3.386 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001753403695 1440391489 /nfs/dbraw/zinc/39/14/89/1440391489.db2.gz FXYDTSHKIXKEQQ-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001753428908 1440397969 /nfs/dbraw/zinc/39/79/69/1440397969.db2.gz FTRPXMNXMXHCNL-GUDVDZBRSA-N 2 1 349.494 3.054 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753438486 1440400731 /nfs/dbraw/zinc/40/07/31/1440400731.db2.gz AHJDPJVAJKUQMV-MSOLQXFVSA-N 2 1 343.515 3.073 20 0 EGADMP CCCCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001753460575 1440410486 /nfs/dbraw/zinc/41/04/86/1440410486.db2.gz BPQZKHZWRROPQC-SFHVURJKSA-N 2 1 342.487 3.369 20 0 EGADMP CCC(CC)C[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC001753507188 1440424773 /nfs/dbraw/zinc/42/47/73/1440424773.db2.gz PIJSECTYVVXIRN-WMZOPIPTSA-N 2 1 337.552 3.172 20 0 EGADMP C[N@@H+](CC(=O)N[C@@](C)(C[NH2+]CC1CCCC1)C1CC1)CC(C)(C)C ZINC001753524482 1440429214 /nfs/dbraw/zinc/42/92/14/1440429214.db2.gz FOWFQAKVOVCUED-FQEVSTJZSA-N 2 1 337.552 3.029 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001753586784 1440441598 /nfs/dbraw/zinc/44/15/98/1440441598.db2.gz BIRQXZJRBYYDNO-WGSAOQKQSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001753595128 1440444284 /nfs/dbraw/zinc/44/42/84/1440444284.db2.gz QORAILYYNNZJSX-LJQANCHMSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001753598527 1440445537 /nfs/dbraw/zinc/44/55/37/1440445537.db2.gz KNJXMAIQEBZVHM-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001753639488 1440454088 /nfs/dbraw/zinc/45/40/88/1440454088.db2.gz HBEXCBZPAAOILC-MJGOQNOKSA-N 2 1 349.563 3.031 20 0 EGADMP CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001753729682 1440475517 /nfs/dbraw/zinc/47/55/17/1440475517.db2.gz PGLSBVPJPDNHMH-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CC[NH2+]C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C1CCCCC1 ZINC001753746045 1440481053 /nfs/dbraw/zinc/48/10/53/1440481053.db2.gz MUJMBDKUGMSKOD-NVXWUHKLSA-N 2 1 334.508 3.071 20 0 EGADMP CC(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001753784916 1440487991 /nfs/dbraw/zinc/48/79/91/1440487991.db2.gz MCYGFAODFBISFA-KRWDZBQOSA-N 2 1 334.508 3.023 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+][C@H](C)c1ccccc1 ZINC001753788469 1440488531 /nfs/dbraw/zinc/48/85/31/1440488531.db2.gz PRENIWVAEDBVJX-UYAOXDASSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CC1CC2(CCC2)C1 ZINC001753788703 1440488741 /nfs/dbraw/zinc/48/87/41/1440488741.db2.gz SOGFGYXDWFESMC-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001753818663 1440495144 /nfs/dbraw/zinc/49/51/44/1440495144.db2.gz YXDYCWKLQSVXCX-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001753818663 1440495145 /nfs/dbraw/zinc/49/51/45/1440495145.db2.gz YXDYCWKLQSVXCX-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001753818663 1440495146 /nfs/dbraw/zinc/49/51/46/1440495146.db2.gz YXDYCWKLQSVXCX-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001753819739 1440495203 /nfs/dbraw/zinc/49/52/03/1440495203.db2.gz BPRVLAJAYPNNCJ-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP C[C@@H](C(=O)N(C)CC[N@@H+](C)CC1=CCCCC1)[NH+]1CCCCCC1 ZINC001753864859 1440513842 /nfs/dbraw/zinc/51/38/42/1440513842.db2.gz YKYAEPMFXVSTHT-SFHVURJKSA-N 2 1 335.536 3.142 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2[C@H](CC[NH+]2CCCC2CCCC2)C1 ZINC001753877779 1440520027 /nfs/dbraw/zinc/52/00/27/1440520027.db2.gz JOFPMYNYJYGLDN-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCCC2CCCC2)C1 ZINC001753877779 1440520028 /nfs/dbraw/zinc/52/00/28/1440520028.db2.gz JOFPMYNYJYGLDN-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCCC2CCCC2)C1 ZINC001753877779 1440520029 /nfs/dbraw/zinc/52/00/29/1440520029.db2.gz JOFPMYNYJYGLDN-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP O=C(NC/C=C\C[NH2+]CCC1CCCCC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001754180362 1440548106 /nfs/dbraw/zinc/54/81/06/1440548106.db2.gz AGZJTMMYKYCOKR-UNQUKWGNSA-N 2 1 347.547 3.236 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001754249780 1440557535 /nfs/dbraw/zinc/55/75/35/1440557535.db2.gz OWJROWMGRJSPPP-WWDZGPRUSA-N 2 1 339.568 3.275 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cc(C)ccc1C ZINC001754309683 1440572517 /nfs/dbraw/zinc/57/25/17/1440572517.db2.gz DLVTWGZTNHALES-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1cc(C)ccc1C ZINC001754309683 1440572518 /nfs/dbraw/zinc/57/25/18/1440572518.db2.gz DLVTWGZTNHALES-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(C)ccc1C ZINC001754309683 1440572519 /nfs/dbraw/zinc/57/25/19/1440572519.db2.gz DLVTWGZTNHALES-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H](C[N@@H+](C)[C@H](C)c1ccc(F)cc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754329350 1440582746 /nfs/dbraw/zinc/58/27/46/1440582746.db2.gz ZWHNEUPRWQHGQL-IAGOWNOFSA-N 2 1 349.494 3.055 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC1CCCCCC1 ZINC001754335998 1440586574 /nfs/dbraw/zinc/58/65/74/1440586574.db2.gz JLBHXCREYFOTBC-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CCCCCC1 ZINC001754335998 1440586575 /nfs/dbraw/zinc/58/65/75/1440586575.db2.gz JLBHXCREYFOTBC-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1CCCCCC1 ZINC001754335998 1440586576 /nfs/dbraw/zinc/58/65/76/1440586576.db2.gz JLBHXCREYFOTBC-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001754350867 1440590838 /nfs/dbraw/zinc/59/08/38/1440590838.db2.gz GQUHIIHAKWEDJL-ROUUACIJSA-N 2 1 348.535 3.282 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCCN(C)C(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001754395966 1440594648 /nfs/dbraw/zinc/59/46/48/1440594648.db2.gz WIPDPKWBZIGMAP-UHFFFAOYSA-N 2 1 347.547 3.219 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH2+]CCC2CCCCC2)C2CC2)CC[N@H+]1C ZINC001754449530 1440600704 /nfs/dbraw/zinc/60/07/04/1440600704.db2.gz TWFPMNAWGZXLIU-VDGAXYAQSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001754470858 1440605399 /nfs/dbraw/zinc/60/53/99/1440605399.db2.gz RTOQXACDZLVYKN-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001754505073 1440616023 /nfs/dbraw/zinc/61/60/23/1440616023.db2.gz PZMCRPGUSMCDKQ-QUCCMNQESA-N 2 1 343.515 3.204 20 0 EGADMP C[C@H]([NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1)c1ccccc1F ZINC001754525239 1440620736 /nfs/dbraw/zinc/62/07/36/1440620736.db2.gz IHFJYXZUEBGMLQ-HNNXBMFYSA-N 2 1 349.494 3.103 20 0 EGADMP Cc1ccc(C[NH2+]C2(CNC(=O)C[N@H+](C)CC(C)(C)C)CC2)cc1C ZINC001754525490 1440620875 /nfs/dbraw/zinc/62/08/75/1440620875.db2.gz RWPHHZAAGBDNEW-UHFFFAOYSA-N 2 1 345.531 3.020 20 0 EGADMP CCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC ZINC001754543898 1440626863 /nfs/dbraw/zinc/62/68/63/1440626863.db2.gz IDMGYVUWTNJQEN-QYZOEREBSA-N 2 1 337.552 3.362 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC2(C1)CC[NH+](CCC1CCCC1)CC2 ZINC001754561243 1440633670 /nfs/dbraw/zinc/63/36/70/1440633670.db2.gz NGZQRLQHSBMKQO-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001754613824 1440644280 /nfs/dbraw/zinc/64/42/80/1440644280.db2.gz ZJNSVBHIWKWFLW-SFHVURJKSA-N 2 1 337.552 3.410 20 0 EGADMP CCCCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001754670256 1440657850 /nfs/dbraw/zinc/65/78/50/1440657850.db2.gz MFQOWIMDSFBDCZ-RXVVDRJESA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001754670256 1440657851 /nfs/dbraw/zinc/65/78/51/1440657851.db2.gz MFQOWIMDSFBDCZ-RXVVDRJESA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001754670256 1440657852 /nfs/dbraw/zinc/65/78/52/1440657852.db2.gz MFQOWIMDSFBDCZ-RXVVDRJESA-N 2 1 349.563 3.412 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001754674742 1440659435 /nfs/dbraw/zinc/65/94/35/1440659435.db2.gz BFBQVMXFWRXJHA-QRMWTIMZSA-N 2 1 335.536 3.188 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001754674742 1440659436 /nfs/dbraw/zinc/65/94/36/1440659436.db2.gz BFBQVMXFWRXJHA-QRMWTIMZSA-N 2 1 335.536 3.188 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001754674742 1440659437 /nfs/dbraw/zinc/65/94/37/1440659437.db2.gz BFBQVMXFWRXJHA-QRMWTIMZSA-N 2 1 335.536 3.188 20 0 EGADMP C[N@@H+](CC(=O)N[C@@]1(C)CC[NH+](CCC2=CCCCC2)C1)CC(C)(C)C ZINC001754679961 1440661791 /nfs/dbraw/zinc/66/17/91/1440661791.db2.gz DKXPGYYVGOCCHH-NRFANRHFSA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+](CC(=O)N[C@@]1(C)CC[N@H+](CCC2=CCCCC2)C1)CC(C)(C)C ZINC001754679961 1440661792 /nfs/dbraw/zinc/66/17/92/1440661792.db2.gz DKXPGYYVGOCCHH-NRFANRHFSA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+](CC(=O)N[C@@]1(C)CC[N@@H+](CCC2=CCCCC2)C1)CC(C)(C)C ZINC001754679961 1440661793 /nfs/dbraw/zinc/66/17/93/1440661793.db2.gz DKXPGYYVGOCCHH-NRFANRHFSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@](C)(C[NH2+]CC2CCCC2)C1 ZINC001754709461 1440669886 /nfs/dbraw/zinc/66/98/86/1440669886.db2.gz ZTSTWVIOTOOFNH-FQEVSTJZSA-N 2 1 346.519 3.025 20 0 EGADMP CCC[N@H+]1CCC[C@](C)(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001754735803 1440682288 /nfs/dbraw/zinc/68/22/88/1440682288.db2.gz LAKDUOCABSBERS-OAQYLSRUSA-N 2 1 345.531 3.033 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CC3)CC2)C1 ZINC001754955767 1440716381 /nfs/dbraw/zinc/71/63/81/1440716381.db2.gz QZLVVAKZOSJXLD-UFYCRDLUSA-N 2 1 349.563 3.173 20 0 EGADMP C[N@@H+](CC(=O)NCC1([NH2+]CCC2CCCCC2)CCC1)C1CCC1 ZINC001754982360 1440721638 /nfs/dbraw/zinc/72/16/38/1440721638.db2.gz UMIKDUYGNUUTGC-UHFFFAOYSA-N 2 1 335.536 3.070 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CCCC(C)(C)C)CCC2)CC[N@H+]1C ZINC001754985110 1440722386 /nfs/dbraw/zinc/72/23/86/1440722386.db2.gz IFSFWJUMSCPILU-IRXDYDNUSA-N 2 1 337.552 3.172 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001755024560 1440728025 /nfs/dbraw/zinc/72/80/25/1440728025.db2.gz CRYPFVPQHZDYKP-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001755024560 1440728026 /nfs/dbraw/zinc/72/80/26/1440728026.db2.gz CRYPFVPQHZDYKP-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001755024560 1440728027 /nfs/dbraw/zinc/72/80/27/1440728027.db2.gz CRYPFVPQHZDYKP-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CC1CC(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)CCCC[NH+](C)C)C3)C1 ZINC001755079761 1440750447 /nfs/dbraw/zinc/75/04/47/1440750447.db2.gz QGIIUXGXXKHVNX-GRERDSQWSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)CC1(C)C ZINC001755143395 1440761963 /nfs/dbraw/zinc/76/19/63/1440761963.db2.gz YHTZLHXDZJTDKE-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001755161975 1440765031 /nfs/dbraw/zinc/76/50/31/1440765031.db2.gz OVMJRVAPNGLKCL-DSQZMVHQSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@H+]1CC1CCCC1 ZINC001755165857 1440767143 /nfs/dbraw/zinc/76/71/43/1440767143.db2.gz SYNORJJIXNDMGN-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001755166487 1440767316 /nfs/dbraw/zinc/76/73/16/1440767316.db2.gz DDXFBGMQIVZIRJ-QZTJIDSGSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001755166487 1440767317 /nfs/dbraw/zinc/76/73/17/1440767317.db2.gz DDXFBGMQIVZIRJ-QZTJIDSGSA-N 2 1 348.535 3.412 20 0 EGADMP CC/C=C\CC[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001755197623 1440777653 /nfs/dbraw/zinc/77/76/53/1440777653.db2.gz YNDTXAVSRGMGLU-HPFMTEOYSA-N 2 1 335.536 3.140 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CCC(C)(C)C)[NH+](CC)CC ZINC001755198803 1440778449 /nfs/dbraw/zinc/77/84/49/1440778449.db2.gz HRLNKTHADZVLJB-QZTJIDSGSA-N 2 1 339.568 3.466 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1cc(C)cc(C)c1 ZINC001755202083 1440780426 /nfs/dbraw/zinc/78/04/26/1440780426.db2.gz ZBTZDSHTFPDUJM-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001755204037 1440781498 /nfs/dbraw/zinc/78/14/98/1440781498.db2.gz FXOLHKDAAIADMD-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001755204037 1440781499 /nfs/dbraw/zinc/78/14/99/1440781499.db2.gz FXOLHKDAAIADMD-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001755204037 1440781500 /nfs/dbraw/zinc/78/15/00/1440781500.db2.gz FXOLHKDAAIADMD-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP O=C(NC1CC(C[NH2+]CCC2CC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001755216091 1440784041 /nfs/dbraw/zinc/78/40/41/1440784041.db2.gz MXZAKNNNEFDZNR-AFMYVXGZSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001755300674 1440808373 /nfs/dbraw/zinc/80/83/73/1440808373.db2.gz VOQLZVQHVGAMMW-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755300674 1440808374 /nfs/dbraw/zinc/80/83/74/1440808374.db2.gz VOQLZVQHVGAMMW-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755300674 1440808375 /nfs/dbraw/zinc/80/83/75/1440808375.db2.gz VOQLZVQHVGAMMW-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@@H+](C)CCC(C)(C)C ZINC001755319570 1440817845 /nfs/dbraw/zinc/81/78/45/1440817845.db2.gz JAXKKXORONEMEY-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP C[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@H+](C)CC1CCCCC1 ZINC001755329339 1440823690 /nfs/dbraw/zinc/82/36/90/1440823690.db2.gz YPJLAPUFJDHSHU-XLIONFOSSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@@H+](C)CC1CCCCC1 ZINC001755329339 1440823691 /nfs/dbraw/zinc/82/36/91/1440823691.db2.gz YPJLAPUFJDHSHU-XLIONFOSSA-N 2 1 345.531 3.306 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC001755413213 1440847213 /nfs/dbraw/zinc/84/72/13/1440847213.db2.gz VGUXTLGCWVFQCX-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC001755413213 1440847214 /nfs/dbraw/zinc/84/72/14/1440847214.db2.gz VGUXTLGCWVFQCX-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC001755413213 1440847215 /nfs/dbraw/zinc/84/72/15/1440847215.db2.gz VGUXTLGCWVFQCX-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCC2CCCCCC2)CC1(C)C ZINC001755413970 1440847869 /nfs/dbraw/zinc/84/78/69/1440847869.db2.gz NGOZYYOQTYYTCL-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CCC[NH+]([C@@H](C)c1ccccc1)C2 ZINC001755458650 1440856752 /nfs/dbraw/zinc/85/67/52/1440856752.db2.gz ONMKQIDIQRKMOI-SFHVURJKSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CCC[N@@H+]([C@@H](C)c1ccccc1)C2 ZINC001755458650 1440856753 /nfs/dbraw/zinc/85/67/53/1440856753.db2.gz ONMKQIDIQRKMOI-SFHVURJKSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CCC[N@H+]([C@@H](C)c1ccccc1)C2 ZINC001755458650 1440856754 /nfs/dbraw/zinc/85/67/54/1440856754.db2.gz ONMKQIDIQRKMOI-SFHVURJKSA-N 2 1 343.515 3.014 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CCCCC1 ZINC001755498628 1440862375 /nfs/dbraw/zinc/86/23/75/1440862375.db2.gz MPFAZQBMFMDSCV-IEBWSBKVSA-N 2 1 337.552 3.314 20 0 EGADMP C[C@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@H+]1CC1CCCCC1 ZINC001755723444 1440908356 /nfs/dbraw/zinc/90/83/56/1440908356.db2.gz PCSXTGVNRKCEQV-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@@H+](C)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001755814754 1440922707 /nfs/dbraw/zinc/92/27/07/1440922707.db2.gz NBMSDBNNRBSMCQ-SFHVURJKSA-N 2 1 325.541 3.076 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(CC[N@H+](C)CCC1=CCCCC1)C(C)C ZINC001755815136 1440923061 /nfs/dbraw/zinc/92/30/61/1440923061.db2.gz BRBCJSMQFORALM-UHFFFAOYSA-N 2 1 346.519 3.251 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(CC[N@@H+](C)CCC1=CCCCC1)C(C)C ZINC001755815136 1440923062 /nfs/dbraw/zinc/92/30/62/1440923062.db2.gz BRBCJSMQFORALM-UHFFFAOYSA-N 2 1 346.519 3.251 20 0 EGADMP CC(C)=CC[N@H+](C)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001755814873 1440923072 /nfs/dbraw/zinc/92/30/72/1440923072.db2.gz ROAPPUMZJSBFMQ-IBGZPJMESA-N 2 1 337.552 3.386 20 0 EGADMP CC(C)(C)[C@@H](C[NH2+]CC1CC1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755822122 1440926122 /nfs/dbraw/zinc/92/61/22/1440926122.db2.gz NMPWSIBGENTOPN-PKOBYXMFSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)C[NH2+]C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C(C)(C)C ZINC001755828499 1440928031 /nfs/dbraw/zinc/92/80/31/1440928031.db2.gz JRLJLLXRUNFKBB-GOSISDBHSA-N 2 1 339.568 3.418 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001755846392 1440933603 /nfs/dbraw/zinc/93/36/03/1440933603.db2.gz YCOIRINBVADEJH-XLIONFOSSA-N 2 1 345.531 3.305 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001755900183 1440943711 /nfs/dbraw/zinc/94/37/11/1440943711.db2.gz WXBYYNFHDIXSPF-QZTJIDSGSA-N 2 1 347.547 3.188 20 0 EGADMP Cc1cc(C)[nH+]c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164899990 721511716 /nfs/dbraw/zinc/51/17/16/721511716.db2.gz MYEBUSVQRCWNMA-HKUYNNGSSA-N 2 1 341.430 3.179 20 0 EGADMP Cc1cc(C)[nH+]c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164899990 721511718 /nfs/dbraw/zinc/51/17/18/721511718.db2.gz MYEBUSVQRCWNMA-HKUYNNGSSA-N 2 1 341.430 3.179 20 0 EGADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368188970 168322424 /nfs/dbraw/zinc/32/24/24/168322424.db2.gz OCYPYPBNBZBCBW-FQEVSTJZSA-N 2 1 326.488 3.178 20 0 EGADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368188970 168322427 /nfs/dbraw/zinc/32/24/27/168322427.db2.gz OCYPYPBNBZBCBW-FQEVSTJZSA-N 2 1 326.488 3.178 20 0 EGADMP Cc1noc(C2CCC([NH2+][C@H](C)C[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)n1 ZINC000368378907 168348556 /nfs/dbraw/zinc/34/85/56/168348556.db2.gz SDUFXYMTBGFMRQ-AQKMWONCSA-N 2 1 334.508 3.360 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000127375562 282204557 /nfs/dbraw/zinc/20/45/57/282204557.db2.gz ASSBHBCFAWQXSC-IBGZPJMESA-N 2 1 333.451 3.412 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000127375562 282204560 /nfs/dbraw/zinc/20/45/60/282204560.db2.gz ASSBHBCFAWQXSC-IBGZPJMESA-N 2 1 333.451 3.412 20 0 EGADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000361502518 296035675 /nfs/dbraw/zinc/03/56/75/296035675.db2.gz XQBTWZSTDXNJFC-QUCCMNQESA-N 2 1 347.547 3.118 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C[C@H]1C[NH3+] ZINC000253181624 201185403 /nfs/dbraw/zinc/18/54/03/201185403.db2.gz FJCAEHIYSLZMBS-GXTWGEPZSA-N 2 1 348.288 3.414 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C[C@H]1C[NH3+] ZINC000253181624 201185406 /nfs/dbraw/zinc/18/54/06/201185406.db2.gz FJCAEHIYSLZMBS-GXTWGEPZSA-N 2 1 348.288 3.414 20 0 EGADMP C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272227415 201249498 /nfs/dbraw/zinc/24/94/98/201249498.db2.gz QURHTCMMOHHZEH-DWLFOUALSA-N 2 1 338.495 3.394 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272535368 201252527 /nfs/dbraw/zinc/25/25/27/201252527.db2.gz REJKRUFLZMEVEV-LRQRDZAKSA-N 2 1 342.458 3.359 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000236655030 242309029 /nfs/dbraw/zinc/30/90/29/242309029.db2.gz IACDGFBRZYTGCY-HXUWFJFHSA-N 2 1 339.483 3.233 20 0 EGADMP C[NH+](C)CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000072713442 203241778 /nfs/dbraw/zinc/24/17/78/203241778.db2.gz GEPBZYXTHKHCPU-UHFFFAOYSA-N 2 1 349.482 3.035 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000076004922 203330905 /nfs/dbraw/zinc/33/09/05/203330905.db2.gz MFJITCOWHGENPA-HNNXBMFYSA-N 2 1 337.895 3.332 20 0 EGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccco2)CC1 ZINC000105464820 204146891 /nfs/dbraw/zinc/14/68/91/204146891.db2.gz GXMANCWNRMNJQU-HNNXBMFYSA-N 2 1 331.435 3.411 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(F)cc1 ZINC000126732708 205069530 /nfs/dbraw/zinc/06/95/30/205069530.db2.gz DEWJMVFRQHFHAD-KRWDZBQOSA-N 2 1 341.474 3.424 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000127386554 205097825 /nfs/dbraw/zinc/09/78/25/205097825.db2.gz MIYFXYNOGGOKBL-FQEVSTJZSA-N 2 1 326.488 3.178 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000127386554 205097827 /nfs/dbraw/zinc/09/78/27/205097827.db2.gz MIYFXYNOGGOKBL-FQEVSTJZSA-N 2 1 326.488 3.178 20 0 EGADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128252324 205140373 /nfs/dbraw/zinc/14/03/73/205140373.db2.gz GJIFKCNSCDBAIC-UZLBHIALSA-N 2 1 333.495 3.066 20 0 EGADMP CCN(C(=O)[C@@H](C)[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1)c1ccccc1 ZINC000129405675 205193333 /nfs/dbraw/zinc/19/33/33/205193333.db2.gz KWJHMGIOZNQNDB-YQVWRLOYSA-N 2 1 340.471 3.208 20 0 EGADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)s1 ZINC000158427925 206190754 /nfs/dbraw/zinc/19/07/54/206190754.db2.gz NWBSDMWKMDDVKB-OAHLLOKOSA-N 2 1 330.501 3.054 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)c1cnn(C)c1 ZINC000162131892 206386529 /nfs/dbraw/zinc/38/65/29/206386529.db2.gz DQKOAIONBONCNP-HXUWFJFHSA-N 2 1 326.488 3.434 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC[N@H+]1C ZINC000378571045 169140114 /nfs/dbraw/zinc/14/01/14/169140114.db2.gz PJSNPHIYMJUUFR-MSEOUXRUSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC000378571045 169140116 /nfs/dbraw/zinc/14/01/16/169140116.db2.gz PJSNPHIYMJUUFR-MSEOUXRUSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC000378571045 169140119 /nfs/dbraw/zinc/14/01/19/169140119.db2.gz PJSNPHIYMJUUFR-MSEOUXRUSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCN1C ZINC000378571045 169140122 /nfs/dbraw/zinc/14/01/22/169140122.db2.gz PJSNPHIYMJUUFR-MSEOUXRUSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCN1C ZINC000378571045 169140124 /nfs/dbraw/zinc/14/01/24/169140124.db2.gz PJSNPHIYMJUUFR-MSEOUXRUSA-N 2 1 341.543 3.359 20 0 EGADMP Brc1cc(C[N@@H+](CC2CC[NH2+]CC2)C2CC2)cs1 ZINC000094042573 218262159 /nfs/dbraw/zinc/26/21/59/218262159.db2.gz RCOGLLLJTLRDBR-UHFFFAOYSA-N 2 1 329.307 3.475 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccs1 ZINC000177602545 207360591 /nfs/dbraw/zinc/36/05/91/207360591.db2.gz MBDKUPXHQMKDEB-NVXWUHKLSA-N 2 1 349.544 3.122 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCOc2ccccc2)[C@H](C)C1 ZINC000268709362 252158932 /nfs/dbraw/zinc/15/89/32/252158932.db2.gz CVVKAYHIPCQWNK-UYAOXDASSA-N 2 1 334.504 3.182 20 0 EGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268754299 252206120 /nfs/dbraw/zinc/20/61/20/252206120.db2.gz IXAXHNMFDDBRHH-CYBMUJFWSA-N 2 1 348.459 3.064 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268754299 252206123 /nfs/dbraw/zinc/20/61/23/252206123.db2.gz IXAXHNMFDDBRHH-CYBMUJFWSA-N 2 1 348.459 3.064 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268786162 252236294 /nfs/dbraw/zinc/23/62/94/252236294.db2.gz RZRYPKCFAVAYQP-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268786162 252236300 /nfs/dbraw/zinc/23/63/00/252236300.db2.gz RZRYPKCFAVAYQP-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1cccc(OCC[NH+](C)C)c1 ZINC000268830236 252280373 /nfs/dbraw/zinc/28/03/73/252280373.db2.gz WBSCMKWNZLYVEB-CQSZACIVSA-N 2 1 344.484 3.187 20 0 EGADMP Brc1cccc(NCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000352970157 532969317 /nfs/dbraw/zinc/96/93/17/532969317.db2.gz UNBZYJYAYNZJFA-HZPDHXFCSA-N 2 1 338.293 3.077 20 0 EGADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2cccc3c2N=S=N3)CC1 ZINC000118868259 221199491 /nfs/dbraw/zinc/19/94/91/221199491.db2.gz QASBBNIRESULIE-UHFFFAOYSA-N 2 1 347.488 3.015 20 0 EGADMP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000246833348 141037699 /nfs/dbraw/zinc/03/76/99/141037699.db2.gz APGULFRXZKTHLX-GPMSIDNRSA-N 2 1 331.504 3.035 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+](Cc3cccs3)C2)[C@H](C)C1 ZINC000246853438 141038486 /nfs/dbraw/zinc/03/84/86/141038486.db2.gz BPLGYLIYPAFAPQ-LMMKCTJWSA-N 2 1 335.561 3.280 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@H](C)C1 ZINC000246853438 141038490 /nfs/dbraw/zinc/03/84/90/141038490.db2.gz BPLGYLIYPAFAPQ-LMMKCTJWSA-N 2 1 335.561 3.280 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H](C)C1 ZINC000246853438 141038492 /nfs/dbraw/zinc/03/84/92/141038492.db2.gz BPLGYLIYPAFAPQ-LMMKCTJWSA-N 2 1 335.561 3.280 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000246853487 141038568 /nfs/dbraw/zinc/03/85/68/141038568.db2.gz BPLGYLIYPAFAPQ-SCTDSRPQSA-N 2 1 335.561 3.280 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000246853487 141038571 /nfs/dbraw/zinc/03/85/71/141038571.db2.gz BPLGYLIYPAFAPQ-SCTDSRPQSA-N 2 1 335.561 3.280 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000246853487 141038574 /nfs/dbraw/zinc/03/85/74/141038574.db2.gz BPLGYLIYPAFAPQ-SCTDSRPQSA-N 2 1 335.561 3.280 20 0 EGADMP C[C@@H](C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338047344 141081232 /nfs/dbraw/zinc/08/12/32/141081232.db2.gz HEIXFVZMZIZRSC-HMSXXHTOSA-N 2 1 335.536 3.112 20 0 EGADMP C[NH+](C)CC1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000341177477 141131961 /nfs/dbraw/zinc/13/19/61/141131961.db2.gz UEMMHCNUOJANKN-UHFFFAOYSA-N 2 1 329.257 3.362 20 0 EGADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc2cccnc12 ZINC000346222576 141183994 /nfs/dbraw/zinc/18/39/94/141183994.db2.gz PELTVBDYYRQTGA-HSALFYBXSA-N 2 1 339.483 3.227 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000352944044 141274052 /nfs/dbraw/zinc/27/40/52/141274052.db2.gz FJUAOAMQGNWAMH-QZTJIDSGSA-N 2 1 341.499 3.423 20 0 EGADMP Cc1cc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c(C)s1 ZINC000352954718 141276685 /nfs/dbraw/zinc/27/66/85/141276685.db2.gz GKIBFDLAGXRJFA-HZPDHXFCSA-N 2 1 335.561 3.355 20 0 EGADMP Cc1cc(F)ccc1CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000352959530 141277464 /nfs/dbraw/zinc/27/74/64/141277464.db2.gz VUSVUYHVWHZUPU-HDICACEKSA-N 2 1 333.495 3.125 20 0 EGADMP Cc1cc(F)ccc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000352959530 141277465 /nfs/dbraw/zinc/27/74/65/141277465.db2.gz VUSVUYHVWHZUPU-HDICACEKSA-N 2 1 333.495 3.125 20 0 EGADMP Cc1cc(F)ccc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000352959530 141277466 /nfs/dbraw/zinc/27/74/66/141277466.db2.gz VUSVUYHVWHZUPU-HDICACEKSA-N 2 1 333.495 3.125 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000353457043 141300517 /nfs/dbraw/zinc/30/05/17/141300517.db2.gz YHRUVIYWCLDEPM-SFHVURJKSA-N 2 1 349.482 3.440 20 0 EGADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000358009171 141379165 /nfs/dbraw/zinc/37/91/65/141379165.db2.gz CKEVHSPDTNYPKM-OXJNMPFZSA-N 2 1 326.488 3.043 20 0 EGADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)nnn1-c1ccccc1 ZINC000359601343 141383567 /nfs/dbraw/zinc/38/35/67/141383567.db2.gz HVXMCUZFLZTAPT-MRXNPFEDSA-N 2 1 349.482 3.488 20 0 EGADMP C[C@H](NCCC[NH+]1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178409161 144070770 /nfs/dbraw/zinc/07/07/70/144070770.db2.gz FLXYYWBHEDWXFZ-SFHVURJKSA-N 2 1 333.520 3.154 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000178850180 144076231 /nfs/dbraw/zinc/07/62/31/144076231.db2.gz FLJMQHHDVUPEFX-IBGZPJMESA-N 2 1 331.504 3.067 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000186491259 144134778 /nfs/dbraw/zinc/13/47/78/144134778.db2.gz WPYRKSHLQNXXKL-QFBILLFUSA-N 2 1 342.487 3.204 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH+](CCc1ccccc1F)C1CCCC1)C1CC1 ZINC000351436827 144264853 /nfs/dbraw/zinc/26/48/53/144264853.db2.gz AUBJNZSEHPCPDG-LJQANCHMSA-N 2 1 334.479 3.068 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH+](CCc1ccccc1F)C1CCCC1)C1CC1 ZINC000351436827 144264854 /nfs/dbraw/zinc/26/48/54/144264854.db2.gz AUBJNZSEHPCPDG-LJQANCHMSA-N 2 1 334.479 3.068 20 0 EGADMP C[NH+](C[C@@H](O)C[N@H+](CCc1ccccc1F)C1CCCC1)C1CC1 ZINC000351436827 144264855 /nfs/dbraw/zinc/26/48/55/144264855.db2.gz AUBJNZSEHPCPDG-LJQANCHMSA-N 2 1 334.479 3.068 20 0 EGADMP C[NH+](C[C@@H](O)C[N@@H+](CCc1ccccc1F)C1CCCC1)C1CC1 ZINC000351436827 144264856 /nfs/dbraw/zinc/26/48/56/144264856.db2.gz AUBJNZSEHPCPDG-LJQANCHMSA-N 2 1 334.479 3.068 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000677818332 549336790 /nfs/dbraw/zinc/33/67/90/549336790.db2.gz ZPIFRURDMVXJGT-INIZCTEOSA-N 2 1 341.377 3.098 20 0 EGADMP CCS[C@@H]1CCCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191491464 153200448 /nfs/dbraw/zinc/20/04/48/153200448.db2.gz KORTWJRMMVDEBQ-GOSISDBHSA-N 2 1 327.582 3.010 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000192918665 153266706 /nfs/dbraw/zinc/26/67/06/153266706.db2.gz SKFMVNCUALOYIL-WCIQWLHISA-N 2 1 326.484 3.056 20 0 EGADMP Cc1ccc2ncc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000192925172 153268225 /nfs/dbraw/zinc/26/82/25/153268225.db2.gz SQBLZWRAIMWNBI-IBGZPJMESA-N 2 1 334.467 3.254 20 0 EGADMP CC(=O)Nc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192933598 153269109 /nfs/dbraw/zinc/26/91/09/153269109.db2.gz NZJDGHQOEFRHND-IBGZPJMESA-N 2 1 337.467 3.257 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H]3CCC=CO3)CC2)cs1 ZINC000194450705 153338500 /nfs/dbraw/zinc/33/85/00/153338500.db2.gz NFQQNVGOVKXOPR-QGZVFWFLSA-N 2 1 335.517 3.200 20 0 EGADMP COc1ccc([C@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)C(C)C)cc1 ZINC000098144143 286375895 /nfs/dbraw/zinc/37/58/95/286375895.db2.gz AHTFYRXEHCZDIJ-UYAOXDASSA-N 2 1 334.504 3.075 20 0 EGADMP CCCC[N@@H+](CC)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000303120792 154038936 /nfs/dbraw/zinc/03/89/36/154038936.db2.gz MJBLXRSIEPFILO-UHFFFAOYSA-N 2 1 349.544 3.296 20 0 EGADMP Clc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc2c1OCCCO2 ZINC000322926995 154169563 /nfs/dbraw/zinc/16/95/63/154169563.db2.gz NKUXQEBETPYTPN-GJZGRUSLSA-N 2 1 336.863 3.218 20 0 EGADMP Clc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1OCCCO2 ZINC000322926995 154169567 /nfs/dbraw/zinc/16/95/67/154169567.db2.gz NKUXQEBETPYTPN-GJZGRUSLSA-N 2 1 336.863 3.218 20 0 EGADMP [NH3+]CCCOC1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000336852961 154219621 /nfs/dbraw/zinc/21/96/21/154219621.db2.gz BHZRBGPIOMPUDJ-UHFFFAOYSA-N 2 1 337.514 3.201 20 0 EGADMP COc1cc2c(c(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c1)O[C@H](C)C2 ZINC000349131022 156363663 /nfs/dbraw/zinc/36/36/63/156363663.db2.gz PDJCVHDARDTVKV-WBVHZDCISA-N 2 1 344.499 3.182 20 0 EGADMP CC(=O)N1CCCCC[C@@H]1C1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000362103329 157023894 /nfs/dbraw/zinc/02/38/94/157023894.db2.gz RPRKDJXXFIGADL-HXUWFJFHSA-N 2 1 346.519 3.085 20 0 EGADMP COc1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000248438261 163005706 /nfs/dbraw/zinc/00/57/06/163005706.db2.gz HSBLBLUTRUDSLM-OXJNMPFZSA-N 2 1 340.467 3.113 20 0 EGADMP COc1ccc(C2CC([NH2+]Cc3c[nH+]ccc3N(C)C)C2)cc1F ZINC000337236623 163173983 /nfs/dbraw/zinc/17/39/83/163173983.db2.gz BEODWTJOSWEKST-UHFFFAOYSA-N 2 1 329.419 3.331 20 0 EGADMP CCc1oc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1C(=O)OC ZINC000338943226 163395824 /nfs/dbraw/zinc/39/58/24/163395824.db2.gz WDNPHKPRXLLNPU-OAHLLOKOSA-N 2 1 336.476 3.230 20 0 EGADMP CN(CCC[N@H+](C)Cc1ccco1)c1cc[nH+]cc1Br ZINC000343776579 164032916 /nfs/dbraw/zinc/03/29/16/164032916.db2.gz IXVJMXASFRQHPU-UHFFFAOYSA-N 2 1 338.249 3.395 20 0 EGADMP CN(CCC[N@@H+](C)Cc1ccco1)c1cc[nH+]cc1Br ZINC000343776579 164032917 /nfs/dbraw/zinc/03/29/17/164032917.db2.gz IXVJMXASFRQHPU-UHFFFAOYSA-N 2 1 338.249 3.395 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3o2)CCN1C1CC[NH+](C)CC1 ZINC000343777246 164032935 /nfs/dbraw/zinc/03/29/35/164032935.db2.gz XWFAZHCGWOXBSN-INIZCTEOSA-N 2 1 327.472 3.033 20 0 EGADMP CN(CCC[N@H+](C)Cc1ccco1)c1cc[nH+]c(N2CCCCC2)n1 ZINC000343847568 164050074 /nfs/dbraw/zinc/05/00/74/164050074.db2.gz JLVLPZITBVQMTL-UHFFFAOYSA-N 2 1 343.475 3.018 20 0 EGADMP CN(CCC[N@@H+](C)Cc1ccco1)c1cc[nH+]c(N2CCCCC2)n1 ZINC000343847568 164050076 /nfs/dbraw/zinc/05/00/76/164050076.db2.gz JLVLPZITBVQMTL-UHFFFAOYSA-N 2 1 343.475 3.018 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1F ZINC000343993143 164078878 /nfs/dbraw/zinc/07/88/78/164078878.db2.gz RLWPKKMQKCDRGK-CQSZACIVSA-N 2 1 347.434 3.021 20 0 EGADMP CN(CCC[N@@H+](C)Cc1cc(Cl)cc2cccnc21)CC[NH+](C)C ZINC000344012433 164082445 /nfs/dbraw/zinc/08/24/45/164082445.db2.gz BZRXSDGSPIPPIK-UHFFFAOYSA-N 2 1 348.922 3.204 20 0 EGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344019912 164084184 /nfs/dbraw/zinc/08/41/84/164084184.db2.gz AFWYLHOLQFZQGF-GOSISDBHSA-N 2 1 327.463 3.231 20 0 EGADMP CN(CCC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)CC[NH+](C)C ZINC000344021339 164084891 /nfs/dbraw/zinc/08/48/91/164084891.db2.gz GMKBWKHTLHRXFQ-UHFFFAOYSA-N 2 1 331.426 3.021 20 0 EGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H](CC2CCC2)c2ccccc2)C1 ZINC000344173920 164119680 /nfs/dbraw/zinc/11/96/80/164119680.db2.gz PTUXMVGDHSUIDF-PMACEKPBSA-N 2 1 343.515 3.095 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000346135006 164346526 /nfs/dbraw/zinc/34/65/26/164346526.db2.gz GDBPFZVJBJRUNB-INIZCTEOSA-N 2 1 337.467 3.134 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000346135006 164346528 /nfs/dbraw/zinc/34/65/28/164346528.db2.gz GDBPFZVJBJRUNB-INIZCTEOSA-N 2 1 337.467 3.134 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000352189098 165274409 /nfs/dbraw/zinc/27/44/09/165274409.db2.gz BYQBLBVZZRRGQO-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000352189098 165274411 /nfs/dbraw/zinc/27/44/11/165274411.db2.gz BYQBLBVZZRRGQO-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CC1CC[NH+](CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000359144584 167079908 /nfs/dbraw/zinc/07/99/08/167079908.db2.gz TVIICIDTBUIIHD-TZIWHRDSSA-N 2 1 329.532 3.361 20 0 EGADMP COc1cccc(C[N@@H+](CCC2CC[NH2+]CC2)C2CCC(O)CC2)c1 ZINC000359184559 167090745 /nfs/dbraw/zinc/09/07/45/167090745.db2.gz DAIZFDSZSOWLRA-UHFFFAOYSA-N 2 1 346.515 3.190 20 0 EGADMP CC[C@H](C)[N@@H+](CCC1CC[NH2+]CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000359199705 167093327 /nfs/dbraw/zinc/09/33/27/167093327.db2.gz DXRCUKJLULGJFZ-HNNXBMFYSA-N 2 1 342.487 3.326 20 0 EGADMP CCOC(=O)c1c[nH+]ccc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000359454497 167160874 /nfs/dbraw/zinc/16/08/74/167160874.db2.gz BEEYDAIGMSGBCZ-KRWDZBQOSA-N 2 1 345.487 3.207 20 0 EGADMP CC[N@@H+]1CCC[C@H]1CN[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000359582749 167200153 /nfs/dbraw/zinc/20/01/53/167200153.db2.gz GYAANXZNIUZLNX-QAPCUYQASA-N 2 1 332.492 3.351 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000359582749 167200156 /nfs/dbraw/zinc/20/01/56/167200156.db2.gz GYAANXZNIUZLNX-QAPCUYQASA-N 2 1 332.492 3.351 20 0 EGADMP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000360236039 167278372 /nfs/dbraw/zinc/27/83/72/167278372.db2.gz YRAOWYNXPFVRNS-QUCCMNQESA-N 2 1 334.504 3.219 20 0 EGADMP CC(C)n1nccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000366334248 168107323 /nfs/dbraw/zinc/10/73/23/168107323.db2.gz GNLIBXNEBXCWCP-IBGZPJMESA-N 2 1 326.488 3.466 20 0 EGADMP CC(C)n1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366334248 168107324 /nfs/dbraw/zinc/10/73/24/168107324.db2.gz GNLIBXNEBXCWCP-IBGZPJMESA-N 2 1 326.488 3.466 20 0 EGADMP Clc1c(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cnn1Cc1ccccc1 ZINC000367401511 168220696 /nfs/dbraw/zinc/22/06/96/168220696.db2.gz ZPBVFLQQQQLOAU-ZWKOTPCHSA-N 2 1 344.890 3.301 20 0 EGADMP OC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000367552064 168240926 /nfs/dbraw/zinc/24/09/26/168240926.db2.gz MMVSJZZGSCBFME-AHJNKEMKSA-N 2 1 342.527 3.285 20 0 EGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1CC(C)(C)C1 ZINC000367597748 168247357 /nfs/dbraw/zinc/24/73/57/168247357.db2.gz SVAWCQVCKMYJCF-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1cc(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)on1 ZINC000367600798 168248402 /nfs/dbraw/zinc/24/84/02/168248402.db2.gz ZWOCOZIZQFEECO-YZGWKJHDSA-N 2 1 325.456 3.026 20 0 EGADMP Cn1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(-c2cccs2)n1 ZINC000367709394 168261294 /nfs/dbraw/zinc/26/12/94/168261294.db2.gz STMUWGWCLCEBAU-XYPWUTKMSA-N 2 1 330.501 3.206 20 0 EGADMP Cn1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(-c2cccs2)n1 ZINC000367709394 168261297 /nfs/dbraw/zinc/26/12/97/168261297.db2.gz STMUWGWCLCEBAU-XYPWUTKMSA-N 2 1 330.501 3.206 20 0 EGADMP Cn1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(-c2cccs2)n1 ZINC000367709394 168261299 /nfs/dbraw/zinc/26/12/99/168261299.db2.gz STMUWGWCLCEBAU-XYPWUTKMSA-N 2 1 330.501 3.206 20 0 EGADMP Cn1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(-c2cccs2)n1 ZINC000367709394 168261300 /nfs/dbraw/zinc/26/13/00/168261300.db2.gz STMUWGWCLCEBAU-XYPWUTKMSA-N 2 1 330.501 3.206 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cncc(Br)c1 ZINC000166862138 226172482 /nfs/dbraw/zinc/17/24/82/226172482.db2.gz PKYPDUITKUIYSW-CYBMUJFWSA-N 2 1 326.282 3.198 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cncc(Br)c1 ZINC000166862138 226172487 /nfs/dbraw/zinc/17/24/87/226172487.db2.gz PKYPDUITKUIYSW-CYBMUJFWSA-N 2 1 326.282 3.198 20 0 EGADMP CCc1cc(NC[C@H](C)[NH+]2CCN(CC)CC2)c2ccccc2[nH+]1 ZINC000123698038 222319382 /nfs/dbraw/zinc/31/93/82/222319382.db2.gz VSPZGGRDBYCHIX-INIZCTEOSA-N 2 1 326.488 3.235 20 0 EGADMP C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000179426257 265376690 /nfs/dbraw/zinc/37/66/90/265376690.db2.gz RMWMNPGKCWVGLV-WBVHZDCISA-N 2 1 339.524 3.096 20 0 EGADMP CCOc1ccccc1OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000269618435 266328588 /nfs/dbraw/zinc/32/85/88/266328588.db2.gz DDBFVNLFVYFPRH-IEBWSBKVSA-N 2 1 344.499 3.413 20 0 EGADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000269618435 266328590 /nfs/dbraw/zinc/32/85/90/266328590.db2.gz DDBFVNLFVYFPRH-IEBWSBKVSA-N 2 1 344.499 3.413 20 0 EGADMP CCOc1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000269618435 266328591 /nfs/dbraw/zinc/32/85/91/266328591.db2.gz DDBFVNLFVYFPRH-IEBWSBKVSA-N 2 1 344.499 3.413 20 0 EGADMP CCOc1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269618435 266328594 /nfs/dbraw/zinc/32/85/94/266328594.db2.gz DDBFVNLFVYFPRH-IEBWSBKVSA-N 2 1 344.499 3.413 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000273289100 267013587 /nfs/dbraw/zinc/01/35/87/267013587.db2.gz XRPPYTNTKIZZLQ-HNNXBMFYSA-N 2 1 349.544 3.341 20 0 EGADMP Cc1n[nH]cc1CCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274897684 267303102 /nfs/dbraw/zinc/30/31/02/267303102.db2.gz KPLKCKOKJDVBST-UZLBHIALSA-N 2 1 326.488 3.151 20 0 EGADMP CCOCCC[N@H+]1CC[C@H](NCc2cc(F)ccc2OC)[C@H](C)C1 ZINC000275279581 267340423 /nfs/dbraw/zinc/34/04/23/267340423.db2.gz DMPNIKAIXOTKDK-QAPCUYQASA-N 2 1 338.467 3.061 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000111240914 275182961 /nfs/dbraw/zinc/18/29/61/275182961.db2.gz WICHRWKMJCGSHK-FQEVSTJZSA-N 2 1 348.531 3.158 20 0 EGADMP CC(C)[NH+]1CCN(CCCSCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000278708936 275267454 /nfs/dbraw/zinc/26/74/54/275267454.db2.gz RQPUSHFNMJTWND-UHFFFAOYSA-N 2 1 349.588 3.268 20 0 EGADMP CC(C)N1CC[NH+](CCCSCC[N@H+](C)Cc2ccccc2)CC1 ZINC000278708936 275267455 /nfs/dbraw/zinc/26/74/55/275267455.db2.gz RQPUSHFNMJTWND-UHFFFAOYSA-N 2 1 349.588 3.268 20 0 EGADMP CC(C)N1CC[NH+](CCCSCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000278708936 275267456 /nfs/dbraw/zinc/26/74/56/275267456.db2.gz RQPUSHFNMJTWND-UHFFFAOYSA-N 2 1 349.588 3.268 20 0 EGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000282769624 275669106 /nfs/dbraw/zinc/66/91/06/275669106.db2.gz WSCYXWWTOZBUSN-MRXNPFEDSA-N 2 1 341.503 3.238 20 0 EGADMP COc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1O ZINC000288473142 276217676 /nfs/dbraw/zinc/21/76/76/276217676.db2.gz PDNJDTFNWYCKNZ-QAPCUYQASA-N 2 1 326.440 3.153 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000289124354 276294082 /nfs/dbraw/zinc/29/40/82/276294082.db2.gz DPOVIBFFGZVRKW-HXUWFJFHSA-N 2 1 340.515 3.163 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000289148651 276297028 /nfs/dbraw/zinc/29/70/28/276297028.db2.gz GDTGYRHKEPTZMJ-OXQOHEQNSA-N 2 1 341.499 3.372 20 0 EGADMP COc1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc(OC)c1O ZINC000289319460 276321246 /nfs/dbraw/zinc/32/12/46/276321246.db2.gz SXCDGEJFMBSAQT-HNNXBMFYSA-N 2 1 336.476 3.011 20 0 EGADMP COCCOCc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000289582645 276361503 /nfs/dbraw/zinc/36/15/03/276361503.db2.gz HLROVURSCDKKMZ-NRFANRHFSA-N 2 1 346.515 3.157 20 0 EGADMP COCCOCc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000289582645 276361505 /nfs/dbraw/zinc/36/15/05/276361505.db2.gz HLROVURSCDKKMZ-NRFANRHFSA-N 2 1 346.515 3.157 20 0 EGADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C1CC[NH+](C)CC1 ZINC000289613444 276366504 /nfs/dbraw/zinc/36/65/04/276366504.db2.gz FFSVVNJZSBZOQV-LLVKDONJSA-N 2 1 329.257 3.203 20 0 EGADMP CCn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000289630306 276368911 /nfs/dbraw/zinc/36/89/11/276368911.db2.gz PHDIWNBLTGNOFL-IBGZPJMESA-N 2 1 326.488 3.295 20 0 EGADMP CCn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000289630306 276368912 /nfs/dbraw/zinc/36/89/12/276368912.db2.gz PHDIWNBLTGNOFL-IBGZPJMESA-N 2 1 326.488 3.295 20 0 EGADMP COC1(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000289748987 276387648 /nfs/dbraw/zinc/38/76/48/276387648.db2.gz IATGAJZFEXEOEC-HXUWFJFHSA-N 2 1 346.515 3.074 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1)C(C)C ZINC000171454884 279235048 /nfs/dbraw/zinc/23/50/48/279235048.db2.gz KUJQQEAOPVNTDH-HXUWFJFHSA-N 2 1 343.515 3.227 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000343579691 279353073 /nfs/dbraw/zinc/35/30/73/279353073.db2.gz DFPDEMIMGUMEHI-KRWDZBQOSA-N 2 1 331.504 3.017 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000343579691 279353074 /nfs/dbraw/zinc/35/30/74/279353074.db2.gz DFPDEMIMGUMEHI-KRWDZBQOSA-N 2 1 331.504 3.017 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000343579691 279353075 /nfs/dbraw/zinc/35/30/75/279353075.db2.gz DFPDEMIMGUMEHI-KRWDZBQOSA-N 2 1 331.504 3.017 20 0 EGADMP Cc1cc2cc([C@@H](C)[NH2+][C@H](C)CN3CC[NH+](C)CC3)oc2cc1C ZINC000154929859 280696243 /nfs/dbraw/zinc/69/62/43/280696243.db2.gz RXRCUGALXSNCCX-IAGOWNOFSA-N 2 1 329.488 3.336 20 0 EGADMP CC1(C)Cc2occc2[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000358318046 281376837 /nfs/dbraw/zinc/37/68/37/281376837.db2.gz LJNYLFKYDCTVPP-KZNAEPCWSA-N 2 1 332.488 3.261 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000355061136 295002281 /nfs/dbraw/zinc/00/22/81/295002281.db2.gz IMMFZUNATPEVCF-HNNXBMFYSA-N 2 1 347.503 3.426 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc(OC(F)F)c2)C[C@H](C)O1 ZINC000057969327 307347737 /nfs/dbraw/zinc/34/77/37/307347737.db2.gz IBTIPSCLEQVHDC-GASCZTMLSA-N 2 1 342.430 3.267 20 0 EGADMP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000067399429 307365696 /nfs/dbraw/zinc/36/56/96/307365696.db2.gz HNOMNSVZQKVBQF-INIZCTEOSA-N 2 1 339.524 3.096 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)Cc2ccc(OC)nc2)c1 ZINC000414069299 309059009 /nfs/dbraw/zinc/05/90/09/309059009.db2.gz JDLNZEBZKBTVAS-INIZCTEOSA-N 2 1 327.472 3.263 20 0 EGADMP COC(=O)c1cnc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000414073333 309059293 /nfs/dbraw/zinc/05/92/93/309059293.db2.gz NGGWJVOUSXFFIG-KGLIPLIRSA-N 2 1 339.505 3.092 20 0 EGADMP COC(=O)c1cnc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)s1 ZINC000414073333 309059294 /nfs/dbraw/zinc/05/92/94/309059294.db2.gz NGGWJVOUSXFFIG-KGLIPLIRSA-N 2 1 339.505 3.092 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)nnn1-c1ccc(F)cc1 ZINC000414168341 309064366 /nfs/dbraw/zinc/06/43/66/309064366.db2.gz ABXOLRRHJOXZKK-GDBMZVCRSA-N 2 1 345.466 3.097 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000414326293 309073093 /nfs/dbraw/zinc/07/30/93/309073093.db2.gz LNDXFBLUQIGVDX-AWEZNQCLSA-N 2 1 341.434 3.251 20 0 EGADMP C[C@H]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248547836 308005230 /nfs/dbraw/zinc/00/52/30/308005230.db2.gz FHWPUVQOXOIPLT-BQFCYCMXSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248547836 308005232 /nfs/dbraw/zinc/00/52/32/308005232.db2.gz FHWPUVQOXOIPLT-BQFCYCMXSA-N 2 1 347.547 3.019 20 0 EGADMP CSc1cccc(NC(=O)[C@H](C)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293087776 308098097 /nfs/dbraw/zinc/09/80/97/308098097.db2.gz WSZUXBBHGRUGHE-HNAYVOBHSA-N 2 1 347.528 3.153 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000293530230 308139274 /nfs/dbraw/zinc/13/92/74/308139274.db2.gz VCOYWCYGRIWSGO-INIZCTEOSA-N 2 1 331.504 3.159 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(-c2cnn(C)c2)c1 ZINC000293719292 308155724 /nfs/dbraw/zinc/15/57/24/308155724.db2.gz TWFLPDRDJKRWQK-OAQYLSRUSA-N 2 1 338.499 3.313 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(-c2cnn(C)c2)c1 ZINC000293719292 308155725 /nfs/dbraw/zinc/15/57/25/308155725.db2.gz TWFLPDRDJKRWQK-OAQYLSRUSA-N 2 1 338.499 3.313 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(-c2cnn(C)c2)c1 ZINC000293719292 308155727 /nfs/dbraw/zinc/15/57/27/308155727.db2.gz TWFLPDRDJKRWQK-OAQYLSRUSA-N 2 1 338.499 3.313 20 0 EGADMP O[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000293927590 308174920 /nfs/dbraw/zinc/17/49/20/308174920.db2.gz YMYZDIBTMDKBAG-BHIYHBOVSA-N 2 1 340.467 3.415 20 0 EGADMP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000293927590 308174922 /nfs/dbraw/zinc/17/49/22/308174922.db2.gz YMYZDIBTMDKBAG-BHIYHBOVSA-N 2 1 340.467 3.415 20 0 EGADMP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000293927590 308174924 /nfs/dbraw/zinc/17/49/24/308174924.db2.gz YMYZDIBTMDKBAG-BHIYHBOVSA-N 2 1 340.467 3.415 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1scnc1C ZINC000414522122 309086277 /nfs/dbraw/zinc/08/62/77/309086277.db2.gz CUVXXOOVMFYCJH-QZTJIDSGSA-N 2 1 345.512 3.078 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1scnc1C ZINC000414522122 309086278 /nfs/dbraw/zinc/08/62/78/309086278.db2.gz CUVXXOOVMFYCJH-QZTJIDSGSA-N 2 1 345.512 3.078 20 0 EGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000294446225 308221475 /nfs/dbraw/zinc/22/14/75/308221475.db2.gz YBXGORNMMLBOQP-GHTZIAJQSA-N 2 1 338.495 3.477 20 0 EGADMP COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000414539724 309087340 /nfs/dbraw/zinc/08/73/40/309087340.db2.gz DYHMTMOZICKXLM-YOEHRIQHSA-N 2 1 331.485 3.107 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414656840 309094081 /nfs/dbraw/zinc/09/40/81/309094081.db2.gz GHGXFZLFJYELIA-HOTGVXAUSA-N 2 1 339.487 3.229 20 0 EGADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCc2ccc(Br)cc2)CC[NH2+]1 ZINC000414696863 309096011 /nfs/dbraw/zinc/09/60/11/309096011.db2.gz QPNDBMZFTQJRIT-HIFRSBDPSA-N 2 1 325.294 3.312 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OCc1ccccc1 ZINC000414664874 309094316 /nfs/dbraw/zinc/09/43/16/309094316.db2.gz ULEBZAWSNZULCU-VQIMIIECSA-N 2 1 340.467 3.443 20 0 EGADMP CCCCCOc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000414663165 309094400 /nfs/dbraw/zinc/09/44/00/309094400.db2.gz AXIFJHMOFCZWLX-KSZLIROESA-N 2 1 332.488 3.433 20 0 EGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414738025 309098136 /nfs/dbraw/zinc/09/81/36/309098136.db2.gz AXLVZWAIOMQHCV-NXHRZFHOSA-N 2 1 326.488 3.197 20 0 EGADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H](C)C(=O)Nc1ccccc1C ZINC000414751107 309098838 /nfs/dbraw/zinc/09/88/38/309098838.db2.gz ZSPZFAVNIVRTMW-RCCFBDPRSA-N 2 1 331.504 3.422 20 0 EGADMP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414775201 309100109 /nfs/dbraw/zinc/10/01/09/309100109.db2.gz GHMGZVALZGPIGI-CABCVRRESA-N 2 1 328.435 3.037 20 0 EGADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000414781498 309100605 /nfs/dbraw/zinc/10/06/05/309100605.db2.gz NBVISDREBILRCX-KGLIPLIRSA-N 2 1 341.268 3.410 20 0 EGADMP Fc1cccc(Br)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414783654 309100853 /nfs/dbraw/zinc/10/08/53/309100853.db2.gz QHBADPHBHJEGOF-QWHCGFSZSA-N 2 1 341.268 3.410 20 0 EGADMP COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414788287 309101240 /nfs/dbraw/zinc/10/12/40/309101240.db2.gz WNYQCLLYSRTDMZ-ZIAGYGMSSA-N 2 1 340.414 3.118 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CC12CCOCC2 ZINC000414788763 309101271 /nfs/dbraw/zinc/10/12/71/309101271.db2.gz XGMGQKPUURRFPA-MRXNPFEDSA-N 2 1 345.874 3.076 20 0 EGADMP Fc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1Br ZINC000414788531 309101366 /nfs/dbraw/zinc/10/13/66/309101366.db2.gz WWVBAZMQCWGWOI-UONOGXRCSA-N 2 1 341.268 3.410 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)o2)CC12CCOCC2 ZINC000414792839 309101620 /nfs/dbraw/zinc/10/16/20/309101620.db2.gz SVUJVQUIZKIGHN-HNNXBMFYSA-N 2 1 344.430 3.273 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]1SC ZINC000298321208 308603341 /nfs/dbraw/zinc/60/33/41/308603341.db2.gz IKILXEKNEPWPLI-IPMKNSEASA-N 2 1 334.529 3.150 20 0 EGADMP COc1cc(OC)cc(Oc2ccc(C[NH2+]CC(C)(C)[NH3+])cc2)c1 ZINC000414803655 309102486 /nfs/dbraw/zinc/10/24/86/309102486.db2.gz MHPDGXNXGGRGSL-UHFFFAOYSA-N 2 1 330.428 3.323 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000414817982 309103496 /nfs/dbraw/zinc/10/34/96/309103496.db2.gz ULHJZLMNLBXBLU-ZFWWWQNUSA-N 2 1 325.884 3.473 20 0 EGADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000414978558 309112604 /nfs/dbraw/zinc/11/26/04/309112604.db2.gz RXQKYIHHWQDVBD-KEYYUXOJSA-N 2 1 342.314 3.123 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000415006942 309113889 /nfs/dbraw/zinc/11/38/89/309113889.db2.gz KVSSKYKHRMJRTO-RZXSNQJFSA-N 3 1 327.516 3.017 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000415006942 309113890 /nfs/dbraw/zinc/11/38/90/309113890.db2.gz KVSSKYKHRMJRTO-RZXSNQJFSA-N 3 1 327.516 3.017 20 0 EGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000415006682 309113953 /nfs/dbraw/zinc/11/39/53/309113953.db2.gz KVSSKYKHRMJRTO-LRGNLBRXSA-N 3 1 327.516 3.017 20 0 EGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000415006682 309113954 /nfs/dbraw/zinc/11/39/54/309113954.db2.gz KVSSKYKHRMJRTO-LRGNLBRXSA-N 3 1 327.516 3.017 20 0 EGADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415016760 309114557 /nfs/dbraw/zinc/11/45/57/309114557.db2.gz OSPASGIXPFMUFV-HTQZYQBOSA-N 2 1 341.171 3.173 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]CCc3ccc4c(c3)OCCO4)CC[NH2+]2)cc1 ZINC000415088978 309119493 /nfs/dbraw/zinc/11/94/93/309119493.db2.gz VZDKXGNWQYBVDD-MOPGFXCFSA-N 2 1 338.451 3.083 20 0 EGADMP Clc1oc2ccccc2c1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415134361 309123105 /nfs/dbraw/zinc/12/31/05/309123105.db2.gz DOKXWWOZEKJOAP-CVEARBPZSA-N 2 1 346.858 3.287 20 0 EGADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000415921016 309148666 /nfs/dbraw/zinc/14/86/66/309148666.db2.gz LJBHICWSLOQTKR-QGZVFWFLSA-N 2 1 332.492 3.038 20 0 EGADMP Cc1cc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n(C)n1 ZINC000417784331 309222018 /nfs/dbraw/zinc/22/20/18/309222018.db2.gz CEXJBXHTSNBFLF-PKOBYXMFSA-N 2 1 326.488 3.213 20 0 EGADMP Brc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420270418 309278857 /nfs/dbraw/zinc/27/88/57/309278857.db2.gz YUZZXJUAYDUDNA-NEPJUHHUSA-N 2 1 332.245 3.043 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000420296839 309279792 /nfs/dbraw/zinc/27/97/92/309279792.db2.gz CCWOXQOALXTUGD-UFYCRDLUSA-N 2 1 344.886 3.408 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000420296839 309279793 /nfs/dbraw/zinc/27/97/93/309279793.db2.gz CCWOXQOALXTUGD-UFYCRDLUSA-N 2 1 344.886 3.408 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000420299307 309280082 /nfs/dbraw/zinc/28/00/82/309280082.db2.gz AQAVVSLEDIGERH-WJMWBRGCSA-N 2 1 349.478 3.344 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000420299307 309280083 /nfs/dbraw/zinc/28/00/83/309280083.db2.gz AQAVVSLEDIGERH-WJMWBRGCSA-N 2 1 349.478 3.344 20 0 EGADMP CC[N@@H+](CCOc1ccccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000420312083 309281167 /nfs/dbraw/zinc/28/11/67/309281167.db2.gz OFRIZESSHSCCBN-CQSZACIVSA-N 2 1 341.293 3.292 20 0 EGADMP COc1ccc(CC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC(C)C)cc1OC ZINC000420310891 309281243 /nfs/dbraw/zinc/28/12/43/309281243.db2.gz VIESOJSMMCHLJQ-SFHVURJKSA-N 2 1 334.504 3.204 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)cc1 ZINC000420313289 309281306 /nfs/dbraw/zinc/28/13/06/309281306.db2.gz XXAMRKVCDCWZQZ-LDQXTDLNSA-N 2 1 340.467 3.200 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)cc1 ZINC000420313289 309281307 /nfs/dbraw/zinc/28/13/07/309281307.db2.gz XXAMRKVCDCWZQZ-LDQXTDLNSA-N 2 1 340.467 3.200 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)CCC2)c1 ZINC000420316183 309281432 /nfs/dbraw/zinc/28/14/32/309281432.db2.gz LLJIWAPDFGLWBI-WMZOPIPTSA-N 2 1 332.488 3.051 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420316826 309281487 /nfs/dbraw/zinc/28/14/87/309281487.db2.gz YNXSJTSWIBBWOQ-NOLJZWGESA-N 2 1 344.480 3.247 20 0 EGADMP Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1F ZINC000420328747 309282617 /nfs/dbraw/zinc/28/26/17/309282617.db2.gz FONJFWHJOSOORA-BMFZPTHFSA-N 2 1 344.434 3.177 20 0 EGADMP Clc1cccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420345332 309283478 /nfs/dbraw/zinc/28/34/78/309283478.db2.gz VWJWWJOJZBZSJE-CABCVRRESA-N 2 1 346.862 3.212 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2Cc3ccccc3OC[C@H]2C)cc1 ZINC000420367627 309284575 /nfs/dbraw/zinc/28/45/75/309284575.db2.gz HGHKCPQKTMVBIN-CRAIPNDOSA-N 2 1 326.440 3.021 20 0 EGADMP FC(F)Oc1cccc([C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)c1 ZINC000420376297 309284994 /nfs/dbraw/zinc/28/49/94/309284994.db2.gz QHDCZBUKTMYZRJ-YOEHRIQHSA-N 2 1 340.414 3.051 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCC4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000420374169 309285114 /nfs/dbraw/zinc/28/51/14/309285114.db2.gz NONRJNIAKYWLIN-FGZHOGPDSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCC4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000420374169 309285115 /nfs/dbraw/zinc/28/51/15/309285115.db2.gz NONRJNIAKYWLIN-FGZHOGPDSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCC4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000420374169 309285116 /nfs/dbraw/zinc/28/51/16/309285116.db2.gz NONRJNIAKYWLIN-FGZHOGPDSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3CN(CCC4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000420374169 309285117 /nfs/dbraw/zinc/28/51/17/309285117.db2.gz NONRJNIAKYWLIN-FGZHOGPDSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(CCC4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000420374169 309285118 /nfs/dbraw/zinc/28/51/18/309285118.db2.gz NONRJNIAKYWLIN-FGZHOGPDSA-N 2 1 341.543 3.363 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)n1 ZINC000420410525 309286888 /nfs/dbraw/zinc/28/68/88/309286888.db2.gz XVWXDHZYMGOAQN-FPOVZHCZSA-N 2 1 338.499 3.453 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1Cl ZINC000420411111 309286991 /nfs/dbraw/zinc/28/69/91/309286991.db2.gz YFPFLHINXMHTOF-RHSMWYFYSA-N 2 1 335.879 3.133 20 0 EGADMP CS[C@H]1CCCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420939430 309302809 /nfs/dbraw/zinc/30/28/09/309302809.db2.gz QDZZSXMKBRVRJH-IBGZPJMESA-N 2 1 334.529 3.236 20 0 EGADMP CS[C@H]1CCCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420939430 309302810 /nfs/dbraw/zinc/30/28/10/309302810.db2.gz QDZZSXMKBRVRJH-IBGZPJMESA-N 2 1 334.529 3.236 20 0 EGADMP CCS[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420966892 309304775 /nfs/dbraw/zinc/30/47/75/309304775.db2.gz RXWRSQWQCHDAFX-MOPGFXCFSA-N 2 1 334.529 3.283 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1C[NH3+] ZINC000422561448 309361638 /nfs/dbraw/zinc/36/16/38/309361638.db2.gz LGMLVVGSWUPQKJ-LMMKCTJWSA-N 2 1 339.483 3.466 20 0 EGADMP CC[C@H](C(=O)Nc1ccccc1C[NH2+]C)[N@@H+](C)Cc1ccccc1 ZINC000422729420 309365440 /nfs/dbraw/zinc/36/54/40/309365440.db2.gz BQTHLSVZUDMIKM-LJQANCHMSA-N 2 1 325.456 3.255 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422737676 309366140 /nfs/dbraw/zinc/36/61/40/309366140.db2.gz XQXQCNOFWKKYBH-YFVAEKQCSA-N 2 1 343.515 3.096 20 0 EGADMP CC[C@@H]1CCCCN1CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422737676 309366141 /nfs/dbraw/zinc/36/61/41/309366141.db2.gz XQXQCNOFWKKYBH-YFVAEKQCSA-N 2 1 343.515 3.096 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422808199 309369653 /nfs/dbraw/zinc/36/96/53/309369653.db2.gz NTIHAYSAKFGBFW-MRXNPFEDSA-N 2 1 338.499 3.295 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000422862053 309372565 /nfs/dbraw/zinc/37/25/65/309372565.db2.gz NHHAOFWCCUWHPB-KDOFPFPSSA-N 2 1 329.419 3.491 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422891664 309374714 /nfs/dbraw/zinc/37/47/14/309374714.db2.gz LGXMWQSDIHBUEU-MSOLQXFVSA-N 2 1 327.403 3.047 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(Br)c1 ZINC000423369617 309397423 /nfs/dbraw/zinc/39/74/23/309397423.db2.gz FFPCALGUYOXEMP-SDDRHHMPSA-N 2 1 327.266 3.378 20 0 EGADMP c1sc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1C1CC1 ZINC000422939576 309377136 /nfs/dbraw/zinc/37/71/36/309377136.db2.gz MDNJXAZAKOJXAV-BEFAXECRSA-N 2 1 341.480 3.366 20 0 EGADMP COCCCOc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423005754 309380508 /nfs/dbraw/zinc/38/05/08/309380508.db2.gz SQUBJKPRSATHNO-VQTJNVASSA-N 2 1 326.440 3.336 20 0 EGADMP C[C@H](NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000423022484 309381503 /nfs/dbraw/zinc/38/15/03/309381503.db2.gz HTBKJNOQPHJDDH-KYABYICQSA-N 2 1 339.886 3.202 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000423022484 309381505 /nfs/dbraw/zinc/38/15/05/309381505.db2.gz HTBKJNOQPHJDDH-KYABYICQSA-N 2 1 339.886 3.202 20 0 EGADMP C[C@H](CN1CCCCCC1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423049667 309383011 /nfs/dbraw/zinc/38/30/11/309383011.db2.gz KELYIDBKAHRKOV-LMNJBCLMSA-N 2 1 343.515 3.096 20 0 EGADMP Fc1ccccc1Oc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000423081290 309384984 /nfs/dbraw/zinc/38/49/84/309384984.db2.gz CPMPZKFTSBPWJD-XYPWUTKMSA-N 2 1 327.403 3.386 20 0 EGADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)c(F)cc1Br ZINC000423101856 309385910 /nfs/dbraw/zinc/38/59/10/309385910.db2.gz DICVVGOVXXCMOQ-OTYXRUKQSA-N 2 1 333.220 3.334 20 0 EGADMP COCCCOc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423098496 309385969 /nfs/dbraw/zinc/38/59/69/309385969.db2.gz CXJMVZIQFSJNSM-UXHICEINSA-N 2 1 326.440 3.336 20 0 EGADMP C[C@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)[C@@H]1CCCC[NH2+]1 ZINC000423126574 309387330 /nfs/dbraw/zinc/38/73/30/309387330.db2.gz BAAPIHDGHJTVSI-YOEHRIQHSA-N 2 1 334.533 3.174 20 0 EGADMP COc1ccc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c(Cl)c1OC ZINC000423130972 309387507 /nfs/dbraw/zinc/38/75/07/309387507.db2.gz HHRMAJXWAGGPGQ-TZMCWYRMSA-N 2 1 326.868 3.020 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CC[NH2+]CC[C@H]2C)[NH+](C)C)cc1 ZINC000423131953 309387668 /nfs/dbraw/zinc/38/76/68/309387668.db2.gz UDYHXHLBVKFREE-AHRSYUTCSA-N 2 1 333.520 3.054 20 0 EGADMP Fc1cc(F)c2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)CCC2 ZINC000423146188 309388437 /nfs/dbraw/zinc/38/84/37/309388437.db2.gz OLGLOZSMMBWWLV-PIKADFDJSA-N 2 1 336.426 3.089 20 0 EGADMP COCCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1OC ZINC000423177471 309389398 /nfs/dbraw/zinc/38/93/98/309389398.db2.gz IWLYRVDARTZZJV-OAHLLOKOSA-N 2 1 336.476 3.033 20 0 EGADMP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423208811 309390564 /nfs/dbraw/zinc/39/05/64/309390564.db2.gz HYNIWHWYDKCOFS-HZMBPMFUSA-N 2 1 327.241 3.165 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423260141 309392781 /nfs/dbraw/zinc/39/27/81/309392781.db2.gz PPWOYXNZGKWSEQ-UVUJQTEASA-N 3 1 341.543 3.266 20 0 EGADMP COc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc(OC)c1OC ZINC000423258809 309392807 /nfs/dbraw/zinc/39/28/07/309392807.db2.gz CMIOFSOZEHFERX-BBRMVZONSA-N 2 1 336.476 3.271 20 0 EGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000423270309 309393432 /nfs/dbraw/zinc/39/34/32/309393432.db2.gz HRLLHYBDGRBNSR-ZUZCIYMTSA-N 2 1 329.257 3.484 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H](NCC[NH2+]C2CCCCCC2)[C@@H](C)C1 ZINC000423282058 309394032 /nfs/dbraw/zinc/39/40/32/309394032.db2.gz URWRVFFMXFZPDE-AZUAARDMSA-N 2 1 339.568 3.025 20 0 EGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000423285695 309394217 /nfs/dbraw/zinc/39/42/17/309394217.db2.gz ZUYNFAQUFSSGIN-BXUZGUMPSA-N 2 1 327.266 3.108 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423298155 309394516 /nfs/dbraw/zinc/39/45/16/309394516.db2.gz NITYCNSYPNRMOY-NVXWUHKLSA-N 2 1 330.476 3.167 20 0 EGADMP COCCC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Br)cc1 ZINC000423313341 309394831 /nfs/dbraw/zinc/39/48/31/309394831.db2.gz FOJQLRUWBHIFMA-JKSUJKDBSA-N 2 1 341.293 3.244 20 0 EGADMP [NH3+][C@H](C[NH2+][C@H]1CCc2c1cc(Cl)cc2Br)C1CC1 ZINC000423329391 309395612 /nfs/dbraw/zinc/39/56/12/309395612.db2.gz SSXMQTUKIZHZDV-KGLIPLIRSA-N 2 1 329.669 3.417 20 0 EGADMP CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@@H](C)[NH3+] ZINC000423337648 309395991 /nfs/dbraw/zinc/39/59/91/309395991.db2.gz RGEJMFWKIXUPRX-HLIPFELVSA-N 2 1 345.531 3.154 20 0 EGADMP Brc1cccc2c1OCCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423361147 309396963 /nfs/dbraw/zinc/39/69/63/309396963.db2.gz MCTJTKKBOQTAPR-IUODEOHRSA-N 2 1 339.277 3.395 20 0 EGADMP Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCCS2 ZINC000423493930 309403044 /nfs/dbraw/zinc/40/30/44/309403044.db2.gz RJWQPDUBPLOZMX-UKRRQHHQSA-N 2 1 326.893 3.235 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CCC2 ZINC000447518910 309980612 /nfs/dbraw/zinc/98/06/12/309980612.db2.gz PCGKDYRLQQVDBA-AWEZNQCLSA-N 2 1 336.476 3.320 20 0 EGADMP Cn1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(-c2ccc(F)cc2)n1 ZINC000449089179 310036190 /nfs/dbraw/zinc/03/61/90/310036190.db2.gz JSPCKQGKRDPSGK-UHFFFAOYSA-N 2 1 342.462 3.190 20 0 EGADMP COc1cc2ccccc2cc1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000449147126 310040334 /nfs/dbraw/zinc/04/03/34/310040334.db2.gz FLQMDKXXCLPCQK-HXUWFJFHSA-N 2 1 342.483 3.175 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CSC[C@@H]3C)CC2)cs1 ZINC000449150471 310040698 /nfs/dbraw/zinc/04/06/98/310040698.db2.gz RHFPPGGUSBIOIY-BBRMVZONSA-N 2 1 339.574 3.259 20 0 EGADMP CC(C)COc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000449194620 310043715 /nfs/dbraw/zinc/04/37/15/310043715.db2.gz UXNVQVFZIIJYDG-PMACEKPBSA-N 2 1 346.515 3.189 20 0 EGADMP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000449235099 310046773 /nfs/dbraw/zinc/04/67/73/310046773.db2.gz SURYASBAEUJSQN-OPYAIIAOSA-N 2 1 329.532 3.154 20 0 EGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCN(C)[C@@H]2C)CC1 ZINC000449235099 310046774 /nfs/dbraw/zinc/04/67/74/310046774.db2.gz SURYASBAEUJSQN-OPYAIIAOSA-N 2 1 329.532 3.154 20 0 EGADMP COc1cc2ccccc2cc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000449282631 310049942 /nfs/dbraw/zinc/04/99/42/310049942.db2.gz IJDVOQBFDTXMBP-KRWDZBQOSA-N 2 1 342.483 3.439 20 0 EGADMP COc1cc2ccccc2cc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000449282631 310049943 /nfs/dbraw/zinc/04/99/43/310049943.db2.gz IJDVOQBFDTXMBP-KRWDZBQOSA-N 2 1 342.483 3.439 20 0 EGADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2cccc(F)c2Br)C1 ZINC000449325190 310053484 /nfs/dbraw/zinc/05/34/84/310053484.db2.gz KSRJMGCAMAUSPJ-LBPRGKRZSA-N 2 1 338.224 3.311 20 0 EGADMP Cn1ccnc1[C@H]1CCN(Cc2cccc(F)c2Br)C1 ZINC000449325190 310053485 /nfs/dbraw/zinc/05/34/85/310053485.db2.gz KSRJMGCAMAUSPJ-LBPRGKRZSA-N 2 1 338.224 3.311 20 0 EGADMP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000449714818 310082218 /nfs/dbraw/zinc/08/22/18/310082218.db2.gz AEMLWOVEJCYMOM-GBESFXJTSA-N 2 1 330.516 3.284 20 0 EGADMP Cc1cccc(Cl)c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450655595 310135461 /nfs/dbraw/zinc/13/54/61/310135461.db2.gz YRQCIHBAPUDMJP-APWZRJJASA-N 2 1 335.923 3.106 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+]2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)CC1 ZINC000451144441 310162559 /nfs/dbraw/zinc/16/25/59/310162559.db2.gz IVKNAYPCYUMPGY-BBWFWOEESA-N 2 1 349.485 3.454 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](NCC[NH+]3CCCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453074404 310256183 /nfs/dbraw/zinc/25/61/83/310256183.db2.gz GHJMKKPMCFWYSI-ACRUOGEOSA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCN3CCCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453074404 310256184 /nfs/dbraw/zinc/25/61/84/310256184.db2.gz GHJMKKPMCFWYSI-ACRUOGEOSA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCN3CCCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453074404 310256185 /nfs/dbraw/zinc/25/61/85/310256185.db2.gz GHJMKKPMCFWYSI-ACRUOGEOSA-N 2 1 327.516 3.115 20 0 EGADMP COCCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453095495 310257565 /nfs/dbraw/zinc/25/75/65/310257565.db2.gz SQDWEIFCTHJONS-HBMCJLEFSA-N 2 1 346.515 3.072 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453183616 310262928 /nfs/dbraw/zinc/26/29/28/310262928.db2.gz UTMXGPKBNVQXHE-BHDDXSALSA-N 3 1 339.527 3.281 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453183616 310262929 /nfs/dbraw/zinc/26/29/29/310262929.db2.gz UTMXGPKBNVQXHE-BHDDXSALSA-N 3 1 339.527 3.281 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453183616 310262930 /nfs/dbraw/zinc/26/29/30/310262930.db2.gz UTMXGPKBNVQXHE-BHDDXSALSA-N 3 1 339.527 3.281 20 0 EGADMP C[N@H+]1CC=C(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453183616 310262931 /nfs/dbraw/zinc/26/29/31/310262931.db2.gz UTMXGPKBNVQXHE-BHDDXSALSA-N 2 1 339.527 3.281 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453183616 310262932 /nfs/dbraw/zinc/26/29/32/310262932.db2.gz UTMXGPKBNVQXHE-BHDDXSALSA-N 2 1 339.527 3.281 20 0 EGADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453212280 310264400 /nfs/dbraw/zinc/26/44/00/310264400.db2.gz OBUGFICKXOEZPT-LUYSREMJSA-N 2 1 328.500 3.180 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cc(C)ccc2F)[C@@H](C)C1 ZINC000453340904 310271991 /nfs/dbraw/zinc/27/19/91/310271991.db2.gz HFEVQMDCCHVUSM-FXAWDEMLSA-N 2 1 336.495 3.403 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+]4CCC[C@]5(CCOC5)C4)[C@H]3C2)cc1 ZINC000453384674 310274161 /nfs/dbraw/zinc/27/41/61/310274161.db2.gz TWMMNHQECCHNED-CMOCDZPBSA-N 2 1 340.511 3.400 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[C@H]([N@@H+]4CCC[C@]5(CCOC5)C4)[C@H]3C2)cc1 ZINC000453384674 310274162 /nfs/dbraw/zinc/27/41/62/310274162.db2.gz TWMMNHQECCHNED-CMOCDZPBSA-N 2 1 340.511 3.400 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[C@H]([N@H+]4CCC[C@]5(CCOC5)C4)[C@H]3C2)cc1 ZINC000453384674 310274163 /nfs/dbraw/zinc/27/41/63/310274163.db2.gz TWMMNHQECCHNED-CMOCDZPBSA-N 2 1 340.511 3.400 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(N2CCOCC2)c1 ZINC000453409434 310275546 /nfs/dbraw/zinc/27/55/46/310275546.db2.gz UFFVRRILTVPRIM-KRWDZBQOSA-N 2 1 331.504 3.048 20 0 EGADMP CC[N@@H+](CCNC(=O)Nc1c(C)cc(C)nc1C)CCC(F)(F)F ZINC000455513576 310364671 /nfs/dbraw/zinc/36/46/71/310364671.db2.gz JCCNKTGCPWKNJW-UHFFFAOYSA-N 2 1 346.397 3.403 20 0 EGADMP CCN(CCNC(=O)Nc1c(C)cc(C)nc1C)CCC(F)(F)F ZINC000455513576 310364672 /nfs/dbraw/zinc/36/46/72/310364672.db2.gz JCCNKTGCPWKNJW-UHFFFAOYSA-N 2 1 346.397 3.403 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455836884 310378867 /nfs/dbraw/zinc/37/88/67/310378867.db2.gz BDTRUPCVLUYGQY-HNAYVOBHSA-N 2 1 346.519 3.477 20 0 EGADMP CC(C)[C@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@H+]1C ZINC000455870261 310380401 /nfs/dbraw/zinc/38/04/01/310380401.db2.gz XADKCNLZPLTBHV-RBUKOAKNSA-N 2 1 344.503 3.039 20 0 EGADMP C[C@@H](NCC(C)(C)C[NH+]1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000477915593 310851750 /nfs/dbraw/zinc/85/17/50/310851750.db2.gz LDXTWQMKFRUMMX-GOSISDBHSA-N 2 1 347.547 3.400 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]C[C@H]2CCSC2)C[C@H](C)O1 ZINC000486974986 311005292 /nfs/dbraw/zinc/00/52/92/311005292.db2.gz XMDVFVWLLUGCJY-IXDOHACOSA-N 2 1 334.529 3.139 20 0 EGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)CC[N@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000487430369 311023183 /nfs/dbraw/zinc/02/31/83/311023183.db2.gz LOOCLOFVYIBWKQ-LQWHRVPQSA-N 2 1 345.531 3.367 20 0 EGADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(C)cc2F)CC1 ZINC000488364840 311062549 /nfs/dbraw/zinc/06/25/49/311062549.db2.gz WTSAYBWRKLADBB-UHFFFAOYSA-N 2 1 335.467 3.126 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000492769105 311288833 /nfs/dbraw/zinc/28/88/33/311288833.db2.gz LZFLGOZDOZZTPK-WBVHZDCISA-N 2 1 337.508 3.016 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)N(C)C2CCCCC2)C1 ZINC000506471533 312049649 /nfs/dbraw/zinc/04/96/49/312049649.db2.gz CWXKNZSDWAUGJW-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP c1ccc(N2CC[NH+](CCC[N@@H+]3CCC[C@@H]4CCC[C@H]43)CC2)cc1 ZINC000509666319 312122817 /nfs/dbraw/zinc/12/28/17/312122817.db2.gz NVFMHTJGKZIPBX-PZJWPPBQSA-N 2 1 327.516 3.463 20 0 EGADMP c1ccc(N2CC[NH+](CCC[N@H+]3CCC[C@@H]4CCC[C@H]43)CC2)cc1 ZINC000509666319 312122818 /nfs/dbraw/zinc/12/28/18/312122818.db2.gz NVFMHTJGKZIPBX-PZJWPPBQSA-N 2 1 327.516 3.463 20 0 EGADMP c1ccc(N2CC[NH+](CCC[N@@H+]3CCC[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000509666317 312123054 /nfs/dbraw/zinc/12/30/54/312123054.db2.gz NVFMHTJGKZIPBX-FPOVZHCZSA-N 2 1 327.516 3.463 20 0 EGADMP c1ccc(N2CC[NH+](CCC[N@H+]3CCC[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000509666317 312123055 /nfs/dbraw/zinc/12/30/55/312123055.db2.gz NVFMHTJGKZIPBX-FPOVZHCZSA-N 2 1 327.516 3.463 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000512610501 312190093 /nfs/dbraw/zinc/19/00/93/312190093.db2.gz BTISEBFAJWHLPZ-PLACYPQZSA-N 2 1 328.500 3.446 20 0 EGADMP Cc1ccc(C)c(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000512692581 312192441 /nfs/dbraw/zinc/19/24/41/312192441.db2.gz FVXVOBVGAFHPFH-BGYRXZFFSA-N 2 1 329.532 3.294 20 0 EGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000513472515 312211034 /nfs/dbraw/zinc/21/10/34/312211034.db2.gz GNKZGQXWGJXMHB-MOPGFXCFSA-N 2 1 336.907 3.474 20 0 EGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000513472516 312211086 /nfs/dbraw/zinc/21/10/86/312211086.db2.gz GNKZGQXWGJXMHB-OALUTQOASA-N 2 1 336.907 3.474 20 0 EGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000515496261 312286117 /nfs/dbraw/zinc/28/61/17/312286117.db2.gz MJFQNBJGQPRQSS-YZGWKJHDSA-N 2 1 327.472 3.294 20 0 EGADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc(Cl)c1O ZINC000515608623 312291263 /nfs/dbraw/zinc/29/12/63/312291263.db2.gz HYZMRVDPBKPFPL-CYBMUJFWSA-N 2 1 326.868 3.264 20 0 EGADMP Cc1nn(C)c2ncc(C[NH2+][C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cc12 ZINC000516878633 312347909 /nfs/dbraw/zinc/34/79/09/312347909.db2.gz QQHGTCLYWBNNMK-PBHICJAKSA-N 2 1 341.503 3.019 20 0 EGADMP C[C@H]1C[C@H](N(C)C(=O)CCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000517444932 312379539 /nfs/dbraw/zinc/37/95/39/312379539.db2.gz DRNILKWSHMLLOE-AZUAARDMSA-N 2 1 345.531 3.230 20 0 EGADMP Cc1ccc2cc[nH+]c(NCc3ccnc(OCC[NH+](C)C)c3)c2c1 ZINC000521867477 312562758 /nfs/dbraw/zinc/56/27/58/312562758.db2.gz KUPJUQLRJCKYTB-UHFFFAOYSA-N 2 1 336.439 3.491 20 0 EGADMP C[C@H](CC1CCCCC1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000523695351 312629450 /nfs/dbraw/zinc/62/94/50/312629450.db2.gz NRFCXZZPEBZBTQ-MRXNPFEDSA-N 2 1 344.503 3.378 20 0 EGADMP CCc1nccn1[C@@H]1CCC[N@H+]([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000528375711 313076921 /nfs/dbraw/zinc/07/69/21/313076921.db2.gz CSFUOTIRDNMGIC-MSOLQXFVSA-N 2 1 344.503 3.016 20 0 EGADMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000528375711 313076931 /nfs/dbraw/zinc/07/69/31/313076931.db2.gz CSFUOTIRDNMGIC-MSOLQXFVSA-N 2 1 344.503 3.016 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000528392584 313082245 /nfs/dbraw/zinc/08/22/45/313082245.db2.gz ULKOZKHIFXQSGY-UYAOXDASSA-N 2 1 334.479 3.191 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000528397372 313084211 /nfs/dbraw/zinc/08/42/11/313084211.db2.gz KBPBQSYQHBGZBI-RTBURBONSA-N 2 1 331.435 3.053 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000528397372 313084214 /nfs/dbraw/zinc/08/42/14/313084214.db2.gz KBPBQSYQHBGZBI-RTBURBONSA-N 2 1 331.435 3.053 20 0 EGADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000531677708 313699498 /nfs/dbraw/zinc/69/94/98/313699498.db2.gz QQWCDBJNVVTVHD-SJLPKXTDSA-N 2 1 329.513 3.387 20 0 EGADMP CN(c1ccccc1C[N@H+]1CC[C@@H](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000538749968 314272547 /nfs/dbraw/zinc/27/25/47/314272547.db2.gz QOHOPFLDQRESAY-GOSISDBHSA-N 2 1 327.516 3.449 20 0 EGADMP Cc1ccncc1[C@@H](C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000540083636 314361561 /nfs/dbraw/zinc/36/15/61/314361561.db2.gz AIHIRDBMKWAEFB-NQIIRXRSSA-N 2 1 338.499 3.029 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000540139885 314364555 /nfs/dbraw/zinc/36/45/55/314364555.db2.gz GZXFGPRZMZOXNC-ZIFCJYIRSA-N 2 1 326.488 3.371 20 0 EGADMP CCC[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000540520175 314386477 /nfs/dbraw/zinc/38/64/77/314386477.db2.gz OGOLDVWBGJMKCY-NHCUHLMSSA-N 2 1 329.532 3.457 20 0 EGADMP CCC[C@@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000540520175 314386480 /nfs/dbraw/zinc/38/64/80/314386480.db2.gz OGOLDVWBGJMKCY-NHCUHLMSSA-N 2 1 329.532 3.457 20 0 EGADMP CCC[C@@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000540520175 314386482 /nfs/dbraw/zinc/38/64/82/314386482.db2.gz OGOLDVWBGJMKCY-NHCUHLMSSA-N 2 1 329.532 3.457 20 0 EGADMP COc1ccccc1OCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550610133 315130527 /nfs/dbraw/zinc/13/05/27/315130527.db2.gz NEHMBIAUHWJSOK-MOPGFXCFSA-N 2 1 340.467 3.499 20 0 EGADMP COc1ccccc1OCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550610133 315130529 /nfs/dbraw/zinc/13/05/29/315130529.db2.gz NEHMBIAUHWJSOK-MOPGFXCFSA-N 2 1 340.467 3.499 20 0 EGADMP CCc1[nH+]c2ccccc2c(N2CC[NH+](Cc3cnn(C)c3)CC2)c1C ZINC000554545065 315329934 /nfs/dbraw/zinc/32/99/34/315329934.db2.gz QMTARKPRXLDNCT-UHFFFAOYSA-N 2 1 349.482 3.161 20 0 EGADMP COc1ccc2nc(CN3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)sc2c1 ZINC000554886447 315354685 /nfs/dbraw/zinc/35/46/85/315354685.db2.gz KUZFECNSXKCKRW-CJNGLKHVSA-N 2 1 331.485 3.221 20 0 EGADMP CC[C@@H]1CO[C@H](C)C[NH+]1CCCCC[N@@H+]1C[C@H](C)OC[C@@H]1CC ZINC000555022876 315362212 /nfs/dbraw/zinc/36/22/12/315362212.db2.gz RQEGLBIEZIIEIT-QGFMHUBQSA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@@H]1CO[C@H](C)C[N@H+]1CCCCC[NH+]1C[C@H](C)OC[C@@H]1CC ZINC000555022876 315362213 /nfs/dbraw/zinc/36/22/13/315362213.db2.gz RQEGLBIEZIIEIT-QGFMHUBQSA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@@H]1CO[C@H](C)C[N@@H+]1CCCCC[NH+]1C[C@H](C)OC[C@@H]1CC ZINC000555022876 315362217 /nfs/dbraw/zinc/36/22/17/315362217.db2.gz RQEGLBIEZIIEIT-QGFMHUBQSA-N 2 1 326.525 3.155 20 0 EGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)C(C)C)CC1 ZINC000555341891 315380063 /nfs/dbraw/zinc/38/00/63/315380063.db2.gz QZGCFQWWLMOWIL-SFHVURJKSA-N 2 1 345.531 3.052 20 0 EGADMP CC(C)CC[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000563842196 316077622 /nfs/dbraw/zinc/07/76/22/316077622.db2.gz OJXJKTYWVJWMJE-HBMCJLEFSA-N 2 1 330.516 3.237 20 0 EGADMP CC(C)CC[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000563842196 316077624 /nfs/dbraw/zinc/07/76/24/316077624.db2.gz OJXJKTYWVJWMJE-HBMCJLEFSA-N 2 1 330.516 3.237 20 0 EGADMP CC(C)CC[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000563842196 316077629 /nfs/dbraw/zinc/07/76/29/316077629.db2.gz OJXJKTYWVJWMJE-HBMCJLEFSA-N 2 1 330.516 3.237 20 0 EGADMP C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000564586902 316171555 /nfs/dbraw/zinc/17/15/55/316171555.db2.gz ZAMUOKXTDNDIOZ-LJQANCHMSA-N 2 1 337.467 3.209 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)CC(F)(F)F)CC1 ZINC000564853406 316218169 /nfs/dbraw/zinc/21/81/69/316218169.db2.gz DMZNMXDWDAHZOL-XJKSGUPXSA-N 2 1 330.394 3.115 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]CCC(=O)Nc1cccc(F)c1C ZINC000567689686 316655830 /nfs/dbraw/zinc/65/58/30/316655830.db2.gz PAWVQTISRUPZRN-UHFFFAOYSA-N 2 1 332.423 3.038 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000570295746 317036335 /nfs/dbraw/zinc/03/63/35/317036335.db2.gz MAPNZNMZULWZCW-HZPDHXFCSA-N 2 1 344.503 3.146 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@](C)(CC)C3)CC2)CC1 ZINC000570538294 317071686 /nfs/dbraw/zinc/07/16/86/317071686.db2.gz ASAOKDIHGRRSEC-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP COC(=O)[C@@H](CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC000571160755 317159536 /nfs/dbraw/zinc/15/95/36/317159536.db2.gz WGWUWCPNHXCGQJ-FQEVSTJZSA-N 2 1 346.515 3.386 20 0 EGADMP Cc1ccc2[nH]c(C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)nc2c1 ZINC000571753123 317241732 /nfs/dbraw/zinc/24/17/32/317241732.db2.gz ZTCZHJVDNRIICK-NQIIRXRSSA-N 2 1 348.450 3.217 20 0 EGADMP CCCOc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1OC ZINC000572324776 317321142 /nfs/dbraw/zinc/32/11/42/317321142.db2.gz HVMAFRATRMOETH-QZTJIDSGSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1OC ZINC000572324776 317321146 /nfs/dbraw/zinc/32/11/46/317321146.db2.gz HVMAFRATRMOETH-QZTJIDSGSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1OC ZINC000572324776 317321149 /nfs/dbraw/zinc/32/11/49/317321149.db2.gz HVMAFRATRMOETH-QZTJIDSGSA-N 2 1 332.488 3.400 20 0 EGADMP COc1ccc2c(c1)CCC[N@H+](C[C@@H](C[NH3+])c1ccc(F)cc1)C2 ZINC000572593995 317361815 /nfs/dbraw/zinc/36/18/15/317361815.db2.gz PSQDDXYTRXNKII-GOSISDBHSA-N 2 1 328.431 3.325 20 0 EGADMP CC[C@@H](C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000172242822 323273854 /nfs/dbraw/zinc/27/38/54/323273854.db2.gz XSKRDGYGCQDFNW-GOSISDBHSA-N 2 1 345.531 3.276 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2cccc(Br)c2)[C@H](C)C1 ZINC000177926991 323347472 /nfs/dbraw/zinc/34/74/72/323347472.db2.gz OUTIOAMCMSDJPR-CZUORRHYSA-N 2 1 341.293 3.148 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@@H]4CC[NH+]5CCCC[C@H]45)[C@H]3C2)cc1 ZINC000385803316 324263815 /nfs/dbraw/zinc/26/38/15/324263815.db2.gz KKXWGCYTCJSPEN-RTOMLYRKSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[C@H](N[C@@H]4CC[N@@H+]5CCCC[C@H]45)[C@H]3C2)cc1 ZINC000385803316 324263818 /nfs/dbraw/zinc/26/38/18/324263818.db2.gz KKXWGCYTCJSPEN-RTOMLYRKSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[C@H](N[C@@H]4CC[N@H+]5CCCC[C@H]45)[C@H]3C2)cc1 ZINC000385803316 324263822 /nfs/dbraw/zinc/26/38/22/324263822.db2.gz KKXWGCYTCJSPEN-RTOMLYRKSA-N 2 1 339.527 3.113 20 0 EGADMP O[C@@]1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000417949319 324303719 /nfs/dbraw/zinc/30/37/19/324303719.db2.gz WCRDCQZYFQOPDQ-FDFHNCONSA-N 2 1 336.479 3.017 20 0 EGADMP O[C@@]1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000417949319 324303724 /nfs/dbraw/zinc/30/37/24/324303724.db2.gz WCRDCQZYFQOPDQ-FDFHNCONSA-N 2 1 336.479 3.017 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000313815322 456600951 /nfs/dbraw/zinc/60/09/51/456600951.db2.gz WUVNFWDNZJGYOQ-WWGRRREGSA-N 2 1 325.294 3.310 20 0 EGADMP CC(C)(C)[C@H](NC(=O)C[NH+]1CCC(CC[NH3+])CC1)c1cccs1 ZINC000576761713 324677238 /nfs/dbraw/zinc/67/72/38/324677238.db2.gz VFEJCHGFKLUMPZ-QGZVFWFLSA-N 2 1 337.533 3.012 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000313815320 456601487 /nfs/dbraw/zinc/60/14/87/456601487.db2.gz WUVNFWDNZJGYOQ-DVOMOZLQSA-N 2 1 325.294 3.310 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000579287596 325088200 /nfs/dbraw/zinc/08/82/00/325088200.db2.gz LYKYFSGNGLGVIU-IRXDYDNUSA-N 2 1 334.504 3.263 20 0 EGADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000579676095 325142887 /nfs/dbraw/zinc/14/28/87/325142887.db2.gz DJTXCFYTFSONKF-AVRDEDQJSA-N 2 1 338.495 3.189 20 0 EGADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000579676095 325142891 /nfs/dbraw/zinc/14/28/91/325142891.db2.gz DJTXCFYTFSONKF-AVRDEDQJSA-N 2 1 338.495 3.189 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cn1 ZINC000580288981 325229180 /nfs/dbraw/zinc/22/91/80/325229180.db2.gz JDMFOSXTBANLIC-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000580644423 325278048 /nfs/dbraw/zinc/27/80/48/325278048.db2.gz QFJFKVPUNCYAIJ-IEBWSBKVSA-N 2 1 345.531 3.341 20 0 EGADMP CCCc1nc(C)c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000581125314 325332753 /nfs/dbraw/zinc/33/27/53/325332753.db2.gz LOJGZQDAUXUNCU-JXFKEZNVSA-N 2 1 341.455 3.281 20 0 EGADMP CCN(C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000581437148 325361750 /nfs/dbraw/zinc/36/17/50/325361750.db2.gz CDASMPUNVWHAOV-PXNSSMCTSA-N 2 1 342.483 3.229 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](C[C@@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000583408264 325521353 /nfs/dbraw/zinc/52/13/53/325521353.db2.gz OVBXGPMCXVCUQM-AZUAARDMSA-N 2 1 338.536 3.038 20 0 EGADMP Cc1nn(C)c2ncc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000237885457 455229198 /nfs/dbraw/zinc/22/91/98/455229198.db2.gz HYOYPGRAEKZNHS-UHFFFAOYSA-N 2 1 349.482 3.031 20 0 EGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cn(C)nc1-c1cccs1 ZINC000180697828 455229769 /nfs/dbraw/zinc/22/97/69/455229769.db2.gz MQZDJJODAJAKRV-CVEARBPZSA-N 2 1 330.501 3.207 20 0 EGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(C)nc1-c1cccs1 ZINC000180697828 455229771 /nfs/dbraw/zinc/22/97/71/455229771.db2.gz MQZDJJODAJAKRV-CVEARBPZSA-N 2 1 330.501 3.207 20 0 EGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(C)nc1-c1cccs1 ZINC000180697828 455229775 /nfs/dbraw/zinc/22/97/75/455229775.db2.gz MQZDJJODAJAKRV-CVEARBPZSA-N 2 1 330.501 3.207 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000183140639 455237106 /nfs/dbraw/zinc/23/71/06/455237106.db2.gz RDHMZISFDGEVKW-CLAROIROSA-N 3 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000183140639 455237109 /nfs/dbraw/zinc/23/71/09/455237109.db2.gz RDHMZISFDGEVKW-CLAROIROSA-N 3 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000183140639 455237112 /nfs/dbraw/zinc/23/71/12/455237112.db2.gz RDHMZISFDGEVKW-CLAROIROSA-N 3 1 341.543 3.219 20 0 EGADMP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000183140639 455237114 /nfs/dbraw/zinc/23/71/14/455237114.db2.gz RDHMZISFDGEVKW-CLAROIROSA-N 2 1 341.543 3.219 20 0 EGADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000183140639 455237116 /nfs/dbraw/zinc/23/71/16/455237116.db2.gz RDHMZISFDGEVKW-CLAROIROSA-N 2 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000183140639 455237118 /nfs/dbraw/zinc/23/71/18/455237118.db2.gz RDHMZISFDGEVKW-CLAROIROSA-N 2 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000183140639 455237119 /nfs/dbraw/zinc/23/71/19/455237119.db2.gz RDHMZISFDGEVKW-CLAROIROSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000157855954 455240730 /nfs/dbraw/zinc/24/07/30/455240730.db2.gz GYFDQLZLZJFGDJ-OAHLLOKOSA-N 2 1 335.458 3.257 20 0 EGADMP CSc1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000173387851 455277213 /nfs/dbraw/zinc/27/72/13/455277213.db2.gz AQESTPPAHLNZTL-MRXNPFEDSA-N 2 1 335.561 3.333 20 0 EGADMP C[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCCCCC1 ZINC000173572396 455308356 /nfs/dbraw/zinc/30/83/56/455308356.db2.gz RKHVQIZFDANHGM-AQNXPRMDSA-N 2 1 349.563 3.364 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)s1 ZINC000181384871 455326797 /nfs/dbraw/zinc/32/67/97/455326797.db2.gz XTOQOVJLGMVNOI-ZDUSSCGKSA-N 2 1 337.533 3.165 20 0 EGADMP Cc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c2ccccc2[nH+]1 ZINC000029626083 453830354 /nfs/dbraw/zinc/83/03/54/453830354.db2.gz SLVBBEQJQAZMDY-IBGZPJMESA-N 2 1 343.496 3.163 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(Br)c2)CC1 ZINC000035011190 453921940 /nfs/dbraw/zinc/92/19/40/453921940.db2.gz OOEISDRVOBLZNC-UHFFFAOYSA-N 2 1 341.293 3.422 20 0 EGADMP c1ccc(COc2cccc(C[NH2+]C3CC[NH+](C4CC4)CC3)c2)nc1 ZINC000075734415 453923222 /nfs/dbraw/zinc/92/32/22/453923222.db2.gz DVBURWCUIDQJMO-UHFFFAOYSA-N 2 1 337.467 3.377 20 0 EGADMP COc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1OCc1cccnc1 ZINC000068353134 454019731 /nfs/dbraw/zinc/01/97/31/454019731.db2.gz NAFKXNSZAJJYRR-INIZCTEOSA-N 2 1 343.471 3.099 20 0 EGADMP CC[N@@H+](Cc1ccc(OC)nc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000085824086 454040188 /nfs/dbraw/zinc/04/01/88/454040188.db2.gz HIQPCUFWEMQBLN-FQEVSTJZSA-N 2 1 339.483 3.434 20 0 EGADMP CC[N@H+](Cc1ccc(OC)nc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000085824086 454040189 /nfs/dbraw/zinc/04/01/89/454040189.db2.gz HIQPCUFWEMQBLN-FQEVSTJZSA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](Cc1ccc(OC)nc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000085824086 454040192 /nfs/dbraw/zinc/04/01/92/454040192.db2.gz HIQPCUFWEMQBLN-FQEVSTJZSA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](Cc1ccc(OC)nc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000085824086 454040193 /nfs/dbraw/zinc/04/01/93/454040193.db2.gz HIQPCUFWEMQBLN-FQEVSTJZSA-N 2 1 339.483 3.434 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[NH+](C(C)C)CC2)cc1)C1CC1 ZINC000068777120 454052125 /nfs/dbraw/zinc/05/21/25/454052125.db2.gz CJPSHUVXOLGOIO-UHFFFAOYSA-N 2 1 343.515 3.227 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1)C1CC1 ZINC000068777120 454052127 /nfs/dbraw/zinc/05/21/27/454052127.db2.gz CJPSHUVXOLGOIO-UHFFFAOYSA-N 2 1 343.515 3.227 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@H+](C(C)C)CC2)cc1)C1CC1 ZINC000068777120 454052128 /nfs/dbraw/zinc/05/21/28/454052128.db2.gz CJPSHUVXOLGOIO-UHFFFAOYSA-N 2 1 343.515 3.227 20 0 EGADMP c1cc2c(o1)CCC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000190929967 455407558 /nfs/dbraw/zinc/40/75/58/455407558.db2.gz VQNGBBYNEKFZAS-IBGZPJMESA-N 2 1 326.440 3.279 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)C[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000130528019 454202989 /nfs/dbraw/zinc/20/29/89/454202989.db2.gz MIELNIOMLQIJPV-QGZVFWFLSA-N 2 1 343.515 3.067 20 0 EGADMP CSc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130556740 454204723 /nfs/dbraw/zinc/20/47/23/454204723.db2.gz CIVBUXHMBBTETJ-CQSZACIVSA-N 2 1 346.500 3.263 20 0 EGADMP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130556740 454204726 /nfs/dbraw/zinc/20/47/26/454204726.db2.gz CIVBUXHMBBTETJ-CQSZACIVSA-N 2 1 346.500 3.263 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000119672344 454212359 /nfs/dbraw/zinc/21/23/59/454212359.db2.gz INMHAHNOFVLWGT-QCFAMHMHSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000119672344 454212363 /nfs/dbraw/zinc/21/23/63/454212363.db2.gz INMHAHNOFVLWGT-QCFAMHMHSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000119672344 454212365 /nfs/dbraw/zinc/21/23/65/454212365.db2.gz INMHAHNOFVLWGT-QCFAMHMHSA-N 2 1 329.532 3.359 20 0 EGADMP CCC(CC)(C[NH2+][C@@H]1CCNC(=O)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000634962872 460631981 /nfs/dbraw/zinc/63/19/81/460631981.db2.gz DQPKNOFZXNKIAC-AEFFLSMTSA-N 2 1 331.504 3.154 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+]CCN3CCc4ccccc4C3)CC2)cc1 ZINC000131093911 454235608 /nfs/dbraw/zinc/23/56/08/454235608.db2.gz PJJFEPBIPREVNF-UHFFFAOYSA-N 2 1 349.522 3.299 20 0 EGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc2ccccc2n1 ZINC000095967681 454243159 /nfs/dbraw/zinc/24/31/59/454243159.db2.gz GMOWSVJXBNKACF-KRWDZBQOSA-N 2 1 340.515 3.159 20 0 EGADMP Cc1ccccc1NC(=O)CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000072605776 454317308 /nfs/dbraw/zinc/31/73/08/454317308.db2.gz LPZWLDZPVHCGIB-UHFFFAOYSA-N 2 1 331.504 3.376 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000090586056 454323817 /nfs/dbraw/zinc/32/38/17/454323817.db2.gz RZWVKTAPOMZFEF-DLBZAZTESA-N 2 1 332.488 3.476 20 0 EGADMP CC[N@H+]1CC[C@@H](Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)[C@H](C)C1 ZINC000132784362 454365368 /nfs/dbraw/zinc/36/53/68/454365368.db2.gz YHJJMQMTKWPOJI-WIYYLYMNSA-N 2 1 344.547 3.359 20 0 EGADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)n1 ZINC000096484315 454366271 /nfs/dbraw/zinc/36/62/71/454366271.db2.gz HRBXCNAGMIKIGO-TZIWHRDSSA-N 2 1 338.499 3.248 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1)C(C)C ZINC000121156943 454400225 /nfs/dbraw/zinc/40/02/25/454400225.db2.gz FLXIDMCLPWUUJO-PXNSSMCTSA-N 2 1 345.531 3.329 20 0 EGADMP CCOc1ccccc1NC(=O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000047978540 454428499 /nfs/dbraw/zinc/42/84/99/454428499.db2.gz RMBCWJCOWBVFRV-UHFFFAOYSA-N 2 1 347.503 3.078 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000121423528 454433586 /nfs/dbraw/zinc/43/35/86/454433586.db2.gz VEWQYDFAAFIBEO-KBPBESRZSA-N 2 1 348.878 3.488 20 0 EGADMP COCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000121443336 454435734 /nfs/dbraw/zinc/43/57/34/454435734.db2.gz WSFHIWZWYHSTDA-CVEARBPZSA-N 2 1 331.460 3.204 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc2c(c1)OCCO2 ZINC000121443989 454436466 /nfs/dbraw/zinc/43/64/66/454436466.db2.gz YUYKLSJSALAUHJ-RHSMWYFYSA-N 2 1 329.444 3.340 20 0 EGADMP C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121662259 454463838 /nfs/dbraw/zinc/46/38/38/454463838.db2.gz ZHZYWWFPRVXULP-INIZCTEOSA-N 2 1 342.487 3.385 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000092165789 454531411 /nfs/dbraw/zinc/53/14/11/454531411.db2.gz IGOXFUNOFLXZAA-UHFFFAOYSA-N 2 1 336.476 3.019 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000092165789 454531414 /nfs/dbraw/zinc/53/14/14/454531414.db2.gz IGOXFUNOFLXZAA-UHFFFAOYSA-N 2 1 336.476 3.019 20 0 EGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000074181701 454540914 /nfs/dbraw/zinc/54/09/14/454540914.db2.gz VTYYKHSSKMZCMU-MRXNPFEDSA-N 2 1 338.455 3.239 20 0 EGADMP COc1c(C)c[nH+]c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000134891871 454603254 /nfs/dbraw/zinc/60/32/54/454603254.db2.gz LLUPODXJSQCLCY-VQIMIIECSA-N 2 1 329.488 3.156 20 0 EGADMP COc1c(C)c[nH+]c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000134891871 454603258 /nfs/dbraw/zinc/60/32/58/454603258.db2.gz LLUPODXJSQCLCY-VQIMIIECSA-N 2 1 329.488 3.156 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+]CCC[NH+]2CCCCC2)s1 ZINC000092720759 454618139 /nfs/dbraw/zinc/61/81/39/454618139.db2.gz BGASEGBWIQQADD-AWEZNQCLSA-N 2 1 325.522 3.167 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)c1ccccc1 ZINC000092821450 454639518 /nfs/dbraw/zinc/63/95/18/454639518.db2.gz MULLFIVPFCNTRI-NRFANRHFSA-N 2 1 339.483 3.354 20 0 EGADMP Cc1[nH+]ccn1-c1cncc(NCCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000092890917 454649479 /nfs/dbraw/zinc/64/94/79/454649479.db2.gz XGXZUCLJOLDQMG-HNNXBMFYSA-N 2 1 328.464 3.037 20 0 EGADMP Cc1[nH+]ccn1-c1cncc(NCCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000092890917 454649483 /nfs/dbraw/zinc/64/94/83/454649483.db2.gz XGXZUCLJOLDQMG-HNNXBMFYSA-N 2 1 328.464 3.037 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000052209102 454662075 /nfs/dbraw/zinc/66/20/75/454662075.db2.gz CRACOXSAXFUVMK-UHFFFAOYSA-N 2 1 335.467 3.208 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000052209102 454662083 /nfs/dbraw/zinc/66/20/83/454662083.db2.gz CRACOXSAXFUVMK-UHFFFAOYSA-N 2 1 335.467 3.208 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000052442085 454673835 /nfs/dbraw/zinc/67/38/35/454673835.db2.gz NLSUHBBLMOEBCP-UHFFFAOYSA-N 2 1 345.531 3.332 20 0 EGADMP C[N@H+](Cc1c[nH]nc1-c1c(F)cccc1F)CC1CC[NH+](C)CC1 ZINC000093088792 454679997 /nfs/dbraw/zinc/67/99/97/454679997.db2.gz YXJBYFAXZUGWDL-UHFFFAOYSA-N 2 1 334.414 3.129 20 0 EGADMP Cc1ccc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cn1 ZINC000161581001 454704530 /nfs/dbraw/zinc/70/45/30/454704530.db2.gz OEUOCKXWENXPQL-UHFFFAOYSA-N 2 1 341.474 3.368 20 0 EGADMP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)C1CC1 ZINC000135968474 454711864 /nfs/dbraw/zinc/71/18/64/454711864.db2.gz XBNUGUOPLXUJTH-UHFFFAOYSA-N 2 1 329.488 3.341 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000093693847 454730372 /nfs/dbraw/zinc/73/03/72/454730372.db2.gz UOLJPGJTNZXHQC-MRXNPFEDSA-N 2 1 342.487 3.249 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000093693847 454730377 /nfs/dbraw/zinc/73/03/77/454730377.db2.gz UOLJPGJTNZXHQC-MRXNPFEDSA-N 2 1 342.487 3.249 20 0 EGADMP CC[N@@H+](C)C[C@H]1CCN(CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000093770442 454734556 /nfs/dbraw/zinc/73/45/56/454734556.db2.gz DTQPRXVENOCMBD-HXUWFJFHSA-N 2 1 331.548 3.418 20 0 EGADMP CC[NH+](C)C[C@H]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000093770442 454734558 /nfs/dbraw/zinc/73/45/58/454734558.db2.gz DTQPRXVENOCMBD-HXUWFJFHSA-N 2 1 331.548 3.418 20 0 EGADMP CC[NH+](C)C[C@H]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000093770442 454734560 /nfs/dbraw/zinc/73/45/60/454734560.db2.gz DTQPRXVENOCMBD-HXUWFJFHSA-N 2 1 331.548 3.418 20 0 EGADMP C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161973709 454742183 /nfs/dbraw/zinc/74/21/83/454742183.db2.gz UTPZUAAACOTXMZ-DLBZAZTESA-N 2 1 339.524 3.240 20 0 EGADMP C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161973709 454742187 /nfs/dbraw/zinc/74/21/87/454742187.db2.gz UTPZUAAACOTXMZ-DLBZAZTESA-N 2 1 339.524 3.240 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]4OCC[C@@H]43)CC2)cc1 ZINC000124898919 454780629 /nfs/dbraw/zinc/78/06/29/454780629.db2.gz LLNIUAVWEMDZEE-NJYVYQBISA-N 2 1 328.500 3.241 20 0 EGADMP CCOc1ccc(NC(=O)CC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000137691684 454783672 /nfs/dbraw/zinc/78/36/72/454783672.db2.gz VBOMVSCKVUKGQP-GOSISDBHSA-N 2 1 347.503 3.220 20 0 EGADMP CCOc1ccc(NC(=O)CC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000137691684 454783674 /nfs/dbraw/zinc/78/36/74/454783674.db2.gz VBOMVSCKVUKGQP-GOSISDBHSA-N 2 1 347.503 3.220 20 0 EGADMP C(=C/c1ccccc1)\C[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000125118590 454797940 /nfs/dbraw/zinc/79/79/40/454797940.db2.gz IGMBYGYHIDNLRZ-YRNVUSSQSA-N 2 1 327.516 3.193 20 0 EGADMP CN(C(=O)c1cccc(Oc2ccncc2)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000153546794 454805276 /nfs/dbraw/zinc/80/52/76/454805276.db2.gz PRMGNJWUTBWHDR-INIZCTEOSA-N 2 1 325.412 3.040 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC1([NH+]2CCSCC2)CCCCC1 ZINC000163032500 454818298 /nfs/dbraw/zinc/81/82/98/454818298.db2.gz RYVMYWNGOSKCAO-KZNAEPCWSA-N 2 1 339.593 3.056 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000163032500 454818299 /nfs/dbraw/zinc/81/82/99/454818299.db2.gz RYVMYWNGOSKCAO-KZNAEPCWSA-N 2 1 339.593 3.056 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000163032500 454818300 /nfs/dbraw/zinc/81/83/00/454818300.db2.gz RYVMYWNGOSKCAO-KZNAEPCWSA-N 2 1 339.593 3.056 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)c(OC(F)F)c2)[C@H](C)C1 ZINC000153703586 454822695 /nfs/dbraw/zinc/82/26/95/454822695.db2.gz IHHZIVGMRXUTIC-UKRRQHHQSA-N 2 1 342.430 3.159 20 0 EGADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000153815122 454836471 /nfs/dbraw/zinc/83/64/71/454836471.db2.gz LKMHFMOLVJKOGN-NRFANRHFSA-N 2 1 342.458 3.156 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCOC[C@@H]2CCCO2)cc1 ZINC000163501308 454851752 /nfs/dbraw/zinc/85/17/52/454851752.db2.gz GFLKAXKPYHHAMG-UZLBHIALSA-N 2 1 343.471 3.417 20 0 EGADMP C[NH+]1CCC([NH2+][C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC1 ZINC000177323687 454851967 /nfs/dbraw/zinc/85/19/67/454851967.db2.gz GDDPSIDXHSVOLL-QGZVFWFLSA-N 2 1 339.886 3.127 20 0 EGADMP CCCC[N@@H+](C)CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000163527284 454852329 /nfs/dbraw/zinc/85/23/29/454852329.db2.gz BJZOOTJYGDAQMS-UHFFFAOYSA-N 2 1 345.531 3.137 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)nn(-c3ccccc3)c2C)[C@@H](C)C1 ZINC000246387354 455480962 /nfs/dbraw/zinc/48/09/62/455480962.db2.gz APEWIJIQONJMQI-YWZLYKJASA-N 2 1 326.488 3.309 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2c(C)nn(-c3ccccc3)c2C)[C@@H](C)C1 ZINC000246387354 455480968 /nfs/dbraw/zinc/48/09/68/455480968.db2.gz APEWIJIQONJMQI-YWZLYKJASA-N 2 1 326.488 3.309 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000154509795 454902861 /nfs/dbraw/zinc/90/28/61/454902861.db2.gz NJYXEYWASXLQRC-OALUTQOASA-N 2 1 347.547 3.195 20 0 EGADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)c2cccnc12 ZINC000166552118 454913771 /nfs/dbraw/zinc/91/37/71/454913771.db2.gz TXKRRIBWGJEHQK-RYUDHWBXSA-N 2 1 334.261 3.166 20 0 EGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Br)c2cccnc12 ZINC000166552118 454913775 /nfs/dbraw/zinc/91/37/75/454913775.db2.gz TXKRRIBWGJEHQK-RYUDHWBXSA-N 2 1 334.261 3.166 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000113513447 454928029 /nfs/dbraw/zinc/92/80/29/454928029.db2.gz ZTXDFIBYKLOJSG-CQSZACIVSA-N 2 1 330.394 3.358 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000113513445 454928358 /nfs/dbraw/zinc/92/83/58/454928358.db2.gz ZTXDFIBYKLOJSG-AWEZNQCLSA-N 2 1 330.394 3.358 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC000113934060 454939326 /nfs/dbraw/zinc/93/93/26/454939326.db2.gz WAOBUVXLJVAVKW-HMXCVIKNSA-N 2 1 330.516 3.176 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000113934060 454939329 /nfs/dbraw/zinc/93/93/29/454939329.db2.gz WAOBUVXLJVAVKW-HMXCVIKNSA-N 2 1 330.516 3.176 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000113934060 454939331 /nfs/dbraw/zinc/93/93/31/454939331.db2.gz WAOBUVXLJVAVKW-HMXCVIKNSA-N 2 1 330.516 3.176 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000178424885 454954248 /nfs/dbraw/zinc/95/42/48/454954248.db2.gz PXNMDYSBGQCMFU-XJKCOSOUSA-N 2 1 325.294 3.310 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000155370003 454993176 /nfs/dbraw/zinc/99/31/76/454993176.db2.gz XOQPTQXJQNWYOJ-HSMVNMDESA-N 2 1 343.284 3.449 20 0 EGADMP OCCC[N@@H+](CC1CC[NH2+]CC1)C(c1ccccc1)c1ccccc1 ZINC000178972145 454995146 /nfs/dbraw/zinc/99/51/46/454995146.db2.gz INPIUCITWJASNK-UHFFFAOYSA-N 2 1 338.495 3.460 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1Cl ZINC000128311371 455045188 /nfs/dbraw/zinc/04/51/88/455045188.db2.gz QQUOSUDSMLLCCE-OAHLLOKOSA-N 2 1 339.911 3.027 20 0 EGADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)N(C)C1CCCCC1 ZINC000116395981 455054034 /nfs/dbraw/zinc/05/40/34/455054034.db2.gz UFINSGHBLRMFAA-RDJZCZTQSA-N 2 1 325.541 3.122 20 0 EGADMP COc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc(Cl)c1OC ZINC000623654479 460660860 /nfs/dbraw/zinc/66/08/60/460660860.db2.gz AQLDWBGJCVSZKZ-CYBMUJFWSA-N 2 1 326.868 3.179 20 0 EGADMP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc(Cl)c1OC ZINC000623654479 460660866 /nfs/dbraw/zinc/66/08/66/460660866.db2.gz AQLDWBGJCVSZKZ-CYBMUJFWSA-N 2 1 326.868 3.179 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000623656087 460662513 /nfs/dbraw/zinc/66/25/13/460662513.db2.gz MPWSUBLTXOGSDD-QUCCMNQESA-N 2 1 332.488 3.066 20 0 EGADMP CCc1ccc2c(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)cc(=O)oc2c1 ZINC000118841441 455113252 /nfs/dbraw/zinc/11/32/52/455113252.db2.gz YRFBPRGDGJWKMC-MRXNPFEDSA-N 2 1 328.456 3.129 20 0 EGADMP CCc1ccc2c(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)cc(=O)oc2c1 ZINC000118841441 455113255 /nfs/dbraw/zinc/11/32/55/455113255.db2.gz YRFBPRGDGJWKMC-MRXNPFEDSA-N 2 1 328.456 3.129 20 0 EGADMP CCc1ccc2c(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)cc(=O)oc2c1 ZINC000118841441 455113256 /nfs/dbraw/zinc/11/32/56/455113256.db2.gz YRFBPRGDGJWKMC-MRXNPFEDSA-N 2 1 328.456 3.129 20 0 EGADMP CCc1ccc2c(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)cc(=O)oc2c1 ZINC000118841441 455113258 /nfs/dbraw/zinc/11/32/58/455113258.db2.gz YRFBPRGDGJWKMC-MRXNPFEDSA-N 2 1 328.456 3.129 20 0 EGADMP CCc1ccc2c(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)cc(=O)oc2c1 ZINC000118841442 455114281 /nfs/dbraw/zinc/11/42/81/455114281.db2.gz YRFBPRGDGJWKMC-INIZCTEOSA-N 2 1 328.456 3.129 20 0 EGADMP CCc1ccc2c(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)cc(=O)oc2c1 ZINC000118841442 455114284 /nfs/dbraw/zinc/11/42/84/455114284.db2.gz YRFBPRGDGJWKMC-INIZCTEOSA-N 2 1 328.456 3.129 20 0 EGADMP CCc1ccc2c(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)cc(=O)oc2c1 ZINC000118841442 455114291 /nfs/dbraw/zinc/11/42/91/455114291.db2.gz YRFBPRGDGJWKMC-INIZCTEOSA-N 2 1 328.456 3.129 20 0 EGADMP CCc1ccc2c(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)cc(=O)oc2c1 ZINC000118841442 455114295 /nfs/dbraw/zinc/11/42/95/455114295.db2.gz YRFBPRGDGJWKMC-INIZCTEOSA-N 2 1 328.456 3.129 20 0 EGADMP COC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000152445075 455120691 /nfs/dbraw/zinc/12/06/91/455120691.db2.gz SBOODPNSBMOFJF-SUMWQHHRSA-N 2 1 342.405 3.467 20 0 EGADMP COC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000152445075 455120694 /nfs/dbraw/zinc/12/06/94/455120694.db2.gz SBOODPNSBMOFJF-SUMWQHHRSA-N 2 1 342.405 3.467 20 0 EGADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cnn1-c1ccc(F)cc1 ZINC000152481194 455124872 /nfs/dbraw/zinc/12/48/72/455124872.db2.gz DOAILKOSDVHMHN-HOCLYGCPSA-N 2 1 342.462 3.455 20 0 EGADMP CC[N@@H+](CCNC1CC[NH+](CCc2ccc(F)cc2)CC1)C(C)C ZINC000156599933 455136586 /nfs/dbraw/zinc/13/65/86/455136586.db2.gz OZGJTBVHQHPVQP-UHFFFAOYSA-N 2 1 335.511 3.153 20 0 EGADMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OC(F)F ZINC000172629419 455165399 /nfs/dbraw/zinc/16/53/99/455165399.db2.gz LXQSWNOIZMZWAB-CQSZACIVSA-N 2 1 328.403 3.070 20 0 EGADMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OC(F)F ZINC000172629419 455165402 /nfs/dbraw/zinc/16/54/02/455165402.db2.gz LXQSWNOIZMZWAB-CQSZACIVSA-N 2 1 328.403 3.070 20 0 EGADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1OC(F)F ZINC000172629419 455165404 /nfs/dbraw/zinc/16/54/04/455165404.db2.gz LXQSWNOIZMZWAB-CQSZACIVSA-N 2 1 328.403 3.070 20 0 EGADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1OC(F)F ZINC000172629419 455165406 /nfs/dbraw/zinc/16/54/06/455165406.db2.gz LXQSWNOIZMZWAB-CQSZACIVSA-N 2 1 328.403 3.070 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189272723 455167423 /nfs/dbraw/zinc/16/74/23/455167423.db2.gz FKKRELRTDZXSPW-RBUKOAKNSA-N 2 1 330.451 3.033 20 0 EGADMP C[C@H]1C[C@H](N(C)C(=O)C2([NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000237560307 455195337 /nfs/dbraw/zinc/19/53/37/455195337.db2.gz CENOIXQGBWWDSP-PKOBYXMFSA-N 2 1 343.515 3.160 20 0 EGADMP COCCCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000264393405 455204161 /nfs/dbraw/zinc/20/41/61/455204161.db2.gz SRQHCAJZBQUWLP-OAQYLSRUSA-N 2 1 348.531 3.181 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cc1 ZINC000180640600 455216158 /nfs/dbraw/zinc/21/61/58/455216158.db2.gz YIXRUAXUTISQOW-QRWLVFNGSA-N 2 1 328.431 3.243 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000245436541 455299269 /nfs/dbraw/zinc/29/92/69/455299269.db2.gz RBYLJNWTJGIPPI-WOJBJXKFSA-N 2 1 348.531 3.015 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000245436541 455299271 /nfs/dbraw/zinc/29/92/71/455299271.db2.gz RBYLJNWTJGIPPI-WOJBJXKFSA-N 2 1 348.531 3.015 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000245436541 455299273 /nfs/dbraw/zinc/29/92/73/455299273.db2.gz RBYLJNWTJGIPPI-WOJBJXKFSA-N 2 1 348.531 3.015 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000245436541 455299276 /nfs/dbraw/zinc/29/92/76/455299276.db2.gz RBYLJNWTJGIPPI-WOJBJXKFSA-N 2 1 348.531 3.015 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Cc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000245580230 455335242 /nfs/dbraw/zinc/33/52/42/455335242.db2.gz GVEHFAAUQMMCPF-BQFCYCMXSA-N 2 1 334.504 3.202 20 0 EGADMP CCN(C)c1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cn1 ZINC000190905733 455402131 /nfs/dbraw/zinc/40/21/31/455402131.db2.gz GHIRTHKDDUWHQP-UHFFFAOYSA-N 2 1 330.520 3.282 20 0 EGADMP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266917013 455474289 /nfs/dbraw/zinc/47/42/89/455474289.db2.gz KUUNKAAADFAYGJ-QZTJIDSGSA-N 2 1 340.471 3.199 20 0 EGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(C)ccc1OC ZINC000246345687 455474475 /nfs/dbraw/zinc/47/44/75/455474475.db2.gz HFZMCXKVXBQAFH-PKOBYXMFSA-N 2 1 334.504 3.281 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(F)cc(F)c1 ZINC000182271927 455477551 /nfs/dbraw/zinc/47/75/51/455477551.db2.gz DQDLRPHKEMAFQD-XOBRGWDASA-N 2 1 346.421 3.382 20 0 EGADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000246705757 455518660 /nfs/dbraw/zinc/51/86/60/455518660.db2.gz ZOZAOKGJVROLME-NSISKUIASA-N 2 1 343.515 3.052 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000246915447 455535392 /nfs/dbraw/zinc/53/53/92/455535392.db2.gz GLRWERFVGCBRLL-CVEARBPZSA-N 2 1 331.460 3.026 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC000247085117 455557723 /nfs/dbraw/zinc/55/77/23/455557723.db2.gz WAOBUVXLJVAVKW-HLAWJBBLSA-N 2 1 330.516 3.176 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000247085117 455557727 /nfs/dbraw/zinc/55/77/27/455557727.db2.gz WAOBUVXLJVAVKW-HLAWJBBLSA-N 2 1 330.516 3.176 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000247085117 455557729 /nfs/dbraw/zinc/55/77/29/455557729.db2.gz WAOBUVXLJVAVKW-HLAWJBBLSA-N 2 1 330.516 3.176 20 0 EGADMP C[C@@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000247133168 455565359 /nfs/dbraw/zinc/56/53/59/455565359.db2.gz ZVSVKQJSVXYBQE-UEDWAMCQSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+](CCCN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000247267569 455580688 /nfs/dbraw/zinc/58/06/88/455580688.db2.gz ZRDFPYZBBPCXBP-TZIWHRDSSA-N 2 1 346.563 3.391 20 0 EGADMP CC(C)[NH+](CCCN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000247267569 455580692 /nfs/dbraw/zinc/58/06/92/455580692.db2.gz ZRDFPYZBBPCXBP-TZIWHRDSSA-N 2 1 346.563 3.391 20 0 EGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2sccc2CN(C)C)C1 ZINC000268059004 455586359 /nfs/dbraw/zinc/58/63/59/455586359.db2.gz ZMMAWINMWZERJK-AWEZNQCLSA-N 2 1 337.533 3.050 20 0 EGADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000268059004 455586363 /nfs/dbraw/zinc/58/63/63/455586363.db2.gz ZMMAWINMWZERJK-AWEZNQCLSA-N 2 1 337.533 3.050 20 0 EGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000268059004 455586366 /nfs/dbraw/zinc/58/63/66/455586366.db2.gz ZMMAWINMWZERJK-AWEZNQCLSA-N 2 1 337.533 3.050 20 0 EGADMP CCN(C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1CCCCC1 ZINC000185660309 455591438 /nfs/dbraw/zinc/59/14/38/455591438.db2.gz VFQHLKMVYSTLCW-ZWKOTPCHSA-N 2 1 349.563 3.410 20 0 EGADMP CCN(C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CCCCC1 ZINC000185660309 455591442 /nfs/dbraw/zinc/59/14/42/455591442.db2.gz VFQHLKMVYSTLCW-ZWKOTPCHSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1cc(C)cc(NC(=O)CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185684088 455596315 /nfs/dbraw/zinc/59/63/15/455596315.db2.gz NHKBVAHACAZWSF-QZTJIDSGSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1cc(C)cc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185684088 455596322 /nfs/dbraw/zinc/59/63/22/455596322.db2.gz NHKBVAHACAZWSF-QZTJIDSGSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1cc(C)cc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185684088 455596328 /nfs/dbraw/zinc/59/63/28/455596328.db2.gz NHKBVAHACAZWSF-QZTJIDSGSA-N 2 1 343.515 3.485 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185736513 455610182 /nfs/dbraw/zinc/61/01/82/455610182.db2.gz GNDSWRNADNYRCI-IXDOHACOSA-N 2 1 329.488 3.256 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185736513 455610191 /nfs/dbraw/zinc/61/01/91/455610191.db2.gz GNDSWRNADNYRCI-IXDOHACOSA-N 2 1 329.488 3.256 20 0 EGADMP C[C@H]1CN(CCC[NH2+]Cc2ccc(OC(F)F)c(F)c2)CCCO1 ZINC000277637589 455620552 /nfs/dbraw/zinc/62/05/52/455620552.db2.gz CRDYSXRSRRKPRG-ZDUSSCGKSA-N 2 1 346.393 3.018 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(OC(F)F)c(F)c2)CCCO1 ZINC000277637589 455620558 /nfs/dbraw/zinc/62/05/58/455620558.db2.gz CRDYSXRSRRKPRG-ZDUSSCGKSA-N 2 1 346.393 3.018 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OC(F)F)c(F)c2)CCCO1 ZINC000277637589 455620562 /nfs/dbraw/zinc/62/05/62/455620562.db2.gz CRDYSXRSRRKPRG-ZDUSSCGKSA-N 2 1 346.393 3.018 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000247657605 455635104 /nfs/dbraw/zinc/63/51/04/455635104.db2.gz PSEHYNSCZZXDER-ROUUACIJSA-N 2 1 326.488 3.421 20 0 EGADMP CC(C)CO[C@@H]1CC[NH+](CC(C)C[N@@H+]2CC[C@@H](OCC(C)C)C2)C1 ZINC000247670689 455636132 /nfs/dbraw/zinc/63/61/32/455636132.db2.gz QVNZTUWBIIZXPT-WOJBJXKFSA-N 2 1 340.552 3.116 20 0 EGADMP C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000247685217 455638222 /nfs/dbraw/zinc/63/82/22/455638222.db2.gz UXDGXZHPUYIJEG-MAUKXSAKSA-N 2 1 349.906 3.077 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000247685217 455638224 /nfs/dbraw/zinc/63/82/24/455638224.db2.gz UXDGXZHPUYIJEG-MAUKXSAKSA-N 2 1 349.906 3.077 20 0 EGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000247936677 455655699 /nfs/dbraw/zinc/65/56/99/455655699.db2.gz CPAUHDCVBZHLDN-VQTJNVASSA-N 2 1 336.495 3.219 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(CCOCC4CC4)CC[C@H]32)cc1 ZINC000247987057 455666047 /nfs/dbraw/zinc/66/60/47/455666047.db2.gz IXWLQAQGPLHNPY-NHCUHLMSSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCOCC4CC4)CC[C@H]32)cc1 ZINC000247987057 455666048 /nfs/dbraw/zinc/66/60/48/455666048.db2.gz IXWLQAQGPLHNPY-NHCUHLMSSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCOCC4CC4)CC[C@H]32)cc1 ZINC000247987057 455666049 /nfs/dbraw/zinc/66/60/49/455666049.db2.gz IXWLQAQGPLHNPY-NHCUHLMSSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCOCC4CC4)CC[C@H]32)cc1 ZINC000247987057 455666051 /nfs/dbraw/zinc/66/60/51/455666051.db2.gz IXWLQAQGPLHNPY-NHCUHLMSSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCOCC4CC4)CC[C@H]32)cc1 ZINC000247987057 455666053 /nfs/dbraw/zinc/66/60/53/455666053.db2.gz IXWLQAQGPLHNPY-NHCUHLMSSA-N 2 1 328.500 3.400 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)CC1 ZINC000192743537 455683615 /nfs/dbraw/zinc/68/36/15/455683615.db2.gz ADNGDWLOJCXVEL-HXUWFJFHSA-N 2 1 347.522 3.106 20 0 EGADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000186154692 455704637 /nfs/dbraw/zinc/70/46/37/455704637.db2.gz CYNAAPWXGKFSDE-FQEVSTJZSA-N 2 1 329.532 3.298 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(Br)s2)CCCO1 ZINC000277931600 455712415 /nfs/dbraw/zinc/71/24/15/455712415.db2.gz QNZITXHBWNWTDK-LBPRGKRZSA-N 2 1 347.322 3.101 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Br)s2)CCCO1 ZINC000277931600 455712420 /nfs/dbraw/zinc/71/24/20/455712420.db2.gz QNZITXHBWNWTDK-LBPRGKRZSA-N 2 1 347.322 3.101 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000271655126 455713019 /nfs/dbraw/zinc/71/30/19/455713019.db2.gz CCCHSFGBOMAMBT-LAUBAEHRSA-N 2 1 346.515 3.386 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc2ccccc2n1 ZINC000268884641 455717999 /nfs/dbraw/zinc/71/79/99/455717999.db2.gz IGVOAXAKVJRISS-WMZOPIPTSA-N 2 1 327.472 3.122 20 0 EGADMP CC(C)c1nc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cs1 ZINC000186331785 455744945 /nfs/dbraw/zinc/74/49/45/455744945.db2.gz REWSYSOGFKSUTK-HUUCEWRRSA-N 2 1 325.522 3.154 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCOCC(F)F ZINC000249389049 455752900 /nfs/dbraw/zinc/75/29/00/455752900.db2.gz RQFMDHHTCIWALJ-HWWDLCQESA-N 2 1 326.431 3.014 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000268995728 455757626 /nfs/dbraw/zinc/75/76/26/455757626.db2.gz IIKSZIGSEHGANT-LZQZEXGQSA-N 2 1 330.497 3.424 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000268995728 455757630 /nfs/dbraw/zinc/75/76/30/455757630.db2.gz IIKSZIGSEHGANT-LZQZEXGQSA-N 2 1 330.497 3.424 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cccc(N2CCCC2=O)c1 ZINC000271789507 455761030 /nfs/dbraw/zinc/76/10/30/455761030.db2.gz JUBPGOACLFOUKF-FUHWJXTLSA-N 2 1 329.488 3.338 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cccc(N2CCCC2=O)c1 ZINC000271789507 455761033 /nfs/dbraw/zinc/76/10/33/455761033.db2.gz JUBPGOACLFOUKF-FUHWJXTLSA-N 2 1 329.488 3.338 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000249770132 455775477 /nfs/dbraw/zinc/77/54/77/455775477.db2.gz AWLKVBGFAAUYIX-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP COc1ccc(C(=O)CCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000285283183 455816423 /nfs/dbraw/zinc/81/64/23/455816423.db2.gz AQNGGVDMEVFTPD-YLJYHZDGSA-N 2 1 342.483 3.217 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000278354507 455826939 /nfs/dbraw/zinc/82/69/39/455826939.db2.gz AZZDZEWQZFUVNI-QZTJIDSGSA-N 2 1 342.487 3.024 20 0 EGADMP COc1ccccc1O[C@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000285389715 455834752 /nfs/dbraw/zinc/83/47/52/455834752.db2.gz AEPUEUAERBMXQU-KRWDZBQOSA-N 2 1 329.444 3.134 20 0 EGADMP COc1ccccc1O[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000285389715 455834758 /nfs/dbraw/zinc/83/47/58/455834758.db2.gz AEPUEUAERBMXQU-KRWDZBQOSA-N 2 1 329.444 3.134 20 0 EGADMP Cc1ncc(CN(C)C/C=C\C[N@H+](C)Cc2cnc(C)s2)s1 ZINC000255766065 455873554 /nfs/dbraw/zinc/87/35/54/455873554.db2.gz CWGUBOZGYKVJQM-WAYWQWQTSA-N 2 1 336.530 3.336 20 0 EGADMP Cc1ncc(C[NH+](C)C/C=C\C[N@@H+](C)Cc2cnc(C)s2)s1 ZINC000255766065 455873564 /nfs/dbraw/zinc/87/35/64/455873564.db2.gz CWGUBOZGYKVJQM-WAYWQWQTSA-N 2 1 336.530 3.336 20 0 EGADMP Cc1ncc(C[NH+](C)C/C=C\C[N@H+](C)Cc2cnc(C)s2)s1 ZINC000255766065 455873568 /nfs/dbraw/zinc/87/35/68/455873568.db2.gz CWGUBOZGYKVJQM-WAYWQWQTSA-N 2 1 336.530 3.336 20 0 EGADMP Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000285587167 455876137 /nfs/dbraw/zinc/87/61/37/455876137.db2.gz HQDAFBJKMNHHBP-KCITZHQASA-N 2 1 336.426 3.481 20 0 EGADMP CN(CCC[N@H+](C)Cc1cc(F)cc2c1OCOC2)Cc1ccco1 ZINC000285665946 455891794 /nfs/dbraw/zinc/89/17/94/455891794.db2.gz NCWNPSAQKJBNOA-UHFFFAOYSA-N 2 1 348.418 3.239 20 0 EGADMP CN(CCC[N@@H+](C)Cc1cc(F)cc2c1OCOC2)Cc1ccco1 ZINC000285665946 455891801 /nfs/dbraw/zinc/89/18/01/455891801.db2.gz NCWNPSAQKJBNOA-UHFFFAOYSA-N 2 1 348.418 3.239 20 0 EGADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261619933 455914868 /nfs/dbraw/zinc/91/48/68/455914868.db2.gz GGYRMEHXHFRZJP-OCCSQVGLSA-N 2 1 328.287 3.034 20 0 EGADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261619933 455914871 /nfs/dbraw/zinc/91/48/71/455914871.db2.gz GGYRMEHXHFRZJP-OCCSQVGLSA-N 2 1 328.287 3.034 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](N)C2)c(-c2cnn(C)c2)c1 ZINC000261644311 455919977 /nfs/dbraw/zinc/91/99/77/455919977.db2.gz AMSCOICLKVIEHX-FCHUYYIVSA-N 2 1 346.478 3.322 20 0 EGADMP Cc1ccc(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000261644311 455919982 /nfs/dbraw/zinc/91/99/82/455919982.db2.gz AMSCOICLKVIEHX-FCHUYYIVSA-N 2 1 346.478 3.322 20 0 EGADMP CN(CCC[N@@H+](C)C[C@@H](O)c1c(F)cccc1F)Cc1ccco1 ZINC000285832258 455925616 /nfs/dbraw/zinc/92/56/16/455925616.db2.gz WXJJRYRKVPMGSB-QGZVFWFLSA-N 2 1 338.398 3.045 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000195135605 455925939 /nfs/dbraw/zinc/92/59/39/455925939.db2.gz KDENHHGLPDEEFY-BURNTYAHSA-N 2 1 340.511 3.446 20 0 EGADMP COc1cc(C)[nH+]c(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000270367995 455940098 /nfs/dbraw/zinc/94/00/98/455940098.db2.gz YUUQDMQXFCWFBX-LJQANCHMSA-N 2 1 339.483 3.353 20 0 EGADMP COc1cc(C)[nH+]c(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000270367995 455940101 /nfs/dbraw/zinc/94/01/01/455940101.db2.gz YUUQDMQXFCWFBX-LJQANCHMSA-N 2 1 339.483 3.353 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261865810 455961379 /nfs/dbraw/zinc/96/13/79/455961379.db2.gz SPDORZKVKHZFHB-MRUHUIDDSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261865810 455961384 /nfs/dbraw/zinc/96/13/84/455961384.db2.gz SPDORZKVKHZFHB-MRUHUIDDSA-N 2 1 339.483 3.076 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000261875589 455962797 /nfs/dbraw/zinc/96/27/97/455962797.db2.gz YJBJBXBWMFIPOQ-SJLPKXTDSA-N 2 1 340.471 3.368 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000261887639 455965651 /nfs/dbraw/zinc/96/56/51/455965651.db2.gz VMIZXRLZIFZEOH-IRXDYDNUSA-N 2 1 329.488 3.389 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000262035158 455989084 /nfs/dbraw/zinc/98/90/84/455989084.db2.gz ZKULLYNCOJZJLE-LBPRGKRZSA-N 2 1 344.286 3.383 20 0 EGADMP Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000296615131 455989743 /nfs/dbraw/zinc/98/97/43/455989743.db2.gz ZLFPCOJLDHVYBO-HXUWFJFHSA-N 2 1 339.483 3.151 20 0 EGADMP COc1cc(C[N@@H+](C)CCn2ccnc2C)c(SC)cc1OC ZINC000270618041 455997216 /nfs/dbraw/zinc/99/72/16/455997216.db2.gz CTSJPTUASKBPJX-UHFFFAOYSA-N 2 1 335.473 3.063 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000272571720 455998445 /nfs/dbraw/zinc/99/84/45/455998445.db2.gz FTLNFNPYEHLQLG-ICSRJNTNSA-N 2 1 343.515 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000272571720 455998450 /nfs/dbraw/zinc/99/84/50/455998450.db2.gz FTLNFNPYEHLQLG-ICSRJNTNSA-N 2 1 343.515 3.085 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000270658412 456008147 /nfs/dbraw/zinc/00/81/47/456008147.db2.gz QCVQHXKVVHRPDW-IBGZPJMESA-N 2 1 339.439 3.410 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000270658412 456008151 /nfs/dbraw/zinc/00/81/51/456008151.db2.gz QCVQHXKVVHRPDW-IBGZPJMESA-N 2 1 339.439 3.410 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272604447 456009977 /nfs/dbraw/zinc/00/99/77/456009977.db2.gz YYNFKTXHDKNCON-VLCRHTCISA-N 2 1 338.495 3.090 20 0 EGADMP Cc1ccnc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000286361833 456032987 /nfs/dbraw/zinc/03/29/87/456032987.db2.gz ZTIQQVLDFREFRQ-XLIONFOSSA-N 2 1 339.483 3.198 20 0 EGADMP Cc1ccnc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000286361833 456032989 /nfs/dbraw/zinc/03/29/89/456032989.db2.gz ZTIQQVLDFREFRQ-XLIONFOSSA-N 2 1 339.483 3.198 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000272903601 456108125 /nfs/dbraw/zinc/10/81/25/456108125.db2.gz PZWXKTHQLCZROP-SECBINFHSA-N 2 1 349.788 3.023 20 0 EGADMP C[C@@H](O)c1ncc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000290085648 456235979 /nfs/dbraw/zinc/23/59/79/456235979.db2.gz QYMZZZWDQVMYFT-NVXWUHKLSA-N 2 1 345.512 3.150 20 0 EGADMP C[C@H](O)c1ncc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000290085643 456236351 /nfs/dbraw/zinc/23/63/51/456236351.db2.gz QYMZZZWDQVMYFT-DOTOQJQBSA-N 2 1 345.512 3.150 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000302100949 456287458 /nfs/dbraw/zinc/28/74/58/456287458.db2.gz LVORXVACANBXBF-IRXDYDNUSA-N 2 1 341.540 3.103 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(-c2ccccc2)n1 ZINC000290331608 456295515 /nfs/dbraw/zinc/29/55/15/456295515.db2.gz DUIMAFGLTZQEHH-IBGZPJMESA-N 2 1 338.499 3.251 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)NC2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340192082 456304062 /nfs/dbraw/zinc/30/40/62/456304062.db2.gz WXMRTRVLCNSGKR-WOJBJXKFSA-N 2 1 343.515 3.251 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)NC2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340192082 456304070 /nfs/dbraw/zinc/30/40/70/456304070.db2.gz WXMRTRVLCNSGKR-WOJBJXKFSA-N 2 1 343.515 3.251 20 0 EGADMP COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000340200302 456309162 /nfs/dbraw/zinc/30/91/62/456309162.db2.gz VCNDKHIDIFQULK-BBWFWOEESA-N 2 1 334.504 3.199 20 0 EGADMP Cc1noc(C)c1CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336793340 456310215 /nfs/dbraw/zinc/31/02/15/456310215.db2.gz WHUYMGQLFBOXGZ-WOJBJXKFSA-N 2 1 339.483 3.288 20 0 EGADMP Cc1noc(C)c1CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336793340 456310222 /nfs/dbraw/zinc/31/02/22/456310222.db2.gz WHUYMGQLFBOXGZ-WOJBJXKFSA-N 2 1 339.483 3.288 20 0 EGADMP Cc1noc(C)c1CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336793340 456310226 /nfs/dbraw/zinc/31/02/26/456310226.db2.gz WHUYMGQLFBOXGZ-WOJBJXKFSA-N 2 1 339.483 3.288 20 0 EGADMP COc1ccc([C@@H](C)CC[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352792853 456313875 /nfs/dbraw/zinc/31/38/75/456313875.db2.gz SHIXJRZTDSEZPF-AWEZNQCLSA-N 2 1 333.501 3.497 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)C[C@H]1c1ccccc1 ZINC000340205308 456315401 /nfs/dbraw/zinc/31/54/01/456315401.db2.gz PGDWWFUISRQKMB-QUCCMNQESA-N 2 1 328.431 3.243 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)C[C@H]1c1ccccc1 ZINC000340205308 456315407 /nfs/dbraw/zinc/31/54/07/456315407.db2.gz PGDWWFUISRQKMB-QUCCMNQESA-N 2 1 328.431 3.243 20 0 EGADMP CCOc1c(OC)cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000290440402 456329233 /nfs/dbraw/zinc/32/92/33/456329233.db2.gz LUNKICPWPNOSJA-DLBZAZTESA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000290440402 456329239 /nfs/dbraw/zinc/32/92/39/456329239.db2.gz LUNKICPWPNOSJA-DLBZAZTESA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1OC ZINC000290440402 456329244 /nfs/dbraw/zinc/32/92/44/456329244.db2.gz LUNKICPWPNOSJA-DLBZAZTESA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1OC ZINC000290440402 456329247 /nfs/dbraw/zinc/32/92/47/456329247.db2.gz LUNKICPWPNOSJA-DLBZAZTESA-N 2 1 348.487 3.019 20 0 EGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000340234928 456330549 /nfs/dbraw/zinc/33/05/49/456330549.db2.gz FTHPKLMMMUUVRL-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000297967926 456334041 /nfs/dbraw/zinc/33/40/41/456334041.db2.gz ZRABLEAYVXMPAK-HKUYNNGSSA-N 2 1 346.544 3.471 20 0 EGADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000297967926 456334043 /nfs/dbraw/zinc/33/40/43/456334043.db2.gz ZRABLEAYVXMPAK-HKUYNNGSSA-N 2 1 346.544 3.471 20 0 EGADMP COc1ccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000352829935 456344388 /nfs/dbraw/zinc/34/43/88/456344388.db2.gz ITVATKBGLQKVNG-OAQYLSRUSA-N 2 1 337.467 3.188 20 0 EGADMP CSc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000352848469 456361053 /nfs/dbraw/zinc/36/10/53/456361053.db2.gz VVNNGFBELCFZAN-HZPDHXFCSA-N 2 1 340.558 3.328 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccccc3F)C2)CC1 ZINC000290561669 456364822 /nfs/dbraw/zinc/36/48/22/456364822.db2.gz SKEBXBPYRBHBDN-INIZCTEOSA-N 2 1 342.462 3.380 20 0 EGADMP Cc1ncc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)n1-c1ccccc1 ZINC000290595550 456377430 /nfs/dbraw/zinc/37/74/30/456377430.db2.gz VPLABMLKANIRPY-LJQANCHMSA-N 2 1 338.499 3.344 20 0 EGADMP CO[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(F)(F)F ZINC000340365983 456416657 /nfs/dbraw/zinc/41/66/57/456416657.db2.gz NQYKIMLWWVOWII-OWCLPIDISA-N 2 1 330.394 3.379 20 0 EGADMP CO[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(F)(F)F ZINC000340365983 456416660 /nfs/dbraw/zinc/41/66/60/456416660.db2.gz NQYKIMLWWVOWII-OWCLPIDISA-N 2 1 330.394 3.379 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CCOCC(F)(F)C(F)F)C[C@H]1c1ccccc1 ZINC000340373057 456419866 /nfs/dbraw/zinc/41/98/66/456419866.db2.gz SQWULFPLXLQKEK-GJZGRUSLSA-N 2 1 348.384 3.329 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CCOCC(F)(F)C(F)F)C[C@H]1c1ccccc1 ZINC000340373057 456419878 /nfs/dbraw/zinc/41/98/78/456419878.db2.gz SQWULFPLXLQKEK-GJZGRUSLSA-N 2 1 348.384 3.329 20 0 EGADMP C[C@H]([NH2+]CC[S@](=O)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347957000 456429105 /nfs/dbraw/zinc/42/91/05/456429105.db2.gz MXXBEOGWYUQEOM-MFEFFIJZSA-N 2 1 334.529 3.037 20 0 EGADMP Clc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000340419848 456449543 /nfs/dbraw/zinc/44/95/43/456449543.db2.gz YMFAHMZHABUWAS-SJORKVTESA-N 2 1 330.863 3.447 20 0 EGADMP Clc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000340419848 456449550 /nfs/dbraw/zinc/44/95/50/456449550.db2.gz YMFAHMZHABUWAS-SJORKVTESA-N 2 1 330.863 3.447 20 0 EGADMP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298441275 456458106 /nfs/dbraw/zinc/45/81/06/456458106.db2.gz NMYNGZBCPRDWEX-UHFFFAOYSA-N 3 1 327.516 3.389 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1csc(Cl)c1 ZINC000276560669 456515494 /nfs/dbraw/zinc/51/54/94/456515494.db2.gz RRIGGAAAALOVHP-GLQYFDAESA-N 2 1 328.909 3.430 20 0 EGADMP CCC(C)(C)[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000343312411 456523358 /nfs/dbraw/zinc/52/33/58/456523358.db2.gz RNENBUXSNISFIP-UHFFFAOYSA-N 2 1 345.531 3.150 20 0 EGADMP CCC(C)(C)[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000343312411 456523361 /nfs/dbraw/zinc/52/33/61/456523361.db2.gz RNENBUXSNISFIP-UHFFFAOYSA-N 2 1 345.531 3.150 20 0 EGADMP CCC(C)(C)[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000343312411 456523363 /nfs/dbraw/zinc/52/33/63/456523363.db2.gz RNENBUXSNISFIP-UHFFFAOYSA-N 2 1 345.531 3.150 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187924 456524364 /nfs/dbraw/zinc/52/43/64/456524364.db2.gz QJUKWVSUVJPKRZ-FGZHOGPDSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000348187924 456524368 /nfs/dbraw/zinc/52/43/68/456524368.db2.gz QJUKWVSUVJPKRZ-FGZHOGPDSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000348187924 456524373 /nfs/dbraw/zinc/52/43/73/456524373.db2.gz QJUKWVSUVJPKRZ-FGZHOGPDSA-N 2 1 341.543 3.459 20 0 EGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000282529266 456542300 /nfs/dbraw/zinc/54/23/00/456542300.db2.gz ATYYVORVSLWPOV-INIZCTEOSA-N 2 1 341.503 3.096 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCCC[NH+]1CCCC[C@H]1C)c1ccccc1 ZINC000340599595 456559624 /nfs/dbraw/zinc/55/96/24/456559624.db2.gz SNJHANJZZVDURK-UYAOXDASSA-N 2 1 345.531 3.450 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000340599595 456559626 /nfs/dbraw/zinc/55/96/26/456559626.db2.gz SNJHANJZZVDURK-UYAOXDASSA-N 2 1 345.531 3.450 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000340599595 456559630 /nfs/dbraw/zinc/55/96/30/456559630.db2.gz SNJHANJZZVDURK-UYAOXDASSA-N 2 1 345.531 3.450 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000309796185 456577177 /nfs/dbraw/zinc/57/71/77/456577177.db2.gz ITBUULXAEMPIBE-HOTGVXAUSA-N 2 1 327.513 3.094 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000309796185 456577182 /nfs/dbraw/zinc/57/71/82/456577182.db2.gz ITBUULXAEMPIBE-HOTGVXAUSA-N 2 1 327.513 3.094 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC1 ZINC000310051946 456578401 /nfs/dbraw/zinc/57/84/01/456578401.db2.gz MUPNQIGOUGWVER-KRWDZBQOSA-N 2 1 339.524 3.144 20 0 EGADMP COc1ccc(F)cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310509106 456584041 /nfs/dbraw/zinc/58/40/41/456584041.db2.gz JUTPILZHIVSBHP-QGZVFWFLSA-N 2 1 328.431 3.446 20 0 EGADMP COc1ccc(F)cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310509106 456584046 /nfs/dbraw/zinc/58/40/46/456584046.db2.gz JUTPILZHIVSBHP-QGZVFWFLSA-N 2 1 328.431 3.446 20 0 EGADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)oc1C ZINC000282790101 456626678 /nfs/dbraw/zinc/62/66/78/456626678.db2.gz QCVYXKIBGUKTSN-HNAYVOBHSA-N 2 1 328.456 3.314 20 0 EGADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)oc1C ZINC000282790101 456626682 /nfs/dbraw/zinc/62/66/82/456626682.db2.gz QCVYXKIBGUKTSN-HNAYVOBHSA-N 2 1 328.456 3.314 20 0 EGADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccccc2Cl)n1 ZINC000343488259 456653616 /nfs/dbraw/zinc/65/36/16/456653616.db2.gz OALDPDXJCYQKTF-HOTGVXAUSA-N 2 1 344.890 3.457 20 0 EGADMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2ccccc2Cl)n1 ZINC000343488259 456653619 /nfs/dbraw/zinc/65/36/19/456653619.db2.gz OALDPDXJCYQKTF-HOTGVXAUSA-N 2 1 344.890 3.457 20 0 EGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CC4CCOCC4)C3)CC2)cc1 ZINC000291489438 456658365 /nfs/dbraw/zinc/65/83/65/456658365.db2.gz SKBQZPBWHZKYEJ-UHFFFAOYSA-N 2 1 328.500 3.401 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NCc2ncnn2C(C)(C)C)cc1 ZINC000282907869 456661338 /nfs/dbraw/zinc/66/13/38/456661338.db2.gz XETVCVBVASIIPL-AWEZNQCLSA-N 2 1 338.459 3.378 20 0 EGADMP COc1cccc2c(N3C[C@@H](SC)[C@@H]([NH+](C)C)C3)cc(C)[nH+]c12 ZINC000340743308 456662376 /nfs/dbraw/zinc/66/23/76/456662376.db2.gz MADWFWLRTOLPNO-DOTOQJQBSA-N 2 1 331.485 3.034 20 0 EGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3nc(C4CC4)cs3)CC2)C[C@H](C)O1 ZINC000343522999 456680533 /nfs/dbraw/zinc/68/05/33/456680533.db2.gz IHVMTTYTIAGAAY-GJZGRUSLSA-N 2 1 349.544 3.342 20 0 EGADMP [NH3+]CCCOC1CC[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000325181500 456681366 /nfs/dbraw/zinc/68/13/66/456681366.db2.gz ATRXBGXBKVIIFF-UHFFFAOYSA-N 2 1 349.862 3.325 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000299474814 456704792 /nfs/dbraw/zinc/70/47/92/456704792.db2.gz BDBHEJPOZAFQAC-MRXNPFEDSA-N 2 1 347.528 3.048 20 0 EGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CS1 ZINC000277228880 456733946 /nfs/dbraw/zinc/73/39/46/456733946.db2.gz MCGUGQNBQCTQIS-OTWHNJEPSA-N 2 1 348.556 3.263 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OCc2ccncc2)C1 ZINC000353585663 456784229 /nfs/dbraw/zinc/78/42/29/456784229.db2.gz UTZMDTNHWKWSRU-GOSISDBHSA-N 2 1 325.456 3.044 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccncc2)C1 ZINC000353585663 456784236 /nfs/dbraw/zinc/78/42/36/456784236.db2.gz UTZMDTNHWKWSRU-GOSISDBHSA-N 2 1 325.456 3.044 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000344469333 456829742 /nfs/dbraw/zinc/82/97/42/456829742.db2.gz BKDOSNVGOQGTDN-DBXWQHBBSA-N 2 1 340.515 3.328 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC[C@H]3CCC[NH2+]3)cc2)C1 ZINC000292198932 456883057 /nfs/dbraw/zinc/88/30/57/456883057.db2.gz YCSCCHMKHFDAQL-SJLPKXTDSA-N 2 1 329.488 3.389 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)c2ccc3c[nH+]cn3c2)cc1Cl ZINC000341669826 456891850 /nfs/dbraw/zinc/89/18/50/456891850.db2.gz UQCLOCGKGLUYNG-UHFFFAOYSA-N 2 1 328.803 3.302 20 0 EGADMP O=C(Nc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1)c1ccco1 ZINC000339073041 456926748 /nfs/dbraw/zinc/92/67/48/456926748.db2.gz ZBOSGKCCCGVSBL-MSOLQXFVSA-N 2 1 339.439 3.248 20 0 EGADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cnn4ccccc34)CC2)C1 ZINC000353891868 456953258 /nfs/dbraw/zinc/95/32/58/456953258.db2.gz YNJKNRUJBYEIKK-QFBILLFUSA-N 2 1 326.488 3.467 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000341839345 456966958 /nfs/dbraw/zinc/96/69/58/456966958.db2.gz JJVGGHAFPGPOBN-KRWDZBQOSA-N 2 1 331.504 3.085 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000353934818 456971565 /nfs/dbraw/zinc/97/15/65/456971565.db2.gz YIEQNPVYPMFFCQ-MXSMSXNCSA-N 2 1 332.488 3.412 20 0 EGADMP Cc1ccc([C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C2CCC2)o1 ZINC000349453544 456971584 /nfs/dbraw/zinc/97/15/84/456971584.db2.gz OVSIKMWJARNFGD-HXUWFJFHSA-N 2 1 333.520 3.292 20 0 EGADMP Cc1c2cccc(Cl)c2sc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000339198372 456987315 /nfs/dbraw/zinc/98/73/15/456987315.db2.gz IOHXSXVFNXCOMG-CYBMUJFWSA-N 2 1 338.904 3.409 20 0 EGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CC3CCCCC3)CC2)C[C@H](C)O1 ZINC000358852791 457005751 /nfs/dbraw/zinc/00/57/51/457005751.db2.gz FTLMWDRQZNAQSF-HDICACEKSA-N 2 1 338.536 3.157 20 0 EGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CC3CCCCC3)CC2)C[C@H](C)O1 ZINC000358852791 457005761 /nfs/dbraw/zinc/00/57/61/457005761.db2.gz FTLMWDRQZNAQSF-HDICACEKSA-N 2 1 338.536 3.157 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000339231866 457006187 /nfs/dbraw/zinc/00/61/87/457006187.db2.gz BMQRYJZMBSWCCQ-UHFFFAOYSA-N 2 1 329.532 3.317 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2nc(C)cs2)[C@H](C)C1 ZINC000349661144 457009550 /nfs/dbraw/zinc/00/95/50/457009550.db2.gz FDCGELSQGJIZPD-UXLLHSPISA-N 2 1 339.549 3.282 20 0 EGADMP C[C@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000354016730 457010474 /nfs/dbraw/zinc/01/04/74/457010474.db2.gz CCLRZCWAWPTIRP-HNAYVOBHSA-N 2 1 345.462 3.030 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000354016730 457010480 /nfs/dbraw/zinc/01/04/80/457010480.db2.gz CCLRZCWAWPTIRP-HNAYVOBHSA-N 2 1 345.462 3.030 20 0 EGADMP CCC(C)(C)CC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358875445 457018481 /nfs/dbraw/zinc/01/84/81/457018481.db2.gz SVWBVFUTURWVLW-HDICACEKSA-N 2 1 340.552 3.403 20 0 EGADMP CCC(C)(C)CC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358875445 457018488 /nfs/dbraw/zinc/01/84/88/457018488.db2.gz SVWBVFUTURWVLW-HDICACEKSA-N 2 1 340.552 3.403 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000354078126 457046822 /nfs/dbraw/zinc/04/68/22/457046822.db2.gz NNUATVXNDYLZAL-KRWDZBQOSA-N 2 1 345.462 3.307 20 0 EGADMP CN(Cc1ccc(F)cc1Cl)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000362720184 457060258 /nfs/dbraw/zinc/06/02/58/457060258.db2.gz SVGIRFYISPBCIE-KRWDZBQOSA-N 2 1 339.886 3.079 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C[C@H]21 ZINC000342088850 457102043 /nfs/dbraw/zinc/10/20/43/457102043.db2.gz ASPAACHHPZOBOR-HMXCVIKNSA-N 2 1 349.478 3.498 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C[C@@H]21 ZINC000342088848 457102329 /nfs/dbraw/zinc/10/23/29/457102329.db2.gz ASPAACHHPZOBOR-HLAWJBBLSA-N 2 1 349.478 3.498 20 0 EGADMP Cc1ccccc1-n1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)nn1 ZINC000342092425 457104540 /nfs/dbraw/zinc/10/45/40/457104540.db2.gz XGJUAQXHWVFBOH-QGZVFWFLSA-N 2 1 341.503 3.177 20 0 EGADMP [NH3+]CCCOC1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000346688292 457111797 /nfs/dbraw/zinc/11/17/97/457111797.db2.gz XQPKAEPDPHCDFJ-UHFFFAOYSA-N 2 1 331.485 3.140 20 0 EGADMP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000354182523 457116322 /nfs/dbraw/zinc/11/63/22/457116322.db2.gz QSWSDBVPAOGILR-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000354182523 457116329 /nfs/dbraw/zinc/11/63/29/457116329.db2.gz QSWSDBVPAOGILR-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000354182523 457116334 /nfs/dbraw/zinc/11/63/34/457116334.db2.gz QSWSDBVPAOGILR-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000354182523 457116342 /nfs/dbraw/zinc/11/63/42/457116342.db2.gz QSWSDBVPAOGILR-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000339440933 457120958 /nfs/dbraw/zinc/12/09/58/457120958.db2.gz KGJMRTMTOMXVAJ-KRWDZBQOSA-N 2 1 326.843 3.276 20 0 EGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000339440933 457120963 /nfs/dbraw/zinc/12/09/63/457120963.db2.gz KGJMRTMTOMXVAJ-KRWDZBQOSA-N 2 1 326.843 3.276 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000339440933 457120970 /nfs/dbraw/zinc/12/09/70/457120970.db2.gz KGJMRTMTOMXVAJ-KRWDZBQOSA-N 2 1 326.843 3.276 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000339440933 457120972 /nfs/dbraw/zinc/12/09/72/457120972.db2.gz KGJMRTMTOMXVAJ-KRWDZBQOSA-N 2 1 326.843 3.276 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342124025 457121458 /nfs/dbraw/zinc/12/14/58/457121458.db2.gz CYKDECPMCDQMMU-TTZDDIAXSA-N 2 1 335.879 3.035 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342124025 457121462 /nfs/dbraw/zinc/12/14/62/457121462.db2.gz CYKDECPMCDQMMU-TTZDDIAXSA-N 2 1 335.879 3.035 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2Cl)C[C@H]1C ZINC000354209668 457133940 /nfs/dbraw/zinc/13/39/40/457133940.db2.gz RENSFQVQNWGUJD-HUUCEWRRSA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2Cl)C[C@H]1C ZINC000354209668 457133944 /nfs/dbraw/zinc/13/39/44/457133944.db2.gz RENSFQVQNWGUJD-HUUCEWRRSA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2Cl)C[C@H]1C ZINC000354209668 457133949 /nfs/dbraw/zinc/13/39/49/457133949.db2.gz RENSFQVQNWGUJD-HUUCEWRRSA-N 2 1 337.895 3.473 20 0 EGADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)n1 ZINC000359928254 457152825 /nfs/dbraw/zinc/15/28/25/457152825.db2.gz ZZVQGVMNWAOCBT-LPHOPBHVSA-N 2 1 326.488 3.104 20 0 EGADMP C[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000359941600 457159762 /nfs/dbraw/zinc/15/97/62/457159762.db2.gz LCOIVUDDTWAIOK-DOPJRALCSA-N 2 1 327.472 3.194 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000359941600 457159769 /nfs/dbraw/zinc/15/97/69/457159769.db2.gz LCOIVUDDTWAIOK-DOPJRALCSA-N 2 1 327.472 3.194 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000359941600 457159773 /nfs/dbraw/zinc/15/97/73/457159773.db2.gz LCOIVUDDTWAIOK-DOPJRALCSA-N 2 1 327.472 3.194 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000359941600 457159782 /nfs/dbraw/zinc/15/97/82/457159782.db2.gz LCOIVUDDTWAIOK-DOPJRALCSA-N 2 1 327.472 3.194 20 0 EGADMP CCN(C)c1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000359956233 457171280 /nfs/dbraw/zinc/17/12/80/457171280.db2.gz CGQWUMJCNIGKLH-HDICACEKSA-N 2 1 332.536 3.385 20 0 EGADMP Fc1ccc(C[N@@H+](CCc2ccccn2)C[C@H]2CCC[NH2+]C2)cc1 ZINC000346841429 457181474 /nfs/dbraw/zinc/18/14/74/457181474.db2.gz VYLYRZQBJGGHDX-SFHVURJKSA-N 2 1 327.447 3.265 20 0 EGADMP CCSc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000339680077 457209489 /nfs/dbraw/zinc/20/94/89/457209489.db2.gz FWRPBFKXQFZOQE-QGZVFWFLSA-N 2 1 335.561 3.477 20 0 EGADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000356906515 457211132 /nfs/dbraw/zinc/21/11/32/457211132.db2.gz VZRGXIFKDKKBEO-BQJUDKOJSA-N 2 1 342.527 3.284 20 0 EGADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000356906516 457211246 /nfs/dbraw/zinc/21/12/46/457211246.db2.gz VZRGXIFKDKKBEO-BURNTYAHSA-N 2 1 342.527 3.284 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000347124115 457241388 /nfs/dbraw/zinc/24/13/88/457241388.db2.gz IWRQHYKXQOTDIY-SFHVURJKSA-N 2 1 349.906 3.415 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000347124115 457241390 /nfs/dbraw/zinc/24/13/90/457241390.db2.gz IWRQHYKXQOTDIY-SFHVURJKSA-N 2 1 349.906 3.415 20 0 EGADMP CC(C)CNC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000357021207 457281058 /nfs/dbraw/zinc/28/10/58/457281058.db2.gz YRYLRBUUZPXAIK-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+](C)C1(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CCCC1 ZINC000342421251 457294812 /nfs/dbraw/zinc/29/48/12/457294812.db2.gz DQDGZHOZYWUVBU-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(OC)n2)CC1)CC1CC1 ZINC000357081949 457312797 /nfs/dbraw/zinc/31/27/97/457312797.db2.gz IWHMACZXQGROEB-UHFFFAOYSA-N 2 1 331.504 3.424 20 0 EGADMP C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)c2ccccc2C1 ZINC000363476590 457343428 /nfs/dbraw/zinc/34/34/28/457343428.db2.gz KIVOGPIMYJEZGG-UHFFFAOYSA-N 2 1 349.478 3.375 20 0 EGADMP C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)c2ccccc2C1 ZINC000363476590 457343433 /nfs/dbraw/zinc/34/34/33/457343433.db2.gz KIVOGPIMYJEZGG-UHFFFAOYSA-N 2 1 349.478 3.375 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(F)c2cccnc12 ZINC000355218654 457348421 /nfs/dbraw/zinc/34/84/21/457348421.db2.gz XZXYYFQEFKVYNV-AYOQOUSVSA-N 2 1 343.446 3.057 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(F)c2cccnc12 ZINC000355218654 457348425 /nfs/dbraw/zinc/34/84/25/457348425.db2.gz XZXYYFQEFKVYNV-AYOQOUSVSA-N 2 1 343.446 3.057 20 0 EGADMP C[C@H]1CCc2nc(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)sc2C1 ZINC000357211193 457375585 /nfs/dbraw/zinc/37/55/85/457375585.db2.gz GBUAPSHYOYBJEW-GJZGRUSLSA-N 2 1 344.528 3.456 20 0 EGADMP C[C@H]1CCc2nc(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)sc2C1 ZINC000357211193 457375591 /nfs/dbraw/zinc/37/55/91/457375591.db2.gz GBUAPSHYOYBJEW-GJZGRUSLSA-N 2 1 344.528 3.456 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)C(C)C ZINC000347383305 457392657 /nfs/dbraw/zinc/39/26/57/457392657.db2.gz VTRDNHXKTMWLMS-HXUWFJFHSA-N 2 1 345.531 3.276 20 0 EGADMP Fc1ccccc1-c1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)s1 ZINC000352527044 457440161 /nfs/dbraw/zinc/44/01/61/457440161.db2.gz VPWNVJVMYBMASZ-HNNXBMFYSA-N 2 1 345.487 3.034 20 0 EGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000352541044 457451095 /nfs/dbraw/zinc/45/10/95/457451095.db2.gz SVNJLPHJUJGMIG-LJQANCHMSA-N 2 1 325.456 3.364 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CC(OC(C)(C)C)C3)c2)CCO1 ZINC000352567741 457472261 /nfs/dbraw/zinc/47/22/61/457472261.db2.gz OPALAJHPTCQWDJ-DZIBYMRMSA-N 2 1 346.515 3.343 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CC(OC(C)(C)C)C3)c2)CCO1 ZINC000352567741 457472271 /nfs/dbraw/zinc/47/22/71/457472271.db2.gz OPALAJHPTCQWDJ-DZIBYMRMSA-N 2 1 346.515 3.343 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2CC[NH3+])cc1)C1CC1 ZINC000357363084 457473803 /nfs/dbraw/zinc/47/38/03/457473803.db2.gz NOOWYPLTWUKMIE-LJQANCHMSA-N 2 1 329.488 3.014 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400975791 457520170 /nfs/dbraw/zinc/52/01/70/457520170.db2.gz RPXWUJNGMXSXOY-BQJUDKOJSA-N 3 1 341.543 3.265 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400975791 457520181 /nfs/dbraw/zinc/52/01/81/457520181.db2.gz RPXWUJNGMXSXOY-BQJUDKOJSA-N 3 1 341.543 3.265 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCN1Cc1ccccc1 ZINC000357434647 457523433 /nfs/dbraw/zinc/52/34/33/457523433.db2.gz CDUNECJHFBXSLS-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000357434647 457523442 /nfs/dbraw/zinc/52/34/42/457523442.db2.gz CDUNECJHFBXSLS-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000357434647 457523449 /nfs/dbraw/zinc/52/34/49/457523449.db2.gz CDUNECJHFBXSLS-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000357434647 457523456 /nfs/dbraw/zinc/52/34/56/457523456.db2.gz CDUNECJHFBXSLS-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000357434647 457523464 /nfs/dbraw/zinc/52/34/64/457523464.db2.gz CDUNECJHFBXSLS-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]1C[C@H](CC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC(C)(C)C1 ZINC000364210321 457527790 /nfs/dbraw/zinc/52/77/90/457527790.db2.gz ZGQSIPDOITWVFZ-KZNAEPCWSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[C@H](CC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC(C)(C)C1 ZINC000364210321 457527798 /nfs/dbraw/zinc/52/77/98/457527798.db2.gz ZGQSIPDOITWVFZ-KZNAEPCWSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1ccc([C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C2CCCC2)o1 ZINC000342803459 457535479 /nfs/dbraw/zinc/53/54/79/457535479.db2.gz YXKOGKYFXAGBTE-HXUWFJFHSA-N 2 1 333.520 3.437 20 0 EGADMP CC[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000347598011 457537694 /nfs/dbraw/zinc/53/76/94/457537694.db2.gz XFZASMBYMDGFDW-PKOBYXMFSA-N 2 1 345.531 3.054 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1)CC1CC1 ZINC000425465683 457564589 /nfs/dbraw/zinc/56/45/89/457564589.db2.gz ZVWFIAUXZZKRDL-QFIPXVFZSA-N 2 1 344.543 3.424 20 0 EGADMP Cn1cc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)c2ccc(F)cc21 ZINC000352736738 457569212 /nfs/dbraw/zinc/56/92/12/457569212.db2.gz MNKNJRFEEPZKBM-UHFFFAOYSA-N 2 1 346.475 3.168 20 0 EGADMP Cc1ccccc1[C@H]([C@H](C)NCc1ncc(C[NH+](C)C)s1)[NH+](C)C ZINC000352737637 457571211 /nfs/dbraw/zinc/57/12/11/457571211.db2.gz KTKXVJJCXOUZNY-KXBFYZLASA-N 2 1 346.544 3.294 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C)ccc3F)CC2)CC1 ZINC000408517190 457575292 /nfs/dbraw/zinc/57/52/92/457575292.db2.gz BYLHYTYPAZABRH-UHFFFAOYSA-N 2 1 347.478 3.269 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CC(OC(C)(C)C)C3)CC2)oc1C ZINC000352753133 457583203 /nfs/dbraw/zinc/58/32/03/457583203.db2.gz LYHKCZVKYUVUKC-UHFFFAOYSA-N 2 1 349.519 3.439 20 0 EGADMP Cc1ccc(CC[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000425928605 457653591 /nfs/dbraw/zinc/65/35/91/457653591.db2.gz SMLQRNMLYMODAU-QFIPXVFZSA-N 2 1 338.495 3.106 20 0 EGADMP Cc1ccc(CC[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000425928605 457653597 /nfs/dbraw/zinc/65/35/97/457653597.db2.gz SMLQRNMLYMODAU-QFIPXVFZSA-N 2 1 338.495 3.106 20 0 EGADMP Cc1ccc(CC[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000425928605 457653603 /nfs/dbraw/zinc/65/36/03/457653603.db2.gz SMLQRNMLYMODAU-QFIPXVFZSA-N 2 1 338.495 3.106 20 0 EGADMP Cc1ccc(CC[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000425928605 457653605 /nfs/dbraw/zinc/65/36/05/457653605.db2.gz SMLQRNMLYMODAU-QFIPXVFZSA-N 2 1 338.495 3.106 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)CC[N@@H+]1C ZINC000370654879 457691944 /nfs/dbraw/zinc/69/19/44/457691944.db2.gz YIOWAFUDZUUBST-ZBFHGGJFSA-N 2 1 344.528 3.337 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)CC[N@H+]1C ZINC000370654879 457691947 /nfs/dbraw/zinc/69/19/47/457691947.db2.gz YIOWAFUDZUUBST-ZBFHGGJFSA-N 2 1 344.528 3.337 20 0 EGADMP CCOc1cc2[nH+]ccc(N3CC[N@@H+](C)C[C@H]3C)c2cc1OCC ZINC000443441161 457765943 /nfs/dbraw/zinc/76/59/43/457765943.db2.gz WIYCMFBKJVWWPU-CQSZACIVSA-N 2 1 329.444 3.173 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)Cn1ccnc1 ZINC000358079985 457772293 /nfs/dbraw/zinc/77/22/93/457772293.db2.gz FDDJVDROZKPTNW-GGPKGHCWSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)Cn1ccnc1 ZINC000358079985 457772298 /nfs/dbraw/zinc/77/22/98/457772298.db2.gz FDDJVDROZKPTNW-GGPKGHCWSA-N 2 1 326.488 3.162 20 0 EGADMP CC(CC[NH+](C)C[C@@H]1CCCOC1)CC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000411268445 457846722 /nfs/dbraw/zinc/84/67/22/457846722.db2.gz DELSBNIGDDLDBM-PMACEKPBSA-N 2 1 340.552 3.120 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(F)cc2cccnc21 ZINC000371296369 457853370 /nfs/dbraw/zinc/85/33/70/457853370.db2.gz YWZFBXQXMBLHPL-QRVBRYPASA-N 2 1 343.446 3.057 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(F)cc2cccnc21 ZINC000371296369 457853374 /nfs/dbraw/zinc/85/33/74/457853374.db2.gz YWZFBXQXMBLHPL-QRVBRYPASA-N 2 1 343.446 3.057 20 0 EGADMP OC1(CC[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CCC1 ZINC000411311834 457856611 /nfs/dbraw/zinc/85/66/11/457856611.db2.gz YAYILIFSOVBQJN-FQEVSTJZSA-N 2 1 328.500 3.280 20 0 EGADMP OC1(CC[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCC1 ZINC000411311834 457856619 /nfs/dbraw/zinc/85/66/19/457856619.db2.gz YAYILIFSOVBQJN-FQEVSTJZSA-N 2 1 328.500 3.280 20 0 EGADMP OC1(CC[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000411311834 457856623 /nfs/dbraw/zinc/85/66/23/457856623.db2.gz YAYILIFSOVBQJN-FQEVSTJZSA-N 2 1 328.500 3.280 20 0 EGADMP CC(C)[NH+](CCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)C(C)C ZINC000358235175 457876892 /nfs/dbraw/zinc/87/68/92/457876892.db2.gz YEQVMCWRKQUGHU-QGZVFWFLSA-N 2 1 339.911 3.178 20 0 EGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358254713 457890947 /nfs/dbraw/zinc/89/09/47/457890947.db2.gz PNHHKYBFZSMQBZ-LIRRHRJNSA-N 2 1 345.512 3.144 20 0 EGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358254713 457890952 /nfs/dbraw/zinc/89/09/52/457890952.db2.gz PNHHKYBFZSMQBZ-LIRRHRJNSA-N 2 1 345.512 3.144 20 0 EGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358254713 457890954 /nfs/dbraw/zinc/89/09/54/457890954.db2.gz PNHHKYBFZSMQBZ-LIRRHRJNSA-N 2 1 345.512 3.144 20 0 EGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358254713 457890959 /nfs/dbraw/zinc/89/09/59/457890959.db2.gz PNHHKYBFZSMQBZ-LIRRHRJNSA-N 2 1 345.512 3.144 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1OC ZINC000358290985 457913826 /nfs/dbraw/zinc/91/38/26/457913826.db2.gz FLQRBQIQFBNELP-IPMKNSEASA-N 2 1 332.488 3.114 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000371437358 457930329 /nfs/dbraw/zinc/93/03/29/457930329.db2.gz DGRRRAPBPAFTHG-RCCFBDPRSA-N 2 1 329.488 3.237 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](CCOCC(F)(F)C(F)(F)F)C2)CC1 ZINC000367201818 457934406 /nfs/dbraw/zinc/93/44/06/457934406.db2.gz VXRARUNDNWAXSM-UHFFFAOYSA-N 2 1 344.368 3.008 20 0 EGADMP COCC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCO[C@@H]1C ZINC000411651990 457939725 /nfs/dbraw/zinc/93/97/25/457939725.db2.gz DBIIYKAXHQGKCE-NQIIRXRSSA-N 2 1 346.515 3.298 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000411661082 457942615 /nfs/dbraw/zinc/94/26/15/457942615.db2.gz LMOQSYXXVPBYRT-WIYYLYMNSA-N 2 1 344.499 3.052 20 0 EGADMP COc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc(Cl)c1OC ZINC000375504012 457953539 /nfs/dbraw/zinc/95/35/39/457953539.db2.gz AOWZKQOSCTZLCK-UHFFFAOYSA-N 2 1 338.879 3.417 20 0 EGADMP COc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc(Cl)c1OC ZINC000375504012 457953542 /nfs/dbraw/zinc/95/35/42/457953542.db2.gz AOWZKQOSCTZLCK-UHFFFAOYSA-N 2 1 338.879 3.417 20 0 EGADMP CC(C)[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1nncn1C ZINC000411721035 457963029 /nfs/dbraw/zinc/96/30/29/457963029.db2.gz NXYWBIGUJRDROM-IBGZPJMESA-N 2 1 341.503 3.288 20 0 EGADMP OC[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCC1(F)F ZINC000411739765 457967074 /nfs/dbraw/zinc/96/70/74/457967074.db2.gz AWGOXTKNKAITBQ-GOSISDBHSA-N 2 1 338.442 3.122 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000362025923 458011111 /nfs/dbraw/zinc/01/11/11/458011111.db2.gz LNSDLAACHJCLPD-MAUKXSAKSA-N 2 1 332.492 3.085 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)c(C)c1 ZINC000358504410 458044870 /nfs/dbraw/zinc/04/48/70/458044870.db2.gz GLOHXCADIOQZNR-QGZVFWFLSA-N 2 1 329.488 3.014 20 0 EGADMP C[C@@H]([NH2+]CCN1CCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000428325734 458121217 /nfs/dbraw/zinc/12/12/17/458121217.db2.gz NTMJXVMSSQLVKP-IEBWSBKVSA-N 2 1 327.516 3.292 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435370680 458122649 /nfs/dbraw/zinc/12/26/49/458122649.db2.gz QBWZECDJNADUPI-SFHVURJKSA-N 2 1 339.483 3.448 20 0 EGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000435373055 458123906 /nfs/dbraw/zinc/12/39/06/458123906.db2.gz LQIMJMPIDUSTSG-FUHWJXTLSA-N 2 1 340.515 3.398 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435376966 458125784 /nfs/dbraw/zinc/12/57/84/458125784.db2.gz WUKJXEIHWJNLOQ-HKUYNNGSSA-N 2 1 339.483 3.447 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000435380501 458128944 /nfs/dbraw/zinc/12/89/44/458128944.db2.gz OGYNUIAHNXVVJL-DOMZBBRYSA-N 2 1 332.879 3.312 20 0 EGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000435396213 458137426 /nfs/dbraw/zinc/13/74/26/458137426.db2.gz VCYBCVDGIDSNQA-SFHVURJKSA-N 2 1 340.515 3.400 20 0 EGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000435396213 458137430 /nfs/dbraw/zinc/13/74/30/458137430.db2.gz VCYBCVDGIDSNQA-SFHVURJKSA-N 2 1 340.515 3.400 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000358668903 458139179 /nfs/dbraw/zinc/13/91/79/458139179.db2.gz UBGMLTCHCFQMTK-MAUKXSAKSA-N 2 1 335.923 3.377 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC000358668903 458139188 /nfs/dbraw/zinc/13/91/88/458139188.db2.gz UBGMLTCHCFQMTK-MAUKXSAKSA-N 2 1 335.923 3.377 20 0 EGADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000375988950 458152339 /nfs/dbraw/zinc/15/23/39/458152339.db2.gz OXKJJQJYWFUZEW-FPOVZHCZSA-N 2 1 338.499 3.299 20 0 EGADMP Cn1ccnc1C[N@@H+](CCCC1CCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435692613 458185364 /nfs/dbraw/zinc/18/53/64/458185364.db2.gz HJBXSKMDMHHSMG-SFHVURJKSA-N 2 1 330.520 3.335 20 0 EGADMP CCCc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000376326485 458267732 /nfs/dbraw/zinc/26/77/32/458267732.db2.gz ZLWIQVQETKWNOJ-WIYYLYMNSA-N 2 1 329.532 3.097 20 0 EGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000447531487 458306723 /nfs/dbraw/zinc/30/67/23/458306723.db2.gz RQXRLNFKXCUPGH-MUGJNUQGSA-N 2 1 346.515 3.099 20 0 EGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000447531487 458306727 /nfs/dbraw/zinc/30/67/27/458306727.db2.gz RQXRLNFKXCUPGH-MUGJNUQGSA-N 2 1 346.515 3.099 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000429534410 458341064 /nfs/dbraw/zinc/34/10/64/458341064.db2.gz ZURZBWBMEHCCPP-AWEZNQCLSA-N 2 1 346.393 3.380 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000429534410 458341068 /nfs/dbraw/zinc/34/10/68/458341068.db2.gz ZURZBWBMEHCCPP-AWEZNQCLSA-N 2 1 346.393 3.380 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1)C1CC1 ZINC000429611129 458353031 /nfs/dbraw/zinc/35/30/31/458353031.db2.gz NIQKGIAKUCCTTH-IBGZPJMESA-N 2 1 331.504 3.116 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1)C1CC1 ZINC000429611132 458353063 /nfs/dbraw/zinc/35/30/63/458353063.db2.gz NIQKGIAKUCCTTH-LJQANCHMSA-N 2 1 331.504 3.116 20 0 EGADMP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459462322 458378111 /nfs/dbraw/zinc/37/81/11/458378111.db2.gz KVMQKWDDHXEEDI-ZWKOTPCHSA-N 3 1 342.531 3.293 20 0 EGADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC1CCC(F)(F)CC1 ZINC000459537016 458403645 /nfs/dbraw/zinc/40/36/45/458403645.db2.gz RCORIKRLJAJTMD-UHFFFAOYSA-N 2 1 331.495 3.161 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCC3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000430229738 458425436 /nfs/dbraw/zinc/42/54/36/458425436.db2.gz YPMZLHAIZHPCEV-PGRDOPGGSA-N 2 1 341.543 3.023 20 0 EGADMP C[C@H](NC[C@H]1[NH2+]CCc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423427310 458431463 /nfs/dbraw/zinc/43/14/63/458431463.db2.gz NTCCBHFXIHWZLD-AVCGJXAMSA-N 2 1 349.522 3.374 20 0 EGADMP C[C@H]([NH2+]C[C@H]1NCCc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423427310 458431467 /nfs/dbraw/zinc/43/14/67/458431467.db2.gz NTCCBHFXIHWZLD-AVCGJXAMSA-N 2 1 349.522 3.374 20 0 EGADMP C[C@H]([NH2+]C[C@H]1NCCc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423427310 458431473 /nfs/dbraw/zinc/43/14/73/458431473.db2.gz NTCCBHFXIHWZLD-AVCGJXAMSA-N 2 1 349.522 3.374 20 0 EGADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423443184 458433350 /nfs/dbraw/zinc/43/33/50/458433350.db2.gz VMVULGUTEBPEGL-YFMMTPMMSA-N 2 1 326.415 3.273 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000373227939 458436430 /nfs/dbraw/zinc/43/64/30/458436430.db2.gz LAKWJEOJWZBZLN-INIZCTEOSA-N 2 1 332.423 3.049 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000373227939 458436435 /nfs/dbraw/zinc/43/64/35/458436435.db2.gz LAKWJEOJWZBZLN-INIZCTEOSA-N 2 1 332.423 3.049 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cncc(F)c1 ZINC000423478128 458440209 /nfs/dbraw/zinc/44/02/09/458440209.db2.gz TVJGJEFWRAOBJO-ACWOFJMJSA-N 2 1 331.410 3.404 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423491405 458442080 /nfs/dbraw/zinc/44/20/80/458442080.db2.gz JOCMRSVFKMGGSH-OBJOEFQTSA-N 2 1 347.286 3.117 20 0 EGADMP [NH3+]C1(CN[C@H]2CCCc3occc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423550260 458456290 /nfs/dbraw/zinc/45/62/90/458456290.db2.gz FOJMVZJUTPHMIG-IBGZPJMESA-N 2 1 339.483 3.240 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000430548264 458460012 /nfs/dbraw/zinc/46/00/12/458460012.db2.gz BUBBVKQACYNLPY-FUHWJXTLSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000430557775 458460903 /nfs/dbraw/zinc/46/09/03/458460903.db2.gz XBQKGFLVZZEGKO-STQMWFEESA-N 2 1 332.366 3.023 20 0 EGADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000430575705 458465156 /nfs/dbraw/zinc/46/51/56/458465156.db2.gz RCPYZECVOYVVCE-HNNXBMFYSA-N 2 1 332.275 3.285 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000430597633 458469154 /nfs/dbraw/zinc/46/91/54/458469154.db2.gz MCWNZCLXUMIZSY-GOSISDBHSA-N 2 1 327.472 3.474 20 0 EGADMP CCC(CC)n1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000437584616 458469514 /nfs/dbraw/zinc/46/95/14/458469514.db2.gz XNMLMQFOBDCEAU-UHFFFAOYSA-N 2 1 348.535 3.321 20 0 EGADMP O=C(CC[N@@H+]1CCC[NH2+]CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000430608007 458470877 /nfs/dbraw/zinc/47/08/77/458470877.db2.gz DAEAWBOSYFMNSF-UHFFFAOYSA-N 2 1 339.439 3.103 20 0 EGADMP O=C(CC[N@H+]1CCC[NH2+]CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000430608007 458470879 /nfs/dbraw/zinc/47/08/79/458470879.db2.gz DAEAWBOSYFMNSF-UHFFFAOYSA-N 2 1 339.439 3.103 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1)c1cccc2ccccc21 ZINC000430617773 458471314 /nfs/dbraw/zinc/47/13/14/458471314.db2.gz OWAOEYXPPPBFNY-YESZJQIVSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1)c1cccc2ccccc21 ZINC000430617773 458471316 /nfs/dbraw/zinc/47/13/16/458471316.db2.gz OWAOEYXPPPBFNY-YESZJQIVSA-N 2 1 339.483 3.076 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000430625557 458472697 /nfs/dbraw/zinc/47/26/97/458472697.db2.gz QHPNPLQPFXFUST-GOSISDBHSA-N 2 1 325.456 3.092 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000430625557 458472700 /nfs/dbraw/zinc/47/27/00/458472700.db2.gz QHPNPLQPFXFUST-GOSISDBHSA-N 2 1 325.456 3.092 20 0 EGADMP CC[C@H]1CN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000423829847 458493290 /nfs/dbraw/zinc/49/32/90/458493290.db2.gz UHMMZWRPGPTMSW-NRFANRHFSA-N 2 1 349.478 3.026 20 0 EGADMP CC[C@H]1CN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000423829847 458493294 /nfs/dbraw/zinc/49/32/94/458493294.db2.gz UHMMZWRPGPTMSW-NRFANRHFSA-N 2 1 349.478 3.026 20 0 EGADMP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430940964 458508587 /nfs/dbraw/zinc/50/85/87/458508587.db2.gz SMVOPFMTIHPANF-WDEREUQCSA-N 2 1 344.286 3.380 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430949937 458509786 /nfs/dbraw/zinc/50/97/86/458509786.db2.gz FMOIFDYKPKUYAF-AWEZNQCLSA-N 2 1 330.394 3.406 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1C1CCCC1)c1ccccc1 ZINC000460383848 458514755 /nfs/dbraw/zinc/51/47/55/458514755.db2.gz IGTFOOUVDMSWCZ-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@H+](CC(=O)N[C@H](CC(C)C)c1ccccc1)C1CC[NH2+]CC1 ZINC000431100903 458529771 /nfs/dbraw/zinc/52/97/71/458529771.db2.gz WPOSZEQYJNXQJY-HXUWFJFHSA-N 2 1 345.531 3.354 20 0 EGADMP CCC[N@@H+](CC(=O)N[C@H](CC(C)C)c1ccccc1)C1CC[NH2+]CC1 ZINC000431100903 458529777 /nfs/dbraw/zinc/52/97/77/458529777.db2.gz WPOSZEQYJNXQJY-HXUWFJFHSA-N 2 1 345.531 3.354 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CC[C@@H]4CCOC4)CC[C@H]32)cc1 ZINC000438120844 458537250 /nfs/dbraw/zinc/53/72/50/458537250.db2.gz XJMDLCRETNZEFD-NJDAHSKKSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CC[C@@H]4CCOC4)CC[C@H]32)cc1 ZINC000438120844 458537255 /nfs/dbraw/zinc/53/72/55/458537255.db2.gz XJMDLCRETNZEFD-NJDAHSKKSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CC[C@@H]4CCOC4)CC[C@H]32)cc1 ZINC000438120844 458537261 /nfs/dbraw/zinc/53/72/61/458537261.db2.gz XJMDLCRETNZEFD-NJDAHSKKSA-N 2 1 328.500 3.400 20 0 EGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)N1CCc2ccccc2C1 ZINC000468848411 458539242 /nfs/dbraw/zinc/53/92/42/458539242.db2.gz FJDYRWMWCRPBGM-UIFIKXQLSA-N 2 1 329.532 3.143 20 0 EGADMP CC[C@H](CN[C@H]1CC[N@H+](CC)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000468848411 458539246 /nfs/dbraw/zinc/53/92/46/458539246.db2.gz FJDYRWMWCRPBGM-UIFIKXQLSA-N 2 1 329.532 3.143 20 0 EGADMP CC[C@H](CN[C@H]1CC[N@@H+](CC)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000468848411 458539250 /nfs/dbraw/zinc/53/92/50/458539250.db2.gz FJDYRWMWCRPBGM-UIFIKXQLSA-N 2 1 329.532 3.143 20 0 EGADMP CC[C@H](CN[C@H]1CC[NH+](CC)C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000468848411 458539255 /nfs/dbraw/zinc/53/92/55/458539255.db2.gz FJDYRWMWCRPBGM-UIFIKXQLSA-N 2 1 329.532 3.143 20 0 EGADMP CC[C@H](CN[C@H]1CC[NH+](CC)C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000468848411 458539260 /nfs/dbraw/zinc/53/92/60/458539260.db2.gz FJDYRWMWCRPBGM-UIFIKXQLSA-N 2 1 329.532 3.143 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CC[C@@H]([NH3+])CC3CCCCC3)CC[C@H]21 ZINC000424171849 458576053 /nfs/dbraw/zinc/57/60/53/458576053.db2.gz LKLIKJSRMOUCGH-GUDVDZBRSA-N 2 1 335.536 3.007 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccco1 ZINC000438551734 458596418 /nfs/dbraw/zinc/59/64/18/458596418.db2.gz GEEVKOVECOIZTB-ROUUACIJSA-N 2 1 347.503 3.186 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438552979 458597285 /nfs/dbraw/zinc/59/72/85/458597285.db2.gz PSXWSFZJSHJDMC-WSTZPKSXSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000438552979 458597291 /nfs/dbraw/zinc/59/72/91/458597291.db2.gz PSXWSFZJSHJDMC-WSTZPKSXSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000438552979 458597297 /nfs/dbraw/zinc/59/72/97/458597297.db2.gz PSXWSFZJSHJDMC-WSTZPKSXSA-N 2 1 349.563 3.268 20 0 EGADMP Fc1ccc(Cl)c(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c1 ZINC000424285945 458604583 /nfs/dbraw/zinc/60/45/83/458604583.db2.gz GLISBOKMDLULBL-UHFFFAOYSA-N 2 1 334.826 3.116 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1ccn(-c3ccc(Cl)cc3)n1)CC[NH2+]CC2 ZINC000424288120 458605065 /nfs/dbraw/zinc/60/50/65/458605065.db2.gz KHHIANXBHKXMFK-HNNXBMFYSA-N 2 1 344.890 3.490 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000438609421 458606120 /nfs/dbraw/zinc/60/61/20/458606120.db2.gz YUAXXFSCORTBDB-UHFFFAOYSA-N 2 1 345.531 3.475 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1ncc(-c3cccc(F)c3)o1)CC[NH2+]CC2 ZINC000424294414 458606285 /nfs/dbraw/zinc/60/62/85/458606285.db2.gz QFGDPTVQCCJXNA-AWEZNQCLSA-N 2 1 329.419 3.445 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1CCC(=O)Nc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000424295899 458607727 /nfs/dbraw/zinc/60/77/27/458607727.db2.gz ROLYEFNDULIMQO-CQSZACIVSA-N 2 1 335.879 3.133 20 0 EGADMP Cc1nccn1CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000494044349 458619865 /nfs/dbraw/zinc/61/98/65/458619865.db2.gz OVXBCBBZZWGYRS-SJPCQFCGSA-N 2 1 348.491 3.054 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000494044349 458619870 /nfs/dbraw/zinc/61/98/70/458619870.db2.gz OVXBCBBZZWGYRS-SJPCQFCGSA-N 2 1 348.491 3.054 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000494044349 458619873 /nfs/dbraw/zinc/61/98/73/458619873.db2.gz OVXBCBBZZWGYRS-SJPCQFCGSA-N 2 1 348.491 3.054 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000431773143 458620946 /nfs/dbraw/zinc/62/09/46/458620946.db2.gz AHFDVSYRUYRBDJ-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1cn(C)nc1-c1cccs1)CC[NH2+]CC2 ZINC000424368961 458626798 /nfs/dbraw/zinc/62/67/98/458626798.db2.gz AXXAWCXAXKENFM-AWEZNQCLSA-N 2 1 330.501 3.113 20 0 EGADMP CSc1cc2c(cc1C[N@H+]1CC3(C[C@@H]1C)CC[NH2+]CC3)OCCO2 ZINC000424370475 458628301 /nfs/dbraw/zinc/62/83/01/458628301.db2.gz COELAIGEQBQEIW-AWEZNQCLSA-N 2 1 348.512 3.144 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456309063 458636761 /nfs/dbraw/zinc/63/67/61/458636761.db2.gz JIAKRQWJIFPYLP-BEFAXECRSA-N 2 1 329.488 3.439 20 0 EGADMP CCCN(CC[C@H]1CCC[N@H+]1C)CC(=O)Nc1ccc(Cl)cc1 ZINC000503066007 458690448 /nfs/dbraw/zinc/69/04/48/458690448.db2.gz XIEOLXAZGZFFGB-QGZVFWFLSA-N 2 1 337.895 3.475 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432252527 458705467 /nfs/dbraw/zinc/70/54/67/458705467.db2.gz ZAOPABWYNSFSLU-CYBMUJFWSA-N 2 1 349.277 3.459 20 0 EGADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000471780047 458729237 /nfs/dbraw/zinc/72/92/37/458729237.db2.gz KJOQINBWKUOMFA-HSALFYBXSA-N 2 1 330.516 3.428 20 0 EGADMP Cc1ccc(C(=O)NCCN2CC=CCC2)cc1Oc1ccncc1 ZINC000530307273 458744847 /nfs/dbraw/zinc/74/48/47/458744847.db2.gz YTYHWFSZASHRNI-UHFFFAOYSA-N 2 1 337.423 3.174 20 0 EGADMP C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000547736519 458782245 /nfs/dbraw/zinc/78/22/45/458782245.db2.gz PINPNHZKMRDDGU-DYESRHJHSA-N 2 1 345.531 3.449 20 0 EGADMP CCc1cc(NCCC[N@H+]2CCCO[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000432855382 458802208 /nfs/dbraw/zinc/80/22/08/458802208.db2.gz RETKLWMIRGBMSL-INIZCTEOSA-N 2 1 327.472 3.132 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000473282085 458823836 /nfs/dbraw/zinc/82/38/36/458823836.db2.gz ITNFOXPJVAFQGP-DLBZAZTESA-N 2 1 339.911 3.226 20 0 EGADMP C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000548064674 458832000 /nfs/dbraw/zinc/83/20/00/458832000.db2.gz XNPSTNSVOSSABI-MSOLQXFVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000548064674 458832007 /nfs/dbraw/zinc/83/20/07/458832007.db2.gz XNPSTNSVOSSABI-MSOLQXFVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000548064674 458832013 /nfs/dbraw/zinc/83/20/13/458832013.db2.gz XNPSTNSVOSSABI-MSOLQXFVSA-N 2 1 349.563 3.410 20 0 EGADMP COC(=O)c1ccccc1CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000548159166 458847628 /nfs/dbraw/zinc/84/76/28/458847628.db2.gz CBMREMDXDPNRSC-UHFFFAOYSA-N 2 1 332.488 3.068 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@@H](C)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000441335097 458920837 /nfs/dbraw/zinc/92/08/37/458920837.db2.gz XLSVIJXYAHXWQD-IEBWSBKVSA-N 2 1 331.504 3.437 20 0 EGADMP CC1CCC(N(C(=O)CN(C)CC[C@H]2CCCC[N@H+]2C)C2CC2)CC1 ZINC000441333638 458922128 /nfs/dbraw/zinc/92/21/28/458922128.db2.gz UXIFBGDEYWKRRS-JLAWEPINSA-N 2 1 349.563 3.362 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@H]3COc4ccccc4C3)C2)cc1 ZINC000556075665 458926093 /nfs/dbraw/zinc/92/60/93/458926093.db2.gz BVGTXNZEVJOSIC-PZJWPPBQSA-N 2 1 336.479 3.144 20 0 EGADMP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000576834707 458932123 /nfs/dbraw/zinc/93/21/23/458932123.db2.gz PGVVLUHYNLVKAX-INIZCTEOSA-N 2 1 344.421 3.377 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000576834707 458932131 /nfs/dbraw/zinc/93/21/31/458932131.db2.gz PGVVLUHYNLVKAX-INIZCTEOSA-N 2 1 344.421 3.377 20 0 EGADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000566560664 458960551 /nfs/dbraw/zinc/96/05/51/458960551.db2.gz GBKBOURZTCXIRR-LJQANCHMSA-N 2 1 339.414 3.032 20 0 EGADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000566560664 458960556 /nfs/dbraw/zinc/96/05/56/458960556.db2.gz GBKBOURZTCXIRR-LJQANCHMSA-N 2 1 339.414 3.032 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cc(C)ccc2OC)[C@@H](C)C1 ZINC000531689499 458961303 /nfs/dbraw/zinc/96/13/03/458961303.db2.gz KTCVOYCWVKGVFL-ICSRJNTNSA-N 2 1 348.531 3.273 20 0 EGADMP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccsc1 ZINC000531710463 458966439 /nfs/dbraw/zinc/96/64/39/458966439.db2.gz NPWGXKIVIBYEKT-LPHOPBHVSA-N 2 1 329.513 3.387 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000495879820 458990134 /nfs/dbraw/zinc/99/01/34/458990134.db2.gz WJMDGWMZICUPKC-ULQDDVLXSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000495885851 458993014 /nfs/dbraw/zinc/99/30/14/458993014.db2.gz NXCKKVOBMHOZBQ-OAGGEKHMSA-N 2 1 331.460 3.024 20 0 EGADMP C[C@H](C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000556730375 458997846 /nfs/dbraw/zinc/99/78/46/458997846.db2.gz GRTVQHAUBHSTMO-MJGOQNOKSA-N 2 1 343.540 3.430 20 0 EGADMP COc1ccccc1C[N@H+](CCCc1c[nH+]cn1C)C[C@@H]1CCCO1 ZINC000566863388 459012012 /nfs/dbraw/zinc/01/20/12/459012012.db2.gz VVDWXYBDLRBUIP-IBGZPJMESA-N 2 1 343.471 3.043 20 0 EGADMP COc1ccccc1C[N@@H+](CCCc1c[nH+]cn1C)C[C@@H]1CCCO1 ZINC000566863388 459012017 /nfs/dbraw/zinc/01/20/17/459012017.db2.gz VVDWXYBDLRBUIP-IBGZPJMESA-N 2 1 343.471 3.043 20 0 EGADMP CCCCNC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476982806 459024898 /nfs/dbraw/zinc/02/48/98/459024898.db2.gz KKJLCYMGVGJLDK-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1Cl ZINC000532091074 459028913 /nfs/dbraw/zinc/02/89/13/459028913.db2.gz JOSZLFNWAXJHOW-UHFFFAOYSA-N 2 1 344.846 3.048 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000442756958 459031796 /nfs/dbraw/zinc/03/17/96/459031796.db2.gz LGKJYXKCHHLIQV-SJORKVTESA-N 2 1 335.536 3.150 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000442756958 459031798 /nfs/dbraw/zinc/03/17/98/459031798.db2.gz LGKJYXKCHHLIQV-SJORKVTESA-N 2 1 335.536 3.150 20 0 EGADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Br)cc2cccnc21 ZINC000442761806 459032481 /nfs/dbraw/zinc/03/24/81/459032481.db2.gz CWDMJPJKGUCVMH-RYUDHWBXSA-N 2 1 334.261 3.166 20 0 EGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Br)cc2cccnc21 ZINC000442761806 459032484 /nfs/dbraw/zinc/03/24/84/459032484.db2.gz CWDMJPJKGUCVMH-RYUDHWBXSA-N 2 1 334.261 3.166 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ccccc23)[C@@H](C)C1 ZINC000532188415 459043421 /nfs/dbraw/zinc/04/34/21/459043421.db2.gz IBJZYJLXFTWBGV-FXAWDEMLSA-N 2 1 343.515 3.437 20 0 EGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)c(Cl)c1 ZINC000442870704 459048379 /nfs/dbraw/zinc/04/83/79/459048379.db2.gz GWLAKOOJSCDGBL-ZDUSSCGKSA-N 2 1 327.875 3.156 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC1(C)C ZINC000442878706 459049757 /nfs/dbraw/zinc/04/97/57/459049757.db2.gz ULUJKNJPUXRQQT-VQTJNVASSA-N 2 1 329.532 3.328 20 0 EGADMP CC(C)[C@H](CCc1ccccc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442881428 459051099 /nfs/dbraw/zinc/05/10/99/459051099.db2.gz ZKODPGAVNGUUQN-FQEVSTJZSA-N 2 1 331.548 3.259 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000442924637 459061260 /nfs/dbraw/zinc/06/12/60/459061260.db2.gz SMEDGUUNEOZQNX-KRWDZBQOSA-N 2 1 325.456 3.221 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000443054770 459078350 /nfs/dbraw/zinc/07/83/50/459078350.db2.gz ABVMJFOSXBOXNS-CQSZACIVSA-N 2 1 349.475 3.422 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000443054770 459078357 /nfs/dbraw/zinc/07/83/57/459078357.db2.gz ABVMJFOSXBOXNS-CQSZACIVSA-N 2 1 349.475 3.422 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)c(Cl)c1 ZINC000443061036 459080789 /nfs/dbraw/zinc/08/07/89/459080789.db2.gz QPXGJNITRKLSCJ-HUUCEWRRSA-N 2 1 337.895 3.345 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)c(Cl)c1 ZINC000443061036 459080796 /nfs/dbraw/zinc/08/07/96/459080796.db2.gz QPXGJNITRKLSCJ-HUUCEWRRSA-N 2 1 337.895 3.345 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(Cl)c1 ZINC000443061035 459081367 /nfs/dbraw/zinc/08/13/67/459081367.db2.gz QPXGJNITRKLSCJ-GJZGRUSLSA-N 2 1 337.895 3.345 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c(Cl)c1 ZINC000443061035 459081369 /nfs/dbraw/zinc/08/13/69/459081369.db2.gz QPXGJNITRKLSCJ-GJZGRUSLSA-N 2 1 337.895 3.345 20 0 EGADMP CSc1ccc(NC(=O)CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000532540416 459107157 /nfs/dbraw/zinc/10/71/57/459107157.db2.gz BNMPVMWWLWWIKX-UHFFFAOYSA-N 2 1 349.544 3.399 20 0 EGADMP CSc1ccc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000532540416 459107164 /nfs/dbraw/zinc/10/71/64/459107164.db2.gz BNMPVMWWLWWIKX-UHFFFAOYSA-N 2 1 349.544 3.399 20 0 EGADMP CSc1ccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000532540416 459107168 /nfs/dbraw/zinc/10/71/68/459107168.db2.gz BNMPVMWWLWWIKX-UHFFFAOYSA-N 2 1 349.544 3.399 20 0 EGADMP COc1ccccc1[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000577963869 459124986 /nfs/dbraw/zinc/12/49/86/459124986.db2.gz QWCBRBRDTBQRIS-SCTDSRPQSA-N 2 1 331.504 3.082 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000496284136 459135501 /nfs/dbraw/zinc/13/55/01/459135501.db2.gz NNPBXGZAXWSYQM-JKSUJKDBSA-N 2 1 331.460 3.026 20 0 EGADMP Cc1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000521331647 459140963 /nfs/dbraw/zinc/14/09/63/459140963.db2.gz KXZGGDQPJILVRY-MRXNPFEDSA-N 2 1 335.542 3.196 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCc4ccccc4OC3)C2)cc1 ZINC000479464043 459141823 /nfs/dbraw/zinc/14/18/23/459141823.db2.gz KPPVFSAFSYPTAC-TZIWHRDSSA-N 2 1 336.479 3.492 20 0 EGADMP CC1CC[NH+](CCN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000558477764 459164618 /nfs/dbraw/zinc/16/46/18/459164618.db2.gz IWRGCKYPIYLUJG-FGZHOGPDSA-N 2 1 341.543 3.172 20 0 EGADMP CCOC(=O)c1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)[nH]c1C ZINC000590638744 459169223 /nfs/dbraw/zinc/16/92/23/459169223.db2.gz HLDZSZDZTFZIJR-UHFFFAOYSA-N 2 1 335.492 3.052 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCC)[C@H]2Oc2ccccc2)CC1 ZINC000480332606 459194218 /nfs/dbraw/zinc/19/42/18/459194218.db2.gz LBRDYSDEBNYCIF-AQNXPRMDSA-N 2 1 332.488 3.075 20 0 EGADMP CC[C@@H](CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)[N@H+]1CCc2ccccc2C1 ZINC000480378837 459196263 /nfs/dbraw/zinc/19/62/63/459196263.db2.gz OQPCTWDAWKCCEN-APWZRJJASA-N 2 1 345.531 3.106 20 0 EGADMP Cc1ccc(C)c(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000590787288 459218520 /nfs/dbraw/zinc/21/85/20/459218520.db2.gz YLSQOKWJNHCQBW-UHFFFAOYSA-N 2 1 331.504 3.294 20 0 EGADMP Cc1ccc(C)c(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000590787288 459218525 /nfs/dbraw/zinc/21/85/25/459218525.db2.gz YLSQOKWJNHCQBW-UHFFFAOYSA-N 2 1 331.504 3.294 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCO[C@@H]2CCCC[C@H]2C)[C@H](C)C1 ZINC000480922320 459223799 /nfs/dbraw/zinc/22/37/99/459223799.db2.gz WOOVAVZRYMWZQW-YSTOQKLRSA-N 2 1 340.552 3.308 20 0 EGADMP C[C@]1(CO)CCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000568087096 459225138 /nfs/dbraw/zinc/22/51/38/459225138.db2.gz NPVBOSNJYKVWQB-XUVXKRRUSA-N 2 1 328.500 3.324 20 0 EGADMP C[C@]1(CO)CCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000568087096 459225142 /nfs/dbraw/zinc/22/51/42/459225142.db2.gz NPVBOSNJYKVWQB-XUVXKRRUSA-N 2 1 328.500 3.324 20 0 EGADMP CCCN(CCC)C(=O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183284 459237136 /nfs/dbraw/zinc/23/71/36/459237136.db2.gz AWJKGMVRRJWIGE-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CCCN(CCC)C(=O)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000481183284 459237145 /nfs/dbraw/zinc/23/71/45/459237145.db2.gz AWJKGMVRRJWIGE-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CCCN(CCC)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183284 459237152 /nfs/dbraw/zinc/23/71/52/459237152.db2.gz AWJKGMVRRJWIGE-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CCCN(CCC)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183284 459237160 /nfs/dbraw/zinc/23/71/60/459237160.db2.gz AWJKGMVRRJWIGE-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP Cc1cnc2cc(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)ccn12 ZINC000568193326 459245220 /nfs/dbraw/zinc/24/52/20/459245220.db2.gz GEXGMNBQSSTGPX-OAHLLOKOSA-N 2 1 328.460 3.027 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000568328368 459269043 /nfs/dbraw/zinc/26/90/43/459269043.db2.gz ROEIFIUEHUJNIA-KRWDZBQOSA-N 2 1 332.488 3.462 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000568328368 459269050 /nfs/dbraw/zinc/26/90/50/459269050.db2.gz ROEIFIUEHUJNIA-KRWDZBQOSA-N 2 1 332.488 3.462 20 0 EGADMP COC(=O)c1cccc(C[N@@H+](C)C2CCC2)c1C[NH+](C)C1CCC1 ZINC000595327599 459277380 /nfs/dbraw/zinc/27/73/80/459277380.db2.gz QEIKRWIWHPNVEZ-UHFFFAOYSA-N 2 1 330.472 3.442 20 0 EGADMP COC(=O)c1cccc(C[NH+](C)C2CCC2)c1C[N@H+](C)C1CCC1 ZINC000595327599 459277386 /nfs/dbraw/zinc/27/73/86/459277386.db2.gz QEIKRWIWHPNVEZ-UHFFFAOYSA-N 2 1 330.472 3.442 20 0 EGADMP COC(=O)c1cccc(C[NH+](C)C2CCC2)c1C[N@@H+](C)C1CCC1 ZINC000595327599 459277389 /nfs/dbraw/zinc/27/73/89/459277389.db2.gz QEIKRWIWHPNVEZ-UHFFFAOYSA-N 2 1 330.472 3.442 20 0 EGADMP C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000568412232 459284640 /nfs/dbraw/zinc/28/46/40/459284640.db2.gz OTJWSVGRJYIIMV-DLBZAZTESA-N 2 1 346.519 3.091 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000568412232 459284646 /nfs/dbraw/zinc/28/46/46/459284646.db2.gz OTJWSVGRJYIIMV-DLBZAZTESA-N 2 1 346.519 3.091 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000568412232 459284654 /nfs/dbraw/zinc/28/46/54/459284654.db2.gz OTJWSVGRJYIIMV-DLBZAZTESA-N 2 1 346.519 3.091 20 0 EGADMP C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000568412234 459284921 /nfs/dbraw/zinc/28/49/21/459284921.db2.gz OTJWSVGRJYIIMV-IRXDYDNUSA-N 2 1 346.519 3.091 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000568412234 459284928 /nfs/dbraw/zinc/28/49/28/459284928.db2.gz OTJWSVGRJYIIMV-IRXDYDNUSA-N 2 1 346.519 3.091 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000568412234 459284937 /nfs/dbraw/zinc/28/49/37/459284937.db2.gz OTJWSVGRJYIIMV-IRXDYDNUSA-N 2 1 346.519 3.091 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCCn3ccnc3)CC2)cc1 ZINC000582096392 459306772 /nfs/dbraw/zinc/30/67/72/459306772.db2.gz LASUSQGBXXCTHK-UHFFFAOYSA-N 2 1 344.478 3.099 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496755053 459311627 /nfs/dbraw/zinc/31/16/27/459311627.db2.gz QJJXPVHOTABGEM-VVLHAWIVSA-N 2 1 339.524 3.237 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496755053 459311631 /nfs/dbraw/zinc/31/16/31/459311631.db2.gz QJJXPVHOTABGEM-VVLHAWIVSA-N 2 1 339.524 3.237 20 0 EGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496755051 459311745 /nfs/dbraw/zinc/31/17/45/459311745.db2.gz QJJXPVHOTABGEM-QZWWFDLISA-N 2 1 339.524 3.237 20 0 EGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496755051 459311749 /nfs/dbraw/zinc/31/17/49/459311749.db2.gz QJJXPVHOTABGEM-QZWWFDLISA-N 2 1 339.524 3.237 20 0 EGADMP CCC(C)(C)[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000560343687 459326767 /nfs/dbraw/zinc/32/67/67/459326767.db2.gz UGROGMONNMZITC-APWZRJJASA-N 2 1 345.531 3.298 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)CN[C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000568764254 459341318 /nfs/dbraw/zinc/34/13/18/459341318.db2.gz OPTHYRSRBNPLFH-DYVFJYSZSA-N 2 1 333.501 3.082 20 0 EGADMP CCN(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000568764254 459341323 /nfs/dbraw/zinc/34/13/23/459341323.db2.gz OPTHYRSRBNPLFH-DYVFJYSZSA-N 2 1 333.501 3.082 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000524156146 459349475 /nfs/dbraw/zinc/34/94/75/459349475.db2.gz NBEKNNPGZLYZQB-SFHVURJKSA-N 2 1 345.531 3.086 20 0 EGADMP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)c2)CC1 ZINC000540748557 459385323 /nfs/dbraw/zinc/38/53/23/459385323.db2.gz QFAGRXCBUGFYFW-DBXWQHBBSA-N 2 1 344.547 3.358 20 0 EGADMP C[C@H](Nc1cc[nH+]c2ccccc12)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000524945211 459406180 /nfs/dbraw/zinc/40/61/80/459406180.db2.gz PMTUGVAJKWELHP-JTSKRJEESA-N 2 1 347.462 3.358 20 0 EGADMP C[C@H](Nc1cc[nH+]c2ccccc12)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000524945211 459406204 /nfs/dbraw/zinc/40/62/04/459406204.db2.gz PMTUGVAJKWELHP-JTSKRJEESA-N 2 1 347.462 3.358 20 0 EGADMP COc1nc2ccccc2cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000560966685 459407664 /nfs/dbraw/zinc/40/76/64/459407664.db2.gz IXBMPNNDQWPYFC-VQIMIIECSA-N 2 1 325.456 3.207 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000560966685 459407668 /nfs/dbraw/zinc/40/76/68/459407668.db2.gz IXBMPNNDQWPYFC-VQIMIIECSA-N 2 1 325.456 3.207 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000497027923 459410686 /nfs/dbraw/zinc/41/06/86/459410686.db2.gz LMNKZBMUMBYRSF-MRXNPFEDSA-N 2 1 339.524 3.001 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000497027922 459411015 /nfs/dbraw/zinc/41/10/15/459411015.db2.gz LMNKZBMUMBYRSF-INIZCTEOSA-N 2 1 339.524 3.001 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CC12CCOCC2 ZINC000582725145 459416886 /nfs/dbraw/zinc/41/68/86/459416886.db2.gz GSMZXJOPFHWDKV-HNNXBMFYSA-N 2 1 345.874 3.076 20 0 EGADMP COc1cc2c(cc1C[NH2+]CCCCn1cc[nH+]c1C)O[C@H](C)C2 ZINC000525184069 459424614 /nfs/dbraw/zinc/42/46/14/459424614.db2.gz JMQWCFHNAAHCFG-CQSZACIVSA-N 2 1 329.444 3.094 20 0 EGADMP CC(C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000484875170 459432673 /nfs/dbraw/zinc/43/26/73/459432673.db2.gz GNPNZCCRPZYEIU-XUVXKRRUSA-N 2 1 346.515 3.358 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)C1 ZINC000582887310 459444894 /nfs/dbraw/zinc/44/48/94/459444894.db2.gz OFJIBGLIILQVMU-ATZDWAIDSA-N 2 1 336.907 3.362 20 0 EGADMP CC[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000569500619 459462447 /nfs/dbraw/zinc/46/24/47/459462447.db2.gz FEUULBHMDMYJEI-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000561532090 459462791 /nfs/dbraw/zinc/46/27/91/459462791.db2.gz MVUAZBJUILIHFU-HXUWFJFHSA-N 2 1 345.531 3.475 20 0 EGADMP CN(C[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C1CCCCC1)C1CC1 ZINC000569652024 459486359 /nfs/dbraw/zinc/48/63/59/459486359.db2.gz NKBHPFREBWYGSL-HXUWFJFHSA-N 2 1 334.479 3.416 20 0 EGADMP C[NH+](C[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C1CCCCC1)C1CC1 ZINC000569652024 459486374 /nfs/dbraw/zinc/48/63/74/459486374.db2.gz NKBHPFREBWYGSL-HXUWFJFHSA-N 2 1 334.479 3.416 20 0 EGADMP C[NH+](C[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C1CCCCC1)C1CC1 ZINC000569652024 459486378 /nfs/dbraw/zinc/48/63/78/459486378.db2.gz NKBHPFREBWYGSL-HXUWFJFHSA-N 2 1 334.479 3.416 20 0 EGADMP C[C@H]1COCC[N@@H+]1CCS[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000592354496 459578667 /nfs/dbraw/zinc/57/86/67/459578667.db2.gz HGZMBLHWQUMBJT-HKUYNNGSSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@H]1COCC[N@H+]1CCS[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000592354496 459578670 /nfs/dbraw/zinc/57/86/70/459578670.db2.gz HGZMBLHWQUMBJT-HKUYNNGSSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@H]1COCC[NH+]1CCS[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000592354496 459578676 /nfs/dbraw/zinc/57/86/76/459578676.db2.gz HGZMBLHWQUMBJT-HKUYNNGSSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@H]1COCC[NH+]1CCS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000592354496 459578679 /nfs/dbraw/zinc/57/86/79/459578679.db2.gz HGZMBLHWQUMBJT-HKUYNNGSSA-N 2 1 334.529 3.105 20 0 EGADMP COC(=O)c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C)s1 ZINC000592491623 459613656 /nfs/dbraw/zinc/61/36/56/459613656.db2.gz BIWJNFKFJFQHAU-GJZGRUSLSA-N 2 1 336.501 3.055 20 0 EGADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000573452815 459680588 /nfs/dbraw/zinc/68/05/88/459680588.db2.gz HIZOSOUZKPJVRK-BDTNDASRSA-N 2 1 338.495 3.324 20 0 EGADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000573452815 459680591 /nfs/dbraw/zinc/68/05/91/459680591.db2.gz HIZOSOUZKPJVRK-BDTNDASRSA-N 2 1 338.495 3.324 20 0 EGADMP CC(C)[NH2+]C1(CO)CC[NH+](CCCSCc2ccccc2)CC1 ZINC000584240143 459690487 /nfs/dbraw/zinc/69/04/87/459690487.db2.gz XZTVSLXCSLAMIE-UHFFFAOYSA-N 2 1 336.545 3.135 20 0 EGADMP CCCOc1ccc(OCC[N@H+]2CC[C@@H](c3nccn3C)C2)cc1 ZINC000573739733 459726946 /nfs/dbraw/zinc/72/69/46/459726946.db2.gz CICQDHSRNMSTMJ-MRXNPFEDSA-N 2 1 329.444 3.077 20 0 EGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563214850 459740636 /nfs/dbraw/zinc/74/06/36/459740636.db2.gz AVSJROWMZPUSNM-WBVHZDCISA-N 2 1 341.455 3.090 20 0 EGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563214850 459740642 /nfs/dbraw/zinc/74/06/42/459740642.db2.gz AVSJROWMZPUSNM-WBVHZDCISA-N 2 1 341.455 3.090 20 0 EGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000544577607 459769758 /nfs/dbraw/zinc/76/97/58/459769758.db2.gz LKFQBOAQRAQVLA-QPCUUSJWSA-N 2 1 333.564 3.209 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000566108639 459806690 /nfs/dbraw/zinc/80/66/90/459806690.db2.gz HEUMTSWHXHREGL-OAHLLOKOSA-N 2 1 337.895 3.379 20 0 EGADMP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc2ccccc2c1 ZINC000574630733 459843646 /nfs/dbraw/zinc/84/36/46/459843646.db2.gz QXFJUULCNFAYRV-CQSZACIVSA-N 2 1 335.455 3.276 20 0 EGADMP CC(C)c1ccc(C[C@@H]2CC[N@@H+](C[C@H](O)CN(C)C3CC3)C2)cc1 ZINC000574725715 459861152 /nfs/dbraw/zinc/86/11/52/459861152.db2.gz PJSIQWKVYZMTLY-GHTZIAJQSA-N 2 1 330.516 3.130 20 0 EGADMP CC(C)c1ccc(C[C@@H]2CC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000574725715 459861156 /nfs/dbraw/zinc/86/11/56/459861156.db2.gz PJSIQWKVYZMTLY-GHTZIAJQSA-N 2 1 330.516 3.130 20 0 EGADMP CC(C)c1ccc(C[C@@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000574725715 459861164 /nfs/dbraw/zinc/86/11/64/459861164.db2.gz PJSIQWKVYZMTLY-GHTZIAJQSA-N 2 1 330.516 3.130 20 0 EGADMP CC(C)c1ccc(C[C@@H]2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000574725715 459861170 /nfs/dbraw/zinc/86/11/70/459861170.db2.gz PJSIQWKVYZMTLY-GHTZIAJQSA-N 2 1 330.516 3.130 20 0 EGADMP CC(C)c1ccc(C[C@@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000574725715 459861176 /nfs/dbraw/zinc/86/11/76/459861176.db2.gz PJSIQWKVYZMTLY-GHTZIAJQSA-N 2 1 330.516 3.130 20 0 EGADMP C[C@H](C[S@](C)=O)[N@@H+](C)[C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000602616587 460024596 /nfs/dbraw/zinc/02/45/96/460024596.db2.gz WDFPFEFIJOBBTK-OOULBGLYSA-N 2 1 334.529 3.053 20 0 EGADMP C[C@H](C[S@](C)=O)N(C)[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602616587 460024604 /nfs/dbraw/zinc/02/46/04/460024604.db2.gz WDFPFEFIJOBBTK-OOULBGLYSA-N 2 1 334.529 3.053 20 0 EGADMP C[C@H](C[S@](C)=O)N(C)[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602616587 460024609 /nfs/dbraw/zinc/02/46/09/460024609.db2.gz WDFPFEFIJOBBTK-OOULBGLYSA-N 2 1 334.529 3.053 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](CC(C)C)C3)CC2)CC1 ZINC000575879917 460025734 /nfs/dbraw/zinc/02/57/34/460025734.db2.gz DNVLHHDCAHXBCO-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP COC(=O)CC1CCC([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000599041619 460136911 /nfs/dbraw/zinc/13/69/11/460136911.db2.gz FVGNBFZOIZOSBN-NALMEZQBSA-N 2 1 336.520 3.351 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2)C1 ZINC000599310370 460224864 /nfs/dbraw/zinc/22/48/64/460224864.db2.gz WKUZYXROTLSRAF-YLJYHZDGSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000599310370 460224866 /nfs/dbraw/zinc/22/48/66/460224866.db2.gz WKUZYXROTLSRAF-YLJYHZDGSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@H]3CCCC[N@H+]3C)cc2)C1 ZINC000599310370 460224867 /nfs/dbraw/zinc/22/48/67/460224867.db2.gz WKUZYXROTLSRAF-YLJYHZDGSA-N 2 1 343.515 3.019 20 0 EGADMP FC(F)(F)c1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000603517261 460315148 /nfs/dbraw/zinc/31/51/48/460315148.db2.gz LNXBZLRHJWQIPQ-INIZCTEOSA-N 2 1 342.405 3.438 20 0 EGADMP CSC[C@@H]1CCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000611274721 460325130 /nfs/dbraw/zinc/32/51/30/460325130.db2.gz MYAJGELXCNKOIW-SFHVURJKSA-N 2 1 334.529 3.489 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)Cc2c(C)[nH]c(C(=O)OCC)c2C)CC1 ZINC000600110468 460385976 /nfs/dbraw/zinc/38/59/76/460385976.db2.gz UWLNQRSAHDUXFI-UHFFFAOYSA-N 2 1 335.492 3.114 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)Cc2c(C)[nH]c(C(=O)OCC)c2C)CC1 ZINC000600110468 460385983 /nfs/dbraw/zinc/38/59/83/460385983.db2.gz UWLNQRSAHDUXFI-UHFFFAOYSA-N 2 1 335.492 3.114 20 0 EGADMP Cc1ccc([C@H](C)C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000600120176 460391203 /nfs/dbraw/zinc/39/12/03/460391203.db2.gz JBTIYYWSLFDUPG-CTNGQTDRSA-N 2 1 329.532 3.199 20 0 EGADMP CSc1cc(Br)ccc1C[NH2+]CCc1c[nH+]cn1C ZINC000623086499 460406204 /nfs/dbraw/zinc/40/62/04/460406204.db2.gz VMECWFMQAILRDH-UHFFFAOYSA-N 2 1 340.290 3.237 20 0 EGADMP Cc1ccc(SCC[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1C ZINC000604389393 460418490 /nfs/dbraw/zinc/41/84/90/460418490.db2.gz PRIVPKOVCWZEQO-LJQANCHMSA-N 2 1 347.572 3.107 20 0 EGADMP Cc1ccc(SCC[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1C ZINC000604389393 460418494 /nfs/dbraw/zinc/41/84/94/460418494.db2.gz PRIVPKOVCWZEQO-LJQANCHMSA-N 2 1 347.572 3.107 20 0 EGADMP Fc1ccc(COc2ccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC000619725490 460423440 /nfs/dbraw/zinc/42/34/40/460423440.db2.gz SLLTXBKJVWROIX-QZTJIDSGSA-N 2 1 326.415 3.056 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1)C(C)C ZINC000634761442 460512959 /nfs/dbraw/zinc/51/29/59/460512959.db2.gz BNPBKJCRYQECHO-IBGZPJMESA-N 2 1 345.531 3.425 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000635325316 460745782 /nfs/dbraw/zinc/74/57/82/460745782.db2.gz NIJDXAZFVCJNLD-KRWDZBQOSA-N 2 1 343.515 3.019 20 0 EGADMP FC(F)(F)c1ncccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000629543653 460803062 /nfs/dbraw/zinc/80/30/62/460803062.db2.gz COAAPWUMMIAVOE-AWEZNQCLSA-N 2 1 327.394 3.312 20 0 EGADMP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1cn([C@H]3CC[NH2+]C3)nn1)CCCC2 ZINC000629552533 460805156 /nfs/dbraw/zinc/80/51/56/460805156.db2.gz LQWUVBJHDLIMAC-WMZOPIPTSA-N 2 1 345.878 3.023 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(F)c3cccnc23)CC[C@@H]1C(F)(F)F ZINC000629563094 460811434 /nfs/dbraw/zinc/81/14/34/460811434.db2.gz PUQLKAOMQISEGS-OCCSQVGLSA-N 2 1 341.352 3.333 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)c3cccnc23)CC[C@@H]1C(F)(F)F ZINC000629563094 460811439 /nfs/dbraw/zinc/81/14/39/460811439.db2.gz PUQLKAOMQISEGS-OCCSQVGLSA-N 2 1 341.352 3.333 20 0 EGADMP C[N@@H+](Cc1ccccc1NC[C@@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000629583025 460814117 /nfs/dbraw/zinc/81/41/17/460814117.db2.gz ZVUSRCCDFXWURA-HXUWFJFHSA-N 2 1 345.531 3.320 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000635564824 460832605 /nfs/dbraw/zinc/83/26/05/460832605.db2.gz KRFHZWUPIXLFTI-GGPKGHCWSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000635564824 460832610 /nfs/dbraw/zinc/83/26/10/460832610.db2.gz KRFHZWUPIXLFTI-GGPKGHCWSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000635564824 460832615 /nfs/dbraw/zinc/83/26/15/460832615.db2.gz KRFHZWUPIXLFTI-GGPKGHCWSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]([NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC000635563556 460833428 /nfs/dbraw/zinc/83/34/28/460833428.db2.gz YTQWFGJOSLDJAV-QZTJIDSGSA-N 2 1 343.515 3.108 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629652741 460847634 /nfs/dbraw/zinc/84/76/34/460847634.db2.gz BOWTVABEOPMVLQ-HIFRSBDPSA-N 2 1 338.377 3.036 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629652741 460847637 /nfs/dbraw/zinc/84/76/37/460847637.db2.gz BOWTVABEOPMVLQ-HIFRSBDPSA-N 2 1 338.377 3.036 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000624120504 460871066 /nfs/dbraw/zinc/87/10/66/460871066.db2.gz AOQKEWYJTNMLNE-MJGOQNOKSA-N 2 1 326.488 3.314 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000624120504 460871071 /nfs/dbraw/zinc/87/10/71/460871071.db2.gz AOQKEWYJTNMLNE-MJGOQNOKSA-N 2 1 326.488 3.314 20 0 EGADMP C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ncc(Br)cc1F ZINC000624123445 460872383 /nfs/dbraw/zinc/87/23/83/460872383.db2.gz MASPYHVBNLZFAU-NEPJUHHUSA-N 2 1 344.272 3.366 20 0 EGADMP CCN(C(=O)c1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617922659 461022442 /nfs/dbraw/zinc/02/24/42/461022442.db2.gz POEXYDZZEZJXOO-HXUWFJFHSA-N 2 1 343.515 3.229 20 0 EGADMP Cc1cc(CN(C)CC[C@H]2CCCC[N@H+]2C)ncc1Br ZINC000628183692 461035264 /nfs/dbraw/zinc/03/52/64/461035264.db2.gz KEOPNTJSGOLGRB-OAHLLOKOSA-N 2 1 340.309 3.459 20 0 EGADMP Cc1cccc(C)c1OCCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348982 461141908 /nfs/dbraw/zinc/14/19/08/461141908.db2.gz XXJMVRNHRSBRRY-UFYCRDLUSA-N 2 1 346.515 3.291 20 0 EGADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349198 461142632 /nfs/dbraw/zinc/14/26/32/461142632.db2.gz FJXFCGQNJPOXMO-FXUDXRNXSA-N 2 1 335.492 3.251 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(-c4cccs4)on3)C2)C1 ZINC000652346584 461143000 /nfs/dbraw/zinc/14/30/00/461143000.db2.gz ASUOLZBMBCJNBH-IIAWOOMASA-N 2 1 347.484 3.121 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000652349292 461143197 /nfs/dbraw/zinc/14/31/97/461143197.db2.gz JHYYIXCQGNZYFX-XGWLTEMNSA-N 2 1 326.843 3.197 20 0 EGADMP C[C@H]1CCC[N@H+](CC(=O)Nc2cccc3ccccc32)[C@H]1CC[NH3+] ZINC000652353560 461146357 /nfs/dbraw/zinc/14/63/57/461146357.db2.gz QPCNLEAYEGKPRD-KXBFYZLASA-N 2 1 325.456 3.228 20 0 EGADMP C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc3ccccc32)[C@H]1CC[NH3+] ZINC000652353560 461146362 /nfs/dbraw/zinc/14/63/62/461146362.db2.gz QPCNLEAYEGKPRD-KXBFYZLASA-N 2 1 325.456 3.228 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H](c2ccsc2)O1 ZINC000662257155 461147052 /nfs/dbraw/zinc/14/70/52/461147052.db2.gz NLXMXGDBGNICFZ-IFXJQAMLSA-N 2 1 328.481 3.356 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H](c2ccsc2)O1 ZINC000662257155 461147060 /nfs/dbraw/zinc/14/70/60/461147060.db2.gz NLXMXGDBGNICFZ-IFXJQAMLSA-N 2 1 328.481 3.356 20 0 EGADMP CC(C)(C)c1csc([C@H]2CCCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662260870 461149985 /nfs/dbraw/zinc/14/99/85/461149985.db2.gz SENFAHAJWBYBKK-HUUCEWRRSA-N 2 1 349.544 3.489 20 0 EGADMP CC(C)(C)c1csc([C@H]2CCCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662260870 461149993 /nfs/dbraw/zinc/14/99/93/461149993.db2.gz SENFAHAJWBYBKK-HUUCEWRRSA-N 2 1 349.544 3.489 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)[C@@H]1CC[NH3+] ZINC000652354017 461150031 /nfs/dbraw/zinc/15/00/31/461150031.db2.gz KMGLHBMHXGFBOI-LSTHTHJFSA-N 2 1 343.515 3.020 20 0 EGADMP CSc1ccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662291102 461168364 /nfs/dbraw/zinc/16/83/64/461168364.db2.gz PFLDKHMDKXOIEZ-INIZCTEOSA-N 2 1 347.528 3.059 20 0 EGADMP Cc1sc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(C)c1C ZINC000662291568 461170668 /nfs/dbraw/zinc/17/06/68/461170668.db2.gz IHCKPSOPRVEGKL-QGZVFWFLSA-N 2 1 349.544 3.323 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000668194624 461171269 /nfs/dbraw/zinc/17/12/69/461171269.db2.gz LBUVNQOCQSJGGE-FXAWDEMLSA-N 2 1 332.488 3.018 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000668194624 461171274 /nfs/dbraw/zinc/17/12/74/461171274.db2.gz LBUVNQOCQSJGGE-FXAWDEMLSA-N 2 1 332.488 3.018 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000668194624 461171278 /nfs/dbraw/zinc/17/12/78/461171278.db2.gz LBUVNQOCQSJGGE-FXAWDEMLSA-N 2 1 332.488 3.018 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000668194624 461171283 /nfs/dbraw/zinc/17/12/83/461171283.db2.gz LBUVNQOCQSJGGE-FXAWDEMLSA-N 2 1 332.488 3.018 20 0 EGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@@H](C)c3cnc(C)nc3C)C2)c1 ZINC000638008077 461194191 /nfs/dbraw/zinc/19/41/91/461194191.db2.gz WLPRHWJBKKOQTK-RDJZCZTQSA-N 2 1 325.460 3.292 20 0 EGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@@H](C)c3cnc(C)nc3C)C2)c1 ZINC000638008077 461194196 /nfs/dbraw/zinc/19/41/96/461194196.db2.gz WLPRHWJBKKOQTK-RDJZCZTQSA-N 2 1 325.460 3.292 20 0 EGADMP CO[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCOCC1 ZINC000638023471 461203786 /nfs/dbraw/zinc/20/37/86/461203786.db2.gz NYCZDDUFMKZTDB-QUCCMNQESA-N 2 1 338.536 3.016 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](NC)c1cccc(Cl)c1Cl ZINC000662439869 461242345 /nfs/dbraw/zinc/24/23/45/461242345.db2.gz QNSLMKOXCSIYAJ-ABAIWWIYSA-N 2 1 346.302 3.100 20 0 EGADMP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662439869 461242357 /nfs/dbraw/zinc/24/23/57/461242357.db2.gz QNSLMKOXCSIYAJ-ABAIWWIYSA-N 2 1 346.302 3.100 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662439869 461242367 /nfs/dbraw/zinc/24/23/67/461242367.db2.gz QNSLMKOXCSIYAJ-ABAIWWIYSA-N 2 1 346.302 3.100 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000662497256 461269824 /nfs/dbraw/zinc/26/98/24/461269824.db2.gz HABRPPVOUCVXQR-PBEJRMEISA-N 2 1 349.478 3.000 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3[NH2+]CCC3(C)C)cc2)C1 ZINC000662676491 461343347 /nfs/dbraw/zinc/34/33/47/461343347.db2.gz XJXWTHJTMBJVNI-MAUKXSAKSA-N 2 1 329.488 3.245 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2[NH2+]CCC2(C)C)cc1 ZINC000662675407 461343568 /nfs/dbraw/zinc/34/35/68/461343568.db2.gz MWYYZIVWMZERCM-MAUKXSAKSA-N 2 1 329.488 3.388 20 0 EGADMP CCn1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(-c2ccccc2)n1 ZINC000641761218 461356920 /nfs/dbraw/zinc/35/69/20/461356920.db2.gz PZMFRVPVYFFCPM-KRWDZBQOSA-N 2 1 326.488 3.392 20 0 EGADMP c1cnc2c(c1)cccc2CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655686414 461362506 /nfs/dbraw/zinc/36/25/06/461362506.db2.gz GFXWZGIJDTWABE-FQEVSTJZSA-N 2 1 339.483 3.010 20 0 EGADMP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000638316025 461363016 /nfs/dbraw/zinc/36/30/16/461363016.db2.gz KXLCZRMFPUBBKS-INIZCTEOSA-N 2 1 338.492 3.188 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCCn3ccnc32)cc1 ZINC000655691488 461364897 /nfs/dbraw/zinc/36/48/97/461364897.db2.gz BQFZBSLXMDJPMJ-IBGZPJMESA-N 2 1 342.487 3.228 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCCn3ccnc32)cc1 ZINC000655691490 461365320 /nfs/dbraw/zinc/36/53/20/461365320.db2.gz BQFZBSLXMDJPMJ-LJQANCHMSA-N 2 1 342.487 3.228 20 0 EGADMP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000638326457 461368444 /nfs/dbraw/zinc/36/84/44/461368444.db2.gz YGZOXGZAQNWXRS-INIZCTEOSA-N 2 1 338.492 3.188 20 0 EGADMP CC(C)COc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655711156 461380860 /nfs/dbraw/zinc/38/08/60/461380860.db2.gz FUENPLQKYNUYET-FQEVSTJZSA-N 2 1 346.515 3.107 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1ccc2ccccc2c1 ZINC000641806554 461381210 /nfs/dbraw/zinc/38/12/10/461381210.db2.gz QAQRAVIGLNAUMY-KODHJQJWSA-N 2 1 339.483 3.121 20 0 EGADMP Fc1ccc(C2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCC2)cc1 ZINC000655713452 461382775 /nfs/dbraw/zinc/38/27/75/461382775.db2.gz MTYWDLDIIQTLJO-HXUWFJFHSA-N 2 1 346.490 3.480 20 0 EGADMP c1ccc([C@@H]2C[C@H](NC[C@H]3CC[NH+](C4CC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000638360635 461385315 /nfs/dbraw/zinc/38/53/15/461385315.db2.gz XQMQOVCSRINWDI-JUXOCIIHSA-N 2 1 339.527 3.428 20 0 EGADMP c1ccc([C@@H]2C[C@H](NC[C@H]3CC[N@@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638360635 461385320 /nfs/dbraw/zinc/38/53/20/461385320.db2.gz XQMQOVCSRINWDI-JUXOCIIHSA-N 2 1 339.527 3.428 20 0 EGADMP c1ccc([C@@H]2C[C@H](NC[C@H]3CC[N@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638360635 461385326 /nfs/dbraw/zinc/38/53/26/461385326.db2.gz XQMQOVCSRINWDI-JUXOCIIHSA-N 2 1 339.527 3.428 20 0 EGADMP CC[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Oc1cccc(C)c1 ZINC000655729716 461399145 /nfs/dbraw/zinc/39/91/45/461399145.db2.gz CXTZVPDGHQTMBX-CTNGQTDRSA-N 2 1 346.515 3.385 20 0 EGADMP Cc1cc(N2CCC([NH2+]Cc3ccc4[nH]ccc4c3)CC2)nc(C)[nH+]1 ZINC000655744548 461412647 /nfs/dbraw/zinc/41/26/47/461412647.db2.gz ROQSTNYLCRRLRR-UHFFFAOYSA-N 2 1 335.455 3.333 20 0 EGADMP CC(C)CNC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000659878873 461478522 /nfs/dbraw/zinc/47/85/22/461478522.db2.gz RIXVEJVAJSPKHD-IBGZPJMESA-N 2 1 337.552 3.127 20 0 EGADMP C[C@@]1(C[NH2+]CC2([NH+]3CCCC3)CCOCC2)C[C@H]1c1ccccc1 ZINC000638558725 461484002 /nfs/dbraw/zinc/48/40/02/461484002.db2.gz RDWQOJMNDFDTAA-PMACEKPBSA-N 2 1 328.500 3.415 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc(NC(C)=O)c2)c1 ZINC000631065428 461516358 /nfs/dbraw/zinc/51/63/58/461516358.db2.gz RUJSWWOTEPOJIU-UHFFFAOYSA-N 2 1 325.456 3.387 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000659983214 461529262 /nfs/dbraw/zinc/52/92/62/461529262.db2.gz GZNLNKFLJOIMSY-SFHVURJKSA-N 2 1 347.528 3.296 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631090068 461539421 /nfs/dbraw/zinc/53/94/21/461539421.db2.gz HAXTXJNSAKALBJ-IGOJGBNBSA-N 2 1 325.456 3.033 20 0 EGADMP Clc1ccccc1Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000642630931 461541468 /nfs/dbraw/zinc/54/14/68/461541468.db2.gz ROMRACSIWXDCIH-QZTJIDSGSA-N 2 1 344.890 3.301 20 0 EGADMP Clc1ccccc1Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000642630931 461541479 /nfs/dbraw/zinc/54/14/79/461541479.db2.gz ROMRACSIWXDCIH-QZTJIDSGSA-N 2 1 344.890 3.301 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc3ccccc3n2C)CC1 ZINC000638730522 461555189 /nfs/dbraw/zinc/55/51/89/461555189.db2.gz XXEYKZQPFWWYHO-UHFFFAOYSA-N 2 1 329.488 3.157 20 0 EGADMP CCCCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000653200845 461555729 /nfs/dbraw/zinc/55/57/29/461555729.db2.gz RRLZOFFTYRZYNI-HXUWFJFHSA-N 2 1 345.531 3.185 20 0 EGADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(F)c1 ZINC000631109600 461559558 /nfs/dbraw/zinc/55/95/58/461559558.db2.gz GDIWRRSODIVDKA-FQEVSTJZSA-N 2 1 342.458 3.381 20 0 EGADMP Fc1ccc(-n2nccc2C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663344074 461571025 /nfs/dbraw/zinc/57/10/25/461571025.db2.gz NJZNGMQGAZJPHP-KRWDZBQOSA-N 2 1 342.462 3.223 20 0 EGADMP Fc1ccc(-n2nccc2C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663344074 461571027 /nfs/dbraw/zinc/57/10/27/461571027.db2.gz NJZNGMQGAZJPHP-KRWDZBQOSA-N 2 1 342.462 3.223 20 0 EGADMP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345237 461573885 /nfs/dbraw/zinc/57/38/85/461573885.db2.gz HFUNVQFXTFOQRD-INIZCTEOSA-N 2 1 325.456 3.152 20 0 EGADMP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345237 461573895 /nfs/dbraw/zinc/57/38/95/461573895.db2.gz HFUNVQFXTFOQRD-INIZCTEOSA-N 2 1 325.456 3.152 20 0 EGADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC ZINC000663346663 461577771 /nfs/dbraw/zinc/57/77/71/461577771.db2.gz CBJCVJOAXRNGFS-SFHVURJKSA-N 2 1 332.488 3.306 20 0 EGADMP Fc1ccccc1-c1n[nH]cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346590 461578035 /nfs/dbraw/zinc/57/80/35/461578035.db2.gz WCVCAZZJLZUVRK-INIZCTEOSA-N 2 1 342.462 3.427 20 0 EGADMP CC[C@H](C)C[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000647245143 461584887 /nfs/dbraw/zinc/58/48/87/461584887.db2.gz REAAHDHBELQXGT-JXFKEZNVSA-N 2 1 336.495 3.219 20 0 EGADMP Brc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643031626 461593770 /nfs/dbraw/zinc/59/37/70/461593770.db2.gz TYUIHFRANYCTTE-NHYWBVRUSA-N 2 1 332.245 3.186 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(O)cc1 ZINC000666432267 461624418 /nfs/dbraw/zinc/62/44/18/461624418.db2.gz QWDAHAGBZCQBTF-TZIWHRDSSA-N 2 1 340.467 3.019 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(O)cc1 ZINC000666432267 461624426 /nfs/dbraw/zinc/62/44/26/461624426.db2.gz QWDAHAGBZCQBTF-TZIWHRDSSA-N 2 1 340.467 3.019 20 0 EGADMP Cc1cc(CO)cc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663449063 461645266 /nfs/dbraw/zinc/64/52/66/461645266.db2.gz AMXFBLLDYSSNQD-SFHVURJKSA-N 2 1 325.456 3.206 20 0 EGADMP Cc1cc(CO)cc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663449063 461645272 /nfs/dbraw/zinc/64/52/72/461645272.db2.gz AMXFBLLDYSSNQD-SFHVURJKSA-N 2 1 325.456 3.206 20 0 EGADMP C[NH+](C)CCOc1ccccc1CNc1[nH+]ccc2c(N)cccc21 ZINC000663476179 461664414 /nfs/dbraw/zinc/66/44/14/461664414.db2.gz YFZUISYRLRGNOQ-UHFFFAOYSA-N 2 1 336.439 3.370 20 0 EGADMP Cc1nc(C[N@@H+]2CCCN(c3[nH+]ccc4[nH]ccc43)CC2)cs1 ZINC000663560589 461703692 /nfs/dbraw/zinc/70/36/92/461703692.db2.gz WWDCJHWPERXZNA-UHFFFAOYSA-N 2 1 327.457 3.040 20 0 EGADMP Cc1nc(C[N@H+]2CCCN(c3[nH+]ccc4[nH]ccc43)CC2)cs1 ZINC000663560589 461703700 /nfs/dbraw/zinc/70/37/00/461703700.db2.gz WWDCJHWPERXZNA-UHFFFAOYSA-N 2 1 327.457 3.040 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@H+]1CCCC13CC[NH+](C)CC3)CC2 ZINC000639082330 461715451 /nfs/dbraw/zinc/71/54/51/461715451.db2.gz PPQPQOVBNIVISI-KRWDZBQOSA-N 2 1 330.472 3.251 20 0 EGADMP FC(F)(F)COc1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647483008 461730723 /nfs/dbraw/zinc/73/07/23/461730723.db2.gz QYFXDELCBDUXJQ-UHFFFAOYSA-N 2 1 328.378 3.344 20 0 EGADMP Cc1cc(CO)cc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[nH+]1 ZINC000663659821 461738975 /nfs/dbraw/zinc/73/89/75/461738975.db2.gz HXEGQZQTSFDLGC-CRAIPNDOSA-N 2 1 331.485 3.439 20 0 EGADMP Cc1cc(CO)cc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)[nH+]1 ZINC000663659821 461738981 /nfs/dbraw/zinc/73/89/81/461738981.db2.gz HXEGQZQTSFDLGC-CRAIPNDOSA-N 2 1 331.485 3.439 20 0 EGADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000643499155 461747044 /nfs/dbraw/zinc/74/70/44/461747044.db2.gz YQHWUMQKWXCEJJ-NVXWUHKLSA-N 2 1 338.467 3.424 20 0 EGADMP CC1([NH3+])CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000647530904 461750649 /nfs/dbraw/zinc/75/06/49/461750649.db2.gz ODJZVDJAFUYRCT-UHFFFAOYSA-N 2 1 347.466 3.248 20 0 EGADMP c1cn(Cc2ccccc2)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647543158 461756114 /nfs/dbraw/zinc/75/61/14/461756114.db2.gz IIPIQZFNMXVJAJ-UXHICEINSA-N 2 1 338.499 3.143 20 0 EGADMP CCn1nc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c2ccccc21 ZINC000647543348 461756785 /nfs/dbraw/zinc/75/67/85/461756785.db2.gz LOUYNGGRTDQLMV-SJORKVTESA-N 2 1 326.488 3.268 20 0 EGADMP c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543368 461757510 /nfs/dbraw/zinc/75/75/10/461757510.db2.gz LWIOYUUOJZUVKD-SFTDATJTSA-N 2 1 338.499 3.143 20 0 EGADMP Cc1ccccc1[C@H](CC(F)(F)F)NC[C@@H](O)C[N@H+](C)C(C)C ZINC000660422492 461768323 /nfs/dbraw/zinc/76/83/23/461768323.db2.gz GPXPJNNKYMCQIE-ZBFHGGJFSA-N 2 1 332.410 3.279 20 0 EGADMP C[C@H]1C[C@H](C)C[NH+](CCN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660447920 461785653 /nfs/dbraw/zinc/78/56/53/461785653.db2.gz KSYOGNQQWCWIFM-BLKABHOGSA-N 2 1 341.543 3.028 20 0 EGADMP Cc1cc(CO)cc(N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663778808 461802918 /nfs/dbraw/zinc/80/29/18/461802918.db2.gz IBJFZVHEKYOVDI-VQIMIIECSA-N 2 1 325.456 3.205 20 0 EGADMP Cc1cc(CO)cc(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663778808 461802919 /nfs/dbraw/zinc/80/29/19/461802919.db2.gz IBJFZVHEKYOVDI-VQIMIIECSA-N 2 1 325.456 3.205 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647789586 461835788 /nfs/dbraw/zinc/83/57/88/461835788.db2.gz HNIXATZITOBOFK-QTPAZIJBSA-N 3 1 341.543 3.396 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@@H](C)CN1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660533064 461836673 /nfs/dbraw/zinc/83/66/73/461836673.db2.gz BJSJGGHDZQBTEJ-AOIWGVFYSA-N 2 1 334.504 3.169 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000660533064 461836679 /nfs/dbraw/zinc/83/66/79/461836679.db2.gz BJSJGGHDZQBTEJ-AOIWGVFYSA-N 2 1 334.504 3.169 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000660533064 461836685 /nfs/dbraw/zinc/83/66/85/461836685.db2.gz BJSJGGHDZQBTEJ-AOIWGVFYSA-N 2 1 334.504 3.169 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@@H](C)C[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000660533064 461836692 /nfs/dbraw/zinc/83/66/92/461836692.db2.gz BJSJGGHDZQBTEJ-AOIWGVFYSA-N 2 1 334.504 3.169 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@@H](C)C[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660533064 461836702 /nfs/dbraw/zinc/83/67/02/461836702.db2.gz BJSJGGHDZQBTEJ-AOIWGVFYSA-N 2 1 334.504 3.169 20 0 EGADMP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)c1[nH+]ccc2[nH]ccc21 ZINC000663900641 461861343 /nfs/dbraw/zinc/86/13/43/461861343.db2.gz QFTLTRSEIPVTFJ-OALUTQOASA-N 2 1 336.439 3.071 20 0 EGADMP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)c1[nH+]ccc2[nH]ccc21 ZINC000663900641 461861347 /nfs/dbraw/zinc/86/13/47/461861347.db2.gz QFTLTRSEIPVTFJ-OALUTQOASA-N 2 1 336.439 3.071 20 0 EGADMP COc1cccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1F ZINC000666922878 461870856 /nfs/dbraw/zinc/87/08/56/461870856.db2.gz FXDDKLXYOPKZMG-FUHWJXTLSA-N 2 1 346.421 3.456 20 0 EGADMP CC[C@H]1C[N@@H+](CC2(COc3cccc(COC)c3)CCC2)CC[C@@H]1[NH3+] ZINC000647934876 461891709 /nfs/dbraw/zinc/89/17/09/461891709.db2.gz SZICLSGZNWCJCR-ICSRJNTNSA-N 2 1 346.515 3.441 20 0 EGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784085 461893680 /nfs/dbraw/zinc/89/36/80/461893680.db2.gz CLWNPTIISRQPTH-GOSISDBHSA-N 2 1 332.536 3.467 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1)c1ccccc1 ZINC000647938467 461896581 /nfs/dbraw/zinc/89/65/81/461896581.db2.gz NVOLAVSFTUHYLX-NBMJBFSESA-N 2 1 331.504 3.092 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1)c1ccccc1 ZINC000647938467 461896587 /nfs/dbraw/zinc/89/65/87/461896587.db2.gz NVOLAVSFTUHYLX-NBMJBFSESA-N 2 1 331.504 3.092 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000650705814 461898230 /nfs/dbraw/zinc/89/82/30/461898230.db2.gz XCUORRBQIUHDEW-UXLLHSPISA-N 2 1 342.405 3.424 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000650706222 461900535 /nfs/dbraw/zinc/90/05/35/461900535.db2.gz GQWHWLCBVLDFQY-OIISXLGYSA-N 2 1 342.405 3.424 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCCCCOc3ccccc3)C2)C1 ZINC000650707696 461900804 /nfs/dbraw/zinc/90/08/04/461900804.db2.gz KYLYLLAGWSORIN-ZVDOUQERSA-N 2 1 346.515 3.454 20 0 EGADMP C[C@H]1C[C@@H](C[N@H+]2CCc3sc(Br)cc3C2)CC[NH2+]1 ZINC000656791033 461901164 /nfs/dbraw/zinc/90/11/64/461901164.db2.gz CZJRHFZDXOSIFD-QWRGUYRKSA-N 2 1 329.307 3.257 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(F)cc4cccnc43)C2)C1 ZINC000650708063 461901308 /nfs/dbraw/zinc/90/13/08/461901308.db2.gz SQTFKPDSKGOGIS-LZQZEXGQSA-N 2 1 343.446 3.092 20 0 EGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cc(Cl)c3c(c1)OCCO3)C2 ZINC000660651782 461902590 /nfs/dbraw/zinc/90/25/90/461902590.db2.gz CHQMFRSHQYSJHQ-GOSISDBHSA-N 2 1 336.863 3.029 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2noc(-c3c(F)cccc3Cl)n2)C1 ZINC000647951802 461903736 /nfs/dbraw/zinc/90/37/36/461903736.db2.gz USNWZZVGAQFJGC-NSHDSACASA-N 2 1 338.814 3.090 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2noc(-c3c(F)cccc3Cl)n2)C1 ZINC000647951802 461903744 /nfs/dbraw/zinc/90/37/44/461903744.db2.gz USNWZZVGAQFJGC-NSHDSACASA-N 2 1 338.814 3.090 20 0 EGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1coc(-c3ccc(F)cc3)n1)C2 ZINC000660654973 461905033 /nfs/dbraw/zinc/90/50/33/461905033.db2.gz JRBOTDZRRMKCLU-IBGZPJMESA-N 2 1 329.419 3.398 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)[C@H]1CC[NH3+] ZINC000650711511 461905069 /nfs/dbraw/zinc/90/50/69/461905069.db2.gz WCGFXSBKUGYQAZ-UXPWSPDFSA-N 2 1 332.488 3.194 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c(SC)cc1OC ZINC000650711033 461905611 /nfs/dbraw/zinc/90/56/11/461905611.db2.gz GQYBNENENNOTAR-UKRRQHHQSA-N 2 1 338.517 3.375 20 0 EGADMP Clc1ccccc1Cn1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000666998154 461906220 /nfs/dbraw/zinc/90/62/20/461906220.db2.gz FJNMHQJHBIWFHS-QGZVFWFLSA-N 2 1 344.890 3.349 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)cc2)n1 ZINC000660657196 461907420 /nfs/dbraw/zinc/90/74/20/461907420.db2.gz OLVRCUSLIKQBGO-OAQYLSRUSA-N 2 1 338.499 3.407 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)cc2)n1 ZINC000660657196 461907422 /nfs/dbraw/zinc/90/74/22/461907422.db2.gz OLVRCUSLIKQBGO-OAQYLSRUSA-N 2 1 338.499 3.407 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)cc2)n1 ZINC000660657196 461907425 /nfs/dbraw/zinc/90/74/25/461907425.db2.gz OLVRCUSLIKQBGO-OAQYLSRUSA-N 2 1 338.499 3.407 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655370 461908415 /nfs/dbraw/zinc/90/84/15/461908415.db2.gz GWGXEJFUCUSMCG-LJQANCHMSA-N 2 1 347.528 3.155 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655370 461908419 /nfs/dbraw/zinc/90/84/19/461908419.db2.gz GWGXEJFUCUSMCG-LJQANCHMSA-N 2 1 347.528 3.155 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655370 461908424 /nfs/dbraw/zinc/90/84/24/461908424.db2.gz GWGXEJFUCUSMCG-LJQANCHMSA-N 2 1 347.528 3.155 20 0 EGADMP Cc1ccccc1-c1noc(C[N@H+](CCC[NH3+])CC2CCCC2)n1 ZINC000647966044 461911346 /nfs/dbraw/zinc/91/13/46/461911346.db2.gz APIWUNVESVQYIB-UHFFFAOYSA-N 2 1 328.460 3.386 20 0 EGADMP Cc1ccccc1-c1noc(C[N@@H+](CCC[NH3+])CC2CCCC2)n1 ZINC000647966044 461911352 /nfs/dbraw/zinc/91/13/52/461911352.db2.gz APIWUNVESVQYIB-UHFFFAOYSA-N 2 1 328.460 3.386 20 0 EGADMP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647975449 461916325 /nfs/dbraw/zinc/91/63/25/461916325.db2.gz AKPJGNRAYALCON-OTWHNJEPSA-N 2 1 343.515 3.140 20 0 EGADMP CC(C)Cc1ncc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650723823 461916516 /nfs/dbraw/zinc/91/65/16/461916516.db2.gz UOHVXIKXLTZZEH-OIISXLGYSA-N 2 1 337.533 3.202 20 0 EGADMP CC(C)N(C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647974937 461917598 /nfs/dbraw/zinc/91/75/98/461917598.db2.gz CEYWQMKKRMIIKG-RTBURBONSA-N 2 1 343.515 3.140 20 0 EGADMP COc1ccc(OCCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975891 461917838 /nfs/dbraw/zinc/91/78/38/461917838.db2.gz HHHWLLWQABMRNI-ROUUACIJSA-N 2 1 332.488 3.176 20 0 EGADMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000647976300 461918809 /nfs/dbraw/zinc/91/88/09/461918809.db2.gz MRZWJDVUHIKFNH-JKSUJKDBSA-N 2 1 349.906 3.380 20 0 EGADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647976146 461919531 /nfs/dbraw/zinc/91/95/31/461919531.db2.gz KSESALXSHUJWOS-FHWLQOOXSA-N 2 1 343.515 3.342 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1C ZINC000647976500 461919674 /nfs/dbraw/zinc/91/96/74/461919674.db2.gz POCYLLADVSFFJC-IPMKNSEASA-N 2 1 343.515 3.342 20 0 EGADMP Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C)c1C ZINC000647978331 461920890 /nfs/dbraw/zinc/92/08/90/461920890.db2.gz PZKOVXZSZGFEOH-IAGOWNOFSA-N 2 1 349.544 3.323 20 0 EGADMP c1ccc(C[NH2+]C2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)cc1 ZINC000660678980 461921408 /nfs/dbraw/zinc/92/14/08/461921408.db2.gz KVXAZPJDGGACRF-UHFFFAOYSA-N 2 1 336.479 3.418 20 0 EGADMP FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000647989979 461927133 /nfs/dbraw/zinc/92/71/33/461927133.db2.gz LSHLUVZETYHYMP-OAHLLOKOSA-N 2 1 344.425 3.319 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC2(CCC2)O1 ZINC000648074273 461971739 /nfs/dbraw/zinc/97/17/39/461971739.db2.gz JGKSCPDGMCJESG-SFHVURJKSA-N 2 1 344.499 3.305 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000644638086 462017731 /nfs/dbraw/zinc/01/77/31/462017731.db2.gz KPRUZBYBXXCBEM-FHWLQOOXSA-N 2 1 342.458 3.154 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000644638086 462017739 /nfs/dbraw/zinc/01/77/39/462017739.db2.gz KPRUZBYBXXCBEM-FHWLQOOXSA-N 2 1 342.458 3.154 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC[C@H]1CCc2ccccc21 ZINC000644655977 462025104 /nfs/dbraw/zinc/02/51/04/462025104.db2.gz CJMXEGVLNHDQHB-RTWAWAEBSA-N 2 1 338.495 3.189 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC[C@H]1CCc2ccccc21 ZINC000644655977 462025111 /nfs/dbraw/zinc/02/51/11/462025111.db2.gz CJMXEGVLNHDQHB-RTWAWAEBSA-N 2 1 338.495 3.189 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnc3n2CCC3)cc1 ZINC000657310714 462034158 /nfs/dbraw/zinc/03/41/58/462034158.db2.gz RPTOFJBVDDQUKX-KRWDZBQOSA-N 2 1 338.499 3.494 20 0 EGADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1C ZINC000657432059 462119289 /nfs/dbraw/zinc/11/92/89/462119289.db2.gz NSZAESPXXFSUMK-CEWLAPEOSA-N 2 1 338.499 3.119 20 0 EGADMP CCc1cccc2cc(C[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)oc21 ZINC000657458851 462136689 /nfs/dbraw/zinc/13/66/89/462136689.db2.gz QEMXJINTGPFYBG-UHFFFAOYSA-N 2 1 329.488 3.111 20 0 EGADMP OC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCCC1 ZINC000651228807 462146280 /nfs/dbraw/zinc/14/62/80/462146280.db2.gz DIQDHCMDVXHRRE-AQNXPRMDSA-N 2 1 328.500 3.324 20 0 EGADMP C[C@H](CCCc1cccnc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000651228798 462146952 /nfs/dbraw/zinc/14/69/52/462146952.db2.gz CIUGWIQDSOIGEK-YLJYHZDGSA-N 2 1 331.504 3.026 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccc(Br)cc1F ZINC000639922474 462174852 /nfs/dbraw/zinc/17/48/52/462174852.db2.gz YBAVIWLWARVRBS-UHFFFAOYSA-N 2 1 340.240 3.386 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccc(Br)cc1F ZINC000639922474 462174856 /nfs/dbraw/zinc/17/48/56/462174856.db2.gz YBAVIWLWARVRBS-UHFFFAOYSA-N 2 1 340.240 3.386 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(C)c1 ZINC000667706802 462223671 /nfs/dbraw/zinc/22/36/71/462223671.db2.gz ITCSEZZERRUEOK-HLAWJBBLSA-N 2 1 346.515 3.467 20 0 EGADMP CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(C)c1 ZINC000667707167 462225156 /nfs/dbraw/zinc/22/51/56/462225156.db2.gz RSWJCJVCLGFUIZ-YZGWKJHDSA-N 2 1 332.488 3.077 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(C)c1 ZINC000667706801 462225200 /nfs/dbraw/zinc/22/52/00/462225200.db2.gz ITCSEZZERRUEOK-CEWLAPEOSA-N 2 1 346.515 3.467 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667731261 462235652 /nfs/dbraw/zinc/23/56/52/462235652.db2.gz OPWNHNUDBWHNDE-KXBFYZLASA-N 2 1 338.455 3.102 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(C(F)F)nc1 ZINC000657926006 462320089 /nfs/dbraw/zinc/32/00/89/462320089.db2.gz QXTBAVQUSOOTQQ-AFAVFJNCSA-N 2 1 339.430 3.048 20 0 EGADMP CC(C)C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)cc1 ZINC000665292031 462388205 /nfs/dbraw/zinc/38/82/05/462388205.db2.gz QYVHKKKNIOLOAH-HNNXBMFYSA-N 2 1 334.851 3.171 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(CC)(CC)CC)CC2)CC1 ZINC000654830263 462395161 /nfs/dbraw/zinc/39/51/61/462395161.db2.gz YFNAEXQQKUSOEZ-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)N(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649064863 462396862 /nfs/dbraw/zinc/39/68/62/462396862.db2.gz CUXGNMHPSWOHSP-FQEVSTJZSA-N 2 1 345.531 3.230 20 0 EGADMP C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658211855 462431143 /nfs/dbraw/zinc/43/11/43/462431143.db2.gz HRCQWAAUWLFQFX-APWZRJJASA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658211855 462431144 /nfs/dbraw/zinc/43/11/44/462431144.db2.gz HRCQWAAUWLFQFX-APWZRJJASA-N 2 1 338.499 3.298 20 0 EGADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2c(C3CC3)cnn2C)CC1 ZINC000658212339 462431240 /nfs/dbraw/zinc/43/12/40/462431240.db2.gz HKXDYKPAOMSHKC-HNAYVOBHSA-N 2 1 330.520 3.430 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000649370745 462490086 /nfs/dbraw/zinc/49/00/86/462490086.db2.gz WNLRARPMYAXXCX-IBGZPJMESA-N 2 1 343.515 3.323 20 0 EGADMP COc1cc(CNc2ccc(N3CCN(C)CC3)cn2)ccc1Cl ZINC000623369128 480252789 /nfs/dbraw/zinc/25/27/89/480252789.db2.gz PHRZQDHWQSAOHR-UHFFFAOYSA-N 2 1 346.862 3.108 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000090184984 546653908 /nfs/dbraw/zinc/65/39/08/546653908.db2.gz SEKHAQZVARCMHW-PXNSSMCTSA-N 2 1 340.515 3.470 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)cc1 ZINC000093442357 546684690 /nfs/dbraw/zinc/68/46/90/546684690.db2.gz SUVHTJVITVKWAL-NRFANRHFSA-N 2 1 342.483 3.183 20 0 EGADMP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000121394973 546724829 /nfs/dbraw/zinc/72/48/29/546724829.db2.gz RHZUOFMBJQEYAA-ORAYPTAESA-N 2 1 336.426 3.043 20 0 EGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000130057711 546792680 /nfs/dbraw/zinc/79/26/80/546792680.db2.gz BRKONVKKFIMBTF-LJQANCHMSA-N 2 1 344.499 3.162 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000132887189 546816558 /nfs/dbraw/zinc/81/65/58/546816558.db2.gz DECLPXFJGVQEBE-UHFFFAOYSA-N 2 1 346.906 3.005 20 0 EGADMP Clc1cnc(NCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000166687727 546989713 /nfs/dbraw/zinc/98/97/13/546989713.db2.gz YUPJWLIOPZSBIG-CHWSQXEVSA-N 2 1 329.275 3.017 20 0 EGADMP CCc1cccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185660113 547121828 /nfs/dbraw/zinc/12/18/28/547121828.db2.gz ULDGPNJTMQJABX-AEFFLSMTSA-N 2 1 343.515 3.430 20 0 EGADMP CCc1cccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185660113 547121835 /nfs/dbraw/zinc/12/18/35/547121835.db2.gz ULDGPNJTMQJABX-AEFFLSMTSA-N 2 1 343.515 3.430 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)CC2 ZINC000280113149 547370089 /nfs/dbraw/zinc/37/00/89/547370089.db2.gz NSOQJXPXBKTCSI-QAPCUYQASA-N 2 1 332.488 3.401 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C)C[C@H]2c2ccccc2)CC1 ZINC000285758273 547389370 /nfs/dbraw/zinc/38/93/70/547389370.db2.gz RHSLUOKHHMJMEO-CTNGQTDRSA-N 2 1 329.532 3.486 20 0 EGADMP COCC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCOCC1 ZINC000293622018 547418831 /nfs/dbraw/zinc/41/88/31/547418831.db2.gz JTAMKLGYTBQBPI-INIZCTEOSA-N 2 1 343.471 3.275 20 0 EGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000339065825 547568271 /nfs/dbraw/zinc/56/82/71/547568271.db2.gz CPYVFKWFAXGZDB-UWVAXJGDSA-N 2 1 330.472 3.371 20 0 EGADMP FC(F)(F)COCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339070025 547568432 /nfs/dbraw/zinc/56/84/32/547568432.db2.gz VSTSKIKCBMYCOA-IRXDYDNUSA-N 2 1 342.405 3.482 20 0 EGADMP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339072184 547568520 /nfs/dbraw/zinc/56/85/20/547568520.db2.gz UATDODAKWUSSOA-SFTDATJTSA-N 3 1 327.516 3.389 20 0 EGADMP c1cc(C[NH+]2CCCCC2)ccc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339072184 547568526 /nfs/dbraw/zinc/56/85/26/547568526.db2.gz UATDODAKWUSSOA-SFTDATJTSA-N 2 1 327.516 3.389 20 0 EGADMP c1cc(C[NH+]2CCCCC2)ccc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339072184 547568530 /nfs/dbraw/zinc/56/85/30/547568530.db2.gz UATDODAKWUSSOA-SFTDATJTSA-N 2 1 327.516 3.389 20 0 EGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000361150924 547762120 /nfs/dbraw/zinc/76/21/20/547762120.db2.gz CKHUJWXRLXTFKU-LSWWBPAMSA-N 2 1 329.488 3.139 20 0 EGADMP CCc1nn(C)cc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000386505695 547824306 /nfs/dbraw/zinc/82/43/06/547824306.db2.gz ZQTLCHMDOHBZJV-LJQANCHMSA-N 2 1 340.515 3.374 20 0 EGADMP CCc1nn(C)cc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000386505695 547824312 /nfs/dbraw/zinc/82/43/12/547824312.db2.gz ZQTLCHMDOHBZJV-LJQANCHMSA-N 2 1 340.515 3.374 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000414294718 547855142 /nfs/dbraw/zinc/85/51/42/547855142.db2.gz DUYIDJVXMMIAIG-DDBAPUKQSA-N 2 1 338.442 3.178 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000414294718 547855147 /nfs/dbraw/zinc/85/51/47/547855147.db2.gz DUYIDJVXMMIAIG-DDBAPUKQSA-N 2 1 338.442 3.178 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2scnc2C2CC2)[C@@H](C)C1 ZINC000487273939 547972717 /nfs/dbraw/zinc/97/27/17/547972717.db2.gz NWEJDGGCZIFNQA-GOEBONIOSA-N 2 1 337.533 3.247 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2scnc2C2CC2)[C@@H](C)C1 ZINC000487273939 547972722 /nfs/dbraw/zinc/97/27/22/547972722.db2.gz NWEJDGGCZIFNQA-GOEBONIOSA-N 2 1 337.533 3.247 20 0 EGADMP CC/C=C\CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000671720286 548342245 /nfs/dbraw/zinc/34/22/45/548342245.db2.gz WPAUSVWEQCBXRD-YOXWTLATSA-N 2 1 327.516 3.235 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1c(F)cncc1F ZINC000671730655 548346182 /nfs/dbraw/zinc/34/61/82/548346182.db2.gz BMGYBIWGBFDLLH-CYBMUJFWSA-N 2 1 335.398 3.151 20 0 EGADMP COc1ccc(-c2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)on2)cc1 ZINC000675897561 549000103 /nfs/dbraw/zinc/00/01/03/549000103.db2.gz DLEYHRGOBWEAME-UZLBHIALSA-N 2 1 341.455 3.266 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)on2)cc1 ZINC000675897561 549000109 /nfs/dbraw/zinc/00/01/09/549000109.db2.gz DLEYHRGOBWEAME-UZLBHIALSA-N 2 1 341.455 3.266 20 0 EGADMP COc1ccc(-c2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)on2)cc1 ZINC000675897561 549000114 /nfs/dbraw/zinc/00/01/14/549000114.db2.gz DLEYHRGOBWEAME-UZLBHIALSA-N 2 1 341.455 3.266 20 0 EGADMP COc1ccc(-c2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)on2)cc1 ZINC000675897561 549000119 /nfs/dbraw/zinc/00/01/19/549000119.db2.gz DLEYHRGOBWEAME-UZLBHIALSA-N 2 1 341.455 3.266 20 0 EGADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000675937223 549008215 /nfs/dbraw/zinc/00/82/15/549008215.db2.gz UAALHJXJFLLDCJ-LMVRJCEZSA-N 3 1 343.559 3.463 20 0 EGADMP C[C@H]([NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000675937223 549008219 /nfs/dbraw/zinc/00/82/19/549008219.db2.gz UAALHJXJFLLDCJ-LMVRJCEZSA-N 2 1 343.559 3.463 20 0 EGADMP C/C(=C/c1ccccc1)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000678285797 549460079 /nfs/dbraw/zinc/46/00/79/549460079.db2.gz GOFHVVLBXXPPTN-GYBCBDBMSA-N 2 1 327.516 3.048 20 0 EGADMP CCc1cccnc1[C@H](C)[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000679577479 549738423 /nfs/dbraw/zinc/73/84/23/549738423.db2.gz QXKVQCDPTDWYEY-YJBOKZPZSA-N 2 1 339.487 3.370 20 0 EGADMP C[C@H]([NH2+]CCc1ccc(CO)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679625917 549742781 /nfs/dbraw/zinc/74/27/81/549742781.db2.gz HJSOYRRAMTYSST-PGRDOPGGSA-N 2 1 338.495 3.222 20 0 EGADMP Cc1cc(Cl)ccc1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681098755 549954212 /nfs/dbraw/zinc/95/42/12/549954212.db2.gz BYJQPKVBSRUXGY-LJQANCHMSA-N 2 1 335.923 3.249 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCOCC3(CCCC3)C2)cc1 ZINC000681497941 550005749 /nfs/dbraw/zinc/00/57/49/550005749.db2.gz VYGCMYOBKDWOBI-UHFFFAOYSA-N 2 1 332.488 3.020 20 0 EGADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000682086025 550071453 /nfs/dbraw/zinc/07/14/53/550071453.db2.gz BKNJTCGVTWLCJB-FVQBIDKESA-N 2 1 334.426 3.341 20 0 EGADMP C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000682408931 550095365 /nfs/dbraw/zinc/09/53/65/550095365.db2.gz DKUGEOMSTKUKCP-LQWHRVPQSA-N 2 1 346.515 3.143 20 0 EGADMP CCC[C@]1(COC)CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000683725405 550254972 /nfs/dbraw/zinc/25/49/72/550254972.db2.gz BSJJWSOYMJTTII-HXUWFJFHSA-N 2 1 334.504 3.408 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000685658027 550436903 /nfs/dbraw/zinc/43/69/03/550436903.db2.gz VLXHKLATWBIMEX-KRWDZBQOSA-N 2 1 335.511 3.151 20 0 EGADMP c1cc(N2CCCC2)nc(NC2CC[NH+](CC3CCCC3)CC2)[nH+]1 ZINC000733188798 575318582 /nfs/dbraw/zinc/31/85/82/575318582.db2.gz MRRCJYJHPYSCKS-UHFFFAOYSA-N 2 1 329.492 3.143 20 0 EGADMP Clc1ccc2[nH+]ccc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1 ZINC000734141022 575440886 /nfs/dbraw/zinc/44/08/86/575440886.db2.gz BLNDGGGZSCYJDT-INIZCTEOSA-N 2 1 345.874 3.365 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3cc(C)ccc23)C[C@H]1C ZINC000740883038 576633391 /nfs/dbraw/zinc/63/33/91/576633391.db2.gz MCHJOFJDCIXYOD-WBVHZDCISA-N 2 1 328.456 3.406 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3cc(C)ccc23)C[C@H]1C ZINC000740883038 576633394 /nfs/dbraw/zinc/63/33/94/576633394.db2.gz MCHJOFJDCIXYOD-WBVHZDCISA-N 2 1 328.456 3.406 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(=O)oc3cc(C)ccc23)C[C@H]1C ZINC000740883038 576633396 /nfs/dbraw/zinc/63/33/96/576633396.db2.gz MCHJOFJDCIXYOD-WBVHZDCISA-N 2 1 328.456 3.406 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(=O)oc3cc(C)ccc23)C[C@H]1C ZINC000740883038 576633399 /nfs/dbraw/zinc/63/33/99/576633399.db2.gz MCHJOFJDCIXYOD-WBVHZDCISA-N 2 1 328.456 3.406 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000693032615 1298148483 /nfs/dbraw/zinc/14/84/83/1298148483.db2.gz VQQHRCYBRGVJTO-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000693711362 1298150862 /nfs/dbraw/zinc/15/08/62/1298150862.db2.gz DYHSKTIHGWTOEY-BURNTYAHSA-N 2 1 341.543 3.265 20 0 EGADMP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000693711362 1298150866 /nfs/dbraw/zinc/15/08/66/1298150866.db2.gz DYHSKTIHGWTOEY-BURNTYAHSA-N 3 1 341.543 3.265 20 0 EGADMP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000693711362 1298150872 /nfs/dbraw/zinc/15/08/72/1298150872.db2.gz DYHSKTIHGWTOEY-BURNTYAHSA-N 3 1 341.543 3.265 20 0 EGADMP CC(C)N(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC000698101339 1298166823 /nfs/dbraw/zinc/16/68/23/1298166823.db2.gz WFJOLVUBWIQKBN-ALOPSCKCSA-N 2 1 339.524 3.237 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000895299376 1309276055 /nfs/dbraw/zinc/27/60/55/1309276055.db2.gz JJWIHWTZMJOAAH-INIZCTEOSA-N 2 1 328.504 3.286 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(F)cc3)c2)CCO1 ZINC000063524727 1292013906 /nfs/dbraw/zinc/01/39/06/1292013906.db2.gz RFCKAZMXPHYNBP-INIZCTEOSA-N 2 1 328.431 3.336 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(F)cc3)c2)CCO1 ZINC000063524727 1292013915 /nfs/dbraw/zinc/01/39/15/1292013915.db2.gz RFCKAZMXPHYNBP-INIZCTEOSA-N 2 1 328.431 3.336 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000067223221 1292153935 /nfs/dbraw/zinc/15/39/35/1292153935.db2.gz HVTPHMMFQNVCDH-CQSZACIVSA-N 2 1 328.403 3.118 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000073023739 1292301717 /nfs/dbraw/zinc/30/17/17/1292301717.db2.gz OMNHSBXOPDYZPF-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc(Cl)cc3)c2)CC1 ZINC000076400197 1292428110 /nfs/dbraw/zinc/42/81/10/1292428110.db2.gz VHMSFKCSTYXQEZ-UHFFFAOYSA-N 2 1 343.902 3.377 20 0 EGADMP COC(=O)N1CCC([NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000089156032 1292758552 /nfs/dbraw/zinc/75/85/52/1292758552.db2.gz HTZBWMWWHPJYBY-INIZCTEOSA-N 2 1 345.487 3.032 20 0 EGADMP Cn1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(-c2ccccc2)n1 ZINC000093063324 1292905230 /nfs/dbraw/zinc/90/52/30/1292905230.db2.gz CGRUKOIBJINCBA-UHFFFAOYSA-N 2 1 326.488 3.440 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000105457206 1293036429 /nfs/dbraw/zinc/03/64/29/1293036429.db2.gz GEGPICUDAOCYPA-CTNGQTDRSA-N 2 1 346.515 3.454 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000105457179 1293036741 /nfs/dbraw/zinc/03/67/41/1293036741.db2.gz JWIRONOKFVTESE-INIZCTEOSA-N 2 1 342.487 3.295 20 0 EGADMP CCn1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cn1 ZINC000112096445 1293117700 /nfs/dbraw/zinc/11/77/00/1293117700.db2.gz IJIQNFKLUTUCDD-QGZVFWFLSA-N 2 1 326.488 3.425 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)ccc2OC(F)F)C1 ZINC000112709886 1293131898 /nfs/dbraw/zinc/13/18/98/1293131898.db2.gz VKGSPDNZVJXGEB-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)ccc2OC(F)F)C1 ZINC000112709886 1293131903 /nfs/dbraw/zinc/13/19/03/1293131903.db2.gz VKGSPDNZVJXGEB-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP CC1([NH+]2CCC2)CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000834788353 1293149076 /nfs/dbraw/zinc/14/90/76/1293149076.db2.gz GVVAMEKTDOBMIV-XPQZIERPSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000834911467 1293174269 /nfs/dbraw/zinc/17/42/69/1293174269.db2.gz ZBDTUMXDOGUSGC-HNNXBMFYSA-N 2 1 331.460 3.168 20 0 EGADMP COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c(OC(F)F)c1 ZINC000114758870 1293176567 /nfs/dbraw/zinc/17/65/67/1293176567.db2.gz YZMYVEOHUSBUFQ-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2nc(C)cs2)cc1 ZINC000117383011 1293220999 /nfs/dbraw/zinc/22/09/99/1293220999.db2.gz JXOHWBGNRAMZPX-UHFFFAOYSA-N 2 1 333.501 3.462 20 0 EGADMP c1cnn(-c2ncccc2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000119248356 1293260945 /nfs/dbraw/zinc/26/09/45/1293260945.db2.gz MWWNNJVEHJOKFC-UHFFFAOYSA-N 2 1 347.466 3.022 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2CCSC2=S)CC1 ZINC000125479911 1293509097 /nfs/dbraw/zinc/50/90/97/1293509097.db2.gz SMNVLSGLGAOZEZ-HNNXBMFYSA-N 2 1 341.590 3.254 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2CCSC2=S)CC1 ZINC000125479911 1293509101 /nfs/dbraw/zinc/50/91/01/1293509101.db2.gz SMNVLSGLGAOZEZ-HNNXBMFYSA-N 2 1 341.590 3.254 20 0 EGADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1F ZINC000127793589 1293573726 /nfs/dbraw/zinc/57/37/26/1293573726.db2.gz WYOQCMQQQIUAHN-OAQYLSRUSA-N 2 1 342.458 3.156 20 0 EGADMP Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1 ZINC000131358382 1293687656 /nfs/dbraw/zinc/68/76/56/1293687656.db2.gz SWMZMRNQJOOFRU-MJGOQNOKSA-N 2 1 327.472 3.025 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(C)nc3)CC2)cs1 ZINC000155879442 1294117936 /nfs/dbraw/zinc/11/79/36/1294117936.db2.gz JSIFKHMYRZPNRA-UHFFFAOYSA-N 2 1 344.528 3.411 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3([NH+](C)C)CCC3)cc2)C1 ZINC000158728462 1294212809 /nfs/dbraw/zinc/21/28/09/1294212809.db2.gz VGNNPMYXZXNVJM-INIZCTEOSA-N 2 1 329.488 3.341 20 0 EGADMP CCn1nccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000160004050 1294254151 /nfs/dbraw/zinc/25/41/51/1294254151.db2.gz SQLSCQKDOVLGIZ-KRWDZBQOSA-N 2 1 326.488 3.425 20 0 EGADMP CCn1nccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000160004050 1294254157 /nfs/dbraw/zinc/25/41/57/1294254157.db2.gz SQLSCQKDOVLGIZ-KRWDZBQOSA-N 2 1 326.488 3.425 20 0 EGADMP Cc1nn(C)cc1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000160078284 1294256828 /nfs/dbraw/zinc/25/68/28/1294256828.db2.gz PGSPXEVIEVDVKR-MRXNPFEDSA-N 2 1 326.488 3.250 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192663433 1295787349 /nfs/dbraw/zinc/78/73/49/1295787349.db2.gz YYUGMPGGVGNFGI-LLVKDONJSA-N 2 1 335.275 3.318 20 0 EGADMP COCCN(C)CCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192663433 1295787360 /nfs/dbraw/zinc/78/73/60/1295787360.db2.gz YYUGMPGGVGNFGI-LLVKDONJSA-N 2 1 335.275 3.318 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)cc2)C1 ZINC000870866092 1296121499 /nfs/dbraw/zinc/12/14/99/1296121499.db2.gz MZPYCHCEMLCLBZ-NSISKUIASA-N 2 1 343.515 3.052 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000870907256 1296136022 /nfs/dbraw/zinc/13/60/22/1296136022.db2.gz JIFPUIKRXHFVNB-YTQUADARSA-N 2 1 335.536 3.007 20 0 EGADMP CC(C)[C@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000236697977 1296197185 /nfs/dbraw/zinc/19/71/85/1296197185.db2.gz YGPRKHTVDPSYAY-SJORKVTESA-N 2 1 339.524 3.096 20 0 EGADMP COc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc(Cl)c1OC ZINC000237110490 1296221216 /nfs/dbraw/zinc/22/12/16/1296221216.db2.gz MBKVMPOGEUKQDN-UHFFFAOYSA-N 2 1 326.868 3.320 20 0 EGADMP C[C@H](C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)C[NH+]1CCCC1 ZINC000237592379 1296251407 /nfs/dbraw/zinc/25/14/07/1296251407.db2.gz YJHAUORNIPIFPV-OAHLLOKOSA-N 2 1 332.879 3.347 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248584285 1296421241 /nfs/dbraw/zinc/42/12/41/1296421241.db2.gz PMJZVDIELTZMNA-ZUEVXXBESA-N 2 1 338.442 3.241 20 0 EGADMP Clc1cccc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)c1 ZINC000261614267 1296595979 /nfs/dbraw/zinc/59/59/79/1296595979.db2.gz FDTRDYRBLCLTHR-INIZCTEOSA-N 2 1 346.862 3.354 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cc(O)ccc3F)CC2)nc(C)[nH+]1 ZINC000872041703 1296691444 /nfs/dbraw/zinc/69/14/44/1296691444.db2.gz KGBOIUHNWWIVDJ-ZDUSSCGKSA-N 2 1 344.434 3.258 20 0 EGADMP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157389 1296777107 /nfs/dbraw/zinc/77/71/07/1296777107.db2.gz MZZMPYQKJRHLTB-MDZRGWNJSA-N 2 1 335.536 3.053 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC000302083066 1296797356 /nfs/dbraw/zinc/79/73/56/1296797356.db2.gz FAYYLYSHFSMHCI-SFHVURJKSA-N 2 1 347.503 3.143 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000305103723 1296978793 /nfs/dbraw/zinc/97/87/93/1296978793.db2.gz CEQOVRVNWSSKMQ-XFBWCDHKSA-N 2 1 331.287 3.347 20 0 EGADMP CC(C)n1cncc1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000310318850 1297091796 /nfs/dbraw/zinc/09/17/96/1297091796.db2.gz WAIHBGGNUFRRHH-FQEVSTJZSA-N 2 1 326.488 3.466 20 0 EGADMP CC(C)n1cncc1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000310318850 1297091812 /nfs/dbraw/zinc/09/18/12/1297091812.db2.gz WAIHBGGNUFRRHH-FQEVSTJZSA-N 2 1 326.488 3.466 20 0 EGADMP COc1cc(C)c(C[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1OC ZINC000873200594 1297345207 /nfs/dbraw/zinc/34/52/07/1297345207.db2.gz GSFXKVRHPKXWBW-UHFFFAOYSA-N 2 1 346.496 3.351 20 0 EGADMP COC(=O)c1coc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c1 ZINC000873232146 1297372268 /nfs/dbraw/zinc/37/22/68/1297372268.db2.gz LKRXJQZUIPHBDA-KSSFIOAISA-N 2 1 334.460 3.186 20 0 EGADMP C[C@@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)c1c[nH+]ccc1N ZINC000873241333 1297382298 /nfs/dbraw/zinc/38/22/98/1297382298.db2.gz GJXIZAMGTDBFCD-QGZVFWFLSA-N 3 1 338.499 3.447 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000873260190 1297394625 /nfs/dbraw/zinc/39/46/25/1297394625.db2.gz UTRAZIISIQOZGM-URZNZNTCSA-N 3 1 327.516 3.160 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000873260190 1297394636 /nfs/dbraw/zinc/39/46/36/1297394636.db2.gz UTRAZIISIQOZGM-URZNZNTCSA-N 3 1 327.516 3.160 20 0 EGADMP FC(F)[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291267 1297413002 /nfs/dbraw/zinc/41/30/02/1297413002.db2.gz IWKMLLQAMMRWNI-IAGOWNOFSA-N 2 1 338.442 3.001 20 0 EGADMP C[C@H](NC[C@H]1Cc2ccccc2C[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873292286 1297414139 /nfs/dbraw/zinc/41/41/39/1297414139.db2.gz AGGYDAZVGWZXKB-CDNPAEQRSA-N 2 1 349.522 3.201 20 0 EGADMP C[C@H]([NH2+]C[C@H]1Cc2ccccc2CN1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000873292286 1297414146 /nfs/dbraw/zinc/41/41/46/1297414146.db2.gz AGGYDAZVGWZXKB-CDNPAEQRSA-N 2 1 349.522 3.201 20 0 EGADMP C[C@H]([NH2+]C[C@H]1Cc2ccccc2CN1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873292286 1297414152 /nfs/dbraw/zinc/41/41/52/1297414152.db2.gz AGGYDAZVGWZXKB-CDNPAEQRSA-N 2 1 349.522 3.201 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc2c1OCO2 ZINC000708529805 1298240069 /nfs/dbraw/zinc/24/00/69/1298240069.db2.gz KUPXCEQCHALYSC-VQIMIIECSA-N 2 1 338.451 3.273 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc2c1OCO2 ZINC000708529805 1298240081 /nfs/dbraw/zinc/24/00/81/1298240081.db2.gz KUPXCEQCHALYSC-VQIMIIECSA-N 2 1 338.451 3.273 20 0 EGADMP [NH3+]CCCCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715050781 1298277323 /nfs/dbraw/zinc/27/73/23/1298277323.db2.gz LGBUEPAFXHGJEU-VQTJNVASSA-N 2 1 343.515 3.019 20 0 EGADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)C1([NH3+])CCCCC1 ZINC000719877432 1298322939 /nfs/dbraw/zinc/32/29/39/1298322939.db2.gz NZVFKFYYBRUCNZ-IBGZPJMESA-N 2 1 343.515 3.161 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720814056 1298329763 /nfs/dbraw/zinc/32/97/63/1298329763.db2.gz DLQKXGFFFMTJFI-BVJIBDCISA-N 2 1 328.500 3.444 20 0 EGADMP Cc1cc2ncn(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)c2cc1C ZINC000746381290 1298577457 /nfs/dbraw/zinc/57/74/57/1298577457.db2.gz GYTFHHOXRQJVEX-GOSISDBHSA-N 2 1 326.488 3.274 20 0 EGADMP Cc1cc2ncn(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)c2cc1C ZINC000746381290 1298577464 /nfs/dbraw/zinc/57/74/64/1298577464.db2.gz GYTFHHOXRQJVEX-GOSISDBHSA-N 2 1 326.488 3.274 20 0 EGADMP Cc1cc2ncn(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)c2cc1C ZINC000746381290 1298577472 /nfs/dbraw/zinc/57/74/72/1298577472.db2.gz GYTFHHOXRQJVEX-GOSISDBHSA-N 2 1 326.488 3.274 20 0 EGADMP Cc1cc2ncn(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)c2cc1C ZINC000746381290 1298577483 /nfs/dbraw/zinc/57/74/83/1298577483.db2.gz GYTFHHOXRQJVEX-GOSISDBHSA-N 2 1 326.488 3.274 20 0 EGADMP CSC(C)(C)CC[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000876883822 1299049257 /nfs/dbraw/zinc/04/92/57/1299049257.db2.gz CEDHJJGQELAYHR-OAHLLOKOSA-N 2 1 341.590 3.158 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000876963986 1299091982 /nfs/dbraw/zinc/09/19/82/1299091982.db2.gz OEUQNKZVKPPWDM-MRXNPFEDSA-N 2 1 339.524 3.003 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H]3CC3(Cl)Cl)CC2)oc1C ZINC000877008887 1299111365 /nfs/dbraw/zinc/11/13/65/1299111365.db2.gz RCLVXGIDNGNYCH-AWEZNQCLSA-N 2 1 346.302 3.287 20 0 EGADMP CC(C)O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000877031353 1299120962 /nfs/dbraw/zinc/12/09/62/1299120962.db2.gz QEISOMZJOXKXFJ-LEWJYISDSA-N 2 1 346.515 3.386 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000877137798 1299177268 /nfs/dbraw/zinc/17/72/68/1299177268.db2.gz CEDAZKJYDRBJFT-UHFFFAOYSA-N 2 1 331.460 3.385 20 0 EGADMP COc1cc(F)cc(OC)c1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000877495427 1299347026 /nfs/dbraw/zinc/34/70/26/1299347026.db2.gz CGQXRUGMWRERDZ-UHFFFAOYSA-N 2 1 336.451 3.151 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(OCc4ccccn4)cc3)CC[C@H]21 ZINC000877743746 1299522070 /nfs/dbraw/zinc/52/20/70/1299522070.db2.gz MMKZEBSTARHELV-GHTZIAJQSA-N 2 1 337.467 3.187 20 0 EGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(OCc4ccccn4)cc3)CC[C@H]21 ZINC000877743746 1299522077 /nfs/dbraw/zinc/52/20/77/1299522077.db2.gz MMKZEBSTARHELV-GHTZIAJQSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(OCc4ccccn4)cc3)CC[C@H]21 ZINC000877743746 1299522084 /nfs/dbraw/zinc/52/20/84/1299522084.db2.gz MMKZEBSTARHELV-GHTZIAJQSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(OCc4ccccn4)cc3)CC[C@H]21 ZINC000877743746 1299522090 /nfs/dbraw/zinc/52/20/90/1299522090.db2.gz MMKZEBSTARHELV-GHTZIAJQSA-N 2 1 337.467 3.187 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000755064271 1300278030 /nfs/dbraw/zinc/27/80/30/1300278030.db2.gz KKUZOBWNFKNNED-DLBZAZTESA-N 2 1 341.540 3.344 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000755064271 1300278042 /nfs/dbraw/zinc/27/80/42/1300278042.db2.gz KKUZOBWNFKNNED-DLBZAZTESA-N 2 1 341.540 3.344 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000756107221 1300439584 /nfs/dbraw/zinc/43/95/84/1300439584.db2.gz PMJHETNYCKUTSD-MRXNPFEDSA-N 2 1 348.491 3.249 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000756107221 1300439587 /nfs/dbraw/zinc/43/95/87/1300439587.db2.gz PMJHETNYCKUTSD-MRXNPFEDSA-N 2 1 348.491 3.249 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cccc4ccccc43)CC[C@@H]21 ZINC000879575427 1300611980 /nfs/dbraw/zinc/61/19/80/1300611980.db2.gz KUKYFOWWFWQRNM-XLIONFOSSA-N 2 1 337.467 3.194 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cccc4ccccc43)CC[C@@H]21 ZINC000879575427 1300611990 /nfs/dbraw/zinc/61/19/90/1300611990.db2.gz KUKYFOWWFWQRNM-XLIONFOSSA-N 2 1 337.467 3.194 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3cccc4ccccc43)CC[C@@H]21 ZINC000879575427 1300611995 /nfs/dbraw/zinc/61/19/95/1300611995.db2.gz KUKYFOWWFWQRNM-XLIONFOSSA-N 2 1 337.467 3.194 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3cccc4ccccc43)CC[C@@H]21 ZINC000879575427 1300612002 /nfs/dbraw/zinc/61/20/02/1300612002.db2.gz KUKYFOWWFWQRNM-XLIONFOSSA-N 2 1 337.467 3.194 20 0 EGADMP O[C@@H](C[N@H+](CCc1cccc(F)c1)C1CCCC1)C[NH+]1CCCC1 ZINC000757398055 1300670152 /nfs/dbraw/zinc/67/01/52/1300670152.db2.gz BHYWRWJIVOCYPH-HXUWFJFHSA-N 2 1 334.479 3.070 20 0 EGADMP O[C@@H](C[N@@H+](CCc1cccc(F)c1)C1CCCC1)C[NH+]1CCCC1 ZINC000757398055 1300670156 /nfs/dbraw/zinc/67/01/56/1300670156.db2.gz BHYWRWJIVOCYPH-HXUWFJFHSA-N 2 1 334.479 3.070 20 0 EGADMP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000760830154 1301345411 /nfs/dbraw/zinc/34/54/11/1301345411.db2.gz FTJRHMSLIPHZDX-IAGOWNOFSA-N 2 1 339.524 3.192 20 0 EGADMP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000760830154 1301345420 /nfs/dbraw/zinc/34/54/20/1301345420.db2.gz FTJRHMSLIPHZDX-IAGOWNOFSA-N 2 1 339.524 3.192 20 0 EGADMP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000760830154 1301345431 /nfs/dbraw/zinc/34/54/31/1301345431.db2.gz FTJRHMSLIPHZDX-IAGOWNOFSA-N 2 1 339.524 3.192 20 0 EGADMP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000760830154 1301345441 /nfs/dbraw/zinc/34/54/41/1301345441.db2.gz FTJRHMSLIPHZDX-IAGOWNOFSA-N 2 1 339.524 3.192 20 0 EGADMP COc1ccc2c(NCCC[N@H+]3CCCO[C@@H](C)C3)cc[nH+]c2c1 ZINC000763054333 1301813885 /nfs/dbraw/zinc/81/38/85/1301813885.db2.gz XHXWKZYLTNFMLJ-HNNXBMFYSA-N 2 1 329.444 3.156 20 0 EGADMP CC(C)c1ccc(C[C@H]2CC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000763961452 1301989752 /nfs/dbraw/zinc/98/97/52/1301989752.db2.gz FRGDLGIZSMSCKZ-CTNGQTDRSA-N 2 1 330.516 3.131 20 0 EGADMP COc1ccc2c(c1)[nH+]ccc2N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000765586060 1302285264 /nfs/dbraw/zinc/28/52/64/1302285264.db2.gz KONWVKMCHDSGMX-UHFFFAOYSA-N 2 1 334.423 3.273 20 0 EGADMP COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000765630821 1302293091 /nfs/dbraw/zinc/29/30/91/1302293091.db2.gz ODUZOGIBMGBTCP-PBHICJAKSA-N 2 1 342.443 3.062 20 0 EGADMP Cc1nc2c(s1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCC2 ZINC000765974374 1302360062 /nfs/dbraw/zinc/36/00/62/1302360062.db2.gz GPCNDYJESCLKLS-NVXWUHKLSA-N 2 1 335.517 3.062 20 0 EGADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000767500387 1302694751 /nfs/dbraw/zinc/69/47/51/1302694751.db2.gz HVXOEFJFSGIHSH-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000767500387 1302694760 /nfs/dbraw/zinc/69/47/60/1302694760.db2.gz HVXOEFJFSGIHSH-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000767500387 1302694770 /nfs/dbraw/zinc/69/47/70/1302694770.db2.gz HVXOEFJFSGIHSH-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]([NH3+])CC2CC2)c1 ZINC000884193551 1302768549 /nfs/dbraw/zinc/76/85/49/1302768549.db2.gz IPOGPONIWZCGKL-KRWDZBQOSA-N 2 1 326.444 3.121 20 0 EGADMP CC[N@@H+](CCC[NH2+][C@H]1CCOC2(CCOCC2)C1)C1CCCCC1 ZINC000886154053 1303376467 /nfs/dbraw/zinc/37/64/67/1303376467.db2.gz XZRHIVCQGNOJPJ-SFHVURJKSA-N 2 1 338.536 3.349 20 0 EGADMP CC(=O)Oc1ccc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cc1 ZINC000886664182 1303545229 /nfs/dbraw/zinc/54/52/29/1303545229.db2.gz DZRRPRWGLIBRNZ-UHFFFAOYSA-N 2 1 327.428 3.331 20 0 EGADMP CCN(C(=O)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1)C1CCCCC1 ZINC000886672685 1303551052 /nfs/dbraw/zinc/55/10/52/1303551052.db2.gz TTWZIHVNXMWYFJ-UHFFFAOYSA-N 2 1 346.519 3.387 20 0 EGADMP c1ccc2c(c1)NCCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000774189499 1303784614 /nfs/dbraw/zinc/78/46/14/1303784614.db2.gz YFOKMTDZGGCOER-PXNSSMCTSA-N 2 1 329.488 3.166 20 0 EGADMP c1ccc2c(c1)NCCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000774189497 1303784953 /nfs/dbraw/zinc/78/49/53/1303784953.db2.gz YFOKMTDZGGCOER-FXAWDEMLSA-N 2 1 329.488 3.166 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000775375999 1303948288 /nfs/dbraw/zinc/94/82/88/1303948288.db2.gz QYQWGPPSPOWLGC-ZHCJQAHYSA-N 2 1 328.591 3.324 20 0 EGADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2nccn2C)ccc1OC ZINC000775381013 1303951191 /nfs/dbraw/zinc/95/11/91/1303951191.db2.gz PRLIVXPXISTHAY-HNNXBMFYSA-N 2 1 330.476 3.121 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H](O)c1c(F)cccc1Cl ZINC000775411676 1303960595 /nfs/dbraw/zinc/96/05/95/1303960595.db2.gz HBYXSELEDXAUQB-KPZWWZAWSA-N 2 1 340.870 3.365 20 0 EGADMP CC(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000781421352 1304824932 /nfs/dbraw/zinc/82/49/32/1304824932.db2.gz PVXOLJAHFUVQCT-XSDIEEQYSA-N 2 1 330.516 3.284 20 0 EGADMP CCc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH]n1 ZINC000781422961 1304826353 /nfs/dbraw/zinc/82/63/53/1304826353.db2.gz NVFOZCCUWBVPKI-JRGCBEDISA-N 2 1 338.499 3.362 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC000782190010 1304928363 /nfs/dbraw/zinc/92/83/63/1304928363.db2.gz SUMONFMWHSIJGN-UHFFFAOYSA-N 2 1 341.540 3.342 20 0 EGADMP COCCOC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000892581636 1305452133 /nfs/dbraw/zinc/45/21/33/1305452133.db2.gz ZVJZBGSDZDOLGA-QZTJIDSGSA-N 2 1 334.504 3.202 20 0 EGADMP COc1ccc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000787303091 1305729420 /nfs/dbraw/zinc/72/94/20/1305729420.db2.gz QQAAFTOGSGHKHS-LFUKPOHLSA-N 2 1 339.483 3.336 20 0 EGADMP COc1ccc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000787303091 1305729427 /nfs/dbraw/zinc/72/94/27/1305729427.db2.gz QQAAFTOGSGHKHS-LFUKPOHLSA-N 2 1 339.483 3.336 20 0 EGADMP c1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2c(c1)CCCN2 ZINC000894093730 1306214405 /nfs/dbraw/zinc/21/44/05/1306214405.db2.gz HNLAUKYGFDTAHI-PXNSSMCTSA-N 2 1 325.500 3.493 20 0 EGADMP c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2c(c1)CCCN2 ZINC000894093730 1306214409 /nfs/dbraw/zinc/21/44/09/1306214409.db2.gz HNLAUKYGFDTAHI-PXNSSMCTSA-N 2 1 325.500 3.493 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc3oc(=O)oc3c2)cc1 ZINC000894766207 1309058958 /nfs/dbraw/zinc/05/89/58/1309058958.db2.gz MZLDROZPXBLAQV-UHFFFAOYSA-N 2 1 326.396 3.080 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C/C=C/c3cccc(F)c3)CC2)CC1 ZINC000895034897 1309165950 /nfs/dbraw/zinc/16/59/50/1309165950.db2.gz YVNHDNOZTZSCMS-QPJJXVBHSA-N 2 1 345.506 3.331 20 0 EGADMP Cc1cc([C@@H](C)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793565360 1309405709 /nfs/dbraw/zinc/40/57/09/1309405709.db2.gz KBJDWMZYYDAVOY-XLIONFOSSA-N 2 1 326.488 3.291 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793565360 1309405716 /nfs/dbraw/zinc/40/57/16/1309405716.db2.gz KBJDWMZYYDAVOY-XLIONFOSSA-N 2 1 326.488 3.291 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CC2CCC3(CC2)OCCO3)c1 ZINC000795926531 1309863224 /nfs/dbraw/zinc/86/32/24/1309863224.db2.gz HLOQDUTVRDOOHX-UHFFFAOYSA-N 2 1 332.488 3.161 20 0 EGADMP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH+]3C(C)(C)C)c2C1 ZINC000897099484 1310179142 /nfs/dbraw/zinc/17/91/42/1310179142.db2.gz RKECTTOIPJTOFW-SFHVURJKSA-N 2 1 329.488 3.470 20 0 EGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH+]3C(C)(C)C)c2C1 ZINC000897099484 1310179147 /nfs/dbraw/zinc/17/91/47/1310179147.db2.gz RKECTTOIPJTOFW-SFHVURJKSA-N 2 1 329.488 3.470 20 0 EGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)c2C1 ZINC000897099484 1310179153 /nfs/dbraw/zinc/17/91/53/1310179153.db2.gz RKECTTOIPJTOFW-SFHVURJKSA-N 2 1 329.488 3.470 20 0 EGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3CC[N@H+]3C(C)(C)C)c2C1 ZINC000897099484 1310179157 /nfs/dbraw/zinc/17/91/57/1310179157.db2.gz RKECTTOIPJTOFW-SFHVURJKSA-N 2 1 329.488 3.470 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnn(Cc4ccccc4)c3)C2)CC1 ZINC000798957192 1310464050 /nfs/dbraw/zinc/46/40/50/1310464050.db2.gz YQHNKTKLSFSZMK-UHFFFAOYSA-N 2 1 338.499 3.239 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(CCO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000898170648 1310611642 /nfs/dbraw/zinc/61/16/42/1310611642.db2.gz JBVDZAVGEXWFEP-PGRDOPGGSA-N 2 1 338.495 3.364 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(CCO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000898170648 1310611646 /nfs/dbraw/zinc/61/16/46/1310611646.db2.gz JBVDZAVGEXWFEP-PGRDOPGGSA-N 2 1 338.495 3.364 20 0 EGADMP CN(C)c1cc[nH+]c(N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000800882378 1310826165 /nfs/dbraw/zinc/82/61/65/1310826165.db2.gz BDOJWADGYGRUTM-KRWDZBQOSA-N 2 1 339.487 3.255 20 0 EGADMP CN(C)c1cc[nH+]c(N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000800882378 1310826167 /nfs/dbraw/zinc/82/61/67/1310826167.db2.gz BDOJWADGYGRUTM-KRWDZBQOSA-N 2 1 339.487 3.255 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCCC[C@@H]2C2OCCO2)c1 ZINC000839480677 1320927430 /nfs/dbraw/zinc/92/74/30/1320927430.db2.gz LNRJGWYHPRHOCF-HXUWFJFHSA-N 2 1 344.499 3.400 20 0 EGADMP CN(CCC[NH+]1CCCC1)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857222472 1328524949 /nfs/dbraw/zinc/52/49/49/1328524949.db2.gz STCVGSDJPOMNBI-FQEVSTJZSA-N 2 1 343.515 3.054 20 0 EGADMP CCCN(C(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000857295444 1328526655 /nfs/dbraw/zinc/52/66/55/1328526655.db2.gz PITRCSLQIJOOLO-VQTJNVASSA-N 2 1 343.515 3.052 20 0 EGADMP CCCN(C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)[C@@H]1CC[NH+](C)C1 ZINC000857295444 1328526658 /nfs/dbraw/zinc/52/66/58/1328526658.db2.gz PITRCSLQIJOOLO-VQTJNVASSA-N 2 1 343.515 3.052 20 0 EGADMP CCCN(C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[C@@H]1CC[NH+](C)C1 ZINC000857295444 1328526661 /nfs/dbraw/zinc/52/66/61/1328526661.db2.gz PITRCSLQIJOOLO-VQTJNVASSA-N 2 1 343.515 3.052 20 0 EGADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC000929451881 1328600893 /nfs/dbraw/zinc/60/08/93/1328600893.db2.gz SHKWRSNTUUAPMU-LJQANCHMSA-N 2 1 331.504 3.017 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)c1cccc(Cl)c1 ZINC001019259631 1317132606 /nfs/dbraw/zinc/13/26/06/1317132606.db2.gz UUQLSCUKFQECST-JLSDUUJJSA-N 2 1 349.906 3.076 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000957551993 1317447735 /nfs/dbraw/zinc/44/77/35/1317447735.db2.gz CZLLXMPMKJQIIG-IPMKNSEASA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC1CCCCC1)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000957691053 1317558765 /nfs/dbraw/zinc/55/87/65/1317558765.db2.gz ZLMHPOUMYAXFON-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC1CCCCC1)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000957691053 1317558768 /nfs/dbraw/zinc/55/87/68/1317558768.db2.gz ZLMHPOUMYAXFON-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020143776 1317559120 /nfs/dbraw/zinc/55/91/20/1317559120.db2.gz DXEJZOFXVPRVCL-FHWLQOOXSA-N 2 1 335.536 3.066 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001020144083 1317559357 /nfs/dbraw/zinc/55/93/57/1317559357.db2.gz PUYJDZGAIZMPFA-VBSBHUPXSA-N 2 1 343.515 3.166 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001020144032 1317559612 /nfs/dbraw/zinc/55/96/12/1317559612.db2.gz OJDVPHQNXCARKU-VAMGGRTRSA-N 2 1 349.563 3.457 20 0 EGADMP C[C@@]1(CN[C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000902384675 1317571540 /nfs/dbraw/zinc/57/15/40/1317571540.db2.gz UNTKLSZPKFUZNX-CTNGQTDRSA-N 2 1 329.532 3.266 20 0 EGADMP C[C@@]1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000902384675 1317571545 /nfs/dbraw/zinc/57/15/45/1317571545.db2.gz UNTKLSZPKFUZNX-CTNGQTDRSA-N 3 1 329.532 3.266 20 0 EGADMP C[C@@]1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000902384675 1317571552 /nfs/dbraw/zinc/57/15/52/1317571552.db2.gz UNTKLSZPKFUZNX-CTNGQTDRSA-N 3 1 329.532 3.266 20 0 EGADMP COc1cccc(-c2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)on2)c1 ZINC000902453217 1317580946 /nfs/dbraw/zinc/58/09/46/1317580946.db2.gz NTBXTKDHQOKYTP-IPMKNSEASA-N 2 1 341.455 3.361 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001020238900 1317603712 /nfs/dbraw/zinc/60/37/12/1317603712.db2.gz HMUHJEMCLBPGQO-GUDVDZBRSA-N 2 1 347.547 3.066 20 0 EGADMP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000902789612 1317616809 /nfs/dbraw/zinc/61/68/09/1317616809.db2.gz LJCIHLGJBLESHS-PCCBWWKXSA-N 2 1 330.516 3.488 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001020302733 1317636250 /nfs/dbraw/zinc/63/62/50/1317636250.db2.gz QSPYOKIMTBKVPB-JPLJXNOCSA-N 2 1 343.515 3.086 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[NH+](CCC2=CCCCC2)CC1)[NH+]1CCCC1 ZINC000957782796 1317644103 /nfs/dbraw/zinc/64/41/03/1317644103.db2.gz UDARLJDWMMWLRO-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903092456 1317650064 /nfs/dbraw/zinc/65/00/64/1317650064.db2.gz JXMHOQOUVGQCGR-NXCDMZCRSA-N 2 1 349.519 3.133 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001020339525 1317651924 /nfs/dbraw/zinc/65/19/24/1317651924.db2.gz SKBRZSISVGHQNK-LEAZDLGRSA-N 2 1 343.515 3.105 20 0 EGADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903099219 1317653624 /nfs/dbraw/zinc/65/36/24/1317653624.db2.gz ZCAVMDKMXVYGRW-DUZACMNTSA-N 2 1 349.519 3.133 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]1O)CC2 ZINC000903118347 1317657317 /nfs/dbraw/zinc/65/73/17/1317657317.db2.gz OAVQUSVAQBQSAH-ONUIULTDSA-N 2 1 328.500 3.052 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C2 ZINC000903119491 1317657562 /nfs/dbraw/zinc/65/75/62/1317657562.db2.gz SGWACXNNKADCJH-LRMKFPBYSA-N 2 1 336.907 3.470 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903150677 1317663747 /nfs/dbraw/zinc/66/37/47/1317663747.db2.gz AAVZCCPECBWSBH-FJXZYEQHSA-N 2 1 339.527 3.254 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903150677 1317663755 /nfs/dbraw/zinc/66/37/55/1317663755.db2.gz AAVZCCPECBWSBH-FJXZYEQHSA-N 2 1 339.527 3.254 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903150677 1317663764 /nfs/dbraw/zinc/66/37/64/1317663764.db2.gz AAVZCCPECBWSBH-FJXZYEQHSA-N 2 1 339.527 3.254 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903150677 1317663767 /nfs/dbraw/zinc/66/37/67/1317663767.db2.gz AAVZCCPECBWSBH-FJXZYEQHSA-N 2 1 339.527 3.254 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903150677 1317663775 /nfs/dbraw/zinc/66/37/75/1317663775.db2.gz AAVZCCPECBWSBH-FJXZYEQHSA-N 2 1 339.527 3.254 20 0 EGADMP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H](O)c1ccccc1 ZINC000903159421 1317665006 /nfs/dbraw/zinc/66/50/06/1317665006.db2.gz OOPJDQQMDOXEAW-QQFYDIPVSA-N 2 1 328.500 3.492 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1OCCc2sccc21 ZINC000903174502 1317668470 /nfs/dbraw/zinc/66/84/70/1317668470.db2.gz KLRJYDHLIROOHY-NTLLXGQKSA-N 2 1 332.513 3.498 20 0 EGADMP Fc1ccccc1N1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903175186 1317668669 /nfs/dbraw/zinc/66/86/69/1317668669.db2.gz RFZPESPPOZWPCG-WELJNPPOSA-N 2 1 343.490 3.399 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000903214331 1317675309 /nfs/dbraw/zinc/67/53/09/1317675309.db2.gz YGUWSDZKZGIJHG-BPZRQAJTSA-N 2 1 327.428 3.342 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CCO)cc1 ZINC000903396189 1317695537 /nfs/dbraw/zinc/69/55/37/1317695537.db2.gz KJTVVJGJPMLSDN-PGRDOPGGSA-N 2 1 338.495 3.222 20 0 EGADMP C[C@H](c1cccc(Cl)c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903507425 1317706570 /nfs/dbraw/zinc/70/65/70/1317706570.db2.gz ZFEVNNJDAHYEKS-ZMYBRWDISA-N 2 1 333.907 3.302 20 0 EGADMP CC[C@@H](c1ccc(F)cc1F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903508784 1317706732 /nfs/dbraw/zinc/70/67/32/1317706732.db2.gz VGVVHPDOMYVNLX-QKLQHJQFSA-N 2 1 349.469 3.317 20 0 EGADMP CCOc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903717898 1317724709 /nfs/dbraw/zinc/72/47/09/1317724709.db2.gz FOAQPEAADMZYSC-PMACEKPBSA-N 2 1 344.499 3.381 20 0 EGADMP Cc1ccccc1C[C@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729071 1317725538 /nfs/dbraw/zinc/72/55/38/1317725538.db2.gz JKFWFLFODOGECS-UXHICEINSA-N 2 1 328.500 3.161 20 0 EGADMP C[C@@H]1C[C@H](N(C)C[C@H]2CCCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000903739131 1317728710 /nfs/dbraw/zinc/72/87/10/1317728710.db2.gz CRJADZKHFJFRON-HLAWJBBLSA-N 2 1 329.532 3.361 20 0 EGADMP Fc1ccc([C@@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1Cl ZINC000903891114 1317742959 /nfs/dbraw/zinc/74/29/59/1317742959.db2.gz JXTRKEMEBKGHQS-BDCDKBNASA-N 2 1 338.854 3.383 20 0 EGADMP Fc1ccc([C@@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1Cl ZINC000903891114 1317742965 /nfs/dbraw/zinc/74/29/65/1317742965.db2.gz JXTRKEMEBKGHQS-BDCDKBNASA-N 2 1 338.854 3.383 20 0 EGADMP c1ccc(C[C@@H]2CC[C@@H]([NH2+][C@H]3C[NH2+]CC4(CCOCC4)C3)C2)cc1 ZINC000903970314 1317758692 /nfs/dbraw/zinc/75/86/92/1317758692.db2.gz UXCVGFLQSCXHRV-XUVXKRRUSA-N 2 1 328.500 3.146 20 0 EGADMP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903974319 1317759413 /nfs/dbraw/zinc/75/94/13/1317759413.db2.gz UDUXJDFWWBOCKN-UFYCRDLUSA-N 2 1 328.500 3.146 20 0 EGADMP Cc1cc(Cl)ccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903980305 1317760806 /nfs/dbraw/zinc/76/08/06/1317760806.db2.gz OJMFQJREEOAROS-KDURUIRLSA-N 2 1 333.907 3.049 20 0 EGADMP C[NH+](C)CCOc1ccc(-c2noc(C[N@@H+](C)CC(C)(C)C)n2)cc1 ZINC000903983698 1317762025 /nfs/dbraw/zinc/76/20/25/1317762025.db2.gz NPVRYFNVSGYYFF-UHFFFAOYSA-N 2 1 346.475 3.155 20 0 EGADMP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@]1(C)CCC[NH2+]C1 ZINC000904311429 1317828018 /nfs/dbraw/zinc/82/80/18/1317828018.db2.gz BGPCXPDHUWRMOP-HXUWFJFHSA-N 2 1 326.488 3.331 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000809605538 1317842898 /nfs/dbraw/zinc/84/28/98/1317842898.db2.gz DOJASQAYSZXHFH-KLAILNCOSA-N 2 1 339.524 3.144 20 0 EGADMP CC(C)([NH3+])c1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000904604324 1317868612 /nfs/dbraw/zinc/86/86/12/1317868612.db2.gz PRYFUYGSKUYLPN-MRXNPFEDSA-N 2 1 344.503 3.124 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809750216 1317889673 /nfs/dbraw/zinc/88/96/73/1317889673.db2.gz QXUQOTJVMZQRHO-UHFFFAOYSA-N 2 1 341.540 3.297 20 0 EGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000810162760 1317966877 /nfs/dbraw/zinc/96/68/77/1317966877.db2.gz CEGVIYBUZPQQSH-MRXNPFEDSA-N 2 1 341.540 3.344 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000810162760 1317966884 /nfs/dbraw/zinc/96/68/84/1317966884.db2.gz CEGVIYBUZPQQSH-MRXNPFEDSA-N 2 1 341.540 3.344 20 0 EGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000810181194 1317970723 /nfs/dbraw/zinc/97/07/23/1317970723.db2.gz WOWZCDCEOKSUCU-INIZCTEOSA-N 2 1 341.540 3.344 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000810181194 1317970730 /nfs/dbraw/zinc/97/07/30/1317970730.db2.gz WOWZCDCEOKSUCU-INIZCTEOSA-N 2 1 341.540 3.344 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001021093099 1318080291 /nfs/dbraw/zinc/08/02/91/1318080291.db2.gz ZSRYLULUNJPMMG-GUDVDZBRSA-N 2 1 347.547 3.068 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000906673077 1318136184 /nfs/dbraw/zinc/13/61/84/1318136184.db2.gz PQHTVRBZVGNIFR-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000906673077 1318136192 /nfs/dbraw/zinc/13/61/92/1318136192.db2.gz PQHTVRBZVGNIFR-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000906673077 1318136193 /nfs/dbraw/zinc/13/61/93/1318136193.db2.gz PQHTVRBZVGNIFR-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001021282282 1318170665 /nfs/dbraw/zinc/17/06/65/1318170665.db2.gz VFSPGBRTSDVKIM-YGFFAISXSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001021282282 1318170674 /nfs/dbraw/zinc/17/06/74/1318170674.db2.gz VFSPGBRTSDVKIM-YGFFAISXSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001021282282 1318170676 /nfs/dbraw/zinc/17/06/76/1318170676.db2.gz VFSPGBRTSDVKIM-YGFFAISXSA-N 2 1 347.547 3.161 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001021303473 1318178538 /nfs/dbraw/zinc/17/85/38/1318178538.db2.gz XIALBQZJFNUWJR-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001021303473 1318178540 /nfs/dbraw/zinc/17/85/40/1318178540.db2.gz XIALBQZJFNUWJR-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001021303473 1318178541 /nfs/dbraw/zinc/17/85/41/1318178541.db2.gz XIALBQZJFNUWJR-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001021306321 1318180406 /nfs/dbraw/zinc/18/04/06/1318180406.db2.gz DJZLPCYVAJKALB-NXEWRWPSSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001021306321 1318180410 /nfs/dbraw/zinc/18/04/10/1318180410.db2.gz DJZLPCYVAJKALB-NXEWRWPSSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001021306321 1318180413 /nfs/dbraw/zinc/18/04/13/1318180413.db2.gz DJZLPCYVAJKALB-NXEWRWPSSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000960130416 1318371960 /nfs/dbraw/zinc/37/19/60/1318371960.db2.gz GWCJDMGOEDQJGM-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CCCC[C@H]2C[NH2+]CC2=CCCCC2)C1 ZINC000960132309 1318373741 /nfs/dbraw/zinc/37/37/41/1318373741.db2.gz VVXPPAMCKDAFAG-IBGZPJMESA-N 2 1 347.547 3.189 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000812505502 1318403170 /nfs/dbraw/zinc/40/31/70/1318403170.db2.gz CNTMPYNLJYBIHQ-QGZVFWFLSA-N 2 1 348.535 3.010 20 0 EGADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000909598625 1318498426 /nfs/dbraw/zinc/49/84/26/1318498426.db2.gz SGDUQHCFBKDWBT-UHFFFAOYSA-N 2 1 339.483 3.170 20 0 EGADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000909605427 1318500223 /nfs/dbraw/zinc/50/02/23/1318500223.db2.gz FMXWVLJAYUHDSK-IBGZPJMESA-N 2 1 329.488 3.402 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000910280066 1318593841 /nfs/dbraw/zinc/59/38/41/1318593841.db2.gz OXQBVWAFNLMBIE-KRWDZBQOSA-N 2 1 331.504 3.085 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000858491130 1328778381 /nfs/dbraw/zinc/77/83/81/1328778381.db2.gz YSPYKVCYNWJNMZ-OAGGEKHMSA-N 2 1 346.462 3.065 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](CC)CC[C@H]32)o1 ZINC001021741974 1318653299 /nfs/dbraw/zinc/65/32/99/1318653299.db2.gz BDANEMDETHTRMA-SJLPKXTDSA-N 2 1 347.503 3.068 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1=CCCCC1 ZINC000960630023 1318755228 /nfs/dbraw/zinc/75/52/28/1318755228.db2.gz VCPKRZVJTDUSMK-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1=CCCCC1 ZINC000960630023 1318755236 /nfs/dbraw/zinc/75/52/36/1318755236.db2.gz VCPKRZVJTDUSMK-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000960630023 1318755240 /nfs/dbraw/zinc/75/52/40/1318755240.db2.gz VCPKRZVJTDUSMK-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC000960664726 1318781116 /nfs/dbraw/zinc/78/11/16/1318781116.db2.gz KRVYSTYWCORMBU-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCC1 ZINC000960664726 1318781122 /nfs/dbraw/zinc/78/11/22/1318781122.db2.gz KRVYSTYWCORMBU-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCC1 ZINC000960664726 1318781130 /nfs/dbraw/zinc/78/11/30/1318781130.db2.gz KRVYSTYWCORMBU-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[N@H+](C)CC2CCCCCC2)CCC1 ZINC000960675995 1318787395 /nfs/dbraw/zinc/78/73/95/1318787395.db2.gz BOSCBAPWZAUASR-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CC1CCC1)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000960685805 1318791912 /nfs/dbraw/zinc/79/19/12/1318791912.db2.gz WFYXYYQEHNJJQQ-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CCC1)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000960685805 1318791916 /nfs/dbraw/zinc/79/19/16/1318791916.db2.gz WFYXYYQEHNJJQQ-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CCC1)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000960685805 1318791921 /nfs/dbraw/zinc/79/19/21/1318791921.db2.gz WFYXYYQEHNJJQQ-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP Cc1ccccc1C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC000960689479 1318794021 /nfs/dbraw/zinc/79/40/21/1318794021.db2.gz PSSRIYJPKSTXKB-UXHICEINSA-N 2 1 345.531 3.004 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1c(C)cccc1C)[NH+](C)C ZINC000960718648 1318826890 /nfs/dbraw/zinc/82/68/90/1318826890.db2.gz PRPZJOFZYUACOU-AZUAARDMSA-N 2 1 345.531 3.066 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC(C)CC3)C2)C1 ZINC001022196296 1318837379 /nfs/dbraw/zinc/83/73/79/1318837379.db2.gz NOPLOBDTWVLAMB-RNUBBMKBSA-N 2 1 349.563 3.027 20 0 EGADMP Cc1cccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC000960843264 1318977496 /nfs/dbraw/zinc/97/74/96/1318977496.db2.gz JBQUQSZYESGFNR-VQTJNVASSA-N 2 1 345.531 3.004 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC[N@H+]1C ZINC001022596041 1319008924 /nfs/dbraw/zinc/00/89/24/1319008924.db2.gz GHFYZVYYRSXOPX-DSLXNQLJSA-N 2 1 349.563 3.170 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1)[NH+]1CCCC1 ZINC000961031719 1319156038 /nfs/dbraw/zinc/15/60/38/1319156038.db2.gz NRYDRTKOYCFCFE-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001022956690 1319186710 /nfs/dbraw/zinc/18/67/10/1319186710.db2.gz CEQKZVMSRVCIFW-ZCNNSNEGSA-N 2 1 343.515 3.078 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001023124211 1319272632 /nfs/dbraw/zinc/27/26/32/1319272632.db2.gz BZJQHADPHRSCDI-TZRIAGMCSA-N 2 1 349.563 3.457 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961231095 1319362511 /nfs/dbraw/zinc/36/25/11/1319362511.db2.gz PLRNOEAFNZWLHD-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000915097944 1319421743 /nfs/dbraw/zinc/42/17/43/1319421743.db2.gz LZLBITAFIXTJFQ-OALUTQOASA-N 2 1 347.547 3.260 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001023395629 1319502137 /nfs/dbraw/zinc/50/21/37/1319502137.db2.gz IWTAQNFDSNMHDC-INIZCTEOSA-N 2 1 349.544 3.052 20 0 EGADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000818186556 1319513203 /nfs/dbraw/zinc/51/32/03/1319513203.db2.gz LQMCMTFGLDBZPB-HNNXBMFYSA-N 2 1 338.467 3.327 20 0 EGADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000818186556 1319513212 /nfs/dbraw/zinc/51/32/12/1319513212.db2.gz LQMCMTFGLDBZPB-HNNXBMFYSA-N 2 1 338.467 3.327 20 0 EGADMP CC(C)(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023413718 1319516770 /nfs/dbraw/zinc/51/67/70/1319516770.db2.gz ICHBOQKPFPZKPR-IAGOWNOFSA-N 2 1 346.519 3.025 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023413718 1319516778 /nfs/dbraw/zinc/51/67/78/1319516778.db2.gz ICHBOQKPFPZKPR-IAGOWNOFSA-N 2 1 346.519 3.025 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(C(C)(C)C)cc1)CC[NH2+]CC2 ZINC000818339688 1319529048 /nfs/dbraw/zinc/52/90/48/1319529048.db2.gz CYRVARMQDGNCHL-MRXNPFEDSA-N 2 1 343.515 3.387 20 0 EGADMP CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC000961418564 1319574989 /nfs/dbraw/zinc/57/49/89/1319574989.db2.gz CFEJXEKULMJIIZ-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC000961418564 1319575002 /nfs/dbraw/zinc/57/50/02/1319575002.db2.gz CFEJXEKULMJIIZ-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC000961418564 1319575006 /nfs/dbraw/zinc/57/50/06/1319575006.db2.gz CFEJXEKULMJIIZ-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000819275174 1319686638 /nfs/dbraw/zinc/68/66/38/1319686638.db2.gz RPSAUPZAIGBWNM-FXAWDEMLSA-N 2 1 344.886 3.485 20 0 EGADMP CCCC[N@H+]1CCC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588934 1319709976 /nfs/dbraw/zinc/70/99/76/1319709976.db2.gz OMQWBGULSSHABX-LJQANCHMSA-N 2 1 345.531 3.033 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632334 1319753047 /nfs/dbraw/zinc/75/30/47/1319753047.db2.gz JYCFDPULPVCSCR-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632334 1319753051 /nfs/dbraw/zinc/75/30/51/1319753051.db2.gz JYCFDPULPVCSCR-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632334 1319753057 /nfs/dbraw/zinc/75/30/57/1319753057.db2.gz JYCFDPULPVCSCR-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646101 1319766829 /nfs/dbraw/zinc/76/68/29/1319766829.db2.gz HZRFYIPVHWHZLA-IBGZPJMESA-N 2 1 345.531 3.236 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707833 1319835891 /nfs/dbraw/zinc/83/58/91/1319835891.db2.gz XPTNKSRDCIVSHO-QGZVFWFLSA-N 2 1 346.519 3.026 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707833 1319835911 /nfs/dbraw/zinc/83/59/11/1319835911.db2.gz XPTNKSRDCIVSHO-QGZVFWFLSA-N 2 1 346.519 3.026 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)CC1 ZINC000821984601 1320045181 /nfs/dbraw/zinc/04/51/81/1320045181.db2.gz XLACMYUMXOEFOK-MRXNPFEDSA-N 2 1 339.524 3.238 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](CC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000823247508 1320165485 /nfs/dbraw/zinc/16/54/85/1320165485.db2.gz GOWYSACYEQOKFM-HNNXBMFYSA-N 2 1 348.362 3.062 20 0 EGADMP c1nc(C2CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)n[nH]1 ZINC000839502497 1320929498 /nfs/dbraw/zinc/92/94/98/1320929498.db2.gz NGYJSSUQLAEYTG-UHFFFAOYSA-N 2 1 339.487 3.170 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2CN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000859155671 1328933947 /nfs/dbraw/zinc/93/39/47/1328933947.db2.gz ODAJWYZMPTTXAE-RDJZCZTQSA-N 2 1 339.524 3.048 20 0 EGADMP CCCCn1nc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1Cl ZINC000843125705 1321473276 /nfs/dbraw/zinc/47/32/76/1321473276.db2.gz FTVVPFUYEIVBMH-JKSUJKDBSA-N 2 1 338.927 3.467 20 0 EGADMP C[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C1CCC([NH3+])CC1 ZINC000843354206 1321504678 /nfs/dbraw/zinc/50/46/78/1321504678.db2.gz XXNXKXUOYLTWMS-UHFFFAOYSA-N 2 1 330.259 3.134 20 0 EGADMP CCc1cc2oc(=O)cc(C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)c2cc1Cl ZINC000843362328 1321507035 /nfs/dbraw/zinc/50/70/35/1321507035.db2.gz DRJOIYYJNGVUNI-NEPJUHHUSA-N 2 1 334.847 3.178 20 0 EGADMP CCc1cc2oc(=O)cc(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)c2cc1Cl ZINC000843362328 1321507039 /nfs/dbraw/zinc/50/70/39/1321507039.db2.gz DRJOIYYJNGVUNI-NEPJUHHUSA-N 2 1 334.847 3.178 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843378131 1321508728 /nfs/dbraw/zinc/50/87/28/1321508728.db2.gz SQTPTHBHLKUGAI-HOTGVXAUSA-N 2 1 331.504 3.372 20 0 EGADMP CCc1ccc2c(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000843387856 1321509746 /nfs/dbraw/zinc/50/97/46/1321509746.db2.gz JJROWOHECYVSFF-IAGOWNOFSA-N 2 1 340.467 3.177 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cncc3ccccc32)C1 ZINC000844910817 1321656965 /nfs/dbraw/zinc/65/69/65/1321656965.db2.gz JTGINSDLDABVRF-RLLQIKCJSA-N 2 1 325.456 3.096 20 0 EGADMP COc1cccc(C[N@@H+](CCCCCC[NH3+])C2CCC(O)CC2)c1 ZINC000846217612 1321776949 /nfs/dbraw/zinc/77/69/49/1321776949.db2.gz FSSCNDUUKYXNGV-UHFFFAOYSA-N 2 1 334.504 3.320 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)[C@H]1CC[NH3+] ZINC000846226641 1321778123 /nfs/dbraw/zinc/77/81/23/1321778123.db2.gz SDGYUBXQJUSWPM-KUHUBIRLSA-N 2 1 340.467 3.231 20 0 EGADMP CN(Cc1ccc2nonc2c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000846807844 1321810547 /nfs/dbraw/zinc/81/05/47/1321810547.db2.gz DUYJBAUXBFDDGT-GOSISDBHSA-N 2 1 336.439 3.177 20 0 EGADMP C[NH+](Cc1ccc2nonc2c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000846807844 1321810556 /nfs/dbraw/zinc/81/05/56/1321810556.db2.gz DUYJBAUXBFDDGT-GOSISDBHSA-N 2 1 336.439 3.177 20 0 EGADMP C[NH+](Cc1ccc2nonc2c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000846807844 1321810562 /nfs/dbraw/zinc/81/05/62/1321810562.db2.gz DUYJBAUXBFDDGT-GOSISDBHSA-N 2 1 336.439 3.177 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(Cl)c1Cl ZINC000849062631 1322063149 /nfs/dbraw/zinc/06/31/49/1322063149.db2.gz XNKIJNOOCVMLLY-GFCCVEGCSA-N 2 1 329.275 3.092 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)C1 ZINC000849083726 1322072122 /nfs/dbraw/zinc/07/21/22/1322072122.db2.gz GMBPMWWGTJNCRQ-LBPRGKRZSA-N 2 1 344.381 3.252 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=[NH2+])NC3CCC3)cc2)C1 ZINC000849110697 1322081933 /nfs/dbraw/zinc/08/19/33/1322081933.db2.gz KQLJHPFYQUDSEU-IYBDPMFKSA-N 2 1 328.504 3.331 20 0 EGADMP Cc1nc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)[nH]c1C ZINC000850217331 1322208384 /nfs/dbraw/zinc/20/83/84/1322208384.db2.gz BEVUQXARUUSVHH-UHFFFAOYSA-N 2 1 341.503 3.417 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000850399572 1322238561 /nfs/dbraw/zinc/23/85/61/1322238561.db2.gz MWYCPLHJEZRIMD-XJKCOSOUSA-N 2 1 329.271 3.243 20 0 EGADMP CCC[N@@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000923325851 1322734971 /nfs/dbraw/zinc/73/49/71/1322734971.db2.gz CKCBYUHTTRSAHB-NRFANRHFSA-N 2 1 326.484 3.207 20 0 EGADMP O[C@H](C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000923363796 1322740856 /nfs/dbraw/zinc/74/08/56/1322740856.db2.gz FVCNVHLGNSBIGW-AFAVFJNCSA-N 2 1 343.298 3.491 20 0 EGADMP O[C@H](C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000923363796 1322740858 /nfs/dbraw/zinc/74/08/58/1322740858.db2.gz FVCNVHLGNSBIGW-AFAVFJNCSA-N 2 1 343.298 3.491 20 0 EGADMP CC(C)(C)c1ncc2c(n1)CC[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000923397685 1322745140 /nfs/dbraw/zinc/74/51/40/1322745140.db2.gz FKKFRVFEBALIQS-ZXFUBFMLSA-N 2 1 328.504 3.053 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@@H]1C[NH3+] ZINC000923493511 1322761227 /nfs/dbraw/zinc/76/12/27/1322761227.db2.gz HOYQKSXKBNWPKL-FUHWJXTLSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H](C[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC000924661760 1323099836 /nfs/dbraw/zinc/09/98/36/1323099836.db2.gz RBGIJBWRDAELQM-XNIRIUNOSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H](C[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC000924661760 1323099842 /nfs/dbraw/zinc/09/98/42/1323099842.db2.gz RBGIJBWRDAELQM-XNIRIUNOSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cc[nH]c(=O)c1 ZINC000924874373 1323196321 /nfs/dbraw/zinc/19/63/21/1323196321.db2.gz PSZVUOAGQWXCDK-LSDHHAIUSA-N 2 1 331.485 3.412 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc[nH]c(=O)c1 ZINC000924874373 1323196328 /nfs/dbraw/zinc/19/63/28/1323196328.db2.gz PSZVUOAGQWXCDK-LSDHHAIUSA-N 2 1 331.485 3.412 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001024186243 1323197531 /nfs/dbraw/zinc/19/75/31/1323197531.db2.gz NTPALXLTPWHDDY-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000963158238 1323220032 /nfs/dbraw/zinc/22/00/32/1323220032.db2.gz VPKMHJBZGMKOQS-MHJFOBGBSA-N 2 1 349.563 3.410 20 0 EGADMP FC(F)(F)c1ccccc1[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852744489 1323234023 /nfs/dbraw/zinc/23/40/23/1323234023.db2.gz BOCKEUOCANQHHS-CZUORRHYSA-N 2 1 340.389 3.363 20 0 EGADMP Cc1ccccc1C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccco1 ZINC000924995163 1323239354 /nfs/dbraw/zinc/23/93/54/1323239354.db2.gz XTEZOOSPWKWNNW-AZUAARDMSA-N 2 1 341.499 3.097 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(-c2ccccc2)no1 ZINC000925023418 1323247738 /nfs/dbraw/zinc/24/77/38/1323247738.db2.gz NAHQFPKXPCXYPK-WMZOPIPTSA-N 2 1 343.471 3.229 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H](O)c2ccccn2)cc1 ZINC000853062133 1323271850 /nfs/dbraw/zinc/27/18/50/1323271850.db2.gz JLNOYZFOYDUFGI-UTKZUKDTSA-N 2 1 339.483 3.279 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@H](O)c2ccccn2)C1 ZINC000853098444 1323281224 /nfs/dbraw/zinc/28/12/24/1323281224.db2.gz JNHXSTBLFISXRB-UWJYYQICSA-N 2 1 339.483 3.137 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024437667 1323397701 /nfs/dbraw/zinc/39/77/01/1323397701.db2.gz UWICMLCKCLKDLI-ZWKOTPCHSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC001024437667 1323397707 /nfs/dbraw/zinc/39/77/07/1323397707.db2.gz UWICMLCKCLKDLI-ZWKOTPCHSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccsc1 ZINC001024437667 1323397712 /nfs/dbraw/zinc/39/77/12/1323397712.db2.gz UWICMLCKCLKDLI-ZWKOTPCHSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024439533 1323402732 /nfs/dbraw/zinc/40/27/32/1323402732.db2.gz BIWFJZSYWFADCA-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024439533 1323402745 /nfs/dbraw/zinc/40/27/45/1323402745.db2.gz BIWFJZSYWFADCA-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024439533 1323402752 /nfs/dbraw/zinc/40/27/52/1323402752.db2.gz BIWFJZSYWFADCA-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(NC[C@@H]1CCCC[N@H+]1CC1CC1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440951 1323403734 /nfs/dbraw/zinc/40/37/34/1323403734.db2.gz VTKWIMAQEHJQEZ-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCCC[NH+]1CC1CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440951 1323403739 /nfs/dbraw/zinc/40/37/39/1323403739.db2.gz VTKWIMAQEHJQEZ-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCCC[NH+]1CC1CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440951 1323403742 /nfs/dbraw/zinc/40/37/42/1323403742.db2.gz VTKWIMAQEHJQEZ-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCC2CCCC2)CC[N@H+]1C ZINC001024448198 1323407799 /nfs/dbraw/zinc/40/77/99/1323407799.db2.gz FKARYXRZISYZFT-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCC2CCCC2)CC[NH+]1C ZINC001024448198 1323407805 /nfs/dbraw/zinc/40/78/05/1323407805.db2.gz FKARYXRZISYZFT-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CCC2CCCC2)CC[NH+]1C ZINC001024448198 1323407811 /nfs/dbraw/zinc/40/78/11/1323407811.db2.gz FKARYXRZISYZFT-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024469651 1323424231 /nfs/dbraw/zinc/42/42/31/1323424231.db2.gz VGPOFGTWWFFLLM-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001024469651 1323424234 /nfs/dbraw/zinc/42/42/34/1323424234.db2.gz VGPOFGTWWFFLLM-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC(C)(C)C1 ZINC001024469651 1323424237 /nfs/dbraw/zinc/42/42/37/1323424237.db2.gz VGPOFGTWWFFLLM-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024470405 1323424958 /nfs/dbraw/zinc/42/49/58/1323424958.db2.gz ZMHSLHXJWVHHNX-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001024470405 1323424963 /nfs/dbraw/zinc/42/49/63/1323424963.db2.gz ZMHSLHXJWVHHNX-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001024470405 1323424970 /nfs/dbraw/zinc/42/49/70/1323424970.db2.gz ZMHSLHXJWVHHNX-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2CCCC2)C1 ZINC001024478932 1323431855 /nfs/dbraw/zinc/43/18/55/1323431855.db2.gz VXDHUPJCTUUQNX-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CCCC2)C1 ZINC001024478932 1323431859 /nfs/dbraw/zinc/43/18/59/1323431859.db2.gz VXDHUPJCTUUQNX-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC2CCCC2)C1 ZINC001024478932 1323431861 /nfs/dbraw/zinc/43/18/61/1323431861.db2.gz VXDHUPJCTUUQNX-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479151 1323432141 /nfs/dbraw/zinc/43/21/41/1323432141.db2.gz AOEDDZKKHBCTGA-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479151 1323432143 /nfs/dbraw/zinc/43/21/43/1323432143.db2.gz AOEDDZKKHBCTGA-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479151 1323432153 /nfs/dbraw/zinc/43/21/53/1323432153.db2.gz AOEDDZKKHBCTGA-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024522075 1323471028 /nfs/dbraw/zinc/47/10/28/1323471028.db2.gz ZBQQBYBWJGZFKS-MRXNPFEDSA-N 2 1 328.460 3.027 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2CCCC2)C1 ZINC001024613866 1323542824 /nfs/dbraw/zinc/54/28/24/1323542824.db2.gz CXTSZRVBNXVIKL-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CCCC2)C1 ZINC001024613866 1323542831 /nfs/dbraw/zinc/54/28/31/1323542831.db2.gz CXTSZRVBNXVIKL-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC2CCCC2)C1 ZINC001024613866 1323542834 /nfs/dbraw/zinc/54/28/34/1323542834.db2.gz CXTSZRVBNXVIKL-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CC2CCCCCC2)CC1 ZINC001024634927 1323559785 /nfs/dbraw/zinc/55/97/85/1323559785.db2.gz YUVHLMFRQIRIDV-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814061 1323715617 /nfs/dbraw/zinc/71/56/17/1323715617.db2.gz NWJKMLCBWNBLTC-AEFFLSMTSA-N 2 1 349.494 3.081 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024812701 1323716938 /nfs/dbraw/zinc/71/69/38/1323716938.db2.gz RJPIATGBRWLYDB-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001024812701 1323716946 /nfs/dbraw/zinc/71/69/46/1323716946.db2.gz RJPIATGBRWLYDB-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC(C)(C)C1 ZINC001024812701 1323716949 /nfs/dbraw/zinc/71/69/49/1323716949.db2.gz RJPIATGBRWLYDB-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1)C1CCC1 ZINC001024982775 1323812913 /nfs/dbraw/zinc/81/29/13/1323812913.db2.gz BPAWNYATZHGXOG-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@H](C)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931431841 1329115776 /nfs/dbraw/zinc/11/57/76/1329115776.db2.gz QOTBBPIWSBJZRH-YESZJQIVSA-N 2 1 329.488 3.021 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431841 1329115780 /nfs/dbraw/zinc/11/57/80/1329115780.db2.gz QOTBBPIWSBJZRH-YESZJQIVSA-N 2 1 329.488 3.021 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431841 1329115781 /nfs/dbraw/zinc/11/57/81/1329115781.db2.gz QOTBBPIWSBJZRH-YESZJQIVSA-N 2 1 329.488 3.021 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931431841 1329115783 /nfs/dbraw/zinc/11/57/83/1329115783.db2.gz QOTBBPIWSBJZRH-YESZJQIVSA-N 2 1 329.488 3.021 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931431841 1329115786 /nfs/dbraw/zinc/11/57/86/1329115786.db2.gz QOTBBPIWSBJZRH-YESZJQIVSA-N 2 1 329.488 3.021 20 0 EGADMP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432060 1329116361 /nfs/dbraw/zinc/11/63/61/1329116361.db2.gz WHMYIPIKWRRGHF-IXDOHACOSA-N 2 1 343.515 3.195 20 0 EGADMP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432060 1329116362 /nfs/dbraw/zinc/11/63/62/1329116362.db2.gz WHMYIPIKWRRGHF-IXDOHACOSA-N 2 1 343.515 3.195 20 0 EGADMP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432060 1329116363 /nfs/dbraw/zinc/11/63/63/1329116363.db2.gz WHMYIPIKWRRGHF-IXDOHACOSA-N 2 1 343.515 3.195 20 0 EGADMP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432060 1329116368 /nfs/dbraw/zinc/11/63/68/1329116368.db2.gz WHMYIPIKWRRGHF-IXDOHACOSA-N 2 1 343.515 3.195 20 0 EGADMP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432060 1329116370 /nfs/dbraw/zinc/11/63/70/1329116370.db2.gz WHMYIPIKWRRGHF-IXDOHACOSA-N 2 1 343.515 3.195 20 0 EGADMP Cc1ccc(-c2nnc([C@@H](C)N3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)o2)cc1C ZINC000931435757 1329116763 /nfs/dbraw/zinc/11/67/63/1329116763.db2.gz NPDAZYXIHCILHS-BPQIPLTHSA-N 2 1 340.471 3.298 20 0 EGADMP Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)o2)cc1C ZINC000931435757 1329116765 /nfs/dbraw/zinc/11/67/65/1329116765.db2.gz NPDAZYXIHCILHS-BPQIPLTHSA-N 2 1 340.471 3.298 20 0 EGADMP Cc1ccc(-c2nnc([C@@H](C)[N@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)o2)cc1C ZINC000931435757 1329116767 /nfs/dbraw/zinc/11/67/67/1329116767.db2.gz NPDAZYXIHCILHS-BPQIPLTHSA-N 2 1 340.471 3.298 20 0 EGADMP Cc1ccc(-c2nnc([C@@H](C)[NH+]3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)o2)cc1C ZINC000931435757 1329116769 /nfs/dbraw/zinc/11/67/69/1329116769.db2.gz NPDAZYXIHCILHS-BPQIPLTHSA-N 2 1 340.471 3.298 20 0 EGADMP Cc1ccc(-c2nnc([C@@H](C)[NH+]3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)o2)cc1C ZINC000931435757 1329116770 /nfs/dbraw/zinc/11/67/70/1329116770.db2.gz NPDAZYXIHCILHS-BPQIPLTHSA-N 2 1 340.471 3.298 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001025135682 1323912788 /nfs/dbraw/zinc/91/27/88/1323912788.db2.gz HUXZKFWRVXBBHJ-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001025137195 1323914009 /nfs/dbraw/zinc/91/40/09/1323914009.db2.gz VXVRTFSLPNRFAC-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001025168403 1323937922 /nfs/dbraw/zinc/93/79/22/1323937922.db2.gz BZXAJFGOVQIXOY-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001025232887 1324020167 /nfs/dbraw/zinc/02/01/67/1324020167.db2.gz RAPPECMVEVRPAP-ROUUACIJSA-N 2 1 335.536 3.116 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001025246402 1324045931 /nfs/dbraw/zinc/04/59/31/1324045931.db2.gz WUVQMSDVPGZJCW-OALUTQOASA-N 2 1 340.471 3.122 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300062 1324132380 /nfs/dbraw/zinc/13/23/80/1324132380.db2.gz AYXSGQKDNRPYQK-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025484648 1324333778 /nfs/dbraw/zinc/33/37/78/1324333778.db2.gz HEPUJFNDIIDTIA-DLBZAZTESA-N 2 1 342.487 3.211 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025517479 1324361414 /nfs/dbraw/zinc/36/14/14/1324361414.db2.gz ZXHYKTINFQAOIV-DLBZAZTESA-N 2 1 347.503 3.138 20 0 EGADMP CC(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025597212 1324446091 /nfs/dbraw/zinc/44/60/91/1324446091.db2.gz OGPZSSIYAHYYDX-DLBZAZTESA-N 2 1 346.519 3.024 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025597212 1324446096 /nfs/dbraw/zinc/44/60/96/1324446096.db2.gz OGPZSSIYAHYYDX-DLBZAZTESA-N 2 1 346.519 3.024 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001025630418 1324482478 /nfs/dbraw/zinc/48/24/78/1324482478.db2.gz SQNHPICNGOYIDN-SJORKVTESA-N 2 1 349.519 3.362 20 0 EGADMP CC(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001026547231 1324884362 /nfs/dbraw/zinc/88/43/62/1324884362.db2.gz ATPVKGWNORHXAE-QLOJAFMTSA-N 2 1 349.563 3.457 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001026610848 1324932867 /nfs/dbraw/zinc/93/28/67/1324932867.db2.gz VQMDLMARGAMQML-MHJFOBGBSA-N 2 1 347.547 3.378 20 0 EGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC2(C1)CCCC2 ZINC000925119150 1325053418 /nfs/dbraw/zinc/05/34/18/1325053418.db2.gz DBRSQCILRSVWBD-QUCCMNQESA-N 2 1 328.500 3.182 20 0 EGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC2(C1)CCCC2 ZINC000925119150 1325053423 /nfs/dbraw/zinc/05/34/23/1325053423.db2.gz DBRSQCILRSVWBD-QUCCMNQESA-N 2 1 328.500 3.182 20 0 EGADMP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCC(C)C)CC2)C1 ZINC000925226645 1325087789 /nfs/dbraw/zinc/08/77/89/1325087789.db2.gz PXSQAVGSSSPMSQ-HMFYCAOWSA-N 2 1 328.566 3.166 20 0 EGADMP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000925308858 1325120504 /nfs/dbraw/zinc/12/05/04/1325120504.db2.gz SPNUYRNTPHTKQH-LIRRHRJNSA-N 2 1 349.494 3.244 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001027103941 1325228656 /nfs/dbraw/zinc/22/86/56/1325228656.db2.gz IWWMIURLEHBIIY-HKUYNNGSSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cc(CO)on1 ZINC000925614774 1325230750 /nfs/dbraw/zinc/23/07/50/1325230750.db2.gz KOYXOWQIBNHADE-RYRKJORJSA-N 2 1 343.471 3.118 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cn(C)cn1 ZINC000925618360 1325232976 /nfs/dbraw/zinc/23/29/76/1325232976.db2.gz ZVDSHXLULNYENI-AOIWGVFYSA-N 2 1 326.488 3.371 20 0 EGADMP CC1(C)[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925700022 1325264910 /nfs/dbraw/zinc/26/49/10/1325264910.db2.gz MWOVCVYZPGAQLG-HUHSQHJXSA-N 2 1 329.488 3.237 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1nc(Br)ccc1F ZINC000926572670 1327619800 /nfs/dbraw/zinc/61/98/00/1327619800.db2.gz GSRNJAZAWYPHCY-RYUDHWBXSA-N 2 1 344.272 3.366 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2=CCCCC2)C1)[NH+](C)C ZINC001027461488 1327707360 /nfs/dbraw/zinc/70/73/60/1327707360.db2.gz LNXKHKXRJYQHEE-RBUKOAKNSA-N 2 1 335.536 3.140 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3cccnc32)[C@H](C)C1 ZINC000927060632 1327835513 /nfs/dbraw/zinc/83/55/13/1327835513.db2.gz ZKYBISCUAAUMFU-BHIYHBOVSA-N 2 1 331.504 3.186 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3cccnc32)[C@H](C)C1 ZINC000927060632 1327835520 /nfs/dbraw/zinc/83/55/20/1327835520.db2.gz ZKYBISCUAAUMFU-BHIYHBOVSA-N 2 1 331.504 3.186 20 0 EGADMP CCOCCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000927086701 1327854591 /nfs/dbraw/zinc/85/45/91/1327854591.db2.gz MPVDAKADCINDLI-NJYVYQBISA-N 2 1 346.515 3.072 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2c(C)cccc2C)C1)[NH+](C)C ZINC001027580827 1327915746 /nfs/dbraw/zinc/91/57/46/1327915746.db2.gz BDUUEFNDFCNGAK-QUCCMNQESA-N 2 1 345.531 3.066 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC(C)C)C1 ZINC001027646152 1328021309 /nfs/dbraw/zinc/02/13/09/1328021309.db2.gz CSWAUWCQRLCHFB-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC(C)C)C1 ZINC001027646152 1328021317 /nfs/dbraw/zinc/02/13/17/1328021317.db2.gz CSWAUWCQRLCHFB-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC(C)C)C1 ZINC001027646152 1328021326 /nfs/dbraw/zinc/02/13/26/1328021326.db2.gz CSWAUWCQRLCHFB-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647043 1328024328 /nfs/dbraw/zinc/02/43/28/1328024328.db2.gz KWWMEMLELGYPQL-PZJWPPBQSA-N 2 1 345.531 3.042 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCCC2)C1 ZINC001027694506 1328100462 /nfs/dbraw/zinc/10/04/62/1328100462.db2.gz AQMTYJZBNKQQAR-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027694506 1328100466 /nfs/dbraw/zinc/10/04/66/1328100466.db2.gz AQMTYJZBNKQQAR-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027694506 1328100467 /nfs/dbraw/zinc/10/04/67/1328100467.db2.gz AQMTYJZBNKQQAR-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027694644 1328101412 /nfs/dbraw/zinc/10/14/12/1328101412.db2.gz FETBCOXUYSWKRU-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000966074534 1328170290 /nfs/dbraw/zinc/17/02/90/1328170290.db2.gz IJBZVOHWTALXGH-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966492625 1328321819 /nfs/dbraw/zinc/32/18/19/1328321819.db2.gz RWQNABOADOPRHD-HOCLYGCPSA-N 2 1 337.533 3.050 20 0 EGADMP CCCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966492625 1328321828 /nfs/dbraw/zinc/32/18/28/1328321828.db2.gz RWQNABOADOPRHD-HOCLYGCPSA-N 2 1 337.533 3.050 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001027878735 1328345453 /nfs/dbraw/zinc/34/54/53/1328345453.db2.gz HRDDYNLSXGVXFL-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001027878735 1328345463 /nfs/dbraw/zinc/34/54/63/1328345463.db2.gz HRDDYNLSXGVXFL-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCC1 ZINC001027878735 1328345472 /nfs/dbraw/zinc/34/54/72/1328345472.db2.gz HRDDYNLSXGVXFL-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885484 1328353441 /nfs/dbraw/zinc/35/34/41/1328353441.db2.gz FKZJQJIEAHRHAU-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885484 1328353450 /nfs/dbraw/zinc/35/34/50/1328353450.db2.gz FKZJQJIEAHRHAU-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885484 1328353455 /nfs/dbraw/zinc/35/34/55/1328353455.db2.gz FKZJQJIEAHRHAU-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027971575 1328443580 /nfs/dbraw/zinc/44/35/80/1328443580.db2.gz HPNWOBDHVDQQMT-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC001027971575 1328443585 /nfs/dbraw/zinc/44/35/85/1328443585.db2.gz HPNWOBDHVDQQMT-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCCC1 ZINC001027971575 1328443586 /nfs/dbraw/zinc/44/35/86/1328443586.db2.gz HPNWOBDHVDQQMT-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC1CCC(C[N@H+]2CCC[C@H]2CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001027992881 1328459236 /nfs/dbraw/zinc/45/92/36/1328459236.db2.gz GUVGQDGLUBERAO-ACBHZAAOSA-N 2 1 347.547 3.022 20 0 EGADMP Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029751 1328492520 /nfs/dbraw/zinc/49/25/20/1328492520.db2.gz KWVJKRUJTUBRTC-IBGZPJMESA-N 2 1 348.450 3.037 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029513 1328492994 /nfs/dbraw/zinc/49/29/94/1328492994.db2.gz GKDYZSVFSSDJIN-OXJNMPFZSA-N 2 1 348.450 3.290 20 0 EGADMP C[C@H](O)c1ncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000865660953 1329726365 /nfs/dbraw/zinc/72/63/65/1329726365.db2.gz UFUGWIMFODJIEZ-ZOBUZTSGSA-N 2 1 345.512 3.054 20 0 EGADMP C[C@H](O)c1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000865660953 1329726368 /nfs/dbraw/zinc/72/63/68/1329726368.db2.gz UFUGWIMFODJIEZ-ZOBUZTSGSA-N 2 1 345.512 3.054 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H](c3ccccn3)C(C)C)CC2)nc(C)[nH+]1 ZINC000866281469 1330090259 /nfs/dbraw/zinc/09/02/59/1330090259.db2.gz IMJAXQAUQAARQY-FQEVSTJZSA-N 2 1 339.487 3.444 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000866469424 1330116305 /nfs/dbraw/zinc/11/63/05/1330116305.db2.gz ICMKAPDLNPLSOG-NQIIRXRSSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000866469424 1330116306 /nfs/dbraw/zinc/11/63/06/1330116306.db2.gz ICMKAPDLNPLSOG-NQIIRXRSSA-N 2 1 329.532 3.361 20 0 EGADMP COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)co1 ZINC000866666112 1330139662 /nfs/dbraw/zinc/13/96/62/1330139662.db2.gz NVGAAOOUCXXHGR-JKSUJKDBSA-N 2 1 341.455 3.172 20 0 EGADMP CC1(C)CC[NH2+]CC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000866699715 1330142050 /nfs/dbraw/zinc/14/20/50/1330142050.db2.gz SWKSCIKEBXDVNC-UHFFFAOYSA-N 2 1 334.851 3.006 20 0 EGADMP CC1(C)CC[NH2+]CC[N@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000866699715 1330142052 /nfs/dbraw/zinc/14/20/52/1330142052.db2.gz SWKSCIKEBXDVNC-UHFFFAOYSA-N 2 1 334.851 3.006 20 0 EGADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000940918158 1331253731 /nfs/dbraw/zinc/25/37/31/1331253731.db2.gz MKEMJDQZWVMREP-IBGZPJMESA-N 2 1 345.531 3.029 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC1(C)C ZINC000941067779 1331318204 /nfs/dbraw/zinc/31/82/04/1331318204.db2.gz IQBNCFXSFNKXSL-QGZVFWFLSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC2CCC2)CC1(C)C ZINC000941067779 1331318210 /nfs/dbraw/zinc/31/82/10/1331318210.db2.gz IQBNCFXSFNKXSL-QGZVFWFLSA-N 2 1 346.519 3.023 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941237400 1331402609 /nfs/dbraw/zinc/40/26/09/1331402609.db2.gz MSSUZZNUMBVBSM-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCC2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557863 1331972473 /nfs/dbraw/zinc/97/24/73/1331972473.db2.gz OABNJLKAHQQQKZ-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597033 1331995827 /nfs/dbraw/zinc/99/58/27/1331995827.db2.gz IAAAGXHOYNNWJX-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[N@@H+](CCCC2CCC2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821661 1332042301 /nfs/dbraw/zinc/04/23/01/1332042301.db2.gz GAJZFSQDIMXOSI-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[NH+](CCCC2CCC2)CC[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821661 1332042302 /nfs/dbraw/zinc/04/23/02/1332042302.db2.gz GAJZFSQDIMXOSI-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[NH+](CCCC2CCC2)CC[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821661 1332042303 /nfs/dbraw/zinc/04/23/03/1332042303.db2.gz GAJZFSQDIMXOSI-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943286785 1332138432 /nfs/dbraw/zinc/13/84/32/1332138432.db2.gz GHUBIKAHXBHTGZ-FUHWJXTLSA-N 2 1 348.535 3.269 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943286785 1332138434 /nfs/dbraw/zinc/13/84/34/1332138434.db2.gz GHUBIKAHXBHTGZ-FUHWJXTLSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945089328 1332496823 /nfs/dbraw/zinc/49/68/23/1332496823.db2.gz FZUAPTAOSUMUHQ-FXAWDEMLSA-N 2 1 345.531 3.235 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945089052 1332497120 /nfs/dbraw/zinc/49/71/20/1332497120.db2.gz DSXBNMBUUIJQRJ-XLIONFOSSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586280 1332858130 /nfs/dbraw/zinc/85/81/30/1332858130.db2.gz ASKOUKNPLOIFBD-ZRNYENFQSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586280 1332858132 /nfs/dbraw/zinc/85/81/32/1332858132.db2.gz ASKOUKNPLOIFBD-ZRNYENFQSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586280 1332858133 /nfs/dbraw/zinc/85/81/33/1332858133.db2.gz ASKOUKNPLOIFBD-ZRNYENFQSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946592549 1332859213 /nfs/dbraw/zinc/85/92/13/1332859213.db2.gz SIKUNDHILDGOAN-KDURUIRLSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)[C@@H](C)C2)ccc2c[nH+]cn21 ZINC000947471711 1333141439 /nfs/dbraw/zinc/14/14/39/1333141439.db2.gz DZFKQYBUQVPWKK-YOEHRIQHSA-N 2 1 340.471 3.026 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1CC1CCCC1 ZINC000947552259 1333169872 /nfs/dbraw/zinc/16/98/72/1333169872.db2.gz SWAFSGGXGZSWSE-QAPCUYQASA-N 2 1 340.471 3.107 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CCCC1CCC1 ZINC000947617391 1333194384 /nfs/dbraw/zinc/19/43/84/1333194384.db2.gz YBCMDNJKBBTAFB-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947725712 1333241266 /nfs/dbraw/zinc/24/12/66/1333241266.db2.gz CARPCGUFQMIAOU-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947725712 1333241269 /nfs/dbraw/zinc/24/12/69/1333241269.db2.gz CARPCGUFQMIAOU-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947725712 1333241273 /nfs/dbraw/zinc/24/12/73/1333241273.db2.gz CARPCGUFQMIAOU-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947776451 1333258689 /nfs/dbraw/zinc/25/86/89/1333258689.db2.gz WFVIRFWEXDGUFI-APWZRJJASA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC1=CCCCC1 ZINC000947780191 1333259730 /nfs/dbraw/zinc/25/97/30/1333259730.db2.gz XGZUVWRVPZIQCK-PXNSSMCTSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947882768 1333290510 /nfs/dbraw/zinc/29/05/10/1333290510.db2.gz WRRBWNSFSWNEEO-PKOBYXMFSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCCC1CCCC1 ZINC000947934533 1333311603 /nfs/dbraw/zinc/31/16/03/1333311603.db2.gz KYMSJOPDUYIQJG-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1C/C=C\Cl ZINC000948065476 1333361552 /nfs/dbraw/zinc/36/15/52/1333361552.db2.gz JVKZJXQCTSWWAO-MIUTZJKYSA-N 2 1 349.906 3.083 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439170 1333525233 /nfs/dbraw/zinc/52/52/33/1333525233.db2.gz IWXGLFYEYOKDEZ-PKOBYXMFSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439170 1333525235 /nfs/dbraw/zinc/52/52/35/1333525235.db2.gz IWXGLFYEYOKDEZ-PKOBYXMFSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439170 1333525238 /nfs/dbraw/zinc/52/52/38/1333525238.db2.gz IWXGLFYEYOKDEZ-PKOBYXMFSA-N 2 1 335.536 3.115 20 0 EGADMP CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439764 1333526634 /nfs/dbraw/zinc/52/66/34/1333526634.db2.gz VDYZSDFPIOJJMU-PKOBYXMFSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439764 1333526636 /nfs/dbraw/zinc/52/66/36/1333526636.db2.gz VDYZSDFPIOJJMU-PKOBYXMFSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439764 1333526639 /nfs/dbraw/zinc/52/66/39/1333526639.db2.gz VDYZSDFPIOJJMU-PKOBYXMFSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000948570578 1333581262 /nfs/dbraw/zinc/58/12/62/1333581262.db2.gz METWMYBKVVTJEL-QGZVFWFLSA-N 2 1 342.487 3.369 20 0 EGADMP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948620609 1333599863 /nfs/dbraw/zinc/59/98/63/1333599863.db2.gz FUHGZWLCWNPHJZ-SFHVURJKSA-N 2 1 340.471 3.061 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC000948621232 1333600300 /nfs/dbraw/zinc/60/03/00/1333600300.db2.gz MWJPDXJKHFCZHV-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000948621232 1333600303 /nfs/dbraw/zinc/60/03/03/1333600303.db2.gz MWJPDXJKHFCZHV-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000948637598 1333606634 /nfs/dbraw/zinc/60/66/34/1333606634.db2.gz HOANWPUIOJBVGK-AZUAARDMSA-N 2 1 343.515 3.075 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000948637598 1333606638 /nfs/dbraw/zinc/60/66/38/1333606638.db2.gz HOANWPUIOJBVGK-AZUAARDMSA-N 2 1 343.515 3.075 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948742446 1333654592 /nfs/dbraw/zinc/65/45/92/1333654592.db2.gz JSMKIIPIHVMPKX-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000948755740 1333663442 /nfs/dbraw/zinc/66/34/42/1333663442.db2.gz KFDPVFRCRMXOTK-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948767140 1333669431 /nfs/dbraw/zinc/66/94/31/1333669431.db2.gz QYYPERPITIMHGN-HKUYNNGSSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000948767140 1333669435 /nfs/dbraw/zinc/66/94/35/1333669435.db2.gz QYYPERPITIMHGN-HKUYNNGSSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000948767140 1333669438 /nfs/dbraw/zinc/66/94/38/1333669438.db2.gz QYYPERPITIMHGN-HKUYNNGSSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948770395 1333671087 /nfs/dbraw/zinc/67/10/87/1333671087.db2.gz HKKDRBSDXYQROV-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000948770395 1333671091 /nfs/dbraw/zinc/67/10/91/1333671091.db2.gz HKKDRBSDXYQROV-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000948770395 1333671093 /nfs/dbraw/zinc/67/10/93/1333671093.db2.gz HKKDRBSDXYQROV-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948829444 1333700912 /nfs/dbraw/zinc/70/09/12/1333700912.db2.gz NBPLSUWRPCOVLC-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948829444 1333700914 /nfs/dbraw/zinc/70/09/14/1333700914.db2.gz NBPLSUWRPCOVLC-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948829444 1333700918 /nfs/dbraw/zinc/70/09/18/1333700918.db2.gz NBPLSUWRPCOVLC-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829164 1333701305 /nfs/dbraw/zinc/70/13/05/1333701305.db2.gz FWMYSDBUTCLYBG-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829164 1333701306 /nfs/dbraw/zinc/70/13/06/1333701306.db2.gz FWMYSDBUTCLYBG-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000948829164 1333701309 /nfs/dbraw/zinc/70/13/09/1333701309.db2.gz FWMYSDBUTCLYBG-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C1C[NH+](CC2CCCCC2)C1 ZINC000950501294 1334082685 /nfs/dbraw/zinc/08/26/85/1334082685.db2.gz XFZMWTNNIVEELN-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000950628146 1334098549 /nfs/dbraw/zinc/09/85/49/1334098549.db2.gz SLRDIEXUBZIZBM-UXHICEINSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000950628146 1334098553 /nfs/dbraw/zinc/09/85/53/1334098553.db2.gz SLRDIEXUBZIZBM-UXHICEINSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@H]1CC[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC000968062187 1335850152 /nfs/dbraw/zinc/85/01/52/1335850152.db2.gz UIHVYFLPAGRGPV-DOTOQJQBSA-N 2 1 349.519 3.218 20 0 EGADMP C[C@H]1CC[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC000968062187 1335850153 /nfs/dbraw/zinc/85/01/53/1335850153.db2.gz UIHVYFLPAGRGPV-DOTOQJQBSA-N 2 1 349.519 3.218 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000968646202 1335995456 /nfs/dbraw/zinc/99/54/56/1335995456.db2.gz BVLLIQJZEBMDMX-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968876503 1336075961 /nfs/dbraw/zinc/07/59/61/1336075961.db2.gz CGTRHPJDHQRVCC-INIZCTEOSA-N 2 1 337.533 3.194 20 0 EGADMP CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968876503 1336075964 /nfs/dbraw/zinc/07/59/64/1336075964.db2.gz CGTRHPJDHQRVCC-INIZCTEOSA-N 2 1 337.533 3.194 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001205248269 1370694818 /nfs/dbraw/zinc/69/48/18/1370694818.db2.gz NUUOKVUEXFRJSA-AWEZNQCLSA-N 2 1 337.678 3.323 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001205248269 1370694824 /nfs/dbraw/zinc/69/48/24/1370694824.db2.gz NUUOKVUEXFRJSA-AWEZNQCLSA-N 2 1 337.678 3.323 20 0 EGADMP CC(C)=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000969002664 1336115540 /nfs/dbraw/zinc/11/55/40/1336115540.db2.gz ZMKMMVQWPDIKGM-FHWLQOOXSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969002664 1336115543 /nfs/dbraw/zinc/11/55/43/1336115543.db2.gz ZMKMMVQWPDIKGM-FHWLQOOXSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969002664 1336115545 /nfs/dbraw/zinc/11/55/45/1336115545.db2.gz ZMKMMVQWPDIKGM-FHWLQOOXSA-N 2 1 335.536 3.044 20 0 EGADMP O=C(NC[C@H]1CCCCC[N@H+]1CCC1CCCC1)C12CC[NH+](CC1)C2 ZINC000969118321 1336149986 /nfs/dbraw/zinc/14/99/86/1336149986.db2.gz LNFCVJAZPRJRIT-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(NC[C@H]1CCCCC[N@H+]1CCCC1CCC1)C12CC[NH+](CC1)C2 ZINC000969118367 1336150228 /nfs/dbraw/zinc/15/02/28/1336150228.db2.gz NEPZMTWPZKADFL-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CCCC2)C1 ZINC000970026883 1336272786 /nfs/dbraw/zinc/27/27/86/1336272786.db2.gz JHAOPLXCAZJPBT-YLJYHZDGSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC001005885200 1336416112 /nfs/dbraw/zinc/41/61/12/1336416112.db2.gz VHHPZCKELAKANG-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001007457488 1336650256 /nfs/dbraw/zinc/65/02/56/1336650256.db2.gz OKHMHRFPFVWKEK-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001007457488 1336650259 /nfs/dbraw/zinc/65/02/59/1336650259.db2.gz OKHMHRFPFVWKEK-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001007457488 1336650262 /nfs/dbraw/zinc/65/02/62/1336650262.db2.gz OKHMHRFPFVWKEK-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001007790994 1336700851 /nfs/dbraw/zinc/70/08/51/1336700851.db2.gz YCSJXNWBTCQRME-LJQANCHMSA-N 2 1 347.547 3.166 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008537501 1336877108 /nfs/dbraw/zinc/87/71/08/1336877108.db2.gz DCMDHLBIBOLZBM-YLJYHZDGSA-N 2 1 345.531 3.031 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cncc(Br)c2Cl)CCC[C@H]1C[NH3+] ZINC001206036861 1370945395 /nfs/dbraw/zinc/94/53/95/1370945395.db2.gz RVFYMAGFYOAYOA-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cncc(Br)c2Cl)CCC[C@H]1C[NH3+] ZINC001206036861 1370945397 /nfs/dbraw/zinc/94/53/97/1370945397.db2.gz RVFYMAGFYOAYOA-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001009204102 1336985741 /nfs/dbraw/zinc/98/57/41/1336985741.db2.gz UFHBKPVAZSPMIW-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001009204102 1336985742 /nfs/dbraw/zinc/98/57/42/1336985742.db2.gz UFHBKPVAZSPMIW-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001009204102 1336985745 /nfs/dbraw/zinc/98/57/45/1336985745.db2.gz UFHBKPVAZSPMIW-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001009607635 1337045829 /nfs/dbraw/zinc/04/58/29/1337045829.db2.gz CCZPMKATHDJUCG-HXUWFJFHSA-N 2 1 345.531 3.379 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)CC[N@H+]1C ZINC001015611739 1338207794 /nfs/dbraw/zinc/20/77/94/1338207794.db2.gz MEGQQDBRCKFPAO-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CCC(C)(C)CC3)C2)CC[NH+]1C ZINC001015611739 1338207796 /nfs/dbraw/zinc/20/77/96/1338207796.db2.gz MEGQQDBRCKFPAO-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)CC[NH+]1C ZINC001015611739 1338207800 /nfs/dbraw/zinc/20/78/00/1338207800.db2.gz MEGQQDBRCKFPAO-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001015793592 1338313234 /nfs/dbraw/zinc/31/32/34/1338313234.db2.gz AOIHWNKEZMMUSC-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001015793592 1338313235 /nfs/dbraw/zinc/31/32/35/1338313235.db2.gz AOIHWNKEZMMUSC-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001015793592 1338313236 /nfs/dbraw/zinc/31/32/36/1338313236.db2.gz AOIHWNKEZMMUSC-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCC(C)CC3)C2)CC1 ZINC001015930898 1338363356 /nfs/dbraw/zinc/36/33/56/1338363356.db2.gz VRCBJSSOTCUNCY-QLOJAFMTSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001016329197 1338552739 /nfs/dbraw/zinc/55/27/39/1338552739.db2.gz KKGPVAQZEGJODV-LJQANCHMSA-N 2 1 343.515 3.133 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)c1 ZINC001016333883 1338553053 /nfs/dbraw/zinc/55/30/53/1338553053.db2.gz ZRTCAXDKLNJJJW-HXUWFJFHSA-N 2 1 341.499 3.053 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001016631337 1338669165 /nfs/dbraw/zinc/66/91/65/1338669165.db2.gz REZSIOBIAIFBIX-IPMKNSEASA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016653005 1338679604 /nfs/dbraw/zinc/67/96/04/1338679604.db2.gz YEKDJRCZZHBTHV-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016663369 1338683573 /nfs/dbraw/zinc/68/35/73/1338683573.db2.gz QEDWXXRMBNOTSZ-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016862216 1338751384 /nfs/dbraw/zinc/75/13/84/1338751384.db2.gz TXSYZKGPHTXWQI-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001017246062 1338976731 /nfs/dbraw/zinc/97/67/31/1338976731.db2.gz LWDDCQMFGQLKSJ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001017246062 1338976732 /nfs/dbraw/zinc/97/67/32/1338976732.db2.gz LWDDCQMFGQLKSJ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001017246062 1338976734 /nfs/dbraw/zinc/97/67/34/1338976734.db2.gz LWDDCQMFGQLKSJ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001017262651 1338989693 /nfs/dbraw/zinc/98/96/93/1338989693.db2.gz DKGXWIIENAAGBZ-OALUTQOASA-N 2 1 343.515 3.014 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1)[NH+]1CCCCC1 ZINC001017265810 1338991104 /nfs/dbraw/zinc/99/11/04/1338991104.db2.gz DIFONFCPVZNXTG-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1)[NH+]1CCCC1 ZINC001017265950 1338992322 /nfs/dbraw/zinc/99/23/22/1338992322.db2.gz HBXFDYYRVQFXFN-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001018013082 1339481634 /nfs/dbraw/zinc/48/16/34/1339481634.db2.gz XTIIPWRQQIZNSA-HDICACEKSA-N 2 1 346.519 3.118 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001018013082 1339481640 /nfs/dbraw/zinc/48/16/40/1339481640.db2.gz XTIIPWRQQIZNSA-HDICACEKSA-N 2 1 346.519 3.118 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCC2CCCC2)C1 ZINC001028087822 1340417644 /nfs/dbraw/zinc/41/76/44/1340417644.db2.gz AIJFZTXWYBSEAX-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCC2CCCC2)C1 ZINC001028087822 1340417645 /nfs/dbraw/zinc/41/76/45/1340417645.db2.gz AIJFZTXWYBSEAX-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCC2CCCC2)C1 ZINC001028087822 1340417646 /nfs/dbraw/zinc/41/76/46/1340417646.db2.gz AIJFZTXWYBSEAX-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCCC1 ZINC001028335228 1340572118 /nfs/dbraw/zinc/57/21/18/1340572118.db2.gz QGHVFISZSFKTGF-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001028335228 1340572122 /nfs/dbraw/zinc/57/21/22/1340572122.db2.gz QGHVFISZSFKTGF-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001028335228 1340572125 /nfs/dbraw/zinc/57/21/25/1340572125.db2.gz QGHVFISZSFKTGF-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001028918363 1340883782 /nfs/dbraw/zinc/88/37/82/1340883782.db2.gz GBLUXFNJYJHVQR-OALUTQOASA-N 2 1 335.536 3.045 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001028918363 1340883783 /nfs/dbraw/zinc/88/37/83/1340883783.db2.gz GBLUXFNJYJHVQR-OALUTQOASA-N 2 1 335.536 3.045 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001028918363 1340883784 /nfs/dbraw/zinc/88/37/84/1340883784.db2.gz GBLUXFNJYJHVQR-OALUTQOASA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001029107426 1340931709 /nfs/dbraw/zinc/93/17/09/1340931709.db2.gz MTAZDWVLIJGZLJ-APWZRJJASA-N 2 1 335.536 3.019 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCCC1 ZINC001029242274 1340960276 /nfs/dbraw/zinc/96/02/76/1340960276.db2.gz XHGFMANZFRUZBF-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCCC1 ZINC001029242274 1340960277 /nfs/dbraw/zinc/96/02/77/1340960277.db2.gz XHGFMANZFRUZBF-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCCC1 ZINC001029242274 1340960278 /nfs/dbraw/zinc/96/02/78/1340960278.db2.gz XHGFMANZFRUZBF-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001029359509 1340977302 /nfs/dbraw/zinc/97/73/02/1340977302.db2.gz ATVZZYAMLRXZQW-HSALFYBXSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1=CCCCC1 ZINC001029359509 1340977303 /nfs/dbraw/zinc/97/73/03/1340977303.db2.gz ATVZZYAMLRXZQW-HSALFYBXSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1=CCCCC1 ZINC001029359509 1340977304 /nfs/dbraw/zinc/97/73/04/1340977304.db2.gz ATVZZYAMLRXZQW-HSALFYBXSA-N 2 1 345.531 3.036 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001029372082 1340979673 /nfs/dbraw/zinc/97/96/73/1340979673.db2.gz ZQACDUSNAOAVOK-KDURUIRLSA-N 2 1 347.547 3.115 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001029372082 1340979674 /nfs/dbraw/zinc/97/96/74/1340979674.db2.gz ZQACDUSNAOAVOK-KDURUIRLSA-N 2 1 347.547 3.115 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001029372082 1340979675 /nfs/dbraw/zinc/97/96/75/1340979675.db2.gz ZQACDUSNAOAVOK-KDURUIRLSA-N 2 1 347.547 3.115 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)C1 ZINC001029436751 1340990119 /nfs/dbraw/zinc/99/01/19/1340990119.db2.gz DUEFMKNXODMJNO-QRVBRYPASA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)C1 ZINC001029436751 1340990121 /nfs/dbraw/zinc/99/01/21/1340990121.db2.gz DUEFMKNXODMJNO-QRVBRYPASA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)C1 ZINC001029436751 1340990122 /nfs/dbraw/zinc/99/01/22/1340990122.db2.gz DUEFMKNXODMJNO-QRVBRYPASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)C1 ZINC001029553628 1341011225 /nfs/dbraw/zinc/01/12/25/1341011225.db2.gz XCPANTXBGQBIAD-CADBVGFASA-N 2 1 349.563 3.218 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001029737582 1341058962 /nfs/dbraw/zinc/05/89/62/1341058962.db2.gz MGMNQWAWCZCSHY-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC1CCC(C[N@@H+](C)C[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001029756111 1341064155 /nfs/dbraw/zinc/06/41/55/1341064155.db2.gz QSEGXBFIQNITPO-CTWPCTMYSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](C)CC2CC(C)C2)CC1 ZINC001029964473 1341137013 /nfs/dbraw/zinc/13/70/13/1341137013.db2.gz KPLCHLHRNDPPTA-LYBXBRPPSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CC2CC(C)C2)CC1 ZINC001029964473 1341137015 /nfs/dbraw/zinc/13/70/15/1341137015.db2.gz KPLCHLHRNDPPTA-LYBXBRPPSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CC2CC(C)C2)CC1 ZINC001029964473 1341137017 /nfs/dbraw/zinc/13/70/17/1341137017.db2.gz KPLCHLHRNDPPTA-LYBXBRPPSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+](C)CC2CCC2)CC1 ZINC001030002897 1341154131 /nfs/dbraw/zinc/15/41/31/1341154131.db2.gz SAVRIZJPHVUVJK-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1 ZINC001030002897 1341154132 /nfs/dbraw/zinc/15/41/32/1341154132.db2.gz SAVRIZJPHVUVJK-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1 ZINC001030002897 1341154133 /nfs/dbraw/zinc/15/41/33/1341154133.db2.gz SAVRIZJPHVUVJK-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001030020530 1341159789 /nfs/dbraw/zinc/15/97/89/1341159789.db2.gz RDEHJBVOWAGAES-HOJAQTOUSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001030026637 1341160927 /nfs/dbraw/zinc/16/09/27/1341160927.db2.gz MHEZMIBSLXNZRR-QGZVKYPTSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001030026637 1341160928 /nfs/dbraw/zinc/16/09/28/1341160928.db2.gz MHEZMIBSLXNZRR-QGZVKYPTSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001030026637 1341160929 /nfs/dbraw/zinc/16/09/29/1341160929.db2.gz MHEZMIBSLXNZRR-QGZVKYPTSA-N 2 1 343.515 3.059 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCC2CCCCC2)C1 ZINC001031234683 1341301224 /nfs/dbraw/zinc/30/12/24/1341301224.db2.gz GLFDSKMZLIEKRZ-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCC2CCCCC2)C1 ZINC001031234683 1341301228 /nfs/dbraw/zinc/30/12/28/1341301228.db2.gz GLFDSKMZLIEKRZ-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001031715588 1341391879 /nfs/dbraw/zinc/39/18/79/1341391879.db2.gz WSEZAGPMOCEWJP-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCCCC2)C1 ZINC001032026283 1341441748 /nfs/dbraw/zinc/44/17/48/1341441748.db2.gz BRKGGZCKCDWTLO-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001032584159 1341549280 /nfs/dbraw/zinc/54/92/80/1341549280.db2.gz ONHGDTUCWBDCBJ-UFYCRDLUSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001032584159 1341549282 /nfs/dbraw/zinc/54/92/82/1341549282.db2.gz ONHGDTUCWBDCBJ-UFYCRDLUSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001032584159 1341549284 /nfs/dbraw/zinc/54/92/84/1341549284.db2.gz ONHGDTUCWBDCBJ-UFYCRDLUSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001032584159 1341549285 /nfs/dbraw/zinc/54/92/85/1341549285.db2.gz ONHGDTUCWBDCBJ-UFYCRDLUSA-N 2 1 345.531 3.035 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCC1 ZINC001032727165 1341593301 /nfs/dbraw/zinc/59/33/01/1341593301.db2.gz ZTEUQJQLWDAMKG-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1 ZINC001032727165 1341593302 /nfs/dbraw/zinc/59/33/02/1341593302.db2.gz ZTEUQJQLWDAMKG-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032727165 1341593303 /nfs/dbraw/zinc/59/33/03/1341593303.db2.gz ZTEUQJQLWDAMKG-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001032839721 1341630941 /nfs/dbraw/zinc/63/09/41/1341630941.db2.gz GGKJBMBGGFDWCN-GGPKGHCWSA-N 2 1 343.515 3.039 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001032839721 1341630943 /nfs/dbraw/zinc/63/09/43/1341630943.db2.gz GGKJBMBGGFDWCN-GGPKGHCWSA-N 2 1 343.515 3.039 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+]2CC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001032839721 1341630945 /nfs/dbraw/zinc/63/09/45/1341630945.db2.gz GGKJBMBGGFDWCN-GGPKGHCWSA-N 2 1 343.515 3.039 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+]2CC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001032839721 1341630946 /nfs/dbraw/zinc/63/09/46/1341630946.db2.gz GGKJBMBGGFDWCN-GGPKGHCWSA-N 2 1 343.515 3.039 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033070968 1341715558 /nfs/dbraw/zinc/71/55/58/1341715558.db2.gz UVJJJTAMCTXZJH-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033070968 1341715560 /nfs/dbraw/zinc/71/55/60/1341715560.db2.gz UVJJJTAMCTXZJH-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033070968 1341715562 /nfs/dbraw/zinc/71/55/62/1341715562.db2.gz UVJJJTAMCTXZJH-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033070967 1341715598 /nfs/dbraw/zinc/71/55/98/1341715598.db2.gz UVJJJTAMCTXZJH-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033070967 1341715599 /nfs/dbraw/zinc/71/55/99/1341715599.db2.gz UVJJJTAMCTXZJH-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033070967 1341715600 /nfs/dbraw/zinc/71/56/00/1341715600.db2.gz UVJJJTAMCTXZJH-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033145570 1341738717 /nfs/dbraw/zinc/73/87/17/1341738717.db2.gz IEOFKDHVYUZPOP-RTBURBONSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033145570 1341738718 /nfs/dbraw/zinc/73/87/18/1341738718.db2.gz IEOFKDHVYUZPOP-RTBURBONSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033145570 1341738719 /nfs/dbraw/zinc/73/87/19/1341738719.db2.gz IEOFKDHVYUZPOP-RTBURBONSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001033467724 1341837718 /nfs/dbraw/zinc/83/77/18/1341837718.db2.gz RBXJILBLWOOSIL-ICSRJNTNSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033470886 1341839493 /nfs/dbraw/zinc/83/94/93/1341839493.db2.gz FOWCLDNMQLYCGF-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033470886 1341839494 /nfs/dbraw/zinc/83/94/94/1341839494.db2.gz FOWCLDNMQLYCGF-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033470886 1341839495 /nfs/dbraw/zinc/83/94/95/1341839495.db2.gz FOWCLDNMQLYCGF-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033470885 1341839734 /nfs/dbraw/zinc/83/97/34/1341839734.db2.gz FOWCLDNMQLYCGF-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033470885 1341839735 /nfs/dbraw/zinc/83/97/35/1341839735.db2.gz FOWCLDNMQLYCGF-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033470885 1341839737 /nfs/dbraw/zinc/83/97/37/1341839737.db2.gz FOWCLDNMQLYCGF-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033699741 1341966576 /nfs/dbraw/zinc/96/65/76/1341966576.db2.gz PQXDBONNXDIMGS-DLBZAZTESA-N 2 1 349.519 3.314 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034012464 1342149196 /nfs/dbraw/zinc/14/91/96/1342149196.db2.gz OZUFVZLIXFEQCM-XLIONFOSSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001034037768 1342177515 /nfs/dbraw/zinc/17/75/15/1342177515.db2.gz FGWUGCAVOJHTQH-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001034037768 1342177518 /nfs/dbraw/zinc/17/75/18/1342177518.db2.gz FGWUGCAVOJHTQH-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001034037768 1342177520 /nfs/dbraw/zinc/17/75/20/1342177520.db2.gz FGWUGCAVOJHTQH-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001034129848 1342258984 /nfs/dbraw/zinc/25/89/84/1342258984.db2.gz DLPRVUTWEHUBGI-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001034129848 1342258988 /nfs/dbraw/zinc/25/89/88/1342258988.db2.gz DLPRVUTWEHUBGI-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001034129848 1342258992 /nfs/dbraw/zinc/25/89/92/1342258992.db2.gz DLPRVUTWEHUBGI-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034204307 1342314837 /nfs/dbraw/zinc/31/48/37/1342314837.db2.gz LQHGXCYWERFAMU-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001034204307 1342314839 /nfs/dbraw/zinc/31/48/39/1342314839.db2.gz LQHGXCYWERFAMU-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001034204307 1342314841 /nfs/dbraw/zinc/31/48/41/1342314841.db2.gz LQHGXCYWERFAMU-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211052 1342321328 /nfs/dbraw/zinc/32/13/28/1342321328.db2.gz LEURAWQOVFDIHX-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034211052 1342321330 /nfs/dbraw/zinc/32/13/30/1342321330.db2.gz LEURAWQOVFDIHX-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034211052 1342321332 /nfs/dbraw/zinc/32/13/32/1342321332.db2.gz LEURAWQOVFDIHX-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034273034 1342364249 /nfs/dbraw/zinc/36/42/49/1342364249.db2.gz YYQIATLFBCPYGZ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034273034 1342364255 /nfs/dbraw/zinc/36/42/55/1342364255.db2.gz YYQIATLFBCPYGZ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034273034 1342364256 /nfs/dbraw/zinc/36/42/56/1342364256.db2.gz YYQIATLFBCPYGZ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034273034 1342364258 /nfs/dbraw/zinc/36/42/58/1342364258.db2.gz YYQIATLFBCPYGZ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001034329978 1342404060 /nfs/dbraw/zinc/40/40/60/1342404060.db2.gz KFTSZSUVMHFMMW-UXHICEINSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034397750 1342465480 /nfs/dbraw/zinc/46/54/80/1342465480.db2.gz LEBPRZBGKVVDIC-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034397750 1342465486 /nfs/dbraw/zinc/46/54/86/1342465486.db2.gz LEBPRZBGKVVDIC-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034397750 1342465490 /nfs/dbraw/zinc/46/54/90/1342465490.db2.gz LEBPRZBGKVVDIC-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC001034491769 1342547867 /nfs/dbraw/zinc/54/78/67/1342547867.db2.gz WVDDOUJAZBHSGH-MRXNPFEDSA-N 2 1 346.519 3.168 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCCC[N@@H+](CCC(C)(C)C)C1 ZINC001034491769 1342547874 /nfs/dbraw/zinc/54/78/74/1342547874.db2.gz WVDDOUJAZBHSGH-MRXNPFEDSA-N 2 1 346.519 3.168 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](CCC2CCCCC2)C1 ZINC001034529911 1342585246 /nfs/dbraw/zinc/58/52/46/1342585246.db2.gz QRFJIZGUTPBNIK-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001034529911 1342585253 /nfs/dbraw/zinc/58/52/53/1342585253.db2.gz QRFJIZGUTPBNIK-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP C[C@H](F)CC[N@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034542866 1342602873 /nfs/dbraw/zinc/60/28/73/1342602873.db2.gz BPMFSQSMTXQWSY-WMZOPIPTSA-N 2 1 349.494 3.081 20 0 EGADMP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001034662188 1342676593 /nfs/dbraw/zinc/67/65/93/1342676593.db2.gz FURFKGONQRUNBE-LNLFQRSKSA-N 2 1 335.536 3.066 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCCC3)CC2)C1 ZINC001034733864 1342727840 /nfs/dbraw/zinc/72/78/40/1342727840.db2.gz FZGIXSPLQXVLKF-IHPCNDPISA-N 2 1 349.563 3.316 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1 ZINC001034736664 1342728983 /nfs/dbraw/zinc/72/89/83/1342728983.db2.gz ZVBVWJGLBPHNQE-IHPCNDPISA-N 2 1 347.547 3.378 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001034738876 1342729887 /nfs/dbraw/zinc/72/98/87/1342729887.db2.gz XBFLCTANJIOKRD-BHIYHBOVSA-N 2 1 335.536 3.068 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC001034810314 1342775523 /nfs/dbraw/zinc/77/55/23/1342775523.db2.gz DSEUCZNSLYGWPU-HXUWFJFHSA-N 2 1 343.515 3.067 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001035028030 1342884962 /nfs/dbraw/zinc/88/49/62/1342884962.db2.gz HYMKWWMEMXIEPQ-QGZVKYPTSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035185649 1343000122 /nfs/dbraw/zinc/00/01/22/1343000122.db2.gz YGXBSKOTDILOCR-IBGZPJMESA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185649 1343000128 /nfs/dbraw/zinc/00/01/28/1343000128.db2.gz YGXBSKOTDILOCR-IBGZPJMESA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185649 1343000131 /nfs/dbraw/zinc/00/01/31/1343000131.db2.gz YGXBSKOTDILOCR-IBGZPJMESA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244223 1343065270 /nfs/dbraw/zinc/06/52/70/1343065270.db2.gz LYTMSORFGAUCST-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)CC2 ZINC001035247232 1343070420 /nfs/dbraw/zinc/07/04/20/1343070420.db2.gz UGHBQSBMDPUWLL-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035247232 1343070424 /nfs/dbraw/zinc/07/04/24/1343070424.db2.gz UGHBQSBMDPUWLL-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035247232 1343070431 /nfs/dbraw/zinc/07/04/31/1343070431.db2.gz UGHBQSBMDPUWLL-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC3(CC[N@@H+](CC)C3)CC2)o1 ZINC001035256736 1343082277 /nfs/dbraw/zinc/08/22/77/1343082277.db2.gz DXBWOHKPMJKREV-UHFFFAOYSA-N 2 1 347.503 3.069 20 0 EGADMP CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC2 ZINC001035256938 1343083088 /nfs/dbraw/zinc/08/30/88/1343083088.db2.gz PCMGOROPOPTYQI-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1[NH2+]CCC1CC1 ZINC001036097012 1343311815 /nfs/dbraw/zinc/31/18/15/1343311815.db2.gz QXBYLQIYSFPLJR-VQIMIIECSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CC1CC1 ZINC001036581651 1343564560 /nfs/dbraw/zinc/56/45/60/1343564560.db2.gz VLQZFAWWOOOSJY-AEFFLSMTSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036755268 1343677622 /nfs/dbraw/zinc/67/76/22/1343677622.db2.gz TWJCGUNLUJGBKA-IEBWSBKVSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@H]21 ZINC001036755268 1343677623 /nfs/dbraw/zinc/67/76/23/1343677623.db2.gz TWJCGUNLUJGBKA-IEBWSBKVSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@H]21 ZINC001036755268 1343677624 /nfs/dbraw/zinc/67/76/24/1343677624.db2.gz TWJCGUNLUJGBKA-IEBWSBKVSA-N 2 1 349.563 3.218 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CC2CCCC2)C1 ZINC001037240757 1344063069 /nfs/dbraw/zinc/06/30/69/1344063069.db2.gz MIJOIDLJDQDZTP-RBUKOAKNSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001038241925 1344339735 /nfs/dbraw/zinc/33/97/35/1344339735.db2.gz XFPJCVXQKXHILJ-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001038241925 1344339739 /nfs/dbraw/zinc/33/97/39/1344339739.db2.gz XFPJCVXQKXHILJ-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCC2(CC2)CC1 ZINC001038241925 1344339742 /nfs/dbraw/zinc/33/97/42/1344339742.db2.gz XFPJCVXQKXHILJ-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP Cc1c(C(=O)NC[C@H]2CC[N@H+]2CC2CCCCC2)ccc2c[nH+]cn21 ZINC001038431029 1344425811 /nfs/dbraw/zinc/42/58/11/1344425811.db2.gz GLCDAJHMSJEGCB-QGZVFWFLSA-N 2 1 340.471 3.027 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001038448558 1344430500 /nfs/dbraw/zinc/43/05/00/1344430500.db2.gz JAIFFMLXOVEHBW-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001038448558 1344430503 /nfs/dbraw/zinc/43/05/03/1344430503.db2.gz JAIFFMLXOVEHBW-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCCC1CCCC1 ZINC001038448558 1344430504 /nfs/dbraw/zinc/43/05/04/1344430504.db2.gz JAIFFMLXOVEHBW-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CC1CCCCCC1)c1ccn2c[nH+]cc2c1 ZINC001038464105 1344435015 /nfs/dbraw/zinc/43/50/15/1344435015.db2.gz ZIKDRAACONDXLA-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP CC1(C)CCC(C[N@H+]2CC[C@H]2CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001038463706 1344435643 /nfs/dbraw/zinc/43/56/43/1344435643.db2.gz VKOKCGXYTKSSQP-SFHVURJKSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+]2CCCC2CCCC2)C1 ZINC001038620261 1344508085 /nfs/dbraw/zinc/50/80/85/1344508085.db2.gz BOPOKDAYHDBVRB-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCCC2CCCC2)C1 ZINC001038620261 1344508087 /nfs/dbraw/zinc/50/80/87/1344508087.db2.gz BOPOKDAYHDBVRB-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@H+]2CCCC2CCCC2)C1 ZINC001038620261 1344508089 /nfs/dbraw/zinc/50/80/89/1344508089.db2.gz BOPOKDAYHDBVRB-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC2CCC(C)CC2)CC1 ZINC001038861867 1344617461 /nfs/dbraw/zinc/61/74/61/1344617461.db2.gz CHBGPYJTBRDCAM-QLOJAFMTSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001039131589 1344809911 /nfs/dbraw/zinc/80/99/11/1344809911.db2.gz QEMGVPKCDCSLGH-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039132535 1344810721 /nfs/dbraw/zinc/81/07/21/1344810721.db2.gz NTDFJBQPXKPVIS-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC001039132535 1344810727 /nfs/dbraw/zinc/81/07/27/1344810727.db2.gz NTDFJBQPXKPVIS-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001039132535 1344810728 /nfs/dbraw/zinc/81/07/28/1344810728.db2.gz NTDFJBQPXKPVIS-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CCC([C@H]2CC[N@@H+](CC3CCCC3)C2)CC1)[NH+](C)C ZINC001039159660 1344845016 /nfs/dbraw/zinc/84/50/16/1344845016.db2.gz UEZMBKDEFNWRNL-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167257 1344854304 /nfs/dbraw/zinc/85/43/04/1344854304.db2.gz PXFDOPWOVCJSCS-UXHICEINSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC001039167257 1344854305 /nfs/dbraw/zinc/85/43/05/1344854305.db2.gz PXFDOPWOVCJSCS-UXHICEINSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC001039167257 1344854307 /nfs/dbraw/zinc/85/43/07/1344854307.db2.gz PXFDOPWOVCJSCS-UXHICEINSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC([C@H]2CC[N@H+](C(C)C)C2)CC1)[NH+]1CCCC1 ZINC001039176237 1344868748 /nfs/dbraw/zinc/86/87/48/1344868748.db2.gz QEIODDDHFSVSNR-VQTJNVASSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039205220 1344916593 /nfs/dbraw/zinc/91/65/93/1344916593.db2.gz NGXXMRJQDROKOP-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039205220 1344916597 /nfs/dbraw/zinc/91/65/97/1344916597.db2.gz NGXXMRJQDROKOP-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039205220 1344916600 /nfs/dbraw/zinc/91/66/00/1344916600.db2.gz NGXXMRJQDROKOP-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243111 1344970161 /nfs/dbraw/zinc/97/01/61/1344970161.db2.gz SNCZIUIZUGLOTA-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001039301655 1345004230 /nfs/dbraw/zinc/00/42/30/1345004230.db2.gz LJNURNDQALCIGO-XVLXNVKGSA-N 2 1 335.536 3.159 20 0 EGADMP CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001039422709 1345061120 /nfs/dbraw/zinc/06/11/20/1345061120.db2.gz LWTLTQIFDGRTJB-HSALFYBXSA-N 2 1 347.547 3.259 20 0 EGADMP CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001039422709 1345061125 /nfs/dbraw/zinc/06/11/25/1345061125.db2.gz LWTLTQIFDGRTJB-HSALFYBXSA-N 2 1 347.547 3.259 20 0 EGADMP CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001039422709 1345061126 /nfs/dbraw/zinc/06/11/26/1345061126.db2.gz LWTLTQIFDGRTJB-HSALFYBXSA-N 2 1 347.547 3.259 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001039448017 1345072621 /nfs/dbraw/zinc/07/26/21/1345072621.db2.gz RCCLUUIXWNQULP-ZCNNSNEGSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001039474561 1345089171 /nfs/dbraw/zinc/08/91/71/1345089171.db2.gz OOOQPELIINANQU-AABGKKOBSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCC1)C2)[NH+](C)C ZINC001040381557 1345466484 /nfs/dbraw/zinc/46/64/84/1345466484.db2.gz XLLKUBGULWTJRW-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001040431379 1345494085 /nfs/dbraw/zinc/49/40/85/1345494085.db2.gz GYNHAJIISZKYIQ-FQEVSTJZSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[N@H+]1CCC[C@]2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001040431379 1345494089 /nfs/dbraw/zinc/49/40/89/1345494089.db2.gz GYNHAJIISZKYIQ-FQEVSTJZSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001040453687 1345508073 /nfs/dbraw/zinc/50/80/73/1345508073.db2.gz QNGKTUBLXBBHQK-NRFANRHFSA-N 2 1 343.515 3.086 20 0 EGADMP CC(C)=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040700021 1345567281 /nfs/dbraw/zinc/56/72/81/1345567281.db2.gz GKNZTPBENBLROQ-LJQANCHMSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)CC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001040732310 1345572158 /nfs/dbraw/zinc/57/21/58/1345572158.db2.gz GSZPRMRFDFDCTJ-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CCC(C)(C)C)C3)C2)CC[N@H+]1C ZINC001041301493 1345696176 /nfs/dbraw/zinc/69/61/76/1345696176.db2.gz MVBNELMKCYDQKJ-WAOWUJCRSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](CCC(C)(C)C)C3)C2)CC[NH+]1C ZINC001041301493 1345696183 /nfs/dbraw/zinc/69/61/83/1345696183.db2.gz MVBNELMKCYDQKJ-WAOWUJCRSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)CC[NH+]1C ZINC001041301493 1345696191 /nfs/dbraw/zinc/69/61/91/1345696191.db2.gz MVBNELMKCYDQKJ-WAOWUJCRSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357367 1345708478 /nfs/dbraw/zinc/70/84/78/1345708478.db2.gz GVBJKXMOEGNNII-PZJWPPBQSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041357367 1345708480 /nfs/dbraw/zinc/70/84/80/1345708480.db2.gz GVBJKXMOEGNNII-PZJWPPBQSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001041357367 1345708484 /nfs/dbraw/zinc/70/84/84/1345708484.db2.gz GVBJKXMOEGNNII-PZJWPPBQSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)C[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424836 1345725784 /nfs/dbraw/zinc/72/57/84/1345725784.db2.gz PKXJTQFPIKQYOB-NRFANRHFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001041424836 1345725788 /nfs/dbraw/zinc/72/57/88/1345725788.db2.gz PKXJTQFPIKQYOB-NRFANRHFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001041424836 1345725790 /nfs/dbraw/zinc/72/57/90/1345725790.db2.gz PKXJTQFPIKQYOB-NRFANRHFSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041845226 1345871551 /nfs/dbraw/zinc/87/15/51/1345871551.db2.gz VPBFIXJCUUKFDT-OAQYLSRUSA-N 2 1 343.515 3.086 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041845949 1345871670 /nfs/dbraw/zinc/87/16/70/1345871670.db2.gz STQAROPCYQQKEF-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001041845949 1345871671 /nfs/dbraw/zinc/87/16/71/1345871671.db2.gz STQAROPCYQQKEF-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001041845949 1345871672 /nfs/dbraw/zinc/87/16/72/1345871672.db2.gz STQAROPCYQQKEF-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042254321 1346007019 /nfs/dbraw/zinc/00/70/19/1346007019.db2.gz KMRDHXKHNWEFJD-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042254321 1346007020 /nfs/dbraw/zinc/00/70/20/1346007020.db2.gz KMRDHXKHNWEFJD-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C[C@@H]1C ZINC001044684372 1346403007 /nfs/dbraw/zinc/40/30/07/1346403007.db2.gz JISTXJUDABWRGH-QFBILLFUSA-N 2 1 344.503 3.051 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C[C@H]1C ZINC001044687000 1346403228 /nfs/dbraw/zinc/40/32/28/1346403228.db2.gz XQTCHRHOOFPJPZ-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP CC(C)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC001044768266 1346424440 /nfs/dbraw/zinc/42/44/40/1346424440.db2.gz UFSNVTAVFSEZMI-IRXDYDNUSA-N 2 1 334.508 3.022 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001045385127 1346579884 /nfs/dbraw/zinc/57/98/84/1346579884.db2.gz FRJAJEDAJIKLJA-PKOBYXMFSA-N 2 1 343.515 3.121 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001045438597 1346594027 /nfs/dbraw/zinc/59/40/27/1346594027.db2.gz SQTXVVNCBCRXCG-SFHVURJKSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001045792920 1346699778 /nfs/dbraw/zinc/69/97/78/1346699778.db2.gz JUBTZNDOIPQVDD-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001045792920 1346699782 /nfs/dbraw/zinc/69/97/82/1346699782.db2.gz JUBTZNDOIPQVDD-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001045792920 1346699784 /nfs/dbraw/zinc/69/97/84/1346699784.db2.gz JUBTZNDOIPQVDD-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C)[NH+](C)C ZINC001045796833 1346700694 /nfs/dbraw/zinc/70/06/94/1346700694.db2.gz BXNYAAFTAYDLLC-SQNIBIBYSA-N 2 1 337.552 3.074 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001045847932 1346719953 /nfs/dbraw/zinc/71/99/53/1346719953.db2.gz YZSMQYYIQDXQSR-SXLOBPIMSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001045847932 1346719955 /nfs/dbraw/zinc/71/99/55/1346719955.db2.gz YZSMQYYIQDXQSR-SXLOBPIMSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001045847932 1346719959 /nfs/dbraw/zinc/71/99/59/1346719959.db2.gz YZSMQYYIQDXQSR-SXLOBPIMSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045939002 1346775153 /nfs/dbraw/zinc/77/51/53/1346775153.db2.gz RLZVWEJYIDDXMI-QKNQBKEWSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001045939002 1346775155 /nfs/dbraw/zinc/77/51/55/1346775155.db2.gz RLZVWEJYIDDXMI-QKNQBKEWSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001045939002 1346775156 /nfs/dbraw/zinc/77/51/56/1346775156.db2.gz RLZVWEJYIDDXMI-QKNQBKEWSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949319 1346784129 /nfs/dbraw/zinc/78/41/29/1346784129.db2.gz DHELIBLZKSZPTD-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001045949319 1346784132 /nfs/dbraw/zinc/78/41/32/1346784132.db2.gz DHELIBLZKSZPTD-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001045949319 1346784134 /nfs/dbraw/zinc/78/41/34/1346784134.db2.gz DHELIBLZKSZPTD-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001045987197 1346828557 /nfs/dbraw/zinc/82/85/57/1346828557.db2.gz LOBOKJSLAUSPHI-FPOVZHCZSA-N 2 1 343.515 3.014 20 0 EGADMP CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001045987197 1346828560 /nfs/dbraw/zinc/82/85/60/1346828560.db2.gz LOBOKJSLAUSPHI-FPOVZHCZSA-N 2 1 343.515 3.014 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CCCC3CCCC3)C2)CC[N@H+]1C ZINC001046330044 1346936420 /nfs/dbraw/zinc/93/64/20/1346936420.db2.gz FCNJJFAIVBRCOK-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001046330044 1346936424 /nfs/dbraw/zinc/93/64/24/1346936424.db2.gz FCNJJFAIVBRCOK-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001046330044 1346936429 /nfs/dbraw/zinc/93/64/29/1346936429.db2.gz FCNJJFAIVBRCOK-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CCC(C)(C)C)C2)cc1 ZINC001046707096 1347068725 /nfs/dbraw/zinc/06/87/25/1347068725.db2.gz OUXDIHLQIQVDPM-NRFANRHFSA-N 2 1 345.531 3.379 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CC3CCC3)C2)o1 ZINC001046863818 1347136722 /nfs/dbraw/zinc/13/67/22/1347136722.db2.gz ILONLALIDICSFV-FQEVSTJZSA-N 2 1 347.503 3.116 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001048282328 1347509306 /nfs/dbraw/zinc/50/93/06/1347509306.db2.gz ZXKGNOSPVISHLE-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001048538460 1347583599 /nfs/dbraw/zinc/58/35/99/1347583599.db2.gz VMVDJKBMIAORBQ-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001048538460 1347583601 /nfs/dbraw/zinc/58/36/01/1347583601.db2.gz VMVDJKBMIAORBQ-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001048538460 1347583603 /nfs/dbraw/zinc/58/36/03/1347583603.db2.gz VMVDJKBMIAORBQ-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048583229 1347605586 /nfs/dbraw/zinc/60/55/86/1347605586.db2.gz GZDLNOOZECDUPS-OMZCGLGVSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC001048583395 1347605772 /nfs/dbraw/zinc/60/57/72/1347605772.db2.gz JIIYVNADEOKVSW-YRPNKDGESA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001048583395 1347605774 /nfs/dbraw/zinc/60/57/74/1347605774.db2.gz JIIYVNADEOKVSW-YRPNKDGESA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001048583395 1347605775 /nfs/dbraw/zinc/60/57/75/1347605775.db2.gz JIIYVNADEOKVSW-YRPNKDGESA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001048618767 1347620481 /nfs/dbraw/zinc/62/04/81/1347620481.db2.gz BUONXYQIPXWXLU-UFYCRDLUSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049476094 1347867765 /nfs/dbraw/zinc/86/77/65/1347867765.db2.gz CARLRVTZSAMFAY-OALUTQOASA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049561536 1347910075 /nfs/dbraw/zinc/91/00/75/1347910075.db2.gz MLFRZURVPLTFTQ-RBUKOAKNSA-N 2 1 340.471 3.122 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049566296 1347913358 /nfs/dbraw/zinc/91/33/58/1347913358.db2.gz BLAGJSFLKXRGDE-RBUKOAKNSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCC(C)C)C1 ZINC001049661963 1347961650 /nfs/dbraw/zinc/96/16/50/1347961650.db2.gz CNFQCKAZIYFIRC-UFYCRDLUSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCC(C)C)C1 ZINC001049661963 1347961653 /nfs/dbraw/zinc/96/16/53/1347961653.db2.gz CNFQCKAZIYFIRC-UFYCRDLUSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCC(C)C)C1 ZINC001049661963 1347961655 /nfs/dbraw/zinc/96/16/55/1347961655.db2.gz CNFQCKAZIYFIRC-UFYCRDLUSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C)[NH+](C)C ZINC001049703659 1347981664 /nfs/dbraw/zinc/98/16/64/1347981664.db2.gz LXKGBBOBAYZDQJ-FGTMMUONSA-N 2 1 337.552 3.074 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCC1CCC1)[NH+](C)C ZINC001049711509 1347986386 /nfs/dbraw/zinc/98/63/86/1347986386.db2.gz MOONIKFQWRGSOL-XUVXKRRUSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049789499 1348023150 /nfs/dbraw/zinc/02/31/50/1348023150.db2.gz AJPVNCUBPKWQIW-VQTJNVASSA-N 2 1 343.515 3.083 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCCCC1 ZINC001049892799 1348096672 /nfs/dbraw/zinc/09/66/72/1348096672.db2.gz AHIBCXHTUCKTLU-WOJBJXKFSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049908352 1348105974 /nfs/dbraw/zinc/10/59/74/1348105974.db2.gz HVHMXJKYRHLOGI-WOJBJXKFSA-N 2 1 343.515 3.083 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001050253655 1348219402 /nfs/dbraw/zinc/21/94/02/1348219402.db2.gz MSIDIMABPFCLSS-FXAWDEMLSA-N 2 1 345.531 3.263 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001050392832 1348248976 /nfs/dbraw/zinc/24/89/76/1348248976.db2.gz IQZXWLNEAIZCPN-BMOGMMAESA-N 2 1 349.563 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC3(C2)CC[NH+](C[C@@H](C)CC)CC3)C1 ZINC001050630178 1348308767 /nfs/dbraw/zinc/30/87/67/1348308767.db2.gz LIVHCQVVAVDTIW-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001079848597 1357400689 /nfs/dbraw/zinc/40/06/89/1357400689.db2.gz CXFHZZNYJSDJKM-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C ZINC001079848597 1357400690 /nfs/dbraw/zinc/40/06/90/1357400690.db2.gz CXFHZZNYJSDJKM-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C ZINC001079848597 1357400693 /nfs/dbraw/zinc/40/06/93/1357400693.db2.gz CXFHZZNYJSDJKM-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1C ZINC001079848527 1357400921 /nfs/dbraw/zinc/40/09/21/1357400921.db2.gz AIICFKKGHHTFRN-KZNAEPCWSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001079848527 1357400925 /nfs/dbraw/zinc/40/09/25/1357400925.db2.gz AIICFKKGHHTFRN-KZNAEPCWSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001079848527 1357400929 /nfs/dbraw/zinc/40/09/29/1357400929.db2.gz AIICFKKGHHTFRN-KZNAEPCWSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447423 1348543984 /nfs/dbraw/zinc/54/39/84/1348543984.db2.gz DVMPCZOZZBSVFN-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052447423 1348543986 /nfs/dbraw/zinc/54/39/86/1348543986.db2.gz DVMPCZOZZBSVFN-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052447423 1348543988 /nfs/dbraw/zinc/54/39/88/1348543988.db2.gz DVMPCZOZZBSVFN-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)CC1)[NH+]1CCCC1 ZINC001052620704 1348598092 /nfs/dbraw/zinc/59/80/92/1348598092.db2.gz RVGANVIZQLKQOA-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CCC2=CCCCC2)CC1 ZINC001052712686 1348644824 /nfs/dbraw/zinc/64/48/24/1348644824.db2.gz NLMRQUZFHDJUAF-AZUAARDMSA-N 2 1 347.547 3.332 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC001052712686 1348644827 /nfs/dbraw/zinc/64/48/27/1348644827.db2.gz NLMRQUZFHDJUAF-AZUAARDMSA-N 2 1 347.547 3.332 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC001052712686 1348644829 /nfs/dbraw/zinc/64/48/29/1348644829.db2.gz NLMRQUZFHDJUAF-AZUAARDMSA-N 2 1 347.547 3.332 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CC3CCCCCC3)CC2)C1 ZINC001052712896 1348645082 /nfs/dbraw/zinc/64/50/82/1348645082.db2.gz PKLHFIMIDFGZAE-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CC3CCCCCC3)CC2)C1 ZINC001052712896 1348645084 /nfs/dbraw/zinc/64/50/84/1348645084.db2.gz PKLHFIMIDFGZAE-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CC3CCCCCC3)CC2)C1 ZINC001052712896 1348645087 /nfs/dbraw/zinc/64/50/87/1348645087.db2.gz PKLHFIMIDFGZAE-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CC3=CCCCC3)CC2)C1 ZINC001052715969 1348645429 /nfs/dbraw/zinc/64/54/29/1348645429.db2.gz KEGMVYVWITUHAI-LJQANCHMSA-N 2 1 347.547 3.189 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CC3=CCCCC3)CC2)C1 ZINC001052715969 1348645432 /nfs/dbraw/zinc/64/54/32/1348645432.db2.gz KEGMVYVWITUHAI-LJQANCHMSA-N 2 1 347.547 3.189 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CC3=CCCCC3)CC2)C1 ZINC001052715969 1348645436 /nfs/dbraw/zinc/64/54/36/1348645436.db2.gz KEGMVYVWITUHAI-LJQANCHMSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052763712 1348668959 /nfs/dbraw/zinc/66/89/59/1348668959.db2.gz JCVPSMGAGRCSQD-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001052763712 1348668961 /nfs/dbraw/zinc/66/89/61/1348668961.db2.gz JCVPSMGAGRCSQD-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001052763712 1348668965 /nfs/dbraw/zinc/66/89/65/1348668965.db2.gz JCVPSMGAGRCSQD-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052765464 1348669858 /nfs/dbraw/zinc/66/98/58/1348669858.db2.gz ZYIASDCGMHYMML-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052765464 1348669860 /nfs/dbraw/zinc/66/98/60/1348669860.db2.gz ZYIASDCGMHYMML-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052765464 1348669863 /nfs/dbraw/zinc/66/98/63/1348669863.db2.gz ZYIASDCGMHYMML-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052765053 1348670256 /nfs/dbraw/zinc/67/02/56/1348670256.db2.gz VLOQZYLUZJURRM-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052765053 1348670259 /nfs/dbraw/zinc/67/02/59/1348670259.db2.gz VLOQZYLUZJURRM-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052765053 1348670260 /nfs/dbraw/zinc/67/02/60/1348670260.db2.gz VLOQZYLUZJURRM-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052955065 1348768334 /nfs/dbraw/zinc/76/83/34/1348768334.db2.gz YGWZEUXWPHVHFB-XLIONFOSSA-N 2 1 345.531 3.379 20 0 EGADMP CC[C@H](F)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052954966 1348768603 /nfs/dbraw/zinc/76/86/03/1348768603.db2.gz XKDUMRMMPJVQSY-RBUKOAKNSA-N 2 1 349.494 3.081 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052956560 1348771238 /nfs/dbraw/zinc/77/12/38/1348771238.db2.gz UUJGMVMDVTYBKD-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052956560 1348771240 /nfs/dbraw/zinc/77/12/40/1348771240.db2.gz UUJGMVMDVTYBKD-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052956560 1348771243 /nfs/dbraw/zinc/77/12/43/1348771243.db2.gz UUJGMVMDVTYBKD-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052959878 1348773000 /nfs/dbraw/zinc/77/30/00/1348773000.db2.gz ZNMSWKRTUPGAHX-QZTJIDSGSA-N 2 1 349.494 3.081 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053042408 1348843880 /nfs/dbraw/zinc/84/38/80/1348843880.db2.gz PSPVPDIRDZFCMD-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053096923 1348926589 /nfs/dbraw/zinc/92/65/89/1348926589.db2.gz BHSIGCXJUSGPRT-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001053096923 1348926594 /nfs/dbraw/zinc/92/65/94/1348926594.db2.gz BHSIGCXJUSGPRT-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001053096923 1348926601 /nfs/dbraw/zinc/92/66/01/1348926601.db2.gz BHSIGCXJUSGPRT-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053107359 1348946746 /nfs/dbraw/zinc/94/67/46/1348946746.db2.gz FWKLYXCQSKMHDR-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001054197614 1349200553 /nfs/dbraw/zinc/20/05/53/1349200553.db2.gz FVEDWQBGIVOFRU-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001054197614 1349200554 /nfs/dbraw/zinc/20/05/54/1349200554.db2.gz FVEDWQBGIVOFRU-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001054197614 1349200558 /nfs/dbraw/zinc/20/05/58/1349200558.db2.gz FVEDWQBGIVOFRU-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246157 1349240258 /nfs/dbraw/zinc/24/02/58/1349240258.db2.gz OZKJCLKZOVTQHZ-CTNGQTDRSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246157 1349240262 /nfs/dbraw/zinc/24/02/62/1349240262.db2.gz OZKJCLKZOVTQHZ-CTNGQTDRSA-N 2 1 343.515 3.014 20 0 EGADMP CC[C@@H](C)C[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cc2C1 ZINC001054266459 1349263829 /nfs/dbraw/zinc/26/38/29/1349263829.db2.gz WXHSTHUPOHESAB-JXXFODFXSA-N 2 1 343.515 3.005 20 0 EGADMP CC[C@@H](C)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cc2C1 ZINC001054266459 1349263832 /nfs/dbraw/zinc/26/38/32/1349263832.db2.gz WXHSTHUPOHESAB-JXXFODFXSA-N 2 1 343.515 3.005 20 0 EGADMP CC[C@@H](C)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cc2C1 ZINC001054266459 1349263833 /nfs/dbraw/zinc/26/38/33/1349263833.db2.gz WXHSTHUPOHESAB-JXXFODFXSA-N 2 1 343.515 3.005 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554429 1357677174 /nfs/dbraw/zinc/67/71/74/1357677174.db2.gz OVNUVQXBENIKAT-WSTZPKSXSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001071547503 1354760163 /nfs/dbraw/zinc/76/01/63/1354760163.db2.gz UWFRBYPITJENKX-ZBFHGGJFSA-N 2 1 337.533 3.193 20 0 EGADMP CCCC[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001071547503 1354760165 /nfs/dbraw/zinc/76/01/65/1354760165.db2.gz UWFRBYPITJENKX-ZBFHGGJFSA-N 2 1 337.533 3.193 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071600635 1354788918 /nfs/dbraw/zinc/78/89/18/1354788918.db2.gz OLAIYKAYOYWLPW-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC3CCC3)C2)ccc2c[nH+]cn21 ZINC001071627390 1354811338 /nfs/dbraw/zinc/81/13/38/1354811338.db2.gz FCFWAXQFXQJCCP-YOEHRIQHSA-N 2 1 340.471 3.026 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CC1CC(C)(C)C1 ZINC001071645584 1354823873 /nfs/dbraw/zinc/82/38/73/1354823873.db2.gz KZTRZXAPKOVNHA-WMZOPIPTSA-N 2 1 347.547 3.020 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183165165 1387270721 /nfs/dbraw/zinc/27/07/21/1387270721.db2.gz QDQWRPKNECDTRP-QLUPPNIVSA-N 2 1 349.563 3.149 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CC1CCCCC1 ZINC001071735338 1354887364 /nfs/dbraw/zinc/88/73/64/1354887364.db2.gz KNISQLFONWMKFL-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CC1=CCCCC1 ZINC001071738962 1354889260 /nfs/dbraw/zinc/88/92/60/1354889260.db2.gz LPTDLXLRGLRTRW-PKOBYXMFSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CCC1CCCC1 ZINC001071822486 1354962182 /nfs/dbraw/zinc/96/21/82/1354962182.db2.gz XSUHZMGOLXLDHV-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CCC1CCCC1 ZINC001071822486 1354962187 /nfs/dbraw/zinc/96/21/87/1354962187.db2.gz XSUHZMGOLXLDHV-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CCC1CCCC1 ZINC001071822486 1354962189 /nfs/dbraw/zinc/96/21/89/1354962189.db2.gz XSUHZMGOLXLDHV-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001071920482 1355025297 /nfs/dbraw/zinc/02/52/97/1355025297.db2.gz SCOFZWFQDLZQHG-UYAOXDASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071953880 1355040184 /nfs/dbraw/zinc/04/01/84/1355040184.db2.gz GUDVAEBNOTVTGR-IEBWSBKVSA-N 2 1 335.536 3.042 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CC1CCC(C)(C)CC1 ZINC001072081019 1355118649 /nfs/dbraw/zinc/11/86/49/1355118649.db2.gz FQWPZLNPHFQTEM-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@H+]1CC1CCC1 ZINC001072095410 1355126440 /nfs/dbraw/zinc/12/64/40/1355126440.db2.gz HUUGXXQMUNJZFD-UZLBHIALSA-N 2 1 343.515 3.131 20 0 EGADMP CC(C)CC[N@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072095771 1355127476 /nfs/dbraw/zinc/12/74/76/1355127476.db2.gz OCCWJYKKFLCVAI-FXAWDEMLSA-N 2 1 345.531 3.377 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001072989926 1355536458 /nfs/dbraw/zinc/53/64/58/1355536458.db2.gz PVROBHVQUODUDJ-MOPGFXCFSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2)[NH+]1CCCC1 ZINC001073460814 1355794515 /nfs/dbraw/zinc/79/45/15/1355794515.db2.gz WGCDSJBISSZELU-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccc(C)cc1)[NH+](C)C ZINC001074028741 1356043077 /nfs/dbraw/zinc/04/30/77/1356043077.db2.gz JGMQSEDQJFOKFY-WOJBJXKFSA-N 2 1 345.531 3.148 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCC2)[C@@H]1C ZINC001074686222 1356224147 /nfs/dbraw/zinc/22/41/47/1356224147.db2.gz ZORYHQNCVMNHID-IHPCNDPISA-N 2 1 349.563 3.409 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCC3)[C@@H]2C)C1 ZINC001074826005 1356256583 /nfs/dbraw/zinc/25/65/83/1356256583.db2.gz QMZYEKWCWUDZBP-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001074832411 1356260164 /nfs/dbraw/zinc/26/01/64/1356260164.db2.gz LXUHJHLHSINJHF-ZULIPRJHSA-N 2 1 349.563 3.266 20 0 EGADMP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)CC1 ZINC001075457051 1356389394 /nfs/dbraw/zinc/38/93/94/1356389394.db2.gz HWHYGZCOPOBRNK-NSHGMRRFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC001075457051 1356389403 /nfs/dbraw/zinc/38/94/03/1356389403.db2.gz HWHYGZCOPOBRNK-NSHGMRRFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC001075457051 1356389405 /nfs/dbraw/zinc/38/94/05/1356389405.db2.gz HWHYGZCOPOBRNK-NSHGMRRFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001099315155 1363745591 /nfs/dbraw/zinc/74/55/91/1363745591.db2.gz BYIFLOFVRREROT-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1 ZINC001099315155 1363745593 /nfs/dbraw/zinc/74/55/93/1363745593.db2.gz BYIFLOFVRREROT-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCCC1 ZINC001099315155 1363745597 /nfs/dbraw/zinc/74/55/97/1363745597.db2.gz BYIFLOFVRREROT-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC(C)(C)C)C[C@H]21 ZINC001084476239 1358222889 /nfs/dbraw/zinc/22/28/89/1358222889.db2.gz PHADDCOLGBXIAN-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001084476239 1358222892 /nfs/dbraw/zinc/22/28/92/1358222892.db2.gz PHADDCOLGBXIAN-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001084476239 1358222894 /nfs/dbraw/zinc/22/28/94/1358222894.db2.gz PHADDCOLGBXIAN-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049701 1358378648 /nfs/dbraw/zinc/37/86/48/1358378648.db2.gz SMWYJDVMXOZOHG-AABGKKOBSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001085049701 1358378650 /nfs/dbraw/zinc/37/86/50/1358378650.db2.gz SMWYJDVMXOZOHG-AABGKKOBSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@H]21 ZINC001085049701 1358378652 /nfs/dbraw/zinc/37/86/52/1358378652.db2.gz SMWYJDVMXOZOHG-AABGKKOBSA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101377 1358391714 /nfs/dbraw/zinc/39/17/14/1358391714.db2.gz HDVAYNQZBYBREY-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001085196956 1358431520 /nfs/dbraw/zinc/43/15/20/1358431520.db2.gz WKJVPNGLCHAWNB-AQNXPRMDSA-N 2 1 349.563 3.457 20 0 EGADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085225379 1358437659 /nfs/dbraw/zinc/43/76/59/1358437659.db2.gz TUTZBSLPXWKBGY-AQNXPRMDSA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085308099 1358461722 /nfs/dbraw/zinc/46/17/22/1358461722.db2.gz CTHYKAJOYZJVSS-AQNXPRMDSA-N 2 1 349.563 3.457 20 0 EGADMP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085308169 1358462054 /nfs/dbraw/zinc/46/20/54/1358462054.db2.gz GMRASAUYROFGBA-QRVBRYPASA-N 2 1 335.536 3.211 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001085331884 1358470250 /nfs/dbraw/zinc/47/02/50/1358470250.db2.gz CLAMJCVJIZRAAJ-DFQSSKMNSA-N 2 1 349.563 3.458 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001085629427 1358646153 /nfs/dbraw/zinc/64/61/53/1358646153.db2.gz UDIKGFBXUOZCAG-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001085629427 1358646156 /nfs/dbraw/zinc/64/61/56/1358646156.db2.gz UDIKGFBXUOZCAG-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001085629427 1358646160 /nfs/dbraw/zinc/64/61/60/1358646160.db2.gz UDIKGFBXUOZCAG-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CC1CCCCC1)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699003 1358693566 /nfs/dbraw/zinc/69/35/66/1358693566.db2.gz CWEXYUCIVRAINE-GOSISDBHSA-N 2 1 340.471 3.061 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CC(CC)CC)C1 ZINC001085779404 1358753356 /nfs/dbraw/zinc/75/33/56/1358753356.db2.gz UWCRZHQEDZTNEG-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC(CC)CC)C1 ZINC001085779404 1358753361 /nfs/dbraw/zinc/75/33/61/1358753361.db2.gz UWCRZHQEDZTNEG-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC(CC)CC)C1 ZINC001085779404 1358753367 /nfs/dbraw/zinc/75/33/67/1358753367.db2.gz UWCRZHQEDZTNEG-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CN(C[C@H]1CC[N@@H+]1CCC1CCCC1)C(=O)c1occc1C[NH+](C)C ZINC001085788968 1358762593 /nfs/dbraw/zinc/76/25/93/1358762593.db2.gz YANFHAKSUJJRQU-GOSISDBHSA-N 2 1 347.503 3.068 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCC1CCCC1)C(=O)c1occc1C[NH+](C)C ZINC001085788968 1358762598 /nfs/dbraw/zinc/76/25/98/1358762598.db2.gz YANFHAKSUJJRQU-GOSISDBHSA-N 2 1 347.503 3.068 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001086175357 1359015344 /nfs/dbraw/zinc/01/53/44/1359015344.db2.gz SMKGIDZKYFMUHZ-SLFFLAALSA-N 2 1 347.547 3.093 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001086364621 1359078385 /nfs/dbraw/zinc/07/83/85/1359078385.db2.gz LHCKXSQNHZZUQX-VAMGGRTRSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086694146 1359187360 /nfs/dbraw/zinc/18/73/60/1359187360.db2.gz FBYSWAGYYPOJHH-XUVXKRRUSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086784796 1359201353 /nfs/dbraw/zinc/20/13/53/1359201353.db2.gz TWFSGEQXKFTMGA-NSHGMRRFSA-N 2 1 349.563 3.314 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086907786 1359236153 /nfs/dbraw/zinc/23/61/53/1359236153.db2.gz BNYSCOREVKADKI-PKOBYXMFSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CC2(CN1C(=O)[C@@H]1CCC[N@H+]1C)CC[NH+](CCC(C)(C)C)CC2 ZINC001086910441 1359238067 /nfs/dbraw/zinc/23/80/67/1359238067.db2.gz TWPKTTFJQOVABP-ROUUACIJSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086921510 1359248463 /nfs/dbraw/zinc/24/84/63/1359248463.db2.gz RJJPEPTWIQPVLH-MOPGFXCFSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001086926711 1359251450 /nfs/dbraw/zinc/25/14/50/1359251450.db2.gz HTCOVHKAMRDFLY-ZWKOTPCHSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C[NH2+]CC2CCCC2)C1 ZINC001087204771 1359321016 /nfs/dbraw/zinc/32/10/16/1359321016.db2.gz MOLWXOSOGFDCQT-UMGGQSCQSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CC1CCC2(CC2)CC1 ZINC001087522870 1359509898 /nfs/dbraw/zinc/50/98/98/1359509898.db2.gz ALRLDSHGJRZPMX-IPMKNSEASA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CC1CCC2(CC2)CC1 ZINC001087522870 1359509902 /nfs/dbraw/zinc/50/99/02/1359509902.db2.gz ALRLDSHGJRZPMX-IPMKNSEASA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CC1CCC2(CC2)CC1 ZINC001087522870 1359509906 /nfs/dbraw/zinc/50/99/06/1359509906.db2.gz ALRLDSHGJRZPMX-IPMKNSEASA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1CCCC1 ZINC001087684932 1359588314 /nfs/dbraw/zinc/58/83/14/1359588314.db2.gz XPOJMSQBXVESDC-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC1CC(C)(C)C1 ZINC001087749902 1359625979 /nfs/dbraw/zinc/62/59/79/1359625979.db2.gz GUBKKRIYGQENEU-RBUKOAKNSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1CC ZINC001087749807 1359626093 /nfs/dbraw/zinc/62/60/93/1359626093.db2.gz AUEQRIUGSIGKIV-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](F)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1CC ZINC001087762733 1359632630 /nfs/dbraw/zinc/63/26/30/1359632630.db2.gz KVSNBLBDPNHHEN-CEXWTWQISA-N 2 1 349.494 3.079 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001088280727 1359825804 /nfs/dbraw/zinc/82/58/04/1359825804.db2.gz YOVPWRKCNJSZIR-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001088327194 1359831626 /nfs/dbraw/zinc/83/16/26/1359831626.db2.gz HSIZVYKUEZEESY-IEBWSBKVSA-N 2 1 335.536 3.163 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CCC3CC3)C2)C1 ZINC001088367466 1359851531 /nfs/dbraw/zinc/85/15/31/1359851531.db2.gz KQJXCGNDHHZHHL-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001088431531 1359899362 /nfs/dbraw/zinc/89/93/62/1359899362.db2.gz YWQBEJRURFLBEE-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCC3CCCCC3)[C@@H]2C)CC[N@H+]1C ZINC001088579586 1359978963 /nfs/dbraw/zinc/97/89/63/1359978963.db2.gz QQASCPZYBBHYKD-BTHPGYMESA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCC3CCCCC3)[C@@H]2C)CC[NH+]1C ZINC001088579586 1359978968 /nfs/dbraw/zinc/97/89/68/1359978968.db2.gz QQASCPZYBBHYKD-BTHPGYMESA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC3CCCCC3)[C@@H]2C)CC[NH+]1C ZINC001088579586 1359978974 /nfs/dbraw/zinc/97/89/74/1359978974.db2.gz QQASCPZYBBHYKD-BTHPGYMESA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC3=CCCCC3)[C@@H]2C)C1 ZINC001088620382 1359992880 /nfs/dbraw/zinc/99/28/80/1359992880.db2.gz HRPWKRHRKAAAAA-HOJAQTOUSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC3=CCCCC3)[C@@H]2C)C1 ZINC001088620382 1359992881 /nfs/dbraw/zinc/99/28/81/1359992881.db2.gz HRPWKRHRKAAAAA-HOJAQTOUSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC3=CCCCC3)[C@@H]2C)C1 ZINC001088620382 1359992883 /nfs/dbraw/zinc/99/28/83/1359992883.db2.gz HRPWKRHRKAAAAA-HOJAQTOUSA-N 2 1 347.547 3.044 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1CCC1CCCC1 ZINC001088749117 1360030183 /nfs/dbraw/zinc/03/01/83/1360030183.db2.gz OWRPEUKZJYHUAF-BEFAXECRSA-N 2 1 340.471 3.107 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)CC[N@H+]1CCCC1CCCC1 ZINC001089006892 1360134916 /nfs/dbraw/zinc/13/49/16/1360134916.db2.gz DVDJMRIBWUHTDN-LMNJBCLMSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC[NH+]1CCCC1CCCC1 ZINC001089006892 1360134919 /nfs/dbraw/zinc/13/49/19/1360134919.db2.gz DVDJMRIBWUHTDN-LMNJBCLMSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC[NH+]1CCCC1CCCC1 ZINC001089006892 1360134921 /nfs/dbraw/zinc/13/49/21/1360134921.db2.gz DVDJMRIBWUHTDN-LMNJBCLMSA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001089060909 1360152277 /nfs/dbraw/zinc/15/22/77/1360152277.db2.gz MQDAVTWNCSELEH-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H]1C ZINC001089060909 1360152280 /nfs/dbraw/zinc/15/22/80/1360152280.db2.gz MQDAVTWNCSELEH-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)[C@@H]1C ZINC001089060909 1360152284 /nfs/dbraw/zinc/15/22/84/1360152284.db2.gz MQDAVTWNCSELEH-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001089261858 1360290132 /nfs/dbraw/zinc/29/01/32/1360290132.db2.gz RPTCMVCJNGKVTR-QUCCMNQESA-N 2 1 343.515 3.156 20 0 EGADMP C[N@@H+](C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1)CC1CCCCCC1 ZINC001089261611 1360290155 /nfs/dbraw/zinc/29/01/55/1360290155.db2.gz OIBXHUFMNUTLCC-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382497 1360383726 /nfs/dbraw/zinc/38/37/26/1360383726.db2.gz RTHNTJKKBFAZBO-QZTJIDSGSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089382497 1360383734 /nfs/dbraw/zinc/38/37/34/1360383734.db2.gz RTHNTJKKBFAZBO-QZTJIDSGSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089382497 1360383738 /nfs/dbraw/zinc/38/37/38/1360383738.db2.gz RTHNTJKKBFAZBO-QZTJIDSGSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089381817 1360384478 /nfs/dbraw/zinc/38/44/78/1360384478.db2.gz OQYFEPHJKQUMIW-OALUTQOASA-N 2 1 349.563 3.432 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089381817 1360384480 /nfs/dbraw/zinc/38/44/80/1360384480.db2.gz OQYFEPHJKQUMIW-OALUTQOASA-N 2 1 349.563 3.432 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089381817 1360384483 /nfs/dbraw/zinc/38/44/83/1360384483.db2.gz OQYFEPHJKQUMIW-OALUTQOASA-N 2 1 349.563 3.432 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401309 1360400971 /nfs/dbraw/zinc/40/09/71/1360400971.db2.gz RRRZCXRCYIQZLW-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089401309 1360400972 /nfs/dbraw/zinc/40/09/72/1360400972.db2.gz RRRZCXRCYIQZLW-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC(C)(C)C1 ZINC001089401309 1360400974 /nfs/dbraw/zinc/40/09/74/1360400974.db2.gz RRRZCXRCYIQZLW-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089486712 1360466877 /nfs/dbraw/zinc/46/68/77/1360466877.db2.gz BUIHSXSAFUXREN-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089486712 1360466879 /nfs/dbraw/zinc/46/68/79/1360466879.db2.gz BUIHSXSAFUXREN-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089486712 1360466882 /nfs/dbraw/zinc/46/68/82/1360466882.db2.gz BUIHSXSAFUXREN-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089647297 1360560382 /nfs/dbraw/zinc/56/03/82/1360560382.db2.gz UXRJWZHWYJWUPN-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001089647297 1360560383 /nfs/dbraw/zinc/56/03/83/1360560383.db2.gz UXRJWZHWYJWUPN-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001089647297 1360560386 /nfs/dbraw/zinc/56/03/86/1360560386.db2.gz UXRJWZHWYJWUPN-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CC1 ZINC001089663022 1360573557 /nfs/dbraw/zinc/57/35/57/1360573557.db2.gz HUMICGCKZFTKOC-RTBURBONSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001089663022 1360573562 /nfs/dbraw/zinc/57/35/62/1360573562.db2.gz HUMICGCKZFTKOC-RTBURBONSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001089663022 1360573566 /nfs/dbraw/zinc/57/35/66/1360573566.db2.gz HUMICGCKZFTKOC-RTBURBONSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC2CC2)CC1 ZINC001089718862 1360620564 /nfs/dbraw/zinc/62/05/64/1360620564.db2.gz WBMBUQBBYFRIAR-LJQANCHMSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001184694832 1387512068 /nfs/dbraw/zinc/51/20/68/1387512068.db2.gz ZQUBGBVOWCRZJW-SJORKVTESA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)C)CC2 ZINC001094585067 1361871077 /nfs/dbraw/zinc/87/10/77/1361871077.db2.gz LVCXWJQQAGVMOT-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)C)CC2 ZINC001094585067 1361871080 /nfs/dbraw/zinc/87/10/80/1361871080.db2.gz LVCXWJQQAGVMOT-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)C)CC2 ZINC001094585067 1361871084 /nfs/dbraw/zinc/87/10/84/1361871084.db2.gz LVCXWJQQAGVMOT-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001095405064 1362129835 /nfs/dbraw/zinc/12/98/35/1362129835.db2.gz MIJJNIFHXABHIP-FYQPLNBISA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001095405064 1362129837 /nfs/dbraw/zinc/12/98/37/1362129837.db2.gz MIJJNIFHXABHIP-FYQPLNBISA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001095405064 1362129839 /nfs/dbraw/zinc/12/98/39/1362129839.db2.gz MIJJNIFHXABHIP-FYQPLNBISA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001095416256 1362132953 /nfs/dbraw/zinc/13/29/53/1362132953.db2.gz TUWCUYJGUDFRHX-SQNIBIBYSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001095415305 1362133116 /nfs/dbraw/zinc/13/31/16/1362133116.db2.gz UJRGEWYAZNOPPE-MHORFTMASA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001095415235 1362133235 /nfs/dbraw/zinc/13/32/35/1362133235.db2.gz QICZVHCIFZUHBK-QYZOEREBSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001097063066 1362829450 /nfs/dbraw/zinc/82/94/50/1362829450.db2.gz DQKPLOOHFOXDIV-ZRNYENFQSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001097063066 1362829455 /nfs/dbraw/zinc/82/94/55/1362829455.db2.gz DQKPLOOHFOXDIV-ZRNYENFQSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001097063066 1362829460 /nfs/dbraw/zinc/82/94/60/1362829460.db2.gz DQKPLOOHFOXDIV-ZRNYENFQSA-N 2 1 347.547 3.161 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NC2(C)CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001324334119 1387596059 /nfs/dbraw/zinc/59/60/59/1387596059.db2.gz KAQLCJNBKXPSIV-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCCC2)C1 ZINC001098394650 1363315940 /nfs/dbraw/zinc/31/59/40/1363315940.db2.gz PHAZCNFOZABHLM-WTGUMLROSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCCCC2)C1 ZINC001098394650 1363315943 /nfs/dbraw/zinc/31/59/43/1363315943.db2.gz PHAZCNFOZABHLM-WTGUMLROSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCCCC2)C1 ZINC001098394650 1363315947 /nfs/dbraw/zinc/31/59/47/1363315947.db2.gz PHAZCNFOZABHLM-WTGUMLROSA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH2+][C@H](C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1)C1CCCC1 ZINC001098812260 1363477785 /nfs/dbraw/zinc/47/77/85/1363477785.db2.gz AMTBFZMJEMEAHS-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001099075156 1363609754 /nfs/dbraw/zinc/60/97/54/1363609754.db2.gz VINQZFUNNMYEAU-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@H+](CCCC1CCCC1)C2 ZINC001099163716 1363664570 /nfs/dbraw/zinc/66/45/70/1363664570.db2.gz LPRYYVOJYOBQRE-FPOVZHCZSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@@H+](CCCC1CCCC1)C2 ZINC001099163716 1363664573 /nfs/dbraw/zinc/66/45/73/1363664573.db2.gz LPRYYVOJYOBQRE-FPOVZHCZSA-N 2 1 347.547 3.023 20 0 EGADMP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001099170932 1363669143 /nfs/dbraw/zinc/66/91/43/1363669143.db2.gz LTIWJGWXNFQHAW-FNYRVFDFSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001099170932 1363669147 /nfs/dbraw/zinc/66/91/47/1363669147.db2.gz LTIWJGWXNFQHAW-FNYRVFDFSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001099170932 1363669149 /nfs/dbraw/zinc/66/91/49/1363669149.db2.gz LTIWJGWXNFQHAW-FNYRVFDFSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001099170932 1363669152 /nfs/dbraw/zinc/66/91/52/1363669152.db2.gz LTIWJGWXNFQHAW-FNYRVFDFSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099235144 1363706308 /nfs/dbraw/zinc/70/63/08/1363706308.db2.gz POZIWVUXWVIYCP-PWBPZBFBSA-N 2 1 349.563 3.434 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099239606 1363708106 /nfs/dbraw/zinc/70/81/06/1363708106.db2.gz HNBQWXLHEVMMOB-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001099239606 1363708109 /nfs/dbraw/zinc/70/81/09/1363708109.db2.gz HNBQWXLHEVMMOB-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001099239606 1363708115 /nfs/dbraw/zinc/70/81/15/1363708115.db2.gz HNBQWXLHEVMMOB-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001099302554 1363738758 /nfs/dbraw/zinc/73/87/58/1363738758.db2.gz BOARPZOVJUGNSB-WIYYLYMNSA-N 2 1 345.531 3.090 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001099302554 1363738763 /nfs/dbraw/zinc/73/87/63/1363738763.db2.gz BOARPZOVJUGNSB-WIYYLYMNSA-N 2 1 345.531 3.090 20 0 EGADMP C[NH+](C)CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001099309153 1363741643 /nfs/dbraw/zinc/74/16/43/1363741643.db2.gz AIIAHSJQPWLNDT-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1C/C=C/Cl ZINC001099310669 1363743691 /nfs/dbraw/zinc/74/36/91/1363743691.db2.gz SGLGLPBZFWWWEF-BPLPYTOXSA-N 2 1 343.943 3.078 20 0 EGADMP CCC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001099334716 1363755860 /nfs/dbraw/zinc/75/58/60/1363755860.db2.gz MDDRRJSXCMNSGZ-YZBXUTEPSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001099334716 1363755861 /nfs/dbraw/zinc/75/58/61/1363755861.db2.gz MDDRRJSXCMNSGZ-YZBXUTEPSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001099334716 1363755865 /nfs/dbraw/zinc/75/58/65/1363755865.db2.gz MDDRRJSXCMNSGZ-YZBXUTEPSA-N 2 1 349.563 3.291 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCC(C)C ZINC001099340410 1363760559 /nfs/dbraw/zinc/76/05/59/1363760559.db2.gz SVSFQVZRQSBQKW-GOSISDBHSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCC(C)C ZINC001099340410 1363760561 /nfs/dbraw/zinc/76/05/61/1363760561.db2.gz SVSFQVZRQSBQKW-GOSISDBHSA-N 2 1 348.535 3.235 20 0 EGADMP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340775 1363761312 /nfs/dbraw/zinc/76/13/12/1363761312.db2.gz YWWPZKYCVGESFV-GOSISDBHSA-N 2 1 348.535 3.235 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340775 1363761313 /nfs/dbraw/zinc/76/13/13/1363761313.db2.gz YWWPZKYCVGESFV-GOSISDBHSA-N 2 1 348.535 3.235 20 0 EGADMP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001099364353 1363774362 /nfs/dbraw/zinc/77/43/62/1363774362.db2.gz JOPKQDDFIPPBST-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001099364353 1363774367 /nfs/dbraw/zinc/77/43/67/1363774367.db2.gz JOPKQDDFIPPBST-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001099364353 1363774369 /nfs/dbraw/zinc/77/43/69/1363774369.db2.gz JOPKQDDFIPPBST-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001099364353 1363774371 /nfs/dbraw/zinc/77/43/71/1363774371.db2.gz JOPKQDDFIPPBST-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099520893 1363831107 /nfs/dbraw/zinc/83/11/07/1363831107.db2.gz PFJADNSWMTUKLR-YRPNKDGESA-N 2 1 349.563 3.077 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001100319329 1364079312 /nfs/dbraw/zinc/07/93/12/1364079312.db2.gz HRKCZMNRRDNQEE-XIMCWOHTSA-N 2 1 335.536 3.090 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001100406726 1364104126 /nfs/dbraw/zinc/10/41/26/1364104126.db2.gz KLDBOGLCXQYKLH-MHJFOBGBSA-N 2 1 347.547 3.234 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001100456945 1364120750 /nfs/dbraw/zinc/12/07/50/1364120750.db2.gz JPQIEZLJQIMUNY-SYJJWHGVSA-N 2 1 349.494 3.101 20 0 EGADMP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+](CC3CCCCCC3)C[C@@]2(C)C1 ZINC001101344800 1364519370 /nfs/dbraw/zinc/51/93/70/1364519370.db2.gz DWAFXSNHRLHVDM-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2C[N@H+](C(C)C)C[C@@]2(C)C1 ZINC001101428848 1364559425 /nfs/dbraw/zinc/55/94/25/1364559425.db2.gz PSLXEJZRGYKEGS-QUCCMNQESA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001101546667 1364610791 /nfs/dbraw/zinc/61/07/91/1364610791.db2.gz LCLFEEONMRKLDK-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001101546666 1364611077 /nfs/dbraw/zinc/61/10/77/1364611077.db2.gz LCLFEEONMRKLDK-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001101983822 1364799444 /nfs/dbraw/zinc/79/94/44/1364799444.db2.gz MZUXDFVGQJXNTH-DFPBPIFESA-N 2 1 349.563 3.147 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H](C)C1 ZINC001101983822 1364799447 /nfs/dbraw/zinc/79/94/47/1364799447.db2.gz MZUXDFVGQJXNTH-DFPBPIFESA-N 2 1 349.563 3.147 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](C)C1 ZINC001101983822 1364799449 /nfs/dbraw/zinc/79/94/49/1364799449.db2.gz MZUXDFVGQJXNTH-DFPBPIFESA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001102040554 1364820649 /nfs/dbraw/zinc/82/06/49/1364820649.db2.gz NKEXOCDNDJOYHF-PFRNKHFKSA-N 2 1 349.563 3.005 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001102040554 1364820653 /nfs/dbraw/zinc/82/06/53/1364820653.db2.gz NKEXOCDNDJOYHF-PFRNKHFKSA-N 2 1 349.563 3.005 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC001102040554 1364820656 /nfs/dbraw/zinc/82/06/56/1364820656.db2.gz NKEXOCDNDJOYHF-PFRNKHFKSA-N 2 1 349.563 3.005 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001102184909 1364922123 /nfs/dbraw/zinc/92/21/23/1364922123.db2.gz YJKKYZWDOPAFLJ-RTBURBONSA-N 2 1 349.563 3.149 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C ZINC001102368522 1365026792 /nfs/dbraw/zinc/02/67/92/1365026792.db2.gz YBWFTGBJHGLHHE-QWFCFKBJSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001102368522 1365026797 /nfs/dbraw/zinc/02/67/97/1365026797.db2.gz YBWFTGBJHGLHHE-QWFCFKBJSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001102368522 1365026798 /nfs/dbraw/zinc/02/67/98/1365026798.db2.gz YBWFTGBJHGLHHE-QWFCFKBJSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596561 1365130686 /nfs/dbraw/zinc/13/06/86/1365130686.db2.gz MIRZFLSJODFWJK-RTBURBONSA-N 2 1 337.552 3.127 20 0 EGADMP CCCCC[N@H+]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102600147 1365131193 /nfs/dbraw/zinc/13/11/93/1365131193.db2.gz PCWGKRCBPZFIFU-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102600147 1365131195 /nfs/dbraw/zinc/13/11/95/1365131195.db2.gz PCWGKRCBPZFIFU-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001324669091 1387725732 /nfs/dbraw/zinc/72/57/32/1387725732.db2.gz LAGFYDDSJJAUEY-HXUWFJFHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001324669091 1387725736 /nfs/dbraw/zinc/72/57/36/1387725736.db2.gz LAGFYDDSJJAUEY-HXUWFJFHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001324669091 1387725741 /nfs/dbraw/zinc/72/57/41/1387725741.db2.gz LAGFYDDSJJAUEY-HXUWFJFHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103140193 1365403490 /nfs/dbraw/zinc/40/34/90/1365403490.db2.gz RISFRHLXALOYCJ-QLTKYKRFSA-N 2 1 337.552 3.147 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103140192 1365403721 /nfs/dbraw/zinc/40/37/21/1365403721.db2.gz RISFRHLXALOYCJ-FMABSTRRSA-N 2 1 337.552 3.147 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001103233784 1365446810 /nfs/dbraw/zinc/44/68/10/1365446810.db2.gz RMXGPPDAMJJPDG-IAGOWNOFSA-N 2 1 342.487 3.068 20 0 EGADMP CC(C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001103360639 1365517375 /nfs/dbraw/zinc/51/73/75/1365517375.db2.gz NQENMQXWGCDBSS-QWFCFKBJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001103360639 1365517379 /nfs/dbraw/zinc/51/73/79/1365517379.db2.gz NQENMQXWGCDBSS-QWFCFKBJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001103360639 1365517381 /nfs/dbraw/zinc/51/73/81/1365517381.db2.gz NQENMQXWGCDBSS-QWFCFKBJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CCC2CC2)C[C@H]1C ZINC001103495781 1365597383 /nfs/dbraw/zinc/59/73/83/1365597383.db2.gz SUFPFDGYZUSPRY-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001103495781 1365597385 /nfs/dbraw/zinc/59/73/85/1365597385.db2.gz SUFPFDGYZUSPRY-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001103495781 1365597387 /nfs/dbraw/zinc/59/73/87/1365597387.db2.gz SUFPFDGYZUSPRY-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C)C(C)C ZINC001103544492 1365624991 /nfs/dbraw/zinc/62/49/91/1365624991.db2.gz VBGUGPBTRNLEQO-GUDVDZBRSA-N 2 1 339.568 3.083 20 0 EGADMP CC(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001103750889 1365763939 /nfs/dbraw/zinc/76/39/39/1365763939.db2.gz UASRQCCEAQQHDM-YLJYHZDGSA-N 2 1 345.531 3.092 20 0 EGADMP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104185229 1365941381 /nfs/dbraw/zinc/94/13/81/1365941381.db2.gz AREMEMJVJAKSCZ-AHSYYPKJSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104291879 1365977837 /nfs/dbraw/zinc/97/78/37/1365977837.db2.gz YHZMOVCCOXXZCK-VAMGGRTRSA-N 2 1 349.563 3.290 20 0 EGADMP CCCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394308 1366443450 /nfs/dbraw/zinc/44/34/50/1366443450.db2.gz TWYANZAURLADIS-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCC2CCC2)[C@H](C)C1 ZINC001106119512 1366612774 /nfs/dbraw/zinc/61/27/74/1366612774.db2.gz CFDBRYDAVSOUGB-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001106665374 1366768624 /nfs/dbraw/zinc/76/86/24/1366768624.db2.gz UMBJRAVLAYWCFT-QWFCFKBJSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001106765793 1366792372 /nfs/dbraw/zinc/79/23/72/1366792372.db2.gz USAARAAXQRKSNC-ZMGAVLDPSA-N 2 1 346.519 3.012 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107443123 1366965049 /nfs/dbraw/zinc/96/50/49/1366965049.db2.gz ZUYVVNGNTZILGT-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107443123 1366965050 /nfs/dbraw/zinc/96/50/50/1366965050.db2.gz ZUYVVNGNTZILGT-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107443123 1366965052 /nfs/dbraw/zinc/96/50/52/1366965052.db2.gz ZUYVVNGNTZILGT-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC1CCC1)CC2)[NH+](C)C ZINC001107451647 1366968512 /nfs/dbraw/zinc/96/85/12/1366968512.db2.gz ZXCRGSQXLPXQQC-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)C)CC2 ZINC001107454314 1366969135 /nfs/dbraw/zinc/96/91/35/1366969135.db2.gz BLEYTCMJJOPDGS-YLJYHZDGSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)C)CC2 ZINC001107454314 1366969137 /nfs/dbraw/zinc/96/91/37/1366969137.db2.gz BLEYTCMJJOPDGS-YLJYHZDGSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)C)CC2 ZINC001107454314 1366969138 /nfs/dbraw/zinc/96/91/38/1366969138.db2.gz BLEYTCMJJOPDGS-YLJYHZDGSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189317544 1366987089 /nfs/dbraw/zinc/98/70/89/1366987089.db2.gz PQCUEBKMFCOHQH-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189317544 1366987092 /nfs/dbraw/zinc/98/70/92/1366987092.db2.gz PQCUEBKMFCOHQH-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546923 1367037067 /nfs/dbraw/zinc/03/70/67/1367037067.db2.gz TZQUHLRXICSRBV-BAPOODPFSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546923 1367037072 /nfs/dbraw/zinc/03/70/72/1367037072.db2.gz TZQUHLRXICSRBV-BAPOODPFSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546923 1367037074 /nfs/dbraw/zinc/03/70/74/1367037074.db2.gz TZQUHLRXICSRBV-BAPOODPFSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001107615426 1367074883 /nfs/dbraw/zinc/07/48/83/1367074883.db2.gz AGPSDLNOKKJCCF-UYAOXDASSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CCC)CCC[C@@H]12 ZINC001107615426 1367074886 /nfs/dbraw/zinc/07/48/86/1367074886.db2.gz AGPSDLNOKKJCCF-UYAOXDASSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)CC[N@@H+](C)CCC)CCC[C@@H]12 ZINC001107615426 1367074890 /nfs/dbraw/zinc/07/48/90/1367074890.db2.gz AGPSDLNOKKJCCF-UYAOXDASSA-N 2 1 337.552 3.269 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001109371390 1367091848 /nfs/dbraw/zinc/09/18/48/1367091848.db2.gz BGFZIEBSKOJVBL-FTVQKVBOSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001109371390 1367091856 /nfs/dbraw/zinc/09/18/56/1367091856.db2.gz BGFZIEBSKOJVBL-FTVQKVBOSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001109371390 1367091864 /nfs/dbraw/zinc/09/18/64/1367091864.db2.gz BGFZIEBSKOJVBL-FTVQKVBOSA-N 2 1 347.547 3.329 20 0 EGADMP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCCC2)CCC1 ZINC001109403639 1367106162 /nfs/dbraw/zinc/10/61/62/1367106162.db2.gz QOPLOIGPVAQMFB-QYZOEREBSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001189771684 1367106367 /nfs/dbraw/zinc/10/63/67/1367106367.db2.gz RQSGFLATTPJOGZ-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC(C)(C)C)CCC1 ZINC001109403447 1367106452 /nfs/dbraw/zinc/10/64/52/1367106452.db2.gz HLXDSRGZDBQRDL-IKGGRYGDSA-N 2 1 335.536 3.019 20 0 EGADMP CC[N@@H+](CCNc1cc[nH+]cc1C(F)(F)F)CCC(F)(F)F ZINC001186089511 1387866292 /nfs/dbraw/zinc/86/62/92/1387866292.db2.gz SSEGWPNVUFCFCZ-UHFFFAOYSA-N 2 1 329.288 3.209 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH+](C)CCCC2CCC2)C1 ZINC001190653110 1367317794 /nfs/dbraw/zinc/31/77/94/1367317794.db2.gz BYWFUCGJOAKIJP-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1 ZINC001190653110 1367317800 /nfs/dbraw/zinc/31/78/00/1367317800.db2.gz BYWFUCGJOAKIJP-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001190653110 1367317804 /nfs/dbraw/zinc/31/78/04/1367317804.db2.gz BYWFUCGJOAKIJP-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP Cc1c(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cnn1-c1cc[nH+]cc1 ZINC001324982157 1387869868 /nfs/dbraw/zinc/86/98/68/1387869868.db2.gz JZFSFINVDSJSCQ-UHFFFAOYSA-N 2 1 349.438 3.198 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC(C)(C)C)CC1 ZINC001109879936 1367378672 /nfs/dbraw/zinc/37/86/72/1367378672.db2.gz SNZFXSNAZTWBJN-QYZOEREBSA-N 2 1 349.563 3.266 20 0 EGADMP CCc1ccccc1C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001191018534 1367402925 /nfs/dbraw/zinc/40/29/25/1367402925.db2.gz AVAKKPMQEDFCPK-IBGZPJMESA-N 2 1 345.531 3.012 20 0 EGADMP CCc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001191018534 1367402929 /nfs/dbraw/zinc/40/29/29/1367402929.db2.gz AVAKKPMQEDFCPK-IBGZPJMESA-N 2 1 345.531 3.012 20 0 EGADMP CCc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001191018534 1367402934 /nfs/dbraw/zinc/40/29/34/1367402934.db2.gz AVAKKPMQEDFCPK-IBGZPJMESA-N 2 1 345.531 3.012 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191507044 1367517180 /nfs/dbraw/zinc/51/71/80/1367517180.db2.gz GVFINDSZGZDFMH-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191543783 1367525163 /nfs/dbraw/zinc/52/51/63/1367525163.db2.gz SKOPKXHGOGHLPB-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191544076 1367525204 /nfs/dbraw/zinc/52/52/04/1367525204.db2.gz YBPUIUHXLFUQGE-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001108764833 1367580805 /nfs/dbraw/zinc/58/08/05/1367580805.db2.gz YATLUTMOMNFADF-KSZLIROESA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001108831462 1367624544 /nfs/dbraw/zinc/62/45/44/1367624544.db2.gz GDUPYYYXXQCUPO-QHWWWDCYSA-N 2 1 335.536 3.042 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001191921351 1367639108 /nfs/dbraw/zinc/63/91/08/1367639108.db2.gz ARNPMZAVWUEVQU-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001191921351 1367639116 /nfs/dbraw/zinc/63/91/16/1367639116.db2.gz ARNPMZAVWUEVQU-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001191921351 1367639119 /nfs/dbraw/zinc/63/91/19/1367639119.db2.gz ARNPMZAVWUEVQU-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110566113 1367836861 /nfs/dbraw/zinc/83/68/61/1367836861.db2.gz ZJGBFPNDEXLWPN-GJGSYKPXSA-N 2 1 347.547 3.329 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671464 1367846458 /nfs/dbraw/zinc/84/64/58/1367846458.db2.gz KXPNVYBOZBLFCY-KAGICYHLSA-N 2 1 335.536 3.138 20 0 EGADMP CC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192671464 1367846462 /nfs/dbraw/zinc/84/64/62/1367846462.db2.gz KXPNVYBOZBLFCY-KAGICYHLSA-N 2 1 335.536 3.138 20 0 EGADMP CC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192671464 1367846469 /nfs/dbraw/zinc/84/64/69/1367846469.db2.gz KXPNVYBOZBLFCY-KAGICYHLSA-N 2 1 335.536 3.138 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192680407 1367848762 /nfs/dbraw/zinc/84/87/62/1367848762.db2.gz QCJPVNNLFIKLFX-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917710 1367904052 /nfs/dbraw/zinc/90/40/52/1367904052.db2.gz RCRKTOIDBKHPEN-RBUKOAKNSA-N 2 1 339.568 3.322 20 0 EGADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1)C1CC1 ZINC001110666919 1367906538 /nfs/dbraw/zinc/90/65/38/1367906538.db2.gz YMRNQJPNBNFURG-ZRNYENFQSA-N 2 1 347.547 3.019 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001110736546 1367954511 /nfs/dbraw/zinc/95/45/11/1367954511.db2.gz BWHLEMNYADIAKG-DALDDJKVSA-N 2 1 335.536 3.185 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001110736546 1367954517 /nfs/dbraw/zinc/95/45/17/1367954517.db2.gz BWHLEMNYADIAKG-DALDDJKVSA-N 2 1 335.536 3.185 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001110736546 1367954521 /nfs/dbraw/zinc/95/45/21/1367954521.db2.gz BWHLEMNYADIAKG-DALDDJKVSA-N 2 1 335.536 3.185 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCC(C)C)C1 ZINC001193389698 1368017579 /nfs/dbraw/zinc/01/75/79/1368017579.db2.gz GMNYMBQVEWJAJN-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC(C)C)C1 ZINC001193389698 1368017584 /nfs/dbraw/zinc/01/75/84/1368017584.db2.gz GMNYMBQVEWJAJN-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)C)C1 ZINC001193389698 1368017585 /nfs/dbraw/zinc/01/75/85/1368017585.db2.gz GMNYMBQVEWJAJN-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@@H+](C)C[C@H](F)CC)C1 ZINC001193424471 1368027075 /nfs/dbraw/zinc/02/70/75/1368027075.db2.gz MNCFJFGGEGUTRV-QZTJIDSGSA-N 2 1 343.531 3.169 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CCC2CCCCC2)C1 ZINC001193600966 1368070840 /nfs/dbraw/zinc/07/08/40/1368070840.db2.gz PJCZXTGBCSYSJZ-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CCC2CCCCC2)C1 ZINC001193600966 1368070846 /nfs/dbraw/zinc/07/08/46/1368070846.db2.gz PJCZXTGBCSYSJZ-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC001193600966 1368070850 /nfs/dbraw/zinc/07/08/50/1368070850.db2.gz PJCZXTGBCSYSJZ-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980148 1368132743 /nfs/dbraw/zinc/13/27/43/1368132743.db2.gz ROURECCIBWJGPQ-PILAGYSTSA-N 2 1 349.906 3.074 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001111097172 1368157709 /nfs/dbraw/zinc/15/77/09/1368157709.db2.gz NUHSNZQGSKPUIW-MANSERQUSA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150643 1368166635 /nfs/dbraw/zinc/16/66/35/1368166635.db2.gz QGZGDFULKSKHOV-QRVBRYPASA-N 2 1 346.519 3.274 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150643 1368166639 /nfs/dbraw/zinc/16/66/39/1368166639.db2.gz QGZGDFULKSKHOV-QRVBRYPASA-N 2 1 346.519 3.274 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ccccc1C ZINC001111169456 1368179513 /nfs/dbraw/zinc/17/95/13/1368179513.db2.gz UVRHCWAGFYJMLZ-LFGUQSLTSA-N 2 1 343.515 3.119 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001194265404 1368219157 /nfs/dbraw/zinc/21/91/57/1368219157.db2.gz CVFANMPDTFVGEE-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001194265404 1368219161 /nfs/dbraw/zinc/21/91/61/1368219161.db2.gz CVFANMPDTFVGEE-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001194265404 1368219165 /nfs/dbraw/zinc/21/91/65/1368219165.db2.gz CVFANMPDTFVGEE-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274457 1368221824 /nfs/dbraw/zinc/22/18/24/1368221824.db2.gz IAYRJHYAUOGICL-NHQAVIFJSA-N 2 1 343.515 3.178 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274457 1368221827 /nfs/dbraw/zinc/22/18/27/1368221827.db2.gz IAYRJHYAUOGICL-NHQAVIFJSA-N 2 1 343.515 3.178 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275721 1368222706 /nfs/dbraw/zinc/22/27/06/1368222706.db2.gz XMJAKSMETXHZGS-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP C[N@@H+](CCC(C)(C)C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429883 1368259289 /nfs/dbraw/zinc/25/92/89/1368259289.db2.gz OSHIJEUCZSOUFY-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CC(C)C ZINC001111307200 1368262016 /nfs/dbraw/zinc/26/20/16/1368262016.db2.gz BTDDESISKHJWNP-MANSERQUSA-N 2 1 337.552 3.122 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)CC(C)C ZINC001111307200 1368262019 /nfs/dbraw/zinc/26/20/19/1368262019.db2.gz BTDDESISKHJWNP-MANSERQUSA-N 2 1 337.552 3.122 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CC(C)C ZINC001111307200 1368262025 /nfs/dbraw/zinc/26/20/25/1368262025.db2.gz BTDDESISKHJWNP-MANSERQUSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111416528 1368303566 /nfs/dbraw/zinc/30/35/66/1368303566.db2.gz PNCXKFJTHGAVLQ-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111466368 1368311220 /nfs/dbraw/zinc/31/12/20/1368311220.db2.gz SODAOIOUDSKFMJ-CUDHKJQZSA-N 2 1 343.515 3.118 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111466368 1368311226 /nfs/dbraw/zinc/31/12/26/1368311226.db2.gz SODAOIOUDSKFMJ-CUDHKJQZSA-N 2 1 343.515 3.118 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111466368 1368311230 /nfs/dbraw/zinc/31/12/30/1368311230.db2.gz SODAOIOUDSKFMJ-CUDHKJQZSA-N 2 1 343.515 3.118 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001186420737 1387939312 /nfs/dbraw/zinc/93/93/12/1387939312.db2.gz ROQYAJQUPHVQEL-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001111817789 1368480309 /nfs/dbraw/zinc/48/03/09/1368480309.db2.gz CCCQEZWZLYPPCE-RXVVDRJESA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001111817789 1368480311 /nfs/dbraw/zinc/48/03/11/1368480311.db2.gz CCCQEZWZLYPPCE-RXVVDRJESA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001111817789 1368480314 /nfs/dbraw/zinc/48/03/14/1368480314.db2.gz CCCQEZWZLYPPCE-RXVVDRJESA-N 2 1 349.563 3.412 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001195845790 1368501729 /nfs/dbraw/zinc/50/17/29/1368501729.db2.gz NOVBDJPPUQALNL-WAYWQWQTSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111858289 1368509275 /nfs/dbraw/zinc/50/92/75/1368509275.db2.gz XSEIIBZCUXRXHF-AQIYZVDXSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)C[C@H](C)n2ccnc2CC)CC1 ZINC001195899827 1368512782 /nfs/dbraw/zinc/51/27/82/1368512782.db2.gz FYIPZHUKWQGOCK-DKFQHHCZSA-N 2 1 346.519 3.287 20 0 EGADMP CC/C=C/CC[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001195899827 1368512785 /nfs/dbraw/zinc/51/27/85/1368512785.db2.gz FYIPZHUKWQGOCK-DKFQHHCZSA-N 2 1 346.519 3.287 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001195899827 1368512791 /nfs/dbraw/zinc/51/27/91/1368512791.db2.gz FYIPZHUKWQGOCK-DKFQHHCZSA-N 2 1 346.519 3.287 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001111870590 1368518007 /nfs/dbraw/zinc/51/80/07/1368518007.db2.gz FKWNEXMHIHNJSH-DGICPSGQSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001111870590 1368518009 /nfs/dbraw/zinc/51/80/09/1368518009.db2.gz FKWNEXMHIHNJSH-DGICPSGQSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001111870590 1368518017 /nfs/dbraw/zinc/51/80/17/1368518017.db2.gz FKWNEXMHIHNJSH-DGICPSGQSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001196163467 1368559545 /nfs/dbraw/zinc/55/95/45/1368559545.db2.gz OTBDRRBEPBZWSC-SFFCAUCYSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[NH+]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001196163467 1368559548 /nfs/dbraw/zinc/55/95/48/1368559548.db2.gz OTBDRRBEPBZWSC-SFFCAUCYSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[NH+]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001196163467 1368559549 /nfs/dbraw/zinc/55/95/49/1368559549.db2.gz OTBDRRBEPBZWSC-SFFCAUCYSA-N 2 1 335.536 3.140 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCCN([C@@H](C)c2cccc(F)c2)CC1 ZINC001196340124 1368592682 /nfs/dbraw/zinc/59/26/82/1368592682.db2.gz FAUVHIQAZBPREC-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001196340124 1368592686 /nfs/dbraw/zinc/59/26/86/1368592686.db2.gz FAUVHIQAZBPREC-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001196340124 1368592691 /nfs/dbraw/zinc/59/26/91/1368592691.db2.gz FAUVHIQAZBPREC-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001196340124 1368592692 /nfs/dbraw/zinc/59/26/92/1368592692.db2.gz FAUVHIQAZBPREC-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001196889409 1368707298 /nfs/dbraw/zinc/70/72/98/1368707298.db2.gz CVNAAZZFKAOBQK-LJQANCHMSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001196889409 1368707301 /nfs/dbraw/zinc/70/73/01/1368707301.db2.gz CVNAAZZFKAOBQK-LJQANCHMSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001196889409 1368707307 /nfs/dbraw/zinc/70/73/07/1368707307.db2.gz CVNAAZZFKAOBQK-LJQANCHMSA-N 2 1 337.552 3.223 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCCN(C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001197125854 1368749468 /nfs/dbraw/zinc/74/94/68/1368749468.db2.gz NATJSJVPZKEOHA-DLBZAZTESA-N 2 1 346.519 3.046 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CCC[N@@H+](CC2CCCC2)CC1)C(C)C ZINC001197478563 1368823055 /nfs/dbraw/zinc/82/30/55/1368823055.db2.gz YIBGCUHNSILSNU-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CCC[N@@H+](CCCCCF)CC1)C(C)C ZINC001197484153 1368824388 /nfs/dbraw/zinc/82/43/88/1368824388.db2.gz BIDXHYMNAHXKQB-SFHVURJKSA-N 2 1 343.531 3.027 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[NH+](Cc2ccccc2C(C)C)CC1 ZINC001197706410 1368877828 /nfs/dbraw/zinc/87/78/28/1368877828.db2.gz HQRAHECGVSNSCJ-UHFFFAOYSA-N 2 1 345.531 3.186 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[N@H+](Cc2ccccc2C(C)C)CC1 ZINC001197706410 1368877832 /nfs/dbraw/zinc/87/78/32/1368877832.db2.gz HQRAHECGVSNSCJ-UHFFFAOYSA-N 2 1 345.531 3.186 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2ccccc2C(C)C)CC1 ZINC001197706410 1368877837 /nfs/dbraw/zinc/87/78/37/1368877837.db2.gz HQRAHECGVSNSCJ-UHFFFAOYSA-N 2 1 345.531 3.186 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](C[C@H](C)CC)CC1 ZINC001197794920 1368898971 /nfs/dbraw/zinc/89/89/71/1368898971.db2.gz POESVFFDLLHWLN-LJQANCHMSA-N 2 1 339.568 3.469 20 0 EGADMP C[C@H](c1ccccc1F)[N@@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197879634 1368917948 /nfs/dbraw/zinc/91/79/48/1368917948.db2.gz KQBIQFQKWIBUFT-QGZVFWFLSA-N 2 1 349.494 3.153 20 0 EGADMP C[C@H](c1ccccc1F)[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197879634 1368917949 /nfs/dbraw/zinc/91/79/49/1368917949.db2.gz KQBIQFQKWIBUFT-QGZVFWFLSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC001197898887 1368921660 /nfs/dbraw/zinc/92/16/60/1368921660.db2.gz HITUUPRKXGEEFW-HXUWFJFHSA-N 2 1 345.531 3.404 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@H](CC)c2ccccc2)CC1 ZINC001197898887 1368921662 /nfs/dbraw/zinc/92/16/62/1368921662.db2.gz HITUUPRKXGEEFW-HXUWFJFHSA-N 2 1 345.531 3.404 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@H+]([C@H](CC)c2ccccc2)CC1 ZINC001197898887 1368921666 /nfs/dbraw/zinc/92/16/66/1368921666.db2.gz HITUUPRKXGEEFW-HXUWFJFHSA-N 2 1 345.531 3.404 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001325437822 1387972060 /nfs/dbraw/zinc/97/20/60/1387972060.db2.gz LYDMRNFCFFTOGF-FUHWJXTLSA-N 2 1 339.568 3.227 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198242950 1368987903 /nfs/dbraw/zinc/98/79/03/1368987903.db2.gz BGHIYEBEDDXTBO-PLNGDYQASA-N 2 1 335.536 3.143 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001198259871 1368991593 /nfs/dbraw/zinc/99/15/93/1368991593.db2.gz SHLKCLBGFMQVCG-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001198259871 1368991599 /nfs/dbraw/zinc/99/15/99/1368991599.db2.gz SHLKCLBGFMQVCG-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001198259871 1368991607 /nfs/dbraw/zinc/99/16/07/1368991607.db2.gz SHLKCLBGFMQVCG-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([C@@H]2CCC[NH+](CC)CC2)CC1 ZINC001186598060 1387981856 /nfs/dbraw/zinc/98/18/56/1387981856.db2.gz NVUUAXQJFIWDLR-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC([C@@H]2CCC[N@H+](CC)CC2)CC1 ZINC001186598060 1387981860 /nfs/dbraw/zinc/98/18/60/1387981860.db2.gz NVUUAXQJFIWDLR-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC([C@@H]2CCC[N@@H+](CC)CC2)CC1 ZINC001186598060 1387981862 /nfs/dbraw/zinc/98/18/62/1387981862.db2.gz NVUUAXQJFIWDLR-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+](CC3CC3)CC2)CC1 ZINC001186605559 1387983961 /nfs/dbraw/zinc/98/39/61/1387983961.db2.gz PRXTXSHICAGWEI-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@H+](CC3CC3)CC2)CC1 ZINC001186605559 1387983964 /nfs/dbraw/zinc/98/39/64/1387983964.db2.gz PRXTXSHICAGWEI-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC001186605559 1387983966 /nfs/dbraw/zinc/98/39/66/1387983966.db2.gz PRXTXSHICAGWEI-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001186605937 1387984865 /nfs/dbraw/zinc/98/48/65/1387984865.db2.gz WMACOWWLXLRHPA-LJQANCHMSA-N 2 1 349.563 3.245 20 0 EGADMP CC/C=C/CC[NH+]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001113156405 1369233558 /nfs/dbraw/zinc/23/35/58/1369233558.db2.gz CWNSVZABXWZUMQ-SNAWJCMRSA-N 2 1 335.536 3.142 20 0 EGADMP CCCCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001113252376 1369293321 /nfs/dbraw/zinc/29/33/21/1369293321.db2.gz LQILFNNDJWROLU-LJQANCHMSA-N 2 1 335.536 3.118 20 0 EGADMP CCCCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001113252376 1369293327 /nfs/dbraw/zinc/29/33/27/1369293327.db2.gz LQILFNNDJWROLU-LJQANCHMSA-N 2 1 335.536 3.118 20 0 EGADMP CCCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001200578262 1369393973 /nfs/dbraw/zinc/39/39/73/1369393973.db2.gz QCJUIQIYKJRFHI-GOSISDBHSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCCC(C)(C)C)CC1 ZINC001113402927 1369400798 /nfs/dbraw/zinc/40/07/98/1369400798.db2.gz LLCZCJGFGLNYQC-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](CCCC(C)(C)C)CC1 ZINC001113439626 1369430083 /nfs/dbraw/zinc/43/00/83/1369430083.db2.gz LQEZHJHHTTZYMG-UHFFFAOYSA-N 2 1 339.568 3.469 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001113441738 1369431500 /nfs/dbraw/zinc/43/15/00/1369431500.db2.gz QNNJTHWVWNRLGQ-GNISGLHKSA-N 2 1 337.552 3.243 20 0 EGADMP CCC[N@H+](C)CCC(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC001113571585 1369497762 /nfs/dbraw/zinc/49/77/62/1369497762.db2.gz WMDZHFXWADYXQE-IBGZPJMESA-N 2 1 349.494 3.153 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC001113571585 1369497765 /nfs/dbraw/zinc/49/77/65/1369497765.db2.gz WMDZHFXWADYXQE-IBGZPJMESA-N 2 1 349.494 3.153 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001201230442 1369500149 /nfs/dbraw/zinc/50/01/49/1369500149.db2.gz RHZGZZXIYSKGRI-PSCPARJHSA-N 2 1 347.547 3.330 20 0 EGADMP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001201399946 1369537143 /nfs/dbraw/zinc/53/71/43/1369537143.db2.gz LPBFWEVVUFPLGO-SFFCAUCYSA-N 2 1 335.536 3.044 20 0 EGADMP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](C[C@H]2CC=CCC2)CC3)n1 ZINC001201417344 1369541528 /nfs/dbraw/zinc/54/15/28/1369541528.db2.gz SNJXUXZYWNDFFB-SFHVURJKSA-N 2 1 328.504 3.207 20 0 EGADMP Cn1ccc(C[N@H+]2CCCC23CC[NH+](C[C@H]2CC=CCC2)CC3)n1 ZINC001201417344 1369541532 /nfs/dbraw/zinc/54/15/32/1369541532.db2.gz SNJXUXZYWNDFFB-SFHVURJKSA-N 2 1 328.504 3.207 20 0 EGADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](CC(C)C)CC3)C2)c1 ZINC001201470655 1369551516 /nfs/dbraw/zinc/55/15/16/1369551516.db2.gz KMIHFVSYHKOQAY-UHFFFAOYSA-N 2 1 332.488 3.018 20 0 EGADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](CC(C)C)CC3)C2)c1 ZINC001201470655 1369551524 /nfs/dbraw/zinc/55/15/24/1369551524.db2.gz KMIHFVSYHKOQAY-UHFFFAOYSA-N 2 1 332.488 3.018 20 0 EGADMP FC(F)(F)CC[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001202329452 1369740316 /nfs/dbraw/zinc/74/03/16/1369740316.db2.gz SNPBJAIZHBHLRL-UHFFFAOYSA-N 2 1 327.394 3.322 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001202707655 1369859542 /nfs/dbraw/zinc/85/95/42/1369859542.db2.gz GFJVWGJDQNTGQN-UHFFFAOYSA-N 2 1 348.535 3.413 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001202707665 1369859952 /nfs/dbraw/zinc/85/99/52/1369859952.db2.gz GMKBLWWWWNZGRB-VOTSOKGWSA-N 2 1 346.519 3.334 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC([NH2+]C[C@H](C)CC(C)C)CC1 ZINC001202947435 1369933468 /nfs/dbraw/zinc/93/34/68/1369933468.db2.gz PJUUSQBVSZDRDZ-QGZVFWFLSA-N 2 1 348.535 3.235 20 0 EGADMP CCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203102630 1369983984 /nfs/dbraw/zinc/98/39/84/1369983984.db2.gz ICUZTQJGWGHZRL-DLBZAZTESA-N 2 1 335.536 3.066 20 0 EGADMP CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203104034 1369984595 /nfs/dbraw/zinc/98/45/95/1369984595.db2.gz PRSWGJQUPQNMGM-QZTJIDSGSA-N 2 1 349.563 3.457 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC([NH2+]CC[C@@H](C)F)CC1)c1ccccc1 ZINC001203313514 1370078733 /nfs/dbraw/zinc/07/87/33/1370078733.db2.gz SCZDKYFXOZADCN-APWZRJJASA-N 2 1 349.494 3.008 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001203442367 1370128737 /nfs/dbraw/zinc/12/87/37/1370128737.db2.gz JMXZXBIXISEQGE-UHFFFAOYSA-N 2 1 345.531 3.116 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]([NH2+]CCC(C)C)C12CCC2 ZINC001203490631 1370143432 /nfs/dbraw/zinc/14/34/32/1370143432.db2.gz DDKCEGNZIUHIAX-ROUUACIJSA-N 2 1 346.519 3.035 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001114988922 1370194312 /nfs/dbraw/zinc/19/43/12/1370194312.db2.gz NCCDZRDCNREISL-RKMUZANASA-N 2 1 349.563 3.146 20 0 EGADMP COc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001203819721 1370277384 /nfs/dbraw/zinc/27/73/84/1370277384.db2.gz ZHGHJZAUMDAILQ-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP COc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001203819721 1370277386 /nfs/dbraw/zinc/27/73/86/1370277386.db2.gz ZHGHJZAUMDAILQ-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP COc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001203819721 1370277387 /nfs/dbraw/zinc/27/73/87/1370277387.db2.gz ZHGHJZAUMDAILQ-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP COc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001203819721 1370277390 /nfs/dbraw/zinc/27/73/90/1370277390.db2.gz ZHGHJZAUMDAILQ-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC001203891542 1370301257 /nfs/dbraw/zinc/30/12/57/1370301257.db2.gz UOLKQHSPAMMQHE-IBGZPJMESA-N 2 1 344.499 3.235 20 0 EGADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC001203891542 1370301262 /nfs/dbraw/zinc/30/12/62/1370301262.db2.gz UOLKQHSPAMMQHE-IBGZPJMESA-N 2 1 344.499 3.235 20 0 EGADMP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001203952882 1370327304 /nfs/dbraw/zinc/32/73/04/1370327304.db2.gz FJWZZKBQXGVHRU-CALCHBBNSA-N 2 1 328.481 3.321 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001203952882 1370327308 /nfs/dbraw/zinc/32/73/08/1370327308.db2.gz FJWZZKBQXGVHRU-CALCHBBNSA-N 2 1 328.481 3.321 20 0 EGADMP COc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001203952882 1370327313 /nfs/dbraw/zinc/32/73/13/1370327313.db2.gz FJWZZKBQXGVHRU-CALCHBBNSA-N 2 1 328.481 3.321 20 0 EGADMP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001203952882 1370327317 /nfs/dbraw/zinc/32/73/17/1370327317.db2.gz FJWZZKBQXGVHRU-CALCHBBNSA-N 2 1 328.481 3.321 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccn3)C[C@H]21 ZINC001204060919 1370364362 /nfs/dbraw/zinc/36/43/62/1370364362.db2.gz JDCFHPURENSYRZ-DUXKGJEZSA-N 2 1 336.483 3.209 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccn3)C[C@H]21 ZINC001204060919 1370364366 /nfs/dbraw/zinc/36/43/66/1370364366.db2.gz JDCFHPURENSYRZ-DUXKGJEZSA-N 2 1 336.483 3.209 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC001204060919 1370364369 /nfs/dbraw/zinc/36/43/69/1370364369.db2.gz JDCFHPURENSYRZ-DUXKGJEZSA-N 2 1 336.483 3.209 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC001204060919 1370364374 /nfs/dbraw/zinc/36/43/74/1370364374.db2.gz JDCFHPURENSYRZ-DUXKGJEZSA-N 2 1 336.483 3.209 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)cc1 ZINC001204267001 1370427081 /nfs/dbraw/zinc/42/70/81/1370427081.db2.gz CJDMADMBYSRBLV-IBGZPJMESA-N 2 1 339.483 3.402 20 0 EGADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)c(C)o1)C2 ZINC001204532569 1370506883 /nfs/dbraw/zinc/50/68/83/1370506883.db2.gz BADLOQJLHGOMPE-ICSRJNTNSA-N 2 1 332.488 3.077 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)c(C)o1)C2 ZINC001204532569 1370506886 /nfs/dbraw/zinc/50/68/86/1370506886.db2.gz BADLOQJLHGOMPE-ICSRJNTNSA-N 2 1 332.488 3.077 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(C)c(C)o1)C2 ZINC001204532569 1370506887 /nfs/dbraw/zinc/50/68/87/1370506887.db2.gz BADLOQJLHGOMPE-ICSRJNTNSA-N 2 1 332.488 3.077 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(C)c(C)o1)C2 ZINC001204532569 1370506891 /nfs/dbraw/zinc/50/68/91/1370506891.db2.gz BADLOQJLHGOMPE-ICSRJNTNSA-N 2 1 332.488 3.077 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115537134 1370534364 /nfs/dbraw/zinc/53/43/64/1370534364.db2.gz XWMPEQSNQGMHCD-OALUTQOASA-N 2 1 347.547 3.236 20 0 EGADMP CCSc1ncc2cccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)n21 ZINC001204748998 1370564565 /nfs/dbraw/zinc/56/45/65/1370564565.db2.gz WAEOQTJFAOAUIP-UHFFFAOYSA-N 2 1 344.528 3.412 20 0 EGADMP Cc1cccc(C[N@@H+]2CCO[C@H](CC[NH3+])C2)c1OCc1ccccc1 ZINC001204756061 1370567749 /nfs/dbraw/zinc/56/77/49/1370567749.db2.gz KPDOBIOPOMEAOJ-HXUWFJFHSA-N 2 1 340.467 3.124 20 0 EGADMP Cc1cccc(C[N@H+]2CCO[C@H](CC[NH3+])C2)c1OCc1ccccc1 ZINC001204756061 1370567762 /nfs/dbraw/zinc/56/77/62/1370567762.db2.gz KPDOBIOPOMEAOJ-HXUWFJFHSA-N 2 1 340.467 3.124 20 0 EGADMP Cc1cc(C[N@@H+]2CCO[C@@H](CC[NH3+])C2)ccc1Oc1ccc(F)cc1 ZINC001204755203 1370567828 /nfs/dbraw/zinc/56/78/28/1370567828.db2.gz DJSZJSOXOMWUSF-IBGZPJMESA-N 2 1 344.430 3.476 20 0 EGADMP Cc1cc(C[N@H+]2CCO[C@@H](CC[NH3+])C2)ccc1Oc1ccc(F)cc1 ZINC001204755203 1370567834 /nfs/dbraw/zinc/56/78/34/1370567834.db2.gz DJSZJSOXOMWUSF-IBGZPJMESA-N 2 1 344.430 3.476 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCC3CC3)CCCCC2)C1 ZINC001115571722 1370574029 /nfs/dbraw/zinc/57/40/29/1370574029.db2.gz MAXJRAYSDJUMRK-LJQANCHMSA-N 2 1 349.563 3.173 20 0 EGADMP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC001115572957 1370574974 /nfs/dbraw/zinc/57/49/74/1370574974.db2.gz BBNQUCMQONMULN-SJORKVTESA-N 2 1 346.519 3.215 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001115591725 1370592418 /nfs/dbraw/zinc/59/24/18/1370592418.db2.gz BLEWAPZCUJXMSJ-QZTJIDSGSA-N 2 1 335.536 3.212 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001115592158 1370593030 /nfs/dbraw/zinc/59/30/30/1370593030.db2.gz WPDHYXHFHHLWJT-RTBURBONSA-N 2 1 349.563 3.458 20 0 EGADMP C[N@@H+](CCC(=O)NCC1([NH2+]CC2CC2)CCCCC1)C1CCCCC1 ZINC001115648470 1370636961 /nfs/dbraw/zinc/63/69/61/1370636961.db2.gz RWHHUMHBBXXWQY-UHFFFAOYSA-N 2 1 349.563 3.460 20 0 EGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205219271 1370684870 /nfs/dbraw/zinc/68/48/70/1370684870.db2.gz BNQPFGPFJTUKIK-FQEVSTJZSA-N 2 1 329.488 3.141 20 0 EGADMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@@](O)(C[NH3+])CC3)s2)cc1 ZINC001205219707 1370685009 /nfs/dbraw/zinc/68/50/09/1370685009.db2.gz FTTUDXZOMMUDBO-IBGZPJMESA-N 2 1 346.496 3.099 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)CC1 ZINC001205247414 1370694746 /nfs/dbraw/zinc/69/47/46/1370694746.db2.gz HEVXPSCVJROKOQ-FQEVSTJZSA-N 2 1 346.421 3.308 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccccc2-c2ccc(F)cc2F)CC1 ZINC001205249318 1370695439 /nfs/dbraw/zinc/69/54/39/1370695439.db2.gz VVLPKZIHNNSIHS-HXUWFJFHSA-N 2 1 346.421 3.308 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCC1([NH2+]Cc2ccsc2)CCCCC1 ZINC001115729443 1370710696 /nfs/dbraw/zinc/71/06/96/1370710696.db2.gz GBIANHVTRQGBJM-INIZCTEOSA-N 2 1 349.544 3.141 20 0 EGADMP CC[C@@H](C)C[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCCCC1 ZINC001115730978 1370713824 /nfs/dbraw/zinc/71/38/24/1370713824.db2.gz WPOIEWYMSPSWAJ-QGZVFWFLSA-N 2 1 339.568 3.419 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2c(Br)[nH]c3ccccc32)C[C@H]1C[NH3+] ZINC001205303171 1370714013 /nfs/dbraw/zinc/71/40/13/1370714013.db2.gz AHKXGRYJWXVLDP-VXGBXAGGSA-N 2 1 336.277 3.347 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c(Br)[nH]c3ccccc32)C[C@H]1C[NH3+] ZINC001205303171 1370714018 /nfs/dbraw/zinc/71/40/18/1370714018.db2.gz AHKXGRYJWXVLDP-VXGBXAGGSA-N 2 1 336.277 3.347 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCCC(C)C)CC1 ZINC001205420449 1370749338 /nfs/dbraw/zinc/74/93/38/1370749338.db2.gz UVYZMDMJFKQQMI-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001115769143 1370753631 /nfs/dbraw/zinc/75/36/31/1370753631.db2.gz XRWKTIUSJIVIJW-OALUTQOASA-N 2 1 347.547 3.212 20 0 EGADMP CC[C@H](C)C[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205462183 1370763166 /nfs/dbraw/zinc/76/31/66/1370763166.db2.gz UURURBZLEYTSDQ-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205462181 1370763650 /nfs/dbraw/zinc/76/36/50/1370763650.db2.gz UURURBZLEYTSDQ-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001205483929 1370769089 /nfs/dbraw/zinc/76/90/89/1370769089.db2.gz YLYJBQCZVAFRCP-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCn1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)cn1 ZINC001205528802 1370782859 /nfs/dbraw/zinc/78/28/59/1370782859.db2.gz RLSOGGZLPGTQQM-UHFFFAOYSA-N 2 1 344.528 3.453 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](CCc2ccccc2Br)CC1 ZINC001205537156 1370783917 /nfs/dbraw/zinc/78/39/17/1370783917.db2.gz DKKKBIMMFLFQEP-HNNXBMFYSA-N 2 1 329.257 3.145 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CCc2cccc(Br)c2)CC1 ZINC001205537543 1370784444 /nfs/dbraw/zinc/78/44/44/1370784444.db2.gz IBWCDYOCWOGYJQ-OAHLLOKOSA-N 2 1 329.257 3.145 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC001205545487 1370787029 /nfs/dbraw/zinc/78/70/29/1370787029.db2.gz IAEQDVOBKBIDBL-PMACEKPBSA-N 2 1 333.495 3.194 20 0 EGADMP [NH3+]C[C@]1(F)CCCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001205545487 1370787031 /nfs/dbraw/zinc/78/70/31/1370787031.db2.gz IAEQDVOBKBIDBL-PMACEKPBSA-N 2 1 333.495 3.194 20 0 EGADMP [NH3+]C[C@]1(F)CCCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001205545487 1370787038 /nfs/dbraw/zinc/78/70/38/1370787038.db2.gz IAEQDVOBKBIDBL-PMACEKPBSA-N 2 1 333.495 3.194 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(Br)cc2F)CC1 ZINC001205545361 1370787274 /nfs/dbraw/zinc/78/72/74/1370787274.db2.gz FCLIEILNGBCVHA-AWEZNQCLSA-N 2 1 333.220 3.241 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(Br)cc2F)CC1 ZINC001205545361 1370787278 /nfs/dbraw/zinc/78/72/78/1370787278.db2.gz FCLIEILNGBCVHA-AWEZNQCLSA-N 2 1 333.220 3.241 20 0 EGADMP Cc1cc(N2CCCCC2)[nH+]cc1-c1ccc(N2CC[NH2+]CC2)cc1 ZINC001205558167 1370791602 /nfs/dbraw/zinc/79/16/02/1370791602.db2.gz NAXMOSZDCQMEOQ-UHFFFAOYSA-N 2 1 336.483 3.457 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001205586168 1370800781 /nfs/dbraw/zinc/80/07/81/1370800781.db2.gz OUWADQAQCKFMBL-UHFFFAOYSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1cc(Br)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1O ZINC001205591255 1370802603 /nfs/dbraw/zinc/80/26/03/1370802603.db2.gz IPWVRMQQIZTUJW-OAHLLOKOSA-N 2 1 345.256 3.116 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(-c2ccccc2)cn1 ZINC001205591132 1370802766 /nfs/dbraw/zinc/80/27/66/1370802766.db2.gz FFLQGLRQFHNCSL-FQEVSTJZSA-N 2 1 343.446 3.410 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(Cl)c1OC ZINC001205618687 1370813215 /nfs/dbraw/zinc/81/32/15/1370813215.db2.gz YEJQJQVQJZMNMS-OLZOCXBDSA-N 2 1 326.868 3.164 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cc(Br)cnc2Cl)CC[C@H]1C[NH3+] ZINC001205618744 1370813382 /nfs/dbraw/zinc/81/33/82/1370813382.db2.gz YQCIAJMBXBJJDH-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc(Br)cnc2Cl)CC[C@H]1C[NH3+] ZINC001205618744 1370813385 /nfs/dbraw/zinc/81/33/85/1370813385.db2.gz YQCIAJMBXBJJDH-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP COc1cc(Br)cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205638852 1370822974 /nfs/dbraw/zinc/82/29/74/1370822974.db2.gz SPBIGHZZZWHNII-GXTWGEPZSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cccnc2OCc2ccccc2)CC[C@@H]1C[NH3+] ZINC001205654460 1370829788 /nfs/dbraw/zinc/82/97/88/1370829788.db2.gz WXKFSVBDIXUZSK-PKOBYXMFSA-N 2 1 339.483 3.467 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(Cl)cc1C ZINC001205677865 1370839559 /nfs/dbraw/zinc/83/95/59/1370839559.db2.gz IWTKBGQYPVTTPO-LJQANCHMSA-N 2 1 337.939 3.496 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cccc(-c3ccc(F)cc3F)c2)C1 ZINC001205726551 1370853059 /nfs/dbraw/zinc/85/30/59/1370853059.db2.gz USXMYNQXPUNOFF-HXUWFJFHSA-N 2 1 346.421 3.308 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2cccc(Br)c2)CCC1(F)F ZINC001205734259 1370854583 /nfs/dbraw/zinc/85/45/83/1370854583.db2.gz CWAWFZNSTHVNTQ-CYBMUJFWSA-N 2 1 347.247 3.298 20 0 EGADMP Cc1ccccc1C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001205740595 1370856600 /nfs/dbraw/zinc/85/66/00/1370856600.db2.gz JRZQQSIAIJJEEU-UHFFFAOYSA-N 2 1 337.511 3.245 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCc1ccccc1Br ZINC001205901200 1370905438 /nfs/dbraw/zinc/90/54/38/1370905438.db2.gz BSSPAQMRRNGXAP-DZGCQCFKSA-N 2 1 325.294 3.441 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cccnc1OCc1ccccc1 ZINC001205922972 1370912583 /nfs/dbraw/zinc/91/25/83/1370912583.db2.gz FTPIXYMOXZZAAE-WMZOPIPTSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccnc1OCc1ccccc1 ZINC001205922972 1370912588 /nfs/dbraw/zinc/91/25/88/1370912588.db2.gz FTPIXYMOXZZAAE-WMZOPIPTSA-N 2 1 325.456 3.220 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001116449764 1370915308 /nfs/dbraw/zinc/91/53/08/1370915308.db2.gz STGXWKVDMYBMEB-SJORKVTESA-N 2 1 348.560 3.358 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC001116449764 1370915310 /nfs/dbraw/zinc/91/53/10/1370915310.db2.gz STGXWKVDMYBMEB-SJORKVTESA-N 2 1 348.560 3.358 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC001116449764 1370915314 /nfs/dbraw/zinc/91/53/14/1370915314.db2.gz STGXWKVDMYBMEB-SJORKVTESA-N 2 1 348.560 3.358 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC[C@H]1C[NH3+] ZINC001205982557 1370928890 /nfs/dbraw/zinc/92/88/90/1370928890.db2.gz MHTRJWNWDFGGBP-NQIIRXRSSA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC[C@@H]1C[NH3+] ZINC001205982559 1370929471 /nfs/dbraw/zinc/92/94/71/1370929471.db2.gz MHTRJWNWDFGGBP-WIYYLYMNSA-N 3 1 329.532 3.205 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccc(Cl)c(Br)n2)CCC[C@@H]1C[NH3+] ZINC001206012788 1370937852 /nfs/dbraw/zinc/93/78/52/1370937852.db2.gz NVLZXCDZMILFDE-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)c(Br)n2)CCC[C@@H]1C[NH3+] ZINC001206012788 1370937855 /nfs/dbraw/zinc/93/78/55/1370937855.db2.gz NVLZXCDZMILFDE-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc(OCc3ccccc3)no2)CCC[C@@H]1C[NH3+] ZINC001206012097 1370938476 /nfs/dbraw/zinc/93/84/76/1370938476.db2.gz ITYYOPVQWASEIV-DOTOQJQBSA-N 2 1 329.444 3.060 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1OC(=O)C(C)C ZINC001206015004 1370939006 /nfs/dbraw/zinc/93/90/06/1370939006.db2.gz ZGMHUXVIERDYBM-DOTOQJQBSA-N 2 1 348.487 3.063 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(C)(C)C)CCC[C@@H]1C[NH3+] ZINC001206026292 1370942476 /nfs/dbraw/zinc/94/24/76/1370942476.db2.gz RHVWLWOMNXTATO-HZPDHXFCSA-N 2 1 331.504 3.478 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CCC[C@@H]1C[NH3+] ZINC001206028768 1370942931 /nfs/dbraw/zinc/94/29/31/1370942931.db2.gz ZALPYBZBGZCQIA-CHWSQXEVSA-N 2 1 334.414 3.162 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH2+]CCCC3CCC3)CC2)CC[N@H+]1C ZINC001206030583 1370943629 /nfs/dbraw/zinc/94/36/29/1370943629.db2.gz CEIMUAXDRKTHDS-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@H+](Cc2c(Cl)cncc2Br)CCC[C@@H]1C[NH3+] ZINC001206036572 1370945088 /nfs/dbraw/zinc/94/50/88/1370945088.db2.gz LMHKIMCWRZUIJZ-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)cncc2Br)CCC[C@@H]1C[NH3+] ZINC001206036572 1370945092 /nfs/dbraw/zinc/94/50/92/1370945092.db2.gz LMHKIMCWRZUIJZ-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP Cc1nc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)co1 ZINC001206093037 1370958828 /nfs/dbraw/zinc/95/88/28/1370958828.db2.gz KECUWWINHCVSEU-OALUTQOASA-N 2 1 325.456 3.327 20 0 EGADMP Cc1nc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)co1 ZINC001206093037 1370958829 /nfs/dbraw/zinc/95/88/29/1370958829.db2.gz KECUWWINHCVSEU-OALUTQOASA-N 2 1 325.456 3.327 20 0 EGADMP Cc1nc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)co1 ZINC001206093037 1370958831 /nfs/dbraw/zinc/95/88/31/1370958831.db2.gz KECUWWINHCVSEU-OALUTQOASA-N 2 1 325.456 3.327 20 0 EGADMP Cc1nc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)co1 ZINC001206093037 1370958833 /nfs/dbraw/zinc/95/88/33/1370958833.db2.gz KECUWWINHCVSEU-OALUTQOASA-N 2 1 325.456 3.327 20 0 EGADMP Cc1nc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)co1 ZINC001206093037 1370958835 /nfs/dbraw/zinc/95/88/35/1370958835.db2.gz KECUWWINHCVSEU-OALUTQOASA-N 2 1 325.456 3.327 20 0 EGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001206157144 1370974530 /nfs/dbraw/zinc/97/45/30/1370974530.db2.gz WKJLPIKXZILXHE-KSZLIROESA-N 2 1 326.500 3.415 20 0 EGADMP CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001206157144 1370974532 /nfs/dbraw/zinc/97/45/32/1370974532.db2.gz WKJLPIKXZILXHE-KSZLIROESA-N 2 1 326.500 3.415 20 0 EGADMP [NH3+]C[C@]1(F)CCCCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001206335254 1371026816 /nfs/dbraw/zinc/02/68/16/1371026816.db2.gz DDWQXCJLRDUOBX-VQTJNVASSA-N 2 1 333.495 3.052 20 0 EGADMP [NH3+]C[C@]1(F)CCCCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001206335884 1371027093 /nfs/dbraw/zinc/02/70/93/1371027093.db2.gz HUTNLCQZJZKKGF-WOJBJXKFSA-N 2 1 333.495 3.194 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(OC)c1Cl ZINC001206337151 1371027130 /nfs/dbraw/zinc/02/71/30/1371027130.db2.gz QWAZRQKHTZXVGS-KRWDZBQOSA-N 2 1 326.868 3.308 20 0 EGADMP CC(C)=CC[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001206474817 1371066583 /nfs/dbraw/zinc/06/65/83/1371066583.db2.gz LKTVODTWTZCWIA-UHFFFAOYSA-N 2 1 346.519 3.191 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206481381 1371067922 /nfs/dbraw/zinc/06/79/22/1371067922.db2.gz GUBALXZAESFHHY-RRFGBZISSA-N 2 1 349.563 3.434 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)C1 ZINC001117749019 1371074260 /nfs/dbraw/zinc/07/42/60/1371074260.db2.gz ULOLRSAFPAFZNV-SJORKVTESA-N 2 1 345.487 3.416 20 0 EGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(Oc3ncccn3)c2)C1 ZINC001206548143 1371090664 /nfs/dbraw/zinc/09/06/64/1371090664.db2.gz HOKIYAWLZPTCFM-IBGZPJMESA-N 2 1 326.444 3.220 20 0 EGADMP CC(C)[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)[C@H]1CCC[NH2+]CC1 ZINC001206589939 1371101996 /nfs/dbraw/zinc/10/19/96/1371101996.db2.gz IZUXMCDQVXYPGS-HNNXBMFYSA-N 2 1 345.409 3.375 20 0 EGADMP CCOC(=O)Cc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC001206598740 1371105661 /nfs/dbraw/zinc/10/56/61/1371105661.db2.gz LYVDHCDWJUOJPV-LJQANCHMSA-N 2 1 332.488 3.145 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCCc2ccccc2Br)C1 ZINC001206606597 1371107881 /nfs/dbraw/zinc/10/78/81/1371107881.db2.gz QVVLRRAHQLTELG-AWEZNQCLSA-N 2 1 325.294 3.443 20 0 EGADMP COc1cc(F)ccc1-c1cncc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206649144 1371119896 /nfs/dbraw/zinc/11/98/96/1371119896.db2.gz RLDNVBODJMZANL-HNNXBMFYSA-N 2 1 343.446 3.457 20 0 EGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CCCc1ccccc1Br ZINC001206760899 1371155963 /nfs/dbraw/zinc/15/59/63/1371155963.db2.gz NKDDDONWNSKKAE-ZIAGYGMSSA-N 2 1 325.294 3.441 20 0 EGADMP Cc1ncc(CN2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)n1C ZINC001206795569 1371169198 /nfs/dbraw/zinc/16/91/98/1371169198.db2.gz HDPTXCZUSFOBHT-UHFFFAOYSA-N 2 1 346.906 3.478 20 0 EGADMP Cc1[nH+]cc(CN2CCC([N@H+](C)Cc3ccc(Cl)cc3)CC2)n1C ZINC001206795569 1371169201 /nfs/dbraw/zinc/16/92/01/1371169201.db2.gz HDPTXCZUSFOBHT-UHFFFAOYSA-N 2 1 346.906 3.478 20 0 EGADMP Cc1[nH+]cc(CN2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)n1C ZINC001206795569 1371169204 /nfs/dbraw/zinc/16/92/04/1371169204.db2.gz HDPTXCZUSFOBHT-UHFFFAOYSA-N 2 1 346.906 3.478 20 0 EGADMP COc1ccc2c(OC)ccc(C[N@H+]3C[C@@H](C[NH3+])CC[C@H]3C)c2c1 ZINC001206808839 1371176343 /nfs/dbraw/zinc/17/63/43/1371176343.db2.gz KRGTXLKTQCWIOK-HUUCEWRRSA-N 2 1 328.456 3.416 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206947758 1371240904 /nfs/dbraw/zinc/24/09/04/1371240904.db2.gz INLMHTAEFAEGBL-SPCWZHTESA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC(C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001206954737 1371244309 /nfs/dbraw/zinc/24/43/09/1371244309.db2.gz UZXZJKIIZCTCIQ-INIZCTEOSA-N 2 1 349.494 3.055 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001207006976 1371264107 /nfs/dbraw/zinc/26/41/07/1371264107.db2.gz DMMNKJBMUVZKRS-OCXQYPQTSA-N 2 1 346.519 3.189 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207006976 1371264112 /nfs/dbraw/zinc/26/41/12/1371264112.db2.gz DMMNKJBMUVZKRS-OCXQYPQTSA-N 2 1 346.519 3.189 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207006976 1371264115 /nfs/dbraw/zinc/26/41/15/1371264115.db2.gz DMMNKJBMUVZKRS-OCXQYPQTSA-N 2 1 346.519 3.189 20 0 EGADMP CN(Cc1[nH+]cc2ccccn21)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001207057841 1371281891 /nfs/dbraw/zinc/28/18/91/1371281891.db2.gz RSNMCSQWFMZIEF-LJQANCHMSA-N 2 1 334.467 3.288 20 0 EGADMP CN(Cc1[nH+]cc2ccccn21)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001207057841 1371281894 /nfs/dbraw/zinc/28/18/94/1371281894.db2.gz RSNMCSQWFMZIEF-LJQANCHMSA-N 2 1 334.467 3.288 20 0 EGADMP Cc1nccc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)n1 ZINC001207164122 1371317009 /nfs/dbraw/zinc/31/70/09/1371317009.db2.gz PGZQLYLPNFFSKL-LJQANCHMSA-N 2 1 340.471 3.255 20 0 EGADMP COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207290681 1371352758 /nfs/dbraw/zinc/35/27/58/1371352758.db2.gz AQZOIQNPJCBCCR-YLJYHZDGSA-N 2 1 344.499 3.030 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)CC2)cc1 ZINC001207292172 1371353038 /nfs/dbraw/zinc/35/30/38/1371353038.db2.gz MHXASSBRAPMXKO-UJOPUZHASA-N 2 1 326.484 3.008 20 0 EGADMP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001207313012 1371357959 /nfs/dbraw/zinc/35/79/59/1371357959.db2.gz KOKFZJOQTUAGTL-QGZVFWFLSA-N 2 1 339.524 3.194 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001207313012 1371357962 /nfs/dbraw/zinc/35/79/62/1371357962.db2.gz KOKFZJOQTUAGTL-QGZVFWFLSA-N 2 1 339.524 3.194 20 0 EGADMP Cc1nc([C@H]2C[C@@H]3CC[N@H+](CC4CC[NH+](C)CC4)C[C@H]3O2)sc1C ZINC001207396704 1371384389 /nfs/dbraw/zinc/38/43/89/1371384389.db2.gz QWZATOMJFLLSID-RCCFBDPRSA-N 2 1 349.544 3.254 20 0 EGADMP C[NH+]1CCC(C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC001207401143 1371385146 /nfs/dbraw/zinc/38/51/46/1371385146.db2.gz MJQGJXDESUINRS-KRWDZBQOSA-N 2 1 342.405 3.421 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC001207401143 1371385152 /nfs/dbraw/zinc/38/51/52/1371385152.db2.gz MJQGJXDESUINRS-KRWDZBQOSA-N 2 1 342.405 3.421 20 0 EGADMP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)[N@H+]1CCC[C@@H](C)C1 ZINC001119700958 1371390895 /nfs/dbraw/zinc/39/08/95/1371390895.db2.gz CHMBNASJGIRNAM-SJORKVTESA-N 2 1 347.503 3.116 20 0 EGADMP CN(C(=O)OC(C)(C)C)C1CCC([N@@H+](C)CC2CC[NH2+]CC2)CC1 ZINC001207440986 1371396422 /nfs/dbraw/zinc/39/64/22/1371396422.db2.gz NCFMCOGGVCYBTH-UHFFFAOYSA-N 2 1 339.524 3.096 20 0 EGADMP Clc1ccc(-c2cc3n(n2)CC[N@@H+](CC2CC[NH2+]CC2)C3)cc1 ZINC001207441861 1371396646 /nfs/dbraw/zinc/39/66/46/1371396646.db2.gz NNHQLNGKNBDLBF-UHFFFAOYSA-N 2 1 330.863 3.019 20 0 EGADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccccc1F)C2 ZINC001207497667 1371415022 /nfs/dbraw/zinc/41/50/22/1371415022.db2.gz CKHCAOYLCBCELR-FPOVZHCZSA-N 2 1 346.490 3.049 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccccc1F)C2 ZINC001207497667 1371415028 /nfs/dbraw/zinc/41/50/28/1371415028.db2.gz CKHCAOYLCBCELR-FPOVZHCZSA-N 2 1 346.490 3.049 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCc1ccccc1F)C2 ZINC001207497667 1371415033 /nfs/dbraw/zinc/41/50/33/1371415033.db2.gz CKHCAOYLCBCELR-FPOVZHCZSA-N 2 1 346.490 3.049 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCc1ccccc1F)C2 ZINC001207497667 1371415037 /nfs/dbraw/zinc/41/50/37/1371415037.db2.gz CKHCAOYLCBCELR-FPOVZHCZSA-N 2 1 346.490 3.049 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207543041 1371431256 /nfs/dbraw/zinc/43/12/56/1371431256.db2.gz BWSSLCAQGAXWRE-QRQLOZEOSA-N 2 1 343.515 3.059 20 0 EGADMP COc1cc2c(cc1C[N@H+]1C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C1)O[C@@H](C)C2 ZINC001119988562 1371443799 /nfs/dbraw/zinc/44/37/99/1371443799.db2.gz KGOGBIKVSLYSIM-BVYOLEPJSA-N 2 1 344.499 3.181 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCC3CCCC3)CCCCC2)C1 ZINC001120010051 1371453575 /nfs/dbraw/zinc/45/35/75/1371453575.db2.gz KIGFLKVNTBVGSF-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120130065 1371491786 /nfs/dbraw/zinc/49/17/86/1371491786.db2.gz UECUIBDTMIERNO-MSOLQXFVSA-N 2 1 337.552 3.029 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001120140608 1371494320 /nfs/dbraw/zinc/49/43/20/1371494320.db2.gz GDHDVJFFTBQKGY-UHFFFAOYSA-N 2 1 344.503 3.101 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207790771 1371504977 /nfs/dbraw/zinc/50/49/77/1371504977.db2.gz XZXBNIZNACTGOX-SJLPKXTDSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001207790771 1371504981 /nfs/dbraw/zinc/50/49/81/1371504981.db2.gz XZXBNIZNACTGOX-SJLPKXTDSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001207790771 1371504984 /nfs/dbraw/zinc/50/49/84/1371504984.db2.gz XZXBNIZNACTGOX-SJLPKXTDSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001120207891 1371505124 /nfs/dbraw/zinc/50/51/24/1371505124.db2.gz KQLVRYUFRITCAF-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCCc1ccc(C)o1)C2 ZINC001207943171 1371544908 /nfs/dbraw/zinc/54/49/08/1371544908.db2.gz COGNWPMALKBEOX-FPOVZHCZSA-N 2 1 346.515 3.201 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120401029 1371561983 /nfs/dbraw/zinc/56/19/83/1371561983.db2.gz GEGHVNYPRQTTFB-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001120401029 1371561984 /nfs/dbraw/zinc/56/19/84/1371561984.db2.gz GEGHVNYPRQTTFB-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001120401029 1371561988 /nfs/dbraw/zinc/56/19/88/1371561988.db2.gz GEGHVNYPRQTTFB-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001120403631 1371563120 /nfs/dbraw/zinc/56/31/20/1371563120.db2.gz ZWAHHAROTFNWIZ-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001120403631 1371563121 /nfs/dbraw/zinc/56/31/21/1371563121.db2.gz ZWAHHAROTFNWIZ-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001120403631 1371563123 /nfs/dbraw/zinc/56/31/23/1371563123.db2.gz ZWAHHAROTFNWIZ-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120422006 1371569038 /nfs/dbraw/zinc/56/90/38/1371569038.db2.gz HSWRJEUTCFMWTJ-MNVMYWNISA-N 2 1 349.563 3.388 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001120421768 1371569675 /nfs/dbraw/zinc/56/96/75/1371569675.db2.gz CXBPEMORNBGGJY-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120423041 1371570763 /nfs/dbraw/zinc/57/07/63/1371570763.db2.gz RBPLNIQSYSSOPR-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120449727 1371581648 /nfs/dbraw/zinc/58/16/48/1371581648.db2.gz PKHLJRKBHIHARL-PMACEKPBSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120449445 1371581697 /nfs/dbraw/zinc/58/16/97/1371581697.db2.gz MGNUBZIPHHQIPE-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001120449445 1371581698 /nfs/dbraw/zinc/58/16/98/1371581698.db2.gz MGNUBZIPHHQIPE-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001120449445 1371581699 /nfs/dbraw/zinc/58/16/99/1371581699.db2.gz MGNUBZIPHHQIPE-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120467773 1371586920 /nfs/dbraw/zinc/58/69/20/1371586920.db2.gz BYXSRJSZDOSPCH-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120467773 1371586923 /nfs/dbraw/zinc/58/69/23/1371586923.db2.gz BYXSRJSZDOSPCH-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120467773 1371586928 /nfs/dbraw/zinc/58/69/28/1371586928.db2.gz BYXSRJSZDOSPCH-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)[C@H](c2ccccc2)C1 ZINC001208110729 1371597695 /nfs/dbraw/zinc/59/76/95/1371597695.db2.gz FSDWURNUMHRACE-OALUTQOASA-N 2 1 344.499 3.345 20 0 EGADMP C[NH+](C)CCN(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208128090 1371603713 /nfs/dbraw/zinc/60/37/13/1371603713.db2.gz UIVRBCYYFSRKNV-QFIPXVFZSA-N 2 1 337.511 3.325 20 0 EGADMP C[NH+](C)CC1(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CCCC1 ZINC001208185410 1371625550 /nfs/dbraw/zinc/62/55/50/1371625550.db2.gz CZACVMXJLLOYBM-NHCUHLMSSA-N 2 1 341.543 3.315 20 0 EGADMP CC(C)c1noc([C@H]2CCC[N@@H+](CC3(C[NH+](C)C)CCCC3)C2)n1 ZINC001208185630 1371627814 /nfs/dbraw/zinc/62/78/14/1371627814.db2.gz GWRSMXBXAXLUQU-INIZCTEOSA-N 2 1 334.508 3.494 20 0 EGADMP CC(C)c1noc([C@@H]2CCC[N@@H+](CC3(C[NH+](C)C)CCCC3)C2)n1 ZINC001208185632 1371627991 /nfs/dbraw/zinc/62/79/91/1371627991.db2.gz GWRSMXBXAXLUQU-MRXNPFEDSA-N 2 1 334.508 3.494 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](CCc3cccc(F)c3)C2)C1 ZINC001208196149 1371637187 /nfs/dbraw/zinc/63/71/87/1371637187.db2.gz WRCUUDMCNPDMTC-FQEVSTJZSA-N 2 1 334.479 3.191 20 0 EGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](CCc3cccc(F)c3)C2)C1 ZINC001208196149 1371637191 /nfs/dbraw/zinc/63/71/91/1371637191.db2.gz WRCUUDMCNPDMTC-FQEVSTJZSA-N 2 1 334.479 3.191 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](CCc3cccc(F)c3)C2)C1 ZINC001208196149 1371637195 /nfs/dbraw/zinc/63/71/95/1371637195.db2.gz WRCUUDMCNPDMTC-FQEVSTJZSA-N 2 1 334.479 3.191 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](CCc3cccc(F)c3)C2)C1 ZINC001208196149 1371637204 /nfs/dbraw/zinc/63/72/04/1371637204.db2.gz WRCUUDMCNPDMTC-FQEVSTJZSA-N 2 1 334.479 3.191 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001208334351 1371722574 /nfs/dbraw/zinc/72/25/74/1371722574.db2.gz IOOSOMUBIKQDMM-UBZMYNMCSA-N 2 1 344.503 3.088 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208335618 1371722839 /nfs/dbraw/zinc/72/28/39/1371722839.db2.gz WSENQUVJRUIPPZ-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CCC(C[NH+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@@H]3C2)CC1 ZINC001208596065 1371834442 /nfs/dbraw/zinc/83/44/42/1371834442.db2.gz ATGSOSWAUWJXGQ-FGZHOGPDSA-N 2 1 341.543 3.091 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](Cc2ccccc2)[C@H](C)CC(=O)OC)CC1 ZINC001208601614 1371835893 /nfs/dbraw/zinc/83/58/93/1371835893.db2.gz NVJJWDVKBUKJIK-QGZVFWFLSA-N 2 1 332.488 3.172 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001208727817 1371875034 /nfs/dbraw/zinc/87/50/34/1371875034.db2.gz SOHZSWUWTXKVHP-ZOYAEOFMSA-N 2 1 330.520 3.413 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001208727817 1371875036 /nfs/dbraw/zinc/87/50/36/1371875036.db2.gz SOHZSWUWTXKVHP-ZOYAEOFMSA-N 2 1 330.520 3.413 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@@H+](C)C2CCN(CC)CC2)cc1 ZINC001208870681 1371926892 /nfs/dbraw/zinc/92/68/92/1371926892.db2.gz YROXFFAKVJZLHS-UHFFFAOYSA-N 2 1 332.488 3.212 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC001208870681 1371926894 /nfs/dbraw/zinc/92/68/94/1371926894.db2.gz YROXFFAKVJZLHS-UHFFFAOYSA-N 2 1 332.488 3.212 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC001208870681 1371926896 /nfs/dbraw/zinc/92/68/96/1371926896.db2.gz YROXFFAKVJZLHS-UHFFFAOYSA-N 2 1 332.488 3.212 20 0 EGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](C[C@H]1CCC=CO1)CC2 ZINC001208879042 1371929806 /nfs/dbraw/zinc/92/98/06/1371929806.db2.gz LGCBSOUXZYWUKP-HXUWFJFHSA-N 2 1 341.499 3.451 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](C[C@H](C)C(F)(F)F)CC1 ZINC001208901949 1371938583 /nfs/dbraw/zinc/93/85/83/1371938583.db2.gz OQENPKOJZSTVFF-INIZCTEOSA-N 2 1 337.474 3.315 20 0 EGADMP O[C@@]1(CF)CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208930402 1371949332 /nfs/dbraw/zinc/94/93/32/1371949332.db2.gz AXYBNWGPMXCUDB-UXHICEINSA-N 2 1 334.479 3.085 20 0 EGADMP O[C@@]1(CF)CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208930402 1371949333 /nfs/dbraw/zinc/94/93/33/1371949333.db2.gz AXYBNWGPMXCUDB-UXHICEINSA-N 2 1 334.479 3.085 20 0 EGADMP O[C@@]1(CF)CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208930402 1371949335 /nfs/dbraw/zinc/94/93/35/1371949335.db2.gz AXYBNWGPMXCUDB-UXHICEINSA-N 2 1 334.479 3.085 20 0 EGADMP CC(C)c1nc(CC[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)no1 ZINC001208941216 1371956196 /nfs/dbraw/zinc/95/61/96/1371956196.db2.gz JIBRSMCKSZWRID-GOSISDBHSA-N 2 1 342.487 3.189 20 0 EGADMP CC(C)c1nc(CC[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)no1 ZINC001208941216 1371956201 /nfs/dbraw/zinc/95/62/01/1371956201.db2.gz JIBRSMCKSZWRID-GOSISDBHSA-N 2 1 342.487 3.189 20 0 EGADMP CC(C)c1nc(CC[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)no1 ZINC001208941216 1371956204 /nfs/dbraw/zinc/95/62/04/1371956204.db2.gz JIBRSMCKSZWRID-GOSISDBHSA-N 2 1 342.487 3.189 20 0 EGADMP CC(C)c1nc(CC[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)no1 ZINC001208941216 1371956209 /nfs/dbraw/zinc/95/62/09/1371956209.db2.gz JIBRSMCKSZWRID-GOSISDBHSA-N 2 1 342.487 3.189 20 0 EGADMP COC(=O)CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC001208948673 1371958705 /nfs/dbraw/zinc/95/87/05/1371958705.db2.gz HQZXTTINDHMQBQ-IBGZPJMESA-N 2 1 344.499 3.316 20 0 EGADMP COC(=O)CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001208948673 1371958708 /nfs/dbraw/zinc/95/87/08/1371958708.db2.gz HQZXTTINDHMQBQ-IBGZPJMESA-N 2 1 344.499 3.316 20 0 EGADMP COC(=O)CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001208948673 1371958712 /nfs/dbraw/zinc/95/87/12/1371958712.db2.gz HQZXTTINDHMQBQ-IBGZPJMESA-N 2 1 344.499 3.316 20 0 EGADMP CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208947392 1371958880 /nfs/dbraw/zinc/95/88/80/1371958880.db2.gz BHSDDEZUVXHMTM-RTBURBONSA-N 2 1 344.499 3.172 20 0 EGADMP CC(C)(C)OC(=O)[C@@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947392 1371958885 /nfs/dbraw/zinc/95/88/85/1371958885.db2.gz BHSDDEZUVXHMTM-RTBURBONSA-N 2 1 344.499 3.172 20 0 EGADMP CC(C)(C)OC(=O)[C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947392 1371958891 /nfs/dbraw/zinc/95/88/91/1371958891.db2.gz BHSDDEZUVXHMTM-RTBURBONSA-N 2 1 344.499 3.172 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN3CC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC001208948221 1371959651 /nfs/dbraw/zinc/95/96/51/1371959651.db2.gz FRNMWZHTXYZJES-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP CCOC(=O)[C@]1(C)CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208954663 1371961966 /nfs/dbraw/zinc/96/19/66/1371961966.db2.gz WYWWUKBQWNBNOF-TZIWHRDSSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)[C@]1(C)CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208954663 1371961969 /nfs/dbraw/zinc/96/19/69/1371961969.db2.gz WYWWUKBQWNBNOF-TZIWHRDSSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)[C@]1(C)CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208954663 1371961981 /nfs/dbraw/zinc/96/19/81/1371961981.db2.gz WYWWUKBQWNBNOF-TZIWHRDSSA-N 2 1 344.499 3.174 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)CC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001209174397 1372024346 /nfs/dbraw/zinc/02/43/46/1372024346.db2.gz SSYWTJHZGYRVCK-KRWDZBQOSA-N 2 1 341.540 3.440 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CCCc4cccnc4)CC[C@@H]3C2)cc1 ZINC001209185019 1372029049 /nfs/dbraw/zinc/02/90/49/1372029049.db2.gz MNPNPPJUZNDXRV-FGZHOGPDSA-N 2 1 335.495 3.468 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CCCc4cccnc4)CC[C@@H]3C2)cc1 ZINC001209185019 1372029051 /nfs/dbraw/zinc/02/90/51/1372029051.db2.gz MNPNPPJUZNDXRV-FGZHOGPDSA-N 2 1 335.495 3.468 20 0 EGADMP C[N@H+](C1CC1)C1CC[NH+](CCCCCNC(=O)OC(C)(C)C)CC1 ZINC001209372677 1372079926 /nfs/dbraw/zinc/07/99/26/1372079926.db2.gz ALVBYHFWWRZVPL-UHFFFAOYSA-N 2 1 339.524 3.240 20 0 EGADMP C[N@@H+](C1CC1)C1CC[NH+](CCCCCNC(=O)OC(C)(C)C)CC1 ZINC001209372677 1372079930 /nfs/dbraw/zinc/07/99/30/1372079930.db2.gz ALVBYHFWWRZVPL-UHFFFAOYSA-N 2 1 339.524 3.240 20 0 EGADMP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001121867279 1372108659 /nfs/dbraw/zinc/10/86/59/1372108659.db2.gz MFHCZODMSVKBFL-FCOWATRHSA-N 2 1 349.563 3.312 20 0 EGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc2c(cn1)OCCC2 ZINC001209511329 1372124964 /nfs/dbraw/zinc/12/49/64/1372124964.db2.gz RPUKQDQRDLPDKR-OALUTQOASA-N 2 1 329.488 3.245 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc2c(cn1)OCCC2 ZINC001209511329 1372124968 /nfs/dbraw/zinc/12/49/68/1372124968.db2.gz RPUKQDQRDLPDKR-OALUTQOASA-N 2 1 329.488 3.245 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cn1)OCCC2 ZINC001209511329 1372124972 /nfs/dbraw/zinc/12/49/72/1372124972.db2.gz RPUKQDQRDLPDKR-OALUTQOASA-N 2 1 329.488 3.245 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc2c(cn1)OCCC2 ZINC001209511329 1372124975 /nfs/dbraw/zinc/12/49/75/1372124975.db2.gz RPUKQDQRDLPDKR-OALUTQOASA-N 2 1 329.488 3.245 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001209585161 1372143507 /nfs/dbraw/zinc/14/35/07/1372143507.db2.gz HEYRNNKSZTZOGG-LEJUBNGFSA-N 2 1 337.552 3.146 20 0 EGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cccc3[nH]cc(Cl)c31)CC2 ZINC001209655502 1372162130 /nfs/dbraw/zinc/16/21/30/1372162130.db2.gz RPYHCMMASKVVNA-UHFFFAOYSA-N 2 1 346.862 3.451 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001209659912 1372163364 /nfs/dbraw/zinc/16/33/64/1372163364.db2.gz KBZVVTPJCPMSSN-MJRGOJFPSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001209688256 1372170601 /nfs/dbraw/zinc/17/06/01/1372170601.db2.gz CKQYFWQCQHGQCX-ZWKOTPCHSA-N 2 1 339.568 3.227 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC1CCCCC1)C2 ZINC001122101682 1372175169 /nfs/dbraw/zinc/17/51/69/1372175169.db2.gz VWRNOHAKDYZGKC-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1C ZINC001210040733 1372261132 /nfs/dbraw/zinc/26/11/32/1372261132.db2.gz LSBYOEIRCYRALU-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1C ZINC001210040733 1372261137 /nfs/dbraw/zinc/26/11/37/1372261137.db2.gz LSBYOEIRCYRALU-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1C ZINC001210040733 1372261138 /nfs/dbraw/zinc/26/11/38/1372261138.db2.gz LSBYOEIRCYRALU-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](F)CC)C[C@H]1C ZINC001210236456 1372301133 /nfs/dbraw/zinc/30/11/33/1372301133.db2.gz OOJNECANGOLXCH-FGTMMUONSA-N 2 1 343.531 3.073 20 0 EGADMP c1ccc(-c2cccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)n2)cc1 ZINC001210263140 1372308360 /nfs/dbraw/zinc/30/83/60/1372308360.db2.gz TXIDUHAJSIDYPF-UHFFFAOYSA-N 2 1 331.423 3.297 20 0 EGADMP c1ccc(C[C@H]2CN(C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC[NH2+]2)cc1 ZINC001210266804 1372310580 /nfs/dbraw/zinc/31/05/80/1372310580.db2.gz JVLSFGWYTRLKFV-PKTZIBPZSA-N 2 1 349.522 3.025 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001210493465 1372365857 /nfs/dbraw/zinc/36/58/57/1372365857.db2.gz LOKONMVYDSGOHI-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001210492871 1372366158 /nfs/dbraw/zinc/36/61/58/1372366158.db2.gz FDDVFNOEYKIQGK-RBUKOAKNSA-N 2 1 345.531 3.287 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)c2cccc(C)c2)C[C@H]1C ZINC001210497257 1372366462 /nfs/dbraw/zinc/36/64/62/1372366462.db2.gz CAGZSRGPIJPKIO-QWFCFKBJSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cccc(C)c2)C[C@H]1C ZINC001210497257 1372366465 /nfs/dbraw/zinc/36/64/65/1372366465.db2.gz CAGZSRGPIJPKIO-QWFCFKBJSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cccc(C)c2)C[C@H]1C ZINC001210497257 1372366468 /nfs/dbraw/zinc/36/64/68/1372366468.db2.gz CAGZSRGPIJPKIO-QWFCFKBJSA-N 2 1 345.531 3.224 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC=C(C)C)C1 ZINC001210586530 1372385113 /nfs/dbraw/zinc/38/51/13/1372385113.db2.gz XVYBFZNFNZMTKH-RBUKOAKNSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]C/C=C/Cl)C1)c1ccccc1 ZINC001210645794 1372399483 /nfs/dbraw/zinc/39/94/83/1372399483.db2.gz UPPSNDLULGPQPW-UFBUJHCKSA-N 2 1 349.906 3.013 20 0 EGADMP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1)c1ccc(F)cc1 ZINC001211286478 1372521564 /nfs/dbraw/zinc/52/15/64/1372521564.db2.gz UWDHTMMTJHDZNV-RTBURBONSA-N 2 1 349.494 3.198 20 0 EGADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC001326473653 1388205801 /nfs/dbraw/zinc/20/58/01/1388205801.db2.gz MYKZETCLXXEEOU-BXUZGUMPSA-N 2 1 327.266 3.250 20 0 EGADMP Cc1cc(NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)ccc1C[NH+](C)C ZINC001123807345 1372595025 /nfs/dbraw/zinc/59/50/25/1372595025.db2.gz WXJTUFNYIUCGGD-POZUXBRTSA-N 2 1 329.488 3.116 20 0 EGADMP Cc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c(F)c1F ZINC001212145509 1372663652 /nfs/dbraw/zinc/66/36/52/1372663652.db2.gz VJLULTJAHGHZNS-ZDUSSCGKSA-N 2 1 338.402 3.491 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636309 1373093250 /nfs/dbraw/zinc/09/32/50/1373093250.db2.gz HBSYCWRLYJERAJ-QWFCFKBJSA-N 2 1 349.563 3.124 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(CC)CC)C1 ZINC001214662026 1373098407 /nfs/dbraw/zinc/09/84/07/1373098407.db2.gz QRJHJRPZNIAVOK-JFIYKMOQSA-N 2 1 348.535 3.269 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855226 1373130470 /nfs/dbraw/zinc/13/04/70/1373130470.db2.gz AJTKDEOXCJGJSP-NSISKUIASA-N 2 1 349.563 3.266 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855698 1373130502 /nfs/dbraw/zinc/13/05/02/1373130502.db2.gz LFEZCDYCJJCERA-HYLNVORRSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214856029 1373130710 /nfs/dbraw/zinc/13/07/10/1373130710.db2.gz VEZYIIDKJXZNNP-ZRAQOITDSA-N 2 1 335.536 3.042 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214890270 1373136446 /nfs/dbraw/zinc/13/64/46/1373136446.db2.gz UVRZGWVDJIYTCT-ZRAQOITDSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(C(C)(C)C)cc1 ZINC001127643925 1373152283 /nfs/dbraw/zinc/15/22/83/1373152283.db2.gz RKVHETAQTIUJQH-GPMSIDNRSA-N 2 1 345.531 3.091 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001214990181 1373152850 /nfs/dbraw/zinc/15/28/50/1373152850.db2.gz CUNCXCVWFKBHNY-IIDMSEBBSA-N 2 1 349.494 3.054 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001127680709 1373159264 /nfs/dbraw/zinc/15/92/64/1373159264.db2.gz ZJDMBCDFUZCJRS-CABCVRRESA-N 2 1 346.450 3.003 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326583406 1388247851 /nfs/dbraw/zinc/24/78/51/1388247851.db2.gz ISHBOSYVOJCQEF-AWEZNQCLSA-N 2 1 335.879 3.133 20 0 EGADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001215387696 1373204461 /nfs/dbraw/zinc/20/44/61/1373204461.db2.gz SKMDNOILXXRVPD-RLLQIKCJSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@H]([NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C)c1ccc(F)cc1 ZINC001129423052 1373382500 /nfs/dbraw/zinc/38/25/00/1373382500.db2.gz OTYJDDNGOFMBHO-OALUTQOASA-N 2 1 349.494 3.246 20 0 EGADMP CC[C@@H]([NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C)c1ccc(F)cc1 ZINC001129423054 1373382530 /nfs/dbraw/zinc/38/25/30/1373382530.db2.gz OTYJDDNGOFMBHO-RTBURBONSA-N 2 1 349.494 3.246 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217697731 1373490179 /nfs/dbraw/zinc/49/01/79/1373490179.db2.gz RQUNYDAJNSBRLP-MOPGFXCFSA-N 2 1 348.450 3.302 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217697731 1373490181 /nfs/dbraw/zinc/49/01/81/1373490181.db2.gz RQUNYDAJNSBRLP-MOPGFXCFSA-N 2 1 348.450 3.302 20 0 EGADMP C[C@@H]1C[C@H](OC[C@]2(C)C[N@@H+](Cc3ccccc3)CC(C)(C)O2)CC[NH2+]1 ZINC001217791732 1373500713 /nfs/dbraw/zinc/50/07/13/1373500713.db2.gz PEWHSWYSEMYKAW-QFUCXCTJSA-N 2 1 346.515 3.213 20 0 EGADMP c1ccc(C[N@@H+]2CCOC[C@H](OCCCCC3CC[NH2+]CC3)C2)cc1 ZINC001217895782 1373510379 /nfs/dbraw/zinc/51/03/79/1373510379.db2.gz SPZFIYJPWXDRRE-OAQYLSRUSA-N 2 1 346.515 3.074 20 0 EGADMP c1ccc(C[N@@H+]2CCc3ccc(O[C@H]4C[C@H]5C[NH2+]C[C@H]5C4)nc3C2)cc1 ZINC001218135527 1373567056 /nfs/dbraw/zinc/56/70/56/1373567056.db2.gz XYUUVTBMSJPYIF-ACDBMABISA-N 2 1 349.478 3.017 20 0 EGADMP c1ccc(C[N@H+]2CCc3ccc(O[C@H]4C[C@H]5C[NH2+]C[C@H]5C4)nc3C2)cc1 ZINC001218135527 1373567061 /nfs/dbraw/zinc/56/70/61/1373567061.db2.gz XYUUVTBMSJPYIF-ACDBMABISA-N 2 1 349.478 3.017 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001221664329 1373787040 /nfs/dbraw/zinc/78/70/40/1373787040.db2.gz PNKONXBTQGRRKS-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001221664329 1373787043 /nfs/dbraw/zinc/78/70/43/1373787043.db2.gz PNKONXBTQGRRKS-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001221664329 1373787047 /nfs/dbraw/zinc/78/70/47/1373787047.db2.gz PNKONXBTQGRRKS-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1)Cc1ccccc1 ZINC001222092624 1373816316 /nfs/dbraw/zinc/81/63/16/1373816316.db2.gz UIBJDCJWFXNVQT-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1)Cc1ccccc1 ZINC001222092624 1373816321 /nfs/dbraw/zinc/81/63/21/1373816321.db2.gz UIBJDCJWFXNVQT-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222092528 1373817037 /nfs/dbraw/zinc/81/70/37/1373817037.db2.gz RITDQZJZMIOOLU-FBQMEGEOSA-N 2 1 343.515 3.055 20 0 EGADMP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222092528 1373817042 /nfs/dbraw/zinc/81/70/42/1373817042.db2.gz RITDQZJZMIOOLU-FBQMEGEOSA-N 2 1 343.515 3.055 20 0 EGADMP c1cnn(-c2ccc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)cc2)n1 ZINC001222173604 1373818639 /nfs/dbraw/zinc/81/86/39/1373818639.db2.gz VUYKAIOOBQNSPH-FQEVSTJZSA-N 2 1 339.487 3.013 20 0 EGADMP CCC[C@](C)([NH3+])C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001326687362 1388283527 /nfs/dbraw/zinc/28/35/27/1388283527.db2.gz GKZHJJBEMWKYAN-IBGZPJMESA-N 2 1 343.475 3.005 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188674045 1388359284 /nfs/dbraw/zinc/35/92/84/1388359284.db2.gz YGAUZPXLAFFRIL-GBESFXJTSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCC1CCCCC1 ZINC001132105199 1375150377 /nfs/dbraw/zinc/15/03/77/1375150377.db2.gz CLLNQTIJBLRRKQ-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132107494 1375151694 /nfs/dbraw/zinc/15/16/94/1375151694.db2.gz ZMBNXLOKCJBLBX-MZIIKBMYSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132123911 1375158549 /nfs/dbraw/zinc/15/85/49/1375158549.db2.gz LHVHTYFBUAWAEE-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132123912 1375159197 /nfs/dbraw/zinc/15/91/97/1375159197.db2.gz LHVHTYFBUAWAEE-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132140264 1375167360 /nfs/dbraw/zinc/16/73/60/1375167360.db2.gz HADWTBAKCDIBOE-IRXDYDNUSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132140264 1375167363 /nfs/dbraw/zinc/16/73/63/1375167363.db2.gz HADWTBAKCDIBOE-IRXDYDNUSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132140264 1375167367 /nfs/dbraw/zinc/16/73/67/1375167367.db2.gz HADWTBAKCDIBOE-IRXDYDNUSA-N 2 1 337.552 3.265 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CC3(CCC3)C2)C1 ZINC001132154382 1375174072 /nfs/dbraw/zinc/17/40/72/1375174072.db2.gz ZWKJMJPNUSJNMG-SJLPKXTDSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CC3(CCC3)C2)C1 ZINC001132154382 1375174075 /nfs/dbraw/zinc/17/40/75/1375174075.db2.gz ZWKJMJPNUSJNMG-SJLPKXTDSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001132154382 1375174077 /nfs/dbraw/zinc/17/40/77/1375174077.db2.gz ZWKJMJPNUSJNMG-SJLPKXTDSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1C/C=C/c1ccccc1 ZINC001132265563 1375254345 /nfs/dbraw/zinc/25/43/45/1375254345.db2.gz OLOQVTKCFFHRIJ-ZPPSIVDRSA-N 2 1 343.515 3.011 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CCC1=CCCCC1 ZINC001132265586 1375254820 /nfs/dbraw/zinc/25/48/20/1375254820.db2.gz PEIAJTBYPFBJME-MJGOQNOKSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001132266723 1375255744 /nfs/dbraw/zinc/25/57/44/1375255744.db2.gz ZDEVYQTVHCDBLY-WMZOPIPTSA-N 2 1 349.519 3.360 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001132266723 1375255750 /nfs/dbraw/zinc/25/57/50/1375255750.db2.gz ZDEVYQTVHCDBLY-WMZOPIPTSA-N 2 1 349.519 3.360 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CCCC(C)(C)C ZINC001132266034 1375256003 /nfs/dbraw/zinc/25/60/03/1375256003.db2.gz VCMBYPKWDBRYAV-SJORKVTESA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309771 1375287705 /nfs/dbraw/zinc/28/77/05/1375287705.db2.gz DDJFLPLXRZQBIX-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309771 1375287711 /nfs/dbraw/zinc/28/77/11/1375287711.db2.gz DDJFLPLXRZQBIX-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309771 1375287712 /nfs/dbraw/zinc/28/77/12/1375287712.db2.gz DDJFLPLXRZQBIX-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl ZINC001226766677 1375328610 /nfs/dbraw/zinc/32/86/10/1375328610.db2.gz NGLNPDZCBMAUCL-FFDHZPTDSA-N 2 1 341.927 3.019 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl ZINC001226766676 1375328780 /nfs/dbraw/zinc/32/87/80/1375328780.db2.gz NGLNPDZCBMAUCL-BNFMKIAJSA-N 2 1 341.927 3.019 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001132375625 1375338011 /nfs/dbraw/zinc/33/80/11/1375338011.db2.gz GGDOSEOICFEEAF-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCc1ccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]2C)cc1 ZINC001132374964 1375338353 /nfs/dbraw/zinc/33/83/53/1375338353.db2.gz BHKONFXBFXISNM-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132376192 1375338794 /nfs/dbraw/zinc/33/87/94/1375338794.db2.gz KXRLVUDOEZKYSX-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001132381002 1375340582 /nfs/dbraw/zinc/34/05/82/1375340582.db2.gz SXRYSSDXAPQYPV-ASIGSXEYSA-N 2 1 335.536 3.044 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(C)cc2C)C1 ZINC001132409758 1375358679 /nfs/dbraw/zinc/35/86/79/1375358679.db2.gz DTUXOFAZFQVAHN-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C)cc2C)C1 ZINC001132409758 1375358685 /nfs/dbraw/zinc/35/86/85/1375358685.db2.gz DTUXOFAZFQVAHN-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001132409758 1375358688 /nfs/dbraw/zinc/35/86/88/1375358688.db2.gz DTUXOFAZFQVAHN-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132411071 1375359470 /nfs/dbraw/zinc/35/94/70/1375359470.db2.gz SJZCXBYSWRLJTH-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001132411071 1375359476 /nfs/dbraw/zinc/35/94/76/1375359476.db2.gz SJZCXBYSWRLJTH-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001132411071 1375359479 /nfs/dbraw/zinc/35/94/79/1375359479.db2.gz SJZCXBYSWRLJTH-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001132416896 1375365277 /nfs/dbraw/zinc/36/52/77/1375365277.db2.gz ODLQPARSUYQBSB-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccccc2C)C1 ZINC001132437372 1375382543 /nfs/dbraw/zinc/38/25/43/1375382543.db2.gz SMDYTMOGQXZSIC-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2C)C1 ZINC001132437372 1375382548 /nfs/dbraw/zinc/38/25/48/1375382548.db2.gz SMDYTMOGQXZSIC-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C)C1 ZINC001132437372 1375382552 /nfs/dbraw/zinc/38/25/52/1375382552.db2.gz SMDYTMOGQXZSIC-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001227224312 1375408689 /nfs/dbraw/zinc/40/86/89/1375408689.db2.gz CJXVBNMBMOODOW-GUDVDZBRSA-N 2 1 337.552 3.314 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132517291 1375435502 /nfs/dbraw/zinc/43/55/02/1375435502.db2.gz AOZAUQOSSIAMIL-OALUTQOASA-N 2 1 337.552 3.412 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1Cc1ccsc1 ZINC001132524208 1375440293 /nfs/dbraw/zinc/44/02/93/1375440293.db2.gz FOVWLSIEQGFTKB-FUHWJXTLSA-N 2 1 349.544 3.093 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CC1CCCC1 ZINC001132526225 1375442855 /nfs/dbraw/zinc/44/28/55/1375442855.db2.gz ZJENHCRLSIHKCB-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCCC[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001227793031 1375475423 /nfs/dbraw/zinc/47/54/23/1375475423.db2.gz XJZRDFDDIJIJRX-IBGZPJMESA-N 2 1 337.552 3.410 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC001228054879 1375512560 /nfs/dbraw/zinc/51/25/60/1375512560.db2.gz SWHNDIXFMSQPKN-UHFFFAOYSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001228065598 1375514591 /nfs/dbraw/zinc/51/45/91/1375514591.db2.gz RQYONFWVHADFSM-UHFFFAOYSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790662 1375566889 /nfs/dbraw/zinc/56/68/89/1375566889.db2.gz IZXIRTSCXWIGMJ-PKOBYXMFSA-N 2 1 337.552 3.172 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001228931416 1375719364 /nfs/dbraw/zinc/71/93/64/1375719364.db2.gz BHEYKWNKZDWXMO-GUDVDZBRSA-N 2 1 337.552 3.457 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC(C)CC1 ZINC001229523496 1375850614 /nfs/dbraw/zinc/85/06/14/1375850614.db2.gz GBQDJYMJRVIKAR-CSODTCANSA-N 2 1 337.552 3.172 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC001229524109 1375850636 /nfs/dbraw/zinc/85/06/36/1375850636.db2.gz OFSCYXMQDLKQIV-XUVXKRRUSA-N 2 1 343.515 3.033 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001133224774 1375853227 /nfs/dbraw/zinc/85/32/27/1375853227.db2.gz DUKQDPMMOMNFAF-VXOKQSJXSA-N 2 1 337.552 3.149 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCC(C)C)C1 ZINC001133263230 1375879470 /nfs/dbraw/zinc/87/94/70/1375879470.db2.gz REAXBWKWJQUYQT-OALUTQOASA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+](Cc2ccc(CC)cc2)CC1 ZINC001230107335 1375943650 /nfs/dbraw/zinc/94/36/50/1375943650.db2.gz AKYIOVDWVRHNGX-UHFFFAOYSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC001230107813 1375944933 /nfs/dbraw/zinc/94/49/33/1375944933.db2.gz ZCXRBFAWKIDDDI-UHFFFAOYSA-N 2 1 345.531 3.116 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001230274925 1375980427 /nfs/dbraw/zinc/98/04/27/1375980427.db2.gz SXXNVKNCNKJGKF-GUDVDZBRSA-N 2 1 337.552 3.314 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001230334391 1376001387 /nfs/dbraw/zinc/00/13/87/1376001387.db2.gz VBJYVKBHDWGLSY-CALCHBBNSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230598111 1376092881 /nfs/dbraw/zinc/09/28/81/1376092881.db2.gz FOXMCYWFDQZVIA-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+]2CC)CC1 ZINC001230611364 1376101471 /nfs/dbraw/zinc/10/14/71/1376101471.db2.gz RLUCHKRXSXZEQE-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC)CC1 ZINC001230611364 1376101475 /nfs/dbraw/zinc/10/14/75/1376101475.db2.gz RLUCHKRXSXZEQE-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC)CC1 ZINC001230611364 1376101478 /nfs/dbraw/zinc/10/14/78/1376101478.db2.gz RLUCHKRXSXZEQE-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230631111 1376108938 /nfs/dbraw/zinc/10/89/38/1376108938.db2.gz XKPPBXYFISOSCO-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001230631111 1376108942 /nfs/dbraw/zinc/10/89/42/1376108942.db2.gz XKPPBXYFISOSCO-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230631111 1376108947 /nfs/dbraw/zinc/10/89/47/1376108947.db2.gz XKPPBXYFISOSCO-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)C[N@H+]2CCC[C@H]2C)cc1 ZINC001133819762 1376217569 /nfs/dbraw/zinc/21/75/69/1376217569.db2.gz NOWBIVZRZLFJQE-SJORKVTESA-N 2 1 331.504 3.061 20 0 EGADMP c1c(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)[nH]c2cc[nH+]cc12 ZINC001232013705 1376382338 /nfs/dbraw/zinc/38/23/38/1376382338.db2.gz SSVJSIYXFDLVLJ-AZUAARDMSA-N 2 1 341.455 3.113 20 0 EGADMP Clc1cc(OC2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)ncn1 ZINC001232013516 1376382533 /nfs/dbraw/zinc/38/25/33/1376382533.db2.gz AUSQZPGYYVWBAM-UHFFFAOYSA-N 2 1 343.818 3.050 20 0 EGADMP COc1cccnc1O[C@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232018922 1376386362 /nfs/dbraw/zinc/38/63/62/1376386362.db2.gz QZGSBUOYBBRPLJ-INIZCTEOSA-N 2 1 338.411 3.010 20 0 EGADMP Oc1cncc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)c1 ZINC001232041318 1376387460 /nfs/dbraw/zinc/38/74/60/1376387460.db2.gz HJCYSVVUNVJVOH-UHFFFAOYSA-N 2 1 343.496 3.337 20 0 EGADMP Cc1nc(N)ccc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001232341352 1376444894 /nfs/dbraw/zinc/44/48/94/1376444894.db2.gz SQYKPXOGWMKMPG-OAQYLSRUSA-N 2 1 336.483 3.070 20 0 EGADMP Cc1nc(N)ccc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001232341352 1376444897 /nfs/dbraw/zinc/44/48/97/1376444897.db2.gz SQYKPXOGWMKMPG-OAQYLSRUSA-N 2 1 336.483 3.070 20 0 EGADMP Cc1nc(N)ccc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001232341352 1376444901 /nfs/dbraw/zinc/44/49/01/1376444901.db2.gz SQYKPXOGWMKMPG-OAQYLSRUSA-N 2 1 336.483 3.070 20 0 EGADMP Cc1nc(N)ccc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001232341352 1376444909 /nfs/dbraw/zinc/44/49/09/1376444909.db2.gz SQYKPXOGWMKMPG-OAQYLSRUSA-N 2 1 336.483 3.070 20 0 EGADMP C[NH+]1CCC2(C[NH+](Cc3ccc(OCc4ccccc4)nc3)C2)CC1 ZINC001232358975 1376449769 /nfs/dbraw/zinc/44/97/69/1376449769.db2.gz WJZRCINDAFEKNX-UHFFFAOYSA-N 2 1 337.467 3.188 20 0 EGADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(OC)cc1Cl ZINC001232374000 1376453082 /nfs/dbraw/zinc/45/30/82/1376453082.db2.gz VXMUTCXGUVGWDS-UHFFFAOYSA-N 2 1 326.868 3.131 20 0 EGADMP Cc1c[nH]c(=O)c(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)c1 ZINC001233193263 1376582869 /nfs/dbraw/zinc/58/28/69/1376582869.db2.gz VZNMDYQNPKCQGX-UHFFFAOYSA-N 2 1 325.456 3.192 20 0 EGADMP Cc1c[nH]c(=O)c(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC001233193263 1376582873 /nfs/dbraw/zinc/58/28/73/1376582873.db2.gz VZNMDYQNPKCQGX-UHFFFAOYSA-N 2 1 325.456 3.192 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001327213733 1388447018 /nfs/dbraw/zinc/44/70/18/1388447018.db2.gz VGTFMEZSEGZXBP-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H](c1cccc(F)c1)[NH+](C)CCCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001327213733 1388447022 /nfs/dbraw/zinc/44/70/22/1388447022.db2.gz VGTFMEZSEGZXBP-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H](c1cccc(F)c1)[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001327213733 1388447024 /nfs/dbraw/zinc/44/70/24/1388447024.db2.gz VGTFMEZSEGZXBP-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH2+]CCC1=CCCCC1 ZINC001134612906 1376624954 /nfs/dbraw/zinc/62/49/54/1376624954.db2.gz QTFLIKCGTHDYFN-SJORKVTESA-N 2 1 335.536 3.234 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001134723846 1376678402 /nfs/dbraw/zinc/67/84/02/1376678402.db2.gz YVZWQORBQYGLMY-UHFFFAOYSA-N 2 1 348.535 3.463 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001234323914 1376811826 /nfs/dbraw/zinc/81/18/26/1376811826.db2.gz WDCXCKFHMPLBIT-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001234323914 1376811833 /nfs/dbraw/zinc/81/18/33/1376811833.db2.gz WDCXCKFHMPLBIT-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001234323914 1376811840 /nfs/dbraw/zinc/81/18/40/1376811840.db2.gz WDCXCKFHMPLBIT-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP c1ccc2c(c1)Cc1cc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)ccc1-2 ZINC001235035538 1376832648 /nfs/dbraw/zinc/83/26/48/1376832648.db2.gz FINSLNVOZPCSTR-XMSQKQJNSA-N 2 1 334.463 3.068 20 0 EGADMP FC(F)(F)Sc1cccc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235042602 1376839502 /nfs/dbraw/zinc/83/95/02/1376839502.db2.gz YBJZHRMPQYURBS-UKRRQHHQSA-N 2 1 346.418 3.109 20 0 EGADMP COc1nc2ccccc2cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235045723 1376841096 /nfs/dbraw/zinc/84/10/96/1376841096.db2.gz MZORXFPOIZYQIG-FQEVSTJZSA-N 2 1 325.456 3.352 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235045723 1376841102 /nfs/dbraw/zinc/84/11/02/1376841102.db2.gz MZORXFPOIZYQIG-FQEVSTJZSA-N 2 1 325.456 3.352 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135021687 1376851925 /nfs/dbraw/zinc/85/19/25/1376851925.db2.gz RRJDBDHIQPEJII-JKSUJKDBSA-N 2 1 348.535 3.071 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235125287 1376855242 /nfs/dbraw/zinc/85/52/42/1376855242.db2.gz OMEKHMQGCWPVMQ-NHCUHLMSSA-N 2 1 327.516 3.259 20 0 EGADMP COc1cc(F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC001235429856 1376871033 /nfs/dbraw/zinc/87/10/33/1376871033.db2.gz RTSIIIWAVCSHGE-CABCVRRESA-N 2 1 336.451 3.055 20 0 EGADMP c1ccc(-c2ncnc3c2CC[N@@H+](CC[C@@H]2CCCC[NH2+]2)CC3)cc1 ZINC001235585838 1376877808 /nfs/dbraw/zinc/87/78/08/1376877808.db2.gz YQAJGOJOKXBVLA-SFHVURJKSA-N 2 1 336.483 3.076 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1)[NH2+]CC1CCC1 ZINC001135078011 1376882327 /nfs/dbraw/zinc/88/23/27/1376882327.db2.gz XMSZIMGZGAZJSD-SJORKVTESA-N 2 1 337.552 3.314 20 0 EGADMP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3C[NH3+])cc2)cc1 ZINC001235727318 1376886794 /nfs/dbraw/zinc/88/67/94/1376886794.db2.gz XHOPRMLGXBIJSW-FQEVSTJZSA-N 2 1 338.451 3.453 20 0 EGADMP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[C@H]3C[NH3+])cc2)cc1 ZINC001235727318 1376886799 /nfs/dbraw/zinc/88/67/99/1376886799.db2.gz XHOPRMLGXBIJSW-FQEVSTJZSA-N 2 1 338.451 3.453 20 0 EGADMP Clc1cccc([C@@H]2CC[N@@H+](CC[C@@H]3C[NH2+]CCO3)C2)c1Cl ZINC001235885225 1376910592 /nfs/dbraw/zinc/91/05/92/1376910592.db2.gz TWYLNECEKZDKPQ-CHWSQXEVSA-N 2 1 329.271 3.161 20 0 EGADMP COCC[N@H+](Cc1cc(C)c(OC(C)C)c(C)c1)C1CC[NH2+]CC1 ZINC001235945852 1376922619 /nfs/dbraw/zinc/92/26/19/1376922619.db2.gz XKWCXSJXYOZBTF-UHFFFAOYSA-N 2 1 334.504 3.291 20 0 EGADMP COCC[N@@H+](Cc1cc(C)c(OC(C)C)c(C)c1)C1CC[NH2+]CC1 ZINC001235945852 1376922629 /nfs/dbraw/zinc/92/26/29/1376922629.db2.gz XKWCXSJXYOZBTF-UHFFFAOYSA-N 2 1 334.504 3.291 20 0 EGADMP Cc1cccc(-c2ccc(C[N@H+]3CCC[C@@H](N4CC([NH3+])C4)C3)cc2)c1 ZINC001236076503 1376931833 /nfs/dbraw/zinc/93/18/33/1376931833.db2.gz AXXFORTVMNAQSM-JOCHJYFZSA-N 2 1 335.495 3.269 20 0 EGADMP Cc1ccc(-c2cccc(C[N@H+]3CCC[C@H](N4CC([NH3+])C4)C3)c2)cc1 ZINC001236077055 1376932623 /nfs/dbraw/zinc/93/26/23/1376932623.db2.gz FKPKZVVWXZRNGY-QFIPXVFZSA-N 2 1 335.495 3.269 20 0 EGADMP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C[NH3+])cc2)cc1 ZINC001236253662 1376946867 /nfs/dbraw/zinc/94/68/67/1376946867.db2.gz XHOPRMLGXBIJSW-HXUWFJFHSA-N 2 1 338.451 3.453 20 0 EGADMP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3C[NH3+])cc2)cc1 ZINC001236253662 1376946875 /nfs/dbraw/zinc/94/68/75/1376946875.db2.gz XHOPRMLGXBIJSW-HXUWFJFHSA-N 2 1 338.451 3.453 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001246543295 1377052014 /nfs/dbraw/zinc/05/20/14/1377052014.db2.gz MLCFWSIMUOPSJS-YOEHRIQHSA-N 2 1 343.298 3.026 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC[C@H]1CCCC1(F)F ZINC001135437065 1377097033 /nfs/dbraw/zinc/09/70/33/1377097033.db2.gz LWZVZMUSWXODPW-MRXNPFEDSA-N 2 1 347.494 3.030 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C)cc1C ZINC001135437857 1377097709 /nfs/dbraw/zinc/09/77/09/1377097709.db2.gz ZBJWXMYUWLYXQA-UHFFFAOYSA-N 2 1 333.520 3.021 20 0 EGADMP [NH3+]C1(c2ccccc2C(F)(F)F)CC[NH+]([C@@H]2CCCOC2)CC1 ZINC001254372613 1377103388 /nfs/dbraw/zinc/10/33/88/1377103388.db2.gz XOQGRUIEKAVXRW-CYBMUJFWSA-N 2 1 328.378 3.134 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+]C2CCN(Cc3cc(F)ccc3F)CC2)CC1 ZINC001254510190 1377105858 /nfs/dbraw/zinc/10/58/58/1377105858.db2.gz SQTNEXNABGHLAB-KRWDZBQOSA-N 2 1 337.458 3.003 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254530037 1377107086 /nfs/dbraw/zinc/10/70/86/1377107086.db2.gz TYHXGHXIWXGRSI-XUVXKRRUSA-N 2 1 344.499 3.282 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254530037 1377107087 /nfs/dbraw/zinc/10/70/87/1377107087.db2.gz TYHXGHXIWXGRSI-XUVXKRRUSA-N 2 1 344.499 3.282 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254530037 1377107090 /nfs/dbraw/zinc/10/70/90/1377107090.db2.gz TYHXGHXIWXGRSI-XUVXKRRUSA-N 2 1 344.499 3.282 20 0 EGADMP CC(C)(C)OC(=O)N1CCC2(CCC([NH2+]C3(C[NH3+])CC3)CC2)CC1 ZINC001254792795 1377108826 /nfs/dbraw/zinc/10/88/26/1377108826.db2.gz HIVKPLRMAXLRHR-UHFFFAOYSA-N 2 1 337.508 3.027 20 0 EGADMP CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135477479 1377111559 /nfs/dbraw/zinc/11/15/59/1377111559.db2.gz VNGFZBHRSHFUCN-CZDHMLMNSA-N 2 1 325.541 3.194 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135481104 1377113046 /nfs/dbraw/zinc/11/30/46/1377113046.db2.gz QDAKCNUOXNIYDV-HZPDHXFCSA-N 2 1 327.557 3.273 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCCF ZINC001135584422 1377155262 /nfs/dbraw/zinc/15/52/62/1377155262.db2.gz NALSCERLHILUTP-JKSUJKDBSA-N 2 1 340.487 3.019 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(C)(C)C ZINC001135680401 1377181616 /nfs/dbraw/zinc/18/16/16/1377181616.db2.gz VKRLWNXUUCVCFW-JKSUJKDBSA-N 2 1 336.524 3.281 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001135861641 1377238648 /nfs/dbraw/zinc/23/86/48/1377238648.db2.gz UYBKMFYTWFIXHM-SJORKVTESA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001135974838 1377283649 /nfs/dbraw/zinc/28/36/49/1377283649.db2.gz WKAMWKHWPQKIMK-ZWKOTPCHSA-N 2 1 333.520 3.100 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1sccc1Cl ZINC001135976997 1377284563 /nfs/dbraw/zinc/28/45/63/1377284563.db2.gz PHTAIXOPYVNAJF-STQMWFEESA-N 2 1 345.940 3.116 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135981132 1377285784 /nfs/dbraw/zinc/28/57/84/1377285784.db2.gz YOACEWUNNKLUFN-ROUUACIJSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCc1ccc(CC)cc1 ZINC001135980304 1377286110 /nfs/dbraw/zinc/28/61/10/1377286110.db2.gz NIYQNQFNMFQWES-ZWKOTPCHSA-N 2 1 347.547 3.006 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1ccccc1 ZINC001135995411 1377291711 /nfs/dbraw/zinc/29/17/11/1377291711.db2.gz FAPNTANWPVOKMH-OALUTQOASA-N 2 1 347.547 3.224 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001266361366 1377296149 /nfs/dbraw/zinc/29/61/49/1377296149.db2.gz LVZUMRDYDHEDOO-QUCCMNQESA-N 2 1 343.515 3.123 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC001136759340 1377420570 /nfs/dbraw/zinc/42/05/70/1377420570.db2.gz CMAYZWXJIHPNCZ-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001136759340 1377420571 /nfs/dbraw/zinc/42/05/71/1377420571.db2.gz CMAYZWXJIHPNCZ-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC001136759340 1377420572 /nfs/dbraw/zinc/42/05/72/1377420572.db2.gz CMAYZWXJIHPNCZ-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC001137189747 1377493570 /nfs/dbraw/zinc/49/35/70/1377493570.db2.gz FWTNWPITNSCVET-KRWDZBQOSA-N 2 1 335.407 3.297 20 0 EGADMP COc1cccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001137535352 1377562404 /nfs/dbraw/zinc/56/24/04/1377562404.db2.gz JEVSSFAXINLCKJ-OALUTQOASA-N 2 1 337.467 3.044 20 0 EGADMP C[NH+]1CCN(C2CC[NH+](Cc3c[nH]c4ccc(Cl)cc34)CC2)CC1 ZINC001137712635 1377602319 /nfs/dbraw/zinc/60/23/19/1377602319.db2.gz KXSSQOXLNKNXMI-UHFFFAOYSA-N 2 1 346.906 3.033 20 0 EGADMP CN(C)c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001138494367 1377733299 /nfs/dbraw/zinc/73/32/99/1377733299.db2.gz RTJRMQBYQAOMRO-ROUUACIJSA-N 2 1 341.524 3.378 20 0 EGADMP Cc1nccn1-c1ccc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001138547524 1377739480 /nfs/dbraw/zinc/73/94/80/1377739480.db2.gz NYWNCZIUORIKEL-QGZVFWFLSA-N 2 1 341.455 3.344 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001138547524 1377739483 /nfs/dbraw/zinc/73/94/83/1377739483.db2.gz NYWNCZIUORIKEL-QGZVFWFLSA-N 2 1 341.455 3.344 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001138547524 1377739488 /nfs/dbraw/zinc/73/94/88/1377739488.db2.gz NYWNCZIUORIKEL-QGZVFWFLSA-N 2 1 341.455 3.344 20 0 EGADMP CCOC(=O)[C@H]1CCCCN1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138547916 1377740120 /nfs/dbraw/zinc/74/01/20/1377740120.db2.gz WMKBDNVLDWTBII-GOSISDBHSA-N 2 1 327.428 3.098 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCN(c3cccc(O)c3)CC2)cc1 ZINC001138550154 1377740233 /nfs/dbraw/zinc/74/02/33/1377740233.db2.gz LKTZWBNVTFMROE-UHFFFAOYSA-N 2 1 348.450 3.209 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccn3)C2)cc1 ZINC001138550482 1377740797 /nfs/dbraw/zinc/74/07/97/1377740797.db2.gz VFUKGOLNCOYYCF-LJQANCHMSA-N 2 1 349.438 3.014 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H](Oc3ncccn3)C2)cc1 ZINC001138550482 1377740800 /nfs/dbraw/zinc/74/08/00/1377740800.db2.gz VFUKGOLNCOYYCF-LJQANCHMSA-N 2 1 349.438 3.014 20 0 EGADMP CCSc1ncc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)cn1 ZINC001138655898 1377763634 /nfs/dbraw/zinc/76/36/34/1377763634.db2.gz NQYTUOVRTCONCX-UHFFFAOYSA-N 2 1 343.500 3.031 20 0 EGADMP CNc1ncccc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001138695266 1377769789 /nfs/dbraw/zinc/76/97/89/1377769789.db2.gz ZXBQMMCLSCTGRR-QUCCMNQESA-N 2 1 336.483 3.077 20 0 EGADMP Cc1cnccc1O[C@@H]1CCN(Cc2cnn(Cc3ccccc3)c2)C1 ZINC001138767663 1377781919 /nfs/dbraw/zinc/78/19/19/1377781919.db2.gz MVOAQBYYXYAMCG-HXUWFJFHSA-N 2 1 348.450 3.288 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001138772590 1377782464 /nfs/dbraw/zinc/78/24/64/1377782464.db2.gz SAYLADNMFKGMMT-UHFFFAOYSA-N 3 1 347.547 3.179 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)cc2)cn1 ZINC001327433954 1388518371 /nfs/dbraw/zinc/51/83/71/1388518371.db2.gz NJMVJKISRBSLRZ-FQEVSTJZSA-N 2 1 338.499 3.251 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)s2)CC1 ZINC001139323618 1377867755 /nfs/dbraw/zinc/86/77/55/1377867755.db2.gz OVUUHRVSBQTKBK-WBVHZDCISA-N 2 1 334.533 3.050 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)s2)CC1 ZINC001139323618 1377867756 /nfs/dbraw/zinc/86/77/56/1377867756.db2.gz OVUUHRVSBQTKBK-WBVHZDCISA-N 2 1 334.533 3.050 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)s2)CC1 ZINC001139323615 1377867768 /nfs/dbraw/zinc/86/77/68/1377867768.db2.gz OVUUHRVSBQTKBK-DOTOQJQBSA-N 2 1 334.533 3.050 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)s2)CC1 ZINC001139323615 1377867770 /nfs/dbraw/zinc/86/77/70/1377867770.db2.gz OVUUHRVSBQTKBK-DOTOQJQBSA-N 2 1 334.533 3.050 20 0 EGADMP Cn1ncc2ccc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cc21 ZINC001139909551 1377976486 /nfs/dbraw/zinc/97/64/86/1377976486.db2.gz WUEYKDMILLEVAY-IBGZPJMESA-N 2 1 326.488 3.414 20 0 EGADMP Cn1ncc2ccc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cc21 ZINC001139909551 1377976488 /nfs/dbraw/zinc/97/64/88/1377976488.db2.gz WUEYKDMILLEVAY-IBGZPJMESA-N 2 1 326.488 3.414 20 0 EGADMP COc1ccc2n[nH]c(C[N@@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)c2c1 ZINC001140069537 1378001258 /nfs/dbraw/zinc/00/12/58/1378001258.db2.gz YMAWVCMGTAEADQ-HOTGVXAUSA-N 2 1 342.487 3.410 20 0 EGADMP COc1ccc2n[nH]c(C[N@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)c2c1 ZINC001140069537 1378001259 /nfs/dbraw/zinc/00/12/59/1378001259.db2.gz YMAWVCMGTAEADQ-HOTGVXAUSA-N 2 1 342.487 3.410 20 0 EGADMP COc1ccc2n[nH]c(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)c2c1 ZINC001140069537 1378001262 /nfs/dbraw/zinc/00/12/62/1378001262.db2.gz YMAWVCMGTAEADQ-HOTGVXAUSA-N 2 1 342.487 3.410 20 0 EGADMP COc1ccc2n[nH]c(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@H+]3C)c2c1 ZINC001140069537 1378001264 /nfs/dbraw/zinc/00/12/64/1378001264.db2.gz YMAWVCMGTAEADQ-HOTGVXAUSA-N 2 1 342.487 3.410 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2ncc(Br)cc12 ZINC001140462103 1378067396 /nfs/dbraw/zinc/06/73/96/1378067396.db2.gz QHFULILHAFQHDC-UHFFFAOYSA-N 2 1 339.281 3.099 20 0 EGADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140806442 1378147279 /nfs/dbraw/zinc/14/72/79/1378147279.db2.gz HTSMIGNNVFAMFL-AWEZNQCLSA-N 2 1 344.459 3.252 20 0 EGADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140806442 1378147282 /nfs/dbraw/zinc/14/72/82/1378147282.db2.gz HTSMIGNNVFAMFL-AWEZNQCLSA-N 2 1 344.459 3.252 20 0 EGADMP C[N@H+]1CC[C@@]2(C1)CCCN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C2 ZINC001276492580 1378175809 /nfs/dbraw/zinc/17/58/09/1378175809.db2.gz WMJSZYFZZPCFPW-FCHUYYIVSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCCN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C2 ZINC001276492580 1378175812 /nfs/dbraw/zinc/17/58/12/1378175812.db2.gz WMJSZYFZZPCFPW-FCHUYYIVSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCCN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C2 ZINC001276492580 1378175813 /nfs/dbraw/zinc/17/58/13/1378175813.db2.gz WMJSZYFZZPCFPW-FCHUYYIVSA-N 2 1 341.543 3.459 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)CC1 ZINC001276492496 1378176011 /nfs/dbraw/zinc/17/60/11/1378176011.db2.gz VECZNCMKPLVDGA-OAQYLSRUSA-N 2 1 344.547 3.035 20 0 EGADMP CC[NH+]1CCC(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)CC1 ZINC001276492496 1378176016 /nfs/dbraw/zinc/17/60/16/1378176016.db2.gz VECZNCMKPLVDGA-OAQYLSRUSA-N 3 1 344.547 3.035 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)CC1 ZINC001276492496 1378176020 /nfs/dbraw/zinc/17/60/20/1378176020.db2.gz VECZNCMKPLVDGA-OAQYLSRUSA-N 3 1 344.547 3.035 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)CC1 ZINC001276492496 1378176022 /nfs/dbraw/zinc/17/60/22/1378176022.db2.gz VECZNCMKPLVDGA-OAQYLSRUSA-N 3 1 344.547 3.035 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)CC1 ZINC001276492496 1378176024 /nfs/dbraw/zinc/17/60/24/1378176024.db2.gz VECZNCMKPLVDGA-OAQYLSRUSA-N 3 1 344.547 3.035 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC001140973206 1378197005 /nfs/dbraw/zinc/19/70/05/1378197005.db2.gz GRLWWTFJVNNVBT-NRFANRHFSA-N 2 1 336.483 3.171 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc3cccc(O)c3n2)CC1 ZINC001141022711 1378210443 /nfs/dbraw/zinc/21/04/43/1378210443.db2.gz KOBGKEXKANPLHH-UHFFFAOYSA-N 2 1 348.450 3.383 20 0 EGADMP Cn1ccc(-c2ccc(C[NH+]3CCC4(CCC[N@@H+](C)C4)CC3)cc2)n1 ZINC001277254700 1378213459 /nfs/dbraw/zinc/21/34/59/1378213459.db2.gz YIHRXGDXNVXXEX-UHFFFAOYSA-N 2 1 338.499 3.395 20 0 EGADMP CN(C)c1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1 ZINC001141259218 1378285400 /nfs/dbraw/zinc/28/54/00/1378285400.db2.gz HOAAXMWATIKCIE-QZTJIDSGSA-N 2 1 341.524 3.378 20 0 EGADMP c1n[nH]cc1C[N@H+]1CCC2(C1)CC[NH+](Cc1c[nH]c3ccccc13)CC2 ZINC001279170568 1378300429 /nfs/dbraw/zinc/30/04/29/1378300429.db2.gz BFTKYNQMWASQNX-UHFFFAOYSA-N 2 1 349.482 3.379 20 0 EGADMP C[N@H+](Cc1c[nH]c2cc(Br)ccc12)C1CC[NH+](C)CC1 ZINC001142387765 1378438397 /nfs/dbraw/zinc/43/83/97/1378438397.db2.gz FCJZAYCLEIDOPT-UHFFFAOYSA-N 2 1 336.277 3.456 20 0 EGADMP C[N@@H+](Cc1c[nH]c2cc(Br)ccc12)C1CC[NH+](C)CC1 ZINC001142387765 1378438401 /nfs/dbraw/zinc/43/84/01/1378438401.db2.gz FCJZAYCLEIDOPT-UHFFFAOYSA-N 2 1 336.277 3.456 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccnc5[nH]ccc54)C[C@@H]3C2)cc1 ZINC001142873348 1378500010 /nfs/dbraw/zinc/50/00/10/1378500010.db2.gz NFLQCBAMWOQBHK-BGYRXZFFSA-N 2 1 346.478 3.435 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccnc5[nH]ccc54)C[C@@H]3C2)cc1 ZINC001142873348 1378500011 /nfs/dbraw/zinc/50/00/11/1378500011.db2.gz NFLQCBAMWOQBHK-BGYRXZFFSA-N 2 1 346.478 3.435 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccnc5[nH]ccc54)C[C@@H]3C2)cc1 ZINC001142873348 1378500015 /nfs/dbraw/zinc/50/00/15/1378500015.db2.gz NFLQCBAMWOQBHK-BGYRXZFFSA-N 2 1 346.478 3.435 20 0 EGADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1C(F)(F)F ZINC001143350305 1378584898 /nfs/dbraw/zinc/58/48/98/1378584898.db2.gz GTPCFZTUOPLNNL-UHFFFAOYSA-N 2 1 330.394 3.488 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC2(C1)CCC[N@@H+](CC1CCCCCC1)C2 ZINC001282972943 1378693387 /nfs/dbraw/zinc/69/33/87/1378693387.db2.gz OPIUBFINELTDHU-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP Oc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc1 ZINC001144259175 1378706265 /nfs/dbraw/zinc/70/62/65/1378706265.db2.gz LLZODLDGFLRWKT-UHFFFAOYSA-N 2 1 337.467 3.275 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707259 1378904049 /nfs/dbraw/zinc/90/40/49/1378904049.db2.gz PTNNPZLMHZMASI-ROUUACIJSA-N 2 1 347.547 3.428 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707259 1378904053 /nfs/dbraw/zinc/90/40/53/1378904053.db2.gz PTNNPZLMHZMASI-ROUUACIJSA-N 2 1 347.547 3.428 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C/C=C/c1ccccc1 ZINC001147348164 1379007437 /nfs/dbraw/zinc/00/74/37/1379007437.db2.gz GCTMLRIESUEYLL-RGFVMQALSA-N 2 1 343.515 3.060 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC001147774161 1379076721 /nfs/dbraw/zinc/07/67/21/1379076721.db2.gz RPYMPTXDKUTDBE-RBUKOAKNSA-N 2 1 347.547 3.118 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)C1 ZINC001147774161 1379076727 /nfs/dbraw/zinc/07/67/27/1379076727.db2.gz RPYMPTXDKUTDBE-RBUKOAKNSA-N 2 1 347.547 3.118 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)C1 ZINC001147774161 1379076734 /nfs/dbraw/zinc/07/67/34/1379076734.db2.gz RPYMPTXDKUTDBE-RBUKOAKNSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)=CC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001147985465 1379103194 /nfs/dbraw/zinc/10/31/94/1379103194.db2.gz ICEBQWFSJIGQPI-UHFFFAOYSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147985465 1379103195 /nfs/dbraw/zinc/10/31/95/1379103195.db2.gz ICEBQWFSJIGQPI-UHFFFAOYSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147985465 1379103196 /nfs/dbraw/zinc/10/31/96/1379103196.db2.gz ICEBQWFSJIGQPI-UHFFFAOYSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001148643162 1379233061 /nfs/dbraw/zinc/23/30/61/1379233061.db2.gz SKNGVWVDINIMEE-LBPRGKRZSA-N 2 1 346.302 3.102 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@H](CC)c1ccccc1)C2 ZINC001148651756 1379234000 /nfs/dbraw/zinc/23/40/00/1379234000.db2.gz PFOVXHHDBSWCQC-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](CC)c1ccccc1)C2 ZINC001148651756 1379234003 /nfs/dbraw/zinc/23/40/03/1379234003.db2.gz PFOVXHHDBSWCQC-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+]([C@H](CC)c1ccccc1)C2 ZINC001148651756 1379234008 /nfs/dbraw/zinc/23/40/08/1379234008.db2.gz PFOVXHHDBSWCQC-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC2(C1)CC[N@@H+](CCCC(C)(C)C)C2 ZINC001148819992 1379275576 /nfs/dbraw/zinc/27/55/76/1379275576.db2.gz SFZHFYKKEDHZOC-ROUUACIJSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC001152528316 1379945650 /nfs/dbraw/zinc/94/56/50/1379945650.db2.gz DBUQXSOWKYYQHA-XLIONFOSSA-N 2 1 339.483 3.065 20 0 EGADMP CC1CC(C[NH2+]C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C)C1 ZINC001284629728 1380032772 /nfs/dbraw/zinc/03/27/72/1380032772.db2.gz GBILTLPEKOOEMR-JCYILVPMSA-N 2 1 339.568 3.131 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCCC(C)(C)C)CC[N@H+]1C ZINC001153501371 1380085924 /nfs/dbraw/zinc/08/59/24/1380085924.db2.gz MAFWBZBRTUGDQB-FGTMMUONSA-N 2 1 339.568 3.370 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCC(C)(C)C)CC[NH+]1C ZINC001153501371 1380085925 /nfs/dbraw/zinc/08/59/25/1380085925.db2.gz MAFWBZBRTUGDQB-FGTMMUONSA-N 2 1 339.568 3.370 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCC(C)(C)C)CC[NH+]1C ZINC001153501371 1380085927 /nfs/dbraw/zinc/08/59/27/1380085927.db2.gz MAFWBZBRTUGDQB-FGTMMUONSA-N 2 1 339.568 3.370 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CC(C)(C)C1 ZINC001153720333 1380118963 /nfs/dbraw/zinc/11/89/63/1380118963.db2.gz CGAIBGQNDFTHFJ-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC1CC(C)(C)C1 ZINC001153720333 1380118965 /nfs/dbraw/zinc/11/89/65/1380118965.db2.gz CGAIBGQNDFTHFJ-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(C)(C)C1 ZINC001153720333 1380118967 /nfs/dbraw/zinc/11/89/67/1380118967.db2.gz CGAIBGQNDFTHFJ-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116544 1380211795 /nfs/dbraw/zinc/21/17/95/1380211795.db2.gz PJPUSWCYWADJQR-OAHLLOKOSA-N 2 1 330.476 3.129 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154347572 1380261126 /nfs/dbraw/zinc/26/11/26/1380261126.db2.gz HLLUEWILXULSAB-OAHLLOKOSA-N 2 1 330.476 3.211 20 0 EGADMP CC[N@@H+](C/C=C/Cl)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464447 1380282943 /nfs/dbraw/zinc/28/29/43/1380282943.db2.gz LHXJWVLQCFYJKX-OQRGYWNNSA-N 2 1 343.943 3.220 20 0 EGADMP CC[NH+](C/C=C/Cl)[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001154464447 1380282945 /nfs/dbraw/zinc/28/29/45/1380282945.db2.gz LHXJWVLQCFYJKX-OQRGYWNNSA-N 2 1 343.943 3.220 20 0 EGADMP CC[NH+](C/C=C/Cl)[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001154464447 1380282946 /nfs/dbraw/zinc/28/29/46/1380282946.db2.gz LHXJWVLQCFYJKX-OQRGYWNNSA-N 2 1 343.943 3.220 20 0 EGADMP CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154480995 1380285689 /nfs/dbraw/zinc/28/56/89/1380285689.db2.gz JTJGOVXWCGZUIP-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154481989 1380286560 /nfs/dbraw/zinc/28/65/60/1380286560.db2.gz VUEOWHMXUPBIOY-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898335 1380374405 /nfs/dbraw/zinc/37/44/05/1380374405.db2.gz INFRKZYPZKHNOY-QGZVFWFLSA-N 2 1 335.536 3.045 20 0 EGADMP CC[N@@H+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904187 1380374564 /nfs/dbraw/zinc/37/45/64/1380374564.db2.gz OJFDUFCLTBKOHN-GOSISDBHSA-N 2 1 347.547 3.478 20 0 EGADMP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154903798 1380374654 /nfs/dbraw/zinc/37/46/54/1380374654.db2.gz DUCAPCIZRFZQID-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH]cnc21 ZINC001155193843 1380422422 /nfs/dbraw/zinc/42/24/22/1380422422.db2.gz RRMWXLJLXSATQG-NVXWUHKLSA-N 2 1 346.519 3.237 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH]cnc21 ZINC001155193843 1380422423 /nfs/dbraw/zinc/42/24/23/1380422423.db2.gz RRMWXLJLXSATQG-NVXWUHKLSA-N 2 1 346.519 3.237 20 0 EGADMP Cc1ccc2c(C)cc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)[nH+]c2c1C ZINC001155625882 1380475405 /nfs/dbraw/zinc/47/54/05/1380475405.db2.gz NYSBFMVZYFIYEL-JXFKEZNVSA-N 2 1 325.456 3.483 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131228 1380529295 /nfs/dbraw/zinc/52/92/95/1380529295.db2.gz IRHYILQSPOLBJC-CNZFZVQHSA-N 2 1 337.552 3.290 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001156298836 1380553879 /nfs/dbraw/zinc/55/38/79/1380553879.db2.gz DAHZPSNXXSNMMQ-QGZVFWFLSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428205 1380574745 /nfs/dbraw/zinc/57/47/45/1380574745.db2.gz AWDDQPXMXQCYEY-OAHLLOKOSA-N 2 1 334.508 3.024 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428785 1380575157 /nfs/dbraw/zinc/57/51/57/1380575157.db2.gz ZUZKGZLGFNBIJW-MRXNPFEDSA-N 2 1 334.508 3.024 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475390 1380581304 /nfs/dbraw/zinc/58/13/04/1380581304.db2.gz CNUQEBNBTMBOIO-QZEKMECESA-N 2 1 325.541 3.291 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCNc1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001156926318 1380730848 /nfs/dbraw/zinc/73/08/48/1380730848.db2.gz XMEHRGWIPLQTLX-KRWDZBQOSA-N 2 1 346.519 3.136 20 0 EGADMP COCc1ccnc(N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)c1 ZINC001157066824 1380766620 /nfs/dbraw/zinc/76/66/20/1380766620.db2.gz NLZJITMCNACDDR-UHFFFAOYSA-N 2 1 343.446 3.468 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157091788 1380774450 /nfs/dbraw/zinc/77/44/50/1380774450.db2.gz BOUGJOAKLPEUGC-LJQANCHMSA-N 2 1 345.531 3.198 20 0 EGADMP CC[N@@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109330 1380777536 /nfs/dbraw/zinc/77/75/36/1380777536.db2.gz NELLYNDBIDKPCD-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](Cc1cccc(C)c1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001157109330 1380777538 /nfs/dbraw/zinc/77/75/38/1380777538.db2.gz NELLYNDBIDKPCD-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109482 1380778012 /nfs/dbraw/zinc/77/80/12/1380778012.db2.gz PACZNCRLHMVPAH-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCCC1CCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001157109482 1380778017 /nfs/dbraw/zinc/77/80/17/1380778017.db2.gz PACZNCRLHMVPAH-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113329 1380778996 /nfs/dbraw/zinc/77/89/96/1380778996.db2.gz HOTFHPVROQEGBL-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157113329 1380779002 /nfs/dbraw/zinc/77/90/02/1380779002.db2.gz HOTFHPVROQEGBL-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157113329 1380779004 /nfs/dbraw/zinc/77/90/04/1380779004.db2.gz HOTFHPVROQEGBL-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157137966 1380783990 /nfs/dbraw/zinc/78/39/90/1380783990.db2.gz KDFVHOOCPBLVKO-QGZVFWFLSA-N 2 1 345.531 3.379 20 0 EGADMP C[N@@H+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157701406 1381008189 /nfs/dbraw/zinc/00/81/89/1381008189.db2.gz DNQZUCGJTZMDBU-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001157701406 1381008193 /nfs/dbraw/zinc/00/81/93/1381008193.db2.gz DNQZUCGJTZMDBU-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001157701406 1381008196 /nfs/dbraw/zinc/00/81/96/1381008196.db2.gz DNQZUCGJTZMDBU-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CCC1(Nc2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)C[NH2+]C1 ZINC001157785191 1381031788 /nfs/dbraw/zinc/03/17/88/1381031788.db2.gz UPCBFMREEJCSFT-UHFFFAOYSA-N 2 1 345.516 3.068 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccc(F)cc1 ZINC001157893392 1381063537 /nfs/dbraw/zinc/06/35/37/1381063537.db2.gz FEHYVBFRJPYYIU-RBUKOAKNSA-N 2 1 349.494 3.246 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC001157893813 1381064471 /nfs/dbraw/zinc/06/44/71/1381064471.db2.gz NNGVYOCOTDFKSB-PMACEKPBSA-N 2 1 343.515 3.033 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C)cs1 ZINC001328253614 1388699505 /nfs/dbraw/zinc/69/95/05/1388699505.db2.gz BMLFAMXCMVDCPK-WMLDXEAASA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@H](NC(=O)C[N@H+](C)C3CCC3)C[C@@H]2C)cs1 ZINC001328253614 1388699508 /nfs/dbraw/zinc/69/95/08/1388699508.db2.gz BMLFAMXCMVDCPK-WMLDXEAASA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C)cs1 ZINC001328253614 1388699512 /nfs/dbraw/zinc/69/95/12/1388699512.db2.gz BMLFAMXCMVDCPK-WMLDXEAASA-N 2 1 349.544 3.010 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCC2CC2)C1 ZINC001158065076 1381117852 /nfs/dbraw/zinc/11/78/52/1381117852.db2.gz DETASXBJAKWAQS-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CCC2CC2)C1 ZINC001158065076 1381117858 /nfs/dbraw/zinc/11/78/58/1381117858.db2.gz DETASXBJAKWAQS-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCC2CC2)C1 ZINC001158065076 1381117864 /nfs/dbraw/zinc/11/78/64/1381117864.db2.gz DETASXBJAKWAQS-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC1(C)CC(C[NH2+]CCCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001158099966 1381127487 /nfs/dbraw/zinc/12/74/87/1381127487.db2.gz UGOGIZHSSSNJJC-SFHVURJKSA-N 2 1 349.563 3.173 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001158165370 1381146402 /nfs/dbraw/zinc/14/64/02/1381146402.db2.gz VQMOWRLSECJROY-GOSISDBHSA-N 2 1 342.487 3.369 20 0 EGADMP CC1(C)C[C@H](Nc2cc[nH+]c(N3CCCCC3)n2)C[C@@](C)(C[NH3+])C1 ZINC001158265636 1381178120 /nfs/dbraw/zinc/17/81/20/1381178120.db2.gz PCLQLRPVJJPDGV-HNAYVOBHSA-N 2 1 331.508 3.423 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH2+]Cc1ccccc1C ZINC001158354224 1381214466 /nfs/dbraw/zinc/21/44/66/1381214466.db2.gz FICQGJOZWUFPHH-KRWDZBQOSA-N 2 1 342.487 3.001 20 0 EGADMP Cc1ccc(C)c(C[N@H+](C)C[C@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001158433996 1381244512 /nfs/dbraw/zinc/24/45/12/1381244512.db2.gz GHDDVNSIYTWWNG-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158438604 1381247537 /nfs/dbraw/zinc/24/75/37/1381247537.db2.gz ZRCOAGAYZLTBIE-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccccc1 ZINC001158768404 1381390970 /nfs/dbraw/zinc/39/09/70/1381390970.db2.gz VYOVWBSWGWZQFU-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC001158923160 1381465879 /nfs/dbraw/zinc/46/58/79/1381465879.db2.gz RHAUQDPMUGGQMX-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCCC1 ZINC001158923160 1381465884 /nfs/dbraw/zinc/46/58/84/1381465884.db2.gz RHAUQDPMUGGQMX-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCCC1 ZINC001158923160 1381465891 /nfs/dbraw/zinc/46/58/91/1381465891.db2.gz RHAUQDPMUGGQMX-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]C/C=C/c1ccccc1 ZINC001159902226 1381932692 /nfs/dbraw/zinc/93/26/92/1381932692.db2.gz VCTWXCXWWALAQL-OJWOGGGRSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159909170 1381933945 /nfs/dbraw/zinc/93/39/45/1381933945.db2.gz KNJYURHVFNROBU-PKOBYXMFSA-N 2 1 337.552 3.172 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001159909245 1381934024 /nfs/dbraw/zinc/93/40/24/1381934024.db2.gz MCCHRHAGVPKJSJ-QUCCMNQESA-N 2 1 345.531 3.415 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001159909246 1381934551 /nfs/dbraw/zinc/93/45/51/1381934551.db2.gz MCCHRHAGVPKJSJ-UYAOXDASSA-N 2 1 345.531 3.415 20 0 EGADMP [NH3+][C@H]1CCCN(c2ccccc2Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC001159982096 1381958402 /nfs/dbraw/zinc/95/84/02/1381958402.db2.gz IFQZGWGSNVDLHN-LBPRGKRZSA-N 2 1 336.361 3.193 20 0 EGADMP CCc1ccc([C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[NH+](CC)CC)cc1 ZINC001160110325 1382000309 /nfs/dbraw/zinc/00/03/09/1382000309.db2.gz AIOBUSMFJSGYSN-UXHICEINSA-N 2 1 345.531 3.232 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120309 1382003509 /nfs/dbraw/zinc/00/35/09/1382003509.db2.gz LLMWZHRIKJZUAO-HKUYNNGSSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160120309 1382003515 /nfs/dbraw/zinc/00/35/15/1382003515.db2.gz LLMWZHRIKJZUAO-HKUYNNGSSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160120309 1382003530 /nfs/dbraw/zinc/00/35/30/1382003530.db2.gz LLMWZHRIKJZUAO-HKUYNNGSSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCCNC(=O)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001160275010 1382057903 /nfs/dbraw/zinc/05/79/03/1382057903.db2.gz YPKGOYYDWFYLSY-HXUWFJFHSA-N 2 1 345.531 3.280 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCCC(C)C)CC1 ZINC001160285576 1382061430 /nfs/dbraw/zinc/06/14/30/1382061430.db2.gz IGQIAIOLOSPGGA-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCCC(C)C)CC1 ZINC001160285576 1382061437 /nfs/dbraw/zinc/06/14/37/1382061437.db2.gz IGQIAIOLOSPGGA-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCCC(C)C)CC1 ZINC001160285576 1382061442 /nfs/dbraw/zinc/06/14/42/1382061442.db2.gz IGQIAIOLOSPGGA-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP C[N@@H+](CC(=O)NCCC1=CC[NH+](CC2=CCCCC2)CC1)C1CCC1 ZINC001160379109 1382088215 /nfs/dbraw/zinc/08/82/15/1382088215.db2.gz BTFUMLNQEUKJQG-UHFFFAOYSA-N 2 1 345.531 3.110 20 0 EGADMP C[NH+](CC(=O)NCCC1=CC[N@H+](CC2=CCCCC2)CC1)C1CCC1 ZINC001160379109 1382088221 /nfs/dbraw/zinc/08/82/21/1382088221.db2.gz BTFUMLNQEUKJQG-UHFFFAOYSA-N 2 1 345.531 3.110 20 0 EGADMP C[NH+](CC(=O)NCCC1=CC[N@@H+](CC2=CCCCC2)CC1)C1CCC1 ZINC001160379109 1382088224 /nfs/dbraw/zinc/08/82/24/1382088224.db2.gz BTFUMLNQEUKJQG-UHFFFAOYSA-N 2 1 345.531 3.110 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160467449 1382114650 /nfs/dbraw/zinc/11/46/50/1382114650.db2.gz STZQJFHFHUWRSP-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160467449 1382114654 /nfs/dbraw/zinc/11/46/54/1382114654.db2.gz STZQJFHFHUWRSP-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160467449 1382114655 /nfs/dbraw/zinc/11/46/55/1382114655.db2.gz STZQJFHFHUWRSP-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001292098203 1382169786 /nfs/dbraw/zinc/16/97/86/1382169786.db2.gz PQNZJZNGIAGJBZ-CALCHBBNSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C(C)C)c1 ZINC001292582074 1382204275 /nfs/dbraw/zinc/20/42/75/1382204275.db2.gz IHHZWVNEKVWKTQ-FQEVSTJZSA-N 2 1 345.531 3.298 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160857303 1382218177 /nfs/dbraw/zinc/21/81/77/1382218177.db2.gz ZPDQPANJVAJUBR-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC2=CC[NH+](CC=C(C)C)CC2)C1 ZINC001160985508 1382261803 /nfs/dbraw/zinc/26/18/03/1382261803.db2.gz FLWGZXSCENXQIN-FQEVSTJZSA-N 2 1 347.547 3.213 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCCC2=CC[N@H+](CC=C(C)C)CC2)C1 ZINC001160985508 1382261812 /nfs/dbraw/zinc/26/18/12/1382261812.db2.gz FLWGZXSCENXQIN-FQEVSTJZSA-N 2 1 347.547 3.213 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCCC2=CC[N@@H+](CC=C(C)C)CC2)C1 ZINC001160985508 1382261819 /nfs/dbraw/zinc/26/18/19/1382261819.db2.gz FLWGZXSCENXQIN-FQEVSTJZSA-N 2 1 347.547 3.213 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161133763 1382312815 /nfs/dbraw/zinc/31/28/15/1382312815.db2.gz PMHWJJBTAFURPG-IHHMQQGQSA-N 2 1 335.536 3.067 20 0 EGADMP COC(=O)c1cccc(C[NH+]2CCC(Nc3cc(C)cc[nH+]3)CC2)c1 ZINC001161169980 1382324078 /nfs/dbraw/zinc/32/40/78/1382324078.db2.gz QBWBHSKPONUDLP-UHFFFAOYSA-N 2 1 339.439 3.253 20 0 EGADMP CC[C@@H](C(=O)NCCC1=CC[N@@H+](CC2CCCCCC2)CC1)[NH+](C)C ZINC001161230933 1382349769 /nfs/dbraw/zinc/34/97/69/1382349769.db2.gz NJHRDVUPFYVXGH-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001161230707 1382349931 /nfs/dbraw/zinc/34/99/31/1382349931.db2.gz HFVDVDSBSIHJRH-QWUACUGRSA-N 2 1 335.536 3.211 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001161244720 1382353335 /nfs/dbraw/zinc/35/33/35/1382353335.db2.gz BTFTVKGSJZZDBI-CQSZACIVSA-N 2 1 339.911 3.227 20 0 EGADMP CC[NH+](CC)CC(=O)NCCC1=CC[N@@H+](CCC2CCCC2)CC1 ZINC001161505028 1382425428 /nfs/dbraw/zinc/42/54/28/1382425428.db2.gz YYYDIPGRAAGRQT-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CCC/C=C\CC[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001161518641 1382428784 /nfs/dbraw/zinc/42/87/84/1382428784.db2.gz KYDCXEIITXLBFZ-FPLPWBNLSA-N 2 1 337.552 3.482 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC001161644924 1382468122 /nfs/dbraw/zinc/46/81/22/1382468122.db2.gz VGEFNONLXPQPLQ-LPHOPBHVSA-N 2 1 349.494 3.103 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001161649285 1382470569 /nfs/dbraw/zinc/47/05/69/1382470569.db2.gz AXZIJWJEWZZRBL-LJQANCHMSA-N 2 1 337.552 3.173 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](CCC2CCCC2)CC1 ZINC001161650565 1382471378 /nfs/dbraw/zinc/47/13/78/1382471378.db2.gz IMPXJBKVKGQKPA-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001161650565 1382471381 /nfs/dbraw/zinc/47/13/81/1382471381.db2.gz IMPXJBKVKGQKPA-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CCC2CCCC2)CC1 ZINC001161650565 1382471382 /nfs/dbraw/zinc/47/13/82/1382471382.db2.gz IMPXJBKVKGQKPA-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC001294614230 1382479938 /nfs/dbraw/zinc/47/99/38/1382479938.db2.gz KAERTDLMJIRLIU-UYAOXDASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001294614230 1382479941 /nfs/dbraw/zinc/47/99/41/1382479941.db2.gz KAERTDLMJIRLIU-UYAOXDASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001294614230 1382479943 /nfs/dbraw/zinc/47/99/43/1382479943.db2.gz KAERTDLMJIRLIU-UYAOXDASSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@@H+]1CC=C(CCNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001161688995 1382481790 /nfs/dbraw/zinc/48/17/90/1382481790.db2.gz SUCXOVISOZAOAV-OAQYLSRUSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161705505 1382485646 /nfs/dbraw/zinc/48/56/46/1382485646.db2.gz ULVDJBZJQLHKTE-UYAOXDASSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001161705505 1382485648 /nfs/dbraw/zinc/48/56/48/1382485648.db2.gz ULVDJBZJQLHKTE-UYAOXDASSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161705505 1382485650 /nfs/dbraw/zinc/48/56/50/1382485650.db2.gz ULVDJBZJQLHKTE-UYAOXDASSA-N 2 1 349.563 3.149 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)CCC)CC1 ZINC001161750075 1382494643 /nfs/dbraw/zinc/49/46/43/1382494643.db2.gz VOKMLYLIDBYIGK-UHFFFAOYSA-N 2 1 337.552 3.437 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)CC[N@H+](C)CCC)CC1 ZINC001161750075 1382494646 /nfs/dbraw/zinc/49/46/46/1382494646.db2.gz VOKMLYLIDBYIGK-UHFFFAOYSA-N 2 1 337.552 3.437 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001161750075 1382494649 /nfs/dbraw/zinc/49/46/49/1382494649.db2.gz VOKMLYLIDBYIGK-UHFFFAOYSA-N 2 1 337.552 3.437 20 0 EGADMP [NH3+]C1CC[NH+](CCNc2cc(-c3ccccc3)cc(Cl)n2)CC1 ZINC001161867440 1382534793 /nfs/dbraw/zinc/53/47/93/1382534793.db2.gz HOZLYZMKRALOHK-UHFFFAOYSA-N 2 1 330.863 3.237 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCC1=CC[N@H+](C[C@H](C)CC(C)C)CC1 ZINC001161870189 1382535041 /nfs/dbraw/zinc/53/50/41/1382535041.db2.gz WJOOULIFSSVIIG-QGZVFWFLSA-N 2 1 346.519 3.012 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCC1=CC[N@@H+](C[C@H](C)CC(C)C)CC1 ZINC001161870189 1382535043 /nfs/dbraw/zinc/53/50/43/1382535043.db2.gz WJOOULIFSSVIIG-QGZVFWFLSA-N 2 1 346.519 3.012 20 0 EGADMP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161870240 1382535133 /nfs/dbraw/zinc/53/51/33/1382535133.db2.gz XQVIFMBYALKLBH-AATRIKPKSA-N 2 1 344.503 3.076 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161870240 1382535136 /nfs/dbraw/zinc/53/51/36/1382535136.db2.gz XQVIFMBYALKLBH-AATRIKPKSA-N 2 1 344.503 3.076 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CCC(C)C)CC1 ZINC001161953604 1382568497 /nfs/dbraw/zinc/56/84/97/1382568497.db2.gz XFQXTROVZLWTAC-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](CCC(C)C)CC1 ZINC001161953604 1382568501 /nfs/dbraw/zinc/56/85/01/1382568501.db2.gz XFQXTROVZLWTAC-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CCC(C)C)CC1 ZINC001161953604 1382568503 /nfs/dbraw/zinc/56/85/03/1382568503.db2.gz XFQXTROVZLWTAC-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(NCCC[NH2+]CCCC[NH3+])nc1 ZINC001162294655 1382723746 /nfs/dbraw/zinc/72/37/46/1382723746.db2.gz QQNFYMOECSWMTF-IBGZPJMESA-N 3 1 347.551 3.149 20 0 EGADMP CC(C)OC(=O)[C@H](C)Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001163402629 1383043512 /nfs/dbraw/zinc/04/35/12/1383043512.db2.gz WQGIIPJERCFBEF-GOEBONIOSA-N 2 1 344.459 3.103 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001164456376 1383188718 /nfs/dbraw/zinc/18/87/18/1383188718.db2.gz QQMGQDIONIJQSH-QUCCMNQESA-N 2 1 345.531 3.274 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4[nH+]ccc5c4CCN5)[C@H]3C2)cc1 ZINC001164487475 1383192186 /nfs/dbraw/zinc/19/21/86/1383192186.db2.gz VJZKLTFEGVNUJX-QRFRQXIXSA-N 2 1 334.467 3.372 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]CCC2CCCCCC2)CC[N@H+]1C ZINC001164574441 1383200407 /nfs/dbraw/zinc/20/04/07/1383200407.db2.gz MAKBEIYVFMCABT-HKUYNNGSSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CC3CCCCCC3)CC2)CC[N@H+]1C ZINC001164582302 1383202250 /nfs/dbraw/zinc/20/22/50/1383202250.db2.gz GTXXUSOAOHGGKP-IEBWSBKVSA-N 2 1 349.563 3.173 20 0 EGADMP C[N@H+]1CCC[C@H](CCNc2nc3cc(Br)ccc3[nH]2)C1 ZINC001165279575 1383264766 /nfs/dbraw/zinc/26/47/66/1383264766.db2.gz WEYRQTOEZGAWHB-LLVKDONJSA-N 2 1 337.265 3.469 20 0 EGADMP C[N@@H+]1CCC[C@H](CCNc2nc3ccc(Br)cc3[nH]2)C1 ZINC001165279575 1383264769 /nfs/dbraw/zinc/26/47/69/1383264769.db2.gz WEYRQTOEZGAWHB-LLVKDONJSA-N 2 1 337.265 3.469 20 0 EGADMP C[N@H+]1CCC[C@H](CCNc2nc3ccc(Br)cc3[nH]2)C1 ZINC001165279575 1383264772 /nfs/dbraw/zinc/26/47/72/1383264772.db2.gz WEYRQTOEZGAWHB-LLVKDONJSA-N 2 1 337.265 3.469 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCC(C)C)CC1 ZINC001165334662 1383276166 /nfs/dbraw/zinc/27/61/66/1383276166.db2.gz ZNCIHNLXHNAYMY-SFHVURJKSA-N 2 1 337.552 3.173 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165473275 1383300319 /nfs/dbraw/zinc/30/03/19/1383300319.db2.gz ZGGPQGJJYGNUEE-SFFCAUCYSA-N 2 1 349.563 3.482 20 0 EGADMP O=C(NCCC1(C[NH2+]CCC2CC2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001165485515 1383301375 /nfs/dbraw/zinc/30/13/75/1383301375.db2.gz YGXYPMVSNHABIN-IBGZPJMESA-N 2 1 347.547 3.070 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001165736034 1383335178 /nfs/dbraw/zinc/33/51/78/1383335178.db2.gz GTJIHHFOIYNEMV-RBUKOAKNSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165926748 1383365990 /nfs/dbraw/zinc/36/59/90/1383365990.db2.gz BOZRYVBXTXSUAI-SFHVURJKSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001167475417 1383644778 /nfs/dbraw/zinc/64/47/78/1383644778.db2.gz DJMBZWANANGNSI-HNNXBMFYSA-N 2 1 346.450 3.003 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CC2CCC(C)CC2)CC1 ZINC001167815391 1383746941 /nfs/dbraw/zinc/74/69/41/1383746941.db2.gz SSNLNIBMLMYZKW-UHFFFAOYSA-N 2 1 337.552 3.031 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001167823755 1383749624 /nfs/dbraw/zinc/74/96/24/1383749624.db2.gz MEFZXATUOVOWKN-HLAWJBBLSA-N 2 1 344.547 3.241 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001167825383 1383750253 /nfs/dbraw/zinc/75/02/53/1383750253.db2.gz JZASJEVNVTXCBH-OTWHNJEPSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001167835585 1383754287 /nfs/dbraw/zinc/75/42/87/1383754287.db2.gz ITIFEPRIVCYTMY-MRXNPFEDSA-N 2 1 349.494 3.105 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](Oc2nccc(C)n2)C1 ZINC001167836426 1383754771 /nfs/dbraw/zinc/75/47/71/1383754771.db2.gz ZWIUWMXPCZSJHF-ZWKOTPCHSA-N 2 1 334.508 3.139 20 0 EGADMP OC[C@H](Cc1ccc(Cl)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965903 1383781262 /nfs/dbraw/zinc/78/12/62/1383781262.db2.gz PTMXGTJHZMDIRC-SEBOWIOWSA-N 2 1 348.918 3.238 20 0 EGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(N1CCC([NH+]3CCCCC3)CC1)C2 ZINC001167981897 1383786288 /nfs/dbraw/zinc/78/62/88/1383786288.db2.gz OQKITKSHJCBTLZ-WCRBZPEASA-N 2 1 331.548 3.342 20 0 EGADMP COC(=O)CC[N@@H+](C1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995658 1383791358 /nfs/dbraw/zinc/79/13/58/1383791358.db2.gz NDDNNCXIEJULHT-DFNIBXOVSA-N 2 1 334.504 3.200 20 0 EGADMP COC(=O)CC[NH+](C1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995658 1383791361 /nfs/dbraw/zinc/79/13/61/1383791361.db2.gz NDDNNCXIEJULHT-DFNIBXOVSA-N 2 1 334.504 3.200 20 0 EGADMP COC(=O)CC[NH+](C1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995658 1383791371 /nfs/dbraw/zinc/79/13/71/1383791371.db2.gz NDDNNCXIEJULHT-DFNIBXOVSA-N 2 1 334.504 3.200 20 0 EGADMP CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167995831 1383792247 /nfs/dbraw/zinc/79/22/47/1383792247.db2.gz RIGSZGILZNTIMJ-HRBLRVMOSA-N 2 1 334.504 3.055 20 0 EGADMP CC(C)(C)OC(=O)[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167995831 1383792250 /nfs/dbraw/zinc/79/22/50/1383792250.db2.gz RIGSZGILZNTIMJ-HRBLRVMOSA-N 2 1 334.504 3.055 20 0 EGADMP CC(C)(C)OC(=O)[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995831 1383792253 /nfs/dbraw/zinc/79/22/53/1383792253.db2.gz RIGSZGILZNTIMJ-HRBLRVMOSA-N 2 1 334.504 3.055 20 0 EGADMP CC(C)(C)C(=O)NC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168002795 1383792564 /nfs/dbraw/zinc/79/25/64/1383792564.db2.gz YICLZOWOUFMOMM-DFNIBXOVSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCN2CCCCO2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009284 1383795718 /nfs/dbraw/zinc/79/57/18/1383795718.db2.gz ZTJCVNVGBHJWAA-OPVJXMOQSA-N 2 1 331.504 3.045 20 0 EGADMP C[C@@H]1CC([NH2+]C[C@H](O)c2ccccn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168018781 1383798556 /nfs/dbraw/zinc/79/85/56/1383798556.db2.gz DLSKBLBWFLHOLR-LZJOCLMNSA-N 2 1 339.483 3.146 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C2CC[NH+](C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040225 1383803324 /nfs/dbraw/zinc/80/33/24/1383803324.db2.gz LIPZYIVMWUNGBY-RMFSNUHRSA-N 2 1 329.532 3.454 20 0 EGADMP C[C@H]1CC([N@H+]2C[C@@H]3CCN(C)[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065506 1383808565 /nfs/dbraw/zinc/80/85/65/1383808565.db2.gz XBIHDERHJMHLTD-MEZWHVQBSA-N 2 1 327.516 3.064 20 0 EGADMP FC1(CNc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)CCOCC1 ZINC001168124035 1383822947 /nfs/dbraw/zinc/82/29/47/1383822947.db2.gz NOVLEDSOJLLRRT-INIZCTEOSA-N 2 1 346.450 3.282 20 0 EGADMP CCC/C=C\CC[NH2+]CC1(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168290901 1383865082 /nfs/dbraw/zinc/86/50/82/1383865082.db2.gz NNJITCQOSLLCLJ-ARHOITHKSA-N 2 1 349.563 3.482 20 0 EGADMP COc1ccccc1O[C@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168323266 1383872518 /nfs/dbraw/zinc/87/25/18/1383872518.db2.gz XABUWBWVXNVHMO-ABHNRTSZSA-N 2 1 332.488 3.411 20 0 EGADMP CC[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC([NH+](C)C)CC1 ZINC001168327872 1383874440 /nfs/dbraw/zinc/87/44/40/1383874440.db2.gz RSJPHNIOICPTAX-JCYILVPMSA-N 2 1 339.524 3.191 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001168331087 1383875041 /nfs/dbraw/zinc/87/50/41/1383875041.db2.gz YREKCYZQSHXWME-HDYDNRTBSA-N 2 1 344.499 3.315 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CCCC(C)C)CC1 ZINC001168335670 1383876325 /nfs/dbraw/zinc/87/63/25/1383876325.db2.gz PAPLBQKYBHLGLT-SFHVURJKSA-N 2 1 337.552 3.173 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCN(C4CC[NH+](CC5CC5)CC4)[C@@H]3C2)cc1 ZINC001168394802 1383894651 /nfs/dbraw/zinc/89/46/51/1383894651.db2.gz HQBJPJAHTYYDDS-RBBKRZOGSA-N 2 1 339.527 3.067 20 0 EGADMP c1ccc(CN2C[C@@H]3CC[N@@H+](C4CC[NH+](CC5CC5)CC4)[C@@H]3C2)cc1 ZINC001168394802 1383894654 /nfs/dbraw/zinc/89/46/54/1383894654.db2.gz HQBJPJAHTYYDDS-RBBKRZOGSA-N 2 1 339.527 3.067 20 0 EGADMP c1ccc(CN2C[C@@H]3CC[N@H+](C4CC[NH+](CC5CC5)CC4)[C@@H]3C2)cc1 ZINC001168394802 1383894660 /nfs/dbraw/zinc/89/46/60/1383894660.db2.gz HQBJPJAHTYYDDS-RBBKRZOGSA-N 2 1 339.527 3.067 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CCN([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168442951 1383906632 /nfs/dbraw/zinc/90/66/32/1383906632.db2.gz XYFUGHQPGRTJJT-SFTDATJTSA-N 2 1 346.490 3.258 20 0 EGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168442951 1383906634 /nfs/dbraw/zinc/90/66/34/1383906634.db2.gz XYFUGHQPGRTJJT-SFTDATJTSA-N 2 1 346.490 3.258 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168442951 1383906636 /nfs/dbraw/zinc/90/66/36/1383906636.db2.gz XYFUGHQPGRTJJT-SFTDATJTSA-N 2 1 346.490 3.258 20 0 EGADMP FC(F)(F)[C@@H](Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1)c1ccccn1 ZINC001168481009 1383918002 /nfs/dbraw/zinc/91/80/02/1383918002.db2.gz UCBJDBNZPVNZDD-INIZCTEOSA-N 2 1 347.344 3.132 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccccc1C ZINC001168594837 1383944267 /nfs/dbraw/zinc/94/42/67/1383944267.db2.gz BEPMKEIUERNWMZ-UHFFFAOYSA-N 2 1 333.520 3.103 20 0 EGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCO[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001168662982 1383962472 /nfs/dbraw/zinc/96/24/72/1383962472.db2.gz QVDXVFSXQDMSGT-UYAOXDASSA-N 2 1 332.488 3.331 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001168662982 1383962476 /nfs/dbraw/zinc/96/24/76/1383962476.db2.gz QVDXVFSXQDMSGT-UYAOXDASSA-N 2 1 332.488 3.331 20 0 EGADMP COc1ccc([C@@H]2C[C@H](n3c[nH+]cc3C3CC[NH2+]CC3)CCO2)cc1 ZINC001168665425 1383963769 /nfs/dbraw/zinc/96/37/69/1383963769.db2.gz QMHICKUZMDNRGT-XLIONFOSSA-N 2 1 341.455 3.452 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](CCC[NH3+])C2CCCCC2)CN1C(=O)OC(C)(C)C ZINC001168805401 1384012553 /nfs/dbraw/zinc/01/25/53/1384012553.db2.gz HBZKPAYETVSZBC-WBVHZDCISA-N 2 1 339.524 3.368 20 0 EGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168806271 1384013400 /nfs/dbraw/zinc/01/34/00/1384013400.db2.gz KTIOMMOYOULHJH-JKSUJKDBSA-N 2 1 327.513 3.096 20 0 EGADMP Cc1ccccc1CC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001307794931 1384033528 /nfs/dbraw/zinc/03/35/28/1384033528.db2.gz SLHPCBOUBDKILM-JOCHJYFZSA-N 2 1 338.495 3.106 20 0 EGADMP Cc1ccccc1CC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001307794931 1384033531 /nfs/dbraw/zinc/03/35/31/1384033531.db2.gz SLHPCBOUBDKILM-JOCHJYFZSA-N 2 1 338.495 3.106 20 0 EGADMP Cc1ccccc1CC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001307794931 1384033534 /nfs/dbraw/zinc/03/35/34/1384033534.db2.gz SLHPCBOUBDKILM-JOCHJYFZSA-N 2 1 338.495 3.106 20 0 EGADMP Cc1ccccc1CC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001307794931 1384033537 /nfs/dbraw/zinc/03/35/37/1384033537.db2.gz SLHPCBOUBDKILM-JOCHJYFZSA-N 2 1 338.495 3.106 20 0 EGADMP CCO[C@H]1CC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001308129721 1384098315 /nfs/dbraw/zinc/09/83/15/1384098315.db2.gz UOQANIKOYJGSPG-NRFANRHFSA-N 2 1 330.516 3.442 20 0 EGADMP COc1ccc2c(c1)c(C[C@@H](C)[NH3+])cn2[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091741 1384105167 /nfs/dbraw/zinc/10/51/67/1384105167.db2.gz USUMMJDDLPIJPJ-SIXLDLHFSA-N 2 1 327.472 3.337 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)C2 ZINC001169100116 1384107336 /nfs/dbraw/zinc/10/73/36/1384107336.db2.gz GOERJAHMKBRGNU-QKDCVEJESA-N 2 1 328.378 3.343 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(Cc3cccc(F)c3)CCOCC1)C2 ZINC001169120185 1384109699 /nfs/dbraw/zinc/10/96/99/1384109699.db2.gz ZFFBJHLGZGWBHP-LDLYASANSA-N 2 1 332.463 3.132 20 0 EGADMP C[NH+](C)C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169125233 1384110148 /nfs/dbraw/zinc/11/01/48/1384110148.db2.gz WTIHCIAAVIWWQB-RROAVTMRSA-N 2 1 345.575 3.348 20 0 EGADMP CN(C)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169125233 1384110150 /nfs/dbraw/zinc/11/01/50/1384110150.db2.gz WTIHCIAAVIWWQB-RROAVTMRSA-N 2 1 345.575 3.348 20 0 EGADMP CN(C)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169125233 1384110152 /nfs/dbraw/zinc/11/01/52/1384110152.db2.gz WTIHCIAAVIWWQB-RROAVTMRSA-N 2 1 345.575 3.348 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@]13CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169130359 1384110956 /nfs/dbraw/zinc/11/09/56/1384110956.db2.gz MWHAHOBDCSHJCO-AXVVYFOYSA-N 2 1 349.519 3.087 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@]13CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169130359 1384110957 /nfs/dbraw/zinc/11/09/57/1384110957.db2.gz MWHAHOBDCSHJCO-AXVVYFOYSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@]13CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169130359 1384110958 /nfs/dbraw/zinc/11/09/58/1384110958.db2.gz MWHAHOBDCSHJCO-AXVVYFOYSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@]13CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169130359 1384110959 /nfs/dbraw/zinc/11/09/59/1384110959.db2.gz MWHAHOBDCSHJCO-AXVVYFOYSA-N 2 1 349.519 3.087 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001169131803 1384111246 /nfs/dbraw/zinc/11/12/46/1384111246.db2.gz ZOUUMCKENKCPBA-FVQHAEBGSA-N 2 1 349.519 3.087 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC001308230851 1384111387 /nfs/dbraw/zinc/11/13/87/1384111387.db2.gz BYOZCRISJKHTQP-CQSZACIVSA-N 2 1 338.879 3.323 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC001308230851 1384111389 /nfs/dbraw/zinc/11/13/89/1384111389.db2.gz BYOZCRISJKHTQP-CQSZACIVSA-N 2 1 338.879 3.323 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145565 1384114526 /nfs/dbraw/zinc/11/45/26/1384114526.db2.gz MZOHVQKTWCNSRD-CIAFKFPVSA-N 2 1 339.527 3.210 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C1)C2 ZINC001169145565 1384114528 /nfs/dbraw/zinc/11/45/28/1384114528.db2.gz MZOHVQKTWCNSRD-CIAFKFPVSA-N 2 1 339.527 3.210 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C1)C2 ZINC001169145565 1384114530 /nfs/dbraw/zinc/11/45/30/1384114530.db2.gz MZOHVQKTWCNSRD-CIAFKFPVSA-N 2 1 339.527 3.210 20 0 EGADMP COc1ccccc1OC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169147641 1384114882 /nfs/dbraw/zinc/11/48/82/1384114882.db2.gz VKIVJNNTAXAZJA-BJWYYQGGSA-N 2 1 330.472 3.164 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@]3(CCC[NH+]3Cc3ccccc3)C1)C2 ZINC001169156417 1384116851 /nfs/dbraw/zinc/11/68/51/1384116851.db2.gz XQPXHVVKWBOOOB-CLAROIROSA-N 2 1 339.527 3.352 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@]3(CCC[N@@H+]3Cc3ccccc3)C1)C2 ZINC001169156417 1384116853 /nfs/dbraw/zinc/11/68/53/1384116853.db2.gz XQPXHVVKWBOOOB-CLAROIROSA-N 2 1 339.527 3.352 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@]3(CCC[N@H+]3Cc3ccccc3)C1)C2 ZINC001169156417 1384116855 /nfs/dbraw/zinc/11/68/55/1384116855.db2.gz XQPXHVVKWBOOOB-CLAROIROSA-N 2 1 339.527 3.352 20 0 EGADMP Cc1ccc2ncc(C[NH2+][C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)n2c1 ZINC001308368620 1384122390 /nfs/dbraw/zinc/12/23/90/1384122390.db2.gz YRACMMCQHOAQGJ-SJORKVTESA-N 2 1 326.488 3.385 20 0 EGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC001308793856 1384149932 /nfs/dbraw/zinc/14/99/32/1384149932.db2.gz TWUPMTHEAIPBIX-KFWWJZLASA-N 2 1 334.451 3.064 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC001308793856 1384149933 /nfs/dbraw/zinc/14/99/33/1384149933.db2.gz TWUPMTHEAIPBIX-KFWWJZLASA-N 2 1 334.451 3.064 20 0 EGADMP CCc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169810059 1384187903 /nfs/dbraw/zinc/18/79/03/1384187903.db2.gz NYQAFPYQBMGELP-FXAWDEMLSA-N 2 1 345.531 3.108 20 0 EGADMP C[C@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)C1 ZINC001170138897 1384245633 /nfs/dbraw/zinc/24/56/33/1384245633.db2.gz SOBLJEYXLAXJKZ-MYGYKHERSA-N 2 1 342.531 3.247 20 0 EGADMP C[C@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)C1 ZINC001170138897 1384245637 /nfs/dbraw/zinc/24/56/37/1384245637.db2.gz SOBLJEYXLAXJKZ-MYGYKHERSA-N 2 1 342.531 3.247 20 0 EGADMP C[C@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)C1 ZINC001170138897 1384245639 /nfs/dbraw/zinc/24/56/39/1384245639.db2.gz SOBLJEYXLAXJKZ-MYGYKHERSA-N 2 1 342.531 3.247 20 0 EGADMP CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CC[C@@H](C(=O)OC)C2)CC1 ZINC001170552812 1384340887 /nfs/dbraw/zinc/34/08/87/1384340887.db2.gz CVWZISXCOYWWKF-UYAOXDASSA-N 2 1 344.499 3.315 20 0 EGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CC[C@@H](C(=O)OC)C2)CC1 ZINC001170552812 1384340888 /nfs/dbraw/zinc/34/08/88/1384340888.db2.gz CVWZISXCOYWWKF-UYAOXDASSA-N 2 1 344.499 3.315 20 0 EGADMP Cc1ccc([C@H](C)Nc2cc[nH+]c(N3CCC([NH3+])CC3)n2)c(C)c1 ZINC001170723298 1384373937 /nfs/dbraw/zinc/37/39/37/1384373937.db2.gz MWEQFPQOLKPWSO-HNNXBMFYSA-N 2 1 325.460 3.194 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1F ZINC001170784817 1384384423 /nfs/dbraw/zinc/38/44/23/1384384423.db2.gz LKJJBBAIHMERME-IBGZPJMESA-N 2 1 349.494 3.076 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CC(C)(C)C1 ZINC001170784558 1384384749 /nfs/dbraw/zinc/38/47/49/1384384749.db2.gz ICUXYAPVUDRKKG-GOSISDBHSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861332 1384400743 /nfs/dbraw/zinc/40/07/43/1384400743.db2.gz COWFVWACECCFTO-RCCFBDPRSA-N 2 1 339.568 3.418 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC1 ZINC001170879727 1384403835 /nfs/dbraw/zinc/40/38/35/1384403835.db2.gz ZUCSYOZPRXUZTI-HOTGVXAUSA-N 2 1 334.508 3.071 20 0 EGADMP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCc4ccc(Br)cc4C3)C2)C1 ZINC001170886276 1384405559 /nfs/dbraw/zinc/40/55/59/1384405559.db2.gz QIBBUNXUYABIMF-QZTJIDSGSA-N 2 1 349.316 3.334 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCc4ccc(Br)cc4C3)C2)C1 ZINC001170886276 1384405560 /nfs/dbraw/zinc/40/55/60/1384405560.db2.gz QIBBUNXUYABIMF-QZTJIDSGSA-N 2 1 349.316 3.334 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCc4ccc(Br)cc4C3)C2)C1 ZINC001170886276 1384405562 /nfs/dbraw/zinc/40/55/62/1384405562.db2.gz QIBBUNXUYABIMF-QZTJIDSGSA-N 2 1 349.316 3.334 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCc4ccc(Br)cc4C3)C2)C1 ZINC001170886276 1384405564 /nfs/dbraw/zinc/40/55/64/1384405564.db2.gz QIBBUNXUYABIMF-QZTJIDSGSA-N 2 1 349.316 3.334 20 0 EGADMP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001171120987 1384449725 /nfs/dbraw/zinc/44/97/25/1384449725.db2.gz QTTQKAPXVXECSF-HMTUNPETSA-N 2 1 337.552 3.482 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171247779 1384477774 /nfs/dbraw/zinc/47/77/74/1384477774.db2.gz OEZMJHCZABOETN-IRXDYDNUSA-N 2 1 348.535 3.461 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCF)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171248058 1384477987 /nfs/dbraw/zinc/47/79/87/1384477987.db2.gz QIOKEDFLSDTTHF-FUHWJXTLSA-N 2 1 341.515 3.018 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001316616423 1384483621 /nfs/dbraw/zinc/48/36/21/1384483621.db2.gz MUOBSCNYMFZWJQ-JENIJYKNSA-N 2 1 343.515 3.025 20 0 EGADMP Fc1cc(F)c2c(c1)C[C@@H]([NH+]1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001171361349 1384502658 /nfs/dbraw/zinc/50/26/58/1384502658.db2.gz WXXLLBDDSHSQDV-KRWDZBQOSA-N 2 1 329.394 3.039 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001171537423 1384555752 /nfs/dbraw/zinc/55/57/52/1384555752.db2.gz CEUCDYQAJYIZNZ-QUCCMNQESA-N 2 1 345.531 3.244 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171541680 1384557041 /nfs/dbraw/zinc/55/70/41/1384557041.db2.gz KNBQFTABDPRSQJ-CQSZACIVSA-N 2 1 326.406 3.379 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4cc(F)c(F)c(F)c4C3)C[C@@H]2C1 ZINC001171546201 1384558957 /nfs/dbraw/zinc/55/89/57/1384558957.db2.gz HAXRBERYHRWLDF-QLFBSQMISA-N 2 1 338.417 3.235 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4cc(F)c(F)c(F)c4C3)C[C@@H]2C1 ZINC001171546201 1384558962 /nfs/dbraw/zinc/55/89/62/1384558962.db2.gz HAXRBERYHRWLDF-QLFBSQMISA-N 2 1 338.417 3.235 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4cc(F)c(F)c(F)c4C3)C[C@@H]2C1 ZINC001171546201 1384558963 /nfs/dbraw/zinc/55/89/63/1384558963.db2.gz HAXRBERYHRWLDF-QLFBSQMISA-N 2 1 338.417 3.235 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171631392 1384586263 /nfs/dbraw/zinc/58/62/63/1384586263.db2.gz HYOKBTVZNWOIFQ-AWEZNQCLSA-N 2 1 339.524 3.237 20 0 EGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001171646289 1384591225 /nfs/dbraw/zinc/59/12/25/1384591225.db2.gz LDFWKAPWVXMVMB-MSOLQXFVSA-N 2 1 325.541 3.172 20 0 EGADMP Cc1ccc(CC[C@H](C)[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1 ZINC001171673004 1384597304 /nfs/dbraw/zinc/59/73/04/1384597304.db2.gz VLDAQDKHEDJWGZ-KRWDZBQOSA-N 2 1 329.488 3.446 20 0 EGADMP C[C@H]1C[C@H](n2c3ccccc3nc2CC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171724930 1384613879 /nfs/dbraw/zinc/61/38/79/1384613879.db2.gz FHRLQGFVTOWNKW-WMZOPIPTSA-N 2 1 334.467 3.373 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1cccc2ccccc21 ZINC001171725043 1384614384 /nfs/dbraw/zinc/61/43/84/1384614384.db2.gz FISWYWBFVNLIKF-UHFFFAOYSA-N 2 1 341.499 3.168 20 0 EGADMP C[C@H]1C[C@H](N2CC[NH+](C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171755014 1384625561 /nfs/dbraw/zinc/62/55/61/1384625561.db2.gz LCGGDRWKCNWTQW-RXVVDRJESA-N 2 1 327.516 3.210 20 0 EGADMP C[C@@H]1C[C@H](N2CC[NH+](C)CC23CCCC3)C[N@H+]1Cc1ccccc1 ZINC001171767545 1384630030 /nfs/dbraw/zinc/63/00/30/1384630030.db2.gz PAUDEAYFKGRAQD-QUCCMNQESA-N 2 1 327.516 3.210 20 0 EGADMP C[C@@H]1C[C@H](N2CC[N@H+](C)CC23CCCC3)C[NH+]1Cc1ccccc1 ZINC001171767545 1384630035 /nfs/dbraw/zinc/63/00/35/1384630035.db2.gz PAUDEAYFKGRAQD-QUCCMNQESA-N 2 1 327.516 3.210 20 0 EGADMP C[C@@H]1C[C@H](N2CC[N@@H+](C)CC23CCCC3)C[NH+]1Cc1ccccc1 ZINC001171767545 1384630038 /nfs/dbraw/zinc/63/00/38/1384630038.db2.gz PAUDEAYFKGRAQD-QUCCMNQESA-N 2 1 327.516 3.210 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001171788199 1384637479 /nfs/dbraw/zinc/63/74/79/1384637479.db2.gz YXVNBNWNXHYCHU-KRWDZBQOSA-N 2 1 341.499 3.339 20 0 EGADMP C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969203 1384698716 /nfs/dbraw/zinc/69/87/16/1384698716.db2.gz UJMIUHPKWRTCRR-WOJBJXKFSA-N 2 1 329.532 3.361 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969203 1384698718 /nfs/dbraw/zinc/69/87/18/1384698718.db2.gz UJMIUHPKWRTCRR-WOJBJXKFSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969203 1384698720 /nfs/dbraw/zinc/69/87/20/1384698720.db2.gz UJMIUHPKWRTCRR-WOJBJXKFSA-N 3 1 329.532 3.361 20 0 EGADMP CN(C)C(=O)C1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC001171980209 1384702153 /nfs/dbraw/zinc/70/21/53/1384702153.db2.gz SXNJHOOMVRSUBX-GOSISDBHSA-N 2 1 343.515 3.030 20 0 EGADMP CN(C)C(=O)C1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC001171980209 1384702155 /nfs/dbraw/zinc/70/21/55/1384702155.db2.gz SXNJHOOMVRSUBX-GOSISDBHSA-N 2 1 343.515 3.030 20 0 EGADMP CN1CC2(C1)CC[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987134 1384705871 /nfs/dbraw/zinc/70/58/71/1384705871.db2.gz PFOFVFWQEXUHKG-LJQANCHMSA-N 2 1 327.516 3.067 20 0 EGADMP CN1CC2(C1)CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987134 1384705873 /nfs/dbraw/zinc/70/58/73/1384705873.db2.gz PFOFVFWQEXUHKG-LJQANCHMSA-N 2 1 327.516 3.067 20 0 EGADMP CN1CC2(C1)CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987134 1384705876 /nfs/dbraw/zinc/70/58/76/1384705876.db2.gz PFOFVFWQEXUHKG-LJQANCHMSA-N 2 1 327.516 3.067 20 0 EGADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989241 1384705889 /nfs/dbraw/zinc/70/58/89/1384705889.db2.gz BEBHWMXGXRAHPJ-UFYCRDLUSA-N 2 1 327.516 3.208 20 0 EGADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989241 1384705891 /nfs/dbraw/zinc/70/58/91/1384705891.db2.gz BEBHWMXGXRAHPJ-UFYCRDLUSA-N 2 1 327.516 3.208 20 0 EGADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989241 1384705893 /nfs/dbraw/zinc/70/58/93/1384705893.db2.gz BEBHWMXGXRAHPJ-UFYCRDLUSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@@H]1CN([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)[N@@H+]1C ZINC001171988121 1384706138 /nfs/dbraw/zinc/70/61/38/1384706138.db2.gz OTEMUSSCSQEGHO-WSTZPKSXSA-N 2 1 329.532 3.454 20 0 EGADMP C[C@@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)[NH+]1C ZINC001171988121 1384706140 /nfs/dbraw/zinc/70/61/40/1384706140.db2.gz OTEMUSSCSQEGHO-WSTZPKSXSA-N 2 1 329.532 3.454 20 0 EGADMP C[C@@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)[NH+]1C ZINC001171988121 1384706142 /nfs/dbraw/zinc/70/61/42/1384706142.db2.gz OTEMUSSCSQEGHO-WSTZPKSXSA-N 2 1 329.532 3.454 20 0 EGADMP CCOC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989121 1384706163 /nfs/dbraw/zinc/70/61/63/1384706163.db2.gz YGDKIEKWQBDSBA-GOSISDBHSA-N 2 1 332.488 3.315 20 0 EGADMP CCOC(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989121 1384706167 /nfs/dbraw/zinc/70/61/67/1384706167.db2.gz YGDKIEKWQBDSBA-GOSISDBHSA-N 2 1 332.488 3.315 20 0 EGADMP CCOC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989121 1384706169 /nfs/dbraw/zinc/70/61/69/1384706169.db2.gz YGDKIEKWQBDSBA-GOSISDBHSA-N 2 1 332.488 3.315 20 0 EGADMP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1O ZINC001172067129 1384716651 /nfs/dbraw/zinc/71/66/51/1384716651.db2.gz AWZYAOOKVJXIMC-TZMRYXNNSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1O ZINC001172067129 1384716654 /nfs/dbraw/zinc/71/66/54/1384716654.db2.gz AWZYAOOKVJXIMC-TZMRYXNNSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1O ZINC001172067129 1384716656 /nfs/dbraw/zinc/71/66/56/1384716656.db2.gz AWZYAOOKVJXIMC-TZMRYXNNSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1O ZINC001172067129 1384716658 /nfs/dbraw/zinc/71/66/58/1384716658.db2.gz AWZYAOOKVJXIMC-TZMRYXNNSA-N 2 1 328.500 3.275 20 0 EGADMP CN([C@H]1CC[N@@H+](C)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074545 1384720436 /nfs/dbraw/zinc/72/04/36/1384720436.db2.gz JEIPQTZRCGRNPM-JSXRDJHFSA-N 2 1 327.516 3.208 20 0 EGADMP CN([C@H]1CC[NH+](C)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074545 1384720438 /nfs/dbraw/zinc/72/04/38/1384720438.db2.gz JEIPQTZRCGRNPM-JSXRDJHFSA-N 2 1 327.516 3.208 20 0 EGADMP CN([C@H]1CC[NH+](C)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074545 1384720441 /nfs/dbraw/zinc/72/04/41/1384720441.db2.gz JEIPQTZRCGRNPM-JSXRDJHFSA-N 2 1 327.516 3.208 20 0 EGADMP OC[C@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172078991 1384721817 /nfs/dbraw/zinc/72/18/17/1384721817.db2.gz KPHAOTCWHXKEFT-PLACYPQZSA-N 2 1 328.500 3.419 20 0 EGADMP OC[C@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172078991 1384721820 /nfs/dbraw/zinc/72/18/20/1384721820.db2.gz KPHAOTCWHXKEFT-PLACYPQZSA-N 2 1 328.500 3.419 20 0 EGADMP OC[C@H]1CCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172078991 1384721821 /nfs/dbraw/zinc/72/18/21/1384721821.db2.gz KPHAOTCWHXKEFT-PLACYPQZSA-N 2 1 328.500 3.419 20 0 EGADMP OC[C@H]1CCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172078991 1384721823 /nfs/dbraw/zinc/72/18/23/1384721823.db2.gz KPHAOTCWHXKEFT-PLACYPQZSA-N 2 1 328.500 3.419 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC001335806665 1388939875 /nfs/dbraw/zinc/93/98/75/1388939875.db2.gz NVJYPEOPHJBRQP-CTWPCTMYSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2c(C)cc(C)cc2C)C1 ZINC001316957625 1384728399 /nfs/dbraw/zinc/72/83/99/1384728399.db2.gz ZYYHFFKYGIHREP-IBGZPJMESA-N 2 1 345.531 3.034 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2c(C)cc(C)cc2C)C1 ZINC001316957625 1384728404 /nfs/dbraw/zinc/72/84/04/1384728404.db2.gz ZYYHFFKYGIHREP-IBGZPJMESA-N 2 1 345.531 3.034 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2c(C)cc(C)cc2C)C1 ZINC001316957625 1384728406 /nfs/dbraw/zinc/72/84/06/1384728406.db2.gz ZYYHFFKYGIHREP-IBGZPJMESA-N 2 1 345.531 3.034 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H]3[C@@H]1CCN3C(=O)OC(C)(C)C)C2 ZINC001172117521 1384732383 /nfs/dbraw/zinc/73/23/83/1384732383.db2.gz HLIIAQNITWTFNV-ADHGMGHFSA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H]3[C@@H]1CCN3C(=O)OC(C)(C)C)C2 ZINC001172117521 1384732386 /nfs/dbraw/zinc/73/23/86/1384732386.db2.gz HLIIAQNITWTFNV-ADHGMGHFSA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H]3[C@@H]1CCN3C(=O)OC(C)(C)C)C2 ZINC001172117521 1384732389 /nfs/dbraw/zinc/73/23/89/1384732389.db2.gz HLIIAQNITWTFNV-ADHGMGHFSA-N 2 1 349.519 3.085 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1N3C(=O)OC(C)(C)C)C2 ZINC001172117774 1384733347 /nfs/dbraw/zinc/73/33/47/1384733347.db2.gz NCLXLGBGVIIHOD-KHHDSSOXSA-N 2 1 349.519 3.132 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1N3C(=O)OC(C)(C)C)C2 ZINC001172117774 1384733352 /nfs/dbraw/zinc/73/33/52/1384733352.db2.gz NCLXLGBGVIIHOD-KHHDSSOXSA-N 2 1 349.519 3.132 20 0 EGADMP COc1ccccc1O[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121751 1384734968 /nfs/dbraw/zinc/73/49/68/1384734968.db2.gz LXBUEWHJIQDWHR-XMTFNYHQSA-N 2 1 330.472 3.164 20 0 EGADMP COc1ccccc1O[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172121751 1384734969 /nfs/dbraw/zinc/73/49/69/1384734969.db2.gz LXBUEWHJIQDWHR-XMTFNYHQSA-N 2 1 330.472 3.164 20 0 EGADMP COc1ccccc1O[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121751 1384734971 /nfs/dbraw/zinc/73/49/71/1384734971.db2.gz LXBUEWHJIQDWHR-XMTFNYHQSA-N 2 1 330.472 3.164 20 0 EGADMP COCCCN1CCC([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172249245 1384755564 /nfs/dbraw/zinc/75/55/64/1384755564.db2.gz ZMQACNSTQGRSMG-IYARVYRRSA-N 2 1 339.568 3.105 20 0 EGADMP COCCC[NH+]1CCC([N@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172249245 1384755572 /nfs/dbraw/zinc/75/55/72/1384755572.db2.gz ZMQACNSTQGRSMG-IYARVYRRSA-N 3 1 339.568 3.105 20 0 EGADMP COCCC[NH+]1CCC([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172249245 1384755577 /nfs/dbraw/zinc/75/55/77/1384755577.db2.gz ZMQACNSTQGRSMG-IYARVYRRSA-N 3 1 339.568 3.105 20 0 EGADMP COCCC[NH+]1CCC([NH+]2CCC(c3cccc(OC)c3)CC2)CC1 ZINC001172253983 1384756454 /nfs/dbraw/zinc/75/64/54/1384756454.db2.gz FPUMUYJLEPRTGR-UHFFFAOYSA-N 2 1 346.515 3.376 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccc(OC)cc2)CC1 ZINC001172255424 1384757015 /nfs/dbraw/zinc/75/70/15/1384757015.db2.gz QPBDRQNFHDFIJI-FQEVSTJZSA-N 2 1 332.488 3.333 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccc(OC)cc2)CC1 ZINC001172255424 1384757018 /nfs/dbraw/zinc/75/70/18/1384757018.db2.gz QPBDRQNFHDFIJI-FQEVSTJZSA-N 2 1 332.488 3.333 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H](Oc3ccccc3C)C2)CC1 ZINC001172255316 1384757099 /nfs/dbraw/zinc/75/70/99/1384757099.db2.gz NNRIUAXQUKVVEK-HXUWFJFHSA-N 2 1 346.515 3.339 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H](Oc3ccccc3C)C2)CC1 ZINC001172255316 1384757105 /nfs/dbraw/zinc/75/71/05/1384757105.db2.gz NNRIUAXQUKVVEK-HXUWFJFHSA-N 2 1 346.515 3.339 20 0 EGADMP COCCC[NH+]1CCC([NH+]2CCC(c3cccc(O)c3)CC2)CC1 ZINC001172254738 1384757315 /nfs/dbraw/zinc/75/73/15/1384757315.db2.gz VFSGZEIOWRJVPB-UHFFFAOYSA-N 2 1 332.488 3.073 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3COC(C)(C)C3)C[C@H]21 ZINC001172288752 1384761028 /nfs/dbraw/zinc/76/10/28/1384761028.db2.gz ZDDAAKTXFCCQSO-VBSBHUPXSA-N 2 1 343.515 3.181 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3COC(C)(C)C3)C[C@H]21 ZINC001172288752 1384761031 /nfs/dbraw/zinc/76/10/31/1384761031.db2.gz ZDDAAKTXFCCQSO-VBSBHUPXSA-N 2 1 343.515 3.181 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3COC(C)(C)C3)C[C@H]21 ZINC001172288752 1384761035 /nfs/dbraw/zinc/76/10/35/1384761035.db2.gz ZDDAAKTXFCCQSO-VBSBHUPXSA-N 2 1 343.515 3.181 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3COC(C)(C)C3)C[C@H]21 ZINC001172288752 1384761041 /nfs/dbraw/zinc/76/10/41/1384761041.db2.gz ZDDAAKTXFCCQSO-VBSBHUPXSA-N 2 1 343.515 3.181 20 0 EGADMP CC[C@@H](C)OCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172336298 1384773353 /nfs/dbraw/zinc/77/33/53/1384773353.db2.gz MTUWFPWPWVQSSK-ZSXPUABSSA-N 2 1 348.531 3.053 20 0 EGADMP CC[C@@H](C)OCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172336298 1384773356 /nfs/dbraw/zinc/77/33/56/1384773356.db2.gz MTUWFPWPWVQSSK-ZSXPUABSSA-N 2 1 348.531 3.053 20 0 EGADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)C[C@@H]1C ZINC001172374923 1384780010 /nfs/dbraw/zinc/78/00/10/1384780010.db2.gz QFBZLEHNQIBLJC-LXDWIVHCSA-N 2 1 334.548 3.491 20 0 EGADMP C[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)C[C@@H]1C ZINC001172374923 1384780013 /nfs/dbraw/zinc/78/00/13/1384780013.db2.gz QFBZLEHNQIBLJC-LXDWIVHCSA-N 2 1 334.548 3.491 20 0 EGADMP C[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)C[C@@H]1C ZINC001172374923 1384780016 /nfs/dbraw/zinc/78/00/16/1384780016.db2.gz QFBZLEHNQIBLJC-LXDWIVHCSA-N 2 1 334.548 3.491 20 0 EGADMP CC(C)COCC[C@H](C)[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172465941 1384798692 /nfs/dbraw/zinc/79/86/92/1384798692.db2.gz JHWZSDXHKNCQKW-PMACEKPBSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)COCC[C@H](C)[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172465941 1384798694 /nfs/dbraw/zinc/79/86/94/1384798694.db2.gz JHWZSDXHKNCQKW-PMACEKPBSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)COCC[C@H](C)[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001172465941 1384798697 /nfs/dbraw/zinc/79/86/97/1384798697.db2.gz JHWZSDXHKNCQKW-PMACEKPBSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)COCC[C@H](C)[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001172465941 1384798700 /nfs/dbraw/zinc/79/87/00/1384798700.db2.gz JHWZSDXHKNCQKW-PMACEKPBSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)COCC[C@H](C)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001172475463 1384801449 /nfs/dbraw/zinc/80/14/49/1384801449.db2.gz JHLMYOUFUYUDAQ-KRWDZBQOSA-N 2 1 326.525 3.013 20 0 EGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001172579098 1384814853 /nfs/dbraw/zinc/81/48/53/1384814853.db2.gz VWWABIVMKDGWAV-RWMBFGLXSA-N 2 1 328.834 3.433 20 0 EGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172579098 1384814856 /nfs/dbraw/zinc/81/48/56/1384814856.db2.gz VWWABIVMKDGWAV-RWMBFGLXSA-N 2 1 328.834 3.433 20 0 EGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172579098 1384814857 /nfs/dbraw/zinc/81/48/57/1384814857.db2.gz VWWABIVMKDGWAV-RWMBFGLXSA-N 2 1 328.834 3.433 20 0 EGADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172602106 1384817003 /nfs/dbraw/zinc/81/70/03/1384817003.db2.gz GNPDGGBYGJUORU-CADBVGFASA-N 2 1 336.520 3.480 20 0 EGADMP CC1(C)CC([N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)CC(C)(C)O1 ZINC001172655643 1384826461 /nfs/dbraw/zinc/82/64/61/1384826461.db2.gz APNZAHIQXIUZDA-HDICACEKSA-N 2 1 343.515 3.181 20 0 EGADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172668453 1384830753 /nfs/dbraw/zinc/83/07/53/1384830753.db2.gz YKSONKNDGYFCOT-VAMGGRTRSA-N 2 1 343.515 3.158 20 0 EGADMP COCCC1([NH3+])CC[NH+]([C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC001172860397 1384866449 /nfs/dbraw/zinc/86/64/49/1384866449.db2.gz DDNPFLAZXGMMLT-ZDUSSCGKSA-N 2 1 328.859 3.240 20 0 EGADMP C[C@H](CSc1ccc(Cl)cc1)[NH+]1CCN(CCCC[NH3+])CC1 ZINC001172874640 1384871161 /nfs/dbraw/zinc/87/11/61/1384871161.db2.gz ZZVWGPCHTKUNMV-OAHLLOKOSA-N 2 1 341.952 3.177 20 0 EGADMP CCCC[N@H+](CC)CC[NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172944681 1384885629 /nfs/dbraw/zinc/88/56/29/1384885629.db2.gz YFVILNGIULNGDU-MRXNPFEDSA-N 2 1 329.529 3.344 20 0 EGADMP CCCC[N@@H+](CC)CC[NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172944681 1384885632 /nfs/dbraw/zinc/88/56/32/1384885632.db2.gz YFVILNGIULNGDU-MRXNPFEDSA-N 2 1 329.529 3.344 20 0 EGADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172952142 1384889027 /nfs/dbraw/zinc/88/90/27/1384889027.db2.gz ZOJRUNVNGQZUPM-WCXIOVBPSA-N 2 1 339.524 3.237 20 0 EGADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172952142 1384889031 /nfs/dbraw/zinc/88/90/31/1384889031.db2.gz ZOJRUNVNGQZUPM-WCXIOVBPSA-N 2 1 339.524 3.237 20 0 EGADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001172965211 1384892055 /nfs/dbraw/zinc/89/20/55/1384892055.db2.gz YZEYRARLXGMLNV-IAGOWNOFSA-N 2 1 341.540 3.473 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001173059334 1384903967 /nfs/dbraw/zinc/90/39/67/1384903967.db2.gz VFZCJGHPFWLOHH-NCOADZHNSA-N 2 1 339.524 3.237 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCCN(C(=O)c3ccco3)CC2)CC1 ZINC001173113694 1384917747 /nfs/dbraw/zinc/91/77/47/1384917747.db2.gz BXALUJRBGPORHV-UHFFFAOYSA-N 2 1 347.503 3.081 20 0 EGADMP CC[NH+](CC)C1CCC([N@@H+](C)[C@@H](Cc2ccccc2)C(=O)OC)CC1 ZINC001173113189 1384917878 /nfs/dbraw/zinc/91/78/78/1384917878.db2.gz KUVVUWTZYPOIAN-MHJFOBGBSA-N 2 1 346.515 3.356 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](Oc3ccncc3C)C2)CC1 ZINC001173113253 1384917951 /nfs/dbraw/zinc/91/79/51/1384917951.db2.gz IRJMZKRFRBGZFQ-ACBHZAAOSA-N 2 1 331.504 3.496 20 0 EGADMP CCCC[C@@H](CC(C)C)[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001173259662 1384946458 /nfs/dbraw/zinc/94/64/58/1384946458.db2.gz JDNNSHUCSOLTMN-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[C@@H](CC(C)C)[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001173259662 1384946459 /nfs/dbraw/zinc/94/64/59/1384946459.db2.gz JDNNSHUCSOLTMN-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CCCC1CCCC1)[NH+](C)C ZINC001317177571 1384950996 /nfs/dbraw/zinc/95/09/96/1384950996.db2.gz IHXZMHPGFCEOSG-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@H+]1CC[C@H](n2cc(CC[NH3+])c3cc(Br)ccc32)C1 ZINC001173352406 1384963903 /nfs/dbraw/zinc/96/39/03/1384963903.db2.gz LBEVLEPIONFUTD-AWEZNQCLSA-N 2 1 336.277 3.172 20 0 EGADMP CCN1CC[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001173365393 1384964822 /nfs/dbraw/zinc/96/48/22/1384964822.db2.gz HDNWEFQSTPGKOD-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP CC[N@@H+]1CC[C@@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001173365393 1384964826 /nfs/dbraw/zinc/96/48/26/1384964826.db2.gz HDNWEFQSTPGKOD-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP CC[N@H+]1CC[C@@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001173365393 1384964830 /nfs/dbraw/zinc/96/48/30/1384964830.db2.gz HDNWEFQSTPGKOD-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP CC(C)C[N@H+](C1CCN(CC(F)(F)F)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173667471 1385000490 /nfs/dbraw/zinc/00/04/90/1385000490.db2.gz YAPNKXQSXNAFLE-SHTZXODSSA-N 2 1 335.458 3.241 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173671769 1385000637 /nfs/dbraw/zinc/00/06/37/1385000637.db2.gz MOGPPJRABWPEIP-UHFFFAOYSA-N 2 1 335.458 3.209 20 0 EGADMP C[C@@H]1CC([NH2+]C[C@H]2CCC[N@@H+](C)C2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173673472 1385000923 /nfs/dbraw/zinc/00/09/23/1385000923.db2.gz MMLMAYUDXURLNU-BZUAXINKSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@@H]1CC([NH2+]CC[C@H]2CCC[N@H+]2C)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173674784 1385000956 /nfs/dbraw/zinc/00/09/56/1385000956.db2.gz FECAMBHRLUNVHB-BFYDXBDKSA-N 2 1 339.524 3.237 20 0 EGADMP COC(=O)c1ccc(C[C@@H](C)[N@H+]2CCCC[C@@H](CCC[NH3+])C2)cc1 ZINC001173719911 1385008577 /nfs/dbraw/zinc/00/85/77/1385008577.db2.gz JJFZGEIISHHJQW-AEFFLSMTSA-N 2 1 332.488 3.245 20 0 EGADMP COc1ccc2[nH+]c(N)n(C3=CCC[N@@H+](Cc4ccccc4)C3)c2c1 ZINC001174393371 1385104906 /nfs/dbraw/zinc/10/49/06/1385104906.db2.gz UUXSSMBTPFCRNP-UHFFFAOYSA-N 2 1 334.423 3.374 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001317382206 1385108404 /nfs/dbraw/zinc/10/84/04/1385108404.db2.gz WCAJWHODFGJDGW-RBUKOAKNSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001317382206 1385108406 /nfs/dbraw/zinc/10/84/06/1385108406.db2.gz WCAJWHODFGJDGW-RBUKOAKNSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC2CC2)C1 ZINC001174882598 1385164575 /nfs/dbraw/zinc/16/45/75/1385164575.db2.gz UPMGDIQVZVJGRI-HKUYNNGSSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC=C(C)C)C1 ZINC001174882882 1385164809 /nfs/dbraw/zinc/16/48/09/1385164809.db2.gz XOPJIEBZRVMDCR-RTBURBONSA-N 2 1 337.552 3.339 20 0 EGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174905150 1385168252 /nfs/dbraw/zinc/16/82/52/1385168252.db2.gz GILCMDBSRCYMRF-BZSNNMDCSA-N 2 1 325.541 3.172 20 0 EGADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C)CC2 ZINC001174929215 1385171372 /nfs/dbraw/zinc/17/13/72/1385171372.db2.gz PBWCZUCPSKECIP-SJLPKXTDSA-N 2 1 348.535 3.065 20 0 EGADMP CC1CC(C[N@H+]2CCC[C@H]2CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317501155 1385202830 /nfs/dbraw/zinc/20/28/30/1385202830.db2.gz KDWXLORUNKDBTE-QLOJAFMTSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CC(C[NH+]2CCC[C@H]2CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317501155 1385202833 /nfs/dbraw/zinc/20/28/33/1385202833.db2.gz KDWXLORUNKDBTE-QLOJAFMTSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CC(C[NH+]2CCC[C@H]2CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317501155 1385202835 /nfs/dbraw/zinc/20/28/35/1385202835.db2.gz KDWXLORUNKDBTE-QLOJAFMTSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175256812 1385230880 /nfs/dbraw/zinc/23/08/80/1385230880.db2.gz PKLCSEORPUNUKC-ZWKOTPCHSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175263677 1385233604 /nfs/dbraw/zinc/23/36/04/1385233604.db2.gz QIJWKUCTTOGYIF-DLBZAZTESA-N 2 1 337.552 3.029 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175263792 1385234359 /nfs/dbraw/zinc/23/43/59/1385234359.db2.gz RINFPEMZFSKPNO-ROUUACIJSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175297269 1385242741 /nfs/dbraw/zinc/24/27/41/1385242741.db2.gz SLJFFTVHURAXOK-QGZVFWFLSA-N 2 1 327.557 3.275 20 0 EGADMP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001175390561 1385272994 /nfs/dbraw/zinc/27/29/94/1385272994.db2.gz ZLLYWGMZYFWZCA-SXLOBPIMSA-N 2 1 345.531 3.006 20 0 EGADMP c1cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)n(-c2cc[nH+]cc2)n1 ZINC001175505805 1385314587 /nfs/dbraw/zinc/31/45/87/1385314587.db2.gz SGHHDDBZYCYFNT-UHFFFAOYSA-N 2 1 331.423 3.469 20 0 EGADMP C[C@@H](C(=O)NCC[N@@H+](CC1CCCCC1)C1CC1)[NH+]1CCCCCC1 ZINC001317558140 1385330632 /nfs/dbraw/zinc/33/06/32/1385330632.db2.gz GERDNKBEFWLESO-SFHVURJKSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001175572753 1385335868 /nfs/dbraw/zinc/33/58/68/1385335868.db2.gz KWSBURPMEOUIEN-ZWKOTPCHSA-N 2 1 325.541 3.170 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+][C@H]1CCc2ccccc21 ZINC001176022667 1385463452 /nfs/dbraw/zinc/46/34/52/1385463452.db2.gz CKBXAGUTGHZATL-PXNSSMCTSA-N 2 1 345.531 3.280 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C)c1 ZINC001176024752 1385463962 /nfs/dbraw/zinc/46/39/62/1385463962.db2.gz ROJJMYDMWGIADC-GOSISDBHSA-N 2 1 333.520 3.101 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC ZINC001176112652 1385487849 /nfs/dbraw/zinc/48/78/49/1385487849.db2.gz XPZOZEKVNPVCHQ-ROUUACIJSA-N 2 1 325.541 3.316 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CC1)c1ccccc1 ZINC001176120514 1385489941 /nfs/dbraw/zinc/48/99/41/1385489941.db2.gz RGHPIALKNHGUHE-YLJYHZDGSA-N 2 1 345.531 3.354 20 0 EGADMP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001176165417 1385500669 /nfs/dbraw/zinc/50/06/69/1385500669.db2.gz KWCTVILLPNMQKQ-ICSRJNTNSA-N 2 1 345.531 3.101 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C)c1 ZINC001176257073 1385529460 /nfs/dbraw/zinc/52/94/60/1385529460.db2.gz FMTOZXYRCNRDNB-LJQANCHMSA-N 2 1 347.547 3.492 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001176284403 1385538785 /nfs/dbraw/zinc/53/87/85/1385538785.db2.gz FXQUFPYBCGIHCI-MRXNPFEDSA-N 2 1 325.541 3.029 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH+](C)CCC2CC2)CC1 ZINC001317879440 1385558410 /nfs/dbraw/zinc/55/84/10/1385558410.db2.gz DPOTYNQGWXBHDF-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC(C[N@H+](C)CCC2CC2)CC1 ZINC001317879440 1385558412 /nfs/dbraw/zinc/55/84/12/1385558412.db2.gz DPOTYNQGWXBHDF-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CCC2CC2)CC1 ZINC001317879440 1385558414 /nfs/dbraw/zinc/55/84/14/1385558414.db2.gz DPOTYNQGWXBHDF-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317973260 1385593503 /nfs/dbraw/zinc/59/35/03/1385593503.db2.gz SHLYTCGCBWRDHZ-ROUUACIJSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176566213 1385627680 /nfs/dbraw/zinc/62/76/80/1385627680.db2.gz ZQEYBSHRKXFGSY-HKUYNNGSSA-N 2 1 335.536 3.093 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH2+]CCC1CCCCC1 ZINC001176591627 1385634541 /nfs/dbraw/zinc/63/45/41/1385634541.db2.gz NBJOYFLUUZDXSH-KRWDZBQOSA-N 2 1 348.535 3.427 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]C/C=C/c1ccccc1 ZINC001176754124 1385684466 /nfs/dbraw/zinc/68/44/66/1385684466.db2.gz RCGIGMIGONVQOJ-ATEOEAFZSA-N 2 1 345.531 3.305 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001176759848 1385687099 /nfs/dbraw/zinc/68/70/99/1385687099.db2.gz MJHRIQRJSGTRCC-XLIONFOSSA-N 2 1 345.531 3.354 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001176987035 1385764979 /nfs/dbraw/zinc/76/49/79/1385764979.db2.gz ZZOCUEJIAGEYPE-KRWDZBQOSA-N 2 1 341.499 3.337 20 0 EGADMP CCC(CC)C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001318632215 1385806412 /nfs/dbraw/zinc/80/64/12/1385806412.db2.gz KDONHBRKBNUNIJ-SFHVURJKSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)[C@H](CN[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCC1 ZINC001177208822 1385864872 /nfs/dbraw/zinc/86/48/72/1385864872.db2.gz AHOTZLBTNNSGQB-JBACZVJFSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[C@H](CN[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCC1 ZINC001177208822 1385864878 /nfs/dbraw/zinc/86/48/78/1385864878.db2.gz AHOTZLBTNNSGQB-JBACZVJFSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[C@H](C[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C)[NH+]1CCCC1 ZINC001177208822 1385864883 /nfs/dbraw/zinc/86/48/83/1385864883.db2.gz AHOTZLBTNNSGQB-JBACZVJFSA-N 2 1 329.532 3.217 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001177339274 1385918779 /nfs/dbraw/zinc/91/87/79/1385918779.db2.gz AUCFWEMRJVRIPO-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(CCC[NH2+]CCC1CC1)CC1CCCC1 ZINC001177415613 1385948515 /nfs/dbraw/zinc/94/85/15/1385948515.db2.gz FXUSQRHQGTZFGB-GOSISDBHSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001177433305 1385954713 /nfs/dbraw/zinc/95/47/13/1385954713.db2.gz AZHDJHMBLLALDC-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1C(C)C ZINC001177434047 1385955312 /nfs/dbraw/zinc/95/53/12/1385955312.db2.gz PBPFPDMAYDTKGI-UHFFFAOYSA-N 2 1 348.535 3.413 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001177440157 1385957436 /nfs/dbraw/zinc/95/74/36/1385957436.db2.gz BDRRQTRDTRHHPW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001177487681 1385976101 /nfs/dbraw/zinc/97/61/01/1385976101.db2.gz KMPHJOGWNJAXEZ-PXNSSMCTSA-N 2 1 325.456 3.405 20 0 EGADMP CCC1(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCOCC1 ZINC001177668746 1386019059 /nfs/dbraw/zinc/01/90/59/1386019059.db2.gz CGYGCXPOKMZNKZ-FQEVSTJZSA-N 2 1 330.516 3.347 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]CCCCCF)CC[N@H+]1C ZINC001178526976 1386241137 /nfs/dbraw/zinc/24/11/37/1386241137.db2.gz GNPPMZYOUFMUHC-ZWKOTPCHSA-N 2 1 343.531 3.123 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001178633629 1386264990 /nfs/dbraw/zinc/26/49/90/1386264990.db2.gz BOFJDKWVCZKACX-IBGZPJMESA-N 2 1 337.552 3.317 20 0 EGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001178634531 1386266158 /nfs/dbraw/zinc/26/61/58/1386266158.db2.gz YJGMQAUQHSLQKD-VOFKWLDRSA-N 2 1 337.552 3.483 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCC2CCC2)[C@@H]1C ZINC001178688419 1386277947 /nfs/dbraw/zinc/27/79/47/1386277947.db2.gz CHTAEJTWGGUUNY-WDSOQIARSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001178698597 1386281522 /nfs/dbraw/zinc/28/15/22/1386281522.db2.gz NHKMPHJLDNDQFI-KRWDZBQOSA-N 2 1 348.535 3.463 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001178698893 1386282533 /nfs/dbraw/zinc/28/25/33/1386282533.db2.gz YLYGNHLSLOYLFN-QGZVFWFLSA-N 2 1 334.508 3.073 20 0 EGADMP C[N@@H+](CC(=O)NCCCCCC[NH2+]Cc1ccccc1F)C1CCC1 ZINC001178702843 1386283490 /nfs/dbraw/zinc/28/34/90/1386283490.db2.gz XIUCOTBUXOKHAJ-UHFFFAOYSA-N 2 1 349.494 3.076 20 0 EGADMP CCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707641 1386285174 /nfs/dbraw/zinc/28/51/74/1386285174.db2.gz KJISEMYWXCCCRT-BJLQDIEVSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178832408 1386320864 /nfs/dbraw/zinc/32/08/64/1386320864.db2.gz FKBSANIUKQTQFM-SFHVURJKSA-N 2 1 325.541 3.317 20 0 EGADMP CCCCCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001178832406 1386321380 /nfs/dbraw/zinc/32/13/80/1386321380.db2.gz FKBSANIUKQTQFM-GOSISDBHSA-N 2 1 325.541 3.317 20 0 EGADMP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001178920670 1386349125 /nfs/dbraw/zinc/34/91/25/1386349125.db2.gz DMMVUIZIMICRHE-MSOLQXFVSA-N 2 1 343.531 3.121 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001319872497 1386349449 /nfs/dbraw/zinc/34/94/49/1386349449.db2.gz XWPCGXNTCFJXIN-INIZCTEOSA-N 2 1 342.487 3.273 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001178921148 1386350285 /nfs/dbraw/zinc/35/02/85/1386350285.db2.gz ZGFKLVNIUSGHNJ-LJQANCHMSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001179026224 1386380500 /nfs/dbraw/zinc/38/05/00/1386380500.db2.gz RRWRFCAYNRVKQQ-UHFFFAOYSA-N 2 1 334.508 3.038 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCCCCC[NH2+]C[C@@H](C)CC(C)C ZINC001179029240 1386381219 /nfs/dbraw/zinc/38/12/19/1386381219.db2.gz DYNCEHSNGWRRTN-KRWDZBQOSA-N 2 1 336.524 3.140 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001179549745 1386511996 /nfs/dbraw/zinc/51/19/96/1386511996.db2.gz ISPUVVUXDJZFAW-WMZOPIPTSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179634498 1386536810 /nfs/dbraw/zinc/53/68/10/1386536810.db2.gz VJUXJFXRDRYUNW-SQNIBIBYSA-N 2 1 348.535 3.268 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001179714491 1386562840 /nfs/dbraw/zinc/56/28/40/1386562840.db2.gz WWTMZNZEWOHPRR-KRWDZBQOSA-N 2 1 336.524 3.319 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]C[C@H](C)CC)[C@@H]1C ZINC001179748817 1386570965 /nfs/dbraw/zinc/57/09/65/1386570965.db2.gz LJKLCBBWOZEBJU-SQNIBIBYSA-N 2 1 325.541 3.124 20 0 EGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001179777184 1386581380 /nfs/dbraw/zinc/58/13/80/1386581380.db2.gz PSUOCNAFSMKLIO-BDUNBXCCSA-N 2 1 334.508 3.211 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+][C@@H](C)c1ccccc1 ZINC001179988512 1386660201 /nfs/dbraw/zinc/66/02/01/1386660201.db2.gz JIWGHBBWEHCCQP-SFHVURJKSA-N 2 1 333.520 3.356 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCCCCCC[NH2+]CCC2=CCCCC2)C1 ZINC001180060987 1386683954 /nfs/dbraw/zinc/68/39/54/1386683954.db2.gz WZIHFYIAGGGGEC-HXUWFJFHSA-N 2 1 349.563 3.485 20 0 EGADMP COC(=O)[C@H]1CCC[C@H]1[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001320709736 1386698165 /nfs/dbraw/zinc/69/81/65/1386698165.db2.gz XELKOWUZFYPCAV-ZWKOTPCHSA-N 2 1 332.488 3.076 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC([NH3+])(CC2CCC2)CC1)Cc1ccccc1 ZINC001181141216 1386944887 /nfs/dbraw/zinc/94/48/87/1386944887.db2.gz IAHWLYZDDRMESN-UHFFFAOYSA-N 2 1 343.515 3.019 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001181525638 1387010369 /nfs/dbraw/zinc/01/03/69/1387010369.db2.gz PEWSFSGUBZHKPP-MDJPVNNASA-N 2 1 349.563 3.147 20 0 EGADMP CC(C)[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001182345503 1387153192 /nfs/dbraw/zinc/15/31/92/1387153192.db2.gz BDNGEOIYJZXEFI-YFVAEKQCSA-N 2 1 349.563 3.266 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001182693618 1387208459 /nfs/dbraw/zinc/20/84/59/1387208459.db2.gz ZPIYARRXUCFXDZ-MZIIKBMYSA-N 2 1 346.519 3.334 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC)C1 ZINC001182917705 1387246312 /nfs/dbraw/zinc/24/63/12/1387246312.db2.gz ZUUXFCDYQZNPCR-UYAOXDASSA-N 2 1 339.568 3.373 20 0 EGADMP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329491958 1389130861 /nfs/dbraw/zinc/13/08/61/1389130861.db2.gz YXLHXHHOYPIRQB-UHFFFAOYSA-N 2 1 343.515 3.388 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCCCC[N@H+]1CC1=CCCCC1)[NH+](C)C ZINC001329935934 1389264353 /nfs/dbraw/zinc/26/43/53/1389264353.db2.gz IIMNMMKQYLWMDH-MOPGFXCFSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC001329937267 1389266469 /nfs/dbraw/zinc/26/64/69/1389266469.db2.gz NQIHBNZGONGNMU-PMACEKPBSA-N 2 1 345.531 3.134 20 0 EGADMP Cc1cc(CO)cc(NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC001330046401 1389293375 /nfs/dbraw/zinc/29/33/75/1389293375.db2.gz RBHSUJNHDCCTHM-FQEVSTJZSA-N 2 1 325.456 3.206 20 0 EGADMP Cc1cc(CO)cc(NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC001330046401 1389293379 /nfs/dbraw/zinc/29/33/79/1389293379.db2.gz RBHSUJNHDCCTHM-FQEVSTJZSA-N 2 1 325.456 3.206 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)CC2(O)CCCCC2)c1 ZINC001338459692 1389687457 /nfs/dbraw/zinc/68/74/57/1389687457.db2.gz FCEHKRUKKMODFH-FQEVSTJZSA-N 2 1 348.531 3.063 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)ccc2C)[C@@H]1C ZINC001332219376 1390050288 /nfs/dbraw/zinc/05/02/88/1390050288.db2.gz NUWTYXLKMWBMJK-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)ccc2C)[C@@H]1C ZINC001332219376 1390050293 /nfs/dbraw/zinc/05/02/93/1390050293.db2.gz NUWTYXLKMWBMJK-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2C)[C@@H]1C ZINC001332219376 1390050301 /nfs/dbraw/zinc/05/03/01/1390050301.db2.gz NUWTYXLKMWBMJK-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC001332882319 1390208519 /nfs/dbraw/zinc/20/85/19/1390208519.db2.gz XALOHPDASMDRJM-IWWKYQTOSA-N 2 1 340.511 3.444 20 0 EGADMP C[C@H]([NH3+])c1nc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cs1 ZINC001340055550 1390216769 /nfs/dbraw/zinc/21/67/69/1390216769.db2.gz BPTUUGHRIKEQKY-ZDUSSCGKSA-N 2 1 344.484 3.053 20 0 EGADMP CC(C)C[C@H]([NH3+])CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001340105964 1390227342 /nfs/dbraw/zinc/22/73/42/1390227342.db2.gz PZIMCJWHKNVGNL-RVKKMQEKSA-N 2 1 337.533 3.011 20 0 EGADMP Cc1nccn1-c1ccncc1NC(=O)c1cc(F)c(C)cc1F ZINC001340275887 1390263270 /nfs/dbraw/zinc/26/32/70/1390263270.db2.gz HZWPPLILLTVRCA-UHFFFAOYSA-N 2 1 328.322 3.415 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H](C[NH3+])c2ccccc2)cc1Cl ZINC001333750511 1390392275 /nfs/dbraw/zinc/39/22/75/1390392275.db2.gz MQNMPTFROJHPQR-MRXNPFEDSA-N 2 1 331.847 3.083 20 0 EGADMP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc4[nH]ccc4c3)c2)CC1 ZINC001335156907 1390649892 /nfs/dbraw/zinc/64/98/92/1390649892.db2.gz POUFMJYGPHLXFT-UHFFFAOYSA-N 2 1 348.494 3.205 20 0 EGADMP C[C@H]([NH2+]CCOC1CCSCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001335506932 1390695615 /nfs/dbraw/zinc/69/56/15/1390695615.db2.gz QXJBUYVMEAHCMY-PKOBYXMFSA-N 2 1 348.556 3.399 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCCC1 ZINC001698797419 1406468520 /nfs/dbraw/zinc/46/85/20/1406468520.db2.gz QEQRWIVUPONCIV-GOSISDBHSA-N 2 1 335.536 3.068 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cc(=O)oc2c1 ZINC001346018224 1390901113 /nfs/dbraw/zinc/90/11/13/1390901113.db2.gz SQXGDBNOSWWTNJ-UHFFFAOYSA-N 2 1 326.440 3.067 20 0 EGADMP C[N@@H+](CC(=O)NCC1([NH2+]Cc2ccccc2)CCCC1)CC(C)(C)C ZINC001698804538 1406484405 /nfs/dbraw/zinc/48/44/05/1406484405.db2.gz KWGXDUQHUABYIQ-UHFFFAOYSA-N 2 1 345.531 3.183 20 0 EGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001348515634 1391230994 /nfs/dbraw/zinc/23/09/94/1391230994.db2.gz OCEXKOHVQXDZGP-ZDUSSCGKSA-N 2 1 340.393 3.038 20 0 EGADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001349371984 1391324846 /nfs/dbraw/zinc/32/48/46/1391324846.db2.gz LHFIBCIDTKNQHG-UHFFFAOYSA-N 2 1 336.863 3.092 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001351288018 1391622049 /nfs/dbraw/zinc/62/20/49/1391622049.db2.gz KNTVYTSKZBOVTN-MOPGFXCFSA-N 2 1 331.504 3.059 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@H](C)c1ccccc1C ZINC001488685516 1391702489 /nfs/dbraw/zinc/70/24/89/1391702489.db2.gz KTLAYRLNJNQNEE-RTBURBONSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)c1ccccc1C ZINC001488685516 1391702496 /nfs/dbraw/zinc/70/24/96/1391702496.db2.gz KTLAYRLNJNQNEE-RTBURBONSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)c1ccccc1C ZINC001488685516 1391702499 /nfs/dbraw/zinc/70/24/99/1391702499.db2.gz KTLAYRLNJNQNEE-RTBURBONSA-N 2 1 345.531 3.321 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC001353338744 1391992018 /nfs/dbraw/zinc/99/20/18/1391992018.db2.gz IVKQBHQJYJAGLV-BBRMVZONSA-N 2 1 330.394 3.060 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001698850630 1406554015 /nfs/dbraw/zinc/55/40/15/1406554015.db2.gz NKVBHQMZSOLLGK-KRWDZBQOSA-N 2 1 348.535 3.413 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001479895771 1392464657 /nfs/dbraw/zinc/46/46/57/1392464657.db2.gz QNRPHEITCWUWHZ-UHFFFAOYSA-N 2 1 339.568 3.467 20 0 EGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001480109544 1392588937 /nfs/dbraw/zinc/58/89/37/1392588937.db2.gz HAEWMMZJJKXOTF-MOPGFXCFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001480180670 1392612715 /nfs/dbraw/zinc/61/27/15/1392612715.db2.gz FUCGQEHSYVIPPU-YQQQUEKLSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001480617957 1392822761 /nfs/dbraw/zinc/82/27/61/1392822761.db2.gz JLNDSSHXIBNPTR-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)(C)CCC[N@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001481127193 1393126814 /nfs/dbraw/zinc/12/68/14/1393126814.db2.gz QETAYQKUZWHCTQ-GOSISDBHSA-N 2 1 337.552 3.127 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[N@H+](CC1CCCCC1)C1CC1 ZINC001481187939 1393145578 /nfs/dbraw/zinc/14/55/78/1393145578.db2.gz TXMWYAOCTMFZLX-UHFFFAOYSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[N@@H+](CC1CCCCC1)C1CC1 ZINC001481187939 1393145579 /nfs/dbraw/zinc/14/55/79/1393145579.db2.gz TXMWYAOCTMFZLX-UHFFFAOYSA-N 2 1 346.519 3.167 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCCC1CCCC1 ZINC001698916710 1406651054 /nfs/dbraw/zinc/65/10/54/1406651054.db2.gz LUHDZUFCKLKSIR-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001481402312 1394251655 /nfs/dbraw/zinc/25/16/55/1394251655.db2.gz ZTHPLRPAMDXXCX-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCCN(C(=O)C[N@H+](C)C1CCC1)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001481402312 1394251657 /nfs/dbraw/zinc/25/16/57/1394251657.db2.gz ZTHPLRPAMDXXCX-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)C1CCC1)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001481402312 1394251666 /nfs/dbraw/zinc/25/16/66/1394251666.db2.gz ZTHPLRPAMDXXCX-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[C@@H](C[N@@H+](C)CC3CCCCC3)C2)CC1 ZINC001490768334 1394330720 /nfs/dbraw/zinc/33/07/20/1394330720.db2.gz LTKJQNKUJXVOSZ-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)CCC2CCCC2)C1 ZINC001490773407 1394335721 /nfs/dbraw/zinc/33/57/21/1394335721.db2.gz FOIHLUNSGDHZCZ-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)CCC2CCCC2)C1 ZINC001490773407 1394335724 /nfs/dbraw/zinc/33/57/24/1394335724.db2.gz FOIHLUNSGDHZCZ-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H](C[N@@H+](C)CCC2CCCC2)C1 ZINC001490773407 1394335731 /nfs/dbraw/zinc/33/57/31/1394335731.db2.gz FOIHLUNSGDHZCZ-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CC[C@H](C[N@@H+](C)CC3CCCCCC3)C2)CC1 ZINC001481499842 1394346340 /nfs/dbraw/zinc/34/63/40/1394346340.db2.gz YJDBHBWNZCVTQM-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)C1)C1CCC1 ZINC001481534961 1394393521 /nfs/dbraw/zinc/39/35/21/1394393521.db2.gz SJBBBPMBQWDDEP-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)C1)C1CCC1 ZINC001481534961 1394393527 /nfs/dbraw/zinc/39/35/27/1394393527.db2.gz SJBBBPMBQWDDEP-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)C1)C1CCC1 ZINC001481534961 1394393532 /nfs/dbraw/zinc/39/35/32/1394393532.db2.gz SJBBBPMBQWDDEP-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001481748664 1394493213 /nfs/dbraw/zinc/49/32/13/1394493213.db2.gz JRJXTCZQEODUFI-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+]([C@H](CC)c2ccccc2)C1 ZINC001481748664 1394493216 /nfs/dbraw/zinc/49/32/16/1394493216.db2.gz JRJXTCZQEODUFI-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC001481748664 1394493222 /nfs/dbraw/zinc/49/32/22/1394493222.db2.gz JRJXTCZQEODUFI-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP C[C@H](NC(=O)CCC[NH+]1CCCCC1)[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001491299633 1394501047 /nfs/dbraw/zinc/50/10/47/1394501047.db2.gz HPVUDXCIZBNZKE-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001482065757 1394726848 /nfs/dbraw/zinc/72/68/48/1394726848.db2.gz SINNGFNJAWBQFV-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCC1)c1ccccc1 ZINC001482213295 1394806788 /nfs/dbraw/zinc/80/67/88/1394806788.db2.gz JQUUCVUCCURJII-OALUTQOASA-N 2 1 343.515 3.251 20 0 EGADMP CC(C)c1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001482291289 1394869900 /nfs/dbraw/zinc/86/99/00/1394869900.db2.gz DOCDIBYBNKJWTK-KRWDZBQOSA-N 2 1 345.531 3.231 20 0 EGADMP C[C@H](C[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001482319437 1394890928 /nfs/dbraw/zinc/89/09/28/1394890928.db2.gz KOHUPJFTHQTBQH-VQIMIIECSA-N 2 1 345.531 3.015 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)[C@H](C)C1 ZINC001482433922 1394994678 /nfs/dbraw/zinc/99/46/78/1394994678.db2.gz MBNDCOUGBXSUFR-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@]2(CC[NH+](C(C)C)C2)C1)c1ccccc1 ZINC001483848468 1395115666 /nfs/dbraw/zinc/11/56/66/1395115666.db2.gz UUXKLBZFKXIJMV-CTNGQTDRSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](C(C)C)C2)C1)c1ccccc1 ZINC001483848468 1395115668 /nfs/dbraw/zinc/11/56/68/1395115668.db2.gz UUXKLBZFKXIJMV-CTNGQTDRSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](C(C)C)C2)C1)c1ccccc1 ZINC001483848468 1395115673 /nfs/dbraw/zinc/11/56/73/1395115673.db2.gz UUXKLBZFKXIJMV-CTNGQTDRSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@@]2(C)CC[N@@H+](CC3CCCC3)C2)CCCCC1 ZINC001484054763 1395217990 /nfs/dbraw/zinc/21/79/90/1395217990.db2.gz ODXMWAAKTOHQMC-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+](Cc2cccc(C)c2)C1 ZINC001484175201 1395321802 /nfs/dbraw/zinc/32/18/02/1395321802.db2.gz UKIAFZLAPPEVNM-OAQYLSRUSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@]1(C)CCC[N@H+](Cc2cccc(C)c2)C1 ZINC001484175201 1395321804 /nfs/dbraw/zinc/32/18/04/1395321804.db2.gz UKIAFZLAPPEVNM-OAQYLSRUSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC001484175201 1395321811 /nfs/dbraw/zinc/32/18/11/1395321811.db2.gz UKIAFZLAPPEVNM-OAQYLSRUSA-N 2 1 345.531 3.055 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH+](C)CCC1CCCC1 ZINC001484769162 1395526081 /nfs/dbraw/zinc/52/60/81/1395526081.db2.gz OYNZPAGRNCYJRD-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CCC[N@H+](C)CCC1CCCC1 ZINC001484769162 1395526085 /nfs/dbraw/zinc/52/60/85/1395526085.db2.gz OYNZPAGRNCYJRD-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)CCC1CCCC1 ZINC001484769162 1395526088 /nfs/dbraw/zinc/52/60/88/1395526088.db2.gz OYNZPAGRNCYJRD-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)c1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485351284 1395826870 /nfs/dbraw/zinc/82/68/70/1395826870.db2.gz SQIIEERBDMJGTI-FXAWDEMLSA-N 2 1 347.547 3.333 20 0 EGADMP C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C1C[NH+](CC2CCCC2)C1 ZINC001485517576 1395994543 /nfs/dbraw/zinc/99/45/43/1395994543.db2.gz VRDABSQDYPERIG-QGZVFWFLSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001505410334 1396294100 /nfs/dbraw/zinc/29/41/00/1396294100.db2.gz GCHXNHDQIHAFKC-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1 ZINC001492256634 1396316799 /nfs/dbraw/zinc/31/67/99/1396316799.db2.gz ILQBAMCWAZGAKO-SQGPQFPESA-N 2 1 345.531 3.259 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCN(C)[C@@H](C)c1ccccc1F ZINC001492442112 1396322512 /nfs/dbraw/zinc/32/25/12/1396322512.db2.gz UILKJHIAFMUESW-LPHOPBHVSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)c1ccccc1F ZINC001492442112 1396322514 /nfs/dbraw/zinc/32/25/14/1396322514.db2.gz UILKJHIAFMUESW-LPHOPBHVSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1F ZINC001492442112 1396322515 /nfs/dbraw/zinc/32/25/15/1396322515.db2.gz UILKJHIAFMUESW-LPHOPBHVSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC001492442112 1396322516 /nfs/dbraw/zinc/32/25/16/1396322516.db2.gz UILKJHIAFMUESW-LPHOPBHVSA-N 2 1 349.494 3.198 20 0 EGADMP CN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001690023205 1404261650 /nfs/dbraw/zinc/26/16/50/1404261650.db2.gz IKYOTOVXICHASO-UHFFFAOYSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1C ZINC001690213770 1404421450 /nfs/dbraw/zinc/42/14/50/1404421450.db2.gz MXUVWPGGRIFPRM-KDURUIRLSA-N 2 1 346.519 3.083 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1C ZINC001690213770 1404421455 /nfs/dbraw/zinc/42/14/55/1404421455.db2.gz MXUVWPGGRIFPRM-KDURUIRLSA-N 2 1 346.519 3.083 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)NC[C@H]1CCCC[N@H+]1CCC1CC1 ZINC001690459867 1404590977 /nfs/dbraw/zinc/59/09/77/1404590977.db2.gz ULLKRUHJVZVOAN-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CCC([NH2+]Cc2ccccc2C)CC1 ZINC001690544543 1404628682 /nfs/dbraw/zinc/62/86/82/1404628682.db2.gz RZGVBHDXSWJJGY-UHFFFAOYSA-N 2 1 345.531 3.244 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001690824311 1404760896 /nfs/dbraw/zinc/76/08/96/1404760896.db2.gz AQPVUGLZQGGWSZ-QUCCMNQESA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)[C@H](C)c2ccccc2)C1 ZINC001690824311 1404760899 /nfs/dbraw/zinc/76/08/99/1404760899.db2.gz AQPVUGLZQGGWSZ-QUCCMNQESA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)c2ccccc2)C1 ZINC001690824311 1404760902 /nfs/dbraw/zinc/76/09/02/1404760902.db2.gz AQPVUGLZQGGWSZ-QUCCMNQESA-N 2 1 345.531 3.402 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@H]2CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001691082131 1405016721 /nfs/dbraw/zinc/01/67/21/1405016721.db2.gz GDPVYXYZCROONL-HKUYNNGSSA-N 2 1 343.515 3.121 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001691100605 1405039104 /nfs/dbraw/zinc/03/91/04/1405039104.db2.gz YJFVIBYLVFIGGN-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC001691100605 1405039107 /nfs/dbraw/zinc/03/91/07/1405039107.db2.gz YJFVIBYLVFIGGN-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001691108389 1405049122 /nfs/dbraw/zinc/04/91/22/1405049122.db2.gz IEDQGNANCNGMSI-HXUWFJFHSA-N 2 1 349.563 3.413 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001691163314 1405098641 /nfs/dbraw/zinc/09/86/41/1405098641.db2.gz SXNRXFYEFUCONF-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001698571417 1406176573 /nfs/dbraw/zinc/17/65/73/1406176573.db2.gz RCVOZQUKDSTWEA-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001698571417 1406176575 /nfs/dbraw/zinc/17/65/75/1406176575.db2.gz RCVOZQUKDSTWEA-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP C[NH+](C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)CCCC(C)(C)C)C2)CCC1 ZINC001732072730 1428322270 /nfs/dbraw/zinc/32/22/70/1428322270.db2.gz UMPPZPJVAKXDCR-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)Cc2ccccc2C)C1 ZINC001732081797 1428336935 /nfs/dbraw/zinc/33/69/35/1428336935.db2.gz QRXDXBSHBXKWTG-IBGZPJMESA-N 2 1 345.531 3.007 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2C)C1 ZINC001732081797 1428336938 /nfs/dbraw/zinc/33/69/38/1428336938.db2.gz QRXDXBSHBXKWTG-IBGZPJMESA-N 2 1 345.531 3.007 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2C)C1 ZINC001732081797 1428336942 /nfs/dbraw/zinc/33/69/42/1428336942.db2.gz QRXDXBSHBXKWTG-IBGZPJMESA-N 2 1 345.531 3.007 20 0 EGADMP C[N@@H+](CCC(=O)NC1C[NH+](CC2CCCCCC2)C1)C1CCCCC1 ZINC001732105806 1428363433 /nfs/dbraw/zinc/36/34/33/1428363433.db2.gz MARVAPLIXQZQOW-UHFFFAOYSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)cs1 ZINC001732153282 1428397208 /nfs/dbraw/zinc/39/72/08/1428397208.db2.gz KHACHGCDDQDUEY-SFHVURJKSA-N 2 1 349.544 3.013 20 0 EGADMP CC[C@H]([NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCC1)c1ccccc1 ZINC001732226598 1428475066 /nfs/dbraw/zinc/47/50/66/1428475066.db2.gz AJTARPLDXZQSRI-RBUKOAKNSA-N 2 1 343.515 3.251 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001699700921 1413114769 /nfs/dbraw/zinc/11/47/69/1413114769.db2.gz BFXNLBULCFAWNE-RXVVDRJESA-N 2 1 343.515 3.014 20 0 EGADMP CC(C)(C)CCC[N@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001699827396 1413255613 /nfs/dbraw/zinc/25/56/13/1413255613.db2.gz WOCFBJPIMCBKMR-FQEVSTJZSA-N 2 1 337.552 3.269 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001699856284 1413287712 /nfs/dbraw/zinc/28/77/12/1413287712.db2.gz WNTAWQNYGNPHHN-RXVVDRJESA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001700185354 1413604369 /nfs/dbraw/zinc/60/43/69/1413604369.db2.gz ZSYMRDVKPXTJBQ-RTBURBONSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2C)CC1 ZINC001700185354 1413604373 /nfs/dbraw/zinc/60/43/73/1413604373.db2.gz ZSYMRDVKPXTJBQ-RTBURBONSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2C)CC1 ZINC001700185354 1413604378 /nfs/dbraw/zinc/60/43/78/1413604378.db2.gz ZSYMRDVKPXTJBQ-RTBURBONSA-N 2 1 345.531 3.369 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001700190334 1413618233 /nfs/dbraw/zinc/61/82/33/1413618233.db2.gz AGGCPLNPHQCREE-SFHVURJKSA-N 2 1 345.531 3.321 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001700293907 1413751404 /nfs/dbraw/zinc/75/14/04/1413751404.db2.gz KRAWJUZLWOBXQX-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001700356139 1413858602 /nfs/dbraw/zinc/85/86/02/1413858602.db2.gz NLGLLXIZVOCLJW-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001700482239 1414121675 /nfs/dbraw/zinc/12/16/75/1414121675.db2.gz XRRPWMXFGBIQOX-ICSRJNTNSA-N 2 1 345.531 3.306 20 0 EGADMP CCC(CC)C[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732581620 1428787789 /nfs/dbraw/zinc/78/77/89/1428787789.db2.gz IMMPTHUZONBHNH-UHFFFAOYSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+][C@H](C)c2ccccc2F)C1 ZINC001701024413 1414685916 /nfs/dbraw/zinc/68/59/16/1414685916.db2.gz CWMRUNBREVCXFC-KLAILNCOSA-N 2 1 349.494 3.198 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001732744882 1428942611 /nfs/dbraw/zinc/94/26/11/1428942611.db2.gz GRNGFNLAFGBVHX-KXBFYZLASA-N 2 1 349.494 3.029 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001713461664 1418119430 /nfs/dbraw/zinc/11/94/30/1418119430.db2.gz JJVASMUIUOYZPT-SFHVURJKSA-N 2 1 345.531 3.308 20 0 EGADMP CC[N@@H+](CCNC(=O)C1CC[NH+](CC2CC2)CC1)CC1CCCCC1 ZINC001713495821 1418203949 /nfs/dbraw/zinc/20/39/49/1418203949.db2.gz BWRWOHOQKJGLRU-UHFFFAOYSA-N 2 1 349.563 3.127 20 0 EGADMP CC[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)[C@H](C)c1cccc(C)c1 ZINC001713497488 1418208994 /nfs/dbraw/zinc/20/89/94/1418208994.db2.gz PEKDZEFHNHREJB-LJQANCHMSA-N 2 1 345.531 3.370 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001713515548 1418250218 /nfs/dbraw/zinc/25/02/18/1418250218.db2.gz WXBPAZLVBOBPQN-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001713515548 1418250222 /nfs/dbraw/zinc/25/02/22/1418250222.db2.gz WXBPAZLVBOBPQN-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001713515548 1418250225 /nfs/dbraw/zinc/25/02/25/1418250225.db2.gz WXBPAZLVBOBPQN-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001713515549 1418250747 /nfs/dbraw/zinc/25/07/47/1418250747.db2.gz WXBPAZLVBOBPQN-ROUUACIJSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001713515549 1418250755 /nfs/dbraw/zinc/25/07/55/1418250755.db2.gz WXBPAZLVBOBPQN-ROUUACIJSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001713515549 1418250763 /nfs/dbraw/zinc/25/07/63/1418250763.db2.gz WXBPAZLVBOBPQN-ROUUACIJSA-N 2 1 339.568 3.227 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001713530354 1418278107 /nfs/dbraw/zinc/27/81/07/1418278107.db2.gz DLCXKCGWXFZNNV-XLIONFOSSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001713530354 1418278109 /nfs/dbraw/zinc/27/81/09/1418278109.db2.gz DLCXKCGWXFZNNV-XLIONFOSSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001713530354 1418278113 /nfs/dbraw/zinc/27/81/13/1418278113.db2.gz DLCXKCGWXFZNNV-XLIONFOSSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001713838545 1418636028 /nfs/dbraw/zinc/63/60/28/1418636028.db2.gz PNZOCGLBLUTSFI-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@@H+](CCCC(C)(C)C)C2)CCC1 ZINC001714035339 1418824124 /nfs/dbraw/zinc/82/41/24/1418824124.db2.gz JGSTZZIIRTVFKL-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](Cc2cc(C)ccc2C)C1 ZINC001714048887 1418846425 /nfs/dbraw/zinc/84/64/25/1418846425.db2.gz DZGJXMGYBJLLTB-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001714048887 1418846430 /nfs/dbraw/zinc/84/64/30/1418846430.db2.gz DZGJXMGYBJLLTB-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001714048887 1418846431 /nfs/dbraw/zinc/84/64/31/1418846431.db2.gz DZGJXMGYBJLLTB-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001714149656 1418955852 /nfs/dbraw/zinc/95/58/52/1418955852.db2.gz FANOHGYBWSSLMV-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)C1(C[NH+](C)C)CC1)CC2 ZINC001714364948 1419125237 /nfs/dbraw/zinc/12/52/37/1419125237.db2.gz BNBRTYZIFJCPLD-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)[C@H](C)c1ccccc1 ZINC001714587150 1419330650 /nfs/dbraw/zinc/33/06/50/1419330650.db2.gz OGZAMWQTFXEKJD-QUCCMNQESA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[C@H](C)c1ccccc1 ZINC001714587150 1419330651 /nfs/dbraw/zinc/33/06/51/1419330651.db2.gz OGZAMWQTFXEKJD-QUCCMNQESA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)[C@H](C)c1ccccc1 ZINC001714587150 1419330655 /nfs/dbraw/zinc/33/06/55/1419330655.db2.gz OGZAMWQTFXEKJD-QUCCMNQESA-N 2 1 345.531 3.306 20 0 EGADMP Cc1cccc(C[N@@H+](CCNC(=O)c2cccc3nccn32)C2CC2)c1 ZINC001714669438 1419459201 /nfs/dbraw/zinc/45/92/01/1419459201.db2.gz WQGOKCYNNYFREM-UHFFFAOYSA-N 2 1 348.450 3.037 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001714829098 1419538967 /nfs/dbraw/zinc/53/89/67/1419538967.db2.gz CMEXBNQPNKOWFW-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001714900738 1419642084 /nfs/dbraw/zinc/64/20/84/1419642084.db2.gz VPAQIPIPJZALOT-IAGOWNOFSA-N 2 1 349.494 3.009 20 0 EGADMP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001714925434 1419679458 /nfs/dbraw/zinc/67/94/58/1419679458.db2.gz IWRMLCOWEBQHSH-SGSXCFNPSA-N 2 1 343.515 3.055 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001714925434 1419679459 /nfs/dbraw/zinc/67/94/59/1419679459.db2.gz IWRMLCOWEBQHSH-SGSXCFNPSA-N 2 1 343.515 3.055 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001714925434 1419679463 /nfs/dbraw/zinc/67/94/63/1419679463.db2.gz IWRMLCOWEBQHSH-SGSXCFNPSA-N 2 1 343.515 3.055 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001714925434 1419679465 /nfs/dbraw/zinc/67/94/65/1419679465.db2.gz IWRMLCOWEBQHSH-SGSXCFNPSA-N 2 1 343.515 3.055 20 0 EGADMP CC[C@@H](C(=O)NC1C[NH+]([C@@H](C)c2cccc3ccccc32)C1)[NH+](C)C ZINC001714946671 1419690035 /nfs/dbraw/zinc/69/00/35/1419690035.db2.gz LPMDINIMLLXYJR-YWZLYKJASA-N 2 1 339.483 3.041 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001714992246 1419724835 /nfs/dbraw/zinc/72/48/35/1419724835.db2.gz GKJYLUZGXTXGOV-HOJAQTOUSA-N 2 1 349.563 3.074 20 0 EGADMP CCc1ccc(C[N@@H+](C)CCN(C)C(=O)C[NH+](C)CC(C)(C)C)cc1 ZINC001715534481 1420227999 /nfs/dbraw/zinc/22/79/99/1420227999.db2.gz WUBCOVNPZADCPZ-UHFFFAOYSA-N 2 1 347.547 3.117 20 0 EGADMP CCc1ccc(C[NH+](C)CCN(C)C(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001715534481 1420228002 /nfs/dbraw/zinc/22/80/02/1420228002.db2.gz WUBCOVNPZADCPZ-UHFFFAOYSA-N 2 1 347.547 3.117 20 0 EGADMP CCc1ccc(C[NH+](C)CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001715534481 1420228004 /nfs/dbraw/zinc/22/80/04/1420228004.db2.gz WUBCOVNPZADCPZ-UHFFFAOYSA-N 2 1 347.547 3.117 20 0 EGADMP CC(C)[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC1CCCCC1 ZINC001715645485 1420277538 /nfs/dbraw/zinc/27/75/38/1420277538.db2.gz NJFTWFWRNMPRDA-GOSISDBHSA-N 2 1 339.568 3.275 20 0 EGADMP C[C@H](CC[NH2+][C@H]1CCCc2ccccc21)NC(=O)C[N@@H+](C)C1CCC1 ZINC001715656115 1420281270 /nfs/dbraw/zinc/28/12/70/1420281270.db2.gz OLBFPVVPLRFFPB-UZLBHIALSA-N 2 1 343.515 3.033 20 0 EGADMP C[C@@H](C[N@@H+](C)CCCC1CCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716031131 1420489395 /nfs/dbraw/zinc/48/93/95/1420489395.db2.gz RLNPIQWTIFDJDI-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](C[N@@H+](C)[C@H](C)c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716031996 1420490850 /nfs/dbraw/zinc/49/08/50/1420490850.db2.gz VNTBSTYIPSMQSA-QZTJIDSGSA-N 2 1 345.531 3.449 20 0 EGADMP Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001716446823 1420664718 /nfs/dbraw/zinc/66/47/18/1420664718.db2.gz NTFLOIVNLGVNTD-SFHVURJKSA-N 2 1 345.531 3.244 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001717216427 1421194573 /nfs/dbraw/zinc/19/45/73/1421194573.db2.gz IPHBQBBDFYGWQH-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001717216427 1421194574 /nfs/dbraw/zinc/19/45/74/1421194574.db2.gz IPHBQBBDFYGWQH-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001717216427 1421194575 /nfs/dbraw/zinc/19/45/75/1421194575.db2.gz IPHBQBBDFYGWQH-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC001717485958 1421422807 /nfs/dbraw/zinc/42/28/07/1421422807.db2.gz WYGUFGIFWMIGFZ-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+](C)CC1CCCCCC1 ZINC001717488673 1421425732 /nfs/dbraw/zinc/42/57/32/1421425732.db2.gz YXSFDHVWSLIVAC-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@H+](C)CC1CCCCCC1 ZINC001717488673 1421425733 /nfs/dbraw/zinc/42/57/33/1421425733.db2.gz YXSFDHVWSLIVAC-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@@H+](C)CC1CCCCCC1 ZINC001717488673 1421425735 /nfs/dbraw/zinc/42/57/35/1421425735.db2.gz YXSFDHVWSLIVAC-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccccc1 ZINC001717747734 1421610121 /nfs/dbraw/zinc/61/01/21/1421610121.db2.gz RXKBEZHZHFTPFC-IAGOWNOFSA-N 2 1 342.487 3.169 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001717886037 1421688298 /nfs/dbraw/zinc/68/82/98/1421688298.db2.gz YMVQCOVGKLMRSZ-RBUKOAKNSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001733379474 1429563447 /nfs/dbraw/zinc/56/34/47/1429563447.db2.gz GFFLFXUEQQXXFJ-OALUTQOASA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001733441049 1429648932 /nfs/dbraw/zinc/64/89/32/1429648932.db2.gz MQWAAZOVQKUGCC-UZLBHIALSA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+](CC3CCC3)C2)CC1 ZINC001733459787 1429682517 /nfs/dbraw/zinc/68/25/17/1429682517.db2.gz AFDAZULBNGFKGO-OAQYLSRUSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCCCC2)CC1 ZINC001723529234 1424453019 /nfs/dbraw/zinc/45/30/19/1424453019.db2.gz HYZDSPRGQMMGLR-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2csc(C)c2)CCC1 ZINC001724800864 1425169357 /nfs/dbraw/zinc/16/93/57/1425169357.db2.gz OVZVZGFGOHMJRC-QGZVFWFLSA-N 2 1 349.544 3.059 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001724846782 1425200057 /nfs/dbraw/zinc/20/00/57/1425200057.db2.gz TZTZGJSRYREKGN-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001724846782 1425200062 /nfs/dbraw/zinc/20/00/62/1425200062.db2.gz TZTZGJSRYREKGN-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001724846782 1425200065 /nfs/dbraw/zinc/20/00/65/1425200065.db2.gz TZTZGJSRYREKGN-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001724865258 1425248259 /nfs/dbraw/zinc/24/82/59/1425248259.db2.gz CXOUBUSVSVUFES-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)Cc1cc(C)ccc1C ZINC001725051140 1425483647 /nfs/dbraw/zinc/48/36/47/1425483647.db2.gz CDOUXSOQMWVHHN-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(C)ccc1C ZINC001725051140 1425483650 /nfs/dbraw/zinc/48/36/50/1425483650.db2.gz CDOUXSOQMWVHHN-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(C)ccc1C ZINC001725051140 1425483653 /nfs/dbraw/zinc/48/36/53/1425483653.db2.gz CDOUXSOQMWVHHN-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1cccc(CC)c1 ZINC001725054417 1425488940 /nfs/dbraw/zinc/48/89/40/1425488940.db2.gz VXOAGXRZSAYIDD-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cccc(CC)c1 ZINC001725054417 1425488947 /nfs/dbraw/zinc/48/89/47/1425488947.db2.gz VXOAGXRZSAYIDD-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cccc(CC)c1 ZINC001725054417 1425488951 /nfs/dbraw/zinc/48/89/51/1425488951.db2.gz VXOAGXRZSAYIDD-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[N@@H+](C)CCC1CCCCCC1 ZINC001725175063 1425689539 /nfs/dbraw/zinc/68/95/39/1425689539.db2.gz UHMVWJUWGBVGQK-SFHVURJKSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@H](C)c1ccccc1Cl ZINC001725188939 1425728536 /nfs/dbraw/zinc/72/85/36/1425728536.db2.gz KXGVTWGVMPTGJD-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)c1ccccc1Cl ZINC001725188939 1425728538 /nfs/dbraw/zinc/72/85/38/1425728538.db2.gz KXGVTWGVMPTGJD-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC001725188939 1425728546 /nfs/dbraw/zinc/72/85/46/1425728546.db2.gz KXGVTWGVMPTGJD-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCCC[N@H+]2CC2CCCCC2)CC1 ZINC001725242528 1425850602 /nfs/dbraw/zinc/85/06/02/1425850602.db2.gz OYJLHUCUEKUEBP-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001725657159 1426340359 /nfs/dbraw/zinc/34/03/59/1426340359.db2.gz UGXPEZCWHXSBIP-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(C)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001725772072 1426456080 /nfs/dbraw/zinc/45/60/80/1426456080.db2.gz VJSPEOFMNVTXJI-UHFFFAOYSA-N 2 1 345.531 3.183 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1Cc1c(C)cccc1C ZINC001731542898 1427555353 /nfs/dbraw/zinc/55/53/53/1427555353.db2.gz PNGRSFPCZSGGPY-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1c(C)cccc1C ZINC001731542898 1427555357 /nfs/dbraw/zinc/55/53/57/1427555357.db2.gz PNGRSFPCZSGGPY-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@H+]1Cc1c(C)cccc1C ZINC001731542898 1427555363 /nfs/dbraw/zinc/55/53/63/1427555363.db2.gz PNGRSFPCZSGGPY-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001731561061 1427597969 /nfs/dbraw/zinc/59/79/69/1427597969.db2.gz YQIUERUHXQHYBQ-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC001731561061 1427597971 /nfs/dbraw/zinc/59/79/71/1427597971.db2.gz YQIUERUHXQHYBQ-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001731561061 1427597976 /nfs/dbraw/zinc/59/79/76/1427597976.db2.gz YQIUERUHXQHYBQ-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[N@H+](C/C=C\c1ccccc1)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001731865494 1428112949 /nfs/dbraw/zinc/11/29/49/1428112949.db2.gz ABPAGVXQQFWYJT-FNUUXAGOSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C/C=C\c1ccccc1)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001731865494 1428112951 /nfs/dbraw/zinc/11/29/51/1428112951.db2.gz ABPAGVXQQFWYJT-FNUUXAGOSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C/C=C\c1ccccc1)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001731865494 1428112953 /nfs/dbraw/zinc/11/29/53/1428112953.db2.gz ABPAGVXQQFWYJT-FNUUXAGOSA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001733581729 1429785118 /nfs/dbraw/zinc/78/51/18/1429785118.db2.gz YDOMGCCPHVRBGF-CEXWTWQISA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](C[C@H](C)CC(C)C)CC1(C)C ZINC001733877580 1437704614 /nfs/dbraw/zinc/70/46/14/1437704614.db2.gz CPRWKCILWPURQL-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](C[C@H](C)CC(C)C)CC1(C)C ZINC001733877580 1437704616 /nfs/dbraw/zinc/70/46/16/1437704616.db2.gz CPRWKCILWPURQL-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](C[C@H](C)CC(C)C)CC1(C)C ZINC001733877580 1437704617 /nfs/dbraw/zinc/70/46/17/1437704617.db2.gz CPRWKCILWPURQL-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CCCC(C)(C)C ZINC001733902574 1437720137 /nfs/dbraw/zinc/72/01/37/1437720137.db2.gz VOZZRLPZAZUEKY-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@H+](CC(C)C)CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001733920418 1437734259 /nfs/dbraw/zinc/73/42/59/1437734259.db2.gz IIEMCSDYYCGHIU-UHFFFAOYSA-N 2 1 348.535 3.223 20 0 EGADMP CC[N@@H+](CC(C)C)CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001733920418 1437734261 /nfs/dbraw/zinc/73/42/61/1437734261.db2.gz IIEMCSDYYCGHIU-UHFFFAOYSA-N 2 1 348.535 3.223 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[N@@H+](C)CCC2CC2)CCCCC1 ZINC001733933452 1437746849 /nfs/dbraw/zinc/74/68/49/1437746849.db2.gz HKDYHMNNROPJIF-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001734271522 1438002027 /nfs/dbraw/zinc/00/20/27/1438002027.db2.gz GTDZWVYABHXRAV-KRWDZBQOSA-N 2 1 343.515 3.012 20 0 EGADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC1CC(C)(C)C1 ZINC001751989467 1440131327 /nfs/dbraw/zinc/13/13/27/1440131327.db2.gz ODMDKPXMJAXMEY-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CC1CC(C)(C)C1 ZINC001751989467 1440131329 /nfs/dbraw/zinc/13/13/29/1440131329.db2.gz ODMDKPXMJAXMEY-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CC1CC(C)(C)C1 ZINC001751989467 1440131330 /nfs/dbraw/zinc/13/13/30/1440131330.db2.gz ODMDKPXMJAXMEY-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NCCC[N@@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001752091409 1440140219 /nfs/dbraw/zinc/14/02/19/1440140219.db2.gz YEADDMWIABJTRM-UHFFFAOYSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001752146256 1440146100 /nfs/dbraw/zinc/14/61/00/1440146100.db2.gz ZIRAGPBKVMPQDC-PKOBYXMFSA-N 2 1 337.552 3.409 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)[C@H](C)c1cc(C)ccc1C ZINC001752232157 1440158760 /nfs/dbraw/zinc/15/87/60/1440158760.db2.gz WCKSYRLONOFZRX-MOPGFXCFSA-N 2 1 345.531 3.144 20 0 EGADMP CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H](C)c1cc(C)ccc1C ZINC001752232157 1440158761 /nfs/dbraw/zinc/15/87/61/1440158761.db2.gz WCKSYRLONOFZRX-MOPGFXCFSA-N 2 1 345.531 3.144 20 0 EGADMP CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H](C)c1cc(C)ccc1C ZINC001752232157 1440158762 /nfs/dbraw/zinc/15/87/62/1440158762.db2.gz WCKSYRLONOFZRX-MOPGFXCFSA-N 2 1 345.531 3.144 20 0 EGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)cc1C ZINC001752329846 1440171266 /nfs/dbraw/zinc/17/12/66/1440171266.db2.gz BNMRWBSSCPTPCE-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC12CC[NH+](CCC1CCCCC1)CC2 ZINC001752431985 1440178633 /nfs/dbraw/zinc/17/86/33/1440178633.db2.gz QQEMLYZMJOGETO-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCC/C=C/CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001752515153 1440190841 /nfs/dbraw/zinc/19/08/41/1440190841.db2.gz XCWFMFHQGSWHFA-RLWBPELLSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001752515153 1440190842 /nfs/dbraw/zinc/19/08/42/1440190842.db2.gz XCWFMFHQGSWHFA-RLWBPELLSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001752515153 1440190843 /nfs/dbraw/zinc/19/08/43/1440190843.db2.gz XCWFMFHQGSWHFA-RLWBPELLSA-N 2 1 349.563 3.388 20 0 EGADMP C[N@@H+](CC1CCC1)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001752524632 1440192615 /nfs/dbraw/zinc/19/26/15/1440192615.db2.gz GJEMIWUXLALSDL-FQEVSTJZSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCC3CCCC3)CC[C@H]21 ZINC001752708147 1440203018 /nfs/dbraw/zinc/20/30/18/1440203018.db2.gz RMDVLKQAPIBKIR-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]2C[N@H+](CCC3CCCC3)CC[C@H]21 ZINC001752708147 1440203019 /nfs/dbraw/zinc/20/30/19/1440203019.db2.gz RMDVLKQAPIBKIR-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]2C[N@@H+](CCC3CCCC3)CC[C@H]21 ZINC001752708147 1440203020 /nfs/dbraw/zinc/20/30/20/1440203020.db2.gz RMDVLKQAPIBKIR-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001752732024 1440204156 /nfs/dbraw/zinc/20/41/56/1440204156.db2.gz XWJGKKWOEGWXNF-QRVBRYPASA-N 2 1 349.563 3.458 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001752823315 1440221897 /nfs/dbraw/zinc/22/18/97/1440221897.db2.gz ASEHGZROWVVQRZ-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCCC1 ZINC001752823315 1440221898 /nfs/dbraw/zinc/22/18/98/1440221898.db2.gz ASEHGZROWVVQRZ-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCCC1 ZINC001752823315 1440221899 /nfs/dbraw/zinc/22/18/99/1440221899.db2.gz ASEHGZROWVVQRZ-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001752825192 1440223346 /nfs/dbraw/zinc/22/33/46/1440223346.db2.gz NEIWRPMDAGKNGR-UXHICEINSA-N 2 1 343.515 3.226 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001752825192 1440223347 /nfs/dbraw/zinc/22/33/47/1440223347.db2.gz NEIWRPMDAGKNGR-UXHICEINSA-N 2 1 343.515 3.226 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001752827365 1440224135 /nfs/dbraw/zinc/22/41/35/1440224135.db2.gz AIMAIMSPSVQPJE-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001753000625 1440264460 /nfs/dbraw/zinc/26/44/60/1440264460.db2.gz SULJRXTYEVFNNR-PKOBYXMFSA-N 2 1 331.504 3.011 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001753000625 1440264461 /nfs/dbraw/zinc/26/44/61/1440264461.db2.gz SULJRXTYEVFNNR-PKOBYXMFSA-N 2 1 331.504 3.011 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001753000625 1440264462 /nfs/dbraw/zinc/26/44/62/1440264462.db2.gz SULJRXTYEVFNNR-PKOBYXMFSA-N 2 1 331.504 3.011 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001753055223 1440281125 /nfs/dbraw/zinc/28/11/25/1440281125.db2.gz LTBLDZBWSPABFW-PMACEKPBSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001753055223 1440281126 /nfs/dbraw/zinc/28/11/26/1440281126.db2.gz LTBLDZBWSPABFW-PMACEKPBSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001753055223 1440281127 /nfs/dbraw/zinc/28/11/27/1440281127.db2.gz LTBLDZBWSPABFW-PMACEKPBSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)[C@H](C)c1ccc(F)cc1 ZINC001753095036 1440302014 /nfs/dbraw/zinc/30/20/14/1440302014.db2.gz NCBRJRAMQHSRAO-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)[C@H](C)c1ccc(F)cc1 ZINC001753095036 1440302015 /nfs/dbraw/zinc/30/20/15/1440302015.db2.gz NCBRJRAMQHSRAO-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)[C@H](C)c1ccc(F)cc1 ZINC001753095036 1440302016 /nfs/dbraw/zinc/30/20/16/1440302016.db2.gz NCBRJRAMQHSRAO-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001753115900 1440311224 /nfs/dbraw/zinc/31/12/24/1440311224.db2.gz IMTZPACYYSSSFS-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)NC[C@H]1CCC[NH+]1CC=C(C)C)c1ccccc1 ZINC001753116571 1440311642 /nfs/dbraw/zinc/31/16/42/1440311642.db2.gz NGWKMQOXYRUMFV-UXHICEINSA-N 2 1 343.515 3.226 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1CCC[NH+]1CC=C(C)C)c1ccccc1 ZINC001753116571 1440311643 /nfs/dbraw/zinc/31/16/43/1440311643.db2.gz NGWKMQOXYRUMFV-UXHICEINSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC=C(C)C)c1ccccc1 ZINC001753116571 1440311644 /nfs/dbraw/zinc/31/16/44/1440311644.db2.gz NGWKMQOXYRUMFV-UXHICEINSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC=C(C)C)c1ccccc1 ZINC001753116571 1440311645 /nfs/dbraw/zinc/31/16/45/1440311645.db2.gz NGWKMQOXYRUMFV-UXHICEINSA-N 2 1 343.515 3.226 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@H+](CCC(C)(C)C)C1)c1ccccc1 ZINC001753140634 1440320771 /nfs/dbraw/zinc/32/07/71/1440320771.db2.gz PIMUWOMBCFBASS-MJGOQNOKSA-N 2 1 345.531 3.164 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@@H+](CCC(C)(C)C)C1)c1ccccc1 ZINC001753140634 1440320772 /nfs/dbraw/zinc/32/07/72/1440320772.db2.gz PIMUWOMBCFBASS-MJGOQNOKSA-N 2 1 345.531 3.164 20 0 EGADMP O=C(NCC[N@@H+](CCC1CCCCC1)C1CC1)C12CCC[NH+]1CCC2 ZINC001753157499 1440331851 /nfs/dbraw/zinc/33/18/51/1440331851.db2.gz LXLQREYCEPUQSJ-UHFFFAOYSA-N 2 1 347.547 3.166 20 0 EGADMP CC[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccc(F)cc1 ZINC001753191347 1440337751 /nfs/dbraw/zinc/33/77/51/1440337751.db2.gz XNAPVQAQLPWGLH-GBESFXJTSA-N 2 1 349.494 3.055 20 0 EGADMP CCCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001753316074 1440359818 /nfs/dbraw/zinc/35/98/18/1440359818.db2.gz KWRXBJOJGAODBY-AZUAARDMSA-N 2 1 349.563 3.362 20 0 EGADMP CCCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](C(C)C)C1 ZINC001753316074 1440359819 /nfs/dbraw/zinc/35/98/19/1440359819.db2.gz KWRXBJOJGAODBY-AZUAARDMSA-N 2 1 349.563 3.362 20 0 EGADMP CCCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](C(C)C)C1 ZINC001753316074 1440359820 /nfs/dbraw/zinc/35/98/20/1440359820.db2.gz KWRXBJOJGAODBY-AZUAARDMSA-N 2 1 349.563 3.362 20 0 EGADMP CCCN(C(=O)C[NH+](C)CCC)[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001753319142 1440362001 /nfs/dbraw/zinc/36/20/01/1440362001.db2.gz BBDWLSMXHBWYMJ-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)C[N@H+](C)CCC)[C@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001753319142 1440362002 /nfs/dbraw/zinc/36/20/02/1440362002.db2.gz BBDWLSMXHBWYMJ-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CCC)[C@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001753319142 1440362003 /nfs/dbraw/zinc/36/20/03/1440362003.db2.gz BBDWLSMXHBWYMJ-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)CC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001753322221 1440364287 /nfs/dbraw/zinc/36/42/87/1440364287.db2.gz FSCBXMVRBFUVPU-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001753334210 1440371407 /nfs/dbraw/zinc/37/14/07/1440371407.db2.gz DKXQSYHLSYERAN-SFHVURJKSA-N 2 1 345.531 3.090 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001753337337 1440373257 /nfs/dbraw/zinc/37/32/57/1440373257.db2.gz LYKACFAWMUMTLS-OALUTQOASA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001753337337 1440373258 /nfs/dbraw/zinc/37/32/58/1440373258.db2.gz LYKACFAWMUMTLS-OALUTQOASA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001753337337 1440373259 /nfs/dbraw/zinc/37/32/59/1440373259.db2.gz LYKACFAWMUMTLS-OALUTQOASA-N 2 1 335.536 3.044 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCCC2)C1 ZINC001753355819 1440379896 /nfs/dbraw/zinc/37/98/96/1440379896.db2.gz SZQKUVFBWRHNQA-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CC/C=C/CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001753359542 1440382121 /nfs/dbraw/zinc/38/21/21/1440382121.db2.gz JPXZZLLXDINRFC-GHOSXJJBSA-N 2 1 349.563 3.243 20 0 EGADMP CCCCCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001753377889 1440387396 /nfs/dbraw/zinc/38/73/96/1440387396.db2.gz OTIWNBQACSZADB-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001753377889 1440387397 /nfs/dbraw/zinc/38/73/97/1440387397.db2.gz OTIWNBQACSZADB-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCC1 ZINC001753427418 1440397360 /nfs/dbraw/zinc/39/73/60/1440397360.db2.gz JQODLUZBYWRXDE-PMACEKPBSA-N 2 1 347.547 3.118 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753438489 1440400659 /nfs/dbraw/zinc/40/06/59/1440400659.db2.gz AHJDPJVAJKUQMV-ZWKOTPCHSA-N 2 1 343.515 3.073 20 0 EGADMP CN(C(=O)CC[NH+]1CCCCC1)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001753450365 1440405574 /nfs/dbraw/zinc/40/55/74/1440405574.db2.gz PZZKYUPDDLAWDW-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1(C[NH2+]CC2CCC2)CCCC1 ZINC001753503432 1440423996 /nfs/dbraw/zinc/42/39/96/1440423996.db2.gz GCQNCKICSJDCJL-MRXNPFEDSA-N 2 1 346.519 3.215 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]CC3CCCCC3)CCCC2)CC[N@H+]1C ZINC001753503410 1440423998 /nfs/dbraw/zinc/42/39/98/1440423998.db2.gz FPBGRWNVYVSQDR-RBUKOAKNSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)CCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001753508363 1440425232 /nfs/dbraw/zinc/42/52/32/1440425232.db2.gz HOSJOYCWWQIOJP-RTBURBONSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@@H]([NH2+]CC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC001753510268 1440425707 /nfs/dbraw/zinc/42/57/07/1440425707.db2.gz NUCCDSACJDWNDE-MSOLQXFVSA-N 2 1 343.515 3.108 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@](C)(C[NH2+]CCC2CCCC2)C2CC2)CC[N@H+]1C ZINC001753523854 1440429033 /nfs/dbraw/zinc/42/90/33/1440429033.db2.gz RNQFKODZQJHXRH-DJPFJPOOSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)=CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001753569000 1440438136 /nfs/dbraw/zinc/43/81/36/1440438136.db2.gz KTJDZFOQNHSDHT-LJQANCHMSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H](C)F)CC1 ZINC001753585167 1440441148 /nfs/dbraw/zinc/44/11/48/1440441148.db2.gz WMNJGMFSYPDCTK-TVFCKZIOSA-N 2 1 341.515 3.014 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](CC=C(C)C)CC1 ZINC001753594531 1440444215 /nfs/dbraw/zinc/44/42/15/1440444215.db2.gz DMNDWYPIUNMWBZ-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001753616209 1440449683 /nfs/dbraw/zinc/44/96/83/1440449683.db2.gz AWXVLYZDTPWFRB-IEBWSBKVSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCC2=CCCCC2)C1 ZINC001753709138 1440470212 /nfs/dbraw/zinc/47/02/12/1440470212.db2.gz SJXURMONNKVRPG-UYAOXDASSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)=CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001753759301 1440483762 /nfs/dbraw/zinc/48/37/62/1440483762.db2.gz LBSUUTNGSZPUJN-ICSRJNTNSA-N 2 1 349.563 3.434 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC1CCCCCC1 ZINC001753773936 1440486067 /nfs/dbraw/zinc/48/60/67/1440486067.db2.gz UVBBQLFFFMWBMF-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCCC2CCCC2)C1 ZINC001753788405 1440488577 /nfs/dbraw/zinc/48/85/77/1440488577.db2.gz NWXVYKLTZZFJTQ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+](CCC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1)CC1CCC1 ZINC001753819853 1440495374 /nfs/dbraw/zinc/49/53/74/1440495374.db2.gz GFLAETRTNDXQTG-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1)CC1CCC1 ZINC001753819853 1440495375 /nfs/dbraw/zinc/49/53/75/1440495375.db2.gz GFLAETRTNDXQTG-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1)CC1CCC1 ZINC001753819853 1440495376 /nfs/dbraw/zinc/49/53/76/1440495376.db2.gz GFLAETRTNDXQTG-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C(C)C ZINC001753829964 1440499376 /nfs/dbraw/zinc/49/93/76/1440499376.db2.gz DYODAXLYXSJWKK-ZWKOTPCHSA-N 2 1 337.552 3.027 20 0 EGADMP C[C@@H]1CCC[C@H](CC[N@@H+](C)CCN(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001753856326 1440509159 /nfs/dbraw/zinc/50/91/59/1440509159.db2.gz FFBBMYFAJRIQIQ-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001753889820 1440521802 /nfs/dbraw/zinc/52/18/02/1440521802.db2.gz UTTDOEJXXMNDCJ-WMZOPIPTSA-N 2 1 337.552 3.314 20 0 EGADMP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cs1 ZINC001754179094 1440547924 /nfs/dbraw/zinc/54/79/24/1440547924.db2.gz AIWZMZFCRVMIQW-DUMMIQTOSA-N 2 1 349.544 3.081 20 0 EGADMP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cs1 ZINC001754179097 1440548011 /nfs/dbraw/zinc/54/80/11/1440548011.db2.gz AIWZMZFCRVMIQW-XFHJGTJQSA-N 2 1 349.544 3.081 20 0 EGADMP C[C@@H](C[NH2+]CC1CCCC1)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001754279568 1440562942 /nfs/dbraw/zinc/56/29/42/1440562942.db2.gz ABDPMHIHQOXQSF-LPHOPBHVSA-N 2 1 335.536 3.068 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1c(C)ccc2ccccc21 ZINC001754289721 1440564866 /nfs/dbraw/zinc/56/48/66/1440564866.db2.gz SDJDDLQIGUYYEH-KRWDZBQOSA-N 2 1 341.499 3.084 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001754324243 1440579672 /nfs/dbraw/zinc/57/96/72/1440579672.db2.gz QWTPASSPPIHROV-HKUYNNGSSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001754324243 1440579673 /nfs/dbraw/zinc/57/96/73/1440579673.db2.gz QWTPASSPPIHROV-HKUYNNGSSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001754324243 1440579674 /nfs/dbraw/zinc/57/96/74/1440579674.db2.gz QWTPASSPPIHROV-HKUYNNGSSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001754350824 1440590782 /nfs/dbraw/zinc/59/07/82/1440590782.db2.gz FZKLYHGBYGNYPH-ZWKOTPCHSA-N 2 1 337.552 3.027 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001754374283 1440592795 /nfs/dbraw/zinc/59/27/95/1440592795.db2.gz YXZMFKXEOIDOAP-UYAOXDASSA-N 2 1 345.531 3.369 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001754542283 1440626422 /nfs/dbraw/zinc/62/64/22/1440626422.db2.gz LMKHNEZNMMOVID-UOUNDWCUSA-N 2 1 347.547 3.281 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001754542283 1440626423 /nfs/dbraw/zinc/62/64/23/1440626423.db2.gz LMKHNEZNMMOVID-UOUNDWCUSA-N 2 1 347.547 3.281 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001754542283 1440626424 /nfs/dbraw/zinc/62/64/24/1440626424.db2.gz LMKHNEZNMMOVID-UOUNDWCUSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001754544282 1440626881 /nfs/dbraw/zinc/62/68/81/1440626881.db2.gz NXBMMFCLUGCOJT-OTWHNJEPSA-N 2 1 349.563 3.076 20 0 EGADMP CCCC[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001754547805 1440628429 /nfs/dbraw/zinc/62/84/29/1440628429.db2.gz RIZXMVAKPYAYCX-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCCCC1 ZINC001754547805 1440628430 /nfs/dbraw/zinc/62/84/30/1440628430.db2.gz RIZXMVAKPYAYCX-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCCCC1 ZINC001754547805 1440628431 /nfs/dbraw/zinc/62/84/31/1440628431.db2.gz RIZXMVAKPYAYCX-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@]2(C1)CCC[NH+](C(C)C)C2 ZINC001754558494 1440632826 /nfs/dbraw/zinc/63/28/26/1440632826.db2.gz UGONNYBDNIUDNU-HXUWFJFHSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](C(C)C)C2 ZINC001754558494 1440632827 /nfs/dbraw/zinc/63/28/27/1440632827.db2.gz UGONNYBDNIUDNU-HXUWFJFHSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001754558494 1440632828 /nfs/dbraw/zinc/63/28/28/1440632828.db2.gz UGONNYBDNIUDNU-HXUWFJFHSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001754674775 1440659379 /nfs/dbraw/zinc/65/93/79/1440659379.db2.gz CHEGXKNQEPXGNZ-CTNGQTDRSA-N 2 1 345.531 3.231 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001754683062 1440663359 /nfs/dbraw/zinc/66/33/59/1440663359.db2.gz RFOWRHHTJOFXCS-HXUWFJFHSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccc(C[N@@H+]2CCC[C@@](C)(CNC(=O)CCC[NH+](C)C)C2)cc1 ZINC001754730481 1440678976 /nfs/dbraw/zinc/67/89/76/1440678976.db2.gz WYHOITIULAOZLS-NRFANRHFSA-N 2 1 345.531 3.055 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCC[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001754732113 1440680247 /nfs/dbraw/zinc/68/02/47/1440680247.db2.gz NRWKCESSOLQBMF-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC1CCCCCC1)C2 ZINC001754784448 1440687276 /nfs/dbraw/zinc/68/72/76/1440687276.db2.gz ZYBFRVXMUKRAEV-ZCNNSNEGSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCCCC1)C2 ZINC001754784448 1440687277 /nfs/dbraw/zinc/68/72/77/1440687277.db2.gz ZYBFRVXMUKRAEV-ZCNNSNEGSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCCCC1)C2 ZINC001754784448 1440687278 /nfs/dbraw/zinc/68/72/78/1440687278.db2.gz ZYBFRVXMUKRAEV-ZCNNSNEGSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001754796649 1440689637 /nfs/dbraw/zinc/68/96/37/1440689637.db2.gz FFLYXLVNWORJDG-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCC1 ZINC001754982642 1440721736 /nfs/dbraw/zinc/72/17/36/1440721736.db2.gz LURNJLQUUMAHOZ-QZTJIDSGSA-N 2 1 335.536 3.212 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)CC1)[NH+](C)C ZINC001755028450 1440730215 /nfs/dbraw/zinc/73/02/15/1440730215.db2.gz FHEILJWWVCCSPL-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001755029370 1440730521 /nfs/dbraw/zinc/73/05/21/1440730521.db2.gz WHBDSWMSOILBMG-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001755029374 1440730607 /nfs/dbraw/zinc/73/06/07/1440730607.db2.gz WHBDSWMSOILBMG-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001755031302 1440731523 /nfs/dbraw/zinc/73/15/23/1440731523.db2.gz OOACDUVOPXBSJL-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2)CC1 ZINC001755031302 1440731524 /nfs/dbraw/zinc/73/15/24/1440731524.db2.gz OOACDUVOPXBSJL-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2)CC1 ZINC001755031302 1440731525 /nfs/dbraw/zinc/73/15/25/1440731525.db2.gz OOACDUVOPXBSJL-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001755043345 1440738890 /nfs/dbraw/zinc/73/88/90/1440738890.db2.gz SNIWQPJOKFDENV-ICSRJNTNSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001755043345 1440738891 /nfs/dbraw/zinc/73/88/91/1440738891.db2.gz SNIWQPJOKFDENV-ICSRJNTNSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001755043345 1440738892 /nfs/dbraw/zinc/73/88/92/1440738892.db2.gz SNIWQPJOKFDENV-ICSRJNTNSA-N 2 1 345.531 3.260 20 0 EGADMP CC(C)=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001755129168 1440756857 /nfs/dbraw/zinc/75/68/57/1440756857.db2.gz GOVAIJJVTJVPAA-LJQANCHMSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001755286269 1440802114 /nfs/dbraw/zinc/80/21/14/1440802114.db2.gz SSXHJRPNELXOGN-UHFFFAOYSA-N 2 1 334.508 3.047 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C[NH2+]Cc2ccc(C)cc2)CCCCC1 ZINC001755355738 1440829334 /nfs/dbraw/zinc/82/93/34/1440829334.db2.gz RZTOGXYVSMVZCC-UHFFFAOYSA-N 2 1 345.531 3.246 20 0 EGADMP CC(C)(C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCC1)[NH+]1CCCC1 ZINC001755366282 1440834595 /nfs/dbraw/zinc/83/45/95/1440834595.db2.gz OOSZLHBSYSHAPY-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CC/C=C\CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001755366908 1440835268 /nfs/dbraw/zinc/83/52/68/1440835268.db2.gz AFTLXRAYOGKREW-XOIGSVRCSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001755366908 1440835269 /nfs/dbraw/zinc/83/52/69/1440835269.db2.gz AFTLXRAYOGKREW-XOIGSVRCSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001755366908 1440835270 /nfs/dbraw/zinc/83/52/70/1440835270.db2.gz AFTLXRAYOGKREW-XOIGSVRCSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001755454277 1440854986 /nfs/dbraw/zinc/85/49/86/1440854986.db2.gz ZBGPLLHKNMHKBX-PXYFQHJDSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)C[C@H]2C1 ZINC001755454277 1440854987 /nfs/dbraw/zinc/85/49/87/1440854987.db2.gz ZBGPLLHKNMHKBX-PXYFQHJDSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@H]2C1 ZINC001755454277 1440854988 /nfs/dbraw/zinc/85/49/88/1440854988.db2.gz ZBGPLLHKNMHKBX-PXYFQHJDSA-N 2 1 347.547 3.044 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCCC(C)(C)C)C2)CC[N@H+]1C ZINC001755470937 1440858832 /nfs/dbraw/zinc/85/88/32/1440858832.db2.gz GOSSACOABWCACD-XLAORIBOSA-N 2 1 337.552 3.027 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001755480931 1440860081 /nfs/dbraw/zinc/86/00/81/1440860081.db2.gz ROMKBACYSDIPSM-SXWQNMERSA-N 2 1 347.547 3.234 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC([N@@H+](C)CCCC(C)(C)C)CC2)CCC1 ZINC001755530864 1440867425 /nfs/dbraw/zinc/86/74/25/1440867425.db2.gz ROCILZDVYRRYAM-UHFFFAOYSA-N 2 1 337.552 3.220 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)Cc2ccc(C)cc2C)CC1 ZINC001755535359 1440869135 /nfs/dbraw/zinc/86/91/35/1440869135.db2.gz HCWJEOJSDQYBQO-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)Cc2ccc(C)cc2C)CC1 ZINC001755535359 1440869136 /nfs/dbraw/zinc/86/91/36/1440869136.db2.gz HCWJEOJSDQYBQO-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)Cc2ccc(C)cc2C)CC1 ZINC001755535359 1440869137 /nfs/dbraw/zinc/86/91/37/1440869137.db2.gz HCWJEOJSDQYBQO-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)[C@@H]1C ZINC001755662787 1440893014 /nfs/dbraw/zinc/89/30/14/1440893014.db2.gz HDMXEHLVXLGLBM-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCc1ccccc1C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001755722763 1440908218 /nfs/dbraw/zinc/90/82/18/1440908218.db2.gz SYOZJAUVZCMMDF-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001755722763 1440908219 /nfs/dbraw/zinc/90/82/19/1440908219.db2.gz SYOZJAUVZCMMDF-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001755722763 1440908220 /nfs/dbraw/zinc/90/82/20/1440908220.db2.gz SYOZJAUVZCMMDF-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001755757580 1440914312 /nfs/dbraw/zinc/91/43/12/1440914312.db2.gz NVUIZFYSNVHFJA-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C(C)(C)C ZINC001755839890 1440931240 /nfs/dbraw/zinc/93/12/40/1440931240.db2.gz NHBMCGFQWGVONE-QZTJIDSGSA-N 2 1 339.568 3.418 20 0 EGADMP C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001755850894 1440934862 /nfs/dbraw/zinc/93/48/62/1440934862.db2.gz MNNJKNPJSPXLNF-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cccc(-c2nn[nH]n2)c1 ZINC000824584772 946832676 /nfs/dbraw/zinc/83/26/76/946832676.db2.gz HAPFTPWIMHLASH-CVEARBPZSA-N 2 1 342.491 3.172 20 0 EGADMP CCOC(=O)CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000368375729 168348514 /nfs/dbraw/zinc/34/85/14/168348514.db2.gz XCCHITXVAIZGRP-MJGOQNOKSA-N 2 1 332.488 3.220 20 0 EGADMP CCOC(=O)CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000368375729 168348517 /nfs/dbraw/zinc/34/85/17/168348517.db2.gz XCCHITXVAIZGRP-MJGOQNOKSA-N 2 1 332.488 3.220 20 0 EGADMP COc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1OCc1cccnc1 ZINC000065981508 215001919 /nfs/dbraw/zinc/00/19/19/215001919.db2.gz NAFKXNSZAJJYRR-MRXNPFEDSA-N 2 1 343.471 3.099 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000181759669 234312565 /nfs/dbraw/zinc/31/25/65/234312565.db2.gz DWFILQNUDSQDBR-GFCCVEGCSA-N 2 1 329.473 3.204 20 0 EGADMP Cc1cncc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000184300109 235360126 /nfs/dbraw/zinc/36/01/26/235360126.db2.gz GARDEFKBVJJMGF-QZTJIDSGSA-N 2 1 339.483 3.462 20 0 EGADMP Cc1cncc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000184300109 235360129 /nfs/dbraw/zinc/36/01/29/235360129.db2.gz GARDEFKBVJJMGF-QZTJIDSGSA-N 2 1 339.483 3.462 20 0 EGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccccc2)C2CCCC2)C1 ZINC000359369575 283319312 /nfs/dbraw/zinc/31/93/12/283319312.db2.gz HRDXGCAJTNDDTH-WOJBJXKFSA-N 2 1 343.515 3.095 20 0 EGADMP C[C@H]1C[C@H](NC2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268775872 291145336 /nfs/dbraw/zinc/14/53/36/291145336.db2.gz VTUWREHBNUHQLY-FXAWDEMLSA-N 2 1 327.516 3.256 20 0 EGADMP Fc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Br ZINC000250732714 201181477 /nfs/dbraw/zinc/18/14/77/201181477.db2.gz AEROFFWDZBXALS-OLZOCXBDSA-N 2 1 327.241 3.305 20 0 EGADMP Fc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Br ZINC000250732714 201181481 /nfs/dbraw/zinc/18/14/81/201181481.db2.gz AEROFFWDZBXALS-OLZOCXBDSA-N 2 1 327.241 3.305 20 0 EGADMP CC(C)n1nccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000280890813 201325658 /nfs/dbraw/zinc/32/56/58/201325658.db2.gz NUXGSBAOKMNZAP-PXNSSMCTSA-N 2 1 326.488 3.464 20 0 EGADMP CC(C)n1nccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000280890813 201325660 /nfs/dbraw/zinc/32/56/60/201325660.db2.gz NUXGSBAOKMNZAP-PXNSSMCTSA-N 2 1 326.488 3.464 20 0 EGADMP C[NH+](C)CCC1CC[NH+]([C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000111684895 204366002 /nfs/dbraw/zinc/36/60/02/204366002.db2.gz CHESJTCOMAVBDV-GOSISDBHSA-N 2 1 349.906 3.109 20 0 EGADMP COc1cc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc(OC)c1OC ZINC000121451254 204801406 /nfs/dbraw/zinc/80/14/06/204801406.db2.gz KUPDLRBGTHCATK-KGLIPLIRSA-N 2 1 347.459 3.204 20 0 EGADMP CCC[C@@H](CC)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000125242313 205001982 /nfs/dbraw/zinc/00/19/82/205001982.db2.gz ANDGFTKRTIMZFX-GOSISDBHSA-N 2 1 347.503 3.016 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000125804877 205026722 /nfs/dbraw/zinc/02/67/22/205026722.db2.gz WUEDDZBMTUUWDE-RBUKOAKNSA-N 3 1 347.547 3.398 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000125804877 205026727 /nfs/dbraw/zinc/02/67/27/205026727.db2.gz WUEDDZBMTUUWDE-RBUKOAKNSA-N 2 1 347.547 3.398 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000125804877 205026732 /nfs/dbraw/zinc/02/67/32/205026732.db2.gz WUEDDZBMTUUWDE-RBUKOAKNSA-N 2 1 347.547 3.398 20 0 EGADMP CC[N@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCSCC3)c2)[C@H](C)C1 ZINC000131732652 205301234 /nfs/dbraw/zinc/30/12/34/205301234.db2.gz IWVSSZVDIFHGLC-VQIMIIECSA-N 2 1 333.545 3.378 20 0 EGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132833119 205342957 /nfs/dbraw/zinc/34/29/57/205342957.db2.gz JDXUKGHBLQQVCD-PXNSSMCTSA-N 2 1 344.499 3.299 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCO[C@H](C4CC4)C3)CC2)cc1 ZINC000155151127 205988390 /nfs/dbraw/zinc/98/83/90/205988390.db2.gz QBWCHBICJNBJDP-SFTDATJTSA-N 2 1 346.490 3.380 20 0 EGADMP CC(C)N(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000157457404 206136689 /nfs/dbraw/zinc/13/66/89/206136689.db2.gz HILOLZRHSFGDAA-UHFFFAOYSA-N 2 1 348.535 3.008 20 0 EGADMP COc1cccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000158586574 206199650 /nfs/dbraw/zinc/19/96/50/206199650.db2.gz RFDICSRJIVOUIS-OXQOHEQNSA-N 2 1 330.472 3.023 20 0 EGADMP COc1cccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000158586574 206199654 /nfs/dbraw/zinc/19/96/54/206199654.db2.gz RFDICSRJIVOUIS-OXQOHEQNSA-N 2 1 330.472 3.023 20 0 EGADMP COc1cccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000158586574 206199658 /nfs/dbraw/zinc/19/96/58/206199658.db2.gz RFDICSRJIVOUIS-OXQOHEQNSA-N 2 1 330.472 3.023 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000158668321 206203746 /nfs/dbraw/zinc/20/37/46/206203746.db2.gz UUXFQHMQHWMHIL-OIMWQHCXSA-N 2 1 336.545 3.443 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000158668321 206203750 /nfs/dbraw/zinc/20/37/50/206203750.db2.gz UUXFQHMQHWMHIL-OIMWQHCXSA-N 2 1 336.545 3.443 20 0 EGADMP COCCCN1CCC([NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000159122025 206226679 /nfs/dbraw/zinc/22/66/79/206226679.db2.gz VOVBSDIEUOEZMY-LBPRGKRZSA-N 2 1 330.394 3.255 20 0 EGADMP CC[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000159256531 206233788 /nfs/dbraw/zinc/23/37/88/206233788.db2.gz BKTDXFSZVZZHMO-UHFFFAOYSA-N 2 1 349.906 3.019 20 0 EGADMP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000266515103 248340633 /nfs/dbraw/zinc/34/06/33/248340633.db2.gz YQFBWPDSPOMAQP-JOCHJYFZSA-N 2 1 338.495 3.325 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(-c2ccccc2)no1 ZINC000378251436 169091914 /nfs/dbraw/zinc/09/19/14/169091914.db2.gz WNWLILHJXVBYNG-NSISKUIASA-N 2 1 341.455 3.025 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(-c2ccccc2)no1 ZINC000378251436 169091916 /nfs/dbraw/zinc/09/19/16/169091916.db2.gz WNWLILHJXVBYNG-NSISKUIASA-N 2 1 341.455 3.025 20 0 EGADMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cc4ccccc4s3)CC2)C1 ZINC000378357720 169107301 /nfs/dbraw/zinc/10/73/01/169107301.db2.gz WQMOBBGXRRDHQF-KRWDZBQOSA-N 2 1 329.513 3.113 20 0 EGADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cc4ccccc4s3)CC2)C1 ZINC000378357720 169107302 /nfs/dbraw/zinc/10/73/02/169107302.db2.gz WQMOBBGXRRDHQF-KRWDZBQOSA-N 2 1 329.513 3.113 20 0 EGADMP Fc1ccc(C2=CC[C@H]([NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC000378527642 169135788 /nfs/dbraw/zinc/13/57/88/169135788.db2.gz DSHNEKXLBFICCP-ZCNNSNEGSA-N 2 1 330.447 3.214 20 0 EGADMP Fc1ccc(C2=CC[C@H]([NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC000378527642 169135789 /nfs/dbraw/zinc/13/57/89/169135789.db2.gz DSHNEKXLBFICCP-ZCNNSNEGSA-N 2 1 330.447 3.214 20 0 EGADMP C[NH+](C)[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)C1CCCCC1 ZINC000378580134 169142303 /nfs/dbraw/zinc/14/23/03/169142303.db2.gz KREJKFXDQOBMRW-KRWDZBQOSA-N 2 1 336.549 3.212 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(CO)o3)cc2)C1 ZINC000174269854 207004583 /nfs/dbraw/zinc/00/45/83/207004583.db2.gz IICDZUNMAOJKSF-INIZCTEOSA-N 2 1 328.456 3.294 20 0 EGADMP CCN(Cc1c(C)nn(C)c1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174485951 207022926 /nfs/dbraw/zinc/02/29/26/207022926.db2.gz WAODEJUEXAWBBJ-HXUWFJFHSA-N 2 1 340.515 3.381 20 0 EGADMP CC[N@@H+](Cc1c(C)nn(C)c1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174485951 207022929 /nfs/dbraw/zinc/02/29/29/207022929.db2.gz WAODEJUEXAWBBJ-HXUWFJFHSA-N 2 1 340.515 3.381 20 0 EGADMP CC[N@H+](Cc1c(C)nn(C)c1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174485951 207022934 /nfs/dbraw/zinc/02/29/34/207022934.db2.gz WAODEJUEXAWBBJ-HXUWFJFHSA-N 2 1 340.515 3.381 20 0 EGADMP CC[NH+](Cc1c(C)nn(C)c1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174485951 207022939 /nfs/dbraw/zinc/02/29/39/207022939.db2.gz WAODEJUEXAWBBJ-HXUWFJFHSA-N 2 1 340.515 3.381 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2CC[NH+](C)CC2)c1 ZINC000174678987 207045241 /nfs/dbraw/zinc/04/52/41/207045241.db2.gz WBKHNQMHKATWRR-UHFFFAOYSA-N 2 1 340.471 3.335 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000174956047 207075225 /nfs/dbraw/zinc/07/52/25/207075225.db2.gz CGCCFKKVNKUYEM-HNNXBMFYSA-N 2 1 337.895 3.332 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000174956047 207075230 /nfs/dbraw/zinc/07/52/30/207075230.db2.gz CGCCFKKVNKUYEM-HNNXBMFYSA-N 2 1 337.895 3.332 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000174956047 207075232 /nfs/dbraw/zinc/07/52/32/207075232.db2.gz CGCCFKKVNKUYEM-HNNXBMFYSA-N 2 1 337.895 3.332 20 0 EGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374230 207328841 /nfs/dbraw/zinc/32/88/41/207328841.db2.gz ZISUBIZYNZDIIA-CQSZACIVSA-N 2 1 341.902 3.498 20 0 EGADMP CCOCCOCc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000268818089 252268722 /nfs/dbraw/zinc/26/87/22/252268722.db2.gz NBNGTRAQZPNUNX-MBOZVWFJSA-N 2 1 334.504 3.058 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000268806934 252260244 /nfs/dbraw/zinc/26/02/44/252260244.db2.gz JIVOGDJOTLAQIC-NFAWXSAZSA-N 2 1 344.425 3.221 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000228654073 285098601 /nfs/dbraw/zinc/09/86/01/285098601.db2.gz JMUIHTSHYOSONL-GOSISDBHSA-N 2 1 345.531 3.379 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000228654073 285098602 /nfs/dbraw/zinc/09/86/02/285098602.db2.gz JMUIHTSHYOSONL-GOSISDBHSA-N 2 1 345.531 3.379 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000228654073 285098603 /nfs/dbraw/zinc/09/86/03/285098603.db2.gz JMUIHTSHYOSONL-GOSISDBHSA-N 2 1 345.531 3.379 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)C)cc1 ZINC000337583741 285249400 /nfs/dbraw/zinc/24/94/00/285249400.db2.gz QBIGKRWQVVUNFR-HXUWFJFHSA-N 2 1 345.531 3.298 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000095422258 285289793 /nfs/dbraw/zinc/28/97/93/285289793.db2.gz MQIZFJNWHJYANY-IEBWSBKVSA-N 2 1 344.499 3.259 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2([NH3+])CCCCC2)cc1 ZINC000237523926 141006350 /nfs/dbraw/zinc/00/63/50/141006350.db2.gz KAOOLWXGFOWPFO-KRWDZBQOSA-N 2 1 343.515 3.339 20 0 EGADMP C[C@@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000246505063 141013388 /nfs/dbraw/zinc/01/33/88/141013388.db2.gz QDZFQHDXTQIXSJ-SFNKJDCFSA-N 2 1 345.531 3.195 20 0 EGADMP FC(F)(F)c1ccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000246542589 141014958 /nfs/dbraw/zinc/01/49/58/141014958.db2.gz LFPCPGLUSRQGMD-CABCVRRESA-N 2 1 328.378 3.301 20 0 EGADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246570834 141015864 /nfs/dbraw/zinc/01/58/64/141015864.db2.gz LJPLLMZCDFDARJ-FXAWDEMLSA-N 2 1 328.456 3.061 20 0 EGADMP CC(=O)Oc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246570834 141015866 /nfs/dbraw/zinc/01/58/66/141015866.db2.gz LJPLLMZCDFDARJ-FXAWDEMLSA-N 2 1 328.456 3.061 20 0 EGADMP CC(=O)Oc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246570834 141015869 /nfs/dbraw/zinc/01/58/69/141015869.db2.gz LJPLLMZCDFDARJ-FXAWDEMLSA-N 2 1 328.456 3.061 20 0 EGADMP CC[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccn(C)n1 ZINC000342811757 141150493 /nfs/dbraw/zinc/15/04/93/141150493.db2.gz WPGVLRYIVYLZTE-LJQANCHMSA-N 2 1 342.487 3.134 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)c1ccccc1 ZINC000346629420 141207616 /nfs/dbraw/zinc/20/76/16/141207616.db2.gz VVYHMDHZHHTGFX-AZUAARDMSA-N 2 1 345.531 3.055 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358011650 141379032 /nfs/dbraw/zinc/37/90/32/141379032.db2.gz GQPQIXKINPBXCB-IEZWGBDMSA-N 2 1 329.488 3.388 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358011650 141379034 /nfs/dbraw/zinc/37/90/34/141379034.db2.gz GQPQIXKINPBXCB-IEZWGBDMSA-N 2 1 329.488 3.388 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](Nc3cc[nH+]cc3C)C2)cc(OC)c1 ZINC000192676667 144177483 /nfs/dbraw/zinc/17/74/83/144177483.db2.gz FRTGZXXSNKDPJH-MRXNPFEDSA-N 2 1 327.428 3.094 20 0 EGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccccc2-c2ccnn2C)CC1 ZINC000351485347 144267873 /nfs/dbraw/zinc/26/78/73/144267873.db2.gz ZNPDFCBSSRNHNU-UHFFFAOYSA-N 2 1 349.482 3.275 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCSCC[C@@H]2C)CC1 ZINC000361645781 144342288 /nfs/dbraw/zinc/34/22/88/144342288.db2.gz TVMNTWRGCQYWBB-KRWDZBQOSA-N 2 1 333.545 3.156 20 0 EGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000121757297 152369104 /nfs/dbraw/zinc/36/91/04/152369104.db2.gz RGRLBIAMLHBNBE-UHFFFAOYSA-N 2 1 335.455 3.061 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc(C)cs2)CC1 ZINC000122224707 152397990 /nfs/dbraw/zinc/39/79/90/152397990.db2.gz XDOJCAVTULJDSX-UHFFFAOYSA-N 2 1 325.522 3.022 20 0 EGADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1F ZINC000192714210 153256213 /nfs/dbraw/zinc/25/62/13/153256213.db2.gz ZNHHESUARXLSGH-KRWDZBQOSA-N 2 1 328.431 3.446 20 0 EGADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000192714210 153256219 /nfs/dbraw/zinc/25/62/19/153256219.db2.gz ZNHHESUARXLSGH-KRWDZBQOSA-N 2 1 328.431 3.446 20 0 EGADMP COc1ccc(C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000192839645 153264215 /nfs/dbraw/zinc/26/42/15/153264215.db2.gz GTFTYYAALXEYFR-ALOPSCKCSA-N 2 1 332.488 3.196 20 0 EGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c(Cl)c1 ZINC000414856126 309105731 /nfs/dbraw/zinc/10/57/31/309105731.db2.gz YHYCLOGCEKFBTO-KGLIPLIRSA-N 2 1 325.884 3.329 20 0 EGADMP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000305124936 154084758 /nfs/dbraw/zinc/08/47/58/154084758.db2.gz OIGSOKLKJIBPLI-HXUWFJFHSA-N 2 1 346.515 3.460 20 0 EGADMP [NH3+]CCCOC1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000322845891 154168339 /nfs/dbraw/zinc/16/83/39/154168339.db2.gz MSLAYTTXOPXTJF-UHFFFAOYSA-N 2 1 334.357 3.174 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000337382132 154322684 /nfs/dbraw/zinc/32/26/84/154322684.db2.gz JQEAFFDOXHVLMO-HOTGVXAUSA-N 2 1 332.488 3.017 20 0 EGADMP Cc1ccc(-n2ccnc2)c(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000345507004 156130034 /nfs/dbraw/zinc/13/00/34/156130034.db2.gz MFRCWAULXUZWMN-CALCHBBNSA-N 2 1 340.471 3.173 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346820730 156150578 /nfs/dbraw/zinc/15/05/78/156150578.db2.gz IGXMLMOBTZJNEC-CEWLAPEOSA-N 2 1 338.499 3.026 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346820732 156151078 /nfs/dbraw/zinc/15/10/78/156151078.db2.gz IGXMLMOBTZJNEC-SESVDKBCSA-N 2 1 338.499 3.026 20 0 EGADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(-c2ccccc2Cl)n1 ZINC000346823011 156152641 /nfs/dbraw/zinc/15/26/41/156152641.db2.gz JTGXXJFQEMWRMO-QANKJYHBSA-N 2 1 344.890 3.300 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346840137 156160996 /nfs/dbraw/zinc/16/09/96/156160996.db2.gz ZMUSDABFSAAMRT-GOSISDBHSA-N 2 1 326.488 3.229 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346840137 156160999 /nfs/dbraw/zinc/16/09/99/156160999.db2.gz ZMUSDABFSAAMRT-GOSISDBHSA-N 2 1 326.488 3.229 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c(Cl)cccc3N3CCCC3)C[C@H]21 ZINC000346851304 156165120 /nfs/dbraw/zinc/16/51/20/156165120.db2.gz VUGLJNQSPQBZOF-HDMKZQKVSA-N 2 1 333.907 3.499 20 0 EGADMP CCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000346864676 156170408 /nfs/dbraw/zinc/17/04/08/156170408.db2.gz YXMZATCYESOCJR-DZKIICNBSA-N 2 1 338.879 3.307 20 0 EGADMP CCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000346864676 156170412 /nfs/dbraw/zinc/17/04/12/156170412.db2.gz YXMZATCYESOCJR-DZKIICNBSA-N 2 1 338.879 3.307 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000347004063 156239738 /nfs/dbraw/zinc/23/97/38/156239738.db2.gz NFIAUZRIWNXQQX-UHFFFAOYSA-N 2 1 345.531 3.225 20 0 EGADMP CN(CC[N@@H+](C)Cc1cc2cc(F)ccc2o1)C1CC[NH+](C)CC1 ZINC000349058916 156336480 /nfs/dbraw/zinc/33/64/80/156336480.db2.gz AEZUZHGQLXFJEF-UHFFFAOYSA-N 2 1 333.451 3.030 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000368708445 157270203 /nfs/dbraw/zinc/27/02/03/157270203.db2.gz UNFADPPWJNYVED-UHFFFAOYSA-N 2 1 343.515 3.229 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000368714061 157270975 /nfs/dbraw/zinc/27/09/75/157270975.db2.gz HCKKFBYKPQMNJB-LJQANCHMSA-N 2 1 334.479 3.070 20 0 EGADMP COCCCOc1cccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000093660225 162019870 /nfs/dbraw/zinc/01/98/70/162019870.db2.gz CDLXILMTAPGDIT-LJQANCHMSA-N 2 1 334.504 3.408 20 0 EGADMP COCCCOc1cccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000093660225 162019872 /nfs/dbraw/zinc/01/98/72/162019872.db2.gz CDLXILMTAPGDIT-LJQANCHMSA-N 2 1 334.504 3.408 20 0 EGADMP COCCCOc1cccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000093660225 162019875 /nfs/dbraw/zinc/01/98/75/162019875.db2.gz CDLXILMTAPGDIT-LJQANCHMSA-N 2 1 334.504 3.408 20 0 EGADMP COCCCOc1cccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000093660225 162019876 /nfs/dbraw/zinc/01/98/76/162019876.db2.gz CDLXILMTAPGDIT-LJQANCHMSA-N 2 1 334.504 3.408 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000093792678 162028583 /nfs/dbraw/zinc/02/85/83/162028583.db2.gz DHIWXUQYFYOQBM-ICSRJNTNSA-N 2 1 332.488 3.018 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000093792678 162028590 /nfs/dbraw/zinc/02/85/90/162028590.db2.gz DHIWXUQYFYOQBM-ICSRJNTNSA-N 2 1 332.488 3.018 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000093792678 162028595 /nfs/dbraw/zinc/02/85/95/162028595.db2.gz DHIWXUQYFYOQBM-ICSRJNTNSA-N 2 1 332.488 3.018 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000093792678 162028598 /nfs/dbraw/zinc/02/85/98/162028598.db2.gz DHIWXUQYFYOQBM-ICSRJNTNSA-N 2 1 332.488 3.018 20 0 EGADMP Cc1nc(C[NH+]2CCC(C(=O)Nc3ccnc(C)c3)CC2)cs1 ZINC000112298626 162171069 /nfs/dbraw/zinc/17/10/69/162171069.db2.gz YEGFAKPQOXSXMJ-UHFFFAOYSA-N 2 1 330.457 3.006 20 0 EGADMP C[N@H+](CCC(=O)NC1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481220 162233447 /nfs/dbraw/zinc/23/34/47/162233447.db2.gz ODTCVLKNZXAFPF-UHFFFAOYSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@@H+](CCC(=O)NC1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481220 162233449 /nfs/dbraw/zinc/23/34/49/162233449.db2.gz ODTCVLKNZXAFPF-UHFFFAOYSA-N 2 1 343.515 3.032 20 0 EGADMP Cn1cncc1C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126413314 162302608 /nfs/dbraw/zinc/30/26/08/162302608.db2.gz FQMZLOUNRCEACR-ZDUSSCGKSA-N 2 1 326.227 3.380 20 0 EGADMP Cn1cncc1CN1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126413314 162302612 /nfs/dbraw/zinc/30/26/12/162302612.db2.gz FQMZLOUNRCEACR-ZDUSSCGKSA-N 2 1 326.227 3.380 20 0 EGADMP C[N@@H+](CCc1cccc(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)c1)C1CC1 ZINC000128676883 162331156 /nfs/dbraw/zinc/33/11/56/162331156.db2.gz WCDZKEBZPPTADK-FQEVSTJZSA-N 2 1 341.499 3.136 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000248824858 163036465 /nfs/dbraw/zinc/03/64/65/163036465.db2.gz ZWVKHCAQHBOWME-MXEMCNAFSA-N 2 1 340.511 3.098 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000249158718 163059894 /nfs/dbraw/zinc/05/98/94/163059894.db2.gz XWZXAGSAVHBJDT-FUHWJXTLSA-N 2 1 327.476 3.138 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000249158718 163059897 /nfs/dbraw/zinc/05/98/97/163059897.db2.gz XWZXAGSAVHBJDT-FUHWJXTLSA-N 2 1 327.476 3.138 20 0 EGADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC000354329581 166003843 /nfs/dbraw/zinc/00/38/43/166003843.db2.gz SDCRDABYKGJOED-LJQANCHMSA-N 2 1 331.504 3.019 20 0 EGADMP CCc1nc(NC[C@H](c2ccc(SC)cc2)[NH+](C)C)cc(C)[nH+]1 ZINC000338835199 163359537 /nfs/dbraw/zinc/35/95/37/163359537.db2.gz UEUDRGLVXPTZBG-MRXNPFEDSA-N 2 1 330.501 3.206 20 0 EGADMP CC(C)Oc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000343722647 164020160 /nfs/dbraw/zinc/02/01/60/164020160.db2.gz XHCVLIUNJMYYKR-SFHVURJKSA-N 2 1 345.531 3.074 20 0 EGADMP CN(CCC[N@@H+](C)Cc1ccc(Cl)c2cccnc12)CC[NH+](C)C ZINC000344012373 164082407 /nfs/dbraw/zinc/08/24/07/164082407.db2.gz BTMCGFFCHNENCT-UHFFFAOYSA-N 2 1 348.922 3.204 20 0 EGADMP Cc1cc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)sc1Br ZINC000344096808 164102232 /nfs/dbraw/zinc/10/22/32/164102232.db2.gz UBMRLHRTXDAHQU-LLVKDONJSA-N 2 1 340.290 3.368 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1(CC)CC ZINC000344163283 164117351 /nfs/dbraw/zinc/11/73/51/164117351.db2.gz HIKYDNFSCQJVEF-ZWKOTPCHSA-N 2 1 338.536 3.205 20 0 EGADMP Fc1ccc2c(c1)[C@@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CCC2 ZINC000344181774 164121976 /nfs/dbraw/zinc/12/19/76/164121976.db2.gz ZRBAFWPYMWTYNE-IBGZPJMESA-N 2 1 332.463 3.438 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCCc3nccs3)sc2C1 ZINC000344204760 164126464 /nfs/dbraw/zinc/12/64/64/164126464.db2.gz DXHJXYPEDIBHJL-UHFFFAOYSA-N 2 1 336.530 3.089 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CCCc3nccs3)sc2C1 ZINC000344204760 164126468 /nfs/dbraw/zinc/12/64/68/164126468.db2.gz DXHJXYPEDIBHJL-UHFFFAOYSA-N 2 1 336.530 3.089 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C)[NH+](CC)C[C@@H]2C)cc1)C(C)C ZINC000345915441 164293625 /nfs/dbraw/zinc/29/36/25/164293625.db2.gz YMXNRKRAUDGXPE-ROUUACIJSA-N 2 1 345.531 3.472 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC000346347987 164372403 /nfs/dbraw/zinc/37/24/03/164372403.db2.gz BUOXLPOCQBRACW-OAHLLOKOSA-N 2 1 340.471 3.029 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000351620691 165104332 /nfs/dbraw/zinc/10/43/32/165104332.db2.gz QRIYLRCZGVIXGJ-IEBWSBKVSA-N 2 1 329.488 3.212 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000351620691 165104334 /nfs/dbraw/zinc/10/43/34/165104334.db2.gz QRIYLRCZGVIXGJ-IEBWSBKVSA-N 2 1 329.488 3.212 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000351620691 165104340 /nfs/dbraw/zinc/10/43/40/165104340.db2.gz QRIYLRCZGVIXGJ-IEBWSBKVSA-N 2 1 329.488 3.212 20 0 EGADMP CCC1(Cc2ccccc2)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000352365747 165365590 /nfs/dbraw/zinc/36/55/90/165365590.db2.gz WJGQCFLSKPXOIH-FQEVSTJZSA-N 2 1 330.516 3.176 20 0 EGADMP CCC1(Cc2ccccc2)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000352365747 165365592 /nfs/dbraw/zinc/36/55/92/165365592.db2.gz WJGQCFLSKPXOIH-FQEVSTJZSA-N 2 1 330.516 3.176 20 0 EGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCC3CCCC3)CC2)C[C@@H](C)O1 ZINC000358871979 166990171 /nfs/dbraw/zinc/99/01/71/166990171.db2.gz LGBGAWOOJLKNIS-QZTJIDSGSA-N 2 1 338.536 3.157 20 0 EGADMP CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(C[N@@H+](CC)CCC)cc1 ZINC000359233165 167102581 /nfs/dbraw/zinc/10/25/81/167102581.db2.gz JUCDXRBCSVAXEK-LJQANCHMSA-N 2 1 331.504 3.133 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000359471000 167165707 /nfs/dbraw/zinc/16/57/07/167165707.db2.gz KXDAWVGKSBVFOC-YQVWRLOYSA-N 2 1 348.535 3.097 20 0 EGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccco1 ZINC000359567342 167196553 /nfs/dbraw/zinc/19/65/53/167196553.db2.gz WZZDMWGTYVZIHT-RYQLBKOJSA-N 2 1 347.503 3.232 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366219883 168095078 /nfs/dbraw/zinc/09/50/78/168095078.db2.gz CEIHWMFDCYKZFV-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP C[C@@H](NCc1cnc2n1CCCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367436619 168224821 /nfs/dbraw/zinc/22/48/21/168224821.db2.gz GNRYQWPDGKTMBY-MJGOQNOKSA-N 3 1 338.499 3.220 20 0 EGADMP C[C@@H]([NH2+]Cc1cnc2n1CCCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367436619 168224822 /nfs/dbraw/zinc/22/48/22/168224822.db2.gz GNRYQWPDGKTMBY-MJGOQNOKSA-N 3 1 338.499 3.220 20 0 EGADMP C[C@@H]([NH2+]Cc1cnc2n1CCCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367436619 168224825 /nfs/dbraw/zinc/22/48/25/168224825.db2.gz GNRYQWPDGKTMBY-MJGOQNOKSA-N 2 1 338.499 3.220 20 0 EGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000367681534 168258049 /nfs/dbraw/zinc/25/80/49/168258049.db2.gz CQSQVMBHLNVDHX-SFHVURJKSA-N 2 1 332.536 3.419 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2c[nH]c3nccnc23)cc1 ZINC000367922242 168284332 /nfs/dbraw/zinc/28/43/32/168284332.db2.gz CDCKRASKSJPVFI-CYBMUJFWSA-N 2 1 332.411 3.254 20 0 EGADMP Cn1cncc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000368091045 168309200 /nfs/dbraw/zinc/30/92/00/168309200.db2.gz VFAKGGAHOIEINJ-HMXCVIKNSA-N 2 1 338.499 3.201 20 0 EGADMP COCCC[NH+]1CCC(Nc2cc(C)[nH+]c3c(OC)cccc23)CC1 ZINC000124192353 222388249 /nfs/dbraw/zinc/38/82/49/222388249.db2.gz MEYBJYABHJDJGS-UHFFFAOYSA-N 2 1 343.471 3.465 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000173902963 265009757 /nfs/dbraw/zinc/00/97/57/265009757.db2.gz BKUKTLITFVHSJW-AWEZNQCLSA-N 2 1 330.394 3.358 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000173902963 265009758 /nfs/dbraw/zinc/00/97/58/265009758.db2.gz BKUKTLITFVHSJW-AWEZNQCLSA-N 2 1 330.394 3.358 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000173902963 265009762 /nfs/dbraw/zinc/00/97/62/265009762.db2.gz BKUKTLITFVHSJW-AWEZNQCLSA-N 2 1 330.394 3.358 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000173902963 265009766 /nfs/dbraw/zinc/00/97/66/265009766.db2.gz BKUKTLITFVHSJW-AWEZNQCLSA-N 2 1 330.394 3.358 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C/C=C/c3ccc(Cl)cc3)C2)CC1 ZINC000179475124 265379794 /nfs/dbraw/zinc/37/97/94/265379794.db2.gz CZNSGDWKDCKPLC-RTLBZRNLSA-N 2 1 333.907 3.065 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[N@H+]1C ZINC000230975526 266205222 /nfs/dbraw/zinc/20/52/22/266205222.db2.gz ZLTUMOJZTDZEFX-HUUCEWRRSA-N 2 1 327.513 3.094 20 0 EGADMP C[C@@H]([NH2+]Cc1cn(C)nc1C(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274461643 267241094 /nfs/dbraw/zinc/24/10/94/267241094.db2.gz HRMCCLTUATXORC-ZBFHGGJFSA-N 2 1 348.441 3.358 20 0 EGADMP C[C@@H]([NH2+]Cc1cn(C)nc1C(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274461643 267241097 /nfs/dbraw/zinc/24/10/97/267241097.db2.gz HRMCCLTUATXORC-ZBFHGGJFSA-N 2 1 348.441 3.358 20 0 EGADMP C[C@H]([NH2+]Cc1cn(C)nc1C(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274461638 267242079 /nfs/dbraw/zinc/24/20/79/267242079.db2.gz HRMCCLTUATXORC-GOEBONIOSA-N 2 1 348.441 3.358 20 0 EGADMP C[C@H]([NH2+]Cc1cn(C)nc1C(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274461638 267242081 /nfs/dbraw/zinc/24/20/81/267242081.db2.gz HRMCCLTUATXORC-GOEBONIOSA-N 2 1 348.441 3.358 20 0 EGADMP Cc1n[nH]cc1CCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274897682 267302972 /nfs/dbraw/zinc/30/29/72/267302972.db2.gz KPLKCKOKJDVBST-OXQOHEQNSA-N 2 1 326.488 3.151 20 0 EGADMP C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274965997 267312597 /nfs/dbraw/zinc/31/25/97/267312597.db2.gz XGRDQEYUWIZGAP-XAEMIUIASA-N 2 1 336.545 3.034 20 0 EGADMP C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274965997 267312599 /nfs/dbraw/zinc/31/25/99/267312599.db2.gz XGRDQEYUWIZGAP-XAEMIUIASA-N 2 1 336.545 3.034 20 0 EGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275563408 267381270 /nfs/dbraw/zinc/38/12/70/267381270.db2.gz NZTKFYYVOVTCPK-KGLIPLIRSA-N 2 1 346.862 3.106 20 0 EGADMP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)ccc2o1 ZINC000277260504 267740295 /nfs/dbraw/zinc/74/02/95/267740295.db2.gz QUVCVFGWKQAVSN-MRXNPFEDSA-N 2 1 330.428 3.136 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)ccc2o1 ZINC000277260504 267740297 /nfs/dbraw/zinc/74/02/97/267740297.db2.gz QUVCVFGWKQAVSN-MRXNPFEDSA-N 2 1 330.428 3.136 20 0 EGADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000353513272 274210666 /nfs/dbraw/zinc/21/06/66/274210666.db2.gz FIIJEZXVHOOTDE-YJBOKZPZSA-N 2 1 340.458 3.112 20 0 EGADMP CSc1ccc(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000179702661 275203198 /nfs/dbraw/zinc/20/31/98/275203198.db2.gz DGOHLUVFQLZTKD-UHFFFAOYSA-N 2 1 349.544 3.401 20 0 EGADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000185716458 275216530 /nfs/dbraw/zinc/21/65/30/275216530.db2.gz LDNJSAKVGZLDQO-XIHRTOKZSA-N 2 1 344.499 3.074 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1N(C)C ZINC000278721679 275268593 /nfs/dbraw/zinc/26/85/93/275268593.db2.gz VXJDUVHOXHYPHR-HZPDHXFCSA-N 2 1 337.483 3.043 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1N(C)C ZINC000278721679 275268595 /nfs/dbraw/zinc/26/85/95/275268595.db2.gz VXJDUVHOXHYPHR-HZPDHXFCSA-N 2 1 337.483 3.043 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCSc3ccc(F)cc32)CCCO1 ZINC000278778123 275273973 /nfs/dbraw/zinc/27/39/73/275273973.db2.gz YDPHJRKPAAHAHY-PBHICJAKSA-N 2 1 338.492 3.453 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCSc3ccc(F)cc32)CCCO1 ZINC000278778123 275273974 /nfs/dbraw/zinc/27/39/74/275273974.db2.gz YDPHJRKPAAHAHY-PBHICJAKSA-N 2 1 338.492 3.453 20 0 EGADMP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000279520772 275336882 /nfs/dbraw/zinc/33/68/82/275336882.db2.gz OIXGWOMCSYSWGF-IBGZPJMESA-N 2 1 327.472 3.238 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000280044126 275396070 /nfs/dbraw/zinc/39/60/70/275396070.db2.gz VPYFHKDZJBKJNC-QRFRQXIXSA-N 2 1 344.499 3.218 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccnn3C(C)C)CC2)oc1C ZINC000280903209 275505416 /nfs/dbraw/zinc/50/54/16/275505416.db2.gz OOIKTKZGNLUTQB-UHFFFAOYSA-N 2 1 345.491 3.071 20 0 EGADMP CCCN(CC[NH+]1CCCCC1)C(=O)c1sccc1C[NH+](C)C ZINC000286403262 275994399 /nfs/dbraw/zinc/99/43/99/275994399.db2.gz ZRGMSXUKFVHVHZ-UHFFFAOYSA-N 2 1 337.533 3.148 20 0 EGADMP CCN(C(=O)[C@H]1CC[NH2+][C@@H](C)C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000373507906 276064308 /nfs/dbraw/zinc/06/43/08/276064308.db2.gz CUXRDNGOCCSQFU-HNJRGHQBSA-N 2 1 343.515 3.059 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000125172191 276090062 /nfs/dbraw/zinc/09/00/62/276090062.db2.gz CBJHGNGWKDQXFN-QZTJIDSGSA-N 2 1 345.531 3.449 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2Cl)C1 ZINC000354107532 276100393 /nfs/dbraw/zinc/10/03/93/276100393.db2.gz QSYJZCUDOGRBIR-QGZVFWFLSA-N 2 1 340.895 3.281 20 0 EGADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000287351007 276111038 /nfs/dbraw/zinc/11/10/38/276111038.db2.gz GULXBPACMPALBV-AHJNKEMKSA-N 2 1 342.527 3.428 20 0 EGADMP FC(F)(F)[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000287691650 276148021 /nfs/dbraw/zinc/14/80/21/276148021.db2.gz NDWIGXBNWIDSNH-IAGOWNOFSA-N 2 1 342.405 3.134 20 0 EGADMP FC(F)(F)[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000287691650 276148022 /nfs/dbraw/zinc/14/80/22/276148022.db2.gz NDWIGXBNWIDSNH-IAGOWNOFSA-N 2 1 342.405 3.134 20 0 EGADMP COCCOCc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000289145503 276296513 /nfs/dbraw/zinc/29/65/13/276296513.db2.gz PUAAAJHVLGKWLM-UHFFFAOYSA-N 2 1 334.504 3.154 20 0 EGADMP Cc1cnn(C)c1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000289441443 276339624 /nfs/dbraw/zinc/33/96/24/276339624.db2.gz WMVCHYIPPLAFPA-UHFFFAOYSA-N 2 1 326.488 3.073 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000289556696 276357720 /nfs/dbraw/zinc/35/77/20/276357720.db2.gz YEKCNEPDYISELY-NHCUHLMSSA-N 2 1 329.532 3.066 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(Br)nc1 ZINC000289632034 276369115 /nfs/dbraw/zinc/36/91/15/276369115.db2.gz HILXYXBSTXTRBM-ZDUSSCGKSA-N 2 1 326.282 3.371 20 0 EGADMP CCOc1ccccc1NC(=O)CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000137693005 276383204 /nfs/dbraw/zinc/38/32/04/276383204.db2.gz GHXLXGBBGXJFMV-KRWDZBQOSA-N 2 1 347.503 3.220 20 0 EGADMP CCOc1ccccc1NC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000137693005 276383206 /nfs/dbraw/zinc/38/32/06/276383206.db2.gz GHXLXGBBGXJFMV-KRWDZBQOSA-N 2 1 347.503 3.220 20 0 EGADMP CCOc1ccccc1NC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000137693005 276383208 /nfs/dbraw/zinc/38/32/08/276383208.db2.gz GHXLXGBBGXJFMV-KRWDZBQOSA-N 2 1 347.503 3.220 20 0 EGADMP CC(C)n1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)nn1 ZINC000289758085 276389343 /nfs/dbraw/zinc/38/93/43/276389343.db2.gz OJEJFTVWDNQORK-QGZVFWFLSA-N 2 1 341.503 3.381 20 0 EGADMP CC(C)n1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)nn1 ZINC000289758085 276389344 /nfs/dbraw/zinc/38/93/44/276389344.db2.gz OJEJFTVWDNQORK-QGZVFWFLSA-N 2 1 341.503 3.381 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Br)nc2)C1 ZINC000289757933 276389392 /nfs/dbraw/zinc/38/93/92/276389392.db2.gz MWUZQDRFBMXOMF-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Br)nc2)C1 ZINC000289757933 276389394 /nfs/dbraw/zinc/38/93/94/276389394.db2.gz MWUZQDRFBMXOMF-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP Cc1nnc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000289789423 276394912 /nfs/dbraw/zinc/39/49/12/276394912.db2.gz NBLWNQNJKLEGOM-LBPRGKRZSA-N 2 1 327.457 3.234 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](CC[C@H](C)c2ccccc2)CC1 ZINC000289811609 276398884 /nfs/dbraw/zinc/39/88/84/276398884.db2.gz SURBKMHAOWCVIW-IBGZPJMESA-N 2 1 348.531 3.239 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000294689612 277023637 /nfs/dbraw/zinc/02/36/37/277023637.db2.gz IMENGZNHGRNEJD-LBPRGKRZSA-N 2 1 327.291 3.349 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC000347089765 277275584 /nfs/dbraw/zinc/27/55/84/277275584.db2.gz DPMOTJTYSYBODP-HNNXBMFYSA-N 2 1 332.879 3.266 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC000347089765 277275585 /nfs/dbraw/zinc/27/55/85/277275585.db2.gz DPMOTJTYSYBODP-HNNXBMFYSA-N 2 1 332.879 3.266 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)CC[N@H+]1C ZINC000151162894 278024969 /nfs/dbraw/zinc/02/49/69/278024969.db2.gz NXOQWGANGUODGV-CRAIPNDOSA-N 2 1 336.907 3.461 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000348383858 278275284 /nfs/dbraw/zinc/27/52/84/278275284.db2.gz UEJLTTQHSJZUAQ-AYDFFVQHSA-N 2 1 334.426 3.339 20 0 EGADMP C[C@@H]([NH2+]Cc1cn(C)nc1C(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000361124926 278359374 /nfs/dbraw/zinc/35/93/74/278359374.db2.gz VHUIPALNWFUBSJ-OLZOCXBDSA-N 2 1 326.435 3.100 20 0 EGADMP C[C@@H]([NH2+]Cc1cn(C)nc1C(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000361124926 278359376 /nfs/dbraw/zinc/35/93/76/278359376.db2.gz VHUIPALNWFUBSJ-OLZOCXBDSA-N 2 1 326.435 3.100 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000340586146 279045683 /nfs/dbraw/zinc/04/56/83/279045683.db2.gz JZSOSRRAIDJIBF-UXHICEINSA-N 2 1 339.483 3.099 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000338163885 279136940 /nfs/dbraw/zinc/13/69/40/279136940.db2.gz VWAZZDFHSCFLKQ-ZWKOTPCHSA-N 2 1 345.531 3.379 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1)C(C)C ZINC000262584315 279234814 /nfs/dbraw/zinc/23/48/14/279234814.db2.gz NOKXWITYCPKFGU-LPHOPBHVSA-N 2 1 331.504 3.116 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000360122729 279379098 /nfs/dbraw/zinc/37/90/98/279379098.db2.gz FMQWGLRWDHJRGF-KRWDZBQOSA-N 2 1 340.556 3.059 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351480522 281201090 /nfs/dbraw/zinc/20/10/90/281201090.db2.gz VNYRNOARLZLTAT-LAQRGFTBSA-N 2 1 329.488 3.115 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351480522 281201092 /nfs/dbraw/zinc/20/10/92/281201092.db2.gz VNYRNOARLZLTAT-LAQRGFTBSA-N 2 1 329.488 3.115 20 0 EGADMP Cc1ccccc1[C@H](CC(C)C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361173110 281383893 /nfs/dbraw/zinc/38/38/93/281383893.db2.gz AHXIBOVJOGWHPQ-QUCCMNQESA-N 2 1 345.531 3.259 20 0 EGADMP CC[NH+](CC)CC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000051589523 307331376 /nfs/dbraw/zinc/33/13/76/307331376.db2.gz ILWKYKYUYUXFOL-QGZVFWFLSA-N 2 1 331.504 3.019 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2C(F)(F)F)C1 ZINC000072858892 307383053 /nfs/dbraw/zinc/38/30/53/307383053.db2.gz MFRNYAXUAPAXCU-CQSZACIVSA-N 2 1 330.394 3.358 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2C(F)(F)F)C1 ZINC000072858892 307383054 /nfs/dbraw/zinc/38/30/54/307383054.db2.gz MFRNYAXUAPAXCU-CQSZACIVSA-N 2 1 330.394 3.358 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000072858892 307383055 /nfs/dbraw/zinc/38/30/55/307383055.db2.gz MFRNYAXUAPAXCU-CQSZACIVSA-N 2 1 330.394 3.358 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000072858892 307383056 /nfs/dbraw/zinc/38/30/56/307383056.db2.gz MFRNYAXUAPAXCU-CQSZACIVSA-N 2 1 330.394 3.358 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000413935822 309053013 /nfs/dbraw/zinc/05/30/13/309053013.db2.gz FBRONUGUAKZLIO-UHFFFAOYSA-N 2 1 332.423 3.236 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000414063640 309058569 /nfs/dbraw/zinc/05/85/69/309058569.db2.gz DZIKODGEOSSFQE-KSZLIROESA-N 2 1 333.520 3.369 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)nnn1-c1ccc(C)cc1 ZINC000414186924 309065532 /nfs/dbraw/zinc/06/55/32/309065532.db2.gz PUKQKJMFFOPAKE-SJLPKXTDSA-N 2 1 341.503 3.267 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NCc2c[nH+]c(N(C)C)n2C)cc1 ZINC000414307265 309072013 /nfs/dbraw/zinc/07/20/13/309072013.db2.gz YMUHVLBTPPAFPI-MRXNPFEDSA-N 2 1 341.503 3.473 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NCc2c[nH+]c(N(C)C)n2C)cc1 ZINC000414307265 309072014 /nfs/dbraw/zinc/07/20/14/309072014.db2.gz YMUHVLBTPPAFPI-MRXNPFEDSA-N 2 1 341.503 3.473 20 0 EGADMP CC(C)N(C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000248579509 308006341 /nfs/dbraw/zinc/00/63/41/308006341.db2.gz OINDJCVBPSBNEQ-BZSNNMDCSA-N 2 1 337.552 3.263 20 0 EGADMP CC(C)N(C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000248579509 308006343 /nfs/dbraw/zinc/00/63/43/308006343.db2.gz OINDJCVBPSBNEQ-BZSNNMDCSA-N 2 1 337.552 3.263 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000248870066 308013735 /nfs/dbraw/zinc/01/37/35/308013735.db2.gz ZTXLEHLJPKMMJI-MSOLQXFVSA-N 2 1 348.535 3.195 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000248870066 308013736 /nfs/dbraw/zinc/01/37/36/308013736.db2.gz ZTXLEHLJPKMMJI-MSOLQXFVSA-N 2 1 348.535 3.195 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000414443537 309080385 /nfs/dbraw/zinc/08/03/85/309080385.db2.gz NNCWMWJNCWDAJA-UHFFFAOYSA-N 2 1 341.434 3.347 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000414443537 309080386 /nfs/dbraw/zinc/08/03/86/309080386.db2.gz NNCWMWJNCWDAJA-UHFFFAOYSA-N 2 1 341.434 3.347 20 0 EGADMP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000293366582 308124245 /nfs/dbraw/zinc/12/42/45/308124245.db2.gz HRKNDTZCARGISP-BXWFABGCSA-N 2 1 343.446 3.342 20 0 EGADMP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c(Cl)c1OC ZINC000293711896 308155067 /nfs/dbraw/zinc/15/50/67/308155067.db2.gz MWPXEBFCSHTUCE-VNHYZAJKSA-N 2 1 340.895 3.218 20 0 EGADMP O=C(NCCCCC[NH+]1CCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000293788579 308162025 /nfs/dbraw/zinc/16/20/25/308162025.db2.gz AGTLUKPLGYKXDB-HXUWFJFHSA-N 2 1 343.515 3.033 20 0 EGADMP OCc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000293901453 308172100 /nfs/dbraw/zinc/17/21/00/308172100.db2.gz LEEOBWSONWFSNK-UHFFFAOYSA-N 2 1 340.467 3.260 20 0 EGADMP O[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000293927594 308174757 /nfs/dbraw/zinc/17/47/57/308174757.db2.gz YMYZDIBTMDKBAG-NZSAHSFTSA-N 2 1 340.467 3.415 20 0 EGADMP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000293927594 308174759 /nfs/dbraw/zinc/17/47/59/308174759.db2.gz YMYZDIBTMDKBAG-NZSAHSFTSA-N 2 1 340.467 3.415 20 0 EGADMP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000293927594 308174761 /nfs/dbraw/zinc/17/47/61/308174761.db2.gz YMYZDIBTMDKBAG-NZSAHSFTSA-N 2 1 340.467 3.415 20 0 EGADMP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000294713300 308248908 /nfs/dbraw/zinc/24/89/08/308248908.db2.gz HKDQKSCIVDEQPM-SJLPKXTDSA-N 2 1 343.496 3.010 20 0 EGADMP C[C@H](CCCO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000294864924 308265635 /nfs/dbraw/zinc/26/56/35/308265635.db2.gz UERQCXJIQBRTPW-BVOGOJNSSA-N 2 1 330.516 3.285 20 0 EGADMP C[C@@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)c1cc(F)cc(F)c1 ZINC000295189008 308300807 /nfs/dbraw/zinc/30/08/07/308300807.db2.gz NTDNSZBYKMCATI-HNNXBMFYSA-N 2 1 338.442 3.303 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c2nccn21 ZINC000295236875 308306190 /nfs/dbraw/zinc/30/61/90/308306190.db2.gz ONCQKMFZBJRMSG-MAUKXSAKSA-N 2 1 328.460 3.009 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1OCc1ccccc1 ZINC000414664381 309094412 /nfs/dbraw/zinc/09/44/12/309094412.db2.gz SSOJTYZOQPSFIJ-LPHOPBHVSA-N 2 1 340.467 3.443 20 0 EGADMP CCCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OCC ZINC000414677539 309095068 /nfs/dbraw/zinc/09/50/68/309095068.db2.gz WPCCCTBJHJNEAW-OKZBNKHCSA-N 2 1 332.488 3.433 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000414723499 309097588 /nfs/dbraw/zinc/09/75/88/309097588.db2.gz POZILJIGTZSCNM-NUJGCVRESA-N 3 1 333.545 3.080 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)CC[NH2+]1 ZINC000414732506 309097928 /nfs/dbraw/zinc/09/79/28/309097928.db2.gz AIQFMPAWDQGNBO-JKIFEVAISA-N 2 1 340.414 3.049 20 0 EGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc(F)cc2Br)CC[NH2+]1 ZINC000414756002 309098923 /nfs/dbraw/zinc/09/89/23/309098923.db2.gz IPNQISMUOMZLSU-RYUDHWBXSA-N 2 1 329.257 3.408 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc(Cl)c1O ZINC000297739934 308560088 /nfs/dbraw/zinc/56/00/88/308560088.db2.gz SXDAUACPHBBZKL-UONOGXRCSA-N 2 1 326.868 3.407 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccc2NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000297956716 308574991 /nfs/dbraw/zinc/57/49/91/308574991.db2.gz WFAARUOGOKUFMA-IRXDYDNUSA-N 2 1 343.515 3.335 20 0 EGADMP c1sc(-c2ccccn2)nc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784228 309100975 /nfs/dbraw/zinc/10/09/75/309100975.db2.gz QZADKGXRIBGSDG-GJZGRUSLSA-N 2 1 328.485 3.027 20 0 EGADMP COc1ccc2ccccc2c1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414794669 309101806 /nfs/dbraw/zinc/10/18/06/309101806.db2.gz VLUMEQRQUZINEH-KRWDZBQOSA-N 2 1 340.467 3.036 20 0 EGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000414803563 309102405 /nfs/dbraw/zinc/10/24/05/309102405.db2.gz DBSBAODIDVYMLW-UHFFFAOYSA-N 2 1 343.471 3.276 20 0 EGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414775125 309100086 /nfs/dbraw/zinc/10/00/86/309100086.db2.gz GFXGMFVAIWGKCN-INIZCTEOSA-N 2 1 342.405 3.201 20 0 EGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414828204 309104054 /nfs/dbraw/zinc/10/40/54/309104054.db2.gz LPBWTJNWIRAFBW-GOSISDBHSA-N 2 1 340.515 3.318 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414830768 309104299 /nfs/dbraw/zinc/10/42/99/309104299.db2.gz BNYJYHHTORRWBM-DZGCQCFKSA-N 2 1 325.884 3.329 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1Cl ZINC000414832973 309104507 /nfs/dbraw/zinc/10/45/07/309104507.db2.gz FKVBRFWSZHWKPX-ZFWWWQNUSA-N 2 1 325.884 3.329 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000339139605 308878885 /nfs/dbraw/zinc/87/88/85/308878885.db2.gz GKFYIJULYSBBQB-HZPDHXFCSA-N 2 1 349.482 3.470 20 0 EGADMP CC[C@H]([NH3+])C[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000414983421 309112841 /nfs/dbraw/zinc/11/28/41/309112841.db2.gz TYZJLKUJPXNULS-INIZCTEOSA-N 2 1 330.476 3.141 20 0 EGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414990291 309112976 /nfs/dbraw/zinc/11/29/76/309112976.db2.gz IFDBHNRRRHOOKF-SBDXKLHQSA-N 3 1 339.527 3.288 20 0 EGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000414990291 309112977 /nfs/dbraw/zinc/11/29/77/309112977.db2.gz IFDBHNRRRHOOKF-SBDXKLHQSA-N 2 1 339.527 3.288 20 0 EGADMP OC[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415083552 309119063 /nfs/dbraw/zinc/11/90/63/309119063.db2.gz PULYBOVJKZWBKR-CNNODRBYSA-N 2 1 349.478 3.154 20 0 EGADMP COc1ccc(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1OC ZINC000415086061 309119265 /nfs/dbraw/zinc/11/92/65/309119265.db2.gz ROZJQZOMJWHGLG-RBUKOAKNSA-N 2 1 340.467 3.329 20 0 EGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000415109054 309120824 /nfs/dbraw/zinc/12/08/24/309120824.db2.gz NICUYWFEJOSIGD-DLBZAZTESA-N 2 1 326.843 3.197 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)CC[NH2+]1 ZINC000415112851 309121092 /nfs/dbraw/zinc/12/10/92/309121092.db2.gz RBDMKIQDPJGIRN-ILXRZTDVSA-N 2 1 334.426 3.056 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000415904978 309147386 /nfs/dbraw/zinc/14/73/86/309147386.db2.gz HIGXTKKPQSURMA-YJBOKZPZSA-N 2 1 332.492 3.133 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000415909194 309147866 /nfs/dbraw/zinc/14/78/66/309147866.db2.gz SDXOVXVNRIHCTJ-SFHVURJKSA-N 2 1 332.492 3.134 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(CC(F)F)C2)cc1 ZINC000417376424 309203430 /nfs/dbraw/zinc/20/34/30/309203430.db2.gz BVMCLSAMGBXUHU-XJKSGUPXSA-N 2 1 334.414 3.171 20 0 EGADMP CCn1cncc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000417785376 309222137 /nfs/dbraw/zinc/22/21/37/309222137.db2.gz PLFQZZZGVWIXFX-UHFFFAOYSA-N 2 1 338.499 3.391 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)n(C)n1 ZINC000417876920 309226428 /nfs/dbraw/zinc/22/64/28/309226428.db2.gz RETBYOYWKVTACK-CALCHBBNSA-N 2 1 340.515 3.496 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)n(C)n1 ZINC000417876920 309226429 /nfs/dbraw/zinc/22/64/29/309226429.db2.gz RETBYOYWKVTACK-CALCHBBNSA-N 2 1 340.515 3.496 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2ccc(OC)c(C)c2)cc1 ZINC000420314595 309281419 /nfs/dbraw/zinc/28/14/19/309281419.db2.gz ZCJWYENDXREFOB-GOSISDBHSA-N 2 1 328.456 3.187 20 0 EGADMP CC[N@H+](Cc1ccc(Cl)cc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420316589 309281439 /nfs/dbraw/zinc/28/14/39/309281439.db2.gz MPQKMVPIVNCNPC-OALUTQOASA-N 2 1 332.875 3.093 20 0 EGADMP [NH3+]CCC[N@@H+](Cc1nc(-c2ccccc2F)no1)CC1CCCC1 ZINC000420318945 309281723 /nfs/dbraw/zinc/28/17/23/309281723.db2.gz QSVDHYCKWLSHCI-UHFFFAOYSA-N 2 1 332.423 3.217 20 0 EGADMP [NH3+]CCC[N@H+](Cc1nc(-c2ccccc2F)no1)CC1CCCC1 ZINC000420318945 309281724 /nfs/dbraw/zinc/28/17/24/309281724.db2.gz QSVDHYCKWLSHCI-UHFFFAOYSA-N 2 1 332.423 3.217 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000420319413 309281782 /nfs/dbraw/zinc/28/17/82/309281782.db2.gz PHGDXNWVWYVXCM-HOTGVXAUSA-N 2 1 331.485 3.074 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420325293 309282390 /nfs/dbraw/zinc/28/23/90/309282390.db2.gz BKXZBEIYMKRASF-YESZJQIVSA-N 2 1 329.488 3.068 20 0 EGADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000420331113 309282650 /nfs/dbraw/zinc/28/26/50/309282650.db2.gz BOAZGKKXQRSGPU-ROUUACIJSA-N 2 1 337.467 3.100 20 0 EGADMP CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420342587 309283360 /nfs/dbraw/zinc/28/33/60/309283360.db2.gz PRPJYAWKNQZRTI-SFHVURJKSA-N 2 1 343.515 3.387 20 0 EGADMP CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420344933 309283519 /nfs/dbraw/zinc/28/35/19/309283519.db2.gz VAZNIAFEJYRDOX-ZWKOTPCHSA-N 2 1 329.488 3.070 20 0 EGADMP Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CC[C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000420359432 309284175 /nfs/dbraw/zinc/28/41/75/309284175.db2.gz KMEQJFQRAHMGEA-SJORKVTESA-N 2 1 326.488 3.440 20 0 EGADMP Cc1ccc2nc([C@H]3CCC[N@H+](CC[C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC000420359432 309284176 /nfs/dbraw/zinc/28/41/76/309284176.db2.gz KMEQJFQRAHMGEA-SJORKVTESA-N 2 1 326.488 3.440 20 0 EGADMP Cc1ccc2nc([C@H]3CCC[N@@H+](CC[C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC000420359432 309284177 /nfs/dbraw/zinc/28/41/77/309284177.db2.gz KMEQJFQRAHMGEA-SJORKVTESA-N 2 1 326.488 3.440 20 0 EGADMP FC(F)Oc1cccc([C@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)c1 ZINC000420376291 309285003 /nfs/dbraw/zinc/28/50/03/309285003.db2.gz QHDCZBUKTMYZRJ-RHSMWYFYSA-N 2 1 340.414 3.051 20 0 EGADMP CC(C)(C)c1csc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)n1 ZINC000420394172 309286206 /nfs/dbraw/zinc/28/62/06/309286206.db2.gz RHLGGXCFPCBFQO-GJZGRUSLSA-N 2 1 337.533 3.159 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C[C@H]1C[NH3+] ZINC000420417864 309287021 /nfs/dbraw/zinc/28/70/21/309287021.db2.gz WNDLCGZWHWZQCA-FUHWJXTLSA-N 2 1 334.467 3.418 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000421340262 309318983 /nfs/dbraw/zinc/31/89/83/309318983.db2.gz IARNQRSCTQPDSK-QFIPXVFZSA-N 2 1 336.479 3.420 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc([C@H]4C[C@H]4C)o3)CC2)CC1 ZINC000421367214 309320870 /nfs/dbraw/zinc/32/08/70/309320870.db2.gz DWEQJGGERBQLOL-XLIONFOSSA-N 2 1 345.531 3.395 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@H]1C[NH3+] ZINC000422561450 309361719 /nfs/dbraw/zinc/36/17/19/309361719.db2.gz LGMLVVGSWUPQKJ-ZIFCJYIRSA-N 2 1 339.483 3.466 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422747470 309366247 /nfs/dbraw/zinc/36/62/47/309366247.db2.gz YUVOZLMDLUJGJG-SDZDHKAXSA-N 2 1 327.516 3.332 20 0 EGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422747470 309366248 /nfs/dbraw/zinc/36/62/48/309366248.db2.gz YUVOZLMDLUJGJG-SDZDHKAXSA-N 2 1 327.516 3.332 20 0 EGADMP COc1ccc([C@H](CN[C@H]2CC[NH2+]CC[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000422760900 309366915 /nfs/dbraw/zinc/36/69/15/309366915.db2.gz MHBHMYMXCNEZRQ-QMMLZNLJSA-N 2 1 345.531 3.200 20 0 EGADMP COc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)N2CCCCC2)cc1 ZINC000422768452 309367331 /nfs/dbraw/zinc/36/73/31/309367331.db2.gz TUBIGOZXSYTDFF-KXZRCVDZSA-N 2 1 343.515 3.095 20 0 EGADMP Clc1cccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+]2CCCC2)c1 ZINC000422840060 309371393 /nfs/dbraw/zinc/37/13/93/309371393.db2.gz AVHFYXDORHMBNM-ZZJWQFMZSA-N 2 1 333.907 3.350 20 0 EGADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OCC(F)(F)F)c1 ZINC000422871679 309373086 /nfs/dbraw/zinc/37/30/86/309373086.db2.gz ZOSVCYHDYCFUSJ-YIONKMFJSA-N 2 1 328.378 3.309 20 0 EGADMP COc1cc(OC)cc(OCCC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422929385 309376585 /nfs/dbraw/zinc/37/65/85/309376585.db2.gz PSRZQSQQANHKAN-UXHICEINSA-N 2 1 342.439 3.207 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000422965127 309378701 /nfs/dbraw/zinc/37/87/01/309378701.db2.gz NUFKNEKDAQYRLT-KKSFZXQISA-N 2 1 334.467 3.135 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423024882 309381493 /nfs/dbraw/zinc/38/14/93/309381493.db2.gz NAJXTBQSRLBNIU-VUCTXSBTSA-N 2 1 325.859 3.178 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000423026673 309381911 /nfs/dbraw/zinc/38/19/11/309381911.db2.gz BVXODMZBDSEMPU-OXJNMPFZSA-N 2 1 334.467 3.135 20 0 EGADMP Fc1ccc(CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1F ZINC000423054758 309383452 /nfs/dbraw/zinc/38/34/52/309383452.db2.gz UYNDSCTYYSHMIU-LZQZEXGQSA-N 2 1 338.442 3.034 20 0 EGADMP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000423073811 309384411 /nfs/dbraw/zinc/38/44/11/309384411.db2.gz JWRFGOCHJAKZIO-UNMCSNQZSA-N 2 1 349.478 3.306 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@H]1CCCC[NH2+]1 ZINC000423078712 309384902 /nfs/dbraw/zinc/38/49/02/309384902.db2.gz WNQMKBIEGTUSJL-LDTOTXGLSA-N 2 1 334.479 3.020 20 0 EGADMP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423115907 309386711 /nfs/dbraw/zinc/38/67/11/309386711.db2.gz YZQKFARABZGAKC-QYRPDUKASA-N 2 1 346.515 3.324 20 0 EGADMP CC[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1Cl)[C@@H]1CCC[NH2+]1 ZINC000423136302 309387829 /nfs/dbraw/zinc/38/78/29/309387829.db2.gz OZYJLFYJPCDKTQ-KGLIPLIRSA-N 2 1 326.868 3.020 20 0 EGADMP C[C@@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423142735 309388200 /nfs/dbraw/zinc/38/82/00/309388200.db2.gz VRLYTEUUSZSCPS-HMXCVIKNSA-N 2 1 329.532 3.409 20 0 EGADMP Fc1cccc(-n2cccn2)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423154262 309388614 /nfs/dbraw/zinc/38/86/14/309388614.db2.gz JEAVANADUOTATA-BMGDILEWSA-N 2 1 328.435 3.022 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000423211991 309390678 /nfs/dbraw/zinc/39/06/78/309390678.db2.gz LJERYHAYGWHXBY-VXGBXAGGSA-N 2 1 327.266 3.108 20 0 EGADMP CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+][C@@H]2CC[NH2+]C2)nc1 ZINC000423215708 309390910 /nfs/dbraw/zinc/39/09/10/309390910.db2.gz OIGUIBWFWXJABD-UXHICEINSA-N 2 1 343.902 3.403 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423260142 309392787 /nfs/dbraw/zinc/39/27/87/309392787.db2.gz PPWOYXNZGKWSEQ-ZDFPQIBNSA-N 3 1 341.543 3.266 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423322577 309395219 /nfs/dbraw/zinc/39/52/19/309395219.db2.gz IVYVHKCZLUQDCV-OXJNMPFZSA-N 2 1 337.467 3.101 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000423330888 309395562 /nfs/dbraw/zinc/39/55/62/309395562.db2.gz NWXXPSGQSVFMQO-BBWFWOEESA-N 2 1 331.504 3.194 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000423363785 309397143 /nfs/dbraw/zinc/39/71/43/309397143.db2.gz VFOIMUOZDCDPEJ-SQNIBIBYSA-N 2 1 343.515 3.433 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000423377067 309397790 /nfs/dbraw/zinc/39/77/90/309397790.db2.gz VRFCAVOXKNBRGB-IFLJBQAJSA-N 3 1 327.516 3.289 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000423377067 309397791 /nfs/dbraw/zinc/39/77/91/309397791.db2.gz VRFCAVOXKNBRGB-IFLJBQAJSA-N 3 1 327.516 3.289 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000423377067 309397792 /nfs/dbraw/zinc/39/77/92/309397792.db2.gz VRFCAVOXKNBRGB-IFLJBQAJSA-N 3 1 327.516 3.289 20 0 EGADMP C[C@H](NC[C@H]1[NH2+]CCCC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423384177 309397912 /nfs/dbraw/zinc/39/79/12/309397912.db2.gz JYIHJWCYIVGVRC-DFQSSKMNSA-N 2 1 329.532 3.265 20 0 EGADMP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H](C)C[NH3+] ZINC000423402619 309398692 /nfs/dbraw/zinc/39/86/92/309398692.db2.gz RLOOBCBDDPWWKP-BDAKNGLRSA-N 2 1 337.773 3.013 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)[C@H]1c1cccs1 ZINC000423426518 309399904 /nfs/dbraw/zinc/39/99/04/309399904.db2.gz PMAAFPBEDJPDKZ-PVAVHDDUSA-N 2 1 349.544 3.025 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(F)cc(Br)c1 ZINC000423495753 309402967 /nfs/dbraw/zinc/40/29/67/309402967.db2.gz VHHAABCHTKHOBM-LSDHHAIUSA-N 2 1 345.256 3.007 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000431551263 309636236 /nfs/dbraw/zinc/63/62/36/309636236.db2.gz AWFJCSDBVLEYOM-ROUUACIJSA-N 2 1 348.535 3.413 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000438987743 309823992 /nfs/dbraw/zinc/82/39/92/309823992.db2.gz VCBHEAHOKVCZPB-YSVLISHTSA-N 2 1 333.476 3.177 20 0 EGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)OCCCCO4)CC[C@H]21 ZINC000449049562 310033141 /nfs/dbraw/zinc/03/31/41/310033141.db2.gz RVHLAQIFSUFBDT-QZTJIDSGSA-N 2 1 330.472 3.154 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)OCCCCO4)CC[C@H]21 ZINC000449049562 310033142 /nfs/dbraw/zinc/03/31/42/310033142.db2.gz RVHLAQIFSUFBDT-QZTJIDSGSA-N 2 1 330.472 3.154 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)OCCCCO4)CC[C@H]21 ZINC000449049562 310033143 /nfs/dbraw/zinc/03/31/43/310033143.db2.gz RVHLAQIFSUFBDT-QZTJIDSGSA-N 2 1 330.472 3.154 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCCCO4)CC[C@H]21 ZINC000449049562 310033144 /nfs/dbraw/zinc/03/31/44/310033144.db2.gz RVHLAQIFSUFBDT-QZTJIDSGSA-N 2 1 330.472 3.154 20 0 EGADMP COc1ccc(-n2cc(C[NH2+]C[C@@H](C)C[NH+]3CCCCC3)cn2)cc1 ZINC000449088872 310036145 /nfs/dbraw/zinc/03/61/45/310036145.db2.gz IXJWRTULQICBGN-QGZVFWFLSA-N 2 1 342.487 3.093 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000449092974 310036617 /nfs/dbraw/zinc/03/66/17/310036617.db2.gz NOLKPHANWKUDAD-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000449092974 310036618 /nfs/dbraw/zinc/03/66/18/310036618.db2.gz NOLKPHANWKUDAD-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP CC[N@@H+](CCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1)C(C)C ZINC000449112278 310038006 /nfs/dbraw/zinc/03/80/06/310038006.db2.gz QGXQOEIKFQLKTC-LJQANCHMSA-N 2 1 331.548 3.402 20 0 EGADMP COc1cc(F)cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000449119733 310038538 /nfs/dbraw/zinc/03/85/38/310038538.db2.gz AKPSFWMUNRTKPC-SFHVURJKSA-N 2 1 342.458 3.489 20 0 EGADMP COc1cc(F)cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000449119733 310038539 /nfs/dbraw/zinc/03/85/39/310038539.db2.gz AKPSFWMUNRTKPC-SFHVURJKSA-N 2 1 342.458 3.489 20 0 EGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000449123385 310038600 /nfs/dbraw/zinc/03/86/00/310038600.db2.gz CDRDDFZMKOAEIB-PMACEKPBSA-N 2 1 346.515 3.387 20 0 EGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000449123385 310038601 /nfs/dbraw/zinc/03/86/01/310038601.db2.gz CDRDDFZMKOAEIB-PMACEKPBSA-N 2 1 346.515 3.387 20 0 EGADMP CCC[N@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449323911 310053474 /nfs/dbraw/zinc/05/34/74/310053474.db2.gz BOUZJBWCQVMHCZ-UHFFFAOYSA-N 2 1 332.467 3.390 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449323911 310053475 /nfs/dbraw/zinc/05/34/75/310053475.db2.gz BOUZJBWCQVMHCZ-UHFFFAOYSA-N 2 1 332.467 3.390 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CCC3CCCCC3)C2)CC1 ZINC000449512386 310068119 /nfs/dbraw/zinc/06/81/19/310068119.db2.gz ZOXKIRALHHNFJH-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CCC3CCCCC3)C2)CC1 ZINC000449512386 310068120 /nfs/dbraw/zinc/06/81/20/310068120.db2.gz ZOXKIRALHHNFJH-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CCC3CCCCC3)C2)CC1 ZINC000449512386 310068121 /nfs/dbraw/zinc/06/81/21/310068121.db2.gz ZOXKIRALHHNFJH-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CCC3CCCCC3)C2)CC1 ZINC000449512386 310068122 /nfs/dbraw/zinc/06/81/22/310068122.db2.gz ZOXKIRALHHNFJH-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CCCC[C@H]3C)C2)CC1 ZINC000449512558 310068261 /nfs/dbraw/zinc/06/82/61/310068261.db2.gz ZYKRGKQZUYPADN-GIVPXCGWSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CCCC[C@H]3C)C2)CC1 ZINC000449512558 310068262 /nfs/dbraw/zinc/06/82/62/310068262.db2.gz ZYKRGKQZUYPADN-GIVPXCGWSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@@H]3CCCC[C@H]3C)C2)CC1 ZINC000449512558 310068263 /nfs/dbraw/zinc/06/82/63/310068263.db2.gz ZYKRGKQZUYPADN-GIVPXCGWSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@@H]3CCCC[C@H]3C)C2)CC1 ZINC000449512558 310068264 /nfs/dbraw/zinc/06/82/64/310068264.db2.gz ZYKRGKQZUYPADN-GIVPXCGWSA-N 2 1 349.563 3.079 20 0 EGADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000449779707 310086519 /nfs/dbraw/zinc/08/65/19/310086519.db2.gz DSHKMSRKSZEPDA-UHFFFAOYSA-N 2 1 337.458 3.398 20 0 EGADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000449779707 310086520 /nfs/dbraw/zinc/08/65/20/310086520.db2.gz DSHKMSRKSZEPDA-UHFFFAOYSA-N 2 1 337.458 3.398 20 0 EGADMP C[NH+](C)CCC1CC[NH+](Cc2ccn(CCc3ccccc3)n2)CC1 ZINC000450281062 310112764 /nfs/dbraw/zinc/11/27/64/310112764.db2.gz ASDOKNGALNPSED-UHFFFAOYSA-N 2 1 340.515 3.290 20 0 EGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC3=CCCCC3)CC2)CC1 ZINC000450397538 310120077 /nfs/dbraw/zinc/12/00/77/310120077.db2.gz VYTAEXVFMRTYRF-UHFFFAOYSA-N 2 1 347.547 3.143 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)CC1 ZINC000451411077 310176762 /nfs/dbraw/zinc/17/67/62/310176762.db2.gz UMUXVAMKDRUOLZ-HZPDHXFCSA-N 2 1 335.458 3.065 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@H]3C=CCCCCC3)C2)CC1 ZINC000451532466 310183375 /nfs/dbraw/zinc/18/33/75/310183375.db2.gz TYPLDNGETBBEIT-SFTDATJTSA-N 2 1 347.547 3.142 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@H]3C=CCCCCC3)C2)CC1 ZINC000451532466 310183376 /nfs/dbraw/zinc/18/33/76/310183376.db2.gz TYPLDNGETBBEIT-SFTDATJTSA-N 2 1 347.547 3.142 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@H]3C=CCCCCC3)C2)CC1 ZINC000451532466 310183377 /nfs/dbraw/zinc/18/33/77/310183377.db2.gz TYPLDNGETBBEIT-SFTDATJTSA-N 2 1 347.547 3.142 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@H]3C=CCCCCC3)C2)CC1 ZINC000451532466 310183378 /nfs/dbraw/zinc/18/33/78/310183378.db2.gz TYPLDNGETBBEIT-SFTDATJTSA-N 2 1 347.547 3.142 20 0 EGADMP C(=C/C[N@H+]1CCSC[C@@H]1C1CC1)\C[NH+]1CCSC[C@H]1C1CC1 ZINC000451646436 310191099 /nfs/dbraw/zinc/19/10/99/310191099.db2.gz FLPIVRVIZYQCGN-KVHJKKSTSA-N 2 1 338.586 3.197 20 0 EGADMP C(=C/C[N@@H+]1CCSC[C@H]1C1CC1)\C[NH+]1CCSC[C@@H]1C1CC1 ZINC000451646436 310191100 /nfs/dbraw/zinc/19/11/00/310191100.db2.gz FLPIVRVIZYQCGN-KVHJKKSTSA-N 2 1 338.586 3.197 20 0 EGADMP C(=C/C[N@H+]1CCSC[C@H]1C1CC1)\C[NH+]1CCSC[C@@H]1C1CC1 ZINC000451646436 310191101 /nfs/dbraw/zinc/19/11/01/310191101.db2.gz FLPIVRVIZYQCGN-KVHJKKSTSA-N 2 1 338.586 3.197 20 0 EGADMP Cc1c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cnn1C ZINC000453172672 310262341 /nfs/dbraw/zinc/26/23/41/310262341.db2.gz IKTKQFVIUANXEM-NJYVYQBISA-N 2 1 338.499 3.261 20 0 EGADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453237317 310266015 /nfs/dbraw/zinc/26/60/15/310266015.db2.gz VDICGSLMNIHQIK-UWHLTILDSA-N 2 1 330.516 3.284 20 0 EGADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000453391494 310274391 /nfs/dbraw/zinc/27/43/91/310274391.db2.gz DOGIBEKMYQRUCG-ILWGZMRPSA-N 3 1 341.543 3.361 20 0 EGADMP C[NH+](CCCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000453391494 310274392 /nfs/dbraw/zinc/27/43/92/310274392.db2.gz DOGIBEKMYQRUCG-ILWGZMRPSA-N 3 1 341.543 3.361 20 0 EGADMP C[NH+](CCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000453391494 310274393 /nfs/dbraw/zinc/27/43/93/310274393.db2.gz DOGIBEKMYQRUCG-ILWGZMRPSA-N 3 1 341.543 3.361 20 0 EGADMP COc1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc(Cl)c1OC ZINC000453604851 310283940 /nfs/dbraw/zinc/28/39/40/310283940.db2.gz SFDVOIIXCFOCHJ-UHFFFAOYSA-N 2 1 326.868 3.321 20 0 EGADMP CC(C)[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@H+]1C ZINC000455870258 310380433 /nfs/dbraw/zinc/38/04/33/310380433.db2.gz XADKCNLZPLTBHV-OALUTQOASA-N 2 1 344.503 3.039 20 0 EGADMP C[NH+](C)[C@@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccccc1 ZINC000456260343 310395309 /nfs/dbraw/zinc/39/53/09/310395309.db2.gz FMNMJLXPQFOYDN-VQTJNVASSA-N 2 1 337.467 3.477 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456338898 310399346 /nfs/dbraw/zinc/39/93/46/310399346.db2.gz OLZWIHPGWTZXAP-ZWKOTPCHSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000482645683 310935446 /nfs/dbraw/zinc/93/54/46/310935446.db2.gz HZXRTRDDXBODMD-JKSUJKDBSA-N 2 1 347.330 3.463 20 0 EGADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000487190834 311014727 /nfs/dbraw/zinc/01/47/27/311014727.db2.gz BOMNBHRDQVCIOB-PWIZWCRZSA-N 2 1 343.515 3.201 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]C/C=C/c3ccncc3)CC2)oc1C ZINC000487305507 311019756 /nfs/dbraw/zinc/01/97/56/311019756.db2.gz CSSXPULVGQSBME-ONEGZZNKSA-N 2 1 340.471 3.201 20 0 EGADMP C[C@@H](c1ccccn1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000493281325 311353472 /nfs/dbraw/zinc/35/34/72/311353472.db2.gz PAKALKMOHSDSOF-SFHVURJKSA-N 3 1 344.547 3.271 20 0 EGADMP CN(C(=O)OC(C)(C)C)C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000493286521 311354124 /nfs/dbraw/zinc/35/41/24/311354124.db2.gz PEQHFTZXBZRXRH-INIZCTEOSA-N 2 1 339.524 3.192 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCC(C)(C)C ZINC000505344484 312020099 /nfs/dbraw/zinc/02/00/99/312020099.db2.gz OYKARCWEMKHNKX-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000513079860 312201287 /nfs/dbraw/zinc/20/12/87/312201287.db2.gz BXPLODXRUNOLCO-OWCLPIDISA-N 2 1 349.485 3.359 20 0 EGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)C[NH+]3CCC(C)(C)C3)c2C1 ZINC000516490143 312325719 /nfs/dbraw/zinc/32/57/19/312325719.db2.gz OFWXFEVVDXWVEH-UHFFFAOYSA-N 2 1 329.488 3.329 20 0 EGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)C[N@@H+]3CCC(C)(C)C3)c2C1 ZINC000516490143 312325720 /nfs/dbraw/zinc/32/57/20/312325720.db2.gz OFWXFEVVDXWVEH-UHFFFAOYSA-N 2 1 329.488 3.329 20 0 EGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)C[N@H+]3CCC(C)(C)C3)c2C1 ZINC000516490143 312325721 /nfs/dbraw/zinc/32/57/21/312325721.db2.gz OFWXFEVVDXWVEH-UHFFFAOYSA-N 2 1 329.488 3.329 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000516872239 312347251 /nfs/dbraw/zinc/34/72/51/312347251.db2.gz SHWKTGQWKJVIFA-SNVBAGLBSA-N 2 1 333.220 3.288 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000516872239 312347253 /nfs/dbraw/zinc/34/72/53/312347253.db2.gz SHWKTGQWKJVIFA-SNVBAGLBSA-N 2 1 333.220 3.288 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000516978016 312355799 /nfs/dbraw/zinc/35/57/99/312355799.db2.gz SNHHPAISFSYDIB-UHFFFAOYSA-N 2 1 346.450 3.231 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000516978016 312355801 /nfs/dbraw/zinc/35/58/01/312355801.db2.gz SNHHPAISFSYDIB-UHFFFAOYSA-N 2 1 346.450 3.231 20 0 EGADMP Clc1ccc2[nH+]ccc(N3CC[NH+](CC4CCOCC4)CC3)c2c1 ZINC000524053035 312643499 /nfs/dbraw/zinc/64/34/99/312643499.db2.gz HHTLFEQBYXQHEW-UHFFFAOYSA-N 2 1 345.874 3.437 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+](C/C=C\c3ccccc3)CC2)CC1 ZINC000533537531 313917173 /nfs/dbraw/zinc/91/71/73/313917173.db2.gz WFCIBPGSTDEOFC-TWGQIWQCSA-N 2 1 327.516 3.190 20 0 EGADMP COc1cc2c(cc1CN(C)CC[C@H]1CCCC[N@H+]1C)O[C@@H](C)C2 ZINC000536678531 314138046 /nfs/dbraw/zinc/13/80/46/314138046.db2.gz CALXDVHZJXOMJC-MAUKXSAKSA-N 2 1 332.488 3.325 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000537095599 314160681 /nfs/dbraw/zinc/16/06/81/314160681.db2.gz GUNKOHYENQCAKY-LNLFQRSKSA-N 2 1 326.488 3.371 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(C(=O)OC)o2)CC1)CC1CC1 ZINC000539957244 314353699 /nfs/dbraw/zinc/35/36/99/314353699.db2.gz JLCBBLLCMQACGT-UHFFFAOYSA-N 2 1 348.487 3.400 20 0 EGADMP CN(CC[N@@H+](C)CCc1ccc2ccccc2c1)C1CC[NH+](C)CC1 ZINC000540319231 314373895 /nfs/dbraw/zinc/37/38/95/314373895.db2.gz MZIJFSRHFQGMLG-UHFFFAOYSA-N 2 1 339.527 3.340 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000550919011 315137853 /nfs/dbraw/zinc/13/78/53/315137853.db2.gz CBHDIGMGMJTNEY-VKJFTORMSA-N 2 1 348.560 3.372 20 0 EGADMP C[C@H]([NH2+]C[C@]1(O)CCCC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000552357503 315216190 /nfs/dbraw/zinc/21/61/90/315216190.db2.gz CMYIQECCVVZFDQ-FBBABVLZSA-N 2 1 330.516 3.428 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000553781150 315281876 /nfs/dbraw/zinc/28/18/76/315281876.db2.gz ALOXJLBNLOFFPJ-GBESFXJTSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C1CCC(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000554855837 315353081 /nfs/dbraw/zinc/35/30/81/315353081.db2.gz YAALOBXUGWXONM-UEKLYDJUSA-N 2 1 335.580 3.407 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@H]2CCCCC[C@H]2[NH3+])N2CCCC2)cc1 ZINC000563528270 316033517 /nfs/dbraw/zinc/03/35/17/316033517.db2.gz RMTZQFDMEVTNIG-AABGKKOBSA-N 2 1 331.504 3.082 20 0 EGADMP Cn1c2ccc(N[C@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2[nH+]c1C(C)(C)C ZINC000563700276 316058484 /nfs/dbraw/zinc/05/84/84/316058484.db2.gz GVHQKXXXZLWAPO-ZWKOTPCHSA-N 2 1 342.487 3.050 20 0 EGADMP CC1CCC(O)(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000564375486 316144390 /nfs/dbraw/zinc/14/43/90/316144390.db2.gz ALMUXBHIFDOQMB-KSBZDLFUSA-N 2 1 342.527 3.382 20 0 EGADMP CC1CCC(O)(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000564375486 316144393 /nfs/dbraw/zinc/14/43/93/316144393.db2.gz ALMUXBHIFDOQMB-KSBZDLFUSA-N 2 1 342.527 3.382 20 0 EGADMP CC1CCC(O)(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000564375486 316144395 /nfs/dbraw/zinc/14/43/95/316144395.db2.gz ALMUXBHIFDOQMB-KSBZDLFUSA-N 2 1 342.527 3.382 20 0 EGADMP C[C@H]1C[N@H+](CCS[C@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC000564965796 316238476 /nfs/dbraw/zinc/23/84/76/316238476.db2.gz LRQDUGMBHLOXRG-HKUYNNGSSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@H]1C[N@@H+](CCS[C@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC000564965796 316238477 /nfs/dbraw/zinc/23/84/77/316238477.db2.gz LRQDUGMBHLOXRG-HKUYNNGSSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@H]1C[NH+](CCS[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000564965796 316238478 /nfs/dbraw/zinc/23/84/78/316238478.db2.gz LRQDUGMBHLOXRG-HKUYNNGSSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@H]1C[NH+](CCS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000564965796 316238479 /nfs/dbraw/zinc/23/84/79/316238479.db2.gz LRQDUGMBHLOXRG-HKUYNNGSSA-N 2 1 334.529 3.105 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000570795108 317109137 /nfs/dbraw/zinc/10/91/37/317109137.db2.gz LVXMDOOEYOXSIS-NRFANRHFSA-N 2 1 337.467 3.318 20 0 EGADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000570953584 317132411 /nfs/dbraw/zinc/13/24/11/317132411.db2.gz PQMLRIKKBPJLSQ-WCIQWLHISA-N 2 1 343.515 3.153 20 0 EGADMP CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccncc1 ZINC000571853207 317256210 /nfs/dbraw/zinc/25/62/10/317256210.db2.gz JUUXZEJRELIOTD-ROUUACIJSA-N 2 1 344.528 3.173 20 0 EGADMP C[N@H+]1CCC[C@H](CNCc2c(F)ccc(Br)c2F)C1 ZINC000230307659 456136009 /nfs/dbraw/zinc/13/60/09/456136009.db2.gz ZVCWWDKGQYYNDU-SNVBAGLBSA-N 2 1 333.220 3.159 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCC(F)(F)F ZINC000174516501 323307368 /nfs/dbraw/zinc/30/73/68/323307368.db2.gz CVSWGTRZXRARLT-TZMCWYRMSA-N 2 1 346.393 3.209 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCC(F)(F)F ZINC000174516501 323307371 /nfs/dbraw/zinc/30/73/71/323307371.db2.gz CVSWGTRZXRARLT-TZMCWYRMSA-N 2 1 346.393 3.209 20 0 EGADMP CCCC(CCC)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000177318337 323338771 /nfs/dbraw/zinc/33/87/71/323338771.db2.gz SYEFWMHVFHVKLU-LJQANCHMSA-N 2 1 345.531 3.442 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000386626670 324268556 /nfs/dbraw/zinc/26/85/56/324268556.db2.gz OTNRUKUNYXURBE-CMPLNLGQSA-N 2 1 329.307 3.429 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000386626670 324268560 /nfs/dbraw/zinc/26/85/60/324268560.db2.gz OTNRUKUNYXURBE-CMPLNLGQSA-N 2 1 329.307 3.429 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000579335180 325096025 /nfs/dbraw/zinc/09/60/25/325096025.db2.gz LKEWVRHMJKLWOD-MSOLQXFVSA-N 2 1 333.451 3.069 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000579335180 325096029 /nfs/dbraw/zinc/09/60/29/325096029.db2.gz LKEWVRHMJKLWOD-MSOLQXFVSA-N 2 1 333.451 3.069 20 0 EGADMP C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000579372558 325101344 /nfs/dbraw/zinc/10/13/44/325101344.db2.gz QIMMOEZBDACJMY-BBRMVZONSA-N 2 1 339.911 3.035 20 0 EGADMP Cc1ncncc1[C@@H](C)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000580095207 325203147 /nfs/dbraw/zinc/20/31/47/325203147.db2.gz LVINDKNCYOWQNN-ZBFHGGJFSA-N 2 1 330.501 3.409 20 0 EGADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000580095207 325203153 /nfs/dbraw/zinc/20/31/53/325203153.db2.gz LVINDKNCYOWQNN-ZBFHGGJFSA-N 2 1 330.501 3.409 20 0 EGADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000580095207 325203155 /nfs/dbraw/zinc/20/31/55/325203155.db2.gz LVINDKNCYOWQNN-ZBFHGGJFSA-N 2 1 330.501 3.409 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000183120622 455232788 /nfs/dbraw/zinc/23/27/88/455232788.db2.gz CIBKGZQPYHZGSX-PXNSSMCTSA-N 2 1 339.483 3.099 20 0 EGADMP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCCS2 ZINC000423493931 458443869 /nfs/dbraw/zinc/44/38/69/458443869.db2.gz RJWQPDUBPLOZMX-ZFWWWQNUSA-N 2 1 326.893 3.235 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000157898684 455245880 /nfs/dbraw/zinc/24/58/80/455245880.db2.gz WJLOGHPXZAICGQ-LJQANCHMSA-N 2 1 344.547 3.290 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000190052648 455275163 /nfs/dbraw/zinc/27/51/63/455275163.db2.gz JNTCNGFYCRMXBP-MDZRGWNJSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000190052648 455275164 /nfs/dbraw/zinc/27/51/64/455275164.db2.gz JNTCNGFYCRMXBP-MDZRGWNJSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000190052648 455275166 /nfs/dbraw/zinc/27/51/66/455275166.db2.gz JNTCNGFYCRMXBP-MDZRGWNJSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000190052648 455275168 /nfs/dbraw/zinc/27/51/68/455275168.db2.gz JNTCNGFYCRMXBP-MDZRGWNJSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631846345 460579064 /nfs/dbraw/zinc/57/90/64/460579064.db2.gz XUSQWMCPEZOOGB-GXFFZTMASA-N 2 1 340.258 3.052 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631846345 460579070 /nfs/dbraw/zinc/57/90/70/460579070.db2.gz XUSQWMCPEZOOGB-GXFFZTMASA-N 2 1 340.258 3.052 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000081568276 453888866 /nfs/dbraw/zinc/88/88/66/453888866.db2.gz RBYLJNWTJGIPPI-UXHICEINSA-N 2 1 348.531 3.015 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000081568276 453888870 /nfs/dbraw/zinc/88/88/70/453888870.db2.gz RBYLJNWTJGIPPI-UXHICEINSA-N 2 1 348.531 3.015 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000081568276 453888874 /nfs/dbraw/zinc/88/88/74/453888874.db2.gz RBYLJNWTJGIPPI-UXHICEINSA-N 2 1 348.531 3.015 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000081568276 453888875 /nfs/dbraw/zinc/88/88/75/453888875.db2.gz RBYLJNWTJGIPPI-UXHICEINSA-N 2 1 348.531 3.015 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]C2CCSCC2)C[C@H](C)O1 ZINC000075831176 453928357 /nfs/dbraw/zinc/92/83/57/453928357.db2.gz XAMUJEJSRINCTK-IYBDPMFKSA-N 2 1 334.529 3.281 20 0 EGADMP CCOc1cccc(C[NH2+]CCCn2cc[nH+]c2C)c1OC(F)F ZINC000069754195 454141163 /nfs/dbraw/zinc/14/11/63/454141163.db2.gz PWZYVCUEUDYMGT-UHFFFAOYSA-N 2 1 339.386 3.372 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@H](C)C1 ZINC000089510305 454157616 /nfs/dbraw/zinc/15/76/16/454157616.db2.gz MYLCUMNDVRONSB-YLJYHZDGSA-N 2 1 343.515 3.133 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@H](C)C1 ZINC000089510305 454157617 /nfs/dbraw/zinc/15/76/17/454157617.db2.gz MYLCUMNDVRONSB-YLJYHZDGSA-N 2 1 343.515 3.133 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)[C@H](C)C1 ZINC000089669142 454175590 /nfs/dbraw/zinc/17/55/90/454175590.db2.gz FIEDFRFFGQTYRJ-WBVHZDCISA-N 2 1 344.528 3.458 20 0 EGADMP C[C@@H](O)CC(C)(C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090084432 454275227 /nfs/dbraw/zinc/27/52/27/454275227.db2.gz QMVOTYVVILHUGS-MRXNPFEDSA-N 2 1 336.495 3.219 20 0 EGADMP Cc1cc(N2CC[NH+](Cc3ccncc3)CC2)c2cc(F)ccc2[nH+]1 ZINC000120305734 454285087 /nfs/dbraw/zinc/28/50/87/454285087.db2.gz WJKBJKJLRIFMSS-UHFFFAOYSA-N 2 1 336.414 3.400 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000090234849 454296738 /nfs/dbraw/zinc/29/67/38/454296738.db2.gz ITQQGKVKPYCQIC-IPYPFGDCSA-N 2 1 330.394 3.446 20 0 EGADMP CC(C)C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccn1 ZINC000132780345 454365804 /nfs/dbraw/zinc/36/58/04/454365804.db2.gz KAPNUFYDWZAAJX-YLJYHZDGSA-N 2 1 331.504 3.259 20 0 EGADMP COc1cccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)c1 ZINC000097021375 454388945 /nfs/dbraw/zinc/38/89/45/454388945.db2.gz LGAGECULEWBOGN-ZVDOUQERSA-N 2 1 343.515 3.049 20 0 EGADMP COc1cccc([C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)N2CCCC2)c1 ZINC000097021375 454388950 /nfs/dbraw/zinc/38/89/50/454388950.db2.gz LGAGECULEWBOGN-ZVDOUQERSA-N 2 1 343.515 3.049 20 0 EGADMP COc1cccc([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)N2CCCC2)c1 ZINC000097021375 454388958 /nfs/dbraw/zinc/38/89/58/454388958.db2.gz LGAGECULEWBOGN-ZVDOUQERSA-N 2 1 343.515 3.049 20 0 EGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)CCCC[NH+](C)C)cc2)C1 ZINC000073303314 454418484 /nfs/dbraw/zinc/41/84/84/454418484.db2.gz HXWUGHKSFIVXIX-KRWDZBQOSA-N 2 1 347.503 3.078 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000091306404 454424601 /nfs/dbraw/zinc/42/46/01/454424601.db2.gz UVBPBLMLDMZEDG-IRXDYDNUSA-N 2 1 344.421 3.449 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000121430230 454434577 /nfs/dbraw/zinc/43/45/77/454434577.db2.gz FZMYXWFVERHOCZ-LSDHHAIUSA-N 2 1 342.443 3.135 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H](C)C[NH+]3CCCCC3)c(C)n2n1 ZINC000121585731 454454405 /nfs/dbraw/zinc/45/44/05/454454405.db2.gz SRLZIFFLLCKBQE-ZBFHGGJFSA-N 2 1 329.492 3.119 20 0 EGADMP CC[N@H+]1CCC[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000121818032 454481380 /nfs/dbraw/zinc/48/13/80/454481380.db2.gz UIXZZJADXNUJIY-FQEVSTJZSA-N 2 1 329.532 3.015 20 0 EGADMP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000121891220 454490067 /nfs/dbraw/zinc/49/00/67/454490067.db2.gz DNEMYJSEKTYSLZ-YWZLYKJASA-N 2 1 326.484 3.463 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000074181695 454541029 /nfs/dbraw/zinc/54/10/29/454541029.db2.gz VTYYKHSSKMZCMU-INIZCTEOSA-N 2 1 338.455 3.239 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000122875499 454577724 /nfs/dbraw/zinc/57/77/24/454577724.db2.gz MZCGIXCOLKPICF-NVXWUHKLSA-N 2 1 332.488 3.055 20 0 EGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc(F)cc(F)c3)CC2)C[C@H](C)O1 ZINC000092587003 454591517 /nfs/dbraw/zinc/59/15/17/454591517.db2.gz KXEWASCPLBKBGM-GJZGRUSLSA-N 2 1 338.442 3.286 20 0 EGADMP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)NCC1CCCCC1 ZINC000134881870 454602527 /nfs/dbraw/zinc/60/25/27/454602527.db2.gz AQTZNYDECWBXCW-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)NCC1CCCCC1 ZINC000134881870 454602530 /nfs/dbraw/zinc/60/25/30/454602530.db2.gz AQTZNYDECWBXCW-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NCC1CCCCC1 ZINC000134881870 454602534 /nfs/dbraw/zinc/60/25/34/454602534.db2.gz AQTZNYDECWBXCW-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)NCC1CCCCC1 ZINC000134881870 454602535 /nfs/dbraw/zinc/60/25/35/454602535.db2.gz AQTZNYDECWBXCW-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)NCC1CCCCC1 ZINC000134881899 454602585 /nfs/dbraw/zinc/60/25/85/454602585.db2.gz AQTZNYDECWBXCW-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)NCC1CCCCC1 ZINC000134881899 454602588 /nfs/dbraw/zinc/60/25/88/454602588.db2.gz AQTZNYDECWBXCW-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NCC1CCCCC1 ZINC000134881899 454602591 /nfs/dbraw/zinc/60/25/91/454602591.db2.gz AQTZNYDECWBXCW-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)NCC1CCCCC1 ZINC000134881899 454602594 /nfs/dbraw/zinc/60/25/94/454602594.db2.gz AQTZNYDECWBXCW-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000092745668 454624253 /nfs/dbraw/zinc/62/42/53/454624253.db2.gz NJWUAHPTYRSLKS-WMZOPIPTSA-N 2 1 327.447 3.436 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000092745668 454624257 /nfs/dbraw/zinc/62/42/57/454624257.db2.gz NJWUAHPTYRSLKS-WMZOPIPTSA-N 2 1 327.447 3.436 20 0 EGADMP CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000135158929 454639992 /nfs/dbraw/zinc/63/99/92/454639992.db2.gz YJIOKEYBOPQVQH-RTBURBONSA-N 2 1 330.472 3.168 20 0 EGADMP CC(C)OC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000135158929 454639996 /nfs/dbraw/zinc/63/99/96/454639996.db2.gz YJIOKEYBOPQVQH-RTBURBONSA-N 2 1 330.472 3.168 20 0 EGADMP CC(C)OC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000135158929 454639998 /nfs/dbraw/zinc/63/99/98/454639998.db2.gz YJIOKEYBOPQVQH-RTBURBONSA-N 2 1 330.472 3.168 20 0 EGADMP CCCC[C@H](C(=O)OC)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821482 454641800 /nfs/dbraw/zinc/64/18/00/454641800.db2.gz MIYFCMFSBAADLP-LJQANCHMSA-N 2 1 347.503 3.352 20 0 EGADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000123530845 454649140 /nfs/dbraw/zinc/64/91/40/454649140.db2.gz BUGCUIBAZPRCCV-QOKNQOGYSA-N 2 1 326.488 3.307 20 0 EGADMP CCC1CCC([N@@H+](CC(=O)NC2CC[NH+](CC)CC2)C2CC2)CC1 ZINC000052103417 454654911 /nfs/dbraw/zinc/65/49/11/454654911.db2.gz FGSNRNKAAWPAAZ-UHFFFAOYSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cc(C)ccc1OC ZINC000093397610 454711190 /nfs/dbraw/zinc/71/11/90/454711190.db2.gz DCWRJVRQOOBEJJ-HXUWFJFHSA-N 2 1 347.547 3.462 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)C2CCC(OC)CC2)CC1 ZINC000093415099 454713840 /nfs/dbraw/zinc/71/38/40/454713840.db2.gz MBPIFVVJYZXEHB-UHFFFAOYSA-N 2 1 345.531 3.218 20 0 EGADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(OC)cc1 ZINC000124408965 454728997 /nfs/dbraw/zinc/72/89/97/454728997.db2.gz NFJVVWQMBDBTNT-FQEVSTJZSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)o1 ZINC000136233109 454731647 /nfs/dbraw/zinc/73/16/47/454731647.db2.gz DNAWAZJYJJXNNL-WMLDXEAASA-N 2 1 329.444 3.028 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000162189487 454757371 /nfs/dbraw/zinc/75/73/71/454757371.db2.gz HFEKYEPDIMSIFD-NHYWBVRUSA-N 2 1 329.257 3.061 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000124705189 454762224 /nfs/dbraw/zinc/76/22/24/454762224.db2.gz USWWWBZXQKOELI-KRWDZBQOSA-N 2 1 327.428 3.190 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000124705189 454762226 /nfs/dbraw/zinc/76/22/26/454762226.db2.gz USWWWBZXQKOELI-KRWDZBQOSA-N 2 1 327.428 3.190 20 0 EGADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000635012594 460655167 /nfs/dbraw/zinc/65/51/67/460655167.db2.gz WYMLKDUTNBCPAI-JTSKRJEESA-N 3 1 341.543 3.465 20 0 EGADMP Cc1ccc2c(CN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc(=O)oc2c1C ZINC000139820240 454812098 /nfs/dbraw/zinc/81/20/98/454812098.db2.gz KXEJPTVMKOEFCD-APWZRJJASA-N 2 1 340.467 3.326 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc(=O)oc2c1C ZINC000139820240 454812100 /nfs/dbraw/zinc/81/21/00/454812100.db2.gz KXEJPTVMKOEFCD-APWZRJJASA-N 2 1 340.467 3.326 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc(=O)oc2c1C ZINC000139820240 454812104 /nfs/dbraw/zinc/81/21/04/454812104.db2.gz KXEJPTVMKOEFCD-APWZRJJASA-N 2 1 340.467 3.326 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cc(=O)oc2c1C ZINC000139820240 454812106 /nfs/dbraw/zinc/81/21/06/454812106.db2.gz KXEJPTVMKOEFCD-APWZRJJASA-N 2 1 340.467 3.326 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cc(=O)oc2c1C ZINC000139820240 454812109 /nfs/dbraw/zinc/81/21/09/454812109.db2.gz KXEJPTVMKOEFCD-APWZRJJASA-N 2 1 340.467 3.326 20 0 EGADMP Cc1cc2oc(=O)cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c2cc1C ZINC000139902522 454813243 /nfs/dbraw/zinc/81/32/43/454813243.db2.gz ANKPCWCBGZRWER-APWZRJJASA-N 2 1 340.467 3.326 20 0 EGADMP Cc1cc2oc(=O)cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2cc1C ZINC000139902522 454813246 /nfs/dbraw/zinc/81/32/46/454813246.db2.gz ANKPCWCBGZRWER-APWZRJJASA-N 2 1 340.467 3.326 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)c2cc1C ZINC000139902522 454813250 /nfs/dbraw/zinc/81/32/50/454813250.db2.gz ANKPCWCBGZRWER-APWZRJJASA-N 2 1 340.467 3.326 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)c2cc1C ZINC000139902522 454813254 /nfs/dbraw/zinc/81/32/54/454813254.db2.gz ANKPCWCBGZRWER-APWZRJJASA-N 2 1 340.467 3.326 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000163119060 454824231 /nfs/dbraw/zinc/82/42/31/454824231.db2.gz CMLJMPYQVACTRX-FQEVSTJZSA-N 2 1 327.472 3.344 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000163119060 454824235 /nfs/dbraw/zinc/82/42/35/454824235.db2.gz CMLJMPYQVACTRX-FQEVSTJZSA-N 2 1 327.472 3.344 20 0 EGADMP Cc1[nH+]ccn1CCCCN1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000125497362 454826596 /nfs/dbraw/zinc/82/65/96/454826596.db2.gz NCAUGFFLBZUOPS-GOSISDBHSA-N 2 1 335.398 3.323 20 0 EGADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000163239592 454832800 /nfs/dbraw/zinc/83/28/00/454832800.db2.gz FAPXZPGYVLJTOU-GCGJSEPQSA-N 3 1 329.532 3.358 20 0 EGADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000163239592 454832805 /nfs/dbraw/zinc/83/28/05/454832805.db2.gz FAPXZPGYVLJTOU-GCGJSEPQSA-N 3 1 329.532 3.358 20 0 EGADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000163239592 454832807 /nfs/dbraw/zinc/83/28/07/454832807.db2.gz FAPXZPGYVLJTOU-GCGJSEPQSA-N 3 1 329.532 3.358 20 0 EGADMP CC1(C)C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C(C)(C)O1 ZINC000182237281 455469028 /nfs/dbraw/zinc/46/90/28/455469028.db2.gz VEEQYGRFUOJDLP-MOPGFXCFSA-N 2 1 346.515 3.079 20 0 EGADMP CCC(CC)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163970107 454870937 /nfs/dbraw/zinc/87/09/37/454870937.db2.gz BJKSSWVBLQZBOQ-UHFFFAOYSA-N 2 1 334.504 3.454 20 0 EGADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCSC1 ZINC000154310214 454884131 /nfs/dbraw/zinc/88/41/31/454884131.db2.gz RGOYVNABSLWMNX-GOSISDBHSA-N 2 1 347.528 3.048 20 0 EGADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C1CC1 ZINC000164528821 454884581 /nfs/dbraw/zinc/88/45/81/454884581.db2.gz JYEMHNLYYRZZGM-HXUWFJFHSA-N 2 1 328.456 3.426 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000164634421 454886463 /nfs/dbraw/zinc/88/64/63/454886463.db2.gz VVPFTIWZRFLQDV-HNNXBMFYSA-N 2 1 329.444 3.484 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)C(C)(C)c2ccccc2)CC1 ZINC000154453777 454898181 /nfs/dbraw/zinc/89/81/81/454898181.db2.gz WTDBMVSHWLUTIX-LJQANCHMSA-N 2 1 331.548 3.360 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000154464864 454899139 /nfs/dbraw/zinc/89/91/39/454899139.db2.gz CSKYOCFEHLBGTE-CLCXKQKWSA-N 2 1 326.488 3.119 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000154531115 454904474 /nfs/dbraw/zinc/90/44/74/454904474.db2.gz VZEIJYZVJDAMFX-KRWDZBQOSA-N 2 1 332.488 3.416 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000154531115 454904477 /nfs/dbraw/zinc/90/44/77/454904477.db2.gz VZEIJYZVJDAMFX-KRWDZBQOSA-N 2 1 332.488 3.416 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000154531115 454904481 /nfs/dbraw/zinc/90/44/81/454904481.db2.gz VZEIJYZVJDAMFX-KRWDZBQOSA-N 2 1 332.488 3.416 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000154531115 454904485 /nfs/dbraw/zinc/90/44/85/454904485.db2.gz VZEIJYZVJDAMFX-KRWDZBQOSA-N 2 1 332.488 3.416 20 0 EGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000165998037 454906902 /nfs/dbraw/zinc/90/69/02/454906902.db2.gz WULYBKUZSWBNJV-OXJNMPFZSA-N 3 1 344.503 3.188 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000166435003 454911560 /nfs/dbraw/zinc/91/15/60/454911560.db2.gz CMLBHYFMMPWEEZ-CYBMUJFWSA-N 2 1 348.288 3.429 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(OC[C@@H]2CCOC2)c1 ZINC000167188031 454919262 /nfs/dbraw/zinc/91/92/62/454919262.db2.gz OPRVTUDHLKSUAE-PNYFIKQUSA-N 2 1 346.515 3.229 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(OC[C@@H]2CCOC2)c1 ZINC000167188031 454919267 /nfs/dbraw/zinc/91/92/67/454919267.db2.gz OPRVTUDHLKSUAE-PNYFIKQUSA-N 2 1 346.515 3.229 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OC(F)F ZINC000178638130 454965833 /nfs/dbraw/zinc/96/58/33/454965833.db2.gz YVUHMDZHJMOBLP-CABCVRRESA-N 2 1 340.414 3.213 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OC(F)F ZINC000178638130 454965837 /nfs/dbraw/zinc/96/58/37/454965837.db2.gz YVUHMDZHJMOBLP-CABCVRRESA-N 2 1 340.414 3.213 20 0 EGADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OC(F)F ZINC000178638130 454965839 /nfs/dbraw/zinc/96/58/39/454965839.db2.gz YVUHMDZHJMOBLP-CABCVRRESA-N 2 1 340.414 3.213 20 0 EGADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1OC(F)F ZINC000178638130 454965842 /nfs/dbraw/zinc/96/58/42/454965842.db2.gz YVUHMDZHJMOBLP-CABCVRRESA-N 2 1 340.414 3.213 20 0 EGADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3ccc(CO)o3)cc2)CC1 ZINC000151373032 454976226 /nfs/dbraw/zinc/97/62/26/454976226.db2.gz ZOFWGVCYSVRMRM-UHFFFAOYSA-N 2 1 343.471 3.162 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1)C1CC1 ZINC000155736357 455038315 /nfs/dbraw/zinc/03/83/15/455038315.db2.gz RTWGNDYUEUZZCS-HXUWFJFHSA-N 2 1 343.515 3.308 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000179398554 455044977 /nfs/dbraw/zinc/04/49/77/455044977.db2.gz UAABNMPQRZINLV-UHFFFAOYSA-N 2 1 340.471 3.322 20 0 EGADMP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000179482246 455051294 /nfs/dbraw/zinc/05/12/94/455051294.db2.gz NERDVHZHBKTPJG-QAPCUYQASA-N 2 1 327.428 3.048 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000179636580 455062835 /nfs/dbraw/zinc/06/28/35/455062835.db2.gz ZVJVTUNOPFDDTI-GOSISDBHSA-N 2 1 325.456 3.044 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000179636580 455062837 /nfs/dbraw/zinc/06/28/37/455062837.db2.gz ZVJVTUNOPFDDTI-GOSISDBHSA-N 2 1 325.456 3.044 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000152053089 455067027 /nfs/dbraw/zinc/06/70/27/455067027.db2.gz GVKXUCWJTGWFAQ-GJYPPUQNSA-N 2 1 334.479 3.192 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)c2cc1C ZINC000118842592 455114324 /nfs/dbraw/zinc/11/43/24/455114324.db2.gz IKTXUWQKDVAOKH-INIZCTEOSA-N 2 1 328.456 3.183 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)c2cc1C ZINC000118842592 455114327 /nfs/dbraw/zinc/11/43/27/455114327.db2.gz IKTXUWQKDVAOKH-INIZCTEOSA-N 2 1 328.456 3.183 20 0 EGADMP Cc1cc2oc(=O)cc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)c2cc1C ZINC000118842592 455114330 /nfs/dbraw/zinc/11/43/30/455114330.db2.gz IKTXUWQKDVAOKH-INIZCTEOSA-N 2 1 328.456 3.183 20 0 EGADMP Cc1cc2oc(=O)cc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)c2cc1C ZINC000118842592 455114333 /nfs/dbraw/zinc/11/43/33/455114333.db2.gz IKTXUWQKDVAOKH-INIZCTEOSA-N 2 1 328.456 3.183 20 0 EGADMP C[C@H](NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000156659008 455142383 /nfs/dbraw/zinc/14/23/83/455142383.db2.gz WQZDRAABOKAION-MSOLQXFVSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@H](NCC[N@H+]1CCC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000156659008 455142385 /nfs/dbraw/zinc/14/23/85/455142385.db2.gz WQZDRAABOKAION-MSOLQXFVSA-N 2 1 333.520 3.010 20 0 EGADMP CCCC[C@@H](CC)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156954878 455158651 /nfs/dbraw/zinc/15/86/51/455158651.db2.gz DDBVYIOECOXSGF-VQTJNVASSA-N 2 1 345.531 3.442 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2cccs2)n1 ZINC000180470941 455176471 /nfs/dbraw/zinc/17/64/71/455176471.db2.gz ZTDVQSFMZKDQCF-INIZCTEOSA-N 2 1 344.528 3.456 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2cccs2)n1 ZINC000180470941 455176483 /nfs/dbraw/zinc/17/64/83/455176483.db2.gz ZTDVQSFMZKDQCF-INIZCTEOSA-N 2 1 344.528 3.456 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237495956 455189416 /nfs/dbraw/zinc/18/94/16/455189416.db2.gz HCIBYKHVSNICEM-PXNSSMCTSA-N 2 1 343.515 3.190 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000245417392 455293127 /nfs/dbraw/zinc/29/31/27/455293127.db2.gz FZROQMUBOQBNLU-HZPDHXFCSA-N 2 1 349.544 3.399 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000157634368 455215242 /nfs/dbraw/zinc/21/52/42/455215242.db2.gz KRQMQENAJOABDA-BBTUJRGHSA-N 3 1 329.532 3.348 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000157634368 455215247 /nfs/dbraw/zinc/21/52/47/455215247.db2.gz KRQMQENAJOABDA-BBTUJRGHSA-N 3 1 329.532 3.348 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000157634368 455215251 /nfs/dbraw/zinc/21/52/51/455215251.db2.gz KRQMQENAJOABDA-BBTUJRGHSA-N 3 1 329.532 3.348 20 0 EGADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000157634368 455215255 /nfs/dbraw/zinc/21/52/55/455215255.db2.gz KRQMQENAJOABDA-BBTUJRGHSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000157634368 455215261 /nfs/dbraw/zinc/21/52/61/455215261.db2.gz KRQMQENAJOABDA-BBTUJRGHSA-N 2 1 329.532 3.348 20 0 EGADMP C[N@H+]1CCCC[C@H](CN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657176 460666276 /nfs/dbraw/zinc/66/62/76/460666276.db2.gz KUTFAXOZLOFRDX-WOJBJXKFSA-N 2 1 329.532 3.361 20 0 EGADMP C[NH+]1CCCC[C@H](CN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657176 460666283 /nfs/dbraw/zinc/66/62/83/460666283.db2.gz KUTFAXOZLOFRDX-WOJBJXKFSA-N 2 1 329.532 3.361 20 0 EGADMP C[NH+]1CCCC[C@H](CN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657176 460666289 /nfs/dbraw/zinc/66/62/89/460666289.db2.gz KUTFAXOZLOFRDX-WOJBJXKFSA-N 2 1 329.532 3.361 20 0 EGADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657176 460666294 /nfs/dbraw/zinc/66/62/94/460666294.db2.gz KUTFAXOZLOFRDX-WOJBJXKFSA-N 2 1 329.532 3.361 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657176 460666299 /nfs/dbraw/zinc/66/62/99/460666299.db2.gz KUTFAXOZLOFRDX-WOJBJXKFSA-N 2 1 329.532 3.361 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000181163168 455297433 /nfs/dbraw/zinc/29/74/33/455297433.db2.gz IMVRDFSSWYOXHY-UXHICEINSA-N 2 1 329.532 3.171 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000181163168 455297436 /nfs/dbraw/zinc/29/74/36/455297436.db2.gz IMVRDFSSWYOXHY-UXHICEINSA-N 2 1 329.532 3.171 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000181163168 455297441 /nfs/dbraw/zinc/29/74/41/455297441.db2.gz IMVRDFSSWYOXHY-UXHICEINSA-N 2 1 329.532 3.171 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC[N@@H+]1C ZINC000181249399 455307455 /nfs/dbraw/zinc/30/74/55/455307455.db2.gz XABASHUGIPSPTK-MGPQQGTHSA-N 2 1 325.859 3.130 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC[N@H+]1C ZINC000181249399 455307458 /nfs/dbraw/zinc/30/74/58/455307458.db2.gz XABASHUGIPSPTK-MGPQQGTHSA-N 2 1 325.859 3.130 20 0 EGADMP CCOC(=O)CCCCC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000265457858 455328365 /nfs/dbraw/zinc/32/83/65/455328365.db2.gz MIYLJWDQKDBGKF-QGZVFWFLSA-N 2 1 333.476 3.247 20 0 EGADMP CCOC(=O)CCCCC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000265457858 455328368 /nfs/dbraw/zinc/32/83/68/455328368.db2.gz MIYLJWDQKDBGKF-QGZVFWFLSA-N 2 1 333.476 3.247 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)N2CCCCC2)CC1 ZINC000158895562 455335803 /nfs/dbraw/zinc/33/58/03/455335803.db2.gz UJBBUSQQTKZPCI-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC(F)F ZINC000246173279 455440422 /nfs/dbraw/zinc/44/04/22/455440422.db2.gz MPWIOXGFOIVHJG-GXTWGEPZSA-N 2 1 328.403 3.259 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC(F)F ZINC000246173279 455440428 /nfs/dbraw/zinc/44/04/28/455440428.db2.gz MPWIOXGFOIVHJG-GXTWGEPZSA-N 2 1 328.403 3.259 20 0 EGADMP c1cc(OCC2CC2)ccc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000191123703 455447738 /nfs/dbraw/zinc/44/77/38/455447738.db2.gz LRNPJPWDMJVSED-LJQANCHMSA-N 2 1 344.499 3.066 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000246368056 455478224 /nfs/dbraw/zinc/47/82/24/455478224.db2.gz IZQURMMKYTYKMZ-ZFWWWQNUSA-N 2 1 330.394 3.404 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000191480108 455488771 /nfs/dbraw/zinc/48/87/71/455488771.db2.gz JRBVBIMDUWKBAO-KSZLIROESA-N 2 1 348.535 3.336 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000191480108 455488777 /nfs/dbraw/zinc/48/87/77/455488777.db2.gz JRBVBIMDUWKBAO-KSZLIROESA-N 2 1 348.535 3.336 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)CO[C@H]2CCOC2)cc1 ZINC000247096929 455558556 /nfs/dbraw/zinc/55/85/56/455558556.db2.gz OKUROIQLZXJHJD-VCBZYWHSSA-N 2 1 329.444 3.025 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000247109339 455560181 /nfs/dbraw/zinc/56/01/81/455560181.db2.gz SXRAPJNJHKVVDK-PBFPGSCMSA-N 2 1 337.895 3.295 20 0 EGADMP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC(F)F ZINC000247110130 455560419 /nfs/dbraw/zinc/56/04/19/455560419.db2.gz TTYPJQSYSLMEKZ-GZBFAFLISA-N 2 1 342.430 3.157 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000247166986 455568290 /nfs/dbraw/zinc/56/82/90/455568290.db2.gz ULHWWBCSZSHVRS-NUJGCVRESA-N 2 1 348.487 3.203 20 0 EGADMP Cc1ccc(C)c(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185664863 455591790 /nfs/dbraw/zinc/59/17/90/455591790.db2.gz FFGYMMBYYQNONN-ROUUACIJSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1ccc(C)c(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185664863 455591793 /nfs/dbraw/zinc/59/17/93/455591793.db2.gz FFGYMMBYYQNONN-ROUUACIJSA-N 2 1 343.515 3.485 20 0 EGADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000277561312 455597848 /nfs/dbraw/zinc/59/78/48/455597848.db2.gz PKXFXOYFCFFQFU-FQEVSTJZSA-N 2 1 341.499 3.029 20 0 EGADMP C[C@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185696546 455599748 /nfs/dbraw/zinc/59/97/48/455599748.db2.gz CIRHCZSAHGBIEH-STQMWFEESA-N 2 1 344.425 3.182 20 0 EGADMP C[C@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185696546 455599752 /nfs/dbraw/zinc/59/97/52/455599752.db2.gz CIRHCZSAHGBIEH-STQMWFEESA-N 2 1 344.425 3.182 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185732975 455608699 /nfs/dbraw/zinc/60/86/99/455608699.db2.gz DCQDFJQTWKAHHA-FGTMMUONSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185732975 455608705 /nfs/dbraw/zinc/60/87/05/455608705.db2.gz DCQDFJQTWKAHHA-FGTMMUONSA-N 2 1 349.563 3.409 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000268184068 455612005 /nfs/dbraw/zinc/61/20/05/455612005.db2.gz JMRDUNMDUMWFLU-UHFFFAOYSA-N 2 1 337.471 3.465 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Br)cc2)CCCO1 ZINC000277623218 455617182 /nfs/dbraw/zinc/61/71/82/455617182.db2.gz BOXPDYJAQINSMX-CQSZACIVSA-N 2 1 341.293 3.040 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(C(F)(F)F)c2)CCCO1 ZINC000277640190 455621768 /nfs/dbraw/zinc/62/17/68/455621768.db2.gz CUGNMORXGVJPNO-CQSZACIVSA-N 2 1 330.394 3.296 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(Br)c2)CCCO1 ZINC000277735681 455650389 /nfs/dbraw/zinc/65/03/89/455650389.db2.gz JWHRQUMMCHODCV-CQSZACIVSA-N 2 1 341.293 3.040 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000271476512 455651897 /nfs/dbraw/zinc/65/18/97/455651897.db2.gz JSPVSYNLERCRDR-TUKIKUTGSA-N 2 1 331.287 3.347 20 0 EGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000284244493 455656695 /nfs/dbraw/zinc/65/66/95/455656695.db2.gz VHBPZGHDSSLKHS-LEWJYISDSA-N 2 1 340.515 3.062 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000192658701 455663381 /nfs/dbraw/zinc/66/33/81/455663381.db2.gz PNTYTADILDPETD-GOEBONIOSA-N 2 1 346.471 3.216 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000192658701 455663384 /nfs/dbraw/zinc/66/33/84/455663384.db2.gz PNTYTADILDPETD-GOEBONIOSA-N 2 1 346.471 3.216 20 0 EGADMP Cc1ccncc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000271538892 455677292 /nfs/dbraw/zinc/67/72/92/455677292.db2.gz YPPOSLQNSVSBSB-ROUUACIJSA-N 2 1 339.483 3.462 20 0 EGADMP Cc1ccncc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000271538892 455677295 /nfs/dbraw/zinc/67/72/95/455677295.db2.gz YPPOSLQNSVSBSB-ROUUACIJSA-N 2 1 339.483 3.462 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(-c3cccnc3)c2)CCCO1 ZINC000277846674 455684222 /nfs/dbraw/zinc/68/42/22/455684222.db2.gz MHKRUGVHBHOHQI-SFHVURJKSA-N 2 1 339.483 3.339 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cnccc3C)CC2)nc(C)[nH+]1 ZINC000271565920 455685820 /nfs/dbraw/zinc/68/58/20/455685820.db2.gz OTDNPSBPGDORSY-HNNXBMFYSA-N 2 1 325.460 3.116 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OC(F)(F)F)cc2)CCCO1 ZINC000277855829 455687887 /nfs/dbraw/zinc/68/78/87/455687887.db2.gz MVTLNRMMSQAANA-CQSZACIVSA-N 2 1 346.393 3.176 20 0 EGADMP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](CC)CC)cc1)c1nccn1C ZINC000271681813 455720474 /nfs/dbraw/zinc/72/04/74/455720474.db2.gz IPZLCWXQDVOMDZ-LJQANCHMSA-N 2 1 344.503 3.382 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c(-n2cc(Cl)cn2)n1 ZINC000248698527 455726684 /nfs/dbraw/zinc/72/66/84/455726684.db2.gz LYJMBJNPKUIANW-SUYBPPKGSA-N 2 1 347.894 3.047 20 0 EGADMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2CCc3ccccc3NC2=O)C1 ZINC000248912589 455738949 /nfs/dbraw/zinc/73/89/49/455738949.db2.gz YMRJNGDIIXDISD-AEFFLSMTSA-N 2 1 338.455 3.036 20 0 EGADMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2CCc3ccccc3NC2=O)C1 ZINC000248912589 455738951 /nfs/dbraw/zinc/73/89/51/455738951.db2.gz YMRJNGDIIXDISD-AEFFLSMTSA-N 2 1 338.455 3.036 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000284846245 455751430 /nfs/dbraw/zinc/75/14/30/455751430.db2.gz RGRPDZAKIIHBTL-HZPDHXFCSA-N 2 1 338.293 3.369 20 0 EGADMP Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000268990026 455755618 /nfs/dbraw/zinc/75/56/18/455755618.db2.gz MESHYLYKMDAFIH-RDTXWAMCSA-N 2 1 325.412 3.466 20 0 EGADMP CCCc1nc(CN[C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)cs1 ZINC000249470645 455758072 /nfs/dbraw/zinc/75/80/72/455758072.db2.gz UIXLVPTUNPKABC-WBVHZDCISA-N 2 1 339.549 3.322 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269029169 455767594 /nfs/dbraw/zinc/76/75/94/455767594.db2.gz RLXXZFSBMQWZSQ-LAUBAEHRSA-N 2 1 327.516 3.113 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)nnn1-c1ccc(Cl)cc1 ZINC000271864703 455792542 /nfs/dbraw/zinc/79/25/42/455792542.db2.gz LDKRQWGPEQNIDO-CYBMUJFWSA-N 2 1 345.878 3.142 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)nnn1-c1ccc(Cl)cc1 ZINC000271864703 455792550 /nfs/dbraw/zinc/79/25/50/455792550.db2.gz LDKRQWGPEQNIDO-CYBMUJFWSA-N 2 1 345.878 3.142 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CCN1C(=O)OC(C)(C)C ZINC000278293265 455808452 /nfs/dbraw/zinc/80/84/52/455808452.db2.gz BYMBDSXQMJPAIS-GOEBONIOSA-N 2 1 348.491 3.025 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4C[C@@H]5OCCC[C@@H]45)[C@@H]3C2)cc1 ZINC000253233054 455831963 /nfs/dbraw/zinc/83/19/63/455831963.db2.gz LQAXPGPFUIIMPX-ZEOIANDVSA-N 2 1 340.511 3.444 20 0 EGADMP COc1cccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)[NH+]2CCCC2)c1 ZINC000253370048 455835098 /nfs/dbraw/zinc/83/50/98/455835098.db2.gz LGAGECULEWBOGN-ZJOUEHCJSA-N 2 1 343.515 3.049 20 0 EGADMP COc1cccc([C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)N2CCCC2)c1 ZINC000253370048 455835103 /nfs/dbraw/zinc/83/51/03/455835103.db2.gz LGAGECULEWBOGN-ZJOUEHCJSA-N 2 1 343.515 3.049 20 0 EGADMP COc1cccc([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)N2CCCC2)c1 ZINC000253370048 455835106 /nfs/dbraw/zinc/83/51/06/455835106.db2.gz LGAGECULEWBOGN-ZJOUEHCJSA-N 2 1 343.515 3.049 20 0 EGADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000253554888 455853368 /nfs/dbraw/zinc/85/33/68/455853368.db2.gz WVAZCPFYEUILPY-OXJNMPFZSA-N 2 1 337.467 3.389 20 0 EGADMP O=c1[nH]c2ccccc2cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000253554888 455853370 /nfs/dbraw/zinc/85/33/70/455853370.db2.gz WVAZCPFYEUILPY-OXJNMPFZSA-N 2 1 337.467 3.389 20 0 EGADMP O=c1[nH]c2ccccc2cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000253554888 455853371 /nfs/dbraw/zinc/85/33/71/455853371.db2.gz WVAZCPFYEUILPY-OXJNMPFZSA-N 2 1 337.467 3.389 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272191930 455871927 /nfs/dbraw/zinc/87/19/27/455871927.db2.gz MKJPZFRZWMFXHV-YLJYHZDGSA-N 2 1 338.499 3.148 20 0 EGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000187164592 455876472 /nfs/dbraw/zinc/87/64/72/455876472.db2.gz GQQRFYMTBXZUGH-NRFANRHFSA-N 2 1 331.548 3.117 20 0 EGADMP CCC[NH+]1CCC(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272271692 455898562 /nfs/dbraw/zinc/89/85/62/455898562.db2.gz BOGPRVJTUZIYGO-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272271692 455898564 /nfs/dbraw/zinc/89/85/64/455898564.db2.gz BOGPRVJTUZIYGO-ICSRJNTNSA-N 3 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272271692 455898566 /nfs/dbraw/zinc/89/85/66/455898566.db2.gz BOGPRVJTUZIYGO-ICSRJNTNSA-N 3 1 329.532 3.361 20 0 EGADMP COC(=O)c1ccc(CN(C)CCC[N@@H+](C)Cc2ccco2)cc1F ZINC000285696735 455898875 /nfs/dbraw/zinc/89/88/75/455898875.db2.gz ORULACCRVARWMO-UHFFFAOYSA-N 2 1 348.418 3.159 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCc3nc(Cl)ccc32)CCCO1 ZINC000296393644 455925875 /nfs/dbraw/zinc/92/58/75/455925875.db2.gz JZVDWWQKVORONF-GDBMZVCRSA-N 2 1 337.895 3.203 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3nc(Cl)ccc32)CCCO1 ZINC000296393644 455925879 /nfs/dbraw/zinc/92/58/79/455925879.db2.gz JZVDWWQKVORONF-GDBMZVCRSA-N 2 1 337.895 3.203 20 0 EGADMP COC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)C1CCOCC1 ZINC000187876033 455963799 /nfs/dbraw/zinc/96/37/99/455963799.db2.gz GMRLZDPRBYRHFM-HXUWFJFHSA-N 2 1 334.504 3.058 20 0 EGADMP c1cc2c(ncnc2N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC000286283229 456016255 /nfs/dbraw/zinc/01/62/55/456016255.db2.gz IESXMQFANVTUDQ-FQEVSTJZSA-N 2 1 333.439 3.060 20 0 EGADMP c1cc2c(nc[nH+]c2N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC000286283229 456016257 /nfs/dbraw/zinc/01/62/57/456016257.db2.gz IESXMQFANVTUDQ-FQEVSTJZSA-N 2 1 333.439 3.060 20 0 EGADMP c1cc2c(nc[nH+]c2N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC000286283229 456016260 /nfs/dbraw/zinc/01/62/60/456016260.db2.gz IESXMQFANVTUDQ-FQEVSTJZSA-N 2 1 333.439 3.060 20 0 EGADMP CC(C)(CCO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272657004 456028710 /nfs/dbraw/zinc/02/87/10/456028710.db2.gz GWYZKKJMHQPLKI-XUVXKRRUSA-N 2 1 330.516 3.285 20 0 EGADMP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272677533 456036436 /nfs/dbraw/zinc/03/64/36/456036436.db2.gz MFZKMMUCMDWRJZ-DQDQTZLSSA-N 2 1 348.556 3.034 20 0 EGADMP O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1c(Cl)cccc1Cl ZINC000262498994 456040407 /nfs/dbraw/zinc/04/04/07/456040407.db2.gz LUOSBXYBGFKJAP-SMDDNHRTSA-N 2 1 342.270 3.006 20 0 EGADMP O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1c(Cl)cccc1Cl ZINC000262498994 456040415 /nfs/dbraw/zinc/04/04/15/456040415.db2.gz LUOSBXYBGFKJAP-SMDDNHRTSA-N 2 1 342.270 3.006 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H](C)[C@H]3CCC[NH2+]C3)c2C1 ZINC000262655744 456050516 /nfs/dbraw/zinc/05/05/16/456050516.db2.gz UILIVOVWVOGMMQ-CVEARBPZSA-N 2 1 329.488 3.377 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H](C)[C@H]3CCC[NH2+]C3)c2C1 ZINC000262655744 456050520 /nfs/dbraw/zinc/05/05/20/456050520.db2.gz UILIVOVWVOGMMQ-CVEARBPZSA-N 2 1 329.488 3.377 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000262653095 456051150 /nfs/dbraw/zinc/05/11/50/456051150.db2.gz SCQSNBUVYKBVLA-OALUTQOASA-N 2 1 331.504 3.052 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263258856 456115793 /nfs/dbraw/zinc/11/57/93/456115793.db2.gz QSWBEJZHGXWGRS-UYAOXDASSA-N 2 1 331.504 3.051 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000263302301 456122858 /nfs/dbraw/zinc/12/28/58/456122858.db2.gz ZSPDFDHODUEHKQ-UHOSZYNNSA-N 2 1 331.504 3.093 20 0 EGADMP O[C@H](CNc1cc[nH+]c2ccsc21)C[N@@H+]1CCc2ccccc2C1 ZINC000301518798 456135197 /nfs/dbraw/zinc/13/51/97/456135197.db2.gz KNQQAQDFOZVPJM-MRXNPFEDSA-N 2 1 339.464 3.127 20 0 EGADMP O[C@H](CNc1cc[nH+]c2ccsc21)C[N@H+]1CCc2ccccc2C1 ZINC000301518798 456135204 /nfs/dbraw/zinc/13/52/04/456135204.db2.gz KNQQAQDFOZVPJM-MRXNPFEDSA-N 2 1 339.464 3.127 20 0 EGADMP CCN(Cc1c(C)n[nH]c1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000271183656 456160211 /nfs/dbraw/zinc/16/02/11/456160211.db2.gz LLEXUNALKBEDBV-IBGZPJMESA-N 2 1 326.488 3.371 20 0 EGADMP CC[N@@H+](Cc1c(C)n[nH]c1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000271183656 456160216 /nfs/dbraw/zinc/16/02/16/456160216.db2.gz LLEXUNALKBEDBV-IBGZPJMESA-N 2 1 326.488 3.371 20 0 EGADMP CC[N@H+](Cc1c(C)n[nH]c1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000271183656 456160224 /nfs/dbraw/zinc/16/02/24/456160224.db2.gz LLEXUNALKBEDBV-IBGZPJMESA-N 2 1 326.488 3.371 20 0 EGADMP CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000281239064 456175309 /nfs/dbraw/zinc/17/53/09/456175309.db2.gz VDLALOADBGYANQ-MAUKXSAKSA-N 2 1 340.471 3.090 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281289898 456191603 /nfs/dbraw/zinc/19/16/03/456191603.db2.gz JEXKPLQOQCVJND-UHFFFAOYSA-N 2 1 335.517 3.155 20 0 EGADMP Cc1nnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000289959564 456195340 /nfs/dbraw/zinc/19/53/40/456195340.db2.gz WWAXYAIMPCLZTJ-RHSMWYFYSA-N 2 1 330.501 3.032 20 0 EGADMP c1ccc2c(c1)CC1(CCOCC1)[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297446136 456222635 /nfs/dbraw/zinc/22/26/35/456222635.db2.gz OPKJPZMCAFMPAU-FQEVSTJZSA-N 2 1 326.484 3.297 20 0 EGADMP CCOc1cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc(Cl)c1O ZINC000297486226 456232995 /nfs/dbraw/zinc/23/29/95/456232995.db2.gz SSWIMKBJFXSNCB-GOSISDBHSA-N 2 1 338.879 3.362 20 0 EGADMP COCCOCc1ccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000290165625 456256660 /nfs/dbraw/zinc/25/66/60/456256660.db2.gz XYWCSCFLAMFIQX-FQEVSTJZSA-N 2 1 334.504 3.156 20 0 EGADMP COCCOCc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000290165625 456256662 /nfs/dbraw/zinc/25/66/62/456256662.db2.gz XYWCSCFLAMFIQX-FQEVSTJZSA-N 2 1 334.504 3.156 20 0 EGADMP COCCOCc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000290165625 456256666 /nfs/dbraw/zinc/25/66/66/456256666.db2.gz XYWCSCFLAMFIQX-FQEVSTJZSA-N 2 1 334.504 3.156 20 0 EGADMP COCCOCc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000290165625 456256669 /nfs/dbraw/zinc/25/66/69/456256669.db2.gz XYWCSCFLAMFIQX-FQEVSTJZSA-N 2 1 334.504 3.156 20 0 EGADMP COCCOCc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000290165625 456256672 /nfs/dbraw/zinc/25/66/72/456256672.db2.gz XYWCSCFLAMFIQX-FQEVSTJZSA-N 2 1 334.504 3.156 20 0 EGADMP COc1ncccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000290204599 456266402 /nfs/dbraw/zinc/26/64/02/456266402.db2.gz PJZIBBCKSXHDRD-YLJYHZDGSA-N 2 1 339.483 3.275 20 0 EGADMP COc1ncccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000290204599 456266406 /nfs/dbraw/zinc/26/64/06/456266406.db2.gz PJZIBBCKSXHDRD-YLJYHZDGSA-N 2 1 339.483 3.275 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2-n2cccn2)C[C@@H]1c1ccccc1 ZINC000340173130 456288120 /nfs/dbraw/zinc/28/81/20/456288120.db2.gz OOGSKDGBUHSTBG-VQTJNVASSA-N 2 1 347.466 3.192 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2-n2cccn2)C[C@@H]1c1ccccc1 ZINC000340173130 456288128 /nfs/dbraw/zinc/28/81/28/456288128.db2.gz OOGSKDGBUHSTBG-VQTJNVASSA-N 2 1 347.466 3.192 20 0 EGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C(C)C)C(C)C)CC1 ZINC000352770315 456292386 /nfs/dbraw/zinc/29/23/86/456292386.db2.gz RFJKSDKHXNKLDH-UHFFFAOYSA-N 2 1 345.531 3.148 20 0 EGADMP COc1ccc(OC(F)F)c(C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000290440703 456328758 /nfs/dbraw/zinc/32/87/58/456328758.db2.gz LUVRMJPGYYKFTK-UHFFFAOYSA-N 2 1 339.386 3.324 20 0 EGADMP COc1ccc(OC(F)F)c(C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000290440703 456328762 /nfs/dbraw/zinc/32/87/62/456328762.db2.gz LUVRMJPGYYKFTK-UHFFFAOYSA-N 2 1 339.386 3.324 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000340244450 456337440 /nfs/dbraw/zinc/33/74/40/456337440.db2.gz AMJWOCWQYIZFDS-UXHICEINSA-N 2 1 326.488 3.397 20 0 EGADMP CC[C@H](Nc1cc[nH+]c(C)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000302367467 456338138 /nfs/dbraw/zinc/33/81/38/456338138.db2.gz BFFJANBJPANWCQ-PMACEKPBSA-N 2 1 325.456 3.482 20 0 EGADMP CC[C@H](Nc1cc[nH+]c(C)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000302367467 456338145 /nfs/dbraw/zinc/33/81/45/456338145.db2.gz BFFJANBJPANWCQ-PMACEKPBSA-N 2 1 325.456 3.482 20 0 EGADMP COc1cc2[nH+]ccc(N(C)C[C@H]3CCC[N@@H+](C)C3)c2cc1OC ZINC000298201281 456389736 /nfs/dbraw/zinc/38/97/36/456389736.db2.gz IFZNVQQAPBHSRS-AWEZNQCLSA-N 2 1 329.444 3.030 20 0 EGADMP CCCc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000337576076 456392961 /nfs/dbraw/zinc/39/29/61/456392961.db2.gz IOICKJIVQOGIBQ-HXUWFJFHSA-N 2 1 345.531 3.127 20 0 EGADMP COCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000282029635 456393644 /nfs/dbraw/zinc/39/36/44/456393644.db2.gz FJMKQQJHUXFQPO-TZIWHRDSSA-N 2 1 330.516 3.488 20 0 EGADMP Cc1cc(C)n(CC[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000276196202 456410823 /nfs/dbraw/zinc/41/08/23/456410823.db2.gz IZLKSJCMOBMUFA-LFUKPOHLSA-N 2 1 340.515 3.246 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340369592 456417315 /nfs/dbraw/zinc/41/73/15/456417315.db2.gz FJGMYLFCAMIFRL-PZJWPPBQSA-N 3 1 327.516 3.286 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340369592 456417322 /nfs/dbraw/zinc/41/73/22/456417322.db2.gz FJGMYLFCAMIFRL-PZJWPPBQSA-N 3 1 327.516 3.286 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000348084833 456465965 /nfs/dbraw/zinc/46/59/65/456465965.db2.gz MEGDXOKRMWKLCW-FGTMMUONSA-N 2 1 341.503 3.286 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000282290896 456467910 /nfs/dbraw/zinc/46/79/10/456467910.db2.gz LSMGKBSMBDGKIB-KRWDZBQOSA-N 2 1 341.499 3.114 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(-n2ccnn2)c1 ZINC000348087508 456469338 /nfs/dbraw/zinc/46/93/38/456469338.db2.gz PHQGWSRGNYXUNT-DLBZAZTESA-N 2 1 327.476 3.182 20 0 EGADMP CC[N@@H+]1C[C@@H](C)[C@H](NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000343256735 456487761 /nfs/dbraw/zinc/48/77/61/456487761.db2.gz PXAYVWRVNNNWGM-WIYYLYMNSA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000343256735 456487766 /nfs/dbraw/zinc/48/77/66/456487766.db2.gz PXAYVWRVNNNWGM-WIYYLYMNSA-N 2 1 329.532 3.348 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000298596331 456497468 /nfs/dbraw/zinc/49/74/68/456497468.db2.gz YTVSOTJYFMQHNZ-RBUKOAKNSA-N 2 1 345.531 3.122 20 0 EGADMP COc1ccc([C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C(C)C)cc1 ZINC000282392123 456499717 /nfs/dbraw/zinc/49/97/17/456499717.db2.gz RESYRCBQXWIWGM-IBGZPJMESA-N 2 1 333.520 3.008 20 0 EGADMP CO[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCCC1 ZINC000657768805 462258230 /nfs/dbraw/zinc/25/82/30/462258230.db2.gz QTUODKVABMBXNS-NRFANRHFSA-N 2 1 330.516 3.488 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000298676383 456513380 /nfs/dbraw/zinc/51/33/80/456513380.db2.gz CEPSMESBPQHNPO-CYBMUJFWSA-N 2 1 334.851 3.242 20 0 EGADMP Fc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC000665266433 462376466 /nfs/dbraw/zinc/37/64/66/462376466.db2.gz AZDZQLWIONAFDU-GUDVDZBRSA-N 2 1 326.415 3.212 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1)[C@H](C)O ZINC000307516832 456569112 /nfs/dbraw/zinc/56/91/12/456569112.db2.gz SXQSWNIUULDUBH-MOPGFXCFSA-N 2 1 326.484 3.438 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000310124043 456580448 /nfs/dbraw/zinc/58/04/48/456580448.db2.gz VVMQDJWDZSSSTG-XYTVBORESA-N 2 1 339.524 3.235 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000310124043 456580451 /nfs/dbraw/zinc/58/04/51/456580451.db2.gz VVMQDJWDZSSSTG-XYTVBORESA-N 2 1 339.524 3.235 20 0 EGADMP COCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)c1ccccc1 ZINC000282835404 456640674 /nfs/dbraw/zinc/64/06/74/456640674.db2.gz ZPDUYVNVROSHQG-FQEVSTJZSA-N 2 1 347.547 3.112 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000277031918 456660300 /nfs/dbraw/zinc/66/03/00/456660300.db2.gz BEYBBVAOGAYGMO-INIZCTEOSA-N 2 1 348.878 3.349 20 0 EGADMP Cc1ccc2c(C[N@@H+](C)C3CC[NH+](C(C)C)CC3)cc(=O)oc2c1 ZINC000299519417 456716301 /nfs/dbraw/zinc/71/63/01/456716301.db2.gz DOBMWHLKTQQKIY-UHFFFAOYSA-N 2 1 328.456 3.406 20 0 EGADMP Cc1ccc2c(C[N@H+](C)C3CC[NH+](C(C)C)CC3)cc(=O)oc2c1 ZINC000299519417 456716305 /nfs/dbraw/zinc/71/63/05/456716305.db2.gz DOBMWHLKTQQKIY-UHFFFAOYSA-N 2 1 328.456 3.406 20 0 EGADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)C1(C(=O)OC)CCC1 ZINC000353538735 456743149 /nfs/dbraw/zinc/74/31/49/456743149.db2.gz UZDZWCWIQFGONT-SFHVURJKSA-N 2 1 332.488 3.350 20 0 EGADMP COC(=O)c1oc([C@@H](C)[N@H+](C)CCCN(C)Cc2ccco2)cc1C ZINC000353553486 456755150 /nfs/dbraw/zinc/75/51/50/456755150.db2.gz DWQCRXNTMHTONL-OAHLLOKOSA-N 2 1 348.443 3.483 20 0 EGADMP COC(=O)c1oc([C@@H](C)[N@@H+](C)CCCN(C)Cc2ccco2)cc1C ZINC000353553486 456755156 /nfs/dbraw/zinc/75/51/56/456755156.db2.gz DWQCRXNTMHTONL-OAHLLOKOSA-N 2 1 348.443 3.483 20 0 EGADMP CCOc1ccc([C@H](O)C2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000291795277 456760907 /nfs/dbraw/zinc/76/09/07/456760907.db2.gz MVQKIEMPGNVWJE-CTNGQTDRSA-N 2 1 346.515 3.315 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2-n2cncn2)C[C@@H]1C ZINC000353658486 456837673 /nfs/dbraw/zinc/83/76/73/456837673.db2.gz JMCUDWQFUPANQK-WMLDXEAASA-N 2 1 347.894 3.225 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2-n2cncn2)C[C@@H]1C ZINC000353658486 456837677 /nfs/dbraw/zinc/83/76/77/456837677.db2.gz JMCUDWQFUPANQK-WMLDXEAASA-N 2 1 347.894 3.225 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2-n2cncn2)C[C@@H]1C ZINC000353658486 456837681 /nfs/dbraw/zinc/83/76/81/456837681.db2.gz JMCUDWQFUPANQK-WMLDXEAASA-N 2 1 347.894 3.225 20 0 EGADMP c1ccc(C[NH+]2CCC(NC[C@@H]3CCCC[N@H+]3C3CC3)CC2)cc1 ZINC000277519952 456851765 /nfs/dbraw/zinc/85/17/65/456851765.db2.gz SOFOTUPTLVMJJV-NRFANRHFSA-N 2 1 327.516 3.258 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)c1OC ZINC000349155600 456901577 /nfs/dbraw/zinc/90/15/77/456901577.db2.gz WDGKXYKNUJVEOU-GOSISDBHSA-N 2 1 332.488 3.176 20 0 EGADMP c1ccc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339066171 456924682 /nfs/dbraw/zinc/92/46/82/456924682.db2.gz IGNDBBBQIYTPRD-SFTDATJTSA-N 3 1 327.516 3.115 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000339066868 456924702 /nfs/dbraw/zinc/92/47/02/456924702.db2.gz LCFFDSYMIDHFOW-CABCVRRESA-N 2 1 338.879 3.464 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000339066868 456924707 /nfs/dbraw/zinc/92/47/07/456924707.db2.gz LCFFDSYMIDHFOW-CABCVRRESA-N 2 1 338.879 3.464 20 0 EGADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000339069743 456925403 /nfs/dbraw/zinc/92/54/03/456925403.db2.gz VIBIGKPVYAEQRK-PMACEKPBSA-N 2 1 327.516 3.040 20 0 EGADMP CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000339069743 456925406 /nfs/dbraw/zinc/92/54/06/456925406.db2.gz VIBIGKPVYAEQRK-PMACEKPBSA-N 2 1 327.516 3.040 20 0 EGADMP CC(C)(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000339069743 456925408 /nfs/dbraw/zinc/92/54/08/456925408.db2.gz VIBIGKPVYAEQRK-PMACEKPBSA-N 2 1 327.516 3.040 20 0 EGADMP CC(C)(CN[C@H]1CC[NH+]2CCC[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000339069743 456925411 /nfs/dbraw/zinc/92/54/11/456925411.db2.gz VIBIGKPVYAEQRK-PMACEKPBSA-N 2 1 327.516 3.040 20 0 EGADMP CC(C)(CN[C@H]1CC[NH+]2CCC[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000339069743 456925413 /nfs/dbraw/zinc/92/54/13/456925413.db2.gz VIBIGKPVYAEQRK-PMACEKPBSA-N 2 1 327.516 3.040 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccccc2N2CC[NH+](CC)CC2)CCS1 ZINC000353854912 456937343 /nfs/dbraw/zinc/93/73/43/456937343.db2.gz AWNWYZZYYAAKAZ-GOSISDBHSA-N 2 1 333.545 3.156 20 0 EGADMP Cc1cc2cc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)oc2cc1C ZINC000349315100 456939216 /nfs/dbraw/zinc/93/92/16/456939216.db2.gz JUGVPRHNGJTIAG-UHFFFAOYSA-N 2 1 329.488 3.119 20 0 EGADMP CC[N@H+](CCC1CC[NH+](Cc2cn(C(C)C)nn2)CC1)CC(C)C ZINC000349412224 456964564 /nfs/dbraw/zinc/96/45/64/456964564.db2.gz YCURWHHLXMYCBG-UHFFFAOYSA-N 2 1 335.540 3.439 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cn(C(C)C)nn2)CC1)CC(C)C ZINC000349412224 456964565 /nfs/dbraw/zinc/96/45/65/456964565.db2.gz YCURWHHLXMYCBG-UHFFFAOYSA-N 2 1 335.540 3.439 20 0 EGADMP COc1cccc(OC(F)(F)F)c1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353948574 456976177 /nfs/dbraw/zinc/97/61/77/456976177.db2.gz VUIBGVPUJADGQG-RYUDHWBXSA-N 2 1 332.366 3.166 20 0 EGADMP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C2CCC2)o1 ZINC000349522881 456981682 /nfs/dbraw/zinc/98/16/82/456981682.db2.gz VTWIZLUKZRZKIO-NLWGTHIKSA-N 2 1 332.488 3.397 20 0 EGADMP Cc1c2cccc(Cl)c2sc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000339198373 456987339 /nfs/dbraw/zinc/98/73/39/456987339.db2.gz IOHXSXVFNXCOMG-ZDUSSCGKSA-N 2 1 338.904 3.409 20 0 EGADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)cc2)n1 ZINC000341907380 456995440 /nfs/dbraw/zinc/99/54/40/456995440.db2.gz ZYDUNVWEYXWIGK-LDBYXDLTSA-N 2 1 340.515 3.350 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnc(N(C)C)nc2)CC1 ZINC000362648949 457025316 /nfs/dbraw/zinc/02/53/16/457025316.db2.gz DLJSTBASAMFSIU-KRWDZBQOSA-N 2 1 345.535 3.019 20 0 EGADMP c1cn2c(cccc2C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000356512703 457030557 /nfs/dbraw/zinc/03/05/57/457030557.db2.gz BEJDZBVHRCLXQU-PMACEKPBSA-N 2 1 346.478 3.288 20 0 EGADMP c1cn2c(cccc2C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000356512703 457030562 /nfs/dbraw/zinc/03/05/62/457030562.db2.gz BEJDZBVHRCLXQU-PMACEKPBSA-N 2 1 346.478 3.288 20 0 EGADMP c1cn2c(cccc2C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000356512703 457030566 /nfs/dbraw/zinc/03/05/66/457030566.db2.gz BEJDZBVHRCLXQU-PMACEKPBSA-N 2 1 346.478 3.288 20 0 EGADMP c1cn2c(cccc2C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000356512703 457030571 /nfs/dbraw/zinc/03/05/71/457030571.db2.gz BEJDZBVHRCLXQU-PMACEKPBSA-N 2 1 346.478 3.288 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(OC(C)C)c2)C1 ZINC000354095704 457059754 /nfs/dbraw/zinc/05/97/54/457059754.db2.gz DKEJDWZHAQVDRI-HXUWFJFHSA-N 2 1 334.504 3.407 20 0 EGADMP COc1ccccc1-c1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000342080684 457097874 /nfs/dbraw/zinc/09/78/74/457097874.db2.gz GXDMGHATGXYSBP-IAOVAPTHSA-N 2 1 343.496 3.378 20 0 EGADMP COc1ccccc1-c1nc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000342080684 457097875 /nfs/dbraw/zinc/09/78/75/457097875.db2.gz GXDMGHATGXYSBP-IAOVAPTHSA-N 2 1 343.496 3.378 20 0 EGADMP CC(C)OCC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000349909702 457104313 /nfs/dbraw/zinc/10/43/13/457104313.db2.gz LJLQHKCPTJJKEF-JBACZVJFSA-N 2 1 348.531 3.147 20 0 EGADMP CC(C)OCC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000349909702 457104318 /nfs/dbraw/zinc/10/43/18/457104318.db2.gz LJLQHKCPTJJKEF-JBACZVJFSA-N 2 1 348.531 3.147 20 0 EGADMP CC(C)OCC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000349909702 457104322 /nfs/dbraw/zinc/10/43/22/457104322.db2.gz LJLQHKCPTJJKEF-JBACZVJFSA-N 2 1 348.531 3.147 20 0 EGADMP CC(C)OCC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000349909702 457104328 /nfs/dbraw/zinc/10/43/28/457104328.db2.gz LJLQHKCPTJJKEF-JBACZVJFSA-N 2 1 348.531 3.147 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccnc(OCc2ccccc2)c1 ZINC000359939615 457160456 /nfs/dbraw/zinc/16/04/56/457160456.db2.gz CTYGCEONPHTTCZ-QFBILLFUSA-N 2 1 325.456 3.090 20 0 EGADMP C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000359939615 457160457 /nfs/dbraw/zinc/16/04/57/457160457.db2.gz CTYGCEONPHTTCZ-QFBILLFUSA-N 2 1 325.456 3.090 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000359939615 457160458 /nfs/dbraw/zinc/16/04/58/457160458.db2.gz CTYGCEONPHTTCZ-QFBILLFUSA-N 2 1 325.456 3.090 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000359939615 457160464 /nfs/dbraw/zinc/16/04/64/457160464.db2.gz CTYGCEONPHTTCZ-QFBILLFUSA-N 2 1 325.456 3.090 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(CC[NH+](C)C2CC2)c1 ZINC000342218650 457175107 /nfs/dbraw/zinc/17/51/07/457175107.db2.gz MYWVQAQHEZWCEP-IBGZPJMESA-N 2 1 329.488 3.136 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000342218650 457175114 /nfs/dbraw/zinc/17/51/14/457175114.db2.gz MYWVQAQHEZWCEP-IBGZPJMESA-N 2 1 329.488 3.136 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000342218650 457175120 /nfs/dbraw/zinc/17/51/20/457175120.db2.gz MYWVQAQHEZWCEP-IBGZPJMESA-N 2 1 329.488 3.136 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000342219798 457175541 /nfs/dbraw/zinc/17/55/41/457175541.db2.gz NWBUXDZUGWBMDD-HOTGVXAUSA-N 2 1 329.488 3.135 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H](Cc2ccccn2)c2ccccc2)CC1 ZINC000359990830 457190081 /nfs/dbraw/zinc/19/00/81/457190081.db2.gz DRHAAMYHMRAXJV-NRFANRHFSA-N 2 1 339.483 3.066 20 0 EGADMP CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1)CC1CC1 ZINC000356890474 457201425 /nfs/dbraw/zinc/20/14/25/457201425.db2.gz HAQVIWBZFDVTKP-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1)CC1CC1 ZINC000356890474 457201430 /nfs/dbraw/zinc/20/14/30/457201430.db2.gz HAQVIWBZFDVTKP-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1)CC1CC1 ZINC000356890474 457201439 /nfs/dbraw/zinc/20/14/39/457201439.db2.gz HAQVIWBZFDVTKP-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCSc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000339680076 457209163 /nfs/dbraw/zinc/20/91/63/457209163.db2.gz FWRPBFKXQFZOQE-KRWDZBQOSA-N 2 1 335.561 3.477 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000360023631 457209586 /nfs/dbraw/zinc/20/95/86/457209586.db2.gz LANBPXAWVSNVTN-RLFYNMQTSA-N 2 1 332.492 3.350 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000360023631 457209589 /nfs/dbraw/zinc/20/95/89/457209589.db2.gz LANBPXAWVSNVTN-RLFYNMQTSA-N 2 1 332.492 3.350 20 0 EGADMP CN(Cc1ccc(Cl)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000347206820 457288665 /nfs/dbraw/zinc/28/86/65/457288665.db2.gz RVMZGIUHHBNQRF-FQEVSTJZSA-N 2 1 344.886 3.409 20 0 EGADMP C[N@H+](Cc1ccc(Cl)cc1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000347206820 457288674 /nfs/dbraw/zinc/28/86/74/457288674.db2.gz RVMZGIUHHBNQRF-FQEVSTJZSA-N 2 1 344.886 3.409 20 0 EGADMP C[N@@H+](Cc1ccc(Cl)cc1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000347206820 457288683 /nfs/dbraw/zinc/28/86/83/457288683.db2.gz RVMZGIUHHBNQRF-FQEVSTJZSA-N 2 1 344.886 3.409 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(C(=O)OC)co2)CC1)CC1CC1 ZINC000357071899 457307519 /nfs/dbraw/zinc/30/75/19/457307519.db2.gz CVZUGEBFMKGKSU-UHFFFAOYSA-N 2 1 348.487 3.400 20 0 EGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000357083976 457313276 /nfs/dbraw/zinc/31/32/76/457313276.db2.gz JBCKLKCJOXJVDT-OAHLLOKOSA-N 2 1 333.501 3.395 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OCC(C)C ZINC000357109411 457326775 /nfs/dbraw/zinc/32/67/75/457326775.db2.gz VWSPMWBYNRXKKK-MSOLQXFVSA-N 2 1 332.488 3.161 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OCC(C)C ZINC000357109411 457326779 /nfs/dbraw/zinc/32/67/79/457326779.db2.gz VWSPMWBYNRXKKK-MSOLQXFVSA-N 2 1 332.488 3.161 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000340114885 457337035 /nfs/dbraw/zinc/33/70/35/457337035.db2.gz CAGGFQAWLMXWMX-PMACEKPBSA-N 2 1 345.531 3.442 20 0 EGADMP COc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC000352434053 457364686 /nfs/dbraw/zinc/36/46/86/457364686.db2.gz ZJEIFFYEYXZEEH-VQTJNVASSA-N 2 1 337.467 3.044 20 0 EGADMP COc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC000352434053 457364687 /nfs/dbraw/zinc/36/46/87/457364687.db2.gz ZJEIFFYEYXZEEH-VQTJNVASSA-N 2 1 337.467 3.044 20 0 EGADMP COc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC000352434053 457364691 /nfs/dbraw/zinc/36/46/91/457364691.db2.gz ZJEIFFYEYXZEEH-VQTJNVASSA-N 2 1 337.467 3.044 20 0 EGADMP COc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC000352434053 457364695 /nfs/dbraw/zinc/36/46/95/457364695.db2.gz ZJEIFFYEYXZEEH-VQTJNVASSA-N 2 1 337.467 3.044 20 0 EGADMP CCc1nnc([C@H](C)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000352447852 457373404 /nfs/dbraw/zinc/37/34/04/457373404.db2.gz OVGBAZQYBMXDFV-RYQLBKOJSA-N 2 1 340.471 3.147 20 0 EGADMP c1ccc(COc2ccccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000363616868 457383898 /nfs/dbraw/zinc/38/38/98/457383898.db2.gz VODJOVWCTPSNJN-UYAOXDASSA-N 2 1 337.467 3.377 20 0 EGADMP c1ccc(COc2ccccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000363616868 457383903 /nfs/dbraw/zinc/38/39/03/457383903.db2.gz VODJOVWCTPSNJN-UYAOXDASSA-N 2 1 337.467 3.377 20 0 EGADMP FC(F)(F)CN1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000373904091 457393398 /nfs/dbraw/zinc/39/33/98/457393398.db2.gz LXLQHELQGZKWRU-KRWDZBQOSA-N 2 1 347.469 3.400 20 0 EGADMP FC(F)(F)CN1CCC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000373904091 457393404 /nfs/dbraw/zinc/39/34/04/457393404.db2.gz LXLQHELQGZKWRU-KRWDZBQOSA-N 2 1 347.469 3.400 20 0 EGADMP CC(=O)c1ccc(NC(=O)CC[N@@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000352519317 457435355 /nfs/dbraw/zinc/43/53/55/457435355.db2.gz NTWFBZGYORWJCR-UHFFFAOYSA-N 2 1 345.487 3.059 20 0 EGADMP Clc1cccc2c1OCCC[C@@H]2NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363782281 457445802 /nfs/dbraw/zinc/44/58/02/457445802.db2.gz KNAINJMJLLBLPD-KEYYUXOJSA-N 2 1 336.863 3.007 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352539929 457450878 /nfs/dbraw/zinc/45/08/78/457450878.db2.gz FCILAACKQWNOIF-LJQANCHMSA-N 2 1 325.456 3.461 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C(C)C)C(C)C ZINC000360970210 457477735 /nfs/dbraw/zinc/47/77/35/457477735.db2.gz YSPSEBLXILAEPL-ZWKOTPCHSA-N 2 1 325.541 3.122 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347532169 457489297 /nfs/dbraw/zinc/48/92/97/457489297.db2.gz WBXDQVWEQUJJNG-UHFFFAOYSA-N 2 1 337.467 3.060 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000425314976 457494155 /nfs/dbraw/zinc/49/41/55/457494155.db2.gz KBJNXOSWFXWHPJ-FUHWJXTLSA-N 2 1 342.487 3.168 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000342751356 457500039 /nfs/dbraw/zinc/50/00/39/457500039.db2.gz ODFUNHIUUQRTKT-FUHIMQAGSA-N 2 1 343.515 3.065 20 0 EGADMP CC(C)[NH+](CCN(C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1)C(C)C ZINC000356171234 457502927 /nfs/dbraw/zinc/50/29/27/457502927.db2.gz UUZYVWQMNFEGPJ-GOSISDBHSA-N 2 1 333.520 3.084 20 0 EGADMP CCSc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000364229685 457538327 /nfs/dbraw/zinc/53/83/27/457538327.db2.gz XYYZZQXFJUYJFI-YTQUADARSA-N 2 1 334.529 3.482 20 0 EGADMP CCSc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000364229685 457538337 /nfs/dbraw/zinc/53/83/37/457538337.db2.gz XYYZZQXFJUYJFI-YTQUADARSA-N 2 1 334.529 3.482 20 0 EGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000374241682 457541313 /nfs/dbraw/zinc/54/13/13/457541313.db2.gz OSLDZFYVKWJMHB-MOPGFXCFSA-N 2 1 344.547 3.032 20 0 EGADMP C[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000404515204 457543646 /nfs/dbraw/zinc/54/36/46/457543646.db2.gz SBFITKPFIPGENC-BRWVUGGUSA-N 2 1 331.504 3.014 20 0 EGADMP CC(C)CCn1cccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374255017 457547461 /nfs/dbraw/zinc/54/74/61/457547461.db2.gz OSAWKWANSXSOBO-MISYRCLQSA-N 2 1 333.520 3.218 20 0 EGADMP CC(C)CCn1cccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374255017 457547471 /nfs/dbraw/zinc/54/74/71/457547471.db2.gz OSAWKWANSXSOBO-MISYRCLQSA-N 2 1 333.520 3.218 20 0 EGADMP COC[C@@H](NCc1ncc(C[NH+](C)C)s1)c1ccc(Cl)cc1 ZINC000352709524 457548679 /nfs/dbraw/zinc/54/86/79/457548679.db2.gz CPTVRLZCWXBXDO-OAHLLOKOSA-N 2 1 339.892 3.335 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000361105688 457584649 /nfs/dbraw/zinc/58/46/49/457584649.db2.gz MNNAYHLDSYBEMV-UYAOXDASSA-N 2 1 326.488 3.164 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1)C1CC1 ZINC000356405696 457610398 /nfs/dbraw/zinc/61/03/98/457610398.db2.gz LIPVNLLMSVHHDU-OXQOHEQNSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1)C1CC1 ZINC000356405696 457610400 /nfs/dbraw/zinc/61/04/00/457610400.db2.gz LIPVNLLMSVHHDU-OXQOHEQNSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1)C1CC1 ZINC000356405696 457610406 /nfs/dbraw/zinc/61/04/06/457610406.db2.gz LIPVNLLMSVHHDU-OXQOHEQNSA-N 2 1 343.515 3.083 20 0 EGADMP CC(C)Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000361162492 457622044 /nfs/dbraw/zinc/62/20/44/457622044.db2.gz CGSNNUPPDFWRCH-YLJYHZDGSA-N 2 1 345.531 3.123 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000357789902 457691050 /nfs/dbraw/zinc/69/10/50/457691050.db2.gz FSCUZIZFNLOBPK-WSTZPKSXSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000357789902 457691052 /nfs/dbraw/zinc/69/10/52/457691052.db2.gz FSCUZIZFNLOBPK-WSTZPKSXSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000357789902 457691055 /nfs/dbraw/zinc/69/10/55/457691055.db2.gz FSCUZIZFNLOBPK-WSTZPKSXSA-N 2 1 343.515 3.030 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)cc1 ZINC000370671432 457696949 /nfs/dbraw/zinc/69/69/49/457696949.db2.gz RJALRIALHMEXEL-LIRRHRJNSA-N 2 1 347.466 3.487 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370712081 457704775 /nfs/dbraw/zinc/70/47/75/457704775.db2.gz ZHBYSFVPVYJDOZ-VQIMIIECSA-N 2 1 343.540 3.359 20 0 EGADMP COCC1(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCC1 ZINC000361378457 457712174 /nfs/dbraw/zinc/71/21/74/457712174.db2.gz RATROQVLCAYSHS-HXUWFJFHSA-N 2 1 328.500 3.401 20 0 EGADMP COCC1(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000361378457 457712175 /nfs/dbraw/zinc/71/21/75/457712175.db2.gz RATROQVLCAYSHS-HXUWFJFHSA-N 2 1 328.500 3.401 20 0 EGADMP COCC1(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000361378457 457712177 /nfs/dbraw/zinc/71/21/77/457712177.db2.gz RATROQVLCAYSHS-HXUWFJFHSA-N 2 1 328.500 3.401 20 0 EGADMP CCc1ccc([C@@H]2CC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000433078161 457752722 /nfs/dbraw/zinc/75/27/22/457752722.db2.gz UXKSWWLUWLOAFZ-JOCHJYFZSA-N 2 1 343.559 3.454 20 0 EGADMP CC(C)[C@@H](C[NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000433113414 457760125 /nfs/dbraw/zinc/76/01/25/457760125.db2.gz DQBCDDIABZHLHT-HXUWFJFHSA-N 2 1 345.531 3.298 20 0 EGADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000361523987 457770293 /nfs/dbraw/zinc/77/02/93/457770293.db2.gz IBIZMOTXKRAFAJ-UYAOXDASSA-N 2 1 347.547 3.118 20 0 EGADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433344757 457816809 /nfs/dbraw/zinc/81/68/09/457816809.db2.gz UEWLPMLZGGYKRF-FQEVSTJZSA-N 2 1 345.531 3.402 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1O ZINC000426404787 457823163 /nfs/dbraw/zinc/82/31/63/457823163.db2.gz JRZMYLCYBYAJGI-IXDOHACOSA-N 2 1 334.504 3.432 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1O ZINC000426404787 457823167 /nfs/dbraw/zinc/82/31/67/457823167.db2.gz JRZMYLCYBYAJGI-IXDOHACOSA-N 2 1 334.504 3.432 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC[NH+](C(C)C)C(C)C)C[C@H]1C ZINC000361791512 457861320 /nfs/dbraw/zinc/86/13/20/457861320.db2.gz ZTOJQFDHJUIDSU-MSOLQXFVSA-N 2 1 340.556 3.010 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000444226015 457870260 /nfs/dbraw/zinc/87/02/60/457870260.db2.gz OAZQRRFQOIXRAW-QGZVFWFLSA-N 2 1 347.478 3.413 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H]1C ZINC000411621724 457931318 /nfs/dbraw/zinc/93/13/18/457931318.db2.gz REUTXWOJJSPDHE-LPHOPBHVSA-N 2 1 330.472 3.056 20 0 EGADMP C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411634154 457934470 /nfs/dbraw/zinc/93/44/70/457934470.db2.gz KPGFFXWAYMEAML-HXOBKFHXSA-N 2 1 334.529 3.015 20 0 EGADMP C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411634154 457934475 /nfs/dbraw/zinc/93/44/75/457934475.db2.gz KPGFFXWAYMEAML-HXOBKFHXSA-N 2 1 334.529 3.015 20 0 EGADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361892589 457937005 /nfs/dbraw/zinc/93/70/05/457937005.db2.gz WLYUPAQSCMCAGA-FGZHOGPDSA-N 2 1 336.479 3.209 20 0 EGADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361892589 457937007 /nfs/dbraw/zinc/93/70/07/457937007.db2.gz WLYUPAQSCMCAGA-FGZHOGPDSA-N 2 1 336.479 3.209 20 0 EGADMP C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)CCO2 ZINC000411658175 457941785 /nfs/dbraw/zinc/94/17/85/457941785.db2.gz KPQHSIVACYYSTJ-GHTZIAJQSA-N 2 1 344.499 3.052 20 0 EGADMP COCC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCO[C@@H]1C ZINC000411658847 457941873 /nfs/dbraw/zinc/94/18/73/457941873.db2.gz XKTYYIUDJDIWGZ-NQIIRXRSSA-N 2 1 346.515 3.298 20 0 EGADMP C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)CCO2 ZINC000411658186 457942397 /nfs/dbraw/zinc/94/23/97/457942397.db2.gz KPQHSIVACYYSTJ-WIYYLYMNSA-N 2 1 344.499 3.052 20 0 EGADMP c1ncc(CC[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)s1 ZINC000411714995 457958379 /nfs/dbraw/zinc/95/83/79/457958379.db2.gz AQHVWNKWOVUQAW-IBGZPJMESA-N 2 1 327.497 3.284 20 0 EGADMP c1ncc(CC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)s1 ZINC000411714995 457958388 /nfs/dbraw/zinc/95/83/88/457958388.db2.gz AQHVWNKWOVUQAW-IBGZPJMESA-N 2 1 327.497 3.284 20 0 EGADMP c1ncc(CC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)s1 ZINC000411714995 457958396 /nfs/dbraw/zinc/95/83/96/457958396.db2.gz AQHVWNKWOVUQAW-IBGZPJMESA-N 2 1 327.497 3.284 20 0 EGADMP c1ncc(CC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)s1 ZINC000411714995 457958399 /nfs/dbraw/zinc/95/83/99/457958399.db2.gz AQHVWNKWOVUQAW-IBGZPJMESA-N 2 1 327.497 3.284 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1csc(CCc2ccccc2)n1 ZINC000361929743 457962457 /nfs/dbraw/zinc/96/24/57/457962457.db2.gz ZOMLJKFGPHBNHI-CRAIPNDOSA-N 2 1 329.513 3.358 20 0 EGADMP CO[C@@H]1CC[N@@H+](CC[C@@H](C)CC[NH+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000411808354 457983978 /nfs/dbraw/zinc/98/39/78/457983978.db2.gz SFAKPMNEOHMWIK-NCQGUEQISA-N 2 1 340.552 3.116 20 0 EGADMP CO[C@@H]1CC[NH+](CC[C@@H](C)CC[N@@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000411808354 457983984 /nfs/dbraw/zinc/98/39/84/457983984.db2.gz SFAKPMNEOHMWIK-NCQGUEQISA-N 2 1 340.552 3.116 20 0 EGADMP CO[C@@H]1CC[NH+](CC[C@@H](C)CC[N@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000411808354 457983987 /nfs/dbraw/zinc/98/39/87/457983987.db2.gz SFAKPMNEOHMWIK-NCQGUEQISA-N 2 1 340.552 3.116 20 0 EGADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000375643262 458002232 /nfs/dbraw/zinc/00/22/32/458002232.db2.gz KDCHQVXTVRFRRF-MAUKXSAKSA-N 2 1 344.528 3.361 20 0 EGADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000375643262 458002238 /nfs/dbraw/zinc/00/22/38/458002238.db2.gz KDCHQVXTVRFRRF-MAUKXSAKSA-N 2 1 344.528 3.361 20 0 EGADMP C[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000375707009 458031247 /nfs/dbraw/zinc/03/12/47/458031247.db2.gz WXBQVEDLMWRHSF-XZOQPEGZSA-N 2 1 349.522 3.338 20 0 EGADMP CC[NH2+]Cc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000428314095 458119587 /nfs/dbraw/zinc/11/95/87/458119587.db2.gz ZDDSASUXFCYUFD-MRXNPFEDSA-N 2 1 325.456 3.255 20 0 EGADMP CC[NH2+]Cc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000428314095 458119590 /nfs/dbraw/zinc/11/95/90/458119590.db2.gz ZDDSASUXFCYUFD-MRXNPFEDSA-N 2 1 325.456 3.255 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000435371968 458121632 /nfs/dbraw/zinc/12/16/32/458121632.db2.gz PICOMXVKSVXYCR-ORAYPTAESA-N 2 1 346.906 3.371 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000435371968 458121641 /nfs/dbraw/zinc/12/16/41/458121641.db2.gz PICOMXVKSVXYCR-ORAYPTAESA-N 2 1 346.906 3.371 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000435373864 458124531 /nfs/dbraw/zinc/12/45/31/458124531.db2.gz VVZMTUKFIBHUPY-KZULUSFZSA-N 2 1 332.879 3.312 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000435373864 458124537 /nfs/dbraw/zinc/12/45/37/458124537.db2.gz VVZMTUKFIBHUPY-KZULUSFZSA-N 2 1 332.879 3.312 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000435377139 458126405 /nfs/dbraw/zinc/12/64/05/458126405.db2.gz YJTFVKZOHZZINK-AEFFLSMTSA-N 2 1 347.466 3.103 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000435382160 458130374 /nfs/dbraw/zinc/13/03/74/458130374.db2.gz ZUCFDDOFRDXUTP-IHPCNDPISA-N 2 1 337.467 3.316 20 0 EGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000435386669 458131850 /nfs/dbraw/zinc/13/18/50/458131850.db2.gz UTLPFAZBBDXQJM-MRXNPFEDSA-N 2 1 346.906 3.243 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000435386669 458131857 /nfs/dbraw/zinc/13/18/57/458131857.db2.gz UTLPFAZBBDXQJM-MRXNPFEDSA-N 2 1 346.906 3.243 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)c(OC)c2)C1 ZINC000435388176 458132052 /nfs/dbraw/zinc/13/20/52/458132052.db2.gz DNXOOGWLCCWBTN-AWEZNQCLSA-N 2 1 346.393 3.068 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)c(OC)c2)C1 ZINC000435388176 458132056 /nfs/dbraw/zinc/13/20/56/458132056.db2.gz DNXOOGWLCCWBTN-AWEZNQCLSA-N 2 1 346.393 3.068 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3OCc3cccnc3)C[C@H]21 ZINC000435384897 458132917 /nfs/dbraw/zinc/13/29/17/458132917.db2.gz OTAVXNWYKJAZHT-DFQSSKMNSA-N 2 1 337.467 3.220 20 0 EGADMP COc1cc(C[NH+]2CCC([NH3+])CC2)c(-c2ccccc2)cc1OC ZINC000435393735 458136578 /nfs/dbraw/zinc/13/65/78/458136578.db2.gz IBEFJTVUBZFKLN-UHFFFAOYSA-N 2 1 326.440 3.294 20 0 EGADMP Cn1ccnc1C[N@@H+](CC1CCCCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435420091 458141052 /nfs/dbraw/zinc/14/10/52/458141052.db2.gz BFYPURMHWAHWJQ-GOSISDBHSA-N 2 1 330.520 3.335 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435433109 458146436 /nfs/dbraw/zinc/14/64/36/458146436.db2.gz PXBOZULANPRQMB-KRWDZBQOSA-N 2 1 332.879 3.408 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435433109 458146441 /nfs/dbraw/zinc/14/64/41/458146441.db2.gz PXBOZULANPRQMB-KRWDZBQOSA-N 2 1 332.879 3.408 20 0 EGADMP Cc1nc2cc(CNC(=O)[C@H]3CCCc4[nH+]ccn43)ccc2n1C1CC1 ZINC000412329484 458169625 /nfs/dbraw/zinc/16/96/25/458169625.db2.gz JQMIXBBONLNJDS-GOSISDBHSA-N 2 1 349.438 3.070 20 0 EGADMP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435615265 458172092 /nfs/dbraw/zinc/17/20/92/458172092.db2.gz OWNKQEYFFBQEEG-RDJZCZTQSA-N 2 1 349.544 3.048 20 0 EGADMP CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435615265 458172097 /nfs/dbraw/zinc/17/20/97/458172097.db2.gz OWNKQEYFFBQEEG-RDJZCZTQSA-N 2 1 349.544 3.048 20 0 EGADMP CCC[C@H](NC(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435618007 458174440 /nfs/dbraw/zinc/17/44/40/458174440.db2.gz OYFVWEXWSABTHD-OALUTQOASA-N 2 1 331.504 3.108 20 0 EGADMP CCC[C@H](NC(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435618007 458174443 /nfs/dbraw/zinc/17/44/43/458174443.db2.gz OYFVWEXWSABTHD-OALUTQOASA-N 2 1 331.504 3.108 20 0 EGADMP COc1ccc(CC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435627706 458177192 /nfs/dbraw/zinc/17/71/92/458177192.db2.gz OFERTPUPAXRRFW-HXUWFJFHSA-N 2 1 339.483 3.277 20 0 EGADMP CC(C)[C@H](C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000376098313 458195099 /nfs/dbraw/zinc/19/50/99/458195099.db2.gz VFMJZSWUIOUGQT-SFTDATJTSA-N 2 1 329.532 3.138 20 0 EGADMP COc1cccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000436295917 458283721 /nfs/dbraw/zinc/28/37/21/458283721.db2.gz IFEBBIHUTIVHGF-LPHOPBHVSA-N 2 1 331.504 3.408 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cnc(C3CC3)nc2)C1 ZINC000459324442 458330341 /nfs/dbraw/zinc/33/03/41/458330341.db2.gz KOMRSAJPPJTYEL-IRXDYDNUSA-N 2 1 328.504 3.440 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CC3(CC3)C(=O)O2)CCN1Cc1ccccc1 ZINC000373037468 458382358 /nfs/dbraw/zinc/38/23/58/458382358.db2.gz WSAFMXFISXFSQI-NZSAHSFTSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C[C@H]2CC3(CC3)C(=O)O2)CC[N@@H+]1Cc1ccccc1 ZINC000373037468 458382360 /nfs/dbraw/zinc/38/23/60/458382360.db2.gz WSAFMXFISXFSQI-NZSAHSFTSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C[C@H]2CC3(CC3)C(=O)O2)CC[N@H+]1Cc1ccccc1 ZINC000373037468 458382361 /nfs/dbraw/zinc/38/23/61/458382361.db2.gz WSAFMXFISXFSQI-NZSAHSFTSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CC3(CC3)C(=O)O2)CC[N@@H+]1Cc1ccccc1 ZINC000373037468 458382366 /nfs/dbraw/zinc/38/23/66/458382366.db2.gz WSAFMXFISXFSQI-NZSAHSFTSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CC3(CC3)C(=O)O2)CC[N@H+]1Cc1ccccc1 ZINC000373037468 458382370 /nfs/dbraw/zinc/38/23/70/458382370.db2.gz WSAFMXFISXFSQI-NZSAHSFTSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CC3(CC3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000373037468 458382374 /nfs/dbraw/zinc/38/23/74/458382374.db2.gz WSAFMXFISXFSQI-NZSAHSFTSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CC3(CC3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000373037468 458382375 /nfs/dbraw/zinc/38/23/75/458382375.db2.gz WSAFMXFISXFSQI-NZSAHSFTSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCC3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000430229730 458425851 /nfs/dbraw/zinc/42/58/51/458425851.db2.gz YPMZLHAIZHPCEV-AVRDEDQJSA-N 2 1 341.543 3.023 20 0 EGADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000459675413 458444551 /nfs/dbraw/zinc/44/45/51/458444551.db2.gz MKAFDTRHFCNSRW-YSIASYRMSA-N 2 1 325.456 3.373 20 0 EGADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000459675413 458444554 /nfs/dbraw/zinc/44/45/54/458444554.db2.gz MKAFDTRHFCNSRW-YSIASYRMSA-N 2 1 325.456 3.373 20 0 EGADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000459675412 458444618 /nfs/dbraw/zinc/44/46/18/458444618.db2.gz MKAFDTRHFCNSRW-MISYRCLQSA-N 2 1 325.456 3.373 20 0 EGADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000459675412 458444621 /nfs/dbraw/zinc/44/46/21/458444621.db2.gz MKAFDTRHFCNSRW-MISYRCLQSA-N 2 1 325.456 3.373 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000430548677 458459197 /nfs/dbraw/zinc/45/91/97/458459197.db2.gz HDSFKXIMEZZDMQ-DOTOQJQBSA-N 2 1 349.494 3.012 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000430548677 458459204 /nfs/dbraw/zinc/45/92/04/458459204.db2.gz HDSFKXIMEZZDMQ-DOTOQJQBSA-N 2 1 349.494 3.012 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000430547834 458459957 /nfs/dbraw/zinc/45/99/57/458459957.db2.gz AQBOSQJYDFBUEZ-IBGZPJMESA-N 2 1 331.504 3.118 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000430547834 458459959 /nfs/dbraw/zinc/45/99/59/458459959.db2.gz AQBOSQJYDFBUEZ-IBGZPJMESA-N 2 1 331.504 3.118 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000430576222 458464745 /nfs/dbraw/zinc/46/47/45/458464745.db2.gz RYPDAGDDJJJFKA-OAGGEKHMSA-N 2 1 337.533 3.105 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000430576222 458464752 /nfs/dbraw/zinc/46/47/52/458464752.db2.gz RYPDAGDDJJJFKA-OAGGEKHMSA-N 2 1 337.533 3.105 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000430602233 458469529 /nfs/dbraw/zinc/46/95/29/458469529.db2.gz VVMHHMIVCIELQD-ZOBUZTSGSA-N 2 1 345.487 3.304 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000430602233 458469536 /nfs/dbraw/zinc/46/95/36/458469536.db2.gz VVMHHMIVCIELQD-ZOBUZTSGSA-N 2 1 345.487 3.304 20 0 EGADMP COc1cc(C)c(C[C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459782592 458477562 /nfs/dbraw/zinc/47/75/62/458477562.db2.gz MRJLQLZPLRUQNA-IAGOWNOFSA-N 2 1 334.504 3.265 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CC3 ZINC000459786678 458479234 /nfs/dbraw/zinc/47/92/34/458479234.db2.gz PGPDYFPLLGCSQV-HOTGVXAUSA-N 2 1 341.499 3.355 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)c1OC ZINC000459792558 458479947 /nfs/dbraw/zinc/47/99/47/458479947.db2.gz SKKZQXIHPBINOE-DOTOQJQBSA-N 2 1 334.504 3.265 20 0 EGADMP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430940758 458509007 /nfs/dbraw/zinc/50/90/07/458509007.db2.gz QYAUFEHVYMXXDF-WDEREUQCSA-N 2 1 344.286 3.380 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423909193 458511194 /nfs/dbraw/zinc/51/11/94/458511194.db2.gz UAURGCMCAIJFRZ-IEBWSBKVSA-N 2 1 345.531 3.168 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000431063233 458523931 /nfs/dbraw/zinc/52/39/31/458523931.db2.gz YVILCOKMNVYUQP-GTAWCEEGSA-N 2 1 343.515 3.236 20 0 EGADMP c1nc2cnccn2c1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000377817069 458539251 /nfs/dbraw/zinc/53/92/51/458539251.db2.gz OXSOUJNBONSYFB-IBGZPJMESA-N 2 1 349.482 3.121 20 0 EGADMP c1nc2cnccn2c1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000377817069 458539257 /nfs/dbraw/zinc/53/92/57/458539257.db2.gz OXSOUJNBONSYFB-IBGZPJMESA-N 2 1 349.482 3.121 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424145401 458570372 /nfs/dbraw/zinc/57/03/72/458570372.db2.gz NMFUNEXKBLYLES-MOPGFXCFSA-N 2 1 337.552 3.255 20 0 EGADMP Cc1cc(F)c(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000424150251 458571728 /nfs/dbraw/zinc/57/17/28/458571728.db2.gz YLXWSEJCNSZKJB-GASCZTMLSA-N 2 1 326.431 3.252 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccco1 ZINC000438551735 458596688 /nfs/dbraw/zinc/59/66/88/458596688.db2.gz GEEVKOVECOIZTB-ZWKOTPCHSA-N 2 1 347.503 3.186 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(F)c2C)C[C@@H]1C ZINC000438819854 458616205 /nfs/dbraw/zinc/61/62/05/458616205.db2.gz NEQYSWULOPOLSJ-GOEBONIOSA-N 2 1 335.467 3.267 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc(F)c2C)C[C@@H]1C ZINC000438819854 458616207 /nfs/dbraw/zinc/61/62/07/458616207.db2.gz NEQYSWULOPOLSJ-GOEBONIOSA-N 2 1 335.467 3.267 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(F)c2C)C[C@@H]1C ZINC000438819854 458616213 /nfs/dbraw/zinc/61/62/13/458616213.db2.gz NEQYSWULOPOLSJ-GOEBONIOSA-N 2 1 335.467 3.267 20 0 EGADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424375433 458627808 /nfs/dbraw/zinc/62/78/08/458627808.db2.gz NENOGIJCBOJNJF-ZTFGCOKTSA-N 2 1 332.492 3.481 20 0 EGADMP COc1ccc(C[C@@H](C)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1F ZINC000424388054 458631528 /nfs/dbraw/zinc/63/15/28/458631528.db2.gz ZBUQSIJKZHMIGS-CVEARBPZSA-N 2 1 334.479 3.477 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000424443921 458645053 /nfs/dbraw/zinc/64/50/53/458645053.db2.gz LUSIDBCLCLZJCD-MRXNPFEDSA-N 2 1 332.492 3.230 20 0 EGADMP CC(C)[NH2+]C1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000470772430 458649168 /nfs/dbraw/zinc/64/91/68/458649168.db2.gz JYMADYNCEZISTG-OAQYLSRUSA-N 2 1 326.484 3.206 20 0 EGADMP CCOc1cc2[nH+]ccc(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2cc1OCC ZINC000462868325 458663742 /nfs/dbraw/zinc/66/37/42/458663742.db2.gz AYLUVCZCAYGRTP-LSDHHAIUSA-N 2 1 343.471 3.349 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)c1cccc(F)c1 ZINC000546723445 458666554 /nfs/dbraw/zinc/66/65/54/458666554.db2.gz KZRPGZGCWZLZSB-IBGZPJMESA-N 2 1 349.494 3.199 20 0 EGADMP OCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000471576641 458699739 /nfs/dbraw/zinc/69/97/39/458699739.db2.gz DIUGTQPXNFOFKO-PCCBWWKXSA-N 2 1 342.527 3.429 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000503492988 458710819 /nfs/dbraw/zinc/71/08/19/458710819.db2.gz VLROXTWWBMKGPW-LJQANCHMSA-N 2 1 331.504 3.429 20 0 EGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000503920972 458729415 /nfs/dbraw/zinc/72/94/15/458729415.db2.gz OQEGIORYQQBDQX-SFHVURJKSA-N 2 1 340.556 3.011 20 0 EGADMP CCc1ccccc1NC(=O)[C@H](C)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472452299 458797384 /nfs/dbraw/zinc/79/73/84/458797384.db2.gz XJWIBYRGQUFWDX-FUHWJXTLSA-N 2 1 343.515 3.240 20 0 EGADMP Cc1cccc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000518269502 458852697 /nfs/dbraw/zinc/85/26/97/458852697.db2.gz FKVYCGNOBGAIAE-JOCHJYFZSA-N 2 1 337.511 3.463 20 0 EGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000457104126 458868367 /nfs/dbraw/zinc/86/83/67/458868367.db2.gz BNLZPPCEQOUJKL-HNNXBMFYSA-N 2 1 343.471 3.049 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000495527260 458875948 /nfs/dbraw/zinc/87/59/48/458875948.db2.gz ZMBNHDYRUSQEJW-DLBZAZTESA-N 2 1 339.524 3.098 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000495527262 458876149 /nfs/dbraw/zinc/87/61/49/458876149.db2.gz ZMBNHDYRUSQEJW-IRXDYDNUSA-N 2 1 339.524 3.098 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H]1C ZINC000474611618 458893688 /nfs/dbraw/zinc/89/36/88/458893688.db2.gz GJPOSTFVCZDBKV-DZVNLGKHSA-N 2 1 338.536 3.310 20 0 EGADMP COc1cc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)ccc1OC(C)C ZINC000518791151 458894352 /nfs/dbraw/zinc/89/43/52/458894352.db2.gz YRLHASDFPNUOGD-HNNXBMFYSA-N 2 1 331.460 3.499 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000474882049 458904481 /nfs/dbraw/zinc/90/44/81/458904481.db2.gz XUGAZSUCALAYJO-PKOBYXMFSA-N 2 1 346.515 3.466 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495657251 458911782 /nfs/dbraw/zinc/91/17/82/458911782.db2.gz LBRJNYZPICDYGY-HOTGVXAUSA-N 2 1 327.513 3.096 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495657251 458911786 /nfs/dbraw/zinc/91/17/86/458911786.db2.gz LBRJNYZPICDYGY-HOTGVXAUSA-N 2 1 327.513 3.096 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000519193413 458925090 /nfs/dbraw/zinc/92/50/90/458925090.db2.gz GJYZVXBQOSOLKK-ROUUACIJSA-N 2 1 349.950 3.373 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccccc3)cc2)CC1(C)C ZINC000441356084 458927057 /nfs/dbraw/zinc/92/70/57/458927057.db2.gz HCPQMNVBNXIIMJ-UHFFFAOYSA-N 2 1 337.511 3.469 20 0 EGADMP C[C@H](CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000519304104 458933057 /nfs/dbraw/zinc/93/30/57/458933057.db2.gz HCUITHXHZUFILR-KNQAVFIVSA-N 2 1 338.495 3.407 20 0 EGADMP C[C@H](CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000519304104 458933062 /nfs/dbraw/zinc/93/30/62/458933062.db2.gz HCUITHXHZUFILR-KNQAVFIVSA-N 2 1 338.495 3.407 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000519387592 458943206 /nfs/dbraw/zinc/94/32/06/458943206.db2.gz MQQBYLDIQZOARC-UTKZUKDTSA-N 2 1 326.484 3.065 20 0 EGADMP CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000531701937 458962992 /nfs/dbraw/zinc/96/29/92/458962992.db2.gz SFWFLXKFQRRSSU-HKUYNNGSSA-N 2 1 334.504 3.219 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000556665207 458984453 /nfs/dbraw/zinc/98/44/53/458984453.db2.gz BQKONQLRNVIALG-DNVCBOLYSA-N 2 1 344.503 3.087 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C)cc2C)[C@H](C)C1 ZINC000531953947 459006798 /nfs/dbraw/zinc/00/67/98/459006798.db2.gz KZFNFYRSWSFJCW-UXHICEINSA-N 2 1 348.531 3.409 20 0 EGADMP CN(C[C@H](O)C[N@H+]1CCCCC[C@@H]1/C=C\c1ccccc1)C1CC1 ZINC000519846575 459014590 /nfs/dbraw/zinc/01/45/90/459014590.db2.gz CLJDSZKJWYPNLG-RSPADSSTSA-N 2 1 328.500 3.400 20 0 EGADMP C[NH+](C[C@H](O)C[N@@H+]1CCCCC[C@@H]1/C=C\c1ccccc1)C1CC1 ZINC000519846575 459014613 /nfs/dbraw/zinc/01/46/13/459014613.db2.gz CLJDSZKJWYPNLG-RSPADSSTSA-N 2 1 328.500 3.400 20 0 EGADMP C[NH+](C[C@H](O)C[N@H+]1CCCCC[C@@H]1/C=C\c1ccccc1)C1CC1 ZINC000519846575 459014619 /nfs/dbraw/zinc/01/46/19/459014619.db2.gz CLJDSZKJWYPNLG-RSPADSSTSA-N 2 1 328.500 3.400 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccco2)cc1 ZINC000532025436 459018697 /nfs/dbraw/zinc/01/86/97/459018697.db2.gz RMIQQOBDKOOLSR-RDJZCZTQSA-N 2 1 339.439 3.276 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cnc(C4CC4)s3)CC2)CC1 ZINC000577497754 459042581 /nfs/dbraw/zinc/04/25/81/459042581.db2.gz PYNSAADLOMRAJG-UHFFFAOYSA-N 2 1 348.560 3.013 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC1(C)C ZINC000442876951 459050364 /nfs/dbraw/zinc/05/03/64/459050364.db2.gz SWHNYPQCHOWSME-LJQANCHMSA-N 2 1 329.532 3.415 20 0 EGADMP CC(C)C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)NC(=O)OC(C)(C)C ZINC000496060894 459051527 /nfs/dbraw/zinc/05/15/27/459051527.db2.gz KRLRLODAAFLVHN-INIZCTEOSA-N 2 1 339.524 3.142 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC1(C)C ZINC000442889299 459054799 /nfs/dbraw/zinc/05/47/99/459054799.db2.gz JYAIZGXYFSICND-PMACEKPBSA-N 2 1 329.532 3.013 20 0 EGADMP CSc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000442894361 459057247 /nfs/dbraw/zinc/05/72/47/459057247.db2.gz ZCXKTAZGIIBXKV-QGTPRVQTSA-N 2 1 334.529 3.437 20 0 EGADMP CCS[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594495977 459060106 /nfs/dbraw/zinc/06/01/06/459060106.db2.gz GCXZBPHWWZBWCI-RCCFBDPRSA-N 2 1 326.550 3.284 20 0 EGADMP COc1c(Br)cccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442928007 459062178 /nfs/dbraw/zinc/06/21/78/459062178.db2.gz PACCHCQACCCAFI-LBPRGKRZSA-N 2 1 327.266 3.019 20 0 EGADMP CC(C)[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(C)(C)O ZINC000477868739 459063123 /nfs/dbraw/zinc/06/31/23/459063123.db2.gz VZHDVPNAUKKNLP-NMLBUPMWSA-N 2 1 330.516 3.282 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000477917677 459066542 /nfs/dbraw/zinc/06/65/42/459066542.db2.gz OIVCUIZEOHHUTN-AZUAARDMSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477917677 459066545 /nfs/dbraw/zinc/06/65/45/459066545.db2.gz OIVCUIZEOHHUTN-AZUAARDMSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000477931108 459067763 /nfs/dbraw/zinc/06/77/63/459067763.db2.gz YIBZZWRMZOITNH-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000477931108 459067768 /nfs/dbraw/zinc/06/77/68/459067768.db2.gz YIBZZWRMZOITNH-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000443057500 459078878 /nfs/dbraw/zinc/07/88/78/459078878.db2.gz GSMXLQSGBRNWAO-SFHVURJKSA-N 2 1 343.515 3.413 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058289 459079161 /nfs/dbraw/zinc/07/91/61/459079161.db2.gz JWTXZNFDJFGAHC-OLZOCXBDSA-N 2 1 343.393 3.093 20 0 EGADMP CC[NH+](CC)CCOc1ccc(CNc2cc[nH+]cc2Cl)cc1 ZINC000478223755 459081801 /nfs/dbraw/zinc/08/18/01/459081801.db2.gz GCAYYJYLHXUCFT-UHFFFAOYSA-N 2 1 333.863 3.490 20 0 EGADMP CCc1ccc(-c2noc(C[NH+]3CCC(C[NH+](C)C)CC3)n2)cc1 ZINC000590125616 459088953 /nfs/dbraw/zinc/08/89/53/459088953.db2.gz DCSYIKKVCMCEDP-UHFFFAOYSA-N 2 1 328.460 3.073 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496160265 459092594 /nfs/dbraw/zinc/09/25/94/459092594.db2.gz SFVHTYIZZVLJJP-LTIDMASMSA-N 2 1 339.524 3.237 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496160265 459092596 /nfs/dbraw/zinc/09/25/96/459092596.db2.gz SFVHTYIZZVLJJP-LTIDMASMSA-N 2 1 339.524 3.237 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(F)cc3C)CC2)CC1 ZINC000577834984 459104712 /nfs/dbraw/zinc/10/47/12/459104712.db2.gz GJDODRDJKLZNAL-UHFFFAOYSA-N 2 1 347.478 3.269 20 0 EGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000532516939 459104679 /nfs/dbraw/zinc/10/46/79/459104679.db2.gz SAHSWBUKCAGQFF-IPJJNNNSSA-N 2 1 338.495 3.405 20 0 EGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000532516939 459104683 /nfs/dbraw/zinc/10/46/83/459104683.db2.gz SAHSWBUKCAGQFF-IPJJNNNSSA-N 2 1 338.495 3.405 20 0 EGADMP Cc1ccsc1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000520932810 459106136 /nfs/dbraw/zinc/10/61/36/459106136.db2.gz MJKGYGYMVMDAJH-HNNXBMFYSA-N 2 1 335.542 3.196 20 0 EGADMP CCc1ccc(NC(=O)CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000532538223 459107687 /nfs/dbraw/zinc/10/76/87/459107687.db2.gz NYQDDEDQDZJRQX-UHFFFAOYSA-N 2 1 331.504 3.240 20 0 EGADMP CCc1ccc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000532538223 459107693 /nfs/dbraw/zinc/10/76/93/459107693.db2.gz NYQDDEDQDZJRQX-UHFFFAOYSA-N 2 1 331.504 3.240 20 0 EGADMP CCc1ccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000532538223 459107699 /nfs/dbraw/zinc/10/76/99/459107699.db2.gz NYQDDEDQDZJRQX-UHFFFAOYSA-N 2 1 331.504 3.240 20 0 EGADMP [NH3+]C[C@H]([NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1)C1CCCC1 ZINC000496211718 459109885 /nfs/dbraw/zinc/10/98/85/459109885.db2.gz GTTSXVMZLKPEPL-HKUYNNGSSA-N 2 1 345.487 3.147 20 0 EGADMP CCC[NH2+][C@@H](C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000521037316 459114205 /nfs/dbraw/zinc/11/42/05/459114205.db2.gz DJNNKDSNLQAQQN-IRXDYDNUSA-N 2 1 331.504 3.065 20 0 EGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000496240044 459119988 /nfs/dbraw/zinc/11/99/88/459119988.db2.gz SANLZDXPECUDAF-IRXDYDNUSA-N 2 1 341.540 3.199 20 0 EGADMP CC(C)C[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000521380189 459145614 /nfs/dbraw/zinc/14/56/14/459145614.db2.gz OCOAXPORZDICHE-IEBWSBKVSA-N 2 1 333.520 3.208 20 0 EGADMP CCc1cnc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000578196464 459159495 /nfs/dbraw/zinc/15/94/95/459159495.db2.gz JDUXLWACJQHAQH-MJGOQNOKSA-N 2 1 327.472 3.409 20 0 EGADMP CCc1cnc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000578196464 459159501 /nfs/dbraw/zinc/15/95/01/459159501.db2.gz JDUXLWACJQHAQH-MJGOQNOKSA-N 2 1 327.472 3.409 20 0 EGADMP Fc1ccccc1COc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479960292 459175193 /nfs/dbraw/zinc/17/51/93/459175193.db2.gz GBQNJFOSVDVKRZ-HDICACEKSA-N 2 1 326.415 3.056 20 0 EGADMP Fc1ccccc1COc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479960292 459175197 /nfs/dbraw/zinc/17/51/97/459175197.db2.gz GBQNJFOSVDVKRZ-HDICACEKSA-N 2 1 326.415 3.056 20 0 EGADMP COc1cccc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000480312594 459193522 /nfs/dbraw/zinc/19/35/22/459193522.db2.gz ZKFZXRLOWLKKEU-HKUYNNGSSA-N 2 1 339.483 3.481 20 0 EGADMP C[C@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000480625094 459209426 /nfs/dbraw/zinc/20/94/26/459209426.db2.gz MOHCHGOESDQMMW-QRVBRYPASA-N 2 1 347.547 3.398 20 0 EGADMP C[C@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000480625094 459209433 /nfs/dbraw/zinc/20/94/33/459209433.db2.gz MOHCHGOESDQMMW-QRVBRYPASA-N 2 1 347.547 3.398 20 0 EGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000480658193 459211171 /nfs/dbraw/zinc/21/11/71/459211171.db2.gz AEDNGKURGNCJRN-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP COCC[N@@H+](C)CC[C@@H](N[C@@H](C)c1cncnc1C)c1ccccc1 ZINC000578522365 459215434 /nfs/dbraw/zinc/21/54/34/459215434.db2.gz JLVMALPTVGLNLK-FXAWDEMLSA-N 2 1 342.487 3.145 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc(Cc3ccccc3)no2)CC1 ZINC000590786178 459218339 /nfs/dbraw/zinc/21/83/39/459218339.db2.gz FQGBFBCLBULKFS-UHFFFAOYSA-N 2 1 342.487 3.213 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc(Cc3ccccc3)no2)CC1 ZINC000590786178 459218343 /nfs/dbraw/zinc/21/83/43/459218343.db2.gz FQGBFBCLBULKFS-UHFFFAOYSA-N 2 1 342.487 3.213 20 0 EGADMP COc1cc2c(cc1C[N@H+]1CC[C@@H](C3CC[NH+](C)CC3)C1)O[C@@H](C)C2 ZINC000568140261 459231180 /nfs/dbraw/zinc/23/11/80/459231180.db2.gz CHMYEIQUSNDZMV-DOTOQJQBSA-N 2 1 344.499 3.182 20 0 EGADMP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000568177007 459240202 /nfs/dbraw/zinc/24/02/02/459240202.db2.gz KRAFHCKWBVVPQN-INIZCTEOSA-N 2 1 344.421 3.230 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000568177007 459240209 /nfs/dbraw/zinc/24/02/09/459240209.db2.gz KRAFHCKWBVVPQN-INIZCTEOSA-N 2 1 344.421 3.230 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000568177007 459240217 /nfs/dbraw/zinc/24/02/17/459240217.db2.gz KRAFHCKWBVVPQN-INIZCTEOSA-N 2 1 344.421 3.230 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000568177007 459240226 /nfs/dbraw/zinc/24/02/26/459240226.db2.gz KRAFHCKWBVVPQN-INIZCTEOSA-N 2 1 344.421 3.230 20 0 EGADMP CC(C)c1nnc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)[nH]1 ZINC000559790520 459277407 /nfs/dbraw/zinc/27/74/07/459277407.db2.gz YBTBYSPCACTGGY-UAGQMJEPSA-N 2 1 327.476 3.414 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)[C@@H](C)C1 ZINC000559912281 459284722 /nfs/dbraw/zinc/28/47/22/459284722.db2.gz VOTHPXAUAUSFIM-MAUKXSAKSA-N 2 1 348.560 3.374 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCc2ccc3c(c2)CCO3)C1 ZINC000482157098 459294786 /nfs/dbraw/zinc/29/47/86/459294786.db2.gz ZVBYUSYVBYDLGL-IBGZPJMESA-N 2 1 328.500 3.218 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000482157098 459294789 /nfs/dbraw/zinc/29/47/89/459294789.db2.gz ZVBYUSYVBYDLGL-IBGZPJMESA-N 2 1 328.500 3.218 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000482157098 459294794 /nfs/dbraw/zinc/29/47/94/459294794.db2.gz ZVBYUSYVBYDLGL-IBGZPJMESA-N 2 1 328.500 3.218 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CC[NH+](C(C)C)C2)cc1)C(C)C ZINC000523455775 459305468 /nfs/dbraw/zinc/30/54/68/459305468.db2.gz JUGSOXOIGXHFJS-IBGZPJMESA-N 2 1 345.531 3.377 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1)C(C)C ZINC000523455775 459305472 /nfs/dbraw/zinc/30/54/72/459305472.db2.gz JUGSOXOIGXHFJS-IBGZPJMESA-N 2 1 345.531 3.377 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1)C(C)C ZINC000523455775 459305476 /nfs/dbraw/zinc/30/54/76/459305476.db2.gz JUGSOXOIGXHFJS-IBGZPJMESA-N 2 1 345.531 3.377 20 0 EGADMP Fc1ccc(-c2cnc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000582122818 459311944 /nfs/dbraw/zinc/31/19/44/459311944.db2.gz DGQLIMHENSYWBC-HOTGVXAUSA-N 2 1 329.419 3.302 20 0 EGADMP CC(C)C(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C(C)C ZINC000560255860 459316736 /nfs/dbraw/zinc/31/67/36/459316736.db2.gz BTLDXJLATFGXFH-CTNGQTDRSA-N 2 1 332.532 3.387 20 0 EGADMP CC(C)C(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C(C)C ZINC000560255860 459316740 /nfs/dbraw/zinc/31/67/40/459316740.db2.gz BTLDXJLATFGXFH-CTNGQTDRSA-N 2 1 332.532 3.387 20 0 EGADMP CO[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@@H](OC)C(C)(C)C2)CC1(C)C ZINC000560285161 459318630 /nfs/dbraw/zinc/31/86/30/459318630.db2.gz FLFRKAUGFWTGRZ-QZTJIDSGSA-N 2 1 340.552 3.260 20 0 EGADMP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000496781691 459322832 /nfs/dbraw/zinc/32/28/32/459322832.db2.gz OGRYVXPNPLTPLP-HOTGVXAUSA-N 2 1 327.513 3.001 20 0 EGADMP COc1cc2[nH]c(CCC[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2c(OC)c1 ZINC000484310747 459411636 /nfs/dbraw/zinc/41/16/36/459411636.db2.gz PTVHKDFWQDEYDZ-KBXCAEBGSA-N 2 1 345.487 3.048 20 0 EGADMP COc1cc2[nH]c(CCC[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)cc2c(OC)c1 ZINC000484310748 459411760 /nfs/dbraw/zinc/41/17/60/459411760.db2.gz PTVHKDFWQDEYDZ-RDTXWAMCSA-N 2 1 345.487 3.048 20 0 EGADMP CCc1c(C)[nH+]c2ccccc2c1N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000561356470 459445380 /nfs/dbraw/zinc/44/53/80/459445380.db2.gz OXMZQENTUIYPRY-WBVHZDCISA-N 2 1 339.483 3.405 20 0 EGADMP CSc1ccc2c(c1)[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)CCC2 ZINC000569456867 459454424 /nfs/dbraw/zinc/45/44/24/459454424.db2.gz GTBIKCHJAUAVGL-HXUWFJFHSA-N 2 1 347.572 3.403 20 0 EGADMP CCC(CC)(CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000486248899 459495038 /nfs/dbraw/zinc/49/50/38/459495038.db2.gz HNQARBGQWCUCEK-YQVWRLOYSA-N 2 1 345.531 3.210 20 0 EGADMP CC[C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000569707269 459497441 /nfs/dbraw/zinc/49/74/41/459497441.db2.gz XCWBCPJYQNJCOE-SJORKVTESA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000569924579 459531849 /nfs/dbraw/zinc/53/18/49/459531849.db2.gz ZMYUTIKRTRAWCZ-IBGZPJMESA-N 2 1 345.531 3.291 20 0 EGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@@H](C)n1ccnc1 ZINC000583502688 459550968 /nfs/dbraw/zinc/55/09/68/459550968.db2.gz AXFZORXCXFBCLA-MJGOQNOKSA-N 2 1 342.487 3.107 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000498011439 459565210 /nfs/dbraw/zinc/56/52/10/459565210.db2.gz OTUCQYSCSRTLTN-QYZOEREBSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCCC[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000562502981 459574257 /nfs/dbraw/zinc/57/42/57/459574257.db2.gz RUDMEVARRHQRNU-YRPNKDGESA-N 2 1 340.552 3.017 20 0 EGADMP C[C@@H](O)C[C@@H]1CCCC[NH+]1CCCC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000562502981 459574262 /nfs/dbraw/zinc/57/42/62/459574262.db2.gz RUDMEVARRHQRNU-YRPNKDGESA-N 2 1 340.552 3.017 20 0 EGADMP C[C@@H](O)C[C@@H]1CCCC[NH+]1CCCC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000562502981 459574264 /nfs/dbraw/zinc/57/42/64/459574264.db2.gz RUDMEVARRHQRNU-YRPNKDGESA-N 2 1 340.552 3.017 20 0 EGADMP C[N@@H+](CCC[NH2+]CCC(=O)Nc1ccccc1)Cc1ccccc1 ZINC000562986653 459687105 /nfs/dbraw/zinc/68/71/05/459687105.db2.gz QQTQPUCVSIWNGG-UHFFFAOYSA-N 2 1 325.456 3.127 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)c1 ZINC000562987617 459687591 /nfs/dbraw/zinc/68/75/91/459687591.db2.gz TYEXQMBRPYOUNW-DYESRHJHSA-N 2 1 326.484 3.393 20 0 EGADMP Fc1cccc(Br)c1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000584291441 459702998 /nfs/dbraw/zinc/70/29/98/459702998.db2.gz QFGDONQDMBRISP-CYBMUJFWSA-N 2 1 341.268 3.410 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[C@@H]1c1cccs1 ZINC000584408737 459730120 /nfs/dbraw/zinc/73/01/20/459730120.db2.gz FMRHTGZFAHUGDN-CYJAXWMASA-N 2 1 349.544 3.155 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CC[NH+]3CCCCC3)C2)s1 ZINC000563217237 459741316 /nfs/dbraw/zinc/74/13/16/459741316.db2.gz MSHODVNOUQFXKY-GOSISDBHSA-N 2 1 335.561 3.296 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)[C@H]2CC23CC3)CC1 ZINC000527845100 459756833 /nfs/dbraw/zinc/75/68/33/459756833.db2.gz CCEIWKSQRZDINX-FXAWDEMLSA-N 2 1 327.516 3.102 20 0 EGADMP CCc1ccc(-c2noc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000584529878 459762727 /nfs/dbraw/zinc/76/27/27/459762727.db2.gz CUCGSVNIZWOZQQ-GOSISDBHSA-N 2 1 340.471 3.121 20 0 EGADMP C[NH+](C)[C@H](CC(=O)N1CCC[N@@H+](CC2CCC2)CC1)c1ccccc1 ZINC000584729053 459792288 /nfs/dbraw/zinc/79/22/88/459792288.db2.gz CEIPVUGATBMWGM-HXUWFJFHSA-N 2 1 343.515 3.014 20 0 EGADMP COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000545937244 459875700 /nfs/dbraw/zinc/87/57/00/459875700.db2.gz MJORBFCNYJTWOG-LJQANCHMSA-N 2 1 332.488 3.261 20 0 EGADMP COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000545937244 459875702 /nfs/dbraw/zinc/87/57/02/459875702.db2.gz MJORBFCNYJTWOG-LJQANCHMSA-N 2 1 332.488 3.261 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C/C=C/c3c(C)cc(C)cc3C)C2)CC1 ZINC000602467722 459953484 /nfs/dbraw/zinc/95/34/84/459953484.db2.gz YUMRNIHEIQJTOJ-BXKJMJEDSA-N 2 1 341.543 3.337 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000588686613 459967674 /nfs/dbraw/zinc/96/76/74/459967674.db2.gz HRAWRAPHPPDQLQ-HKUYNNGSSA-N 2 1 330.497 3.282 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000588686613 459967682 /nfs/dbraw/zinc/96/76/82/459967682.db2.gz HRAWRAPHPPDQLQ-HKUYNNGSSA-N 2 1 330.497 3.282 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccccc2-n2cncn2)c1 ZINC000588689519 459970433 /nfs/dbraw/zinc/97/04/33/459970433.db2.gz WWZHDIZIDBCNKW-UHFFFAOYSA-N 2 1 349.482 3.397 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c2ccccc21 ZINC000621750200 460047651 /nfs/dbraw/zinc/04/76/51/460047651.db2.gz KPDWRFODVCUMML-HLIPFELVSA-N 2 1 343.515 3.442 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c2ccccc21 ZINC000599069671 460150984 /nfs/dbraw/zinc/15/09/84/460150984.db2.gz IFADHBGMVMXTJN-DBVUQKKJSA-N 2 1 344.499 3.490 20 0 EGADMP CC(C)(C)CNC(=O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000625401540 460162356 /nfs/dbraw/zinc/16/23/56/460162356.db2.gz VORMRPNHBFOVAN-GOSISDBHSA-N 2 1 345.531 3.039 20 0 EGADMP CC(C)(C)CNC(=O)C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000625401540 460162361 /nfs/dbraw/zinc/16/23/61/460162361.db2.gz VORMRPNHBFOVAN-GOSISDBHSA-N 2 1 345.531 3.039 20 0 EGADMP C[N@H+]1CCCC[C@H]1CCN1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798894 460267918 /nfs/dbraw/zinc/26/79/18/460267918.db2.gz HPXXKNDJBPISLK-UWJYYQICSA-N 2 1 342.483 3.361 20 0 EGADMP CN1CCCC[C@H]1CC[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798894 460267924 /nfs/dbraw/zinc/26/79/24/460267924.db2.gz HPXXKNDJBPISLK-UWJYYQICSA-N 2 1 342.483 3.361 20 0 EGADMP CN1CCCC[C@H]1CC[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798894 460267929 /nfs/dbraw/zinc/26/79/29/460267929.db2.gz HPXXKNDJBPISLK-UWJYYQICSA-N 2 1 342.483 3.361 20 0 EGADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000622550163 460276306 /nfs/dbraw/zinc/27/63/06/460276306.db2.gz ACUUSIMHSXGGSC-IBGZPJMESA-N 2 1 335.536 3.118 20 0 EGADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000622569216 460280980 /nfs/dbraw/zinc/28/09/80/460280980.db2.gz WCBYMJNYPXVIFV-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622569216 460280982 /nfs/dbraw/zinc/28/09/82/460280982.db2.gz WCBYMJNYPXVIFV-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000622569216 460280986 /nfs/dbraw/zinc/28/09/86/460280986.db2.gz WCBYMJNYPXVIFV-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1C[C@@H]1C[N@@H+](CCCC[NH+](C)[C@H]1CCCOC1)[C@H]1CCCOC1 ZINC000625932517 460308209 /nfs/dbraw/zinc/30/82/09/460308209.db2.gz AMUWRAAKTLKYNQ-ZRNYENFQSA-N 2 1 338.536 3.014 20 0 EGADMP C[C@@H]1C[C@@H]1C[NH+](CCCC[N@H+](C)[C@H]1CCCOC1)[C@H]1CCCOC1 ZINC000625932517 460308213 /nfs/dbraw/zinc/30/82/13/460308213.db2.gz AMUWRAAKTLKYNQ-ZRNYENFQSA-N 2 1 338.536 3.014 20 0 EGADMP C[C@@H]1C[C@@H]1C[NH+](CCCC[N@@H+](C)[C@H]1CCCOC1)[C@H]1CCCOC1 ZINC000625932517 460308217 /nfs/dbraw/zinc/30/82/17/460308217.db2.gz AMUWRAAKTLKYNQ-ZRNYENFQSA-N 2 1 338.536 3.014 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000619425898 460352554 /nfs/dbraw/zinc/35/25/54/460352554.db2.gz LSOLUUPBBNSFCL-SFHVURJKSA-N 2 1 332.488 3.078 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1C ZINC000600123987 460392603 /nfs/dbraw/zinc/39/26/03/460392603.db2.gz KVSWBMFHWPHXBE-KRWDZBQOSA-N 2 1 347.503 3.116 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1C ZINC000600123987 460392610 /nfs/dbraw/zinc/39/26/10/460392610.db2.gz KVSWBMFHWPHXBE-KRWDZBQOSA-N 2 1 347.503 3.116 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)c1C ZINC000600124586 460393177 /nfs/dbraw/zinc/39/31/77/460393177.db2.gz NUDLAHVSTJVCFG-XJKSGUPXSA-N 2 1 335.492 3.113 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)c1C ZINC000600124586 460393183 /nfs/dbraw/zinc/39/31/83/460393183.db2.gz NUDLAHVSTJVCFG-XJKSGUPXSA-N 2 1 335.492 3.113 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1C ZINC000600124586 460393186 /nfs/dbraw/zinc/39/31/86/460393186.db2.gz NUDLAHVSTJVCFG-XJKSGUPXSA-N 2 1 335.492 3.113 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)c1C ZINC000600124586 460393194 /nfs/dbraw/zinc/39/31/94/460393194.db2.gz NUDLAHVSTJVCFG-XJKSGUPXSA-N 2 1 335.492 3.113 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)C1(F)F ZINC000628391376 460396121 /nfs/dbraw/zinc/39/61/21/460396121.db2.gz YGFCHZHOVMJJOJ-GASCZTMLSA-N 2 1 326.431 3.350 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000600190857 460430257 /nfs/dbraw/zinc/43/02/57/460430257.db2.gz NHUNKGLECMDMAS-KRWDZBQOSA-N 2 1 332.488 3.463 20 0 EGADMP CCOC(=O)[C@@H](CC(C)C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000611727204 460441708 /nfs/dbraw/zinc/44/17/08/460441708.db2.gz XMFDQCDUJODWCA-HXUWFJFHSA-N 2 1 346.515 3.466 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000631576855 460452444 /nfs/dbraw/zinc/45/24/44/460452444.db2.gz ZWVKHCAQHBOWME-TUFLPTIASA-N 2 1 340.511 3.098 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000631665032 460500292 /nfs/dbraw/zinc/50/02/92/460500292.db2.gz UOFUUBXVVYDSSU-WIYYLYMNSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000631665032 460500298 /nfs/dbraw/zinc/50/02/98/460500298.db2.gz UOFUUBXVVYDSSU-WIYYLYMNSA-N 3 1 341.543 3.219 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000631665032 460500305 /nfs/dbraw/zinc/50/03/05/460500305.db2.gz UOFUUBXVVYDSSU-WIYYLYMNSA-N 3 1 341.543 3.219 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1)C(C)C ZINC000634761443 460513132 /nfs/dbraw/zinc/51/31/32/460513132.db2.gz BNPBKJCRYQECHO-LJQANCHMSA-N 2 1 345.531 3.425 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(C)c(Br)cn1 ZINC000623402777 460530043 /nfs/dbraw/zinc/53/00/43/460530043.db2.gz ZAJMKIFHVFNOMU-NSHDSACASA-N 2 1 337.265 3.083 20 0 EGADMP Fc1ccccc1-c1nc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)co1 ZINC000629533184 460799343 /nfs/dbraw/zinc/79/93/43/460799343.db2.gz MFEQSRNQOURIIF-LSDHHAIUSA-N 2 1 329.419 3.302 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1)c1c[nH+]ccc1N ZINC000629545243 460803234 /nfs/dbraw/zinc/80/32/34/460803234.db2.gz KXRWMBCEUKJOFW-AAEUAGOBSA-N 2 1 334.826 3.216 20 0 EGADMP CC1(C)CCc2ccccc2[C@@H]([NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000629550870 460804393 /nfs/dbraw/zinc/80/43/93/460804393.db2.gz PNTSISRPOYPGHD-MJGOQNOKSA-N 2 1 339.487 3.006 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)CC[C@@H]1C(F)(F)F ZINC000629563384 460811512 /nfs/dbraw/zinc/81/15/12/460811512.db2.gz DXSGMGDBVDVTES-DOMZBBRYSA-N 2 1 334.357 3.054 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)CC[C@@H]1C(F)(F)F ZINC000629563384 460811519 /nfs/dbraw/zinc/81/15/19/460811519.db2.gz DXSGMGDBVDVTES-DOMZBBRYSA-N 2 1 334.357 3.054 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000635496377 460812706 /nfs/dbraw/zinc/81/27/06/460812706.db2.gz VXIQWAWCPVUSPR-INIZCTEOSA-N 2 1 342.487 3.252 20 0 EGADMP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)CC(C)(C)C ZINC000601477404 460818769 /nfs/dbraw/zinc/81/87/69/460818769.db2.gz SAMVNFGJWBDWJA-FUHWJXTLSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H](CC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)CC(C)(C)C ZINC000601477404 460818774 /nfs/dbraw/zinc/81/87/74/460818774.db2.gz SAMVNFGJWBDWJA-FUHWJXTLSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000607281699 460820019 /nfs/dbraw/zinc/82/00/19/460820019.db2.gz YDEMDRRREZOROD-BBWFWOEESA-N 2 1 331.504 3.105 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635573529 460838126 /nfs/dbraw/zinc/83/81/26/460838126.db2.gz GQKKHFSBPDOORB-QGZVFWFLSA-N 2 1 345.531 3.306 20 0 EGADMP CC(=O)N1CC[C@H](NC[C@H]2CC[N@@H+]2C2CCCCC2)c2ccccc21 ZINC000624078155 460847887 /nfs/dbraw/zinc/84/78/87/460847887.db2.gz UPEFDIKLILOZER-QUCCMNQESA-N 2 1 341.499 3.481 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000624121240 460870404 /nfs/dbraw/zinc/87/04/04/460870404.db2.gz QXXAHDOEVACIKJ-ZGGTZUKQSA-N 2 1 341.499 3.141 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624120851 460870827 /nfs/dbraw/zinc/87/08/27/460870827.db2.gz IJPVOYWXEMRMOP-ROUUACIJSA-N 3 1 333.520 3.010 20 0 EGADMP C[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624120851 460870832 /nfs/dbraw/zinc/87/08/32/460870832.db2.gz IJPVOYWXEMRMOP-ROUUACIJSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624120851 460870839 /nfs/dbraw/zinc/87/08/39/460870839.db2.gz IJPVOYWXEMRMOP-ROUUACIJSA-N 2 1 333.520 3.010 20 0 EGADMP C[NH2+]CC1(c2ccc(-c3ccccc3CN3CC[NH+](C)CC3)cc2)CC1 ZINC000629735320 460897289 /nfs/dbraw/zinc/89/72/89/460897289.db2.gz RAIVLTIUSPRHRS-UHFFFAOYSA-N 2 1 349.522 3.352 20 0 EGADMP CCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000629971141 460980611 /nfs/dbraw/zinc/98/06/11/460980611.db2.gz ASOBMPOVQKTMQC-PXNSSMCTSA-N 2 1 343.515 3.155 20 0 EGADMP CCN(C(=O)C[N@H+](C)C1CCC1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000629971141 460980616 /nfs/dbraw/zinc/98/06/16/460980616.db2.gz ASOBMPOVQKTMQC-PXNSSMCTSA-N 2 1 343.515 3.155 20 0 EGADMP CCN(C(=O)C[N@@H+](C)C1CCC1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000629971141 460980619 /nfs/dbraw/zinc/98/06/19/460980619.db2.gz ASOBMPOVQKTMQC-PXNSSMCTSA-N 2 1 343.515 3.155 20 0 EGADMP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]Cc3cnc4ccccc4n3)C2)cc1 ZINC000628211582 461050333 /nfs/dbraw/zinc/05/03/33/461050333.db2.gz JTUAQVKIAUEBFZ-LJQANCHMSA-N 2 1 346.478 3.284 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]Cc3cnc4ccccc4n3)C2)cc1 ZINC000628211582 461050338 /nfs/dbraw/zinc/05/03/38/461050338.db2.gz JTUAQVKIAUEBFZ-LJQANCHMSA-N 2 1 346.478 3.284 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(C)c(Br)cn1 ZINC000628280186 461071756 /nfs/dbraw/zinc/07/17/56/461071756.db2.gz VAERJNGQWCGJMN-UHFFFAOYSA-N 2 1 337.265 3.180 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(C)c(Br)cn1 ZINC000628280186 461071759 /nfs/dbraw/zinc/07/17/59/461071759.db2.gz VAERJNGQWCGJMN-UHFFFAOYSA-N 2 1 337.265 3.180 20 0 EGADMP CN(C)c1c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc(F)c1F ZINC000628280296 461071860 /nfs/dbraw/zinc/07/18/60/461071860.db2.gz ZHIUNQTWSASEQJ-OAHLLOKOSA-N 2 1 337.458 3.195 20 0 EGADMP CC(C)n1cc(C2=CCC[N@H+]([C@H]3CC[NH+](C)C(C)(C)C3)CC2)nn1 ZINC000628298776 461080125 /nfs/dbraw/zinc/08/01/25/461080125.db2.gz QZFWOBKWIXFBCS-KRWDZBQOSA-N 2 1 331.508 3.211 20 0 EGADMP CC(C)n1cc(C2=CCC[NH+]([C@H]3CC[N@H+](C)C(C)(C)C3)CC2)nn1 ZINC000628298776 461080129 /nfs/dbraw/zinc/08/01/29/461080129.db2.gz QZFWOBKWIXFBCS-KRWDZBQOSA-N 2 1 331.508 3.211 20 0 EGADMP CC(C)n1cc(C2=CCC[NH+]([C@H]3CC[N@@H+](C)C(C)(C)C3)CC2)nn1 ZINC000628298776 461080133 /nfs/dbraw/zinc/08/01/33/461080133.db2.gz QZFWOBKWIXFBCS-KRWDZBQOSA-N 2 1 331.508 3.211 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cc2)n1 ZINC000652355110 461151312 /nfs/dbraw/zinc/15/13/12/461151312.db2.gz PMBMHJTXNATPOE-QRWLVFNGSA-N 2 1 326.488 3.438 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC[C@H]3CCc4ccccc43)C2)C1 ZINC000662286942 461167268 /nfs/dbraw/zinc/16/72/68/461167268.db2.gz UQDNVWXKDXRXSK-HDAAZOAOSA-N 2 1 328.500 3.325 20 0 EGADMP CC[C@H](OCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000649551255 461169790 /nfs/dbraw/zinc/16/97/90/461169790.db2.gz SMMKICMXQVSVQM-FQEVSTJZSA-N 2 1 325.456 3.372 20 0 EGADMP Cc1cccc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)c1 ZINC000662293487 461170383 /nfs/dbraw/zinc/17/03/83/461170383.db2.gz SQJIPRGTWLDAFB-GOSISDBHSA-N 2 1 340.471 3.257 20 0 EGADMP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294187 461173927 /nfs/dbraw/zinc/17/39/27/461173927.db2.gz PQHWEZSYFWBPCG-SJLPKXTDSA-N 2 1 339.487 3.040 20 0 EGADMP O=C(CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccccc1Cl ZINC000662295664 461174644 /nfs/dbraw/zinc/17/46/44/461174644.db2.gz HODNFYVKJLADJD-INIZCTEOSA-N 2 1 349.906 3.380 20 0 EGADMP CC[C@H](OCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000649566130 461181016 /nfs/dbraw/zinc/18/10/16/461181016.db2.gz CSLOTPKXYNZFBC-MXEMCNAFSA-N 2 1 346.515 3.338 20 0 EGADMP CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662317354 461190184 /nfs/dbraw/zinc/19/01/84/461190184.db2.gz QJCJDIBEKZMWCZ-SJLPKXTDSA-N 2 1 347.503 3.253 20 0 EGADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(C[NH+]2CCCC2)c1 ZINC000655352893 461202065 /nfs/dbraw/zinc/20/20/65/461202065.db2.gz QGSKMRHIWYNQHI-UXHICEINSA-N 2 1 341.499 3.029 20 0 EGADMP CO[C@H](C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000638030282 461205274 /nfs/dbraw/zinc/20/52/74/461205274.db2.gz DZUMWGPCJKWHFA-OAQYLSRUSA-N 2 1 346.515 3.024 20 0 EGADMP CO[C@H](C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000638030282 461205292 /nfs/dbraw/zinc/20/52/92/461205292.db2.gz DZUMWGPCJKWHFA-OAQYLSRUSA-N 2 1 346.515 3.024 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000662459296 461252282 /nfs/dbraw/zinc/25/22/82/461252282.db2.gz FXRNYUOMESGRNZ-OTWHNJEPSA-N 2 1 337.552 3.111 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638128474 461260371 /nfs/dbraw/zinc/26/03/71/461260371.db2.gz UJZZTDPTNXURKN-MAUKXSAKSA-N 2 1 332.488 3.355 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638128474 461260375 /nfs/dbraw/zinc/26/03/75/461260375.db2.gz UJZZTDPTNXURKN-MAUKXSAKSA-N 2 1 332.488 3.355 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638128474 461260378 /nfs/dbraw/zinc/26/03/78/461260378.db2.gz UJZZTDPTNXURKN-MAUKXSAKSA-N 2 1 332.488 3.355 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638128474 461260380 /nfs/dbraw/zinc/26/03/80/461260380.db2.gz UJZZTDPTNXURKN-MAUKXSAKSA-N 2 1 332.488 3.355 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000633802776 461279548 /nfs/dbraw/zinc/27/95/48/461279548.db2.gz JVZFNJZSHDUUFG-LMMKCTJWSA-N 2 1 345.531 3.037 20 0 EGADMP CN(CCCC[NH+]1CCCCC1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000641660712 461307987 /nfs/dbraw/zinc/30/79/87/461307987.db2.gz AGOFTFSWTMQCPO-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000638211366 461310505 /nfs/dbraw/zinc/31/05/05/461310505.db2.gz PYIAJJOFDQKQBI-UHFFFAOYSA-N 2 1 340.349 3.123 20 0 EGADMP C[N@@H+]1CCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)c2ccccc2C1 ZINC000662720146 461355444 /nfs/dbraw/zinc/35/54/44/461355444.db2.gz UCNZTYKHLAPXHJ-GOSISDBHSA-N 2 1 349.478 3.157 20 0 EGADMP C[N@H+]1CCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)c2ccccc2C1 ZINC000662720146 461355451 /nfs/dbraw/zinc/35/54/51/461355451.db2.gz UCNZTYKHLAPXHJ-GOSISDBHSA-N 2 1 349.478 3.157 20 0 EGADMP COc1cc(C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000638302757 461355553 /nfs/dbraw/zinc/35/55/53/461355553.db2.gz WYXPDEAFCIONMR-QGZVFWFLSA-N 2 1 339.483 3.275 20 0 EGADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655696644 461369927 /nfs/dbraw/zinc/36/99/27/461369927.db2.gz IEOJOODCEQVSCJ-GOSISDBHSA-N 2 1 336.907 3.461 20 0 EGADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000641803689 461379956 /nfs/dbraw/zinc/37/99/56/461379956.db2.gz DLZFUVMAUCHYGY-VXGBXAGGSA-N 2 1 349.784 3.013 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000641805873 461380035 /nfs/dbraw/zinc/38/00/35/461380035.db2.gz PDCJVOIXICVUMD-AQUOVQTQSA-N 2 1 330.259 3.036 20 0 EGADMP COc1ccc([C@@H](C)CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655716258 461385278 /nfs/dbraw/zinc/38/52/78/461385278.db2.gz VFRQPNXQBQCBRL-LAUBAEHRSA-N 2 1 346.515 3.422 20 0 EGADMP COc1ccc(C(C)(C)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655725861 461395259 /nfs/dbraw/zinc/39/52/59/461395259.db2.gz ZSFIMPIBLJDNNW-FQEVSTJZSA-N 2 1 346.515 3.206 20 0 EGADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(F)c1 ZINC000655728852 461397333 /nfs/dbraw/zinc/39/73/33/461397333.db2.gz YZIUXSDPWQQCKX-IBGZPJMESA-N 2 1 334.479 3.336 20 0 EGADMP c1ccc2c(c1)CC[C@@H](C[NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000655730648 461399860 /nfs/dbraw/zinc/39/98/60/461399860.db2.gz QBSSOMKPSANLBJ-UTKZUKDTSA-N 2 1 328.500 3.025 20 0 EGADMP c1ccc2c(c1)CC(CC[NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000655735945 461403372 /nfs/dbraw/zinc/40/33/72/461403372.db2.gz ABTCHADKUXOCLH-OAQYLSRUSA-N 2 1 328.500 3.025 20 0 EGADMP COc1ccc(C[C@@H](C)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655737632 461405213 /nfs/dbraw/zinc/40/52/13/461405213.db2.gz PTJIWSAPXCQLOI-DYESRHJHSA-N 2 1 346.515 3.107 20 0 EGADMP Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2)cs1 ZINC000641966594 461421494 /nfs/dbraw/zinc/42/14/94/461421494.db2.gz XETCZKFRRCCSGT-KBXCAEBGSA-N 2 1 345.512 3.226 20 0 EGADMP c1ccc([C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)cc1 ZINC000655770643 461435049 /nfs/dbraw/zinc/43/50/49/461435049.db2.gz NBHDRGGEXAAUJW-NHCUHLMSSA-N 2 1 328.500 3.413 20 0 EGADMP c1ccc([C@@H]2CC[C@@H](C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)O2)cc1 ZINC000655780879 461443584 /nfs/dbraw/zinc/44/35/84/461443584.db2.gz PIMIGEJMFUGAQM-HBMCJLEFSA-N 2 1 344.499 3.140 20 0 EGADMP CC(=O)Nc1cccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000631042608 461496866 /nfs/dbraw/zinc/49/68/66/461496866.db2.gz KBLOYWGXSVCRSB-CALCHBBNSA-N 2 1 331.504 3.493 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000666220032 461514114 /nfs/dbraw/zinc/51/41/14/461514114.db2.gz ZKEPRWWKQIYNIE-IVAOSVALSA-N 2 1 346.515 3.071 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000666220032 461514117 /nfs/dbraw/zinc/51/41/17/461514117.db2.gz ZKEPRWWKQIYNIE-IVAOSVALSA-N 2 1 346.515 3.071 20 0 EGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC[C@@H]1Sc2ccccc2NC1=O ZINC000659959001 461517157 /nfs/dbraw/zinc/51/71/57/461517157.db2.gz BPCXGFATHHJQNX-QAPCUYQASA-N 2 1 347.528 3.296 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC[C@@H]1Sc2ccccc2NC1=O ZINC000659959001 461517163 /nfs/dbraw/zinc/51/71/63/461517163.db2.gz BPCXGFATHHJQNX-QAPCUYQASA-N 2 1 347.528 3.296 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC[C@@H]1Sc2ccccc2NC1=O ZINC000659959001 461517170 /nfs/dbraw/zinc/51/71/70/461517170.db2.gz BPCXGFATHHJQNX-QAPCUYQASA-N 2 1 347.528 3.296 20 0 EGADMP C[N@@H+]1CCC[C@H]2C[NH+](CCSc3ccc(F)cc3F)CC[C@H]21 ZINC000660010695 461545519 /nfs/dbraw/zinc/54/55/19/461545519.db2.gz KVPHUPJHFBPYBR-XJKSGUPXSA-N 2 1 326.456 3.473 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](CCSc3ccc(F)cc3F)CC[C@H]21 ZINC000660010695 461545525 /nfs/dbraw/zinc/54/55/25/461545525.db2.gz KVPHUPJHFBPYBR-XJKSGUPXSA-N 2 1 326.456 3.473 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](CCSc3ccc(F)cc3F)CC[C@H]21 ZINC000660010695 461545528 /nfs/dbraw/zinc/54/55/28/461545528.db2.gz KVPHUPJHFBPYBR-XJKSGUPXSA-N 2 1 326.456 3.473 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCSc3ccc(F)cc3F)CC[C@H]21 ZINC000660010695 461545535 /nfs/dbraw/zinc/54/55/35/461545535.db2.gz KVPHUPJHFBPYBR-XJKSGUPXSA-N 2 1 326.456 3.473 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000653201005 461554719 /nfs/dbraw/zinc/55/47/19/461554719.db2.gz WVQBUCQXOKILIE-YLJYHZDGSA-N 2 1 345.531 3.483 20 0 EGADMP CC[N@@H+](CCCNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000653200511 461555034 /nfs/dbraw/zinc/55/50/34/461555034.db2.gz GYYQVHZXLUEECQ-QZTJIDSGSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)Cn1nccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647207642 461564489 /nfs/dbraw/zinc/56/44/89/461564489.db2.gz DSFKGTZPUXBALZ-IBGZPJMESA-N 2 1 326.488 3.151 20 0 EGADMP CC(C)Cn1nccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647207642 461564495 /nfs/dbraw/zinc/56/44/95/461564495.db2.gz DSFKGTZPUXBALZ-IBGZPJMESA-N 2 1 326.488 3.151 20 0 EGADMP CC(C)Cn1nccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647207643 461565893 /nfs/dbraw/zinc/56/58/93/461565893.db2.gz DSFKGTZPUXBALZ-LJQANCHMSA-N 2 1 326.488 3.151 20 0 EGADMP CC(C)Cn1nccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647207643 461565900 /nfs/dbraw/zinc/56/59/00/461565900.db2.gz DSFKGTZPUXBALZ-LJQANCHMSA-N 2 1 326.488 3.151 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(C)(C)n2cncn2)cc1 ZINC000638768988 461569819 /nfs/dbraw/zinc/56/98/19/461569819.db2.gz IYFFBAABRBPUHL-HUUCEWRRSA-N 2 1 338.459 3.247 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000663343938 461570351 /nfs/dbraw/zinc/57/03/51/461570351.db2.gz KGZUINRRCZTUQD-QGZVFWFLSA-N 2 1 342.487 3.200 20 0 EGADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343950 461570986 /nfs/dbraw/zinc/57/09/86/461570986.db2.gz KQMHFYAJBHKDJC-IBGZPJMESA-N 2 1 338.499 3.392 20 0 EGADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343950 461570996 /nfs/dbraw/zinc/57/09/96/461570996.db2.gz KQMHFYAJBHKDJC-IBGZPJMESA-N 2 1 338.499 3.392 20 0 EGADMP CC(=O)Nc1cccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000631124270 461572334 /nfs/dbraw/zinc/57/23/34/461572334.db2.gz UFYMYKLEHCSJTM-HXUWFJFHSA-N 2 1 337.467 3.257 20 0 EGADMP Fc1ccc(-n2cc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cn2)cc1 ZINC000663345397 461574878 /nfs/dbraw/zinc/57/48/78/461574878.db2.gz JYQANXODQJQRKF-KRWDZBQOSA-N 2 1 342.462 3.223 20 0 EGADMP Fc1ccc(-n2cc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cn2)cc1 ZINC000663345397 461574882 /nfs/dbraw/zinc/57/48/82/461574882.db2.gz JYQANXODQJQRKF-KRWDZBQOSA-N 2 1 342.462 3.223 20 0 EGADMP Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2[nH+]ccc3[nH]ccc32)cc1 ZINC000663354131 461583565 /nfs/dbraw/zinc/58/35/65/461583565.db2.gz LMFXIQQVIMRAQC-IBGZPJMESA-N 2 1 336.439 3.357 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1O ZINC000631196388 461636799 /nfs/dbraw/zinc/63/67/99/461636799.db2.gz QUNXWEXAXFSWRO-VQIMIIECSA-N 2 1 340.467 3.259 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000663465389 461654764 /nfs/dbraw/zinc/65/47/64/461654764.db2.gz JQQHWEZZCOHUEJ-VQIMIIECSA-N 2 1 344.499 3.403 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(-n2ccnn2)c1 ZINC000663466575 461655122 /nfs/dbraw/zinc/65/51/22/461655122.db2.gz VSTYLAKNMHTBGU-FUHWJXTLSA-N 2 1 339.487 3.040 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)c(C)n2n1 ZINC000663467183 461658180 /nfs/dbraw/zinc/65/81/80/461658180.db2.gz DDZZTQNWHCKJFT-MAUKXSAKSA-N 2 1 341.503 3.119 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)c(C)n2n1 ZINC000663467183 461658188 /nfs/dbraw/zinc/65/81/88/461658188.db2.gz DDZZTQNWHCKJFT-MAUKXSAKSA-N 2 1 341.503 3.119 20 0 EGADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663469577 461660010 /nfs/dbraw/zinc/66/00/10/461660010.db2.gz QPPSKOCYNGQDIH-NVXWUHKLSA-N 2 1 332.488 3.476 20 0 EGADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663469577 461660013 /nfs/dbraw/zinc/66/00/13/461660013.db2.gz QPPSKOCYNGQDIH-NVXWUHKLSA-N 2 1 332.488 3.476 20 0 EGADMP Cc1cc(CO)cc(NCC2CC[NH+](Cc3cccs3)CC2)[nH+]1 ZINC000663478886 461666331 /nfs/dbraw/zinc/66/63/31/461666331.db2.gz XHEQFDRYEJYXHU-UHFFFAOYSA-N 2 1 331.485 3.268 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)[C@H]1OC ZINC000639047624 461689174 /nfs/dbraw/zinc/68/91/74/461689174.db2.gz MAPBKMPIYVKAJS-RSRIQPTJSA-N 2 1 344.499 3.137 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)[C@H]1OC ZINC000639047624 461689181 /nfs/dbraw/zinc/68/91/81/461689181.db2.gz MAPBKMPIYVKAJS-RSRIQPTJSA-N 2 1 344.499 3.137 20 0 EGADMP CCn1nc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c2ccccc21 ZINC000647543345 461756067 /nfs/dbraw/zinc/75/60/67/461756067.db2.gz LOUYNGGRTDQLMV-DLBZAZTESA-N 2 1 326.488 3.268 20 0 EGADMP c1cn(Cc2ccccc2)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647543160 461757500 /nfs/dbraw/zinc/75/75/00/461757500.db2.gz IIPIQZFNMXVJAJ-WOJBJXKFSA-N 2 1 338.499 3.143 20 0 EGADMP CO[C@@H](Cc1ccccc1)CN(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000639178272 461786116 /nfs/dbraw/zinc/78/61/16/461786116.db2.gz GXVNHOXXYWYKDA-NRFANRHFSA-N 2 1 342.483 3.434 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccccc3OCCCCO)C2)CC1 ZINC000639178176 461786167 /nfs/dbraw/zinc/78/61/67/461786167.db2.gz ZVZUXZOUDNIYMX-IBGZPJMESA-N 2 1 346.515 3.002 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@@H+](C)C[C@H]1CCn3ccnc3C1)CC2 ZINC000639178434 461786254 /nfs/dbraw/zinc/78/62/54/461786254.db2.gz IPUYFTZXHXZMHR-YOEHRIQHSA-N 2 1 341.455 3.082 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@H+](C)C[C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000639178434 461786259 /nfs/dbraw/zinc/78/62/59/461786259.db2.gz IPUYFTZXHXZMHR-YOEHRIQHSA-N 2 1 341.455 3.082 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@@H+](C)C[C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000639178434 461786263 /nfs/dbraw/zinc/78/62/63/461786263.db2.gz IPUYFTZXHXZMHR-YOEHRIQHSA-N 2 1 341.455 3.082 20 0 EGADMP COc1ccc(C(C)C)cc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000653776986 461851927 /nfs/dbraw/zinc/85/19/27/461851927.db2.gz GUNCLUMQNDXMMT-UHFFFAOYSA-N 2 1 332.488 3.115 20 0 EGADMP COc1ccc(C(C)C)cc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000653776986 461851930 /nfs/dbraw/zinc/85/19/30/461851930.db2.gz GUNCLUMQNDXMMT-UHFFFAOYSA-N 2 1 332.488 3.115 20 0 EGADMP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cc(C)c1OCC(F)(F)F ZINC000647881228 461868349 /nfs/dbraw/zinc/86/83/49/461868349.db2.gz WRPXJYSPQYQCNF-AWEZNQCLSA-N 2 1 330.394 3.286 20 0 EGADMP COCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000647879571 461868373 /nfs/dbraw/zinc/86/83/73/461868373.db2.gz RJQQGJAIRRDAFK-KBPBESRZSA-N 2 1 330.394 3.324 20 0 EGADMP Clc1ccc(O[C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000647891536 461872367 /nfs/dbraw/zinc/87/23/67/461872367.db2.gz NIUZHZYREOAFSB-GXTWGEPZSA-N 2 1 329.271 3.446 20 0 EGADMP COc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)cc1 ZINC000647956134 461906407 /nfs/dbraw/zinc/90/64/07/461906407.db2.gz DWLBGJZOHFSXIG-AZUAARDMSA-N 2 1 334.504 3.313 20 0 EGADMP COc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)cc1 ZINC000647956134 461906413 /nfs/dbraw/zinc/90/64/13/461906413.db2.gz DWLBGJZOHFSXIG-AZUAARDMSA-N 2 1 334.504 3.313 20 0 EGADMP COc1ccc([C@H]2CCCCC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000647956134 461906416 /nfs/dbraw/zinc/90/64/16/461906416.db2.gz DWLBGJZOHFSXIG-AZUAARDMSA-N 2 1 334.504 3.313 20 0 EGADMP COc1ccc([C@H]2CCCCC[NH+]2C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000647956134 461906422 /nfs/dbraw/zinc/90/64/22/461906422.db2.gz DWLBGJZOHFSXIG-AZUAARDMSA-N 2 1 334.504 3.313 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000647961636 461910067 /nfs/dbraw/zinc/91/00/67/461910067.db2.gz VNMHOBAPDVZUDJ-QGZVFWFLSA-N 2 1 337.552 3.076 20 0 EGADMP COc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c(Cl)c1OC ZINC000650718396 461910302 /nfs/dbraw/zinc/91/03/02/461910302.db2.gz KKLCXMVWSPHUNH-UHFFFAOYSA-N 2 1 338.810 3.245 20 0 EGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(Cl)cc1)C2 ZINC000660658653 461910559 /nfs/dbraw/zinc/91/05/59/461910559.db2.gz FZNWSJQFAMBFPS-SFHVURJKSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)Nc1ccc(Cl)cc1)C2 ZINC000660658653 461910567 /nfs/dbraw/zinc/91/05/67/461910567.db2.gz FZNWSJQFAMBFPS-SFHVURJKSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)C2 ZINC000660658653 461910573 /nfs/dbraw/zinc/91/05/73/461910573.db2.gz FZNWSJQFAMBFPS-SFHVURJKSA-N 2 1 335.879 3.086 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718598 461911670 /nfs/dbraw/zinc/91/16/70/461911670.db2.gz RYHNOBYXOVWLNR-UHFFFAOYSA-N 2 1 338.430 3.377 20 0 EGADMP CC(C)Oc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650721986 461913279 /nfs/dbraw/zinc/91/32/79/461913279.db2.gz HYKNLEZOXMTYOE-RLLQIKCJSA-N 2 1 332.488 3.335 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)cc(Cl)c2)C1 ZINC000650722845 461913633 /nfs/dbraw/zinc/91/36/33/461913633.db2.gz CFZLFDCEVASAQU-IKGGRYGDSA-N 2 1 326.843 3.340 20 0 EGADMP CCCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650722270 461913661 /nfs/dbraw/zinc/91/36/61/461913661.db2.gz ONFCHNZSOKTERA-DFQSSKMNSA-N 2 1 332.488 3.336 20 0 EGADMP CC(C)(C)c1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000650722788 461913780 /nfs/dbraw/zinc/91/37/80/461913780.db2.gz BGOYDRAWLVJQQA-NUEKZKHPSA-N 2 1 337.533 3.301 20 0 EGADMP CC(C)(C)c1nc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000650722788 461913785 /nfs/dbraw/zinc/91/37/85/461913785.db2.gz BGOYDRAWLVJQQA-NUEKZKHPSA-N 2 1 337.533 3.301 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1Cl ZINC000650722760 461914528 /nfs/dbraw/zinc/91/45/28/461914528.db2.gz AOLQWCPVMHQNEI-QGPMSJSTSA-N 2 1 338.879 3.209 20 0 EGADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1F ZINC000650723093 461914668 /nfs/dbraw/zinc/91/46/68/461914668.db2.gz HKJCKOKLGUYZBP-WDYCEAGBSA-N 2 1 336.451 3.085 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(Cl)c1 ZINC000650722178 461915070 /nfs/dbraw/zinc/91/50/70/461915070.db2.gz MUNZLJOGQLUINX-ZTFGCOKTSA-N 2 1 338.879 3.209 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000647974981 461916345 /nfs/dbraw/zinc/91/63/45/461916345.db2.gz FBOKLYVKQPTYMK-CVEARBPZSA-N 2 1 349.906 3.299 20 0 EGADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000647974981 461916352 /nfs/dbraw/zinc/91/63/52/461916352.db2.gz FBOKLYVKQPTYMK-CVEARBPZSA-N 2 1 349.906 3.299 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(OC(F)F)c2)C1 ZINC000650723856 461916704 /nfs/dbraw/zinc/91/67/04/461916704.db2.gz VAYBZSGZAVZMEW-PVAVHDDUSA-N 2 1 340.414 3.149 20 0 EGADMP CC1(C)Cc2cccc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)c2O1 ZINC000650723668 461916924 /nfs/dbraw/zinc/91/69/24/461916924.db2.gz ROICSYKFLMOGGI-QRVBRYPASA-N 2 1 344.499 3.261 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1C ZINC000647976499 461918642 /nfs/dbraw/zinc/91/86/42/461918642.db2.gz POCYLLADVSFFJC-GBESFXJTSA-N 2 1 343.515 3.342 20 0 EGADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976180 461919097 /nfs/dbraw/zinc/91/90/97/461919097.db2.gz LGJDQACPZHTQQK-OWCLPIDISA-N 2 1 349.906 3.379 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000667039614 461924218 /nfs/dbraw/zinc/92/42/18/461924218.db2.gz ZUPWQKWSPGWLMK-HOCLYGCPSA-N 2 1 338.455 3.250 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)o1 ZINC000648034462 461951030 /nfs/dbraw/zinc/95/10/30/461951030.db2.gz VCWCYIXFQNPHBP-SJPCQFCGSA-N 2 1 328.460 3.046 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000648034462 461951035 /nfs/dbraw/zinc/95/10/35/461951035.db2.gz VCWCYIXFQNPHBP-SJPCQFCGSA-N 2 1 328.460 3.046 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000648034462 461951041 /nfs/dbraw/zinc/95/10/41/461951041.db2.gz VCWCYIXFQNPHBP-SJPCQFCGSA-N 2 1 328.460 3.046 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CCC(=O)Nc2ccccc2F)c1 ZINC000644527149 461971173 /nfs/dbraw/zinc/97/11/73/461971173.db2.gz PEEADUPPNKQPFW-UHFFFAOYSA-N 2 1 343.446 3.396 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000639903804 462162702 /nfs/dbraw/zinc/16/27/02/462162702.db2.gz RCUSLSOXIIXSSK-OAQYLSRUSA-N 2 1 335.451 3.427 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000639903804 462162708 /nfs/dbraw/zinc/16/27/08/462162708.db2.gz RCUSLSOXIIXSSK-OAQYLSRUSA-N 2 1 335.451 3.427 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000657563440 462181741 /nfs/dbraw/zinc/18/17/41/462181741.db2.gz ODQUCMIKTNAKDI-FQEVSTJZSA-N 2 1 347.522 3.295 20 0 EGADMP CC1([NH+]2CCCC2)CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639983394 462205143 /nfs/dbraw/zinc/20/51/43/462205143.db2.gz GOZHFCBMDZEKOO-HXUWFJFHSA-N 2 1 327.516 3.211 20 0 EGADMP Cc1[nH+]cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1C ZINC000667705746 462224517 /nfs/dbraw/zinc/22/45/17/462224517.db2.gz JXBARSJPKVLLEQ-CTNGQTDRSA-N 2 1 338.499 3.215 20 0 EGADMP Cc1[nH+]cc(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1C ZINC000667705746 462224524 /nfs/dbraw/zinc/22/45/24/462224524.db2.gz JXBARSJPKVLLEQ-CTNGQTDRSA-N 2 1 338.499 3.215 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(C)c1 ZINC000667706803 462224538 /nfs/dbraw/zinc/22/45/38/462224538.db2.gz ITCSEZZERRUEOK-HMXCVIKNSA-N 2 1 346.515 3.467 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648758088 462265079 /nfs/dbraw/zinc/26/50/79/462265079.db2.gz CDTQHBMRUUKDSU-IAGOWNOFSA-N 2 1 334.508 3.167 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648758088 462265084 /nfs/dbraw/zinc/26/50/84/462265084.db2.gz CDTQHBMRUUKDSU-IAGOWNOFSA-N 2 1 334.508 3.167 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[NH+]1CC(C)C1 ZINC000654526447 462267999 /nfs/dbraw/zinc/26/79/99/462267999.db2.gz KYGOEXBEGKNOAU-IRXDYDNUSA-N 2 1 329.488 3.340 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[NH+]1CC(C)C1 ZINC000654526447 462268005 /nfs/dbraw/zinc/26/80/05/462268005.db2.gz KYGOEXBEGKNOAU-IRXDYDNUSA-N 2 1 329.488 3.340 20 0 EGADMP Cc1cc(NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)cn2cc[nH+]c12 ZINC000640159290 462287989 /nfs/dbraw/zinc/28/79/89/462287989.db2.gz WGBDYNPLWDWPQL-UHFFFAOYSA-N 2 1 341.459 3.125 20 0 EGADMP COCCc1ccc(OC[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000667853919 462295447 /nfs/dbraw/zinc/29/54/47/462295447.db2.gz SVMUHJTYIRRYPR-QUCCMNQESA-N 2 1 348.531 3.353 20 0 EGADMP COC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648856782 462307266 /nfs/dbraw/zinc/30/72/66/462307266.db2.gz JDQXCSSFSCRVNZ-IBGZPJMESA-N 2 1 332.488 3.162 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(C(F)F)nc1 ZINC000657889776 462308699 /nfs/dbraw/zinc/30/86/99/462308699.db2.gz ZDQJSPSAQSYGPS-KGLIPLIRSA-N 2 1 339.430 3.171 20 0 EGADMP CC(C)(C[NH+]1CCCC1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648868962 462312036 /nfs/dbraw/zinc/31/20/36/462312036.db2.gz VWCOZEUXVFTVQS-UHFFFAOYSA-N 2 1 345.531 3.125 20 0 EGADMP CC(C)c1nc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c2ccccn21 ZINC000651771587 462331543 /nfs/dbraw/zinc/33/15/43/462331543.db2.gz GEUDFZKOAZHWPS-MRXNPFEDSA-N 2 1 337.471 3.349 20 0 EGADMP CC(C)c1nc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c2ccccn21 ZINC000651771587 462331548 /nfs/dbraw/zinc/33/15/48/462331548.db2.gz GEUDFZKOAZHWPS-MRXNPFEDSA-N 2 1 337.471 3.349 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)c3cccc(C)c3)CC2)CC1 ZINC000654698619 462339835 /nfs/dbraw/zinc/33/98/35/462339835.db2.gz VGIYBHBKOUDKMC-UHFFFAOYSA-N 2 1 343.515 3.154 20 0 EGADMP COc1cc(OC)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000651810332 462344150 /nfs/dbraw/zinc/34/41/50/462344150.db2.gz SXIPTLRWMVOENP-HNNXBMFYSA-N 2 1 336.451 3.007 20 0 EGADMP C[C@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000658091090 462379532 /nfs/dbraw/zinc/37/95/32/462379532.db2.gz KXSPKZHNVCTROC-YSIASYRMSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H](N[C@@H]1CC[NH+](C(C)(C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658091090 462379535 /nfs/dbraw/zinc/37/95/35/462379535.db2.gz KXSPKZHNVCTROC-YSIASYRMSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H](N[C@@H]1CC[NH+](C(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658091090 462379539 /nfs/dbraw/zinc/37/95/39/462379539.db2.gz KXSPKZHNVCTROC-YSIASYRMSA-N 2 1 329.532 3.359 20 0 EGADMP Fc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000665283423 462383552 /nfs/dbraw/zinc/38/35/52/462383552.db2.gz NLLOVEZXTVJQRL-QLFBSQMISA-N 2 1 328.378 3.437 20 0 EGADMP c1ccc([C@H]2C[C@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)CC[NH2+]2)cc1 ZINC000665299445 462390213 /nfs/dbraw/zinc/39/02/13/462390213.db2.gz NDQZAHXDDBJEOX-NHCUHLMSSA-N 3 1 327.516 3.191 20 0 EGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1 ZINC000665294972 462390816 /nfs/dbraw/zinc/39/08/16/462390816.db2.gz ZFECWNUBLHGYGZ-ZCNNSNEGSA-N 2 1 332.488 3.132 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000646105825 462518430 /nfs/dbraw/zinc/51/84/30/462518430.db2.gz JDXBTNKOPNFHGF-IBGZPJMESA-N 2 1 343.515 3.019 20 0 EGADMP CC1(C)OCc2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)ccc2O1 ZINC000187120575 527813499 /nfs/dbraw/zinc/81/34/99/527813499.db2.gz YGXFBEBSPDVDOC-UHFFFAOYSA-N 2 1 330.472 3.296 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000167146024 528844435 /nfs/dbraw/zinc/84/44/35/528844435.db2.gz KZHNHHVNHPWSGC-YQVWRLOYSA-N 2 1 334.504 3.229 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000167146024 528844438 /nfs/dbraw/zinc/84/44/38/528844438.db2.gz KZHNHHVNHPWSGC-YQVWRLOYSA-N 2 1 334.504 3.229 20 0 EGADMP CC(C)N(C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1CCCC1 ZINC000347939575 534938091 /nfs/dbraw/zinc/93/80/91/534938091.db2.gz UFKZERHGPQPZIF-ROUUACIJSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)N(C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CCCC1 ZINC000347939575 534938098 /nfs/dbraw/zinc/93/80/98/534938098.db2.gz UFKZERHGPQPZIF-ROUUACIJSA-N 2 1 349.563 3.409 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)c1ccccc1 ZINC000346629421 535595183 /nfs/dbraw/zinc/59/51/83/535595183.db2.gz VVYHMDHZHHTGFX-ICSRJNTNSA-N 2 1 345.531 3.055 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)CCSc3ccccc3)C2)CC1 ZINC000246760749 535736363 /nfs/dbraw/zinc/73/63/63/535736363.db2.gz YCPWHHAPVYXAEE-RTBURBONSA-N 2 1 347.572 3.269 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000265039643 535944010 /nfs/dbraw/zinc/94/40/10/535944010.db2.gz MVHFYQNHUBLCMX-LBPRGKRZSA-N 2 1 344.286 3.206 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000351419840 536353242 /nfs/dbraw/zinc/35/32/42/536353242.db2.gz RGCSKBCCCNOPIU-UYAOXDASSA-N 2 1 343.515 3.003 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000351419840 536353246 /nfs/dbraw/zinc/35/32/46/536353246.db2.gz RGCSKBCCCNOPIU-UYAOXDASSA-N 2 1 343.515 3.003 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000351419840 536353249 /nfs/dbraw/zinc/35/32/49/536353249.db2.gz RGCSKBCCCNOPIU-UYAOXDASSA-N 2 1 343.515 3.003 20 0 EGADMP Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)s1 ZINC000090400563 546655551 /nfs/dbraw/zinc/65/55/51/546655551.db2.gz FXWCSVCWPOKBSQ-CQSZACIVSA-N 2 1 331.485 3.135 20 0 EGADMP CCO[C@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000155467978 546903060 /nfs/dbraw/zinc/90/30/60/546903060.db2.gz BRFMZBBSICTWDE-FQEVSTJZSA-N 2 1 345.531 3.218 20 0 EGADMP CC[NH+]1CCN(c2ccc(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)c(C)c2)CC1 ZINC000182566445 547081602 /nfs/dbraw/zinc/08/16/02/547081602.db2.gz ABNOPERELKBEIO-QZTJIDSGSA-N 2 1 330.520 3.032 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)CC2 ZINC000280113142 547369866 /nfs/dbraw/zinc/36/98/66/547369866.db2.gz NSOQJXPXBKTCSI-CRAIPNDOSA-N 2 1 332.488 3.401 20 0 EGADMP CCCn1nccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398046560 547836078 /nfs/dbraw/zinc/83/60/78/547836078.db2.gz WAFOTFYVLLVWNY-YLJYHZDGSA-N 2 1 326.488 3.293 20 0 EGADMP CCCn1nccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398046560 547836080 /nfs/dbraw/zinc/83/60/80/547836080.db2.gz WAFOTFYVLLVWNY-YLJYHZDGSA-N 2 1 326.488 3.293 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cc1 ZINC000414305575 547856265 /nfs/dbraw/zinc/85/62/65/547856265.db2.gz RWUZSQSFLOMEPW-JLZZUVOBSA-N 2 1 335.398 3.380 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000673652012 548590542 /nfs/dbraw/zinc/59/05/42/548590542.db2.gz XKKRLAPXQLLFOS-VQTJNVASSA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCC[NH+]2C)c1 ZINC000675481055 548927681 /nfs/dbraw/zinc/92/76/81/548927681.db2.gz MXIPTUJNFZRETA-FQEVSTJZSA-N 2 1 345.531 3.409 20 0 EGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000675481055 548927683 /nfs/dbraw/zinc/92/76/83/548927683.db2.gz MXIPTUJNFZRETA-FQEVSTJZSA-N 2 1 345.531 3.409 20 0 EGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC000675481055 548927686 /nfs/dbraw/zinc/92/76/86/548927686.db2.gz MXIPTUJNFZRETA-FQEVSTJZSA-N 2 1 345.531 3.409 20 0 EGADMP C[C@@H](CC1CCC1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000675832226 548992130 /nfs/dbraw/zinc/99/21/30/548992130.db2.gz JYNUWJXSHRPSPX-OXJNMPFZSA-N 2 1 343.515 3.052 20 0 EGADMP Cc1cc2cc(C[NH+]3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)oc2cc1C ZINC000678258827 549448672 /nfs/dbraw/zinc/44/86/72/549448672.db2.gz PABLPVAFQLJUOH-LJQANCHMSA-N 2 1 341.499 3.261 20 0 EGADMP Cc1cc2cc(C[NH+]3CCN([C@@H]4CCC[N@H+](C)C4)CC3)oc2cc1C ZINC000678258827 549448676 /nfs/dbraw/zinc/44/86/76/549448676.db2.gz PABLPVAFQLJUOH-LJQANCHMSA-N 2 1 341.499 3.261 20 0 EGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000678284289 549458606 /nfs/dbraw/zinc/45/86/06/549458606.db2.gz ABWQLEFLRRVGME-PMACEKPBSA-N 2 1 344.499 3.020 20 0 EGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000678284297 549458964 /nfs/dbraw/zinc/45/89/64/549458964.db2.gz ABWQLEFLRRVGME-WOJBJXKFSA-N 2 1 344.499 3.020 20 0 EGADMP CC(C)c1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000678719033 549547407 /nfs/dbraw/zinc/54/74/07/549547407.db2.gz GKXDJFUMFQXKGI-NRFANRHFSA-N 2 1 329.532 3.410 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1(CC)CC ZINC000678926969 549597444 /nfs/dbraw/zinc/59/74/44/549597444.db2.gz DXVBHRVRCCPXJG-GBESFXJTSA-N 2 1 338.536 3.203 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)[C@@H](C)C2 ZINC000679341882 549692337 /nfs/dbraw/zinc/69/23/37/549692337.db2.gz JXOBGDVCGGADIC-LDQXTDLNSA-N 2 1 328.500 3.461 20 0 EGADMP CCCc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000679750347 549771806 /nfs/dbraw/zinc/77/18/06/549771806.db2.gz BNYYWARJLZYNFA-QFIPXVFZSA-N 2 1 338.495 3.496 20 0 EGADMP c1cc2c(nc[nH+]c2N[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH]1 ZINC000680074691 549816158 /nfs/dbraw/zinc/81/61/58/549816158.db2.gz XJASGBJRMHLZAX-SZMVWBNQSA-N 2 1 333.439 3.280 20 0 EGADMP c1cc2c(nc[nH+]c2N[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH]1 ZINC000680074691 549816159 /nfs/dbraw/zinc/81/61/59/549816159.db2.gz XJASGBJRMHLZAX-SZMVWBNQSA-N 2 1 333.439 3.280 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2ccc(O)cc2)CC1 ZINC000682406580 550095636 /nfs/dbraw/zinc/09/56/36/550095636.db2.gz FYQAOVQIKZRESP-LJQANCHMSA-N 2 1 325.456 3.274 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2ccc(O)cc2)CC1 ZINC000682406580 550095638 /nfs/dbraw/zinc/09/56/38/550095638.db2.gz FYQAOVQIKZRESP-LJQANCHMSA-N 2 1 325.456 3.274 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(O)cc2)CC1 ZINC000682406580 550095641 /nfs/dbraw/zinc/09/56/41/550095641.db2.gz FYQAOVQIKZRESP-LJQANCHMSA-N 2 1 325.456 3.274 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2)CC1 ZINC000682406580 550095642 /nfs/dbraw/zinc/09/56/42/550095642.db2.gz FYQAOVQIKZRESP-LJQANCHMSA-N 2 1 325.456 3.274 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000683342646 550220185 /nfs/dbraw/zinc/22/01/85/550220185.db2.gz WADFRHHXKMCVRV-UHFFFAOYSA-N 2 1 348.293 3.250 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1nccc2ccccc21 ZINC000685455911 550418523 /nfs/dbraw/zinc/41/85/23/550418523.db2.gz AVUVTCZLFNAUMS-IBGZPJMESA-N 2 1 340.515 3.083 20 0 EGADMP CCCN1Cc2cccc(NC(=S)NC[C@H]3CCC[N@H+]3CC)c2C1 ZINC000727291700 574658282 /nfs/dbraw/zinc/65/82/82/574658282.db2.gz UIXAXGLEHXGKBW-MRXNPFEDSA-N 2 1 346.544 3.183 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=S)NC[C@H]3CCC[NH+]3CC)c2C1 ZINC000727291700 574658285 /nfs/dbraw/zinc/65/82/85/574658285.db2.gz UIXAXGLEHXGKBW-MRXNPFEDSA-N 2 1 346.544 3.183 20 0 EGADMP CCC[NH+]1Cc2cccc(NC(=S)NC[C@H]3CCC[N@@H+]3CC)c2C1 ZINC000727291700 574658290 /nfs/dbraw/zinc/65/82/90/574658290.db2.gz UIXAXGLEHXGKBW-MRXNPFEDSA-N 2 1 346.544 3.183 20 0 EGADMP CCC[NH+]1Cc2cccc(NC(=S)NC[C@H]3CCC[N@H+]3CC)c2C1 ZINC000727291700 574658293 /nfs/dbraw/zinc/65/82/93/574658293.db2.gz UIXAXGLEHXGKBW-MRXNPFEDSA-N 2 1 346.544 3.183 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC000729333552 574843330 /nfs/dbraw/zinc/84/33/30/574843330.db2.gz BSCMOBKEGGVQJQ-AZUAARDMSA-N 2 1 343.515 3.204 20 0 EGADMP Brc1cccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)o2)c1 ZINC000678342788 576167186 /nfs/dbraw/zinc/16/71/86/576167186.db2.gz IDDAGMRAGBEZMC-OKILXGFUSA-N 2 1 347.256 3.360 20 0 EGADMP Brc1cccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)o2)c1 ZINC000678342788 576167187 /nfs/dbraw/zinc/16/71/87/576167187.db2.gz IDDAGMRAGBEZMC-OKILXGFUSA-N 2 1 347.256 3.360 20 0 EGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000383335804 576254130 /nfs/dbraw/zinc/25/41/30/576254130.db2.gz IOXBLZYHQGNBNB-VQIMIIECSA-N 2 1 326.488 3.291 20 0 EGADMP C[C@H](N[C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000693713386 1298150437 /nfs/dbraw/zinc/15/04/37/1298150437.db2.gz OBDBXGJOXBSQEA-OUJGAGHGSA-N 2 1 341.543 3.263 20 0 EGADMP C[C@H]([NH2+][C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000693713386 1298150446 /nfs/dbraw/zinc/15/04/46/1298150446.db2.gz OBDBXGJOXBSQEA-OUJGAGHGSA-N 3 1 341.543 3.263 20 0 EGADMP C[C@H]([NH2+][C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000693713386 1298150454 /nfs/dbraw/zinc/15/04/54/1298150454.db2.gz OBDBXGJOXBSQEA-OUJGAGHGSA-N 3 1 341.543 3.263 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000063917647 1292030837 /nfs/dbraw/zinc/03/08/37/1292030837.db2.gz YNVGUSZNPYKPHA-AWEZNQCLSA-N 2 1 328.403 3.118 20 0 EGADMP CCc1ccc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000066593736 1292124478 /nfs/dbraw/zinc/12/44/78/1292124478.db2.gz WYJBNJOPBYVGIC-HXUWFJFHSA-N 2 1 343.540 3.389 20 0 EGADMP CC(C)(C)n1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000103173764 1292996967 /nfs/dbraw/zinc/99/69/67/1292996967.db2.gz DVOTVALDSFYSCI-IBGZPJMESA-N 2 1 340.515 3.292 20 0 EGADMP CC(C)(C)n1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000103173764 1292996976 /nfs/dbraw/zinc/99/69/76/1292996976.db2.gz DVOTVALDSFYSCI-IBGZPJMESA-N 2 1 340.515 3.292 20 0 EGADMP COc1cc2c(c(C[NH2+]C[C@@H]3CCC[N@@H+](C(C)C)C3)c1)O[C@@H](C)C2 ZINC000105456116 1293036236 /nfs/dbraw/zinc/03/62/36/1293036236.db2.gz SMVIOEZWKLCBNX-HOTGVXAUSA-N 2 1 332.488 3.229 20 0 EGADMP COc1cc2c(c(C[NH2+]C[C@@H]3CCC[N@H+](C(C)C)C3)c1)O[C@@H](C)C2 ZINC000105456116 1293036245 /nfs/dbraw/zinc/03/62/45/1293036245.db2.gz SMVIOEZWKLCBNX-HOTGVXAUSA-N 2 1 332.488 3.229 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(NC(C)=O)cc2)c1 ZINC000105449487 1293036667 /nfs/dbraw/zinc/03/66/67/1293036667.db2.gz YNKHFVDWZIBIDL-UHFFFAOYSA-N 2 1 325.456 3.387 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)C2CCC([NH3+])CC2)cc1 ZINC000832832507 1293049593 /nfs/dbraw/zinc/04/95/93/1293049593.db2.gz FCSAADYQZFNJQM-UHFFFAOYSA-N 2 1 331.504 3.260 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000108428029 1293080262 /nfs/dbraw/zinc/08/02/62/1293080262.db2.gz RDRWEEXHMLXRFH-SFHVURJKSA-N 2 1 334.467 3.457 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)c1ccco1 ZINC000834501520 1293106948 /nfs/dbraw/zinc/10/69/48/1293106948.db2.gz BVCYPRBGUJZBKC-ZGXWSNOMSA-N 2 1 340.467 3.346 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(OC)ccc2OC(F)F)C1 ZINC000112709885 1293132266 /nfs/dbraw/zinc/13/22/66/1293132266.db2.gz VKGSPDNZVJXGEB-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(OC)ccc2OC(F)F)C1 ZINC000112709885 1293132267 /nfs/dbraw/zinc/13/22/67/1293132267.db2.gz VKGSPDNZVJXGEB-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CCN(CN2CC(C)(C)OC2=O)CC1 ZINC000124116665 1293466951 /nfs/dbraw/zinc/46/69/51/1293466951.db2.gz AQYVQHOXOYCCBN-UHFFFAOYSA-N 2 1 345.487 3.019 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CN2CC(C)(C)OC2=O)CC1 ZINC000124116665 1293466953 /nfs/dbraw/zinc/46/69/53/1293466953.db2.gz AQYVQHOXOYCCBN-UHFFFAOYSA-N 2 1 345.487 3.019 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CN2CC(C)(C)OC2=O)CC1 ZINC000124116665 1293466957 /nfs/dbraw/zinc/46/69/57/1293466957.db2.gz AQYVQHOXOYCCBN-UHFFFAOYSA-N 2 1 345.487 3.019 20 0 EGADMP CNC(=O)c1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000126679481 1293541284 /nfs/dbraw/zinc/54/12/84/1293541284.db2.gz VGHMSRXLLSMHMO-UHFFFAOYSA-N 2 1 343.515 3.181 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000131450091 1293690312 /nfs/dbraw/zinc/69/03/12/1293690312.db2.gz CAISNSOSJKJSKS-CVEARBPZSA-N 2 1 348.491 3.073 20 0 EGADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccn2c[nH+]cc2c1 ZINC000133315565 1293741374 /nfs/dbraw/zinc/74/13/74/1293741374.db2.gz FJHRBXIOXJZOQI-IBGZPJMESA-N 2 1 348.450 3.119 20 0 EGADMP O[C@@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134889064 1293784168 /nfs/dbraw/zinc/78/41/68/1293784168.db2.gz JBFZYZFZVJUQSA-LZQZEXGQSA-N 2 1 334.891 3.322 20 0 EGADMP O[C@@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134889064 1293784173 /nfs/dbraw/zinc/78/41/73/1293784173.db2.gz JBFZYZFZVJUQSA-LZQZEXGQSA-N 2 1 334.891 3.322 20 0 EGADMP O[C@@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134889064 1293784176 /nfs/dbraw/zinc/78/41/76/1293784176.db2.gz JBFZYZFZVJUQSA-LZQZEXGQSA-N 2 1 334.891 3.322 20 0 EGADMP Cc1csc(N2CCC([NH2+][C@@H]3CC[N@H+](CC4CCCC4)C3)CC2)n1 ZINC000151127384 1293908812 /nfs/dbraw/zinc/90/88/12/1293908812.db2.gz SGNOMWMPOULNRU-GOSISDBHSA-N 2 1 348.560 3.274 20 0 EGADMP Cc1csc(N2CCC([NH2+][C@@H]3CC[N@@H+](CC4CCCC4)C3)CC2)n1 ZINC000151127384 1293908819 /nfs/dbraw/zinc/90/88/19/1293908819.db2.gz SGNOMWMPOULNRU-GOSISDBHSA-N 2 1 348.560 3.274 20 0 EGADMP CC[C@H](C[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)[NH+]1CCCC1 ZINC000151696639 1293934761 /nfs/dbraw/zinc/93/47/61/1293934761.db2.gz ANWWSCFUJNLUSZ-LJQANCHMSA-N 2 1 344.547 3.185 20 0 EGADMP CCn1cc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000153560698 1294018905 /nfs/dbraw/zinc/01/89/05/1294018905.db2.gz OGQCOFSIKZJOLP-IAGOWNOFSA-N 2 1 326.488 3.149 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc2cnccn12 ZINC000156614232 1294151561 /nfs/dbraw/zinc/15/15/61/1294151561.db2.gz FFCMRBMZEZWHMB-KRWDZBQOSA-N 2 1 349.482 3.394 20 0 EGADMP CC(C)c1nccn1Cc1cccc(NC(=O)C2(N(C)C)CCC2)c1 ZINC000158756556 1294213555 /nfs/dbraw/zinc/21/35/55/1294213555.db2.gz STACJZXWXVTWGU-UHFFFAOYSA-N 2 1 340.471 3.478 20 0 EGADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cn1cccnc1=S ZINC000179915915 1294840759 /nfs/dbraw/zinc/84/07/59/1294840759.db2.gz JJZIXTAQDWBCMW-UHFFFAOYSA-N 2 1 343.500 3.204 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cn1cccnc1=S ZINC000179915915 1294840770 /nfs/dbraw/zinc/84/07/70/1294840770.db2.gz JJZIXTAQDWBCMW-UHFFFAOYSA-N 2 1 343.500 3.204 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc(F)nc1 ZINC000189147052 1295503796 /nfs/dbraw/zinc/50/37/96/1295503796.db2.gz OBJNZJMOCBSJPB-HOTGVXAUSA-N 2 1 327.447 3.467 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC[NH2+]CC2CC2)cc1 ZINC000870866036 1296121645 /nfs/dbraw/zinc/12/16/45/1296121645.db2.gz KAJBQIGJJDRDSG-KRWDZBQOSA-N 2 1 343.515 3.067 20 0 EGADMP CC(C)[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000870957243 1296154796 /nfs/dbraw/zinc/15/47/96/1296154796.db2.gz BPQFBYFFSIIYEU-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000236645459 1296193426 /nfs/dbraw/zinc/19/34/26/1296193426.db2.gz DURKHFLMJCKEQO-UHFFFAOYSA-N 2 1 338.879 3.464 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC(=O)NC1CCCCC1 ZINC000237129494 1296221726 /nfs/dbraw/zinc/22/17/26/1296221726.db2.gz MOAJYUQRPDPPSN-UHFFFAOYSA-N 2 1 345.531 3.183 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC(=O)NC1CCCCC1 ZINC000237129494 1296221733 /nfs/dbraw/zinc/22/17/33/1296221733.db2.gz MOAJYUQRPDPPSN-UHFFFAOYSA-N 2 1 345.531 3.183 20 0 EGADMP CC[NH+](CC)[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)c1ccccc1 ZINC000871795526 1296537787 /nfs/dbraw/zinc/53/77/87/1296537787.db2.gz UDUTWIBSYYVBLP-HQSKLWIPSA-N 2 1 340.471 3.499 20 0 EGADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1C[NH3+] ZINC000262508622 1296637581 /nfs/dbraw/zinc/63/75/81/1296637581.db2.gz MTQPOQYPUXUQBW-NWDGAFQWSA-N 2 1 344.286 3.239 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH2+]CCc1c[nH+]cn1C)CCCC2 ZINC000872063697 1296710971 /nfs/dbraw/zinc/71/09/71/1296710971.db2.gz SBLKHIBCSVQLOA-QGZVFWFLSA-N 2 1 329.444 3.037 20 0 EGADMP CC1(C)CCc2onc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)c2C1 ZINC000872145623 1296767569 /nfs/dbraw/zinc/76/75/69/1296767569.db2.gz VGCKDMGAEHRKIZ-YJLNNSPDSA-N 2 1 347.503 3.050 20 0 EGADMP CC1(C)CCc2onc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)c2C1 ZINC000872145623 1296767582 /nfs/dbraw/zinc/76/75/82/1296767582.db2.gz VGCKDMGAEHRKIZ-YJLNNSPDSA-N 2 1 347.503 3.050 20 0 EGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](CC(=O)N2CCCCCC2)C1)C1CCCC1 ZINC000872156596 1296776846 /nfs/dbraw/zinc/77/68/46/1296776846.db2.gz ACOUJQNKHBYYDX-HKUYNNGSSA-N 2 1 335.536 3.009 20 0 EGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CCCC1 ZINC000305462853 1297013482 /nfs/dbraw/zinc/01/34/82/1297013482.db2.gz NLYWOMNKFHIKTK-HZPDHXFCSA-N 2 1 339.524 3.286 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000305768491 1297046730 /nfs/dbraw/zinc/04/67/30/1297046730.db2.gz KUWBPPBHHZTTQM-UHOFOFEASA-N 2 1 330.394 3.059 20 0 EGADMP [NH2+]=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)NC1CCCC1 ZINC000310426215 1297094744 /nfs/dbraw/zinc/09/47/44/1297094744.db2.gz RRVBBKRSFQRGJR-GOSISDBHSA-N 2 1 328.504 3.345 20 0 EGADMP C[C@]1(C[NH2+]C[C@H](O)c2ccccc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000310925306 1297104335 /nfs/dbraw/zinc/10/43/35/1297104335.db2.gz RZPBVPNXXJZSMN-LEWJYISDSA-N 2 1 342.458 3.361 20 0 EGADMP CC(C)(C)OC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000393925762 1297673517 /nfs/dbraw/zinc/67/35/17/1297673517.db2.gz BIYKDTKSRAATLT-BACDZXNISA-N 2 1 337.508 3.039 20 0 EGADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000404544808 1297754852 /nfs/dbraw/zinc/75/48/52/1297754852.db2.gz SNFJJIPZKSAEEF-SJORKVTESA-N 2 1 349.519 3.039 20 0 EGADMP CSc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000442782716 1297855000 /nfs/dbraw/zinc/85/50/00/1297855000.db2.gz RSIOLKVJENJAGN-HNNXBMFYSA-N 2 1 349.544 3.002 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1[nH]nc2ccccc21 ZINC000708557545 1298243916 /nfs/dbraw/zinc/24/39/16/1298243916.db2.gz XPBDORMWLGOKDM-AEFFLSMTSA-N 2 1 334.467 3.421 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC000876941560 1299076906 /nfs/dbraw/zinc/07/69/06/1299076906.db2.gz NSRRNDFBAGWMKH-IELZWVCUSA-N 2 1 347.547 3.045 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]CCOc3cccnc3)CC[N@@H+]2C2CC2)cc1 ZINC000877038628 1299126626 /nfs/dbraw/zinc/12/66/26/1299126626.db2.gz URLXELFUMOQASF-NQIIRXRSSA-N 2 1 337.467 3.418 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]CCOc3cccnc3)CC[N@H+]2C2CC2)cc1 ZINC000877038628 1299126632 /nfs/dbraw/zinc/12/66/32/1299126632.db2.gz URLXELFUMOQASF-NQIIRXRSSA-N 2 1 337.467 3.418 20 0 EGADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877154477 1299185284 /nfs/dbraw/zinc/18/52/84/1299185284.db2.gz RCAHQSQCYGPSOX-YFVAEKQCSA-N 2 1 327.516 3.428 20 0 EGADMP C[C@@H]1CCC[NH+]1CCN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877154477 1299185286 /nfs/dbraw/zinc/18/52/86/1299185286.db2.gz RCAHQSQCYGPSOX-YFVAEKQCSA-N 2 1 327.516 3.428 20 0 EGADMP C[C@@H]1CCC[NH+]1CCN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877154477 1299185290 /nfs/dbraw/zinc/18/52/90/1299185290.db2.gz RCAHQSQCYGPSOX-YFVAEKQCSA-N 2 1 327.516 3.428 20 0 EGADMP CC1(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)OCCO1 ZINC000877345736 1299253633 /nfs/dbraw/zinc/25/36/33/1299253633.db2.gz AWGVIIZLWHSFKZ-MJGOQNOKSA-N 2 1 330.472 3.097 20 0 EGADMP CC1(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)OCCO1 ZINC000877345736 1299253640 /nfs/dbraw/zinc/25/36/40/1299253640.db2.gz AWGVIIZLWHSFKZ-MJGOQNOKSA-N 2 1 330.472 3.097 20 0 EGADMP C[C@H](CCOCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000877479183 1299329594 /nfs/dbraw/zinc/32/95/94/1299329594.db2.gz UGTXMHRAXOUABY-RTBURBONSA-N 2 1 334.504 3.072 20 0 EGADMP C[C@H](CCOCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000877479183 1299329604 /nfs/dbraw/zinc/32/96/04/1299329604.db2.gz UGTXMHRAXOUABY-RTBURBONSA-N 2 1 334.504 3.072 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000877524641 1299368116 /nfs/dbraw/zinc/36/81/16/1299368116.db2.gz AAGWROYKLYFXRA-MRXNPFEDSA-N 2 1 339.524 3.001 20 0 EGADMP C[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)[C@H]1CCCO1 ZINC000753724971 1300010490 /nfs/dbraw/zinc/01/04/90/1300010490.db2.gz LZUXXCSYENNWKW-OXJNMPFZSA-N 2 1 331.504 3.444 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000756100214 1300438225 /nfs/dbraw/zinc/43/82/25/1300438225.db2.gz KLHGKBPZXNAXML-UHFFFAOYSA-N 2 1 336.480 3.106 20 0 EGADMP C[N@H+]1CC[C@H]2CN(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@@H]21 ZINC000879568887 1300606128 /nfs/dbraw/zinc/60/61/28/1300606128.db2.gz FICZXNNFGCNVES-FPOVZHCZSA-N 2 1 349.478 3.465 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@@H]21 ZINC000879568887 1300606136 /nfs/dbraw/zinc/60/61/36/1300606136.db2.gz FICZXNNFGCNVES-FPOVZHCZSA-N 2 1 349.478 3.465 20 0 EGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@@H]21 ZINC000879568887 1300606143 /nfs/dbraw/zinc/60/61/43/1300606143.db2.gz FICZXNNFGCNVES-FPOVZHCZSA-N 2 1 349.478 3.465 20 0 EGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@@H]21 ZINC000879568887 1300606145 /nfs/dbraw/zinc/60/61/45/1300606145.db2.gz FICZXNNFGCNVES-FPOVZHCZSA-N 2 1 349.478 3.465 20 0 EGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@@H]21 ZINC000879568887 1300606154 /nfs/dbraw/zinc/60/61/54/1300606154.db2.gz FICZXNNFGCNVES-FPOVZHCZSA-N 2 1 349.478 3.465 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](c2ccccc2)C2CCOCC2)CCCO1 ZINC000762646600 1301720788 /nfs/dbraw/zinc/72/07/88/1301720788.db2.gz AMUDCMIRQGHVSP-NQIIRXRSSA-N 2 1 346.515 3.245 20 0 EGADMP CCCOC(=O)[C@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762926798 1301785889 /nfs/dbraw/zinc/78/58/89/1301785889.db2.gz NYRUDLMZQDJELT-SFHVURJKSA-N 2 1 344.499 3.316 20 0 EGADMP CCCOC(=O)[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762926798 1301785894 /nfs/dbraw/zinc/78/58/94/1301785894.db2.gz NYRUDLMZQDJELT-SFHVURJKSA-N 2 1 344.499 3.316 20 0 EGADMP O=c1oc2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc2o1 ZINC000883028101 1302211216 /nfs/dbraw/zinc/21/12/16/1302211216.db2.gz ZZRLOTZCMRHLFF-UHFFFAOYSA-N 2 1 330.428 3.273 20 0 EGADMP C[C@@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000765256039 1302230639 /nfs/dbraw/zinc/23/06/39/1302230639.db2.gz RSGFHMSJWYRQNM-ROUUACIJSA-N 2 1 333.520 3.152 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H]2CC3(CCOCC3)Oc3ccccc32)CC1 ZINC000883384664 1302424301 /nfs/dbraw/zinc/42/43/01/1302424301.db2.gz WNEQMPKFYAWCII-GOSISDBHSA-N 2 1 330.472 3.133 20 0 EGADMP CC(C)[C@H](CC[N@@H+](C)CC[C@@H]1CCC[NH+]1C)NC(=O)OC(C)(C)C ZINC000767413290 1302666379 /nfs/dbraw/zinc/66/63/79/1302666379.db2.gz ASIFTDUIYQPGNR-IRXDYDNUSA-N 2 1 341.540 3.342 20 0 EGADMP CC(C)[C@H](CC[NH+](C)CC[C@@H]1CCC[N@@H+]1C)NC(=O)OC(C)(C)C ZINC000767413290 1302666392 /nfs/dbraw/zinc/66/63/92/1302666392.db2.gz ASIFTDUIYQPGNR-IRXDYDNUSA-N 2 1 341.540 3.342 20 0 EGADMP CC(C)[C@H](CC[NH+](C)CC[C@@H]1CCC[N@H+]1C)NC(=O)OC(C)(C)C ZINC000767413290 1302666399 /nfs/dbraw/zinc/66/63/99/1302666399.db2.gz ASIFTDUIYQPGNR-IRXDYDNUSA-N 2 1 341.540 3.342 20 0 EGADMP Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1C ZINC000768181027 1302846765 /nfs/dbraw/zinc/84/67/65/1302846765.db2.gz SKESMLJKQOUERN-UHFFFAOYSA-N 2 1 339.483 3.436 20 0 EGADMP Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1C ZINC000768181027 1302846777 /nfs/dbraw/zinc/84/67/77/1302846777.db2.gz SKESMLJKQOUERN-UHFFFAOYSA-N 2 1 339.483 3.436 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000885975296 1303305032 /nfs/dbraw/zinc/30/50/32/1303305032.db2.gz PKRCFUJUISPTGE-GOSISDBHSA-N 2 1 326.488 3.229 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000885975296 1303305041 /nfs/dbraw/zinc/30/50/41/1303305041.db2.gz PKRCFUJUISPTGE-GOSISDBHSA-N 2 1 326.488 3.229 20 0 EGADMP Cc1cnc(C[NH+](C)[C@H]2CC[C@H]([N@@H+](C)Cc3ncc(C)o3)CC2)o1 ZINC000886387004 1303454284 /nfs/dbraw/zinc/45/42/84/1303454284.db2.gz OMNWAWXEDOBKCD-WKILWMFISA-N 2 1 332.448 3.154 20 0 EGADMP COc1c(C)cnc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c1C ZINC000886666551 1303546940 /nfs/dbraw/zinc/54/69/40/1303546940.db2.gz VDRXUEPXYIAYBL-UHFFFAOYSA-N 2 1 328.460 3.427 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)NC3CCCCC3)CC2)[nH+]c1C ZINC000886670942 1303550578 /nfs/dbraw/zinc/55/05/78/1303550578.db2.gz ZDHZWDBQDPBKKI-OAHLLOKOSA-N 2 1 332.492 3.043 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1CC(Nc1ccc(N3CC[NH+](C)CC3)c(Cl)c1)C2 ZINC000774329936 1303798594 /nfs/dbraw/zinc/79/85/94/1303798594.db2.gz LBYQMWXMSYJGRI-ALOPSCKCSA-N 2 1 348.922 3.129 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(Nc1ccc(N3CC[NH+](C)CC3)c(Cl)c1)C2 ZINC000774329936 1303798598 /nfs/dbraw/zinc/79/85/98/1303798598.db2.gz LBYQMWXMSYJGRI-ALOPSCKCSA-N 2 1 348.922 3.129 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000775375994 1303948768 /nfs/dbraw/zinc/94/87/68/1303948768.db2.gz QYQWGPPSPOWLGC-ALYAQQCSSA-N 2 1 328.591 3.324 20 0 EGADMP Cc1ncc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000775522537 1303978764 /nfs/dbraw/zinc/97/87/64/1303978764.db2.gz STGBBZCDJWRBID-MAUKXSAKSA-N 2 1 329.513 3.494 20 0 EGADMP CO[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(F)(F)F ZINC000777007567 1304231603 /nfs/dbraw/zinc/23/16/03/1304231603.db2.gz NNLJTQCWRGGEAW-IAQYHMDHSA-N 2 1 327.350 3.409 20 0 EGADMP CC[NH+](CC)CCOc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000777656802 1304331177 /nfs/dbraw/zinc/33/11/77/1304331177.db2.gz LHKKGAZLGDHFCO-SJLPKXTDSA-N 2 1 349.519 3.310 20 0 EGADMP C[C@@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CC[N@H+]1C ZINC000777675982 1304333842 /nfs/dbraw/zinc/33/38/42/1304333842.db2.gz RIWRTEOZBXQORA-WBVHZDCISA-N 2 1 348.510 3.251 20 0 EGADMP CC/C(C)=C(/C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000780960707 1304755586 /nfs/dbraw/zinc/75/55/86/1304755586.db2.gz NXYXYHFMPVJOSE-ZCXUNETKSA-N 2 1 349.563 3.388 20 0 EGADMP COCCOC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000892570065 1305445903 /nfs/dbraw/zinc/44/59/03/1305445903.db2.gz HJFNJEORFXDQFJ-ROUUACIJSA-N 2 1 334.504 3.202 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](O)c1c(F)cccc1Cl ZINC000893087948 1305699617 /nfs/dbraw/zinc/69/96/17/1305699617.db2.gz HODBORHHZSPZQA-UPVYCQEFSA-N 2 1 326.843 3.116 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](O)c1c(F)cccc1Cl ZINC000893087948 1305699629 /nfs/dbraw/zinc/69/96/29/1305699629.db2.gz HODBORHHZSPZQA-UPVYCQEFSA-N 2 1 326.843 3.116 20 0 EGADMP CCn1cc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC000893102621 1305707769 /nfs/dbraw/zinc/70/77/69/1305707769.db2.gz AOZGNKCPLMTJBY-LFUKPOHLSA-N 2 1 340.515 3.458 20 0 EGADMP CCn1cc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC000893102621 1305707775 /nfs/dbraw/zinc/70/77/75/1305707775.db2.gz AOZGNKCPLMTJBY-LFUKPOHLSA-N 2 1 340.515 3.458 20 0 EGADMP CCCSC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000893487858 1305921498 /nfs/dbraw/zinc/92/14/98/1305921498.db2.gz QCOPRRDMKAVNCF-APWZRJJASA-N 2 1 336.545 3.265 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N2CCCCC2=O)cc1 ZINC000894557598 1308952226 /nfs/dbraw/zinc/95/22/26/1308952226.db2.gz GSYSSHFHEYKYGJ-XIHRNRATSA-N 2 1 341.499 3.479 20 0 EGADMP O=C(OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c[nH+]cn2c1 ZINC000793150569 1309304155 /nfs/dbraw/zinc/30/41/55/1309304155.db2.gz YHSRHXJDZLOFNI-GOSISDBHSA-N 2 1 349.434 3.403 20 0 EGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793527538 1309394553 /nfs/dbraw/zinc/39/45/53/1309394553.db2.gz NQPNHBJBGPLTKA-PKOBYXMFSA-N 2 1 326.488 3.291 20 0 EGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793527538 1309394560 /nfs/dbraw/zinc/39/45/60/1309394560.db2.gz NQPNHBJBGPLTKA-PKOBYXMFSA-N 2 1 326.488 3.291 20 0 EGADMP Cc1cc([C@H](C)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793565359 1309405078 /nfs/dbraw/zinc/40/50/78/1309405078.db2.gz KBJDWMZYYDAVOY-PXNSSMCTSA-N 2 1 326.488 3.291 20 0 EGADMP Cc1cc([C@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793565359 1309405091 /nfs/dbraw/zinc/40/50/91/1309405091.db2.gz KBJDWMZYYDAVOY-PXNSSMCTSA-N 2 1 326.488 3.291 20 0 EGADMP c1c[nH]c([C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)c2cccnc2)n1 ZINC000794812255 1309600545 /nfs/dbraw/zinc/60/05/45/1309600545.db2.gz VOFMLXWTFRKPTJ-CTWPCTMYSA-N 2 1 339.487 3.281 20 0 EGADMP CC(C)[C@@H](C[NH2+]CC1CCC2(CC1)OCCO2)[NH+]1CCC(C)CC1 ZINC000795900899 1309857110 /nfs/dbraw/zinc/85/71/10/1309857110.db2.gz YWYYJSHKPSZGFT-LJQANCHMSA-N 2 1 338.536 3.266 20 0 EGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000796653642 1310057811 /nfs/dbraw/zinc/05/78/11/1310057811.db2.gz PFCUWGKYHQYQPF-NCOADZHNSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000796653650 1310058591 /nfs/dbraw/zinc/05/85/91/1310058591.db2.gz PFCUWGKYHQYQPF-WCXIOVBPSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177003 1310499817 /nfs/dbraw/zinc/49/98/17/1310499817.db2.gz GWHOQOAFIIDVKM-HNNXBMFYSA-N 2 1 349.906 3.475 20 0 EGADMP Cc1cccc(C)c1NC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178656 1310500635 /nfs/dbraw/zinc/50/06/35/1310500635.db2.gz AURKCVBLDLEZKY-UHFFFAOYSA-N 2 1 329.488 3.050 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000799741506 1310611190 /nfs/dbraw/zinc/61/11/90/1310611190.db2.gz RCCABQLHRWMPSU-UHFFFAOYSA-N 2 1 346.519 3.134 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000839183091 1320889102 /nfs/dbraw/zinc/88/91/02/1320889102.db2.gz SXEJUSDEDFJKGR-BZUAXINKSA-N 2 1 346.462 3.065 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000839183090 1320889148 /nfs/dbraw/zinc/88/91/48/1320889148.db2.gz SXEJUSDEDFJKGR-ARFHVFGLSA-N 2 1 346.462 3.065 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000929399652 1328588061 /nfs/dbraw/zinc/58/80/61/1328588061.db2.gz RKPWFXWOKVRQNF-KRWDZBQOSA-N 2 1 347.503 3.260 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000857783023 1328596550 /nfs/dbraw/zinc/59/65/50/1328596550.db2.gz PLZLMFJBICXXQK-UHFFFAOYSA-N 2 1 339.414 3.471 20 0 EGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001018967472 1316988023 /nfs/dbraw/zinc/98/80/23/1316988023.db2.gz DYQQGWIYXMHGJW-AZUAARDMSA-N 2 1 345.531 3.084 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001018991086 1316995844 /nfs/dbraw/zinc/99/58/44/1316995844.db2.gz XOKGBXOOCCIEHP-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@H](C)CC)C1 ZINC000957113863 1317194821 /nfs/dbraw/zinc/19/48/21/1317194821.db2.gz ULCUVSAQCDJJJJ-MJGOQNOKSA-N 2 1 337.552 3.220 20 0 EGADMP CCOCCOCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000929772826 1328695685 /nfs/dbraw/zinc/69/56/85/1328695685.db2.gz NYNOCLXNMJBXJE-OAQYLSRUSA-N 2 1 346.515 3.028 20 0 EGADMP CCOCCOCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000929772826 1328695691 /nfs/dbraw/zinc/69/56/91/1328695691.db2.gz NYNOCLXNMJBXJE-OAQYLSRUSA-N 2 1 346.515 3.028 20 0 EGADMP CCOCCOCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000929772826 1328695697 /nfs/dbraw/zinc/69/56/97/1328695697.db2.gz NYNOCLXNMJBXJE-OAQYLSRUSA-N 2 1 346.515 3.028 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000805764082 1317421117 /nfs/dbraw/zinc/42/11/17/1317421117.db2.gz VJZSGHGVZFMYAF-SJORKVTESA-N 2 1 339.524 3.240 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000805764082 1317421122 /nfs/dbraw/zinc/42/11/22/1317421122.db2.gz VJZSGHGVZFMYAF-SJORKVTESA-N 2 1 339.524 3.240 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000805764082 1317421127 /nfs/dbraw/zinc/42/11/27/1317421127.db2.gz VJZSGHGVZFMYAF-SJORKVTESA-N 2 1 339.524 3.240 20 0 EGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000805772929 1317423409 /nfs/dbraw/zinc/42/34/09/1317423409.db2.gz PTIDGZZHGUUQIC-HOCLYGCPSA-N 2 1 344.421 3.025 20 0 EGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000805772929 1317423414 /nfs/dbraw/zinc/42/34/14/1317423414.db2.gz PTIDGZZHGUUQIC-HOCLYGCPSA-N 2 1 344.421 3.025 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000806172737 1317468983 /nfs/dbraw/zinc/46/89/83/1317468983.db2.gz SMQJJUBTHIEGDT-UHOFOFEASA-N 2 1 330.394 3.059 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000806172738 1317469111 /nfs/dbraw/zinc/46/91/11/1317469111.db2.gz SMQJJUBTHIEGDT-VBNZEHGJSA-N 2 1 330.394 3.059 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000957593227 1317484261 /nfs/dbraw/zinc/48/42/61/1317484261.db2.gz ORIUQZAUILECKK-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001020029176 1317507973 /nfs/dbraw/zinc/50/79/73/1317507973.db2.gz XARNKPGMIKZGGV-KNTRFNDTSA-N 2 1 343.515 3.202 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)CC1 ZINC000957647949 1317520040 /nfs/dbraw/zinc/52/00/40/1317520040.db2.gz XRZSHVPYDMZFSC-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001020151015 1317565050 /nfs/dbraw/zinc/56/50/50/1317565050.db2.gz HSKFJPXMEQBNMV-UAFMIMERSA-N 2 1 347.547 3.068 20 0 EGADMP C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000902439934 1317578708 /nfs/dbraw/zinc/57/87/08/1317578708.db2.gz VIUXBZNUTAUCLX-DGEVVOEJSA-N 2 1 335.495 3.111 20 0 EGADMP C[C@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000902439937 1317578899 /nfs/dbraw/zinc/57/88/99/1317578899.db2.gz VIUXBZNUTAUCLX-ZHODDXKCSA-N 2 1 335.495 3.111 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CCCCC[NH2+]2)C3)cc1 ZINC000902482749 1317582523 /nfs/dbraw/zinc/58/25/23/1317582523.db2.gz NKAYWTYCEUSEIE-BURNTYAHSA-N 2 1 327.516 3.304 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1)C(C)C ZINC000957728736 1317594372 /nfs/dbraw/zinc/59/43/72/1317594372.db2.gz WKAKGAIWZRQHOH-LJQANCHMSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1)C(C)C ZINC000957728736 1317594377 /nfs/dbraw/zinc/59/43/77/1317594377.db2.gz WKAKGAIWZRQHOH-LJQANCHMSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](CC1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1)C(C)C ZINC000957728736 1317594383 /nfs/dbraw/zinc/59/43/83/1317594383.db2.gz WKAKGAIWZRQHOH-LJQANCHMSA-N 2 1 337.552 3.076 20 0 EGADMP CC[N@@H+](CC1CCC1)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000957737725 1317601834 /nfs/dbraw/zinc/60/18/34/1317601834.db2.gz WRGAVXMGBKCQIT-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP COC(=O)c1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(C)c1 ZINC000902775764 1317615556 /nfs/dbraw/zinc/61/55/56/1317615556.db2.gz AYLKRXQJRNPKFF-HNNXBMFYSA-N 2 1 330.472 3.449 20 0 EGADMP CC[N@@H+](CC1CC1)CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000957770510 1317634341 /nfs/dbraw/zinc/63/43/41/1317634341.db2.gz QLHBYLMEFGQGLB-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)OC(=O)NC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CC1 ZINC000903099455 1317653712 /nfs/dbraw/zinc/65/37/12/1317653712.db2.gz IDOLQPOVZLKVMP-NXCDMZCRSA-N 2 1 349.519 3.037 20 0 EGADMP c1cc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CC2)cc2c1OCO2 ZINC000903139530 1317661278 /nfs/dbraw/zinc/66/12/78/1317661278.db2.gz MQGGESOPLCRPET-ZXFUBFMLSA-N 2 1 326.440 3.152 20 0 EGADMP c1cc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)cc2c1OCO2 ZINC000903139530 1317661283 /nfs/dbraw/zinc/66/12/83/1317661283.db2.gz MQGGESOPLCRPET-ZXFUBFMLSA-N 2 1 326.440 3.152 20 0 EGADMP COc1cccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)OC)c1 ZINC000903206216 1317675449 /nfs/dbraw/zinc/67/54/49/1317675449.db2.gz PJWSDPLTPYYVSC-WQHGSSGSSA-N 2 1 330.472 3.130 20 0 EGADMP O=C(c1cc(F)ccc1F)C1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903722172 1317724508 /nfs/dbraw/zinc/72/45/08/1317724508.db2.gz IGMFIZDIDRNLCQ-CQSZACIVSA-N 2 1 336.426 3.249 20 0 EGADMP CN(C)c1cccc([C@@H]2CCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903740901 1317728887 /nfs/dbraw/zinc/72/88/87/1317728887.db2.gz ZYDULCNVFSAFGD-UXHICEINSA-N 2 1 343.515 3.048 20 0 EGADMP c1c2c(oc1-c1ccccc1)CC[N@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903764503 1317730816 /nfs/dbraw/zinc/73/08/16/1317730816.db2.gz SSXDXEIMXWFNQD-WIYYLYMNSA-N 2 1 338.451 3.073 20 0 EGADMP C[C@@]1(Cc2cccs2)CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903789219 1317734117 /nfs/dbraw/zinc/73/41/17/1317734117.db2.gz UWFKJCSLSMMODX-AEFFLSMTSA-N 2 1 334.529 3.304 20 0 EGADMP FC(F)(F)c1c[nH]c([C@@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903909584 1317746543 /nfs/dbraw/zinc/74/65/43/1317746543.db2.gz FYKXHPLAHKETLP-CPIKKWJDSA-N 2 1 342.409 3.139 20 0 EGADMP FC(F)(F)c1cnc([C@@H]2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)[nH]1 ZINC000903909584 1317746547 /nfs/dbraw/zinc/74/65/47/1317746547.db2.gz FYKXHPLAHKETLP-CPIKKWJDSA-N 2 1 342.409 3.139 20 0 EGADMP FC(F)(F)c1cnc([C@@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)[nH]1 ZINC000903909584 1317746551 /nfs/dbraw/zinc/74/65/51/1317746551.db2.gz FYKXHPLAHKETLP-CPIKKWJDSA-N 2 1 342.409 3.139 20 0 EGADMP FC(F)(F)[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC12CCOCC2 ZINC000903929764 1317750674 /nfs/dbraw/zinc/75/06/74/1317750674.db2.gz LCYXABBWUHSORJ-UYTSQGDYSA-N 2 1 346.437 3.198 20 0 EGADMP CCCCOc1cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)ccc1OC ZINC000903954219 1317757026 /nfs/dbraw/zinc/75/70/26/1317757026.db2.gz APARFXHWKSWXCB-HNNXBMFYSA-N 2 1 342.430 3.209 20 0 EGADMP CSCC[C@@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000904081699 1317785813 /nfs/dbraw/zinc/78/58/13/1317785813.db2.gz SJWJICHANZDJKH-OAHLLOKOSA-N 2 1 332.473 3.085 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)c1ccc(Cl)cc1 ZINC001020586037 1317791271 /nfs/dbraw/zinc/79/12/71/1317791271.db2.gz COTSYQCZGCOOQI-DTTOXWODSA-N 2 1 349.906 3.122 20 0 EGADMP C[C@]1(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)CCC[NH2+]C1 ZINC000904370992 1317837343 /nfs/dbraw/zinc/83/73/43/1317837343.db2.gz GZHXHWAOGXLYSH-GJZGRUSLSA-N 2 1 334.426 3.057 20 0 EGADMP C[C@H](O)c1ncc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)s1 ZINC000809642709 1317854613 /nfs/dbraw/zinc/85/46/13/1317854613.db2.gz MPQVOXAEKCEXOE-AWEZNQCLSA-N 2 1 325.522 3.331 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)C1 ZINC000809735332 1317883095 /nfs/dbraw/zinc/88/30/95/1317883095.db2.gz BDUCEBAFWQCOCX-SFHVURJKSA-N 2 1 344.547 3.041 20 0 EGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000810244473 1317985662 /nfs/dbraw/zinc/98/56/62/1317985662.db2.gz DWAUAXLWUXNAQP-IAGOWNOFSA-N 2 1 341.540 3.486 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000810244473 1317985668 /nfs/dbraw/zinc/98/56/68/1317985668.db2.gz DWAUAXLWUXNAQP-IAGOWNOFSA-N 2 1 341.540 3.486 20 0 EGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000810261869 1317989364 /nfs/dbraw/zinc/98/93/64/1317989364.db2.gz GPZSMYVBXQGXQQ-SFHVURJKSA-N 2 1 346.563 3.431 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000810261869 1317989370 /nfs/dbraw/zinc/98/93/70/1317989370.db2.gz GPZSMYVBXQGXQQ-SFHVURJKSA-N 2 1 346.563 3.431 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001021282280 1318170507 /nfs/dbraw/zinc/17/05/07/1318170507.db2.gz VFSPGBRTSDVKIM-SEBOWIOWSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001021282280 1318170514 /nfs/dbraw/zinc/17/05/14/1318170514.db2.gz VFSPGBRTSDVKIM-SEBOWIOWSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001021282280 1318170518 /nfs/dbraw/zinc/17/05/18/1318170518.db2.gz VFSPGBRTSDVKIM-SEBOWIOWSA-N 2 1 347.547 3.161 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC(C)(C)C1 ZINC001021380743 1318223589 /nfs/dbraw/zinc/22/35/89/1318223589.db2.gz SIIXCIJDBNFCPC-UXDRXVOSSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1 ZINC001021380743 1318223598 /nfs/dbraw/zinc/22/35/98/1318223598.db2.gz SIIXCIJDBNFCPC-UXDRXVOSSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1 ZINC001021380743 1318223604 /nfs/dbraw/zinc/22/36/04/1318223604.db2.gz SIIXCIJDBNFCPC-UXDRXVOSSA-N 2 1 347.547 3.019 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(C)C ZINC001021434526 1318248460 /nfs/dbraw/zinc/24/84/60/1318248460.db2.gz KCLUQWJQFFTOPT-NXEWRWPSSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001021434526 1318248468 /nfs/dbraw/zinc/24/84/68/1318248468.db2.gz KCLUQWJQFFTOPT-NXEWRWPSSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001021434526 1318248475 /nfs/dbraw/zinc/24/84/75/1318248475.db2.gz KCLUQWJQFFTOPT-NXEWRWPSSA-N 2 1 349.563 3.409 20 0 EGADMP C[NH+](C)Cc1cc(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)ccc1Cl ZINC000907966584 1318287019 /nfs/dbraw/zinc/28/70/19/1318287019.db2.gz DWBSPNWZDSUXJI-NVXWUHKLSA-N 2 1 335.879 3.357 20 0 EGADMP C[NH+](C)Cc1cc(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)ccc1Cl ZINC000907966584 1318287025 /nfs/dbraw/zinc/28/70/25/1318287025.db2.gz DWBSPNWZDSUXJI-NVXWUHKLSA-N 2 1 335.879 3.357 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000960006740 1318310312 /nfs/dbraw/zinc/31/03/12/1318310312.db2.gz JLZDHJIGPDDHKC-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+]1CCC2(CCC(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)CC2)CC1 ZINC000908498910 1318355064 /nfs/dbraw/zinc/35/50/64/1318355064.db2.gz NUZHTKRGRFVKRY-LJQANCHMSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@@H]1[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000813828519 1318638970 /nfs/dbraw/zinc/63/89/70/1318638970.db2.gz UQVQMUOESZUYPQ-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnn(C)c2Cl)C[N@H+]1Cc1ccccc1 ZINC000815131446 1318905421 /nfs/dbraw/zinc/90/54/21/1318905421.db2.gz DINQPRSPJGABDI-NVXWUHKLSA-N 2 1 346.906 3.464 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC(C)CC3)C2)C1 ZINC001022585539 1319005050 /nfs/dbraw/zinc/00/50/50/1319005050.db2.gz QKKHGHGQVBGHQN-RNUBBMKBSA-N 2 1 349.563 3.172 20 0 EGADMP CCc1ncc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000930169573 1328803057 /nfs/dbraw/zinc/80/30/57/1328803057.db2.gz CBZYMNDYTFEZNL-UHFFFAOYSA-N 2 1 328.460 3.371 20 0 EGADMP C[N@@H+](Cc1ccc(CN2CCOCC2)cc1)Cc1ccc(Cl)nc1 ZINC000817274461 1319309082 /nfs/dbraw/zinc/30/90/82/1319309082.db2.gz LHQPYTVBGMMEES-UHFFFAOYSA-N 2 1 345.874 3.199 20 0 EGADMP CN(Cc1ccc(CN2CCOCC2)cc1)Cc1ccc(Cl)nc1 ZINC000817274461 1319309092 /nfs/dbraw/zinc/30/90/92/1319309092.db2.gz LHQPYTVBGMMEES-UHFFFAOYSA-N 2 1 345.874 3.199 20 0 EGADMP CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961256098 1319403188 /nfs/dbraw/zinc/40/31/88/1319403188.db2.gz HJHDNBSWKWTUDR-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP Cn1c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc2cc(F)ccc21 ZINC000817903810 1319457028 /nfs/dbraw/zinc/45/70/28/1319457028.db2.gz LLIXODPDJFJMOC-HRCADAONSA-N 2 1 330.451 3.113 20 0 EGADMP [NH3+][C@H]1C[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)c2ccccc21 ZINC000817929445 1319463076 /nfs/dbraw/zinc/46/30/76/1319463076.db2.gz HUYJYTZVEFBGCK-ULQDDVLXSA-N 2 1 347.256 3.217 20 0 EGADMP Fc1cnc(Cl)c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000817933810 1319464414 /nfs/dbraw/zinc/46/44/14/1319464414.db2.gz SWPCAICPCWHULY-QAPCUYQASA-N 2 1 347.821 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023365056 1319475704 /nfs/dbraw/zinc/47/57/04/1319475704.db2.gz VXFWZXKGFJRPAS-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001023365056 1319475711 /nfs/dbraw/zinc/47/57/11/1319475711.db2.gz VXFWZXKGFJRPAS-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001023365056 1319475716 /nfs/dbraw/zinc/47/57/16/1319475716.db2.gz VXFWZXKGFJRPAS-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023364880 1319475960 /nfs/dbraw/zinc/47/59/60/1319475960.db2.gz RXUXKYYRHTZEQJ-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001023364880 1319475966 /nfs/dbraw/zinc/47/59/66/1319475966.db2.gz RXUXKYYRHTZEQJ-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001023364880 1319475970 /nfs/dbraw/zinc/47/59/70/1319475970.db2.gz RXUXKYYRHTZEQJ-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023365280 1319476533 /nfs/dbraw/zinc/47/65/33/1319476533.db2.gz BHNKVFGLZGMWJU-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001023365280 1319476538 /nfs/dbraw/zinc/47/65/38/1319476538.db2.gz BHNKVFGLZGMWJU-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001023365280 1319476545 /nfs/dbraw/zinc/47/65/45/1319476545.db2.gz BHNKVFGLZGMWJU-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP COc1ccc([C@@H](C)[NH2+][C@@H](CN)C2CC2)cc1C[NH+]1CCCCC1 ZINC000817960663 1319478186 /nfs/dbraw/zinc/47/81/86/1319478186.db2.gz OZRUYOYRGLEMAM-BEFAXECRSA-N 2 1 331.504 3.069 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](CC3=CCCCC3)C2)CC[N@H+]1C ZINC001023371730 1319484308 /nfs/dbraw/zinc/48/43/08/1319484308.db2.gz DHSLOQFIAOOGDZ-HSALFYBXSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+](CC3=CCCCC3)C2)CC[NH+]1C ZINC001023371730 1319484314 /nfs/dbraw/zinc/48/43/14/1319484314.db2.gz DHSLOQFIAOOGDZ-HSALFYBXSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CC3=CCCCC3)C2)CC[NH+]1C ZINC001023371730 1319484319 /nfs/dbraw/zinc/48/43/19/1319484319.db2.gz DHSLOQFIAOOGDZ-HSALFYBXSA-N 2 1 347.547 3.045 20 0 EGADMP COc1cc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)ccc1SC(F)F ZINC000817981850 1319485549 /nfs/dbraw/zinc/48/55/49/1319485549.db2.gz VVDYFHBNYRDRLI-WCQYABFASA-N 2 1 346.443 3.039 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023402157 1319510332 /nfs/dbraw/zinc/51/03/32/1319510332.db2.gz HDSPEJWPUFCOBZ-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001023402157 1319510343 /nfs/dbraw/zinc/51/03/43/1319510343.db2.gz HDSPEJWPUFCOBZ-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001023402157 1319510350 /nfs/dbraw/zinc/51/03/50/1319510350.db2.gz HDSPEJWPUFCOBZ-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(NC[C@H]1CCC[N@@H+](CCC2CC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001023414501 1319519169 /nfs/dbraw/zinc/51/91/69/1319519169.db2.gz UWPSSTVQBTXULO-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[NH+](CCC2CC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001023414501 1319519177 /nfs/dbraw/zinc/51/91/77/1319519177.db2.gz UWPSSTVQBTXULO-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[NH+](CCC2CC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001023414501 1319519182 /nfs/dbraw/zinc/51/91/82/1319519182.db2.gz UWPSSTVQBTXULO-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961410823 1319567509 /nfs/dbraw/zinc/56/75/09/1319567509.db2.gz JKQAAMZLNIDDTG-UYAOXDASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000961410823 1319567513 /nfs/dbraw/zinc/56/75/13/1319567513.db2.gz JKQAAMZLNIDDTG-UYAOXDASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000961410823 1319567519 /nfs/dbraw/zinc/56/75/19/1319567519.db2.gz JKQAAMZLNIDDTG-UYAOXDASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCC[C@H](C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000961419884 1319579208 /nfs/dbraw/zinc/57/92/08/1319579208.db2.gz HUCSTSLMRXXBKG-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)c2c(F)cccc2F)C1 ZINC000818960405 1319589949 /nfs/dbraw/zinc/58/99/49/1319589949.db2.gz YXZKHNBBQDAJLK-YOEHRIQHSA-N 2 1 326.431 3.100 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000819101013 1319634204 /nfs/dbraw/zinc/63/42/04/1319634204.db2.gz KSLQNHZAFPXXET-MRXNPFEDSA-N 2 1 341.377 3.314 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccccc2)[C@@H]1c1cccs1 ZINC000819100837 1319634277 /nfs/dbraw/zinc/63/42/77/1319634277.db2.gz JIEHNXQWOJXMEG-JENIJYKNSA-N 2 1 330.497 3.454 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccccc2)[C@@H]1c1cccs1 ZINC000819100837 1319634288 /nfs/dbraw/zinc/63/42/88/1319634288.db2.gz JIEHNXQWOJXMEG-JENIJYKNSA-N 2 1 330.497 3.454 20 0 EGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1COC2(CCCCCC2)O1 ZINC000820836363 1319965279 /nfs/dbraw/zinc/96/52/79/1319965279.db2.gz QAMQMWBXHNPKSZ-DQXYTYHJSA-N 2 1 334.504 3.200 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1 ZINC000821982880 1320045265 /nfs/dbraw/zinc/04/52/65/1320045265.db2.gz NLUGOZDHSQYELE-CVEARBPZSA-N 2 1 339.524 3.096 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000836878339 1320546030 /nfs/dbraw/zinc/54/60/30/1320546030.db2.gz FIBPURVWRYIWPP-GOSISDBHSA-N 2 1 326.444 3.159 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C(=O)[C@@H](C3CC3)[C@@H]2C2CC2)CC1 ZINC000840001286 1321011942 /nfs/dbraw/zinc/01/19/42/1321011942.db2.gz ZBHICSLHAUMIGB-PMACEKPBSA-N 2 1 347.547 3.035 20 0 EGADMP C[C@H]1C(=O)N(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C[C@H]1C ZINC000840025431 1321014360 /nfs/dbraw/zinc/01/43/60/1321014360.db2.gz CDTHSEHATSTFOT-KZNAEPCWSA-N 2 1 335.536 3.035 20 0 EGADMP C[C@H]1C(=O)N(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C[C@H]1C ZINC000840025431 1321014363 /nfs/dbraw/zinc/01/43/63/1321014363.db2.gz CDTHSEHATSTFOT-KZNAEPCWSA-N 2 1 335.536 3.035 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)nc1 ZINC000840809724 1321153578 /nfs/dbraw/zinc/15/35/78/1321153578.db2.gz NDRQZHQCENMWFF-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841032077 1321204754 /nfs/dbraw/zinc/20/47/54/1321204754.db2.gz JMEAVVGTGPNLHS-LAUBAEHRSA-N 2 1 329.532 3.321 20 0 EGADMP C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215005 1328947734 /nfs/dbraw/zinc/94/77/34/1328947734.db2.gz WTOSURCVKMTUKI-KZNAEPCWSA-N 2 1 345.531 3.073 20 0 EGADMP CN(C(=O)CC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000859214017 1328947836 /nfs/dbraw/zinc/94/78/36/1328947836.db2.gz TVHCYHICKUMZSL-UHFFFAOYSA-N 2 1 339.483 3.233 20 0 EGADMP C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211790 1328946866 /nfs/dbraw/zinc/94/68/66/1328946866.db2.gz AGQFKSAEVPGVKU-UWJYYQICSA-N 2 1 326.484 3.345 20 0 EGADMP CO[C@H](Cc1ccccc1)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213327 1328947215 /nfs/dbraw/zinc/94/72/15/1328947215.db2.gz VMWAEONGCXRBHC-OAQYLSRUSA-N 2 1 326.484 3.438 20 0 EGADMP CC(C)N(C(=O)[C@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)C(C)C ZINC000859214058 1328947916 /nfs/dbraw/zinc/94/79/16/1328947916.db2.gz LPFMZFWNJLWPJY-KRWDZBQOSA-N 2 1 333.520 3.214 20 0 EGADMP Fc1cccc(C[N@H+]2CCC[C@H](c3nc([C@@H]4CCC[NH2+]C4)no3)C2)c1 ZINC000842669434 1321415145 /nfs/dbraw/zinc/41/51/45/1321415145.db2.gz OXDPQAPYOXJMLD-CVEARBPZSA-N 2 1 344.434 3.055 20 0 EGADMP Fc1cccc(C[N@H+]2CCC[C@@H](c3nc([C@@H]4CCC[NH2+]C4)no3)C2)c1 ZINC000842669439 1321416023 /nfs/dbraw/zinc/41/60/23/1321416023.db2.gz OXDPQAPYOXJMLD-HZPDHXFCSA-N 2 1 344.434 3.055 20 0 EGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000843053728 1321462893 /nfs/dbraw/zinc/46/28/93/1321462893.db2.gz GINALSSWBZFKJU-IHWFROFDSA-N 3 1 343.515 3.005 20 0 EGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000843053728 1321462897 /nfs/dbraw/zinc/46/28/97/1321462897.db2.gz GINALSSWBZFKJU-IHWFROFDSA-N 2 1 343.515 3.005 20 0 EGADMP O[C@H](C[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000843064510 1321464607 /nfs/dbraw/zinc/46/46/07/1321464607.db2.gz GZHHYVMMUVXINQ-IEBWSBKVSA-N 2 1 330.497 3.283 20 0 EGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843112650 1321472533 /nfs/dbraw/zinc/47/25/33/1321472533.db2.gz KMQYCPNRSGTXKC-QGZVFWFLSA-N 2 1 346.906 3.454 20 0 EGADMP CC[C@H](C)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000843368266 1321507611 /nfs/dbraw/zinc/50/76/11/1321507611.db2.gz MUKKEFRAJIYWLR-IAAVTCLWSA-N 2 1 329.488 3.198 20 0 EGADMP CC[C@H](C)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000843368266 1321507613 /nfs/dbraw/zinc/50/76/13/1321507613.db2.gz MUKKEFRAJIYWLR-IAAVTCLWSA-N 2 1 329.488 3.198 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c2cc1C ZINC000843387206 1321509168 /nfs/dbraw/zinc/50/91/68/1321509168.db2.gz FQHDRVCXGLNTLE-DLBZAZTESA-N 2 1 340.467 3.231 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc3ccccc3nc2Cl)CC12CCOCC2 ZINC000843387901 1321509264 /nfs/dbraw/zinc/50/92/64/1321509264.db2.gz JPOAAWBMYCWJIJ-MRXNPFEDSA-N 2 1 345.874 3.076 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3ccccc3nc2Cl)CC12CCOCC2 ZINC000843387901 1321509270 /nfs/dbraw/zinc/50/92/70/1321509270.db2.gz JPOAAWBMYCWJIJ-MRXNPFEDSA-N 2 1 345.874 3.076 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(Cl)nc(Cl)c3)C2)C1 ZINC000846225949 1321777989 /nfs/dbraw/zinc/77/79/89/1321777989.db2.gz RVSCMABFBZDLJL-MCIONIFRSA-N 2 1 344.286 3.107 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)nc(Cl)c3)C2)C1 ZINC000846225949 1321777991 /nfs/dbraw/zinc/77/79/91/1321777991.db2.gz RVSCMABFBZDLJL-MCIONIFRSA-N 2 1 344.286 3.107 20 0 EGADMP Cn1c[nH+]cc1CCC[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000846803072 1321810736 /nfs/dbraw/zinc/81/07/36/1321810736.db2.gz MFKBEYNYGFRXMJ-IBGZPJMESA-N 2 1 347.890 3.452 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000848550179 1321974173 /nfs/dbraw/zinc/97/41/73/1321974173.db2.gz FCGMBTZNBZNWMX-JYJNAYRXSA-N 2 1 327.513 3.141 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000848550179 1321974177 /nfs/dbraw/zinc/97/41/77/1321974177.db2.gz FCGMBTZNBZNWMX-JYJNAYRXSA-N 2 1 327.513 3.141 20 0 EGADMP ClC1(Cl)C[C@H]1CCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848555843 1321974969 /nfs/dbraw/zinc/97/49/69/1321974969.db2.gz GCHQBQSOOLZPME-HIFRSBDPSA-N 2 1 335.319 3.193 20 0 EGADMP C[C@@H]1C[C@H](CCNC(=[NH2+])Nc2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000848989830 1322057008 /nfs/dbraw/zinc/05/70/08/1322057008.db2.gz DVCVZSGGGWNKDH-AEFFLSMTSA-N 2 1 337.471 3.319 20 0 EGADMP CC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000849012897 1322057642 /nfs/dbraw/zinc/05/76/42/1322057642.db2.gz QFHADNVGTRHFTD-NVXWUHKLSA-N 2 1 332.492 3.135 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(Cl)cccc1Cl ZINC000849062930 1322063450 /nfs/dbraw/zinc/06/34/50/1322063450.db2.gz FRGDSXKJMLLDRR-NSHDSACASA-N 2 1 329.275 3.092 20 0 EGADMP CCC[N@@H+](CC)CCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849082564 1322071333 /nfs/dbraw/zinc/07/13/33/1322071333.db2.gz GMYOITGYBQIBAH-UHFFFAOYSA-N 2 1 332.370 3.253 20 0 EGADMP C[C@@H](CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)[N@@H+](C)C1CC1 ZINC000849083758 1322072186 /nfs/dbraw/zinc/07/21/86/1322072186.db2.gz HRCCYRFJYARKOL-JTQLQIEISA-N 2 1 330.354 3.004 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(NC(=O)OCC)CC1 ZINC000850434349 1322248863 /nfs/dbraw/zinc/24/88/63/1322248863.db2.gz XFZGANQGMNKYKN-DAWZGUTISA-N 2 1 339.524 3.288 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(NC(=O)OCC)CC1 ZINC000850434349 1322248870 /nfs/dbraw/zinc/24/88/70/1322248870.db2.gz XFZGANQGMNKYKN-DAWZGUTISA-N 2 1 339.524 3.288 20 0 EGADMP CC[NH+](CC)Cc1ccc(CNC(=O)CCCn2cc[nH+]c2C)cc1 ZINC000921056290 1322249330 /nfs/dbraw/zinc/24/93/30/1322249330.db2.gz DSYWQLKASPVKCP-UHFFFAOYSA-N 2 1 342.487 3.130 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(Cl)c1F)C2 ZINC000922389832 1322516263 /nfs/dbraw/zinc/51/62/63/1322516263.db2.gz XLVYNGCSGNZDRM-LMSBXDPUSA-N 2 1 340.870 3.048 20 0 EGADMP CCCC[N@H+](Cc1ccc(OC)nn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034161 1329034024 /nfs/dbraw/zinc/03/40/24/1329034024.db2.gz PFJFFJULTXQKSG-UHFFFAOYSA-N 2 1 334.508 3.397 20 0 EGADMP CCCC[N@@H+](Cc1ccc(OC)nn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034161 1329034029 /nfs/dbraw/zinc/03/40/29/1329034029.db2.gz PFJFFJULTXQKSG-UHFFFAOYSA-N 2 1 334.508 3.397 20 0 EGADMP O[C@H](C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccc(F)cc1Cl ZINC000923390855 1322744447 /nfs/dbraw/zinc/74/44/47/1322744447.db2.gz WKGVELHPTSFAPA-KBXCAEBGSA-N 2 1 340.870 3.224 20 0 EGADMP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000923413806 1322747321 /nfs/dbraw/zinc/74/73/21/1322747321.db2.gz HKAPQCVRRLZYIA-ZBONBFHTSA-N 2 1 330.476 3.009 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000923486517 1322761012 /nfs/dbraw/zinc/76/10/12/1322761012.db2.gz RLGFHAQEVAKBHJ-YESZJQIVSA-N 2 1 339.483 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000931168611 1329065056 /nfs/dbraw/zinc/06/50/56/1329065056.db2.gz MEBCSVKVDQEKEH-GOSISDBHSA-N 2 1 347.528 3.047 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001024018685 1323081098 /nfs/dbraw/zinc/08/10/98/1323081098.db2.gz RMOHSYSHVNOHAY-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024024397 1323082249 /nfs/dbraw/zinc/08/22/49/1323082249.db2.gz ZVOYNLRTLVYKNM-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000924629743 1323083847 /nfs/dbraw/zinc/08/38/47/1323083847.db2.gz XHEDIIJXDLGOMR-QRWLVFNGSA-N 2 1 349.494 3.101 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1cnn(C)n1 ZINC000924632500 1323085706 /nfs/dbraw/zinc/08/57/06/1323085706.db2.gz DIVCFYCZWSAZSX-INIZCTEOSA-N 2 1 349.482 3.395 20 0 EGADMP C[C@@H](C[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000924661744 1323100476 /nfs/dbraw/zinc/10/04/76/1323100476.db2.gz RBGIJBWRDAELQM-JUVOFCAFSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H](C[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)[N@H+]1CCCC[C@@H]1C ZINC000924661744 1323100478 /nfs/dbraw/zinc/10/04/78/1323100478.db2.gz RBGIJBWRDAELQM-JUVOFCAFSA-N 2 1 339.524 3.142 20 0 EGADMP CC1(C)OC[C@@H](CC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)O1 ZINC000852039630 1323137622 /nfs/dbraw/zinc/13/76/22/1323137622.db2.gz HJOQLFTWYWHIOD-CTNGQTDRSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@@H](CC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)O1 ZINC000852039630 1323137628 /nfs/dbraw/zinc/13/76/28/1323137628.db2.gz HJOQLFTWYWHIOD-CTNGQTDRSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@@H](CC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)O1 ZINC000852039630 1323137632 /nfs/dbraw/zinc/13/76/32/1323137632.db2.gz HJOQLFTWYWHIOD-CTNGQTDRSA-N 2 1 344.499 3.126 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC3CCCC3)C2)C1 ZINC001024119376 1323149511 /nfs/dbraw/zinc/14/95/11/1323149511.db2.gz YLHWHZFEKHXRAF-WOJBJXKFSA-N 2 1 349.563 3.127 20 0 EGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852708493 1323229366 /nfs/dbraw/zinc/22/93/66/1323229366.db2.gz CCSUYHFIFRCCMU-GUYCJALGSA-N 2 1 342.405 3.297 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1csc2ccccc21 ZINC000924966346 1323231975 /nfs/dbraw/zinc/23/19/75/1323231975.db2.gz SMALOBFXDJSKDV-GJZGRUSLSA-N 2 1 345.512 3.139 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479175 1323431102 /nfs/dbraw/zinc/43/11/02/1323431102.db2.gz AZPFFEWGBXONRW-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479175 1323431105 /nfs/dbraw/zinc/43/11/05/1323431105.db2.gz AZPFFEWGBXONRW-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479175 1323431108 /nfs/dbraw/zinc/43/11/08/1323431108.db2.gz AZPFFEWGBXONRW-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1CC1CCCC1)C12CCC[NH+](CCC1)C2 ZINC001024502269 1323449170 /nfs/dbraw/zinc/44/91/70/1323449170.db2.gz LLCYYFWGWICZRF-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024514126 1323464441 /nfs/dbraw/zinc/46/44/41/1323464441.db2.gz VXALTXUFGUHNNB-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC001024514126 1323464446 /nfs/dbraw/zinc/46/44/46/1323464446.db2.gz VXALTXUFGUHNNB-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCC1CCC1 ZINC001024514126 1323464452 /nfs/dbraw/zinc/46/44/52/1323464452.db2.gz VXALTXUFGUHNNB-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CC2(CCC2)C1 ZINC001024514418 1323465463 /nfs/dbraw/zinc/46/54/63/1323465463.db2.gz ZEXOWCCEUJNGAW-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001024514418 1323465468 /nfs/dbraw/zinc/46/54/68/1323465468.db2.gz ZEXOWCCEUJNGAW-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CC2(CCC2)C1 ZINC001024514418 1323465474 /nfs/dbraw/zinc/46/54/74/1323465474.db2.gz ZEXOWCCEUJNGAW-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC2CCC(C)(C)CC2)C1 ZINC001024801239 1323704462 /nfs/dbraw/zinc/70/44/62/1323704462.db2.gz LMMMILBAXPLLAS-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC2CCC(C)(C)CC2)C1 ZINC001024801239 1323704465 /nfs/dbraw/zinc/70/44/65/1323704465.db2.gz LMMMILBAXPLLAS-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CC2CCC(C)(C)CC2)C1 ZINC001024801239 1323704468 /nfs/dbraw/zinc/70/44/68/1323704468.db2.gz LMMMILBAXPLLAS-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)cs1 ZINC001024982758 1323813501 /nfs/dbraw/zinc/81/35/01/1323813501.db2.gz BCEAQNWYJDGKOH-GOSISDBHSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCC2)C1 ZINC001025056152 1323859781 /nfs/dbraw/zinc/85/97/81/1323859781.db2.gz BDODJNMEUSHOHK-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1)c1ccccc1 ZINC001025170119 1323939291 /nfs/dbraw/zinc/93/92/91/1323939291.db2.gz XLIXECLDOUJLIW-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000859996252 1329124797 /nfs/dbraw/zinc/12/47/97/1329124797.db2.gz BMMUYDHUTGYDHI-GOSISDBHSA-N 2 1 330.472 3.056 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240868 1324034578 /nfs/dbraw/zinc/03/45/78/1324034578.db2.gz RRCMBFXJLZHWAT-RTBURBONSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001025469495 1324315535 /nfs/dbraw/zinc/31/55/35/1324315535.db2.gz PZZNVELNBLXLTI-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475871 1324320502 /nfs/dbraw/zinc/32/05/02/1324320502.db2.gz VUJAJORDSUGJHS-FUHWJXTLSA-N 2 1 342.487 3.211 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025485492 1324334850 /nfs/dbraw/zinc/33/48/50/1324334850.db2.gz NVUNJDMHYPZPIH-DLBZAZTESA-N 2 1 340.471 3.131 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025589360 1324434120 /nfs/dbraw/zinc/43/41/20/1324434120.db2.gz FIPBWJLCUDAJBO-FXAWDEMLSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001026465267 1324824827 /nfs/dbraw/zinc/82/48/27/1324824827.db2.gz NVFXNDZRDIJRDW-ACBHZAAOSA-N 2 1 335.536 3.068 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccccc2)CC1 ZINC001026610605 1324931247 /nfs/dbraw/zinc/93/12/47/1324931247.db2.gz NZPGZWXVWDRZES-MHJFOBGBSA-N 2 1 343.515 3.078 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963359018 1325154316 /nfs/dbraw/zinc/15/43/16/1325154316.db2.gz ZWKCCMJOWWPADW-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1 ZINC000925531797 1325193670 /nfs/dbraw/zinc/19/36/70/1325193670.db2.gz AFEHXNVZDAVYSJ-CEXWTWQISA-N 2 1 343.515 3.035 20 0 EGADMP c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925536796 1325197497 /nfs/dbraw/zinc/19/74/97/1325197497.db2.gz GNJNKRXLEJOPHG-SFTDATJTSA-N 2 1 338.499 3.189 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001027062930 1325199713 /nfs/dbraw/zinc/19/97/13/1325199713.db2.gz FGWQUWAEHNGLQB-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP c1sc(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)nc1C1CCCCC1 ZINC000925573974 1325217002 /nfs/dbraw/zinc/21/70/02/1325217002.db2.gz XQFWFZCNOPINPI-QERJWTBHSA-N 2 1 331.529 3.319 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(-n3cnnc3)c2)C1 ZINC000925589589 1325222900 /nfs/dbraw/zinc/22/29/00/1325222900.db2.gz ZJQXDGDHOGUKDZ-ROUUACIJSA-N 2 1 341.503 3.286 20 0 EGADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC2([NH3+])CCCC2)ccc1OC ZINC000854222827 1325230377 /nfs/dbraw/zinc/23/03/77/1325230377.db2.gz LJXXUJPGXRTWBM-INIZCTEOSA-N 3 1 333.520 3.459 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cn(C)cn1 ZINC000925618361 1325232833 /nfs/dbraw/zinc/23/28/33/1325232833.db2.gz ZVDSHXLULNYENI-JENIJYKNSA-N 2 1 326.488 3.371 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cn(C)cn1 ZINC000925618363 1325233326 /nfs/dbraw/zinc/23/33/26/1325233326.db2.gz ZVDSHXLULNYENI-ZIFCJYIRSA-N 2 1 326.488 3.371 20 0 EGADMP c1ccc([C@H]2C[C@H]([NH2+]CCc3nc4c(s3)CCC4)CC[NH2+]2)cc1 ZINC000925832528 1325321193 /nfs/dbraw/zinc/32/11/93/1325321193.db2.gz RWRZCTZMYIOLOU-NVXWUHKLSA-N 2 1 327.497 3.257 20 0 EGADMP CCC(CC)[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CCO1 ZINC000926110521 1325432756 /nfs/dbraw/zinc/43/27/56/1325432756.db2.gz WVFRZSCBHGYRSZ-FCFHUKJJSA-N 2 1 338.536 3.202 20 0 EGADMP C/C=C/C[C@@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926200819 1325467476 /nfs/dbraw/zinc/46/74/76/1325467476.db2.gz JZLVUQYGXJMTIG-MIUMLDSBSA-N 2 1 328.500 3.489 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027435153 1327673354 /nfs/dbraw/zinc/67/33/54/1327673354.db2.gz ZGJFYWBSDLQDBB-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001027435153 1327673368 /nfs/dbraw/zinc/67/33/68/1327673368.db2.gz ZGJFYWBSDLQDBB-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001027435153 1327673378 /nfs/dbraw/zinc/67/33/78/1327673378.db2.gz ZGJFYWBSDLQDBB-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027435151 1327674896 /nfs/dbraw/zinc/67/48/96/1327674896.db2.gz ZGJFYWBSDLQDBB-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001027435151 1327674902 /nfs/dbraw/zinc/67/49/02/1327674902.db2.gz ZGJFYWBSDLQDBB-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001027435151 1327674911 /nfs/dbraw/zinc/67/49/11/1327674911.db2.gz ZGJFYWBSDLQDBB-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027464431 1327714633 /nfs/dbraw/zinc/71/46/33/1327714633.db2.gz GFYYRZAMSOEWHD-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001027464431 1327714640 /nfs/dbraw/zinc/71/46/40/1327714640.db2.gz GFYYRZAMSOEWHD-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001027464431 1327714648 /nfs/dbraw/zinc/71/46/48/1327714648.db2.gz GFYYRZAMSOEWHD-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP C[N@@H+](CC1CC1)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027541847 1327845548 /nfs/dbraw/zinc/84/55/48/1327845548.db2.gz CBKVVJSCGWMIFQ-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CC1)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027541847 1327845557 /nfs/dbraw/zinc/84/55/57/1327845557.db2.gz CBKVVJSCGWMIFQ-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CC1)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027541847 1327845571 /nfs/dbraw/zinc/84/55/71/1327845571.db2.gz CBKVVJSCGWMIFQ-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000928011187 1328170943 /nfs/dbraw/zinc/17/09/43/1328170943.db2.gz MHINDSWNZPYTDV-OBXNSHGQSA-N 2 1 343.515 3.203 20 0 EGADMP CC1([NH+]2CCCC2)CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000928011520 1328171007 /nfs/dbraw/zinc/17/10/07/1328171007.db2.gz VNJLGTIMMZTPDP-MOMVYJMYSA-N 2 1 347.547 3.307 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885718 1328354547 /nfs/dbraw/zinc/35/45/47/1328354547.db2.gz IQILISKMKJVGIY-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885718 1328354552 /nfs/dbraw/zinc/35/45/52/1328354552.db2.gz IQILISKMKJVGIY-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885718 1328354554 /nfs/dbraw/zinc/35/45/54/1328354554.db2.gz IQILISKMKJVGIY-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027931772 1328410816 /nfs/dbraw/zinc/41/08/16/1328410816.db2.gz KJMHKVMMKCMZHW-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001027931772 1328410821 /nfs/dbraw/zinc/41/08/21/1328410821.db2.gz KJMHKVMMKCMZHW-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001027931772 1328410826 /nfs/dbraw/zinc/41/08/26/1328410826.db2.gz KJMHKVMMKCMZHW-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001027986422 1328458414 /nfs/dbraw/zinc/45/84/14/1328458414.db2.gz WUSQNDCLYJUHSV-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001027986422 1328458419 /nfs/dbraw/zinc/45/84/19/1328458419.db2.gz WUSQNDCLYJUHSV-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001027986422 1328458423 /nfs/dbraw/zinc/45/84/23/1328458423.db2.gz WUSQNDCLYJUHSV-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1C(C)(C)C ZINC000865630992 1329722842 /nfs/dbraw/zinc/72/28/42/1329722842.db2.gz BKMGIQZSBSCRPU-SFHVURJKSA-N 2 1 346.515 3.336 20 0 EGADMP CS[C@H]1CN(c2cc[nH+]cc2C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000865685299 1329729288 /nfs/dbraw/zinc/72/92/88/1329729288.db2.gz FVIJNPMRGJHEBP-KGLIPLIRSA-N 2 1 331.407 3.116 20 0 EGADMP Cc1nccn1CCCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931794533 1329761497 /nfs/dbraw/zinc/76/14/97/1329761497.db2.gz AMEBQHJFKJEDFR-FQEVSTJZSA-N 2 1 335.455 3.343 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931794533 1329761499 /nfs/dbraw/zinc/76/14/99/1329761499.db2.gz AMEBQHJFKJEDFR-FQEVSTJZSA-N 2 1 335.455 3.343 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)C1 ZINC000933780298 1329922397 /nfs/dbraw/zinc/92/23/97/1329922397.db2.gz XFCZEDQKXMNKRK-QGZVFWFLSA-N 2 1 347.503 3.069 20 0 EGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)CC[NH2+]C(C)(C)C)cc2)C1 ZINC000933918849 1329933521 /nfs/dbraw/zinc/93/35/21/1329933521.db2.gz WSABGGLXINWGHI-INIZCTEOSA-N 2 1 347.503 3.124 20 0 EGADMP CCC[N@@H+](CC[C@H]1CCOC1=O)C1CCN(Cc2ccccc2)CC1 ZINC000934190022 1329953683 /nfs/dbraw/zinc/95/36/83/1329953683.db2.gz UUOKVOXNMSEAEZ-IBGZPJMESA-N 2 1 344.499 3.316 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(C3(C)OCCO3)cc2)CC1 ZINC000866420705 1330109423 /nfs/dbraw/zinc/10/94/23/1330109423.db2.gz HFRVTBNFXUKEOW-UHFFFAOYSA-N 2 1 332.488 3.259 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942206321 1331878731 /nfs/dbraw/zinc/87/87/31/1331878731.db2.gz XVAQKDLVRAHBOT-KXBFYZLASA-N 2 1 340.471 3.049 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000942302113 1331898363 /nfs/dbraw/zinc/89/83/63/1331898363.db2.gz IWSIHVQSAXHBIT-CRAIPNDOSA-N 2 1 342.487 3.211 20 0 EGADMP C[C@H]1C[N@@H+](CCCC2CCC2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943289316 1332139029 /nfs/dbraw/zinc/13/90/29/1332139029.db2.gz PZBLUEDSMHRKAM-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCC2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943289317 1332139056 /nfs/dbraw/zinc/13/90/56/1332139056.db2.gz PZBLUEDSMHRKAM-XLIONFOSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586637 1332858243 /nfs/dbraw/zinc/85/82/43/1332858243.db2.gz QEFJOLBNQKRYFF-ZCNNSNEGSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586637 1332858246 /nfs/dbraw/zinc/85/82/46/1332858246.db2.gz QEFJOLBNQKRYFF-ZCNNSNEGSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586637 1332858248 /nfs/dbraw/zinc/85/82/48/1332858248.db2.gz QEFJOLBNQKRYFF-ZCNNSNEGSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946644795 1332869368 /nfs/dbraw/zinc/86/93/68/1332869368.db2.gz JOIQMGBTSQEFSR-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946644795 1332869369 /nfs/dbraw/zinc/86/93/69/1332869369.db2.gz JOIQMGBTSQEFSR-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC[C@@H]2C1 ZINC000946644795 1332869370 /nfs/dbraw/zinc/86/93/70/1332869370.db2.gz JOIQMGBTSQEFSR-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[N@@H+](CC3CCC3)[C@H](C)C2)ccc2c[nH+]cn21 ZINC000947474329 1333142120 /nfs/dbraw/zinc/14/21/20/1333142120.db2.gz RFIFEWXSJMEFTB-PBHICJAKSA-N 2 1 340.471 3.026 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CC1=CCCCC1 ZINC000947493215 1333146275 /nfs/dbraw/zinc/14/62/75/1333146275.db2.gz QNAOVXSSFZLMLE-MJGOQNOKSA-N 2 1 345.531 3.084 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CCC(C)(C)C ZINC000947494348 1333146837 /nfs/dbraw/zinc/14/68/37/1333146837.db2.gz XYNVJHCDRCIBOW-IAGOWNOFSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cncn1CC(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)[C@H](C)C1 ZINC000947548386 1333167517 /nfs/dbraw/zinc/16/75/17/1333167517.db2.gz ZBVDUUGRPHQDQP-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)[C@H](C)C1 ZINC000947548386 1333167521 /nfs/dbraw/zinc/16/75/21/1333167521.db2.gz ZBVDUUGRPHQDQP-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)[C@H](C)C1 ZINC000947548386 1333167525 /nfs/dbraw/zinc/16/75/25/1333167525.db2.gz ZBVDUUGRPHQDQP-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CC1CC(C)(C)C1 ZINC000947726533 1333241642 /nfs/dbraw/zinc/24/16/42/1333241642.db2.gz PSRCTECVUDUKBJ-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC1CC(C)(C)C1 ZINC000947726533 1333241645 /nfs/dbraw/zinc/24/16/45/1333241645.db2.gz PSRCTECVUDUKBJ-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CC1CC(C)(C)C1 ZINC000947726533 1333241648 /nfs/dbraw/zinc/24/16/48/1333241648.db2.gz PSRCTECVUDUKBJ-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947799570 1333265139 /nfs/dbraw/zinc/26/51/39/1333265139.db2.gz BMNCWIRARFHZAL-PXNSSMCTSA-N 2 1 345.531 3.377 20 0 EGADMP C[C@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1CC1CCC1 ZINC000948064408 1333361036 /nfs/dbraw/zinc/36/10/36/1333361036.db2.gz CAVUZHUNHNLNNJ-QFBILLFUSA-N 2 1 343.515 3.131 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948770396 1333671492 /nfs/dbraw/zinc/67/14/92/1333671492.db2.gz HKKDRBSDXYQROV-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000948770396 1333671496 /nfs/dbraw/zinc/67/14/96/1333671496.db2.gz HKKDRBSDXYQROV-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000948770396 1333671500 /nfs/dbraw/zinc/67/15/00/1333671500.db2.gz HKKDRBSDXYQROV-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CN(C(=O)Cc1ncc[nH]1)[C@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC000948886898 1333719367 /nfs/dbraw/zinc/71/93/67/1333719367.db2.gz SGTIFZOKBHTQFP-SFHVURJKSA-N 2 1 346.519 3.236 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](N(C)C(=O)Cc2ncc[nH]2)CC1 ZINC000948886950 1333719448 /nfs/dbraw/zinc/71/94/48/1333719448.db2.gz UOAKXEVRCLLCLD-FUHWJXTLSA-N 2 1 340.471 3.026 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC000949800815 1333926840 /nfs/dbraw/zinc/92/68/40/1333926840.db2.gz KUAGFLNQYGNXBA-FQEVSTJZSA-N 2 1 349.563 3.223 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CN(CC=C(C)C)C1 ZINC000950330423 1334043128 /nfs/dbraw/zinc/04/31/28/1334043128.db2.gz FUKYKTFFQMRAKE-GOSISDBHSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[NH+]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000950524455 1334084878 /nfs/dbraw/zinc/08/48/78/1334084878.db2.gz PWPXRSYBFHQSGP-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC)C2C[NH+](CC3CCCCC3)C2)C1 ZINC000951214237 1334210313 /nfs/dbraw/zinc/21/03/13/1334210313.db2.gz GJUHAVCYCRDCIR-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968672956 1336005107 /nfs/dbraw/zinc/00/51/07/1336005107.db2.gz HQDCOLFJDGMLBF-PXNSSMCTSA-N 2 1 345.531 3.235 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968683167 1336009513 /nfs/dbraw/zinc/00/95/13/1336009513.db2.gz ZCVGHUWBXHNVCN-FXAWDEMLSA-N 2 1 345.531 3.235 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968887868 1336080355 /nfs/dbraw/zinc/08/03/55/1336080355.db2.gz OBBBDJQKZDGTNE-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000968887868 1336080356 /nfs/dbraw/zinc/08/03/56/1336080356.db2.gz OBBBDJQKZDGTNE-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000968887868 1336080357 /nfs/dbraw/zinc/08/03/57/1336080357.db2.gz OBBBDJQKZDGTNE-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC000968904003 1336085346 /nfs/dbraw/zinc/08/53/46/1336085346.db2.gz FSCDTBZIWUMZDY-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC2CCC2)C1 ZINC000968990320 1336111675 /nfs/dbraw/zinc/11/16/75/1336111675.db2.gz ASJSXTJMXXZURN-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC2CCC2)C1 ZINC000968990320 1336111679 /nfs/dbraw/zinc/11/16/79/1336111679.db2.gz ASJSXTJMXXZURN-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC2CCC2)C1 ZINC000968990320 1336111683 /nfs/dbraw/zinc/11/16/83/1336111683.db2.gz ASJSXTJMXXZURN-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CC1 ZINC000969108547 1336146545 /nfs/dbraw/zinc/14/65/45/1336146545.db2.gz FLUCTZNGZSEZEY-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CC1 ZINC000969108547 1336146549 /nfs/dbraw/zinc/14/65/49/1336146549.db2.gz FLUCTZNGZSEZEY-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CC1 ZINC000969108547 1336146550 /nfs/dbraw/zinc/14/65/50/1336146550.db2.gz FLUCTZNGZSEZEY-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118370 1336150193 /nfs/dbraw/zinc/15/01/93/1336150193.db2.gz NETVHHPPQCIUNO-IRXDYDNUSA-N 2 1 346.519 3.168 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118370 1336150195 /nfs/dbraw/zinc/15/01/95/1336150195.db2.gz NETVHHPPQCIUNO-IRXDYDNUSA-N 2 1 346.519 3.168 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCC1 ZINC000969156572 1336166187 /nfs/dbraw/zinc/16/61/87/1336166187.db2.gz WWXYQSIPZRFPOP-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCC1 ZINC000969156572 1336166188 /nfs/dbraw/zinc/16/61/88/1336166188.db2.gz WWXYQSIPZRFPOP-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCC1 ZINC000969156572 1336166189 /nfs/dbraw/zinc/16/61/89/1336166189.db2.gz WWXYQSIPZRFPOP-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3Br)C[C@@H]1C[NH3+] ZINC001205305941 1370714768 /nfs/dbraw/zinc/71/47/68/1370714768.db2.gz UQIKKZDATNEDMB-NEPJUHHUSA-N 2 1 336.277 3.347 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC2CCCC2)C1 ZINC000969799244 1336248482 /nfs/dbraw/zinc/24/84/82/1336248482.db2.gz WBADVGJPFDYCNX-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005503133 1336363315 /nfs/dbraw/zinc/36/33/15/1336363315.db2.gz IFABQWFXJMHQJE-HKUYNNGSSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2CCCC2)CC1 ZINC001005640224 1336387115 /nfs/dbraw/zinc/38/71/15/1336387115.db2.gz OBLDXBAXNVRGLH-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001005993386 1336435594 /nfs/dbraw/zinc/43/55/94/1336435594.db2.gz ANVRLCQQGSZDNW-GOSISDBHSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CC[NH+](CC2CCCC2)CC1 ZINC001006120381 1336454841 /nfs/dbraw/zinc/45/48/41/1336454841.db2.gz QNHFUMZDFWRLTQ-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ccsc2)CC1 ZINC001006445598 1336507372 /nfs/dbraw/zinc/50/73/72/1336507372.db2.gz LJVNPXKZQJTYMX-GOSISDBHSA-N 2 1 349.544 3.045 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001007790993 1336701169 /nfs/dbraw/zinc/70/11/69/1336701169.db2.gz YCSJXNWBTCQRME-IBGZPJMESA-N 2 1 347.547 3.166 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001007799223 1336702957 /nfs/dbraw/zinc/70/29/57/1336702957.db2.gz HZRKUWAHLFZTDP-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008297155 1336817130 /nfs/dbraw/zinc/81/71/30/1336817130.db2.gz BVKZZZONDZJVRL-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008297155 1336817132 /nfs/dbraw/zinc/81/71/32/1336817132.db2.gz BVKZZZONDZJVRL-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008297155 1336817134 /nfs/dbraw/zinc/81/71/34/1336817134.db2.gz BVKZZZONDZJVRL-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2Br)CCC[C@@H]1C[NH3+] ZINC001205994083 1370933000 /nfs/dbraw/zinc/93/30/00/1370933000.db2.gz IYWXDASFQPOYOO-VXGBXAGGSA-N 2 1 329.257 3.395 20 0 EGADMP CN(C)Cc1ccoc1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001008345539 1336828769 /nfs/dbraw/zinc/82/87/69/1336828769.db2.gz UQRHJWITFWCZJA-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001008345539 1336828773 /nfs/dbraw/zinc/82/87/73/1336828773.db2.gz UQRHJWITFWCZJA-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001008345539 1336828776 /nfs/dbraw/zinc/82/87/76/1336828776.db2.gz UQRHJWITFWCZJA-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001008529238 1336876327 /nfs/dbraw/zinc/87/63/27/1336876327.db2.gz DVBZTZQOHUVQMP-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001008529238 1336876329 /nfs/dbraw/zinc/87/63/29/1336876329.db2.gz DVBZTZQOHUVQMP-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001008529238 1336876332 /nfs/dbraw/zinc/87/63/32/1336876332.db2.gz DVBZTZQOHUVQMP-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001008530310 1336876616 /nfs/dbraw/zinc/87/66/16/1336876616.db2.gz IXGVDAOIKWTWQT-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001008530310 1336876618 /nfs/dbraw/zinc/87/66/18/1336876618.db2.gz IXGVDAOIKWTWQT-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001008530310 1336876620 /nfs/dbraw/zinc/87/66/20/1336876620.db2.gz IXGVDAOIKWTWQT-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008537495 1336877308 /nfs/dbraw/zinc/87/73/08/1336877308.db2.gz DCMDHLBIBOLZBM-PXNSSMCTSA-N 2 1 345.531 3.031 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001008541584 1336877733 /nfs/dbraw/zinc/87/77/33/1336877733.db2.gz RLXKEVBCMKRHKB-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001008541584 1336877736 /nfs/dbraw/zinc/87/77/36/1336877736.db2.gz RLXKEVBCMKRHKB-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001008541584 1336877740 /nfs/dbraw/zinc/87/77/40/1336877740.db2.gz RLXKEVBCMKRHKB-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001008773617 1336924305 /nfs/dbraw/zinc/92/43/05/1336924305.db2.gz YYESRWLVUSFACS-MSOLQXFVSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccsc2)C1 ZINC001008773617 1336924309 /nfs/dbraw/zinc/92/43/09/1336924309.db2.gz YYESRWLVUSFACS-MSOLQXFVSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccsc2)C1 ZINC001008773617 1336924314 /nfs/dbraw/zinc/92/43/14/1336924314.db2.gz YYESRWLVUSFACS-MSOLQXFVSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC001008773617 1336924321 /nfs/dbraw/zinc/92/43/21/1336924321.db2.gz YYESRWLVUSFACS-MSOLQXFVSA-N 2 1 349.544 3.092 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001009168922 1336980647 /nfs/dbraw/zinc/98/06/47/1336980647.db2.gz NAWWYCWVMQRYBM-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001009168922 1336980648 /nfs/dbraw/zinc/98/06/48/1336980648.db2.gz NAWWYCWVMQRYBM-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001009637556 1337050315 /nfs/dbraw/zinc/05/03/15/1337050315.db2.gz PCMBOKLVMFGSBA-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001009637556 1337050320 /nfs/dbraw/zinc/05/03/20/1337050320.db2.gz PCMBOKLVMFGSBA-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001009637556 1337050324 /nfs/dbraw/zinc/05/03/24/1337050324.db2.gz PCMBOKLVMFGSBA-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001014608449 1337846449 /nfs/dbraw/zinc/84/64/49/1337846449.db2.gz UJXWHLJLTHNGQB-INIZCTEOSA-N 2 1 337.533 3.050 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001014608449 1337846454 /nfs/dbraw/zinc/84/64/54/1337846454.db2.gz UJXWHLJLTHNGQB-INIZCTEOSA-N 2 1 337.533 3.050 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CC[N@@H+](CCCC3CCC3)C2)ccc2c[nH+]cn21 ZINC001015034206 1337997601 /nfs/dbraw/zinc/99/76/01/1337997601.db2.gz SVAQZDJQSMDUSQ-QGZVFWFLSA-N 2 1 340.471 3.027 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001015056105 1338004239 /nfs/dbraw/zinc/00/42/39/1338004239.db2.gz GOURKUSYQLKSHS-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001015056105 1338004244 /nfs/dbraw/zinc/00/42/44/1338004244.db2.gz GOURKUSYQLKSHS-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001015056105 1338004250 /nfs/dbraw/zinc/00/42/50/1338004250.db2.gz GOURKUSYQLKSHS-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CCCC2CCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001015288431 1338085281 /nfs/dbraw/zinc/08/52/81/1338085281.db2.gz CUWHFHQQGLEMQW-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001015791683 1338312225 /nfs/dbraw/zinc/31/22/25/1338312225.db2.gz KHZMTDXAGNGLPG-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001015791683 1338312229 /nfs/dbraw/zinc/31/22/29/1338312229.db2.gz KHZMTDXAGNGLPG-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001015791683 1338312235 /nfs/dbraw/zinc/31/22/35/1338312235.db2.gz KHZMTDXAGNGLPG-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016610923 1338663079 /nfs/dbraw/zinc/66/30/79/1338663079.db2.gz AEIXYDLATSZLHZ-ROUUACIJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016611689 1338663423 /nfs/dbraw/zinc/66/34/23/1338663423.db2.gz FEDGANMCTRONSL-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CCC(C)(C)C)CC3)CC[N@H+]1C ZINC001016793316 1338728919 /nfs/dbraw/zinc/72/89/19/1338728919.db2.gz JHWDMISYJUPFCN-OKZBNKHCSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC12CC[NH+](CCCC1CCC1)CC2 ZINC001016829638 1338739689 /nfs/dbraw/zinc/73/96/89/1338739689.db2.gz MHXNUAGTHQVAEV-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH+](C)CC3CCCCC3)C2)CC[N@H+]1C ZINC001017133593 1338887055 /nfs/dbraw/zinc/88/70/55/1338887055.db2.gz SZUOGQGWAQFSQU-MISYRCLQSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[N@H+](C)CC3CCCCC3)C2)CC[NH+]1C ZINC001017133593 1338887060 /nfs/dbraw/zinc/88/70/60/1338887060.db2.gz SZUOGQGWAQFSQU-MISYRCLQSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[N@@H+](C)CC3CCCCC3)C2)CC[NH+]1C ZINC001017133593 1338887065 /nfs/dbraw/zinc/88/70/65/1338887065.db2.gz SZUOGQGWAQFSQU-MISYRCLQSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1=CCCCC1 ZINC001028181018 1340470753 /nfs/dbraw/zinc/47/07/53/1340470753.db2.gz LVUQHUTWTIVAMX-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001028181018 1340470755 /nfs/dbraw/zinc/47/07/55/1340470755.db2.gz LVUQHUTWTIVAMX-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001028181018 1340470756 /nfs/dbraw/zinc/47/07/56/1340470756.db2.gz LVUQHUTWTIVAMX-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP O=C(NC[C@@H]1CC[N@@H+](CC2CCC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028756055 1340791985 /nfs/dbraw/zinc/79/19/85/1340791985.db2.gz ZTDYNBQMGVHABO-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CC[NH+](CC2CCC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028756055 1340791987 /nfs/dbraw/zinc/79/19/87/1340791987.db2.gz ZTDYNBQMGVHABO-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CC[NH+](CC2CCC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028756055 1340791988 /nfs/dbraw/zinc/79/19/88/1340791988.db2.gz ZTDYNBQMGVHABO-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870278 1340870551 /nfs/dbraw/zinc/87/05/51/1340870551.db2.gz NRCVFVLKGQLQEH-LJQANCHMSA-N 2 1 345.531 3.236 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H](C)[NH2+]CC3CCCC3)CC2)CC[N@H+]1C ZINC001029100710 1340929980 /nfs/dbraw/zinc/92/99/80/1340929980.db2.gz CXACCBFBUGMVSB-FFZOFVMBSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001029108868 1340931988 /nfs/dbraw/zinc/93/19/88/1340931988.db2.gz UEGSELAGRRRIGI-INIZCTEOSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001029145951 1340942639 /nfs/dbraw/zinc/94/26/39/1340942639.db2.gz FUEUSSPYHOQEEB-ZWKOTPCHSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)C1 ZINC001029336715 1340973804 /nfs/dbraw/zinc/97/38/04/1340973804.db2.gz WUMUHLGPRPEYFD-QRVBRYPASA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)C1 ZINC001029336715 1340973805 /nfs/dbraw/zinc/97/38/05/1340973805.db2.gz WUMUHLGPRPEYFD-QRVBRYPASA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)C1 ZINC001029336715 1340973806 /nfs/dbraw/zinc/97/38/06/1340973806.db2.gz WUMUHLGPRPEYFD-QRVBRYPASA-N 2 1 349.563 3.076 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001029360259 1340977253 /nfs/dbraw/zinc/97/72/53/1340977253.db2.gz YTLDLMVUDKGKDZ-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001029360259 1340977254 /nfs/dbraw/zinc/97/72/54/1340977254.db2.gz YTLDLMVUDKGKDZ-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1 ZINC001029360259 1340977255 /nfs/dbraw/zinc/97/72/55/1340977255.db2.gz YTLDLMVUDKGKDZ-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001029767542 1341066925 /nfs/dbraw/zinc/06/69/25/1341066925.db2.gz UBWGUTKYOURJRL-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C[N@@H+](C)CC2CCCC2)CC1 ZINC001030014914 1341158519 /nfs/dbraw/zinc/15/85/19/1341158519.db2.gz TYCVCUJOIXITRH-ROUUACIJSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)c1ccccc1 ZINC001030020721 1341159794 /nfs/dbraw/zinc/15/97/94/1341159794.db2.gz PBSBJXVPZXOAMF-ZULIPRJHSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1C[NH+](CCC2CCCCC2)C1 ZINC001030441618 1341187817 /nfs/dbraw/zinc/18/78/17/1341187817.db2.gz CFKBFBJVCNKFGX-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP O=C(NC1C[NH+](CCC2=CCCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001030442920 1341187877 /nfs/dbraw/zinc/18/78/77/1341187877.db2.gz IBSWNKVSUQYFGM-HXUWFJFHSA-N 2 1 345.531 3.084 20 0 EGADMP O=C(NC1C[NH+](CCC2=CCCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001030442920 1341187878 /nfs/dbraw/zinc/18/78/78/1341187878.db2.gz IBSWNKVSUQYFGM-HXUWFJFHSA-N 2 1 345.531 3.084 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030444767 1341188006 /nfs/dbraw/zinc/18/80/06/1341188006.db2.gz MTXAINKENHWSBR-PMACEKPBSA-N 2 1 343.515 3.201 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001030444767 1341188007 /nfs/dbraw/zinc/18/80/07/1341188007.db2.gz MTXAINKENHWSBR-PMACEKPBSA-N 2 1 343.515 3.201 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2C[NH+](CCC3CCCCCC3)C2)C1 ZINC001030823386 1341230651 /nfs/dbraw/zinc/23/06/51/1341230651.db2.gz AHFVAIUHCAKQEM-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+]1CCC[C@H](C(=O)NC2C[NH+]([C@H](CC)c3ccccc3)C2)C1 ZINC001030826137 1341231514 /nfs/dbraw/zinc/23/15/14/1341231514.db2.gz VOQVWGNYXJRSIT-AZUAARDMSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2C[NH+]([C@H](CC)c3ccccc3)C2)C1 ZINC001030826137 1341231516 /nfs/dbraw/zinc/23/15/16/1341231516.db2.gz VOQVWGNYXJRSIT-AZUAARDMSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCC2CCCCC2)C1 ZINC001031050197 1341269979 /nfs/dbraw/zinc/26/99/79/1341269979.db2.gz DSZBAKRBYADXCV-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCC2CCCCC2)C1 ZINC001031050197 1341269981 /nfs/dbraw/zinc/26/99/81/1341269981.db2.gz DSZBAKRBYADXCV-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033466918 1341837751 /nfs/dbraw/zinc/83/77/51/1341837751.db2.gz JBGZEJOJZWPQEV-IEBWSBKVSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001033552263 1341867761 /nfs/dbraw/zinc/86/77/61/1341867761.db2.gz UZSPAUFQKKOWNK-FQEVSTJZSA-N 2 1 347.547 3.140 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CCC3CC3)C2)o1 ZINC001033696945 1341963290 /nfs/dbraw/zinc/96/32/90/1341963290.db2.gz ADVQAGZOEHWFGN-KRWDZBQOSA-N 2 1 347.503 3.068 20 0 EGADMP CCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001033837640 1342035947 /nfs/dbraw/zinc/03/59/47/1342035947.db2.gz TXUVCWHJRXZPMB-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001033837640 1342035951 /nfs/dbraw/zinc/03/59/51/1342035951.db2.gz TXUVCWHJRXZPMB-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001033837640 1342035953 /nfs/dbraw/zinc/03/59/53/1342035953.db2.gz TXUVCWHJRXZPMB-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033935870 1342098616 /nfs/dbraw/zinc/09/86/16/1342098616.db2.gz JWZQZAYPOTUZAW-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033935870 1342098620 /nfs/dbraw/zinc/09/86/20/1342098620.db2.gz JWZQZAYPOTUZAW-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033935870 1342098624 /nfs/dbraw/zinc/09/86/24/1342098624.db2.gz JWZQZAYPOTUZAW-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001034005110 1342142365 /nfs/dbraw/zinc/14/23/65/1342142365.db2.gz RNSDEKBHCKGATG-QLOJAFMTSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034204495 1342315442 /nfs/dbraw/zinc/31/54/42/1342315442.db2.gz MZTYDGNGOSVNSV-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC001034204495 1342315446 /nfs/dbraw/zinc/31/54/46/1342315446.db2.gz MZTYDGNGOSVNSV-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC(C)(C)C)C1 ZINC001034204495 1342315447 /nfs/dbraw/zinc/31/54/47/1342315447.db2.gz MZTYDGNGOSVNSV-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034241283 1342341574 /nfs/dbraw/zinc/34/15/74/1342341574.db2.gz XGOMOSOPWFGXQK-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccsc2)C1 ZINC001034241283 1342341577 /nfs/dbraw/zinc/34/15/77/1342341577.db2.gz XGOMOSOPWFGXQK-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccsc2)C1 ZINC001034241283 1342341581 /nfs/dbraw/zinc/34/15/81/1342341581.db2.gz XGOMOSOPWFGXQK-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034251025 1342347502 /nfs/dbraw/zinc/34/75/02/1342347502.db2.gz UZJCDQUDMVUJTE-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034251025 1342347507 /nfs/dbraw/zinc/34/75/07/1342347507.db2.gz UZJCDQUDMVUJTE-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034251025 1342347509 /nfs/dbraw/zinc/34/75/09/1342347509.db2.gz UZJCDQUDMVUJTE-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP O=C(N[C@H]1CCCC[N@@H+](CC2=CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001034291578 1342376971 /nfs/dbraw/zinc/37/69/71/1342376971.db2.gz ZYPPNRGTOGGPFM-IBGZPJMESA-N 2 1 345.531 3.086 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034308391 1342391784 /nfs/dbraw/zinc/39/17/84/1342391784.db2.gz AXSCTCLXSQGCTP-SFHVURJKSA-N 2 1 342.487 3.355 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1)[NH+]1CCCC1 ZINC001034340327 1342413158 /nfs/dbraw/zinc/41/31/58/1342413158.db2.gz NOLQARUWUFIBHW-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034426819 1342489211 /nfs/dbraw/zinc/48/92/11/1342489211.db2.gz OZCWWPXSPQZQLR-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034426819 1342489214 /nfs/dbraw/zinc/48/92/14/1342489214.db2.gz OZCWWPXSPQZQLR-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](C/C=C/Cl)C2)cc1 ZINC001034444726 1342504914 /nfs/dbraw/zinc/50/49/14/1342504914.db2.gz KNEKAOQDENXIIU-CZIMKVFHSA-N 2 1 349.906 3.085 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034538138 1342594503 /nfs/dbraw/zinc/59/45/03/1342594503.db2.gz JCMRDWXZCGSEFD-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccsc2)C1 ZINC001034538138 1342594508 /nfs/dbraw/zinc/59/45/08/1342594508.db2.gz JCMRDWXZCGSEFD-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccsc2)C1 ZINC001034538138 1342594511 /nfs/dbraw/zinc/59/45/11/1342594511.db2.gz JCMRDWXZCGSEFD-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538439 1342596748 /nfs/dbraw/zinc/59/67/48/1342596748.db2.gz STHBEXDERJATDR-LJQANCHMSA-N 2 1 331.504 3.133 20 0 EGADMP CC[C@H](F)C[N@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034544971 1342605795 /nfs/dbraw/zinc/60/57/95/1342605795.db2.gz WROOLLIROGDNRI-ROUUACIJSA-N 2 1 349.494 3.081 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC001034607116 1342645048 /nfs/dbraw/zinc/64/50/48/1342645048.db2.gz LDRDYKWEUYXEDE-UAFMIMERSA-N 2 1 343.515 3.249 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001034607102 1342645229 /nfs/dbraw/zinc/64/52/29/1342645229.db2.gz KVTMBHISRMYLHL-FHWLQOOXSA-N 2 1 347.547 3.068 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1 ZINC001034692790 1342695596 /nfs/dbraw/zinc/69/55/96/1342695596.db2.gz PNSJMILVMHSZMX-WGSAOQKQSA-N 2 1 344.503 3.099 20 0 EGADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001034938228 1342844407 /nfs/dbraw/zinc/84/44/07/1342844407.db2.gz JWUXWGLTWBPRHX-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001035071226 1342911744 /nfs/dbraw/zinc/91/17/44/1342911744.db2.gz RBKUJECRYPVPKV-QZTJIDSGSA-N 2 1 349.544 3.092 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001035257052 1343082990 /nfs/dbraw/zinc/08/29/90/1343082990.db2.gz RLZILHLGKFSWNA-LJQANCHMSA-N 2 1 349.563 3.223 20 0 EGADMP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035810210 1343210072 /nfs/dbraw/zinc/21/00/72/1343210072.db2.gz JSNFHFGHCHUQFF-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035810598 1343210182 /nfs/dbraw/zinc/21/01/82/1343210182.db2.gz OVSHDFZUYAYVGU-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)CC2 ZINC001035858187 1343234403 /nfs/dbraw/zinc/23/44/03/1343234403.db2.gz PWZMYDQGUKIHJO-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001037862904 1344147166 /nfs/dbraw/zinc/14/71/66/1344147166.db2.gz WMOBCLFYZHSRCF-AZUAARDMSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1[NH2+]CCC1CC1 ZINC001037925148 1344184974 /nfs/dbraw/zinc/18/49/74/1344184974.db2.gz IOAUJVHTPTUORF-MSOLQXFVSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2CC2CCCCCC2)C1 ZINC001038341252 1344388411 /nfs/dbraw/zinc/38/84/11/1344388411.db2.gz QFUSTAJDOVLRLX-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CC2CCCCCC2)C1 ZINC001038341252 1344388414 /nfs/dbraw/zinc/38/84/14/1344388414.db2.gz QFUSTAJDOVLRLX-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2CC2CCCCCC2)C1 ZINC001038341252 1344388418 /nfs/dbraw/zinc/38/84/18/1344388418.db2.gz QFUSTAJDOVLRLX-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001038448554 1344431074 /nfs/dbraw/zinc/43/10/74/1344431074.db2.gz JAIFFMLXOVEHBW-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001038448554 1344431079 /nfs/dbraw/zinc/43/10/79/1344431079.db2.gz JAIFFMLXOVEHBW-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001038448554 1344431084 /nfs/dbraw/zinc/43/10/84/1344431084.db2.gz JAIFFMLXOVEHBW-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CCC1=CCCCC1)c1ccn2c[nH+]cc2c1 ZINC001038462890 1344435219 /nfs/dbraw/zinc/43/52/19/1344435219.db2.gz POUOFJYZYJSCOL-GOSISDBHSA-N 2 1 338.455 3.029 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCC2=CCCCC2)C1 ZINC001038625881 1344510051 /nfs/dbraw/zinc/51/00/51/1344510051.db2.gz SMJHIDOTHOCAKS-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCC2=CCCCC2)C1 ZINC001038625881 1344510052 /nfs/dbraw/zinc/51/00/52/1344510052.db2.gz SMJHIDOTHOCAKS-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCC2=CCCCC2)C1 ZINC001038625881 1344510053 /nfs/dbraw/zinc/51/00/53/1344510053.db2.gz SMJHIDOTHOCAKS-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001039075041 1344756893 /nfs/dbraw/zinc/75/68/93/1344756893.db2.gz XQDMZUVLDKKIBU-QGZVFWFLSA-N 2 1 349.519 3.362 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039166477 1344851662 /nfs/dbraw/zinc/85/16/62/1344851662.db2.gz ZAZOWBFRYWBGSZ-ICSRJNTNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039166477 1344851667 /nfs/dbraw/zinc/85/16/67/1344851667.db2.gz ZAZOWBFRYWBGSZ-ICSRJNTNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039166477 1344851672 /nfs/dbraw/zinc/85/16/72/1344851672.db2.gz ZAZOWBFRYWBGSZ-ICSRJNTNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039220392 1344937763 /nfs/dbraw/zinc/93/77/63/1344937763.db2.gz YZHIYVJMYYAOFP-IEBWSBKVSA-N 2 1 340.471 3.059 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@@H+](C(C)C)C1 ZINC001039235040 1344955571 /nfs/dbraw/zinc/95/55/71/1344955571.db2.gz MYLCADOGPYXLEZ-ZWKOTPCHSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](C(C)C)C1 ZINC001039235040 1344955576 /nfs/dbraw/zinc/95/55/76/1344955576.db2.gz MYLCADOGPYXLEZ-ZWKOTPCHSA-N 2 1 346.519 3.118 20 0 EGADMP CCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235316 1344956096 /nfs/dbraw/zinc/95/60/96/1344956096.db2.gz WFTKGWOFKKDLSU-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039235316 1344956097 /nfs/dbraw/zinc/95/60/97/1344956097.db2.gz WFTKGWOFKKDLSU-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039235316 1344956102 /nfs/dbraw/zinc/95/61/02/1344956102.db2.gz WFTKGWOFKKDLSU-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241749 1344967059 /nfs/dbraw/zinc/96/70/59/1344967059.db2.gz IBEJKDXEFGNFDL-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001039447606 1345072291 /nfs/dbraw/zinc/07/22/91/1345072291.db2.gz UQRDEVZVONJMBW-MSOLQXFVSA-N 2 1 346.519 3.262 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001039447606 1345072293 /nfs/dbraw/zinc/07/22/93/1345072293.db2.gz UQRDEVZVONJMBW-MSOLQXFVSA-N 2 1 346.519 3.262 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCC1 ZINC001039643779 1345152610 /nfs/dbraw/zinc/15/26/10/1345152610.db2.gz BBZYHHCEHNTXHH-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001039643779 1345152613 /nfs/dbraw/zinc/15/26/13/1345152613.db2.gz BBZYHHCEHNTXHH-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001039643779 1345152615 /nfs/dbraw/zinc/15/26/15/1345152615.db2.gz BBZYHHCEHNTXHH-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3C[C@@H](C)CC)C1 ZINC001039861132 1345217147 /nfs/dbraw/zinc/21/71/47/1345217147.db2.gz XMRBIORCVVOPSK-LWYYNNOASA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C[C@@H](C)CC)C1 ZINC001039861132 1345217152 /nfs/dbraw/zinc/21/71/52/1345217152.db2.gz XMRBIORCVVOPSK-LWYYNNOASA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C[C@@H](C)CC)C1 ZINC001039861132 1345217155 /nfs/dbraw/zinc/21/71/55/1345217155.db2.gz XMRBIORCVVOPSK-LWYYNNOASA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCC1 ZINC001039937846 1345252053 /nfs/dbraw/zinc/25/20/53/1345252053.db2.gz HCEMCBXHLCPGFN-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001039937846 1345252055 /nfs/dbraw/zinc/25/20/55/1345252055.db2.gz HCEMCBXHLCPGFN-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001039937846 1345252060 /nfs/dbraw/zinc/25/20/60/1345252060.db2.gz HCEMCBXHLCPGFN-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC(C)C)C2 ZINC001040232179 1345386728 /nfs/dbraw/zinc/38/67/28/1345386728.db2.gz OIEFGMIZUSFYPI-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC(C)C)C2 ZINC001040232179 1345386733 /nfs/dbraw/zinc/38/67/33/1345386733.db2.gz OIEFGMIZUSFYPI-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC(C)C)C2 ZINC001040232179 1345386736 /nfs/dbraw/zinc/38/67/36/1345386736.db2.gz OIEFGMIZUSFYPI-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001040270291 1345404840 /nfs/dbraw/zinc/40/48/40/1345404840.db2.gz GQTFYZQBNYFNPK-OAQYLSRUSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001040270291 1345404841 /nfs/dbraw/zinc/40/48/41/1345404841.db2.gz GQTFYZQBNYFNPK-OAQYLSRUSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001040270291 1345404844 /nfs/dbraw/zinc/40/48/44/1345404844.db2.gz GQTFYZQBNYFNPK-OAQYLSRUSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040387614 1345471151 /nfs/dbraw/zinc/47/11/51/1345471151.db2.gz DTVSYLBLSNMGRS-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001040387614 1345471153 /nfs/dbraw/zinc/47/11/53/1345471153.db2.gz DTVSYLBLSNMGRS-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001040387614 1345471155 /nfs/dbraw/zinc/47/11/55/1345471155.db2.gz DTVSYLBLSNMGRS-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1=CCCCC1)C2)[NH+](C)C ZINC001040400376 1345477170 /nfs/dbraw/zinc/47/71/70/1345477170.db2.gz UFJFBNXURRTFRN-PZJWPPBQSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCC(C)C)CC2 ZINC001040722942 1345570972 /nfs/dbraw/zinc/57/09/72/1345570972.db2.gz GPTDCRYEYWEFJA-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041275524 1345691893 /nfs/dbraw/zinc/69/18/93/1345691893.db2.gz DYNWEHCRHJUSHV-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041275524 1345691894 /nfs/dbraw/zinc/69/18/94/1345691894.db2.gz DYNWEHCRHJUSHV-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041275524 1345691897 /nfs/dbraw/zinc/69/18/97/1345691897.db2.gz DYNWEHCRHJUSHV-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041285968 1345694548 /nfs/dbraw/zinc/69/45/48/1345694548.db2.gz ILEUHPXXGJBKNC-NRFANRHFSA-N 2 1 347.547 3.142 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041373875 1345711384 /nfs/dbraw/zinc/71/13/84/1345711384.db2.gz YPJXNPMYWDREKD-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001041373875 1345711393 /nfs/dbraw/zinc/71/13/93/1345711393.db2.gz YPJXNPMYWDREKD-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001041373875 1345711398 /nfs/dbraw/zinc/71/13/98/1345711398.db2.gz YPJXNPMYWDREKD-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CCC3=CCCCC3)C2)C1)[NH+](C)C ZINC001041404490 1345719131 /nfs/dbraw/zinc/71/91/31/1345719131.db2.gz UHWSKERSOIHNCK-CTNGQTDRSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041590166 1345784569 /nfs/dbraw/zinc/78/45/69/1345784569.db2.gz OMQCYZKVRNXPIL-CTNGQTDRSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041590166 1345784573 /nfs/dbraw/zinc/78/45/73/1345784573.db2.gz OMQCYZKVRNXPIL-CTNGQTDRSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001041590166 1345784577 /nfs/dbraw/zinc/78/45/77/1345784577.db2.gz OMQCYZKVRNXPIL-CTNGQTDRSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041722864 1345832265 /nfs/dbraw/zinc/83/22/65/1345832265.db2.gz BSNBRJVVBYEAKD-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041722864 1345832266 /nfs/dbraw/zinc/83/22/66/1345832266.db2.gz BSNBRJVVBYEAKD-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041722864 1345832267 /nfs/dbraw/zinc/83/22/67/1345832267.db2.gz BSNBRJVVBYEAKD-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041767612 1345843399 /nfs/dbraw/zinc/84/33/99/1345843399.db2.gz JUFZUNAUZXVERY-NRFANRHFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001042725131 1346110429 /nfs/dbraw/zinc/11/04/29/1346110429.db2.gz LPWVJPLKVVPIEA-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CCC[C@H](CC[NH+]2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001043884903 1346218835 /nfs/dbraw/zinc/21/88/35/1346218835.db2.gz GYDQXZLLMRYMGB-ZWKOTPCHSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCC[C@H](CC[NH+]2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001043884903 1346218836 /nfs/dbraw/zinc/21/88/36/1346218836.db2.gz GYDQXZLLMRYMGB-ZWKOTPCHSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1C[NH+](CC2CCCCCC2)C1 ZINC001044034161 1346237525 /nfs/dbraw/zinc/23/75/25/1346237525.db2.gz GIKBEXFAIKFQHS-ICSRJNTNSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001044330366 1346300976 /nfs/dbraw/zinc/30/09/76/1346300976.db2.gz ZZLFQYFEBVEVFT-CALCHBBNSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001044337270 1346301795 /nfs/dbraw/zinc/30/17/95/1346301795.db2.gz OFEYXUCYJUXONE-VQTJNVASSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001044337270 1346301796 /nfs/dbraw/zinc/30/17/96/1346301796.db2.gz OFEYXUCYJUXONE-VQTJNVASSA-N 2 1 343.515 3.155 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C[C@H]1C ZINC001044865067 1346449265 /nfs/dbraw/zinc/44/92/65/1346449265.db2.gz NDBISAQNFRSQLV-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001045390141 1346580843 /nfs/dbraw/zinc/58/08/43/1346580843.db2.gz ORVNDXCNNRCYBH-OALUTQOASA-N 2 1 343.515 3.203 20 0 EGADMP CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001045441881 1346594652 /nfs/dbraw/zinc/59/46/52/1346594652.db2.gz LGEIEVRIAUTLJX-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001045529749 1346618784 /nfs/dbraw/zinc/61/87/84/1346618784.db2.gz XWKDBHCXVHERDO-MJGOQNOKSA-N 2 1 343.515 3.203 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943346 1346779147 /nfs/dbraw/zinc/77/91/47/1346779147.db2.gz IILQJKWWDDYHMW-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943467 1346779313 /nfs/dbraw/zinc/77/93/13/1346779313.db2.gz IWOSMCTXPSFHGX-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001045943467 1346779316 /nfs/dbraw/zinc/77/93/16/1346779316.db2.gz IWOSMCTXPSFHGX-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001045943467 1346779320 /nfs/dbraw/zinc/77/93/20/1346779320.db2.gz IWOSMCTXPSFHGX-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045965865 1346801430 /nfs/dbraw/zinc/80/14/30/1346801430.db2.gz WSELGMAUQCSOCG-CTNGQTDRSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001045974065 1346810362 /nfs/dbraw/zinc/81/03/62/1346810362.db2.gz XFBACPBGZZOGNG-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001046198582 1346886394 /nfs/dbraw/zinc/88/63/94/1346886394.db2.gz VXXNXUPKTCNNBA-QUCCMNQESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CCC2CCCCCC2)C1 ZINC001046198582 1346886396 /nfs/dbraw/zinc/88/63/96/1346886396.db2.gz VXXNXUPKTCNNBA-QUCCMNQESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCC2CCCCCC2)C1 ZINC001046198582 1346886397 /nfs/dbraw/zinc/88/63/97/1346886397.db2.gz VXXNXUPKTCNNBA-QUCCMNQESA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001046315630 1346931190 /nfs/dbraw/zinc/93/11/90/1346931190.db2.gz KQEQDYMKMFIYOP-AZUAARDMSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001046315630 1346931193 /nfs/dbraw/zinc/93/11/93/1346931193.db2.gz KQEQDYMKMFIYOP-AZUAARDMSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001046315630 1346931195 /nfs/dbraw/zinc/93/11/95/1346931195.db2.gz KQEQDYMKMFIYOP-AZUAARDMSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCC2CCCCC2)C1 ZINC001046316729 1346932020 /nfs/dbraw/zinc/93/20/20/1346932020.db2.gz QGZOMOVLKALRSR-PZJWPPBQSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCC2CCCCC2)C1 ZINC001046316729 1346932022 /nfs/dbraw/zinc/93/20/22/1346932022.db2.gz QGZOMOVLKALRSR-PZJWPPBQSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCC2CCCCC2)C1 ZINC001046316729 1346932023 /nfs/dbraw/zinc/93/20/23/1346932023.db2.gz QGZOMOVLKALRSR-PZJWPPBQSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319829 1346933555 /nfs/dbraw/zinc/93/35/55/1346933555.db2.gz XCMRJTAJGNEMDM-RXVVDRJESA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319829 1346933557 /nfs/dbraw/zinc/93/35/57/1346933557.db2.gz XCMRJTAJGNEMDM-RXVVDRJESA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319829 1346933558 /nfs/dbraw/zinc/93/35/58/1346933558.db2.gz XCMRJTAJGNEMDM-RXVVDRJESA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001046556623 1347015797 /nfs/dbraw/zinc/01/57/97/1347015797.db2.gz JVHVYYATLKBVFW-PZJWPPBQSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCC2CCCCCC2)C1 ZINC001046556623 1347015799 /nfs/dbraw/zinc/01/57/99/1347015799.db2.gz JVHVYYATLKBVFW-PZJWPPBQSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCC2CCCCCC2)C1 ZINC001046556623 1347015801 /nfs/dbraw/zinc/01/58/01/1347015801.db2.gz JVHVYYATLKBVFW-PZJWPPBQSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCC2CCCCC2)C1 ZINC001046558660 1347016111 /nfs/dbraw/zinc/01/61/11/1347016111.db2.gz UPAFXGJGAVHXOS-ICSRJNTNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCC2CCCCC2)C1 ZINC001046558660 1347016112 /nfs/dbraw/zinc/01/61/12/1347016112.db2.gz UPAFXGJGAVHXOS-ICSRJNTNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCC2CCCCC2)C1 ZINC001046558660 1347016115 /nfs/dbraw/zinc/01/61/15/1347016115.db2.gz UPAFXGJGAVHXOS-ICSRJNTNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CC3CCCC3)C2)cc1 ZINC001046707805 1347068992 /nfs/dbraw/zinc/06/89/92/1347068992.db2.gz XFWFCAAKECAZQU-NRFANRHFSA-N 2 1 343.515 3.133 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CCC3CC3)C2)o1 ZINC001046864980 1347137357 /nfs/dbraw/zinc/13/73/57/1347137357.db2.gz ZDZSCTPEFZYBEX-HXUWFJFHSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047240945 1347266970 /nfs/dbraw/zinc/26/69/70/1347266970.db2.gz LVGOWAOEUWUDCC-WOJBJXKFSA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047263310 1347284550 /nfs/dbraw/zinc/28/45/50/1347284550.db2.gz GASNNXSCCPAVSM-AZUAARDMSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC001047863393 1347393239 /nfs/dbraw/zinc/39/32/39/1347393239.db2.gz CUXVOGSSWNOSSX-AEFFLSMTSA-N 2 1 346.519 3.139 20 0 EGADMP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047971202 1347429350 /nfs/dbraw/zinc/42/93/50/1347429350.db2.gz CIEUWWRGFDJDNG-MJGOQNOKSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CC1CCCCCC1 ZINC001048282329 1347509462 /nfs/dbraw/zinc/50/94/62/1347509462.db2.gz ZXKGNOSPVISHLE-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048532060 1347581209 /nfs/dbraw/zinc/58/12/09/1347581209.db2.gz QELNEERRHSLULB-YSTOQKLRSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001048532060 1347581212 /nfs/dbraw/zinc/58/12/12/1347581212.db2.gz QELNEERRHSLULB-YSTOQKLRSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001048532060 1347581214 /nfs/dbraw/zinc/58/12/14/1347581214.db2.gz QELNEERRHSLULB-YSTOQKLRSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)C2 ZINC001048538213 1347583553 /nfs/dbraw/zinc/58/35/53/1347583553.db2.gz MONXXPZNJKYQNS-KNJMJIDISA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[N@@H+]31)C2 ZINC001048538213 1347583554 /nfs/dbraw/zinc/58/35/54/1347583554.db2.gz MONXXPZNJKYQNS-KNJMJIDISA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)C2 ZINC001048538213 1347583556 /nfs/dbraw/zinc/58/35/56/1347583556.db2.gz MONXXPZNJKYQNS-KNJMJIDISA-N 2 1 347.547 3.019 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001048543165 1347585132 /nfs/dbraw/zinc/58/51/32/1347585132.db2.gz PLHZLAMIKKRXLE-VBUUOAMHSA-N 2 1 340.471 3.107 20 0 EGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001048572461 1347598862 /nfs/dbraw/zinc/59/88/62/1347598862.db2.gz IXVSKYOJNFQMLA-FCGDIQPGSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001048572461 1347598863 /nfs/dbraw/zinc/59/88/63/1347598863.db2.gz IXVSKYOJNFQMLA-FCGDIQPGSA-N 2 1 335.536 3.017 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482467 1347870177 /nfs/dbraw/zinc/87/01/77/1347870177.db2.gz NKXLVBMAQIACMH-YRPNKDGESA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001049482467 1347870180 /nfs/dbraw/zinc/87/01/80/1347870180.db2.gz NKXLVBMAQIACMH-YRPNKDGESA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049482467 1347870183 /nfs/dbraw/zinc/87/01/83/1347870183.db2.gz NKXLVBMAQIACMH-YRPNKDGESA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC1CC1 ZINC001049526171 1347892127 /nfs/dbraw/zinc/89/21/27/1347892127.db2.gz UAPATHNOBHXKJN-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CC1 ZINC001049526171 1347892129 /nfs/dbraw/zinc/89/21/29/1347892129.db2.gz UAPATHNOBHXKJN-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CC1 ZINC001049526171 1347892130 /nfs/dbraw/zinc/89/21/30/1347892130.db2.gz UAPATHNOBHXKJN-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001049663762 1347963357 /nfs/dbraw/zinc/96/33/57/1347963357.db2.gz NDDDFJJDSHRNBX-XUVXKRRUSA-N 2 1 347.547 3.259 20 0 EGADMP CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001049663762 1347963358 /nfs/dbraw/zinc/96/33/58/1347963358.db2.gz NDDDFJJDSHRNBX-XUVXKRRUSA-N 2 1 347.547 3.259 20 0 EGADMP CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001049663762 1347963359 /nfs/dbraw/zinc/96/33/59/1347963359.db2.gz NDDDFJJDSHRNBX-XUVXKRRUSA-N 2 1 347.547 3.259 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCCC1 ZINC001049723817 1347990816 /nfs/dbraw/zinc/99/08/16/1347990816.db2.gz OZIWKRYADJVBHC-MISYRCLQSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCCC1 ZINC001049723817 1347990819 /nfs/dbraw/zinc/99/08/19/1347990819.db2.gz OZIWKRYADJVBHC-MISYRCLQSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCCC1 ZINC001049723817 1347990821 /nfs/dbraw/zinc/99/08/21/1347990821.db2.gz OZIWKRYADJVBHC-MISYRCLQSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CCCCC1)[NH+](C)C ZINC001049726664 1347991136 /nfs/dbraw/zinc/99/11/36/1347991136.db2.gz GGXPOPZCZZXZJC-SLFFLAALSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049787096 1348021875 /nfs/dbraw/zinc/02/18/75/1348021875.db2.gz DZTGTTXQPRJQDM-UXHICEINSA-N 2 1 343.515 3.227 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21)[NH+](C)C ZINC001050075548 1348174261 /nfs/dbraw/zinc/17/42/61/1348174261.db2.gz JWNATXWSEGXQKK-XUVXKRRUSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001050343754 1348232736 /nfs/dbraw/zinc/23/27/36/1348232736.db2.gz GIGUSXBFMDVTGP-WGSAOQKQSA-N 2 1 346.519 3.036 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(C)C)CC2 ZINC001050728195 1348339498 /nfs/dbraw/zinc/33/94/98/1348339498.db2.gz ODEXJHFLQAQFHD-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052369828 1348533925 /nfs/dbraw/zinc/53/39/25/1348533925.db2.gz VVAONPCMOJBIPT-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001052369828 1348533927 /nfs/dbraw/zinc/53/39/27/1348533927.db2.gz VVAONPCMOJBIPT-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001052369828 1348533929 /nfs/dbraw/zinc/53/39/29/1348533929.db2.gz VVAONPCMOJBIPT-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052447031 1348543651 /nfs/dbraw/zinc/54/36/51/1348543651.db2.gz VVIOPJYBHKKEHO-RTBURBONSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447031 1348543652 /nfs/dbraw/zinc/54/36/52/1348543652.db2.gz VVIOPJYBHKKEHO-RTBURBONSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447031 1348543656 /nfs/dbraw/zinc/54/36/56/1348543656.db2.gz VVIOPJYBHKKEHO-RTBURBONSA-N 2 1 335.536 3.186 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052499217 1348559578 /nfs/dbraw/zinc/55/95/78/1348559578.db2.gz QHYRQGQUWHSZFU-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001052499217 1348559581 /nfs/dbraw/zinc/55/95/81/1348559581.db2.gz QHYRQGQUWHSZFU-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001052499217 1348559583 /nfs/dbraw/zinc/55/95/83/1348559583.db2.gz QHYRQGQUWHSZFU-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052506842 1348561556 /nfs/dbraw/zinc/56/15/56/1348561556.db2.gz MRUHDZJURKZZSA-WBVHZDCISA-N 2 1 342.487 3.273 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515296 1348563771 /nfs/dbraw/zinc/56/37/71/1348563771.db2.gz CSZRPQITAQGNMS-MOPGFXCFSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515296 1348563772 /nfs/dbraw/zinc/56/37/72/1348563772.db2.gz CSZRPQITAQGNMS-MOPGFXCFSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515296 1348563775 /nfs/dbraw/zinc/56/37/75/1348563775.db2.gz CSZRPQITAQGNMS-MOPGFXCFSA-N 2 1 335.536 3.044 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052590537 1348588779 /nfs/dbraw/zinc/58/87/79/1348588779.db2.gz CINAYNQOPQZETH-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1)[NH+]1CCCC1 ZINC001052620705 1348597965 /nfs/dbraw/zinc/59/79/65/1348597965.db2.gz RVGANVIZQLKQOA-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052716304 1348646149 /nfs/dbraw/zinc/64/61/49/1348646149.db2.gz LHAHWFJBCQVDAU-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001052716304 1348646154 /nfs/dbraw/zinc/64/61/54/1348646154.db2.gz LHAHWFJBCQVDAU-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001052716304 1348646157 /nfs/dbraw/zinc/64/61/57/1348646157.db2.gz LHAHWFJBCQVDAU-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCC3CCCC3)CC2)CC1 ZINC001052821366 1348690163 /nfs/dbraw/zinc/69/01/63/1348690163.db2.gz YJDDJFPBNFSTGO-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC001052859591 1348705152 /nfs/dbraw/zinc/70/51/52/1348705152.db2.gz MZNJHIHOFBXVKS-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC001052859591 1348705153 /nfs/dbraw/zinc/70/51/53/1348705153.db2.gz MZNJHIHOFBXVKS-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC001052859591 1348705156 /nfs/dbraw/zinc/70/51/56/1348705156.db2.gz MZNJHIHOFBXVKS-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052955407 1348769635 /nfs/dbraw/zinc/76/96/35/1348769635.db2.gz FMZMCWWMKAKFTI-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001052955407 1348769639 /nfs/dbraw/zinc/76/96/39/1348769639.db2.gz FMZMCWWMKAKFTI-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001052955407 1348769642 /nfs/dbraw/zinc/76/96/42/1348769642.db2.gz FMZMCWWMKAKFTI-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053044613 1348845221 /nfs/dbraw/zinc/84/52/21/1348845221.db2.gz QQBIFUFCIYJTJG-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053044612 1348845291 /nfs/dbraw/zinc/84/52/91/1348845291.db2.gz QQBIFUFCIYJTJG-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087659 1348911595 /nfs/dbraw/zinc/91/15/95/1348911595.db2.gz MWSINEPBPBXSNQ-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053087659 1348911600 /nfs/dbraw/zinc/91/16/00/1348911600.db2.gz MWSINEPBPBXSNQ-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053087659 1348911604 /nfs/dbraw/zinc/91/16/04/1348911604.db2.gz MWSINEPBPBXSNQ-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001053090782 1348916390 /nfs/dbraw/zinc/91/63/90/1348916390.db2.gz IODSOGRNDZELKF-IEBWSBKVSA-N 2 1 340.471 3.061 20 0 EGADMP CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001053104760 1348941149 /nfs/dbraw/zinc/94/11/49/1348941149.db2.gz QIRRYHDIBOLVPQ-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174346 1349175122 /nfs/dbraw/zinc/17/51/22/1349175122.db2.gz NFHYKJDCSJYCAV-NRFANRHFSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001054209492 1349210695 /nfs/dbraw/zinc/21/06/95/1349210695.db2.gz REMXKGQSMJHSEW-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C3CCCC3)cc2C1 ZINC001054268317 1349267156 /nfs/dbraw/zinc/26/71/56/1349267156.db2.gz UITMGYQOBHOWGB-HXUWFJFHSA-N 2 1 341.499 3.045 20 0 EGADMP CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)cc2C1 ZINC001054268317 1349267159 /nfs/dbraw/zinc/26/71/59/1349267159.db2.gz UITMGYQOBHOWGB-HXUWFJFHSA-N 2 1 341.499 3.045 20 0 EGADMP CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C3CCCC3)cc2C1 ZINC001054268317 1349267161 /nfs/dbraw/zinc/26/71/61/1349267161.db2.gz UITMGYQOBHOWGB-HXUWFJFHSA-N 2 1 341.499 3.045 20 0 EGADMP CC(C)[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)cc2C1 ZINC001054289808 1349294105 /nfs/dbraw/zinc/29/41/05/1349294105.db2.gz RQKDKXWUZOZJNS-XLIONFOSSA-N 2 1 343.515 3.147 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001080017657 1357459766 /nfs/dbraw/zinc/45/97/66/1357459766.db2.gz RMCDHPWCKDJEIT-MISYRCLQSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001080017657 1357459769 /nfs/dbraw/zinc/45/97/69/1357459769.db2.gz RMCDHPWCKDJEIT-MISYRCLQSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C ZINC001080017657 1357459771 /nfs/dbraw/zinc/45/97/71/1357459771.db2.gz RMCDHPWCKDJEIT-MISYRCLQSA-N 2 1 347.547 3.044 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001080329708 1357574938 /nfs/dbraw/zinc/57/49/38/1357574938.db2.gz MEGFXGNTZVGGKH-LCLWPZTBSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001080329708 1357574945 /nfs/dbraw/zinc/57/49/45/1357574945.db2.gz MEGFXGNTZVGGKH-LCLWPZTBSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001080329708 1357574950 /nfs/dbraw/zinc/57/49/50/1357574950.db2.gz MEGFXGNTZVGGKH-LCLWPZTBSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001080557041 1357678479 /nfs/dbraw/zinc/67/84/79/1357678479.db2.gz CISRHEDFSAGPFC-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C ZINC001080557041 1357678482 /nfs/dbraw/zinc/67/84/82/1357678482.db2.gz CISRHEDFSAGPFC-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C ZINC001080557041 1357678484 /nfs/dbraw/zinc/67/84/84/1357678484.db2.gz CISRHEDFSAGPFC-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@H+]1CC1CCCC1 ZINC001071650329 1354827258 /nfs/dbraw/zinc/82/72/58/1354827258.db2.gz BCGLEZCXOWHOLL-QAPCUYQASA-N 2 1 340.471 3.107 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@H+]1CC1CCCC1 ZINC001071650330 1354827453 /nfs/dbraw/zinc/82/74/53/1354827453.db2.gz BCGLEZCXOWHOLL-YJBOKZPZSA-N 2 1 340.471 3.107 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001071688970 1354852189 /nfs/dbraw/zinc/85/21/89/1354852189.db2.gz CGGQFXMVHWXXIF-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001071688970 1354852193 /nfs/dbraw/zinc/85/21/93/1354852193.db2.gz CGGQFXMVHWXXIF-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1Cc1ccsc1 ZINC001071735969 1354888468 /nfs/dbraw/zinc/88/84/68/1354888468.db2.gz VQNQJHGCXVZALC-RDJZCZTQSA-N 2 1 349.544 3.092 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1Cc1ccsc1 ZINC001071735969 1354888471 /nfs/dbraw/zinc/88/84/71/1354888471.db2.gz VQNQJHGCXVZALC-RDJZCZTQSA-N 2 1 349.544 3.092 20 0 EGADMP C[N@@H+](CC1CCCCC1)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001089220509 1360263654 /nfs/dbraw/zinc/26/36/54/1360263654.db2.gz OMOUGZWRSFXMIS-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001071870122 1354995291 /nfs/dbraw/zinc/99/52/91/1354995291.db2.gz ZENOZUMPVSGOJQ-SJORKVTESA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001071870122 1354995294 /nfs/dbraw/zinc/99/52/94/1354995294.db2.gz ZENOZUMPVSGOJQ-SJORKVTESA-N 2 1 334.508 3.022 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@H+]1CC1CCC1 ZINC001071898196 1355013328 /nfs/dbraw/zinc/01/33/28/1355013328.db2.gz XATBZTBTOBPEAZ-OXJNMPFZSA-N 2 1 343.515 3.131 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC3CCCCC3)C2)CC1 ZINC001071931482 1355030967 /nfs/dbraw/zinc/03/09/67/1355030967.db2.gz WCRZXGBAHADTNE-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC3CCCC3)C2)CC1 ZINC001071954573 1355041190 /nfs/dbraw/zinc/04/11/90/1355041190.db2.gz QWGRFCWMSVFKCK-XLIONFOSSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CC1CCC(C)(C)CC1 ZINC001072081022 1355118574 /nfs/dbraw/zinc/11/85/74/1355118574.db2.gz FQWPZLNPHFQTEM-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001072085593 1355120547 /nfs/dbraw/zinc/12/05/47/1355120547.db2.gz VYZMEVYKPOIKFJ-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001072085593 1355120549 /nfs/dbraw/zinc/12/05/49/1355120549.db2.gz VYZMEVYKPOIKFJ-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@H+]1CC1CCC1 ZINC001072095407 1355126579 /nfs/dbraw/zinc/12/65/79/1355126579.db2.gz HUUGXXQMUNJZFD-JXFKEZNVSA-N 2 1 343.515 3.131 20 0 EGADMP CC(C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001072309949 1355232215 /nfs/dbraw/zinc/23/22/15/1355232215.db2.gz OUPFRYIWJDEPOS-DLBZAZTESA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073126122 1355610446 /nfs/dbraw/zinc/61/04/46/1355610446.db2.gz WQDDLEVTZZAGFB-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073462639 1355796367 /nfs/dbraw/zinc/79/63/67/1355796367.db2.gz VPBXULIFTIMLFX-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]21)[NH+](C)C ZINC001076255137 1356528727 /nfs/dbraw/zinc/52/87/27/1356528727.db2.gz UHXXUCAATQWGRE-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001099107386 1363625764 /nfs/dbraw/zinc/62/57/64/1363625764.db2.gz YWHDZRSMIGYQBZ-YZBXUTEPSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001082507198 1358052590 /nfs/dbraw/zinc/05/25/90/1358052590.db2.gz HEUDFXFOFKNWHM-MISYRCLQSA-N 2 1 347.547 3.186 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001082596297 1358065832 /nfs/dbraw/zinc/06/58/32/1358065832.db2.gz DELUTRQLIQMRAL-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CC1CCC1 ZINC001082701044 1358078215 /nfs/dbraw/zinc/07/82/15/1358078215.db2.gz JTMYKWLWLYYZBN-AHRSYUTCSA-N 2 1 347.547 3.020 20 0 EGADMP CCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001183517090 1387316015 /nfs/dbraw/zinc/31/60/15/1387316015.db2.gz OOLPUQQWPMRTDG-WSTZPKSXSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085014675 1358368124 /nfs/dbraw/zinc/36/81/24/1358368124.db2.gz VOBYMNYIWIIUHL-HOJAQTOUSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001085014675 1358368130 /nfs/dbraw/zinc/36/81/30/1358368130.db2.gz VOBYMNYIWIIUHL-HOJAQTOUSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001085014675 1358368134 /nfs/dbraw/zinc/36/81/34/1358368134.db2.gz VOBYMNYIWIIUHL-HOJAQTOUSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085199319 1358432273 /nfs/dbraw/zinc/43/22/73/1358432273.db2.gz GKDJFDXEQGKSRQ-BHIYHBOVSA-N 2 1 335.536 3.068 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1 ZINC001085389701 1358486649 /nfs/dbraw/zinc/48/66/49/1358486649.db2.gz RZNIMTZDFSCWNP-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC001085432574 1358498458 /nfs/dbraw/zinc/49/84/58/1358498458.db2.gz FNKMJOLZNSSDKF-KZNAEPCWSA-N 2 1 349.544 3.140 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001085593139 1358620262 /nfs/dbraw/zinc/62/02/62/1358620262.db2.gz CGFQPSMYLIMFHG-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001085593139 1358620263 /nfs/dbraw/zinc/62/02/63/1358620263.db2.gz CGFQPSMYLIMFHG-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001085593139 1358620264 /nfs/dbraw/zinc/62/02/64/1358620264.db2.gz CGFQPSMYLIMFHG-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085628999 1358647015 /nfs/dbraw/zinc/64/70/15/1358647015.db2.gz JMYLREFEWFRGRF-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001085628999 1358647018 /nfs/dbraw/zinc/64/70/18/1358647018.db2.gz JMYLREFEWFRGRF-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001085628999 1358647020 /nfs/dbraw/zinc/64/70/20/1358647020.db2.gz JMYLREFEWFRGRF-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCC2CCCC2)C1 ZINC001085639490 1358652975 /nfs/dbraw/zinc/65/29/75/1358652975.db2.gz PRVKDBBJHCMSRM-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCC2CCCC2)C1 ZINC001085639490 1358652978 /nfs/dbraw/zinc/65/29/78/1358652978.db2.gz PRVKDBBJHCMSRM-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCC2CCCC2)C1 ZINC001085639490 1358652981 /nfs/dbraw/zinc/65/29/81/1358652981.db2.gz PRVKDBBJHCMSRM-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CC1CCC1)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782129 1358757099 /nfs/dbraw/zinc/75/70/99/1358757099.db2.gz NQDBPSRVDBZVIH-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@H]1CC[NH+]1CC1CCC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782129 1358757103 /nfs/dbraw/zinc/75/71/03/1358757103.db2.gz NQDBPSRVDBZVIH-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@H]1CC[NH+]1CC1CCC1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782129 1358757106 /nfs/dbraw/zinc/75/71/06/1358757106.db2.gz NQDBPSRVDBZVIH-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCC2CCCC2)CC[N@H+]1C ZINC001085783228 1358758140 /nfs/dbraw/zinc/75/81/40/1358758140.db2.gz QLLGYBBBYXMRHZ-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCC2CCCC2)CC[NH+]1C ZINC001085783228 1358758144 /nfs/dbraw/zinc/75/81/44/1358758144.db2.gz QLLGYBBBYXMRHZ-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCCC2CCCC2)CC[NH+]1C ZINC001085783228 1358758146 /nfs/dbraw/zinc/75/81/46/1358758146.db2.gz QLLGYBBBYXMRHZ-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085782570 1358758404 /nfs/dbraw/zinc/75/84/04/1358758404.db2.gz XUZJZRIHWVAADI-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782570 1358758406 /nfs/dbraw/zinc/75/84/06/1358758406.db2.gz XUZJZRIHWVAADI-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782570 1358758409 /nfs/dbraw/zinc/75/84/09/1358758409.db2.gz XUZJZRIHWVAADI-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001183827273 1387354839 /nfs/dbraw/zinc/35/48/39/1387354839.db2.gz XWDPKBJRGJMSGG-MRXNPFEDSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001183827122 1387355002 /nfs/dbraw/zinc/35/50/02/1387355002.db2.gz WIVLYEDTSSGZNL-QGZVFWFLSA-N 2 1 337.552 3.410 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CC1CCCC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875764 1358840276 /nfs/dbraw/zinc/84/02/76/1358840276.db2.gz IVGGPESCBPQCAF-FQEVSTJZSA-N 2 1 343.515 3.085 20 0 EGADMP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001086119340 1359001701 /nfs/dbraw/zinc/00/17/01/1359001701.db2.gz KMEFKFOFDRQYFF-ZGXWSNOMSA-N 2 1 347.547 3.068 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086121825 1359002548 /nfs/dbraw/zinc/00/25/48/1359002548.db2.gz KZFFUFFZKIWTDI-ZCNNSNEGSA-N 2 1 349.563 3.316 20 0 EGADMP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001086221683 1359031722 /nfs/dbraw/zinc/03/17/22/1359031722.db2.gz FMVYAJQJJNDVOM-WCIQWLHISA-N 2 1 347.547 3.068 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001086278335 1359051774 /nfs/dbraw/zinc/05/17/74/1359051774.db2.gz RIUKIIHSLVGXNX-ZCNNSNEGSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001086382698 1359083518 /nfs/dbraw/zinc/08/35/18/1359083518.db2.gz SCYSEHWHHRHVGM-UFYCRDLUSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086694569 1359187260 /nfs/dbraw/zinc/18/72/60/1359187260.db2.gz YJLMGMXAVWDLJX-ZCNNSNEGSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086695229 1359187623 /nfs/dbraw/zinc/18/76/23/1359187623.db2.gz HWQGZCIQLLEICS-XUVXKRRUSA-N 2 1 347.547 3.234 20 0 EGADMP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086926843 1359251836 /nfs/dbraw/zinc/25/18/36/1359251836.db2.gz LTMFMCJJLMQYEM-OALUTQOASA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CCCCC2)C1 ZINC001087213057 1359322837 /nfs/dbraw/zinc/32/28/37/1359322837.db2.gz CMLYCFAGXYDUQM-HBFSDRIKSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC[N@H+]1CC1CCC1 ZINC001087602275 1359550649 /nfs/dbraw/zinc/55/06/49/1359550649.db2.gz ICMGFTAGJMZIFF-GBESFXJTSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CC1CCC1 ZINC001087602275 1359550652 /nfs/dbraw/zinc/55/06/52/1359550652.db2.gz ICMGFTAGJMZIFF-GBESFXJTSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC[NH+]1CC1CCC1 ZINC001087602275 1359550655 /nfs/dbraw/zinc/55/06/55/1359550655.db2.gz ICMGFTAGJMZIFF-GBESFXJTSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1CC1CCC1 ZINC001087602299 1359550864 /nfs/dbraw/zinc/55/08/64/1359550864.db2.gz JJIWOBBXZUWWBF-ZCNNSNEGSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1CC1CCC1 ZINC001087602299 1359550867 /nfs/dbraw/zinc/55/08/67/1359550867.db2.gz JJIWOBBXZUWWBF-ZCNNSNEGSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1CC1CCC1 ZINC001087602299 1359550869 /nfs/dbraw/zinc/55/08/69/1359550869.db2.gz JJIWOBBXZUWWBF-ZCNNSNEGSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1CCC(C)(C)C ZINC001087642296 1359567444 /nfs/dbraw/zinc/56/74/44/1359567444.db2.gz GTMARUMEICAHCZ-ZWKOTPCHSA-N 2 1 342.487 3.353 20 0 EGADMP CC[C@@H](F)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1CC ZINC001087840550 1359674075 /nfs/dbraw/zinc/67/40/75/1359674075.db2.gz CHJKHFJIZXUJGT-NZSAHSFTSA-N 2 1 349.494 3.079 20 0 EGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCCCC[C@@H]([NH2+]CC2CC2)C1 ZINC001088327572 1359831777 /nfs/dbraw/zinc/83/17/77/1359831777.db2.gz QHROJFNSBIVYPJ-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1Cc1ccsc1 ZINC001088567208 1359977191 /nfs/dbraw/zinc/97/71/91/1359977191.db2.gz ADNGRBRAHONTGU-WBVHZDCISA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CC2=CCCCC2)[C@@H]1C ZINC001088621360 1359993924 /nfs/dbraw/zinc/99/39/24/1359993924.db2.gz ASSFYSWDNNJWLL-RLLQIKCJSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)[C@@H]1C ZINC001088621360 1359993932 /nfs/dbraw/zinc/99/39/32/1359993932.db2.gz ASSFYSWDNNJWLL-RLLQIKCJSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)[C@@H]1C ZINC001088621360 1359993936 /nfs/dbraw/zinc/99/39/36/1359993936.db2.gz ASSFYSWDNNJWLL-RLLQIKCJSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)[C@@H]1C ZINC001088693184 1360015434 /nfs/dbraw/zinc/01/54/34/1360015434.db2.gz OHZVSDKHJICUKT-SQNIBIBYSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)[C@@H]1C ZINC001088693184 1360015445 /nfs/dbraw/zinc/01/54/45/1360015445.db2.gz OHZVSDKHJICUKT-SQNIBIBYSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H]1C ZINC001088693184 1360015453 /nfs/dbraw/zinc/01/54/53/1360015453.db2.gz OHZVSDKHJICUKT-SQNIBIBYSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCC1CCCCC1 ZINC001088899283 1360098388 /nfs/dbraw/zinc/09/83/88/1360098388.db2.gz WCDOEROTLFCMBE-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC(C)C)[C@@H]1C ZINC001088972207 1360120154 /nfs/dbraw/zinc/12/01/54/1360120154.db2.gz VQEMQHSPFDQSOV-CEXWTWQISA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)C)[C@@H]1C ZINC001088972207 1360120157 /nfs/dbraw/zinc/12/01/57/1360120157.db2.gz VQEMQHSPFDQSOV-CEXWTWQISA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)C)[C@@H]1C ZINC001088972207 1360120160 /nfs/dbraw/zinc/12/01/60/1360120160.db2.gz VQEMQHSPFDQSOV-CEXWTWQISA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC2CCC2)C1 ZINC001089218182 1360262879 /nfs/dbraw/zinc/26/28/79/1360262879.db2.gz WSXXXTOOVRAHOP-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCCC[C@H]2C[N@H+](C)CC2CCC2)C1 ZINC001089218182 1360262883 /nfs/dbraw/zinc/26/28/83/1360262883.db2.gz WSXXXTOOVRAHOP-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CCC2)C1 ZINC001089218182 1360262887 /nfs/dbraw/zinc/26/28/87/1360262887.db2.gz WSXXXTOOVRAHOP-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001089260118 1360288901 /nfs/dbraw/zinc/28/89/01/1360288901.db2.gz YHGZKFCTRBPBDP-IBGZPJMESA-N 2 1 331.504 3.083 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CC(C)(C)C2)CC(C)(C)C1 ZINC001089334876 1360347986 /nfs/dbraw/zinc/34/79/86/1360347986.db2.gz KYICBGBLSKWIGN-MSOLQXFVSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)CC(C)(C)C1 ZINC001089334876 1360347988 /nfs/dbraw/zinc/34/79/88/1360347988.db2.gz KYICBGBLSKWIGN-MSOLQXFVSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)CC(C)(C)C1 ZINC001089334876 1360347992 /nfs/dbraw/zinc/34/79/92/1360347992.db2.gz KYICBGBLSKWIGN-MSOLQXFVSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089400655 1360400150 /nfs/dbraw/zinc/40/01/50/1360400150.db2.gz KEJYBYGNARXOQK-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001089400655 1360400152 /nfs/dbraw/zinc/40/01/52/1360400152.db2.gz KEJYBYGNARXOQK-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1 ZINC001089400655 1360400153 /nfs/dbraw/zinc/40/01/53/1360400153.db2.gz KEJYBYGNARXOQK-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC=C(C)C)CC(C)(C)C1 ZINC001089401935 1360401415 /nfs/dbraw/zinc/40/14/15/1360401415.db2.gz ZPPLCZXEFGIFOQ-OALUTQOASA-N 2 1 349.563 3.434 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC=C(C)C)CC(C)(C)C1 ZINC001089401935 1360401417 /nfs/dbraw/zinc/40/14/17/1360401417.db2.gz ZPPLCZXEFGIFOQ-OALUTQOASA-N 2 1 349.563 3.434 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC=C(C)C)CC(C)(C)C1 ZINC001089401935 1360401419 /nfs/dbraw/zinc/40/14/19/1360401419.db2.gz ZPPLCZXEFGIFOQ-OALUTQOASA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405433 1360403936 /nfs/dbraw/zinc/40/39/36/1360403936.db2.gz CAAHKGHEJVXTKK-IAGOWNOFSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405433 1360403938 /nfs/dbraw/zinc/40/39/38/1360403938.db2.gz CAAHKGHEJVXTKK-IAGOWNOFSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089429705 1360421731 /nfs/dbraw/zinc/42/17/31/1360421731.db2.gz DTURPGUIWGTVGR-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CC3CCC3)CC(C)(C)C2)CC1 ZINC001089527388 1360490809 /nfs/dbraw/zinc/49/08/09/1360490809.db2.gz OETOMMLDWWISRI-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089533898 1360493642 /nfs/dbraw/zinc/49/36/42/1360493642.db2.gz LCFDNGMTKNQGPE-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCCCC1 ZINC001089615743 1360535953 /nfs/dbraw/zinc/53/59/53/1360535953.db2.gz BERDADAZIVNNJM-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCCCC1 ZINC001089615743 1360535957 /nfs/dbraw/zinc/53/59/57/1360535957.db2.gz BERDADAZIVNNJM-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCCCC1 ZINC001089615743 1360535962 /nfs/dbraw/zinc/53/59/62/1360535962.db2.gz BERDADAZIVNNJM-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089646027 1360557995 /nfs/dbraw/zinc/55/79/95/1360557995.db2.gz HBWKCTLCCXFHSI-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001089646027 1360557996 /nfs/dbraw/zinc/55/79/96/1360557996.db2.gz HBWKCTLCCXFHSI-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCC1 ZINC001089646027 1360557998 /nfs/dbraw/zinc/55/79/98/1360557998.db2.gz HBWKCTLCCXFHSI-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089662840 1360573721 /nfs/dbraw/zinc/57/37/21/1360573721.db2.gz GKEULCREWHWIBE-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001089662840 1360573724 /nfs/dbraw/zinc/57/37/24/1360573724.db2.gz GKEULCREWHWIBE-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001089662840 1360573728 /nfs/dbraw/zinc/57/37/28/1360573728.db2.gz GKEULCREWHWIBE-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089734458 1360639367 /nfs/dbraw/zinc/63/93/67/1360639367.db2.gz QTFLEPNGFAHSFN-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001089734458 1360639370 /nfs/dbraw/zinc/63/93/70/1360639370.db2.gz QTFLEPNGFAHSFN-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001089734458 1360639372 /nfs/dbraw/zinc/63/93/72/1360639372.db2.gz QTFLEPNGFAHSFN-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001091112513 1360993916 /nfs/dbraw/zinc/99/39/16/1360993916.db2.gz VRTGUVKOGMWWAP-MHJFOBGBSA-N 2 1 349.563 3.172 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C)CC3 ZINC001323954247 1387500003 /nfs/dbraw/zinc/50/00/03/1387500003.db2.gz YBRXGAJREASRTO-IFZYUDKTSA-N 2 1 341.499 3.496 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1)C1CCCCC1 ZINC001184608702 1387500001 /nfs/dbraw/zinc/50/00/01/1387500001.db2.gz BWPIFMIZMURBNN-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H](N[C@H]1CCCC[C@H]1[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC001323991982 1387504937 /nfs/dbraw/zinc/50/49/37/1387504937.db2.gz URARPPTWJTXGMX-FFZOFVMBSA-N 2 1 333.520 3.150 20 0 EGADMP CCCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093379764 1361590263 /nfs/dbraw/zinc/59/02/63/1361590263.db2.gz INIZEARUMKINLN-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430289 1361799335 /nfs/dbraw/zinc/79/93/35/1361799335.db2.gz KCYDIISZZDORKS-QWFCFKBJSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3CCC)CCC[C@@H]12 ZINC001094430289 1361799339 /nfs/dbraw/zinc/79/93/39/1361799339.db2.gz KCYDIISZZDORKS-QWFCFKBJSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3CCC)CCC[C@@H]12 ZINC001094430289 1361799341 /nfs/dbraw/zinc/79/93/41/1361799341.db2.gz KCYDIISZZDORKS-QWFCFKBJSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001094458801 1361809560 /nfs/dbraw/zinc/80/95/60/1361809560.db2.gz ZJEXBOYMSDNPTR-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001095863418 1362258227 /nfs/dbraw/zinc/25/82/27/1362258227.db2.gz NDKMFUNYFQNBRJ-SQNIBIBYSA-N 2 1 347.547 3.019 20 0 EGADMP CCC(CC)C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001324233811 1387562896 /nfs/dbraw/zinc/56/28/96/1387562896.db2.gz DEKNPCNQGNNKSB-KRWDZBQOSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001096105326 1362384964 /nfs/dbraw/zinc/38/49/64/1362384964.db2.gz YOLGYICBCWXNIR-FUMNGEBKSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1 ZINC001096105326 1362384966 /nfs/dbraw/zinc/38/49/66/1362384966.db2.gz YOLGYICBCWXNIR-FUMNGEBKSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001096105326 1362384972 /nfs/dbraw/zinc/38/49/72/1362384972.db2.gz YOLGYICBCWXNIR-FUMNGEBKSA-N 2 1 347.547 3.161 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCCC2)C1 ZINC001096348222 1362469718 /nfs/dbraw/zinc/46/97/18/1362469718.db2.gz GGFFGCIRKJVXBV-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCCC2)C1 ZINC001096348222 1362469722 /nfs/dbraw/zinc/46/97/22/1362469722.db2.gz GGFFGCIRKJVXBV-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCCC2)C1 ZINC001096348222 1362469724 /nfs/dbraw/zinc/46/97/24/1362469724.db2.gz GGFFGCIRKJVXBV-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001324264719 1387575071 /nfs/dbraw/zinc/57/50/71/1387575071.db2.gz YRQKLTKNDGYRAO-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001098461057 1363331977 /nfs/dbraw/zinc/33/19/77/1363331977.db2.gz OWGCYXGXFFXNHY-ZSXHRAQDSA-N 2 1 343.515 3.129 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(C)C)o1 ZINC001098483206 1363339408 /nfs/dbraw/zinc/33/94/08/1363339408.db2.gz PRNCSLIOZCUTJO-NXHRZFHOSA-N 2 1 347.503 3.113 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001185120283 1387622800 /nfs/dbraw/zinc/62/28/00/1387622800.db2.gz QCEHFAVILPQWDW-HHOLJBISSA-N 2 1 347.547 3.330 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098875849 1363501172 /nfs/dbraw/zinc/50/11/72/1363501172.db2.gz WVJBELFEMANNFS-BJLQDIEVSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098875849 1363501177 /nfs/dbraw/zinc/50/11/77/1363501177.db2.gz WVJBELFEMANNFS-BJLQDIEVSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001098875849 1363501179 /nfs/dbraw/zinc/50/11/79/1363501179.db2.gz WVJBELFEMANNFS-BJLQDIEVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098875043 1363501354 /nfs/dbraw/zinc/50/13/54/1363501354.db2.gz LYKVJZZOMXRLCB-ZJOUEHCJSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098875043 1363501358 /nfs/dbraw/zinc/50/13/58/1363501358.db2.gz LYKVJZZOMXRLCB-ZJOUEHCJSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098875043 1363501363 /nfs/dbraw/zinc/50/13/63/1363501363.db2.gz LYKVJZZOMXRLCB-ZJOUEHCJSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110287 1363627867 /nfs/dbraw/zinc/62/78/67/1363627867.db2.gz AIUBZEKDKUVDRL-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099110287 1363627869 /nfs/dbraw/zinc/62/78/69/1363627869.db2.gz AIUBZEKDKUVDRL-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001099110287 1363627871 /nfs/dbraw/zinc/62/78/71/1363627871.db2.gz AIUBZEKDKUVDRL-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCC(C)C)[NH+](C)C ZINC001099125538 1363637887 /nfs/dbraw/zinc/63/78/87/1363637887.db2.gz HUFCXPYDBWAZHN-ZWKOTPCHSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001099130578 1363642618 /nfs/dbraw/zinc/64/26/18/1363642618.db2.gz PJDRBGJPNSBSHB-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001099130578 1363642622 /nfs/dbraw/zinc/64/26/22/1363642622.db2.gz PJDRBGJPNSBSHB-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001099130578 1363642625 /nfs/dbraw/zinc/64/26/25/1363642625.db2.gz PJDRBGJPNSBSHB-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccccc1 ZINC001099198829 1363687782 /nfs/dbraw/zinc/68/77/82/1363687782.db2.gz FZARVOZVOKHEOE-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP Cc1ccccc1C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099213365 1363694214 /nfs/dbraw/zinc/69/42/14/1363694214.db2.gz DGBSMOKQYPGTON-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCC1CCC1 ZINC001099215477 1363696527 /nfs/dbraw/zinc/69/65/27/1363696527.db2.gz VCJQWKZDXFPDSN-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@H](C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310907 1363743992 /nfs/dbraw/zinc/74/39/92/1363743992.db2.gz VTWKPJPEPLGDDW-ROUUACIJSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCCC(C)C ZINC001099316686 1363746628 /nfs/dbraw/zinc/74/66/28/1363746628.db2.gz ZXUQCLXUAHRQBK-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCC(C)C ZINC001099316686 1363746633 /nfs/dbraw/zinc/74/66/33/1363746633.db2.gz ZXUQCLXUAHRQBK-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCC(C)C ZINC001099316686 1363746636 /nfs/dbraw/zinc/74/66/36/1363746636.db2.gz ZXUQCLXUAHRQBK-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CCCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001099335503 1363756828 /nfs/dbraw/zinc/75/68/28/1363756828.db2.gz WWJQVHNWPCLBJK-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001099335503 1363756831 /nfs/dbraw/zinc/75/68/31/1363756831.db2.gz WWJQVHNWPCLBJK-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001099335503 1363756835 /nfs/dbraw/zinc/75/68/35/1363756835.db2.gz WWJQVHNWPCLBJK-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CC1(C)CC[C@H](CNC(=O)C[NH+]2CCCC2)[N@@H+](CCC2CCCC2)C1 ZINC001099340195 1363760805 /nfs/dbraw/zinc/76/08/05/1363760805.db2.gz QPMILQGOMJUISI-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001099349291 1363765589 /nfs/dbraw/zinc/76/55/89/1363765589.db2.gz OXYNFHMADFPDJB-OALUTQOASA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001099349291 1363765593 /nfs/dbraw/zinc/76/55/93/1363765593.db2.gz OXYNFHMADFPDJB-OALUTQOASA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001099446297 1363801442 /nfs/dbraw/zinc/80/14/42/1363801442.db2.gz LJGQKFHYOZIKGN-CUWPLCDZSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185235770 1387657602 /nfs/dbraw/zinc/65/76/02/1387657602.db2.gz RSPDIYKCFUOCEP-MSOLQXFVSA-N 2 1 348.535 3.271 20 0 EGADMP CC/C=C/CC[NH2+]C1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001100346190 1364086736 /nfs/dbraw/zinc/08/67/36/1364086736.db2.gz VVJRTVMPTOXINV-KCCQAMRWSA-N 2 1 346.519 3.237 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1CC([NH2+]CC(CC)CC)C1 ZINC001100345942 1364086931 /nfs/dbraw/zinc/08/69/31/1364086931.db2.gz HWCAKWVIVNARRA-FAEJEUNOSA-N 2 1 348.535 3.317 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001100420484 1364108436 /nfs/dbraw/zinc/10/84/36/1364108436.db2.gz JVXVFGSRMMNUDO-MHJFOBGBSA-N 2 1 347.547 3.236 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001100764919 1364251895 /nfs/dbraw/zinc/25/18/95/1364251895.db2.gz KVFZIAGXZRNHEP-UHFFFAOYSA-N 2 1 349.563 3.483 20 0 EGADMP CC[C@@H]([NH2+]C1CC(CNC(=O)CC[N@@H+](C)CC)C1)c1ccc(F)cc1 ZINC001100831391 1364282722 /nfs/dbraw/zinc/28/27/22/1364282722.db2.gz UNWKOTDGPAWESK-XUJQIHCRSA-N 2 1 349.494 3.103 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101361982 1364528096 /nfs/dbraw/zinc/52/80/96/1364528096.db2.gz NLSYDCUKOBRKEN-GGPKGHCWSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C(C)(C)C[NH2+]CC=C(C)C)CC1 ZINC001101591406 1364642565 /nfs/dbraw/zinc/64/25/65/1364642565.db2.gz YJWVUQOMMAPPRB-UHFFFAOYSA-N 2 1 337.552 3.149 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001101963176 1364792465 /nfs/dbraw/zinc/79/24/65/1364792465.db2.gz OYTKIWOQDNQRBR-QSMUSEHHSA-N 2 1 349.563 3.290 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001101963176 1364792470 /nfs/dbraw/zinc/79/24/70/1364792470.db2.gz OYTKIWOQDNQRBR-QSMUSEHHSA-N 2 1 349.563 3.290 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001101963176 1364792471 /nfs/dbraw/zinc/79/24/71/1364792471.db2.gz OYTKIWOQDNQRBR-QSMUSEHHSA-N 2 1 349.563 3.290 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@](C)(NC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001324618587 1387702039 /nfs/dbraw/zinc/70/20/39/1387702039.db2.gz BJJWAWOVXHTDLR-UTKZUKDTSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CC[C@](C)(NC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001324618587 1387702041 /nfs/dbraw/zinc/70/20/41/1387702041.db2.gz BJJWAWOVXHTDLR-UTKZUKDTSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CC[C@](C)(NC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001324618587 1387702046 /nfs/dbraw/zinc/70/20/46/1387702046.db2.gz BJJWAWOVXHTDLR-UTKZUKDTSA-N 2 1 343.515 3.121 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357616 1365020748 /nfs/dbraw/zinc/02/07/48/1365020748.db2.gz CDWGPXTTXZHRJW-GUDVDZBRSA-N 2 1 339.568 3.371 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102368523 1365026363 /nfs/dbraw/zinc/02/63/63/1365026363.db2.gz YBWFTGBJHGLHHE-WSTZPKSXSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001102368523 1365026366 /nfs/dbraw/zinc/02/63/66/1365026366.db2.gz YBWFTGBJHGLHHE-WSTZPKSXSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001102368523 1365026370 /nfs/dbraw/zinc/02/63/70/1365026370.db2.gz YBWFTGBJHGLHHE-WSTZPKSXSA-N 2 1 347.547 3.045 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@@H](C)c2ccccc2C)C[C@H]1C ZINC001102496162 1365086916 /nfs/dbraw/zinc/08/69/16/1365086916.db2.gz HMWGQADBWPIJKK-CEXWTWQISA-N 2 1 345.531 3.082 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2C)C[C@H]1C ZINC001102496162 1365086919 /nfs/dbraw/zinc/08/69/19/1365086919.db2.gz HMWGQADBWPIJKK-CEXWTWQISA-N 2 1 345.531 3.082 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2C)C[C@H]1C ZINC001102496162 1365086923 /nfs/dbraw/zinc/08/69/23/1365086923.db2.gz HMWGQADBWPIJKK-CEXWTWQISA-N 2 1 345.531 3.082 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596580 1365130058 /nfs/dbraw/zinc/13/00/58/1365130058.db2.gz NDSVSOBJSKPQAN-BGEOSOQGSA-N 2 1 349.563 3.293 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102612855 1365137689 /nfs/dbraw/zinc/13/76/89/1365137689.db2.gz AFXSJEBRICPIQB-RTBURBONSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001102987719 1365328688 /nfs/dbraw/zinc/32/86/88/1365328688.db2.gz OIDGFCFLAVTMGD-GUDVDZBRSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001102987719 1365328689 /nfs/dbraw/zinc/32/86/89/1365328689.db2.gz OIDGFCFLAVTMGD-GUDVDZBRSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001102987719 1365328691 /nfs/dbraw/zinc/32/86/91/1365328691.db2.gz OIDGFCFLAVTMGD-GUDVDZBRSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1CCNC(=O)C[NH+](C)C1CCC1 ZINC001103090557 1365376249 /nfs/dbraw/zinc/37/62/49/1365376249.db2.gz YFIMDVWEQUWKAJ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC001103090557 1365376252 /nfs/dbraw/zinc/37/62/52/1365376252.db2.gz YFIMDVWEQUWKAJ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001103090557 1365376255 /nfs/dbraw/zinc/37/62/55/1365376255.db2.gz YFIMDVWEQUWKAJ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C)[NH+](C)C ZINC001103111880 1365386916 /nfs/dbraw/zinc/38/69/16/1365386916.db2.gz SIGGGUYGDUKENG-RLLQIKCJSA-N 2 1 349.563 3.147 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001103149799 1365410853 /nfs/dbraw/zinc/41/08/53/1365410853.db2.gz MFHUECHVVIYZKT-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001103149799 1365410856 /nfs/dbraw/zinc/41/08/56/1365410856.db2.gz MFHUECHVVIYZKT-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001103149799 1365410859 /nfs/dbraw/zinc/41/08/59/1365410859.db2.gz MFHUECHVVIYZKT-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC001103271536 1365465576 /nfs/dbraw/zinc/46/55/76/1365465576.db2.gz SSYCVHBSGDOVEG-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CC2)C[C@H]1CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001103271536 1365465577 /nfs/dbraw/zinc/46/55/77/1365465577.db2.gz SSYCVHBSGDOVEG-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CC2)C[C@H]1CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001103271536 1365465578 /nfs/dbraw/zinc/46/55/78/1365465578.db2.gz SSYCVHBSGDOVEG-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001103271353 1365465595 /nfs/dbraw/zinc/46/55/95/1365465595.db2.gz KGPMQYYOIWKJJV-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001103271353 1365465597 /nfs/dbraw/zinc/46/55/97/1365465597.db2.gz KGPMQYYOIWKJJV-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001103271353 1365465598 /nfs/dbraw/zinc/46/55/98/1365465598.db2.gz KGPMQYYOIWKJJV-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103644655 1365697947 /nfs/dbraw/zinc/69/79/47/1365697947.db2.gz KEYIXFUHFGKWPV-AHSYYPKJSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001103644655 1365697950 /nfs/dbraw/zinc/69/79/50/1365697950.db2.gz KEYIXFUHFGKWPV-AHSYYPKJSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001103644655 1365697953 /nfs/dbraw/zinc/69/79/53/1365697953.db2.gz KEYIXFUHFGKWPV-AHSYYPKJSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103644657 1365698172 /nfs/dbraw/zinc/69/81/72/1365698172.db2.gz KEYIXFUHFGKWPV-PFRNKHFKSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001103644657 1365698176 /nfs/dbraw/zinc/69/81/76/1365698176.db2.gz KEYIXFUHFGKWPV-PFRNKHFKSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001103644657 1365698178 /nfs/dbraw/zinc/69/81/78/1365698178.db2.gz KEYIXFUHFGKWPV-PFRNKHFKSA-N 2 1 349.563 3.149 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1CCNC(=O)CCC[NH+]1CCCCC1 ZINC001103732483 1365754354 /nfs/dbraw/zinc/75/43/54/1365754354.db2.gz BXZBNVDONKTYEC-UYAOXDASSA-N 2 1 349.563 3.127 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755516 1365766242 /nfs/dbraw/zinc/76/62/42/1365766242.db2.gz KDNRGFMIQKWHIW-FAPWYTRCSA-N 2 1 337.552 3.147 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001103755516 1365766244 /nfs/dbraw/zinc/76/62/44/1365766244.db2.gz KDNRGFMIQKWHIW-FAPWYTRCSA-N 2 1 337.552 3.147 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001103755516 1365766246 /nfs/dbraw/zinc/76/62/46/1365766246.db2.gz KDNRGFMIQKWHIW-FAPWYTRCSA-N 2 1 337.552 3.147 20 0 EGADMP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001104215081 1365955072 /nfs/dbraw/zinc/95/50/72/1365955072.db2.gz LQIBHWPRKBBCAR-YTWUFAMPSA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104265063 1365972459 /nfs/dbraw/zinc/97/24/59/1365972459.db2.gz RGTDJTIPTMEHRD-VJQBDMSCSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104678844 1366128395 /nfs/dbraw/zinc/12/83/95/1366128395.db2.gz DVLVESFCRGAOQQ-AHYCVCGYSA-N 2 1 349.563 3.149 20 0 EGADMP C[N@@H+](CC(=O)NCC1(C)CC[NH+](CCCC2CCC2)CC1)C1CCC1 ZINC001324867353 1387796677 /nfs/dbraw/zinc/79/66/77/1387796677.db2.gz DFDFPEZHBSGJOC-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001105517814 1366504959 /nfs/dbraw/zinc/50/49/59/1366504959.db2.gz KIEURNBPEQWQMR-MOPGFXCFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001105539817 1366518770 /nfs/dbraw/zinc/51/87/70/1366518770.db2.gz QHXIGDDKCKDTJO-GUDVDZBRSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CC2)CCC1)C1CCC1 ZINC001105542000 1366520086 /nfs/dbraw/zinc/52/00/86/1366520086.db2.gz MYDQEZALMSVOQS-LJQANCHMSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CCC[C@@H]2C)CCC1 ZINC001105563546 1366533012 /nfs/dbraw/zinc/53/30/12/1366533012.db2.gz PBNBLYOQYKXRLX-RBUKOAKNSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CCC[C@H]2C)CCC1 ZINC001105564321 1366533214 /nfs/dbraw/zinc/53/32/14/1366533214.db2.gz ZTNXKORVTJWHGG-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001106248774 1366633097 /nfs/dbraw/zinc/63/30/97/1366633097.db2.gz YRWBYVZQYHZMIZ-IVCWSTDESA-N 2 1 349.563 3.005 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439412 1366963640 /nfs/dbraw/zinc/96/36/40/1366963640.db2.gz ZZNQORQYQMJVJQ-GPSLIFSJSA-N 2 1 347.547 3.044 20 0 EGADMP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(C)C)CC2)[NH+](CC)CC ZINC001107544117 1367035141 /nfs/dbraw/zinc/03/51/41/1367035141.db2.gz MTENLBFUBLUPAV-QWFCFKBJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107567100 1367047678 /nfs/dbraw/zinc/04/76/78/1367047678.db2.gz JTISQDSKHCCLEO-NLWGTHIKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001107608545 1367070363 /nfs/dbraw/zinc/07/03/63/1367070363.db2.gz XWIYDHNORRAJPT-UYAOXDASSA-N 2 1 347.547 3.023 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107613939 1367073132 /nfs/dbraw/zinc/07/31/32/1367073132.db2.gz GXCFNKYUVYYVCI-NLWGTHIKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)(C)CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633120 1367084046 /nfs/dbraw/zinc/08/40/46/1367084046.db2.gz LAEYQGHGZMOREB-WIYYLYMNSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CCCC1)CC2 ZINC001107646662 1367092337 /nfs/dbraw/zinc/09/23/37/1367092337.db2.gz PAPHAWWUGSEHJB-TZIWHRDSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CCCC1)CC2 ZINC001107646662 1367092341 /nfs/dbraw/zinc/09/23/41/1367092341.db2.gz PAPHAWWUGSEHJB-TZIWHRDSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CCCC1)CC2 ZINC001107646662 1367092346 /nfs/dbraw/zinc/09/23/46/1367092346.db2.gz PAPHAWWUGSEHJB-TZIWHRDSSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001109419665 1367113334 /nfs/dbraw/zinc/11/33/34/1367113334.db2.gz ZIEGHHTXOOPSHP-BDXSIMOUSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001109419665 1367113337 /nfs/dbraw/zinc/11/33/37/1367113337.db2.gz ZIEGHHTXOOPSHP-BDXSIMOUSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001109419665 1367113339 /nfs/dbraw/zinc/11/33/39/1367113339.db2.gz ZIEGHHTXOOPSHP-BDXSIMOUSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1)[NH+](C)C ZINC001109446476 1367126376 /nfs/dbraw/zinc/12/63/76/1367126376.db2.gz RAHLHTMPSKZJBM-HCXYKTFWSA-N 2 1 335.536 3.019 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001186067285 1387858204 /nfs/dbraw/zinc/85/82/04/1387858204.db2.gz CSPZGWGAZXMPOI-IPLHWJFFSA-N 2 1 346.519 3.334 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212912 1367200618 /nfs/dbraw/zinc/20/06/18/1367200618.db2.gz OCONXJAOGOCCDM-FPMVPNIMSA-N 2 1 347.547 3.142 20 0 EGADMP CCc1nccn1[C@H](C)CC(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)C)C1 ZINC001190248188 1367208313 /nfs/dbraw/zinc/20/83/13/1367208313.db2.gz XXTNJRICRRNTAS-QZTJIDSGSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H]([N@H+](C)CCCC(C)C)C1 ZINC001190248188 1367208320 /nfs/dbraw/zinc/20/83/20/1367208320.db2.gz XXTNJRICRRNTAS-QZTJIDSGSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)C)C1 ZINC001190248188 1367208323 /nfs/dbraw/zinc/20/83/23/1367208323.db2.gz XXTNJRICRRNTAS-QZTJIDSGSA-N 2 1 348.535 3.366 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)c1 ZINC001109674444 1367275527 /nfs/dbraw/zinc/27/55/27/1367275527.db2.gz JMBJHUKVLDDENE-JYBIWHBTSA-N 2 1 343.515 3.038 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1)[NH+](C)C ZINC001109686866 1367281457 /nfs/dbraw/zinc/28/14/57/1367281457.db2.gz MICSVPNXZPVPCM-FUMNGEBKSA-N 2 1 349.563 3.265 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109688433 1367283198 /nfs/dbraw/zinc/28/31/98/1367283198.db2.gz OTEUBKTVYFEMJH-NHFNDCBGSA-N 2 1 335.536 3.041 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724353 1367293499 /nfs/dbraw/zinc/29/34/99/1367293499.db2.gz OFVLAXMIDGVBQW-SZXSIIMHSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109724353 1367293503 /nfs/dbraw/zinc/29/35/03/1367293503.db2.gz OFVLAXMIDGVBQW-SZXSIIMHSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109724353 1367293506 /nfs/dbraw/zinc/29/35/06/1367293506.db2.gz OFVLAXMIDGVBQW-SZXSIIMHSA-N 2 1 335.536 3.042 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190890353 1367375601 /nfs/dbraw/zinc/37/56/01/1367375601.db2.gz PTXVVZHVQQMJGY-ZMBJWTFHSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190890350 1367376276 /nfs/dbraw/zinc/37/62/76/1367376276.db2.gz PTXVVZHVQQMJGY-SFFCAUCYSA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001190996227 1367397594 /nfs/dbraw/zinc/39/75/94/1367397594.db2.gz BBCCYYMUFMQUPH-MJGOQNOKSA-N 2 1 345.531 3.319 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191351590 1367481896 /nfs/dbraw/zinc/48/18/96/1367481896.db2.gz JGOSKZVMGQMICN-VQIMIIECSA-N 2 1 342.487 3.163 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001110152669 1367527142 /nfs/dbraw/zinc/52/71/42/1367527142.db2.gz AMOCFFGJUWKCFD-AABGKKOBSA-N 2 1 345.531 3.084 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001110153597 1367527447 /nfs/dbraw/zinc/52/74/47/1367527447.db2.gz BUUFHGHRQXPSSL-AABGKKOBSA-N 2 1 347.547 3.164 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CC[C@@H]([N@@H+](C)CC3CCCCC3)C2)CCCC1 ZINC001191561705 1367528682 /nfs/dbraw/zinc/52/86/82/1367528682.db2.gz RWLNZLGRQIMGEB-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161713 1367534779 /nfs/dbraw/zinc/53/47/79/1367534779.db2.gz QPZJFZCOPGRVHM-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CCC)C2 ZINC001108804313 1367606954 /nfs/dbraw/zinc/60/69/54/1367606954.db2.gz NTMQRPHABGNXII-OTWHNJEPSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191950003 1367647234 /nfs/dbraw/zinc/64/72/34/1367647234.db2.gz SEFOGZZNDSMZRT-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191950003 1367647240 /nfs/dbraw/zinc/64/72/40/1367647240.db2.gz SEFOGZZNDSMZRT-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191950003 1367647247 /nfs/dbraw/zinc/64/72/47/1367647247.db2.gz SEFOGZZNDSMZRT-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1)[NH+](CC)CC ZINC001192325588 1367752095 /nfs/dbraw/zinc/75/20/95/1367752095.db2.gz MAYWGDZHOKSSAK-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192324512 1367752230 /nfs/dbraw/zinc/75/22/30/1367752230.db2.gz GSVJCQABTUDGDM-MCBHFWOFSA-N 2 1 337.552 3.386 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1)[NH+](CC)CC ZINC001192324872 1367752297 /nfs/dbraw/zinc/75/22/97/1367752297.db2.gz ISHCLQFENNUBSD-MSOLQXFVSA-N 2 1 339.568 3.466 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001192325697 1367753004 /nfs/dbraw/zinc/75/30/04/1367753004.db2.gz MPQQZSQPADFIQZ-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001192366643 1367764041 /nfs/dbraw/zinc/76/40/41/1367764041.db2.gz APOCRQRXTABBPC-HXUWFJFHSA-N 2 1 345.531 3.127 20 0 EGADMP C[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001192656407 1367843348 /nfs/dbraw/zinc/84/33/48/1367843348.db2.gz RZZTZJAZQFSNQW-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192656962 1367844209 /nfs/dbraw/zinc/84/42/09/1367844209.db2.gz VYCMVUUALMZVGK-RTBURBONSA-N 2 1 337.552 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)C ZINC001110626717 1367874996 /nfs/dbraw/zinc/87/49/96/1367874996.db2.gz NIVKROSTLJLXHK-AKHDSKFASA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)C ZINC001110626717 1367874997 /nfs/dbraw/zinc/87/49/97/1367874997.db2.gz NIVKROSTLJLXHK-AKHDSKFASA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C ZINC001110626717 1367875002 /nfs/dbraw/zinc/87/50/02/1367875002.db2.gz NIVKROSTLJLXHK-AKHDSKFASA-N 2 1 335.536 3.019 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001110626447 1367875096 /nfs/dbraw/zinc/87/50/96/1367875096.db2.gz BGFZIEBSKOJVBL-CQELEZKQSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001110626447 1367875102 /nfs/dbraw/zinc/87/51/02/1367875102.db2.gz BGFZIEBSKOJVBL-CQELEZKQSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001110626447 1367875107 /nfs/dbraw/zinc/87/51/07/1367875107.db2.gz BGFZIEBSKOJVBL-CQELEZKQSA-N 2 1 347.547 3.329 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CCCCC)C1 ZINC001192907208 1367901808 /nfs/dbraw/zinc/90/18/08/1367901808.db2.gz UIPAWGKKNNLRNE-SFHVURJKSA-N 2 1 325.541 3.221 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CCCCC)C1 ZINC001192907208 1367901802 /nfs/dbraw/zinc/90/18/02/1367901802.db2.gz UIPAWGKKNNLRNE-SFHVURJKSA-N 2 1 325.541 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CCCCC)C1 ZINC001192907208 1367901804 /nfs/dbraw/zinc/90/18/04/1367901804.db2.gz UIPAWGKKNNLRNE-SFHVURJKSA-N 2 1 325.541 3.221 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1)C(C)C ZINC001192917653 1367904371 /nfs/dbraw/zinc/90/43/71/1367904371.db2.gz PVNTUKRHCANMRJ-ZWKOTPCHSA-N 2 1 343.531 3.025 20 0 EGADMP CC[C@H]1C[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@@H]1O ZINC001193000314 1367920684 /nfs/dbraw/zinc/92/06/84/1367920684.db2.gz BOROACNQTYMHRC-SFTDATJTSA-N 2 1 330.516 3.034 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001110684800 1367926235 /nfs/dbraw/zinc/92/62/35/1367926235.db2.gz ZIEGHHTXOOPSHP-TVFCKZIOSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001110684800 1367926238 /nfs/dbraw/zinc/92/62/38/1367926238.db2.gz ZIEGHHTXOOPSHP-TVFCKZIOSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001110684800 1367926239 /nfs/dbraw/zinc/92/62/39/1367926239.db2.gz ZIEGHHTXOOPSHP-TVFCKZIOSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001110753999 1367961173 /nfs/dbraw/zinc/96/11/73/1367961173.db2.gz DBROXUCZORGKKW-ZRNYENFQSA-N 2 1 349.563 3.409 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001110753999 1367961179 /nfs/dbraw/zinc/96/11/79/1367961179.db2.gz DBROXUCZORGKKW-ZRNYENFQSA-N 2 1 349.563 3.409 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001110753999 1367961183 /nfs/dbraw/zinc/96/11/83/1367961183.db2.gz DBROXUCZORGKKW-ZRNYENFQSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408264 1368019803 /nfs/dbraw/zinc/01/98/03/1368019803.db2.gz HDXGTSFUDAQSAD-TZIWHRDSSA-N 2 1 345.531 3.042 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571549 1368063805 /nfs/dbraw/zinc/06/38/05/1368063805.db2.gz TZJBECUZECLDJI-MOPGFXCFSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001193610456 1368073991 /nfs/dbraw/zinc/07/39/91/1368073991.db2.gz PHYXYTPLDWPAOR-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001193610456 1368073996 /nfs/dbraw/zinc/07/39/96/1368073996.db2.gz PHYXYTPLDWPAOR-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001193610456 1368073999 /nfs/dbraw/zinc/07/39/99/1368073999.db2.gz PHYXYTPLDWPAOR-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001193610464 1368074089 /nfs/dbraw/zinc/07/40/89/1368074089.db2.gz PIJZHRYTNWVUQN-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001193610464 1368074093 /nfs/dbraw/zinc/07/40/93/1368074093.db2.gz PIJZHRYTNWVUQN-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001193610464 1368074095 /nfs/dbraw/zinc/07/40/95/1368074095.db2.gz PIJZHRYTNWVUQN-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001111018278 1368143661 /nfs/dbraw/zinc/14/36/61/1368143661.db2.gz PEBMBCSELYLKGK-XPISTHTLSA-N 2 1 335.536 3.185 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC(C)(C)C)CC1 ZINC001111180881 1368181785 /nfs/dbraw/zinc/18/17/85/1368181785.db2.gz SNZFXSNAZTWBJN-QRVBRYPASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001194274383 1368221398 /nfs/dbraw/zinc/22/13/98/1368221398.db2.gz HHPCYBIDYMAZHO-MSOLQXFVSA-N 2 1 337.552 3.076 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194430059 1368260455 /nfs/dbraw/zinc/26/04/55/1368260455.db2.gz RCVJKWDLBHIJSA-HMECNJMJSA-N 2 1 335.536 3.142 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](C)CC(C)C ZINC001111307201 1368261685 /nfs/dbraw/zinc/26/16/85/1368261685.db2.gz BTDDESISKHJWNP-MKXGPGLRSA-N 2 1 337.552 3.122 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](C)CC(C)C ZINC001111307201 1368261688 /nfs/dbraw/zinc/26/16/88/1368261688.db2.gz BTDDESISKHJWNP-MKXGPGLRSA-N 2 1 337.552 3.122 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CC(C)C ZINC001111307201 1368261693 /nfs/dbraw/zinc/26/16/93/1368261693.db2.gz BTDDESISKHJWNP-MKXGPGLRSA-N 2 1 337.552 3.122 20 0 EGADMP FC(F)Oc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c(OC(F)F)c1 ZINC001325321713 1387933770 /nfs/dbraw/zinc/93/37/70/1387933770.db2.gz YSWGYZJZFCSUMF-NSHDSACASA-N 2 1 336.329 3.121 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001111778606 1368457703 /nfs/dbraw/zinc/45/77/03/1368457703.db2.gz GMTOJVGLXGDWPA-PXNSSMCTSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001111778606 1368457709 /nfs/dbraw/zinc/45/77/09/1368457709.db2.gz GMTOJVGLXGDWPA-PXNSSMCTSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC=C(C)C)C2)[NH+](CC)CC ZINC001111870038 1368516971 /nfs/dbraw/zinc/51/69/71/1368516971.db2.gz XVPLZRPDBFATGI-BJLQDIEVSA-N 2 1 335.536 3.044 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCCCC1)C2 ZINC001111909647 1368550566 /nfs/dbraw/zinc/55/05/66/1368550566.db2.gz HMOQREMDCAOWLS-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196163667 1368559730 /nfs/dbraw/zinc/55/97/30/1368559730.db2.gz RJPAPBFNGGZEAO-YADGQWAMSA-N 2 1 347.547 3.284 20 0 EGADMP CC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001196163667 1368559733 /nfs/dbraw/zinc/55/97/33/1368559733.db2.gz RJPAPBFNGGZEAO-YADGQWAMSA-N 2 1 347.547 3.284 20 0 EGADMP CC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001196163667 1368559736 /nfs/dbraw/zinc/55/97/36/1368559736.db2.gz RJPAPBFNGGZEAO-YADGQWAMSA-N 2 1 347.547 3.284 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947674 1368570598 /nfs/dbraw/zinc/57/05/98/1368570598.db2.gz VBSUSYJDTFZUHJ-ICSRJNTNSA-N 2 1 337.552 3.269 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004472 1368608356 /nfs/dbraw/zinc/60/83/56/1368608356.db2.gz DPQYOBOFPQAXRR-CKXGLSNISA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112020653 1368623170 /nfs/dbraw/zinc/62/31/70/1368623170.db2.gz RWUSIDSKCGBGHW-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001197330595 1368789148 /nfs/dbraw/zinc/78/91/48/1368789148.db2.gz CCUIWKLUMGJKTR-HMECNJMJSA-N 2 1 335.536 3.142 20 0 EGADMP CCc1ccc(C[NH+]2CCN(CC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC001197349972 1368794261 /nfs/dbraw/zinc/79/42/61/1368794261.db2.gz MYXVNECILFDGTP-BGYRXZFFSA-N 2 1 343.559 3.345 20 0 EGADMP CCc1ccc(C[NH+]2CCN(CC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC001197349972 1368794265 /nfs/dbraw/zinc/79/42/65/1368794265.db2.gz MYXVNECILFDGTP-BGYRXZFFSA-N 2 1 343.559 3.345 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001197448338 1368816972 /nfs/dbraw/zinc/81/69/72/1368816972.db2.gz VXCAMTFBJZQUMP-UHFFFAOYSA-N 2 1 345.531 3.476 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197477962 1368822883 /nfs/dbraw/zinc/82/28/83/1368822883.db2.gz RAFLTARYFHCSEU-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001197659688 1368865711 /nfs/dbraw/zinc/86/57/11/1368865711.db2.gz PTQNTQUGLPPTAB-SREVYHEPSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001197809513 1368903245 /nfs/dbraw/zinc/90/32/45/1368903245.db2.gz BRPXLAKXQFJGIL-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001197899416 1368921634 /nfs/dbraw/zinc/92/16/34/1368921634.db2.gz XZOOXWTYFIBUHE-GOSISDBHSA-N 2 1 331.504 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@H](C)c2ccccc2)CC1 ZINC001197899416 1368921637 /nfs/dbraw/zinc/92/16/37/1368921637.db2.gz XZOOXWTYFIBUHE-GOSISDBHSA-N 2 1 331.504 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@H+]([C@H](C)c2ccccc2)CC1 ZINC001197899416 1368921642 /nfs/dbraw/zinc/92/16/42/1368921642.db2.gz XZOOXWTYFIBUHE-GOSISDBHSA-N 2 1 331.504 3.014 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[NH+]([C@H](C)c2cc(C)ccc2C)CC1 ZINC001197922989 1368924685 /nfs/dbraw/zinc/92/46/85/1368924685.db2.gz YGCJVEZJITXADW-LJQANCHMSA-N 2 1 345.531 3.241 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[N@@H+]([C@H](C)c2cc(C)ccc2C)CC1 ZINC001197922989 1368924686 /nfs/dbraw/zinc/92/46/86/1368924686.db2.gz YGCJVEZJITXADW-LJQANCHMSA-N 2 1 345.531 3.241 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC001197922020 1368924771 /nfs/dbraw/zinc/92/47/71/1368924771.db2.gz HTCAGYXZHIKTRW-LJQANCHMSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[N@@H+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC001197922020 1368924775 /nfs/dbraw/zinc/92/47/75/1368924775.db2.gz HTCAGYXZHIKTRW-LJQANCHMSA-N 2 1 349.494 3.153 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198136416 1368966730 /nfs/dbraw/zinc/96/67/30/1368966730.db2.gz QZKQFQCAFDKQSX-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001198259469 1368991444 /nfs/dbraw/zinc/99/14/44/1368991444.db2.gz MCTOWILEHUEIBI-OVKVCFKUSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001198259469 1368991446 /nfs/dbraw/zinc/99/14/46/1368991446.db2.gz MCTOWILEHUEIBI-OVKVCFKUSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001198259469 1368991452 /nfs/dbraw/zinc/99/14/52/1368991452.db2.gz MCTOWILEHUEIBI-OVKVCFKUSA-N 2 1 335.536 3.142 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+]2CCCN(C(=O)C[N@H+](C)C(C)C)CC2)c1 ZINC001198283288 1368997489 /nfs/dbraw/zinc/99/74/89/1368997489.db2.gz SPLRCLSIRFXWJF-LJQANCHMSA-N 2 1 345.531 3.239 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@@H+]2CCCN(C(=O)C[NH+](C)C(C)C)CC2)c1 ZINC001198283288 1368997492 /nfs/dbraw/zinc/99/74/92/1368997492.db2.gz SPLRCLSIRFXWJF-LJQANCHMSA-N 2 1 345.531 3.239 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+]2CCCN(C(=O)C[NH+](C)C(C)C)CC2)c1 ZINC001198283288 1368997496 /nfs/dbraw/zinc/99/74/96/1368997496.db2.gz SPLRCLSIRFXWJF-LJQANCHMSA-N 2 1 345.531 3.239 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186596823 1387979194 /nfs/dbraw/zinc/97/91/94/1387979194.db2.gz AUICMBGHYDPDLN-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001186605565 1387984108 /nfs/dbraw/zinc/98/41/08/1387984108.db2.gz PVDNJMMUXJDZJO-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001200578029 1369393879 /nfs/dbraw/zinc/39/38/79/1369393879.db2.gz KCSCODQETIAIJC-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001200578562 1369394085 /nfs/dbraw/zinc/39/40/85/1369394085.db2.gz XFPZPWPCSJDLFX-SRXMEYSWSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001113439506 1369430047 /nfs/dbraw/zinc/43/00/47/1369430047.db2.gz DDXZMGLSECACPT-CSKARUKUSA-N 2 1 337.552 3.389 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001113439506 1369430049 /nfs/dbraw/zinc/43/00/49/1369430049.db2.gz DDXZMGLSECACPT-CSKARUKUSA-N 2 1 337.552 3.389 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053328 1369472998 /nfs/dbraw/zinc/47/29/98/1369472998.db2.gz OMQPFVHXSUWGCB-PYTPGESOSA-N 2 1 344.503 3.088 20 0 EGADMP c1cc(C[N@@H+]2CCOC3(CC[NH+](C[C@@H]4CC=CCC4)CC3)C2)co1 ZINC001201412213 1369540018 /nfs/dbraw/zinc/54/00/18/1369540018.db2.gz VATDEQCIDLVFOT-GOSISDBHSA-N 2 1 330.472 3.303 20 0 EGADMP c1cc(C[N@H+]2CCOC3(CC[NH+](C[C@@H]4CC=CCC4)CC3)C2)co1 ZINC001201412213 1369540020 /nfs/dbraw/zinc/54/00/20/1369540020.db2.gz VATDEQCIDLVFOT-GOSISDBHSA-N 2 1 330.472 3.303 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](CCCC(C)C)CC2)o1 ZINC001113716471 1369583277 /nfs/dbraw/zinc/58/32/77/1369583277.db2.gz CXADIBKJRPSSFN-UHFFFAOYSA-N 2 1 349.519 3.315 20 0 EGADMP CSCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001201690047 1369606468 /nfs/dbraw/zinc/60/64/68/1369606468.db2.gz OVPMRSNBUMLRMI-YTQUADARSA-N 2 1 333.545 3.367 20 0 EGADMP CSCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001201690047 1369606470 /nfs/dbraw/zinc/60/64/70/1369606470.db2.gz OVPMRSNBUMLRMI-YTQUADARSA-N 2 1 333.545 3.367 20 0 EGADMP CSCCC[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001201690047 1369606472 /nfs/dbraw/zinc/60/64/72/1369606472.db2.gz OVPMRSNBUMLRMI-YTQUADARSA-N 2 1 333.545 3.367 20 0 EGADMP CSCCC[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001201690047 1369606475 /nfs/dbraw/zinc/60/64/75/1369606475.db2.gz OVPMRSNBUMLRMI-YTQUADARSA-N 2 1 333.545 3.367 20 0 EGADMP CCCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001201747058 1369615503 /nfs/dbraw/zinc/61/55/03/1369615503.db2.gz SYNFFYUQIIXRTG-AABGKKOBSA-N 2 1 345.535 3.033 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001202139060 1369699090 /nfs/dbraw/zinc/69/90/90/1369699090.db2.gz LUQVLWKKMBCCEM-FQEVSTJZSA-N 2 1 343.515 3.327 20 0 EGADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CC1CCC1)CC2 ZINC001202721950 1369866289 /nfs/dbraw/zinc/86/62/89/1369866289.db2.gz KOHPQAXPMSRELK-HXUWFJFHSA-N 2 1 343.515 3.185 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCCC(C)C)C1)c1ccccc1 ZINC001187034756 1388043203 /nfs/dbraw/zinc/04/32/03/1388043203.db2.gz NJCAEUSFIJXTJY-UXHICEINSA-N 2 1 345.531 3.306 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C12CCC2)C1CCC1 ZINC001203044574 1369965307 /nfs/dbraw/zinc/96/53/07/1369965307.db2.gz MTYNZYLWGUVTQO-MOPGFXCFSA-N 2 1 347.547 3.068 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+][C@H](C)c2cc(C)ccc2C)CC1 ZINC001203214748 1370028019 /nfs/dbraw/zinc/02/80/19/1370028019.db2.gz OHRLNOOUWUMIDQ-GOSISDBHSA-N 2 1 345.531 3.287 20 0 EGADMP CCc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)on1 ZINC001203219960 1370029728 /nfs/dbraw/zinc/02/97/28/1370029728.db2.gz PFEWZFIDIQDNJM-UHFFFAOYSA-N 2 1 340.471 3.120 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccco3)C[C@H]21 ZINC001203278177 1370057659 /nfs/dbraw/zinc/05/76/59/1370057659.db2.gz DZRJOWNCQFVZRT-NSISKUIASA-N 2 1 325.456 3.407 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccco3)C[C@H]21 ZINC001203278177 1370057663 /nfs/dbraw/zinc/05/76/63/1370057663.db2.gz DZRJOWNCQFVZRT-NSISKUIASA-N 2 1 325.456 3.407 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccco3)C[C@H]21 ZINC001203278177 1370057669 /nfs/dbraw/zinc/05/76/69/1370057669.db2.gz DZRJOWNCQFVZRT-NSISKUIASA-N 2 1 325.456 3.407 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccco3)C[C@H]21 ZINC001203278177 1370057673 /nfs/dbraw/zinc/05/76/73/1370057673.db2.gz DZRJOWNCQFVZRT-NSISKUIASA-N 2 1 325.456 3.407 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC001203278177 1370057676 /nfs/dbraw/zinc/05/76/76/1370057676.db2.gz DZRJOWNCQFVZRT-NSISKUIASA-N 2 1 325.456 3.407 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccco3)C[C@H]21 ZINC001203278177 1370057681 /nfs/dbraw/zinc/05/76/81/1370057681.db2.gz DZRJOWNCQFVZRT-NSISKUIASA-N 2 1 325.456 3.407 20 0 EGADMP CCCCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001203283902 1370061973 /nfs/dbraw/zinc/06/19/73/1370061973.db2.gz WVSUDLMWXWOZOQ-LJQANCHMSA-N 2 1 337.552 3.412 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccc(CC)cc2)CC1 ZINC001203443560 1370128754 /nfs/dbraw/zinc/12/87/54/1370128754.db2.gz WRXMVNZICQZVDM-UHFFFAOYSA-N 2 1 345.531 3.062 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC3=CCCCC3)C[C@H]21 ZINC001114984217 1370191326 /nfs/dbraw/zinc/19/13/26/1370191326.db2.gz AEOUXLZWXNIZAO-KXTWHKPSSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21 ZINC001114984217 1370191331 /nfs/dbraw/zinc/19/13/31/1370191331.db2.gz AEOUXLZWXNIZAO-KXTWHKPSSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21 ZINC001114984217 1370191333 /nfs/dbraw/zinc/19/13/33/1370191333.db2.gz AEOUXLZWXNIZAO-KXTWHKPSSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203651918 1370202374 /nfs/dbraw/zinc/20/23/74/1370202374.db2.gz QPDKEWJUZOIPOC-JKCVZHOFSA-N 2 1 335.536 3.092 20 0 EGADMP Fc1cccc(F)c1C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001204201907 1370406382 /nfs/dbraw/zinc/40/63/82/1370406382.db2.gz JFILQOAUJMEMQR-SJORKVTESA-N 2 1 343.421 3.314 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCc3c(O)cccc3C2)cc1 ZINC001204263059 1370425105 /nfs/dbraw/zinc/42/51/05/1370425105.db2.gz FKFNNIIJYKTWTC-UHFFFAOYSA-N 2 1 340.467 3.281 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCc3c(O)cccc3C2)cc1 ZINC001204263059 1370425110 /nfs/dbraw/zinc/42/51/10/1370425110.db2.gz FKFNNIIJYKTWTC-UHFFFAOYSA-N 2 1 340.467 3.281 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@@](C)(CO)CC2)cc1 ZINC001204264378 1370426176 /nfs/dbraw/zinc/42/61/76/1370426176.db2.gz UXQBCEZIFCQEDO-HXUWFJFHSA-N 2 1 334.504 3.002 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCCCC1 ZINC001115450668 1370459338 /nfs/dbraw/zinc/45/93/38/1370459338.db2.gz JEEGUQUWOOXFSS-GOSISDBHSA-N 2 1 347.547 3.070 20 0 EGADMP CNc1ccc(C)cc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001204422916 1370472908 /nfs/dbraw/zinc/47/29/08/1370472908.db2.gz USGNIWPNIVFLBV-RTBURBONSA-N 2 1 344.547 3.027 20 0 EGADMP c1csc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001204548713 1370511470 /nfs/dbraw/zinc/51/14/70/1370511470.db2.gz AWNRPJXTIAGMDV-QZTJIDSGSA-N 2 1 327.497 3.487 20 0 EGADMP c1csc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001204548713 1370511473 /nfs/dbraw/zinc/51/14/73/1370511473.db2.gz AWNRPJXTIAGMDV-QZTJIDSGSA-N 2 1 327.497 3.487 20 0 EGADMP c1csc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001204548713 1370511479 /nfs/dbraw/zinc/51/14/79/1370511479.db2.gz AWNRPJXTIAGMDV-QZTJIDSGSA-N 2 1 327.497 3.487 20 0 EGADMP c1csc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001204548713 1370511485 /nfs/dbraw/zinc/51/14/85/1370511485.db2.gz AWNRPJXTIAGMDV-QZTJIDSGSA-N 2 1 327.497 3.487 20 0 EGADMP Cc1nn(C)cc1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001204581338 1370522920 /nfs/dbraw/zinc/52/29/20/1370522920.db2.gz WGCMPNYRUMUFTR-UHFFFAOYSA-N 2 1 344.528 3.278 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC001115535358 1370532247 /nfs/dbraw/zinc/53/22/47/1370532247.db2.gz SOHQQPBHLSCXFZ-BPLPYTOXSA-N 2 1 341.927 3.020 20 0 EGADMP CCC[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CCCCC1 ZINC001115545155 1370541745 /nfs/dbraw/zinc/54/17/45/1370541745.db2.gz UAOPIXIWUQRBOT-MRXNPFEDSA-N 2 1 334.508 3.215 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115579253 1370582717 /nfs/dbraw/zinc/58/27/17/1370582717.db2.gz DTYMXUOIKAYLSJ-IBGZPJMESA-N 2 1 349.563 3.460 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579435 1370583124 /nfs/dbraw/zinc/58/31/24/1370583124.db2.gz NYXORBXMFFSIOD-GOSISDBHSA-N 2 1 337.552 3.316 20 0 EGADMP CCOc1ccc(Br)c(C[NH+]2CCC(C[NH3+])CC2)c1F ZINC001205058899 1370639453 /nfs/dbraw/zinc/63/94/53/1370639453.db2.gz XTAZFHPGZCHDCE-UHFFFAOYSA-N 2 1 345.256 3.158 20 0 EGADMP C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1ccc2cc(Br)cnc2c1 ZINC001205083695 1370645180 /nfs/dbraw/zinc/64/51/80/1370645180.db2.gz YGHCMNZJGKIXCM-NHYWBVRUSA-N 2 1 334.261 3.309 20 0 EGADMP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1ccc2cc(Br)cnc2c1 ZINC001205083695 1370645183 /nfs/dbraw/zinc/64/51/83/1370645183.db2.gz YGHCMNZJGKIXCM-NHYWBVRUSA-N 2 1 334.261 3.309 20 0 EGADMP C[C@H](c1nccc2ccccc21)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001205163249 1370667334 /nfs/dbraw/zinc/66/73/34/1370667334.db2.gz XXMYCPBYOIPUFB-GOSISDBHSA-N 2 1 338.499 3.009 20 0 EGADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)ccc1F ZINC001205172466 1370670587 /nfs/dbraw/zinc/67/05/87/1370670587.db2.gz RWOSPLWIHZUTAU-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)ccc1F ZINC001205172466 1370670590 /nfs/dbraw/zinc/67/05/90/1370670590.db2.gz RWOSPLWIHZUTAU-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)ccc1F ZINC001205172466 1370670594 /nfs/dbraw/zinc/67/05/94/1370670594.db2.gz RWOSPLWIHZUTAU-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)ccc1F ZINC001205172466 1370670597 /nfs/dbraw/zinc/67/05/97/1370670597.db2.gz RWOSPLWIHZUTAU-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP COc1ccc(-c2cccc(C[N@H+]3CCC[C@](O)(C[NH3+])CC3)c2)cc1 ZINC001205219438 1370685205 /nfs/dbraw/zinc/68/52/05/1370685205.db2.gz CXXGHEMYWCJYTI-OAQYLSRUSA-N 2 1 340.467 3.038 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(F)c(Oc3ccccc3)c2)CC1 ZINC001205240455 1370691919 /nfs/dbraw/zinc/69/19/19/1370691919.db2.gz KTKSZWJXWGNGDI-FQEVSTJZSA-N 2 1 344.430 3.294 20 0 EGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3cc(Br)ncc23)CC1 ZINC001205280694 1370704490 /nfs/dbraw/zinc/70/44/90/1370704490.db2.gz GHDJYSCRILRTCQ-OAHLLOKOSA-N 2 1 337.265 3.029 20 0 EGADMP C[C@]1([NH3+])CCC[N@H+](Cc2cncc(OCc3ccccc3)c2)CC1 ZINC001205297062 1370711220 /nfs/dbraw/zinc/71/12/20/1370711220.db2.gz YHKFWRFUIYNLFW-FQEVSTJZSA-N 2 1 325.456 3.364 20 0 EGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)CC1 ZINC001205297062 1370711222 /nfs/dbraw/zinc/71/12/22/1370711222.db2.gz YHKFWRFUIYNLFW-FQEVSTJZSA-N 2 1 325.456 3.364 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115730253 1370713264 /nfs/dbraw/zinc/71/32/64/1370713264.db2.gz GVLVTFFBHRBEES-PKOBYXMFSA-N 2 1 349.563 3.173 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2c[nH]c3c2cccc3Br)C[C@@H]1C[NH3+] ZINC001205305941 1370714767 /nfs/dbraw/zinc/71/47/67/1370714767.db2.gz UQIKKZDATNEDMB-NEPJUHHUSA-N 2 1 336.277 3.347 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205305962 1370714939 /nfs/dbraw/zinc/71/49/39/1370714939.db2.gz UYBPFXKUIROXSM-YPMHNXCESA-N 2 1 332.366 3.011 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205305962 1370714941 /nfs/dbraw/zinc/71/49/41/1370714941.db2.gz UYBPFXKUIROXSM-YPMHNXCESA-N 2 1 332.366 3.011 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCCCC1 ZINC001115754104 1370735441 /nfs/dbraw/zinc/73/54/41/1370735441.db2.gz QMBMTERIBVVFEQ-UHFFFAOYSA-N 2 1 348.535 3.461 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115772986 1370755587 /nfs/dbraw/zinc/75/55/87/1370755587.db2.gz DXZNJUABKPLYBG-UHFFFAOYSA-N 2 1 346.519 3.181 20 0 EGADMP CCCCCC[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCCCC1 ZINC001115806336 1370789543 /nfs/dbraw/zinc/78/95/43/1370789543.db2.gz UCIQSCGKMYDNHR-UHFFFAOYSA-N 2 1 325.541 3.317 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001205570239 1370795409 /nfs/dbraw/zinc/79/54/09/1370795409.db2.gz HMIYPANBDNAZHD-ZDUSSCGKSA-N 2 1 339.764 3.407 20 0 EGADMP CCOC(OCC)c1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001205578394 1370798116 /nfs/dbraw/zinc/79/81/16/1370798116.db2.gz AUKYONVXHJSYQJ-IBGZPJMESA-N 2 1 338.467 3.411 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CC1 ZINC001205578926 1370798440 /nfs/dbraw/zinc/79/84/40/1370798440.db2.gz KGOHSZOZTBEJPL-QGZVFWFLSA-N 2 1 336.842 3.179 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(-c2ccccc2)cn1 ZINC001205591133 1370802918 /nfs/dbraw/zinc/80/29/18/1370802918.db2.gz FFLQGLRQFHNCSL-HXUWFJFHSA-N 2 1 343.446 3.410 20 0 EGADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(Cl)c1 ZINC001205637808 1370821901 /nfs/dbraw/zinc/82/19/01/1370821901.db2.gz IXGLKSNPZVHBFE-HIFRSBDPSA-N 2 1 338.879 3.324 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CC[C@H]1C[NH3+] ZINC001205638729 1370822544 /nfs/dbraw/zinc/82/25/44/1370822544.db2.gz RJIOKMYAZANBQL-OLZOCXBDSA-N 2 1 334.414 3.162 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205651913 1370828610 /nfs/dbraw/zinc/82/86/10/1370828610.db2.gz LQWVJQMBTKWTAG-GDBMZVCRSA-N 2 1 332.879 3.333 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)CC[C@H]1C[NH3+] ZINC001205652684 1370828830 /nfs/dbraw/zinc/82/88/30/1370828830.db2.gz QQBCYVDWPCRXTP-ZJUUUORDSA-N 2 1 342.274 3.023 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC001116293476 1370880233 /nfs/dbraw/zinc/88/02/33/1370880233.db2.gz REUSFDFYUYGFIG-HZPDHXFCSA-N 2 1 331.460 3.026 20 0 EGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001116505720 1370926015 /nfs/dbraw/zinc/92/60/15/1370926015.db2.gz PVPIQWGBZDKFEJ-GQGLESIBSA-N 2 1 339.524 3.285 20 0 EGADMP C[C@H]1C[N@@H+](CCc2ccc(Br)cc2)CCC[C@@H]1C[NH3+] ZINC001205981904 1370929481 /nfs/dbraw/zinc/92/94/81/1370929481.db2.gz IWLQAUMFYIUIJD-DZGCQCFKSA-N 2 1 325.294 3.298 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC001205985311 1370930033 /nfs/dbraw/zinc/93/00/33/1370930033.db2.gz XBAXOVPOHCJRSH-APWZRJJASA-N 2 1 332.488 3.103 20 0 EGADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC001326035129 1388103212 /nfs/dbraw/zinc/10/32/12/1388103212.db2.gz FRRDUARKZJINTR-BXUZGUMPSA-N 2 1 327.266 3.250 20 0 EGADMP Cc1nc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(Br)s1 ZINC001206012631 1370937691 /nfs/dbraw/zinc/93/76/91/1370937691.db2.gz NFELKKFBNFBSDC-MWLCHTKSSA-N 2 1 332.311 3.021 20 0 EGADMP Cc1nc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(Br)s1 ZINC001206012631 1370937694 /nfs/dbraw/zinc/93/76/94/1370937694.db2.gz NFELKKFBNFBSDC-MWLCHTKSSA-N 2 1 332.311 3.021 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(Cl)c(Br)n2)CCC[C@H]1C[NH3+] ZINC001206012786 1370938373 /nfs/dbraw/zinc/93/83/73/1370938373.db2.gz NVLZXCDZMILFDE-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(Br)n2)CCC[C@H]1C[NH3+] ZINC001206012786 1370938378 /nfs/dbraw/zinc/93/83/78/1370938378.db2.gz NVLZXCDZMILFDE-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1Br ZINC001206013825 1370938959 /nfs/dbraw/zinc/93/89/59/1370938959.db2.gz ULFIONGZOKNMRJ-OCCSQVGLSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CCC[C@H]1C[NH3+] ZINC001206023197 1370941363 /nfs/dbraw/zinc/94/13/63/1370941363.db2.gz DOGONAJMVDRFTA-ZBFHGGJFSA-N 2 1 332.879 3.333 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1Br ZINC001206025551 1370941774 /nfs/dbraw/zinc/94/17/74/1370941774.db2.gz OBXBDALFOSLRFF-STQMWFEESA-N 2 1 341.293 3.265 20 0 EGADMP C[C@H]1C[N@H+](Cc2ncc(Cl)cc2Br)CCC[C@@H]1C[NH3+] ZINC001206025676 1370942096 /nfs/dbraw/zinc/94/20/96/1370942096.db2.gz OWNPEBGVYUGEDL-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ncc(Cl)cc2Br)CCC[C@@H]1C[NH3+] ZINC001206025676 1370942098 /nfs/dbraw/zinc/94/20/98/1370942098.db2.gz OWNPEBGVYUGEDL-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP COc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)n2)cc1 ZINC001206175454 1370980765 /nfs/dbraw/zinc/98/07/65/1370980765.db2.gz VKKRABIZOPBMKE-ROUUACIJSA-N 2 1 329.419 3.018 20 0 EGADMP COc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)n2)cc1 ZINC001206175454 1370980771 /nfs/dbraw/zinc/98/07/71/1370980771.db2.gz VKKRABIZOPBMKE-ROUUACIJSA-N 2 1 329.419 3.018 20 0 EGADMP COc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)n2)cc1 ZINC001206175456 1370981011 /nfs/dbraw/zinc/98/10/11/1370981011.db2.gz VKKRABIZOPBMKE-ZWKOTPCHSA-N 2 1 329.419 3.018 20 0 EGADMP COc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)n2)cc1 ZINC001206175456 1370981014 /nfs/dbraw/zinc/98/10/14/1370981014.db2.gz VKKRABIZOPBMKE-ZWKOTPCHSA-N 2 1 329.419 3.018 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001206307525 1371016927 /nfs/dbraw/zinc/01/69/27/1371016927.db2.gz KHMZLKQPXBWQHM-UHFFFAOYSA-N 2 1 339.568 3.373 20 0 EGADMP Cc1nc(Br)ccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206319163 1371020217 /nfs/dbraw/zinc/02/02/17/1371020217.db2.gz YUPGBNBELGCNPV-OAHLLOKOSA-N 2 1 326.282 3.103 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(OC)c1Cl ZINC001206337152 1371026422 /nfs/dbraw/zinc/02/64/22/1371026422.db2.gz QWAZRQKHTZXVGS-QGZVFWFLSA-N 2 1 326.868 3.308 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H]1C ZINC001117714878 1371067789 /nfs/dbraw/zinc/06/77/89/1371067789.db2.gz PGDFKDASJQOBSL-DFQSSKMNSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC001117714878 1371067793 /nfs/dbraw/zinc/06/77/93/1371067793.db2.gz PGDFKDASJQOBSL-DFQSSKMNSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC001117714878 1371067796 /nfs/dbraw/zinc/06/77/96/1371067796.db2.gz PGDFKDASJQOBSL-DFQSSKMNSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206481777 1371068734 /nfs/dbraw/zinc/06/87/34/1371068734.db2.gz KXJXNYXGGBORTL-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP COc1ncccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001206575037 1371097485 /nfs/dbraw/zinc/09/74/85/1371097485.db2.gz DFCSWCAVTDQZPO-UHFFFAOYSA-N 2 1 341.455 3.171 20 0 EGADMP CCOC(=O)c1ccc2c(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)c[nH]c2c1 ZINC001206583694 1371100774 /nfs/dbraw/zinc/10/07/74/1371100774.db2.gz VFTVSDGUANEZJW-HXUWFJFHSA-N 2 1 343.471 3.296 20 0 EGADMP COC(=O)c1ccc2[nH]cc(C[N@@H+](C(C)C)[C@H]3CCC[NH2+]CC3)c2c1 ZINC001206590529 1371102381 /nfs/dbraw/zinc/10/23/81/1371102381.db2.gz NBEIHDSZKHSBRY-KRWDZBQOSA-N 2 1 343.471 3.307 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001206603570 1371105997 /nfs/dbraw/zinc/10/59/97/1371105997.db2.gz QWGXCDOHYNSRDJ-UHFFFAOYSA-N 2 1 348.535 3.236 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001206602723 1371106307 /nfs/dbraw/zinc/10/63/07/1371106307.db2.gz IXOYCEQRONIYQE-PLNGDYQASA-N 2 1 346.519 3.156 20 0 EGADMP COc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c(C(F)(F)F)c1OC ZINC001206641202 1371116378 /nfs/dbraw/zinc/11/63/78/1371116378.db2.gz UJOKIEWIRTVDOZ-LBPRGKRZSA-N 2 1 346.393 3.283 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(C(F)(F)F)c1OC ZINC001206641202 1371116383 /nfs/dbraw/zinc/11/63/83/1371116383.db2.gz UJOKIEWIRTVDOZ-LBPRGKRZSA-N 2 1 346.393 3.283 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206769278 1371158590 /nfs/dbraw/zinc/15/85/90/1371158590.db2.gz OANJKXJDKSJZNP-RYUDHWBXSA-N 2 1 332.366 3.153 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206769278 1371158592 /nfs/dbraw/zinc/15/85/92/1371158592.db2.gz OANJKXJDKSJZNP-RYUDHWBXSA-N 2 1 332.366 3.153 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206771809 1371160864 /nfs/dbraw/zinc/16/08/64/1371160864.db2.gz XTLDXMNVQFSEEW-NWDGAFQWSA-N 2 1 332.366 3.153 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206771809 1371160867 /nfs/dbraw/zinc/16/08/67/1371160867.db2.gz XTLDXMNVQFSEEW-NWDGAFQWSA-N 2 1 332.366 3.153 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001206890564 1371209427 /nfs/dbraw/zinc/20/94/27/1371209427.db2.gz XVSZTRKKDVYZIT-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001206890615 1371209717 /nfs/dbraw/zinc/20/97/17/1371209717.db2.gz ZYYGVKGPSMSKTK-SFHVURJKSA-N 2 1 345.531 3.226 20 0 EGADMP C[N@H+](Cc1cc[nH]c(=O)c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207124056 1371301165 /nfs/dbraw/zinc/30/11/65/1371301165.db2.gz JKSOLDSXYVGIGN-UHFFFAOYSA-N 2 1 325.456 3.131 20 0 EGADMP COc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(OC(F)F)c1 ZINC001326236784 1388131630 /nfs/dbraw/zinc/13/16/30/1388131630.db2.gz NYPDYSKIKHQJDK-UHFFFAOYSA-N 2 1 340.414 3.262 20 0 EGADMP C[NH+](C)CC(C)(C)CN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001207282284 1371350136 /nfs/dbraw/zinc/35/01/36/1371350136.db2.gz GKSJDNCLACCMKF-UHFFFAOYSA-N 2 1 329.532 3.097 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@@H]4CCCO[C@H]4C3)CC2)cc1 ZINC001207288956 1371351275 /nfs/dbraw/zinc/35/12/75/1371351275.db2.gz FJMKUIXTTXHLQX-SFTDATJTSA-N 2 1 328.500 3.400 20 0 EGADMP C[C@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC[C@]1(C)O ZINC001207287644 1371351884 /nfs/dbraw/zinc/35/18/84/1371351884.db2.gz VJWKWYBOBKNBCV-RXVVDRJESA-N 2 1 330.516 3.382 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCC4(C3)CCOCC4)CC2)cc1 ZINC001207290852 1371352621 /nfs/dbraw/zinc/35/26/21/1371352621.db2.gz HWKZAMATJUVXOE-UHFFFAOYSA-N 2 1 328.500 3.401 20 0 EGADMP CC(C)N1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC001207295106 1371354012 /nfs/dbraw/zinc/35/40/12/1371354012.db2.gz IXGKFBWUZFNNTR-IBGZPJMESA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[N@@H+]1CCN(CC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC001207295106 1371354022 /nfs/dbraw/zinc/35/40/22/1371354022.db2.gz IXGKFBWUZFNNTR-IBGZPJMESA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[N@H+]1CCN(CC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC001207295106 1371354026 /nfs/dbraw/zinc/35/40/26/1371354026.db2.gz IXGKFBWUZFNNTR-IBGZPJMESA-N 2 1 329.532 3.313 20 0 EGADMP CC1(C)C[C@H](C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CCO1 ZINC001207353288 1371370190 /nfs/dbraw/zinc/37/01/90/1371370190.db2.gz FJRLXXKGBKASEB-ZACQAIPSSA-N 2 1 334.529 3.317 20 0 EGADMP CC1(C)C[C@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CCO1 ZINC001207353288 1371370196 /nfs/dbraw/zinc/37/01/96/1371370196.db2.gz FJRLXXKGBKASEB-ZACQAIPSSA-N 2 1 334.529 3.317 20 0 EGADMP CC1(C)C[C@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)CCO1 ZINC001207353288 1371370203 /nfs/dbraw/zinc/37/02/03/1371370203.db2.gz FJRLXXKGBKASEB-ZACQAIPSSA-N 2 1 334.529 3.317 20 0 EGADMP CC1(C)C[C@H](C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)CCO1 ZINC001207353288 1371370205 /nfs/dbraw/zinc/37/02/05/1371370205.db2.gz FJRLXXKGBKASEB-ZACQAIPSSA-N 2 1 334.529 3.317 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)CC2CC[NH+](C)CC2)CC1 ZINC001207399893 1371385029 /nfs/dbraw/zinc/38/50/29/1371385029.db2.gz YNIJXMMEQXPXHB-IYARVYRRSA-N 2 1 338.536 3.410 20 0 EGADMP C[NH+]1CCC(C[NH+]2CCN([C@@H]3CCCc4ccccc43)CC2)CC1 ZINC001207399570 1371385274 /nfs/dbraw/zinc/38/52/74/1371385274.db2.gz MYWDNPRDCQQCSO-OAQYLSRUSA-N 2 1 327.516 3.023 20 0 EGADMP COC(=O)CCC[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC001207480228 1371408735 /nfs/dbraw/zinc/40/87/35/1371408735.db2.gz XMUWDTDIWHJMMN-UHFFFAOYSA-N 2 1 332.488 3.174 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCc1cccc(C)c1)C2 ZINC001207538414 1371429173 /nfs/dbraw/zinc/42/91/73/1371429173.db2.gz ZCSUNJJCKKXBFC-YADHBBJMSA-N 2 1 342.527 3.218 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCc1cccc(C)c1)C2 ZINC001207538414 1371429176 /nfs/dbraw/zinc/42/91/76/1371429176.db2.gz ZCSUNJJCKKXBFC-YADHBBJMSA-N 2 1 342.527 3.218 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCC1([NH2+]CCF)CCCCC1)c1ccccc1 ZINC001119993446 1371445822 /nfs/dbraw/zinc/44/58/22/1371445822.db2.gz KKOAJBJMSFRFFZ-GOSISDBHSA-N 2 1 349.494 3.058 20 0 EGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC001207605731 1371450522 /nfs/dbraw/zinc/45/05/22/1371450522.db2.gz TVHHWXNWFCGPDZ-FQEVSTJZSA-N 2 1 334.479 3.334 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC001207605731 1371450526 /nfs/dbraw/zinc/45/05/26/1371450526.db2.gz TVHHWXNWFCGPDZ-FQEVSTJZSA-N 2 1 334.479 3.334 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207617038 1371453047 /nfs/dbraw/zinc/45/30/47/1371453047.db2.gz MPAJQMMSVVTFRE-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001207617038 1371453050 /nfs/dbraw/zinc/45/30/50/1371453050.db2.gz MPAJQMMSVVTFRE-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001207617038 1371453053 /nfs/dbraw/zinc/45/30/53/1371453053.db2.gz MPAJQMMSVVTFRE-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCCC1 ZINC001120207950 1371505043 /nfs/dbraw/zinc/50/50/43/1371505043.db2.gz NNLIHLHUWDCLQT-UHFFFAOYSA-N 2 1 325.541 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC=C(C)C)CCCCC1 ZINC001120208450 1371505239 /nfs/dbraw/zinc/50/52/39/1371505239.db2.gz ZXWWCBDGVNVVAP-GOSISDBHSA-N 2 1 335.536 3.236 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)C[N@H+](C)Cc2ccccc2)CCCCC1 ZINC001120245639 1371512847 /nfs/dbraw/zinc/51/28/47/1371512847.db2.gz OLZMPGNOCPCISH-UHFFFAOYSA-N 2 1 345.531 3.183 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)C[N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001120245639 1371512850 /nfs/dbraw/zinc/51/28/50/1371512850.db2.gz OLZMPGNOCPCISH-UHFFFAOYSA-N 2 1 345.531 3.183 20 0 EGADMP Cc1ccc(CCC[NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3C2)o1 ZINC001207946337 1371545773 /nfs/dbraw/zinc/54/57/73/1371545773.db2.gz FPWLFURNADJMAH-UHFFFAOYSA-N 2 1 330.476 3.073 20 0 EGADMP Cc1ccc(CCC[NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3C2)o1 ZINC001207946337 1371545778 /nfs/dbraw/zinc/54/57/78/1371545778.db2.gz FPWLFURNADJMAH-UHFFFAOYSA-N 2 1 330.476 3.073 20 0 EGADMP Cc1ccc(CCC[N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3C2)o1 ZINC001207946337 1371545782 /nfs/dbraw/zinc/54/57/82/1371545782.db2.gz FPWLFURNADJMAH-UHFFFAOYSA-N 2 1 330.476 3.073 20 0 EGADMP Cc1ccc(CCC[N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3C2)o1 ZINC001207946337 1371545786 /nfs/dbraw/zinc/54/57/86/1371545786.db2.gz FPWLFURNADJMAH-UHFFFAOYSA-N 2 1 330.476 3.073 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001120391780 1371558295 /nfs/dbraw/zinc/55/82/95/1371558295.db2.gz GYDBSWPVELSTPF-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001120391780 1371558298 /nfs/dbraw/zinc/55/82/98/1371558298.db2.gz GYDBSWPVELSTPF-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001120391780 1371558300 /nfs/dbraw/zinc/55/83/00/1371558300.db2.gz GYDBSWPVELSTPF-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001120412049 1371564615 /nfs/dbraw/zinc/56/46/15/1371564615.db2.gz DFECTULDUWZOOO-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001208013892 1371568320 /nfs/dbraw/zinc/56/83/20/1371568320.db2.gz KWLBSNOMJFGVCL-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120423884 1371571504 /nfs/dbraw/zinc/57/15/04/1371571504.db2.gz XRGHCVZNJUGWCR-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC2=CCCCC2)C1 ZINC001120430562 1371574427 /nfs/dbraw/zinc/57/44/27/1371574427.db2.gz LTILGNSZZCWZRG-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001208073766 1371588308 /nfs/dbraw/zinc/58/83/08/1371588308.db2.gz OQMGZMBLQPXQFS-IAGOWNOFSA-N 2 1 348.535 3.413 20 0 EGADMP c1cnn(CCC[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001208084569 1371591122 /nfs/dbraw/zinc/59/11/22/1371591122.db2.gz UXRWMVHGLAMMGX-OAQYLSRUSA-N 2 1 338.499 3.261 20 0 EGADMP c1cnn(CCC[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001208084569 1371591128 /nfs/dbraw/zinc/59/11/28/1371591128.db2.gz UXRWMVHGLAMMGX-OAQYLSRUSA-N 2 1 338.499 3.261 20 0 EGADMP c1cnn(CCC[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001208084569 1371591131 /nfs/dbraw/zinc/59/11/31/1371591131.db2.gz UXRWMVHGLAMMGX-OAQYLSRUSA-N 2 1 338.499 3.261 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208114185 1371599938 /nfs/dbraw/zinc/59/99/38/1371599938.db2.gz TVAYGWLJYRNDTM-HZPDHXFCSA-N 2 1 339.524 3.096 20 0 EGADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2CC2(C)CC[NH+](C)CC2)cc1 ZINC001208115146 1371600395 /nfs/dbraw/zinc/60/03/95/1371600395.db2.gz FSVZUTIOOQVAAY-GOSISDBHSA-N 2 1 330.472 3.342 20 0 EGADMP CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208186659 1371625518 /nfs/dbraw/zinc/62/55/18/1371625518.db2.gz XTWORHTVRHZVBT-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208186659 1371625526 /nfs/dbraw/zinc/62/55/26/1371625526.db2.gz XTWORHTVRHZVBT-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208330952 1371720529 /nfs/dbraw/zinc/72/05/29/1371720529.db2.gz IDZKILKMQOKXPJ-HHOLJBISSA-N 2 1 347.547 3.330 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331724 1371721603 /nfs/dbraw/zinc/72/16/03/1371721603.db2.gz WLNKNZKROQSYKO-MOPGFXCFSA-N 2 1 337.552 3.410 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001208358698 1371732976 /nfs/dbraw/zinc/73/29/76/1371732976.db2.gz LZEONEUNWVTETH-WYNBNGFRSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001208453388 1371771753 /nfs/dbraw/zinc/77/17/53/1371771753.db2.gz GCVIBTJPLJHZIX-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208474166 1371781098 /nfs/dbraw/zinc/78/10/98/1371781098.db2.gz JIYNBMYIBFARLC-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCC[NH+]3CCC[C@@H]3C2)cc1 ZINC001208588696 1371829593 /nfs/dbraw/zinc/82/95/93/1371829593.db2.gz KPNKVKWRBBKURD-NHCUHLMSSA-N 2 1 327.516 3.211 20 0 EGADMP c1ccc(C[NH+]2CCCC[C@@H]2CN2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001208588696 1371829595 /nfs/dbraw/zinc/82/95/95/1371829595.db2.gz KPNKVKWRBBKURD-NHCUHLMSSA-N 2 1 327.516 3.211 20 0 EGADMP c1ccc(C[NH+]2CCCC[C@@H]2CN2CCC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001208588696 1371829598 /nfs/dbraw/zinc/82/95/98/1371829598.db2.gz KPNKVKWRBBKURD-NHCUHLMSSA-N 2 1 327.516 3.211 20 0 EGADMP C[N@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccc4ccccc4c3)CC2)C1 ZINC001208612037 1371839553 /nfs/dbraw/zinc/83/95/53/1371839553.db2.gz ABKVHLWDDIAIJI-HXUWFJFHSA-N 2 1 337.511 3.299 20 0 EGADMP C[N@H+]1CCC[C@H](CN2CCC[C@@]3(CC[NH+]3Cc3cccc(F)c3)C2)C1 ZINC001208609913 1371839576 /nfs/dbraw/zinc/83/95/76/1371839576.db2.gz XMGHONARGUQFOW-PZJWPPBQSA-N 2 1 345.506 3.208 20 0 EGADMP C[NH+]1CCC[C@H](CN2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)C1 ZINC001208609913 1371839579 /nfs/dbraw/zinc/83/95/79/1371839579.db2.gz XMGHONARGUQFOW-PZJWPPBQSA-N 2 1 345.506 3.208 20 0 EGADMP C[NH+]1CCC[C@H](CN2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)C1 ZINC001208609913 1371839585 /nfs/dbraw/zinc/83/95/85/1371839585.db2.gz XMGHONARGUQFOW-PZJWPPBQSA-N 2 1 345.506 3.208 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)C1 ZINC001208619436 1371844832 /nfs/dbraw/zinc/84/48/32/1371844832.db2.gz XNKVEBYPIHKWIV-MHORFTMASA-N 2 1 336.520 3.303 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)C1 ZINC001208619436 1371844836 /nfs/dbraw/zinc/84/48/36/1371844836.db2.gz XNKVEBYPIHKWIV-MHORFTMASA-N 2 1 336.520 3.303 20 0 EGADMP C[NH+]1CCC[C@H](C[N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)C1 ZINC001208619436 1371844839 /nfs/dbraw/zinc/84/48/39/1371844839.db2.gz XNKVEBYPIHKWIV-MHORFTMASA-N 2 1 336.520 3.303 20 0 EGADMP C[NH+]1CCC[C@H](C[N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)C1 ZINC001208619436 1371844846 /nfs/dbraw/zinc/84/48/46/1371844846.db2.gz XNKVEBYPIHKWIV-MHORFTMASA-N 2 1 336.520 3.303 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCOCCOCc2ccccc2)CC1 ZINC001208747506 1371882660 /nfs/dbraw/zinc/88/26/60/1371882660.db2.gz IJMIGUVFYWBRDP-UHFFFAOYSA-N 2 1 348.531 3.272 20 0 EGADMP CC[C@H](CCC(=O)OC)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208795801 1371898885 /nfs/dbraw/zinc/89/88/85/1371898885.db2.gz GMARRRHUMVGLQO-UYAOXDASSA-N 2 1 346.515 3.420 20 0 EGADMP CC[C@H](CCC(=O)OC)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208795801 1371898888 /nfs/dbraw/zinc/89/88/88/1371898888.db2.gz GMARRRHUMVGLQO-UYAOXDASSA-N 2 1 346.515 3.420 20 0 EGADMP CC[C@H](CCC(=O)OC)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208795801 1371898898 /nfs/dbraw/zinc/89/88/98/1371898898.db2.gz GMARRRHUMVGLQO-UYAOXDASSA-N 2 1 346.515 3.420 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001121247078 1371906911 /nfs/dbraw/zinc/90/69/11/1371906911.db2.gz XAJKQUIYDYNHEA-KZYAKZRFSA-N 2 1 349.563 3.170 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001121247077 1371907240 /nfs/dbraw/zinc/90/72/40/1371907240.db2.gz XAJKQUIYDYNHEA-GUYFDXGHSA-N 2 1 349.563 3.170 20 0 EGADMP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)C1 ZINC001121289584 1371923265 /nfs/dbraw/zinc/92/32/65/1371923265.db2.gz YQBPKQJIBKWWOA-JSMKSKOISA-N 2 1 347.547 3.066 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001121294982 1371926228 /nfs/dbraw/zinc/92/62/28/1371926228.db2.gz KHGYOIYMDABKHR-HXLZZXBHSA-N 2 1 347.547 3.234 20 0 EGADMP c1cncc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@H]2CCC=CO2)CC3)c1 ZINC001208883117 1371930600 /nfs/dbraw/zinc/93/06/00/1371930600.db2.gz DXIBKVYPIGRDNT-LJQANCHMSA-N 2 1 327.472 3.062 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CC[C@@H]([NH+]4CCCC4)C3)C2)cc1 ZINC001208934692 1371951635 /nfs/dbraw/zinc/95/16/35/1371951635.db2.gz FXKPVAJBAKKVKU-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC[C@]4(C3)CCCOC4)C2)cc1 ZINC001208940053 1371953510 /nfs/dbraw/zinc/95/35/10/1371953510.db2.gz OEAZXZRZHYRNSK-SFTDATJTSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC[C@]4(C3)CCCOC4)C2)cc1 ZINC001208940053 1371953512 /nfs/dbraw/zinc/95/35/12/1371953512.db2.gz OEAZXZRZHYRNSK-SFTDATJTSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CC[C@]4(C3)CCCOC4)C2)cc1 ZINC001208940053 1371953515 /nfs/dbraw/zinc/95/35/15/1371953515.db2.gz OEAZXZRZHYRNSK-SFTDATJTSA-N 2 1 328.500 3.401 20 0 EGADMP OCc1ccc2c(c1)CC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208940431 1371953570 /nfs/dbraw/zinc/95/35/70/1371953570.db2.gz DDXUGRVMFUEDMZ-HXUWFJFHSA-N 2 1 336.479 3.059 20 0 EGADMP OCc1ccc2c(c1)CC[N@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208940431 1371953572 /nfs/dbraw/zinc/95/35/72/1371953572.db2.gz DDXUGRVMFUEDMZ-HXUWFJFHSA-N 2 1 336.479 3.059 20 0 EGADMP OCc1ccc2c(c1)CC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208940431 1371953577 /nfs/dbraw/zinc/95/35/77/1371953577.db2.gz DDXUGRVMFUEDMZ-HXUWFJFHSA-N 2 1 336.479 3.059 20 0 EGADMP OCc1ccc2c(c1)CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208940431 1371953579 /nfs/dbraw/zinc/95/35/79/1371953579.db2.gz DDXUGRVMFUEDMZ-HXUWFJFHSA-N 2 1 336.479 3.059 20 0 EGADMP COC(=O)[C@]1(C)CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939976 1371954136 /nfs/dbraw/zinc/95/41/36/1371954136.db2.gz MUJYCCOFZXEDCG-PZJWPPBQSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)[C@]1(C)CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208939976 1371954139 /nfs/dbraw/zinc/95/41/39/1371954139.db2.gz MUJYCCOFZXEDCG-PZJWPPBQSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)[C@]1(C)CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939976 1371954145 /nfs/dbraw/zinc/95/41/45/1371954145.db2.gz MUJYCCOFZXEDCG-PZJWPPBQSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)C1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208937750 1371955103 /nfs/dbraw/zinc/95/51/03/1371955103.db2.gz SSVJYUBCTQNXQS-LJQANCHMSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)C1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208937750 1371955105 /nfs/dbraw/zinc/95/51/05/1371955105.db2.gz SSVJYUBCTQNXQS-LJQANCHMSA-N 2 1 344.499 3.174 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209134699 1372009626 /nfs/dbraw/zinc/00/96/26/1372009626.db2.gz QZQDRUIHBCHUPB-BQWVTDQKSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC3(C2)CC([NH2+]C[C@@H](C)CC)C3)C1 ZINC001121616691 1372027126 /nfs/dbraw/zinc/02/71/26/1372027126.db2.gz OGKLLADMUAXPEG-YQTQZHKRSA-N 2 1 349.563 3.172 20 0 EGADMP CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209222567 1372042640 /nfs/dbraw/zinc/04/26/40/1372042640.db2.gz JWUBTSBODZKQIG-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP COCC[N@@H+](CCCCOCc1ccccc1)C1CCN(C)CC1 ZINC001209259406 1372053010 /nfs/dbraw/zinc/05/30/10/1372053010.db2.gz VKJCFRDHBZURKR-UHFFFAOYSA-N 2 1 334.504 3.026 20 0 EGADMP CC[N@H+](Cc1ccccc1)C1CC[NH+](CCCC2OCCO2)CC1 ZINC001209311728 1372066255 /nfs/dbraw/zinc/06/62/55/1372066255.db2.gz GMXIOTWNCKOXFZ-UHFFFAOYSA-N 2 1 332.488 3.126 20 0 EGADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](CCCC2OCCO2)CC1 ZINC001209311728 1372066257 /nfs/dbraw/zinc/06/62/57/1372066257.db2.gz GMXIOTWNCKOXFZ-UHFFFAOYSA-N 2 1 332.488 3.126 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](CC3C[C@@H](C)O[C@H](C)C3)C2)C1 ZINC001209381922 1372084853 /nfs/dbraw/zinc/08/48/53/1372084853.db2.gz PZKRDOAXPACZGJ-QWFCFKBJSA-N 2 1 338.536 3.013 20 0 EGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](CC3C[C@@H](C)O[C@H](C)C3)C2)C1 ZINC001209381922 1372084856 /nfs/dbraw/zinc/08/48/56/1372084856.db2.gz PZKRDOAXPACZGJ-QWFCFKBJSA-N 2 1 338.536 3.013 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](CC3C[C@@H](C)O[C@H](C)C3)C2)C1 ZINC001209381922 1372084857 /nfs/dbraw/zinc/08/48/57/1372084857.db2.gz PZKRDOAXPACZGJ-QWFCFKBJSA-N 2 1 338.536 3.013 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](CC3C[C@@H](C)O[C@H](C)C3)C2)C1 ZINC001209381922 1372084860 /nfs/dbraw/zinc/08/48/60/1372084860.db2.gz PZKRDOAXPACZGJ-QWFCFKBJSA-N 2 1 338.536 3.013 20 0 EGADMP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001121895283 1372117056 /nfs/dbraw/zinc/11/70/56/1372117056.db2.gz DLAOSVXHWJHJEF-JSMKSKOISA-N 2 1 347.547 3.066 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001209585164 1372143375 /nfs/dbraw/zinc/14/33/75/1372143375.db2.gz HEYRNNKSZTZOGG-QFOGUGEJSA-N 2 1 337.552 3.146 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(NC(=O)CCCCC2CC[NH2+]CC2)cn1 ZINC001121982839 1372145210 /nfs/dbraw/zinc/14/52/10/1372145210.db2.gz GPVMFFBSMIPTBZ-UHFFFAOYSA-N 2 1 341.459 3.074 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CCC[C@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001209660646 1372164054 /nfs/dbraw/zinc/16/40/54/1372164054.db2.gz RLFJZDVBXFDPIP-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122057153 1372164703 /nfs/dbraw/zinc/16/47/03/1372164703.db2.gz WGZYTHHASOSOKU-FSCGBILYSA-N 2 1 347.547 3.092 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001209691864 1372171774 /nfs/dbraw/zinc/17/17/74/1372171774.db2.gz ZFXMCGBNLKNTLF-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CCCC1CCCC1)C2 ZINC001122106251 1372175790 /nfs/dbraw/zinc/17/57/90/1372175790.db2.gz CBTMNOHYZYOTTL-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209931907 1372234973 /nfs/dbraw/zinc/23/49/73/1372234973.db2.gz OAFQMQCANRMPHJ-OOFWQKGWSA-N 2 1 346.519 3.334 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001210132449 1372277533 /nfs/dbraw/zinc/27/75/33/1372277533.db2.gz BQIWMLDXUKSCEG-VOFKWLDRSA-N 2 1 346.519 3.299 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1C[NH+](CC=C(C)C)C[C@H]1C)c1ccccc1 ZINC001210243495 1372302334 /nfs/dbraw/zinc/30/23/34/1372302334.db2.gz MDEYBLKGDNCQRI-MISYRCLQSA-N 2 1 343.515 3.082 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1C[NH+](CC=C(C)C)C[C@H]1C)c1ccccc1 ZINC001210243495 1372302339 /nfs/dbraw/zinc/30/23/39/1372302339.db2.gz MDEYBLKGDNCQRI-MISYRCLQSA-N 2 1 343.515 3.082 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C)c1ccccc1 ZINC001210243495 1372302346 /nfs/dbraw/zinc/30/23/46/1372302346.db2.gz MDEYBLKGDNCQRI-MISYRCLQSA-N 2 1 343.515 3.082 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C)c1ccccc1 ZINC001210243495 1372302352 /nfs/dbraw/zinc/30/23/52/1372302352.db2.gz MDEYBLKGDNCQRI-MISYRCLQSA-N 2 1 343.515 3.082 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001210356555 1372330513 /nfs/dbraw/zinc/33/05/13/1372330513.db2.gz NVHLPZZULMCYEQ-OAQYLSRUSA-N 2 1 346.478 3.197 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]C/C=C/Cl)C1)c1ccccc1 ZINC001210645795 1372399341 /nfs/dbraw/zinc/39/93/41/1372399341.db2.gz UPPSNDLULGPQPW-XTUKKMCOSA-N 2 1 349.906 3.013 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001210797523 1372427989 /nfs/dbraw/zinc/42/79/89/1372427989.db2.gz UCTVCAYWCNXOGN-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001210797520 1372428288 /nfs/dbraw/zinc/42/82/88/1372428288.db2.gz UCTVCAYWCNXOGN-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001210812431 1372431434 /nfs/dbraw/zinc/43/14/34/1372431434.db2.gz ZYUQCIMQNMSYNP-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001211256515 1372513428 /nfs/dbraw/zinc/51/34/28/1372513428.db2.gz HXQHTUUSRXWNHN-PWBPZBFBSA-N 2 1 335.536 3.188 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211268016 1372516464 /nfs/dbraw/zinc/51/64/64/1372516464.db2.gz GAUWHAZXGBFBRN-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)c1ccc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001211268891 1372517088 /nfs/dbraw/zinc/51/70/88/1372517088.db2.gz LNXFJJZUNKSNQF-FQEVSTJZSA-N 2 1 345.531 3.231 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001326520146 1388227188 /nfs/dbraw/zinc/22/71/88/1388227188.db2.gz WRZNGLMQXZCEQH-IAGOWNOFSA-N 2 1 348.560 3.263 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214855908 1373130489 /nfs/dbraw/zinc/13/04/89/1373130489.db2.gz RGMCVBLWJYLENP-PDTMIUJASA-N 2 1 349.563 3.432 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855700 1373130556 /nfs/dbraw/zinc/13/05/56/1373130556.db2.gz LFEZCDYCJJCERA-VRVMHYDOSA-N 2 1 347.547 3.186 20 0 EGADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214856051 1373130882 /nfs/dbraw/zinc/13/08/82/1373130882.db2.gz WFTQBFZNESDXBA-QRQLOZEOSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001215778733 1373237441 /nfs/dbraw/zinc/23/74/41/1373237441.db2.gz ZLGWCFZNNGXXFB-GUDVDZBRSA-N 2 1 337.552 3.266 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001216844446 1373350122 /nfs/dbraw/zinc/35/01/22/1373350122.db2.gz BYFICKGLSRARTA-NCPJDUFYSA-N 2 1 335.536 3.044 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216849930 1373350767 /nfs/dbraw/zinc/35/07/67/1373350767.db2.gz BQYKKVXJTVQHCU-AHRSYUTCSA-N 2 1 345.531 3.162 20 0 EGADMP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC001129418620 1373381654 /nfs/dbraw/zinc/38/16/54/1373381654.db2.gz VYAPGIGQLVEPSC-PMACEKPBSA-N 2 1 343.515 3.251 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129423590 1373382652 /nfs/dbraw/zinc/38/26/52/1373382652.db2.gz WBTWBXZJLAXBDF-LJQANCHMSA-N 2 1 345.531 3.279 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129429915 1373382988 /nfs/dbraw/zinc/38/29/88/1373382988.db2.gz MQAMNWWFBXJFIW-YLJYHZDGSA-N 2 1 343.515 3.169 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC001129429500 1373383530 /nfs/dbraw/zinc/38/35/30/1373383530.db2.gz HGKAUMSBBPCYAZ-FXAWDEMLSA-N 2 1 343.515 3.169 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188190544 1388261374 /nfs/dbraw/zinc/26/13/74/1388261374.db2.gz ZRBADQCOODMCGP-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188190544 1388261379 /nfs/dbraw/zinc/26/13/79/1388261379.db2.gz ZRBADQCOODMCGP-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188190544 1388261386 /nfs/dbraw/zinc/26/13/86/1388261386.db2.gz ZRBADQCOODMCGP-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001129840005 1373427835 /nfs/dbraw/zinc/42/78/35/1373427835.db2.gz DFUACGORBAONSO-HXUWFJFHSA-N 2 1 343.515 3.034 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130189313 1373472105 /nfs/dbraw/zinc/47/21/05/1373472105.db2.gz NVOLXKFEMRXNSZ-AZUAARDMSA-N 2 1 343.515 3.033 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C)c1ccc(C(C)(C)C)cc1 ZINC001130303575 1373488122 /nfs/dbraw/zinc/48/81/22/1373488122.db2.gz DKKASSUWKTVKHL-QFBILLFUSA-N 2 1 345.531 3.235 20 0 EGADMP CC(C)C[C@@](C)([NH3+])c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217734440 1373497260 /nfs/dbraw/zinc/49/72/60/1373497260.db2.gz XPKVECJCGZBUOU-QFBILLFUSA-N 2 1 328.460 3.279 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nnc(CCCc2ccccc2)o1 ZINC001217752515 1373498110 /nfs/dbraw/zinc/49/81/10/1373498110.db2.gz OHAYADDMSWSZLC-KRWDZBQOSA-N 2 1 330.476 3.413 20 0 EGADMP C[C@@H]1C[C@H](Oc2ccc3c(n2)C[N@@H+](Cc2ccccc2)CC3)CC[NH2+]1 ZINC001218057454 1373549581 /nfs/dbraw/zinc/54/95/81/1373549581.db2.gz RQEWRPUKVAGZBX-VQIMIIECSA-N 2 1 337.467 3.159 20 0 EGADMP C[C@@H]1C[C@H](Oc2ccc3c(n2)C[N@H+](Cc2ccccc2)CC3)CC[NH2+]1 ZINC001218057454 1373549584 /nfs/dbraw/zinc/54/95/84/1373549584.db2.gz RQEWRPUKVAGZBX-VQIMIIECSA-N 2 1 337.467 3.159 20 0 EGADMP CC[C@]1(c2cccc(O[C@H]3[C@@H]4C[C@H]3C[NH2+]C4)c2)CCCC[N@@H+](C)C1 ZINC001218146689 1373569090 /nfs/dbraw/zinc/56/90/90/1373569090.db2.gz FXGFCYYIDSRUJJ-NLEAXPPASA-N 2 1 328.500 3.437 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3Oc2ccc3c(n2)CC[NH2+]C3)cc1 ZINC001218341816 1373600440 /nfs/dbraw/zinc/60/04/40/1373600440.db2.gz NQMRKZFPHZCFLQ-NGRWLJPCSA-N 2 1 349.478 3.017 20 0 EGADMP O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)[C@@H]1CCCC[NH2+]1 ZINC001218848588 1373660437 /nfs/dbraw/zinc/66/04/37/1373660437.db2.gz ONLSUZNRFGZAKC-FQEVSTJZSA-N 2 1 335.451 3.283 20 0 EGADMP O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)[C@@H]1CCCC[NH2+]1 ZINC001218848588 1373660442 /nfs/dbraw/zinc/66/04/42/1373660442.db2.gz ONLSUZNRFGZAKC-FQEVSTJZSA-N 2 1 335.451 3.283 20 0 EGADMP FC(F)(F)c1ccc2c(c1)n[nH]c2C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222153808 1373817734 /nfs/dbraw/zinc/81/77/34/1373817734.db2.gz ANDRNSAYLSKRHB-MRXNPFEDSA-N 2 1 338.377 3.157 20 0 EGADMP FC(F)(F)c1ccc2c(c1)n[nH]c2C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222153808 1373817737 /nfs/dbraw/zinc/81/77/37/1373817737.db2.gz ANDRNSAYLSKRHB-MRXNPFEDSA-N 2 1 338.377 3.157 20 0 EGADMP c1csc(-c2ccc(CN3CC[NH2+][C@H]4CC[NH2+]CC[C@@H]43)s2)c1 ZINC001222497462 1373850171 /nfs/dbraw/zinc/85/01/71/1373850171.db2.gz KVGRRUFTVQSTEF-GJZGRUSLSA-N 2 1 333.526 3.002 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](CN3Cc4ccccc4[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC001222557585 1373853722 /nfs/dbraw/zinc/85/37/22/1373853722.db2.gz BPFYURRBIMMJIW-OIBXWCBGSA-N 2 1 347.506 3.080 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)CCc3cnc[nH]3)CCC2)C1 ZINC001326835198 1388325883 /nfs/dbraw/zinc/32/58/83/1388325883.db2.gz SAHDQWWGNSBOHZ-SJORKVTESA-N 2 1 346.519 3.187 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001224746538 1375074114 /nfs/dbraw/zinc/07/41/14/1375074114.db2.gz SWINQLJWBAADBI-QGZVFWFLSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC1CC[NH+](CC2CCCCCC2)CC1 ZINC001225578221 1375126767 /nfs/dbraw/zinc/12/67/67/1375126767.db2.gz SGYIAYWKBIHGRC-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCCC1CCCC1 ZINC001132107542 1375151381 /nfs/dbraw/zinc/15/13/81/1375151381.db2.gz ZZXORDRBPMFWTM-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132123910 1375159298 /nfs/dbraw/zinc/15/92/98/1375159298.db2.gz LHVHTYFBUAWAEE-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132140819 1375167495 /nfs/dbraw/zinc/16/74/95/1375167495.db2.gz LELLGYQIMQWKGC-IAGOWNOFSA-N 2 1 337.552 3.409 20 0 EGADMP CCCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132140819 1375167499 /nfs/dbraw/zinc/16/74/99/1375167499.db2.gz LELLGYQIMQWKGC-IAGOWNOFSA-N 2 1 337.552 3.409 20 0 EGADMP CCCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132140819 1375167500 /nfs/dbraw/zinc/16/75/00/1375167500.db2.gz LELLGYQIMQWKGC-IAGOWNOFSA-N 2 1 337.552 3.409 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CCCC(C)(C)C ZINC001132266031 1375255253 /nfs/dbraw/zinc/25/52/53/1375255253.db2.gz VCMBYPKWDBRYAV-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CCCC(C)(C)C ZINC001132269280 1375258051 /nfs/dbraw/zinc/25/80/51/1375258051.db2.gz IFFREDJZGLAXEK-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@H+]1CC1=CCCCC1 ZINC001132311313 1375289397 /nfs/dbraw/zinc/28/93/97/1375289397.db2.gz SRILVZUORMDGBA-IEBWSBKVSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[NH+]1CC1=CCCCC1 ZINC001132311313 1375289406 /nfs/dbraw/zinc/28/94/06/1375289406.db2.gz SRILVZUORMDGBA-IEBWSBKVSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[NH+]1CC1=CCCCC1 ZINC001132311313 1375289413 /nfs/dbraw/zinc/28/94/13/1375289413.db2.gz SRILVZUORMDGBA-IEBWSBKVSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@H+]1CCCCCF ZINC001132311703 1375289857 /nfs/dbraw/zinc/28/98/57/1375289857.db2.gz WYYUCYWBCLMONO-IAGOWNOFSA-N 2 1 343.531 3.073 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[NH+]1CCCCCF ZINC001132311703 1375289864 /nfs/dbraw/zinc/28/98/64/1375289864.db2.gz WYYUCYWBCLMONO-IAGOWNOFSA-N 2 1 343.531 3.073 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[NH+]1CCCCCF ZINC001132311703 1375289871 /nfs/dbraw/zinc/28/98/71/1375289871.db2.gz WYYUCYWBCLMONO-IAGOWNOFSA-N 2 1 343.531 3.073 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001226613515 1375292506 /nfs/dbraw/zinc/29/25/06/1375292506.db2.gz JTOMTKXXLYJTPL-GJGSYKPXSA-N 2 1 335.536 3.234 20 0 EGADMP CC(C)C[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335832 1375316706 /nfs/dbraw/zinc/31/67/06/1375316706.db2.gz UYIFUYIICPTTOO-DLBZAZTESA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)C[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335832 1375316709 /nfs/dbraw/zinc/31/67/09/1375316709.db2.gz UYIFUYIICPTTOO-DLBZAZTESA-N 2 1 334.508 3.022 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132340052 1375320441 /nfs/dbraw/zinc/32/04/41/1375320441.db2.gz MFPUJHMFWFZXIH-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001226765357 1375328628 /nfs/dbraw/zinc/32/86/28/1375328628.db2.gz BVHHZSOGVJRXEE-AQNXPRMDSA-N 2 1 347.547 3.377 20 0 EGADMP CCCCC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132366072 1375330086 /nfs/dbraw/zinc/33/00/86/1375330086.db2.gz VVLQGABALZVMTI-SJLPKXTDSA-N 2 1 334.508 3.131 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132366072 1375330089 /nfs/dbraw/zinc/33/00/89/1375330089.db2.gz VVLQGABALZVMTI-SJLPKXTDSA-N 2 1 334.508 3.131 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CCC2CC2)C1 ZINC001132365637 1375330345 /nfs/dbraw/zinc/33/03/45/1375330345.db2.gz NGXJNFCTBUFVSZ-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2CC2)C1 ZINC001132365637 1375330350 /nfs/dbraw/zinc/33/03/50/1375330350.db2.gz NGXJNFCTBUFVSZ-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC2CC2)C1 ZINC001132365637 1375330357 /nfs/dbraw/zinc/33/03/57/1375330357.db2.gz NGXJNFCTBUFVSZ-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC(C)C)C1 ZINC001132366244 1375331945 /nfs/dbraw/zinc/33/19/45/1375331945.db2.gz YYMRJQRTEGHZGE-ROUUACIJSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(C)C)C1 ZINC001132366244 1375331949 /nfs/dbraw/zinc/33/19/49/1375331949.db2.gz YYMRJQRTEGHZGE-ROUUACIJSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(C)C)C1 ZINC001132366244 1375331953 /nfs/dbraw/zinc/33/19/53/1375331953.db2.gz YYMRJQRTEGHZGE-ROUUACIJSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001132376953 1375339052 /nfs/dbraw/zinc/33/90/52/1375339052.db2.gz RZPDRKJLTBLLRW-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001132380231 1375339998 /nfs/dbraw/zinc/33/99/98/1375339998.db2.gz HDEPOSIDSLWTDM-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001132380230 1375341259 /nfs/dbraw/zinc/34/12/59/1375341259.db2.gz HDEPOSIDSLWTDM-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001226889686 1375353119 /nfs/dbraw/zinc/35/31/19/1375353119.db2.gz AHNLFLSDGVORQT-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCF)C1 ZINC001132419970 1375368050 /nfs/dbraw/zinc/36/80/50/1375368050.db2.gz KZVXYOUXVINKPL-MSOLQXFVSA-N 2 1 343.531 3.217 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[N@H+]1CC1CCC1 ZINC001132493175 1375423734 /nfs/dbraw/zinc/42/37/34/1375423734.db2.gz JXEVWXCCGBQKQP-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132494541 1375424285 /nfs/dbraw/zinc/42/42/85/1375424285.db2.gz UGYUMYKSDCDFPE-MOPGFXCFSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132494547 1375424668 /nfs/dbraw/zinc/42/46/68/1375424668.db2.gz UGYUMYKSDCDFPE-RTBURBONSA-N 2 1 335.536 3.188 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132519472 1375436717 /nfs/dbraw/zinc/43/67/17/1375436717.db2.gz ZJRDHWWFOAVEAD-NYQZOWANSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132519397 1375437299 /nfs/dbraw/zinc/43/72/99/1375437299.db2.gz YDKXDDZYFAZZAH-IAGOWNOFSA-N 2 1 325.541 3.122 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCC(C)(C)C)C1 ZINC001132519397 1375437304 /nfs/dbraw/zinc/43/73/04/1375437304.db2.gz YDKXDDZYFAZZAH-IAGOWNOFSA-N 2 1 325.541 3.122 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC(C)(C)C)C1 ZINC001132519397 1375437308 /nfs/dbraw/zinc/43/73/08/1375437308.db2.gz YDKXDDZYFAZZAH-IAGOWNOFSA-N 2 1 325.541 3.122 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CCC1CCCC1 ZINC001132524347 1375440959 /nfs/dbraw/zinc/44/09/59/1375440959.db2.gz GFFOENONXDZFIU-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001228040430 1375509341 /nfs/dbraw/zinc/50/93/41/1375509341.db2.gz YPLDQWFVQVVWKS-HNNXBMFYSA-N 2 1 349.494 3.198 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001132739835 1375539845 /nfs/dbraw/zinc/53/98/45/1375539845.db2.gz WEESZDJOIYSFMX-MOPGFXCFSA-N 2 1 345.531 3.192 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C)CC(C)(C)C ZINC001228623782 1375620122 /nfs/dbraw/zinc/62/01/22/1375620122.db2.gz LESHFNQZPLNJDP-IAGOWNOFSA-N 2 1 339.568 3.418 20 0 EGADMP C[NH+]1CCC(c2c[nH]c3ccc(O[C@@H]4CCC[N@@H+](C)C4)cc32)CC1 ZINC001228823596 1375687649 /nfs/dbraw/zinc/68/76/49/1375687649.db2.gz NBXGGXDHJQLOQI-QGZVFWFLSA-N 2 1 327.472 3.450 20 0 EGADMP Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC2)cc1 ZINC001327145689 1388403453 /nfs/dbraw/zinc/40/34/53/1388403453.db2.gz FJOCODNKKUHHTF-VQTJNVASSA-N 2 1 345.531 3.052 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001229525191 1375851773 /nfs/dbraw/zinc/85/17/73/1375851773.db2.gz YGOXLHBHJPNBEP-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP CCCCCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001133262003 1375877055 /nfs/dbraw/zinc/87/70/55/1375877055.db2.gz FIBGKJNGGJCKOU-OALUTQOASA-N 2 1 339.568 3.373 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC(C)(C)C)C1 ZINC001229692168 1375877608 /nfs/dbraw/zinc/87/76/08/1375877608.db2.gz FMXKJQHGCQHHOK-KZNAEPCWSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133274359 1375888999 /nfs/dbraw/zinc/88/89/99/1375888999.db2.gz HACIIGAHODIGTN-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133313296 1375915864 /nfs/dbraw/zinc/91/58/64/1375915864.db2.gz CQAPUTIPFHWPGM-AEFFLSMTSA-N 2 1 348.535 3.092 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC001230284366 1375983991 /nfs/dbraw/zinc/98/39/91/1375983991.db2.gz AVRJCZDYLRDYQP-RTBURBONSA-N 2 1 337.552 3.314 20 0 EGADMP CCCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001230537431 1376061033 /nfs/dbraw/zinc/06/10/33/1376061033.db2.gz GKZAMOVHULPOEG-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001230537431 1376061044 /nfs/dbraw/zinc/06/10/44/1376061044.db2.gz GKZAMOVHULPOEG-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001230537431 1376061061 /nfs/dbraw/zinc/06/10/61/1376061061.db2.gz GKZAMOVHULPOEG-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230611081 1376101347 /nfs/dbraw/zinc/10/13/47/1376101347.db2.gz LOMRJDLJOCYLBP-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CCC([C@H]2CCC[N@H+]2CCC2CC2)CC1 ZINC001230617883 1376103884 /nfs/dbraw/zinc/10/38/84/1376103884.db2.gz HJIOBPMKXRPPGX-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H]([NH2+]CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC001133856931 1376236014 /nfs/dbraw/zinc/23/60/14/1376236014.db2.gz WCVZCKCNCMGWGK-YLJYHZDGSA-N 2 1 349.494 3.056 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4c[nH]c5cnccc45)C[C@@H]3C2)c1 ZINC001231515024 1376253092 /nfs/dbraw/zinc/25/30/92/1376253092.db2.gz BTHQWQAJDFUYKL-HZPDHXFCSA-N 2 1 338.480 3.188 20 0 EGADMP CCOc1ccc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001231658104 1376297596 /nfs/dbraw/zinc/29/75/96/1376297596.db2.gz UGQXDUZRUHLVFX-FQEVSTJZSA-N 2 1 339.483 3.434 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1CCCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012243 1376382018 /nfs/dbraw/zinc/38/20/18/1376382018.db2.gz WPALBJNCNWDCHT-OAHLLOKOSA-N 2 1 344.459 3.442 20 0 EGADMP Cc1cc(C)cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001134608399 1376623444 /nfs/dbraw/zinc/62/34/44/1376623444.db2.gz VJUUCHDHKWARJF-MSOLQXFVSA-N 2 1 345.531 3.161 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+]CCCC1CCCC1 ZINC001134723566 1376678914 /nfs/dbraw/zinc/67/89/14/1376678914.db2.gz NRBOJJDDDJUXNF-UHFFFAOYSA-N 2 1 334.508 3.073 20 0 EGADMP CCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001234323912 1376811631 /nfs/dbraw/zinc/81/16/31/1376811631.db2.gz WDCXCKFHMPLBIT-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001234323912 1376811635 /nfs/dbraw/zinc/81/16/35/1376811635.db2.gz WDCXCKFHMPLBIT-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001234323912 1376811641 /nfs/dbraw/zinc/81/16/41/1376811641.db2.gz WDCXCKFHMPLBIT-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP Fc1ccc(-c2ccccc2C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235036278 1376835526 /nfs/dbraw/zinc/83/55/26/1376835526.db2.gz KQIQCUYQRNGXPM-WIYYLYMNSA-N 2 1 340.442 3.303 20 0 EGADMP Cc1c(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cccc1-c1ccccc1 ZINC001235042649 1376839102 /nfs/dbraw/zinc/83/91/02/1376839102.db2.gz ZKOSOBQYEJIWAF-IFMALSPDSA-N 2 1 336.479 3.472 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC001235190982 1376857712 /nfs/dbraw/zinc/85/77/12/1376857712.db2.gz NELDVDLNPARJSX-UHFFFAOYSA-N 3 1 345.531 3.125 20 0 EGADMP C[NH+](C)CCCOc1ccc(CN2CCCCC23CC[NH2+]CC3)cc1 ZINC001235190982 1376857723 /nfs/dbraw/zinc/85/77/23/1376857723.db2.gz NELDVDLNPARJSX-UHFFFAOYSA-N 2 1 345.531 3.125 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427606 1376870468 /nfs/dbraw/zinc/87/04/68/1376870468.db2.gz SJIQPOSJXSMXQD-ROUUACIJSA-N 2 1 339.483 3.455 20 0 EGADMP COc1ccc2nccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235427648 1376870604 /nfs/dbraw/zinc/87/06/04/1376870604.db2.gz MTBXDXNYWQGGRS-IRXDYDNUSA-N 2 1 339.483 3.455 20 0 EGADMP COc1cccc2[nH]cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c21 ZINC001235428996 1376870861 /nfs/dbraw/zinc/87/08/61/1376870861.db2.gz SJEUMFDTYZHYHJ-HZPDHXFCSA-N 2 1 327.472 3.388 20 0 EGADMP COc1ncc(C2CC2)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430898 1376872303 /nfs/dbraw/zinc/87/23/03/1376872303.db2.gz YKNUQYNDFFGUKH-IRXDYDNUSA-N 2 1 329.488 3.179 20 0 EGADMP CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135076933 1376881734 /nfs/dbraw/zinc/88/17/34/1376881734.db2.gz JGCRCPJMLXDDNS-DLBZAZTESA-N 2 1 325.541 3.314 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]C/C=C\Cl)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135078127 1376883799 /nfs/dbraw/zinc/88/37/99/1376883799.db2.gz ZFRLSKBQBCYJFH-MOJJGNAPSA-N 2 1 343.943 3.266 20 0 EGADMP Fc1ccc(CN2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC001235884702 1376909437 /nfs/dbraw/zinc/90/94/37/1376909437.db2.gz LVGHKHCUHPBYHZ-UHFFFAOYSA-N 2 1 339.458 3.137 20 0 EGADMP Fc1ccc(C[N@@H+]2CCCN(Cc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC001235884702 1376909452 /nfs/dbraw/zinc/90/94/52/1376909452.db2.gz LVGHKHCUHPBYHZ-UHFFFAOYSA-N 2 1 339.458 3.137 20 0 EGADMP Fc1ccc(C[N@H+]2CCCN(Cc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC001235884702 1376909463 /nfs/dbraw/zinc/90/94/63/1376909463.db2.gz LVGHKHCUHPBYHZ-UHFFFAOYSA-N 2 1 339.458 3.137 20 0 EGADMP Fc1cccc(OC(F)F)c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235883773 1376909839 /nfs/dbraw/zinc/90/98/39/1376909839.db2.gz NXYHTGKBJBZWAW-OAHLLOKOSA-N 2 1 328.378 3.391 20 0 EGADMP Cc1csc2sc(C[N@H+]3CCC[C@H](N4CC([NH3+])C4)C3)c(C)c12 ZINC001236077481 1376932468 /nfs/dbraw/zinc/93/24/68/1376932468.db2.gz IDWRMTZPQPDWEA-AWEZNQCLSA-N 2 1 335.542 3.187 20 0 EGADMP COc1cc(OCc2ccccc2)ccc1C[N@@H+](C)CCCC[NH3+] ZINC001236140963 1376935655 /nfs/dbraw/zinc/93/56/55/1376935655.db2.gz BQZFMLXESONAPN-UHFFFAOYSA-N 2 1 328.456 3.445 20 0 EGADMP Fc1ccc(CN(Cc2[nH+]cn3ccccc23)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236388043 1376951876 /nfs/dbraw/zinc/95/18/76/1376951876.db2.gz BFHLZZYHCUSYPR-GOSISDBHSA-N 2 1 338.430 3.228 20 0 EGADMP CCC[N@H+](Cc1ccc(Br)c(OC)c1)C[C@H]1CC[NH2+]C1 ZINC001236844596 1376965480 /nfs/dbraw/zinc/96/54/80/1376965480.db2.gz WPGAGCBKBMOOPY-AWEZNQCLSA-N 2 1 341.293 3.279 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+][C@@H](C)c1ccccc1Cl ZINC001135305435 1377028324 /nfs/dbraw/zinc/02/83/24/1377028324.db2.gz VJLGAKUPBBRXGG-AWEZNQCLSA-N 2 1 348.878 3.092 20 0 EGADMP Fc1ccc(N2CC[NH+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)CC2)cc1 ZINC001246543505 1377052312 /nfs/dbraw/zinc/05/23/12/1377052312.db2.gz YYGLHSRAOMONFL-LJQANCHMSA-N 2 1 331.479 3.403 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@H+](C2CCN(c3ccccc3Cl)CC2)CC1 ZINC001246546924 1377052351 /nfs/dbraw/zinc/05/23/51/1377052351.db2.gz HNZGOZOTDYLWHT-SFHVURJKSA-N 2 1 339.886 3.462 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001246937394 1377056294 /nfs/dbraw/zinc/05/62/94/1377056294.db2.gz MBFZQDFDEUVBAY-LMMKCTJWSA-N 2 1 336.520 3.353 20 0 EGADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(N3CCCCCC3=O)c2)CC1 ZINC001254511145 1377105685 /nfs/dbraw/zinc/10/56/85/1377105685.db2.gz WUPFRNMAPCQGTR-GOSISDBHSA-N 2 1 329.488 3.168 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(N3CCCCCC3=O)c2)CC1 ZINC001254511145 1377105686 /nfs/dbraw/zinc/10/56/86/1377105686.db2.gz WUPFRNMAPCQGTR-GOSISDBHSA-N 2 1 329.488 3.168 20 0 EGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254510380 1377105792 /nfs/dbraw/zinc/10/57/92/1377105792.db2.gz VERQTJNKSMRUTP-HIFRSBDPSA-N 2 1 325.294 3.454 20 0 EGADMP CCC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135468706 1377107915 /nfs/dbraw/zinc/10/79/15/1377107915.db2.gz SFJNNLHMTRMSFV-NUQYTELCSA-N 2 1 337.552 3.338 20 0 EGADMP Cc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001135477910 1377111735 /nfs/dbraw/zinc/11/17/35/1377111735.db2.gz XJRTYGRFGQBUBM-ZWKOTPCHSA-N 2 1 347.547 3.346 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CC1 ZINC001135690175 1377184534 /nfs/dbraw/zinc/18/45/34/1377184534.db2.gz FMEDCQQUBNSJHH-IAGOWNOFSA-N 2 1 325.541 3.172 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CC2CCCCCC2)C1 ZINC001266115853 1377192714 /nfs/dbraw/zinc/19/27/14/1377192714.db2.gz BCDOZHVBKHSLJR-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)CC2CCCCCC2)C1 ZINC001266115853 1377192715 /nfs/dbraw/zinc/19/27/15/1377192715.db2.gz BCDOZHVBKHSLJR-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC001266115853 1377192717 /nfs/dbraw/zinc/19/27/17/1377192717.db2.gz BCDOZHVBKHSLJR-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001266190278 1377221282 /nfs/dbraw/zinc/22/12/82/1377221282.db2.gz RKDGQRNTIVAYMD-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001135858483 1377237124 /nfs/dbraw/zinc/23/71/24/1377237124.db2.gz YPJLEEYXXLXMPV-CVEARBPZSA-N 2 1 345.487 3.148 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135861957 1377238611 /nfs/dbraw/zinc/23/86/11/1377238611.db2.gz ZNICTYSUGMNPRD-SJORKVTESA-N 2 1 337.552 3.172 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135861654 1377238764 /nfs/dbraw/zinc/23/87/64/1377238764.db2.gz VCPXUNMGQLVXKB-MSOLQXFVSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135977780 1377284773 /nfs/dbraw/zinc/28/47/73/1377284773.db2.gz YWCJBNISROXVFH-ZWKOTPCHSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001135995152 1377291805 /nfs/dbraw/zinc/29/18/05/1377291805.db2.gz AAEPVMZJXMVFEN-RBUKOAKNSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001327309413 1388493693 /nfs/dbraw/zinc/49/36/93/1388493693.db2.gz VKPFXGAFLCIODE-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001267789546 1377468875 /nfs/dbraw/zinc/46/88/75/1377468875.db2.gz IWYLLTGDHNUJTE-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001267789546 1377468877 /nfs/dbraw/zinc/46/88/77/1377468877.db2.gz IWYLLTGDHNUJTE-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC001267789546 1377468879 /nfs/dbraw/zinc/46/88/79/1377468879.db2.gz IWYLLTGDHNUJTE-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP Cc1csc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1 ZINC001137154751 1377487550 /nfs/dbraw/zinc/48/75/50/1377487550.db2.gz SBBQTQGVWLHMMC-IEBWSBKVSA-N 2 1 334.529 3.237 20 0 EGADMP Cc1c(C(=O)N[C@@H](C)C[N@H+](C)C[C@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001268736055 1377520394 /nfs/dbraw/zinc/52/03/94/1377520394.db2.gz QBIOXWUUAXDZQL-CVEARBPZSA-N 2 1 344.503 3.375 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001269345929 1377552117 /nfs/dbraw/zinc/55/21/17/1377552117.db2.gz WVRGOZGOBLEJSD-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(OC)c(Br)c1 ZINC001138297916 1377698718 /nfs/dbraw/zinc/69/87/18/1377698718.db2.gz XTFCVMMYHCICRH-UHFFFAOYSA-N 2 1 338.249 3.176 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+](Cc2[nH]c3ccccc3c2C)CC1 ZINC001138402016 1377718207 /nfs/dbraw/zinc/71/82/07/1377718207.db2.gz IVPQKKCADGIWKM-UHFFFAOYSA-N 2 1 342.531 3.326 20 0 EGADMP CC[NH+](CC)CCN1CC[NH+](Cc2[nH]c3ccc(F)cc3c2C)CC1 ZINC001138410483 1377718976 /nfs/dbraw/zinc/71/89/76/1377718976.db2.gz CJQKQISSSZGEGX-UHFFFAOYSA-N 2 1 346.494 3.075 20 0 EGADMP CCOC(=O)[C@H]1CCCC[N@@H+](Cc2ccc(-n3ccnc3C)cc2)C1 ZINC001138548546 1377739509 /nfs/dbraw/zinc/73/95/09/1377739509.db2.gz HNVKXZAABISYJG-SFHVURJKSA-N 2 1 341.455 3.346 20 0 EGADMP CCOC(=O)[C@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138548546 1377739512 /nfs/dbraw/zinc/73/95/12/1377739512.db2.gz HNVKXZAABISYJG-SFHVURJKSA-N 2 1 341.455 3.346 20 0 EGADMP CCOC(=O)[C@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138548546 1377739516 /nfs/dbraw/zinc/73/95/16/1377739516.db2.gz HNVKXZAABISYJG-SFHVURJKSA-N 2 1 341.455 3.346 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(-n4cnc5ccccc54)cc3)C[C@@H]2C1 ZINC001138582462 1377747234 /nfs/dbraw/zinc/74/72/34/1377747234.db2.gz WLAVDJUIBXWDEQ-MOPGFXCFSA-N 2 1 346.478 3.409 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C[C@@H]2C1 ZINC001138582462 1377747236 /nfs/dbraw/zinc/74/72/36/1377747236.db2.gz WLAVDJUIBXWDEQ-MOPGFXCFSA-N 2 1 346.478 3.409 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C[C@@H]2C1 ZINC001138582462 1377747238 /nfs/dbraw/zinc/74/72/38/1377747238.db2.gz WLAVDJUIBXWDEQ-MOPGFXCFSA-N 2 1 346.478 3.409 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)cc1 ZINC001138772367 1377782370 /nfs/dbraw/zinc/78/23/70/1377782370.db2.gz IEMNJDLVKNWQKA-IBGZPJMESA-N 2 1 339.483 3.402 20 0 EGADMP Fc1ncccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001138788396 1377785371 /nfs/dbraw/zinc/78/53/71/1377785371.db2.gz BZNSTADQTRNTJD-UHFFFAOYSA-N 2 1 329.419 3.302 20 0 EGADMP C[NH+]1CCN(C2CC[NH+](Cc3c[nH]c4c3cccc4Cl)CC2)CC1 ZINC001138835857 1377793355 /nfs/dbraw/zinc/79/33/55/1377793355.db2.gz WQTLBQWZFFDIIK-UHFFFAOYSA-N 2 1 346.906 3.033 20 0 EGADMP COCC[N@@H+](Cc1c[nH]c2c1cccc2Cl)C1CCN(C)CC1 ZINC001138835255 1377793739 /nfs/dbraw/zinc/79/37/39/1377793739.db2.gz PJQXNKZWCOIYCS-UHFFFAOYSA-N 2 1 335.879 3.364 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+](C)C1CCN(C)CC1 ZINC001138845498 1377794645 /nfs/dbraw/zinc/79/46/45/1377794645.db2.gz BJHURZDOFHLHGN-UHFFFAOYSA-N 2 1 332.366 3.120 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@@H+](C)C1CCN(C)CC1 ZINC001138845498 1377794646 /nfs/dbraw/zinc/79/46/46/1377794646.db2.gz BJHURZDOFHLHGN-UHFFFAOYSA-N 2 1 332.366 3.120 20 0 EGADMP C[NH+]1CCC(C2CC[NH+](Cc3cc(F)cnc3Cl)CC2)CC1 ZINC001138893454 1377800835 /nfs/dbraw/zinc/80/08/35/1377800835.db2.gz FQRNSOFNXKXCTJ-UHFFFAOYSA-N 2 1 325.859 3.428 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccccc1-n1cncn1 ZINC001139421892 1377881479 /nfs/dbraw/zinc/88/14/79/1377881479.db2.gz FQJNVJZXYBMBIK-RBUKOAKNSA-N 2 1 339.487 3.106 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c(C)cc(O)cc2C)CC1 ZINC001139710966 1377938772 /nfs/dbraw/zinc/93/87/72/1377938772.db2.gz XKKMVZVZJUJMSD-UHFFFAOYSA-N 2 1 325.456 3.451 20 0 EGADMP C[NH+]1CCC2(C[NH+](Cc3c[nH]c4cccc(Br)c34)C2)CC1 ZINC001139966182 1377984150 /nfs/dbraw/zinc/98/41/50/1377984150.db2.gz ODUPXJMRFHJUDH-UHFFFAOYSA-N 2 1 348.288 3.458 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[C@@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001140028742 1377992587 /nfs/dbraw/zinc/99/25/87/1377992587.db2.gz ABWRCRFQVLCOGT-AZUAARDMSA-N 2 1 342.462 3.189 20 0 EGADMP COc1cc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)ccc1C ZINC001140157640 1378022743 /nfs/dbraw/zinc/02/27/43/1378022743.db2.gz KQIFGEAGRRYHNX-UHFFFAOYSA-N 2 1 325.456 3.446 20 0 EGADMP COC(=O)[C@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)[C@H]1c1ccccc1 ZINC001140806675 1378146797 /nfs/dbraw/zinc/14/67/97/1378146797.db2.gz NRUIUBZADVPVDM-LPHOPBHVSA-N 2 1 335.407 3.299 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)[C@H]1c1ccccc1 ZINC001140806675 1378146801 /nfs/dbraw/zinc/14/68/01/1378146801.db2.gz NRUIUBZADVPVDM-LPHOPBHVSA-N 2 1 335.407 3.299 20 0 EGADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140806278 1378146843 /nfs/dbraw/zinc/14/68/43/1378146843.db2.gz DSKCRIXIQLCZIT-AWEZNQCLSA-N 2 1 330.432 3.004 20 0 EGADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140806278 1378146845 /nfs/dbraw/zinc/14/68/45/1378146845.db2.gz DSKCRIXIQLCZIT-AWEZNQCLSA-N 2 1 330.432 3.004 20 0 EGADMP Cc1nccn1-c1ccccc1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001275894313 1378161016 /nfs/dbraw/zinc/16/10/16/1378161016.db2.gz HVVBJKGVTAXRFQ-NRFANRHFSA-N 2 1 338.499 3.489 20 0 EGADMP Cc1nccn1-c1ccccc1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275894313 1378161018 /nfs/dbraw/zinc/16/10/18/1378161018.db2.gz HVVBJKGVTAXRFQ-NRFANRHFSA-N 2 1 338.499 3.489 20 0 EGADMP Cc1nccn1-c1ccccc1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275894313 1378161023 /nfs/dbraw/zinc/16/10/23/1378161023.db2.gz HVVBJKGVTAXRFQ-NRFANRHFSA-N 2 1 338.499 3.489 20 0 EGADMP CC[NH+]1CCC(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC(F)(F)F)CC1 ZINC001276492416 1378175673 /nfs/dbraw/zinc/17/56/73/1378175673.db2.gz URJQWYYHYFICKB-CALCHBBNSA-N 2 1 347.469 3.209 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CCCC(F)(F)F)CC1 ZINC001276492416 1378175676 /nfs/dbraw/zinc/17/56/76/1378175676.db2.gz URJQWYYHYFICKB-CALCHBBNSA-N 2 1 347.469 3.209 20 0 EGADMP CC[NH+]1CCC(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CCCC(F)(F)F)CC1 ZINC001276492416 1378175678 /nfs/dbraw/zinc/17/56/78/1378175678.db2.gz URJQWYYHYFICKB-CALCHBBNSA-N 2 1 347.469 3.209 20 0 EGADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c4ccccc4[nH]c3C(=O)OC)(C1)CCC2 ZINC001276872578 1378190989 /nfs/dbraw/zinc/19/09/89/1378190989.db2.gz VCFLMVVCIQCYMU-VQTJNVASSA-N 2 1 341.455 3.109 20 0 EGADMP C[N@@H+](Cc1cccc(F)c1)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140970403 1378195809 /nfs/dbraw/zinc/19/58/09/1378195809.db2.gz JYHBAEASXYRDPZ-UHFFFAOYSA-N 2 1 327.447 3.210 20 0 EGADMP Clc1ccc2c(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)c[nH]c2c1 ZINC001141591074 1378347800 /nfs/dbraw/zinc/34/78/00/1378347800.db2.gz OPHRTPJXDLNFES-UHFFFAOYSA-N 2 1 346.906 3.035 20 0 EGADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001142380413 1378437959 /nfs/dbraw/zinc/43/79/59/1378437959.db2.gz OYYJMVSEFCKHBH-FCHUYYIVSA-N 2 1 337.511 3.358 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3c[nH]c4cc(Br)ccc34)C2)C1 ZINC001142404823 1378440483 /nfs/dbraw/zinc/44/04/83/1378440483.db2.gz ICBKDKOADGKTLF-KRWDZBQOSA-N 2 1 348.288 3.458 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3c[nH]c4cc(Br)ccc34)C2)C1 ZINC001142404823 1378440486 /nfs/dbraw/zinc/44/04/86/1378440486.db2.gz ICBKDKOADGKTLF-KRWDZBQOSA-N 2 1 348.288 3.458 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c[nH]c4cc(Br)ccc34)C2)C1 ZINC001142404823 1378440487 /nfs/dbraw/zinc/44/04/87/1378440487.db2.gz ICBKDKOADGKTLF-KRWDZBQOSA-N 2 1 348.288 3.458 20 0 EGADMP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[N@@H+](C)[C@H](C)c1ccccc1 ZINC001282494824 1378513320 /nfs/dbraw/zinc/51/33/20/1378513320.db2.gz QOOOCGDGUPWXLX-RTBURBONSA-N 2 1 345.531 3.450 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)CCC(C)(C)C ZINC001143139991 1378546046 /nfs/dbraw/zinc/54/60/46/1378546046.db2.gz ICJPONZGKZZWFC-MSOLQXFVSA-N 2 1 339.568 3.323 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccc(C)cc1 ZINC001282677754 1378547646 /nfs/dbraw/zinc/54/76/46/1378547646.db2.gz GWHYRNSBLFSJET-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCCC[N@H+]1Cc1ccc(C)cc1 ZINC001282677754 1378547647 /nfs/dbraw/zinc/54/76/47/1378547647.db2.gz GWHYRNSBLFSJET-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C1C[NH+](CC2CC(C)C2)C1 ZINC001282724578 1378578408 /nfs/dbraw/zinc/57/84/08/1378578408.db2.gz IRSVRGDZDLAQKV-ADKAHSJRSA-N 2 1 349.563 3.124 20 0 EGADMP CC[NH+]1C[C@H]2C[NH+](Cc3cc(C)cc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001143472628 1378601086 /nfs/dbraw/zinc/60/10/86/1378601086.db2.gz RYCUZGLZVZHHMO-GJZGRUSLSA-N 2 1 328.378 3.277 20 0 EGADMP CCN(Cc1[nH+]cn2ccccc12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001144624266 1378752292 /nfs/dbraw/zinc/75/22/92/1378752292.db2.gz BVCVUPVAJVSXDV-IBGZPJMESA-N 2 1 334.467 3.431 20 0 EGADMP CCN(Cc1[nH+]cn2ccccc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001144624266 1378752293 /nfs/dbraw/zinc/75/22/93/1378752293.db2.gz BVCVUPVAJVSXDV-IBGZPJMESA-N 2 1 334.467 3.431 20 0 EGADMP CN(Cc1[nH+]cn2ccccc12)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001144627655 1378753178 /nfs/dbraw/zinc/75/31/78/1378753178.db2.gz QUGFZIFVBQMHDQ-LJQANCHMSA-N 2 1 334.467 3.431 20 0 EGADMP CN(Cc1[nH+]cn2ccccc12)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001144627655 1378753179 /nfs/dbraw/zinc/75/31/79/1378753179.db2.gz QUGFZIFVBQMHDQ-LJQANCHMSA-N 2 1 334.467 3.431 20 0 EGADMP c1[nH+]c(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2ccccn12 ZINC001144627441 1378753182 /nfs/dbraw/zinc/75/31/82/1378753182.db2.gz PAXGIFIGNGAVLL-GHTZIAJQSA-N 2 1 332.451 3.041 20 0 EGADMP c1[nH+]c(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c2ccccn12 ZINC001144627441 1378753183 /nfs/dbraw/zinc/75/31/83/1378753183.db2.gz PAXGIFIGNGAVLL-GHTZIAJQSA-N 2 1 332.451 3.041 20 0 EGADMP CCc1ccccc1CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146593829 1378873011 /nfs/dbraw/zinc/87/30/11/1378873011.db2.gz QLTLEJQRPXSPSB-ZWKOTPCHSA-N 2 1 347.547 3.005 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001146593894 1378873608 /nfs/dbraw/zinc/87/36/08/1378873608.db2.gz RCLPMNLOWZTTRD-LSDHHAIUSA-N 2 1 347.494 3.025 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001146593040 1378874032 /nfs/dbraw/zinc/87/40/32/1378874032.db2.gz MSXKXGDMIGCHDW-IAGOWNOFSA-N 2 1 325.541 3.170 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001146595449 1378874855 /nfs/dbraw/zinc/87/48/55/1378874855.db2.gz ZQYCWISDDGBXSZ-IAGOWNOFSA-N 2 1 325.541 3.170 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCCC1CCCC1 ZINC001147358694 1379008669 /nfs/dbraw/zinc/00/86/69/1379008669.db2.gz IMXFAOKFNFLJHO-IBGZPJMESA-N 2 1 337.552 3.317 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC2(C1)CC[N@@H+](CC1CCC(C)(C)CC1)C2 ZINC001148174563 1379128722 /nfs/dbraw/zinc/12/87/22/1379128722.db2.gz PDXOQHMNYKZXMZ-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001283704593 1379129929 /nfs/dbraw/zinc/12/99/29/1379129929.db2.gz NVEDOEBKDPYNMI-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148385777 1379161843 /nfs/dbraw/zinc/16/18/43/1379161843.db2.gz QWKOLYLYOLCNAK-UEKDZROGSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001148385777 1379161845 /nfs/dbraw/zinc/16/18/45/1379161845.db2.gz QWKOLYLYOLCNAK-UEKDZROGSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001148385777 1379161848 /nfs/dbraw/zinc/16/18/48/1379161848.db2.gz QWKOLYLYOLCNAK-UEKDZROGSA-N 2 1 347.547 3.140 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148390052 1379162599 /nfs/dbraw/zinc/16/25/99/1379162599.db2.gz AKKRQCGAIBWDCS-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP CC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148391975 1379163613 /nfs/dbraw/zinc/16/36/13/1379163613.db2.gz ZIYSVASKOTUJQQ-PHWHVTFISA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@@H+](CC[C@H]1CCC[C@@H](C)C1)C2 ZINC001148469777 1379179468 /nfs/dbraw/zinc/17/94/68/1379179468.db2.gz UYGKKYLAKSDFHJ-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC[C@H]1CCC[C@H](C)C1)C2 ZINC001148551729 1379209580 /nfs/dbraw/zinc/20/95/80/1379209580.db2.gz STHWUJTWDCOQGF-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CC[C@H]1CCC[C@H](C)C1)C2 ZINC001148551729 1379209585 /nfs/dbraw/zinc/20/95/85/1379209585.db2.gz STHWUJTWDCOQGF-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CC[C@H]1CCC[C@H](C)C1)C2 ZINC001148551729 1379209588 /nfs/dbraw/zinc/20/95/88/1379209588.db2.gz STHWUJTWDCOQGF-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC001148638971 1379232595 /nfs/dbraw/zinc/23/25/95/1379232595.db2.gz VYGNZZFNWJFMKQ-UHFFFAOYSA-N 2 1 345.531 3.008 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001148656769 1379235309 /nfs/dbraw/zinc/23/53/09/1379235309.db2.gz CZTDCLTWXFEQEA-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2 ZINC001148656769 1379235319 /nfs/dbraw/zinc/23/53/19/1379235319.db2.gz CZTDCLTWXFEQEA-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CCCC(C)(C)C)C2 ZINC001148656769 1379235323 /nfs/dbraw/zinc/23/53/23/1379235323.db2.gz CZTDCLTWXFEQEA-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148842776 1379282187 /nfs/dbraw/zinc/28/21/87/1379282187.db2.gz CCYMLXUSUIGHGZ-IBGZPJMESA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001148842776 1379282191 /nfs/dbraw/zinc/28/21/91/1379282191.db2.gz CCYMLXUSUIGHGZ-IBGZPJMESA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001148842776 1379282195 /nfs/dbraw/zinc/28/21/95/1379282195.db2.gz CCYMLXUSUIGHGZ-IBGZPJMESA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC[C@H]1CCC[C@@H](C)C1)C2 ZINC001148842845 1379282352 /nfs/dbraw/zinc/28/23/52/1379282352.db2.gz CZXAYBKWTXOGNP-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CC[C@H]1CCC[C@@H](C)C1)C2 ZINC001148842845 1379282356 /nfs/dbraw/zinc/28/23/56/1379282356.db2.gz CZXAYBKWTXOGNP-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CC[C@H]1CCC[C@@H](C)C1)C2 ZINC001148842845 1379282361 /nfs/dbraw/zinc/28/23/61/1379282361.db2.gz CZXAYBKWTXOGNP-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C(C)C)C[C@H]1C ZINC001284018599 1379367414 /nfs/dbraw/zinc/36/74/14/1379367414.db2.gz UKAFECGVTABVHC-MJGOQNOKSA-N 2 1 345.531 3.231 20 0 EGADMP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1CCCC1CCCC1 ZINC001284131398 1379513180 /nfs/dbraw/zinc/51/31/80/1379513180.db2.gz KZVQRHVLYMDAGB-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C)cc2C)[C@H]1C ZINC001284155235 1379551315 /nfs/dbraw/zinc/55/13/15/1379551315.db2.gz UEGOZRVAENYJMJ-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)cc2C)[C@H]1C ZINC001284155235 1379551319 /nfs/dbraw/zinc/55/13/19/1379551319.db2.gz UEGOZRVAENYJMJ-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C)cc2C)[C@H]1C ZINC001284155235 1379551321 /nfs/dbraw/zinc/55/13/21/1379551321.db2.gz UEGOZRVAENYJMJ-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001150568592 1379570439 /nfs/dbraw/zinc/57/04/39/1379570439.db2.gz URODNNVBUQRIRK-OKYOBFRVSA-N 2 1 343.515 3.153 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2c(C)cccc2C)C1 ZINC001284244538 1379628637 /nfs/dbraw/zinc/62/86/37/1379628637.db2.gz RISWMCSWLUFPNM-RTBURBONSA-N 2 1 345.531 3.020 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC001327918769 1388623475 /nfs/dbraw/zinc/62/34/75/1388623475.db2.gz VPQCWXQXYKMYDG-HNNXBMFYSA-N 2 1 348.560 3.406 20 0 EGADMP CC[N@@H+](CC/C=C\c1ccccc1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392805 1379925756 /nfs/dbraw/zinc/92/57/56/1379925756.db2.gz UVVXBEJYCBUYEZ-FLXMXVCVSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](CC/C=C\c1ccccc1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152392805 1379925762 /nfs/dbraw/zinc/92/57/62/1379925762.db2.gz UVVXBEJYCBUYEZ-FLXMXVCVSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](CC/C=C\c1ccccc1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152392805 1379925769 /nfs/dbraw/zinc/92/57/69/1379925769.db2.gz UVVXBEJYCBUYEZ-FLXMXVCVSA-N 2 1 343.515 3.011 20 0 EGADMP CC[N@@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153312334 1380053920 /nfs/dbraw/zinc/05/39/20/1380053920.db2.gz FTQZCETXSVAFNH-IEBWSBKVSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153312334 1380053922 /nfs/dbraw/zinc/05/39/22/1380053922.db2.gz FTQZCETXSVAFNH-IEBWSBKVSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153312334 1380053923 /nfs/dbraw/zinc/05/39/23/1380053923.db2.gz FTQZCETXSVAFNH-IEBWSBKVSA-N 2 1 349.563 3.266 20 0 EGADMP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153451452 1380079208 /nfs/dbraw/zinc/07/92/08/1380079208.db2.gz DPHBAWSVMJGVDX-ZHALLVOQSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153451452 1380079210 /nfs/dbraw/zinc/07/92/10/1380079210.db2.gz DPHBAWSVMJGVDX-ZHALLVOQSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153451452 1380079212 /nfs/dbraw/zinc/07/92/12/1380079212.db2.gz DPHBAWSVMJGVDX-ZHALLVOQSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)Cc2ccccc2C)CC[N@H+]1C ZINC001153501901 1380085840 /nfs/dbraw/zinc/08/58/40/1380085840.db2.gz YGMDLLNOXDIQIW-YZGWKJHDSA-N 2 1 345.531 3.052 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc2ccccc2C)CC[NH+]1C ZINC001153501901 1380085841 /nfs/dbraw/zinc/08/58/41/1380085841.db2.gz YGMDLLNOXDIQIW-YZGWKJHDSA-N 2 1 345.531 3.052 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ccccc2C)CC[NH+]1C ZINC001153501901 1380085843 /nfs/dbraw/zinc/08/58/43/1380085843.db2.gz YGMDLLNOXDIQIW-YZGWKJHDSA-N 2 1 345.531 3.052 20 0 EGADMP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153819228 1380136786 /nfs/dbraw/zinc/13/67/86/1380136786.db2.gz SYXJTAOTQDZCKW-HZPDHXFCSA-N 2 1 334.508 3.023 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153819228 1380136787 /nfs/dbraw/zinc/13/67/87/1380136787.db2.gz SYXJTAOTQDZCKW-HZPDHXFCSA-N 2 1 334.508 3.023 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153880128 1380148812 /nfs/dbraw/zinc/14/88/12/1380148812.db2.gz ZUSBIMUTEZMCPL-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC1CCCCC1)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153880128 1380148814 /nfs/dbraw/zinc/14/88/14/1380148814.db2.gz ZUSBIMUTEZMCPL-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC1CCCCC1)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153880128 1380148816 /nfs/dbraw/zinc/14/88/16/1380148816.db2.gz ZUSBIMUTEZMCPL-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCc1cccc(C[N@H+](CC)[C@H](C)CNC(=O)[C@H]2CCCC[NH+]2C)c1 ZINC001154034233 1380188017 /nfs/dbraw/zinc/18/80/17/1380188017.db2.gz XHQKATZWSNGPDV-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[NH+](CC)[C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001154034233 1380188020 /nfs/dbraw/zinc/18/80/20/1380188020.db2.gz XHQKATZWSNGPDV-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[NH+](CC)[C@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC001154034233 1380188024 /nfs/dbraw/zinc/18/80/24/1380188024.db2.gz XHQKATZWSNGPDV-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001154083234 1380201666 /nfs/dbraw/zinc/20/16/66/1380201666.db2.gz MYVUEDUCBRGYMX-JTHGQSKGSA-N 2 1 346.519 3.091 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167970 1380220059 /nfs/dbraw/zinc/22/00/59/1380220059.db2.gz XNYSSLGBVCWNNW-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154347765 1380261726 /nfs/dbraw/zinc/26/17/26/1380261726.db2.gz JZADYAUOYWVHCH-MRXNPFEDSA-N 2 1 342.487 3.355 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455174 1380280826 /nfs/dbraw/zinc/28/08/26/1380280826.db2.gz IQVHTRWIENMMRV-VQIMIIECSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154464464 1380282997 /nfs/dbraw/zinc/28/29/97/1380282997.db2.gz MHUMYYAPAHVESS-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC001154465933 1380283154 /nfs/dbraw/zinc/28/31/54/1380283154.db2.gz PAENNZJDSJNEFA-BJLQDIEVSA-N 2 1 345.531 3.224 20 0 EGADMP CC[N@@H+](Cc1ccccc1F)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580230 1380308961 /nfs/dbraw/zinc/30/89/61/1380308961.db2.gz RRUJQQTYETZMNR-MRXNPFEDSA-N 2 1 349.494 3.027 20 0 EGADMP CC[N@@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580043 1380309155 /nfs/dbraw/zinc/30/91/55/1380309155.db2.gz MBRLXDWZLDRPON-QGZVFWFLSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154887667 1380373057 /nfs/dbraw/zinc/37/30/57/1380373057.db2.gz BIUZTYOVOJIZDT-MRXNPFEDSA-N 2 1 347.503 3.282 20 0 EGADMP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155085815 1380405918 /nfs/dbraw/zinc/40/59/18/1380405918.db2.gz ULRCXLNEAZIMIZ-IEBWSBKVSA-N 2 1 339.568 3.370 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155282979 1380433073 /nfs/dbraw/zinc/43/30/73/1380433073.db2.gz GEELAXLIIHVHHK-QZEKMECESA-N 2 1 337.552 3.291 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001155282979 1380433074 /nfs/dbraw/zinc/43/30/74/1380433074.db2.gz GEELAXLIIHVHHK-QZEKMECESA-N 2 1 337.552 3.291 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001155282979 1380433075 /nfs/dbraw/zinc/43/30/75/1380433075.db2.gz GEELAXLIIHVHHK-QZEKMECESA-N 2 1 337.552 3.291 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155283699 1380433439 /nfs/dbraw/zinc/43/34/39/1380433439.db2.gz WVGRMTOKKWUHJP-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](CCCC(C)(C)C)[C@H](C)CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001155283699 1380433440 /nfs/dbraw/zinc/43/34/40/1380433440.db2.gz WVGRMTOKKWUHJP-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](CCCC(C)(C)C)[C@H](C)CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001155283699 1380433441 /nfs/dbraw/zinc/43/34/41/1380433441.db2.gz WVGRMTOKKWUHJP-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP Cc1ccc2c(c1)cc(Cl)nc2N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155375191 1380443326 /nfs/dbraw/zinc/44/33/26/1380443326.db2.gz CEKUOMQEENZYDM-MRXNPFEDSA-N 2 1 344.890 3.056 20 0 EGADMP COc1ccc2cc[nH+]c(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)c2c1 ZINC001155384207 1380444067 /nfs/dbraw/zinc/44/40/67/1380444067.db2.gz ONXKUXZAXMNDLA-QGZVFWFLSA-N 2 1 341.455 3.204 20 0 EGADMP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559541 1380468761 /nfs/dbraw/zinc/46/87/61/1380468761.db2.gz SJOGYMBSMOKQDT-QGZVFWFLSA-N 2 1 346.519 3.334 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559541 1380468762 /nfs/dbraw/zinc/46/87/62/1380468762.db2.gz SJOGYMBSMOKQDT-QGZVFWFLSA-N 2 1 346.519 3.334 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(N[C@H]4C[NH+]5CCC4CC5)ccc3C2)cc1 ZINC001155662395 1380479922 /nfs/dbraw/zinc/47/99/22/1380479922.db2.gz AHXLKMZPOSJVNW-NRFANRHFSA-N 2 1 348.494 3.146 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155993937 1380511786 /nfs/dbraw/zinc/51/17/86/1380511786.db2.gz BKRIFGBWMMNKMD-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](Cc1ccc(Cl)cc1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156193601 1380539299 /nfs/dbraw/zinc/53/92/99/1380539299.db2.gz GDTYYIFCTWQUIH-OAHLLOKOSA-N 2 1 339.911 3.008 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(Cl)cc1 ZINC001156193601 1380539300 /nfs/dbraw/zinc/53/93/00/1380539300.db2.gz GDTYYIFCTWQUIH-OAHLLOKOSA-N 2 1 339.911 3.008 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(Cl)cc1 ZINC001156193601 1380539302 /nfs/dbraw/zinc/53/93/02/1380539302.db2.gz GDTYYIFCTWQUIH-OAHLLOKOSA-N 2 1 339.911 3.008 20 0 EGADMP CC[NH+](CC/C=C\c1ccccc1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156194767 1380539860 /nfs/dbraw/zinc/53/98/60/1380539860.db2.gz VNZLSOWRTVSEKM-LMICACPXSA-N 2 1 345.531 3.258 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CC/C=C\c1ccccc1 ZINC001156194767 1380539861 /nfs/dbraw/zinc/53/98/61/1380539861.db2.gz VNZLSOWRTVSEKM-LMICACPXSA-N 2 1 345.531 3.258 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CC/C=C\c1ccccc1 ZINC001156194767 1380539862 /nfs/dbraw/zinc/53/98/62/1380539862.db2.gz VNZLSOWRTVSEKM-LMICACPXSA-N 2 1 345.531 3.258 20 0 EGADMP COc1cc2c[nH+]c(NCC[C@@H]3CCC[N@@H+](C)C3)cc2cc1OC ZINC001156386405 1380569529 /nfs/dbraw/zinc/56/95/29/1380569529.db2.gz SHECNYBSCVIWCZ-AWEZNQCLSA-N 2 1 329.444 3.396 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428213 1380574718 /nfs/dbraw/zinc/57/47/18/1380574718.db2.gz BGPQRBWXXJACLC-MRXNPFEDSA-N 2 1 346.519 3.168 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001328103319 1388674140 /nfs/dbraw/zinc/67/41/40/1388674140.db2.gz SOXUQGSUZUMJSP-MJGOQNOKSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157086415 1380772653 /nfs/dbraw/zinc/77/26/53/1380772653.db2.gz SRTRZTNVPAJOSW-DLBZAZTESA-N 2 1 333.520 3.235 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109480 1380776731 /nfs/dbraw/zinc/77/67/31/1380776731.db2.gz PACZNCRLHMVPAH-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCCC1CCC1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001157109480 1380776735 /nfs/dbraw/zinc/77/67/35/1380776735.db2.gz PACZNCRLHMVPAH-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001157118524 1380780190 /nfs/dbraw/zinc/78/01/90/1380780190.db2.gz HKMRMKCKHCWKAB-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157138264 1380784158 /nfs/dbraw/zinc/78/41/58/1380784158.db2.gz QUNBWQPQAOYJQW-IAGOWNOFSA-N 2 1 333.520 3.235 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157137869 1380784506 /nfs/dbraw/zinc/78/45/06/1380784506.db2.gz GIRUYMMVGWIQIM-QGZVFWFLSA-N 2 1 333.520 3.235 20 0 EGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(CC[NH3+])c2cccnc2)nc1 ZINC001158001483 1381098563 /nfs/dbraw/zinc/09/85/63/1381098563.db2.gz JJYFCEGQDIMMMP-SFHVURJKSA-N 2 1 325.460 3.120 20 0 EGADMP CC(C)(C)CC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158100056 1381127269 /nfs/dbraw/zinc/12/72/69/1381127269.db2.gz VYDYFRDNTOCCTL-KRWDZBQOSA-N 2 1 337.552 3.173 20 0 EGADMP COc1ccc2c[nH+]c(N3CCN(c4cc[nH+]cc4C)CC3)cc2c1 ZINC001158108934 1381130434 /nfs/dbraw/zinc/13/04/34/1381130434.db2.gz ZIUVFODPAFLEIM-UHFFFAOYSA-N 2 1 334.423 3.273 20 0 EGADMP COc1ccc2cc[nH+]c(N3CCN(c4cc[nH+]cc4C)CC3)c2c1 ZINC001158107875 1381130483 /nfs/dbraw/zinc/13/04/83/1381130483.db2.gz KLRNCNCFBMBVRM-UHFFFAOYSA-N 2 1 334.423 3.273 20 0 EGADMP CC1(C)C[C@@H](Nc2cc[nH+]c(N3CCCCC3)n2)C[C@](C)(C[NH3+])C1 ZINC001158265632 1381178453 /nfs/dbraw/zinc/17/84/53/1381178453.db2.gz PCLQLRPVJJPDGV-BEFAXECRSA-N 2 1 331.508 3.423 20 0 EGADMP CC[N@H+]1CCCC[C@H]1c1ccc(-n2ncc3c2cccc3C[NH3+])nc1 ZINC001158312245 1381196000 /nfs/dbraw/zinc/19/60/00/1381196000.db2.gz BJTXHHSQYSMELX-SFHVURJKSA-N 2 1 335.455 3.426 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC001158438277 1381246965 /nfs/dbraw/zinc/24/69/65/1381246965.db2.gz QUTDJXUPCZYCEY-LJQANCHMSA-N 2 1 335.536 3.142 20 0 EGADMP Cc1ccc(C[N@H+](C)C[C@H]2CCCCN2C(=O)CC[NH+](C)C)cc1C ZINC001158450126 1381249825 /nfs/dbraw/zinc/24/98/25/1381249825.db2.gz LFUURDNDFLGSMJ-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001158486488 1381263886 /nfs/dbraw/zinc/26/38/86/1381263886.db2.gz DWRXDXMMWZPBKH-MSOLQXFVSA-N 2 1 325.541 3.220 20 0 EGADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3NCC[C@H]2CCC[NH2+]2)cc1 ZINC001158627926 1381330871 /nfs/dbraw/zinc/33/08/71/1381330871.db2.gz RSUGURMCRYIEJY-MRXNPFEDSA-N 2 1 339.418 3.173 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CCCC(C)C ZINC001158704725 1381361157 /nfs/dbraw/zinc/36/11/57/1381361157.db2.gz UFQMLISNLNQNQQ-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC(C)C ZINC001158704725 1381361167 /nfs/dbraw/zinc/36/11/67/1381361167.db2.gz UFQMLISNLNQNQQ-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC(C)C ZINC001158704725 1381361177 /nfs/dbraw/zinc/36/11/77/1381361177.db2.gz UFQMLISNLNQNQQ-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CC2(CCC2)C1 ZINC001158923192 1381465663 /nfs/dbraw/zinc/46/56/63/1381465663.db2.gz TXHBZIRTEMHBSB-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC2(CCC2)C1 ZINC001158923192 1381465678 /nfs/dbraw/zinc/46/56/78/1381465678.db2.gz TXHBZIRTEMHBSB-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC2(CCC2)C1 ZINC001158923192 1381465685 /nfs/dbraw/zinc/46/56/85/1381465685.db2.gz TXHBZIRTEMHBSB-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cn2)C1 ZINC001328379412 1388733676 /nfs/dbraw/zinc/73/36/76/1388733676.db2.gz WZVGCVJKLRFMHC-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cn2)C1 ZINC001328379412 1388733679 /nfs/dbraw/zinc/73/36/79/1388733679.db2.gz WZVGCVJKLRFMHC-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP Cc1cnc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C[NH3+])c1 ZINC001159294448 1381754631 /nfs/dbraw/zinc/75/46/31/1381754631.db2.gz UQEATAYRHNQKFQ-OWZKRDHZSA-N 2 1 336.483 3.456 20 0 EGADMP C[NH+]1CCN(C2(c3ccc(Nc4ccc5c(c4)C[NH2+]C5)cc3)CC2)CC1 ZINC001159470353 1381801887 /nfs/dbraw/zinc/80/18/87/1381801887.db2.gz CFEHSKGSRNVXPD-UHFFFAOYSA-N 2 1 348.494 3.270 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001159909244 1381934382 /nfs/dbraw/zinc/93/43/82/1381934382.db2.gz MCCHRHAGVPKJSJ-ICSRJNTNSA-N 2 1 345.531 3.415 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001159911476 1381935302 /nfs/dbraw/zinc/93/53/02/1381935302.db2.gz YXDYOBPUMXASJC-RBUKOAKNSA-N 2 1 345.531 3.415 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC001160274225 1382058667 /nfs/dbraw/zinc/05/86/67/1382058667.db2.gz RIMZRDBIDGZZKH-QUCCMNQESA-N 2 1 343.515 3.034 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)CC[C@H]2CCC[N@H+]2C)c1 ZINC001160274460 1382058723 /nfs/dbraw/zinc/05/87/23/1382058723.db2.gz SPWYBFFZOZZDJO-RTBURBONSA-N 2 1 345.531 3.335 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160273401 1382058798 /nfs/dbraw/zinc/05/87/98/1382058798.db2.gz LUBRTBVFQXDKJA-ZWKOTPCHSA-N 2 1 331.504 3.026 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CC(CC)CC)CC1 ZINC001160285912 1382062437 /nfs/dbraw/zinc/06/24/37/1382062437.db2.gz LBUVZHHQUNMGRF-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC(CC)CC)CC1 ZINC001160285912 1382062442 /nfs/dbraw/zinc/06/24/42/1382062442.db2.gz LBUVZHHQUNMGRF-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC(CC)CC)CC1 ZINC001160285912 1382062444 /nfs/dbraw/zinc/06/24/44/1382062444.db2.gz LBUVZHHQUNMGRF-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360719 1382083073 /nfs/dbraw/zinc/08/30/73/1382083073.db2.gz VSHKAETYCREIGW-HXUWFJFHSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160360719 1382083078 /nfs/dbraw/zinc/08/30/78/1382083078.db2.gz VSHKAETYCREIGW-HXUWFJFHSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160360719 1382083083 /nfs/dbraw/zinc/08/30/83/1382083083.db2.gz VSHKAETYCREIGW-HXUWFJFHSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160399989 1382094926 /nfs/dbraw/zinc/09/49/26/1382094926.db2.gz ISNWGVHNPVQILT-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001160399989 1382094929 /nfs/dbraw/zinc/09/49/29/1382094929.db2.gz ISNWGVHNPVQILT-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001160399989 1382094933 /nfs/dbraw/zinc/09/49/33/1382094933.db2.gz ISNWGVHNPVQILT-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP Cc1nc(Nc2ccc(C[NH3+])cc2C(F)(F)F)cc(N(C)C)[nH+]1 ZINC001160417855 1382099319 /nfs/dbraw/zinc/09/93/19/1382099319.db2.gz LPEQNIXHYCGRPO-UHFFFAOYSA-N 2 1 325.338 3.072 20 0 EGADMP C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328491637 1388763146 /nfs/dbraw/zinc/76/31/46/1388763146.db2.gz HRERSSWQXYBCNV-ZDUSSCGKSA-N 2 1 332.473 3.325 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CC2=CCCCC2)CC1 ZINC001160500114 1382124693 /nfs/dbraw/zinc/12/46/93/1382124693.db2.gz LEPZIZIINXQRBE-FQEVSTJZSA-N 2 1 345.531 3.110 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2=CCCCC2)CC1 ZINC001160500114 1382124697 /nfs/dbraw/zinc/12/46/97/1382124697.db2.gz LEPZIZIINXQRBE-FQEVSTJZSA-N 2 1 345.531 3.110 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2=CCCCC2)CC1 ZINC001160500114 1382124703 /nfs/dbraw/zinc/12/47/03/1382124703.db2.gz LEPZIZIINXQRBE-FQEVSTJZSA-N 2 1 345.531 3.110 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160500712 1382125153 /nfs/dbraw/zinc/12/51/53/1382125153.db2.gz QZLGAYHEOTUAGB-ICSRJNTNSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001160500712 1382125155 /nfs/dbraw/zinc/12/51/55/1382125155.db2.gz QZLGAYHEOTUAGB-ICSRJNTNSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001160500712 1382125157 /nfs/dbraw/zinc/12/51/57/1382125157.db2.gz QZLGAYHEOTUAGB-ICSRJNTNSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@@H](C)C1CCC(Nc2nc(N3CCC([NH3+])CC3)cc[nH+]2)CC1 ZINC001160668089 1382165619 /nfs/dbraw/zinc/16/56/19/1382165619.db2.gz SDUKSXHSMQXAPD-HPUBIQBYSA-N 2 1 331.508 3.421 20 0 EGADMP CC[C@@H]1CCCC[C@H]1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC001292582131 1382204531 /nfs/dbraw/zinc/20/45/31/1382204531.db2.gz KAWUSJMGBOBSQL-GUDVDZBRSA-N 2 1 337.552 3.077 20 0 EGADMP O=C(NCCC[NH2+]CC1CCCCCC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001160869768 1382219974 /nfs/dbraw/zinc/21/99/74/1382219974.db2.gz SMFHNQWYHXTIBO-RBUKOAKNSA-N 2 1 335.536 3.070 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC2=CC[NH+](CCC3CC3)CC2)C1 ZINC001160986349 1382262407 /nfs/dbraw/zinc/26/24/07/1382262407.db2.gz PROUUSXQABGSFA-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCCC2=CC[N@H+](CCC3CC3)CC2)C1 ZINC001160986349 1382262412 /nfs/dbraw/zinc/26/24/12/1382262412.db2.gz PROUUSXQABGSFA-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCCC2=CC[N@@H+](CCC3CC3)CC2)C1 ZINC001160986349 1382262417 /nfs/dbraw/zinc/26/24/17/1382262417.db2.gz PROUUSXQABGSFA-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161391696 1382396731 /nfs/dbraw/zinc/39/67/31/1382396731.db2.gz VVGJNOQDYURHQD-PLNGDYQASA-N 2 1 347.547 3.213 20 0 EGADMP CCCCC[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465714 1382417172 /nfs/dbraw/zinc/41/71/72/1382417172.db2.gz YHXFWOAHVOXFKC-UHFFFAOYSA-N 2 1 346.519 3.300 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465714 1382417173 /nfs/dbraw/zinc/41/71/73/1382417173.db2.gz YHXFWOAHVOXFKC-UHFFFAOYSA-N 2 1 346.519 3.300 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161492079 1382421516 /nfs/dbraw/zinc/42/15/16/1382421516.db2.gz PXYFDFCMDIDLTD-LJQANCHMSA-N 2 1 337.552 3.291 20 0 EGADMP CC[NH+](CC)CC(=O)NCCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001161504341 1382424640 /nfs/dbraw/zinc/42/46/40/1382424640.db2.gz IPVFMWKNORTZMQ-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001161504161 1382424975 /nfs/dbraw/zinc/42/49/75/1382424975.db2.gz DTYSFHSUTXSXPU-CMDGGOBGSA-N 2 1 335.536 3.213 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH+](CC)Cc2ccccc2)CC1 ZINC001328588953 1388784638 /nfs/dbraw/zinc/78/46/38/1388784638.db2.gz QZJPJFGUFYLFRJ-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC(C[N@H+](CC)Cc2ccccc2)CC1 ZINC001328588953 1388784641 /nfs/dbraw/zinc/78/46/41/1388784641.db2.gz QZJPJFGUFYLFRJ-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC(C[N@@H+](CC)Cc2ccccc2)CC1 ZINC001328588953 1388784646 /nfs/dbraw/zinc/78/46/46/1388784646.db2.gz QZJPJFGUFYLFRJ-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161554748 1382438378 /nfs/dbraw/zinc/43/83/78/1382438378.db2.gz REQCTBAUXAOCFW-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP COc1ccc2c[nH+]c(N3CCC([NH3+])(c4cccnc4)CC3)cc2c1 ZINC001161581766 1382446340 /nfs/dbraw/zinc/44/63/40/1382446340.db2.gz CFRKMMPVYWZJJG-UHFFFAOYSA-N 2 1 334.423 3.093 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001161649272 1382470009 /nfs/dbraw/zinc/47/00/09/1382470009.db2.gz AEVCSLMAVGAOQD-HXUWFJFHSA-N 2 1 345.531 3.020 20 0 EGADMP CC[NH+](CC)Cc1c(Br)cccc1NCC[NH+](C)C ZINC001161672850 1382476518 /nfs/dbraw/zinc/47/65/18/1382476518.db2.gz KUFRHHNMNZTDPW-UHFFFAOYSA-N 2 1 328.298 3.264 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161699223 1382483961 /nfs/dbraw/zinc/48/39/61/1382483961.db2.gz OKDJWKFCURRHJQ-PRPIBZDOSA-N 2 1 347.547 3.213 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161699223 1382483962 /nfs/dbraw/zinc/48/39/62/1382483962.db2.gz OKDJWKFCURRHJQ-PRPIBZDOSA-N 2 1 347.547 3.213 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161699223 1382483967 /nfs/dbraw/zinc/48/39/67/1382483967.db2.gz OKDJWKFCURRHJQ-PRPIBZDOSA-N 2 1 347.547 3.213 20 0 EGADMP [NH3+]C1CC[NH+](CCNc2ccc(-c3cccc4ccccc43)nn2)CC1 ZINC001161870087 1382535173 /nfs/dbraw/zinc/53/51/73/1382535173.db2.gz FZIAYHWNEIOFPI-UHFFFAOYSA-N 2 1 347.466 3.132 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161952950 1382569745 /nfs/dbraw/zinc/56/97/45/1382569745.db2.gz MEHRZUKPBHFYCK-KKHYBRAUSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001161952950 1382569747 /nfs/dbraw/zinc/56/97/47/1382569747.db2.gz MEHRZUKPBHFYCK-KKHYBRAUSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001161952950 1382569754 /nfs/dbraw/zinc/56/97/54/1382569754.db2.gz MEHRZUKPBHFYCK-KKHYBRAUSA-N 2 1 347.547 3.356 20 0 EGADMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001162454924 1382761043 /nfs/dbraw/zinc/76/10/43/1382761043.db2.gz BLXSLURWZMRBTG-UONOGXRCSA-N 2 1 334.464 3.476 20 0 EGADMP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NC[C@@H]1CCCC[C@@H]1C ZINC001162524715 1382780642 /nfs/dbraw/zinc/78/06/42/1382780642.db2.gz OLEAWKOWCUPKTF-YOEHRIQHSA-N 2 1 331.508 3.198 20 0 EGADMP Cc1cc(N2CCOCC2)[nH+]cc1-n1ccc2cc([C@H](C)[NH3+])ccc21 ZINC001162908254 1382912616 /nfs/dbraw/zinc/91/26/16/1382912616.db2.gz CNTZAEKJMMCHFN-HNNXBMFYSA-N 2 1 336.439 3.190 20 0 EGADMP c1ccc(C[N@H+]2CCc3c(ccnc3N[C@@]34CCC[C@@H]3[NH2+]CC4)C2)cc1 ZINC001162984393 1382937257 /nfs/dbraw/zinc/93/72/57/1382937257.db2.gz VTJLOTSYCWXBLS-RBBKRZOGSA-N 2 1 348.494 3.336 20 0 EGADMP Cc1cc(C)c2[nH+]c(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)cc(C)c2c1 ZINC001163162470 1382980837 /nfs/dbraw/zinc/98/08/37/1382980837.db2.gz BIEQCINZSYEYMZ-JFIYKMOQSA-N 2 1 325.456 3.196 20 0 EGADMP C[N@@H+](CCC(=O)NCCC[NH2+]Cc1ccccc1F)C1CCCCC1 ZINC001163275301 1383010791 /nfs/dbraw/zinc/01/07/91/1383010791.db2.gz YMHLSPZFLYAKAE-UHFFFAOYSA-N 2 1 349.494 3.076 20 0 EGADMP C1=CC[C@@H](C[NH+]2CCC(Nc3nc(N4CCCC4)cc[nH+]3)CC2)CC1 ZINC001163313389 1383018897 /nfs/dbraw/zinc/01/88/97/1383018897.db2.gz OTZLNFOBLGRFTC-QGZVFWFLSA-N 2 1 341.503 3.309 20 0 EGADMP CSc1c[nH]c2nc[nH+]c(NCc3cccc(C[NH+](C)C)c3)c12 ZINC001163994236 1383144378 /nfs/dbraw/zinc/14/43/78/1383144378.db2.gz WMQPCRLEGSEKLL-UHFFFAOYSA-N 2 1 327.457 3.305 20 0 EGADMP COc1cc2ccccc2cc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164216745 1383166917 /nfs/dbraw/zinc/16/69/17/1383166917.db2.gz JUCFKZCVXUYNMJ-UHFFFAOYSA-N 2 1 327.472 3.286 20 0 EGADMP C[NH+](C)C1(CNc2cnc(F)c(-c3ccccc3)c2)CC[NH+](C)CC1 ZINC001164216632 1383167138 /nfs/dbraw/zinc/16/71/38/1383167138.db2.gz GNIVCTVAPLWWEL-UHFFFAOYSA-N 2 1 342.462 3.326 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CCC2CCCCC2)C1 ZINC001164449085 1383187804 /nfs/dbraw/zinc/18/78/04/1383187804.db2.gz CCDVYNOAFVFNJN-LJQANCHMSA-N 2 1 337.552 3.175 20 0 EGADMP Nc1[nH]c2ccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc2[nH+]1 ZINC001164491178 1383192596 /nfs/dbraw/zinc/19/25/96/1383192596.db2.gz CMHGNIKVTAAQDF-RYQLBKOJSA-N 2 1 347.466 3.468 20 0 EGADMP O=C(NCCC[NH2+]Cc1ccccc1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164491723 1383192650 /nfs/dbraw/zinc/19/26/50/1383192650.db2.gz NBTLKNIZZPROOA-FQEVSTJZSA-N 2 1 343.515 3.080 20 0 EGADMP CC(C)(C)CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164491539 1383192679 /nfs/dbraw/zinc/19/26/79/1383192679.db2.gz JVFBPEQKZWESQK-GOSISDBHSA-N 2 1 337.552 3.316 20 0 EGADMP Cc1[nH+]ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1F ZINC001164499547 1383193828 /nfs/dbraw/zinc/19/38/28/1383193828.db2.gz RRXIBBZDNFNWGS-OKZBNKHCSA-N 2 1 325.431 3.274 20 0 EGADMP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531364 1383196966 /nfs/dbraw/zinc/19/69/66/1383196966.db2.gz FVAIDJXGDMNDGY-QZTJIDSGSA-N 2 1 349.563 3.173 20 0 EGADMP Cc1c[nH+]c(N2CCC(C3CC[NH+](C)CC3)CC2)nc1NCC1CC1 ZINC001165065141 1383220528 /nfs/dbraw/zinc/22/05/28/1383220528.db2.gz FODHTOUUVVEUHP-UHFFFAOYSA-N 2 1 343.519 3.165 20 0 EGADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@]4(C3)CCC[NH2+]C4)c12 ZINC001165238587 1383255231 /nfs/dbraw/zinc/25/52/31/1383255231.db2.gz DWGHDTIIDXMRJM-NRFANRHFSA-N 2 1 347.466 3.060 20 0 EGADMP FC(F)(F)[C@@H]1N(c2ccc3c([nH+]2)CCCC3)CCC12CC[NH2+]CC2 ZINC001165266746 1383262663 /nfs/dbraw/zinc/26/26/63/1383262663.db2.gz UESULHQTIDYVMW-MRXNPFEDSA-N 2 1 339.405 3.471 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001165333130 1383275529 /nfs/dbraw/zinc/27/55/29/1383275529.db2.gz MWCNHSNXROPBOY-KRWDZBQOSA-N 2 1 337.552 3.173 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001165472547 1383300164 /nfs/dbraw/zinc/30/01/64/1383300164.db2.gz MRCQHIIOZZXTSI-UEKDZROGSA-N 2 1 349.563 3.197 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001165809910 1383349197 /nfs/dbraw/zinc/34/91/97/1383349197.db2.gz SWPDESXMOVJPQO-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCC1(C[NH2+]CC2CCC2)CC1 ZINC001165895343 1383359110 /nfs/dbraw/zinc/35/91/10/1383359110.db2.gz YGNOXMBRGYMIDL-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H]([NH2+]CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC001166686695 1383460771 /nfs/dbraw/zinc/46/07/71/1383460771.db2.gz DITJKBBJCQNAJA-OXQOHEQNSA-N 2 1 349.494 3.056 20 0 EGADMP C[N@@H+](CC(=O)NCCC[NH2+]CCCCc1ccccc1)CC(C)(C)C ZINC001166744261 1383469903 /nfs/dbraw/zinc/46/99/03/1383469903.db2.gz ODRIFYOLTKYWAJ-UHFFFAOYSA-N 2 1 347.547 3.083 20 0 EGADMP C[N@@H+](CC(=O)NCCC[NH2+]CCCC1CCCC1)CC(C)(C)C ZINC001166743977 1383470043 /nfs/dbraw/zinc/47/00/43/1383470043.db2.gz BMGVZLDGPMYXMY-UHFFFAOYSA-N 2 1 325.541 3.031 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001166765075 1383474013 /nfs/dbraw/zinc/47/40/13/1383474013.db2.gz QLJRHULMKHPFBY-UHFFFAOYSA-N 2 1 345.531 3.138 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC2(C[NH2+]CC3CC(C)C3)CC2)C1 ZINC001166793309 1383478335 /nfs/dbraw/zinc/47/83/35/1383478335.db2.gz ILGJBBOOJMTNIY-CTWPCTMYSA-N 2 1 349.563 3.031 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001167472085 1383643068 /nfs/dbraw/zinc/64/30/68/1383643068.db2.gz UGBMCLGYCUQUCU-UHFFFAOYSA-N 2 1 348.535 3.319 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001167628148 1383693509 /nfs/dbraw/zinc/69/35/09/1383693509.db2.gz WOAJULRDPYKINK-LJQANCHMSA-N 2 1 335.536 3.236 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC001167824047 1383749301 /nfs/dbraw/zinc/74/93/01/1383749301.db2.gz BEWOLZNQRCZJRL-MRXNPFEDSA-N 2 1 332.488 3.342 20 0 EGADMP CC[C@@H]1[N@H+]([C@@H](C)CCC[NH+](CC)CC)CCC[C@]12CCC(=O)N2C ZINC001167823158 1383749464 /nfs/dbraw/zinc/74/94/64/1383749464.db2.gz JOKBTKXADJXKHF-BJLQDIEVSA-N 2 1 337.552 3.362 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001167823531 1383749508 /nfs/dbraw/zinc/74/95/08/1383749508.db2.gz DGWWHPPTRLNHKV-CADBVGFASA-N 2 1 349.563 3.124 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)N(c1cc(OC)ccn1)C1CC[NH2+]CC1 ZINC001167835866 1383753762 /nfs/dbraw/zinc/75/37/62/1383753762.db2.gz UYPQXJVRLFNBNW-KRWDZBQOSA-N 2 1 348.535 3.159 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2nccc(C)n2)C1 ZINC001167836424 1383755336 /nfs/dbraw/zinc/75/53/36/1383755336.db2.gz ZWIUWMXPCZSJHF-QZTJIDSGSA-N 2 1 334.508 3.139 20 0 EGADMP c1cn(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)cc2)cn1 ZINC001167964911 1383780479 /nfs/dbraw/zinc/78/04/79/1383780479.db2.gz ZYPBNEUOAAMJEZ-VCSGRIEYSA-N 3 1 336.483 3.367 20 0 EGADMP O=C(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)Nc1ccccc1 ZINC001167967546 1383781552 /nfs/dbraw/zinc/78/15/52/1383781552.db2.gz GXMOUAWYBBKHLZ-YQQQUEKLSA-N 2 1 327.472 3.010 20 0 EGADMP O[C@@]12C[C@@H]3C[C@@H](C[C@@]([NH2+]C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)(C3)C1)C2 ZINC001167968563 1383781852 /nfs/dbraw/zinc/78/18/52/1383781852.db2.gz RNDQJTXCWHCBJV-VCKKMPECSA-N 2 1 330.516 3.065 20 0 EGADMP C[C@@H](C[NH3+])CN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167974276 1383783305 /nfs/dbraw/zinc/78/33/05/1383783305.db2.gz TZZMQVKUQPQCEE-HNYYDBCASA-N 2 1 341.543 3.489 20 0 EGADMP COc1cccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)n1 ZINC001167979015 1383785498 /nfs/dbraw/zinc/78/54/98/1383785498.db2.gz SATDYSZSWONTJK-AYHJJNSGSA-N 2 1 341.499 3.117 20 0 EGADMP CCOC(C[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)OCC ZINC001168007586 1383795276 /nfs/dbraw/zinc/79/52/76/1383795276.db2.gz AZDOWXXXVUMZCW-IAGOWNOFSA-N 2 1 334.504 3.417 20 0 EGADMP C[C@@H]1CC(N2CC[N@H+]3CCC[C@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168053567 1383804435 /nfs/dbraw/zinc/80/44/35/1383804435.db2.gz PEPRNIKMEKYHNU-GGPKGHCWSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315046 1383871681 /nfs/dbraw/zinc/87/16/81/1383871681.db2.gz QEOJKYOCGZGIKC-GTPINHCMSA-N 2 1 339.524 3.048 20 0 EGADMP C[NH+](C)C1CCC([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001168327574 1383874495 /nfs/dbraw/zinc/87/44/95/1383874495.db2.gz OWIQSJUTDVZMGA-QNGMFEMESA-N 3 1 329.532 3.313 20 0 EGADMP C[NH+](C)C1CCC([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001168327574 1383874498 /nfs/dbraw/zinc/87/44/98/1383874498.db2.gz OWIQSJUTDVZMGA-QNGMFEMESA-N 3 1 329.532 3.313 20 0 EGADMP C[NH+](C)C1CCC([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001168327574 1383874503 /nfs/dbraw/zinc/87/45/03/1383874503.db2.gz OWIQSJUTDVZMGA-QNGMFEMESA-N 3 1 329.532 3.313 20 0 EGADMP C[NH+](C)C1CCC([N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001168327574 1383874506 /nfs/dbraw/zinc/87/45/06/1383874506.db2.gz OWIQSJUTDVZMGA-QNGMFEMESA-N 2 1 329.532 3.313 20 0 EGADMP C[NH+](C)C1CCC([N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001168327574 1383874511 /nfs/dbraw/zinc/87/45/11/1383874511.db2.gz OWIQSJUTDVZMGA-QNGMFEMESA-N 2 1 329.532 3.313 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)CC1 ZINC001168329538 1383874691 /nfs/dbraw/zinc/87/46/91/1383874691.db2.gz XCZFRBVIGSYTBB-BUNACBEFSA-N 2 1 342.483 3.201 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001168335181 1383876296 /nfs/dbraw/zinc/87/62/96/1383876296.db2.gz AQOBIGGIPASOEL-IBGZPJMESA-N 2 1 347.547 3.237 20 0 EGADMP COC(=O)[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)[C@H]1c1ccccc1 ZINC001168334256 1383876336 /nfs/dbraw/zinc/87/63/36/1383876336.db2.gz NWJZCVCQHIYXMZ-BTRQGYIVSA-N 2 1 330.472 3.095 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001168335839 1383877125 /nfs/dbraw/zinc/87/71/25/1383877125.db2.gz WAUMLWCZLOAMBS-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168378007 1383889194 /nfs/dbraw/zinc/88/91/94/1383889194.db2.gz JJRCKJRXPMCFCE-SZPZYZBQSA-N 2 1 339.527 3.210 20 0 EGADMP c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168378007 1383889199 /nfs/dbraw/zinc/88/91/99/1383889199.db2.gz JJRCKJRXPMCFCE-SZPZYZBQSA-N 2 1 339.527 3.210 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C1CC[NH+](CC2CC2)CC1 ZINC001168395371 1383895270 /nfs/dbraw/zinc/89/52/70/1383895270.db2.gz XNHOXSXHPLLOSB-RTBURBONSA-N 2 1 341.543 3.456 20 0 EGADMP COc1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCCC[C@@H]3[NH+](C)C)CCO2)cc1 ZINC001168592985 1383943969 /nfs/dbraw/zinc/94/39/69/1383943969.db2.gz BMVXDICXPWMCBL-GTAWCEEGSA-N 2 1 332.488 3.378 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCO[C@@H](c4ccc(OC)cc4)C3)C[C@@H]2C1 ZINC001168674871 1383967444 /nfs/dbraw/zinc/96/74/44/1383967444.db2.gz ZVILTLRPLGSRBU-RCLSDMTESA-N 2 1 344.499 3.189 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001307448557 1383992943 /nfs/dbraw/zinc/99/29/43/1383992943.db2.gz ASYSNURRDOUYKA-KRWDZBQOSA-N 2 1 341.540 3.297 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001307448557 1383992952 /nfs/dbraw/zinc/99/29/52/1383992952.db2.gz ASYSNURRDOUYKA-KRWDZBQOSA-N 2 1 341.540 3.297 20 0 EGADMP Cc1ccc(F)cc1NC(=O)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001307483590 1383996885 /nfs/dbraw/zinc/99/68/85/1383996885.db2.gz YOKHUGWOMLKOFD-GOSISDBHSA-N 2 1 347.478 3.413 20 0 EGADMP C[C@H]1C[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)CN1C(=O)OC(C)(C)C ZINC001168805382 1384012785 /nfs/dbraw/zinc/01/27/85/1384012785.db2.gz HBZKPAYETVSZBC-DOTOQJQBSA-N 2 1 339.524 3.368 20 0 EGADMP [NH3+][C@@H]1CCc2nn(-c3cc[nH+]c4ccc(C(F)(F)F)cc43)cc2C1 ZINC001168819394 1384017479 /nfs/dbraw/zinc/01/74/79/1384017479.db2.gz FVUWRENJNDTCMD-GFCCVEGCSA-N 2 1 332.329 3.255 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1Cc3ccc(Br)cc3C1)C2 ZINC001169096209 1384106396 /nfs/dbraw/zinc/10/63/96/1384106396.db2.gz VUOXRKMYPLETEV-LUKYLMHMSA-N 2 1 335.289 3.131 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(Cc3ccccc3F)CCOCC1)C2 ZINC001169116892 1384109036 /nfs/dbraw/zinc/10/90/36/1384109036.db2.gz SPMOISUMKZAYMF-LDLYASANSA-N 2 1 346.490 3.380 20 0 EGADMP COc1cccc(CC2([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCOCC2)c1 ZINC001169117359 1384109244 /nfs/dbraw/zinc/10/92/44/1384109244.db2.gz ZBUPUVZUSXVGSY-LDLYASANSA-N 2 1 344.499 3.002 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC3(CN(Cc4ccccc4)C3)C1)C2 ZINC001169152235 1384115742 /nfs/dbraw/zinc/11/57/42/1384115742.db2.gz AAFUAYKMUNSCRM-AERCQKQUSA-N 2 1 339.527 3.210 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC3(CN(Cc4ccccc4)C3)C1)C2 ZINC001169152235 1384115744 /nfs/dbraw/zinc/11/57/44/1384115744.db2.gz AAFUAYKMUNSCRM-AERCQKQUSA-N 2 1 339.527 3.210 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC3(CN(Cc4ccccc4)C3)C1)C2 ZINC001169152235 1384115746 /nfs/dbraw/zinc/11/57/46/1384115746.db2.gz AAFUAYKMUNSCRM-AERCQKQUSA-N 2 1 339.527 3.210 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCCC3(C[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169152235 1384115748 /nfs/dbraw/zinc/11/57/48/1384115748.db2.gz AAFUAYKMUNSCRM-AERCQKQUSA-N 2 1 339.527 3.210 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCCC3(C[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169152235 1384115749 /nfs/dbraw/zinc/11/57/49/1384115749.db2.gz AAFUAYKMUNSCRM-AERCQKQUSA-N 2 1 339.527 3.210 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001169153642 1384116063 /nfs/dbraw/zinc/11/60/63/1384116063.db2.gz KQGAQHSRWXDOHR-MLBCHFTJSA-N 2 1 339.527 3.066 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001169153642 1384116065 /nfs/dbraw/zinc/11/60/65/1384116065.db2.gz KQGAQHSRWXDOHR-MLBCHFTJSA-N 2 1 339.527 3.066 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001169153642 1384116067 /nfs/dbraw/zinc/11/60/67/1384116067.db2.gz KQGAQHSRWXDOHR-MLBCHFTJSA-N 2 1 339.527 3.066 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](C(=O)OCc3ccccc3)C1)C2 ZINC001169160919 1384117390 /nfs/dbraw/zinc/11/73/90/1384117390.db2.gz MSAJJHCQJXCFHP-YSTOQKLRSA-N 2 1 342.483 3.067 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](C(=O)OCc3ccccc3)C1)C2 ZINC001169160919 1384117392 /nfs/dbraw/zinc/11/73/92/1384117392.db2.gz MSAJJHCQJXCFHP-YSTOQKLRSA-N 2 1 342.483 3.067 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H](C(=O)OCc3ccccc3)C1)C2 ZINC001169160919 1384117395 /nfs/dbraw/zinc/11/73/95/1384117395.db2.gz MSAJJHCQJXCFHP-YSTOQKLRSA-N 2 1 342.483 3.067 20 0 EGADMP CCn1nccc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001308304578 1384117857 /nfs/dbraw/zinc/11/78/57/1384117857.db2.gz GAMQGBQJCIHTPQ-YRWFTTLQSA-N 2 1 326.488 3.149 20 0 EGADMP CCn1nccc1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001308304578 1384117859 /nfs/dbraw/zinc/11/78/59/1384117859.db2.gz GAMQGBQJCIHTPQ-YRWFTTLQSA-N 2 1 326.488 3.149 20 0 EGADMP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1c[nH+]c(N(C)C)cc1C ZINC001169173373 1384119114 /nfs/dbraw/zinc/11/91/14/1384119114.db2.gz FUHANWPTLMNCPS-UHFFFAOYSA-N 2 1 338.455 3.218 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001169240064 1384126035 /nfs/dbraw/zinc/12/60/35/1384126035.db2.gz COVHTFHWPPFPSW-KRWDZBQOSA-N 2 1 337.305 3.380 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169291247 1384132976 /nfs/dbraw/zinc/13/29/76/1384132976.db2.gz WKKPXQQTTOSHGJ-JYPHPWERSA-N 2 1 330.472 3.084 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169291247 1384132978 /nfs/dbraw/zinc/13/29/78/1384132978.db2.gz WKKPXQQTTOSHGJ-JYPHPWERSA-N 2 1 330.472 3.084 20 0 EGADMP Cc1cc(C)cc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001169798915 1384187416 /nfs/dbraw/zinc/18/74/16/1384187416.db2.gz SPKVIAZWCVFQCD-UYAOXDASSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169808736 1384187778 /nfs/dbraw/zinc/18/77/78/1384187778.db2.gz DLBCNIACSXGYCX-MJGOQNOKSA-N 2 1 349.563 3.316 20 0 EGADMP CC1([NH2+][C@@H]2CCCC3(C2)OCCO3)CC[NH+](Cc2ccccc2)CC1 ZINC001169929079 1384199879 /nfs/dbraw/zinc/19/98/79/1384199879.db2.gz XZXPHGOIOGSQFH-LJQANCHMSA-N 2 1 344.499 3.316 20 0 EGADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C)C3)CC[C@@H]21 ZINC001170140054 1384246311 /nfs/dbraw/zinc/24/63/11/1384246311.db2.gz WSSGCQXHOBXPIF-UEDWAMCQSA-N 2 1 330.520 3.245 20 0 EGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C)C3)CC[C@@H]21 ZINC001170140054 1384246314 /nfs/dbraw/zinc/24/63/14/1384246314.db2.gz WSSGCQXHOBXPIF-UEDWAMCQSA-N 2 1 330.520 3.245 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C)C3)CC[C@@H]21 ZINC001170140054 1384246318 /nfs/dbraw/zinc/24/63/18/1384246318.db2.gz WSSGCQXHOBXPIF-UEDWAMCQSA-N 2 1 330.520 3.245 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C)C3)CC[C@@H]21 ZINC001170140054 1384246321 /nfs/dbraw/zinc/24/63/21/1384246321.db2.gz WSSGCQXHOBXPIF-UEDWAMCQSA-N 2 1 330.520 3.245 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001170233885 1384272194 /nfs/dbraw/zinc/27/21/94/1384272194.db2.gz RNTPDLOQWHJTQT-KRWDZBQOSA-N 2 1 341.499 3.339 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001170235127 1384273147 /nfs/dbraw/zinc/27/31/47/1384273147.db2.gz YSMVQTGBWQKJQU-QGZVFWFLSA-N 2 1 341.499 3.339 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H](C)CC(C)C ZINC001170783849 1384384291 /nfs/dbraw/zinc/38/42/91/1384384291.db2.gz ABPODRSITWYIFP-RBUKOAKNSA-N 2 1 339.568 3.419 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170785467 1384384324 /nfs/dbraw/zinc/38/43/24/1384384324.db2.gz MNBKBMWKKXFFJQ-MJGOQNOKSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CCCOCC3)C[C@H]21 ZINC001170823465 1384392516 /nfs/dbraw/zinc/39/25/16/1384392516.db2.gz UUKBACQQSWTSPK-CWJKEVGVSA-N 2 1 343.515 3.183 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CCCOCC3)C[C@H]21 ZINC001170823465 1384392523 /nfs/dbraw/zinc/39/25/23/1384392523.db2.gz UUKBACQQSWTSPK-CWJKEVGVSA-N 2 1 343.515 3.183 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCCOCC3)C[C@H]21 ZINC001170823465 1384392525 /nfs/dbraw/zinc/39/25/25/1384392525.db2.gz UUKBACQQSWTSPK-CWJKEVGVSA-N 2 1 343.515 3.183 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCCOCC3)C[C@H]21 ZINC001170823465 1384392531 /nfs/dbraw/zinc/39/25/31/1384392531.db2.gz UUKBACQQSWTSPK-CWJKEVGVSA-N 2 1 343.515 3.183 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170862582 1384400808 /nfs/dbraw/zinc/40/08/08/1384400808.db2.gz OSEXUWJRICKEFL-YQVWRLOYSA-N 2 1 337.552 3.172 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)CCCC[NH2+]CC(C)C ZINC001170879268 1384403839 /nfs/dbraw/zinc/40/38/39/1384403839.db2.gz VWFLDSXAAQMRLR-SJORKVTESA-N 2 1 336.524 3.317 20 0 EGADMP COC1CC[NH+](C2CC[NH+]([C@H]3CCc4cccc(F)c4C3)CC2)CC1 ZINC001171010120 1384429139 /nfs/dbraw/zinc/42/91/39/1384429139.db2.gz LNJWZEBEPWMDLO-SFHVURJKSA-N 2 1 346.490 3.258 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C ZINC001171119910 1384449867 /nfs/dbraw/zinc/44/98/67/1384449867.db2.gz KOVDKPQKFXILSQ-ZWKOTPCHSA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001171248357 1384478475 /nfs/dbraw/zinc/47/84/75/1384478475.db2.gz TULRUSGHGXPWSR-MJGOQNOKSA-N 2 1 337.552 3.314 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4c(Cl)ccc(OC)c4C3)C[C@@H]2C1 ZINC001171325855 1384495284 /nfs/dbraw/zinc/49/52/84/1384495284.db2.gz FGMPUWXFNGZQOA-XHSDSOJGSA-N 2 1 348.918 3.480 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4c(Cl)ccc(OC)c4C3)C[C@@H]2C1 ZINC001171325855 1384495287 /nfs/dbraw/zinc/49/52/87/1384495287.db2.gz FGMPUWXFNGZQOA-XHSDSOJGSA-N 2 1 348.918 3.480 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4c(Cl)ccc(OC)c4C3)C[C@@H]2C1 ZINC001171325855 1384495290 /nfs/dbraw/zinc/49/52/90/1384495290.db2.gz FGMPUWXFNGZQOA-XHSDSOJGSA-N 2 1 348.918 3.480 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171414817 1384517315 /nfs/dbraw/zinc/51/73/15/1384517315.db2.gz WKGBDBGDNAGLLK-ZHALLVOQSA-N 2 1 346.490 3.434 20 0 EGADMP COC(=O)[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001335764572 1388927036 /nfs/dbraw/zinc/92/70/36/1388927036.db2.gz OBCOFAGIXNOCJJ-YWTNHNAXSA-N 2 1 336.520 3.208 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C)c1 ZINC001171586327 1384572330 /nfs/dbraw/zinc/57/23/30/1384572330.db2.gz LRMGIEBGVZNXIU-SFHVURJKSA-N 2 1 347.547 3.490 20 0 EGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(-c3ncon3)cc2)CC1(C)C ZINC001171619821 1384582380 /nfs/dbraw/zinc/58/23/80/1384582380.db2.gz RLJCFLCUJFQDNR-UHFFFAOYSA-N 2 1 328.460 3.478 20 0 EGADMP COc1ccccc1N1CC[NH+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171628835 1384585324 /nfs/dbraw/zinc/58/53/24/1384585324.db2.gz ILMWKUTZCOWDLF-UHFFFAOYSA-N 2 1 345.531 3.469 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H]([C@H](N)C(F)(F)F)C2)CC1(C)C ZINC001171631101 1384586437 /nfs/dbraw/zinc/58/64/37/1384586437.db2.gz WEVCJMHQKFEPTO-JSGCOSHPSA-N 2 1 335.458 3.239 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001171724988 1384614709 /nfs/dbraw/zinc/61/47/09/1384614709.db2.gz BPFMNFKCNBUGMI-OAHLLOKOSA-N 2 1 339.911 3.229 20 0 EGADMP Cc1ncn([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1CSCC[NH3+] ZINC001171728934 1384615569 /nfs/dbraw/zinc/61/55/69/1384615569.db2.gz SFMCMCJARIYNTG-CRAIPNDOSA-N 2 1 344.528 3.219 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(CC(C)C)cc1 ZINC001171731375 1384617527 /nfs/dbraw/zinc/61/75/27/1384617527.db2.gz FKZCTFDSWHQOHC-UHFFFAOYSA-N 2 1 347.547 3.213 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+]([C@H]2Cc3cccc(F)c3C2)C2CCOCC2)CC1 ZINC001171786605 1384636460 /nfs/dbraw/zinc/63/64/60/1384636460.db2.gz CHHIFRPYZZFODA-BQFCYCMXSA-N 2 1 332.463 3.044 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCCC[NH2+]CC1CCCCCC1 ZINC001171816980 1384648903 /nfs/dbraw/zinc/64/89/03/1384648903.db2.gz PHJDRLFXXNCMHA-QGZVFWFLSA-N 2 1 348.535 3.427 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001171820786 1384650952 /nfs/dbraw/zinc/65/09/52/1384650952.db2.gz GQKCOSMOPDEEBW-INIZCTEOSA-N 2 1 334.508 3.036 20 0 EGADMP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171825479 1384652234 /nfs/dbraw/zinc/65/22/34/1384652234.db2.gz DDNGAFUVWLHCDI-DLBZAZTESA-N 2 1 348.535 3.073 20 0 EGADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171828685 1384652674 /nfs/dbraw/zinc/65/26/74/1384652674.db2.gz MDMJJZAXLKAHNC-MRXNPFEDSA-N 2 1 339.524 3.369 20 0 EGADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171906830 1384677535 /nfs/dbraw/zinc/67/75/35/1384677535.db2.gz MLRJAAVPWALRRA-FQEVSTJZSA-N 2 1 343.515 3.097 20 0 EGADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001171918897 1384681884 /nfs/dbraw/zinc/68/18/84/1384681884.db2.gz TYSZHVIEOONFQO-QGZVFWFLSA-N 2 1 325.541 3.316 20 0 EGADMP CSCC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171969562 1384698413 /nfs/dbraw/zinc/69/84/13/1384698413.db2.gz VHFHTQWFHYZJMI-ROUUACIJSA-N 2 1 336.545 3.133 20 0 EGADMP CC1(C)C[C@@H]([NH+]2CCC(C)(C(N)=O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171985207 1384703303 /nfs/dbraw/zinc/70/33/03/1384703303.db2.gz TWMTVRSUYNPZTG-SFHVURJKSA-N 2 1 343.515 3.017 20 0 EGADMP CC1(C)C[C@H](N2CC[NH+]3CCC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171985777 1384704066 /nfs/dbraw/zinc/70/40/66/1384704066.db2.gz ZQFJIVXGRANGPX-WOJBJXKFSA-N 2 1 327.516 3.210 20 0 EGADMP CC1(C)C[C@H](N2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171985777 1384704071 /nfs/dbraw/zinc/70/40/71/1384704071.db2.gz ZQFJIVXGRANGPX-WOJBJXKFSA-N 2 1 327.516 3.210 20 0 EGADMP CC1(C)C[C@H](N2CC[N@H+]3CCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171985777 1384704073 /nfs/dbraw/zinc/70/40/73/1384704073.db2.gz ZQFJIVXGRANGPX-WOJBJXKFSA-N 2 1 327.516 3.210 20 0 EGADMP CCOC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984646 1384704670 /nfs/dbraw/zinc/70/46/70/1384704670.db2.gz WXRRRRBRTRBOOM-QRVBRYPASA-N 2 1 344.499 3.361 20 0 EGADMP CCOC(=O)[C@@H](C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065002 1384716208 /nfs/dbraw/zinc/71/62/08/1384716208.db2.gz GYZAWOYPEQZPKO-FRYIKTPZSA-N 2 1 344.499 3.361 20 0 EGADMP COC(=O)[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065402 1384717068 /nfs/dbraw/zinc/71/70/68/1384717068.db2.gz MMJICSWAEGLMMS-CCQCEHTISA-N 2 1 342.483 3.113 20 0 EGADMP C[C@H]1CC[C@@H](CO)[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172067109 1384717155 /nfs/dbraw/zinc/71/71/55/1384717155.db2.gz AQHMGVBKNQPPEK-JBINPLMMSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@H]1CC[C@@H](CO)[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172067109 1384717156 /nfs/dbraw/zinc/71/71/56/1384717156.db2.gz AQHMGVBKNQPPEK-JBINPLMMSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@H]1CC[C@@H](CO)[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067109 1384717166 /nfs/dbraw/zinc/71/71/66/1384717166.db2.gz AQHMGVBKNQPPEK-JBINPLMMSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@H]1CC[C@@H](CO)[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067109 1384717169 /nfs/dbraw/zinc/71/71/69/1384717169.db2.gz AQHMGVBKNQPPEK-JBINPLMMSA-N 2 1 328.500 3.417 20 0 EGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)c(C)c1 ZINC001316947899 1384720230 /nfs/dbraw/zinc/72/02/30/1384720230.db2.gz BSFSJAORWBNIEV-LJQANCHMSA-N 2 1 345.531 3.034 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001316949532 1384722090 /nfs/dbraw/zinc/72/20/90/1384722090.db2.gz UNCLLDSZRIFROH-IBGZPJMESA-N 2 1 345.531 3.232 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(Cc3cccc(F)c3)CC1)C2 ZINC001172103415 1384726745 /nfs/dbraw/zinc/72/67/45/1384726745.db2.gz ULCVIPFWMDOHGC-MZADTFQBSA-N 2 1 345.506 3.395 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(Cc3cccc(F)c3)CC1)C2 ZINC001172103415 1384726747 /nfs/dbraw/zinc/72/67/47/1384726747.db2.gz ULCVIPFWMDOHGC-MZADTFQBSA-N 2 1 345.506 3.395 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCCCNC(=O)OC(C)(C)C)C2 ZINC001172103715 1384727091 /nfs/dbraw/zinc/72/70/91/1384727091.db2.gz WYUHMHXVPWVYDN-BJWYYQGGSA-N 2 1 339.524 3.286 20 0 EGADMP Cc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ncc1Br ZINC001172106280 1384728650 /nfs/dbraw/zinc/72/86/50/1384728650.db2.gz OSEUTOQJBRQEPX-YOWGUQMCSA-N 2 1 338.293 3.257 20 0 EGADMP Cc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ncc1Br ZINC001172106280 1384728655 /nfs/dbraw/zinc/72/86/55/1384728655.db2.gz OSEUTOQJBRQEPX-YOWGUQMCSA-N 2 1 338.293 3.257 20 0 EGADMP CCOC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001172111515 1384729314 /nfs/dbraw/zinc/72/93/14/1384729314.db2.gz RWOKCCMYBVPCIH-FCGDIQPGSA-N 2 1 330.472 3.286 20 0 EGADMP CCOC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172111515 1384729317 /nfs/dbraw/zinc/72/93/17/1384729317.db2.gz RWOKCCMYBVPCIH-FCGDIQPGSA-N 2 1 330.472 3.286 20 0 EGADMP CCOC(=O)CCc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172113474 1384731151 /nfs/dbraw/zinc/73/11/51/1384731151.db2.gz HNKVIQPYSGSRDM-ACDBMABISA-N 2 1 344.499 3.287 20 0 EGADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112550 1384731215 /nfs/dbraw/zinc/73/12/15/1384731215.db2.gz XLIFKXJWHBDINA-YXOJAJARSA-N 2 1 342.531 3.169 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112550 1384731217 /nfs/dbraw/zinc/73/12/17/1384731217.db2.gz XLIFKXJWHBDINA-YXOJAJARSA-N 3 1 342.531 3.169 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112550 1384731220 /nfs/dbraw/zinc/73/12/20/1384731220.db2.gz XLIFKXJWHBDINA-YXOJAJARSA-N 3 1 342.531 3.169 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112550 1384731222 /nfs/dbraw/zinc/73/12/22/1384731222.db2.gz XLIFKXJWHBDINA-YXOJAJARSA-N 3 1 342.531 3.169 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112550 1384731223 /nfs/dbraw/zinc/73/12/23/1384731223.db2.gz XLIFKXJWHBDINA-YXOJAJARSA-N 3 1 342.531 3.169 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cncn1Cc1cccc(F)c1)C2 ZINC001172115605 1384731323 /nfs/dbraw/zinc/73/13/23/1384731323.db2.gz TUZLFJXENBKHRN-REPLKXPHSA-N 2 1 342.462 3.175 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC([NH3+])(c3ccc(F)cc3)CC1)C2 ZINC001172115227 1384731467 /nfs/dbraw/zinc/73/14/67/1384731467.db2.gz SKABBYOKLFPQBV-BWTSREIZSA-N 2 1 331.479 3.091 20 0 EGADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@]1(O)C(F)(F)F ZINC001172116184 1384733554 /nfs/dbraw/zinc/73/35/54/1384733554.db2.gz BDDBXBNIOTVMFN-IBEHDNSVSA-N 2 1 334.426 3.027 20 0 EGADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@]1(O)C(F)(F)F ZINC001172116184 1384733558 /nfs/dbraw/zinc/73/35/58/1384733558.db2.gz BDDBXBNIOTVMFN-IBEHDNSVSA-N 2 1 334.426 3.027 20 0 EGADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC[C@]1(O)C(F)(F)F ZINC001172116184 1384733559 /nfs/dbraw/zinc/73/35/59/1384733559.db2.gz BDDBXBNIOTVMFN-IBEHDNSVSA-N 2 1 334.426 3.027 20 0 EGADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC[C@]1(O)C(F)(F)F ZINC001172116184 1384733561 /nfs/dbraw/zinc/73/35/61/1384733561.db2.gz BDDBXBNIOTVMFN-IBEHDNSVSA-N 2 1 334.426 3.027 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccccc1OC1CCOCC1)C2 ZINC001172117912 1384733634 /nfs/dbraw/zinc/73/36/34/1384733634.db2.gz ORYFGQINLSTDGA-LDLYASANSA-N 2 1 344.499 3.349 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124948 1384734390 /nfs/dbraw/zinc/73/43/90/1384734390.db2.gz NCTIWWPYVROBMY-PBASOCQRSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124948 1384734395 /nfs/dbraw/zinc/73/43/95/1384734395.db2.gz NCTIWWPYVROBMY-PBASOCQRSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124948 1384734398 /nfs/dbraw/zinc/73/43/98/1384734398.db2.gz NCTIWWPYVROBMY-PBASOCQRSA-N 2 1 327.516 3.208 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(O)(c3ccccc3F)CC1)C2 ZINC001172121791 1384734600 /nfs/dbraw/zinc/73/46/00/1384734600.db2.gz MNTOASUWPGFZDS-FVQHAEBGSA-N 2 1 332.463 3.124 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(O)(c3ccccc3F)CC1)C2 ZINC001172121791 1384734609 /nfs/dbraw/zinc/73/46/09/1384734609.db2.gz MNTOASUWPGFZDS-FVQHAEBGSA-N 2 1 332.463 3.124 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(COc4ccccc43)CC1)C2 ZINC001172122433 1384735094 /nfs/dbraw/zinc/73/50/94/1384735094.db2.gz BBLXUDSNZMTAOY-BCDXTJNWSA-N 2 1 326.484 3.428 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172161237 1384740271 /nfs/dbraw/zinc/74/02/71/1384740271.db2.gz UJJWUPCJNNAPGU-OWYHZJEWSA-N 2 1 333.520 3.044 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CC12CC[NH+](CC1CCCCC1)CC2)C1CCC1 ZINC001316998286 1384755817 /nfs/dbraw/zinc/75/58/17/1384755817.db2.gz KRUYCIIBNZAHOM-IBGZPJMESA-N 2 1 347.547 3.022 20 0 EGADMP COCCC[NH+]1CCC([N@H+](C)CCCc2cccc(OC)c2)CC1 ZINC001172253220 1384757343 /nfs/dbraw/zinc/75/73/43/1384757343.db2.gz HGAWBDBEQIGERS-UHFFFAOYSA-N 2 1 334.504 3.061 20 0 EGADMP COCCC[NH+]1CCC([N@@H+](C)CCCc2cccc(OC)c2)CC1 ZINC001172253220 1384757346 /nfs/dbraw/zinc/75/73/46/1384757346.db2.gz HGAWBDBEQIGERS-UHFFFAOYSA-N 2 1 334.504 3.061 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001317004691 1384764811 /nfs/dbraw/zinc/76/48/11/1384764811.db2.gz CGXIGLLEZGPANV-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)[NH2+]C1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001172319496 1384768662 /nfs/dbraw/zinc/76/86/62/1384768662.db2.gz RHDQEDFFGOWVAR-YZWVMBDNSA-N 2 1 342.524 3.152 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172376440 1384780551 /nfs/dbraw/zinc/78/05/51/1384780551.db2.gz UHIZKGNUVRKQLQ-KZEVZHLLSA-N 2 1 334.548 3.491 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172376440 1384780553 /nfs/dbraw/zinc/78/05/53/1384780553.db2.gz UHIZKGNUVRKQLQ-KZEVZHLLSA-N 2 1 334.548 3.491 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172376440 1384780555 /nfs/dbraw/zinc/78/05/55/1384780555.db2.gz UHIZKGNUVRKQLQ-KZEVZHLLSA-N 2 1 334.548 3.491 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@H](C)[C@H](C)C1)C2 ZINC001172379912 1384782228 /nfs/dbraw/zinc/78/22/28/1384782228.db2.gz UHIZKGNUVRKQLQ-MIGBRYPXSA-N 2 1 334.548 3.491 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CC[C@H](C)[C@H](C)C1)C2 ZINC001172379912 1384782235 /nfs/dbraw/zinc/78/22/35/1384782235.db2.gz UHIZKGNUVRKQLQ-MIGBRYPXSA-N 2 1 334.548 3.491 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CC[C@H](C)[C@H](C)C1)C2 ZINC001172379912 1384782239 /nfs/dbraw/zinc/78/22/39/1384782239.db2.gz UHIZKGNUVRKQLQ-MIGBRYPXSA-N 2 1 334.548 3.491 20 0 EGADMP CC(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317037402 1384808570 /nfs/dbraw/zinc/80/85/70/1384808570.db2.gz RPRGNJDIYWRFLJ-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001317041106 1384814121 /nfs/dbraw/zinc/81/41/21/1384814121.db2.gz TWTFUMGHRHQNEC-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001317041106 1384814126 /nfs/dbraw/zinc/81/41/26/1384814126.db2.gz TWTFUMGHRHQNEC-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001317041106 1384814130 /nfs/dbraw/zinc/81/41/30/1384814130.db2.gz TWTFUMGHRHQNEC-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172664639 1384829794 /nfs/dbraw/zinc/82/97/94/1384829794.db2.gz PYUDTLIATYKQLZ-MOPGFXCFSA-N 2 1 343.515 3.030 20 0 EGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172664639 1384829799 /nfs/dbraw/zinc/82/97/99/1384829799.db2.gz PYUDTLIATYKQLZ-MOPGFXCFSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)OC(=O)CC[C@H](C)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001172752402 1384843766 /nfs/dbraw/zinc/84/37/66/1384843766.db2.gz RCTPWODNZWMWPP-KRWDZBQOSA-N 2 1 336.520 3.447 20 0 EGADMP CC(C)OC(=O)CC[C@H](C)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001172752402 1384843769 /nfs/dbraw/zinc/84/37/69/1384843769.db2.gz RCTPWODNZWMWPP-KRWDZBQOSA-N 2 1 336.520 3.447 20 0 EGADMP CC(C)OC(=O)CC[C@H](C)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172754592 1384843932 /nfs/dbraw/zinc/84/39/32/1384843932.db2.gz XIOYQTOAPAHFJM-WDSOQIARSA-N 2 1 347.503 3.274 20 0 EGADMP Cc1cccc(N([C@H](C)CCC(=O)OC(C)C)C2CC[NH2+]CC2)[nH+]1 ZINC001172760871 1384845909 /nfs/dbraw/zinc/84/59/09/1384845909.db2.gz BFGXETOJBXVSKG-MRXNPFEDSA-N 2 1 333.476 3.069 20 0 EGADMP C[C@@H]1CC[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC001173067568 1384905697 /nfs/dbraw/zinc/90/56/97/1384905697.db2.gz BWMNCHHDKUQZRH-NVXWUHKLSA-N 2 1 339.524 3.048 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001317140727 1384908439 /nfs/dbraw/zinc/90/84/39/1384908439.db2.gz SFQUTDIHVKOUGN-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@]3(C2)CCCCN3C(C)=O)CC1 ZINC001173111307 1384916834 /nfs/dbraw/zinc/91/68/34/1384916834.db2.gz BFDWLPKDVBLBJB-MHJFOBGBSA-N 2 1 335.536 3.116 20 0 EGADMP CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1CCC([NH+](CC)CC)CC1)C2 ZINC001173110944 1384917277 /nfs/dbraw/zinc/91/72/77/1384917277.db2.gz PORYCLVFUFYQII-GHBBCFCZSA-N 2 1 338.536 3.299 20 0 EGADMP CC[NH+](CC)C1CCC([N@@H+](C)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001173115121 1384917711 /nfs/dbraw/zinc/91/77/11/1384917711.db2.gz WUOFMUOFVSJBQX-UHFFFAOYSA-N 2 1 339.524 3.191 20 0 EGADMP CCC[N@@H+](C1CCC([NH+](CC)CC)CC1)C1CCN(C(C)=O)CC1 ZINC001173113026 1384917921 /nfs/dbraw/zinc/91/79/21/1384917921.db2.gz GUOKJPNOAOKMCQ-UHFFFAOYSA-N 2 1 337.552 3.362 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](Oc3ncccc3OC)C2)CC1 ZINC001173113859 1384918040 /nfs/dbraw/zinc/91/80/40/1384918040.db2.gz NFYYCNXTGAFKSW-ABHNRTSZSA-N 2 1 347.503 3.196 20 0 EGADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1CCc2ncsc2C1 ZINC001173135537 1384921523 /nfs/dbraw/zinc/92/15/23/1384921523.db2.gz MWIXRKABZHYQGR-HUUCEWRRSA-N 2 1 349.544 3.012 20 0 EGADMP CC[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001173279969 1384950438 /nfs/dbraw/zinc/95/04/38/1384950438.db2.gz NHKBDMNUWNSRJT-CWJKEVGVSA-N 2 1 343.515 3.183 20 0 EGADMP CC[C@@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001173279969 1384950442 /nfs/dbraw/zinc/95/04/42/1384950442.db2.gz NHKBDMNUWNSRJT-CWJKEVGVSA-N 2 1 343.515 3.183 20 0 EGADMP CC[C@@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001173279969 1384950446 /nfs/dbraw/zinc/95/04/46/1384950446.db2.gz NHKBDMNUWNSRJT-CWJKEVGVSA-N 2 1 343.515 3.183 20 0 EGADMP CC[N@H+]1CC[C@H](n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)C1 ZINC001173355797 1384963732 /nfs/dbraw/zinc/96/37/32/1384963732.db2.gz WWENAEDWJVLTSK-ZDUSSCGKSA-N 2 1 341.377 3.308 20 0 EGADMP CCN1CC[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001173365392 1384964432 /nfs/dbraw/zinc/96/44/32/1384964432.db2.gz HDNWEFQSTPGKOD-FQEVSTJZSA-N 2 1 327.516 3.069 20 0 EGADMP CC[N@@H+]1CC[C@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001173365392 1384964433 /nfs/dbraw/zinc/96/44/33/1384964433.db2.gz HDNWEFQSTPGKOD-FQEVSTJZSA-N 2 1 327.516 3.069 20 0 EGADMP CC[N@H+]1CC[C@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001173365392 1384964437 /nfs/dbraw/zinc/96/44/37/1384964437.db2.gz HDNWEFQSTPGKOD-FQEVSTJZSA-N 2 1 327.516 3.069 20 0 EGADMP CC[N@H+]1CC[C@H](N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001173372802 1384965580 /nfs/dbraw/zinc/96/55/80/1384965580.db2.gz RONHLQRVKFEIAT-NRFANRHFSA-N 2 1 341.543 3.459 20 0 EGADMP CC[N@H+]1CC[C@H](N2CCC([NH+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001173366924 1384965950 /nfs/dbraw/zinc/96/59/50/1384965950.db2.gz CAFZKMPDDVSGBJ-IBGZPJMESA-N 2 1 335.923 3.330 20 0 EGADMP CC[NH+]1CC[C@H](N2CCC([N@H+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001173366924 1384965954 /nfs/dbraw/zinc/96/59/54/1384965954.db2.gz CAFZKMPDDVSGBJ-IBGZPJMESA-N 2 1 335.923 3.330 20 0 EGADMP CC[NH+]1CC[C@H](N2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001173366924 1384965956 /nfs/dbraw/zinc/96/59/56/1384965956.db2.gz CAFZKMPDDVSGBJ-IBGZPJMESA-N 2 1 335.923 3.330 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)C1 ZINC001173637987 1384994074 /nfs/dbraw/zinc/99/40/74/1384994074.db2.gz DQLMLQZBTDZHMI-IAGOWNOFSA-N 2 1 345.487 3.051 20 0 EGADMP C[C@H](c1cccc2ccccc21)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317443198 1385144673 /nfs/dbraw/zinc/14/46/73/1385144673.db2.gz NASGUYNYBATUOA-OXQOHEQNSA-N 2 1 339.483 3.043 20 0 EGADMP C[C@H](c1cccc2ccccc21)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001317443198 1385144677 /nfs/dbraw/zinc/14/46/77/1385144677.db2.gz NASGUYNYBATUOA-OXQOHEQNSA-N 2 1 339.483 3.043 20 0 EGADMP C[C@H](c1cccc2ccccc21)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001317443198 1385144680 /nfs/dbraw/zinc/14/46/80/1385144680.db2.gz NASGUYNYBATUOA-OXQOHEQNSA-N 2 1 339.483 3.043 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001174804671 1385151248 /nfs/dbraw/zinc/15/12/48/1385151248.db2.gz CFHBETSSSVHWSC-KAGICYHLSA-N 2 1 337.552 3.482 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl)C1 ZINC001174881181 1385164049 /nfs/dbraw/zinc/16/40/49/1385164049.db2.gz IUEHDMDHYLYVNX-XKJZPFPASA-N 2 1 343.943 3.126 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@H](CC)c1ccccc1 ZINC001317511969 1385223366 /nfs/dbraw/zinc/22/33/66/1385223366.db2.gz GHALTFFXTVPPTH-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1[C@H](CC)c1ccccc1 ZINC001317511969 1385223368 /nfs/dbraw/zinc/22/33/68/1385223368.db2.gz GHALTFFXTVPPTH-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1[C@H](CC)c1ccccc1 ZINC001317511969 1385223371 /nfs/dbraw/zinc/22/33/71/1385223371.db2.gz GHALTFFXTVPPTH-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175265027 1385234548 /nfs/dbraw/zinc/23/45/48/1385234548.db2.gz WTRMLHLRKWTTGA-ROUUACIJSA-N 2 1 337.552 3.173 20 0 EGADMP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175264355 1385234624 /nfs/dbraw/zinc/23/46/24/1385234624.db2.gz UAAZBYREUFMYIS-MSOLQXFVSA-N 2 1 325.541 3.173 20 0 EGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C)C2 ZINC001175273348 1385236878 /nfs/dbraw/zinc/23/68/78/1385236878.db2.gz QZKBITYPOYXYDC-WMZOPIPTSA-N 2 1 348.535 3.065 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175273742 1385238064 /nfs/dbraw/zinc/23/80/64/1385238064.db2.gz VPXCMSKQZYPWFX-KRWDZBQOSA-N 2 1 337.552 3.173 20 0 EGADMP CCCN(C(=O)C[NH+](C)CCC)[C@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001317769753 1385460508 /nfs/dbraw/zinc/46/05/08/1385460508.db2.gz JYECLTRUGNFISX-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)C[N@H+](C)CCC)[C@H]1CC[NH+](Cc2ccccc2C)C1 ZINC001317769753 1385460509 /nfs/dbraw/zinc/46/05/09/1385460509.db2.gz JYECLTRUGNFISX-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CCC)[C@H]1CC[NH+](Cc2ccccc2C)C1 ZINC001317769753 1385460510 /nfs/dbraw/zinc/46/05/10/1385460510.db2.gz JYECLTRUGNFISX-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)CCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001317771323 1385462735 /nfs/dbraw/zinc/46/27/35/1385462735.db2.gz YQPJOPHLXHTBBN-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1cc(C)ccc1C ZINC001176022989 1385463442 /nfs/dbraw/zinc/46/34/42/1385463442.db2.gz FAOKWDKQYAGDIB-IBGZPJMESA-N 2 1 347.547 3.410 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176165789 1385500988 /nfs/dbraw/zinc/50/09/88/1385500988.db2.gz OSABHXDQEIBIBJ-PKOBYXMFSA-N 2 1 335.536 3.093 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176167438 1385501059 /nfs/dbraw/zinc/50/10/59/1385501059.db2.gz ZLIDVJZBWQTWSC-UYAOXDASSA-N 2 1 349.563 3.483 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001176268981 1385532566 /nfs/dbraw/zinc/53/25/66/1385532566.db2.gz OZCLQDPPVCXKAS-SFHVURJKSA-N 2 1 333.520 3.183 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176564195 1385626615 /nfs/dbraw/zinc/62/66/15/1385626615.db2.gz MVQVHHZYIWRBJW-IEBWSBKVSA-N 2 1 349.563 3.173 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001318299533 1385643721 /nfs/dbraw/zinc/64/37/21/1385643721.db2.gz FAIVUUOJDVJTOR-IBGZPJMESA-N 2 1 345.531 3.016 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001318299533 1385643726 /nfs/dbraw/zinc/64/37/26/1385643726.db2.gz FAIVUUOJDVJTOR-IBGZPJMESA-N 2 1 345.531 3.016 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001318299533 1385643730 /nfs/dbraw/zinc/64/37/30/1385643730.db2.gz FAIVUUOJDVJTOR-IBGZPJMESA-N 2 1 345.531 3.016 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176754871 1385684987 /nfs/dbraw/zinc/68/49/87/1385684987.db2.gz ZTIOHBWBTVOBCK-LJQANCHMSA-N 2 1 347.547 3.408 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001318429734 1385686001 /nfs/dbraw/zinc/68/60/01/1385686001.db2.gz SMRVEVBNKQEAOL-ROUUACIJSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001318429734 1385686006 /nfs/dbraw/zinc/68/60/06/1385686006.db2.gz SMRVEVBNKQEAOL-ROUUACIJSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001318429734 1385686009 /nfs/dbraw/zinc/68/60/09/1385686009.db2.gz SMRVEVBNKQEAOL-ROUUACIJSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCCc1ccccc1 ZINC001176759915 1385687276 /nfs/dbraw/zinc/68/72/76/1385687276.db2.gz ODVGNXNLPYUHRF-LJQANCHMSA-N 2 1 347.547 3.224 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001177348206 1385922984 /nfs/dbraw/zinc/92/29/84/1385922984.db2.gz CPDIWRLQRMOZJZ-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001177348218 1385923213 /nfs/dbraw/zinc/92/32/13/1385923213.db2.gz CZVZJLYTXUXRLX-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(CCC[NH2+]CC1CCC1)CC1CCCC1 ZINC001177415659 1385948342 /nfs/dbraw/zinc/94/83/42/1385948342.db2.gz HMZWWBUGYOWIPN-SFHVURJKSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001319113318 1385964309 /nfs/dbraw/zinc/96/43/09/1385964309.db2.gz IUWDDIQEDHBXNT-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(CCC[NH2+]CC(C)C)CC1CCCC1 ZINC001177466849 1385966470 /nfs/dbraw/zinc/96/64/70/1385966470.db2.gz GMDINUDWLAQHCD-UHFFFAOYSA-N 2 1 339.568 3.373 20 0 EGADMP Cc1ccccc1C(=O)N1CCC([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC001177774529 1386040398 /nfs/dbraw/zinc/04/03/98/1386040398.db2.gz OHAVVNAXPSMXIR-UHFFFAOYSA-N 2 1 343.515 3.064 20 0 EGADMP Cc1ccccc1C(=O)N1CCC([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC001177774529 1386040404 /nfs/dbraw/zinc/04/04/04/1386040404.db2.gz OHAVVNAXPSMXIR-UHFFFAOYSA-N 2 1 343.515 3.064 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC001319282268 1386040988 /nfs/dbraw/zinc/04/09/88/1386040988.db2.gz JLJKQNUILPOBBB-QZTJIDSGSA-N 3 1 333.520 3.010 20 0 EGADMP CC[N@@H+]1CCC[C@H](CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC001319282268 1386040990 /nfs/dbraw/zinc/04/09/90/1386040990.db2.gz JLJKQNUILPOBBB-QZTJIDSGSA-N 2 1 333.520 3.010 20 0 EGADMP CC[N@H+]1CCC[C@H](CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC001319282268 1386040996 /nfs/dbraw/zinc/04/09/96/1386040996.db2.gz JLJKQNUILPOBBB-QZTJIDSGSA-N 2 1 333.520 3.010 20 0 EGADMP CCN1CCC[C@H](C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC001319282268 1386040998 /nfs/dbraw/zinc/04/09/98/1386040998.db2.gz JLJKQNUILPOBBB-QZTJIDSGSA-N 2 1 333.520 3.010 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@@H](C)CC ZINC001178633659 1386265417 /nfs/dbraw/zinc/26/54/17/1386265417.db2.gz CPZNPJVBICWNBX-ROUUACIJSA-N 2 1 325.541 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001178633630 1386265431 /nfs/dbraw/zinc/26/54/31/1386265431.db2.gz BOFJDKWVCZKACX-LJQANCHMSA-N 2 1 337.552 3.317 20 0 EGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001178634532 1386266167 /nfs/dbraw/zinc/26/61/67/1386266167.db2.gz YJGMQAUQHSLQKD-ZMBJWTFHSA-N 2 1 337.552 3.483 20 0 EGADMP Cc1cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)[nH]n1 ZINC001319729361 1386273017 /nfs/dbraw/zinc/27/30/17/1386273017.db2.gz XCECAWUPUFTDJR-UHFFFAOYSA-N 2 1 327.476 3.108 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001178689495 1386278803 /nfs/dbraw/zinc/27/88/03/1386278803.db2.gz ZKJFLANDLYODHS-IBGZPJMESA-N 2 1 339.568 3.421 20 0 EGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001178729351 1386291794 /nfs/dbraw/zinc/29/17/94/1386291794.db2.gz VHBKJEBNACILQT-HMECNJMJSA-N 2 1 337.552 3.483 20 0 EGADMP CCC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178828701 1386319973 /nfs/dbraw/zinc/31/99/73/1386319973.db2.gz YCYLOQMWAJJQDV-UEKDZROGSA-N 2 1 337.552 3.483 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001178854212 1386329318 /nfs/dbraw/zinc/32/93/18/1386329318.db2.gz ZAXTTYRLRZTZHT-UHFFFAOYSA-N 2 1 333.520 3.183 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001178926121 1386350842 /nfs/dbraw/zinc/35/08/42/1386350842.db2.gz PSFMNPJYDDIINF-IHPCNDPISA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC001319904479 1386379587 /nfs/dbraw/zinc/37/95/87/1386379587.db2.gz GOFAUTAIZQBDIK-IXDOHACOSA-N 2 1 339.524 3.001 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001320016346 1386453883 /nfs/dbraw/zinc/45/38/83/1386453883.db2.gz OPAAOJPSINRQMU-LJQANCHMSA-N 2 1 343.515 3.156 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC001179338147 1386455772 /nfs/dbraw/zinc/45/57/72/1386455772.db2.gz DDLCLRGPEXXCOW-QFBILLFUSA-N 2 1 334.467 3.421 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC001179338147 1386455775 /nfs/dbraw/zinc/45/57/75/1386455775.db2.gz DDLCLRGPEXXCOW-QFBILLFUSA-N 2 1 334.467 3.421 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC001179338147 1386455777 /nfs/dbraw/zinc/45/57/77/1386455777.db2.gz DDLCLRGPEXXCOW-QFBILLFUSA-N 2 1 334.467 3.421 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)CCC2CCCCCC2)C1 ZINC001320041153 1386468497 /nfs/dbraw/zinc/46/84/97/1386468497.db2.gz CFBZNSVKMCUARG-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)CCC2CCCCCC2)C1 ZINC001320041153 1386468500 /nfs/dbraw/zinc/46/85/00/1386468500.db2.gz CFBZNSVKMCUARG-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)CCC2CCCCCC2)C1 ZINC001320041153 1386468504 /nfs/dbraw/zinc/46/85/04/1386468504.db2.gz CFBZNSVKMCUARG-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001179395028 1386473612 /nfs/dbraw/zinc/47/36/12/1386473612.db2.gz DBXWWNOPRDCWGL-WMZOPIPTSA-N 2 1 348.535 3.066 20 0 EGADMP Cc1ccccc1C[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001179580673 1386522590 /nfs/dbraw/zinc/52/25/90/1386522590.db2.gz LXRJHBHQEHVWTB-LJQANCHMSA-N 2 1 345.531 3.246 20 0 EGADMP C[C@H]([NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001179585710 1386523893 /nfs/dbraw/zinc/52/38/93/1386523893.db2.gz JRXQJGJUUCVXRN-OALUTQOASA-N 2 1 345.531 3.356 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCCCCCC[NH2+]CCC2CCCC2)C1 ZINC001179585757 1386524437 /nfs/dbraw/zinc/52/44/37/1386524437.db2.gz KUEQDDAZYRESIK-SFHVURJKSA-N 2 1 337.552 3.175 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179591648 1386526512 /nfs/dbraw/zinc/52/65/12/1386526512.db2.gz ZRBNNAKTDGTIAH-IEBWSBKVSA-N 2 1 337.552 3.031 20 0 EGADMP Cc1c(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)ccc2c[nH+]cn21 ZINC001320146089 1386534827 /nfs/dbraw/zinc/53/48/27/1386534827.db2.gz VGIBWWODQADFEK-GOSISDBHSA-N 2 1 346.434 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001179714330 1386562167 /nfs/dbraw/zinc/56/21/67/1386562167.db2.gz PPIVSLLWMIUZCF-UHFFFAOYSA-N 2 1 334.508 3.073 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001179777476 1386581943 /nfs/dbraw/zinc/58/19/43/1386581943.db2.gz XIGREUMPCGPFKA-INIZCTEOSA-N 2 1 334.508 3.045 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179788306 1386586908 /nfs/dbraw/zinc/58/69/08/1386586908.db2.gz VHGSCWZAQASJFO-OALUTQOASA-N 2 1 335.536 3.236 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCCCCC[NH2+]CC1CC(C)C1 ZINC001179823926 1386597410 /nfs/dbraw/zinc/59/74/10/1386597410.db2.gz IULMMCFDHCLNGV-UHFFFAOYSA-N 2 1 348.535 3.284 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)[C@@H]1C ZINC001179852372 1386607613 /nfs/dbraw/zinc/60/76/13/1386607613.db2.gz LWXNGKGBNZJJDZ-BJLQDIEVSA-N 2 1 345.531 3.285 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCCCCCC[NH2+]CCCC2CCC2)C1 ZINC001180060554 1386683712 /nfs/dbraw/zinc/68/37/12/1386683712.db2.gz HHCFHFKVVWYBND-IBGZPJMESA-N 2 1 337.552 3.175 20 0 EGADMP CCOc1cccc(F)c1C[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC001180080462 1386691004 /nfs/dbraw/zinc/69/10/04/1386691004.db2.gz BGTUGGNJOPBVIK-INIZCTEOSA-N 2 1 338.467 3.157 20 0 EGADMP CCOc1cccc(F)c1C[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC001180080462 1386691011 /nfs/dbraw/zinc/69/10/11/1386691011.db2.gz BGTUGGNJOPBVIK-INIZCTEOSA-N 2 1 338.467 3.157 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001180124642 1386704727 /nfs/dbraw/zinc/70/47/27/1386704727.db2.gz ZTCLABRHAVXYSN-UHFFFAOYSA-N 2 1 347.547 3.411 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001320929538 1386762108 /nfs/dbraw/zinc/76/21/08/1386762108.db2.gz RFMZIZLACGATTA-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001180352043 1386771670 /nfs/dbraw/zinc/77/16/70/1386771670.db2.gz MPJHSXJJZVDWBE-HDICACEKSA-N 2 1 325.541 3.316 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001180369405 1386775875 /nfs/dbraw/zinc/77/58/75/1386775875.db2.gz DCNGPKXUYRBKEC-MRXNPFEDSA-N 2 1 347.494 3.028 20 0 EGADMP CCC/C=C/CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C ZINC001180369615 1386776784 /nfs/dbraw/zinc/77/67/84/1386776784.db2.gz NZTHJNRBBBGDSM-BQYQJAHWSA-N 2 1 325.541 3.339 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+]C/C=C\c1ccccc1 ZINC001180369675 1386776966 /nfs/dbraw/zinc/77/69/66/1386776966.db2.gz RSQLEJVARSKYNF-KAMYIIQDSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCCC2)c1 ZINC001180583720 1386842032 /nfs/dbraw/zinc/84/20/32/1386842032.db2.gz QWPLWURTTGRSIT-MRXNPFEDSA-N 2 1 340.471 3.478 20 0 EGADMP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181440456 1386995284 /nfs/dbraw/zinc/99/52/84/1386995284.db2.gz GPUUWCYGRGMKAQ-QLUPPNIVSA-N 2 1 349.563 3.290 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C ZINC001181587499 1387020720 /nfs/dbraw/zinc/02/07/20/1387020720.db2.gz GBDIEFLFYQDEQI-HNNXBMFYSA-N 2 1 327.513 3.001 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C ZINC001181587499 1387020731 /nfs/dbraw/zinc/02/07/31/1387020731.db2.gz GBDIEFLFYQDEQI-HNNXBMFYSA-N 2 1 327.513 3.001 20 0 EGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC001182153198 1387113599 /nfs/dbraw/zinc/11/35/99/1387113599.db2.gz YPFXREOMCGAGRL-BZUAXINKSA-N 2 1 348.478 3.454 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC001182153198 1387113601 /nfs/dbraw/zinc/11/36/01/1387113601.db2.gz YPFXREOMCGAGRL-BZUAXINKSA-N 2 1 348.478 3.454 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001182473506 1387172233 /nfs/dbraw/zinc/17/22/33/1387172233.db2.gz SFESMYXKFCWQMA-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC001336785650 1389168909 /nfs/dbraw/zinc/16/89/09/1389168909.db2.gz QRQQKRIJLNRAOT-BBRMVZONSA-N 2 1 344.421 3.449 20 0 EGADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]CC1CCC(C)(C)CC1 ZINC001698747414 1406398708 /nfs/dbraw/zinc/39/87/08/1406398708.db2.gz CIEUVIWURRUXIT-INIZCTEOSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001698764991 1406420660 /nfs/dbraw/zinc/42/06/60/1406420660.db2.gz GNLBJKWYTSZGFH-QGZVFWFLSA-N 2 1 348.535 3.319 20 0 EGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC001332612037 1390140779 /nfs/dbraw/zinc/14/07/79/1390140779.db2.gz HCEHPDCNMSTMDU-GQGLESIBSA-N 2 1 339.524 3.142 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001333140467 1390255502 /nfs/dbraw/zinc/25/55/02/1390255502.db2.gz IRIGLSQSPIUBLK-KKXNLOMOSA-N 2 1 345.531 3.367 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CC[NH2+][C@H](C)C3)cc2)C1 ZINC001341552248 1390500847 /nfs/dbraw/zinc/50/08/47/1390500847.db2.gz KORIAUQAQHDMIU-JFIYKMOQSA-N 2 1 329.488 3.245 20 0 EGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)o1 ZINC001334358039 1390524407 /nfs/dbraw/zinc/52/44/07/1390524407.db2.gz WJSBUBBCKPPMBG-ZMSDIMECSA-N 2 1 328.460 3.140 20 0 EGADMP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001342959662 1390677805 /nfs/dbraw/zinc/67/78/05/1390677805.db2.gz HFZPHZLKPWCJBA-ZIAGYGMSSA-N 2 1 344.425 3.129 20 0 EGADMP C[C@@H](CC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC001343021167 1390684916 /nfs/dbraw/zinc/68/49/16/1390684916.db2.gz HZPKBWVAMSWVOY-HOTGVXAUSA-N 2 1 330.476 3.036 20 0 EGADMP Cn1ccnc1C[C@H]1CCC[N@@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC001347643136 1391105091 /nfs/dbraw/zinc/10/50/91/1391105091.db2.gz PPGXZHMCKGOPRD-NVXWUHKLSA-N 2 1 339.439 3.154 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cn3ccc(-c4ccsc4)n3)C[C@H]2C1 ZINC001352760945 1391844223 /nfs/dbraw/zinc/84/42/23/1391844223.db2.gz MWTJRBYOMUTQSU-DJIMGWMZSA-N 2 1 330.501 3.231 20 0 EGADMP C[C@H](C[NH2+]CC1CC(C)C1)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001698838021 1406533677 /nfs/dbraw/zinc/53/36/77/1406533677.db2.gz IYVGQEASFSIGDR-LXPRWKDFSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001479968239 1392504329 /nfs/dbraw/zinc/50/43/29/1392504329.db2.gz GRJKMUWQECROQF-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCCCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001479968239 1392504330 /nfs/dbraw/zinc/50/43/30/1392504330.db2.gz GRJKMUWQECROQF-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001479968239 1392504334 /nfs/dbraw/zinc/50/43/34/1392504334.db2.gz GRJKMUWQECROQF-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001479968239 1392504337 /nfs/dbraw/zinc/50/43/37/1392504337.db2.gz GRJKMUWQECROQF-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001479993663 1392525165 /nfs/dbraw/zinc/52/51/65/1392525165.db2.gz PLJSLOYRBXHHNB-LJQANCHMSA-N 2 1 337.552 3.362 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001698862973 1406574513 /nfs/dbraw/zinc/57/45/13/1406574513.db2.gz XTSUACVWKMYKSX-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP C[NH+](CC1CCC1)[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001480731222 1392894183 /nfs/dbraw/zinc/89/41/83/1392894183.db2.gz SELZIYBFKCTQRK-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1)C1CCCCC1 ZINC001480731222 1392894187 /nfs/dbraw/zinc/89/41/87/1392894187.db2.gz SELZIYBFKCTQRK-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1)C1CCCCC1 ZINC001480731222 1392894193 /nfs/dbraw/zinc/89/41/93/1392894193.db2.gz SELZIYBFKCTQRK-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C/C=C\c1ccccc1)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001481143932 1393132561 /nfs/dbraw/zinc/13/25/61/1393132561.db2.gz ABPAGVXQQFWYJT-DBBZSVRUSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C/C=C\c1ccccc1)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001481143932 1393132562 /nfs/dbraw/zinc/13/25/62/1393132562.db2.gz ABPAGVXQQFWYJT-DBBZSVRUSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CCCCC1)C1CC1 ZINC001481177377 1393142468 /nfs/dbraw/zinc/14/24/68/1393142468.db2.gz DFQPWJKMKYGYGL-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC1CCCCC1)C1CC1 ZINC001481177377 1393142469 /nfs/dbraw/zinc/14/24/69/1393142469.db2.gz DFQPWJKMKYGYGL-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC1CCCCC1)C1CC1 ZINC001481177377 1393142470 /nfs/dbraw/zinc/14/24/70/1393142470.db2.gz DFQPWJKMKYGYGL-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001481629712 1394425180 /nfs/dbraw/zinc/42/51/80/1394425180.db2.gz TVAHLGCWQKDDOW-YLJYHZDGSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC2(CC[NH+](CC3CCCCC3)C2)CC1 ZINC001482071432 1394734496 /nfs/dbraw/zinc/73/44/96/1394734496.db2.gz GDEXOVVLYQPFQJ-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC2(CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001482071432 1394734498 /nfs/dbraw/zinc/73/44/98/1394734498.db2.gz GDEXOVVLYQPFQJ-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC2(CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001482071432 1394734502 /nfs/dbraw/zinc/73/45/02/1394734502.db2.gz GDEXOVVLYQPFQJ-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP Cc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@H]2CCCC[NH+]2C)c(C)c1 ZINC001484747097 1395501289 /nfs/dbraw/zinc/50/12/89/1395501289.db2.gz MVXSPKRDPPVXEP-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1ccc(C[NH+](C)CCCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)c(C)c1 ZINC001484747097 1395501293 /nfs/dbraw/zinc/50/12/93/1395501293.db2.gz MVXSPKRDPPVXEP-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1ccc(C[NH+](C)CCCN(C)C(=O)[C@H]2CCCC[N@H+]2C)c(C)c1 ZINC001484747097 1395501294 /nfs/dbraw/zinc/50/12/94/1395501294.db2.gz MVXSPKRDPPVXEP-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCCC[NH+]1Cc1ccc(F)cc1 ZINC001485485492 1395970602 /nfs/dbraw/zinc/97/06/02/1395970602.db2.gz QWDCNOACWKNRCY-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H](CC)c1ccc(Cl)cc1)[NH+](C)C ZINC001492819276 1396325072 /nfs/dbraw/zinc/32/50/72/1396325072.db2.gz PZIJFIPCEMLDDK-IRXDYDNUSA-N 2 1 339.911 3.179 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001494857646 1396500255 /nfs/dbraw/zinc/50/02/55/1396500255.db2.gz UQGRXJBGDSRGKE-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001494857646 1396500260 /nfs/dbraw/zinc/50/02/60/1396500260.db2.gz UQGRXJBGDSRGKE-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001494857646 1396500266 /nfs/dbraw/zinc/50/02/66/1396500266.db2.gz UQGRXJBGDSRGKE-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001690502044 1404615872 /nfs/dbraw/zinc/61/58/72/1404615872.db2.gz SZECTEVTKRPWHQ-AEFFLSMTSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001690502044 1404615874 /nfs/dbraw/zinc/61/58/74/1404615874.db2.gz SZECTEVTKRPWHQ-AEFFLSMTSA-N 2 1 346.519 3.023 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001690504601 1404616636 /nfs/dbraw/zinc/61/66/36/1404616636.db2.gz GCGTXUKTXZJNMC-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001690504601 1404616639 /nfs/dbraw/zinc/61/66/39/1404616639.db2.gz GCGTXUKTXZJNMC-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC001690504601 1404616640 /nfs/dbraw/zinc/61/66/40/1404616640.db2.gz GCGTXUKTXZJNMC-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCC1)[NH+]1CCCCC1 ZINC001691079112 1405013524 /nfs/dbraw/zinc/01/35/24/1405013524.db2.gz HQONPKPZHVOTRL-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](CCC1CCCC1)C1CC1 ZINC001691228157 1405168208 /nfs/dbraw/zinc/16/82/08/1405168208.db2.gz PNYPUXVNDIGKNJ-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](CCC1CCCC1)C1CC1 ZINC001691228157 1405168209 /nfs/dbraw/zinc/16/82/09/1405168209.db2.gz PNYPUXVNDIGKNJ-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](CCC1CCCC1)C1CC1 ZINC001691228157 1405168210 /nfs/dbraw/zinc/16/82/10/1405168210.db2.gz PNYPUXVNDIGKNJ-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001692092704 1405768933 /nfs/dbraw/zinc/76/89/33/1405768933.db2.gz AGCRGOGGBGLWLT-LZQZEXGQSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001692092704 1405768936 /nfs/dbraw/zinc/76/89/36/1405768936.db2.gz AGCRGOGGBGLWLT-LZQZEXGQSA-N 2 1 349.494 3.054 20 0 EGADMP CCC[N@@H+](C)CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001732086899 1428348212 /nfs/dbraw/zinc/34/82/12/1428348212.db2.gz QXANVYNSIGUSLE-FQEVSTJZSA-N 2 1 345.531 3.260 20 0 EGADMP CCC[NH+](C)CC1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001732086899 1428348217 /nfs/dbraw/zinc/34/82/17/1428348217.db2.gz QXANVYNSIGUSLE-FQEVSTJZSA-N 2 1 345.531 3.260 20 0 EGADMP CCC[NH+](C)CC1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001732086899 1428348221 /nfs/dbraw/zinc/34/82/21/1428348221.db2.gz QXANVYNSIGUSLE-FQEVSTJZSA-N 2 1 345.531 3.260 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC2(C[NH+](C(C)C)C2)CC1)c1ccccc1 ZINC001732405990 1428569109 /nfs/dbraw/zinc/56/91/09/1428569109.db2.gz XCLARGVPEKLHKO-IBGZPJMESA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+]1CCC(C)(CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001699863226 1413298862 /nfs/dbraw/zinc/29/88/62/1413298862.db2.gz MSUSFJYVMDOTLY-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001699870791 1413317553 /nfs/dbraw/zinc/31/75/53/1413317553.db2.gz BJQCLENKHAOKSZ-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001699872822 1413323500 /nfs/dbraw/zinc/32/35/00/1413323500.db2.gz GIXDKXWVZZVJIL-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2c(C)cccc2C)[C@H](C)C1 ZINC001700320782 1413785863 /nfs/dbraw/zinc/78/58/63/1413785863.db2.gz ROSYKNBPVWMQKG-MOPGFXCFSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2c(C)cccc2C)[C@H](C)C1 ZINC001700320782 1413785864 /nfs/dbraw/zinc/78/58/64/1413785864.db2.gz ROSYKNBPVWMQKG-MOPGFXCFSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2c(C)cccc2C)[C@H](C)C1 ZINC001700320782 1413785866 /nfs/dbraw/zinc/78/58/66/1413785866.db2.gz ROSYKNBPVWMQKG-MOPGFXCFSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cc(C)ccc2C)[C@H](C)C1 ZINC001700321297 1413787239 /nfs/dbraw/zinc/78/72/39/1413787239.db2.gz YYSVZDXATDQHAA-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C)ccc2C)[C@H](C)C1 ZINC001700321297 1413787240 /nfs/dbraw/zinc/78/72/40/1413787240.db2.gz YYSVZDXATDQHAA-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)ccc2C)[C@H](C)C1 ZINC001700321297 1413787242 /nfs/dbraw/zinc/78/72/42/1413787242.db2.gz YYSVZDXATDQHAA-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1CCCC1CCC1 ZINC001700323789 1413791929 /nfs/dbraw/zinc/79/19/29/1413791929.db2.gz MJURHXYLSFFWJS-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1c(C(=O)NC[C@@H](C)[N@@H+](C)CC2CCCCC2)ccc2c[nH+]cn21 ZINC001700465458 1414071510 /nfs/dbraw/zinc/07/15/10/1414071510.db2.gz DZUVTBHAHVYKBH-OAHLLOKOSA-N 2 1 342.487 3.273 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001700802026 1414467507 /nfs/dbraw/zinc/46/75/07/1414467507.db2.gz SLXGGJBOXRIZGP-IAGOWNOFSA-N 2 1 345.531 3.015 20 0 EGADMP CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CC([NH2+]CCC2CCCC2)C1 ZINC001701023873 1414685180 /nfs/dbraw/zinc/68/51/80/1414685180.db2.gz RQGOXMCLBYIPRO-UHFFFAOYSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cs1 ZINC001713064588 1417622908 /nfs/dbraw/zinc/62/29/08/1417622908.db2.gz YPKQJPKDQXTFSN-SFHVURJKSA-N 2 1 349.544 3.013 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)C[C@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001733055196 1429198375 /nfs/dbraw/zinc/19/83/75/1429198375.db2.gz UITGOCOQVSUCTB-ROUUACIJSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001713113684 1417676928 /nfs/dbraw/zinc/67/69/28/1417676928.db2.gz URNYEWPDAHULOD-OXQOHEQNSA-N 2 1 343.515 3.025 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001713236355 1417822559 /nfs/dbraw/zinc/82/25/59/1417822559.db2.gz CXEWDBLJXSOEOV-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP Cc1cc(C)cc(C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001733064661 1429216942 /nfs/dbraw/zinc/21/69/42/1429216942.db2.gz BASBTRYIGUDTBE-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP Cc1cc(C)cc(C[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001713417591 1418041090 /nfs/dbraw/zinc/04/10/90/1418041090.db2.gz XJGAVBCEYGHOEH-GOSISDBHSA-N 2 1 347.547 3.266 20 0 EGADMP Cc1cccc([C@@H](C)[NH+](C)CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001713459836 1418114593 /nfs/dbraw/zinc/11/45/93/1418114593.db2.gz OPWIOVDKXSRFRA-UYAOXDASSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)c1 ZINC001713459836 1418114595 /nfs/dbraw/zinc/11/45/95/1418114595.db2.gz OPWIOVDKXSRFRA-UYAOXDASSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)c1 ZINC001713459836 1418114597 /nfs/dbraw/zinc/11/45/97/1418114597.db2.gz OPWIOVDKXSRFRA-UYAOXDASSA-N 2 1 345.531 3.224 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001713515547 1418250941 /nfs/dbraw/zinc/25/09/41/1418250941.db2.gz WXBPAZLVBOBPQN-MSOLQXFVSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001713515547 1418250944 /nfs/dbraw/zinc/25/09/44/1418250944.db2.gz WXBPAZLVBOBPQN-MSOLQXFVSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001713515547 1418250952 /nfs/dbraw/zinc/25/09/52/1418250952.db2.gz WXBPAZLVBOBPQN-MSOLQXFVSA-N 2 1 339.568 3.227 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)CC1CCCCCC1 ZINC001713547698 1418320617 /nfs/dbraw/zinc/32/06/17/1418320617.db2.gz GVIISOJBHPXAIQ-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)CC1CCCCCC1 ZINC001713547698 1418320619 /nfs/dbraw/zinc/32/06/19/1418320619.db2.gz GVIISOJBHPXAIQ-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](CC)c1ccccc1 ZINC001713598529 1418388466 /nfs/dbraw/zinc/38/84/66/1418388466.db2.gz UJBCYJDGUBRGKH-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001713625529 1418398951 /nfs/dbraw/zinc/39/89/51/1418398951.db2.gz AFEAAKWCMRUNNL-SJLPKXTDSA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001714110154 1418911263 /nfs/dbraw/zinc/91/12/63/1418911263.db2.gz XSLGCJUJNMUXQY-GOSISDBHSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCC1CC[NH+](CC2CCC2)CC1 ZINC001714330622 1419110076 /nfs/dbraw/zinc/11/00/76/1419110076.db2.gz RSXIFBKLUQTAGM-UHFFFAOYSA-N 2 1 346.519 3.025 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001714443295 1419175505 /nfs/dbraw/zinc/17/55/05/1419175505.db2.gz YXCDOESMBJVRMH-SFHVURJKSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)CCC1CCCC1 ZINC001714583383 1419323299 /nfs/dbraw/zinc/32/32/99/1419323299.db2.gz GPGPUBBYFGUWBG-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@H](C)c1ccccc1F ZINC001714619294 1419384569 /nfs/dbraw/zinc/38/45/69/1419384569.db2.gz OISVARZNTJQJIL-IAGOWNOFSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)c1ccccc1F ZINC001714619294 1419384581 /nfs/dbraw/zinc/38/45/81/1419384581.db2.gz OISVARZNTJQJIL-IAGOWNOFSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1[C@H](C)c1ccccc1F ZINC001714619294 1419384584 /nfs/dbraw/zinc/38/45/84/1419384584.db2.gz OISVARZNTJQJIL-IAGOWNOFSA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001714943253 1419687565 /nfs/dbraw/zinc/68/75/65/1419687565.db2.gz GNGRMLDEHVXVHW-MRXNPFEDSA-N 2 1 331.504 3.013 20 0 EGADMP CCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC001715035818 1419770542 /nfs/dbraw/zinc/77/05/42/1419770542.db2.gz AWNMPRWMZNHBMY-MJGOQNOKSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)C[N@H+](C)C1CCC1)[C@H]1CC[NH+](C[C@H](C)CC(C)C)C1 ZINC001715035818 1419770545 /nfs/dbraw/zinc/77/05/45/1419770545.db2.gz AWNMPRWMZNHBMY-MJGOQNOKSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)C[N@@H+](C)C1CCC1)[C@H]1CC[NH+](C[C@H](C)CC(C)C)C1 ZINC001715035818 1419770548 /nfs/dbraw/zinc/77/05/48/1419770548.db2.gz AWNMPRWMZNHBMY-MJGOQNOKSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001715568535 1420257695 /nfs/dbraw/zinc/25/76/95/1420257695.db2.gz XZDBZVYIBCGJJT-PMACEKPBSA-N 2 1 345.531 3.020 20 0 EGADMP CN(CC[N@H+](C)CCC1CCCC1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001716026756 1420483901 /nfs/dbraw/zinc/48/39/01/1420483901.db2.gz WPILOYKDVFSOMW-HXUWFJFHSA-N 2 1 345.531 3.260 20 0 EGADMP CN(CC[N@@H+](C)CCC1CCCC1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001716026756 1420483903 /nfs/dbraw/zinc/48/39/03/1420483903.db2.gz WPILOYKDVFSOMW-HXUWFJFHSA-N 2 1 345.531 3.260 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)Cn1cc[nH+]c1C ZINC001716254233 1420584280 /nfs/dbraw/zinc/58/42/80/1420584280.db2.gz ZQAKZPJQDYBJAS-AWEZNQCLSA-N 2 1 348.878 3.044 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001716501122 1420727585 /nfs/dbraw/zinc/72/75/85/1420727585.db2.gz ALJGUMRIHMRBIR-IRXDYDNUSA-N 2 1 345.531 3.015 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001716501122 1420727587 /nfs/dbraw/zinc/72/75/87/1420727587.db2.gz ALJGUMRIHMRBIR-IRXDYDNUSA-N 2 1 345.531 3.015 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001716501122 1420727589 /nfs/dbraw/zinc/72/75/89/1420727589.db2.gz ALJGUMRIHMRBIR-IRXDYDNUSA-N 2 1 345.531 3.015 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)C[C@@H]1C ZINC001716772055 1420915752 /nfs/dbraw/zinc/91/57/52/1420915752.db2.gz YRJNRKOCOMILJQ-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1(C)CC[NH+](Cc2cccc(F)c2)CC1 ZINC001716799778 1420932979 /nfs/dbraw/zinc/93/29/79/1420932979.db2.gz MYTHKDYFISGRGS-UHFFFAOYSA-N 2 1 349.494 3.028 20 0 EGADMP CC(C)[NH+]1CCC(C)(CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001716886598 1421010242 /nfs/dbraw/zinc/01/02/42/1421010242.db2.gz WHILIXKRHOHICV-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP CC1CC(C[N@H+]2CCC[C@](C)(CNC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001716902306 1421034573 /nfs/dbraw/zinc/03/45/73/1421034573.db2.gz BPIVQSBZSDKBBB-GZNCHQMQSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001717201940 1421169876 /nfs/dbraw/zinc/16/98/76/1421169876.db2.gz LFBWFIAXVKJYTN-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001717201940 1421169879 /nfs/dbraw/zinc/16/98/79/1421169879.db2.gz LFBWFIAXVKJYTN-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001717201940 1421169881 /nfs/dbraw/zinc/16/98/81/1421169881.db2.gz LFBWFIAXVKJYTN-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2c(C)cc(C)cc2C)CCC1 ZINC001717161673 1421151733 /nfs/dbraw/zinc/15/17/33/1421151733.db2.gz OCWWOPRXDHMZPX-UHFFFAOYSA-N 2 1 345.531 3.082 20 0 EGADMP CCCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001717344609 1421283674 /nfs/dbraw/zinc/28/36/74/1421283674.db2.gz UVKXERMOUAJSJT-WOJBJXKFSA-N 2 1 345.531 3.088 20 0 EGADMP CCCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001717344608 1421283768 /nfs/dbraw/zinc/28/37/68/1421283768.db2.gz UVKXERMOUAJSJT-VQTJNVASSA-N 2 1 345.531 3.088 20 0 EGADMP CCCC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001733291160 1429470000 /nfs/dbraw/zinc/47/00/00/1429470000.db2.gz BHBAAYGSCHZJDQ-NRFANRHFSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@]2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001733291160 1429470004 /nfs/dbraw/zinc/47/00/04/1429470004.db2.gz BHBAAYGSCHZJDQ-NRFANRHFSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@]2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001733291160 1429470010 /nfs/dbraw/zinc/47/00/10/1429470010.db2.gz BHBAAYGSCHZJDQ-NRFANRHFSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001733291163 1429470705 /nfs/dbraw/zinc/47/07/05/1429470705.db2.gz BHBAAYGSCHZJDQ-OAQYLSRUSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001733291163 1429470706 /nfs/dbraw/zinc/47/07/06/1429470706.db2.gz BHBAAYGSCHZJDQ-OAQYLSRUSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001733291163 1429470709 /nfs/dbraw/zinc/47/07/09/1429470709.db2.gz BHBAAYGSCHZJDQ-OAQYLSRUSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC1CCC(C)(C)CC1)[NH+](C)C ZINC001717495959 1421437042 /nfs/dbraw/zinc/43/70/42/1421437042.db2.gz YUBPIYAVDNPAQF-AEFFLSMTSA-N 2 1 339.568 3.226 20 0 EGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001717537179 1421475136 /nfs/dbraw/zinc/47/51/36/1421475136.db2.gz YYAHHTAUGZJCQE-GOSISDBHSA-N 2 1 337.552 3.412 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCCCC[N@@H+]1CCCC1CCC1 ZINC001717543435 1421483945 /nfs/dbraw/zinc/48/39/45/1421483945.db2.gz YFCIFIPKQIRERH-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCCCC[N@H+]1CCCC1CCC1 ZINC001717543435 1421483947 /nfs/dbraw/zinc/48/39/47/1421483947.db2.gz YFCIFIPKQIRERH-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001733410987 1429611520 /nfs/dbraw/zinc/61/15/20/1429611520.db2.gz HBGDKDGJVKCABK-JXFKEZNVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001733410987 1429611521 /nfs/dbraw/zinc/61/15/21/1429611521.db2.gz HBGDKDGJVKCABK-JXFKEZNVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001733410987 1429611524 /nfs/dbraw/zinc/61/15/24/1429611524.db2.gz HBGDKDGJVKCABK-JXFKEZNVSA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001724172521 1424707351 /nfs/dbraw/zinc/70/73/51/1424707351.db2.gz BPYBLDQPONKZJM-UYAOXDASSA-N 2 1 343.515 3.060 20 0 EGADMP CCCC[N@H+]1CCC[C@@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001724339477 1424831904 /nfs/dbraw/zinc/83/19/04/1424831904.db2.gz CEBHZWDWZJMMDK-NRFANRHFSA-N 2 1 345.531 3.380 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001724979978 1425381496 /nfs/dbraw/zinc/38/14/96/1425381496.db2.gz RHPWHUQXCJBZPY-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCCC(C)(C)C)CC1 ZINC001725048977 1425480406 /nfs/dbraw/zinc/48/04/06/1425480406.db2.gz QMJRLYJMOATKNS-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1F ZINC001725139127 1425616068 /nfs/dbraw/zinc/61/60/68/1425616068.db2.gz CVTJPFAGNVASMO-YJBOKZPZSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001731354865 1427295042 /nfs/dbraw/zinc/29/50/42/1427295042.db2.gz CGTZQAXEYKOGCM-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@H](CC)c2ccccc2)C1 ZINC001731354865 1427295046 /nfs/dbraw/zinc/29/50/46/1427295046.db2.gz CGTZQAXEYKOGCM-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC001731354865 1427295049 /nfs/dbraw/zinc/29/50/49/1427295049.db2.gz CGTZQAXEYKOGCM-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001731628600 1427679224 /nfs/dbraw/zinc/67/92/24/1427679224.db2.gz LVKXLUXYLGKYQA-IRXDYDNUSA-N 2 1 341.499 3.337 20 0 EGADMP CC[C@H]([NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC001731637279 1427693663 /nfs/dbraw/zinc/69/36/63/1427693663.db2.gz MSAFHLNZHMGCAB-GUYCJALGSA-N 2 1 348.878 3.091 20 0 EGADMP CC[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC)c1ccccc1 ZINC001733711025 1429927665 /nfs/dbraw/zinc/92/76/65/1429927665.db2.gz YXJZOQXQIWDMIU-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP CN(CCC[N@@H+](C)CC1CCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001733778852 1430034572 /nfs/dbraw/zinc/03/45/72/1430034572.db2.gz OVUMLGKPQRRDIW-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cccc(CC)c2)[C@H](C)C1 ZINC001733897976 1437715571 /nfs/dbraw/zinc/71/55/71/1437715571.db2.gz BOLMIJDZQQPLOZ-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2cccc(CC)c2)[C@H](C)C1 ZINC001733897976 1437715572 /nfs/dbraw/zinc/71/55/72/1437715572.db2.gz BOLMIJDZQQPLOZ-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(CC)c2)[C@H](C)C1 ZINC001733897976 1437715574 /nfs/dbraw/zinc/71/55/74/1437715574.db2.gz BOLMIJDZQQPLOZ-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001734060092 1437853535 /nfs/dbraw/zinc/85/35/35/1437853535.db2.gz SMLMHADJXUFSMH-ZWKOTPCHSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)CC[NH+]2CCCCC2)c(C)c1 ZINC001734065252 1437860049 /nfs/dbraw/zinc/86/00/49/1437860049.db2.gz IRTXOZYYPOFJPE-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001734065889 1437860722 /nfs/dbraw/zinc/86/07/22/1437860722.db2.gz NISGXHAQJIETLW-OALUTQOASA-N 2 1 345.531 3.369 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC([N@@H+](C)CCCC3CCCC3)CC2)CCC1 ZINC001734268772 1437990154 /nfs/dbraw/zinc/99/01/54/1437990154.db2.gz AAFGVTCCZZFJQY-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC001734351254 1438069145 /nfs/dbraw/zinc/06/91/45/1438069145.db2.gz AEKIKFXZYITKEA-YLJYHZDGSA-N 2 1 345.531 3.232 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)Cc1ccc(F)cc1 ZINC001752230248 1440158206 /nfs/dbraw/zinc/15/82/06/1440158206.db2.gz SMSUWQHIUUFJKS-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP CC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1CC)Cc1ccc(F)cc1 ZINC001752230248 1440158207 /nfs/dbraw/zinc/15/82/07/1440158207.db2.gz SMSUWQHIUUFJKS-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP CC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1CC)Cc1ccc(F)cc1 ZINC001752230248 1440158208 /nfs/dbraw/zinc/15/82/08/1440158208.db2.gz SMSUWQHIUUFJKS-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC001752310206 1440169755 /nfs/dbraw/zinc/16/97/55/1440169755.db2.gz KWYDSYRUOROXNG-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001752396077 1440173919 /nfs/dbraw/zinc/17/39/19/1440173919.db2.gz LHAXSBBNBHOPTL-VQIMIIECSA-N 2 1 331.504 3.013 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H](C[N@@H+](C)CCCC2CCC2)C1)C1CCC1 ZINC001752507923 1440189784 /nfs/dbraw/zinc/18/97/84/1440189784.db2.gz ISCYMVXCPOUGKO-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCC1)C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001752507923 1440189785 /nfs/dbraw/zinc/18/97/85/1440189785.db2.gz ISCYMVXCPOUGKO-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCC1)C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001752507923 1440189786 /nfs/dbraw/zinc/18/97/86/1440189786.db2.gz ISCYMVXCPOUGKO-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001752527708 1440193496 /nfs/dbraw/zinc/19/34/96/1440193496.db2.gz MZMOVFPKSZIKKV-MOPGFXCFSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001752527708 1440193497 /nfs/dbraw/zinc/19/34/97/1440193497.db2.gz MZMOVFPKSZIKKV-MOPGFXCFSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001752527708 1440193498 /nfs/dbraw/zinc/19/34/98/1440193498.db2.gz MZMOVFPKSZIKKV-MOPGFXCFSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001752545506 1440195113 /nfs/dbraw/zinc/19/51/13/1440195113.db2.gz WJFHXIVNKKDANU-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001752629432 1440197043 /nfs/dbraw/zinc/19/70/43/1440197043.db2.gz XWJGKKWOEGWXNF-GUDVDZBRSA-N 2 1 349.563 3.458 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001752638951 1440197534 /nfs/dbraw/zinc/19/75/34/1440197534.db2.gz GKOHDNVSOOCJJE-QAQDUYKDSA-N 2 1 335.536 3.066 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCCC(C)(C)C)C1 ZINC001752699028 1440201530 /nfs/dbraw/zinc/20/15/30/1440201530.db2.gz VQBKTKFAICBBMR-QBUWPKIASA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC(C)(C)C)C1 ZINC001752699028 1440201531 /nfs/dbraw/zinc/20/15/31/1440201531.db2.gz VQBKTKFAICBBMR-QBUWPKIASA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC(C)(C)C)C1 ZINC001752699028 1440201532 /nfs/dbraw/zinc/20/15/32/1440201532.db2.gz VQBKTKFAICBBMR-QBUWPKIASA-N 2 1 349.563 3.266 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001752709185 1440203343 /nfs/dbraw/zinc/20/33/43/1440203343.db2.gz ZRMAEFOFCZCRDG-DXPXIUTNSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)C[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001752802317 1440215213 /nfs/dbraw/zinc/21/52/13/1440215213.db2.gz ZRLIFWPGFXLDEH-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001752818805 1440219573 /nfs/dbraw/zinc/21/95/73/1440219573.db2.gz JDLPISDGMPZEDY-RZZOZFHJSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001752818805 1440219574 /nfs/dbraw/zinc/21/95/74/1440219574.db2.gz JDLPISDGMPZEDY-RZZOZFHJSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001752818805 1440219575 /nfs/dbraw/zinc/21/95/75/1440219575.db2.gz JDLPISDGMPZEDY-RZZOZFHJSA-N 2 1 349.563 3.434 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@H+]2CCC2CCCCC2)CCC1 ZINC001752820682 1440220346 /nfs/dbraw/zinc/22/03/46/1440220346.db2.gz GXPJOMKRFZQAGA-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC001752853462 1440234263 /nfs/dbraw/zinc/23/42/63/1440234263.db2.gz KZMJTASIIJWOMQ-JXMROGBWSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC1CCCCC1 ZINC001752903493 1440243643 /nfs/dbraw/zinc/24/36/43/1440243643.db2.gz PQHLIKYBINRVLT-HKUYNNGSSA-N 2 1 337.552 3.314 20 0 EGADMP C[N@@H+](CCCC1CCCC1)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001752997715 1440263047 /nfs/dbraw/zinc/26/30/47/1440263047.db2.gz SLSLGHOJQYNDLX-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001752997715 1440263048 /nfs/dbraw/zinc/26/30/48/1440263048.db2.gz SLSLGHOJQYNDLX-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001752997715 1440263049 /nfs/dbraw/zinc/26/30/49/1440263049.db2.gz SLSLGHOJQYNDLX-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001753031712 1440273095 /nfs/dbraw/zinc/27/30/95/1440273095.db2.gz ZWTISASFSWQFNK-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CC1CCC(C)CC1 ZINC001753065929 1440285559 /nfs/dbraw/zinc/28/55/59/1440285559.db2.gz DGGJTAWCAYVFCY-CTWPCTMYSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)CC1CCC(C)CC1 ZINC001753065929 1440285560 /nfs/dbraw/zinc/28/55/60/1440285560.db2.gz DGGJTAWCAYVFCY-CTWPCTMYSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CC1CCC(C)CC1 ZINC001753065929 1440285561 /nfs/dbraw/zinc/28/55/61/1440285561.db2.gz DGGJTAWCAYVFCY-CTWPCTMYSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)CCC(C)(C)C ZINC001753094698 1440301680 /nfs/dbraw/zinc/30/16/80/1440301680.db2.gz GUEBOGPYQNBNCB-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001753112347 1440308972 /nfs/dbraw/zinc/30/89/72/1440308972.db2.gz AVQAKVUNHVKUEX-WWAPKCSDSA-N 2 1 335.536 3.188 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001753136190 1440319060 /nfs/dbraw/zinc/31/90/60/1440319060.db2.gz UJLUGZLFJRVREP-GLCUZYPYSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001753136190 1440319061 /nfs/dbraw/zinc/31/90/61/1440319061.db2.gz UJLUGZLFJRVREP-GLCUZYPYSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001753136190 1440319062 /nfs/dbraw/zinc/31/90/62/1440319062.db2.gz UJLUGZLFJRVREP-GLCUZYPYSA-N 2 1 349.563 3.434 20 0 EGADMP CN(CC[NH2+]CCC1CCCCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001753203140 1440338573 /nfs/dbraw/zinc/33/85/73/1440338573.db2.gz SKQYUIWUFPOLPT-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC([C@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001753283372 1440348067 /nfs/dbraw/zinc/34/80/67/1440348067.db2.gz QEFAMLCVOLZGKY-KRWDZBQOSA-N 2 1 337.552 3.124 20 0 EGADMP CCCN(C(=O)[C@@]12CC[NH+](C1)CCC2)[C@@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001753321542 1440363899 /nfs/dbraw/zinc/36/38/99/1440363899.db2.gz AZNIKJYVZFREKH-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCCN(C(=O)[C@@]12CC[N@H+](C1)CCC2)[C@@H]1CC[NH+](CC(CC)CC)C1 ZINC001753321542 1440363900 /nfs/dbraw/zinc/36/39/00/1440363900.db2.gz AZNIKJYVZFREKH-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCCN(C(=O)[C@@]12CC[N@@H+](C1)CCC2)[C@@H]1CC[NH+](CC(CC)CC)C1 ZINC001753321542 1440363901 /nfs/dbraw/zinc/36/39/01/1440363901.db2.gz AZNIKJYVZFREKH-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CC[N@@H+](C[C@H](C)CC)C1 ZINC001753325507 1440366333 /nfs/dbraw/zinc/36/63/33/1440366333.db2.gz BPRZWMGZJMRERU-QZTJIDSGSA-N 2 1 339.568 3.323 20 0 EGADMP CCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1CC[NH+](C[C@H](C)CC)C1 ZINC001753325507 1440366334 /nfs/dbraw/zinc/36/63/34/1440366334.db2.gz BPRZWMGZJMRERU-QZTJIDSGSA-N 2 1 339.568 3.323 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1CC[NH+](C[C@H](C)CC)C1 ZINC001753325507 1440366335 /nfs/dbraw/zinc/36/63/35/1440366335.db2.gz BPRZWMGZJMRERU-QZTJIDSGSA-N 2 1 339.568 3.323 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001753337339 1440373313 /nfs/dbraw/zinc/37/33/13/1440373313.db2.gz LYKACFAWMUMTLS-RTBURBONSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001753337339 1440373314 /nfs/dbraw/zinc/37/33/14/1440373314.db2.gz LYKACFAWMUMTLS-RTBURBONSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001753337339 1440373315 /nfs/dbraw/zinc/37/33/15/1440373315.db2.gz LYKACFAWMUMTLS-RTBURBONSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001753341410 1440375650 /nfs/dbraw/zinc/37/56/50/1440375650.db2.gz XLJBMVRKPBYDKA-QUCCMNQESA-N 2 1 343.515 3.084 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001753341410 1440375651 /nfs/dbraw/zinc/37/56/51/1440375651.db2.gz XLJBMVRKPBYDKA-QUCCMNQESA-N 2 1 343.515 3.084 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@@H](CC)c2ccccc2)C1 ZINC001753358163 1440381076 /nfs/dbraw/zinc/38/10/76/1440381076.db2.gz KKOCJQOKJVQETN-ICSRJNTNSA-N 2 1 345.531 3.260 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](CC)c2ccccc2)C1 ZINC001753358163 1440381077 /nfs/dbraw/zinc/38/10/77/1440381077.db2.gz KKOCJQOKJVQETN-ICSRJNTNSA-N 2 1 345.531 3.260 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](CC)c2ccccc2)C1 ZINC001753358163 1440381078 /nfs/dbraw/zinc/38/10/78/1440381078.db2.gz KKOCJQOKJVQETN-ICSRJNTNSA-N 2 1 345.531 3.260 20 0 EGADMP CC/C=C/CC[N@@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001753359544 1440382066 /nfs/dbraw/zinc/38/20/66/1440382066.db2.gz JPXZZLLXDINRFC-OVKVCFKUSA-N 2 1 349.563 3.243 20 0 EGADMP CCCCCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001753403744 1440391479 /nfs/dbraw/zinc/39/14/79/1440391479.db2.gz HNFIOWCOMDOYLX-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+]2CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001753428642 1440397685 /nfs/dbraw/zinc/39/76/85/1440397685.db2.gz HTNWSXAYWQHODO-WSTZPKSXSA-N 2 1 345.531 3.141 20 0 EGADMP CN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001753440189 1440401549 /nfs/dbraw/zinc/40/15/49/1440401549.db2.gz UYEABWDOGGGYNR-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001753440189 1440401550 /nfs/dbraw/zinc/40/15/50/1440401550.db2.gz UYEABWDOGGGYNR-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)CC[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001753440189 1440401551 /nfs/dbraw/zinc/40/15/51/1440401551.db2.gz UYEABWDOGGGYNR-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001753448663 1440404980 /nfs/dbraw/zinc/40/49/80/1440404980.db2.gz YWJBCIBUKGSRAM-RTBURBONSA-N 2 1 345.531 3.321 20 0 EGADMP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001753461103 1440410697 /nfs/dbraw/zinc/41/06/97/1440410697.db2.gz DLRDSDJJMWYXJQ-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CCN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001753461103 1440410698 /nfs/dbraw/zinc/41/06/98/1440410698.db2.gz DLRDSDJJMWYXJQ-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001753461103 1440410699 /nfs/dbraw/zinc/41/06/99/1440410699.db2.gz DLRDSDJJMWYXJQ-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[NH2+]Cc1c(C)cccc1C ZINC001753471387 1440414045 /nfs/dbraw/zinc/41/40/45/1440414045.db2.gz LUPQCFXNZICWDN-ICSRJNTNSA-N 2 1 345.531 3.161 20 0 EGADMP CCC(CC)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001753550533 1440434878 /nfs/dbraw/zinc/43/48/78/1440434878.db2.gz SMROEFVPPCMPJQ-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](C[C@H](C)CC)CC1 ZINC001753594491 1440444055 /nfs/dbraw/zinc/44/40/55/1440444055.db2.gz DIOGPXJITZUTRJ-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC1CC[NH+](CCCC2CCC2)CC1 ZINC001753596119 1440444755 /nfs/dbraw/zinc/44/47/55/1440444755.db2.gz VGLAMYBVJFPSQN-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC2(CC[NH+](CCC3CCCC3)C2)CC1 ZINC001753603020 1440447073 /nfs/dbraw/zinc/44/70/73/1440447073.db2.gz KBAVNQVTFKYOEA-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC2(CC[N@H+](CCC3CCCC3)C2)CC1 ZINC001753603020 1440447074 /nfs/dbraw/zinc/44/70/74/1440447074.db2.gz KBAVNQVTFKYOEA-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC2(CC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001753603020 1440447075 /nfs/dbraw/zinc/44/70/75/1440447075.db2.gz KBAVNQVTFKYOEA-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP Cc1cc(C)cc(C[NH2+]C[C@@H](C)CNC(=O)CC[C@H]2CCC[N@H+]2C)c1 ZINC001753617923 1440450066 /nfs/dbraw/zinc/45/00/66/1440450066.db2.gz BGPPVFOMPZKWGK-UYAOXDASSA-N 2 1 345.531 3.020 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C[NH2+]CC1CC(C)(C)C1 ZINC001753617973 1440450092 /nfs/dbraw/zinc/45/00/92/1440450092.db2.gz CADSLWIOSWYDSF-LPHOPBHVSA-N 2 1 349.563 3.172 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCC3CCCCC3)CCCC2)C1 ZINC001753670807 1440461837 /nfs/dbraw/zinc/46/18/37/1440461837.db2.gz FNMVQRYZQOVGNJ-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccccc2C)C1 ZINC001753798738 1440490351 /nfs/dbraw/zinc/49/03/51/1440490351.db2.gz FFFSGOINHTXNDV-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001753855144 1440508531 /nfs/dbraw/zinc/50/85/31/1440508531.db2.gz MQJNRCPETPZHRD-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001753855144 1440508532 /nfs/dbraw/zinc/50/85/32/1440508532.db2.gz MQJNRCPETPZHRD-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001753855144 1440508533 /nfs/dbraw/zinc/50/85/33/1440508533.db2.gz MQJNRCPETPZHRD-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001753855142 1440508571 /nfs/dbraw/zinc/50/85/71/1440508571.db2.gz MQJNRCPETPZHRD-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001753855142 1440508572 /nfs/dbraw/zinc/50/85/72/1440508572.db2.gz MQJNRCPETPZHRD-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001753855142 1440508573 /nfs/dbraw/zinc/50/85/73/1440508573.db2.gz MQJNRCPETPZHRD-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[N@@H+](C)CCN(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001753856320 1440509128 /nfs/dbraw/zinc/50/91/28/1440509128.db2.gz FFBBMYFAJRIQIQ-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001753877384 1440519665 /nfs/dbraw/zinc/51/96/65/1440519665.db2.gz GEMAQHJWPMDWAU-VQTJNVASSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@H]21 ZINC001753878143 1440519963 /nfs/dbraw/zinc/51/99/63/1440519963.db2.gz NXPIQTGCCRMUTG-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CCC[NH2+]CC[C@@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001753999711 1440530059 /nfs/dbraw/zinc/53/00/59/1440530059.db2.gz OUCHINNRPXWNKA-APWZRJJASA-N 2 1 343.531 3.120 20 0 EGADMP CCN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001754070391 1440538005 /nfs/dbraw/zinc/53/80/05/1440538005.db2.gz DKKXIVXNLGLVRH-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001754283765 1440563644 /nfs/dbraw/zinc/56/36/44/1440563644.db2.gz KKXDMKOZTTVWTJ-INIZCTEOSA-N 2 1 337.552 3.029 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001754350866 1440590731 /nfs/dbraw/zinc/59/07/31/1440590731.db2.gz GQUHIIHAKWEDJL-QZTJIDSGSA-N 2 1 348.535 3.282 20 0 EGADMP Cc1cc(C)cc(C[NH2+]C2(CNC(=O)C[N@H+](C)CC(C)(C)C)CC2)c1 ZINC001754525398 1440620958 /nfs/dbraw/zinc/62/09/58/1440620958.db2.gz ONYQLSUYUUWEPU-UHFFFAOYSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC001754542773 1440626387 /nfs/dbraw/zinc/62/63/87/1440626387.db2.gz DDYVTVQEIRFXOP-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001754542773 1440626388 /nfs/dbraw/zinc/62/63/88/1440626388.db2.gz DDYVTVQEIRFXOP-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001754542773 1440626389 /nfs/dbraw/zinc/62/63/89/1440626389.db2.gz DDYVTVQEIRFXOP-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC1CC1)C1CCCC1 ZINC001754654764 1440653148 /nfs/dbraw/zinc/65/31/48/1440653148.db2.gz JWFMUBRYHVIVQI-WOJBJXKFSA-N 2 1 349.563 3.314 20 0 EGADMP CCCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001754716554 1440671651 /nfs/dbraw/zinc/67/16/51/1440671651.db2.gz SHPIWFSGIYWXJA-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CC1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC[NH+](CC2CC2)CC1 ZINC001754718249 1440672314 /nfs/dbraw/zinc/67/23/14/1440672314.db2.gz VIHRROWKGOWOSV-IBGZPJMESA-N 2 1 347.547 3.022 20 0 EGADMP CC1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC[NH+](CC2CC2)CC1 ZINC001754718250 1440672352 /nfs/dbraw/zinc/67/23/52/1440672352.db2.gz VIHRROWKGOWOSV-LJQANCHMSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001754720008 1440672794 /nfs/dbraw/zinc/67/27/94/1440672794.db2.gz FWKLGNIMRJSMBV-IBGZPJMESA-N 2 1 349.563 3.434 20 0 EGADMP CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001754733917 1440681398 /nfs/dbraw/zinc/68/13/98/1440681398.db2.gz QNZVQPRRCQMITB-QUCCMNQESA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCCC2)CCC1 ZINC001754983280 1440721860 /nfs/dbraw/zinc/72/18/60/1440721860.db2.gz XHXVIVPNPVCSHD-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP C[N@@H+](CC(=O)NCC1([NH2+]CCC2CCCC2)CCC1)CC(C)(C)C ZINC001754987428 1440723224 /nfs/dbraw/zinc/72/32/24/1440723224.db2.gz RSARKQBODRLMTQ-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCC1 ZINC001754988021 1440723359 /nfs/dbraw/zinc/72/33/59/1440723359.db2.gz OOXSZDPEBPJBQM-MSOLQXFVSA-N 2 1 335.536 3.068 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001755142569 1440761382 /nfs/dbraw/zinc/76/13/82/1440761382.db2.gz BOUXPXPIYNWXOI-DKFQHHCZSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1CCC(C)(C)C ZINC001755163240 1440765855 /nfs/dbraw/zinc/76/58/55/1440765855.db2.gz FPJLHNQDJAHSCX-IRXDYDNUSA-N 2 1 339.568 3.370 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1CCC(C)(C)C ZINC001755163240 1440765856 /nfs/dbraw/zinc/76/58/56/1440765856.db2.gz FPJLHNQDJAHSCX-IRXDYDNUSA-N 2 1 339.568 3.370 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1CCC(C)(C)C ZINC001755163240 1440765857 /nfs/dbraw/zinc/76/58/57/1440765857.db2.gz FPJLHNQDJAHSCX-IRXDYDNUSA-N 2 1 339.568 3.370 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]2C)c(C)c1 ZINC001755165081 1440766702 /nfs/dbraw/zinc/76/67/02/1440766702.db2.gz DXRJLPZTCLZSAX-UYAOXDASSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C)c(C)c1 ZINC001755165081 1440766703 /nfs/dbraw/zinc/76/67/03/1440766703.db2.gz DXRJLPZTCLZSAX-UYAOXDASSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C)c(C)c1 ZINC001755165081 1440766704 /nfs/dbraw/zinc/76/67/04/1440766704.db2.gz DXRJLPZTCLZSAX-UYAOXDASSA-N 2 1 345.531 3.113 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CCC3(CC3)CC2)[C@@H](C)C1 ZINC001755165646 1440767203 /nfs/dbraw/zinc/76/72/03/1440767203.db2.gz PGSPHODWKZWEQG-HKUYNNGSSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)[C@@H](C)C1 ZINC001755165646 1440767204 /nfs/dbraw/zinc/76/72/04/1440767204.db2.gz PGSPHODWKZWEQG-HKUYNNGSSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)[C@@H](C)C1 ZINC001755165646 1440767205 /nfs/dbraw/zinc/76/72/05/1440767205.db2.gz PGSPHODWKZWEQG-HKUYNNGSSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001755205074 1440781858 /nfs/dbraw/zinc/78/18/58/1440781858.db2.gz PUXGJYFIQZRCCJ-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001755205074 1440781859 /nfs/dbraw/zinc/78/18/59/1440781859.db2.gz PUXGJYFIQZRCCJ-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001755205074 1440781860 /nfs/dbraw/zinc/78/18/60/1440781860.db2.gz PUXGJYFIQZRCCJ-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CN(C(=O)C[N@@H+](C)C1CCC1)C1CCC([NH2+]CC2CCCC2)CC1 ZINC001755274827 1440798620 /nfs/dbraw/zinc/79/86/20/1440798620.db2.gz KSPHJTKJUZEEIH-UHFFFAOYSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001755277309 1440799576 /nfs/dbraw/zinc/79/95/76/1440799576.db2.gz HWBIIKSOSWXMCU-MOPGFXCFSA-N 2 1 345.531 3.306 20 0 EGADMP CCc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001755327666 1440822712 /nfs/dbraw/zinc/82/27/12/1440822712.db2.gz JOJJTJRTXOHIHH-GOSISDBHSA-N 2 1 345.531 3.062 20 0 EGADMP C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CCC2CCCCCC2)C1 ZINC001755389389 1440841674 /nfs/dbraw/zinc/84/16/74/1440841674.db2.gz VSQYVYCHNGDDJI-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H]1C[N@@H+](CCC2CC2)CC1(C)C)[NH+]1CCCCC1 ZINC001755416563 1440849097 /nfs/dbraw/zinc/84/90/97/1440849097.db2.gz UTJQBRUYYNXFQG-RBUKOAKNSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](CC3=CCCCC3)C[C@H]2C1 ZINC001755451429 1440853646 /nfs/dbraw/zinc/85/36/46/1440853646.db2.gz FZKUJYLTYYBQHW-XUVXKRRUSA-N 2 1 347.547 3.045 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]2C1 ZINC001755451429 1440853647 /nfs/dbraw/zinc/85/36/47/1440853647.db2.gz FZKUJYLTYYBQHW-XUVXKRRUSA-N 2 1 347.547 3.045 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2C1 ZINC001755451429 1440853648 /nfs/dbraw/zinc/85/36/48/1440853648.db2.gz FZKUJYLTYYBQHW-XUVXKRRUSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755588264 1440880808 /nfs/dbraw/zinc/88/08/08/1440880808.db2.gz VNZFTNUKYFTXGN-ZWKOTPCHSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH2+]Cc1ccsc1 ZINC001755591250 1440881577 /nfs/dbraw/zinc/88/15/77/1440881577.db2.gz WMKAIQKLQPKDIJ-MAUKXSAKSA-N 2 1 349.544 3.092 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CCCC(C)C)CC3)CC[N@H+]1C ZINC001755702271 1440900721 /nfs/dbraw/zinc/90/07/21/1440900721.db2.gz PAWSZPLBOYZCMU-QEUVDIPISA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](CCCC(C)C)CC3)CC[NH+]1C ZINC001755702271 1440900722 /nfs/dbraw/zinc/90/07/22/1440900722.db2.gz PAWSZPLBOYZCMU-QEUVDIPISA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCCC(C)C)CC3)CC[NH+]1C ZINC001755702271 1440900723 /nfs/dbraw/zinc/90/07/23/1440900723.db2.gz PAWSZPLBOYZCMU-QEUVDIPISA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1CC1CCCCC1 ZINC001755716492 1440905326 /nfs/dbraw/zinc/90/53/26/1440905326.db2.gz AGRIRZOEVHTSOV-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1CC1CCC(C)(C)CC1 ZINC001755720348 1440906975 /nfs/dbraw/zinc/90/69/75/1440906975.db2.gz DUODFSIRXRJLMB-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)[C@@H]1C ZINC001755721155 1440907536 /nfs/dbraw/zinc/90/75/36/1440907536.db2.gz MLUMRCKBZVGJCY-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)[C@@H]1C ZINC001755721155 1440907537 /nfs/dbraw/zinc/90/75/37/1440907537.db2.gz MLUMRCKBZVGJCY-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)[C@@H]1C ZINC001755721155 1440907538 /nfs/dbraw/zinc/90/75/38/1440907538.db2.gz MLUMRCKBZVGJCY-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001755764090 1440915667 /nfs/dbraw/zinc/91/56/67/1440915667.db2.gz YZGPFRGGUUJOLB-YJBOKZPZSA-N 2 1 349.494 3.055 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1(C)C ZINC001755766544 1440916357 /nfs/dbraw/zinc/91/63/57/1440916357.db2.gz MHNXGXHNGCJPKO-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)N(CC[N@@H+](C)Cc1ccccc1)C(=O)CC1CC[NH+](C)CC1 ZINC001755814761 1440922789 /nfs/dbraw/zinc/92/27/89/1440922789.db2.gz NETMCHNHKIPDKE-UHFFFAOYSA-N 2 1 345.531 3.087 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(CC[N@H+](C)CCCC(C)(C)C)C(C)C ZINC001755815696 1440923356 /nfs/dbraw/zinc/92/33/56/1440923356.db2.gz SHCKVLKXJVGCDN-UHFFFAOYSA-N 2 1 336.524 3.187 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(CC[N@@H+](C)CCCC(C)(C)C)C(C)C ZINC001755815696 1440923357 /nfs/dbraw/zinc/92/33/57/1440923357.db2.gz SHCKVLKXJVGCDN-UHFFFAOYSA-N 2 1 336.524 3.187 20 0 EGADMP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)(C)C ZINC001755839892 1440931243 /nfs/dbraw/zinc/93/12/43/1440931243.db2.gz NHBMCGFQWGVONE-ZWKOTPCHSA-N 2 1 339.568 3.418 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001755894400 1440942213 /nfs/dbraw/zinc/94/22/13/1440942213.db2.gz RIBRHSVBRPKZSN-ROUUACIJSA-N 2 1 335.536 3.045 20 0 EGADMP Cc1cc2[nH]ccc2c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)[nH+]1 ZINC001164725882 720394381 /nfs/dbraw/zinc/39/43/81/720394381.db2.gz OBJSNXUNYOXVRL-MOPGFXCFSA-N 2 1 333.439 3.120 20 0 EGADMP Cc1cc2[nH]ccc2c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)[nH+]1 ZINC001164725885 720394651 /nfs/dbraw/zinc/39/46/51/720394651.db2.gz OBJSNXUNYOXVRL-RTBURBONSA-N 2 1 333.439 3.120 20 0 EGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000054241506 214226333 /nfs/dbraw/zinc/22/63/33/214226333.db2.gz AXQFBSJPAQKLSM-ZFWWWQNUSA-N 2 1 325.294 3.312 20 0 EGADMP C[NH+]1CCC([NH2+]Cc2ccc(Br)c3cccnc23)CC1 ZINC000166408201 530050555 /nfs/dbraw/zinc/05/05/55/530050555.db2.gz TWPPXOCTNIVMKX-UHFFFAOYSA-N 2 1 334.261 3.181 20 0 EGADMP C[N@@H+](CCOc1ccc(Cl)cc1Br)C1CC[NH2+]CC1 ZINC000036300826 201783543 /nfs/dbraw/zinc/78/35/43/201783543.db2.gz PLDOTHZHJJHHTH-UHFFFAOYSA-N 2 1 347.684 3.165 20 0 EGADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000187994037 236374910 /nfs/dbraw/zinc/37/49/10/236374910.db2.gz GCEKKLMIBNLNPS-HBMCJLEFSA-N 2 1 330.516 3.323 20 0 EGADMP COc1cc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)cc(OC)c1OC ZINC000192901126 201054206 /nfs/dbraw/zinc/05/42/06/201054206.db2.gz AQLWUKMISFXYRY-HNNXBMFYSA-N 2 1 336.476 3.239 20 0 EGADMP C[NH+](C)CC1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000042396330 201098666 /nfs/dbraw/zinc/09/86/66/201098666.db2.gz CHINQZOPWAMZFZ-UHFFFAOYSA-N 2 1 329.257 3.362 20 0 EGADMP C[C@H](CCNC(=O)C[C@@H]([NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000237456674 201149221 /nfs/dbraw/zinc/14/92/21/201149221.db2.gz WICURCQDJAYDAO-YLJYHZDGSA-N 2 1 339.483 3.103 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272209594 201248686 /nfs/dbraw/zinc/24/86/86/201248686.db2.gz PZCONSSUSVHLAL-WMZOPIPTSA-N 2 1 347.503 3.011 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)c1ccccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272464682 201249975 /nfs/dbraw/zinc/24/99/75/201249975.db2.gz KQIRMAZAHCNOFQ-CDXJDZJCSA-N 2 1 342.458 3.359 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000290284422 201342912 /nfs/dbraw/zinc/34/29/12/201342912.db2.gz XNCMBOBULCHZNY-HKUYNNGSSA-N 2 1 326.488 3.373 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000290284422 201342916 /nfs/dbraw/zinc/34/29/16/201342916.db2.gz XNCMBOBULCHZNY-HKUYNNGSSA-N 2 1 326.488 3.373 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292993295 201343102 /nfs/dbraw/zinc/34/31/02/201343102.db2.gz NBBBCGHUPXWRGT-YJBOKZPZSA-N 2 1 348.441 3.148 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292993295 201343105 /nfs/dbraw/zinc/34/31/05/201343105.db2.gz NBBBCGHUPXWRGT-YJBOKZPZSA-N 2 1 348.441 3.148 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000236830309 242374618 /nfs/dbraw/zinc/37/46/18/242374618.db2.gz ZRWDAPBWBVPEAA-JKSUJKDBSA-N 2 1 326.444 3.121 20 0 EGADMP CCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000236882898 242393596 /nfs/dbraw/zinc/39/35/96/242393596.db2.gz ASTNTJWFOJXBBY-IBGZPJMESA-N 2 1 331.504 3.195 20 0 EGADMP C[N@H+](CCC(=O)Nc1ccccc1Cl)CC[C@H]1CCCC[NH+]1C ZINC000075861411 203325539 /nfs/dbraw/zinc/32/55/39/203325539.db2.gz IWJOTWSVFVEYGS-OAHLLOKOSA-N 2 1 337.895 3.475 20 0 EGADMP C[NH+](CCC(=O)Nc1ccccc1Cl)CC[C@H]1CCCC[N@@H+]1C ZINC000075861411 203325540 /nfs/dbraw/zinc/32/55/40/203325540.db2.gz IWJOTWSVFVEYGS-OAHLLOKOSA-N 2 1 337.895 3.475 20 0 EGADMP C[NH+](CCC(=O)Nc1ccccc1Cl)CC[C@H]1CCCC[N@H+]1C ZINC000075861411 203325544 /nfs/dbraw/zinc/32/55/44/203325544.db2.gz IWJOTWSVFVEYGS-OAHLLOKOSA-N 2 1 337.895 3.475 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000104150133 204099160 /nfs/dbraw/zinc/09/91/60/204099160.db2.gz QCCUUQPIIVVATQ-SFHVURJKSA-N 2 1 347.528 3.048 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000105443240 204146234 /nfs/dbraw/zinc/14/62/34/204146234.db2.gz HZVWPBDPHNLTCG-OAHLLOKOSA-N 2 1 337.471 3.420 20 0 EGADMP COc1ccnc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000106860654 204215787 /nfs/dbraw/zinc/21/57/87/204215787.db2.gz YDBRTUFWYFDMKK-UHFFFAOYSA-N 2 1 339.483 3.434 20 0 EGADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000106485479 204199544 /nfs/dbraw/zinc/19/95/44/204199544.db2.gz CYHUXIPVEOLBQV-HNNXBMFYSA-N 2 1 347.890 3.326 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000125805115 205027800 /nfs/dbraw/zinc/02/78/00/205027800.db2.gz WUEDDZBMTUUWDE-OALUTQOASA-N 3 1 347.547 3.398 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000125805115 205027804 /nfs/dbraw/zinc/02/78/04/205027804.db2.gz WUEDDZBMTUUWDE-OALUTQOASA-N 2 1 347.547 3.398 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000125805115 205027807 /nfs/dbraw/zinc/02/78/07/205027807.db2.gz WUEDDZBMTUUWDE-OALUTQOASA-N 2 1 347.547 3.398 20 0 EGADMP C[NH+]1CCC([NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000125988183 205033818 /nfs/dbraw/zinc/03/38/18/205033818.db2.gz KLECDIOIEOPWSV-UHFFFAOYSA-N 2 1 341.430 3.262 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(F)c(F)c(F)c1 ZINC000132941108 205348323 /nfs/dbraw/zinc/34/83/23/205348323.db2.gz XLIJTZAGHPOSFL-OLZOCXBDSA-N 2 1 342.405 3.255 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnc3ccccc3c2)[C@H](C)C1 ZINC000265149789 247249341 /nfs/dbraw/zinc/24/93/41/247249341.db2.gz AZNSRGDFZAGAGC-YLJYHZDGSA-N 2 1 341.499 3.461 20 0 EGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378337843 169103136 /nfs/dbraw/zinc/10/31/36/169103136.db2.gz BBTLQMKYUOJACB-XLIONFOSSA-N 2 1 349.950 3.415 20 0 EGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378337843 169103137 /nfs/dbraw/zinc/10/31/37/169103137.db2.gz BBTLQMKYUOJACB-XLIONFOSSA-N 2 1 349.950 3.415 20 0 EGADMP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc12 ZINC000268841807 252288454 /nfs/dbraw/zinc/28/84/54/252288454.db2.gz NQACVPJNWYBWSU-INIZCTEOSA-N 2 1 342.483 3.346 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000268868670 252317099 /nfs/dbraw/zinc/31/70/99/252317099.db2.gz LBFXPVULDWSNIA-IAGOWNOFSA-N 2 1 342.487 3.015 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268852119 252300709 /nfs/dbraw/zinc/30/07/09/252300709.db2.gz HJJZAEKJNFSOMD-WIYYLYMNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268852119 252300711 /nfs/dbraw/zinc/30/07/11/252300711.db2.gz HJJZAEKJNFSOMD-WIYYLYMNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1CCC[C@@](C[NH2+]C2CCN(CC(F)(F)F)CC2)([NH+](C)C)C1 ZINC000237598188 296455085 /nfs/dbraw/zinc/45/50/85/296455085.db2.gz UVMNUIBZLJPXAV-GDBMZVCRSA-N 2 1 335.458 3.113 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC3CC[NH2+]CC3)cc2)C1 ZINC000237478339 141004483 /nfs/dbraw/zinc/00/44/83/141004483.db2.gz PYLJYVZPBAAGJP-MRXNPFEDSA-N 2 1 329.488 3.247 20 0 EGADMP C[C@H](CC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000237635418 141011301 /nfs/dbraw/zinc/01/13/01/141011301.db2.gz UHSWOKBPYSUVAI-MSOLQXFVSA-N 2 1 345.531 3.039 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cnn(Cc2ccccc2)c1 ZINC000246858289 141039896 /nfs/dbraw/zinc/03/98/96/141039896.db2.gz CJQXKJIKEBPTLQ-PWIZWCRZSA-N 2 1 326.488 3.455 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341177899 141131995 /nfs/dbraw/zinc/13/19/95/141131995.db2.gz ATTDYRALHAIHRZ-UHFFFAOYSA-N 2 1 331.504 3.331 20 0 EGADMP Cc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347918122 141216698 /nfs/dbraw/zinc/21/66/98/141216698.db2.gz AYFXDNOTBCTCDA-ZWKOTPCHSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347918122 141216700 /nfs/dbraw/zinc/21/67/00/141216700.db2.gz AYFXDNOTBCTCDA-ZWKOTPCHSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCN(C)CC(F)(F)F)cc1 ZINC000347997387 141230902 /nfs/dbraw/zinc/23/09/02/141230902.db2.gz DNFNGMSVUXVTTP-CYBMUJFWSA-N 2 1 340.393 3.325 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCC1([NH+](C)C)CCCCC1 ZINC000359592612 141381007 /nfs/dbraw/zinc/38/10/07/141381007.db2.gz NZZLYGDFALFPOE-AZUAARDMSA-N 2 1 344.547 3.146 20 0 EGADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000365457510 304319765 /nfs/dbraw/zinc/31/97/65/304319765.db2.gz CMIQNIMDVFJIBX-ICSRJNTNSA-N 2 1 347.547 3.118 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000178701264 144075186 /nfs/dbraw/zinc/07/51/86/144075186.db2.gz OQJYKTFEIDYEPH-ZWOKBUDYSA-N 3 1 332.536 3.460 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CC[N@H+]1C ZINC000344626908 144201676 /nfs/dbraw/zinc/20/16/76/144201676.db2.gz LOULHSFOQWMYJJ-SJLPKXTDSA-N 2 1 325.456 3.233 20 0 EGADMP C[N@@H+](C[C@@H](O)CN1CC=C(c2cccc3ccccc32)CC1)C1CC1 ZINC000351440954 144265236 /nfs/dbraw/zinc/26/52/36/144265236.db2.gz JCSMMQWMHTYMEO-HXUWFJFHSA-N 2 1 336.479 3.384 20 0 EGADMP CN(C[C@@H](O)C[N@H+]1CC=C(c2cccc3ccccc32)CC1)C1CC1 ZINC000351440954 144265238 /nfs/dbraw/zinc/26/52/38/144265238.db2.gz JCSMMQWMHTYMEO-HXUWFJFHSA-N 2 1 336.479 3.384 20 0 EGADMP CN(C[C@@H](O)C[N@@H+]1CC=C(c2cccc3ccccc32)CC1)C1CC1 ZINC000351440954 144265240 /nfs/dbraw/zinc/26/52/40/144265240.db2.gz JCSMMQWMHTYMEO-HXUWFJFHSA-N 2 1 336.479 3.384 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C[C@H]12 ZINC000351478914 144267372 /nfs/dbraw/zinc/26/73/72/144267372.db2.gz PWAPMIBTAAJSAE-YZGWKJHDSA-N 2 1 335.451 3.108 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1)C1CC1 ZINC000351572862 144282023 /nfs/dbraw/zinc/28/20/23/144282023.db2.gz GNSSEGOJVIKBDH-FCHUYYIVSA-N 2 1 338.495 3.405 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1)C1CC1 ZINC000351572862 144282025 /nfs/dbraw/zinc/28/20/25/144282025.db2.gz GNSSEGOJVIKBDH-FCHUYYIVSA-N 2 1 338.495 3.405 20 0 EGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000363779844 144365829 /nfs/dbraw/zinc/36/58/29/144365829.db2.gz FAUQRENQESAFCL-SOUVJXGZSA-N 2 1 340.414 3.110 20 0 EGADMP Clc1cccc(-c2n[nH]cc2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000364019845 144384767 /nfs/dbraw/zinc/38/47/67/144384767.db2.gz CSWZKGLJVHSDNU-DLBZAZTESA-N 2 1 330.863 3.447 20 0 EGADMP Clc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000364019845 144384769 /nfs/dbraw/zinc/38/47/69/144384769.db2.gz CSWZKGLJVHSDNU-DLBZAZTESA-N 2 1 330.863 3.447 20 0 EGADMP Clc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000364019845 144384771 /nfs/dbraw/zinc/38/47/71/144384771.db2.gz CSWZKGLJVHSDNU-DLBZAZTESA-N 2 1 330.863 3.447 20 0 EGADMP CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000120814966 152301837 /nfs/dbraw/zinc/30/18/37/152301837.db2.gz FFZVZPNGAXZFLM-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000121769414 152371418 /nfs/dbraw/zinc/37/14/18/152371418.db2.gz FSNJHLRUGZGGLJ-UHFFFAOYSA-N 2 1 341.484 3.326 20 0 EGADMP COc1ccc(C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C2CC2)cc1 ZINC000191389847 153193014 /nfs/dbraw/zinc/19/30/14/153193014.db2.gz MMSJYNONKLFPIE-UHFFFAOYSA-N 2 1 345.531 3.076 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000192080982 153240058 /nfs/dbraw/zinc/24/00/58/153240058.db2.gz LSCNFXPERUMPHK-UHFFFAOYSA-N 2 1 348.450 3.058 20 0 EGADMP C=Cn1cc(C[NH2+]CC2CC[NH+](Cc3csc(CC)n3)CC2)cn1 ZINC000194306378 153330694 /nfs/dbraw/zinc/33/06/94/153330694.db2.gz CRWFVFGUVZKIEL-UHFFFAOYSA-N 2 1 345.516 3.004 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CC(C)C)C12CCOCC2 ZINC000346614241 286390823 /nfs/dbraw/zinc/39/08/23/286390823.db2.gz NEFDWGDONHGKIP-CEXWTWQISA-N 2 1 338.536 3.061 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CC(C)C)C12CCOCC2 ZINC000346614241 286390824 /nfs/dbraw/zinc/39/08/24/286390824.db2.gz NEFDWGDONHGKIP-CEXWTWQISA-N 2 1 338.536 3.061 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(CO)c1 ZINC000305676048 154101136 /nfs/dbraw/zinc/10/11/36/154101136.db2.gz ZWYRRZASWURRCA-NQIIRXRSSA-N 2 1 338.495 3.394 20 0 EGADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000310103382 154139352 /nfs/dbraw/zinc/13/93/52/154139352.db2.gz YWUCPJIMLIOSSJ-ZACQAIPSSA-N 2 1 342.405 3.208 20 0 EGADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000310103380 154139599 /nfs/dbraw/zinc/13/95/99/154139599.db2.gz YWUCPJIMLIOSSJ-IKGGRYGDSA-N 2 1 342.405 3.208 20 0 EGADMP COC1(CC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000336663037 154208711 /nfs/dbraw/zinc/20/87/11/154208711.db2.gz WKOGOVLDENZAEC-VQTJNVASSA-N 2 1 328.500 3.400 20 0 EGADMP COC1(CC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000336663037 154208715 /nfs/dbraw/zinc/20/87/15/154208715.db2.gz WKOGOVLDENZAEC-VQTJNVASSA-N 2 1 328.500 3.400 20 0 EGADMP COC1(CC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000336663037 154208718 /nfs/dbraw/zinc/20/87/18/154208718.db2.gz WKOGOVLDENZAEC-VQTJNVASSA-N 2 1 328.500 3.400 20 0 EGADMP COc1ccc2oc([C@@H](C)[NH2+][C@@H](C)CN3CC[NH+](C)CC3)c(C)c2c1 ZINC000361219866 286438238 /nfs/dbraw/zinc/43/82/38/286438238.db2.gz HHGRPPZGVRYQBV-GOEBONIOSA-N 2 1 345.487 3.036 20 0 EGADMP [NH3+]CCCOC1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000346845157 156161288 /nfs/dbraw/zinc/16/12/88/156161288.db2.gz ZNAQCMCKFRLQKU-UHFFFAOYSA-N 2 1 334.357 3.174 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347016744 156249924 /nfs/dbraw/zinc/24/99/24/156249924.db2.gz KBYIFKLLAANZFV-CJNGLKHVSA-N 2 1 330.451 3.187 20 0 EGADMP C[N@@H+](Cc1cccc(OCc2ccccn2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347036944 156259281 /nfs/dbraw/zinc/25/92/81/156259281.db2.gz HLXFRZZNBGGLJY-UFRUDQCGSA-N 2 1 337.467 3.375 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(Cl)cs1 ZINC000349079121 156346167 /nfs/dbraw/zinc/34/61/67/156346167.db2.gz SDDWDRQEQVMXQB-OAHLLOKOSA-N 2 1 329.941 3.249 20 0 EGADMP C[NH+](C)Cc1cnc(CNC2CC[NH+](C3CCCCC3)CC2)s1 ZINC000352748759 156460755 /nfs/dbraw/zinc/46/07/55/156460755.db2.gz JRRCSZCIUAAHEY-UHFFFAOYSA-N 2 1 336.549 3.091 20 0 EGADMP CCCCCC[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365500685 157147490 /nfs/dbraw/zinc/14/74/90/157147490.db2.gz DEAIUMGBGAMLSS-PKOBYXMFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[C@H](C)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365500685 157147492 /nfs/dbraw/zinc/14/74/92/157147492.db2.gz DEAIUMGBGAMLSS-PKOBYXMFSA-N 2 1 337.552 3.220 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2C)c2ccccc2C1 ZINC000368595303 157234654 /nfs/dbraw/zinc/23/46/54/157234654.db2.gz YLGARJBFAMAGSJ-HXUWFJFHSA-N 2 1 340.471 3.055 20 0 EGADMP CN(Cc1ccc(Cl)cc1F)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372557164 157355034 /nfs/dbraw/zinc/35/50/34/157355034.db2.gz ZEDWJCVDPKQLBF-KRWDZBQOSA-N 2 1 339.886 3.079 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000114174861 162223950 /nfs/dbraw/zinc/22/39/50/162223950.db2.gz JPTXXKVUJKMCOI-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000114174861 162223953 /nfs/dbraw/zinc/22/39/53/162223953.db2.gz JPTXXKVUJKMCOI-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000123878647 162258095 /nfs/dbraw/zinc/25/80/95/162258095.db2.gz PPJHXOLNNGLQQJ-UYAOXDASSA-N 2 1 345.531 3.278 20 0 EGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000248503231 163010495 /nfs/dbraw/zinc/01/04/95/163010495.db2.gz URPZLXIUBFCVJM-IAGOWNOFSA-N 2 1 348.487 3.009 20 0 EGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000248503231 163010497 /nfs/dbraw/zinc/01/04/97/163010497.db2.gz URPZLXIUBFCVJM-IAGOWNOFSA-N 2 1 348.487 3.009 20 0 EGADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000305162869 163076072 /nfs/dbraw/zinc/07/60/72/163076072.db2.gz XNRDYLVJNNWDRX-SXLOBPIMSA-N 2 1 330.516 3.395 20 0 EGADMP CCO[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1(CC)CC ZINC000344163281 164117582 /nfs/dbraw/zinc/11/75/82/164117582.db2.gz HIKYDNFSCQJVEF-ROUUACIJSA-N 2 1 338.536 3.205 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+](CC)CC ZINC000347747345 164565901 /nfs/dbraw/zinc/56/59/01/164565901.db2.gz YTCRLORBLGOMBI-UYAOXDASSA-N 2 1 345.531 3.230 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC000350259433 165022670 /nfs/dbraw/zinc/02/26/70/165022670.db2.gz VOIUVLOIMRHHDD-ZBFHGGJFSA-N 2 1 326.431 3.459 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC000350259433 165022672 /nfs/dbraw/zinc/02/26/72/165022672.db2.gz VOIUVLOIMRHHDD-ZBFHGGJFSA-N 2 1 326.431 3.459 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000354989835 166081728 /nfs/dbraw/zinc/08/17/28/166081728.db2.gz JEBNCIBVRJGFKA-CALCHBBNSA-N 2 1 329.488 3.136 20 0 EGADMP CCCOc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000355207585 166133673 /nfs/dbraw/zinc/13/36/73/166133673.db2.gz OKOKQJULTVPOFP-DFQSSKMNSA-N 2 1 332.488 3.159 20 0 EGADMP CCCOc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000355207585 166133675 /nfs/dbraw/zinc/13/36/75/166133675.db2.gz OKOKQJULTVPOFP-DFQSSKMNSA-N 2 1 332.488 3.159 20 0 EGADMP COc1cc[nH+]c(N2CCN(CCSc3ccccc3F)CC2)c1 ZINC000355370884 166177517 /nfs/dbraw/zinc/17/75/17/166177517.db2.gz VPQVBVSYPOPVDP-UHFFFAOYSA-N 2 1 347.459 3.144 20 0 EGADMP [NH3+]CCC[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1ccccc1 ZINC000359277006 167113056 /nfs/dbraw/zinc/11/30/56/167113056.db2.gz DCYYTZYKWDFEEK-UHFFFAOYSA-N 2 1 336.439 3.130 20 0 EGADMP CC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000359582743 167199381 /nfs/dbraw/zinc/19/93/81/167199381.db2.gz GYAANXZNIUZLNX-CRAIPNDOSA-N 2 1 332.492 3.351 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000359582743 167199385 /nfs/dbraw/zinc/19/93/85/167199385.db2.gz GYAANXZNIUZLNX-CRAIPNDOSA-N 2 1 332.492 3.351 20 0 EGADMP O=C1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CN1c1ccccc1 ZINC000360376189 167314153 /nfs/dbraw/zinc/31/41/53/167314153.db2.gz IFZYYOLKTVIJLU-SFHVURJKSA-N 2 1 341.499 3.179 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000367058497 168174301 /nfs/dbraw/zinc/17/43/01/168174301.db2.gz ULBXMEXIIUFJMI-FPOVZHCZSA-N 2 1 344.547 3.115 20 0 EGADMP CCSc1cccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000368052706 168304694 /nfs/dbraw/zinc/30/46/94/168304694.db2.gz XWPDIZWUQONSDJ-LJQANCHMSA-N 2 1 347.572 3.399 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000174966622 265082767 /nfs/dbraw/zinc/08/27/67/265082767.db2.gz YFACICQQLCCNTB-INIZCTEOSA-N 2 1 344.455 3.383 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000174966622 265082770 /nfs/dbraw/zinc/08/27/70/265082770.db2.gz YFACICQQLCCNTB-INIZCTEOSA-N 2 1 344.455 3.383 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000174966622 265082772 /nfs/dbraw/zinc/08/27/72/265082772.db2.gz YFACICQQLCCNTB-INIZCTEOSA-N 2 1 344.455 3.383 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000174966622 265082775 /nfs/dbraw/zinc/08/27/75/265082775.db2.gz YFACICQQLCCNTB-INIZCTEOSA-N 2 1 344.455 3.383 20 0 EGADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000236948154 266220895 /nfs/dbraw/zinc/22/08/95/266220895.db2.gz AEIYQVNWPMRGTK-GJYPPUQNSA-N 2 1 331.504 3.051 20 0 EGADMP Cn1c2ccccc2nc1CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000269636983 266332595 /nfs/dbraw/zinc/33/25/95/266332595.db2.gz IZBGGMXXTJYEHY-VQIMIIECSA-N 2 1 338.499 3.065 20 0 EGADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000269636983 266332600 /nfs/dbraw/zinc/33/26/00/266332600.db2.gz IZBGGMXXTJYEHY-VQIMIIECSA-N 2 1 338.499 3.065 20 0 EGADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269636983 266332604 /nfs/dbraw/zinc/33/26/04/266332604.db2.gz IZBGGMXXTJYEHY-VQIMIIECSA-N 2 1 338.499 3.065 20 0 EGADMP C[C@@H]([NH2+]CCc1nc2ccccc2n1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273318840 267018956 /nfs/dbraw/zinc/01/89/56/267018956.db2.gz WDUIYBSHNAYGRC-IAGOWNOFSA-N 2 1 340.515 3.358 20 0 EGADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)o1 ZINC000274860311 267298082 /nfs/dbraw/zinc/29/80/82/267298082.db2.gz RXJNDDJNNCMMNT-UHFFFAOYSA-N 2 1 340.423 3.085 20 0 EGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278460914 268018676 /nfs/dbraw/zinc/01/86/76/268018676.db2.gz JCMPRIULDNIWBT-UZLBHIALSA-N 2 1 332.488 3.163 20 0 EGADMP C[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000278485640 268023797 /nfs/dbraw/zinc/02/37/97/268023797.db2.gz BAMZWUSRXSLSIF-GFOJFJKKSA-N 2 1 330.516 3.285 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000265027231 274286278 /nfs/dbraw/zinc/28/62/78/274286278.db2.gz HVUQKOYTSFQFJK-HLIPFELVSA-N 2 1 334.479 3.446 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000265027231 274286280 /nfs/dbraw/zinc/28/62/80/274286280.db2.gz HVUQKOYTSFQFJK-HLIPFELVSA-N 2 1 334.479 3.446 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000265027231 274286281 /nfs/dbraw/zinc/28/62/81/274286281.db2.gz HVUQKOYTSFQFJK-HLIPFELVSA-N 2 1 334.479 3.446 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000265027231 274286283 /nfs/dbraw/zinc/28/62/83/274286283.db2.gz HVUQKOYTSFQFJK-HLIPFELVSA-N 2 1 334.479 3.446 20 0 EGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000106388564 275168625 /nfs/dbraw/zinc/16/86/25/275168625.db2.gz SXQVEVBPWAGWLP-LJQANCHMSA-N 2 1 348.531 3.140 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000106388564 275168627 /nfs/dbraw/zinc/16/86/27/275168627.db2.gz SXQVEVBPWAGWLP-LJQANCHMSA-N 2 1 348.531 3.140 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCNc2cccc(Br)c2)[C@H](C)C1 ZINC000181357460 275206354 /nfs/dbraw/zinc/20/63/54/275206354.db2.gz WJPVEGQXCUASKP-CJNGLKHVSA-N 2 1 340.309 3.181 20 0 EGADMP C[C@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000262670740 275233007 /nfs/dbraw/zinc/23/30/07/275233007.db2.gz RLIXJPPIPBIJLG-ZIFCJYIRSA-N 2 1 331.504 3.093 20 0 EGADMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OC(F)F ZINC000275013155 275249369 /nfs/dbraw/zinc/24/93/69/275249369.db2.gz KFLVWGQVUPRVJO-TZMCWYRMSA-N 2 1 328.403 3.069 20 0 EGADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OC(F)F ZINC000275013155 275249371 /nfs/dbraw/zinc/24/93/71/275249371.db2.gz KFLVWGQVUPRVJO-TZMCWYRMSA-N 2 1 328.403 3.069 20 0 EGADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC(F)F ZINC000275013155 275249373 /nfs/dbraw/zinc/24/93/73/275249373.db2.gz KFLVWGQVUPRVJO-TZMCWYRMSA-N 2 1 328.403 3.069 20 0 EGADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC(F)F ZINC000275013155 275249375 /nfs/dbraw/zinc/24/93/75/275249375.db2.gz KFLVWGQVUPRVJO-TZMCWYRMSA-N 2 1 328.403 3.069 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)cn1 ZINC000282199049 275610791 /nfs/dbraw/zinc/61/07/91/275610791.db2.gz NVQDBJAEXYURDE-QGZVFWFLSA-N 2 1 326.444 3.015 20 0 EGADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000287259710 276101921 /nfs/dbraw/zinc/10/19/21/276101921.db2.gz CAFCRKDNNGIAKG-BVJIBDCISA-N 2 1 328.500 3.159 20 0 EGADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCCC[N@H+]2CC)c1 ZINC000104146652 276110194 /nfs/dbraw/zinc/11/01/94/276110194.db2.gz MXFIKOVIRRUPMJ-LJQANCHMSA-N 2 1 331.504 3.019 20 0 EGADMP C[C@@H]1COCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000287351028 276110943 /nfs/dbraw/zinc/11/09/43/276110943.db2.gz GUQBWJDZXXOFQU-AEFFLSMTSA-N 2 1 334.479 3.095 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000343544715 276201661 /nfs/dbraw/zinc/20/16/61/276201661.db2.gz YMHWXSQGKLFDMF-PKOBYXMFSA-N 2 1 333.907 3.039 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(O)c1OC ZINC000289188005 276302035 /nfs/dbraw/zinc/30/20/35/276302035.db2.gz BCXVFMFBNCHYKP-UHFFFAOYSA-N 2 1 328.456 3.485 20 0 EGADMP CC[N@H+](Cc1cnc([C@H](C)O)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289414502 276335373 /nfs/dbraw/zinc/33/53/73/276335373.db2.gz IGKKKDOJWGDCSM-AWEZNQCLSA-N 2 1 333.501 3.280 20 0 EGADMP CC[N@@H+](Cc1cnc([C@H](C)O)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289414502 276335374 /nfs/dbraw/zinc/33/53/74/276335374.db2.gz IGKKKDOJWGDCSM-AWEZNQCLSA-N 2 1 333.501 3.280 20 0 EGADMP CCO[C@@H]1COCC[C@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000353670939 276341213 /nfs/dbraw/zinc/34/12/13/276341213.db2.gz BRRNKEYHMFJILO-TZWRJOPASA-N 2 1 346.515 3.213 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC3(CCCCC3)CC2)CC1 ZINC000346671744 276359532 /nfs/dbraw/zinc/35/95/32/276359532.db2.gz VHGHDWVFRQFNCS-UHFFFAOYSA-N 2 1 335.536 3.023 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000104137010 276365402 /nfs/dbraw/zinc/36/54/02/276365402.db2.gz QCOGNYQFPNPGBZ-FQEVSTJZSA-N 2 1 343.515 3.163 20 0 EGADMP COCCOCc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000289713952 276382173 /nfs/dbraw/zinc/38/21/73/276382173.db2.gz LJNJUGKKFXDEMZ-UHFFFAOYSA-N 2 1 334.504 3.060 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000269132834 277287336 /nfs/dbraw/zinc/28/73/36/277287336.db2.gz MQBAMVLMEVNKRK-HXUWFJFHSA-N 2 1 337.467 3.399 20 0 EGADMP CC(C)CN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000370089749 277373408 /nfs/dbraw/zinc/37/34/08/277373408.db2.gz NWNXSFAPPDIWDQ-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000350331356 279109969 /nfs/dbraw/zinc/10/99/69/279109969.db2.gz QIZGORMAUBKJBN-LSDHHAIUSA-N 2 1 326.431 3.459 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000350331356 279109971 /nfs/dbraw/zinc/10/99/71/279109971.db2.gz QIZGORMAUBKJBN-LSDHHAIUSA-N 2 1 326.431 3.459 20 0 EGADMP CC[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000268514449 279212292 /nfs/dbraw/zinc/21/22/92/279212292.db2.gz DBYZYGSBLJCUSE-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000268514449 279212296 /nfs/dbraw/zinc/21/22/96/279212296.db2.gz DBYZYGSBLJCUSE-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000268514449 279212299 /nfs/dbraw/zinc/21/22/99/279212299.db2.gz DBYZYGSBLJCUSE-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP CC[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000268514449 279212301 /nfs/dbraw/zinc/21/23/01/279212301.db2.gz DBYZYGSBLJCUSE-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000365457493 280129587 /nfs/dbraw/zinc/12/95/87/280129587.db2.gz CMIQNIMDVFJIBX-AZUAARDMSA-N 2 1 347.547 3.118 20 0 EGADMP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261605022 290216010 /nfs/dbraw/zinc/21/60/10/290216010.db2.gz CSVUPHKXXPFNQT-OCCSQVGLSA-N 2 1 328.287 3.034 20 0 EGADMP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261605022 290216013 /nfs/dbraw/zinc/21/60/13/290216013.db2.gz CSVUPHKXXPFNQT-OCCSQVGLSA-N 2 1 328.287 3.034 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000413710690 309044419 /nfs/dbraw/zinc/04/44/19/309044419.db2.gz IJDJVZTVEIGNGN-FQEVSTJZSA-N 2 1 343.515 3.275 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC(CC)CC)CC1 ZINC000066960699 307364026 /nfs/dbraw/zinc/36/40/26/307364026.db2.gz SBJZWJHSDPJYDV-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1ccc(Cl)cc1 ZINC000072718558 307381683 /nfs/dbraw/zinc/38/16/83/307381683.db2.gz HDKKZTNOQYZYLN-MRXNPFEDSA-N 2 1 349.906 3.476 20 0 EGADMP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000414133929 309062898 /nfs/dbraw/zinc/06/28/98/309062898.db2.gz BVCKWQFEPOPGAQ-WRTQPQOASA-N 2 1 328.500 3.180 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1ccncc1 ZINC000414259985 309069104 /nfs/dbraw/zinc/06/91/04/309069104.db2.gz HAKAQUPMJKNTRE-IOMROCGXSA-N 2 1 339.483 3.269 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1ccncc1 ZINC000414259985 309069105 /nfs/dbraw/zinc/06/91/05/309069105.db2.gz HAKAQUPMJKNTRE-IOMROCGXSA-N 2 1 339.483 3.269 20 0 EGADMP Cc1ccc(C[NH+]2CCCC2)cc1NCc1c[nH+]c(N(C)C)n1C ZINC000414360298 309075143 /nfs/dbraw/zinc/07/51/43/309075143.db2.gz MSFAYAYUDAPYES-UHFFFAOYSA-N 2 1 327.476 3.002 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCOCC(F)(F)F ZINC000248394398 308001685 /nfs/dbraw/zinc/00/16/85/308001685.db2.gz HUSWDHZYBSSCSE-QLPKVWCKSA-N 2 1 344.421 3.312 20 0 EGADMP CC[C@]1(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CCC[NH2+]1 ZINC000248759248 308011181 /nfs/dbraw/zinc/01/11/81/308011181.db2.gz VTFGHLJZDUHNRW-DYESRHJHSA-N 2 1 343.515 3.067 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(O)c1 ZINC000249550737 308025972 /nfs/dbraw/zinc/02/59/72/308025972.db2.gz KYNHFDLNZNHZHL-DLBZAZTESA-N 2 1 340.467 3.464 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(O)c1 ZINC000249550737 308025974 /nfs/dbraw/zinc/02/59/74/308025974.db2.gz KYNHFDLNZNHZHL-DLBZAZTESA-N 2 1 340.467 3.464 20 0 EGADMP CCOc1c(Cl)cc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000292893906 308077310 /nfs/dbraw/zinc/07/73/10/308077310.db2.gz ZHAOIVHJRNERCZ-SFHVURJKSA-N 2 1 338.879 3.275 20 0 EGADMP Cc1sccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000293143809 308103647 /nfs/dbraw/zinc/10/36/47/308103647.db2.gz DCZNZWJASGOTJS-IBGZPJMESA-N 2 1 330.497 3.303 20 0 EGADMP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000293366589 308124190 /nfs/dbraw/zinc/12/41/90/308124190.db2.gz HRKNDTZCARGISP-FCEWJHQRSA-N 2 1 343.446 3.342 20 0 EGADMP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000293366602 308124310 /nfs/dbraw/zinc/12/43/10/308124310.db2.gz HRKNDTZCARGISP-MDZRGWNJSA-N 2 1 343.446 3.342 20 0 EGADMP C[N@H+]1CCC[C@]2(CCN(Cc3ccc4c(c3)COC(C)(C)O4)C2)C1 ZINC000293710702 308154859 /nfs/dbraw/zinc/15/48/59/308154859.db2.gz SJMGHLJUNCTKBB-FQEVSTJZSA-N 2 1 330.472 3.249 20 0 EGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc4c(c3)COC(C)(C)O4)C2)C1 ZINC000293710702 308154861 /nfs/dbraw/zinc/15/48/61/308154861.db2.gz SJMGHLJUNCTKBB-FQEVSTJZSA-N 2 1 330.472 3.249 20 0 EGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc4c(c3)COC(C)(C)O4)C2)C1 ZINC000293710702 308154863 /nfs/dbraw/zinc/15/48/63/308154863.db2.gz SJMGHLJUNCTKBB-FQEVSTJZSA-N 2 1 330.472 3.249 20 0 EGADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(C(=O)OC)cc1 ZINC000293767197 308159912 /nfs/dbraw/zinc/15/99/12/308159912.db2.gz PIPMHAOOWKFSMF-KDOFPFPSSA-N 2 1 329.444 3.355 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)C1 ZINC000293799044 308162687 /nfs/dbraw/zinc/16/26/87/308162687.db2.gz RCWLUBSAZQDTOU-DLBZAZTESA-N 2 1 345.487 3.416 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000293820227 308165249 /nfs/dbraw/zinc/16/52/49/308165249.db2.gz BHKZBQIRGJBARG-OAQYLSRUSA-N 2 1 343.515 3.086 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C)cn1 ZINC000414534088 309086954 /nfs/dbraw/zinc/08/69/54/309086954.db2.gz WJWKKXZIJXXEHN-TZIWHRDSSA-N 2 1 339.483 3.017 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C)cn1 ZINC000414534088 309086955 /nfs/dbraw/zinc/08/69/55/309086955.db2.gz WJWKKXZIJXXEHN-TZIWHRDSSA-N 2 1 339.483 3.017 20 0 EGADMP Cc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1F ZINC000294928533 308272479 /nfs/dbraw/zinc/27/24/79/308272479.db2.gz BWQUOLHQLZHCCQ-FQEVSTJZSA-N 2 1 342.458 3.381 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c2nccn21 ZINC000295236873 308306167 /nfs/dbraw/zinc/30/61/67/308306167.db2.gz ONCQKMFZBJRMSG-CRAIPNDOSA-N 2 1 328.460 3.009 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC[C@H]1[NH3+] ZINC000414661823 309094427 /nfs/dbraw/zinc/09/44/27/309094427.db2.gz QGNVDTLMMYZBOP-CRAIPNDOSA-N 2 1 339.487 3.229 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC[C@H]1[NH3+] ZINC000414661823 309094428 /nfs/dbraw/zinc/09/44/28/309094428.db2.gz QGNVDTLMMYZBOP-CRAIPNDOSA-N 2 1 339.487 3.229 20 0 EGADMP CCC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](CC)c1ccccc1 ZINC000414673180 309094804 /nfs/dbraw/zinc/09/48/04/309094804.db2.gz IPPWLZDSRHAYKM-MJGOQNOKSA-N 2 1 331.504 3.047 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](CC(C)C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414695726 309095738 /nfs/dbraw/zinc/09/57/38/309095738.db2.gz OPSGYTJEIFDPBR-QUCCMNQESA-N 2 1 345.531 3.293 20 0 EGADMP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414775216 309100070 /nfs/dbraw/zinc/10/00/70/309100070.db2.gz GHMGZVALZGPIGI-HUUCEWRRSA-N 2 1 328.435 3.037 20 0 EGADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)c2)nc1 ZINC000414775190 309100151 /nfs/dbraw/zinc/10/01/51/309100151.db2.gz ZPDOALVGVWWYQG-KDURUIRLSA-N 2 1 337.467 3.092 20 0 EGADMP Fc1ccc(Br)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414776699 309100232 /nfs/dbraw/zinc/10/02/32/309100232.db2.gz HLFXLZKIESYOEK-STQMWFEESA-N 2 1 341.268 3.410 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OC(F)F ZINC000414778973 309100372 /nfs/dbraw/zinc/10/03/72/309100372.db2.gz JVGQGQLSELDEMT-HUUCEWRRSA-N 2 1 340.414 3.118 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000414779423 309100536 /nfs/dbraw/zinc/10/05/36/309100536.db2.gz KBCOZQQIJYDXKM-CABCVRRESA-N 2 1 338.879 3.179 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414782242 309100727 /nfs/dbraw/zinc/10/07/27/309100727.db2.gz OBSKKYWRJXPDMP-ZWKOTPCHSA-N 2 1 332.488 3.306 20 0 EGADMP Cc1nn2c(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c(C(C)C)nc2s1 ZINC000414789228 309101526 /nfs/dbraw/zinc/10/15/26/309101526.db2.gz YDNBXEGCIGWQNY-CABCVRRESA-N 2 1 347.532 3.044 20 0 EGADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1OC(F)F ZINC000414831655 309104422 /nfs/dbraw/zinc/10/44/22/309104422.db2.gz CUOHSRXUJMVQMA-AWEZNQCLSA-N 2 1 328.403 3.294 20 0 EGADMP CC1CC[NH+](C[C@H](O)CNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000301550446 308704798 /nfs/dbraw/zinc/70/47/98/308704798.db2.gz QLLFIRZIZUMVGR-OAHLLOKOSA-N 2 1 333.863 3.393 20 0 EGADMP CC1CC[NH+]([C@@H](CNc2cc[nH+]cc2C(N)=O)c2ccccc2)CC1 ZINC000302241574 308734847 /nfs/dbraw/zinc/73/48/47/308734847.db2.gz XZQIJGKFYKPAML-IBGZPJMESA-N 2 1 338.455 3.066 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000305147348 308758588 /nfs/dbraw/zinc/75/85/88/308758588.db2.gz JQGQTCMLTRKFFZ-WBVHZDCISA-N 2 1 339.524 3.238 20 0 EGADMP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccc(F)cn1 ZINC000332474249 308838200 /nfs/dbraw/zinc/83/82/00/308838200.db2.gz NEFSKPPBXMEVAM-KRWDZBQOSA-N 2 1 343.450 3.337 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)c(F)c1 ZINC000412556888 308991112 /nfs/dbraw/zinc/99/11/12/308991112.db2.gz GQBCIDJYPKSALL-GOSISDBHSA-N 2 1 329.419 3.129 20 0 EGADMP COc1cc2[nH+]ccc(N3CCC4(CCC[N@H+]4C)CC3)c2cc1OC ZINC000413218718 309022103 /nfs/dbraw/zinc/02/21/03/309022103.db2.gz JRXAWXNBLJSDGS-UHFFFAOYSA-N 2 1 341.455 3.317 20 0 EGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C[C@H](C)CC2CCOCC2)cc1 ZINC000414889897 309107599 /nfs/dbraw/zinc/10/75/99/309107599.db2.gz SXTPOKYUEAQOIW-TYCQWZJGSA-N 2 1 346.515 3.183 20 0 EGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@H](C)CC2CCOCC2)cc1 ZINC000414889887 309107637 /nfs/dbraw/zinc/10/76/37/309107637.db2.gz SXTPOKYUEAQOIW-CZAAIQMYSA-N 2 1 346.515 3.183 20 0 EGADMP CSc1cc(Br)ccc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414947984 309110689 /nfs/dbraw/zinc/11/06/89/309110689.db2.gz LPPSTWBMPXYGME-ZWNOBZJWSA-N 2 1 329.307 3.401 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[NH2+]1 ZINC000414948559 309110837 /nfs/dbraw/zinc/11/08/37/309110837.db2.gz MHZOHEXBCDKMDN-DOTOQJQBSA-N 2 1 326.488 3.400 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000414951836 309111045 /nfs/dbraw/zinc/11/10/45/309111045.db2.gz HLDZOSYLWFJFAI-ZNLUXHQJSA-N 2 1 335.495 3.299 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414956329 309111233 /nfs/dbraw/zinc/11/12/33/309111233.db2.gz VFXYJDGJAHHGLY-UGSOOPFHSA-N 2 1 346.906 3.432 20 0 EGADMP Cc1cc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)sc1Br ZINC000415012450 309114257 /nfs/dbraw/zinc/11/42/57/309114257.db2.gz XHAFKDWXCJBFCA-SECBINFHSA-N 2 1 339.249 3.153 20 0 EGADMP COc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1Br ZINC000415038682 309115838 /nfs/dbraw/zinc/11/58/38/309115838.db2.gz IFAYRMJRALPRBX-CQSZACIVSA-N 2 1 327.266 3.065 20 0 EGADMP Cc1ccc(COc2ccc(C[N@@H+]3CCCO[C@@H](C[NH3+])C3)cc2)cc1 ZINC000415109961 309120985 /nfs/dbraw/zinc/12/09/85/309120985.db2.gz OJUBIVKHZDXZSY-NRFANRHFSA-N 2 1 340.467 3.124 20 0 EGADMP Cc1ccc(COc2ccc(C[N@H+]3CCCO[C@@H](C[NH3+])C3)cc2)cc1 ZINC000415109961 309120986 /nfs/dbraw/zinc/12/09/86/309120986.db2.gz OJUBIVKHZDXZSY-NRFANRHFSA-N 2 1 340.467 3.124 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C[C@@H]1C[NH3+] ZINC000415126843 309122331 /nfs/dbraw/zinc/12/23/31/309122331.db2.gz MLOGIUKKJCJGGX-LPHOPBHVSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000415129287 309122478 /nfs/dbraw/zinc/12/24/78/309122478.db2.gz PDVWGSMWFQTIRO-WCQYABFASA-N 2 1 334.357 3.184 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000415129287 309122479 /nfs/dbraw/zinc/12/24/79/309122479.db2.gz PDVWGSMWFQTIRO-WCQYABFASA-N 2 1 334.357 3.184 20 0 EGADMP CCC[C@@H](C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000415133467 309122825 /nfs/dbraw/zinc/12/28/25/309122825.db2.gz CHEVCIFBBNVANB-ZCNNSNEGSA-N 2 1 328.500 3.271 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417710819 309219196 /nfs/dbraw/zinc/21/91/96/309219196.db2.gz XVPFXSATSARSAU-MOPGFXCFSA-N 2 1 346.519 3.030 20 0 EGADMP COCC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)c1ccccc1 ZINC000420295496 309279823 /nfs/dbraw/zinc/27/98/23/309279823.db2.gz ARPOQMTXZYUWNR-XLIONFOSSA-N 2 1 342.483 3.447 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420303277 309280534 /nfs/dbraw/zinc/28/05/34/309280534.db2.gz CPVRKCOZWOGWDS-QGZVFWFLSA-N 2 1 325.456 3.221 20 0 EGADMP c1ccc(COc2cncc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)c2)cc1 ZINC000420306102 309280740 /nfs/dbraw/zinc/28/07/40/309280740.db2.gz KSPTUNKPKXYGKA-UHFFFAOYSA-N 2 1 337.467 3.236 20 0 EGADMP CC[N@@H+](CCOc1cccc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000420313106 309281327 /nfs/dbraw/zinc/28/13/27/309281327.db2.gz PBIVEVKXHOUNEE-HNNXBMFYSA-N 2 1 341.293 3.292 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420319831 309281756 /nfs/dbraw/zinc/28/17/56/309281756.db2.gz AOXWBYXGWWXYEI-DLBZAZTESA-N 2 1 341.455 3.172 20 0 EGADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccccc1-c1ccccc1 ZINC000420325819 309282404 /nfs/dbraw/zinc/28/24/04/309282404.db2.gz BVJRUVVIDQLOIO-KDURUIRLSA-N 2 1 349.478 3.224 20 0 EGADMP CCc1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420339503 309283146 /nfs/dbraw/zinc/28/31/46/309283146.db2.gz LWLPNBSWVKUKHM-QZTJIDSGSA-N 2 1 340.471 3.121 20 0 EGADMP Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CCC4CC[NH2+]CC4)C3)nc2c1 ZINC000420363034 309284289 /nfs/dbraw/zinc/28/42/89/309284289.db2.gz OUCBGZDXPZQXLP-KRWDZBQOSA-N 2 1 326.488 3.440 20 0 EGADMP Cc1ccc2nc([C@H]3CCC[N@H+](CCC4CC[NH2+]CC4)C3)[nH]c2c1 ZINC000420363034 309284290 /nfs/dbraw/zinc/28/42/90/309284290.db2.gz OUCBGZDXPZQXLP-KRWDZBQOSA-N 2 1 326.488 3.440 20 0 EGADMP Cc1ccc2nc([C@H]3CCC[N@@H+](CCC4CC[NH2+]CC4)C3)[nH]c2c1 ZINC000420363034 309284291 /nfs/dbraw/zinc/28/42/91/309284291.db2.gz OUCBGZDXPZQXLP-KRWDZBQOSA-N 2 1 326.488 3.440 20 0 EGADMP [NH3+]C[C@H]([NH2+]CCOc1ccc(Br)cc1)C1CCCCC1 ZINC000420369523 309284678 /nfs/dbraw/zinc/28/46/78/309284678.db2.gz XQYUSOIWXLBYGY-INIZCTEOSA-N 2 1 341.293 3.325 20 0 EGADMP FC(F)(F)c1ccc([C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420372136 309284911 /nfs/dbraw/zinc/28/49/11/309284911.db2.gz LDKBVKGXGXWUNR-CZUORRHYSA-N 2 1 328.378 3.078 20 0 EGADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420376458 309285194 /nfs/dbraw/zinc/28/51/94/309285194.db2.gz JWAQIIGRCVHLQQ-YWZLYKJASA-N 2 1 335.455 3.288 20 0 EGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)C1 ZINC000420398523 309286258 /nfs/dbraw/zinc/28/62/58/309286258.db2.gz YYDMIEDJKFJDCU-WBVHZDCISA-N 2 1 347.484 3.121 20 0 EGADMP c1cc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)ccc1C[NH+]1CCOCC1 ZINC000420919254 309300872 /nfs/dbraw/zinc/30/08/72/309300872.db2.gz YQTHDSUAMARFDC-UXHICEINSA-N 2 1 346.540 3.379 20 0 EGADMP c1cc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)ccc1C[NH+]1CCOCC1 ZINC000420919254 309300873 /nfs/dbraw/zinc/30/08/73/309300873.db2.gz YQTHDSUAMARFDC-UXHICEINSA-N 2 1 346.540 3.379 20 0 EGADMP COCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC[C@@H](C)C1 ZINC000420916130 309300946 /nfs/dbraw/zinc/30/09/46/309300946.db2.gz GOFVDLCXWOMUQY-WIYYLYMNSA-N 2 1 346.515 3.156 20 0 EGADMP COCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC[C@@H](C)C1 ZINC000420916130 309300947 /nfs/dbraw/zinc/30/09/47/309300947.db2.gz GOFVDLCXWOMUQY-WIYYLYMNSA-N 2 1 346.515 3.156 20 0 EGADMP COCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCC[C@@H]1C ZINC000420927484 309301600 /nfs/dbraw/zinc/30/16/00/309301600.db2.gz ZNNVKEYRWAZTQH-GHTZIAJQSA-N 2 1 346.515 3.156 20 0 EGADMP COCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCC[C@@H]1C ZINC000420927484 309301601 /nfs/dbraw/zinc/30/16/01/309301601.db2.gz ZNNVKEYRWAZTQH-GHTZIAJQSA-N 2 1 346.515 3.156 20 0 EGADMP c1cncc([C@@H]2CCC[N@@H+]2Cc2cccc(CN3CCOCC3)c2)c1 ZINC000420933343 309302200 /nfs/dbraw/zinc/30/22/00/309302200.db2.gz ICGZBYOYQVRLTI-NRFANRHFSA-N 2 1 337.467 3.251 20 0 EGADMP CS[C@@H]1CCCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420939432 309302901 /nfs/dbraw/zinc/30/29/01/309302901.db2.gz QDZZSXMKBRVRJH-LJQANCHMSA-N 2 1 334.529 3.236 20 0 EGADMP CS[C@@H]1CCCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420939432 309302902 /nfs/dbraw/zinc/30/29/02/309302902.db2.gz QDZZSXMKBRVRJH-LJQANCHMSA-N 2 1 334.529 3.236 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CCc3cccnc3CC1)C2 ZINC000421819601 309341311 /nfs/dbraw/zinc/34/13/11/309341311.db2.gz HYNFVCIPEYPULM-NRFANRHFSA-N 2 1 335.495 3.367 20 0 EGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CCc3cccnc3CC1)C2 ZINC000421819601 309341312 /nfs/dbraw/zinc/34/13/12/309341312.db2.gz HYNFVCIPEYPULM-NRFANRHFSA-N 2 1 335.495 3.367 20 0 EGADMP COC1([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CCCCC1 ZINC000421844508 309342957 /nfs/dbraw/zinc/34/29/57/309342957.db2.gz UDKYKWYZNYIZQG-YLJYHZDGSA-N 2 1 346.515 3.081 20 0 EGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000423259971 309392827 /nfs/dbraw/zinc/39/28/27/309392827.db2.gz GHYFRTXFKLTQGX-RISCZKNCSA-N 2 1 331.273 3.482 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@@H]1C[NH3+] ZINC000422563680 309361858 /nfs/dbraw/zinc/36/18/58/309361858.db2.gz UGVSVCPYCBWWJA-NDUPCHFUSA-N 2 1 332.488 3.050 20 0 EGADMP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1Br ZINC000423270833 309393420 /nfs/dbraw/zinc/39/34/20/309393420.db2.gz WZXHMZXOWHPKDI-YPMHNXCESA-N 2 1 329.282 3.482 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422713382 309364380 /nfs/dbraw/zinc/36/43/80/309364380.db2.gz JORIZGJVZNTIEK-BAGYTPMASA-N 2 1 343.559 3.451 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422713382 309364381 /nfs/dbraw/zinc/36/43/81/309364381.db2.gz JORIZGJVZNTIEK-BAGYTPMASA-N 3 1 343.559 3.451 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422713382 309364382 /nfs/dbraw/zinc/36/43/82/309364382.db2.gz JORIZGJVZNTIEK-BAGYTPMASA-N 3 1 343.559 3.451 20 0 EGADMP COc1ccccc1[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])[NH+]1CCCCC1 ZINC000422719153 309364919 /nfs/dbraw/zinc/36/49/19/309364919.db2.gz XQISEMJRPPHEHM-IHPCNDPISA-N 2 1 345.531 3.329 20 0 EGADMP COc1ccccc1[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCCCC1 ZINC000422719154 309365003 /nfs/dbraw/zinc/36/50/03/309365003.db2.gz XQISEMJRPPHEHM-RLLQIKCJSA-N 2 1 345.531 3.329 20 0 EGADMP CC[C@@H](C(=O)Nc1ccccc1C[NH2+]C)[N@@H+](C)Cc1ccccc1 ZINC000422729410 309365562 /nfs/dbraw/zinc/36/55/62/309365562.db2.gz BQTHLSVZUDMIKM-IBGZPJMESA-N 2 1 325.456 3.255 20 0 EGADMP CC1CCN([C@H](C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c2ccccc2)CC1 ZINC000422731370 309365697 /nfs/dbraw/zinc/36/56/97/309365697.db2.gz GXXXUBMDWDLTHX-HLAWJBBLSA-N 2 1 329.532 3.437 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 ZINC000422757115 309366885 /nfs/dbraw/zinc/36/68/85/309366885.db2.gz JMMLDVWSMBBLAD-JYJNAYRXSA-N 2 1 332.536 3.256 20 0 EGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422827420 309370600 /nfs/dbraw/zinc/37/06/00/309370600.db2.gz DPSYTQZMBCTMLK-OALUTQOASA-N 2 1 326.488 3.123 20 0 EGADMP COc1ccc([C@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422857033 309372163 /nfs/dbraw/zinc/37/21/63/309372163.db2.gz GMLWCMVAZGYVGU-QMMLZNLJSA-N 2 1 343.515 3.095 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422882948 309373860 /nfs/dbraw/zinc/37/38/60/309373860.db2.gz PQUXZBBZCVXFCX-JTJHWIPRSA-N 3 1 331.548 3.293 20 0 EGADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422882948 309373861 /nfs/dbraw/zinc/37/38/61/309373861.db2.gz PQUXZBBZCVXFCX-JTJHWIPRSA-N 2 1 331.548 3.293 20 0 EGADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422882948 309373862 /nfs/dbraw/zinc/37/38/62/309373862.db2.gz PQUXZBBZCVXFCX-JTJHWIPRSA-N 2 1 331.548 3.293 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884092 309373999 /nfs/dbraw/zinc/37/39/99/309373999.db2.gz RSDYMNMXGFPVGC-IXDOHACOSA-N 3 1 332.536 3.257 20 0 EGADMP C[C@H](C[C@@H]1COCC[NH2+]1)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422917030 309376098 /nfs/dbraw/zinc/37/60/98/309376098.db2.gz FHTOMIIYDGBDQG-FUHIMQAGSA-N 2 1 331.504 3.240 20 0 EGADMP c1cnc(OC2CCCC2)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422969198 309379029 /nfs/dbraw/zinc/37/90/29/309379029.db2.gz ZBWWOGVVJMIIPK-GBESFXJTSA-N 2 1 329.488 3.413 20 0 EGADMP COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c2ccccc2n1 ZINC000423003593 309380368 /nfs/dbraw/zinc/38/03/68/309380368.db2.gz IBVZNCOGEXFODO-YWZLYKJASA-N 2 1 335.451 3.292 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccnc1OCC(F)F ZINC000423023491 309381628 /nfs/dbraw/zinc/38/16/28/309381628.db2.gz JTQKPCAEQNEXKH-UKRRQHHQSA-N 2 1 327.419 3.126 20 0 EGADMP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423046980 309382801 /nfs/dbraw/zinc/38/28/01/309382801.db2.gz GKKQZZQYGYSYEF-IPMKNSEASA-N 2 1 328.456 3.030 20 0 EGADMP FC(F)COc1cnccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423102116 309385949 /nfs/dbraw/zinc/38/59/49/309385949.db2.gz NWAZSLBPMVFPKU-BZUAXINKSA-N 2 1 339.430 3.126 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000423107746 309386305 /nfs/dbraw/zinc/38/63/05/309386305.db2.gz QFRQSNSFLUPBEM-APWZRJJASA-N 2 1 325.456 3.138 20 0 EGADMP CC[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1Cl)[C@@H]1CCCC[NH2+]1 ZINC000423131706 309387714 /nfs/dbraw/zinc/38/77/14/309387714.db2.gz ICRJHJNTYXHFNW-CABCVRRESA-N 2 1 340.895 3.410 20 0 EGADMP Cc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CC2)c(C)c1 ZINC000423146955 309388407 /nfs/dbraw/zinc/38/84/07/309388407.db2.gz QTDADNUCLMNEOT-DFQSSKMNSA-N 2 1 328.500 3.082 20 0 EGADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cnn1-c1cc(C)ccc1C ZINC000423211664 309390649 /nfs/dbraw/zinc/39/06/49/309390649.db2.gz LBKYRINQHDKPGH-WMZOPIPTSA-N 2 1 326.488 3.448 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC[C@@H]3CCC[NH2+]C3)[C@H]3CCC[C@H]32)cc1 ZINC000423271563 309393329 /nfs/dbraw/zinc/39/33/29/309393329.db2.gz IVUMFUGUDOZJMG-WSWWRLHASA-N 3 1 341.543 3.409 20 0 EGADMP c1ccc(CN2CC[C@H]([NH2+]CC[C@@H]3CCC[NH2+]C3)[C@H]3CCC[C@H]32)cc1 ZINC000423271563 309393330 /nfs/dbraw/zinc/39/33/30/309393330.db2.gz IVUMFUGUDOZJMG-WSWWRLHASA-N 2 1 341.543 3.409 20 0 EGADMP CC(C)[C@H]([NH3+])CN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423284082 309393928 /nfs/dbraw/zinc/39/39/28/309393928.db2.gz XPVKZYHOBSPNPJ-PLACYPQZSA-N 3 1 329.532 3.250 20 0 EGADMP CCC([NH3+])(CC)CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423286322 309394146 /nfs/dbraw/zinc/39/41/46/309394146.db2.gz GNXOYXRECPGMBK-XUVXKRRUSA-N 2 1 329.532 3.394 20 0 EGADMP COCCC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Br)cc1 ZINC000423313337 309394760 /nfs/dbraw/zinc/39/47/60/309394760.db2.gz FOJQLRUWBHIFMA-CVEARBPZSA-N 2 1 341.293 3.244 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c(Br)c1 ZINC000423347664 309396357 /nfs/dbraw/zinc/39/63/57/309396357.db2.gz RPNFRHOHWLBAQM-MLGOLLRUSA-N 2 1 341.293 3.498 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]1 ZINC000423371307 309397665 /nfs/dbraw/zinc/39/76/65/309397665.db2.gz FITLARXIYRVLSZ-MSEOUXRUSA-N 2 1 341.543 3.407 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]1 ZINC000423371307 309397666 /nfs/dbraw/zinc/39/76/66/309397666.db2.gz FITLARXIYRVLSZ-MSEOUXRUSA-N 3 1 341.543 3.407 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]1 ZINC000423371307 309397667 /nfs/dbraw/zinc/39/76/67/309397667.db2.gz FITLARXIYRVLSZ-MSEOUXRUSA-N 3 1 341.543 3.407 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449037656 310031972 /nfs/dbraw/zinc/03/19/72/310031972.db2.gz NVUCPKHHZDKXLL-INIZCTEOSA-N 2 1 344.478 3.390 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449037656 310031973 /nfs/dbraw/zinc/03/19/73/310031973.db2.gz NVUCPKHHZDKXLL-INIZCTEOSA-N 2 1 344.478 3.390 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449037656 310031974 /nfs/dbraw/zinc/03/19/74/310031974.db2.gz NVUCPKHHZDKXLL-INIZCTEOSA-N 2 1 344.478 3.390 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449037656 310031975 /nfs/dbraw/zinc/03/19/75/310031975.db2.gz NVUCPKHHZDKXLL-INIZCTEOSA-N 2 1 344.478 3.390 20 0 EGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000449123792 310038807 /nfs/dbraw/zinc/03/88/07/310038807.db2.gz NTLJJAQKNHSBJI-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCOC4(CCC4)C3)CCCC2)CC1 ZINC000449156637 310040997 /nfs/dbraw/zinc/04/09/97/310040997.db2.gz SVQRTRPJIQXLFG-KRWDZBQOSA-N 2 1 336.520 3.101 20 0 EGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCC12CCC2 ZINC000449233766 310046605 /nfs/dbraw/zinc/04/66/05/310046605.db2.gz MXXDITHDOPKDCN-WOJBJXKFSA-N 2 1 328.500 3.456 20 0 EGADMP OCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000449435232 310061916 /nfs/dbraw/zinc/06/19/16/310061916.db2.gz ADQOFRUHVYGHMC-ULQDDVLXSA-N 2 1 342.405 3.345 20 0 EGADMP OCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000449435232 310061917 /nfs/dbraw/zinc/06/19/17/310061917.db2.gz ADQOFRUHVYGHMC-ULQDDVLXSA-N 2 1 342.405 3.345 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CC3CCC(C)CC3)C2)CC1 ZINC000449496773 310066931 /nfs/dbraw/zinc/06/69/31/310066931.db2.gz JNYVDWDLMPZKRN-DQVLVPHSSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CC3CCC(C)CC3)C2)CC1 ZINC000449496773 310066932 /nfs/dbraw/zinc/06/69/32/310066932.db2.gz JNYVDWDLMPZKRN-DQVLVPHSSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CC3CCC(C)CC3)C2)CC1 ZINC000449496773 310066933 /nfs/dbraw/zinc/06/69/33/310066933.db2.gz JNYVDWDLMPZKRN-DQVLVPHSSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CC3CCC(C)CC3)C2)CC1 ZINC000449496773 310066934 /nfs/dbraw/zinc/06/69/34/310066934.db2.gz JNYVDWDLMPZKRN-DQVLVPHSSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000449508986 310068043 /nfs/dbraw/zinc/06/80/43/310068043.db2.gz VTDZSYXUUFMPTP-NRSPTQNISA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000449508986 310068044 /nfs/dbraw/zinc/06/80/44/310068044.db2.gz VTDZSYXUUFMPTP-NRSPTQNISA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000449508986 310068045 /nfs/dbraw/zinc/06/80/45/310068045.db2.gz VTDZSYXUUFMPTP-NRSPTQNISA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000449508986 310068046 /nfs/dbraw/zinc/06/80/46/310068046.db2.gz VTDZSYXUUFMPTP-NRSPTQNISA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1ccsc1 ZINC000449799806 310087952 /nfs/dbraw/zinc/08/79/52/310087952.db2.gz AWRIUEVMQASCET-ZWKOTPCHSA-N 2 1 349.544 3.264 20 0 EGADMP CC(C)N1CCCC[C@H]1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450643828 310134782 /nfs/dbraw/zinc/13/47/82/310134782.db2.gz ROJXCUFWQIIYLD-NRFANRHFSA-N 2 1 344.547 3.493 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450643828 310134783 /nfs/dbraw/zinc/13/47/83/310134783.db2.gz ROJXCUFWQIIYLD-NRFANRHFSA-N 2 1 344.547 3.493 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450643828 310134784 /nfs/dbraw/zinc/13/47/84/310134784.db2.gz ROJXCUFWQIIYLD-NRFANRHFSA-N 2 1 344.547 3.493 20 0 EGADMP C[C@@H]1C[N@@H+](CC23CC4CC(CC(C4)C2)C3)CCN1C1CC[NH+](C)CC1 ZINC000450653405 310135204 /nfs/dbraw/zinc/13/52/04/310135204.db2.gz OUVFSJZHJUIJIM-GWVGAJKQSA-N 2 1 345.575 3.303 20 0 EGADMP Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450655598 310135604 /nfs/dbraw/zinc/13/56/04/310135604.db2.gz YRQCIHBAPUDMJP-VQIMIIECSA-N 2 1 335.923 3.106 20 0 EGADMP Cc1cccc(Cl)c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450655598 310135605 /nfs/dbraw/zinc/13/56/05/310135605.db2.gz YRQCIHBAPUDMJP-VQIMIIECSA-N 2 1 335.923 3.106 20 0 EGADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451301475 310170468 /nfs/dbraw/zinc/17/04/68/310170468.db2.gz CPSFXCDDZCQBCF-CVEARBPZSA-N 2 1 330.394 3.203 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451301475 310170469 /nfs/dbraw/zinc/17/04/69/310170469.db2.gz CPSFXCDDZCQBCF-CVEARBPZSA-N 2 1 330.394 3.203 20 0 EGADMP Cc1nccn1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453098139 310257678 /nfs/dbraw/zinc/25/76/78/310257678.db2.gz ZVRWWOPQIJIEDB-HBMCJLEFSA-N 2 1 338.499 3.224 20 0 EGADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453117431 310258983 /nfs/dbraw/zinc/25/89/83/310258983.db2.gz KQPHDBMCFTZQBC-JSXRDJHFSA-N 2 1 330.516 3.426 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2COc3ccc(OC)cc3C2)c1 ZINC000453117456 310259088 /nfs/dbraw/zinc/25/90/88/310259088.db2.gz ZEWAIJXAXAMRIL-IBGZPJMESA-N 2 1 340.467 3.240 20 0 EGADMP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453127725 310259841 /nfs/dbraw/zinc/25/98/41/310259841.db2.gz LXCNVQSASNTHMQ-PMXSJFBMSA-N 2 1 330.516 3.428 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453176285 310262479 /nfs/dbraw/zinc/26/24/79/310262479.db2.gz LSENVFOKCOUVBQ-RTBURBONSA-N 2 1 334.891 3.282 20 0 EGADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C[NH+](C)C ZINC000453225825 310265353 /nfs/dbraw/zinc/26/53/53/310265353.db2.gz CBVLDGLWLOAXHN-WLRLJWMZSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C[NH+](C)C ZINC000453225825 310265354 /nfs/dbraw/zinc/26/53/54/310265354.db2.gz CBVLDGLWLOAXHN-WLRLJWMZSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C[NH+](C)C ZINC000453225825 310265355 /nfs/dbraw/zinc/26/53/55/310265355.db2.gz CBVLDGLWLOAXHN-WLRLJWMZSA-N 3 1 329.532 3.217 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ncccc2C)[C@@H](C)C1 ZINC000453306964 310270249 /nfs/dbraw/zinc/27/02/49/310270249.db2.gz KWDGZYALQJQDJV-ICSRJNTNSA-N 2 1 333.520 3.049 20 0 EGADMP C[C@@H](NCC[N@H+]1CCCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000453401625 310275112 /nfs/dbraw/zinc/27/51/12/310275112.db2.gz PJQPVCBDVXNUAQ-QGZVFWFLSA-N 2 1 333.520 3.152 20 0 EGADMP C[C@@H]([NH2+]CCN1CCCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000453401625 310275113 /nfs/dbraw/zinc/27/51/13/310275113.db2.gz PJQPVCBDVXNUAQ-QGZVFWFLSA-N 2 1 333.520 3.152 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000453407466 310275311 /nfs/dbraw/zinc/27/53/11/310275311.db2.gz RWXNXUGYYUZDCF-UYAOXDASSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]([NH2+]CCCC[NH+](C)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453407466 310275312 /nfs/dbraw/zinc/27/53/12/310275312.db2.gz RWXNXUGYYUZDCF-UYAOXDASSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]([NH2+]CCCC[NH+](C)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453407466 310275313 /nfs/dbraw/zinc/27/53/13/310275313.db2.gz RWXNXUGYYUZDCF-UYAOXDASSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000453407466 310275314 /nfs/dbraw/zinc/27/53/14/310275314.db2.gz RWXNXUGYYUZDCF-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000453407466 310275315 /nfs/dbraw/zinc/27/53/15/310275315.db2.gz RWXNXUGYYUZDCF-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000453407464 310275318 /nfs/dbraw/zinc/27/53/18/310275318.db2.gz RWXNXUGYYUZDCF-ICSRJNTNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H]([NH2+]CCCC[NH+](C)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453407464 310275319 /nfs/dbraw/zinc/27/53/19/310275319.db2.gz RWXNXUGYYUZDCF-ICSRJNTNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H]([NH2+]CCCC[NH+](C)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453407464 310275320 /nfs/dbraw/zinc/27/53/20/310275320.db2.gz RWXNXUGYYUZDCF-ICSRJNTNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000453407464 310275321 /nfs/dbraw/zinc/27/53/21/310275321.db2.gz RWXNXUGYYUZDCF-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000453407464 310275322 /nfs/dbraw/zinc/27/53/22/310275322.db2.gz RWXNXUGYYUZDCF-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cnn(Cc2ccccc2)c1 ZINC000453408259 310275522 /nfs/dbraw/zinc/27/55/22/310275522.db2.gz SRSHGTYIHNAUIM-KRWDZBQOSA-N 2 1 326.488 3.456 20 0 EGADMP C[C@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000456266438 310395729 /nfs/dbraw/zinc/39/57/29/310395729.db2.gz IFXXDMSMRZPINA-GJRWTSMGSA-N 2 1 329.488 3.435 20 0 EGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000488408286 311064211 /nfs/dbraw/zinc/06/42/11/311064211.db2.gz HDVGCVGHEZQBJL-UYAOXDASSA-N 2 1 328.500 3.182 20 0 EGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000488408286 311064213 /nfs/dbraw/zinc/06/42/13/311064213.db2.gz HDVGCVGHEZQBJL-UYAOXDASSA-N 2 1 328.500 3.182 20 0 EGADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CS1 ZINC000488451342 311066320 /nfs/dbraw/zinc/06/63/20/311066320.db2.gz FCNNDARGTXOHJF-HZPDHXFCSA-N 2 1 326.550 3.141 20 0 EGADMP CC(C)[C@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000488595604 311072809 /nfs/dbraw/zinc/07/28/09/311072809.db2.gz XSWFUFXIVRMUNA-HXUWFJFHSA-N 2 1 331.548 3.417 20 0 EGADMP CC(C)[C@H]1CN(CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000488595604 311072810 /nfs/dbraw/zinc/07/28/10/311072810.db2.gz XSWFUFXIVRMUNA-HXUWFJFHSA-N 2 1 331.548 3.417 20 0 EGADMP CC(C)[C@H]1CN(CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000488595604 311072812 /nfs/dbraw/zinc/07/28/12/311072812.db2.gz XSWFUFXIVRMUNA-HXUWFJFHSA-N 2 1 331.548 3.417 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000489926336 311125667 /nfs/dbraw/zinc/12/56/67/311125667.db2.gz BSMJCYLUVXJLJJ-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000489926336 311125668 /nfs/dbraw/zinc/12/56/68/311125668.db2.gz BSMJCYLUVXJLJJ-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000489926336 311125670 /nfs/dbraw/zinc/12/56/70/311125670.db2.gz BSMJCYLUVXJLJJ-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000489926336 311125671 /nfs/dbraw/zinc/12/56/71/311125671.db2.gz BSMJCYLUVXJLJJ-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP C[C@@H](NCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000492353044 311241191 /nfs/dbraw/zinc/24/11/91/311241191.db2.gz QLABYVNVVYVSQU-SFHLNBCPSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H](NCC[NH+]1CCC[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492353044 311241192 /nfs/dbraw/zinc/24/11/92/311241192.db2.gz QLABYVNVVYVSQU-SFHLNBCPSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H](NCC[NH+]1CCC[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492353044 311241193 /nfs/dbraw/zinc/24/11/93/311241193.db2.gz QLABYVNVVYVSQU-SFHLNBCPSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492353044 311241194 /nfs/dbraw/zinc/24/11/94/311241194.db2.gz QLABYVNVVYVSQU-SFHLNBCPSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492353044 311241195 /nfs/dbraw/zinc/24/11/95/311241195.db2.gz QLABYVNVVYVSQU-SFHLNBCPSA-N 2 1 329.532 3.219 20 0 EGADMP Cc1cccc(N2CCC([NH2+][C@H]3CCc4ccccc4OC3)CC2)[nH+]1 ZINC000493978362 311449052 /nfs/dbraw/zinc/44/90/52/311449052.db2.gz RYDIHPGLGUYHBW-IBGZPJMESA-N 2 1 337.467 3.342 20 0 EGADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495813785 311615194 /nfs/dbraw/zinc/61/51/94/311615194.db2.gz JJQFDMYGDGKFFS-HNNXBMFYSA-N 2 1 339.524 3.096 20 0 EGADMP COCC[N@H+](C)CC[C@@H](Nc1[nH+]cnc2[nH]ccc21)c1ccccc1 ZINC000505615382 312028424 /nfs/dbraw/zinc/02/84/24/312028424.db2.gz UBDWXLJFMZIRMF-QGZVFWFLSA-N 2 1 339.443 3.079 20 0 EGADMP COCC[N@@H+](C)CC[C@@H](Nc1[nH+]cnc2[nH]ccc21)c1ccccc1 ZINC000505615382 312028425 /nfs/dbraw/zinc/02/84/25/312028425.db2.gz UBDWXLJFMZIRMF-QGZVFWFLSA-N 2 1 339.443 3.079 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCn3cccc3[C@H]2C)CC1 ZINC000505707713 312030921 /nfs/dbraw/zinc/03/09/21/312030921.db2.gz SVIYWJDUVLQUGU-GOSISDBHSA-N 2 1 338.499 3.207 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCn3cccc3[C@H]2C)CC1 ZINC000505707713 312030922 /nfs/dbraw/zinc/03/09/22/312030922.db2.gz SVIYWJDUVLQUGU-GOSISDBHSA-N 2 1 338.499 3.207 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000506263066 312046066 /nfs/dbraw/zinc/04/60/66/312046066.db2.gz HWJIYHZBYZLUDP-TZIWHRDSSA-N 2 1 345.531 3.324 20 0 EGADMP Oc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000507464306 312073457 /nfs/dbraw/zinc/07/34/57/312073457.db2.gz WSBPMYATRIYRJS-ILWGZMRPSA-N 2 1 336.479 3.435 20 0 EGADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507485106 312074626 /nfs/dbraw/zinc/07/46/26/312074626.db2.gz KRWFVGYKAYSDIZ-OFOKGCAXSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507503578 312075168 /nfs/dbraw/zinc/07/51/68/312075168.db2.gz AOQQISKNDLMORR-RYFAJOAYSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@H](CN1CCCCC1)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000507503578 312075169 /nfs/dbraw/zinc/07/51/69/312075169.db2.gz AOQQISKNDLMORR-RYFAJOAYSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@H](CN1CCCCC1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507503578 312075171 /nfs/dbraw/zinc/07/51/71/312075171.db2.gz AOQQISKNDLMORR-RYFAJOAYSA-N 3 1 341.543 3.361 20 0 EGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000507521208 312076064 /nfs/dbraw/zinc/07/60/64/312076064.db2.gz WHHKEZIOXYTMDB-PFAUGDHASA-N 2 1 328.500 3.302 20 0 EGADMP C[C@H](C(=O)N1CCC[NH+](CC2CCCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000508191079 312090472 /nfs/dbraw/zinc/09/04/72/312090472.db2.gz ARNLJVHZEXINND-CEXWTWQISA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000508191079 312090474 /nfs/dbraw/zinc/09/04/74/312090474.db2.gz ARNLJVHZEXINND-CEXWTWQISA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000508191079 312090477 /nfs/dbraw/zinc/09/04/77/312090477.db2.gz ARNLJVHZEXINND-CEXWTWQISA-N 2 1 349.563 3.362 20 0 EGADMP CC[N@@H+]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)[C@@H](C)C1 ZINC000510985044 312152059 /nfs/dbraw/zinc/15/20/59/312152059.db2.gz YZTMLYQEXHCLNN-YSIASYRMSA-N 2 1 329.532 3.217 20 0 EGADMP CC[NH+]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@@H](C)C1 ZINC000510985044 312152060 /nfs/dbraw/zinc/15/20/60/312152060.db2.gz YZTMLYQEXHCLNN-YSIASYRMSA-N 2 1 329.532 3.217 20 0 EGADMP CC[NH+]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@@H](C)C1 ZINC000510985044 312152062 /nfs/dbraw/zinc/15/20/62/312152062.db2.gz YZTMLYQEXHCLNN-YSIASYRMSA-N 2 1 329.532 3.217 20 0 EGADMP Cc1cc(F)ccc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512177843 312178258 /nfs/dbraw/zinc/17/82/58/312178258.db2.gz GJUDAYRKGJUZES-CALCHBBNSA-N 2 1 334.479 3.455 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N([C@@H](C)C2CC2)C2CC2)CC1 ZINC000512261188 312180746 /nfs/dbraw/zinc/18/07/46/312180746.db2.gz NOKYEGJKQNBZIA-KRWDZBQOSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[NH+](CCCNc2cc[nH+]c3ccc(Cl)cc23)C[C@H](C)O1 ZINC000513645760 312214231 /nfs/dbraw/zinc/21/42/31/312214231.db2.gz PNZKAKHWYCXUQP-KBPBESRZSA-N 2 1 333.863 3.221 20 0 EGADMP C[C@H]1C[N@@H+](CCCNCc2ncc(C(C)(C)C)s2)CCCO1 ZINC000516920877 312350982 /nfs/dbraw/zinc/35/09/82/312350982.db2.gz PTCZVDSOPNQNMB-AWEZNQCLSA-N 2 1 325.522 3.031 20 0 EGADMP CC1(C)CCC[C@]1(O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000517046686 312361189 /nfs/dbraw/zinc/36/11/89/312361189.db2.gz FTBHXLRKVUZVFH-DYQZNNLLSA-N 2 1 342.527 3.428 20 0 EGADMP Cc1ccccc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000520190529 312495197 /nfs/dbraw/zinc/49/51/97/312495197.db2.gz XNRTUIBITPTYDG-GOSISDBHSA-N 2 1 329.513 3.135 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](CC3(O)CCC(c4ccccc4)CC3)CC[C@@H]21 ZINC000528404660 313085497 /nfs/dbraw/zinc/08/54/97/313085497.db2.gz IHGFROMBZQPXBT-INAZGPRKSA-N 2 1 342.527 3.491 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3(O)CCC(c4ccccc4)CC3)CC[C@@H]21 ZINC000528404660 313085501 /nfs/dbraw/zinc/08/55/01/313085501.db2.gz IHGFROMBZQPXBT-INAZGPRKSA-N 2 1 342.527 3.491 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000528441696 313094698 /nfs/dbraw/zinc/09/46/98/313094698.db2.gz QVRVURUYERYYGQ-QKLQHJQFSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000528441696 313094703 /nfs/dbraw/zinc/09/47/03/313094703.db2.gz QVRVURUYERYYGQ-QKLQHJQFSA-N 2 1 347.547 3.163 20 0 EGADMP COC(=O)[C@@]1(C)CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000536666508 314136578 /nfs/dbraw/zinc/13/65/78/314136578.db2.gz NAEGHPHBXYXAEE-FQEVSTJZSA-N 2 1 332.488 3.030 20 0 EGADMP COC(=O)[C@@]1(C)CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000536666508 314136580 /nfs/dbraw/zinc/13/65/80/314136580.db2.gz NAEGHPHBXYXAEE-FQEVSTJZSA-N 2 1 332.488 3.030 20 0 EGADMP COC(=O)[C@@]1(C)CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000536666508 314136582 /nfs/dbraw/zinc/13/65/82/314136582.db2.gz NAEGHPHBXYXAEE-FQEVSTJZSA-N 2 1 332.488 3.030 20 0 EGADMP Cc1ccncc1[C@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000536770496 314144655 /nfs/dbraw/zinc/14/46/55/314144655.db2.gz DNPPWGQXNQQJGR-FUHWJXTLSA-N 2 1 344.528 3.091 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2c(C)cccc2C)[C@H](C)C1 ZINC000536876429 314151470 /nfs/dbraw/zinc/15/14/70/314151470.db2.gz KXYVSPIHPKCPDN-WOJBJXKFSA-N 2 1 348.531 3.409 20 0 EGADMP Cc1cc([C@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)C2CC2)ccc1F ZINC000538098564 314226899 /nfs/dbraw/zinc/22/68/99/314226899.db2.gz IDSGFVOVOCXROE-UYAOXDASSA-N 2 1 334.479 3.268 20 0 EGADMP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000538798234 314276797 /nfs/dbraw/zinc/27/67/97/314276797.db2.gz UGAJYHXXUOBJFO-MISYRCLQSA-N 2 1 332.488 3.159 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000538798234 314276798 /nfs/dbraw/zinc/27/67/98/314276798.db2.gz UGAJYHXXUOBJFO-MISYRCLQSA-N 2 1 332.488 3.159 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOC2CCCCC2)[C@H](C)C1 ZINC000540175467 314367561 /nfs/dbraw/zinc/36/75/61/314367561.db2.gz IXVMCCRZIYJSIP-MJGOQNOKSA-N 2 1 326.525 3.062 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cccc(F)c2F)[C@@H](C)C1 ZINC000540177315 314367816 /nfs/dbraw/zinc/36/78/16/314367816.db2.gz CTIZQRASMSZVQF-YJBOKZPZSA-N 2 1 340.458 3.234 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]12 ZINC000552337375 315214240 /nfs/dbraw/zinc/21/42/40/315214240.db2.gz RVOSMEATUSJTGE-CIAFKFPVSA-N 2 1 341.543 3.361 20 0 EGADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000552337375 315214245 /nfs/dbraw/zinc/21/42/45/315214245.db2.gz RVOSMEATUSJTGE-CIAFKFPVSA-N 2 1 341.543 3.361 20 0 EGADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000552337375 315214247 /nfs/dbraw/zinc/21/42/47/315214247.db2.gz RVOSMEATUSJTGE-CIAFKFPVSA-N 2 1 341.543 3.361 20 0 EGADMP CCCN1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000552337375 315214251 /nfs/dbraw/zinc/21/42/51/315214251.db2.gz RVOSMEATUSJTGE-CIAFKFPVSA-N 2 1 341.543 3.361 20 0 EGADMP CCCN1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000552337375 315214253 /nfs/dbraw/zinc/21/42/53/315214253.db2.gz RVOSMEATUSJTGE-CIAFKFPVSA-N 2 1 341.543 3.361 20 0 EGADMP CC(C)CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000555235155 315374411 /nfs/dbraw/zinc/37/44/11/315374411.db2.gz GNLJDIXSYKXFCN-LEWJYISDSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000555235155 315374412 /nfs/dbraw/zinc/37/44/12/315374412.db2.gz GNLJDIXSYKXFCN-LEWJYISDSA-N 2 1 330.516 3.428 20 0 EGADMP Cc1c2cccc(Cl)c2sc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000555564341 315390963 /nfs/dbraw/zinc/39/09/63/315390963.db2.gz MHWXPQOTLQEWCY-MRXNPFEDSA-N 2 1 326.893 3.265 20 0 EGADMP C[C@H]1[C@H](NC(=O)Nc2ccn3ccnc3c2)CC[N@H+]1Cc1ccccc1 ZINC000563786150 316067896 /nfs/dbraw/zinc/06/78/96/316067896.db2.gz GKVXQRQDUVAESG-MAUKXSAKSA-N 2 1 349.438 3.119 20 0 EGADMP Cc1ccc(C[C@H]2CCC[N@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)cc1 ZINC000563887617 316086229 /nfs/dbraw/zinc/08/62/29/316086229.db2.gz IBQAIECINVOKDP-MRXNPFEDSA-N 2 1 328.460 3.027 20 0 EGADMP Cc1ccc(C[C@H]2CCC[N@@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)cc1 ZINC000563887617 316086235 /nfs/dbraw/zinc/08/62/35/316086235.db2.gz IBQAIECINVOKDP-MRXNPFEDSA-N 2 1 328.460 3.027 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000564850141 316217551 /nfs/dbraw/zinc/21/75/51/316217551.db2.gz QQSOVHSSRBSDTP-IFMALSPDSA-N 2 1 338.495 3.058 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000564850141 316217554 /nfs/dbraw/zinc/21/75/54/316217554.db2.gz QQSOVHSSRBSDTP-IFMALSPDSA-N 2 1 338.495 3.058 20 0 EGADMP C[C@@H]1C[N@H+](CCS[C@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC000564965798 316238920 /nfs/dbraw/zinc/23/89/20/316238920.db2.gz LRQDUGMBHLOXRG-MJGOQNOKSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@@H]1C[N@@H+](CCS[C@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC000564965798 316238925 /nfs/dbraw/zinc/23/89/25/316238925.db2.gz LRQDUGMBHLOXRG-MJGOQNOKSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@@H]1C[NH+](CCS[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000564965798 316238929 /nfs/dbraw/zinc/23/89/29/316238929.db2.gz LRQDUGMBHLOXRG-MJGOQNOKSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@@H]1C[NH+](CCS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000564965798 316238933 /nfs/dbraw/zinc/23/89/33/316238933.db2.gz LRQDUGMBHLOXRG-MJGOQNOKSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000565690422 316356011 /nfs/dbraw/zinc/35/60/11/316356011.db2.gz TXBDLEIXEXEJKA-KAGYGMCKSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000565690422 316356014 /nfs/dbraw/zinc/35/60/14/316356014.db2.gz TXBDLEIXEXEJKA-KAGYGMCKSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000565690422 316356017 /nfs/dbraw/zinc/35/60/17/316356017.db2.gz TXBDLEIXEXEJKA-KAGYGMCKSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000565690422 316356020 /nfs/dbraw/zinc/35/60/20/316356020.db2.gz TXBDLEIXEXEJKA-KAGYGMCKSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000565690422 316356022 /nfs/dbraw/zinc/35/60/22/316356022.db2.gz TXBDLEIXEXEJKA-KAGYGMCKSA-N 2 1 341.543 3.361 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@]3(C)CCCC[C@@H]3C)CC2)CC1 ZINC000565727129 316363045 /nfs/dbraw/zinc/36/30/45/316363045.db2.gz YLHDTBUEIXUPEF-LAUBAEHRSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(C)c1 ZINC000570606622 317080271 /nfs/dbraw/zinc/08/02/71/317080271.db2.gz XQLBFMATAFUQJB-MSOLQXFVSA-N 2 1 331.504 3.340 20 0 EGADMP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1cc2ccccc2s1 ZINC000571633838 317226072 /nfs/dbraw/zinc/22/60/72/317226072.db2.gz BFEMDCZGWKLRBK-GFCCVEGCSA-N 2 1 341.484 3.337 20 0 EGADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000572148943 317298556 /nfs/dbraw/zinc/29/85/56/317298556.db2.gz KWMGIZXFRXQLOO-XLIONFOSSA-N 2 1 348.531 3.145 20 0 EGADMP COc1cc(F)c([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1OC ZINC000178787235 323360420 /nfs/dbraw/zinc/36/04/20/323360420.db2.gz OBMQHGRHQLOFKJ-ZDUSSCGKSA-N 2 1 335.423 3.479 20 0 EGADMP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379664183 324240696 /nfs/dbraw/zinc/24/06/96/324240696.db2.gz OFNZUNZJVTWJOS-XUVXKRRUSA-N 2 1 343.515 3.065 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc2c1OCO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000385661650 324262631 /nfs/dbraw/zinc/26/26/31/324262631.db2.gz CGVQXMPUVPKREL-APWZRJJASA-N 2 1 338.451 3.416 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc2c1OCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000385661650 324262635 /nfs/dbraw/zinc/26/26/35/324262635.db2.gz CGVQXMPUVPKREL-APWZRJJASA-N 2 1 338.451 3.416 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CCN1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000385881882 324264568 /nfs/dbraw/zinc/26/45/68/324264568.db2.gz BVKLWVLHIHPCLA-BHDDXSALSA-N 2 1 341.543 3.315 20 0 EGADMP C[NH+]1CCCC[C@@H]1CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000385881882 324264570 /nfs/dbraw/zinc/26/45/70/324264570.db2.gz BVKLWVLHIHPCLA-BHDDXSALSA-N 2 1 341.543 3.315 20 0 EGADMP C[NH+]1CCCC[C@@H]1CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000385881882 324264572 /nfs/dbraw/zinc/26/45/72/324264572.db2.gz BVKLWVLHIHPCLA-BHDDXSALSA-N 2 1 341.543 3.315 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CCN1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000385881916 324265043 /nfs/dbraw/zinc/26/50/43/324265043.db2.gz BVKLWVLHIHPCLA-YPAWHYETSA-N 2 1 341.543 3.315 20 0 EGADMP C[NH+]1CCCC[C@@H]1CCN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000385881916 324265049 /nfs/dbraw/zinc/26/50/49/324265049.db2.gz BVKLWVLHIHPCLA-YPAWHYETSA-N 2 1 341.543 3.315 20 0 EGADMP C[NH+]1CCCC[C@@H]1CCN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000385881916 324265051 /nfs/dbraw/zinc/26/50/51/324265051.db2.gz BVKLWVLHIHPCLA-YPAWHYETSA-N 2 1 341.543 3.315 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOCC(F)(F)F ZINC000397976704 324294967 /nfs/dbraw/zinc/29/49/67/324294967.db2.gz KYPYLOXGFQGMCS-NVXWUHKLSA-N 2 1 344.421 3.456 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOCC(F)(F)F ZINC000397976704 324294969 /nfs/dbraw/zinc/29/49/69/324294969.db2.gz KYPYLOXGFQGMCS-NVXWUHKLSA-N 2 1 344.421 3.456 20 0 EGADMP Fc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)co2)cc1F ZINC000579717572 325150389 /nfs/dbraw/zinc/15/03/89/325150389.db2.gz DHJDPMSXZPBTSN-GJZGRUSLSA-N 2 1 347.409 3.441 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(Sc2ccccc2)CCCC1)C1CC1 ZINC000580305468 325231897 /nfs/dbraw/zinc/23/18/97/325231897.db2.gz FFWPNKOAVRVBAS-KRWDZBQOSA-N 2 1 334.529 3.136 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(Sc2ccccc2)CCCC1)C1CC1 ZINC000580305468 325231899 /nfs/dbraw/zinc/23/18/99/325231899.db2.gz FFWPNKOAVRVBAS-KRWDZBQOSA-N 2 1 334.529 3.136 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCCCC[NH2+]3)cc2)C1 ZINC000580314849 325233687 /nfs/dbraw/zinc/23/36/87/325233687.db2.gz KWEZNMQAXAXQBV-VQIMIIECSA-N 2 1 329.488 3.389 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc4ccoc43)C2)CC1 ZINC000580932993 325310693 /nfs/dbraw/zinc/31/06/93/325310693.db2.gz XLADPTLDEKDDFN-LJQANCHMSA-N 2 1 327.472 3.033 20 0 EGADMP CCC(CC)(C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(=O)OC ZINC000581086147 325328898 /nfs/dbraw/zinc/32/88/98/325328898.db2.gz SXQOHDWPHOBNPZ-MSOLQXFVSA-N 2 1 332.488 3.391 20 0 EGADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(=O)OC ZINC000581086147 325328900 /nfs/dbraw/zinc/32/89/00/325328900.db2.gz SXQOHDWPHOBNPZ-MSOLQXFVSA-N 2 1 332.488 3.391 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)CN[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000581556033 325371487 /nfs/dbraw/zinc/37/14/87/325371487.db2.gz KLCARYQPIZLALI-JKSUJKDBSA-N 2 1 332.410 3.305 20 0 EGADMP CCN(C)C[C@@H](O)C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000581556033 325371488 /nfs/dbraw/zinc/37/14/88/325371488.db2.gz KLCARYQPIZLALI-JKSUJKDBSA-N 2 1 332.410 3.305 20 0 EGADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000581556033 325371491 /nfs/dbraw/zinc/37/14/91/325371491.db2.gz KLCARYQPIZLALI-JKSUJKDBSA-N 2 1 332.410 3.305 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000581556033 325371493 /nfs/dbraw/zinc/37/14/93/325371493.db2.gz KLCARYQPIZLALI-JKSUJKDBSA-N 2 1 332.410 3.305 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000583021418 325488542 /nfs/dbraw/zinc/48/85/42/325488542.db2.gz HHMLQIRJFMSIPQ-CVEARBPZSA-N 2 1 339.911 3.083 20 0 EGADMP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000583617013 325538628 /nfs/dbraw/zinc/53/86/28/325538628.db2.gz JBUFODLFZLJABX-TZMCWYRMSA-N 2 1 332.473 3.323 20 0 EGADMP COc1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc(Cl)c1OC ZINC000518354065 458859391 /nfs/dbraw/zinc/85/93/91/458859391.db2.gz ZABRWUZJBBUAQQ-WFASDCNBSA-N 2 1 326.868 3.129 20 0 EGADMP COc1cc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc(Cl)c1OC ZINC000518354065 458859394 /nfs/dbraw/zinc/85/93/94/458859394.db2.gz ZABRWUZJBBUAQQ-WFASDCNBSA-N 2 1 326.868 3.129 20 0 EGADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc(Cl)c1OC ZINC000518354065 458859406 /nfs/dbraw/zinc/85/94/06/458859406.db2.gz ZABRWUZJBBUAQQ-WFASDCNBSA-N 2 1 326.868 3.129 20 0 EGADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc(Cl)c1OC ZINC000518354065 458859410 /nfs/dbraw/zinc/85/94/10/458859410.db2.gz ZABRWUZJBBUAQQ-WFASDCNBSA-N 2 1 326.868 3.129 20 0 EGADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc(Cl)c1OC ZINC000518354065 458859413 /nfs/dbraw/zinc/85/94/13/458859413.db2.gz ZABRWUZJBBUAQQ-WFASDCNBSA-N 2 1 326.868 3.129 20 0 EGADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc(Cl)c1OC ZINC000518354065 458859417 /nfs/dbraw/zinc/85/94/17/458859417.db2.gz ZABRWUZJBBUAQQ-WFASDCNBSA-N 2 1 326.868 3.129 20 0 EGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000183307685 455275309 /nfs/dbraw/zinc/27/53/09/455275309.db2.gz GORYEUFGWZHCQR-SJORKVTESA-N 2 1 348.487 3.154 20 0 EGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000183307685 455275314 /nfs/dbraw/zinc/27/53/14/455275314.db2.gz GORYEUFGWZHCQR-SJORKVTESA-N 2 1 348.487 3.154 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]CCC[NH+]3C[C@H](C)C[C@@H](C)C3)c(C)n2n1 ZINC000245532321 455323388 /nfs/dbraw/zinc/32/33/88/455323388.db2.gz HYYJWUJJMMMEMT-INMHGKMJSA-N 2 1 343.519 3.365 20 0 EGADMP COc1cccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)co2)c1 ZINC000631828541 460575342 /nfs/dbraw/zinc/57/53/42/460575342.db2.gz RLEGQQYMXMHNHV-DZKIICNBSA-N 2 1 329.444 3.155 20 0 EGADMP COc1cccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)co2)c1 ZINC000631828541 460575346 /nfs/dbraw/zinc/57/53/46/460575346.db2.gz RLEGQQYMXMHNHV-DZKIICNBSA-N 2 1 329.444 3.155 20 0 EGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cccnc1 ZINC000245579106 455334240 /nfs/dbraw/zinc/33/42/40/455334240.db2.gz ARWUUMYRBTYUEO-RXVVDRJESA-N 2 1 338.499 3.111 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000066960824 453890284 /nfs/dbraw/zinc/89/02/84/453890284.db2.gz JVMITMIKVZZZBJ-SFHVURJKSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000067421326 453930018 /nfs/dbraw/zinc/93/00/18/453930018.db2.gz DVEDEMQSZOUHIJ-KRWDZBQOSA-N 2 1 348.535 3.010 20 0 EGADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2)nc1 ZINC000067919859 453980930 /nfs/dbraw/zinc/98/09/30/453980930.db2.gz MVAIKDBLJWPFGL-NRFANRHFSA-N 2 1 337.467 3.236 20 0 EGADMP c1ccc(COc2cccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2)nc1 ZINC000067919859 453980931 /nfs/dbraw/zinc/98/09/31/453980931.db2.gz MVAIKDBLJWPFGL-NRFANRHFSA-N 2 1 337.467 3.236 20 0 EGADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc(Cl)c1OC ZINC000058061164 454162468 /nfs/dbraw/zinc/16/24/68/454162468.db2.gz FUSDNTUIKPVUFF-CYBMUJFWSA-N 2 1 326.868 3.177 20 0 EGADMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc(Cl)c1OC ZINC000058061164 454162470 /nfs/dbraw/zinc/16/24/70/454162470.db2.gz FUSDNTUIKPVUFF-CYBMUJFWSA-N 2 1 326.868 3.177 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCCC2)cc1 ZINC000089593018 454164787 /nfs/dbraw/zinc/16/47/87/454164787.db2.gz NKONLUKIPXYZAU-CVEARBPZSA-N 2 1 340.471 3.232 20 0 EGADMP CC[NH2+]CC1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000093993638 454181803 /nfs/dbraw/zinc/18/18/03/454181803.db2.gz LRQWPRBPEOFPKZ-UHFFFAOYSA-N 2 1 329.257 3.410 20 0 EGADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000120020584 454248330 /nfs/dbraw/zinc/24/83/30/454248330.db2.gz AALJKAHCMRLYGO-YJBOKZPZSA-N 2 1 345.487 3.456 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOC2CCCCCC2)[C@H](C)C1 ZINC000131567862 454265078 /nfs/dbraw/zinc/26/50/78/454265078.db2.gz UKKYXDAFOQSMNV-UYAOXDASSA-N 2 1 340.552 3.452 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000090522491 454316453 /nfs/dbraw/zinc/31/64/53/454316453.db2.gz IUWAJEPYHYGNIJ-VMDGZTHMSA-N 2 1 338.442 3.383 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H]3CCC[N@@H+](CC(C)C)C3)c(C)n2n1 ZINC000090586721 454324070 /nfs/dbraw/zinc/32/40/70/454324070.db2.gz UJUJVTIGSLMVNV-AEFFLSMTSA-N 2 1 343.519 3.365 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H]3CCC[N@H+](CC(C)C)C3)c(C)n2n1 ZINC000090586721 454324072 /nfs/dbraw/zinc/32/40/72/454324072.db2.gz UJUJVTIGSLMVNV-AEFFLSMTSA-N 2 1 343.519 3.365 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(Oc2ccncc2)c1 ZINC000120643779 454329562 /nfs/dbraw/zinc/32/95/62/454329562.db2.gz AMQIWXUSSYPHOP-BEFAXECRSA-N 2 1 339.439 3.286 20 0 EGADMP CCc1nc2c(s1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCC2 ZINC000132971469 454381624 /nfs/dbraw/zinc/38/16/24/454381624.db2.gz HPBZNRDNIHCWNP-ZBFHGGJFSA-N 2 1 349.544 3.173 20 0 EGADMP CCOc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000133106924 454393345 /nfs/dbraw/zinc/39/33/45/454393345.db2.gz ZTVRMEVEFJKAOE-IAGOWNOFSA-N 2 1 332.488 3.237 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000121416184 454433705 /nfs/dbraw/zinc/43/37/05/454433705.db2.gz DNCOKJSXBHMPMG-IRXDYDNUSA-N 3 1 344.503 3.119 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000121467241 454438836 /nfs/dbraw/zinc/43/88/36/454438836.db2.gz UNOKVTVIZXBFDN-HUUCEWRRSA-N 2 1 342.443 3.135 20 0 EGADMP CC[C@](C)(COc1ncccc1Cl)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000091686670 454458156 /nfs/dbraw/zinc/45/81/56/454458156.db2.gz PTHSUGJFUZRNPP-RHSMWYFYSA-N 2 1 325.884 3.356 20 0 EGADMP CCCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000092043471 454508138 /nfs/dbraw/zinc/50/81/38/454508138.db2.gz VXBIFAPMOUCTCP-MSOLQXFVSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000092043471 454508143 /nfs/dbraw/zinc/50/81/43/454508143.db2.gz VXBIFAPMOUCTCP-MSOLQXFVSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000092043471 454508147 /nfs/dbraw/zinc/50/81/47/454508147.db2.gz VXBIFAPMOUCTCP-MSOLQXFVSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000092043471 454508151 /nfs/dbraw/zinc/50/81/51/454508151.db2.gz VXBIFAPMOUCTCP-MSOLQXFVSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1OC ZINC000092043493 454508564 /nfs/dbraw/zinc/50/85/64/454508564.db2.gz BXWQUDNDILBJLS-QZTJIDSGSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1OC ZINC000092043493 454508569 /nfs/dbraw/zinc/50/85/69/454508569.db2.gz BXWQUDNDILBJLS-QZTJIDSGSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OC ZINC000092043493 454508576 /nfs/dbraw/zinc/50/85/76/454508576.db2.gz BXWQUDNDILBJLS-QZTJIDSGSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1OC ZINC000092043493 454508579 /nfs/dbraw/zinc/50/85/79/454508579.db2.gz BXWQUDNDILBJLS-QZTJIDSGSA-N 2 1 332.488 3.400 20 0 EGADMP C[N@H+](Cc1ccc(Oc2cnccn2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253890 454542356 /nfs/dbraw/zinc/54/23/56/454542356.db2.gz UPWVNMGZOXPNHE-QGZVFWFLSA-N 2 1 326.444 3.043 20 0 EGADMP C[NH+](Cc1ccc(Oc2cnccn2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253890 454542363 /nfs/dbraw/zinc/54/23/63/454542363.db2.gz UPWVNMGZOXPNHE-QGZVFWFLSA-N 2 1 326.444 3.043 20 0 EGADMP C[NH+](Cc1ccc(Oc2cnccn2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253890 454542367 /nfs/dbraw/zinc/54/23/67/454542367.db2.gz UPWVNMGZOXPNHE-QGZVFWFLSA-N 2 1 326.444 3.043 20 0 EGADMP C[C@H]1C[C@@H](Nc2cc[nH+]c(N(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000080230908 454552900 /nfs/dbraw/zinc/55/29/00/454552900.db2.gz BVNCOHYABLVIOU-RDJZCZTQSA-N 2 1 325.460 3.008 20 0 EGADMP C[C@H]1C[C@@H](Nc2cc[nH+]c(N(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000080230908 454552905 /nfs/dbraw/zinc/55/29/05/454552905.db2.gz BVNCOHYABLVIOU-RDJZCZTQSA-N 2 1 325.460 3.008 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccoc2C)CC1 ZINC000092438743 454566383 /nfs/dbraw/zinc/56/63/83/454566383.db2.gz GQQLCIRVWZFWDT-UHFFFAOYSA-N 2 1 327.472 3.362 20 0 EGADMP CC(C)[NH+]1CCC([N@H+](C)CCc2nc(-c3ccccc3)no2)CC1 ZINC000074353308 454570718 /nfs/dbraw/zinc/57/07/18/454570718.db2.gz RRPPEHJQNCVSFI-UHFFFAOYSA-N 2 1 328.460 3.084 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2nc(-c3ccccc3)no2)CC1 ZINC000074353308 454570726 /nfs/dbraw/zinc/57/07/26/454570726.db2.gz RRPPEHJQNCVSFI-UHFFFAOYSA-N 2 1 328.460 3.084 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000104346197 454582876 /nfs/dbraw/zinc/58/28/76/454582876.db2.gz JBYUGRNUASTPRZ-MRXNPFEDSA-N 2 1 332.835 3.339 20 0 EGADMP CCN1CCCC[C@@H]1C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000104346197 454582883 /nfs/dbraw/zinc/58/28/83/454582883.db2.gz JBYUGRNUASTPRZ-MRXNPFEDSA-N 2 1 332.835 3.339 20 0 EGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3c(F)cccc3F)CC2)C[C@H](C)O1 ZINC000092587560 454590527 /nfs/dbraw/zinc/59/05/27/454590527.db2.gz LOMUGRQMOHKVLW-GJZGRUSLSA-N 2 1 338.442 3.286 20 0 EGADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134937149 454612228 /nfs/dbraw/zinc/61/22/28/454612228.db2.gz LJPLLMZCDFDARJ-XLIONFOSSA-N 2 1 328.456 3.061 20 0 EGADMP CC(=O)Oc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134937149 454612230 /nfs/dbraw/zinc/61/22/30/454612230.db2.gz LJPLLMZCDFDARJ-XLIONFOSSA-N 2 1 328.456 3.061 20 0 EGADMP CC(=O)Oc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134937149 454612233 /nfs/dbraw/zinc/61/22/33/454612233.db2.gz LJPLLMZCDFDARJ-XLIONFOSSA-N 2 1 328.456 3.061 20 0 EGADMP Nc1ccc(-c2cccc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000634994370 460644582 /nfs/dbraw/zinc/64/45/82/460644582.db2.gz ALWFOEHZIBDWAH-ZWKOTPCHSA-N 2 1 336.483 3.152 20 0 EGADMP C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820908 454639922 /nfs/dbraw/zinc/63/99/22/454639922.db2.gz NDYQKNPNCRAIQA-INIZCTEOSA-N 2 1 347.503 3.350 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(C[NH+](CC)C(C)C)cc1 ZINC000066139369 454659641 /nfs/dbraw/zinc/65/96/41/454659641.db2.gz ZRUKEWPSWNGEEO-QGZVFWFLSA-N 2 1 333.520 3.377 20 0 EGADMP CC[C@@H](C)[NH+](C)CCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000066139369 454659644 /nfs/dbraw/zinc/65/96/44/454659644.db2.gz ZRUKEWPSWNGEEO-QGZVFWFLSA-N 2 1 333.520 3.377 20 0 EGADMP CC[C@@H](C)[NH+](C)CCNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000066139369 454659646 /nfs/dbraw/zinc/65/96/46/454659646.db2.gz ZRUKEWPSWNGEEO-QGZVFWFLSA-N 2 1 333.520 3.377 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C(C)C)C(C)C)CC1 ZINC000052208998 454661098 /nfs/dbraw/zinc/66/10/98/454661098.db2.gz UUDBZXGJIVDLMI-UHFFFAOYSA-N 2 1 325.541 3.076 20 0 EGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OC(F)F ZINC000093088979 454679718 /nfs/dbraw/zinc/67/97/18/454679718.db2.gz ZKUHEGCANRQBDT-UHFFFAOYSA-N 2 1 328.403 3.070 20 0 EGADMP CCOc1c(C[N@@H+](C)CC2CC[NH+](C)CC2)c(C)nn1CC(C)C ZINC000093088617 454680535 /nfs/dbraw/zinc/68/05/35/454680535.db2.gz ZFDFYSXIMUJPQX-UHFFFAOYSA-N 2 1 336.524 3.020 20 0 EGADMP C[N@@H+](CCN1CC[NH+](C[C@@H]2CC=CCC2)CC1)Cc1ccccc1 ZINC000093104892 454682513 /nfs/dbraw/zinc/68/25/13/454682513.db2.gz LRKBAGYVLYQTKB-OAQYLSRUSA-N 2 1 327.516 3.092 20 0 EGADMP CC1CCC([NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000093104933 454682927 /nfs/dbraw/zinc/68/29/27/454682927.db2.gz SGEUGZWWRSEUFQ-UHFFFAOYSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C(C)(C)C)s3)C2)CC1 ZINC000093133127 454686825 /nfs/dbraw/zinc/68/68/25/454686825.db2.gz TVILQCWXZZKPGL-INIZCTEOSA-N 2 1 335.561 3.257 20 0 EGADMP C[C@@H](NCC[NH+]1CCCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000123951299 454689761 /nfs/dbraw/zinc/68/97/61/454689761.db2.gz NRBYWZHQYWDCAY-GOSISDBHSA-N 2 1 333.520 3.154 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1)c1ccccc1 ZINC000124327633 454719002 /nfs/dbraw/zinc/71/90/02/454719002.db2.gz ITNZTCMHOKCAFW-ICSRJNTNSA-N 2 1 345.531 3.164 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000124327633 454719005 /nfs/dbraw/zinc/71/90/05/454719005.db2.gz ITNZTCMHOKCAFW-ICSRJNTNSA-N 2 1 345.531 3.164 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC000124327633 454719006 /nfs/dbraw/zinc/71/90/06/454719006.db2.gz ITNZTCMHOKCAFW-ICSRJNTNSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccn1 ZINC000124334844 454719737 /nfs/dbraw/zinc/71/97/37/454719737.db2.gz CSXKJCWXIKDPAE-FQEVSTJZSA-N 2 1 332.536 3.032 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C2CCC3(CC2)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000161798007 454724663 /nfs/dbraw/zinc/72/46/63/454724663.db2.gz GJFWSQFIMUKKSA-PXNSSMCTSA-N 2 1 344.499 3.315 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C2CCC3(CC2)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000161798007 454724667 /nfs/dbraw/zinc/72/46/67/454724667.db2.gz GJFWSQFIMUKKSA-PXNSSMCTSA-N 2 1 344.499 3.315 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000124371642 454725130 /nfs/dbraw/zinc/72/51/30/454725130.db2.gz VZLFPEJLLWFCTJ-GOSISDBHSA-N 2 1 333.545 3.087 20 0 EGADMP Cc1nccn1CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000161904366 454735511 /nfs/dbraw/zinc/73/55/11/454735511.db2.gz VDWQTMQOTXUSKO-HXUWFJFHSA-N 2 1 332.536 3.416 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000161904366 454735515 /nfs/dbraw/zinc/73/55/15/454735515.db2.gz VDWQTMQOTXUSKO-HXUWFJFHSA-N 3 1 332.536 3.416 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000161904366 454735518 /nfs/dbraw/zinc/73/55/18/454735518.db2.gz VDWQTMQOTXUSKO-HXUWFJFHSA-N 3 1 332.536 3.416 20 0 EGADMP C[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000138595356 454795176 /nfs/dbraw/zinc/79/51/76/454795176.db2.gz RCFHHHRQFNTBFO-KRWDZBQOSA-N 2 1 338.455 3.286 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000635013589 460655590 /nfs/dbraw/zinc/65/55/90/460655590.db2.gz ZMNRCPIHEQKIGO-IHPCNDPISA-N 3 1 329.532 3.265 20 0 EGADMP C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000635013589 460655596 /nfs/dbraw/zinc/65/55/96/460655596.db2.gz ZMNRCPIHEQKIGO-IHPCNDPISA-N 2 1 329.532 3.265 20 0 EGADMP C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000635013589 460655602 /nfs/dbraw/zinc/65/56/02/460655602.db2.gz ZMNRCPIHEQKIGO-IHPCNDPISA-N 2 1 329.532 3.265 20 0 EGADMP C[C@H]1C[N@@H+](C)[C@@H](C)C[C@H]1N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000163239480 454833268 /nfs/dbraw/zinc/83/32/68/454833268.db2.gz FAPXZPGYVLJTOU-DSVUQQCSSA-N 3 1 329.532 3.358 20 0 EGADMP C[C@H]1C[NH+](C)[C@@H](C)C[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000163239480 454833273 /nfs/dbraw/zinc/83/32/73/454833273.db2.gz FAPXZPGYVLJTOU-DSVUQQCSSA-N 3 1 329.532 3.358 20 0 EGADMP C[C@H]1C[NH+](C)[C@@H](C)C[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000163239480 454833275 /nfs/dbraw/zinc/83/32/75/454833275.db2.gz FAPXZPGYVLJTOU-DSVUQQCSSA-N 3 1 329.532 3.358 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000163262568 454834346 /nfs/dbraw/zinc/83/43/46/454834346.db2.gz YPNBFZGMDIYSLS-NSHGMRRFSA-N 2 1 345.531 3.276 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000163262568 454834348 /nfs/dbraw/zinc/83/43/48/454834348.db2.gz YPNBFZGMDIYSLS-NSHGMRRFSA-N 2 1 345.531 3.276 20 0 EGADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000154429357 454895590 /nfs/dbraw/zinc/89/55/90/454895590.db2.gz KRCZGGPBBWNLNP-CQSZACIVSA-N 2 1 329.941 3.470 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(N(C)C)nc3ccccc23)[C@H](C)C1 ZINC000154456733 454898911 /nfs/dbraw/zinc/89/89/11/454898911.db2.gz NIWIRZWFTUENFH-QAPCUYQASA-N 2 1 326.488 3.121 20 0 EGADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000165884565 454905364 /nfs/dbraw/zinc/90/53/64/454905364.db2.gz YRLORWGMBOFHCI-OXQOHEQNSA-N 2 1 345.531 3.441 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(F)c(Br)c2)CC[N@H+]1C ZINC000178008947 454926616 /nfs/dbraw/zinc/92/66/16/454926616.db2.gz YSAXEVFKVQBRSQ-DGCLKSJQSA-N 2 1 329.257 3.203 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(O)ccc1Br ZINC000178164733 454939996 /nfs/dbraw/zinc/93/99/96/454939996.db2.gz KSHVDDGQMMWHBK-LLVKDONJSA-N 2 1 338.249 3.086 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CC2)[C@H](C)C1 ZINC000127218151 454946010 /nfs/dbraw/zinc/94/60/10/454946010.db2.gz MHNCNSJXNCNDPV-QUCCMNQESA-N 2 1 330.516 3.445 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000178634828 454965542 /nfs/dbraw/zinc/96/55/42/454965542.db2.gz BZMPQWCSKQSLQV-WIYYLYMNSA-N 3 1 329.532 3.219 20 0 EGADMP CCN1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000178634828 454965543 /nfs/dbraw/zinc/96/55/43/454965543.db2.gz BZMPQWCSKQSLQV-WIYYLYMNSA-N 2 1 329.532 3.219 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000178797490 454978404 /nfs/dbraw/zinc/97/84/04/454978404.db2.gz XCIZONKCELMMKE-SFHVURJKSA-N 2 1 346.519 3.238 20 0 EGADMP C[C@H]1CCN(C(=O)CCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000178840797 454983438 /nfs/dbraw/zinc/98/34/38/454983438.db2.gz VVIWRNLJLQBMKW-SFHVURJKSA-N 2 1 331.504 3.019 20 0 EGADMP CC[C@H](NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000151802087 455032223 /nfs/dbraw/zinc/03/22/23/455032223.db2.gz ZNYOPLONPFBLSU-RTWAWAEBSA-N 2 1 342.458 3.286 20 0 EGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128280589 455041884 /nfs/dbraw/zinc/04/18/84/455041884.db2.gz XQSBLNVWQREZIS-HNNXBMFYSA-N 2 1 338.565 3.253 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000151961980 455054436 /nfs/dbraw/zinc/05/44/36/455054436.db2.gz PSUGPOBEZZPNID-OAHLLOKOSA-N 2 1 338.517 3.005 20 0 EGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccnc(Cl)c3)CC2)C[C@@H](C)O1 ZINC000171304066 455060488 /nfs/dbraw/zinc/06/04/88/455060488.db2.gz GTMWBEAZIRJNRE-HUUCEWRRSA-N 2 1 337.895 3.056 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000179678396 455066223 /nfs/dbraw/zinc/06/62/23/455066223.db2.gz ICJDYFUMRHUUHZ-UHFFFAOYSA-N 2 1 339.911 3.305 20 0 EGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000129062672 455096956 /nfs/dbraw/zinc/09/69/56/455096956.db2.gz VJZUPKAGDKLCCL-WDEREUQCSA-N 2 1 330.259 3.134 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129280593 455104895 /nfs/dbraw/zinc/10/48/95/455104895.db2.gz NESNMIKPUJGJIH-CVEARBPZSA-N 2 1 335.458 3.115 20 0 EGADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000623655928 460663089 /nfs/dbraw/zinc/66/30/89/460663089.db2.gz IULPBJDXOSUKIV-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000623655928 460663092 /nfs/dbraw/zinc/66/30/92/460663092.db2.gz IULPBJDXOSUKIV-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP C[S@@](=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000119046047 455122765 /nfs/dbraw/zinc/12/27/65/455122765.db2.gz HUZXTHSQNXGQKK-QHCPKHFHSA-N 2 1 334.529 3.311 20 0 EGADMP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(OC(F)F)c1 ZINC000172191955 455133315 /nfs/dbraw/zinc/13/33/15/455133315.db2.gz NTDMTRZGAVYFDH-LBPRGKRZSA-N 2 1 339.386 3.227 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cnn1C ZINC000180158207 455141663 /nfs/dbraw/zinc/14/16/63/455141663.db2.gz VBLQCBHXVSXCTI-CEDBRAGKSA-N 2 1 338.499 3.290 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N1CCC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000172417745 455152601 /nfs/dbraw/zinc/15/26/01/455152601.db2.gz JNQZCOZLMZBFQJ-FQEVSTJZSA-N 2 1 343.515 3.156 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000172417745 455152602 /nfs/dbraw/zinc/15/26/02/455152602.db2.gz JNQZCOZLMZBFQJ-FQEVSTJZSA-N 2 1 343.515 3.156 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1 ZINC000172417745 455152605 /nfs/dbraw/zinc/15/26/05/455152605.db2.gz JNQZCOZLMZBFQJ-FQEVSTJZSA-N 2 1 343.515 3.156 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000172417745 455152607 /nfs/dbraw/zinc/15/26/07/455152607.db2.gz JNQZCOZLMZBFQJ-FQEVSTJZSA-N 2 1 343.515 3.156 20 0 EGADMP CCOC(=O)CCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156919119 455156939 /nfs/dbraw/zinc/15/69/39/455156939.db2.gz PARHOYLRCNLMEW-MJGOQNOKSA-N 2 1 332.488 3.315 20 0 EGADMP CCOC(=O)CCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156919119 455156941 /nfs/dbraw/zinc/15/69/41/455156941.db2.gz PARHOYLRCNLMEW-MJGOQNOKSA-N 2 1 332.488 3.315 20 0 EGADMP CCOC(=O)CCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156919119 455156942 /nfs/dbraw/zinc/15/69/42/455156942.db2.gz PARHOYLRCNLMEW-MJGOQNOKSA-N 2 1 332.488 3.315 20 0 EGADMP CCOC(=O)CCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156919119 455156944 /nfs/dbraw/zinc/15/69/44/455156944.db2.gz PARHOYLRCNLMEW-MJGOQNOKSA-N 2 1 332.488 3.315 20 0 EGADMP CC(C)CC[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156934060 455157792 /nfs/dbraw/zinc/15/77/92/455157792.db2.gz JSLXWKGUQYZPAX-PXNSSMCTSA-N 2 1 345.531 3.298 20 0 EGADMP CSCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000237331974 455174744 /nfs/dbraw/zinc/17/47/44/455174744.db2.gz MVENRRFLNLEQHO-PBHICJAKSA-N 2 1 335.517 3.080 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)[NH+](C)C ZINC000157600427 455212095 /nfs/dbraw/zinc/21/20/95/455212095.db2.gz ABFRLDXVFIOYOZ-IEBWSBKVSA-N 2 1 337.552 3.076 20 0 EGADMP C[N@@H+](C[C@@H](O)Cc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245431909 455296512 /nfs/dbraw/zinc/29/65/12/455296512.db2.gz AZUPXUYNUSYJOA-VXKWHMMOSA-N 2 1 338.495 3.044 20 0 EGADMP C[NH+](C[C@@H](O)Cc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245431909 455296514 /nfs/dbraw/zinc/29/65/14/455296514.db2.gz AZUPXUYNUSYJOA-VXKWHMMOSA-N 2 1 338.495 3.044 20 0 EGADMP C[NH+](C[C@@H](O)Cc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245431909 455296517 /nfs/dbraw/zinc/29/65/17/455296517.db2.gz AZUPXUYNUSYJOA-VXKWHMMOSA-N 2 1 338.495 3.044 20 0 EGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC[N@@H+]1C ZINC000181249416 455307539 /nfs/dbraw/zinc/30/75/39/455307539.db2.gz XABASHUGIPSPTK-BFHYXJOUSA-N 2 1 325.859 3.130 20 0 EGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC[N@H+]1C ZINC000181249416 455307543 /nfs/dbraw/zinc/30/75/43/455307543.db2.gz XABASHUGIPSPTK-BFHYXJOUSA-N 2 1 325.859 3.130 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Cc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000245580240 455335224 /nfs/dbraw/zinc/33/52/24/455335224.db2.gz GVEHFAAUQMMCPF-RYRKJORJSA-N 2 1 334.504 3.202 20 0 EGADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1nc(-c2ccccc2)no1 ZINC000245582391 455335282 /nfs/dbraw/zinc/33/52/82/455335282.db2.gz HXTNYHYQTLHDPK-WBTNSWJXSA-N 2 1 328.460 3.158 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)CC[N@H+]1C ZINC000181596095 455359833 /nfs/dbraw/zinc/35/98/33/455359833.db2.gz NEVVVPLGVOHRKL-CJNGLKHVSA-N 2 1 330.394 3.338 20 0 EGADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000185161342 455514114 /nfs/dbraw/zinc/51/41/14/455514114.db2.gz DPJIOQJMSFNHCH-UHFFFAOYSA-N 2 1 349.482 3.364 20 0 EGADMP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCSCC1 ZINC000191831810 455524249 /nfs/dbraw/zinc/52/42/49/455524249.db2.gz WTLRVJLMMGJCKW-PXNSSMCTSA-N 2 1 348.556 3.399 20 0 EGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCSCC1 ZINC000191831810 455524252 /nfs/dbraw/zinc/52/42/52/455524252.db2.gz WTLRVJLMMGJCKW-PXNSSMCTSA-N 2 1 348.556 3.399 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC[N@H+]1C ZINC000247037101 455548607 /nfs/dbraw/zinc/54/86/07/455548607.db2.gz LNKPSNUFJLEIOI-KBAYOESNSA-N 2 1 347.503 3.325 20 0 EGADMP c1c[nH]c([C@H]2CCC[N@@H+]2CCOCC[NH+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000267476374 455552084 /nfs/dbraw/zinc/55/20/84/455552084.db2.gz ZHAWNQKVWPWZJK-BGYRXZFFSA-N 2 1 342.487 3.333 20 0 EGADMP c1c[nH]c([C@H]2CCC[NH+]2CCOCC[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000267476374 455552089 /nfs/dbraw/zinc/55/20/89/455552089.db2.gz ZHAWNQKVWPWZJK-BGYRXZFFSA-N 2 1 342.487 3.333 20 0 EGADMP c1c[nH]c([C@H]2CCC[NH+]2CCOCC[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000267476374 455552091 /nfs/dbraw/zinc/55/20/91/455552091.db2.gz ZHAWNQKVWPWZJK-BGYRXZFFSA-N 2 1 342.487 3.333 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CCC2OCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000267961540 455570743 /nfs/dbraw/zinc/57/07/43/455570743.db2.gz SVYWHAYLTFPPSY-MJGOQNOKSA-N 2 1 332.488 3.124 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CCC2OCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000267961540 455570745 /nfs/dbraw/zinc/57/07/45/455570745.db2.gz SVYWHAYLTFPPSY-MJGOQNOKSA-N 2 1 332.488 3.124 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)CCC2OCCCO2)CC[NH+]1Cc1ccccc1 ZINC000267961540 455570751 /nfs/dbraw/zinc/57/07/51/455570751.db2.gz SVYWHAYLTFPPSY-MJGOQNOKSA-N 2 1 332.488 3.124 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2OCCCO2)CC[NH+]1Cc1ccccc1 ZINC000267961540 455570754 /nfs/dbraw/zinc/57/07/54/455570754.db2.gz SVYWHAYLTFPPSY-MJGOQNOKSA-N 2 1 332.488 3.124 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185687977 455596844 /nfs/dbraw/zinc/59/68/44/455596844.db2.gz UYQSOCBRYBRFAF-FBBABVLZSA-N 2 1 330.516 3.223 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000185712363 455603061 /nfs/dbraw/zinc/60/30/61/455603061.db2.gz NDDABHOBQXAIPM-ROUUACIJSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000185712363 455603067 /nfs/dbraw/zinc/60/30/67/455603067.db2.gz NDDABHOBQXAIPM-ROUUACIJSA-N 2 1 343.515 3.485 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(Br)c2)CCCO1 ZINC000277735664 455649965 /nfs/dbraw/zinc/64/99/65/455649965.db2.gz JWHRQUMMCHODCV-AWEZNQCLSA-N 2 1 341.293 3.040 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000284273713 455660642 /nfs/dbraw/zinc/66/06/42/455660642.db2.gz HAZVESDGSCOKQM-INIZCTEOSA-N 2 1 338.293 3.369 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000192658716 455663327 /nfs/dbraw/zinc/66/33/27/455663327.db2.gz PNTYTADILDPETD-ZBFHGGJFSA-N 2 1 346.471 3.216 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000192658716 455663328 /nfs/dbraw/zinc/66/33/28/455663328.db2.gz PNTYTADILDPETD-ZBFHGGJFSA-N 2 1 346.471 3.216 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000271518450 455668598 /nfs/dbraw/zinc/66/85/98/455668598.db2.gz PYGZOXHLQTWCHJ-PVTKRXDGSA-N 2 1 331.287 3.488 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000271518450 455668600 /nfs/dbraw/zinc/66/86/00/455668600.db2.gz PYGZOXHLQTWCHJ-PVTKRXDGSA-N 2 1 331.287 3.488 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H](O)c1c(Cl)cccc1Cl ZINC000271518447 455668736 /nfs/dbraw/zinc/66/87/36/455668736.db2.gz PYGZOXHLQTWCHJ-JBBSTSQOSA-N 2 1 331.287 3.488 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](O)c1c(Cl)cccc1Cl ZINC000271518447 455668739 /nfs/dbraw/zinc/66/87/39/455668739.db2.gz PYGZOXHLQTWCHJ-JBBSTSQOSA-N 2 1 331.287 3.488 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2cccc(OC)c2)[C@@H](C)C1 ZINC000271523718 455671513 /nfs/dbraw/zinc/67/15/13/455671513.db2.gz VJBVBINQAWACET-GHTZIAJQSA-N 2 1 348.531 3.354 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2OC)[C@H](C)C1 ZINC000248025871 455672147 /nfs/dbraw/zinc/67/21/47/455672147.db2.gz PANYCWBUDIPUEX-LMMKCTJWSA-N 2 1 334.504 3.483 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2OC)[C@H](C)C1 ZINC000248025871 455672148 /nfs/dbraw/zinc/67/21/48/455672148.db2.gz PANYCWBUDIPUEX-LMMKCTJWSA-N 2 1 334.504 3.483 20 0 EGADMP Cc1ccncc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000271538894 455677516 /nfs/dbraw/zinc/67/75/16/455677516.db2.gz YPPOSLQNSVSBSB-ZWKOTPCHSA-N 2 1 339.483 3.462 20 0 EGADMP Cc1ccncc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000271538894 455677520 /nfs/dbraw/zinc/67/75/20/455677520.db2.gz YPPOSLQNSVSBSB-ZWKOTPCHSA-N 2 1 339.483 3.462 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000271688504 455722489 /nfs/dbraw/zinc/72/24/89/455722489.db2.gz JTVJTEOYNSZRED-BDJLRTHQSA-N 2 1 331.287 3.489 20 0 EGADMP C[C@H](CCC1CC1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000186329678 455745077 /nfs/dbraw/zinc/74/50/77/455745077.db2.gz GZEMLRNYGKSKOE-UZLBHIALSA-N 2 1 343.515 3.052 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000268998320 455759262 /nfs/dbraw/zinc/75/92/62/455759262.db2.gz LCPKGAOULRWUBN-HNNXBMFYSA-N 2 1 343.471 3.311 20 0 EGADMP C[C@@H](CC[S@@](C)=O)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285007277 455776634 /nfs/dbraw/zinc/77/66/34/455776634.db2.gz GZSHFYCKDLGRDV-IGOTWKNGSA-N 2 1 336.545 3.176 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1ccccc1 ZINC000285403011 455836819 /nfs/dbraw/zinc/83/68/19/455836819.db2.gz VVTQIBADNWVBRQ-VQIMIIECSA-N 2 1 348.450 3.117 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000285505244 455860654 /nfs/dbraw/zinc/86/06/54/455860654.db2.gz CYBOLDXKAKDEKS-XHSDSOJGSA-N 2 1 345.487 3.036 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000285505244 455860658 /nfs/dbraw/zinc/86/06/58/455860658.db2.gz CYBOLDXKAKDEKS-XHSDSOJGSA-N 2 1 345.487 3.036 20 0 EGADMP Cc1cnn(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000285602403 455879889 /nfs/dbraw/zinc/87/98/89/455879889.db2.gz YIEOLMGBEKVDML-CALCHBBNSA-N 2 1 340.515 3.496 20 0 EGADMP CCC[NH+]1CCC(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272271693 455898522 /nfs/dbraw/zinc/89/85/22/455898522.db2.gz BOGPRVJTUZIYGO-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272271693 455898526 /nfs/dbraw/zinc/89/85/26/455898526.db2.gz BOGPRVJTUZIYGO-QUCCMNQESA-N 3 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272271693 455898530 /nfs/dbraw/zinc/89/85/30/455898530.db2.gz BOGPRVJTUZIYGO-QUCCMNQESA-N 3 1 329.532 3.361 20 0 EGADMP OCc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000285749049 455909331 /nfs/dbraw/zinc/90/93/31/455909331.db2.gz YQCFTFMWJVRLGG-JOCHJYFZSA-N 2 1 336.479 3.277 20 0 EGADMP OCc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000285749049 455909335 /nfs/dbraw/zinc/90/93/35/455909335.db2.gz YQCFTFMWJVRLGG-JOCHJYFZSA-N 2 1 336.479 3.277 20 0 EGADMP OCc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000285749049 455909341 /nfs/dbraw/zinc/90/93/41/455909341.db2.gz YQCFTFMWJVRLGG-JOCHJYFZSA-N 2 1 336.479 3.277 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C(C)=O)cc2)CC1 ZINC000296415807 455931982 /nfs/dbraw/zinc/93/19/82/455931982.db2.gz XADNGHBXWIDMMZ-UHFFFAOYSA-N 2 1 346.515 3.460 20 0 EGADMP C[NH2+][C@@H](C)Cc1noc([C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000261797984 455950424 /nfs/dbraw/zinc/95/04/24/455950424.db2.gz OYSJNPAPLYGJDF-JKSUJKDBSA-N 2 1 342.487 3.236 20 0 EGADMP CCn1cc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000286053888 455968802 /nfs/dbraw/zinc/96/88/02/455968802.db2.gz IUUOHZWOJLKHNH-HXUWFJFHSA-N 2 1 340.515 3.336 20 0 EGADMP CCn1cc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000286053888 455968804 /nfs/dbraw/zinc/96/88/04/455968804.db2.gz IUUOHZWOJLKHNH-HXUWFJFHSA-N 2 1 340.515 3.336 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000188006963 455979252 /nfs/dbraw/zinc/97/92/52/455979252.db2.gz AKNHZPRLQLIPEZ-ZRGWGRIASA-N 2 1 335.923 3.016 20 0 EGADMP C[NH2+]CCC1CC[NH+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 ZINC000261983260 455981303 /nfs/dbraw/zinc/98/13/03/455981303.db2.gz IYDSCTNXVNEIOJ-GFCCVEGCSA-N 2 1 348.516 3.396 20 0 EGADMP C[C@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000272555418 455993145 /nfs/dbraw/zinc/99/31/45/455993145.db2.gz FXRMBFOWRJCLSP-DYXWJJEUSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000272555418 455993148 /nfs/dbraw/zinc/99/31/48/455993148.db2.gz FXRMBFOWRJCLSP-DYXWJJEUSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000272555418 455993155 /nfs/dbraw/zinc/99/31/55/455993155.db2.gz FXRMBFOWRJCLSP-DYXWJJEUSA-N 3 1 329.532 3.219 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC2(COc3cccc(COC)c3)CCC2)C1 ZINC000262092365 455996097 /nfs/dbraw/zinc/99/60/97/455996097.db2.gz HGYPLMCTBJUOQF-IBGZPJMESA-N 2 1 346.515 3.314 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000262179752 456008491 /nfs/dbraw/zinc/00/84/91/456008491.db2.gz WLOMAUGRQUMSEO-NEPJUHHUSA-N 2 1 345.256 3.026 20 0 EGADMP OCCC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000272608840 456013111 /nfs/dbraw/zinc/01/31/11/456013111.db2.gz VSVRRUZENPWLBV-PCCBWWKXSA-N 2 1 342.527 3.429 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000286308054 456020078 /nfs/dbraw/zinc/02/00/78/456020078.db2.gz XALTULDYYHDXCV-RDJZCZTQSA-N 2 1 334.504 3.265 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)cc1)C(C)C ZINC000272640821 456023373 /nfs/dbraw/zinc/02/33/73/456023373.db2.gz OHKWAARXWDTGMA-UYAOXDASSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1)C(C)C ZINC000272640821 456023375 /nfs/dbraw/zinc/02/33/75/456023375.db2.gz OHKWAARXWDTGMA-UYAOXDASSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1)C(C)C ZINC000272640821 456023378 /nfs/dbraw/zinc/02/33/78/456023378.db2.gz OHKWAARXWDTGMA-UYAOXDASSA-N 2 1 343.515 3.083 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)cc2)C1 ZINC000262374950 456029291 /nfs/dbraw/zinc/02/92/91/456029291.db2.gz KORIAUQAQHDMIU-BQFCYCMXSA-N 2 1 329.488 3.245 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CSCCS1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272668525 456032688 /nfs/dbraw/zinc/03/26/88/456032688.db2.gz OTHWLXJLOXXNHV-RYQLBKOJSA-N 2 1 336.570 3.335 20 0 EGADMP COc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1Br ZINC000221785922 456043892 /nfs/dbraw/zinc/04/38/92/456043892.db2.gz OCDHDEZPMUIGCX-UHFFFAOYSA-N 2 1 329.282 3.278 20 0 EGADMP COc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1Br ZINC000221785922 456043896 /nfs/dbraw/zinc/04/38/96/456043896.db2.gz OCDHDEZPMUIGCX-UHFFFAOYSA-N 2 1 329.282 3.278 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000280884198 456072368 /nfs/dbraw/zinc/07/23/68/456072368.db2.gz DXYYLJAAIPBOAC-KRWDZBQOSA-N 2 1 349.544 3.337 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000280884198 456072370 /nfs/dbraw/zinc/07/23/70/456072370.db2.gz DXYYLJAAIPBOAC-KRWDZBQOSA-N 2 1 349.544 3.337 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000262987459 456074614 /nfs/dbraw/zinc/07/46/14/456074614.db2.gz NIFMPGSMZSGCDZ-ICSRJNTNSA-N 2 1 331.504 3.051 20 0 EGADMP C[C@@H]1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000263219957 456111239 /nfs/dbraw/zinc/11/12/39/456111239.db2.gz LSGJIHYSBLLATI-QFUCXCTJSA-N 2 1 343.515 3.017 20 0 EGADMP COCc1cc(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000297335141 456189305 /nfs/dbraw/zinc/18/93/05/456189305.db2.gz DTBUFARUJZUHFA-SFHVURJKSA-N 2 1 343.471 3.213 20 0 EGADMP Cc1cccc(C[C@H](CO)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000189015177 456200682 /nfs/dbraw/zinc/20/06/82/456200682.db2.gz RYZCTBZOLVPHHT-JOCHJYFZSA-N 2 1 338.495 3.153 20 0 EGADMP C[C@H]1CCC[N@H+](Cc2ccc(CNc3nc(N(C)C)cc[nH+]3)cc2)C1 ZINC000301739075 456202211 /nfs/dbraw/zinc/20/22/11/456202211.db2.gz SVNCHSBTDKRNLF-INIZCTEOSA-N 2 1 339.487 3.387 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNc3nc(N(C)C)cc[nH+]3)cc2)C1 ZINC000301739075 456202219 /nfs/dbraw/zinc/20/22/19/456202219.db2.gz SVNCHSBTDKRNLF-INIZCTEOSA-N 2 1 339.487 3.387 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000273195133 456210369 /nfs/dbraw/zinc/21/03/69/456210369.db2.gz IULHXVUWMIIFFM-JKSUJKDBSA-N 2 1 347.503 3.185 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000263789049 456223808 /nfs/dbraw/zinc/22/38/08/456223808.db2.gz HEBMVDZEIRDPJG-UHFFFAOYSA-N 2 1 348.244 3.020 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189149017 456240602 /nfs/dbraw/zinc/24/06/02/456240602.db2.gz ZNIPHEZWIWOFAS-VXKWHMMOSA-N 2 1 343.559 3.261 20 0 EGADMP CNC(=O)c1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000237188187 456245160 /nfs/dbraw/zinc/24/51/60/456245160.db2.gz TZQVPBOEKVRRSM-UHFFFAOYSA-N 2 1 339.483 3.176 20 0 EGADMP COc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000281612149 456275045 /nfs/dbraw/zinc/27/50/45/456275045.db2.gz KSBZBKXCMSQFIQ-QGZVFWFLSA-N 2 1 342.487 3.091 20 0 EGADMP COc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000281612149 456275048 /nfs/dbraw/zinc/27/50/48/456275048.db2.gz KSBZBKXCMSQFIQ-QGZVFWFLSA-N 2 1 342.487 3.091 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000290305528 456285376 /nfs/dbraw/zinc/28/53/76/456285376.db2.gz BRNNDKIMGZFSTA-DYESRHJHSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000290305528 456285382 /nfs/dbraw/zinc/28/53/82/456285382.db2.gz BRNNDKIMGZFSTA-DYESRHJHSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000290305528 456285391 /nfs/dbraw/zinc/28/53/91/456285391.db2.gz BRNNDKIMGZFSTA-DYESRHJHSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000290305528 456285398 /nfs/dbraw/zinc/28/53/98/456285398.db2.gz BRNNDKIMGZFSTA-DYESRHJHSA-N 2 1 339.483 3.433 20 0 EGADMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340171435 456286896 /nfs/dbraw/zinc/28/68/96/456286896.db2.gz DTTDWEVGGBAWSG-UYAOXDASSA-N 2 1 326.488 3.005 20 0 EGADMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340171435 456286907 /nfs/dbraw/zinc/28/69/07/456286907.db2.gz DTTDWEVGGBAWSG-UYAOXDASSA-N 2 1 326.488 3.005 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)s2)cn1 ZINC000290321914 456290211 /nfs/dbraw/zinc/29/02/11/456290211.db2.gz CZVIINAAGIENTC-MRXNPFEDSA-N 2 1 344.528 3.312 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)C[C@@H]1c1ccccc1 ZINC000340180244 456296374 /nfs/dbraw/zinc/29/63/74/456296374.db2.gz JFADEQGBFUKGTJ-RBUKOAKNSA-N 2 1 338.451 3.383 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)C[C@@H]1c1ccccc1 ZINC000340180244 456296378 /nfs/dbraw/zinc/29/63/78/456296378.db2.gz JFADEQGBFUKGTJ-RBUKOAKNSA-N 2 1 338.451 3.383 20 0 EGADMP CN(CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)CC(F)(F)F ZINC000340184000 456297190 /nfs/dbraw/zinc/29/71/90/456297190.db2.gz OQSBRPDDRZNKOA-DLBZAZTESA-N 2 1 343.437 3.296 20 0 EGADMP CN(CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)CC(F)(F)F ZINC000340184000 456297195 /nfs/dbraw/zinc/29/71/95/456297195.db2.gz OQSBRPDDRZNKOA-DLBZAZTESA-N 2 1 343.437 3.296 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000275760609 456306169 /nfs/dbraw/zinc/30/61/69/456306169.db2.gz SUUJOKQMAXMTCY-QIJUGHKUSA-N 2 1 338.495 3.233 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000275760609 456306176 /nfs/dbraw/zinc/30/61/76/456306176.db2.gz SUUJOKQMAXMTCY-QIJUGHKUSA-N 2 1 338.495 3.233 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1OC(F)F ZINC000290380021 456310096 /nfs/dbraw/zinc/31/00/96/456310096.db2.gz IBIGEALFMVSOPX-HUUCEWRRSA-N 2 1 340.414 3.213 20 0 EGADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1OC(F)F ZINC000290380021 456310102 /nfs/dbraw/zinc/31/01/02/456310102.db2.gz IBIGEALFMVSOPX-HUUCEWRRSA-N 2 1 340.414 3.213 20 0 EGADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1OC(F)F ZINC000290380021 456310108 /nfs/dbraw/zinc/31/01/08/456310108.db2.gz IBIGEALFMVSOPX-HUUCEWRRSA-N 2 1 340.414 3.213 20 0 EGADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340201353 456311295 /nfs/dbraw/zinc/31/12/95/456311295.db2.gz HAKHGOIAAYTZDK-BMFZPTHFSA-N 2 1 330.394 3.379 20 0 EGADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340201353 456311302 /nfs/dbraw/zinc/31/13/02/456311302.db2.gz HAKHGOIAAYTZDK-BMFZPTHFSA-N 2 1 330.394 3.379 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CO)c(F)c2)C[C@@H]1c1ccccc1 ZINC000340205306 456314954 /nfs/dbraw/zinc/31/49/54/456314954.db2.gz PGDWWFUISRQKMB-AZUAARDMSA-N 2 1 328.431 3.243 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CO)c(F)c2)C[C@@H]1c1ccccc1 ZINC000340205306 456314959 /nfs/dbraw/zinc/31/49/59/456314959.db2.gz PGDWWFUISRQKMB-AZUAARDMSA-N 2 1 328.431 3.243 20 0 EGADMP CC(C)COc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000342926244 456318830 /nfs/dbraw/zinc/31/88/30/456318830.db2.gz KWPPQPUQENIOGC-SESVDKBCSA-N 2 1 346.515 3.405 20 0 EGADMP CC(C)COc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000342926244 456318833 /nfs/dbraw/zinc/31/88/33/456318833.db2.gz KWPPQPUQENIOGC-SESVDKBCSA-N 2 1 346.515 3.405 20 0 EGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000340234924 456330601 /nfs/dbraw/zinc/33/06/01/456330601.db2.gz FTHPKLMMMUUVRL-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+](Cc1c[nH]c2nccnc12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290569389 456368020 /nfs/dbraw/zinc/36/80/20/456368020.db2.gz YJIBBMQITUPESP-SFHVURJKSA-N 2 1 349.482 3.302 20 0 EGADMP CC[NH+](Cc1c[nH]c2nccnc12)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290569389 456368028 /nfs/dbraw/zinc/36/80/28/456368028.db2.gz YJIBBMQITUPESP-SFHVURJKSA-N 2 1 349.482 3.302 20 0 EGADMP CC[NH+](Cc1c[nH]c2nccnc12)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290569389 456368032 /nfs/dbraw/zinc/36/80/32/456368032.db2.gz YJIBBMQITUPESP-SFHVURJKSA-N 2 1 349.482 3.302 20 0 EGADMP C[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccncc1F ZINC000340474005 456481504 /nfs/dbraw/zinc/48/15/04/456481504.db2.gz GBKNXHPAHUONBL-AEFFLSMTSA-N 2 1 327.447 3.436 20 0 EGADMP COc1cccc2cc([C@@H](C)[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)oc21 ZINC000282360022 456488853 /nfs/dbraw/zinc/48/88/53/456488853.db2.gz PRNKXTNEPPCDOT-OAHLLOKOSA-N 2 1 345.487 3.118 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000353127864 456508825 /nfs/dbraw/zinc/50/88/25/456508825.db2.gz KAIKVWXUBWMMEY-UHFFFAOYSA-N 2 1 345.397 3.225 20 0 EGADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)CC1(COC)CCC1 ZINC000291057043 456511983 /nfs/dbraw/zinc/51/19/83/456511983.db2.gz COXOSGKBLBJZSQ-UHFFFAOYSA-N 2 1 331.504 3.437 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000340604826 456565870 /nfs/dbraw/zinc/56/58/70/456565870.db2.gz WFONJNBDQMJNJN-INIZCTEOSA-N 2 1 332.410 3.048 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000340604826 456565879 /nfs/dbraw/zinc/56/58/79/456565879.db2.gz WFONJNBDQMJNJN-INIZCTEOSA-N 2 1 332.410 3.048 20 0 EGADMP CC(C)(C)OC(=O)CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310978905 456586326 /nfs/dbraw/zinc/58/63/26/456586326.db2.gz DQIRBTAIBUCJRL-RTBURBONSA-N 2 1 344.499 3.172 20 0 EGADMP CC(C)(C)OC(=O)CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310978905 456586327 /nfs/dbraw/zinc/58/63/27/456586327.db2.gz DQIRBTAIBUCJRL-RTBURBONSA-N 2 1 344.499 3.172 20 0 EGADMP CC(C)(C)OC(=O)CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310978905 456586329 /nfs/dbraw/zinc/58/63/29/456586329.db2.gz DQIRBTAIBUCJRL-RTBURBONSA-N 2 1 344.499 3.172 20 0 EGADMP O[C@@H]1CCCC[C@H]1[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000340690928 456628934 /nfs/dbraw/zinc/62/89/34/456628934.db2.gz KTXYPZRXVWADIE-NJDAHSKKSA-N 2 1 328.500 3.278 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000340690928 456628942 /nfs/dbraw/zinc/62/89/42/456628942.db2.gz KTXYPZRXVWADIE-NJDAHSKKSA-N 2 1 328.500 3.278 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000340690928 456628951 /nfs/dbraw/zinc/62/89/51/456628951.db2.gz KTXYPZRXVWADIE-NJDAHSKKSA-N 2 1 328.500 3.278 20 0 EGADMP C[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000320718980 456631497 /nfs/dbraw/zinc/63/14/97/456631497.db2.gz VKXYKYLBBFPSDH-LMMKCTJWSA-N 2 1 346.515 3.464 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000338187550 456693155 /nfs/dbraw/zinc/69/31/55/456693155.db2.gz MJTLHWKNHLVXMC-PXNSSMCTSA-N 2 1 345.531 3.473 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000343563979 456708721 /nfs/dbraw/zinc/70/87/21/456708721.db2.gz NGQDDASLGISRDA-QZTJIDSGSA-N 2 1 345.531 3.121 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338213296 456709546 /nfs/dbraw/zinc/70/95/46/456709546.db2.gz FZKIYDMOXXZIAI-WIYYLYMNSA-N 2 1 338.499 3.470 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338213296 456709552 /nfs/dbraw/zinc/70/95/52/456709552.db2.gz FZKIYDMOXXZIAI-WIYYLYMNSA-N 2 1 338.499 3.470 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCOc1cccc(OC)c1 ZINC000277203572 456722890 /nfs/dbraw/zinc/72/28/90/456722890.db2.gz MSCCGSZUGDQJMF-UHFFFAOYSA-N 2 1 331.460 3.245 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCOc1cccc(OC)c1 ZINC000277203572 456722892 /nfs/dbraw/zinc/72/28/92/456722892.db2.gz MSCCGSZUGDQJMF-UHFFFAOYSA-N 2 1 331.460 3.245 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)ccc(O)c2n1 ZINC000338276218 456744126 /nfs/dbraw/zinc/74/41/26/456744126.db2.gz CJPUOLMFVKPUCA-AEFFLSMTSA-N 2 1 325.456 3.165 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)ccc(O)c2n1 ZINC000338276218 456744133 /nfs/dbraw/zinc/74/41/33/456744133.db2.gz CJPUOLMFVKPUCA-AEFFLSMTSA-N 2 1 325.456 3.165 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)ccc(O)c2n1 ZINC000338276218 456744140 /nfs/dbraw/zinc/74/41/40/456744140.db2.gz CJPUOLMFVKPUCA-AEFFLSMTSA-N 2 1 325.456 3.165 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)CCCN(C)Cc1ccco1 ZINC000353544157 456747288 /nfs/dbraw/zinc/74/72/88/456747288.db2.gz AUQQHVLQENGWCY-LMMKCTJWSA-N 2 1 349.519 3.117 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000353544157 456747295 /nfs/dbraw/zinc/74/72/95/456747295.db2.gz AUQQHVLQENGWCY-LMMKCTJWSA-N 2 1 349.519 3.117 20 0 EGADMP C[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3Cl)CCN1C1CC[NH+](C)CC1 ZINC000343714058 456767067 /nfs/dbraw/zinc/76/70/67/456767067.db2.gz POOQDTDJVMZCNM-FOIQADDNSA-N 2 1 347.934 3.428 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000283392586 456771671 /nfs/dbraw/zinc/77/16/71/456771671.db2.gz ATPZGSSRFXSMMQ-LJQANCHMSA-N 2 1 331.504 3.131 20 0 EGADMP Cc1cnc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1C ZINC000341258533 456827320 /nfs/dbraw/zinc/82/73/20/456827320.db2.gz LQHHFPJKBCYBNC-APWZRJJASA-N 2 1 326.488 3.119 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000292024773 456834330 /nfs/dbraw/zinc/83/43/30/456834330.db2.gz YNHQGUVOPAWHFP-NHCUHLMSSA-N 2 1 330.516 3.178 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000292024773 456834337 /nfs/dbraw/zinc/83/43/37/456834337.db2.gz YNHQGUVOPAWHFP-NHCUHLMSSA-N 2 1 330.516 3.178 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000292024773 456834339 /nfs/dbraw/zinc/83/43/39/456834339.db2.gz YNHQGUVOPAWHFP-NHCUHLMSSA-N 2 1 330.516 3.178 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2-n2cncn2)C[C@H]1C ZINC000353658484 456838003 /nfs/dbraw/zinc/83/80/03/456838003.db2.gz JMCUDWQFUPANQK-PBHICJAKSA-N 2 1 347.894 3.225 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2-n2cncn2)C[C@H]1C ZINC000353658484 456838011 /nfs/dbraw/zinc/83/80/11/456838011.db2.gz JMCUDWQFUPANQK-PBHICJAKSA-N 2 1 347.894 3.225 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2-n2cncn2)C[C@H]1C ZINC000353658484 456838017 /nfs/dbraw/zinc/83/80/17/456838017.db2.gz JMCUDWQFUPANQK-PBHICJAKSA-N 2 1 347.894 3.225 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000344685666 456847390 /nfs/dbraw/zinc/84/73/90/456847390.db2.gz JMDSJHHZZQMNBF-NSHGMRRFSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000344685666 456847394 /nfs/dbraw/zinc/84/73/94/456847394.db2.gz JMDSJHHZZQMNBF-NSHGMRRFSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)CCC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000349419365 456967026 /nfs/dbraw/zinc/96/70/26/456967026.db2.gz PIJOAKCBFNKRAN-HDICACEKSA-N 2 1 326.525 3.013 20 0 EGADMP CC(C)CCC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000349419365 456967027 /nfs/dbraw/zinc/96/70/27/456967027.db2.gz PIJOAKCBFNKRAN-HDICACEKSA-N 2 1 326.525 3.013 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccn3)CCC2)[C@H](C)C1 ZINC000353988400 456991927 /nfs/dbraw/zinc/99/19/27/456991927.db2.gz VJSDZCTWPWXPHK-RTBURBONSA-N 2 1 345.531 3.230 20 0 EGADMP C[C@@H](C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000359118297 457058342 /nfs/dbraw/zinc/05/83/42/457058342.db2.gz VFPRHYUBDKLTIS-DMUMMCEESA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000359118297 457058348 /nfs/dbraw/zinc/05/83/48/457058348.db2.gz VFPRHYUBDKLTIS-DMUMMCEESA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000359118297 457058353 /nfs/dbraw/zinc/05/83/53/457058353.db2.gz VFPRHYUBDKLTIS-DMUMMCEESA-N 2 1 343.515 3.029 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000354098328 457060339 /nfs/dbraw/zinc/06/03/39/457060339.db2.gz WEXJMUVOCKEMAI-QGZVFWFLSA-N 2 1 342.430 3.221 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000339362466 457068322 /nfs/dbraw/zinc/06/83/22/457068322.db2.gz LYEGTBMZQWQJRL-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@H]3CCCO3)CC2)cs1 ZINC000346607238 457074160 /nfs/dbraw/zinc/07/41/60/457074160.db2.gz OMXQEUYAAMEOGO-RHSMWYFYSA-N 2 1 337.533 3.075 20 0 EGADMP C[C@@H](C(=O)NCc1cccc(-c2ncc[nH]2)c1)N(C)Cc1ccccc1 ZINC000342074929 457092919 /nfs/dbraw/zinc/09/29/19/457092919.db2.gz WVBPKARPQFRFEZ-INIZCTEOSA-N 2 1 348.450 3.213 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)C[C@H]21 ZINC000342076563 457094615 /nfs/dbraw/zinc/09/46/15/457094615.db2.gz AIZTZAJBBLVHOH-FVQBIDKESA-N 2 1 328.378 3.187 20 0 EGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000339426532 457109994 /nfs/dbraw/zinc/10/99/94/457109994.db2.gz NULZWIKZCBYUQS-FCHUYYIVSA-N 2 1 338.495 3.161 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000339426532 457109998 /nfs/dbraw/zinc/10/99/98/457109998.db2.gz NULZWIKZCBYUQS-FCHUYYIVSA-N 2 1 338.495 3.161 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000339426532 457110003 /nfs/dbraw/zinc/11/00/03/457110003.db2.gz NULZWIKZCBYUQS-FCHUYYIVSA-N 2 1 338.495 3.161 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000346692640 457114419 /nfs/dbraw/zinc/11/44/19/457114419.db2.gz HZZYIFFUKIPVSB-HXUWFJFHSA-N 2 1 327.472 3.466 20 0 EGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000354183235 457115824 /nfs/dbraw/zinc/11/58/24/457115824.db2.gz YNLZDRSPVXGMGK-DZFGPLHGSA-N 2 1 346.515 3.202 20 0 EGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000354183235 457115828 /nfs/dbraw/zinc/11/58/28/457115828.db2.gz YNLZDRSPVXGMGK-DZFGPLHGSA-N 2 1 346.515 3.202 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCc3sccc3C2)CC1 ZINC000349944764 457116593 /nfs/dbraw/zinc/11/65/93/457116593.db2.gz MGZDNMOPFUYZOL-UHFFFAOYSA-N 2 1 341.524 3.448 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3ccccc3C(F)(F)F)C[C@@H]21 ZINC000342143769 457133531 /nfs/dbraw/zinc/13/35/31/457133531.db2.gz QSBKRUAXLCKDAK-VNHYZAJKSA-N 2 1 328.378 3.143 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)c1 ZINC000362931099 457162100 /nfs/dbraw/zinc/16/21/00/457162100.db2.gz PJZMJTGXRIBOGO-FXAWDEMLSA-N 2 1 345.531 3.123 20 0 EGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000362931099 457162105 /nfs/dbraw/zinc/16/21/05/457162105.db2.gz PJZMJTGXRIBOGO-FXAWDEMLSA-N 2 1 345.531 3.123 20 0 EGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000362931099 457162110 /nfs/dbraw/zinc/16/21/10/457162110.db2.gz PJZMJTGXRIBOGO-FXAWDEMLSA-N 2 1 345.531 3.123 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC000354375866 457186175 /nfs/dbraw/zinc/18/61/75/457186175.db2.gz IWQDKPUSDIUXFJ-HKUYNNGSSA-N 2 1 343.471 3.082 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@]3(C)CCCO3)CC2)oc1C ZINC000331579975 457211324 /nfs/dbraw/zinc/21/13/24/457211324.db2.gz RZXOHOLZRQBAAW-LPHOPBHVSA-N 2 1 335.492 3.051 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N2CCC[C@H](C)C2)CC1 ZINC000357021734 457283143 /nfs/dbraw/zinc/28/31/43/457283143.db2.gz ZGIPXDPZQPNBOH-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000357048201 457296655 /nfs/dbraw/zinc/29/66/55/457296655.db2.gz MPOLDEHHJLPWIP-DMUMMCEESA-N 2 1 343.515 3.201 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000351591370 457304556 /nfs/dbraw/zinc/30/45/56/457304556.db2.gz DKXYZQPBRIUFSZ-IAGOWNOFSA-N 2 1 344.421 3.447 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000351591370 457304563 /nfs/dbraw/zinc/30/45/63/457304563.db2.gz DKXYZQPBRIUFSZ-IAGOWNOFSA-N 2 1 344.421 3.447 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC1)CC1CC1 ZINC000357074170 457308548 /nfs/dbraw/zinc/30/85/48/457308548.db2.gz GFVOQQIKPAJTCF-QGZVFWFLSA-N 2 1 337.552 3.076 20 0 EGADMP O=C(NCCC[NH+]1CCCCC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000342457495 457313843 /nfs/dbraw/zinc/31/38/43/457313843.db2.gz IVDLGJXXVYJJQC-HXUWFJFHSA-N 2 1 343.515 3.033 20 0 EGADMP CCN(CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)CC(F)(F)F ZINC000355052308 457339754 /nfs/dbraw/zinc/33/97/54/457339754.db2.gz NWAGUISTGXYNDR-WBVHZDCISA-N 2 1 347.469 3.209 20 0 EGADMP CCN(CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)CC(F)(F)F ZINC000355052308 457339760 /nfs/dbraw/zinc/33/97/60/457339760.db2.gz NWAGUISTGXYNDR-WBVHZDCISA-N 2 1 347.469 3.209 20 0 EGADMP CCN(CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)CC(F)(F)F ZINC000355052308 457339764 /nfs/dbraw/zinc/33/97/64/457339764.db2.gz NWAGUISTGXYNDR-WBVHZDCISA-N 2 1 347.469 3.209 20 0 EGADMP CCN(CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)CC(F)(F)F ZINC000355052308 457339771 /nfs/dbraw/zinc/33/97/71/457339771.db2.gz NWAGUISTGXYNDR-WBVHZDCISA-N 2 1 347.469 3.209 20 0 EGADMP c1[nH]nc2cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)ccc12 ZINC000355342942 457361176 /nfs/dbraw/zinc/36/11/76/457361176.db2.gz YKAFICKKHMYFGI-WOJBJXKFSA-N 2 1 332.451 3.127 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(CNc3cc[nH+]c4ccccc34)c2)CCO1 ZINC000357183116 457362838 /nfs/dbraw/zinc/36/28/38/457362838.db2.gz CULLLEXULBSZIW-KRWDZBQOSA-N 2 1 347.462 3.490 20 0 EGADMP Cc1ncsc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352432757 457362986 /nfs/dbraw/zinc/36/29/86/457362986.db2.gz SMKXOIVAFYDIQB-ROUUACIJSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncsc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352432757 457362992 /nfs/dbraw/zinc/36/29/92/457362992.db2.gz SMKXOIVAFYDIQB-ROUUACIJSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncsc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352432757 457362998 /nfs/dbraw/zinc/36/29/98/457362998.db2.gz SMKXOIVAFYDIQB-ROUUACIJSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncsc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352432757 457363001 /nfs/dbraw/zinc/36/30/01/457363001.db2.gz SMKXOIVAFYDIQB-ROUUACIJSA-N 2 1 327.497 3.405 20 0 EGADMP COCCSCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352440516 457369093 /nfs/dbraw/zinc/36/90/93/457369093.db2.gz OVHCIBFZRXGBEW-WOJBJXKFSA-N 2 1 348.556 3.210 20 0 EGADMP COCCSCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352440516 457369098 /nfs/dbraw/zinc/36/90/98/457369098.db2.gz OVHCIBFZRXGBEW-WOJBJXKFSA-N 2 1 348.556 3.210 20 0 EGADMP COCCSCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352440516 457369105 /nfs/dbraw/zinc/36/91/05/457369105.db2.gz OVHCIBFZRXGBEW-WOJBJXKFSA-N 2 1 348.556 3.210 20 0 EGADMP CCc1nnc([C@H](C)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000352447851 457373287 /nfs/dbraw/zinc/37/32/87/457373287.db2.gz OVGBAZQYBMXDFV-JQHSSLGASA-N 2 1 340.471 3.147 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000342586642 457381409 /nfs/dbraw/zinc/38/14/09/457381409.db2.gz MZBGVDWCDNRBSF-VAMGGRTRSA-N 2 1 343.515 3.030 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[NH+]3CCC[C@@H]3C2)cc1)C(C)C ZINC000363687604 457417277 /nfs/dbraw/zinc/41/72/77/457417277.db2.gz BBHXEBFFBLZOHZ-HXUWFJFHSA-N 2 1 343.515 3.227 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1)C(C)C ZINC000363687604 457417283 /nfs/dbraw/zinc/41/72/83/457417283.db2.gz BBHXEBFFBLZOHZ-HXUWFJFHSA-N 2 1 343.515 3.227 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1)C(C)C ZINC000363687604 457417290 /nfs/dbraw/zinc/41/72/90/457417290.db2.gz BBHXEBFFBLZOHZ-HXUWFJFHSA-N 2 1 343.515 3.227 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000360946081 457452671 /nfs/dbraw/zinc/45/26/71/457452671.db2.gz HINJAKYIFAUDCV-UXHICEINSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1(C)C ZINC000360993439 457496611 /nfs/dbraw/zinc/49/66/11/457496611.db2.gz BBFNYMWDRUTCAS-UXHICEINSA-N 2 1 346.515 3.201 20 0 EGADMP Cc1cnc(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1C ZINC000342789808 457530857 /nfs/dbraw/zinc/53/08/57/457530857.db2.gz YCXUMGHGHZRVDD-WOJBJXKFSA-N 2 1 338.499 3.215 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])ccc1OC(F)F ZINC000404444553 457544093 /nfs/dbraw/zinc/54/40/93/457544093.db2.gz WUPXXUTVHYMPIY-JSGCOSHPSA-N 2 1 328.403 3.246 20 0 EGADMP CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000357532747 457583798 /nfs/dbraw/zinc/58/37/98/457583798.db2.gz VKOKEVPTFCWQSC-FXAWDEMLSA-N 2 1 343.515 3.162 20 0 EGADMP COC(=O)c1cc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)n(C)c1C ZINC000361136876 457606646 /nfs/dbraw/zinc/60/66/46/457606646.db2.gz SGTGZBUVGABVOC-UHFFFAOYSA-N 2 1 349.519 3.254 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1)C(C)C ZINC000374622467 457674381 /nfs/dbraw/zinc/67/43/81/457674381.db2.gz LHIWWUSILHAWEK-SLFFLAALSA-N 2 1 343.515 3.116 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC1CCCC1 ZINC000358005455 457737917 /nfs/dbraw/zinc/73/79/17/457737917.db2.gz NASJRHDBYKFBLH-CRAIPNDOSA-N 2 1 332.488 3.446 20 0 EGADMP CSc1cc(Br)ccc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000425989249 457754142 /nfs/dbraw/zinc/75/41/42/457754142.db2.gz JNYDQECLJCKJNI-BETUJISGSA-N 2 1 341.318 3.164 20 0 EGADMP CCn1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)c1=O ZINC000433088740 457755052 /nfs/dbraw/zinc/75/50/52/457755052.db2.gz MRXCDBNUXSMQOP-VQIMIIECSA-N 2 1 331.504 3.001 20 0 EGADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000361523985 457770246 /nfs/dbraw/zinc/77/02/46/457770246.db2.gz IBIZMOTXKRAFAJ-ICSRJNTNSA-N 2 1 347.547 3.118 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000361530485 457772600 /nfs/dbraw/zinc/77/26/00/457772600.db2.gz JUPOFSHRYNMXFH-AWEZNQCLSA-N 2 1 328.243 3.212 20 0 EGADMP Cn1c(NCc2cccc(C[NH+]3CCCC3)c2)[nH+]c2cccc(F)c21 ZINC000443511109 457773528 /nfs/dbraw/zinc/77/35/28/457773528.db2.gz SKBWYAMTQRCYJK-UHFFFAOYSA-N 2 1 338.430 3.342 20 0 EGADMP CC(C)OC(=O)CCN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000361676812 457819323 /nfs/dbraw/zinc/81/93/23/457819323.db2.gz AUJNJNBZTSZUOP-VQTJNVASSA-N 2 1 344.499 3.315 20 0 EGADMP CC(C)OC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000361676812 457819329 /nfs/dbraw/zinc/81/93/29/457819329.db2.gz AUJNJNBZTSZUOP-VQTJNVASSA-N 2 1 344.499 3.315 20 0 EGADMP CC(C)OC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000361676812 457819335 /nfs/dbraw/zinc/81/93/35/457819335.db2.gz AUJNJNBZTSZUOP-VQTJNVASSA-N 2 1 344.499 3.315 20 0 EGADMP CC(C)OC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000361676812 457819340 /nfs/dbraw/zinc/81/93/40/457819340.db2.gz AUJNJNBZTSZUOP-VQTJNVASSA-N 2 1 344.499 3.315 20 0 EGADMP CC(C)OC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000361676812 457819346 /nfs/dbraw/zinc/81/93/46/457819346.db2.gz AUJNJNBZTSZUOP-VQTJNVASSA-N 2 1 344.499 3.315 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCc1ccc(Cl)cc1 ZINC000371295903 457852397 /nfs/dbraw/zinc/85/23/97/457852397.db2.gz VSJMGWZJLMCXKG-CEXWTWQISA-N 2 1 336.907 3.456 20 0 EGADMP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371332833 457872164 /nfs/dbraw/zinc/87/21/64/457872164.db2.gz BETSYPWQWLTFQE-SFHVURJKSA-N 2 1 341.499 3.342 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CC45CCOCC5)[C@@H]3C2)cc1 ZINC000433776107 457883904 /nfs/dbraw/zinc/88/39/04/457883904.db2.gz XCBRIEGBCRLNJE-BQJUDKOJSA-N 2 1 340.511 3.303 20 0 EGADMP Cc1cc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc[nH+]1 ZINC000375405336 457917226 /nfs/dbraw/zinc/91/72/26/457917226.db2.gz SHEMZLVUNWNCKS-UHFFFAOYSA-N 3 1 330.520 3.023 20 0 EGADMP CCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)s1 ZINC000358318600 457930136 /nfs/dbraw/zinc/93/01/36/457930136.db2.gz MNBKBDRPYWIKNW-VBNZEHGJSA-N 2 1 337.533 3.042 20 0 EGADMP C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)CCO2 ZINC000411658179 457941731 /nfs/dbraw/zinc/94/17/31/457941731.db2.gz KPQHSIVACYYSTJ-NQIIRXRSSA-N 2 1 344.499 3.052 20 0 EGADMP CC(C)COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371472063 457949326 /nfs/dbraw/zinc/94/93/26/457949326.db2.gz XZBXOUSYQPXJEG-HLAWJBBLSA-N 2 1 346.515 3.405 20 0 EGADMP CC(C)COc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371472063 457949331 /nfs/dbraw/zinc/94/93/31/457949331.db2.gz XZBXOUSYQPXJEG-HLAWJBBLSA-N 2 1 346.515 3.405 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@H]2CCC[NH2+]CC2)cc1 ZINC000427288943 457971194 /nfs/dbraw/zinc/97/11/94/457971194.db2.gz RUHMUWXMCKPHGP-WBVHZDCISA-N 2 1 340.471 3.138 20 0 EGADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000375643260 458002307 /nfs/dbraw/zinc/00/23/07/458002307.db2.gz KDCHQVXTVRFRRF-CRAIPNDOSA-N 2 1 344.528 3.361 20 0 EGADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000375643260 458002314 /nfs/dbraw/zinc/00/23/14/458002314.db2.gz KDCHQVXTVRFRRF-CRAIPNDOSA-N 2 1 344.528 3.361 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411978116 458030897 /nfs/dbraw/zinc/03/08/97/458030897.db2.gz GTWHBQFLEMYSGD-FQEVSTJZSA-N 2 1 339.439 3.082 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411978116 458030904 /nfs/dbraw/zinc/03/09/04/458030904.db2.gz GTWHBQFLEMYSGD-FQEVSTJZSA-N 2 1 339.439 3.082 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000375720734 458035836 /nfs/dbraw/zinc/03/58/36/458035836.db2.gz SFNGKHXOGWVZCY-UHFFFAOYSA-N 2 1 333.863 3.219 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358506241 458045100 /nfs/dbraw/zinc/04/51/00/458045100.db2.gz LDMMJCBAAFOCRS-INIZCTEOSA-N 2 1 329.488 3.213 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)CCC2)c1 ZINC000428038793 458071088 /nfs/dbraw/zinc/07/10/88/458071088.db2.gz BFWWJMMDGMRBQB-AZUAARDMSA-N 2 1 344.499 3.066 20 0 EGADMP FC(F)(F)c1cccc(OCCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428045765 458071411 /nfs/dbraw/zinc/07/14/11/458071411.db2.gz RGAWKXCLZRYCDU-BBRMVZONSA-N 2 1 328.378 3.158 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1)C1CC1 ZINC000428148494 458087376 /nfs/dbraw/zinc/08/73/76/458087376.db2.gz XULRZZFTEDAFKI-DNVCBOLYSA-N 2 1 329.488 3.013 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000358600185 458102023 /nfs/dbraw/zinc/10/20/23/458102023.db2.gz NUTXDYVHKCLENI-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC[N@H+]1C ZINC000412133720 458102808 /nfs/dbraw/zinc/10/28/08/458102808.db2.gz RFILUYWTNBLABY-XLIONFOSSA-N 2 1 343.515 3.227 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000435369415 458120694 /nfs/dbraw/zinc/12/06/94/458120694.db2.gz FFZAWBWGRXAYAQ-JKSUJKDBSA-N 2 1 326.488 3.339 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000435377289 458126368 /nfs/dbraw/zinc/12/63/68/458126368.db2.gz ZWMNFSCFORBSOK-GUYCJALGSA-N 2 1 346.906 3.371 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000435376907 458126632 /nfs/dbraw/zinc/12/66/32/458126632.db2.gz WBWBDAPHAQDGEO-JJRVBVJISA-N 2 1 338.879 3.067 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000435376907 458126637 /nfs/dbraw/zinc/12/66/37/458126637.db2.gz WBWBDAPHAQDGEO-JJRVBVJISA-N 2 1 338.879 3.067 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC000435382443 458129671 /nfs/dbraw/zinc/12/96/71/458129671.db2.gz ZYKXSUSICVDWIS-GOSISDBHSA-N 2 1 326.440 3.055 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC000435382443 458129679 /nfs/dbraw/zinc/12/96/79/458129679.db2.gz ZYKXSUSICVDWIS-GOSISDBHSA-N 2 1 326.440 3.055 20 0 EGADMP COc1cc(OC)cc(Oc2ccc(C[N@H+]3CC[C@H](C[NH3+])C3)cc2)c1 ZINC000435385761 458132903 /nfs/dbraw/zinc/13/29/03/458132903.db2.gz UALJETOKOUIWSH-MRXNPFEDSA-N 2 1 342.439 3.277 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)ccc1OCC(F)(F)F ZINC000435388752 458134739 /nfs/dbraw/zinc/13/47/39/458134739.db2.gz HEAGPXCSZMLCJQ-AWEZNQCLSA-N 2 1 346.393 3.068 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)ccc1OCC(F)(F)F ZINC000435388752 458134748 /nfs/dbraw/zinc/13/47/48/458134748.db2.gz HEAGPXCSZMLCJQ-AWEZNQCLSA-N 2 1 346.393 3.068 20 0 EGADMP CC1CCC(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000435426175 458143230 /nfs/dbraw/zinc/14/32/30/458143230.db2.gz GXWCOHMLICBSDF-ABHNRTSZSA-N 2 1 330.520 3.191 20 0 EGADMP CC[C@@H]1C[C@@H](C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)CCO1 ZINC000435441032 458147626 /nfs/dbraw/zinc/14/76/26/458147626.db2.gz CHVMTOICZSCTSA-YESZJQIVSA-N 2 1 337.533 3.068 20 0 EGADMP CC[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435624327 458176768 /nfs/dbraw/zinc/17/67/68/458176768.db2.gz JAPJKSWFWSJPAZ-UYAOXDASSA-N 2 1 343.515 3.034 20 0 EGADMP COC[C@@H]1CCCC[NH+](C/C=C/C[N@@H+]2CCCC[C@@H](COC)C2)C1 ZINC000372109659 458198100 /nfs/dbraw/zinc/19/81/00/458198100.db2.gz UUWMDEHGOFWGFV-WWTANLFGSA-N 2 1 338.536 3.040 20 0 EGADMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](C)c1ccccc1 ZINC000428867162 458226481 /nfs/dbraw/zinc/22/64/81/458226481.db2.gz JVGDLCJOUMDCGY-SFHVURJKSA-N 2 1 345.531 3.447 20 0 EGADMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)c1ccccc1 ZINC000428867161 458226740 /nfs/dbraw/zinc/22/67/40/458226740.db2.gz JVGDLCJOUMDCGY-GOSISDBHSA-N 2 1 345.531 3.447 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC000429062313 458267964 /nfs/dbraw/zinc/26/79/64/458267964.db2.gz QBJGVNWHGMTCGC-RHSMWYFYSA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC000429062313 458267971 /nfs/dbraw/zinc/26/79/71/458267971.db2.gz QBJGVNWHGMTCGC-RHSMWYFYSA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC000429062313 458267981 /nfs/dbraw/zinc/26/79/81/458267981.db2.gz QBJGVNWHGMTCGC-RHSMWYFYSA-N 2 1 337.895 3.473 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000436274997 458281103 /nfs/dbraw/zinc/28/11/03/458281103.db2.gz MUEJAUHBXWQTBJ-INIZCTEOSA-N 2 1 331.485 3.154 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000436274997 458281106 /nfs/dbraw/zinc/28/11/06/458281106.db2.gz MUEJAUHBXWQTBJ-INIZCTEOSA-N 2 1 331.485 3.154 20 0 EGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000447543100 458307414 /nfs/dbraw/zinc/30/74/14/458307414.db2.gz QNVWUTWAUZHQTE-MDNKFWRPSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000447543100 458307419 /nfs/dbraw/zinc/30/74/19/458307419.db2.gz QNVWUTWAUZHQTE-MDNKFWRPSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000447589406 458317719 /nfs/dbraw/zinc/31/77/19/458317719.db2.gz XUVNEESTTSIYJL-ZIFCJYIRSA-N 2 1 326.488 3.371 20 0 EGADMP C[C@H]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000429577204 458347645 /nfs/dbraw/zinc/34/76/45/458347645.db2.gz DZMZNDXODNYXBT-PXNSSMCTSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1CN(c2ccccc2C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000459375034 458350019 /nfs/dbraw/zinc/35/00/19/458350019.db2.gz JIJLLXKFQYYFLQ-RBUKOAKNSA-N 2 1 345.531 3.266 20 0 EGADMP C[C@@H]1CN(c2ccccc2C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC000459375034 458350022 /nfs/dbraw/zinc/35/00/22/458350022.db2.gz JIJLLXKFQYYFLQ-RBUKOAKNSA-N 2 1 345.531 3.266 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2N2CCO[C@@H](C)C2)C[C@H]1C ZINC000459380785 458350651 /nfs/dbraw/zinc/35/06/51/458350651.db2.gz TYKIQXJXNDIUFG-HBFSDRIKSA-N 2 1 345.531 3.216 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2N2CCO[C@@H](C)C2)C[C@H]1C ZINC000459380785 458350654 /nfs/dbraw/zinc/35/06/54/458350654.db2.gz TYKIQXJXNDIUFG-HBFSDRIKSA-N 2 1 345.531 3.216 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2N2CCO[C@@H](C)C2)C[C@H]1C ZINC000459380785 458350656 /nfs/dbraw/zinc/35/06/56/458350656.db2.gz TYKIQXJXNDIUFG-HBFSDRIKSA-N 2 1 345.531 3.216 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2N2CCO[C@@H](C)C2)C[C@H]1C ZINC000459380785 458350659 /nfs/dbraw/zinc/35/06/59/458350659.db2.gz TYKIQXJXNDIUFG-HBFSDRIKSA-N 2 1 345.531 3.216 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000372990295 458368250 /nfs/dbraw/zinc/36/82/50/458368250.db2.gz PGRDYNOBJHKVGZ-ICSRJNTNSA-N 2 1 332.488 3.161 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000372990295 458368258 /nfs/dbraw/zinc/36/82/58/458368258.db2.gz PGRDYNOBJHKVGZ-ICSRJNTNSA-N 2 1 332.488 3.161 20 0 EGADMP COCc1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)no1 ZINC000459431956 458369027 /nfs/dbraw/zinc/36/90/27/458369027.db2.gz GDOYSJLHUUNSGU-WMZOPIPTSA-N 2 1 343.471 3.211 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000459474498 458385799 /nfs/dbraw/zinc/38/57/99/458385799.db2.gz XYMODZIHPRPSHV-QFIPXVFZSA-N 2 1 336.479 3.420 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc2c(c1)CCCC2 ZINC000430235971 458426159 /nfs/dbraw/zinc/42/61/59/458426159.db2.gz GBKOXVLQRLPXEU-NJDAHSKKSA-N 2 1 328.500 3.249 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CNCCN1C)c1ccc(SC2CCCC2)cc1 ZINC000423485425 458441165 /nfs/dbraw/zinc/44/11/65/458441165.db2.gz ARDQDSWIMDPFHC-DOTOQJQBSA-N 2 1 333.545 3.276 20 0 EGADMP C[N@H+]1CC[C@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000423536257 458454547 /nfs/dbraw/zinc/45/45/47/458454547.db2.gz ZEOSPZHCSFITBE-FNAHDJPLSA-N 2 1 335.495 3.167 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000430581255 458464606 /nfs/dbraw/zinc/46/46/06/458464606.db2.gz GTFBCSUWKGQYRS-GQIGUUNPSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000430581255 458464614 /nfs/dbraw/zinc/46/46/14/458464614.db2.gz GTFBCSUWKGQYRS-GQIGUUNPSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000430578793 458465486 /nfs/dbraw/zinc/46/54/86/458465486.db2.gz XPJMDYKHHPWLHS-VQIMIIECSA-N 2 1 325.456 3.220 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000459743217 458466084 /nfs/dbraw/zinc/46/60/84/458466084.db2.gz WYCGSJBQTXIBPL-GOSISDBHSA-N 2 1 339.483 3.482 20 0 EGADMP CC[NH2+]CC1CC[NH+]([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000430597140 458469174 /nfs/dbraw/zinc/46/91/74/458469174.db2.gz PRZAUMDQGHEVHX-HNNXBMFYSA-N 2 1 328.460 3.043 20 0 EGADMP C[C@H](CCCC[NH3+])NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000423694119 458472692 /nfs/dbraw/zinc/47/26/92/458472692.db2.gz KKEDMNGRYSLBFD-WBVHZDCISA-N 2 1 346.519 3.127 20 0 EGADMP Cn1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(-c2ccc(F)cc2)n1 ZINC000459800306 458483138 /nfs/dbraw/zinc/48/31/38/458483138.db2.gz ZNVXUSCFIZYNDE-OAHLLOKOSA-N 2 1 330.451 3.048 20 0 EGADMP [NH3+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430927976 458506252 /nfs/dbraw/zinc/50/62/52/458506252.db2.gz KGFZMCNBDPCLJR-INIZCTEOSA-N 2 1 339.439 3.088 20 0 EGADMP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000430949233 458509050 /nfs/dbraw/zinc/50/90/50/458509050.db2.gz NAPXPYNMEAWPNX-OLZOCXBDSA-N 2 1 348.878 3.434 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]3CCC[C@@H]32)cc1 ZINC000453117524 458518669 /nfs/dbraw/zinc/51/86/69/458518669.db2.gz JJYZJWHODOODJB-SSFAQJFESA-N 2 1 326.484 3.339 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000431052564 458521931 /nfs/dbraw/zinc/52/19/31/458521931.db2.gz YAMUWRIFFNZSFP-WOJBJXKFSA-N 2 1 345.531 3.441 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000431056729 458522033 /nfs/dbraw/zinc/52/20/33/458522033.db2.gz FHJOWQVQEBFLNY-RTBURBONSA-N 2 1 331.504 3.052 20 0 EGADMP CC(C)([NH3+])c1noc(C[N@@H+](CCc2ccc(Cl)cc2)CC2CC2)n1 ZINC000431082893 458526017 /nfs/dbraw/zinc/52/60/17/458526017.db2.gz WSLXQNPZDXDJGP-UHFFFAOYSA-N 2 1 348.878 3.372 20 0 EGADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(C)c1 ZINC000377896902 458567030 /nfs/dbraw/zinc/56/70/30/458567030.db2.gz ALOOLROGGQTRIN-HXUWFJFHSA-N 2 1 329.532 3.212 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@H]([NH3+])CC2CCCCC2)[C@@H](C)C1 ZINC000424143914 458570596 /nfs/dbraw/zinc/57/05/96/458570596.db2.gz KDLHRRRJQDBANH-WDSOQIARSA-N 2 1 337.552 3.253 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000424246887 458591574 /nfs/dbraw/zinc/59/15/74/458591574.db2.gz SZMAWWJXRCDUEB-IBGZPJMESA-N 2 1 341.430 3.196 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000424246887 458591579 /nfs/dbraw/zinc/59/15/79/458591579.db2.gz SZMAWWJXRCDUEB-IBGZPJMESA-N 2 1 341.430 3.196 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccn(-c3ccc(F)cc3F)n1)CC[NH2+]CC2 ZINC000424291274 458605853 /nfs/dbraw/zinc/60/58/53/458605853.db2.gz NIPKUVBABWVLSU-CQSZACIVSA-N 2 1 346.425 3.115 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302359 458610647 /nfs/dbraw/zinc/61/06/47/458610647.db2.gz ZGUSEOSXUNOACV-OAHLLOKOSA-N 2 1 347.528 3.201 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1C ZINC000438821458 458616886 /nfs/dbraw/zinc/61/68/86/458616886.db2.gz SCFPTOPQZUCECF-CXAGYDPISA-N 2 1 339.430 3.098 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1C ZINC000438821458 458616892 /nfs/dbraw/zinc/61/68/92/458616892.db2.gz SCFPTOPQZUCECF-CXAGYDPISA-N 2 1 339.430 3.098 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1C ZINC000438821458 458616894 /nfs/dbraw/zinc/61/68/94/458616894.db2.gz SCFPTOPQZUCECF-CXAGYDPISA-N 2 1 339.430 3.098 20 0 EGADMP C[NH+](C)[C@@H](CC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000431798711 458626396 /nfs/dbraw/zinc/62/63/96/458626396.db2.gz QSJMOPVDFRDXTD-FQEVSTJZSA-N 2 1 343.515 3.156 20 0 EGADMP CCOc1c(OC)cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OC ZINC000424383724 458630423 /nfs/dbraw/zinc/63/04/23/458630423.db2.gz UJZGFFBQTBGZEX-HNNXBMFYSA-N 2 1 348.487 3.067 20 0 EGADMP Cc1ccc(C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)c2ccc(C)cc2)cc1 ZINC000546572893 458638096 /nfs/dbraw/zinc/63/80/96/458638096.db2.gz PVDIHTSFCYKPMJ-FCHUYYIVSA-N 2 1 338.495 3.243 20 0 EGADMP Cc1ccc(C[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)c2ccc(C)cc2)cc1 ZINC000546572893 458638098 /nfs/dbraw/zinc/63/80/98/458638098.db2.gz PVDIHTSFCYKPMJ-FCHUYYIVSA-N 2 1 338.495 3.243 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000502242922 458641947 /nfs/dbraw/zinc/64/19/47/458641947.db2.gz UGUOTBQSEXWHHK-IAGOWNOFSA-N 2 1 334.504 3.265 20 0 EGADMP COc1ccc2cc(C[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)ccc2c1 ZINC000432361334 458723664 /nfs/dbraw/zinc/72/36/64/458723664.db2.gz DEQCSAOFVRFREQ-QGZVFWFLSA-N 2 1 342.483 3.439 20 0 EGADMP Cc1ccc2[nH]c(C[NH2+]CC3CCN(CC[NH+](C)C)CC3)cc2c1C ZINC000472042910 458763525 /nfs/dbraw/zinc/76/35/25/458763525.db2.gz NBGZHWKGWXYXBR-UHFFFAOYSA-N 2 1 342.531 3.148 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH+](C)Cc1ccccc1 ZINC000439956520 458770011 /nfs/dbraw/zinc/77/00/11/458770011.db2.gz MIFMPPWQXTTWDM-YLJYHZDGSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000439956520 458770019 /nfs/dbraw/zinc/77/00/19/458770019.db2.gz MIFMPPWQXTTWDM-YLJYHZDGSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000439956520 458770024 /nfs/dbraw/zinc/77/00/24/458770024.db2.gz MIFMPPWQXTTWDM-YLJYHZDGSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H]([NH2+]CCCCn1ccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828538 458800612 /nfs/dbraw/zinc/80/06/12/458800612.db2.gz ZHIXZBSVHLNYBO-ICSRJNTNSA-N 2 1 326.488 3.164 20 0 EGADMP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1CCN(c2ccccn2)CC1 ZINC000472578452 458802200 /nfs/dbraw/zinc/80/22/00/458802200.db2.gz GPUPLSMVUSVYDQ-HXUWFJFHSA-N 2 1 344.547 3.494 20 0 EGADMP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1CCN(c2ccccn2)CC1 ZINC000472578452 458802205 /nfs/dbraw/zinc/80/22/05/458802205.db2.gz GPUPLSMVUSVYDQ-HXUWFJFHSA-N 2 1 344.547 3.494 20 0 EGADMP CC[NH+](CC[C@H]1CCCC[N@H+]1C)CC1CCN(c2ccccn2)CC1 ZINC000472578452 458802209 /nfs/dbraw/zinc/80/22/09/458802209.db2.gz GPUPLSMVUSVYDQ-HXUWFJFHSA-N 2 1 344.547 3.494 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440629891 458834628 /nfs/dbraw/zinc/83/46/28/458834628.db2.gz ZMBMGYCNHBOUMC-TZMCWYRMSA-N 2 1 332.414 3.419 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000495552583 458881271 /nfs/dbraw/zinc/88/12/71/458881271.db2.gz CEPORLURBGTXQU-IAGOWNOFSA-N 2 1 339.524 3.098 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000495552583 458881275 /nfs/dbraw/zinc/88/12/75/458881275.db2.gz CEPORLURBGTXQU-IAGOWNOFSA-N 2 1 339.524 3.098 20 0 EGADMP CCOC(=O)C1(C)CCC([NH2+][C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000474613606 458894134 /nfs/dbraw/zinc/89/41/34/458894134.db2.gz DRCKGGUQRQMHRA-UOODJLLFSA-N 2 1 338.536 3.454 20 0 EGADMP CCOC(=O)C1(C)CCC([NH2+][C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000474613606 458894137 /nfs/dbraw/zinc/89/41/37/458894137.db2.gz DRCKGGUQRQMHRA-UOODJLLFSA-N 2 1 338.536 3.454 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCSc1ccc(F)cc1 ZINC000441258050 458906481 /nfs/dbraw/zinc/90/64/81/458906481.db2.gz SNOKXVANQXIBFQ-NXHRZFHOSA-N 2 1 338.492 3.101 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCCC12CCCCC2)c1ccccc1 ZINC000475138530 458922430 /nfs/dbraw/zinc/92/24/30/458922430.db2.gz MSIKIXJBFLMEMG-IBGZPJMESA-N 2 1 343.515 3.204 20 0 EGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000576935911 458949192 /nfs/dbraw/zinc/94/91/92/458949192.db2.gz HYRJUKPXEPGPMO-QXAKKESOSA-N 2 1 348.531 3.105 20 0 EGADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000531677707 458959338 /nfs/dbraw/zinc/95/93/38/458959338.db2.gz QQWCDBJNVVTVHD-FUHWJXTLSA-N 2 1 329.513 3.387 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CC[NH3+])CC2)c(Cl)c1 ZINC000566567292 458963068 /nfs/dbraw/zinc/96/30/68/458963068.db2.gz MRRCPDSCLFNHBA-AWEZNQCLSA-N 2 1 337.895 3.345 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000442762809 459032723 /nfs/dbraw/zinc/03/27/23/459032723.db2.gz QYSSTQAWQNVKHW-RKVPGOIHSA-N 2 1 349.494 3.088 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000442762809 459032729 /nfs/dbraw/zinc/03/27/29/459032729.db2.gz QYSSTQAWQNVKHW-RKVPGOIHSA-N 2 1 349.494 3.088 20 0 EGADMP C[N@@H+](CCC(=O)Nc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442778526 459033873 /nfs/dbraw/zinc/03/38/73/459033873.db2.gz GIONPPBADIBGQU-JWTNVVGKSA-N 2 1 337.467 3.383 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000532166935 459041668 /nfs/dbraw/zinc/04/16/68/459041668.db2.gz XSCLOLQPNMVUCV-UYAOXDASSA-N 2 1 338.536 3.159 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)ccc1OCC(F)(F)F ZINC000442916970 459059891 /nfs/dbraw/zinc/05/98/91/459059891.db2.gz BGFLCIUREAXTKQ-CYBMUJFWSA-N 2 1 346.393 3.197 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cs2)cc1 ZINC000442926319 459062002 /nfs/dbraw/zinc/06/20/02/459062002.db2.gz YIHNIOIYVBKQLU-CQSZACIVSA-N 2 1 331.485 3.380 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000532480957 459096532 /nfs/dbraw/zinc/09/65/32/459096532.db2.gz HWUMHKUSIVOGMB-JKSUJKDBSA-N 2 1 329.488 3.342 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000496172506 459097236 /nfs/dbraw/zinc/09/72/36/459097236.db2.gz SBRDPTRUIIDMON-ZGRYLRDCSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000496172506 459097239 /nfs/dbraw/zinc/09/72/39/459097239.db2.gz SBRDPTRUIIDMON-ZGRYLRDCSA-N 2 1 339.524 3.142 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000532525449 459106545 /nfs/dbraw/zinc/10/65/45/459106545.db2.gz XTMIADFUCIYPGX-KKUMJFAQSA-N 2 1 337.895 3.438 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000532525449 459106551 /nfs/dbraw/zinc/10/65/51/459106551.db2.gz XTMIADFUCIYPGX-KKUMJFAQSA-N 2 1 337.895 3.438 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000567696623 459148506 /nfs/dbraw/zinc/14/85/06/459148506.db2.gz DQLJUPAPTVPKOM-KVSKMBFKSA-N 2 1 336.907 3.411 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000567696623 459148510 /nfs/dbraw/zinc/14/85/10/459148510.db2.gz DQLJUPAPTVPKOM-KVSKMBFKSA-N 2 1 336.907 3.411 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000480767781 459217586 /nfs/dbraw/zinc/21/75/86/459217586.db2.gz FJSUZDIGIXXQEI-LZQZEXGQSA-N 2 1 335.923 3.407 20 0 EGADMP C[C@@H](CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C[NH+]1CCCCC1 ZINC000480900556 459222618 /nfs/dbraw/zinc/22/26/18/459222618.db2.gz RDUXTHZOUTVHBQ-OALUTQOASA-N 2 1 347.547 3.400 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC(C[NH+](C)C(C)C)CC1)c1ccccc1 ZINC000590808608 459229045 /nfs/dbraw/zinc/22/90/45/459229045.db2.gz FMBHGEFDBXSCPB-HXUWFJFHSA-N 2 1 345.531 3.258 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)c1ccccc1 ZINC000590808608 459229049 /nfs/dbraw/zinc/22/90/49/459229049.db2.gz FMBHGEFDBXSCPB-HXUWFJFHSA-N 2 1 345.531 3.258 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC000590808608 459229052 /nfs/dbraw/zinc/22/90/52/459229052.db2.gz FMBHGEFDBXSCPB-HXUWFJFHSA-N 2 1 345.531 3.258 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)c2ccccc2)CC1 ZINC000590818907 459232608 /nfs/dbraw/zinc/23/26/08/459232608.db2.gz HKZFANTUFVDXOU-KRWDZBQOSA-N 2 1 331.504 3.090 20 0 EGADMP CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000559388389 459257063 /nfs/dbraw/zinc/25/70/63/459257063.db2.gz ZTBZPURXDRXESN-OALUTQOASA-N 2 1 338.923 3.342 20 0 EGADMP CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000559388389 459257068 /nfs/dbraw/zinc/25/70/68/459257068.db2.gz ZTBZPURXDRXESN-OALUTQOASA-N 2 1 338.923 3.342 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1cccc(C)c1 ZINC000482137212 459291944 /nfs/dbraw/zinc/29/19/44/459291944.db2.gz IPOBHTPIYQEBNK-UXHICEINSA-N 2 1 345.531 3.101 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(C)cc1 ZINC000482147552 459292955 /nfs/dbraw/zinc/29/29/55/459292955.db2.gz XJNTYBZYGVTPJR-VQTJNVASSA-N 2 1 345.531 3.101 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccccc1C ZINC000482163466 459295006 /nfs/dbraw/zinc/29/50/06/459295006.db2.gz LTXKXRKVLNAHRI-WOJBJXKFSA-N 2 1 345.531 3.101 20 0 EGADMP Cc1ccc(C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c2ccc(C)cc2)cc1 ZINC000482627521 459317262 /nfs/dbraw/zinc/31/72/62/459317262.db2.gz HTNHAZVDMGQBHK-NHCUHLMSSA-N 2 1 326.484 3.099 20 0 EGADMP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000483159056 459347059 /nfs/dbraw/zinc/34/70/59/459347059.db2.gz NPMPLYHEAXRGOO-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000524156196 459349328 /nfs/dbraw/zinc/34/93/28/459349328.db2.gz SZBQEBXGHYXJQG-ZIFCJYIRSA-N 2 1 337.552 3.122 20 0 EGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC000483303359 459357582 /nfs/dbraw/zinc/35/75/82/459357582.db2.gz MJYNMXOMDURSBB-LEWJYISDSA-N 2 1 330.516 3.429 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC000483303359 459357589 /nfs/dbraw/zinc/35/75/89/459357589.db2.gz MJYNMXOMDURSBB-LEWJYISDSA-N 2 1 330.516 3.429 20 0 EGADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000568888758 459361138 /nfs/dbraw/zinc/36/11/38/459361138.db2.gz CLHJFFBXWHLGJN-INIZCTEOSA-N 2 1 344.528 3.017 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000560582917 459375974 /nfs/dbraw/zinc/37/59/74/459375974.db2.gz KOVWNGCPIUXXNJ-NRFANRHFSA-N 2 1 329.532 3.158 20 0 EGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000569002645 459380605 /nfs/dbraw/zinc/38/06/05/459380605.db2.gz BZWTWLIPSSCJNS-LEWJYISDSA-N 3 1 329.532 3.048 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)Oc1ccccc1Br ZINC000484485988 459415050 /nfs/dbraw/zinc/41/50/50/459415050.db2.gz QHBGEZMPOQPGPP-UMVBOHGHSA-N 2 1 341.293 3.146 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)CCC(C)C)CC2)CC1 ZINC000561109862 459420595 /nfs/dbraw/zinc/42/05/95/459420595.db2.gz SIMAYACPJLLDFF-KRWDZBQOSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)C1 ZINC000541574313 459467856 /nfs/dbraw/zinc/46/78/56/459467856.db2.gz JKWNONGJULTLLJ-CVEARBPZSA-N 2 1 325.541 3.170 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000497198574 459482219 /nfs/dbraw/zinc/48/22/19/459482219.db2.gz YHBQGCNAVYUPEW-QBPKDAKJSA-N 2 1 339.524 3.142 20 0 EGADMP O=C(Nc1cnc2n1CCCC2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000569676272 459491172 /nfs/dbraw/zinc/49/11/72/459491172.db2.gz ZWKHARWUSDIKJK-QGZVFWFLSA-N 2 1 338.455 3.070 20 0 EGADMP Cc1ccc(NC(=O)CN2CCC(C[N@H+](C)C(C)C)CC2)c(F)c1 ZINC000583218381 459503384 /nfs/dbraw/zinc/50/33/84/459503384.db2.gz ZQMOXDRPJZYUPE-UHFFFAOYSA-N 2 1 335.467 3.125 20 0 EGADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(F)c1 ZINC000583218381 459503389 /nfs/dbraw/zinc/50/33/89/459503389.db2.gz ZQMOXDRPJZYUPE-UHFFFAOYSA-N 2 1 335.467 3.125 20 0 EGADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(F)c1 ZINC000583218381 459503392 /nfs/dbraw/zinc/50/33/92/459503392.db2.gz ZQMOXDRPJZYUPE-UHFFFAOYSA-N 2 1 335.467 3.125 20 0 EGADMP CC[N@@H+](C[C@@H](O)CN(C)C1CC1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000562034324 459504770 /nfs/dbraw/zinc/50/47/70/459504770.db2.gz UZTHJEFPUORBMT-VQTJNVASSA-N 2 1 336.495 3.170 20 0 EGADMP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000562034324 459504773 /nfs/dbraw/zinc/50/47/73/459504773.db2.gz UZTHJEFPUORBMT-VQTJNVASSA-N 2 1 336.495 3.170 20 0 EGADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000562034324 459504777 /nfs/dbraw/zinc/50/47/77/459504777.db2.gz UZTHJEFPUORBMT-VQTJNVASSA-N 2 1 336.495 3.170 20 0 EGADMP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000562034324 459504780 /nfs/dbraw/zinc/50/47/80/459504780.db2.gz UZTHJEFPUORBMT-VQTJNVASSA-N 2 1 336.495 3.170 20 0 EGADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000562034324 459504782 /nfs/dbraw/zinc/50/47/82/459504782.db2.gz UZTHJEFPUORBMT-VQTJNVASSA-N 2 1 336.495 3.170 20 0 EGADMP CC[N@@H+](C[C@H](O)CN(C)C1CC1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000562034323 459504952 /nfs/dbraw/zinc/50/49/52/459504952.db2.gz UZTHJEFPUORBMT-UXHICEINSA-N 2 1 336.495 3.170 20 0 EGADMP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000562034323 459504957 /nfs/dbraw/zinc/50/49/57/459504957.db2.gz UZTHJEFPUORBMT-UXHICEINSA-N 2 1 336.495 3.170 20 0 EGADMP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000562034323 459504960 /nfs/dbraw/zinc/50/49/60/459504960.db2.gz UZTHJEFPUORBMT-UXHICEINSA-N 2 1 336.495 3.170 20 0 EGADMP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000562034323 459504964 /nfs/dbraw/zinc/50/49/64/459504964.db2.gz UZTHJEFPUORBMT-UXHICEINSA-N 2 1 336.495 3.170 20 0 EGADMP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000562034323 459504969 /nfs/dbraw/zinc/50/49/69/459504969.db2.gz UZTHJEFPUORBMT-UXHICEINSA-N 2 1 336.495 3.170 20 0 EGADMP c1cnn(-c2cccc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2)c1 ZINC000526990307 459573171 /nfs/dbraw/zinc/57/31/71/459573171.db2.gz WKKIWOXUKIHNQS-OAQYLSRUSA-N 2 1 346.478 3.484 20 0 EGADMP CC1=CC[C@@H]([NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000572861928 459587912 /nfs/dbraw/zinc/58/79/12/459587912.db2.gz GSJGGKGAYQKDFZ-RTWAWAEBSA-N 2 1 327.516 3.454 20 0 EGADMP FC(F)(F)Oc1ccc(OCC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000592471227 459608388 /nfs/dbraw/zinc/60/83/88/459608388.db2.gz NIMQTYKMYXCHFD-UHFFFAOYSA-N 2 1 344.377 3.180 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000527521987 459654825 /nfs/dbraw/zinc/65/48/25/459654825.db2.gz SXMCZBPOUJMDDW-FUHWJXTLSA-N 2 1 332.488 3.076 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCSC2CCCCC2)C1 ZINC000500126669 459666551 /nfs/dbraw/zinc/66/65/51/459666551.db2.gz UHTHBCRNGGBWCZ-QGZVFWFLSA-N 2 1 328.566 3.485 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3ccc(F)c(Br)c3C2)CC[NH2+]1 ZINC000527617430 459670669 /nfs/dbraw/zinc/67/06/69/459670669.db2.gz KZUYDPAZDUTRQX-NEPJUHHUSA-N 2 1 341.268 3.334 20 0 EGADMP Fc1c(Br)ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1F ZINC000527638562 459680856 /nfs/dbraw/zinc/68/08/56/459680856.db2.gz VMMHWKPJKPLOKW-NWDGAFQWSA-N 2 1 345.231 3.444 20 0 EGADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000563064523 459708306 /nfs/dbraw/zinc/70/83/06/459708306.db2.gz MRQSHNQKMMYAPI-OXJNMPFZSA-N 2 1 343.515 3.065 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CC[NH2+][C@@H]2CC)c1 ZINC000563090425 459714579 /nfs/dbraw/zinc/71/45/79/459714579.db2.gz NVFVHRUAHIDILF-WOJBJXKFSA-N 2 1 345.531 3.313 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1OCC(F)(F)F ZINC000584359000 459718054 /nfs/dbraw/zinc/71/80/54/459718054.db2.gz NSOHIMYMFPJUFN-OCCSQVGLSA-N 2 1 346.393 3.338 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1OCC(F)(F)F ZINC000584359000 459718061 /nfs/dbraw/zinc/71/80/61/459718061.db2.gz NSOHIMYMFPJUFN-OCCSQVGLSA-N 2 1 346.393 3.338 20 0 EGADMP C[C@@H](CC(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)n1ccnc1 ZINC000563216545 459741342 /nfs/dbraw/zinc/74/13/42/459741342.db2.gz HWAOEIGRUDZRNW-HNNXBMFYSA-N 2 1 326.444 3.110 20 0 EGADMP C[C@@H](CC(=O)Nc1ccccc1C[NH+]1CCSCC1)n1ccnc1 ZINC000563222407 459743358 /nfs/dbraw/zinc/74/33/58/459743358.db2.gz KDCGOEPMUISPCQ-HNNXBMFYSA-N 2 1 344.484 3.022 20 0 EGADMP CC(C)c1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000527860838 459761058 /nfs/dbraw/zinc/76/10/58/459761058.db2.gz YOUNVDWARHQPGI-APWZRJJASA-N 2 1 331.504 3.048 20 0 EGADMP C[C@H]1C[C@H]([N@@H+](C)CCCc2cncn2C)CCN1Cc1ccccc1 ZINC000574168820 459788000 /nfs/dbraw/zinc/78/80/00/459788000.db2.gz JQSPARONYCKYIM-AZUAARDMSA-N 3 1 340.515 3.338 20 0 EGADMP COC(=O)c1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1F ZINC000597047053 459823651 /nfs/dbraw/zinc/82/36/51/459823651.db2.gz NIQVHYBGAKNYEQ-OAHLLOKOSA-N 2 1 336.451 3.357 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3snnc3C)C2)s1 ZINC000566306720 459839210 /nfs/dbraw/zinc/83/92/10/459839210.db2.gz WRXUMCZIGVCPOT-AWEZNQCLSA-N 2 1 336.530 3.170 20 0 EGADMP COCC(C)(C)[NH+]1CCN(Cc2[nH+]c(C(C)C)n3ccccc23)CC1 ZINC000566338702 459845443 /nfs/dbraw/zinc/84/54/43/459845443.db2.gz RNEMSXJXBFKLBP-UHFFFAOYSA-N 2 1 344.503 3.000 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000575193008 459945979 /nfs/dbraw/zinc/94/59/79/459945979.db2.gz VDDRKJBYQAPLQU-WGSAOQKQSA-N 2 1 343.471 3.093 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000575193008 459945986 /nfs/dbraw/zinc/94/59/86/459945986.db2.gz VDDRKJBYQAPLQU-WGSAOQKQSA-N 2 1 343.471 3.093 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C/C=C\c3c(C)cc(C)cc3C)C2)CC1 ZINC000602467725 459952051 /nfs/dbraw/zinc/95/20/51/459952051.db2.gz YUMRNIHEIQJTOJ-NGXITPROSA-N 2 1 341.543 3.337 20 0 EGADMP COc1nc2ccccc2cc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000575600660 459979142 /nfs/dbraw/zinc/97/91/42/459979142.db2.gz ZURJSZMIVSMYRT-VQIMIIECSA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000575600660 459979151 /nfs/dbraw/zinc/97/91/51/459979151.db2.gz ZURJSZMIVSMYRT-VQIMIIECSA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000575600660 459979158 /nfs/dbraw/zinc/97/91/58/459979158.db2.gz ZURJSZMIVSMYRT-VQIMIIECSA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000575600660 459979166 /nfs/dbraw/zinc/97/91/66/459979166.db2.gz ZURJSZMIVSMYRT-VQIMIIECSA-N 2 1 325.456 3.160 20 0 EGADMP COC(=O)c1csc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000602595840 460015415 /nfs/dbraw/zinc/01/54/15/460015415.db2.gz DOQLVLAXGXPXFD-KBPBESRZSA-N 2 1 336.501 3.277 20 0 EGADMP COC(=O)c1csc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000602595840 460015420 /nfs/dbraw/zinc/01/54/20/460015420.db2.gz DOQLVLAXGXPXFD-KBPBESRZSA-N 2 1 336.501 3.277 20 0 EGADMP CCCc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000621718737 460024387 /nfs/dbraw/zinc/02/43/87/460024387.db2.gz RMFIAYVKTDQBJA-APWZRJJASA-N 2 1 335.561 3.158 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000575932165 460036070 /nfs/dbraw/zinc/03/60/70/460036070.db2.gz CTOMNOVFBLBXRC-OALUTQOASA-N 2 1 327.472 3.326 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000589143376 460038926 /nfs/dbraw/zinc/03/89/26/460038926.db2.gz LPEPOHXBPNIACV-HXUWFJFHSA-N 2 1 343.515 3.229 20 0 EGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602642678 460039260 /nfs/dbraw/zinc/03/92/60/460039260.db2.gz FXVYDFUFYLCAQL-JRBPQWBISA-N 2 1 342.483 3.286 20 0 EGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602642678 460039268 /nfs/dbraw/zinc/03/92/68/460039268.db2.gz FXVYDFUFYLCAQL-JRBPQWBISA-N 2 1 342.483 3.286 20 0 EGADMP COC(=O)CC1CCC([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000599041627 460137106 /nfs/dbraw/zinc/13/71/06/460137106.db2.gz FVGNBFZOIZOSBN-ZLZJIPBDSA-N 2 1 336.520 3.351 20 0 EGADMP CC(C)(C)[C@H]1C[NH+](CCCC[N@H+]2CCO[C@@H](C(C)(C)C)C2)CCO1 ZINC000576504464 460155732 /nfs/dbraw/zinc/15/57/32/460155732.db2.gz HCHACSPHGPKDQT-QZTJIDSGSA-N 2 1 340.552 3.260 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]CC1(O)CCCC1 ZINC000576748463 460205172 /nfs/dbraw/zinc/20/51/72/460205172.db2.gz HXLNPLLKWBPGKO-UHFFFAOYSA-N 2 1 328.456 3.306 20 0 EGADMP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000599310931 460224509 /nfs/dbraw/zinc/22/45/09/460224509.db2.gz GLKBDRXZHXUKTC-HXUWFJFHSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCCC[NH+]3C)cc2)C1 ZINC000599309869 460225048 /nfs/dbraw/zinc/22/50/48/460225048.db2.gz KHUINEQRMKPZQZ-VQIMIIECSA-N 2 1 329.488 3.341 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCCC[NH+]3C)cc2)C1 ZINC000599309869 460225053 /nfs/dbraw/zinc/22/50/53/460225053.db2.gz KHUINEQRMKPZQZ-VQIMIIECSA-N 2 1 329.488 3.341 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000599309869 460225057 /nfs/dbraw/zinc/22/50/57/460225057.db2.gz KHUINEQRMKPZQZ-VQIMIIECSA-N 2 1 329.488 3.341 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCCC[N@H+]3C)cc2)C1 ZINC000599309869 460225063 /nfs/dbraw/zinc/22/50/63/460225063.db2.gz KHUINEQRMKPZQZ-VQIMIIECSA-N 2 1 329.488 3.341 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+](CCC)C2)cc1 ZINC000619899877 460465961 /nfs/dbraw/zinc/46/59/61/460465961.db2.gz TYAAOHLOIFOXNY-IBGZPJMESA-N 2 1 331.504 3.133 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCC)C2)cc1 ZINC000619899877 460465972 /nfs/dbraw/zinc/46/59/72/460465972.db2.gz TYAAOHLOIFOXNY-IBGZPJMESA-N 2 1 331.504 3.133 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCC)C2)cc1 ZINC000619899877 460465974 /nfs/dbraw/zinc/46/59/74/460465974.db2.gz TYAAOHLOIFOXNY-IBGZPJMESA-N 2 1 331.504 3.133 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000604774316 460477741 /nfs/dbraw/zinc/47/77/41/460477741.db2.gz PVOLVFICHGJTOJ-BRWVUGGUSA-N 2 1 325.541 3.122 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc3ncccc23)[C@@H](C)C1 ZINC000634687499 460478392 /nfs/dbraw/zinc/47/83/92/460478392.db2.gz NGXMKUVTUJYRSN-PXNSSMCTSA-N 2 1 341.499 3.461 20 0 EGADMP O[C@@]1(C[NH2+]C[C@H]2CCCCC2(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000634715608 460490181 /nfs/dbraw/zinc/49/01/81/460490181.db2.gz GTHJBBLDUQZRFA-QZTJIDSGSA-N 2 1 338.442 3.039 20 0 EGADMP O[C@@]1(C[NH2+]C[C@H]2CCCCC2(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715608 460490185 /nfs/dbraw/zinc/49/01/85/460490185.db2.gz GTHJBBLDUQZRFA-QZTJIDSGSA-N 2 1 338.442 3.039 20 0 EGADMP CN(C)c1c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)ccc(F)c1F ZINC000623341120 460498167 /nfs/dbraw/zinc/49/81/67/460498167.db2.gz OAFDZZYRDAICSL-UHFFFAOYSA-N 2 1 325.447 3.430 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000631666087 460500164 /nfs/dbraw/zinc/50/01/64/460500164.db2.gz ZUGPANOOWPIWQN-POAQFYNOSA-N 2 1 338.499 3.155 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631668597 460501440 /nfs/dbraw/zinc/50/14/40/460501440.db2.gz ZTADPIHJQBKFMN-BXWFABGCSA-N 2 1 326.488 3.147 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000631668099 460501663 /nfs/dbraw/zinc/50/16/63/460501663.db2.gz VLLBEXFSZAOWRJ-OPYAIIAOSA-N 3 1 329.532 3.074 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000631668099 460501667 /nfs/dbraw/zinc/50/16/67/460501667.db2.gz VLLBEXFSZAOWRJ-OPYAIIAOSA-N 2 1 329.532 3.074 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000623361010 460508746 /nfs/dbraw/zinc/50/87/46/460508746.db2.gz JLQJSDSONBVNCC-LSDHHAIUSA-N 2 1 328.378 3.430 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000623361010 460508750 /nfs/dbraw/zinc/50/87/50/460508750.db2.gz JLQJSDSONBVNCC-LSDHHAIUSA-N 2 1 328.378 3.430 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CCCC[NH+](C)C)cc1)C(C)C ZINC000607033364 460780760 /nfs/dbraw/zinc/78/07/60/460780760.db2.gz RZPKQQHFGCBUDG-UHFFFAOYSA-N 2 1 333.520 3.331 20 0 EGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000629535019 460799111 /nfs/dbraw/zinc/79/91/11/460799111.db2.gz BVYZRYOOKOHTPB-UEXGIBASSA-N 2 1 345.531 3.486 20 0 EGADMP Cc1ccc2ncc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)cc2c1 ZINC000629546960 460803903 /nfs/dbraw/zinc/80/39/03/460803903.db2.gz IWHGXSHMFREUOI-HMXCVIKNSA-N 2 1 339.483 3.404 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)CC[C@@H]1C(F)(F)F ZINC000629563525 460811528 /nfs/dbraw/zinc/81/15/28/460811528.db2.gz RJSCZZAQQLAFDR-YPMHNXCESA-N 2 1 338.320 3.247 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)CC[C@@H]1C(F)(F)F ZINC000629563525 460811532 /nfs/dbraw/zinc/81/15/32/460811532.db2.gz RJSCZZAQQLAFDR-YPMHNXCESA-N 2 1 338.320 3.247 20 0 EGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617349596 460823320 /nfs/dbraw/zinc/82/33/20/460823320.db2.gz SCYPCZPQVBAHPD-AWEZNQCLSA-N 2 1 343.471 3.097 20 0 EGADMP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000620935672 460832069 /nfs/dbraw/zinc/83/20/69/460832069.db2.gz VOFLHNHWXCHWAY-HXUWFJFHSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ncc(Br)cc1F ZINC000624123447 460872958 /nfs/dbraw/zinc/87/29/58/460872958.db2.gz MASPYHVBNLZFAU-RYUDHWBXSA-N 2 1 344.272 3.366 20 0 EGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3CC[N@H+]3C3CCCC3)ccc21 ZINC000635996903 461002554 /nfs/dbraw/zinc/00/25/54/461002554.db2.gz LBYRXPLSHYFSNQ-OALUTQOASA-N 2 1 327.472 3.191 20 0 EGADMP Cc1ccc([C@@H](C)C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000628278840 461070356 /nfs/dbraw/zinc/07/03/56/461070356.db2.gz JRMDRSXIPZGVDY-RXVVDRJESA-N 2 1 329.532 3.199 20 0 EGADMP Cc1cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ncc1Br ZINC000628281429 461071954 /nfs/dbraw/zinc/07/19/54/461071954.db2.gz YWBOFJMABCSXEO-BBRMVZONSA-N 2 1 338.293 3.069 20 0 EGADMP C[C@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C1CCCCC1 ZINC000624638051 461077472 /nfs/dbraw/zinc/07/74/72/461077472.db2.gz GIJVCXUQSNDFNB-MRXNPFEDSA-N 2 1 344.503 3.378 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@H+](C)C1CC[NH+](C(C)C)CC1)CC2 ZINC000637889400 461106147 /nfs/dbraw/zinc/10/61/47/461106147.db2.gz OPWPWQKRTQEQCK-SFHVURJKSA-N 2 1 332.488 3.496 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@@H+](C)C1CC[NH+](C(C)C)CC1)CC2 ZINC000637889400 461106153 /nfs/dbraw/zinc/10/61/53/461106153.db2.gz OPWPWQKRTQEQCK-SFHVURJKSA-N 2 1 332.488 3.496 20 0 EGADMP Cc1ccc(OCCC[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1C ZINC000652348133 461142361 /nfs/dbraw/zinc/14/23/61/461142361.db2.gz VKWQONPWOQKXMA-ZVDOUQERSA-N 2 1 346.515 3.291 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ncc(Cl)cc3Cl)C2)C1 ZINC000652349563 461144601 /nfs/dbraw/zinc/14/46/01/461144601.db2.gz SRPKXEGPHGNICQ-AXAPSJFSSA-N 2 1 344.286 3.107 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ncc(Cl)cc3Cl)C2)C1 ZINC000652349563 461144605 /nfs/dbraw/zinc/14/46/05/461144605.db2.gz SRPKXEGPHGNICQ-AXAPSJFSSA-N 2 1 344.286 3.107 20 0 EGADMP Fc1ccc(OC(F)F)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000662274118 461160885 /nfs/dbraw/zinc/16/08/85/461160885.db2.gz DHXKRDYFOUNRHL-HNNXBMFYSA-N 2 1 328.378 3.391 20 0 EGADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662293227 461170979 /nfs/dbraw/zinc/17/09/79/461170979.db2.gz DNWSQMVJRNLPHB-SJLPKXTDSA-N 2 1 329.488 3.034 20 0 EGADMP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298357 461174911 /nfs/dbraw/zinc/17/49/11/461174911.db2.gz VRYLONVPYQWWPD-GOEBONIOSA-N 2 1 340.471 3.108 20 0 EGADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297763 461175529 /nfs/dbraw/zinc/17/55/29/461175529.db2.gz RNXIJHRSVOONSP-PKOBYXMFSA-N 2 1 343.515 3.342 20 0 EGADMP CN(CCc1ccccc1)[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000662307510 461181614 /nfs/dbraw/zinc/18/16/14/461181614.db2.gz WSGUGHBLJBWECR-NRFANRHFSA-N 2 1 329.532 3.015 20 0 EGADMP C[N@H+](CCc1ccccc1)[C@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000662307510 461181619 /nfs/dbraw/zinc/18/16/19/461181619.db2.gz WSGUGHBLJBWECR-NRFANRHFSA-N 2 1 329.532 3.015 20 0 EGADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000662307510 461181627 /nfs/dbraw/zinc/18/16/27/461181627.db2.gz WSGUGHBLJBWECR-NRFANRHFSA-N 2 1 329.532 3.015 20 0 EGADMP [NH3+]CCOCC[N@@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000662310244 461182894 /nfs/dbraw/zinc/18/28/94/461182894.db2.gz IPTQLCQVDXWOBH-KRWDZBQOSA-N 2 1 336.888 3.324 20 0 EGADMP [NH3+]CCOCC[N@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000662310244 461182897 /nfs/dbraw/zinc/18/28/97/461182897.db2.gz IPTQLCQVDXWOBH-KRWDZBQOSA-N 2 1 336.888 3.324 20 0 EGADMP CC[C@H]([NH2+]C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000662399998 461232464 /nfs/dbraw/zinc/23/24/64/461232464.db2.gz YCDXQUMODWDSBB-IBGZPJMESA-N 2 1 331.504 3.065 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=O)Cc3cccc4c3CC[NH2+]C4)c2C1 ZINC000638089079 461235938 /nfs/dbraw/zinc/23/59/38/461235938.db2.gz NDWPGNCOYBKACT-UHFFFAOYSA-N 2 1 349.478 3.239 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)Cc3cccc4c3CC[NH2+]C4)c2C1 ZINC000638089079 461235946 /nfs/dbraw/zinc/23/59/46/461235946.db2.gz NDWPGNCOYBKACT-UHFFFAOYSA-N 2 1 349.478 3.239 20 0 EGADMP C[NH2+][C@@H](C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1cccc(Cl)c1Cl ZINC000662429836 461239676 /nfs/dbraw/zinc/23/96/76/461239676.db2.gz XSMVBWIAXDONFZ-UKRRQHHQSA-N 2 1 346.302 3.086 20 0 EGADMP CC(C)CC[C@@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638101088 461240681 /nfs/dbraw/zinc/24/06/81/461240681.db2.gz SQPGFHJBFLSQLG-HXUWFJFHSA-N 2 1 345.531 3.121 20 0 EGADMP OCc1ccnc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000641429550 461245040 /nfs/dbraw/zinc/24/50/40/461245040.db2.gz UZDCRDZGZQIDLL-NRFANRHFSA-N 2 1 337.467 3.066 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2[NH2+]CCC2(C)C)cc1 ZINC000662675331 461343528 /nfs/dbraw/zinc/34/35/28/461343528.db2.gz LKKYVPPKSCSELG-VQIMIIECSA-N 2 1 343.515 3.065 20 0 EGADMP CCN(CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(C)c1 ZINC000655683346 461359199 /nfs/dbraw/zinc/35/91/99/461359199.db2.gz QOKPMWMPNGODTI-OAQYLSRUSA-N 2 1 345.531 3.054 20 0 EGADMP CCn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(-c2ccccc2)n1 ZINC000641775225 461366480 /nfs/dbraw/zinc/36/64/80/461366480.db2.gz YSDWBUBDNHUGCE-QGZVFWFLSA-N 2 1 326.488 3.392 20 0 EGADMP Nc1c(F)cccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000638343724 461378208 /nfs/dbraw/zinc/37/82/08/461378208.db2.gz LJAAWTBXUMBTBB-UHFFFAOYSA-N 2 1 327.447 3.205 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1cccc(Cl)c1Cl ZINC000641804021 461381382 /nfs/dbraw/zinc/38/13/82/461381382.db2.gz HEQFQUNDGJIABA-KPXOXKRLSA-N 2 1 330.259 3.036 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000655713218 461383221 /nfs/dbraw/zinc/38/32/21/461383221.db2.gz YSLAQBDUNDOQTM-HNNXBMFYSA-N 2 1 330.451 3.141 20 0 EGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Sc1ccccc1 ZINC000655719202 461387214 /nfs/dbraw/zinc/38/72/14/461387214.db2.gz HXFJLXDTZMCUGC-FUHWJXTLSA-N 2 1 334.529 3.400 20 0 EGADMP O=C(CCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)NC1CC1 ZINC000638367556 461390898 /nfs/dbraw/zinc/39/08/98/461390898.db2.gz WTLPZNFECGKVCV-ICSRJNTNSA-N 2 1 341.499 3.003 20 0 EGADMP O=C(CCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)NC1CC1 ZINC000638367556 461390905 /nfs/dbraw/zinc/39/09/05/461390905.db2.gz WTLPZNFECGKVCV-ICSRJNTNSA-N 2 1 341.499 3.003 20 0 EGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655757061 461421844 /nfs/dbraw/zinc/42/18/44/461421844.db2.gz APPRLRAOMGESRY-QGZVFWFLSA-N 2 1 342.405 3.357 20 0 EGADMP C[N@@H+](CC1=CCSC1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000668775942 461429251 /nfs/dbraw/zinc/42/92/51/461429251.db2.gz UHFRVYHXPGEETP-UHFFFAOYSA-N 2 1 332.513 3.266 20 0 EGADMP Nc1c(F)cccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000638447923 461432907 /nfs/dbraw/zinc/43/29/07/461432907.db2.gz PHKZNEXHTYAWLA-AWEZNQCLSA-N 2 1 333.476 3.471 20 0 EGADMP Nc1c(F)cccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000638447923 461432913 /nfs/dbraw/zinc/43/29/13/461432913.db2.gz PHKZNEXHTYAWLA-AWEZNQCLSA-N 2 1 333.476 3.471 20 0 EGADMP C[C@@H](CCOCc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655768942 461433782 /nfs/dbraw/zinc/43/37/82/461433782.db2.gz SQXQXPIJOUNKBJ-RXVVDRJESA-N 2 1 346.515 3.215 20 0 EGADMP COc1cccc([C@@H]2C[C@H]2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655776806 461439678 /nfs/dbraw/zinc/43/96/78/461439678.db2.gz PHPOSFRMKRODCM-WMQCIHAUSA-N 2 1 344.499 3.032 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000647010566 461481227 /nfs/dbraw/zinc/48/12/27/461481227.db2.gz SUNYKRBPFQAUTI-PKOBYXMFSA-N 2 1 331.504 3.118 20 0 EGADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC[C@@H]2CCc3ccccc32)CC1 ZINC000659891568 461484980 /nfs/dbraw/zinc/48/49/80/461484980.db2.gz OTQQOAQPVWUYGN-XLIONFOSSA-N 2 1 330.516 3.131 20 0 EGADMP COCCc1ncc(C[NH2+]CCC[N@H+](C)C2CCCCC2)s1 ZINC000631041647 461493010 /nfs/dbraw/zinc/49/30/10/461493010.db2.gz IGEAGRCLNSZUNV-UHFFFAOYSA-N 2 1 325.522 3.076 20 0 EGADMP COCCc1ncc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)s1 ZINC000631041647 461493017 /nfs/dbraw/zinc/49/30/17/461493017.db2.gz IGEAGRCLNSZUNV-UHFFFAOYSA-N 2 1 325.522 3.076 20 0 EGADMP c1[nH]nc2c1C[C@@H]([NH2+][C@H]1CC[N@@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000638665026 461521804 /nfs/dbraw/zinc/52/18/04/461521804.db2.gz XZOXKPIZDHIHIN-WFXMLNOXSA-N 2 1 336.483 3.225 20 0 EGADMP c1[nH]nc2c1C[C@@H]([NH2+][C@H]1CC[N@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000638665026 461521811 /nfs/dbraw/zinc/52/18/11/461521811.db2.gz XZOXKPIZDHIHIN-WFXMLNOXSA-N 2 1 336.483 3.225 20 0 EGADMP O[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638678729 461529881 /nfs/dbraw/zinc/52/98/81/461529881.db2.gz PDBHCGGCOIHLHO-QAKNJHSXSA-N 2 1 328.500 3.495 20 0 EGADMP O[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638678729 461529888 /nfs/dbraw/zinc/52/98/88/461529888.db2.gz PDBHCGGCOIHLHO-QAKNJHSXSA-N 2 1 328.500 3.495 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CCC[NH+]2CCC(C)CC2)o1 ZINC000647169084 461537175 /nfs/dbraw/zinc/53/71/75/461537175.db2.gz YUGUNFHHAXMBQT-UHFFFAOYSA-N 2 1 330.476 3.200 20 0 EGADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCSc3ccc(F)cc3F)CC[C@H]21 ZINC000660010693 461544898 /nfs/dbraw/zinc/54/48/98/461544898.db2.gz KVPHUPJHFBPYBR-CZUORRHYSA-N 2 1 326.456 3.473 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCSc3ccc(F)cc3F)CC[C@H]21 ZINC000660010693 461544907 /nfs/dbraw/zinc/54/49/07/461544907.db2.gz KVPHUPJHFBPYBR-CZUORRHYSA-N 2 1 326.456 3.473 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCSc3ccc(F)cc3F)CC[C@H]21 ZINC000660010693 461544917 /nfs/dbraw/zinc/54/49/17/461544917.db2.gz KVPHUPJHFBPYBR-CZUORRHYSA-N 2 1 326.456 3.473 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCSc3ccc(F)cc3F)CC[C@H]21 ZINC000660010693 461544920 /nfs/dbraw/zinc/54/49/20/461544920.db2.gz KVPHUPJHFBPYBR-CZUORRHYSA-N 2 1 326.456 3.473 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(=O)[nH]c2)C[N@H+]1Cc1ccccc1 ZINC000631099161 461549573 /nfs/dbraw/zinc/54/95/73/461549573.db2.gz GEKFRAYEWAZBRB-AEFFLSMTSA-N 2 1 325.456 3.178 20 0 EGADMP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638756501 461561684 /nfs/dbraw/zinc/56/16/84/461561684.db2.gz NQUWIESWTFLDGL-DWIQEWEKSA-N 2 1 344.499 3.138 20 0 EGADMP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638756501 461561691 /nfs/dbraw/zinc/56/16/91/461561691.db2.gz NQUWIESWTFLDGL-DWIQEWEKSA-N 2 1 344.499 3.138 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631129720 461576710 /nfs/dbraw/zinc/57/67/10/461576710.db2.gz QVLQMCYKRZGZHP-GOSISDBHSA-N 2 1 325.456 3.178 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631129720 461576717 /nfs/dbraw/zinc/57/67/17/461576717.db2.gz QVLQMCYKRZGZHP-GOSISDBHSA-N 2 1 325.456 3.178 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000663346250 461577274 /nfs/dbraw/zinc/57/72/74/461577274.db2.gz RPSALUFRWBZMQT-BVYCBKJFSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346250 461577283 /nfs/dbraw/zinc/57/72/83/461577283.db2.gz RPSALUFRWBZMQT-BVYCBKJFSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346250 461577293 /nfs/dbraw/zinc/57/72/93/461577293.db2.gz RPSALUFRWBZMQT-BVYCBKJFSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346250 461577303 /nfs/dbraw/zinc/57/73/03/461577303.db2.gz RPSALUFRWBZMQT-BVYCBKJFSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346250 461577311 /nfs/dbraw/zinc/57/73/11/461577311.db2.gz RPSALUFRWBZMQT-BVYCBKJFSA-N 2 1 341.543 3.219 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2[C@H](C)C[NH+](C)[C@H](C)[C@@H]2C)cc1)C(C)C ZINC000650149804 461600396 /nfs/dbraw/zinc/60/03/96/461600396.db2.gz KKPSRRILQDWPRG-KURKYZTESA-N 2 1 345.531 3.470 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)cc1)C(C)C ZINC000650149804 461600402 /nfs/dbraw/zinc/60/04/02/461600402.db2.gz KKPSRRILQDWPRG-KURKYZTESA-N 2 1 345.531 3.470 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]2C)cc1)C(C)C ZINC000650149804 461600408 /nfs/dbraw/zinc/60/04/08/461600408.db2.gz KKPSRRILQDWPRG-KURKYZTESA-N 2 1 345.531 3.470 20 0 EGADMP CN(CC[N@@H+](C)CC[C@@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000660139062 461604500 /nfs/dbraw/zinc/60/45/00/461604500.db2.gz HSLWCBOWTUOXIX-IBGZPJMESA-N 2 1 329.532 3.064 20 0 EGADMP COc1ccc([C@H](CC(C)C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000647284270 461611044 /nfs/dbraw/zinc/61/10/44/461611044.db2.gz JPBCYSALBXMCLC-FQEVSTJZSA-N 2 1 334.504 3.219 20 0 EGADMP CC(C)n1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631195789 461636695 /nfs/dbraw/zinc/63/66/95/461636695.db2.gz JZLHLRCDHAWXEY-PXNSSMCTSA-N 2 1 326.488 3.322 20 0 EGADMP CC(C)n1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631195789 461636702 /nfs/dbraw/zinc/63/67/02/461636702.db2.gz JZLHLRCDHAWXEY-PXNSSMCTSA-N 2 1 326.488 3.322 20 0 EGADMP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467964 461657565 /nfs/dbraw/zinc/65/75/65/461657565.db2.gz IZPZBRHBMKZKLJ-HKUYNNGSSA-N 2 1 343.515 3.140 20 0 EGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663470537 461660161 /nfs/dbraw/zinc/66/01/61/461660161.db2.gz VAWCITSZZQBOGT-MJGOQNOKSA-N 2 1 343.515 3.424 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc([C@@H](C)[NH3+])cc3)C2)cc1 ZINC000639001857 461674901 /nfs/dbraw/zinc/67/49/01/461674901.db2.gz POVQSUPKJJMIGB-UZLBHIALSA-N 2 1 337.467 3.019 20 0 EGADMP C[NH+](C)C1(CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000639085235 461717852 /nfs/dbraw/zinc/71/78/52/461717852.db2.gz DQMJTFJGDRMSNW-ICSRJNTNSA-N 2 1 327.516 3.428 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1c[nH+]ccc1N ZINC000643453285 461731211 /nfs/dbraw/zinc/73/12/11/461731211.db2.gz YSHQGUBSYRHMII-KBPBESRZSA-N 2 1 330.863 3.325 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000643458597 461734212 /nfs/dbraw/zinc/73/42/12/461734212.db2.gz ISQDWIKAMJAAIO-WDCWCFNPSA-N 2 1 332.332 3.484 20 0 EGADMP C[C@H](N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@H]1CCC[NH2+]1 ZINC000643480202 461741039 /nfs/dbraw/zinc/74/10/39/461741039.db2.gz FTOPEMDQMNLFQY-AYZHRIAMSA-N 2 1 327.516 3.017 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3CC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000643497158 461746063 /nfs/dbraw/zinc/74/60/63/461746063.db2.gz HKAXZNSOOCPHJR-HKBOAZHASA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(CN2CC[C@H]([NH2+]CC3CC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000643497158 461746069 /nfs/dbraw/zinc/74/60/69/461746069.db2.gz HKAXZNSOOCPHJR-HKBOAZHASA-N 2 1 327.516 3.019 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637867349 461747092 /nfs/dbraw/zinc/74/70/92/461747092.db2.gz HHIIUYSEABNHIA-LJQANCHMSA-N 2 1 343.515 3.161 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647535669 461752808 /nfs/dbraw/zinc/75/28/08/461752808.db2.gz UGQLBAZOXNRWCE-OAHLLOKOSA-N 2 1 332.879 3.146 20 0 EGADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000647544088 461760275 /nfs/dbraw/zinc/76/02/75/461760275.db2.gz WOASNDDQJNADEN-RTBURBONSA-N 2 1 338.499 3.299 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000656534178 461776314 /nfs/dbraw/zinc/77/63/14/461776314.db2.gz GYYDKIJSEMODDX-HXUWFJFHSA-N 2 1 344.886 3.239 20 0 EGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000653671640 461798014 /nfs/dbraw/zinc/79/80/14/461798014.db2.gz ONNBHLSTTOJKTR-RDJZCZTQSA-N 2 1 344.421 3.197 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000653671640 461798019 /nfs/dbraw/zinc/79/80/19/461798019.db2.gz ONNBHLSTTOJKTR-RDJZCZTQSA-N 2 1 344.421 3.197 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000653671640 461798026 /nfs/dbraw/zinc/79/80/26/461798026.db2.gz ONNBHLSTTOJKTR-RDJZCZTQSA-N 2 1 344.421 3.197 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000653671640 461798032 /nfs/dbraw/zinc/79/80/32/461798032.db2.gz ONNBHLSTTOJKTR-RDJZCZTQSA-N 2 1 344.421 3.197 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000639210748 461805764 /nfs/dbraw/zinc/80/57/64/461805764.db2.gz JAFAYHOWMCNVFA-BXUZGUMPSA-N 2 1 344.286 3.394 20 0 EGADMP O[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639247447 461825041 /nfs/dbraw/zinc/82/50/41/461825041.db2.gz KVJBPRHIKBWBRE-UKAVVXHISA-N 2 1 328.500 3.495 20 0 EGADMP O[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639247447 461825047 /nfs/dbraw/zinc/82/50/47/461825047.db2.gz KVJBPRHIKBWBRE-UKAVVXHISA-N 2 1 328.500 3.495 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000647794211 461838070 /nfs/dbraw/zinc/83/80/70/461838070.db2.gz UNCDDEBXWGUHRP-SGCGGLILSA-N 3 1 341.543 3.265 20 0 EGADMP Oc1cccc(C[N@H+](CCC[NH+]2CCCCC2)[C@H]2CC[C@H](O)CC2)c1 ZINC000653767704 461847778 /nfs/dbraw/zinc/84/77/78/461847778.db2.gz HAHMUMKRMXUUII-MXVIHJGJSA-N 2 1 346.515 3.374 20 0 EGADMP COCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000647879572 461868515 /nfs/dbraw/zinc/86/85/15/461868515.db2.gz RJQQGJAIRRDAFK-KGLIPLIRSA-N 2 1 330.394 3.324 20 0 EGADMP COc1ccc(CC[C@@H]2CCCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1OC ZINC000647883481 461870580 /nfs/dbraw/zinc/87/05/80/461870580.db2.gz VYLCLQZYFKHIQQ-MSOLQXFVSA-N 2 1 332.488 3.100 20 0 EGADMP c1cc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000656782414 461892404 /nfs/dbraw/zinc/89/24/04/461892404.db2.gz GJOBDKXHBPRFAJ-HNNXBMFYSA-N 2 1 330.501 3.350 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C/C=C/c3ccc(F)cc3F)C2)C1 ZINC000650707607 461901876 /nfs/dbraw/zinc/90/18/76/461901876.db2.gz JGAFJUVIEZGDFX-TXWORJNHSA-N 2 1 336.426 3.196 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)s3)C2)C1 ZINC000650707355 461902418 /nfs/dbraw/zinc/90/24/18/461902418.db2.gz DHJMQMWYKPVMSL-YRGRVCCFSA-N 2 1 348.434 3.485 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000647961635 461909811 /nfs/dbraw/zinc/90/98/11/461909811.db2.gz VNMHOBAPDVZUDJ-KRWDZBQOSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2ccc(C[NH3+])cc2F)C1 ZINC000650717612 461909927 /nfs/dbraw/zinc/90/99/27/461909927.db2.gz HEUHHGCCDDJFAH-HNAYVOBHSA-N 2 1 327.447 3.210 20 0 EGADMP COc1cccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1OC(F)F ZINC000650718428 461910236 /nfs/dbraw/zinc/91/02/36/461910236.db2.gz MEEITINCAOQQAA-UHFFFAOYSA-N 2 1 340.345 3.184 20 0 EGADMP Cc1nsc(C)c1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000647962224 461910513 /nfs/dbraw/zinc/91/05/13/461910513.db2.gz SDXXZDJLSOVDKQ-OKILXGFUSA-N 2 1 337.533 3.081 20 0 EGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000647965115 461910739 /nfs/dbraw/zinc/91/07/39/461910739.db2.gz HEPOCSUPUSGJFD-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000647965115 461910745 /nfs/dbraw/zinc/91/07/45/461910745.db2.gz HEPOCSUPUSGJFD-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000647965115 461910750 /nfs/dbraw/zinc/91/07/50/461910750.db2.gz HEPOCSUPUSGJFD-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)Cc1ccc3ccccc3c1)C2 ZINC000660660915 461911088 /nfs/dbraw/zinc/91/10/88/461911088.db2.gz BEDAUKHZTSHRAP-VXKWHMMOSA-N 2 1 338.495 3.161 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)Cc1ccc3ccccc3c1)C2 ZINC000660660915 461911092 /nfs/dbraw/zinc/91/10/92/461911092.db2.gz BEDAUKHZTSHRAP-VXKWHMMOSA-N 2 1 338.495 3.161 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)Cc1ccc3ccccc3c1)C2 ZINC000660660915 461911096 /nfs/dbraw/zinc/91/10/96/461911096.db2.gz BEDAUKHZTSHRAP-VXKWHMMOSA-N 2 1 338.495 3.161 20 0 EGADMP CCCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650722273 461913739 /nfs/dbraw/zinc/91/37/39/461913739.db2.gz ONFCHNZSOKTERA-SXLOBPIMSA-N 2 1 332.488 3.336 20 0 EGADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976563 461918521 /nfs/dbraw/zinc/91/85/21/461918521.db2.gz QDVXFRGERBTJDP-FHWLQOOXSA-N 2 1 343.515 3.342 20 0 EGADMP c1cc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)cs1 ZINC000647976961 461918912 /nfs/dbraw/zinc/91/89/12/461918912.db2.gz WJHXPMHLIVCCTK-ZIAGYGMSSA-N 2 1 332.473 3.010 20 0 EGADMP C[C@@H](c1ccccc1)[C@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679895 461922683 /nfs/dbraw/zinc/92/26/83/461922683.db2.gz QUFHKAJRTPWWLF-PGRDOPGGSA-N 2 1 338.495 3.405 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@@H]1C[NH3+] ZINC000667039593 461924241 /nfs/dbraw/zinc/92/42/41/461924241.db2.gz XZJCHIONVLTWRG-YOEHRIQHSA-N 2 1 332.879 3.002 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@@H]1C[NH3+] ZINC000667039593 461924243 /nfs/dbraw/zinc/92/42/43/461924243.db2.gz XZJCHIONVLTWRG-YOEHRIQHSA-N 2 1 332.879 3.002 20 0 EGADMP CC(C)C[NH2+]C1(CO)CC[NH+](CC[C@@H](C)OCc2ccccc2)CC1 ZINC000660697940 461928683 /nfs/dbraw/zinc/92/86/83/461928683.db2.gz LGJGBXCRTUYWOT-LJQANCHMSA-N 2 1 348.531 3.054 20 0 EGADMP CC(C)C[NH2+]C1(CO)CC[NH+](CC[C@H](C)OCc2ccccc2)CC1 ZINC000660697939 461928749 /nfs/dbraw/zinc/92/87/49/461928749.db2.gz LGJGBXCRTUYWOT-IBGZPJMESA-N 2 1 348.531 3.054 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660856515 461997278 /nfs/dbraw/zinc/99/72/78/461997278.db2.gz NQFBJRNGLPZAGQ-UHFFFAOYSA-N 2 1 337.471 3.413 20 0 EGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657315901 462039799 /nfs/dbraw/zinc/03/97/99/462039799.db2.gz SUUVWMHHMBVDAD-INIZCTEOSA-N 2 1 329.419 3.444 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657315901 462039802 /nfs/dbraw/zinc/03/98/02/462039802.db2.gz SUUVWMHHMBVDAD-INIZCTEOSA-N 2 1 329.419 3.444 20 0 EGADMP c1ccc(-c2ncc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)cn2)cc1 ZINC000639701818 462067753 /nfs/dbraw/zinc/06/77/53/462067753.db2.gz CGDMTAXUJHROLW-UHFFFAOYSA-N 2 1 345.450 3.251 20 0 EGADMP c1nc2n(c1C[NH2+]C[C@H]1CCCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000657468692 462142099 /nfs/dbraw/zinc/14/20/99/462142099.db2.gz AVORPPRNOQTCSD-LJQANCHMSA-N 2 1 338.499 3.221 20 0 EGADMP c1nc2n(c1C[NH2+]C[C@H]1CCCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000657468692 462142104 /nfs/dbraw/zinc/14/21/04/462142104.db2.gz AVORPPRNOQTCSD-LJQANCHMSA-N 2 1 338.499 3.221 20 0 EGADMP Cc1c(Br)cncc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000657488593 462154227 /nfs/dbraw/zinc/15/42/27/462154227.db2.gz SKPAVSCNAZSYSL-UHFFFAOYSA-N 2 1 326.282 3.117 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000639907129 462164848 /nfs/dbraw/zinc/16/48/48/462164848.db2.gz MJLXEPNVVNRSLX-SJORKVTESA-N 2 1 337.826 3.265 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccncn1 ZINC000651324304 462179895 /nfs/dbraw/zinc/17/98/95/462179895.db2.gz ZBRRKLHQLSZEKQ-XFIJJGBISA-N 2 1 336.483 3.428 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccncn1 ZINC000651324304 462179902 /nfs/dbraw/zinc/17/99/02/462179902.db2.gz ZBRRKLHQLSZEKQ-XFIJJGBISA-N 2 1 336.483 3.428 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)cc2)C1 ZINC000657594566 462198068 /nfs/dbraw/zinc/19/80/68/462198068.db2.gz BRZUUEIUTPJNOE-FKBYEOEOSA-N 2 1 336.479 3.147 20 0 EGADMP Clc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ncccc12 ZINC000657751623 462251787 /nfs/dbraw/zinc/25/17/87/462251787.db2.gz SWYGOEPEFIADQZ-INIZCTEOSA-N 2 1 345.874 3.231 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000648753132 462262115 /nfs/dbraw/zinc/26/21/15/462262115.db2.gz DJKFSZHHDNMJRV-QGZVFWFLSA-N 2 1 346.519 3.121 20 0 EGADMP CC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000665290451 462387269 /nfs/dbraw/zinc/38/72/69/462387269.db2.gz AGNZLTZXDGEHSA-ZDUSSCGKSA-N 2 1 341.242 3.189 20 0 EGADMP C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533979 462432275 /nfs/dbraw/zinc/43/22/75/462432275.db2.gz YRTJHDZPIFZCTH-MRXNPFEDSA-N 2 1 342.487 3.332 20 0 EGADMP C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533979 462432276 /nfs/dbraw/zinc/43/22/76/462432276.db2.gz YRTJHDZPIFZCTH-MRXNPFEDSA-N 2 1 342.487 3.332 20 0 EGADMP Cc1noc(C2CCC([NH2+][C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)n1 ZINC000658228165 462435208 /nfs/dbraw/zinc/43/52/08/462435208.db2.gz GWIHLONEIBCHSX-JCYILVPMSA-N 2 1 332.492 3.401 20 0 EGADMP Cc1noc(C2CCC([NH2+][C@H]3CC[N@H+](C4CCCCC4)C3)CC2)n1 ZINC000658228165 462435212 /nfs/dbraw/zinc/43/52/12/462435212.db2.gz GWIHLONEIBCHSX-JCYILVPMSA-N 2 1 332.492 3.401 20 0 EGADMP CC(C)C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000649211576 462440918 /nfs/dbraw/zinc/44/09/18/462440918.db2.gz VNNAPABVJZWOBW-IZBJGVDFSA-N 2 1 345.531 3.208 20 0 EGADMP OC[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC1CC1 ZINC000658257299 462445862 /nfs/dbraw/zinc/44/58/62/462445862.db2.gz ZLDYAXYHIYVFIO-NCYKPQTJSA-N 2 1 328.500 3.180 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccncn1 ZINC000658317553 462474666 /nfs/dbraw/zinc/47/46/66/462474666.db2.gz MRORPJNDWBPRRH-IEBWSBKVSA-N 2 1 336.483 3.430 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccncn1 ZINC000658317553 462474670 /nfs/dbraw/zinc/47/46/70/462474670.db2.gz MRORPJNDWBPRRH-IEBWSBKVSA-N 2 1 336.483 3.430 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000649370746 462489998 /nfs/dbraw/zinc/48/99/98/462489998.db2.gz WNLRARPMYAXXCX-LJQANCHMSA-N 2 1 343.515 3.323 20 0 EGADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2OCC(=O)OC)CC1 ZINC000183503440 528463006 /nfs/dbraw/zinc/46/30/06/528463006.db2.gz DECJARBUDBJTHD-MRXNPFEDSA-N 2 1 348.487 3.154 20 0 EGADMP CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)CN3CC[NH+](C)CC3)oc21 ZINC000181721004 528700943 /nfs/dbraw/zinc/70/09/43/528700943.db2.gz CJDZOXLLJXAYSG-HOTGVXAUSA-N 2 1 345.487 3.118 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)c1ccc(F)cc1F ZINC000191508477 528863416 /nfs/dbraw/zinc/86/34/16/528863416.db2.gz RDRCNFFCOWMKJR-QGZVFWFLSA-N 2 1 337.414 3.169 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)c1ccc(F)cc1F ZINC000191508477 528863422 /nfs/dbraw/zinc/86/34/22/528863422.db2.gz RDRCNFFCOWMKJR-QGZVFWFLSA-N 2 1 337.414 3.169 20 0 EGADMP CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000338046323 535575630 /nfs/dbraw/zinc/57/56/30/535575630.db2.gz BTLOZXIECCOBLJ-MRXNPFEDSA-N 2 1 331.504 3.131 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000338152957 535601771 /nfs/dbraw/zinc/60/17/71/535601771.db2.gz ZYBNTZCLEKDLLO-MSOLQXFVSA-N 2 1 345.531 3.379 20 0 EGADMP CCn1nccc1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000350552745 535868357 /nfs/dbraw/zinc/86/83/57/535868357.db2.gz FABVUMSYAFPERB-QUCCMNQESA-N 2 1 326.488 3.075 20 0 EGADMP COC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CCOCC1 ZINC000188025107 536716211 /nfs/dbraw/zinc/71/62/11/536716211.db2.gz PXMIGUWNDYUTJF-DYESRHJHSA-N 2 1 346.515 3.243 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000166451003 546989313 /nfs/dbraw/zinc/98/93/13/546989313.db2.gz RUFLSUKMQSHHQU-ZIAGYGMSSA-N 2 1 328.378 3.430 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000166451003 546989318 /nfs/dbraw/zinc/98/93/18/546989318.db2.gz RUFLSUKMQSHHQU-ZIAGYGMSSA-N 2 1 328.378 3.430 20 0 EGADMP C[C@@H]([NH2+]CC1(CO)CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310119084 547461340 /nfs/dbraw/zinc/46/13/40/547461340.db2.gz HRKNMGGMVCGWFM-UYAOXDASSA-N 2 1 330.516 3.429 20 0 EGADMP O=C(Nc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1)C1CCC1 ZINC000339071471 547569322 /nfs/dbraw/zinc/56/93/22/547569322.db2.gz QOKIIWRHCTXLTB-MJGOQNOKSA-N 2 1 327.472 3.142 20 0 EGADMP O=C(Nc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1)C1CCC1 ZINC000339071471 547569324 /nfs/dbraw/zinc/56/93/24/547569324.db2.gz QOKIIWRHCTXLTB-MJGOQNOKSA-N 2 1 327.472 3.142 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)cn1 ZINC000374205317 547804532 /nfs/dbraw/zinc/80/45/32/547804532.db2.gz OQYWVQYQQCHZJT-MRXNPFEDSA-N 2 1 343.434 3.314 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000390529163 547827941 /nfs/dbraw/zinc/82/79/41/547827941.db2.gz KTWZJOFGZDNOJK-PLACYPQZSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000390529163 547827944 /nfs/dbraw/zinc/82/79/44/547827944.db2.gz KTWZJOFGZDNOJK-PLACYPQZSA-N 2 1 327.516 3.161 20 0 EGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000414922062 547861896 /nfs/dbraw/zinc/86/18/96/547861896.db2.gz GGMNBRGJFWUHJU-KBPBESRZSA-N 2 1 349.276 3.199 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OCCC(C)C ZINC000584594097 548097569 /nfs/dbraw/zinc/09/75/69/548097569.db2.gz RXDCNSGVGFNMEJ-QZTJIDSGSA-N 2 1 332.488 3.161 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OCCC(C)C ZINC000584594097 548097572 /nfs/dbraw/zinc/09/75/72/548097572.db2.gz RXDCNSGVGFNMEJ-QZTJIDSGSA-N 2 1 332.488 3.161 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000675492058 548928887 /nfs/dbraw/zinc/92/88/87/548928887.db2.gz RPYCEAFOFZIJJQ-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1ccccc1C[N@@H+]1CCCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000676085112 549035555 /nfs/dbraw/zinc/03/55/55/549035555.db2.gz IBJHFRBVFCZLOG-UHFFFAOYSA-N 2 1 329.532 3.235 20 0 EGADMP Cc1oc2ccccc2c1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000677520083 549284343 /nfs/dbraw/zinc/28/43/43/549284343.db2.gz QQDSXYFIFZAMDG-QGZVFWFLSA-N 2 1 328.456 3.474 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000678133464 549405493 /nfs/dbraw/zinc/40/54/93/549405493.db2.gz BERUFKGWAXZHKS-OAQYLSRUSA-N 2 1 340.467 3.201 20 0 EGADMP Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678340502 549472988 /nfs/dbraw/zinc/47/29/88/549472988.db2.gz YYZSGGLQBVTERZ-HXUWFJFHSA-N 2 1 342.487 3.006 20 0 EGADMP CC[C@H](C)Oc1cc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1OC ZINC000679364619 549697035 /nfs/dbraw/zinc/69/70/35/549697035.db2.gz HYCNMIDUZLDITI-JQHSSLGASA-N 2 1 332.488 3.399 20 0 EGADMP COC[C@H]1CCCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000681084640 549952410 /nfs/dbraw/zinc/95/24/10/549952410.db2.gz SMMCVPHPTFVXHH-FQEVSTJZSA-N 2 1 346.515 3.410 20 0 EGADMP CCc1cccc(Cl)c1CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000682778393 550143444 /nfs/dbraw/zinc/14/34/44/550143444.db2.gz DRVJJIZASUAYIA-QGZVFWFLSA-N 2 1 335.923 3.114 20 0 EGADMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000682912782 550162403 /nfs/dbraw/zinc/16/24/03/550162403.db2.gz JZFYFVSXNBOJEY-RTBURBONSA-N 2 1 344.547 3.420 20 0 EGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000683832320 550266971 /nfs/dbraw/zinc/26/69/71/550266971.db2.gz DGWLUFNQGXDPSE-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000769920977 1303194429 /nfs/dbraw/zinc/19/44/29/1303194429.db2.gz SHBSNUMUGPIWML-IRXDYDNUSA-N 2 1 339.524 3.144 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000069751992 1292251127 /nfs/dbraw/zinc/25/11/27/1292251127.db2.gz LHITVFKXTGMQQE-KRWDZBQOSA-N 2 1 340.515 3.370 20 0 EGADMP CCC(CC)[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000078966320 1292537409 /nfs/dbraw/zinc/53/74/09/1292537409.db2.gz YLHJHFDAOJJZKU-KRWDZBQOSA-N 2 1 341.540 3.342 20 0 EGADMP CCCC[NH+]1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000079000174 1292539479 /nfs/dbraw/zinc/53/94/79/1292539479.db2.gz COXMLUBYCBSPFQ-UHFFFAOYSA-N 2 1 338.879 3.465 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cn2cnc3cc(C)c(C)cc32)C1 ZINC000083114174 1292679881 /nfs/dbraw/zinc/67/98/81/1292679881.db2.gz USSCKKIITNWSMS-GOSISDBHSA-N 2 1 344.503 3.043 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000088703171 1292755169 /nfs/dbraw/zinc/75/51/69/1292755169.db2.gz QWBMYHTUQSQPHZ-GIVPXCGWSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](CN[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000088703171 1292755174 /nfs/dbraw/zinc/75/51/74/1292755174.db2.gz QWBMYHTUQSQPHZ-GIVPXCGWSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](CN[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000088703171 1292755182 /nfs/dbraw/zinc/75/51/82/1292755182.db2.gz QWBMYHTUQSQPHZ-GIVPXCGWSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000088703171 1292755190 /nfs/dbraw/zinc/75/51/90/1292755190.db2.gz QWBMYHTUQSQPHZ-GIVPXCGWSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000088703171 1292755195 /nfs/dbraw/zinc/75/51/95/1292755195.db2.gz QWBMYHTUQSQPHZ-GIVPXCGWSA-N 2 1 329.532 3.217 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(CC[NH+]4CCCC4)CC[C@@H]32)cc1 ZINC000089910011 1292781455 /nfs/dbraw/zinc/78/14/55/1292781455.db2.gz SNRCKPQJDSHCJM-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000093507507 1292923920 /nfs/dbraw/zinc/92/39/20/1292923920.db2.gz UDFYGJNLHZTJQC-TZIWHRDSSA-N 2 1 344.499 3.162 20 0 EGADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000106486047 1293051238 /nfs/dbraw/zinc/05/12/38/1293051238.db2.gz NHWUDWSSBJHYQQ-OAHLLOKOSA-N 2 1 347.890 3.326 20 0 EGADMP CC(=O)N1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000109068644 1293087322 /nfs/dbraw/zinc/08/73/22/1293087322.db2.gz WGUZWUYPCYSXRL-KRWDZBQOSA-N 2 1 343.515 3.162 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000120142860 1293306683 /nfs/dbraw/zinc/30/66/83/1293306683.db2.gz MNRSWLXVQCAYCV-IRXDYDNUSA-N 2 1 334.504 3.489 20 0 EGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000120797219 1293338150 /nfs/dbraw/zinc/33/81/50/1293338150.db2.gz KXUYAAHJYOBJSI-MRXNPFEDSA-N 2 1 330.451 3.060 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000120797219 1293338160 /nfs/dbraw/zinc/33/81/60/1293338160.db2.gz KXUYAAHJYOBJSI-MRXNPFEDSA-N 2 1 330.451 3.060 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000121803301 1293389561 /nfs/dbraw/zinc/38/95/61/1293389561.db2.gz JLJKQNUILPOBBB-ZWKOTPCHSA-N 2 1 333.520 3.010 20 0 EGADMP CC[N@@H+]1CCC[C@H](CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000121803301 1293389565 /nfs/dbraw/zinc/38/95/65/1293389565.db2.gz JLJKQNUILPOBBB-ZWKOTPCHSA-N 2 1 333.520 3.010 20 0 EGADMP CC[N@H+]1CCC[C@H](CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000121803301 1293389568 /nfs/dbraw/zinc/38/95/68/1293389568.db2.gz JLJKQNUILPOBBB-ZWKOTPCHSA-N 2 1 333.520 3.010 20 0 EGADMP CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000121803301 1293389571 /nfs/dbraw/zinc/38/95/71/1293389571.db2.gz JLJKQNUILPOBBB-ZWKOTPCHSA-N 2 1 333.520 3.010 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000136299297 1293813913 /nfs/dbraw/zinc/81/39/13/1293813913.db2.gz OKWSDLJOXUBFJI-IBGZPJMESA-N 2 1 340.471 3.017 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000136299297 1293813920 /nfs/dbraw/zinc/81/39/20/1293813920.db2.gz OKWSDLJOXUBFJI-IBGZPJMESA-N 2 1 340.471 3.017 20 0 EGADMP CC(=O)Oc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185767756 1295284830 /nfs/dbraw/zinc/28/48/30/1295284830.db2.gz DHNSDLFEBGDRQZ-MAUKXSAKSA-N 2 1 330.472 3.355 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000870907250 1296136210 /nfs/dbraw/zinc/13/62/10/1296136210.db2.gz JIFPUIKRXHFVNB-QRQLOZEOSA-N 2 1 335.536 3.007 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000870958966 1296154640 /nfs/dbraw/zinc/15/46/40/1296154640.db2.gz OLVCORWHIOUESN-FQEVSTJZSA-N 2 1 345.531 3.306 20 0 EGADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cnn(-c2ccc(F)cc2)c1)C(C)(C)C ZINC000236985330 1296215808 /nfs/dbraw/zinc/21/58/08/1296215808.db2.gz SJFQZXPFPYCSOM-GOSISDBHSA-N 2 1 332.467 3.467 20 0 EGADMP C[C@@H](C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)C[NH+]1CCCC1 ZINC000237424822 1296241686 /nfs/dbraw/zinc/24/16/86/1296241686.db2.gz YJHAUORNIPIFPV-HNNXBMFYSA-N 2 1 332.879 3.347 20 0 EGADMP FC(F)(F)COc1cccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000237702461 1296258586 /nfs/dbraw/zinc/25/85/86/1296258586.db2.gz SIBDJXPMLBESOV-CVEARBPZSA-N 2 1 328.378 3.344 20 0 EGADMP FC(F)(F)COc1cccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1 ZINC000237702461 1296258598 /nfs/dbraw/zinc/25/85/98/1296258598.db2.gz SIBDJXPMLBESOV-CVEARBPZSA-N 2 1 328.378 3.344 20 0 EGADMP CCCCC[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248182003 1296407950 /nfs/dbraw/zinc/40/79/50/1296407950.db2.gz WOJDUQOQIISWJO-YLJYHZDGSA-N 2 1 345.531 3.442 20 0 EGADMP Clc1cccc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)c1 ZINC000261614270 1296596019 /nfs/dbraw/zinc/59/60/19/1296596019.db2.gz FDTRDYRBLCLTHR-MRXNPFEDSA-N 2 1 346.862 3.354 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+]CCC2(C)C)cc1)C(C)C ZINC000872296942 1296903714 /nfs/dbraw/zinc/90/37/14/1296903714.db2.gz CBRNTFGRBAJQMH-UHFFFAOYSA-N 2 1 331.504 3.131 20 0 EGADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CCCC1 ZINC000305462850 1297013842 /nfs/dbraw/zinc/01/38/42/1297013842.db2.gz NLYWOMNKFHIKTK-HOTGVXAUSA-N 2 1 339.524 3.286 20 0 EGADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000310877116 1297102096 /nfs/dbraw/zinc/10/20/96/1297102096.db2.gz HGKATPCYRWRQDW-WIYYLYMNSA-N 2 1 342.458 3.361 20 0 EGADMP C[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](c2ccc(F)cc2)O1 ZINC000873205606 1297349600 /nfs/dbraw/zinc/34/96/00/1297349600.db2.gz PNEHJHWRDSODFX-UGSOOPFHSA-N 2 1 346.471 3.495 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](c2ccc(F)cc2)O1 ZINC000873205606 1297349614 /nfs/dbraw/zinc/34/96/14/1297349614.db2.gz PNEHJHWRDSODFX-UGSOOPFHSA-N 2 1 346.471 3.495 20 0 EGADMP Cn1nnc2cc(C[N@H+]3CCC[C@H](C[C@@H]([NH3+])C4CCCC4)C3)ccc21 ZINC000873232002 1297371990 /nfs/dbraw/zinc/37/19/90/1297371990.db2.gz IWAFGSLSQCQKGA-CRAIPNDOSA-N 2 1 341.503 3.088 20 0 EGADMP CC[N@@H+](CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)CC(C)C ZINC000355456097 1297454753 /nfs/dbraw/zinc/45/47/53/1297454753.db2.gz MXSGNZLEMUJBDF-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(F)cccc1F ZINC000386011995 1297587228 /nfs/dbraw/zinc/58/72/28/1297587228.db2.gz VLKPQXCFWMIHPQ-LPHOPBHVSA-N 2 1 346.421 3.110 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000391872008 1297647460 /nfs/dbraw/zinc/64/74/60/1297647460.db2.gz UVIFOYUFBVJKTR-OIISXLGYSA-N 2 1 342.405 3.155 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000391872008 1297647467 /nfs/dbraw/zinc/64/74/67/1297647467.db2.gz UVIFOYUFBVJKTR-OIISXLGYSA-N 2 1 342.405 3.155 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000391872008 1297647472 /nfs/dbraw/zinc/64/74/72/1297647472.db2.gz UVIFOYUFBVJKTR-OIISXLGYSA-N 2 1 342.405 3.155 20 0 EGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000398154089 1297715229 /nfs/dbraw/zinc/71/52/29/1297715229.db2.gz ZJSPUPMRGXZZLF-OPYAIIAOSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000398154089 1297715237 /nfs/dbraw/zinc/71/52/37/1297715237.db2.gz ZJSPUPMRGXZZLF-OPYAIIAOSA-N 3 1 329.532 3.217 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1O ZINC000398229613 1297716908 /nfs/dbraw/zinc/71/69/08/1297716908.db2.gz ZGEYPYCDQDFBHS-LPHOPBHVSA-N 2 1 340.467 3.401 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1O ZINC000398229613 1297716919 /nfs/dbraw/zinc/71/69/19/1297716919.db2.gz ZGEYPYCDQDFBHS-LPHOPBHVSA-N 2 1 340.467 3.401 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cccnc3CC2)[C@@H](C)C1 ZINC000421829261 1297793088 /nfs/dbraw/zinc/79/30/88/1297793088.db2.gz HHRSJCGXZJRSRZ-IHPCNDPISA-N 2 1 345.531 3.056 20 0 EGADMP O=C(NCCCCCCC[NH+]1CCCC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000874174995 1297810054 /nfs/dbraw/zinc/81/00/54/1297810054.db2.gz UGTOLFIJLUCILH-LJQANCHMSA-N 2 1 335.536 3.166 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000704046827 1298204330 /nfs/dbraw/zinc/20/43/30/1298204330.db2.gz WBDMXHYVGQIMEL-MDNKFWRPSA-N 2 1 343.515 3.063 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000704372615 1298206424 /nfs/dbraw/zinc/20/64/24/1298206424.db2.gz GHVKAGCBZICMHD-YESZJQIVSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000704372610 1298206936 /nfs/dbraw/zinc/20/69/36/1298206936.db2.gz GHVKAGCBZICMHD-BBWFWOEESA-N 2 1 339.524 3.096 20 0 EGADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)CCCCC[NH3+] ZINC000719967293 1298325563 /nfs/dbraw/zinc/32/55/63/1298325563.db2.gz FCTLMVRAWFUONK-LJQANCHMSA-N 2 1 331.504 3.019 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000746147960 1298543695 /nfs/dbraw/zinc/54/36/95/1298543695.db2.gz SNWFVCXTMHACJS-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000746147960 1298543705 /nfs/dbraw/zinc/54/37/05/1298543705.db2.gz SNWFVCXTMHACJS-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP CSC(C)(C)CC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000876693081 1298925443 /nfs/dbraw/zinc/92/54/43/1298925443.db2.gz PIISEJRMRHBNOQ-UHFFFAOYSA-N 2 1 349.588 3.268 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000876810776 1299005923 /nfs/dbraw/zinc/00/59/23/1299005923.db2.gz DLTPFSIZWGFSOA-SVFBPWRDSA-N 2 1 346.515 3.467 20 0 EGADMP CC(C)([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000749073021 1299136211 /nfs/dbraw/zinc/13/62/11/1299136211.db2.gz LDSYYAXHCBPNKL-CYBMUJFWSA-N 2 1 331.287 3.275 20 0 EGADMP C[C@](O)(C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccco1 ZINC000877072802 1299144117 /nfs/dbraw/zinc/14/41/17/1299144117.db2.gz VXOAMKRRZPDLNT-LMNJBCLMSA-N 2 1 340.467 3.445 20 0 EGADMP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccco1 ZINC000877072802 1299144119 /nfs/dbraw/zinc/14/41/19/1299144119.db2.gz VXOAMKRRZPDLNT-LMNJBCLMSA-N 2 1 340.467 3.445 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877444162 1299303252 /nfs/dbraw/zinc/30/32/52/1299303252.db2.gz JUEFWFDWSQETMT-WMZOPIPTSA-N 2 1 346.519 3.153 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC[C@H]21 ZINC000877743623 1299520800 /nfs/dbraw/zinc/52/08/00/1299520800.db2.gz LMLOZMQZFRPYPS-GOEBONIOSA-N 2 1 328.378 3.154 20 0 EGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC[C@H]21 ZINC000877743623 1299520811 /nfs/dbraw/zinc/52/08/11/1299520811.db2.gz LMLOZMQZFRPYPS-GOEBONIOSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3)CC[C@H]21 ZINC000877743623 1299520817 /nfs/dbraw/zinc/52/08/17/1299520817.db2.gz LMLOZMQZFRPYPS-GOEBONIOSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)CC[C@H]21 ZINC000877743623 1299520823 /nfs/dbraw/zinc/52/08/23/1299520823.db2.gz LMLOZMQZFRPYPS-GOEBONIOSA-N 2 1 328.378 3.154 20 0 EGADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000756096586 1300438144 /nfs/dbraw/zinc/43/81/44/1300438144.db2.gz AXVRSWQIZCUJBS-HOTGVXAUSA-N 2 1 346.475 3.145 20 0 EGADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000756096586 1300438151 /nfs/dbraw/zinc/43/81/51/1300438151.db2.gz AXVRSWQIZCUJBS-HOTGVXAUSA-N 2 1 346.475 3.145 20 0 EGADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000756098757 1300438539 /nfs/dbraw/zinc/43/85/39/1300438539.db2.gz ZPWQERRUISTXAQ-OAHLLOKOSA-N 2 1 346.475 3.003 20 0 EGADMP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(Br)c1 ZINC000879662740 1300660138 /nfs/dbraw/zinc/66/01/38/1300660138.db2.gz JZINJSIGXQIWGO-JKSUJKDBSA-N 2 1 341.293 3.211 20 0 EGADMP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(Br)c1 ZINC000879662740 1300660144 /nfs/dbraw/zinc/66/01/44/1300660144.db2.gz JZINJSIGXQIWGO-JKSUJKDBSA-N 2 1 341.293 3.211 20 0 EGADMP C[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000880003141 1300840024 /nfs/dbraw/zinc/84/00/24/1300840024.db2.gz ADIJYRAXRBXJAO-KRWDZBQOSA-N 2 1 342.405 3.293 20 0 EGADMP C[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000880003141 1300840034 /nfs/dbraw/zinc/84/00/34/1300840034.db2.gz ADIJYRAXRBXJAO-KRWDZBQOSA-N 2 1 342.405 3.293 20 0 EGADMP CC(C)c1ccc(C[C@@H]2CC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000763961455 1301990340 /nfs/dbraw/zinc/99/03/40/1301990340.db2.gz FRGDLGIZSMSCKZ-FPOVZHCZSA-N 2 1 330.516 3.131 20 0 EGADMP CN(C)c1ccc(N2CCC([NH2+]CC3([NH+](C)C)CCCC3)CC2)cc1 ZINC000764653621 1302109596 /nfs/dbraw/zinc/10/95/96/1302109596.db2.gz INIUCEXGYPCUSS-UHFFFAOYSA-N 2 1 344.547 3.185 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)[C@@H](C)C1 ZINC000765750645 1302318045 /nfs/dbraw/zinc/31/80/45/1302318045.db2.gz CEVBREXAPUWFHJ-DOTOQJQBSA-N 2 1 339.524 3.096 20 0 EGADMP Cc1nc2c(s1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC000765974372 1302361474 /nfs/dbraw/zinc/36/14/74/1302361474.db2.gz GPCNDYJESCLKLS-DOTOQJQBSA-N 2 1 335.517 3.062 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](Cn2ccc(-c3nccs3)n2)CC1 ZINC000766090440 1302386454 /nfs/dbraw/zinc/38/64/54/1302386454.db2.gz DLBPHPNFSCQOPK-UHFFFAOYSA-N 2 1 333.505 3.016 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cn2ccc(-c3nccs3)n2)CC1 ZINC000766090440 1302386465 /nfs/dbraw/zinc/38/64/65/1302386465.db2.gz DLBPHPNFSCQOPK-UHFFFAOYSA-N 2 1 333.505 3.016 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC2(COC2)CC1 ZINC000883378191 1302421342 /nfs/dbraw/zinc/42/13/42/1302421342.db2.gz BTANLSQFSBTXQI-YLJYHZDGSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC2(COC2)CC1 ZINC000883378191 1302421346 /nfs/dbraw/zinc/42/13/46/1302421346.db2.gz BTANLSQFSBTXQI-YLJYHZDGSA-N 2 1 328.500 3.446 20 0 EGADMP c1cc(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000883462612 1302454151 /nfs/dbraw/zinc/45/41/51/1302454151.db2.gz VNQZAGLCKLGISP-IBGZPJMESA-N 2 1 328.500 3.361 20 0 EGADMP CC(C)[C@@H](CC[N@@H+](C)CC[C@H]1CCC[NH+]1C)NC(=O)OC(C)(C)C ZINC000767413289 1302666273 /nfs/dbraw/zinc/66/62/73/1302666273.db2.gz ASIFTDUIYQPGNR-IAGOWNOFSA-N 2 1 341.540 3.342 20 0 EGADMP CC(C)[C@@H](CC[NH+](C)CC[C@H]1CCC[N@@H+]1C)NC(=O)OC(C)(C)C ZINC000767413289 1302666285 /nfs/dbraw/zinc/66/62/85/1302666285.db2.gz ASIFTDUIYQPGNR-IAGOWNOFSA-N 2 1 341.540 3.342 20 0 EGADMP CC(C)[C@@H](CC[NH+](C)CC[C@H]1CCC[N@H+]1C)NC(=O)OC(C)(C)C ZINC000767413289 1302666296 /nfs/dbraw/zinc/66/62/96/1302666296.db2.gz ASIFTDUIYQPGNR-IAGOWNOFSA-N 2 1 341.540 3.342 20 0 EGADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000767925882 1302787171 /nfs/dbraw/zinc/78/71/71/1302787171.db2.gz GJWFLZZOSDWBNZ-RTWAWAEBSA-N 2 1 339.483 3.092 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000769688278 1303158872 /nfs/dbraw/zinc/15/88/72/1303158872.db2.gz OXHDEMKRVUUUMU-CABCVRRESA-N 2 1 327.513 3.142 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000769688278 1303158877 /nfs/dbraw/zinc/15/88/77/1303158877.db2.gz OXHDEMKRVUUUMU-CABCVRRESA-N 2 1 327.513 3.142 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000886060126 1303341318 /nfs/dbraw/zinc/34/13/18/1303341318.db2.gz VBFWNNSMNMYVTI-KOXUSJRISA-N 2 1 340.442 3.195 20 0 EGADMP COC(=O)c1ccc([C@H](C)[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)o1 ZINC000886668021 1303547395 /nfs/dbraw/zinc/54/73/95/1303547395.db2.gz MDKCQNWBXKUOHD-ZDUSSCGKSA-N 2 1 331.416 3.347 20 0 EGADMP COC(=O)c1oc([C@@H](C)[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1C ZINC000887132326 1303686571 /nfs/dbraw/zinc/68/65/71/1303686571.db2.gz CUELCHJQMANGHV-LSDHHAIUSA-N 2 1 343.427 3.041 20 0 EGADMP COC(=O)c1oc([C@@H](C)[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1C ZINC000887132326 1303686579 /nfs/dbraw/zinc/68/65/79/1303686579.db2.gz CUELCHJQMANGHV-LSDHHAIUSA-N 2 1 343.427 3.041 20 0 EGADMP c1ccc2c(c1)NCCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000774189502 1303784926 /nfs/dbraw/zinc/78/49/26/1303784926.db2.gz YFOKMTDZGGCOER-YLJYHZDGSA-N 2 1 329.488 3.166 20 0 EGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)C1CCCCC1 ZINC000775381192 1303951081 /nfs/dbraw/zinc/95/10/81/1303951081.db2.gz ZXIOCFZUWXWFMD-NCOADZHNSA-N 2 1 328.591 3.466 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000775414991 1303960658 /nfs/dbraw/zinc/96/06/58/1303960658.db2.gz POCNMCVMJZHYLF-NCOADZHNSA-N 2 1 328.591 3.324 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000888571979 1304198933 /nfs/dbraw/zinc/19/89/33/1304198933.db2.gz FGDCNFUGCHIVIK-UHFFFAOYSA-N 2 1 338.455 3.386 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccc(Cl)cc1 ZINC000889821561 1304597511 /nfs/dbraw/zinc/59/75/11/1304597511.db2.gz UESSKDKUZTYJRU-GOSISDBHSA-N 2 1 349.906 3.076 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccco1 ZINC000781421363 1304825571 /nfs/dbraw/zinc/82/55/71/1304825571.db2.gz QDDWNPNKHYJOCT-IYWMVGAKSA-N 2 1 340.467 3.203 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000782185499 1304927389 /nfs/dbraw/zinc/92/73/89/1304927389.db2.gz XRTUKEFUOLTOEX-WIYYLYMNSA-N 2 1 329.532 3.313 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000782185499 1304927396 /nfs/dbraw/zinc/92/73/96/1304927396.db2.gz XRTUKEFUOLTOEX-WIYYLYMNSA-N 3 1 329.532 3.313 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000782185499 1304927402 /nfs/dbraw/zinc/92/74/02/1304927402.db2.gz XRTUKEFUOLTOEX-WIYYLYMNSA-N 3 1 329.532 3.313 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)CC2CC[NH+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000782185499 1304927408 /nfs/dbraw/zinc/92/74/08/1304927408.db2.gz XRTUKEFUOLTOEX-WIYYLYMNSA-N 3 1 329.532 3.313 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000782185499 1304927414 /nfs/dbraw/zinc/92/74/14/1304927414.db2.gz XRTUKEFUOLTOEX-WIYYLYMNSA-N 3 1 329.532 3.313 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)CC1 ZINC000891930457 1305212153 /nfs/dbraw/zinc/21/21/53/1305212153.db2.gz WQIONKHRLMUZNF-KRWDZBQOSA-N 2 1 340.414 3.003 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC000784374558 1305237250 /nfs/dbraw/zinc/23/72/50/1305237250.db2.gz NLFHZTIZNNQKNB-HXUWFJFHSA-N 2 1 326.488 3.491 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC000784374558 1305237256 /nfs/dbraw/zinc/23/72/56/1305237256.db2.gz NLFHZTIZNNQKNB-HXUWFJFHSA-N 2 1 326.488 3.491 20 0 EGADMP CCn1cc(C[N@@H+](CC)CC2CCN(c3ccccn3)CC2)c(C)n1 ZINC000892095183 1305248418 /nfs/dbraw/zinc/24/84/18/1305248418.db2.gz MCIAIPFAQLETBP-UHFFFAOYSA-N 2 1 341.503 3.345 20 0 EGADMP C[C@H]1C[C@@H](CC[NH2+]CC2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000893226995 1305771322 /nfs/dbraw/zinc/77/13/22/1305771322.db2.gz VOMRONUMFCCSSW-GHTZIAJQSA-N 3 1 329.532 3.219 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000787992580 1305841252 /nfs/dbraw/zinc/84/12/52/1305841252.db2.gz HJKBSDKUQQCOMF-QGZVFWFLSA-N 2 1 339.524 3.098 20 0 EGADMP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000788816568 1306022583 /nfs/dbraw/zinc/02/25/83/1306022583.db2.gz SYRZDKZSSTZKMT-UZLBHIALSA-N 2 1 325.456 3.350 20 0 EGADMP Cc1ncoc1CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000894093865 1306213461 /nfs/dbraw/zinc/21/34/61/1306213461.db2.gz IYWVHQQORMYHES-MOPGFXCFSA-N 2 1 325.456 3.470 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000894253645 1306304085 /nfs/dbraw/zinc/30/40/85/1306304085.db2.gz FWYGXBVWMMCLKU-OAHLLOKOSA-N 2 1 343.471 3.084 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000894253645 1306304094 /nfs/dbraw/zinc/30/40/94/1306304094.db2.gz FWYGXBVWMMCLKU-OAHLLOKOSA-N 2 1 343.471 3.084 20 0 EGADMP CC(C)(C)[C@@H]1CCC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790364158 1306308132 /nfs/dbraw/zinc/30/81/32/1306308132.db2.gz FAZCNVVRULTQOV-OXQOHEQNSA-N 2 1 349.519 3.009 20 0 EGADMP CCn1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(-c2ccccc2)n1 ZINC000894564831 1308955806 /nfs/dbraw/zinc/95/58/06/1308955806.db2.gz AMHHBTUKNVMGIQ-IBGZPJMESA-N 2 1 326.488 3.486 20 0 EGADMP CCn1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(-c2ccccc2)n1 ZINC000894564831 1308955813 /nfs/dbraw/zinc/95/58/13/1308955813.db2.gz AMHHBTUKNVMGIQ-IBGZPJMESA-N 2 1 326.488 3.486 20 0 EGADMP Cc1ncoc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000894848661 1309098312 /nfs/dbraw/zinc/09/83/12/1309098312.db2.gz ABRJZPUMRDFTMM-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1)CC1CC1 ZINC000792267752 1309152933 /nfs/dbraw/zinc/15/29/33/1309152933.db2.gz JEFDOTISMDDKPA-IBGZPJMESA-N 2 1 348.531 3.306 20 0 EGADMP CCc1onc(C)c1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000895693515 1309469074 /nfs/dbraw/zinc/46/90/74/1309469074.db2.gz FLWOQHQUWUSSCW-YJBOKZPZSA-N 2 1 327.472 3.403 20 0 EGADMP CCc1onc(C)c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000895693515 1309469078 /nfs/dbraw/zinc/46/90/78/1309469078.db2.gz FLWOQHQUWUSSCW-YJBOKZPZSA-N 2 1 327.472 3.403 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000796523219 1310019037 /nfs/dbraw/zinc/01/90/37/1310019037.db2.gz XAWNOZPICLGGCL-KRWDZBQOSA-N 2 1 339.524 3.098 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000796523219 1310019049 /nfs/dbraw/zinc/01/90/49/1310019049.db2.gz XAWNOZPICLGGCL-KRWDZBQOSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(Br)cn3)C2)CC1 ZINC000798957061 1310463006 /nfs/dbraw/zinc/46/30/06/1310463006.db2.gz KPSCLFUWVRLZFA-UHFFFAOYSA-N 2 1 338.293 3.152 20 0 EGADMP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(Br)cn3)C2)CC1 ZINC000798957061 1310463002 /nfs/dbraw/zinc/46/30/02/1310463002.db2.gz KPSCLFUWVRLZFA-UHFFFAOYSA-N 2 1 338.293 3.152 20 0 EGADMP COc1ccc(OCCC[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000799177573 1310499726 /nfs/dbraw/zinc/49/97/26/1310499726.db2.gz VKYXTPPFPQUAEP-UHFFFAOYSA-N 2 1 332.488 3.272 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824416767 1320256194 /nfs/dbraw/zinc/25/61/94/1320256194.db2.gz NQMKPTPRBSFGEE-GVDBMIGSSA-N 2 1 341.540 3.340 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824416767 1320256199 /nfs/dbraw/zinc/25/61/99/1320256199.db2.gz NQMKPTPRBSFGEE-GVDBMIGSSA-N 2 1 341.540 3.340 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001018938707 1316981022 /nfs/dbraw/zinc/98/10/22/1316981022.db2.gz ZCRBVMGDEVHRTG-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001018967627 1316987814 /nfs/dbraw/zinc/98/78/14/1316987814.db2.gz HEPGKDPACFIXQD-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001018990354 1316996251 /nfs/dbraw/zinc/99/62/51/1316996251.db2.gz HVYGEQQDBUSBFD-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001019068613 1317032287 /nfs/dbraw/zinc/03/22/87/1317032287.db2.gz BREGQFOODSUTOI-SFHVURJKSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(CC)C1C[NH+](CC2CC(C)C2)C1 ZINC000957117914 1317198575 /nfs/dbraw/zinc/19/85/75/1317198575.db2.gz MDHPYPZADBDHHU-QLOJAFMTSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CC2=CCCCC2)C1 ZINC000957132008 1317203715 /nfs/dbraw/zinc/20/37/15/1317203715.db2.gz HCAPCOHGKINSFM-RBUKOAKNSA-N 2 1 347.547 3.140 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000900228781 1317255882 /nfs/dbraw/zinc/25/58/82/1317255882.db2.gz RBJDGWKUKJTUTG-QGZVFWFLSA-N 2 1 347.503 3.219 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000900228781 1317255889 /nfs/dbraw/zinc/25/58/89/1317255889.db2.gz RBJDGWKUKJTUTG-QGZVFWFLSA-N 2 1 347.503 3.219 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001019468017 1317263092 /nfs/dbraw/zinc/26/30/92/1317263092.db2.gz CEQKMTBNKQYJFC-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)c1ncccn1 ZINC000929754181 1328687935 /nfs/dbraw/zinc/68/79/35/1328687935.db2.gz CUFYSVDOADNSQV-INIZCTEOSA-N 2 1 325.460 3.171 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000929771180 1328695059 /nfs/dbraw/zinc/69/50/59/1328695059.db2.gz LRGRCAVXCUJGID-KBWCOIMZSA-N 2 1 346.515 3.167 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000957568562 1317466537 /nfs/dbraw/zinc/46/65/37/1317466537.db2.gz LANGSLWCSZOUFA-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)CC1 ZINC000957568899 1317467782 /nfs/dbraw/zinc/46/77/82/1317467782.db2.gz SDSXUFSNBCLANB-RTBURBONSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020143777 1317559629 /nfs/dbraw/zinc/55/96/29/1317559629.db2.gz DXEJZOFXVPRVCL-GUDVDZBRSA-N 2 1 335.536 3.066 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001020213919 1317596331 /nfs/dbraw/zinc/59/63/31/1317596331.db2.gz AQYPZTCXNVGLOD-GUDVDZBRSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1cn(C)nn1 ZINC000902740311 1317611142 /nfs/dbraw/zinc/61/11/42/1317611142.db2.gz RLRORFCYAGQMNJ-MRXNPFEDSA-N 2 1 349.482 3.395 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@](C)(CC)CC1=O ZINC000808154416 1317632748 /nfs/dbraw/zinc/63/27/48/1317632748.db2.gz ROHBFNPVGOHNHF-FQEVSTJZSA-N 2 1 331.504 3.176 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@](C)(CC)CC1=O ZINC000808154416 1317632754 /nfs/dbraw/zinc/63/27/54/1317632754.db2.gz ROHBFNPVGOHNHF-FQEVSTJZSA-N 2 1 331.504 3.176 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)C2 ZINC000903116060 1317655942 /nfs/dbraw/zinc/65/59/42/1317655942.db2.gz FKDRNVYJLYGZLY-RNEPCJONSA-N 2 1 338.442 3.095 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]1O)CCC2 ZINC000903115742 1317656097 /nfs/dbraw/zinc/65/60/97/1317656097.db2.gz OMEYMYJIIACEQL-YXIAPDDASA-N 2 1 342.527 3.442 20 0 EGADMP Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(C)s1 ZINC000903119570 1317656789 /nfs/dbraw/zinc/65/67/89/1317656789.db2.gz TWPVPYQIKJYRTR-LDFOPSEGSA-N 2 1 336.545 3.495 20 0 EGADMP FC(F)c1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000903507221 1317706492 /nfs/dbraw/zinc/70/64/92/1317706492.db2.gz RVJLNLZAGGDCOD-HDICACEKSA-N 2 1 335.442 3.025 20 0 EGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000808696885 1317717080 /nfs/dbraw/zinc/71/70/80/1317717080.db2.gz YBFDHRTYKGTBGA-CRAIPNDOSA-N 2 1 348.462 3.055 20 0 EGADMP C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717863 1317724271 /nfs/dbraw/zinc/72/42/71/1317724271.db2.gz FDLWENZKMUFDEY-MRXNPFEDSA-N 2 1 342.405 3.296 20 0 EGADMP C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903786203 1317734083 /nfs/dbraw/zinc/73/40/83/1317734083.db2.gz GFSMSRLTOXWFEB-HOJAQTOUSA-N 2 1 328.500 3.413 20 0 EGADMP FC(F)(F)CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903789208 1317734277 /nfs/dbraw/zinc/73/42/77/1317734277.db2.gz UUTAKZKBQFYFHF-WTXIUTQJSA-N 2 1 346.437 3.341 20 0 EGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903899094 1317745279 /nfs/dbraw/zinc/74/52/79/1317745279.db2.gz RKWHVORILIZNBZ-CTNGQTDRSA-N 2 1 342.531 3.107 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])CC(F)F)cc1Br ZINC000903919532 1317749352 /nfs/dbraw/zinc/74/93/52/1317749352.db2.gz DLHLIIOOOLKMOV-SCZZXKLOSA-N 2 1 337.208 3.091 20 0 EGADMP Fc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903972969 1317760008 /nfs/dbraw/zinc/76/00/08/1317760008.db2.gz MRYOYKLACYWBCT-GBESFXJTSA-N 2 1 332.463 3.210 20 0 EGADMP CC(C)c1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)cc1 ZINC001020585999 1317790764 /nfs/dbraw/zinc/79/07/64/1317790764.db2.gz BTTJULUDPOIUDZ-VDGAXYAQSA-N 2 1 343.515 3.031 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)c1 ZINC001020591553 1317792559 /nfs/dbraw/zinc/79/25/59/1317792559.db2.gz QVUVDMUJYCVFGF-WDSOQIARSA-N 2 1 343.515 3.025 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904405499 1317843065 /nfs/dbraw/zinc/84/30/65/1317843065.db2.gz MCRLQOJNQOCZEM-OAHLLOKOSA-N 2 1 332.879 3.313 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001020675797 1317852536 /nfs/dbraw/zinc/85/25/36/1317852536.db2.gz GGTMVVKUVBHWHB-FHWLQOOXSA-N 2 1 347.547 3.066 20 0 EGADMP CC(C)([NH3+])c1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000904604323 1317868835 /nfs/dbraw/zinc/86/88/35/1317868835.db2.gz PRYFUYGSKUYLPN-INIZCTEOSA-N 2 1 344.503 3.124 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1C[NH3+])c1ccccc1Cl ZINC000904663895 1317878285 /nfs/dbraw/zinc/87/82/85/1317878285.db2.gz ALVKLCOYUCLZFU-KRWDZBQOSA-N 2 1 346.862 3.223 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2ccccc2C[NH3+])C1 ZINC000904667295 1317879643 /nfs/dbraw/zinc/87/96/43/1317879643.db2.gz VVGPNFXJWUKQRZ-GASCZTMLSA-N 2 1 332.492 3.023 20 0 EGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000810180388 1317970767 /nfs/dbraw/zinc/97/07/67/1317970767.db2.gz WOWZCDCEOKSUCU-MRXNPFEDSA-N 2 1 341.540 3.344 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000810180388 1317970773 /nfs/dbraw/zinc/97/07/73/1317970773.db2.gz WOWZCDCEOKSUCU-MRXNPFEDSA-N 2 1 341.540 3.344 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(N2CCCCC2=O)cc1 ZINC000810262814 1317989458 /nfs/dbraw/zinc/98/94/58/1317989458.db2.gz XWKQWKHTNDGINT-XKGZKEIXSA-N 2 1 341.499 3.481 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001020907144 1317992429 /nfs/dbraw/zinc/99/24/29/1317992429.db2.gz TZDODFIZAFAIQW-VAMGGRTRSA-N 2 1 347.547 3.378 20 0 EGADMP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000907283764 1318207350 /nfs/dbraw/zinc/20/73/50/1318207350.db2.gz HVFWTLQITLEEKJ-SJORKVTESA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC ZINC001021434993 1318248249 /nfs/dbraw/zinc/24/82/49/1318248249.db2.gz QTVGRGNURUWLGU-XVLXNVKGSA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC ZINC001021434993 1318248257 /nfs/dbraw/zinc/24/82/57/1318248257.db2.gz QTVGRGNURUWLGU-XVLXNVKGSA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC ZINC001021434993 1318248264 /nfs/dbraw/zinc/24/82/64/1318248264.db2.gz QTVGRGNURUWLGU-XVLXNVKGSA-N 2 1 335.536 3.163 20 0 EGADMP CN(C)Cc1ccc(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)cc1Cl ZINC000907907338 1318278625 /nfs/dbraw/zinc/27/86/25/1318278625.db2.gz BKNHWWNFHZCCAD-DOTOQJQBSA-N 2 1 335.879 3.357 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cc1Cl ZINC000907907338 1318278632 /nfs/dbraw/zinc/27/86/32/1318278632.db2.gz BKNHWWNFHZCCAD-DOTOQJQBSA-N 2 1 335.879 3.357 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)cc1Cl ZINC000907907338 1318278638 /nfs/dbraw/zinc/27/86/38/1318278638.db2.gz BKNHWWNFHZCCAD-DOTOQJQBSA-N 2 1 335.879 3.357 20 0 EGADMP C[C@@H]1C[C@H](CCNc2cc[nH+]c(CO)c2)C[N@H+]1Cc1ccccc1 ZINC000858457916 1328767549 /nfs/dbraw/zinc/76/75/49/1328767549.db2.gz VZLAZWODUATTOB-AEFFLSMTSA-N 2 1 325.456 3.287 20 0 EGADMP CC[N@H+]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000910270448 1318592134 /nfs/dbraw/zinc/59/21/34/1318592134.db2.gz MUBYBERSXPZZSB-GOSISDBHSA-N 2 1 343.515 3.229 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022165869 1318825961 /nfs/dbraw/zinc/82/59/61/1318825961.db2.gz FTMNFUIMUMXHLJ-CEXWTWQISA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022349464 1318902225 /nfs/dbraw/zinc/90/22/25/1318902225.db2.gz AILJBNSEFZGUSD-HSALFYBXSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000960835650 1318966301 /nfs/dbraw/zinc/96/63/01/1318966301.db2.gz RHCAQXNTEPEIHN-MOPGFXCFSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000960835650 1318966308 /nfs/dbraw/zinc/96/63/08/1318966308.db2.gz RHCAQXNTEPEIHN-MOPGFXCFSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000960835650 1318966315 /nfs/dbraw/zinc/96/63/15/1318966315.db2.gz RHCAQXNTEPEIHN-MOPGFXCFSA-N 2 1 335.536 3.115 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C)cc1C)[NH+](C)C ZINC000960864167 1319007615 /nfs/dbraw/zinc/00/76/15/1319007615.db2.gz FTXSNRWUJFDQSH-UXHICEINSA-N 2 1 345.531 3.066 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815584176 1319020834 /nfs/dbraw/zinc/02/08/34/1319020834.db2.gz XMYZEDVYBJJLDM-ZOBUZTSGSA-N 2 1 331.460 3.167 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815584176 1319020840 /nfs/dbraw/zinc/02/08/40/1319020840.db2.gz XMYZEDVYBJJLDM-ZOBUZTSGSA-N 2 1 331.460 3.167 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1)[NH+]1CCCCC1 ZINC000961029982 1319154110 /nfs/dbraw/zinc/15/41/10/1319154110.db2.gz ANNAWPDKJUDLLD-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961030325 1319154349 /nfs/dbraw/zinc/15/43/49/1319154349.db2.gz UPGHDDMUCXPVMZ-RTBURBONSA-N 2 1 343.515 3.075 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1)[NH+]1CCCC1 ZINC000961031723 1319156315 /nfs/dbraw/zinc/15/63/15/1319156315.db2.gz NRYDRTKOYCFCFE-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)C[C@@H]2CCCN2C(=O)C[NH+]2CCCC2)c1 ZINC000961034585 1319159146 /nfs/dbraw/zinc/15/91/46/1319159146.db2.gz NWXLCIRQWAEDKJ-ICSRJNTNSA-N 2 1 343.515 3.075 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001023130876 1319276366 /nfs/dbraw/zinc/27/63/66/1319276366.db2.gz KAROTXGKBAEPTM-XSYGEPLQSA-N 2 1 343.515 3.167 20 0 EGADMP CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961290970 1319449890 /nfs/dbraw/zinc/44/98/90/1319449890.db2.gz FJNKHDAMSZDJEE-PMACEKPBSA-N 2 1 349.563 3.223 20 0 EGADMP C[C@H]([NH2+]CCCCC(=O)OCc1ccccc1)c1c[nH+]ccc1N ZINC000817922017 1319461200 /nfs/dbraw/zinc/46/12/00/1319461200.db2.gz NNQQMBIZCILYPV-HNNXBMFYSA-N 2 1 327.428 3.058 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)c2ccccc21 ZINC000817928908 1319463523 /nfs/dbraw/zinc/46/35/23/1319463523.db2.gz HUYJYTZVEFBGCK-IXDOHACOSA-N 2 1 347.256 3.217 20 0 EGADMP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)c2ccccc21 ZINC000817928907 1319463690 /nfs/dbraw/zinc/46/36/90/1319463690.db2.gz HUYJYTZVEFBGCK-GVDBMIGSSA-N 2 1 347.256 3.217 20 0 EGADMP CC[NH2+]CCCN[C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000817943924 1319472100 /nfs/dbraw/zinc/47/21/00/1319472100.db2.gz SNZIAADRZWJVKU-QGZVFWFLSA-N 2 1 333.520 3.331 20 0 EGADMP CC[NH+](CC)Cc1cc([C@H](C)N[C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000817968000 1319480789 /nfs/dbraw/zinc/48/07/89/1319480789.db2.gz FQBASALRHBFNAL-QFBILLFUSA-N 2 1 333.520 3.330 20 0 EGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817982514 1319485386 /nfs/dbraw/zinc/48/53/86/1319485386.db2.gz UGEQWZUJTYLOFG-IXDOHACOSA-N 2 1 339.524 3.272 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023402921 1319510891 /nfs/dbraw/zinc/51/08/91/1319510891.db2.gz WPVPUZKZQQPBPJ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001023402921 1319510901 /nfs/dbraw/zinc/51/09/01/1319510901.db2.gz WPVPUZKZQQPBPJ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001023402921 1319510908 /nfs/dbraw/zinc/51/09/08/1319510908.db2.gz WPVPUZKZQQPBPJ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(NC[C@H]1CCC[N@@H+](CCC2CC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001023414502 1319518219 /nfs/dbraw/zinc/51/82/19/1319518219.db2.gz UWPSSTVQBTXULO-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[NH+](CCC2CC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001023414502 1319518228 /nfs/dbraw/zinc/51/82/28/1319518228.db2.gz UWPSSTVQBTXULO-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[NH+](CCC2CC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001023414502 1319518240 /nfs/dbraw/zinc/51/82/40/1319518240.db2.gz UWPSSTVQBTXULO-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC000961381971 1319538310 /nfs/dbraw/zinc/53/83/10/1319538310.db2.gz DSRYDQIEPQLEHY-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC000961381971 1319538316 /nfs/dbraw/zinc/53/83/16/1319538316.db2.gz DSRYDQIEPQLEHY-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC000961381971 1319538317 /nfs/dbraw/zinc/53/83/17/1319538317.db2.gz DSRYDQIEPQLEHY-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000818959423 1319590844 /nfs/dbraw/zinc/59/08/44/1319590844.db2.gz JRUIRYGEZYBYLY-KSSFIOAISA-N 2 1 326.431 3.100 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000818959307 1319591048 /nfs/dbraw/zinc/59/10/48/1319591048.db2.gz HWRLTKRJQDCZEW-KSSFIOAISA-N 2 1 326.431 3.242 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000818979892 1319602444 /nfs/dbraw/zinc/60/24/44/1319602444.db2.gz CWKFNAWCDKELBB-CJNGLKHVSA-N 2 1 330.394 3.060 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000819152101 1319648984 /nfs/dbraw/zinc/64/89/84/1319648984.db2.gz LLKJOXLGBJWKHK-RHSMWYFYSA-N 2 1 344.421 3.306 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000819151669 1319649892 /nfs/dbraw/zinc/64/98/92/1319649892.db2.gz DKHOMGKRCVUVOD-CXAGYDPISA-N 2 1 328.859 3.080 20 0 EGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000917009764 1319736920 /nfs/dbraw/zinc/73/69/20/1319736920.db2.gz KHRHIEUSAULNNK-OAQYLSRUSA-N 2 1 342.458 3.422 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632255 1319753224 /nfs/dbraw/zinc/75/32/24/1319753224.db2.gz IDTKPZURVXEGAS-OALUTQOASA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632255 1319753235 /nfs/dbraw/zinc/75/32/35/1319753235.db2.gz IDTKPZURVXEGAS-OALUTQOASA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632255 1319753240 /nfs/dbraw/zinc/75/32/40/1319753240.db2.gz IDTKPZURVXEGAS-OALUTQOASA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761518 1319908508 /nfs/dbraw/zinc/90/85/08/1319908508.db2.gz BPPXTUGPTDCRHC-PKOBYXMFSA-N 2 1 345.531 3.236 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763213 1319910799 /nfs/dbraw/zinc/91/07/99/1319910799.db2.gz FENYTWNDQPKLPN-ROUUACIJSA-N 2 1 345.531 3.236 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC000962385573 1319945589 /nfs/dbraw/zinc/94/55/89/1319945589.db2.gz QXOMMJLONKENMU-MHJFOBGBSA-N 2 1 349.563 3.314 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](CC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000823247510 1320165118 /nfs/dbraw/zinc/16/51/18/1320165118.db2.gz GOWYSACYEQOKFM-OAHLLOKOSA-N 2 1 348.362 3.062 20 0 EGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(F)cc(F)c1 ZINC000823850393 1320211318 /nfs/dbraw/zinc/21/13/18/1320211318.db2.gz BGKYYLACUMMPHP-LIRRHRJNSA-N 2 1 338.442 3.301 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(C2CC2)nn1C ZINC000823961119 1320218869 /nfs/dbraw/zinc/21/88/69/1320218869.db2.gz LVLNIALXWHOWLL-OXQOHEQNSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(C2CC2)nn1C ZINC000823961119 1320218876 /nfs/dbraw/zinc/21/88/76/1320218876.db2.gz LVLNIALXWHOWLL-OXQOHEQNSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(C2CC2)nn1C ZINC000823961119 1320218879 /nfs/dbraw/zinc/21/88/79/1320218879.db2.gz LVLNIALXWHOWLL-OXQOHEQNSA-N 2 1 338.499 3.298 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000839073695 1320862550 /nfs/dbraw/zinc/86/25/50/1320862550.db2.gz PIVUNIUYNKWHET-ZGXWSNOMSA-N 2 1 348.556 3.397 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC000840939411 1321181708 /nfs/dbraw/zinc/18/17/08/1321181708.db2.gz MKOVKVVFQBFOMP-HLAWJBBLSA-N 2 1 336.483 3.175 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC000840939411 1321181712 /nfs/dbraw/zinc/18/17/12/1321181712.db2.gz MKOVKVVFQBFOMP-HLAWJBBLSA-N 2 1 336.483 3.175 20 0 EGADMP C[NH2+]C[C@H](C)c1noc([C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000842581279 1321403867 /nfs/dbraw/zinc/40/38/67/1321403867.db2.gz CJZQHKQVQSZVRL-HOTGVXAUSA-N 2 1 342.487 3.408 20 0 EGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000843058594 1321463854 /nfs/dbraw/zinc/46/38/54/1321463854.db2.gz WFEXOYGBYRUIGE-WBAXXEDZSA-N 2 1 344.890 3.393 20 0 EGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000843058594 1321463860 /nfs/dbraw/zinc/46/38/60/1321463860.db2.gz WFEXOYGBYRUIGE-WBAXXEDZSA-N 2 1 344.890 3.393 20 0 EGADMP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000843353787 1321504917 /nfs/dbraw/zinc/50/49/17/1321504917.db2.gz JLQBZYZOOAOODG-DZIBYMRMSA-N 2 1 345.531 3.264 20 0 EGADMP CCc1cc2oc(=O)cc(C[N@H+](C)CC(C)(C)C[NH3+])c2cc1Cl ZINC000843355570 1321505700 /nfs/dbraw/zinc/50/57/00/1321505700.db2.gz WCHVKJRFTRFKMN-UHFFFAOYSA-N 2 1 336.863 3.426 20 0 EGADMP CCc1cc2oc(=O)cc(C[N@@H+](C)CC(C)(C)C[NH3+])c2cc1Cl ZINC000843355570 1321505702 /nfs/dbraw/zinc/50/57/02/1321505702.db2.gz WCHVKJRFTRFKMN-UHFFFAOYSA-N 2 1 336.863 3.426 20 0 EGADMP O=C1CC2(CCCC2)N1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000844685156 1321635979 /nfs/dbraw/zinc/63/59/79/1321635979.db2.gz QHZDSMPXDKTMRN-UHFFFAOYSA-N 2 1 333.520 3.077 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CN2C(=O)CC23CCCC3)CC1)CC1CC1 ZINC000844696554 1321637924 /nfs/dbraw/zinc/63/79/24/1321637924.db2.gz BLWPQVJNCJBKFL-UHFFFAOYSA-N 2 1 347.547 3.323 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cncc3ccccc32)C1 ZINC000844910815 1321657113 /nfs/dbraw/zinc/65/71/13/1321657113.db2.gz JTGINSDLDABVRF-HOJAQTOUSA-N 2 1 325.456 3.096 20 0 EGADMP CC(C)C[N@H+](CCCc1c[nH+]cn1C)C[C@H](O)c1ccc(F)cc1 ZINC000846807988 1321810948 /nfs/dbraw/zinc/81/09/48/1321810948.db2.gz YAHGDSIMCLFAHT-IBGZPJMESA-N 2 1 333.451 3.183 20 0 EGADMP CC(C)C[N@@H+](CCCc1c[nH+]cn1C)C[C@H](O)c1ccc(F)cc1 ZINC000846807988 1321810953 /nfs/dbraw/zinc/81/09/53/1321810953.db2.gz YAHGDSIMCLFAHT-IBGZPJMESA-N 2 1 333.451 3.183 20 0 EGADMP C[C@@]1(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1(Cl)Cl ZINC000848553637 1321975462 /nfs/dbraw/zinc/97/54/62/1321975462.db2.gz MFYGTOCSMTVMBM-LSDHHAIUSA-N 2 1 335.319 3.193 20 0 EGADMP Cc1[nH+]ccn1CCCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000848988351 1322056462 /nfs/dbraw/zinc/05/64/62/1322056462.db2.gz BOWMXJAEZIASDJ-UHFFFAOYSA-N 2 1 341.337 3.117 20 0 EGADMP C[C@H]1CCCN(C(=[NH2+])NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000849063919 1322064556 /nfs/dbraw/zinc/06/45/56/1322064556.db2.gz UWPPKJYVPIGURY-PKOBYXMFSA-N 2 1 328.504 3.155 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000849068066 1322065506 /nfs/dbraw/zinc/06/55/06/1322065506.db2.gz REDXKZFRMZYUHL-LBPRGKRZSA-N 2 1 344.381 3.252 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1ccc(Cl)cc1 ZINC000849070697 1322066204 /nfs/dbraw/zinc/06/62/04/1322066204.db2.gz UQFQJKPSIIVRKE-INIZCTEOSA-N 2 1 336.911 3.216 20 0 EGADMP CC1CCN(C(=[NH2+])NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000849075603 1322067630 /nfs/dbraw/zinc/06/76/30/1322067630.db2.gz IJCOOTCSWUMFDU-FQEVSTJZSA-N 2 1 328.504 3.155 20 0 EGADMP [NH2+]=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000849089561 1322074124 /nfs/dbraw/zinc/07/41/24/1322074124.db2.gz HGTWNAXXXFPDEM-LJQANCHMSA-N 2 1 328.504 3.299 20 0 EGADMP CS[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1 ZINC000921817514 1322404286 /nfs/dbraw/zinc/40/42/86/1322404286.db2.gz KFAHOLPBKIRNOZ-IAGOWNOFSA-N 2 1 334.533 3.326 20 0 EGADMP CCCc1cccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000922386606 1322515080 /nfs/dbraw/zinc/51/50/80/1322515080.db2.gz GSDGILFFXQDZPY-CGXNFDGLSA-N 2 1 330.516 3.208 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001023892192 1323008124 /nfs/dbraw/zinc/00/81/24/1323008124.db2.gz XXKXUCLMSGAZQC-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000924667194 1323102876 /nfs/dbraw/zinc/10/28/76/1323102876.db2.gz HYALRNLVXROCSI-FUHIMQAGSA-N 2 1 343.515 3.065 20 0 EGADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000924673834 1323106327 /nfs/dbraw/zinc/10/63/27/1323106327.db2.gz YSSAKSKTSATWIH-UWVAXJGDSA-N 2 1 343.515 3.208 20 0 EGADMP CC1(C)OC[C@H](C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)O1 ZINC000851881545 1323107021 /nfs/dbraw/zinc/10/70/21/1323107021.db2.gz LAFXGGABVFBWDF-IBGZPJMESA-N 2 1 344.499 3.126 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001024232375 1323221354 /nfs/dbraw/zinc/22/13/54/1323221354.db2.gz PYGQNJVVBFUEAQ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001024236250 1323222495 /nfs/dbraw/zinc/22/24/95/1323222495.db2.gz IGRDUXRASHJBFC-PMACEKPBSA-N 2 1 349.563 3.127 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001024236253 1323222562 /nfs/dbraw/zinc/22/25/62/1323222562.db2.gz IGRDUXRASHJBFC-WOJBJXKFSA-N 2 1 349.563 3.127 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001024278524 1323256417 /nfs/dbraw/zinc/25/64/17/1323256417.db2.gz PVIPBHMRSUAQAS-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024278207 1323256966 /nfs/dbraw/zinc/25/69/66/1323256966.db2.gz GWIWPETWSQSSAU-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@H](O)c2ccccn2)C1 ZINC000853098443 1323281038 /nfs/dbraw/zinc/28/10/38/1323281038.db2.gz JNHXSTBLFISXRB-UTKZUKDTSA-N 2 1 339.483 3.137 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCCCC1 ZINC001024365951 1323337907 /nfs/dbraw/zinc/33/79/07/1323337907.db2.gz KXKICFMQUIFEMS-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCCCC1 ZINC001024365951 1323337913 /nfs/dbraw/zinc/33/79/13/1323337913.db2.gz KXKICFMQUIFEMS-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCCCC1 ZINC001024365951 1323337917 /nfs/dbraw/zinc/33/79/17/1323337917.db2.gz KXKICFMQUIFEMS-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCCC1 ZINC001024366613 1323339907 /nfs/dbraw/zinc/33/99/07/1323339907.db2.gz UBVGGHIXANJUFY-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCC1CCCC1 ZINC001024366613 1323339913 /nfs/dbraw/zinc/33/99/13/1323339913.db2.gz UBVGGHIXANJUFY-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCC1CCCC1 ZINC001024366613 1323339922 /nfs/dbraw/zinc/33/99/22/1323339922.db2.gz UBVGGHIXANJUFY-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440286 1323401064 /nfs/dbraw/zinc/40/10/64/1323401064.db2.gz MLKFLZISPQUUNE-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440286 1323401068 /nfs/dbraw/zinc/40/10/68/1323401068.db2.gz MLKFLZISPQUUNE-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440286 1323401071 /nfs/dbraw/zinc/40/10/71/1323401071.db2.gz MLKFLZISPQUUNE-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024469229 1323424718 /nfs/dbraw/zinc/42/47/18/1323424718.db2.gz QHJQIMAVDSJXAT-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC001024469229 1323424724 /nfs/dbraw/zinc/42/47/24/1323424724.db2.gz QHJQIMAVDSJXAT-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccsc1 ZINC001024469229 1323424726 /nfs/dbraw/zinc/42/47/26/1323424726.db2.gz QHJQIMAVDSJXAT-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024649076 1323572987 /nfs/dbraw/zinc/57/29/87/1323572987.db2.gz PCPRLZYSJFLKMG-HXUWFJFHSA-N 2 1 345.531 3.175 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024692586 1323608691 /nfs/dbraw/zinc/60/86/91/1323608691.db2.gz PDIPITZFBGLUAJ-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001024692586 1323608696 /nfs/dbraw/zinc/60/86/96/1323608696.db2.gz PDIPITZFBGLUAJ-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001024692586 1323608700 /nfs/dbraw/zinc/60/87/00/1323608700.db2.gz PDIPITZFBGLUAJ-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024692584 1323610329 /nfs/dbraw/zinc/61/03/29/1323610329.db2.gz PDIPITZFBGLUAJ-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001024692584 1323610335 /nfs/dbraw/zinc/61/03/35/1323610335.db2.gz PDIPITZFBGLUAJ-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001024692584 1323610342 /nfs/dbraw/zinc/61/03/42/1323610342.db2.gz PDIPITZFBGLUAJ-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC2CCC(C)(C)CC2)C1 ZINC001024801241 1323703395 /nfs/dbraw/zinc/70/33/95/1323703395.db2.gz LMMMILBAXPLLAS-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC2CCC(C)(C)CC2)C1 ZINC001024801241 1323703400 /nfs/dbraw/zinc/70/34/00/1323703400.db2.gz LMMMILBAXPLLAS-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CC2CCC(C)(C)CC2)C1 ZINC001024801241 1323703406 /nfs/dbraw/zinc/70/34/06/1323703406.db2.gz LMMMILBAXPLLAS-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1 ZINC001024813338 1323716521 /nfs/dbraw/zinc/71/65/21/1323716521.db2.gz ZLZLTKPOMVLAGJ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024813338 1323716526 /nfs/dbraw/zinc/71/65/26/1323716526.db2.gz ZLZLTKPOMVLAGJ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024813338 1323716531 /nfs/dbraw/zinc/71/65/31/1323716531.db2.gz ZLZLTKPOMVLAGJ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCCC[N@@H+]1C/C=C/Cl ZINC001024814410 1323718338 /nfs/dbraw/zinc/71/83/38/1323718338.db2.gz SPUVOXUVYJKFHM-VDZSZVPASA-N 2 1 349.906 3.085 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCCC[N@H+]1C/C=C/Cl ZINC001024814410 1323718344 /nfs/dbraw/zinc/71/83/44/1323718344.db2.gz SPUVOXUVYJKFHM-VDZSZVPASA-N 2 1 349.906 3.085 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCC2)C1 ZINC001024981943 1323812053 /nfs/dbraw/zinc/81/20/53/1323812053.db2.gz ANDQYZWKXXOVOP-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001024989635 1323815952 /nfs/dbraw/zinc/81/59/52/1323815952.db2.gz URAZYWCRKPVENJ-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001025003583 1323821561 /nfs/dbraw/zinc/82/15/61/1323821561.db2.gz SZEOPOOZSNKBSE-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(Cc3csc(Nc4ccccc4)n3)C[C@@H]2C1 ZINC000931430990 1329116039 /nfs/dbraw/zinc/11/60/39/1329116039.db2.gz UKBLPPHJFMVBCC-CABCVRRESA-N 2 1 328.485 3.270 20 0 EGADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCCC[C@H]1C[NH2+]CC1CC1 ZINC001025056429 1323860154 /nfs/dbraw/zinc/86/01/54/1323860154.db2.gz OFMJXPRLNSEHOG-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@@H]2C1 ZINC000931437728 1329117586 /nfs/dbraw/zinc/11/75/86/1329117586.db2.gz NJGATZIPEJSZOJ-UXHICEINSA-N 2 1 349.478 3.322 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@@H]2C1 ZINC000931437728 1329117588 /nfs/dbraw/zinc/11/75/88/1329117588.db2.gz NJGATZIPEJSZOJ-UXHICEINSA-N 2 1 349.478 3.322 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@@H]2C1 ZINC000931437728 1329117590 /nfs/dbraw/zinc/11/75/90/1329117590.db2.gz NJGATZIPEJSZOJ-UXHICEINSA-N 2 1 349.478 3.322 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001025137198 1323914717 /nfs/dbraw/zinc/91/47/17/1323914717.db2.gz VXVRTFSLPNRFAC-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000859996253 1329124515 /nfs/dbraw/zinc/12/45/15/1329124515.db2.gz BMMUYDHUTGYDHI-SFHVURJKSA-N 2 1 330.472 3.056 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+]1CCC1CC1)C1CCC1 ZINC001025240342 1324034319 /nfs/dbraw/zinc/03/43/19/1324034319.db2.gz NMSRAECHGVPIIT-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCC1CC1)C1CCC1 ZINC001025240342 1324034324 /nfs/dbraw/zinc/03/43/24/1324034324.db2.gz NMSRAECHGVPIIT-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+]1CCC1CC1)C1CCC1 ZINC001025240342 1324034331 /nfs/dbraw/zinc/03/43/31/1324034331.db2.gz NMSRAECHGVPIIT-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240697 1324034365 /nfs/dbraw/zinc/03/43/65/1324034365.db2.gz QLPGRDISMFXEDK-RTBURBONSA-N 2 1 347.547 3.282 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001025246400 1324045593 /nfs/dbraw/zinc/04/55/93/1324045593.db2.gz WUVQMSDVPGZJCW-MOPGFXCFSA-N 2 1 340.471 3.122 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025273922 1324090236 /nfs/dbraw/zinc/09/02/36/1324090236.db2.gz IEWLJGIQIILSFS-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N1CCCC[C@@H]1[C@@H]1CCC[N@H+]1CC1CC1 ZINC001025301718 1324135288 /nfs/dbraw/zinc/13/52/88/1324135288.db2.gz OOCRCHVHGNQCCZ-VQTJNVASSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475873 1324320864 /nfs/dbraw/zinc/32/08/64/1324320864.db2.gz VUJAJORDSUGJHS-WMZOPIPTSA-N 2 1 342.487 3.211 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025494168 1324345821 /nfs/dbraw/zinc/34/58/21/1324345821.db2.gz VAVDUUDJIOYEGA-PKOBYXMFSA-N 2 1 345.531 3.031 20 0 EGADMP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001025525405 1324371300 /nfs/dbraw/zinc/37/13/00/1324371300.db2.gz NWARCPUFKMBELE-XLIONFOSSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001025527573 1324373492 /nfs/dbraw/zinc/37/34/92/1324373492.db2.gz YJRSMBDWEKRHRR-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC001025584526 1324425893 /nfs/dbraw/zinc/42/58/93/1324425893.db2.gz IRXDGAJPTSIQBG-FXAWDEMLSA-N 2 1 349.563 3.124 20 0 EGADMP CCc1onc(C)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000931746207 1329176009 /nfs/dbraw/zinc/17/60/09/1329176009.db2.gz AWBPAYDLZSAMDL-RBUKOAKNSA-N 2 1 339.483 3.499 20 0 EGADMP CCc1onc(C)c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000931746207 1329176014 /nfs/dbraw/zinc/17/60/14/1329176014.db2.gz AWBPAYDLZSAMDL-RBUKOAKNSA-N 2 1 339.483 3.499 20 0 EGADMP CCc1onc(C)c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931746207 1329176016 /nfs/dbraw/zinc/17/60/16/1329176016.db2.gz AWBPAYDLZSAMDL-RBUKOAKNSA-N 2 1 339.483 3.499 20 0 EGADMP CCc1onc(C)c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931746207 1329176021 /nfs/dbraw/zinc/17/60/21/1329176021.db2.gz AWBPAYDLZSAMDL-RBUKOAKNSA-N 2 1 339.483 3.499 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CCC([NH2+]CC3CCCC3)CC2)C1 ZINC001026547692 1324885306 /nfs/dbraw/zinc/88/53/06/1324885306.db2.gz WLARWOCJZZBWMC-XEVCZEQESA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001026561407 1324896967 /nfs/dbraw/zinc/89/69/67/1324896967.db2.gz ZOBSCQGKUDYGLI-QHGAOEGBSA-N 2 1 349.563 3.458 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NC2CCC([NH2+]CC3CCCCCC3)CC2)C1 ZINC001026592661 1324918599 /nfs/dbraw/zinc/91/85/99/1324918599.db2.gz KQEUMQUMCAWHNC-HDYDNRTBSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026935004 1325091019 /nfs/dbraw/zinc/09/10/19/1325091019.db2.gz GVWWPCOKXZSYAD-PMACEKPBSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963329224 1325113253 /nfs/dbraw/zinc/11/32/53/1325113253.db2.gz XCUKRQXJEBCKEV-IEBWSBKVSA-N 2 1 340.471 3.061 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360373 1325156423 /nfs/dbraw/zinc/15/64/23/1325156423.db2.gz MIRRBOXKKHAVEQ-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963360373 1325156428 /nfs/dbraw/zinc/15/64/28/1325156428.db2.gz MIRRBOXKKHAVEQ-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963360373 1325156433 /nfs/dbraw/zinc/15/64/33/1325156433.db2.gz MIRRBOXKKHAVEQ-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP COc1ccc(Oc2cc(C[NH2+][C@@H]3C[C@H]([NH3+])C34CCC4)ccn2)cc1 ZINC000925472671 1325166604 /nfs/dbraw/zinc/16/66/04/1325166604.db2.gz FTKHQDNKSDMHDC-ZWKOTPCHSA-N 2 1 339.439 3.242 20 0 EGADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC1 ZINC000925506090 1325182208 /nfs/dbraw/zinc/18/22/08/1325182208.db2.gz XMGQDKJIHXVWQH-CQQLTZKSSA-N 2 1 327.516 3.331 20 0 EGADMP CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963386782 1325186910 /nfs/dbraw/zinc/18/69/10/1325186910.db2.gz RDCPLIHWMCJHQR-DLBZAZTESA-N 2 1 346.519 3.190 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963386782 1325186917 /nfs/dbraw/zinc/18/69/17/1325186917.db2.gz RDCPLIHWMCJHQR-DLBZAZTESA-N 2 1 346.519 3.190 20 0 EGADMP C[N@H+]1CC[C@H](CN[C@H]2CC[NH2+]C2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925631100 1325239456 /nfs/dbraw/zinc/23/94/56/1325239456.db2.gz UQPNCRKRJALJHQ-COXVUDFISA-N 2 1 339.886 3.202 20 0 EGADMP CN(C)[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1cccc(C(F)(F)F)c1 ZINC000925642956 1325244635 /nfs/dbraw/zinc/24/46/35/1325244635.db2.gz UOBIKTBUOBUIDT-OWCLPIDISA-N 2 1 341.421 3.168 20 0 EGADMP C[N@@H+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027334226 1325492885 /nfs/dbraw/zinc/49/28/85/1325492885.db2.gz KSGNVLZPGZBJSS-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001027334226 1325492888 /nfs/dbraw/zinc/49/28/88/1325492888.db2.gz KSGNVLZPGZBJSS-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001027334226 1325492895 /nfs/dbraw/zinc/49/28/95/1325492895.db2.gz KSGNVLZPGZBJSS-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C)C(=O)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926263130 1325495412 /nfs/dbraw/zinc/49/54/12/1325495412.db2.gz OGWORHMBXJVEIM-OHSMVPPVSA-N 2 1 343.515 3.029 20 0 EGADMP CCN(C)C(=O)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926263130 1325495416 /nfs/dbraw/zinc/49/54/16/1325495416.db2.gz OGWORHMBXJVEIM-OHSMVPPVSA-N 2 1 343.515 3.029 20 0 EGADMP c1ccc(C[NH+]2CC[C@H](CN[C@H]3CCC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000926327577 1325518800 /nfs/dbraw/zinc/51/88/00/1325518800.db2.gz XWKHCVMPUKZLTR-QHAWAJNXSA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](CN[C@H]3CCC[NH+]4CCCC[C@H]34)C2)cc1 ZINC000926327577 1325518805 /nfs/dbraw/zinc/51/88/05/1325518805.db2.gz XWKHCVMPUKZLTR-QHAWAJNXSA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN[C@H]3CCC[NH+]4CCCC[C@H]34)C2)cc1 ZINC000926327577 1325518812 /nfs/dbraw/zinc/51/88/12/1325518812.db2.gz XWKHCVMPUKZLTR-QHAWAJNXSA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3CCCN4CCCC[C@H]34)C2)cc1 ZINC000926327577 1325518819 /nfs/dbraw/zinc/51/88/19/1325518819.db2.gz XWKHCVMPUKZLTR-QHAWAJNXSA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CCCN4CCCC[C@H]34)C2)cc1 ZINC000926327577 1325518824 /nfs/dbraw/zinc/51/88/24/1325518824.db2.gz XWKHCVMPUKZLTR-QHAWAJNXSA-N 2 1 327.516 3.115 20 0 EGADMP CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857140680 1325579049 /nfs/dbraw/zinc/57/90/49/1325579049.db2.gz BGYRMROJVQGXSR-UXHICEINSA-N 2 1 343.515 3.052 20 0 EGADMP CC(C)CN(CC[NH+](C)C)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857156843 1325584862 /nfs/dbraw/zinc/58/48/62/1325584862.db2.gz YQWLAVMKVXXPJM-HXUWFJFHSA-N 2 1 345.531 3.156 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027409843 1327635533 /nfs/dbraw/zinc/63/55/33/1327635533.db2.gz OTTLXWCOHXGRLN-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027409843 1327635539 /nfs/dbraw/zinc/63/55/39/1327635539.db2.gz OTTLXWCOHXGRLN-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027409843 1327635545 /nfs/dbraw/zinc/63/55/45/1327635545.db2.gz OTTLXWCOHXGRLN-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC1CC(C[N@@H+](C)[C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001027410727 1327637723 /nfs/dbraw/zinc/63/77/23/1327637723.db2.gz HESKZPMTOMBAIC-CTWPCTMYSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027435154 1327674260 /nfs/dbraw/zinc/67/42/60/1327674260.db2.gz ZGJFYWBSDLQDBB-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001027435154 1327674268 /nfs/dbraw/zinc/67/42/68/1327674268.db2.gz ZGJFYWBSDLQDBB-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001027435154 1327674278 /nfs/dbraw/zinc/67/42/78/1327674278.db2.gz ZGJFYWBSDLQDBB-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001027441220 1327681585 /nfs/dbraw/zinc/68/15/85/1327681585.db2.gz BILNJZZRGPZUIM-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCCC2)C1)C1CCC1 ZINC001027441220 1327681590 /nfs/dbraw/zinc/68/15/90/1327681590.db2.gz BILNJZZRGPZUIM-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCCC2)C1)C1CCC1 ZINC001027441220 1327681599 /nfs/dbraw/zinc/68/15/99/1327681599.db2.gz BILNJZZRGPZUIM-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1ccccc1C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001027453025 1327693921 /nfs/dbraw/zinc/69/39/21/1327693921.db2.gz XVVMBMJCOJUHDO-PMACEKPBSA-N 2 1 345.531 3.004 20 0 EGADMP C[N@@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027478606 1327733283 /nfs/dbraw/zinc/73/32/83/1327733283.db2.gz VZQKACPBHLIHOB-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCC2)C1)[NH+](C)C ZINC001027563986 1327887705 /nfs/dbraw/zinc/88/77/05/1327887705.db2.gz PQYWQUDIRQVMPB-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC[C@H]([N@@H+](C)CC3CC(C)(C)C3)C2)CC1 ZINC001027628451 1327992356 /nfs/dbraw/zinc/99/23/56/1327992356.db2.gz BNHPAELESHNZOP-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1)c1ccccc1 ZINC001027697902 1328108134 /nfs/dbraw/zinc/10/81/34/1328108134.db2.gz YQNRYHRMOQXIPK-PMACEKPBSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1)c1ccccc1 ZINC001027697902 1328108139 /nfs/dbraw/zinc/10/81/39/1328108139.db2.gz YQNRYHRMOQXIPK-PMACEKPBSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027879197 1328344017 /nfs/dbraw/zinc/34/40/17/1328344017.db2.gz PAJBKDISWUMJFL-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001027879197 1328344024 /nfs/dbraw/zinc/34/40/24/1328344024.db2.gz PAJBKDISWUMJFL-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001027879197 1328344033 /nfs/dbraw/zinc/34/40/33/1328344033.db2.gz PAJBKDISWUMJFL-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC1CC(C[N@@H+]2CCC[C@H]2CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001027912405 1328386770 /nfs/dbraw/zinc/38/67/70/1328386770.db2.gz BVJWSPXDNKMYRF-DQPZFDDXSA-N 2 1 349.544 3.050 20 0 EGADMP CC1CC(C[N@H+]2CCC[C@H]2CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001027912405 1328386779 /nfs/dbraw/zinc/38/67/79/1328386779.db2.gz BVJWSPXDNKMYRF-DQPZFDDXSA-N 2 1 349.544 3.050 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913088 1328389097 /nfs/dbraw/zinc/38/90/97/1328389097.db2.gz GCIRLGBSRQIEOB-ZBFHGGJFSA-N 2 1 337.533 3.050 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913088 1328389105 /nfs/dbraw/zinc/38/91/05/1328389105.db2.gz GCIRLGBSRQIEOB-ZBFHGGJFSA-N 2 1 337.533 3.050 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027931773 1328410413 /nfs/dbraw/zinc/41/04/13/1328410413.db2.gz KJMHKVMMKCMZHW-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001027931773 1328410422 /nfs/dbraw/zinc/41/04/22/1328410422.db2.gz KJMHKVMMKCMZHW-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001027931773 1328410426 /nfs/dbraw/zinc/41/04/26/1328410426.db2.gz KJMHKVMMKCMZHW-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CCCn1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)nn1 ZINC000865415027 1329693962 /nfs/dbraw/zinc/69/39/62/1329693962.db2.gz XFWQGNZZWMJUKM-KRWDZBQOSA-N 2 1 341.503 3.352 20 0 EGADMP CCCn1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)nn1 ZINC000865415027 1329693964 /nfs/dbraw/zinc/69/39/64/1329693964.db2.gz XFWQGNZZWMJUKM-KRWDZBQOSA-N 2 1 341.503 3.352 20 0 EGADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)CC1(C)OCCO1 ZINC000865673886 1329728057 /nfs/dbraw/zinc/72/80/57/1329728057.db2.gz LLXMIRJZFIPVEE-SFHVURJKSA-N 2 1 346.515 3.072 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000866666322 1330139479 /nfs/dbraw/zinc/13/94/79/1330139479.db2.gz QJHQBJPTRMNOOH-YQVWRLOYSA-N 2 1 329.488 3.034 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2c(Cl)cncc2Cl)C1 ZINC000866668471 1330139679 /nfs/dbraw/zinc/13/96/79/1330139679.db2.gz DONGRDRCNTUWEL-HFBAOOFYSA-N 2 1 344.286 3.249 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2c(Cl)cncc2Cl)C1 ZINC000866668471 1330139681 /nfs/dbraw/zinc/13/96/81/1330139681.db2.gz DONGRDRCNTUWEL-HFBAOOFYSA-N 2 1 344.286 3.249 20 0 EGADMP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])co1 ZINC000866667127 1330139739 /nfs/dbraw/zinc/13/97/39/1330139739.db2.gz BHXBUPCMBANFLS-RHSMWYFYSA-N 2 1 329.444 3.300 20 0 EGADMP COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])co1 ZINC000866667127 1330139741 /nfs/dbraw/zinc/13/97/41/1330139741.db2.gz BHXBUPCMBANFLS-RHSMWYFYSA-N 2 1 329.444 3.300 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941064196 1331316247 /nfs/dbraw/zinc/31/62/47/1331316247.db2.gz LOHUIOXBXFIBFA-DLBZAZTESA-N 2 1 348.535 3.269 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941064196 1331316248 /nfs/dbraw/zinc/31/62/48/1331316248.db2.gz LOHUIOXBXFIBFA-DLBZAZTESA-N 2 1 348.535 3.269 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[N@H+](CCC(C)C)C[C@H]2C)ccc2c[nH+]cn21 ZINC000942206463 1331879152 /nfs/dbraw/zinc/87/91/52/1331879152.db2.gz ZTIUFQUQYPHRIZ-BEFAXECRSA-N 2 1 342.487 3.129 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945089329 1332497212 /nfs/dbraw/zinc/49/72/12/1332497212.db2.gz FZUAPTAOSUMUHQ-PXNSSMCTSA-N 2 1 345.531 3.235 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945338325 1332561112 /nfs/dbraw/zinc/56/11/12/1332561112.db2.gz ZYAGRJZYMHVUKL-AEFFLSMTSA-N 2 1 349.519 3.362 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CCC1CC1 ZINC000947310273 1333084270 /nfs/dbraw/zinc/08/42/70/1333084270.db2.gz ONEZUAUPXZYCJB-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CC1CCC1 ZINC000947310313 1333084285 /nfs/dbraw/zinc/08/42/85/1333084285.db2.gz PDLDBWKZQLGHLH-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947309865 1333084612 /nfs/dbraw/zinc/08/46/12/1333084612.db2.gz IIXCNSLYPUFVRT-ROUUACIJSA-N 2 1 335.536 3.186 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1CCC(C)(C)C ZINC000947438094 1333127410 /nfs/dbraw/zinc/12/74/10/1333127410.db2.gz UKXGPGFLLNFMCY-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1CCC(C)(C)C ZINC000947551544 1333169230 /nfs/dbraw/zinc/16/92/30/1333169230.db2.gz MHBHFDJUXGVJBH-NVXWUHKLSA-N 2 1 342.487 3.353 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1CC(C)(C)C1 ZINC000947615828 1333194328 /nfs/dbraw/zinc/19/43/28/1333194328.db2.gz LSMACOHJKQDSEK-FUHWJXTLSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC000947663909 1333213969 /nfs/dbraw/zinc/21/39/69/1333213969.db2.gz ZQHBLRMPCDDKOH-MAUKXSAKSA-N 2 1 349.519 3.360 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC000947663911 1333214022 /nfs/dbraw/zinc/21/40/22/1333214022.db2.gz ZQHBLRMPCDDKOH-YJBOKZPZSA-N 2 1 349.519 3.360 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CC3=CCCCC3)[C@@H](C)C2)CC1 ZINC000947851812 1333279524 /nfs/dbraw/zinc/27/95/24/1333279524.db2.gz AVQUTPLTLUUOBK-AZUAARDMSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1CC1CCC1 ZINC000948064407 1333360716 /nfs/dbraw/zinc/36/07/16/1333360716.db2.gz CAVUZHUNHNLNNJ-LPHOPBHVSA-N 2 1 343.515 3.131 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948067114 1333362524 /nfs/dbraw/zinc/36/25/24/1333362524.db2.gz UCOBJUMYVLVGLF-SJLPKXTDSA-N 2 1 331.504 3.131 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948435693 1333523946 /nfs/dbraw/zinc/52/39/46/1333523946.db2.gz NVMSQGJSLVDTEG-WOJBJXKFSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435693 1333523951 /nfs/dbraw/zinc/52/39/51/1333523951.db2.gz NVMSQGJSLVDTEG-WOJBJXKFSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435693 1333523954 /nfs/dbraw/zinc/52/39/54/1333523954.db2.gz NVMSQGJSLVDTEG-WOJBJXKFSA-N 2 1 349.563 3.243 20 0 EGADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000948553922 1333572459 /nfs/dbraw/zinc/57/24/59/1333572459.db2.gz OGRNYZLLUJNJTC-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC000948553922 1333572467 /nfs/dbraw/zinc/57/24/67/1333572467.db2.gz OGRNYZLLUJNJTC-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC000948553922 1333572471 /nfs/dbraw/zinc/57/24/71/1333572471.db2.gz OGRNYZLLUJNJTC-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948574508 1333582880 /nfs/dbraw/zinc/58/28/80/1333582880.db2.gz GXEOCAFXYRKNIH-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948574508 1333582883 /nfs/dbraw/zinc/58/28/83/1333582883.db2.gz GXEOCAFXYRKNIH-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948574508 1333582884 /nfs/dbraw/zinc/58/28/84/1333582884.db2.gz GXEOCAFXYRKNIH-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948591240 1333587660 /nfs/dbraw/zinc/58/76/60/1333587660.db2.gz TUUURKXWHKHYDR-KRWDZBQOSA-N 2 1 328.460 3.061 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948742445 1333654652 /nfs/dbraw/zinc/65/46/52/1333654652.db2.gz JSMKIIPIHVMPKX-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000948755601 1333663797 /nfs/dbraw/zinc/66/37/97/1333663797.db2.gz FGUMUUDIPXIAGA-UYAOXDASSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000948755601 1333663799 /nfs/dbraw/zinc/66/37/99/1333663799.db2.gz FGUMUUDIPXIAGA-UYAOXDASSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC000948775737 1333674329 /nfs/dbraw/zinc/67/43/29/1333674329.db2.gz PTRDAVQDDVVQHO-AEFFLSMTSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC000948775737 1333674333 /nfs/dbraw/zinc/67/43/33/1333674333.db2.gz PTRDAVQDDVVQHO-AEFFLSMTSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccsc2)CC1 ZINC000948775737 1333674334 /nfs/dbraw/zinc/67/43/34/1333674334.db2.gz PTRDAVQDDVVQHO-AEFFLSMTSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC000948775544 1333674754 /nfs/dbraw/zinc/67/47/54/1333674754.db2.gz KVGYSZXCJFBLAL-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC000948775544 1333674757 /nfs/dbraw/zinc/67/47/57/1333674757.db2.gz KVGYSZXCJFBLAL-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000948775544 1333674760 /nfs/dbraw/zinc/67/47/60/1333674760.db2.gz KVGYSZXCJFBLAL-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000948854356 1333710390 /nfs/dbraw/zinc/71/03/90/1333710390.db2.gz LRTIREFVFAMUGK-OALUTQOASA-N 2 1 343.515 3.075 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC000949800817 1333926487 /nfs/dbraw/zinc/92/64/87/1333926487.db2.gz KUAGFLNQYGNXBA-HXUWFJFHSA-N 2 1 349.563 3.223 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1C[NH+](CC2CCCC2)C1 ZINC000950508348 1334082978 /nfs/dbraw/zinc/08/29/78/1334082978.db2.gz LEFGYOZNYRHGJN-HXUWFJFHSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H](C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000951192653 1334202939 /nfs/dbraw/zinc/20/29/39/1334202939.db2.gz TWXMJDTZPBQKOW-RTBURBONSA-N 2 1 343.515 3.156 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1C[NH+](CCCC2CCCC2)C1 ZINC000951369090 1334233525 /nfs/dbraw/zinc/23/35/25/1334233525.db2.gz YOGRNDGFOAAXIQ-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CC[N@@H+](CC2CCCCC2)C[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968332747 1335891975 /nfs/dbraw/zinc/89/19/75/1335891975.db2.gz YLMKVOFKALVVTE-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CC2CCCCC2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000968332747 1335891977 /nfs/dbraw/zinc/89/19/77/1335891977.db2.gz YLMKVOFKALVVTE-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CC2CCCCC2)C[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000968332747 1335891980 /nfs/dbraw/zinc/89/19/80/1335891980.db2.gz YLMKVOFKALVVTE-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[N@@H+](CC2=CCCCC2)C[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968386800 1335915053 /nfs/dbraw/zinc/91/50/53/1335915053.db2.gz PPXDLUMEXPPJIB-PXNSSMCTSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1=CCCCC1 ZINC000968782020 1336048899 /nfs/dbraw/zinc/04/88/99/1336048899.db2.gz RBBJEWALUWGPSY-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1=CCCCC1 ZINC000968782020 1336048902 /nfs/dbraw/zinc/04/89/02/1336048902.db2.gz RBBJEWALUWGPSY-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCC1=CCCCC1 ZINC000968782020 1336048905 /nfs/dbraw/zinc/04/89/05/1336048905.db2.gz RBBJEWALUWGPSY-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1 ZINC000968850009 1336067745 /nfs/dbraw/zinc/06/77/45/1336067745.db2.gz MNCISZSVSNYXMC-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CC1 ZINC000968850009 1336067749 /nfs/dbraw/zinc/06/77/49/1336067749.db2.gz MNCISZSVSNYXMC-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCC1CC1 ZINC000968850009 1336067753 /nfs/dbraw/zinc/06/77/53/1336067753.db2.gz MNCISZSVSNYXMC-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000968858378 1336070516 /nfs/dbraw/zinc/07/05/16/1336070516.db2.gz CSWBLFIYFHLUQO-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000968858378 1336070518 /nfs/dbraw/zinc/07/05/18/1336070518.db2.gz CSWBLFIYFHLUQO-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000968858378 1336070520 /nfs/dbraw/zinc/07/05/20/1336070520.db2.gz CSWBLFIYFHLUQO-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968888046 1336080629 /nfs/dbraw/zinc/08/06/29/1336080629.db2.gz PYJSAYZSFLREBC-ROUUACIJSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968888046 1336080632 /nfs/dbraw/zinc/08/06/32/1336080632.db2.gz PYJSAYZSFLREBC-ROUUACIJSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CC2CCC2)C1 ZINC000968888730 1336080863 /nfs/dbraw/zinc/08/08/63/1336080863.db2.gz YMKQDXCHGVRMEH-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC2CCC2)C1 ZINC000968888730 1336080864 /nfs/dbraw/zinc/08/08/64/1336080864.db2.gz YMKQDXCHGVRMEH-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC2CCC2)C1 ZINC000968888730 1336080868 /nfs/dbraw/zinc/08/08/68/1336080868.db2.gz YMKQDXCHGVRMEH-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968933948 1336095156 /nfs/dbraw/zinc/09/51/56/1336095156.db2.gz IJUUWROOWYQBLO-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936947 1336096564 /nfs/dbraw/zinc/09/65/64/1336096564.db2.gz VQWRWBQOABDYBQ-GOSISDBHSA-N 2 1 340.471 3.275 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCC2CCCCC2)C1 ZINC000969144422 1336161094 /nfs/dbraw/zinc/16/10/94/1336161094.db2.gz LNECUOQULVGBNT-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC2CCCCC2)C1 ZINC000969144422 1336161096 /nfs/dbraw/zinc/16/10/96/1336161096.db2.gz LNECUOQULVGBNT-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CCC2CCCCC2)C1 ZINC000969144422 1336161098 /nfs/dbraw/zinc/16/10/98/1336161098.db2.gz LNECUOQULVGBNT-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000969152119 1336163754 /nfs/dbraw/zinc/16/37/54/1336163754.db2.gz BREGQFOODSUTOI-GOSISDBHSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCCC2CCCC2)C1 ZINC000969799347 1336248989 /nfs/dbraw/zinc/24/89/89/1336248989.db2.gz WBADVGJPFDYCNX-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1C[NH+](CC2CCCC2)C1 ZINC000969829272 1336252048 /nfs/dbraw/zinc/25/20/48/1336252048.db2.gz BJKYJHMFOGEOCP-JXFKEZNVSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001005639276 1336386596 /nfs/dbraw/zinc/38/65/96/1336386596.db2.gz HRDKVDDVJMDAIP-PKOBYXMFSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001005992826 1336435609 /nfs/dbraw/zinc/43/56/09/1336435609.db2.gz VVGFCCBLRGOWBD-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC[NH+](CC3CCC(C)CC3)CC2)C1 ZINC001005990929 1336435681 /nfs/dbraw/zinc/43/56/81/1336435681.db2.gz JUXGHYLNROWFJZ-XBMUEBEBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001007455033 1336649508 /nfs/dbraw/zinc/64/95/08/1336649508.db2.gz BUASWEWCWPDHRP-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001007455033 1336649509 /nfs/dbraw/zinc/64/95/09/1336649509.db2.gz BUASWEWCWPDHRP-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001007455033 1336649510 /nfs/dbraw/zinc/64/95/10/1336649510.db2.gz BUASWEWCWPDHRP-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007500197 1336658498 /nfs/dbraw/zinc/65/84/98/1336658498.db2.gz RGEJJSDUOINJKJ-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007500197 1336658501 /nfs/dbraw/zinc/65/85/01/1336658501.db2.gz RGEJJSDUOINJKJ-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007500197 1336658502 /nfs/dbraw/zinc/65/85/02/1336658502.db2.gz RGEJJSDUOINJKJ-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](CC(CC)CC)C2)C1 ZINC001008276526 1336811971 /nfs/dbraw/zinc/81/19/71/1336811971.db2.gz MKOHZUZQYJJBAJ-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@H+](CC(CC)CC)C2)C1 ZINC001008276526 1336811974 /nfs/dbraw/zinc/81/19/74/1336811974.db2.gz MKOHZUZQYJJBAJ-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC(CC)CC)C2)C1 ZINC001008276526 1336811977 /nfs/dbraw/zinc/81/19/77/1336811977.db2.gz MKOHZUZQYJJBAJ-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CCCC3CCCC3)C2)C1 ZINC001008552887 1336879982 /nfs/dbraw/zinc/87/99/82/1336879982.db2.gz RMDVUVGEBDQANO-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001008750588 1336920811 /nfs/dbraw/zinc/92/08/11/1336920811.db2.gz WTBNHECCIHCVMK-UYAOXDASSA-N 2 1 347.547 3.332 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1)[C@@]12CC[NH+](C1)CCC2 ZINC001009328414 1337007890 /nfs/dbraw/zinc/00/78/90/1337007890.db2.gz LASFSQHSSUMOCA-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CCCC2CCCC2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001009328414 1337007891 /nfs/dbraw/zinc/00/78/91/1337007891.db2.gz LASFSQHSSUMOCA-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CCCC2CCCC2)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001009328414 1337007892 /nfs/dbraw/zinc/00/78/92/1337007892.db2.gz LASFSQHSSUMOCA-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(O)ccc2Br)CC1 ZINC001206303045 1371016004 /nfs/dbraw/zinc/01/60/04/1371016004.db2.gz AOIIYDMYLLYDHT-OAHLLOKOSA-N 2 1 327.266 3.106 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433449 1337776669 /nfs/dbraw/zinc/77/66/69/1337776669.db2.gz KJNWBGQKHRPCQV-ROUUACIJSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014433449 1337776672 /nfs/dbraw/zinc/77/66/72/1337776672.db2.gz KJNWBGQKHRPCQV-ROUUACIJSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014433449 1337776675 /nfs/dbraw/zinc/77/66/75/1337776675.db2.gz KJNWBGQKHRPCQV-ROUUACIJSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1cc(C[NH+]2CC[C@H](NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)cs1 ZINC001014724866 1337885724 /nfs/dbraw/zinc/88/57/24/1337885724.db2.gz XRFQRZULCHWNBL-ZWKOTPCHSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C[C@H]3CCC[NH+]3C(C)C)C2)cs1 ZINC001014724866 1337885728 /nfs/dbraw/zinc/88/57/28/1337885728.db2.gz XRFQRZULCHWNBL-ZWKOTPCHSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CCC[NH+]3C(C)C)C2)cs1 ZINC001014724866 1337885736 /nfs/dbraw/zinc/88/57/36/1337885736.db2.gz XRFQRZULCHWNBL-ZWKOTPCHSA-N 2 1 349.544 3.010 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001014724270 1337885927 /nfs/dbraw/zinc/88/59/27/1337885927.db2.gz SRUCDUJHFLTUCB-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001014724270 1337885931 /nfs/dbraw/zinc/88/59/31/1337885931.db2.gz SRUCDUJHFLTUCB-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001014724270 1337885934 /nfs/dbraw/zinc/88/59/34/1337885934.db2.gz SRUCDUJHFLTUCB-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CCC2CCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001014730917 1337890515 /nfs/dbraw/zinc/89/05/15/1337890515.db2.gz YMQATZJYTSSPRK-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CC[NH+](CCC2CCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001014730917 1337890517 /nfs/dbraw/zinc/89/05/17/1337890517.db2.gz YMQATZJYTSSPRK-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CC[NH+](CCC2CCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001014730917 1337890521 /nfs/dbraw/zinc/89/05/21/1337890521.db2.gz YMQATZJYTSSPRK-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)ccc2c[nH+]cn21 ZINC001015033578 1337996544 /nfs/dbraw/zinc/99/65/44/1337996544.db2.gz RFRMUVDAXOGZME-QAPCUYQASA-N 2 1 348.450 3.208 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccc2c[nH+]cn21 ZINC001015033580 1337997108 /nfs/dbraw/zinc/99/71/08/1337997108.db2.gz RFRMUVDAXOGZME-YJBOKZPZSA-N 2 1 348.450 3.208 20 0 EGADMP CC1(C)CCC(C[N@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001015089184 1338013404 /nfs/dbraw/zinc/01/34/04/1338013404.db2.gz HVAZKROUDXXNGN-SFHVURJKSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1)[NH+]1CCCC1 ZINC001015497204 1338159628 /nfs/dbraw/zinc/15/96/28/1338159628.db2.gz BTFAUNWPUPWPEH-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001015623666 1338211709 /nfs/dbraw/zinc/21/17/09/1338211709.db2.gz ZTWRJCNOVQPSHV-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001015623666 1338211711 /nfs/dbraw/zinc/21/17/11/1338211711.db2.gz ZTWRJCNOVQPSHV-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001015622962 1338212024 /nfs/dbraw/zinc/21/20/24/1338212024.db2.gz MSTRHZNXGBHIKK-SFHVURJKSA-N 2 1 345.487 3.036 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001015622962 1338212025 /nfs/dbraw/zinc/21/20/25/1338212025.db2.gz MSTRHZNXGBHIKK-SFHVURJKSA-N 2 1 345.487 3.036 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001015781507 1338307359 /nfs/dbraw/zinc/30/73/59/1338307359.db2.gz MOMAMVMOZIVRPZ-SFHVURJKSA-N 2 1 344.503 3.088 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001015781507 1338307360 /nfs/dbraw/zinc/30/73/60/1338307360.db2.gz MOMAMVMOZIVRPZ-SFHVURJKSA-N 2 1 344.503 3.088 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015796222 1338315491 /nfs/dbraw/zinc/31/54/91/1338315491.db2.gz WCTCWYIXBQYSIT-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001016329196 1338552474 /nfs/dbraw/zinc/55/24/74/1338552474.db2.gz KKGPVAQZEGJODV-IBGZPJMESA-N 2 1 343.515 3.133 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCCC2)C1)[NH+](C)C ZINC001017211820 1338957139 /nfs/dbraw/zinc/95/71/39/1338957139.db2.gz LQXQUTWQSXPHNH-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1)[NH+]1CCCCC1 ZINC001017265804 1338990971 /nfs/dbraw/zinc/99/09/71/1338990971.db2.gz DIFONFCPVZNXTG-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1)CC1CCCCCC1 ZINC001017266266 1338992131 /nfs/dbraw/zinc/99/21/31/1338992131.db2.gz LWIKSYLULBOHKP-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)CC1CCCCCC1 ZINC001017266266 1338992133 /nfs/dbraw/zinc/99/21/33/1338992133.db2.gz LWIKSYLULBOHKP-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)CC1CCCCCC1 ZINC001017266266 1338992135 /nfs/dbraw/zinc/99/21/35/1338992135.db2.gz LWIKSYLULBOHKP-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001017735773 1339407199 /nfs/dbraw/zinc/40/71/99/1339407199.db2.gz KTTYLMONRTXKES-HDICACEKSA-N 2 1 340.471 3.059 20 0 EGADMP CC(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001018309950 1339571480 /nfs/dbraw/zinc/57/14/80/1339571480.db2.gz BIOWNHICZCVTNI-HSALFYBXSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001018309950 1339571482 /nfs/dbraw/zinc/57/14/82/1339571482.db2.gz BIOWNHICZCVTNI-HSALFYBXSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001018314398 1339573301 /nfs/dbraw/zinc/57/33/01/1339573301.db2.gz TZCPZYRGULDCFX-ZCNNSNEGSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001018314398 1339573303 /nfs/dbraw/zinc/57/33/03/1339573303.db2.gz TZCPZYRGULDCFX-ZCNNSNEGSA-N 2 1 347.547 3.138 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCC1 ZINC001028252361 1340512240 /nfs/dbraw/zinc/51/22/40/1340512240.db2.gz UZMBNHDUYQDQPQ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCC1 ZINC001028252361 1340512242 /nfs/dbraw/zinc/51/22/42/1340512242.db2.gz UZMBNHDUYQDQPQ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCC1 ZINC001028252361 1340512245 /nfs/dbraw/zinc/51/22/45/1340512245.db2.gz UZMBNHDUYQDQPQ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001028332156 1340570065 /nfs/dbraw/zinc/57/00/65/1340570065.db2.gz ABZDPRRMNKPZBC-FQEVSTJZSA-N 2 1 345.531 3.379 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@H+]1CCC(C)(C)C ZINC001028334222 1340571579 /nfs/dbraw/zinc/57/15/79/1340571579.db2.gz YADOUAYHAINYKV-GOSISDBHSA-N 2 1 345.531 3.379 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001028579709 1340712185 /nfs/dbraw/zinc/71/21/85/1340712185.db2.gz HJFDLUIPLICWOM-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001028579709 1340712190 /nfs/dbraw/zinc/71/21/90/1340712190.db2.gz HJFDLUIPLICWOM-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001028579709 1340712195 /nfs/dbraw/zinc/71/21/95/1340712195.db2.gz HJFDLUIPLICWOM-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594091 1340719686 /nfs/dbraw/zinc/71/96/86/1340719686.db2.gz AQZGBEHFZVBXLP-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594091 1340719692 /nfs/dbraw/zinc/71/96/92/1340719692.db2.gz AQZGBEHFZVBXLP-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594091 1340719703 /nfs/dbraw/zinc/71/97/03/1340719703.db2.gz AQZGBEHFZVBXLP-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001028647683 1340742507 /nfs/dbraw/zinc/74/25/07/1340742507.db2.gz LQKWGINKPDPOHB-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001028647683 1340742513 /nfs/dbraw/zinc/74/25/13/1340742513.db2.gz LQKWGINKPDPOHB-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001028647683 1340742516 /nfs/dbraw/zinc/74/25/16/1340742516.db2.gz LQKWGINKPDPOHB-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC([C@H](C)[NH2+]CC2CC2)CC1 ZINC001029100486 1340929965 /nfs/dbraw/zinc/92/99/65/1340929965.db2.gz ACNLHBNSOUHDOS-HOTGVXAUSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001029114637 1340933640 /nfs/dbraw/zinc/93/36/40/1340933640.db2.gz DRNWENZMJGDYAG-XLIONFOSSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001029502896 1341002214 /nfs/dbraw/zinc/00/22/14/1341002214.db2.gz ASYGEOHKSYYQPG-GBESFXJTSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029751632 1341063912 /nfs/dbraw/zinc/06/39/12/1341063912.db2.gz YQDFMWJYPNAXOT-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001029751632 1341063913 /nfs/dbraw/zinc/06/39/13/1341063913.db2.gz YQDFMWJYPNAXOT-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001029751632 1341063914 /nfs/dbraw/zinc/06/39/14/1341063914.db2.gz YQDFMWJYPNAXOT-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001029861551 1341098782 /nfs/dbraw/zinc/09/87/82/1341098782.db2.gz PPSBFUYPVCOQMW-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029861551 1341098784 /nfs/dbraw/zinc/09/87/84/1341098784.db2.gz PPSBFUYPVCOQMW-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029861551 1341098785 /nfs/dbraw/zinc/09/87/85/1341098785.db2.gz PPSBFUYPVCOQMW-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CC[NH+](CC(=O)N2CC[C@@H](C[N@@H+](C)CC3CCCCC3)C2)CC1 ZINC001029875436 1341101011 /nfs/dbraw/zinc/10/10/11/1341101011.db2.gz JRSBQSZFCZWXIA-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC1CCC(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001029947206 1341130991 /nfs/dbraw/zinc/13/09/91/1341130991.db2.gz JXOPOXNRLBYWDC-QLOJAFMTSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CCC(C[NH+](C)CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001029947206 1341130992 /nfs/dbraw/zinc/13/09/92/1341130992.db2.gz JXOPOXNRLBYWDC-QLOJAFMTSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CCC(C[NH+](C)CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001029947206 1341130993 /nfs/dbraw/zinc/13/09/93/1341130993.db2.gz JXOPOXNRLBYWDC-QLOJAFMTSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC(C[NH+](C)CC3CCC3)CC2)C1 ZINC001029986902 1341145823 /nfs/dbraw/zinc/14/58/23/1341145823.db2.gz ZKTGKWPNABYSEE-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC(C[N@H+](C)CC3CCC3)CC2)C1 ZINC001029986902 1341145824 /nfs/dbraw/zinc/14/58/24/1341145824.db2.gz ZKTGKWPNABYSEE-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC(C[N@@H+](C)CC3CCC3)CC2)C1 ZINC001029986902 1341145825 /nfs/dbraw/zinc/14/58/25/1341145825.db2.gz ZKTGKWPNABYSEE-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C(=O)N1CCC(C[N@@H+](C)[C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001029996759 1341151484 /nfs/dbraw/zinc/15/14/84/1341151484.db2.gz KYJNCBKHQGSQTA-PXNSSMCTSA-N 2 1 345.531 3.258 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC001030020511 1341159836 /nfs/dbraw/zinc/15/98/36/1341159836.db2.gz CMJFDAGLWVYFEC-ZCNNSNEGSA-N 2 1 343.515 3.203 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001030441537 1341187777 /nfs/dbraw/zinc/18/77/77/1341187777.db2.gz BAWXHKODGLTJJL-MJGOQNOKSA-N 2 1 343.515 3.119 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030441537 1341187779 /nfs/dbraw/zinc/18/77/79/1341187779.db2.gz BAWXHKODGLTJJL-MJGOQNOKSA-N 2 1 343.515 3.119 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CC(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001030445454 1341187964 /nfs/dbraw/zinc/18/79/64/1341187964.db2.gz ZYNQQEASYVBGFH-PXNSSMCTSA-N 2 1 343.515 3.119 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CC(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001030445454 1341187965 /nfs/dbraw/zinc/18/79/65/1341187965.db2.gz ZYNQQEASYVBGFH-PXNSSMCTSA-N 2 1 343.515 3.119 20 0 EGADMP O=C(NC1C[NH+](CC2CCCCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001030444164 1341188062 /nfs/dbraw/zinc/18/80/62/1341188062.db2.gz FFGPYKZFSGEVMS-HXUWFJFHSA-N 2 1 347.547 3.164 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001031188281 1341292273 /nfs/dbraw/zinc/29/22/73/1341292273.db2.gz GCRDXKLPHKFNBW-HXUWFJFHSA-N 2 1 343.515 3.059 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCc3cccc(Br)c3)C2)C1 ZINC001208824530 1371907546 /nfs/dbraw/zinc/90/75/46/1371907546.db2.gz IZBGOIGWOXGETQ-QGZVFWFLSA-N 2 1 337.305 3.409 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCc3cccc(Br)c3)C2)C1 ZINC001208824530 1371907551 /nfs/dbraw/zinc/90/75/51/1371907551.db2.gz IZBGOIGWOXGETQ-QGZVFWFLSA-N 2 1 337.305 3.409 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C ZINC001032800463 1341618340 /nfs/dbraw/zinc/61/83/40/1341618340.db2.gz KAVGBIOBVCGLGF-ROUUACIJSA-N 2 1 343.515 3.083 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033144954 1341738647 /nfs/dbraw/zinc/73/86/47/1341738647.db2.gz CWLBYKFJHWQHEB-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033144954 1341738648 /nfs/dbraw/zinc/73/86/48/1341738648.db2.gz CWLBYKFJHWQHEB-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033144954 1341738650 /nfs/dbraw/zinc/73/86/50/1341738650.db2.gz CWLBYKFJHWQHEB-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033230665 1341755543 /nfs/dbraw/zinc/75/55/43/1341755543.db2.gz RQESCNXOFFBNGY-LPHOPBHVSA-N 2 1 348.450 3.242 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3=CCCCC3)C2)C1 ZINC001033354041 1341793298 /nfs/dbraw/zinc/79/32/98/1341793298.db2.gz LXYMZRIRXXODQZ-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001033354041 1341793300 /nfs/dbraw/zinc/79/33/00/1341793300.db2.gz LXYMZRIRXXODQZ-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001033354041 1341793302 /nfs/dbraw/zinc/79/33/02/1341793302.db2.gz LXYMZRIRXXODQZ-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365133 1341797416 /nfs/dbraw/zinc/79/74/16/1341797416.db2.gz LIFFCENVDVSCPD-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365133 1341797417 /nfs/dbraw/zinc/79/74/17/1341797417.db2.gz LIFFCENVDVSCPD-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365133 1341797419 /nfs/dbraw/zinc/79/74/19/1341797419.db2.gz LIFFCENVDVSCPD-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCc3cccc(Br)c3)C2)C1 ZINC001208824530 1371907555 /nfs/dbraw/zinc/90/75/55/1371907555.db2.gz IZBGOIGWOXGETQ-QGZVFWFLSA-N 2 1 337.305 3.409 20 0 EGADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033426564 1341822031 /nfs/dbraw/zinc/82/20/31/1341822031.db2.gz RNDJNKQJADRCSN-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033426564 1341822034 /nfs/dbraw/zinc/82/20/34/1341822034.db2.gz RNDJNKQJADRCSN-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033426564 1341822036 /nfs/dbraw/zinc/82/20/36/1341822036.db2.gz RNDJNKQJADRCSN-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001033466005 1341837102 /nfs/dbraw/zinc/83/71/02/1341837102.db2.gz BLLWDTXKHBDKKN-PKOBYXMFSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001033467859 1341837811 /nfs/dbraw/zinc/83/78/11/1341837811.db2.gz RQZLDHKBONCYCP-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472180 1341840075 /nfs/dbraw/zinc/84/00/75/1341840075.db2.gz SMOXEIRSTXBXSQ-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033472180 1341840077 /nfs/dbraw/zinc/84/00/77/1341840077.db2.gz SMOXEIRSTXBXSQ-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033472180 1341840079 /nfs/dbraw/zinc/84/00/79/1341840079.db2.gz SMOXEIRSTXBXSQ-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033829280 1342029896 /nfs/dbraw/zinc/02/98/96/1342029896.db2.gz VYFGNJKLXICJCG-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033829280 1342029899 /nfs/dbraw/zinc/02/98/99/1342029899.db2.gz VYFGNJKLXICJCG-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033829280 1342029902 /nfs/dbraw/zinc/02/99/02/1342029902.db2.gz VYFGNJKLXICJCG-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033989120 1342132978 /nfs/dbraw/zinc/13/29/78/1342132978.db2.gz KMXMRUPHNFTDHK-YLJYHZDGSA-N 2 1 345.531 3.331 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033988745 1342133009 /nfs/dbraw/zinc/13/30/09/1342133009.db2.gz IINGXTGEGULHLO-HXUWFJFHSA-N 2 1 343.515 3.085 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001033990796 1342134113 /nfs/dbraw/zinc/13/41/13/1342134113.db2.gz XRYCBASMKYQJCP-YYLWEKDPSA-N 2 1 349.906 3.037 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001033990796 1342134114 /nfs/dbraw/zinc/13/41/14/1342134114.db2.gz XRYCBASMKYQJCP-YYLWEKDPSA-N 2 1 349.906 3.037 20 0 EGADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001034045578 1342185808 /nfs/dbraw/zinc/18/58/08/1342185808.db2.gz LLORUZKXKRHPIW-HXUWFJFHSA-N 2 1 343.515 3.251 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034203869 1342314341 /nfs/dbraw/zinc/31/43/41/1342314341.db2.gz HCHATNHDZBLNDF-ROUUACIJSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccsc2)C1 ZINC001034203869 1342314346 /nfs/dbraw/zinc/31/43/46/1342314346.db2.gz HCHATNHDZBLNDF-ROUUACIJSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccsc2)C1 ZINC001034203869 1342314348 /nfs/dbraw/zinc/31/43/48/1342314348.db2.gz HCHATNHDZBLNDF-ROUUACIJSA-N 2 1 349.544 3.092 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3=CCCCC3)C2)CC[N@H+]1C ZINC001034217868 1342323737 /nfs/dbraw/zinc/32/37/37/1342323737.db2.gz WNVSWOHHFAURGT-SLFFLAALSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](CC3=CCCCC3)C2)CC[NH+]1C ZINC001034217868 1342323738 /nfs/dbraw/zinc/32/37/38/1342323738.db2.gz WNVSWOHHFAURGT-SLFFLAALSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CC3=CCCCC3)C2)CC[NH+]1C ZINC001034217868 1342323739 /nfs/dbraw/zinc/32/37/39/1342323739.db2.gz WNVSWOHHFAURGT-SLFFLAALSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCCC3)C2)C1 ZINC001034237947 1342339049 /nfs/dbraw/zinc/33/90/49/1342339049.db2.gz DJGPZCMLQXURHV-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@H+](CC3CCCC3)C2)C1 ZINC001034237947 1342339052 /nfs/dbraw/zinc/33/90/52/1342339052.db2.gz DJGPZCMLQXURHV-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CC3CCCC3)C2)C1 ZINC001034237947 1342339055 /nfs/dbraw/zinc/33/90/55/1342339055.db2.gz DJGPZCMLQXURHV-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034251234 1342347883 /nfs/dbraw/zinc/34/78/83/1342347883.db2.gz XJHAFDKDXHIKIJ-ICSRJNTNSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034251234 1342347886 /nfs/dbraw/zinc/34/78/86/1342347886.db2.gz XJHAFDKDXHIKIJ-ICSRJNTNSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034251234 1342347889 /nfs/dbraw/zinc/34/78/89/1342347889.db2.gz XJHAFDKDXHIKIJ-ICSRJNTNSA-N 2 1 347.547 3.330 20 0 EGADMP O=C(N[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccn2c[nH+]cc2c1 ZINC001034291638 1342377389 /nfs/dbraw/zinc/37/73/89/1342377389.db2.gz NAFKFRIRZWLWAI-IBGZPJMESA-N 2 1 348.450 3.119 20 0 EGADMP CCCC[N@H+]1CCCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034332386 1342407053 /nfs/dbraw/zinc/40/70/53/1342407053.db2.gz YLOOTVJDOOVERG-IBGZPJMESA-N 2 1 345.531 3.175 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCC2=CCCCC2)C1 ZINC001034397196 1342464965 /nfs/dbraw/zinc/46/49/65/1342464965.db2.gz JIQLAHFIHNXRHN-AZUAARDMSA-N 2 1 347.547 3.332 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](CCC2=CCCCC2)C1 ZINC001034397196 1342464968 /nfs/dbraw/zinc/46/49/68/1342464968.db2.gz JIQLAHFIHNXRHN-AZUAARDMSA-N 2 1 347.547 3.332 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](CCC2=CCCCC2)C1 ZINC001034397196 1342464970 /nfs/dbraw/zinc/46/49/70/1342464970.db2.gz JIQLAHFIHNXRHN-AZUAARDMSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034471538 1342526834 /nfs/dbraw/zinc/52/68/34/1342526834.db2.gz DUJOHGSAEUEOTJ-LJQANCHMSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](CC3CCCCCC3)C2)C1 ZINC001034491859 1342548224 /nfs/dbraw/zinc/54/82/24/1342548224.db2.gz ZEHPKEIIXBVWFC-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@H+](CC3CCCCCC3)C2)C1 ZINC001034491859 1342548228 /nfs/dbraw/zinc/54/82/28/1342548228.db2.gz ZEHPKEIIXBVWFC-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001034491859 1342548233 /nfs/dbraw/zinc/54/82/33/1342548233.db2.gz ZEHPKEIIXBVWFC-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034538326 1342596785 /nfs/dbraw/zinc/59/67/85/1342596785.db2.gz LRBLDPFGOWYRQK-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001034538326 1342596789 /nfs/dbraw/zinc/59/67/89/1342596789.db2.gz LRBLDPFGOWYRQK-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001034538326 1342596792 /nfs/dbraw/zinc/59/67/92/1342596792.db2.gz LRBLDPFGOWYRQK-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@H](F)C[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034544972 1342605850 /nfs/dbraw/zinc/60/58/50/1342605850.db2.gz WROOLLIROGDNRI-ZWKOTPCHSA-N 2 1 349.494 3.081 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1 ZINC001034659187 1342675956 /nfs/dbraw/zinc/67/59/56/1342675956.db2.gz OPMZFTZTEZPRPF-VAMGGRTRSA-N 2 1 343.515 3.078 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(C)C3)CC2)C1 ZINC001034712073 1342708532 /nfs/dbraw/zinc/70/85/32/1342708532.db2.gz OLFRDEKERWZYTH-WFAGLZIHSA-N 2 1 349.563 3.172 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001034792122 1342761353 /nfs/dbraw/zinc/76/13/53/1342761353.db2.gz FQZPYVZKEZMMJK-GSEOLPGOSA-N 2 1 343.515 3.025 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034795672 1342762426 /nfs/dbraw/zinc/76/24/26/1342762426.db2.gz PJZRVSPLUANNRQ-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC001034816330 1342780518 /nfs/dbraw/zinc/78/05/18/1342780518.db2.gz NCEGPPHUKVVZFC-LJQANCHMSA-N 2 1 343.515 3.067 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001034958568 1342853483 /nfs/dbraw/zinc/85/34/83/1342853483.db2.gz KOQRTYJIJPJCOL-ZWKOTPCHSA-N 2 1 349.544 3.092 20 0 EGADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001035024954 1342883913 /nfs/dbraw/zinc/88/39/13/1342883913.db2.gz YDZZPFTYDOMIPL-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001035193895 1343008131 /nfs/dbraw/zinc/00/81/31/1343008131.db2.gz RNKKXAZGEORNPA-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001035198033 1343011769 /nfs/dbraw/zinc/01/17/69/1343011769.db2.gz AKECEMYLERJSPN-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001035198033 1343011774 /nfs/dbraw/zinc/01/17/74/1343011774.db2.gz AKECEMYLERJSPN-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001035198033 1343011777 /nfs/dbraw/zinc/01/17/77/1343011777.db2.gz AKECEMYLERJSPN-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1[NH2+]CCC1CC1 ZINC001036097010 1343312020 /nfs/dbraw/zinc/31/20/20/1343312020.db2.gz QXBYLQIYSFPLJR-QFBILLFUSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001036099118 1343312943 /nfs/dbraw/zinc/31/29/43/1343312943.db2.gz XLWVYTNSUYVUDE-AEFFLSMTSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001036183868 1343351128 /nfs/dbraw/zinc/35/11/28/1343351128.db2.gz VEPSIEDJPLLOQI-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001036418899 1343474941 /nfs/dbraw/zinc/47/49/41/1343474941.db2.gz GVMSYKUUGCVBSW-IRXDYDNUSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036859088 1343793089 /nfs/dbraw/zinc/79/30/89/1343793089.db2.gz KBNVBFHSEWQDQU-UXHICEINSA-N 2 1 349.563 3.076 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CCCC1CCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038353688 1344394536 /nfs/dbraw/zinc/39/45/36/1344394536.db2.gz OMKCMIJOOXEALS-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CCCC1CCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038353688 1344394540 /nfs/dbraw/zinc/39/45/40/1344394540.db2.gz OMKCMIJOOXEALS-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CCCC1CCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038353688 1344394544 /nfs/dbraw/zinc/39/45/44/1344394544.db2.gz OMKCMIJOOXEALS-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H]2CNC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC001038518644 1344463206 /nfs/dbraw/zinc/46/32/06/1344463206.db2.gz FAZLXCJJZBMMKY-OXQOHEQNSA-N 2 1 348.450 3.208 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038622002 1344509015 /nfs/dbraw/zinc/50/90/15/1344509015.db2.gz LQKPIPBEBYTSIN-MOPGFXCFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038622002 1344509019 /nfs/dbraw/zinc/50/90/19/1344509019.db2.gz LQKPIPBEBYTSIN-MOPGFXCFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001038622002 1344509022 /nfs/dbraw/zinc/50/90/22/1344509022.db2.gz LQKPIPBEBYTSIN-MOPGFXCFSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCC2CCCCC2)C1 ZINC001038625930 1344510201 /nfs/dbraw/zinc/51/02/01/1344510201.db2.gz SVSNDDSGHKQIBR-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCC2CCCCC2)C1 ZINC001038625930 1344510204 /nfs/dbraw/zinc/51/02/04/1344510204.db2.gz SVSNDDSGHKQIBR-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCC2CCCCC2)C1 ZINC001038625930 1344510207 /nfs/dbraw/zinc/51/02/07/1344510207.db2.gz SVSNDDSGHKQIBR-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCC1 ZINC001038783399 1344582174 /nfs/dbraw/zinc/58/21/74/1344582174.db2.gz WYWIGMLYWJMFDM-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCC1 ZINC001038783399 1344582176 /nfs/dbraw/zinc/58/21/76/1344582176.db2.gz WYWIGMLYWJMFDM-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCCC1CCC1 ZINC001038783399 1344582179 /nfs/dbraw/zinc/58/21/79/1344582179.db2.gz WYWIGMLYWJMFDM-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001038782910 1344582914 /nfs/dbraw/zinc/58/29/14/1344582914.db2.gz VOLUPZGBRIRNLG-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001038782910 1344582916 /nfs/dbraw/zinc/58/29/16/1344582916.db2.gz VOLUPZGBRIRNLG-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001038782910 1344582918 /nfs/dbraw/zinc/58/29/18/1344582918.db2.gz VOLUPZGBRIRNLG-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCC1 ZINC001038908083 1344646295 /nfs/dbraw/zinc/64/62/95/1344646295.db2.gz HNHFDTUJIWLOMI-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCC1 ZINC001038908083 1344646298 /nfs/dbraw/zinc/64/62/98/1344646298.db2.gz HNHFDTUJIWLOMI-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCCC1CCC1 ZINC001038908083 1344646301 /nfs/dbraw/zinc/64/63/01/1344646301.db2.gz HNHFDTUJIWLOMI-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+]2CC2CCCCC2)c1 ZINC001039040309 1344728054 /nfs/dbraw/zinc/72/80/54/1344728054.db2.gz QTBKMFCGXXPYLI-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137470 1344817472 /nfs/dbraw/zinc/81/74/72/1344817472.db2.gz HFZBQNHMFKSYCQ-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039137470 1344817477 /nfs/dbraw/zinc/81/74/77/1344817477.db2.gz HFZBQNHMFKSYCQ-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039137470 1344817479 /nfs/dbraw/zinc/81/74/79/1344817479.db2.gz HFZBQNHMFKSYCQ-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039156788 1344841902 /nfs/dbraw/zinc/84/19/02/1344841902.db2.gz WFTCYJYVYALMPF-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039156787 1344842042 /nfs/dbraw/zinc/84/20/42/1344842042.db2.gz WFTCYJYVYALMPF-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167053 1344852647 /nfs/dbraw/zinc/85/26/47/1344852647.db2.gz KXEFQRPPAJDTPM-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039216649 1344933546 /nfs/dbraw/zinc/93/35/46/1344933546.db2.gz CEKDJKGRCQDADS-PKOBYXMFSA-N 2 1 340.471 3.061 20 0 EGADMP CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039233832 1344954400 /nfs/dbraw/zinc/95/44/00/1344954400.db2.gz FIUZCWXOGFHXCO-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001039233832 1344954401 /nfs/dbraw/zinc/95/44/01/1344954401.db2.gz FIUZCWXOGFHXCO-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001039397473 1345045048 /nfs/dbraw/zinc/04/50/48/1345045048.db2.gz JQYUIWMVWPQYMQ-MOPGFXCFSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001039397473 1345045051 /nfs/dbraw/zinc/04/50/51/1345045051.db2.gz JQYUIWMVWPQYMQ-MOPGFXCFSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001039397473 1345045054 /nfs/dbraw/zinc/04/50/54/1345045054.db2.gz JQYUIWMVWPQYMQ-MOPGFXCFSA-N 2 1 349.563 3.361 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1C ZINC001039397617 1345045113 /nfs/dbraw/zinc/04/51/13/1345045113.db2.gz QOOXWXTWKRMIIQ-AEFFLSMTSA-N 2 1 340.471 3.122 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001039435072 1345066459 /nfs/dbraw/zinc/06/64/59/1345066459.db2.gz SVCXHTWUQKCFHJ-MSOLQXFVSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001039435072 1345066461 /nfs/dbraw/zinc/06/64/61/1345066461.db2.gz SVCXHTWUQKCFHJ-MSOLQXFVSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001039435072 1345066464 /nfs/dbraw/zinc/06/64/64/1345066464.db2.gz SVCXHTWUQKCFHJ-MSOLQXFVSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](CC1CC1)C1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001039486742 1345105358 /nfs/dbraw/zinc/10/53/58/1345105358.db2.gz QYNJOLLWPTYEDY-UHFFFAOYSA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+](CC1CC1)C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001039486742 1345105361 /nfs/dbraw/zinc/10/53/61/1345105361.db2.gz QYNJOLLWPTYEDY-UHFFFAOYSA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+](CC1CC1)C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001039486742 1345105363 /nfs/dbraw/zinc/10/53/63/1345105363.db2.gz QYNJOLLWPTYEDY-UHFFFAOYSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001039578741 1345145545 /nfs/dbraw/zinc/14/55/45/1345145545.db2.gz AFPTYAODLBSZJM-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001039578741 1345145546 /nfs/dbraw/zinc/14/55/46/1345145546.db2.gz AFPTYAODLBSZJM-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001039578741 1345145547 /nfs/dbraw/zinc/14/55/47/1345145547.db2.gz AFPTYAODLBSZJM-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP C[N@@H+](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CCCC1)C1CCC1 ZINC001039644844 1345152911 /nfs/dbraw/zinc/15/29/11/1345152911.db2.gz YSKLAIBBUNPVQR-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CCCC1)C1CCC1 ZINC001039644844 1345152914 /nfs/dbraw/zinc/15/29/14/1345152914.db2.gz YSKLAIBBUNPVQR-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CCCC1)C1CCC1 ZINC001039644844 1345152918 /nfs/dbraw/zinc/15/29/18/1345152918.db2.gz YSKLAIBBUNPVQR-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040241639 1345391639 /nfs/dbraw/zinc/39/16/39/1345391639.db2.gz QKPBLNRMLPHJQW-CTNGQTDRSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001040241639 1345391643 /nfs/dbraw/zinc/39/16/43/1345391643.db2.gz QKPBLNRMLPHJQW-CTNGQTDRSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001040241639 1345391646 /nfs/dbraw/zinc/39/16/46/1345391646.db2.gz QKPBLNRMLPHJQW-CTNGQTDRSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040243780 1345393388 /nfs/dbraw/zinc/39/33/88/1345393388.db2.gz AXGKITLOFLSSAB-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040243780 1345393389 /nfs/dbraw/zinc/39/33/89/1345393389.db2.gz AXGKITLOFLSSAB-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001040243780 1345393391 /nfs/dbraw/zinc/39/33/91/1345393391.db2.gz AXGKITLOFLSSAB-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC(C)(C)C)C3)CC1 ZINC001040369535 1345459440 /nfs/dbraw/zinc/45/94/40/1345459440.db2.gz QFZJFZGMHGBENP-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@]3(C2)CCC[NH+](CCC(C)(C)C)C3)C1 ZINC001040396970 1345475475 /nfs/dbraw/zinc/47/54/75/1345475475.db2.gz XHXXKDRKTQTSPS-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC(C)(C)C)C3)C1 ZINC001040396970 1345475476 /nfs/dbraw/zinc/47/54/76/1345475476.db2.gz XHXXKDRKTQTSPS-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC(C)(C)C)C3)C1 ZINC001040396970 1345475477 /nfs/dbraw/zinc/47/54/77/1345475477.db2.gz XHXXKDRKTQTSPS-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C(C)C)C2 ZINC001040433862 1345496772 /nfs/dbraw/zinc/49/67/72/1345496772.db2.gz ZXDPZZQLQSSRRO-FQEVSTJZSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040433862 1345496774 /nfs/dbraw/zinc/49/67/74/1345496774.db2.gz ZXDPZZQLQSSRRO-FQEVSTJZSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC(C)C)CC2 ZINC001040757728 1345575704 /nfs/dbraw/zinc/57/57/04/1345575704.db2.gz YLJPADQAXMVEKN-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C(C)C)CC2 ZINC001040912505 1345598828 /nfs/dbraw/zinc/59/88/28/1345598828.db2.gz PATWBMPJQDXPDJ-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041288575 1345694859 /nfs/dbraw/zinc/69/48/59/1345694859.db2.gz YFMBZGOIFBFXBY-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041340069 1345705326 /nfs/dbraw/zinc/70/53/26/1345705326.db2.gz SDEIQRQVXYVGLK-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001041340069 1345705331 /nfs/dbraw/zinc/70/53/31/1345705331.db2.gz SDEIQRQVXYVGLK-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001041340069 1345705333 /nfs/dbraw/zinc/70/53/33/1345705333.db2.gz SDEIQRQVXYVGLK-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041340066 1345705613 /nfs/dbraw/zinc/70/56/13/1345705613.db2.gz SDEIQRQVXYVGLK-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001041340066 1345705615 /nfs/dbraw/zinc/70/56/15/1345705615.db2.gz SDEIQRQVXYVGLK-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001041340066 1345705617 /nfs/dbraw/zinc/70/56/17/1345705617.db2.gz SDEIQRQVXYVGLK-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357360 1345708526 /nfs/dbraw/zinc/70/85/26/1345708526.db2.gz GVBJKXMOEGNNII-CTNGQTDRSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041357360 1345708529 /nfs/dbraw/zinc/70/85/29/1345708529.db2.gz GVBJKXMOEGNNII-CTNGQTDRSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001041357360 1345708532 /nfs/dbraw/zinc/70/85/32/1345708532.db2.gz GVBJKXMOEGNNII-CTNGQTDRSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC(C)C)C2)C1 ZINC001041781982 1345847906 /nfs/dbraw/zinc/84/79/06/1345847906.db2.gz NRFNLIYARMSYHK-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001041781982 1345847907 /nfs/dbraw/zinc/84/79/07/1345847907.db2.gz NRFNLIYARMSYHK-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001041781982 1345847908 /nfs/dbraw/zinc/84/79/08/1345847908.db2.gz NRFNLIYARMSYHK-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CCC(C)(C)C)[C@@H]3C2)CC1 ZINC001042287137 1346017954 /nfs/dbraw/zinc/01/79/54/1346017954.db2.gz GDTWYNIJWDDFMO-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001042715420 1346109497 /nfs/dbraw/zinc/10/94/97/1346109497.db2.gz YDMWIACGECXCJN-FXAWDEMLSA-N 2 1 343.515 3.071 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001042715420 1346109499 /nfs/dbraw/zinc/10/94/99/1346109499.db2.gz YDMWIACGECXCJN-FXAWDEMLSA-N 2 1 343.515 3.071 20 0 EGADMP CN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1C[NH+](CCCC2CCCC2)C1 ZINC001043073295 1346137002 /nfs/dbraw/zinc/13/70/02/1346137002.db2.gz KWNCJSSYYLUIIT-ICSRJNTNSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1C[NH+](CCCC2CCCC2)C1 ZINC001043073295 1346137003 /nfs/dbraw/zinc/13/70/03/1346137003.db2.gz KWNCJSSYYLUIIT-ICSRJNTNSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[NH+]2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001043884893 1346218639 /nfs/dbraw/zinc/21/86/39/1346218639.db2.gz GYDQXZLLMRYMGB-MSOLQXFVSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[NH+]2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001043884893 1346218642 /nfs/dbraw/zinc/21/86/42/1346218642.db2.gz GYDQXZLLMRYMGB-MSOLQXFVSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001044742543 1346418464 /nfs/dbraw/zinc/41/84/64/1346418464.db2.gz HXEUSHQVSQNXKU-PKOBYXMFSA-N 2 1 347.547 3.188 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045092953 1346493560 /nfs/dbraw/zinc/49/35/60/1346493560.db2.gz IFFWBJCPFVVDSK-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CC(C)(C)C2)C1 ZINC001045165091 1346512778 /nfs/dbraw/zinc/51/27/78/1346512778.db2.gz ZNAOGIONVQNHHX-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](CCCC3CCC3)CC2)CC[N@H+]1C ZINC001045444401 1346594989 /nfs/dbraw/zinc/59/49/89/1346594989.db2.gz MKLSVTFFSIBAMF-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2(C)CC[NH+](C[C@H](C)CC)CC2)C1 ZINC001045531472 1346619281 /nfs/dbraw/zinc/61/92/81/1346619281.db2.gz JUDSUPLYRWCYOX-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@]2(CC[NH+](CC(C)C)C2)C1 ZINC001045942057 1346777966 /nfs/dbraw/zinc/77/79/66/1346777966.db2.gz QQEDSLCNGBGSDU-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001045942057 1346777967 /nfs/dbraw/zinc/77/79/67/1346777967.db2.gz QQEDSLCNGBGSDU-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001045942057 1346777971 /nfs/dbraw/zinc/77/79/71/1346777971.db2.gz QQEDSLCNGBGSDU-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001045943051 1346778221 /nfs/dbraw/zinc/77/82/21/1346778221.db2.gz FRSCJGHJXCXRNI-TZIWHRDSSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001045943051 1346778224 /nfs/dbraw/zinc/77/82/24/1346778224.db2.gz FRSCJGHJXCXRNI-TZIWHRDSSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001045943051 1346778225 /nfs/dbraw/zinc/77/82/25/1346778225.db2.gz FRSCJGHJXCXRNI-TZIWHRDSSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001045943072 1346778653 /nfs/dbraw/zinc/77/86/53/1346778653.db2.gz FYNXIWRUUKPRHL-NRFANRHFSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943072 1346778656 /nfs/dbraw/zinc/77/86/56/1346778656.db2.gz FYNXIWRUUKPRHL-NRFANRHFSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943072 1346778657 /nfs/dbraw/zinc/77/86/57/1346778657.db2.gz FYNXIWRUUKPRHL-NRFANRHFSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045944217 1346779841 /nfs/dbraw/zinc/77/98/41/1346779841.db2.gz ZZCTWXOBPHPSOK-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045944217 1346779843 /nfs/dbraw/zinc/77/98/43/1346779843.db2.gz ZZCTWXOBPHPSOK-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001045944217 1346779846 /nfs/dbraw/zinc/77/98/46/1346779846.db2.gz ZZCTWXOBPHPSOK-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001045974058 1346810313 /nfs/dbraw/zinc/81/03/13/1346810313.db2.gz XCSRWLYRUWWXJX-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001045986068 1346827123 /nfs/dbraw/zinc/82/71/23/1346827123.db2.gz GNVCUFWLHUYNIL-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CCC2CCCC2)C1 ZINC001046316060 1346932204 /nfs/dbraw/zinc/93/22/04/1346932204.db2.gz NDOAECRLWMJSJK-QUCCMNQESA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CCC2CCCC2)C1 ZINC001046316060 1346932205 /nfs/dbraw/zinc/93/22/05/1346932205.db2.gz NDOAECRLWMJSJK-QUCCMNQESA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCC2CCCC2)C1 ZINC001046316060 1346932206 /nfs/dbraw/zinc/93/22/06/1346932206.db2.gz NDOAECRLWMJSJK-QUCCMNQESA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CC=C(C)C)C2)o1 ZINC001046864273 1347136664 /nfs/dbraw/zinc/13/66/64/1347136664.db2.gz QYRDKNCOBGJAHL-HXUWFJFHSA-N 2 1 347.503 3.282 20 0 EGADMP CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001047240952 1347266901 /nfs/dbraw/zinc/26/69/01/1347266901.db2.gz LYMCNXBYNXJZDA-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048527581 1347578643 /nfs/dbraw/zinc/57/86/43/1347578643.db2.gz MHNJXYWCZAKHQD-XIKSMUEASA-N 2 1 349.563 3.122 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001048527581 1347578646 /nfs/dbraw/zinc/57/86/46/1347578646.db2.gz MHNJXYWCZAKHQD-XIKSMUEASA-N 2 1 349.563 3.122 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001048527581 1347578647 /nfs/dbraw/zinc/57/86/47/1347578647.db2.gz MHNJXYWCZAKHQD-XIKSMUEASA-N 2 1 349.563 3.122 20 0 EGADMP Cc1c(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc2c[nH+]cn21 ZINC001048539993 1347584344 /nfs/dbraw/zinc/58/43/44/1347584344.db2.gz WAUXPYYJRAMYPM-BJWYYQGGSA-N 2 1 340.471 3.024 20 0 EGADMP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001048556441 1347591797 /nfs/dbraw/zinc/59/17/97/1347591797.db2.gz HCJRNWASKLECLY-SIRBJWHBSA-N 2 1 349.563 3.122 20 0 EGADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001048556441 1347591798 /nfs/dbraw/zinc/59/17/98/1347591798.db2.gz HCJRNWASKLECLY-SIRBJWHBSA-N 2 1 349.563 3.122 20 0 EGADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001048556441 1347591800 /nfs/dbraw/zinc/59/18/00/1347591800.db2.gz HCJRNWASKLECLY-SIRBJWHBSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001048572462 1347598659 /nfs/dbraw/zinc/59/86/59/1347598659.db2.gz IXVSKYOJNFQMLA-RDGPPVDQSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001048572462 1347598661 /nfs/dbraw/zinc/59/86/61/1347598661.db2.gz IXVSKYOJNFQMLA-RDGPPVDQSA-N 2 1 335.536 3.017 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC=C(C)C ZINC001048589983 1347609279 /nfs/dbraw/zinc/60/92/79/1347609279.db2.gz GRYZTBONPSWTTB-IYWMVGAKSA-N 2 1 347.547 3.186 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C ZINC001048589983 1347609282 /nfs/dbraw/zinc/60/92/82/1347609282.db2.gz GRYZTBONPSWTTB-IYWMVGAKSA-N 2 1 347.547 3.186 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001048589983 1347609283 /nfs/dbraw/zinc/60/92/83/1347609283.db2.gz GRYZTBONPSWTTB-IYWMVGAKSA-N 2 1 347.547 3.186 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001048820100 1347665088 /nfs/dbraw/zinc/66/50/88/1347665088.db2.gz CDWSWCIGOPGYPA-KDURUIRLSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCCCC1 ZINC001049370614 1347808622 /nfs/dbraw/zinc/80/86/22/1347808622.db2.gz XFLJJWIJJCZMLP-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCCCC1 ZINC001049370614 1347808626 /nfs/dbraw/zinc/80/86/26/1347808626.db2.gz XFLJJWIJJCZMLP-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCCCC1 ZINC001049370614 1347808630 /nfs/dbraw/zinc/80/86/30/1347808630.db2.gz XFLJJWIJJCZMLP-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC001049462778 1347860825 /nfs/dbraw/zinc/86/08/25/1347860825.db2.gz CAFTWOQBPIAWJH-VAMGGRTRSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCC1 ZINC001049462778 1347860827 /nfs/dbraw/zinc/86/08/27/1347860827.db2.gz CAFTWOQBPIAWJH-VAMGGRTRSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCC1 ZINC001049462778 1347860829 /nfs/dbraw/zinc/86/08/29/1347860829.db2.gz CAFTWOQBPIAWJH-VAMGGRTRSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC001049466125 1347861573 /nfs/dbraw/zinc/86/15/73/1347861573.db2.gz ZNBWNHZZXBUPSQ-IPMKNSEASA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049466125 1347861575 /nfs/dbraw/zinc/86/15/75/1347861575.db2.gz ZNBWNHZZXBUPSQ-IPMKNSEASA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC(C)(C)C ZINC001049466125 1347861576 /nfs/dbraw/zinc/86/15/76/1347861576.db2.gz ZNBWNHZZXBUPSQ-IPMKNSEASA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049476096 1347868217 /nfs/dbraw/zinc/86/82/17/1347868217.db2.gz CARLRVTZSAMFAY-RTBURBONSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1=CCCCC1)C1CCC1 ZINC001049514511 1347886958 /nfs/dbraw/zinc/88/69/58/1347886958.db2.gz GHMQNPCKMALMHD-VQTJNVASSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1=CCCCC1)C1CCC1 ZINC001049514511 1347886960 /nfs/dbraw/zinc/88/69/60/1347886960.db2.gz GHMQNPCKMALMHD-VQTJNVASSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1=CCCCC1)C1CCC1 ZINC001049514511 1347886962 /nfs/dbraw/zinc/88/69/62/1347886962.db2.gz GHMQNPCKMALMHD-VQTJNVASSA-N 2 1 345.531 3.036 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049519715 1347889239 /nfs/dbraw/zinc/88/92/39/1347889239.db2.gz ASHROUMEYGHLQA-GBESFXJTSA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001049519715 1347889241 /nfs/dbraw/zinc/88/92/41/1347889241.db2.gz ASHROUMEYGHLQA-GBESFXJTSA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001049519715 1347889243 /nfs/dbraw/zinc/88/92/43/1347889243.db2.gz ASHROUMEYGHLQA-GBESFXJTSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001049534977 1347896186 /nfs/dbraw/zinc/89/61/86/1347896186.db2.gz XURMQOPRIRGFCA-QRVBRYPASA-N 2 1 349.563 3.074 20 0 EGADMP CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563197 1347910875 /nfs/dbraw/zinc/91/08/75/1347910875.db2.gz CXQUAKQMACYNHC-ROUUACIJSA-N 2 1 335.536 3.115 20 0 EGADMP CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049563197 1347910878 /nfs/dbraw/zinc/91/08/78/1347910878.db2.gz CXQUAKQMACYNHC-ROUUACIJSA-N 2 1 335.536 3.115 20 0 EGADMP CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563197 1347910879 /nfs/dbraw/zinc/91/08/79/1347910879.db2.gz CXQUAKQMACYNHC-ROUUACIJSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049565060 1347913167 /nfs/dbraw/zinc/91/31/67/1347913167.db2.gz SEIATEKAGFJQFM-RTBURBONSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049565060 1347913169 /nfs/dbraw/zinc/91/31/69/1347913169.db2.gz SEIATEKAGFJQFM-RTBURBONSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049565060 1347913170 /nfs/dbraw/zinc/91/31/70/1347913170.db2.gz SEIATEKAGFJQFM-RTBURBONSA-N 2 1 349.563 3.361 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC1CCC1 ZINC001049654512 1347957450 /nfs/dbraw/zinc/95/74/50/1347957450.db2.gz JGFQTXNZTMZMFH-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC1CCC1 ZINC001049654512 1347957453 /nfs/dbraw/zinc/95/74/53/1347957453.db2.gz JGFQTXNZTMZMFH-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCC1CCC1 ZINC001049654512 1347957455 /nfs/dbraw/zinc/95/74/55/1347957455.db2.gz JGFQTXNZTMZMFH-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCC1 ZINC001049760688 1348005507 /nfs/dbraw/zinc/00/55/07/1348005507.db2.gz BAQHJICMLXIOAG-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCC1 ZINC001049760688 1348005510 /nfs/dbraw/zinc/00/55/10/1348005510.db2.gz BAQHJICMLXIOAG-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCC1 ZINC001049760688 1348005512 /nfs/dbraw/zinc/00/55/12/1348005512.db2.gz BAQHJICMLXIOAG-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCC(C)(C)C)CC1 ZINC001049804692 1348027841 /nfs/dbraw/zinc/02/78/41/1348027841.db2.gz HLDBYURNMQSYSH-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049912859 1348108353 /nfs/dbraw/zinc/10/83/53/1348108353.db2.gz PHQIVNDSOHYXOS-VQTJNVASSA-N 2 1 343.515 3.227 20 0 EGADMP CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049915548 1348109971 /nfs/dbraw/zinc/10/99/71/1348109971.db2.gz VYYBFPPBUXHDPH-ZCNNSNEGSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049915548 1348109972 /nfs/dbraw/zinc/10/99/72/1348109972.db2.gz VYYBFPPBUXHDPH-ZCNNSNEGSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049915617 1348110099 /nfs/dbraw/zinc/11/00/99/1348110099.db2.gz XLTZCJYWGXAKME-XUVXKRRUSA-N 2 1 347.547 3.138 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079850395 1357400606 /nfs/dbraw/zinc/40/06/06/1357400606.db2.gz LUBQQCLMXFSNQM-NSISKUIASA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001079850395 1357400607 /nfs/dbraw/zinc/40/06/07/1357400607.db2.gz LUBQQCLMXFSNQM-NSISKUIASA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001079850395 1357400609 /nfs/dbraw/zinc/40/06/09/1357400609.db2.gz LUBQQCLMXFSNQM-NSISKUIASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446999 1348543775 /nfs/dbraw/zinc/54/37/75/1348543775.db2.gz VHDPRXXWPDNZJO-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052446999 1348543778 /nfs/dbraw/zinc/54/37/78/1348543778.db2.gz VHDPRXXWPDNZJO-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052446999 1348543780 /nfs/dbraw/zinc/54/37/80/1348543780.db2.gz VHDPRXXWPDNZJO-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447946 1348544304 /nfs/dbraw/zinc/54/43/04/1348544304.db2.gz QKYJLQRSXFYOJB-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052447946 1348544307 /nfs/dbraw/zinc/54/43/07/1348544307.db2.gz QKYJLQRSXFYOJB-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052447946 1348544309 /nfs/dbraw/zinc/54/43/09/1348544309.db2.gz QKYJLQRSXFYOJB-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC001052499313 1348559939 /nfs/dbraw/zinc/55/99/39/1348559939.db2.gz SWRCNBCWGONICG-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001052499313 1348559942 /nfs/dbraw/zinc/55/99/42/1348559942.db2.gz SWRCNBCWGONICG-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001052499313 1348559943 /nfs/dbraw/zinc/55/99/43/1348559943.db2.gz SWRCNBCWGONICG-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052507215 1348562179 /nfs/dbraw/zinc/56/21/79/1348562179.db2.gz SZTCDXHWLQRQGE-KRWDZBQOSA-N 2 1 340.471 3.193 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052590538 1348588510 /nfs/dbraw/zinc/58/85/10/1348588510.db2.gz CINAYNQOPQZETH-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](CC3CCCC3)CC2)C1 ZINC001052651348 1348613605 /nfs/dbraw/zinc/61/36/05/1348613605.db2.gz GNOONDWCJKVGBG-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@H+](CC3CCCC3)CC2)C1 ZINC001052651348 1348613607 /nfs/dbraw/zinc/61/36/07/1348613607.db2.gz GNOONDWCJKVGBG-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC3CCCC3)CC2)C1 ZINC001052651348 1348613610 /nfs/dbraw/zinc/61/36/10/1348613610.db2.gz GNOONDWCJKVGBG-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCC3CCC3)CC2)CC[N@H+]1C ZINC001052658379 1348617208 /nfs/dbraw/zinc/61/72/08/1348617208.db2.gz LURKIPKLNDNNQS-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCCC3CCC3)CC2)CC[NH+]1C ZINC001052658379 1348617210 /nfs/dbraw/zinc/61/72/10/1348617210.db2.gz LURKIPKLNDNNQS-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCCC3CCC3)CC2)CC[NH+]1C ZINC001052658379 1348617213 /nfs/dbraw/zinc/61/72/13/1348617213.db2.gz LURKIPKLNDNNQS-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052708554 1348643472 /nfs/dbraw/zinc/64/34/72/1348643472.db2.gz CYVSSCHSFJGIKN-HXUWFJFHSA-N 2 1 345.531 3.175 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001052715272 1348645691 /nfs/dbraw/zinc/64/56/91/1348645691.db2.gz BTVVCFHYLBSYGB-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001052715272 1348645693 /nfs/dbraw/zinc/64/56/93/1348645693.db2.gz BTVVCFHYLBSYGB-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001052715272 1348645696 /nfs/dbraw/zinc/64/56/96/1348645696.db2.gz BTVVCFHYLBSYGB-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052787041 1348679706 /nfs/dbraw/zinc/67/97/06/1348679706.db2.gz HEZWLBWXNSXSTO-IBGZPJMESA-N 2 1 331.504 3.133 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001052868895 1348709901 /nfs/dbraw/zinc/70/99/01/1348709901.db2.gz YLYGDXKFVWXWFT-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@H+](CCC3=CCCCC3)CC2)C1 ZINC001052868895 1348709903 /nfs/dbraw/zinc/70/99/03/1348709903.db2.gz YLYGDXKFVWXWFT-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@@H+](CCC3=CCCCC3)CC2)C1 ZINC001052868895 1348709905 /nfs/dbraw/zinc/70/99/05/1348709905.db2.gz YLYGDXKFVWXWFT-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CC[C@H](F)C[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052954965 1348768309 /nfs/dbraw/zinc/76/83/09/1348768309.db2.gz XKDUMRMMPJVQSY-OALUTQOASA-N 2 1 349.494 3.081 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C(C)C)CC2)o1 ZINC001052968092 1348778773 /nfs/dbraw/zinc/77/87/73/1348778773.db2.gz UCHATFIZTBDDLT-INIZCTEOSA-N 2 1 335.492 3.114 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029840 1348829096 /nfs/dbraw/zinc/82/90/96/1348829096.db2.gz WUHIFEMBQSWELY-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053092113 1348918335 /nfs/dbraw/zinc/91/83/35/1348918335.db2.gz QEWHYIHILFRBOB-RTBURBONSA-N 2 1 346.519 3.085 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001053092113 1348918339 /nfs/dbraw/zinc/91/83/39/1348918339.db2.gz QEWHYIHILFRBOB-RTBURBONSA-N 2 1 346.519 3.085 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096719 1348927076 /nfs/dbraw/zinc/92/70/76/1348927076.db2.gz YPJATHPPOHWFSU-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053100199 1348933006 /nfs/dbraw/zinc/93/30/06/1348933006.db2.gz FERYQIJPRNDKTK-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174424 1349175595 /nfs/dbraw/zinc/17/55/95/1349175595.db2.gz OZHGRJCAECQDST-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197749 1349200821 /nfs/dbraw/zinc/20/08/21/1349200821.db2.gz HSBBIGPUKYFZKY-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001054197749 1349200826 /nfs/dbraw/zinc/20/08/26/1349200826.db2.gz HSBBIGPUKYFZKY-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001054197749 1349200827 /nfs/dbraw/zinc/20/08/27/1349200827.db2.gz HSBBIGPUKYFZKY-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054199083 1349201392 /nfs/dbraw/zinc/20/13/92/1349201392.db2.gz MRLOTAKHFYAFEW-ICSRJNTNSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001054209511 1349210809 /nfs/dbraw/zinc/21/08/09/1349210809.db2.gz RPFPRQHCBCLDAK-FQEVSTJZSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001054209511 1349210811 /nfs/dbraw/zinc/21/08/11/1349210811.db2.gz RPFPRQHCBCLDAK-FQEVSTJZSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246160 1349240220 /nfs/dbraw/zinc/24/02/20/1349240220.db2.gz OZKJCLKZOVTQHZ-TZIWHRDSSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246160 1349240224 /nfs/dbraw/zinc/24/02/24/1349240224.db2.gz OZKJCLKZOVTQHZ-TZIWHRDSSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[C@H]4CCCC[NH+]43)cc2C1 ZINC001054269582 1349267874 /nfs/dbraw/zinc/26/78/74/1349267874.db2.gz FVOZIYWSOGBWEC-WOJBJXKFSA-N 2 1 341.499 3.045 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)cc2C1 ZINC001054269582 1349267878 /nfs/dbraw/zinc/26/78/78/1349267878.db2.gz FVOZIYWSOGBWEC-WOJBJXKFSA-N 2 1 341.499 3.045 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)cc2C1 ZINC001054269582 1349267879 /nfs/dbraw/zinc/26/78/79/1349267879.db2.gz FVOZIYWSOGBWEC-WOJBJXKFSA-N 2 1 341.499 3.045 20 0 EGADMP CC(C)[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)cc2C1 ZINC001054285310 1349287501 /nfs/dbraw/zinc/28/75/01/1349287501.db2.gz CQNYWBVFZXWKMN-PMACEKPBSA-N 2 1 341.499 3.044 20 0 EGADMP CC(C)[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)cc2C1 ZINC001054285310 1349287505 /nfs/dbraw/zinc/28/75/05/1349287505.db2.gz CQNYWBVFZXWKMN-PMACEKPBSA-N 2 1 341.499 3.044 20 0 EGADMP CC(C)[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)cc2C1 ZINC001054285310 1349287507 /nfs/dbraw/zinc/28/75/07/1349287507.db2.gz CQNYWBVFZXWKMN-PMACEKPBSA-N 2 1 341.499 3.044 20 0 EGADMP C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1[NH2+]CC1CCCC1 ZINC001054823359 1349479161 /nfs/dbraw/zinc/47/91/61/1349479161.db2.gz LHANSDPMYPMBFJ-LPHOPBHVSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001080329758 1357574841 /nfs/dbraw/zinc/57/48/41/1357574841.db2.gz OMOSTJIKLOVFHV-LCLWPZTBSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001080329758 1357574842 /nfs/dbraw/zinc/57/48/42/1357574842.db2.gz OMOSTJIKLOVFHV-LCLWPZTBSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001080329758 1357574843 /nfs/dbraw/zinc/57/48/43/1357574843.db2.gz OMOSTJIKLOVFHV-LCLWPZTBSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080442947 1357622433 /nfs/dbraw/zinc/62/24/33/1357622433.db2.gz UHAQHOYGZMXWNH-WSTZPKSXSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001080442947 1357622436 /nfs/dbraw/zinc/62/24/36/1357622436.db2.gz UHAQHOYGZMXWNH-WSTZPKSXSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001080442947 1357622438 /nfs/dbraw/zinc/62/24/38/1357622438.db2.gz UHAQHOYGZMXWNH-WSTZPKSXSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080559144 1357678766 /nfs/dbraw/zinc/67/87/66/1357678766.db2.gz XASJCKQHPJQHEX-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@H+]1CC1CCC1 ZINC001071508464 1354733903 /nfs/dbraw/zinc/73/39/03/1354733903.db2.gz OKPXWQYIXQKENE-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CCC1CCCC1 ZINC001071872663 1354998265 /nfs/dbraw/zinc/99/82/65/1354998265.db2.gz PJRPVIBETCACGA-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001089736057 1360641421 /nfs/dbraw/zinc/64/14/21/1360641421.db2.gz UCMOHNFHGHSASO-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H](C)c2ccccc2)C1 ZINC001183228658 1387282599 /nfs/dbraw/zinc/28/25/99/1387282599.db2.gz OUEVKLLWIYRNTG-LVCYWYKZSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC(C)C)C1 ZINC001183221707 1387282072 /nfs/dbraw/zinc/28/20/72/1387282072.db2.gz YKRKMJJRWDUJLO-UYAOXDASSA-N 2 1 339.568 3.229 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CCC2)CC1 ZINC001074089028 1356076246 /nfs/dbraw/zinc/07/62/46/1356076246.db2.gz OSCHDKQAPMMSAF-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001074687826 1356224532 /nfs/dbraw/zinc/22/45/32/1356224532.db2.gz VQGJVOKAYCJOFM-UWVAXJGDSA-N 2 1 343.515 3.119 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)[C@@H]1C ZINC001074686151 1356224541 /nfs/dbraw/zinc/22/45/41/1356224541.db2.gz SCZFWHWHVXNRPJ-JQHSSLGASA-N 2 1 349.544 3.090 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CC3CCC(C)(C)CC3)[C@@H]2C)C1 ZINC001074878368 1356276880 /nfs/dbraw/zinc/27/68/80/1356276880.db2.gz PPOGZTFFDUKYMI-AOIWGVFYSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001099098377 1363621139 /nfs/dbraw/zinc/62/11/39/1363621139.db2.gz OMBSIQLOPLJAFN-SJORKVTESA-N 2 1 343.531 3.073 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001082596585 1358065458 /nfs/dbraw/zinc/06/54/58/1358065458.db2.gz QNISZMMJTSDVTB-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001082861902 1358099710 /nfs/dbraw/zinc/09/97/10/1358099710.db2.gz RXZHKUPIFXKGDE-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2=CCCCC2)C1 ZINC001183516994 1387316270 /nfs/dbraw/zinc/31/62/70/1387316270.db2.gz JINUHDUXMNTWGG-WIYYLYMNSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCC(C)(C)C)C[C@H]32)CC1 ZINC001084751750 1358300873 /nfs/dbraw/zinc/30/08/73/1358300873.db2.gz BCLJRTICVWKPIT-RTBURBONSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC001084939159 1358352017 /nfs/dbraw/zinc/35/20/17/1358352017.db2.gz URFNEMBYANQCOQ-QYZOEREBSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC(C)(C)C)[C@H]2C1 ZINC001084939159 1358352019 /nfs/dbraw/zinc/35/20/19/1358352019.db2.gz URFNEMBYANQCOQ-QYZOEREBSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC(C)(C)C)[C@H]2C1 ZINC001084939159 1358352020 /nfs/dbraw/zinc/35/20/20/1358352020.db2.gz URFNEMBYANQCOQ-QYZOEREBSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085100860 1358390422 /nfs/dbraw/zinc/39/04/22/1358390422.db2.gz HYMYOHZJGNKOOD-AABGKKOBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001085100860 1358390425 /nfs/dbraw/zinc/39/04/25/1358390425.db2.gz HYMYOHZJGNKOOD-AABGKKOBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@@H]21 ZINC001085100860 1358390430 /nfs/dbraw/zinc/39/04/30/1358390430.db2.gz HYMYOHZJGNKOOD-AABGKKOBSA-N 2 1 349.563 3.220 20 0 EGADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001085407445 1358491971 /nfs/dbraw/zinc/49/19/71/1358491971.db2.gz HBEWWTBPXJMLTI-SBHAEUEKSA-N 2 1 347.547 3.070 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085629002 1358646349 /nfs/dbraw/zinc/64/63/49/1358646349.db2.gz JMYLREFEWFRGRF-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001085629002 1358646353 /nfs/dbraw/zinc/64/63/53/1358646353.db2.gz JMYLREFEWFRGRF-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001085629002 1358646359 /nfs/dbraw/zinc/64/63/59/1358646359.db2.gz JMYLREFEWFRGRF-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCCC1CCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001085695960 1358692103 /nfs/dbraw/zinc/69/21/03/1358692103.db2.gz WEWPFZZUYRYBDX-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCC1CCCC1)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699463 1358694465 /nfs/dbraw/zinc/69/44/65/1358694465.db2.gz OMNQXKYQMQUTPG-GOSISDBHSA-N 2 1 340.471 3.061 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085918307 1358878173 /nfs/dbraw/zinc/87/81/73/1358878173.db2.gz ZLUBNRVBKYZDJV-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994168 1358948716 /nfs/dbraw/zinc/94/87/16/1358948716.db2.gz DOXSRADYXWDOSW-IRXDYDNUSA-N 2 1 349.519 3.314 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086133782 1359005290 /nfs/dbraw/zinc/00/52/90/1359005290.db2.gz FVOFFXBPHAVIEK-HSALFYBXSA-N 2 1 347.547 3.092 20 0 EGADMP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001086176856 1359016126 /nfs/dbraw/zinc/01/61/26/1359016126.db2.gz SLYZUPKBDREZMT-WSTZPKSXSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086217024 1359030664 /nfs/dbraw/zinc/03/06/64/1359030664.db2.gz KOLGEXFZRIMWJL-HSALFYBXSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086217072 1359030737 /nfs/dbraw/zinc/03/07/37/1359030737.db2.gz MKYPIDAXQDDJBY-HSALFYBXSA-N 2 1 349.563 3.314 20 0 EGADMP CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001086926015 1359251485 /nfs/dbraw/zinc/25/14/85/1359251485.db2.gz NGBNICPOENNTIR-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086926845 1359251858 /nfs/dbraw/zinc/25/18/58/1359251858.db2.gz LTMFMCJJLMQYEM-RTBURBONSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC001087221817 1359325887 /nfs/dbraw/zinc/32/58/87/1359325887.db2.gz BFYZVVZFEISSLS-SJORKVTESA-N 2 1 334.508 3.022 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[N@H+]1CC1CCCC1 ZINC001087671591 1359582828 /nfs/dbraw/zinc/58/28/28/1359582828.db2.gz GEJRPXQJHTVKGT-ZCNNSNEGSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCC1CCCCC1 ZINC001087711778 1359603675 /nfs/dbraw/zinc/60/36/75/1359603675.db2.gz WVTNFVNJNIFNJS-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CCC1=CCCCC1 ZINC001087726828 1359614234 /nfs/dbraw/zinc/61/42/34/1359614234.db2.gz UIYWLYBVSUFVNN-YSIASYRMSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CCC1=CCCCC1 ZINC001087726828 1359614237 /nfs/dbraw/zinc/61/42/37/1359614237.db2.gz UIYWLYBVSUFVNN-YSIASYRMSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CCC1=CCCCC1 ZINC001087726828 1359614243 /nfs/dbraw/zinc/61/42/43/1359614243.db2.gz UIYWLYBVSUFVNN-YSIASYRMSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@H+]1CCC1=CCCCC1 ZINC001087726226 1359614744 /nfs/dbraw/zinc/61/47/44/1359614744.db2.gz XCRCWZTTZKMQBQ-YZGWKJHDSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC[NH+]1CCC1=CCCCC1 ZINC001087726226 1359614747 /nfs/dbraw/zinc/61/47/47/1359614747.db2.gz XCRCWZTTZKMQBQ-YZGWKJHDSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC[NH+]1CCC1=CCCCC1 ZINC001087726226 1359614749 /nfs/dbraw/zinc/61/47/49/1359614749.db2.gz XCRCWZTTZKMQBQ-YZGWKJHDSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[N@@H+]1CCC(C)(C)C ZINC001087746021 1359624942 /nfs/dbraw/zinc/62/49/42/1359624942.db2.gz AZYRAXDBODOXDP-DLBZAZTESA-N 2 1 348.535 3.412 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[N@H+]1CCC(C)(C)C ZINC001087746021 1359624944 /nfs/dbraw/zinc/62/49/44/1359624944.db2.gz AZYRAXDBODOXDP-DLBZAZTESA-N 2 1 348.535 3.412 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC[N@H+]1CCC1CC1 ZINC001087749262 1359626621 /nfs/dbraw/zinc/62/66/21/1359626621.db2.gz BTEMCIKYFUZNJH-YTQUADARSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CCC1CCCCC1 ZINC001087796682 1359650496 /nfs/dbraw/zinc/65/04/96/1359650496.db2.gz JUIPZYYBNUBBLL-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CCC1CCCCC1 ZINC001087796682 1359650500 /nfs/dbraw/zinc/65/05/00/1359650500.db2.gz JUIPZYYBNUBBLL-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCC1CCCCC1 ZINC001087796682 1359650503 /nfs/dbraw/zinc/65/05/03/1359650503.db2.gz JUIPZYYBNUBBLL-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCC1CCCCCC1 ZINC001087828765 1359666808 /nfs/dbraw/zinc/66/68/08/1359666808.db2.gz VAMCRIBTIYVGSU-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCC1CCCCCC1 ZINC001087828765 1359666810 /nfs/dbraw/zinc/66/68/10/1359666810.db2.gz VAMCRIBTIYVGSU-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCC1CCCCCC1 ZINC001087828765 1359666812 /nfs/dbraw/zinc/66/68/12/1359666812.db2.gz VAMCRIBTIYVGSU-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001087828358 1359666882 /nfs/dbraw/zinc/66/68/82/1359666882.db2.gz JBRYCWSZIJBAQI-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC1CCC(C)(C)CC1 ZINC001087828358 1359666885 /nfs/dbraw/zinc/66/68/85/1359666885.db2.gz JBRYCWSZIJBAQI-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC1CCC(C)(C)CC1 ZINC001087828358 1359666888 /nfs/dbraw/zinc/66/68/88/1359666888.db2.gz JBRYCWSZIJBAQI-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP C[N@@H+](CC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccccc2)C1)C1CCC1 ZINC001088327246 1359831410 /nfs/dbraw/zinc/83/14/10/1359831410.db2.gz ITCYGZPDFRMRAI-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCCCC[C@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001088413373 1359884289 /nfs/dbraw/zinc/88/42/89/1359884289.db2.gz DRUOIMOAQGJAEI-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001088427394 1359895493 /nfs/dbraw/zinc/89/54/93/1359895493.db2.gz UXCJSBAYWKFUKP-LJQANCHMSA-N 2 1 344.503 3.053 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1)c1ccccc1 ZINC001088431014 1359898119 /nfs/dbraw/zinc/89/81/19/1359898119.db2.gz DWRATJKIXPEEFR-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CC1CC(C)(C)C1 ZINC001088567317 1359976904 /nfs/dbraw/zinc/97/69/04/1359976904.db2.gz HATSRACFZIJGKQ-AEFFLSMTSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622274 1359994350 /nfs/dbraw/zinc/99/43/50/1359994350.db2.gz OJHBLYQHXILUEZ-NEWSRXKRSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088622274 1359994351 /nfs/dbraw/zinc/99/43/51/1359994351.db2.gz OJHBLYQHXILUEZ-NEWSRXKRSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088622274 1359994356 /nfs/dbraw/zinc/99/43/56/1359994356.db2.gz OJHBLYQHXILUEZ-NEWSRXKRSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001088666711 1360007530 /nfs/dbraw/zinc/00/75/30/1360007530.db2.gz PDJKVHHLAMBVGG-NEWSRXKRSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001088666711 1360007536 /nfs/dbraw/zinc/00/75/36/1360007536.db2.gz PDJKVHHLAMBVGG-NEWSRXKRSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CC1CCC(C)(C)CC1 ZINC001088666711 1360007540 /nfs/dbraw/zinc/00/75/40/1360007540.db2.gz PDJKVHHLAMBVGG-NEWSRXKRSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CC1CCC(C)(C)CC1 ZINC001088666711 1360007543 /nfs/dbraw/zinc/00/75/43/1360007543.db2.gz PDJKVHHLAMBVGG-NEWSRXKRSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CCC1CCCCCC1 ZINC001088666512 1360007713 /nfs/dbraw/zinc/00/77/13/1360007713.db2.gz JKVQQMLQYPKKCX-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CCC1CCCCCC1 ZINC001088666512 1360007718 /nfs/dbraw/zinc/00/77/18/1360007718.db2.gz JKVQQMLQYPKKCX-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CCC1CCCCCC1 ZINC001088666512 1360007721 /nfs/dbraw/zinc/00/77/21/1360007721.db2.gz JKVQQMLQYPKKCX-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CCC1CCCCCC1 ZINC001088666512 1360007725 /nfs/dbraw/zinc/00/77/25/1360007725.db2.gz JKVQQMLQYPKKCX-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)[C@@H]2C)ccc2c[nH+]cn21 ZINC001088688693 1360013545 /nfs/dbraw/zinc/01/35/45/1360013545.db2.gz ZEXFPLPGYPBLCA-BEFAXECRSA-N 2 1 340.471 3.026 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2=CCCCC2)[C@@H]1C ZINC001088898540 1360097067 /nfs/dbraw/zinc/09/70/67/1360097067.db2.gz JTEKHRULQANUIJ-HOJAQTOUSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)[C@@H]1C ZINC001088898540 1360097076 /nfs/dbraw/zinc/09/70/76/1360097076.db2.gz JTEKHRULQANUIJ-HOJAQTOUSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)[C@@H]1C ZINC001088898540 1360097078 /nfs/dbraw/zinc/09/70/78/1360097078.db2.gz JTEKHRULQANUIJ-HOJAQTOUSA-N 2 1 347.547 3.329 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897428 1360097511 /nfs/dbraw/zinc/09/75/11/1360097511.db2.gz JDGHWKHDXLMOTI-HBFSDRIKSA-N 2 1 347.547 3.330 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088897297 1360097818 /nfs/dbraw/zinc/09/78/18/1360097818.db2.gz CPGNMDKVNLGHHF-AOIWGVFYSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CCCC1CCCC1 ZINC001088939512 1360108874 /nfs/dbraw/zinc/10/88/74/1360108874.db2.gz URNMNIKYOZBCCI-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@H]1C[N@H+](C)C(C)C ZINC001089181220 1360231217 /nfs/dbraw/zinc/23/12/17/1360231217.db2.gz IFNKTJGEJQYYKD-SJORKVTESA-N 2 1 334.508 3.118 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)C(C)C ZINC001089181220 1360231221 /nfs/dbraw/zinc/23/12/21/1360231221.db2.gz IFNKTJGEJQYYKD-SJORKVTESA-N 2 1 334.508 3.118 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089442847 1360432763 /nfs/dbraw/zinc/43/27/63/1360432763.db2.gz VDIFMMZFADTJFS-KRWDZBQOSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089442847 1360432767 /nfs/dbraw/zinc/43/27/67/1360432767.db2.gz VDIFMMZFADTJFS-KRWDZBQOSA-N 2 1 348.535 3.235 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCC)CC(C)(C)C2)C1 ZINC001089472207 1360455369 /nfs/dbraw/zinc/45/53/69/1360455369.db2.gz DPYKHMRLBJCINI-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CCC)CC(C)(C)C2)C1 ZINC001089472207 1360455371 /nfs/dbraw/zinc/45/53/71/1360455371.db2.gz DPYKHMRLBJCINI-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CCC)CC(C)(C)C2)C1 ZINC001089472207 1360455373 /nfs/dbraw/zinc/45/53/73/1360455373.db2.gz DPYKHMRLBJCINI-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CCC)CC(C)(C)C2)C1 ZINC001089472206 1360455811 /nfs/dbraw/zinc/45/58/11/1360455811.db2.gz DPYKHMRLBJCINI-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCC)CC(C)(C)C2)C1 ZINC001089472206 1360455812 /nfs/dbraw/zinc/45/58/12/1360455812.db2.gz DPYKHMRLBJCINI-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCC)CC(C)(C)C2)C1 ZINC001089472206 1360455817 /nfs/dbraw/zinc/45/58/17/1360455817.db2.gz DPYKHMRLBJCINI-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](CC2CCCC2)CC(C)(C)C1 ZINC001089492352 1360470082 /nfs/dbraw/zinc/47/00/82/1360470082.db2.gz HHWQINPZUYQSHV-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)CC(C)(C)C1 ZINC001089492352 1360470083 /nfs/dbraw/zinc/47/00/83/1360470083.db2.gz HHWQINPZUYQSHV-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)CC(C)(C)C1 ZINC001089492352 1360470084 /nfs/dbraw/zinc/47/00/84/1360470084.db2.gz HHWQINPZUYQSHV-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089505887 1360478317 /nfs/dbraw/zinc/47/83/17/1360478317.db2.gz IQHPMGAJHBMQIR-KRWDZBQOSA-N 2 1 348.535 3.413 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089505887 1360478319 /nfs/dbraw/zinc/47/83/19/1360478319.db2.gz IQHPMGAJHBMQIR-KRWDZBQOSA-N 2 1 348.535 3.413 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)CC(C)(C)C1 ZINC001089549387 1360502611 /nfs/dbraw/zinc/50/26/11/1360502611.db2.gz XOHNMEOVRRSXAL-QGZVFWFLSA-N 2 1 348.535 3.304 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCCCC3)CC(C)(C)C2)C1 ZINC001089558579 1360507412 /nfs/dbraw/zinc/50/74/12/1360507412.db2.gz IZKHTWWVFXSZOD-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CCCCC3)CC(C)(C)C2)C1 ZINC001089558579 1360507416 /nfs/dbraw/zinc/50/74/16/1360507416.db2.gz IZKHTWWVFXSZOD-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)CC(C)(C)C2)C1 ZINC001089558579 1360507418 /nfs/dbraw/zinc/50/74/18/1360507418.db2.gz IZKHTWWVFXSZOD-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC=C(C)C)CC(C)(C)C1 ZINC001089564507 1360511580 /nfs/dbraw/zinc/51/15/80/1360511580.db2.gz ARKMNEZYTOKJHI-RBUKOAKNSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC=C(C)C)CC(C)(C)C1 ZINC001089564507 1360511582 /nfs/dbraw/zinc/51/15/82/1360511582.db2.gz ARKMNEZYTOKJHI-RBUKOAKNSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC=C(C)C)CC(C)(C)C1 ZINC001089564507 1360511585 /nfs/dbraw/zinc/51/15/85/1360511585.db2.gz ARKMNEZYTOKJHI-RBUKOAKNSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089638414 1360551869 /nfs/dbraw/zinc/55/18/69/1360551869.db2.gz BQYWOXBECFICDQ-MSOLQXFVSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001089638414 1360551872 /nfs/dbraw/zinc/55/18/72/1360551872.db2.gz BQYWOXBECFICDQ-MSOLQXFVSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001089638414 1360551874 /nfs/dbraw/zinc/55/18/74/1360551874.db2.gz BQYWOXBECFICDQ-MSOLQXFVSA-N 2 1 337.552 3.122 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089705780 1360607971 /nfs/dbraw/zinc/60/79/71/1360607971.db2.gz JJVQDGIEBJPAFZ-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001089705780 1360607974 /nfs/dbraw/zinc/60/79/74/1360607974.db2.gz JJVQDGIEBJPAFZ-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001089705780 1360607978 /nfs/dbraw/zinc/60/79/78/1360607978.db2.gz JJVQDGIEBJPAFZ-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001091267262 1361027091 /nfs/dbraw/zinc/02/70/91/1361027091.db2.gz FZCKMLXHYPGTCR-NKELODKYSA-N 2 1 349.563 3.170 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C[NH2+]CCCC1CCC1 ZINC001184577354 1387496745 /nfs/dbraw/zinc/49/67/45/1387496745.db2.gz LYMFMKPRQLUVNB-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001184577356 1387496926 /nfs/dbraw/zinc/49/69/26/1387496926.db2.gz LYMFMKPRQLUVNB-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCC3CCCCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091780615 1361219248 /nfs/dbraw/zinc/21/92/48/1361219248.db2.gz SJVRGERKXYKAHN-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071535 1361288495 /nfs/dbraw/zinc/28/84/95/1361288495.db2.gz ZLRPHYFFVOXXNJ-ZVDOUQERSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092190621 1361318326 /nfs/dbraw/zinc/31/83/26/1361318326.db2.gz SIXOVCVYYWIOTD-DYXWJJEUSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@]2(C)C1 ZINC001092190621 1361318330 /nfs/dbraw/zinc/31/83/30/1361318330.db2.gz SIXOVCVYYWIOTD-DYXWJJEUSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@]2(C)C1 ZINC001092190621 1361318332 /nfs/dbraw/zinc/31/83/32/1361318332.db2.gz SIXOVCVYYWIOTD-DYXWJJEUSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001184711939 1387517063 /nfs/dbraw/zinc/51/70/63/1387517063.db2.gz IEUCNTGHDHMRHV-UIVAWZFMSA-N 2 1 337.552 3.147 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCC1)CC2 ZINC001094414204 1361791347 /nfs/dbraw/zinc/79/13/47/1361791347.db2.gz WYHHPVXATOXZKE-QKNQBKEWSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2 ZINC001094414204 1361791349 /nfs/dbraw/zinc/79/13/49/1361791349.db2.gz WYHHPVXATOXZKE-QKNQBKEWSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2 ZINC001094414204 1361791351 /nfs/dbraw/zinc/79/13/51/1361791351.db2.gz WYHHPVXATOXZKE-QKNQBKEWSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001095011185 1361988423 /nfs/dbraw/zinc/98/84/23/1361988423.db2.gz XTVWFBQSXVALJO-BZSNNMDCSA-N 2 1 346.519 3.022 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001095533878 1362163777 /nfs/dbraw/zinc/16/37/77/1362163777.db2.gz RMLUGCDMAVGTMT-YRPNKDGESA-N 2 1 349.563 3.407 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001095533878 1362163779 /nfs/dbraw/zinc/16/37/79/1362163779.db2.gz RMLUGCDMAVGTMT-YRPNKDGESA-N 2 1 349.563 3.407 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001095533878 1362163783 /nfs/dbraw/zinc/16/37/83/1362163783.db2.gz RMLUGCDMAVGTMT-YRPNKDGESA-N 2 1 349.563 3.407 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001096608105 1362595108 /nfs/dbraw/zinc/59/51/08/1362595108.db2.gz QIGCYZZDXIYFSG-FYQPLNBISA-N 2 1 345.531 3.083 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001096608105 1362595113 /nfs/dbraw/zinc/59/51/13/1362595113.db2.gz QIGCYZZDXIYFSG-FYQPLNBISA-N 2 1 345.531 3.083 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001096608105 1362595116 /nfs/dbraw/zinc/59/51/16/1362595116.db2.gz QIGCYZZDXIYFSG-FYQPLNBISA-N 2 1 345.531 3.083 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001097974215 1363185616 /nfs/dbraw/zinc/18/56/16/1363185616.db2.gz BXTQHCJNASLONP-YSTOQKLRSA-N 2 1 349.563 3.407 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001097974215 1363185620 /nfs/dbraw/zinc/18/56/20/1363185620.db2.gz BXTQHCJNASLONP-YSTOQKLRSA-N 2 1 349.563 3.407 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001097974215 1363185626 /nfs/dbraw/zinc/18/56/26/1363185626.db2.gz BXTQHCJNASLONP-YSTOQKLRSA-N 2 1 349.563 3.407 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001185090879 1387617012 /nfs/dbraw/zinc/61/70/12/1387617012.db2.gz PVUDEHGPFPZXLC-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1)C1CCCC1 ZINC001098812255 1363477670 /nfs/dbraw/zinc/47/76/70/1363477670.db2.gz AMTBFZMJEMEAHS-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185169488 1387631956 /nfs/dbraw/zinc/63/19/56/1387631956.db2.gz MEOVKMDYNAQFDY-MSOLQXFVSA-N 2 1 339.568 3.229 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CCCC1)C2 ZINC001099026703 1363582660 /nfs/dbraw/zinc/58/26/60/1363582660.db2.gz FLDHGDNOILFGDV-CUWPLCDZSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1CCCC1)C2 ZINC001099026703 1363582663 /nfs/dbraw/zinc/58/26/63/1363582663.db2.gz FLDHGDNOILFGDV-CUWPLCDZSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1CCCC1)C2 ZINC001099026703 1363582666 /nfs/dbraw/zinc/58/26/66/1363582666.db2.gz FLDHGDNOILFGDV-CUWPLCDZSA-N 2 1 347.547 3.022 20 0 EGADMP CCC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001099170161 1363668515 /nfs/dbraw/zinc/66/85/15/1363668515.db2.gz DNCQIQMXUIMFHS-AWTIPJNISA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001099170161 1363668516 /nfs/dbraw/zinc/66/85/16/1363668516.db2.gz DNCQIQMXUIMFHS-AWTIPJNISA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001099170161 1363668521 /nfs/dbraw/zinc/66/85/21/1363668521.db2.gz DNCQIQMXUIMFHS-AWTIPJNISA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099215257 1363696117 /nfs/dbraw/zinc/69/61/17/1363696117.db2.gz RBGBIHVZCJSWRR-GFOMBABLSA-N 2 1 337.552 3.291 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099236292 1363707312 /nfs/dbraw/zinc/70/73/12/1363707312.db2.gz ZMNACCAGSWRPPT-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001099236292 1363707314 /nfs/dbraw/zinc/70/73/14/1363707314.db2.gz ZMNACCAGSWRPPT-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001099236292 1363707315 /nfs/dbraw/zinc/70/73/15/1363707315.db2.gz ZMNACCAGSWRPPT-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001099239600 1363708135 /nfs/dbraw/zinc/70/81/35/1363708135.db2.gz HNBQWXLHEVMMOB-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001099239600 1363708138 /nfs/dbraw/zinc/70/81/38/1363708138.db2.gz HNBQWXLHEVMMOB-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001099239600 1363708140 /nfs/dbraw/zinc/70/81/40/1363708140.db2.gz HNBQWXLHEVMMOB-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001099269575 1363724498 /nfs/dbraw/zinc/72/44/98/1363724498.db2.gz AURXWPUEFQUUMQ-MSOLQXFVSA-N 2 1 339.568 3.370 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](CC)CC ZINC001099276798 1363728114 /nfs/dbraw/zinc/72/81/14/1363728114.db2.gz XTGXOPIZZCKNDD-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC)c1ccccc1 ZINC001099304469 1363740429 /nfs/dbraw/zinc/74/04/29/1363740429.db2.gz QPDFAPHAKSZWLC-RTBURBONSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC)c1ccccc1 ZINC001099304469 1363740432 /nfs/dbraw/zinc/74/04/32/1363740432.db2.gz QPDFAPHAKSZWLC-RTBURBONSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC)c1ccccc1 ZINC001099304469 1363740435 /nfs/dbraw/zinc/74/04/35/1363740435.db2.gz QPDFAPHAKSZWLC-RTBURBONSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC)c1ccccc1 ZINC001099304469 1363740436 /nfs/dbraw/zinc/74/04/36/1363740436.db2.gz QPDFAPHAKSZWLC-RTBURBONSA-N 2 1 345.531 3.306 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001099321227 1363749327 /nfs/dbraw/zinc/74/93/27/1363749327.db2.gz RFHDLXMQHSOXHZ-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001099321227 1363749329 /nfs/dbraw/zinc/74/93/29/1363749329.db2.gz RFHDLXMQHSOXHZ-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001099321227 1363749332 /nfs/dbraw/zinc/74/93/32/1363749332.db2.gz RFHDLXMQHSOXHZ-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340757 1363761474 /nfs/dbraw/zinc/76/14/74/1363761474.db2.gz YJEPQOWBRAFFJM-IPLHWJFFSA-N 2 1 346.519 3.155 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340757 1363761479 /nfs/dbraw/zinc/76/14/79/1363761479.db2.gz YJEPQOWBRAFFJM-IPLHWJFFSA-N 2 1 346.519 3.155 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354206 1363768049 /nfs/dbraw/zinc/76/80/49/1363768049.db2.gz OFHPTCZPEVDQKT-GFOMBABLSA-N 2 1 337.552 3.290 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001099354206 1363768054 /nfs/dbraw/zinc/76/80/54/1363768054.db2.gz OFHPTCZPEVDQKT-GFOMBABLSA-N 2 1 337.552 3.290 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001099354206 1363768057 /nfs/dbraw/zinc/76/80/57/1363768057.db2.gz OFHPTCZPEVDQKT-GFOMBABLSA-N 2 1 337.552 3.290 20 0 EGADMP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185214363 1387652811 /nfs/dbraw/zinc/65/28/11/1387652811.db2.gz GSXWUMGPXCMXPI-MSOLQXFVSA-N 2 1 346.519 3.047 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001100403028 1364103326 /nfs/dbraw/zinc/10/33/26/1364103326.db2.gz BKGBZMKIHFDPRD-VGYMBNPZSA-N 2 1 349.563 3.195 20 0 EGADMP CCC(CC)C[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001100406961 1364104202 /nfs/dbraw/zinc/10/42/02/1364104202.db2.gz TWNJEGSHDHEADP-CTWPCTMYSA-N 2 1 337.552 3.170 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]Cc2ccc(C)cc2C)C1 ZINC001100460178 1364122093 /nfs/dbraw/zinc/12/20/93/1364122093.db2.gz SOTQVJVMKGOBQA-UHFFFAOYSA-N 2 1 345.531 3.018 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2CC([NH2+]CCC(C)(C)C)C2)C1 ZINC001100599195 1364182914 /nfs/dbraw/zinc/18/29/14/1364182914.db2.gz OJQAIYLFQBZXFO-LXPRWKDFSA-N 2 1 337.552 3.029 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCC1CC([NH2+]CC=C(C)C)C1)c1ccccc1 ZINC001100858390 1364295430 /nfs/dbraw/zinc/29/54/30/1364295430.db2.gz SQDJHDDSPQZLPZ-LYBXBRPPSA-N 2 1 343.515 3.130 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001100900035 1364321444 /nfs/dbraw/zinc/32/14/44/1364321444.db2.gz MTSRGDOBTJGXJK-MDCZIUGASA-N 2 1 349.494 3.103 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1)c1ccccc1 ZINC001101034889 1364383163 /nfs/dbraw/zinc/38/31/63/1364383163.db2.gz OVBAUTXMZLCMSM-NKELODKYSA-N 2 1 345.531 3.210 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CCC3CCCC3)C[C@@]2(C)C1 ZINC001101441477 1364565540 /nfs/dbraw/zinc/56/55/40/1364565540.db2.gz VHIYJGKQZOWNJZ-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCC3CCCC3)C[C@@]2(C)C1 ZINC001101441477 1364565543 /nfs/dbraw/zinc/56/55/43/1364565543.db2.gz VHIYJGKQZOWNJZ-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CCC3CCCC3)C[C@@]2(C)C1 ZINC001101441477 1364565545 /nfs/dbraw/zinc/56/55/45/1364565545.db2.gz VHIYJGKQZOWNJZ-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101475281 1364575477 /nfs/dbraw/zinc/57/54/77/1364575477.db2.gz WKWWSQUUPBRLJB-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC3CCCCCC3)C[C@@]2(C)C1 ZINC001101477469 1364576034 /nfs/dbraw/zinc/57/60/34/1364576034.db2.gz WHSQELJFORNGFK-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC3CCCCCC3)C[C@@]2(C)C1 ZINC001101477469 1364576036 /nfs/dbraw/zinc/57/60/36/1364576036.db2.gz WHSQELJFORNGFK-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC3CCCCCC3)C[C@@]2(C)C1 ZINC001101477469 1364576040 /nfs/dbraw/zinc/57/60/40/1364576040.db2.gz WHSQELJFORNGFK-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC/C=C/CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001101522057 1364597020 /nfs/dbraw/zinc/59/70/20/1364597020.db2.gz LCLWOCKHPGDRKO-OVKVCFKUSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001101540602 1364606915 /nfs/dbraw/zinc/60/69/15/1364606915.db2.gz LCWGMYPYJIVGTN-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001101543025 1364607992 /nfs/dbraw/zinc/60/79/92/1364607992.db2.gz MYNPMDCSZMVEDD-IEBWSBKVSA-N 2 1 349.563 3.147 20 0 EGADMP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001101548899 1364612658 /nfs/dbraw/zinc/61/26/58/1364612658.db2.gz PIYHPGBSJOSAFP-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C(C)(C)C[NH2+]C[C@H](C)CC)CC1 ZINC001101591094 1364641695 /nfs/dbraw/zinc/64/16/95/1364641695.db2.gz DZCBXYZRUVAHMF-QGZVFWFLSA-N 2 1 339.568 3.229 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102060594 1364828524 /nfs/dbraw/zinc/82/85/24/1364828524.db2.gz HRFOYFNHZNXPOX-VJQBDMSCSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001102060594 1364828527 /nfs/dbraw/zinc/82/85/27/1364828527.db2.gz HRFOYFNHZNXPOX-VJQBDMSCSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001102060594 1364828531 /nfs/dbraw/zinc/82/85/31/1364828531.db2.gz HRFOYFNHZNXPOX-VJQBDMSCSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102213343 1364937230 /nfs/dbraw/zinc/93/72/30/1364937230.db2.gz CGYAZCOCESAAFD-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001324647135 1387716973 /nfs/dbraw/zinc/71/69/73/1387716973.db2.gz LUPOWIZCILXNEC-LAUBAEHRSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001324647135 1387716975 /nfs/dbraw/zinc/71/69/75/1387716975.db2.gz LUPOWIZCILXNEC-LAUBAEHRSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001324647135 1387716976 /nfs/dbraw/zinc/71/69/76/1387716976.db2.gz LUPOWIZCILXNEC-LAUBAEHRSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001185448653 1387719550 /nfs/dbraw/zinc/71/95/50/1387719550.db2.gz ZBBVMPUGSUZYBQ-MSOLQXFVSA-N 2 1 339.568 3.229 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103407702 1365542125 /nfs/dbraw/zinc/54/21/25/1365542125.db2.gz PVMDXPTZXMUUGT-GUDVDZBRSA-N 2 1 339.568 3.083 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001103426800 1365553275 /nfs/dbraw/zinc/55/32/75/1365553275.db2.gz NMPRAZJFYZBBFE-QRVBRYPASA-N 2 1 339.568 3.371 20 0 EGADMP C[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001103495530 1365597066 /nfs/dbraw/zinc/59/70/66/1365597066.db2.gz GSJKSRRINOJYRB-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001103533785 1365617422 /nfs/dbraw/zinc/61/74/22/1365617422.db2.gz AZZBRHMLVMZNQM-ZHALLVOQSA-N 2 1 348.535 3.092 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001103533785 1365617424 /nfs/dbraw/zinc/61/74/24/1365617424.db2.gz AZZBRHMLVMZNQM-ZHALLVOQSA-N 2 1 348.535 3.092 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001103755405 1365766230 /nfs/dbraw/zinc/76/62/30/1365766230.db2.gz GCKHHRLDEFCCSH-QWFCFKBJSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001103755405 1365766232 /nfs/dbraw/zinc/76/62/32/1365766232.db2.gz GCKHHRLDEFCCSH-QWFCFKBJSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@H+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001103755405 1365766234 /nfs/dbraw/zinc/76/62/34/1365766234.db2.gz GCKHHRLDEFCCSH-QWFCFKBJSA-N 2 1 345.531 3.162 20 0 EGADMP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104185239 1365941481 /nfs/dbraw/zinc/94/14/81/1365941481.db2.gz AREMEMJVJAKSCZ-VJQBDMSCSA-N 2 1 349.563 3.290 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC001185681435 1387776215 /nfs/dbraw/zinc/77/62/15/1387776215.db2.gz KKUKHTZFGMCPHB-WMZOPIPTSA-N 2 1 348.535 3.092 20 0 EGADMP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104265062 1365972252 /nfs/dbraw/zinc/97/22/52/1365972252.db2.gz RGTDJTIPTMEHRD-PFRNKHFKSA-N 2 1 349.563 3.291 20 0 EGADMP CCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104290812 1365977133 /nfs/dbraw/zinc/97/71/33/1365977133.db2.gz FBOHWVLVBRGLCX-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CC1CCCC1 ZINC001104311057 1365979579 /nfs/dbraw/zinc/97/95/79/1365979579.db2.gz PQQJDAXKMVCEFN-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104355040 1365983602 /nfs/dbraw/zinc/98/36/02/1365983602.db2.gz KTODIPAOVMEBSR-VJQBDMSCSA-N 2 1 349.563 3.291 20 0 EGADMP CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001104753497 1366157476 /nfs/dbraw/zinc/15/74/76/1366157476.db2.gz DBOAGEYYYKYQGO-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001104872651 1366205882 /nfs/dbraw/zinc/20/58/82/1366205882.db2.gz SGSZSHPROGOLLD-FAPWYTRCSA-N 2 1 337.552 3.149 20 0 EGADMP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[C@H]2CCC[N@H+]2C)CCC1 ZINC001105544914 1366522136 /nfs/dbraw/zinc/52/21/36/1366522136.db2.gz YSXXMSDPOBTBPX-MOPGFXCFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249148 1366633653 /nfs/dbraw/zinc/63/36/53/1366633653.db2.gz AUANEEMTUKAIGX-QWFCFKBJSA-N 2 1 347.547 3.044 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106271622 1366640216 /nfs/dbraw/zinc/64/02/16/1366640216.db2.gz IYICACSECOOCSE-PFRNKHFKSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106715978 1366779390 /nfs/dbraw/zinc/77/93/90/1366779390.db2.gz RTVUCSHREXUZKU-XXCOWLKOSA-N 2 1 346.519 3.047 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107524026 1367017430 /nfs/dbraw/zinc/01/74/30/1367017430.db2.gz CYQQGQQSFUOLEU-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109272920 1367036448 /nfs/dbraw/zinc/03/64/48/1367036448.db2.gz RVTQCEFDSNRFOD-XWSJACJDSA-N 2 1 335.536 3.161 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109272920 1367036455 /nfs/dbraw/zinc/03/64/55/1367036455.db2.gz RVTQCEFDSNRFOD-XWSJACJDSA-N 2 1 335.536 3.161 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001109272920 1367036460 /nfs/dbraw/zinc/03/64/60/1367036460.db2.gz RVTQCEFDSNRFOD-XWSJACJDSA-N 2 1 335.536 3.161 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609410 1367070169 /nfs/dbraw/zinc/07/01/69/1367070169.db2.gz QTJVYGMBSZNKFE-SFHLNBCPSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609410 1367070172 /nfs/dbraw/zinc/07/01/72/1367070172.db2.gz QTJVYGMBSZNKFE-SFHLNBCPSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609410 1367070177 /nfs/dbraw/zinc/07/01/77/1367070177.db2.gz QTJVYGMBSZNKFE-SFHLNBCPSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643293 1367089852 /nfs/dbraw/zinc/08/98/52/1367089852.db2.gz GDSLZROAZZDWDG-UYAOXDASSA-N 2 1 335.536 3.023 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646378 1367090178 /nfs/dbraw/zinc/09/01/78/1367090178.db2.gz HVDFFFXBICOEKZ-SFHLNBCPSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107644675 1367090877 /nfs/dbraw/zinc/09/08/77/1367090877.db2.gz FCVGUXPSCWCXTE-SFHLNBCPSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109417870 1367112177 /nfs/dbraw/zinc/11/21/77/1367112177.db2.gz PUHHOXUPPQTTIS-RDGPPVDQSA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001109417870 1367112181 /nfs/dbraw/zinc/11/21/81/1367112181.db2.gz PUHHOXUPPQTTIS-RDGPPVDQSA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001109417870 1367112185 /nfs/dbraw/zinc/11/21/85/1367112185.db2.gz PUHHOXUPPQTTIS-RDGPPVDQSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109472198 1367144162 /nfs/dbraw/zinc/14/41/62/1367144162.db2.gz ZZZYJWRMSSKJRO-SQNIBIBYSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001109472198 1367144166 /nfs/dbraw/zinc/14/41/66/1367144166.db2.gz ZZZYJWRMSSKJRO-SQNIBIBYSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001109472198 1367144169 /nfs/dbraw/zinc/14/41/69/1367144169.db2.gz ZZZYJWRMSSKJRO-SQNIBIBYSA-N 2 1 335.536 3.017 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190178930 1367192433 /nfs/dbraw/zinc/19/24/33/1367192433.db2.gz XUYXEWOXZZKREJ-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190178930 1367192437 /nfs/dbraw/zinc/19/24/37/1367192437.db2.gz XUYXEWOXZZKREJ-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190178930 1367192440 /nfs/dbraw/zinc/19/24/40/1367192440.db2.gz XUYXEWOXZZKREJ-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001190246935 1367208769 /nfs/dbraw/zinc/20/87/69/1367208769.db2.gz HWFDHUOVAQBDTH-IRXDYDNUSA-N 2 1 334.508 3.120 20 0 EGADMP CCCCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190246935 1367208771 /nfs/dbraw/zinc/20/87/71/1367208771.db2.gz HWFDHUOVAQBDTH-IRXDYDNUSA-N 2 1 334.508 3.120 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190246935 1367208775 /nfs/dbraw/zinc/20/87/75/1367208775.db2.gz HWFDHUOVAQBDTH-IRXDYDNUSA-N 2 1 334.508 3.120 20 0 EGADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1)[NH+](CC)CC ZINC001109714665 1367289687 /nfs/dbraw/zinc/28/96/87/1367289687.db2.gz RWJLQSSSRKAHNN-WCIQWLHISA-N 2 1 347.547 3.329 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1)[NH+](CC)CC ZINC001109714591 1367290528 /nfs/dbraw/zinc/29/05/28/1367290528.db2.gz PQFCSAFAHKCSDW-FYQPLNBISA-N 2 1 349.563 3.409 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190654289 1367317073 /nfs/dbraw/zinc/31/70/73/1367317073.db2.gz JKOZSUVEMKIBIT-HMTUNPETSA-N 2 1 335.536 3.138 20 0 EGADMP CC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190654289 1367317080 /nfs/dbraw/zinc/31/70/80/1367317080.db2.gz JKOZSUVEMKIBIT-HMTUNPETSA-N 2 1 335.536 3.138 20 0 EGADMP CC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190654289 1367317083 /nfs/dbraw/zinc/31/70/83/1367317083.db2.gz JKOZSUVEMKIBIT-HMTUNPETSA-N 2 1 335.536 3.138 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654800 1367318759 /nfs/dbraw/zinc/31/87/59/1367318759.db2.gz LOELZFSLAPKVEW-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190654800 1367318766 /nfs/dbraw/zinc/31/87/66/1367318766.db2.gz LOELZFSLAPKVEW-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190654800 1367318768 /nfs/dbraw/zinc/31/87/68/1367318768.db2.gz LOELZFSLAPKVEW-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH+](C)CCC(C)(C)C)C1 ZINC001190656384 1367319690 /nfs/dbraw/zinc/31/96/90/1367319690.db2.gz STOQJVVLBVPUCF-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001190656384 1367319695 /nfs/dbraw/zinc/31/96/95/1367319695.db2.gz STOQJVVLBVPUCF-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001190656384 1367319701 /nfs/dbraw/zinc/31/97/01/1367319701.db2.gz STOQJVVLBVPUCF-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP COC(=O)CC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C(C)C ZINC001190954638 1367387705 /nfs/dbraw/zinc/38/77/05/1367387705.db2.gz KQJIDFWANURTIO-UHFFFAOYSA-N 2 1 332.488 3.446 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1cccc(C)c1 ZINC001109934267 1367411828 /nfs/dbraw/zinc/41/18/28/1367411828.db2.gz XKKSAZYENAGHQP-RNQOJCNYSA-N 2 1 343.515 3.119 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1cccc(C)c1 ZINC001109934267 1367411829 /nfs/dbraw/zinc/41/18/29/1367411829.db2.gz XKKSAZYENAGHQP-RNQOJCNYSA-N 2 1 343.515 3.119 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1cccc(C)c1 ZINC001109934267 1367411832 /nfs/dbraw/zinc/41/18/32/1367411832.db2.gz XKKSAZYENAGHQP-RNQOJCNYSA-N 2 1 343.515 3.119 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082277 1367420676 /nfs/dbraw/zinc/42/06/76/1367420676.db2.gz WAEXDWNLFTWJBZ-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191082277 1367420680 /nfs/dbraw/zinc/42/06/80/1367420680.db2.gz WAEXDWNLFTWJBZ-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191082277 1367420682 /nfs/dbraw/zinc/42/06/82/1367420682.db2.gz WAEXDWNLFTWJBZ-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1csc(C)c1 ZINC001110017602 1367460183 /nfs/dbraw/zinc/46/01/83/1367460183.db2.gz DNYYNAYCUCLKDG-SQNIBIBYSA-N 2 1 349.544 3.010 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1csc(C)c1 ZINC001110017602 1367460186 /nfs/dbraw/zinc/46/01/86/1367460186.db2.gz DNYYNAYCUCLKDG-SQNIBIBYSA-N 2 1 349.544 3.010 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1csc(C)c1 ZINC001110017602 1367460190 /nfs/dbraw/zinc/46/01/90/1367460190.db2.gz DNYYNAYCUCLKDG-SQNIBIBYSA-N 2 1 349.544 3.010 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C)c(F)c2)C1 ZINC001191258470 1367460938 /nfs/dbraw/zinc/46/09/38/1367460938.db2.gz NBECNZVKQLCFSU-INIZCTEOSA-N 2 1 335.467 3.126 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001110149725 1367526421 /nfs/dbraw/zinc/52/64/21/1367526421.db2.gz WXTDUMZLFWDEIR-AABGKKOBSA-N 2 1 347.547 3.164 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CC[C@@H]([N@@H+](C)CCCC3CCC3)C2)CCCC1 ZINC001191560412 1367528138 /nfs/dbraw/zinc/52/81/38/1367528138.db2.gz FNOQCYKMLDUFMP-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188604 1367555973 /nfs/dbraw/zinc/55/59/73/1367555973.db2.gz IQQFECNABYLACO-KCYZDWFNSA-N 2 1 347.547 3.330 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684449 1367560130 /nfs/dbraw/zinc/56/01/30/1367560130.db2.gz RUOCHNWVTODAOX-ZEVQVBBLSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684105 1367560242 /nfs/dbraw/zinc/56/02/42/1367560242.db2.gz NUFGFKWLJNYEJM-ROUUACIJSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCCC3CCCC3)C2)CC[N@H+]1C ZINC001191967478 1367651566 /nfs/dbraw/zinc/65/15/66/1367651566.db2.gz INBQDEDNFIFINO-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCCC3CCCC3)C2)CC[NH+]1C ZINC001191967478 1367651567 /nfs/dbraw/zinc/65/15/67/1367651567.db2.gz INBQDEDNFIFINO-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCCC3CCCC3)C2)CC[NH+]1C ZINC001191967478 1367651573 /nfs/dbraw/zinc/65/15/73/1367651573.db2.gz INBQDEDNFIFINO-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192327019 1367754169 /nfs/dbraw/zinc/75/41/69/1367754169.db2.gz WBXFOBZBPZGGOY-MSOLQXFVSA-N 2 1 325.541 3.220 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001192325692 1367752829 /nfs/dbraw/zinc/75/28/29/1367752829.db2.gz MPQQZSQPADFIQZ-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192406069 1367774680 /nfs/dbraw/zinc/77/46/80/1367774680.db2.gz AAFQIHOYGQNENN-PKOBYXMFSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192406069 1367774682 /nfs/dbraw/zinc/77/46/82/1367774682.db2.gz AAFQIHOYGQNENN-PKOBYXMFSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192406069 1367774687 /nfs/dbraw/zinc/77/46/87/1367774687.db2.gz AAFQIHOYGQNENN-PKOBYXMFSA-N 2 1 345.531 3.258 20 0 EGADMP CCC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192866120 1367892146 /nfs/dbraw/zinc/89/21/46/1367892146.db2.gz IMCDHIHSLDPYJW-RURPWVQCSA-N 2 1 346.519 3.251 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192866120 1367892148 /nfs/dbraw/zinc/89/21/48/1367892148.db2.gz IMCDHIHSLDPYJW-RURPWVQCSA-N 2 1 346.519 3.251 20 0 EGADMP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCCC2)CCC1 ZINC001110664142 1367905671 /nfs/dbraw/zinc/90/56/71/1367905671.db2.gz HLETVWPBMUODBI-QRVBRYPASA-N 2 1 347.547 3.163 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001193389891 1368017630 /nfs/dbraw/zinc/01/76/30/1368017630.db2.gz JGDCDHSRLHCWIH-OALUTQOASA-N 2 1 337.552 3.364 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001193389891 1368017635 /nfs/dbraw/zinc/01/76/35/1368017635.db2.gz JGDCDHSRLHCWIH-OALUTQOASA-N 2 1 337.552 3.364 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001193389891 1368017639 /nfs/dbraw/zinc/01/76/39/1368017639.db2.gz JGDCDHSRLHCWIH-OALUTQOASA-N 2 1 337.552 3.364 20 0 EGADMP CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423465 1368025896 /nfs/dbraw/zinc/02/58/96/1368025896.db2.gz ACZPWBXTWVOQMO-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193423465 1368025901 /nfs/dbraw/zinc/02/59/01/1368025901.db2.gz ACZPWBXTWVOQMO-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193423465 1368025907 /nfs/dbraw/zinc/02/59/07/1368025907.db2.gz ACZPWBXTWVOQMO-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@@H+](C)C/C=C/Cl)C1 ZINC001193425283 1368026834 /nfs/dbraw/zinc/02/68/34/1368026834.db2.gz UXKUIHXRLNBFDJ-JEJOPICUSA-N 2 1 343.943 3.174 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@H]([NH+](C)CC=C(C)C)C1)c1ccccc1 ZINC001193423867 1368026851 /nfs/dbraw/zinc/02/68/51/1368026851.db2.gz HDUVBRNMBWSPRU-VQTJNVASSA-N 2 1 343.515 3.178 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC=C(C)C)C1)c1ccccc1 ZINC001193423867 1368026857 /nfs/dbraw/zinc/02/68/57/1368026857.db2.gz HDUVBRNMBWSPRU-VQTJNVASSA-N 2 1 343.515 3.178 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC=C(C)C)C1)c1ccccc1 ZINC001193423867 1368026862 /nfs/dbraw/zinc/02/68/62/1368026862.db2.gz HDUVBRNMBWSPRU-VQTJNVASSA-N 2 1 343.515 3.178 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@H]([NH+](C)CCC(C)C)C1)c1ccccc1 ZINC001193424778 1368026899 /nfs/dbraw/zinc/02/68/99/1368026899.db2.gz PANSZXRUITVANR-VQTJNVASSA-N 2 1 345.531 3.258 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCC(C)C)C1)c1ccccc1 ZINC001193424778 1368026900 /nfs/dbraw/zinc/02/69/00/1368026900.db2.gz PANSZXRUITVANR-VQTJNVASSA-N 2 1 345.531 3.258 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCC(C)C)C1)c1ccccc1 ZINC001193424778 1368026907 /nfs/dbraw/zinc/02/69/07/1368026907.db2.gz PANSZXRUITVANR-VQTJNVASSA-N 2 1 345.531 3.258 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@@H+](C)CC[C@H](C)F)C1 ZINC001193424784 1368027185 /nfs/dbraw/zinc/02/71/85/1368027185.db2.gz PAPSDZFQRRVJAX-ROUUACIJSA-N 2 1 343.531 3.169 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(C)C)c1ccccc1 ZINC001111270585 1368236854 /nfs/dbraw/zinc/23/68/54/1368236854.db2.gz XEPQXRJJTIZJHR-ZRNYENFQSA-N 2 1 343.515 3.057 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(C)C)c1ccccc1 ZINC001111270585 1368236859 /nfs/dbraw/zinc/23/68/59/1368236859.db2.gz XEPQXRJJTIZJHR-ZRNYENFQSA-N 2 1 343.515 3.057 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C)c1ccccc1 ZINC001111270585 1368236862 /nfs/dbraw/zinc/23/68/62/1368236862.db2.gz XEPQXRJJTIZJHR-ZRNYENFQSA-N 2 1 343.515 3.057 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C)c1ccccc1 ZINC001111270585 1368236867 /nfs/dbraw/zinc/23/68/67/1368236867.db2.gz XEPQXRJJTIZJHR-ZRNYENFQSA-N 2 1 343.515 3.057 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298607 1368258654 /nfs/dbraw/zinc/25/86/54/1368258654.db2.gz HFSKLVZQNHPMPM-IWOQZAADSA-N 2 1 335.536 3.186 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCCC1 ZINC001111312599 1368263062 /nfs/dbraw/zinc/26/30/62/1368263062.db2.gz OYNMVQCRQKMCKW-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCCC1 ZINC001111312599 1368263063 /nfs/dbraw/zinc/26/30/63/1368263063.db2.gz OYNMVQCRQKMCKW-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCCC1 ZINC001111312599 1368263072 /nfs/dbraw/zinc/26/30/72/1368263072.db2.gz OYNMVQCRQKMCKW-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001111307814 1368263218 /nfs/dbraw/zinc/26/32/18/1368263218.db2.gz YUOZMDQPOANZOM-KURKYZTESA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001111307814 1368263222 /nfs/dbraw/zinc/26/32/22/1368263222.db2.gz YUOZMDQPOANZOM-KURKYZTESA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001111307814 1368263225 /nfs/dbraw/zinc/26/32/25/1368263225.db2.gz YUOZMDQPOANZOM-KURKYZTESA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[C@@H](C)C1 ZINC001195179723 1368394907 /nfs/dbraw/zinc/39/49/07/1368394907.db2.gz PFKLDWDYOVNDSD-KOUHRCEDSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[C@@H](C)C1 ZINC001195179723 1368394910 /nfs/dbraw/zinc/39/49/10/1368394910.db2.gz PFKLDWDYOVNDSD-KOUHRCEDSA-N 2 1 330.516 3.428 20 0 EGADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1=CCCCC1)C2)[NH+](C)C ZINC001111788898 1368462604 /nfs/dbraw/zinc/46/26/04/1368462604.db2.gz OAWBGJLJKMDAOG-ZVDOUQERSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC1CCCC1)C2)[NH+](C)C ZINC001111788942 1368462789 /nfs/dbraw/zinc/46/27/89/1368462789.db2.gz QBIHTQFRLPNVEP-ZVDOUQERSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785804 1368490322 /nfs/dbraw/zinc/49/03/22/1368490322.db2.gz VYLYZXUYRMCTTL-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001195785804 1368490324 /nfs/dbraw/zinc/49/03/24/1368490324.db2.gz VYLYZXUYRMCTTL-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001195785804 1368490328 /nfs/dbraw/zinc/49/03/28/1368490328.db2.gz VYLYZXUYRMCTTL-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785835 1368490477 /nfs/dbraw/zinc/49/04/77/1368490477.db2.gz XNEOLQVVKLHDJV-LIXSYLKWSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001195785835 1368490478 /nfs/dbraw/zinc/49/04/78/1368490478.db2.gz XNEOLQVVKLHDJV-LIXSYLKWSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001195785835 1368490479 /nfs/dbraw/zinc/49/04/79/1368490479.db2.gz XNEOLQVVKLHDJV-LIXSYLKWSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001195865432 1368505912 /nfs/dbraw/zinc/50/59/12/1368505912.db2.gz KFEOIBMVVKQZTR-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001195865432 1368505917 /nfs/dbraw/zinc/50/59/17/1368505917.db2.gz KFEOIBMVVKQZTR-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001195865432 1368505919 /nfs/dbraw/zinc/50/59/19/1368505919.db2.gz KFEOIBMVVKQZTR-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001195865434 1368506275 /nfs/dbraw/zinc/50/62/75/1368506275.db2.gz KFEOIBMVVKQZTR-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001195865434 1368506278 /nfs/dbraw/zinc/50/62/78/1368506278.db2.gz KFEOIBMVVKQZTR-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001195865434 1368506282 /nfs/dbraw/zinc/50/62/82/1368506282.db2.gz KFEOIBMVVKQZTR-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[C@H]([NH+](C)CCc2ccccc2)C1 ZINC001195902768 1368513741 /nfs/dbraw/zinc/51/37/41/1368513741.db2.gz OPXRZOOMPMMTBS-VXKWHMMOSA-N 2 1 343.559 3.498 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC001195902768 1368513743 /nfs/dbraw/zinc/51/37/43/1368513743.db2.gz OPXRZOOMPMMTBS-VXKWHMMOSA-N 2 1 343.559 3.498 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC001195902768 1368513753 /nfs/dbraw/zinc/51/37/53/1368513753.db2.gz OPXRZOOMPMMTBS-VXKWHMMOSA-N 2 1 343.559 3.498 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196155665 1368558815 /nfs/dbraw/zinc/55/88/15/1368558815.db2.gz QFLLPOASEUTJBY-YJJPMGAVSA-N 2 1 349.563 3.245 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001196155665 1368558818 /nfs/dbraw/zinc/55/88/18/1368558818.db2.gz QFLLPOASEUTJBY-YJJPMGAVSA-N 2 1 349.563 3.245 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001196155665 1368558822 /nfs/dbraw/zinc/55/88/22/1368558822.db2.gz QFLLPOASEUTJBY-YJJPMGAVSA-N 2 1 349.563 3.245 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001196389019 1368603959 /nfs/dbraw/zinc/60/39/59/1368603959.db2.gz YVDZSARBAZVIST-UHFFFAOYSA-N 2 1 342.487 3.371 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388096 1368604109 /nfs/dbraw/zinc/60/41/09/1368604109.db2.gz CEOVMZMRXWWUAE-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001196388096 1368604112 /nfs/dbraw/zinc/60/41/12/1368604112.db2.gz CEOVMZMRXWWUAE-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001196388096 1368604114 /nfs/dbraw/zinc/60/41/14/1368604114.db2.gz CEOVMZMRXWWUAE-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112005154 1368608156 /nfs/dbraw/zinc/60/81/56/1368608156.db2.gz XKARCAZKVHTSPU-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001196890618 1368708196 /nfs/dbraw/zinc/70/81/96/1368708196.db2.gz TYHNPNJGQSVVDQ-HCZHMGAMSA-N 2 1 349.563 3.389 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001196890618 1368708198 /nfs/dbraw/zinc/70/81/98/1368708198.db2.gz TYHNPNJGQSVVDQ-HCZHMGAMSA-N 2 1 349.563 3.389 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001196890618 1368708200 /nfs/dbraw/zinc/70/82/00/1368708200.db2.gz TYHNPNJGQSVVDQ-HCZHMGAMSA-N 2 1 349.563 3.389 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196962195 1368722297 /nfs/dbraw/zinc/72/22/97/1368722297.db2.gz BCIYHQPMQVSNOO-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[NH+](CCCC(C)(C)C)CC1)CC(C)(C)C ZINC001197187727 1368761947 /nfs/dbraw/zinc/76/19/47/1368761947.db2.gz KRTQPTKRFINCNS-UHFFFAOYSA-N 2 1 339.568 3.325 20 0 EGADMP C[NH+](CC(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1)CC(C)(C)C ZINC001197187727 1368761952 /nfs/dbraw/zinc/76/19/52/1368761952.db2.gz KRTQPTKRFINCNS-UHFFFAOYSA-N 2 1 339.568 3.325 20 0 EGADMP C[NH+](CC(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1)CC(C)(C)C ZINC001197187727 1368761955 /nfs/dbraw/zinc/76/19/55/1368761955.db2.gz KRTQPTKRFINCNS-UHFFFAOYSA-N 2 1 339.568 3.325 20 0 EGADMP CCC(CC)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001112428153 1368842706 /nfs/dbraw/zinc/84/27/06/1368842706.db2.gz CJVWNCKNFJEOTD-ZVDOUQERSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001112432214 1368848041 /nfs/dbraw/zinc/84/80/41/1368848041.db2.gz YZXUPSXTAYZGIJ-YJKCGTDLSA-N 2 1 347.547 3.045 20 0 EGADMP CCc1ccc(C[N@H+]2CCCN(C(=O)CCCC[NH+](C)C)CC2)cc1 ZINC001197869746 1368915891 /nfs/dbraw/zinc/91/58/91/1368915891.db2.gz AKTIGCAQCIUQLZ-UHFFFAOYSA-N 2 1 345.531 3.015 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197871695 1368917157 /nfs/dbraw/zinc/91/71/57/1368917157.db2.gz XCQWSBHBFWUWAY-GOSISDBHSA-N 2 1 331.504 3.014 20 0 EGADMP CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001112540218 1368920803 /nfs/dbraw/zinc/92/08/03/1368920803.db2.gz LQGDJGFLIMBAIM-ZJOUEHCJSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2ccc(C)c(C)c2)CC1 ZINC001197907975 1368923171 /nfs/dbraw/zinc/92/31/71/1368923171.db2.gz NAPKNLZWHWVJBW-UHFFFAOYSA-N 2 1 345.531 3.070 20 0 EGADMP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001112585731 1368938365 /nfs/dbraw/zinc/93/83/65/1368938365.db2.gz OLZZFVOPQRWJGL-ZJOUEHCJSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N1CCC[N@@H+](Cc2ccsc2)CC1 ZINC001198136525 1368966630 /nfs/dbraw/zinc/96/66/30/1368966630.db2.gz UBFXKYXGCIVCBU-UHFFFAOYSA-N 2 1 349.544 3.049 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH+](CCCC(C)(C)C)CC1 ZINC001112864921 1369056406 /nfs/dbraw/zinc/05/64/06/1369056406.db2.gz JVRVIAXFXZQRMI-KRWDZBQOSA-N 2 1 348.535 3.367 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001325458225 1387979528 /nfs/dbraw/zinc/97/95/28/1387979528.db2.gz VKIRNSAGCQQLSK-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(Br)nc2)CC1 ZINC001199420112 1369222380 /nfs/dbraw/zinc/22/23/80/1369222380.db2.gz IJBBXEZXQDBPBB-UHFFFAOYSA-N 2 1 326.282 3.197 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC001199742451 1369266244 /nfs/dbraw/zinc/26/62/44/1369266244.db2.gz DJLDFQKBPLMGLN-AWEZNQCLSA-N 2 1 338.879 3.323 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC001199742451 1369266247 /nfs/dbraw/zinc/26/62/47/1369266247.db2.gz DJLDFQKBPLMGLN-AWEZNQCLSA-N 2 1 338.879 3.323 20 0 EGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001113300767 1369331756 /nfs/dbraw/zinc/33/17/56/1369331756.db2.gz BETVXGOMPSSEJL-KRWDZBQOSA-N 2 1 345.531 3.141 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2OC(F)(F)O3)C1 ZINC001200255246 1369335365 /nfs/dbraw/zinc/33/53/65/1369335365.db2.gz MZFMGCFJPUGPQE-CYBMUJFWSA-N 2 1 326.387 3.218 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2OC(F)(F)O3)C1 ZINC001200255246 1369335370 /nfs/dbraw/zinc/33/53/70/1369335370.db2.gz MZFMGCFJPUGPQE-CYBMUJFWSA-N 2 1 326.387 3.218 20 0 EGADMP CC[C@H](C(=O)N1CC[NH+](Cc2cc(C)ccc2C)CC1)[NH+](CC)CC ZINC001113337079 1369357762 /nfs/dbraw/zinc/35/77/62/1369357762.db2.gz PHPMKWSWGVSYGA-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001200506633 1369381942 /nfs/dbraw/zinc/38/19/42/1369381942.db2.gz FXQTYPVPEIBFMY-PKOBYXMFSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001200506631 1369382064 /nfs/dbraw/zinc/38/20/64/1369382064.db2.gz FXQTYPVPEIBFMY-MJGOQNOKSA-N 2 1 337.552 3.122 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001113402990 1369400892 /nfs/dbraw/zinc/40/08/92/1369400892.db2.gz NQMYCIHXLQCJLS-LIXSYLKWSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001113402990 1369400894 /nfs/dbraw/zinc/40/08/94/1369400894.db2.gz NQMYCIHXLQCJLS-LIXSYLKWSA-N 2 1 335.536 3.140 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](CCCC(C)C)CC1 ZINC001113439640 1369429690 /nfs/dbraw/zinc/42/96/90/1369429690.db2.gz MIKNAVYEDCIYHP-UHFFFAOYSA-N 2 1 325.541 3.079 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001113441740 1369430995 /nfs/dbraw/zinc/43/09/95/1369430995.db2.gz QNNJTHWVWNRLGQ-VYENPZKTSA-N 2 1 337.552 3.243 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053810 1369472938 /nfs/dbraw/zinc/47/29/38/1369472938.db2.gz YFERDYJJUGBUEU-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](CC(C)(C)C)CC2 ZINC001201434105 1369544923 /nfs/dbraw/zinc/54/49/23/1369544923.db2.gz BSDQSGPSILHHCY-SFHVURJKSA-N 2 1 331.504 3.183 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](CC(C)(C)C)CC2 ZINC001201434105 1369544925 /nfs/dbraw/zinc/54/49/25/1369544925.db2.gz BSDQSGPSILHHCY-SFHVURJKSA-N 2 1 331.504 3.183 20 0 EGADMP CSCCC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001201680372 1369604822 /nfs/dbraw/zinc/60/48/22/1369604822.db2.gz GYQGHQJAELNPCS-INIZCTEOSA-N 2 1 338.517 3.088 20 0 EGADMP Cc1cccc(C)c1NC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001202195923 1369712882 /nfs/dbraw/zinc/71/28/82/1369712882.db2.gz FMFROSBRRJIOJM-UHFFFAOYSA-N 2 1 339.443 3.094 20 0 EGADMP FC(F)(F)CCC[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001202405336 1369762235 /nfs/dbraw/zinc/76/22/35/1369762235.db2.gz QYGQULPYGPUYOX-UHFFFAOYSA-N 2 1 344.425 3.070 20 0 EGADMP CC(C)(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001202862883 1369910663 /nfs/dbraw/zinc/91/06/63/1369910663.db2.gz HHYHFQJKUANGDD-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CCC1(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)COC1 ZINC001202957927 1369935719 /nfs/dbraw/zinc/93/57/19/1369935719.db2.gz HSPJIHPARAHASZ-UHFFFAOYSA-N 2 1 328.500 3.401 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203104973 1369984864 /nfs/dbraw/zinc/98/48/64/1369984864.db2.gz UPUXFOODFIVVDI-SJORKVTESA-N 2 1 337.552 3.170 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1)c1ccccc1 ZINC001187035065 1388043270 /nfs/dbraw/zinc/04/32/70/1388043270.db2.gz SYZMFNKPWNMJPV-RTBURBONSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccccc2C(C)C)CC1 ZINC001203215174 1370027774 /nfs/dbraw/zinc/02/77/74/1370027774.db2.gz SMGVRUZYRBCGPD-UHFFFAOYSA-N 2 1 345.531 3.232 20 0 EGADMP Cn1cccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001203260826 1370047375 /nfs/dbraw/zinc/04/73/75/1370047375.db2.gz GLGLAZISNMRNEG-IOMROCGXSA-N 2 1 338.499 3.153 20 0 EGADMP Cn1cccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001203260826 1370047381 /nfs/dbraw/zinc/04/73/81/1370047381.db2.gz GLGLAZISNMRNEG-IOMROCGXSA-N 2 1 338.499 3.153 20 0 EGADMP Cn1cccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001203260826 1370047386 /nfs/dbraw/zinc/04/73/86/1370047386.db2.gz GLGLAZISNMRNEG-IOMROCGXSA-N 2 1 338.499 3.153 20 0 EGADMP Cn1cccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001203260826 1370047392 /nfs/dbraw/zinc/04/73/92/1370047392.db2.gz GLGLAZISNMRNEG-IOMROCGXSA-N 2 1 338.499 3.153 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC([NH2+]C/C=C/Cl)CC1)c1ccccc1 ZINC001203312222 1370077287 /nfs/dbraw/zinc/07/72/87/1370077287.db2.gz BJLCYFSQCCNFAD-NUCSPZLJSA-N 2 1 349.906 3.013 20 0 EGADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3ccccc3F)C2)C1 ZINC001203348168 1370093135 /nfs/dbraw/zinc/09/31/35/1370093135.db2.gz LIPCWWHEUBKFJH-UYAOXDASSA-N 2 1 332.463 3.006 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21)[NH+](CC)CC ZINC001114828295 1370101196 /nfs/dbraw/zinc/10/11/96/1370101196.db2.gz ANSNTOHOHZDHRQ-WCIQWLHISA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001203431376 1370123262 /nfs/dbraw/zinc/12/32/62/1370123262.db2.gz DWLRJGOPNMXELI-UHFFFAOYSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203650496 1370201364 /nfs/dbraw/zinc/20/13/64/1370201364.db2.gz HYYDLZDJZMBBNN-OALUTQOASA-N 2 1 349.563 3.316 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203651916 1370202216 /nfs/dbraw/zinc/20/22/16/1370202216.db2.gz QPDKEWJUZOIPOC-HNGSOEQISA-N 2 1 335.536 3.092 20 0 EGADMP Cc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(C)c1 ZINC001203733161 1370240229 /nfs/dbraw/zinc/24/02/29/1370240229.db2.gz ZQBZKNQHGXSTRX-UHFFFAOYSA-N 2 1 338.499 3.154 20 0 EGADMP Nc1cc[nH+]c(-c2cc(Nc3ccc(C[NH+]4CCCC4)cc3)ccn2)c1 ZINC001203785251 1370263126 /nfs/dbraw/zinc/26/31/26/1370263126.db2.gz FXPNQMAGBNBCAE-UHFFFAOYSA-N 2 1 345.450 3.487 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH2+]CC/C=C\c2ccccc2)CC1 ZINC001203925508 1370316770 /nfs/dbraw/zinc/31/67/70/1370316770.db2.gz QLDIGWUZEBGKLC-XFFZJAGNSA-N 2 1 343.515 3.011 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC001204082737 1370370048 /nfs/dbraw/zinc/37/00/48/1370370048.db2.gz PDFIRUCIRXLUTN-HLAWJBBLSA-N 2 1 336.483 3.209 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC001204082737 1370370055 /nfs/dbraw/zinc/37/00/55/1370370055.db2.gz PDFIRUCIRXLUTN-HLAWJBBLSA-N 2 1 336.483 3.209 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccncc3)C[C@@H]21 ZINC001204082737 1370370060 /nfs/dbraw/zinc/37/00/60/1370370060.db2.gz PDFIRUCIRXLUTN-HLAWJBBLSA-N 2 1 336.483 3.209 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccncc3)C[C@@H]21 ZINC001204082737 1370370068 /nfs/dbraw/zinc/37/00/68/1370370068.db2.gz PDFIRUCIRXLUTN-HLAWJBBLSA-N 2 1 336.483 3.209 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC001204082737 1370370073 /nfs/dbraw/zinc/37/00/73/1370370073.db2.gz PDFIRUCIRXLUTN-HLAWJBBLSA-N 2 1 336.483 3.209 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC001204082737 1370370077 /nfs/dbraw/zinc/37/00/77/1370370077.db2.gz PDFIRUCIRXLUTN-HLAWJBBLSA-N 2 1 336.483 3.209 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)cc1 ZINC001204263040 1370424984 /nfs/dbraw/zinc/42/49/84/1370424984.db2.gz FDURNYNKJJVCOR-CALCHBBNSA-N 2 1 338.442 3.494 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCCC2)CCCCC1 ZINC001115450862 1370459510 /nfs/dbraw/zinc/45/95/10/1370459510.db2.gz ROKROVGKBBCCKO-IBGZPJMESA-N 2 1 349.563 3.460 20 0 EGADMP c1ccc2nc(C[N@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)ccc2c1 ZINC001204500386 1370493399 /nfs/dbraw/zinc/49/33/99/1370493399.db2.gz SREMXKITJICUHM-BGYRXZFFSA-N 2 1 344.462 3.194 20 0 EGADMP c1ccc2nc(CN3C[C@@H]4C[N@@H+](Cc5cccnc5)C[C@@H]4C3)ccc2c1 ZINC001204500386 1370493405 /nfs/dbraw/zinc/49/34/05/1370493405.db2.gz SREMXKITJICUHM-BGYRXZFFSA-N 2 1 344.462 3.194 20 0 EGADMP Cc1nn(C)cc1C[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001204580338 1370522023 /nfs/dbraw/zinc/52/20/23/1370522023.db2.gz TUOLITRJYJNLCX-ACRUOGEOSA-N 2 1 338.499 3.339 20 0 EGADMP Cc1nn(C)cc1C[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001204580338 1370522025 /nfs/dbraw/zinc/52/20/25/1370522025.db2.gz TUOLITRJYJNLCX-ACRUOGEOSA-N 2 1 338.499 3.339 20 0 EGADMP Cc1nn(C)cc1C[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001204580338 1370522027 /nfs/dbraw/zinc/52/20/27/1370522027.db2.gz TUOLITRJYJNLCX-ACRUOGEOSA-N 2 1 338.499 3.339 20 0 EGADMP Cc1nn(C)cc1C[N@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001204580338 1370522029 /nfs/dbraw/zinc/52/20/29/1370522029.db2.gz TUOLITRJYJNLCX-ACRUOGEOSA-N 2 1 338.499 3.339 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)CC1 ZINC001204714453 1370552212 /nfs/dbraw/zinc/55/22/12/1370552212.db2.gz RIYSVLNCCPAXBR-IBGZPJMESA-N 2 1 326.488 3.442 20 0 EGADMP COc1ccc(OC(C)C)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204742228 1370562080 /nfs/dbraw/zinc/56/20/80/1370562080.db2.gz KTGLAADYTOIIAM-UHFFFAOYSA-N 2 1 332.488 3.448 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1 ZINC001115562950 1370562678 /nfs/dbraw/zinc/56/26/78/1370562678.db2.gz MUEZLUDZQLINFC-ACBHZAAOSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCCCC1 ZINC001115573005 1370574902 /nfs/dbraw/zinc/57/49/02/1370574902.db2.gz CTNNQTQSKQBDMA-SFHVURJKSA-N 2 1 335.536 3.212 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC001115573646 1370576477 /nfs/dbraw/zinc/57/64/77/1370576477.db2.gz SDOLIRVNRXBNEB-QGZVFWFLSA-N 2 1 344.503 3.135 20 0 EGADMP CC/C=C/CC[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCCCC1 ZINC001115574807 1370577907 /nfs/dbraw/zinc/57/79/07/1370577907.db2.gz RFDYRFIMBHZNHG-SNAWJCMRSA-N 2 1 335.536 3.236 20 0 EGADMP CC[C@@H](F)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579384 1370582633 /nfs/dbraw/zinc/58/26/33/1370582633.db2.gz LGBLPFNLIXXPBG-IAGOWNOFSA-N 2 1 341.515 3.018 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC3CCCC3)c2)C1 ZINC001205009411 1370627210 /nfs/dbraw/zinc/62/72/10/1370627210.db2.gz RHKDQDMFICQTCT-QGZVFWFLSA-N 2 1 332.488 3.448 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OC3CCCC3)c2)C1 ZINC001205009411 1370627214 /nfs/dbraw/zinc/62/72/14/1370627214.db2.gz RHKDQDMFICQTCT-QGZVFWFLSA-N 2 1 332.488 3.448 20 0 EGADMP COC(=O)c1ccc(-c2cccc(C[N@@H+]3[C@@H](C)CC[C@H]3C[NH3+])c2)cc1 ZINC001205087405 1370647460 /nfs/dbraw/zinc/64/74/60/1370647460.db2.gz DRDHRKMZPOIIPM-YWZLYKJASA-N 2 1 338.451 3.452 20 0 EGADMP COC(=O)c1ccc(-c2cccc(C[N@H+]3[C@@H](C)CC[C@H]3C[NH3+])c2)cc1 ZINC001205087405 1370647465 /nfs/dbraw/zinc/64/74/65/1370647465.db2.gz DRDHRKMZPOIIPM-YWZLYKJASA-N 2 1 338.451 3.452 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC001205231089 1370688919 /nfs/dbraw/zinc/68/89/19/1370688919.db2.gz WPGWCTRIHIQIJK-CQSZACIVSA-N 2 1 336.785 3.035 20 0 EGADMP CCOC(=O)c1ccc2c(C[N@H+]3CCC[C@](C)([NH3+])CC3)c[nH]c2c1 ZINC001205296854 1370711106 /nfs/dbraw/zinc/71/11/06/1370711106.db2.gz VDFBNGRDQVMNFN-IBGZPJMESA-N 2 1 329.444 3.048 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115730251 1370712927 /nfs/dbraw/zinc/71/29/27/1370712927.db2.gz GVLVTFFBHRBEES-IEBWSBKVSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001205462462 1370763498 /nfs/dbraw/zinc/76/34/98/1370763498.db2.gz YZUHZOAYYYUTHK-GOSISDBHSA-N 2 1 346.519 3.025 20 0 EGADMP C[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)nc1 ZINC001205543789 1370786485 /nfs/dbraw/zinc/78/64/85/1370786485.db2.gz DYLJNIFWUGLOQS-NRFANRHFSA-N 2 1 336.483 3.315 20 0 EGADMP CC(C)C[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001325942360 1388094087 /nfs/dbraw/zinc/09/40/87/1388094087.db2.gz ISCNYDYOIBVIBQ-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1C[C@@H]2CCCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001325942360 1388094090 /nfs/dbraw/zinc/09/40/90/1388094090.db2.gz ISCNYDYOIBVIBQ-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1C[C@@H]2CCCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001325942360 1388094095 /nfs/dbraw/zinc/09/40/95/1388094095.db2.gz ISCNYDYOIBVIBQ-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2nccnc2-c2ccc(Cl)cc2)CC1 ZINC001205570559 1370795144 /nfs/dbraw/zinc/79/51/44/1370795144.db2.gz LRGQPQVXXBNNMI-SFHVURJKSA-N 2 1 348.853 3.450 20 0 EGADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205571651 1370795167 /nfs/dbraw/zinc/79/51/67/1370795167.db2.gz WVOURYPFVIOYOH-OAHLLOKOSA-N 2 1 334.357 3.367 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(Br)c1 ZINC001205570072 1370795424 /nfs/dbraw/zinc/79/54/24/1370795424.db2.gz DYLJXUZOJGYICD-HNNXBMFYSA-N 2 1 345.256 3.111 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001205594298 1370804878 /nfs/dbraw/zinc/80/48/78/1370804878.db2.gz OYZBOORVECHJFT-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205601629 1370806253 /nfs/dbraw/zinc/80/62/53/1370806253.db2.gz FLFBSOOHUXCHLD-MAUKXSAKSA-N 2 1 326.488 3.296 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cccc(F)c2Br)CC[C@H]1C[NH3+] ZINC001205616901 1370811504 /nfs/dbraw/zinc/81/15/04/1370811504.db2.gz HNIGPISZEHLTNB-NEPJUHHUSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccc(Br)nc2Cl)CC[C@@H]1C[NH3+] ZINC001205618305 1370813011 /nfs/dbraw/zinc/81/30/11/1370813011.db2.gz UITAWAPKFRWUFN-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(Br)nc2Cl)CC[C@@H]1C[NH3+] ZINC001205618305 1370813018 /nfs/dbraw/zinc/81/30/18/1370813018.db2.gz UITAWAPKFRWUFN-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC3CCOCC3)cc2)CC[C@H]1C[NH3+] ZINC001205626344 1370816571 /nfs/dbraw/zinc/81/65/71/1370816571.db2.gz GCHFYGQFROKOPK-AEFFLSMTSA-N 2 1 332.488 3.051 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc1Br ZINC001205627652 1370817808 /nfs/dbraw/zinc/81/78/08/1370817808.db2.gz RHFVRGMUEGOYJM-TZMCWYRMSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205651914 1370828394 /nfs/dbraw/zinc/82/83/94/1370828394.db2.gz LQWVJQMBTKWTAG-GOEBONIOSA-N 2 1 332.879 3.333 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001205671552 1370838112 /nfs/dbraw/zinc/83/81/12/1370838112.db2.gz CJCGYMIXUPAKDR-FQEVSTJZSA-N 2 1 328.431 3.168 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(Cl)cc1C ZINC001205677864 1370839436 /nfs/dbraw/zinc/83/94/36/1370839436.db2.gz IWTKBGQYPVTTPO-IBGZPJMESA-N 2 1 337.939 3.496 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2sccc2Oc2ccccc2)C1 ZINC001205680792 1370841629 /nfs/dbraw/zinc/84/16/29/1370841629.db2.gz ASELFYUBUUCDFV-GOSISDBHSA-N 2 1 332.469 3.216 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2sccc2Oc2ccccc2)C1 ZINC001205680792 1370841639 /nfs/dbraw/zinc/84/16/39/1370841639.db2.gz ASELFYUBUUCDFV-GOSISDBHSA-N 2 1 332.469 3.216 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)C1 ZINC001205734653 1370854862 /nfs/dbraw/zinc/85/48/62/1370854862.db2.gz GHQIIIMJAZSQSH-LJQANCHMSA-N 2 1 345.874 3.078 20 0 EGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001205832025 1370887259 /nfs/dbraw/zinc/88/72/59/1370887259.db2.gz YXIJKVSKGKMSKL-RISCZKNCSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001205832025 1370887264 /nfs/dbraw/zinc/88/72/64/1370887264.db2.gz YXIJKVSKGKMSKL-RISCZKNCSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCCCC2)CCC[C@]1(O)C(F)(F)F ZINC001205922941 1370912202 /nfs/dbraw/zinc/91/22/02/1370912202.db2.gz DWXRFWNHJCTHQY-GOEBONIOSA-N 2 1 336.442 3.324 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCCCC2)CCC[C@]1(O)C(F)(F)F ZINC001205922941 1370912207 /nfs/dbraw/zinc/91/22/07/1370912207.db2.gz DWXRFWNHJCTHQY-GOEBONIOSA-N 2 1 336.442 3.324 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC001205925042 1370912820 /nfs/dbraw/zinc/91/28/20/1370912820.db2.gz VGQRAPSHYZYMQL-VQIMIIECSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC001205925042 1370912826 /nfs/dbraw/zinc/91/28/26/1370912826.db2.gz VGQRAPSHYZYMQL-VQIMIIECSA-N 2 1 325.456 3.220 20 0 EGADMP Cc1nc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Br)s1 ZINC001206012629 1370938031 /nfs/dbraw/zinc/93/80/31/1370938031.db2.gz NFELKKFBNFBSDC-GXSJLCMTSA-N 2 1 332.311 3.021 20 0 EGADMP Cc1nc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Br)s1 ZINC001206012629 1370938033 /nfs/dbraw/zinc/93/80/33/1370938033.db2.gz NFELKKFBNFBSDC-GXSJLCMTSA-N 2 1 332.311 3.021 20 0 EGADMP C[C@H]1C[N@H+](Cc2ncc(Cl)cc2Br)CCC[C@H]1C[NH3+] ZINC001206025675 1370942237 /nfs/dbraw/zinc/94/22/37/1370942237.db2.gz OWNPEBGVYUGEDL-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ncc(Cl)cc2Br)CCC[C@H]1C[NH3+] ZINC001206025675 1370942240 /nfs/dbraw/zinc/94/22/40/1370942240.db2.gz OWNPEBGVYUGEDL-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(O)cc2OC(F)(F)F)CCC[C@H]1C[NH3+] ZINC001206025072 1370942258 /nfs/dbraw/zinc/94/22/58/1370942258.db2.gz MBSVAZJUZBXZMU-NEPJUHHUSA-N 2 1 332.366 3.098 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ncc(Cl)cc2Br)CCC[C@H]1C[NH3+] ZINC001206025674 1370942565 /nfs/dbraw/zinc/94/25/65/1370942565.db2.gz OWNPEBGVYUGEDL-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ncc(Cl)cc2Br)CCC[C@H]1C[NH3+] ZINC001206025674 1370942571 /nfs/dbraw/zinc/94/25/71/1370942571.db2.gz OWNPEBGVYUGEDL-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP CCSc1ncc2cccc(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)n21 ZINC001206036694 1370944506 /nfs/dbraw/zinc/94/45/06/1370944506.db2.gz OCENMEPKWBGJDB-GJZGRUSLSA-N 2 1 332.517 3.253 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]CCCC3CCCC3)CC2)C1 ZINC001206275252 1371010172 /nfs/dbraw/zinc/01/01/72/1371010172.db2.gz QOSLCDNEOFQXFP-GOSISDBHSA-N 2 1 349.563 3.127 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC001117112718 1371012271 /nfs/dbraw/zinc/01/22/71/1371012271.db2.gz NWNOZLOOBRNIJR-WBVHZDCISA-N 2 1 334.504 3.265 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCc2cccc(Br)c2)CC1 ZINC001206296008 1371014280 /nfs/dbraw/zinc/01/42/80/1371014280.db2.gz OLIXHIDZBVJRTC-MRXNPFEDSA-N 2 1 325.294 3.443 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304922 1371016869 /nfs/dbraw/zinc/01/68/69/1371016869.db2.gz RPHVJPYGTQVMKF-FQEVSTJZSA-N 2 1 326.488 3.440 20 0 EGADMP COc1cc(Br)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206317462 1371019778 /nfs/dbraw/zinc/01/97/78/1371019778.db2.gz GCJZDBVADITVJF-MRXNPFEDSA-N 2 1 341.293 3.409 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccnc(Cl)c2Br)CC1 ZINC001206319142 1371020023 /nfs/dbraw/zinc/02/00/23/1371020023.db2.gz YEDARMWWMUAGDX-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccnc(Cl)c2Br)CC1 ZINC001206319142 1371020025 /nfs/dbraw/zinc/02/00/25/1371020025.db2.gz YEDARMWWMUAGDX-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Br)c(O)c2)CC1 ZINC001206327057 1371023772 /nfs/dbraw/zinc/02/37/72/1371023772.db2.gz RVCPWGSMRZONSG-OAHLLOKOSA-N 2 1 327.266 3.106 20 0 EGADMP Cc1ncc(Br)cc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206337945 1371026397 /nfs/dbraw/zinc/02/63/97/1371026397.db2.gz XCGFQROUDRISIZ-OAHLLOKOSA-N 2 1 326.282 3.103 20 0 EGADMP [NH3+]C[C@]1(F)CCCCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001206335256 1371026624 /nfs/dbraw/zinc/02/66/24/1371026624.db2.gz DDWQXCJLRDUOBX-WOJBJXKFSA-N 2 1 333.495 3.052 20 0 EGADMP Cc1ccc(C[NH+]2CCC(CC[NH3+])CC2)c(F)c1Br ZINC001206506533 1371077051 /nfs/dbraw/zinc/07/70/51/1371077051.db2.gz FLEYUPJKZMJYNG-UHFFFAOYSA-N 2 1 329.257 3.457 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](OCC[NH+]4CCCCC4)[C@@H]3C2)cc1 ZINC001206718061 1371143613 /nfs/dbraw/zinc/14/36/13/1371143613.db2.gz MXTROEQEBNGYPV-HBMCJLEFSA-N 2 1 328.500 3.400 20 0 EGADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc2c1NC(C)(C)C=C2 ZINC001206812535 1371177550 /nfs/dbraw/zinc/17/75/50/1371177550.db2.gz ZGUGVVAEFWOXAW-LSDHHAIUSA-N 2 1 329.488 3.472 20 0 EGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc2c1NC(C)(C)C=C2 ZINC001206812533 1371177970 /nfs/dbraw/zinc/17/79/70/1371177970.db2.gz ZGUGVVAEFWOXAW-GJZGRUSLSA-N 2 1 329.488 3.472 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001206889132 1371208911 /nfs/dbraw/zinc/20/89/11/1371208911.db2.gz BUMPYDNLXSBDKB-UHFFFAOYSA-N 2 1 325.541 3.127 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001206952301 1371242372 /nfs/dbraw/zinc/24/23/72/1371242372.db2.gz IVZCOPMPJGMQHP-UEKDZROGSA-N 2 1 335.536 3.045 20 0 EGADMP Cc1ncccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001207148970 1371310990 /nfs/dbraw/zinc/31/09/90/1371310990.db2.gz DPMQOOZOTSPLKI-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001207187297 1371324740 /nfs/dbraw/zinc/32/47/40/1371324740.db2.gz PJDOYKYOOSCIDJ-OJAHFUOMSA-N 2 1 347.934 3.154 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H](C(=O)OCc2ccccc2)C1 ZINC001207284095 1371350845 /nfs/dbraw/zinc/35/08/45/1371350845.db2.gz IHZLBFHPDGVVMP-SFHVURJKSA-N 2 1 332.488 3.030 20 0 EGADMP C[NH+](C)CC(C)(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccccc2)C1 ZINC001207289020 1371352439 /nfs/dbraw/zinc/35/24/39/1371352439.db2.gz YLPJXPZZGXIDHO-OAQYLSRUSA-N 2 1 329.532 3.315 20 0 EGADMP Cc1noc([C@H]2CC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001207292384 1371352649 /nfs/dbraw/zinc/35/26/49/1371352649.db2.gz QNEPCWIHNKBFIC-IBGZPJMESA-N 2 1 340.471 3.080 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCC[C@@]4(CCOC4)C3)CC2)cc1 ZINC001207289695 1371352954 /nfs/dbraw/zinc/35/29/54/1371352954.db2.gz WHIPRVBTJVQQRX-OAQYLSRUSA-N 2 1 328.500 3.401 20 0 EGADMP O=C1CC[C@@]2(CCC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)O1 ZINC001207294386 1371353775 /nfs/dbraw/zinc/35/37/75/1371353775.db2.gz QARRAIFWHMLPDE-OAQYLSRUSA-N 2 1 342.483 3.070 20 0 EGADMP CCC[N@H+](CC(=O)OCC)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207294349 1371353878 /nfs/dbraw/zinc/35/38/78/1371353878.db2.gz PVHICDILYLAHRA-UHFFFAOYSA-N 2 1 332.488 3.174 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCN(C(=O)OC(C)(C)C)C3=CCCC[C@@H]32)CC1 ZINC001207402943 1371386360 /nfs/dbraw/zinc/38/63/60/1371386360.db2.gz PFOFFCJSKSMMFK-KRWDZBQOSA-N 2 1 349.519 3.317 20 0 EGADMP C[N@@H+](CCC1CC[NH+](C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207482587 1371409370 /nfs/dbraw/zinc/40/93/70/1371409370.db2.gz YHQMFBIMWMOAFM-QGZVFWFLSA-N 2 1 339.524 3.050 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568066 1371437937 /nfs/dbraw/zinc/43/79/37/1371437937.db2.gz NEEBQTXKLYUJDM-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207568066 1371437939 /nfs/dbraw/zinc/43/79/39/1371437939.db2.gz NEEBQTXKLYUJDM-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207568066 1371437943 /nfs/dbraw/zinc/43/79/43/1371437943.db2.gz NEEBQTXKLYUJDM-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C/CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120010677 1371454401 /nfs/dbraw/zinc/45/44/01/1371454401.db2.gz UHTUTIKUWXCXRQ-SHCNBLLESA-N 2 1 335.536 3.093 20 0 EGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc4nonc4c3)CC2)C1 ZINC001207745311 1371492664 /nfs/dbraw/zinc/49/26/64/1371492664.db2.gz MRLPJNDBXANONC-PBHICJAKSA-N 2 1 328.460 3.356 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCCC1 ZINC001120207768 1371504579 /nfs/dbraw/zinc/50/45/79/1371504579.db2.gz FCSPYTDSDMODTG-GOSISDBHSA-N 2 1 339.568 3.418 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001120207901 1371505373 /nfs/dbraw/zinc/50/53/73/1371505373.db2.gz LHZCTQTXHOTQCU-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CCCO3)C[C@H]21 ZINC001207852027 1371519776 /nfs/dbraw/zinc/51/97/76/1371519776.db2.gz BZQQBTISJPJUKJ-PSBWJHGTSA-N 2 1 334.529 3.459 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCCO3)C[C@H]21 ZINC001207852027 1371519780 /nfs/dbraw/zinc/51/97/80/1371519780.db2.gz BZQQBTISJPJUKJ-PSBWJHGTSA-N 2 1 334.529 3.459 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCO3)C[C@H]21 ZINC001207852027 1371519783 /nfs/dbraw/zinc/51/97/83/1371519783.db2.gz BZQQBTISJPJUKJ-PSBWJHGTSA-N 2 1 334.529 3.459 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CC(C)C)C1 ZINC001120401498 1371561913 /nfs/dbraw/zinc/56/19/13/1371561913.db2.gz KEFMUECEGVJNOY-ZWKOTPCHSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001120401498 1371561915 /nfs/dbraw/zinc/56/19/15/1371561915.db2.gz KEFMUECEGVJNOY-ZWKOTPCHSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001120401498 1371561916 /nfs/dbraw/zinc/56/19/16/1371561916.db2.gz KEFMUECEGVJNOY-ZWKOTPCHSA-N 2 1 337.552 3.076 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001120401497 1371562574 /nfs/dbraw/zinc/56/25/74/1371562574.db2.gz KEFMUECEGVJNOY-ROUUACIJSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001120401497 1371562580 /nfs/dbraw/zinc/56/25/80/1371562580.db2.gz KEFMUECEGVJNOY-ROUUACIJSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001120401497 1371562583 /nfs/dbraw/zinc/56/25/83/1371562583.db2.gz KEFMUECEGVJNOY-ROUUACIJSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001208013894 1371568050 /nfs/dbraw/zinc/56/80/50/1371568050.db2.gz KWLBSNOMJFGVCL-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001120462279 1371585025 /nfs/dbraw/zinc/58/50/25/1371585025.db2.gz WAVCXDNEWRNIMO-VQTJNVASSA-N 2 1 349.563 3.366 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001208073562 1371588032 /nfs/dbraw/zinc/58/80/32/1371588032.db2.gz LMXLCWUXIHZKBK-IKSUFZCESA-N 2 1 346.519 3.334 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@@H]([NH2+]CCC(C)C)C1 ZINC001208073951 1371588676 /nfs/dbraw/zinc/58/86/76/1371588676.db2.gz QOYHPYXJOULWSU-DLBZAZTESA-N 2 1 334.508 3.023 20 0 EGADMP CC/C=C\CCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001208135156 1371606923 /nfs/dbraw/zinc/60/69/23/1371606923.db2.gz BSIOIKZMJIPTQQ-ZOYAEOFMSA-N 2 1 345.535 3.198 20 0 EGADMP CC/C=C\CCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001208135156 1371606928 /nfs/dbraw/zinc/60/69/28/1371606928.db2.gz BSIOIKZMJIPTQQ-ZOYAEOFMSA-N 2 1 345.535 3.198 20 0 EGADMP CC/C=C\CCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001208135156 1371606932 /nfs/dbraw/zinc/60/69/32/1371606932.db2.gz BSIOIKZMJIPTQQ-ZOYAEOFMSA-N 2 1 345.535 3.198 20 0 EGADMP COc1ccc(CC[N@@H+](C[C@@H](C)O)CC2(C[NH+](C)C)CCCC2)cc1 ZINC001208185255 1371627936 /nfs/dbraw/zinc/62/79/36/1371627936.db2.gz ZCAWWPQXEMOLAS-GOSISDBHSA-N 2 1 348.531 3.043 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C)[NH+](CC)CC ZINC001208575658 1371824244 /nfs/dbraw/zinc/82/42/44/1371824244.db2.gz SFHKQOPVSXZVLH-BHIYHBOVSA-N 2 1 337.552 3.124 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CC[NH+](CC3CC3)CC2)cc1 ZINC001208589162 1371830116 /nfs/dbraw/zinc/83/01/16/1371830116.db2.gz RZYUKHNKXJHLSZ-OAQYLSRUSA-N 2 1 327.516 3.069 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC001208602746 1371836236 /nfs/dbraw/zinc/83/62/36/1371836236.db2.gz MCKTVGJKODHEJO-NVXWUHKLSA-N 2 1 339.524 3.096 20 0 EGADMP COc1cccc(OCC2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC001208616468 1371843221 /nfs/dbraw/zinc/84/32/21/1371843221.db2.gz LGDQTDPWSGAWMJ-GOSISDBHSA-N 2 1 332.488 3.128 20 0 EGADMP COC1CC[NH+](C2CC[NH+](C[C@H](C)OCc3ccccc3)CC2)CC1 ZINC001208704139 1371868592 /nfs/dbraw/zinc/86/85/92/1371868592.db2.gz IVFKFVIGHSAUGR-SFHVURJKSA-N 2 1 346.515 3.167 20 0 EGADMP CC[N@@H+]1C[C@H]2CN(CCCc3ccccc3Br)C[C@H]2C1 ZINC001208847927 1371916076 /nfs/dbraw/zinc/91/60/76/1371916076.db2.gz IHELZRUFSOZQLE-IYBDPMFKSA-N 2 1 337.305 3.265 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@@H+](CCCc3ccc(C(=O)OCC)cc3)C[C@@H]2C1 ZINC001208867574 1371924123 /nfs/dbraw/zinc/92/41/23/1371924123.db2.gz NUCKEUVNLHTASZ-BGYRXZFFSA-N 2 1 344.499 3.070 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@H+](CCCc3ccc(C(=O)OCC)cc3)C[C@@H]2C1 ZINC001208867574 1371924128 /nfs/dbraw/zinc/92/41/28/1371924128.db2.gz NUCKEUVNLHTASZ-BGYRXZFFSA-N 2 1 344.499 3.070 20 0 EGADMP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001121347865 1371945766 /nfs/dbraw/zinc/94/57/66/1371945766.db2.gz PNRSRKRQUSXGOD-MBEFBZSESA-N 2 1 349.563 3.170 20 0 EGADMP CC[N@@H+](C)C1CCN(C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208944306 1371957627 /nfs/dbraw/zinc/95/76/27/1371957627.db2.gz PFGDTXXCROYJFP-HXUWFJFHSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+](C)C1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208944306 1371957633 /nfs/dbraw/zinc/95/76/33/1371957633.db2.gz PFGDTXXCROYJFP-HXUWFJFHSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+](C)C1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208944306 1371957636 /nfs/dbraw/zinc/95/76/36/1371957636.db2.gz PFGDTXXCROYJFP-HXUWFJFHSA-N 2 1 329.532 3.315 20 0 EGADMP CCOC(=O)[C@H]1CCCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208953649 1371960222 /nfs/dbraw/zinc/96/02/22/1371960222.db2.gz RFHFQGJBPTUCOB-UXHICEINSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)[C@H]1CCCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208953649 1371960226 /nfs/dbraw/zinc/96/02/26/1371960226.db2.gz RFHFQGJBPTUCOB-UXHICEINSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)[C@H]1CCCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208953649 1371960229 /nfs/dbraw/zinc/96/02/29/1371960229.db2.gz RFHFQGJBPTUCOB-UXHICEINSA-N 2 1 344.499 3.174 20 0 EGADMP CCCCOC(=O)[C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208962972 1371963423 /nfs/dbraw/zinc/96/34/23/1371963423.db2.gz NBMLNSJYBBZATL-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP CCCCOC(=O)[C@@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208962972 1371963425 /nfs/dbraw/zinc/96/34/25/1371963425.db2.gz NBMLNSJYBBZATL-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP CCCCOC(=O)[C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208962972 1371963431 /nfs/dbraw/zinc/96/34/31/1371963431.db2.gz NBMLNSJYBBZATL-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)CC[N@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001209035582 1371979601 /nfs/dbraw/zinc/97/96/01/1371979601.db2.gz YQCMYMPPEDSMFL-BJLQDIEVSA-N 2 1 330.472 3.050 20 0 EGADMP CCOC(=O)CC[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001209035582 1371979603 /nfs/dbraw/zinc/97/96/03/1371979603.db2.gz YQCMYMPPEDSMFL-BJLQDIEVSA-N 2 1 330.472 3.050 20 0 EGADMP CCOC(=O)CC[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001209035582 1371979608 /nfs/dbraw/zinc/97/96/08/1371979608.db2.gz YQCMYMPPEDSMFL-BJLQDIEVSA-N 2 1 330.472 3.050 20 0 EGADMP CCOC(=O)CC[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001209035582 1371979610 /nfs/dbraw/zinc/97/96/10/1371979610.db2.gz YQCMYMPPEDSMFL-BJLQDIEVSA-N 2 1 330.472 3.050 20 0 EGADMP CC(C)[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001121462900 1371983177 /nfs/dbraw/zinc/98/31/77/1371983177.db2.gz OZODZXYCXYQWFI-UHFFFAOYSA-N 2 1 335.536 3.066 20 0 EGADMP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001121628148 1372030484 /nfs/dbraw/zinc/03/04/84/1372030484.db2.gz CVHNPBHZPQVTGF-YQTQZHKRSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209223920 1372042032 /nfs/dbraw/zinc/04/20/32/1372042032.db2.gz XDTYLNVUJKZHNU-ICSRJNTNSA-N 2 1 347.547 3.330 20 0 EGADMP c1csc(CC[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001209224634 1372042868 /nfs/dbraw/zinc/04/28/68/1372042868.db2.gz IMZJSYYCAXLUMQ-UHFFFAOYSA-N 2 1 344.528 3.031 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](CCOc4ccccc4)C[C@@H]3C2)cc1 ZINC001209296909 1372062579 /nfs/dbraw/zinc/06/25/79/1372062579.db2.gz LHKBMZLIWKCCEH-NHCUHLMSSA-N 2 1 336.479 3.438 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001326404145 1388178275 /nfs/dbraw/zinc/17/82/75/1388178275.db2.gz PBVKHBJMTDDTKV-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C[C@H]4C[C@H]4C)CC3)C2)cc1 ZINC001209411605 1372098229 /nfs/dbraw/zinc/09/82/29/1372098229.db2.gz CTVIIQXSKVFCAI-UYAOXDASSA-N 2 1 328.500 3.318 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001121848933 1372101276 /nfs/dbraw/zinc/10/12/76/1372101276.db2.gz TVCFHNXOHVIJEM-UEBDJUODSA-N 2 1 346.519 3.070 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1CCC[NH+]1CCCCC1 ZINC001209448430 1372108100 /nfs/dbraw/zinc/10/81/00/1372108100.db2.gz RENWIHCWRXNLAL-GOSISDBHSA-N 2 1 333.495 3.208 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1CCC[NH+]1CCCCC1 ZINC001209448430 1372108106 /nfs/dbraw/zinc/10/81/06/1372108106.db2.gz RENWIHCWRXNLAL-GOSISDBHSA-N 2 1 333.495 3.208 20 0 EGADMP O=C1C[C@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)CN1c1ccsc1 ZINC001209451228 1372109499 /nfs/dbraw/zinc/10/94/99/1372109499.db2.gz VIDGGMZIHKFLRC-IBGZPJMESA-N 2 1 347.528 3.053 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC1CCC(C)CC1)C2 ZINC001122106857 1372175677 /nfs/dbraw/zinc/17/56/77/1372175677.db2.gz SOAODGAMVQYXGS-UHFFFAOYSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)Cc1cccc(Br)c1 ZINC001209846172 1372211950 /nfs/dbraw/zinc/21/19/50/1372211950.db2.gz QWMNYMQHPGCYPG-BXUZGUMPSA-N 2 1 347.247 3.372 20 0 EGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)Cc1cccc(Br)c1 ZINC001209846172 1372211954 /nfs/dbraw/zinc/21/19/54/1372211954.db2.gz QWMNYMQHPGCYPG-BXUZGUMPSA-N 2 1 347.247 3.372 20 0 EGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209891346 1372224424 /nfs/dbraw/zinc/22/44/24/1372224424.db2.gz BVEJFDPVOQLIFH-KRWDZBQOSA-N 2 1 334.508 3.167 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209932830 1372235210 /nfs/dbraw/zinc/23/52/10/1372235210.db2.gz VIUYBCFNRZVURU-SFHVURJKSA-N 2 1 348.535 3.413 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001209951476 1372240149 /nfs/dbraw/zinc/24/01/49/1372240149.db2.gz LNAMVVLFLHZEFK-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP Clc1cc2ncoc2c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210271554 1372312269 /nfs/dbraw/zinc/31/22/69/1372312269.db2.gz TYNJTPSHIJODJQ-UHFFFAOYSA-N 2 1 329.791 3.029 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1)c1ccc(F)cc1 ZINC001210494810 1372365780 /nfs/dbraw/zinc/36/57/80/1372365780.db2.gz XRBLCMMCOVKFLF-MOPGFXCFSA-N 2 1 349.494 3.199 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cccc3cc(Br)cnc32)CC[NH2+]1 ZINC001210519718 1372371193 /nfs/dbraw/zinc/37/11/93/1372371193.db2.gz RRJIOOVFRGWFOE-GFCCVEGCSA-N 2 1 334.261 3.181 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cccc3cc(Br)cnc32)CC[NH2+]1 ZINC001210519718 1372371196 /nfs/dbraw/zinc/37/11/96/1372371196.db2.gz RRJIOOVFRGWFOE-GFCCVEGCSA-N 2 1 334.261 3.181 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001210584397 1372385070 /nfs/dbraw/zinc/38/50/70/1372385070.db2.gz GYEHLVUONYAFLG-RTBURBONSA-N 2 1 337.552 3.412 20 0 EGADMP c1cc(NC2=CC[C@H]([NH+]3CCCC3)CC2)ccc1C[NH+]1CCOCC1 ZINC001210707884 1372410487 /nfs/dbraw/zinc/41/04/87/1372410487.db2.gz GDMLVNHYFCZWRH-NRFANRHFSA-N 2 1 341.499 3.463 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001210781755 1372425446 /nfs/dbraw/zinc/42/54/46/1372425446.db2.gz BZEMCBGAQDPREL-IBGZPJMESA-N 2 1 345.531 3.034 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001210796962 1372427785 /nfs/dbraw/zinc/42/77/85/1372427785.db2.gz MFGXBLWLRNBUGO-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211300045 1372524199 /nfs/dbraw/zinc/52/41/99/1372524199.db2.gz IPQCDONGAUOFMY-QWFCFKBJSA-N 2 1 343.515 3.060 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211337409 1372533982 /nfs/dbraw/zinc/53/39/82/1372533982.db2.gz OUROMJDUCNKUCQ-AJWBFMOXSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211349613 1372537851 /nfs/dbraw/zinc/53/78/51/1372537851.db2.gz HWUYELUMIKIXDO-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH2+][C@H](C)CC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC001326473655 1388206121 /nfs/dbraw/zinc/20/61/21/1388206121.db2.gz MYKZETCLXXEEOU-RISCZKNCSA-N 2 1 327.266 3.250 20 0 EGADMP C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001211374830 1372544423 /nfs/dbraw/zinc/54/44/23/1372544423.db2.gz PSMJZOAOXQOJMB-BHIYHBOVSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001211374830 1372544426 /nfs/dbraw/zinc/54/44/26/1372544426.db2.gz PSMJZOAOXQOJMB-BHIYHBOVSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211443594 1372559342 /nfs/dbraw/zinc/55/93/42/1372559342.db2.gz DNJHSPXDXHFKMQ-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214855906 1373130397 /nfs/dbraw/zinc/13/03/97/1373130397.db2.gz RGMCVBLWJYLENP-IEVDXQOXSA-N 2 1 349.563 3.432 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214855665 1373130545 /nfs/dbraw/zinc/13/05/45/1373130545.db2.gz KJKWDDBDNKYMRY-GUDVDZBRSA-N 2 1 337.552 3.122 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001216845122 1373350234 /nfs/dbraw/zinc/35/02/34/1373350234.db2.gz YBCIGPDGNDOURS-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001129418950 1373381379 /nfs/dbraw/zinc/38/13/79/1373381379.db2.gz YVTOHVXHPZPYKC-FQEVSTJZSA-N 2 1 345.531 3.279 20 0 EGADMP [NH3+]Cc1cccc(Cc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC001217711073 1373492723 /nfs/dbraw/zinc/49/27/23/1373492723.db2.gz DBHHVSFEWXRFBX-IBGZPJMESA-N 2 1 348.450 3.109 20 0 EGADMP [NH3+]Cc1ccc(CO[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc1 ZINC001217907865 1373511450 /nfs/dbraw/zinc/51/14/50/1373511450.db2.gz DZQATPGIJTVWJS-IBGZPJMESA-N 2 1 328.431 3.466 20 0 EGADMP C[C@@H]1C[NH2+]CC[C@@H]1OC[C@@]1(C)C[N@@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217917316 1373512189 /nfs/dbraw/zinc/51/21/89/1373512189.db2.gz VUVZGZPIGDAGOA-SLYNCCJLSA-N 2 1 346.515 3.071 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(C(=O)C[NH3+])cc1 ZINC001217968442 1373521531 /nfs/dbraw/zinc/52/15/31/1373521531.db2.gz YGYZUAKVJYNWPQ-IERDGZPVSA-N 2 1 338.451 3.117 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(C(=O)C[NH3+])cc1 ZINC001217968442 1373521535 /nfs/dbraw/zinc/52/15/35/1373521535.db2.gz YGYZUAKVJYNWPQ-IERDGZPVSA-N 2 1 338.451 3.117 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001130424822 1373532283 /nfs/dbraw/zinc/53/22/83/1373532283.db2.gz CTMXIYUHDITEGM-INIZCTEOSA-N 2 1 341.499 3.337 20 0 EGADMP C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001218024911 1373540577 /nfs/dbraw/zinc/54/05/77/1373540577.db2.gz QIOAEKWKZZKPNL-LRDDRELGSA-N 2 1 341.293 3.278 20 0 EGADMP C[C@H]([NH3+])c1ccc(O[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001218296797 1373590090 /nfs/dbraw/zinc/59/00/90/1373590090.db2.gz MMVHQOHJIUQGQF-FIKGOQFSSA-N 2 1 340.467 3.375 20 0 EGADMP C[C@H]([NH3+])c1ccc(O[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001218296797 1373590093 /nfs/dbraw/zinc/59/00/93/1373590093.db2.gz MMVHQOHJIUQGQF-FIKGOQFSSA-N 2 1 340.467 3.375 20 0 EGADMP Fc1ccccc1C[N@H+]1CCC[C@H](Oc2cccc3c2C[NH2+]C3)C1 ZINC001218390431 1373605201 /nfs/dbraw/zinc/60/52/01/1373605201.db2.gz JAEFNNHQFLWQMD-KRWDZBQOSA-N 2 1 326.415 3.472 20 0 EGADMP [NH3+]CCc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC001218410603 1373609439 /nfs/dbraw/zinc/60/94/39/1373609439.db2.gz GKBTXPYSGVETRN-LJQANCHMSA-N 2 1 330.859 3.495 20 0 EGADMP C[C@H]([NH3+])c1ncc(C(=O)Nc2ccc(C3CC[NH+](C)CC3)cc2)s1 ZINC001218822546 1373658027 /nfs/dbraw/zinc/65/80/27/1373658027.db2.gz MFZFTOCUADOJAW-LBPRGKRZSA-N 2 1 344.484 3.224 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188245797 1388274509 /nfs/dbraw/zinc/27/45/09/1388274509.db2.gz AXHCZCXAMRNEQS-UVRCQCPESA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001188245797 1388274512 /nfs/dbraw/zinc/27/45/12/1388274512.db2.gz AXHCZCXAMRNEQS-UVRCQCPESA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001188245797 1388274516 /nfs/dbraw/zinc/27/45/16/1388274516.db2.gz AXHCZCXAMRNEQS-UVRCQCPESA-N 2 1 347.547 3.140 20 0 EGADMP Cc1ccc(C[NH2+]CCNC(=O)CC[N@H+](C)C2CCCCC2)c(C)c1 ZINC001131815820 1373819666 /nfs/dbraw/zinc/81/96/66/1373819666.db2.gz VGYQFBQFACXDCL-UHFFFAOYSA-N 2 1 345.531 3.164 20 0 EGADMP COCCCOc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001222272222 1373823039 /nfs/dbraw/zinc/82/30/39/1373823039.db2.gz OMQOZMYQCVALSC-HXUWFJFHSA-N 2 1 332.488 3.068 20 0 EGADMP COCCCOc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001222272222 1373823041 /nfs/dbraw/zinc/82/30/41/1373823041.db2.gz OMQOZMYQCVALSC-HXUWFJFHSA-N 2 1 332.488 3.068 20 0 EGADMP CC/C=C/CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001224795074 1375077665 /nfs/dbraw/zinc/07/76/65/1375077665.db2.gz CWQCNRICZKHOKA-WGLWSTOQSA-N 2 1 347.547 3.188 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)CC[C@H]2C)cs1 ZINC001132105344 1375150822 /nfs/dbraw/zinc/15/08/22/1375150822.db2.gz FPQOFGYYFQTRIJ-RHSMWYFYSA-N 2 1 349.544 3.010 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCC1CCCCC1 ZINC001132106430 1375151492 /nfs/dbraw/zinc/15/14/92/1375151492.db2.gz UICKDXDBNRYLGX-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCC1CCCCC1 ZINC001132106430 1375151494 /nfs/dbraw/zinc/15/14/94/1375151494.db2.gz UICKDXDBNRYLGX-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCC1CCCCC1 ZINC001132106430 1375151495 /nfs/dbraw/zinc/15/14/95/1375151495.db2.gz UICKDXDBNRYLGX-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CC[C@H]3C[N@@H+](CCC(C)(C)C)C[C@H]32)CCCC1 ZINC001188690548 1388361219 /nfs/dbraw/zinc/36/12/19/1388361219.db2.gz OFSYVWYMZXZIMZ-ZWKOTPCHSA-N 2 1 349.563 3.220 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188691306 1388361419 /nfs/dbraw/zinc/36/14/19/1388361419.db2.gz XRMLRXNFAODBMP-OBNUAKFSSA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132152697 1375172426 /nfs/dbraw/zinc/17/24/26/1375172426.db2.gz HUFWLTOMZMQDCU-NDZBKKTDSA-N 2 1 337.552 3.432 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132152697 1375172428 /nfs/dbraw/zinc/17/24/28/1375172428.db2.gz HUFWLTOMZMQDCU-NDZBKKTDSA-N 2 1 337.552 3.432 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132152697 1375172431 /nfs/dbraw/zinc/17/24/31/1375172431.db2.gz HUFWLTOMZMQDCU-NDZBKKTDSA-N 2 1 337.552 3.432 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(C)cc2)C1 ZINC001132154064 1375174408 /nfs/dbraw/zinc/17/44/08/1375174408.db2.gz WONXLYPNCPXWMZ-PKOBYXMFSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C)cc2)C1 ZINC001132154064 1375174410 /nfs/dbraw/zinc/17/44/10/1375174410.db2.gz WONXLYPNCPXWMZ-PKOBYXMFSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)cc2)C1 ZINC001132154064 1375174412 /nfs/dbraw/zinc/17/44/12/1375174412.db2.gz WONXLYPNCPXWMZ-PKOBYXMFSA-N 2 1 345.531 3.194 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001327004939 1388364072 /nfs/dbraw/zinc/36/40/72/1388364072.db2.gz OJHAPYTYUZJMJG-UHFFFAOYSA-N 2 1 340.471 3.051 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC2CCC2)CC[N@H+]1C ZINC001226342130 1375242802 /nfs/dbraw/zinc/24/28/02/1375242802.db2.gz SAUUIEJTXAPDIM-MTQWCTHYSA-N 2 1 349.563 3.314 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001132264747 1375254601 /nfs/dbraw/zinc/25/46/01/1375254601.db2.gz BAHMCKDHRPDRJW-WBVHZDCISA-N 2 1 335.492 3.114 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001132264747 1375254605 /nfs/dbraw/zinc/25/46/05/1375254605.db2.gz BAHMCKDHRPDRJW-WBVHZDCISA-N 2 1 335.492 3.114 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl ZINC001226766678 1375329410 /nfs/dbraw/zinc/32/94/10/1375329410.db2.gz NGLNPDZCBMAUCL-PPDIFPAASA-N 2 1 341.927 3.019 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132409649 1375358170 /nfs/dbraw/zinc/35/81/70/1375358170.db2.gz CIIJJGSHRLWEJL-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCC(C)(C)C)C1 ZINC001132409649 1375358174 /nfs/dbraw/zinc/35/81/74/1375358174.db2.gz CIIJJGSHRLWEJL-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC(C)(C)C)C1 ZINC001132409649 1375358178 /nfs/dbraw/zinc/35/81/78/1375358178.db2.gz CIIJJGSHRLWEJL-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1Cc1ccccc1F ZINC001132432058 1375377149 /nfs/dbraw/zinc/37/71/49/1375377149.db2.gz AXKDPMOEPSOMQT-SJLPKXTDSA-N 2 1 349.494 3.027 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132432598 1375377628 /nfs/dbraw/zinc/37/76/28/1375377628.db2.gz FDLZSOUTMKIRLZ-MSOLQXFVSA-N 2 1 325.541 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](C/C=C\c2ccccc2)C1 ZINC001132435379 1375380017 /nfs/dbraw/zinc/38/00/17/1375380017.db2.gz CICVJJUAPRDVJE-QQXWZLKESA-N 2 1 343.515 3.011 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](C/C=C\c2ccccc2)C1 ZINC001132435379 1375380021 /nfs/dbraw/zinc/38/00/21/1375380021.db2.gz CICVJJUAPRDVJE-QQXWZLKESA-N 2 1 343.515 3.011 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](C/C=C\c2ccccc2)C1 ZINC001132435379 1375380027 /nfs/dbraw/zinc/38/00/27/1375380027.db2.gz CICVJJUAPRDVJE-QQXWZLKESA-N 2 1 343.515 3.011 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC2CC3(CCC3)C2)C1 ZINC001132436380 1375380726 /nfs/dbraw/zinc/38/07/26/1375380726.db2.gz LCAFGVGNXKYMMJ-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CC3(CCC3)C2)C1 ZINC001132436380 1375380731 /nfs/dbraw/zinc/38/07/31/1375380731.db2.gz LCAFGVGNXKYMMJ-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001132436380 1375380736 /nfs/dbraw/zinc/38/07/36/1375380736.db2.gz LCAFGVGNXKYMMJ-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CCCC2CCC2)C1 ZINC001132437046 1375381604 /nfs/dbraw/zinc/38/16/04/1375381604.db2.gz PMDSXTFEOQGZOK-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCC2CCC2)C1 ZINC001132437046 1375381612 /nfs/dbraw/zinc/38/16/12/1375381612.db2.gz PMDSXTFEOQGZOK-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC2CCC2)C1 ZINC001132437046 1375381615 /nfs/dbraw/zinc/38/16/15/1375381615.db2.gz PMDSXTFEOQGZOK-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132441418 1375385755 /nfs/dbraw/zinc/38/57/55/1375385755.db2.gz OOCDYGKIEFPLQH-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001132441418 1375385759 /nfs/dbraw/zinc/38/57/59/1375385759.db2.gz OOCDYGKIEFPLQH-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001132441418 1375385764 /nfs/dbraw/zinc/38/57/64/1375385764.db2.gz OOCDYGKIEFPLQH-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]2C)c1 ZINC001132517416 1375436426 /nfs/dbraw/zinc/43/64/26/1375436426.db2.gz CBYNOUQYUZMERV-QUCCMNQESA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)c1 ZINC001132517416 1375436431 /nfs/dbraw/zinc/43/64/31/1375436431.db2.gz CBYNOUQYUZMERV-QUCCMNQESA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C)c(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)c1 ZINC001132517416 1375436440 /nfs/dbraw/zinc/43/64/40/1375436440.db2.gz CBYNOUQYUZMERV-QUCCMNQESA-N 2 1 345.531 3.113 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC001132519266 1375437463 /nfs/dbraw/zinc/43/74/63/1375437463.db2.gz VUPQMNVRKPBAOP-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[N@H+]1CCC1CC1 ZINC001132549551 1375456049 /nfs/dbraw/zinc/45/60/49/1375456049.db2.gz UVBQXOGODWJPOF-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC(C)C)C1 ZINC001228138716 1375519728 /nfs/dbraw/zinc/51/97/28/1375519728.db2.gz WWPDMDWVDQZGIO-GUDVDZBRSA-N 2 1 337.552 3.172 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001228138857 1375520305 /nfs/dbraw/zinc/52/03/05/1375520305.db2.gz YNFYZTPSTPMGBQ-GUDVDZBRSA-N 2 1 337.552 3.316 20 0 EGADMP CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133012695 1375711205 /nfs/dbraw/zinc/71/12/05/1375711205.db2.gz UNGSBXVUKGOEAA-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133122721 1375787555 /nfs/dbraw/zinc/78/75/55/1375787555.db2.gz UQQGMDDYYAEYLO-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CCC/C=C/CC[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001229616436 1375865522 /nfs/dbraw/zinc/86/55/22/1375865522.db2.gz LIADMQWEEMKPIP-AATRIKPKSA-N 2 1 346.519 3.299 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(CC)CC)C1 ZINC001133263011 1375879508 /nfs/dbraw/zinc/87/95/08/1375879508.db2.gz NOXXWPVRFOLNMC-MJGOQNOKSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001230107468 1375943614 /nfs/dbraw/zinc/94/36/14/1375943614.db2.gz GOUNMUIERXFVFO-MRXNPFEDSA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc(F)c1 ZINC001230274681 1375980839 /nfs/dbraw/zinc/98/08/39/1375980839.db2.gz FSSPDCZZNZYTCE-ATZDWAIDSA-N 2 1 349.494 3.244 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C ZINC001230274647 1375981292 /nfs/dbraw/zinc/98/12/92/1375981292.db2.gz DRMVAOOSYFIQPO-KZNAEPCWSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC001230280269 1375982136 /nfs/dbraw/zinc/98/21/36/1375982136.db2.gz RWTPPMXSQNFXMU-KBAGWLGSSA-N 2 1 343.515 3.057 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001230597952 1376093667 /nfs/dbraw/zinc/09/36/67/1376093667.db2.gz ARLFVEDHJGFNQG-PXIXMTEYSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001230621941 1376105251 /nfs/dbraw/zinc/10/52/51/1376105251.db2.gz JCIAJNXKNJCDLH-WUUFJKRQSA-N 2 1 347.547 3.142 20 0 EGADMP C[N@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1cncc(Br)c1 ZINC001232012738 1376381089 /nfs/dbraw/zinc/38/10/89/1376381089.db2.gz PXVISVFLMUJNFQ-UHFFFAOYSA-N 2 1 331.217 3.352 20 0 EGADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1cncc(Br)c1 ZINC001232012738 1376381091 /nfs/dbraw/zinc/38/10/91/1376381091.db2.gz PXVISVFLMUJNFQ-UHFFFAOYSA-N 2 1 331.217 3.352 20 0 EGADMP c1c2c[nH+]ccc2[nH]c1CN1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001232012749 1376381559 /nfs/dbraw/zinc/38/15/59/1376381559.db2.gz QDUAWKZSYYTWDE-BGYRXZFFSA-N 2 1 332.451 3.412 20 0 EGADMP O=C1c2ccccc2CN1[C@@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232019137 1376385762 /nfs/dbraw/zinc/38/57/62/1376385762.db2.gz WQZWLRVNHMEPIV-GOSISDBHSA-N 2 1 346.434 3.183 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1 ZINC001232146672 1376408251 /nfs/dbraw/zinc/40/82/51/1376408251.db2.gz XXMSHSJKUQZCSZ-UHFFFAOYSA-N 2 1 330.403 3.248 20 0 EGADMP CCOc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c(C)n1 ZINC001232307401 1376435443 /nfs/dbraw/zinc/43/54/43/1376435443.db2.gz CKVLCZPAQOFUIU-UHFFFAOYSA-N 2 1 340.471 3.231 20 0 EGADMP FC(F)(F)c1ccc(C[N@@H+]2CCc3nccn3CC2)c(Cl)n1 ZINC001232794679 1376515841 /nfs/dbraw/zinc/51/58/41/1376515841.db2.gz SQXQXKGPVBKIKE-UHFFFAOYSA-N 2 1 330.741 3.009 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC001134774531 1376714107 /nfs/dbraw/zinc/71/41/07/1376714107.db2.gz ZFRFLJXMQVKQSM-CVEARBPZSA-N 2 1 325.541 3.170 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)[NH2+]CCC1CC1 ZINC001134791014 1376723701 /nfs/dbraw/zinc/72/37/01/1376723701.db2.gz MOEWGEKXLPHXDA-CVEARBPZSA-N 2 1 337.552 3.312 20 0 EGADMP Fc1ccc(COc2ccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235025159 1376829750 /nfs/dbraw/zinc/82/97/50/1376829750.db2.gz XEQCNIQATNRXIN-UHFFFAOYSA-N 2 1 326.415 3.200 20 0 EGADMP Fc1ccc(COc2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235025159 1376829767 /nfs/dbraw/zinc/82/97/67/1376829767.db2.gz XEQCNIQATNRXIN-UHFFFAOYSA-N 2 1 326.415 3.200 20 0 EGADMP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235031221 1376832115 /nfs/dbraw/zinc/83/21/15/1376832115.db2.gz DQGQUEGFUDTDSQ-QFIPXVFZSA-N 2 1 346.478 3.495 20 0 EGADMP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235031221 1376832119 /nfs/dbraw/zinc/83/21/19/1376832119.db2.gz DQGQUEGFUDTDSQ-QFIPXVFZSA-N 2 1 346.478 3.495 20 0 EGADMP c1ccc(Cc2ccc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235041530 1376838806 /nfs/dbraw/zinc/83/88/06/1376838806.db2.gz RFYAHEQDIUKVKS-FGZHOGPDSA-N 2 1 336.479 3.088 20 0 EGADMP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020643 1376850287 /nfs/dbraw/zinc/85/02/87/1376850287.db2.gz IONGVCLTJOVYLY-IAGOWNOFSA-N 2 1 348.535 3.215 20 0 EGADMP CC1([NH+]2CCN(Cc3c[nH]c4ccc(Cl)cc34)CC2)CC[NH2+]CC1 ZINC001235814963 1376897723 /nfs/dbraw/zinc/89/77/23/1376897723.db2.gz HNZUELQTZGUNOL-UHFFFAOYSA-N 2 1 346.906 3.081 20 0 EGADMP CC1(N2CC[NH+](Cc3c[nH]c4ccc(Cl)cc34)CC2)CC[NH2+]CC1 ZINC001235814963 1376897726 /nfs/dbraw/zinc/89/77/26/1376897726.db2.gz HNZUELQTZGUNOL-UHFFFAOYSA-N 2 1 346.906 3.081 20 0 EGADMP Fc1ccc(CN(Cc2[nH+]cn3ccccc23)[C@H]2CCC[NH2+]C2)cc1 ZINC001236388044 1376952012 /nfs/dbraw/zinc/95/20/12/1376952012.db2.gz BFHLZZYHCUSYPR-SFHVURJKSA-N 2 1 338.430 3.228 20 0 EGADMP COc1ccccc1C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236702003 1376961999 /nfs/dbraw/zinc/96/19/99/1376961999.db2.gz VZEJHOXBASVSCU-MXVIHJGJSA-N 3 1 345.531 3.157 20 0 EGADMP CCC[N@@H+](Cc1cccnc1OCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001236844357 1376965374 /nfs/dbraw/zinc/96/53/74/1376965374.db2.gz UQEKTHOYMPFBJG-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP CCC[N@H+](Cc1cccnc1OCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001236844357 1376965394 /nfs/dbraw/zinc/96/53/94/1376965394.db2.gz UQEKTHOYMPFBJG-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP COc1ccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c(Cl)n1 ZINC001237804647 1376988448 /nfs/dbraw/zinc/98/84/48/1376988448.db2.gz WOOXLDLGCOKPTE-UHFFFAOYSA-N 2 1 337.895 3.297 20 0 EGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246162041 1377050355 /nfs/dbraw/zinc/05/03/55/1377050355.db2.gz WHMQICXTNMGPKR-FSPWUOQZSA-N 2 1 340.870 3.301 20 0 EGADMP NCC[N@@H+]([C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246292378 1377051059 /nfs/dbraw/zinc/05/10/59/1377051059.db2.gz VYBRPPAIQOANRP-GBTVVVEBSA-N 2 1 331.548 3.138 20 0 EGADMP CCCC[C@@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCCC(C)C)CC[NH2+]1 ZINC001246291483 1377051125 /nfs/dbraw/zinc/05/11/25/1377051125.db2.gz HBOQSOANQAXFAJ-QYZOEREBSA-N 2 1 339.568 3.464 20 0 EGADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(N3CCCCCC3=O)c2)CC[NH2+]1 ZINC001246382243 1377051678 /nfs/dbraw/zinc/05/16/78/1377051678.db2.gz BGHGEHNEGPVRJW-QUCCMNQESA-N 2 1 343.515 3.460 20 0 EGADMP Cc1c(F)cccc1-c1noc([C@@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)n1 ZINC001247908191 1377065260 /nfs/dbraw/zinc/06/52/60/1377065260.db2.gz XVUZYXYCUQOHPB-CQSZACIVSA-N 2 1 344.434 3.116 20 0 EGADMP O[C@@]1(C[N@H+]2CCCC3(CC(F)C3)CC2)CCN(Cc2ccccc2)C1 ZINC001252932892 1377093653 /nfs/dbraw/zinc/09/36/53/1377093653.db2.gz ZFFGQZNAALHORD-XVAXZDLZSA-N 2 1 346.490 3.228 20 0 EGADMP O[C@@]1(C[N@@H+]2CCCC3(CC(F)C3)CC2)CC[NH+](Cc2ccccc2)C1 ZINC001252932892 1377093654 /nfs/dbraw/zinc/09/36/54/1377093654.db2.gz ZFFGQZNAALHORD-XVAXZDLZSA-N 2 1 346.490 3.228 20 0 EGADMP O[C@@]1(C[N@H+]2CCCC3(CC(F)C3)CC2)CC[NH+](Cc2ccccc2)C1 ZINC001252932892 1377093658 /nfs/dbraw/zinc/09/36/58/1377093658.db2.gz ZFFGQZNAALHORD-XVAXZDLZSA-N 2 1 346.490 3.228 20 0 EGADMP O[C@@]1(C[NH+]2CCCC3(CC(F)C3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252932892 1377093660 /nfs/dbraw/zinc/09/36/60/1377093660.db2.gz ZFFGQZNAALHORD-XVAXZDLZSA-N 2 1 346.490 3.228 20 0 EGADMP O[C@@]1(C[NH+]2CCCC3(CC(F)C3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252932892 1377093663 /nfs/dbraw/zinc/09/36/63/1377093663.db2.gz ZFFGQZNAALHORD-XVAXZDLZSA-N 2 1 346.490 3.228 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC/C=C/c1ccccc1 ZINC001135437107 1377096609 /nfs/dbraw/zinc/09/66/09/1377096609.db2.gz NOPPVIPFXNORKC-NTEUORMPSA-N 2 1 345.531 3.308 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cc(C)ccc1C ZINC001135437405 1377097961 /nfs/dbraw/zinc/09/79/61/1377097961.db2.gz ROIICLZRDUHIMH-UHFFFAOYSA-N 2 1 333.520 3.021 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC[C@H]1CCC[C@H](C)C1 ZINC001135440309 1377098513 /nfs/dbraw/zinc/09/85/13/1377098513.db2.gz KXTFZHCRHYDZTM-RBUKOAKNSA-N 2 1 339.568 3.421 20 0 EGADMP C[N@H+]1CCC[C@H](N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CC1 ZINC001254508483 1377105002 /nfs/dbraw/zinc/10/50/02/1377105002.db2.gz JMDRPRULDILQFV-QYCGMCSNSA-N 2 1 347.506 3.047 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001254508503 1377105260 /nfs/dbraw/zinc/10/52/60/1377105260.db2.gz JXAYLLSXFJRPHC-GOSISDBHSA-N 2 1 335.923 3.378 20 0 EGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254509587 1377105778 /nfs/dbraw/zinc/10/57/78/1377105778.db2.gz PDFSKBTWZLXOTJ-CZUORRHYSA-N 2 1 325.294 3.454 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135476979 1377111084 /nfs/dbraw/zinc/11/10/84/1377111084.db2.gz PFKVIPSEEYOGMY-DLBZAZTESA-N 2 1 339.568 3.418 20 0 EGADMP C[C@H]1CC([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)C[C@H](C)O1 ZINC001257100049 1377113272 /nfs/dbraw/zinc/11/32/72/1377113272.db2.gz VYYVWKCCQZDHHS-IRXDYDNUSA-N 2 1 328.500 3.465 20 0 EGADMP C[C@H]1CC([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)C[C@H](C)O1 ZINC001257100049 1377113274 /nfs/dbraw/zinc/11/32/74/1377113274.db2.gz VYYVWKCCQZDHHS-IRXDYDNUSA-N 2 1 328.500 3.465 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135481800 1377113874 /nfs/dbraw/zinc/11/38/74/1377113874.db2.gz XQOWVCZOIAQMQK-IRXDYDNUSA-N 2 1 339.568 3.418 20 0 EGADMP CCCC(CCC)[N@H+]1CCC[C@@]2(C1)COCCN(CCOC)C2 ZINC001257337780 1377114148 /nfs/dbraw/zinc/11/41/48/1377114148.db2.gz NBYCQIROKYLEAX-LJQANCHMSA-N 2 1 326.525 3.016 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1 ZINC001135678443 1377181335 /nfs/dbraw/zinc/18/13/35/1377181335.db2.gz FIXFVPJCDYZKKV-IRXDYDNUSA-N 2 1 342.487 3.045 20 0 EGADMP CCCc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC)cc1 ZINC001135860931 1377237987 /nfs/dbraw/zinc/23/79/87/1377237987.db2.gz JSVKNILUCOJQDG-QZTJIDSGSA-N 2 1 347.547 3.354 20 0 EGADMP CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001266285436 1377260180 /nfs/dbraw/zinc/26/01/80/1377260180.db2.gz YIZQXISGHYXGRG-YOEHRIQHSA-N 2 1 339.911 3.035 20 0 EGADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001266285436 1377260183 /nfs/dbraw/zinc/26/01/83/1377260183.db2.gz YIZQXISGHYXGRG-YOEHRIQHSA-N 2 1 339.911 3.035 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCc2ccccc2C[NH+](CC)CC)C1 ZINC001135962647 1377278458 /nfs/dbraw/zinc/27/84/58/1377278458.db2.gz ALOFDSHQABQZMU-FQEVSTJZSA-N 2 1 345.531 3.267 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001135973722 1377282338 /nfs/dbraw/zinc/28/23/38/1377282338.db2.gz COGPEVPIQLDBGS-ZWKOTPCHSA-N 2 1 333.520 3.100 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135995670 1377292108 /nfs/dbraw/zinc/29/21/08/1377292108.db2.gz JFOJGHIIPBUVRG-MOPGFXCFSA-N 2 1 347.547 3.408 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001267090250 1377411663 /nfs/dbraw/zinc/41/16/63/1377411663.db2.gz IAJNMOZXFGHGOO-WOJBJXKFSA-N 2 1 345.531 3.108 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001267089895 1377411764 /nfs/dbraw/zinc/41/17/64/1377411764.db2.gz GSJYORJHHGAXPC-PMACEKPBSA-N 2 1 345.531 3.162 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001267603976 1377463765 /nfs/dbraw/zinc/46/37/65/1377463765.db2.gz BWMXCUQDMRKSRH-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C)C[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001267603976 1377463767 /nfs/dbraw/zinc/46/37/67/1377463767.db2.gz BWMXCUQDMRKSRH-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C)C[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001267603976 1377463769 /nfs/dbraw/zinc/46/37/69/1377463769.db2.gz BWMXCUQDMRKSRH-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(N3CCCC3)o2)CC1 ZINC001137064679 1377471649 /nfs/dbraw/zinc/47/16/49/1377471649.db2.gz LFKWHXWMPKFBLJ-UHFFFAOYSA-N 2 1 340.471 3.322 20 0 EGADMP Cc1cccc2nc(C[N@@H+](C3CCCC3)C3CCN(C)CC3)cn21 ZINC001137303736 1377513498 /nfs/dbraw/zinc/51/34/98/1377513498.db2.gz QKEBLKHMQZPARL-UHFFFAOYSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1cccc2nc(CN(C3CCCC3)C3CC[NH+](C)CC3)cn21 ZINC001137303736 1377513501 /nfs/dbraw/zinc/51/35/01/1377513501.db2.gz QKEBLKHMQZPARL-UHFFFAOYSA-N 2 1 326.488 3.482 20 0 EGADMP CC(=O)Oc1cccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c1 ZINC001138040203 1377669685 /nfs/dbraw/zinc/66/96/85/1377669685.db2.gz BNXPISXRXRHVGM-UHFFFAOYSA-N 2 1 339.439 3.054 20 0 EGADMP CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C[C@@H]21 ZINC001138549458 1377740411 /nfs/dbraw/zinc/74/04/11/1377740411.db2.gz PYPDTBOSJIARMS-YZGWKJHDSA-N 2 1 325.456 3.428 20 0 EGADMP CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C[C@@H]21 ZINC001138549458 1377740413 /nfs/dbraw/zinc/74/04/13/1377740413.db2.gz PYPDTBOSJIARMS-YZGWKJHDSA-N 2 1 325.456 3.428 20 0 EGADMP CC(=O)N1CC[C@@H]([N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C(C)C)C1 ZINC001138550298 1377740541 /nfs/dbraw/zinc/74/05/41/1377740541.db2.gz OPKPNBOVPSURCD-HXUWFJFHSA-N 2 1 340.471 3.012 20 0 EGADMP CC(=O)N1CC[C@@H]([N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C(C)C)C1 ZINC001138550298 1377740544 /nfs/dbraw/zinc/74/05/44/1377740544.db2.gz OPKPNBOVPSURCD-HXUWFJFHSA-N 2 1 340.471 3.012 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC001138772368 1377782467 /nfs/dbraw/zinc/78/24/67/1377782467.db2.gz IEMNJDLVKNWQKA-LJQANCHMSA-N 2 1 339.483 3.402 20 0 EGADMP CCCn1cc(CN2C[C@@H]3C[N@H+](Cc4ccc(C)cc4)C[C@@H]3C2)cn1 ZINC001139038583 1377820773 /nfs/dbraw/zinc/82/07/73/1377820773.db2.gz FUJKLULXWHAOKW-OYRHEFFESA-N 2 1 338.499 3.165 20 0 EGADMP CCCn1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001139040209 1377821349 /nfs/dbraw/zinc/82/13/49/1377821349.db2.gz BNYBFFUXBBDCHH-UHFFFAOYSA-N 2 1 342.487 3.374 20 0 EGADMP Nc1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001139229563 1377856268 /nfs/dbraw/zinc/85/62/68/1377856268.db2.gz DCJOTCBOMSAZBY-DLBZAZTESA-N 2 1 342.512 3.069 20 0 EGADMP Nc1ncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001139229563 1377856269 /nfs/dbraw/zinc/85/62/69/1377856269.db2.gz DCJOTCBOMSAZBY-DLBZAZTESA-N 2 1 342.512 3.069 20 0 EGADMP Nc1ncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001139229563 1377856270 /nfs/dbraw/zinc/85/62/70/1377856270.db2.gz DCJOTCBOMSAZBY-DLBZAZTESA-N 2 1 342.512 3.069 20 0 EGADMP CN1CCN(c2ncc(C[N@H+]3CCC[C@@H]3C3CCCCC3)s2)CC1 ZINC001139325637 1377868828 /nfs/dbraw/zinc/86/88/28/1377868828.db2.gz VSLMHCMQODIEJB-GOSISDBHSA-N 2 1 348.560 3.440 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3C3CCCCC3)s2)CC1 ZINC001139325637 1377868831 /nfs/dbraw/zinc/86/88/31/1377868831.db2.gz VSLMHCMQODIEJB-GOSISDBHSA-N 2 1 348.560 3.440 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3C3CCCCC3)s2)CC1 ZINC001139325637 1377868834 /nfs/dbraw/zinc/86/88/34/1377868834.db2.gz VSLMHCMQODIEJB-GOSISDBHSA-N 2 1 348.560 3.440 20 0 EGADMP COc1ccncc1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001139610968 1377917338 /nfs/dbraw/zinc/91/73/38/1377917338.db2.gz VGIXEJVYDDXGOJ-UHFFFAOYSA-N 2 1 339.483 3.434 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc3cnn(C)c3c2)CC1 ZINC001139906422 1377975324 /nfs/dbraw/zinc/97/53/24/1377975324.db2.gz KHYKPZLTKLBYDJ-UHFFFAOYSA-N 2 1 335.455 3.016 20 0 EGADMP CC[NH+](CC)C1CCN(Cc2ccccc2-n2cc[nH+]c2C)CC1 ZINC001140027828 1377992532 /nfs/dbraw/zinc/99/25/32/1377992532.db2.gz CEGPIGKUOOVBFI-UHFFFAOYSA-N 2 1 326.488 3.487 20 0 EGADMP Oc1cnccc1C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001140275105 1378038718 /nfs/dbraw/zinc/03/87/18/1378038718.db2.gz QJCRQTZFNHNVMR-UHFFFAOYSA-N 2 1 343.496 3.337 20 0 EGADMP Oc1cnccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001140275105 1378038720 /nfs/dbraw/zinc/03/87/20/1378038720.db2.gz QJCRQTZFNHNVMR-UHFFFAOYSA-N 2 1 343.496 3.337 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cnc(-c4ccccc4F)nc3)C2)CC1 ZINC001140405238 1378057435 /nfs/dbraw/zinc/05/74/35/1378057435.db2.gz MUTXIQNFRSKMEE-UHFFFAOYSA-N 2 1 340.446 3.200 20 0 EGADMP Cc1cc(F)ccc1CN1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001140779649 1378134188 /nfs/dbraw/zinc/13/41/88/1378134188.db2.gz VDNZCEVHTJADDE-FQEVSTJZSA-N 2 1 334.479 3.457 20 0 EGADMP CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)CC[C@H]21 ZINC001140802161 1378141436 /nfs/dbraw/zinc/14/14/36/1378141436.db2.gz PIGDYBIMRWUUKY-RHSMWYFYSA-N 2 1 342.443 3.004 20 0 EGADMP CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)CC[C@H]21 ZINC001140802161 1378141438 /nfs/dbraw/zinc/14/14/38/1378141438.db2.gz PIGDYBIMRWUUKY-RHSMWYFYSA-N 2 1 342.443 3.004 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C1CCC([NH2+]Cc2ccccc2)CC1 ZINC001275633156 1378149015 /nfs/dbraw/zinc/14/90/15/1378149015.db2.gz WBJHZYMYEMQUBB-UHFFFAOYSA-N 2 1 345.531 3.278 20 0 EGADMP c1cc(C[NH+]2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)cs1 ZINC001275867220 1378160370 /nfs/dbraw/zinc/16/03/70/1378160370.db2.gz ZBYUYTRCMZYRAB-UHFFFAOYSA-N 2 1 330.501 3.349 20 0 EGADMP Fc1cncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001276336687 1378172124 /nfs/dbraw/zinc/17/21/24/1378172124.db2.gz PUNLNEHWWBVIFB-UHFFFAOYSA-N 2 1 328.435 3.037 20 0 EGADMP CS[C@H](C)CC[NH+]1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276470686 1378174305 /nfs/dbraw/zinc/17/43/05/1378174305.db2.gz PTIREUNJZPCQLZ-MRXNPFEDSA-N 2 1 336.549 3.229 20 0 EGADMP Cc1ccc(CC[N@H+](C)Cc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001140971441 1378195674 /nfs/dbraw/zinc/19/56/74/1378195674.db2.gz VTPVMZBXZZKZFL-UHFFFAOYSA-N 2 1 337.511 3.421 20 0 EGADMP Cn1ccc(-c2ccc(C[N@H+]3CCC[C@]4(CCC[NH+](C)C4)C3)cc2)n1 ZINC001277254625 1378213584 /nfs/dbraw/zinc/21/35/84/1378213584.db2.gz VKLAGQLMLLZRNC-NRFANRHFSA-N 2 1 338.499 3.395 20 0 EGADMP Cn1ccc(-c2ccc(C[NH+]3CCC[C@]4(CCC[N@H+](C)C4)C3)cc2)n1 ZINC001277254625 1378213587 /nfs/dbraw/zinc/21/35/87/1378213587.db2.gz VKLAGQLMLLZRNC-NRFANRHFSA-N 2 1 338.499 3.395 20 0 EGADMP Cn1ccc(-c2ccc(C[NH+]3CCC[C@]4(CCC[N@@H+](C)C4)C3)cc2)n1 ZINC001277254625 1378213589 /nfs/dbraw/zinc/21/35/89/1378213589.db2.gz VKLAGQLMLLZRNC-NRFANRHFSA-N 2 1 338.499 3.395 20 0 EGADMP NC(=O)CCCCC[N@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001278218060 1378264754 /nfs/dbraw/zinc/26/47/54/1378264754.db2.gz RSBNKKARMIAWAD-HXUWFJFHSA-N 2 1 335.536 3.153 20 0 EGADMP NC(=O)CCCCC[NH+]1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001278218060 1378264758 /nfs/dbraw/zinc/26/47/58/1378264758.db2.gz RSBNKKARMIAWAD-HXUWFJFHSA-N 2 1 335.536 3.153 20 0 EGADMP NC(=O)CCCCC[NH+]1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001278218060 1378264768 /nfs/dbraw/zinc/26/47/68/1378264768.db2.gz RSBNKKARMIAWAD-HXUWFJFHSA-N 2 1 335.536 3.153 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccc(C)cc1 ZINC001282677755 1378547575 /nfs/dbraw/zinc/54/75/75/1378547575.db2.gz GWHYRNSBLFSJET-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCCC[N@H+]1Cc1ccc(C)cc1 ZINC001282677755 1378547577 /nfs/dbraw/zinc/54/75/77/1378547577.db2.gz GWHYRNSBLFSJET-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CCOc1c(F)cc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1Cl ZINC001143739320 1378639492 /nfs/dbraw/zinc/63/94/92/1378639492.db2.gz QPDNZHNNFLCLQT-KGLIPLIRSA-N 2 1 326.843 3.261 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001146333734 1378818959 /nfs/dbraw/zinc/81/89/59/1378818959.db2.gz QMUUPSLHURKWEI-JKSUJKDBSA-N 2 1 348.535 3.281 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001146333938 1378819107 /nfs/dbraw/zinc/81/91/07/1378819107.db2.gz SJPPDSQDUDYDDN-JKSUJKDBSA-N 2 1 334.508 3.035 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C/C=C\c1ccccc1 ZINC001147348161 1379007379 /nfs/dbraw/zinc/00/73/79/1379007379.db2.gz GCTMLRIESUEYLL-DBBZSVRUSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC001283621427 1379060413 /nfs/dbraw/zinc/06/04/13/1379060413.db2.gz KPWCTPSBMVYINM-QFBILLFUSA-N 2 1 331.504 3.059 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001147893539 1379098154 /nfs/dbraw/zinc/09/81/54/1379098154.db2.gz RFUKKAGSLULYGL-SJORKVTESA-N 2 1 345.531 3.093 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001148017575 1379106638 /nfs/dbraw/zinc/10/66/38/1379106638.db2.gz TUAFYQQLYRKQIN-SREVYHEPSA-N 2 1 347.547 3.142 20 0 EGADMP CC/C=C/CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001148458134 1379175650 /nfs/dbraw/zinc/17/56/50/1379175650.db2.gz KMFBNUQAEYIYDQ-VQHVLOKHSA-N 2 1 349.563 3.389 20 0 EGADMP CC/C=C/CC[N@H+]1CCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001148458134 1379175651 /nfs/dbraw/zinc/17/56/51/1379175651.db2.gz KMFBNUQAEYIYDQ-VQHVLOKHSA-N 2 1 349.563 3.389 20 0 EGADMP CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001148458134 1379175653 /nfs/dbraw/zinc/17/56/53/1379175653.db2.gz KMFBNUQAEYIYDQ-VQHVLOKHSA-N 2 1 349.563 3.389 20 0 EGADMP CCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001148583469 1379217297 /nfs/dbraw/zinc/21/72/97/1379217297.db2.gz LHJKOUKLVLGJJE-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001148583469 1379217299 /nfs/dbraw/zinc/21/72/99/1379217299.db2.gz LHJKOUKLVLGJJE-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001148583469 1379217301 /nfs/dbraw/zinc/21/73/01/1379217301.db2.gz LHJKOUKLVLGJJE-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001148643195 1379233242 /nfs/dbraw/zinc/23/32/42/1379233242.db2.gz UPQQXVAPDLQGNF-INIZCTEOSA-N 2 1 333.520 3.093 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001148812931 1379274274 /nfs/dbraw/zinc/27/42/74/1379274274.db2.gz ZGNNGNICXIQLDZ-SMJNTDKHSA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C/CC[NH+]1CCC2(CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001148812931 1379274276 /nfs/dbraw/zinc/27/42/76/1379274276.db2.gz ZGNNGNICXIQLDZ-SMJNTDKHSA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C/CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001148812931 1379274285 /nfs/dbraw/zinc/27/42/85/1379274285.db2.gz ZGNNGNICXIQLDZ-SMJNTDKHSA-N 2 1 347.547 3.140 20 0 EGADMP CC[N@@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313884 1380053661 /nfs/dbraw/zinc/05/36/61/1380053661.db2.gz YZESJZNCIXFBKP-APWZRJJASA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](Cc1cccc(F)c1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153313884 1380053662 /nfs/dbraw/zinc/05/36/62/1380053662.db2.gz YZESJZNCIXFBKP-APWZRJJASA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](Cc1cccc(F)c1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153313884 1380053666 /nfs/dbraw/zinc/05/36/66/1380053666.db2.gz YZESJZNCIXFBKP-APWZRJJASA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153368703 1380065826 /nfs/dbraw/zinc/06/58/26/1380065826.db2.gz VRBOGZJOOSBKAH-QGZVFWFLSA-N 2 1 343.531 3.217 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001153720562 1380118516 /nfs/dbraw/zinc/11/85/16/1380118516.db2.gz KPTNYBWTTAHROK-MSOLQXFVSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001153720562 1380118518 /nfs/dbraw/zinc/11/85/18/1380118518.db2.gz KPTNYBWTTAHROK-MSOLQXFVSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001153720562 1380118524 /nfs/dbraw/zinc/11/85/24/1380118524.db2.gz KPTNYBWTTAHROK-MSOLQXFVSA-N 2 1 325.541 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCC(C)C ZINC001153728946 1380119366 /nfs/dbraw/zinc/11/93/66/1380119366.db2.gz VTQMEXHZAJOYRV-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCCC(C)C ZINC001153728946 1380119367 /nfs/dbraw/zinc/11/93/67/1380119367.db2.gz VTQMEXHZAJOYRV-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCCC(C)C ZINC001153728946 1380119369 /nfs/dbraw/zinc/11/93/69/1380119369.db2.gz VTQMEXHZAJOYRV-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153823813 1380137352 /nfs/dbraw/zinc/13/73/52/1380137352.db2.gz AGTBPPIELWHJBB-VQIMIIECSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153824375 1380137544 /nfs/dbraw/zinc/13/75/44/1380137544.db2.gz RVDRBVOIXJOWAC-SJLPKXTDSA-N 2 1 346.519 3.167 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153824375 1380137547 /nfs/dbraw/zinc/13/75/47/1380137547.db2.gz RVDRBVOIXJOWAC-SJLPKXTDSA-N 2 1 346.519 3.167 20 0 EGADMP CC[N@@H+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153823894 1380137588 /nfs/dbraw/zinc/13/75/88/1380137588.db2.gz CSWJWINRPSGFAS-GOSISDBHSA-N 2 1 345.531 3.114 20 0 EGADMP CCc1ccccc1C[N@H+](CC)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828627 1380138808 /nfs/dbraw/zinc/13/88/08/1380138808.db2.gz OWVVZBSIHWUPPP-QGZVFWFLSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153879311 1380148317 /nfs/dbraw/zinc/14/83/17/1380148317.db2.gz FRLHRTNKQYZXJW-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CCCC1)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153879311 1380148319 /nfs/dbraw/zinc/14/83/19/1380148319.db2.gz FRLHRTNKQYZXJW-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CCCC1)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153879311 1380148321 /nfs/dbraw/zinc/14/83/21/1380148321.db2.gz FRLHRTNKQYZXJW-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153879281 1380148382 /nfs/dbraw/zinc/14/83/82/1380148382.db2.gz DFWGOHRHAVGHIN-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153879281 1380148384 /nfs/dbraw/zinc/14/83/84/1380148384.db2.gz DFWGOHRHAVGHIN-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153879281 1380148385 /nfs/dbraw/zinc/14/83/85/1380148385.db2.gz DFWGOHRHAVGHIN-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](Cc1ccccc1F)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153880087 1380149094 /nfs/dbraw/zinc/14/90/94/1380149094.db2.gz XBIQCBBOOFWWQW-SJLPKXTDSA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](Cc1ccccc1F)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153880087 1380149095 /nfs/dbraw/zinc/14/90/95/1380149095.db2.gz XBIQCBBOOFWWQW-SJLPKXTDSA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](Cc1ccccc1F)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153880087 1380149096 /nfs/dbraw/zinc/14/90/96/1380149096.db2.gz XBIQCBBOOFWWQW-SJLPKXTDSA-N 2 1 349.494 3.027 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153891202 1380149870 /nfs/dbraw/zinc/14/98/70/1380149870.db2.gz QRTQHODZIJVGMR-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153891202 1380149871 /nfs/dbraw/zinc/14/98/71/1380149871.db2.gz QRTQHODZIJVGMR-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153891202 1380149872 /nfs/dbraw/zinc/14/98/72/1380149872.db2.gz QRTQHODZIJVGMR-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990489 1380171159 /nfs/dbraw/zinc/17/11/59/1380171159.db2.gz IBDMGNZPIJXNNQ-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990769 1380172278 /nfs/dbraw/zinc/17/22/78/1380172278.db2.gz QZIHHZVYPROBKZ-HPFMTEOYSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C)sc1C)[NH+](C)C ZINC001154009361 1380177821 /nfs/dbraw/zinc/17/78/21/1380177821.db2.gz LJFGFWVOKJAIJD-CXAGYDPISA-N 2 1 339.549 3.032 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033996 1380187410 /nfs/dbraw/zinc/18/74/10/1380187410.db2.gz SJRUDYRITOWFNO-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154033996 1380187413 /nfs/dbraw/zinc/18/74/13/1380187413.db2.gz SJRUDYRITOWFNO-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154033996 1380187417 /nfs/dbraw/zinc/18/74/17/1380187417.db2.gz SJRUDYRITOWFNO-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154344334 1380261121 /nfs/dbraw/zinc/26/11/21/1380261121.db2.gz AAPCTWBWMDASQO-QGZVFWFLSA-N 2 1 348.535 3.235 20 0 EGADMP CC[N@@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154344334 1380261122 /nfs/dbraw/zinc/26/11/22/1380261122.db2.gz AAPCTWBWMDASQO-QGZVFWFLSA-N 2 1 348.535 3.235 20 0 EGADMP CC[C@@H](F)C[N@@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154482072 1380286402 /nfs/dbraw/zinc/28/64/02/1380286402.db2.gz YBZHXLOOMMPPLN-IAGOWNOFSA-N 2 1 343.531 3.073 20 0 EGADMP C[C@@H]1C[C@@H](CNc2[nH+]cnc3c2ccn3Cc2cccc(F)c2)C[NH2+]1 ZINC001155102234 1380408972 /nfs/dbraw/zinc/40/89/72/1380408972.db2.gz VTZHJVUXBHGSAJ-UKRRQHHQSA-N 2 1 339.418 3.029 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001155619918 1380474940 /nfs/dbraw/zinc/47/49/40/1380474940.db2.gz CAEZHWRATWHXQS-QZTJIDSGSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](CCC(C)C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001155619918 1380474943 /nfs/dbraw/zinc/47/49/43/1380474943.db2.gz CAEZHWRATWHXQS-QZTJIDSGSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](CCC(C)C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001155619918 1380474944 /nfs/dbraw/zinc/47/49/44/1380474944.db2.gz CAEZHWRATWHXQS-QZTJIDSGSA-N 2 1 325.541 3.122 20 0 EGADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C)c1ccc(C(C)(C)C)cc1 ZINC001155811895 1380494365 /nfs/dbraw/zinc/49/43/65/1380494365.db2.gz LIAZCVYRYCMJLQ-VQIMIIECSA-N 2 1 345.531 3.235 20 0 EGADMP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825685 1380495734 /nfs/dbraw/zinc/49/57/34/1380495734.db2.gz POILMKOQERMIBR-IWAYRVGRSA-N 2 1 334.508 3.155 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825685 1380495736 /nfs/dbraw/zinc/49/57/36/1380495736.db2.gz POILMKOQERMIBR-IWAYRVGRSA-N 2 1 334.508 3.155 20 0 EGADMP C[NH+](C)C1(CNc2cc(Cl)nc3ccccc32)CC[NH+](C)CC1 ZINC001156176469 1380536662 /nfs/dbraw/zinc/53/66/62/1380536662.db2.gz OQKXESGMNGPSCO-UHFFFAOYSA-N 2 1 332.879 3.326 20 0 EGADMP C[NH+](C)C1(CNc2cc(Cl)nc3sccc32)CC[NH+](C)CC1 ZINC001156182439 1380537533 /nfs/dbraw/zinc/53/75/33/1380537533.db2.gz TYMJQVXZEQLFPK-UHFFFAOYSA-N 2 1 338.908 3.388 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCCCC1 ZINC001156194860 1380539980 /nfs/dbraw/zinc/53/99/80/1380539980.db2.gz ZMZAJOXWNALJMQ-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC[NH+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156194575 1380539905 /nfs/dbraw/zinc/53/99/05/1380539905.db2.gz STYMOFBIFPIQII-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CC1CCC(C)(C)CC1 ZINC001156194575 1380539906 /nfs/dbraw/zinc/53/99/06/1380539906.db2.gz STYMOFBIFPIQII-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC(C)(C)CC1 ZINC001156194575 1380539907 /nfs/dbraw/zinc/53/99/07/1380539907.db2.gz STYMOFBIFPIQII-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156194860 1380539977 /nfs/dbraw/zinc/53/99/77/1380539977.db2.gz ZMZAJOXWNALJMQ-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CC1CCCCCC1 ZINC001156194860 1380539978 /nfs/dbraw/zinc/53/99/78/1380539978.db2.gz ZMZAJOXWNALJMQ-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)NC[C@@H](C)[N@@H+](CC)C/C=C/Cl ZINC001156318452 1380557386 /nfs/dbraw/zinc/55/73/86/1380557386.db2.gz BDNMQKFUDBWYJD-QXLXQBSBSA-N 2 1 345.959 3.468 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC1CCC(C)(C)CC1 ZINC001156530466 1380589385 /nfs/dbraw/zinc/58/93/85/1380589385.db2.gz PIBHHBTXMTTYLV-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC1CCC(C)(C)CC1 ZINC001156530466 1380589387 /nfs/dbraw/zinc/58/93/87/1380589387.db2.gz PIBHHBTXMTTYLV-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC(C)(C)CC1 ZINC001156530466 1380589388 /nfs/dbraw/zinc/58/93/88/1380589388.db2.gz PIBHHBTXMTTYLV-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)Cn1ccnc1C ZINC001156942277 1380735553 /nfs/dbraw/zinc/73/55/53/1380735553.db2.gz IXWOFJHPBBKDBM-MRXNPFEDSA-N 2 1 348.535 3.235 20 0 EGADMP CC[N@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942277 1380735557 /nfs/dbraw/zinc/73/55/57/1380735557.db2.gz IXWOFJHPBBKDBM-MRXNPFEDSA-N 2 1 348.535 3.235 20 0 EGADMP CC[N@@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942277 1380735563 /nfs/dbraw/zinc/73/55/63/1380735563.db2.gz IXWOFJHPBBKDBM-MRXNPFEDSA-N 2 1 348.535 3.235 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156961418 1380738461 /nfs/dbraw/zinc/73/84/61/1380738461.db2.gz QSDDOOUEMISULB-LIXSYLKWSA-N 2 1 337.552 3.435 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157098659 1380774941 /nfs/dbraw/zinc/77/49/41/1380774941.db2.gz RKQSEDLHIRCPQW-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CCN(Cc1sccc1Cl)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157109702 1380776864 /nfs/dbraw/zinc/77/68/64/1380776864.db2.gz RTTRLGCREDFHCD-CYBMUJFWSA-N 2 1 345.940 3.068 20 0 EGADMP CC[N@H+](Cc1sccc1Cl)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157109702 1380776868 /nfs/dbraw/zinc/77/68/68/1380776868.db2.gz RTTRLGCREDFHCD-CYBMUJFWSA-N 2 1 345.940 3.068 20 0 EGADMP CC[N@@H+](Cc1sccc1Cl)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157109702 1380776873 /nfs/dbraw/zinc/77/68/73/1380776873.db2.gz RTTRLGCREDFHCD-CYBMUJFWSA-N 2 1 345.940 3.068 20 0 EGADMP CC[NH+](Cc1sccc1Cl)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157109702 1380776877 /nfs/dbraw/zinc/77/68/77/1380776877.db2.gz RTTRLGCREDFHCD-CYBMUJFWSA-N 2 1 345.940 3.068 20 0 EGADMP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287395 1380834821 /nfs/dbraw/zinc/83/48/21/1380834821.db2.gz UFIFMAQPYAAOJY-IHHMQQGQSA-N 2 1 345.531 3.301 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287395 1380834824 /nfs/dbraw/zinc/83/48/24/1380834824.db2.gz UFIFMAQPYAAOJY-IHHMQQGQSA-N 2 1 345.531 3.301 20 0 EGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001157287395 1380834829 /nfs/dbraw/zinc/83/48/29/1380834829.db2.gz UFIFMAQPYAAOJY-IHHMQQGQSA-N 2 1 345.531 3.301 20 0 EGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001157287395 1380834831 /nfs/dbraw/zinc/83/48/31/1380834831.db2.gz UFIFMAQPYAAOJY-IHHMQQGQSA-N 2 1 345.531 3.301 20 0 EGADMP CC(C)[NH+]1CC(Nc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C1 ZINC001157526008 1380955798 /nfs/dbraw/zinc/95/57/98/1380955798.db2.gz MQDOEQZQPBHORS-UHFFFAOYSA-N 2 1 336.483 3.144 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001157893816 1381064009 /nfs/dbraw/zinc/06/40/09/1381064009.db2.gz NNGVYOCOTDFKSB-WOJBJXKFSA-N 2 1 343.515 3.033 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCCC2CCC2)CC[N@H+]1C ZINC001157978375 1381090747 /nfs/dbraw/zinc/09/07/47/1381090747.db2.gz TXXDCFRAYBBGCX-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CCCC2CCC2)CC[NH+]1C ZINC001157978375 1381090755 /nfs/dbraw/zinc/09/07/55/1381090755.db2.gz TXXDCFRAYBBGCX-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCCC2CCC2)CC[NH+]1C ZINC001157978375 1381090764 /nfs/dbraw/zinc/09/07/64/1381090764.db2.gz TXXDCFRAYBBGCX-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC)C[C@H](F)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)C ZINC001158029118 1381107067 /nfs/dbraw/zinc/10/70/67/1381107067.db2.gz FPRBLDMMWZQVTF-MSOLQXFVSA-N 2 1 343.531 3.025 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158098275 1381126667 /nfs/dbraw/zinc/12/66/67/1381126667.db2.gz GUUSRXLQSVSWCH-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001158310895 1381194905 /nfs/dbraw/zinc/19/49/05/1381194905.db2.gz MDQCXRNGOQWBDT-IPMKNSEASA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@H](C)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001158310895 1381194911 /nfs/dbraw/zinc/19/49/11/1381194911.db2.gz MDQCXRNGOQWBDT-IPMKNSEASA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@H](C)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001158310895 1381194917 /nfs/dbraw/zinc/19/49/17/1381194917.db2.gz MDQCXRNGOQWBDT-IPMKNSEASA-N 2 1 337.552 3.076 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001158353982 1381213577 /nfs/dbraw/zinc/21/35/77/1381213577.db2.gz DIAYYKDUJIKNFH-LXPRWKDFSA-N 2 1 348.535 3.319 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC001158355024 1381214721 /nfs/dbraw/zinc/21/47/21/1381214721.db2.gz LXJMRNNUXUQPIB-DLBZAZTESA-N 2 1 342.487 3.254 20 0 EGADMP CCc1ccccc1C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158445769 1381248502 /nfs/dbraw/zinc/24/85/02/1381248502.db2.gz PTAWGRYQIWPKNY-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(C)C)[NH+](CC)CC ZINC001158491047 1381266195 /nfs/dbraw/zinc/26/61/95/1381266195.db2.gz GDVVJKYYOPOKQI-MSOLQXFVSA-N 2 1 325.541 3.076 20 0 EGADMP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001158539769 1381287328 /nfs/dbraw/zinc/28/73/28/1381287328.db2.gz BYYWYEYHAMRAEC-QZTJIDSGSA-N 2 1 348.535 3.366 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001158539769 1381287334 /nfs/dbraw/zinc/28/73/34/1381287334.db2.gz BYYWYEYHAMRAEC-QZTJIDSGSA-N 2 1 348.535 3.366 20 0 EGADMP CC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158767974 1381390164 /nfs/dbraw/zinc/39/01/64/1381390164.db2.gz BGZDSILWAFIKNV-LIXSYLKWSA-N 2 1 337.552 3.388 20 0 EGADMP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001158922925 1381465141 /nfs/dbraw/zinc/46/51/41/1381465141.db2.gz NIXAXKTWAYODSU-CSHXORCISA-N 2 1 337.552 3.386 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001158922925 1381465147 /nfs/dbraw/zinc/46/51/47/1381465147.db2.gz NIXAXKTWAYODSU-CSHXORCISA-N 2 1 337.552 3.386 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001158922925 1381465149 /nfs/dbraw/zinc/46/51/49/1381465149.db2.gz NIXAXKTWAYODSU-CSHXORCISA-N 2 1 337.552 3.386 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCC2=CCCCC2)CC1 ZINC001159628360 1381852792 /nfs/dbraw/zinc/85/27/92/1381852792.db2.gz GVSOAIPMTYDTOQ-FQEVSTJZSA-N 2 1 345.531 3.110 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCC2=CCCCC2)CC1 ZINC001159628360 1381852793 /nfs/dbraw/zinc/85/27/93/1381852793.db2.gz GVSOAIPMTYDTOQ-FQEVSTJZSA-N 2 1 345.531 3.110 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCC2=CCCCC2)CC1 ZINC001159628360 1381852794 /nfs/dbraw/zinc/85/27/94/1381852794.db2.gz GVSOAIPMTYDTOQ-FQEVSTJZSA-N 2 1 345.531 3.110 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC001159823239 1381911494 /nfs/dbraw/zinc/91/14/94/1381911494.db2.gz VYMDNGRFRUJOQY-VQTJNVASSA-N 2 1 345.531 3.212 20 0 EGADMP O=C(NCCC[NH2+]CC1CCCCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159907911 1381934015 /nfs/dbraw/zinc/93/40/15/1381934015.db2.gz FIDLVMMXMPANNL-FQEVSTJZSA-N 2 1 349.563 3.460 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001159907618 1381934609 /nfs/dbraw/zinc/93/46/09/1381934609.db2.gz BUEIDUYQHSPCFE-QGZVFWFLSA-N 2 1 325.541 3.172 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001159909809 1381934735 /nfs/dbraw/zinc/93/47/35/1381934735.db2.gz NOSQYLAWKAYJHK-VQTJNVASSA-N 2 1 345.531 3.497 20 0 EGADMP CC[NH2+]Cc1cccc(Nc2cccc(C[NH+]3CCN(C)CC3)c2)c1 ZINC001159955943 1381948979 /nfs/dbraw/zinc/94/89/79/1381948979.db2.gz ADVNYNCJHUDONO-UHFFFAOYSA-N 2 1 338.499 3.287 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001159997837 1381963564 /nfs/dbraw/zinc/96/35/64/1381963564.db2.gz ZWKGGYKPJSRHKA-KRWDZBQOSA-N 2 1 345.531 3.451 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CC(C)C2)CC1 ZINC001160121326 1382004058 /nfs/dbraw/zinc/00/40/58/1382004058.db2.gz WWXIZFNSAFNBPZ-UUKMXZOPSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2CC(C)C2)CC1 ZINC001160121326 1382004063 /nfs/dbraw/zinc/00/40/63/1382004063.db2.gz WWXIZFNSAFNBPZ-UUKMXZOPSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2CC(C)C2)CC1 ZINC001160121326 1382004066 /nfs/dbraw/zinc/00/40/66/1382004066.db2.gz WWXIZFNSAFNBPZ-UUKMXZOPSA-N 2 1 347.547 3.044 20 0 EGADMP Fc1cccc(OC2CC[NH2+]CC2)c1Nc1ccc2[nH+]ccn2c1 ZINC001160149354 1382016348 /nfs/dbraw/zinc/01/63/48/1382016348.db2.gz KAPFSJMTBZDGPQ-UHFFFAOYSA-N 2 1 326.375 3.348 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1cccc(O[C@H]2CCC[NH2+]C2)c1 ZINC001160220773 1382037913 /nfs/dbraw/zinc/03/79/13/1382037913.db2.gz YVKLBZIIGBYYBW-KRWDZBQOSA-N 2 1 326.444 3.330 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)CC[C@@H]2CCC[N@H+]2C)c1 ZINC001160274458 1382058461 /nfs/dbraw/zinc/05/84/61/1382058461.db2.gz SPWYBFFZOZZDJO-OALUTQOASA-N 2 1 345.531 3.335 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001160274492 1382058577 /nfs/dbraw/zinc/05/85/77/1382058577.db2.gz UIMRDDSUQPJCKQ-SFHVURJKSA-N 2 1 337.552 3.173 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCCC1=CC[N@@H+](CCCC2CCC2)CC1)C1CC1 ZINC001160359948 1382082584 /nfs/dbraw/zinc/08/25/84/1382082584.db2.gz HDHVIFOIQKSWPI-FQEVSTJZSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@H](C(=O)NCCC1=CC[N@@H+](CC2CCCCCC2)CC1)[NH+](C)C ZINC001160473729 1382117200 /nfs/dbraw/zinc/11/72/00/1382117200.db2.gz NJHRDVUPFYVXGH-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160677272 1382169036 /nfs/dbraw/zinc/16/90/36/1382169036.db2.gz UWBNCNIHDOAGMW-AATRIKPKSA-N 2 1 344.503 3.076 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160677272 1382169038 /nfs/dbraw/zinc/16/90/38/1382169038.db2.gz UWBNCNIHDOAGMW-AATRIKPKSA-N 2 1 344.503 3.076 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001160787711 1382195898 /nfs/dbraw/zinc/19/58/98/1382195898.db2.gz QIGQWGVSUGXRBH-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986387 1382262536 /nfs/dbraw/zinc/26/25/36/1382262536.db2.gz RYXCDAJEDFYBSU-FQEVSTJZSA-N 2 1 349.563 3.437 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001160986387 1382262541 /nfs/dbraw/zinc/26/25/41/1382262541.db2.gz RYXCDAJEDFYBSU-FQEVSTJZSA-N 2 1 349.563 3.437 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001160986387 1382262547 /nfs/dbraw/zinc/26/25/47/1382262547.db2.gz RYXCDAJEDFYBSU-FQEVSTJZSA-N 2 1 349.563 3.437 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCCC2=CC[NH+](CC3CCCC3)CC2)CC[N@H+]1C ZINC001161008520 1382269664 /nfs/dbraw/zinc/26/96/64/1382269664.db2.gz PRYLLZQAXPBQQL-PXNSSMCTSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCCC2=CC[N@H+](CC3CCCC3)CC2)CC[NH+]1C ZINC001161008520 1382269668 /nfs/dbraw/zinc/26/96/68/1382269668.db2.gz PRYLLZQAXPBQQL-PXNSSMCTSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCCC2=CC[N@@H+](CC3CCCC3)CC2)CC[NH+]1C ZINC001161008520 1382269673 /nfs/dbraw/zinc/26/96/73/1382269673.db2.gz PRYLLZQAXPBQQL-PXNSSMCTSA-N 2 1 347.547 3.045 20 0 EGADMP c1cc(N2CCCCC2)nc(NCC2CC[NH+](CC3CCC3)CC2)[nH+]1 ZINC001161234904 1382351464 /nfs/dbraw/zinc/35/14/64/1382351464.db2.gz XVDLMQYVUYAVNP-UHFFFAOYSA-N 2 1 343.519 3.391 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383400 1382392001 /nfs/dbraw/zinc/39/20/01/1382392001.db2.gz WHRLIPAETIEBGS-IBGZPJMESA-N 2 1 347.547 3.356 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383401 1382392138 /nfs/dbraw/zinc/39/21/38/1382392138.db2.gz WHRLIPAETIEBGS-LJQANCHMSA-N 2 1 347.547 3.356 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CCC3CC3)CC2)CC1 ZINC001161621884 1382461838 /nfs/dbraw/zinc/46/18/38/1382461838.db2.gz DAIICPQROFGBLG-UHFFFAOYSA-N 2 1 347.547 3.045 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161622878 1382463421 /nfs/dbraw/zinc/46/34/21/1382463421.db2.gz VUWUJHGKAAKXGS-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001161649488 1382470579 /nfs/dbraw/zinc/47/05/79/1382470579.db2.gz JUEWTLXIJNDUBC-ICSRJNTNSA-N 2 1 345.531 3.272 20 0 EGADMP CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001161683014 1382480514 /nfs/dbraw/zinc/48/05/14/1382480514.db2.gz IHSUUZLHQRZAOP-HXUWFJFHSA-N 2 1 343.515 3.228 20 0 EGADMP CCC[NH+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001161683014 1382480517 /nfs/dbraw/zinc/48/05/17/1382480517.db2.gz IHSUUZLHQRZAOP-HXUWFJFHSA-N 2 1 343.515 3.228 20 0 EGADMP CCC[NH+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001161683014 1382480522 /nfs/dbraw/zinc/48/05/22/1382480522.db2.gz IHSUUZLHQRZAOP-HXUWFJFHSA-N 2 1 343.515 3.228 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161699225 1382483857 /nfs/dbraw/zinc/48/38/57/1382483857.db2.gz OKDJWKFCURRHJQ-XJDXJNMNSA-N 2 1 347.547 3.213 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161699225 1382483861 /nfs/dbraw/zinc/48/38/61/1382483861.db2.gz OKDJWKFCURRHJQ-XJDXJNMNSA-N 2 1 347.547 3.213 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161699225 1382483865 /nfs/dbraw/zinc/48/38/65/1382483865.db2.gz OKDJWKFCURRHJQ-XJDXJNMNSA-N 2 1 347.547 3.213 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@H+](CC2CCC(C)CC2)CC1 ZINC001161946805 1382566693 /nfs/dbraw/zinc/56/66/93/1382566693.db2.gz FIYWJVSZZSMHGT-UHFFFAOYSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@@H+](CC2CCC(C)CC2)CC1 ZINC001161946805 1382566695 /nfs/dbraw/zinc/56/66/95/1382566695.db2.gz FIYWJVSZZSMHGT-UHFFFAOYSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161952041 1382566856 /nfs/dbraw/zinc/56/68/56/1382566856.db2.gz AWUPUTVSFMMXMH-HXUWFJFHSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161953007 1382568591 /nfs/dbraw/zinc/56/85/91/1382568591.db2.gz OKEOERNUJGBMAG-IEBWSBKVSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001161953007 1382568603 /nfs/dbraw/zinc/56/86/03/1382568603.db2.gz OKEOERNUJGBMAG-IEBWSBKVSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001161953007 1382568620 /nfs/dbraw/zinc/56/86/20/1382568620.db2.gz OKEOERNUJGBMAG-IEBWSBKVSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161994030 1382592559 /nfs/dbraw/zinc/59/25/59/1382592559.db2.gz PKJDVOMAVCFPAO-IBGZPJMESA-N 2 1 349.563 3.437 20 0 EGADMP Cn1ccc2c1nc[nH+]c2N(CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001162186638 1382651766 /nfs/dbraw/zinc/65/17/66/1382651766.db2.gz SISZCVMBAONJKF-WKILWMFISA-N 2 1 327.476 3.235 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC[C@@]2(F)CCCC[NH2+]C2)nc1 ZINC001162580608 1382797844 /nfs/dbraw/zinc/79/78/44/1382797844.db2.gz VUJPXEDASWAQEK-QFBILLFUSA-N 2 1 334.483 3.350 20 0 EGADMP C[N@H+]1CC[C@@H](c2ccc(NCC[C@H]3C[NH2+]Cc4cccn4C3)cc2)C1 ZINC001163065313 1382959828 /nfs/dbraw/zinc/95/98/28/1382959828.db2.gz MACFLQJPXZKUEN-PKOBYXMFSA-N 2 1 338.499 3.129 20 0 EGADMP Cc1ccc2c(C)cc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)[nH+]c2c1 ZINC001163277812 1383011764 /nfs/dbraw/zinc/01/17/64/1383011764.db2.gz GVDYZHIUQXDUGR-JXFKEZNVSA-N 2 1 325.456 3.422 20 0 EGADMP Cn1ccc2c1nc[nH+]c2NC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001163315939 1383020220 /nfs/dbraw/zinc/02/02/20/1383020220.db2.gz ULHJBUVUYLBBEH-HNNXBMFYSA-N 2 1 325.460 3.201 20 0 EGADMP Cc1[nH+]c2ccc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)cc2n1C(C)C ZINC001163325925 1383023290 /nfs/dbraw/zinc/02/32/90/1383023290.db2.gz CXAPRJSWBPRKCS-LPHOPBHVSA-N 2 1 328.460 3.249 20 0 EGADMP CCC[N@@H+]1CCC[C@@H](C(=O)Nc2c[nH+]ccc2Nc2ccccc2)C1 ZINC001164238807 1383169862 /nfs/dbraw/zinc/16/98/62/1383169862.db2.gz CDLNBOREXKPQJJ-MRXNPFEDSA-N 2 1 338.455 3.308 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)Nc2c[nH+]ccc2Nc2ccccc2)C1 ZINC001164238807 1383169863 /nfs/dbraw/zinc/16/98/63/1383169863.db2.gz CDLNBOREXKPQJJ-MRXNPFEDSA-N 2 1 338.455 3.308 20 0 EGADMP [NH3+][C@@H]1CN(c2[nH+]ccc3c2ccn3Cc2ccccc2)CCC1(F)F ZINC001164324446 1383178039 /nfs/dbraw/zinc/17/80/39/1383178039.db2.gz STIGTNMVCOWEDO-QGZVFWFLSA-N 2 1 342.393 3.257 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001164425430 1383185553 /nfs/dbraw/zinc/18/55/53/1383185553.db2.gz OWBLODKUINJKAX-UHFFFAOYSA-N 2 1 335.411 3.206 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CCC2=CCCCC2)C1 ZINC001164456277 1383188519 /nfs/dbraw/zinc/18/85/19/1383188519.db2.gz OTBMKPARNUHWJI-LJQANCHMSA-N 2 1 335.536 3.095 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@H](C)c2ccccc2F)C1 ZINC001164456582 1383188750 /nfs/dbraw/zinc/18/87/50/1383188750.db2.gz VOEKVCWFKFDJDR-SJORKVTESA-N 2 1 349.494 3.105 20 0 EGADMP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164513395 1383194953 /nfs/dbraw/zinc/19/49/53/1383194953.db2.gz CKMCAAPAEWMVMV-GOSISDBHSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]([NH3+])C(F)(F)C2)nc1 ZINC001165127125 1383233618 /nfs/dbraw/zinc/23/36/18/1383233618.db2.gz CMYVZURXGJEJQV-CVEARBPZSA-N 2 1 338.446 3.191 20 0 EGADMP CC[N@H+]1CCCC[C@H]1c1ccc(-n2ccnc2[C@H]2CCC[NH2+]C2)nc1 ZINC001165144284 1383236507 /nfs/dbraw/zinc/23/65/07/1383236507.db2.gz QSLGXGGHYVFZLF-ROUUACIJSA-N 2 1 339.487 3.281 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165736030 1383335280 /nfs/dbraw/zinc/33/52/80/1383335280.db2.gz GTJIHHFOIYNEMV-MOPGFXCFSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001165764731 1383341887 /nfs/dbraw/zinc/34/18/87/1383341887.db2.gz TYXCPNZVAMWBPL-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001165809466 1383348815 /nfs/dbraw/zinc/34/88/15/1383348815.db2.gz FOVOVIYDARDSPH-QGZVFWFLSA-N 2 1 345.531 3.354 20 0 EGADMP CC(C)(C)CCC[NH2+]CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001166686669 1383460610 /nfs/dbraw/zinc/46/06/10/1383460610.db2.gz BOLAAHDWVKMKQS-LJQANCHMSA-N 2 1 343.531 3.121 20 0 EGADMP C[N@@H+](CC(=O)NCCC[NH2+]Cc1cc2ccccc2o1)CC(C)(C)C ZINC001166743971 1383470029 /nfs/dbraw/zinc/47/00/29/1383470029.db2.gz BFKYBKGKQSHCEC-UHFFFAOYSA-N 2 1 345.487 3.007 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793407 1383478275 /nfs/dbraw/zinc/47/82/75/1383478275.db2.gz MNYCQCLOYSRYLB-VOFKWLDRSA-N 2 1 349.563 3.341 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001167223892 1383569967 /nfs/dbraw/zinc/56/99/67/1383569967.db2.gz CXUXEYUHBAHGEL-GOSISDBHSA-N 2 1 349.563 3.317 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCCC2(C[NH2+]CCC3=CCCCC3)CC2)C1 ZINC001167232856 1383571593 /nfs/dbraw/zinc/57/15/93/1383571593.db2.gz SDWXQEFJHFLLOB-SFHVURJKSA-N 2 1 347.547 3.095 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001167588293 1383681742 /nfs/dbraw/zinc/68/17/42/1383681742.db2.gz JTLXQIDDKJLJPE-UHFFFAOYSA-N 2 1 348.535 3.463 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)N1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001301660864 1383725442 /nfs/dbraw/zinc/72/54/42/1383725442.db2.gz HLGAFBJXZCHZKR-ROUUACIJSA-N 2 1 349.906 3.077 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCCNc1[nH+]c(N)ccc1NC(=O)C(C)(C)C ZINC001167752757 1383730477 /nfs/dbraw/zinc/73/04/77/1383730477.db2.gz ZCNXUMHGZJLDON-AWEZNQCLSA-N 2 1 347.507 3.325 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCNc1[nH+]c(N)ccc1NC(=O)C(C)(C)C ZINC001167752757 1383730480 /nfs/dbraw/zinc/73/04/80/1383730480.db2.gz ZCNXUMHGZJLDON-AWEZNQCLSA-N 2 1 347.507 3.325 20 0 EGADMP c1ccc2c(c1)-c1ccccc1C2Nc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001167777862 1383738218 /nfs/dbraw/zinc/73/82/18/1383738218.db2.gz ODVKHRSAOFEUAH-UHFFFAOYSA-N 2 1 343.434 3.068 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167824311 1383749539 /nfs/dbraw/zinc/74/95/39/1383749539.db2.gz DJNSATXRKYMDTL-IAGOWNOFSA-N 2 1 341.540 3.438 20 0 EGADMP CCOc1c(F)cc(NC(=[NH2+])SCC[NH3+])cc1C(F)(F)F ZINC001167915991 1383768925 /nfs/dbraw/zinc/76/89/25/1383768925.db2.gz MZXHURLLCBTBNC-UHFFFAOYSA-N 2 1 325.331 3.282 20 0 EGADMP COc1cccc(OC)c1-c1ccccc1NC(=[NH2+])SCC[NH3+] ZINC001167915188 1383769488 /nfs/dbraw/zinc/76/94/88/1383769488.db2.gz FLAPWDQIBXOCTE-UHFFFAOYSA-N 2 1 331.441 3.409 20 0 EGADMP c1ncn(CC2CCC2)c1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167975203 1383784548 /nfs/dbraw/zinc/78/45/48/1383784548.db2.gz MAICHHMYUDCTLO-YQQQUEKLSA-N 2 1 328.504 3.178 20 0 EGADMP c1ncn(CC2CCC2)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167975203 1383784551 /nfs/dbraw/zinc/78/45/51/1383784551.db2.gz MAICHHMYUDCTLO-YQQQUEKLSA-N 2 1 328.504 3.178 20 0 EGADMP c1ncn(CC2CCC2)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167975203 1383784556 /nfs/dbraw/zinc/78/45/56/1383784556.db2.gz MAICHHMYUDCTLO-YQQQUEKLSA-N 2 1 328.504 3.178 20 0 EGADMP OC[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982854 1383786419 /nfs/dbraw/zinc/78/64/19/1383786419.db2.gz CRDAAKITTMGRKU-PFUJJPPESA-N 2 1 346.437 3.027 20 0 EGADMP OC[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982854 1383786422 /nfs/dbraw/zinc/78/64/22/1383786422.db2.gz CRDAAKITTMGRKU-PFUJJPPESA-N 2 1 346.437 3.027 20 0 EGADMP OC[C@@H]1[C@H](C(F)(F)F)CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167982854 1383786428 /nfs/dbraw/zinc/78/64/28/1383786428.db2.gz CRDAAKITTMGRKU-PFUJJPPESA-N 2 1 346.437 3.027 20 0 EGADMP OC[C@@H]1[C@H](C(F)(F)F)CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982854 1383786433 /nfs/dbraw/zinc/78/64/33/1383786433.db2.gz CRDAAKITTMGRKU-PFUJJPPESA-N 2 1 346.437 3.027 20 0 EGADMP O[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H]1Cc1ccccc1 ZINC001167989003 1383789046 /nfs/dbraw/zinc/78/90/46/1383789046.db2.gz RRFYAGNWXXUEHV-INSZXGISSA-N 2 1 340.511 3.070 20 0 EGADMP O[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@H]1Cc1ccccc1 ZINC001167989003 1383789048 /nfs/dbraw/zinc/78/90/48/1383789048.db2.gz RRFYAGNWXXUEHV-INSZXGISSA-N 2 1 340.511 3.070 20 0 EGADMP O[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@H]1Cc1ccccc1 ZINC001167989003 1383789050 /nfs/dbraw/zinc/78/90/50/1383789050.db2.gz RRFYAGNWXXUEHV-INSZXGISSA-N 2 1 340.511 3.070 20 0 EGADMP CCCCOC(=O)[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002801 1383793449 /nfs/dbraw/zinc/79/34/49/1383793449.db2.gz YMGRCSUSWVXZAU-KAKFPZCNSA-N 2 1 334.504 3.057 20 0 EGADMP CCCCOC(=O)[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168002801 1383793453 /nfs/dbraw/zinc/79/34/53/1383793453.db2.gz YMGRCSUSWVXZAU-KAKFPZCNSA-N 2 1 334.504 3.057 20 0 EGADMP CCCCOC(=O)[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168002801 1383793459 /nfs/dbraw/zinc/79/34/59/1383793459.db2.gz YMGRCSUSWVXZAU-KAKFPZCNSA-N 2 1 334.504 3.057 20 0 EGADMP C[C@H]1CC(NC[C@H]2CCC[N@@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168013571 1383797118 /nfs/dbraw/zinc/79/71/18/1383797118.db2.gz IBRWFXNIONSBMX-CMKODMSKSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2(C(N)=O)CCCCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168011763 1383797153 /nfs/dbraw/zinc/79/71/53/1383797153.db2.gz SBMGODIBPDVNBV-IZZQQSIFSA-N 2 1 343.515 3.206 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2(C(N)=O)CCCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011763 1383797155 /nfs/dbraw/zinc/79/71/55/1383797155.db2.gz SBMGODIBPDVNBV-IZZQQSIFSA-N 2 1 343.515 3.206 20 0 EGADMP CC[N@H+](CCC(=O)OC)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168058193 1383806055 /nfs/dbraw/zinc/80/60/55/1383806055.db2.gz PAIWBQZKBNLMCE-IRXDYDNUSA-N 2 1 332.488 3.313 20 0 EGADMP CC[N@@H+](CCC(=O)OC)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168058193 1383806058 /nfs/dbraw/zinc/80/60/58/1383806058.db2.gz PAIWBQZKBNLMCE-IRXDYDNUSA-N 2 1 332.488 3.313 20 0 EGADMP C[C@@H]1CC(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059280 1383806692 /nfs/dbraw/zinc/80/66/92/1383806692.db2.gz DCSZNCPGSKGDSJ-MKXGPGLRSA-N 2 1 329.532 3.452 20 0 EGADMP Cc1nc2c(n1[C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C1)C[NH2+]CC2 ZINC001168065305 1383808223 /nfs/dbraw/zinc/80/82/23/1383808223.db2.gz VOUXBFWIOKSHQK-HGKCTWBKSA-N 2 1 338.499 3.451 20 0 EGADMP COc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCO[C@H](C)C1 ZINC001168091823 1383814419 /nfs/dbraw/zinc/81/44/19/1383814419.db2.gz BPQLIBQUNKULTN-OWYHZJEWSA-N 2 1 332.488 3.335 20 0 EGADMP COc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCO[C@@H](C)C1 ZINC001168091821 1383814931 /nfs/dbraw/zinc/81/49/31/1383814931.db2.gz BPQLIBQUNKULTN-DSLXNQLJSA-N 2 1 332.488 3.335 20 0 EGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC001168179348 1383835663 /nfs/dbraw/zinc/83/56/63/1383835663.db2.gz JJSHZFYDUNBAJA-HNNXBMFYSA-N 2 1 340.895 3.088 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+]C1CCN(c3[nH+]cccc3C)CC1)C2 ZINC001168246129 1383853112 /nfs/dbraw/zinc/85/31/12/1383853112.db2.gz FSMOYNJLXOJROY-LJQANCHMSA-N 2 1 337.467 3.124 20 0 EGADMP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168329182 1383873856 /nfs/dbraw/zinc/87/38/56/1383873856.db2.gz OVVBUXLLGBUTGK-RDHHWEPZSA-N 2 1 339.524 3.237 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001168327394 1383874198 /nfs/dbraw/zinc/87/41/98/1383874198.db2.gz MFRPRYBRUUCPEG-GTPINHCMSA-N 2 1 339.524 3.238 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001168335253 1383875892 /nfs/dbraw/zinc/87/58/92/1383875892.db2.gz DUDYPBZSLBVYRV-OOFWQKGWSA-N 2 1 335.536 3.093 20 0 EGADMP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168344391 1383878965 /nfs/dbraw/zinc/87/89/65/1383878965.db2.gz APNHKQVRYZEDGB-MJGOQNOKSA-N 2 1 345.531 3.212 20 0 EGADMP C(O[C@H]1CCC[C@@H]2C[N@H+](C3CC[NH+](CC4CC4)CC3)C[C@@H]21)C1CC1 ZINC001168377410 1383889044 /nfs/dbraw/zinc/88/90/44/1383889044.db2.gz GPEMNRDAQLBCIX-GIVPXCGWSA-N 2 1 332.532 3.388 20 0 EGADMP CCCc1noc(C2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)n1 ZINC001168387837 1383891286 /nfs/dbraw/zinc/89/12/86/1383891286.db2.gz VWYOGLHHPPIKHD-UHFFFAOYSA-N 2 1 332.492 3.076 20 0 EGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCO2)cc1 ZINC001168590888 1383943896 /nfs/dbraw/zinc/94/38/96/1383943896.db2.gz SLUJGSDNKRSCBJ-BFMVXSJESA-N 2 1 330.472 3.130 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001168606193 1383947186 /nfs/dbraw/zinc/94/71/86/1383947186.db2.gz DDGOIIZACJJEFJ-UHFFFAOYSA-N 2 1 337.552 3.485 20 0 EGADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CCO[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001168673499 1383966171 /nfs/dbraw/zinc/96/61/71/1383966171.db2.gz RPUACICXIIZLMV-AZUAARDMSA-N 2 1 332.488 3.331 20 0 EGADMP C[NH+](C)CC(C)(C)CNc1c[nH+]c2c(Br)cccn12 ZINC001168768367 1383996534 /nfs/dbraw/zinc/99/65/34/1383996534.db2.gz CMYSEKVLPXZSCO-UHFFFAOYSA-N 2 1 325.254 3.097 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168886142 1384047244 /nfs/dbraw/zinc/04/72/44/1384047244.db2.gz XOCMLLOINKHXFL-HZPDHXFCSA-N 2 1 327.513 3.048 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)C2 ZINC001169078373 1384104073 /nfs/dbraw/zinc/10/40/73/1384104073.db2.gz DPQOOWIEIXLXAL-CLLJXQQHSA-N 2 1 327.241 3.303 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)C2 ZINC001169078373 1384104075 /nfs/dbraw/zinc/10/40/75/1384104075.db2.gz DPQOOWIEIXLXAL-CLLJXQQHSA-N 2 1 327.241 3.303 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]13)C2 ZINC001169090275 1384105115 /nfs/dbraw/zinc/10/51/15/1384105115.db2.gz JFMDVECBTJYIQY-VMQUQCCTSA-N 2 1 339.527 3.112 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]13)C2 ZINC001169090275 1384105118 /nfs/dbraw/zinc/10/51/18/1384105118.db2.gz JFMDVECBTJYIQY-VMQUQCCTSA-N 2 1 339.527 3.112 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]13)C2 ZINC001169090275 1384105121 /nfs/dbraw/zinc/10/51/21/1384105121.db2.gz JFMDVECBTJYIQY-VMQUQCCTSA-N 2 1 339.527 3.112 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]13)C2 ZINC001169090275 1384105124 /nfs/dbraw/zinc/10/51/24/1384105124.db2.gz JFMDVECBTJYIQY-VMQUQCCTSA-N 3 1 339.527 3.112 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]13)C2 ZINC001169090275 1384105125 /nfs/dbraw/zinc/10/51/25/1384105125.db2.gz JFMDVECBTJYIQY-VMQUQCCTSA-N 3 1 339.527 3.112 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]13)C2 ZINC001169090275 1384105131 /nfs/dbraw/zinc/10/51/31/1384105131.db2.gz JFMDVECBTJYIQY-VMQUQCCTSA-N 3 1 339.527 3.112 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]13)C2 ZINC001169090275 1384105132 /nfs/dbraw/zinc/10/51/32/1384105132.db2.gz JFMDVECBTJYIQY-VMQUQCCTSA-N 3 1 339.527 3.112 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140170 1384112299 /nfs/dbraw/zinc/11/22/99/1384112299.db2.gz IATQWFXNWIETGQ-XBJCXQGOSA-N 2 1 341.543 3.454 20 0 EGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1N(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169140170 1384112300 /nfs/dbraw/zinc/11/23/00/1384112300.db2.gz IATQWFXNWIETGQ-XBJCXQGOSA-N 2 1 341.543 3.454 20 0 EGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1N(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169140170 1384112302 /nfs/dbraw/zinc/11/23/02/1384112302.db2.gz IATQWFXNWIETGQ-XBJCXQGOSA-N 2 1 341.543 3.454 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169153572 1384116240 /nfs/dbraw/zinc/11/62/40/1384116240.db2.gz KZTXRBFDVLASFF-XDNAFOTISA-N 2 1 349.519 3.085 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169153572 1384116242 /nfs/dbraw/zinc/11/62/42/1384116242.db2.gz KZTXRBFDVLASFF-XDNAFOTISA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169153572 1384116244 /nfs/dbraw/zinc/11/62/44/1384116244.db2.gz KZTXRBFDVLASFF-XDNAFOTISA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169153572 1384116246 /nfs/dbraw/zinc/11/62/46/1384116246.db2.gz KZTXRBFDVLASFF-XDNAFOTISA-N 2 1 349.519 3.085 20 0 EGADMP Cc1cc(-n2ccc([C@@H](C)[NH3+])n2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001169228404 1384124873 /nfs/dbraw/zinc/12/48/73/1384124873.db2.gz PZSJIKQDPDFNAK-MRXNPFEDSA-N 2 1 347.466 3.154 20 0 EGADMP CCC[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](CC)CC1 ZINC001169264142 1384129412 /nfs/dbraw/zinc/12/94/12/1384129412.db2.gz IHIOZEPNFOLLCQ-KRWDZBQOSA-N 2 1 339.524 3.192 20 0 EGADMP CCC[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](CC)CC1 ZINC001169264142 1384129414 /nfs/dbraw/zinc/12/94/14/1384129414.db2.gz IHIOZEPNFOLLCQ-KRWDZBQOSA-N 2 1 339.524 3.192 20 0 EGADMP Cc1c[nH+]c(CC[NH3+])n1C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169276293 1384130719 /nfs/dbraw/zinc/13/07/19/1384130719.db2.gz ZDLOVXQZPIMRCU-UHFFFAOYSA-N 2 1 327.428 3.033 20 0 EGADMP CCC[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC001308638563 1384138302 /nfs/dbraw/zinc/13/83/02/1384138302.db2.gz GEINOLGWLBNDQJ-NRFANRHFSA-N 2 1 329.532 3.315 20 0 EGADMP CCC[C@H]1CN(CC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001308638563 1384138303 /nfs/dbraw/zinc/13/83/03/1384138303.db2.gz GEINOLGWLBNDQJ-NRFANRHFSA-N 2 1 329.532 3.315 20 0 EGADMP CCC[C@H]1CN(CC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001308638563 1384138305 /nfs/dbraw/zinc/13/83/05/1384138305.db2.gz GEINOLGWLBNDQJ-NRFANRHFSA-N 2 1 329.532 3.315 20 0 EGADMP Cc1ccccc1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001308758715 1384148057 /nfs/dbraw/zinc/14/80/57/1384148057.db2.gz USQROLVXFUHQFE-HSZRJFAPSA-N 2 1 349.522 3.387 20 0 EGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC001308802585 1384150970 /nfs/dbraw/zinc/15/09/70/1384150970.db2.gz UXUOBUNIAPJQLT-XHSDSOJGSA-N 2 1 348.478 3.454 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC001308802585 1384150971 /nfs/dbraw/zinc/15/09/71/1384150971.db2.gz UXUOBUNIAPJQLT-XHSDSOJGSA-N 2 1 348.478 3.454 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169729712 1384179642 /nfs/dbraw/zinc/17/96/42/1384179642.db2.gz UYRFALPFLFMYTN-QUCCMNQESA-N 2 1 343.515 3.145 20 0 EGADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169756311 1384183211 /nfs/dbraw/zinc/18/32/11/1384183211.db2.gz HZNQCXRYBFOCPG-AZUAARDMSA-N 2 1 343.515 3.132 20 0 EGADMP CN(C)c1cc(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc[nH+]1 ZINC001311078486 1384256815 /nfs/dbraw/zinc/25/68/15/1384256815.db2.gz KJSVMKXKCRPAHS-QGZVFWFLSA-N 2 1 345.491 3.066 20 0 EGADMP CN(C)c1cc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc[nH+]1 ZINC001311078486 1384256818 /nfs/dbraw/zinc/25/68/18/1384256818.db2.gz KJSVMKXKCRPAHS-QGZVFWFLSA-N 2 1 345.491 3.066 20 0 EGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1ccccc1Cl ZINC001170282715 1384282077 /nfs/dbraw/zinc/28/20/77/1384282077.db2.gz KEBNBKZWXHFHRT-OAHLLOKOSA-N 2 1 340.895 3.088 20 0 EGADMP Nc1cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH+]cc1F ZINC001170330405 1384292876 /nfs/dbraw/zinc/29/28/76/1384292876.db2.gz MDWFULQZHCRVRV-PHZGNYQRSA-N 2 1 326.419 3.410 20 0 EGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001170419535 1384314060 /nfs/dbraw/zinc/31/40/60/1384314060.db2.gz FOEWMIZAKBMMBT-TVFCKZIOSA-N 2 1 330.472 3.341 20 0 EGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001170419535 1384314063 /nfs/dbraw/zinc/31/40/63/1384314063.db2.gz FOEWMIZAKBMMBT-TVFCKZIOSA-N 2 1 330.472 3.341 20 0 EGADMP CC1(C)[C@@H]2C[C@@H]([NH+]3C[C@@H]4C[N@H+](CC5CCCC5)CCO[C@@H]4C3)C[C@@H]21 ZINC001170752028 1384378786 /nfs/dbraw/zinc/37/87/86/1384378786.db2.gz SVKUSXMXYPMCAM-WKWVNEEDSA-N 2 1 332.532 3.244 20 0 EGADMP CC1(C)[C@@H]2C[C@@H]([NH+]3C[C@@H]4C[N@@H+](CC5CCCC5)CCO[C@@H]4C3)C[C@@H]21 ZINC001170752028 1384378789 /nfs/dbraw/zinc/37/87/89/1384378789.db2.gz SVKUSXMXYPMCAM-WKWVNEEDSA-N 2 1 332.532 3.244 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3CCCOCC3)C[C@@H]21 ZINC001170823463 1384392260 /nfs/dbraw/zinc/39/22/60/1384392260.db2.gz UUKBACQQSWTSPK-BVOGOJNSSA-N 2 1 343.515 3.183 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3CCCOCC3)C[C@@H]21 ZINC001170823463 1384392269 /nfs/dbraw/zinc/39/22/69/1384392269.db2.gz UUKBACQQSWTSPK-BVOGOJNSSA-N 2 1 343.515 3.183 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCCOCC3)C[C@@H]21 ZINC001170823463 1384392270 /nfs/dbraw/zinc/39/22/70/1384392270.db2.gz UUKBACQQSWTSPK-BVOGOJNSSA-N 2 1 343.515 3.183 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCCOCC3)C[C@@H]21 ZINC001170823463 1384392272 /nfs/dbraw/zinc/39/22/72/1384392272.db2.gz UUKBACQQSWTSPK-BVOGOJNSSA-N 2 1 343.515 3.183 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4ccc(Br)cc4C3)C[C@@H]2C1 ZINC001170880060 1384403740 /nfs/dbraw/zinc/40/37/40/1384403740.db2.gz RUQSFWIAYRYRPB-HFTRVMKXSA-N 2 1 349.316 3.190 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCc4ccc(Br)cc4C3)C[C@@H]2C1 ZINC001170880060 1384403743 /nfs/dbraw/zinc/40/37/43/1384403743.db2.gz RUQSFWIAYRYRPB-HFTRVMKXSA-N 2 1 349.316 3.190 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCc4ccc(Br)cc4C3)C[C@@H]2C1 ZINC001170880060 1384403746 /nfs/dbraw/zinc/40/37/46/1384403746.db2.gz RUQSFWIAYRYRPB-HFTRVMKXSA-N 2 1 349.316 3.190 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1 ZINC001170878801 1384403885 /nfs/dbraw/zinc/40/38/85/1384403885.db2.gz REBSHMLZJZETTD-IRXDYDNUSA-N 2 1 348.535 3.461 20 0 EGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@@H]1CCc3cccc(Cl)c3C1)CC2 ZINC001170935889 1384414577 /nfs/dbraw/zinc/41/45/77/1384414577.db2.gz LGTAIDGEAVIUFB-OAHLLOKOSA-N 2 1 347.890 3.327 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171107240 1384447157 /nfs/dbraw/zinc/44/71/57/1384447157.db2.gz AGIGRLBPOYCVNI-KZNAEPCWSA-N 2 1 334.891 3.168 20 0 EGADMP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171331253 1384496116 /nfs/dbraw/zinc/49/61/16/1384496116.db2.gz XSUYPOIVSHZSRM-DSQZMVHQSA-N 2 1 337.552 3.482 20 0 EGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccnn2CC(F)(F)F)CC1(C)C ZINC001171630500 1384586737 /nfs/dbraw/zinc/58/67/37/1384586737.db2.gz PKHNMZBTZGSMKH-UHFFFAOYSA-N 2 1 332.414 3.186 20 0 EGADMP C[C@H]1C[C@@H](N[C@H]2CC[NH+](CC(C)(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC001171741897 1384621720 /nfs/dbraw/zinc/62/17/20/1384621720.db2.gz WWSTVGXQTSPMKD-YSIASYRMSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]1C[C@@H](N[C@H]2CC[NH+](CC(C)(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC001171741897 1384621722 /nfs/dbraw/zinc/62/17/22/1384621722.db2.gz WWSTVGXQTSPMKD-YSIASYRMSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]1C[C@@H](N[C@H]2CC[N@H+](CC(C)(C)C)C2)C[NH+]1Cc1ccccc1 ZINC001171741897 1384621726 /nfs/dbraw/zinc/62/17/26/1384621726.db2.gz WWSTVGXQTSPMKD-YSIASYRMSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]1C[C@@H](N[C@H]2CC[N@@H+](CC(C)(C)C)C2)C[NH+]1Cc1ccccc1 ZINC001171741897 1384621729 /nfs/dbraw/zinc/62/17/29/1384621729.db2.gz WWSTVGXQTSPMKD-YSIASYRMSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)[C@H]1Cc2cccc(F)c2C1 ZINC001171797715 1384641520 /nfs/dbraw/zinc/64/15/20/1384641520.db2.gz BFSQUYJPVHTDHK-DLBZAZTESA-N 2 1 346.490 3.305 20 0 EGADMP CCOC(CN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)OCC ZINC001171966361 1384697593 /nfs/dbraw/zinc/69/75/93/1384697593.db2.gz KMTMCNCDIJFGAV-SFHVURJKSA-N 2 1 334.504 3.418 20 0 EGADMP CCOC(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)OCC ZINC001171966361 1384697597 /nfs/dbraw/zinc/69/75/97/1384697597.db2.gz KMTMCNCDIJFGAV-SFHVURJKSA-N 2 1 334.504 3.418 20 0 EGADMP Cc1ncn([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1CC[NH3+] ZINC001171970071 1384698458 /nfs/dbraw/zinc/69/84/58/1384698458.db2.gz YCIWPNDNHHEJEZ-SFHVURJKSA-N 3 1 326.488 3.308 20 0 EGADMP CC1(C)C[C@H](n2ccnc2CCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171977501 1384702427 /nfs/dbraw/zinc/70/24/27/1384702427.db2.gz RTIONNPANZZADB-GOSISDBHSA-N 2 1 326.488 3.390 20 0 EGADMP Cc1nc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)no1 ZINC001172060488 1384714068 /nfs/dbraw/zinc/71/40/68/1384714068.db2.gz ARWPKZVFOARHCI-LDLYASANSA-N 2 1 340.471 3.096 20 0 EGADMP O[C@@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)(F)F ZINC001172072433 1384720735 /nfs/dbraw/zinc/72/07/35/1384720735.db2.gz MMRBLYKAEIYLNF-NXOAAHMSSA-N 2 1 342.405 3.085 20 0 EGADMP O[C@@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)(F)F ZINC001172072433 1384720740 /nfs/dbraw/zinc/72/07/40/1384720740.db2.gz MMRBLYKAEIYLNF-NXOAAHMSSA-N 2 1 342.405 3.085 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001316951446 1384725580 /nfs/dbraw/zinc/72/55/80/1384725580.db2.gz JTOZFWSPODUIGO-HXUWFJFHSA-N 2 1 349.563 3.413 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H]1CCC[NH+]1Cc1ccccc1)C2 ZINC001172110986 1384729175 /nfs/dbraw/zinc/72/91/75/1384729175.db2.gz NKHYTZYXXVBFPS-BURNTYAHSA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC001172110986 1384729178 /nfs/dbraw/zinc/72/91/78/1384729178.db2.gz NKHYTZYXXVBFPS-BURNTYAHSA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC001172110986 1384729182 /nfs/dbraw/zinc/72/91/82/1384729182.db2.gz NKHYTZYXXVBFPS-BURNTYAHSA-N 2 1 327.516 3.256 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)C2 ZINC001172110986 1384729184 /nfs/dbraw/zinc/72/91/84/1384729184.db2.gz NKHYTZYXXVBFPS-BURNTYAHSA-N 2 1 327.516 3.256 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)C2 ZINC001172110986 1384729189 /nfs/dbraw/zinc/72/91/89/1384729189.db2.gz NKHYTZYXXVBFPS-BURNTYAHSA-N 2 1 327.516 3.256 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(c3ccccc3)CCOCC1)C2 ZINC001172110673 1384729550 /nfs/dbraw/zinc/72/95/50/1384729550.db2.gz LHAXJYBMAFJIDA-ACDBMABISA-N 2 1 328.500 3.340 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(NC(=O)CC(C)(C)C)CC1)C2 ZINC001172123332 1384733909 /nfs/dbraw/zinc/73/39/09/1384733909.db2.gz BWUOAUZVIREWSM-BCDXTJNWSA-N 2 1 335.536 3.019 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(NC(=O)CC(C)(C)C)CC1)C2 ZINC001172123332 1384733912 /nfs/dbraw/zinc/73/39/12/1384733912.db2.gz BWUOAUZVIREWSM-BCDXTJNWSA-N 2 1 335.536 3.019 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccc3c1cccc3N1CC[NH2+]CC1)C2 ZINC001172120986 1384734065 /nfs/dbraw/zinc/73/40/65/1384734065.db2.gz AYXZNISUNBNJMR-PIIMJCKOSA-N 2 1 338.499 3.239 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(Cc4ccccc4O3)CC1)C2 ZINC001172127945 1384736225 /nfs/dbraw/zinc/73/62/25/1384736225.db2.gz MDQDLGLQALXPPG-REPLKXPHSA-N 2 1 326.484 3.471 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccc3cc(N4CC[NH2+]CC4)ccc31)C2 ZINC001172130508 1384737100 /nfs/dbraw/zinc/73/71/00/1384737100.db2.gz PELPBOUUOBQKTI-OPVJXMOQSA-N 2 1 338.499 3.239 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1)[NH+](CC)CC ZINC001316987762 1384743733 /nfs/dbraw/zinc/74/37/33/1384743733.db2.gz VKJIYFXWMROQSC-PMACEKPBSA-N 2 1 345.531 3.114 20 0 EGADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(-c3nccs3)cc2)CC1 ZINC001172246869 1384755118 /nfs/dbraw/zinc/75/51/18/1384755118.db2.gz YBZCBTBDHBGTFX-UHFFFAOYSA-N 2 1 345.512 3.401 20 0 EGADMP COCCC[NH+]1CCC([NH2+]Cc2cccc(OCC3CCC3)c2)CC1 ZINC001172247048 1384755705 /nfs/dbraw/zinc/75/57/05/1384755705.db2.gz BHPGVYHQTYVXGL-UHFFFAOYSA-N 2 1 346.515 3.456 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H](OCc3ccccc3)C2)CC1 ZINC001172253157 1384757281 /nfs/dbraw/zinc/75/72/81/1384757281.db2.gz DYPNNUSTFVUTPP-NRFANRHFSA-N 2 1 346.515 3.169 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H](OCc3ccccc3)C2)CC1 ZINC001172253157 1384757284 /nfs/dbraw/zinc/75/72/84/1384757284.db2.gz DYPNNUSTFVUTPP-NRFANRHFSA-N 2 1 346.515 3.169 20 0 EGADMP CC1(C)C[C@@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CO1 ZINC001172280830 1384758239 /nfs/dbraw/zinc/75/82/39/1384758239.db2.gz ZXAJNKBOIOTKBA-JHBMCFDKSA-N 2 1 334.463 3.130 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC[C@H](C[N@@H+](C)CCCC(C)(C)C)C1 ZINC001317038548 1384810457 /nfs/dbraw/zinc/81/04/57/1384810457.db2.gz KKCSSDMGNZSKAB-GOSISDBHSA-N 2 1 339.568 3.325 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC001172615722 1384820165 /nfs/dbraw/zinc/82/01/65/1384820165.db2.gz HLBZXJJVJHHPLJ-UYAOXDASSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC001172615722 1384820167 /nfs/dbraw/zinc/82/01/67/1384820167.db2.gz HLBZXJJVJHHPLJ-UYAOXDASSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001172767533 1384847487 /nfs/dbraw/zinc/84/74/87/1384847487.db2.gz HLQMIVOZXKWTJZ-AQNXPRMDSA-N 2 1 344.499 3.220 20 0 EGADMP CC(C)(C)OC(=O)C[NH+]1CCC(n2c(C[NH3+])cc3ccccc32)CC1 ZINC001172882019 1384871815 /nfs/dbraw/zinc/87/18/15/1384871815.db2.gz ACMSLBVTPBTDTF-UHFFFAOYSA-N 2 1 343.471 3.079 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001173059338 1384904261 /nfs/dbraw/zinc/90/42/61/1384904261.db2.gz VFZCJGHPFWLOHH-QZWWFDLISA-N 2 1 339.524 3.237 20 0 EGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)n1cc[nH+]c1CCC[NH3+] ZINC001173090254 1384912193 /nfs/dbraw/zinc/91/21/93/1384912193.db2.gz JJTCMGLXGSANLU-LBPRGKRZSA-N 2 1 327.350 3.477 20 0 EGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001173091714 1384912475 /nfs/dbraw/zinc/91/24/75/1384912475.db2.gz UUNWGQSYVQIEJV-ZENOOKHLSA-N 2 1 330.394 3.446 20 0 EGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001173091714 1384912479 /nfs/dbraw/zinc/91/24/79/1384912479.db2.gz UUNWGQSYVQIEJV-ZENOOKHLSA-N 2 1 330.394 3.446 20 0 EGADMP c1csc(C[N@H+]2C[C@@H]3C[NH+]([C@@H]4CCc5ncsc5C4)C[C@@H]3C2)c1 ZINC001173133282 1384920500 /nfs/dbraw/zinc/92/05/00/1384920500.db2.gz NFBIMJWAZNMOHN-QLFBSQMISA-N 2 1 345.537 3.126 20 0 EGADMP c1csc(C[N@@H+]2C[C@@H]3C[NH+]([C@@H]4CCc5ncsc5C4)C[C@@H]3C2)c1 ZINC001173133282 1384920501 /nfs/dbraw/zinc/92/05/01/1384920501.db2.gz NFBIMJWAZNMOHN-QLFBSQMISA-N 2 1 345.537 3.126 20 0 EGADMP c1csc(C[NH+]2C[C@@H]3C[N@H+]([C@@H]4CCc5ncsc5C4)C[C@@H]3C2)c1 ZINC001173133282 1384920502 /nfs/dbraw/zinc/92/05/02/1384920502.db2.gz NFBIMJWAZNMOHN-QLFBSQMISA-N 2 1 345.537 3.126 20 0 EGADMP c1csc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H]4CCc5ncsc5C4)C[C@@H]3C2)c1 ZINC001173133282 1384920503 /nfs/dbraw/zinc/92/05/03/1384920503.db2.gz NFBIMJWAZNMOHN-QLFBSQMISA-N 2 1 345.537 3.126 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)[C@@H]2CCc3ncsc3C2)CC1 ZINC001173131668 1384920544 /nfs/dbraw/zinc/92/05/44/1384920544.db2.gz LQWOQLPBTODMHL-DJIMGWMZSA-N 2 1 342.512 3.168 20 0 EGADMP COc1cccc2c1C[C@@H]([N@@H+](C)CC1CC[NH+](C(C)C)CC1)CO2 ZINC001173160913 1384927356 /nfs/dbraw/zinc/92/73/56/1384927356.db2.gz MMNACSPBPVGFQL-QGZVFWFLSA-N 2 1 332.488 3.051 20 0 EGADMP COc1cccc2c1C[C@@H]([N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C)CO2 ZINC001173163382 1384928582 /nfs/dbraw/zinc/92/85/82/1384928582.db2.gz DHTLMGQLINWHCB-OKZBNKHCSA-N 2 1 344.499 3.338 20 0 EGADMP COc1cccc2c1C[C@@H]([NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C)CO2 ZINC001173163382 1384928585 /nfs/dbraw/zinc/92/85/85/1384928585.db2.gz DHTLMGQLINWHCB-OKZBNKHCSA-N 2 1 344.499 3.338 20 0 EGADMP COc1cccc2c1C[C@@H]([NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C)CO2 ZINC001173163382 1384928586 /nfs/dbraw/zinc/92/85/86/1384928586.db2.gz DHTLMGQLINWHCB-OKZBNKHCSA-N 2 1 344.499 3.338 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317170740 1384937019 /nfs/dbraw/zinc/93/70/19/1384937019.db2.gz GXNRMBUPASNECW-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H]1CC[C@H]([N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001173281355 1384951587 /nfs/dbraw/zinc/95/15/87/1384951587.db2.gz XXVZOLOGNRWYLX-MSOLQXFVSA-N 2 1 330.520 3.306 20 0 EGADMP CCSC[C@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001173305292 1384954577 /nfs/dbraw/zinc/95/45/77/1384954577.db2.gz IMSXXNWPVIKWLX-SFHVURJKSA-N 2 1 348.556 3.495 20 0 EGADMP CC[N@@H+]1CC[C@@H](N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C1 ZINC001173363078 1384964351 /nfs/dbraw/zinc/96/43/51/1384964351.db2.gz LBFAZVHVKXIXSI-MRXNPFEDSA-N 2 1 344.890 3.104 20 0 EGADMP CC[N@H+]1CC[C@@H](N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C1 ZINC001173363078 1384964353 /nfs/dbraw/zinc/96/43/53/1384964353.db2.gz LBFAZVHVKXIXSI-MRXNPFEDSA-N 2 1 344.890 3.104 20 0 EGADMP CC(C)[N@@H+](CCC[NH3+])C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173411254 1384967680 /nfs/dbraw/zinc/96/76/80/1384967680.db2.gz XLFXYTRVWVSQCU-UHFFFAOYSA-N 2 1 337.895 3.004 20 0 EGADMP Cc1ccc[nH+]c1N1CCC([NH2+]C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173473878 1384976968 /nfs/dbraw/zinc/97/69/68/1384976968.db2.gz LUKIELMLLGNZPQ-UHFFFAOYSA-N 2 1 343.421 3.394 20 0 EGADMP C[C@@H]1CC([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173677487 1385001756 /nfs/dbraw/zinc/00/17/56/1385001756.db2.gz AIXKMYDBTDVRAM-HWMZRRJGSA-N 2 1 339.524 3.093 20 0 EGADMP C[C@@H]1CC([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173677487 1385001760 /nfs/dbraw/zinc/00/17/60/1385001760.db2.gz AIXKMYDBTDVRAM-HWMZRRJGSA-N 2 1 339.524 3.093 20 0 EGADMP CC(=O)Oc1ccc(C2CCC(n3c[nH+]cc3CC[NH3+])CC2)cc1 ZINC001173781414 1385016264 /nfs/dbraw/zinc/01/62/64/1385016264.db2.gz KBNSQGNMMCCHLS-UHFFFAOYSA-N 2 1 327.428 3.209 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001317280605 1385051484 /nfs/dbraw/zinc/05/14/84/1385051484.db2.gz SVVDXDDLWXGDFT-SJORKVTESA-N 2 1 341.499 3.337 20 0 EGADMP c1cc(Nc2ccc(C[NH+]3CCOCC3)cc2)cc(N2CCCC2)[nH+]1 ZINC001174447740 1385110730 /nfs/dbraw/zinc/11/07/30/1385110730.db2.gz JKJWWQPELBMNQJ-UHFFFAOYSA-N 2 1 338.455 3.258 20 0 EGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001174882333 1385164482 /nfs/dbraw/zinc/16/44/82/1385164482.db2.gz QJWOGSBVSJAOTN-ZWKOTPCHSA-N 2 1 325.541 3.173 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)Cc1c(C)cccc1C ZINC001317492079 1385192637 /nfs/dbraw/zinc/19/26/37/1385192637.db2.gz HTZSMNVDQQFJPK-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)Cc1c(C)cccc1C ZINC001317492079 1385192640 /nfs/dbraw/zinc/19/26/40/1385192640.db2.gz HTZSMNVDQQFJPK-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)Cc1c(C)cccc1C ZINC001317492079 1385192641 /nfs/dbraw/zinc/19/26/41/1385192641.db2.gz HTZSMNVDQQFJPK-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)Cc1c(C)cccc1C ZINC001317492077 1385192842 /nfs/dbraw/zinc/19/28/42/1385192842.db2.gz HTZSMNVDQQFJPK-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)Cc1c(C)cccc1C ZINC001317492077 1385192844 /nfs/dbraw/zinc/19/28/44/1385192844.db2.gz HTZSMNVDQQFJPK-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)Cc1c(C)cccc1C ZINC001317492077 1385192845 /nfs/dbraw/zinc/19/28/45/1385192845.db2.gz HTZSMNVDQQFJPK-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCCC1)[NH+](C)C ZINC001317509852 1385219193 /nfs/dbraw/zinc/21/91/93/1385219193.db2.gz PYTIDXNWMIGFHR-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175255430 1385229893 /nfs/dbraw/zinc/22/98/93/1385229893.db2.gz FLYZYZDTPFZOQX-SJORKVTESA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2C(C)C)C1 ZINC001317533494 1385262882 /nfs/dbraw/zinc/26/28/82/1385262882.db2.gz VZWYSXVAJLZLOW-SFHVURJKSA-N 2 1 345.531 3.090 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C(C)C)C1 ZINC001317533494 1385262886 /nfs/dbraw/zinc/26/28/86/1385262886.db2.gz VZWYSXVAJLZLOW-SFHVURJKSA-N 2 1 345.531 3.090 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2C(C)C)C1 ZINC001317533494 1385262890 /nfs/dbraw/zinc/26/28/90/1385262890.db2.gz VZWYSXVAJLZLOW-SFHVURJKSA-N 2 1 345.531 3.090 20 0 EGADMP COc1cccc(CN2CCN(C[C@@H]3CCCC[N@H+]3C(C)C)CC2)c1 ZINC001175492176 1385309196 /nfs/dbraw/zinc/30/91/96/1385309196.db2.gz NBUVQOQNQIVPJL-FQEVSTJZSA-N 2 1 345.531 3.076 20 0 EGADMP COc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C(C)C)CC2)c1 ZINC001175492176 1385309200 /nfs/dbraw/zinc/30/92/00/1385309200.db2.gz NBUVQOQNQIVPJL-FQEVSTJZSA-N 2 1 345.531 3.076 20 0 EGADMP COc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C(C)C)CC2)c1 ZINC001175492176 1385309212 /nfs/dbraw/zinc/30/92/12/1385309212.db2.gz NBUVQOQNQIVPJL-FQEVSTJZSA-N 2 1 345.531 3.076 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl ZINC001175529448 1385322930 /nfs/dbraw/zinc/32/29/30/1385322930.db2.gz WMRPQNHQMSNNBD-PMGBHYCQSA-N 2 1 340.899 3.024 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001176024954 1385463922 /nfs/dbraw/zinc/46/39/22/1385463922.db2.gz VOTUASIZYAIAAK-HOTGVXAUSA-N 2 1 347.494 3.028 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]C/C=C/c1ccccc1 ZINC001176024497 1385464137 /nfs/dbraw/zinc/46/41/37/1385464137.db2.gz PBTAUCBBSGZBKU-ATEOEAFZSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001176025000 1385465163 /nfs/dbraw/zinc/46/51/63/1385465163.db2.gz WIOOESRLMJCGGG-KRWDZBQOSA-N 2 1 325.541 3.173 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176164350 1385500385 /nfs/dbraw/zinc/50/03/85/1385500385.db2.gz BCSAWRKJBYLSAU-HKUYNNGSSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[C@H]1CC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001317809586 1385506280 /nfs/dbraw/zinc/50/62/80/1385506280.db2.gz QBWQFHPNGZTPHK-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC001317809586 1385506283 /nfs/dbraw/zinc/50/62/83/1385506283.db2.gz QBWQFHPNGZTPHK-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001317809586 1385506289 /nfs/dbraw/zinc/50/62/89/1385506289.db2.gz QBWQFHPNGZTPHK-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1c(C)cccc1C ZINC001176279855 1385536894 /nfs/dbraw/zinc/53/68/94/1385536894.db2.gz ROLUKKWZZIOBFD-LJQANCHMSA-N 2 1 347.547 3.410 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cccc(CC)c2)C1 ZINC001317988006 1385602117 /nfs/dbraw/zinc/60/21/17/1385602117.db2.gz RDMPYOKHKCYGFU-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(CC)c2)C1 ZINC001317988006 1385602123 /nfs/dbraw/zinc/60/21/23/1385602123.db2.gz RDMPYOKHKCYGFU-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(CC)c2)C1 ZINC001317988006 1385602127 /nfs/dbraw/zinc/60/21/27/1385602127.db2.gz RDMPYOKHKCYGFU-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176564028 1385626369 /nfs/dbraw/zinc/62/63/69/1385626369.db2.gz KDRUVLFDERBRPT-MJGOQNOKSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176565106 1385626702 /nfs/dbraw/zinc/62/67/02/1385626702.db2.gz SKHWUQUYIPOQGJ-PKOBYXMFSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001176592044 1385635459 /nfs/dbraw/zinc/63/54/59/1385635459.db2.gz ULEAPAAUXCHVEI-INIZCTEOSA-N 2 1 336.524 3.282 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001318300968 1385645589 /nfs/dbraw/zinc/64/55/89/1385645589.db2.gz IJBSZAGMALDQBF-DSQZMVHQSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+][C@@H](C)c1ccccc1 ZINC001176759564 1385685480 /nfs/dbraw/zinc/68/54/80/1385685480.db2.gz JZODPCHDMFOOAO-MSOLQXFVSA-N 2 1 333.520 3.352 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)C[N@@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC001176975125 1385759738 /nfs/dbraw/zinc/75/97/38/1385759738.db2.gz KBCOGUKANYPGNK-KRWDZBQOSA-N 2 1 339.911 3.227 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001176991993 1385766053 /nfs/dbraw/zinc/76/60/53/1385766053.db2.gz GVHRJWRQKNSHKP-IEBWSBKVSA-N 2 1 331.504 3.026 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001177324028 1385914595 /nfs/dbraw/zinc/91/45/95/1385914595.db2.gz OGOMIIGVNKRAON-KRWDZBQOSA-N 2 1 348.535 3.415 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(CCC[NH2+]CCC(C)C)CC1CCCC1 ZINC001177368366 1385931576 /nfs/dbraw/zinc/93/15/76/1385931576.db2.gz DDFMYSAENFMWKO-UHFFFAOYSA-N 2 1 348.535 3.236 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC001319090616 1385957345 /nfs/dbraw/zinc/95/73/45/1385957345.db2.gz RYBYFOVBSYJIIG-MISYRCLQSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001319090616 1385957351 /nfs/dbraw/zinc/95/73/51/1385957351.db2.gz RYBYFOVBSYJIIG-MISYRCLQSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001319090616 1385957355 /nfs/dbraw/zinc/95/73/55/1385957355.db2.gz RYBYFOVBSYJIIG-MISYRCLQSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CCC[NH2+]CCC(C)C)CC1CCCC1 ZINC001177468888 1385968272 /nfs/dbraw/zinc/96/82/72/1385968272.db2.gz MSYPVSQNSQTHNU-UHFFFAOYSA-N 2 1 339.568 3.373 20 0 EGADMP CCCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001177477773 1385971032 /nfs/dbraw/zinc/97/10/32/1385971032.db2.gz LXWKBWJZWIJDMR-LJQANCHMSA-N 2 1 337.552 3.127 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N(CCC[NH2+]CC2CCCC2)CC2CCCC2)C1 ZINC001177477552 1385971257 /nfs/dbraw/zinc/97/12/57/1385971257.db2.gz GJDBMUQNDFZUEJ-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP CC/C=C/CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001177477844 1385972308 /nfs/dbraw/zinc/97/23/08/1385972308.db2.gz NGVUXMXRENKSQS-SGSXCFNPSA-N 2 1 349.563 3.293 20 0 EGADMP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]Cc3cccc4c3OCC4)C2)cc1 ZINC001177669074 1386019172 /nfs/dbraw/zinc/01/91/72/1386019172.db2.gz PCSLUHLGAYGQOX-LJQANCHMSA-N 2 1 336.479 3.276 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]Cc3cccc4c3OCC4)C2)cc1 ZINC001177669074 1386019175 /nfs/dbraw/zinc/01/91/75/1386019175.db2.gz PCSLUHLGAYGQOX-LJQANCHMSA-N 2 1 336.479 3.276 20 0 EGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001178468142 1386226324 /nfs/dbraw/zinc/22/63/24/1386226324.db2.gz PJXZKGCHFOOBDC-SFFCAUCYSA-N 2 1 337.552 3.482 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001178634270 1386265479 /nfs/dbraw/zinc/26/54/79/1386265479.db2.gz QYFPVLAFDNQXTN-SFHVURJKSA-N 2 1 325.541 3.317 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001178687995 1386277704 /nfs/dbraw/zinc/27/77/04/1386277704.db2.gz BJNHKOMKTLAMHW-MOPGFXCFSA-N 2 1 339.568 3.277 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001178698916 1386282630 /nfs/dbraw/zinc/28/26/30/1386282630.db2.gz ZLTDUCKFXAPMES-SJORKVTESA-N 2 1 334.508 3.073 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC001319755260 1386282715 /nfs/dbraw/zinc/28/27/15/1386282715.db2.gz OTTAOZFHZZCNRX-PKOBYXMFSA-N 2 1 326.488 3.314 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC001319755260 1386282721 /nfs/dbraw/zinc/28/27/21/1386282721.db2.gz OTTAOZFHZZCNRX-PKOBYXMFSA-N 2 1 326.488 3.314 20 0 EGADMP Cc1ccccc1C[NH2+]CCCCCCNC(=O)C[N@H+](C)C1CCC1 ZINC001178702338 1386283198 /nfs/dbraw/zinc/28/31/98/1386283198.db2.gz MCGXPONAKFZKDF-UHFFFAOYSA-N 2 1 345.531 3.246 20 0 EGADMP CC(C)=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707943 1386284866 /nfs/dbraw/zinc/28/48/66/1386284866.db2.gz OZJQRHALHBHSLK-NSHGMRRFSA-N 2 1 347.547 3.186 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001178735921 1386292392 /nfs/dbraw/zinc/29/23/92/1386292392.db2.gz KNBSPSRHOBJTOH-DXTMHIJLSA-N 2 1 335.536 3.042 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001178735920 1386292450 /nfs/dbraw/zinc/29/24/50/1386292450.db2.gz KNBSPSRHOBJTOH-DCHFITGZSA-N 2 1 335.536 3.042 20 0 EGADMP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001178833264 1386322293 /nfs/dbraw/zinc/32/22/93/1386322293.db2.gz RLBDIFJKBONTIG-GOSISDBHSA-N 2 1 325.541 3.173 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001178853339 1386329348 /nfs/dbraw/zinc/32/93/48/1386329348.db2.gz HGCFFONNINVXPE-UHFFFAOYSA-N 2 1 339.568 3.419 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]CCc1ccccc1 ZINC001178854153 1386329358 /nfs/dbraw/zinc/32/93/58/1386329358.db2.gz VYRNRZADBSSTCW-UHFFFAOYSA-N 2 1 347.547 3.226 20 0 EGADMP CCC/C=C\CC[NH2+]CCCCCCNC(=O)Cn1c[nH+]cc1C ZINC001179029728 1386382507 /nfs/dbraw/zinc/38/25/07/1386382507.db2.gz QXALQNUMMXSDJQ-WAYWQWQTSA-N 2 1 334.508 3.204 20 0 EGADMP CC(C)=CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001179234723 1386428173 /nfs/dbraw/zinc/42/81/73/1386428173.db2.gz XRFLCCDYYHFKPS-HKUYNNGSSA-N 2 1 335.536 3.186 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]CC=C(C)C)C1 ZINC001179358017 1386462839 /nfs/dbraw/zinc/46/28/39/1386462839.db2.gz QLEGPZODZYBJRN-LJQANCHMSA-N 2 1 337.552 3.341 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179382859 1386468177 /nfs/dbraw/zinc/46/81/77/1386468177.db2.gz DEZLBCUPYCDXIE-SQNIBIBYSA-N 2 1 325.541 3.029 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001179395026 1386473965 /nfs/dbraw/zinc/47/39/65/1386473965.db2.gz DBXWWNOPRDCWGL-FUHWJXTLSA-N 2 1 348.535 3.066 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C)c1ccccc1 ZINC001179549556 1386512260 /nfs/dbraw/zinc/51/22/60/1386512260.db2.gz DXODJTZKQHYSRI-AOIWGVFYSA-N 2 1 345.531 3.305 20 0 EGADMP C[C@@H]([NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001179585711 1386524406 /nfs/dbraw/zinc/52/44/06/1386524406.db2.gz JRXQJGJUUCVXRN-RBUKOAKNSA-N 2 1 345.531 3.356 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179630911 1386536016 /nfs/dbraw/zinc/53/60/16/1386536016.db2.gz YZPRKQRJTKPTCI-OPDSQHBBSA-N 2 1 346.519 3.332 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001179714162 1386562133 /nfs/dbraw/zinc/56/21/33/1386562133.db2.gz IEYQOBHECBXLIB-UHFFFAOYSA-N 2 1 334.508 3.073 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001179741781 1386568561 /nfs/dbraw/zinc/56/85/61/1386568561.db2.gz ODXXETBNAKODPH-UHFFFAOYSA-N 2 1 348.535 3.463 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001179823762 1386596831 /nfs/dbraw/zinc/59/68/31/1386596831.db2.gz AJEZGDNPHGKRAU-UHFFFAOYSA-N 2 1 334.508 3.038 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C(C)C)cc2)[C@@H]1C ZINC001179857217 1386609436 /nfs/dbraw/zinc/60/94/36/1386609436.db2.gz YDLMVOLTCSSMPH-PXNSSMCTSA-N 2 1 345.531 3.231 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1cccc(C)c1 ZINC001179988439 1386659858 /nfs/dbraw/zinc/65/98/58/1386659858.db2.gz HHXXNWAANRPHHO-UHFFFAOYSA-N 2 1 333.520 3.103 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001180369832 1386776549 /nfs/dbraw/zinc/77/65/49/1386776549.db2.gz ZWMQQSDIDKQKJW-HXUWFJFHSA-N 2 1 345.531 3.280 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001180369659 1386776766 /nfs/dbraw/zinc/77/67/66/1386776766.db2.gz QWHAFKFDGYMGTB-UHFFFAOYSA-N 2 1 325.541 3.173 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001180372879 1386777564 /nfs/dbraw/zinc/77/75/64/1386777564.db2.gz KHBJZFJLCBBJPS-SFHVURJKSA-N 2 1 325.541 3.317 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001180452135 1386801282 /nfs/dbraw/zinc/80/12/82/1386801282.db2.gz NCKVSSBWWYAHHN-UHFFFAOYSA-N 2 1 347.547 3.431 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001180452135 1386801287 /nfs/dbraw/zinc/80/12/87/1386801287.db2.gz NCKVSSBWWYAHHN-UHFFFAOYSA-N 2 1 347.547 3.431 20 0 EGADMP CC(C)(C)OC(=O)C1CC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001181276065 1386970702 /nfs/dbraw/zinc/97/07/02/1386970702.db2.gz IRKXEWKPIZILLO-HTWSVDAQSA-N 2 1 336.520 3.493 20 0 EGADMP Cc1cc(C[N@@H+](C)C[C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)cs1 ZINC001322257077 1387123950 /nfs/dbraw/zinc/12/39/50/1387123950.db2.gz CVMITOPDXQCJFE-CQSZACIVSA-N 2 1 348.516 3.013 20 0 EGADMP Cc1cc(C[N@H+](C)C[C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)cs1 ZINC001322257077 1387123953 /nfs/dbraw/zinc/12/39/53/1387123953.db2.gz CVMITOPDXQCJFE-CQSZACIVSA-N 2 1 348.516 3.013 20 0 EGADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001336890031 1389197566 /nfs/dbraw/zinc/19/75/66/1389197566.db2.gz ZOXYNNZJADBABQ-WFXMLNOXSA-N 2 1 338.499 3.343 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001338019775 1389519418 /nfs/dbraw/zinc/51/94/18/1389519418.db2.gz FLSCXIYKBILXCZ-FUHWJXTLSA-N 2 1 349.544 3.218 20 0 EGADMP C[C@H](CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC001331000299 1389591727 /nfs/dbraw/zinc/59/17/27/1389591727.db2.gz NGPCASAXNNNOCI-KGLIPLIRSA-N 2 1 337.895 3.366 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001331031747 1389604020 /nfs/dbraw/zinc/60/40/20/1389604020.db2.gz ZHYZLBMBELSFHV-HKUYNNGSSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@H](C)C[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001331031747 1389604023 /nfs/dbraw/zinc/60/40/23/1389604023.db2.gz ZHYZLBMBELSFHV-HKUYNNGSSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@H](C)C[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001331031747 1389604027 /nfs/dbraw/zinc/60/40/27/1389604027.db2.gz ZHYZLBMBELSFHV-HKUYNNGSSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001698746036 1406397484 /nfs/dbraw/zinc/39/74/84/1406397484.db2.gz IIWDVTZZTGEGJX-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP Cc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C2)c1 ZINC001332031247 1389952760 /nfs/dbraw/zinc/95/27/60/1389952760.db2.gz WULBNCPQBJIHGE-PKOBYXMFSA-N 2 1 345.531 3.052 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H]2C)cs1 ZINC001332183540 1390026694 /nfs/dbraw/zinc/02/66/94/1390026694.db2.gz DDGJMBJRCNZUDA-RDJZCZTQSA-N 2 1 349.544 3.010 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC001340032685 1390211844 /nfs/dbraw/zinc/21/18/44/1390211844.db2.gz FBNHLYANYHRMMI-ZWQIFLOQSA-N 2 1 327.472 3.140 20 0 EGADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3)s2)CC1 ZINC001333353337 1390288189 /nfs/dbraw/zinc/28/81/89/1390288189.db2.gz SWIGUCVHZNBCQF-UHFFFAOYSA-N 2 1 345.512 3.135 20 0 EGADMP CSCC[C@H]([NH3+])CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001340803489 1390371500 /nfs/dbraw/zinc/37/15/00/1390371500.db2.gz LAQUGCCCGNHCTO-WBVHZDCISA-N 2 1 349.544 3.470 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@H]([NH3+])C(C)(C)C ZINC001340871568 1390390134 /nfs/dbraw/zinc/39/01/34/1390390134.db2.gz IJOHFSMLHUTTTP-WBQJQJEBSA-N 2 1 345.531 3.023 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H](C[NH3+])c2ccccc2)cc1Cl ZINC001333750509 1390392411 /nfs/dbraw/zinc/39/24/11/1390392411.db2.gz MQNMPTFROJHPQR-INIZCTEOSA-N 2 1 331.847 3.083 20 0 EGADMP C[C@H]([NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCCC1)c1ccccc1 ZINC001698804520 1406484532 /nfs/dbraw/zinc/48/45/32/1406484532.db2.gz KHZCTGWAQQTMHW-MSOLQXFVSA-N 2 1 343.515 3.108 20 0 EGADMP CC(C)CC(CC(C)C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001351222054 1391612801 /nfs/dbraw/zinc/61/28/01/1391612801.db2.gz YHZSWAUIMRSUJS-UHFFFAOYSA-N 2 1 346.519 3.480 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001698845891 1406546229 /nfs/dbraw/zinc/54/62/29/1406546229.db2.gz QNMSBJVXESOIRD-ROUUACIJSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001698845889 1406546430 /nfs/dbraw/zinc/54/64/30/1406546430.db2.gz QNMSBJVXESOIRD-MSOLQXFVSA-N 2 1 347.547 3.470 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCC1CC1 ZINC001479829256 1392416625 /nfs/dbraw/zinc/41/66/25/1392416625.db2.gz LMSVUNZJKDCXJC-SJLPKXTDSA-N 2 1 346.519 3.166 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001480265965 1392650604 /nfs/dbraw/zinc/65/06/04/1392650604.db2.gz TUTBQUNNFBGRCR-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001480265965 1392650613 /nfs/dbraw/zinc/65/06/13/1392650613.db2.gz TUTBQUNNFBGRCR-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001480265965 1392650652 /nfs/dbraw/zinc/65/06/52/1392650652.db2.gz TUTBQUNNFBGRCR-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(CC)c1 ZINC001480333691 1392692554 /nfs/dbraw/zinc/69/25/54/1392692554.db2.gz VEARWWCERQPOBG-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(CC)c1 ZINC001480333691 1392692556 /nfs/dbraw/zinc/69/25/56/1392692556.db2.gz VEARWWCERQPOBG-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(CC)c1 ZINC001480333691 1392692559 /nfs/dbraw/zinc/69/25/59/1392692559.db2.gz VEARWWCERQPOBG-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP C[N@@H+](CCCC1CCC1)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001480873644 1392993373 /nfs/dbraw/zinc/99/33/73/1392993373.db2.gz INAAMCWUDYUGNI-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCCC1CCC1)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001480873644 1392993376 /nfs/dbraw/zinc/99/33/76/1392993376.db2.gz INAAMCWUDYUGNI-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCCC1CCC1)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001480873644 1392993380 /nfs/dbraw/zinc/99/33/80/1392993380.db2.gz INAAMCWUDYUGNI-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC(CC(=O)NC[C@H]2CCC[N@H+]2CCCC2CCCC2)CC1 ZINC001481060869 1393109908 /nfs/dbraw/zinc/10/99/08/1393109908.db2.gz MPVLAAGHKXOCES-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C1CCCCC1 ZINC001698882130 1406611996 /nfs/dbraw/zinc/61/19/96/1406611996.db2.gz UVKHKIADDNQJAW-VQTJNVASSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001481424061 1394281037 /nfs/dbraw/zinc/28/10/37/1394281037.db2.gz NGYYRKGQLLSSDE-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001481424061 1394281039 /nfs/dbraw/zinc/28/10/39/1394281039.db2.gz NGYYRKGQLLSSDE-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001481424061 1394281044 /nfs/dbraw/zinc/28/10/44/1394281044.db2.gz NGYYRKGQLLSSDE-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491109843 1394431204 /nfs/dbraw/zinc/43/12/04/1394431204.db2.gz NHBBGOITUQMOPL-ZWKOTPCHSA-N 2 1 343.515 3.060 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001491120638 1394439356 /nfs/dbraw/zinc/43/93/56/1394439356.db2.gz PIPFKMJPAZMXPN-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481690515 1394452053 /nfs/dbraw/zinc/45/20/53/1394452053.db2.gz IXUSIZBYUAZMQP-KRWDZBQOSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001481690515 1394452055 /nfs/dbraw/zinc/45/20/55/1394452055.db2.gz IXUSIZBYUAZMQP-KRWDZBQOSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001481690515 1394452056 /nfs/dbraw/zinc/45/20/56/1394452056.db2.gz IXUSIZBYUAZMQP-KRWDZBQOSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH]cn1 ZINC001491211065 1394472852 /nfs/dbraw/zinc/47/28/52/1394472852.db2.gz XSFZSBBQMQUZRR-QGZVFWFLSA-N 2 1 334.508 3.139 20 0 EGADMP CC(C)(C)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1cnc[nH]1 ZINC001491211065 1394472856 /nfs/dbraw/zinc/47/28/56/1394472856.db2.gz XSFZSBBQMQUZRR-QGZVFWFLSA-N 2 1 334.508 3.139 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCC[C@@H]1CNC(=O)CCc1cnc[nH]1 ZINC001491211065 1394472858 /nfs/dbraw/zinc/47/28/58/1394472858.db2.gz XSFZSBBQMQUZRR-QGZVFWFLSA-N 2 1 334.508 3.139 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC(CC[NH+](C)CC3CC3)CC2)C1 ZINC001698954627 1406700141 /nfs/dbraw/zinc/70/01/41/1406700141.db2.gz ZYYZXOUSORLHAK-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC(CC[N@H+](C)CC3CC3)CC2)C1 ZINC001698954627 1406700142 /nfs/dbraw/zinc/70/01/42/1406700142.db2.gz ZYYZXOUSORLHAK-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC(CC[N@@H+](C)CC3CC3)CC2)C1 ZINC001698954627 1406700143 /nfs/dbraw/zinc/70/01/43/1406700143.db2.gz ZYYZXOUSORLHAK-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CC2CC2)CC1 ZINC001482505328 1395058194 /nfs/dbraw/zinc/05/81/94/1395058194.db2.gz HKBUENMZQQKCLA-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CC2CC2)CC1 ZINC001482505328 1395058196 /nfs/dbraw/zinc/05/81/96/1395058196.db2.gz HKBUENMZQQKCLA-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CC2CC2)CC1 ZINC001482505328 1395058201 /nfs/dbraw/zinc/05/82/01/1395058201.db2.gz HKBUENMZQQKCLA-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC001483913103 1395142057 /nfs/dbraw/zinc/14/20/57/1395142057.db2.gz SMKHKPUCZYATJE-WMZOPIPTSA-N 2 1 339.568 3.370 20 0 EGADMP C[N@@H+](CC(=O)NC1(C)CC[NH+](Cc2ccccc2)CC1)CC(C)(C)C ZINC001483970595 1395169535 /nfs/dbraw/zinc/16/95/35/1395169535.db2.gz FFEVLEFSMMOKLS-UHFFFAOYSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@@H](C(=O)N(C)CCC[N@@H+](C)[C@H](C)c1cccc(C)c1)[NH+](C)C ZINC001484765818 1395519430 /nfs/dbraw/zinc/51/94/30/1395519430.db2.gz SVWKDENUQANJGT-MJGOQNOKSA-N 2 1 333.520 3.177 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CCC1CCCCCC1)C1CC1 ZINC001493402262 1396339643 /nfs/dbraw/zinc/33/96/43/1396339643.db2.gz XXHMTORTXSISIH-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CC[NH+](CCC)CC1 ZINC001690136645 1404334966 /nfs/dbraw/zinc/33/49/66/1404334966.db2.gz RGYMRRNQVCSOQI-UHFFFAOYSA-N 2 1 325.541 3.077 20 0 EGADMP CC(C)(C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCC1)[NH+]1CCCCC1 ZINC001690446141 1404569225 /nfs/dbraw/zinc/56/92/25/1404569225.db2.gz LJTYGTDZRDCFFV-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CCc1ccccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001690455159 1404583708 /nfs/dbraw/zinc/58/37/08/1404583708.db2.gz QNKRXFFVZUPPBS-UXHICEINSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+]1CCC1CC1 ZINC001690492737 1404606137 /nfs/dbraw/zinc/60/61/37/1404606137.db2.gz UJHNTZUPJCQGLZ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC1CC1 ZINC001690492737 1404606142 /nfs/dbraw/zinc/60/61/42/1404606142.db2.gz UJHNTZUPJCQGLZ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+]1CCC1CC1 ZINC001690492737 1404606144 /nfs/dbraw/zinc/60/61/44/1404606144.db2.gz UJHNTZUPJCQGLZ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001690505127 1404617812 /nfs/dbraw/zinc/61/78/12/1404617812.db2.gz OCOYMJMTMMJLNI-UYAOXDASSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001690684059 1404689360 /nfs/dbraw/zinc/68/93/60/1404689360.db2.gz NJEDMPJUEYWKPF-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1c(C(=O)NC[C@@H](C)[N@H+](C)C[C@@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001725176263 1425692590 /nfs/dbraw/zinc/69/25/90/1425692590.db2.gz YUVJYEVKMPAQJF-JKSUJKDBSA-N 2 1 344.503 3.375 20 0 EGADMP Cc1c(C(=O)NC[C@H](C)[N@H+](C)C[C@@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001725176261 1425693031 /nfs/dbraw/zinc/69/30/31/1425693031.db2.gz YUVJYEVKMPAQJF-HOTGVXAUSA-N 2 1 344.503 3.375 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)CCNC(=O)C[NH+]2CC[C@H](C)C2)cc1 ZINC001690978627 1404888396 /nfs/dbraw/zinc/88/83/96/1404888396.db2.gz YDTNGDINSYSYEQ-ZWKOTPCHSA-N 2 1 345.531 3.261 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+](C)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001690978627 1404888404 /nfs/dbraw/zinc/88/84/04/1404888404.db2.gz YDTNGDINSYSYEQ-ZWKOTPCHSA-N 2 1 345.531 3.261 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+](C)CCNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001690978627 1404888409 /nfs/dbraw/zinc/88/84/09/1404888409.db2.gz YDTNGDINSYSYEQ-ZWKOTPCHSA-N 2 1 345.531 3.261 20 0 EGADMP CC(C)(C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001691143005 1405076581 /nfs/dbraw/zinc/07/65/81/1405076581.db2.gz ILMGETKLJUMMJY-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC2(C[C@@H]1C)CC[NH+](C(C)C)CC2 ZINC001691960486 1405678129 /nfs/dbraw/zinc/67/81/29/1405678129.db2.gz RPXBXWACEMBWTD-KRWDZBQOSA-N 2 1 346.519 3.083 20 0 EGADMP CCC(CC)C[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001691984400 1405697155 /nfs/dbraw/zinc/69/71/55/1405697155.db2.gz HDVZYRDQMXBPJN-SFHVURJKSA-N 2 1 348.535 3.223 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001691984400 1405697162 /nfs/dbraw/zinc/69/71/62/1405697162.db2.gz HDVZYRDQMXBPJN-SFHVURJKSA-N 2 1 348.535 3.223 20 0 EGADMP CC1CC(C[N@@H+](C)CC2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001692030531 1405747612 /nfs/dbraw/zinc/74/76/12/1405747612.db2.gz VGXSFYIZPUCINY-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001692114133 1405778361 /nfs/dbraw/zinc/77/83/61/1405778361.db2.gz IWRMLCOWEBQHSH-DPZZJQGRSA-N 2 1 343.515 3.055 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001692114133 1405778365 /nfs/dbraw/zinc/77/83/65/1405778365.db2.gz IWRMLCOWEBQHSH-DPZZJQGRSA-N 2 1 343.515 3.055 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001692114133 1405778367 /nfs/dbraw/zinc/77/83/67/1405778367.db2.gz IWRMLCOWEBQHSH-DPZZJQGRSA-N 2 1 343.515 3.055 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001692114133 1405778372 /nfs/dbraw/zinc/77/83/72/1405778372.db2.gz IWRMLCOWEBQHSH-DPZZJQGRSA-N 2 1 343.515 3.055 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001692162382 1405813368 /nfs/dbraw/zinc/81/33/68/1405813368.db2.gz SBQYONJSSAINOO-IBGZPJMESA-N 2 1 335.536 3.023 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001732072897 1428322293 /nfs/dbraw/zinc/32/22/93/1428322293.db2.gz JICIJWDLERUSFX-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001732091786 1428358622 /nfs/dbraw/zinc/35/86/22/1428358622.db2.gz XWIKHJOZLJUYNQ-XUVXKRRUSA-N 2 1 345.531 3.305 20 0 EGADMP CC(C)[NH2+]CCC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001732297651 1428518281 /nfs/dbraw/zinc/51/82/81/1428518281.db2.gz DOSGOAFVYDKHBJ-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCC3CCCCCC3)CCCC2)C1 ZINC001732399147 1428565495 /nfs/dbraw/zinc/56/54/95/1428565495.db2.gz VYNCLVXAMFZSRA-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001699450713 1412789813 /nfs/dbraw/zinc/78/98/13/1412789813.db2.gz LUWQCIMFWMTYDW-CQSZACIVSA-N 2 1 330.476 3.129 20 0 EGADMP CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)c1ccc2ccccc2c1 ZINC001699788780 1413194542 /nfs/dbraw/zinc/19/45/42/1413194542.db2.gz GWRPYZQJKHDHRJ-HXUWFJFHSA-N 2 1 339.483 3.091 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@]1(C)CC[N@H+](CCC2CCCCCC2)C1 ZINC001699825506 1413251053 /nfs/dbraw/zinc/25/10/53/1413251053.db2.gz MYYOPTIYBHINRF-FQEVSTJZSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@]1(C)CC[N@@H+](CCC2CCCCCC2)C1 ZINC001699825506 1413251054 /nfs/dbraw/zinc/25/10/54/1413251054.db2.gz MYYOPTIYBHINRF-FQEVSTJZSA-N 2 1 346.519 3.133 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001700190678 1413619260 /nfs/dbraw/zinc/61/92/60/1413619260.db2.gz HTKZUEWFFNZCKM-QGZVFWFLSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001700190678 1413619262 /nfs/dbraw/zinc/61/92/62/1413619262.db2.gz HTKZUEWFFNZCKM-QGZVFWFLSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001700190678 1413619266 /nfs/dbraw/zinc/61/92/66/1413619266.db2.gz HTKZUEWFFNZCKM-QGZVFWFLSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C)cc2)CC1(C)C ZINC001700293249 1413749547 /nfs/dbraw/zinc/74/95/47/1413749547.db2.gz CPXRDGMZULOPCQ-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)CC1(C)C ZINC001700293249 1413749548 /nfs/dbraw/zinc/74/95/48/1413749548.db2.gz CPXRDGMZULOPCQ-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)CC1(C)C ZINC001700293249 1413749551 /nfs/dbraw/zinc/74/95/51/1413749551.db2.gz CPXRDGMZULOPCQ-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001700365052 1413886361 /nfs/dbraw/zinc/88/63/61/1413886361.db2.gz XIUFSYNPSGJGDA-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001700459796 1414055470 /nfs/dbraw/zinc/05/54/70/1414055470.db2.gz DZOSKUFROKWGHT-SJLPKXTDSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001700459795 1414055663 /nfs/dbraw/zinc/05/56/63/1414055663.db2.gz DZOSKUFROKWGHT-FUHWJXTLSA-N 2 1 331.504 3.059 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001700487720 1414136092 /nfs/dbraw/zinc/13/60/92/1414136092.db2.gz NQZFCGKHSRPTPB-DLBZAZTESA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)Cc2cc(C)ccc2C)CC1 ZINC001700697235 1414355424 /nfs/dbraw/zinc/35/54/24/1414355424.db2.gz XUIQGBBHYHWGIQ-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)Cc2cc(C)ccc2C)CC1 ZINC001700697235 1414355427 /nfs/dbraw/zinc/35/54/27/1414355427.db2.gz XUIQGBBHYHWGIQ-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)Cc2cc(C)ccc2C)CC1 ZINC001700697235 1414355431 /nfs/dbraw/zinc/35/54/31/1414355431.db2.gz XUIQGBBHYHWGIQ-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CCc1cccc(C[NH+]2CCC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H]2C)c1 ZINC001700885930 1414544442 /nfs/dbraw/zinc/54/44/42/1414544442.db2.gz AIDZQEAMWIPTLD-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[N@H+]2CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H]2C)c1 ZINC001700885930 1414544445 /nfs/dbraw/zinc/54/44/45/1414544445.db2.gz AIDZQEAMWIPTLD-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H]2C)c1 ZINC001700885930 1414544446 /nfs/dbraw/zinc/54/44/46/1414544446.db2.gz AIDZQEAMWIPTLD-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@@H]1[C@H](NC(=O)CCC[NH+]2CCCCC2)CCC[N@H+]1CC1CCC1 ZINC001700890978 1414550449 /nfs/dbraw/zinc/55/04/49/1414550449.db2.gz XZLGVLFJWASBHM-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC001707059233 1417174805 /nfs/dbraw/zinc/17/48/05/1417174805.db2.gz VSDMXVOELZJNLT-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001707059233 1417174806 /nfs/dbraw/zinc/17/48/06/1417174806.db2.gz VSDMXVOELZJNLT-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP C[C@H](C[N@@H+](C)CCC1CCCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001733053838 1429194894 /nfs/dbraw/zinc/19/48/94/1429194894.db2.gz GLIVUPYUYWMCGP-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001713316708 1417942396 /nfs/dbraw/zinc/94/23/96/1417942396.db2.gz XKTRIOYSCYDDQI-INIZCTEOSA-N 2 1 345.531 3.063 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001713355864 1417972787 /nfs/dbraw/zinc/97/27/87/1417972787.db2.gz QXKUTESMIAOXFY-QZTJIDSGSA-N 2 1 348.535 3.127 20 0 EGADMP CCCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001713396717 1418013649 /nfs/dbraw/zinc/01/36/49/1418013649.db2.gz CSHGHNCYWPPKLW-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@@H+](C)CCNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001713455562 1418106974 /nfs/dbraw/zinc/10/69/74/1418106974.db2.gz GFCOJTTXGMWOLZ-KRWDZBQOSA-N 2 1 345.531 3.403 20 0 EGADMP CC[C@H](C(=O)NCC[N@@H+](CC)[C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001713496256 1418205337 /nfs/dbraw/zinc/20/53/37/1418205337.db2.gz OGRHNVDSDCXWJW-RHSMWYFYSA-N 2 1 339.911 3.179 20 0 EGADMP CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001713719805 1418490733 /nfs/dbraw/zinc/49/07/33/1418490733.db2.gz IKOJVFAHZOLNGT-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001713788376 1418605374 /nfs/dbraw/zinc/60/53/74/1418605374.db2.gz FGADGBMGEUKWPH-DFQSSKMNSA-N 2 1 345.531 3.223 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001714021570 1418804896 /nfs/dbraw/zinc/80/48/96/1418804896.db2.gz OTHWZIVJHUCPTR-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001714021570 1418804898 /nfs/dbraw/zinc/80/48/98/1418804898.db2.gz OTHWZIVJHUCPTR-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001714021570 1418804900 /nfs/dbraw/zinc/80/49/00/1418804900.db2.gz OTHWZIVJHUCPTR-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001714045633 1418839749 /nfs/dbraw/zinc/83/97/49/1418839749.db2.gz OECAVWSNUOUOCG-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1C ZINC001714139689 1418941878 /nfs/dbraw/zinc/94/18/78/1418941878.db2.gz JIILQJAABIXBTA-RBUKOAKNSA-N 2 1 345.531 3.369 20 0 EGADMP C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C[NH2+]CC1CCCCC1 ZINC001714453449 1419185617 /nfs/dbraw/zinc/18/56/17/1419185617.db2.gz NCORENJDLMZSMY-FXAWDEMLSA-N 2 1 345.531 3.212 20 0 EGADMP CC[N@@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)[C@@H](C)c1cccc(C)c1 ZINC001714591751 1419339899 /nfs/dbraw/zinc/33/98/99/1419339899.db2.gz DXZXZXGGHWXDNG-SFHVURJKSA-N 2 1 347.547 3.472 20 0 EGADMP CC[NH+](CCNC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)c1cccc(C)c1 ZINC001714591751 1419339902 /nfs/dbraw/zinc/33/99/02/1419339902.db2.gz DXZXZXGGHWXDNG-SFHVURJKSA-N 2 1 347.547 3.472 20 0 EGADMP CC[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)c1cccc(C)c1 ZINC001714591751 1419339905 /nfs/dbraw/zinc/33/99/05/1419339905.db2.gz DXZXZXGGHWXDNG-SFHVURJKSA-N 2 1 347.547 3.472 20 0 EGADMP CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCC1)[NH+]1CCCCC1 ZINC001714607030 1419365184 /nfs/dbraw/zinc/36/51/84/1419365184.db2.gz KSONEVLQFLCGFU-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@H](C)c1ccccc1C ZINC001714618337 1419381785 /nfs/dbraw/zinc/38/17/85/1419381785.db2.gz KQUXLAMSKNSFKU-MOPGFXCFSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)c1ccccc1C ZINC001714618337 1419381790 /nfs/dbraw/zinc/38/17/90/1419381790.db2.gz KQUXLAMSKNSFKU-MOPGFXCFSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)c1ccccc1C ZINC001714618337 1419381794 /nfs/dbraw/zinc/38/17/94/1419381794.db2.gz KQUXLAMSKNSFKU-MOPGFXCFSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@@H](C)c1cccc(F)c1 ZINC001714653674 1419433094 /nfs/dbraw/zinc/43/30/94/1419433094.db2.gz CHMLDRXKUSAEAT-INIZCTEOSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](CCC1CCCC1)C1CC1 ZINC001714675242 1419467461 /nfs/dbraw/zinc/46/74/61/1419467461.db2.gz KHWPEBRXZZQYJH-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](CCC1CCCC1)C1CC1 ZINC001714675242 1419467463 /nfs/dbraw/zinc/46/74/63/1419467463.db2.gz KHWPEBRXZZQYJH-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](CCC1CCCC1)C1CC1 ZINC001714675242 1419467465 /nfs/dbraw/zinc/46/74/65/1419467465.db2.gz KHWPEBRXZZQYJH-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001714863697 1419587940 /nfs/dbraw/zinc/58/79/40/1419587940.db2.gz VERSXDUVTKBPLT-MSOLQXFVSA-N 2 1 337.552 3.076 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1)C1CCCCC1 ZINC001715191320 1419922972 /nfs/dbraw/zinc/92/29/72/1419922972.db2.gz WAZWYVZWGJQITI-IYARVYRRSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@H](c1ccccc1F)[N@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001715533105 1420224857 /nfs/dbraw/zinc/22/48/57/1420224857.db2.gz DHXKVLYJSXGYEA-QGZVFWFLSA-N 2 1 349.494 3.009 20 0 EGADMP C[C@H](c1ccccc1F)[N@@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001715533105 1420224858 /nfs/dbraw/zinc/22/48/58/1420224858.db2.gz DHXKVLYJSXGYEA-QGZVFWFLSA-N 2 1 349.494 3.009 20 0 EGADMP Cc1cc(C)c(C[N@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(C)c1 ZINC001715536113 1420230545 /nfs/dbraw/zinc/23/05/45/1420230545.db2.gz IIXILCNCBYSCFK-HXUWFJFHSA-N 2 1 347.547 3.088 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(C)ccc1C ZINC001716072159 1420528053 /nfs/dbraw/zinc/52/80/53/1420528053.db2.gz CLJHDMGZOFSGCO-UYAOXDASSA-N 2 1 345.531 3.020 20 0 EGADMP Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)cc1C ZINC001716494943 1420718491 /nfs/dbraw/zinc/71/84/91/1420718491.db2.gz CMECYSJPDUISFJ-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1ccc(C[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)cc1C ZINC001716494943 1420718493 /nfs/dbraw/zinc/71/84/93/1420718493.db2.gz CMECYSJPDUISFJ-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1ccc(C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)cc1C ZINC001716494943 1420718494 /nfs/dbraw/zinc/71/84/94/1420718494.db2.gz CMECYSJPDUISFJ-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001716507344 1420738384 /nfs/dbraw/zinc/73/83/84/1420738384.db2.gz CKWKLEAQOYQPAM-ICSRJNTNSA-N 2 1 345.531 3.450 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001716664029 1420818144 /nfs/dbraw/zinc/81/81/44/1420818144.db2.gz JZQLOWJOHUAMED-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001716664029 1420818146 /nfs/dbraw/zinc/81/81/46/1420818146.db2.gz JZQLOWJOHUAMED-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP C[N@@H+](CC(=O)NCC1(C)CC[NH+](CCC2CCCC2)CC1)C1CCC1 ZINC001716885114 1421008631 /nfs/dbraw/zinc/00/86/31/1421008631.db2.gz FLRLHLXVTIXUTB-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001717201103 1421168510 /nfs/dbraw/zinc/16/85/10/1421168510.db2.gz SRSXEEBVXLCEPX-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)cc(C)c2)CC1 ZINC001717201103 1421168511 /nfs/dbraw/zinc/16/85/11/1421168511.db2.gz SRSXEEBVXLCEPX-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2)CC1 ZINC001717201103 1421168512 /nfs/dbraw/zinc/16/85/12/1421168512.db2.gz SRSXEEBVXLCEPX-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C1CCC([NH2+]Cc2ccccc2F)CC1 ZINC001717450063 1421380051 /nfs/dbraw/zinc/38/00/51/1421380051.db2.gz YTCZGUCNVWTGEG-UHFFFAOYSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(CC)cc2)[C@H]1C ZINC001717861627 1421674661 /nfs/dbraw/zinc/67/46/61/1421674661.db2.gz ZANUPWCZLHXAGK-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(CC)cc2)[C@H]1C ZINC001717861627 1421674663 /nfs/dbraw/zinc/67/46/63/1421674663.db2.gz ZANUPWCZLHXAGK-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(CC)cc2)[C@H]1C ZINC001717861627 1421674664 /nfs/dbraw/zinc/67/46/64/1421674664.db2.gz ZANUPWCZLHXAGK-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C[NH2+][C@H](C)c1ccccc1)C(C)(C)C ZINC001717972432 1421744097 /nfs/dbraw/zinc/74/40/97/1421744097.db2.gz GYAVXRABUGMSDA-QAPCUYQASA-N 2 1 342.487 3.073 20 0 EGADMP CC[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1[NH2+]C(C)C ZINC001723377181 1424377652 /nfs/dbraw/zinc/37/76/52/1424377652.db2.gz JFHSHJDAQAVZMD-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1cc(C)c(C[N@@H+]2CC[C@](C)(NC(=O)CCC[NH+](C)C)C2)c(C)c1 ZINC001724172673 1424707179 /nfs/dbraw/zinc/70/71/79/1424707179.db2.gz DRGYVQIHPCVTNU-NRFANRHFSA-N 2 1 345.531 3.034 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@](C)(NC(=O)CC[NH+]3CCCCC3)C2)cs1 ZINC001724188740 1424721837 /nfs/dbraw/zinc/72/18/37/1424721837.db2.gz HWOXPKHYMXRFLS-LJQANCHMSA-N 2 1 349.544 3.013 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCCC3CCCC3)C[C@H]21 ZINC001724657394 1425024950 /nfs/dbraw/zinc/02/49/50/1425024950.db2.gz BWZMSBYIUYUMBV-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21 ZINC001724657394 1425024955 /nfs/dbraw/zinc/02/49/55/1425024955.db2.gz BWZMSBYIUYUMBV-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21 ZINC001724657394 1425024958 /nfs/dbraw/zinc/02/49/58/1425024958.db2.gz BWZMSBYIUYUMBV-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCC1 ZINC001724782902 1425148357 /nfs/dbraw/zinc/14/83/57/1425148357.db2.gz AJOQBYORBFLKCR-SFHVURJKSA-N 2 1 335.536 3.070 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001725030922 1425450418 /nfs/dbraw/zinc/45/04/18/1425450418.db2.gz NXMSSBNPBYHDGJ-DHJFXDNESA-N 2 1 335.536 3.188 20 0 EGADMP Cc1ccccc1C[N@@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001725240294 1425842428 /nfs/dbraw/zinc/84/24/28/1425842428.db2.gz HXVFDLVKAVEXQD-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP C[C@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@H+]1CCCC(C)(C)C ZINC001725618242 1426282018 /nfs/dbraw/zinc/28/20/18/1426282018.db2.gz DZCNELIPEDTEMG-FUHWJXTLSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCC[NH+]1CCCC(C)(C)C ZINC001725618242 1426282021 /nfs/dbraw/zinc/28/20/21/1426282021.db2.gz DZCNELIPEDTEMG-FUHWJXTLSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCC[NH+]1CCCC(C)(C)C ZINC001725618242 1426282025 /nfs/dbraw/zinc/28/20/25/1426282025.db2.gz DZCNELIPEDTEMG-FUHWJXTLSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001731553654 1427577123 /nfs/dbraw/zinc/57/71/23/1427577123.db2.gz IEJIKEOYWMKIOE-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](NC(=O)C[NH+](C)C1CCC1)[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001731553654 1427577133 /nfs/dbraw/zinc/57/71/33/1427577133.db2.gz IEJIKEOYWMKIOE-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001731786339 1427920150 /nfs/dbraw/zinc/92/01/50/1427920150.db2.gz QHNVFWUPMPZHAE-WOJBJXKFSA-N 2 1 345.531 3.449 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001731786339 1427920154 /nfs/dbraw/zinc/92/01/54/1427920154.db2.gz QHNVFWUPMPZHAE-WOJBJXKFSA-N 2 1 345.531 3.449 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001731786339 1427920156 /nfs/dbraw/zinc/92/01/56/1427920156.db2.gz QHNVFWUPMPZHAE-WOJBJXKFSA-N 2 1 345.531 3.449 20 0 EGADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](CC)CCNC(=O)Cc1c[nH]cn1 ZINC001731812832 1427998513 /nfs/dbraw/zinc/99/85/13/1427998513.db2.gz GLCJRPOWWABOMX-KRWDZBQOSA-N 2 1 348.878 3.195 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001731880072 1428149203 /nfs/dbraw/zinc/14/92/03/1428149203.db2.gz ATNNNOXDHYMDDU-FXAWDEMLSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001731880072 1428149205 /nfs/dbraw/zinc/14/92/05/1428149205.db2.gz ATNNNOXDHYMDDU-FXAWDEMLSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001731880072 1428149207 /nfs/dbraw/zinc/14/92/07/1428149207.db2.gz ATNNNOXDHYMDDU-FXAWDEMLSA-N 2 1 343.515 3.060 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001733761736 1429976485 /nfs/dbraw/zinc/97/64/85/1429976485.db2.gz ADYXVKQRPXOYJQ-ICSRJNTNSA-N 2 1 345.531 3.369 20 0 EGADMP CN(CCC[N@@H+](C)[C@H]1CCCc2ccccc21)C(=O)CCC[NH+](C)C ZINC001733775458 1430019059 /nfs/dbraw/zinc/01/90/59/1430019059.db2.gz GEDWWZXHKTXHJQ-FQEVSTJZSA-N 2 1 345.531 3.186 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001733783158 1430052000 /nfs/dbraw/zinc/05/20/00/1430052000.db2.gz WPYQHTZKFCMTLG-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@H](C(=O)NCc1ccc2c(c1)C[N@H+](CC(C)C)C2)[NH+](CC)CC ZINC001733836266 1430108600 /nfs/dbraw/zinc/10/86/00/1430108600.db2.gz SUIWNSNSQARRIF-HXUWFJFHSA-N 2 1 345.531 3.395 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cccc(C)c2)[C@H](C)C1 ZINC001733901187 1437718840 /nfs/dbraw/zinc/71/88/40/1437718840.db2.gz MZGWXNGBXQFLQO-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)[C@H](C)C1 ZINC001733901187 1437718844 /nfs/dbraw/zinc/71/88/44/1437718844.db2.gz MZGWXNGBXQFLQO-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C)c2)[C@H](C)C1 ZINC001733901187 1437718847 /nfs/dbraw/zinc/71/88/47/1437718847.db2.gz MZGWXNGBXQFLQO-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cccc(C)c2)[C@@H](C)C1 ZINC001733901185 1437718910 /nfs/dbraw/zinc/71/89/10/1437718910.db2.gz MZGWXNGBXQFLQO-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C)c2)[C@@H](C)C1 ZINC001733901185 1437718913 /nfs/dbraw/zinc/71/89/13/1437718913.db2.gz MZGWXNGBXQFLQO-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C)c2)[C@@H](C)C1 ZINC001733901185 1437718915 /nfs/dbraw/zinc/71/89/15/1437718915.db2.gz MZGWXNGBXQFLQO-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1CC1CCCCC1 ZINC001733902343 1437720245 /nfs/dbraw/zinc/72/02/45/1437720245.db2.gz RLUIUOAMPXRFEU-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CCCC1CCCC1 ZINC001733902124 1437720251 /nfs/dbraw/zinc/72/02/51/1437720251.db2.gz SYSJEHKMSWAKHD-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccc(C)cc1C ZINC001733938076 1437752766 /nfs/dbraw/zinc/75/27/66/1437752766.db2.gz MXHSEJKUFLAKIQ-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C)cc1C ZINC001733938076 1437752767 /nfs/dbraw/zinc/75/27/67/1437752767.db2.gz MXHSEJKUFLAKIQ-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C)cc1C ZINC001733938076 1437752768 /nfs/dbraw/zinc/75/27/68/1437752768.db2.gz MXHSEJKUFLAKIQ-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001733941702 1437758357 /nfs/dbraw/zinc/75/83/57/1437758357.db2.gz SCNIVFOQKCFHBK-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001733941702 1437758360 /nfs/dbraw/zinc/75/83/60/1437758360.db2.gz SCNIVFOQKCFHBK-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001733941702 1437758361 /nfs/dbraw/zinc/75/83/61/1437758361.db2.gz SCNIVFOQKCFHBK-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC1CCC(C)CC1 ZINC001751974749 1440129856 /nfs/dbraw/zinc/12/98/56/1440129856.db2.gz KAEQTFOKHPPEKL-ACBHZAAOSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CC1CCC(C)CC1 ZINC001751974749 1440129857 /nfs/dbraw/zinc/12/98/57/1440129857.db2.gz KAEQTFOKHPPEKL-ACBHZAAOSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC1CCC(C)CC1 ZINC001751974749 1440129858 /nfs/dbraw/zinc/12/98/58/1440129858.db2.gz KAEQTFOKHPPEKL-ACBHZAAOSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+](C)C1(C(=O)NCCC[N@H+](C)CC2CCC(C)(C)CC2)CCC1 ZINC001751989208 1440131355 /nfs/dbraw/zinc/13/13/55/1440131355.db2.gz IXHANDBZWWXXOA-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)NCCC[N@H+](C)CC1CCCC1 ZINC001752009947 1440132293 /nfs/dbraw/zinc/13/22/93/1440132293.db2.gz ZBCKEGYHICGIOT-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)CC1CCCC1 ZINC001752009947 1440132294 /nfs/dbraw/zinc/13/22/94/1440132294.db2.gz ZBCKEGYHICGIOT-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)CC1CCCC1 ZINC001752009947 1440132296 /nfs/dbraw/zinc/13/22/96/1440132296.db2.gz ZBCKEGYHICGIOT-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)CC1CCCCCC1 ZINC001752209649 1440154696 /nfs/dbraw/zinc/15/46/96/1440154696.db2.gz BRFZRIYCEUFMSC-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001752310259 1440169860 /nfs/dbraw/zinc/16/98/60/1440169860.db2.gz MHIBLRUMDWIAHS-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H](C[N@@H+](C)CCCC2CCC2)C1)C1CCC1 ZINC001752507924 1440189634 /nfs/dbraw/zinc/18/96/34/1440189634.db2.gz ISCYMVXCPOUGKO-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCC1)C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001752507924 1440189635 /nfs/dbraw/zinc/18/96/35/1440189635.db2.gz ISCYMVXCPOUGKO-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCC1)C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001752507924 1440189636 /nfs/dbraw/zinc/18/96/36/1440189636.db2.gz ISCYMVXCPOUGKO-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001752527657 1440193544 /nfs/dbraw/zinc/19/35/44/1440193544.db2.gz LVIGHMQNHHYCQR-OALUTQOASA-N 2 1 345.531 3.260 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001752527657 1440193545 /nfs/dbraw/zinc/19/35/45/1440193545.db2.gz LVIGHMQNHHYCQR-OALUTQOASA-N 2 1 345.531 3.260 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](C[N@@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001752527657 1440193546 /nfs/dbraw/zinc/19/35/46/1440193546.db2.gz LVIGHMQNHHYCQR-OALUTQOASA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001752654855 1440198251 /nfs/dbraw/zinc/19/82/51/1440198251.db2.gz DYDJXLUMLRSFOF-MTNOOBJLSA-N 2 1 335.536 3.066 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001752787221 1440211798 /nfs/dbraw/zinc/21/17/98/1440211798.db2.gz IZSVWJHDPKMJNJ-MOPGFXCFSA-N 2 1 337.552 3.269 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC001752819166 1440219329 /nfs/dbraw/zinc/21/93/29/1440219329.db2.gz PZUBRDSITHMPIQ-IRXDYDNUSA-N 2 1 334.508 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC001752819166 1440219330 /nfs/dbraw/zinc/21/93/30/1440219330.db2.gz PZUBRDSITHMPIQ-IRXDYDNUSA-N 2 1 334.508 3.023 20 0 EGADMP CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001752818850 1440219374 /nfs/dbraw/zinc/21/93/74/1440219374.db2.gz KDSGUZZTMACPDG-GOSISDBHSA-N 2 1 337.552 3.412 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001752822346 1440221168 /nfs/dbraw/zinc/22/11/68/1440221168.db2.gz FJYNCUFZSPHJOH-RRFGBZISSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001752877001 1440238275 /nfs/dbraw/zinc/23/82/75/1440238275.db2.gz KVSRCNNLEFMFPL-WMZOPIPTSA-N 2 1 337.552 3.172 20 0 EGADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1C1CC1 ZINC001752899636 1440242574 /nfs/dbraw/zinc/24/25/74/1440242574.db2.gz DGRMRLRWABPVMM-MRXNPFEDSA-N 2 1 345.531 3.136 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H](C[NH2+]CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001752948848 1440251856 /nfs/dbraw/zinc/25/18/56/1440251856.db2.gz GGNLIKIPCATSBK-SXLOBPIMSA-N 2 1 347.547 3.045 20 0 EGADMP CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001752949484 1440251942 /nfs/dbraw/zinc/25/19/42/1440251942.db2.gz LXHZBLLKMVVMLY-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001752991757 1440259777 /nfs/dbraw/zinc/25/97/77/1440259777.db2.gz XSLBHCMZZFFIQF-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001752991757 1440259778 /nfs/dbraw/zinc/25/97/78/1440259778.db2.gz XSLBHCMZZFFIQF-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001752991757 1440259779 /nfs/dbraw/zinc/25/97/79/1440259779.db2.gz XSLBHCMZZFFIQF-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC1CC1 ZINC001753035754 1440274647 /nfs/dbraw/zinc/27/46/47/1440274647.db2.gz JVQUHJLPVTZZPD-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CCC1CC1 ZINC001753035754 1440274648 /nfs/dbraw/zinc/27/46/48/1440274648.db2.gz JVQUHJLPVTZZPD-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CCC1CC1 ZINC001753035754 1440274649 /nfs/dbraw/zinc/27/46/49/1440274649.db2.gz JVQUHJLPVTZZPD-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1ccc(C[N@@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)cc1C ZINC001753050391 1440279315 /nfs/dbraw/zinc/27/93/15/1440279315.db2.gz XZRSLJCDFOYQOE-UHFFFAOYSA-N 2 1 345.531 3.116 20 0 EGADMP C[N@@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CC1CCCCCC1 ZINC001753052895 1440280139 /nfs/dbraw/zinc/28/01/39/1440280139.db2.gz JEYMBQSGTWBGGA-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)CC1CCCCCC1 ZINC001753052895 1440280140 /nfs/dbraw/zinc/28/01/40/1440280140.db2.gz JEYMBQSGTWBGGA-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)CC1CCCCCC1 ZINC001753052895 1440280141 /nfs/dbraw/zinc/28/01/41/1440280141.db2.gz JEYMBQSGTWBGGA-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001753055225 1440281134 /nfs/dbraw/zinc/28/11/34/1440281134.db2.gz LTBLDZBWSPABFW-VQTJNVASSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001753055225 1440281135 /nfs/dbraw/zinc/28/11/35/1440281135.db2.gz LTBLDZBWSPABFW-VQTJNVASSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001753055225 1440281136 /nfs/dbraw/zinc/28/11/36/1440281136.db2.gz LTBLDZBWSPABFW-VQTJNVASSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CCC1CCCCC1 ZINC001753085303 1440295850 /nfs/dbraw/zinc/29/58/50/1440295850.db2.gz VOTTVYGPJQXLAJ-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)CCC1CCCCC1 ZINC001753085303 1440295851 /nfs/dbraw/zinc/29/58/51/1440295851.db2.gz VOTTVYGPJQXLAJ-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)CCC1CCCCC1 ZINC001753085303 1440295852 /nfs/dbraw/zinc/29/58/52/1440295852.db2.gz VOTTVYGPJQXLAJ-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](CCNC(=O)c1ccc(C[NH+](C)C)cc1)CC1CCCCC1 ZINC001753091615 1440299568 /nfs/dbraw/zinc/29/95/68/1440299568.db2.gz CGGGEMXDYNNFQN-UHFFFAOYSA-N 2 1 345.531 3.380 20 0 EGADMP CC(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001753120837 1440313612 /nfs/dbraw/zinc/31/36/12/1440313612.db2.gz ZUTRPAFUESBEOY-UXHICEINSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001753120837 1440313613 /nfs/dbraw/zinc/31/36/13/1440313613.db2.gz ZUTRPAFUESBEOY-UXHICEINSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001753136352 1440319068 /nfs/dbraw/zinc/31/90/68/1440319068.db2.gz UIIQCILDLAYVJF-VQTJNVASSA-N 2 1 345.531 3.054 20 0 EGADMP CN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001753216918 1440339754 /nfs/dbraw/zinc/33/97/54/1440339754.db2.gz NLEKPBSDUKMUFI-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001753318170 1440361036 /nfs/dbraw/zinc/36/10/36/1440361036.db2.gz DPTHMWRNMOEOLC-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CC(CC)CC)C1 ZINC001753318170 1440361037 /nfs/dbraw/zinc/36/10/37/1440361037.db2.gz DPTHMWRNMOEOLC-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CC(CC)CC)C1 ZINC001753318170 1440361038 /nfs/dbraw/zinc/36/10/38/1440361038.db2.gz DPTHMWRNMOEOLC-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001753322878 1440364545 /nfs/dbraw/zinc/36/45/45/1440364545.db2.gz KNDLECUKVLDIDH-LJQANCHMSA-N 2 1 331.504 3.083 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001753445414 1440403560 /nfs/dbraw/zinc/40/35/60/1440403560.db2.gz LLUBHARBADTFQZ-MOPGFXCFSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001753445414 1440403561 /nfs/dbraw/zinc/40/35/61/1440403561.db2.gz LLUBHARBADTFQZ-MOPGFXCFSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001753445414 1440403562 /nfs/dbraw/zinc/40/35/62/1440403562.db2.gz LLUBHARBADTFQZ-MOPGFXCFSA-N 2 1 337.552 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001753457474 1440408938 /nfs/dbraw/zinc/40/89/38/1440408938.db2.gz RBEUNOLZIWFOJU-FGTMMUONSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001753457474 1440408939 /nfs/dbraw/zinc/40/89/39/1440408939.db2.gz RBEUNOLZIWFOJU-FGTMMUONSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001753457474 1440408940 /nfs/dbraw/zinc/40/89/40/1440408940.db2.gz RBEUNOLZIWFOJU-FGTMMUONSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001753462688 1440411796 /nfs/dbraw/zinc/41/17/96/1440411796.db2.gz ZEENKVUAJJNEOU-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CCC1CCCCCC1 ZINC001753473688 1440414737 /nfs/dbraw/zinc/41/47/37/1440414737.db2.gz MAYLKVOKFFYBOJ-BHIYHBOVSA-N 2 1 337.552 3.172 20 0 EGADMP CC/C=C\CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC001753506902 1440424783 /nfs/dbraw/zinc/42/47/83/1440424783.db2.gz GLEYLVUKNGHIBS-SLXDBMQSSA-N 2 1 335.536 3.092 20 0 EGADMP CC(C)CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001753570536 1440438331 /nfs/dbraw/zinc/43/83/31/1440438331.db2.gz GZGHKXUZWVVGKA-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001753586823 1440441497 /nfs/dbraw/zinc/44/14/97/1440441497.db2.gz CXRQRUOLFOSQFD-CXLTZZKYSA-N 2 1 335.536 3.092 20 0 EGADMP CC(C)=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001753598520 1440445547 /nfs/dbraw/zinc/44/55/47/1440445547.db2.gz KNJXMAIQEBZVHM-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)C(C)C)c1 ZINC001753645423 1440455693 /nfs/dbraw/zinc/45/56/93/1440455693.db2.gz ZEYMRKHDKBPIPO-FUHWJXTLSA-N 2 1 333.520 3.047 20 0 EGADMP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001753749759 1440482174 /nfs/dbraw/zinc/48/21/74/1440482174.db2.gz PYAJZCIHVIMWJE-OALUTQOASA-N 2 1 337.552 3.029 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CC[NH2+]CC2=CCCCC2)C1 ZINC001753798258 1440490229 /nfs/dbraw/zinc/49/02/29/1440490229.db2.gz WJYAJVXIOWDEGO-AZUAARDMSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001753814966 1440493526 /nfs/dbraw/zinc/49/35/26/1440493526.db2.gz HWDFPKLRQDGPOW-MSOLQXFVSA-N 2 1 339.568 3.227 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]([NH2+]CC1CCC(C)(C)CC1)C(C)C ZINC001753833566 1440500305 /nfs/dbraw/zinc/50/03/05/1440500305.db2.gz DPLHBUIHDPESPW-GOSISDBHSA-N 2 1 348.535 3.138 20 0 EGADMP CC[C@@H]([NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)C(C)C)c1ccccc1 ZINC001753834469 1440500634 /nfs/dbraw/zinc/50/06/34/1440500634.db2.gz KUPYHBMPXQSDOB-MOPGFXCFSA-N 2 1 342.487 3.073 20 0 EGADMP CN(CC[N@@H+](C)CCCC1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001753855859 1440508797 /nfs/dbraw/zinc/50/87/97/1440508797.db2.gz MDHGJXKCSBEHEM-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CC[NH+](C)CCCC1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001753855859 1440508798 /nfs/dbraw/zinc/50/87/98/1440508798.db2.gz MDHGJXKCSBEHEM-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CC[NH+](C)CCCC1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001753855859 1440508799 /nfs/dbraw/zinc/50/87/99/1440508799.db2.gz MDHGJXKCSBEHEM-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001754045549 1440535006 /nfs/dbraw/zinc/53/50/06/1440535006.db2.gz SPZJFBWCRADLHF-PKOBYXMFSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC001754102951 1440541399 /nfs/dbraw/zinc/54/13/99/1440541399.db2.gz GXQORXOBGBYYBK-VMLVWOMUSA-N 2 1 349.906 3.147 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1c(C)cc(C)cc1C ZINC001754228521 1440553620 /nfs/dbraw/zinc/55/36/20/1440553620.db2.gz LGKWQOQAJFDCBS-QUCCMNQESA-N 2 1 345.531 3.081 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C2CC2)c1 ZINC001754443452 1440599589 /nfs/dbraw/zinc/59/95/89/1440599589.db2.gz XYEFGQVIVLAZHC-UZLBHIALSA-N 2 1 343.515 3.025 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001754504059 1440615504 /nfs/dbraw/zinc/61/55/04/1440615504.db2.gz CMKNPGOLRJKJLA-WYNBNGFRSA-N 2 1 335.536 3.044 20 0 EGADMP CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001754540786 1440626183 /nfs/dbraw/zinc/62/61/83/1440626183.db2.gz GEEKBRLDRRAVJM-UMQXSMKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)C1CCCCCC1 ZINC001754545533 1440627425 /nfs/dbraw/zinc/62/74/25/1440627425.db2.gz NQTHMFXHPRGNGY-UHFFFAOYSA-N 2 1 337.552 3.412 20 0 EGADMP CC[C@H](C)C[N@@H+](CC1CC1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001754548045 1440628536 /nfs/dbraw/zinc/62/85/36/1440628536.db2.gz BGCFVOABIHWCRW-KRWDZBQOSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001754611727 1440643823 /nfs/dbraw/zinc/64/38/23/1440643823.db2.gz PYDNVXWDDDNEMM-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001754680113 1440661750 /nfs/dbraw/zinc/66/17/50/1440661750.db2.gz HDNBGUCQVWSFSR-QFBILLFUSA-N 2 1 349.544 3.093 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CC3=CCCCC3)C2)CC[N@H+]1C ZINC001754703715 1440668481 /nfs/dbraw/zinc/66/84/81/1440668481.db2.gz TTYBIPAONVSLST-CUWPLCDZSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCCC[N@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001754730214 1440678600 /nfs/dbraw/zinc/67/86/00/1440678600.db2.gz VMFDMMPOIDHKMJ-HXUWFJFHSA-N 2 1 337.552 3.127 20 0 EGADMP CC/C=C/CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001754803000 1440690660 /nfs/dbraw/zinc/69/06/60/1440690660.db2.gz JBFOGXRIUWJDMP-IKSUFZCESA-N 2 1 346.519 3.189 20 0 EGADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001754831409 1440695308 /nfs/dbraw/zinc/69/53/08/1440695308.db2.gz APKZHRRCOYACKI-FNLKRUPLSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001754831409 1440695309 /nfs/dbraw/zinc/69/53/09/1440695309.db2.gz APKZHRRCOYACKI-FNLKRUPLSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001754831409 1440695310 /nfs/dbraw/zinc/69/53/10/1440695310.db2.gz APKZHRRCOYACKI-FNLKRUPLSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001754866970 1440703106 /nfs/dbraw/zinc/70/31/06/1440703106.db2.gz GEHMCILZXIJKJK-OALUTQOASA-N 2 1 349.563 3.362 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001754868251 1440703839 /nfs/dbraw/zinc/70/38/39/1440703839.db2.gz OBMZDWRWKSTJCT-IPMKNSEASA-N 2 1 337.552 3.218 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC1CCCC1 ZINC001754869857 1440704729 /nfs/dbraw/zinc/70/47/29/1440704729.db2.gz QTCJWQWZQJCXII-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC1CCCC1 ZINC001754869857 1440704730 /nfs/dbraw/zinc/70/47/30/1440704730.db2.gz QTCJWQWZQJCXII-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCC1CCCC1 ZINC001754869857 1440704731 /nfs/dbraw/zinc/70/47/31/1440704731.db2.gz QTCJWQWZQJCXII-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1)[NH+](CC)CC ZINC001755029921 1440730724 /nfs/dbraw/zinc/73/07/24/1440730724.db2.gz SPUGJFPIXOHSSW-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001755034642 1440733480 /nfs/dbraw/zinc/73/34/80/1440733480.db2.gz VQBAWOBIAVKNTR-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001755043618 1440739078 /nfs/dbraw/zinc/73/90/78/1440739078.db2.gz AKNOZBOHBUCCBZ-DLBZAZTESA-N 2 1 349.494 3.009 20 0 EGADMP C[C@@H](c1cccc(F)c1)[NH+](C)CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001755043618 1440739079 /nfs/dbraw/zinc/73/90/79/1440739079.db2.gz AKNOZBOHBUCCBZ-DLBZAZTESA-N 2 1 349.494 3.009 20 0 EGADMP C[C@@H](c1cccc(F)c1)[NH+](C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001755043618 1440739080 /nfs/dbraw/zinc/73/90/80/1440739080.db2.gz AKNOZBOHBUCCBZ-DLBZAZTESA-N 2 1 349.494 3.009 20 0 EGADMP CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001755068631 1440745802 /nfs/dbraw/zinc/74/58/02/1440745802.db2.gz ANPIGHMGOKAPBS-KRWDZBQOSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001755079448 1440750607 /nfs/dbraw/zinc/75/06/07/1440750607.db2.gz KKCVSOJPLGCDHC-ZJOUEHCJSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001755079448 1440750608 /nfs/dbraw/zinc/75/06/08/1440750608.db2.gz KKCVSOJPLGCDHC-ZJOUEHCJSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001755079448 1440750609 /nfs/dbraw/zinc/75/06/09/1440750609.db2.gz KKCVSOJPLGCDHC-ZJOUEHCJSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]CCCC(C)(C)C)CC2)C1 ZINC001755135565 1440758046 /nfs/dbraw/zinc/75/80/46/1440758046.db2.gz VADQWCIWGGVLKW-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001755144206 1440762576 /nfs/dbraw/zinc/76/25/76/1440762576.db2.gz YHSODENCIKQYMN-OALUTQOASA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001755144206 1440762577 /nfs/dbraw/zinc/76/25/77/1440762577.db2.gz YHSODENCIKQYMN-OALUTQOASA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001755162968 1440765400 /nfs/dbraw/zinc/76/54/00/1440765400.db2.gz BOYJRNXEROJVJB-MJGOQNOKSA-N 2 1 345.531 3.231 20 0 EGADMP C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@H+]1CC1CCCC1 ZINC001755165854 1440767157 /nfs/dbraw/zinc/76/71/57/1440767157.db2.gz SYNORJJIXNDMGN-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001755185162 1440772864 /nfs/dbraw/zinc/77/28/64/1440772864.db2.gz POIOYPBQWLWVRY-XUVXKRRUSA-N 2 1 343.515 3.203 20 0 EGADMP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001755193613 1440775738 /nfs/dbraw/zinc/77/57/38/1440775738.db2.gz CLBZONZAIXVUHT-ZMBJWTFHSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001755194185 1440776120 /nfs/dbraw/zinc/77/61/20/1440776120.db2.gz OUOLCICCMOBJCK-SFHVURJKSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001755194185 1440776121 /nfs/dbraw/zinc/77/61/21/1440776121.db2.gz OUOLCICCMOBJCK-SFHVURJKSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001755194185 1440776122 /nfs/dbraw/zinc/77/61/22/1440776122.db2.gz OUOLCICCMOBJCK-SFHVURJKSA-N 2 1 337.552 3.218 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC2CC(C[NH2+]CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001755215784 1440783942 /nfs/dbraw/zinc/78/39/42/1440783942.db2.gz BJPUEVKBLVHTDO-VHBXLISGSA-N 2 1 347.547 3.092 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)CCC1=CCCCC1 ZINC001755314046 1440814877 /nfs/dbraw/zinc/81/48/77/1440814877.db2.gz RGAFHFNRXFITCA-SCTDSRPQSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)CCC1=CCCCC1 ZINC001755314046 1440814878 /nfs/dbraw/zinc/81/48/78/1440814878.db2.gz RGAFHFNRXFITCA-SCTDSRPQSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)CCC1=CCCCC1 ZINC001755314046 1440814879 /nfs/dbraw/zinc/81/48/79/1440814879.db2.gz RGAFHFNRXFITCA-SCTDSRPQSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001755318947 1440817135 /nfs/dbraw/zinc/81/71/35/1440817135.db2.gz DUTDSLPHURKMKK-KRWDZBQOSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1F ZINC001755328043 1440822929 /nfs/dbraw/zinc/82/29/29/1440822929.db2.gz NLYHMTCWJUAGPN-KRWDZBQOSA-N 2 1 349.494 3.028 20 0 EGADMP C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1F ZINC001755328043 1440822930 /nfs/dbraw/zinc/82/29/30/1440822930.db2.gz NLYHMTCWJUAGPN-KRWDZBQOSA-N 2 1 349.494 3.028 20 0 EGADMP C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@H+](C)CC1CCCCC1 ZINC001755329340 1440823664 /nfs/dbraw/zinc/82/36/64/1440823664.db2.gz YPJLAPUFJDHSHU-YLJYHZDGSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@@H+](C)CC1CCCCC1 ZINC001755329340 1440823665 /nfs/dbraw/zinc/82/36/65/1440823665.db2.gz YPJLAPUFJDHSHU-YLJYHZDGSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[C@@H]([NH2+]CC=C(C)C)C(C)C)CC[N@H+]1C ZINC001755339672 1440824630 /nfs/dbraw/zinc/82/46/30/1440824630.db2.gz LSRACRBBLQKESX-IPMKNSEASA-N 2 1 337.552 3.146 20 0 EGADMP CC(C)[C@@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH2+]CC1CC1 ZINC001755339444 1440824741 /nfs/dbraw/zinc/82/47/41/1440824741.db2.gz JQPLRWXCMNVUCL-WOJBJXKFSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001755366051 1440834512 /nfs/dbraw/zinc/83/45/12/1440834512.db2.gz JJPGZNKYJPPOGE-RBUKOAKNSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001755366051 1440834513 /nfs/dbraw/zinc/83/45/13/1440834513.db2.gz JJPGZNKYJPPOGE-RBUKOAKNSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001755366051 1440834514 /nfs/dbraw/zinc/83/45/14/1440834514.db2.gz JJPGZNKYJPPOGE-RBUKOAKNSA-N 2 1 337.552 3.412 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCCCC[N@H+]2CCC(C)(C)C)CC1 ZINC001755367832 1440835697 /nfs/dbraw/zinc/83/56/97/1440835697.db2.gz JARHCZDTVMHIES-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CCC2CCCCCC2)C1 ZINC001755389391 1440841640 /nfs/dbraw/zinc/84/16/40/1440841640.db2.gz VSQYVYCHNGDDJI-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001755414971 1440848049 /nfs/dbraw/zinc/84/80/49/1440848049.db2.gz CNZDQYBRKXCXHT-SFFCAUCYSA-N 2 1 349.563 3.435 20 0 EGADMP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001755477547 1440859587 /nfs/dbraw/zinc/85/95/87/1440859587.db2.gz XDCPUJIZFCBYGX-LNLFQRSKSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001755513725 1440863873 /nfs/dbraw/zinc/86/38/73/1440863873.db2.gz UCVCGEVXGOMJJB-MJGOQNOKSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001755513724 1440863911 /nfs/dbraw/zinc/86/39/11/1440863911.db2.gz UCVCGEVXGOMJJB-IEBWSBKVSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[NH2+]CC1=CCCCC1 ZINC001755549067 1440871551 /nfs/dbraw/zinc/87/15/51/1440871551.db2.gz DSIARPMWACXYQT-UXHICEINSA-N 2 1 349.563 3.480 20 0 EGADMP CC(C)c1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001755603803 1440884900 /nfs/dbraw/zinc/88/49/00/1440884900.db2.gz ISGNWKJGZTYNME-ROUUACIJSA-N 2 1 345.531 3.088 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1(C)C ZINC001755765767 1440916223 /nfs/dbraw/zinc/91/62/23/1440916223.db2.gz WRBGYQOLUUXEFB-KSGIUMMHSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)=CC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001755817066 1440924031 /nfs/dbraw/zinc/92/40/31/1440924031.db2.gz BKQUDKDFFBZVHL-RTBURBONSA-N 2 1 337.552 3.242 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001755831271 1440928748 /nfs/dbraw/zinc/92/87/48/1440928748.db2.gz WKEZZOFYUANHCB-CWDJHMJFSA-N 2 1 337.552 3.338 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C1CC[NH+](CCC(C)C)CC1 ZINC001755846278 1440933401 /nfs/dbraw/zinc/93/34/01/1440933401.db2.gz SUHZPVWKTMCVEF-QGZVFWFLSA-N 2 1 348.535 3.235 20 0 EGADMP C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001755845966 1440933435 /nfs/dbraw/zinc/93/34/35/1440933435.db2.gz GPUIKHNYTISFQP-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001755850595 1440934798 /nfs/dbraw/zinc/93/47/98/1440934798.db2.gz JBFPGMLIWXYCSQ-ROUUACIJSA-N 2 1 339.568 3.226 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NC2(C3CC[NH+](CCC(C)(C)C)CC3)CC2)C1 ZINC001755869380 1440938660 /nfs/dbraw/zinc/93/86/60/1440938660.db2.gz DQYOMHXHAGTUQE-QGZVFWFLSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC1(C2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001755869528 1440938779 /nfs/dbraw/zinc/93/87/79/1440938779.db2.gz JBNYSSGCQXSGLZ-UHFFFAOYSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001755886977 1440940478 /nfs/dbraw/zinc/94/04/78/1440940478.db2.gz BJKVYLKHTIQISS-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)NCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001755886977 1440940479 /nfs/dbraw/zinc/94/04/79/1440940479.db2.gz BJKVYLKHTIQISS-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)NCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001755886977 1440940480 /nfs/dbraw/zinc/94/04/80/1440940480.db2.gz BJKVYLKHTIQISS-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP c1cc2c(cc[nH+]c2N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)[nH]1 ZINC001164955831 722013280 /nfs/dbraw/zinc/01/32/80/722013280.db2.gz ZYPFHBSQKFUPQL-UHFFFAOYSA-N 2 1 347.466 3.450 20 0 EGADMP Nc1cc[nH+]c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995140 722191188 /nfs/dbraw/zinc/19/11/88/722191188.db2.gz RXYQOCIIACAPTL-LJQANCHMSA-N 2 1 326.419 3.048 20 0 EGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000368131456 168314311 /nfs/dbraw/zinc/31/43/11/168314311.db2.gz AGNFZDFMUVELMJ-MRXNPFEDSA-N 2 1 328.460 3.142 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCc1ccccc1Cl ZINC000368182002 168321959 /nfs/dbraw/zinc/32/19/59/168321959.db2.gz SUOLTVJTXTXRBA-NZSAHSFTSA-N 2 1 336.907 3.456 20 0 EGADMP Fc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OCC(F)(F)F ZINC000368316023 168341518 /nfs/dbraw/zinc/34/15/18/168341518.db2.gz DTZRLBYXSOURPJ-KBPBESRZSA-N 2 1 346.368 3.483 20 0 EGADMP Fc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OCC(F)(F)F ZINC000368316023 168341522 /nfs/dbraw/zinc/34/15/22/168341522.db2.gz DTZRLBYXSOURPJ-KBPBESRZSA-N 2 1 346.368 3.483 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000368531043 168368572 /nfs/dbraw/zinc/36/85/72/168368572.db2.gz SDYKAFBJIQXQGT-SESVDKBCSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000368531043 168368575 /nfs/dbraw/zinc/36/85/75/168368575.db2.gz SDYKAFBJIQXQGT-SESVDKBCSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000368531043 168368577 /nfs/dbraw/zinc/36/85/77/168368577.db2.gz SDYKAFBJIQXQGT-SESVDKBCSA-N 3 1 329.532 3.219 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093088846 282241504 /nfs/dbraw/zinc/24/15/04/282241504.db2.gz PWKPFBAJTLPOOS-UHFFFAOYSA-N 2 1 326.488 3.263 20 0 EGADMP C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181630332 234259397 /nfs/dbraw/zinc/25/93/97/234259397.db2.gz JYHBWHPRFPVYEP-QFBILLFUSA-N 2 1 343.515 3.131 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358504898 283188327 /nfs/dbraw/zinc/18/83/27/283188327.db2.gz JPYBTNPMUQLNAX-UHFFFAOYSA-N 2 1 343.515 3.134 20 0 EGADMP C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272880090 201253063 /nfs/dbraw/zinc/25/30/63/201253063.db2.gz XQZZYPRNQXOZEP-AEFFLSMTSA-N 2 1 332.488 3.218 20 0 EGADMP C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000277289078 201302282 /nfs/dbraw/zinc/30/22/82/201302282.db2.gz UAKSAESFQYQHQQ-INIZCTEOSA-N 2 1 347.503 3.154 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000193206988 240059278 /nfs/dbraw/zinc/05/92/78/240059278.db2.gz AIVSQZHIPDOOQZ-INIZCTEOSA-N 2 1 336.888 3.258 20 0 EGADMP Brc1ccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000246084614 243189812 /nfs/dbraw/zinc/18/98/12/243189812.db2.gz ZCOUMQSWDNKCGA-GJZGRUSLSA-N 2 1 339.277 3.044 20 0 EGADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000361519037 296122891 /nfs/dbraw/zinc/12/28/91/296122891.db2.gz MHGIXIUMCDXRLW-SFHVURJKSA-N 2 1 347.547 3.118 20 0 EGADMP CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)CC1CC[NH2+]CC1 ZINC000237008339 204280526 /nfs/dbraw/zinc/28/05/26/204280526.db2.gz HXDBDBKXEKGEOV-UHFFFAOYSA-N 2 1 344.286 3.253 20 0 EGADMP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000125801616 205027024 /nfs/dbraw/zinc/02/70/24/205027024.db2.gz HWYSBOXSHRURGO-ZWKOTPCHSA-N 2 1 334.504 3.483 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000125844319 205028367 /nfs/dbraw/zinc/02/83/67/205028367.db2.gz HRMJPOQQLSFYDC-DLBZAZTESA-N 2 1 345.487 3.414 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC000129307574 205189100 /nfs/dbraw/zinc/18/91/00/205189100.db2.gz CQZZZXPUFJNFQO-UKRRQHHQSA-N 2 1 330.394 3.448 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC000129307574 205189102 /nfs/dbraw/zinc/18/91/02/205189102.db2.gz CQZZZXPUFJNFQO-UKRRQHHQSA-N 2 1 330.394 3.448 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000130366288 205236113 /nfs/dbraw/zinc/23/61/13/205236113.db2.gz USWPMROXXCTBSB-INIZCTEOSA-N 2 1 328.460 3.157 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000130366288 205236116 /nfs/dbraw/zinc/23/61/16/205236116.db2.gz USWPMROXXCTBSB-INIZCTEOSA-N 2 1 328.460 3.157 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000131280205 205279932 /nfs/dbraw/zinc/27/99/32/205279932.db2.gz AQKFJTUFFIBHMR-WVATUKLVSA-N 2 1 331.287 3.345 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCc3nc(-c4ccccc4)no3)CC[C@@H]21 ZINC000158853945 206213635 /nfs/dbraw/zinc/21/36/35/206213635.db2.gz OKIJDDKJXPFNTK-MSOLQXFVSA-N 2 1 340.471 3.085 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCc3nc(-c4ccccc4)no3)CC[C@@H]21 ZINC000158853945 206213638 /nfs/dbraw/zinc/21/36/38/206213638.db2.gz OKIJDDKJXPFNTK-MSOLQXFVSA-N 2 1 340.471 3.085 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCc3nc(-c4ccccc4)no3)CC[C@@H]21 ZINC000158853945 206213644 /nfs/dbraw/zinc/21/36/44/206213644.db2.gz OKIJDDKJXPFNTK-MSOLQXFVSA-N 2 1 340.471 3.085 20 0 EGADMP CC[C@H]1Oc2cc([C@H](C)[NH2+]CCC[NH+]3CCCCC3)ccc2NC1=O ZINC000162400665 206399192 /nfs/dbraw/zinc/39/91/92/206399192.db2.gz NCWJAANLZHIZAF-MAUKXSAKSA-N 2 1 345.487 3.323 20 0 EGADMP C[C@H](CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C[NH+]1CCCC1 ZINC000165269236 206513921 /nfs/dbraw/zinc/51/39/21/206513921.db2.gz XKQLXKXNSWSTQM-MSOLQXFVSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@H](O)c1ncc(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)s1 ZINC000377540473 169038800 /nfs/dbraw/zinc/03/88/00/169038800.db2.gz JRCCXTLKKXAGBJ-PMPSAXMXSA-N 2 1 337.533 3.283 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCCOC[C@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000268716843 252166688 /nfs/dbraw/zinc/16/66/88/252166688.db2.gz GVIREWVICGHXHK-HLAWJBBLSA-N 2 1 346.515 3.215 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCCOC[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000268716843 252166692 /nfs/dbraw/zinc/16/66/92/252166692.db2.gz GVIREWVICGHXHK-HLAWJBBLSA-N 2 1 346.515 3.215 20 0 EGADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000118868662 221198752 /nfs/dbraw/zinc/19/87/52/221198752.db2.gz KKGMXEZZERPDOO-UHFFFAOYSA-N 2 1 341.858 3.081 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000237522838 141005960 /nfs/dbraw/zinc/00/59/60/141005960.db2.gz QSLCOIMLZAKHAS-JTDSTZFVSA-N 2 1 345.531 3.154 20 0 EGADMP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000246907191 141043455 /nfs/dbraw/zinc/04/34/55/141043455.db2.gz GDBNUUKTIYPFCG-RCLSDMTESA-N 2 1 344.547 3.002 20 0 EGADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000246907191 141043457 /nfs/dbraw/zinc/04/34/57/141043457.db2.gz GDBNUUKTIYPFCG-RCLSDMTESA-N 2 1 344.547 3.002 20 0 EGADMP C[C@H](CN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000246907191 141043459 /nfs/dbraw/zinc/04/34/59/141043459.db2.gz GDBNUUKTIYPFCG-RCLSDMTESA-N 2 1 344.547 3.002 20 0 EGADMP C[C@H](CN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000246907191 141043462 /nfs/dbraw/zinc/04/34/62/141043462.db2.gz GDBNUUKTIYPFCG-RCLSDMTESA-N 2 1 344.547 3.002 20 0 EGADMP CC[N@@H+]1CCC[C@@H](CN(C)c2cc[nH+]cc2Cl)[C@H]1c1cnn(C)c1 ZINC000337871362 141069735 /nfs/dbraw/zinc/06/97/35/141069735.db2.gz NWFVPIZIPMKJNE-KSSFIOAISA-N 2 1 347.894 3.378 20 0 EGADMP CC[N@H+]1CCC[C@@H](CN(C)c2cc[nH+]cc2Cl)[C@H]1c1cnn(C)c1 ZINC000337871362 141069737 /nfs/dbraw/zinc/06/97/37/141069737.db2.gz NWFVPIZIPMKJNE-KSSFIOAISA-N 2 1 347.894 3.378 20 0 EGADMP Cc1cnc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1C ZINC000341258538 141145954 /nfs/dbraw/zinc/14/59/54/141145954.db2.gz LQHHFPJKBCYBNC-QFBILLFUSA-N 2 1 326.488 3.119 20 0 EGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000346189765 141176473 /nfs/dbraw/zinc/17/64/73/141176473.db2.gz ZHNNIHLDYZRXEW-HNNXBMFYSA-N 2 1 339.468 3.412 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c(OC(C)C)c1 ZINC000262013227 292106140 /nfs/dbraw/zinc/10/61/40/292106140.db2.gz VTRARSPSVVWQFV-IPMKNSEASA-N 2 1 332.488 3.029 20 0 EGADMP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173615721 144045006 /nfs/dbraw/zinc/04/50/06/144045006.db2.gz SYJLQYJYTAGLSP-DLBZAZTESA-N 2 1 331.504 3.023 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CC[N@H+]1C ZINC000344686482 144210130 /nfs/dbraw/zinc/21/01/30/144210130.db2.gz SEIKGKXKKLBJPU-QFBILLFUSA-N 2 1 325.456 3.233 20 0 EGADMP CN(C[C@@H](O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CC1 ZINC000351381460 144262939 /nfs/dbraw/zinc/26/29/39/144262939.db2.gz GDMMOYBQNGKRJZ-QGZVFWFLSA-N 2 1 342.405 3.125 20 0 EGADMP CN(C[C@@H](O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CC1 ZINC000351381460 144262940 /nfs/dbraw/zinc/26/29/40/144262940.db2.gz GDMMOYBQNGKRJZ-QGZVFWFLSA-N 2 1 342.405 3.125 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351498455 144269851 /nfs/dbraw/zinc/26/98/51/144269851.db2.gz VTUAFVZKPSIRDG-LQJIQPLVSA-N 2 1 349.478 3.350 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351498455 144269853 /nfs/dbraw/zinc/26/98/53/144269853.db2.gz VTUAFVZKPSIRDG-LQJIQPLVSA-N 2 1 349.478 3.350 20 0 EGADMP C[C@H](Cc1ccncc1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000341344848 155244564 /nfs/dbraw/zinc/24/45/64/155244564.db2.gz BRXWWDGPGREODN-QGZVFWFLSA-N 2 1 341.474 3.448 20 0 EGADMP CCC(CC)[C@@H](CNC1CC[NH+](Cc2ccccn2)CC1)[NH+](C)C ZINC000341442183 155293580 /nfs/dbraw/zinc/29/35/80/155293580.db2.gz QDLWEJDJTIFUGR-HXUWFJFHSA-N 2 1 332.536 3.002 20 0 EGADMP COc1ccc(CC[C@@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)cc1OC ZINC000262236803 286301366 /nfs/dbraw/zinc/30/13/66/286301366.db2.gz OOHAROIWOLZOET-IBGZPJMESA-N 2 1 346.515 3.491 20 0 EGADMP Cc1cccc(N2CCC([NH2+]Cc3nccn3-c3ccccc3)CC2)[nH+]1 ZINC000191103512 153176135 /nfs/dbraw/zinc/17/61/35/153176135.db2.gz LJJHJZAPKFNEPM-UHFFFAOYSA-N 2 1 347.466 3.334 20 0 EGADMP COCc1cccc(OCC2(C[NH2+][C@](C)(C[NH3+])C(C)C)CCC2)c1 ZINC000262129380 153784490 /nfs/dbraw/zinc/78/44/90/153784490.db2.gz NOCAFNWHHSRRDA-LJQANCHMSA-N 2 1 334.504 3.345 20 0 EGADMP CCOc1cc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)ccc1O ZINC000309732969 154140034 /nfs/dbraw/zinc/14/00/34/154140034.db2.gz UMZSMLUDLMWZKK-UHFFFAOYSA-N 2 1 328.456 3.403 20 0 EGADMP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000311151750 154146230 /nfs/dbraw/zinc/14/62/30/154146230.db2.gz NIWGQPPFKXFFDF-UYAOXDASSA-N 2 1 338.499 3.299 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000323581392 154170680 /nfs/dbraw/zinc/17/06/80/154170680.db2.gz VORFWQMLUCIKQK-OCCSQVGLSA-N 2 1 328.403 3.117 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337390202 154328560 /nfs/dbraw/zinc/32/85/60/154328560.db2.gz NCNSPBCWIOUUNH-DLBZAZTESA-N 2 1 334.504 3.265 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000340115207 155103396 /nfs/dbraw/zinc/10/33/96/155103396.db2.gz KVPSYLJWPMXVPC-VQTJNVASSA-N 2 1 345.531 3.300 20 0 EGADMP C[C@@H]1C[C@H](C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000352624998 156387304 /nfs/dbraw/zinc/38/73/04/156387304.db2.gz ACLMCWCFWJJBGJ-FTEYMNFISA-N 2 1 338.536 3.013 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000365406673 157115057 /nfs/dbraw/zinc/11/50/57/157115057.db2.gz XEBQFJXNKZHKIU-CQSZACIVSA-N 2 1 341.858 3.224 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000368714060 157270135 /nfs/dbraw/zinc/27/01/35/157270135.db2.gz HCKKFBYKPQMNJB-IBGZPJMESA-N 2 1 334.479 3.070 20 0 EGADMP C[C@@H](CNC(=O)c1ccc(-n2ccnc2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000110355178 162124328 /nfs/dbraw/zinc/12/43/28/162124328.db2.gz XDKALPDVTJLBTL-KRWDZBQOSA-N 2 1 348.450 3.123 20 0 EGADMP C[N@H+](C[C@H](O)Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480684 162234355 /nfs/dbraw/zinc/23/43/55/162234355.db2.gz JWJPOCVHMYRQRM-JOCHJYFZSA-N 2 1 338.495 3.186 20 0 EGADMP C[N@@H+](C[C@H](O)Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480684 162234360 /nfs/dbraw/zinc/23/43/60/162234360.db2.gz JWJPOCVHMYRQRM-JOCHJYFZSA-N 2 1 338.495 3.186 20 0 EGADMP c1cnn(-c2cc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)ccn2)c1 ZINC000151089920 162568283 /nfs/dbraw/zinc/56/82/83/162568283.db2.gz DSFLAYOQYIUMGB-UHFFFAOYSA-N 2 1 339.487 3.154 20 0 EGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@@H]2CCO[C@@H]21 ZINC000248413479 163003068 /nfs/dbraw/zinc/00/30/68/163003068.db2.gz LGWGMPBKMLWYLR-ZWMUSQMVSA-N 2 1 340.511 3.300 20 0 EGADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000248600557 163019168 /nfs/dbraw/zinc/01/91/68/163019168.db2.gz UYOPORWZIGBLDX-LNLFQRSKSA-N 2 1 343.515 3.106 20 0 EGADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000248600557 163019170 /nfs/dbraw/zinc/01/91/70/163019170.db2.gz UYOPORWZIGBLDX-LNLFQRSKSA-N 2 1 343.515 3.106 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2C[C@@H]4OCCC[C@@H]24)C3)cc1 ZINC000248763256 163033426 /nfs/dbraw/zinc/03/34/26/163033426.db2.gz DYDOFXQXTQPGHK-FITZOCOBSA-N 2 1 326.484 3.339 20 0 EGADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248969257 163048257 /nfs/dbraw/zinc/04/82/57/163048257.db2.gz CGUJRMAGUZCWFB-WRTQPQOASA-N 2 1 328.500 3.038 20 0 EGADMP CCc1nc(NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)cc(C)[nH+]1 ZINC000338835196 163359151 /nfs/dbraw/zinc/35/91/51/163359151.db2.gz UEUDRGLVXPTZBG-INIZCTEOSA-N 2 1 330.501 3.206 20 0 EGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cccc(F)c3F)CC2)C[C@@H](C)O1 ZINC000338939922 163394435 /nfs/dbraw/zinc/39/44/35/163394435.db2.gz GYXYMCYKJNFSLO-HUUCEWRRSA-N 2 1 338.442 3.286 20 0 EGADMP C[C@H](CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)OCc1ccccc1 ZINC000354727743 166019066 /nfs/dbraw/zinc/01/90/66/166019066.db2.gz HFORTDAZCYJCME-GFOJFJKKSA-N 2 1 346.515 3.165 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC000343757406 164028274 /nfs/dbraw/zinc/02/82/74/164028274.db2.gz PBGUDPKGKFNGDK-GOSISDBHSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC000343757406 164028276 /nfs/dbraw/zinc/02/82/76/164028276.db2.gz PBGUDPKGKFNGDK-GOSISDBHSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000343994415 164079061 /nfs/dbraw/zinc/07/90/61/164079061.db2.gz SCAFJNVNXIXPOL-CYBMUJFWSA-N 2 1 335.398 3.151 20 0 EGADMP CC(=O)c1c(C)cc(C)c(C[N@H+](C)CCCN(C)CC[NH+](C)C)c1C ZINC000344012451 164082315 /nfs/dbraw/zinc/08/23/15/164082315.db2.gz CCAGJCRGVMUYFM-UHFFFAOYSA-N 2 1 347.547 3.130 20 0 EGADMP CCC1(C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCOCC1 ZINC000344198217 164124704 /nfs/dbraw/zinc/12/47/04/164124704.db2.gz BLOHHJNDWNPYKK-UHFFFAOYSA-N 2 1 337.533 3.206 20 0 EGADMP CCC1(C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCOCC1 ZINC000344198217 164124705 /nfs/dbraw/zinc/12/47/05/164124705.db2.gz BLOHHJNDWNPYKK-UHFFFAOYSA-N 2 1 337.533 3.206 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000344234308 164132881 /nfs/dbraw/zinc/13/28/81/164132881.db2.gz OUURRPDKMQARFW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000344234308 164132883 /nfs/dbraw/zinc/13/28/83/164132883.db2.gz OUURRPDKMQARFW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000344234308 164132885 /nfs/dbraw/zinc/13/28/85/164132885.db2.gz OUURRPDKMQARFW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000345166069 164201409 /nfs/dbraw/zinc/20/14/09/164201409.db2.gz BDOSGFPVJHLHPO-UHFFFAOYSA-N 2 1 330.863 3.186 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H](NC3CC[NH+](C4CCC4)CC3)C2)cc1 ZINC000346174604 164357502 /nfs/dbraw/zinc/35/75/02/164357502.db2.gz LAYFGTZMVNPJPK-HXUWFJFHSA-N 2 1 327.516 3.258 20 0 EGADMP c1ccc(CN2CCC[C@@H]([NH2+]C3CC[NH+](C4CCC4)CC3)C2)cc1 ZINC000346174604 164357503 /nfs/dbraw/zinc/35/75/03/164357503.db2.gz LAYFGTZMVNPJPK-HXUWFJFHSA-N 2 1 327.516 3.258 20 0 EGADMP Cc1ccc([C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C2CCC2)o1 ZINC000349453538 164883070 /nfs/dbraw/zinc/88/30/70/164883070.db2.gz OVSIKMWJARNFGD-FQEVSTJZSA-N 2 1 333.520 3.292 20 0 EGADMP CCN(CCC[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352257182 165313425 /nfs/dbraw/zinc/31/34/25/165313425.db2.gz RDPWJIZLUJXXEY-UHFFFAOYSA-N 2 1 332.517 3.211 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352545869 165468606 /nfs/dbraw/zinc/46/86/06/165468606.db2.gz MNHPENNGWPEHPP-OAQYLSRUSA-N 2 1 337.467 3.333 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352545869 165468610 /nfs/dbraw/zinc/46/86/10/165468610.db2.gz MNHPENNGWPEHPP-OAQYLSRUSA-N 2 1 337.467 3.333 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)COc1ncccc1C(F)(F)F ZINC000355228108 166140711 /nfs/dbraw/zinc/14/07/11/166140711.db2.gz VRXJXBBMVRKAOQ-ZDUSSCGKSA-N 2 1 345.409 3.332 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1)C1CC1 ZINC000359290195 167117214 /nfs/dbraw/zinc/11/72/14/167117214.db2.gz RAOGKGXDCJUJNN-MRXNPFEDSA-N 2 1 345.531 3.377 20 0 EGADMP COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000360236031 167278228 /nfs/dbraw/zinc/27/82/28/167278228.db2.gz YRAOWYNXPFVRNS-AZUAARDMSA-N 2 1 334.504 3.219 20 0 EGADMP C[C@@H]1CCC[C@](C[NH2+]C2CCN(c3nccs3)CC2)([NH+](C)C)C1 ZINC000360715443 167395221 /nfs/dbraw/zinc/39/52/21/167395221.db2.gz GXRLZKVBTYOTDY-QAPCUYQASA-N 2 1 336.549 3.212 20 0 EGADMP Cc1ccc(NC(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000366887391 168152783 /nfs/dbraw/zinc/15/27/83/168152783.db2.gz SVCIKOXEUSMMGD-UHFFFAOYSA-N 2 1 349.906 3.395 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000366887391 168152784 /nfs/dbraw/zinc/15/27/84/168152784.db2.gz SVCIKOXEUSMMGD-UHFFFAOYSA-N 2 1 349.906 3.395 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000366951543 168160603 /nfs/dbraw/zinc/16/06/03/168160603.db2.gz JNZPJKHKHDZGCK-QUCCMNQESA-N 2 1 326.488 3.164 20 0 EGADMP Cc1ccc([C@@]2(C)CC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000367049224 168172892 /nfs/dbraw/zinc/17/28/92/168172892.db2.gz DAMUICRHGDMABK-QFIPXVFZSA-N 2 1 343.559 3.375 20 0 EGADMP COCCCn1nccc1CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000367120786 168181134 /nfs/dbraw/zinc/18/11/34/168181134.db2.gz ILWFYPJGOZZXFI-RBUKOAKNSA-N 2 1 348.535 3.006 20 0 EGADMP Clc1c(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cnn1Cc1ccccc1 ZINC000367401506 168220564 /nfs/dbraw/zinc/22/05/64/168220564.db2.gz ZPBVFLQQQQLOAU-ROUUACIJSA-N 2 1 344.890 3.301 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@@H]3c3cccnc3)CC2)cc1 ZINC000367471327 168230183 /nfs/dbraw/zinc/23/01/83/168230183.db2.gz PFYCQCMXLMZQMQ-LEWJYISDSA-N 2 1 337.467 3.166 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC[N@@H+]1C ZINC000193390236 266028538 /nfs/dbraw/zinc/02/85/38/266028538.db2.gz GVBZLYKBJNIGHC-OIISXLGYSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC[N@H+]1C ZINC000193390236 266028539 /nfs/dbraw/zinc/02/85/39/266028539.db2.gz GVBZLYKBJNIGHC-OIISXLGYSA-N 2 1 339.524 3.142 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000236727276 266212094 /nfs/dbraw/zinc/21/20/94/266212094.db2.gz AYXCOKVJAUXHLX-IBGZPJMESA-N 2 1 331.504 3.067 20 0 EGADMP C[C@H](C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1 ZINC000237573966 266238099 /nfs/dbraw/zinc/23/80/99/266238099.db2.gz HBTLLRZHITYAGM-LJQANCHMSA-N 2 1 337.511 3.327 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000269690464 266343465 /nfs/dbraw/zinc/34/34/65/266343465.db2.gz HXKLCJGOOBTPIC-QGZVFWFLSA-N 2 1 327.428 3.190 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000269690464 266343468 /nfs/dbraw/zinc/34/34/68/266343468.db2.gz HXKLCJGOOBTPIC-QGZVFWFLSA-N 2 1 327.428 3.190 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000273912933 267141152 /nfs/dbraw/zinc/14/11/52/267141152.db2.gz YCUHUEHRVIIVTJ-SNVBAGLBSA-N 2 1 341.228 3.229 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[NH2+]CC3=CC[N@@H+](C)CC3)o2)cc1 ZINC000274876528 267299737 /nfs/dbraw/zinc/29/97/37/267299737.db2.gz XTARFYGAYMCOSZ-UHFFFAOYSA-N 2 1 340.423 3.085 20 0 EGADMP C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274928852 267307717 /nfs/dbraw/zinc/30/77/17/267307717.db2.gz QNJYOSUNYDPKPG-ILZDJORESA-N 2 1 344.524 3.456 20 0 EGADMP Cc1ccc(C)c(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000275544399 267378357 /nfs/dbraw/zinc/37/83/57/267378357.db2.gz DRZXXNCLKMQOBS-LJQANCHMSA-N 2 1 338.499 3.181 20 0 EGADMP Cc1ccc(C)c(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000275544399 267378360 /nfs/dbraw/zinc/37/83/60/267378360.db2.gz DRZXXNCLKMQOBS-LJQANCHMSA-N 2 1 338.499 3.181 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cnc2ccsc2c1 ZINC000278412936 268007351 /nfs/dbraw/zinc/00/73/51/268007351.db2.gz FMCSDSZCMWDCGV-GJZGRUSLSA-N 2 1 333.501 3.448 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cnc2ccsc2c1 ZINC000278412936 268007352 /nfs/dbraw/zinc/00/73/52/268007352.db2.gz FMCSDSZCMWDCGV-GJZGRUSLSA-N 2 1 333.501 3.448 20 0 EGADMP COc1cccc2c(N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc(C)[nH+]c12 ZINC000133533969 274150184 /nfs/dbraw/zinc/15/01/84/274150184.db2.gz NFCXUOGFDXBFRQ-NVXWUHKLSA-N 2 1 325.456 3.472 20 0 EGADMP COc1cccc2c(N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc(C)[nH+]c12 ZINC000133533969 274150185 /nfs/dbraw/zinc/15/01/85/274150185.db2.gz NFCXUOGFDXBFRQ-NVXWUHKLSA-N 2 1 325.456 3.472 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCC[NH+]1CCCC1)CCC2 ZINC000192618832 275224467 /nfs/dbraw/zinc/22/44/67/275224467.db2.gz WEXBSMYAERRPLY-OAHLLOKOSA-N 2 1 334.460 3.218 20 0 EGADMP Fc1cc(Cl)cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000275022530 275249870 /nfs/dbraw/zinc/24/98/70/275249870.db2.gz UAVAODLGNTVUEK-ZDUSSCGKSA-N 2 1 326.843 3.070 20 0 EGADMP O[C@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000278824687 275278200 /nfs/dbraw/zinc/27/82/00/275278200.db2.gz HTQLHUPXGFJEOO-LJQANCHMSA-N 2 1 325.456 3.132 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279756008 275356596 /nfs/dbraw/zinc/35/65/96/275356596.db2.gz QWQRBXGWLRUVCB-NQIIRXRSSA-N 2 1 326.484 3.017 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279756008 275356599 /nfs/dbraw/zinc/35/65/99/275356599.db2.gz QWQRBXGWLRUVCB-NQIIRXRSSA-N 2 1 326.484 3.017 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279756008 275356600 /nfs/dbraw/zinc/35/66/00/275356600.db2.gz QWQRBXGWLRUVCB-NQIIRXRSSA-N 2 1 326.484 3.017 20 0 EGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000279928163 275377116 /nfs/dbraw/zinc/37/71/16/275377116.db2.gz MYUSDNABFWJMHQ-BZUAXINKSA-N 2 1 332.488 3.270 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000280045966 275396539 /nfs/dbraw/zinc/39/65/39/275396539.db2.gz VSXZTQRZFHLYAX-CABCVRRESA-N 2 1 332.488 3.412 20 0 EGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000283890892 275758892 /nfs/dbraw/zinc/75/88/92/275758892.db2.gz CNTGIBFMNJINLG-OAQYLSRUSA-N 2 1 340.515 3.204 20 0 EGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000285447825 275876990 /nfs/dbraw/zinc/87/69/90/275876990.db2.gz ZJBLHKAYHKCWJL-QZTJIDSGSA-N 2 1 347.503 3.360 20 0 EGADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c(F)cn1 ZINC000287902444 276168151 /nfs/dbraw/zinc/16/81/51/276168151.db2.gz ZRWHGBGYTXSBEX-CQSZACIVSA-N 2 1 347.434 3.021 20 0 EGADMP CC[N@H+](Cc1ccnn1CCCOC)Cc1ccc(C[NH+](C)C)cc1 ZINC000289402239 276333716 /nfs/dbraw/zinc/33/37/16/276333716.db2.gz GSAKLKMMGFMZAL-UHFFFAOYSA-N 2 1 344.503 3.003 20 0 EGADMP CC[N@@H+](Cc1ccnn1CCCOC)Cc1ccc(C[NH+](C)C)cc1 ZINC000289402239 276333717 /nfs/dbraw/zinc/33/37/17/276333717.db2.gz GSAKLKMMGFMZAL-UHFFFAOYSA-N 2 1 344.503 3.003 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1nccc2ccccc21 ZINC000289615513 276366974 /nfs/dbraw/zinc/36/69/74/276366974.db2.gz GOEQZNUMDFEAHF-SJORKVTESA-N 2 1 339.483 3.386 20 0 EGADMP COCCCOc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000289783248 276393614 /nfs/dbraw/zinc/39/36/14/276393614.db2.gz RQMOAXIPOHZSJB-DFNIBXOVSA-N 2 1 332.488 3.159 20 0 EGADMP COCCCOc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000289783248 276393616 /nfs/dbraw/zinc/39/36/16/276393616.db2.gz RQMOAXIPOHZSJB-DFNIBXOVSA-N 2 1 332.488 3.159 20 0 EGADMP COCCCOc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000289783248 276393618 /nfs/dbraw/zinc/39/36/18/276393618.db2.gz RQMOAXIPOHZSJB-DFNIBXOVSA-N 2 1 332.488 3.159 20 0 EGADMP COCCCOc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000289783248 276393619 /nfs/dbraw/zinc/39/36/19/276393619.db2.gz RQMOAXIPOHZSJB-DFNIBXOVSA-N 2 1 332.488 3.159 20 0 EGADMP CC(C)[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Nc1ccccc1 ZINC000352766161 277897885 /nfs/dbraw/zinc/89/78/85/277897885.db2.gz LNKSTBRXECMZQX-KRWDZBQOSA-N 2 1 332.517 3.431 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000362872357 279136970 /nfs/dbraw/zinc/13/69/70/279136970.db2.gz BCCFNRSXBOKVTQ-IBGZPJMESA-N 2 1 343.515 3.275 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1)C(C)C ZINC000269226706 279235879 /nfs/dbraw/zinc/23/58/79/279235879.db2.gz UYLACEFOOVZOMK-APWZRJJASA-N 2 1 331.504 3.035 20 0 EGADMP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000194985775 279987672 /nfs/dbraw/zinc/98/76/72/279987672.db2.gz WCNXCDILGJDYEJ-LNLFQRSKSA-N 2 1 341.503 3.242 20 0 EGADMP C[C@H](C(=O)N1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338047345 289272352 /nfs/dbraw/zinc/27/23/52/289272352.db2.gz HEIXFVZMZIZRSC-JWXAEQQXSA-N 2 1 335.536 3.112 20 0 EGADMP C[C@H](C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338047345 289272354 /nfs/dbraw/zinc/27/23/54/289272354.db2.gz HEIXFVZMZIZRSC-JWXAEQQXSA-N 2 1 335.536 3.112 20 0 EGADMP C[C@H](C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338047345 289272357 /nfs/dbraw/zinc/27/23/57/289272357.db2.gz HEIXFVZMZIZRSC-JWXAEQQXSA-N 2 1 335.536 3.112 20 0 EGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000073554426 307386732 /nfs/dbraw/zinc/38/67/32/307386732.db2.gz VBTXIDFPIZBEOH-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000073554426 307386734 /nfs/dbraw/zinc/38/67/34/307386734.db2.gz VBTXIDFPIZBEOH-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP COC(=O)c1cnc([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000414077208 309059355 /nfs/dbraw/zinc/05/93/55/309059355.db2.gz QZEYCVSSCLTFHM-ZIAGYGMSSA-N 2 1 339.505 3.235 20 0 EGADMP COC(=O)c1cnc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)s1 ZINC000414077208 309059356 /nfs/dbraw/zinc/05/93/56/309059356.db2.gz QZEYCVSSCLTFHM-ZIAGYGMSSA-N 2 1 339.505 3.235 20 0 EGADMP Cn1ccnc1[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000414175649 309064741 /nfs/dbraw/zinc/06/47/41/309064741.db2.gz HOEIKJUQSUYYKB-CRAIPNDOSA-N 2 1 346.906 3.484 20 0 EGADMP Cn1ccnc1[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000414175649 309064742 /nfs/dbraw/zinc/06/47/42/309064742.db2.gz HOEIKJUQSUYYKB-CRAIPNDOSA-N 2 1 346.906 3.484 20 0 EGADMP Cn1ccnc1[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000414175649 309064743 /nfs/dbraw/zinc/06/47/43/309064743.db2.gz HOEIKJUQSUYYKB-CRAIPNDOSA-N 2 1 346.906 3.484 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000414175928 309064973 /nfs/dbraw/zinc/06/49/73/309064973.db2.gz ISZXCTKGJIRMKA-ROUUACIJSA-N 3 1 333.520 3.010 20 0 EGADMP COc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc(OC)c1OC ZINC000414175911 309065002 /nfs/dbraw/zinc/06/50/02/309065002.db2.gz ISTMYPXJOHIOSC-GJZGRUSLSA-N 2 1 336.476 3.095 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)cc1 ZINC000414258599 309069170 /nfs/dbraw/zinc/06/91/70/309069170.db2.gz MGYFBOHPXRKCBJ-CQSZACIVSA-N 2 1 349.500 3.045 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)nn1C ZINC000414298159 309071293 /nfs/dbraw/zinc/07/12/93/309071293.db2.gz ZANAKICAVYQTJR-INIZCTEOSA-N 2 1 326.488 3.250 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)nn1C ZINC000414298159 309071294 /nfs/dbraw/zinc/07/12/94/309071294.db2.gz ZANAKICAVYQTJR-INIZCTEOSA-N 2 1 326.488 3.250 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000414326295 309073061 /nfs/dbraw/zinc/07/30/61/309073061.db2.gz LNDXFBLUQIGVDX-CQSZACIVSA-N 2 1 341.434 3.251 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248577686 308006192 /nfs/dbraw/zinc/00/61/92/308006192.db2.gz NUSYGIYDWUIVMV-OKZBNKHCSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248577686 308006193 /nfs/dbraw/zinc/00/61/93/308006193.db2.gz NUSYGIYDWUIVMV-OKZBNKHCSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248611332 308007130 /nfs/dbraw/zinc/00/71/30/308007130.db2.gz XSWVNMNUYMVVPG-QXCZDIPSSA-N 2 1 349.563 3.407 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248611332 308007132 /nfs/dbraw/zinc/00/71/32/308007132.db2.gz XSWVNMNUYMVVPG-QXCZDIPSSA-N 2 1 349.563 3.407 20 0 EGADMP COc1ccsc1[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248624072 308007700 /nfs/dbraw/zinc/00/77/00/308007700.db2.gz CEXSBOARWPPKQO-QLFBSQMISA-N 2 1 326.506 3.297 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)[C@@H](C)C1 ZINC000248766149 308011234 /nfs/dbraw/zinc/01/12/34/308011234.db2.gz GXFLKJPKLKMPNH-OKYOBFRVSA-N 2 1 340.552 3.305 20 0 EGADMP FC(F)COCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248889646 308014348 /nfs/dbraw/zinc/01/43/48/308014348.db2.gz AQCAAVUVAKLEGV-FGTMMUONSA-N 2 1 338.442 3.158 20 0 EGADMP Cc1ccc2c(CN3CC[C@]4(C3)CCC[N@H+](C)C4)cc(=O)oc2c1 ZINC000292866543 308074065 /nfs/dbraw/zinc/07/40/65/308074065.db2.gz CVSTVENFGXCCJR-HXUWFJFHSA-N 2 1 326.440 3.019 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)cc(=O)oc2c1 ZINC000292866543 308074066 /nfs/dbraw/zinc/07/40/66/308074066.db2.gz CVSTVENFGXCCJR-HXUWFJFHSA-N 2 1 326.440 3.019 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)cc(=O)oc2c1 ZINC000292866543 308074067 /nfs/dbraw/zinc/07/40/67/308074067.db2.gz CVSTVENFGXCCJR-HXUWFJFHSA-N 2 1 326.440 3.019 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cc(=O)oc2c1 ZINC000292866543 308074068 /nfs/dbraw/zinc/07/40/68/308074068.db2.gz CVSTVENFGXCCJR-HXUWFJFHSA-N 2 1 326.440 3.019 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cc(=O)oc2c1 ZINC000292866543 308074069 /nfs/dbraw/zinc/07/40/69/308074069.db2.gz CVSTVENFGXCCJR-HXUWFJFHSA-N 2 1 326.440 3.019 20 0 EGADMP C[N@H+]1CC[C@@]2(CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000292887628 308076735 /nfs/dbraw/zinc/07/67/35/308076735.db2.gz YNOHLCJHTQJDQS-GOSISDBHSA-N 2 1 330.863 3.053 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc(O)c2Cl)C[C@H](C)O1 ZINC000293676341 308151842 /nfs/dbraw/zinc/15/18/42/308151842.db2.gz VDPOLEAEMJLQBC-OKILXGFUSA-N 2 1 326.868 3.025 20 0 EGADMP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(Cl)c1OC ZINC000293711893 308155074 /nfs/dbraw/zinc/15/50/74/308155074.db2.gz MWPXEBFCSHTUCE-GZBFAFLISA-N 2 1 340.895 3.218 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCCCN[C@@H](c1cccs1)c1nnc[nH]1 ZINC000293716442 308155479 /nfs/dbraw/zinc/15/54/79/308155479.db2.gz MHADAFACSCCCLF-HOCLYGCPSA-N 2 1 333.505 3.200 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCN[C@@H](c1cccs1)c1nnc[nH]1 ZINC000293716442 308155480 /nfs/dbraw/zinc/15/54/80/308155480.db2.gz MHADAFACSCCCLF-HOCLYGCPSA-N 2 1 333.505 3.200 20 0 EGADMP C[NH+](C)C1(C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CCOCC1 ZINC000293728676 308156599 /nfs/dbraw/zinc/15/65/99/308156599.db2.gz MVWRHFPUQWGYMX-SFHVURJKSA-N 2 1 336.907 3.362 20 0 EGADMP COCC[N@@H+](C)CCCN[C@@H]1CCc2sc(Br)cc21 ZINC000293807496 308163801 /nfs/dbraw/zinc/16/38/01/308163801.db2.gz RLGYUBVXBKYCEZ-GFCCVEGCSA-N 2 1 347.322 3.056 20 0 EGADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000293807496 308163802 /nfs/dbraw/zinc/16/38/02/308163802.db2.gz RLGYUBVXBKYCEZ-GFCCVEGCSA-N 2 1 347.322 3.056 20 0 EGADMP CCOC(=O)c1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)[nH]c1C ZINC000295175539 308299544 /nfs/dbraw/zinc/29/95/44/308299544.db2.gz MBFBIKSBKAGFOA-UHFFFAOYSA-N 2 1 347.503 3.244 20 0 EGADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000295200983 308302262 /nfs/dbraw/zinc/30/22/62/308302262.db2.gz PBINUYAAMGJKIS-GGPKGHCWSA-N 2 1 343.515 3.108 20 0 EGADMP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)n1 ZINC000414632832 309092869 /nfs/dbraw/zinc/09/28/69/309092869.db2.gz YEXRAQDBGUUEKK-IJLUTSLNSA-N 2 1 348.413 3.492 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)cc1 ZINC000296069547 308390545 /nfs/dbraw/zinc/39/05/45/308390545.db2.gz SCJFMURUCDDZIQ-LPHOPBHVSA-N 2 1 342.487 3.399 20 0 EGADMP CC[N@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000414720266 309097294 /nfs/dbraw/zinc/09/72/94/309097294.db2.gz XZVJOQXPVIXOKS-KRWDZBQOSA-N 2 1 332.879 3.490 20 0 EGADMP CC[N@@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000414720266 309097295 /nfs/dbraw/zinc/09/72/95/309097295.db2.gz XZVJOQXPVIXOKS-KRWDZBQOSA-N 2 1 332.879 3.490 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000414716131 309097026 /nfs/dbraw/zinc/09/70/26/309097026.db2.gz ZJPDNCZMVIZGIS-TZMCWYRMSA-N 2 1 331.287 3.176 20 0 EGADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1OCc1ccccc1 ZINC000414658866 309094215 /nfs/dbraw/zinc/09/42/15/309094215.db2.gz KGJMXFZOCJQQBU-QFBILLFUSA-N 2 1 340.467 3.443 20 0 EGADMP C[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)CC(C)(C)C[NH3+] ZINC000414662061 309094275 /nfs/dbraw/zinc/09/42/75/309094275.db2.gz PTAUXFRKGJQYDV-UHFFFAOYSA-N 2 1 341.503 3.477 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](C)[NH2+]C2CC2)c1 ZINC000296589028 308444623 /nfs/dbraw/zinc/44/46/23/308444623.db2.gz XISPKQYZIGHLOU-CQSZACIVSA-N 2 1 326.444 3.134 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000414719011 309097377 /nfs/dbraw/zinc/09/73/77/309097377.db2.gz XFGNDRDFNZCPEF-MRXNPFEDSA-N 2 1 330.476 3.016 20 0 EGADMP C[C@@H]1C[C@@H](C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000414723501 309097552 /nfs/dbraw/zinc/09/75/52/309097552.db2.gz POZILJIGTZSCNM-RYRKJORJSA-N 3 1 333.545 3.080 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414762240 309099318 /nfs/dbraw/zinc/09/93/18/309099318.db2.gz ACQRPJXDFIPVPN-KDURUIRLSA-N 2 1 337.467 3.189 20 0 EGADMP c1nc(-c2ccccn2)sc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414778447 309100442 /nfs/dbraw/zinc/10/04/42/309100442.db2.gz IWDLRABZIVSECH-HUUCEWRRSA-N 2 1 328.485 3.027 20 0 EGADMP FC(F)(F)Oc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414778929 309100545 /nfs/dbraw/zinc/10/05/45/309100545.db2.gz JPNMKCJSXSDYBX-LSDHHAIUSA-N 2 1 328.378 3.407 20 0 EGADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000414781495 309100598 /nfs/dbraw/zinc/10/05/98/309100598.db2.gz NBVISDREBILRCX-KBPBESRZSA-N 2 1 341.268 3.410 20 0 EGADMP Fc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414783238 309100759 /nfs/dbraw/zinc/10/07/59/309100759.db2.gz PRSZYGLLJDJRTI-IAGOWNOFSA-N 2 1 331.479 3.247 20 0 EGADMP Brc1ccsc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784447 309101000 /nfs/dbraw/zinc/10/10/00/309101000.db2.gz RHIAFEPCXREWQN-NEPJUHHUSA-N 2 1 329.307 3.332 20 0 EGADMP FC(F)(F)COc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789180 309101497 /nfs/dbraw/zinc/10/14/97/309101497.db2.gz XVCKBNVHRQVUTL-CABCVRRESA-N 2 1 342.405 3.449 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]1SC ZINC000298568145 308625294 /nfs/dbraw/zinc/62/52/94/308625294.db2.gz WUBJTCITTVUNJX-AQNXPRMDSA-N 2 1 348.556 3.192 20 0 EGADMP CC(C)[N@H+]1CCc2nc(CNCc3ccc([C@H](C)[NH3+])cc3)sc2C1 ZINC000414814008 309103283 /nfs/dbraw/zinc/10/32/83/309103283.db2.gz VADBVKWOLOSFSU-AWEZNQCLSA-N 2 1 344.528 3.219 20 0 EGADMP Clc1cc(Br)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414829187 309104304 /nfs/dbraw/zinc/10/43/04/309104304.db2.gz NKCQFEWNYWXKAJ-FUNVUKJBSA-N 2 1 329.669 3.475 20 0 EGADMP Clc1c[nH+]ccc1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000301501610 308702958 /nfs/dbraw/zinc/70/29/58/308702958.db2.gz GLMSFTAANVMNKU-UHFFFAOYSA-N 2 1 330.863 3.359 20 0 EGADMP Cc1nc(COc2ccc(C[NH2+]CC3([NH3+])CCCCCC3)cc2)no1 ZINC000414862719 309106164 /nfs/dbraw/zinc/10/61/64/309106164.db2.gz WHVZIBNZNFSZHL-UHFFFAOYSA-N 2 1 344.459 3.098 20 0 EGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@@H](C)CC2CCOCC2)cc1 ZINC000414889891 309107585 /nfs/dbraw/zinc/10/75/85/309107585.db2.gz SXTPOKYUEAQOIW-NDXORKPFSA-N 2 1 346.515 3.183 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414912686 309108910 /nfs/dbraw/zinc/10/89/10/309108910.db2.gz VQSOBXJOSMIXRC-HXUWFJFHSA-N 2 1 326.488 3.028 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[NH2+]1 ZINC000414961405 309111711 /nfs/dbraw/zinc/11/17/11/309111711.db2.gz ZAPYRMJAZMLWBK-QFBILLFUSA-N 2 1 340.515 3.459 20 0 EGADMP CC[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CCO1 ZINC000414967486 309112129 /nfs/dbraw/zinc/11/21/29/309112129.db2.gz XJFFNAKSBSGBMO-JNNRSPCRSA-N 2 1 338.442 3.205 20 0 EGADMP CC[C@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000414979802 309112600 /nfs/dbraw/zinc/11/26/00/309112600.db2.gz OOOHCNIUAPNCPD-HNNXBMFYSA-N 2 1 326.469 3.428 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000414983258 309112825 /nfs/dbraw/zinc/11/28/25/309112825.db2.gz ZGJUOUQHAJTAFA-IBGZPJMESA-N 2 1 325.456 3.235 20 0 EGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000414996606 309113285 /nfs/dbraw/zinc/11/32/85/309113285.db2.gz GNIMSBDRUZTZQT-OBJCFNGXSA-N 3 1 345.506 3.029 20 0 EGADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415012838 309114280 /nfs/dbraw/zinc/11/42/80/309114280.db2.gz XRYFKNDMLBPMES-FXAWDEMLSA-N 2 1 344.478 3.394 20 0 EGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000415050503 309116677 /nfs/dbraw/zinc/11/66/77/309116677.db2.gz DAKXAJNBPIAMHF-HNNXBMFYSA-N 2 1 340.393 3.354 20 0 EGADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1OCc1cccnc1 ZINC000415057405 309117322 /nfs/dbraw/zinc/11/73/22/309117322.db2.gz SMGSKPNXZVBROR-IBGZPJMESA-N 2 1 343.471 3.132 20 0 EGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)C1CCCC1 ZINC000415062208 309117737 /nfs/dbraw/zinc/11/77/37/309117737.db2.gz DVIGYPWUPUPQLV-CQSZACIVSA-N 2 1 334.357 3.374 20 0 EGADMP FC(F)(F)c1cccc(C2(C[NH2+][C@H]3CCC[NH2+]C3)CCOCC2)c1 ZINC000415094164 309119922 /nfs/dbraw/zinc/11/99/22/309119922.db2.gz WXDDALWCXWDUOT-INIZCTEOSA-N 2 1 342.405 3.095 20 0 EGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000415109055 309120807 /nfs/dbraw/zinc/12/08/07/309120807.db2.gz NICUYWFEJOSIGD-IAGOWNOFSA-N 2 1 326.843 3.197 20 0 EGADMP CC(C)c1ccc(CC[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000415144145 309123562 /nfs/dbraw/zinc/12/35/62/309123562.db2.gz UOLSVSPGAONXMH-UXHICEINSA-N 2 1 328.500 3.053 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cccc(C[NH2+]C)c2)CC1 ZINC000415918415 309148564 /nfs/dbraw/zinc/14/85/64/309148564.db2.gz LKBPIUJIQGTEDO-UHFFFAOYSA-N 2 1 346.519 3.382 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420308296 309281095 /nfs/dbraw/zinc/28/10/95/309281095.db2.gz NJSBGQJWUUWSHC-YSVLISHTSA-N 2 1 342.439 3.169 20 0 EGADMP COc1ccc(Br)cc1C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420327310 309282240 /nfs/dbraw/zinc/28/22/40/309282240.db2.gz YFZROMBTDOJDJY-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331551 309282553 /nfs/dbraw/zinc/28/25/53/309282553.db2.gz CCXAPECNFDPEAZ-OALUTQOASA-N 2 1 343.515 3.071 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329412 309282605 /nfs/dbraw/zinc/28/26/05/309282605.db2.gz GRTHEAFBJLAJLE-OKILXGFUSA-N 2 1 344.480 3.119 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336069 309282996 /nfs/dbraw/zinc/28/29/96/309282996.db2.gz IKGKSNXHUWDVJO-HRCADAONSA-N 2 1 349.906 3.297 20 0 EGADMP C[N@@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)C1CC([NH3+])C1 ZINC000420336947 309283033 /nfs/dbraw/zinc/28/30/33/309283033.db2.gz QTESIEWBFASBIN-UHFFFAOYSA-N 2 1 339.439 3.229 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420339518 309283178 /nfs/dbraw/zinc/28/31/78/309283178.db2.gz LXJQPPSVFATALD-JKSUJKDBSA-N 2 1 347.528 3.059 20 0 EGADMP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420344110 309283348 /nfs/dbraw/zinc/28/33/48/309283348.db2.gz SCUKUYJCTWAGKR-HRCADAONSA-N 2 1 347.528 3.057 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420344043 309283355 /nfs/dbraw/zinc/28/33/55/309283355.db2.gz RUODCXOQDGQSIN-OTWHNJEPSA-N 2 1 343.515 3.260 20 0 EGADMP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000420346403 309283553 /nfs/dbraw/zinc/28/35/53/309283553.db2.gz WVWPPXSMBGSHQR-HRCADAONSA-N 2 1 326.444 3.037 20 0 EGADMP Cc1sc2[nH]c([C@@H](C)[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)nc(=O)c2c1C ZINC000420346650 309283577 /nfs/dbraw/zinc/28/35/77/309283577.db2.gz XALNDWIAYWNYFU-BNOWGMLFSA-N 2 1 346.500 3.006 20 0 EGADMP FC(F)(F)c1csc([C@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420359846 309284198 /nfs/dbraw/zinc/28/41/98/309284198.db2.gz KYDCVLSUOXAVDH-NEPJUHHUSA-N 2 1 333.423 3.341 20 0 EGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420370880 309284891 /nfs/dbraw/zinc/28/48/91/309284891.db2.gz CZGITFHBGQHMTO-DNVCBOLYSA-N 2 1 341.503 3.432 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420376625 309285145 /nfs/dbraw/zinc/28/51/45/309285145.db2.gz VHUZFVLFXBZHQG-INIZCTEOSA-N 2 1 335.517 3.234 20 0 EGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3coc(-c4cccs4)n3)CC2)C1 ZINC000420389680 309285978 /nfs/dbraw/zinc/28/59/78/309285978.db2.gz MIFTXFUKBRFAEN-HOCLYGCPSA-N 2 1 347.484 3.121 20 0 EGADMP c1sc(C2CCCC2)nc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420394344 309286208 /nfs/dbraw/zinc/28/62/08/309286208.db2.gz ZYAOBSIGELHKES-SJORKVTESA-N 2 1 347.528 3.001 20 0 EGADMP c1sc(C2CCCC2)nc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420394344 309286209 /nfs/dbraw/zinc/28/62/09/309286209.db2.gz ZYAOBSIGELHKES-SJORKVTESA-N 2 1 347.528 3.001 20 0 EGADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC1(O)CCCCCC1 ZINC000420921953 309301169 /nfs/dbraw/zinc/30/11/69/309301169.db2.gz NDQGJZFLJJPECS-UHFFFAOYSA-N 2 1 346.515 3.036 20 0 EGADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC1(O)CCCCCC1 ZINC000420921953 309301170 /nfs/dbraw/zinc/30/11/70/309301170.db2.gz NDQGJZFLJJPECS-UHFFFAOYSA-N 2 1 346.515 3.036 20 0 EGADMP c1coc(C2=CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000420968680 309304982 /nfs/dbraw/zinc/30/49/82/309304982.db2.gz XCPBVPSMKOCPPM-UHFFFAOYSA-N 2 1 338.451 3.401 20 0 EGADMP c1coc(C2=CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000420968680 309304983 /nfs/dbraw/zinc/30/49/83/309304983.db2.gz XCPBVPSMKOCPPM-UHFFFAOYSA-N 2 1 338.451 3.401 20 0 EGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(SC)cc1OC ZINC000422559998 309361606 /nfs/dbraw/zinc/36/16/06/309361606.db2.gz FPZNAHLMMNKINE-GUTXKFCHSA-N 2 1 338.517 3.231 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(OC)c1OC ZINC000422698293 309363504 /nfs/dbraw/zinc/36/35/04/309363504.db2.gz YNRVEDFGMUWXNJ-IXDOHACOSA-N 2 1 348.487 3.113 20 0 EGADMP CC1CCN([C@H](C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c2ccccc2)CC1 ZINC000422731374 309365754 /nfs/dbraw/zinc/36/57/54/309365754.db2.gz GXXXUBMDWDLTHX-SESVDKBCSA-N 2 1 329.532 3.437 20 0 EGADMP COc1ccc([C@H](CN[C@@H]2CC[NH2+]CC[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000422760904 309367067 /nfs/dbraw/zinc/36/70/67/309367067.db2.gz MHBHMYMXCNEZRQ-WMQCIHAUSA-N 2 1 345.531 3.200 20 0 EGADMP COc1ccc([C@H](CN[C@@H]2CCCC[C@@H]2C[NH3+])[NH+]2CCCCC2)cc1 ZINC000422770827 309367522 /nfs/dbraw/zinc/36/75/22/309367522.db2.gz WSWPURDIXAJTFK-NRSPTQNISA-N 2 1 345.531 3.329 20 0 EGADMP CCOc1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)O[C@@H](C)C2 ZINC000422775343 309367647 /nfs/dbraw/zinc/36/76/47/309367647.db2.gz BFJYRAXUSAJIAV-KLIQENQMSA-N 2 1 344.499 3.419 20 0 EGADMP COc1cc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])ccc1OCC(F)(F)F ZINC000422823888 309370438 /nfs/dbraw/zinc/37/04/38/309370438.db2.gz FJNGOSPWRSZAEK-KGLIPLIRSA-N 2 1 346.393 3.386 20 0 EGADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422827419 309370526 /nfs/dbraw/zinc/37/05/26/309370526.db2.gz DPSYTQZMBCTMLK-MOPGFXCFSA-N 2 1 326.488 3.123 20 0 EGADMP CCOCCOCc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422859366 309372430 /nfs/dbraw/zinc/37/24/30/309372430.db2.gz JVQGFFLSKXWVCB-SFTDATJTSA-N 2 1 340.467 3.474 20 0 EGADMP C[NH+](C)CCOc1cccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422900660 309374937 /nfs/dbraw/zinc/37/49/37/309374937.db2.gz QVINUHKBBMZCDX-NJDAHSKKSA-N 2 1 345.531 3.027 20 0 EGADMP C[C@H](C[C@@H]1COCC[NH2+]1)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422917032 309376084 /nfs/dbraw/zinc/37/60/84/309376084.db2.gz FHTOMIIYDGBDQG-MBOZVWFJSA-N 2 1 331.504 3.240 20 0 EGADMP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422945106 309377416 /nfs/dbraw/zinc/37/74/16/309377416.db2.gz UATYEADPZSEKNW-HFAKWTLXSA-N 2 1 329.257 3.249 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422996521 309379982 /nfs/dbraw/zinc/37/99/82/309379982.db2.gz MJZPKDCKLMCVRO-NRSPTQNISA-N 2 1 329.532 3.437 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+]C2CCC(C[NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC000423007837 309380589 /nfs/dbraw/zinc/38/05/89/309380589.db2.gz YQJJFMMATBMVGG-KJJOEJEFSA-N 3 1 329.532 3.394 20 0 EGADMP C[C@H](CN1CCCCCC1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423049670 309383024 /nfs/dbraw/zinc/38/30/24/309383024.db2.gz KELYIDBKAHRKOV-YFVAEKQCSA-N 2 1 343.515 3.096 20 0 EGADMP Fc1ccc(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1F ZINC000423054756 309383323 /nfs/dbraw/zinc/38/33/23/309383323.db2.gz UYNDSCTYYSHMIU-IPELMVKDSA-N 2 1 338.442 3.034 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C12CCOCC2 ZINC000423054574 309383413 /nfs/dbraw/zinc/38/34/13/309383413.db2.gz UZIXEIPDRUNLQD-ZGXWSNOMSA-N 2 1 344.499 3.044 20 0 EGADMP Cn1c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc2cc(Cl)ccc21 ZINC000423062853 309383886 /nfs/dbraw/zinc/38/38/86/309383886.db2.gz NWOXVARZEVCYGP-QLFBSQMISA-N 2 1 332.879 3.237 20 0 EGADMP c1ccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000423081723 309385006 /nfs/dbraw/zinc/38/50/06/309385006.db2.gz VJZOBKWXPIAGEF-FDKIHUSFSA-N 2 1 328.500 3.460 20 0 EGADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c(C)c1 ZINC000423137357 309387792 /nfs/dbraw/zinc/38/77/92/309387792.db2.gz WETYTJIACMYMNJ-RLLQIKCJSA-N 2 1 330.516 3.328 20 0 EGADMP Fc1cccc(-n2cccn2)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423166245 309388958 /nfs/dbraw/zinc/38/89/58/309388958.db2.gz UYCSJWVWCJNWBF-ZYSHUDEJSA-N 2 1 342.462 3.412 20 0 EGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000423266101 309393148 /nfs/dbraw/zinc/39/31/48/309393148.db2.gz CTJPYPBTNCOZKT-UWVGGRQHSA-N 2 1 338.345 3.396 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])nnn1-c1ccc(Cl)cc1 ZINC000423270525 309393450 /nfs/dbraw/zinc/39/34/50/309393450.db2.gz GNUKLCYRPRAGEY-DXCKQFNASA-N 2 1 347.894 3.397 20 0 EGADMP CCOCCC[N@H+]1CC[C@H](NCC[NH2+]C2CCCCCC2)[C@@H](C)C1 ZINC000423282059 309393996 /nfs/dbraw/zinc/39/39/96/309393996.db2.gz URWRVFFMXFZPDE-ICSRJNTNSA-N 2 1 339.568 3.025 20 0 EGADMP Cc1c([C@H](C)[NH2+]CC2C[NH2+]C2)cnn1-c1ccc(Cl)cc1Cl ZINC000423306793 309394660 /nfs/dbraw/zinc/39/46/60/309394660.db2.gz UVKCKPNSGZBHEI-JTQLQIEISA-N 2 1 339.270 3.358 20 0 EGADMP CC1CC[NH+](CCC[C@@H]([NH2+]CC2C[NH2+]C2)c2ccc(F)cc2)CC1 ZINC000423326735 309395301 /nfs/dbraw/zinc/39/53/01/309395301.db2.gz QXTNDDJOJBWALU-HXUWFJFHSA-N 3 1 333.495 3.188 20 0 EGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCc3ccccc3C2)cc1 ZINC000423327267 309395369 /nfs/dbraw/zinc/39/53/69/309395369.db2.gz JYOTUIRXDSTBFP-BVSLBCMMSA-N 2 1 336.479 3.288 20 0 EGADMP [NH3+][C@H](CN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000423330161 309395491 /nfs/dbraw/zinc/39/54/91/309395491.db2.gz TYWYXRARCLBHQJ-DOIPELPJSA-N 2 1 327.516 3.004 20 0 EGADMP [NH3+][C@@H](C[NH2+][C@H]1CCc2c1cc(Cl)cc2Br)C1CC1 ZINC000423329390 309395495 /nfs/dbraw/zinc/39/54/95/309395495.db2.gz SSXMQTUKIZHZDV-KBPBESRZSA-N 2 1 329.669 3.417 20 0 EGADMP [NH3+][C@H](CN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000423330164 309395499 /nfs/dbraw/zinc/39/54/99/309395499.db2.gz TYWYXRARCLBHQJ-XRXFAXGQSA-N 2 1 327.516 3.004 20 0 EGADMP [NH3+][C@@H](C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br)C1CC1 ZINC000423329393 309395628 /nfs/dbraw/zinc/39/56/28/309395628.db2.gz SSXMQTUKIZHZDV-UONOGXRCSA-N 2 1 329.669 3.417 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423345533 309396351 /nfs/dbraw/zinc/39/63/51/309396351.db2.gz XPUREZLUWMSOKC-FQEVSTJZSA-N 2 1 345.531 3.441 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC[NH2+]1 ZINC000423381723 309397907 /nfs/dbraw/zinc/39/79/07/309397907.db2.gz NXZWCZCRAGLTIQ-MLZLACJZSA-N 2 1 327.516 3.160 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC[NH2+]1 ZINC000423381723 309397908 /nfs/dbraw/zinc/39/79/08/309397908.db2.gz NXZWCZCRAGLTIQ-MLZLACJZSA-N 3 1 327.516 3.160 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC[NH2+]1 ZINC000423381723 309397909 /nfs/dbraw/zinc/39/79/09/309397909.db2.gz NXZWCZCRAGLTIQ-MLZLACJZSA-N 3 1 327.516 3.160 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)nnn1-c1ccc(Cl)cc1 ZINC000423396793 309398633 /nfs/dbraw/zinc/39/86/33/309398633.db2.gz SONDZLXFSLMZSG-TUKIKUTGSA-N 2 1 333.867 3.150 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccncc1F ZINC000423466690 309401266 /nfs/dbraw/zinc/40/12/66/309401266.db2.gz ITXURISZVJGRKX-DHSIGJKJSA-N 2 1 331.410 3.404 20 0 EGADMP C[C@@H]([NH3+])C1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000430927657 309621184 /nfs/dbraw/zinc/62/11/84/309621184.db2.gz JBOQIXCAELSBDK-SNVBAGLBSA-N 2 1 327.259 3.200 20 0 EGADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000438212097 309809274 /nfs/dbraw/zinc/80/92/74/309809274.db2.gz RQBIZKXQVZKMAT-CABCVRRESA-N 2 1 334.426 3.342 20 0 EGADMP CCOC(=O)c1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)[nH]c1C ZINC000449082918 310035729 /nfs/dbraw/zinc/03/57/29/310035729.db2.gz QUQWSJVDPGRCGZ-OAHLLOKOSA-N 2 1 335.492 3.102 20 0 EGADMP CSCC1CCC([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000449099916 310036993 /nfs/dbraw/zinc/03/69/93/310036993.db2.gz AIIJDZOPNRAZEG-OQSMONGASA-N 2 1 328.566 3.387 20 0 EGADMP COc1cc(C)ccc1C[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000449144946 310040208 /nfs/dbraw/zinc/04/02/08/310040208.db2.gz VONASOVDVUBXKP-UHFFFAOYSA-N 2 1 325.456 3.466 20 0 EGADMP COc1nccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)n1 ZINC000449219491 310045413 /nfs/dbraw/zinc/04/54/13/310045413.db2.gz NINHVTIRVCHMKK-UHFFFAOYSA-N 2 1 340.471 3.007 20 0 EGADMP CCN(C)C(=O)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(C)C ZINC000449439232 310062230 /nfs/dbraw/zinc/06/22/30/310062230.db2.gz HBXBMXFNABAPOK-QRQLOZEOSA-N 2 1 337.552 3.122 20 0 EGADMP OCC1(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000449579799 310073512 /nfs/dbraw/zinc/07/35/12/310073512.db2.gz JVGPCMZPRMOJOX-VAMGGRTRSA-N 2 1 328.500 3.039 20 0 EGADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449592870 310074359 /nfs/dbraw/zinc/07/43/59/310074359.db2.gz ZDBZBULGJZBXAJ-MDNKFWRPSA-N 2 1 344.499 3.218 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000450333220 310115964 /nfs/dbraw/zinc/11/59/64/310115964.db2.gz YTJRWMUUZGYGER-HDICACEKSA-N 2 1 349.950 3.373 20 0 EGADMP CCc1cc(N(C)C[C@@H]2CCC[N@H+](CC)[C@H]2c2cnn(C)c2)cc[nH+]1 ZINC000450453005 310123574 /nfs/dbraw/zinc/12/35/74/310123574.db2.gz LAVLTPOOGBLPST-OXJNMPFZSA-N 2 1 341.503 3.287 20 0 EGADMP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]c4ccc(Br)cc43)C[C@@H]21 ZINC000450791690 310142683 /nfs/dbraw/zinc/14/26/83/310142683.db2.gz MYIHKWLAOGMRST-BZNIZROVSA-N 2 1 332.245 3.138 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]c4ccc(Br)cc43)C[C@@H]21 ZINC000450791690 310142684 /nfs/dbraw/zinc/14/26/84/310142684.db2.gz MYIHKWLAOGMRST-BZNIZROVSA-N 2 1 332.245 3.138 20 0 EGADMP CO[C@@H]1CC[N@@H+](C/C=C\C[NH+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451561653 310186711 /nfs/dbraw/zinc/18/67/11/310186711.db2.gz IHCKGAIJULOCCS-UNWHRZBZSA-N 2 1 338.536 3.036 20 0 EGADMP CO[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451561653 310186712 /nfs/dbraw/zinc/18/67/12/310186712.db2.gz IHCKGAIJULOCCS-UNWHRZBZSA-N 2 1 338.536 3.036 20 0 EGADMP CO[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451561653 310186713 /nfs/dbraw/zinc/18/67/13/310186713.db2.gz IHCKGAIJULOCCS-UNWHRZBZSA-N 2 1 338.536 3.036 20 0 EGADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CCn1cc[nH+]c1C(C)C ZINC000452774372 310241439 /nfs/dbraw/zinc/24/14/39/310241439.db2.gz NDFKZSPHQVOBLX-KRWDZBQOSA-N 2 1 334.508 3.023 20 0 EGADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000453126356 310259646 /nfs/dbraw/zinc/25/96/46/310259646.db2.gz OWISTTUVUSEFSO-RTBURBONSA-N 2 1 330.497 3.426 20 0 EGADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000453126356 310259647 /nfs/dbraw/zinc/25/96/47/310259647.db2.gz OWISTTUVUSEFSO-RTBURBONSA-N 2 1 330.497 3.426 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000453166960 310261978 /nfs/dbraw/zinc/26/19/78/310261978.db2.gz HXPLQRGMEIFCPZ-WSTZPKSXSA-N 2 1 338.499 3.298 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453176284 310262486 /nfs/dbraw/zinc/26/24/86/310262486.db2.gz LSENVFOKCOUVBQ-RBUKOAKNSA-N 2 1 334.891 3.282 20 0 EGADMP CO[C@H]1COCC[C@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453334958 310271659 /nfs/dbraw/zinc/27/16/59/310271659.db2.gz XPQZPXUWBYOPQK-HAMDTZRPSA-N 2 1 346.515 3.071 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000453342984 310271945 /nfs/dbraw/zinc/27/19/45/310271945.db2.gz IINKCCMWOXPISN-WWTUQBGBSA-N 2 1 327.472 3.192 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cc(C)ccc2F)[C@@H](C)C1 ZINC000453340905 310272049 /nfs/dbraw/zinc/27/20/49/310272049.db2.gz HFEVQMDCCHVUSM-PXNSSMCTSA-N 2 1 336.495 3.403 20 0 EGADMP CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000453345474 310272122 /nfs/dbraw/zinc/27/21/22/310272122.db2.gz KAQYNRWPGZWFRD-CVEARBPZSA-N 2 1 330.476 3.255 20 0 EGADMP C[C@H]([C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@]2(CCOC2)C1 ZINC000453381831 310273895 /nfs/dbraw/zinc/27/38/95/310273895.db2.gz RIFXWROOWRIJJV-HLAWJBBLSA-N 2 1 328.500 3.400 20 0 EGADMP C[C@H]([C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453381831 310273896 /nfs/dbraw/zinc/27/38/96/310273896.db2.gz RIFXWROOWRIJJV-HLAWJBBLSA-N 2 1 328.500 3.400 20 0 EGADMP C[C@H]([C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453381831 310273897 /nfs/dbraw/zinc/27/38/97/310273897.db2.gz RIFXWROOWRIJJV-HLAWJBBLSA-N 2 1 328.500 3.400 20 0 EGADMP Cc1cc(C)c(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c(C)n1 ZINC000455528608 310365184 /nfs/dbraw/zinc/36/51/84/310365184.db2.gz QTHHBQAYQIMOOS-CYBMUJFWSA-N 2 1 330.476 3.345 20 0 EGADMP c1nc(SC2CCCC2)ncc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459594923 310563228 /nfs/dbraw/zinc/56/32/28/310563228.db2.gz SEHIFHCKQLDUAT-UHFFFAOYSA-N 2 1 346.544 3.270 20 0 EGADMP CC(C)c1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)nc(N(C)C)[nH+]1 ZINC000462852973 310606806 /nfs/dbraw/zinc/60/68/06/310606806.db2.gz MKFWUBJJLMRCOB-MRXNPFEDSA-N 2 1 331.508 3.121 20 0 EGADMP C(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)CCOC1CCCCC1 ZINC000484805973 310970446 /nfs/dbraw/zinc/97/04/46/310970446.db2.gz LPPHDJWLTPSKJW-VAMGGRTRSA-N 2 1 338.536 3.253 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000486939120 311003114 /nfs/dbraw/zinc/00/31/14/311003114.db2.gz JHJIUKSDQQQIEM-XLIONFOSSA-N 2 1 343.515 3.097 20 0 EGADMP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)CS1 ZINC000488419272 311064883 /nfs/dbraw/zinc/06/48/83/311064883.db2.gz ZXUMXUALIJLDMF-WOJBJXKFSA-N 2 1 347.572 3.054 20 0 EGADMP C[C@H]([NH2+][C@H](CO)CC1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511029751 312153426 /nfs/dbraw/zinc/15/34/26/312153426.db2.gz MKHZSPPBXLGSRP-YYWHXJBOSA-N 2 1 330.516 3.428 20 0 EGADMP Fc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037408302 453935890 /nfs/dbraw/zinc/93/58/90/453935890.db2.gz VOQXJKSRPVVEKO-NSHDSACASA-N 2 1 327.241 3.162 20 0 EGADMP Fc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408302 453935891 /nfs/dbraw/zinc/93/58/91/453935891.db2.gz VOQXJKSRPVVEKO-NSHDSACASA-N 2 1 327.241 3.162 20 0 EGADMP COc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000512180168 312178229 /nfs/dbraw/zinc/17/82/29/312178229.db2.gz MUBBKMLMFHRLKZ-HDICACEKSA-N 2 1 346.515 3.325 20 0 EGADMP CC(C)[N@@H+](C)CCN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512625249 312190454 /nfs/dbraw/zinc/19/04/54/312190454.db2.gz MMQHPPWQKMKLLG-NJDAHSKKSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[NH+](C)CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512625249 312190455 /nfs/dbraw/zinc/19/04/55/312190455.db2.gz MMQHPPWQKMKLLG-NJDAHSKKSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[NH+](C)CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512625249 312190456 /nfs/dbraw/zinc/19/04/56/312190456.db2.gz MMQHPPWQKMKLLG-NJDAHSKKSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)N(C)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512625249 312190458 /nfs/dbraw/zinc/19/04/58/312190458.db2.gz MMQHPPWQKMKLLG-NJDAHSKKSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)N(C)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512625249 312190459 /nfs/dbraw/zinc/19/04/59/312190459.db2.gz MMQHPPWQKMKLLG-NJDAHSKKSA-N 3 1 329.532 3.217 20 0 EGADMP CCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512665687 312191825 /nfs/dbraw/zinc/19/18/25/312191825.db2.gz HBXBWSSRMARKSH-BQJUDKOJSA-N 2 1 330.516 3.428 20 0 EGADMP CC[C@H](C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C)[NH+]1CCCC1 ZINC000513762861 312217495 /nfs/dbraw/zinc/21/74/95/312217495.db2.gz UBXVMQLBEDWUMX-MAUKXSAKSA-N 2 1 334.504 3.407 20 0 EGADMP CC(C)c1ccc([C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000514149402 312226545 /nfs/dbraw/zinc/22/65/45/312226545.db2.gz MBWJXBPRBIPPPU-NRFANRHFSA-N 2 1 345.531 3.261 20 0 EGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(-c4cccs4)on3)CC2)C1 ZINC000516556903 312329380 /nfs/dbraw/zinc/32/93/80/312329380.db2.gz WRGGFXOUSGZNCG-ZBFHGGJFSA-N 2 1 347.484 3.121 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000516862169 312345978 /nfs/dbraw/zinc/34/59/78/312345978.db2.gz MKQXUGAKVLYCEW-OAQYLSRUSA-N 2 1 326.484 3.222 20 0 EGADMP CCc1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000517525062 312382062 /nfs/dbraw/zinc/38/20/62/312382062.db2.gz QDHHQQMJJQHMCY-QGZVFWFLSA-N 2 1 349.569 3.450 20 0 EGADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000520197328 312495480 /nfs/dbraw/zinc/49/54/80/312495480.db2.gz ISKDQBPZDFAHDI-MAUKXSAKSA-N 2 1 344.478 3.329 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1F ZINC000522546671 312592027 /nfs/dbraw/zinc/59/20/27/312592027.db2.gz YPUOPKLGEZITCE-YOEHRIQHSA-N 2 1 337.483 3.417 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000528424804 313090103 /nfs/dbraw/zinc/09/01/03/313090103.db2.gz NDWAPWWWTGYKRW-WMQCIHAUSA-N 2 1 346.490 3.332 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000528424804 313090105 /nfs/dbraw/zinc/09/01/05/313090105.db2.gz NDWAPWWWTGYKRW-WMQCIHAUSA-N 2 1 346.490 3.332 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000528424804 313090109 /nfs/dbraw/zinc/09/01/09/313090109.db2.gz NDWAPWWWTGYKRW-WMQCIHAUSA-N 2 1 346.490 3.332 20 0 EGADMP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000528894592 313203743 /nfs/dbraw/zinc/20/37/43/313203743.db2.gz FBMAPINXXGQJPE-IBGZPJMESA-N 2 1 344.503 3.277 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(C)cc2)[C@@H](C)C1 ZINC000536864857 314150893 /nfs/dbraw/zinc/15/08/93/314150893.db2.gz UIFWHVXAOOWMEU-AZUAARDMSA-N 2 1 334.504 3.100 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)NCC(C)C)CC1)CC(C)C ZINC000537996794 314223153 /nfs/dbraw/zinc/22/31/53/314223153.db2.gz XVIAWBCVNHUTII-SFHVURJKSA-N 2 1 339.568 3.227 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)NC2CCCC2)CC1)CC1CC1 ZINC000538948467 314286907 /nfs/dbraw/zinc/28/69/07/314286907.db2.gz KRPTZCALSJJYJZ-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2Cc2ccccc2)[C@@H](C)C1 ZINC000539088516 314295806 /nfs/dbraw/zinc/29/58/06/314295806.db2.gz VLNSSKMEQLOSRA-ZIBCJSCZSA-N 2 1 330.516 3.344 20 0 EGADMP Cc1sccc1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000549734148 315103127 /nfs/dbraw/zinc/10/31/27/315103127.db2.gz UEHLMAZZBMPKSA-IBGZPJMESA-N 2 1 329.513 3.135 20 0 EGADMP CC(C)[C@@H](CNC(=[NH2+])N1CCC(C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000550814666 315135535 /nfs/dbraw/zinc/13/55/35/315135535.db2.gz IMNHJSLIDNPINI-HXUWFJFHSA-N 2 1 342.531 3.326 20 0 EGADMP CCc1[nH+]c2ccccc2c(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1C ZINC000553603576 315272276 /nfs/dbraw/zinc/27/22/76/315272276.db2.gz FAMDCZGUOJKKLT-DOTOQJQBSA-N 2 1 339.483 3.405 20 0 EGADMP CC(C)[C@@H](C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC000554071767 315296364 /nfs/dbraw/zinc/29/63/64/315296364.db2.gz OLEAWFFSBSHHJD-BZUAXINKSA-N 2 1 336.442 3.442 20 0 EGADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1Oc1ccncc1 ZINC000554795422 315349236 /nfs/dbraw/zinc/34/92/36/315349236.db2.gz DTQGQMRVKOGCFH-KBXCAEBGSA-N 2 1 337.423 3.086 20 0 EGADMP C[C@@H]1C[C@H](C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000554961070 315359688 /nfs/dbraw/zinc/35/96/88/315359688.db2.gz RSWQBDXCMVSHNU-CWJKEVGVSA-N 2 1 328.500 3.255 20 0 EGADMP C[C@@H]1C[C@H](C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000554961070 315359689 /nfs/dbraw/zinc/35/96/89/315359689.db2.gz RSWQBDXCMVSHNU-CWJKEVGVSA-N 2 1 328.500 3.255 20 0 EGADMP c1[nH+]c(C2CC[NH+](Cc3ccc4c(n3)CCC4)CC2)n2c1CCCC2 ZINC000562687317 315878565 /nfs/dbraw/zinc/87/85/65/315878565.db2.gz YNNBSEZXRZMRHV-UHFFFAOYSA-N 2 1 336.483 3.483 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CC3CCC3)C(C)C)CC2)CC1 ZINC000563396020 316014387 /nfs/dbraw/zinc/01/43/87/316014387.db2.gz WKVHPRBGOUSEOH-UHFFFAOYSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(C)(C)[C@@H]3C(C)C)CC2)CC1 ZINC000563401739 316014947 /nfs/dbraw/zinc/01/49/47/316014947.db2.gz DVQSMIULDQSHPE-IBGZPJMESA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH2+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000564201073 316122744 /nfs/dbraw/zinc/12/27/44/316122744.db2.gz PIFOGZCZHVXTMT-PWRODBHTSA-N 2 1 329.532 3.407 20 0 EGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000564201073 316122747 /nfs/dbraw/zinc/12/27/47/316122747.db2.gz PIFOGZCZHVXTMT-PWRODBHTSA-N 3 1 329.532 3.407 20 0 EGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000564201073 316122750 /nfs/dbraw/zinc/12/27/50/316122750.db2.gz PIFOGZCZHVXTMT-PWRODBHTSA-N 3 1 329.532 3.407 20 0 EGADMP [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000565028599 316251638 /nfs/dbraw/zinc/25/16/38/316251638.db2.gz JJCVIJPBVVBUMV-DOTOQJQBSA-N 2 1 347.528 3.082 20 0 EGADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000565164131 316278811 /nfs/dbraw/zinc/27/88/11/316278811.db2.gz MBUODWYRVNPQPF-BBRMVZONSA-N 2 1 332.410 3.401 20 0 EGADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000565164131 316278814 /nfs/dbraw/zinc/27/88/14/316278814.db2.gz MBUODWYRVNPQPF-BBRMVZONSA-N 2 1 332.410 3.401 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000565164131 316278817 /nfs/dbraw/zinc/27/88/17/316278817.db2.gz MBUODWYRVNPQPF-BBRMVZONSA-N 2 1 332.410 3.401 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000565164131 316278819 /nfs/dbraw/zinc/27/88/19/316278819.db2.gz MBUODWYRVNPQPF-BBRMVZONSA-N 2 1 332.410 3.401 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000565488625 316330963 /nfs/dbraw/zinc/33/09/63/316330963.db2.gz CHXMNJHASXTQTL-MRXNPFEDSA-N 2 1 342.270 3.373 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cnc(C3CCCCC3)s2)CC12CCOCC2 ZINC000565833369 316376487 /nfs/dbraw/zinc/37/64/87/316376487.db2.gz AIMJEUAZZPBWBV-INIZCTEOSA-N 2 1 349.544 3.378 20 0 EGADMP C[C@H](C[C@H]1COCC[NH2+]1)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000566672717 316511333 /nfs/dbraw/zinc/51/13/33/316511333.db2.gz GZHNTTCLWQBBBH-HIFRSBDPSA-N 2 1 330.476 3.050 20 0 EGADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000570360058 317044769 /nfs/dbraw/zinc/04/47/69/317044769.db2.gz KGMXNGPUNAIMBJ-OLZOCXBDSA-N 2 1 343.284 3.451 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000570895329 317122478 /nfs/dbraw/zinc/12/24/78/317122478.db2.gz QEMDQPROZBXOAV-GCJKJVERSA-N 2 1 341.543 3.337 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000573370159 317476019 /nfs/dbraw/zinc/47/60/19/317476019.db2.gz WHOYWRRRNDDKJV-HUUCEWRRSA-N 2 1 343.475 3.302 20 0 EGADMP CCCC(CCC)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000177318322 323338471 /nfs/dbraw/zinc/33/84/71/323338471.db2.gz SYEFWMHVFHVKLU-IBGZPJMESA-N 2 1 345.531 3.442 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc2c1OCO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000385661654 324263775 /nfs/dbraw/zinc/26/37/75/324263775.db2.gz CGVQXMPUVPKREL-VQIMIIECSA-N 2 1 338.451 3.416 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc2c1OCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000385661654 324263779 /nfs/dbraw/zinc/26/37/79/324263779.db2.gz CGVQXMPUVPKREL-VQIMIIECSA-N 2 1 338.451 3.416 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386593971 324269035 /nfs/dbraw/zinc/26/90/35/324269035.db2.gz SFVHTYIZZVLJJP-TWMKSMIVSA-N 2 1 339.524 3.237 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386593971 324269039 /nfs/dbraw/zinc/26/90/39/324269039.db2.gz SFVHTYIZZVLJJP-TWMKSMIVSA-N 2 1 339.524 3.237 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000386538047 324269244 /nfs/dbraw/zinc/26/92/44/324269244.db2.gz CLPWBWCNDVPORB-WBVHZDCISA-N 2 1 339.524 3.238 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC000518833433 324390213 /nfs/dbraw/zinc/39/02/13/324390213.db2.gz SREOOWQEDIJNLU-WOJBJXKFSA-N 2 1 345.531 3.306 20 0 EGADMP c1cncc([C@H]2CC[NH+](CCC[N@H+]3CC[C@H](c4cccnc4)C3)C2)c1 ZINC000580427794 325248573 /nfs/dbraw/zinc/24/85/73/325248573.db2.gz PJCCTMHXQAQJDM-SFTDATJTSA-N 2 1 336.483 3.146 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000580567665 325268718 /nfs/dbraw/zinc/26/87/18/325268718.db2.gz HOKUTWDAZBDPPX-MOPGFXCFSA-N 2 1 331.504 3.051 20 0 EGADMP CCC(CC)(C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(=O)OC ZINC000581086150 325328813 /nfs/dbraw/zinc/32/88/13/325328813.db2.gz SXQOHDWPHOBNPZ-QZTJIDSGSA-N 2 1 332.488 3.391 20 0 EGADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(=O)OC ZINC000581086150 325328815 /nfs/dbraw/zinc/32/88/15/325328815.db2.gz SXQOHDWPHOBNPZ-QZTJIDSGSA-N 2 1 332.488 3.391 20 0 EGADMP CCC(CC)(C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(=O)OC ZINC000581086152 325328821 /nfs/dbraw/zinc/32/88/21/325328821.db2.gz SXQOHDWPHOBNPZ-ROUUACIJSA-N 2 1 332.488 3.391 20 0 EGADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(=O)OC ZINC000581086152 325328823 /nfs/dbraw/zinc/32/88/23/325328823.db2.gz SXQOHDWPHOBNPZ-ROUUACIJSA-N 2 1 332.488 3.391 20 0 EGADMP COc1c(Br)cccc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459734434 458461620 /nfs/dbraw/zinc/46/16/20/458461620.db2.gz HDJUITGXXGNJBG-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495351696 458840309 /nfs/dbraw/zinc/84/03/09/458840309.db2.gz HHMIQEGHRHLKGZ-GJZGRUSLSA-N 2 1 327.513 3.094 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495351696 458840313 /nfs/dbraw/zinc/84/03/13/458840313.db2.gz HHMIQEGHRHLKGZ-GJZGRUSLSA-N 2 1 327.513 3.094 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495351696 458840321 /nfs/dbraw/zinc/84/03/21/458840321.db2.gz HHMIQEGHRHLKGZ-GJZGRUSLSA-N 2 1 327.513 3.094 20 0 EGADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000158149107 455274606 /nfs/dbraw/zinc/27/46/06/455274606.db2.gz NLEGMLQCBVDCBV-HOCLYGCPSA-N 2 1 330.451 3.312 20 0 EGADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000158149107 455274609 /nfs/dbraw/zinc/27/46/09/455274609.db2.gz NLEGMLQCBVDCBV-HOCLYGCPSA-N 2 1 330.451 3.312 20 0 EGADMP C[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000017313947 453633258 /nfs/dbraw/zinc/63/32/58/453633258.db2.gz RVXPFFIKWZOZFY-UHFFFAOYSA-N 2 1 347.466 3.118 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000081401622 453868936 /nfs/dbraw/zinc/86/89/36/453868936.db2.gz ZLKFIQDPUJCJKX-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP COC(=O)c1oc([C@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000245974031 455409340 /nfs/dbraw/zinc/40/93/40/455409340.db2.gz GAYDMQNGMLLBLC-GJZGRUSLSA-N 2 1 345.443 3.124 20 0 EGADMP COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000245974031 455409344 /nfs/dbraw/zinc/40/93/44/455409344.db2.gz GAYDMQNGMLLBLC-GJZGRUSLSA-N 2 1 345.443 3.124 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCCC[NH+]1CCCC[C@@H]1C)c1ccccc1 ZINC000057912595 454156511 /nfs/dbraw/zinc/15/65/11/454156511.db2.gz SNJHANJZZVDURK-ICSRJNTNSA-N 2 1 345.531 3.450 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000057912595 454156514 /nfs/dbraw/zinc/15/65/14/454156514.db2.gz SNJHANJZZVDURK-ICSRJNTNSA-N 2 1 345.531 3.450 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000057912595 454156520 /nfs/dbraw/zinc/15/65/20/454156520.db2.gz SNJHANJZZVDURK-ICSRJNTNSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000089514002 454158329 /nfs/dbraw/zinc/15/83/29/454158329.db2.gz XNNRJWZKCCMDFC-PASDCYSWSA-N 2 1 331.504 3.490 20 0 EGADMP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000089514002 454158330 /nfs/dbraw/zinc/15/83/30/454158330.db2.gz XNNRJWZKCCMDFC-PASDCYSWSA-N 2 1 331.504 3.490 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000089555981 454162270 /nfs/dbraw/zinc/16/22/70/454162270.db2.gz FVNKEJNMRBTLAD-IOASZLSFSA-N 2 1 348.878 3.251 20 0 EGADMP C[C@@H]1C[C@@H](N(C)CC[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000089615099 454167385 /nfs/dbraw/zinc/16/73/85/454167385.db2.gz LWPYVRYFFLFCGS-GIVPXCGWSA-N 2 1 329.532 3.456 20 0 EGADMP C[C@@H]1C[C@@H](N(C)CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000089615099 454167386 /nfs/dbraw/zinc/16/73/86/454167386.db2.gz LWPYVRYFFLFCGS-GIVPXCGWSA-N 2 1 329.532 3.456 20 0 EGADMP C[C@@H]1C[C@@H](N(C)CC[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000089615099 454167388 /nfs/dbraw/zinc/16/73/88/454167388.db2.gz LWPYVRYFFLFCGS-GIVPXCGWSA-N 2 1 329.532 3.456 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOc2cccc3cccnc32)[C@H](C)C1 ZINC000089627538 454169939 /nfs/dbraw/zinc/16/99/39/454169939.db2.gz DAHGMOASRJRVOL-SJLPKXTDSA-N 2 1 327.472 3.324 20 0 EGADMP OC1CC[NH+](CCC[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000089697644 454178745 /nfs/dbraw/zinc/17/87/45/454178745.db2.gz WAVWBODLRDMAIW-KRWDZBQOSA-N 2 1 343.298 3.417 20 0 EGADMP Clc1cccc(-c2noc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)n2)c1 ZINC000089728239 454184232 /nfs/dbraw/zinc/18/42/32/454184232.db2.gz IPWJNCOUKFAHGY-JKSUJKDBSA-N 2 1 346.862 3.149 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000130777936 454218108 /nfs/dbraw/zinc/21/81/08/454218108.db2.gz WSQCXBLPENSKRL-UHFFFAOYSA-N 2 1 342.365 3.050 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000130777936 454218113 /nfs/dbraw/zinc/21/81/13/454218113.db2.gz WSQCXBLPENSKRL-UHFFFAOYSA-N 2 1 342.365 3.050 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(OC[C@H]2CCCO2)c1 ZINC000119768733 454218939 /nfs/dbraw/zinc/21/89/39/454218939.db2.gz WNGSGISNLWTWSS-RAUXBKROSA-N 2 1 346.515 3.371 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(OC[C@H]2CCCO2)c1 ZINC000119768733 454218940 /nfs/dbraw/zinc/21/89/40/454218940.db2.gz WNGSGISNLWTWSS-RAUXBKROSA-N 2 1 346.515 3.371 20 0 EGADMP Cc1nc2ccccc2n1CCC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000119981945 454243612 /nfs/dbraw/zinc/24/36/12/454243612.db2.gz GETZWYDNVQLQHU-MRXNPFEDSA-N 2 1 342.487 3.116 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000120002447 454245529 /nfs/dbraw/zinc/24/55/29/454245529.db2.gz ZTGNKTGXLZNURJ-IOASZLSFSA-N 2 1 330.394 3.446 20 0 EGADMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000191059652 455434313 /nfs/dbraw/zinc/43/43/13/455434313.db2.gz FFJCIDNJYORGTB-UWHLTILDSA-N 2 1 333.564 3.469 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCSCc3ccccc3)C2)CC1 ZINC000090529709 454316717 /nfs/dbraw/zinc/31/67/17/454316717.db2.gz OAKPHGJXONDQRR-HXUWFJFHSA-N 2 1 347.572 3.022 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CCC[N@@H+](CC(C)C)C3)c(C)n2n1 ZINC000090586728 454323938 /nfs/dbraw/zinc/32/39/38/454323938.db2.gz UJUJVTIGSLMVNV-WMZOPIPTSA-N 2 1 343.519 3.365 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CCC[N@H+](CC(C)C)C3)c(C)n2n1 ZINC000090586728 454323940 /nfs/dbraw/zinc/32/39/40/454323940.db2.gz UJUJVTIGSLMVNV-WMZOPIPTSA-N 2 1 343.519 3.365 20 0 EGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000120807233 454349740 /nfs/dbraw/zinc/34/97/40/454349740.db2.gz HSXGEYYMYSHNCU-KRWDZBQOSA-N 2 1 325.456 3.092 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000120807233 454349745 /nfs/dbraw/zinc/34/97/45/454349745.db2.gz HSXGEYYMYSHNCU-KRWDZBQOSA-N 2 1 325.456 3.092 20 0 EGADMP COc1cccc(C[C@@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C2CC2)c1 ZINC000121274587 454415052 /nfs/dbraw/zinc/41/50/52/454415052.db2.gz FHHNWICPCHUEAY-MGPUTAFESA-N 2 1 327.472 3.447 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]C3CC[NH+](C4CCCC4)CC3)c(C)n2n1 ZINC000091733366 454463484 /nfs/dbraw/zinc/46/34/84/454463484.db2.gz WIGQXSRSZJWSJZ-HNNXBMFYSA-N 2 1 341.503 3.404 20 0 EGADMP c1cnn(-c2cccc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c2)c1 ZINC000092066186 454511725 /nfs/dbraw/zinc/51/17/25/454511725.db2.gz LXQDOXXOFSXPBX-NQIIRXRSSA-N 2 1 336.483 3.321 20 0 EGADMP c1cnn(-c2cccc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2)c1 ZINC000092066186 454511728 /nfs/dbraw/zinc/51/17/28/454511728.db2.gz LXQDOXXOFSXPBX-NQIIRXRSSA-N 2 1 336.483 3.321 20 0 EGADMP c1cnn(-c2cccc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2)c1 ZINC000092066186 454511735 /nfs/dbraw/zinc/51/17/35/454511735.db2.gz LXQDOXXOFSXPBX-NQIIRXRSSA-N 2 1 336.483 3.321 20 0 EGADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000092066508 454512491 /nfs/dbraw/zinc/51/24/91/454512491.db2.gz HSDMHQLZJPRTSS-YLJYHZDGSA-N 2 1 327.472 3.094 20 0 EGADMP CC(=O)Nc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000092066508 454512496 /nfs/dbraw/zinc/51/24/96/454512496.db2.gz HSDMHQLZJPRTSS-YLJYHZDGSA-N 2 1 327.472 3.094 20 0 EGADMP CC(=O)Nc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000092066508 454512500 /nfs/dbraw/zinc/51/25/00/454512500.db2.gz HSDMHQLZJPRTSS-YLJYHZDGSA-N 2 1 327.472 3.094 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000122454697 454535456 /nfs/dbraw/zinc/53/54/56/454535456.db2.gz IHKNWSJFQVNVNR-CLCXKQKWSA-N 2 1 329.488 3.244 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000122454697 454535460 /nfs/dbraw/zinc/53/54/60/454535460.db2.gz IHKNWSJFQVNVNR-CLCXKQKWSA-N 2 1 329.488 3.244 20 0 EGADMP Cc1ccc([C@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[NH+](C)C)cc1 ZINC000074249041 454550198 /nfs/dbraw/zinc/55/01/98/454550198.db2.gz VDVKZAZAZCRAFJ-SFHVURJKSA-N 2 1 342.487 3.124 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000122877716 454577778 /nfs/dbraw/zinc/57/77/78/454577778.db2.gz POTIHIUJZONHNA-INMHGKMJSA-N 2 1 332.488 3.054 20 0 EGADMP CCOCC[N@@H+](CC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000092537817 454583186 /nfs/dbraw/zinc/58/31/86/454583186.db2.gz ALLYPGSBQGOVID-UHFFFAOYSA-N 2 1 333.520 3.075 20 0 EGADMP O=C(CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000134908277 454607439 /nfs/dbraw/zinc/60/74/39/454607439.db2.gz OTJWXZLDHHOGOV-KDOFPFPSSA-N 2 1 347.890 3.227 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000104946954 454610714 /nfs/dbraw/zinc/61/07/14/454610714.db2.gz JJQGSDSHGZTLCC-QHCPKHFHSA-N 2 1 336.545 3.238 20 0 EGADMP CSc1cccc(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123179438 454611972 /nfs/dbraw/zinc/61/19/72/454611972.db2.gz RTBJKKQTHDXTGU-UHFFFAOYSA-N 2 1 349.544 3.401 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1CNc1cncc(-n2cc[nH+]c2C)n1 ZINC000092893103 454652023 /nfs/dbraw/zinc/65/20/23/454652023.db2.gz VKOZNAVYILATKP-MRXNPFEDSA-N 2 1 328.464 3.037 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNc1cncc(-n2cc[nH+]c2C)n1 ZINC000092893103 454652027 /nfs/dbraw/zinc/65/20/27/454652027.db2.gz VKOZNAVYILATKP-MRXNPFEDSA-N 2 1 328.464 3.037 20 0 EGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000135255202 454653575 /nfs/dbraw/zinc/65/35/75/454653575.db2.gz YBYWJVXQSSDFAP-RDJZCZTQSA-N 2 1 338.467 3.376 20 0 EGADMP C[N@H+](CCCO)C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000093412859 454713000 /nfs/dbraw/zinc/71/30/00/454713000.db2.gz YJCHFOBWVWWTLB-UHFFFAOYSA-N 2 1 339.483 3.027 20 0 EGADMP C[N@@H+](CCCO)C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000093412859 454713004 /nfs/dbraw/zinc/71/30/04/454713004.db2.gz YJCHFOBWVWWTLB-UHFFFAOYSA-N 2 1 339.483 3.027 20 0 EGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(F)c(F)c(F)c1 ZINC000124419880 454730334 /nfs/dbraw/zinc/73/03/34/454730334.db2.gz QZBPFELKQZHELJ-ZDUSSCGKSA-N 2 1 343.437 3.028 20 0 EGADMP Cc1nc(C)c([C@H](C)N(C)C[C@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000106936576 454733035 /nfs/dbraw/zinc/73/30/35/454733035.db2.gz NXGGPEBJINRKAA-MAUKXSAKSA-N 2 1 347.528 3.246 20 0 EGADMP Cc1nc(C)c([C@H](C)[N@H+](C)C[C@H](O)CN(C)Cc2ccccc2)s1 ZINC000106936576 454733039 /nfs/dbraw/zinc/73/30/39/454733039.db2.gz NXGGPEBJINRKAA-MAUKXSAKSA-N 2 1 347.528 3.246 20 0 EGADMP Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@H](O)CN(C)Cc2ccccc2)s1 ZINC000106936576 454733045 /nfs/dbraw/zinc/73/30/45/454733045.db2.gz NXGGPEBJINRKAA-MAUKXSAKSA-N 2 1 347.528 3.246 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000093770598 454735118 /nfs/dbraw/zinc/73/51/18/454735118.db2.gz ZTYXZSULECEKMW-QGZVFWFLSA-N 2 1 344.478 3.402 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000093770598 454735120 /nfs/dbraw/zinc/73/51/20/454735120.db2.gz ZTYXZSULECEKMW-QGZVFWFLSA-N 2 1 344.478 3.402 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000093770598 454735123 /nfs/dbraw/zinc/73/51/23/454735123.db2.gz ZTYXZSULECEKMW-QGZVFWFLSA-N 2 1 344.478 3.402 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000093770598 454735125 /nfs/dbraw/zinc/73/51/25/454735125.db2.gz ZTYXZSULECEKMW-QGZVFWFLSA-N 2 1 344.478 3.402 20 0 EGADMP CSc1ccccc1NC(=O)[C@@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139811120 454811457 /nfs/dbraw/zinc/81/14/57/454811457.db2.gz UXFFNSKHFAKTJC-BFYDXBDKSA-N 2 1 347.528 3.152 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000125443802 454822202 /nfs/dbraw/zinc/82/22/02/454822202.db2.gz FLLKUIUIVMYJNB-FQEVSTJZSA-N 2 1 327.472 3.417 20 0 EGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000177314237 454850458 /nfs/dbraw/zinc/85/04/58/454850458.db2.gz ZCIHUEODXCSRKU-UHFFFAOYSA-N 2 1 328.460 3.405 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000164586087 454884963 /nfs/dbraw/zinc/88/49/63/454884963.db2.gz YQNOZQDEJLZMMJ-CYBMUJFWSA-N 2 1 349.866 3.027 20 0 EGADMP COc1cc2[nH]c(CCC[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2c(OC)c1 ZINC000166334428 454910322 /nfs/dbraw/zinc/91/03/22/454910322.db2.gz AKERXEOFJNSKQV-HUUCEWRRSA-N 2 1 345.487 3.190 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@H]2c2ccc(C)o2)CC1 ZINC000151198403 454952234 /nfs/dbraw/zinc/95/22/34/454952234.db2.gz MHARVKXAMUUKOM-SFHVURJKSA-N 2 1 347.503 3.106 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(-c2ccncc2)c1 ZINC000151349729 454973203 /nfs/dbraw/zinc/97/32/03/454973203.db2.gz JDBHGRSHCUVLBC-LAUBAEHRSA-N 2 1 339.483 3.246 20 0 EGADMP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)o1 ZINC000115617229 455022671 /nfs/dbraw/zinc/02/26/71/455022671.db2.gz FKTQRQVZBGOFJP-MRXNPFEDSA-N 2 1 345.462 3.120 20 0 EGADMP CC(C)[C@H](C[NH2+]Cc1ccc(-c2ccccc2)o1)N1CC[NH+](C)CC1 ZINC000128591202 455070723 /nfs/dbraw/zinc/07/07/23/455070723.db2.gz JPGPDXXNMKQWMJ-FQEVSTJZSA-N 2 1 341.499 3.308 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000128597264 455071124 /nfs/dbraw/zinc/07/11/24/455071124.db2.gz WFYVDJVGQRXKOK-UHFFFAOYSA-N 2 1 339.483 3.000 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000129266969 455103754 /nfs/dbraw/zinc/10/37/54/455103754.db2.gz UVWVDUPHZSHFLS-BBWFWOEESA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000129266969 455103758 /nfs/dbraw/zinc/10/37/58/455103758.db2.gz UVWVDUPHZSHFLS-BBWFWOEESA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000129266969 455103760 /nfs/dbraw/zinc/10/37/60/455103760.db2.gz UVWVDUPHZSHFLS-BBWFWOEESA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129280354 455104458 /nfs/dbraw/zinc/10/44/58/455104458.db2.gz NESNMIKPUJGJIH-HZPDHXFCSA-N 2 1 335.458 3.115 20 0 EGADMP CCCN(Cc1ccc(C)cc1)C(=O)CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152358517 455107172 /nfs/dbraw/zinc/10/71/72/455107172.db2.gz UEXTZYLHZLCAMV-HXUWFJFHSA-N 2 1 345.531 3.007 20 0 EGADMP Clc1ccc(CN2CCC([NH2+]C[C@H]3CCN(C4CC4)C3)CC2)cc1 ZINC000152438959 455119727 /nfs/dbraw/zinc/11/97/27/455119727.db2.gz ATJOAFQZAWYOFD-QGZVFWFLSA-N 3 1 347.934 3.378 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000180110927 455133725 /nfs/dbraw/zinc/13/37/25/455133725.db2.gz ALQNCKGPRGIFJG-GHTZIAJQSA-N 2 1 329.532 3.236 20 0 EGADMP CC(C)N1CCC([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000180403776 455164356 /nfs/dbraw/zinc/16/43/56/455164356.db2.gz KIKNXJKZODOFAY-KRWDZBQOSA-N 2 1 333.520 3.150 20 0 EGADMP CC(C)[NH+]1CCC(N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000180403776 455164358 /nfs/dbraw/zinc/16/43/58/455164358.db2.gz KIKNXJKZODOFAY-KRWDZBQOSA-N 2 1 333.520 3.150 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000264018461 455184442 /nfs/dbraw/zinc/18/44/42/455184442.db2.gz IJCULJYCJGDWMQ-QGZVFWFLSA-N 2 1 331.504 3.105 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180524550 455189327 /nfs/dbraw/zinc/18/93/27/455189327.db2.gz SFVOSHCENQJRQN-QGZVFWFLSA-N 2 1 326.488 3.251 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180524550 455189329 /nfs/dbraw/zinc/18/93/29/455189329.db2.gz SFVOSHCENQJRQN-QGZVFWFLSA-N 2 1 326.488 3.251 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180524550 455189335 /nfs/dbraw/zinc/18/93/35/455189335.db2.gz SFVOSHCENQJRQN-QGZVFWFLSA-N 2 1 326.488 3.251 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180524550 455189337 /nfs/dbraw/zinc/18/93/37/455189337.db2.gz SFVOSHCENQJRQN-QGZVFWFLSA-N 2 1 326.488 3.251 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCOC[C@H]2CCOC2)cc1 ZINC000158215769 455281284 /nfs/dbraw/zinc/28/12/84/455281284.db2.gz OIYDDYSSNROQFB-SJLPKXTDSA-N 2 1 343.471 3.275 20 0 EGADMP CCOc1ccc(NC(=O)[C@@H](C)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000173634327 455320258 /nfs/dbraw/zinc/32/02/58/455320258.db2.gz DQVWDSAESJXTFB-AEFFLSMTSA-N 2 1 347.503 3.219 20 0 EGADMP C[C@H]1CCCN1C(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158977676 455342510 /nfs/dbraw/zinc/34/25/10/455342510.db2.gz DAFZFGGPVLPMCJ-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP CCC[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1)c1ccccc1 ZINC000245649829 455348011 /nfs/dbraw/zinc/34/80/11/455348011.db2.gz HAMLVPAWUCXOHU-NHCUHLMSSA-N 2 1 329.532 3.282 20 0 EGADMP CCc1ccc2c(C[NH2+]C3CC[NH+](C(C)C)CC3)cc(=O)oc2c1 ZINC000181529562 455350385 /nfs/dbraw/zinc/35/03/85/455350385.db2.gz QPLKDZHWUAEWDE-UHFFFAOYSA-N 2 1 328.456 3.318 20 0 EGADMP Cc1cc(C)n(CC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000265658809 455357591 /nfs/dbraw/zinc/35/75/91/455357591.db2.gz RLNRKGSSNBWLJC-WIYYLYMNSA-N 2 1 340.515 3.485 20 0 EGADMP Cc1cc(C)n(CC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000265658809 455357594 /nfs/dbraw/zinc/35/75/94/455357594.db2.gz RLNRKGSSNBWLJC-WIYYLYMNSA-N 2 1 340.515 3.485 20 0 EGADMP Cc1cc(C)n(CC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000265658809 455357597 /nfs/dbraw/zinc/35/75/97/455357597.db2.gz RLNRKGSSNBWLJC-WIYYLYMNSA-N 2 1 340.515 3.485 20 0 EGADMP Cc1cc(C)n(CC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000265658809 455357600 /nfs/dbraw/zinc/35/76/00/455357600.db2.gz RLNRKGSSNBWLJC-WIYYLYMNSA-N 2 1 340.515 3.485 20 0 EGADMP C[C@H](C(=O)N1CCCCC1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000246104789 455427805 /nfs/dbraw/zinc/42/78/05/455427805.db2.gz WVLCJDLJOSBIAG-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000246149521 455437005 /nfs/dbraw/zinc/43/70/05/455437005.db2.gz BWIYZXTYWKCMNP-HLIPFELVSA-N 2 1 326.488 3.253 20 0 EGADMP CC[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C)C1CC1 ZINC000246198221 455446318 /nfs/dbraw/zinc/44/63/18/455446318.db2.gz AMEYPZSHLDFGMD-QGZVFWFLSA-N 2 1 343.515 3.162 20 0 EGADMP CC[NH+](CC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000246198221 455446323 /nfs/dbraw/zinc/44/63/23/455446323.db2.gz AMEYPZSHLDFGMD-QGZVFWFLSA-N 2 1 343.515 3.162 20 0 EGADMP CC[NH+](CC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000246198221 455446326 /nfs/dbraw/zinc/44/63/26/455446326.db2.gz AMEYPZSHLDFGMD-QGZVFWFLSA-N 2 1 343.515 3.162 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)C1 ZINC000246285288 455463476 /nfs/dbraw/zinc/46/34/76/455463476.db2.gz BWQQTYGMJSXIJM-SEPYTNNBSA-N 2 1 336.545 3.443 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000246314049 455469545 /nfs/dbraw/zinc/46/95/45/455469545.db2.gz DVVCLHLKTDBPQZ-FCEWJHQRSA-N 2 1 331.504 3.491 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000246314049 455469548 /nfs/dbraw/zinc/46/95/48/455469548.db2.gz DVVCLHLKTDBPQZ-FCEWJHQRSA-N 2 1 331.504 3.491 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191256215 455472216 /nfs/dbraw/zinc/47/22/16/455472216.db2.gz XSFSQLZQFKQJCC-HNNXBMFYSA-N 2 1 336.524 3.098 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000191505527 455492146 /nfs/dbraw/zinc/49/21/46/455492146.db2.gz VAVUKSNBCJEESH-FGTMMUONSA-N 2 1 348.535 3.051 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000191505527 455492149 /nfs/dbraw/zinc/49/21/49/455492149.db2.gz VAVUKSNBCJEESH-FGTMMUONSA-N 2 1 348.535 3.051 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000246823517 455527381 /nfs/dbraw/zinc/52/73/81/455527381.db2.gz CJFRHPCFZKCOCY-IXDOHACOSA-N 2 1 339.524 3.001 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247115888 455561983 /nfs/dbraw/zinc/56/19/83/455561983.db2.gz AGOLLZQMUDGETH-AABGKKOBSA-N 2 1 343.515 3.012 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247115888 455561988 /nfs/dbraw/zinc/56/19/88/455561988.db2.gz AGOLLZQMUDGETH-AABGKKOBSA-N 2 1 343.515 3.012 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247115888 455561992 /nfs/dbraw/zinc/56/19/92/455561992.db2.gz AGOLLZQMUDGETH-AABGKKOBSA-N 2 1 343.515 3.012 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247115888 455561995 /nfs/dbraw/zinc/56/19/95/455561995.db2.gz AGOLLZQMUDGETH-AABGKKOBSA-N 2 1 343.515 3.012 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247115888 455562000 /nfs/dbraw/zinc/56/20/00/455562000.db2.gz AGOLLZQMUDGETH-AABGKKOBSA-N 2 1 343.515 3.012 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000247188587 455570068 /nfs/dbraw/zinc/57/00/68/455570068.db2.gz ZUAGGKGEYDPUKJ-RTWAWAEBSA-N 2 1 329.532 3.015 20 0 EGADMP Cc1nc(C)c(C)c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC000192227030 455577606 /nfs/dbraw/zinc/57/76/06/455577606.db2.gz MCSSURPWIBDLQO-LJQANCHMSA-N 2 1 340.471 3.105 20 0 EGADMP Cc1ccccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185679181 455594311 /nfs/dbraw/zinc/59/43/11/455594311.db2.gz NOYOJODYPRNYDN-SJORKVTESA-N 2 1 329.488 3.176 20 0 EGADMP Cc1ccccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185679181 455594313 /nfs/dbraw/zinc/59/43/13/455594313.db2.gz NOYOJODYPRNYDN-SJORKVTESA-N 2 1 329.488 3.176 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000185712345 455603381 /nfs/dbraw/zinc/60/33/81/455603381.db2.gz NDDABHOBQXAIPM-QZTJIDSGSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000185712345 455603385 /nfs/dbraw/zinc/60/33/85/455603385.db2.gz NDDABHOBQXAIPM-QZTJIDSGSA-N 2 1 343.515 3.485 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185736552 455609862 /nfs/dbraw/zinc/60/98/62/455609862.db2.gz GNDSWRNADNYRCI-IKGGRYGDSA-N 2 1 329.488 3.256 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185736552 455609865 /nfs/dbraw/zinc/60/98/65/455609865.db2.gz GNDSWRNADNYRCI-IKGGRYGDSA-N 2 1 329.488 3.256 20 0 EGADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000292267423 455613696 /nfs/dbraw/zinc/61/36/96/455613696.db2.gz TZIPRZRPHDXOOU-MRXNPFEDSA-N 2 1 331.504 3.304 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3c(O)cccc32)[C@@H](C)C1 ZINC000283939863 455614687 /nfs/dbraw/zinc/61/46/87/455614687.db2.gz FJCFFDZMFRUWLT-FFZOFVMBSA-N 2 1 346.515 3.496 20 0 EGADMP COC(=O)C1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000192439095 455616257 /nfs/dbraw/zinc/61/62/57/455616257.db2.gz VTLPIMIBUTUWTJ-UHFFFAOYSA-N 2 1 344.499 3.015 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(C(F)(F)F)c2)CCCO1 ZINC000277640181 455621530 /nfs/dbraw/zinc/62/15/30/455621530.db2.gz CUGNMORXGVJPNO-AWEZNQCLSA-N 2 1 330.394 3.296 20 0 EGADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000247557852 455624466 /nfs/dbraw/zinc/62/44/66/455624466.db2.gz UJZIDXJHEQDXRV-MWDXBVQZSA-N 2 1 325.541 3.026 20 0 EGADMP C[C@H](c1nc(Cc2ccccc2)no1)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247973584 455663237 /nfs/dbraw/zinc/66/32/37/455663237.db2.gz HNYGBNGLKWSOFF-NJAFHUGGSA-N 2 1 340.471 3.138 20 0 EGADMP CCOc1cc(CCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1OC ZINC000247989510 455666628 /nfs/dbraw/zinc/66/66/28/455666628.db2.gz JEQCJUONHGWZOG-SOLBZPMBSA-N 2 1 334.504 3.345 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000247999850 455668203 /nfs/dbraw/zinc/66/82/03/455668203.db2.gz KGODOHXWDQUZNY-ZCNNSNEGSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000248006794 455669770 /nfs/dbraw/zinc/66/97/70/455669770.db2.gz KXBDFCBNXIZTEK-GUXCAODWSA-N 2 1 334.479 3.276 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3oc(C(=O)OCC)c(C)c32)C1 ZINC000192720861 455678659 /nfs/dbraw/zinc/67/86/59/455678659.db2.gz SPZQEZYGKKQPIM-HZPDHXFCSA-N 2 1 348.487 3.464 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3oc(C(=O)OCC)c(C)c32)C1 ZINC000192720861 455678663 /nfs/dbraw/zinc/67/86/63/455678663.db2.gz SPZQEZYGKKQPIM-HZPDHXFCSA-N 2 1 348.487 3.464 20 0 EGADMP O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000268751096 455712643 /nfs/dbraw/zinc/71/26/43/455712643.db2.gz CJMMVYGSYPIJOF-ADZOXNECSA-N 2 1 339.483 3.036 20 0 EGADMP O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)CC2 ZINC000268751096 455712648 /nfs/dbraw/zinc/71/26/48/455712648.db2.gz CJMMVYGSYPIJOF-ADZOXNECSA-N 2 1 339.483 3.036 20 0 EGADMP COc1ccccc1C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C(C)C ZINC000268905475 455725557 /nfs/dbraw/zinc/72/55/57/455725557.db2.gz LVACEYREBDMYTO-VQTJNVASSA-N 2 1 348.531 3.089 20 0 EGADMP COc1ccccc1C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C(C)C ZINC000268905476 455725848 /nfs/dbraw/zinc/72/58/48/455725848.db2.gz LVACEYREBDMYTO-WOJBJXKFSA-N 2 1 348.531 3.089 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCN(C)CC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000268914732 455727851 /nfs/dbraw/zinc/72/78/51/455727851.db2.gz NMFQZPGFKKQMCQ-RDJZCZTQSA-N 2 1 343.437 3.123 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCN(C)CC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000268914732 455727856 /nfs/dbraw/zinc/72/78/56/455727856.db2.gz NMFQZPGFKKQMCQ-RDJZCZTQSA-N 2 1 343.437 3.123 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000268995726 455757815 /nfs/dbraw/zinc/75/78/15/455757815.db2.gz IIKSZIGSEHGANT-ATZDWAIDSA-N 2 1 330.497 3.424 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000268995726 455757819 /nfs/dbraw/zinc/75/78/19/455757819.db2.gz IIKSZIGSEHGANT-ATZDWAIDSA-N 2 1 330.497 3.424 20 0 EGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249867887 455780013 /nfs/dbraw/zinc/78/00/13/455780013.db2.gz IPPHRCPTLLYIDI-FGTMMUONSA-N 2 1 343.515 3.029 20 0 EGADMP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000249881350 455781041 /nfs/dbraw/zinc/78/10/41/455781041.db2.gz HQDJUGKPKBDFJR-KNOXWWKRSA-N 2 1 342.527 3.428 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCOCC(F)F)CC1 ZINC000285126148 455793227 /nfs/dbraw/zinc/79/32/27/455793227.db2.gz LFPRAOFGKQSZBC-UHFFFAOYSA-N 2 1 326.431 3.301 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000271876813 455795535 /nfs/dbraw/zinc/79/55/35/455795535.db2.gz OGLRZKCINGMPNA-QGZVFWFLSA-N 2 1 335.289 3.158 20 0 EGADMP C[C@H]1C[C@@H](NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC[N@H+]1C ZINC000186570078 455795746 /nfs/dbraw/zinc/79/57/46/455795746.db2.gz GAQWAEWRBQVARI-JQFCIGGWSA-N 2 1 343.437 3.380 20 0 EGADMP C[N@H+](C[C@H](O)c1ccc(F)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285493242 455857278 /nfs/dbraw/zinc/85/72/78/455857278.db2.gz MGCIOUYUFSSMMD-CKQIIDDLSA-N 2 1 326.843 3.070 20 0 EGADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285493242 455857281 /nfs/dbraw/zinc/85/72/81/455857281.db2.gz MGCIOUYUFSSMMD-CKQIIDDLSA-N 2 1 326.843 3.070 20 0 EGADMP C[NH+](C[C@H](O)c1ccc(F)cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285493242 455857285 /nfs/dbraw/zinc/85/72/85/455857285.db2.gz MGCIOUYUFSSMMD-CKQIIDDLSA-N 2 1 326.843 3.070 20 0 EGADMP C[NH+](C[C@H](O)c1ccc(F)cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285493242 455857288 /nfs/dbraw/zinc/85/72/88/455857288.db2.gz MGCIOUYUFSSMMD-CKQIIDDLSA-N 2 1 326.843 3.070 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4CCOCC4)[C@H]3C2)cc1 ZINC000285506412 455860516 /nfs/dbraw/zinc/86/05/16/455860516.db2.gz ALIYATOSSHTNKY-JBACZVJFSA-N 2 1 328.500 3.446 20 0 EGADMP CC(C)CO[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@H](OCC(C)C)C2)C1 ZINC000255696504 455872579 /nfs/dbraw/zinc/87/25/79/455872579.db2.gz FWMYYBYNFJGQAI-GGJLBNBESA-N 2 1 338.536 3.036 20 0 EGADMP CC(C)CO[C@@H]1CC[N@@H+](C/C=C\C[NH+]2CC[C@H](OCC(C)C)C2)C1 ZINC000255696504 455872583 /nfs/dbraw/zinc/87/25/83/455872583.db2.gz FWMYYBYNFJGQAI-GGJLBNBESA-N 2 1 338.536 3.036 20 0 EGADMP CC(C)CO[C@@H]1CC[N@H+](C/C=C\C[NH+]2CC[C@H](OCC(C)C)C2)C1 ZINC000255696504 455872586 /nfs/dbraw/zinc/87/25/86/455872586.db2.gz FWMYYBYNFJGQAI-GGJLBNBESA-N 2 1 338.536 3.036 20 0 EGADMP C[N@@H+](CCOCC[NH3+])Cc1cc(Cl)ccc1OC1CCCC1 ZINC000629665549 460855587 /nfs/dbraw/zinc/85/55/87/460855587.db2.gz WTUOTLPIZWKOHC-UHFFFAOYSA-N 2 1 326.868 3.069 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1OC ZINC000285728731 455905243 /nfs/dbraw/zinc/90/52/43/455905243.db2.gz QNYACNMRCXYAHP-CQSZACIVSA-N 2 1 332.488 3.160 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OC(F)F ZINC000261600214 455910277 /nfs/dbraw/zinc/91/02/77/455910277.db2.gz AZXGMHXUSDCFTN-ZNMIVQPWSA-N 2 1 340.414 3.246 20 0 EGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261646312 455920625 /nfs/dbraw/zinc/92/06/25/455920625.db2.gz ASTOYFSNNRAPMZ-LBPRGKRZSA-N 2 1 338.377 3.266 20 0 EGADMP COc1cccc([C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)N(C)C)c1 ZINC000261701832 455931290 /nfs/dbraw/zinc/93/12/90/455931290.db2.gz OTOFFZBCPOZQKD-AQNXPRMDSA-N 2 1 325.456 3.032 20 0 EGADMP C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272380763 455932657 /nfs/dbraw/zinc/93/26/57/455932657.db2.gz WHGODXSAIBMDMA-QRFRQXIXSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000261729125 455937013 /nfs/dbraw/zinc/93/70/13/455937013.db2.gz KSZXDHYDUGUBLQ-BTHPGYMESA-N 2 1 343.515 3.015 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc1 ZINC000261815456 455953233 /nfs/dbraw/zinc/95/32/33/455953233.db2.gz NRRPARNDSYUPLK-LPHOPBHVSA-N 2 1 331.504 3.118 20 0 EGADMP COCC1CCC([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000296550475 455971360 /nfs/dbraw/zinc/97/13/60/455971360.db2.gz UKVRZYAJNHNOEX-MPQSDHOMSA-N 2 1 346.515 3.202 20 0 EGADMP COCC1CCC([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000296550475 455971364 /nfs/dbraw/zinc/97/13/64/455971364.db2.gz UKVRZYAJNHNOEX-MPQSDHOMSA-N 2 1 346.515 3.202 20 0 EGADMP Clc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1Cl ZINC000262010225 455985471 /nfs/dbraw/zinc/98/54/71/455985471.db2.gz VLIYNYBMVBIVLA-NUEKZKHPSA-N 2 1 343.298 3.283 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CN(c4ccnc5ccncc54)C[C@H]3C2)cc1 ZINC000280522723 455989212 /nfs/dbraw/zinc/98/92/12/455989212.db2.gz QXOPOMBBSKCHQW-HDICACEKSA-N 2 1 330.435 3.198 20 0 EGADMP OC1CC[NH+](CCC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272563371 455995743 /nfs/dbraw/zinc/99/57/43/455995743.db2.gz SGJSDHVPAUNWJJ-IBGZPJMESA-N 2 1 332.463 3.198 20 0 EGADMP Cc1ccc(-c2cccc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)c2)cc1 ZINC000262150123 456004111 /nfs/dbraw/zinc/00/41/11/456004111.db2.gz RCGKTJCTSCJSQQ-QFIPXVFZSA-N 2 1 335.495 3.142 20 0 EGADMP Cc1nccn1CCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272601945 456009715 /nfs/dbraw/zinc/00/97/15/456009715.db2.gz YNSULFFINOZLFR-FXAWDEMLSA-N 2 1 326.488 3.082 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272601945 456009718 /nfs/dbraw/zinc/00/97/18/456009718.db2.gz YNSULFFINOZLFR-FXAWDEMLSA-N 3 1 326.488 3.082 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272601945 456009721 /nfs/dbraw/zinc/00/97/21/456009721.db2.gz YNSULFFINOZLFR-FXAWDEMLSA-N 3 1 326.488 3.082 20 0 EGADMP COC1CCC([N@@H+](C)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000286269691 456012795 /nfs/dbraw/zinc/01/27/95/456012795.db2.gz DYVVIQBEASUJHC-UHFFFAOYSA-N 2 1 345.531 3.088 20 0 EGADMP C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000262415570 456034165 /nfs/dbraw/zinc/03/41/65/456034165.db2.gz DNBULXPCEYADRV-GFCCVEGCSA-N 2 1 344.286 3.396 20 0 EGADMP Clc1c2ccccc2sc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262455174 456037836 /nfs/dbraw/zinc/03/78/36/456037836.db2.gz ICWVSTOXVAPYTH-ZDUSSCGKSA-N 2 1 335.904 3.034 20 0 EGADMP CC1CCN(C(=[NH2+])NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000262652828 456051477 /nfs/dbraw/zinc/05/14/77/456051477.db2.gz JWKPYGWPHQOLGH-WBVHZDCISA-N 2 1 334.533 3.387 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000280816956 456058656 /nfs/dbraw/zinc/05/86/56/456058656.db2.gz IOIKMXLEZAIETO-SJLPKXTDSA-N 2 1 332.488 3.218 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000280816956 456058659 /nfs/dbraw/zinc/05/86/59/456058659.db2.gz IOIKMXLEZAIETO-SJLPKXTDSA-N 2 1 332.488 3.218 20 0 EGADMP CC(C)OCC[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301422295 456111343 /nfs/dbraw/zinc/11/13/43/456111343.db2.gz FTDVVOAWXNGPJB-UHFFFAOYSA-N 2 1 333.863 3.435 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)ccc3Br)C[C@H]21 ZINC000228476701 456122809 /nfs/dbraw/zinc/12/28/09/456122809.db2.gz GZOWVNBQQJGZDD-WDBKCZKBSA-N 2 1 327.241 3.147 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3Br)C[C@H]21 ZINC000228476701 456122817 /nfs/dbraw/zinc/12/28/17/456122817.db2.gz GZOWVNBQQJGZDD-WDBKCZKBSA-N 2 1 327.241 3.147 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000624121692 460869278 /nfs/dbraw/zinc/86/92/78/460869278.db2.gz BBIOELVFPVPLRA-ZFWWWQNUSA-N 2 1 325.522 3.023 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000236938438 456206258 /nfs/dbraw/zinc/20/62/58/456206258.db2.gz HTDAKOWFQZINSI-KZNAEPCWSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000290099371 456239655 /nfs/dbraw/zinc/23/96/55/456239655.db2.gz HWZRFKPYCLLQND-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000290099371 456239658 /nfs/dbraw/zinc/23/96/58/456239658.db2.gz HWZRFKPYCLLQND-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000290099371 456239662 /nfs/dbraw/zinc/23/96/62/456239662.db2.gz HWZRFKPYCLLQND-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000290099371 456239667 /nfs/dbraw/zinc/23/96/67/456239667.db2.gz HWZRFKPYCLLQND-NRSPTQNISA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000290099371 456239668 /nfs/dbraw/zinc/23/96/68/456239668.db2.gz HWZRFKPYCLLQND-NRSPTQNISA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000290099371 456239673 /nfs/dbraw/zinc/23/96/73/456239673.db2.gz HWZRFKPYCLLQND-NRSPTQNISA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000290099371 456239677 /nfs/dbraw/zinc/23/96/77/456239677.db2.gz HWZRFKPYCLLQND-NRSPTQNISA-N 3 1 329.532 3.361 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281630980 456279091 /nfs/dbraw/zinc/27/90/91/456279091.db2.gz OHCZGLWNPIAKNF-VAMGGRTRSA-N 2 1 347.478 3.029 20 0 EGADMP COCCCOc1cc(C)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297757259 456289185 /nfs/dbraw/zinc/28/91/85/456289185.db2.gz URKZOKDJEQTQPQ-UHFFFAOYSA-N 2 1 332.488 3.127 20 0 EGADMP CC(C)[C@@H](CNCc1ncc(C[NH+](C)C)s1)[NH+]1CCC(C)CC1 ZINC000352777884 456298460 /nfs/dbraw/zinc/29/84/60/456298460.db2.gz CZUXRKSPXFCDTP-QGZVFWFLSA-N 2 1 338.565 3.051 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000347676427 456298776 /nfs/dbraw/zinc/29/87/76/456298776.db2.gz VNABEVXQJHXYGQ-GOSISDBHSA-N 2 1 340.556 3.059 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3ccc(F)cc3F)CC2)s1 ZINC000352783518 456303337 /nfs/dbraw/zinc/30/33/37/456303337.db2.gz CWJGXQBIECDTPH-UHFFFAOYSA-N 2 1 337.439 3.304 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CCn2cnc3ccccc32)C[C@@H]1c1ccccc1 ZINC000340194375 456305908 /nfs/dbraw/zinc/30/59/08/456305908.db2.gz HWUOCLLVRZUTDZ-WIYYLYMNSA-N 2 1 334.467 3.461 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CCn2cnc3ccccc32)C[C@@H]1c1ccccc1 ZINC000340194375 456305913 /nfs/dbraw/zinc/30/59/13/456305913.db2.gz HWUOCLLVRZUTDZ-WIYYLYMNSA-N 2 1 334.467 3.461 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccccc1NC(C)=O ZINC000290379567 456310661 /nfs/dbraw/zinc/31/06/61/456310661.db2.gz HZZFEGJTQXOODK-UHFFFAOYSA-N 2 1 328.460 3.316 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccccc1NC(C)=O ZINC000290379567 456310668 /nfs/dbraw/zinc/31/06/68/456310668.db2.gz HZZFEGJTQXOODK-UHFFFAOYSA-N 2 1 328.460 3.316 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000290416361 456322309 /nfs/dbraw/zinc/32/23/09/456322309.db2.gz KJVWLOPVEUBVCW-PKOBYXMFSA-N 2 1 338.455 3.185 20 0 EGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000290416361 456322312 /nfs/dbraw/zinc/32/23/12/456322312.db2.gz KJVWLOPVEUBVCW-PKOBYXMFSA-N 2 1 338.455 3.185 20 0 EGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000290416361 456322315 /nfs/dbraw/zinc/32/23/15/456322315.db2.gz KJVWLOPVEUBVCW-PKOBYXMFSA-N 2 1 338.455 3.185 20 0 EGADMP c1ccc(OCCCCC[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000275819357 456322986 /nfs/dbraw/zinc/32/29/86/456322986.db2.gz QXWDIUCXPFYODB-UHFFFAOYSA-N 2 1 346.515 3.470 20 0 EGADMP CC1CC[NH+]([C@@H](CNc2cc[nH+]cc2C(N)=O)c2cccs2)CC1 ZINC000302227444 456323524 /nfs/dbraw/zinc/32/35/24/456323524.db2.gz QILDJMMALHKBIW-INIZCTEOSA-N 2 1 344.484 3.127 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccccc2)C[C@H]1C ZINC000342935907 456323907 /nfs/dbraw/zinc/32/39/07/456323907.db2.gz CBSVGIWEKHYOAG-VQIMIIECSA-N 2 1 326.488 3.392 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccccc2)C[C@H]1C ZINC000342935907 456323912 /nfs/dbraw/zinc/32/39/12/456323912.db2.gz CBSVGIWEKHYOAG-VQIMIIECSA-N 2 1 326.488 3.392 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccccc2)C[C@H]1C ZINC000342935907 456323917 /nfs/dbraw/zinc/32/39/17/456323917.db2.gz CBSVGIWEKHYOAG-VQIMIIECSA-N 2 1 326.488 3.392 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccccc2)C[C@H]1C ZINC000342935907 456323923 /nfs/dbraw/zinc/32/39/23/456323923.db2.gz CBSVGIWEKHYOAG-VQIMIIECSA-N 2 1 326.488 3.392 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000340231253 456327198 /nfs/dbraw/zinc/32/71/98/456327198.db2.gz NNWKXAVIJBYSLH-UXPWSPDFSA-N 2 1 326.488 3.253 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-n3cncn3)c2)C[C@H]1c1ccccc1 ZINC000340243577 456335876 /nfs/dbraw/zinc/33/58/76/456335876.db2.gz HHQOZVNDTKIMKI-FPOVZHCZSA-N 2 1 347.466 3.192 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(-n3cncn3)c2)C[C@H]1c1ccccc1 ZINC000340243577 456335887 /nfs/dbraw/zinc/33/58/87/456335887.db2.gz HHQOZVNDTKIMKI-FPOVZHCZSA-N 2 1 347.466 3.192 20 0 EGADMP C[C@@H]([NH2+]Cc1cnc([C@H](C)O)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290471369 456338179 /nfs/dbraw/zinc/33/81/79/456338179.db2.gz UTUBDTIDGHNACI-HLLBOEOZSA-N 2 1 345.512 3.197 20 0 EGADMP C[C@@H]([NH2+]Cc1cnc([C@H](C)O)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290471369 456338185 /nfs/dbraw/zinc/33/81/85/456338185.db2.gz UTUBDTIDGHNACI-HLLBOEOZSA-N 2 1 345.512 3.197 20 0 EGADMP COc1cccc2c(N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)cc(C)[nH+]c12 ZINC000302702437 456379270 /nfs/dbraw/zinc/37/92/70/456379270.db2.gz BKYZVTINCQYKQJ-RDJZCZTQSA-N 2 1 325.456 3.472 20 0 EGADMP COc1cccc2c(N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)cc(C)[nH+]c12 ZINC000302702437 456379274 /nfs/dbraw/zinc/37/92/74/456379274.db2.gz BKYZVTINCQYKQJ-RDJZCZTQSA-N 2 1 325.456 3.472 20 0 EGADMP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340316741 456383209 /nfs/dbraw/zinc/38/32/09/456383209.db2.gz IKVFMHODLKVFEF-PZJWPPBQSA-N 2 1 340.515 3.395 20 0 EGADMP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340316741 456383216 /nfs/dbraw/zinc/38/32/16/456383216.db2.gz IKVFMHODLKVFEF-PZJWPPBQSA-N 2 1 340.515 3.395 20 0 EGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000282191632 456438395 /nfs/dbraw/zinc/43/83/95/456438395.db2.gz NIZTUVQZVYGVKP-YYWHXJBOSA-N 2 1 346.515 3.202 20 0 EGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000282191632 456438402 /nfs/dbraw/zinc/43/84/02/456438402.db2.gz NIZTUVQZVYGVKP-YYWHXJBOSA-N 2 1 346.515 3.202 20 0 EGADMP c1ccc(OCc2ccncc2)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000340415266 456446893 /nfs/dbraw/zinc/44/68/93/456446893.db2.gz JFXYEWRKJKIJAO-WOJBJXKFSA-N 2 1 337.467 3.377 20 0 EGADMP c1ccc(OCc2ccncc2)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000340415266 456446899 /nfs/dbraw/zinc/44/68/99/456446899.db2.gz JFXYEWRKJKIJAO-WOJBJXKFSA-N 2 1 337.467 3.377 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000282257704 456459042 /nfs/dbraw/zinc/45/90/42/456459042.db2.gz QSBTWYOXECNOKV-NHCUHLMSSA-N 2 1 342.527 3.490 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340455057 456469730 /nfs/dbraw/zinc/46/97/30/456469730.db2.gz QSADBAQOOGGQFX-BHYGNILZSA-N 2 1 328.435 3.289 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000298596326 456498533 /nfs/dbraw/zinc/49/85/33/456498533.db2.gz YTVSOTJYFMQHNZ-MOPGFXCFSA-N 2 1 345.531 3.122 20 0 EGADMP Cc1nnc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000282442859 456516544 /nfs/dbraw/zinc/51/65/44/456516544.db2.gz IELHYHBFWGZXMB-ZQIUZPCESA-N 2 1 330.501 3.408 20 0 EGADMP COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000651669015 462296295 /nfs/dbraw/zinc/29/62/95/462296295.db2.gz ABVYFKDCMYMFJC-LJQANCHMSA-N 2 1 334.504 3.060 20 0 EGADMP CC(C)Oc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282513912 456538090 /nfs/dbraw/zinc/53/80/90/456538090.db2.gz ZEGPXWXLDSJNRA-KRWDZBQOSA-N 2 1 333.520 3.150 20 0 EGADMP CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(-n2ccnc2)cc1C ZINC000353179617 456543374 /nfs/dbraw/zinc/54/33/74/456543374.db2.gz JGGZPYRGMWOLEK-GOSISDBHSA-N 2 1 340.471 3.061 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000340583171 456545559 /nfs/dbraw/zinc/54/55/59/456545559.db2.gz ILKMHOGNZKWCCX-CQSZACIVSA-N 2 1 338.224 3.370 20 0 EGADMP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000305764269 456556644 /nfs/dbraw/zinc/55/66/44/456556644.db2.gz BMNWXZMCYOALBP-ZYSHUDEJSA-N 2 1 332.488 3.114 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)N2CCCc3ccccc32)C[C@H]1C ZINC000348254723 456573895 /nfs/dbraw/zinc/57/38/95/456573895.db2.gz FTQJAMGEKCZALA-IEBWSBKVSA-N 2 1 343.515 3.161 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)N2CCCc3ccccc32)C[C@H]1C ZINC000348254723 456573903 /nfs/dbraw/zinc/57/39/03/456573903.db2.gz FTQJAMGEKCZALA-IEBWSBKVSA-N 2 1 343.515 3.161 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)N2CCCc3ccccc32)C[C@H]1C ZINC000348254723 456573910 /nfs/dbraw/zinc/57/39/10/456573910.db2.gz FTQJAMGEKCZALA-IEBWSBKVSA-N 2 1 343.515 3.161 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291247658 456578227 /nfs/dbraw/zinc/57/82/27/456578227.db2.gz VQWKLIBGMJLSPE-PBHICJAKSA-N 2 1 344.421 3.403 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291247658 456578234 /nfs/dbraw/zinc/57/82/34/456578234.db2.gz VQWKLIBGMJLSPE-PBHICJAKSA-N 2 1 344.421 3.403 20 0 EGADMP C[C@@H]([NH2+]CCCOCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310474105 456583933 /nfs/dbraw/zinc/58/39/33/456583933.db2.gz CEPJDEVYIBUTHU-NVXWUHKLSA-N 2 1 344.421 3.456 20 0 EGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000282879078 456654379 /nfs/dbraw/zinc/65/43/79/456654379.db2.gz VPPLVPKJXAFGFZ-ACRUOGEOSA-N 2 1 346.515 3.072 20 0 EGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000282879078 456654385 /nfs/dbraw/zinc/65/43/85/456654385.db2.gz VPPLVPKJXAFGFZ-ACRUOGEOSA-N 2 1 346.515 3.072 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1-n1ccnn1 ZINC000353451751 456698638 /nfs/dbraw/zinc/69/86/38/456698638.db2.gz XUZCVYYFVFCUIE-IRXDYDNUSA-N 2 1 327.476 3.182 20 0 EGADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000353495853 456714715 /nfs/dbraw/zinc/71/47/15/456714715.db2.gz KBIBFLSEHZFEHD-ZBFHGGJFSA-N 2 1 346.393 3.083 20 0 EGADMP C[N@H+](Cc1ccccc1NC(=O)[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000299514728 456715887 /nfs/dbraw/zinc/71/58/87/456715887.db2.gz OUZQGRMDVUDWBR-IBGZPJMESA-N 2 1 329.488 3.484 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000299514728 456715895 /nfs/dbraw/zinc/71/58/95/456715895.db2.gz OUZQGRMDVUDWBR-IBGZPJMESA-N 2 1 329.488 3.484 20 0 EGADMP C[NH+](Cc1ccccc1NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000299514728 456715904 /nfs/dbraw/zinc/71/59/04/456715904.db2.gz OUZQGRMDVUDWBR-IBGZPJMESA-N 2 1 329.488 3.484 20 0 EGADMP C[NH+](Cc1ccccc1NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000299514728 456715910 /nfs/dbraw/zinc/71/59/10/456715910.db2.gz OUZQGRMDVUDWBR-IBGZPJMESA-N 2 1 329.488 3.484 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC000283201538 456735931 /nfs/dbraw/zinc/73/59/31/456735931.db2.gz GKZZUAAGWGESGZ-SFHVURJKSA-N 2 1 333.495 3.031 20 0 EGADMP CC[N@@H+]1C[C@@H](C)[C@H](NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000344186908 456804513 /nfs/dbraw/zinc/80/45/13/456804513.db2.gz FXZMVWHZXQHYOL-WIYYLYMNSA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000344186908 456804520 /nfs/dbraw/zinc/80/45/20/456804520.db2.gz FXZMVWHZXQHYOL-WIYYLYMNSA-N 2 1 329.532 3.348 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000291996916 456823422 /nfs/dbraw/zinc/82/34/22/456823422.db2.gz ALNOZCWMYYLIHJ-APWZRJJASA-N 2 1 331.435 3.478 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC000348830511 456874528 /nfs/dbraw/zinc/87/45/28/456874528.db2.gz FGNKPKGTYQJEOU-GOSISDBHSA-N 2 1 349.906 3.030 20 0 EGADMP COc1ccc2nc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3C)sc2c1 ZINC000353777101 456902479 /nfs/dbraw/zinc/90/24/79/456902479.db2.gz LKEXGFSDPKXQIV-GFCCVEGCSA-N 2 1 330.457 3.236 20 0 EGADMP C[NH+](C)[C@H](CNc1cc[nH+]cc1Br)c1ccsc1 ZINC000341743868 456924639 /nfs/dbraw/zinc/92/46/39/456924639.db2.gz QJEPQXLOUUCZFH-CYBMUJFWSA-N 2 1 326.263 3.042 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2cnn3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC000353882208 456948882 /nfs/dbraw/zinc/94/88/82/456948882.db2.gz QXURGVXGLOSBMJ-YLJYHZDGSA-N 2 1 334.467 3.477 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2cnn3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000353882208 456948885 /nfs/dbraw/zinc/94/88/85/456948885.db2.gz QXURGVXGLOSBMJ-YLJYHZDGSA-N 2 1 334.467 3.477 20 0 EGADMP CC[N@@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000345206307 456967529 /nfs/dbraw/zinc/96/75/29/456967529.db2.gz PEVHIGZWLNZSIE-QUCCMNQESA-N 2 1 332.488 3.208 20 0 EGADMP Cc1ccc2[nH]c(C[NH2+]CCCC[N@H+]3CCC[C@@H]3CO)cc2c1C ZINC000349676045 457013255 /nfs/dbraw/zinc/01/32/55/457013255.db2.gz ZWYQOPZLCXTWPM-GOSISDBHSA-N 2 1 329.488 3.111 20 0 EGADMP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000342080013 457096737 /nfs/dbraw/zinc/09/67/37/457096737.db2.gz FPIRKPCUFGPEPD-XJNFMUPTSA-N 2 1 326.444 3.165 20 0 EGADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000342080013 457096740 /nfs/dbraw/zinc/09/67/40/457096740.db2.gz FPIRKPCUFGPEPD-XJNFMUPTSA-N 2 1 326.444 3.165 20 0 EGADMP [NH3+]CCC[N@H+](Cc1c[nH]nc1-c1ccsc1)Cc1ccccc1 ZINC000339408085 457097823 /nfs/dbraw/zinc/09/78/23/457097823.db2.gz PRSJJXCFLMTSJA-UHFFFAOYSA-N 2 1 326.469 3.489 20 0 EGADMP [NH3+]CCC[N@@H+](Cc1c[nH]nc1-c1ccsc1)Cc1ccccc1 ZINC000339408085 457097828 /nfs/dbraw/zinc/09/78/28/457097828.db2.gz PRSJJXCFLMTSJA-UHFFFAOYSA-N 2 1 326.469 3.489 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3ccc(OC(F)(F)F)cc3)C[C@@H]21 ZINC000342140137 457131526 /nfs/dbraw/zinc/13/15/26/457131526.db2.gz NWXWWUDIVMZYQA-UHOFOFEASA-N 2 1 344.377 3.023 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@@H]21 ZINC000342141410 457132053 /nfs/dbraw/zinc/13/20/53/457132053.db2.gz POYXPOHXZPTPPZ-JRGCBEDISA-N 2 1 337.467 3.220 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCCNc2cc(N3CCCCC3)ncn2)C1 ZINC000346743187 457143095 /nfs/dbraw/zinc/14/30/95/457143095.db2.gz NZHGLVQTJQAWRE-QGZVFWFLSA-N 2 1 331.508 3.391 20 0 EGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21)c1ccccc1 ZINC000354254183 457156885 /nfs/dbraw/zinc/15/68/85/457156885.db2.gz KAVJHURZLQZWDE-WBVHZDCISA-N 2 1 340.471 3.006 20 0 EGADMP C[C@H]1C[C@@H](N(C)CC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000354400515 457200210 /nfs/dbraw/zinc/20/02/10/457200210.db2.gz PDXRNIUNPRGLOA-FPOVZHCZSA-N 2 1 329.532 3.457 20 0 EGADMP C[N@H+](C[C@H](O)C[NH+](CCc1ccccc1)Cc1ccccc1)C1CC1 ZINC000351340968 457263182 /nfs/dbraw/zinc/26/31/82/457263182.db2.gz PMKUNLRGEWWYKX-QFIPXVFZSA-N 2 1 338.495 3.186 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH+](CCc1ccccc1)Cc1ccccc1)C1CC1 ZINC000351340968 457263187 /nfs/dbraw/zinc/26/31/87/457263187.db2.gz PMKUNLRGEWWYKX-QFIPXVFZSA-N 2 1 338.495 3.186 20 0 EGADMP C[NH+](C[C@H](O)C[N@H+](CCc1ccccc1)Cc1ccccc1)C1CC1 ZINC000351340968 457263189 /nfs/dbraw/zinc/26/31/89/457263189.db2.gz PMKUNLRGEWWYKX-QFIPXVFZSA-N 2 1 338.495 3.186 20 0 EGADMP C[NH+](C[C@H](O)C[N@@H+](CCc1ccccc1)Cc1ccccc1)C1CC1 ZINC000351340968 457263193 /nfs/dbraw/zinc/26/31/93/457263193.db2.gz PMKUNLRGEWWYKX-QFIPXVFZSA-N 2 1 338.495 3.186 20 0 EGADMP CC[NH+]1CCC(CC[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)CC1 ZINC000357027350 457284247 /nfs/dbraw/zinc/28/42/47/457284247.db2.gz OSQSIETXFNBXAW-LJQANCHMSA-N 2 1 344.478 3.360 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)C2CCC2)CC1 ZINC000357031787 457287297 /nfs/dbraw/zinc/28/72/97/457287297.db2.gz ZMFIFONRRASFNU-ZWKOTPCHSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)C2CCC2)CC1 ZINC000357031787 457287304 /nfs/dbraw/zinc/28/73/04/457287304.db2.gz ZMFIFONRRASFNU-ZWKOTPCHSA-N 2 1 343.515 3.012 20 0 EGADMP Cn1c2ccc(Cl)cc2nc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347227820 457299155 /nfs/dbraw/zinc/29/91/55/457299155.db2.gz WLRZURXNHPOUFX-OAHLLOKOSA-N 2 1 332.879 3.191 20 0 EGADMP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000340003987 457320126 /nfs/dbraw/zinc/32/01/26/457320126.db2.gz OXDDKXVKKVKJRO-SJORKVTESA-N 2 1 348.450 3.069 20 0 EGADMP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000340003987 457320131 /nfs/dbraw/zinc/32/01/31/457320131.db2.gz OXDDKXVKKVKJRO-SJORKVTESA-N 2 1 348.450 3.069 20 0 EGADMP C[C@H]([NH2+]C1CCN(c2nccs2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000360717871 457327371 /nfs/dbraw/zinc/32/73/71/457327371.db2.gz KDSAZJGEIXQYGR-HOTGVXAUSA-N 2 1 348.560 3.355 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OCC(C)C ZINC000357109417 457327667 /nfs/dbraw/zinc/32/76/67/457327667.db2.gz VWSPMWBYNRXKKK-ROUUACIJSA-N 2 1 332.488 3.161 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OCC(C)C ZINC000357109417 457327672 /nfs/dbraw/zinc/32/76/72/457327672.db2.gz VWSPMWBYNRXKKK-ROUUACIJSA-N 2 1 332.488 3.161 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363616817 457384174 /nfs/dbraw/zinc/38/41/74/457384174.db2.gz RYFZNCPUJGCEAC-HKUYNNGSSA-N 2 1 342.462 3.345 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363616817 457384181 /nfs/dbraw/zinc/38/41/81/457384181.db2.gz RYFZNCPUJGCEAC-HKUYNNGSSA-N 2 1 342.462 3.345 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)C(C)C ZINC000347377413 457388262 /nfs/dbraw/zinc/38/82/62/457388262.db2.gz APONBZSDWDEROJ-SFHVURJKSA-N 2 1 345.531 3.058 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)C(C)C ZINC000347377413 457388265 /nfs/dbraw/zinc/38/82/65/457388265.db2.gz APONBZSDWDEROJ-SFHVURJKSA-N 2 1 345.531 3.058 20 0 EGADMP COc1cccc2c(NC[C@]3([NH+](C)C)CCSC3)cc(C)[nH+]c12 ZINC000360883519 457405833 /nfs/dbraw/zinc/40/58/33/457405833.db2.gz KSVMAWDYZMUCFP-GOSISDBHSA-N 2 1 331.485 3.401 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000347406947 457407179 /nfs/dbraw/zinc/40/71/79/457407179.db2.gz BMDFFEJMQXBGKA-MSOLQXFVSA-N 2 1 329.488 3.458 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000347406947 457407184 /nfs/dbraw/zinc/40/71/84/457407184.db2.gz BMDFFEJMQXBGKA-MSOLQXFVSA-N 2 1 329.488 3.458 20 0 EGADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000352494861 457414010 /nfs/dbraw/zinc/41/40/10/457414010.db2.gz GIEANFYELNXTCD-OAHLLOKOSA-N 2 1 334.851 3.136 20 0 EGADMP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1cccc2ccccc21 ZINC000352507815 457426623 /nfs/dbraw/zinc/42/66/23/457426623.db2.gz DHHZYTZNALQZIJ-AEFFLSMTSA-N 2 1 339.483 3.220 20 0 EGADMP C[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1cccc2ccccc21 ZINC000352507815 457426629 /nfs/dbraw/zinc/42/66/29/457426629.db2.gz DHHZYTZNALQZIJ-AEFFLSMTSA-N 2 1 339.483 3.220 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000385474106 457429126 /nfs/dbraw/zinc/42/91/26/457429126.db2.gz AUVHWJHGZXMHEX-YUMYIRISSA-N 3 1 341.543 3.409 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000385474106 457429131 /nfs/dbraw/zinc/42/91/31/457429131.db2.gz AUVHWJHGZXMHEX-YUMYIRISSA-N 2 1 341.543 3.409 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000385474106 457429137 /nfs/dbraw/zinc/42/91/37/457429137.db2.gz AUVHWJHGZXMHEX-YUMYIRISSA-N 2 1 341.543 3.409 20 0 EGADMP C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392260544 457456887 /nfs/dbraw/zinc/45/68/87/457456887.db2.gz GNUKYOQITBCOTK-RDJZCZTQSA-N 2 1 337.508 3.016 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCc1ccc(F)cc1Cl ZINC000356124151 457468198 /nfs/dbraw/zinc/46/81/98/457468198.db2.gz PBMWIJUNVARUBU-BPQIPLTHSA-N 2 1 340.870 3.205 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCc1ccc(F)cc1Cl ZINC000356124151 457468203 /nfs/dbraw/zinc/46/82/03/457468203.db2.gz PBMWIJUNVARUBU-BPQIPLTHSA-N 2 1 340.870 3.205 20 0 EGADMP CCc1cccc(C)c1NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074743 457470181 /nfs/dbraw/zinc/47/01/81/457470181.db2.gz MZLVIWNSFAQBKN-UHFFFAOYSA-N 2 1 343.515 3.304 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C(C)C)C(C)C ZINC000360970209 457476741 /nfs/dbraw/zinc/47/67/41/457476741.db2.gz YSPSEBLXILAEPL-ROUUACIJSA-N 2 1 325.541 3.122 20 0 EGADMP C[C@@H]1C[C@H](CC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC(C)(C)C1 ZINC000364210320 457527637 /nfs/dbraw/zinc/52/76/37/457527637.db2.gz ZGQSIPDOITWVFZ-KURKYZTESA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[C@H](CC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC(C)(C)C1 ZINC000364210320 457527644 /nfs/dbraw/zinc/52/76/44/457527644.db2.gz ZGQSIPDOITWVFZ-KURKYZTESA-N 2 1 349.563 3.124 20 0 EGADMP Cc1cccnc1CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000404970075 457550651 /nfs/dbraw/zinc/55/06/51/457550651.db2.gz KROHYBDPQUMFKI-KCZVDYSFSA-N 2 1 335.495 3.433 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000425454896 457560521 /nfs/dbraw/zinc/56/05/21/457560521.db2.gz HAHLCNCTYRWMTK-RDTXWAMCSA-N 2 1 340.471 3.231 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C12CCCCC2 ZINC000352751732 457581933 /nfs/dbraw/zinc/58/19/33/457581933.db2.gz WMSYZNMUVHGZIV-HZPDHXFCSA-N 2 1 337.533 3.422 20 0 EGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000370306220 457615315 /nfs/dbraw/zinc/61/53/15/457615315.db2.gz UCXLSFRIRMGLFK-ACRUOGEOSA-N 2 1 330.516 3.346 20 0 EGADMP COC[C@@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C1CCCC1 ZINC000364733617 457683156 /nfs/dbraw/zinc/68/31/56/457683156.db2.gz LGNVWZAFPISDHG-LJQANCHMSA-N 2 1 349.519 3.298 20 0 EGADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000357834586 457705169 /nfs/dbraw/zinc/70/51/69/457705169.db2.gz MBRIFZFGNLDZGO-NQIIRXRSSA-N 3 1 329.532 3.348 20 0 EGADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCN(C)C[C@H]2C)CC1 ZINC000357834586 457705174 /nfs/dbraw/zinc/70/51/74/457705174.db2.gz MBRIFZFGNLDZGO-NQIIRXRSSA-N 2 1 329.532 3.348 20 0 EGADMP C[N@@H+](Cc1cc(F)cc(Br)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000361410912 457722216 /nfs/dbraw/zinc/72/22/16/457722216.db2.gz SNBFOQHDFIHGTA-GFCCVEGCSA-N 2 1 329.257 3.362 20 0 EGADMP C[N@H+](Cc1cc(F)cc(Br)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000361410912 457722219 /nfs/dbraw/zinc/72/22/19/457722219.db2.gz SNBFOQHDFIHGTA-GFCCVEGCSA-N 2 1 329.257 3.362 20 0 EGADMP C[NH+](Cc1cc(F)cc(Br)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000361410912 457722222 /nfs/dbraw/zinc/72/22/22/457722222.db2.gz SNBFOQHDFIHGTA-GFCCVEGCSA-N 2 1 329.257 3.362 20 0 EGADMP C[NH+](Cc1cc(F)cc(Br)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000361410912 457722223 /nfs/dbraw/zinc/72/22/23/457722223.db2.gz SNBFOQHDFIHGTA-GFCCVEGCSA-N 2 1 329.257 3.362 20 0 EGADMP CCn1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1=O ZINC000361431379 457729964 /nfs/dbraw/zinc/72/99/64/457729964.db2.gz CQEVZLXOHCUOKT-XLIONFOSSA-N 2 1 339.483 3.011 20 0 EGADMP CCn1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1=O ZINC000361431379 457729970 /nfs/dbraw/zinc/72/99/70/457729970.db2.gz CQEVZLXOHCUOKT-XLIONFOSSA-N 2 1 339.483 3.011 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccnn2C)c1 ZINC000375004297 457752714 /nfs/dbraw/zinc/75/27/14/457752714.db2.gz YCDJZFLAIFUYMM-AZUAARDMSA-N 2 1 338.499 3.312 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2ccnn2C)c1 ZINC000375004297 457752719 /nfs/dbraw/zinc/75/27/19/457752719.db2.gz YCDJZFLAIFUYMM-AZUAARDMSA-N 2 1 338.499 3.312 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(-c2ccnn2C)c1 ZINC000375004297 457752723 /nfs/dbraw/zinc/75/27/23/457752723.db2.gz YCDJZFLAIFUYMM-AZUAARDMSA-N 2 1 338.499 3.312 20 0 EGADMP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000433176504 457769666 /nfs/dbraw/zinc/76/96/66/457769666.db2.gz SEIRVVNGHLRRQB-IBGZPJMESA-N 2 1 335.536 3.166 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)Cn1ccnc1 ZINC000358079990 457772685 /nfs/dbraw/zinc/77/26/85/457772685.db2.gz FDDJVDROZKPTNW-QWFCFKBJSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)Cn1ccnc1 ZINC000358079990 457772687 /nfs/dbraw/zinc/77/26/87/457772687.db2.gz FDDJVDROZKPTNW-QWFCFKBJSA-N 2 1 326.488 3.162 20 0 EGADMP Clc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](c4ncc[nH]4)C3)nn2)cc1 ZINC000365964295 457785437 /nfs/dbraw/zinc/78/54/37/457785437.db2.gz BRAZKNNAUAVEDV-CYBMUJFWSA-N 2 1 342.834 3.023 20 0 EGADMP Clc1ccc(-n2cc(C[N@H+]3CCC[C@@H](c4ncc[nH]4)C3)nn2)cc1 ZINC000365964295 457785444 /nfs/dbraw/zinc/78/54/44/457785444.db2.gz BRAZKNNAUAVEDV-CYBMUJFWSA-N 2 1 342.834 3.023 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCCCC1 ZINC000358104801 457788904 /nfs/dbraw/zinc/78/89/04/457788904.db2.gz MYKORJOJNPGISE-WSTZPKSXSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCCCC1 ZINC000358104797 457788939 /nfs/dbraw/zinc/78/89/39/457788939.db2.gz MYKORJOJNPGISE-QWFCFKBJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)OC(=O)CCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000361676811 457818492 /nfs/dbraw/zinc/81/84/92/457818492.db2.gz AUJNJNBZTSZUOP-UXHICEINSA-N 2 1 344.499 3.315 20 0 EGADMP CC(C)OC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000361676811 457818497 /nfs/dbraw/zinc/81/84/97/457818497.db2.gz AUJNJNBZTSZUOP-UXHICEINSA-N 2 1 344.499 3.315 20 0 EGADMP CC(C)OC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000361676811 457818504 /nfs/dbraw/zinc/81/85/04/457818504.db2.gz AUJNJNBZTSZUOP-UXHICEINSA-N 2 1 344.499 3.315 20 0 EGADMP CC(C)OC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000361676811 457818514 /nfs/dbraw/zinc/81/85/14/457818514.db2.gz AUJNJNBZTSZUOP-UXHICEINSA-N 2 1 344.499 3.315 20 0 EGADMP CC(C)OC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000361676811 457818524 /nfs/dbraw/zinc/81/85/24/457818524.db2.gz AUJNJNBZTSZUOP-UXHICEINSA-N 2 1 344.499 3.315 20 0 EGADMP Cc1cc(NCCC[NH+]2CCN(c3ccccc3Cl)CC2)cc[nH+]1 ZINC000358159206 457823391 /nfs/dbraw/zinc/82/33/91/457823391.db2.gz ZEACEKSMHLOYEP-UHFFFAOYSA-N 2 1 344.890 3.090 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371303401 457856178 /nfs/dbraw/zinc/85/61/78/457856178.db2.gz OJMUYDPMJWAJIP-XMSQKQJNSA-N 2 1 337.511 3.298 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000371325419 457866033 /nfs/dbraw/zinc/86/60/33/457866033.db2.gz FKPKYTUAFGMUFR-NRFANRHFSA-N 3 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC[C@H]1CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000371325419 457866040 /nfs/dbraw/zinc/86/60/40/457866040.db2.gz FKPKYTUAFGMUFR-NRFANRHFSA-N 3 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC[C@H]1CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000371325419 457866045 /nfs/dbraw/zinc/86/60/45/457866045.db2.gz FKPKYTUAFGMUFR-NRFANRHFSA-N 2 1 341.543 3.459 20 0 EGADMP C[N@@H+]1CCC[C@H]1CCN1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000371325419 457866057 /nfs/dbraw/zinc/86/60/57/457866057.db2.gz FKPKYTUAFGMUFR-NRFANRHFSA-N 2 1 341.543 3.459 20 0 EGADMP C[N@H+]1CCC[C@H]1CCN1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000371325419 457866061 /nfs/dbraw/zinc/86/60/61/457866061.db2.gz FKPKYTUAFGMUFR-NRFANRHFSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC[C@H]1CCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000371325419 457866071 /nfs/dbraw/zinc/86/60/71/457866071.db2.gz FKPKYTUAFGMUFR-NRFANRHFSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC[C@H]1CCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000371325419 457866075 /nfs/dbraw/zinc/86/60/75/457866075.db2.gz FKPKYTUAFGMUFR-NRFANRHFSA-N 2 1 341.543 3.459 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000371437356 457930421 /nfs/dbraw/zinc/93/04/21/457930421.db2.gz DGRRRAPBPAFTHG-KSZLIROESA-N 2 1 329.488 3.237 20 0 EGADMP FC(F)(F)COCc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358327721 457936868 /nfs/dbraw/zinc/93/68/68/457936868.db2.gz KBMAPMXTAQZUSM-IRXDYDNUSA-N 2 1 342.405 3.482 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000358426404 457997646 /nfs/dbraw/zinc/99/76/46/457997646.db2.gz MSMHUCYYTAYQDN-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000358426404 457997648 /nfs/dbraw/zinc/99/76/48/457997648.db2.gz MSMHUCYYTAYQDN-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358426404 457997650 /nfs/dbraw/zinc/99/76/50/457997650.db2.gz MSMHUCYYTAYQDN-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1nn(C(C)C)cc1CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000375638404 458000940 /nfs/dbraw/zinc/00/09/40/458000940.db2.gz GHDOJJCVCCVCNV-IBGZPJMESA-N 2 1 326.488 3.384 20 0 EGADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375638404 458000947 /nfs/dbraw/zinc/00/09/47/458000947.db2.gz GHDOJJCVCCVCNV-IBGZPJMESA-N 2 1 326.488 3.384 20 0 EGADMP Cc1cccc2ncc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n21 ZINC000375674215 458015219 /nfs/dbraw/zinc/01/52/19/458015219.db2.gz AHVVPMPOFVJCRI-IBGZPJMESA-N 2 1 334.467 3.254 20 0 EGADMP CC(C)[N@H+]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411973146 458027200 /nfs/dbraw/zinc/02/72/00/458027200.db2.gz PQYQIIJYWQVDJC-UHFFFAOYSA-N 2 1 343.515 3.229 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000435372551 458122214 /nfs/dbraw/zinc/12/22/14/458122214.db2.gz RWEQPSVMJHLOIY-SJORKVTESA-N 2 1 347.466 3.103 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000435371397 458123025 /nfs/dbraw/zinc/12/30/25/458123025.db2.gz MRIIVZCCEUNAEG-MAUKXSAKSA-N 2 1 325.456 3.316 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435373550 458124073 /nfs/dbraw/zinc/12/40/73/458124073.db2.gz VDKGJKKQLKHELR-FUHWJXTLSA-N 2 1 347.466 3.103 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc2ccccc2nc1N1CCCCC1 ZINC000435375219 458125008 /nfs/dbraw/zinc/12/50/08/458125008.db2.gz UCEVOBCVCGTPPT-SJORKVTESA-N 2 1 338.499 3.394 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000435383840 458129730 /nfs/dbraw/zinc/12/97/30/458129730.db2.gz KLPFBTNYYIOGPP-IBGZPJMESA-N 2 1 340.467 3.445 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000435383840 458129737 /nfs/dbraw/zinc/12/97/37/458129737.db2.gz KLPFBTNYYIOGPP-IBGZPJMESA-N 2 1 340.467 3.445 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[C@@H]1[NH3+] ZINC000435381449 458131131 /nfs/dbraw/zinc/13/11/31/458131131.db2.gz TYUZEPNUCAREIP-UZLBHIALSA-N 2 1 347.466 3.103 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[C@@H]1[NH3+] ZINC000435381449 458131137 /nfs/dbraw/zinc/13/11/37/458131137.db2.gz TYUZEPNUCAREIP-UZLBHIALSA-N 2 1 347.466 3.103 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)cc1 ZINC000358661326 458134964 /nfs/dbraw/zinc/13/49/64/458134964.db2.gz IBZCLKVIEMOBIS-CALCHBBNSA-N 2 1 331.504 3.083 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1 ZINC000358661326 458134971 /nfs/dbraw/zinc/13/49/71/458134971.db2.gz IBZCLKVIEMOBIS-CALCHBBNSA-N 2 1 331.504 3.083 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1 ZINC000358661326 458134979 /nfs/dbraw/zinc/13/49/79/458134979.db2.gz IBZCLKVIEMOBIS-CALCHBBNSA-N 2 1 331.504 3.083 20 0 EGADMP CCCn1cc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000435420338 458141167 /nfs/dbraw/zinc/14/11/67/458141167.db2.gz CTHBQCQIYUUVFE-GOSISDBHSA-N 2 1 344.528 3.499 20 0 EGADMP CCCn1cc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000435420338 458141175 /nfs/dbraw/zinc/14/11/75/458141175.db2.gz CTHBQCQIYUUVFE-GOSISDBHSA-N 2 1 344.528 3.499 20 0 EGADMP C[C@@H]1CCCC[C@H]1C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435437953 458148145 /nfs/dbraw/zinc/14/81/45/458148145.db2.gz MDSQSTRVAQGNTA-SQNIBIBYSA-N 2 1 330.520 3.191 20 0 EGADMP CCN(C(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1)[C@H](C)c1ccc(F)cc1 ZINC000435626061 458176348 /nfs/dbraw/zinc/17/63/48/458176348.db2.gz NIPVQOWIAOPJAO-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CCN(C(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1)[C@H](C)c1ccc(F)cc1 ZINC000435626061 458176351 /nfs/dbraw/zinc/17/63/51/458176351.db2.gz NIPVQOWIAOPJAO-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412366199 458182390 /nfs/dbraw/zinc/18/23/90/458182390.db2.gz LJXYXSIKCKZXBQ-QGZVFWFLSA-N 2 1 331.504 3.131 20 0 EGADMP Clc1ccc(N2CCC[N@@H+](CCn3ccnc3)CC2)cc1Cl ZINC000376146004 458211543 /nfs/dbraw/zinc/21/15/43/458211543.db2.gz AYQHPZHERYTWEM-UHFFFAOYSA-N 2 1 339.270 3.402 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000436249567 458276990 /nfs/dbraw/zinc/27/69/90/458276990.db2.gz DZZBRBDKDFOJGP-WOJBJXKFSA-N 2 1 343.515 3.203 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000436249567 458276996 /nfs/dbraw/zinc/27/69/96/458276996.db2.gz DZZBRBDKDFOJGP-WOJBJXKFSA-N 2 1 343.515 3.203 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](CCc3nc(-c4ccccc4)no3)C2)CC1 ZINC000376384979 458284989 /nfs/dbraw/zinc/28/49/89/458284989.db2.gz KYVGZYBFXSMTBA-UHFFFAOYSA-N 2 1 340.471 3.087 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447392212 458292033 /nfs/dbraw/zinc/29/20/33/458292033.db2.gz MBOWTOCPBQPOCB-QGZVFWFLSA-N 2 1 349.482 3.341 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447392212 458292036 /nfs/dbraw/zinc/29/20/36/458292036.db2.gz MBOWTOCPBQPOCB-QGZVFWFLSA-N 2 1 349.482 3.341 20 0 EGADMP COc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc(OC)c1OC ZINC000369704485 458320313 /nfs/dbraw/zinc/32/03/13/458320313.db2.gz PZWBJYCCMPZOKM-UHFFFAOYSA-N 2 1 348.487 3.020 20 0 EGADMP O[C@H](C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1)C[NH+]1CCCC1 ZINC000429522319 458340586 /nfs/dbraw/zinc/34/05/86/458340586.db2.gz PDABIUHYDMCWFY-CTNGQTDRSA-N 2 1 342.458 3.156 20 0 EGADMP C[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000429577207 458347939 /nfs/dbraw/zinc/34/79/39/458347939.db2.gz DZMZNDXODNYXBT-YLJYHZDGSA-N 2 1 343.515 3.019 20 0 EGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459567841 458414611 /nfs/dbraw/zinc/41/46/11/458414611.db2.gz WMGFBDHRPDOODM-LJQANCHMSA-N 2 1 345.531 3.220 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459567841 458414614 /nfs/dbraw/zinc/41/46/14/458414614.db2.gz WMGFBDHRPDOODM-LJQANCHMSA-N 2 1 345.531 3.220 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000423434838 458432948 /nfs/dbraw/zinc/43/29/48/458432948.db2.gz KNUCWUMCXDPCEM-QZNJRLLKSA-N 3 1 341.543 3.407 20 0 EGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423457300 458435863 /nfs/dbraw/zinc/43/58/63/458435863.db2.gz IFDBHNRRRHOOKF-VXPFSUGTSA-N 3 1 339.527 3.288 20 0 EGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000423457300 458435867 /nfs/dbraw/zinc/43/58/67/458435867.db2.gz IFDBHNRRRHOOKF-VXPFSUGTSA-N 2 1 339.527 3.288 20 0 EGADMP CCOC[C@H]1CCCC[N@H+]1CCC[NH+]1CCCC[C@H]1COCC ZINC000459700038 458451225 /nfs/dbraw/zinc/45/12/25/458451225.db2.gz DICDLHFGAGLAES-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP CCOC[C@H]1CCCC[NH+]1CCC[N@@H+]1CCCC[C@H]1COCC ZINC000459700038 458451229 /nfs/dbraw/zinc/45/12/29/458451229.db2.gz DICDLHFGAGLAES-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP CCOC[C@H]1CCCC[NH+]1CCC[N@H+]1CCCC[C@H]1COCC ZINC000459700038 458451233 /nfs/dbraw/zinc/45/12/33/458451233.db2.gz DICDLHFGAGLAES-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP CCOc1c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)nn1CC(C)C ZINC000459722413 458457262 /nfs/dbraw/zinc/45/72/62/458457262.db2.gz BHEULKNMBRWKQZ-QGZVFWFLSA-N 2 1 336.524 3.068 20 0 EGADMP Cc1ccc(-c2noc(CCC[N@H+](C)CC[C@H]([NH3+])C(C)C)n2)cc1F ZINC000430545679 458458481 /nfs/dbraw/zinc/45/84/81/458458481.db2.gz IKXWLMCTAYHFRN-KRWDZBQOSA-N 2 1 348.466 3.422 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459744830 458466168 /nfs/dbraw/zinc/46/61/68/458466168.db2.gz XXVMLXZJMIDLQZ-HXUWFJFHSA-N 2 1 340.515 3.370 20 0 EGADMP Cc1sc2[nH]c([C@H](C)[NH+]3CCC([C@H](C)[NH3+])CC3)nc(=O)c2c1C ZINC000430921146 458505352 /nfs/dbraw/zinc/50/53/52/458505352.db2.gz XEZUQCYHFKABQM-QWRGUYRKSA-N 2 1 334.489 3.134 20 0 EGADMP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000430957748 458509760 /nfs/dbraw/zinc/50/97/60/458509760.db2.gz QDOGQZMJNGWTQG-CQSZACIVSA-N 2 1 337.895 3.215 20 0 EGADMP CCN(C(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)c1cccc2ccccc21 ZINC000430967073 458511347 /nfs/dbraw/zinc/51/13/47/458511347.db2.gz QMBGNVXJNYBMJB-FUHWJXTLSA-N 2 1 339.483 3.252 20 0 EGADMP CCN(C(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)c1cccc2ccccc21 ZINC000430967073 458511350 /nfs/dbraw/zinc/51/13/50/458511350.db2.gz QMBGNVXJNYBMJB-FUHWJXTLSA-N 2 1 339.483 3.252 20 0 EGADMP Cc1nc(CC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000377768629 458518819 /nfs/dbraw/zinc/51/88/19/458518819.db2.gz RTICMFSCCQFQGB-RBUKOAKNSA-N 2 1 341.524 3.448 20 0 EGADMP Cc1nc(CC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000377768629 458518823 /nfs/dbraw/zinc/51/88/23/458518823.db2.gz RTICMFSCCQFQGB-RBUKOAKNSA-N 2 1 341.524 3.448 20 0 EGADMP C[C@@H](CCc1ccccc1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468554785 458526939 /nfs/dbraw/zinc/52/69/39/458526939.db2.gz PQPZBPGCSYVPTP-UGKGYDQZSA-N 2 1 338.495 3.234 20 0 EGADMP C[C@@H](CCc1ccccc1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468554785 458526944 /nfs/dbraw/zinc/52/69/44/458526944.db2.gz PQPZBPGCSYVPTP-UGKGYDQZSA-N 2 1 338.495 3.234 20 0 EGADMP CCC[N@H+](CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)C1CC[NH2+]CC1 ZINC000431106575 458530551 /nfs/dbraw/zinc/53/05/51/458530551.db2.gz NMOOMQDEFFLOIV-OAQYLSRUSA-N 2 1 343.515 3.026 20 0 EGADMP CCC[N@@H+](CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)C1CC[NH2+]CC1 ZINC000431106575 458530559 /nfs/dbraw/zinc/53/05/59/458530559.db2.gz NMOOMQDEFFLOIV-OAQYLSRUSA-N 2 1 343.515 3.026 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1)C1CC1 ZINC000424082717 458554617 /nfs/dbraw/zinc/55/46/17/458554617.db2.gz WQMNSQPDTWJJBR-IBGZPJMESA-N 2 1 349.478 3.201 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424159382 458573536 /nfs/dbraw/zinc/57/35/36/458573536.db2.gz SLPLDTQFONGVEK-MOPGFXCFSA-N 2 1 337.552 3.301 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424169778 458576489 /nfs/dbraw/zinc/57/64/89/458576489.db2.gz HJFUHNIKMKWFHW-CEXWTWQISA-N 2 1 335.536 3.007 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(Cl)c1 ZINC000424283266 458604592 /nfs/dbraw/zinc/60/45/92/458604592.db2.gz BDVQFFNLKSCXKD-OAHLLOKOSA-N 2 1 349.906 3.359 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(Cl)c1 ZINC000424283266 458604595 /nfs/dbraw/zinc/60/45/95/458604595.db2.gz BDVQFFNLKSCXKD-OAHLLOKOSA-N 2 1 349.906 3.359 20 0 EGADMP C[C@H](Cn1cccn1)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000470261660 458625800 /nfs/dbraw/zinc/62/58/00/458625800.db2.gz UBBLVEWCVYNKRO-HBFSDRIKSA-N 2 1 326.488 3.162 20 0 EGADMP Cc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC000546574247 458640169 /nfs/dbraw/zinc/64/01/69/458640169.db2.gz MKPYDPCWOQVFRE-FCHUYYIVSA-N 2 1 338.495 3.243 20 0 EGADMP Cc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC000546574247 458640173 /nfs/dbraw/zinc/64/01/73/458640173.db2.gz MKPYDPCWOQVFRE-FCHUYYIVSA-N 2 1 338.495 3.243 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424446952 458644785 /nfs/dbraw/zinc/64/47/85/458644785.db2.gz TVOLRJXRMSVPBU-UHFFFAOYSA-N 2 1 346.519 3.430 20 0 EGADMP CC(C)[NH+](CCN(C)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)C(C)C ZINC000503989584 458735814 /nfs/dbraw/zinc/73/58/14/458735814.db2.gz VVAQXQILEFAISP-ZWKOTPCHSA-N 2 1 340.556 3.010 20 0 EGADMP C[C@H]([NH2+][C@@H](CO)C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547503489 458751738 /nfs/dbraw/zinc/75/17/38/458751738.db2.gz KYQBYUAZMFAOSG-WMQCIHAUSA-N 2 1 330.516 3.428 20 0 EGADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C1CCCCC1 ZINC000439900665 458763890 /nfs/dbraw/zinc/76/38/90/458763890.db2.gz LVDLFUFNNHVURV-IBGZPJMESA-N 2 1 335.536 3.164 20 0 EGADMP C[C@@H]1CCC[C@](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)([NH+](C)C)C1 ZINC000440114708 458782585 /nfs/dbraw/zinc/78/25/85/458782585.db2.gz YYLNYLYZCVBXIY-POAQFYNOSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000472347742 458789521 /nfs/dbraw/zinc/78/95/21/458789521.db2.gz PZAPYKLPJRCYLM-AZUAARDMSA-N 2 1 339.483 3.268 20 0 EGADMP CSc1ccc(OCC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000472446267 458795687 /nfs/dbraw/zinc/79/56/87/458795687.db2.gz JDLJSWDJEAPLJD-QGZVFWFLSA-N 2 1 334.529 3.451 20 0 EGADMP CSc1ccc(OCC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000472446267 458795692 /nfs/dbraw/zinc/79/56/92/458795692.db2.gz JDLJSWDJEAPLJD-QGZVFWFLSA-N 2 1 334.529 3.451 20 0 EGADMP CSc1ccc(OCC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000472446267 458795698 /nfs/dbraw/zinc/79/56/98/458795698.db2.gz JDLJSWDJEAPLJD-QGZVFWFLSA-N 2 1 334.529 3.451 20 0 EGADMP CSc1ccc(OCC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000472446267 458795704 /nfs/dbraw/zinc/79/57/04/458795704.db2.gz JDLJSWDJEAPLJD-QGZVFWFLSA-N 2 1 334.529 3.451 20 0 EGADMP C[N@H+]1CCCC[C@H]1CCN1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000472761569 458807208 /nfs/dbraw/zinc/80/72/08/458807208.db2.gz FXBFRLCAHLZNHD-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000530714376 458817000 /nfs/dbraw/zinc/81/70/00/458817000.db2.gz RKLYQTYWSQSPIO-RTBURBONSA-N 2 1 345.535 3.067 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495351695 458840614 /nfs/dbraw/zinc/84/06/14/458840614.db2.gz HHMIQEGHRHLKGZ-CABCVRRESA-N 2 1 327.513 3.094 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495351695 458840618 /nfs/dbraw/zinc/84/06/18/458840618.db2.gz HHMIQEGHRHLKGZ-CABCVRRESA-N 2 1 327.513 3.094 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495351695 458840623 /nfs/dbraw/zinc/84/06/23/458840623.db2.gz HHMIQEGHRHLKGZ-CABCVRRESA-N 2 1 327.513 3.094 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CCOC[C@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000530950144 458849411 /nfs/dbraw/zinc/84/94/11/458849411.db2.gz DSJMZTMSCDXXCT-HMXCVIKNSA-N 2 1 346.515 3.167 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CCOC[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000530950144 458849414 /nfs/dbraw/zinc/84/94/14/458849414.db2.gz DSJMZTMSCDXXCT-HMXCVIKNSA-N 2 1 346.515 3.167 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)CCOC[C@H]2CCCO2)CC[NH+]1Cc1ccccc1 ZINC000530950144 458849421 /nfs/dbraw/zinc/84/94/21/458849421.db2.gz DSJMZTMSCDXXCT-HMXCVIKNSA-N 2 1 346.515 3.167 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)CCOC[C@H]2CCCO2)CC[NH+]1Cc1ccccc1 ZINC000530950144 458849428 /nfs/dbraw/zinc/84/94/28/458849428.db2.gz DSJMZTMSCDXXCT-HMXCVIKNSA-N 2 1 346.515 3.167 20 0 EGADMP CC[C@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+](CC)CC ZINC000518253821 458852881 /nfs/dbraw/zinc/85/28/81/458852881.db2.gz NCQZXKGKNCFTBE-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCSc1ccc(F)cc1 ZINC000441258049 458907411 /nfs/dbraw/zinc/90/74/11/458907411.db2.gz SNOKXVANQXIBFQ-NJAFHUGGSA-N 2 1 338.492 3.101 20 0 EGADMP CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000495660390 458910600 /nfs/dbraw/zinc/91/06/00/458910600.db2.gz XXXLRQASISQEQM-IBGZPJMESA-N 2 1 339.524 3.099 20 0 EGADMP CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000495660390 458910605 /nfs/dbraw/zinc/91/06/05/458910605.db2.gz XXXLRQASISQEQM-IBGZPJMESA-N 2 1 339.524 3.099 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000519193411 458925884 /nfs/dbraw/zinc/92/58/84/458925884.db2.gz GJYZVXBQOSOLKK-HDICACEKSA-N 2 1 349.950 3.373 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000519193411 458925889 /nfs/dbraw/zinc/92/58/89/458925889.db2.gz GJYZVXBQOSOLKK-HDICACEKSA-N 2 1 349.950 3.373 20 0 EGADMP CC[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@@H]1CC1(C)C ZINC000566467005 458943442 /nfs/dbraw/zinc/94/34/42/458943442.db2.gz RABCRAFJRDHXPK-OALUTQOASA-N 2 1 349.563 3.124 20 0 EGADMP CCc1cccc(Cl)c1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000475689511 458958370 /nfs/dbraw/zinc/95/83/70/458958370.db2.gz CRQCAFAPUWLTIP-HNNXBMFYSA-N 2 1 338.923 3.427 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531724196 458968019 /nfs/dbraw/zinc/96/80/19/458968019.db2.gz CKKRWMRPZNQBKW-DZKIICNBSA-N 2 1 337.895 3.438 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531724196 458968024 /nfs/dbraw/zinc/96/80/24/458968024.db2.gz CKKRWMRPZNQBKW-DZKIICNBSA-N 2 1 337.895 3.438 20 0 EGADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCc3ccccc32)c2cccs2)CC1 ZINC000531932278 459002275 /nfs/dbraw/zinc/00/22/75/459002275.db2.gz BKBYURIJLDRBET-RBUKOAKNSA-N 2 1 341.524 3.314 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c2sccc21 ZINC000567042668 459038817 /nfs/dbraw/zinc/03/88/17/459038817.db2.gz QAWCBDAMKJESDE-RISCZKNCSA-N 2 1 331.489 3.061 20 0 EGADMP NC1(C[NH2+]Cc2cccc(F)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC000520369210 459053348 /nfs/dbraw/zinc/05/33/48/459053348.db2.gz GJUVIXHTDBFZDO-UHFFFAOYSA-N 2 1 345.437 3.048 20 0 EGADMP CCN(C)c1ccc(CN[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000567279192 459078505 /nfs/dbraw/zinc/07/85/05/459078505.db2.gz ZEUHQWQRBOPXPP-NRFANRHFSA-N 2 1 338.499 3.292 20 0 EGADMP CCN(C)c1ccc(CN[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000567279192 459078507 /nfs/dbraw/zinc/07/85/07/459078507.db2.gz ZEUHQWQRBOPXPP-NRFANRHFSA-N 2 1 338.499 3.292 20 0 EGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000443058450 459079847 /nfs/dbraw/zinc/07/98/47/459079847.db2.gz AFEQYCUGCOKVGL-DLBZAZTESA-N 2 1 339.483 3.078 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060893 459081840 /nfs/dbraw/zinc/08/18/40/459081840.db2.gz QAVGXAASXAGAMJ-RYUDHWBXSA-N 2 1 344.286 3.381 20 0 EGADMP CC(C)n1ccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000577810705 459098461 /nfs/dbraw/zinc/09/84/61/459098461.db2.gz OHSIIOUDDRUJAV-MRXNPFEDSA-N 2 1 330.476 3.255 20 0 EGADMP COc1ccc(C[C@H](C)C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1F ZINC000578050459 459138456 /nfs/dbraw/zinc/13/84/56/459138456.db2.gz AWUILRFJUXBXSM-VDZJLULYSA-N 2 1 334.479 3.429 20 0 EGADMP COc1ccc(C[C@H](C)C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1F ZINC000578050459 459138461 /nfs/dbraw/zinc/13/84/61/459138461.db2.gz AWUILRFJUXBXSM-VDZJLULYSA-N 2 1 334.479 3.429 20 0 EGADMP CC1CCC(O)(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000578064162 459140847 /nfs/dbraw/zinc/14/08/47/459140847.db2.gz WLCRAAXZYUQNGT-TVRKMHQQSA-N 2 1 336.545 3.491 20 0 EGADMP CC1CCC(O)(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000578064162 459140852 /nfs/dbraw/zinc/14/08/52/459140852.db2.gz WLCRAAXZYUQNGT-TVRKMHQQSA-N 2 1 336.545 3.491 20 0 EGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000479460733 459141623 /nfs/dbraw/zinc/14/16/23/459141623.db2.gz ZQWDZARJTDKYED-TYPHKJRUSA-N 2 1 328.500 3.205 20 0 EGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000479460733 459141628 /nfs/dbraw/zinc/14/16/28/459141628.db2.gz ZQWDZARJTDKYED-TYPHKJRUSA-N 2 1 328.500 3.205 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000567678265 459144107 /nfs/dbraw/zinc/14/41/07/459144107.db2.gz OJFBFACOMRVYNT-ZVDOUQERSA-N 2 1 332.532 3.328 20 0 EGADMP c1cc([C@@H]2CC[NH+](CCC[N@H+]3CC[C@@H](c4ccncc4)C3)C2)ccn1 ZINC000578245811 459170619 /nfs/dbraw/zinc/17/06/19/459170619.db2.gz ZFBFXTZHCNLYHQ-NHCUHLMSSA-N 2 1 336.483 3.146 20 0 EGADMP C[N@H+](CC(=O)NC(C)(C)CC[NH+]1CCCCCC1)Cc1ccccc1 ZINC000480067892 459181440 /nfs/dbraw/zinc/18/14/40/459181440.db2.gz CLLJSXFBVRJEOR-UHFFFAOYSA-N 2 1 345.531 3.279 20 0 EGADMP C[N@@H+](CC(=O)NC(C)(C)CC[NH+]1CCCCCC1)Cc1ccccc1 ZINC000480067892 459181446 /nfs/dbraw/zinc/18/14/46/459181446.db2.gz CLLJSXFBVRJEOR-UHFFFAOYSA-N 2 1 345.531 3.279 20 0 EGADMP Fc1cc(Br)ccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567870530 459181887 /nfs/dbraw/zinc/18/18/87/459181887.db2.gz FZPMUGRZRVVOIK-ZDUSSCGKSA-N 2 1 341.268 3.410 20 0 EGADMP COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000480087387 459182777 /nfs/dbraw/zinc/18/27/77/459182777.db2.gz BLOKYKWNKTXJGN-WMQCIHAUSA-N 2 1 345.531 3.152 20 0 EGADMP CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)N1CCCC1 ZINC000480535960 459203635 /nfs/dbraw/zinc/20/36/35/459203635.db2.gz AWVIRWTZFWWNDP-GHTZIAJQSA-N 2 1 347.547 3.398 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000533271764 459211310 /nfs/dbraw/zinc/21/13/10/459211310.db2.gz WEAPNVRGEYCHQT-UHFFFAOYSA-N 2 1 344.503 3.184 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000480724539 459216054 /nfs/dbraw/zinc/21/60/54/459216054.db2.gz VTIAUQCHFMNVMG-IJEWVQPXSA-N 2 1 341.421 3.214 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000480724539 459216060 /nfs/dbraw/zinc/21/60/60/459216060.db2.gz VTIAUQCHFMNVMG-IJEWVQPXSA-N 2 1 341.421 3.214 20 0 EGADMP Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000590786962 459219154 /nfs/dbraw/zinc/21/91/54/459219154.db2.gz OJGXVKMCFXHEJC-SFHVURJKSA-N 2 1 345.531 3.052 20 0 EGADMP C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000496517545 459224433 /nfs/dbraw/zinc/22/44/33/459224433.db2.gz ZHWQBKHBVWLLTB-RDJZCZTQSA-N 2 1 331.460 3.120 20 0 EGADMP C[C@@H](c1cccc(N2CCOC2=O)c1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000496517545 459224437 /nfs/dbraw/zinc/22/44/37/459224437.db2.gz ZHWQBKHBVWLLTB-RDJZCZTQSA-N 2 1 331.460 3.120 20 0 EGADMP C[C@@H](c1cccc(N2CCOC2=O)c1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000496517545 459224443 /nfs/dbraw/zinc/22/44/43/459224443.db2.gz ZHWQBKHBVWLLTB-RDJZCZTQSA-N 2 1 331.460 3.120 20 0 EGADMP Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000590818916 459232186 /nfs/dbraw/zinc/23/21/86/459232186.db2.gz IKNJWLBAYHCQQT-HXUWFJFHSA-N 2 1 348.531 3.095 20 0 EGADMP Cc1cccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1Cl ZINC000533645890 459260240 /nfs/dbraw/zinc/26/02/40/459260240.db2.gz OXWUITVTIKEXAN-UHFFFAOYSA-N 2 1 344.846 3.048 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000590955473 459281316 /nfs/dbraw/zinc/28/13/16/459281316.db2.gz RGRNZBBBKAFIHK-HAGHYFMRSA-N 2 1 348.556 3.397 20 0 EGADMP C[C@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[NH+]1CCC(C)CC1 ZINC000481975705 459282873 /nfs/dbraw/zinc/28/28/73/459282873.db2.gz WZKCWAKHWNBCHI-MOPGFXCFSA-N 2 1 347.547 3.398 20 0 EGADMP C[C@@H](NC[C@H](C)[NH+]1CCC(C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000481975707 459283387 /nfs/dbraw/zinc/28/33/87/459283387.db2.gz WZKCWAKHWNBCHI-RBUKOAKNSA-N 2 1 347.547 3.398 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1cccc(C)c1 ZINC000482137211 459292201 /nfs/dbraw/zinc/29/22/01/459292201.db2.gz IPOBHTPIYQEBNK-PMACEKPBSA-N 2 1 345.531 3.101 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000482164224 459293908 /nfs/dbraw/zinc/29/39/08/459293908.db2.gz NXDHNMVFAQZRDI-QRVBRYPASA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496719215 459299568 /nfs/dbraw/zinc/29/95/68/459299568.db2.gz UDPHLCYZIULVMS-IXDOHACOSA-N 2 1 339.524 3.096 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CC[NH+](C(C)C)C2)cc1)C(C)C ZINC000523455776 459305631 /nfs/dbraw/zinc/30/56/31/459305631.db2.gz JUGSOXOIGXHFJS-LJQANCHMSA-N 2 1 345.531 3.377 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1)C(C)C ZINC000523455776 459305635 /nfs/dbraw/zinc/30/56/35/459305635.db2.gz JUGSOXOIGXHFJS-LJQANCHMSA-N 2 1 345.531 3.377 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc1)C(C)C ZINC000523455776 459305639 /nfs/dbraw/zinc/30/56/39/459305639.db2.gz JUGSOXOIGXHFJS-LJQANCHMSA-N 2 1 345.531 3.377 20 0 EGADMP CCC(CC)[N@@H+](CCOC)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000560159315 459306391 /nfs/dbraw/zinc/30/63/91/459306391.db2.gz HJSZOQHFRBHGDV-NRFANRHFSA-N 2 1 348.531 3.415 20 0 EGADMP CN(CCc1ccccc1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000560156016 459306440 /nfs/dbraw/zinc/30/64/40/459306440.db2.gz SYOZFNAWDAGZKH-JOCHJYFZSA-N 2 1 338.495 3.452 20 0 EGADMP C[NH+](C)C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC000482978198 459333984 /nfs/dbraw/zinc/33/39/84/459333984.db2.gz MSTRQGRSUDOLBQ-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483201256 459349300 /nfs/dbraw/zinc/34/93/00/459349300.db2.gz PULMMMSZIQIYGQ-LJQANCHMSA-N 2 1 349.563 3.413 20 0 EGADMP Cn1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000560544183 459371021 /nfs/dbraw/zinc/37/10/21/459371021.db2.gz GVEYCLAWYQXPOO-HLAWJBBLSA-N 2 1 338.499 3.201 20 0 EGADMP Cn1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000560544183 459371023 /nfs/dbraw/zinc/37/10/23/459371023.db2.gz GVEYCLAWYQXPOO-HLAWJBBLSA-N 2 1 338.499 3.201 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1cccc(Br)c1 ZINC000483817472 459394291 /nfs/dbraw/zinc/39/42/91/459394291.db2.gz KLESMMOBDARPGW-NFAWXSAZSA-N 2 1 341.293 3.289 20 0 EGADMP CC[N@H+]1C[C@H](C)[C@H](NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000484503841 459416548 /nfs/dbraw/zinc/41/65/48/459416548.db2.gz SWPAVZLSWJWZJZ-JRBPQWBISA-N 2 1 329.532 3.073 20 0 EGADMP CCN1C[C@H](C)[C@H]([NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000484503841 459416552 /nfs/dbraw/zinc/41/65/52/459416552.db2.gz SWPAVZLSWJWZJZ-JRBPQWBISA-N 2 1 329.532 3.073 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000541348893 459447571 /nfs/dbraw/zinc/44/75/71/459447571.db2.gz JHFWTIWBCOATBW-AZUAARDMSA-N 2 1 347.934 3.428 20 0 EGADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000569684252 459492628 /nfs/dbraw/zinc/49/26/28/459492628.db2.gz MCLZGCYIMPMVPJ-UQASEVPWSA-N 2 1 334.467 3.229 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](C[C@@H]2C(C)=CCC[C@H]2C)CC1 ZINC000583408267 459533427 /nfs/dbraw/zinc/53/34/27/459533427.db2.gz OVBXGPMCXVCUQM-UYAOXDASSA-N 2 1 338.536 3.038 20 0 EGADMP C[NH+](C)CCc1ccccc1NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000527087329 459589164 /nfs/dbraw/zinc/58/91/64/459589164.db2.gz QNCNQECQRIKFGV-UHFFFAOYSA-N 2 1 346.519 3.129 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000583814696 459601293 /nfs/dbraw/zinc/60/12/93/459601293.db2.gz IJBUUMXQNUXFAR-LMNJBCLMSA-N 2 1 349.563 3.397 20 0 EGADMP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC(CC[NH3+])CC1 ZINC000572967697 459603599 /nfs/dbraw/zinc/60/35/99/459603599.db2.gz RGOJPGAJCIASFQ-CYBMUJFWSA-N 2 1 348.878 3.436 20 0 EGADMP COc1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC(F)F ZINC000596639260 459709824 /nfs/dbraw/zinc/70/98/24/459709824.db2.gz ORIDZPUATGSUBO-KBPBESRZSA-N 2 1 326.387 3.013 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC(F)F ZINC000596639260 459709829 /nfs/dbraw/zinc/70/98/29/459709829.db2.gz ORIDZPUATGSUBO-KBPBESRZSA-N 2 1 326.387 3.013 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC(F)F ZINC000596639260 459709834 /nfs/dbraw/zinc/70/98/34/459709834.db2.gz ORIDZPUATGSUBO-KBPBESRZSA-N 2 1 326.387 3.013 20 0 EGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000563135919 459723063 /nfs/dbraw/zinc/72/30/63/459723063.db2.gz PHHNITKCMGMGIB-MNOVXSKESA-N 2 1 337.265 3.055 20 0 EGADMP [NH3+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000584411724 459732169 /nfs/dbraw/zinc/73/21/69/459732169.db2.gz PUXPWCVPGZOYBV-QGZVFWFLSA-N 2 1 337.467 3.353 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)[C@H](C)C1 ZINC000544357271 459751728 /nfs/dbraw/zinc/75/17/28/459751728.db2.gz IUZGOUOITFHIJZ-YCXYWVQESA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)[C@H](C)C1 ZINC000544357271 459751731 /nfs/dbraw/zinc/75/17/31/459751731.db2.gz IUZGOUOITFHIJZ-YCXYWVQESA-N 2 1 330.516 3.284 20 0 EGADMP CC[C@@H](CCc1ccccc1)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000527858302 459760519 /nfs/dbraw/zinc/76/05/19/459760519.db2.gz JMHZOZHUCMJOQG-NRFANRHFSA-N 2 1 331.548 3.261 20 0 EGADMP C[C@H](NCC1(C[NH+](C)C)CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000544897501 459790333 /nfs/dbraw/zinc/79/03/33/459790333.db2.gz MVIQUNMFNUKNQP-SFHVURJKSA-N 2 1 347.547 3.400 20 0 EGADMP C[NH+](C)Cc1ccccc1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000545309530 459823262 /nfs/dbraw/zinc/82/32/62/459823262.db2.gz NQEYLFYPWVXODP-UHFFFAOYSA-N 2 1 331.504 3.019 20 0 EGADMP COC(=O)c1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1F ZINC000597047052 459824102 /nfs/dbraw/zinc/82/41/02/459824102.db2.gz NIQVHYBGAKNYEQ-HNNXBMFYSA-N 2 1 336.451 3.357 20 0 EGADMP CC[N@@H+](Cc1cc(C)c(C(=O)OC)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029813 459900997 /nfs/dbraw/zinc/90/09/97/459900997.db2.gz GUNOTCYJRHIFIB-UHFFFAOYSA-N 2 1 344.455 3.458 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C/C=C\c3cc(C)c(C)cc3C)C2)CC1 ZINC000602465448 459950578 /nfs/dbraw/zinc/95/05/78/459950578.db2.gz QXZXAMBBMONQCN-ICTHTSFCSA-N 2 1 341.543 3.337 20 0 EGADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602558135 459995746 /nfs/dbraw/zinc/99/57/46/459995746.db2.gz QXHPUNBBQWYLED-IAAVTCLWSA-N 2 1 334.529 3.057 20 0 EGADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602558135 459995755 /nfs/dbraw/zinc/99/57/55/459995755.db2.gz QXHPUNBBQWYLED-IAAVTCLWSA-N 2 1 334.529 3.057 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000599321380 460228084 /nfs/dbraw/zinc/22/80/84/460228084.db2.gz BVOAKULWEKOGLQ-HXUWFJFHSA-N 2 1 343.515 3.163 20 0 EGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC2CCC(C)(C)CC2)CC1 ZINC000622324894 460248387 /nfs/dbraw/zinc/24/83/87/460248387.db2.gz GZCHRWZUDDUAJX-UHFFFAOYSA-N 2 1 344.503 3.378 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)COc1ccccc1 ZINC000626061536 460358521 /nfs/dbraw/zinc/35/85/21/460358521.db2.gz NFIUHDKSUZMMDZ-FQEVSTJZSA-N 2 1 342.483 3.010 20 0 EGADMP O[C@@]1(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634713197 460489495 /nfs/dbraw/zinc/48/94/95/460489495.db2.gz RRULGNZKVYPUIB-YPAWHYETSA-N 2 1 336.479 3.159 20 0 EGADMP O[C@@]1(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634713197 460489502 /nfs/dbraw/zinc/48/95/02/460489502.db2.gz RRULGNZKVYPUIB-YPAWHYETSA-N 2 1 336.479 3.159 20 0 EGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000631654811 460490808 /nfs/dbraw/zinc/49/08/08/460490808.db2.gz IMMNANQXJYACEA-BHADISHBSA-N 2 1 326.843 3.381 20 0 EGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000631654811 460490813 /nfs/dbraw/zinc/49/08/13/460490813.db2.gz IMMNANQXJYACEA-BHADISHBSA-N 2 1 326.843 3.381 20 0 EGADMP CCO[C@@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@@H](OCC)C2)C1 ZINC000607153862 460798725 /nfs/dbraw/zinc/79/87/25/460798725.db2.gz CEQXIKLOXRKGBV-RTBURBONSA-N 2 1 326.525 3.159 20 0 EGADMP COc1cccc(CCC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629561888 460809780 /nfs/dbraw/zinc/80/97/80/460809780.db2.gz LDKWCYYYAMWCMM-HOCLYGCPSA-N 2 1 330.394 3.087 20 0 EGADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629563355 460810760 /nfs/dbraw/zinc/81/07/60/460810760.db2.gz DRZREIUPZORMJT-GDBMZVCRSA-N 2 1 330.394 3.141 20 0 EGADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629563355 460810767 /nfs/dbraw/zinc/81/07/67/460810767.db2.gz DRZREIUPZORMJT-GDBMZVCRSA-N 2 1 330.394 3.141 20 0 EGADMP Cc1ccccc1OCCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563556 460810778 /nfs/dbraw/zinc/81/07/78/460810778.db2.gz RPHXDZLZYLNZCI-HUUCEWRRSA-N 2 1 330.394 3.223 20 0 EGADMP Cc1ccccc1OCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563556 460810784 /nfs/dbraw/zinc/81/07/84/460810784.db2.gz RPHXDZLZYLNZCI-HUUCEWRRSA-N 2 1 330.394 3.223 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccc3c(c2)CCO3)CC[C@@H]1C(F)(F)F ZINC000629656381 460851516 /nfs/dbraw/zinc/85/15/16/460851516.db2.gz NYPZQNGLRUBYRH-CVEARBPZSA-N 2 1 342.405 3.013 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000624121239 460869599 /nfs/dbraw/zinc/86/95/99/460869599.db2.gz QXXAHDOEVACIKJ-BQJIDLTASA-N 2 1 341.499 3.141 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000624121459 460869962 /nfs/dbraw/zinc/86/99/62/460869962.db2.gz XBBROBIUNIFHKV-HZPDHXFCSA-N 2 1 344.503 3.353 20 0 EGADMP CN(C)Cc1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cc1F ZINC000629708695 460880666 /nfs/dbraw/zinc/88/06/66/460880666.db2.gz JXYCRROWWXMUJI-UHFFFAOYSA-N 2 1 341.474 3.477 20 0 EGADMP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@H+]3C3CCCC3)CC2)CC1 ZINC000635726383 460899269 /nfs/dbraw/zinc/89/92/69/460899269.db2.gz BFFCVHGECZSKPZ-AFMYVXGZSA-N 2 1 347.547 3.163 20 0 EGADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C)[NH+](C)C ZINC000635847677 460947409 /nfs/dbraw/zinc/94/74/09/460947409.db2.gz AFSSVHBTKRAYHT-VQIMIIECSA-N 2 1 342.487 3.123 20 0 EGADMP CCOc1cncc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000621343650 460998827 /nfs/dbraw/zinc/99/88/27/460998827.db2.gz MFLRFHCUNMKJCC-XLIONFOSSA-N 2 1 339.483 3.481 20 0 EGADMP CC(C)(C)CCNC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613644873 461023863 /nfs/dbraw/zinc/02/38/63/461023863.db2.gz TXMCTTHIWSRKDP-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP Cc1ccc([C@H](C)C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000628278839 461070235 /nfs/dbraw/zinc/07/02/35/461070235.db2.gz JRMDRSXIPZGVDY-NQIIRXRSSA-N 2 1 329.532 3.199 20 0 EGADMP c1cc2c(cc[nH+]c2N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)[nH]1 ZINC000624697755 461094979 /nfs/dbraw/zinc/09/49/79/461094979.db2.gz MEBJAJXLXAPBAJ-UHFFFAOYSA-N 2 1 331.423 3.366 20 0 EGADMP Cc1cn2ccc(NC(=O)NC[C@H](C)[N@H+]3CCCC[C@@H]3C)cc2n1 ZINC000668152043 461138708 /nfs/dbraw/zinc/13/87/08/461138708.db2.gz XMXYWSVWOHEJCU-GJZGRUSLSA-N 2 1 329.448 3.027 20 0 EGADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349201 461142149 /nfs/dbraw/zinc/14/21/49/461142149.db2.gz FJXFCGQNJPOXMO-UGUYLWEFSA-N 2 1 335.492 3.251 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+]([C@@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000652350134 461144230 /nfs/dbraw/zinc/14/42/30/461144230.db2.gz HSNFQDSMPJNIJZ-QOJCHSLYSA-N 2 1 332.463 3.421 20 0 EGADMP Cc1cccc2[nH]c(C[N@H+](C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)cc21 ZINC000668161995 461147798 /nfs/dbraw/zinc/14/77/98/461147798.db2.gz LGGSSDWRALKBMY-LJQANCHMSA-N 2 1 340.515 3.077 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000668169744 461154052 /nfs/dbraw/zinc/15/40/52/461154052.db2.gz YTFOJPQHLNBQNZ-PXNSSMCTSA-N 2 1 346.515 3.264 20 0 EGADMP Cn1cncc1CCC[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000662269980 461154749 /nfs/dbraw/zinc/15/47/49/461154749.db2.gz FVFFDOKJCSJIBL-PZJWPPBQSA-N 2 1 340.515 3.025 20 0 EGADMP Fc1ccc(SCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000662275129 461161390 /nfs/dbraw/zinc/16/13/90/461161390.db2.gz SLEJJQKEMPHAOY-KBPBESRZSA-N 2 1 326.456 3.378 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290275 461168328 /nfs/dbraw/zinc/16/83/28/461168328.db2.gz OOVKSMACRNFWBB-MRXNPFEDSA-N 2 1 349.906 3.299 20 0 EGADMP FC(F)(F)c1csc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662291911 461170853 /nfs/dbraw/zinc/17/08/53/461170853.db2.gz APPVJCVOFFUFMV-GFCCVEGCSA-N 2 1 333.423 3.374 20 0 EGADMP FC(F)(F)c1csc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662291911 461170862 /nfs/dbraw/zinc/17/08/62/461170862.db2.gz APPVJCVOFFUFMV-GFCCVEGCSA-N 2 1 333.423 3.374 20 0 EGADMP CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])c1ccccc1 ZINC000662312375 461184495 /nfs/dbraw/zinc/18/44/95/461184495.db2.gz BEUUYYKBUDSHKG-QFUCXCTJSA-N 2 1 345.531 3.339 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)[C@H]2CCc3cc(OC)c(OC)cc32)C[C@@H]1C ZINC000638109765 461245138 /nfs/dbraw/zinc/24/51/38/461245138.db2.gz GPPGVSOWZMFAGW-ZVZYQTTQSA-N 2 1 332.488 3.496 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)[C@H]2CCc3cc(OC)c(OC)cc32)C[C@@H]1C ZINC000638109765 461245144 /nfs/dbraw/zinc/24/51/44/461245144.db2.gz GPPGVSOWZMFAGW-ZVZYQTTQSA-N 2 1 332.488 3.496 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)[C@H]2CCc3cc(OC)c(OC)cc32)C[C@@H]1C ZINC000638109765 461245149 /nfs/dbraw/zinc/24/51/49/461245149.db2.gz GPPGVSOWZMFAGW-ZVZYQTTQSA-N 2 1 332.488 3.496 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)[C@H]2CCc3cc(OC)c(OC)cc32)C[C@@H]1C ZINC000638109765 461245154 /nfs/dbraw/zinc/24/51/54/461245154.db2.gz GPPGVSOWZMFAGW-ZVZYQTTQSA-N 2 1 332.488 3.496 20 0 EGADMP CC(C)O[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@@H](OC(C)C)C2)C1 ZINC000649702669 461289429 /nfs/dbraw/zinc/28/94/29/461289429.db2.gz KRDANZDJQNBAJA-BGEOSOQGSA-N 2 1 338.536 3.321 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000662701318 461352350 /nfs/dbraw/zinc/35/23/50/461352350.db2.gz OHKMRRJIMNWJFP-INIZCTEOSA-N 2 1 349.544 3.185 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC3CCCCC3)CC2)CC1 ZINC000646658056 461361389 /nfs/dbraw/zinc/36/13/89/461361389.db2.gz GQIMPQKWCJMXIE-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP c1ccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCCC2)cc1 ZINC000655685445 461361830 /nfs/dbraw/zinc/36/18/30/461361830.db2.gz DGJGHNOLFOLDKU-HXUWFJFHSA-N 2 1 328.500 3.341 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C[C@@H]1C ZINC000662743199 461364411 /nfs/dbraw/zinc/36/44/11/461364411.db2.gz LAKIGYAPAQFLAO-IPELMVKDSA-N 2 1 343.515 3.010 20 0 EGADMP Fc1ccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCCC2)cc1 ZINC000655691524 461365677 /nfs/dbraw/zinc/36/56/77/461365677.db2.gz CPHHHWVXHKLKMM-HXUWFJFHSA-N 2 1 346.490 3.480 20 0 EGADMP CCCCOc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655694379 461367407 /nfs/dbraw/zinc/36/74/07/461367407.db2.gz GEDRTRUPUFGGHR-IBGZPJMESA-N 2 1 332.488 3.208 20 0 EGADMP CC(C)(C)c1ccc(OCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655701055 461372401 /nfs/dbraw/zinc/37/24/01/461372401.db2.gz QAJGOOXUJTUIAK-LJQANCHMSA-N 2 1 346.515 3.206 20 0 EGADMP Cc1cccnc1[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC000655716859 461384639 /nfs/dbraw/zinc/38/46/39/461384639.db2.gz ZAZJHWGXMTXOOF-RTBURBONSA-N 2 1 331.504 3.320 20 0 EGADMP CCO[C@@H](CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCC1 ZINC000655717854 461386779 /nfs/dbraw/zinc/38/67/79/461386779.db2.gz DYOGNPNANMMJCC-UXHICEINSA-N 2 1 338.536 3.205 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3nsc4ccccc43)C2)C1 ZINC000641818411 461387621 /nfs/dbraw/zinc/38/76/21/461387621.db2.gz DQJFJUWCGWHNEK-CKEIUWERSA-N 2 1 331.485 3.015 20 0 EGADMP c1ccc([C@@H]2CCC[C@H]2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655771423 461435605 /nfs/dbraw/zinc/43/56/05/461435605.db2.gz KKDKXDIZVUFLQL-TYPHKJRUSA-N 2 1 328.500 3.413 20 0 EGADMP c1ccc([C@@H]2C[C@H](N[C@H]3CC[N@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638565838 461487817 /nfs/dbraw/zinc/48/78/17/461487817.db2.gz XWFOBYHYTLFHIN-LQWHRVPQSA-N 2 1 325.500 3.181 20 0 EGADMP c1ccc([C@@H]2C[C@H](N[C@H]3CC[NH+](C4CC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000638565838 461487822 /nfs/dbraw/zinc/48/78/22/461487822.db2.gz XWFOBYHYTLFHIN-LQWHRVPQSA-N 2 1 325.500 3.181 20 0 EGADMP c1ccc([C@@H]2C[C@H](N[C@H]3CC[NH+](C4CC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000638565838 461487825 /nfs/dbraw/zinc/48/78/25/461487825.db2.gz XWFOBYHYTLFHIN-LQWHRVPQSA-N 2 1 325.500 3.181 20 0 EGADMP C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655840470 461489510 /nfs/dbraw/zinc/48/95/10/461489510.db2.gz VNHMGPUCMXQCGO-NHRGSCSFSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655840470 461489518 /nfs/dbraw/zinc/48/95/18/461489518.db2.gz VNHMGPUCMXQCGO-NHRGSCSFSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000638613530 461506224 /nfs/dbraw/zinc/50/62/24/461506224.db2.gz YCRZEYXYIANWJF-HLIPFELVSA-N 2 1 343.515 3.249 20 0 EGADMP CCC(CC)(C[NH2+][C@H]1CCCNC(=O)C1)[NH2+][C@H](C)c1ccccc1 ZINC000638638364 461513791 /nfs/dbraw/zinc/51/37/91/461513791.db2.gz CNRWIFBIEJQJNC-AEFFLSMTSA-N 2 1 331.504 3.154 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659974323 461524985 /nfs/dbraw/zinc/52/49/85/461524985.db2.gz HMHAJKMMUVKHJK-MAUKXSAKSA-N 2 1 347.528 3.153 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@@H]1C ZINC000659983655 461529938 /nfs/dbraw/zinc/52/99/38/461529938.db2.gz RXHRTLHAVVTBIR-KSZLIROESA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@@H]1C ZINC000659983655 461529951 /nfs/dbraw/zinc/52/99/51/461529951.db2.gz RXHRTLHAVVTBIR-KSZLIROESA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@@H]1C ZINC000659983655 461529962 /nfs/dbraw/zinc/52/99/62/461529962.db2.gz RXHRTLHAVVTBIR-KSZLIROESA-N 2 1 337.552 3.076 20 0 EGADMP COc1ccccc1N1CCC([NH2+]CCCCn2cc[nH+]c2C)CC1 ZINC000631079608 461530944 /nfs/dbraw/zinc/53/09/44/461530944.db2.gz IWJGLHCWPBWBJP-UHFFFAOYSA-N 2 1 342.487 3.239 20 0 EGADMP O[C@@H]1CCCC[C@H]1[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000660009924 461543788 /nfs/dbraw/zinc/54/37/88/461543788.db2.gz CZFQVRYJRGRHEP-XRXFAXGQSA-N 2 1 328.500 3.276 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000660009924 461543797 /nfs/dbraw/zinc/54/37/97/461543797.db2.gz CZFQVRYJRGRHEP-XRXFAXGQSA-N 2 1 328.500 3.276 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000660009924 461543804 /nfs/dbraw/zinc/54/38/04/461543804.db2.gz CZFQVRYJRGRHEP-XRXFAXGQSA-N 2 1 328.500 3.276 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(C)(C)n2cncn2)cc1 ZINC000638768989 461569930 /nfs/dbraw/zinc/56/99/30/461569930.db2.gz IYFFBAABRBPUHL-LSDHHAIUSA-N 2 1 338.459 3.247 20 0 EGADMP Cn1cc(-c2ccc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)s2)cn1 ZINC000663343778 461570700 /nfs/dbraw/zinc/57/07/00/461570700.db2.gz FEWUDOWJIHFOID-MRXNPFEDSA-N 2 1 344.528 3.360 20 0 EGADMP c1cn2c(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)c(C3CC3)nc2s1 ZINC000663344567 461572237 /nfs/dbraw/zinc/57/22/37/461572237.db2.gz AQWJXUMJQZEGDT-HNNXBMFYSA-N 2 1 344.528 3.485 20 0 EGADMP c1cn2c(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)c(C3CC3)nc2s1 ZINC000663344567 461572243 /nfs/dbraw/zinc/57/22/43/461572243.db2.gz AQWJXUMJQZEGDT-HNNXBMFYSA-N 2 1 344.528 3.485 20 0 EGADMP CC[C@H](C)C[C@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000647245144 461584397 /nfs/dbraw/zinc/58/43/97/461584397.db2.gz REAAHDHBELQXGT-OXJNMPFZSA-N 2 1 336.495 3.219 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@H]1n1ccnc1 ZINC000660112295 461585656 /nfs/dbraw/zinc/58/56/56/461585656.db2.gz JOKHCUQDQFNHME-KZNAEPCWSA-N 2 1 346.519 3.051 20 0 EGADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000660128381 461598752 /nfs/dbraw/zinc/59/87/52/461598752.db2.gz LUMOLQHKOTXIDN-LBPRGKRZSA-N 2 1 325.334 3.150 20 0 EGADMP Cn1ccnc1[C@H]1CCN(Cc2cccc(F)c2OC(F)F)C1 ZINC000660128381 461598761 /nfs/dbraw/zinc/59/87/61/461598761.db2.gz LUMOLQHKOTXIDN-LBPRGKRZSA-N 2 1 325.334 3.150 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2[C@H](C)C[NH+](C)[C@@H](C)[C@H]2C)cc1)C(C)C ZINC000650149803 461600836 /nfs/dbraw/zinc/60/08/36/461600836.db2.gz KKPSRRILQDWPRG-FGTMMUONSA-N 2 1 345.531 3.470 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)cc1)C(C)C ZINC000650149803 461600838 /nfs/dbraw/zinc/60/08/38/461600838.db2.gz KKPSRRILQDWPRG-FGTMMUONSA-N 2 1 345.531 3.470 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]2C)cc1)C(C)C ZINC000650149803 461600844 /nfs/dbraw/zinc/60/08/44/461600844.db2.gz KKPSRRILQDWPRG-FGTMMUONSA-N 2 1 345.531 3.470 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000631194742 461634348 /nfs/dbraw/zinc/63/43/48/461634348.db2.gz PBSFBPXRINPJRI-HOJAQTOUSA-N 2 1 328.500 3.446 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000631195488 461634828 /nfs/dbraw/zinc/63/48/28/461634828.db2.gz YNYPFGKXVUSXAY-YLJYHZDGSA-N 2 1 339.483 3.338 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000631195488 461634832 /nfs/dbraw/zinc/63/48/32/461634832.db2.gz YNYPFGKXVUSXAY-YLJYHZDGSA-N 2 1 339.483 3.338 20 0 EGADMP CC(C)n1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631195791 461636394 /nfs/dbraw/zinc/63/63/94/461636394.db2.gz JZLHLRCDHAWXEY-XLIONFOSSA-N 2 1 326.488 3.322 20 0 EGADMP CC(C)n1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631195791 461636399 /nfs/dbraw/zinc/63/63/99/461636399.db2.gz JZLHLRCDHAWXEY-XLIONFOSSA-N 2 1 326.488 3.322 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000663470655 461660040 /nfs/dbraw/zinc/66/00/40/461660040.db2.gz VZYIDHJHEKQCAI-WBVHZDCISA-N 2 1 341.499 3.344 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000638966522 461660295 /nfs/dbraw/zinc/66/02/95/461660295.db2.gz CFFPZEUVOZASBL-RUCARUNLSA-N 2 1 331.504 3.166 20 0 EGADMP COC[C@H](C[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1)OC ZINC000638973283 461663779 /nfs/dbraw/zinc/66/37/79/461663779.db2.gz YXWORIWQCWRBJI-FPOVZHCZSA-N 2 1 348.531 3.176 20 0 EGADMP CCOc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)ccc1OC(F)F ZINC000647483005 461729876 /nfs/dbraw/zinc/72/98/76/461729876.db2.gz QQWZNKXHDPKYCV-UHFFFAOYSA-N 2 1 340.414 3.403 20 0 EGADMP CCOc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccc1OC(F)F ZINC000647483005 461729882 /nfs/dbraw/zinc/72/98/82/461729882.db2.gz QQWZNKXHDPKYCV-UHFFFAOYSA-N 2 1 340.414 3.403 20 0 EGADMP CCC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC[NH2+]CC1 ZINC000647484443 461731880 /nfs/dbraw/zinc/73/18/80/461731880.db2.gz KRISAAQDQFCRBD-UHFFFAOYSA-N 3 1 345.531 3.125 20 0 EGADMP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000643457247 461731918 /nfs/dbraw/zinc/73/19/18/461731918.db2.gz MWGMLABXLAIJNO-DNVCBOLYSA-N 2 1 341.455 3.360 20 0 EGADMP CC[C@@H]1C[N@H+](Cc2ccccc2OCc2cccnc2)CC[C@H]1[NH3+] ZINC000647497665 461736957 /nfs/dbraw/zinc/73/69/57/461736957.db2.gz PPOXVJKJFPATTJ-IEBWSBKVSA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccccc2OCc2cccnc2)CC[C@H]1[NH3+] ZINC000647497665 461736963 /nfs/dbraw/zinc/73/69/63/461736963.db2.gz PPOXVJKJFPATTJ-IEBWSBKVSA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@H]1C[N@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)CC[C@@H]1[NH3+] ZINC000647497475 461737022 /nfs/dbraw/zinc/73/70/22/461737022.db2.gz JGLFYMXCNDCVEW-KSSFIOAISA-N 2 1 348.441 3.327 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)CC[C@@H]1[NH3+] ZINC000647497475 461737029 /nfs/dbraw/zinc/73/70/29/461737029.db2.gz JGLFYMXCNDCVEW-KSSFIOAISA-N 2 1 348.441 3.327 20 0 EGADMP c1ccc2c(c1)onc2CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000653587108 461742461 /nfs/dbraw/zinc/74/24/61/461742461.db2.gz PPMWFIGDUMEGLF-BEFAXECRSA-N 2 1 325.456 3.319 20 0 EGADMP c1ccc2c(c1)onc2CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000653587108 461742472 /nfs/dbraw/zinc/74/24/72/461742472.db2.gz PPMWFIGDUMEGLF-BEFAXECRSA-N 2 1 325.456 3.319 20 0 EGADMP c1ccc2c(c1)onc2CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000653587108 461742482 /nfs/dbraw/zinc/74/24/82/461742482.db2.gz PPMWFIGDUMEGLF-BEFAXECRSA-N 2 1 325.456 3.319 20 0 EGADMP Brc1ccc([C@@H]([NH2+]C2CC[NH2+]CC2)[C@H]2CCCO2)cc1 ZINC000643496178 461744305 /nfs/dbraw/zinc/74/43/05/461744305.db2.gz KEDUUCCNMSJTDH-HZPDHXFCSA-N 2 1 339.277 3.011 20 0 EGADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000666664794 461747208 /nfs/dbraw/zinc/74/72/08/461747208.db2.gz MSFJBSUMXJLFRN-DOTOQJQBSA-N 2 1 345.491 3.053 20 0 EGADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000653604791 461755038 /nfs/dbraw/zinc/75/50/38/461755038.db2.gz ZNTWFEOYALCSDE-CVEARBPZSA-N 2 1 332.410 3.305 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000653604791 461755045 /nfs/dbraw/zinc/75/50/45/461755045.db2.gz ZNTWFEOYALCSDE-CVEARBPZSA-N 2 1 332.410 3.305 20 0 EGADMP C[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643549063 461761351 /nfs/dbraw/zinc/76/13/51/461761351.db2.gz ZSLWGAUDZXKPDQ-DFQSSKMNSA-N 2 1 327.516 3.161 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643549063 461761356 /nfs/dbraw/zinc/76/13/56/461761356.db2.gz ZSLWGAUDZXKPDQ-DFQSSKMNSA-N 3 1 327.516 3.161 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643549063 461761360 /nfs/dbraw/zinc/76/13/60/461761360.db2.gz ZSLWGAUDZXKPDQ-DFQSSKMNSA-N 3 1 327.516 3.161 20 0 EGADMP CC[N@@H+](Cc1cnc(CCOC)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000639172467 461780638 /nfs/dbraw/zinc/78/06/38/461780638.db2.gz LXZNMCYCUCKONO-UHFFFAOYSA-N 2 1 347.528 3.416 20 0 EGADMP C(=C\C[N@H+]1CC[C@@H](c2ccncc2)C1)\C[NH+]1CC[C@H](c2ccncc2)C1 ZINC000653681284 461806235 /nfs/dbraw/zinc/80/62/35/461806235.db2.gz LCYZHJDXGVUJNL-LJLUTMTPSA-N 2 1 348.494 3.312 20 0 EGADMP C(=C\C[N@@H+]1CC[C@H](c2ccncc2)C1)\C[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000653681284 461806244 /nfs/dbraw/zinc/80/62/44/461806244.db2.gz LCYZHJDXGVUJNL-LJLUTMTPSA-N 2 1 348.494 3.312 20 0 EGADMP C(=C\C[N@H+]1CC[C@H](c2ccncc2)C1)\C[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000653681284 461806254 /nfs/dbraw/zinc/80/62/54/461806254.db2.gz LCYZHJDXGVUJNL-LJLUTMTPSA-N 2 1 348.494 3.312 20 0 EGADMP CC[C@H]([NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC ZINC000639241131 461821806 /nfs/dbraw/zinc/82/18/06/461821806.db2.gz HWBBTWOHQIHYGO-GHTZIAJQSA-N 2 1 345.531 3.039 20 0 EGADMP CC(C)c1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(O)c(=O)c1 ZINC000663830411 461828408 /nfs/dbraw/zinc/82/84/08/461828408.db2.gz KWVYDJPMBHJLBM-GOSISDBHSA-N 2 1 344.499 3.040 20 0 EGADMP Cc1cccc([C@@H](CNc2[nH+]ccc3[nH]ccc32)[NH+]2CCOCC2)c1 ZINC000647856206 461860667 /nfs/dbraw/zinc/86/06/67/461860667.db2.gz SJPDPOCVXHNDII-LJQANCHMSA-N 2 1 336.439 3.357 20 0 EGADMP FC(F)(F)c1cccnc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783632 461891959 /nfs/dbraw/zinc/89/19/59/461891959.db2.gz RNUILXGWENHWJL-CQSZACIVSA-N 2 1 327.394 3.312 20 0 EGADMP Clc1ccc2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cn2c1 ZINC000656786247 461897174 /nfs/dbraw/zinc/89/71/74/461897174.db2.gz QVLDPJLGAFLPDH-OAHLLOKOSA-N 2 1 332.879 3.199 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000650705572 461898516 /nfs/dbraw/zinc/89/85/16/461898516.db2.gz LRBMXUUVIUGWDO-USXIJHARSA-N 2 1 342.405 3.424 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccc(OC(F)F)c3)C2)C1 ZINC000650706815 461898840 /nfs/dbraw/zinc/89/88/40/461898840.db2.gz SXMNVZVPWDEKHM-UXLLHSPISA-N 2 1 340.414 3.006 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@H](C)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660655093 461905461 /nfs/dbraw/zinc/90/54/61/461905461.db2.gz KKRKJHYYSJJZQK-FXAWDEMLSA-N 2 1 329.488 3.048 20 0 EGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCc1nc(-c3ccccc3)no1)C2 ZINC000660656171 461908192 /nfs/dbraw/zinc/90/81/92/461908192.db2.gz QJXQCDBQFJPDIH-FQEVSTJZSA-N 2 1 340.471 3.087 20 0 EGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCc1nc(-c3ccccc3)no1)C2 ZINC000660656171 461908198 /nfs/dbraw/zinc/90/81/98/461908198.db2.gz QJXQCDBQFJPDIH-FQEVSTJZSA-N 2 1 340.471 3.087 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCc1nc(-c3ccccc3)no1)C2 ZINC000660656171 461908203 /nfs/dbraw/zinc/90/82/03/461908203.db2.gz QJXQCDBQFJPDIH-FQEVSTJZSA-N 2 1 340.471 3.087 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCc1nc(-c3ccccc3)no1)C2 ZINC000660656171 461908209 /nfs/dbraw/zinc/90/82/09/461908209.db2.gz QJXQCDBQFJPDIH-FQEVSTJZSA-N 2 1 340.471 3.087 20 0 EGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(Cl)cc1)C2 ZINC000660658652 461910419 /nfs/dbraw/zinc/91/04/19/461910419.db2.gz FZNWSJQFAMBFPS-GOSISDBHSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)Nc1ccc(Cl)cc1)C2 ZINC000660658652 461910426 /nfs/dbraw/zinc/91/04/26/461910426.db2.gz FZNWSJQFAMBFPS-GOSISDBHSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)C2 ZINC000660658652 461910432 /nfs/dbraw/zinc/91/04/32/461910432.db2.gz FZNWSJQFAMBFPS-GOSISDBHSA-N 2 1 335.879 3.086 20 0 EGADMP Cc1nc2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)cc2s1 ZINC000650723023 461914732 /nfs/dbraw/zinc/91/47/32/461914732.db2.gz GKYXNNFRYLLHQH-CGTJXYLNSA-N 2 1 345.512 3.466 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2F)C1 ZINC000650722958 461915162 /nfs/dbraw/zinc/91/51/62/461915162.db2.gz FIJSLXYASDUFHX-BMFZPTHFSA-N 2 1 326.843 3.340 20 0 EGADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCc2ccc3ccccc3c2)CC1 ZINC000660695356 461926991 /nfs/dbraw/zinc/92/69/91/461926991.db2.gz PBIAGJIEVIEPJE-UHFFFAOYSA-N 2 1 340.511 3.455 20 0 EGADMP Brc1cccc(C[C@@H]2CCCC[N@@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647992962 461928220 /nfs/dbraw/zinc/92/82/20/461928220.db2.gz SYCKXRSGOIRFTJ-RDJZCZTQSA-N 2 1 337.305 3.456 20 0 EGADMP Brc1cccc(C[C@@H]2CCCC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647992962 461928227 /nfs/dbraw/zinc/92/82/27/461928227.db2.gz SYCKXRSGOIRFTJ-RDJZCZTQSA-N 2 1 337.305 3.456 20 0 EGADMP CCc1oc2ccccc2c1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071539 461968746 /nfs/dbraw/zinc/96/87/46/461968746.db2.gz HLWPTSZRXMFOKJ-UHFFFAOYSA-N 2 1 328.456 3.292 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(-c3ccccc3)o1)CCO2 ZINC000648071567 461968832 /nfs/dbraw/zinc/96/88/32/461968832.db2.gz IUKORILWDFAGLY-UHFFFAOYSA-N 2 1 326.440 3.243 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(-c3ccccc3)o1)CCO2 ZINC000648071567 461968841 /nfs/dbraw/zinc/96/88/41/461968841.db2.gz IUKORILWDFAGLY-UHFFFAOYSA-N 2 1 326.440 3.243 20 0 EGADMP C[C@H](CC[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000644534662 461975712 /nfs/dbraw/zinc/97/57/12/461975712.db2.gz ULJRWCRDZRDFEH-NQIIRXRSSA-N 2 1 326.484 3.263 20 0 EGADMP C[C@H](CC[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000644534662 461975719 /nfs/dbraw/zinc/97/57/19/461975719.db2.gz ULJRWCRDZRDFEH-NQIIRXRSSA-N 2 1 326.484 3.263 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000644652059 462024558 /nfs/dbraw/zinc/02/45/58/462024558.db2.gz LZGOEAJMVXLVMY-ROUUACIJSA-N 2 1 340.458 3.285 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000644652059 462024564 /nfs/dbraw/zinc/02/45/64/462024564.db2.gz LZGOEAJMVXLVMY-ROUUACIJSA-N 2 1 340.458 3.285 20 0 EGADMP C[C@H]1OCC[C@@H]1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000639656613 462042964 /nfs/dbraw/zinc/04/29/64/462042964.db2.gz SXFWBTQDACEZBG-UYAOXDASSA-N 2 1 328.500 3.400 20 0 EGADMP FC(F)Oc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639682583 462056068 /nfs/dbraw/zinc/05/60/68/462056068.db2.gz YYCGDJBIFHMKNN-UHFFFAOYSA-N 2 1 333.382 3.395 20 0 EGADMP C[C@@H]1C[C@H](N(C)Cc2cnc3n2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000667617893 462174679 /nfs/dbraw/zinc/17/46/79/462174679.db2.gz DOIQATAXPJHVOO-IEBWSBKVSA-N 2 1 338.499 3.314 20 0 EGADMP Cc1[nH+]cc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1C ZINC000667618246 462176294 /nfs/dbraw/zinc/17/62/94/462176294.db2.gz QVVJZNAXNCBSFC-APWZRJJASA-N 2 1 326.488 3.213 20 0 EGADMP Cc1[nH+]cc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1C ZINC000667618246 462176298 /nfs/dbraw/zinc/17/62/98/462176298.db2.gz QVVJZNAXNCBSFC-APWZRJJASA-N 2 1 326.488 3.213 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)C[C@@H]1C ZINC000667664832 462199862 /nfs/dbraw/zinc/19/98/62/462199862.db2.gz UENOTVZBGOTSHP-XKGZKEIXSA-N 2 1 332.488 3.159 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)C[C@@H]1C ZINC000667664832 462199867 /nfs/dbraw/zinc/19/98/67/462199867.db2.gz UENOTVZBGOTSHP-XKGZKEIXSA-N 2 1 332.488 3.159 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)C[C@@H]1C ZINC000667664832 462199873 /nfs/dbraw/zinc/19/98/73/462199873.db2.gz UENOTVZBGOTSHP-XKGZKEIXSA-N 2 1 332.488 3.159 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000667670998 462205268 /nfs/dbraw/zinc/20/52/68/462205268.db2.gz DYOCVJUYPRQFOJ-ICSRJNTNSA-N 2 1 346.515 3.408 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000667670998 462205274 /nfs/dbraw/zinc/20/52/74/462205274.db2.gz DYOCVJUYPRQFOJ-ICSRJNTNSA-N 2 1 346.515 3.408 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc3c(cccc3C)[nH]2)C1 ZINC000667681794 462210837 /nfs/dbraw/zinc/21/08/37/462210837.db2.gz RNSDIWLAWNKJDE-GOSISDBHSA-N 2 1 329.488 3.409 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000667705532 462224476 /nfs/dbraw/zinc/22/44/76/462224476.db2.gz FXSOXHGSCSHNHV-HQRMLTQVSA-N 2 1 332.488 3.016 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000667705532 462224483 /nfs/dbraw/zinc/22/44/83/462224483.db2.gz FXSOXHGSCSHNHV-HQRMLTQVSA-N 2 1 332.488 3.016 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000667705532 462224486 /nfs/dbraw/zinc/22/44/86/462224486.db2.gz FXSOXHGSCSHNHV-HQRMLTQVSA-N 2 1 332.488 3.016 20 0 EGADMP C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[NH+]1CC(C)C1 ZINC000654526445 462268449 /nfs/dbraw/zinc/26/84/49/462268449.db2.gz KYGOEXBEGKNOAU-DLBZAZTESA-N 2 1 329.488 3.340 20 0 EGADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[NH+]1CC(C)C1 ZINC000654526445 462268455 /nfs/dbraw/zinc/26/84/55/462268455.db2.gz KYGOEXBEGKNOAU-DLBZAZTESA-N 2 1 329.488 3.340 20 0 EGADMP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000651632151 462283897 /nfs/dbraw/zinc/28/38/97/462283897.db2.gz GEBGDPFGNQZLNN-UHFFFAOYSA-N 2 1 326.488 3.263 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc3ccncc3s2)CC1 ZINC000657833447 462287919 /nfs/dbraw/zinc/28/79/19/462287919.db2.gz AIVIDASUYRUZHJ-INIZCTEOSA-N 2 1 346.544 3.365 20 0 EGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc2ccncc2s1 ZINC000657869869 462302735 /nfs/dbraw/zinc/30/27/35/462302735.db2.gz AZADQXBFRCRQDH-HNNXBMFYSA-N 2 1 346.544 3.221 20 0 EGADMP CC1(C)[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000657891508 462309922 /nfs/dbraw/zinc/30/99/22/462309922.db2.gz ZWFBMXVUQPPHKC-RCLSDMTESA-N 2 1 328.500 3.038 20 0 EGADMP CC1(C)[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000657891508 462309926 /nfs/dbraw/zinc/30/99/26/462309926.db2.gz ZWFBMXVUQPPHKC-RCLSDMTESA-N 2 1 328.500 3.038 20 0 EGADMP Cn1cc(-c2nc(C[N@H+](C)CCCC[NH+]3CCCCC3)cs2)cn1 ZINC000640530366 462430655 /nfs/dbraw/zinc/43/06/55/462430655.db2.gz DCDKASCAUILTFB-UHFFFAOYSA-N 2 1 347.532 3.242 20 0 EGADMP Cn1cc(-c2nc(C[N@@H+](C)CCCC[NH+]3CCCCC3)cs2)cn1 ZINC000640530366 462430660 /nfs/dbraw/zinc/43/06/60/462430660.db2.gz DCDKASCAUILTFB-UHFFFAOYSA-N 2 1 347.532 3.242 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652141005 462447441 /nfs/dbraw/zinc/44/74/41/462447441.db2.gz CCXKGOOEPXSYSK-HOCLYGCPSA-N 2 1 336.476 3.095 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OC)c2C)[C@@H](C)C1 ZINC000658352312 462487550 /nfs/dbraw/zinc/48/75/50/462487550.db2.gz HWWIWAKZHZLUIX-LPHOPBHVSA-N 2 1 334.504 3.230 20 0 EGADMP Cc1cc(C)n(CC[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000649416793 462503223 /nfs/dbraw/zinc/50/32/23/462503223.db2.gz LYTWPGCMDQMACG-LEWJYISDSA-N 2 1 340.515 3.172 20 0 EGADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000646052027 462504467 /nfs/dbraw/zinc/50/44/67/462504467.db2.gz XOVGSRUOASCFFC-HXUWFJFHSA-N 2 1 343.515 3.229 20 0 EGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103429 462518625 /nfs/dbraw/zinc/51/86/25/462518625.db2.gz FVZQECVOWDOYCU-AWEZNQCLSA-N 2 1 340.414 3.146 20 0 EGADMP C[NH+](C)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000298478524 517914001 /nfs/dbraw/zinc/91/40/01/517914001.db2.gz PICJSMORYGBJAT-HXUWFJFHSA-N 3 1 330.520 3.151 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3ccccc3n2)[C@H](C)C1 ZINC000174399946 528663848 /nfs/dbraw/zinc/66/38/48/528663848.db2.gz DVAWHFXVBYNVNO-YLJYHZDGSA-N 2 1 341.499 3.461 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3ccccc3n2)[C@H](C)C1 ZINC000174399946 528663854 /nfs/dbraw/zinc/66/38/54/528663854.db2.gz DVAWHFXVBYNVNO-YLJYHZDGSA-N 2 1 341.499 3.461 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000167146137 528845062 /nfs/dbraw/zinc/84/50/62/528845062.db2.gz KZHNHHVNHPWSGC-SCTDSRPQSA-N 2 1 334.504 3.229 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000167146137 528845065 /nfs/dbraw/zinc/84/50/65/528845065.db2.gz KZHNHHVNHPWSGC-SCTDSRPQSA-N 2 1 334.504 3.229 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000183700167 529015840 /nfs/dbraw/zinc/01/58/40/529015840.db2.gz XMPLQXSBCNRORD-ZDUSSCGKSA-N 2 1 326.282 3.054 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000183700167 529015843 /nfs/dbraw/zinc/01/58/43/529015843.db2.gz XMPLQXSBCNRORD-ZDUSSCGKSA-N 2 1 326.282 3.054 20 0 EGADMP CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000338096156 535524725 /nfs/dbraw/zinc/52/47/25/535524725.db2.gz RFJMSOAFINMCNZ-IBGZPJMESA-N 2 1 343.515 3.134 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NCCCCn1cc[nH+]c1C)c1ccccc1 ZINC000266118338 535665952 /nfs/dbraw/zinc/66/59/52/535665952.db2.gz XBPQMWVLYXKHCV-IBGZPJMESA-N 2 1 342.487 3.171 20 0 EGADMP CCn1nccc1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000350552743 535867016 /nfs/dbraw/zinc/86/70/16/535867016.db2.gz FABVUMSYAFPERB-AZUAARDMSA-N 2 1 326.488 3.075 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000187384113 536777506 /nfs/dbraw/zinc/77/75/06/536777506.db2.gz FWDHDUPNXGUBDT-SFHVURJKSA-N 2 1 326.525 3.014 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C(=O)N1CCCC1 ZINC000089724255 546647149 /nfs/dbraw/zinc/64/71/49/546647149.db2.gz WDRFNIIKUAPSSN-IHPCNDPISA-N 2 1 349.563 3.266 20 0 EGADMP C[N@@H+](CCc1ccccn1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000120794380 546717987 /nfs/dbraw/zinc/71/79/87/546717987.db2.gz XSRHXNIVBXUEIJ-UHFFFAOYSA-N 2 1 339.483 3.231 20 0 EGADMP CO[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000123123508 546736940 /nfs/dbraw/zinc/73/69/40/546736940.db2.gz QSXNYXVEULMPEI-PMACEKPBSA-N 2 1 334.479 3.380 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000161624630 546957593 /nfs/dbraw/zinc/95/75/93/546957593.db2.gz SKGMMYZABYTRRF-INIZCTEOSA-N 2 1 329.488 3.338 20 0 EGADMP CCOc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OCC ZINC000165974854 546985161 /nfs/dbraw/zinc/98/51/61/546985161.db2.gz GYYYRIYDPXLUKR-QZTJIDSGSA-N 2 1 332.488 3.243 20 0 EGADMP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000166306718 546986900 /nfs/dbraw/zinc/98/69/00/546986900.db2.gz JMSJOXDGMWICSQ-IAGOWNOFSA-N 2 1 328.435 3.036 20 0 EGADMP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000166306718 546986906 /nfs/dbraw/zinc/98/69/06/546986906.db2.gz JMSJOXDGMWICSQ-IAGOWNOFSA-N 2 1 328.435 3.036 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166190960 546987164 /nfs/dbraw/zinc/98/71/64/546987164.db2.gz XZBHJQIAXCMBEK-VQTJNVASSA-N 2 1 345.531 3.124 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166190960 546987166 /nfs/dbraw/zinc/98/71/66/546987166.db2.gz XZBHJQIAXCMBEK-VQTJNVASSA-N 3 1 345.531 3.124 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166190960 546987168 /nfs/dbraw/zinc/98/71/68/546987168.db2.gz XZBHJQIAXCMBEK-VQTJNVASSA-N 3 1 345.531 3.124 20 0 EGADMP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166039538 546988752 /nfs/dbraw/zinc/98/87/52/546988752.db2.gz UATDODAKWUSSOA-LEWJYISDSA-N 2 1 327.516 3.389 20 0 EGADMP c1cc(C[NH+]2CCCCC2)ccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166039538 546988756 /nfs/dbraw/zinc/98/87/56/546988756.db2.gz UATDODAKWUSSOA-LEWJYISDSA-N 2 1 327.516 3.389 20 0 EGADMP c1cc(C[NH+]2CCCCC2)ccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166039538 546988760 /nfs/dbraw/zinc/98/87/60/546988760.db2.gz UATDODAKWUSSOA-LEWJYISDSA-N 2 1 327.516 3.389 20 0 EGADMP Clc1cnc(NCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000166687842 546989800 /nfs/dbraw/zinc/98/98/00/546989800.db2.gz YUPJWLIOPZSBIG-QWHCGFSZSA-N 2 1 329.275 3.017 20 0 EGADMP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246826660 547284863 /nfs/dbraw/zinc/28/48/63/547284863.db2.gz NXONGUMRGLEKOU-HRAATJIYSA-N 2 1 336.483 3.387 20 0 EGADMP Cc1nc2ccccc2nc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246826660 547284869 /nfs/dbraw/zinc/28/48/69/547284869.db2.gz NXONGUMRGLEKOU-HRAATJIYSA-N 2 1 336.483 3.387 20 0 EGADMP Cc1nc2ccccc2nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246826660 547284876 /nfs/dbraw/zinc/28/48/76/547284876.db2.gz NXONGUMRGLEKOU-HRAATJIYSA-N 2 1 336.483 3.387 20 0 EGADMP Cc1nc2ccccc2nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246826660 547284882 /nfs/dbraw/zinc/28/48/82/547284882.db2.gz NXONGUMRGLEKOU-HRAATJIYSA-N 2 1 336.483 3.387 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)CC[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000339248774 547572701 /nfs/dbraw/zinc/57/27/01/547572701.db2.gz BEDYQIIZZIYDGU-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)CC[N@H+]1CCCC[C@H]1C)c1ccco1 ZINC000339255695 547572914 /nfs/dbraw/zinc/57/29/14/547572914.db2.gz QQRMBBHGHCGBPO-SJORKVTESA-N 2 1 335.492 3.043 20 0 EGADMP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370737380 547791175 /nfs/dbraw/zinc/79/11/75/547791175.db2.gz IEDFQMHLAOCPJA-KBPBESRZSA-N 2 1 332.398 3.071 20 0 EGADMP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370737380 547791179 /nfs/dbraw/zinc/79/11/79/547791179.db2.gz IEDFQMHLAOCPJA-KBPBESRZSA-N 2 1 332.398 3.071 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(Cl)cc1Br ZINC000401755911 547837998 /nfs/dbraw/zinc/83/79/98/547837998.db2.gz DUWRSXTWFOLATL-UHFFFAOYSA-N 2 1 328.641 3.168 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414292442 547855004 /nfs/dbraw/zinc/85/50/04/547855004.db2.gz BCZDKJDSQZBJAM-HPBDAGMYSA-N 2 1 338.442 3.035 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OCCC(C)C ZINC000584594093 548097728 /nfs/dbraw/zinc/09/77/28/548097728.db2.gz RXDCNSGVGFNMEJ-MSOLQXFVSA-N 2 1 332.488 3.161 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OCCC(C)C ZINC000584594093 548097731 /nfs/dbraw/zinc/09/77/31/548097731.db2.gz RXDCNSGVGFNMEJ-MSOLQXFVSA-N 2 1 332.488 3.161 20 0 EGADMP CC[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[NH+](CC)CC ZINC000673637545 548586275 /nfs/dbraw/zinc/58/62/75/548586275.db2.gz MZJWNGZGRUKKRV-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP c1ccc2c(c1)SCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882339 548996311 /nfs/dbraw/zinc/99/63/11/548996311.db2.gz QSXPYOAEZJZLIO-SJLPKXTDSA-N 2 1 332.513 3.457 20 0 EGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000677239948 549235220 /nfs/dbraw/zinc/23/52/20/549235220.db2.gz AKLYJXBQJDUUGH-QYZOEREBSA-N 2 1 331.479 3.319 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000678278680 549457062 /nfs/dbraw/zinc/45/70/62/549457062.db2.gz BNKXKBVWLBSJQI-UHFFFAOYSA-N 2 1 332.488 3.162 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(OC(C)C)CC2)[C@H](C)C1 ZINC000678604167 549529580 /nfs/dbraw/zinc/52/95/80/549529580.db2.gz DLPUKIVNBZBQCE-YNIZLOQISA-N 2 1 340.552 3.449 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1(CC)CC ZINC000678926967 549596822 /nfs/dbraw/zinc/59/68/22/549596822.db2.gz DXVBHRVRCCPXJG-CEXWTWQISA-N 2 1 338.536 3.203 20 0 EGADMP CC[C@H](C)Oc1cc(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1OC ZINC000679364618 549697066 /nfs/dbraw/zinc/69/70/66/549697066.db2.gz HYCNMIDUZLDITI-CGTJXYLNSA-N 2 1 332.488 3.399 20 0 EGADMP OC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000679721606 549768271 /nfs/dbraw/zinc/76/82/71/549768271.db2.gz PJBKEALBKNDJID-SLFFLAALSA-N 2 1 328.500 3.182 20 0 EGADMP Fc1ccc2c(c1)OCCC[C@H]2NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000679770327 549774334 /nfs/dbraw/zinc/77/43/34/549774334.db2.gz MOZFPSYGDXOTMC-PKOBYXMFSA-N 2 1 348.462 3.272 20 0 EGADMP COc1ccc(COCC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000680401250 549862549 /nfs/dbraw/zinc/86/25/49/549862549.db2.gz LSIZWMJTUVNMIF-MJGOQNOKSA-N 2 1 346.515 3.454 20 0 EGADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000682094702 550073110 /nfs/dbraw/zinc/07/31/10/550073110.db2.gz RXGQFGBEVHEWEZ-JKSUJKDBSA-N 2 1 332.410 3.046 20 0 EGADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000682094702 550073113 /nfs/dbraw/zinc/07/31/13/550073113.db2.gz RXGQFGBEVHEWEZ-JKSUJKDBSA-N 2 1 332.410 3.046 20 0 EGADMP CC(C)(C)[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000684145658 550295922 /nfs/dbraw/zinc/29/59/22/550295922.db2.gz NSLGCDMQEAZCED-FQEVSTJZSA-N 2 1 346.515 3.408 20 0 EGADMP CC(C)(C)[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000684145658 550295923 /nfs/dbraw/zinc/29/59/23/550295923.db2.gz NSLGCDMQEAZCED-FQEVSTJZSA-N 2 1 346.515 3.408 20 0 EGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000684557554 550343006 /nfs/dbraw/zinc/34/30/06/550343006.db2.gz WTGYUFCBQHKPQT-SDZDHKAXSA-N 2 1 328.500 3.302 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cccnc32)[C@@H](C)C1 ZINC000684957883 550388202 /nfs/dbraw/zinc/38/82/02/550388202.db2.gz ZKYBISCUAAUMFU-YTQUADARSA-N 2 1 331.504 3.186 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cccnc32)[C@@H](C)C1 ZINC000684957883 550388204 /nfs/dbraw/zinc/38/82/04/550388204.db2.gz ZKYBISCUAAUMFU-YTQUADARSA-N 2 1 331.504 3.186 20 0 EGADMP C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685442217 550417359 /nfs/dbraw/zinc/41/73/59/550417359.db2.gz HZGWFWPXMHZCPC-PKOBYXMFSA-N 2 1 334.504 3.143 20 0 EGADMP C[C@@H](CCc1ccccc1)C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457619 550418838 /nfs/dbraw/zinc/41/88/38/550418838.db2.gz HCAXZUUUIBWJNG-SIKLNZKXSA-N 2 1 343.559 3.356 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000728571839 574759095 /nfs/dbraw/zinc/75/90/95/574759095.db2.gz MCMGARZBAAXIRU-UHFFFAOYSA-N 2 1 344.455 3.051 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC000729333554 574843387 /nfs/dbraw/zinc/84/33/87/574843387.db2.gz BSCMOBKEGGVQJQ-ICSRJNTNSA-N 2 1 343.515 3.204 20 0 EGADMP CC(C)Oc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000733330591 575328816 /nfs/dbraw/zinc/32/88/16/575328816.db2.gz CXDXJQFUXGLLEY-HXUWFJFHSA-N 2 1 332.488 3.207 20 0 EGADMP Fc1ccc(COc2cccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000678343319 576168105 /nfs/dbraw/zinc/16/81/05/576168105.db2.gz QRERHBLICKXVTG-ROUUACIJSA-N 2 1 326.415 3.056 20 0 EGADMP O[C@@H](C[NH2+][C@@H]1CCc2ccc(-c3ccccc3)cc21)C[NH+]1CCCC1 ZINC000681738779 576179593 /nfs/dbraw/zinc/17/95/93/576179593.db2.gz NXFPFJKXSFAKNX-RBBKRZOGSA-N 2 1 336.479 3.387 20 0 EGADMP c1c(CN2CCC[N@@H+](Cc3ccccc3)CC2)sc2c1C[NH2+]CC2 ZINC000687957405 1298121204 /nfs/dbraw/zinc/12/12/04/1298121204.db2.gz ANHHSHZNPINSMT-UHFFFAOYSA-N 2 1 341.524 3.102 20 0 EGADMP c1c(C[N@H+]2CCCN(Cc3ccccc3)CC2)sc2c1C[NH2+]CC2 ZINC000687957405 1298121206 /nfs/dbraw/zinc/12/12/06/1298121206.db2.gz ANHHSHZNPINSMT-UHFFFAOYSA-N 2 1 341.524 3.102 20 0 EGADMP c1c(C[N@@H+]2CCCN(Cc3ccccc3)CC2)sc2c1C[NH2+]CC2 ZINC000687957405 1298121209 /nfs/dbraw/zinc/12/12/09/1298121209.db2.gz ANHHSHZNPINSMT-UHFFFAOYSA-N 2 1 341.524 3.102 20 0 EGADMP Cc1c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)sc2nc(C)nc(C)c12 ZINC000030906901 1291356749 /nfs/dbraw/zinc/35/67/49/1291356749.db2.gz OGBAQKJLHKOORH-CQSZACIVSA-N 2 1 330.501 3.190 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000063917630 1292031154 /nfs/dbraw/zinc/03/11/54/1292031154.db2.gz DDKYVNRYMFAZQT-CYBMUJFWSA-N 2 1 329.257 3.410 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000063917630 1292031162 /nfs/dbraw/zinc/03/11/62/1292031162.db2.gz DDKYVNRYMFAZQT-CYBMUJFWSA-N 2 1 329.257 3.410 20 0 EGADMP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc(Cl)s2)c2ccccc2)CC1 ZINC000069171117 1292233822 /nfs/dbraw/zinc/23/38/22/1292233822.db2.gz HSLXXOQAFXDBIT-QGZVFWFLSA-N 2 1 349.931 3.480 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000069160449 1292234704 /nfs/dbraw/zinc/23/47/04/1292234704.db2.gz ABRAGTNRVMKOFZ-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000069160449 1292234707 /nfs/dbraw/zinc/23/47/07/1292234707.db2.gz ABRAGTNRVMKOFZ-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072808781 1292292799 /nfs/dbraw/zinc/29/27/99/1292292799.db2.gz UYBAZDLBENULQH-PKOBYXMFSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072808781 1292292808 /nfs/dbraw/zinc/29/28/08/1292292808.db2.gz UYBAZDLBENULQH-PKOBYXMFSA-N 2 1 346.519 3.085 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1OCC(C)C ZINC000075780640 1292410894 /nfs/dbraw/zinc/41/08/94/1292410894.db2.gz KQWVVZSBFJIREZ-KRWDZBQOSA-N 2 1 332.488 3.304 20 0 EGADMP CC(C)Oc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000076763126 1292441525 /nfs/dbraw/zinc/44/15/25/1292441525.db2.gz NFRPKOVVDHTCKH-GOSISDBHSA-N 2 1 332.488 3.064 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CC2(Cl)Cl)[C@@H](C)C1 ZINC000828936825 1292519482 /nfs/dbraw/zinc/51/94/82/1292519482.db2.gz VDCHCTHHFHAPED-SOUVJXGZSA-N 2 1 337.335 3.297 20 0 EGADMP CC(C)(O)c1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000830150735 1292674684 /nfs/dbraw/zinc/67/46/84/1292674684.db2.gz MZIJRNVSNJFHHB-UHFFFAOYSA-N 2 1 338.495 3.452 20 0 EGADMP CC(C)(O)c1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000830150735 1292674689 /nfs/dbraw/zinc/67/46/89/1292674689.db2.gz MZIJRNVSNJFHHB-UHFFFAOYSA-N 2 1 338.495 3.452 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000091787924 1292842915 /nfs/dbraw/zinc/84/29/15/1292842915.db2.gz LILDDJOTFUNPDW-UHFFFAOYSA-N 2 1 340.471 3.249 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000105451756 1293036637 /nfs/dbraw/zinc/03/66/37/1293036637.db2.gz KYXKMNGPUALIOJ-UHFFFAOYSA-N 2 1 325.500 3.203 20 0 EGADMP COc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1OC(C)C ZINC000105443693 1293037159 /nfs/dbraw/zinc/03/71/59/1293037159.db2.gz JWKZGJLWOYJEPR-HNNXBMFYSA-N 2 1 331.460 3.413 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000122799970 1293425384 /nfs/dbraw/zinc/42/53/84/1293425384.db2.gz GFGGQNBVKBCMNP-ZACQAIPSSA-N 2 1 339.524 3.286 20 0 EGADMP CCc1ccc(N2CC[NH+](CCCCn3cc[nH+]c3C)CC2)cc1 ZINC000124735227 1293483551 /nfs/dbraw/zinc/48/35/51/1293483551.db2.gz JBMGUKIUFWEUQR-UHFFFAOYSA-N 2 1 326.488 3.356 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000131449667 1293690180 /nfs/dbraw/zinc/69/01/80/1293690180.db2.gz CAISNSOSJKJSKS-HOTGVXAUSA-N 2 1 348.491 3.073 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccn2c[nH+]cc2c1 ZINC000133315353 1293741556 /nfs/dbraw/zinc/74/15/56/1293741556.db2.gz FJHRBXIOXJZOQI-LJQANCHMSA-N 2 1 348.450 3.119 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(CN2C(=O)C[C@@H]2c2ccccc2)CC1 ZINC000151802817 1293939620 /nfs/dbraw/zinc/93/96/20/1293939620.db2.gz QHOSWIXOQQUUCT-HXUWFJFHSA-N 2 1 343.515 3.361 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](CN2C(=O)C[C@@H]2c2ccccc2)CC1 ZINC000151802817 1293939622 /nfs/dbraw/zinc/93/96/22/1293939622.db2.gz QHOSWIXOQQUUCT-HXUWFJFHSA-N 2 1 343.515 3.361 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C(=O)C[C@@H]2c2ccccc2)CC1 ZINC000151802817 1293939628 /nfs/dbraw/zinc/93/96/28/1293939628.db2.gz QHOSWIXOQQUUCT-HXUWFJFHSA-N 2 1 343.515 3.361 20 0 EGADMP CCn1nccc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000159994862 1294253659 /nfs/dbraw/zinc/25/36/59/1294253659.db2.gz UARZDKCOBYCIKG-KRWDZBQOSA-N 2 1 326.488 3.425 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2nnc3ccccn32)cc1 ZINC000161076883 1294284692 /nfs/dbraw/zinc/28/46/92/1294284692.db2.gz BLJIXJKXNBLMTN-HNNXBMFYSA-N 2 1 346.438 3.117 20 0 EGADMP CC[C@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000183410499 1295117809 /nfs/dbraw/zinc/11/78/09/1295117809.db2.gz IPMHNBLQXZZRQS-DLBZAZTESA-N 2 1 339.524 3.240 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)c1 ZINC000870903844 1296134254 /nfs/dbraw/zinc/13/42/54/1296134254.db2.gz GPQQKGJFEAPTMQ-BGYRXZFFSA-N 2 1 345.531 3.442 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000247142698 1296383705 /nfs/dbraw/zinc/38/37/05/1296383705.db2.gz WJISPYOAVHSTSL-ZWOKBUDYSA-N 2 1 346.515 3.409 20 0 EGADMP CCOC(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)OCC ZINC000248634655 1296423600 /nfs/dbraw/zinc/42/36/00/1296423600.db2.gz UQFDNJKDMROTBF-PMACEKPBSA-N 2 1 346.515 3.372 20 0 EGADMP CCOC(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)OCC ZINC000248634655 1296423608 /nfs/dbraw/zinc/42/36/08/1296423608.db2.gz UQFDNJKDMROTBF-PMACEKPBSA-N 2 1 346.515 3.372 20 0 EGADMP CCOC(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)OCC ZINC000248634655 1296423613 /nfs/dbraw/zinc/42/36/13/1296423613.db2.gz UQFDNJKDMROTBF-PMACEKPBSA-N 2 1 346.515 3.372 20 0 EGADMP CCOC(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)OCC ZINC000248634655 1296423615 /nfs/dbraw/zinc/42/36/15/1296423615.db2.gz UQFDNJKDMROTBF-PMACEKPBSA-N 2 1 346.515 3.372 20 0 EGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000261545895 1296592720 /nfs/dbraw/zinc/59/27/20/1296592720.db2.gz GJESSCTWAZNMRI-QHAWAJNXSA-N 3 1 329.532 3.396 20 0 EGADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000261545895 1296592734 /nfs/dbraw/zinc/59/27/34/1296592734.db2.gz GJESSCTWAZNMRI-QHAWAJNXSA-N 2 1 329.532 3.396 20 0 EGADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000261545895 1296592743 /nfs/dbraw/zinc/59/27/43/1296592743.db2.gz GJESSCTWAZNMRI-QHAWAJNXSA-N 2 1 329.532 3.396 20 0 EGADMP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000261942936 1296609140 /nfs/dbraw/zinc/60/91/40/1296609140.db2.gz MYNOPTWVMUTDNW-GOSISDBHSA-N 2 1 343.515 3.003 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCCc3cc(OC)c(OC)cc32)C1 ZINC000872025254 1296667721 /nfs/dbraw/zinc/66/77/21/1296667721.db2.gz JEXRTODXQZWVDX-CRAIPNDOSA-N 2 1 332.488 3.403 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CCCC2 ZINC000872035867 1296685533 /nfs/dbraw/zinc/68/55/33/1296685533.db2.gz NWYIODVHISSASJ-MAUKXSAKSA-N 2 1 332.488 3.403 20 0 EGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2)C1)C1CCCC1 ZINC000872157833 1296777750 /nfs/dbraw/zinc/77/77/50/1296777750.db2.gz RJYGKEQCHYSOAN-LPHOPBHVSA-N 2 1 329.488 3.245 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000305110716 1296980019 /nfs/dbraw/zinc/98/00/19/1296980019.db2.gz CVXHOKCMDCIHBY-QZTJIDSGSA-N 2 1 340.870 3.337 20 0 EGADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592338 1297019476 /nfs/dbraw/zinc/01/94/76/1297019476.db2.gz NWTXIHNWLOBOJD-LPHOPBHVSA-N 2 1 328.435 3.063 20 0 EGADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592338 1297019494 /nfs/dbraw/zinc/01/94/94/1297019494.db2.gz NWTXIHNWLOBOJD-LPHOPBHVSA-N 2 1 328.435 3.063 20 0 EGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592338 1297019510 /nfs/dbraw/zinc/01/95/10/1297019510.db2.gz NWTXIHNWLOBOJD-LPHOPBHVSA-N 2 1 328.435 3.063 20 0 EGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592338 1297019526 /nfs/dbraw/zinc/01/95/26/1297019526.db2.gz NWTXIHNWLOBOJD-LPHOPBHVSA-N 2 1 328.435 3.063 20 0 EGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592338 1297019538 /nfs/dbraw/zinc/01/95/38/1297019538.db2.gz NWTXIHNWLOBOJD-LPHOPBHVSA-N 2 1 328.435 3.063 20 0 EGADMP O[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1c(Cl)cccc1Cl ZINC000305788424 1297051632 /nfs/dbraw/zinc/05/16/32/1297051632.db2.gz ZDPWAEOSUJZFCM-MRXNPFEDSA-N 2 1 343.298 3.491 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](n2cncn2)C1 ZINC000340471862 1297313501 /nfs/dbraw/zinc/31/35/01/1297313501.db2.gz YRGCXGWYXPJDRP-SWBPCFCJSA-N 2 1 347.551 3.356 20 0 EGADMP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCNC(=O)CC2)CCCCC1 ZINC000873172251 1297322972 /nfs/dbraw/zinc/32/29/72/1297322972.db2.gz QUZFECKABWBWBE-LJQANCHMSA-N 2 1 343.515 3.080 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCNC(=O)CC2)CCCCC1 ZINC000873172251 1297322986 /nfs/dbraw/zinc/32/29/86/1297322986.db2.gz QUZFECKABWBWBE-LJQANCHMSA-N 2 1 343.515 3.080 20 0 EGADMP C[C@H]([NH2+]Cc1cc(N)cc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873288818 1297411467 /nfs/dbraw/zinc/41/14/67/1297411467.db2.gz MALHFPZEFGDZBU-YJBOKZPZSA-N 2 1 327.447 3.408 20 0 EGADMP [NH3+]Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000381286332 1297551848 /nfs/dbraw/zinc/55/18/48/1297551848.db2.gz WJQZVLAFAKBVRH-YADHBBJMSA-N 3 1 335.495 3.099 20 0 EGADMP [NH3+]Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000381286332 1297551856 /nfs/dbraw/zinc/55/18/56/1297551856.db2.gz WJQZVLAFAKBVRH-YADHBBJMSA-N 3 1 335.495 3.099 20 0 EGADMP [NH3+]Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000381286332 1297551860 /nfs/dbraw/zinc/55/18/60/1297551860.db2.gz WJQZVLAFAKBVRH-YADHBBJMSA-N 3 1 335.495 3.099 20 0 EGADMP [NH3+]Cc1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000381286332 1297551864 /nfs/dbraw/zinc/55/18/64/1297551864.db2.gz WJQZVLAFAKBVRH-YADHBBJMSA-N 2 1 335.495 3.099 20 0 EGADMP [NH3+]Cc1ccc(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000381286332 1297551867 /nfs/dbraw/zinc/55/18/67/1297551867.db2.gz WJQZVLAFAKBVRH-YADHBBJMSA-N 2 1 335.495 3.099 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCCCCC[NH3+] ZINC000382728374 1297562967 /nfs/dbraw/zinc/56/29/67/1297562967.db2.gz XJOLNRIMPMCLIP-GOSISDBHSA-N 2 1 331.504 3.019 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000687673219 1298119621 /nfs/dbraw/zinc/11/96/21/1298119621.db2.gz RHLXTZMRMRYCQJ-BRWVUGGUSA-N 2 1 339.524 3.144 20 0 EGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000693912850 1298152772 /nfs/dbraw/zinc/15/27/72/1298152772.db2.gz SHKFZBPIECOPHD-BBRMVZONSA-N 2 1 325.294 3.454 20 0 EGADMP OCc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000714966781 1298275597 /nfs/dbraw/zinc/27/55/97/1298275597.db2.gz LYTLDSWVPHBBAQ-WIYYLYMNSA-N 2 1 337.467 3.065 20 0 EGADMP CC1(C)OC[C@H](C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)O1 ZINC000715098081 1298277380 /nfs/dbraw/zinc/27/73/80/1298277380.db2.gz YGONHCAZXWGJGU-OALUTQOASA-N 2 1 332.488 3.030 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000715036112 1298277512 /nfs/dbraw/zinc/27/75/12/1298277512.db2.gz CHJHWMVDBRTJJH-LEWJYISDSA-N 3 1 329.532 3.492 20 0 EGADMP [NH3+]CCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715036112 1298277522 /nfs/dbraw/zinc/27/75/22/1298277522.db2.gz CHJHWMVDBRTJJH-LEWJYISDSA-N 3 1 329.532 3.492 20 0 EGADMP [NH3+]CCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715036112 1298277529 /nfs/dbraw/zinc/27/75/29/1298277529.db2.gz CHJHWMVDBRTJJH-LEWJYISDSA-N 3 1 329.532 3.492 20 0 EGADMP [NH3+]CCCCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715036112 1298277538 /nfs/dbraw/zinc/27/75/38/1298277538.db2.gz CHJHWMVDBRTJJH-LEWJYISDSA-N 2 1 329.532 3.492 20 0 EGADMP [NH3+]CCCCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715036112 1298277547 /nfs/dbraw/zinc/27/75/47/1298277547.db2.gz CHJHWMVDBRTJJH-LEWJYISDSA-N 2 1 329.532 3.492 20 0 EGADMP C[NH+]1CCC([NH2+]Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000747595017 1298806314 /nfs/dbraw/zinc/80/63/14/1298806314.db2.gz XRGXSCLPMWSKTQ-UHFFFAOYSA-N 2 1 326.469 3.247 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000876708232 1298932415 /nfs/dbraw/zinc/93/24/15/1298932415.db2.gz IUONNVNKQBQFLQ-BEFAXECRSA-N 2 1 347.478 3.337 20 0 EGADMP CCOC(=O)N1CCC(C)(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)CC1 ZINC000876760052 1298965924 /nfs/dbraw/zinc/96/59/24/1298965924.db2.gz RUCVAWYFIVZARD-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP CCOC(=O)N1CCC(C)(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000876760052 1298965934 /nfs/dbraw/zinc/96/59/34/1298965934.db2.gz RUCVAWYFIVZARD-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP CCOC(=O)N1CCC(C)(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000876760052 1298965950 /nfs/dbraw/zinc/96/59/50/1298965950.db2.gz RUCVAWYFIVZARD-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP C[C@@]1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H]1c1ccccc1 ZINC000877031090 1299121214 /nfs/dbraw/zinc/12/12/14/1299121214.db2.gz MBTOVONMJXGSIO-HKBOAZHASA-N 2 1 328.500 3.413 20 0 EGADMP CC(C)([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000749073023 1299135764 /nfs/dbraw/zinc/13/57/64/1299135764.db2.gz LDSYYAXHCBPNKL-ZDUSSCGKSA-N 2 1 331.287 3.275 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000877528490 1299371201 /nfs/dbraw/zinc/37/12/01/1299371201.db2.gz BOVFWYDURSRLOZ-AXAPSJFSSA-N 2 1 331.287 3.489 20 0 EGADMP C[NH+]1CCN(C2CC[NH+](C/C=C\c3ccc(Cl)cc3)CC2)CC1 ZINC000877746398 1299524100 /nfs/dbraw/zinc/52/41/00/1299524100.db2.gz NVHZCDMHMTUXHI-IHWYPQMZSA-N 2 1 333.907 3.065 20 0 EGADMP C=C/C=C/CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000878607800 1300103954 /nfs/dbraw/zinc/10/39/54/1300103954.db2.gz ZATIIOLBNZGACK-YEFOHOTDSA-N 2 1 325.500 3.011 20 0 EGADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000756117443 1300442431 /nfs/dbraw/zinc/44/24/31/1300442431.db2.gz CSCWZXLOOXTQPA-CVEARBPZSA-N 2 1 348.491 3.391 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000758204546 1300813012 /nfs/dbraw/zinc/81/30/12/1300813012.db2.gz VQYDOHFIJNMPRA-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000880003142 1300841410 /nfs/dbraw/zinc/84/14/10/1300841410.db2.gz ADIJYRAXRBXJAO-QGZVFWFLSA-N 2 1 342.405 3.293 20 0 EGADMP C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000880003142 1300841422 /nfs/dbraw/zinc/84/14/22/1300841422.db2.gz ADIJYRAXRBXJAO-QGZVFWFLSA-N 2 1 342.405 3.293 20 0 EGADMP C[C@H](NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160938 1301227613 /nfs/dbraw/zinc/22/76/13/1301227613.db2.gz UIXVOOZWOAYZSE-WCFLWFBJSA-N 2 1 344.286 3.089 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160938 1301227619 /nfs/dbraw/zinc/22/76/19/1301227619.db2.gz UIXVOOZWOAYZSE-WCFLWFBJSA-N 2 1 344.286 3.089 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000762649469 1301720571 /nfs/dbraw/zinc/72/05/71/1301720571.db2.gz MMXDMPYLXIRNII-MSOLQXFVSA-N 2 1 342.487 3.024 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000762649469 1301720575 /nfs/dbraw/zinc/72/05/75/1301720575.db2.gz MMXDMPYLXIRNII-MSOLQXFVSA-N 2 1 342.487 3.024 20 0 EGADMP CC(C)[C@H]1CC(=O)N(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1 ZINC000763216169 1301847971 /nfs/dbraw/zinc/84/79/71/1301847971.db2.gz OHUUZPOPBWDDEM-QUCCMNQESA-N 2 1 349.563 3.425 20 0 EGADMP CC(C)[C@H]1CC(=O)N(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1 ZINC000763216169 1301847983 /nfs/dbraw/zinc/84/79/83/1301847983.db2.gz OHUUZPOPBWDDEM-QUCCMNQESA-N 2 1 349.563 3.425 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc3oc(=O)oc3c2)c1 ZINC000882981240 1302190351 /nfs/dbraw/zinc/19/03/51/1302190351.db2.gz FZXMIACADAJQLR-UHFFFAOYSA-N 2 1 326.396 3.128 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000765872079 1302343440 /nfs/dbraw/zinc/34/34/40/1302343440.db2.gz UPEDCDHGCMGOFV-BLLLJJGKSA-N 2 1 343.284 3.451 20 0 EGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCC2 ZINC000765972586 1302359230 /nfs/dbraw/zinc/35/92/30/1302359230.db2.gz BETWCLYGDKLJKM-CTNGQTDRSA-N 2 1 344.499 3.306 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000883386625 1302426036 /nfs/dbraw/zinc/42/60/36/1302426036.db2.gz JVEDUQQKCXIMPU-IBGZPJMESA-N 2 1 326.488 3.477 20 0 EGADMP C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000883461778 1302452029 /nfs/dbraw/zinc/45/20/29/1302452029.db2.gz CVADANPZEMMUHP-UKRRQHHQSA-N 2 1 328.460 3.420 20 0 EGADMP COc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1OC ZINC000768168261 1302841642 /nfs/dbraw/zinc/84/16/42/1302841642.db2.gz FAURFTUEGMMLNP-UHFFFAOYSA-N 2 1 328.456 3.397 20 0 EGADMP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886671936 1303550895 /nfs/dbraw/zinc/55/08/95/1303550895.db2.gz GRAICKRHVMTOOK-AEFFLSMTSA-N 2 1 346.519 3.386 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)cc(=O)oc2c1C ZINC000886874515 1303622527 /nfs/dbraw/zinc/62/25/27/1303622527.db2.gz PNVNLWOUMDHYCB-OAQYLSRUSA-N 2 1 340.467 3.375 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)cc(=O)oc2c1C ZINC000886874515 1303622531 /nfs/dbraw/zinc/62/25/31/1303622531.db2.gz PNVNLWOUMDHYCB-OAQYLSRUSA-N 2 1 340.467 3.375 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CN2CCSC2=O)CC1)CC(C)C ZINC000773272532 1303653723 /nfs/dbraw/zinc/65/37/23/1303653723.db2.gz RIHJYOCKBBSXBT-UHFFFAOYSA-N 2 1 327.538 3.193 20 0 EGADMP CC[N@H+](CCC1CC[NH+](CN2CCSC2=O)CC1)CC(C)C ZINC000773272532 1303653721 /nfs/dbraw/zinc/65/37/21/1303653721.db2.gz RIHJYOCKBBSXBT-UHFFFAOYSA-N 2 1 327.538 3.193 20 0 EGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000774310427 1303796921 /nfs/dbraw/zinc/79/69/21/1303796921.db2.gz BUMBVYQUZZBNFD-VOBGVNJCSA-N 2 1 343.515 3.444 20 0 EGADMP C[C@@H]1CC[NH+](CCOc2ccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)C1 ZINC000774310427 1303796924 /nfs/dbraw/zinc/79/69/24/1303796924.db2.gz BUMBVYQUZZBNFD-VOBGVNJCSA-N 2 1 343.515 3.444 20 0 EGADMP C[C@@H]1CC[NH+](CCOc2ccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)C1 ZINC000774310427 1303796927 /nfs/dbraw/zinc/79/69/27/1303796927.db2.gz BUMBVYQUZZBNFD-VOBGVNJCSA-N 2 1 343.515 3.444 20 0 EGADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)ccc1OC ZINC000775382478 1303950809 /nfs/dbraw/zinc/95/08/09/1303950809.db2.gz OQYSVCSLZNTOJY-MRXNPFEDSA-N 3 1 344.503 3.393 20 0 EGADMP O[C@H](C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1)C[NH+]1CCCC1 ZINC000775462633 1303968144 /nfs/dbraw/zinc/96/81/44/1303968144.db2.gz BCRYUMIAPNZTAX-MRXNPFEDSA-N 2 1 342.405 3.131 20 0 EGADMP CCOc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000775537994 1303981202 /nfs/dbraw/zinc/98/12/02/1303981202.db2.gz JBOFEULVNGJYIT-HKUYNNGSSA-N 2 1 334.504 3.219 20 0 EGADMP C[C@@H]1C[C@H](Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000776856214 1304212652 /nfs/dbraw/zinc/21/26/52/1304212652.db2.gz ONOTTWJWGHIGOY-SJLPKXTDSA-N 2 1 330.520 3.112 20 0 EGADMP C[C@H]1C[C@H](Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000776856212 1304212838 /nfs/dbraw/zinc/21/28/38/1304212838.db2.gz ONOTTWJWGHIGOY-FUHWJXTLSA-N 2 1 330.520 3.112 20 0 EGADMP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000779056076 1304524092 /nfs/dbraw/zinc/52/40/92/1304524092.db2.gz VLIZLPYNVWFPKV-LNLFQRSKSA-N 2 1 334.529 3.256 20 0 EGADMP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000779056076 1304524097 /nfs/dbraw/zinc/52/40/97/1304524097.db2.gz VLIZLPYNVWFPKV-LNLFQRSKSA-N 2 1 334.529 3.256 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCOc2cccnc2)C3)cc1 ZINC000779439257 1304572378 /nfs/dbraw/zinc/57/23/78/1304572378.db2.gz VACSIHIUIXNQKG-ACDBMABISA-N 2 1 337.467 3.246 20 0 EGADMP C[C@@H](NC(=O)CCCC[NH+]1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781203307 1304790611 /nfs/dbraw/zinc/79/06/11/1304790611.db2.gz DAIVEUDMTKIABK-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP CCOCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000783489271 1305097823 /nfs/dbraw/zinc/09/78/23/1305097823.db2.gz ATSBPRYOIUTDLR-IBGZPJMESA-N 2 1 332.488 3.223 20 0 EGADMP CCOCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000783489271 1305097830 /nfs/dbraw/zinc/09/78/30/1305097830.db2.gz ATSBPRYOIUTDLR-IBGZPJMESA-N 2 1 332.488 3.223 20 0 EGADMP CCOCOc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000783489271 1305097833 /nfs/dbraw/zinc/09/78/33/1305097833.db2.gz ATSBPRYOIUTDLR-IBGZPJMESA-N 2 1 332.488 3.223 20 0 EGADMP CCOCOc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000783489271 1305097839 /nfs/dbraw/zinc/09/78/39/1305097839.db2.gz ATSBPRYOIUTDLR-IBGZPJMESA-N 2 1 332.488 3.223 20 0 EGADMP Cc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cnc1F ZINC000892676828 1305502088 /nfs/dbraw/zinc/50/20/88/1305502088.db2.gz PRZHUENDEQYUST-MRXNPFEDSA-N 2 1 343.446 3.040 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000892944892 1305618942 /nfs/dbraw/zinc/61/89/42/1305618942.db2.gz WDAZXLNKWXGNOX-GFCCVEGCSA-N 2 1 335.439 3.458 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000892944892 1305618951 /nfs/dbraw/zinc/61/89/51/1305618951.db2.gz WDAZXLNKWXGNOX-GFCCVEGCSA-N 2 1 335.439 3.458 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCC3(CCCO3)CC2)cn1 ZINC000788248545 1305907419 /nfs/dbraw/zinc/90/74/19/1305907419.db2.gz RCTLFSBCPZBBSK-UHFFFAOYSA-N 2 1 326.444 3.157 20 0 EGADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCc2c[nH+]cn2C)ccc1OC ZINC000788256952 1305909701 /nfs/dbraw/zinc/90/97/01/1305909701.db2.gz KXRKWJCPPBUFCM-INIZCTEOSA-N 3 1 344.503 3.164 20 0 EGADMP CN(c1ccccc1C[N@H+]1CCC[C@H](CF)C1)C1CC[NH+](C)CC1 ZINC000895546289 1309394141 /nfs/dbraw/zinc/39/41/41/1309394141.db2.gz ZBUYGZSSRNSNNI-QGZVFWFLSA-N 2 1 333.495 3.399 20 0 EGADMP CC[NH+](CC)CC1CC[NH+](Cc2cccc(Br)n2)CC1 ZINC000794278359 1309498585 /nfs/dbraw/zinc/49/85/85/1309498585.db2.gz IBSQJUUTHJCDBQ-UHFFFAOYSA-N 2 1 340.309 3.398 20 0 EGADMP c1c[nH]c([C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)c2cccnc2)n1 ZINC000794812252 1309600052 /nfs/dbraw/zinc/60/00/52/1309600052.db2.gz VOFMLXWTFRKPTJ-ACBHZAAOSA-N 2 1 339.487 3.281 20 0 EGADMP Cc1ncc2n1C[C@@H](c1nc(-c3cccc(-n4ccnc4)c3)no1)CC2 ZINC000896087892 1309693600 /nfs/dbraw/zinc/69/36/00/1309693600.db2.gz OSXHFDIUQLSWCU-HNNXBMFYSA-N 2 1 346.394 3.157 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)c2ccccc2)cc1F ZINC000795526913 1309772898 /nfs/dbraw/zinc/77/28/98/1309772898.db2.gz IXESVVJSFOPOSZ-LJQANCHMSA-N 2 1 325.387 3.143 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccc(OC(F)F)cc2)s1 ZINC000796257744 1309945564 /nfs/dbraw/zinc/94/55/64/1309945564.db2.gz MWFLMEJFFBDUHG-UHFFFAOYSA-N 2 1 341.427 3.138 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000897537304 1310367682 /nfs/dbraw/zinc/36/76/82/1310367682.db2.gz SHUSMVYMZQSHLV-HZEGPAAWSA-N 2 1 330.516 3.428 20 0 EGADMP COc1cc2c(cc1C[N@H+]1CCCC3(CC[NH+](C)CC3)C1)O[C@@H](C)C2 ZINC000798957478 1310463784 /nfs/dbraw/zinc/46/37/84/1310463784.db2.gz XZVAICCOOQDPNF-INIZCTEOSA-N 2 1 344.499 3.326 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(CCO)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898170885 1310612904 /nfs/dbraw/zinc/61/29/04/1310612904.db2.gz NHMYCJCVRYVHDA-GCJKJVERSA-N 2 1 338.495 3.222 20 0 EGADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857281349 1328525996 /nfs/dbraw/zinc/52/59/96/1328525996.db2.gz YFWPRTBNGPDWAT-VQTJNVASSA-N 2 1 343.515 3.052 20 0 EGADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857281349 1328525998 /nfs/dbraw/zinc/52/59/98/1328525998.db2.gz YFWPRTBNGPDWAT-VQTJNVASSA-N 2 1 343.515 3.052 20 0 EGADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857281349 1328525999 /nfs/dbraw/zinc/52/59/99/1328525999.db2.gz YFWPRTBNGPDWAT-VQTJNVASSA-N 2 1 343.515 3.052 20 0 EGADMP C[NH+]1CCC2(CCCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)CC1 ZINC000857501767 1328543074 /nfs/dbraw/zinc/54/30/74/1328543074.db2.gz VFEKWZYASOVUMQ-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP COCCC[N@@H+](C)CCOc1ccc(-c2csc(C[NH3+])c2)cc1 ZINC000899324478 1316992806 /nfs/dbraw/zinc/99/28/06/1316992806.db2.gz MFSYDABYFWUTJL-UHFFFAOYSA-N 2 1 334.485 3.221 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)c1ccccc1 ZINC001019288771 1317146500 /nfs/dbraw/zinc/14/65/00/1317146500.db2.gz COKRUJMZCKVCSV-FRYIKTPZSA-N 2 1 343.515 3.059 20 0 EGADMP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900349541 1317280188 /nfs/dbraw/zinc/28/01/88/1317280188.db2.gz BPMSXQUMBSVWPQ-UXHICEINSA-N 2 1 341.499 3.280 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)c2C1 ZINC000900528583 1317300992 /nfs/dbraw/zinc/30/09/92/1317300992.db2.gz HQUUVHJVDKEGEQ-QFBILLFUSA-N 2 1 327.472 3.368 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)c2C1 ZINC000900528583 1317301000 /nfs/dbraw/zinc/30/10/00/1317301000.db2.gz HQUUVHJVDKEGEQ-QFBILLFUSA-N 2 1 327.472 3.368 20 0 EGADMP CCC[NH+]1Cc2cccc(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)c2C1 ZINC000900528583 1317301009 /nfs/dbraw/zinc/30/10/09/1317301009.db2.gz HQUUVHJVDKEGEQ-QFBILLFUSA-N 2 1 327.472 3.368 20 0 EGADMP CCC[NH+]1Cc2cccc(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)c2C1 ZINC000900528583 1317301019 /nfs/dbraw/zinc/30/10/19/1317301019.db2.gz HQUUVHJVDKEGEQ-QFBILLFUSA-N 2 1 327.472 3.368 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C1CN([C@@H](C)c2ccccc2)C1 ZINC000957420110 1317346727 /nfs/dbraw/zinc/34/67/27/1317346727.db2.gz FTBIUEPCKQOBEF-PXNSSMCTSA-N 2 1 343.515 3.155 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C1C[NH+](CCC2=CCCCC2)C1 ZINC000957424080 1317349583 /nfs/dbraw/zinc/34/95/83/1317349583.db2.gz CKFOMBRUBSTSQF-FQEVSTJZSA-N 2 1 347.547 3.284 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C1C[NH+](CCC2=CCCCC2)C1 ZINC000957424080 1317349593 /nfs/dbraw/zinc/34/95/93/1317349593.db2.gz CKFOMBRUBSTSQF-FQEVSTJZSA-N 2 1 347.547 3.284 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001019820651 1317439759 /nfs/dbraw/zinc/43/97/59/1317439759.db2.gz SAFYELHGGQDHMI-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)CC1 ZINC000957602661 1317491753 /nfs/dbraw/zinc/49/17/53/1317491753.db2.gz DJFXOGOWORQGGH-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)CC1 ZINC000957617686 1317500074 /nfs/dbraw/zinc/50/00/74/1317500074.db2.gz WUAUBZFFCXAMRL-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP [NH3+]C1(C[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000902408092 1317574364 /nfs/dbraw/zinc/57/43/64/1317574364.db2.gz WRSCJVQAGCYRRL-AWEZNQCLSA-N 2 1 334.261 3.389 20 0 EGADMP CC[N@@H+](CC1CCCC1)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC000957720144 1317587352 /nfs/dbraw/zinc/58/73/52/1317587352.db2.gz FBLGUZQQVGLUTN-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC1CCCC1)CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000957720144 1317587356 /nfs/dbraw/zinc/58/73/56/1317587356.db2.gz FBLGUZQQVGLUTN-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC1CCCC1)CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000957720144 1317587358 /nfs/dbraw/zinc/58/73/58/1317587358.db2.gz FBLGUZQQVGLUTN-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+](CN1CC[C@@H](C)C1=O)C1CCN(Cc2ccccc2)CC1 ZINC000902640895 1317601144 /nfs/dbraw/zinc/60/11/44/1317601144.db2.gz ORGABYQDQBGFLF-GOSISDBHSA-N 2 1 343.515 3.189 20 0 EGADMP CCC[N@@H+](CN1CC[C@@H](C)C1=O)C1CCN(Cc2ccccc2)CC1 ZINC000902640895 1317601151 /nfs/dbraw/zinc/60/11/51/1317601151.db2.gz ORGABYQDQBGFLF-GOSISDBHSA-N 2 1 343.515 3.189 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001020237808 1317603824 /nfs/dbraw/zinc/60/38/24/1317603824.db2.gz DKCBDAZUMGJMEZ-UFYCRDLUSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)c1cccc(Cl)c1 ZINC001020297753 1317633137 /nfs/dbraw/zinc/63/31/37/1317633137.db2.gz YFTGCPXSFSHQQU-MGHWNKPDSA-N 2 1 349.906 3.122 20 0 EGADMP CC(C)c1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001020302847 1317635734 /nfs/dbraw/zinc/63/57/34/1317635734.db2.gz UZUSYLLAHMYTIG-BJLQDIEVSA-N 2 1 343.515 3.031 20 0 EGADMP c1ccc(C[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)cc1 ZINC000903056572 1317644316 /nfs/dbraw/zinc/64/43/16/1317644316.db2.gz VQXZMUSDGZSWJP-XDNSSPFJSA-N 2 1 339.527 3.398 20 0 EGADMP c1ccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CC2)cc1 ZINC000903056572 1317644322 /nfs/dbraw/zinc/64/43/22/1317644322.db2.gz VQXZMUSDGZSWJP-XDNSSPFJSA-N 2 1 339.527 3.398 20 0 EGADMP c1ccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)cc1 ZINC000903056572 1317644329 /nfs/dbraw/zinc/64/43/29/1317644329.db2.gz VQXZMUSDGZSWJP-XDNSSPFJSA-N 2 1 339.527 3.398 20 0 EGADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000957782567 1317644553 /nfs/dbraw/zinc/64/45/53/1317644553.db2.gz IYEYVTWVBDWSGH-ICSRJNTNSA-N 2 1 343.515 3.075 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000957782567 1317644557 /nfs/dbraw/zinc/64/45/57/1317644557.db2.gz IYEYVTWVBDWSGH-ICSRJNTNSA-N 2 1 343.515 3.075 20 0 EGADMP CC(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[NH+]1CCC(C)CC1 ZINC000903067498 1317646909 /nfs/dbraw/zinc/64/69/09/1317646909.db2.gz SYTMVVAPRNPDDZ-KRIYCRJKSA-N 2 1 333.564 3.490 20 0 EGADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000903116813 1317656239 /nfs/dbraw/zinc/65/62/39/1317656239.db2.gz JLIQBNBDALJUCS-MAWREPJSSA-N 2 1 346.515 3.134 20 0 EGADMP COc1ccc(OC)c(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903128766 1317659117 /nfs/dbraw/zinc/65/91/17/1317659117.db2.gz AVVJKHOIDCZJNQ-JLYLLQBASA-N 2 1 344.499 3.384 20 0 EGADMP COc1ccc2c(c1)CC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)C2 ZINC000903148188 1317662531 /nfs/dbraw/zinc/66/25/31/1317662531.db2.gz QJSCQONFXXXKRR-FQVATPOOSA-N 2 1 326.484 3.300 20 0 EGADMP COc1ccc([C@@H](C[NH+](C)C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903165696 1317666438 /nfs/dbraw/zinc/66/64/38/1317666438.db2.gz NQPAKZKKPKXZOT-ZJVRTDGDSA-N 2 1 343.515 3.045 20 0 EGADMP OC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(Cl)cc1 ZINC000903172299 1317667661 /nfs/dbraw/zinc/66/76/61/1317667661.db2.gz XHCUTRKZSDRCGT-NMACRGETSA-N 2 1 334.891 3.163 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000903258380 1317681618 /nfs/dbraw/zinc/68/16/18/1317681618.db2.gz BJUJRYSLSSLGLZ-PMXSJFBMSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000903258380 1317681624 /nfs/dbraw/zinc/68/16/24/1317681624.db2.gz BJUJRYSLSSLGLZ-PMXSJFBMSA-N 2 1 330.516 3.428 20 0 EGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000808691704 1317717214 /nfs/dbraw/zinc/71/72/14/1317717214.db2.gz MXRJZBKJSVTQSQ-YRNRMSPPSA-N 2 1 339.483 3.307 20 0 EGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000808691704 1317717217 /nfs/dbraw/zinc/71/72/17/1317717217.db2.gz MXRJZBKJSVTQSQ-YRNRMSPPSA-N 2 1 339.483 3.307 20 0 EGADMP c1ccc2sc([C@@H]3CCC[N@@H+]3C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)nc2c1 ZINC000903734486 1317726803 /nfs/dbraw/zinc/72/68/03/1317726803.db2.gz ZFSVGJBKGZHCTD-QOKNQOGYSA-N 2 1 343.496 3.202 20 0 EGADMP c1ccc(-c2n[nH]c([C@H]3CCC[N@H+](C[C@H]4CCCC[NH2+]C4)C3)n2)cc1 ZINC000903755476 1317729834 /nfs/dbraw/zinc/72/98/34/1317729834.db2.gz HUGYZILFMCLFGN-WMZOPIPTSA-N 2 1 339.487 3.041 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903756816 1317731273 /nfs/dbraw/zinc/73/12/73/1317731273.db2.gz WEUIJQZJEZQRAJ-NZGUISNBSA-N 2 1 344.499 3.237 20 0 EGADMP CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903770724 1317732050 /nfs/dbraw/zinc/73/20/50/1317732050.db2.gz YYRJMJBATBJKLX-BJLQDIEVSA-N 2 1 332.463 3.162 20 0 EGADMP C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903783925 1317733136 /nfs/dbraw/zinc/73/31/36/1317733136.db2.gz HNISTYICJUZANR-VQTJNVASSA-N 2 1 346.490 3.381 20 0 EGADMP C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903783923 1317733400 /nfs/dbraw/zinc/73/34/00/1317733400.db2.gz HNISTYICJUZANR-PMACEKPBSA-N 2 1 346.490 3.381 20 0 EGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2cc3ccccc3[nH]c2=O)CCC1 ZINC000903814591 1317736996 /nfs/dbraw/zinc/73/69/96/1317736996.db2.gz NLTNZSKWOULZRW-GOSISDBHSA-N 2 1 325.456 3.424 20 0 EGADMP CC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000903906722 1317746128 /nfs/dbraw/zinc/74/61/28/1317746128.db2.gz YQTMWPMTCYKDPG-OTYNDTSQSA-N 2 1 327.516 3.113 20 0 EGADMP CC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000903906723 1317746396 /nfs/dbraw/zinc/74/63/96/1317746396.db2.gz YQTMWPMTCYKDPG-VTHDOGFWSA-N 2 1 327.516 3.113 20 0 EGADMP C[N@@H+](Cc1nc(-c2cccc(-n3ccnc3)c2)no1)CC(C)(C)C ZINC000904002965 1317766518 /nfs/dbraw/zinc/76/65/18/1317766518.db2.gz BQLDNTXRFWUFBZ-UHFFFAOYSA-N 2 1 325.416 3.400 20 0 EGADMP COc1cccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1OC1CCCC1 ZINC000904361056 1317836455 /nfs/dbraw/zinc/83/64/55/1317836455.db2.gz UDIJQVUBLDOBIA-HXUWFJFHSA-N 2 1 332.488 3.496 20 0 EGADMP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000904368329 1317837918 /nfs/dbraw/zinc/83/79/18/1317837918.db2.gz QEWKMURPZBWBCX-CQSZACIVSA-N 2 1 332.517 3.491 20 0 EGADMP Fc1cccn2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]CC4)CC3)nc12 ZINC000904416105 1317844874 /nfs/dbraw/zinc/84/48/74/1317844874.db2.gz HKVCENLMHRXOSE-OAHLLOKOSA-N 2 1 330.451 3.075 20 0 EGADMP C[N@@H+](CCNC(=O)Nc1ccc(C(C)(C)[NH3+])cc1)Cc1ccccc1 ZINC000904573322 1317864813 /nfs/dbraw/zinc/86/48/13/1317864813.db2.gz SXOJNNKXMJDRAL-UHFFFAOYSA-N 2 1 340.471 3.134 20 0 EGADMP CC(C)([NH3+])c1ccc(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000904602100 1317867675 /nfs/dbraw/zinc/86/76/75/1317867675.db2.gz KXECDQYTNPTMQB-IRXDYDNUSA-N 2 1 330.476 3.019 20 0 EGADMP CC[C@@H](C)[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C(=O)OC ZINC000905758208 1317992082 /nfs/dbraw/zinc/99/20/82/1317992082.db2.gz WGCAJUBJSXVERZ-RHSMWYFYSA-N 2 1 338.517 3.137 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001021299250 1318175858 /nfs/dbraw/zinc/17/58/58/1318175858.db2.gz GGDCCJSBYSERIP-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001021299250 1318175870 /nfs/dbraw/zinc/17/58/70/1318175870.db2.gz GGDCCJSBYSERIP-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001021299250 1318175877 /nfs/dbraw/zinc/17/58/77/1318175877.db2.gz GGDCCJSBYSERIP-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC(C)(C)C1 ZINC001021303488 1318179326 /nfs/dbraw/zinc/17/93/26/1318179326.db2.gz XPCNPFUWCXROSB-XVLXNVKGSA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1 ZINC001021303488 1318179331 /nfs/dbraw/zinc/17/93/31/1318179331.db2.gz XPCNPFUWCXROSB-XVLXNVKGSA-N 2 1 347.547 3.019 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000960033970 1318320729 /nfs/dbraw/zinc/32/07/29/1318320729.db2.gz VXOUZUNUEPKIQC-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+]1CCC2(CCC(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)CC1 ZINC000908498909 1318354499 /nfs/dbraw/zinc/35/44/99/1318354499.db2.gz NUZHTKRGRFVKRY-IBGZPJMESA-N 2 1 347.547 3.164 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC2=CCCCC2)CC[N@H+]1C ZINC000960641776 1318761868 /nfs/dbraw/zinc/76/18/68/1318761868.db2.gz GHDQKQCHDDOJTI-HSALFYBXSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[N@H+](C)CC2=CCCCC2)CC[NH+]1C ZINC000960641776 1318761870 /nfs/dbraw/zinc/76/18/70/1318761870.db2.gz GHDQKQCHDDOJTI-HSALFYBXSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2=CCCCC2)CC[NH+]1C ZINC000960641776 1318761878 /nfs/dbraw/zinc/76/18/78/1318761878.db2.gz GHDQKQCHDDOJTI-HSALFYBXSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCCC1 ZINC000960664725 1318781316 /nfs/dbraw/zinc/78/13/16/1318781316.db2.gz KRVYSTYWCORMBU-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCC1 ZINC000960664725 1318781323 /nfs/dbraw/zinc/78/13/23/1318781323.db2.gz KRVYSTYWCORMBU-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCC1 ZINC000960664725 1318781330 /nfs/dbraw/zinc/78/13/30/1318781330.db2.gz KRVYSTYWCORMBU-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCCC1 ZINC000960664722 1318781952 /nfs/dbraw/zinc/78/19/52/1318781952.db2.gz KRVYSTYWCORMBU-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCC1 ZINC000960664722 1318781960 /nfs/dbraw/zinc/78/19/60/1318781960.db2.gz KRVYSTYWCORMBU-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCC1 ZINC000960664722 1318781967 /nfs/dbraw/zinc/78/19/67/1318781967.db2.gz KRVYSTYWCORMBU-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCCC1)C1CCC1 ZINC000960667808 1318784231 /nfs/dbraw/zinc/78/42/31/1318784231.db2.gz KPBXOGJYUYEENK-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1)CC1CCCCCC1 ZINC000960667808 1318784238 /nfs/dbraw/zinc/78/42/38/1318784238.db2.gz KPBXOGJYUYEENK-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1)CC1CCCCCC1 ZINC000960667808 1318784244 /nfs/dbraw/zinc/78/42/44/1318784244.db2.gz KPBXOGJYUYEENK-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC000960678931 1318789249 /nfs/dbraw/zinc/78/92/49/1318789249.db2.gz BSHCVYXZTWGKOH-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC000960678931 1318789252 /nfs/dbraw/zinc/78/92/52/1318789252.db2.gz BSHCVYXZTWGKOH-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC000960678931 1318789257 /nfs/dbraw/zinc/78/92/57/1318789257.db2.gz BSHCVYXZTWGKOH-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CCc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC000960709401 1318811708 /nfs/dbraw/zinc/81/17/08/1318811708.db2.gz KTAFXPDFRMAQLM-VQTJNVASSA-N 2 1 345.531 3.012 20 0 EGADMP CCc1cccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@@H](CC)[NH+](C)C)c1 ZINC000960720897 1318830679 /nfs/dbraw/zinc/83/06/79/1318830679.db2.gz VGIOSLQPXOGGKU-WOJBJXKFSA-N 2 1 345.531 3.012 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000960833921 1318962125 /nfs/dbraw/zinc/96/21/25/1318962125.db2.gz OUGQVKGYDMPLQB-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000960833921 1318962129 /nfs/dbraw/zinc/96/21/29/1318962129.db2.gz OUGQVKGYDMPLQB-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000960833921 1318962134 /nfs/dbraw/zinc/96/21/34/1318962134.db2.gz OUGQVKGYDMPLQB-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000960868276 1319012658 /nfs/dbraw/zinc/01/26/58/1319012658.db2.gz ZUMVPIRTPUNOAL-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000960868276 1319012670 /nfs/dbraw/zinc/01/26/70/1319012670.db2.gz ZUMVPIRTPUNOAL-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000960868276 1319012684 /nfs/dbraw/zinc/01/26/84/1319012684.db2.gz ZUMVPIRTPUNOAL-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815584173 1319020381 /nfs/dbraw/zinc/02/03/81/1319020381.db2.gz XMYZEDVYBJJLDM-HLLBOEOZSA-N 2 1 331.460 3.167 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815584173 1319020387 /nfs/dbraw/zinc/02/03/87/1319020387.db2.gz XMYZEDVYBJJLDM-HLLBOEOZSA-N 2 1 331.460 3.167 20 0 EGADMP C[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1)[NH+]1CCCCCC1 ZINC000960916773 1319062928 /nfs/dbraw/zinc/06/29/28/1319062928.db2.gz NZCTUKXEXLJDRD-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](C[C@H]1CCCN1C(=O)Cc1ncc[nH]1)CC1CCC(C)(C)CC1 ZINC000960942977 1319080995 /nfs/dbraw/zinc/08/09/95/1319080995.db2.gz CJLFGJJSQBBNMI-QGZVFWFLSA-N 2 1 346.519 3.091 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1)CC1CCC(C)(C)CC1 ZINC000961031584 1319155977 /nfs/dbraw/zinc/15/59/77/1319155977.db2.gz ZQKPPQASLTYAID-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1)CC1CCC(C)(C)CC1 ZINC000961031584 1319155982 /nfs/dbraw/zinc/15/59/82/1319155982.db2.gz ZQKPPQASLTYAID-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)CC1CCC(C)(C)CC1 ZINC000961031584 1319155994 /nfs/dbraw/zinc/15/59/94/1319155994.db2.gz ZQKPPQASLTYAID-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1)c1ccccc1 ZINC000961031690 1319156248 /nfs/dbraw/zinc/15/62/48/1319156248.db2.gz MERPSVXQZQRGRK-UXHICEINSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1)c1ccccc1 ZINC000961031690 1319156249 /nfs/dbraw/zinc/15/62/49/1319156249.db2.gz MERPSVXQZQRGRK-UXHICEINSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)c1c[nH+]ccc1N ZINC000817896609 1319454911 /nfs/dbraw/zinc/45/49/11/1319454911.db2.gz LWLBYAIPNMMYJB-VFZGTOFNSA-N 2 1 326.227 3.185 20 0 EGADMP Fc1cnc(Cl)c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000817933809 1319465161 /nfs/dbraw/zinc/46/51/61/1319465161.db2.gz SWPCAICPCWHULY-MAUKXSAKSA-N 2 1 347.821 3.220 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950429 1319475299 /nfs/dbraw/zinc/47/52/99/1319475299.db2.gz YEIBLXJKWJXANI-PGRDOPGGSA-N 3 1 337.511 3.188 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950429 1319475302 /nfs/dbraw/zinc/47/53/02/1319475302.db2.gz YEIBLXJKWJXANI-PGRDOPGGSA-N 2 1 337.511 3.188 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023364882 1319476497 /nfs/dbraw/zinc/47/64/97/1319476497.db2.gz RXUXKYYRHTZEQJ-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001023364882 1319476503 /nfs/dbraw/zinc/47/65/03/1319476503.db2.gz RXUXKYYRHTZEQJ-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001023364882 1319476508 /nfs/dbraw/zinc/47/65/08/1319476508.db2.gz RXUXKYYRHTZEQJ-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817959835 1319478048 /nfs/dbraw/zinc/47/80/48/1319478048.db2.gz VWJUFXYOLARAED-HRCADAONSA-N 2 1 327.513 3.128 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023402915 1319510200 /nfs/dbraw/zinc/51/02/00/1319510200.db2.gz WPERMNGGTWZRPN-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001023402915 1319510211 /nfs/dbraw/zinc/51/02/11/1319510211.db2.gz WPERMNGGTWZRPN-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001023402915 1319510218 /nfs/dbraw/zinc/51/02/18/1319510218.db2.gz WPERMNGGTWZRPN-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961373588 1319529452 /nfs/dbraw/zinc/52/94/52/1319529452.db2.gz HZGSPLLBTNCEQL-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961373588 1319529459 /nfs/dbraw/zinc/52/94/59/1319529459.db2.gz HZGSPLLBTNCEQL-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000961373588 1319529468 /nfs/dbraw/zinc/52/94/68/1319529468.db2.gz HZGSPLLBTNCEQL-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961400270 1319555484 /nfs/dbraw/zinc/55/54/84/1319555484.db2.gz FZASSUUUNTYNSY-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000961421527 1319579262 /nfs/dbraw/zinc/57/92/62/1319579262.db2.gz NAESWNAJSNSYMU-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961434752 1319588965 /nfs/dbraw/zinc/58/89/65/1319588965.db2.gz HHDUWFGXFNXVNB-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000961434752 1319588970 /nfs/dbraw/zinc/58/89/70/1319588970.db2.gz HHDUWFGXFNXVNB-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000818959954 1319590030 /nfs/dbraw/zinc/59/00/30/1319590030.db2.gz BIBLIENODWJYEO-ZRGWGRIASA-N 2 1 340.458 3.346 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)c2c(F)cccc2F)C1 ZINC000818961220 1319592507 /nfs/dbraw/zinc/59/25/07/1319592507.db2.gz OJPBNZFJZPRZLD-DAYGRLMNSA-N 2 1 340.458 3.346 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000818965022 1319595573 /nfs/dbraw/zinc/59/55/73/1319595573.db2.gz CBFZNVKHSIKXSL-LRDDRELGSA-N 2 1 341.377 3.170 20 0 EGADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1F ZINC000818988310 1319606827 /nfs/dbraw/zinc/60/68/27/1319606827.db2.gz NUJNGXPVYPVMRG-KXBFYZLASA-N 2 1 348.487 3.422 20 0 EGADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1F ZINC000818988310 1319606838 /nfs/dbraw/zinc/60/68/38/1319606838.db2.gz NUJNGXPVYPVMRG-KXBFYZLASA-N 2 1 348.487 3.422 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646637 1319765695 /nfs/dbraw/zinc/76/56/95/1319765695.db2.gz PCQWTOOMSRDBNE-IBGZPJMESA-N 2 1 343.515 3.156 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC000961922082 1319773915 /nfs/dbraw/zinc/77/39/15/1319773915.db2.gz AESXDHCFPWDCNI-KVZIAJEVSA-N 2 1 349.563 3.170 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001023707003 1319836416 /nfs/dbraw/zinc/83/64/16/1319836416.db2.gz GGCBBKMLMHGDOO-INIZCTEOSA-N 2 1 346.519 3.026 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001023707003 1319836426 /nfs/dbraw/zinc/83/64/26/1319836426.db2.gz GGCBBKMLMHGDOO-INIZCTEOSA-N 2 1 346.519 3.026 20 0 EGADMP O=C(NC1CC(C[NH2+]CC2CCC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000962219570 1319864966 /nfs/dbraw/zinc/86/49/66/1319864966.db2.gz DDYLZVHGJZAWKU-AFMYVXGZSA-N 2 1 347.547 3.068 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023763591 1319911537 /nfs/dbraw/zinc/91/15/37/1319911537.db2.gz UREXTHOSFGCESL-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001023763591 1319911545 /nfs/dbraw/zinc/91/15/45/1319911545.db2.gz UREXTHOSFGCESL-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001023763591 1319911551 /nfs/dbraw/zinc/91/15/51/1319911551.db2.gz UREXTHOSFGCESL-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000822490552 1320087737 /nfs/dbraw/zinc/08/77/37/1320087737.db2.gz WRWOVSKAYAWHRD-IXDOHACOSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000840726155 1321135755 /nfs/dbraw/zinc/13/57/55/1321135755.db2.gz XDJCFYDVROVWFY-ROUUACIJSA-N 2 1 340.552 3.448 20 0 EGADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841032079 1321204029 /nfs/dbraw/zinc/20/40/29/1321204029.db2.gz JMEAVVGTGPNLHS-UWJYYQICSA-N 2 1 329.532 3.321 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)[C@@H](C)C1 ZINC000841764621 1321309231 /nfs/dbraw/zinc/30/92/31/1321309231.db2.gz XODGPPFZEBTFDJ-YLFCFFPRSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211789 1328947101 /nfs/dbraw/zinc/94/71/01/1328947101.db2.gz AGQFKSAEVPGVKU-UTKZUKDTSA-N 2 1 326.484 3.345 20 0 EGADMP CN(C)C(=O)c1ccccc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000841888038 1321326450 /nfs/dbraw/zinc/32/64/50/1321326450.db2.gz UMIIHLRRZOZPJR-UHFFFAOYSA-N 2 1 339.483 3.082 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)c2cc1C ZINC000842474217 1321393572 /nfs/dbraw/zinc/39/35/72/1321393572.db2.gz KIRYPKFPHUDFNJ-LPHOPBHVSA-N 2 1 340.467 3.374 20 0 EGADMP CCc1cc2oc(=O)cc(C[N@H+](C)C3CC[NH2+]CC3)c2cc1Cl ZINC000843346452 1321502537 /nfs/dbraw/zinc/50/25/37/1321502537.db2.gz ONDLSPGPOFWHBO-UHFFFAOYSA-N 2 1 334.847 3.193 20 0 EGADMP CCc1cc2oc(=O)cc(C[N@@H+](C)C3CC[NH2+]CC3)c2cc1Cl ZINC000843346452 1321502540 /nfs/dbraw/zinc/50/25/40/1321502540.db2.gz ONDLSPGPOFWHBO-UHFFFAOYSA-N 2 1 334.847 3.193 20 0 EGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)C1 ZINC000843349245 1321503552 /nfs/dbraw/zinc/50/35/52/1321503552.db2.gz OCVFEJWVKCLOBN-OAHLLOKOSA-N 2 1 328.456 3.266 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)C1 ZINC000843349245 1321503554 /nfs/dbraw/zinc/50/35/54/1321503554.db2.gz OCVFEJWVKCLOBN-OAHLLOKOSA-N 2 1 328.456 3.266 20 0 EGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccc(Cl)cc1F ZINC000843361530 1321506301 /nfs/dbraw/zinc/50/63/01/1321506301.db2.gz GCUGYAWYUOBLMP-AGUYFDCRSA-N 2 1 339.842 3.152 20 0 EGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccc(Cl)cc1F ZINC000843361530 1321506305 /nfs/dbraw/zinc/50/63/05/1321506305.db2.gz GCUGYAWYUOBLMP-AGUYFDCRSA-N 2 1 339.842 3.152 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)c2cc1C(C)C ZINC000843364897 1321506707 /nfs/dbraw/zinc/50/67/07/1321506707.db2.gz UHKJVHNQLIADDE-LSDHHAIUSA-N 2 1 328.456 3.394 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000843377593 1321508370 /nfs/dbraw/zinc/50/83/70/1321508370.db2.gz DWDTZNOIPVOJDU-LBPRGKRZSA-N 2 1 343.443 3.001 20 0 EGADMP CCCN(C(=O)C[C@H]([NH3+])C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000844173863 1321575805 /nfs/dbraw/zinc/57/58/05/1321575805.db2.gz BAHXXXQBVKQHCJ-PMACEKPBSA-N 2 1 343.515 3.017 20 0 EGADMP [NH3+]CCCCCC[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000846220508 1321777617 /nfs/dbraw/zinc/77/76/17/1321777617.db2.gz ITAKHBCCFYVQEJ-MRXNPFEDSA-N 2 1 328.403 3.180 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000846220508 1321777621 /nfs/dbraw/zinc/77/76/21/1321777621.db2.gz ITAKHBCCFYVQEJ-MRXNPFEDSA-N 2 1 328.403 3.180 20 0 EGADMP c1[nH+]c(C2CC[NH+](Cc3ccc4nonc4c3)CC2)n2c1CCCC2 ZINC000846880143 1321819705 /nfs/dbraw/zinc/81/97/05/1321819705.db2.gz RNKSMMQIPFSZCY-UHFFFAOYSA-N 2 1 337.427 3.135 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000848550180 1321974225 /nfs/dbraw/zinc/97/42/25/1321974225.db2.gz FCGMBTZNBZNWMX-XHSDSOJGSA-N 2 1 327.513 3.141 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000848550180 1321974229 /nfs/dbraw/zinc/97/42/29/1321974229.db2.gz FCGMBTZNBZNWMX-XHSDSOJGSA-N 2 1 327.513 3.141 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000848888762 1322030529 /nfs/dbraw/zinc/03/05/29/1322030529.db2.gz BJPCEGQEWGFNBU-RXVVDRJESA-N 2 1 329.532 3.268 20 0 EGADMP C[C@@H]1C[C@H](CCNC(=[NH2+])N2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000848989287 1322056736 /nfs/dbraw/zinc/05/67/36/1322056736.db2.gz LIIWUAWQXOMWTQ-MJGOQNOKSA-N 2 1 328.504 3.297 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])NC3CCCC3)cc2)C1 ZINC000848999433 1322057394 /nfs/dbraw/zinc/05/73/94/1322057394.db2.gz FJNNBFISUFUTCE-INIZCTEOSA-N 2 1 328.504 3.475 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccccc2)CCCC1 ZINC000849056729 1322060475 /nfs/dbraw/zinc/06/04/75/1322060475.db2.gz IJBUUPFJASSLQE-GOSISDBHSA-N 2 1 328.504 3.097 20 0 EGADMP C[N@H+]1CCC[C@H](CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000849116356 1322084632 /nfs/dbraw/zinc/08/46/32/1322084632.db2.gz NIJURSGFOAUYLE-GFCCVEGCSA-N 2 1 344.381 3.253 20 0 EGADMP CC1(C)CCC[N@H+]1CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000849117286 1322084839 /nfs/dbraw/zinc/08/48/39/1322084839.db2.gz YHRVGISVOVIXGI-UHFFFAOYSA-N 2 1 342.409 3.194 20 0 EGADMP C[C@H](NC(=[NH2+])NCC1([NH+](C)C)CC1)c1ccc(Cl)cc1Cl ZINC000849117365 1322085082 /nfs/dbraw/zinc/08/50/82/1322085082.db2.gz BEYGKNDZKBBZMT-JTQLQIEISA-N 2 1 329.275 3.263 20 0 EGADMP CCOC(=O)NC1CCC([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000850432540 1322247575 /nfs/dbraw/zinc/24/75/75/1322247575.db2.gz ZTVGXJYKNPTIGS-UHFFFAOYSA-N 2 1 347.503 3.285 20 0 EGADMP CCOC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000850447157 1322251656 /nfs/dbraw/zinc/25/16/56/1322251656.db2.gz HQNAQQYHNAURRJ-WWDZGPRUSA-N 2 1 339.524 3.001 20 0 EGADMP CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000921496536 1322329552 /nfs/dbraw/zinc/32/95/52/1322329552.db2.gz WDYXRYCNNZJWKP-RTBURBONSA-N 2 1 334.529 3.283 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc(C(=O)N(C)C)c2)c1 ZINC000921686697 1322378921 /nfs/dbraw/zinc/37/89/21/1322378921.db2.gz OHGHXCVFBJRYSM-UHFFFAOYSA-N 2 1 339.483 3.130 20 0 EGADMP FC(F)(F)c1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923312758 1322731149 /nfs/dbraw/zinc/73/11/49/1322731149.db2.gz PWTGOKKIFUBLMM-XJKSGUPXSA-N 2 1 340.389 3.221 20 0 EGADMP [NH3+]C[C@@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)C1CCCCC1 ZINC000923375185 1322742195 /nfs/dbraw/zinc/74/21/95/1322742195.db2.gz ZCFRXIXKCNDIJI-NHCUHLMSSA-N 2 1 326.484 3.240 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1C[C@H](O)Cc1ccc3ccccc3c1)CC[NH2+]CC2 ZINC000923384026 1322743515 /nfs/dbraw/zinc/74/35/15/1322743515.db2.gz QTSRIVFWFSLIOR-DYESRHJHSA-N 2 1 338.495 3.207 20 0 EGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1)C1CCCC1 ZINC000923423523 1322749103 /nfs/dbraw/zinc/74/91/03/1322749103.db2.gz XIHARZROWQGTOF-CDHQVMDDSA-N 2 1 334.479 3.479 20 0 EGADMP Cn1nc(C(F)(F)F)cc1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923507780 1322765183 /nfs/dbraw/zinc/76/51/83/1322765183.db2.gz HEBSOWYQMUMXQZ-ZDUSSCGKSA-N 2 1 344.425 3.041 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)o2)C1 ZINC000931118514 1329055053 /nfs/dbraw/zinc/05/50/53/1329055053.db2.gz VICUVPQOCSQVRR-QGZVFWFLSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000931123364 1329055543 /nfs/dbraw/zinc/05/55/43/1329055543.db2.gz DWUGWIMBOLZUJE-UHFFFAOYSA-N 2 1 347.503 3.212 20 0 EGADMP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CCC[N@@H+](C)Cc2ccccc2)cn1 ZINC000924578529 1323060558 /nfs/dbraw/zinc/06/05/58/1323060558.db2.gz BBAKXRDPBKRZRI-NHCUHLMSSA-N 2 1 340.515 3.243 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024040389 1323091241 /nfs/dbraw/zinc/09/12/41/1323091241.db2.gz HEVQWFMOUPNNGT-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000924673826 1323106141 /nfs/dbraw/zinc/10/61/41/1323106141.db2.gz YSSAKSKTSATWIH-FUHIMQAGSA-N 2 1 343.515 3.208 20 0 EGADMP Cc1nccn1-c1ccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)cn1 ZINC000924724841 1323134601 /nfs/dbraw/zinc/13/46/01/1323134601.db2.gz SFHBKLOITVLRRD-UHFFFAOYSA-N 2 1 341.503 3.176 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC000963158366 1323220975 /nfs/dbraw/zinc/22/09/75/1323220975.db2.gz XBKFHCUHAXBBCJ-MHJFOBGBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000925018913 1323246870 /nfs/dbraw/zinc/24/68/70/1323246870.db2.gz GPFRUJKIRLAAIO-VQIMIIECSA-N 2 1 335.536 3.044 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cn(C)cn3)CC2)cs1 ZINC000925032986 1323251093 /nfs/dbraw/zinc/25/10/93/1323251093.db2.gz YJFAAFBYFSLZIU-AWEZNQCLSA-N 2 1 347.532 3.002 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024436258 1323396487 /nfs/dbraw/zinc/39/64/87/1323396487.db2.gz AUTWWCNFQAPBIA-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001024436258 1323396493 /nfs/dbraw/zinc/39/64/93/1323396493.db2.gz AUTWWCNFQAPBIA-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC(C)(C)C1 ZINC001024436258 1323396499 /nfs/dbraw/zinc/39/64/99/1323396499.db2.gz AUTWWCNFQAPBIA-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024436642 1323396658 /nfs/dbraw/zinc/39/66/58/1323396658.db2.gz GIILTAKNXAGHQU-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC001024436642 1323396666 /nfs/dbraw/zinc/39/66/66/1323396666.db2.gz GIILTAKNXAGHQU-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCC1CCC1 ZINC001024436642 1323396674 /nfs/dbraw/zinc/39/66/74/1323396674.db2.gz GIILTAKNXAGHQU-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024470401 1323424643 /nfs/dbraw/zinc/42/46/43/1323424643.db2.gz ZMHSLHXJWVHHNX-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001024470401 1323424647 /nfs/dbraw/zinc/42/46/47/1323424647.db2.gz ZMHSLHXJWVHHNX-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001024470401 1323424651 /nfs/dbraw/zinc/42/46/51/1323424651.db2.gz ZMHSLHXJWVHHNX-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001024524768 1323470468 /nfs/dbraw/zinc/47/04/68/1323470468.db2.gz ZWCUFYQWYGBOIV-MOPGFXCFSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024524768 1323470473 /nfs/dbraw/zinc/47/04/73/1323470473.db2.gz ZWCUFYQWYGBOIV-MOPGFXCFSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024524768 1323470476 /nfs/dbraw/zinc/47/04/76/1323470476.db2.gz ZWCUFYQWYGBOIV-MOPGFXCFSA-N 2 1 335.536 3.044 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CCC2CCCCC2)CC1 ZINC001024634757 1323559968 /nfs/dbraw/zinc/55/99/68/1323559968.db2.gz XQGXLSVRIADNIP-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2CCC(C)(C)CC2)C1 ZINC001024801237 1323704108 /nfs/dbraw/zinc/70/41/08/1323704108.db2.gz LMMMILBAXPLLAS-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CCC(C)(C)CC2)C1 ZINC001024801237 1323704111 /nfs/dbraw/zinc/70/41/11/1323704111.db2.gz LMMMILBAXPLLAS-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC2CCC(C)(C)CC2)C1 ZINC001024801237 1323704116 /nfs/dbraw/zinc/70/41/16/1323704116.db2.gz LMMMILBAXPLLAS-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811606 1323713096 /nfs/dbraw/zinc/71/30/96/1323713096.db2.gz VBJWHMJAKPXMND-YLJYHZDGSA-N 2 1 345.531 3.379 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811597 1323714403 /nfs/dbraw/zinc/71/44/03/1323714403.db2.gz VBJWHMJAKPXMND-FXAWDEMLSA-N 2 1 345.531 3.379 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001025003581 1323821909 /nfs/dbraw/zinc/82/19/09/1323821909.db2.gz SZEOPOOZSNKBSE-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(NC(=O)OC(C)(C)C)c3)C[C@@H]2C1 ZINC000931440229 1329118221 /nfs/dbraw/zinc/11/82/21/1329118221.db2.gz RVMWXRMFADPYNN-SJORKVTESA-N 2 1 345.487 3.417 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001025109164 1323899702 /nfs/dbraw/zinc/89/97/02/1323899702.db2.gz QABDBWQAJSMSGM-QFBILLFUSA-N 2 1 344.503 3.059 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001025168762 1323937097 /nfs/dbraw/zinc/93/70/97/1323937097.db2.gz UQWGBJZJUDYKNZ-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025239180 1324030476 /nfs/dbraw/zinc/03/04/76/1324030476.db2.gz CJOOBCVKUPTEAQ-MSOLQXFVSA-N 2 1 335.536 3.116 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+]1CCC1CC1)C1CCC1 ZINC001025240338 1324033982 /nfs/dbraw/zinc/03/39/82/1324033982.db2.gz NMSRAECHGVPIIT-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CCC1CC1)C1CCC1 ZINC001025240338 1324033989 /nfs/dbraw/zinc/03/39/89/1324033989.db2.gz NMSRAECHGVPIIT-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+]1CCC1CC1)C1CCC1 ZINC001025240338 1324033994 /nfs/dbraw/zinc/03/39/94/1324033994.db2.gz NMSRAECHGVPIIT-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025527031 1324371697 /nfs/dbraw/zinc/37/16/97/1324371697.db2.gz DEJZFMBCXMPWME-PXNSSMCTSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000931586588 1329149826 /nfs/dbraw/zinc/14/98/26/1329149826.db2.gz JDPUBVNTGBVDGK-IBGZPJMESA-N 2 1 344.503 3.004 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C(C)C)C2)o1 ZINC001025630759 1324482895 /nfs/dbraw/zinc/48/28/95/1324482895.db2.gz VRUTXLNJOJSGAQ-DLBZAZTESA-N 2 1 349.519 3.360 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026507656 1324855640 /nfs/dbraw/zinc/85/56/40/1324855640.db2.gz YNYQZIOGVVUHTE-SOAGJPPSSA-N 2 1 349.563 3.457 20 0 EGADMP Cc1cc(C[NH2+]C2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)cs1 ZINC001026561299 1324896787 /nfs/dbraw/zinc/89/67/87/1324896787.db2.gz VASQPGMJTPISKK-RWBZWWBESA-N 2 1 349.544 3.058 20 0 EGADMP O=C(NC1CCC([NH2+]CC2CCCCC2)CC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001026598942 1324923896 /nfs/dbraw/zinc/92/38/96/1324923896.db2.gz CZJZGINGXGZXMR-GRERDSQWSA-N 2 1 347.547 3.070 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000963307513 1325089288 /nfs/dbraw/zinc/08/92/88/1325089288.db2.gz YXGVFDQKDRWANE-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963329223 1325113411 /nfs/dbraw/zinc/11/34/11/1325113411.db2.gz XCUKRQXJEBCKEV-HKUYNNGSSA-N 2 1 340.471 3.061 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328705 1325113439 /nfs/dbraw/zinc/11/34/39/1325113439.db2.gz RTRWEPYXSUGLMH-OALUTQOASA-N 2 1 347.547 3.118 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC001027014414 1325155537 /nfs/dbraw/zinc/15/55/37/1325155537.db2.gz BMWUSJOXWUDFDS-WOJBJXKFSA-N 2 1 349.563 3.127 20 0 EGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000925523110 1325189346 /nfs/dbraw/zinc/18/93/46/1325189346.db2.gz WPLZIJZGTGKEIL-DOIVMEMASA-N 3 1 327.516 3.004 20 0 EGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000925523110 1325189349 /nfs/dbraw/zinc/18/93/49/1325189349.db2.gz WPLZIJZGTGKEIL-DOIVMEMASA-N 2 1 327.516 3.004 20 0 EGADMP Cc1sc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)nc1-c1ccccc1 ZINC000925587803 1325222010 /nfs/dbraw/zinc/22/20/10/1325222010.db2.gz KBWQKDVWNXIHBB-HRYJEPKJSA-N 2 1 339.508 3.247 20 0 EGADMP CC(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000963420090 1325229981 /nfs/dbraw/zinc/22/99/81/1325229981.db2.gz HLXGAZTXEVNHPX-QLOJAFMTSA-N 2 1 349.563 3.409 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925666751 1325256142 /nfs/dbraw/zinc/25/61/42/1325256142.db2.gz QXWWZGRLZMZUKF-RTBURBONSA-N 2 1 327.516 3.161 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cn(C)cn1 ZINC000926137298 1325443292 /nfs/dbraw/zinc/44/32/92/1325443292.db2.gz SPVHMQVPWYLWNQ-FRYIKTPZSA-N 2 1 338.499 3.371 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cn(C)cn1 ZINC000926137298 1325443297 /nfs/dbraw/zinc/44/32/97/1325443297.db2.gz SPVHMQVPWYLWNQ-FRYIKTPZSA-N 2 1 338.499 3.371 20 0 EGADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NCCC[NH+]3CCCCC3)c2)C1 ZINC000856742932 1325518622 /nfs/dbraw/zinc/51/86/22/1325518622.db2.gz QRYQRWKKFLMTIF-HXUWFJFHSA-N 2 1 343.515 3.102 20 0 EGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857140681 1325579447 /nfs/dbraw/zinc/57/94/47/1325579447.db2.gz BGYRMROJVQGXSR-VQTJNVASSA-N 2 1 343.515 3.052 20 0 EGADMP CC(C)CN(CC[NH+](C)C)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857156842 1325584849 /nfs/dbraw/zinc/58/48/49/1325584849.db2.gz YQWLAVMKVXXPJM-FQEVSTJZSA-N 2 1 345.531 3.156 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC001027430377 1327668643 /nfs/dbraw/zinc/66/86/43/1327668643.db2.gz RVPFWGYTVWFRSK-QGZVFWFLSA-N 2 1 349.544 3.146 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027433691 1327674581 /nfs/dbraw/zinc/67/45/81/1327674581.db2.gz BQXMJELFFPNYRD-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027433691 1327674591 /nfs/dbraw/zinc/67/45/91/1327674591.db2.gz BQXMJELFFPNYRD-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027433691 1327674599 /nfs/dbraw/zinc/67/45/99/1327674599.db2.gz BQXMJELFFPNYRD-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(Br)n1 ZINC000926752089 1327700271 /nfs/dbraw/zinc/70/02/71/1327700271.db2.gz CYDQOXVDLZHBAV-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(Br)n1 ZINC000926752089 1327700278 /nfs/dbraw/zinc/70/02/78/1327700278.db2.gz CYDQOXVDLZHBAV-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP C[N@@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577755 1327914224 /nfs/dbraw/zinc/91/42/24/1327914224.db2.gz SKMNEFQSNJJNFL-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCC1)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001027577755 1327914230 /nfs/dbraw/zinc/91/42/30/1327914230.db2.gz SKMNEFQSNJJNFL-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCC1)[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001027577755 1327914239 /nfs/dbraw/zinc/91/42/39/1327914239.db2.gz SKMNEFQSNJJNFL-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH+](C)CC3CCCCCC3)C2)C1 ZINC001027576533 1327914355 /nfs/dbraw/zinc/91/43/55/1327914355.db2.gz QNPWRAACKYJLNX-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H]([N@H+](C)CC3CCCCCC3)C2)C1 ZINC001027576533 1327914362 /nfs/dbraw/zinc/91/43/62/1327914362.db2.gz QNPWRAACKYJLNX-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H]([N@@H+](C)CC3CCCCCC3)C2)C1 ZINC001027576533 1327914370 /nfs/dbraw/zinc/91/43/70/1327914370.db2.gz QNPWRAACKYJLNX-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2 ZINC000965812295 1328036315 /nfs/dbraw/zinc/03/63/15/1328036315.db2.gz AWBPOFAOARAMRJ-FCOWATRHSA-N 2 1 347.547 3.068 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC001027693466 1328099309 /nfs/dbraw/zinc/09/93/09/1328099309.db2.gz ZCEKXUXBVUUARC-IBGZPJMESA-N 2 1 343.515 3.085 20 0 EGADMP C[C@H]1CC[N@@H+](CCC2CC2)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000966485321 1328318156 /nfs/dbraw/zinc/31/81/56/1328318156.db2.gz AIIIERHHKSNBDO-WMLDXEAASA-N 2 1 349.544 3.050 20 0 EGADMP C[C@H]1CC[N@H+](CCC2CC2)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000966485321 1328318149 /nfs/dbraw/zinc/31/81/49/1328318149.db2.gz AIIIERHHKSNBDO-WMLDXEAASA-N 2 1 349.544 3.050 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001027918260 1328397972 /nfs/dbraw/zinc/39/79/72/1328397972.db2.gz LNNYTUDOQVPVSU-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001027918260 1328397980 /nfs/dbraw/zinc/39/79/80/1328397980.db2.gz LNNYTUDOQVPVSU-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001027918260 1328397987 /nfs/dbraw/zinc/39/79/87/1328397987.db2.gz LNNYTUDOQVPVSU-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052486905 1348553981 /nfs/dbraw/zinc/55/39/81/1348553981.db2.gz QMOKTYMKQVQQFN-GOSISDBHSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+](CCCCNC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)C1CC1 ZINC000934084257 1329945634 /nfs/dbraw/zinc/94/56/34/1329945634.db2.gz DSYCULQIZDQPQF-UHFFFAOYSA-N 2 1 345.491 3.068 20 0 EGADMP C[N@@H+](CCCCNC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)C1CC1 ZINC000934084257 1329945635 /nfs/dbraw/zinc/94/56/35/1329945635.db2.gz DSYCULQIZDQPQF-UHFFFAOYSA-N 2 1 345.491 3.068 20 0 EGADMP CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1)CC1CC1 ZINC000935215941 1330035926 /nfs/dbraw/zinc/03/59/26/1330035926.db2.gz NOGSCMJYQINUGU-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1)CC1CC1 ZINC000935215941 1330035928 /nfs/dbraw/zinc/03/59/28/1330035928.db2.gz NOGSCMJYQINUGU-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1)CC1CC1 ZINC000935215941 1330035929 /nfs/dbraw/zinc/03/59/29/1330035929.db2.gz NOGSCMJYQINUGU-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP COc1ccccc1-c1nc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)co1 ZINC000866667265 1330139635 /nfs/dbraw/zinc/13/96/35/1330139635.db2.gz HEOUPSBQCKQRHA-ZNMIVQPWSA-N 2 1 329.444 3.155 20 0 EGADMP COc1ccccc1-c1nc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)co1 ZINC000866667265 1330139636 /nfs/dbraw/zinc/13/96/36/1330139636.db2.gz HEOUPSBQCKQRHA-ZNMIVQPWSA-N 2 1 329.444 3.155 20 0 EGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000866706027 1330143579 /nfs/dbraw/zinc/14/35/79/1330143579.db2.gz FGASUHMGRUBWOO-SFHVURJKSA-N 2 1 347.894 3.118 20 0 EGADMP Cc1nc[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)CC1(C)C ZINC000941186286 1331376388 /nfs/dbraw/zinc/37/63/88/1331376388.db2.gz IATWKAHPSZHNQD-SFHVURJKSA-N 2 1 346.519 3.058 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C(C)C)CC2(C)C)o1 ZINC000941244758 1331409311 /nfs/dbraw/zinc/40/93/11/1331409311.db2.gz NYDWEZDJQAOTEE-SFHVURJKSA-N 2 1 349.519 3.360 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCC2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942258547 1331889941 /nfs/dbraw/zinc/88/99/41/1331889941.db2.gz PULGTHJNZAMLAP-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942530487 1331958895 /nfs/dbraw/zinc/95/88/95/1331958895.db2.gz SLCSHNJFVRHUEA-YLJYHZDGSA-N 2 1 345.531 3.031 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556102 1331971860 /nfs/dbraw/zinc/97/18/60/1331971860.db2.gz VQHXVJDUPOEBGG-SJORKVTESA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597020 1331995662 /nfs/dbraw/zinc/99/56/62/1331995662.db2.gz HXSAMRBSQNAGGT-XLIONFOSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943286784 1332138296 /nfs/dbraw/zinc/13/82/96/1332138296.db2.gz GHUBIKAHXBHTGZ-AEFFLSMTSA-N 2 1 348.535 3.269 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943286784 1332138298 /nfs/dbraw/zinc/13/82/98/1332138298.db2.gz GHUBIKAHXBHTGZ-AEFFLSMTSA-N 2 1 348.535 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H](C)CC)C[C@H]2CC1 ZINC000946615558 1332863545 /nfs/dbraw/zinc/86/35/45/1332863545.db2.gz NYEIHQUCBIVDCN-YSTOQKLRSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)CC)C[C@H]2CC1 ZINC000946615558 1332863549 /nfs/dbraw/zinc/86/35/49/1332863549.db2.gz NYEIHQUCBIVDCN-YSTOQKLRSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)CC)C[C@H]2CC1 ZINC000946615558 1332863552 /nfs/dbraw/zinc/86/35/52/1332863552.db2.gz NYEIHQUCBIVDCN-YSTOQKLRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623892 1332865115 /nfs/dbraw/zinc/86/51/15/1332865115.db2.gz SDWZJTWEPUOLON-ZCNNSNEGSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623892 1332865117 /nfs/dbraw/zinc/86/51/17/1332865117.db2.gz SDWZJTWEPUOLON-ZCNNSNEGSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623892 1332865119 /nfs/dbraw/zinc/86/51/19/1332865119.db2.gz SDWZJTWEPUOLON-ZCNNSNEGSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947474086 1333142437 /nfs/dbraw/zinc/14/24/37/1333142437.db2.gz QGWREVRRANMNSY-NVXWUHKLSA-N 2 1 340.471 3.192 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CCC1CCCC1 ZINC000947726605 1333242104 /nfs/dbraw/zinc/24/21/04/1333242104.db2.gz RFHFKBZQBXYMBH-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CCC1CCCC1 ZINC000947726605 1333242106 /nfs/dbraw/zinc/24/21/06/1333242106.db2.gz RFHFKBZQBXYMBH-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CCC1CCCC1 ZINC000947726605 1333242107 /nfs/dbraw/zinc/24/21/07/1333242107.db2.gz RFHFKBZQBXYMBH-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCCC1CCC1 ZINC000947774789 1333258043 /nfs/dbraw/zinc/25/80/43/1333258043.db2.gz GKCNWSCTBPVYPM-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCC1CCCCC1 ZINC000948038765 1333349502 /nfs/dbraw/zinc/34/95/02/1333349502.db2.gz BGFFDHHTLSWGKX-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948056588 1333357991 /nfs/dbraw/zinc/35/79/91/1333357991.db2.gz LTDUVXOOLALZBG-FXAWDEMLSA-N 2 1 343.515 3.297 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1CC1CCC1 ZINC000948064406 1333360996 /nfs/dbraw/zinc/36/09/96/1333360996.db2.gz CAVUZHUNHNLNNJ-APWZRJJASA-N 2 1 343.515 3.131 20 0 EGADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC000948243660 1333439077 /nfs/dbraw/zinc/43/90/77/1333439077.db2.gz BSLGBTZJWAWNKD-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC000948243660 1333439078 /nfs/dbraw/zinc/43/90/78/1333439078.db2.gz BSLGBTZJWAWNKD-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC000948243660 1333439079 /nfs/dbraw/zinc/43/90/79/1333439079.db2.gz BSLGBTZJWAWNKD-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](CCCC3CCC3)CC2)CC[N@H+]1C ZINC000948386075 1333504254 /nfs/dbraw/zinc/50/42/54/1333504254.db2.gz SKFMCYXMSYRRNO-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CCCC3CCC3)CC2)CC[NH+]1C ZINC000948386075 1333504259 /nfs/dbraw/zinc/50/42/59/1333504259.db2.gz SKFMCYXMSYRRNO-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CCCC3CCC3)CC2)CC[NH+]1C ZINC000948386075 1333504263 /nfs/dbraw/zinc/50/42/63/1333504263.db2.gz SKFMCYXMSYRRNO-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[NH+](CC(C)C)CC1 ZINC000948574344 1333582698 /nfs/dbraw/zinc/58/26/98/1333582698.db2.gz FILLMZOSIXEVMO-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC(C)C)CC1 ZINC000948574344 1333582700 /nfs/dbraw/zinc/58/27/00/1333582700.db2.gz FILLMZOSIXEVMO-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC(C)C)CC1 ZINC000948574344 1333582703 /nfs/dbraw/zinc/58/27/03/1333582703.db2.gz FILLMZOSIXEVMO-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948591241 1333587594 /nfs/dbraw/zinc/58/75/94/1333587594.db2.gz TUUURKXWHKHYDR-QGZVFWFLSA-N 2 1 328.460 3.061 20 0 EGADMP CC[C@H](F)C[N@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948594439 1333588736 /nfs/dbraw/zinc/58/87/36/1333588736.db2.gz MENNHKLHFNDQCV-IRXDYDNUSA-N 2 1 346.450 3.009 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC000948637689 1333606757 /nfs/dbraw/zinc/60/67/57/1333606757.db2.gz MTOABXTWDZBFEL-VQTJNVASSA-N 2 1 343.515 3.156 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC000948637689 1333606759 /nfs/dbraw/zinc/60/67/59/1333606759.db2.gz MTOABXTWDZBFEL-VQTJNVASSA-N 2 1 343.515 3.156 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829517 1333701563 /nfs/dbraw/zinc/70/15/63/1333701563.db2.gz PBWSKWPAHZTOQX-RTBURBONSA-N 2 1 337.552 3.362 20 0 EGADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829517 1333701565 /nfs/dbraw/zinc/70/15/65/1333701565.db2.gz PBWSKWPAHZTOQX-RTBURBONSA-N 2 1 337.552 3.362 20 0 EGADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000948829517 1333701567 /nfs/dbraw/zinc/70/15/67/1333701567.db2.gz PBWSKWPAHZTOQX-RTBURBONSA-N 2 1 337.552 3.362 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000948858641 1333711647 /nfs/dbraw/zinc/71/16/47/1333711647.db2.gz MZMAMTUAXWCKIT-UXHICEINSA-N 2 1 343.515 3.156 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1C[NH+](CCCC2CCCC2)C1 ZINC000950063319 1334006187 /nfs/dbraw/zinc/00/61/87/1334006187.db2.gz HXCMGLKWGPZUML-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1C[NH+](CCCC2CCCC2)C1 ZINC000950063319 1334006190 /nfs/dbraw/zinc/00/61/90/1334006190.db2.gz HXCMGLKWGPZUML-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1C[NH+](CCC2CCCC2)C1 ZINC000950616186 1334097799 /nfs/dbraw/zinc/09/77/99/1334097799.db2.gz SURYFTWAIKWYGQ-QUCCMNQESA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CC[N@H+](CCC(C)(C)C)C[C@@H]1NC(=O)c1occc1C[NH+](C)C ZINC000968062190 1335850323 /nfs/dbraw/zinc/85/03/23/1335850323.db2.gz UIHVYFLPAGRGPV-WBVHZDCISA-N 2 1 349.519 3.218 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC(C)(C)C)C[C@@H]1NC(=O)c1occc1C[NH+](C)C ZINC000968062190 1335850324 /nfs/dbraw/zinc/85/03/24/1335850324.db2.gz UIHVYFLPAGRGPV-WBVHZDCISA-N 2 1 349.519 3.218 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC2CCCC2)C[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968378675 1335910276 /nfs/dbraw/zinc/91/02/76/1335910276.db2.gz RMASRTQULDKLAY-XLIONFOSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417290 1335924464 /nfs/dbraw/zinc/92/44/64/1335924464.db2.gz FEFRCHAHGGFDBC-YLJYHZDGSA-N 2 1 343.515 3.155 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@@H+](CC(C)C)CC[C@H]2C)o1 ZINC000968688696 1336012229 /nfs/dbraw/zinc/01/22/29/1336012229.db2.gz NHYHZFCKIABTIZ-AEFFLSMTSA-N 2 1 349.519 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC[N@H+]1C ZINC000968738433 1336033366 /nfs/dbraw/zinc/03/33/66/1336033366.db2.gz VQJUZPUEOOEPEP-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968934182 1336095229 /nfs/dbraw/zinc/09/52/29/1336095229.db2.gz OSQDYCIMYCPRJS-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118371 1336150427 /nfs/dbraw/zinc/15/04/27/1336150427.db2.gz NETVHHPPQCIUNO-SJORKVTESA-N 2 1 346.519 3.168 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118371 1336150428 /nfs/dbraw/zinc/15/04/28/1336150428.db2.gz NETVHHPPQCIUNO-SJORKVTESA-N 2 1 346.519 3.168 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2=CCCCC2)C1 ZINC000970528725 1336317827 /nfs/dbraw/zinc/31/78/27/1336317827.db2.gz JGKCRAJZCMLAFN-FXAWDEMLSA-N 2 1 347.547 3.186 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C2CC[NH+](C[C@@H](C)CC)CC2)C1 ZINC001005869566 1336413266 /nfs/dbraw/zinc/41/32/66/1336413266.db2.gz ADVSUSNHJATVFV-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001005883779 1336415629 /nfs/dbraw/zinc/41/56/29/1336415629.db2.gz GUGUWOBVVPDIDB-WMZOPIPTSA-N 2 1 337.552 3.076 20 0 EGADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005995938 1336435492 /nfs/dbraw/zinc/43/54/92/1336435492.db2.gz AJNKITOTVWHMBK-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001006084115 1336449646 /nfs/dbraw/zinc/44/96/46/1336449646.db2.gz MUUUQNFEKVGQFJ-PKOBYXMFSA-N 2 1 337.552 3.218 20 0 EGADMP CC1CCC(C[NH+]2CCC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001006294087 1336485039 /nfs/dbraw/zinc/48/50/39/1336485039.db2.gz KNXWVAWYSWNJDH-ACBHZAAOSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007458339 1336651181 /nfs/dbraw/zinc/65/11/81/1336651181.db2.gz WFISSIARJNAFAW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001007458339 1336651182 /nfs/dbraw/zinc/65/11/82/1336651182.db2.gz WFISSIARJNAFAW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001007500819 1336658286 /nfs/dbraw/zinc/65/82/86/1336658286.db2.gz VUDAEOGCIAHUHG-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001007500819 1336658287 /nfs/dbraw/zinc/65/82/87/1336658287.db2.gz VUDAEOGCIAHUHG-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001007500819 1336658288 /nfs/dbraw/zinc/65/82/88/1336658288.db2.gz VUDAEOGCIAHUHG-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001007500848 1336658409 /nfs/dbraw/zinc/65/84/09/1336658409.db2.gz WCURWXOTILAMNU-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001007500848 1336658412 /nfs/dbraw/zinc/65/84/12/1336658412.db2.gz WCURWXOTILAMNU-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001007500848 1336658414 /nfs/dbraw/zinc/65/84/14/1336658414.db2.gz WCURWXOTILAMNU-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007499165 1336658922 /nfs/dbraw/zinc/65/89/22/1336658922.db2.gz OLSXSLZVCGPFHR-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007499165 1336658923 /nfs/dbraw/zinc/65/89/23/1336658923.db2.gz OLSXSLZVCGPFHR-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007499165 1336658925 /nfs/dbraw/zinc/65/89/25/1336658925.db2.gz OLSXSLZVCGPFHR-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007498690 1336658973 /nfs/dbraw/zinc/65/89/73/1336658973.db2.gz LOESSXNLCINIGL-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007498690 1336658975 /nfs/dbraw/zinc/65/89/75/1336658975.db2.gz LOESSXNLCINIGL-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001007498690 1336658978 /nfs/dbraw/zinc/65/89/78/1336658978.db2.gz LOESSXNLCINIGL-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001007751553 1336694633 /nfs/dbraw/zinc/69/46/33/1336694633.db2.gz ZYWKZSXVTLEXIL-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001007751553 1336694634 /nfs/dbraw/zinc/69/46/34/1336694634.db2.gz ZYWKZSXVTLEXIL-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001007751553 1336694638 /nfs/dbraw/zinc/69/46/38/1336694638.db2.gz ZYWKZSXVTLEXIL-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cc1 ZINC001007946943 1336737313 /nfs/dbraw/zinc/73/73/13/1336737313.db2.gz FUDKXDZXHXYZCJ-LJQANCHMSA-N 2 1 348.450 3.037 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008299050 1336817653 /nfs/dbraw/zinc/81/76/53/1336817653.db2.gz MDQVYZZVRACFBX-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008299050 1336817655 /nfs/dbraw/zinc/81/76/55/1336817655.db2.gz MDQVYZZVRACFBX-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008299050 1336817658 /nfs/dbraw/zinc/81/76/58/1336817658.db2.gz MDQVYZZVRACFBX-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001008549973 1336879314 /nfs/dbraw/zinc/87/93/14/1336879314.db2.gz IEWUZJOOJVUOHC-IBGZPJMESA-N 2 1 347.547 3.189 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001009635814 1337050929 /nfs/dbraw/zinc/05/09/29/1337050929.db2.gz MMZJQQVHNQVQRF-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001009635814 1337050931 /nfs/dbraw/zinc/05/09/31/1337050931.db2.gz MMZJQQVHNQVQRF-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001009635814 1337050933 /nfs/dbraw/zinc/05/09/33/1337050933.db2.gz MMZJQQVHNQVQRF-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009680161 1337059014 /nfs/dbraw/zinc/05/90/14/1337059014.db2.gz FMVAZJPRWLCRNI-IAGOWNOFSA-N 2 1 349.519 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014415571 1337771142 /nfs/dbraw/zinc/77/11/42/1337771142.db2.gz VMLOZZKVMFBHNC-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001014415571 1337771143 /nfs/dbraw/zinc/77/11/43/1337771143.db2.gz VMLOZZKVMFBHNC-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001014415571 1337771144 /nfs/dbraw/zinc/77/11/44/1337771144.db2.gz VMLOZZKVMFBHNC-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001014426349 1337775098 /nfs/dbraw/zinc/77/50/98/1337775098.db2.gz QYBWIVDCYOPUDT-LJQANCHMSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001014706754 1337877126 /nfs/dbraw/zinc/87/71/26/1337877126.db2.gz ROMQQMRWDNMOJV-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001014706754 1337877130 /nfs/dbraw/zinc/87/71/30/1337877130.db2.gz ROMQQMRWDNMOJV-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001014706754 1337877133 /nfs/dbraw/zinc/87/71/33/1337877133.db2.gz ROMQQMRWDNMOJV-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001014720239 1337882823 /nfs/dbraw/zinc/88/28/23/1337882823.db2.gz CMSZLPQTDJFMTM-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001014720239 1337882826 /nfs/dbraw/zinc/88/28/26/1337882826.db2.gz CMSZLPQTDJFMTM-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001014720239 1337882832 /nfs/dbraw/zinc/88/28/32/1337882832.db2.gz CMSZLPQTDJFMTM-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)cs1 ZINC001015791872 1338312354 /nfs/dbraw/zinc/31/23/54/1338312354.db2.gz OJFVABVSEQFXTA-ROUUACIJSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)cs1 ZINC001015791872 1338312359 /nfs/dbraw/zinc/31/23/59/1338312359.db2.gz OJFVABVSEQFXTA-ROUUACIJSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)cs1 ZINC001015791872 1338312363 /nfs/dbraw/zinc/31/23/63/1338312363.db2.gz OJFVABVSEQFXTA-ROUUACIJSA-N 2 1 349.544 3.010 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016615798 1338664894 /nfs/dbraw/zinc/66/48/94/1338664894.db2.gz XSAKJOFPBQMPDZ-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016651417 1338679367 /nfs/dbraw/zinc/67/93/67/1338679367.db2.gz HHWNPHCNNVZGPO-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016860988 1338750876 /nfs/dbraw/zinc/75/08/76/1338750876.db2.gz MDYKFMDAURLPCW-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016862346 1338751168 /nfs/dbraw/zinc/75/11/68/1338751168.db2.gz WMTGRLGOLZVCGQ-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001016924164 1338771482 /nfs/dbraw/zinc/77/14/82/1338771482.db2.gz RKLBXEVNHZTCFZ-RTBURBONSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001017153359 1338903437 /nfs/dbraw/zinc/90/34/37/1338903437.db2.gz DRLIJPLPXQXPJH-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001017153359 1338903439 /nfs/dbraw/zinc/90/34/39/1338903439.db2.gz DRLIJPLPXQXPJH-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001017153359 1338903442 /nfs/dbraw/zinc/90/34/42/1338903442.db2.gz DRLIJPLPXQXPJH-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC[C@@H](C[N@@H+](C)CC3CCCC3)C2)CC1 ZINC001017239705 1338971684 /nfs/dbraw/zinc/97/16/84/1338971684.db2.gz HVNWNCBOCFVYEM-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCCC2CCC2)C1 ZINC001028088789 1340417754 /nfs/dbraw/zinc/41/77/54/1340417754.db2.gz PSLMCCTXQJFKPP-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCCC2CCC2)C1 ZINC001028088789 1340417757 /nfs/dbraw/zinc/41/77/57/1340417757.db2.gz PSLMCCTXQJFKPP-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCCC2CCC2)C1 ZINC001028088789 1340417761 /nfs/dbraw/zinc/41/77/61/1340417761.db2.gz PSLMCCTXQJFKPP-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028094389 1340422309 /nfs/dbraw/zinc/42/23/09/1340422309.db2.gz YPMLBNAOJFARBU-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028094389 1340422311 /nfs/dbraw/zinc/42/23/11/1340422311.db2.gz YPMLBNAOJFARBU-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028094389 1340422314 /nfs/dbraw/zinc/42/23/14/1340422314.db2.gz YPMLBNAOJFARBU-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC2CCCCCC2)CC[N@H+]1C ZINC001028096654 1340424298 /nfs/dbraw/zinc/42/42/98/1340424298.db2.gz BDSYMXWDOLTHPV-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCCC2)CC[NH+]1C ZINC001028096654 1340424300 /nfs/dbraw/zinc/42/43/00/1340424300.db2.gz BDSYMXWDOLTHPV-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCCC2)CC[NH+]1C ZINC001028096654 1340424302 /nfs/dbraw/zinc/42/43/02/1340424302.db2.gz BDSYMXWDOLTHPV-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137428 1340449797 /nfs/dbraw/zinc/44/97/97/1340449797.db2.gz JLXAYKFLHFRMTE-FQEVSTJZSA-N 2 1 345.531 3.031 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028181272 1340471685 /nfs/dbraw/zinc/47/16/85/1340471685.db2.gz PZTJSILZHGNVGY-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001028181272 1340471686 /nfs/dbraw/zinc/47/16/86/1340471686.db2.gz PZTJSILZHGNVGY-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001028181272 1340471690 /nfs/dbraw/zinc/47/16/90/1340471690.db2.gz PZTJSILZHGNVGY-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@H+]1CCC(C)(C)C ZINC001028334223 1340571256 /nfs/dbraw/zinc/57/12/56/1340571256.db2.gz YADOUAYHAINYKV-SFHVURJKSA-N 2 1 345.531 3.379 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001028335070 1340572513 /nfs/dbraw/zinc/57/25/13/1340572513.db2.gz NLCGUFUEWCKBAO-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001028335070 1340572520 /nfs/dbraw/zinc/57/25/20/1340572520.db2.gz NLCGUFUEWCKBAO-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC001028335070 1340572522 /nfs/dbraw/zinc/57/25/22/1340572522.db2.gz NLCGUFUEWCKBAO-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CCC3CCCCCC3)C2)CC[N@H+]1C ZINC001028549702 1340696132 /nfs/dbraw/zinc/69/61/32/1340696132.db2.gz VRMMLQMVQBKHCO-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](CCC3CCCCCC3)C2)CC[NH+]1C ZINC001028549702 1340696134 /nfs/dbraw/zinc/69/61/34/1340696134.db2.gz VRMMLQMVQBKHCO-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](CCC3CCCCCC3)C2)CC[NH+]1C ZINC001028549702 1340696137 /nfs/dbraw/zinc/69/61/37/1340696137.db2.gz VRMMLQMVQBKHCO-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001028756151 1340791368 /nfs/dbraw/zinc/79/13/68/1340791368.db2.gz YBNUHPIEZSLAEZ-PMACEKPBSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001028756151 1340791370 /nfs/dbraw/zinc/79/13/70/1340791370.db2.gz YBNUHPIEZSLAEZ-PMACEKPBSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001028756151 1340791372 /nfs/dbraw/zinc/79/13/72/1340791372.db2.gz YBNUHPIEZSLAEZ-PMACEKPBSA-N 2 1 349.563 3.127 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029013204 1340909624 /nfs/dbraw/zinc/90/96/24/1340909624.db2.gz VGSYJDXQUPQGEE-SJORKVTESA-N 2 1 349.519 3.219 20 0 EGADMP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001029134316 1340939254 /nfs/dbraw/zinc/93/92/54/1340939254.db2.gz SCZDRMPSMOGIRT-FXAWDEMLSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001029134317 1340939341 /nfs/dbraw/zinc/93/93/41/1340939341.db2.gz SCZDRMPSMOGIRT-PXNSSMCTSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001029144515 1340942482 /nfs/dbraw/zinc/94/24/82/1340942482.db2.gz WEBXKOZYYRAEGL-QGZVFWFLSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001029145949 1340942733 /nfs/dbraw/zinc/94/27/33/1340942733.db2.gz FUEUSSPYHOQEEB-QZTJIDSGSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029739486 1341059337 /nfs/dbraw/zinc/05/93/37/1341059337.db2.gz JKTQIWPNBYTYSS-PKOBYXMFSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001029739486 1341059339 /nfs/dbraw/zinc/05/93/39/1341059339.db2.gz JKTQIWPNBYTYSS-PKOBYXMFSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001029739486 1341059342 /nfs/dbraw/zinc/05/93/42/1341059342.db2.gz JKTQIWPNBYTYSS-PKOBYXMFSA-N 2 1 349.563 3.076 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC(C[N@@H+](C)CC3CC(C)(C)C3)CC2)CCC1 ZINC001029969975 1341138856 /nfs/dbraw/zinc/13/88/56/1341138856.db2.gz GCUUIRXEFIUVNX-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001030033219 1341162474 /nfs/dbraw/zinc/16/24/74/1341162474.db2.gz QOFYIKIVZLYCJZ-IHPCNDPISA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001030033219 1341162475 /nfs/dbraw/zinc/16/24/75/1341162475.db2.gz QOFYIKIVZLYCJZ-IHPCNDPISA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001030033219 1341162476 /nfs/dbraw/zinc/16/24/76/1341162476.db2.gz QOFYIKIVZLYCJZ-IHPCNDPISA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001030033219 1341162477 /nfs/dbraw/zinc/16/24/77/1341162477.db2.gz QOFYIKIVZLYCJZ-IHPCNDPISA-N 2 1 343.515 3.121 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1C[NH+](CCCC2CCCC2)C1 ZINC001030441786 1341187902 /nfs/dbraw/zinc/18/79/02/1341187902.db2.gz GHIGHDMLMKJDKC-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1C[NH+](CCCC2CCCC2)C1 ZINC001030441786 1341187903 /nfs/dbraw/zinc/18/79/03/1341187903.db2.gz GHIGHDMLMKJDKC-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@H](CC)c2ccccc2)C1 ZINC001031715591 1341392062 /nfs/dbraw/zinc/39/20/62/1341392062.db2.gz WSEZAGPMOCEWJP-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CCC3CCCCCC3)C2)CC[N@H+]1C ZINC001031925767 1341423018 /nfs/dbraw/zinc/42/30/18/1341423018.db2.gz NLTHOSMNWNSLAS-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2=CCCCC2)C1 ZINC001032117321 1341457874 /nfs/dbraw/zinc/45/78/74/1341457874.db2.gz ATYAQZRUHMVKLP-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001032205632 1341472902 /nfs/dbraw/zinc/47/29/02/1341472902.db2.gz DGMUHHOYAFGULJ-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1=CCCCC1 ZINC001032432766 1341511456 /nfs/dbraw/zinc/51/14/56/1341511456.db2.gz ANTYRFHKLIOZJG-SLFFLAALSA-N 2 1 345.531 3.036 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1=CCCCC1 ZINC001032432766 1341511460 /nfs/dbraw/zinc/51/14/60/1341511460.db2.gz ANTYRFHKLIOZJG-SLFFLAALSA-N 2 1 345.531 3.036 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1=CCCCC1 ZINC001032432766 1341511462 /nfs/dbraw/zinc/51/14/62/1341511462.db2.gz ANTYRFHKLIOZJG-SLFFLAALSA-N 2 1 345.531 3.036 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC(C)(C)C ZINC001032488491 1341521780 /nfs/dbraw/zinc/52/17/80/1341521780.db2.gz ISJYIFFKTHBCBB-ROUUACIJSA-N 2 1 349.563 3.361 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C ZINC001032488491 1341521782 /nfs/dbraw/zinc/52/17/82/1341521782.db2.gz ISJYIFFKTHBCBB-ROUUACIJSA-N 2 1 349.563 3.361 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C ZINC001032488491 1341521784 /nfs/dbraw/zinc/52/17/84/1341521784.db2.gz ISJYIFFKTHBCBB-ROUUACIJSA-N 2 1 349.563 3.361 20 0 EGADMP C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCC1)[NH+]1CCCCCC1 ZINC001032664801 1341576101 /nfs/dbraw/zinc/57/61/01/1341576101.db2.gz SQQRKQQFSJJVLI-IHPCNDPISA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033395360 1341812127 /nfs/dbraw/zinc/81/21/27/1341812127.db2.gz IDXPHHIKYANNMT-UXHICEINSA-N 2 1 343.515 3.012 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472182 1341839902 /nfs/dbraw/zinc/83/99/02/1341839902.db2.gz SMOXEIRSTXBXSQ-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033472182 1341839904 /nfs/dbraw/zinc/83/99/04/1341839904.db2.gz SMOXEIRSTXBXSQ-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033472182 1341839905 /nfs/dbraw/zinc/83/99/05/1341839905.db2.gz SMOXEIRSTXBXSQ-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033472049 1341840373 /nfs/dbraw/zinc/84/03/73/1341840373.db2.gz RCSKUJGMGKHCHY-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033472049 1341840374 /nfs/dbraw/zinc/84/03/74/1341840374.db2.gz RCSKUJGMGKHCHY-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033472049 1341840375 /nfs/dbraw/zinc/84/03/75/1341840375.db2.gz RCSKUJGMGKHCHY-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001033570508 1341878490 /nfs/dbraw/zinc/87/84/90/1341878490.db2.gz BAGWVHYANNQWBV-MOPGFXCFSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001033570508 1341878491 /nfs/dbraw/zinc/87/84/91/1341878491.db2.gz BAGWVHYANNQWBV-MOPGFXCFSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001033570508 1341878492 /nfs/dbraw/zinc/87/84/92/1341878492.db2.gz BAGWVHYANNQWBV-MOPGFXCFSA-N 2 1 335.536 3.140 20 0 EGADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001033581713 1341882333 /nfs/dbraw/zinc/88/23/33/1341882333.db2.gz LSGXWEGUQVQKAU-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033581713 1341882336 /nfs/dbraw/zinc/88/23/36/1341882336.db2.gz LSGXWEGUQVQKAU-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033581713 1341882340 /nfs/dbraw/zinc/88/23/40/1341882340.db2.gz LSGXWEGUQVQKAU-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033856689 1342046829 /nfs/dbraw/zinc/04/68/29/1342046829.db2.gz VOZBFFYERVZCFD-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001033856689 1342046831 /nfs/dbraw/zinc/04/68/31/1342046831.db2.gz VOZBFFYERVZCFD-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001033856689 1342046833 /nfs/dbraw/zinc/04/68/33/1342046833.db2.gz VOZBFFYERVZCFD-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033856685 1342047211 /nfs/dbraw/zinc/04/72/11/1342047211.db2.gz VOZBFFYERVZCFD-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001033856685 1342047212 /nfs/dbraw/zinc/04/72/12/1342047212.db2.gz VOZBFFYERVZCFD-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001033856685 1342047214 /nfs/dbraw/zinc/04/72/14/1342047214.db2.gz VOZBFFYERVZCFD-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034202732 1342313329 /nfs/dbraw/zinc/31/33/29/1342313329.db2.gz ANKSNTRSKHSTJM-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCCCC2)C1 ZINC001034202732 1342313333 /nfs/dbraw/zinc/31/33/33/1342313333.db2.gz ANKSNTRSKHSTJM-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCCC2)C1 ZINC001034202732 1342313336 /nfs/dbraw/zinc/31/33/36/1342313336.db2.gz ANKSNTRSKHSTJM-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP O=C(N[C@H]1CCCC[N@@H+](CC2CC2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001034210776 1342320426 /nfs/dbraw/zinc/32/04/26/1342320426.db2.gz JNVAQZLTPJYWQX-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@H]1CCCC[NH+](CC2CC2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001034210776 1342320428 /nfs/dbraw/zinc/32/04/28/1342320428.db2.gz JNVAQZLTPJYWQX-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@H]1CCCC[NH+](CC2CC2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001034210776 1342320429 /nfs/dbraw/zinc/32/04/29/1342320429.db2.gz JNVAQZLTPJYWQX-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034228890 1342332742 /nfs/dbraw/zinc/33/27/42/1342332742.db2.gz JQPRAWXPUWYGCY-QGZVFWFLSA-N 2 1 349.544 3.360 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034228890 1342332747 /nfs/dbraw/zinc/33/27/47/1342332747.db2.gz JQPRAWXPUWYGCY-QGZVFWFLSA-N 2 1 349.544 3.360 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034239212 1342340548 /nfs/dbraw/zinc/34/05/48/1342340548.db2.gz JCEVWTOLKJQOEW-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001034239212 1342340549 /nfs/dbraw/zinc/34/05/49/1342340549.db2.gz JCEVWTOLKJQOEW-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001034239212 1342340555 /nfs/dbraw/zinc/34/05/55/1342340555.db2.gz JCEVWTOLKJQOEW-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(N[C@H]1CCCC[N@@H+](CC2CCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001034257760 1342351608 /nfs/dbraw/zinc/35/16/08/1342351608.db2.gz LSZFJZJDOPLFIX-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](CCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001034290820 1342376624 /nfs/dbraw/zinc/37/66/24/1342376624.db2.gz LSXCXWIFFMOSTQ-LJQANCHMSA-N 2 1 347.547 3.166 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034292464 1342377065 /nfs/dbraw/zinc/37/70/65/1342377065.db2.gz RKZRQZHWMLDBQX-QGZVFWFLSA-N 2 1 342.487 3.355 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034332387 1342406803 /nfs/dbraw/zinc/40/68/03/1342406803.db2.gz YLOOTVJDOOVERG-LJQANCHMSA-N 2 1 345.531 3.175 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001034339519 1342413774 /nfs/dbraw/zinc/41/37/74/1342413774.db2.gz HWEZFKUIGOVVPD-IBGZPJMESA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCCC[N@@H+](CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001034340631 1342414721 /nfs/dbraw/zinc/41/47/21/1342414721.db2.gz RYPQFJGQBINKDR-IBGZPJMESA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034360471 1342432535 /nfs/dbraw/zinc/43/25/35/1342432535.db2.gz IYCZNPUPWIQNIA-IEBWSBKVSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034360471 1342432536 /nfs/dbraw/zinc/43/25/36/1342432536.db2.gz IYCZNPUPWIQNIA-IEBWSBKVSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034360471 1342432537 /nfs/dbraw/zinc/43/25/37/1342432537.db2.gz IYCZNPUPWIQNIA-IEBWSBKVSA-N 2 1 335.536 3.163 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3=CCCCC3)C2)CC[N@H+]1C ZINC001034363543 1342434551 /nfs/dbraw/zinc/43/45/51/1342434551.db2.gz ONYYJHPUEJOKEE-IHPCNDPISA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@H+](CC3=CCCCC3)C2)CC[NH+]1C ZINC001034363543 1342434552 /nfs/dbraw/zinc/43/45/52/1342434552.db2.gz ONYYJHPUEJOKEE-IHPCNDPISA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CC3=CCCCC3)C2)CC[NH+]1C ZINC001034363543 1342434554 /nfs/dbraw/zinc/43/45/54/1342434554.db2.gz ONYYJHPUEJOKEE-IHPCNDPISA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CCC3=CCCCC3)C2)CC1 ZINC001034378419 1342448815 /nfs/dbraw/zinc/44/88/15/1342448815.db2.gz SDFZCFXRKLAUMV-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](CCCC3CCCC3)C2)C1 ZINC001034395443 1342463490 /nfs/dbraw/zinc/46/34/90/1342463490.db2.gz ZHQCFOOHUQPPIK-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CCCC3CCCC3)C2)C1 ZINC001034395443 1342463493 /nfs/dbraw/zinc/46/34/93/1342463493.db2.gz ZHQCFOOHUQPPIK-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001034395443 1342463495 /nfs/dbraw/zinc/46/34/95/1342463495.db2.gz ZHQCFOOHUQPPIK-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](CCC2=CCCCC2)C1 ZINC001034397198 1342465450 /nfs/dbraw/zinc/46/54/50/1342465450.db2.gz JIQLAHFIHNXRHN-ICSRJNTNSA-N 2 1 347.547 3.332 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](CCC2=CCCCC2)C1 ZINC001034397198 1342465455 /nfs/dbraw/zinc/46/54/55/1342465455.db2.gz JIQLAHFIHNXRHN-ICSRJNTNSA-N 2 1 347.547 3.332 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](CCC2=CCCCC2)C1 ZINC001034397198 1342465458 /nfs/dbraw/zinc/46/54/58/1342465458.db2.gz JIQLAHFIHNXRHN-ICSRJNTNSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[N@H+]1CCCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034405852 1342469867 /nfs/dbraw/zinc/46/98/67/1342469867.db2.gz VQPRBMBPZLIGPO-FQEVSTJZSA-N 2 1 345.531 3.175 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CCCC[N@@H+](CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001034437036 1342499245 /nfs/dbraw/zinc/49/92/45/1342499245.db2.gz CUNKFBDUOXWBMS-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](CC2CCCCCC2)C1)C12CC[NH+](CC1)C2 ZINC001034485017 1342542980 /nfs/dbraw/zinc/54/29/80/1342542980.db2.gz ACKHVTZBIQKJEJ-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](CCCC3CCCC3)C2)C1 ZINC001034490638 1342546974 /nfs/dbraw/zinc/54/69/74/1342546974.db2.gz MKDIKTAFDUUKDZ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@H+](CCCC3CCCC3)C2)C1 ZINC001034490638 1342546976 /nfs/dbraw/zinc/54/69/76/1342546976.db2.gz MKDIKTAFDUUKDZ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001034490638 1342546979 /nfs/dbraw/zinc/54/69/79/1342546979.db2.gz MKDIKTAFDUUKDZ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](CCC3CCCCC3)C2)C1 ZINC001034490029 1342547450 /nfs/dbraw/zinc/54/74/50/1342547450.db2.gz IDCCJYROCYPKDJ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@H+](CCC3CCCCC3)C2)C1 ZINC001034490029 1342547453 /nfs/dbraw/zinc/54/74/53/1342547453.db2.gz IDCCJYROCYPKDJ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001034490029 1342547457 /nfs/dbraw/zinc/54/74/57/1342547457.db2.gz IDCCJYROCYPKDJ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001034526202 1342583313 /nfs/dbraw/zinc/58/33/13/1342583313.db2.gz VQSTXQJEUOMQGG-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001034526202 1342583316 /nfs/dbraw/zinc/58/33/16/1342583316.db2.gz VQSTXQJEUOMQGG-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001034526202 1342583320 /nfs/dbraw/zinc/58/33/20/1342583320.db2.gz VQSTXQJEUOMQGG-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCC3)CC2)CC[N@H+]1C ZINC001034649712 1342669807 /nfs/dbraw/zinc/66/98/07/1342669807.db2.gz QVZCQRBZNZZRFC-LWYYNNOASA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H]([NH2+]CC2CC(C)C2)CC1 ZINC001034750623 1342738218 /nfs/dbraw/zinc/73/82/18/1342738218.db2.gz HMBJDMRXFIBESM-VNGAXPGBSA-N 2 1 346.519 3.070 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001034959083 1342853829 /nfs/dbraw/zinc/85/38/29/1342853829.db2.gz RAUYDWWDQAQPKZ-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001035071224 1342911935 /nfs/dbraw/zinc/91/19/35/1342911935.db2.gz RBKUJECRYPVPKV-MSOLQXFVSA-N 2 1 349.544 3.092 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001035102674 1342927423 /nfs/dbraw/zinc/92/74/23/1342927423.db2.gz ZWNKKLBMSWWFNC-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035742031 1343163147 /nfs/dbraw/zinc/16/31/47/1343163147.db2.gz TXWFHFMJBMSVQX-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001036193337 1343356563 /nfs/dbraw/zinc/35/65/63/1343356563.db2.gz MKNHYQAUTZROOJ-HKUYNNGSSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036731719 1343661221 /nfs/dbraw/zinc/66/12/21/1343661221.db2.gz YGHHSEUIHKKLED-DOTOQJQBSA-N 2 1 349.544 3.002 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001038321480 1344379060 /nfs/dbraw/zinc/37/90/60/1344379060.db2.gz MSMRJSCEFILXHJ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001038321480 1344379065 /nfs/dbraw/zinc/37/90/65/1344379065.db2.gz MSMRJSCEFILXHJ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001038321480 1344379066 /nfs/dbraw/zinc/37/90/66/1344379066.db2.gz MSMRJSCEFILXHJ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001038442996 1344429413 /nfs/dbraw/zinc/42/94/13/1344429413.db2.gz FXCLPPLGIKTNSA-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001038442996 1344429416 /nfs/dbraw/zinc/42/94/16/1344429416.db2.gz FXCLPPLGIKTNSA-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001038442996 1344429418 /nfs/dbraw/zinc/42/94/18/1344429418.db2.gz FXCLPPLGIKTNSA-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038521441 1344464272 /nfs/dbraw/zinc/46/42/72/1344464272.db2.gz XSLIBQADLLUYDT-VQTJNVASSA-N 2 1 348.450 3.290 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCC1 ZINC001039047285 1344733514 /nfs/dbraw/zinc/73/35/14/1344733514.db2.gz CTOYXZUKUNXTPY-IBGZPJMESA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137313 1344817054 /nfs/dbraw/zinc/81/70/54/1344817054.db2.gz GIKSRQICSFOKAJ-PMACEKPBSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039137313 1344817063 /nfs/dbraw/zinc/81/70/63/1344817063.db2.gz GIKSRQICSFOKAJ-PMACEKPBSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039137313 1344817075 /nfs/dbraw/zinc/81/70/75/1344817075.db2.gz GIKSRQICSFOKAJ-PMACEKPBSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039166852 1344852784 /nfs/dbraw/zinc/85/27/84/1344852784.db2.gz GOESQJNDKFSDLQ-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039216648 1344933232 /nfs/dbraw/zinc/93/32/32/1344933232.db2.gz CEKDJKGRCQDADS-MJGOQNOKSA-N 2 1 340.471 3.061 20 0 EGADMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001039281068 1344994950 /nfs/dbraw/zinc/99/49/50/1344994950.db2.gz JKYBDHVUABXRIQ-KOQQBVACSA-N 2 1 347.547 3.163 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001039373481 1345032544 /nfs/dbraw/zinc/03/25/44/1345032544.db2.gz XAJBGMHCNBFQEA-AABGKKOBSA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001039373481 1345032548 /nfs/dbraw/zinc/03/25/48/1345032548.db2.gz XAJBGMHCNBFQEA-AABGKKOBSA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001039373481 1345032551 /nfs/dbraw/zinc/03/25/51/1345032551.db2.gz XAJBGMHCNBFQEA-AABGKKOBSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040205214 1345375164 /nfs/dbraw/zinc/37/51/64/1345375164.db2.gz OWYXHMGJUWLYCH-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040237007 1345389195 /nfs/dbraw/zinc/38/91/95/1345389195.db2.gz PXKSYUKKHJRFEY-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCC1CCC1)C2)[NH+](C)C ZINC001040260209 1345399275 /nfs/dbraw/zinc/39/92/75/1345399275.db2.gz CEISZCABNJDZAA-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CC(C)C)C3)C1 ZINC001040346333 1345444799 /nfs/dbraw/zinc/44/47/99/1345444799.db2.gz BQSOHOOMWVIWDA-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](CC(C)C)C3)C1 ZINC001040346333 1345444800 /nfs/dbraw/zinc/44/48/00/1345444800.db2.gz BQSOHOOMWVIWDA-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC(C)C)C3)C1 ZINC001040346333 1345444804 /nfs/dbraw/zinc/44/48/04/1345444804.db2.gz BQSOHOOMWVIWDA-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040387595 1345471003 /nfs/dbraw/zinc/47/10/03/1345471003.db2.gz DTVSYLBLSNMGRS-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001040387595 1345471004 /nfs/dbraw/zinc/47/10/04/1345471004.db2.gz DTVSYLBLSNMGRS-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001040387595 1345471006 /nfs/dbraw/zinc/47/10/06/1345471006.db2.gz DTVSYLBLSNMGRS-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@]3(C2)CCC[NH+](CCC(C)(C)C)C3)C1 ZINC001040396968 1345476043 /nfs/dbraw/zinc/47/60/43/1345476043.db2.gz XHXXKDRKTQTSPS-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@]3(C2)CCC[N@H+](CCC(C)(C)C)C3)C1 ZINC001040396968 1345476050 /nfs/dbraw/zinc/47/60/50/1345476050.db2.gz XHXXKDRKTQTSPS-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC(C)(C)C)C3)C1 ZINC001040396968 1345476053 /nfs/dbraw/zinc/47/60/53/1345476053.db2.gz XHXXKDRKTQTSPS-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCCC3CCCC3)C2)C1)[NH+](C)C ZINC001041694855 1345821193 /nfs/dbraw/zinc/82/11/93/1345821193.db2.gz ZYBREJZFPAWWLT-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297104 1346021800 /nfs/dbraw/zinc/02/18/00/1346021800.db2.gz LYRVNTCLJMIEMH-UYAOXDASSA-N 2 1 349.563 3.076 20 0 EGADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001043880885 1346218374 /nfs/dbraw/zinc/21/83/74/1346218374.db2.gz SZSJSYACVVMCBM-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001044742539 1346418430 /nfs/dbraw/zinc/41/84/30/1346418430.db2.gz HXEUSHQVSQNXKU-IEBWSBKVSA-N 2 1 347.547 3.188 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)c1 ZINC001045070859 1346489607 /nfs/dbraw/zinc/48/96/07/1346489607.db2.gz ZVWOOSKTIFJXMK-XLIONFOSSA-N 2 1 343.515 3.121 20 0 EGADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001045167460 1346513671 /nfs/dbraw/zinc/51/36/71/1346513671.db2.gz YDZZPFTYDOMIPL-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045229557 1346536375 /nfs/dbraw/zinc/53/63/75/1346536375.db2.gz PWYQOUUJJUBYFC-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001045389159 1346580867 /nfs/dbraw/zinc/58/08/67/1346580867.db2.gz GNGQQIUVIKEVSS-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CC2=CCCCC2)CC1 ZINC001045437813 1346593670 /nfs/dbraw/zinc/59/36/70/1346593670.db2.gz FCZVKVWXUVHRPV-IBGZPJMESA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC2(C)CC[NH+](CC3CCCC3)CC2)C1 ZINC001045461199 1346599165 /nfs/dbraw/zinc/59/91/65/1346599165.db2.gz RRBZSRUSHJNFHK-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1(C)CC[NH+](CCCC2CCCC2)CC1 ZINC001045557506 1346628760 /nfs/dbraw/zinc/62/87/60/1346628760.db2.gz MXPUNYXSEPAZMR-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045944778 1346780422 /nfs/dbraw/zinc/78/04/22/1346780422.db2.gz IFHQEUYUVAFEJE-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001045944778 1346780427 /nfs/dbraw/zinc/78/04/27/1346780427.db2.gz IFHQEUYUVAFEJE-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001045944778 1346780432 /nfs/dbraw/zinc/78/04/32/1346780432.db2.gz IFHQEUYUVAFEJE-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CCC(C)C)C2)C1)[NH+](C)C ZINC001045948302 1346783486 /nfs/dbraw/zinc/78/34/86/1346783486.db2.gz XSHVVCMVSZMNMT-UYAOXDASSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001045986145 1346826679 /nfs/dbraw/zinc/82/66/79/1346826679.db2.gz HYYXKQPXDQWIQW-NRFANRHFSA-N 2 1 343.515 3.086 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001046198578 1346885871 /nfs/dbraw/zinc/88/58/71/1346885871.db2.gz VXXNXUPKTCNNBA-AZUAARDMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCC2CCCCCC2)C1 ZINC001046198578 1346885874 /nfs/dbraw/zinc/88/58/74/1346885874.db2.gz VXXNXUPKTCNNBA-AZUAARDMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCC2CCCCCC2)C1 ZINC001046198578 1346885875 /nfs/dbraw/zinc/88/58/75/1346885875.db2.gz VXXNXUPKTCNNBA-AZUAARDMSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CC2CCCCCC2)C1 ZINC001046314290 1346931002 /nfs/dbraw/zinc/93/10/02/1346931002.db2.gz AXRZALJCFNLNLC-CTNGQTDRSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CC2CCCCCC2)C1 ZINC001046314290 1346931006 /nfs/dbraw/zinc/93/10/06/1346931006.db2.gz AXRZALJCFNLNLC-CTNGQTDRSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC2CCCCCC2)C1 ZINC001046314290 1346931008 /nfs/dbraw/zinc/93/10/08/1346931008.db2.gz AXRZALJCFNLNLC-CTNGQTDRSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@]1(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+](CC2CCC2)C1 ZINC001046317007 1346931972 /nfs/dbraw/zinc/93/19/72/1346931972.db2.gz DGLCBAIBXTVIRW-NQIIRXRSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@]1(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+](CC2CCC2)C1 ZINC001046317007 1346931979 /nfs/dbraw/zinc/93/19/79/1346931979.db2.gz DGLCBAIBXTVIRW-NQIIRXRSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@]1(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](CC2CCC2)C1 ZINC001046317007 1346931988 /nfs/dbraw/zinc/93/19/88/1346931988.db2.gz DGLCBAIBXTVIRW-NQIIRXRSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CCC3CCCCCC3)C2)CC[N@H+]1C ZINC001046329427 1346936063 /nfs/dbraw/zinc/93/60/63/1346936063.db2.gz OROBQNSSOQLZRW-QFUCXCTJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCC3CCCCCC3)C2)CC[NH+]1C ZINC001046329427 1346936065 /nfs/dbraw/zinc/93/60/65/1346936065.db2.gz OROBQNSSOQLZRW-QFUCXCTJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCC3CCCCCC3)C2)CC[NH+]1C ZINC001046329427 1346936067 /nfs/dbraw/zinc/93/60/67/1346936067.db2.gz OROBQNSSOQLZRW-QFUCXCTJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@]1(NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+](CCCC2CCC2)C1 ZINC001046449470 1346978091 /nfs/dbraw/zinc/97/80/91/1346978091.db2.gz FIORAGCAOUFYLI-FQEVSTJZSA-N 2 1 340.471 3.109 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046705729 1347068581 /nfs/dbraw/zinc/06/85/81/1347068581.db2.gz DGSXGVCWQAIBTL-NRFANRHFSA-N 2 1 345.531 3.379 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)C2 ZINC001048538253 1347583774 /nfs/dbraw/zinc/58/37/74/1347583774.db2.gz NNVRPWNKLUSCOU-UHZRXMQZSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)C2 ZINC001048538253 1347583776 /nfs/dbraw/zinc/58/37/76/1347583776.db2.gz NNVRPWNKLUSCOU-UHZRXMQZSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)C2 ZINC001048538253 1347583777 /nfs/dbraw/zinc/58/37/77/1347583777.db2.gz NNVRPWNKLUSCOU-UHZRXMQZSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCCC1 ZINC001049654004 1347956917 /nfs/dbraw/zinc/95/69/17/1347956917.db2.gz FOOJXBFMNCARLL-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CC=C(C)C)C1 ZINC001049664484 1347963259 /nfs/dbraw/zinc/96/32/59/1347963259.db2.gz QLMZQQJPKNICFG-ZCNNSNEGSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC=C(C)C)C1 ZINC001049664484 1347963260 /nfs/dbraw/zinc/96/32/60/1347963260.db2.gz QLMZQQJPKNICFG-ZCNNSNEGSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC=C(C)C)C1 ZINC001049664484 1347963263 /nfs/dbraw/zinc/96/32/63/1347963263.db2.gz QLMZQQJPKNICFG-ZCNNSNEGSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049751146 1348000544 /nfs/dbraw/zinc/00/05/44/1348000544.db2.gz BMDLYVLWAGWURH-ROUUACIJSA-N 2 1 344.503 3.038 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049751146 1348000547 /nfs/dbraw/zinc/00/05/47/1348000547.db2.gz BMDLYVLWAGWURH-ROUUACIJSA-N 2 1 344.503 3.038 20 0 EGADMP C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCC1)[NH+]1CCCCCC1 ZINC001049764523 1348009553 /nfs/dbraw/zinc/00/95/53/1348009553.db2.gz DFUVHMFUJVNMDX-HOJAQTOUSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049913994 1348108836 /nfs/dbraw/zinc/10/88/36/1348108836.db2.gz LCCJICDJAXBJBM-XUVXKRRUSA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049919230 1348112072 /nfs/dbraw/zinc/11/20/72/1348112072.db2.gz OBIICRWHTVZVPH-VQTJNVASSA-N 2 1 343.515 3.227 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]21)[NH+](C)C ZINC001050144630 1348194695 /nfs/dbraw/zinc/19/46/95/1348194695.db2.gz LLJISAODRRHHCW-BTHPGYMESA-N 2 1 343.515 3.011 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCc2ccc([C@@H](C)[NH2+]CC)cc2)C1 ZINC001050269951 1348223825 /nfs/dbraw/zinc/22/38/25/1348223825.db2.gz KLIQLBYYLLAWNC-VQIMIIECSA-N 2 1 331.504 3.095 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)C1 ZINC001050333530 1348229574 /nfs/dbraw/zinc/22/95/74/1348229574.db2.gz XLBGJRBGYJIZNW-UFYCRDLUSA-N 2 1 349.563 3.029 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447426 1348543952 /nfs/dbraw/zinc/54/39/52/1348543952.db2.gz DVMPCZOZZBSVFN-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052447426 1348543953 /nfs/dbraw/zinc/54/39/53/1348543953.db2.gz DVMPCZOZZBSVFN-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052447426 1348543955 /nfs/dbraw/zinc/54/39/55/1348543955.db2.gz DVMPCZOZZBSVFN-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC001052713449 1348645903 /nfs/dbraw/zinc/64/59/03/1348645903.db2.gz XNRBFJPHAULENL-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC001052713449 1348645904 /nfs/dbraw/zinc/64/59/04/1348645904.db2.gz XNRBFJPHAULENL-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001052713449 1348645906 /nfs/dbraw/zinc/64/59/06/1348645906.db2.gz XNRBFJPHAULENL-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001052717077 1348646279 /nfs/dbraw/zinc/64/62/79/1348646279.db2.gz SJJFZARBRPQWTB-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC001052717077 1348646283 /nfs/dbraw/zinc/64/62/83/1348646283.db2.gz SJJFZARBRPQWTB-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC001052717077 1348646284 /nfs/dbraw/zinc/64/62/84/1348646284.db2.gz SJJFZARBRPQWTB-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052787042 1348679251 /nfs/dbraw/zinc/67/92/51/1348679251.db2.gz HEZWLBWXNSXSTO-LJQANCHMSA-N 2 1 331.504 3.133 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857139 1348704359 /nfs/dbraw/zinc/70/43/59/1348704359.db2.gz IMKQOUDQEJJMEX-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053037359 1348837680 /nfs/dbraw/zinc/83/76/80/1348837680.db2.gz ZBHIRUZLKGAKKZ-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053053742 1348859080 /nfs/dbraw/zinc/85/90/80/1348859080.db2.gz BUJIIKHMQXGPBD-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001054183036 1349186132 /nfs/dbraw/zinc/18/61/32/1349186132.db2.gz WRBUVJDONCUWIC-TZIWHRDSSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001054183036 1349186133 /nfs/dbraw/zinc/18/61/33/1349186133.db2.gz WRBUVJDONCUWIC-TZIWHRDSSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054183036 1349186134 /nfs/dbraw/zinc/18/61/34/1349186134.db2.gz WRBUVJDONCUWIC-TZIWHRDSSA-N 2 1 349.563 3.223 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245139 1349238325 /nfs/dbraw/zinc/23/83/25/1349238325.db2.gz OYVIGABTVTVPDF-TZIWHRDSSA-N 2 1 349.563 3.223 20 0 EGADMP CCC(CC)C[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C)cc2C1 ZINC001054259310 1349255197 /nfs/dbraw/zinc/25/51/97/1349255197.db2.gz UKJCKYROADPTTI-HXUWFJFHSA-N 2 1 343.515 3.149 20 0 EGADMP CCC(CC)C[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C)cc2C1 ZINC001054259310 1349255202 /nfs/dbraw/zinc/25/52/02/1349255202.db2.gz UKJCKYROADPTTI-HXUWFJFHSA-N 2 1 343.515 3.149 20 0 EGADMP CCC(CC)C[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C)cc2C1 ZINC001054259310 1349255203 /nfs/dbraw/zinc/25/52/03/1349255203.db2.gz UKJCKYROADPTTI-HXUWFJFHSA-N 2 1 343.515 3.149 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318487 1357572569 /nfs/dbraw/zinc/57/25/69/1357572569.db2.gz UJWZOXZRMDPRSI-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001080318487 1357572572 /nfs/dbraw/zinc/57/25/72/1357572572.db2.gz UJWZOXZRMDPRSI-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001080318487 1357572573 /nfs/dbraw/zinc/57/25/73/1357572573.db2.gz UJWZOXZRMDPRSI-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001080623668 1357704427 /nfs/dbraw/zinc/70/44/27/1357704427.db2.gz INBZPPXIGIGBGG-VQIMIIECSA-N 2 1 345.531 3.235 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984773 1358936850 /nfs/dbraw/zinc/93/68/50/1358936850.db2.gz MXHPKRZARICBRH-FQEVSTJZSA-N 2 1 345.531 3.331 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CC1CC(C)(C)C1 ZINC001071735085 1354887762 /nfs/dbraw/zinc/88/77/62/1354887762.db2.gz GBYJPHIXJXNZDI-SJLPKXTDSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071821591 1354961576 /nfs/dbraw/zinc/96/15/76/1354961576.db2.gz QNELPZWCOKWHPX-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071821591 1354961579 /nfs/dbraw/zinc/96/15/79/1354961579.db2.gz QNELPZWCOKWHPX-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071821591 1354961580 /nfs/dbraw/zinc/96/15/80/1354961580.db2.gz QNELPZWCOKWHPX-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001071868670 1354993936 /nfs/dbraw/zinc/99/39/36/1354993936.db2.gz MELTXMLUFJGEBA-WMZOPIPTSA-N 2 1 348.535 3.412 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001071868670 1354993943 /nfs/dbraw/zinc/99/39/43/1354993943.db2.gz MELTXMLUFJGEBA-WMZOPIPTSA-N 2 1 348.535 3.412 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CC1=CCCCC1 ZINC001071873264 1354998380 /nfs/dbraw/zinc/99/83/80/1354998380.db2.gz UDTIKTHOGOMWCG-PXNSSMCTSA-N 2 1 347.547 3.188 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC3CCCCC3)C2)CC1 ZINC001071931481 1355031632 /nfs/dbraw/zinc/03/16/32/1355031632.db2.gz WCRZXGBAHADTNE-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CCCC1CCCC1 ZINC001072081382 1355118845 /nfs/dbraw/zinc/11/88/45/1355118845.db2.gz KRKXHMQOSMOKMF-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072099425 1355129071 /nfs/dbraw/zinc/12/90/71/1355129071.db2.gz QOBDNPHKDKEAIU-MJGOQNOKSA-N 2 1 345.531 3.377 20 0 EGADMP CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCC1CCCCCC1)C2)[NH+](C)C ZINC001072850965 1355464953 /nfs/dbraw/zinc/46/49/53/1355464953.db2.gz GINHYPCTIHIONL-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2)[NH+]1CCCCCC1 ZINC001073035728 1355563743 /nfs/dbraw/zinc/56/37/43/1355563743.db2.gz PVRLNNASBUNDGU-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001094243331 1361758475 /nfs/dbraw/zinc/75/84/75/1361758475.db2.gz XWDYJDGNMAHORG-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001074045161 1356050795 /nfs/dbraw/zinc/05/07/95/1356050795.db2.gz AVZNQDOMPOGMST-MISYRCLQSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001074045161 1356050796 /nfs/dbraw/zinc/05/07/96/1356050796.db2.gz AVZNQDOMPOGMST-MISYRCLQSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001074045161 1356050797 /nfs/dbraw/zinc/05/07/97/1356050797.db2.gz AVZNQDOMPOGMST-MISYRCLQSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC001074063679 1356062226 /nfs/dbraw/zinc/06/22/26/1356062226.db2.gz QGRFTJNZDDQUFM-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCCC1 ZINC001074063679 1356062228 /nfs/dbraw/zinc/06/22/28/1356062228.db2.gz QGRFTJNZDDQUFM-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCCC1 ZINC001074063679 1356062230 /nfs/dbraw/zinc/06/22/30/1356062230.db2.gz QGRFTJNZDDQUFM-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001074100122 1356083129 /nfs/dbraw/zinc/08/31/29/1356083129.db2.gz RPTCMVCJNGKVTR-UYAOXDASSA-N 2 1 343.515 3.156 20 0 EGADMP CC[C@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C)c1ccccc1 ZINC001074687008 1356224614 /nfs/dbraw/zinc/22/46/14/1356224614.db2.gz GWXLGRSVMKKWFU-VDGAXYAQSA-N 2 1 343.515 3.201 20 0 EGADMP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)CC1 ZINC001075452816 1356387794 /nfs/dbraw/zinc/38/77/94/1356387794.db2.gz QOYXPOBDSSYKKT-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC001075452816 1356387797 /nfs/dbraw/zinc/38/77/97/1356387797.db2.gz QOYXPOBDSSYKKT-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC001075452816 1356387800 /nfs/dbraw/zinc/38/78/00/1356387800.db2.gz QOYXPOBDSSYKKT-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+](CC)CC2)CC1 ZINC001075461967 1356396102 /nfs/dbraw/zinc/39/61/02/1356396102.db2.gz XTXFYBJPBZIEIF-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+](CC)CC2)CC1 ZINC001075461967 1356396104 /nfs/dbraw/zinc/39/61/04/1356396104.db2.gz XTXFYBJPBZIEIF-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](CC)CC2)CC1 ZINC001075461967 1356396107 /nfs/dbraw/zinc/39/61/07/1356396107.db2.gz XTXFYBJPBZIEIF-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001098459666 1363332710 /nfs/dbraw/zinc/33/27/10/1363332710.db2.gz PASGJOJRXVTHGT-XLNTUCKNSA-N 2 1 343.515 3.129 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001183255684 1387286500 /nfs/dbraw/zinc/28/65/00/1387286500.db2.gz NHZLRCDPLWBUKX-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC ZINC001323142414 1387300263 /nfs/dbraw/zinc/30/02/63/1387300263.db2.gz IZTXJKJFUPJWIA-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CCC1CC1 ZINC001082699687 1358077830 /nfs/dbraw/zinc/07/78/30/1358077830.db2.gz PYLLTPUBSULWML-NSISKUIASA-N 2 1 347.547 3.020 20 0 EGADMP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001183517293 1387315980 /nfs/dbraw/zinc/31/59/80/1387315980.db2.gz YWTOAWSLSYZYMD-YCIUYBBHSA-N 2 1 349.563 3.291 20 0 EGADMP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183754309 1387344133 /nfs/dbraw/zinc/34/41/33/1387344133.db2.gz XFXAEQHAMRFNOM-PZJWPPBQSA-N 2 1 349.478 3.396 20 0 EGADMP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183754309 1387344137 /nfs/dbraw/zinc/34/41/37/1387344137.db2.gz XFXAEQHAMRFNOM-PZJWPPBQSA-N 2 1 349.478 3.396 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001183760351 1387344755 /nfs/dbraw/zinc/34/47/55/1387344755.db2.gz VMBQVMWLZGIIKR-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085597646 1358624431 /nfs/dbraw/zinc/62/44/31/1358624431.db2.gz CFMNDOKRGRCHCL-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085597646 1358624433 /nfs/dbraw/zinc/62/44/33/1358624433.db2.gz CFMNDOKRGRCHCL-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085597646 1358624438 /nfs/dbraw/zinc/62/44/38/1358624438.db2.gz CFMNDOKRGRCHCL-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCC1CC1)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782064 1358756723 /nfs/dbraw/zinc/75/67/23/1358756723.db2.gz MFKBXWBOJJGLGL-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CCC1CC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782064 1358756725 /nfs/dbraw/zinc/75/67/25/1358756725.db2.gz MFKBXWBOJJGLGL-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CCC1CC1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782064 1358756729 /nfs/dbraw/zinc/75/67/29/1358756729.db2.gz MFKBXWBOJJGLGL-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086102475 1358997866 /nfs/dbraw/zinc/99/78/66/1358997866.db2.gz YLITVCQSWXQZQG-IZBJGVDFSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001086696645 1359187935 /nfs/dbraw/zinc/18/79/35/1359187935.db2.gz UQCPPFFBEOWYOK-GBESFXJTSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)CC[N@H+]1C ZINC001086786176 1359201133 /nfs/dbraw/zinc/20/11/33/1359201133.db2.gz MWQSXLQOCMFBIL-PBWTXFEYSA-N 2 1 349.563 3.027 20 0 EGADMP C[C@@H]1CC2(CN1C(=O)[C@H]1CCC[N@H+]1C)CC[NH+](CCC(C)(C)C)CC2 ZINC001086910440 1359238145 /nfs/dbraw/zinc/23/81/45/1359238145.db2.gz TWPKTTFJQOVABP-QZTJIDSGSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942099 1359263759 /nfs/dbraw/zinc/26/37/59/1359263759.db2.gz IWXPVYMILKULLD-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CC2(CN1C(=O)[C@@H]1CC[N@@H+](C)C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001086956612 1359277808 /nfs/dbraw/zinc/27/78/08/1359277808.db2.gz RHFAFIMJFJGDLH-QZTJIDSGSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC[N@H+]1CC1CCC1 ZINC001087602274 1359550139 /nfs/dbraw/zinc/55/01/39/1359550139.db2.gz ICMGFTAGJMZIFF-CEXWTWQISA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CC1CCC1 ZINC001087602274 1359550140 /nfs/dbraw/zinc/55/01/40/1359550140.db2.gz ICMGFTAGJMZIFF-CEXWTWQISA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC[NH+]1CC1CCC1 ZINC001087602274 1359550141 /nfs/dbraw/zinc/55/01/41/1359550141.db2.gz ICMGFTAGJMZIFF-CEXWTWQISA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CCC(C)(C)C ZINC001087699964 1359598629 /nfs/dbraw/zinc/59/86/29/1359598629.db2.gz URNWESJCGSJKTB-XLAORIBOSA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CCC(C)(C)C ZINC001087699964 1359598631 /nfs/dbraw/zinc/59/86/31/1359598631.db2.gz URNWESJCGSJKTB-XLAORIBOSA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CCC(C)(C)C ZINC001087699964 1359598633 /nfs/dbraw/zinc/59/86/33/1359598633.db2.gz URNWESJCGSJKTB-XLAORIBOSA-N 2 1 337.552 3.122 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCCC2)CC1 ZINC001323617496 1387409202 /nfs/dbraw/zinc/40/92/02/1387409202.db2.gz YBXDGRAPDZREDV-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840543 1359674280 /nfs/dbraw/zinc/67/42/80/1359674280.db2.gz BWVBATHRCXDVAQ-OTWHNJEPSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H]1CC ZINC001087840543 1359674281 /nfs/dbraw/zinc/67/42/81/1359674281.db2.gz BWVBATHRCXDVAQ-OTWHNJEPSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H]1CC ZINC001087840543 1359674284 /nfs/dbraw/zinc/67/42/84/1359674284.db2.gz BWVBATHRCXDVAQ-OTWHNJEPSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H](F)C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001087839624 1359674324 /nfs/dbraw/zinc/67/43/24/1359674324.db2.gz LQHQPEKFGOTPEW-CEXWTWQISA-N 2 1 349.494 3.079 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CCC1CCCC1 ZINC001088567412 1359976662 /nfs/dbraw/zinc/97/66/62/1359976662.db2.gz MNGDJZYLNRNVTM-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1C ZINC001088621627 1359993736 /nfs/dbraw/zinc/99/37/36/1359993736.db2.gz MNXUCEWXYXRDKE-HOJAQTOUSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC001088621627 1359993738 /nfs/dbraw/zinc/99/37/38/1359993738.db2.gz MNXUCEWXYXRDKE-HOJAQTOUSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC001088621627 1359993741 /nfs/dbraw/zinc/99/37/41/1359993741.db2.gz MNXUCEWXYXRDKE-HOJAQTOUSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CCC1CCCCC1 ZINC001088667030 1360007495 /nfs/dbraw/zinc/00/74/95/1360007495.db2.gz VWMNZFBEMVLTJR-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CCC1CCCCC1 ZINC001088667030 1360007497 /nfs/dbraw/zinc/00/74/97/1360007497.db2.gz VWMNZFBEMVLTJR-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CCC1CCCCC1 ZINC001088667030 1360007502 /nfs/dbraw/zinc/00/75/02/1360007502.db2.gz VWMNZFBEMVLTJR-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CCC1CCCCC1 ZINC001088667030 1360007507 /nfs/dbraw/zinc/00/75/07/1360007507.db2.gz VWMNZFBEMVLTJR-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CCC1CCCCC1 ZINC001088792047 1360046215 /nfs/dbraw/zinc/04/62/15/1360046215.db2.gz RUTVHARQLPEPCK-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCCC3CCC3)[C@@H]2C)C1 ZINC001088810314 1360059542 /nfs/dbraw/zinc/05/95/42/1360059542.db2.gz XPWQTYDDAVZTAR-HOJAQTOUSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CCCC3CCC3)[C@@H]2C)C1 ZINC001088810314 1360059544 /nfs/dbraw/zinc/05/95/44/1360059544.db2.gz XPWQTYDDAVZTAR-HOJAQTOUSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CCCC3CCC3)[C@@H]2C)C1 ZINC001088810314 1360059547 /nfs/dbraw/zinc/05/95/47/1360059547.db2.gz XPWQTYDDAVZTAR-HOJAQTOUSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CCCC3)[C@@H]2C)CC1 ZINC001088952006 1360112151 /nfs/dbraw/zinc/11/21/51/1360112151.db2.gz SSUURZZJPGXGPZ-XLIONFOSSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC2CCCC2)CC[N@H+]1C ZINC001089180436 1360230203 /nfs/dbraw/zinc/23/02/03/1360230203.db2.gz RLMRJHFKYNKMNO-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[N@H+](C)CC2CCCC2)CC[NH+]1C ZINC001089180436 1360230206 /nfs/dbraw/zinc/23/02/06/1360230206.db2.gz RLMRJHFKYNKMNO-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CCCC2)CC[NH+]1C ZINC001089180436 1360230208 /nfs/dbraw/zinc/23/02/08/1360230208.db2.gz RLMRJHFKYNKMNO-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC(C)(C)C1 ZINC001089426203 1360418938 /nfs/dbraw/zinc/41/89/38/1360418938.db2.gz IINGVZIKBTZKAY-MRXNPFEDSA-N 2 1 342.487 3.273 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430820 1360422896 /nfs/dbraw/zinc/42/28/96/1360422896.db2.gz USZVNINWWSEDHR-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC(C)(C)C1 ZINC001089538226 1360496605 /nfs/dbraw/zinc/49/66/05/1360496605.db2.gz VGTRLFZQWHQODC-IBGZPJMESA-N 2 1 349.563 3.124 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCCC3CCC3)CC(C)(C)C2)C1 ZINC001089558194 1360506431 /nfs/dbraw/zinc/50/64/31/1360506431.db2.gz FPEGRMOVUNIUHE-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CCCC3CCC3)CC(C)(C)C2)C1 ZINC001089558194 1360506433 /nfs/dbraw/zinc/50/64/33/1360506433.db2.gz FPEGRMOVUNIUHE-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCCC3CCC3)CC(C)(C)C2)C1 ZINC001089558194 1360506435 /nfs/dbraw/zinc/50/64/35/1360506435.db2.gz FPEGRMOVUNIUHE-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089663984 1360574186 /nfs/dbraw/zinc/57/41/86/1360574186.db2.gz BSXUDVZDPPUQEC-MSOLQXFVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001089707537 1360610629 /nfs/dbraw/zinc/61/06/29/1360610629.db2.gz MNMBWCNUICOVHG-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001089707537 1360610634 /nfs/dbraw/zinc/61/06/34/1360610634.db2.gz MNMBWCNUICOVHG-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001089721020 1360623575 /nfs/dbraw/zinc/62/35/75/1360623575.db2.gz CDSKFZMIDSKCTC-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001089734181 1360638486 /nfs/dbraw/zinc/63/84/86/1360638486.db2.gz LDPZLVMTZTZSEJ-MOPGFXCFSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC=C(C)C ZINC001089734181 1360638487 /nfs/dbraw/zinc/63/84/87/1360638487.db2.gz LDPZLVMTZTZSEJ-MOPGFXCFSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC=C(C)C ZINC001089734181 1360638490 /nfs/dbraw/zinc/63/84/90/1360638490.db2.gz LDPZLVMTZTZSEJ-MOPGFXCFSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2CC([NH2+]CCC3CCCC3)C2)C1 ZINC001091198409 1361004781 /nfs/dbraw/zinc/00/47/81/1361004781.db2.gz GCIIJRJBQPLHQX-GPJFCIFZSA-N 2 1 349.563 3.173 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001091378923 1361068699 /nfs/dbraw/zinc/06/86/99/1361068699.db2.gz ZETLGXRALUUQSF-SOAGJPPSSA-N 2 1 347.547 3.236 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302041 1361358982 /nfs/dbraw/zinc/35/89/82/1361358982.db2.gz QKXPPDHZVOZXTG-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001092302041 1361358985 /nfs/dbraw/zinc/35/89/85/1361358985.db2.gz QKXPPDHZVOZXTG-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@]2(C)C1 ZINC001092302041 1361358987 /nfs/dbraw/zinc/35/89/87/1361358987.db2.gz QKXPPDHZVOZXTG-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CCCC(C)C)[C@H](C)C1 ZINC001184710985 1387516373 /nfs/dbraw/zinc/51/63/73/1387516373.db2.gz AUBXVNZYIQNRGV-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001093767817 1361693916 /nfs/dbraw/zinc/69/39/16/1361693916.db2.gz DTJQHSBIERNJGA-MISYRCLQSA-N 2 1 347.547 3.044 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094528968 1361846130 /nfs/dbraw/zinc/84/61/30/1361846130.db2.gz DPSJFZUNALZYGJ-QWFCFKBJSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094528968 1361846133 /nfs/dbraw/zinc/84/61/33/1361846133.db2.gz DPSJFZUNALZYGJ-QWFCFKBJSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094528968 1361846135 /nfs/dbraw/zinc/84/61/35/1361846135.db2.gz DPSJFZUNALZYGJ-QWFCFKBJSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001184811460 1387543786 /nfs/dbraw/zinc/54/37/86/1387543786.db2.gz XAURLVYJMIJXKE-AEFFLSMTSA-N 2 1 348.535 3.092 20 0 EGADMP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1)[NH+]1CCCC1 ZINC001095862509 1362258612 /nfs/dbraw/zinc/25/86/12/1362258612.db2.gz OTOBPOXGNYVIJJ-QYZOEREBSA-N 2 1 345.531 3.083 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCC2)CC[N@H+]1C ZINC001095921120 1362289074 /nfs/dbraw/zinc/28/90/74/1362289074.db2.gz FHHPEXKBIOCPDN-UVBQOVKKSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCC2)CC[NH+]1C ZINC001095921120 1362289079 /nfs/dbraw/zinc/28/90/79/1362289079.db2.gz FHHPEXKBIOCPDN-UVBQOVKKSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCC2)CC[NH+]1C ZINC001095921120 1362289081 /nfs/dbraw/zinc/28/90/81/1362289081.db2.gz FHHPEXKBIOCPDN-UVBQOVKKSA-N 2 1 347.547 3.019 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CC1 ZINC001096313442 1362459954 /nfs/dbraw/zinc/45/99/54/1362459954.db2.gz GSZDOYSRXXTLEM-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1 ZINC001096313442 1362459958 /nfs/dbraw/zinc/45/99/58/1362459958.db2.gz GSZDOYSRXXTLEM-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001096313442 1362459960 /nfs/dbraw/zinc/45/99/60/1362459960.db2.gz GSZDOYSRXXTLEM-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]1CNc1cccc(C)n1 ZINC001324284721 1387580804 /nfs/dbraw/zinc/58/08/04/1387580804.db2.gz FKQFLDYVLOWJLJ-QZTJIDSGSA-N 2 1 344.503 3.057 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)CN1CCC[C@H]1CNc1cccc(C)n1 ZINC001324284720 1387581026 /nfs/dbraw/zinc/58/10/26/1387581026.db2.gz FKQFLDYVLOWJLJ-MSOLQXFVSA-N 2 1 344.503 3.057 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCC2)CC[N@H+]1C ZINC001097106026 1362844965 /nfs/dbraw/zinc/84/49/65/1362844965.db2.gz NGTHWAMUZUCWKC-IVDHNXQLSA-N 2 1 347.547 3.019 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCC2)CC[NH+]1C ZINC001097106026 1362844969 /nfs/dbraw/zinc/84/49/69/1362844969.db2.gz NGTHWAMUZUCWKC-IVDHNXQLSA-N 2 1 347.547 3.019 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCC2)CC[NH+]1C ZINC001097106026 1362844971 /nfs/dbraw/zinc/84/49/71/1362844971.db2.gz NGTHWAMUZUCWKC-IVDHNXQLSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097218822 1362890388 /nfs/dbraw/zinc/89/03/88/1362890388.db2.gz KMPRMUHLEYIUJR-ZRNYENFQSA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001097218822 1362890391 /nfs/dbraw/zinc/89/03/91/1362890391.db2.gz KMPRMUHLEYIUJR-ZRNYENFQSA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001097218822 1362890395 /nfs/dbraw/zinc/89/03/95/1362890395.db2.gz KMPRMUHLEYIUJR-ZRNYENFQSA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CC1)C2 ZINC001098875219 1363501462 /nfs/dbraw/zinc/50/14/62/1363501462.db2.gz PIPDBZCVHWYXQW-ZJOUEHCJSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1CC1)C2 ZINC001098875219 1363501466 /nfs/dbraw/zinc/50/14/66/1363501466.db2.gz PIPDBZCVHWYXQW-ZJOUEHCJSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1CC1)C2 ZINC001098875219 1363501468 /nfs/dbraw/zinc/50/14/68/1363501468.db2.gz PIPDBZCVHWYXQW-ZJOUEHCJSA-N 2 1 347.547 3.020 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC ZINC001099080158 1363611801 /nfs/dbraw/zinc/61/18/01/1363611801.db2.gz NFHPZZRHNFZRFH-HOTGVXAUSA-N 2 1 334.508 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099080158 1363611803 /nfs/dbraw/zinc/61/18/03/1363611803.db2.gz NFHPZZRHNFZRFH-HOTGVXAUSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001099101003 1363622213 /nfs/dbraw/zinc/62/22/13/1363622213.db2.gz CTFZCEUPFCGQIV-FPOVZHCZSA-N 2 1 347.547 3.044 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCCC1)C1CC1 ZINC001099106365 1363625571 /nfs/dbraw/zinc/62/55/71/1363625571.db2.gz DVJDXNMJPWLVMH-OALUTQOASA-N 2 1 349.563 3.124 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C ZINC001099140267 1363649942 /nfs/dbraw/zinc/64/99/42/1363649942.db2.gz UAZFTRBBQOEYMO-KRWDZBQOSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C ZINC001099140267 1363649943 /nfs/dbraw/zinc/64/99/43/1363649943.db2.gz UAZFTRBBQOEYMO-KRWDZBQOSA-N 2 1 348.535 3.235 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CCCC2)C1 ZINC001099240517 1363709588 /nfs/dbraw/zinc/70/95/88/1363709588.db2.gz RYBBZDWCJJKHFM-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC2CCCC2)C1 ZINC001099240517 1363709589 /nfs/dbraw/zinc/70/95/89/1363709589.db2.gz RYBBZDWCJJKHFM-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC2CCCC2)C1 ZINC001099240517 1363709592 /nfs/dbraw/zinc/70/95/92/1363709592.db2.gz RYBBZDWCJJKHFM-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099259077 1363720183 /nfs/dbraw/zinc/72/01/83/1363720183.db2.gz WQXCRYGGNXHHOL-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099259077 1363720185 /nfs/dbraw/zinc/72/01/85/1363720185.db2.gz WQXCRYGGNXHHOL-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP C[C@H](F)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310321 1363742922 /nfs/dbraw/zinc/74/29/22/1363742922.db2.gz JTVUMQQDRVMNSN-DLBZAZTESA-N 2 1 343.531 3.073 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC1)[NH+]1CCCC1 ZINC001099349012 1363765229 /nfs/dbraw/zinc/76/52/29/1363765229.db2.gz NHBZJBHSCZBMOW-MOPGFXCFSA-N 2 1 349.563 3.124 20 0 EGADMP CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCCC[NH+](C)C)C1 ZINC001099548178 1363842125 /nfs/dbraw/zinc/84/21/25/1363842125.db2.gz QZBOQGNEWGYLCV-MUGJNUQGSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+][C@H](C)c2ccccc2F)C1 ZINC001100456867 1364120367 /nfs/dbraw/zinc/12/03/67/1364120367.db2.gz GFGCXQCJBOGWCW-QQFBHYJXSA-N 2 1 349.494 3.101 20 0 EGADMP CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001100470989 1364126722 /nfs/dbraw/zinc/12/67/22/1364126722.db2.gz KHOKTUKSRMSILR-ACBHZAAOSA-N 2 1 337.552 3.172 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001100681902 1364216439 /nfs/dbraw/zinc/21/64/39/1364216439.db2.gz XFHMJXMTWPTNJM-HJWRWDBZSA-N 2 1 337.552 3.195 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100729719 1364238399 /nfs/dbraw/zinc/23/83/99/1364238399.db2.gz LECDMGOEGTXYES-DAWZGUTISA-N 2 1 337.552 3.170 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001100898733 1364320364 /nfs/dbraw/zinc/32/03/64/1364320364.db2.gz ZUMBQFULOWZWBN-UHFFFAOYSA-N 2 1 345.531 3.020 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001100900034 1364321752 /nfs/dbraw/zinc/32/17/52/1364321752.db2.gz MTSRGDOBTJGXJK-LYGPFTKASA-N 2 1 349.494 3.103 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313596 1364506065 /nfs/dbraw/zinc/50/60/65/1364506065.db2.gz FGDYNBFAZIQWNQ-NSHGMRRFSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101436802 1364562742 /nfs/dbraw/zinc/56/27/42/1364562742.db2.gz KPECNYOFPINDMI-QUCCMNQESA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101487308 1364579430 /nfs/dbraw/zinc/57/94/30/1364579430.db2.gz XQDPRADKWQPPNF-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001101547556 1364611596 /nfs/dbraw/zinc/61/15/96/1364611596.db2.gz GWQYJWBYDCOSMS-QGZVFWFLSA-N 2 1 346.519 3.025 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102497434 1365086764 /nfs/dbraw/zinc/08/67/64/1365086764.db2.gz SMSKOYMEMJUEQL-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001102497434 1365086767 /nfs/dbraw/zinc/08/67/67/1365086767.db2.gz SMSKOYMEMJUEQL-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102497434 1365086770 /nfs/dbraw/zinc/08/67/70/1365086770.db2.gz SMSKOYMEMJUEQL-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596280 1365130394 /nfs/dbraw/zinc/13/03/94/1365130394.db2.gz XFURADJNVKBHKC-UYAOXDASSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCC(C)(C)C)[C@@H](C)C1 ZINC001185550164 1387745590 /nfs/dbraw/zinc/74/55/90/1387745590.db2.gz STLQUCDBMPTMSS-ROUUACIJSA-N 2 1 339.568 3.229 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C ZINC001103434869 1365558325 /nfs/dbraw/zinc/55/83/25/1365558325.db2.gz BYVYHEIOEPLIHB-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001103434869 1365558327 /nfs/dbraw/zinc/55/83/27/1365558327.db2.gz BYVYHEIOEPLIHB-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001103434869 1365558331 /nfs/dbraw/zinc/55/83/31/1365558331.db2.gz BYVYHEIOEPLIHB-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCCC)C[C@H]1C ZINC001103542650 1365623627 /nfs/dbraw/zinc/62/36/27/1365623627.db2.gz RBXGTCMBFPLBAF-RTBURBONSA-N 2 1 339.568 3.373 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CCCC)C[C@H]1C ZINC001103542650 1365623629 /nfs/dbraw/zinc/62/36/29/1365623629.db2.gz RBXGTCMBFPLBAF-RTBURBONSA-N 2 1 339.568 3.373 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001103542650 1365623632 /nfs/dbraw/zinc/62/36/32/1365623632.db2.gz RBXGTCMBFPLBAF-RTBURBONSA-N 2 1 339.568 3.373 20 0 EGADMP CCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001104290556 1365976991 /nfs/dbraw/zinc/97/69/91/1365976991.db2.gz CJRLTJMGCOQHNT-KZNAEPCWSA-N 2 1 346.519 3.025 20 0 EGADMP CCCCC[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104312616 1365979326 /nfs/dbraw/zinc/97/93/26/1365979326.db2.gz KJWQSMCYIGJXFP-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001104362955 1365988138 /nfs/dbraw/zinc/98/81/38/1365988138.db2.gz ROLBJRHRIAGBMA-ZWHYWQQASA-N 2 1 337.552 3.147 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1)c1cccc(F)c1 ZINC001185706866 1387783040 /nfs/dbraw/zinc/78/30/40/1387783040.db2.gz SCHHQICVMKNUMW-CRAIPNDOSA-N 2 1 349.494 3.055 20 0 EGADMP CCCCC[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001104793539 1366175471 /nfs/dbraw/zinc/17/54/71/1366175471.db2.gz BEMJGVMIDZZPMZ-IEBWSBKVSA-N 2 1 348.535 3.236 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([C@H]2[NH+](C(C)C)CC23CCC3)CC1 ZINC001105393617 1366441883 /nfs/dbraw/zinc/44/18/83/1366441883.db2.gz CWQSGTQNHPCDDU-GOSISDBHSA-N 2 1 349.563 3.218 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC([C@H]2[N@@H+](C(C)C)CC23CCC3)CC1 ZINC001105393617 1366441888 /nfs/dbraw/zinc/44/18/88/1366441888.db2.gz CWQSGTQNHPCDDU-GOSISDBHSA-N 2 1 349.563 3.218 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC([C@H]2[N@H+](C(C)C)CC23CCC3)CC1 ZINC001105393617 1366441892 /nfs/dbraw/zinc/44/18/92/1366441892.db2.gz CWQSGTQNHPCDDU-GOSISDBHSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105562139 1366531629 /nfs/dbraw/zinc/53/16/29/1366531629.db2.gz XGHWWXSWURDZLL-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CC[C@H](C)C2)CCC1 ZINC001105563326 1366532892 /nfs/dbraw/zinc/53/28/92/1366532892.db2.gz JYCCIJHIQNMOQZ-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C1(C[NH2+]C(C)C)CCC1 ZINC001105574595 1366539564 /nfs/dbraw/zinc/53/95/64/1366539564.db2.gz BSONPRQTCADTRF-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105576858 1366541366 /nfs/dbraw/zinc/54/13/66/1366541366.db2.gz MOOMMMVKODQIIA-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001106321902 1366653325 /nfs/dbraw/zinc/65/33/25/1366653325.db2.gz HINXHIXFBHYUDW-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CC)[C@H](C)C1 ZINC001106775561 1366794560 /nfs/dbraw/zinc/79/45/60/1366794560.db2.gz PCUYGEJRZPTUPZ-IPMKNSEASA-N 2 1 339.568 3.229 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107410888 1366956208 /nfs/dbraw/zinc/95/62/08/1366956208.db2.gz ZHJYCFHCYYWPMC-ANTGDGSKSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107410888 1366956210 /nfs/dbraw/zinc/95/62/10/1366956210.db2.gz ZHJYCFHCYYWPMC-ANTGDGSKSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107410888 1366956213 /nfs/dbraw/zinc/95/62/13/1366956213.db2.gz ZHJYCFHCYYWPMC-ANTGDGSKSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001107413359 1366957162 /nfs/dbraw/zinc/95/71/62/1366957162.db2.gz BZUCGTZYCZJYCO-MBOZVWFJSA-N 2 1 346.519 3.167 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001107413359 1366957163 /nfs/dbraw/zinc/95/71/63/1366957163.db2.gz BZUCGTZYCZJYCO-MBOZVWFJSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438692 1366963925 /nfs/dbraw/zinc/96/39/25/1366963925.db2.gz GWVMLWONTGFSRI-TZIWHRDSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438692 1366963928 /nfs/dbraw/zinc/96/39/28/1366963928.db2.gz GWVMLWONTGFSRI-TZIWHRDSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438692 1366963930 /nfs/dbraw/zinc/96/39/30/1366963930.db2.gz GWVMLWONTGFSRI-TZIWHRDSSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@]1(C)CCC[NH+](CCC2CCCC2)C1)C1CCC1 ZINC001324945625 1387842760 /nfs/dbraw/zinc/84/27/60/1387842760.db2.gz ZVRBGKMPBVFVTB-OAQYLSRUSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NC[C@@]1(C)CCC[N@H+](CCC2CCCC2)C1)C1CCC1 ZINC001324945625 1387842770 /nfs/dbraw/zinc/84/27/70/1387842770.db2.gz ZVRBGKMPBVFVTB-OAQYLSRUSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NC[C@@]1(C)CCC[N@@H+](CCC2CCCC2)C1)C1CCC1 ZINC001324945625 1387842776 /nfs/dbraw/zinc/84/27/76/1387842776.db2.gz ZVRBGKMPBVFVTB-OAQYLSRUSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107495766 1366995109 /nfs/dbraw/zinc/99/51/09/1366995109.db2.gz VSYFPFXKSAJNBX-WIYYLYMNSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107524105 1367017510 /nfs/dbraw/zinc/01/75/10/1367017510.db2.gz HXOBKVTZYOKZER-UYAOXDASSA-N 2 1 337.552 3.269 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107524161 1367017583 /nfs/dbraw/zinc/01/75/83/1367017583.db2.gz KWWKVSVEWMDGHT-RTVDBWQISA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546774 1367036814 /nfs/dbraw/zinc/03/68/14/1367036814.db2.gz PAIAYHONYHYJLK-QKNQBKEWSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546774 1367036817 /nfs/dbraw/zinc/03/68/17/1367036817.db2.gz PAIAYHONYHYJLK-QKNQBKEWSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546774 1367036819 /nfs/dbraw/zinc/03/68/19/1367036819.db2.gz PAIAYHONYHYJLK-QKNQBKEWSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2)C(C)C ZINC001107582234 1367056115 /nfs/dbraw/zinc/05/61/15/1367056115.db2.gz YRAHZHWOHKHSTG-SFHLNBCPSA-N 2 1 349.563 3.124 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107598649 1367065424 /nfs/dbraw/zinc/06/54/24/1367065424.db2.gz PFABFSYZHMUTKE-CWHLKURSSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001107598649 1367065430 /nfs/dbraw/zinc/06/54/30/1367065430.db2.gz PFABFSYZHMUTKE-CWHLKURSSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001107598649 1367065433 /nfs/dbraw/zinc/06/54/33/1367065433.db2.gz PFABFSYZHMUTKE-CWHLKURSSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646381 1367090335 /nfs/dbraw/zinc/09/03/35/1367090335.db2.gz HVDFFFXBICOEKZ-SVFBPWRDSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109399307 1367103933 /nfs/dbraw/zinc/10/39/33/1367103933.db2.gz FYNRIXNHKMQRFV-YRPNKDGESA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109399307 1367103936 /nfs/dbraw/zinc/10/39/36/1367103936.db2.gz FYNRIXNHKMQRFV-YRPNKDGESA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001109399307 1367103939 /nfs/dbraw/zinc/10/39/39/1367103939.db2.gz FYNRIXNHKMQRFV-YRPNKDGESA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109419442 1367113111 /nfs/dbraw/zinc/11/31/11/1367113111.db2.gz PTWJVRZWRPAHAL-RDGPPVDQSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001109419442 1367113117 /nfs/dbraw/zinc/11/31/17/1367113117.db2.gz PTWJVRZWRPAHAL-RDGPPVDQSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001109419442 1367113119 /nfs/dbraw/zinc/11/31/19/1367113119.db2.gz PTWJVRZWRPAHAL-RDGPPVDQSA-N 2 1 335.536 3.019 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190084903 1367169574 /nfs/dbraw/zinc/16/95/74/1367169574.db2.gz TYXVCSMUFKQIAN-YMHTTXFNSA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190084903 1367169579 /nfs/dbraw/zinc/16/95/79/1367169579.db2.gz TYXVCSMUFKQIAN-YMHTTXFNSA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084903 1367169582 /nfs/dbraw/zinc/16/95/82/1367169582.db2.gz TYXVCSMUFKQIAN-YMHTTXFNSA-N 2 1 335.536 3.138 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109560749 1367198693 /nfs/dbraw/zinc/19/86/93/1367198693.db2.gz PILRIRWPJDIEPN-RNQOJCNYSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001109560749 1367198698 /nfs/dbraw/zinc/19/86/98/1367198698.db2.gz PILRIRWPJDIEPN-RNQOJCNYSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001109560749 1367198704 /nfs/dbraw/zinc/19/87/04/1367198704.db2.gz PILRIRWPJDIEPN-RNQOJCNYSA-N 2 1 349.563 3.409 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@]1(C)CCC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC001324974974 1387864477 /nfs/dbraw/zinc/86/44/77/1387864477.db2.gz DEEUBJVSFQVJEZ-XLIONFOSSA-N 2 1 348.535 3.092 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@]1(C)CCC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001324974974 1387864484 /nfs/dbraw/zinc/86/44/84/1387864484.db2.gz DEEUBJVSFQVJEZ-XLIONFOSSA-N 2 1 348.535 3.092 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@]1(C)CCC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC001324974972 1387864840 /nfs/dbraw/zinc/86/48/40/1387864840.db2.gz DEEUBJVSFQVJEZ-FXAWDEMLSA-N 2 1 348.535 3.092 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@]1(C)CCC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001324974972 1387864844 /nfs/dbraw/zinc/86/48/44/1387864844.db2.gz DEEUBJVSFQVJEZ-FXAWDEMLSA-N 2 1 348.535 3.092 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190655153 1367319162 /nfs/dbraw/zinc/31/91/62/1367319162.db2.gz OATPXGRFPTYURY-RBUKOAKNSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190655153 1367319168 /nfs/dbraw/zinc/31/91/68/1367319168.db2.gz OATPXGRFPTYURY-RBUKOAKNSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190655153 1367319172 /nfs/dbraw/zinc/31/91/72/1367319172.db2.gz OATPXGRFPTYURY-RBUKOAKNSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190655152 1367319208 /nfs/dbraw/zinc/31/92/08/1367319208.db2.gz OATPXGRFPTYURY-OALUTQOASA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190655152 1367319214 /nfs/dbraw/zinc/31/92/14/1367319214.db2.gz OATPXGRFPTYURY-OALUTQOASA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190655152 1367319218 /nfs/dbraw/zinc/31/92/18/1367319218.db2.gz OATPXGRFPTYURY-OALUTQOASA-N 2 1 337.552 3.362 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190743219 1367340233 /nfs/dbraw/zinc/34/02/33/1367340233.db2.gz IPAGLQUKLACJBK-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001190743219 1367340237 /nfs/dbraw/zinc/34/02/37/1367340237.db2.gz IPAGLQUKLACJBK-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001190743219 1367340241 /nfs/dbraw/zinc/34/02/41/1367340241.db2.gz IPAGLQUKLACJBK-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109844665 1367354081 /nfs/dbraw/zinc/35/40/81/1367354081.db2.gz CFXUTDANFXRGPH-QYZOEREBSA-N 2 1 346.519 3.129 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109844665 1367354086 /nfs/dbraw/zinc/35/40/86/1367354086.db2.gz CFXUTDANFXRGPH-QYZOEREBSA-N 2 1 346.519 3.129 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1cccc(C)c1 ZINC001109868300 1367370521 /nfs/dbraw/zinc/37/05/21/1367370521.db2.gz KCKULJPMJCZMGB-LMCOJAPRSA-N 2 1 343.515 3.119 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)Cc2cc(C)ccc2C)C1 ZINC001191020592 1367404164 /nfs/dbraw/zinc/40/41/64/1367404164.db2.gz YLCSFAHSFKWJPP-LJQANCHMSA-N 2 1 345.531 3.066 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2C)C1 ZINC001191020592 1367404167 /nfs/dbraw/zinc/40/41/67/1367404167.db2.gz YLCSFAHSFKWJPP-LJQANCHMSA-N 2 1 345.531 3.066 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)ccc2C)C1 ZINC001191020592 1367404170 /nfs/dbraw/zinc/40/41/70/1367404170.db2.gz YLCSFAHSFKWJPP-LJQANCHMSA-N 2 1 345.531 3.066 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CCCC2CCCC2)C1 ZINC001191030225 1367405981 /nfs/dbraw/zinc/40/59/81/1367405981.db2.gz SAFDENFEXYSAIT-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001191030225 1367405984 /nfs/dbraw/zinc/40/59/84/1367405984.db2.gz SAFDENFEXYSAIT-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001191030225 1367405987 /nfs/dbraw/zinc/40/59/87/1367405987.db2.gz SAFDENFEXYSAIT-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001191031166 1367406368 /nfs/dbraw/zinc/40/63/68/1367406368.db2.gz YAEXQUJUFOEWQF-IBGZPJMESA-N 2 1 345.531 3.066 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001191031166 1367406370 /nfs/dbraw/zinc/40/63/70/1367406370.db2.gz YAEXQUJUFOEWQF-IBGZPJMESA-N 2 1 345.531 3.066 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CC[C@H]([N@@H+](C)CC3CCCC3)C2)CCCCC1 ZINC001191542859 1367525240 /nfs/dbraw/zinc/52/52/40/1367525240.db2.gz JGEQZBMNWIITOT-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191561697 1367528427 /nfs/dbraw/zinc/52/84/27/1367528427.db2.gz RPFRKNBSHDYQLB-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CC[C@@H]([N@@H+](C)CC3=CCCCC3)C2)CCCC1 ZINC001191561419 1367528599 /nfs/dbraw/zinc/52/85/99/1367528599.db2.gz MIVABZTYVJXZCF-LJQANCHMSA-N 2 1 347.547 3.284 20 0 EGADMP CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001108713870 1367551685 /nfs/dbraw/zinc/55/16/85/1367551685.db2.gz BNVUNUGLKICJBA-SCTDSRPQSA-N 2 1 349.563 3.409 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001108831460 1367624814 /nfs/dbraw/zinc/62/48/14/1367624814.db2.gz GDUPYYYXXQCUPO-BKFNIVOESA-N 2 1 335.536 3.042 20 0 EGADMP CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191948151 1367646319 /nfs/dbraw/zinc/64/63/19/1367646319.db2.gz MDCGCTSZEBMSSE-RBUKOAKNSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191948151 1367646324 /nfs/dbraw/zinc/64/63/24/1367646324.db2.gz MDCGCTSZEBMSSE-RBUKOAKNSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191948151 1367646329 /nfs/dbraw/zinc/64/63/29/1367646329.db2.gz MDCGCTSZEBMSSE-RBUKOAKNSA-N 2 1 335.536 3.116 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001192045578 1367673868 /nfs/dbraw/zinc/67/38/68/1367673868.db2.gz GLDWKDHHUKPKLG-RBUKOAKNSA-N 2 1 345.531 3.239 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001192171846 1367707120 /nfs/dbraw/zinc/70/71/20/1367707120.db2.gz WZJNPLXLRCFXPE-XLIONFOSSA-N 2 1 345.531 3.355 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001192317342 1367748594 /nfs/dbraw/zinc/74/85/94/1367748594.db2.gz SBDDNUCFFWDPKO-WOJBJXKFSA-N 2 1 345.531 3.148 20 0 EGADMP C[NH+](CCC1=CCCCC1)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192406132 1367774489 /nfs/dbraw/zinc/77/44/89/1367774489.db2.gz BLWYJDGGWQJHBW-IBGZPJMESA-N 2 1 349.563 3.388 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]([N@H+](C)CCC2=CCCCC2)C1)CC(C)(C)C ZINC001192406132 1367774496 /nfs/dbraw/zinc/77/44/96/1367774496.db2.gz BLWYJDGGWQJHBW-IBGZPJMESA-N 2 1 349.563 3.388 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]([N@@H+](C)CCC2=CCCCC2)C1)CC(C)(C)C ZINC001192406132 1367774500 /nfs/dbraw/zinc/77/45/00/1367774500.db2.gz BLWYJDGGWQJHBW-IBGZPJMESA-N 2 1 349.563 3.388 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([N@@H+](C)C[C@H](C)CC(C)C)C1 ZINC001192859402 1367890355 /nfs/dbraw/zinc/89/03/55/1367890355.db2.gz XDEDQADJBRWCOV-MJGOQNOKSA-N 2 1 348.535 3.187 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([N@H+](C)C[C@H](C)CC(C)C)C1 ZINC001192859402 1367890360 /nfs/dbraw/zinc/89/03/60/1367890360.db2.gz XDEDQADJBRWCOV-MJGOQNOKSA-N 2 1 348.535 3.187 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110660573 1367903208 /nfs/dbraw/zinc/90/32/08/1367903208.db2.gz FYNRIXNHKMQRFV-NMLBUPMWSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110660573 1367903211 /nfs/dbraw/zinc/90/32/11/1367903211.db2.gz FYNRIXNHKMQRFV-NMLBUPMWSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001110660573 1367903215 /nfs/dbraw/zinc/90/32/15/1367903215.db2.gz FYNRIXNHKMQRFV-NMLBUPMWSA-N 2 1 349.563 3.407 20 0 EGADMP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC(C)(C)C)CCC1 ZINC001110664143 1367905981 /nfs/dbraw/zinc/90/59/81/1367905981.db2.gz HLXDSRGZDBQRDL-ZACQAIPSSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948646 1367910503 /nfs/dbraw/zinc/91/05/03/1367910503.db2.gz UUWUUVZOQRBUBA-RTBURBONSA-N 2 1 349.494 3.151 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001110683088 1367925223 /nfs/dbraw/zinc/92/52/23/1367925223.db2.gz PUHHOXUPPQTTIS-MKXGPGLRSA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001110683088 1367925226 /nfs/dbraw/zinc/92/52/26/1367925226.db2.gz PUHHOXUPPQTTIS-MKXGPGLRSA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001110683088 1367925228 /nfs/dbraw/zinc/92/52/28/1367925228.db2.gz PUHHOXUPPQTTIS-MKXGPGLRSA-N 2 1 335.536 3.163 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110684456 1367926009 /nfs/dbraw/zinc/92/60/09/1367926009.db2.gz LDCOSHSVHGWWAG-MKXGPGLRSA-N 2 1 349.563 3.409 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001110684456 1367926014 /nfs/dbraw/zinc/92/60/14/1367926014.db2.gz LDCOSHSVHGWWAG-MKXGPGLRSA-N 2 1 349.563 3.409 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001110684456 1367926020 /nfs/dbraw/zinc/92/60/20/1367926020.db2.gz LDCOSHSVHGWWAG-MKXGPGLRSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001110684582 1367926486 /nfs/dbraw/zinc/92/64/86/1367926486.db2.gz PTWJVRZWRPAHAL-MKXGPGLRSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001110684582 1367926490 /nfs/dbraw/zinc/92/64/90/1367926490.db2.gz PTWJVRZWRPAHAL-MKXGPGLRSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001110684582 1367926493 /nfs/dbraw/zinc/92/64/93/1367926493.db2.gz PTWJVRZWRPAHAL-MKXGPGLRSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2cc(C)cc(C)c2)C1 ZINC001193601151 1368070529 /nfs/dbraw/zinc/07/05/29/1368070529.db2.gz UHELINCXUPUGKZ-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001193601151 1368070533 /nfs/dbraw/zinc/07/05/33/1368070533.db2.gz UHELINCXUPUGKZ-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001193601151 1368070537 /nfs/dbraw/zinc/07/05/37/1368070537.db2.gz UHELINCXUPUGKZ-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1)[NH+](CC)CC ZINC001111017944 1368143724 /nfs/dbraw/zinc/14/37/24/1368143724.db2.gz HLFIOWPPYHNXRR-ZRNYENFQSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228046 1368212527 /nfs/dbraw/zinc/21/25/27/1368212527.db2.gz PIWOYIYWLIPABG-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](CC1CCCCCC1)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228048 1368212760 /nfs/dbraw/zinc/21/27/60/1368212760.db2.gz PIZOKBNNQOUMKN-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227944 1368212967 /nfs/dbraw/zinc/21/29/67/1368212967.db2.gz OPNSYWUMQSNOEH-FQEVSTJZSA-N 2 1 345.531 3.331 20 0 EGADMP CC[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194406964 1368254372 /nfs/dbraw/zinc/25/43/72/1368254372.db2.gz FEEKAXZCXUPODG-DLBZAZTESA-N 2 1 349.519 3.314 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001111454063 1368309848 /nfs/dbraw/zinc/30/98/48/1368309848.db2.gz JJABICUJPBHMAT-AQNXPRMDSA-N 2 1 347.547 3.164 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC001186411993 1387937396 /nfs/dbraw/zinc/93/73/96/1387937396.db2.gz GOLUHEPWWRLLFZ-GOSISDBHSA-N 2 1 349.494 3.028 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001111753168 1368443445 /nfs/dbraw/zinc/44/34/45/1368443445.db2.gz FTAPRAFYRYAMAS-CLQMDGDTSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001111753168 1368443446 /nfs/dbraw/zinc/44/34/46/1368443446.db2.gz FTAPRAFYRYAMAS-CLQMDGDTSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001111753168 1368443448 /nfs/dbraw/zinc/44/34/48/1368443448.db2.gz FTAPRAFYRYAMAS-CLQMDGDTSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782340 1368459357 /nfs/dbraw/zinc/45/93/57/1368459357.db2.gz FBPWVNUDFLZPFN-OMNYCCODSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001111782340 1368459362 /nfs/dbraw/zinc/45/93/62/1368459362.db2.gz FBPWVNUDFLZPFN-OMNYCCODSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001111782340 1368459369 /nfs/dbraw/zinc/45/93/69/1368459369.db2.gz FBPWVNUDFLZPFN-OMNYCCODSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111875256 1368521571 /nfs/dbraw/zinc/52/15/71/1368521571.db2.gz VHCIAQPRMJPXQZ-BCIWSWNRSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163441 1368560463 /nfs/dbraw/zinc/56/04/63/1368560463.db2.gz OESMATIAEKKELD-QGZVFWFLSA-N 2 1 346.519 3.121 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163441 1368560467 /nfs/dbraw/zinc/56/04/67/1368560467.db2.gz OESMATIAEKKELD-QGZVFWFLSA-N 2 1 346.519 3.121 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947387 1368570585 /nfs/dbraw/zinc/57/05/85/1368570585.db2.gz FWUSJFOZEJDUAE-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001196373994 1368599868 /nfs/dbraw/zinc/59/98/68/1368599868.db2.gz BHZJDKFAIRTOBU-UHFFFAOYSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCC[NH+]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001196373994 1368599872 /nfs/dbraw/zinc/59/98/72/1368599872.db2.gz BHZJDKFAIRTOBU-UHFFFAOYSA-N 2 1 337.552 3.364 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619929 1368651634 /nfs/dbraw/zinc/65/16/34/1368651634.db2.gz PMBIWYKAUHKZIL-DPZZJQGRSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCN(C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001197125868 1368750415 /nfs/dbraw/zinc/75/04/15/1368750415.db2.gz NIYJKQUELUFHRQ-INIZCTEOSA-N 2 1 346.519 3.190 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001197142294 1368753312 /nfs/dbraw/zinc/75/33/12/1368753312.db2.gz WMNQQMMXSYHVCE-OEIFXAAASA-N 2 1 337.552 3.388 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001197157956 1368756897 /nfs/dbraw/zinc/75/68/97/1368756897.db2.gz BEOAITPIVMAVHQ-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001197157956 1368756901 /nfs/dbraw/zinc/75/69/01/1368756901.db2.gz BEOAITPIVMAVHQ-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001197157956 1368756905 /nfs/dbraw/zinc/75/69/05/1368756905.db2.gz BEOAITPIVMAVHQ-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001197187295 1368761464 /nfs/dbraw/zinc/76/14/64/1368761464.db2.gz DFCIJPPBEMHZIX-GOSISDBHSA-N 2 1 345.531 3.260 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001197187295 1368761469 /nfs/dbraw/zinc/76/14/69/1368761469.db2.gz DFCIJPPBEMHZIX-GOSISDBHSA-N 2 1 345.531 3.260 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001197187295 1368761471 /nfs/dbraw/zinc/76/14/71/1368761471.db2.gz DFCIJPPBEMHZIX-GOSISDBHSA-N 2 1 345.531 3.260 20 0 EGADMP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001112444160 1368859212 /nfs/dbraw/zinc/85/92/12/1368859212.db2.gz HOTORXNNSIIDGB-ZJOUEHCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001197809789 1368903649 /nfs/dbraw/zinc/90/36/49/1368903649.db2.gz INEBUUNWERLDPS-KJYWSYJISA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001112529596 1368915869 /nfs/dbraw/zinc/91/58/69/1368915869.db2.gz HAADWLJCXXUAPH-LDSQQPLRSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC001197870337 1368916010 /nfs/dbraw/zinc/91/60/10/1368916010.db2.gz FIVJWSDWBXMRQI-UHFFFAOYSA-N 2 1 335.536 3.143 20 0 EGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCC[NH+](C)C)CC2)c(C)c1 ZINC001197871308 1368916632 /nfs/dbraw/zinc/91/66/32/1368916632.db2.gz PZQRJMVDZITGQH-UHFFFAOYSA-N 2 1 345.531 3.070 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC([C@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC001186597111 1387978891 /nfs/dbraw/zinc/97/88/91/1387978891.db2.gz FPIIEUYNRIRQLU-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP C[N@@H+](CC(=O)N1CC[NH+](CC2CCC3(CC3)CC2)CC1)CC(C)(C)C ZINC001113353095 1369364652 /nfs/dbraw/zinc/36/46/52/1369364652.db2.gz LSCPHIJFUOAOAI-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001200451249 1369371606 /nfs/dbraw/zinc/37/16/06/1369371606.db2.gz XVRKDSILLJTJAR-MRXNPFEDSA-N 2 1 340.254 3.278 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001200578560 1369393640 /nfs/dbraw/zinc/39/36/40/1369393640.db2.gz XFPZPWPCSJDLFX-DYIICSRESA-N 2 1 347.547 3.188 20 0 EGADMP CCCCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001200578263 1369393737 /nfs/dbraw/zinc/39/37/37/1369393737.db2.gz QCJUIQIYKJRFHI-SFHVURJKSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001113441633 1369431218 /nfs/dbraw/zinc/43/12/18/1369431218.db2.gz KLHQHCACQQXOPB-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001200893612 1369445251 /nfs/dbraw/zinc/44/52/51/1369445251.db2.gz FYYBYHGACZNUQN-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC/C=C/CC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001113520008 1369474908 /nfs/dbraw/zinc/47/49/08/1369474908.db2.gz HLXNOLTXQINSFI-WSSFADSRSA-N 2 1 335.536 3.142 20 0 EGADMP CC/C=C/CC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001113520008 1369474916 /nfs/dbraw/zinc/47/49/16/1369474916.db2.gz HLXNOLTXQINSFI-WSSFADSRSA-N 2 1 335.536 3.142 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001201326759 1369520653 /nfs/dbraw/zinc/52/06/53/1369520653.db2.gz ATPLQFBKKMKDQM-QGZVFWFLSA-N 2 1 345.531 3.367 20 0 EGADMP CC(C)(C)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001201434979 1369544993 /nfs/dbraw/zinc/54/49/93/1369544993.db2.gz NOHPNVJBARARLM-CTNGQTDRSA-N 2 1 334.548 3.493 20 0 EGADMP CC(C)(C)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201434979 1369544995 /nfs/dbraw/zinc/54/49/95/1369544995.db2.gz NOHPNVJBARARLM-CTNGQTDRSA-N 2 1 334.548 3.493 20 0 EGADMP CC(C)(C)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201434979 1369545000 /nfs/dbraw/zinc/54/50/00/1369545000.db2.gz NOHPNVJBARARLM-CTNGQTDRSA-N 2 1 334.548 3.493 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001201503390 1369558442 /nfs/dbraw/zinc/55/84/42/1369558442.db2.gz PDKQQXZTIVQJMM-YYWHXJBOSA-N 2 1 334.548 3.493 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201503390 1369558445 /nfs/dbraw/zinc/55/84/45/1369558445.db2.gz PDKQQXZTIVQJMM-YYWHXJBOSA-N 2 1 334.548 3.493 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201503390 1369558448 /nfs/dbraw/zinc/55/84/48/1369558448.db2.gz PDKQQXZTIVQJMM-YYWHXJBOSA-N 2 1 334.548 3.493 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001113684103 1369564336 /nfs/dbraw/zinc/56/43/36/1369564336.db2.gz OAFYPVAJLWFDIA-UYAOXDASSA-N 2 1 345.531 3.116 20 0 EGADMP CCCCC[NH+]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001113717122 1369584245 /nfs/dbraw/zinc/58/42/45/1369584245.db2.gz NYAQVLIDRONZFV-UHFFFAOYSA-N 2 1 335.492 3.069 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC([NH2+]CCC2CC2)CC1)C1CCCCC1 ZINC001201818548 1369628283 /nfs/dbraw/zinc/62/82/83/1369628283.db2.gz PERLZMAUIMKZCU-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]CCCC(C)C)CC2)C1 ZINC001202145312 1369701123 /nfs/dbraw/zinc/70/11/23/1369701123.db2.gz YWRAQVNHGMVUHP-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001114303887 1369869953 /nfs/dbraw/zinc/86/99/53/1369869953.db2.gz GSSKQVJBGLTSEB-MIALQEHNSA-N 2 1 346.519 3.023 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001114303887 1369869955 /nfs/dbraw/zinc/86/99/55/1369869955.db2.gz GSSKQVJBGLTSEB-MIALQEHNSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001202757638 1369881604 /nfs/dbraw/zinc/88/16/04/1369881604.db2.gz OQXWGZCMYWRAIF-UHFFFAOYSA-N 2 1 348.535 3.413 20 0 EGADMP CC/C=C/CC[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001202758164 1369881684 /nfs/dbraw/zinc/88/16/84/1369881684.db2.gz WVACHXGWTMALPC-AATRIKPKSA-N 2 1 346.519 3.334 20 0 EGADMP FC(F)(F)COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC001325742769 1388038596 /nfs/dbraw/zinc/03/85/96/1388038596.db2.gz HEHRSTPBCZGZPC-SOUVJXGZSA-N 2 1 343.393 3.033 20 0 EGADMP Cc1nn(C)c(C)c1CN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001203063496 1369970277 /nfs/dbraw/zinc/97/02/77/1369970277.db2.gz IQSHTYZVVRETDP-UHFFFAOYSA-N 2 1 338.499 3.060 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]([NH2+]CCCC(C)C)C12CCC2 ZINC001203101735 1369983392 /nfs/dbraw/zinc/98/33/92/1369983392.db2.gz GBJBHHNVVPUTRF-DLBZAZTESA-N 2 1 337.552 3.170 20 0 EGADMP CC(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203103862 1369984118 /nfs/dbraw/zinc/98/41/18/1369984118.db2.gz NFCPCSSZJJBJRH-QZTJIDSGSA-N 2 1 349.563 3.312 20 0 EGADMP CC(C)[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203105016 1369984682 /nfs/dbraw/zinc/98/46/82/1369984682.db2.gz VIFJWKNBQWWYLM-IRXDYDNUSA-N 2 1 335.536 3.065 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203104684 1369984779 /nfs/dbraw/zinc/98/47/79/1369984779.db2.gz SOSLGHIGSJBPMF-XRZRDHLVSA-N 2 1 349.563 3.480 20 0 EGADMP Cc1cncc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)n1 ZINC001203165415 1370006669 /nfs/dbraw/zinc/00/66/69/1370006669.db2.gz GKVBKYGGMVVPCT-IBGZPJMESA-N 2 1 340.471 3.255 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+][C@@H](C)c2cc(C)ccc2C)CC1 ZINC001203214754 1370027768 /nfs/dbraw/zinc/02/77/68/1370027768.db2.gz OHRLNOOUWUMIDQ-SFHVURJKSA-N 2 1 345.531 3.287 20 0 EGADMP CC(C)[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203230664 1370033038 /nfs/dbraw/zinc/03/30/38/1370033038.db2.gz PHRAKTNTTVBLNW-MSOLQXFVSA-N 2 1 335.536 3.066 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21)[NH+](CC)CC ZINC001114828591 1370101085 /nfs/dbraw/zinc/10/10/85/1370101085.db2.gz GUDRXCNFFBEADA-ZGXWSNOMSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]CC/C=C\c2ccccc2)CC1 ZINC001203459387 1370133424 /nfs/dbraw/zinc/13/34/24/1370133424.db2.gz CUNGXTABLCAZFU-XFFZJAGNSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]CC/C=C/c2ccccc2)CC1 ZINC001203459389 1370133637 /nfs/dbraw/zinc/13/36/37/1370133637.db2.gz CUNGXTABLCAZFU-YRNVUSSQSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CCCC(C)C)C12CCC2 ZINC001203641219 1370198237 /nfs/dbraw/zinc/19/82/37/1370198237.db2.gz PMVUQKYQQZNMCO-ZWKOTPCHSA-N 2 1 337.552 3.172 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCC(C)C)C[C@H]21 ZINC001115102973 1370281352 /nfs/dbraw/zinc/28/13/52/1370281352.db2.gz BMAYEQGAJBIYPO-WCIQWLHISA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)C)C[C@H]21 ZINC001115102973 1370281356 /nfs/dbraw/zinc/28/13/56/1370281356.db2.gz BMAYEQGAJBIYPO-WCIQWLHISA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)C)C[C@H]21 ZINC001115102973 1370281358 /nfs/dbraw/zinc/28/13/58/1370281358.db2.gz BMAYEQGAJBIYPO-WCIQWLHISA-N 2 1 349.563 3.124 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001203903796 1370308008 /nfs/dbraw/zinc/30/80/08/1370308008.db2.gz NQRAEQLBCGKAAQ-RURPWVQCSA-N 2 1 335.536 3.188 20 0 EGADMP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203910329 1370310750 /nfs/dbraw/zinc/31/07/50/1370310750.db2.gz GGLNHAAUCITVMI-KKHYBRAUSA-N 2 1 343.515 3.226 20 0 EGADMP COCC[C@H]1CCCC[N@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204268255 1370427280 /nfs/dbraw/zinc/42/72/80/1370427280.db2.gz HCPZCHYQTRPXJP-LJQANCHMSA-N 2 1 334.504 3.408 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCc3ncsc3C2)cc1 ZINC001204269575 1370427875 /nfs/dbraw/zinc/42/78/75/1370427875.db2.gz FXBOBVQZQZDRER-UHFFFAOYSA-N 2 1 331.485 3.032 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCc3ncsc3C2)cc1 ZINC001204269575 1370427882 /nfs/dbraw/zinc/42/78/82/1370427882.db2.gz FXBOBVQZQZDRER-UHFFFAOYSA-N 2 1 331.485 3.032 20 0 EGADMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C)c(C)c3)CC2)C1 ZINC001204357257 1370452288 /nfs/dbraw/zinc/45/22/88/1370452288.db2.gz QOEHVBKXFNXAGV-LJQANCHMSA-N 2 1 344.499 3.153 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C)c(C)c3)CC2)C1 ZINC001204357257 1370452289 /nfs/dbraw/zinc/45/22/89/1370452289.db2.gz QOEHVBKXFNXAGV-LJQANCHMSA-N 2 1 344.499 3.153 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC(C)C)CCCCC1 ZINC001115563607 1370563078 /nfs/dbraw/zinc/56/30/78/1370563078.db2.gz XWZXVJQCHFETAC-GOSISDBHSA-N 2 1 337.552 3.316 20 0 EGADMP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001115591908 1370592981 /nfs/dbraw/zinc/59/29/81/1370592981.db2.gz KKJHYZQZBWWPJT-RTBURBONSA-N 2 1 347.547 3.212 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115596647 1370597294 /nfs/dbraw/zinc/59/72/94/1370597294.db2.gz PQICQPIOFXXYPJ-IBGZPJMESA-N 2 1 349.563 3.460 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]3CN)cc2)cc1 ZINC001204931342 1370608218 /nfs/dbraw/zinc/60/82/18/1370608218.db2.gz BCZQIBJDJCCUDC-HXUWFJFHSA-N 2 1 338.451 3.453 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@@H+]3[C@@H](C)CC[C@H]3C[NH3+])cc2)cc1 ZINC001205089064 1370647590 /nfs/dbraw/zinc/64/75/90/1370647590.db2.gz WXADIHBNAVVDRU-YWZLYKJASA-N 2 1 338.451 3.452 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3[C@@H](C)CC[C@H]3C[NH3+])cc2)cc1 ZINC001205089064 1370647591 /nfs/dbraw/zinc/64/75/91/1370647591.db2.gz WXADIHBNAVVDRU-YWZLYKJASA-N 2 1 338.451 3.452 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)Cc2ccccc21 ZINC001205164503 1370667088 /nfs/dbraw/zinc/66/70/88/1370667088.db2.gz GUVFZOGNZKZBQN-SFHVURJKSA-N 2 1 335.495 3.211 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)CC1 ZINC001205219244 1370685270 /nfs/dbraw/zinc/68/52/70/1370685270.db2.gz BBABXWWTDYLFJQ-HXUWFJFHSA-N 2 1 328.431 3.168 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205242594 1370692850 /nfs/dbraw/zinc/69/28/50/1370692850.db2.gz RYYAUUDSEIWWRW-ZMBJWTFHSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2c[nH]c3nccc(Br)c23)CC1 ZINC001205273307 1370702558 /nfs/dbraw/zinc/70/25/58/1370702558.db2.gz KEYAXYJFCWKOAV-OAHLLOKOSA-N 2 1 337.265 3.029 20 0 EGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3nccc(Br)c23)CC1 ZINC001205273307 1370702560 /nfs/dbraw/zinc/70/25/60/1370702560.db2.gz KEYAXYJFCWKOAV-OAHLLOKOSA-N 2 1 337.265 3.029 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205283739 1370705559 /nfs/dbraw/zinc/70/55/59/1370705559.db2.gz FGSBIHLIRYFKFF-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115730250 1370712881 /nfs/dbraw/zinc/71/28/81/1370712881.db2.gz GVLVTFFBHRBEES-HKUYNNGSSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115760592 1370744556 /nfs/dbraw/zinc/74/45/56/1370744556.db2.gz OFKCESFXFHJKGJ-IBGZPJMESA-N 2 1 349.563 3.458 20 0 EGADMP CCC/C=C\CC[NH2+]CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001205469498 1370764925 /nfs/dbraw/zinc/76/49/25/1370764925.db2.gz IHOGLVNOZCGWPY-WAYWQWQTSA-N 2 1 335.536 3.045 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001205545643 1370787046 /nfs/dbraw/zinc/78/70/46/1370787046.db2.gz KZSSKUKOWACVMO-VQTJNVASSA-N 2 1 333.495 3.052 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001205545643 1370787051 /nfs/dbraw/zinc/78/70/51/1370787051.db2.gz KZSSKUKOWACVMO-VQTJNVASSA-N 2 1 333.495 3.052 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001205545643 1370787053 /nfs/dbraw/zinc/78/70/53/1370787053.db2.gz KZSSKUKOWACVMO-VQTJNVASSA-N 3 1 333.495 3.052 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001205545643 1370787060 /nfs/dbraw/zinc/78/70/60/1370787060.db2.gz KZSSKUKOWACVMO-VQTJNVASSA-N 2 1 333.495 3.052 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001205545643 1370787062 /nfs/dbraw/zinc/78/70/62/1370787062.db2.gz KZSSKUKOWACVMO-VQTJNVASSA-N 2 1 333.495 3.052 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)CC1 ZINC001205579633 1370798843 /nfs/dbraw/zinc/79/88/43/1370798843.db2.gz PLPYNYQIUUZWSY-HXUWFJFHSA-N 2 1 343.446 3.314 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CC1 ZINC001205578608 1370798940 /nfs/dbraw/zinc/79/89/40/1370798940.db2.gz GVCSIOVOKPMBEO-KRWDZBQOSA-N 2 1 336.842 3.179 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cccc(Br)c2F)CC[C@H]1C[NH3+] ZINC001205617852 1370813171 /nfs/dbraw/zinc/81/31/71/1370813171.db2.gz OORVKVQBBPCZDD-RYUDHWBXSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c(C(F)(F)F)nc3sccn23)CC[C@@H]1C[NH3+] ZINC001205625220 1370816457 /nfs/dbraw/zinc/81/64/57/1370816457.db2.gz ACCYLEQZFQFSTP-WDEREUQCSA-N 2 1 346.422 3.221 20 0 EGADMP COc1c(Br)cccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205629457 1370817222 /nfs/dbraw/zinc/81/72/22/1370817222.db2.gz YXUMXPSYMRRLFV-OLZOCXBDSA-N 2 1 341.293 3.265 20 0 EGADMP COc1cc(Br)cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205638855 1370822738 /nfs/dbraw/zinc/82/27/38/1370822738.db2.gz SPBIGHZZZWHNII-TZMCWYRMSA-N 2 1 341.293 3.265 20 0 EGADMP Cc1cc(Br)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1O ZINC001205651190 1370827600 /nfs/dbraw/zinc/82/76/00/1370827600.db2.gz AZALHDOUDOOKJD-DGCLKSJQSA-N 2 1 341.293 3.270 20 0 EGADMP COc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1Br ZINC001205654967 1370830906 /nfs/dbraw/zinc/83/09/06/1370830906.db2.gz YSAUETFCUINACN-OLZOCXBDSA-N 2 1 341.293 3.265 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001205725568 1370852219 /nfs/dbraw/zinc/85/22/19/1370852219.db2.gz IOFHFGMKEARNRS-NRFANRHFSA-N 2 1 346.515 3.321 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205905281 1370906299 /nfs/dbraw/zinc/90/62/99/1370906299.db2.gz ZYSXVGVKWTYPEF-NEPJUHHUSA-N 2 1 332.366 3.153 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205905281 1370906302 /nfs/dbraw/zinc/90/63/02/1370906302.db2.gz ZYSXVGVKWTYPEF-NEPJUHHUSA-N 2 1 332.366 3.153 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CCC[C@H]1C[NH3+] ZINC001205981700 1370929098 /nfs/dbraw/zinc/92/90/98/1370929098.db2.gz FLXRFPKUYKAAIW-NRSPTQNISA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[C@H]1C[NH3+] ZINC001205981700 1370929101 /nfs/dbraw/zinc/92/91/01/1370929101.db2.gz FLXRFPKUYKAAIW-NRSPTQNISA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[C@H]1C[NH3+] ZINC001205981700 1370929106 /nfs/dbraw/zinc/92/91/06/1370929106.db2.gz FLXRFPKUYKAAIW-NRSPTQNISA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1C[N@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CCC[C@H]1C[NH3+] ZINC001205981700 1370929107 /nfs/dbraw/zinc/92/91/07/1370929107.db2.gz FLXRFPKUYKAAIW-NRSPTQNISA-N 2 1 329.532 3.205 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CCC[C@H]1C[NH3+] ZINC001205981700 1370929110 /nfs/dbraw/zinc/92/91/10/1370929110.db2.gz FLXRFPKUYKAAIW-NRSPTQNISA-N 2 1 329.532 3.205 20 0 EGADMP C[C@H](CSC(C)(C)C)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001116540937 1370933640 /nfs/dbraw/zinc/93/36/40/1370933640.db2.gz UTYBVPMTEPHBMA-QGZVFWFLSA-N 2 1 349.588 3.444 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)c2ccccc21 ZINC001326038890 1388103501 /nfs/dbraw/zinc/10/35/01/1388103501.db2.gz QIKDCJZITHKKLL-NSISKUIASA-N 2 1 335.451 3.026 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1OCC1CC1 ZINC001206003556 1370935605 /nfs/dbraw/zinc/93/56/05/1370935605.db2.gz JRKIFXFNGPZFJG-QAPCUYQASA-N 2 1 332.488 3.291 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206005915 1370936553 /nfs/dbraw/zinc/93/65/53/1370936553.db2.gz DUDFNDJDKGEIBJ-XJDXJNMNSA-N 2 1 349.563 3.293 20 0 EGADMP CC(C)Oc1ncc(Cl)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206012089 1370937994 /nfs/dbraw/zinc/93/79/94/1370937994.db2.gz ITRDKSSIVLYWQN-KBPBESRZSA-N 2 1 325.884 3.329 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CCC[C@H]1C[NH3+] ZINC001206023196 1370940911 /nfs/dbraw/zinc/94/09/11/1370940911.db2.gz DOGONAJMVDRFTA-HOCLYGCPSA-N 2 1 332.879 3.333 20 0 EGADMP CCOC(=O)c1ccc2c(C[N@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)c[nH]c2c1 ZINC001206036864 1370945156 /nfs/dbraw/zinc/94/51/56/1370945156.db2.gz SANVBKRSTGORSR-GDBMZVCRSA-N 2 1 343.471 3.151 20 0 EGADMP C[C@H]1C[N@@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CCC[C@@H]1C[NH3+] ZINC001206036698 1370945332 /nfs/dbraw/zinc/94/53/32/1370945332.db2.gz OEZPGUSNDNKDDN-NWDGAFQWSA-N 2 1 340.393 3.389 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)CCC[C@H]1C[NH3+] ZINC001206037512 1370945837 /nfs/dbraw/zinc/94/58/37/1370945837.db2.gz VZAVZXBRRJFKAK-ZJUUUORDSA-N 2 1 342.274 3.023 20 0 EGADMP CN(CCC[N@@H+](C)Cc1ccc(-c2ccc(F)cc2)o1)CC[NH+](C)C ZINC001206136130 1370968646 /nfs/dbraw/zinc/96/86/46/1370968646.db2.gz RUPSMHOUWPHQEH-UHFFFAOYSA-N 2 1 347.478 3.401 20 0 EGADMP CS[C@H]1CC[C@H]([N@@H+](C)CCCN2CCN(c3ccccc3)CC2)C1 ZINC001117133971 1371014030 /nfs/dbraw/zinc/01/40/30/1371014030.db2.gz RYVNAMXLWKMJOT-PMACEKPBSA-N 2 1 347.572 3.415 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(Br)cnc2Cl)CC1 ZINC001206304435 1371015805 /nfs/dbraw/zinc/01/58/05/1371015805.db2.gz KMSCRAGSBIIVSE-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(Br)cnc2Cl)CC1 ZINC001206304435 1371015809 /nfs/dbraw/zinc/01/58/09/1371015809.db2.gz KMSCRAGSBIIVSE-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP Cc1cncc(Br)c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206324447 1371022517 /nfs/dbraw/zinc/02/25/17/1371022517.db2.gz BQDJLNLEUYFWNK-HNNXBMFYSA-N 2 1 326.282 3.103 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2csc(-c3ccc(O)cc3)n2)CC1 ZINC001206326261 1371023468 /nfs/dbraw/zinc/02/34/68/1371023468.db2.gz MCPVSDWLPWRWPR-GOSISDBHSA-N 2 1 331.485 3.467 20 0 EGADMP Cn1nccc1CN1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001206338174 1371026686 /nfs/dbraw/zinc/02/66/86/1371026686.db2.gz XLNNGCONXPFHJP-KFKAGJAMSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1nccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001206338174 1371026697 /nfs/dbraw/zinc/02/66/97/1371026697.db2.gz XLNNGCONXPFHJP-KFKAGJAMSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1nccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001206338174 1371026700 /nfs/dbraw/zinc/02/67/00/1371026700.db2.gz XLNNGCONXPFHJP-KFKAGJAMSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1nccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001206338174 1371026711 /nfs/dbraw/zinc/02/67/11/1371026711.db2.gz XLNNGCONXPFHJP-KFKAGJAMSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1nccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001206338174 1371026717 /nfs/dbraw/zinc/02/67/17/1371026717.db2.gz XLNNGCONXPFHJP-KFKAGJAMSA-N 2 1 344.528 3.214 20 0 EGADMP CC(C)[N@H+](C[C@H](C)Cc1ccc2c(c1)OCO2)[C@H]1CCC[NH2+]CC1 ZINC001206581439 1371099599 /nfs/dbraw/zinc/09/95/99/1371099599.db2.gz IWGXAMYRPZABFS-AEFFLSMTSA-N 2 1 332.488 3.446 20 0 EGADMP COC(=O)c1cccc2[nH]cc(C[N@@H+](C(C)C)[C@H]3CCC[NH2+]CC3)c21 ZINC001206591637 1371102268 /nfs/dbraw/zinc/10/22/68/1371102268.db2.gz UNMANFNVFRXMID-INIZCTEOSA-N 2 1 343.471 3.307 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC001206622013 1371110908 /nfs/dbraw/zinc/11/09/08/1371110908.db2.gz SJWISQOFUHEVSW-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cccnc2OCc2ccccc2)C1 ZINC001206648016 1371118440 /nfs/dbraw/zinc/11/84/40/1371118440.db2.gz KYUXJCGNUTXFEO-SFHVURJKSA-N 2 1 325.456 3.221 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccnc2OCc2ccccc2)C1 ZINC001206648016 1371118446 /nfs/dbraw/zinc/11/84/46/1371118446.db2.gz KYUXJCGNUTXFEO-SFHVURJKSA-N 2 1 325.456 3.221 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](OCC[NH+]4CCCCC4)[C@H]3C2)cc1 ZINC001206718060 1371143588 /nfs/dbraw/zinc/14/35/88/1371143588.db2.gz MXTROEQEBNGYPV-ACRUOGEOSA-N 2 1 328.500 3.400 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccc(OC2CC[NH+](C)CC2)cn1 ZINC001206738103 1371149679 /nfs/dbraw/zinc/14/96/79/1371149679.db2.gz WLEJEAGWWNNKOR-UHFFFAOYSA-N 2 1 341.459 3.068 20 0 EGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CCCc1ccccc1Br ZINC001206760898 1371156038 /nfs/dbraw/zinc/15/60/38/1371156038.db2.gz NKDDDONWNSKKAE-UONOGXRCSA-N 2 1 325.294 3.441 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCCc1ccc(Br)cc1 ZINC001206761280 1371156527 /nfs/dbraw/zinc/15/65/27/1371156527.db2.gz VXDLEMBQNOUFGO-ZFWWWQNUSA-N 2 1 325.294 3.441 20 0 EGADMP COc1ccc(-c2ncc(C[N@H+]3C[C@H](C[NH3+])CC[C@H]3C)s2)cc1 ZINC001206768346 1371158746 /nfs/dbraw/zinc/15/87/46/1371158746.db2.gz JUTRCWXEXLDPOA-KGLIPLIRSA-N 2 1 331.485 3.378 20 0 EGADMP COc1ccc(-c2ncc(C[N@H+]3C[C@@H](C[NH3+])CC[C@H]3C)s2)cc1 ZINC001206768348 1371158806 /nfs/dbraw/zinc/15/88/06/1371158806.db2.gz JUTRCWXEXLDPOA-ZIAGYGMSSA-N 2 1 331.485 3.378 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001206772228 1371160351 /nfs/dbraw/zinc/16/03/51/1371160351.db2.gz ZJXGVOIACGAUTD-RYUDHWBXSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001206771726 1371160494 /nfs/dbraw/zinc/16/04/94/1371160494.db2.gz XKHOVBZHYOQCEV-YPMHNXCESA-N 2 1 334.357 3.483 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1 ZINC001206889098 1371208609 /nfs/dbraw/zinc/20/86/09/1371208609.db2.gz APAHMGMBPQJPST-UHFFFAOYSA-N 2 1 339.568 3.373 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001206953649 1371243268 /nfs/dbraw/zinc/24/32/68/1371243268.db2.gz XQQXHVRYAINBPM-GOSISDBHSA-N 2 1 345.531 3.224 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC(C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001206954738 1371245088 /nfs/dbraw/zinc/24/50/88/1371245088.db2.gz UZXZJKIIZCTCIQ-MRXNPFEDSA-N 2 1 349.494 3.055 20 0 EGADMP Cc1cncc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001207156150 1371312989 /nfs/dbraw/zinc/31/29/89/1371312989.db2.gz AXMHNZKECPNSQX-UHFFFAOYSA-N 2 1 336.483 3.273 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001207232442 1371336319 /nfs/dbraw/zinc/33/63/19/1371336319.db2.gz VBHGSJUBWLEVJW-IKJDWHLJSA-N 2 1 349.544 3.216 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001207232442 1371336325 /nfs/dbraw/zinc/33/63/25/1371336325.db2.gz VBHGSJUBWLEVJW-IKJDWHLJSA-N 2 1 349.544 3.216 20 0 EGADMP CC[N@H+](C)C1CC[NH+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001207245916 1371340175 /nfs/dbraw/zinc/34/01/75/1371340175.db2.gz HXQIXAYYGVEGEU-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP CC[N@@H+](C)C1CC[NH+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001207245916 1371340181 /nfs/dbraw/zinc/34/01/81/1371340181.db2.gz HXQIXAYYGVEGEU-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP CC[C@@H]1[N@@H+](CC(C)(C)C[NH+](C)C)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001207280424 1371348859 /nfs/dbraw/zinc/34/88/59/1371348859.db2.gz RPNCXOUBFLVCON-RXVVDRJESA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C)CC(C)(C)CN1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001207282529 1371350612 /nfs/dbraw/zinc/35/06/12/1371350612.db2.gz SMADYBSVYXMNBD-OAQYLSRUSA-N 2 1 347.522 3.454 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001207282529 1371350614 /nfs/dbraw/zinc/35/06/14/1371350614.db2.gz SMADYBSVYXMNBD-OAQYLSRUSA-N 2 1 347.522 3.454 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001207282529 1371350619 /nfs/dbraw/zinc/35/06/19/1371350619.db2.gz SMADYBSVYXMNBD-OAQYLSRUSA-N 2 1 347.522 3.454 20 0 EGADMP COC(=O)[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)[C@H](c2ccccc2)C1 ZINC001207288251 1371351187 /nfs/dbraw/zinc/35/11/87/1371351187.db2.gz LRASNZNOMHCVEW-MSOLQXFVSA-N 2 1 332.488 3.201 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)[C@H](c2ccccc2)C1 ZINC001207288251 1371351193 /nfs/dbraw/zinc/35/11/93/1371351193.db2.gz LRASNZNOMHCVEW-MSOLQXFVSA-N 2 1 332.488 3.201 20 0 EGADMP CCC[N@@H+](CC(C)(C)C[NH+](C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207289140 1371352912 /nfs/dbraw/zinc/35/29/12/1371352912.db2.gz ZVADYARQKUCOAZ-MRXNPFEDSA-N 2 1 341.540 3.296 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](CCCc3ccc(Br)cc3)C[C@@H]2C1 ZINC001207315755 1371358766 /nfs/dbraw/zinc/35/87/66/1371358766.db2.gz JHVIIRQRQGHNHJ-CVEARBPZSA-N 2 1 337.305 3.265 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](CCCc3ccc(Br)cc3)C[C@@H]2C1 ZINC001207315755 1371358769 /nfs/dbraw/zinc/35/87/69/1371358769.db2.gz JHVIIRQRQGHNHJ-CVEARBPZSA-N 2 1 337.305 3.265 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCc3ccc(Br)cc3)C[C@@H]2C1 ZINC001207315755 1371358775 /nfs/dbraw/zinc/35/87/75/1371358775.db2.gz JHVIIRQRQGHNHJ-CVEARBPZSA-N 2 1 337.305 3.265 20 0 EGADMP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC001119524149 1371362137 /nfs/dbraw/zinc/36/21/37/1371362137.db2.gz DTJJZJSULFEVKY-SFHVURJKSA-N 2 1 329.488 3.136 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC001119524149 1371362152 /nfs/dbraw/zinc/36/21/52/1371362152.db2.gz DTJJZJSULFEVKY-SFHVURJKSA-N 2 1 329.488 3.136 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC001119527548 1371362612 /nfs/dbraw/zinc/36/26/12/1371362612.db2.gz OIFPGBCTBCWIIW-SFHVURJKSA-N 2 1 329.488 3.136 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+](CCc3ccc(Br)cc3)C[C@@H]2C1 ZINC001207385415 1371380458 /nfs/dbraw/zinc/38/04/58/1371380458.db2.gz XYUFDORBYXBOEB-IYBDPMFKSA-N 2 1 337.305 3.265 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@@H+](CCc3ccc(Br)cc3)C[C@@H]2C1 ZINC001207385415 1371380460 /nfs/dbraw/zinc/38/04/60/1371380460.db2.gz XYUFDORBYXBOEB-IYBDPMFKSA-N 2 1 337.305 3.265 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@H+](CCc3ccc(Br)cc3)C[C@@H]2C1 ZINC001207385415 1371380463 /nfs/dbraw/zinc/38/04/63/1371380463.db2.gz XYUFDORBYXBOEB-IYBDPMFKSA-N 2 1 337.305 3.265 20 0 EGADMP C[NH+]1CCC(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001207399202 1371384349 /nfs/dbraw/zinc/38/43/49/1371384349.db2.gz HTOKQAUWPFQMLJ-KURKYZTESA-N 2 1 336.520 3.303 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001207396524 1371384556 /nfs/dbraw/zinc/38/45/56/1371384556.db2.gz KIUVHTRHKGUCJV-NHCUHLMSSA-N 2 1 328.500 3.367 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001207402729 1371386222 /nfs/dbraw/zinc/38/62/22/1371386222.db2.gz MNAZSPHBWMRVFP-YADHBBJMSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001207402729 1371386225 /nfs/dbraw/zinc/38/62/25/1371386225.db2.gz MNAZSPHBWMRVFP-YADHBBJMSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001207402729 1371386228 /nfs/dbraw/zinc/38/62/28/1371386228.db2.gz MNAZSPHBWMRVFP-YADHBBJMSA-N 3 1 341.543 3.172 20 0 EGADMP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)[N@H+]1CCCC[C@H]1C ZINC001119697889 1371389709 /nfs/dbraw/zinc/38/97/09/1371389709.db2.gz CQEUCEJWQSVVMV-SJORKVTESA-N 2 1 347.503 3.258 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCF)CCCCC1 ZINC001119989135 1371443858 /nfs/dbraw/zinc/44/38/58/1371443858.db2.gz HJMSJOYRLIDGAL-KRWDZBQOSA-N 2 1 341.515 3.019 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCCCC1 ZINC001120208005 1371505436 /nfs/dbraw/zinc/50/54/36/1371505436.db2.gz QGSKATOMYJCCAV-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001207799754 1371507725 /nfs/dbraw/zinc/50/77/25/1371507725.db2.gz IWSJRCYXIPWWOJ-QSMUSEHHSA-N 2 1 349.563 3.290 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001207799754 1371507729 /nfs/dbraw/zinc/50/77/29/1371507729.db2.gz IWSJRCYXIPWWOJ-QSMUSEHHSA-N 2 1 349.563 3.290 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001207799754 1371507732 /nfs/dbraw/zinc/50/77/32/1371507732.db2.gz IWSJRCYXIPWWOJ-QSMUSEHHSA-N 2 1 349.563 3.290 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001207799751 1371507961 /nfs/dbraw/zinc/50/79/61/1371507961.db2.gz IWSJRCYXIPWWOJ-ODWICZQRSA-N 2 1 349.563 3.290 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001207799751 1371507966 /nfs/dbraw/zinc/50/79/66/1371507966.db2.gz IWSJRCYXIPWWOJ-ODWICZQRSA-N 2 1 349.563 3.290 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001207799751 1371507968 /nfs/dbraw/zinc/50/79/68/1371507968.db2.gz IWSJRCYXIPWWOJ-ODWICZQRSA-N 2 1 349.563 3.290 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H]4CCCCO4)CC[C@H]3C2)cc1 ZINC001207963319 1371552695 /nfs/dbraw/zinc/55/26/95/1371552695.db2.gz FVCLGXMKDAOHPN-PWRODBHTSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCCO4)CC[C@H]3C2)cc1 ZINC001207963319 1371552699 /nfs/dbraw/zinc/55/26/99/1371552699.db2.gz FVCLGXMKDAOHPN-PWRODBHTSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCCO4)CC[C@H]3C2)cc1 ZINC001207963319 1371552701 /nfs/dbraw/zinc/55/27/01/1371552701.db2.gz FVCLGXMKDAOHPN-PWRODBHTSA-N 2 1 328.500 3.400 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001120414100 1371565416 /nfs/dbraw/zinc/56/54/16/1371565416.db2.gz SGZAQTBHCZZNFY-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439748 1371577001 /nfs/dbraw/zinc/57/70/01/1371577001.db2.gz IQVWVOFSERZNMI-WWTANLFGSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120468711 1371586951 /nfs/dbraw/zinc/58/69/51/1371586951.db2.gz FYRPBKVLZBNYMQ-KJYWSYJISA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120468711 1371586954 /nfs/dbraw/zinc/58/69/54/1371586954.db2.gz FYRPBKVLZBNYMQ-KJYWSYJISA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120468718 1371587314 /nfs/dbraw/zinc/58/73/14/1371587314.db2.gz FYRPBKVLZBNYMQ-SLVIYJBESA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120468718 1371587317 /nfs/dbraw/zinc/58/73/17/1371587317.db2.gz FYRPBKVLZBNYMQ-SLVIYJBESA-N 2 1 349.563 3.386 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@H]([NH2+]CCCC(C)C)C1 ZINC001208074143 1371588428 /nfs/dbraw/zinc/58/84/28/1371588428.db2.gz SQWPAZLUUPLZNJ-ROUUACIJSA-N 2 1 348.535 3.413 20 0 EGADMP CC1(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC001208078505 1371589573 /nfs/dbraw/zinc/58/95/73/1371589573.db2.gz NTMPDKZMRBRQLB-VQTJNVASSA-N 2 1 328.500 3.257 20 0 EGADMP CC1(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC001208078505 1371589575 /nfs/dbraw/zinc/58/95/75/1371589575.db2.gz NTMPDKZMRBRQLB-VQTJNVASSA-N 2 1 328.500 3.257 20 0 EGADMP C[NH+](C)CC1(CN2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)CCCC1 ZINC001208185934 1371626993 /nfs/dbraw/zinc/62/69/93/1371626993.db2.gz LHBOJIMYAZIHPB-PMACEKPBSA-N 2 1 327.516 3.067 20 0 EGADMP CC(C)OCC[NH+](CCOC(C)C)CC1(C[NH+](C)C)CCCC1 ZINC001208193096 1371632821 /nfs/dbraw/zinc/63/28/21/1371632821.db2.gz ZVNLSHZJZNRQKG-UHFFFAOYSA-N 2 1 328.541 3.260 20 0 EGADMP CC[NH+](CC)C1CC[NH+](C[C@@H](C)Cc2ccc3c(c2)OCO3)CC1 ZINC001208222937 1371661435 /nfs/dbraw/zinc/66/14/35/1371661435.db2.gz VUDOAIGYWDEONG-INIZCTEOSA-N 2 1 332.488 3.400 20 0 EGADMP c1ccc(C2(C[NH+]3CC4(C3)CC[N@@H+](CC3CC3)C4)CCOCC2)cc1 ZINC001208224443 1371662498 /nfs/dbraw/zinc/66/24/98/1371662498.db2.gz YQOCZJLCQKSCRW-UHFFFAOYSA-N 2 1 340.511 3.153 20 0 EGADMP c1ccc(C2(C[NH+]3CC4(C3)CC[N@H+](CC3CC3)C4)CCOCC2)cc1 ZINC001208224443 1371662503 /nfs/dbraw/zinc/66/25/03/1371662503.db2.gz YQOCZJLCQKSCRW-UHFFFAOYSA-N 2 1 340.511 3.153 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208330624 1371719181 /nfs/dbraw/zinc/71/91/81/1371719181.db2.gz AUDKSNCLOZHWJK-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331877 1371721192 /nfs/dbraw/zinc/72/11/92/1371721192.db2.gz XUOGBEBGNGIURI-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208335619 1371722919 /nfs/dbraw/zinc/72/29/19/1371722919.db2.gz WSENQUVJRUIPPZ-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C(C)(C)[N@H+](C)CC)C2)cc1 ZINC001208447126 1371769838 /nfs/dbraw/zinc/76/98/38/1371769838.db2.gz ILRFUDFOBHIXTB-LJQANCHMSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001208453352 1371771928 /nfs/dbraw/zinc/77/19/28/1371771928.db2.gz FJXLTAAKAUBLTE-XWGMLZDCSA-N 2 1 343.515 3.011 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001208453852 1371772602 /nfs/dbraw/zinc/77/26/02/1371772602.db2.gz PUVNIZQIZHOMPE-ABHNRTSZSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001208460197 1371775632 /nfs/dbraw/zinc/77/56/32/1371775632.db2.gz PSWRRYBHGRKOAT-KRWDZBQOSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CC)[C@H]1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208592361 1371831616 /nfs/dbraw/zinc/83/16/16/1371831616.db2.gz TWWBQQZBXRYNIN-RTWAWAEBSA-N 2 1 329.532 3.457 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H]3O[C@@H](COCC(C)C)CC[C@H]32)CC1 ZINC001208599170 1371834528 /nfs/dbraw/zinc/83/45/28/1371834528.db2.gz IBOJHNNEXVFFGH-VAMGGRTRSA-N 2 1 338.536 3.013 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001208599830 1371835764 /nfs/dbraw/zinc/83/57/64/1371835764.db2.gz CMJJRLJTKHATIA-QFIPXVFZSA-N 2 1 341.543 3.459 20 0 EGADMP CC[NH+]1CCC(CN2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001208599830 1371835769 /nfs/dbraw/zinc/83/57/69/1371835769.db2.gz CMJJRLJTKHATIA-QFIPXVFZSA-N 2 1 341.543 3.459 20 0 EGADMP CC[NH+]1CCC(CN2CC[C@@]3(CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001208599830 1371835774 /nfs/dbraw/zinc/83/57/74/1371835774.db2.gz CMJJRLJTKHATIA-QFIPXVFZSA-N 2 1 341.543 3.459 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001208602503 1371836468 /nfs/dbraw/zinc/83/64/68/1371836468.db2.gz GCSPLMNEBFVLKC-UHFFFAOYSA-N 3 1 347.522 3.454 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001208602503 1371836472 /nfs/dbraw/zinc/83/64/72/1371836472.db2.gz GCSPLMNEBFVLKC-UHFFFAOYSA-N 3 1 347.522 3.454 20 0 EGADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001208618794 1371844573 /nfs/dbraw/zinc/84/45/73/1371844573.db2.gz RUYFYVZNXNWPCW-LPHOPBHVSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001208618794 1371844581 /nfs/dbraw/zinc/84/45/81/1371844581.db2.gz RUYFYVZNXNWPCW-LPHOPBHVSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001208618794 1371844585 /nfs/dbraw/zinc/84/45/85/1371844585.db2.gz RUYFYVZNXNWPCW-LPHOPBHVSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001208618794 1371844589 /nfs/dbraw/zinc/84/45/89/1371844589.db2.gz RUYFYVZNXNWPCW-LPHOPBHVSA-N 2 1 339.524 3.050 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC001121117101 1371857019 /nfs/dbraw/zinc/85/70/19/1371857019.db2.gz DVNNXDIQODWYDE-SGPNKGFISA-N 2 1 347.547 3.068 20 0 EGADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](CCC4CC4)CC3)C2)cc1 ZINC001208682459 1371859394 /nfs/dbraw/zinc/85/93/94/1371859394.db2.gz LNANYLZXGMJXFY-UHFFFAOYSA-N 2 1 328.500 3.462 20 0 EGADMP COC(=O)[C@H](C)C[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001208722863 1371874269 /nfs/dbraw/zinc/87/42/69/1371874269.db2.gz KVBQFORVXSTZHA-CQSZACIVSA-N 2 1 338.879 3.045 20 0 EGADMP COC(=O)[C@H](C)C[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001208722863 1371874273 /nfs/dbraw/zinc/87/42/73/1371874273.db2.gz KVBQFORVXSTZHA-CQSZACIVSA-N 2 1 338.879 3.045 20 0 EGADMP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001121194212 1371885254 /nfs/dbraw/zinc/88/52/54/1371885254.db2.gz OSIACALRUQZOQH-YDXWLCMNSA-N 2 1 347.547 3.234 20 0 EGADMP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001121289583 1371922997 /nfs/dbraw/zinc/92/29/97/1371922997.db2.gz YQBPKQJIBKWWOA-JGQKGBITSA-N 2 1 347.547 3.066 20 0 EGADMP CCOC(=O)c1ccc(CCC[NH+]2CCC([N@H+](C)C3CC3)CC2)cc1 ZINC001208867928 1371925293 /nfs/dbraw/zinc/92/52/93/1371925293.db2.gz UUTFKWPMLUMFDY-UHFFFAOYSA-N 2 1 344.499 3.355 20 0 EGADMP CCOC(=O)c1ccc(CCC[NH+]2CCC([N@@H+](C)C3CC3)CC2)cc1 ZINC001208867928 1371925294 /nfs/dbraw/zinc/92/52/94/1371925294.db2.gz UUTFKWPMLUMFDY-UHFFFAOYSA-N 2 1 344.499 3.355 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CC[C@H]4CCCO[C@@H]4C3)C2)cc1 ZINC001208934392 1371952328 /nfs/dbraw/zinc/95/23/28/1371952328.db2.gz GYWZGWJPPDXAPX-NJDAHSKKSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CC[C@H]4CCCO[C@@H]4C3)C2)cc1 ZINC001208934392 1371952337 /nfs/dbraw/zinc/95/23/37/1371952337.db2.gz GYWZGWJPPDXAPX-NJDAHSKKSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CC[C@H]4CCCO[C@@H]4C3)C2)cc1 ZINC001208934392 1371952341 /nfs/dbraw/zinc/95/23/41/1371952341.db2.gz GYWZGWJPPDXAPX-NJDAHSKKSA-N 2 1 328.500 3.400 20 0 EGADMP CC[NH+]1CCC(N(C)C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208937081 1371954607 /nfs/dbraw/zinc/95/46/07/1371954607.db2.gz RABPATGYDILWNF-HXUWFJFHSA-N 2 1 329.532 3.315 20 0 EGADMP CC[N@H+](CCn1cccn1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208939149 1371955042 /nfs/dbraw/zinc/95/50/42/1371955042.db2.gz GRYLWFRDTKGMRQ-HXUWFJFHSA-N 2 1 326.488 3.117 20 0 EGADMP CC[N@@H+](CCn1cccn1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208939149 1371955045 /nfs/dbraw/zinc/95/50/45/1371955045.db2.gz GRYLWFRDTKGMRQ-HXUWFJFHSA-N 2 1 326.488 3.117 20 0 EGADMP CC[NH+](CCn1cccn1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208939149 1371955048 /nfs/dbraw/zinc/95/50/48/1371955048.db2.gz GRYLWFRDTKGMRQ-HXUWFJFHSA-N 2 1 326.488 3.117 20 0 EGADMP CC[NH+](CCn1cccn1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208939149 1371955050 /nfs/dbraw/zinc/95/50/50/1371955050.db2.gz GRYLWFRDTKGMRQ-HXUWFJFHSA-N 2 1 326.488 3.117 20 0 EGADMP COC(=O)CC[C@H]1CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208940693 1371956218 /nfs/dbraw/zinc/95/62/18/1371956218.db2.gz VMTJFFXVTZABOW-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)CC[C@H]1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940693 1371956223 /nfs/dbraw/zinc/95/62/23/1371956223.db2.gz VMTJFFXVTZABOW-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)CC[C@H]1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940693 1371956226 /nfs/dbraw/zinc/95/62/26/1371956226.db2.gz VMTJFFXVTZABOW-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP CC(C)(C)OC(=O)[C@H]1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208947388 1371959028 /nfs/dbraw/zinc/95/90/28/1371959028.db2.gz BHSDDEZUVXHMTM-OALUTQOASA-N 2 1 344.499 3.172 20 0 EGADMP CC(C)(C)OC(=O)[C@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947388 1371959031 /nfs/dbraw/zinc/95/90/31/1371959031.db2.gz BHSDDEZUVXHMTM-OALUTQOASA-N 2 1 344.499 3.172 20 0 EGADMP CC(C)(C)OC(=O)[C@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947388 1371959033 /nfs/dbraw/zinc/95/90/33/1371959033.db2.gz BHSDDEZUVXHMTM-OALUTQOASA-N 2 1 344.499 3.172 20 0 EGADMP COCOCCC[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001209030721 1371979193 /nfs/dbraw/zinc/97/91/93/1371979193.db2.gz BBCYOTABLBLTFC-UHFFFAOYSA-N 2 1 346.515 3.375 20 0 EGADMP C(C[NH+]1CCCC1)[C@H]1CCCC[N@H+]1CC1CCC2(CC1)OCCO2 ZINC001209103555 1371998711 /nfs/dbraw/zinc/99/87/11/1371998711.db2.gz YVABFZTZGHYHDY-LJQANCHMSA-N 2 1 336.520 3.260 20 0 EGADMP COCCCC[NH+]1CCC2(CC[N@@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001209216123 1372040639 /nfs/dbraw/zinc/04/06/39/1372040639.db2.gz HRVBEUAKLJBZKC-UHFFFAOYSA-N 2 1 346.515 3.410 20 0 EGADMP C[NH+]1CCC(CN2CC[NH+](CCCCCc3ccccc3)CC2)CC1 ZINC001209235340 1372046358 /nfs/dbraw/zinc/04/63/58/1372046358.db2.gz OJGZOLRQRWOWNH-UHFFFAOYSA-N 2 1 343.559 3.359 20 0 EGADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CCCC2OCCO2)C3)cc1 ZINC001209308381 1372064640 /nfs/dbraw/zinc/06/46/40/1372064640.db2.gz AQISSRGFWXRFBH-OAQYLSRUSA-N 2 1 344.499 3.128 20 0 EGADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CCCC2OCCO2)C3)cc1 ZINC001209308381 1372064644 /nfs/dbraw/zinc/06/46/44/1372064644.db2.gz AQISSRGFWXRFBH-OAQYLSRUSA-N 2 1 344.499 3.128 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CCCC2OCCO2)C3)cc1 ZINC001209308381 1372064649 /nfs/dbraw/zinc/06/46/49/1372064649.db2.gz AQISSRGFWXRFBH-OAQYLSRUSA-N 2 1 344.499 3.128 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001121767567 1372074495 /nfs/dbraw/zinc/07/44/95/1372074495.db2.gz HLCDSLCSSQUEIW-ZCBKYUGRSA-N 2 1 347.547 3.234 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001121773356 1372077420 /nfs/dbraw/zinc/07/74/20/1372077420.db2.gz PYONBLQULTWVPI-ZUNIIPQUSA-N 2 1 349.563 3.027 20 0 EGADMP CC[N@@H+](C)C1CC[NH+](CCCCCNC(=O)OC(C)(C)C)CC1 ZINC001209375453 1372081668 /nfs/dbraw/zinc/08/16/68/1372081668.db2.gz JUQFMILAWYOTER-UHFFFAOYSA-N 2 1 327.513 3.098 20 0 EGADMP CC(C)C[NH2+]C1CC2(CC(NC(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001121866846 1372107826 /nfs/dbraw/zinc/10/78/26/1372107826.db2.gz HQOMZQLRHUVWBO-UHFFFAOYSA-N 2 1 346.519 3.070 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C)C(C)C ZINC001209584975 1372143801 /nfs/dbraw/zinc/14/38/01/1372143801.db2.gz FMDRLUCLEFBLFO-KZNAEPCWSA-N 2 1 339.568 3.226 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001121991608 1372148003 /nfs/dbraw/zinc/14/80/03/1372148003.db2.gz VHYGVTDEARDQIJ-NVXWUHKLSA-N 2 1 340.471 3.381 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NC1CC2(C1)CC([NH2+]C(C)C)C2)c1ccccc1 ZINC001122056780 1372164539 /nfs/dbraw/zinc/16/45/39/1372164539.db2.gz RMEKAZKAWGGEKZ-MBEFBZSESA-N 2 1 343.515 3.105 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CCC1=CCCCC1)C2 ZINC001122248468 1372211437 /nfs/dbraw/zinc/21/14/37/1372211437.db2.gz IAJDNKSUWSYESE-UHFFFAOYSA-N 2 1 347.547 3.234 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001209892452 1372225215 /nfs/dbraw/zinc/22/52/15/1372225215.db2.gz STGNGTUHGBSNDC-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001209972033 1372244325 /nfs/dbraw/zinc/24/43/25/1372244325.db2.gz GSAKAKZHAYMAJW-VQIMIIECSA-N 2 1 340.471 3.113 20 0 EGADMP c1nc2n(c1C[N@@H+](Cc1ccccc1)C1CCCCC1)CC[NH2+]CC2 ZINC001210580789 1372384288 /nfs/dbraw/zinc/38/42/88/1372384288.db2.gz MALPUOIGMQNPFK-UHFFFAOYSA-N 2 1 338.499 3.364 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC=C(C)C)C1 ZINC001210586531 1372385026 /nfs/dbraw/zinc/38/50/26/1372385026.db2.gz XVYBFZNFNZMTKH-RTBURBONSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCC(C)C)C1)c1ccccc1 ZINC001210643873 1372399049 /nfs/dbraw/zinc/39/90/49/1372399049.db2.gz LYRYVUCTGXVSOJ-VQTJNVASSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001210782339 1372426199 /nfs/dbraw/zinc/42/61/99/1372426199.db2.gz LRLKPQPGVHYTED-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001210796747 1372427800 /nfs/dbraw/zinc/42/78/00/1372427800.db2.gz JIPVYKPSGJHUEB-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001210796396 1372427972 /nfs/dbraw/zinc/42/79/72/1372427972.db2.gz FTQJYZXRRLFUSV-IAGOWNOFSA-N 2 1 349.494 3.199 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1)c1ccccc1 ZINC001211269977 1372517351 /nfs/dbraw/zinc/51/73/51/1372517351.db2.gz WPLWERFEHCAXQC-OALUTQOASA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211309366 1372526284 /nfs/dbraw/zinc/52/62/84/1372526284.db2.gz BICRWMOEAWAILI-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211350741 1372538447 /nfs/dbraw/zinc/53/84/47/1372538447.db2.gz WKELWXLPRDFWIS-UYAOXDASSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cccc3cccnc32)no1 ZINC001212145553 1372663623 /nfs/dbraw/zinc/66/36/23/1372663623.db2.gz WQWASJHGSMPVOG-INIZCTEOSA-N 2 1 339.443 3.453 20 0 EGADMP Cc1c(F)ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1F ZINC001212144703 1372663952 /nfs/dbraw/zinc/66/39/52/1372663952.db2.gz AYRNOAGLMCKMDJ-AWEZNQCLSA-N 2 1 338.402 3.491 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cccc3c2CCC3=O)no1 ZINC001212145582 1372664067 /nfs/dbraw/zinc/66/40/67/1372664067.db2.gz XQAIBVPUQNLCMR-INIZCTEOSA-N 2 1 342.443 3.034 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(CC[NH+](C)C2CC2)c1 ZINC001127538214 1373137160 /nfs/dbraw/zinc/13/71/60/1373137160.db2.gz DQHFOGBMVRTCPD-LJQANCHMSA-N 2 1 329.488 3.135 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC001127538214 1373137164 /nfs/dbraw/zinc/13/71/64/1373137164.db2.gz DQHFOGBMVRTCPD-LJQANCHMSA-N 2 1 329.488 3.135 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC001127538214 1373137167 /nfs/dbraw/zinc/13/71/67/1373137167.db2.gz DQHFOGBMVRTCPD-LJQANCHMSA-N 2 1 329.488 3.135 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001215019861 1373157662 /nfs/dbraw/zinc/15/76/62/1373157662.db2.gz HMHWQMAUEIDAFP-SJLPKXTDSA-N 2 1 335.536 3.042 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001127675986 1373157875 /nfs/dbraw/zinc/15/78/75/1373157875.db2.gz XOZDGXVYZWSUDR-QGZVFWFLSA-N 2 1 348.535 3.463 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001127680715 1373159148 /nfs/dbraw/zinc/15/91/48/1373159148.db2.gz ZJDMBCDFUZCJRS-LSDHHAIUSA-N 2 1 346.450 3.003 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001128779732 1373310520 /nfs/dbraw/zinc/31/05/20/1373310520.db2.gz XAJSIDWKNGBREM-PXNSSMCTSA-N 2 1 345.531 3.451 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1[NH2+]CCC(C)(C)C ZINC001216850260 1373350841 /nfs/dbraw/zinc/35/08/41/1373350841.db2.gz HDAWDEBWRSHELI-QRQLOZEOSA-N 2 1 345.531 3.162 20 0 EGADMP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216850281 1373351180 /nfs/dbraw/zinc/35/11/80/1373351180.db2.gz HUYMHCOUOOAUCA-RLLQIKCJSA-N 2 1 345.531 3.306 20 0 EGADMP [NH3+][C@H](CC1CC[NH2+]CC1)c1nnc([C@@H]2C[C@H]2c2ccc(Cl)cc2)o1 ZINC001217724553 1373495364 /nfs/dbraw/zinc/49/53/64/1373495364.db2.gz LNUHJGAGYVRBGX-ARFHVFGLSA-N 2 1 346.862 3.384 20 0 EGADMP Cc1ccc([C@@H]2C[C@H]2c2nnc([C@@H]([NH3+])CC3CC[NH2+]CC3)o2)cc1 ZINC001217723545 1373495794 /nfs/dbraw/zinc/49/57/94/1373495794.db2.gz CJANWLOANOTPHG-BBWFWOEESA-N 2 1 326.444 3.039 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nnc(Cc2ccccc2Cl)o1 ZINC001217752664 1373498467 /nfs/dbraw/zinc/49/84/67/1373498467.db2.gz WVJQLIHYTJMDDV-HNNXBMFYSA-N 2 1 336.867 3.482 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@@](C)(CO[C@H]2CCCC[NH2+]C2)O1 ZINC001217773183 1373499587 /nfs/dbraw/zinc/49/95/87/1373499587.db2.gz NNIFOYHNWLUICZ-FPOVZHCZSA-N 2 1 346.515 3.215 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3OCC[C@H]2CC[NH2+]C2)cc1 ZINC001217809346 1373503196 /nfs/dbraw/zinc/50/31/96/1373503196.db2.gz RXZYTXKMTOHDME-OKCRPCIYSA-N 2 1 328.500 3.303 20 0 EGADMP c1ccc(C[N@@H+]2CCc3ccc(O[C@@H]4CCC[NH2+]CC4)nc3C2)cc1 ZINC001217994823 1373529428 /nfs/dbraw/zinc/52/94/28/1373529428.db2.gz BNFSCNGRWQLNKT-LJQANCHMSA-N 2 1 337.467 3.161 20 0 EGADMP c1ccc(C[N@H+]2CCc3ccc(O[C@@H]4CCC[NH2+]CC4)nc3C2)cc1 ZINC001217994823 1373529433 /nfs/dbraw/zinc/52/94/33/1373529433.db2.gz BNFSCNGRWQLNKT-LJQANCHMSA-N 2 1 337.467 3.161 20 0 EGADMP CC[C@]1(c2cccc(O[C@@H]3C[C@H]4C[NH2+]C[C@H]43)c2)CCCC[N@@H+](C)C1 ZINC001218331023 1373598359 /nfs/dbraw/zinc/59/83/59/1373598359.db2.gz PIQXGRBFPITBFM-ZXNZYJFHSA-N 2 1 328.500 3.437 20 0 EGADMP C[C@H]1[NH2+]C[C@H]1Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@H+](C)CC3 ZINC001218385361 1373604300 /nfs/dbraw/zinc/60/43/00/1373604300.db2.gz HJNHOHDYIMWNOY-NQKWYQNWSA-N 2 1 326.484 3.114 20 0 EGADMP Cc1ccc(N2CCC(Oc3ccc4c(c3C)CC[NH2+]C4)CC2)[nH+]c1 ZINC001218390499 1373605121 /nfs/dbraw/zinc/60/51/21/1373605121.db2.gz KQSABYYECOAPKU-UHFFFAOYSA-N 2 1 337.467 3.392 20 0 EGADMP C[C@@H]1CC[C@H](Oc2ccc(Br)c(C[NH+](C)C)c2)C[NH2+]1 ZINC001218401355 1373608349 /nfs/dbraw/zinc/60/83/49/1373608349.db2.gz GUWRRGYBUHESNI-RISCZKNCSA-N 2 1 327.266 3.030 20 0 EGADMP Clc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc3c(n2)CC[NH2+]C3)C1 ZINC001218410588 1373609733 /nfs/dbraw/zinc/60/97/33/1373609733.db2.gz FWYCAUIUGIUYSS-MRXNPFEDSA-N 2 1 343.858 3.034 20 0 EGADMP C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc2c(c1)C(C)(C)C[NH2+]CC2 ZINC001218458007 1373617608 /nfs/dbraw/zinc/61/76/08/1373617608.db2.gz BTYJMEOEHKOBLO-XEMDLRDOSA-N 2 1 328.500 3.219 20 0 EGADMP O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)[C@@]12CC[C@H]1C[NH2+]C2 ZINC001218848617 1373660472 /nfs/dbraw/zinc/66/04/72/1373660472.db2.gz PAPRPZAETWJBGZ-SIKLNZKXSA-N 2 1 347.462 3.141 20 0 EGADMP O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)[C@@]12CC[C@H]1C[NH2+]C2 ZINC001218848617 1373660475 /nfs/dbraw/zinc/66/04/75/1373660475.db2.gz PAPRPZAETWJBGZ-SIKLNZKXSA-N 2 1 347.462 3.141 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001221664330 1373787674 /nfs/dbraw/zinc/78/76/74/1373787674.db2.gz PNKONXBTQGRRKS-VAMGGRTRSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001221664330 1373787678 /nfs/dbraw/zinc/78/76/78/1373787678.db2.gz PNKONXBTQGRRKS-VAMGGRTRSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001221664330 1373787684 /nfs/dbraw/zinc/78/76/84/1373787684.db2.gz PNKONXBTQGRRKS-VAMGGRTRSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@@H+](CCCC3CCCC3)C[C@H]21 ZINC001221962848 1373808989 /nfs/dbraw/zinc/80/89/89/1373808989.db2.gz ZZVSUAVJRIJTGK-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP Nc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222272278 1373822846 /nfs/dbraw/zinc/82/28/46/1373822846.db2.gz PSYYLGUGLZFARR-MRXNPFEDSA-N 2 1 343.393 3.133 20 0 EGADMP Nc1ccc(OC(F)(F)F)cc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222272278 1373822853 /nfs/dbraw/zinc/82/28/53/1373822853.db2.gz PSYYLGUGLZFARR-MRXNPFEDSA-N 2 1 343.393 3.133 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC001131822905 1373823583 /nfs/dbraw/zinc/82/35/83/1373823583.db2.gz XNGKLYVYRAIIRJ-SFHVURJKSA-N 2 1 345.531 3.416 20 0 EGADMP CCCCCOc1ccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)cc1 ZINC001222401562 1373838993 /nfs/dbraw/zinc/83/89/93/1373838993.db2.gz WNPZFKNXAIFUFF-UHFFFAOYSA-N 2 1 346.515 3.458 20 0 EGADMP CCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001223594497 1375040163 /nfs/dbraw/zinc/04/01/63/1375040163.db2.gz MSCVYYJPRNBURE-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001223594497 1375040167 /nfs/dbraw/zinc/04/01/67/1375040167.db2.gz MSCVYYJPRNBURE-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)=CC[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001224745576 1375073440 /nfs/dbraw/zinc/07/34/40/1375073440.db2.gz CAGHADVQTIQTKS-UHFFFAOYSA-N 2 1 346.519 3.191 20 0 EGADMP CC(C)CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001224796186 1375077500 /nfs/dbraw/zinc/07/75/00/1375077500.db2.gz NKTDSCYEODAOIR-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCc2ncc[nH]2)C[N@H+]1CCC1=CCCCC1 ZINC001132024889 1375104000 /nfs/dbraw/zinc/10/40/00/1375104000.db2.gz JPAFASGLPWKJRK-FUHWJXTLSA-N 2 1 344.503 3.202 20 0 EGADMP CCC(CC)C[NH+]1CCC(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001225542315 1375122426 /nfs/dbraw/zinc/12/24/26/1375122426.db2.gz KHRXAOKDFUFZEA-CALCHBBNSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCC1CCCCC1 ZINC001132105201 1375149717 /nfs/dbraw/zinc/14/97/17/1375149717.db2.gz CLLNQTIJBLRRKQ-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CC1CC2(CCC2)C1 ZINC001132105764 1375150871 /nfs/dbraw/zinc/15/08/71/1375150871.db2.gz MMFBQKVCSHOIPL-FUHWJXTLSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CC1CC2(CCC2)C1 ZINC001132105764 1375150872 /nfs/dbraw/zinc/15/08/72/1375150872.db2.gz MMFBQKVCSHOIPL-FUHWJXTLSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CC1CC2(CCC2)C1 ZINC001132105764 1375150875 /nfs/dbraw/zinc/15/08/75/1375150875.db2.gz MMFBQKVCSHOIPL-FUHWJXTLSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCC1=CCCCC1 ZINC001132106453 1375151116 /nfs/dbraw/zinc/15/11/16/1375151116.db2.gz UOQYTPYXMOOLQW-MJGOQNOKSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCC1=CCCCC1 ZINC001132106453 1375151118 /nfs/dbraw/zinc/15/11/18/1375151118.db2.gz UOQYTPYXMOOLQW-MJGOQNOKSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCC1=CCCCC1 ZINC001132106453 1375151119 /nfs/dbraw/zinc/15/11/19/1375151119.db2.gz UOQYTPYXMOOLQW-MJGOQNOKSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)C[N@H+]1CCCCCF ZINC001132132428 1375162709 /nfs/dbraw/zinc/16/27/09/1375162709.db2.gz QVEKBSQGOHQYOU-GOEBONIOSA-N 2 1 346.450 3.285 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132152969 1375172446 /nfs/dbraw/zinc/17/24/46/1375172446.db2.gz LSIQLIGIKMPCSJ-IAGOWNOFSA-N 2 1 325.541 3.266 20 0 EGADMP CCCCCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132152969 1375172449 /nfs/dbraw/zinc/17/24/49/1375172449.db2.gz LSIQLIGIKMPCSJ-IAGOWNOFSA-N 2 1 325.541 3.266 20 0 EGADMP CCCCCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132152969 1375172452 /nfs/dbraw/zinc/17/24/52/1375172452.db2.gz LSIQLIGIKMPCSJ-IAGOWNOFSA-N 2 1 325.541 3.266 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132152696 1375172752 /nfs/dbraw/zinc/17/27/52/1375172752.db2.gz HUFWLTOMZMQDCU-FWGLOVMOSA-N 2 1 337.552 3.432 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132152696 1375172756 /nfs/dbraw/zinc/17/27/56/1375172756.db2.gz HUFWLTOMZMQDCU-FWGLOVMOSA-N 2 1 337.552 3.432 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132152696 1375172759 /nfs/dbraw/zinc/17/27/59/1375172759.db2.gz HUFWLTOMZMQDCU-FWGLOVMOSA-N 2 1 337.552 3.432 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132152699 1375173585 /nfs/dbraw/zinc/17/35/85/1375173585.db2.gz HUFWLTOMZMQDCU-WFJXPABVSA-N 2 1 337.552 3.432 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132152699 1375173589 /nfs/dbraw/zinc/17/35/89/1375173589.db2.gz HUFWLTOMZMQDCU-WFJXPABVSA-N 2 1 337.552 3.432 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132152699 1375173593 /nfs/dbraw/zinc/17/35/93/1375173593.db2.gz HUFWLTOMZMQDCU-WFJXPABVSA-N 2 1 337.552 3.432 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@H+]1CCCCCF ZINC001132173072 1375187891 /nfs/dbraw/zinc/18/78/91/1375187891.db2.gz HADOQNXYROONCF-DOTOQJQBSA-N 2 1 346.450 3.057 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@H+]1CC1CCC1 ZINC001132207203 1375209458 /nfs/dbraw/zinc/20/94/58/1375209458.db2.gz RAMRGCAIFRCTJG-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[NH+]1CC1CCC1 ZINC001132207203 1375209463 /nfs/dbraw/zinc/20/94/63/1375209463.db2.gz RAMRGCAIFRCTJG-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[NH+]1CC1CCC1 ZINC001132207203 1375209467 /nfs/dbraw/zinc/20/94/67/1375209467.db2.gz RAMRGCAIFRCTJG-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@H+]1CC1CCCC1 ZINC001132211293 1375211342 /nfs/dbraw/zinc/21/13/42/1375211342.db2.gz NYCFJARMSKLZTN-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@H+]1CCC1CC1 ZINC001132212136 1375212138 /nfs/dbraw/zinc/21/21/38/1375212138.db2.gz UEWKIVHWRCRQAT-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132265215 1375254868 /nfs/dbraw/zinc/25/48/68/1375254868.db2.gz JQCHMUXUMYVEAM-MZIIKBMYSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001132388494 1375346023 /nfs/dbraw/zinc/34/60/23/1375346023.db2.gz MZZQLNRMGXYWSS-CWHLKURSSA-N 2 1 349.563 3.432 20 0 EGADMP CCc1ccc(C[NH+]2C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]2C)cc1 ZINC001132409834 1375358007 /nfs/dbraw/zinc/35/80/07/1375358007.db2.gz FTBPCQNJYKFRKH-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[N@@H+]2C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]2C)cc1 ZINC001132409834 1375358010 /nfs/dbraw/zinc/35/80/10/1375358010.db2.gz FTBPCQNJYKFRKH-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[N@H+]2C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]2C)cc1 ZINC001132409834 1375358015 /nfs/dbraw/zinc/35/80/15/1375358015.db2.gz FTBPCQNJYKFRKH-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CC1=CCCCC1 ZINC001132436598 1375380872 /nfs/dbraw/zinc/38/08/72/1375380872.db2.gz MTGRGDODOYZRRB-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC001227166928 1375400993 /nfs/dbraw/zinc/40/09/93/1375400993.db2.gz WPGTZRVQNGISIV-GVDBMIGSSA-N 2 1 346.519 3.030 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CC1=CCCCC1 ZINC001132517408 1375435547 /nfs/dbraw/zinc/43/55/47/1375435547.db2.gz CATLTMLDJKBTAV-QUCCMNQESA-N 2 1 347.547 3.332 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CCCC1CCC1 ZINC001132518759 1375437643 /nfs/dbraw/zinc/43/76/43/1375437643.db2.gz NTMDIMLAZMCVLZ-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132542303 1375449562 /nfs/dbraw/zinc/44/95/62/1375449562.db2.gz OWEXBCORBDGMFC-AZUAARDMSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[N@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132542303 1375449564 /nfs/dbraw/zinc/44/95/64/1375449564.db2.gz OWEXBCORBDGMFC-AZUAARDMSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[NH+]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132542303 1375449567 /nfs/dbraw/zinc/44/95/67/1375449567.db2.gz OWEXBCORBDGMFC-AZUAARDMSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132542303 1375449571 /nfs/dbraw/zinc/44/95/71/1375449571.db2.gz OWEXBCORBDGMFC-AZUAARDMSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[N@H+]1CC1CCC1 ZINC001132549328 1375455243 /nfs/dbraw/zinc/45/52/43/1375455243.db2.gz QQFAFSKXAJYGDJ-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+]CCC2CCCCCC2)C1 ZINC001132738883 1375539033 /nfs/dbraw/zinc/53/90/33/1375539033.db2.gz KHJJTPOCBGHKSV-IBGZPJMESA-N 2 1 337.552 3.175 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001132979152 1375691992 /nfs/dbraw/zinc/69/19/92/1375691992.db2.gz ZOLKAQSHNSJFKU-WMZOPIPTSA-N 2 1 348.535 3.092 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001228931418 1375718797 /nfs/dbraw/zinc/71/87/97/1375718797.db2.gz BHEYKWNKZDWXMO-QRVBRYPASA-N 2 1 337.552 3.457 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001229126454 1375770238 /nfs/dbraw/zinc/77/02/38/1375770238.db2.gz JMPZSSHRBBNTTA-NYQZOWANSA-N 2 1 346.519 3.345 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC(C)C)C1 ZINC001133166403 1375819556 /nfs/dbraw/zinc/81/95/56/1375819556.db2.gz TZKFDCVKJYSSHK-IEBWSBKVSA-N 2 1 348.535 3.092 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cc1C ZINC001229524123 1375850649 /nfs/dbraw/zinc/85/06/49/1375850649.db2.gz OKHHSAWDUJBPHN-WOJBJXKFSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001230287181 1375985972 /nfs/dbraw/zinc/98/59/72/1375985972.db2.gz YQZRYGPYVPXTCM-AQNXPRMDSA-N 2 1 343.515 3.273 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC([C@H]2CCC[N@H+]2CCC(C)C)CC1 ZINC001230610663 1376100954 /nfs/dbraw/zinc/10/09/54/1376100954.db2.gz GFJCZAMQIDSQTF-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001230622664 1376105742 /nfs/dbraw/zinc/10/57/42/1376105742.db2.gz PPUOMAMYHHNHBN-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001133823582 1376219864 /nfs/dbraw/zinc/21/98/64/1376219864.db2.gz JUDHTYYUCXFNIK-AOCRQIFASA-N 2 1 337.552 3.029 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001133845807 1376228963 /nfs/dbraw/zinc/22/89/63/1376228963.db2.gz NOARCNPKKORAML-SJORKVTESA-N 2 1 345.531 3.093 20 0 EGADMP COc1cc(Cl)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(OC)c1 ZINC001231699571 1376302174 /nfs/dbraw/zinc/30/21/74/1376302174.db2.gz OZBUTLCEWGLGQA-UHFFFAOYSA-N 2 1 338.879 3.275 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015156 1376383642 /nfs/dbraw/zinc/38/36/42/1376383642.db2.gz BYBLQPQHMYASAH-ZFWWWQNUSA-N 2 1 344.459 3.441 20 0 EGADMP CCC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cc1 ZINC001232080810 1376397290 /nfs/dbraw/zinc/39/72/90/1376397290.db2.gz LEHWLTQLYATXAN-LJQANCHMSA-N 2 1 345.531 3.016 20 0 EGADMP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cc1 ZINC001232080810 1376397296 /nfs/dbraw/zinc/39/72/96/1376397296.db2.gz LEHWLTQLYATXAN-LJQANCHMSA-N 2 1 345.531 3.016 20 0 EGADMP c1c2ccncc2[nH]c1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001232094131 1376398404 /nfs/dbraw/zinc/39/84/04/1376398404.db2.gz JSTDZBUIZQGTOC-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)c1 ZINC001232143888 1376409133 /nfs/dbraw/zinc/40/91/33/1376409133.db2.gz DKPMITIBDSPLDN-MRXNPFEDSA-N 2 1 348.384 3.167 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCCC[C@](O)(C(F)(F)F)C2)c1 ZINC001232143888 1376409136 /nfs/dbraw/zinc/40/91/36/1376409136.db2.gz DKPMITIBDSPLDN-MRXNPFEDSA-N 2 1 348.384 3.167 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CC1CCCCCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612335 1376623895 /nfs/dbraw/zinc/62/38/95/1376623895.db2.gz LEIGEVOBXJMBMW-IAGOWNOFSA-N 2 1 337.552 3.314 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001327229388 1388454818 /nfs/dbraw/zinc/45/48/18/1388454818.db2.gz KKFBLGYZUVZEOW-SFHVURJKSA-N 2 1 343.515 3.156 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189109818 1388459888 /nfs/dbraw/zinc/45/98/88/1388459888.db2.gz FUMYKBFTGJEEKT-ITWXOWHISA-N 2 1 349.563 3.386 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189109832 1388460700 /nfs/dbraw/zinc/46/07/00/1388460700.db2.gz GCJLMMZUEDZKPH-IPMKNSEASA-N 2 1 337.552 3.220 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)ccc1-n1ccnc1 ZINC001234033289 1376757385 /nfs/dbraw/zinc/75/73/85/1376757385.db2.gz RFVRQUUZLVTOQU-INIZCTEOSA-N 2 1 339.361 3.450 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001234216369 1376787800 /nfs/dbraw/zinc/78/78/00/1376787800.db2.gz WMTHWBCSYAOCMB-YMHTTXFNSA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001234216369 1376787806 /nfs/dbraw/zinc/78/78/06/1376787806.db2.gz WMTHWBCSYAOCMB-YMHTTXFNSA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001234216369 1376787810 /nfs/dbraw/zinc/78/78/10/1376787810.db2.gz WMTHWBCSYAOCMB-YMHTTXFNSA-N 2 1 335.536 3.138 20 0 EGADMP COc1ccc2c(OC)ccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)c2c1 ZINC001235038114 1376837426 /nfs/dbraw/zinc/83/74/26/1376837426.db2.gz TTWOBCYJRHVJRH-FQEVSTJZSA-N 2 1 326.440 3.042 20 0 EGADMP Clc1sc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c2ccccc12 ZINC001235041685 1376839158 /nfs/dbraw/zinc/83/91/58/1376839158.db2.gz RPNQNMJEQDZETG-IUODEOHRSA-N 2 1 336.888 3.365 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135032925 1376858732 /nfs/dbraw/zinc/85/87/32/1376858732.db2.gz HXXATWLUGCVZDZ-CVEARBPZSA-N 2 1 346.519 3.035 20 0 EGADMP Cc1nccn1-c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427718 1376870711 /nfs/dbraw/zinc/87/07/11/1376870711.db2.gz MYUGPYYZFKSVKR-WOJBJXKFSA-N 2 1 338.499 3.392 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427718 1376870716 /nfs/dbraw/zinc/87/07/16/1376870716.db2.gz MYUGPYYZFKSVKR-WOJBJXKFSA-N 3 1 338.499 3.392 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427718 1376870729 /nfs/dbraw/zinc/87/07/29/1376870729.db2.gz MYUGPYYZFKSVKR-WOJBJXKFSA-N 3 1 338.499 3.392 20 0 EGADMP Clc1cc2c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c[nH]c2cn1 ZINC001235430269 1376872331 /nfs/dbraw/zinc/87/23/31/1376872331.db2.gz WJRRUWDYPHQMDN-ZIAGYGMSSA-N 2 1 332.879 3.428 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)cc1 ZINC001135095836 1376892174 /nfs/dbraw/zinc/89/21/74/1376892174.db2.gz SKXGNDBKFCBTFH-UXHICEINSA-N 2 1 343.515 3.033 20 0 EGADMP COCC[N@@H+](Cc1ccc2cc(N(C)C)ccc2c1)C1CC[NH2+]CC1 ZINC001235945844 1376922741 /nfs/dbraw/zinc/92/27/41/1376922741.db2.gz XKQCHAHSLZYPQI-UHFFFAOYSA-N 2 1 341.499 3.106 20 0 EGADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236182821 1376939631 /nfs/dbraw/zinc/93/96/31/1376939631.db2.gz QRWOCYRRIIDKPV-UHFFFAOYSA-N 2 1 332.451 3.150 20 0 EGADMP c1ccc(C[N@@H+](CCc2ccc3c(c2)CCO3)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236271104 1376948205 /nfs/dbraw/zinc/94/82/05/1376948205.db2.gz YMMLRYUWQRSHIZ-OAQYLSRUSA-N 2 1 336.479 3.418 20 0 EGADMP c1ccc(C[N@H+](CCc2ccc3c(c2)CCO3)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236271104 1376948214 /nfs/dbraw/zinc/94/82/14/1376948214.db2.gz YMMLRYUWQRSHIZ-OAQYLSRUSA-N 2 1 336.479 3.418 20 0 EGADMP CCC[N@@H+](Cc1ccc(-n2cccn2)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236844103 1376966009 /nfs/dbraw/zinc/96/60/09/1376966009.db2.gz SVZHVRWQYUVRSE-HNNXBMFYSA-N 2 1 332.879 3.347 20 0 EGADMP CCC[N@H+](Cc1ccc(-n2cccn2)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236844103 1376966020 /nfs/dbraw/zinc/96/60/20/1376966020.db2.gz SVZHVRWQYUVRSE-HNNXBMFYSA-N 2 1 332.879 3.347 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2Cl)N(C)C)CC[NH2+]1 ZINC001246297714 1377050869 /nfs/dbraw/zinc/05/08/69/1377050869.db2.gz XJVKNASUZJJTKD-GHJWDPDVSA-N 2 1 330.303 3.326 20 0 EGADMP C[C@H]1C[C@H](N2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CC[NH2+]1 ZINC001246755213 1377054485 /nfs/dbraw/zinc/05/44/85/1377054485.db2.gz HSXINISIGMDDPD-DLBZAZTESA-N 2 1 333.545 3.177 20 0 EGADMP C[C@H]1C[C@H]([NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)CC[NH2+]1 ZINC001246755213 1377054489 /nfs/dbraw/zinc/05/44/89/1377054489.db2.gz HSXINISIGMDDPD-DLBZAZTESA-N 3 1 333.545 3.177 20 0 EGADMP C[C@H]1C[C@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CC[NH2+]1 ZINC001246755213 1377054492 /nfs/dbraw/zinc/05/44/92/1377054492.db2.gz HSXINISIGMDDPD-DLBZAZTESA-N 3 1 333.545 3.177 20 0 EGADMP Fc1ccc(CN2CCC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC001246822057 1377055105 /nfs/dbraw/zinc/05/51/05/1377055105.db2.gz LXROZHDQVFEVPD-FQEVSTJZSA-N 2 1 345.506 3.256 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC001135440307 1377098656 /nfs/dbraw/zinc/09/86/56/1377098656.db2.gz KXTFZHCRHYDZTM-MOPGFXCFSA-N 2 1 339.568 3.421 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3F)CC2)CC1 ZINC001254508616 1377105092 /nfs/dbraw/zinc/10/50/92/1377105092.db2.gz KKWWBJSKNQGXTF-QGZVFWFLSA-N 2 1 337.458 3.003 20 0 EGADMP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135680458 1377182270 /nfs/dbraw/zinc/18/22/70/1377182270.db2.gz WEFKBRQHBGOKPK-DLBZAZTESA-N 2 1 336.524 3.425 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC=C(C)C ZINC001135690322 1377184563 /nfs/dbraw/zinc/18/45/63/1377184563.db2.gz GMLHDZGYNHNZLP-MSOLQXFVSA-N 2 1 325.541 3.338 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC/C=C/c1ccccc1 ZINC001135861937 1377238798 /nfs/dbraw/zinc/23/87/98/1377238798.db2.gz ZGMVORFQTFANII-RBAMYAFPSA-N 2 1 345.531 3.305 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135882669 1377248896 /nfs/dbraw/zinc/24/88/96/1377248896.db2.gz QVOCGMGHRWWADQ-QZTJIDSGSA-N 2 1 333.520 3.018 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266322503 1377273184 /nfs/dbraw/zinc/27/31/84/1377273184.db2.gz IOEQDGZWABOADM-RHSMWYFYSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266322503 1377273187 /nfs/dbraw/zinc/27/31/87/1377273187.db2.gz IOEQDGZWABOADM-RHSMWYFYSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266322503 1377273189 /nfs/dbraw/zinc/27/31/89/1377273189.db2.gz IOEQDGZWABOADM-RHSMWYFYSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266322503 1377273193 /nfs/dbraw/zinc/27/31/93/1377273193.db2.gz IOEQDGZWABOADM-RHSMWYFYSA-N 2 1 349.906 3.076 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001135975690 1377283841 /nfs/dbraw/zinc/28/38/41/1377283841.db2.gz ARUSXAAYVMPFOV-CABCVRRESA-N 2 1 339.911 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)sc1C ZINC001135980514 1377286138 /nfs/dbraw/zinc/28/61/38/1377286138.db2.gz PIXLMJPTRHCTHB-KGLIPLIRSA-N 2 1 339.549 3.080 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001266351888 1377290670 /nfs/dbraw/zinc/29/06/70/1377290670.db2.gz DVOGSTRTZUHCPH-QGZVFWFLSA-N 2 1 347.547 3.435 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001266351888 1377290675 /nfs/dbraw/zinc/29/06/75/1377290675.db2.gz DVOGSTRTZUHCPH-QGZVFWFLSA-N 2 1 347.547 3.435 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001266351888 1377290679 /nfs/dbraw/zinc/29/06/79/1377290679.db2.gz DVOGSTRTZUHCPH-QGZVFWFLSA-N 2 1 347.547 3.435 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(CC)cc1 ZINC001135996357 1377292321 /nfs/dbraw/zinc/29/23/21/1377292321.db2.gz RSIBTRWGNSBJQF-ZWKOTPCHSA-N 2 1 347.547 3.354 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCCn2ccnc2)C1 ZINC001266364505 1377296879 /nfs/dbraw/zinc/29/68/79/1377296879.db2.gz WZFBFRXQHQONSV-OALUTQOASA-N 2 1 340.471 3.005 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001327309381 1388493670 /nfs/dbraw/zinc/49/36/70/1388493670.db2.gz VBHGRCDNTQQDIS-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266754703 1377377379 /nfs/dbraw/zinc/37/73/79/1377377379.db2.gz GRDRSWQFWDMOJQ-SFHVURJKSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001267789543 1377469212 /nfs/dbraw/zinc/46/92/12/1377469212.db2.gz IWYLLTGDHNUJTE-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC001267789543 1377469214 /nfs/dbraw/zinc/46/92/14/1377469214.db2.gz IWYLLTGDHNUJTE-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC001267789543 1377469217 /nfs/dbraw/zinc/46/92/17/1377469217.db2.gz IWYLLTGDHNUJTE-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@@H](C(=O)NC1C[NH+](CC2CCC(C)(C)CC2)C1)[NH+](CC)CC ZINC001268446011 1377508349 /nfs/dbraw/zinc/50/83/49/1377508349.db2.gz DBRHQECEZISAQS-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP c1nc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cs1 ZINC001137599494 1377570123 /nfs/dbraw/zinc/57/01/23/1377570123.db2.gz XBBPDFMGINLYRW-MSOLQXFVSA-N 2 1 327.497 3.487 20 0 EGADMP c1nc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cs1 ZINC001137599494 1377570125 /nfs/dbraw/zinc/57/01/25/1377570125.db2.gz XBBPDFMGINLYRW-MSOLQXFVSA-N 2 1 327.497 3.487 20 0 EGADMP c1nc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cs1 ZINC001137599494 1377570126 /nfs/dbraw/zinc/57/01/26/1377570126.db2.gz XBBPDFMGINLYRW-MSOLQXFVSA-N 2 1 327.497 3.487 20 0 EGADMP c1nc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cs1 ZINC001137599494 1377570128 /nfs/dbraw/zinc/57/01/28/1377570128.db2.gz XBBPDFMGINLYRW-MSOLQXFVSA-N 2 1 327.497 3.487 20 0 EGADMP c1nc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cs1 ZINC001137599494 1377570130 /nfs/dbraw/zinc/57/01/30/1377570130.db2.gz XBBPDFMGINLYRW-MSOLQXFVSA-N 2 1 327.497 3.487 20 0 EGADMP Cc1c2ccccc2sc1C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001138462065 1377727171 /nfs/dbraw/zinc/72/71/71/1377727171.db2.gz WTCMRQISSPOUPS-ZWKOTPCHSA-N 2 1 343.540 3.420 20 0 EGADMP Cc1nccn1-c1ccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC001138547718 1377739179 /nfs/dbraw/zinc/73/91/79/1377739179.db2.gz RQQCXDKSSXEEAA-FQEVSTJZSA-N 2 1 334.423 3.229 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC001138547718 1377739184 /nfs/dbraw/zinc/73/91/84/1377739184.db2.gz RQQCXDKSSXEEAA-FQEVSTJZSA-N 2 1 334.423 3.229 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC001138547718 1377739189 /nfs/dbraw/zinc/73/91/89/1377739189.db2.gz RQQCXDKSSXEEAA-FQEVSTJZSA-N 2 1 334.423 3.229 20 0 EGADMP CCOC(=O)[C@@H]1CCCC[N@@H+](Cc2ccc(-n3ccnc3C)cc2)C1 ZINC001138548545 1377739269 /nfs/dbraw/zinc/73/92/69/1377739269.db2.gz HNVKXZAABISYJG-GOSISDBHSA-N 2 1 341.455 3.346 20 0 EGADMP CCOC(=O)[C@@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138548545 1377739273 /nfs/dbraw/zinc/73/92/73/1377739273.db2.gz HNVKXZAABISYJG-GOSISDBHSA-N 2 1 341.455 3.346 20 0 EGADMP CCOC(=O)[C@@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138548545 1377739275 /nfs/dbraw/zinc/73/92/75/1377739275.db2.gz HNVKXZAABISYJG-GOSISDBHSA-N 2 1 341.455 3.346 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccnn2[C@H]2CCCCO2)CC1 ZINC001138778409 1377783544 /nfs/dbraw/zinc/78/35/44/1377783544.db2.gz BWTJVIGUKRGCJW-LJQANCHMSA-N 2 1 334.508 3.134 20 0 EGADMP Cc1n[nH]c(C)c1C[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001139095780 1377828884 /nfs/dbraw/zinc/82/88/84/1377828884.db2.gz CAVXHWQAWXWGQO-IBGZPJMESA-N 2 1 342.487 3.496 20 0 EGADMP Nc1ncc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)s1 ZINC001139230931 1377856586 /nfs/dbraw/zinc/85/65/86/1377856586.db2.gz NGYDKZULRFRJNB-BURFUSLBSA-N 2 1 344.528 3.120 20 0 EGADMP Nc1ncc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)s1 ZINC001139230931 1377856591 /nfs/dbraw/zinc/85/65/91/1377856591.db2.gz NGYDKZULRFRJNB-BURFUSLBSA-N 2 1 344.528 3.120 20 0 EGADMP Nc1ncc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)s1 ZINC001139230931 1377856598 /nfs/dbraw/zinc/85/65/98/1377856598.db2.gz NGYDKZULRFRJNB-BURFUSLBSA-N 2 1 344.528 3.120 20 0 EGADMP Nc1ncc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)s1 ZINC001139230931 1377856603 /nfs/dbraw/zinc/85/66/03/1377856603.db2.gz NGYDKZULRFRJNB-BURFUSLBSA-N 2 1 344.528 3.120 20 0 EGADMP CN(C)c1ccc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC001139460049 1377885917 /nfs/dbraw/zinc/88/59/17/1377885917.db2.gz BYGSQLWCAKNSDB-UHFFFAOYSA-N 2 1 330.520 3.377 20 0 EGADMP CN(C)c1ccc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC001139460049 1377885919 /nfs/dbraw/zinc/88/59/19/1377885919.db2.gz BYGSQLWCAKNSDB-UHFFFAOYSA-N 2 1 330.520 3.377 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc(=O)[nH]c1)CC2 ZINC001139465691 1377887909 /nfs/dbraw/zinc/88/79/09/1377887909.db2.gz QYHBOWKVLJWIAX-SFHVURJKSA-N 2 1 341.455 3.257 20 0 EGADMP CCN1CCC([N@@H+](C)Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001139537573 1377900362 /nfs/dbraw/zinc/90/03/62/1377900362.db2.gz ALMYFVPINLFUFQ-UHFFFAOYSA-N 2 1 340.393 3.498 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001139537573 1377900364 /nfs/dbraw/zinc/90/03/64/1377900364.db2.gz ALMYFVPINLFUFQ-UHFFFAOYSA-N 2 1 340.393 3.498 20 0 EGADMP C[NH+]1CCC(C2CC[NH+](Cc3ccnc(Cl)c3F)CC2)CC1 ZINC001139664351 1377929409 /nfs/dbraw/zinc/92/94/09/1377929409.db2.gz PEZXVMPYRRJVJL-UHFFFAOYSA-N 2 1 325.859 3.428 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c[nH]c3ncnc(Cl)c23)CC1 ZINC001139937187 1377980199 /nfs/dbraw/zinc/98/01/99/1377980199.db2.gz LGPLILZOKRPOFR-UHFFFAOYSA-N 2 1 335.883 3.115 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(Cc3cccnn3)C[C@@H]21 ZINC001139972440 1377985247 /nfs/dbraw/zinc/98/52/47/1377985247.db2.gz OKSYMIGSYWSDSQ-AYOQOUSVSA-N 2 1 342.512 3.271 20 0 EGADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccnn3)C[C@@H]21 ZINC001139972440 1377985251 /nfs/dbraw/zinc/98/52/51/1377985251.db2.gz OKSYMIGSYWSDSQ-AYOQOUSVSA-N 2 1 342.512 3.271 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccnn3)C[C@@H]21 ZINC001139972440 1377985254 /nfs/dbraw/zinc/98/52/54/1377985254.db2.gz OKSYMIGSYWSDSQ-AYOQOUSVSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccnn3)C[C@@H]21 ZINC001139972440 1377985261 /nfs/dbraw/zinc/98/52/61/1377985261.db2.gz OKSYMIGSYWSDSQ-AYOQOUSVSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccnn3)C[C@@H]21 ZINC001139972440 1377985265 /nfs/dbraw/zinc/98/52/65/1377985265.db2.gz OKSYMIGSYWSDSQ-AYOQOUSVSA-N 2 1 342.512 3.271 20 0 EGADMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1csc2ccccc12 ZINC001140638029 1378102911 /nfs/dbraw/zinc/10/29/11/1378102911.db2.gz DGVDPJVPFNITIP-UHFFFAOYSA-N 2 1 334.485 3.218 20 0 EGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1csc2ccccc12 ZINC001140638029 1378102914 /nfs/dbraw/zinc/10/29/14/1378102914.db2.gz DGVDPJVPFNITIP-UHFFFAOYSA-N 2 1 334.485 3.218 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc3ncn(C)c3c2)CC1 ZINC001140737299 1378128082 /nfs/dbraw/zinc/12/80/82/1378128082.db2.gz LVCHFQPRLMUJJI-UHFFFAOYSA-N 2 1 335.455 3.016 20 0 EGADMP C[C@@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCC[C@@]1(O)C(F)(F)F ZINC001140802397 1378140863 /nfs/dbraw/zinc/14/08/63/1378140863.db2.gz UUHYUGLPASNBGK-ABAIWWIYSA-N 2 1 327.350 3.088 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCC[C@@]1(O)C(F)(F)F ZINC001140802397 1378140865 /nfs/dbraw/zinc/14/08/65/1378140865.db2.gz UUHYUGLPASNBGK-ABAIWWIYSA-N 2 1 327.350 3.088 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801427 1378141855 /nfs/dbraw/zinc/14/18/55/1378141855.db2.gz NDBWWTPANRZSFW-YOEHRIQHSA-N 2 1 342.443 3.004 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C[N@H+]2Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801427 1378141858 /nfs/dbraw/zinc/14/18/58/1378141858.db2.gz NDBWWTPANRZSFW-YOEHRIQHSA-N 2 1 342.443 3.004 20 0 EGADMP C[N@@H+](CCc1ccc(F)cc1)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140974204 1378198207 /nfs/dbraw/zinc/19/82/07/1378198207.db2.gz XLYLWHTVRJDHJS-UHFFFAOYSA-N 2 1 341.474 3.252 20 0 EGADMP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCC[C@@]12CC[N@@H+](CCC1CC1)C2 ZINC001278210965 1378263585 /nfs/dbraw/zinc/26/35/85/1378263585.db2.gz FMECJGIAMJSLKV-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC001141284567 1378290881 /nfs/dbraw/zinc/29/08/81/1378290881.db2.gz DDPGOFBITHNPTK-VQTJNVASSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H]1CCC[N@H+]1Cc1[nH]c(C)c(C(=O)NCC[NH+](CC)CC)c1C ZINC001141572845 1378345342 /nfs/dbraw/zinc/34/53/42/1378345342.db2.gz AOMTVAGDMBZTQW-QGZVFWFLSA-N 2 1 348.535 3.078 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001280770503 1378372057 /nfs/dbraw/zinc/37/20/57/1378372057.db2.gz QYGFMAOYSRJMEB-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001280770503 1378372061 /nfs/dbraw/zinc/37/20/61/1378372061.db2.gz QYGFMAOYSRJMEB-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001280770503 1378372066 /nfs/dbraw/zinc/37/20/66/1378372066.db2.gz QYGFMAOYSRJMEB-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(OC(F)(F)F)c1 ZINC001144050982 1378674941 /nfs/dbraw/zinc/67/49/41/1378674941.db2.gz BTROWQMMTJJJDV-UHFFFAOYSA-N 2 1 346.393 3.367 20 0 EGADMP c1[nH+]c(CN2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)c2ccccn12 ZINC001144624815 1378752730 /nfs/dbraw/zinc/75/27/30/1378752730.db2.gz RSXXJASBBRRRKA-RXVVDRJESA-N 2 1 332.451 3.041 20 0 EGADMP c1[nH+]c(CN2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)c2ccccn12 ZINC001144624815 1378752735 /nfs/dbraw/zinc/75/27/35/1378752735.db2.gz RSXXJASBBRRRKA-RXVVDRJESA-N 2 1 332.451 3.041 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001146593214 1378873996 /nfs/dbraw/zinc/87/39/96/1378873996.db2.gz OMUPKKYFQRKQPI-LSDHHAIUSA-N 2 1 339.911 3.053 20 0 EGADMP Cc1cccc(C)c1C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146594477 1378874387 /nfs/dbraw/zinc/87/43/87/1378874387.db2.gz SXYAHQQTJAQAHW-QZTJIDSGSA-N 2 1 333.520 3.017 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001146594460 1378874680 /nfs/dbraw/zinc/87/46/80/1378874680.db2.gz SQONJWSRQVBSJQ-IAGOWNOFSA-N 2 1 339.568 3.416 20 0 EGADMP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001146594869 1378874752 /nfs/dbraw/zinc/87/47/52/1378874752.db2.gz VSVQRLZDUAOYLZ-ROUUACIJSA-N 2 1 333.520 3.017 20 0 EGADMP Cc1cccc(CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001146594255 1378874875 /nfs/dbraw/zinc/87/48/75/1378874875.db2.gz SDFPLXSTXRIDIK-RBUKOAKNSA-N 2 1 347.547 3.141 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001283705651 1379131709 /nfs/dbraw/zinc/13/17/09/1379131709.db2.gz URDBODUPOFALTR-SJORKVTESA-N 2 1 345.531 3.015 20 0 EGADMP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@@H+](CC[C@@H]1CCC[C@@H](C)C1)C2 ZINC001148469774 1379179079 /nfs/dbraw/zinc/17/90/79/1379179079.db2.gz UYGKKYLAKSDFHJ-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC[C@@H]1CCC[C@H](C)C1)C2 ZINC001148842841 1379282068 /nfs/dbraw/zinc/28/20/68/1379282068.db2.gz CZXAYBKWTXOGNP-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CC[C@@H]1CCC[C@H](C)C1)C2 ZINC001148842841 1379282071 /nfs/dbraw/zinc/28/20/71/1379282071.db2.gz CZXAYBKWTXOGNP-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CC[C@@H]1CCC[C@H](C)C1)C2 ZINC001148842841 1379282076 /nfs/dbraw/zinc/28/20/76/1379282076.db2.gz CZXAYBKWTXOGNP-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001152458377 1379937152 /nfs/dbraw/zinc/93/71/52/1379937152.db2.gz OLUPCFWFCQWTLQ-FXAWDEMLSA-N 2 1 345.531 3.451 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313477 1380053184 /nfs/dbraw/zinc/05/31/84/1380053184.db2.gz SGUDGAHNIITBJS-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153313477 1380053187 /nfs/dbraw/zinc/05/31/87/1380053187.db2.gz SGUDGAHNIITBJS-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153313477 1380053193 /nfs/dbraw/zinc/05/31/93/1380053193.db2.gz SGUDGAHNIITBJS-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153484986 1380083943 /nfs/dbraw/zinc/08/39/43/1380083943.db2.gz LGDKMCBOHUHKHP-ZHALLVOQSA-N 2 1 335.536 3.044 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153484986 1380083945 /nfs/dbraw/zinc/08/39/45/1380083945.db2.gz LGDKMCBOHUHKHP-ZHALLVOQSA-N 2 1 335.536 3.044 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153484986 1380083947 /nfs/dbraw/zinc/08/39/47/1380083947.db2.gz LGDKMCBOHUHKHP-ZHALLVOQSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001153653688 1380110753 /nfs/dbraw/zinc/11/07/53/1380110753.db2.gz AJMWODJAXIAHKB-LLSOJIOMSA-N 2 1 343.531 3.239 20 0 EGADMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H](C)[N@@H+](CC)CCC1CCCC1 ZINC001153677450 1380113411 /nfs/dbraw/zinc/11/34/11/1380113411.db2.gz DODWLRJIOPBOBJ-SJLPKXTDSA-N 2 1 343.531 3.073 20 0 EGADMP CC[N@@H+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153850847 1380143621 /nfs/dbraw/zinc/14/36/21/1380143621.db2.gz IZDRJHGZDUCLKG-ZVBPTUHVSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153850847 1380143622 /nfs/dbraw/zinc/14/36/22/1380143622.db2.gz IZDRJHGZDUCLKG-ZVBPTUHVSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153850847 1380143623 /nfs/dbraw/zinc/14/36/23/1380143623.db2.gz IZDRJHGZDUCLKG-ZVBPTUHVSA-N 2 1 343.515 3.011 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153880120 1380148915 /nfs/dbraw/zinc/14/89/15/1380148915.db2.gz ZBOWAQAGIYAMHA-SJLPKXTDSA-N 2 1 325.541 3.124 20 0 EGADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153880120 1380148917 /nfs/dbraw/zinc/14/89/17/1380148917.db2.gz ZBOWAQAGIYAMHA-SJLPKXTDSA-N 2 1 325.541 3.124 20 0 EGADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153880120 1380148919 /nfs/dbraw/zinc/14/89/19/1380148919.db2.gz ZBOWAQAGIYAMHA-SJLPKXTDSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990748 1380172779 /nfs/dbraw/zinc/17/27/79/1380172779.db2.gz QMVNSCSMNONKNW-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001154344358 1380260888 /nfs/dbraw/zinc/26/08/88/1380260888.db2.gz BQDRGJXHIXEGNC-QGZVFWFLSA-N 2 1 348.535 3.025 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001154344358 1380260889 /nfs/dbraw/zinc/26/08/89/1380260889.db2.gz BQDRGJXHIXEGNC-QGZVFWFLSA-N 2 1 348.535 3.025 20 0 EGADMP CC[N@@H+](Cc1ccc2ccccc2c1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005514 1380389173 /nfs/dbraw/zinc/38/91/73/1380389173.db2.gz OSPWJVGOWIENEO-QGZVFWFLSA-N 2 1 341.499 3.118 20 0 EGADMP CCc1ccccc1C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066318 1380401586 /nfs/dbraw/zinc/40/15/86/1380401586.db2.gz FEGXSIGFZFHTMO-YLJYHZDGSA-N 2 1 347.547 3.162 20 0 EGADMP c1ccc2c(c1)CC[N@@H+]1CCN(c3cc(N4CCCC4)cc[nH+]3)C[C@H]21 ZINC001155094434 1380407102 /nfs/dbraw/zinc/40/71/02/1380407102.db2.gz BMSJOUQDNNRXPW-HXUWFJFHSA-N 2 1 334.467 3.101 20 0 EGADMP Cc1ccc2c(c1)[C@@H](Nc1[nH+]cnc3c1ccn3C)CC21CC[NH2+]CC1 ZINC001155431799 1380452055 /nfs/dbraw/zinc/45/20/55/1380452055.db2.gz XHPBWYHSEGZVCH-SFHVURJKSA-N 2 1 347.466 3.455 20 0 EGADMP Cc1ccc2c(C)cc(NCC[C@H]3CCOC34C[NH2+]C4)[nH+]c2c1C ZINC001155478266 1380458136 /nfs/dbraw/zinc/45/81/36/1380458136.db2.gz MALVEOAYUKUNEC-INIZCTEOSA-N 2 1 325.456 3.341 20 0 EGADMP CC[N@@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)C[C@@H](C)n1ccnc1 ZINC001155520720 1380463741 /nfs/dbraw/zinc/46/37/41/1380463741.db2.gz AKCIWDZRSNOZJU-IAGOWNOFSA-N 2 1 346.519 3.241 20 0 EGADMP CC[N@@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631390 1380476822 /nfs/dbraw/zinc/47/68/22/1380476822.db2.gz PTGHBRPKKLRYFC-ZWKOTPCHSA-N 2 1 339.568 3.227 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001155883696 1380502570 /nfs/dbraw/zinc/50/25/70/1380502570.db2.gz BUDBPPJZDBAIEB-MSOLQXFVSA-N 2 1 327.557 3.370 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4nc(NC5CC5)cc[nH+]4)[C@@H]3C2)cc1 ZINC001156316219 1380556657 /nfs/dbraw/zinc/55/66/57/1380556657.db2.gz VGSZKMMAELEVRE-QXAKKESOSA-N 2 1 349.482 3.373 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4nc(NC5CC5)cc[nH+]4)[C@@H]3C2)cc1 ZINC001156316219 1380556666 /nfs/dbraw/zinc/55/66/66/1380556666.db2.gz VGSZKMMAELEVRE-QXAKKESOSA-N 2 1 349.482 3.373 20 0 EGADMP C[N@@H+]1CCC[C@H](CCNc2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001156387523 1380569502 /nfs/dbraw/zinc/56/95/02/1380569502.db2.gz GBWXTUOUJKVTEH-OAHLLOKOSA-N 2 1 336.911 3.475 20 0 EGADMP C[N@H+]1CCC[C@H](CCNc2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001156387523 1380569506 /nfs/dbraw/zinc/56/95/06/1380569506.db2.gz GBWXTUOUJKVTEH-OAHLLOKOSA-N 2 1 336.911 3.475 20 0 EGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)nc1 ZINC001156401680 1380571820 /nfs/dbraw/zinc/57/18/20/1380571820.db2.gz JECVONOLXJHRCB-WSTZPKSXSA-N 2 1 328.504 3.016 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1csc(C)c1 ZINC001156516997 1380587476 /nfs/dbraw/zinc/58/74/76/1380587476.db2.gz LVPGICHSVQKYIV-OAHLLOKOSA-N 2 1 339.549 3.115 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1csc(C)c1 ZINC001156516997 1380587477 /nfs/dbraw/zinc/58/74/77/1380587477.db2.gz LVPGICHSVQKYIV-OAHLLOKOSA-N 2 1 339.549 3.115 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1csc(C)c1 ZINC001156516997 1380587478 /nfs/dbraw/zinc/58/74/78/1380587478.db2.gz LVPGICHSVQKYIV-OAHLLOKOSA-N 2 1 339.549 3.115 20 0 EGADMP CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156967201 1380739055 /nfs/dbraw/zinc/73/90/55/1380739055.db2.gz OISBNAPEBBCOKO-GOSISDBHSA-N 2 1 343.531 3.219 20 0 EGADMP CC[N@@H+](Cc1ccccc1C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109765 1380778506 /nfs/dbraw/zinc/77/85/06/1380778506.db2.gz VGPXEGJXQAYUCD-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](Cc1ccccc1C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001157109765 1380778511 /nfs/dbraw/zinc/77/85/11/1380778511.db2.gz VGPXEGJXQAYUCD-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](Cc1ccccc1C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001157109765 1380778517 /nfs/dbraw/zinc/77/85/17/1380778517.db2.gz VGPXEGJXQAYUCD-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157119368 1380780828 /nfs/dbraw/zinc/78/08/28/1380780828.db2.gz VUINCJWEMXCQBN-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CN(CC[N@@H+](C)Cc1ccccc1)c1ccc(C[NH+]2CCCC2)cn1 ZINC001157556874 1380965176 /nfs/dbraw/zinc/96/51/76/1380965176.db2.gz RJTUWFKKQCYHEQ-UHFFFAOYSA-N 2 1 338.499 3.246 20 0 EGADMP CN(CC[N@@H+](C)Cc1ccccc1)c1ncccc1C[NH+]1CCCC1 ZINC001157556441 1380965384 /nfs/dbraw/zinc/96/53/84/1380965384.db2.gz GRZFGIROBXFWPB-UHFFFAOYSA-N 2 1 338.499 3.246 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001158082711 1381123220 /nfs/dbraw/zinc/12/32/20/1381123220.db2.gz IYGNDROWCWEIKP-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001158082711 1381123227 /nfs/dbraw/zinc/12/32/27/1381123227.db2.gz IYGNDROWCWEIKP-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001158082711 1381123232 /nfs/dbraw/zinc/12/32/32/1381123232.db2.gz IYGNDROWCWEIKP-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CCC2CC2)CCCC1 ZINC001158276693 1381182476 /nfs/dbraw/zinc/18/24/76/1381182476.db2.gz AOQFJKVBCKJIPL-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cc(-n2ccnc2)cc[nH+]1 ZINC001158297883 1381189962 /nfs/dbraw/zinc/18/99/62/1381189962.db2.gz XZQDQVDZWDCYTJ-UHFFFAOYSA-N 2 1 347.422 3.029 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001158385712 1381226866 /nfs/dbraw/zinc/22/68/66/1381226866.db2.gz MMVWHIUNWRLSEK-GBESFXJTSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001158385712 1381226871 /nfs/dbraw/zinc/22/68/71/1381226871.db2.gz MMVWHIUNWRLSEK-GBESFXJTSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001158385712 1381226876 /nfs/dbraw/zinc/22/68/76/1381226876.db2.gz MMVWHIUNWRLSEK-GBESFXJTSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001158428837 1381241959 /nfs/dbraw/zinc/24/19/59/1381241959.db2.gz WCRGLRZNRYJUCC-MBOZVWFJSA-N 2 1 345.531 3.307 20 0 EGADMP C[N@@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158435148 1381246391 /nfs/dbraw/zinc/24/63/91/1381246391.db2.gz TUQYGYIASLNJNQ-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CCCC2CCC2)C1 ZINC001158474306 1381256436 /nfs/dbraw/zinc/25/64/36/1381256436.db2.gz XBUWIRPRNAGXTR-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@H+](C)CCCC2CCC2)C1 ZINC001158474306 1381256438 /nfs/dbraw/zinc/25/64/38/1381256438.db2.gz XBUWIRPRNAGXTR-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CCCC2CCC2)C1 ZINC001158474306 1381256443 /nfs/dbraw/zinc/25/64/43/1381256443.db2.gz XBUWIRPRNAGXTR-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H](F)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480225 1381261231 /nfs/dbraw/zinc/26/12/31/1381261231.db2.gz JFHSXQSSFQIMHE-DLBZAZTESA-N 2 1 343.531 3.025 20 0 EGADMP C[C@H](F)CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001158480225 1381261236 /nfs/dbraw/zinc/26/12/36/1381261236.db2.gz JFHSXQSSFQIMHE-DLBZAZTESA-N 2 1 343.531 3.025 20 0 EGADMP C[C@H](F)CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001158480225 1381261241 /nfs/dbraw/zinc/26/12/41/1381261241.db2.gz JFHSXQSSFQIMHE-DLBZAZTESA-N 2 1 343.531 3.025 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)C[C@H](C)CC(C)C)[NH+](C)C ZINC001158487141 1381264018 /nfs/dbraw/zinc/26/40/18/1381264018.db2.gz SXTAMZUMEWILRK-QRVBRYPASA-N 2 1 339.568 3.322 20 0 EGADMP CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001158597440 1381313647 /nfs/dbraw/zinc/31/36/47/1381313647.db2.gz CKJGUIWSSMBPIB-LJQANCHMSA-N 2 1 346.519 3.251 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001158597440 1381313651 /nfs/dbraw/zinc/31/36/51/1381313651.db2.gz CKJGUIWSSMBPIB-LJQANCHMSA-N 2 1 346.519 3.251 20 0 EGADMP CC(C)(C)OC(=O)c1c(Nc2ccc[nH+]c2N)sc2c1CC[NH2+]C2 ZINC001159272968 1381748770 /nfs/dbraw/zinc/74/87/70/1381748770.db2.gz SUNHYUJXQLODSN-UHFFFAOYSA-N 2 1 346.456 3.070 20 0 EGADMP CC[NH+](CC)c1ccc(Nc2ccc(N3CC[NH2+]CC3)nc2)c(C)c1 ZINC001159656034 1381861096 /nfs/dbraw/zinc/86/10/96/1381861096.db2.gz NFRGHYYZOCVTJO-UHFFFAOYSA-N 2 1 339.487 3.389 20 0 EGADMP FC(F)(F)c1c[nH+]ccc1Nc1ccccc1OC1CC[NH2+]CC1 ZINC001159808534 1381907345 /nfs/dbraw/zinc/90/73/45/1381907345.db2.gz XNQFJUGVLOGKMC-UHFFFAOYSA-N 2 1 337.345 3.397 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CCCC2CCCC2)C1 ZINC001159837505 1381916888 /nfs/dbraw/zinc/91/68/88/1381916888.db2.gz FERZQNJJSCPAAB-IBGZPJMESA-N 2 1 337.552 3.031 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]C/C=C\c1ccccc1 ZINC001159902227 1381932539 /nfs/dbraw/zinc/93/25/39/1381932539.db2.gz VCTWXCXWWALAQL-QLQLNADESA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC001159909217 1381934508 /nfs/dbraw/zinc/93/45/08/1381934508.db2.gz LMIZJZJZVVKKOP-DLBZAZTESA-N 2 1 349.494 3.246 20 0 EGADMP Nc1cccc(F)c1N(CC1CC[NH2+]CC1)c1ccc2[nH+]ccn2c1 ZINC001160121087 1382002647 /nfs/dbraw/zinc/00/26/47/1382002647.db2.gz BTLKBTWEMJTPMX-UHFFFAOYSA-N 2 1 339.418 3.193 20 0 EGADMP CC(C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001160142705 1382014558 /nfs/dbraw/zinc/01/45/58/1382014558.db2.gz TZHLZHMUFMTOQW-LJQANCHMSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001160142705 1382014563 /nfs/dbraw/zinc/01/45/63/1382014563.db2.gz TZHLZHMUFMTOQW-LJQANCHMSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001160142705 1382014567 /nfs/dbraw/zinc/01/45/67/1382014567.db2.gz TZHLZHMUFMTOQW-LJQANCHMSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C)c1ccc(F)cc1 ZINC001160273204 1382058036 /nfs/dbraw/zinc/05/80/36/1382058036.db2.gz JJUXPDPLLLJJKU-RBUKOAKNSA-N 2 1 349.494 3.247 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001160275076 1382058513 /nfs/dbraw/zinc/05/85/13/1382058513.db2.gz ZVKIWKJYXXUFHR-FQEVSTJZSA-N 2 1 343.515 3.034 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](C[C@@H](C)CC)CC1 ZINC001160285200 1382061307 /nfs/dbraw/zinc/06/13/07/1382061307.db2.gz DWHARUZBTQDTKU-HKUYNNGSSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](C[C@@H](C)CC)CC1 ZINC001160285200 1382061310 /nfs/dbraw/zinc/06/13/10/1382061310.db2.gz DWHARUZBTQDTKU-HKUYNNGSSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](C[C@@H](C)CC)CC1 ZINC001160285200 1382061315 /nfs/dbraw/zinc/06/13/15/1382061315.db2.gz DWHARUZBTQDTKU-HKUYNNGSSA-N 2 1 335.536 3.045 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160360358 1382082229 /nfs/dbraw/zinc/08/22/29/1382082229.db2.gz POURCTZPFKHAMO-SREVYHEPSA-N 2 1 347.547 3.356 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001160518549 1382129869 /nfs/dbraw/zinc/12/98/69/1382129869.db2.gz NFJMCQJMJPNHJQ-UHFFFAOYSA-N 2 1 337.552 3.291 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001160518549 1382129872 /nfs/dbraw/zinc/12/98/72/1382129872.db2.gz NFJMCQJMJPNHJQ-UHFFFAOYSA-N 2 1 337.552 3.291 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001160518549 1382129876 /nfs/dbraw/zinc/12/98/76/1382129876.db2.gz NFJMCQJMJPNHJQ-UHFFFAOYSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160592743 1382149431 /nfs/dbraw/zinc/14/94/31/1382149431.db2.gz BYBIGRNPOZTHQK-ARJAWSKDSA-N 2 1 345.531 3.110 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001161020679 1382275593 /nfs/dbraw/zinc/27/55/93/1382275593.db2.gz HUSHPKJMYLKRDY-MRXNPFEDSA-N 2 1 347.503 3.139 20 0 EGADMP c1cc2c([nH+]c1NC1CC[NH+](CC3CCOCC3)CC1)CCCC2 ZINC001161211901 1382343416 /nfs/dbraw/zinc/34/34/16/1382343416.db2.gz IDKFPONSHWDQOM-UHFFFAOYSA-N 2 1 329.488 3.263 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NCCC2=CC[N@H+](CCCC(C)(C)C)CC2)C1 ZINC001161219285 1382345139 /nfs/dbraw/zinc/34/51/39/1382345139.db2.gz BCJSRVPGQGWXNX-GOSISDBHSA-N 2 1 349.563 3.293 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NCCC2=CC[N@@H+](CCCC(C)(C)C)CC2)C1 ZINC001161219285 1382345143 /nfs/dbraw/zinc/34/51/43/1382345143.db2.gz BCJSRVPGQGWXNX-GOSISDBHSA-N 2 1 349.563 3.293 20 0 EGADMP CC[C@@H](C(=O)NCCC1=CC[N@@H+](CCCC(C)(C)C)CC1)[NH+](C)C ZINC001161240341 1382351990 /nfs/dbraw/zinc/35/19/90/1382351990.db2.gz TZFKJUWVOOMHOM-SFHVURJKSA-N 2 1 337.552 3.291 20 0 EGADMP CC[C@@H](C(=O)NCCC1=CC[N@@H+](CC2CCC(C)CC2)CC1)[NH+](C)C ZINC001161239736 1382352036 /nfs/dbraw/zinc/35/20/36/1382352036.db2.gz LHOSORXGNBMIMG-UUKMXZOPSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161391472 1382396442 /nfs/dbraw/zinc/39/64/42/1382396442.db2.gz RPFZDAKAEFYSTI-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC001161412968 1382402861 /nfs/dbraw/zinc/40/28/61/1382402861.db2.gz NCDFHZRPEBYOAQ-MUGJNUQGSA-N 2 1 343.515 3.045 20 0 EGADMP CC[NH+](CC)CC(=O)NCCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001161504335 1382425141 /nfs/dbraw/zinc/42/51/41/1382425141.db2.gz IHXASQGDJCQQJG-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001161644614 1382468195 /nfs/dbraw/zinc/46/81/95/1382468195.db2.gz PZRRPWDWVBIHKX-LJQANCHMSA-N 2 1 335.536 3.093 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001161649271 1382470155 /nfs/dbraw/zinc/47/01/55/1382470155.db2.gz AEVCSLMAVGAOQD-FQEVSTJZSA-N 2 1 345.531 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CC(C)C)CC1 ZINC001161678340 1382478134 /nfs/dbraw/zinc/47/81/34/1382478134.db2.gz FTGDQPLOMPTOLP-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC(C)C)CC1 ZINC001161678340 1382478135 /nfs/dbraw/zinc/47/81/35/1382478135.db2.gz FTGDQPLOMPTOLP-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC(C)C)CC1 ZINC001161678340 1382478138 /nfs/dbraw/zinc/47/81/38/1382478138.db2.gz FTGDQPLOMPTOLP-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161704537 1382485521 /nfs/dbraw/zinc/48/55/21/1382485521.db2.gz CDMXIQOHMRPICB-WOJBJXKFSA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@H+](CCC2CCCCC2)CC1 ZINC001161947124 1382565552 /nfs/dbraw/zinc/56/55/52/1382565552.db2.gz ZHXMKCAWQIIBQA-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@@H+](CCC2CCCCC2)CC1 ZINC001161947124 1382565556 /nfs/dbraw/zinc/56/55/56/1382565556.db2.gz ZHXMKCAWQIIBQA-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@H+](CC2CCCCCC2)CC1 ZINC001161947031 1382565864 /nfs/dbraw/zinc/56/58/64/1382565864.db2.gz SNEWMRIKDAQHGS-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@@H+](CC2CCCCCC2)CC1 ZINC001161947031 1382565870 /nfs/dbraw/zinc/56/58/70/1382565870.db2.gz SNEWMRIKDAQHGS-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP [NH3+][C@H]1CCC[C@@H](Nc2nccc3c2CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001162392534 1382745843 /nfs/dbraw/zinc/74/58/43/1382745843.db2.gz GRNLDBZGAQJWIB-RBUKOAKNSA-N 2 1 336.483 3.322 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](Nc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)C1 ZINC001162396929 1382747519 /nfs/dbraw/zinc/74/75/19/1382747519.db2.gz PTEWINGYDPGYJD-VYDXJSESSA-N 3 1 327.476 3.033 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)nc1 ZINC001162803697 1382877599 /nfs/dbraw/zinc/87/75/99/1382877599.db2.gz UMUAPWGVCYAHCN-NXWXRZEISA-N 2 1 326.488 3.205 20 0 EGADMP Cc1ccc2c(c1)[C@H](Nc1[nH+]cnc3[nH]ccc31)CC21CC[NH2+]CC1 ZINC001163029416 1382951175 /nfs/dbraw/zinc/95/11/75/1382951175.db2.gz CGJOMRADVDNQLH-QGZVFWFLSA-N 2 1 333.439 3.444 20 0 EGADMP Cc1cc(C)c2[nH+]c(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)cc(C)c2c1 ZINC001163162471 1382980524 /nfs/dbraw/zinc/98/05/24/1382980524.db2.gz BIEQCINZSYEYMZ-NUJGCVRESA-N 2 1 325.456 3.196 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001163821281 1383125584 /nfs/dbraw/zinc/12/55/84/1383125584.db2.gz MPFDZTFJRNATNZ-SFHVURJKSA-N 2 1 349.563 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001164455503 1383188340 /nfs/dbraw/zinc/18/83/40/1383188340.db2.gz CLBFGWCAKLQMSY-SJLPKXTDSA-N 2 1 349.494 3.105 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC001165244625 1383256676 /nfs/dbraw/zinc/25/66/76/1383256676.db2.gz TZJPBUKNVSKUEP-QUCCMNQESA-N 2 1 328.504 3.208 20 0 EGADMP COc1ccc2c(C)cc(N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)[nH+]c2c1 ZINC001165434268 1383296111 /nfs/dbraw/zinc/29/61/11/1383296111.db2.gz QVYRVFARYXBHKO-BBRMVZONSA-N 2 1 329.419 3.065 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001165472548 1383299982 /nfs/dbraw/zinc/29/99/82/1383299982.db2.gz MRCQHIIOZZXTSI-VOFKWLDRSA-N 2 1 349.563 3.197 20 0 EGADMP CC[C@H](C)C[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165472235 1383300363 /nfs/dbraw/zinc/30/03/63/1383300363.db2.gz IFMIKFZOOQZLNJ-ROUUACIJSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)=CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165484745 1383300910 /nfs/dbraw/zinc/30/09/10/1383300910.db2.gz IGQAZFQZOPZVPK-LJQANCHMSA-N 2 1 347.547 3.236 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+]Cc2cccc(C)c2)CC1 ZINC001165809399 1383348888 /nfs/dbraw/zinc/34/88/88/1383348888.db2.gz BSLWSFGRCMZWII-UHFFFAOYSA-N 2 1 345.531 3.101 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001167225396 1383570306 /nfs/dbraw/zinc/57/03/06/1383570306.db2.gz UEEIRHWRQHMOJO-QZTJIDSGSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001167236066 1383571637 /nfs/dbraw/zinc/57/16/37/1383571637.db2.gz GWWBGDYRTMOFGC-PKOBYXMFSA-N 2 1 349.563 3.031 20 0 EGADMP CC(C)CCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001167240587 1383573491 /nfs/dbraw/zinc/57/34/91/1383573491.db2.gz OQJCNLZSKXOXBU-UHFFFAOYSA-N 2 1 339.568 3.277 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167426009 1383630654 /nfs/dbraw/zinc/63/06/54/1383630654.db2.gz NMDVHDGNCFGHBY-YQHFQFMOSA-N 2 1 347.547 3.236 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC001167475629 1383644710 /nfs/dbraw/zinc/64/47/10/1383644710.db2.gz HLRHCBBCLUYMBL-OAHLLOKOSA-N 2 1 346.450 3.003 20 0 EGADMP C[N@@H+](CCc1ccccc1Br)C[C@@H]1CCC[NH+](C)C1 ZINC001167477105 1383645730 /nfs/dbraw/zinc/64/57/30/1383645730.db2.gz AWMRARDGERHOBJ-CQSZACIVSA-N 2 1 325.294 3.265 20 0 EGADMP C[NH+](CCc1ccccc1Br)C[C@@H]1CCC[N@H+](C)C1 ZINC001167477105 1383645732 /nfs/dbraw/zinc/64/57/32/1383645732.db2.gz AWMRARDGERHOBJ-CQSZACIVSA-N 2 1 325.294 3.265 20 0 EGADMP C[NH+](CCc1ccccc1Br)C[C@@H]1CCC[N@@H+](C)C1 ZINC001167477105 1383645737 /nfs/dbraw/zinc/64/57/37/1383645737.db2.gz AWMRARDGERHOBJ-CQSZACIVSA-N 2 1 325.294 3.265 20 0 EGADMP C[C@@H]1CN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001167575757 1383675085 /nfs/dbraw/zinc/67/50/85/1383675085.db2.gz HRIBUAKISZNCFW-COPCDDAFSA-N 2 1 336.479 3.316 20 0 EGADMP C[C@@H]1CN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001167575757 1383675090 /nfs/dbraw/zinc/67/50/90/1383675090.db2.gz HRIBUAKISZNCFW-COPCDDAFSA-N 2 1 336.479 3.316 20 0 EGADMP CCC/C=C/CC[NH2+]CCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001167588278 1383681944 /nfs/dbraw/zinc/68/19/44/1383681944.db2.gz JEELUWFOSJEZNL-VOTSOKGWSA-N 2 1 334.508 3.239 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]C/C=C/c1ccccc1 ZINC001167626430 1383692739 /nfs/dbraw/zinc/69/27/39/1383692739.db2.gz AIXIWNXQLFXEJL-GPVYEGESSA-N 2 1 343.515 3.059 20 0 EGADMP CCc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001167636324 1383694754 /nfs/dbraw/zinc/69/47/54/1383694754.db2.gz SFYHNZZNXGIJQD-HXUWFJFHSA-N 2 1 345.531 3.108 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC001167685230 1383710431 /nfs/dbraw/zinc/71/04/31/1383710431.db2.gz IWFMGEJECDTSGM-XOKHGSTOSA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC001167685230 1383710436 /nfs/dbraw/zinc/71/04/36/1383710436.db2.gz IWFMGEJECDTSGM-XOKHGSTOSA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC001167685230 1383710441 /nfs/dbraw/zinc/71/04/41/1383710441.db2.gz IWFMGEJECDTSGM-XOKHGSTOSA-N 2 1 344.421 3.401 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCC1(C[NH2+]CC(C)C)CC1)c1ccccc1 ZINC001167711438 1383719863 /nfs/dbraw/zinc/71/98/63/1383719863.db2.gz XYOCVUSGCQQDNI-LJQANCHMSA-N 2 1 345.531 3.212 20 0 EGADMP CCCC[NH+](CCCC)CCNc1cc(-n2cc[nH+]c2C)ncn1 ZINC001167732963 1383725338 /nfs/dbraw/zinc/72/53/38/1383725338.db2.gz KPWRKEJQTNUYFH-UHFFFAOYSA-N 2 1 330.480 3.285 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001167812266 1383746032 /nfs/dbraw/zinc/74/60/32/1383746032.db2.gz KCPDZUODXMEIRE-CEXWTWQISA-N 2 1 349.563 3.031 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](Oc2nccc(C)n2)C1 ZINC001167836425 1383754701 /nfs/dbraw/zinc/75/47/01/1383754701.db2.gz ZWIUWMXPCZSJHF-ROUUACIJSA-N 2 1 334.508 3.139 20 0 EGADMP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001167916338 1383769466 /nfs/dbraw/zinc/76/94/66/1383769466.db2.gz NROIDJDTUIBVJN-FNEOHHHZSA-N 2 1 347.547 3.095 20 0 EGADMP CN(Cc1ccco1)Cc1cncc2c1CC[N@H+]([C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167940298 1383773004 /nfs/dbraw/zinc/77/30/04/1383773004.db2.gz LIFUQSPGWGCMCS-HGKCTWBKSA-N 2 1 337.467 3.463 20 0 EGADMP COc1cc2c(cc1C)C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167969013 1383782805 /nfs/dbraw/zinc/78/28/05/1383782805.db2.gz YCURNQIMLWQKCK-WVVQBRDUSA-N 2 1 340.511 3.466 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCCNC(=O)[C@@H](C)Cc2cnc[nH]2)cc1 ZINC001167976680 1383783988 /nfs/dbraw/zinc/78/39/88/1383783988.db2.gz CYZUNCAZMKCXMR-INIZCTEOSA-N 2 1 342.487 3.008 20 0 EGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC[NH+](CC2CCC2)CC1 ZINC001167975632 1383784564 /nfs/dbraw/zinc/78/45/64/1383784564.db2.gz SQHOTWUXIJAIEP-FRIKZZABSA-N 3 1 345.575 3.494 20 0 EGADMP CC(C)(C)OC(=O)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167981784 1383786841 /nfs/dbraw/zinc/78/68/41/1383786841.db2.gz JZCFBYZNMUYYIM-ALOPSCKCSA-N 2 1 334.504 3.103 20 0 EGADMP CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168003008 1383793007 /nfs/dbraw/zinc/79/30/07/1383793007.db2.gz HMPDARCWXMRJJF-IXJHQVLRSA-N 2 1 346.515 3.055 20 0 EGADMP CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168003008 1383793010 /nfs/dbraw/zinc/79/30/10/1383793010.db2.gz HMPDARCWXMRJJF-IXJHQVLRSA-N 2 1 346.515 3.055 20 0 EGADMP CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168003008 1383793012 /nfs/dbraw/zinc/79/30/12/1383793012.db2.gz HMPDARCWXMRJJF-IXJHQVLRSA-N 2 1 346.515 3.055 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccco2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168008222 1383795116 /nfs/dbraw/zinc/79/51/16/1383795116.db2.gz WQKXHPNSVASNMM-UKBAYJJMSA-N 2 1 328.456 3.344 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccco2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008222 1383795119 /nfs/dbraw/zinc/79/51/19/1383795119.db2.gz WQKXHPNSVASNMM-UKBAYJJMSA-N 2 1 328.456 3.344 20 0 EGADMP CSCC[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012181 1383796517 /nfs/dbraw/zinc/79/65/17/1383796517.db2.gz XNSVBVADGDVFOC-NBMJBFSESA-N 2 1 336.545 3.132 20 0 EGADMP C[C@H]1CC([NH2+]C2(C(N)=O)CCCCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168011762 1383796682 /nfs/dbraw/zinc/79/66/82/1383796682.db2.gz SBMGODIBPDVNBV-IRXDYDNUSA-N 2 1 343.515 3.206 20 0 EGADMP CCOC(=O)[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168029673 1383800066 /nfs/dbraw/zinc/80/00/66/1383800066.db2.gz UMLPZAWVPKLRTD-VXIBKDFQSA-N 2 1 332.488 3.217 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCc2nncs2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168036853 1383801433 /nfs/dbraw/zinc/80/14/33/1383801433.db2.gz VXMNTDOSSLKKPQ-SCAQPMJSSA-N 2 1 330.501 3.112 20 0 EGADMP C[C@@H]1CC([N@H+]2C[C@@H]3CCN(C)[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065507 1383808353 /nfs/dbraw/zinc/80/83/53/1383808353.db2.gz XBIHDERHJMHLTD-PLOVASNDSA-N 2 1 327.516 3.064 20 0 EGADMP C[C@H]1C[C@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CCO1 ZINC001168092104 1383814433 /nfs/dbraw/zinc/81/44/33/1383814433.db2.gz PICQBFVTYARIKG-HLCUEJKCSA-N 2 1 334.463 3.130 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)CC1 ZINC001168321460 1383872692 /nfs/dbraw/zinc/87/26/92/1383872692.db2.gz HONCHYUDJWTHSA-RJYAGPCLSA-N 2 1 347.528 3.050 20 0 EGADMP COc1ccccc1[C@@H](O)C[N@@H+](C(C)C)C1CCC([NH+](C)C)CC1 ZINC001168327877 1383874179 /nfs/dbraw/zinc/87/41/79/1383874179.db2.gz RTKHXXDAJCXBOH-TVPLGVNVSA-N 2 1 334.504 3.312 20 0 EGADMP C[NH+](C)C1CCC([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001168328187 1383874272 /nfs/dbraw/zinc/87/42/72/1383874272.db2.gz YXBFAWSJZHJMGF-UHFFFAOYSA-N 3 1 341.543 3.382 20 0 EGADMP C[NH+](C)C1CCC([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001168328187 1383874275 /nfs/dbraw/zinc/87/42/75/1383874275.db2.gz YXBFAWSJZHJMGF-UHFFFAOYSA-N 3 1 341.543 3.382 20 0 EGADMP C[NH+](C)C1CCC([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001168327573 1383874407 /nfs/dbraw/zinc/87/44/07/1383874407.db2.gz OWIQSJUTDVZMGA-MWXLCCTBSA-N 3 1 329.532 3.313 20 0 EGADMP C[NH+](C)C1CCC([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001168327573 1383874410 /nfs/dbraw/zinc/87/44/10/1383874410.db2.gz OWIQSJUTDVZMGA-MWXLCCTBSA-N 3 1 329.532 3.313 20 0 EGADMP C[NH+](C)C1CCC([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001168327573 1383874414 /nfs/dbraw/zinc/87/44/14/1383874414.db2.gz OWIQSJUTDVZMGA-MWXLCCTBSA-N 3 1 329.532 3.313 20 0 EGADMP C[NH+](C)C1CCC([N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001168327573 1383874416 /nfs/dbraw/zinc/87/44/16/1383874416.db2.gz OWIQSJUTDVZMGA-MWXLCCTBSA-N 2 1 329.532 3.313 20 0 EGADMP C[NH+](C)C1CCC([N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001168327573 1383874420 /nfs/dbraw/zinc/87/44/20/1383874420.db2.gz OWIQSJUTDVZMGA-MWXLCCTBSA-N 2 1 329.532 3.313 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001168335833 1383876967 /nfs/dbraw/zinc/87/69/67/1383876967.db2.gz VVWZWKIUOLJVEN-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168365844 1383884254 /nfs/dbraw/zinc/88/42/54/1383884254.db2.gz YAKYTXDIIWTGOO-MXVIHJGJSA-N 3 1 342.531 3.028 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccnc2)C2CCN(CC3CC3)CC2)CC1 ZINC001168365844 1383884258 /nfs/dbraw/zinc/88/42/58/1383884258.db2.gz YAKYTXDIIWTGOO-MXVIHJGJSA-N 2 1 342.531 3.028 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)C2CCN(CC3CC3)CC2)CC1 ZINC001168365844 1383884262 /nfs/dbraw/zinc/88/42/62/1383884262.db2.gz YAKYTXDIIWTGOO-MXVIHJGJSA-N 2 1 342.531 3.028 20 0 EGADMP OC1(c2ccc(Cl)cc2)CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168370865 1383886859 /nfs/dbraw/zinc/88/68/59/1383886859.db2.gz GTUIJQLABRVNDO-UHFFFAOYSA-N 2 1 348.918 3.498 20 0 EGADMP c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH+](CC3CC3)CC2)c1 ZINC001168379333 1383889963 /nfs/dbraw/zinc/88/99/63/1383889963.db2.gz HXYTYZMSBYUVBB-KDURUIRLSA-N 2 1 345.556 3.271 20 0 EGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001168387787 1383891707 /nfs/dbraw/zinc/89/17/07/1383891707.db2.gz UJSFIKQKPPEGAV-OAQYLSRUSA-N 2 1 341.543 3.315 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CC[NH+]1C1CCCC1 ZINC001306525645 1383894389 /nfs/dbraw/zinc/89/43/89/1383894389.db2.gz YVNBTBNZQLCOKI-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCCCC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001306525645 1383894391 /nfs/dbraw/zinc/89/43/91/1383894391.db2.gz YVNBTBNZQLCOKI-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCCCC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001306525645 1383894393 /nfs/dbraw/zinc/89/43/93/1383894393.db2.gz YVNBTBNZQLCOKI-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP [NH3+]C1(c2cccnc2)CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168415677 1383900455 /nfs/dbraw/zinc/90/04/55/1383900455.db2.gz ROQNRYGBALTZJA-LJQANCHMSA-N 2 1 325.431 3.028 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1csc(C)c1 ZINC001168607599 1383946989 /nfs/dbraw/zinc/94/69/89/1383946989.db2.gz XMHQKIITSQIMQT-UHFFFAOYSA-N 2 1 339.549 3.165 20 0 EGADMP COC(=O)C1(C)CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001168751456 1383993197 /nfs/dbraw/zinc/99/31/97/1383993197.db2.gz XOIRKJGNRGRLGO-LWEYNCJUSA-N 2 1 344.499 3.220 20 0 EGADMP CC(C)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H](O)C[NH+](C)C(C)C ZINC001307956868 1384062818 /nfs/dbraw/zinc/06/28/18/1384062818.db2.gz AMMGAVPYHLNBJM-SFHVURJKSA-N 2 1 326.912 3.499 20 0 EGADMP CC(C)C[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)C[NH+](C)C(C)C ZINC001307956868 1384062824 /nfs/dbraw/zinc/06/28/24/1384062824.db2.gz AMMGAVPYHLNBJM-SFHVURJKSA-N 2 1 326.912 3.499 20 0 EGADMP CC(C)C[NH+](Cc1cccc(Cl)c1)C[C@@H](O)C[N@H+](C)C(C)C ZINC001307956868 1384062830 /nfs/dbraw/zinc/06/28/30/1384062830.db2.gz AMMGAVPYHLNBJM-SFHVURJKSA-N 2 1 326.912 3.499 20 0 EGADMP CC(C)C[NH+](Cc1cccc(Cl)c1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC001307956868 1384062834 /nfs/dbraw/zinc/06/28/34/1384062834.db2.gz AMMGAVPYHLNBJM-SFHVURJKSA-N 2 1 326.912 3.499 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccccc3F)CCOCC1)C2 ZINC001169116894 1384109052 /nfs/dbraw/zinc/10/90/52/1384109052.db2.gz SPMOISUMKZAYMF-REPLKXPHSA-N 2 1 346.490 3.380 20 0 EGADMP COc1cccc(CC2([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCOCC2)c1 ZINC001169117360 1384109237 /nfs/dbraw/zinc/10/92/37/1384109237.db2.gz ZBUPUVZUSXVGSY-REPLKXPHSA-N 2 1 344.499 3.002 20 0 EGADMP COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147020 1384115005 /nfs/dbraw/zinc/11/50/05/1384115005.db2.gz RFTBNWCSMDXUTH-OQIJWPOYSA-N 2 1 332.488 3.157 20 0 EGADMP COC[C@@H](C)[NH+](Cc1cccc(OC)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169147020 1384115009 /nfs/dbraw/zinc/11/50/09/1384115009.db2.gz RFTBNWCSMDXUTH-OQIJWPOYSA-N 2 1 332.488 3.157 20 0 EGADMP COC[C@@H](C)[NH+](Cc1cccc(OC)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147020 1384115011 /nfs/dbraw/zinc/11/50/11/1384115011.db2.gz RFTBNWCSMDXUTH-OQIJWPOYSA-N 2 1 332.488 3.157 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](CCO)Cc1ccc(Cl)c(Cl)c1)C2 ZINC001169152200 1384115485 /nfs/dbraw/zinc/11/54/85/1384115485.db2.gz AJXODFGUFJPICX-QDMKHBRRSA-N 2 1 343.298 3.413 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](CCO)Cc1ccc(Cl)c(Cl)c1)C2 ZINC001169152200 1384115486 /nfs/dbraw/zinc/11/54/86/1384115486.db2.gz AJXODFGUFJPICX-QDMKHBRRSA-N 2 1 343.298 3.413 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](CCO)Cc1ccc(Cl)c(Cl)c1)C2 ZINC001169152200 1384115487 /nfs/dbraw/zinc/11/54/87/1384115487.db2.gz AJXODFGUFJPICX-QDMKHBRRSA-N 2 1 343.298 3.413 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1)C2 ZINC001169152200 1384115488 /nfs/dbraw/zinc/11/54/88/1384115488.db2.gz AJXODFGUFJPICX-QDMKHBRRSA-N 2 1 343.298 3.413 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001308293340 1384116849 /nfs/dbraw/zinc/11/68/49/1384116849.db2.gz SNTCVXZRIRWEIN-JKSUJKDBSA-N 2 1 336.549 3.404 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N(Cc1ccc(F)cc1)C1CC[NH+](C)CC1)C2 ZINC001169162498 1384117627 /nfs/dbraw/zinc/11/76/27/1384117627.db2.gz UCZWBGUJELTHEV-WKCHPHFGSA-N 2 1 345.506 3.347 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(-n2ncc3c2cccc3C[NH3+])nc1 ZINC001169191485 1384121265 /nfs/dbraw/zinc/12/12/65/1384121265.db2.gz GPOUWNIIUQWRQW-HNNXBMFYSA-N 2 1 335.455 3.254 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC001169219440 1384124086 /nfs/dbraw/zinc/12/40/86/1384124086.db2.gz BCBPVYGWFQTBKH-NVXWUHKLSA-N 2 1 339.524 3.096 20 0 EGADMP Cc1cc(C)c2[nH+]c(NCc3ncn4c3C[NH2+]CCC4)cc(C)c2c1 ZINC001169240931 1384126462 /nfs/dbraw/zinc/12/64/62/1384126462.db2.gz PKPAVXAPTQKOGC-UHFFFAOYSA-N 2 1 335.455 3.462 20 0 EGADMP CC[NH+]1CCC([N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC001169247035 1384127249 /nfs/dbraw/zinc/12/72/49/1384127249.db2.gz WUHMRTFIXPAFKP-JKSUJKDBSA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+]1CCC([N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC001169247035 1384127250 /nfs/dbraw/zinc/12/72/50/1384127250.db2.gz WUHMRTFIXPAFKP-JKSUJKDBSA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+]1CCC([N@@H+]2CCCC[C@@H]2[C@H](C(=O)OC)c2ccccc2)CC1 ZINC001169261164 1384128993 /nfs/dbraw/zinc/12/89/93/1384128993.db2.gz BGCPVWOMWXJIFT-WOJBJXKFSA-N 2 1 344.499 3.282 20 0 EGADMP CC[NH+]1CCC([N@H+]2CCCC[C@@H]2[C@H](C(=O)OC)c2ccccc2)CC1 ZINC001169261164 1384128994 /nfs/dbraw/zinc/12/89/94/1384128994.db2.gz BGCPVWOMWXJIFT-WOJBJXKFSA-N 2 1 344.499 3.282 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169274349 1384130709 /nfs/dbraw/zinc/13/07/09/1384130709.db2.gz GDCZIFMLXFQUPI-IVMQYODDSA-N 2 1 330.472 3.086 20 0 EGADMP Cc1cc(N[C@H]2CCC[N@@H+](C)C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001308685130 1384142134 /nfs/dbraw/zinc/14/21/34/1384142134.db2.gz KUQLTVCONFQRLB-SFHVURJKSA-N 2 1 330.520 3.032 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CN[C@@H]2CC[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001308740346 1384146171 /nfs/dbraw/zinc/14/61/71/1384146171.db2.gz IPAQCSYHRISJSU-CEWLAPEOSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CC[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001308740346 1384146174 /nfs/dbraw/zinc/14/61/74/1384146174.db2.gz IPAQCSYHRISJSU-CEWLAPEOSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CC[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001308740346 1384146178 /nfs/dbraw/zinc/14/61/78/1384146178.db2.gz IPAQCSYHRISJSU-CEWLAPEOSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C)N(Cc3ccccc3)C2)C1 ZINC001308740346 1384146182 /nfs/dbraw/zinc/14/61/82/1384146182.db2.gz IPAQCSYHRISJSU-CEWLAPEOSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C)N(Cc3ccccc3)C2)C1 ZINC001308740346 1384146187 /nfs/dbraw/zinc/14/61/87/1384146187.db2.gz IPAQCSYHRISJSU-CEWLAPEOSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CN[C@H]2CC[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001308740349 1384146238 /nfs/dbraw/zinc/14/62/38/1384146238.db2.gz IPAQCSYHRISJSU-TYPHKJRUSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@H]2CC[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001308740349 1384146240 /nfs/dbraw/zinc/14/62/40/1384146240.db2.gz IPAQCSYHRISJSU-TYPHKJRUSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@H]2CC[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001308740349 1384146241 /nfs/dbraw/zinc/14/62/41/1384146241.db2.gz IPAQCSYHRISJSU-TYPHKJRUSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](C)N(Cc3ccccc3)C2)C1 ZINC001308740349 1384146242 /nfs/dbraw/zinc/14/62/42/1384146242.db2.gz IPAQCSYHRISJSU-TYPHKJRUSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](C)N(Cc3ccccc3)C2)C1 ZINC001308740349 1384146243 /nfs/dbraw/zinc/14/62/43/1384146243.db2.gz IPAQCSYHRISJSU-TYPHKJRUSA-N 2 1 329.532 3.359 20 0 EGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)C(=O)OCC)C1 ZINC001308802583 1384151000 /nfs/dbraw/zinc/15/10/00/1384151000.db2.gz UXUOBUNIAPJQLT-HRCADAONSA-N 2 1 348.478 3.454 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)C(=O)OCC)C1 ZINC001308802583 1384151002 /nfs/dbraw/zinc/15/10/02/1384151002.db2.gz UXUOBUNIAPJQLT-HRCADAONSA-N 2 1 348.478 3.454 20 0 EGADMP CC1(C)CCCN(c2cc[nH+]c(NCC34CC[NH+](CC3)CC4)n2)C1 ZINC001169795325 1384187207 /nfs/dbraw/zinc/18/72/07/1384187207.db2.gz OIXRXLUDXMARGQ-UHFFFAOYSA-N 2 1 329.492 3.001 20 0 EGADMP C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)C1 ZINC001170137809 1384245274 /nfs/dbraw/zinc/24/52/74/1384245274.db2.gz OUMWPOYQCCPGOF-YZGWKJHDSA-N 2 1 343.515 3.326 20 0 EGADMP C[C@H](Cc1ccccc1Cl)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001170272441 1384279309 /nfs/dbraw/zinc/27/93/09/1384279309.db2.gz HXWGASBRLOGDMX-CQSZACIVSA-N 2 1 335.879 3.401 20 0 EGADMP CNc1cc[nH+]c(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)n1 ZINC001170644184 1384355549 /nfs/dbraw/zinc/35/55/49/1384355549.db2.gz FOJKJMFOMXLLFY-ZGUYJTEBSA-N 2 1 337.471 3.151 20 0 EGADMP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001170751740 1384378811 /nfs/dbraw/zinc/37/88/11/1384378811.db2.gz UYXXZOVPTFSXJC-OXUXSNCKSA-N 2 1 337.552 3.480 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CCCOCC3)C[C@@H]21 ZINC001170823462 1384392379 /nfs/dbraw/zinc/39/23/79/1384392379.db2.gz UUKBACQQSWTSPK-AYWYSENESA-N 2 1 343.515 3.183 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CCCOCC3)C[C@@H]21 ZINC001170823462 1384392384 /nfs/dbraw/zinc/39/23/84/1384392384.db2.gz UUKBACQQSWTSPK-AYWYSENESA-N 2 1 343.515 3.183 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCCOCC3)C[C@@H]21 ZINC001170823462 1384392388 /nfs/dbraw/zinc/39/23/88/1384392388.db2.gz UUKBACQQSWTSPK-AYWYSENESA-N 2 1 343.515 3.183 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCCOCC3)C[C@@H]21 ZINC001170823462 1384392394 /nfs/dbraw/zinc/39/23/94/1384392394.db2.gz UUKBACQQSWTSPK-AYWYSENESA-N 2 1 343.515 3.183 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001170878334 1384403334 /nfs/dbraw/zinc/40/33/34/1384403334.db2.gz NNRZGQNKLAAVTH-IRXDYDNUSA-N 2 1 348.535 3.461 20 0 EGADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]2C1 ZINC001171085345 1384443224 /nfs/dbraw/zinc/44/32/24/1384443224.db2.gz HCQPSRXVZAJLQQ-VNHYZAJKSA-N 2 1 325.283 3.344 20 0 EGADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]2C1 ZINC001171085345 1384443225 /nfs/dbraw/zinc/44/32/25/1384443225.db2.gz HCQPSRXVZAJLQQ-VNHYZAJKSA-N 2 1 325.283 3.344 20 0 EGADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]2C1 ZINC001171085345 1384443226 /nfs/dbraw/zinc/44/32/26/1384443226.db2.gz HCQPSRXVZAJLQQ-VNHYZAJKSA-N 2 1 325.283 3.344 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001316601632 1384468212 /nfs/dbraw/zinc/46/82/12/1384468212.db2.gz HJWCUIAMYKVZBN-QZTJIDSGSA-N 2 1 348.535 3.221 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001316601632 1384468213 /nfs/dbraw/zinc/46/82/13/1384468213.db2.gz HJWCUIAMYKVZBN-QZTJIDSGSA-N 2 1 348.535 3.221 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001316603562 1384471481 /nfs/dbraw/zinc/47/14/81/1384471481.db2.gz QEFWDJGOIFDPCQ-XLIONFOSSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001171226665 1384473912 /nfs/dbraw/zinc/47/39/12/1384473912.db2.gz JBOHOUPBYQXSJM-ZWKOTPCHSA-N 2 1 345.531 3.309 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171253690 1384479214 /nfs/dbraw/zinc/47/92/14/1384479214.db2.gz GTMHWLRBTWUHNO-QGZVFWFLSA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4cc(F)c(F)c(F)c4C3)C[C@@H]2C1 ZINC001171546203 1384558767 /nfs/dbraw/zinc/55/87/67/1384558767.db2.gz HAXRBERYHRWLDF-ZNMIVQPWSA-N 2 1 338.417 3.235 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4cc(F)c(F)c(F)c4C3)C[C@@H]2C1 ZINC001171546203 1384558770 /nfs/dbraw/zinc/55/87/70/1384558770.db2.gz HAXRBERYHRWLDF-ZNMIVQPWSA-N 2 1 338.417 3.235 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4cc(F)c(F)c(F)c4C3)C[C@@H]2C1 ZINC001171546203 1384558772 /nfs/dbraw/zinc/55/87/72/1384558772.db2.gz HAXRBERYHRWLDF-ZNMIVQPWSA-N 2 1 338.417 3.235 20 0 EGADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCc4cc(F)c(F)c(F)c4C3)C2)CC1 ZINC001171544748 1384558969 /nfs/dbraw/zinc/55/89/69/1384558969.db2.gz ZGSVXTZUIIUTJT-AWEZNQCLSA-N 2 1 338.417 3.379 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001171646019 1384591016 /nfs/dbraw/zinc/59/10/16/1384591016.db2.gz HBJDTXVUWRBYLP-HKUYNNGSSA-N 2 1 337.552 3.172 20 0 EGADMP C[C@@H]1C[C@H](N(C(N)=[NH2+])c2ccccc2F)C[N@H+]1Cc1ccccc1 ZINC001171730418 1384617209 /nfs/dbraw/zinc/61/72/09/1384617209.db2.gz YQMQOYZTDNCEFS-ZBFHGGJFSA-N 2 1 326.419 3.189 20 0 EGADMP CC[C@@H]1C[C@H]([NH2+]C(C)(C)C[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171814693 1384647977 /nfs/dbraw/zinc/64/79/77/1384647977.db2.gz WBTLIOZUEOYUNI-QDMKHBRRSA-N 2 1 327.513 3.270 20 0 EGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171825568 1384652340 /nfs/dbraw/zinc/65/23/40/1384652340.db2.gz FXNBMPRHOLMTEQ-QGZVFWFLSA-N 2 1 348.535 3.217 20 0 EGADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171828684 1384652766 /nfs/dbraw/zinc/65/27/66/1384652766.db2.gz MDMJJZAXLKAHNC-INIZCTEOSA-N 2 1 339.524 3.369 20 0 EGADMP Cc1ncn([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1CC[NH3+] ZINC001171970070 1384698372 /nfs/dbraw/zinc/69/83/72/1384698372.db2.gz YCIWPNDNHHEJEZ-GOSISDBHSA-N 3 1 326.488 3.308 20 0 EGADMP CN(C)C(=O)C1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC001171980211 1384701580 /nfs/dbraw/zinc/70/15/80/1384701580.db2.gz SXNJHOOMVRSUBX-SFHVURJKSA-N 2 1 343.515 3.030 20 0 EGADMP CN(C)C(=O)C1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC001171980211 1384701585 /nfs/dbraw/zinc/70/15/85/1384701585.db2.gz SXNJHOOMVRSUBX-SFHVURJKSA-N 2 1 343.515 3.030 20 0 EGADMP CC1(C)C[C@H]([NH2+]Cc2ccc[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC001171984600 1384704254 /nfs/dbraw/zinc/70/42/54/1384704254.db2.gz WKILQUCCFRPGOT-GOSISDBHSA-N 2 1 325.456 3.320 20 0 EGADMP CC1(C)C[C@H]([NH2+]Cc2ccc[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC001171984600 1384704258 /nfs/dbraw/zinc/70/42/58/1384704258.db2.gz WKILQUCCFRPGOT-GOSISDBHSA-N 2 1 325.456 3.320 20 0 EGADMP OCC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC001172062692 1384715164 /nfs/dbraw/zinc/71/51/64/1384715164.db2.gz QQTINUSMNQUZOH-OWZKRDHZSA-N 2 1 328.500 3.324 20 0 EGADMP COC(=O)[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065406 1384716778 /nfs/dbraw/zinc/71/67/78/1384716778.db2.gz MMJICSWAEGLMMS-DHUDUYKCSA-N 2 1 342.483 3.113 20 0 EGADMP CCN(CC[NH+](C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076575 1384720035 /nfs/dbraw/zinc/72/00/35/1384720035.db2.gz GBEKURMUIKDBSF-WKCHPHFGSA-N 2 1 329.532 3.456 20 0 EGADMP O=c1[nH]cccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075817 1384720890 /nfs/dbraw/zinc/72/08/90/1384720890.db2.gz FUKVHZPYSKKUFW-ACDBMABISA-N 2 1 337.467 3.463 20 0 EGADMP O=c1[nH]cccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075817 1384720892 /nfs/dbraw/zinc/72/08/92/1384720892.db2.gz FUKVHZPYSKKUFW-ACDBMABISA-N 2 1 337.467 3.463 20 0 EGADMP OC[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172080361 1384722226 /nfs/dbraw/zinc/72/22/26/1384722226.db2.gz ULWWQFNJKRUUFH-MXEMCNAFSA-N 2 1 328.500 3.276 20 0 EGADMP OC[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172080361 1384722228 /nfs/dbraw/zinc/72/22/28/1384722228.db2.gz ULWWQFNJKRUUFH-MXEMCNAFSA-N 2 1 328.500 3.276 20 0 EGADMP OC[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172080361 1384722234 /nfs/dbraw/zinc/72/22/34/1384722234.db2.gz ULWWQFNJKRUUFH-MXEMCNAFSA-N 2 1 328.500 3.276 20 0 EGADMP OC[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172080361 1384722237 /nfs/dbraw/zinc/72/22/37/1384722237.db2.gz ULWWQFNJKRUUFH-MXEMCNAFSA-N 2 1 328.500 3.276 20 0 EGADMP C[NH+](C)CCC[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172089918 1384724696 /nfs/dbraw/zinc/72/46/96/1384724696.db2.gz KRJRNEJPUKQYKE-BJWYYQGGSA-N 2 1 339.524 3.191 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1)C2 ZINC001172106567 1384728581 /nfs/dbraw/zinc/72/85/81/1384728581.db2.gz QENXXDFVAHHDKW-YYIAUSFCSA-N 2 1 342.405 3.344 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCC1CCN(C(=O)C(C)(C)C)CC1)C2 ZINC001172105947 1384728720 /nfs/dbraw/zinc/72/87/20/1384728720.db2.gz LMHWJXBCWNAGGC-REPLKXPHSA-N 2 1 349.563 3.266 20 0 EGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109887 1384729033 /nfs/dbraw/zinc/72/90/33/1384729033.db2.gz GMQHDAOUYHAGTC-JAHJHUCASA-N 2 1 342.531 3.169 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109887 1384729035 /nfs/dbraw/zinc/72/90/35/1384729035.db2.gz GMQHDAOUYHAGTC-JAHJHUCASA-N 3 1 342.531 3.169 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109887 1384729037 /nfs/dbraw/zinc/72/90/37/1384729037.db2.gz GMQHDAOUYHAGTC-JAHJHUCASA-N 3 1 342.531 3.169 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109887 1384729039 /nfs/dbraw/zinc/72/90/39/1384729039.db2.gz GMQHDAOUYHAGTC-JAHJHUCASA-N 3 1 342.531 3.169 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109887 1384729041 /nfs/dbraw/zinc/72/90/41/1384729041.db2.gz GMQHDAOUYHAGTC-JAHJHUCASA-N 3 1 342.531 3.169 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)C2 ZINC001172112100 1384729592 /nfs/dbraw/zinc/72/95/92/1384729592.db2.gz TTYJOFAPGHHHQI-JJTUDDRGSA-N 2 1 337.508 3.037 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)C2 ZINC001172112100 1384729595 /nfs/dbraw/zinc/72/95/95/1384729595.db2.gz TTYJOFAPGHHHQI-JJTUDDRGSA-N 2 1 337.508 3.037 20 0 EGADMP CC(C)CCNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112724 1384730492 /nfs/dbraw/zinc/73/04/92/1384730492.db2.gz ZAGITTGKHOZYSQ-OKYOBFRVSA-N 2 1 337.552 3.168 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1CC[NH+](C[C@H]3CC=CCC3)CC1)C2 ZINC001172113569 1384730566 /nfs/dbraw/zinc/73/05/66/1384730566.db2.gz KMWUYYYXDKJPTP-WJMWBRGCSA-N 2 1 331.548 3.412 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115346 1384730731 /nfs/dbraw/zinc/73/07/31/1384730731.db2.gz WKCVKNZUTKOJOF-RQXATKFSSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115346 1384730741 /nfs/dbraw/zinc/73/07/41/1384730741.db2.gz WKCVKNZUTKOJOF-RQXATKFSSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115346 1384730746 /nfs/dbraw/zinc/73/07/46/1384730746.db2.gz WKCVKNZUTKOJOF-RQXATKFSSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115346 1384730753 /nfs/dbraw/zinc/73/07/53/1384730753.db2.gz WKCVKNZUTKOJOF-RQXATKFSSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115346 1384730755 /nfs/dbraw/zinc/73/07/55/1384730755.db2.gz WKCVKNZUTKOJOF-RQXATKFSSA-N 2 1 327.516 3.112 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(N3CCCCC3=O)c1)C2 ZINC001172112577 1384731109 /nfs/dbraw/zinc/73/11/09/1384731109.db2.gz XXZDNIWVJKITCG-LDLYASANSA-N 2 1 341.499 3.308 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(N3CCCCC3=O)c1)C2 ZINC001172112577 1384731115 /nfs/dbraw/zinc/73/11/15/1384731115.db2.gz XXZDNIWVJKITCG-LDLYASANSA-N 2 1 341.499 3.308 20 0 EGADMP COc1ccc2c(c1)SC[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172114760 1384731494 /nfs/dbraw/zinc/73/14/94/1384731494.db2.gz SVQAEWRPFRCCKP-LUKYLMHMSA-N 2 1 332.513 3.317 20 0 EGADMP COc1ccc2c(c1)SC[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172114760 1384731498 /nfs/dbraw/zinc/73/14/98/1384731498.db2.gz SVQAEWRPFRCCKP-LUKYLMHMSA-N 2 1 332.513 3.317 20 0 EGADMP CC(C)[C@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)NC(=O)OC(C)(C)C ZINC001172118485 1384732307 /nfs/dbraw/zinc/73/23/07/1384732307.db2.gz QXHFSNFEUQTGNY-NXOAAHMSSA-N 2 1 339.524 3.141 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(O)(c3ccc(F)cc3)CC1)C2 ZINC001172120158 1384732319 /nfs/dbraw/zinc/73/23/19/1384732319.db2.gz DJMNPCFMGVAIFE-REPLKXPHSA-N 2 1 332.463 3.124 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(O)(c3ccc(F)cc3)CC1)C2 ZINC001172120158 1384732323 /nfs/dbraw/zinc/73/23/23/1384732323.db2.gz DJMNPCFMGVAIFE-REPLKXPHSA-N 2 1 332.463 3.124 20 0 EGADMP COC(=O)c1ccc2c(c1)c(C[NH3+])cn2[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172116285 1384733660 /nfs/dbraw/zinc/73/36/60/1384733660.db2.gz GQWCOAOEYDNYRM-FVQHAEBGSA-N 2 1 341.455 3.074 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[NH+](C3(c4ccccc4)CC3)CC1)C2 ZINC001172122357 1384734011 /nfs/dbraw/zinc/73/40/11/1384734011.db2.gz AEUDDIWPRZYRIZ-AERCQKQUSA-N 2 1 339.527 3.309 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](Oc3cc(F)ccc3F)C1)C2 ZINC001172122742 1384734112 /nfs/dbraw/zinc/73/41/12/1384734112.db2.gz UAILMEHCEXHWRC-YYIAUSFCSA-N 2 1 336.426 3.433 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H](Oc3cc(F)ccc3F)C1)C2 ZINC001172122742 1384734118 /nfs/dbraw/zinc/73/41/18/1384734118.db2.gz UAILMEHCEXHWRC-YYIAUSFCSA-N 2 1 336.426 3.433 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H](Oc3cc(F)ccc3F)C1)C2 ZINC001172122742 1384734120 /nfs/dbraw/zinc/73/41/20/1384734120.db2.gz UAILMEHCEXHWRC-YYIAUSFCSA-N 2 1 336.426 3.433 20 0 EGADMP COc1ccccc1O[C@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121748 1384734343 /nfs/dbraw/zinc/73/43/43/1384734343.db2.gz LXBUEWHJIQDWHR-MHORFTMASA-N 2 1 330.472 3.164 20 0 EGADMP COc1ccccc1O[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172121748 1384734348 /nfs/dbraw/zinc/73/43/48/1384734348.db2.gz LXBUEWHJIQDWHR-MHORFTMASA-N 2 1 330.472 3.164 20 0 EGADMP COc1ccccc1O[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121748 1384734349 /nfs/dbraw/zinc/73/43/49/1384734349.db2.gz LXBUEWHJIQDWHR-MHORFTMASA-N 2 1 330.472 3.164 20 0 EGADMP CCCc1noc([C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172129151 1384737725 /nfs/dbraw/zinc/73/77/25/1384737725.db2.gz XARMCIMLPJUJOI-WCXIOVBPSA-N 2 1 332.492 3.217 20 0 EGADMP CCCc1noc([C@@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001172129151 1384737731 /nfs/dbraw/zinc/73/77/31/1384737731.db2.gz XARMCIMLPJUJOI-WCXIOVBPSA-N 2 1 332.492 3.217 20 0 EGADMP CCCc1noc([C@@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172129151 1384737735 /nfs/dbraw/zinc/73/77/35/1384737735.db2.gz XARMCIMLPJUJOI-WCXIOVBPSA-N 2 1 332.492 3.217 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccccc2OC)CC1 ZINC001172256424 1384757114 /nfs/dbraw/zinc/75/71/14/1384757114.db2.gz WAFVTILNKONOTO-LJQANCHMSA-N 2 1 332.488 3.333 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccccc2OC)CC1 ZINC001172256424 1384757117 /nfs/dbraw/zinc/75/71/17/1384757117.db2.gz WAFVTILNKONOTO-LJQANCHMSA-N 2 1 332.488 3.333 20 0 EGADMP COCCC[NH+]1CCC([NH+]2CCC(Oc3cccc(C)c3)CC2)CC1 ZINC001172252806 1384757240 /nfs/dbraw/zinc/75/72/40/1384757240.db2.gz AANJGUCQOIEWKN-UHFFFAOYSA-N 2 1 346.515 3.339 20 0 EGADMP CC1(C)C[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CO1 ZINC001172292186 1384761517 /nfs/dbraw/zinc/76/15/17/1384761517.db2.gz NZXMICCEHWBXKR-AQNXPRMDSA-N 2 1 328.500 3.398 20 0 EGADMP CC1(C)C[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CO1 ZINC001172292186 1384761520 /nfs/dbraw/zinc/76/15/20/1384761520.db2.gz NZXMICCEHWBXKR-AQNXPRMDSA-N 2 1 328.500 3.398 20 0 EGADMP CC1(C)C[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CO1 ZINC001172292186 1384761521 /nfs/dbraw/zinc/76/15/21/1384761521.db2.gz NZXMICCEHWBXKR-AQNXPRMDSA-N 2 1 328.500 3.398 20 0 EGADMP CC[C@@H](C)OCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001172313785 1384768241 /nfs/dbraw/zinc/76/82/41/1384768241.db2.gz AGDSBACKZWSSRD-ZWKOTPCHSA-N 2 1 334.504 3.202 20 0 EGADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)C[C@@H]1C ZINC001172374922 1384780048 /nfs/dbraw/zinc/78/00/48/1384780048.db2.gz QFBZLEHNQIBLJC-CXUGJCBMSA-N 2 1 334.548 3.491 20 0 EGADMP C[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)C[C@@H]1C ZINC001172374922 1384780050 /nfs/dbraw/zinc/78/00/50/1384780050.db2.gz QFBZLEHNQIBLJC-CXUGJCBMSA-N 2 1 334.548 3.491 20 0 EGADMP C[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)C[C@@H]1C ZINC001172374922 1384780054 /nfs/dbraw/zinc/78/00/54/1384780054.db2.gz QFBZLEHNQIBLJC-CXUGJCBMSA-N 2 1 334.548 3.491 20 0 EGADMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H](C)CCOC(C)C)CC2)cc1 ZINC001172440639 1384791650 /nfs/dbraw/zinc/79/16/50/1384791650.db2.gz GPLUCIASPYTBCV-SFHVURJKSA-N 2 1 348.531 3.495 20 0 EGADMP CC(C)OCC[C@@H](C)[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001172448181 1384794235 /nfs/dbraw/zinc/79/42/35/1384794235.db2.gz AEGRPQFXNLTXSK-YZGWKJHDSA-N 2 1 338.536 3.013 20 0 EGADMP CC(C)OCC[C@@H](C)[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001172448181 1384794238 /nfs/dbraw/zinc/79/42/38/1384794238.db2.gz AEGRPQFXNLTXSK-YZGWKJHDSA-N 2 1 338.536 3.013 20 0 EGADMP CC(C)OCC[C@@H](C)[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001172448181 1384794244 /nfs/dbraw/zinc/79/42/44/1384794244.db2.gz AEGRPQFXNLTXSK-YZGWKJHDSA-N 2 1 338.536 3.013 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001172599365 1384816560 /nfs/dbraw/zinc/81/65/60/1384816560.db2.gz BRMANGMNAGFRDB-UYAOXDASSA-N 2 1 344.499 3.015 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)CC1 ZINC001172783619 1384851774 /nfs/dbraw/zinc/85/17/74/1384851774.db2.gz CAAMGRCADLMKCD-IAGOWNOFSA-N 2 1 345.487 3.051 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001317100087 1384863133 /nfs/dbraw/zinc/86/31/33/1384863133.db2.gz GDOKBJJPYWNQNF-IHWFROFDSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001172952562 1384888881 /nfs/dbraw/zinc/88/88/81/1384888881.db2.gz GQPBODOBTBPTAP-DLBZAZTESA-N 2 1 341.540 3.486 20 0 EGADMP C[C@@H]1CC[C@H]([N@H+](C)CCC[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001173068333 1384906648 /nfs/dbraw/zinc/90/66/48/1384906648.db2.gz GDUVNKGXSITZDH-SJORKVTESA-N 2 1 339.524 3.192 20 0 EGADMP C[C@@H]1CC[C@H]([N@@H+](C)CCC[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC001173068333 1384906652 /nfs/dbraw/zinc/90/66/52/1384906652.db2.gz GDUVNKGXSITZDH-SJORKVTESA-N 2 1 339.524 3.192 20 0 EGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001173081960 1384909986 /nfs/dbraw/zinc/90/99/86/1384909986.db2.gz HZSOAFGNJZTYHC-DZGCQCFKSA-N 2 1 330.394 3.448 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCc3nc(C4CC4)ncc3C2)CC1 ZINC001173112579 1384917267 /nfs/dbraw/zinc/91/72/67/1384917267.db2.gz CKYLEBAYQRFGMW-UHFFFAOYSA-N 2 1 328.504 3.365 20 0 EGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCc2ncsc2C1 ZINC001173144198 1384922972 /nfs/dbraw/zinc/92/29/72/1384922972.db2.gz SMXYBOXXIZCGOZ-QZTJIDSGSA-N 2 1 341.524 3.454 20 0 EGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCc2ncsc2C1 ZINC001173144198 1384922976 /nfs/dbraw/zinc/92/29/76/1384922976.db2.gz SMXYBOXXIZCGOZ-QZTJIDSGSA-N 2 1 341.524 3.454 20 0 EGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCc2ncsc2C1 ZINC001173144198 1384922979 /nfs/dbraw/zinc/92/29/79/1384922979.db2.gz SMXYBOXXIZCGOZ-QZTJIDSGSA-N 2 1 341.524 3.454 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317170742 1384937195 /nfs/dbraw/zinc/93/71/95/1384937195.db2.gz GXNRMBUPASNECW-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CC[C@H](CC)C3)CC2)C1 ZINC001173282761 1384951684 /nfs/dbraw/zinc/95/16/84/1384951684.db2.gz QMKLIWGJJCTOSJ-YQVWRLOYSA-N 2 1 336.520 3.305 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CC[C@H](CC)C3)CC2)C1 ZINC001173282761 1384951686 /nfs/dbraw/zinc/95/16/86/1384951686.db2.gz QMKLIWGJJCTOSJ-YQVWRLOYSA-N 2 1 336.520 3.305 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001317201448 1384978060 /nfs/dbraw/zinc/97/80/60/1384978060.db2.gz AWNLSYWXYYAMMB-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001317201448 1384978061 /nfs/dbraw/zinc/97/80/61/1384978061.db2.gz AWNLSYWXYYAMMB-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317201448 1384978064 /nfs/dbraw/zinc/97/80/64/1384978064.db2.gz AWNLSYWXYYAMMB-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CCC[N@@H+](C)CCO ZINC001173547497 1384981204 /nfs/dbraw/zinc/98/12/04/1384981204.db2.gz QXSASFJLQNPEML-ZDUSSCGKSA-N 2 1 333.303 3.218 20 0 EGADMP CCOC(=O)[C@H]1CC12CCC([NH2+]CCC[N@H+]1CCCC[C@H]1C)CC2 ZINC001173605674 1384986220 /nfs/dbraw/zinc/98/62/20/1384986220.db2.gz XRVOJBFGVCWNDX-BOHSKOPMSA-N 2 1 336.520 3.353 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001173636599 1384993570 /nfs/dbraw/zinc/99/35/70/1384993570.db2.gz ZMYUPULVQLMRSB-YJBOKZPZSA-N 2 1 348.462 3.197 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@@H](N(c2[nH+]cccc2C)C2CC[NH2+]CC2)C1 ZINC001173664694 1384999570 /nfs/dbraw/zinc/99/95/70/1384999570.db2.gz NERWAZJIFCIEGE-FUHWJXTLSA-N 2 1 345.487 3.070 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[N@H+]2CCCC[C@H](CCC[NH3+])C2)cc1 ZINC001173719912 1385008493 /nfs/dbraw/zinc/00/84/93/1385008493.db2.gz JJFZGEIISHHJQW-FUHWJXTLSA-N 2 1 332.488 3.245 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001317280602 1385051463 /nfs/dbraw/zinc/05/14/63/1385051463.db2.gz SVVDXDDLWXGDFT-IAGOWNOFSA-N 2 1 341.499 3.337 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@H]2CNC(=O)C[NH+](C)C2CCC2)c1 ZINC001317500863 1385203160 /nfs/dbraw/zinc/20/31/60/1385203160.db2.gz CPUILGDWMBPUJB-PXNSSMCTSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCC[C@H]2CNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001317500863 1385203161 /nfs/dbraw/zinc/20/31/61/1385203161.db2.gz CPUILGDWMBPUJB-PXNSSMCTSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCC[C@H]2CNC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001317500863 1385203165 /nfs/dbraw/zinc/20/31/65/1385203165.db2.gz CPUILGDWMBPUJB-PXNSSMCTSA-N 2 1 343.515 3.121 20 0 EGADMP CC1CC(C[N@H+]2CCC[C@H]2CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317501384 1385203758 /nfs/dbraw/zinc/20/37/58/1385203758.db2.gz LAQCIPDHVZJSNJ-ACBHZAAOSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175257266 1385231827 /nfs/dbraw/zinc/23/18/27/1385231827.db2.gz XYNQJSOOWAODHS-ZWKOTPCHSA-N 2 1 325.541 3.172 20 0 EGADMP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175257208 1385231907 /nfs/dbraw/zinc/23/19/07/1385231907.db2.gz WUTGSVWTPJJNDY-SJORKVTESA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC001335942408 1388972259 /nfs/dbraw/zinc/97/22/59/1388972259.db2.gz PSGXWNKNCUBVRE-OAQYLSRUSA-N 2 1 326.484 3.220 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175527989 1385321246 /nfs/dbraw/zinc/32/12/46/1385321246.db2.gz ACNLHPRKZFTLPT-IAGOWNOFSA-N 2 1 336.524 3.317 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001317636399 1385367220 /nfs/dbraw/zinc/36/72/20/1385367220.db2.gz NQXZGCZJHALAJC-QFBILLFUSA-N 2 1 349.494 3.198 20 0 EGADMP CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001317766679 1385456164 /nfs/dbraw/zinc/45/61/64/1385456164.db2.gz HGODDZJJGVJFOH-MNDMWVCDSA-N 2 1 343.943 3.030 20 0 EGADMP CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001317766679 1385456166 /nfs/dbraw/zinc/45/61/66/1385456166.db2.gz HGODDZJJGVJFOH-MNDMWVCDSA-N 2 1 343.943 3.030 20 0 EGADMP CCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1CC[NH+](C/C=C/Cl)C1 ZINC001317766679 1385456170 /nfs/dbraw/zinc/45/61/70/1385456170.db2.gz HGODDZJJGVJFOH-MNDMWVCDSA-N 2 1 343.943 3.030 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1CC[NH+](C/C=C/Cl)C1 ZINC001317766679 1385456173 /nfs/dbraw/zinc/45/61/73/1385456173.db2.gz HGODDZJJGVJFOH-MNDMWVCDSA-N 2 1 343.943 3.030 20 0 EGADMP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176164674 1385500272 /nfs/dbraw/zinc/50/02/72/1385500272.db2.gz DCSPLGQKNUMWKE-MSOLQXFVSA-N 2 1 339.568 3.419 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176166524 1385500677 /nfs/dbraw/zinc/50/06/77/1385500677.db2.gz RVWRMVLDPFZABT-ROUUACIJSA-N 2 1 349.563 3.173 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001317988273 1385601229 /nfs/dbraw/zinc/60/12/29/1385601229.db2.gz SGTNQNRGRINOBQ-MOPGFXCFSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC001317988273 1385601235 /nfs/dbraw/zinc/60/12/35/1385601235.db2.gz SGTNQNRGRINOBQ-MOPGFXCFSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001317988273 1385601239 /nfs/dbraw/zinc/60/12/39/1385601239.db2.gz SGTNQNRGRINOBQ-MOPGFXCFSA-N 2 1 345.531 3.369 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563966 1385626549 /nfs/dbraw/zinc/62/65/49/1385626549.db2.gz IWJWQTIAGLUPIZ-RTBURBONSA-N 2 1 345.531 3.020 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH2+]CCC1CCCC1 ZINC001176601670 1385638307 /nfs/dbraw/zinc/63/83/07/1385638307.db2.gz XEGJNHHJDCRYGY-INIZCTEOSA-N 2 1 334.508 3.036 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176753203 1385683262 /nfs/dbraw/zinc/68/32/62/1385683262.db2.gz CWDUKZNRVXLVBB-MSOLQXFVSA-N 2 1 327.557 3.273 20 0 EGADMP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001176753917 1385684175 /nfs/dbraw/zinc/68/41/75/1385684175.db2.gz OFLUJRJNIJFIHB-SFHVURJKSA-N 2 1 333.520 3.100 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCCCF ZINC001176759618 1385686491 /nfs/dbraw/zinc/68/64/91/1385686491.db2.gz LWYFGEVACWXTSD-MSOLQXFVSA-N 2 1 343.531 3.265 20 0 EGADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001318435967 1385687490 /nfs/dbraw/zinc/68/74/90/1385687490.db2.gz DOZVSWPCNSINGQ-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001176991448 1385765462 /nfs/dbraw/zinc/76/54/62/1385765462.db2.gz BBLORDDQRRJBBG-RTBURBONSA-N 2 1 331.504 3.108 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001177317297 1385911984 /nfs/dbraw/zinc/91/19/84/1385911984.db2.gz UABHPTVOBUKDNG-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001177339275 1385918814 /nfs/dbraw/zinc/91/88/14/1385918814.db2.gz AUHIIMZNGUNCII-GOSISDBHSA-N 2 1 346.519 3.169 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177352910 1385926143 /nfs/dbraw/zinc/92/61/43/1385926143.db2.gz QJRBQLBSZLCVAK-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N(CCC[NH2+]CC2CC2)CC2CCCC2)C1 ZINC001177415721 1385948546 /nfs/dbraw/zinc/94/85/46/1385948546.db2.gz JIVHSQRQXPAAGE-UHFFFAOYSA-N 2 1 349.563 3.127 20 0 EGADMP CCCCC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1C ZINC001177484428 1385974529 /nfs/dbraw/zinc/97/45/29/1385974529.db2.gz DMXGFNANRMZRJJ-UHFFFAOYSA-N 2 1 348.535 3.380 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(CCC[NH2+]C(C)C)CC1CCCC1 ZINC001177488706 1385975606 /nfs/dbraw/zinc/97/56/06/1385975606.db2.gz IJDOVKVTWJAHNZ-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N(CCC[NH2+]CC[C@H](C)F)CC1CCCC1 ZINC001177489257 1385976763 /nfs/dbraw/zinc/97/67/63/1385976763.db2.gz XBCKDKKEPLTZTR-KRWDZBQOSA-N 2 1 343.531 3.073 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC001319199283 1386003456 /nfs/dbraw/zinc/00/34/56/1386003456.db2.gz VABGVPBNZDOGBV-HUUCEWRRSA-N 2 1 336.476 3.095 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+][C@H]1CCc2ccccc21 ZINC001178045672 1386115695 /nfs/dbraw/zinc/11/56/95/1386115695.db2.gz RSBUTLYUWIFOTR-PMACEKPBSA-N 2 1 343.515 3.034 20 0 EGADMP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)Cn2cc[nH+]c2C(C)C)cs1 ZINC001319542168 1386170470 /nfs/dbraw/zinc/17/04/70/1386170470.db2.gz YZYUBHIDILTSGY-CQSZACIVSA-N 2 1 348.516 3.013 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001178467875 1386226650 /nfs/dbraw/zinc/22/66/50/1386226650.db2.gz JMTUYSHNMCJNKV-IBGZPJMESA-N 2 1 337.552 3.316 20 0 EGADMP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001178526810 1386241011 /nfs/dbraw/zinc/24/10/11/1386241011.db2.gz CXUYNOQHNCPVQB-RBUKOAKNSA-N 2 1 339.568 3.419 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CCC2=CCCCC2)CC[N@H+]1C ZINC001178523426 1386241283 /nfs/dbraw/zinc/24/12/83/1386241283.db2.gz YZYDKNRXCXXLRO-UYAOXDASSA-N 2 1 349.563 3.483 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCCCCC[NH2+]CC[C@@H](C)F ZINC001178692830 1386279835 /nfs/dbraw/zinc/27/98/35/1386279835.db2.gz CYONLWZNIWXTFS-MSOLQXFVSA-N 2 1 343.531 3.264 20 0 EGADMP CCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707642 1386285288 /nfs/dbraw/zinc/28/52/88/1386285288.db2.gz KJISEMYWXCCCRT-NSHGMRRFSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCCC(C)(C)C)[C@@H]2C)CC[N@H+]1C ZINC001178736572 1386292707 /nfs/dbraw/zinc/29/27/07/1386292707.db2.gz XENRJTDKMLNVCR-XLAORIBOSA-N 2 1 337.552 3.122 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]Cc1ccccc1C ZINC001178854030 1386329420 /nfs/dbraw/zinc/32/94/20/1386329420.db2.gz VFNVXOIKIVHKGX-UHFFFAOYSA-N 2 1 347.547 3.492 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001178878705 1386336412 /nfs/dbraw/zinc/33/64/12/1386336412.db2.gz XBMYLLTZKKKTIV-KDHUBKHVSA-N 2 1 349.563 3.290 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001178902298 1386343512 /nfs/dbraw/zinc/34/35/12/1386343512.db2.gz JVTPTKFAQBAIJJ-LPHOPBHVSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001178920671 1386349102 /nfs/dbraw/zinc/34/91/02/1386349102.db2.gz DMMVUIZIMICRHE-QZTJIDSGSA-N 2 1 343.531 3.121 20 0 EGADMP CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001178921080 1386350041 /nfs/dbraw/zinc/35/00/41/1386350041.db2.gz VRJVUWDTDWCZBG-GOSISDBHSA-N 2 1 325.541 3.173 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001179033692 1386384558 /nfs/dbraw/zinc/38/45/58/1386384558.db2.gz TVZOEOMGWQIWBL-KRWDZBQOSA-N 2 1 348.535 3.074 20 0 EGADMP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001179388440 1386471607 /nfs/dbraw/zinc/47/16/07/1386471607.db2.gz GVOFPPPCQNNAJI-OJUCNMNVSA-N 2 1 335.536 3.044 20 0 EGADMP Cc1cccc(C[N@H+](C)CCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001320059351 1386481041 /nfs/dbraw/zinc/48/10/41/1386481041.db2.gz RSLGKKINDUDGND-IBGZPJMESA-N 2 1 345.531 3.150 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001320067400 1386487180 /nfs/dbraw/zinc/48/71/80/1386487180.db2.gz REHAKZLAYOMZRU-SFHVURJKSA-N 2 1 339.568 3.179 20 0 EGADMP Cc1cccc(C[NH2+]CCCCCCNC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001179585258 1386522910 /nfs/dbraw/zinc/52/29/10/1386522910.db2.gz FNTJANSVWNODLM-IBGZPJMESA-N 2 1 345.531 3.103 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001179591224 1386526156 /nfs/dbraw/zinc/52/61/56/1386526156.db2.gz PZHBIVSNSYYDAC-PKOBYXMFSA-N 2 1 337.552 3.031 20 0 EGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001179592771 1386526887 /nfs/dbraw/zinc/52/68/87/1386526887.db2.gz MVAUVRPTHJMPBN-WAYWQWQTSA-N 2 1 337.552 3.341 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179651577 1386540184 /nfs/dbraw/zinc/54/01/84/1386540184.db2.gz JBDXDCNMIJNJKF-ROUUACIJSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCCCCC[NH2+]CC1CC1 ZINC001179741549 1386567578 /nfs/dbraw/zinc/56/75/78/1386567578.db2.gz JHIFLZYVEHFTBS-UHFFFAOYSA-N 2 1 334.508 3.073 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2C)[C@@H]1C ZINC001179978434 1386656776 /nfs/dbraw/zinc/65/67/76/1386656776.db2.gz ADDGAOBLMGJNAJ-HBFSDRIKSA-N 2 1 345.531 3.367 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001179989257 1386659789 /nfs/dbraw/zinc/65/97/89/1386659789.db2.gz WONWLJANSAEQDD-UHFFFAOYSA-N 2 1 325.541 3.175 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001179989207 1386660028 /nfs/dbraw/zinc/66/00/28/1386660028.db2.gz UQZNZZLAKCEMRA-MRXNPFEDSA-N 2 1 347.494 3.030 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CCC ZINC001180035743 1386676145 /nfs/dbraw/zinc/67/61/45/1386676145.db2.gz QJHWZNJSLBXPTL-SFHVURJKSA-N 2 1 325.541 3.317 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]Cc1ccc(C)cc1 ZINC001180121389 1386703284 /nfs/dbraw/zinc/70/32/84/1386703284.db2.gz NNMXPNNIRCGKOI-UHFFFAOYSA-N 2 1 333.520 3.103 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]CCCC(C)(C)C)C1 ZINC001180264803 1386749978 /nfs/dbraw/zinc/74/99/78/1386749978.db2.gz LADCSCDUFQPWKL-KRWDZBQOSA-N 2 1 325.541 3.031 20 0 EGADMP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)C1)c1cccc(F)c1 ZINC001180264419 1386750315 /nfs/dbraw/zinc/75/03/15/1386750315.db2.gz DUEDWMABIXBFJR-AEFFLSMTSA-N 2 1 349.494 3.105 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001180373272 1386778003 /nfs/dbraw/zinc/77/80/03/1386778003.db2.gz ZUIXQKLOERFGRJ-QZTJIDSGSA-N 2 1 325.541 3.173 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC001180792549 1386875468 /nfs/dbraw/zinc/87/54/68/1386875468.db2.gz CBHBGCZBHVSJLV-QAPCUYQASA-N 2 1 330.472 3.216 20 0 EGADMP Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC001321600196 1386938636 /nfs/dbraw/zinc/93/86/36/1386938636.db2.gz SZRXDVJUHNKJLO-GOSISDBHSA-N 2 1 345.531 3.244 20 0 EGADMP CCCCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC001181868288 1387067145 /nfs/dbraw/zinc/06/71/45/1387067145.db2.gz FIJNVLXAQKNPGN-FQEVSTJZSA-N 2 1 345.531 3.279 20 0 EGADMP CCCCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001181868288 1387067151 /nfs/dbraw/zinc/06/71/51/1387067151.db2.gz FIJNVLXAQKNPGN-FQEVSTJZSA-N 2 1 345.531 3.279 20 0 EGADMP CCCCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001181868288 1387067157 /nfs/dbraw/zinc/06/71/57/1387067157.db2.gz FIJNVLXAQKNPGN-FQEVSTJZSA-N 2 1 345.531 3.279 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C(=O)N[C@]1(C)CCC[NH+](C)C1)c1ccccc1 ZINC001182238559 1387129599 /nfs/dbraw/zinc/12/95/99/1387129599.db2.gz XWCIQSSIOQZSLD-TZIWHRDSSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+](CC)[C@@H](C(=O)N[C@]1(C)CCC[N@H+](C)C1)c1ccccc1 ZINC001182238559 1387129602 /nfs/dbraw/zinc/12/96/02/1387129602.db2.gz XWCIQSSIOQZSLD-TZIWHRDSSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+](CC)[C@@H](C(=O)N[C@]1(C)CCC[N@@H+](C)C1)c1ccccc1 ZINC001182238559 1387129605 /nfs/dbraw/zinc/12/96/05/1387129605.db2.gz XWCIQSSIOQZSLD-TZIWHRDSSA-N 2 1 345.531 3.450 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCCCC1)C1CCC1 ZINC001322338956 1387163047 /nfs/dbraw/zinc/16/30/47/1387163047.db2.gz PKQVUAXEGDTLJC-AZUAARDMSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001322394246 1387178557 /nfs/dbraw/zinc/17/85/57/1387178557.db2.gz VODNDYUVYPLZOO-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001182806180 1387227584 /nfs/dbraw/zinc/22/75/84/1387227584.db2.gz AIMHQDXDRVLHDQ-YFVAEKQCSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc2ccccc21)[NH+](C)C ZINC001329593048 1389172959 /nfs/dbraw/zinc/17/29/59/1389172959.db2.gz XLRGCGSHSYJLCX-UZLBHIALSA-N 2 1 341.499 3.117 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001330056418 1389295500 /nfs/dbraw/zinc/29/55/00/1389295500.db2.gz YRWIGVRBFPKGSE-DLBZAZTESA-N 2 1 348.535 3.125 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001330815604 1389535285 /nfs/dbraw/zinc/53/52/85/1389535285.db2.gz YFJIKWROBWLETJ-UHFFFAOYSA-N 2 1 326.444 3.241 20 0 EGADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1OC ZINC001343334540 1390708008 /nfs/dbraw/zinc/70/80/08/1390708008.db2.gz UBHRUJBYBVDNGX-SZMVWBNQSA-N 2 1 332.488 3.174 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001350425236 1391462371 /nfs/dbraw/zinc/46/23/71/1391462371.db2.gz HKXXNIVLWUVFCF-GOSISDBHSA-N 2 1 335.536 3.164 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001351798903 1391692310 /nfs/dbraw/zinc/69/23/10/1391692310.db2.gz FATZOWIFNDIWFF-GOSISDBHSA-N 2 1 329.488 3.178 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1 ZINC001479299233 1392208064 /nfs/dbraw/zinc/20/80/64/1392208064.db2.gz JAESRCBSYSQBRR-HQRMLTQVSA-N 2 1 343.515 3.106 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001479907143 1392474721 /nfs/dbraw/zinc/47/47/21/1392474721.db2.gz LJEKHGPDEBLNDV-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@H](C)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001479907143 1392474723 /nfs/dbraw/zinc/47/47/23/1392474723.db2.gz LJEKHGPDEBLNDV-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@H](C)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001479907143 1392474727 /nfs/dbraw/zinc/47/47/27/1392474727.db2.gz LJEKHGPDEBLNDV-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+](C)[C@@H](C)c2ccccc2C)C1 ZINC001480903964 1393009653 /nfs/dbraw/zinc/00/96/53/1393009653.db2.gz CCUAOAWDWCPZPV-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001480903964 1393009657 /nfs/dbraw/zinc/00/96/57/1393009657.db2.gz CCUAOAWDWCPZPV-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001480903964 1393009660 /nfs/dbraw/zinc/00/96/60/1393009660.db2.gz CCUAOAWDWCPZPV-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@@H+](CCC3CCCCCC3)C2)CCC1 ZINC001481095826 1393118603 /nfs/dbraw/zinc/11/86/03/1393118603.db2.gz NMZKFYMVGZWPLH-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H](CC)[NH+](C)C)[C@@H]1CCCc2ccccc21 ZINC001481139142 1393130814 /nfs/dbraw/zinc/13/08/14/1393130814.db2.gz GCWXBVVCVDSIIC-WOJBJXKFSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC1CCCCC1)C1CC1 ZINC001481172062 1393141189 /nfs/dbraw/zinc/14/11/89/1393141189.db2.gz YQKHYASUPQRICT-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC1CCCCC1)C1CC1 ZINC001481172062 1393141191 /nfs/dbraw/zinc/14/11/91/1393141191.db2.gz YQKHYASUPQRICT-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC1CCCCC1)C1CC1 ZINC001481172062 1393141192 /nfs/dbraw/zinc/14/11/92/1393141192.db2.gz YQKHYASUPQRICT-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001698941950 1406681556 /nfs/dbraw/zinc/68/15/56/1406681556.db2.gz YTVXLJRDLKTHDG-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001490561151 1394262405 /nfs/dbraw/zinc/26/24/05/1394262405.db2.gz VMESYGIGSXYGSN-QAPCUYQASA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001490561151 1394262408 /nfs/dbraw/zinc/26/24/08/1394262408.db2.gz VMESYGIGSXYGSN-QAPCUYQASA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001490561151 1394262412 /nfs/dbraw/zinc/26/24/12/1394262412.db2.gz VMESYGIGSXYGSN-QAPCUYQASA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001490561151 1394262416 /nfs/dbraw/zinc/26/24/16/1394262416.db2.gz VMESYGIGSXYGSN-QAPCUYQASA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001490764887 1394326980 /nfs/dbraw/zinc/32/69/80/1394326980.db2.gz HCKLTCFFSXOUAG-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC001491119269 1394437941 /nfs/dbraw/zinc/43/79/41/1394437941.db2.gz CJVOHMKIDIWUAG-IBGZPJMESA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)(C)CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001481702217 1394461062 /nfs/dbraw/zinc/46/10/62/1394461062.db2.gz KGPZUEXNXNDAIO-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001482035345 1394696463 /nfs/dbraw/zinc/69/64/63/1394696463.db2.gz XJKYVHYAYSFTNY-PXNSSMCTSA-N 2 1 345.531 3.026 20 0 EGADMP CC(C)[NH2+][C@H](C)c1ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001484562382 1395448524 /nfs/dbraw/zinc/44/85/24/1395448524.db2.gz YMTPJQWKJVNBPR-MRXNPFEDSA-N 2 1 333.520 3.340 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@H+]1CC1CCC1 ZINC001484985028 1395626119 /nfs/dbraw/zinc/62/61/19/1395626119.db2.gz AWBVNGYMNLIETH-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1cccc(C[N@H+](C)[C@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001485367667 1395844616 /nfs/dbraw/zinc/84/46/16/1395844616.db2.gz DHOWFWXXWWELGN-GOSISDBHSA-N 2 1 345.531 3.052 20 0 EGADMP CN(CC[N@@H+](C)CCCC(C)(C)C)C(=O)C[NH+](C)CC(C)(C)C ZINC001698996420 1406795550 /nfs/dbraw/zinc/79/55/50/1406795550.db2.gz COBKBCXMESOTLJ-UHFFFAOYSA-N 2 1 327.557 3.181 20 0 EGADMP CN(CC[NH+](C)CCCC(C)(C)C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001698996420 1406795555 /nfs/dbraw/zinc/79/55/55/1406795555.db2.gz COBKBCXMESOTLJ-UHFFFAOYSA-N 2 1 327.557 3.181 20 0 EGADMP CN(CC[NH+](C)CCCC(C)(C)C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001698996420 1406795557 /nfs/dbraw/zinc/79/55/57/1406795557.db2.gz COBKBCXMESOTLJ-UHFFFAOYSA-N 2 1 327.557 3.181 20 0 EGADMP CCCC[N@@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001485760692 1396136094 /nfs/dbraw/zinc/13/60/94/1396136094.db2.gz BIIKGBGLDOIXGM-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP Cc1ccc(C[N@@H+](C)CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)cc1C ZINC001492442219 1396322523 /nfs/dbraw/zinc/32/25/23/1396322523.db2.gz UNLJEHKICKVVIF-FQEVSTJZSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)cc1C ZINC001492442219 1396322524 /nfs/dbraw/zinc/32/25/24/1396322524.db2.gz UNLJEHKICKVVIF-FQEVSTJZSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1c(C)cccc1C ZINC001699033462 1406871899 /nfs/dbraw/zinc/87/18/99/1406871899.db2.gz AOBMMNADQXCCPE-AZUAARDMSA-N 2 1 345.531 3.020 20 0 EGADMP CN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001690023446 1404262134 /nfs/dbraw/zinc/26/21/34/1404262134.db2.gz SGQVKTXEYCIJTP-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1)CC(C)(C)C ZINC001690455310 1404583413 /nfs/dbraw/zinc/58/34/13/1404583413.db2.gz RZPQCXABNONLLK-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1)CC(C)(C)C ZINC001690455310 1404583415 /nfs/dbraw/zinc/58/34/15/1404583415.db2.gz RZPQCXABNONLLK-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCC1)CC(C)(C)C ZINC001690455310 1404583420 /nfs/dbraw/zinc/58/34/20/1404583420.db2.gz RZPQCXABNONLLK-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+]1CCC1CC1 ZINC001690492736 1404606493 /nfs/dbraw/zinc/60/64/93/1404606493.db2.gz UJHNTZUPJCQGLZ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CCC1CC1 ZINC001690492736 1404606496 /nfs/dbraw/zinc/60/64/96/1404606496.db2.gz UJHNTZUPJCQGLZ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+]1CCC1CC1 ZINC001690492736 1404606500 /nfs/dbraw/zinc/60/65/00/1404606500.db2.gz UJHNTZUPJCQGLZ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC001691012099 1404928034 /nfs/dbraw/zinc/92/80/34/1404928034.db2.gz SGFFXMVUVKBWEX-PXNSSMCTSA-N 2 1 345.531 3.403 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC001691012099 1404928035 /nfs/dbraw/zinc/92/80/35/1404928035.db2.gz SGFFXMVUVKBWEX-PXNSSMCTSA-N 2 1 345.531 3.403 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC001691012099 1404928037 /nfs/dbraw/zinc/92/80/37/1404928037.db2.gz SGFFXMVUVKBWEX-PXNSSMCTSA-N 2 1 345.531 3.403 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@H](C)c1ccccc1F ZINC001691021457 1404934812 /nfs/dbraw/zinc/93/48/12/1404934812.db2.gz AWGLUOVAWWJWGP-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)[C@H](C)c1ccccc1F ZINC001691021457 1404934814 /nfs/dbraw/zinc/93/48/14/1404934814.db2.gz AWGLUOVAWWJWGP-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)[C@H](C)c1ccccc1F ZINC001691021457 1404934816 /nfs/dbraw/zinc/93/48/16/1404934816.db2.gz AWGLUOVAWWJWGP-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001691055748 1404975319 /nfs/dbraw/zinc/97/53/19/1404975319.db2.gz PZTMFOFKBYWIOG-RTBURBONSA-N 2 1 349.494 3.151 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCCC(C)(C)C)C(=O)CCC[NH+]1CCCC1 ZINC001691075109 1405008871 /nfs/dbraw/zinc/00/88/71/1405008871.db2.gz OHMYMQGRTOJXHA-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1cccc(CC)c1 ZINC001691183466 1405120701 /nfs/dbraw/zinc/12/07/01/1405120701.db2.gz CJXMDVSAKMVZMZ-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1cccc(CC)c1 ZINC001691183466 1405120703 /nfs/dbraw/zinc/12/07/03/1405120703.db2.gz CJXMDVSAKMVZMZ-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001691225345 1405165833 /nfs/dbraw/zinc/16/58/33/1405165833.db2.gz CIMAMBSKJJHVGB-QGZVFWFLSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001691225345 1405165836 /nfs/dbraw/zinc/16/58/36/1405165836.db2.gz CIMAMBSKJJHVGB-QGZVFWFLSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001691225345 1405165837 /nfs/dbraw/zinc/16/58/37/1405165837.db2.gz CIMAMBSKJJHVGB-QGZVFWFLSA-N 2 1 349.563 3.125 20 0 EGADMP CN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001698568307 1406171849 /nfs/dbraw/zinc/17/18/49/1406171849.db2.gz ZLFKJZQOMQMCFG-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C[NH2+]Cc2ccc(C)cc2C)CCCC1 ZINC001732234677 1428481087 /nfs/dbraw/zinc/48/10/87/1428481087.db2.gz QGFYJOSTROCHKQ-UHFFFAOYSA-N 2 1 345.531 3.164 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1)C1CCC1 ZINC001732310174 1428523782 /nfs/dbraw/zinc/52/37/82/1428523782.db2.gz IBOQHRGTRGTOGZ-IYARVYRRSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001699695314 1413103618 /nfs/dbraw/zinc/10/36/18/1413103618.db2.gz VZNHPFKCHIDLCJ-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@@]2(C)CCC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001699874878 1413328471 /nfs/dbraw/zinc/32/84/71/1413328471.db2.gz QYAOJBVBTOWFMK-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP CCCC[N@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001699877006 1413336112 /nfs/dbraw/zinc/33/61/12/1413336112.db2.gz OBRAKTOXNFJMJK-FQEVSTJZSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1cc(C)cc(C[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001700485883 1414131849 /nfs/dbraw/zinc/13/18/49/1414131849.db2.gz BGDRYJBLNUIFGW-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CC1CC(C[N@H+]2CCCCC[C@@H]2CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001700525597 1414186090 /nfs/dbraw/zinc/18/60/90/1414186090.db2.gz FQWQQUZJOZIZES-SOAGJPPSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001700544993 1414213447 /nfs/dbraw/zinc/21/34/47/1414213447.db2.gz DPJJZHGRNNCBJM-IAGOWNOFSA-N 2 1 339.568 3.083 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1cccc(F)c1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001732774512 1428962003 /nfs/dbraw/zinc/96/20/03/1428962003.db2.gz GAZJNRWIBALLLR-VQIMIIECSA-N 2 1 349.494 3.198 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1ccccc1C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001732774465 1428962291 /nfs/dbraw/zinc/96/22/91/1428962291.db2.gz DSZBRRUDFPUBFQ-UYAOXDASSA-N 2 1 345.531 3.367 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001733043010 1429172908 /nfs/dbraw/zinc/17/29/08/1429172908.db2.gz BRRJYQJSEMKSLP-WMZOPIPTSA-N 2 1 331.504 3.059 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1CCC1 ZINC001707447315 1417351453 /nfs/dbraw/zinc/35/14/53/1417351453.db2.gz QLDIQKCOLNAQNB-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001713113682 1417677255 /nfs/dbraw/zinc/67/72/55/1417677255.db2.gz URNYEWPDAHULOD-JXFKEZNVSA-N 2 1 343.515 3.025 20 0 EGADMP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001713278057 1417900995 /nfs/dbraw/zinc/90/09/95/1417900995.db2.gz QJJDIZMCSANNHW-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)Cc1ccc(F)cc1 ZINC001713551905 1418335306 /nfs/dbraw/zinc/33/53/06/1418335306.db2.gz FCIKVDXELWGHRG-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)Cc1ccc(F)cc1 ZINC001713551905 1418335308 /nfs/dbraw/zinc/33/53/08/1418335308.db2.gz FCIKVDXELWGHRG-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C2CC2)c1 ZINC001713564886 1418373261 /nfs/dbraw/zinc/37/32/61/1418373261.db2.gz OYGBZFRZPAVQCI-YLJYHZDGSA-N 2 1 345.531 3.223 20 0 EGADMP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](CCC)C1 ZINC001713722610 1418497186 /nfs/dbraw/zinc/49/71/86/1418497186.db2.gz QGDJICPXQVLKNS-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001713760300 1418568716 /nfs/dbraw/zinc/56/87/16/1418568716.db2.gz CHNFIXYWXNEVTP-GPJFCIFZSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C[NH+](C)CCC3CCCC3)CC2)C1 ZINC001713766177 1418579744 /nfs/dbraw/zinc/57/97/44/1418579744.db2.gz PXDIOBSUXADETD-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC(C[N@H+](C)CCC3CCCC3)CC2)C1 ZINC001713766177 1418579748 /nfs/dbraw/zinc/57/97/48/1418579748.db2.gz PXDIOBSUXADETD-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC(C[N@@H+](C)CCC3CCCC3)CC2)C1 ZINC001713766177 1418579749 /nfs/dbraw/zinc/57/97/49/1418579749.db2.gz PXDIOBSUXADETD-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@@H+](CCCC3CCCC3)C2)CCC1 ZINC001713784911 1418601737 /nfs/dbraw/zinc/60/17/37/1418601737.db2.gz WVIURIADSUWSSO-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)(C)CCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001713822925 1418624133 /nfs/dbraw/zinc/62/41/33/1418624133.db2.gz NNWQTVMOBOYOEF-KRWDZBQOSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001713822925 1418624136 /nfs/dbraw/zinc/62/41/36/1418624136.db2.gz NNWQTVMOBOYOEF-KRWDZBQOSA-N 2 1 349.563 3.268 20 0 EGADMP CN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001714012024 1418790901 /nfs/dbraw/zinc/79/09/01/1418790901.db2.gz BDMDBVYCZDLZDH-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001714092499 1418886713 /nfs/dbraw/zinc/88/67/13/1418886713.db2.gz WJFMXSAYGCOYIR-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001714138936 1418941725 /nfs/dbraw/zinc/94/17/25/1418941725.db2.gz ARYYXJPCMCVVLF-IEBWSBKVSA-N 2 1 343.515 3.169 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@@H](C)CNC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC001714277779 1419057661 /nfs/dbraw/zinc/05/76/61/1419057661.db2.gz DUBAVPWWCWDXIV-IRXDYDNUSA-N 2 1 342.487 3.170 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001714289454 1419067908 /nfs/dbraw/zinc/06/79/08/1419067908.db2.gz KDMTVXKOTWNHBU-SJORKVTESA-N 2 1 347.547 3.481 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC001714536793 1419262673 /nfs/dbraw/zinc/26/26/73/1419262673.db2.gz IEBAQNDQHWQCOY-APWZRJJASA-N 2 1 331.504 3.013 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001714536793 1419262676 /nfs/dbraw/zinc/26/26/76/1419262676.db2.gz IEBAQNDQHWQCOY-APWZRJJASA-N 2 1 331.504 3.013 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+](C)CCNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001714536793 1419262679 /nfs/dbraw/zinc/26/26/79/1419262679.db2.gz IEBAQNDQHWQCOY-APWZRJJASA-N 2 1 331.504 3.013 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC001714536795 1419263060 /nfs/dbraw/zinc/26/30/60/1419263060.db2.gz IEBAQNDQHWQCOY-LPHOPBHVSA-N 2 1 331.504 3.013 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001714536795 1419263064 /nfs/dbraw/zinc/26/30/64/1419263064.db2.gz IEBAQNDQHWQCOY-LPHOPBHVSA-N 2 1 331.504 3.013 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+](C)CCNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001714536795 1419263066 /nfs/dbraw/zinc/26/30/66/1419263066.db2.gz IEBAQNDQHWQCOY-LPHOPBHVSA-N 2 1 331.504 3.013 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)c1 ZINC001714564929 1419293326 /nfs/dbraw/zinc/29/33/26/1419293326.db2.gz OENXDMPZFJLERR-ICSRJNTNSA-N 2 1 345.531 3.367 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)c1 ZINC001714564929 1419293330 /nfs/dbraw/zinc/29/33/30/1419293330.db2.gz OENXDMPZFJLERR-ICSRJNTNSA-N 2 1 345.531 3.367 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NCC[N@@H+](CC1CCCCCC1)C1CC1 ZINC001714674316 1419465948 /nfs/dbraw/zinc/46/59/48/1419465948.db2.gz FVYJWFLLWZSPKX-UHFFFAOYSA-N 2 1 349.563 3.413 20 0 EGADMP CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001714861212 1419583291 /nfs/dbraw/zinc/58/32/91/1419583291.db2.gz OMFSMBYDSLWTHZ-IBGZPJMESA-N 2 1 349.494 3.034 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001714913768 1419662707 /nfs/dbraw/zinc/66/27/07/1419662707.db2.gz WTLWHUSXMATUEA-GOSISDBHSA-N 2 1 345.531 3.260 20 0 EGADMP Cc1cc(C)cc(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001714929190 1419681959 /nfs/dbraw/zinc/68/19/59/1419681959.db2.gz WKQMDOYWIXHXNU-WOJBJXKFSA-N 2 1 345.531 3.018 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001715033373 1419766602 /nfs/dbraw/zinc/76/66/02/1419766602.db2.gz VYOHJQDWVRZPMV-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1C ZINC001715225343 1419958234 /nfs/dbraw/zinc/95/82/34/1419958234.db2.gz CWPFAWWFRYGNBJ-OXQOHEQNSA-N 2 1 345.531 3.018 20 0 EGADMP CC1CC(C[N@@H+](C)CCC2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001715482162 1420160996 /nfs/dbraw/zinc/16/09/96/1420160996.db2.gz OPXBEOIYGACOAP-UUKMXZOPSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[NH+](C)CCC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001715482162 1420160998 /nfs/dbraw/zinc/16/09/98/1420160998.db2.gz OPXBEOIYGACOAP-UUKMXZOPSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[NH+](C)CCC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001715482162 1420161000 /nfs/dbraw/zinc/16/10/00/1420161000.db2.gz OPXBEOIYGACOAP-UUKMXZOPSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CCCC(C)(C)C ZINC001715519187 1420205329 /nfs/dbraw/zinc/20/53/29/1420205329.db2.gz GBHPCKQVYRPWNQ-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)CCCC(C)(C)C ZINC001715519187 1420205331 /nfs/dbraw/zinc/20/53/31/1420205331.db2.gz GBHPCKQVYRPWNQ-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CCCC(C)(C)C ZINC001715519187 1420205333 /nfs/dbraw/zinc/20/53/33/1420205333.db2.gz GBHPCKQVYRPWNQ-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@H]([NH2+]CC1CCC(C)(C)CC1)C(C)C ZINC001715730778 1420314919 /nfs/dbraw/zinc/31/49/19/1420314919.db2.gz RZGFVSKKTRXUHJ-SFHVURJKSA-N 2 1 348.535 3.138 20 0 EGADMP C[C@@H](C[N@@H+](C)[C@@H](C)c1ccccc1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001716044324 1420507298 /nfs/dbraw/zinc/50/72/98/1420507298.db2.gz LCICULPPKPIZJK-IRXDYDNUSA-N 2 1 333.520 3.162 20 0 EGADMP C[C@@H](C[NH+](C)[C@@H](C)c1ccccc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001716044324 1420507300 /nfs/dbraw/zinc/50/73/00/1420507300.db2.gz LCICULPPKPIZJK-IRXDYDNUSA-N 2 1 333.520 3.162 20 0 EGADMP C[C@@H](C[NH+](C)[C@@H](C)c1ccccc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001716044324 1420507301 /nfs/dbraw/zinc/50/73/01/1420507301.db2.gz LCICULPPKPIZJK-IRXDYDNUSA-N 2 1 333.520 3.162 20 0 EGADMP C[C@H](C[N@@H+](C)CC1CCC(C)(C)CC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001716481980 1420699108 /nfs/dbraw/zinc/69/91/08/1420699108.db2.gz AQIUNGWPCSZUOS-MRXNPFEDSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001733277086 1429441653 /nfs/dbraw/zinc/44/16/53/1429441653.db2.gz NPDFDBBMNCEENE-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001733277086 1429441656 /nfs/dbraw/zinc/44/16/56/1429441656.db2.gz NPDFDBBMNCEENE-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001733277086 1429441659 /nfs/dbraw/zinc/44/16/59/1429441659.db2.gz NPDFDBBMNCEENE-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@]1(C)CCC[NH+](CCCC2CCC2)C1)C1CCC1 ZINC001716895240 1421021969 /nfs/dbraw/zinc/02/19/69/1421021969.db2.gz GEVCAFMUGPYYOI-OAQYLSRUSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NC[C@@]1(C)CCC[N@H+](CCCC2CCC2)C1)C1CCC1 ZINC001716895240 1421021973 /nfs/dbraw/zinc/02/19/73/1421021973.db2.gz GEVCAFMUGPYYOI-OAQYLSRUSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NC[C@@]1(C)CCC[N@@H+](CCCC2CCC2)C1)C1CCC1 ZINC001716895240 1421021976 /nfs/dbraw/zinc/02/19/76/1421021976.db2.gz GEVCAFMUGPYYOI-OAQYLSRUSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1c(C(=O)NC[C@@]2(C)CCC[N@H+](CC(C)C)C2)ccc2c[nH+]cn21 ZINC001716896750 1421024670 /nfs/dbraw/zinc/02/46/70/1421024670.db2.gz ROQYTMZSROTCMQ-HXUWFJFHSA-N 2 1 342.487 3.131 20 0 EGADMP Cc1ccccc1C[N@@H+]1CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001716897990 1421026158 /nfs/dbraw/zinc/02/61/58/1421026158.db2.gz MXODIBUYRQRXAV-OAQYLSRUSA-N 2 1 345.531 3.055 20 0 EGADMP Cc1ccccc1C[N@@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001716897989 1421026217 /nfs/dbraw/zinc/02/62/17/1421026217.db2.gz MXODIBUYRQRXAV-NRFANRHFSA-N 2 1 345.531 3.055 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001717338281 1421276019 /nfs/dbraw/zinc/27/60/19/1421276019.db2.gz SFVSVFFJNRDDTR-QFBILLFUSA-N 2 1 348.535 3.377 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001717338281 1421276020 /nfs/dbraw/zinc/27/60/20/1421276020.db2.gz SFVSVFFJNRDDTR-QFBILLFUSA-N 2 1 348.535 3.377 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC2(CC1)CC[NH+](CC(C)C)CC2 ZINC001717348649 1421287333 /nfs/dbraw/zinc/28/73/33/1421287333.db2.gz PEMSFVXAPHNNNF-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001717370183 1421307956 /nfs/dbraw/zinc/30/79/56/1421307956.db2.gz CQMZSQWJLAIZPJ-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001717377084 1421319437 /nfs/dbraw/zinc/31/94/37/1421319437.db2.gz GGMWRRIWGJDYTM-PMACEKPBSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001717377063 1421319598 /nfs/dbraw/zinc/31/95/98/1421319598.db2.gz FQFSDWWCDZICBQ-FQEVSTJZSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001717377087 1421319894 /nfs/dbraw/zinc/31/98/94/1421319894.db2.gz GGMWRRIWGJDYTM-WOJBJXKFSA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]C(C)C)c1ccccc1 ZINC001717459099 1421388520 /nfs/dbraw/zinc/38/85/20/1421388520.db2.gz QFYCCJHSKGMGPT-GOSISDBHSA-N 2 1 333.520 3.162 20 0 EGADMP Cc1ccc(C)c(C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001717487923 1421424776 /nfs/dbraw/zinc/42/47/76/1421424776.db2.gz NETPFBSHSCXSIK-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1ccc(C)c(C[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001717487923 1421424777 /nfs/dbraw/zinc/42/47/77/1421424777.db2.gz NETPFBSHSCXSIK-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1ccc(C)c(C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001717487923 1421424780 /nfs/dbraw/zinc/42/47/80/1421424780.db2.gz NETPFBSHSCXSIK-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001717496595 1421437741 /nfs/dbraw/zinc/43/77/41/1421437741.db2.gz MOFPJMCOQQKQTQ-KRWDZBQOSA-N 2 1 347.547 3.262 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001717496595 1421437743 /nfs/dbraw/zinc/43/77/43/1421437743.db2.gz MOFPJMCOQQKQTQ-KRWDZBQOSA-N 2 1 347.547 3.262 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001717496595 1421437744 /nfs/dbraw/zinc/43/77/44/1421437744.db2.gz MOFPJMCOQQKQTQ-KRWDZBQOSA-N 2 1 347.547 3.262 20 0 EGADMP CCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001717741691 1421605235 /nfs/dbraw/zinc/60/52/35/1421605235.db2.gz VCEWAXCBCHHMDT-QGZVFWFLSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1[NH2+]C(C)C ZINC001723377186 1424377245 /nfs/dbraw/zinc/37/72/45/1424377245.db2.gz JFHSHJDAQAVZMD-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C1CCCCCC1 ZINC001723639497 1424504516 /nfs/dbraw/zinc/50/45/16/1424504516.db2.gz HRPTWXAJBPMVNX-LJQANCHMSA-N 2 1 337.552 3.410 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CCCCCC1 ZINC001723639497 1424504519 /nfs/dbraw/zinc/50/45/19/1424504519.db2.gz HRPTWXAJBPMVNX-LJQANCHMSA-N 2 1 337.552 3.410 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CCCCCC1 ZINC001723639497 1424504525 /nfs/dbraw/zinc/50/45/25/1424504525.db2.gz HRPTWXAJBPMVNX-LJQANCHMSA-N 2 1 337.552 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCC1 ZINC001724782901 1425148739 /nfs/dbraw/zinc/14/87/39/1425148739.db2.gz AJOQBYORBFLKCR-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001724839069 1425187486 /nfs/dbraw/zinc/18/74/86/1425187486.db2.gz QZAOFWZQWJYSMI-HKUYNNGSSA-N 2 1 343.515 3.203 20 0 EGADMP C[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1)[NH+]1CCCCCC1 ZINC001724856433 1425230093 /nfs/dbraw/zinc/23/00/93/1425230093.db2.gz AYNLOQGIDCDBBM-LJQANCHMSA-N 2 1 345.531 3.231 20 0 EGADMP Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001724969156 1425366841 /nfs/dbraw/zinc/36/68/41/1425366841.db2.gz GFCJPLCZJUSPIS-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001724979980 1425381746 /nfs/dbraw/zinc/38/17/46/1425381746.db2.gz RHPWHUQXCJBZPY-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)c1ccccc1 ZINC001725182181 1425708572 /nfs/dbraw/zinc/70/85/72/1425708572.db2.gz BEOFLOSYVBSPCQ-IRXDYDNUSA-N 2 1 342.487 3.169 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001725182181 1425708575 /nfs/dbraw/zinc/70/85/75/1425708575.db2.gz BEOFLOSYVBSPCQ-IRXDYDNUSA-N 2 1 342.487 3.169 20 0 EGADMP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)CC1CCCCCC1 ZINC001725189084 1425728059 /nfs/dbraw/zinc/72/80/59/1425728059.db2.gz IFPRIEORXCHLTM-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](CCCC1CCC1)C2 ZINC001725343048 1425993096 /nfs/dbraw/zinc/99/30/96/1425993096.db2.gz HYVUYNJLYIDKSP-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+](CCCC1CCC1)C2 ZINC001725343048 1425993101 /nfs/dbraw/zinc/99/31/01/1425993101.db2.gz HYVUYNJLYIDKSP-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CCC[N@@H+](CCCC1CCC1)C2 ZINC001725343048 1425993104 /nfs/dbraw/zinc/99/31/04/1425993104.db2.gz HYVUYNJLYIDKSP-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001725468962 1426137823 /nfs/dbraw/zinc/13/78/23/1426137823.db2.gz UFRGUJABJMHTNI-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccccc2CC)C[C@H]1C ZINC001725582125 1426237275 /nfs/dbraw/zinc/23/72/75/1426237275.db2.gz CLODJJJHBYOCSS-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1C/C=C/c1ccccc1 ZINC001725630419 1426298141 /nfs/dbraw/zinc/29/81/41/1426298141.db2.gz QZGOLVLCVRTKGN-ZSGQJBBISA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)[NH2+]C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C(C)(C)C ZINC001725744005 1426420888 /nfs/dbraw/zinc/42/08/88/1426420888.db2.gz JPGDETYBSWERKU-KRWDZBQOSA-N 2 1 325.541 3.170 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001731354917 1427295001 /nfs/dbraw/zinc/29/50/01/1427295001.db2.gz IVSZTPAVLSJSLU-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001731354917 1427295005 /nfs/dbraw/zinc/29/50/05/1427295005.db2.gz IVSZTPAVLSJSLU-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001731354917 1427295009 /nfs/dbraw/zinc/29/50/09/1427295009.db2.gz IVSZTPAVLSJSLU-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H]2NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001731381362 1427318852 /nfs/dbraw/zinc/31/88/52/1427318852.db2.gz JMXIQEJJJWNDIV-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001731696496 1427746186 /nfs/dbraw/zinc/74/61/86/1427746186.db2.gz ATZVBCBNIPQYHN-UXHICEINSA-N 2 1 345.531 3.108 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001731697610 1427748618 /nfs/dbraw/zinc/74/86/18/1427748618.db2.gz LPOSKADJCXSTMS-MSOLQXFVSA-N 2 1 348.535 3.460 20 0 EGADMP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)CC1CCCCC1 ZINC001731769138 1427878810 /nfs/dbraw/zinc/87/88/10/1427878810.db2.gz DISKOQKEBQEIDH-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)CC1CCCCC1 ZINC001731769138 1427878818 /nfs/dbraw/zinc/87/88/18/1427878818.db2.gz DISKOQKEBQEIDH-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)CC1CCCCC1 ZINC001731769138 1427878824 /nfs/dbraw/zinc/87/88/24/1427878824.db2.gz DISKOQKEBQEIDH-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC1CCCCCC1 ZINC001731773274 1427886944 /nfs/dbraw/zinc/88/69/44/1427886944.db2.gz VCWSWGKFNLVVEZ-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CC1CCCCCC1 ZINC001731773274 1427886949 /nfs/dbraw/zinc/88/69/49/1427886949.db2.gz VCWSWGKFNLVVEZ-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CC1CCCCCC1 ZINC001731773274 1427886954 /nfs/dbraw/zinc/88/69/54/1427886954.db2.gz VCWSWGKFNLVVEZ-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001731832969 1428044989 /nfs/dbraw/zinc/04/49/89/1428044989.db2.gz DYFPFYSCFPTXPL-PKOBYXMFSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001731832969 1428044992 /nfs/dbraw/zinc/04/49/92/1428044992.db2.gz DYFPFYSCFPTXPL-PKOBYXMFSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001731832969 1428044994 /nfs/dbraw/zinc/04/49/94/1428044994.db2.gz DYFPFYSCFPTXPL-PKOBYXMFSA-N 2 1 345.531 3.306 20 0 EGADMP CCCC[N@@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001734272805 1438003880 /nfs/dbraw/zinc/00/38/80/1438003880.db2.gz XWWUTWATUPQCMQ-HXUWFJFHSA-N 2 1 345.531 3.402 20 0 EGADMP CCCC[NH+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001734272805 1438003882 /nfs/dbraw/zinc/00/38/82/1438003882.db2.gz XWWUTWATUPQCMQ-HXUWFJFHSA-N 2 1 345.531 3.402 20 0 EGADMP CCCC[NH+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001734272805 1438003885 /nfs/dbraw/zinc/00/38/85/1438003885.db2.gz XWWUTWATUPQCMQ-HXUWFJFHSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@H]([NH2+]C1CC(N(C)C(=O)CC[N@@H+](C)CC)C1)c1ccc(F)cc1 ZINC001734601193 1438182849 /nfs/dbraw/zinc/18/28/49/1438182849.db2.gz BYNRNAYGCJHYLI-ACBHZAAOSA-N 2 1 349.494 3.198 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001734601593 1438183223 /nfs/dbraw/zinc/18/32/23/1438183223.db2.gz RIFLMSUVJMSJFF-UHFFFAOYSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1cccc(F)c1 ZINC001751974572 1440129887 /nfs/dbraw/zinc/12/98/87/1440129887.db2.gz HTSBRERHJZDTPW-QFBILLFUSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001751974572 1440129888 /nfs/dbraw/zinc/12/98/88/1440129888.db2.gz HTSBRERHJZDTPW-QFBILLFUSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001751974572 1440129889 /nfs/dbraw/zinc/12/98/89/1440129889.db2.gz HTSBRERHJZDTPW-QFBILLFUSA-N 2 1 349.494 3.198 20 0 EGADMP C[N@@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CCC1CCCCC1 ZINC001752009939 1440132322 /nfs/dbraw/zinc/13/23/22/1440132322.db2.gz SGYINTIWQYIREY-UHFFFAOYSA-N 2 1 335.536 3.023 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccccc1 ZINC001752159012 1440148100 /nfs/dbraw/zinc/14/81/00/1440148100.db2.gz YIPQGEXTWNHFST-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)c1 ZINC001752159059 1440148297 /nfs/dbraw/zinc/14/82/97/1440148297.db2.gz YSIFVNHLRRUYJT-ICSRJNTNSA-N 2 1 345.531 3.194 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001752159340 1440148485 /nfs/dbraw/zinc/14/84/85/1440148485.db2.gz PKRXVCDHCNADIV-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC1CCCCCC1 ZINC001752181904 1440151316 /nfs/dbraw/zinc/15/13/16/1440151316.db2.gz OZESWXSRTVFBTJ-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC1CCCCCC1 ZINC001752181904 1440151318 /nfs/dbraw/zinc/15/13/18/1440151318.db2.gz OZESWXSRTVFBTJ-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC1CCCCCC1 ZINC001752181904 1440151319 /nfs/dbraw/zinc/15/13/19/1440151319.db2.gz OZESWXSRTVFBTJ-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001752527670 1440193413 /nfs/dbraw/zinc/19/34/13/1440193413.db2.gz LXMRCUYHRDJDKD-RBUKOAKNSA-N 2 1 345.531 3.260 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H](C[N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001752527670 1440193414 /nfs/dbraw/zinc/19/34/14/1440193414.db2.gz LXMRCUYHRDJDKD-RBUKOAKNSA-N 2 1 345.531 3.260 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H](C[N@@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001752527670 1440193415 /nfs/dbraw/zinc/19/34/15/1440193415.db2.gz LXMRCUYHRDJDKD-RBUKOAKNSA-N 2 1 345.531 3.260 20 0 EGADMP CCCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001752527709 1440193478 /nfs/dbraw/zinc/19/34/78/1440193478.db2.gz MZMOVFPKSZIKKV-OALUTQOASA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001752527709 1440193479 /nfs/dbraw/zinc/19/34/79/1440193479.db2.gz MZMOVFPKSZIKKV-OALUTQOASA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001752527709 1440193480 /nfs/dbraw/zinc/19/34/80/1440193480.db2.gz MZMOVFPKSZIKKV-OALUTQOASA-N 2 1 337.552 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CCC3CCCC3)CC[C@H]21 ZINC001752708148 1440202970 /nfs/dbraw/zinc/20/29/70/1440202970.db2.gz RMDVLKQAPIBKIR-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]2C[N@H+](CCC3CCCC3)CC[C@H]21 ZINC001752708148 1440202971 /nfs/dbraw/zinc/20/29/71/1440202971.db2.gz RMDVLKQAPIBKIR-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]2C[N@@H+](CCC3CCCC3)CC[C@H]21 ZINC001752708148 1440202972 /nfs/dbraw/zinc/20/29/72/1440202972.db2.gz RMDVLKQAPIBKIR-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1)c1cccc(Cl)c1 ZINC001752733746 1440204286 /nfs/dbraw/zinc/20/42/86/1440204286.db2.gz YZIYJHBTRNAJEJ-RRQGHBQHSA-N 2 1 349.906 3.122 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001752741384 1440204541 /nfs/dbraw/zinc/20/45/41/1440204541.db2.gz UOABPOFWYLKJFK-HDICACEKSA-N 2 1 349.563 3.457 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCCC(C)C)C1 ZINC001752814308 1440217453 /nfs/dbraw/zinc/21/74/53/1440217453.db2.gz GMBYLUYQFLJMSQ-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001752835197 1440227366 /nfs/dbraw/zinc/22/73/66/1440227366.db2.gz CEUJHBNNWXHKTG-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001752880834 1440238869 /nfs/dbraw/zinc/23/88/69/1440238869.db2.gz ZHUCZJPFHIRHNF-QFBILLFUSA-N 2 1 347.547 3.068 20 0 EGADMP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1C ZINC001752902395 1440243294 /nfs/dbraw/zinc/24/32/94/1440243294.db2.gz ALGNWUXVEKUAFJ-UYAOXDASSA-N 2 1 345.531 3.161 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001752962386 1440253517 /nfs/dbraw/zinc/25/35/17/1440253517.db2.gz DJWDBONRKOCAOA-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001752983755 1440257657 /nfs/dbraw/zinc/25/76/57/1440257657.db2.gz OOZFPHJVXFKSFP-IRXDYDNUSA-N 2 1 334.508 3.035 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001752983754 1440257663 /nfs/dbraw/zinc/25/76/63/1440257663.db2.gz OOZFPHJVXFKSFP-IAGOWNOFSA-N 2 1 334.508 3.035 20 0 EGADMP CC/C=C\CC[N@H+](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001752998184 1440263324 /nfs/dbraw/zinc/26/33/24/1440263324.db2.gz AELVKEFQXNDNER-VOFKWLDRSA-N 2 1 346.519 3.251 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001752998184 1440263325 /nfs/dbraw/zinc/26/33/25/1440263325.db2.gz AELVKEFQXNDNER-VOFKWLDRSA-N 2 1 346.519 3.251 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001753000623 1440264353 /nfs/dbraw/zinc/26/43/53/1440264353.db2.gz SULJRXTYEVFNNR-IEBWSBKVSA-N 2 1 331.504 3.011 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)c2ccccc2)C1 ZINC001753000623 1440264354 /nfs/dbraw/zinc/26/43/54/1440264354.db2.gz SULJRXTYEVFNNR-IEBWSBKVSA-N 2 1 331.504 3.011 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2ccccc2)C1 ZINC001753000623 1440264355 /nfs/dbraw/zinc/26/43/55/1440264355.db2.gz SULJRXTYEVFNNR-IEBWSBKVSA-N 2 1 331.504 3.011 20 0 EGADMP Cc1ccc(C)c(C[NH+](C)[C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001753000689 1440264409 /nfs/dbraw/zinc/26/44/09/1440264409.db2.gz UOULYWSAOVFTGA-HXUWFJFHSA-N 2 1 345.531 3.066 20 0 EGADMP Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001753000689 1440264410 /nfs/dbraw/zinc/26/44/10/1440264410.db2.gz UOULYWSAOVFTGA-HXUWFJFHSA-N 2 1 345.531 3.066 20 0 EGADMP Cc1ccc(C)c(C[N@H+](C)[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001753000689 1440264411 /nfs/dbraw/zinc/26/44/11/1440264411.db2.gz UOULYWSAOVFTGA-HXUWFJFHSA-N 2 1 345.531 3.066 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC2CCC2)C1 ZINC001753034408 1440274042 /nfs/dbraw/zinc/27/40/42/1440274042.db2.gz HJTDSULRCONXOP-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CCC2)C1 ZINC001753034408 1440274043 /nfs/dbraw/zinc/27/40/43/1440274043.db2.gz HJTDSULRCONXOP-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC[C@@H]2CCC[N@H+]2CC2CCC2)C1 ZINC001753034408 1440274044 /nfs/dbraw/zinc/27/40/44/1440274044.db2.gz HJTDSULRCONXOP-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001753049408 1440278841 /nfs/dbraw/zinc/27/88/41/1440278841.db2.gz BCNUUWHWDACOSN-MRXNPFEDSA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001753061327 1440283692 /nfs/dbraw/zinc/28/36/92/1440283692.db2.gz GMAVUIDMULZGFH-IEZWGBDMSA-N 2 1 349.494 3.055 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753061327 1440283693 /nfs/dbraw/zinc/28/36/93/1440283693.db2.gz GMAVUIDMULZGFH-IEZWGBDMSA-N 2 1 349.494 3.055 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001753061327 1440283694 /nfs/dbraw/zinc/28/36/94/1440283694.db2.gz GMAVUIDMULZGFH-IEZWGBDMSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)CC1CCC(C(C)(C)C)CC1 ZINC001753071595 1440288820 /nfs/dbraw/zinc/28/88/20/1440288820.db2.gz URPMIGYFUWMZCV-UHFFFAOYSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC001753071595 1440288821 /nfs/dbraw/zinc/28/88/21/1440288821.db2.gz URPMIGYFUWMZCV-UHFFFAOYSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC001753071595 1440288822 /nfs/dbraw/zinc/28/88/22/1440288822.db2.gz URPMIGYFUWMZCV-UHFFFAOYSA-N 2 1 339.568 3.229 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)CCNC(=O)C[NH+]2CCCC2)cc1 ZINC001753073902 1440290066 /nfs/dbraw/zinc/29/00/66/1440290066.db2.gz QTFOLHIFQOOPSP-QGZVFWFLSA-N 2 1 331.504 3.015 20 0 EGADMP CC(C)[C@H](C(=O)NCC[N@@H+](C)CCC1=CCCCC1)[NH+]1CCCC1 ZINC001753074136 1440290181 /nfs/dbraw/zinc/29/01/81/1440290181.db2.gz AHEKELQGBSEYBZ-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001753105857 1440305987 /nfs/dbraw/zinc/30/59/87/1440305987.db2.gz IVIRKOAPULDDGI-IEBWSBKVSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001753105857 1440305988 /nfs/dbraw/zinc/30/59/88/1440305988.db2.gz IVIRKOAPULDDGI-IEBWSBKVSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001753105857 1440305989 /nfs/dbraw/zinc/30/59/89/1440305989.db2.gz IVIRKOAPULDDGI-IEBWSBKVSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@@H]2CNC(=O)CCC[NH+]2CCCC2)cs1 ZINC001753120720 1440313608 /nfs/dbraw/zinc/31/36/08/1440313608.db2.gz YPIVWVAOLJPMDU-GOSISDBHSA-N 2 1 349.544 3.013 20 0 EGADMP C[C@H](C(=O)NC[C@H]1CC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001753135021 1440318393 /nfs/dbraw/zinc/31/83/93/1440318393.db2.gz HAWQRPWSKZAEDE-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[NH2+][C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001753294278 1440351681 /nfs/dbraw/zinc/35/16/81/1440351681.db2.gz JGZUOCQNIFIDQW-YLJYHZDGSA-N 2 1 345.531 3.307 20 0 EGADMP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001753326690 1440366988 /nfs/dbraw/zinc/36/69/88/1440366988.db2.gz IJGSHYGKDJOYPI-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CCCC[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001753331439 1440369831 /nfs/dbraw/zinc/36/98/31/1440369831.db2.gz UDKBZKQNXGSCCO-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC[C@@H](CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001753331439 1440369832 /nfs/dbraw/zinc/36/98/32/1440369832.db2.gz UDKBZKQNXGSCCO-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC[C@@H](CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001753331439 1440369833 /nfs/dbraw/zinc/36/98/33/1440369833.db2.gz UDKBZKQNXGSCCO-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](c1ccccc1F)[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001753366008 1440385190 /nfs/dbraw/zinc/38/51/90/1440385190.db2.gz OUFPXNMCGQAKKP-INIZCTEOSA-N 2 1 349.494 3.009 20 0 EGADMP CC(C)CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001753365988 1440385300 /nfs/dbraw/zinc/38/53/00/1440385300.db2.gz UKKHTQTWLGHKRB-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001753365988 1440385301 /nfs/dbraw/zinc/38/53/01/1440385301.db2.gz UKKHTQTWLGHKRB-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001753365988 1440385302 /nfs/dbraw/zinc/38/53/02/1440385302.db2.gz UKKHTQTWLGHKRB-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001753428907 1440397889 /nfs/dbraw/zinc/39/78/89/1440397889.db2.gz FTRPXMNXMXHCNL-CEXWTWQISA-N 2 1 349.494 3.054 20 0 EGADMP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001753461095 1440410609 /nfs/dbraw/zinc/41/06/09/1440410609.db2.gz DDRPWVCCOMMTCG-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001753461095 1440410610 /nfs/dbraw/zinc/41/06/10/1440410610.db2.gz DDRPWVCCOMMTCG-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001753461095 1440410611 /nfs/dbraw/zinc/41/06/11/1440410611.db2.gz DDRPWVCCOMMTCG-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]CC1CCCCC1)C1CC1 ZINC001753518975 1440428056 /nfs/dbraw/zinc/42/80/56/1440428056.db2.gz UKMPOAWGMZLAGF-TZIWHRDSSA-N 2 1 349.563 3.314 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@]1(C[NH2+]CC2CCCC2)CCCC[C@@H]1C ZINC001753534907 1440432197 /nfs/dbraw/zinc/43/21/97/1440432197.db2.gz ABYARSJFYCWBJJ-PXNSSMCTSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C)cc2)CC1 ZINC001753587187 1440441660 /nfs/dbraw/zinc/44/16/60/1440441660.db2.gz QFKHEZVRURCWIQ-MXVIHJGJSA-N 2 1 345.531 3.244 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001753602007 1440446632 /nfs/dbraw/zinc/44/66/32/1440446632.db2.gz YDASFLYFVVBJGP-MGBKSAOESA-N 2 1 335.536 3.188 20 0 EGADMP CCCCC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CCC)CC2 ZINC001753602922 1440446973 /nfs/dbraw/zinc/44/69/73/1440446973.db2.gz HBMLUEOWYQIRAQ-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCC[NH+]1CCC2(C1)CCN(C(=O)CC[N@H+](C)CCC)CC2 ZINC001753602922 1440446974 /nfs/dbraw/zinc/44/69/74/1440446974.db2.gz HBMLUEOWYQIRAQ-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCC[NH+]1CCC2(C1)CCN(C(=O)CC[N@@H+](C)CCC)CC2 ZINC001753602922 1440446975 /nfs/dbraw/zinc/44/69/75/1440446975.db2.gz HBMLUEOWYQIRAQ-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC2(C[NH+](CC3CCC(C)CC3)C2)CC1 ZINC001753676625 1440463463 /nfs/dbraw/zinc/46/34/63/1440463463.db2.gz ACKLLZBKQCCQCY-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC2CCCCC2)C1 ZINC001753801205 1440490873 /nfs/dbraw/zinc/49/08/73/1440490873.db2.gz KRTRLDCOBAFJAB-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001753860870 1440511208 /nfs/dbraw/zinc/51/12/08/1440511208.db2.gz MUPYJAPZSKOAIV-BQFCYCMXSA-N 2 1 349.494 3.007 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753860870 1440511209 /nfs/dbraw/zinc/51/12/09/1440511209.db2.gz MUPYJAPZSKOAIV-BQFCYCMXSA-N 2 1 349.494 3.007 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001753860870 1440511210 /nfs/dbraw/zinc/51/12/10/1440511210.db2.gz MUPYJAPZSKOAIV-BQFCYCMXSA-N 2 1 349.494 3.007 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001753866333 1440514428 /nfs/dbraw/zinc/51/44/28/1440514428.db2.gz DVMKYZABWQFNGT-FQEVSTJZSA-N 2 1 345.531 3.260 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001753869186 1440516486 /nfs/dbraw/zinc/51/64/86/1440516486.db2.gz KJHOWLXPFPYCEZ-KRWDZBQOSA-N 2 1 349.494 3.153 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001753877627 1440519910 /nfs/dbraw/zinc/51/99/10/1440519910.db2.gz YMIKFCADRKXRAQ-OAHLLOKOSA-N 2 1 339.911 3.133 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001753877627 1440519911 /nfs/dbraw/zinc/51/99/11/1440519911.db2.gz YMIKFCADRKXRAQ-OAHLLOKOSA-N 2 1 339.911 3.133 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001753877627 1440519912 /nfs/dbraw/zinc/51/99/12/1440519912.db2.gz YMIKFCADRKXRAQ-OAHLLOKOSA-N 2 1 339.911 3.133 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CC2CCCCCC2)C1 ZINC001753878093 1440519929 /nfs/dbraw/zinc/51/99/29/1440519929.db2.gz NNSTYNVILJLMHR-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC2CCCCCC2)C1 ZINC001753878093 1440519930 /nfs/dbraw/zinc/51/99/30/1440519930.db2.gz NNSTYNVILJLMHR-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC2CCCCCC2)C1 ZINC001753878093 1440519931 /nfs/dbraw/zinc/51/99/31/1440519931.db2.gz NNSTYNVILJLMHR-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@@H]21 ZINC001753879033 1440520196 /nfs/dbraw/zinc/52/01/96/1440520196.db2.gz ZQMKWDVHFPHUMM-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCN(CC[NH2+]CC1CC(C)(C)C1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001754048925 1440535573 /nfs/dbraw/zinc/53/55/73/1440535573.db2.gz BELLYSRIGYTLEH-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001754228638 1440553633 /nfs/dbraw/zinc/55/36/33/1440553633.db2.gz MGYWLHSPUPCTLD-XLIONFOSSA-N 2 1 347.547 3.378 20 0 EGADMP Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)c1 ZINC001754231875 1440554174 /nfs/dbraw/zinc/55/41/74/1440554174.db2.gz FLADSAIEXCRWMS-QGZVFWFLSA-N 2 1 345.531 3.242 20 0 EGADMP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC001754285653 1440564165 /nfs/dbraw/zinc/56/41/65/1440564165.db2.gz GVAJRGRTPAMPTJ-ICSRJNTNSA-N 2 1 345.531 3.161 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001754350868 1440590758 /nfs/dbraw/zinc/59/07/58/1440590758.db2.gz GQUHIIHAKWEDJL-ZWKOTPCHSA-N 2 1 348.535 3.282 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001754374062 1440592808 /nfs/dbraw/zinc/59/28/08/1440592808.db2.gz VQSKFPNPFLCZBD-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C2CC2)c1 ZINC001754443449 1440599558 /nfs/dbraw/zinc/59/95/58/1440599558.db2.gz XYEFGQVIVLAZHC-JXFKEZNVSA-N 2 1 343.515 3.025 20 0 EGADMP CC(C)(C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCCC1)[NH+]1CCCC1 ZINC001754490464 1440610200 /nfs/dbraw/zinc/61/02/00/1440610200.db2.gz QEDMUGJELFIDRQ-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001754502111 1440614828 /nfs/dbraw/zinc/61/48/28/1440614828.db2.gz OUVQSHKFCYESLE-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+][C@@H](C)c3cccc(C)c3)CC2)CC[N@H+]1C ZINC001754514510 1440618203 /nfs/dbraw/zinc/61/82/03/1440618203.db2.gz CIPUJBKUEVOFAR-YTQUADARSA-N 2 1 343.515 3.025 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001754536471 1440624707 /nfs/dbraw/zinc/62/47/07/1440624707.db2.gz VCKWEMDDDQLSSM-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001754538605 1440625371 /nfs/dbraw/zinc/62/53/71/1440625371.db2.gz MYURBCBSAMUVLO-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001754540245 1440625910 /nfs/dbraw/zinc/62/59/10/1440625910.db2.gz XPQFZNTXKLYRIN-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001754540245 1440625911 /nfs/dbraw/zinc/62/59/11/1440625911.db2.gz XPQFZNTXKLYRIN-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001754540245 1440625912 /nfs/dbraw/zinc/62/59/12/1440625912.db2.gz XPQFZNTXKLYRIN-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001754546448 1440627825 /nfs/dbraw/zinc/62/78/25/1440627825.db2.gz LRTUNBBSLRKXAU-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001754557700 1440632401 /nfs/dbraw/zinc/63/24/01/1440632401.db2.gz LIYFJQRTDLDIJI-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@]2(C1)CCC[NH+](CCC(C)(C)C)C2 ZINC001754558342 1440632781 /nfs/dbraw/zinc/63/27/81/1440632781.db2.gz QIQXSMFINNMNNA-HXUWFJFHSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC(C)(C)C)C2 ZINC001754558342 1440632782 /nfs/dbraw/zinc/63/27/82/1440632782.db2.gz QIQXSMFINNMNNA-HXUWFJFHSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC(C)(C)C)C2 ZINC001754558342 1440632783 /nfs/dbraw/zinc/63/27/83/1440632783.db2.gz QIQXSMFINNMNNA-HXUWFJFHSA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C[C@H]1C ZINC001754604240 1440643054 /nfs/dbraw/zinc/64/30/54/1440643054.db2.gz VBQWODOASLKUNN-MJGOQNOKSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC1(C)CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001754629382 1440647333 /nfs/dbraw/zinc/64/73/33/1440647333.db2.gz AUMHJIUQUKELPB-KRWDZBQOSA-N 2 1 331.504 3.059 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)CC)C2 ZINC001754662134 1440655265 /nfs/dbraw/zinc/65/52/65/1440655265.db2.gz RJXMOFVWNNDSCG-HXUWFJFHSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001754662134 1440655266 /nfs/dbraw/zinc/65/52/66/1440655266.db2.gz RJXMOFVWNNDSCG-HXUWFJFHSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001754662134 1440655267 /nfs/dbraw/zinc/65/52/67/1440655267.db2.gz RJXMOFVWNNDSCG-HXUWFJFHSA-N 2 1 337.552 3.223 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCC2CCC2)C1 ZINC001754697041 1440667287 /nfs/dbraw/zinc/66/72/87/1440667287.db2.gz JNMJTMKGCPSDIO-CTNGQTDRSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001754707074 1440669339 /nfs/dbraw/zinc/66/93/39/1440669339.db2.gz JPJKNSGVXJPAFO-ICSRJNTNSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001754727849 1440677141 /nfs/dbraw/zinc/67/71/41/1440677141.db2.gz OOFQMDAJZZOCEL-LJQWKTEUSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@](C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001754727849 1440677142 /nfs/dbraw/zinc/67/71/42/1440677142.db2.gz OOFQMDAJZZOCEL-LJQWKTEUSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@](C)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001754727849 1440677143 /nfs/dbraw/zinc/67/71/43/1440677143.db2.gz OOFQMDAJZZOCEL-LJQWKTEUSA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@]2(C)CCC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001754730931 1440679194 /nfs/dbraw/zinc/67/91/94/1440679194.db2.gz ZQEPAHCWOXBVPK-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@]2(C)CCC[N@@H+](CC3CCCC3)C2)CC1 ZINC001754732239 1440680043 /nfs/dbraw/zinc/68/00/43/1440680043.db2.gz QIOOJGTXHPYHKY-NRFANRHFSA-N 2 1 349.563 3.127 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CC1)C2 ZINC001754783146 1440686811 /nfs/dbraw/zinc/68/68/11/1440686811.db2.gz JCYHMCZOFKZVDF-UFYCRDLUSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC001754980372 1440721211 /nfs/dbraw/zinc/72/12/11/1440721211.db2.gz AAPVQOQYWZONLH-ZWKOTPCHSA-N 2 1 349.563 3.316 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001755034205 1440733246 /nfs/dbraw/zinc/73/32/46/1440733246.db2.gz NHAKEDNWWASEIK-LJQANCHMSA-N 2 1 337.552 3.413 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[N@@H+](C)CCCC(C)(C)C ZINC001755047068 1440741804 /nfs/dbraw/zinc/74/18/04/1440741804.db2.gz DFNMLFTYBPRFGX-QZTJIDSGSA-N 2 1 339.568 3.466 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[C@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)CC1 ZINC001755079314 1440750276 /nfs/dbraw/zinc/75/02/76/1440750276.db2.gz HYALWWBPFAVMBM-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001755142933 1440761862 /nfs/dbraw/zinc/76/18/62/1440761862.db2.gz FELDMLYQCAEVHM-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]2C)c(C)c1 ZINC001755165080 1440766638 /nfs/dbraw/zinc/76/66/38/1440766638.db2.gz DXRJLPZTCLZSAX-QUCCMNQESA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C)c(C)c1 ZINC001755165080 1440766639 /nfs/dbraw/zinc/76/66/39/1440766639.db2.gz DXRJLPZTCLZSAX-QUCCMNQESA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C)c(C)c1 ZINC001755165080 1440766640 /nfs/dbraw/zinc/76/66/40/1440766640.db2.gz DXRJLPZTCLZSAX-QUCCMNQESA-N 2 1 345.531 3.113 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H]2C[N@H+](C)CCCC2CCCC2)C1 ZINC001755199449 1440778704 /nfs/dbraw/zinc/77/87/04/1440778704.db2.gz WTMDYLCLTIKOME-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H]2C[N@@H+](C)CCCC2CCCC2)C1 ZINC001755199449 1440778705 /nfs/dbraw/zinc/77/87/05/1440778705.db2.gz WTMDYLCLTIKOME-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CN(CC(C)(C)C[NH2+]CC1CCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001755286398 1440802229 /nfs/dbraw/zinc/80/22/29/1440802229.db2.gz UNWMNZWUEALSLO-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]2CCC[NH+]2C(C)C)c1 ZINC001755300525 1440808228 /nfs/dbraw/zinc/80/82/28/1440808228.db2.gz RQAQDRHCLRYOOE-FXAWDEMLSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1cccc(C[NH+](C)[C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001755300525 1440808229 /nfs/dbraw/zinc/80/82/29/1440808229.db2.gz RQAQDRHCLRYOOE-FXAWDEMLSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1cccc(C[NH+](C)[C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001755300525 1440808230 /nfs/dbraw/zinc/80/82/30/1440808230.db2.gz RQAQDRHCLRYOOE-FXAWDEMLSA-N 2 1 345.531 3.058 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(F)cc1 ZINC001755319874 1440817970 /nfs/dbraw/zinc/81/79/70/1440817970.db2.gz LCPZYHBLACSUNF-LPHOPBHVSA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(F)cc1 ZINC001755319874 1440817971 /nfs/dbraw/zinc/81/79/71/1440817971.db2.gz LCPZYHBLACSUNF-LPHOPBHVSA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(F)cc1 ZINC001755319874 1440817972 /nfs/dbraw/zinc/81/79/72/1440817972.db2.gz LCPZYHBLACSUNF-LPHOPBHVSA-N 2 1 349.494 3.025 20 0 EGADMP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001755327075 1440822200 /nfs/dbraw/zinc/82/22/00/1440822200.db2.gz DQUORGYYOKPHNW-IRXDYDNUSA-N 2 1 349.494 3.199 20 0 EGADMP CCc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001755328514 1440823137 /nfs/dbraw/zinc/82/31/37/1440823137.db2.gz QQZNOWOPCRAZCA-SFHVURJKSA-N 2 1 345.531 3.062 20 0 EGADMP CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC001755351003 1440827795 /nfs/dbraw/zinc/82/77/95/1440827795.db2.gz PYHUVLMDVOVXJO-QGZVFWFLSA-N 2 1 335.536 3.070 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001755452516 1440854198 /nfs/dbraw/zinc/85/41/98/1440854198.db2.gz JRTQMIWYELMUEW-OTWHNJEPSA-N 2 1 347.547 3.022 20 0 EGADMP CCCCCC[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001755530093 1440866867 /nfs/dbraw/zinc/86/68/67/1440866867.db2.gz RYPVFQGUPMETTQ-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001755530093 1440866868 /nfs/dbraw/zinc/86/68/68/1440866868.db2.gz RYPVFQGUPMETTQ-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001755530093 1440866869 /nfs/dbraw/zinc/86/68/69/1440866869.db2.gz RYPVFQGUPMETTQ-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@@H](C(=O)N1CCC([N@@H+](C)CCC(C)C)CC1)[NH+](CC)CC ZINC001755533115 1440868290 /nfs/dbraw/zinc/86/82/90/1440868290.db2.gz JPLDJVDQLZRLAQ-SFHVURJKSA-N 2 1 325.541 3.076 20 0 EGADMP C[C@@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CCC1=CCCCC1 ZINC001755603837 1440884772 /nfs/dbraw/zinc/88/47/72/1440884772.db2.gz JMNIYIGHVXRLJU-KRWDZBQOSA-N 2 1 337.552 3.291 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C[C@@H]1C ZINC001755693820 1440897395 /nfs/dbraw/zinc/89/73/95/1440897395.db2.gz RSNWTJTUZSTOIE-FUHWJXTLSA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@@H](C(=O)N[C@@]12CCC[C@H]1[N@@H+](CCC1CCCC1)CC2)[NH+](C)C ZINC001755699517 1440899113 /nfs/dbraw/zinc/89/91/13/1440899113.db2.gz BYWJXQMBVCBBFU-NLWGTHIKSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1CC1CCC(C)(C)CC1 ZINC001755720349 1440906999 /nfs/dbraw/zinc/90/69/99/1440906999.db2.gz DUODFSIRXRJLMB-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001755724866 1440909017 /nfs/dbraw/zinc/90/90/17/1440909017.db2.gz YVOUPKHNUQORNT-IBQUMJASSA-N 2 1 346.519 3.332 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001755724866 1440909018 /nfs/dbraw/zinc/90/90/18/1440909018.db2.gz YVOUPKHNUQORNT-IBQUMJASSA-N 2 1 346.519 3.332 20 0 EGADMP Cc1cccc(C)c1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001755749611 1440913083 /nfs/dbraw/zinc/91/30/83/1440913083.db2.gz LPXUNBCXDCWTRP-RBUKOAKNSA-N 2 1 345.531 3.018 20 0 EGADMP CCCCC[NH+]1CCC([C@@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001755843310 1440932354 /nfs/dbraw/zinc/93/23/54/1440932354.db2.gz CGVMURGZVAPZIX-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CC[N@H+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001755899832 1440943769 /nfs/dbraw/zinc/94/37/69/1440943769.db2.gz WCAAGXZKSZHIGY-HXUWFJFHSA-N 2 1 343.515 3.084 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001755899832 1440943770 /nfs/dbraw/zinc/94/37/70/1440943770.db2.gz WCAAGXZKSZHIGY-HXUWFJFHSA-N 2 1 343.515 3.084 20 0 EGADMP c1cncc(C[N@@H+]2CCC3(C2)CCN(c2ccc4c([nH+]2)CCC4)CC3)c1 ZINC001164952028 722015629 /nfs/dbraw/zinc/01/56/29/722015629.db2.gz GIJGQHUZGWHKSV-UHFFFAOYSA-N 2 1 348.494 3.458 20 0 EGADMP c1cncc(C[N@H+]2CCC3(C2)CCN(c2ccc4c([nH+]2)CCC4)CC3)c1 ZINC001164952028 722015631 /nfs/dbraw/zinc/01/56/31/722015631.db2.gz GIJGQHUZGWHKSV-UHFFFAOYSA-N 2 1 348.494 3.458 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000368531040 168368457 /nfs/dbraw/zinc/36/84/57/168368457.db2.gz SDYKAFBJIQXQGT-GIVPXCGWSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000368531040 168368460 /nfs/dbraw/zinc/36/84/60/168368460.db2.gz SDYKAFBJIQXQGT-GIVPXCGWSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000368531040 168368461 /nfs/dbraw/zinc/36/84/61/168368461.db2.gz SDYKAFBJIQXQGT-GIVPXCGWSA-N 3 1 329.532 3.219 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187967884 530053636 /nfs/dbraw/zinc/05/36/36/530053636.db2.gz TWCIINJSQODBBT-LEWJYISDSA-N 2 1 329.532 3.114 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187967861 530053750 /nfs/dbraw/zinc/05/37/50/530053750.db2.gz TWCIINJSQODBBT-SFTDATJTSA-N 2 1 329.532 3.114 20 0 EGADMP COc1sc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1Br ZINC000564319818 316135409 /nfs/dbraw/zinc/13/54/09/316135409.db2.gz NRENLJIGVLGFKR-LLVKDONJSA-N 2 1 347.322 3.339 20 0 EGADMP COc1sc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1Br ZINC000564319818 316135411 /nfs/dbraw/zinc/13/54/11/316135411.db2.gz NRENLJIGVLGFKR-LLVKDONJSA-N 2 1 347.322 3.339 20 0 EGADMP Cc1cncc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000189917519 237399003 /nfs/dbraw/zinc/39/90/03/237399003.db2.gz LHIVMFIYUSRHOG-HDICACEKSA-N 2 1 331.504 3.101 20 0 EGADMP [NH3+]Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000238065301 201151110 /nfs/dbraw/zinc/15/11/10/201151110.db2.gz RTASGFJICOHYBG-SEJPIABJSA-N 2 1 349.478 3.071 20 0 EGADMP COc1ccc(Br)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252854980 201184860 /nfs/dbraw/zinc/18/48/60/201184860.db2.gz JYOHPVAMDPKLAZ-PJODQICGSA-N 2 1 339.277 3.017 20 0 EGADMP COc1ccc(Br)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252854980 201184862 /nfs/dbraw/zinc/18/48/62/201184862.db2.gz JYOHPVAMDPKLAZ-PJODQICGSA-N 2 1 339.277 3.017 20 0 EGADMP CCn1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272329230 201250111 /nfs/dbraw/zinc/25/01/11/201250111.db2.gz MRQFGJBYVSDQNA-ZIFCJYIRSA-N 2 1 326.488 3.464 20 0 EGADMP C[C@@H](NC1CC[NH+](C2CC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274924634 201273926 /nfs/dbraw/zinc/27/39/26/201273926.db2.gz PPWITBKFPGHSBP-MJGOQNOKSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]([NH2+]C1CCN(C2CC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274924634 201273928 /nfs/dbraw/zinc/27/39/28/201273928.db2.gz PPWITBKFPGHSBP-MJGOQNOKSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]([NH2+]C1CCN(C2CC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274924634 201273931 /nfs/dbraw/zinc/27/39/31/201273931.db2.gz PPWITBKFPGHSBP-MJGOQNOKSA-N 2 1 327.516 3.113 20 0 EGADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000297676365 201353809 /nfs/dbraw/zinc/35/38/09/201353809.db2.gz OWQAPGLZYUXQSN-NRFANRHFSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000297676365 201353813 /nfs/dbraw/zinc/35/38/13/201353813.db2.gz OWQAPGLZYUXQSN-NRFANRHFSA-N 2 1 329.532 3.359 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)[C@@H](C)C1 ZINC000236865039 242388907 /nfs/dbraw/zinc/38/89/07/242388907.db2.gz UEOVNYNOCQHVPL-QFBILLFUSA-N 2 1 329.488 3.395 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCSc2ccccc2)CC1 ZINC000071910852 203147657 /nfs/dbraw/zinc/14/76/57/203147657.db2.gz GRGZZLUWUCKTJI-RTBURBONSA-N 2 1 347.572 3.269 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cn3cccnc3n2)CC1 ZINC000103143026 204063459 /nfs/dbraw/zinc/06/34/59/204063459.db2.gz YEHREYRVLQXUPI-UHFFFAOYSA-N 2 1 349.482 3.073 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1csc(Br)c1 ZINC000105443089 204145355 /nfs/dbraw/zinc/14/53/55/204145355.db2.gz UZXWGRXSAXQDNB-JTQLQIEISA-N 2 1 328.279 3.441 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000263261076 245374182 /nfs/dbraw/zinc/37/41/82/245374182.db2.gz MKNGJKAPSFMMOJ-UZLBHIALSA-N 2 1 339.483 3.091 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)CC[N@@H+]1C ZINC000126008328 205036500 /nfs/dbraw/zinc/03/65/00/205036500.db2.gz BPDPZQVZFBFZOR-YJBOKZPZSA-N 2 1 329.488 3.388 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)CC[N@H+]1C ZINC000126008328 205036502 /nfs/dbraw/zinc/03/65/02/205036502.db2.gz BPDPZQVZFBFZOR-YJBOKZPZSA-N 2 1 329.488 3.388 20 0 EGADMP CSc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1F ZINC000128337515 205143452 /nfs/dbraw/zinc/14/34/52/205143452.db2.gz UNGLTZHVQMZKDK-HNNXBMFYSA-N 2 1 339.524 3.226 20 0 EGADMP Cc1nccn1CCC[N@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000130642531 205248930 /nfs/dbraw/zinc/24/89/30/205248930.db2.gz VMQCCLUESHGOPH-UHFFFAOYSA-N 2 1 339.443 3.196 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000130642531 205248933 /nfs/dbraw/zinc/24/89/33/205248933.db2.gz VMQCCLUESHGOPH-UHFFFAOYSA-N 2 1 339.443 3.196 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000130642531 205248936 /nfs/dbraw/zinc/24/89/36/205248936.db2.gz VMQCCLUESHGOPH-UHFFFAOYSA-N 2 1 339.443 3.196 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC000343752598 284370417 /nfs/dbraw/zinc/37/04/17/284370417.db2.gz IHNCRKXGIWDASC-SFHVURJKSA-N 2 1 331.504 3.060 20 0 EGADMP C[NH+]1CCC(N(CCO)Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000155504340 206011701 /nfs/dbraw/zinc/01/17/01/206011701.db2.gz RNSKIQUKMQHGNI-UHFFFAOYSA-N 2 1 348.487 3.443 20 0 EGADMP CC1(C)[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H]2CCO[C@@H]21 ZINC000161941155 206377053 /nfs/dbraw/zinc/37/70/53/206377053.db2.gz MPUYWCDFOQNCFJ-AQNXPRMDSA-N 2 1 328.500 3.097 20 0 EGADMP CSc1cc2c(cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C)OCCO2 ZINC000266168002 248145369 /nfs/dbraw/zinc/14/53/69/248145369.db2.gz BDJDJGHIUAEYKW-CYBMUJFWSA-N 2 1 347.484 3.111 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000266460031 248311782 /nfs/dbraw/zinc/31/17/82/248311782.db2.gz ZIEZDFCMGYYOSN-IBGZPJMESA-N 2 1 343.515 3.086 20 0 EGADMP CC(C)CCn1cccc1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377632529 169051652 /nfs/dbraw/zinc/05/16/52/169051652.db2.gz STLYRURXWJETMT-FQEVSTJZSA-N 2 1 346.563 3.135 20 0 EGADMP CC(C)CCn1cccc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377632529 169051654 /nfs/dbraw/zinc/05/16/54/169051654.db2.gz STLYRURXWJETMT-FQEVSTJZSA-N 2 1 346.563 3.135 20 0 EGADMP CN(CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000177373674 207327727 /nfs/dbraw/zinc/32/77/27/207327727.db2.gz OFZPKLUJIFYFLJ-UHFFFAOYSA-N 2 1 343.437 3.163 20 0 EGADMP Cc1n[nH]cc1CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268740553 252190609 /nfs/dbraw/zinc/19/06/09/252190609.db2.gz CXNJUTOJBPMODW-UHFFFAOYSA-N 2 1 344.478 3.087 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCOCc2ccccc2)[C@H](C)C1 ZINC000268750420 252202255 /nfs/dbraw/zinc/20/22/55/252202255.db2.gz UVHSBDJHPDMANU-TZIWHRDSSA-N 2 1 348.531 3.320 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000268763153 252213336 /nfs/dbraw/zinc/21/33/36/252213336.db2.gz IFVYVDUTBJGXCT-KFKAGJAMSA-N 2 1 344.503 3.494 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000268763153 252213339 /nfs/dbraw/zinc/21/33/39/252213339.db2.gz IFVYVDUTBJGXCT-KFKAGJAMSA-N 2 1 344.503 3.494 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3ccc(OC)cc32)CC1 ZINC000268820829 252270777 /nfs/dbraw/zinc/27/07/77/252270777.db2.gz NZOAVAPYHPYACC-NRFANRHFSA-N 2 1 345.531 3.080 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000268868675 252317264 /nfs/dbraw/zinc/31/72/64/252317264.db2.gz LBFXPVULDWSNIA-SJORKVTESA-N 2 1 342.487 3.015 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)CCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000237539880 141007265 /nfs/dbraw/zinc/00/72/65/141007265.db2.gz ILENKOHPWXBYAH-HKUYNNGSSA-N 2 1 331.504 3.065 20 0 EGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(F)cccc3N3CCCC3)CC[C@H]21 ZINC000246817880 141036971 /nfs/dbraw/zinc/03/69/71/141036971.db2.gz RGGJCMSTIUDYLW-VQIMIIECSA-N 2 1 331.479 3.342 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(F)cccc3N3CCCC3)CC[C@H]21 ZINC000246817880 141036972 /nfs/dbraw/zinc/03/69/72/141036972.db2.gz RGGJCMSTIUDYLW-VQIMIIECSA-N 2 1 331.479 3.342 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(F)cccc3N3CCCC3)CC[C@H]21 ZINC000246817880 141036973 /nfs/dbraw/zinc/03/69/73/141036973.db2.gz RGGJCMSTIUDYLW-VQIMIIECSA-N 2 1 331.479 3.342 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(F)cccc3N3CCCC3)CC[C@H]21 ZINC000246817880 141036974 /nfs/dbraw/zinc/03/69/74/141036974.db2.gz RGGJCMSTIUDYLW-VQIMIIECSA-N 2 1 331.479 3.342 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000338100445 141094293 /nfs/dbraw/zinc/09/42/93/141094293.db2.gz NNWOXSGVTCHCJG-UXHICEINSA-N 2 1 343.515 3.275 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000338100445 141094294 /nfs/dbraw/zinc/09/42/94/141094294.db2.gz NNWOXSGVTCHCJG-UXHICEINSA-N 2 1 343.515 3.275 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000338100445 141094295 /nfs/dbraw/zinc/09/42/95/141094295.db2.gz NNWOXSGVTCHCJG-UXHICEINSA-N 2 1 343.515 3.275 20 0 EGADMP Cc1cnc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC000344462830 141157976 /nfs/dbraw/zinc/15/79/76/141157976.db2.gz NMWCXOLGYQQFSV-UHFFFAOYSA-N 2 1 331.485 3.216 20 0 EGADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000178209936 144066328 /nfs/dbraw/zinc/06/63/28/144066328.db2.gz NHMDBOBVVMQAHM-IFXJQAMLSA-N 2 1 341.430 3.449 20 0 EGADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000178209936 144066330 /nfs/dbraw/zinc/06/63/30/144066330.db2.gz NHMDBOBVVMQAHM-IFXJQAMLSA-N 2 1 341.430 3.449 20 0 EGADMP CN(Cc1cc(O)cc(F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186223721 144127425 /nfs/dbraw/zinc/12/74/25/144127425.db2.gz ZDOWOCRJXIENKH-KRWDZBQOSA-N 2 1 328.431 3.485 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)CC[N@@H+]1C ZINC000186847966 144144705 /nfs/dbraw/zinc/14/47/05/144144705.db2.gz OAEIKHZEGRWVLT-RBSFLKMASA-N 2 1 341.421 3.356 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)CC[N@H+]1C ZINC000186847966 144144706 /nfs/dbraw/zinc/14/47/06/144144706.db2.gz OAEIKHZEGRWVLT-RBSFLKMASA-N 2 1 341.421 3.356 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CC[N@H+]1C ZINC000344686483 144209813 /nfs/dbraw/zinc/20/98/13/144209813.db2.gz SEIKGKXKKLBJPU-VQIMIIECSA-N 2 1 325.456 3.233 20 0 EGADMP CC(C)CCn1cccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000344795945 144226214 /nfs/dbraw/zinc/22/62/14/144226214.db2.gz PYLUEOSZPZFXRZ-VQTJNVASSA-N 2 1 333.520 3.002 20 0 EGADMP CC[NH+](CC)Cc1cccc(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000344812727 144226708 /nfs/dbraw/zinc/22/67/08/144226708.db2.gz XCXAYCVZCCVANX-CALCHBBNSA-N 2 1 331.504 3.017 20 0 EGADMP C[C@H](CCNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000351495399 144269404 /nfs/dbraw/zinc/26/94/04/144269404.db2.gz TWPUCQDHHRTAFF-AKHDSKFASA-N 2 1 345.531 3.275 20 0 EGADMP C[C@H](CCNC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000351495399 144269405 /nfs/dbraw/zinc/26/94/05/144269405.db2.gz TWPUCQDHHRTAFF-AKHDSKFASA-N 2 1 345.531 3.275 20 0 EGADMP C[C@H](CCNC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000351495399 144269406 /nfs/dbraw/zinc/26/94/06/144269406.db2.gz TWPUCQDHHRTAFF-AKHDSKFASA-N 2 1 345.531 3.275 20 0 EGADMP CN(C[C@@H](O)C[N@@H+](CCc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351522546 144274115 /nfs/dbraw/zinc/27/41/15/144274115.db2.gz LTPWYMPOKNICFL-HXUWFJFHSA-N 2 1 334.479 3.068 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH+](CCc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351522546 144274117 /nfs/dbraw/zinc/27/41/17/144274117.db2.gz LTPWYMPOKNICFL-HXUWFJFHSA-N 2 1 334.479 3.068 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH+](CCc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351522546 144274118 /nfs/dbraw/zinc/27/41/18/144274118.db2.gz LTPWYMPOKNICFL-HXUWFJFHSA-N 2 1 334.479 3.068 20 0 EGADMP C[NH+](C[C@@H](O)C[N@H+](CCc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351522546 144274120 /nfs/dbraw/zinc/27/41/20/144274120.db2.gz LTPWYMPOKNICFL-HXUWFJFHSA-N 2 1 334.479 3.068 20 0 EGADMP C[NH+](C[C@@H](O)C[N@@H+](CCc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000351522546 144274122 /nfs/dbraw/zinc/27/41/22/144274122.db2.gz LTPWYMPOKNICFL-HXUWFJFHSA-N 2 1 334.479 3.068 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000351575190 144282673 /nfs/dbraw/zinc/28/26/73/144282673.db2.gz RIHPXHFQLORPJM-SJORKVTESA-N 2 1 344.421 3.447 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000351575190 144282675 /nfs/dbraw/zinc/28/26/75/144282675.db2.gz RIHPXHFQLORPJM-SJORKVTESA-N 2 1 344.421 3.447 20 0 EGADMP CC[N@@H+](CCCN1CCN(c2ccccc2)CC1)Cc1ccncc1 ZINC000351769518 144303780 /nfs/dbraw/zinc/30/37/80/144303780.db2.gz ZCPUBTQIDQWEBC-UHFFFAOYSA-N 2 1 338.499 3.116 20 0 EGADMP CCN(CCC[NH+]1CCN(c2ccccc2)CC1)Cc1ccncc1 ZINC000351769518 144303781 /nfs/dbraw/zinc/30/37/81/144303781.db2.gz ZCPUBTQIDQWEBC-UHFFFAOYSA-N 2 1 338.499 3.116 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000361710671 144352522 /nfs/dbraw/zinc/35/25/22/144352522.db2.gz CBLIGAUNMMNYLM-UHFFFAOYSA-N 2 1 326.488 3.485 20 0 EGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363925556 144376966 /nfs/dbraw/zinc/37/69/66/144376966.db2.gz UGLFORZXBBHECO-KBRIMQKVSA-N 2 1 335.879 3.274 20 0 EGADMP CC[C@]1(C)C[C@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363965492 144380132 /nfs/dbraw/zinc/38/01/32/144380132.db2.gz PFGZGNPYQUIPAV-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)COc1ccccc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000341151394 155193199 /nfs/dbraw/zinc/19/31/99/155193199.db2.gz YPHBRJLEWLNJBN-UHFFFAOYSA-N 2 1 347.547 3.179 20 0 EGADMP CC(C)COc1ccccc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000341151394 155193203 /nfs/dbraw/zinc/19/32/03/155193203.db2.gz YPHBRJLEWLNJBN-UHFFFAOYSA-N 2 1 347.547 3.179 20 0 EGADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000341442902 155294321 /nfs/dbraw/zinc/29/43/21/155294321.db2.gz SHYUQWYNXUGEFF-GOSISDBHSA-N 2 1 344.547 3.146 20 0 EGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000341442902 155294324 /nfs/dbraw/zinc/29/43/24/155294324.db2.gz SHYUQWYNXUGEFF-GOSISDBHSA-N 2 1 344.547 3.146 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000237220740 286313869 /nfs/dbraw/zinc/31/38/69/286313869.db2.gz MNRSWLXVQCAYCV-SJORKVTESA-N 2 1 334.504 3.489 20 0 EGADMP CSc1ccc([C@@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)[NH+](C)C)cc1 ZINC000341549113 155348033 /nfs/dbraw/zinc/34/80/33/155348033.db2.gz DNCNYVCHYVODCS-RVKKMQEKSA-N 2 1 349.544 3.000 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2COC)[C@H](C)C1 ZINC000122048814 152387526 /nfs/dbraw/zinc/38/75/26/152387526.db2.gz JCQXYUSZCBJAPZ-XLIONFOSSA-N 2 1 334.504 3.060 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000305145565 154087028 /nfs/dbraw/zinc/08/70/28/154087028.db2.gz RQPGDAPRHVIITR-RDJZCZTQSA-N 2 1 338.492 3.189 20 0 EGADMP C[C@H]([NH2+]CCOCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309932308 154139791 /nfs/dbraw/zinc/13/97/91/154139791.db2.gz WSVLORTVMRWJER-GOEBONIOSA-N 2 1 330.394 3.066 20 0 EGADMP COC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000336667932 154209772 /nfs/dbraw/zinc/20/97/72/154209772.db2.gz ACXCCXAHNFLXOE-NMBAIYOOSA-N 2 1 328.500 3.444 20 0 EGADMP CC(=O)c1ccccc1OCC[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000336722566 154212399 /nfs/dbraw/zinc/21/23/99/154212399.db2.gz DEVDXARWYIDIJB-UHFFFAOYSA-N 2 1 326.440 3.119 20 0 EGADMP CC(=O)c1ccccc1OCC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000336722566 154212402 /nfs/dbraw/zinc/21/24/02/154212402.db2.gz DEVDXARWYIDIJB-UHFFFAOYSA-N 2 1 326.440 3.119 20 0 EGADMP COCC1(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000336731198 154212455 /nfs/dbraw/zinc/21/24/55/154212455.db2.gz YOSGUSPKAIUYKF-UXHICEINSA-N 2 1 328.500 3.257 20 0 EGADMP COCC1(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000336731198 154212460 /nfs/dbraw/zinc/21/24/60/154212460.db2.gz YOSGUSPKAIUYKF-UXHICEINSA-N 2 1 328.500 3.257 20 0 EGADMP COCC1(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000336731198 154212463 /nfs/dbraw/zinc/21/24/63/154212463.db2.gz YOSGUSPKAIUYKF-UXHICEINSA-N 2 1 328.500 3.257 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@H+](C)CCC[NH+]3CCCC3)cc2)n1 ZINC000337282187 154257904 /nfs/dbraw/zinc/25/79/04/154257904.db2.gz XDCVLXZFFZJPNH-UHFFFAOYSA-N 2 1 326.488 3.407 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@@H+](C)CCC[NH+]3CCCC3)cc2)n1 ZINC000337282187 154257908 /nfs/dbraw/zinc/25/79/08/154257908.db2.gz XDCVLXZFFZJPNH-UHFFFAOYSA-N 2 1 326.488 3.407 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000337472169 154369824 /nfs/dbraw/zinc/36/98/24/154369824.db2.gz WNACGBMVIWCIFG-KRWDZBQOSA-N 2 1 342.487 3.123 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000337472169 154369827 /nfs/dbraw/zinc/36/98/27/154369827.db2.gz WNACGBMVIWCIFG-KRWDZBQOSA-N 2 1 342.487 3.123 20 0 EGADMP C[C@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCC[N@H+]1C ZINC000346803574 156140355 /nfs/dbraw/zinc/14/03/55/156140355.db2.gz FZWOGWWEHQCTNE-KXEVLKFVSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC[NH+]1C ZINC000346803574 156140359 /nfs/dbraw/zinc/14/03/59/156140359.db2.gz FZWOGWWEHQCTNE-KXEVLKFVSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC[NH+]1C ZINC000346803574 156140365 /nfs/dbraw/zinc/14/03/65/156140365.db2.gz FZWOGWWEHQCTNE-KXEVLKFVSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCN1C ZINC000346803574 156140368 /nfs/dbraw/zinc/14/03/68/156140368.db2.gz FZWOGWWEHQCTNE-KXEVLKFVSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCN1C ZINC000346803574 156140373 /nfs/dbraw/zinc/14/03/73/156140373.db2.gz FZWOGWWEHQCTNE-KXEVLKFVSA-N 2 1 327.516 3.254 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3F)C[C@H]21 ZINC000346821621 156152857 /nfs/dbraw/zinc/15/28/57/156152857.db2.gz IZLYCRMUTKPLFS-YVWKXTFCSA-N 2 1 325.431 3.447 20 0 EGADMP CCCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000346849014 156162467 /nfs/dbraw/zinc/16/24/67/156162467.db2.gz GFHOXCSVAYFJQC-BZSNNMDCSA-N 2 1 332.488 3.433 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(Cl)cccc3N3CCCC3)C[C@H]21 ZINC000346851305 156165288 /nfs/dbraw/zinc/16/52/88/156165288.db2.gz VUGLJNQSPQBZOF-IIDMSEBBSA-N 2 1 333.907 3.499 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000349147935 156367572 /nfs/dbraw/zinc/36/75/72/156367572.db2.gz ZYOHPBKCFCWCQO-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000349147935 156367575 /nfs/dbraw/zinc/36/75/75/156367575.db2.gz ZYOHPBKCFCWCQO-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000349147935 156367578 /nfs/dbraw/zinc/36/75/78/156367578.db2.gz ZYOHPBKCFCWCQO-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+]1CCC([NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000354455574 156534146 /nfs/dbraw/zinc/53/41/46/156534146.db2.gz DLSPUJTYJGSKDS-UHFFFAOYSA-N 2 1 330.259 3.006 20 0 EGADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(C)ccc1OC ZINC000093405313 162007561 /nfs/dbraw/zinc/00/75/61/162007561.db2.gz LPRCJVCKUSVISO-HXUWFJFHSA-N 2 1 347.547 3.318 20 0 EGADMP C[NH2+]CCC[N@H+](C)CCOc1ccc(Cl)cc1Br ZINC000124988039 162261122 /nfs/dbraw/zinc/26/11/22/162261122.db2.gz JZPQTUSYLYIJDQ-UHFFFAOYSA-N 2 1 335.673 3.023 20 0 EGADMP C[NH2+]CCC[N@@H+](C)CCOc1ccc(Cl)cc1Br ZINC000124988039 162261124 /nfs/dbraw/zinc/26/11/24/162261124.db2.gz JZPQTUSYLYIJDQ-UHFFFAOYSA-N 2 1 335.673 3.023 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000125415667 162274427 /nfs/dbraw/zinc/27/44/27/162274427.db2.gz BMTBXUKGDAKKRS-OAHLLOKOSA-N 2 1 349.500 3.068 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000125415667 162274431 /nfs/dbraw/zinc/27/44/31/162274431.db2.gz BMTBXUKGDAKKRS-OAHLLOKOSA-N 2 1 349.500 3.068 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248404766 163001773 /nfs/dbraw/zinc/00/17/73/163001773.db2.gz QRMJVIVPLJKPLN-ZBRFXRBCSA-N 2 1 335.536 3.017 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCC[C@@H]5OCC[C@H]54)[C@H]3C2)cc1 ZINC000248411332 163001778 /nfs/dbraw/zinc/00/17/78/163001778.db2.gz ICQYBUFWEZXHNB-BPIQYHPVSA-N 2 1 340.511 3.444 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(F)c1F ZINC000248440383 163005508 /nfs/dbraw/zinc/00/55/08/163005508.db2.gz JKBFUFBUMZIDAX-WMLDXEAASA-N 2 1 346.421 3.382 20 0 EGADMP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]2CCCO[C@H]21 ZINC000248832841 163037923 /nfs/dbraw/zinc/03/79/23/163037923.db2.gz FTEMRRXPYBOORZ-MTQWCTHYSA-N 2 1 328.500 3.302 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000249116875 163056595 /nfs/dbraw/zinc/05/65/95/163056595.db2.gz SKFMVNCUALOYIL-IYWMVGAKSA-N 2 1 326.484 3.056 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000249158721 163059174 /nfs/dbraw/zinc/05/91/74/163059174.db2.gz XWZXAGSAVHBJDT-SJLPKXTDSA-N 2 1 327.476 3.138 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000249158721 163059178 /nfs/dbraw/zinc/05/91/78/163059178.db2.gz XWZXAGSAVHBJDT-SJLPKXTDSA-N 2 1 327.476 3.138 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CCCO1 ZINC000337267921 163187445 /nfs/dbraw/zinc/18/74/45/163187445.db2.gz WYHVIGXMXHYVIN-QWFCFKBJSA-N 2 1 331.504 3.198 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CCCO1 ZINC000337267921 163187451 /nfs/dbraw/zinc/18/74/51/163187451.db2.gz WYHVIGXMXHYVIN-QWFCFKBJSA-N 2 1 331.504 3.198 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NC[C@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC000354375869 166012507 /nfs/dbraw/zinc/01/25/07/166012507.db2.gz IWQDKPUSDIUXFJ-MJGOQNOKSA-N 2 1 343.471 3.082 20 0 EGADMP C[C@@H](C(=O)N[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000343775028 164031750 /nfs/dbraw/zinc/03/17/50/164031750.db2.gz TZGYFJKHVOGKGD-GJNTUIEKSA-N 2 1 343.515 3.027 20 0 EGADMP C[C@@H](C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000343775028 164031754 /nfs/dbraw/zinc/03/17/54/164031754.db2.gz TZGYFJKHVOGKGD-GJNTUIEKSA-N 2 1 343.515 3.027 20 0 EGADMP C[C@@H](C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000343775028 164031755 /nfs/dbraw/zinc/03/17/55/164031755.db2.gz TZGYFJKHVOGKGD-GJNTUIEKSA-N 2 1 343.515 3.027 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000354807569 166036899 /nfs/dbraw/zinc/03/68/99/166036899.db2.gz DSXNFDKSOFBJSK-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000354807569 166036901 /nfs/dbraw/zinc/03/69/01/166036901.db2.gz DSXNFDKSOFBJSK-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000354807569 166036903 /nfs/dbraw/zinc/03/69/03/166036903.db2.gz DSXNFDKSOFBJSK-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc3c(c2)nnn3C)c1 ZINC000343878696 164055851 /nfs/dbraw/zinc/05/58/51/164055851.db2.gz WPGGKXNVPWHFPA-UHFFFAOYSA-N 2 1 337.471 3.098 20 0 EGADMP CC(C)[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccco1)[NH+]1CCCCC1 ZINC000344036939 164087941 /nfs/dbraw/zinc/08/79/41/164087941.db2.gz VVLASUOPFDXVQB-IBGZPJMESA-N 2 1 349.519 3.070 20 0 EGADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc2c(c1)CCC2 ZINC000344115843 164106843 /nfs/dbraw/zinc/10/68/43/164106843.db2.gz AIRPMTUMDUXHJS-UHFFFAOYSA-N 2 1 329.532 3.025 20 0 EGADMP O[C@]1(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000344506056 164186007 /nfs/dbraw/zinc/18/60/07/164186007.db2.gz AGZKGNAZKZOCME-HBMCJLEFSA-N 2 1 328.500 3.182 20 0 EGADMP O[C@]1(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344506056 164186008 /nfs/dbraw/zinc/18/60/08/164186008.db2.gz AGZKGNAZKZOCME-HBMCJLEFSA-N 2 1 328.500 3.182 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C)[NH+](CC)C[C@@H]2C)cc1)C1CC1 ZINC000345965836 164305091 /nfs/dbraw/zinc/30/50/91/164305091.db2.gz RLEJTEVKROLMNW-IRXDYDNUSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)cc1)C1CC1 ZINC000345965836 164305094 /nfs/dbraw/zinc/30/50/94/164305094.db2.gz RLEJTEVKROLMNW-IRXDYDNUSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)cc1)C1CC1 ZINC000345965836 164305096 /nfs/dbraw/zinc/30/50/96/164305096.db2.gz RLEJTEVKROLMNW-IRXDYDNUSA-N 2 1 343.515 3.226 20 0 EGADMP CCN(CC)[C@H](CNC(=O)Cc1[nH]cnc1C)c1ccccc1Cl ZINC000346027117 164321085 /nfs/dbraw/zinc/32/10/85/164321085.db2.gz DZIDVIAGSJEOLR-QGZVFWFLSA-N 2 1 348.878 3.113 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCCO2)[C@H](C)C1 ZINC000354989413 166080326 /nfs/dbraw/zinc/08/03/26/166080326.db2.gz YVHQOECPKRLLTK-QYZOEREBSA-N 2 1 326.525 3.062 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH+](C)C[C@H]2C)cc1)C(C)C ZINC000352012473 165192021 /nfs/dbraw/zinc/19/20/21/165192021.db2.gz FOAUAUDTSBQIMU-IAGOWNOFSA-N 2 1 331.504 3.082 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1)C(C)C ZINC000352012473 165192022 /nfs/dbraw/zinc/19/20/22/165192022.db2.gz FOAUAUDTSBQIMU-IAGOWNOFSA-N 2 1 331.504 3.082 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1)C(C)C ZINC000352012473 165192024 /nfs/dbraw/zinc/19/20/24/165192024.db2.gz FOAUAUDTSBQIMU-IAGOWNOFSA-N 2 1 331.504 3.082 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH+]1CCC(C)(c2cccc(Cl)c2)CC1)C1CC1 ZINC000352351508 165358250 /nfs/dbraw/zinc/35/82/50/165358250.db2.gz YFQUOABVWANQCP-GOSISDBHSA-N 2 1 336.907 3.149 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C)(c2cccc(Cl)c2)CC1)C1CC1 ZINC000352351508 165358252 /nfs/dbraw/zinc/35/82/52/165358252.db2.gz YFQUOABVWANQCP-GOSISDBHSA-N 2 1 336.907 3.149 20 0 EGADMP Cn1cnc2cc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000355216838 166137571 /nfs/dbraw/zinc/13/75/71/166137571.db2.gz JKGJEOKLJCVSIB-LJQANCHMSA-N 2 1 334.467 3.185 20 0 EGADMP Cc1cc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cn2cc[nH+]c12 ZINC000355411020 166189045 /nfs/dbraw/zinc/18/90/45/166189045.db2.gz BNBSAGISZKKRPD-UHFFFAOYSA-N 2 1 334.423 3.491 20 0 EGADMP CC(=O)NCCc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000359034438 167044823 /nfs/dbraw/zinc/04/48/23/167044823.db2.gz JQZRYGHITLUUDC-ATIQYGATSA-N 2 1 343.515 3.033 20 0 EGADMP CC[N@@H+](CCC1CC[NH2+]CC1)CC1CCN(c2ccccn2)CC1 ZINC000359199722 167093582 /nfs/dbraw/zinc/09/35/82/167093582.db2.gz FCDZSVQBPDTSIM-UHFFFAOYSA-N 2 1 330.520 3.010 20 0 EGADMP CCOc1ccc(C[N@H+](CCC[NH3+])Cc2ccccc2)cc1OC ZINC000359470885 167165603 /nfs/dbraw/zinc/16/56/03/167165603.db2.gz FXWJEASVHYHUNX-UHFFFAOYSA-N 2 1 328.456 3.445 20 0 EGADMP CCOc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1OC ZINC000359470885 167165607 /nfs/dbraw/zinc/16/56/07/167165607.db2.gz FXWJEASVHYHUNX-UHFFFAOYSA-N 2 1 328.456 3.445 20 0 EGADMP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360536639 167352837 /nfs/dbraw/zinc/35/28/37/167352837.db2.gz WQAJHHDDLXAYKJ-NRFANRHFSA-N 2 1 335.451 3.124 20 0 EGADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360536639 167352839 /nfs/dbraw/zinc/35/28/39/167352839.db2.gz WQAJHHDDLXAYKJ-NRFANRHFSA-N 2 1 335.451 3.124 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000360616390 167370582 /nfs/dbraw/zinc/37/05/82/167370582.db2.gz UNBQWPDDXLNEIE-HUUCEWRRSA-N 2 1 325.460 3.315 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)N1CCC(C)CC1 ZINC000360955556 167461835 /nfs/dbraw/zinc/46/18/35/167461835.db2.gz JKWMOWLNMQIARP-CEXWTWQISA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366871763 168150982 /nfs/dbraw/zinc/15/09/82/168150982.db2.gz VOJOTWJVLJTKON-OAHLLOKOSA-N 2 1 349.906 3.475 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366871763 168150985 /nfs/dbraw/zinc/15/09/85/168150985.db2.gz VOJOTWJVLJTKON-OAHLLOKOSA-N 2 1 349.906 3.475 20 0 EGADMP C[C@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367030482 168170284 /nfs/dbraw/zinc/17/02/84/168170284.db2.gz QSFDFKFAPPWDSU-PXNSSMCTSA-N 2 1 349.950 3.230 20 0 EGADMP C[C@H]1C[N@@H+](CCCN[C@H](c2ncc[nH]2)C2CCCCC2)CCCO1 ZINC000367599173 168246791 /nfs/dbraw/zinc/24/67/91/168246791.db2.gz UKKIUDMPYZEFCN-WMZOPIPTSA-N 2 1 334.508 3.122 20 0 EGADMP OCCC1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000367614936 168249516 /nfs/dbraw/zinc/24/95/16/168249516.db2.gz JGRZOYBSPISWIS-PCCBWWKXSA-N 2 1 342.527 3.429 20 0 EGADMP C[S@](=O)Cc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000367625969 168252469 /nfs/dbraw/zinc/25/24/69/168252469.db2.gz LXQRKWOPXYRKNC-DEOSSOPVSA-N 2 1 348.556 3.452 20 0 EGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000367681533 168258188 /nfs/dbraw/zinc/25/81/88/168258188.db2.gz CQSQVMBHLNVDHX-GOSISDBHSA-N 2 1 332.536 3.419 20 0 EGADMP C[C@@H](O)c1ncc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000368014766 168297096 /nfs/dbraw/zinc/29/70/96/168297096.db2.gz AXRYVYNRCUJFCX-WBVHZDCISA-N 2 1 345.512 3.198 20 0 EGADMP C[C@@H](O)c1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000368014766 168297099 /nfs/dbraw/zinc/29/70/99/168297099.db2.gz AXRYVYNRCUJFCX-WBVHZDCISA-N 2 1 345.512 3.198 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000180206395 265398330 /nfs/dbraw/zinc/39/83/30/265398330.db2.gz CFFAUPCPWXBKII-GTPINHCMSA-N 2 1 339.524 3.144 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000273347021 267025346 /nfs/dbraw/zinc/02/53/46/267025346.db2.gz XKHFHYGYUKGBQO-ZDUSSCGKSA-N 2 1 343.406 3.430 20 0 EGADMP CC[NH+](CC)CCOc1ccc(-c2noc(C[N@H+](C)C(C)C)n2)cc1 ZINC000273825773 267117423 /nfs/dbraw/zinc/11/74/23/267117423.db2.gz YBXGDGJOGGAOHH-UHFFFAOYSA-N 2 1 346.475 3.297 20 0 EGADMP CC[NH+](CC)CCOc1ccc(-c2noc(C[N@@H+](C)C(C)C)n2)cc1 ZINC000273825773 267117426 /nfs/dbraw/zinc/11/74/26/267117426.db2.gz YBXGDGJOGGAOHH-UHFFFAOYSA-N 2 1 346.475 3.297 20 0 EGADMP CC(C)OCC[NH+]1CCC(Nc2cc[nH+]cc2Br)CC1 ZINC000274343398 267220562 /nfs/dbraw/zinc/22/05/62/267220562.db2.gz IUTQAVWKNFJZFO-UHFFFAOYSA-N 2 1 342.281 3.145 20 0 EGADMP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274759423 267281838 /nfs/dbraw/zinc/28/18/38/267281838.db2.gz JQIAGIAVSNETNT-ICSRJNTNSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274759423 267281840 /nfs/dbraw/zinc/28/18/40/267281840.db2.gz JQIAGIAVSNETNT-ICSRJNTNSA-N 2 1 329.532 3.219 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)[C@H](C)C1 ZINC000274777259 267284969 /nfs/dbraw/zinc/28/49/69/267284969.db2.gz OHZHRZWXKWJVJV-YLJYHZDGSA-N 2 1 348.531 3.141 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)[C@H](C)C1 ZINC000274777258 267285508 /nfs/dbraw/zinc/28/55/08/267285508.db2.gz OHZHRZWXKWJVJV-XLIONFOSSA-N 2 1 348.531 3.141 20 0 EGADMP CCC[N@H+]1CC[C@H](CN[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000274898540 267304499 /nfs/dbraw/zinc/30/44/99/267304499.db2.gz KQQABFMRNGHCOO-TYPHKJRUSA-N 2 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CC[C@H](CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000274898540 267304502 /nfs/dbraw/zinc/30/45/02/267304502.db2.gz KQQABFMRNGHCOO-TYPHKJRUSA-N 2 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CC[C@H](CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000274898540 267304505 /nfs/dbraw/zinc/30/45/05/267304505.db2.gz KQQABFMRNGHCOO-TYPHKJRUSA-N 2 1 329.532 3.219 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000274898540 267304507 /nfs/dbraw/zinc/30/45/07/267304507.db2.gz KQQABFMRNGHCOO-TYPHKJRUSA-N 3 1 329.532 3.219 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000274898540 267304510 /nfs/dbraw/zinc/30/45/10/267304510.db2.gz KQQABFMRNGHCOO-TYPHKJRUSA-N 3 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000274898540 267304513 /nfs/dbraw/zinc/30/45/13/267304513.db2.gz KQQABFMRNGHCOO-TYPHKJRUSA-N 3 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000274898540 267304514 /nfs/dbraw/zinc/30/45/14/267304514.db2.gz KQQABFMRNGHCOO-TYPHKJRUSA-N 3 1 329.532 3.219 20 0 EGADMP Cc1cc(C)n(CCC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000274967439 267312877 /nfs/dbraw/zinc/31/28/77/267312877.db2.gz XPUNOALJBCXEOT-TZIWHRDSSA-N 2 1 340.515 3.390 20 0 EGADMP CCN(CCCc1cnccc1C)CC(=O)Nc1ccccc1OC ZINC000275255465 267335698 /nfs/dbraw/zinc/33/56/98/267335698.db2.gz PUGAIJHUVOMWSG-UHFFFAOYSA-N 2 1 341.455 3.292 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000358086788 274339841 /nfs/dbraw/zinc/33/98/41/274339841.db2.gz OTYYILRXMDOXHJ-DVOMOZLQSA-N 2 1 338.879 3.320 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000358086788 274339842 /nfs/dbraw/zinc/33/98/42/274339842.db2.gz OTYYILRXMDOXHJ-DVOMOZLQSA-N 2 1 338.879 3.320 20 0 EGADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)CC1CCN(c2ccccn2)CC1 ZINC000125303855 275191595 /nfs/dbraw/zinc/19/15/95/275191595.db2.gz MXEGRNUYMXBOJF-IBGZPJMESA-N 2 1 330.520 3.104 20 0 EGADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)CC1CCN(c2ccccn2)CC1 ZINC000125303855 275191596 /nfs/dbraw/zinc/19/15/96/275191596.db2.gz MXEGRNUYMXBOJF-IBGZPJMESA-N 2 1 330.520 3.104 20 0 EGADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)CC1CCN(c2ccccn2)CC1 ZINC000125303855 275191598 /nfs/dbraw/zinc/19/15/98/275191598.db2.gz MXEGRNUYMXBOJF-IBGZPJMESA-N 2 1 330.520 3.104 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cnn1-c1ccc(F)cc1 ZINC000271898677 275239695 /nfs/dbraw/zinc/23/96/95/275239695.db2.gz VAOQVZUWSWYFSM-CQSZACIVSA-N 2 1 328.435 3.232 20 0 EGADMP CCC(CC)(C[NH2+]C1CCN(C=O)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000278719979 275268657 /nfs/dbraw/zinc/26/86/57/275268657.db2.gz MFQOOSMMQZOROI-KRWDZBQOSA-N 2 1 331.504 3.106 20 0 EGADMP O[C@@H]1c2ccccc2C[C@H]1[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278920727 275287827 /nfs/dbraw/zinc/28/78/27/275287827.db2.gz ROPNVHHWPYYTIE-WOJBJXKFSA-N 2 1 337.467 3.057 20 0 EGADMP Brc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278974398 275292616 /nfs/dbraw/zinc/29/26/16/275292616.db2.gz NZEPRYJSXXNBFM-MLGOLLRUSA-N 2 1 346.272 3.485 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000343566593 276011536 /nfs/dbraw/zinc/01/15/36/276011536.db2.gz IKIZGHBMIILHRI-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338945518 276073148 /nfs/dbraw/zinc/07/31/48/276073148.db2.gz RVWKESSTTLASLO-KRWDZBQOSA-N 2 1 326.488 3.169 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338945518 276073149 /nfs/dbraw/zinc/07/31/49/276073149.db2.gz RVWKESSTTLASLO-KRWDZBQOSA-N 2 1 326.488 3.169 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338945518 276073150 /nfs/dbraw/zinc/07/31/50/276073150.db2.gz RVWKESSTTLASLO-KRWDZBQOSA-N 2 1 326.488 3.169 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000287106302 276084555 /nfs/dbraw/zinc/08/45/55/276084555.db2.gz QHQTZJKWOCUHMB-DGQTTZFYSA-N 2 1 347.547 3.395 20 0 EGADMP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000287106302 276084556 /nfs/dbraw/zinc/08/45/56/276084556.db2.gz QHQTZJKWOCUHMB-DGQTTZFYSA-N 2 1 347.547 3.395 20 0 EGADMP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000287106302 276084558 /nfs/dbraw/zinc/08/45/58/276084558.db2.gz QHQTZJKWOCUHMB-DGQTTZFYSA-N 2 1 347.547 3.395 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1)C(C)C ZINC000289091969 276289517 /nfs/dbraw/zinc/28/95/17/276289517.db2.gz BOJYBAHJEUBDCA-IYARVYRRSA-N 2 1 345.531 3.412 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@@H](C)CCSC)CC1 ZINC000353799683 276388460 /nfs/dbraw/zinc/38/84/60/276388460.db2.gz BLPYDERFXOHOPK-KRWDZBQOSA-N 2 1 335.561 3.402 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000290079548 276443626 /nfs/dbraw/zinc/44/36/26/276443626.db2.gz GWCBPVFNXADHIX-IBGZPJMESA-N 2 1 325.456 3.265 20 0 EGADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]CCC3CCCCC3)cc2)CC1 ZINC000361547414 277098024 /nfs/dbraw/zinc/09/80/24/277098024.db2.gz FPMGXJHNCAXLFC-UHFFFAOYSA-N 2 1 343.515 3.134 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000364914721 278044457 /nfs/dbraw/zinc/04/44/57/278044457.db2.gz GBOJWGJHIFOUJM-GOSISDBHSA-N 2 1 346.515 3.030 20 0 EGADMP C[C@H](CC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)[NH+]1CCCCC1 ZINC000184508683 278173912 /nfs/dbraw/zinc/17/39/12/278173912.db2.gz FUXIVVSEGBSTAX-HZPDHXFCSA-N 2 1 338.517 3.005 20 0 EGADMP CC[N@H+](CC(=O)N[C@H](CC(C)C)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000345190396 279056152 /nfs/dbraw/zinc/05/61/52/279056152.db2.gz PCNJDIDGSDWHLR-WOJBJXKFSA-N 2 1 345.531 3.354 20 0 EGADMP CC[N@@H+](CC(=O)N[C@H](CC(C)C)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000345190396 279056153 /nfs/dbraw/zinc/05/61/53/279056153.db2.gz PCNJDIDGSDWHLR-WOJBJXKFSA-N 2 1 345.531 3.354 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NCC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC000355707030 279141025 /nfs/dbraw/zinc/14/10/25/279141025.db2.gz UJSFVRUQXRCNKS-LJQANCHMSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000354284590 279154474 /nfs/dbraw/zinc/15/44/74/279154474.db2.gz XWYIBNOPESJNHX-GGPKGHCWSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1)C(C)C ZINC000261872390 279235151 /nfs/dbraw/zinc/23/51/51/279235151.db2.gz SNFXUVZULIODGR-APWZRJJASA-N 2 1 331.504 3.116 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2C)cc1)C1CC1 ZINC000362603016 279235883 /nfs/dbraw/zinc/23/58/83/279235883.db2.gz RUHKXNOYEFEVEU-OXQOHEQNSA-N 2 1 343.515 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1)C1CC1 ZINC000362603016 279235884 /nfs/dbraw/zinc/23/58/84/279235884.db2.gz RUHKXNOYEFEVEU-OXQOHEQNSA-N 2 1 343.515 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1)C1CC1 ZINC000362603016 279235885 /nfs/dbraw/zinc/23/58/85/279235885.db2.gz RUHKXNOYEFEVEU-OXQOHEQNSA-N 2 1 343.515 3.129 20 0 EGADMP C[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375818375 288254512 /nfs/dbraw/zinc/25/45/12/288254512.db2.gz WCRJDPQIHIZXMV-YSGRDPCXSA-N 2 1 347.934 3.285 20 0 EGADMP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261956954 294673325 /nfs/dbraw/zinc/67/33/25/294673325.db2.gz PAIHIZVQFFEJJV-YIDVYQOGSA-N 2 1 334.426 3.102 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2CC2CCCCC2)CC1 ZINC000061040297 307352258 /nfs/dbraw/zinc/35/22/58/307352258.db2.gz FHZKWCUAPOECCN-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116396022 307483644 /nfs/dbraw/zinc/48/36/44/307483644.db2.gz VRYQCPINXADKIK-RHSMWYFYSA-N 2 1 337.483 3.417 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000414191481 309065868 /nfs/dbraw/zinc/06/58/68/309065868.db2.gz SOCGJOKQQVKRBM-HKUYNNGSSA-N 2 1 326.488 3.314 20 0 EGADMP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000414342590 309074117 /nfs/dbraw/zinc/07/41/17/309074117.db2.gz QCDHHSQAMFEOTK-XDWAVFMPSA-N 2 1 328.500 3.038 20 0 EGADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000248214932 308000249 /nfs/dbraw/zinc/00/02/49/308000249.db2.gz ZLJPRTUGVRATAV-ZBFHGGJFSA-N 2 1 339.549 3.462 20 0 EGADMP CC[C@@]1(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000248749969 308010750 /nfs/dbraw/zinc/01/07/50/308010750.db2.gz SZTBZQQOSYLOGX-UTKZUKDTSA-N 2 1 343.515 3.067 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCO[C@@H]1CCCCO1 ZINC000248841043 308012922 /nfs/dbraw/zinc/01/29/22/308012922.db2.gz QQYLAYSEEXOHSW-JYRKZWEQSA-N 2 1 346.515 3.276 20 0 EGADMP C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000249169645 308020518 /nfs/dbraw/zinc/02/05/18/308020518.db2.gz AQAQGRGYBSRPFJ-OXJNMPFZSA-N 2 1 342.458 3.113 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C/C=C\c3ccc(Cl)cc3)C2)CC1 ZINC000255276192 308044695 /nfs/dbraw/zinc/04/46/95/308044695.db2.gz CZNSGDWKDCKPLC-ZRHASKPBSA-N 2 1 333.907 3.065 20 0 EGADMP CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1 ZINC000293015702 308090395 /nfs/dbraw/zinc/09/03/95/308090395.db2.gz KDBILECTWQHEQG-DFNIBXOVSA-N 2 1 332.488 3.159 20 0 EGADMP CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1 ZINC000293015702 308090396 /nfs/dbraw/zinc/09/03/96/308090396.db2.gz KDBILECTWQHEQG-DFNIBXOVSA-N 2 1 332.488 3.159 20 0 EGADMP CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1 ZINC000293015702 308090397 /nfs/dbraw/zinc/09/03/97/308090397.db2.gz KDBILECTWQHEQG-DFNIBXOVSA-N 2 1 332.488 3.159 20 0 EGADMP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000293566192 308142487 /nfs/dbraw/zinc/14/24/87/308142487.db2.gz XTPROPQKUFASHD-YRNRMSPPSA-N 2 1 332.463 3.367 20 0 EGADMP C[N@H+]1CCC[C@@]2(CCN(Cc3ccc4c(c3)COC(C)(C)O4)C2)C1 ZINC000293710704 308154969 /nfs/dbraw/zinc/15/49/69/308154969.db2.gz SJMGHLJUNCTKBB-HXUWFJFHSA-N 2 1 330.472 3.249 20 0 EGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4c(c3)COC(C)(C)O4)C2)C1 ZINC000293710704 308154971 /nfs/dbraw/zinc/15/49/71/308154971.db2.gz SJMGHLJUNCTKBB-HXUWFJFHSA-N 2 1 330.472 3.249 20 0 EGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4c(c3)COC(C)(C)O4)C2)C1 ZINC000293710704 308154972 /nfs/dbraw/zinc/15/49/72/308154972.db2.gz SJMGHLJUNCTKBB-HXUWFJFHSA-N 2 1 330.472 3.249 20 0 EGADMP CC[NH+](CC)Cc1cccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000294205000 308199852 /nfs/dbraw/zinc/19/98/52/308199852.db2.gz CAQYLLWIQAYVMO-UHFFFAOYSA-N 2 1 349.438 3.361 20 0 EGADMP CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(C)C ZINC000294920718 308271595 /nfs/dbraw/zinc/27/15/95/308271595.db2.gz AUDADVGYYSMRMJ-BEFAXECRSA-N 2 1 342.487 3.334 20 0 EGADMP COc1sc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000295105449 308291764 /nfs/dbraw/zinc/29/17/64/308291764.db2.gz VLEPVCQAMWMJJZ-FGWVZKOKSA-N 2 1 345.306 3.234 20 0 EGADMP COc1sc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Br ZINC000295105449 308291766 /nfs/dbraw/zinc/29/17/66/308291766.db2.gz VLEPVCQAMWMJJZ-FGWVZKOKSA-N 2 1 345.306 3.234 20 0 EGADMP COc1sc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000295105449 308291767 /nfs/dbraw/zinc/29/17/67/308291767.db2.gz VLEPVCQAMWMJJZ-FGWVZKOKSA-N 2 1 345.306 3.234 20 0 EGADMP CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](CC)CC)cc1 ZINC000295850228 308366861 /nfs/dbraw/zinc/36/68/61/308366861.db2.gz FZPPQENPIDSIDE-QGZVFWFLSA-N 2 1 344.503 3.474 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OCc1ccccc1 ZINC000414654217 309093683 /nfs/dbraw/zinc/09/36/83/309093683.db2.gz BPFMTKIUXFKLNN-APWZRJJASA-N 2 1 340.467 3.443 20 0 EGADMP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414697859 309095966 /nfs/dbraw/zinc/09/59/66/309095966.db2.gz CLCYVDCEMQZJNK-HMXCVIKNSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414697859 309095967 /nfs/dbraw/zinc/09/59/67/309095967.db2.gz CLCYVDCEMQZJNK-HMXCVIKNSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414697859 309095968 /nfs/dbraw/zinc/09/59/68/309095968.db2.gz CLCYVDCEMQZJNK-HMXCVIKNSA-N 3 1 329.532 3.219 20 0 EGADMP CC[N@H+](C[C@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414697859 309095969 /nfs/dbraw/zinc/09/59/69/309095969.db2.gz CLCYVDCEMQZJNK-HMXCVIKNSA-N 2 1 329.532 3.219 20 0 EGADMP CC[N@@H+](C[C@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414697859 309095970 /nfs/dbraw/zinc/09/59/70/309095970.db2.gz CLCYVDCEMQZJNK-HMXCVIKNSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](C[NH3+])CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414717626 309097280 /nfs/dbraw/zinc/09/72/80/309097280.db2.gz UPHPOIWRZAOVLE-OAHLLOKOSA-N 2 1 332.492 3.167 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCCN(CCCc3ccccc3)CC2)CC[NH2+]1 ZINC000414673103 309094796 /nfs/dbraw/zinc/09/47/96/309094796.db2.gz QGJDEVORNRXPCH-CTNGQTDRSA-N 2 1 329.532 3.015 20 0 EGADMP C[C@H]1C[C@H](C[N@@H+](C)CCOc2ccc(Br)cc2)CC[NH2+]1 ZINC000414676338 309095010 /nfs/dbraw/zinc/09/50/10/309095010.db2.gz HHTNQWYVLNDGFN-UONOGXRCSA-N 2 1 341.293 3.148 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](C)CCOc2ccc(Br)cc2)CC[NH2+]1 ZINC000414676339 309095084 /nfs/dbraw/zinc/09/50/84/309095084.db2.gz HHTNQWYVLNDGFN-ZIAGYGMSSA-N 2 1 341.293 3.148 20 0 EGADMP COc1cccc(C[N@@H+](C[C@H]2CCCO2)C[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414686145 309095346 /nfs/dbraw/zinc/09/53/46/309095346.db2.gz FLDZETXCDHINTA-YVWKXTFCSA-N 2 1 332.488 3.064 20 0 EGADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000414751106 309098800 /nfs/dbraw/zinc/09/88/00/309098800.db2.gz ZSPZFAVNIVRTMW-OKZBNKHCSA-N 2 1 331.504 3.422 20 0 EGADMP COc1ccc(C[N@@H+](CC2CC2)C[C@@H]2CC[NH2+][C@H](C)C2)c(OC)c1 ZINC000414758619 309099080 /nfs/dbraw/zinc/09/90/80/309099080.db2.gz VCTXFKUWHONGKP-NVXWUHKLSA-N 2 1 332.488 3.304 20 0 EGADMP Fc1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000414767239 309099508 /nfs/dbraw/zinc/09/95/08/309099508.db2.gz JHDLGMYGHBVBDI-GASCZTMLSA-N 2 1 331.460 3.381 20 0 EGADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C2CCCCC2)n1 ZINC000414777346 309100240 /nfs/dbraw/zinc/10/02/40/309100240.db2.gz ICTKYHNMWOHINL-QZTJIDSGSA-N 2 1 330.520 3.289 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000414777535 309100325 /nfs/dbraw/zinc/10/03/25/309100325.db2.gz FVTQCAGGIDXEHV-MSOLQXFVSA-N 2 1 343.496 3.138 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c2ccccc12 ZINC000414777572 309100342 /nfs/dbraw/zinc/10/03/42/309100342.db2.gz FXQBLZASOUTHHY-QGZVFWFLSA-N 2 1 340.467 3.036 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC(C)C ZINC000414779512 309100719 /nfs/dbraw/zinc/10/07/19/309100719.db2.gz KGUMXUYUKKHGEP-QZTJIDSGSA-N 2 1 332.488 3.304 20 0 EGADMP FC(F)(F)COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414783146 309100886 /nfs/dbraw/zinc/10/08/86/309100886.db2.gz PKYGXQLSGJRLTR-CVEARBPZSA-N 2 1 342.405 3.449 20 0 EGADMP Cc1cc2cc(C[N@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)oc2cc1C ZINC000414784209 309101049 /nfs/dbraw/zinc/10/10/49/309101049.db2.gz QWXHQFYWGQBIHS-KRWDZBQOSA-N 2 1 328.456 3.237 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)CC12CCOCC2 ZINC000414788035 309101277 /nfs/dbraw/zinc/10/12/77/309101277.db2.gz MSOXYKICNVAHJX-SFHVURJKSA-N 2 1 344.499 3.195 20 0 EGADMP COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414788284 309101280 /nfs/dbraw/zinc/10/12/80/309101280.db2.gz WNYQCLLYSRTDMZ-UONOGXRCSA-N 2 1 340.414 3.118 20 0 EGADMP Fc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1Br ZINC000414788530 309101352 /nfs/dbraw/zinc/10/13/52/309101352.db2.gz WWVBAZMQCWGWOI-KGLIPLIRSA-N 2 1 341.268 3.410 20 0 EGADMP CCOCc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414789207 309101441 /nfs/dbraw/zinc/10/14/41/309101441.db2.gz XZLMQOSKSWMKFZ-QZTJIDSGSA-N 2 1 332.488 3.053 20 0 EGADMP FC(F)(F)COc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789182 309101559 /nfs/dbraw/zinc/10/15/59/309101559.db2.gz XVCKBNVHRQVUTL-GJZGRUSLSA-N 2 1 342.405 3.449 20 0 EGADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414795249 309101881 /nfs/dbraw/zinc/10/18/81/309101881.db2.gz MYACIJLTPDWPFS-AWEZNQCLSA-N 2 1 326.366 3.168 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000414812694 309103233 /nfs/dbraw/zinc/10/32/33/309103233.db2.gz LIPAZNMQXAUHPN-UKRRQHHQSA-N 2 1 325.884 3.473 20 0 EGADMP Clc1ccc(OCc2cccnc2)c(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414837007 309104562 /nfs/dbraw/zinc/10/45/62/309104562.db2.gz VIAHSAKPCGIDAI-HNNXBMFYSA-N 2 1 345.874 3.403 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414840511 309104735 /nfs/dbraw/zinc/10/47/35/309104735.db2.gz MJXUOJAXHRWORW-KXBFYZLASA-N 2 1 331.504 3.463 20 0 EGADMP CC(C)(C)c1nc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cs1 ZINC000333137994 308850930 /nfs/dbraw/zinc/85/09/30/308850930.db2.gz KMMXZZDTAWMQPL-GOEBONIOSA-N 2 1 337.533 3.159 20 0 EGADMP COc1cc2[nH+]ccc(N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)c2cc1OC ZINC000413191398 309020629 /nfs/dbraw/zinc/02/06/29/309020629.db2.gz GUDRSKDBCBCWND-PBHICJAKSA-N 2 1 341.455 3.173 20 0 EGADMP COc1ccc(C[NH2+][C@H](C[NH3+])CC(C)C)cc1OCc1cccnc1 ZINC000414853735 309105665 /nfs/dbraw/zinc/10/56/65/309105665.db2.gz SWESLAPSFXAWNY-SFHVURJKSA-N 2 1 343.471 3.132 20 0 EGADMP C[C@@H](CC[NH3+])[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000414894989 309107870 /nfs/dbraw/zinc/10/78/70/309107870.db2.gz MGPLDTGSPLVWHO-JTQLQIEISA-N 2 1 340.290 3.400 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414906611 309108467 /nfs/dbraw/zinc/10/84/67/309108467.db2.gz MIIGQWILFPDWNQ-HXUWFJFHSA-N 2 1 325.456 3.237 20 0 EGADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414986731 309112887 /nfs/dbraw/zinc/11/28/87/309112887.db2.gz JKRKBNQYPUDLDT-VIFPVBQESA-N 2 1 341.171 3.175 20 0 EGADMP COc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1OCc1cccnc1 ZINC000415057406 309117212 /nfs/dbraw/zinc/11/72/12/309117212.db2.gz SMGSKPNXZVBROR-LJQANCHMSA-N 2 1 343.471 3.132 20 0 EGADMP CSc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)OCCO2 ZINC000415057419 309117241 /nfs/dbraw/zinc/11/72/41/309117241.db2.gz UDLYCAPFIBCEBQ-GOEBONIOSA-N 2 1 348.512 3.144 20 0 EGADMP CSc1cc2c(cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)OCCO2 ZINC000415057419 309117242 /nfs/dbraw/zinc/11/72/42/309117242.db2.gz UDLYCAPFIBCEBQ-GOEBONIOSA-N 2 1 348.512 3.144 20 0 EGADMP COc1ccc(OCC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415088324 309119443 /nfs/dbraw/zinc/11/94/43/309119443.db2.gz LSIGIXYILXFVBJ-FXAWDEMLSA-N 2 1 326.440 3.157 20 0 EGADMP Cc1cccc(N2CCC([NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)[nH+]1 ZINC000415091212 309119621 /nfs/dbraw/zinc/11/96/21/309119621.db2.gz PYPALFUVBSSTSJ-HKUYNNGSSA-N 3 1 330.520 3.259 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(OCC3CCCCC3)c2)CCCO1 ZINC000415103088 309120605 /nfs/dbraw/zinc/12/06/05/309120605.db2.gz BXXCOFOLKPJDII-HXUWFJFHSA-N 2 1 332.488 3.195 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(OCC3CCCCC3)c2)CCCO1 ZINC000415103088 309120606 /nfs/dbraw/zinc/12/06/06/309120606.db2.gz BXXCOFOLKPJDII-HXUWFJFHSA-N 2 1 332.488 3.195 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)C1 ZINC000415118894 309121536 /nfs/dbraw/zinc/12/15/36/309121536.db2.gz DRIZSJBILKVGNA-NVXWUHKLSA-N 2 1 326.843 3.197 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415120425 309121756 /nfs/dbraw/zinc/12/17/56/309121756.db2.gz FZMSCFUDIWWGDX-SWLSCSKDSA-N 2 1 348.441 3.184 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000415134327 309122982 /nfs/dbraw/zinc/12/29/82/309122982.db2.gz VZULSYCTWBBZDF-KBPBESRZSA-N 2 1 332.879 3.157 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000415134327 309122983 /nfs/dbraw/zinc/12/29/83/309122983.db2.gz VZULSYCTWBBZDF-KBPBESRZSA-N 2 1 332.879 3.157 20 0 EGADMP C[NH2+]Cc1ccccc1NC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000415903811 309147122 /nfs/dbraw/zinc/14/71/22/309147122.db2.gz QTRRPPGPAREATR-UHFFFAOYSA-N 2 1 340.471 3.050 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000415911988 309147952 /nfs/dbraw/zinc/14/79/52/309147952.db2.gz FQIXEEYVEDVSBV-KRWDZBQOSA-N 2 1 332.492 3.038 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000415917910 309148604 /nfs/dbraw/zinc/14/86/04/309148604.db2.gz JYJIKWAZMMQQBO-IYBDPMFKSA-N 2 1 346.519 3.284 20 0 EGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417316529 309201511 /nfs/dbraw/zinc/20/15/11/309201511.db2.gz UIWRXORPPNDVQN-RYQLBKOJSA-N 2 1 335.561 3.103 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@H](c3ccccc3OC)C2)cc1 ZINC000420294926 309279891 /nfs/dbraw/zinc/27/98/91/309279891.db2.gz BNAIYEIHWVLBID-ROUUACIJSA-N 2 1 340.467 3.236 20 0 EGADMP C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420297484 309279935 /nfs/dbraw/zinc/27/99/35/309279935.db2.gz FYMZQIVEXAPHJA-ZEWNOJEFSA-N 2 1 342.458 3.140 20 0 EGADMP CC[C@H](C)[N@H+](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420297776 309279994 /nfs/dbraw/zinc/27/99/94/309279994.db2.gz DNRMAINDIFNCMP-YYWHXJBOSA-N 2 1 326.484 3.218 20 0 EGADMP C[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420295867 309280055 /nfs/dbraw/zinc/28/00/55/309280055.db2.gz BBEOSPXYCDVFFL-HSQYWUDLSA-N 2 1 338.495 3.218 20 0 EGADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000420298832 309280202 /nfs/dbraw/zinc/28/02/02/309280202.db2.gz HYPAMKFLAZSHES-SFHVURJKSA-N 2 1 343.515 3.003 20 0 EGADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000420298831 309280236 /nfs/dbraw/zinc/28/02/36/309280236.db2.gz HYPAMKFLAZSHES-GOSISDBHSA-N 2 1 343.515 3.003 20 0 EGADMP C[N@@H+](CCc1cccc2ccccc21)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420305218 309280799 /nfs/dbraw/zinc/28/07/99/309280799.db2.gz PEEFECQYWDMAHY-GOTSBHOMSA-N 2 1 348.490 3.245 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420312451 309281137 /nfs/dbraw/zinc/28/11/37/309281137.db2.gz IQCLIVUPUDJDGV-GOSISDBHSA-N 2 1 330.863 3.276 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420312451 309281138 /nfs/dbraw/zinc/28/11/38/309281138.db2.gz IQCLIVUPUDJDGV-GOSISDBHSA-N 2 1 330.863 3.276 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000420324481 309282276 /nfs/dbraw/zinc/28/22/76/309282276.db2.gz VLKNGPUWLHSOBB-PMACEKPBSA-N 2 1 344.886 3.235 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000420324481 309282277 /nfs/dbraw/zinc/28/22/77/309282277.db2.gz VLKNGPUWLHSOBB-PMACEKPBSA-N 2 1 344.886 3.235 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000420338033 309282948 /nfs/dbraw/zinc/28/29/48/309282948.db2.gz NOCJKDIYVLAFLZ-OAGGEKHMSA-N 2 1 349.906 3.215 20 0 EGADMP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344112 309283386 /nfs/dbraw/zinc/28/33/86/309283386.db2.gz SCUKUYJCTWAGKR-XHSDSOJGSA-N 2 1 347.528 3.057 20 0 EGADMP Cc1ccc(-c2noc(CCC[NH2+][C@H](C[NH3+])C(C)(C)C)n2)cc1F ZINC000420367011 309284468 /nfs/dbraw/zinc/28/44/68/309284468.db2.gz RUOFHXUFGQIBER-OAHLLOKOSA-N 2 1 334.439 3.080 20 0 EGADMP CC(C)(C)c1csc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC000420389858 309286032 /nfs/dbraw/zinc/28/60/32/309286032.db2.gz YZIFJICMPNAQBY-PBHICJAKSA-N 2 1 337.533 3.159 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420404164 309286737 /nfs/dbraw/zinc/28/67/37/309286737.db2.gz LSVKWFOTQVNXLI-KGLIPLIRSA-N 2 1 330.428 3.026 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420404164 309286738 /nfs/dbraw/zinc/28/67/38/309286738.db2.gz LSVKWFOTQVNXLI-KGLIPLIRSA-N 2 1 330.428 3.026 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)n1 ZINC000420410528 309286853 /nfs/dbraw/zinc/28/68/53/309286853.db2.gz XVWXDHZYMGOAQN-TZIWHRDSSA-N 2 1 338.499 3.453 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3cccc(F)c3)CC2)CC1 ZINC000420978594 309305599 /nfs/dbraw/zinc/30/55/99/309305599.db2.gz JEJNBYGIQYXIBG-KRWDZBQOSA-N 2 1 333.495 3.379 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(F)cc3C)CC2)CC1 ZINC000420986336 309306085 /nfs/dbraw/zinc/30/60/85/309306085.db2.gz XYKUHVBGMXIIKQ-UHFFFAOYSA-N 2 1 333.495 3.126 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc4[nH]ccc43)CC2)CC1 ZINC000421372227 309321220 /nfs/dbraw/zinc/32/12/20/309321220.db2.gz KXRRIXFIMMVXHJ-UHFFFAOYSA-N 2 1 340.515 3.160 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000421381489 309321825 /nfs/dbraw/zinc/32/18/25/309321825.db2.gz WTUYEDFWDFGDSR-RBBKRZOGSA-N 2 1 341.543 3.282 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccncc1Cl ZINC000421834399 309342244 /nfs/dbraw/zinc/34/22/44/309342244.db2.gz CFXBQMYKBUJVOH-YOEHRIQHSA-N 2 1 345.874 3.152 20 0 EGADMP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422945112 309377388 /nfs/dbraw/zinc/37/73/88/309377388.db2.gz UATYEADPZSEKNW-ZIBATOQPSA-N 2 1 329.257 3.249 20 0 EGADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@@H]1C[NH3+] ZINC000422625220 309362730 /nfs/dbraw/zinc/36/27/30/309362730.db2.gz AYORSRNILLZLSX-VYDXJSESSA-N 2 1 325.456 3.084 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@@H]1C[NH3+] ZINC000422625220 309362731 /nfs/dbraw/zinc/36/27/31/309362731.db2.gz AYORSRNILLZLSX-VYDXJSESSA-N 2 1 325.456 3.084 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C[C@@H]1C[NH3+] ZINC000422641859 309363098 /nfs/dbraw/zinc/36/30/98/309363098.db2.gz YMZCEYFOZBFFNM-UPJWGTAASA-N 2 1 341.858 3.113 20 0 EGADMP COc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c(OC)c1OC ZINC000422694700 309363311 /nfs/dbraw/zinc/36/33/11/309363311.db2.gz OHPUPBLZRGXDJX-HOCLYGCPSA-N 2 1 336.476 3.113 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])ccc1OC(F)F ZINC000422696599 309363468 /nfs/dbraw/zinc/36/34/68/309363468.db2.gz RZMGSKNFKPQSRO-UONOGXRCSA-N 2 1 328.403 3.436 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])ccc1OC(F)F ZINC000422696597 309363512 /nfs/dbraw/zinc/36/35/12/309363512.db2.gz RZMGSKNFKPQSRO-KBPBESRZSA-N 2 1 328.403 3.436 20 0 EGADMP CC(C)(CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422702949 309363826 /nfs/dbraw/zinc/36/38/26/309363826.db2.gz LWQCKMQVPYEUNO-NJDAHSKKSA-N 2 1 341.543 3.334 20 0 EGADMP CC(C)(CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422702949 309363827 /nfs/dbraw/zinc/36/38/27/309363827.db2.gz LWQCKMQVPYEUNO-NJDAHSKKSA-N 2 1 341.543 3.334 20 0 EGADMP CCC[NH+](CCC)CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422716872 309364738 /nfs/dbraw/zinc/36/47/38/309364738.db2.gz UUETZVJUZSSDHK-PZJWPPBQSA-N 3 1 345.531 3.344 20 0 EGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2c1cc(Cl)cc2Br)C1CC1 ZINC000423283038 309393900 /nfs/dbraw/zinc/39/39/00/309393900.db2.gz VSBAAAMWIYJFSC-KGLIPLIRSA-N 2 1 329.669 3.417 20 0 EGADMP CC[C@H]([NH2+]C[C@H](CO)Cc1c(F)cccc1Cl)[C@H]1CCCC[NH2+]1 ZINC000422797777 309368879 /nfs/dbraw/zinc/36/88/79/309368879.db2.gz OKQMXCOSNAUFDY-JEBQAFNWSA-N 2 1 342.886 3.140 20 0 EGADMP CC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422812278 309369689 /nfs/dbraw/zinc/36/96/89/309369689.db2.gz WCZHHEPLUQTJOU-GXRSIYKFSA-N 2 1 341.543 3.334 20 0 EGADMP CC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422812278 309369690 /nfs/dbraw/zinc/36/96/90/309369690.db2.gz WCZHHEPLUQTJOU-GXRSIYKFSA-N 2 1 341.543 3.334 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])ccc1OCC(F)(F)F ZINC000422823890 309370392 /nfs/dbraw/zinc/37/03/92/309370392.db2.gz FJNGOSPWRSZAEK-UONOGXRCSA-N 2 1 346.393 3.386 20 0 EGADMP Clc1cccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+]2CCCC2)c1 ZINC000422840059 309371277 /nfs/dbraw/zinc/37/12/77/309371277.db2.gz AVHFYXDORHMBNM-SWDXFRIISA-N 2 1 333.907 3.350 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000422854812 309372254 /nfs/dbraw/zinc/37/22/54/309372254.db2.gz DBZQCHNGLVJUQM-SJLPKXTDSA-N 2 1 329.488 3.214 20 0 EGADMP CCOCCOCc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422859361 309372396 /nfs/dbraw/zinc/37/23/96/309372396.db2.gz JVQGFFLSKXWVCB-LEWJYISDSA-N 2 1 340.467 3.474 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1Br ZINC000422876751 309373419 /nfs/dbraw/zinc/37/34/19/309373419.db2.gz GLWVROGANVFCAS-KBPBESRZSA-N 2 1 327.266 3.207 20 0 EGADMP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422945111 309377323 /nfs/dbraw/zinc/37/73/23/309377323.db2.gz UATYEADPZSEKNW-ZETOZRRWSA-N 2 1 329.257 3.249 20 0 EGADMP C[C@@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)[C@H]1CCCC[NH2+]1 ZINC000422953064 309377908 /nfs/dbraw/zinc/37/79/08/309377908.db2.gz CWBXULFEBQLNJL-GDBMZVCRSA-N 2 1 330.501 3.258 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422996519 309380051 /nfs/dbraw/zinc/38/00/51/309380051.db2.gz MJZPKDCKLMCVRO-HLAWJBBLSA-N 2 1 329.532 3.437 20 0 EGADMP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c(C)c1 ZINC000423074086 309384439 /nfs/dbraw/zinc/38/44/39/309384439.db2.gz TXLRUIQYYHBINL-AQNXPRMDSA-N 2 1 332.488 3.031 20 0 EGADMP C[C@H]([NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)[C@@H]1CCCC[NH2+]1 ZINC000423078709 309384841 /nfs/dbraw/zinc/38/48/41/309384841.db2.gz WNQMKBIEGTUSJL-KCUHQSDYSA-N 2 1 334.479 3.020 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423092484 309385537 /nfs/dbraw/zinc/38/55/37/309385537.db2.gz CAMMFNMDHJCBNK-WMQCIHAUSA-N 2 1 329.532 3.332 20 0 EGADMP FC(F)(F)COc1cnccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423096135 309385728 /nfs/dbraw/zinc/38/57/28/309385728.db2.gz GXNMQDBFMZVCPL-RRFJBIMHSA-N 2 1 343.393 3.033 20 0 EGADMP Clc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000423097818 309385882 /nfs/dbraw/zinc/38/58/82/309385882.db2.gz RFCZIZQGBJVGRF-WSIUPNEHSA-N 2 1 334.891 3.333 20 0 EGADMP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])cc2)c1 ZINC000423112094 309386451 /nfs/dbraw/zinc/38/64/51/309386451.db2.gz XBEVCRIQAGMPDM-WOJBJXKFSA-N 2 1 342.439 3.466 20 0 EGADMP COCc1nc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c(-c2ccccc2)s1 ZINC000423114518 309386729 /nfs/dbraw/zinc/38/67/29/309386729.db2.gz ZMBMBRPAGCUFPA-GDBMZVCRSA-N 2 1 345.512 3.434 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)c1nccn1-c1ccccc1 ZINC000423130836 309387455 /nfs/dbraw/zinc/38/74/55/309387455.db2.gz SFVTYWPDFGDCLI-HOCLYGCPSA-N 2 1 335.455 3.446 20 0 EGADMP Fc1cccc(Cl)c1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423169999 309388960 /nfs/dbraw/zinc/38/89/60/309388960.db2.gz KYRQBCGNNFGAPW-NKMGPIEYSA-N 2 1 338.854 3.082 20 0 EGADMP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423208812 309390507 /nfs/dbraw/zinc/39/05/07/309390507.db2.gz HYNIWHWYDKCOFS-IINYFYTJSA-N 2 1 327.241 3.165 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423260139 309392856 /nfs/dbraw/zinc/39/28/56/309392856.db2.gz PPWOYXNZGKWSEQ-GBAJDQEWSA-N 3 1 341.543 3.266 20 0 EGADMP [NH3+]C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CCCCC1 ZINC000423264300 309393007 /nfs/dbraw/zinc/39/30/07/309393007.db2.gz PUTJQNWSHNKWOI-KJJMTIBFSA-N 2 1 341.543 3.394 20 0 EGADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423287974 309394155 /nfs/dbraw/zinc/39/41/55/309394155.db2.gz PSSXUQUPLMUYSD-HNNXBMFYSA-N 2 1 338.455 3.301 20 0 EGADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000423320280 309394957 /nfs/dbraw/zinc/39/49/57/309394957.db2.gz DKEYQBIZFXEKBY-HLIPFELVSA-N 2 1 343.515 3.065 20 0 EGADMP [NH3+]C1(C[NH2+][C@@H]2CCSc3ccc(Br)cc32)CCC1 ZINC000423322907 309395067 /nfs/dbraw/zinc/39/50/67/309395067.db2.gz JESZSUNNDOSSEJ-GFCCVEGCSA-N 2 1 327.291 3.457 20 0 EGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCc3ccccc3C2)cc1 ZINC000423327269 309395331 /nfs/dbraw/zinc/39/53/31/309395331.db2.gz JYOTUIRXDSTBFP-ILWGZMRPSA-N 2 1 336.479 3.288 20 0 EGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CCC(F)(F)F)cc1 ZINC000423335966 309395696 /nfs/dbraw/zinc/39/56/96/309395696.db2.gz QGAGACWYNCPLCW-KCXAZCMYSA-N 2 1 330.394 3.461 20 0 EGADMP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000423334472 309395753 /nfs/dbraw/zinc/39/57/53/309395753.db2.gz OZGDEYPMWOVRQC-GJYPPUQNSA-N 2 1 329.488 3.245 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000423359928 309396940 /nfs/dbraw/zinc/39/69/40/309396940.db2.gz LEEPSPHGEYAXRG-XHSDSOJGSA-N 2 1 331.504 3.193 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]1 ZINC000423371311 309397652 /nfs/dbraw/zinc/39/76/52/309397652.db2.gz FITLARXIYRVLSZ-OHLDOZIISA-N 2 1 341.543 3.407 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]1 ZINC000423371311 309397653 /nfs/dbraw/zinc/39/76/53/309397653.db2.gz FITLARXIYRVLSZ-OHLDOZIISA-N 3 1 341.543 3.407 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]1 ZINC000423371311 309397654 /nfs/dbraw/zinc/39/76/54/309397654.db2.gz FITLARXIYRVLSZ-OHLDOZIISA-N 3 1 341.543 3.407 20 0 EGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423388211 309398174 /nfs/dbraw/zinc/39/81/74/309398174.db2.gz IHRLGRQNPMFGRB-OHLDOZIISA-N 3 1 341.543 3.265 20 0 EGADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423388211 309398175 /nfs/dbraw/zinc/39/81/75/309398175.db2.gz IHRLGRQNPMFGRB-OHLDOZIISA-N 2 1 341.543 3.265 20 0 EGADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423388211 309398176 /nfs/dbraw/zinc/39/81/76/309398176.db2.gz IHRLGRQNPMFGRB-OHLDOZIISA-N 2 1 341.543 3.265 20 0 EGADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1Cl ZINC000423488802 309402477 /nfs/dbraw/zinc/40/24/77/309402477.db2.gz FACSAMUGAXMMHA-DZGCQCFKSA-N 2 1 326.868 3.156 20 0 EGADMP Cc1cc(F)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(F)c1 ZINC000425323243 309473239 /nfs/dbraw/zinc/47/32/39/309473239.db2.gz ISEHVDDHESMMGN-UHFFFAOYSA-N 2 1 338.442 3.208 20 0 EGADMP Cc1ccc(-c2noc(CCC[NH2+][C@@](C)(C[NH3+])C(C)C)n2)cc1F ZINC000430574128 309611305 /nfs/dbraw/zinc/61/13/05/309611305.db2.gz IKBMLAALGHSLMM-SFHVURJKSA-N 2 1 334.439 3.080 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)c(Cl)c1 ZINC000430922178 309621119 /nfs/dbraw/zinc/62/11/19/309621119.db2.gz XZVAYOVDRXKUFJ-UONOGXRCSA-N 2 1 337.895 3.343 20 0 EGADMP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000430940756 309621634 /nfs/dbraw/zinc/62/16/34/309621634.db2.gz QYAUFEHVYMXXDF-MNOVXSKESA-N 2 1 344.286 3.380 20 0 EGADMP CS[C@@H]1CN(c2cc[nH+]c3cc(F)ccc32)C[C@@H]1[NH+]1CCCC1 ZINC000445597006 309943972 /nfs/dbraw/zinc/94/39/72/309943972.db2.gz QEQAYWYUUCHAME-ZWKOTPCHSA-N 2 1 331.460 3.390 20 0 EGADMP CCn1nnc(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000449081563 310035537 /nfs/dbraw/zinc/03/55/37/310035537.db2.gz GFNYNFQALPTBGS-INIZCTEOSA-N 2 1 341.503 3.128 20 0 EGADMP CCn1nnc(C)c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000449081563 310035538 /nfs/dbraw/zinc/03/55/38/310035538.db2.gz GFNYNFQALPTBGS-INIZCTEOSA-N 2 1 341.503 3.128 20 0 EGADMP CC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC000449082737 310035737 /nfs/dbraw/zinc/03/57/37/310035737.db2.gz PMBIQLQWYUPMNK-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccnn1C1CCCC1 ZINC000449107353 310037636 /nfs/dbraw/zinc/03/76/36/310037636.db2.gz POXSZTDMTFTYDM-UHFFFAOYSA-N 2 1 342.487 3.228 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CSC[C@@H]3C)CC2)cs1 ZINC000449150474 310040653 /nfs/dbraw/zinc/04/06/53/310040653.db2.gz RHFPPGGUSBIOIY-XJKSGUPXSA-N 2 1 339.574 3.259 20 0 EGADMP CCc1nn(C)cc1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449254180 310047734 /nfs/dbraw/zinc/04/77/34/310047734.db2.gz WLZBHYDOGFJCQD-KRWDZBQOSA-N 2 1 340.515 3.168 20 0 EGADMP FCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCOCC1 ZINC000449488021 310066100 /nfs/dbraw/zinc/06/61/00/310066100.db2.gz BUTGMAVSGKURBE-HSALFYBXSA-N 2 1 346.490 3.253 20 0 EGADMP Cc1ncc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)n1-c1ccccc1 ZINC000449555480 310071478 /nfs/dbraw/zinc/07/14/78/310071478.db2.gz QJZMLKYAUHKXNU-UWVAXJGDSA-N 2 1 325.456 3.164 20 0 EGADMP CC(C)Oc1ccc2[nH+]ccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000450253046 310111300 /nfs/dbraw/zinc/11/13/00/310111300.db2.gz LUKXFDDHUGMMCW-HZPDHXFCSA-N 2 1 325.456 3.483 20 0 EGADMP CCc1ccc2[nH+]ccc(N3CC[C@@H]([NH+]4CCN(CC)CC4)C3)c2c1 ZINC000450316906 310115036 /nfs/dbraw/zinc/11/50/36/310115036.db2.gz IRVANJUUWGZUQO-GOSISDBHSA-N 2 1 338.499 3.013 20 0 EGADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000450604632 310132863 /nfs/dbraw/zinc/13/28/63/310132863.db2.gz XBSQPYWZTPGWIL-XRULBBBTSA-N 2 1 328.500 3.100 20 0 EGADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000450604632 310132864 /nfs/dbraw/zinc/13/28/64/310132864.db2.gz XBSQPYWZTPGWIL-XRULBBBTSA-N 2 1 328.500 3.100 20 0 EGADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000450604632 310132865 /nfs/dbraw/zinc/13/28/65/310132865.db2.gz XBSQPYWZTPGWIL-XRULBBBTSA-N 2 1 328.500 3.100 20 0 EGADMP c1nnsc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000450648168 310134991 /nfs/dbraw/zinc/13/49/91/310134991.db2.gz ORXCOQWJLYQRQV-UHFFFAOYSA-N 2 1 328.485 3.026 20 0 EGADMP c1nnsc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000450648168 310134992 /nfs/dbraw/zinc/13/49/92/310134992.db2.gz ORXCOQWJLYQRQV-UHFFFAOYSA-N 2 1 328.485 3.026 20 0 EGADMP CC(=O)N1CCCN(C[C@H]2CCC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC000451535455 310183683 /nfs/dbraw/zinc/18/36/83/310183683.db2.gz OQCQUPACRKYYQK-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CCCC3CCCC3)C2)CC1 ZINC000451535455 310183684 /nfs/dbraw/zinc/18/36/84/310183684.db2.gz OQCQUPACRKYYQK-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CCCC3CCCC3)C2)CC1 ZINC000451535455 310183685 /nfs/dbraw/zinc/18/36/85/310183685.db2.gz OQCQUPACRKYYQK-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CCCC3CCCC3)C2)CC1 ZINC000451535455 310183686 /nfs/dbraw/zinc/18/36/86/310183686.db2.gz OQCQUPACRKYYQK-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC000451535455 310183687 /nfs/dbraw/zinc/18/36/87/310183687.db2.gz OQCQUPACRKYYQK-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP C(=C\C[N@H+]1CCSC[C@@H]1C1CC1)\C[NH+]1CCSC[C@H]1C1CC1 ZINC000451646437 310191204 /nfs/dbraw/zinc/19/12/04/310191204.db2.gz FLPIVRVIZYQCGN-OEHAVNEVSA-N 2 1 338.586 3.197 20 0 EGADMP C(=C\C[N@@H+]1CCSC[C@H]1C1CC1)\C[NH+]1CCSC[C@@H]1C1CC1 ZINC000451646437 310191205 /nfs/dbraw/zinc/19/12/05/310191205.db2.gz FLPIVRVIZYQCGN-OEHAVNEVSA-N 2 1 338.586 3.197 20 0 EGADMP C(=C\C[N@H+]1CCSC[C@H]1C1CC1)\C[NH+]1CCSC[C@@H]1C1CC1 ZINC000451646437 310191206 /nfs/dbraw/zinc/19/12/06/310191206.db2.gz FLPIVRVIZYQCGN-OEHAVNEVSA-N 2 1 338.586 3.197 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2ccc3c[nH+]cn3c2)CCC1 ZINC000452730634 310239153 /nfs/dbraw/zinc/23/91/53/310239153.db2.gz MQMTVELKNOWSNH-UHFFFAOYSA-N 2 1 348.450 3.119 20 0 EGADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000453126344 310259669 /nfs/dbraw/zinc/25/96/69/310259669.db2.gz OWISTTUVUSEFSO-MOPGFXCFSA-N 2 1 330.497 3.426 20 0 EGADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000453126344 310259670 /nfs/dbraw/zinc/25/96/70/310259670.db2.gz OWISTTUVUSEFSO-MOPGFXCFSA-N 2 1 330.497 3.426 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(N2CCCC2=O)c1 ZINC000453366867 310273271 /nfs/dbraw/zinc/27/32/71/310273271.db2.gz TUYOOIHFLUTRND-MIGBEJBISA-N 2 1 327.472 3.089 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(N2CCCC2=O)c1 ZINC000453366867 310273272 /nfs/dbraw/zinc/27/32/72/310273272.db2.gz TUYOOIHFLUTRND-MIGBEJBISA-N 2 1 327.472 3.089 20 0 EGADMP C[C@@H](c1ccc(OCC[NH+](C)C)cc1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453390973 310274273 /nfs/dbraw/zinc/27/42/73/310274273.db2.gz XSTSANUXZZTRHO-FXAWDEMLSA-N 2 1 332.488 3.191 20 0 EGADMP Cc1cc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cn2cc[nH+]c12 ZINC000455652724 310371341 /nfs/dbraw/zinc/37/13/41/310371341.db2.gz HBUQGNYFCQUHGJ-HNNXBMFYSA-N 2 1 343.475 3.276 20 0 EGADMP Cc1cc(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cn2cc[nH+]c12 ZINC000455652724 310371342 /nfs/dbraw/zinc/37/13/42/310371342.db2.gz HBUQGNYFCQUHGJ-HNNXBMFYSA-N 2 1 343.475 3.276 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455872152 310380511 /nfs/dbraw/zinc/38/05/11/310380511.db2.gz YPSIEALRUYBKOU-DNVCBOLYSA-N 2 1 346.519 3.477 20 0 EGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455915661 310382183 /nfs/dbraw/zinc/38/21/83/310382183.db2.gz KNQRSPPYIVTENS-BEFAXECRSA-N 2 1 344.503 3.041 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455933207 310382690 /nfs/dbraw/zinc/38/26/90/310382690.db2.gz QLTYFQNQVSQWAF-KBXCAEBGSA-N 2 1 332.492 3.087 20 0 EGADMP CC[N@@H+](CCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C(C)C ZINC000455948853 310383192 /nfs/dbraw/zinc/38/31/92/310383192.db2.gz YLDSOKREUOMYGJ-GOSISDBHSA-N 2 1 332.492 3.087 20 0 EGADMP CC(C)c1ccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000484781863 310970176 /nfs/dbraw/zinc/97/01/76/310970176.db2.gz YKBFRFHVTWKVFC-NJDAHSKKSA-N 2 1 330.516 3.489 20 0 EGADMP C[C@H](NC(=O)CC[N@H+]1CCCC[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000487205971 311015886 /nfs/dbraw/zinc/01/58/86/311015886.db2.gz WFGCMXSJWWVMQX-UWVAXJGDSA-N 2 1 331.504 3.059 20 0 EGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000495605590 311584814 /nfs/dbraw/zinc/58/48/14/311584814.db2.gz WDWKIMPTHKEOEA-QZTJIDSGSA-N 2 1 347.503 3.360 20 0 EGADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1(C)C ZINC000507541178 312076849 /nfs/dbraw/zinc/07/68/49/312076849.db2.gz YIHLZSAJNQRMMU-LTFPLMDUSA-N 2 1 328.500 3.300 20 0 EGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000507954625 312085627 /nfs/dbraw/zinc/08/56/27/312085627.db2.gz WWUXRYSRIUSYBO-BVOGOJNSSA-N 2 1 330.516 3.285 20 0 EGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000507954625 312085629 /nfs/dbraw/zinc/08/56/29/312085629.db2.gz WWUXRYSRIUSYBO-BVOGOJNSSA-N 2 1 330.516 3.285 20 0 EGADMP C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714073 312100567 /nfs/dbraw/zinc/10/05/67/312100567.db2.gz GWDNDPFSPRVICJ-NRDMVMEKSA-N 2 1 330.516 3.428 20 0 EGADMP Cc1cnn(C)c1C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512046031 312174066 /nfs/dbraw/zinc/17/40/66/312174066.db2.gz PUMAUMPPLSVNCB-HKUYNNGSSA-N 2 1 326.488 3.119 20 0 EGADMP CC[N@@H+](CCN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512622922 312190691 /nfs/dbraw/zinc/19/06/91/312190691.db2.gz CRCDMQSBSCHXPY-ILWGZMRPSA-N 2 1 341.543 3.361 20 0 EGADMP CC[NH+](CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512622922 312190694 /nfs/dbraw/zinc/19/06/94/312190694.db2.gz CRCDMQSBSCHXPY-ILWGZMRPSA-N 3 1 341.543 3.361 20 0 EGADMP CC[NH+](CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512622922 312190696 /nfs/dbraw/zinc/19/06/96/312190696.db2.gz CRCDMQSBSCHXPY-ILWGZMRPSA-N 3 1 341.543 3.361 20 0 EGADMP CCN(CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512622922 312190699 /nfs/dbraw/zinc/19/06/99/312190699.db2.gz CRCDMQSBSCHXPY-ILWGZMRPSA-N 3 1 341.543 3.361 20 0 EGADMP CCN(CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512622922 312190702 /nfs/dbraw/zinc/19/07/02/312190702.db2.gz CRCDMQSBSCHXPY-ILWGZMRPSA-N 3 1 341.543 3.361 20 0 EGADMP Cc1n[nH]c(C)c1C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513495476 312211773 /nfs/dbraw/zinc/21/17/73/312211773.db2.gz QFXSZZXFGXDXMK-BEFAXECRSA-N 2 1 326.488 3.417 20 0 EGADMP c1cnn(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000513677877 312215297 /nfs/dbraw/zinc/21/52/97/312215297.db2.gz DHEWRGHYAUEBGP-PCCBWWKXSA-N 2 1 338.499 3.164 20 0 EGADMP Cc1cc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cn2cc[nH+]c12 ZINC000515997417 312305146 /nfs/dbraw/zinc/30/51/46/312305146.db2.gz LQBRMEFRGCHVSN-CABCVRRESA-N 2 1 329.448 3.027 20 0 EGADMP Cc1cc(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cn2cc[nH+]c12 ZINC000515997417 312305149 /nfs/dbraw/zinc/30/51/49/312305149.db2.gz LQBRMEFRGCHVSN-CABCVRRESA-N 2 1 329.448 3.027 20 0 EGADMP Cc1ccncc1C[NH+](C)CCCC[N@H+](C)Cc1cnccc1C ZINC000516523718 312327128 /nfs/dbraw/zinc/32/71/28/312327128.db2.gz PFBOSYUWZUKUTR-UHFFFAOYSA-N 2 1 326.488 3.437 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2nc(C3CC3)nn2C)CC1 ZINC000516565658 312329972 /nfs/dbraw/zinc/32/99/72/312329972.db2.gz HLRBRXGFPROLLT-MRXNPFEDSA-N 2 1 345.535 3.169 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528355911 313072648 /nfs/dbraw/zinc/07/26/48/313072648.db2.gz QEYSKACQYFSCDI-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000536709312 314141021 /nfs/dbraw/zinc/14/10/21/314141021.db2.gz AQIXAZJUJQMGMM-CTNGQTDRSA-N 2 1 329.532 3.281 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC1)CC(C)C ZINC000536887283 314152126 /nfs/dbraw/zinc/15/21/26/314152126.db2.gz WZEAPAOWPCUMLQ-KRWDZBQOSA-N 2 1 339.568 3.370 20 0 EGADMP COC(C)(C)C[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000537725046 314205240 /nfs/dbraw/zinc/20/52/40/314205240.db2.gz MBXDTBDHBVOPIM-UHFFFAOYSA-N 2 1 333.520 3.074 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H](Nc2ccc3c(c2)[nH+]cn3C)[C@H](C)C1 ZINC000538640950 314259912 /nfs/dbraw/zinc/25/99/12/314259912.db2.gz VOPOWZNGMXKVGQ-WBVHZDCISA-N 2 1 330.476 3.122 20 0 EGADMP CCOCCC[N@H+]1CC[C@H](Nc2ccc3c(c2)[nH+]cn3C)[C@H](C)C1 ZINC000538640950 314259915 /nfs/dbraw/zinc/25/99/15/314259915.db2.gz VOPOWZNGMXKVGQ-WBVHZDCISA-N 2 1 330.476 3.122 20 0 EGADMP OC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000548399658 315005018 /nfs/dbraw/zinc/00/50/18/315005018.db2.gz PALZOBGXGQBENY-MRXNPFEDSA-N 2 1 330.394 3.204 20 0 EGADMP CCC(CC)(C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC ZINC000548486953 315015943 /nfs/dbraw/zinc/01/59/43/315015943.db2.gz KUYLZRQYJZXSNN-IEBWSBKVSA-N 2 1 346.515 3.466 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC000548858587 315055359 /nfs/dbraw/zinc/05/53/59/315055359.db2.gz OJBKBQXZTALWOO-YZGWKJHDSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC000548858587 315055363 /nfs/dbraw/zinc/05/53/63/315055363.db2.gz OJBKBQXZTALWOO-YZGWKJHDSA-N 2 1 328.500 3.446 20 0 EGADMP C(C1CC1)[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](CC4CC4)C3)COC2)C1 ZINC000550048546 315114388 /nfs/dbraw/zinc/11/43/88/315114388.db2.gz GFZNWIMJPQYKHS-BGYRXZFFSA-N 2 1 332.532 3.247 20 0 EGADMP C(C1CC1)[C@@H]1CC[N@@H+](CC2(C[NH+]3CC[C@H](CC4CC4)C3)COC2)C1 ZINC000550048546 315114391 /nfs/dbraw/zinc/11/43/91/315114391.db2.gz GFZNWIMJPQYKHS-BGYRXZFFSA-N 2 1 332.532 3.247 20 0 EGADMP C(C1CC1)[C@@H]1CC[N@H+](CC2(C[NH+]3CC[C@H](CC4CC4)C3)COC2)C1 ZINC000550048546 315114393 /nfs/dbraw/zinc/11/43/93/315114393.db2.gz GFZNWIMJPQYKHS-BGYRXZFFSA-N 2 1 332.532 3.247 20 0 EGADMP CC(C[NH+]1CCCO[C@H](C(C)C)C1)C[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000550189000 315119791 /nfs/dbraw/zinc/11/97/91/315119791.db2.gz PJVBVIPWDDILDF-PMACEKPBSA-N 2 1 340.552 3.116 20 0 EGADMP CC(C)(O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552065123 315194829 /nfs/dbraw/zinc/19/48/29/315194829.db2.gz FYSSUZQQWZUPFU-VAMGGRTRSA-N 2 1 330.516 3.428 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC23CCOCC3)cc1F ZINC000554561241 315333087 /nfs/dbraw/zinc/33/30/87/315333087.db2.gz PRKCVNJZPCUGTC-GOSISDBHSA-N 2 1 329.419 3.369 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1Oc1ccncc1 ZINC000554795427 315349122 /nfs/dbraw/zinc/34/91/22/315349122.db2.gz DTQGQMRVKOGCFH-KDOFPFPSSA-N 2 1 337.423 3.086 20 0 EGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)C(C)C)CC1 ZINC000555341890 315380111 /nfs/dbraw/zinc/38/01/11/315380111.db2.gz QZGCFQWWLMOWIL-GOSISDBHSA-N 2 1 345.531 3.052 20 0 EGADMP Cc1ccnc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000556864572 315477861 /nfs/dbraw/zinc/47/78/61/315477861.db2.gz VDXPMPIJBZDMSZ-SJLPKXTDSA-N 2 1 344.528 3.091 20 0 EGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3C=CCCCCC3)CC2)CC1 ZINC000559795020 315645585 /nfs/dbraw/zinc/64/55/85/315645585.db2.gz HFGDKNSVPJOLCS-FQEVSTJZSA-N 2 1 347.547 3.142 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000563354295 316004384 /nfs/dbraw/zinc/00/43/84/316004384.db2.gz QOFHPYICEPOAPW-IEBWSBKVSA-N 2 1 331.435 3.344 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000563354295 316004387 /nfs/dbraw/zinc/00/43/87/316004387.db2.gz QOFHPYICEPOAPW-IEBWSBKVSA-N 2 1 331.435 3.344 20 0 EGADMP COc1sc(CNC[C@H]2CC[N@H+](C(C)C)C2)cc1Br ZINC000564319818 316135406 /nfs/dbraw/zinc/13/54/06/316135406.db2.gz NRENLJIGVLGFKR-LLVKDONJSA-N 2 1 347.322 3.339 20 0 EGADMP Cc1cnc2cc(C(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)ccn12 ZINC000564352931 316141825 /nfs/dbraw/zinc/14/18/25/316141825.db2.gz YODBJOZPDYTVDQ-WBVHZDCISA-N 2 1 340.471 3.026 20 0 EGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CC[NH+](C)C1CCCCC1 ZINC000564698893 316188834 /nfs/dbraw/zinc/18/88/34/316188834.db2.gz UVEIJGJXASKYOG-GOSISDBHSA-N 2 1 345.531 3.278 20 0 EGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000564698893 316188839 /nfs/dbraw/zinc/18/88/39/316188839.db2.gz UVEIJGJXASKYOG-GOSISDBHSA-N 2 1 345.531 3.278 20 0 EGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000564698893 316188842 /nfs/dbraw/zinc/18/88/42/316188842.db2.gz UVEIJGJXASKYOG-GOSISDBHSA-N 2 1 345.531 3.278 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000564822827 316212640 /nfs/dbraw/zinc/21/26/40/316212640.db2.gz RRZSCRJDDCPPHN-BDTNDASRSA-N 3 1 341.543 3.266 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000565242583 316297774 /nfs/dbraw/zinc/29/77/74/316297774.db2.gz GFCNNOJEDIAJLI-RYUDHWBXSA-N 2 1 337.265 3.336 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000565770158 316367908 /nfs/dbraw/zinc/36/79/08/316367908.db2.gz HHFSVZRIUWYHJP-OCCSQVGLSA-N 2 1 343.393 3.106 20 0 EGADMP C[C@H](C[NH+]1CCC(C)CC1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000566499831 316487879 /nfs/dbraw/zinc/48/78/79/316487879.db2.gz DRNDCTKCDRAKPP-OAHLLOKOSA-N 2 1 335.458 3.113 20 0 EGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCOCC(F)(F)F)C2)CC1 ZINC000154707492 454921356 /nfs/dbraw/zinc/92/13/56/454921356.db2.gz FDQZJIKWSVRGPK-INIZCTEOSA-N 2 1 336.442 3.399 20 0 EGADMP Cc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(Cl)c1 ZINC000569649516 316942298 /nfs/dbraw/zinc/94/22/98/316942298.db2.gz YRAMOQYCLSKSJD-UHFFFAOYSA-N 2 1 344.846 3.048 20 0 EGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000571770159 317246001 /nfs/dbraw/zinc/24/60/01/317246001.db2.gz NZRVECAKGHJOSM-ZFWWWQNUSA-N 2 1 345.409 3.423 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3[C@H](C)CCC[C@@H]3C)CC2)CC1 ZINC000572421869 317336189 /nfs/dbraw/zinc/33/61/89/317336189.db2.gz LQZSFDDMELHSBN-YRWFTTLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000171384558 323232613 /nfs/dbraw/zinc/23/26/13/323232613.db2.gz NRPLBZCTKCFIRR-QZTJIDSGSA-N 2 1 345.531 3.134 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000178009147 323349685 /nfs/dbraw/zinc/34/96/85/323349685.db2.gz ASTCOJCONVHXSV-WBMJQRKESA-N 2 1 343.284 3.451 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379680650 324241539 /nfs/dbraw/zinc/24/15/39/324241539.db2.gz NJLUXDYFLMEBQJ-FUHWJXTLSA-N 2 1 333.520 3.037 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000379861558 324242916 /nfs/dbraw/zinc/24/29/16/324242916.db2.gz SHMQZGJDSKHZFC-QBPKDAKJSA-N 2 1 339.524 3.285 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000379861558 324242921 /nfs/dbraw/zinc/24/29/21/324242921.db2.gz SHMQZGJDSKHZFC-QBPKDAKJSA-N 2 1 339.524 3.285 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000382766624 324254180 /nfs/dbraw/zinc/25/41/80/324254180.db2.gz VUMUYMBLXPALAL-IEBWSBKVSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386483753 324267874 /nfs/dbraw/zinc/26/78/74/324267874.db2.gz IUAOAMYNMGXKGU-WMQCIHAUSA-N 2 1 336.479 3.490 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1(CN[C@H]2CC[NH+]3CCC[C@@H]3C2)CCC1 ZINC000387371626 324270743 /nfs/dbraw/zinc/27/07/43/324270743.db2.gz IHJIAVSCDSDTEL-VQTJNVASSA-N 2 1 327.516 3.258 20 0 EGADMP C[NH+](Cc1ccccc1)C1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000387371626 324270748 /nfs/dbraw/zinc/27/07/48/324270748.db2.gz IHJIAVSCDSDTEL-VQTJNVASSA-N 2 1 327.516 3.258 20 0 EGADMP C[NH+](Cc1ccccc1)C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000387371626 324270751 /nfs/dbraw/zinc/27/07/51/324270751.db2.gz IHJIAVSCDSDTEL-VQTJNVASSA-N 2 1 327.516 3.258 20 0 EGADMP CN(Cc1ccccc1)C1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000387371626 324270754 /nfs/dbraw/zinc/27/07/54/324270754.db2.gz IHJIAVSCDSDTEL-VQTJNVASSA-N 2 1 327.516 3.258 20 0 EGADMP C[N@@H+](CCCC[NH2+]C[C@H](O)Cc1ccc2ccccc2c1)C1CC1 ZINC000578880226 325032517 /nfs/dbraw/zinc/03/25/17/325032517.db2.gz CQDVKCHVAIARRU-OAQYLSRUSA-N 2 1 326.484 3.207 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000579022580 325052277 /nfs/dbraw/zinc/05/22/77/325052277.db2.gz GVWXKZFYJDSHQJ-CABCVRRESA-N 2 1 328.460 3.412 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000579022580 325052279 /nfs/dbraw/zinc/05/22/79/325052279.db2.gz GVWXKZFYJDSHQJ-CABCVRRESA-N 2 1 328.460 3.412 20 0 EGADMP C[C@H](c1cccc2ccccc21)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000580414194 325247278 /nfs/dbraw/zinc/24/72/78/325247278.db2.gz HHMNDOPJMVGCST-CRAIPNDOSA-N 2 1 335.455 3.288 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCCOC4)[C@H]3C2)cc1 ZINC000580976062 325316207 /nfs/dbraw/zinc/31/62/07/325316207.db2.gz SHTOCPXCAFKTAL-WOZUAGRISA-N 2 1 328.500 3.446 20 0 EGADMP O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000581380833 325356877 /nfs/dbraw/zinc/35/68/77/325356877.db2.gz GXCUPYZEEFBYME-VNTMZGSJSA-N 2 1 341.499 3.003 20 0 EGADMP C[C@H](C[NH2+][C@H](C)c1cncc(Br)c1)C[NH+]1CCCC1 ZINC000581737324 325387758 /nfs/dbraw/zinc/38/77/58/325387758.db2.gz DIYZWEDVVHPLDA-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000438094488 458530412 /nfs/dbraw/zinc/53/04/12/458530412.db2.gz FENFLNJILPJWIP-MRXNPFEDSA-N 2 1 328.859 3.412 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)cc1 ZINC000264633005 455253144 /nfs/dbraw/zinc/25/31/44/455253144.db2.gz MJCGVPPVARLGTA-SFHVURJKSA-N 2 1 343.515 3.133 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000264633005 455253149 /nfs/dbraw/zinc/25/31/49/455253149.db2.gz MJCGVPPVARLGTA-SFHVURJKSA-N 2 1 343.515 3.133 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000264633005 455253156 /nfs/dbraw/zinc/25/31/56/455253156.db2.gz MJCGVPPVARLGTA-SFHVURJKSA-N 2 1 343.515 3.133 20 0 EGADMP Cn1ccnc1[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000183262868 455264258 /nfs/dbraw/zinc/26/42/58/455264258.db2.gz VNFORPRAHYPQDY-MAUKXSAKSA-N 2 1 344.528 3.435 20 0 EGADMP Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000183262868 455264263 /nfs/dbraw/zinc/26/42/63/455264263.db2.gz VNFORPRAHYPQDY-MAUKXSAKSA-N 2 1 344.528 3.435 20 0 EGADMP CCc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)o1 ZINC000180987206 455272799 /nfs/dbraw/zinc/27/27/99/455272799.db2.gz TYMJPERERDRHRS-GOSISDBHSA-N 2 1 328.456 3.089 20 0 EGADMP CCc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)o1 ZINC000180987206 455272804 /nfs/dbraw/zinc/27/28/04/455272804.db2.gz TYMJPERERDRHRS-GOSISDBHSA-N 2 1 328.456 3.089 20 0 EGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000183310027 455276003 /nfs/dbraw/zinc/27/60/03/455276003.db2.gz VXJCRFURUNAICC-KRWDZBQOSA-N 2 1 348.487 3.011 20 0 EGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccncc1 ZINC000245546884 455327138 /nfs/dbraw/zinc/32/71/38/455327138.db2.gz VWQUOTAREMFTCB-RXVVDRJESA-N 2 1 338.499 3.111 20 0 EGADMP Cc1ccc(C)c(NC(=O)[C@@H](C)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158919396 455337268 /nfs/dbraw/zinc/33/72/68/455337268.db2.gz NYSGKNFAKJMURS-ZHALLVOQSA-N 2 1 329.488 3.047 20 0 EGADMP Cc1ccc(C)c(NC(=O)[C@H](C)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158919529 455337644 /nfs/dbraw/zinc/33/76/44/455337644.db2.gz NYSGKNFAKJMURS-YQVWRLOYSA-N 2 1 329.488 3.047 20 0 EGADMP Cc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)c2ccccc2[nH+]1 ZINC000029626084 453830380 /nfs/dbraw/zinc/83/03/80/453830380.db2.gz SLVBBEQJQAZMDY-LJQANCHMSA-N 2 1 343.496 3.163 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000081568987 453888379 /nfs/dbraw/zinc/88/83/79/453888379.db2.gz XIEPYXRZLZAOOA-OAHLLOKOSA-N 2 1 337.895 3.332 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000081568987 453888382 /nfs/dbraw/zinc/88/83/82/453888382.db2.gz XIEPYXRZLZAOOA-OAHLLOKOSA-N 2 1 337.895 3.332 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000081568987 453888383 /nfs/dbraw/zinc/88/83/83/453888383.db2.gz XIEPYXRZLZAOOA-OAHLLOKOSA-N 2 1 337.895 3.332 20 0 EGADMP CC[NH2+]CC1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000053658856 453891768 /nfs/dbraw/zinc/89/17/68/453891768.db2.gz VYRKAICZPYMKAE-UHFFFAOYSA-N 2 1 329.257 3.410 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000056999171 454095158 /nfs/dbraw/zinc/09/51/58/454095158.db2.gz FPRSROGEFJSBAE-IXDOHACOSA-N 2 1 349.519 3.218 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCNc2cccc(Br)c2)[C@@H](C)C1 ZINC000246034433 455415966 /nfs/dbraw/zinc/41/59/66/455415966.db2.gz WJPVEGQXCUASKP-BBRMVZONSA-N 2 1 340.309 3.181 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000089627780 454170266 /nfs/dbraw/zinc/17/02/66/454170266.db2.gz SFDDCBIWOOHROP-RYRKJORJSA-N 2 1 327.472 3.322 20 0 EGADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000089697642 454178768 /nfs/dbraw/zinc/17/87/68/454178768.db2.gz WAVWBODLRDMAIW-QGZVFWFLSA-N 2 1 343.298 3.417 20 0 EGADMP CCC[C@H](NC(=O)C[N@H+](C)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000130475636 454200586 /nfs/dbraw/zinc/20/05/86/454200586.db2.gz FLQSVMSQQWQNHE-IBGZPJMESA-N 2 1 342.487 3.171 20 0 EGADMP CCC[C@H](NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000130475636 454200593 /nfs/dbraw/zinc/20/05/93/454200593.db2.gz FLQSVMSQQWQNHE-IBGZPJMESA-N 2 1 342.487 3.171 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000119716390 454215641 /nfs/dbraw/zinc/21/56/41/454215641.db2.gz GEYFGADNUCKXBS-OAHLLOKOSA-N 2 1 327.472 3.091 20 0 EGADMP CC(C)N(CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000131561424 454265564 /nfs/dbraw/zinc/26/55/64/454265564.db2.gz FCEAQYMLVNDTEC-HOTGVXAUSA-N 2 1 327.513 3.094 20 0 EGADMP CC(C)N(CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000131561232 454265603 /nfs/dbraw/zinc/26/56/03/454265603.db2.gz FCEAQYMLVNDTEC-CVEARBPZSA-N 2 1 327.513 3.094 20 0 EGADMP Cc1ccc([C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[NH+]2CCCC2)o1 ZINC000078724363 454306181 /nfs/dbraw/zinc/30/61/81/454306181.db2.gz PRFNEUYHSZZCHZ-ROUUACIJSA-N 2 1 347.503 3.106 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)[C@H](C)C1 ZINC000090450560 454307429 /nfs/dbraw/zinc/30/74/29/454307429.db2.gz BRBCMIHMXRDZET-RISCZKNCSA-N 2 1 332.275 3.087 20 0 EGADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC1CC[NH+](Cc2ccccn2)CC1 ZINC000090666990 454334727 /nfs/dbraw/zinc/33/47/27/454334727.db2.gz ZMZHYOIPKVNBBF-NRFANRHFSA-N 2 1 344.547 3.146 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC1CC[NH+](Cc2ccccn2)CC1 ZINC000090666990 454334730 /nfs/dbraw/zinc/33/47/30/454334730.db2.gz ZMZHYOIPKVNBBF-NRFANRHFSA-N 2 1 344.547 3.146 20 0 EGADMP Cc1nc(COc2ccc(C[NH2+]C3CC[NH+](C)CC3)cc2)cs1 ZINC000072785971 454340330 /nfs/dbraw/zinc/34/03/30/454340330.db2.gz KVIQLNBXKYNQOU-UHFFFAOYSA-N 2 1 331.485 3.214 20 0 EGADMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1F ZINC000090937422 454353265 /nfs/dbraw/zinc/35/32/65/454353265.db2.gz ZFWUHLWXFGAREV-CYBMUJFWSA-N 2 1 335.398 3.151 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2c[nH]nc2-c2ccccc2)C[C@H](C)O1 ZINC000062252989 454371754 /nfs/dbraw/zinc/37/17/54/454371754.db2.gz QUJRKOYGWYPHEN-CALCHBBNSA-N 2 1 342.487 3.056 20 0 EGADMP CCOc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000133106499 454393411 /nfs/dbraw/zinc/39/34/11/454393411.db2.gz ZTVRMEVEFJKAOE-SJORKVTESA-N 2 1 332.488 3.237 20 0 EGADMP CCN(CC)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000079303754 454395442 /nfs/dbraw/zinc/39/54/42/454395442.db2.gz XBTIUVFGVWBVSS-ZWKOTPCHSA-N 2 1 345.531 3.408 20 0 EGADMP O[C@H](C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)C[NH+]1CCCC1 ZINC000091306338 454424365 /nfs/dbraw/zinc/42/43/65/454424365.db2.gz RYIWPFTWAXWAMS-SJORKVTESA-N 2 1 342.405 3.203 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1F ZINC000121443332 454435882 /nfs/dbraw/zinc/43/58/82/454435882.db2.gz JJFRXIAJNKOEDG-LZQZEXGQSA-N 2 1 341.430 3.367 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000121645924 454461611 /nfs/dbraw/zinc/46/16/11/454461611.db2.gz MYYRUACHGMNEAQ-NQIIRXRSSA-N 3 1 329.532 3.492 20 0 EGADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000121645924 454461614 /nfs/dbraw/zinc/46/16/14/454461614.db2.gz MYYRUACHGMNEAQ-NQIIRXRSSA-N 2 1 329.532 3.492 20 0 EGADMP Cc1cccc(NCCNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[nH+]1 ZINC000074086062 454530082 /nfs/dbraw/zinc/53/00/82/454530082.db2.gz UZAFITZJVBCSMI-UHFFFAOYSA-N 2 1 347.422 3.371 20 0 EGADMP CC[C@]1(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CCC[NH2+]1 ZINC000134564031 454560531 /nfs/dbraw/zinc/56/05/31/454560531.db2.gz VTFGHLJZDUHNRW-LAUBAEHRSA-N 2 1 343.515 3.067 20 0 EGADMP O[C@@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000134882755 454602569 /nfs/dbraw/zinc/60/25/69/454602569.db2.gz AXZZPRJUFHGDDD-LZQZEXGQSA-N 2 1 334.891 3.322 20 0 EGADMP O[C@@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000134882755 454602571 /nfs/dbraw/zinc/60/25/71/454602571.db2.gz AXZZPRJUFHGDDD-LZQZEXGQSA-N 2 1 334.891 3.322 20 0 EGADMP O[C@@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000134882755 454602573 /nfs/dbraw/zinc/60/25/73/454602573.db2.gz AXZZPRJUFHGDDD-LZQZEXGQSA-N 2 1 334.891 3.322 20 0 EGADMP O[C@@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000134882755 454602576 /nfs/dbraw/zinc/60/25/76/454602576.db2.gz AXZZPRJUFHGDDD-LZQZEXGQSA-N 2 1 334.891 3.322 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000066050722 454655666 /nfs/dbraw/zinc/65/56/66/454655666.db2.gz DNBRTYVJGWGLPD-ZHALLVOQSA-N 2 1 345.531 3.162 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000052208673 454661624 /nfs/dbraw/zinc/66/16/24/454661624.db2.gz OXVMVKKJJPIWOQ-UHFFFAOYSA-N 2 1 332.448 3.274 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000052208673 454661629 /nfs/dbraw/zinc/66/16/29/454661629.db2.gz OXVMVKKJJPIWOQ-UHFFFAOYSA-N 2 1 332.448 3.274 20 0 EGADMP CC(C)[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[NH+](C)C ZINC000106432690 454694674 /nfs/dbraw/zinc/69/46/74/454694674.db2.gz WALHRJXKPBDOBU-QFBILLFUSA-N 2 1 331.504 3.443 20 0 EGADMP CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000106458552 454696032 /nfs/dbraw/zinc/69/60/32/454696032.db2.gz JFZVZGFECZYVRV-YLJYHZDGSA-N 2 1 345.531 3.121 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc(OC)cc3)CCOCC2)[C@H](C)C1 ZINC000152659684 454708200 /nfs/dbraw/zinc/70/82/00/454708200.db2.gz NMINDMZBJUNVNR-YLJYHZDGSA-N 2 1 346.515 3.063 20 0 EGADMP COCCCOc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093604608 454723287 /nfs/dbraw/zinc/72/32/87/454723287.db2.gz VKAGAXCWBJHWLF-LJQANCHMSA-N 2 1 332.488 3.020 20 0 EGADMP COCCCOc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093604608 454723292 /nfs/dbraw/zinc/72/32/92/454723292.db2.gz VKAGAXCWBJHWLF-LJQANCHMSA-N 2 1 332.488 3.020 20 0 EGADMP COCCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683812 454728705 /nfs/dbraw/zinc/72/87/05/454728705.db2.gz AZNFBUXTEPGHLN-LJQANCHMSA-N 2 1 332.488 3.020 20 0 EGADMP COCCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683812 454728711 /nfs/dbraw/zinc/72/87/11/454728711.db2.gz AZNFBUXTEPGHLN-LJQANCHMSA-N 2 1 332.488 3.020 20 0 EGADMP CN(C(=O)CC(C)(C)C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124851109 454776025 /nfs/dbraw/zinc/77/60/25/454776025.db2.gz NGIAOFBTTNVZBI-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP COc1ccc(C[N@H+](C)CC[C@H]2CCC[NH+]2C)cc1OC(F)F ZINC000124892543 454780249 /nfs/dbraw/zinc/78/02/49/454780249.db2.gz MZBGFZUDDOHBPB-CQSZACIVSA-N 2 1 328.403 3.213 20 0 EGADMP COc1ccc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1OC(F)F ZINC000124892543 454780254 /nfs/dbraw/zinc/78/02/54/454780254.db2.gz MZBGFZUDDOHBPB-CQSZACIVSA-N 2 1 328.403 3.213 20 0 EGADMP COc1ccc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1OC(F)F ZINC000124892543 454780258 /nfs/dbraw/zinc/78/02/58/454780258.db2.gz MZBGFZUDDOHBPB-CQSZACIVSA-N 2 1 328.403 3.213 20 0 EGADMP COc1ccc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1OC(F)F ZINC000124892543 454780261 /nfs/dbraw/zinc/78/02/61/454780261.db2.gz MZBGFZUDDOHBPB-CQSZACIVSA-N 2 1 328.403 3.213 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000125071612 454795030 /nfs/dbraw/zinc/79/50/30/454795030.db2.gz DIUKIYVJNLTPLJ-RXVVDRJESA-N 3 1 329.532 3.492 20 0 EGADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000125071612 454795033 /nfs/dbraw/zinc/79/50/33/454795033.db2.gz DIUKIYVJNLTPLJ-RXVVDRJESA-N 2 1 329.532 3.492 20 0 EGADMP C[C@H](Cn1cccn1)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000138595480 454795410 /nfs/dbraw/zinc/79/54/10/454795410.db2.gz RCFHHHRQFNTBFO-QGZVFWFLSA-N 2 1 338.455 3.286 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](Cc2ccccc2)C2CC2)C[C@H](C)O1 ZINC000162844415 454804779 /nfs/dbraw/zinc/80/47/79/454804779.db2.gz MUCRCGFLBBIZLU-UEXGIBASSA-N 2 1 330.516 3.487 20 0 EGADMP C[C@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000153713461 454823957 /nfs/dbraw/zinc/82/39/57/454823957.db2.gz CISTVZYITFGOPD-PKOBYXMFSA-N 2 1 345.531 3.295 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(C2CCCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000153713461 454823960 /nfs/dbraw/zinc/82/39/60/454823960.db2.gz CISTVZYITFGOPD-PKOBYXMFSA-N 2 1 345.531 3.295 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000163121256 454824033 /nfs/dbraw/zinc/82/40/33/454824033.db2.gz DGQASXUSFLNMHG-FQEVSTJZSA-N 2 1 327.472 3.344 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000163121256 454824036 /nfs/dbraw/zinc/82/40/36/454824036.db2.gz DGQASXUSFLNMHG-FQEVSTJZSA-N 2 1 327.472 3.344 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000246291642 455465229 /nfs/dbraw/zinc/46/52/29/455465229.db2.gz NIQUNMAKDQWDRP-IYWMVGAKSA-N 2 1 349.563 3.397 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCOC[C@@H]2CCCO2)cc1 ZINC000163501418 454851831 /nfs/dbraw/zinc/85/18/31/454851831.db2.gz GFLKAXKPYHHAMG-JXFKEZNVSA-N 2 1 343.471 3.417 20 0 EGADMP COCCCCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177508037 454872122 /nfs/dbraw/zinc/87/21/22/454872122.db2.gz PPVYGHMVZWINBM-HDICACEKSA-N 2 1 326.525 3.014 20 0 EGADMP [NH3+]CC1CC[NH+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000150102406 454881107 /nfs/dbraw/zinc/88/11/07/454881107.db2.gz OFAMDQHXUSBJIJ-UHFFFAOYSA-N 2 1 339.439 3.088 20 0 EGADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCSC1 ZINC000154310310 454883870 /nfs/dbraw/zinc/88/38/70/454883870.db2.gz RGOYVNABSLWMNX-SFHVURJKSA-N 2 1 347.528 3.048 20 0 EGADMP COc1cc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc(OC)c1OC ZINC000164631224 454886101 /nfs/dbraw/zinc/88/61/01/454886101.db2.gz VGYDVVXQHKTCFW-CQSZACIVSA-N 2 1 347.459 3.348 20 0 EGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cnn(C)c1 ZINC000165292363 454898032 /nfs/dbraw/zinc/89/80/32/454898032.db2.gz WTRORUDDXDWVNW-UYAOXDASSA-N 2 1 326.488 3.025 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000165343628 454898675 /nfs/dbraw/zinc/89/86/75/454898675.db2.gz NXAJYAKAFFIOAV-MRXNPFEDSA-N 2 1 326.444 3.135 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCOc3cc(C)ccc32)CC1 ZINC000154467527 454899928 /nfs/dbraw/zinc/89/99/28/454899928.db2.gz YNRKKXXEOPMYMD-HXUWFJFHSA-N 2 1 345.531 3.216 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000151111607 454938740 /nfs/dbraw/zinc/93/87/40/454938740.db2.gz DWINREUUQLBBGP-GJZGRUSLSA-N 2 1 336.476 3.095 20 0 EGADMP CC(C)CC[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000170643499 454947031 /nfs/dbraw/zinc/94/70/31/454947031.db2.gz MTYWIZODLSKCMO-UHFFFAOYSA-N 2 1 349.544 3.152 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccccc23)[C@H](C)C1 ZINC000151313660 454967430 /nfs/dbraw/zinc/96/74/30/454967430.db2.gz IBJZYJLXFTWBGV-XLIONFOSSA-N 2 1 343.515 3.437 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(OC(F)(F)F)c1 ZINC000151379842 454977320 /nfs/dbraw/zinc/97/73/20/454977320.db2.gz BDXMKGPHDIQFJQ-CYBMUJFWSA-N 2 1 346.393 3.083 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000155370752 454992971 /nfs/dbraw/zinc/99/29/71/454992971.db2.gz ZPCKBFDEMPFGFK-NHYWBVRUSA-N 2 1 329.257 3.061 20 0 EGADMP C[C@H](C[NH+]1CCCCC1)N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000151856280 455039908 /nfs/dbraw/zinc/03/99/08/455039908.db2.gz YZAGSEKHAGRYGB-QZTJIDSGSA-N 2 1 333.520 3.152 20 0 EGADMP CCCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H](C)c1ccccc1 ZINC000128285408 455042914 /nfs/dbraw/zinc/04/29/14/455042914.db2.gz DXFYYZKWHWSTDF-SFHVURJKSA-N 2 1 345.531 3.450 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000600964420 460659597 /nfs/dbraw/zinc/65/95/97/460659597.db2.gz KMTCINVCOBLHEJ-IBGZPJMESA-N 2 1 329.488 3.138 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000600964420 460659601 /nfs/dbraw/zinc/65/96/01/460659601.db2.gz KMTCINVCOBLHEJ-IBGZPJMESA-N 2 1 329.488 3.138 20 0 EGADMP C[NH+](C)CCCC1CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000179705801 455069207 /nfs/dbraw/zinc/06/92/07/455069207.db2.gz YGKAXJKVVHXHNA-UHFFFAOYSA-N 2 1 340.309 3.398 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+]Cc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000635024473 460660219 /nfs/dbraw/zinc/66/02/19/460660219.db2.gz YIRPZUKFLNNCFH-UHFFFAOYSA-N 3 1 335.495 3.087 20 0 EGADMP COc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623655207 460661237 /nfs/dbraw/zinc/66/12/37/460661237.db2.gz RFFGFRBDUTZTQO-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP COc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623655207 460661241 /nfs/dbraw/zinc/66/12/41/460661241.db2.gz RFFGFRBDUTZTQO-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP C[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)[C@H]1CCOC1 ZINC000179955759 455105624 /nfs/dbraw/zinc/10/56/24/455105624.db2.gz IBZDWKVSCYONEX-AEFFLSMTSA-N 2 1 331.504 3.302 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656195 460662563 /nfs/dbraw/zinc/66/25/63/460662563.db2.gz OWSWKPCAJGLVMN-AWEZNQCLSA-N 2 1 332.517 3.403 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656195 460662567 /nfs/dbraw/zinc/66/25/67/460662567.db2.gz OWSWKPCAJGLVMN-AWEZNQCLSA-N 2 1 332.517 3.403 20 0 EGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000623655675 460662924 /nfs/dbraw/zinc/66/29/24/460662924.db2.gz BMEMQVVIBJPSIC-GOSISDBHSA-N 2 1 339.483 3.482 20 0 EGADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000156407134 455115262 /nfs/dbraw/zinc/11/52/62/455115262.db2.gz YVNYSMQFNZOUCG-AEFFLSMTSA-N 2 1 339.439 3.179 20 0 EGADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000156407134 455115265 /nfs/dbraw/zinc/11/52/65/455115265.db2.gz YVNYSMQFNZOUCG-AEFFLSMTSA-N 2 1 339.439 3.179 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000623655675 460662927 /nfs/dbraw/zinc/66/29/27/460662927.db2.gz BMEMQVVIBJPSIC-GOSISDBHSA-N 2 1 339.483 3.482 20 0 EGADMP c1ccc(-c2noc(CC[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000119043014 455121724 /nfs/dbraw/zinc/12/17/24/455121724.db2.gz CNVAMSWBWHCYPS-SFHVURJKSA-N 2 1 340.471 3.229 20 0 EGADMP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3CCCC[N@H+]3C)c2)CC1 ZINC000600985376 460664813 /nfs/dbraw/zinc/66/48/13/460664813.db2.gz AKAPAQQMMMCWOQ-HXUWFJFHSA-N 2 1 343.515 3.019 20 0 EGADMP CCC[N@H+](CC)CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000156818281 455151635 /nfs/dbraw/zinc/15/16/35/455151635.db2.gz UCWZXYDLRGHCQM-UHFFFAOYSA-N 2 1 329.488 3.141 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000156818281 455151636 /nfs/dbraw/zinc/15/16/36/455151636.db2.gz UCWZXYDLRGHCQM-UHFFFAOYSA-N 2 1 329.488 3.141 20 0 EGADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157325020 455184316 /nfs/dbraw/zinc/18/43/16/455184316.db2.gz JNJBNJGWYMMBKT-GOSISDBHSA-N 2 1 325.456 3.391 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180524527 455189484 /nfs/dbraw/zinc/18/94/84/455189484.db2.gz SFVOSHCENQJRQN-KRWDZBQOSA-N 2 1 326.488 3.251 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180524527 455189488 /nfs/dbraw/zinc/18/94/88/455189488.db2.gz SFVOSHCENQJRQN-KRWDZBQOSA-N 2 1 326.488 3.251 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180524527 455189493 /nfs/dbraw/zinc/18/94/93/455189493.db2.gz SFVOSHCENQJRQN-KRWDZBQOSA-N 2 1 326.488 3.251 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180524527 455189499 /nfs/dbraw/zinc/18/94/99/455189499.db2.gz SFVOSHCENQJRQN-KRWDZBQOSA-N 2 1 326.488 3.251 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000180524404 455190004 /nfs/dbraw/zinc/19/00/04/455190004.db2.gz PNNPRYJCJJWPKZ-OAHLLOKOSA-N 2 1 332.517 3.312 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000180524404 455190007 /nfs/dbraw/zinc/19/00/07/455190007.db2.gz PNNPRYJCJJWPKZ-OAHLLOKOSA-N 2 1 332.517 3.312 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000180524404 455190009 /nfs/dbraw/zinc/19/00/09/455190009.db2.gz PNNPRYJCJJWPKZ-OAHLLOKOSA-N 2 1 332.517 3.312 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000180524404 455190011 /nfs/dbraw/zinc/19/00/11/455190011.db2.gz PNNPRYJCJJWPKZ-OAHLLOKOSA-N 2 1 332.517 3.312 20 0 EGADMP Cc1cnc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000180534872 455191787 /nfs/dbraw/zinc/19/17/87/455191787.db2.gz QDVCXBHJWPLGKS-GJZGRUSLSA-N 2 1 337.533 3.163 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2)C1 ZINC000237528437 455192128 /nfs/dbraw/zinc/19/21/28/455192128.db2.gz SVDOEJLVXMIFKS-APWZRJJASA-N 2 1 341.499 3.247 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000158668525 455320429 /nfs/dbraw/zinc/32/04/29/455320429.db2.gz UUXFQHMQHWMHIL-JGDUNROCSA-N 2 1 336.545 3.443 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccccn1 ZINC000158792111 455329548 /nfs/dbraw/zinc/32/95/48/455329548.db2.gz QWHSJZZNNFGJJO-IRXDYDNUSA-N 2 1 325.456 3.153 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccccn1 ZINC000158792111 455329551 /nfs/dbraw/zinc/32/95/51/455329551.db2.gz QWHSJZZNNFGJJO-IRXDYDNUSA-N 2 1 325.456 3.153 20 0 EGADMP CCCOc1ccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158808875 455330851 /nfs/dbraw/zinc/33/08/51/455330851.db2.gz YDBAQBMSQNDNBK-XLIONFOSSA-N 2 1 332.488 3.270 20 0 EGADMP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)n(-c2ccccc2)n1 ZINC000246282951 455464186 /nfs/dbraw/zinc/46/41/86/455464186.db2.gz BRMIUKCQXUZTBC-SZMVWBNQSA-N 2 1 326.488 3.184 20 0 EGADMP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)n(-c2ccccc2)n1 ZINC000246282951 455464189 /nfs/dbraw/zinc/46/41/89/455464189.db2.gz BRMIUKCQXUZTBC-SZMVWBNQSA-N 2 1 326.488 3.184 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CC2 ZINC000182263089 455475900 /nfs/dbraw/zinc/47/59/00/455475900.db2.gz YXCRNNRIECZAAF-RBBKRZOGSA-N 2 1 336.479 3.339 20 0 EGADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)o1 ZINC000182273723 455477826 /nfs/dbraw/zinc/47/78/26/455477826.db2.gz MKDAACQYRXKHIZ-QAPCUYQASA-N 2 1 328.456 3.259 20 0 EGADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)o1 ZINC000182273723 455477829 /nfs/dbraw/zinc/47/78/29/455477829.db2.gz MKDAACQYRXKHIZ-QAPCUYQASA-N 2 1 328.456 3.259 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246440826 455490889 /nfs/dbraw/zinc/49/08/89/455490889.db2.gz NISPYSYNDAISMM-GHTZIAJQSA-N 2 1 338.499 3.405 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000246491577 455500364 /nfs/dbraw/zinc/50/03/64/455500364.db2.gz RZWVKTAPOMZFEF-SJORKVTESA-N 2 1 332.488 3.476 20 0 EGADMP CC(C)O[C@H]1C[C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000185209547 455521484 /nfs/dbraw/zinc/52/14/84/455521484.db2.gz MCSRHANEZVJMAB-XDNAFOTISA-N 2 1 326.525 3.058 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246939960 455537040 /nfs/dbraw/zinc/53/70/40/455537040.db2.gz UBPDCDMFMODMJV-XFKSJGNHSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246939960 455537044 /nfs/dbraw/zinc/53/70/44/455537044.db2.gz UBPDCDMFMODMJV-XFKSJGNHSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246939960 455537048 /nfs/dbraw/zinc/53/70/48/455537048.db2.gz UBPDCDMFMODMJV-XFKSJGNHSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246939960 455537053 /nfs/dbraw/zinc/53/70/53/455537053.db2.gz UBPDCDMFMODMJV-XFKSJGNHSA-N 2 1 347.547 3.115 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@@H](C)C1 ZINC000247136488 455564994 /nfs/dbraw/zinc/56/49/94/455564994.db2.gz VYQPNRQNOZBJID-LPHOPBHVSA-N 3 1 335.561 3.280 20 0 EGADMP CCN1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@@H](C)C1 ZINC000247136488 455565000 /nfs/dbraw/zinc/56/50/00/455565000.db2.gz VYQPNRQNOZBJID-LPHOPBHVSA-N 2 1 335.561 3.280 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2F)[C@@H](C)C1 ZINC000247150026 455566005 /nfs/dbraw/zinc/56/60/05/455566005.db2.gz SVCTUTLUUFGRPF-ZWOKBUDYSA-N 2 1 336.495 3.483 20 0 EGADMP CCSc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000185544475 455575699 /nfs/dbraw/zinc/57/56/99/455575699.db2.gz SLMSENXBRFWJAW-KRWDZBQOSA-N 2 1 334.529 3.389 20 0 EGADMP CCCn1c(C)nnc1C[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000182730523 455576979 /nfs/dbraw/zinc/57/69/79/455576979.db2.gz KGLUXJCZVQUKQD-UHFFFAOYSA-N 2 1 335.540 3.331 20 0 EGADMP CCN(C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1CCCCC1 ZINC000185660343 455591122 /nfs/dbraw/zinc/59/11/22/455591122.db2.gz VFQHLKMVYSTLCW-ROUUACIJSA-N 2 1 349.563 3.410 20 0 EGADMP CCN(C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CCCCC1 ZINC000185660343 455591125 /nfs/dbraw/zinc/59/11/25/455591125.db2.gz VFQHLKMVYSTLCW-ROUUACIJSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000247361578 455592023 /nfs/dbraw/zinc/59/20/23/455592023.db2.gz QOJSJFDDERFDNG-CVEARBPZSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000247361578 455592027 /nfs/dbraw/zinc/59/20/27/455592027.db2.gz QOJSJFDDERFDNG-CVEARBPZSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H](NCC(=O)N(C)CC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682354 455595263 /nfs/dbraw/zinc/59/52/63/455595263.db2.gz KHWQMJZYJJBVEZ-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N(C)CC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682354 455595269 /nfs/dbraw/zinc/59/52/69/455595269.db2.gz KHWQMJZYJJBVEZ-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N(C)CC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682354 455595273 /nfs/dbraw/zinc/59/52/73/455595273.db2.gz KHWQMJZYJJBVEZ-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185708310 455602163 /nfs/dbraw/zinc/60/21/63/455602163.db2.gz SEVKRNZLZHXBJN-KSMMKXTCSA-N 2 1 338.442 3.241 20 0 EGADMP C[C@@H](NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccs1 ZINC000185718299 455604283 /nfs/dbraw/zinc/60/42/83/455604283.db2.gz XDHQEPJDWJQSGT-BZUAXINKSA-N 2 1 349.544 3.168 20 0 EGADMP C[C@@H](NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccs1 ZINC000185718299 455604287 /nfs/dbraw/zinc/60/42/87/455604287.db2.gz XDHQEPJDWJQSGT-BZUAXINKSA-N 2 1 349.544 3.168 20 0 EGADMP C[C@H]([NH2+]CCC(=O)OCc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185716777 455605313 /nfs/dbraw/zinc/60/53/13/455605313.db2.gz XLDUBQFHESVQAE-HKUYNNGSSA-N 2 1 344.499 3.363 20 0 EGADMP COc1cccc(OC)c1OC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000271359818 455610918 /nfs/dbraw/zinc/61/09/18/455610918.db2.gz ZUWILLMJAGYQBT-INIZCTEOSA-N 2 1 348.487 3.031 20 0 EGADMP COc1cccc(OC)c1OC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000271359818 455610926 /nfs/dbraw/zinc/61/09/26/455610926.db2.gz ZUWILLMJAGYQBT-INIZCTEOSA-N 2 1 348.487 3.031 20 0 EGADMP COc1c(C)cnc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000185737607 455611303 /nfs/dbraw/zinc/61/13/03/455611303.db2.gz CMVDQKRJVLZYAE-DLBZAZTESA-N 2 1 331.504 3.450 20 0 EGADMP COc1c(C)cnc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000185737607 455611306 /nfs/dbraw/zinc/61/13/06/455611306.db2.gz CMVDQKRJVLZYAE-DLBZAZTESA-N 2 1 331.504 3.450 20 0 EGADMP COc1ccccc1OCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185761096 455616744 /nfs/dbraw/zinc/61/67/44/455616744.db2.gz ZLKZPYWAIWBSHR-IRXDYDNUSA-N 2 1 332.488 3.317 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@H](c2ccccc2OC)[NH+]2CCCC2)[C@@H](C)C1 ZINC000247888404 455652547 /nfs/dbraw/zinc/65/25/47/455652547.db2.gz DPYPVYHFPYZKQV-YSIASYRMSA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2OC)N2CCCC2)[C@@H](C)C1 ZINC000247888404 455652549 /nfs/dbraw/zinc/65/25/49/455652549.db2.gz DPYPVYHFPYZKQV-YSIASYRMSA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2OC)N2CCCC2)[C@@H](C)C1 ZINC000247888404 455652551 /nfs/dbraw/zinc/65/25/51/455652551.db2.gz DPYPVYHFPYZKQV-YSIASYRMSA-N 2 1 345.531 3.152 20 0 EGADMP CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)[nH]1 ZINC000271519064 455669235 /nfs/dbraw/zinc/66/92/35/455669235.db2.gz OEABROQYAPYQGI-LSDHHAIUSA-N 2 1 345.491 3.280 20 0 EGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000248001058 455669375 /nfs/dbraw/zinc/66/93/75/455669375.db2.gz KJQMWVCPKKZYDY-KCITZHQASA-N 2 1 333.495 3.421 20 0 EGADMP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccn1 ZINC000271524005 455671746 /nfs/dbraw/zinc/67/17/46/455671746.db2.gz PVCPRJQVVONJQZ-UFYCRDLUSA-N 2 1 331.504 3.136 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000271532269 455675001 /nfs/dbraw/zinc/67/50/01/455675001.db2.gz RIKNXMLFGGEEIU-RDTXWAMCSA-N 2 1 328.460 3.078 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2cncc(Br)c2)C2CC2)CC[N@@H+]1C ZINC000284464283 455691104 /nfs/dbraw/zinc/69/11/04/455691104.db2.gz VIFBBJUTYFANLN-LYRGGWFBSA-N 2 1 338.293 3.368 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2cncc(Br)c2)C2CC2)CC[N@H+]1C ZINC000284464283 455691109 /nfs/dbraw/zinc/69/11/09/455691109.db2.gz VIFBBJUTYFANLN-LYRGGWFBSA-N 2 1 338.293 3.368 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)cc3cccnc32)CCCO1 ZINC000277905653 455703712 /nfs/dbraw/zinc/70/37/12/455703712.db2.gz PEOGWZDYAZMFNJ-HNNXBMFYSA-N 2 1 347.890 3.479 20 0 EGADMP CC[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000268514445 455704104 /nfs/dbraw/zinc/70/41/04/455704104.db2.gz DBYZYGSBLJCUSE-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000268514445 455704106 /nfs/dbraw/zinc/70/41/06/455704106.db2.gz DBYZYGSBLJCUSE-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000268514445 455704110 /nfs/dbraw/zinc/70/41/10/455704110.db2.gz DBYZYGSBLJCUSE-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000268514445 455704112 /nfs/dbraw/zinc/70/41/12/455704112.db2.gz DBYZYGSBLJCUSE-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1c[nH]c2ccccc12 ZINC000192842153 455705035 /nfs/dbraw/zinc/70/50/35/455705035.db2.gz VXZJSNDKAIITST-UHFFFAOYSA-N 2 1 342.531 3.406 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+][C@@H]4C[C@H]5CC[C@@H]4O5)[C@@H]3C2)cc1 ZINC000248401963 455713172 /nfs/dbraw/zinc/71/31/72/455713172.db2.gz MNGBZGVUMXZYQD-PZAQWVNCSA-N 2 1 326.484 3.197 20 0 EGADMP CC(C)OC(=O)CC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248400775 455713720 /nfs/dbraw/zinc/71/37/20/455713720.db2.gz QPLOJYLEWHKEQZ-YRWFTTLQSA-N 2 1 332.488 3.074 20 0 EGADMP CC(C)O[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000248827350 455732962 /nfs/dbraw/zinc/73/29/62/455732962.db2.gz MCSRHANEZVJMAB-XWTMOSNGSA-N 2 1 326.525 3.058 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cnc2ccsc2c1 ZINC000268959943 455745868 /nfs/dbraw/zinc/74/58/68/455745868.db2.gz XCGGGLDTUBOVGH-GOEBONIOSA-N 2 1 333.501 3.184 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000616995207 460692666 /nfs/dbraw/zinc/69/26/66/460692666.db2.gz NAPUBBMUUQOJMD-IEBWSBKVSA-N 2 1 345.531 3.306 20 0 EGADMP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000271761116 455750837 /nfs/dbraw/zinc/75/08/37/455750837.db2.gz ZPKLOBMEHNMZQE-IBGZPJMESA-N 2 1 332.463 3.438 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)OC(C)C ZINC000186377440 455754896 /nfs/dbraw/zinc/75/48/96/455754896.db2.gz JTMRTZNPUURZEP-HLIPFELVSA-N 2 1 332.488 3.378 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)OC(C)C ZINC000186377440 455754898 /nfs/dbraw/zinc/75/48/98/455754898.db2.gz JTMRTZNPUURZEP-HLIPFELVSA-N 2 1 332.488 3.378 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CC[C@@](C)(c4ccccc4)C3)C2)CC1 ZINC000249843030 455778325 /nfs/dbraw/zinc/77/83/25/455778325.db2.gz NWYCINIIEJPPDI-BHDDXSALSA-N 2 1 341.543 3.209 20 0 EGADMP CCCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000253369992 455834736 /nfs/dbraw/zinc/83/47/36/455834736.db2.gz KVHXHUNSODZNFQ-DZKIICNBSA-N 2 1 338.879 3.307 20 0 EGADMP CCCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000253369992 455834744 /nfs/dbraw/zinc/83/47/44/455834744.db2.gz KVHXHUNSODZNFQ-DZKIICNBSA-N 2 1 338.879 3.307 20 0 EGADMP CCc1c(C)[nH+]c2ccccc2c1N1CCC([N@@H+](C)CCCO)CC1 ZINC000272186038 455870088 /nfs/dbraw/zinc/87/00/88/455870088.db2.gz JVUUUKVRLWTGNX-UHFFFAOYSA-N 2 1 341.499 3.389 20 0 EGADMP c1cn(CC[NH2+][C@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000285611726 455882070 /nfs/dbraw/zinc/88/20/70/455882070.db2.gz KHJKHKQEQDDCSA-HBMCJLEFSA-N 2 1 338.499 3.164 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)ccc1OC(F)F ZINC000261786600 455946994 /nfs/dbraw/zinc/94/69/94/455946994.db2.gz SNLUILRTYGLOND-ZDUSSCGKSA-N 2 1 328.403 3.248 20 0 EGADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)CC1(c2ccc(Br)cc2)CC1 ZINC000261827378 455954987 /nfs/dbraw/zinc/95/49/87/455954987.db2.gz ITTSSIQXRYBTSF-AWEZNQCLSA-N 2 1 337.305 3.412 20 0 EGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)[C@@H](C)C2 ZINC000272459035 455957843 /nfs/dbraw/zinc/95/78/43/455957843.db2.gz QOQATECXCBCHGU-PXNSSMCTSA-N 2 1 328.500 3.463 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261844310 455957947 /nfs/dbraw/zinc/95/79/47/455957947.db2.gz ZAGSAAHWNJOXIM-INIZCTEOSA-N 2 1 335.879 3.051 20 0 EGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)CC[C@@H]3CC[NH2+]C3)c2C1 ZINC000261853616 455959026 /nfs/dbraw/zinc/95/90/26/455959026.db2.gz OYIHRINDEBMJOH-MRXNPFEDSA-N 2 1 329.488 3.377 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2coc(C[NH3+])c2)cc1 ZINC000188060011 455988666 /nfs/dbraw/zinc/98/86/66/455988666.db2.gz RLNPIGWIGFRMQA-CQSZACIVSA-N 2 1 327.428 3.365 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)CCC2)c1 ZINC000262098204 455996647 /nfs/dbraw/zinc/99/66/47/455996647.db2.gz IDNZUPCOERFBKX-FQEVSTJZSA-N 2 1 344.499 3.068 20 0 EGADMP CO[C@@]1(C)CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000280571406 456002453 /nfs/dbraw/zinc/00/24/53/456002453.db2.gz LTXWKJPTCKEYPH-NRFANRHFSA-N 2 1 345.531 3.218 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000270650018 456005673 /nfs/dbraw/zinc/00/56/73/456005673.db2.gz LOVDGRANWKLGLB-UHFFFAOYSA-N 2 1 338.430 3.471 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000270650018 456005679 /nfs/dbraw/zinc/00/56/79/456005679.db2.gz LOVDGRANWKLGLB-UHFFFAOYSA-N 2 1 338.430 3.471 20 0 EGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(OC)c(OC)c(OC)c1 ZINC000270656092 456007185 /nfs/dbraw/zinc/00/71/85/456007185.db2.gz UWUUMRZFAPQHGG-UHFFFAOYSA-N 2 1 336.476 3.020 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(OC)c(OC)c(OC)c1 ZINC000270656092 456007186 /nfs/dbraw/zinc/00/71/86/456007186.db2.gz UWUUMRZFAPQHGG-UHFFFAOYSA-N 2 1 336.476 3.020 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(C)c1OC ZINC000286331364 456026779 /nfs/dbraw/zinc/02/67/79/456026779.db2.gz XXPLRBKCDXUECE-CABCVRRESA-N 2 1 345.487 3.374 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](c2cccnc2)C2CCC2)C[C@H](C)O1 ZINC000280800620 456054419 /nfs/dbraw/zinc/05/44/19/456054419.db2.gz IKASDNJIYGDXRZ-FUHIMQAGSA-N 2 1 331.504 3.402 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)CC2(C)C)cc1)C(C)C ZINC000270943393 456071996 /nfs/dbraw/zinc/07/19/96/456071996.db2.gz SVKKPBQMEDXTMP-UHFFFAOYSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)CC2(C)C)cc1)C(C)C ZINC000270943393 456072000 /nfs/dbraw/zinc/07/20/00/456072000.db2.gz SVKKPBQMEDXTMP-UHFFFAOYSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C)CC2(C)C)cc1)C(C)C ZINC000270943393 456072006 /nfs/dbraw/zinc/07/20/06/456072006.db2.gz SVKKPBQMEDXTMP-UHFFFAOYSA-N 2 1 331.504 3.083 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000297013950 456092284 /nfs/dbraw/zinc/09/22/84/456092284.db2.gz MRYRFHNGURWVBA-IHWFROFDSA-N 2 1 343.515 3.274 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000297013950 456092289 /nfs/dbraw/zinc/09/22/89/456092289.db2.gz MRYRFHNGURWVBA-IHWFROFDSA-N 2 1 343.515 3.274 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000297013950 456092293 /nfs/dbraw/zinc/09/22/93/456092293.db2.gz MRYRFHNGURWVBA-IHWFROFDSA-N 2 1 343.515 3.274 20 0 EGADMP COc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228471647 456123797 /nfs/dbraw/zinc/12/37/97/456123797.db2.gz BTHNFCYBDXLXQW-NILFDRSVSA-N 2 1 339.277 3.017 20 0 EGADMP COc1ccc(Br)cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228471647 456123802 /nfs/dbraw/zinc/12/38/02/456123802.db2.gz BTHNFCYBDXLXQW-NILFDRSVSA-N 2 1 339.277 3.017 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000301514013 456135800 /nfs/dbraw/zinc/13/58/00/456135800.db2.gz HMLBEVPWUPSKMS-HZMVEIRTSA-N 2 1 337.508 3.039 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000301514013 456135803 /nfs/dbraw/zinc/13/58/03/456135803.db2.gz HMLBEVPWUPSKMS-HZMVEIRTSA-N 2 1 337.508 3.039 20 0 EGADMP c1n[nH]cc1CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000289866385 456161142 /nfs/dbraw/zinc/16/11/42/456161142.db2.gz RGCTYYXZSQJPLB-PCCBWWKXSA-N 2 1 338.499 3.233 20 0 EGADMP CSc1cc2c(cc1C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1)OCCO2 ZINC000271191765 456162882 /nfs/dbraw/zinc/16/28/82/456162882.db2.gz MEIUPEHTQOCGQD-DZGCQCFKSA-N 2 1 336.501 3.094 20 0 EGADMP CSc1cc2c(cc1C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1)OCCO2 ZINC000271191765 456162886 /nfs/dbraw/zinc/16/28/86/456162886.db2.gz MEIUPEHTQOCGQD-DZGCQCFKSA-N 2 1 336.501 3.094 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000236655157 456164312 /nfs/dbraw/zinc/16/43/12/456164312.db2.gz IGRUWDITJPYPEF-ZWKOTPCHSA-N 2 1 345.531 3.169 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000236687083 456170007 /nfs/dbraw/zinc/17/00/07/456170007.db2.gz PPNUZZUELYOKIC-QGZVFWFLSA-N 2 1 345.531 3.442 20 0 EGADMP Cc1cn[nH]c1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000289948456 456192648 /nfs/dbraw/zinc/19/26/48/456192648.db2.gz QASKXEAAPALPAM-HZPDHXFCSA-N 2 1 326.488 3.486 20 0 EGADMP Cc1c[nH]nc1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000289948456 456192656 /nfs/dbraw/zinc/19/26/56/456192656.db2.gz QASKXEAAPALPAM-HZPDHXFCSA-N 2 1 326.488 3.486 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)CC1([NH3+])CCC1)C1CCCCC1 ZINC000237151262 456239388 /nfs/dbraw/zinc/23/93/88/456239388.db2.gz YMYDOZXJPUOXLP-UHFFFAOYSA-N 2 1 343.515 3.339 20 0 EGADMP COc1ncccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000290204597 456266508 /nfs/dbraw/zinc/26/65/08/456266508.db2.gz PJZIBBCKSXHDRD-XLIONFOSSA-N 2 1 339.483 3.275 20 0 EGADMP COc1ncccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000290204597 456266512 /nfs/dbraw/zinc/26/65/12/456266512.db2.gz PJZIBBCKSXHDRD-XLIONFOSSA-N 2 1 339.483 3.275 20 0 EGADMP COCc1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)no1 ZINC000297635605 456268574 /nfs/dbraw/zinc/26/85/74/456268574.db2.gz IDOLYQFUQUDXAH-UHFFFAOYSA-N 2 1 343.471 3.165 20 0 EGADMP COCc1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)no1 ZINC000297635605 456268577 /nfs/dbraw/zinc/26/85/77/456268577.db2.gz IDOLYQFUQUDXAH-UHFFFAOYSA-N 2 1 343.471 3.165 20 0 EGADMP CCOc1cc(CN(C)C[C@H]2CCC[N@@H+](C)C2)cc(Cl)c1O ZINC000297649505 456270318 /nfs/dbraw/zinc/27/03/18/456270318.db2.gz IWPJDLMAXLWYEW-ZDUSSCGKSA-N 2 1 326.868 3.218 20 0 EGADMP CCOc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc(Cl)c1O ZINC000297649505 456270321 /nfs/dbraw/zinc/27/03/21/456270321.db2.gz IWPJDLMAXLWYEW-ZDUSSCGKSA-N 2 1 326.868 3.218 20 0 EGADMP CCOc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc(Cl)c1O ZINC000297649505 456270323 /nfs/dbraw/zinc/27/03/23/456270323.db2.gz IWPJDLMAXLWYEW-ZDUSSCGKSA-N 2 1 326.868 3.218 20 0 EGADMP CCOc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc(Cl)c1O ZINC000297649505 456270325 /nfs/dbraw/zinc/27/03/25/456270325.db2.gz IWPJDLMAXLWYEW-ZDUSSCGKSA-N 2 1 326.868 3.218 20 0 EGADMP CCOc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc(Cl)c1O ZINC000297649505 456270326 /nfs/dbraw/zinc/27/03/26/456270326.db2.gz IWPJDLMAXLWYEW-ZDUSSCGKSA-N 2 1 326.868 3.218 20 0 EGADMP COc1cncc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000290299080 456284068 /nfs/dbraw/zinc/28/40/68/456284068.db2.gz NKKHNXUULPWMEY-UHFFFAOYSA-N 2 1 339.483 3.434 20 0 EGADMP CSc1cc2c(cc1C[N@@H+]1CCC[C@H]3C[NH+](C)CC[C@@H]31)OCCO2 ZINC000290313754 456288541 /nfs/dbraw/zinc/28/85/41/456288541.db2.gz CJAUXBNOPHWQLP-HOCLYGCPSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[N@H+]1CCC[C@H]3C[NH+](C)CC[C@@H]31)OCCO2 ZINC000290313754 456288547 /nfs/dbraw/zinc/28/85/47/456288547.db2.gz CJAUXBNOPHWQLP-HOCLYGCPSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[NH+]1CCC[C@H]3C[N@H+](C)CC[C@@H]31)OCCO2 ZINC000290313754 456288553 /nfs/dbraw/zinc/28/85/53/456288553.db2.gz CJAUXBNOPHWQLP-HOCLYGCPSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[NH+]1CCC[C@H]3C[N@@H+](C)CC[C@@H]31)OCCO2 ZINC000290313754 456288561 /nfs/dbraw/zinc/28/85/61/456288561.db2.gz CJAUXBNOPHWQLP-HOCLYGCPSA-N 2 1 348.512 3.096 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COc3ccccc3O2)C[C@@H]1c1ccccc1 ZINC000340176047 456292964 /nfs/dbraw/zinc/29/29/64/456292964.db2.gz ALRVORSXIVQAIE-IPMKNSEASA-N 2 1 338.451 3.252 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2COc3ccccc3O2)C[C@@H]1c1ccccc1 ZINC000340176047 456292969 /nfs/dbraw/zinc/29/29/69/456292969.db2.gz ALRVORSXIVQAIE-IPMKNSEASA-N 2 1 338.451 3.252 20 0 EGADMP CC(C)C(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340175013 456293209 /nfs/dbraw/zinc/29/32/09/456293209.db2.gz VCOCLOCBGVAKDA-PMACEKPBSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340175013 456293214 /nfs/dbraw/zinc/29/32/14/456293214.db2.gz VCOCLOCBGVAKDA-PMACEKPBSA-N 2 1 343.515 3.059 20 0 EGADMP CC[NH+](CC)Cc1cccc(CNCc2ncc(C[NH+](C)C)s2)c1 ZINC000352777424 456296432 /nfs/dbraw/zinc/29/64/32/456296432.db2.gz BJJMWPXDJBVHCV-UHFFFAOYSA-N 2 1 346.544 3.336 20 0 EGADMP FC(F)(F)c1cscc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000352809919 456328559 /nfs/dbraw/zinc/32/85/59/456328559.db2.gz KFKOBKCKXKQYDM-LBPRGKRZSA-N 2 1 348.434 3.357 20 0 EGADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352838209 456353454 /nfs/dbraw/zinc/35/34/54/456353454.db2.gz JIXWQGIQYMHIKN-LEWJYISDSA-N 2 1 330.516 3.382 20 0 EGADMP CC(C)CC[C@H](O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352838209 456353460 /nfs/dbraw/zinc/35/34/60/456353460.db2.gz JIXWQGIQYMHIKN-LEWJYISDSA-N 2 1 330.516 3.382 20 0 EGADMP CC(C)CC[C@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352838209 456353467 /nfs/dbraw/zinc/35/34/67/456353467.db2.gz JIXWQGIQYMHIKN-LEWJYISDSA-N 2 1 330.516 3.382 20 0 EGADMP c1[nH]c2nccnc2c1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000290581808 456372652 /nfs/dbraw/zinc/37/26/52/456372652.db2.gz ZOICIQLGWHELFG-INIZCTEOSA-N 2 1 327.476 3.046 20 0 EGADMP c1[nH]c2nccnc2c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000290581808 456372659 /nfs/dbraw/zinc/37/26/59/456372659.db2.gz ZOICIQLGWHELFG-INIZCTEOSA-N 2 1 327.476 3.046 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)C[C@@H]1c1ccccc1 ZINC000340312644 456380415 /nfs/dbraw/zinc/38/04/15/456380415.db2.gz KQIKHCVAWDBFCE-WOJBJXKFSA-N 2 1 336.483 3.322 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)C[C@@H]1c1ccccc1 ZINC000340312644 456380420 /nfs/dbraw/zinc/38/04/20/456380420.db2.gz KQIKHCVAWDBFCE-WOJBJXKFSA-N 2 1 336.483 3.322 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000290663573 456399669 /nfs/dbraw/zinc/39/96/69/456399669.db2.gz ZVHHVOLUHKTGDN-DYESRHJHSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000290663573 456399674 /nfs/dbraw/zinc/39/96/74/456399674.db2.gz ZVHHVOLUHKTGDN-DYESRHJHSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000290663573 456399678 /nfs/dbraw/zinc/39/96/78/456399678.db2.gz ZVHHVOLUHKTGDN-DYESRHJHSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000290663573 456399685 /nfs/dbraw/zinc/39/96/85/456399685.db2.gz ZVHHVOLUHKTGDN-DYESRHJHSA-N 2 1 339.483 3.433 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)[C@]12CCCO2 ZINC000340353506 456409693 /nfs/dbraw/zinc/40/96/93/456409693.db2.gz MLEVQJVTZXGIBY-YMQHIKHWSA-N 2 1 344.499 3.138 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)[C@]12CCCO2 ZINC000340353506 456409702 /nfs/dbraw/zinc/40/97/02/456409702.db2.gz MLEVQJVTZXGIBY-YMQHIKHWSA-N 2 1 344.499 3.138 20 0 EGADMP c1ccc(OCc2ccncc2)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000340415264 456446918 /nfs/dbraw/zinc/44/69/18/456446918.db2.gz JFXYEWRKJKIJAO-UXHICEINSA-N 2 1 337.467 3.377 20 0 EGADMP c1ccc(OCc2ccncc2)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000340415264 456446920 /nfs/dbraw/zinc/44/69/20/456446920.db2.gz JFXYEWRKJKIJAO-UXHICEINSA-N 2 1 337.467 3.377 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC(F)F ZINC000337653130 456459054 /nfs/dbraw/zinc/45/90/54/456459054.db2.gz LOAGMYSCWDMVTE-CABCVRRESA-N 2 1 340.414 3.403 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC(F)F ZINC000337653130 456459059 /nfs/dbraw/zinc/45/90/59/456459059.db2.gz LOAGMYSCWDMVTE-CABCVRRESA-N 2 1 340.414 3.403 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1(C)C ZINC000282333621 456480222 /nfs/dbraw/zinc/48/02/22/456480222.db2.gz OHANFHMHJWTSKT-FQEVSTJZSA-N 2 1 345.506 3.377 20 0 EGADMP CCCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000340490691 456489521 /nfs/dbraw/zinc/48/95/21/456489521.db2.gz OSYODIIBJOIFOG-ZWKOTPCHSA-N 2 1 345.531 3.455 20 0 EGADMP C[C@@H](C(=O)N(C)[C@H](c1ncc[nH]1)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000298613067 456500480 /nfs/dbraw/zinc/50/04/80/456500480.db2.gz OJFQIIMFZZLPFW-DFGXFYAUSA-N 2 1 340.471 3.219 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000298696018 456519697 /nfs/dbraw/zinc/51/96/97/456519697.db2.gz TYSUEJXWDBAHGD-OAHLLOKOSA-N 2 1 343.475 3.126 20 0 EGADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000305167183 456532306 /nfs/dbraw/zinc/53/23/06/456532306.db2.gz DFWKBIXZKFJFBA-QGZVFWFLSA-N 2 1 344.421 3.025 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000305167183 456532311 /nfs/dbraw/zinc/53/23/11/456532311.db2.gz DFWKBIXZKFJFBA-QGZVFWFLSA-N 2 1 344.421 3.025 20 0 EGADMP Cc1noc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000282556645 456550823 /nfs/dbraw/zinc/55/08/23/456550823.db2.gz TWQUCSJJGBARJI-GOSISDBHSA-N 2 1 342.487 3.201 20 0 EGADMP Cc1noc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000282556645 456550828 /nfs/dbraw/zinc/55/08/28/456550828.db2.gz TWQUCSJJGBARJI-GOSISDBHSA-N 2 1 342.487 3.201 20 0 EGADMP CCC[NH+]1CCN(C(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)CC1 ZINC000343395136 456590018 /nfs/dbraw/zinc/59/00/18/456590018.db2.gz GKIXZIPUEPFDEP-UHFFFAOYSA-N 2 1 331.504 3.085 20 0 EGADMP C[C@H]([NH2+][C@H]1CCc2ccccc2NC1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000299089797 456602944 /nfs/dbraw/zinc/60/29/44/456602944.db2.gz UKFUVXDLXIKVJP-KNBMTAEXSA-N 2 1 341.499 3.183 20 0 EGADMP C[C@H]([NH2+][C@H]1CCc2ccccc2NC1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000299089797 456602949 /nfs/dbraw/zinc/60/29/49/456602949.db2.gz UKFUVXDLXIKVJP-KNBMTAEXSA-N 2 1 341.499 3.183 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(N2CCCNC2=O)cc1 ZINC000291342411 456613010 /nfs/dbraw/zinc/61/30/10/456613010.db2.gz WYGXILLJMUVYLV-FUHWJXTLSA-N 2 1 344.503 3.131 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)CC1 ZINC000282850329 456644594 /nfs/dbraw/zinc/64/45/94/456644594.db2.gz BEZRUNLKPSCRAV-UNMCSNQZSA-N 2 1 343.559 3.356 20 0 EGADMP C[C@H](CCc1c(F)cccc1F)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000338000336 456647476 /nfs/dbraw/zinc/64/74/76/456647476.db2.gz QOLWLVPNGONYIJ-CVEARBPZSA-N 2 1 340.458 3.112 20 0 EGADMP CCN1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000343482408 456650319 /nfs/dbraw/zinc/65/03/19/456650319.db2.gz UUZKGNMXDTYGBC-WAOWUJCRSA-N 2 1 329.532 3.491 20 0 EGADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000343482408 456650327 /nfs/dbraw/zinc/65/03/27/456650327.db2.gz UUZKGNMXDTYGBC-WAOWUJCRSA-N 2 1 329.532 3.491 20 0 EGADMP CC[N@H+]1C[C@H](C)[C@H](NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000343482408 456650332 /nfs/dbraw/zinc/65/03/32/456650332.db2.gz UUZKGNMXDTYGBC-WAOWUJCRSA-N 2 1 329.532 3.491 20 0 EGADMP CC[NH+]1C[C@H](C)[C@H](NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000343482408 456650340 /nfs/dbraw/zinc/65/03/40/456650340.db2.gz UUZKGNMXDTYGBC-WAOWUJCRSA-N 2 1 329.532 3.491 20 0 EGADMP CC[NH+]1C[C@H](C)[C@H](NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000343482408 456650345 /nfs/dbraw/zinc/65/03/45/456650345.db2.gz UUZKGNMXDTYGBC-WAOWUJCRSA-N 2 1 329.532 3.491 20 0 EGADMP CCN1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000343482406 456651051 /nfs/dbraw/zinc/65/10/51/456651051.db2.gz UUZKGNMXDTYGBC-BBTUJRGHSA-N 2 1 329.532 3.491 20 0 EGADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000343482406 456651062 /nfs/dbraw/zinc/65/10/62/456651062.db2.gz UUZKGNMXDTYGBC-BBTUJRGHSA-N 2 1 329.532 3.491 20 0 EGADMP CC[N@H+]1C[C@H](C)[C@H](NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000343482406 456651070 /nfs/dbraw/zinc/65/10/70/456651070.db2.gz UUZKGNMXDTYGBC-BBTUJRGHSA-N 2 1 329.532 3.491 20 0 EGADMP CC[NH+]1C[C@H](C)[C@H](NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000343482406 456651074 /nfs/dbraw/zinc/65/10/74/456651074.db2.gz UUZKGNMXDTYGBC-BBTUJRGHSA-N 2 1 329.532 3.491 20 0 EGADMP CC[NH+]1C[C@H](C)[C@H](NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000343482406 456651079 /nfs/dbraw/zinc/65/10/79/456651079.db2.gz UUZKGNMXDTYGBC-BBTUJRGHSA-N 2 1 329.532 3.491 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000277031925 456660097 /nfs/dbraw/zinc/66/00/97/456660097.db2.gz BEYBBVAOGAYGMO-MRXNPFEDSA-N 2 1 348.878 3.349 20 0 EGADMP CCOc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc(Cl)c1O ZINC000299378434 456674590 /nfs/dbraw/zinc/67/45/90/456674590.db2.gz VXSBTJFANHPXIR-UHFFFAOYSA-N 2 1 326.868 3.407 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)C(C)(C)n1cncn1 ZINC000353407503 456680230 /nfs/dbraw/zinc/68/02/30/456680230.db2.gz BRJZCVXEPKKBBP-AEFFLSMTSA-N 2 1 333.524 3.036 20 0 EGADMP Cc1noc(C[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)c2ccccc2)n1 ZINC000277162847 456703800 /nfs/dbraw/zinc/70/38/00/456703800.db2.gz RGFUFHNVRLGXMS-GOSISDBHSA-N 2 1 328.460 3.124 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NCCNc2cccc(C)[nH+]2)cc1 ZINC000338229574 456719288 /nfs/dbraw/zinc/71/92/88/456719288.db2.gz UGFKVVGFZSUVLX-UHFFFAOYSA-N 2 1 340.471 3.074 20 0 EGADMP CN(CCC[N@@H+](C)CCc1ccc2c(c1)OCCO2)Cc1ccco1 ZINC000353543289 456746542 /nfs/dbraw/zinc/74/65/42/456746542.db2.gz MZPPNBQOMQSMCU-UHFFFAOYSA-N 2 1 344.455 3.047 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)c2cc1C ZINC000277260683 456749649 /nfs/dbraw/zinc/74/96/49/456749649.db2.gz QXZQFNHZCCVLCM-QGZVFWFLSA-N 2 1 328.456 3.326 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)c2cc1C ZINC000277260683 456749657 /nfs/dbraw/zinc/74/96/57/456749657.db2.gz QXZQFNHZCCVLCM-QGZVFWFLSA-N 2 1 328.456 3.326 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000283371393 456767749 /nfs/dbraw/zinc/76/77/49/456767749.db2.gz SIPXWUMIHQQZPN-LJQANCHMSA-N 2 1 333.495 3.031 20 0 EGADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CS1 ZINC000277306293 456770892 /nfs/dbraw/zinc/77/08/92/456770892.db2.gz SFUUWLDVKQWZQY-AABGKKOBSA-N 2 1 348.556 3.263 20 0 EGADMP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000338434430 456817127 /nfs/dbraw/zinc/81/71/27/456817127.db2.gz BMFRTFAFXQCDEW-QZTJIDSGSA-N 2 1 343.515 3.133 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000292076976 456848964 /nfs/dbraw/zinc/84/89/64/456848964.db2.gz LSNTXTGPKJCPIU-YLJYHZDGSA-N 2 1 343.515 3.209 20 0 EGADMP C[C@H]1CN(Cc2cccc(F)c2Cl)CC[N@H+]1C1CCN(C)CC1 ZINC000339061662 456921405 /nfs/dbraw/zinc/92/14/05/456921405.db2.gz NTIMLSDUAJRDKA-AWEZNQCLSA-N 2 1 339.886 3.079 20 0 EGADMP C[C@H](c1nc(-c2cccs2)no1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329761753 456937814 /nfs/dbraw/zinc/93/78/14/456937814.db2.gz RWCRCCSLWBYQJS-LLVKDONJSA-N 2 1 329.429 3.462 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)c1 ZINC000345156447 456946272 /nfs/dbraw/zinc/94/62/72/456946272.db2.gz KCNPIHMVXMCRAQ-CALCHBBNSA-N 2 1 331.504 3.016 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000345156447 456946273 /nfs/dbraw/zinc/94/62/73/456946273.db2.gz KCNPIHMVXMCRAQ-CALCHBBNSA-N 2 1 331.504 3.016 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000345156447 456946274 /nfs/dbraw/zinc/94/62/74/456946274.db2.gz KCNPIHMVXMCRAQ-CALCHBBNSA-N 2 1 331.504 3.016 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnn3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC000353882207 456948831 /nfs/dbraw/zinc/94/88/31/456948831.db2.gz QXURGVXGLOSBMJ-XLIONFOSSA-N 2 1 334.467 3.477 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnn3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000353882207 456948835 /nfs/dbraw/zinc/94/88/35/456948835.db2.gz QXURGVXGLOSBMJ-XLIONFOSSA-N 2 1 334.467 3.477 20 0 EGADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339166395 456973074 /nfs/dbraw/zinc/97/30/74/456973074.db2.gz OPUNVHFFHFIELS-GOEBONIOSA-N 2 1 338.293 3.465 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2nc(C)cs2)[C@@H](C)C1 ZINC000349661145 457009240 /nfs/dbraw/zinc/00/92/40/457009240.db2.gz FDCGELSQGJIZPD-VYDXJSESSA-N 2 1 339.549 3.282 20 0 EGADMP CCC[NH+]1CCC(N(C)C(=O)[C@H](CC)[N@@H+](C)Cc2ccccc2)CC1 ZINC000339261013 457025635 /nfs/dbraw/zinc/02/56/35/457025635.db2.gz QIWDRLGVERZVBP-FQEVSTJZSA-N 2 1 345.531 3.230 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000346286630 457029537 /nfs/dbraw/zinc/02/95/37/457029537.db2.gz RFEVYMNDUZIJBC-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000346286630 457029544 /nfs/dbraw/zinc/02/95/44/457029544.db2.gz RFEVYMNDUZIJBC-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000346286630 457029549 /nfs/dbraw/zinc/02/95/49/457029549.db2.gz RFEVYMNDUZIJBC-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CCOc1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)ccc1O ZINC000356527579 457037734 /nfs/dbraw/zinc/03/77/34/457037734.db2.gz MVBZJFXJMVUQDT-UHFFFAOYSA-N 2 1 340.467 3.329 20 0 EGADMP CCOc1cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)ccc1O ZINC000356527579 457037736 /nfs/dbraw/zinc/03/77/36/457037736.db2.gz MVBZJFXJMVUQDT-UHFFFAOYSA-N 2 1 340.467 3.329 20 0 EGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000354078495 457047288 /nfs/dbraw/zinc/04/72/88/457047288.db2.gz SROPZVUEKQDKKM-HNNXBMFYSA-N 2 1 330.501 3.302 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000354078495 457047292 /nfs/dbraw/zinc/04/72/92/457047292.db2.gz SROPZVUEKQDKKM-HNNXBMFYSA-N 2 1 330.501 3.302 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000354078495 457047296 /nfs/dbraw/zinc/04/72/96/457047296.db2.gz SROPZVUEKQDKKM-HNNXBMFYSA-N 2 1 330.501 3.302 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000354078495 457047301 /nfs/dbraw/zinc/04/73/01/457047301.db2.gz SROPZVUEKQDKKM-HNNXBMFYSA-N 2 1 330.501 3.302 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000354100646 457061956 /nfs/dbraw/zinc/06/19/56/457061956.db2.gz OMPSPIVITKIEQH-MRXNPFEDSA-N 2 1 328.859 3.412 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000354100646 457061959 /nfs/dbraw/zinc/06/19/59/457061959.db2.gz OMPSPIVITKIEQH-MRXNPFEDSA-N 2 1 328.859 3.412 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2ncc(C)s2)[C@H](C)C1 ZINC000349834205 457070426 /nfs/dbraw/zinc/07/04/26/457070426.db2.gz MSJBCKHMGRGJMK-UXLLHSPISA-N 2 1 339.549 3.282 20 0 EGADMP Cc1ccccc1-n1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)nn1 ZINC000342035576 457071087 /nfs/dbraw/zinc/07/10/87/457071087.db2.gz BLIAUJRQQYXBGB-SFHVURJKSA-N 2 1 341.503 3.320 20 0 EGADMP CC(C)[C@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000354148099 457094875 /nfs/dbraw/zinc/09/48/75/457094875.db2.gz HHQCSZMTXWWMOA-HXUWFJFHSA-N 2 1 345.531 3.135 20 0 EGADMP Cc1ncsc1C[N@H+](CCCc1ccc(C)nc1)C[C@H]1CC[NH2+]C1 ZINC000339405746 457095792 /nfs/dbraw/zinc/09/57/92/457095792.db2.gz CKXBHMJSCKJOBV-SFHVURJKSA-N 2 1 344.528 3.199 20 0 EGADMP Cc1ncsc1C[N@@H+](CCCc1ccc(C)nc1)C[C@H]1CC[NH2+]C1 ZINC000339405746 457095798 /nfs/dbraw/zinc/09/57/98/457095798.db2.gz CKXBHMJSCKJOBV-SFHVURJKSA-N 2 1 344.528 3.199 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@H]21 ZINC000342091352 457103351 /nfs/dbraw/zinc/10/33/51/457103351.db2.gz UKFYYBAVBJJVKQ-CWJKEVGVSA-N 2 1 349.478 3.426 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@H]21 ZINC000342091352 457103353 /nfs/dbraw/zinc/10/33/53/457103353.db2.gz UKFYYBAVBJJVKQ-CWJKEVGVSA-N 2 1 349.478 3.426 20 0 EGADMP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)nnn1-c1ccccc1 ZINC000359669103 457108351 /nfs/dbraw/zinc/10/83/51/457108351.db2.gz AFVBBLWYULEVSY-MRXNPFEDSA-N 2 1 349.482 3.488 20 0 EGADMP C[C@H]1C[C@H](NC2CC[NH+](C3CCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000346701183 457118907 /nfs/dbraw/zinc/11/89/07/457118907.db2.gz RGIATWGGPZPMLF-PXNSSMCTSA-N 2 1 327.516 3.256 20 0 EGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)C1 ZINC000339440575 457121306 /nfs/dbraw/zinc/12/13/06/457121306.db2.gz YSNMVWFEEHSROT-SFTDATJTSA-N 2 1 344.499 3.162 20 0 EGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)C1 ZINC000339440575 457121314 /nfs/dbraw/zinc/12/13/14/457121314.db2.gz YSNMVWFEEHSROT-SFTDATJTSA-N 2 1 344.499 3.162 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)C1 ZINC000339440575 457121319 /nfs/dbraw/zinc/12/13/19/457121319.db2.gz YSNMVWFEEHSROT-SFTDATJTSA-N 2 1 344.499 3.162 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)C1 ZINC000339440575 457121326 /nfs/dbraw/zinc/12/13/26/457121326.db2.gz YSNMVWFEEHSROT-SFTDATJTSA-N 2 1 344.499 3.162 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342124020 457122249 /nfs/dbraw/zinc/12/22/49/457122249.db2.gz CYKDECPMCDQMMU-RZLSGREXSA-N 2 1 335.879 3.035 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342124020 457122255 /nfs/dbraw/zinc/12/22/55/457122255.db2.gz CYKDECPMCDQMMU-RZLSGREXSA-N 2 1 335.879 3.035 20 0 EGADMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000359941603 457160059 /nfs/dbraw/zinc/16/00/59/457160059.db2.gz LCOIVUDDTWAIOK-MORSLUCNSA-N 2 1 327.472 3.194 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000359941603 457160061 /nfs/dbraw/zinc/16/00/61/457160061.db2.gz LCOIVUDDTWAIOK-MORSLUCNSA-N 2 1 327.472 3.194 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000359941603 457160063 /nfs/dbraw/zinc/16/00/63/457160063.db2.gz LCOIVUDDTWAIOK-MORSLUCNSA-N 2 1 327.472 3.194 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000359941603 457160068 /nfs/dbraw/zinc/16/00/68/457160068.db2.gz LCOIVUDDTWAIOK-MORSLUCNSA-N 2 1 327.472 3.194 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000354287316 457174830 /nfs/dbraw/zinc/17/48/30/457174830.db2.gz ZQYGHWYYFDYCQG-QUCCMNQESA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000354287316 457174836 /nfs/dbraw/zinc/17/48/36/457174836.db2.gz ZQYGHWYYFDYCQG-QUCCMNQESA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000354287316 457174842 /nfs/dbraw/zinc/17/48/42/457174842.db2.gz ZQYGHWYYFDYCQG-QUCCMNQESA-N 2 1 343.515 3.030 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000347039002 457197715 /nfs/dbraw/zinc/19/77/15/457197715.db2.gz ZLMCYOBMPFEYOV-ROUUACIJSA-N 2 1 345.531 3.276 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000347042761 457199981 /nfs/dbraw/zinc/19/99/81/457199981.db2.gz MBUOKMSSJUTCHC-WMZOPIPTSA-N 2 1 325.456 3.220 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000347042745 457200101 /nfs/dbraw/zinc/20/01/01/457200101.db2.gz MAJFXTAOJHSKAK-QGZVFWFLSA-N 2 1 325.456 3.092 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000347042745 457200109 /nfs/dbraw/zinc/20/01/09/457200109.db2.gz MAJFXTAOJHSKAK-QGZVFWFLSA-N 2 1 325.456 3.092 20 0 EGADMP c1coc([C@@H]2CC[NH+](CCOCC[N@H+]3CC[C@@H](c4ccco4)C3)C2)c1 ZINC000363314414 457289973 /nfs/dbraw/zinc/28/99/73/457289973.db2.gz XEQGCIKVNFAPOJ-QZTJIDSGSA-N 2 1 344.455 3.168 20 0 EGADMP CCc1ccc([C@H](CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)[NH+](C)C)cc1 ZINC000357044451 457295379 /nfs/dbraw/zinc/29/53/79/457295379.db2.gz LUIXCFUIFNBPEE-YZLZLFLDSA-N 2 1 345.531 3.229 20 0 EGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000351685105 457313202 /nfs/dbraw/zinc/31/32/02/457313202.db2.gz CFFZDJGJSWAIAF-UHFFFAOYSA-N 2 1 342.487 3.447 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(F)c2cccnc12 ZINC000355218653 457348939 /nfs/dbraw/zinc/34/89/39/457348939.db2.gz XZXYYFQEFKVYNV-ATZDWAIDSA-N 2 1 343.446 3.057 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(F)c2cccnc12 ZINC000355218653 457348945 /nfs/dbraw/zinc/34/89/45/457348945.db2.gz XZXYYFQEFKVYNV-ATZDWAIDSA-N 2 1 343.446 3.057 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CNC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000383644758 457425152 /nfs/dbraw/zinc/42/51/52/457425152.db2.gz CFYFQYFTCSYXIX-LJQANCHMSA-N 2 1 327.516 3.115 20 0 EGADMP c1cn(C2CCCC2)nc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000357312206 457438190 /nfs/dbraw/zinc/43/81/90/457438190.db2.gz VDZPVILCYJSRGD-UHFFFAOYSA-N 2 1 346.519 3.075 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1 ZINC000357314271 457440304 /nfs/dbraw/zinc/44/03/04/457440304.db2.gz YROSYUXVWHQHGO-JTDSTZFVSA-N 2 1 331.504 3.035 20 0 EGADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000360932500 457441876 /nfs/dbraw/zinc/44/18/76/457441876.db2.gz DPQFDTVFULBXNN-HNNXBMFYSA-N 2 1 343.475 3.416 20 0 EGADMP C[C@H](CCSc1ccccc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363754537 457443969 /nfs/dbraw/zinc/44/39/69/457443969.db2.gz VTZNBBHURMPMHP-RTBURBONSA-N 2 1 347.572 3.269 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCCC[NH+]1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000356165346 457500443 /nfs/dbraw/zinc/50/04/43/457500443.db2.gz HRYWAEHPWWOHEL-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)[NH+](C)Cc1ccccc1 ZINC000356165346 457500450 /nfs/dbraw/zinc/50/04/50/457500450.db2.gz HRYWAEHPWWOHEL-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)[NH+](C)Cc1ccccc1 ZINC000356165346 457500459 /nfs/dbraw/zinc/50/04/59/457500459.db2.gz HRYWAEHPWWOHEL-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP Cc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000399751872 457509675 /nfs/dbraw/zinc/50/96/75/457509675.db2.gz ARAJWDZGRGLAKZ-KSEOMHKRSA-N 2 1 335.495 3.433 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1csc(Br)c1 ZINC000404218607 457538715 /nfs/dbraw/zinc/53/87/15/457538715.db2.gz JASORYLPRMZCSL-UHFFFAOYSA-N 2 1 328.279 3.309 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1csc(Br)c1 ZINC000404218607 457538721 /nfs/dbraw/zinc/53/87/21/457538721.db2.gz JASORYLPRMZCSL-UHFFFAOYSA-N 2 1 328.279 3.309 20 0 EGADMP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c(Cl)c1OC ZINC000404410279 457543315 /nfs/dbraw/zinc/54/33/15/457543315.db2.gz BZDMEGWEYXWCPN-OCCSQVGLSA-N 2 1 326.868 3.307 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c(Cl)c1OC ZINC000404410279 457543320 /nfs/dbraw/zinc/54/33/20/457543320.db2.gz BZDMEGWEYXWCPN-OCCSQVGLSA-N 2 1 326.868 3.307 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1)C(C)C ZINC000361080438 457569878 /nfs/dbraw/zinc/56/98/78/457569878.db2.gz NYOIEWDXEGXXPG-VQTJNVASSA-N 2 1 343.515 3.035 20 0 EGADMP c1cn([C@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)nn1 ZINC000425516019 457583006 /nfs/dbraw/zinc/58/30/06/457583006.db2.gz RTLXIPJQPCIFHI-FQEVSTJZSA-N 2 1 339.487 3.101 20 0 EGADMP CCO[C@H](CC[NH2+]Cc1ncc(C[NH+](C)C)s1)C1CCCC1 ZINC000352757345 457586194 /nfs/dbraw/zinc/58/61/94/457586194.db2.gz UABBFOPDKYLHNG-MRXNPFEDSA-N 2 1 325.522 3.280 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]CCc2ccc(F)cc2Cl)CCCO1 ZINC000356393085 457602063 /nfs/dbraw/zinc/60/20/63/457602063.db2.gz KTUGQORZLCKGIR-CQSZACIVSA-N 2 1 328.859 3.112 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc2ccccc2c1 ZINC000361165909 457624245 /nfs/dbraw/zinc/62/42/45/457624245.db2.gz ZIRASDYHYFXMKE-UZLBHIALSA-N 2 1 339.483 3.078 20 0 EGADMP CC(C)[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000357662914 457646108 /nfs/dbraw/zinc/64/61/08/457646108.db2.gz IKLMXPGQPNJSTM-FQEVSTJZSA-N 2 1 343.515 3.019 20 0 EGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+]C2CCC3(CCCO3)CC2)c1 ZINC000364671661 457670439 /nfs/dbraw/zinc/67/04/39/457670439.db2.gz IFNAKADKLDFYSE-UHFFFAOYSA-N 2 1 344.499 3.100 20 0 EGADMP Fc1ccc(N2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c(F)c1 ZINC000370670447 457695953 /nfs/dbraw/zinc/69/59/53/457695953.db2.gz BRICGTJVKLDZKC-IRXDYDNUSA-N 2 1 335.442 3.150 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370712077 457704829 /nfs/dbraw/zinc/70/48/29/457704829.db2.gz ZHBYSFVPVYJDOZ-LPHOPBHVSA-N 2 1 343.540 3.359 20 0 EGADMP CC[C@]1(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC[NH2+]C1 ZINC000370847442 457728173 /nfs/dbraw/zinc/72/81/73/457728173.db2.gz RYIBRDZAXZUTIF-FQEVSTJZSA-N 2 1 340.471 3.383 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OC1CCCC1 ZINC000358005457 457738069 /nfs/dbraw/zinc/73/80/69/457738069.db2.gz NASJRHDBYKFBLH-MAUKXSAKSA-N 2 1 332.488 3.446 20 0 EGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000358056686 457758399 /nfs/dbraw/zinc/75/83/99/457758399.db2.gz DZAJHLUEVCLFOH-AWEZNQCLSA-N 2 1 329.488 3.440 20 0 EGADMP FC(F)n1c2ccccc2nc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358174483 457835925 /nfs/dbraw/zinc/83/59/25/457835925.db2.gz XBBWWLLQXBAUGB-KGLIPLIRSA-N 2 1 334.414 3.190 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCSc1ccccc1F ZINC000371294117 457853427 /nfs/dbraw/zinc/85/34/27/457853427.db2.gz JDBQHPSFYXTQPZ-HYVNUMGLSA-N 2 1 338.492 3.101 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCSc1ccccc1F ZINC000371294117 457853430 /nfs/dbraw/zinc/85/34/30/457853430.db2.gz JDBQHPSFYXTQPZ-HYVNUMGLSA-N 2 1 338.492 3.101 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371303398 457855875 /nfs/dbraw/zinc/85/58/75/457855875.db2.gz OJMUYDPMJWAJIP-AVRDEDQJSA-N 2 1 337.511 3.298 20 0 EGADMP OC1(CC[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000411413867 457880567 /nfs/dbraw/zinc/88/05/67/457880567.db2.gz KZUBDRNJXYUTHB-UHFFFAOYSA-N 2 1 328.500 3.280 20 0 EGADMP C[C@@H](CCNc1cc(N2CCCC2)ncn1)[N@@H+](C)Cc1ccccc1 ZINC000433771264 457881904 /nfs/dbraw/zinc/88/19/04/457881904.db2.gz OMQYTYVUQVGWGW-KRWDZBQOSA-N 2 1 339.487 3.399 20 0 EGADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000358248941 457886186 /nfs/dbraw/zinc/88/61/86/457886186.db2.gz HUZRHYIDZBGLJY-JKSUJKDBSA-N 2 1 329.271 3.101 20 0 EGADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000358248941 457886190 /nfs/dbraw/zinc/88/61/90/457886190.db2.gz HUZRHYIDZBGLJY-JKSUJKDBSA-N 2 1 329.271 3.101 20 0 EGADMP Cc1ccc2c(c1)CC[N@H+](C[C@H](O)Cn1cnc3cc(C)c(C)cc31)C2 ZINC000361844127 457902710 /nfs/dbraw/zinc/90/27/10/457902710.db2.gz SSTCXYGWCSWSBQ-FQEVSTJZSA-N 2 1 349.478 3.381 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C ZINC000411620230 457929443 /nfs/dbraw/zinc/92/94/43/457929443.db2.gz LXUXDAWSOXXIME-XLIONFOSSA-N 2 1 344.499 3.304 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000361890252 457934146 /nfs/dbraw/zinc/93/41/46/457934146.db2.gz DRRGARURXHWQBI-YWZLYKJASA-N 2 1 346.421 3.252 20 0 EGADMP c1nc2ccccc2n1-c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427124384 457947230 /nfs/dbraw/zinc/94/72/30/457947230.db2.gz QYYNEKXCUBQTSF-PKOBYXMFSA-N 2 1 332.451 3.209 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)C2=CC[NH+](C)CC2)cc1)C1CC1 ZINC000358385837 457969227 /nfs/dbraw/zinc/96/92/27/457969227.db2.gz PAOBPHDLVOKUCM-MRXNPFEDSA-N 2 1 341.499 3.051 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1)C1CC1 ZINC000358385837 457969236 /nfs/dbraw/zinc/96/92/36/457969236.db2.gz PAOBPHDLVOKUCM-MRXNPFEDSA-N 2 1 341.499 3.051 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1)C1CC1 ZINC000358385837 457969242 /nfs/dbraw/zinc/96/92/42/457969242.db2.gz PAOBPHDLVOKUCM-MRXNPFEDSA-N 2 1 341.499 3.051 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000358445241 458007695 /nfs/dbraw/zinc/00/76/95/458007695.db2.gz GVNUCFPKQFHYJO-LBPRGKRZSA-N 2 1 344.286 3.206 20 0 EGADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368566811 458045688 /nfs/dbraw/zinc/04/56/88/458045688.db2.gz JZZBQJSFORKDAE-SFNKJDCFSA-N 2 1 332.488 3.074 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+](CCCOc1ccccc1)C1CCOCC1 ZINC000362244869 458049338 /nfs/dbraw/zinc/04/93/38/458049338.db2.gz FZTNDGKSTKDUAP-IBGZPJMESA-N 2 1 346.515 3.421 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000362244869 458049348 /nfs/dbraw/zinc/04/93/48/458049348.db2.gz FZTNDGKSTKDUAP-IBGZPJMESA-N 2 1 346.515 3.421 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000362244869 458049353 /nfs/dbraw/zinc/04/93/53/458049353.db2.gz FZTNDGKSTKDUAP-IBGZPJMESA-N 2 1 346.515 3.421 20 0 EGADMP c1[nH+]cn2c1C[C@@H](c1nc(-c3ccc(C[NH+]4CCCC4)cc3)no1)CC2 ZINC000371908410 458118145 /nfs/dbraw/zinc/11/81/45/458118145.db2.gz CPRBKFSHYROOOD-KRWDZBQOSA-N 2 1 349.438 3.259 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OCc1ccccc1 ZINC000435369629 458120618 /nfs/dbraw/zinc/12/06/18/458120618.db2.gz FXPSZSDHTCBTQA-LPHOPBHVSA-N 2 1 340.467 3.443 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OCc1ccccc1 ZINC000435369629 458120625 /nfs/dbraw/zinc/12/06/25/458120625.db2.gz FXPSZSDHTCBTQA-LPHOPBHVSA-N 2 1 340.467 3.443 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000435369403 458121146 /nfs/dbraw/zinc/12/11/46/458121146.db2.gz FDWUIUZXSGARBZ-DJJJIMSYSA-N 2 1 346.906 3.371 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000435369403 458121151 /nfs/dbraw/zinc/12/11/51/458121151.db2.gz FDWUIUZXSGARBZ-DJJJIMSYSA-N 2 1 346.906 3.371 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000435373054 458125049 /nfs/dbraw/zinc/12/50/49/458125049.db2.gz LQIMJMPIDUSTSG-AEFFLSMTSA-N 2 1 340.515 3.398 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2-c2ccccc2)C1 ZINC000435376697 458126215 /nfs/dbraw/zinc/12/62/15/458126215.db2.gz TWJNXHSXCFMSJS-INIZCTEOSA-N 2 1 340.467 3.412 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000435391665 458135566 /nfs/dbraw/zinc/13/55/66/458135566.db2.gz SZZMVTAZZJUKOD-SFHVURJKSA-N 2 1 339.483 3.319 20 0 EGADMP C[C@@H]1CCCC[C@H]1C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435437926 458146913 /nfs/dbraw/zinc/14/69/13/458146913.db2.gz MDSQSTRVAQGNTA-FGTMMUONSA-N 2 1 330.520 3.191 20 0 EGADMP CC[N@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435614894 458171534 /nfs/dbraw/zinc/17/15/34/458171534.db2.gz NOVMXDZMQBPVJP-IBGZPJMESA-N 2 1 345.531 3.278 20 0 EGADMP CC[N@@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435614894 458171543 /nfs/dbraw/zinc/17/15/43/458171543.db2.gz NOVMXDZMQBPVJP-IBGZPJMESA-N 2 1 345.531 3.278 20 0 EGADMP C[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435627509 458177104 /nfs/dbraw/zinc/17/71/04/458177104.db2.gz RRXPIDJDFNDXLS-HNNXBMFYSA-N 2 1 334.851 3.006 20 0 EGADMP C[C@H](NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(OC(F)(F)F)c1 ZINC000372065981 458181592 /nfs/dbraw/zinc/18/15/92/458181592.db2.gz UVPXFTXQPBQDPU-NOLJZWGESA-N 2 1 344.377 3.099 20 0 EGADMP Cc1noc(C)c1C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435698792 458187223 /nfs/dbraw/zinc/18/72/23/458187223.db2.gz XWGSODDJEZEPHP-QGZVFWFLSA-N 2 1 331.485 3.497 20 0 EGADMP Cc1noc(C)c1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435698792 458187227 /nfs/dbraw/zinc/18/72/27/458187227.db2.gz XWGSODDJEZEPHP-QGZVFWFLSA-N 2 1 331.485 3.497 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@H]2CCN(C(C)C)C2=O)CC1)CC(C)C ZINC000358754043 458194552 /nfs/dbraw/zinc/19/45/52/458194552.db2.gz SRTSROYUALSKOY-IBGZPJMESA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(Br)c1 ZINC000358755214 458195607 /nfs/dbraw/zinc/19/56/07/458195607.db2.gz NTWDOPYKGVWNAE-HZPDHXFCSA-N 2 1 343.309 3.048 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000376203020 458233230 /nfs/dbraw/zinc/23/32/30/458233230.db2.gz ILOKWUQPUWNAAO-AVRDEDQJSA-N 2 1 337.511 3.298 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000362554209 458267159 /nfs/dbraw/zinc/26/71/59/458267159.db2.gz UNSJSJKSSDEOSP-MAUKXSAKSA-N 2 1 340.471 3.191 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000362554209 458267165 /nfs/dbraw/zinc/26/71/65/458267165.db2.gz UNSJSJKSSDEOSP-MAUKXSAKSA-N 2 1 340.471 3.191 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000447589401 458318030 /nfs/dbraw/zinc/31/80/30/458318030.db2.gz XUVNEESTTSIYJL-AOIWGVFYSA-N 2 1 326.488 3.371 20 0 EGADMP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000429502442 458338504 /nfs/dbraw/zinc/33/85/04/458338504.db2.gz JRKCKXNSLCGJFP-SCLBCKFNSA-N 2 1 345.874 3.279 20 0 EGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000429502441 458338588 /nfs/dbraw/zinc/33/85/88/458338588.db2.gz JRKCKXNSLCGJFP-FZKQIMNGSA-N 2 1 345.874 3.279 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459375032 458350294 /nfs/dbraw/zinc/35/02/94/458350294.db2.gz JIJLLXKFQYYFLQ-MOPGFXCFSA-N 2 1 345.531 3.266 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459375032 458350298 /nfs/dbraw/zinc/35/02/98/458350298.db2.gz JIJLLXKFQYYFLQ-MOPGFXCFSA-N 2 1 345.531 3.266 20 0 EGADMP C[C@H](c1ccccc1Cl)[N@@H+](CCC(=O)N1CCN(C)CC1)C1CC1 ZINC000429669650 458356366 /nfs/dbraw/zinc/35/63/66/458356366.db2.gz GXMNXHRPMGMYPD-OAHLLOKOSA-N 2 1 349.906 3.030 20 0 EGADMP C[C@H](c1ccccc1Cl)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000429669650 458356370 /nfs/dbraw/zinc/35/63/70/458356370.db2.gz GXMNXHRPMGMYPD-OAHLLOKOSA-N 2 1 349.906 3.030 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000459393978 458356991 /nfs/dbraw/zinc/35/69/91/458356991.db2.gz WTJDSYNXJFHEHZ-AWEZNQCLSA-N 2 1 332.517 3.403 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000459393978 458356997 /nfs/dbraw/zinc/35/69/97/458356997.db2.gz WTJDSYNXJFHEHZ-AWEZNQCLSA-N 2 1 332.517 3.403 20 0 EGADMP CC(C)(C)C1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000459420434 458364399 /nfs/dbraw/zinc/36/43/99/458364399.db2.gz BQBGTJXWIVZODZ-YNIZLOQISA-N 2 1 330.516 3.284 20 0 EGADMP CC(C)(C)C1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000459420434 458364403 /nfs/dbraw/zinc/36/44/03/458364403.db2.gz BQBGTJXWIVZODZ-YNIZLOQISA-N 2 1 330.516 3.284 20 0 EGADMP FC(F)n1c2ccccc2nc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459487164 458388791 /nfs/dbraw/zinc/38/87/91/458388791.db2.gz VQVUNEYZFRLANT-UHFFFAOYSA-N 2 1 334.414 3.190 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCCC3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000430229742 458425700 /nfs/dbraw/zinc/42/57/00/458425700.db2.gz YPMZLHAIZHPCEV-XMSQKQJNSA-N 2 1 341.543 3.023 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423477749 458438795 /nfs/dbraw/zinc/43/87/95/458438795.db2.gz KISFRUBFNXRSMD-CBPXPLCBSA-N 3 1 341.543 3.409 20 0 EGADMP Clc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CC2)cc1Cl ZINC000423492310 458442048 /nfs/dbraw/zinc/44/20/48/458442048.db2.gz MNBMIJRHTKWPJM-XJKSGUPXSA-N 2 1 329.271 3.413 20 0 EGADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423497940 458443672 /nfs/dbraw/zinc/44/36/72/458443672.db2.gz ANVDHQZRQNDDBC-QHAWAJNXSA-N 2 1 342.458 3.119 20 0 EGADMP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+])c1cccc2ccccc21 ZINC000430539036 458457929 /nfs/dbraw/zinc/45/79/29/458457929.db2.gz DFZGAGSUHCXRAM-HZPDHXFCSA-N 2 1 341.499 3.322 20 0 EGADMP C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+])c1cccc2ccccc21 ZINC000430539036 458457930 /nfs/dbraw/zinc/45/79/30/458457930.db2.gz DFZGAGSUHCXRAM-HZPDHXFCSA-N 2 1 341.499 3.322 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000373311328 458458373 /nfs/dbraw/zinc/45/83/73/458458373.db2.gz POXFOPFBKKPNOC-MRXNPFEDSA-N 2 1 336.549 3.356 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[NH+]3CCC([NH2+]CC4CC4)CC3)cc2)n1 ZINC000430555303 458461449 /nfs/dbraw/zinc/46/14/49/458461449.db2.gz OWAKSRNMIXAUCG-UHFFFAOYSA-N 2 1 338.499 3.453 20 0 EGADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1C[NH3+] ZINC000430570581 458463153 /nfs/dbraw/zinc/46/31/53/458463153.db2.gz ZBOCQJFYYRLYQF-WFASDCNBSA-N 2 1 343.393 3.093 20 0 EGADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1C[NH3+] ZINC000430570581 458463156 /nfs/dbraw/zinc/46/31/56/458463156.db2.gz ZBOCQJFYYRLYQF-WFASDCNBSA-N 2 1 343.393 3.093 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000430570409 458464002 /nfs/dbraw/zinc/46/40/02/458464002.db2.gz GSRUYWTVIXOBFU-VQIMIIECSA-N 2 1 337.467 3.498 20 0 EGADMP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000423737395 458477333 /nfs/dbraw/zinc/47/73/33/458477333.db2.gz AOJZCEHUTNYSIQ-QFBILLFUSA-N 2 1 331.504 3.045 20 0 EGADMP CCO[C@@H]1CC[N@@H+](CC[C@H](C)[NH+]2CC[C@H](OCC)[C@@H](C)C2)C[C@@H]1C ZINC000451541797 458480908 /nfs/dbraw/zinc/48/09/08/458480908.db2.gz MHPONCBTJJUDHM-FSGKZVOOSA-N 2 1 340.552 3.259 20 0 EGADMP CCO[C@@H]1CC[NH+](CC[C@H](C)[N@@H+]2CC[C@H](OCC)[C@@H](C)C2)C[C@@H]1C ZINC000451541797 458480910 /nfs/dbraw/zinc/48/09/10/458480910.db2.gz MHPONCBTJJUDHM-FSGKZVOOSA-N 2 1 340.552 3.259 20 0 EGADMP CCO[C@@H]1CC[NH+](CC[C@H](C)[N@H+]2CC[C@H](OCC)[C@@H](C)C2)C[C@@H]1C ZINC000451541797 458480912 /nfs/dbraw/zinc/48/09/12/458480912.db2.gz MHPONCBTJJUDHM-FSGKZVOOSA-N 2 1 340.552 3.259 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000430927635 458506857 /nfs/dbraw/zinc/50/68/57/458506857.db2.gz ROCRORJGUFCAMI-AWEZNQCLSA-N 2 1 330.394 3.406 20 0 EGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000460380176 458515153 /nfs/dbraw/zinc/51/51/53/458515153.db2.gz LWFZIEVIVGNNJQ-BTHPGYMESA-N 2 1 343.515 3.059 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373517976 458517211 /nfs/dbraw/zinc/51/72/11/458517211.db2.gz FKCXTDCYWDASPV-KTQJEEDSSA-N 2 1 347.469 3.110 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373517976 458517215 /nfs/dbraw/zinc/51/72/15/458517215.db2.gz FKCXTDCYWDASPV-KTQJEEDSSA-N 2 1 347.469 3.110 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373517976 458517221 /nfs/dbraw/zinc/51/72/21/458517221.db2.gz FKCXTDCYWDASPV-KTQJEEDSSA-N 2 1 347.469 3.110 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000438094488 458530406 /nfs/dbraw/zinc/53/04/06/458530406.db2.gz FENFLNJILPJWIP-MRXNPFEDSA-N 2 1 328.859 3.412 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CC[C@H]4CCOC4)CC[C@H]32)cc1 ZINC000438120846 458537557 /nfs/dbraw/zinc/53/75/57/458537557.db2.gz XJMDLCRETNZEFD-PWRODBHTSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CC[C@H]4CCOC4)CC[C@H]32)cc1 ZINC000438120846 458537560 /nfs/dbraw/zinc/53/75/60/458537560.db2.gz XJMDLCRETNZEFD-PWRODBHTSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CC[C@H]4CCOC4)CC[C@H]32)cc1 ZINC000438120846 458537561 /nfs/dbraw/zinc/53/75/61/458537561.db2.gz XJMDLCRETNZEFD-PWRODBHTSA-N 2 1 328.500 3.400 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1)C1CC1 ZINC000424066850 458549513 /nfs/dbraw/zinc/54/95/13/458549513.db2.gz GHVGUIAQWXECTN-MDZRGWNJSA-N 2 1 343.515 3.116 20 0 EGADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000493737889 458550788 /nfs/dbraw/zinc/55/07/88/458550788.db2.gz SPVDAGSHVBOQLH-WKRCXCSHSA-N 2 1 341.543 3.215 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000493737889 458550791 /nfs/dbraw/zinc/55/07/91/458550791.db2.gz SPVDAGSHVBOQLH-WKRCXCSHSA-N 2 1 341.543 3.215 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000438544442 458595260 /nfs/dbraw/zinc/59/52/60/458595260.db2.gz IMYVKKJDGDKSHJ-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438544442 458595268 /nfs/dbraw/zinc/59/52/68/458595268.db2.gz IMYVKKJDGDKSHJ-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438544442 458595276 /nfs/dbraw/zinc/59/52/76/458595276.db2.gz IMYVKKJDGDKSHJ-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP COC(=O)CC1CC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000424269171 458599595 /nfs/dbraw/zinc/59/95/95/458599595.db2.gz OULIKPCPQZGJFG-ZRZPHAQCSA-N 2 1 344.499 3.350 20 0 EGADMP CC(C)c1cccc(NC(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424298900 458608185 /nfs/dbraw/zinc/60/81/85/458608185.db2.gz UOKHQHSENLRNJQ-MRXNPFEDSA-N 2 1 329.488 3.213 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(OC(F)F)c(F)c1)CC[NH2+]CC2 ZINC000424369850 458626869 /nfs/dbraw/zinc/62/68/69/458626869.db2.gz BQVGCGOTCUPEMI-GFCCVEGCSA-N 2 1 328.378 3.391 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424376227 458629412 /nfs/dbraw/zinc/62/94/12/458629412.db2.gz KPPUCPMXQJHNLF-MRXNPFEDSA-N 2 1 338.499 3.453 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000424443918 458645099 /nfs/dbraw/zinc/64/50/99/458645099.db2.gz LUSIDBCLCLZJCD-INIZCTEOSA-N 2 1 332.492 3.230 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000439083397 458650669 /nfs/dbraw/zinc/65/06/69/458650669.db2.gz CLQOKKFSALWLRF-JKSUJKDBSA-N 2 1 347.503 3.426 20 0 EGADMP CN(CCOc1ccc(Br)cc1)CC[C@@H]1CCC[N@H+]1C ZINC000502679788 458664397 /nfs/dbraw/zinc/66/43/97/458664397.db2.gz ALLHQOGKBUJIRP-HNNXBMFYSA-N 2 1 341.293 3.244 20 0 EGADMP C[N@H+](CCOc1ccc(Br)cc1)CC[C@@H]1CCC[NH+]1C ZINC000502679788 458664402 /nfs/dbraw/zinc/66/44/02/458664402.db2.gz ALLHQOGKBUJIRP-HNNXBMFYSA-N 2 1 341.293 3.244 20 0 EGADMP C[N@@H+](CCOc1ccc(Br)cc1)CC[C@@H]1CCC[NH+]1C ZINC000502679788 458664409 /nfs/dbraw/zinc/66/44/09/458664409.db2.gz ALLHQOGKBUJIRP-HNNXBMFYSA-N 2 1 341.293 3.244 20 0 EGADMP C[NH+](CCOc1ccc(Br)cc1)CC[C@@H]1CCC[N@@H+]1C ZINC000502679788 458664414 /nfs/dbraw/zinc/66/44/14/458664414.db2.gz ALLHQOGKBUJIRP-HNNXBMFYSA-N 2 1 341.293 3.244 20 0 EGADMP C[NH+](CCOc1ccc(Br)cc1)CC[C@@H]1CCC[N@H+]1C ZINC000502679788 458664419 /nfs/dbraw/zinc/66/44/19/458664419.db2.gz ALLHQOGKBUJIRP-HNNXBMFYSA-N 2 1 341.293 3.244 20 0 EGADMP CC[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000546810625 458678281 /nfs/dbraw/zinc/67/82/81/458678281.db2.gz SXJPDIPWQSRTSB-NHCUHLMSSA-N 2 1 329.532 3.457 20 0 EGADMP CC[C@@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000546810625 458678286 /nfs/dbraw/zinc/67/82/86/458678286.db2.gz SXJPDIPWQSRTSB-NHCUHLMSSA-N 2 1 329.532 3.457 20 0 EGADMP CC[C@@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000546810625 458678291 /nfs/dbraw/zinc/67/82/91/458678291.db2.gz SXJPDIPWQSRTSB-NHCUHLMSSA-N 2 1 329.532 3.457 20 0 EGADMP Oc1cccc2c1C[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000463248081 458685295 /nfs/dbraw/zinc/68/52/95/458685295.db2.gz QWNARSRRGKAKHW-HXUWFJFHSA-N 2 1 336.479 3.156 20 0 EGADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC(C)(C)C ZINC000463361065 458692301 /nfs/dbraw/zinc/69/23/01/458692301.db2.gz YTYJCMWKNGYVMS-UHFFFAOYSA-N 2 1 345.531 3.267 20 0 EGADMP CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)CC1 ZINC000456528499 458704643 /nfs/dbraw/zinc/70/46/43/458704643.db2.gz KRENSWDYCHJGFE-SFHVURJKSA-N 2 1 345.531 3.473 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1csc(Cl)c1Cl ZINC000432250918 458705933 /nfs/dbraw/zinc/70/59/33/458705933.db2.gz OLEZNZUCQHIIPE-LBPRGKRZSA-N 2 1 337.316 3.381 20 0 EGADMP CC[N@H+](CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C(C)C ZINC000494640262 458717126 /nfs/dbraw/zinc/71/71/26/458717126.db2.gz JHYBIQBNRVDHNZ-ALOPSCKCSA-N 2 1 339.524 3.237 20 0 EGADMP CC[N@@H+](CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C(C)C ZINC000494640262 458717132 /nfs/dbraw/zinc/71/71/32/458717132.db2.gz JHYBIQBNRVDHNZ-ALOPSCKCSA-N 2 1 339.524 3.237 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000547318796 458718318 /nfs/dbraw/zinc/71/83/18/458718318.db2.gz OVZBYJLFGXQRME-LSDHHAIUSA-N 2 1 329.488 3.354 20 0 EGADMP Cc1cc2[nH]c(C[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)cc2c(C)c1 ZINC000432352146 458721757 /nfs/dbraw/zinc/72/17/57/458721757.db2.gz WAGPLCFIPRDFTC-KRWDZBQOSA-N 2 1 329.488 3.375 20 0 EGADMP COCCC1(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CCCCC1 ZINC000432359478 458723707 /nfs/dbraw/zinc/72/37/07/458723707.db2.gz QOMVAVLIYVFHCJ-GOSISDBHSA-N 2 1 326.525 3.064 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CCCO1 ZINC000432424612 458737846 /nfs/dbraw/zinc/73/78/46/458737846.db2.gz PPIZAQMCXMYOER-GIVPXCGWSA-N 2 1 330.516 3.488 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CCCO1 ZINC000432424612 458737851 /nfs/dbraw/zinc/73/78/51/458737851.db2.gz PPIZAQMCXMYOER-GIVPXCGWSA-N 2 1 330.516 3.488 20 0 EGADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000494821326 458750852 /nfs/dbraw/zinc/75/08/52/458750852.db2.gz FRAGJWUSPOYLAV-FQEVSTJZSA-N 2 1 341.499 3.280 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000473319744 458825612 /nfs/dbraw/zinc/82/56/12/458825612.db2.gz JFABBKNYPGRSGN-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CCOC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000474477754 458888275 /nfs/dbraw/zinc/88/82/75/458888275.db2.gz NNTDXYNGFCTYFW-CTNGQTDRSA-N 2 1 330.516 3.488 20 0 EGADMP C[C@@H](O)C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441237055 458904557 /nfs/dbraw/zinc/90/45/57/458904557.db2.gz VXXQKUDTPZUQEL-FCEWJHQRSA-N 2 1 338.923 3.438 20 0 EGADMP C[C@@H](O)C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441237055 458904559 /nfs/dbraw/zinc/90/45/59/458904559.db2.gz VXXQKUDTPZUQEL-FCEWJHQRSA-N 2 1 338.923 3.438 20 0 EGADMP CC(C)COC[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000576863217 458936877 /nfs/dbraw/zinc/93/68/77/458936877.db2.gz IERHKDZDQBZKHV-RXVVDRJESA-N 2 1 348.531 3.042 20 0 EGADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000475339880 458937196 /nfs/dbraw/zinc/93/71/96/458937196.db2.gz WHYHBVSXGXXVTI-AYWYSENESA-N 2 1 329.532 3.217 20 0 EGADMP Cc1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000531612377 458945263 /nfs/dbraw/zinc/94/52/63/458945263.db2.gz CMVPEDCDUPIBFA-LJQANCHMSA-N 2 1 330.497 3.092 20 0 EGADMP Cc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000531612377 458945267 /nfs/dbraw/zinc/94/52/67/458945267.db2.gz CMVPEDCDUPIBFA-LJQANCHMSA-N 2 1 330.497 3.092 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH2+]CCN2CC=CCC2)cc1 ZINC000475500449 458947141 /nfs/dbraw/zinc/94/71/41/458947141.db2.gz BQRHIPOZCLKPRO-BHIFYINESA-N 2 1 339.527 3.139 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000531683401 458959779 /nfs/dbraw/zinc/95/97/79/458959779.db2.gz JKCYNFAFJNZALF-OXJNMPFZSA-N 2 1 328.456 3.426 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000442762045 459032940 /nfs/dbraw/zinc/03/29/40/459032940.db2.gz DSPXYIBSAPKKAF-GPMSIDNRSA-N 2 1 348.450 3.495 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000442762045 459032943 /nfs/dbraw/zinc/03/29/43/459032943.db2.gz DSPXYIBSAPKKAF-GPMSIDNRSA-N 2 1 348.450 3.495 20 0 EGADMP C[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442776774 459033900 /nfs/dbraw/zinc/03/39/00/459033900.db2.gz IABVSGDGTFUOGJ-XYPWUTKMSA-N 2 1 346.862 3.147 20 0 EGADMP C[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442776774 459033904 /nfs/dbraw/zinc/03/39/04/459033904.db2.gz IABVSGDGTFUOGJ-XYPWUTKMSA-N 2 1 346.862 3.147 20 0 EGADMP Cc1ccc2cc([C@H](C)[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)oc2c1 ZINC000442870278 459049090 /nfs/dbraw/zinc/04/90/90/459049090.db2.gz GBXJEJCEWVWSSJ-INIZCTEOSA-N 2 1 329.488 3.418 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442918946 459059311 /nfs/dbraw/zinc/05/93/11/459059311.db2.gz IKJBYEXECXVPNG-MRXNPFEDSA-N 2 1 330.451 3.189 20 0 EGADMP CCS[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000594496157 459061840 /nfs/dbraw/zinc/06/18/40/459061840.db2.gz INVRUSOXXPFFEH-RCCFBDPRSA-N 2 1 326.550 3.284 20 0 EGADMP CSCc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000594501396 459064646 /nfs/dbraw/zinc/06/46/46/459064646.db2.gz USMGKFWACUHPGL-LJQANCHMSA-N 2 1 334.529 3.283 20 0 EGADMP CCc1ccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000557450331 459072895 /nfs/dbraw/zinc/07/28/95/459072895.db2.gz LLOCXBANGDDEJT-UHFFFAOYSA-N 2 1 343.515 3.384 20 0 EGADMP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443058148 459079859 /nfs/dbraw/zinc/07/98/59/459079859.db2.gz JLTGIHARASODCY-PKOBYXMFSA-N 2 1 345.531 3.123 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000443062686 459081485 /nfs/dbraw/zinc/08/14/85/459081485.db2.gz UZNUJZWBOHGBPJ-CYBMUJFWSA-N 2 1 332.366 3.025 20 0 EGADMP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060896 459081513 /nfs/dbraw/zinc/08/15/13/459081513.db2.gz QAVGXAASXAGAMJ-VXGBXAGGSA-N 2 1 344.286 3.381 20 0 EGADMP Cc1c([C@H](C)[NH2+]CCCc2c[nH+]cn2C)cnn1-c1ccc(F)cc1 ZINC000567483249 459114706 /nfs/dbraw/zinc/11/47/06/459114706.db2.gz RADSCBWQHBGAIC-AWEZNQCLSA-N 2 1 341.434 3.337 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC[N@@H+]1C ZINC000496242275 459121683 /nfs/dbraw/zinc/12/16/83/459121683.db2.gz FKFMWCKRLVQSKY-SQNIBIBYSA-N 2 1 345.487 3.112 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC[N@H+]1C ZINC000496242275 459121686 /nfs/dbraw/zinc/12/16/86/459121686.db2.gz FKFMWCKRLVQSKY-SQNIBIBYSA-N 2 1 345.487 3.112 20 0 EGADMP Cc1ccccc1OC[C@@H](O)C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000567581530 459128153 /nfs/dbraw/zinc/12/81/53/459128153.db2.gz GBZGTGWVJUMLFC-NSHGMRRFSA-N 2 1 348.531 3.082 20 0 EGADMP COc1ccc(OC2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000533240155 459206329 /nfs/dbraw/zinc/20/63/29/459206329.db2.gz QJIWMILPDDDBIC-QGZVFWFLSA-N 2 1 332.488 3.413 20 0 EGADMP COc1ccc(OC2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000533240155 459206336 /nfs/dbraw/zinc/20/63/36/459206336.db2.gz QJIWMILPDDDBIC-QGZVFWFLSA-N 2 1 332.488 3.413 20 0 EGADMP C[C@H](CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000480618982 459210119 /nfs/dbraw/zinc/21/01/19/459210119.db2.gz YRHBVHQWGLPGAJ-GUDVDZBRSA-N 2 1 347.547 3.398 20 0 EGADMP C[C@H](CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000480618982 459210125 /nfs/dbraw/zinc/21/01/25/459210125.db2.gz YRHBVHQWGLPGAJ-GUDVDZBRSA-N 2 1 347.547 3.398 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2csc(-c3cnn(C)c3)n2)CC1 ZINC000590786458 459218651 /nfs/dbraw/zinc/21/86/51/459218651.db2.gz YFKWLTDYDWAHFB-UHFFFAOYSA-N 2 1 347.532 3.096 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2csc(-c3cnn(C)c3)n2)CC1 ZINC000590786458 459218654 /nfs/dbraw/zinc/21/86/54/459218654.db2.gz YFKWLTDYDWAHFB-UHFFFAOYSA-N 2 1 347.532 3.096 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000590818969 459231674 /nfs/dbraw/zinc/23/16/74/459231674.db2.gz NKVFSRMTHYVONT-QGZVFWFLSA-N 2 1 337.552 3.218 20 0 EGADMP CC[C@@H]1C[NH+](CCCCC[N@H+]2C[C@H](C)O[C@@H](CC)C2)C[C@@H](C)O1 ZINC000533440992 459235325 /nfs/dbraw/zinc/23/53/25/459235325.db2.gz VMLCWDLTBKMFKJ-QGFMHUBQSA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@@H]1C[N@H+](CCCCC[NH+]2C[C@H](C)O[C@@H](CC)C2)C[C@@H](C)O1 ZINC000533440992 459235327 /nfs/dbraw/zinc/23/53/27/459235327.db2.gz VMLCWDLTBKMFKJ-QGFMHUBQSA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@H](C)O[C@@H](CC)C2)C[C@@H](C)O1 ZINC000533440992 459235331 /nfs/dbraw/zinc/23/53/31/459235331.db2.gz VMLCWDLTBKMFKJ-QGFMHUBQSA-N 2 1 326.525 3.155 20 0 EGADMP Cc1ncc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1C ZINC000568269774 459261182 /nfs/dbraw/zinc/26/11/82/459261182.db2.gz XHTKQISHTXRMHT-LPHOPBHVSA-N 2 1 326.488 3.119 20 0 EGADMP CC(C)c1nnc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)[nH]1 ZINC000559790523 459278076 /nfs/dbraw/zinc/27/80/76/459278076.db2.gz YBTBYSPCACTGGY-XIRDDKMYSA-N 2 1 327.476 3.414 20 0 EGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(C(F)F)c2)CC1 ZINC000591012258 459292946 /nfs/dbraw/zinc/29/29/46/459292946.db2.gz WEHBNMDRFLKINY-UHFFFAOYSA-N 2 1 346.381 3.023 20 0 EGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000482359795 459305157 /nfs/dbraw/zinc/30/51/57/459305157.db2.gz QPNZBTVGBRAHFJ-SFHVURJKSA-N 2 1 343.559 3.490 20 0 EGADMP COCC[NH+]1CCC([NH2+]CCCCc2ccc(Cl)s2)CC1 ZINC000560232789 459313812 /nfs/dbraw/zinc/31/38/12/459313812.db2.gz GAEACYPKNDKGRE-UHFFFAOYSA-N 2 1 330.925 3.425 20 0 EGADMP CCC1CC([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1 ZINC000560243308 459314595 /nfs/dbraw/zinc/31/45/95/459314595.db2.gz GPGIKXAUUMBXRJ-UHFFFAOYSA-N 2 1 346.515 3.454 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2cccc(C)c2)[C@@H](C)C1 ZINC000483712601 459385429 /nfs/dbraw/zinc/38/54/29/459385429.db2.gz MJYIZJXZKBZPET-ZVDOUQERSA-N 2 1 348.531 3.489 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cncc(Br)c2)CC1 ZINC000582796885 459430488 /nfs/dbraw/zinc/43/04/88/459430488.db2.gz JVELALSHHZLVQT-GFCCVEGCSA-N 2 1 326.282 3.369 20 0 EGADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000497174651 459472965 /nfs/dbraw/zinc/47/29/65/459472965.db2.gz AHOFCHGWZIVUHW-CVEARBPZSA-N 2 1 339.524 3.286 20 0 EGADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000497174651 459472972 /nfs/dbraw/zinc/47/29/72/459472972.db2.gz AHOFCHGWZIVUHW-CVEARBPZSA-N 2 1 339.524 3.286 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCc3cccnc3)C2)s1 ZINC000583266633 459511024 /nfs/dbraw/zinc/51/10/24/459511024.db2.gz QOFUMDJRKWFSLI-GOSISDBHSA-N 2 1 329.513 3.448 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCc3cccnc3)C2)s1 ZINC000583266633 459511028 /nfs/dbraw/zinc/51/10/28/459511028.db2.gz QOFUMDJRKWFSLI-GOSISDBHSA-N 2 1 329.513 3.448 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1)Nc1ccccc1 ZINC000569795431 459511360 /nfs/dbraw/zinc/51/13/60/459511360.db2.gz TYUDRGIFVTYIDW-PKOBYXMFSA-N 2 1 344.503 3.052 20 0 EGADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000569803322 459512326 /nfs/dbraw/zinc/51/23/26/459512326.db2.gz NCYBWFCWNQBQIG-UXHICEINSA-N 2 1 348.531 3.287 20 0 EGADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(C)c1 ZINC000583929797 459620467 /nfs/dbraw/zinc/62/04/67/459620467.db2.gz DDIAKRCNQMHNKO-WOJBJXKFSA-N 2 1 348.531 3.001 20 0 EGADMP COC(=O)CC[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000592515934 459621186 /nfs/dbraw/zinc/62/11/86/459621186.db2.gz OMHLCXVIABBUIT-GUDVDZBRSA-N 2 1 336.520 3.495 20 0 EGADMP COC(=O)CC[C@H](CC1CCCCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000592515932 459621293 /nfs/dbraw/zinc/62/12/93/459621293.db2.gz OMHLCXVIABBUIT-CEXWTWQISA-N 2 1 336.520 3.495 20 0 EGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000573116101 459628412 /nfs/dbraw/zinc/62/84/12/459628412.db2.gz LLGYIMKXAZAIGU-QYZOEREBSA-N 2 1 336.907 3.413 20 0 EGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000573116101 459628415 /nfs/dbraw/zinc/62/84/15/459628415.db2.gz LLGYIMKXAZAIGU-QYZOEREBSA-N 2 1 336.907 3.413 20 0 EGADMP Fc1c(Br)ccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)c1F ZINC000527637849 459680597 /nfs/dbraw/zinc/68/05/97/459680597.db2.gz PJCYOXPBEVMYKC-JTQLQIEISA-N 2 1 345.231 3.301 20 0 EGADMP CC(C)[NH2+]CCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000584225912 459685339 /nfs/dbraw/zinc/68/53/39/459685339.db2.gz JRMIQHYFQRPCDP-NJDAHSKKSA-N 2 1 329.532 3.265 20 0 EGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000584225912 459685344 /nfs/dbraw/zinc/68/53/44/459685344.db2.gz JRMIQHYFQRPCDP-NJDAHSKKSA-N 3 1 329.532 3.265 20 0 EGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000584225912 459685351 /nfs/dbraw/zinc/68/53/51/459685351.db2.gz JRMIQHYFQRPCDP-NJDAHSKKSA-N 3 1 329.532 3.265 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000562987717 459687311 /nfs/dbraw/zinc/68/73/11/459687311.db2.gz JVXDXSRRPIOVRP-CYBMUJFWSA-N 2 1 334.851 3.099 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c1 ZINC000562987620 459687457 /nfs/dbraw/zinc/68/74/57/459687457.db2.gz TYEXQMBRPYOUNW-UTKZUKDTSA-N 2 1 326.484 3.393 20 0 EGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527693466 459703503 /nfs/dbraw/zinc/70/35/03/459703503.db2.gz WNQPQWMPLHMUSW-OAQYLSRUSA-N 2 1 349.478 3.414 20 0 EGADMP COc1cc2c(cc1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)O[C@H](C)C2 ZINC000596675061 459723692 /nfs/dbraw/zinc/72/36/92/459723692.db2.gz QCMHAIAUHPGQOO-HZPDHXFCSA-N 2 1 332.488 3.229 20 0 EGADMP COc1cc2c(cc1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)O[C@H](C)C2 ZINC000596675061 459723695 /nfs/dbraw/zinc/72/36/95/459723695.db2.gz QCMHAIAUHPGQOO-HZPDHXFCSA-N 2 1 332.488 3.229 20 0 EGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)[C@H]1CC12CC2 ZINC000527853288 459758823 /nfs/dbraw/zinc/75/88/23/459758823.db2.gz UHHYFUGKWUNJNG-DFQSSKMNSA-N 2 1 327.516 3.143 20 0 EGADMP Cc1cccc([C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C(C)C)c1 ZINC000527860893 459761087 /nfs/dbraw/zinc/76/10/87/459761087.db2.gz KRWNRWRGOFHTCH-OAQYLSRUSA-N 2 1 345.531 3.224 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CC[C@@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000527925912 459773462 /nfs/dbraw/zinc/77/34/62/459773462.db2.gz KFUFAIRUGFYIBY-BURNTYAHSA-N 2 1 328.500 3.303 20 0 EGADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000574192531 459789954 /nfs/dbraw/zinc/78/99/54/459789954.db2.gz ZZDMONGVVFFOIO-WOJBJXKFSA-N 2 1 348.531 3.001 20 0 EGADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000584782878 459801489 /nfs/dbraw/zinc/80/14/89/459801489.db2.gz VBSZHOSRZKGJLW-BHIFYINESA-N 2 1 335.495 3.146 20 0 EGADMP CCC[N@H+](CCCc1c[nH+]cn1C)[C@H](C)C(=O)Nc1ccccc1C ZINC000574887185 459888763 /nfs/dbraw/zinc/88/87/63/459888763.db2.gz STVYOMPBKZMDBR-QGZVFWFLSA-N 2 1 342.487 3.400 20 0 EGADMP CCC[N@@H+](CCCc1c[nH+]cn1C)[C@H](C)C(=O)Nc1ccccc1C ZINC000574887185 459888769 /nfs/dbraw/zinc/88/87/69/459888769.db2.gz STVYOMPBKZMDBR-QGZVFWFLSA-N 2 1 342.487 3.400 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000574970146 459902278 /nfs/dbraw/zinc/90/22/78/459902278.db2.gz RUUWKVRLMHPXPG-MRXNPFEDSA-N 2 1 343.402 3.011 20 0 EGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000576002449 460051339 /nfs/dbraw/zinc/05/13/39/460051339.db2.gz XRAQYNUQUAEHKX-NRFANRHFSA-N 2 1 349.478 3.414 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3cc(F)ccc3F)C2)CC1 ZINC000610250363 460097424 /nfs/dbraw/zinc/09/74/24/460097424.db2.gz WTJIGIROXBSTOG-RDJZCZTQSA-N 2 1 337.458 3.126 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3cc(F)ccc3F)C2)CC1 ZINC000610250363 460097432 /nfs/dbraw/zinc/09/74/32/460097432.db2.gz WTJIGIROXBSTOG-RDJZCZTQSA-N 2 1 337.458 3.126 20 0 EGADMP C[NH+](C)[C@@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000618669062 460119509 /nfs/dbraw/zinc/11/95/09/460119509.db2.gz DVPKFICTWKFNJL-QUCCMNQESA-N 2 1 343.515 3.203 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000599320397 460228017 /nfs/dbraw/zinc/22/80/17/460228017.db2.gz SESBJIVDHSJSSO-FQEVSTJZSA-N 2 1 343.515 3.163 20 0 EGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000622569215 460280445 /nfs/dbraw/zinc/28/04/45/460280445.db2.gz WCBYMJNYPXVIFV-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622569215 460280450 /nfs/dbraw/zinc/28/04/50/460280450.db2.gz WCBYMJNYPXVIFV-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000622569215 460280455 /nfs/dbraw/zinc/28/04/55/460280455.db2.gz WCBYMJNYPXVIFV-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP CCCOc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000603517429 460315341 /nfs/dbraw/zinc/31/53/41/460315341.db2.gz VTVNSGVZWUIKBQ-FQEVSTJZSA-N 2 1 332.488 3.208 20 0 EGADMP CCC(CC)NC(=O)[C@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062318 460358871 /nfs/dbraw/zinc/35/88/71/460358871.db2.gz OQQYCSFRWAEHNA-INIZCTEOSA-N 2 1 333.520 3.263 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)[C@@H](C)C1 ZINC000611438959 460365402 /nfs/dbraw/zinc/36/54/02/460365402.db2.gz AVNRHOFPSRLJCO-YJBOKZPZSA-N 2 1 332.488 3.462 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)[C@@H](C)C1 ZINC000611438959 460365404 /nfs/dbraw/zinc/36/54/04/460365404.db2.gz AVNRHOFPSRLJCO-YJBOKZPZSA-N 2 1 332.488 3.462 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000623085722 460407314 /nfs/dbraw/zinc/40/73/14/460407314.db2.gz AVLZWQBYKIARTH-UHFFFAOYSA-N 2 1 345.244 3.063 20 0 EGADMP CC1(C)C[NH+](C/C=C/C[N@@H+]2CC(C)(C)OCC2(C)C)C(C)(C)CO1 ZINC000604390528 460417139 /nfs/dbraw/zinc/41/71/39/460417139.db2.gz ZACVBUYKVOIBIM-MDZDMXLPSA-N 2 1 338.536 3.321 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCOC(C)(C)C3)CC2)oc1C ZINC000634680738 460473369 /nfs/dbraw/zinc/47/33/69/460473369.db2.gz ZTAJRVKPAGLBHA-QGZVFWFLSA-N 2 1 335.492 3.051 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000631668098 460501343 /nfs/dbraw/zinc/50/13/43/460501343.db2.gz VLLBEXFSZAOWRJ-LVCYWYKZSA-N 3 1 329.532 3.074 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000631668098 460501351 /nfs/dbraw/zinc/50/13/51/460501351.db2.gz VLLBEXFSZAOWRJ-LVCYWYKZSA-N 2 1 329.532 3.074 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623412636 460535275 /nfs/dbraw/zinc/53/52/75/460535275.db2.gz UKKCCQWSBIZVNC-CYBMUJFWSA-N 2 1 336.423 3.093 20 0 EGADMP O[C@H](C[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21)C[NH+]1CCCC1 ZINC000623871381 460754043 /nfs/dbraw/zinc/75/40/43/460754043.db2.gz CJXSQZTXGCRGFG-KDOFPFPSSA-N 2 1 347.890 3.245 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000620762203 460765878 /nfs/dbraw/zinc/76/58/78/460765878.db2.gz NURIVTKAGJJONW-MRXNPFEDSA-N 2 1 346.906 3.405 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000620762203 460765886 /nfs/dbraw/zinc/76/58/86/460765886.db2.gz NURIVTKAGJJONW-MRXNPFEDSA-N 2 1 346.906 3.405 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1)c1c[nH+]ccc1N ZINC000629545253 460802577 /nfs/dbraw/zinc/80/25/77/460802577.db2.gz KXRWMBCEUKJOFW-WCQYABFASA-N 2 1 334.826 3.216 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCCOCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629561850 460809828 /nfs/dbraw/zinc/80/98/28/460809828.db2.gz JVHZTHPZRZENBI-HZPDHXFCSA-N 2 1 330.394 3.052 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H]1c1ccc(Cl)cc1 ZINC000629582610 460814914 /nfs/dbraw/zinc/81/49/14/460814914.db2.gz WLRJYHQHWJGETP-WOJBJXKFSA-N 2 1 342.870 3.294 20 0 EGADMP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000620935671 460832470 /nfs/dbraw/zinc/83/24/70/460832470.db2.gz VOFLHNHWXCHWAY-FQEVSTJZSA-N 2 1 347.547 3.022 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)CC[C@H]1C(F)(F)F ZINC000629654730 460849307 /nfs/dbraw/zinc/84/93/07/460849307.db2.gz QAILWKCGMNIUBE-DOTOQJQBSA-N 2 1 342.405 3.435 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCC3CC3)cc2)CC[C@H]1C(F)(F)F ZINC000629654730 460849313 /nfs/dbraw/zinc/84/93/13/460849313.db2.gz QAILWKCGMNIUBE-DOTOQJQBSA-N 2 1 342.405 3.435 20 0 EGADMP C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624121762 460869483 /nfs/dbraw/zinc/86/94/83/460869483.db2.gz CRWKMFSINITCQL-CEWLAPEOSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](NC[C@H]1CCCC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624121762 460869489 /nfs/dbraw/zinc/86/94/89/460869489.db2.gz CRWKMFSINITCQL-CEWLAPEOSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](NC[C@H]1CCCC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624121762 460869497 /nfs/dbraw/zinc/86/94/97/460869497.db2.gz CRWKMFSINITCQL-CEWLAPEOSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624121762 460869501 /nfs/dbraw/zinc/86/95/01/460869501.db2.gz CRWKMFSINITCQL-CEWLAPEOSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624121762 460869508 /nfs/dbraw/zinc/86/95/08/460869508.db2.gz CRWKMFSINITCQL-CEWLAPEOSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624121762 460869512 /nfs/dbraw/zinc/86/95/12/460869512.db2.gz CRWKMFSINITCQL-CEWLAPEOSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624121762 460869517 /nfs/dbraw/zinc/86/95/17/460869517.db2.gz CRWKMFSINITCQL-CEWLAPEOSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)o1 ZINC000607939972 460942761 /nfs/dbraw/zinc/94/27/61/460942761.db2.gz GUQOSFCGBLAHNW-MRXNPFEDSA-N 2 1 335.492 3.068 20 0 EGADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)C1CCC1 ZINC000629952348 460972137 /nfs/dbraw/zinc/97/21/37/460972137.db2.gz AKKIPBBZUUSRKB-UHFFFAOYSA-N 2 1 343.515 3.163 20 0 EGADMP C[N@@H+](CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)C1CCC1 ZINC000629953755 460972415 /nfs/dbraw/zinc/97/24/15/460972415.db2.gz SZXTYEUVYVYAIW-UHFFFAOYSA-N 2 1 343.515 3.163 20 0 EGADMP C[N@@H+](CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)C1CCC1 ZINC000630010639 460995914 /nfs/dbraw/zinc/99/59/14/460995914.db2.gz NVVJBHSEKACYIC-UHFFFAOYSA-N 2 1 347.528 3.297 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)C[N@H+](C)CCc2ccccc2)c(F)c1 ZINC000636024615 461013492 /nfs/dbraw/zinc/01/34/92/461013492.db2.gz WCJUCBFLYUJLSF-UHFFFAOYSA-N 2 1 343.446 3.000 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)C[N@@H+](C)CCc2ccccc2)c(F)c1 ZINC000636024615 461013498 /nfs/dbraw/zinc/01/34/98/461013498.db2.gz WCJUCBFLYUJLSF-UHFFFAOYSA-N 2 1 343.446 3.000 20 0 EGADMP Fc1ccc([C@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662251449 461144174 /nfs/dbraw/zinc/14/41/74/461144174.db2.gz CYRVJRZKVAOFLO-HXUWFJFHSA-N 2 1 326.415 3.045 20 0 EGADMP Fc1ccc([C@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662251449 461144180 /nfs/dbraw/zinc/14/41/80/461144180.db2.gz CYRVJRZKVAOFLO-HXUWFJFHSA-N 2 1 326.415 3.045 20 0 EGADMP Cn1cncc1CCC[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000662269979 461156824 /nfs/dbraw/zinc/15/68/24/461156824.db2.gz FVFFDOKJCSJIBL-FPOVZHCZSA-N 2 1 340.515 3.025 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2nc3ccccc3s2)C1 ZINC000652363991 461156929 /nfs/dbraw/zinc/15/69/29/461156929.db2.gz UFESOUOHYLGHEL-VNQPRFMTSA-N 2 1 331.485 3.157 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC[C@@H]3CCc4ccccc43)C2)C1 ZINC000662286944 461167317 /nfs/dbraw/zinc/16/73/17/461167317.db2.gz UQDNVWXKDXRXSK-PXCRPINLSA-N 2 1 328.500 3.325 20 0 EGADMP CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312786 461183908 /nfs/dbraw/zinc/18/39/08/461183908.db2.gz DWVCHCCMDWWTLH-VQIMIIECSA-N 2 1 349.494 3.014 20 0 EGADMP Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1C ZINC000662314042 461185482 /nfs/dbraw/zinc/18/54/82/461185482.db2.gz LRFCZPADYDOGJQ-YVWKXTFCSA-N 2 1 345.531 3.320 20 0 EGADMP Fc1cccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662327090 461195527 /nfs/dbraw/zinc/19/55/27/461195527.db2.gz ITBFFOBACHGTMC-UHFFFAOYSA-N 2 1 342.462 3.395 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000662343442 461200885 /nfs/dbraw/zinc/20/08/85/461200885.db2.gz QYHVDBGGZCJYCV-YOEHRIQHSA-N 2 1 339.911 3.070 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)C1=CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000638080474 461230940 /nfs/dbraw/zinc/23/09/40/461230940.db2.gz NVHVWYPJFNGLGH-IBGZPJMESA-N 2 1 341.499 3.115 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1cccc2c1C[NH2+]C2 ZINC000662421279 461237673 /nfs/dbraw/zinc/23/76/73/461237673.db2.gz WXHTXXVVFBXNTK-LJQANCHMSA-N 2 1 349.478 3.074 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@@H](C[NH+]3CCCC3)C1)CC2 ZINC000638112788 461247535 /nfs/dbraw/zinc/24/75/35/461247535.db2.gz NMIRCHUBWLSIRA-MAUKXSAKSA-N 2 1 330.472 3.109 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@@H](C[NH+]3CCCC3)C1)CC2 ZINC000638112788 461247543 /nfs/dbraw/zinc/24/75/43/461247543.db2.gz NMIRCHUBWLSIRA-MAUKXSAKSA-N 2 1 330.472 3.109 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000662459297 461251076 /nfs/dbraw/zinc/25/10/76/461251076.db2.gz FXRNYUOMESGRNZ-QRVBRYPASA-N 2 1 337.552 3.111 20 0 EGADMP CN(CCCC[NH+]1CCCCC1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000641663753 461311151 /nfs/dbraw/zinc/31/11/51/461311151.db2.gz UVIWXUYRNVLYKP-LJQANCHMSA-N 2 1 335.536 3.118 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3[NH2+]CCC3(C)C)cc2)C1 ZINC000662676490 461343395 /nfs/dbraw/zinc/34/33/95/461343395.db2.gz XJXWTHJTMBJVNI-CRAIPNDOSA-N 2 1 329.488 3.245 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H](CO)CC(F)(F)F ZINC000641743704 461346034 /nfs/dbraw/zinc/34/60/34/461346034.db2.gz GORSMEJTCWVGSM-OAHLLOKOSA-N 2 1 332.410 3.048 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H](CO)CC(F)(F)F ZINC000641743704 461346039 /nfs/dbraw/zinc/34/60/39/461346039.db2.gz GORSMEJTCWVGSM-OAHLLOKOSA-N 2 1 332.410 3.048 20 0 EGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000641773047 461363386 /nfs/dbraw/zinc/36/33/86/461363386.db2.gz CUXZHFMNUZCQEC-OAQYLSRUSA-N 2 1 343.515 3.060 20 0 EGADMP Cc1cc(C)c(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C)c1 ZINC000655694429 461367262 /nfs/dbraw/zinc/36/72/62/461367262.db2.gz HEJSHWQGYVBTQN-HXUWFJFHSA-N 2 1 330.516 3.387 20 0 EGADMP CCN(CCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655696406 461370543 /nfs/dbraw/zinc/37/05/43/461370543.db2.gz ORDXDHUCQPXTRR-OAQYLSRUSA-N 2 1 345.531 3.136 20 0 EGADMP C[C@H](OCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655698793 461370793 /nfs/dbraw/zinc/37/07/93/461370793.db2.gz VWKPNTHNAZHPTA-RXVVDRJESA-N 2 1 346.515 3.387 20 0 EGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000655711641 461383430 /nfs/dbraw/zinc/38/34/30/461383430.db2.gz KBSBWJPUKHUOGT-QGZVFWFLSA-N 2 1 326.488 3.311 20 0 EGADMP FC(F)(F)[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655719704 461388776 /nfs/dbraw/zinc/38/87/76/461388776.db2.gz VXIOFZAYBVBMBY-CWRNSKLLSA-N 2 1 334.426 3.198 20 0 EGADMP c1ccc2c(c1)CCS[C@H]2C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655722076 461391477 /nfs/dbraw/zinc/39/14/77/461391477.db2.gz WDKCRTWBBLGMAZ-QUCCMNQESA-N 2 1 346.540 3.250 20 0 EGADMP CC(C)c1ccccc1OCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655728009 461396295 /nfs/dbraw/zinc/39/62/95/461396295.db2.gz SSLCSLIJITWWLU-IBGZPJMESA-N 2 1 346.515 3.422 20 0 EGADMP CC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382207 461398162 /nfs/dbraw/zinc/39/81/62/461398162.db2.gz TWJDDKWPUBUWSB-YFVAEKQCSA-N 2 1 327.516 3.286 20 0 EGADMP CC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382207 461398171 /nfs/dbraw/zinc/39/81/71/461398171.db2.gz TWJDDKWPUBUWSB-YFVAEKQCSA-N 2 1 327.516 3.286 20 0 EGADMP CC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382207 461398178 /nfs/dbraw/zinc/39/81/78/461398178.db2.gz TWJDDKWPUBUWSB-YFVAEKQCSA-N 2 1 327.516 3.286 20 0 EGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382207 461398183 /nfs/dbraw/zinc/39/81/83/461398183.db2.gz TWJDDKWPUBUWSB-YFVAEKQCSA-N 2 1 327.516 3.286 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382207 461398186 /nfs/dbraw/zinc/39/81/86/461398186.db2.gz TWJDDKWPUBUWSB-YFVAEKQCSA-N 2 1 327.516 3.286 20 0 EGADMP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000655729769 461399667 /nfs/dbraw/zinc/39/96/67/461399667.db2.gz KCCOBDCKJNBMSZ-HXUWFJFHSA-N 2 1 330.516 3.488 20 0 EGADMP CCn1c(C)cc2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655744300 461411624 /nfs/dbraw/zinc/41/16/24/461411624.db2.gz OZANFCDGBWUROF-UYAOXDASSA-N 2 1 345.531 3.427 20 0 EGADMP CC(CC[NH+]1CCCOC(C)(C)C1)CC[N@H+]1CCCOC(C)(C)C1 ZINC000662927301 461413787 /nfs/dbraw/zinc/41/37/87/461413787.db2.gz UATUSDAVMMOWMF-UHFFFAOYSA-N 2 1 340.552 3.405 20 0 EGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)c1 ZINC000638434287 461426957 /nfs/dbraw/zinc/42/69/57/461426957.db2.gz JXDXEUBIHDOTFJ-APWZRJJASA-N 2 1 331.504 3.064 20 0 EGADMP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCC2 ZINC000655764398 461431568 /nfs/dbraw/zinc/43/15/68/461431568.db2.gz GLEOGZHYNMEBTQ-UYAOXDASSA-N 2 1 332.463 3.436 20 0 EGADMP c1ccc([C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)cc1 ZINC000655770645 461436024 /nfs/dbraw/zinc/43/60/24/461436024.db2.gz NBHDRGGEXAAUJW-SFTDATJTSA-N 2 1 328.500 3.413 20 0 EGADMP OCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000666120661 461460847 /nfs/dbraw/zinc/46/08/47/461460847.db2.gz PBGFHAGBMUWGQV-VQIMIIECSA-N 2 1 336.907 3.413 20 0 EGADMP CC[C@H]1CN(C(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)CC[C@H]1[NH3+] ZINC000647009539 461480875 /nfs/dbraw/zinc/48/08/75/461480875.db2.gz FNIOCQXBGKEUME-PKOBYXMFSA-N 2 1 331.504 3.116 20 0 EGADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3c4ccccc4C[C@@H]3O)CC2)C1 ZINC000655840502 461490935 /nfs/dbraw/zinc/49/09/35/461490935.db2.gz XZPJFHRLSHYLNA-MTOHEIAKSA-N 2 1 328.500 3.277 20 0 EGADMP O[C@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000655840510 461491344 /nfs/dbraw/zinc/49/13/44/461491344.db2.gz YDCAOSUNBYUWKH-QWCYLASJSA-N 2 1 348.490 3.430 20 0 EGADMP O[C@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000655840510 461491352 /nfs/dbraw/zinc/49/13/52/461491352.db2.gz YDCAOSUNBYUWKH-QWCYLASJSA-N 2 1 348.490 3.430 20 0 EGADMP CC(C)(C)C(=O)NCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638574081 461492380 /nfs/dbraw/zinc/49/23/80/461492380.db2.gz OXZLELOPSBCVPL-HKUYNNGSSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)(C)C(=O)NCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638574081 461492388 /nfs/dbraw/zinc/49/23/88/461492388.db2.gz OXZLELOPSBCVPL-HKUYNNGSSA-N 2 1 343.515 3.106 20 0 EGADMP C[N@H+]1CCC[C@H](CN[C@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638587422 461496114 /nfs/dbraw/zinc/49/61/14/461496114.db2.gz CKXMLQISTJQCFT-LMNJBCLMSA-N 2 1 327.516 3.286 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638587422 461496122 /nfs/dbraw/zinc/49/61/22/461496122.db2.gz CKXMLQISTJQCFT-LMNJBCLMSA-N 2 1 327.516 3.286 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638587422 461496130 /nfs/dbraw/zinc/49/61/30/461496130.db2.gz CKXMLQISTJQCFT-LMNJBCLMSA-N 2 1 327.516 3.286 20 0 EGADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000638723140 461547824 /nfs/dbraw/zinc/54/78/24/461547824.db2.gz YORIZLPHPMITNE-UMGGQSCQSA-N 2 1 343.515 3.076 20 0 EGADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000638723140 461547832 /nfs/dbraw/zinc/54/78/32/461547832.db2.gz YORIZLPHPMITNE-UMGGQSCQSA-N 2 1 343.515 3.076 20 0 EGADMP c1[nH]nc2c1CC[C@H]([NH2+][C@@H]1CC[N@@H+](C3CC3)[C@H](c3ccccc3)C1)C2 ZINC000638743674 461558181 /nfs/dbraw/zinc/55/81/81/461558181.db2.gz MVMRQRBCIXIJAH-UEXGIBASSA-N 2 1 336.483 3.225 20 0 EGADMP c1[nH]nc2c1CC[C@H]([NH2+][C@@H]1CC[N@H+](C3CC3)[C@H](c3ccccc3)C1)C2 ZINC000638743674 461558189 /nfs/dbraw/zinc/55/81/89/461558189.db2.gz MVMRQRBCIXIJAH-UEXGIBASSA-N 2 1 336.483 3.225 20 0 EGADMP c1[nH]nc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+](C3CC3)[C@H](c3ccccc3)C1)C2 ZINC000638743675 461558280 /nfs/dbraw/zinc/55/82/80/461558280.db2.gz MVMRQRBCIXIJAH-WFXMLNOXSA-N 2 1 336.483 3.225 20 0 EGADMP c1[nH]nc2c1CC[C@H]([NH2+][C@H]1CC[N@H+](C3CC3)[C@H](c3ccccc3)C1)C2 ZINC000638743675 461558285 /nfs/dbraw/zinc/55/82/85/461558285.db2.gz MVMRQRBCIXIJAH-WFXMLNOXSA-N 2 1 336.483 3.225 20 0 EGADMP c1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000663343929 461570821 /nfs/dbraw/zinc/57/08/21/461570821.db2.gz KBOZMOCOUPXKCI-IBGZPJMESA-N 2 1 327.516 3.367 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(C)(C)n2cncn2)cc1 ZINC000638768987 461570849 /nfs/dbraw/zinc/57/08/49/461570849.db2.gz IYFFBAABRBPUHL-GJZGRUSLSA-N 2 1 338.459 3.247 20 0 EGADMP Fc1ccccc1-c1n[nH]cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346591 461575692 /nfs/dbraw/zinc/57/56/92/461575692.db2.gz WCVCAZZJLZUVRK-MRXNPFEDSA-N 2 1 342.462 3.427 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(F)ccc1OC(F)F ZINC000660118739 461591603 /nfs/dbraw/zinc/59/16/03/461591603.db2.gz VSHPRWRJOBJTSQ-UHFFFAOYSA-N 2 1 327.350 3.454 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(F)ccc1OC(F)F ZINC000660118739 461591612 /nfs/dbraw/zinc/59/16/12/461591612.db2.gz VSHPRWRJOBJTSQ-UHFFFAOYSA-N 2 1 327.350 3.454 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2[C@H](C)C[NH+](C)[C@@H](C)[C@@H]2C)cc1)C(C)C ZINC000650149806 461601045 /nfs/dbraw/zinc/60/10/45/461601045.db2.gz KKPSRRILQDWPRG-SQNIBIBYSA-N 2 1 345.531 3.470 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)cc1)C(C)C ZINC000650149806 461601051 /nfs/dbraw/zinc/60/10/51/461601051.db2.gz KKPSRRILQDWPRG-SQNIBIBYSA-N 2 1 345.531 3.470 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]2C)cc1)C(C)C ZINC000650149806 461601054 /nfs/dbraw/zinc/60/10/54/461601054.db2.gz KKPSRRILQDWPRG-SQNIBIBYSA-N 2 1 345.531 3.470 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(F)c2ccccc12 ZINC000631180020 461617424 /nfs/dbraw/zinc/61/74/24/461617424.db2.gz LVBKCDJZCAKTDM-UHFFFAOYSA-N 2 1 329.463 3.048 20 0 EGADMP Cc1ccnc(C)c1NC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000650189307 461630259 /nfs/dbraw/zinc/63/02/59/461630259.db2.gz CCMSBINXJDALCT-GOSISDBHSA-N 2 1 338.455 3.089 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn(C)nc1C(F)F ZINC000631195952 461637553 /nfs/dbraw/zinc/63/75/53/461637553.db2.gz LHIKKAHXQWBWSH-HOCLYGCPSA-N 2 1 348.441 3.215 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn(C)nc1C(F)F ZINC000631195952 461637558 /nfs/dbraw/zinc/63/75/58/461637558.db2.gz LHIKKAHXQWBWSH-HOCLYGCPSA-N 2 1 348.441 3.215 20 0 EGADMP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467967 461656602 /nfs/dbraw/zinc/65/66/02/461656602.db2.gz IZPZBRHBMKZKLJ-PKOBYXMFSA-N 2 1 343.515 3.140 20 0 EGADMP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663472192 461662029 /nfs/dbraw/zinc/66/20/29/461662029.db2.gz ZKJLNARUFNQDGR-HKUYNNGSSA-N 2 1 346.515 3.484 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc([C@H](C)[NH3+])cc3)C2)cc1 ZINC000639001852 461674598 /nfs/dbraw/zinc/67/45/98/461674598.db2.gz POVQSUPKJJMIGB-JXFKEZNVSA-N 2 1 337.467 3.019 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000653525620 461700568 /nfs/dbraw/zinc/70/05/68/461700568.db2.gz AERKTKXVOQRUBM-ICSRJNTNSA-N 2 1 327.472 3.452 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000653525620 461700581 /nfs/dbraw/zinc/70/05/81/461700581.db2.gz AERKTKXVOQRUBM-ICSRJNTNSA-N 2 1 327.472 3.452 20 0 EGADMP COc1ccc2[nH]cc(CC[NH2+][C@@H](Cc3ccccc3)[C@H](C)[NH3+])c2c1 ZINC000643453625 461731245 /nfs/dbraw/zinc/73/12/45/461731245.db2.gz MEYSTYXWOLAOOE-BTYIYWSLSA-N 2 1 337.467 3.267 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@@H]1[NH3+] ZINC000647498149 461736461 /nfs/dbraw/zinc/73/64/61/461736461.db2.gz BLKVMBAXKOCQKI-QUCCMNQESA-N 2 1 325.456 3.220 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC45CC[NH2+]CC5)[C@@H]3C2)cc1 ZINC000643535015 461754045 /nfs/dbraw/zinc/75/40/45/461754045.db2.gz HICPTVJLXYOWQS-JSXRDJHFSA-N 3 1 339.527 3.019 20 0 EGADMP c1cc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543684 461758372 /nfs/dbraw/zinc/75/83/72/461758372.db2.gz RCSMOGAHYKIAFH-LSDHHAIUSA-N 2 1 330.501 3.350 20 0 EGADMP Cn1c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc2ccc(Cl)cc21 ZINC000647543558 461759544 /nfs/dbraw/zinc/75/95/44/461759544.db2.gz PLAKDXICPJYMJX-GJZGRUSLSA-N 2 1 346.906 3.438 20 0 EGADMP O[C@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639247449 461824687 /nfs/dbraw/zinc/82/46/87/461824687.db2.gz KVJBPRHIKBWBRE-ZFMNYDKASA-N 2 1 328.500 3.495 20 0 EGADMP O[C@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639247449 461824696 /nfs/dbraw/zinc/82/46/96/461824696.db2.gz KVJBPRHIKBWBRE-ZFMNYDKASA-N 2 1 328.500 3.495 20 0 EGADMP CC(C)c1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(O)c(=O)c1 ZINC000663830413 461828029 /nfs/dbraw/zinc/82/80/29/461828029.db2.gz KWVYDJPMBHJLBM-SFHVURJKSA-N 2 1 344.499 3.040 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647786713 461834500 /nfs/dbraw/zinc/83/45/00/461834500.db2.gz XCTBRLBUWLQZDE-XLBJILASSA-N 3 1 327.516 3.190 20 0 EGADMP O=C(CC[N@@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccc(Cl)cc1F ZINC000647814653 461847566 /nfs/dbraw/zinc/84/75/66/461847566.db2.gz XVQCGEHCADAMSY-UHFFFAOYSA-N 2 1 339.842 3.024 20 0 EGADMP Fc1cc(Br)cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647815271 461849869 /nfs/dbraw/zinc/84/98/69/461849869.db2.gz WXGUSEGHHIASSU-UHFFFAOYSA-N 2 1 327.241 3.305 20 0 EGADMP Fc1cc(Br)cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647815271 461849876 /nfs/dbraw/zinc/84/98/76/461849876.db2.gz WXGUSEGHHIASSU-UHFFFAOYSA-N 2 1 327.241 3.305 20 0 EGADMP COc1cc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)ccc1OCc1ccccc1 ZINC000647872606 461865277 /nfs/dbraw/zinc/86/52/77/461865277.db2.gz GELWUTVZRTWCJQ-LJQANCHMSA-N 2 1 340.467 3.316 20 0 EGADMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)ccc1OCc1ccccc1 ZINC000647872606 461865282 /nfs/dbraw/zinc/86/52/82/461865282.db2.gz GELWUTVZRTWCJQ-LJQANCHMSA-N 2 1 340.467 3.316 20 0 EGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNc1[nH+]ccc2[nH]ccc21 ZINC000647877943 461867423 /nfs/dbraw/zinc/86/74/23/461867423.db2.gz JGTVJFJDVCRDSQ-KRWDZBQOSA-N 2 1 336.439 3.132 20 0 EGADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656782540 461892992 /nfs/dbraw/zinc/89/29/92/461892992.db2.gz HJLGOVRVNOVMHY-IBGZPJMESA-N 2 1 330.520 3.138 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)C1 ZINC000650706917 461899400 /nfs/dbraw/zinc/89/94/00/461899400.db2.gz VNKQAWMJSSAPSA-ZHALLVOQSA-N 2 1 341.455 3.060 20 0 EGADMP CCCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650705984 461899464 /nfs/dbraw/zinc/89/94/64/461899464.db2.gz BLTKNFIEKFQFNI-CMKODMSKSA-N 2 1 332.488 3.194 20 0 EGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@@H]2CCOc3ccccc32)cc1 ZINC000656790165 461900082 /nfs/dbraw/zinc/90/00/82/461900082.db2.gz NHVZCYMOSXDILO-QRFRQXIXSA-N 2 1 340.442 3.427 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(F)cc4cccnc43)C2)C1 ZINC000650708061 461901149 /nfs/dbraw/zinc/90/11/49/461901149.db2.gz SQTFKPDSKGOGIS-IPELMVKDSA-N 2 1 343.446 3.092 20 0 EGADMP C[C@H](CCc1ccccc1)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707874 461901824 /nfs/dbraw/zinc/90/18/24/461901824.db2.gz OSCXGFCCAQEPDY-GFOJFJKKSA-N 2 1 330.516 3.474 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)ccc1OC(F)F ZINC000666999392 461905387 /nfs/dbraw/zinc/90/53/87/461905387.db2.gz BRKRXOFVDXDDKV-AWEZNQCLSA-N 2 1 340.414 3.451 20 0 EGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCCc1nc(-c3ccccc3)no1)C2 ZINC000660656173 461908372 /nfs/dbraw/zinc/90/83/72/461908372.db2.gz QJXQCDBQFJPDIH-HXUWFJFHSA-N 2 1 340.471 3.087 20 0 EGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCc1nc(-c3ccccc3)no1)C2 ZINC000660656173 461908375 /nfs/dbraw/zinc/90/83/75/461908375.db2.gz QJXQCDBQFJPDIH-HXUWFJFHSA-N 2 1 340.471 3.087 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCc1nc(-c3ccccc3)no1)C2 ZINC000660656173 461908379 /nfs/dbraw/zinc/90/83/79/461908379.db2.gz QJXQCDBQFJPDIH-HXUWFJFHSA-N 2 1 340.471 3.087 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCc1nc(-c3ccccc3)no1)C2 ZINC000660656173 461908383 /nfs/dbraw/zinc/90/83/83/461908383.db2.gz QJXQCDBQFJPDIH-HXUWFJFHSA-N 2 1 340.471 3.087 20 0 EGADMP c1ccc(C(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)cc1 ZINC000647971870 461913405 /nfs/dbraw/zinc/91/34/05/461913405.db2.gz WTFOMESCMZVETL-NHCUHLMSSA-N 2 1 336.479 3.334 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2F)C1 ZINC000650722959 461914544 /nfs/dbraw/zinc/91/45/44/461914544.db2.gz FIJSLXYASDUFHX-FVQBIDKESA-N 2 1 326.843 3.340 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000647972033 461915566 /nfs/dbraw/zinc/91/55/66/461915566.db2.gz GWOWTKTZVZDOSQ-MRXNPFEDSA-N 2 1 346.437 3.317 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2F)C1 ZINC000650723714 461916001 /nfs/dbraw/zinc/91/60/01/461916001.db2.gz SGDXEZUDPTVSGP-HYVNUMGLSA-N 2 1 326.843 3.340 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000647974928 461917411 /nfs/dbraw/zinc/91/74/11/461917411.db2.gz CCDLQQPKBXGLPU-RBUKOAKNSA-N 2 1 343.515 3.262 20 0 EGADMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000647975920 461917559 /nfs/dbraw/zinc/91/75/59/461917559.db2.gz HOVTVRFSWXYFSP-JKSUJKDBSA-N 2 1 349.906 3.380 20 0 EGADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000647976509 461918311 /nfs/dbraw/zinc/91/83/11/461918311.db2.gz POXDCDIQEQYEES-HOTGVXAUSA-N 2 1 349.906 3.380 20 0 EGADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC000650742114 461929724 /nfs/dbraw/zinc/92/97/24/461929724.db2.gz RITSHSGFWIITMS-KBXCAEBGSA-N 2 1 329.419 3.491 20 0 EGADMP C[C@@H]1C[C@@H](NCc2ccc(C[NH3+])cc2F)C[N@@H+]1Cc1ccccc1 ZINC000650753751 461934445 /nfs/dbraw/zinc/93/44/45/461934445.db2.gz UZXILFNVCQJJLW-DNVCBOLYSA-N 2 1 327.447 3.037 20 0 EGADMP C[C@@H]1C[C@@H](NCc2ccc(C[NH3+])cc2F)C[N@H+]1Cc1ccccc1 ZINC000650753751 461934454 /nfs/dbraw/zinc/93/44/54/461934454.db2.gz UZXILFNVCQJJLW-DNVCBOLYSA-N 2 1 327.447 3.037 20 0 EGADMP CC(C)n1cc(C2=CCC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)nn1 ZINC000660714733 461934879 /nfs/dbraw/zinc/93/48/79/461934879.db2.gz GXHDBFXMCDDTPK-GOSISDBHSA-N 2 1 331.508 3.213 20 0 EGADMP CC(C)n1cc(C2=CCC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)nn1 ZINC000660714733 461934885 /nfs/dbraw/zinc/93/48/85/461934885.db2.gz GXHDBFXMCDDTPK-GOSISDBHSA-N 2 1 331.508 3.213 20 0 EGADMP C[C@@H](NCc1ccc(C[NH3+])cc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000650753507 461935482 /nfs/dbraw/zinc/93/54/82/461935482.db2.gz OTTQCNPPOHADQP-OAHLLOKOSA-N 2 1 345.462 3.076 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000648047956 461958219 /nfs/dbraw/zinc/95/82/19/461958219.db2.gz VJWRVCCLEWNVPW-QUCCMNQESA-N 2 1 332.488 3.018 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657314183 462039649 /nfs/dbraw/zinc/03/96/49/462039649.db2.gz XKJNFFFTNFIPLJ-UEXGIBASSA-N 2 1 346.515 3.312 20 0 EGADMP c1nn(Cc2ccccc2)cc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639703695 462067143 /nfs/dbraw/zinc/06/71/43/462067143.db2.gz LPSIAVNFBOZBRC-UHFFFAOYSA-N 2 1 347.466 3.039 20 0 EGADMP CC(C)n1ccnc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000657357673 462068424 /nfs/dbraw/zinc/06/84/24/462068424.db2.gz OVCJMZKGFYVCLQ-UHFFFAOYSA-N 2 1 342.487 3.228 20 0 EGADMP C[N@@H+](Cc1ccc2c(c1)CCCC2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000644833916 462098230 /nfs/dbraw/zinc/09/82/30/462098230.db2.gz NDVHTBFZCWNAAT-QFIPXVFZSA-N 2 1 341.543 3.166 20 0 EGADMP CC[C@@H](C)[N@@H+](CC)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000661110459 462107506 /nfs/dbraw/zinc/10/75/06/462107506.db2.gz YKVQFETUIVAHLZ-QGZVFWFLSA-N 2 1 331.504 3.019 20 0 EGADMP c1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n(CC2CC2)n1 ZINC000667501982 462115900 /nfs/dbraw/zinc/11/59/00/462115900.db2.gz QCWNXHICBZNEMI-UHFFFAOYSA-N 2 1 330.520 3.381 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@H]3CCOC3)cc2)C[C@H]1C ZINC000667664830 462199395 /nfs/dbraw/zinc/19/93/95/462199395.db2.gz UENOTVZBGOTSHP-KPFFTGBYSA-N 2 1 332.488 3.159 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(O[C@H]3CCOC3)cc2)C[C@H]1C ZINC000667664830 462199401 /nfs/dbraw/zinc/19/94/01/462199401.db2.gz UENOTVZBGOTSHP-KPFFTGBYSA-N 2 1 332.488 3.159 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(O[C@H]3CCOC3)cc2)C[C@H]1C ZINC000667664830 462199408 /nfs/dbraw/zinc/19/94/08/462199408.db2.gz UENOTVZBGOTSHP-KPFFTGBYSA-N 2 1 332.488 3.159 20 0 EGADMP CC1([NH+]2CCCC2)CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000639981909 462203367 /nfs/dbraw/zinc/20/33/67/462203367.db2.gz WAICYQLFSWNLSK-UHFFFAOYSA-N 2 1 333.451 3.105 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648758090 462264735 /nfs/dbraw/zinc/26/47/35/462264735.db2.gz CDTQHBMRUUKDSU-SJORKVTESA-N 2 1 334.508 3.167 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648758090 462264742 /nfs/dbraw/zinc/26/47/42/462264742.db2.gz CDTQHBMRUUKDSU-SJORKVTESA-N 2 1 334.508 3.167 20 0 EGADMP CC1(C)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@@H]2CCC[C@@H]21 ZINC000657969338 462332244 /nfs/dbraw/zinc/33/22/44/462332244.db2.gz NDXXRCXXFASHEA-ZGXWSNOMSA-N 2 1 328.500 3.168 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc2ccncc2s1 ZINC000657992217 462339899 /nfs/dbraw/zinc/33/98/99/462339899.db2.gz DIQNGIDBNZMDCY-CABCVRRESA-N 2 1 333.501 3.448 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc2ccncc2s1 ZINC000657992217 462339903 /nfs/dbraw/zinc/33/99/03/462339903.db2.gz DIQNGIDBNZMDCY-CABCVRRESA-N 2 1 333.501 3.448 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(COC[C@H]2CCCO2)c1)c1c[nH+]ccc1N ZINC000665294622 462388459 /nfs/dbraw/zinc/38/84/59/462388459.db2.gz SBBRMOQNYSAGSV-MAUKXSAKSA-N 2 1 341.455 3.041 20 0 EGADMP Cc1ccc(N2CCC(C(=O)Nc3cc(C)cc(C[NH3+])c3)CC2)[nH+]c1 ZINC000654835543 462396524 /nfs/dbraw/zinc/39/65/24/462396524.db2.gz WXCUBJMKCRMPDA-UHFFFAOYSA-N 2 1 338.455 3.012 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1(CO)CC1 ZINC000658157336 462410270 /nfs/dbraw/zinc/41/02/70/462410270.db2.gz YPKRJVGHTGEGCE-IJXRJRJASA-N 2 1 328.500 3.038 20 0 EGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652154793 462454973 /nfs/dbraw/zinc/45/49/73/462454973.db2.gz OSDJXIYYXDMULV-KBMXLJTQSA-N 2 1 336.476 3.236 20 0 EGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652154793 462454977 /nfs/dbraw/zinc/45/49/77/462454977.db2.gz OSDJXIYYXDMULV-KBMXLJTQSA-N 2 1 336.476 3.236 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccncn1 ZINC000658317555 462475062 /nfs/dbraw/zinc/47/50/62/462475062.db2.gz MRORPJNDWBPRRH-MJGOQNOKSA-N 2 1 336.483 3.430 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccncn1 ZINC000658317555 462475067 /nfs/dbraw/zinc/47/50/67/462475067.db2.gz MRORPJNDWBPRRH-MJGOQNOKSA-N 2 1 336.483 3.430 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000649340667 462481655 /nfs/dbraw/zinc/48/16/55/462481655.db2.gz UISCTVHCXNHVCY-LEWJYISDSA-N 2 1 329.532 3.456 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000649340667 462481660 /nfs/dbraw/zinc/48/16/60/462481660.db2.gz UISCTVHCXNHVCY-LEWJYISDSA-N 2 1 329.532 3.456 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000649340667 462481666 /nfs/dbraw/zinc/48/16/66/462481666.db2.gz UISCTVHCXNHVCY-LEWJYISDSA-N 2 1 329.532 3.456 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000646105826 462518753 /nfs/dbraw/zinc/51/87/53/462518753.db2.gz JDXBTNKOPNFHGF-LJQANCHMSA-N 2 1 343.515 3.019 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)c2cc(F)ccc2F)CC1 ZINC000191454054 529039503 /nfs/dbraw/zinc/03/95/03/529039503.db2.gz SYJUFRDGHTZFFR-INIZCTEOSA-N 2 1 339.474 3.374 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000246878891 534957420 /nfs/dbraw/zinc/95/74/20/534957420.db2.gz DWINREUUQLBBGP-HUUCEWRRSA-N 2 1 336.476 3.095 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC[NH+](C)CC1 ZINC000126904403 546763981 /nfs/dbraw/zinc/76/39/81/546763981.db2.gz GXSZBARNZJRSAL-SJORKVTESA-N 3 1 335.561 3.280 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC[NH+](C)CC1 ZINC000126904403 546763985 /nfs/dbraw/zinc/76/39/85/546763985.db2.gz GXSZBARNZJRSAL-SJORKVTESA-N 3 1 335.561 3.280 20 0 EGADMP CC(C)CO[C@@H]1CC[NH+](CC[C@@H](C)[N@@H+]2CC[C@H](OCC(C)C)C2)C1 ZINC000154005697 546886360 /nfs/dbraw/zinc/88/63/60/546886360.db2.gz IMMFQCDSRPKDST-AQNXPRMDSA-N 2 1 340.552 3.259 20 0 EGADMP CC(C)CO[C@@H]1CC[NH+](CC[C@@H](C)[N@H+]2CC[C@H](OCC(C)C)C2)C1 ZINC000154005697 546886365 /nfs/dbraw/zinc/88/63/65/546886365.db2.gz IMMFQCDSRPKDST-AQNXPRMDSA-N 2 1 340.552 3.259 20 0 EGADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000161594812 546958540 /nfs/dbraw/zinc/95/85/40/546958540.db2.gz AXVJNWZAEJSQGT-GHTZIAJQSA-N 2 1 329.532 3.361 20 0 EGADMP O=C(Nc1cccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1)C1CCC1 ZINC000166065507 546988409 /nfs/dbraw/zinc/98/84/09/546988409.db2.gz QOKIIWRHCTXLTB-PKOBYXMFSA-N 2 1 327.472 3.142 20 0 EGADMP O=C(Nc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1)C1CCC1 ZINC000166065507 546988413 /nfs/dbraw/zinc/98/84/13/546988413.db2.gz QOKIIWRHCTXLTB-PKOBYXMFSA-N 2 1 327.472 3.142 20 0 EGADMP O=C(Nc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1)C1CCC1 ZINC000166065507 546988417 /nfs/dbraw/zinc/98/84/17/546988417.db2.gz QOKIIWRHCTXLTB-PKOBYXMFSA-N 2 1 327.472 3.142 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166626759 546989602 /nfs/dbraw/zinc/98/96/02/546989602.db2.gz YHXAFNJHSSXPJX-DUXKGJEZSA-N 2 1 327.516 3.428 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H]3CCc4ccc(F)cc43)CC2)nc(C)[nH+]1 ZINC000178695571 547039311 /nfs/dbraw/zinc/03/93/11/547039311.db2.gz XMDIUIAXHQAVRP-IBGZPJMESA-N 2 1 340.446 3.478 20 0 EGADMP CCc1nn(C)cc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000180026395 547052152 /nfs/dbraw/zinc/05/21/52/547052152.db2.gz CUGVRTXETKMZJV-UHFFFAOYSA-N 2 1 340.515 3.327 20 0 EGADMP CCOC[C@@H]1CCC[NH+]([C@H](C)CC[N@@H+]2CCC[C@@H](COCC)C2)C1 ZINC000245696374 547267837 /nfs/dbraw/zinc/26/78/37/547267837.db2.gz SFHCCKPRXNUXSU-VAMGGRTRSA-N 2 1 340.552 3.262 20 0 EGADMP CCOC[C@@H]1CCC[NH+](CC[C@@H](C)[N@@H+]2CCC[C@@H](COCC)C2)C1 ZINC000245696374 547267841 /nfs/dbraw/zinc/26/78/41/547267841.db2.gz SFHCCKPRXNUXSU-VAMGGRTRSA-N 2 1 340.552 3.262 20 0 EGADMP CCOC[C@@H]1CCC[NH+](CC[C@@H](C)[N@H+]2CCC[C@@H](COCC)C2)C1 ZINC000245696374 547267845 /nfs/dbraw/zinc/26/78/45/547267845.db2.gz SFHCCKPRXNUXSU-VAMGGRTRSA-N 2 1 340.552 3.262 20 0 EGADMP CCCn1nccc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310207580 547461217 /nfs/dbraw/zinc/46/12/17/547461217.db2.gz DGHCQFSXVZMOMH-HKUYNNGSSA-N 2 1 326.488 3.293 20 0 EGADMP CCCn1nccc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310207580 547461221 /nfs/dbraw/zinc/46/12/21/547461221.db2.gz DGHCQFSXVZMOMH-HKUYNNGSSA-N 2 1 326.488 3.293 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000310105352 547461753 /nfs/dbraw/zinc/46/17/53/547461753.db2.gz ZVTAWAYTXSJABZ-NJYVYQBISA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](CN[C@@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000310105352 547461757 /nfs/dbraw/zinc/46/17/57/547461757.db2.gz ZVTAWAYTXSJABZ-NJYVYQBISA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN[C@@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000310105352 547461761 /nfs/dbraw/zinc/46/17/61/547461761.db2.gz ZVTAWAYTXSJABZ-NJYVYQBISA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000310105352 547461763 /nfs/dbraw/zinc/46/17/63/547461763.db2.gz ZVTAWAYTXSJABZ-NJYVYQBISA-N 3 1 327.516 3.115 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000310105352 547461765 /nfs/dbraw/zinc/46/17/65/547461765.db2.gz ZVTAWAYTXSJABZ-NJYVYQBISA-N 3 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000310105352 547461767 /nfs/dbraw/zinc/46/17/67/547461767.db2.gz ZVTAWAYTXSJABZ-NJYVYQBISA-N 3 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000310105352 547461770 /nfs/dbraw/zinc/46/17/70/547461770.db2.gz ZVTAWAYTXSJABZ-NJYVYQBISA-N 3 1 327.516 3.115 20 0 EGADMP Fc1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCOCC2)cc1 ZINC000339073987 547568900 /nfs/dbraw/zinc/56/89/00/547568900.db2.gz HOMPOABNAHLMFJ-MOPGFXCFSA-N 2 1 332.463 3.090 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000339239531 547571107 /nfs/dbraw/zinc/57/11/07/547571107.db2.gz ZNVGWJBOSUVBEC-DLBZAZTESA-N 2 1 349.544 3.266 20 0 EGADMP Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000339278993 547574215 /nfs/dbraw/zinc/57/42/15/547574215.db2.gz NSKCZVDBVQLAAN-KRWDZBQOSA-N 2 1 347.503 3.138 20 0 EGADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1scnc1C1CC1 ZINC000342430229 547594900 /nfs/dbraw/zinc/59/49/00/547594900.db2.gz QGSSYLHCEAAXHJ-UHFFFAOYSA-N 2 1 346.500 3.036 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000348100154 547626867 /nfs/dbraw/zinc/62/68/67/547626867.db2.gz FBJKPTSLZAIIML-NHCUHLMSSA-N 2 1 327.516 3.102 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000352802232 547687404 /nfs/dbraw/zinc/68/74/04/547687404.db2.gz UWQJXFMJSPPGSI-UHFFFAOYSA-N 2 1 331.485 3.207 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CCC(C(F)(F)F)CC1 ZINC000354216991 547703712 /nfs/dbraw/zinc/70/37/12/547703712.db2.gz OYUDEKLMPHFORD-NFOMZHRRSA-N 2 1 336.442 3.180 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000398106989 547836656 /nfs/dbraw/zinc/83/66/56/547836656.db2.gz MXLWDQCFMWSHAT-RSRIQPTJSA-N 2 1 327.516 3.160 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CN1Cc1ccccc1 ZINC000398106989 547836659 /nfs/dbraw/zinc/83/66/59/547836659.db2.gz MXLWDQCFMWSHAT-RSRIQPTJSA-N 2 1 327.516 3.160 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OCCC(C)C ZINC000584594099 548097616 /nfs/dbraw/zinc/09/76/16/548097616.db2.gz RXDCNSGVGFNMEJ-ZWKOTPCHSA-N 2 1 332.488 3.161 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OCCC(C)C ZINC000584594099 548097621 /nfs/dbraw/zinc/09/76/21/548097621.db2.gz RXDCNSGVGFNMEJ-ZWKOTPCHSA-N 2 1 332.488 3.161 20 0 EGADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cn(C)cn3)cc2)C1 ZINC000673600142 548580278 /nfs/dbraw/zinc/58/02/78/548580278.db2.gz BYOJMASIQDUOKC-IRXDYDNUSA-N 2 1 326.488 3.188 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(C)c1OC ZINC000673605064 548581295 /nfs/dbraw/zinc/58/12/95/548581295.db2.gz GOMJGBQHNRKANS-KRWDZBQOSA-N 2 1 334.504 3.470 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000673652009 548589959 /nfs/dbraw/zinc/58/99/59/548589959.db2.gz XKKRLAPXQLLFOS-PMACEKPBSA-N 2 1 345.531 3.135 20 0 EGADMP Fc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1Cl ZINC000677320768 549249650 /nfs/dbraw/zinc/24/96/50/549249650.db2.gz MTIRZGUGCAUPLM-OAHLLOKOSA-N 2 1 326.843 3.212 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2cccc(OC)c2)CC1 ZINC000678194800 549422209 /nfs/dbraw/zinc/42/22/09/549422209.db2.gz YJVXTOSYJJGPCM-UHFFFAOYSA-N 2 1 342.487 3.392 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2cccc(OC)c2)CC1 ZINC000678194800 549422211 /nfs/dbraw/zinc/42/22/11/549422211.db2.gz YJVXTOSYJJGPCM-UHFFFAOYSA-N 2 1 342.487 3.392 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccc(OC)c2)C[C@@H]1C ZINC000678276401 549456034 /nfs/dbraw/zinc/45/60/34/549456034.db2.gz HPZXPOUDKCSVFI-MAUKXSAKSA-N 2 1 342.487 3.390 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccc(OC)c2)C[C@@H]1C ZINC000678276401 549456036 /nfs/dbraw/zinc/45/60/36/549456036.db2.gz HPZXPOUDKCSVFI-MAUKXSAKSA-N 2 1 342.487 3.390 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2cccc(OC)c2)C[C@@H]1C ZINC000678276401 549456042 /nfs/dbraw/zinc/45/60/42/549456042.db2.gz HPZXPOUDKCSVFI-MAUKXSAKSA-N 2 1 342.487 3.390 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2cccc(OC)c2)C[C@@H]1C ZINC000678276401 549456044 /nfs/dbraw/zinc/45/60/44/549456044.db2.gz HPZXPOUDKCSVFI-MAUKXSAKSA-N 2 1 342.487 3.390 20 0 EGADMP CCc1nn(C)cc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000678361213 549476311 /nfs/dbraw/zinc/47/63/11/549476311.db2.gz SPXKSBLYUGXCTI-IEBWSBKVSA-N 2 1 340.515 3.373 20 0 EGADMP CC(C)Oc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000678719023 549547780 /nfs/dbraw/zinc/54/77/80/549547780.db2.gz FVNOPJLAQLZZLT-FQEVSTJZSA-N 2 1 345.531 3.074 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000678765901 549555957 /nfs/dbraw/zinc/55/59/57/549555957.db2.gz IQQLDSNGJRPBGX-RXVVDRJESA-N 2 1 329.532 3.317 20 0 EGADMP C[NH+](C)CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679328181 549688842 /nfs/dbraw/zinc/68/88/42/549688842.db2.gz CFPZGDDLWCGGKD-HOTGVXAUSA-N 2 1 341.293 3.211 20 0 EGADMP CC(C)[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000679357741 549695399 /nfs/dbraw/zinc/69/53/99/549695399.db2.gz FIAZHPFIMPJRJS-FQEVSTJZSA-N 2 1 332.488 3.018 20 0 EGADMP CC(C)[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000679357741 549695401 /nfs/dbraw/zinc/69/54/01/549695401.db2.gz FIAZHPFIMPJRJS-FQEVSTJZSA-N 2 1 332.488 3.018 20 0 EGADMP Cc1[nH+]c2ccccc2c(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1C ZINC000680055225 549812793 /nfs/dbraw/zinc/81/27/93/549812793.db2.gz PIKVXBDUBXOMKB-SFHVURJKSA-N 2 1 338.499 3.068 20 0 EGADMP C[C@@H](Cc1ccsc1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681756042 550033359 /nfs/dbraw/zinc/03/33/59/550033359.db2.gz XEZKPQZNVHQKAK-PXNSSMCTSA-N 2 1 344.524 3.248 20 0 EGADMP C[C@@H](Cc1ccsc1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681756042 550033361 /nfs/dbraw/zinc/03/33/61/550033361.db2.gz XEZKPQZNVHQKAK-PXNSSMCTSA-N 2 1 344.524 3.248 20 0 EGADMP C[C@@H](Cc1ccsc1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681756042 550033363 /nfs/dbraw/zinc/03/33/63/550033363.db2.gz XEZKPQZNVHQKAK-PXNSSMCTSA-N 2 1 344.524 3.248 20 0 EGADMP C[C@@H](Cc1ccsc1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681756042 550033365 /nfs/dbraw/zinc/03/33/65/550033365.db2.gz XEZKPQZNVHQKAK-PXNSSMCTSA-N 2 1 344.524 3.248 20 0 EGADMP COc1cc(C)c([C@H](C)[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1C ZINC000682071519 550068118 /nfs/dbraw/zinc/06/81/18/550068118.db2.gz OWCMNJQVAVAXMN-OALUTQOASA-N 2 1 345.531 3.085 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCC(F)(F)CC1 ZINC000682731758 550137593 /nfs/dbraw/zinc/13/75/93/550137593.db2.gz HXAPAIOOIMTXGE-PBHICJAKSA-N 2 1 330.463 3.433 20 0 EGADMP COc1ccnc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1OC ZINC000682756483 550139691 /nfs/dbraw/zinc/13/96/91/550139691.db2.gz RVRZFMSSPMWXPQ-UHFFFAOYSA-N 2 1 347.503 3.187 20 0 EGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+]Cc2ccc3cnccc3c2)c1 ZINC000683764083 550258959 /nfs/dbraw/zinc/25/89/59/550258959.db2.gz XLCRKGHPEMRXOU-UHFFFAOYSA-N 2 1 347.462 3.357 20 0 EGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683929382 550275037 /nfs/dbraw/zinc/27/50/37/550275037.db2.gz KXARYBAYDIASLR-FPOVZHCZSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683929382 550275039 /nfs/dbraw/zinc/27/50/39/550275039.db2.gz KXARYBAYDIASLR-FPOVZHCZSA-N 2 1 349.478 3.141 20 0 EGADMP C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684147929 550296326 /nfs/dbraw/zinc/29/63/26/550296326.db2.gz AQYHMZHJEBTFJZ-AZUAARDMSA-N 2 1 346.515 3.287 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CN[C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000685455674 550418200 /nfs/dbraw/zinc/41/82/00/550418200.db2.gz HSCKSPWALXPVDV-CLAROIROSA-N 2 1 341.543 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000685455674 550418201 /nfs/dbraw/zinc/41/82/01/550418201.db2.gz HSCKSPWALXPVDV-CLAROIROSA-N 2 1 341.543 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000685455674 550418202 /nfs/dbraw/zinc/41/82/02/550418202.db2.gz HSCKSPWALXPVDV-CLAROIROSA-N 2 1 341.543 3.217 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000685455674 550418203 /nfs/dbraw/zinc/41/82/03/550418203.db2.gz HSCKSPWALXPVDV-CLAROIROSA-N 3 1 341.543 3.217 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000685455674 550418204 /nfs/dbraw/zinc/41/82/04/550418204.db2.gz HSCKSPWALXPVDV-CLAROIROSA-N 3 1 341.543 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000685455674 550418205 /nfs/dbraw/zinc/41/82/05/550418205.db2.gz HSCKSPWALXPVDV-CLAROIROSA-N 3 1 341.543 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000685455674 550418206 /nfs/dbraw/zinc/41/82/06/550418206.db2.gz HSCKSPWALXPVDV-CLAROIROSA-N 3 1 341.543 3.217 20 0 EGADMP CC(C)c1ccc(CC[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000685457162 550418787 /nfs/dbraw/zinc/41/87/87/550418787.db2.gz HOKAIWTVZDXBKH-JOCHJYFZSA-N 2 1 343.559 3.453 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000728571322 574759276 /nfs/dbraw/zinc/75/92/76/574759276.db2.gz BJYZTPSVVXYOHF-QGZVFWFLSA-N 2 1 326.431 3.050 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NCCn1cc[nH+]c1C(C)C)c1ccccc1 ZINC000729527420 574868369 /nfs/dbraw/zinc/86/83/69/574868369.db2.gz NJDFTEICEKQRIH-GOSISDBHSA-N 2 1 342.487 3.206 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000731868855 575216658 /nfs/dbraw/zinc/21/66/58/575216658.db2.gz ACICNAXAWFIIQP-FQEVSTJZSA-N 2 1 345.531 3.279 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000731868855 575216660 /nfs/dbraw/zinc/21/66/60/575216660.db2.gz ACICNAXAWFIIQP-FQEVSTJZSA-N 2 1 345.531 3.279 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000731868855 575216662 /nfs/dbraw/zinc/21/66/62/575216662.db2.gz ACICNAXAWFIIQP-FQEVSTJZSA-N 2 1 345.531 3.279 20 0 EGADMP CC(C)Oc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000733330590 575328796 /nfs/dbraw/zinc/32/87/96/575328796.db2.gz CXDXJQFUXGLLEY-FQEVSTJZSA-N 2 1 332.488 3.207 20 0 EGADMP CC(C)C[C@H]1CC(=O)N(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000744430653 576827946 /nfs/dbraw/zinc/82/79/46/576827946.db2.gz GIZJJWGTDOSICL-FQEVSTJZSA-N 2 1 349.563 3.427 20 0 EGADMP CC(C)(C)OC(=O)N(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000305892780 1297064763 /nfs/dbraw/zinc/06/47/63/1297064763.db2.gz OMHMJSJJPJABRI-HZPDHXFCSA-N 2 1 339.524 3.238 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000695193339 1298157789 /nfs/dbraw/zinc/15/77/89/1298157789.db2.gz QWAZOQYJGNQSKU-DOTOQJQBSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@@H+](CCOc1ccc(Br)cc1)CC1CC[NH+](C)CC1 ZINC000063121421 1291999921 /nfs/dbraw/zinc/99/99/21/1291999921.db2.gz LYZZPTDOLCPJPV-UHFFFAOYSA-N 2 1 341.293 3.102 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000067223082 1292154138 /nfs/dbraw/zinc/15/41/38/1292154138.db2.gz RAIZKWLBGPOGKA-CYBMUJFWSA-N 2 1 326.868 3.179 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000067223082 1292154143 /nfs/dbraw/zinc/15/41/43/1292154143.db2.gz RAIZKWLBGPOGKA-CYBMUJFWSA-N 2 1 326.868 3.179 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(F)c(F)c3)c2)CCO1 ZINC000067976692 1292180279 /nfs/dbraw/zinc/18/02/79/1292180279.db2.gz KYXSTPUMVLIWLB-OAHLLOKOSA-N 2 1 346.421 3.475 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(F)c(F)c3)c2)CCO1 ZINC000067976692 1292180284 /nfs/dbraw/zinc/18/02/84/1292180284.db2.gz KYXSTPUMVLIWLB-OAHLLOKOSA-N 2 1 346.421 3.475 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000069752007 1292250914 /nfs/dbraw/zinc/25/09/14/1292250914.db2.gz RGCXOWMSZNCNKO-OAHLLOKOSA-N 2 1 344.478 3.450 20 0 EGADMP CC[NH+](CC)C1CC[NH+](CCC(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000072629582 1292283753 /nfs/dbraw/zinc/28/37/53/1292283753.db2.gz AIVQFQZSSAHTIF-UHFFFAOYSA-N 2 1 335.467 3.269 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000075780959 1292411328 /nfs/dbraw/zinc/41/13/28/1292411328.db2.gz KWVBMPIJWLPCLZ-IBGZPJMESA-N 2 1 338.499 3.122 20 0 EGADMP CO[C@@H](C)C[NH+](C)Cc1cc(Cl)cc(C[N@H+](C)C[C@H](C)OC)c1 ZINC000829767617 1292616745 /nfs/dbraw/zinc/61/67/45/1292616745.db2.gz AEZDYCGEAUMRFQ-GJZGRUSLSA-N 2 1 342.911 3.273 20 0 EGADMP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)n1-c1ccccc1 ZINC000084021880 1292698970 /nfs/dbraw/zinc/69/89/70/1292698970.db2.gz DFSHSBPRNDGTMW-SFHVURJKSA-N 2 1 326.488 3.391 20 0 EGADMP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)n1-c1ccccc1 ZINC000084021880 1292698975 /nfs/dbraw/zinc/69/89/75/1292698975.db2.gz DFSHSBPRNDGTMW-SFHVURJKSA-N 2 1 326.488 3.391 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(OC)ccc2OC)c1 ZINC000105449573 1293037418 /nfs/dbraw/zinc/03/74/18/1293037418.db2.gz GNSYBVXJVGNXQC-UHFFFAOYSA-N 2 1 328.456 3.445 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(OC)cc2OC)c1 ZINC000105449592 1293037906 /nfs/dbraw/zinc/03/79/06/1293037906.db2.gz UFHXMSPWCKHRIJ-UHFFFAOYSA-N 2 1 328.456 3.445 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000126080648 1293524947 /nfs/dbraw/zinc/52/49/47/1293524947.db2.gz JPNBJFUYLZOVAI-IBGZPJMESA-N 2 1 347.503 3.128 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000126080648 1293524950 /nfs/dbraw/zinc/52/49/50/1293524950.db2.gz JPNBJFUYLZOVAI-IBGZPJMESA-N 2 1 347.503 3.128 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000151939538 1293945403 /nfs/dbraw/zinc/94/54/03/1293945403.db2.gz SVPPTTSRNCLDRZ-HNNXBMFYSA-N 2 1 330.451 3.426 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc4cnccn34)cc2)C1 ZINC000156608905 1294150963 /nfs/dbraw/zinc/15/09/63/1294150963.db2.gz FZUMEEHXGWCKNT-QGZVFWFLSA-N 2 1 349.482 3.251 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccnc(Cl)c1 ZINC000160474328 1294269142 /nfs/dbraw/zinc/26/91/42/1294269142.db2.gz NOPXOOZRZCPVEZ-OAHLLOKOSA-N 2 1 345.874 3.418 20 0 EGADMP C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000168512728 1294367489 /nfs/dbraw/zinc/36/74/89/1294367489.db2.gz UYHVGQPFFFMGHO-NBYUQASBSA-N 2 1 343.515 3.015 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870867416 1296121133 /nfs/dbraw/zinc/12/11/33/1296121133.db2.gz LMPVOGAPJABUPS-MBOZVWFJSA-N 2 1 343.515 3.195 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000222995842 1296130693 /nfs/dbraw/zinc/13/06/93/1296130693.db2.gz KWJAQXKNZJTUMV-ARFHVFGLSA-N 2 1 327.513 3.142 20 0 EGADMP Brc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)s1 ZINC000236688910 1296197800 /nfs/dbraw/zinc/19/78/00/1296197800.db2.gz LHCCKPGQWNUZKU-UHFFFAOYSA-N 2 1 329.307 3.475 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000236792476 1296202557 /nfs/dbraw/zinc/20/25/57/1296202557.db2.gz JWZLDLNRDWKKOG-NRFANRHFSA-N 2 1 346.515 3.454 20 0 EGADMP CCOc1c(OC)cc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1OC ZINC000236859076 1296207213 /nfs/dbraw/zinc/20/72/13/1296207213.db2.gz RSDZJOQIGJGGKA-UHFFFAOYSA-N 2 1 336.476 3.065 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)cc1OC ZINC000236846645 1296207552 /nfs/dbraw/zinc/20/75/52/1296207552.db2.gz ZZNZCDOSDAOIIO-ZDUSSCGKSA-N 2 1 326.868 3.179 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1OC ZINC000236846645 1296207561 /nfs/dbraw/zinc/20/75/61/1296207561.db2.gz ZZNZCDOSDAOIIO-ZDUSSCGKSA-N 2 1 326.868 3.179 20 0 EGADMP C[C@@H]1CCC[C@](C[NH2+]C2CCN(CC(F)(F)F)CC2)([NH+](C)C)C1 ZINC000237367932 1296239327 /nfs/dbraw/zinc/23/93/27/1296239327.db2.gz UVMNUIBZLJPXAV-ZBFHGGJFSA-N 2 1 335.458 3.113 20 0 EGADMP Cc1noc(C)c1C[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000237632452 1296253851 /nfs/dbraw/zinc/25/38/51/1296253851.db2.gz QAWSKHOALHBKJP-GASCZTMLSA-N 2 1 343.471 3.190 20 0 EGADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C3CCCCCC3)c2)C1 ZINC000237933467 1296272352 /nfs/dbraw/zinc/27/23/52/1296272352.db2.gz IRQOVZAPFGXVPJ-IBGZPJMESA-N 2 1 343.515 3.196 20 0 EGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000247560746 1296397284 /nfs/dbraw/zinc/39/72/84/1296397284.db2.gz QSYXDZLRZPPECC-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000247560746 1296397294 /nfs/dbraw/zinc/39/72/94/1296397294.db2.gz QSYXDZLRZPPECC-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000247560746 1296397307 /nfs/dbraw/zinc/39/73/07/1296397307.db2.gz QSYXDZLRZPPECC-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](CC)[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)c1ccccc1 ZINC000871795525 1296538165 /nfs/dbraw/zinc/53/81/65/1296538165.db2.gz UDUTWIBSYYVBLP-FBVQUNGASA-N 2 1 340.471 3.499 20 0 EGADMP CC1(C)C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc2S1 ZINC000872029074 1296676845 /nfs/dbraw/zinc/67/68/45/1296676845.db2.gz VNAJPXPCGSVUCJ-QGZVFWFLSA-N 2 1 334.529 3.439 20 0 EGADMP C[N@H+](Cc1ccccc1)C1(C[NH2+]C2CCN(C=O)CC2)CCCCC1 ZINC000872123333 1296748339 /nfs/dbraw/zinc/74/83/39/1296748339.db2.gz ULJRVFMPRSFBAT-UHFFFAOYSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C2CCN(C=O)CC2)CCCCC1 ZINC000872123333 1296748350 /nfs/dbraw/zinc/74/83/50/1296748350.db2.gz ULJRVFMPRSFBAT-UHFFFAOYSA-N 2 1 343.515 3.032 20 0 EGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CC(=O)N2CCCCCC2)C1)C1CCCC1 ZINC000872156597 1296777854 /nfs/dbraw/zinc/77/78/54/1296777854.db2.gz ACOUJQNKHBYYDX-IEBWSBKVSA-N 2 1 335.536 3.009 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000301219356 1296786011 /nfs/dbraw/zinc/78/60/11/1296786011.db2.gz CFDIREJCBYJDQM-IRXDYDNUSA-N 2 1 339.524 3.240 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(Cn3ccc(-c4cccc(F)c4)n3)CC[C@@H]21 ZINC000872592290 1297019370 /nfs/dbraw/zinc/01/93/70/1297019370.db2.gz XLFOMDKAHWJLRX-APWZRJJASA-N 2 1 328.435 3.063 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC[N@@H+]1C ZINC000310065560 1297087965 /nfs/dbraw/zinc/08/79/65/1297087965.db2.gz PUVFTPPKNXEBSH-OWCLPIDISA-N 2 1 339.524 3.094 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC[N@H+]1C ZINC000310065560 1297087977 /nfs/dbraw/zinc/08/79/77/1297087977.db2.gz PUVFTPPKNXEBSH-OWCLPIDISA-N 2 1 339.524 3.094 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc3ncccc23)C1 ZINC000873101657 1297273053 /nfs/dbraw/zinc/27/30/53/1297273053.db2.gz GPZSDAYHENGTDH-HXUWFJFHSA-N 2 1 347.462 3.091 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000345788060 1297338858 /nfs/dbraw/zinc/33/88/58/1297338858.db2.gz CFINRUKTJOSVMQ-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000345788060 1297338869 /nfs/dbraw/zinc/33/88/69/1297338869.db2.gz CFINRUKTJOSVMQ-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000345788060 1297338885 /nfs/dbraw/zinc/33/88/85/1297338885.db2.gz CFINRUKTJOSVMQ-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](c2ccccc2)O1 ZINC000873204002 1297350871 /nfs/dbraw/zinc/35/08/71/1297350871.db2.gz VZCKMPDJXKATET-KSSFIOAISA-N 2 1 328.481 3.356 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](c2ccccc2)O1 ZINC000873204002 1297350882 /nfs/dbraw/zinc/35/08/82/1297350882.db2.gz VZCKMPDJXKATET-KSSFIOAISA-N 2 1 328.481 3.356 20 0 EGADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000873223933 1297363904 /nfs/dbraw/zinc/36/39/04/1297363904.db2.gz VDJUEJASBYLNQN-FQEVSTJZSA-N 2 1 344.478 3.267 20 0 EGADMP CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378878434 1297523961 /nfs/dbraw/zinc/52/39/61/1297523961.db2.gz CSUDIXSQZZOJFJ-BBWFWOEESA-N 2 1 339.524 3.142 20 0 EGADMP CCON1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000379615265 1297536353 /nfs/dbraw/zinc/53/63/53/1297536353.db2.gz AMXOOEOLSLULNR-FXAWDEMLSA-N 2 1 331.504 3.045 20 0 EGADMP CCON1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000379615265 1297536355 /nfs/dbraw/zinc/53/63/55/1297536355.db2.gz AMXOOEOLSLULNR-FXAWDEMLSA-N 2 1 331.504 3.045 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000383313203 1297570832 /nfs/dbraw/zinc/57/08/32/1297570832.db2.gz AJEJRHIQAZTGPQ-IBGZPJMESA-N 2 1 325.456 3.092 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000383313203 1297570839 /nfs/dbraw/zinc/57/08/39/1297570839.db2.gz AJEJRHIQAZTGPQ-IBGZPJMESA-N 2 1 325.456 3.092 20 0 EGADMP CCON1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390515871 1297626543 /nfs/dbraw/zinc/62/65/43/1297626543.db2.gz ALFYMHSMPUWOSW-FQEVSTJZSA-N 2 1 345.531 3.293 20 0 EGADMP CCON1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390515871 1297626551 /nfs/dbraw/zinc/62/65/51/1297626551.db2.gz ALFYMHSMPUWOSW-FQEVSTJZSA-N 2 1 345.531 3.293 20 0 EGADMP CO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C12CCC2 ZINC000453107591 1297890474 /nfs/dbraw/zinc/89/04/74/1297890474.db2.gz LLKGCDWIBOZSBC-HSALFYBXSA-N 2 1 328.500 3.098 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1[nH]nc2ccccc21 ZINC000708557547 1298244258 /nfs/dbraw/zinc/24/42/58/1298244258.db2.gz XPBDORMWLGOKDM-SJLPKXTDSA-N 2 1 334.467 3.421 20 0 EGADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000713058160 1298267048 /nfs/dbraw/zinc/26/70/48/1298267048.db2.gz KQDKGKTYRAWMAG-HKUYNNGSSA-N 2 1 345.531 3.119 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000746639041 1298630522 /nfs/dbraw/zinc/63/05/22/1298630522.db2.gz ZMKAIQZAFOWEBZ-KRWDZBQOSA-N 2 1 348.878 3.044 20 0 EGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000876781136 1298981006 /nfs/dbraw/zinc/98/10/06/1298981006.db2.gz CWLNSMQBLCODJD-HNAYVOBHSA-N 2 1 335.923 3.106 20 0 EGADMP Cc1c(Cl)cccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000876781136 1298981022 /nfs/dbraw/zinc/98/10/22/1298981022.db2.gz CWLNSMQBLCODJD-HNAYVOBHSA-N 2 1 335.923 3.106 20 0 EGADMP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000876949229 1299083180 /nfs/dbraw/zinc/08/31/80/1299083180.db2.gz OZYAFRXECDELDQ-SESVDKBCSA-N 2 1 327.516 3.284 20 0 EGADMP ClC1(Cl)C[C@@H]1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000877007109 1299111381 /nfs/dbraw/zinc/11/13/81/1299111381.db2.gz CZNGNYAWQIRQGJ-JKSUJKDBSA-N 2 1 327.299 3.334 20 0 EGADMP ClC1(Cl)C[C@@H]1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000877007108 1299112058 /nfs/dbraw/zinc/11/20/58/1299112058.db2.gz CZNGNYAWQIRQGJ-HZPDHXFCSA-N 2 1 327.299 3.334 20 0 EGADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000749224758 1299169724 /nfs/dbraw/zinc/16/97/24/1299169724.db2.gz WBUBUKFKFCHBQT-FQEVSTJZSA-N 2 1 343.515 3.114 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877444160 1299302071 /nfs/dbraw/zinc/30/20/71/1299302071.db2.gz JUEFWFDWSQETMT-FUHWJXTLSA-N 2 1 346.519 3.153 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000756105255 1300439503 /nfs/dbraw/zinc/43/95/03/1300439503.db2.gz CXDULRJQRDCDAI-INIZCTEOSA-N 2 1 348.491 3.250 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000756105255 1300439508 /nfs/dbraw/zinc/43/95/08/1300439508.db2.gz CXDULRJQRDCDAI-INIZCTEOSA-N 2 1 348.491 3.250 20 0 EGADMP Cc1cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnc1Cl ZINC000760663950 1301316141 /nfs/dbraw/zinc/31/61/41/1301316141.db2.gz PUANKTSKLGUEAP-GASCZTMLSA-N 2 1 325.884 3.022 20 0 EGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000760873783 1301353961 /nfs/dbraw/zinc/35/39/61/1301353961.db2.gz AWFJUOQWKROMJS-INIZCTEOSA-N 2 1 341.540 3.344 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000760873783 1301353967 /nfs/dbraw/zinc/35/39/67/1301353967.db2.gz AWFJUOQWKROMJS-INIZCTEOSA-N 2 1 341.540 3.344 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000760873783 1301353978 /nfs/dbraw/zinc/35/39/78/1301353978.db2.gz AWFJUOQWKROMJS-INIZCTEOSA-N 2 1 341.540 3.344 20 0 EGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000760873784 1301354775 /nfs/dbraw/zinc/35/47/75/1301354775.db2.gz AWFJUOQWKROMJS-MRXNPFEDSA-N 2 1 341.540 3.344 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000760873784 1301354786 /nfs/dbraw/zinc/35/47/86/1301354786.db2.gz AWFJUOQWKROMJS-MRXNPFEDSA-N 2 1 341.540 3.344 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000760873784 1301354794 /nfs/dbraw/zinc/35/47/94/1301354794.db2.gz AWFJUOQWKROMJS-MRXNPFEDSA-N 2 1 341.540 3.344 20 0 EGADMP O=C1SCCN1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762502829 1301693738 /nfs/dbraw/zinc/69/37/38/1301693738.db2.gz QDIJFPGEWVNWSU-UHFFFAOYSA-N 2 1 345.512 3.101 20 0 EGADMP O=C1SCCN1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762502829 1301693750 /nfs/dbraw/zinc/69/37/50/1301693750.db2.gz QDIJFPGEWVNWSU-UHFFFAOYSA-N 2 1 345.512 3.101 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nccc3ccccc32)[C@H](C)C1 ZINC000765404762 1302261462 /nfs/dbraw/zinc/26/14/62/1302261462.db2.gz MSXCCPYPUVTACW-XLIONFOSSA-N 2 1 341.499 3.461 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nccc3ccccc32)[C@H](C)C1 ZINC000765404762 1302261465 /nfs/dbraw/zinc/26/14/65/1302261465.db2.gz MSXCCPYPUVTACW-XLIONFOSSA-N 2 1 341.499 3.461 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000765973123 1302359989 /nfs/dbraw/zinc/35/99/89/1302359989.db2.gz CQEPWZHSOIOJOB-WWMYMODYSA-N 2 1 346.515 3.420 20 0 EGADMP C[C@H]1CCC[N@@H+]1CCNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000766271830 1302418753 /nfs/dbraw/zinc/41/87/53/1302418753.db2.gz GILXLDCIRYUCCI-INIZCTEOSA-N 2 1 335.923 3.378 20 0 EGADMP C[C@H]1CCC[N@H+]1CCNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000766271830 1302418755 /nfs/dbraw/zinc/41/87/55/1302418755.db2.gz GILXLDCIRYUCCI-INIZCTEOSA-N 2 1 335.923 3.378 20 0 EGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000766332072 1302432119 /nfs/dbraw/zinc/43/21/19/1302432119.db2.gz SNSUBTLFVLOSKK-IKGGRYGDSA-N 2 1 339.524 3.142 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)O3)C2)C1 ZINC000883434243 1302443856 /nfs/dbraw/zinc/44/38/56/1302443856.db2.gz KVSSQTLXEJKLHO-MJCUULBUSA-N 2 1 344.499 3.125 20 0 EGADMP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000767369465 1302652963 /nfs/dbraw/zinc/65/29/63/1302652963.db2.gz FIUFIBHVJGXFRH-DLBZAZTESA-N 2 1 339.524 3.192 20 0 EGADMP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000767369465 1302652971 /nfs/dbraw/zinc/65/29/71/1302652971.db2.gz FIUFIBHVJGXFRH-DLBZAZTESA-N 2 1 339.524 3.192 20 0 EGADMP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000767369465 1302652985 /nfs/dbraw/zinc/65/29/85/1302652985.db2.gz FIUFIBHVJGXFRH-DLBZAZTESA-N 2 1 339.524 3.192 20 0 EGADMP COc1cccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1OC ZINC000768168747 1302842529 /nfs/dbraw/zinc/84/25/29/1302842529.db2.gz MRKPBMLGHYMMDJ-UHFFFAOYSA-N 2 1 328.456 3.397 20 0 EGADMP Cc1c(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)sc2nc(C)nc(C)c12 ZINC000768546316 1302932142 /nfs/dbraw/zinc/93/21/42/1302932142.db2.gz JCBFADOBUDHJIZ-HNNXBMFYSA-N 2 1 332.517 3.390 20 0 EGADMP Cc1c(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)sc2nc(C)nc(C)c12 ZINC000768546316 1302932145 /nfs/dbraw/zinc/93/21/45/1302932145.db2.gz JCBFADOBUDHJIZ-HNNXBMFYSA-N 2 1 332.517 3.390 20 0 EGADMP Cc1c(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)sc2nc(C)nc(C)c12 ZINC000768546316 1302932152 /nfs/dbraw/zinc/93/21/52/1302932152.db2.gz JCBFADOBUDHJIZ-HNNXBMFYSA-N 2 1 332.517 3.390 20 0 EGADMP C[C@@H](C(=O)OCC[NH+](C)Cc1ccc(F)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000769110105 1303049753 /nfs/dbraw/zinc/04/97/53/1303049753.db2.gz VZSBCUIEVLVSRT-XHSDSOJGSA-N 2 1 336.451 3.062 20 0 EGADMP C[C@@H](C(=O)OCC[N@H+](C)Cc1ccc(F)cc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000769110105 1303049759 /nfs/dbraw/zinc/04/97/59/1303049759.db2.gz VZSBCUIEVLVSRT-XHSDSOJGSA-N 2 1 336.451 3.062 20 0 EGADMP C[C@@H](C(=O)OCC[N@@H+](C)Cc1ccc(F)cc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000769110105 1303049764 /nfs/dbraw/zinc/04/97/64/1303049764.db2.gz VZSBCUIEVLVSRT-XHSDSOJGSA-N 2 1 336.451 3.062 20 0 EGADMP CC[C@H](C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000769685194 1303157695 /nfs/dbraw/zinc/15/76/95/1303157695.db2.gz RCRYIROVIMKAAN-BZUAXINKSA-N 2 1 327.513 3.142 20 0 EGADMP C[C@@H]1CC[C@H](C[N@@H+](C)[C@@H]2CC[C@@H]([NH+](C)C[C@@H]3CC[C@@H](C)O3)CC2)O1 ZINC000886389714 1303453964 /nfs/dbraw/zinc/45/39/64/1303453964.db2.gz VHVVLQMMCSNVTB-PJBUMPDVSA-N 2 1 338.536 3.296 20 0 EGADMP C[C@@H]1CC[C@H](C[NH+](C)[C@@H]2CC[C@@H]([N@H+](C)C[C@@H]3CC[C@@H](C)O3)CC2)O1 ZINC000886389714 1303453966 /nfs/dbraw/zinc/45/39/66/1303453966.db2.gz VHVVLQMMCSNVTB-PJBUMPDVSA-N 2 1 338.536 3.296 20 0 EGADMP C[C@@H]1CC[C@H](C[NH+](C)[C@@H]2CC[C@@H]([N@@H+](C)C[C@@H]3CC[C@@H](C)O3)CC2)O1 ZINC000886389714 1303453971 /nfs/dbraw/zinc/45/39/71/1303453971.db2.gz VHVVLQMMCSNVTB-PJBUMPDVSA-N 2 1 338.536 3.296 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000886869690 1303621632 /nfs/dbraw/zinc/62/16/32/1303621632.db2.gz FOONPBQNQPTAER-SFHVURJKSA-N 2 1 335.879 3.134 20 0 EGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000887134994 1303686505 /nfs/dbraw/zinc/68/65/05/1303686505.db2.gz UCYAJNFQBJQONM-CYBMUJFWSA-N 2 1 336.361 3.206 20 0 EGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000887134994 1303686508 /nfs/dbraw/zinc/68/65/08/1303686508.db2.gz UCYAJNFQBJQONM-CYBMUJFWSA-N 2 1 336.361 3.206 20 0 EGADMP COc1ccccc1[C@H](NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000774408099 1303806036 /nfs/dbraw/zinc/80/60/36/1303806036.db2.gz FAEKIFLFAHNHIR-BBTUJRGHSA-N 2 1 344.499 3.379 20 0 EGADMP COc1ccccc1[C@H](NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000774408099 1303806041 /nfs/dbraw/zinc/80/60/41/1303806041.db2.gz FAEKIFLFAHNHIR-BBTUJRGHSA-N 2 1 344.499 3.379 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(F)cc2Cl)C[C@H]1C ZINC000774637845 1303838966 /nfs/dbraw/zinc/83/89/66/1303838966.db2.gz STBMCYJAVWTOGN-HACGYAERSA-N 2 1 328.859 3.317 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(F)cc2Cl)C[C@H]1C ZINC000774637845 1303838974 /nfs/dbraw/zinc/83/89/74/1303838974.db2.gz STBMCYJAVWTOGN-HACGYAERSA-N 2 1 328.859 3.317 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc(F)cc2Cl)C[C@H]1C ZINC000774637845 1303838982 /nfs/dbraw/zinc/83/89/82/1303838982.db2.gz STBMCYJAVWTOGN-HACGYAERSA-N 2 1 328.859 3.317 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc(F)cc2Cl)C[C@H]1C ZINC000774637845 1303838987 /nfs/dbraw/zinc/83/89/87/1303838987.db2.gz STBMCYJAVWTOGN-HACGYAERSA-N 2 1 328.859 3.317 20 0 EGADMP CC(C)COc1ccc(C(C)(C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000775394010 1303954820 /nfs/dbraw/zinc/95/48/20/1303954820.db2.gz ODTCIKBDOLZALS-GOSISDBHSA-N 2 1 334.504 3.003 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H](O)c1c(F)cccc1Cl ZINC000775411689 1303960645 /nfs/dbraw/zinc/96/06/45/1303960645.db2.gz HBYXSELEDXAUQB-XIKOKIGWSA-N 2 1 340.870 3.365 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@@H](C)[C@H](O)c2c(F)cccc2Cl)CC1 ZINC000775413033 1303961001 /nfs/dbraw/zinc/96/10/01/1303961001.db2.gz UTMJTAUWTKSCSE-SJCJKPOMSA-N 2 1 328.859 3.365 20 0 EGADMP C[C@H]1C[C@@H](Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000777598220 1304323226 /nfs/dbraw/zinc/32/32/26/1304323226.db2.gz MIZPOSNBWGYSSQ-HKUYNNGSSA-N 2 1 331.504 3.446 20 0 EGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000781921368 1304890930 /nfs/dbraw/zinc/89/09/30/1304890930.db2.gz CGJNBPPDKNFINK-IRLDBZIGSA-N 2 1 336.479 3.339 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CC(C)(C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000782188793 1304928201 /nfs/dbraw/zinc/92/82/01/1304928201.db2.gz PYRCRIARHIPBED-CVEARBPZSA-N 2 1 341.540 3.342 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000782188793 1304928206 /nfs/dbraw/zinc/92/82/06/1304928206.db2.gz PYRCRIARHIPBED-CVEARBPZSA-N 2 1 341.540 3.342 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000782188793 1304928208 /nfs/dbraw/zinc/92/82/08/1304928208.db2.gz PYRCRIARHIPBED-CVEARBPZSA-N 2 1 341.540 3.342 20 0 EGADMP c1ccc(OCCCCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000783627738 1305119965 /nfs/dbraw/zinc/11/99/65/1305119965.db2.gz ICEUNZUBBDVXRS-NRFANRHFSA-N 2 1 346.515 3.469 20 0 EGADMP CCn1cc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)nn1 ZINC000892598980 1305460690 /nfs/dbraw/zinc/46/06/90/1305460690.db2.gz FKBVCDOUYZYEAC-IAGOWNOFSA-N 2 1 341.503 3.066 20 0 EGADMP CCc1onc(C)c1CNCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000892677345 1305502016 /nfs/dbraw/zinc/50/20/16/1305502016.db2.gz ZVBINCXGKILQOL-OAHLLOKOSA-N 2 1 343.471 3.056 20 0 EGADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(C2CC2)n1 ZINC000892737922 1305529748 /nfs/dbraw/zinc/52/97/48/1305529748.db2.gz OWJKPSLXTIXFDX-HNNXBMFYSA-N 2 1 344.528 3.361 20 0 EGADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(C2CC2)n1 ZINC000892737922 1305529753 /nfs/dbraw/zinc/52/97/53/1305529753.db2.gz OWJKPSLXTIXFDX-HNNXBMFYSA-N 2 1 344.528 3.361 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000787302650 1305729841 /nfs/dbraw/zinc/72/98/41/1305729841.db2.gz JPAAHOHJCNTEIR-JBACZVJFSA-N 2 1 348.531 3.063 20 0 EGADMP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000894180370 1306265478 /nfs/dbraw/zinc/26/54/78/1306265478.db2.gz CDDLPFFUBXSHFU-LBPRGKRZSA-N 2 1 334.851 3.382 20 0 EGADMP Cc1ccc([C@H](O)CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000791622008 1309034596 /nfs/dbraw/zinc/03/45/96/1309034596.db2.gz NWYSOOPYLZDGJF-BHIFYINESA-N 2 1 336.479 3.092 20 0 EGADMP Cc1ccc([C@H](O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000791622008 1309034604 /nfs/dbraw/zinc/03/46/04/1309034604.db2.gz NWYSOOPYLZDGJF-BHIFYINESA-N 2 1 336.479 3.092 20 0 EGADMP Cc1ccc([C@H](O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000791622008 1309034611 /nfs/dbraw/zinc/03/46/11/1309034611.db2.gz NWYSOOPYLZDGJF-BHIFYINESA-N 2 1 336.479 3.092 20 0 EGADMP ClC1(Cl)C[C@@H]1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000791625781 1309036256 /nfs/dbraw/zinc/03/62/56/1309036256.db2.gz VOTZFCJGRPFOCQ-OWCLPIDISA-N 2 1 325.283 3.244 20 0 EGADMP ClC1(Cl)C[C@@H]1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000791625781 1309036268 /nfs/dbraw/zinc/03/62/68/1309036268.db2.gz VOTZFCJGRPFOCQ-OWCLPIDISA-N 2 1 325.283 3.244 20 0 EGADMP ClC1(Cl)C[C@@H]1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791625781 1309036283 /nfs/dbraw/zinc/03/62/83/1309036283.db2.gz VOTZFCJGRPFOCQ-OWCLPIDISA-N 2 1 325.283 3.244 20 0 EGADMP ClC1(Cl)C[C@@H]1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791625781 1309036294 /nfs/dbraw/zinc/03/62/94/1309036294.db2.gz VOTZFCJGRPFOCQ-OWCLPIDISA-N 2 1 325.283 3.244 20 0 EGADMP Cc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c(-c2ccnn2C)c1 ZINC000895669672 1309457062 /nfs/dbraw/zinc/45/70/62/1309457062.db2.gz ANJIFJXXPVJQOP-UHFFFAOYSA-N 2 1 338.499 3.456 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+]2C(C)(C)C)[C@@H]1c1cccs1 ZINC000896642936 1309951758 /nfs/dbraw/zinc/95/17/58/1309951758.db2.gz FMYRBDNFRSIKGQ-HLLBOEOZSA-N 2 1 349.544 3.120 20 0 EGADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)[C@@H]1c1cccs1 ZINC000896642936 1309951765 /nfs/dbraw/zinc/95/17/65/1309951765.db2.gz FMYRBDNFRSIKGQ-HLLBOEOZSA-N 2 1 349.544 3.120 20 0 EGADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)[C@@H]1c1cccs1 ZINC000896642936 1309951771 /nfs/dbraw/zinc/95/17/71/1309951771.db2.gz FMYRBDNFRSIKGQ-HLLBOEOZSA-N 2 1 349.544 3.120 20 0 EGADMP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178855 1310500192 /nfs/dbraw/zinc/50/01/92/1310500192.db2.gz NNPGWKCMFGWKKO-GOSISDBHSA-N 2 1 347.547 3.189 20 0 EGADMP FC1(F)CCC(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000898032355 1310556090 /nfs/dbraw/zinc/55/60/90/1310556090.db2.gz OCVZLAJXJSWBBZ-KRWDZBQOSA-N 2 1 330.463 3.435 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC000962370477 1319937374 /nfs/dbraw/zinc/93/73/74/1319937374.db2.gz UBLZDRIDJVWUGU-UHFFFAOYSA-N 2 1 346.519 3.071 20 0 EGADMP Cc1[nH]c(C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)[nH+]c1C ZINC000899512395 1317065104 /nfs/dbraw/zinc/06/51/04/1317065104.db2.gz YUQLLVDROBEFGW-SFHVURJKSA-N 2 1 344.503 3.140 20 0 EGADMP Cc1[nH]c(C2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)[nH+]c1C ZINC000899512395 1317065110 /nfs/dbraw/zinc/06/51/10/1317065110.db2.gz YUQLLVDROBEFGW-SFHVURJKSA-N 2 1 344.503 3.140 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCC2CCCC2)CC1 ZINC000957286972 1317261311 /nfs/dbraw/zinc/26/13/11/1317261311.db2.gz PWZITVGAONHNBZ-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CC[NH+]2C(C)(C)C)c1 ZINC000900652290 1317319088 /nfs/dbraw/zinc/31/90/88/1317319088.db2.gz LAVRIRCWGDOBTQ-GOSISDBHSA-N 2 1 331.504 3.016 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000900652290 1317319089 /nfs/dbraw/zinc/31/90/89/1317319089.db2.gz LAVRIRCWGDOBTQ-GOSISDBHSA-N 2 1 331.504 3.016 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000900652290 1317319103 /nfs/dbraw/zinc/31/91/03/1317319103.db2.gz LAVRIRCWGDOBTQ-GOSISDBHSA-N 2 1 331.504 3.016 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C1CN([C@H](C)c2ccccc2)C1 ZINC000957420111 1317346769 /nfs/dbraw/zinc/34/67/69/1317346769.db2.gz FTBIUEPCKQOBEF-XLIONFOSSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000957605730 1317492853 /nfs/dbraw/zinc/49/28/53/1317492853.db2.gz LAVZXYSXRUKHQA-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000957605729 1317492929 /nfs/dbraw/zinc/49/29/29/1317492929.db2.gz LAVZXYSXRUKHQA-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1Cc2ccccc2C1=O ZINC000902111170 1317524326 /nfs/dbraw/zinc/52/43/26/1317524326.db2.gz XVCXTIGHKMBLSV-UHFFFAOYSA-N 2 1 337.467 3.184 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1Cc2ccccc2C1=O ZINC000902111170 1317524334 /nfs/dbraw/zinc/52/43/34/1317524334.db2.gz XVCXTIGHKMBLSV-UHFFFAOYSA-N 2 1 337.467 3.184 20 0 EGADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466833 1317581595 /nfs/dbraw/zinc/58/15/95/1317581595.db2.gz NJWKXEONUHTDSM-QBXIECCESA-N 2 1 327.241 3.002 20 0 EGADMP CC[N@@H+](CC1CCC1)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000957711038 1317582830 /nfs/dbraw/zinc/58/28/30/1317582830.db2.gz VODPPRGPIQRUST-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC1CCC1)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000957711038 1317582833 /nfs/dbraw/zinc/58/28/33/1317582833.db2.gz VODPPRGPIQRUST-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC1CCC1)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000957711038 1317582837 /nfs/dbraw/zinc/58/28/37/1317582837.db2.gz VODPPRGPIQRUST-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1)c1cn(C)nn1 ZINC000902758819 1317614010 /nfs/dbraw/zinc/61/40/10/1317614010.db2.gz IRJRGZOVGUGJHX-MRXNPFEDSA-N 2 1 341.503 3.430 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)c1cn(C)nn1 ZINC000902758819 1317614013 /nfs/dbraw/zinc/61/40/13/1317614013.db2.gz IRJRGZOVGUGJHX-MRXNPFEDSA-N 2 1 341.503 3.430 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1cn(C)nn1 ZINC000902779085 1317615744 /nfs/dbraw/zinc/61/57/44/1317615744.db2.gz MQHYKGZFTHGDQM-MRXNPFEDSA-N 2 1 327.476 3.042 20 0 EGADMP CC(C)c1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001020302848 1317635394 /nfs/dbraw/zinc/63/53/94/1317635394.db2.gz UZUSYLLAHMYTIG-QWFCFKBJSA-N 2 1 343.515 3.031 20 0 EGADMP CC(=O)OCc1cccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000903091307 1317650312 /nfs/dbraw/zinc/65/03/12/1317650312.db2.gz RDMMVXRVLGKQPI-CABCVRRESA-N 2 1 329.444 3.242 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C2 ZINC000903118440 1317657252 /nfs/dbraw/zinc/65/72/52/1317657252.db2.gz OWELPJNXNCWRCH-LRMKFPBYSA-N 2 1 336.907 3.470 20 0 EGADMP COc1ccc([C@H](C[NH+](C)C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903165694 1317666723 /nfs/dbraw/zinc/66/67/23/1317666723.db2.gz NQPAKZKKPKXZOT-VZKPYBMVSA-N 2 1 343.515 3.045 20 0 EGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)C1 ZINC000903435711 1317699585 /nfs/dbraw/zinc/69/95/85/1317699585.db2.gz WRKOGFAUWLRNHD-JLJPHGGASA-N 2 1 344.434 3.183 20 0 EGADMP COCCCC[N@H+](Cc1ccccc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725700 1317725999 /nfs/dbraw/zinc/72/59/99/1317725999.db2.gz FTGQGVRVNWBNNX-HXUWFJFHSA-N 2 1 346.515 3.074 20 0 EGADMP C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734051 1317727694 /nfs/dbraw/zinc/72/76/94/1317727694.db2.gz UGWYACTVTMGRMO-DZGCQCFKSA-N 2 1 336.426 3.043 20 0 EGADMP C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734051 1317727700 /nfs/dbraw/zinc/72/77/00/1317727700.db2.gz UGWYACTVTMGRMO-DZGCQCFKSA-N 2 1 336.426 3.043 20 0 EGADMP FC(F)(F)[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)O1 ZINC000903769195 1317730396 /nfs/dbraw/zinc/73/03/96/1317730396.db2.gz ZMNJLAPXTGXFRK-JYJNAYRXSA-N 2 1 334.426 3.198 20 0 EGADMP [NH3+]CC1([C@@H]2CCCC[N@@H+]2C[C@@H](O)c2ccc(F)cc2Cl)CCC1 ZINC000903810371 1317736362 /nfs/dbraw/zinc/73/63/62/1317736362.db2.gz BSLBECTWELWCEB-SJORKVTESA-N 2 1 340.870 3.496 20 0 EGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@@H](O)c2ccc(F)cc2Cl)CCC1 ZINC000903810371 1317736367 /nfs/dbraw/zinc/73/63/67/1317736367.db2.gz BSLBECTWELWCEB-SJORKVTESA-N 2 1 340.870 3.496 20 0 EGADMP Cc1ccccc1CN1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903880885 1317740165 /nfs/dbraw/zinc/74/01/65/1317740165.db2.gz WRTJLMSSVBIKAD-VCSGRIEYSA-N 2 1 327.516 3.033 20 0 EGADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)cnn1C ZINC000903880925 1317740566 /nfs/dbraw/zinc/74/05/66/1317740566.db2.gz XKNPQLFOGATSSS-INIZCTEOSA-N 2 1 346.906 3.164 20 0 EGADMP CCC[N@@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)[C@H]1CCc2ccccc21 ZINC000903883951 1317740614 /nfs/dbraw/zinc/74/06/14/1317740614.db2.gz MVWCQPNVRJFFRV-UWJYYQICSA-N 2 1 340.515 3.245 20 0 EGADMP Fc1ccc([C@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1Cl ZINC000903891115 1317743471 /nfs/dbraw/zinc/74/34/71/1317743471.db2.gz JXTRKEMEBKGHQS-SDJXIENJSA-N 2 1 338.854 3.383 20 0 EGADMP Fc1ccc([C@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1Cl ZINC000903891115 1317743473 /nfs/dbraw/zinc/74/34/73/1317743473.db2.gz JXTRKEMEBKGHQS-SDJXIENJSA-N 2 1 338.854 3.383 20 0 EGADMP Cc1ccc([C@H]2CCCC[N@@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903892882 1317743606 /nfs/dbraw/zinc/74/36/06/1317743606.db2.gz ODWROGKZFIRIJP-UYAOXDASSA-N 2 1 339.487 3.238 20 0 EGADMP Cc1ccc([C@H]2CCCC[N@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903892882 1317743614 /nfs/dbraw/zinc/74/36/14/1317743614.db2.gz ODWROGKZFIRIJP-UYAOXDASSA-N 2 1 339.487 3.238 20 0 EGADMP c1c(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)sc2c1C[NH2+]CC2 ZINC000903947568 1317753092 /nfs/dbraw/zinc/75/30/92/1317753092.db2.gz AZBFHSXBENQANA-INIZCTEOSA-N 2 1 334.529 3.423 20 0 EGADMP C[C@H](O)c1ncc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000809605527 1317841868 /nfs/dbraw/zinc/84/18/68/1317841868.db2.gz DHDKWJKALMECDG-ZNMIVQPWSA-N 2 1 325.522 3.044 20 0 EGADMP Cc1csc(C[C@H]2CC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC000904432648 1317845617 /nfs/dbraw/zinc/84/56/17/1317845617.db2.gz DOOSGTWKVVZOQX-CYBMUJFWSA-N 2 1 333.526 3.223 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000809654065 1317856665 /nfs/dbraw/zinc/85/66/65/1317856665.db2.gz QIUKJNSKHAYLHT-INIZCTEOSA-N 2 1 341.540 3.438 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000809654065 1317856671 /nfs/dbraw/zinc/85/66/71/1317856671.db2.gz QIUKJNSKHAYLHT-INIZCTEOSA-N 2 1 341.540 3.438 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001020719776 1317885781 /nfs/dbraw/zinc/88/57/81/1317885781.db2.gz QLXDISYNNBNROU-UAFMIMERSA-N 2 1 347.547 3.211 20 0 EGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000810244474 1317985741 /nfs/dbraw/zinc/98/57/41/1317985741.db2.gz DWAUAXLWUXNAQP-SJORKVTESA-N 2 1 341.540 3.486 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000810244474 1317985745 /nfs/dbraw/zinc/98/57/45/1317985745.db2.gz DWAUAXLWUXNAQP-SJORKVTESA-N 2 1 341.540 3.486 20 0 EGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000810259608 1317988728 /nfs/dbraw/zinc/98/87/28/1317988728.db2.gz NFUSBTUZVPYKRN-SJORKVTESA-N 2 1 341.540 3.486 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000810259608 1317988733 /nfs/dbraw/zinc/98/87/33/1317988733.db2.gz NFUSBTUZVPYKRN-SJORKVTESA-N 2 1 341.540 3.486 20 0 EGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000810263367 1317988802 /nfs/dbraw/zinc/98/88/02/1317988802.db2.gz NFUSBTUZVPYKRN-IRXDYDNUSA-N 2 1 341.540 3.486 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000810263367 1317988811 /nfs/dbraw/zinc/98/88/11/1317988811.db2.gz NFUSBTUZVPYKRN-IRXDYDNUSA-N 2 1 341.540 3.486 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001021096305 1318079620 /nfs/dbraw/zinc/07/96/20/1318079620.db2.gz MWUKZBUASYZWBS-UFYCRDLUSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCCC2)CC[N@H+]1C ZINC001021360073 1318209796 /nfs/dbraw/zinc/20/97/96/1318209796.db2.gz GYIGZZWNZIPGMX-VJAOCGABSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCCC2)CC[NH+]1C ZINC001021360073 1318209805 /nfs/dbraw/zinc/20/98/05/1318209805.db2.gz GYIGZZWNZIPGMX-VJAOCGABSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCC2)CC[NH+]1C ZINC001021360073 1318209811 /nfs/dbraw/zinc/20/98/11/1318209811.db2.gz GYIGZZWNZIPGMX-VJAOCGABSA-N 2 1 347.547 3.019 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001021470009 1318269457 /nfs/dbraw/zinc/26/94/57/1318269457.db2.gz QZCJEELTMQCUHB-XVLXNVKGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001021470009 1318269464 /nfs/dbraw/zinc/26/94/64/1318269464.db2.gz QZCJEELTMQCUHB-XVLXNVKGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001021470009 1318269470 /nfs/dbraw/zinc/26/94/70/1318269470.db2.gz QZCJEELTMQCUHB-XVLXNVKGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CC(C)(C)C2)CC[N@H+]1C ZINC000960009290 1318311563 /nfs/dbraw/zinc/31/15/63/1318311563.db2.gz YXRCALPULRQQFD-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000960098972 1318354396 /nfs/dbraw/zinc/35/43/96/1318354396.db2.gz ZUHCALIXPUSSCP-HOJAQTOUSA-N 2 1 343.515 3.203 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC1CCC2(CC1)CC[NH+](C)CC2)c1ccccc1 ZINC000908497473 1318354526 /nfs/dbraw/zinc/35/45/26/1318354526.db2.gz CWELOTCWPLZJHK-LJQANCHMSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000960311355 1318454275 /nfs/dbraw/zinc/45/42/75/1318454275.db2.gz VWLSJORFRBHWAH-HSALFYBXSA-N 2 1 343.515 3.031 20 0 EGADMP C[C@H](C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21)C[NH+](C)C ZINC000813878379 1318648069 /nfs/dbraw/zinc/64/80/69/1318648069.db2.gz NUMLFEZZRXZQGD-ZTFGCOKTSA-N 2 1 347.503 3.485 20 0 EGADMP C[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21)C[NH+](C)C ZINC000813878374 1318648802 /nfs/dbraw/zinc/64/88/02/1318648802.db2.gz NUMLFEZZRXZQGD-FHLIZLRMSA-N 2 1 347.503 3.485 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC000960679224 1318789740 /nfs/dbraw/zinc/78/97/40/1318789740.db2.gz CERVBQSGGQCNTK-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC000960679224 1318789748 /nfs/dbraw/zinc/78/97/48/1318789748.db2.gz CERVBQSGGQCNTK-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC000960679224 1318789755 /nfs/dbraw/zinc/78/97/55/1318789755.db2.gz CERVBQSGGQCNTK-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001022077018 1318792666 /nfs/dbraw/zinc/79/26/66/1318792666.db2.gz HSKFJPXMEQBNMV-YSTOQKLRSA-N 2 1 347.547 3.068 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C)cc1C)[NH+](C)C ZINC000960706488 1318810973 /nfs/dbraw/zinc/81/09/73/1318810973.db2.gz FTXSNRWUJFDQSH-WOJBJXKFSA-N 2 1 345.531 3.066 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(C)cc(C)c1)[NH+](C)C ZINC000960707755 1318813195 /nfs/dbraw/zinc/81/31/95/1318813195.db2.gz IRLIALHOSGOPRW-WOJBJXKFSA-N 2 1 345.531 3.066 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC000960740087 1318843952 /nfs/dbraw/zinc/84/39/52/1318843952.db2.gz RIVBRLXYVIVKHE-IBGZPJMESA-N 2 1 348.450 3.071 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(C)ccc1C)[NH+](C)C ZINC000960868913 1319012932 /nfs/dbraw/zinc/01/29/32/1319012932.db2.gz LYQPVIBYRDPFED-PMACEKPBSA-N 2 1 345.531 3.066 20 0 EGADMP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)c1cccc(Cl)c1 ZINC001022711885 1319078817 /nfs/dbraw/zinc/07/88/17/1319078817.db2.gz FOXZIQOEFMWLOQ-IHETXDGRSA-N 2 1 349.906 3.122 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC000960978218 1319112934 /nfs/dbraw/zinc/11/29/34/1319112934.db2.gz IEZKGKQFXIKXTP-QGZVFWFLSA-N 2 1 344.503 3.111 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1)CC1CCCCCC1 ZINC000960979135 1319113048 /nfs/dbraw/zinc/11/30/48/1319113048.db2.gz OURBHIPKHRNFQT-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1)CC1CCCCCC1 ZINC000960979135 1319113049 /nfs/dbraw/zinc/11/30/49/1319113049.db2.gz OURBHIPKHRNFQT-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1)CC1CCCCCC1 ZINC000960979135 1319113052 /nfs/dbraw/zinc/11/30/52/1319113052.db2.gz OURBHIPKHRNFQT-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001022958662 1319188648 /nfs/dbraw/zinc/18/86/48/1319188648.db2.gz RRMOOANFYWXVBQ-ZCNNSNEGSA-N 2 1 349.563 3.458 20 0 EGADMP CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224783 1319352367 /nfs/dbraw/zinc/35/23/67/1319352367.db2.gz FCFUIQHORBQAKN-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)Oc1cccc([C@H](O)C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000817895346 1319453037 /nfs/dbraw/zinc/45/30/37/1319453037.db2.gz UBUMLXIXPZQQAS-HSALFYBXSA-N 2 1 326.440 3.242 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000817906053 1319456728 /nfs/dbraw/zinc/45/67/28/1319456728.db2.gz SKDRIOJHGNAIIX-AFAVFJNCSA-N 2 1 336.838 3.061 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000817906056 1319456850 /nfs/dbraw/zinc/45/68/50/1319456850.db2.gz SKDRIOJHGNAIIX-ZLIFDBKOSA-N 2 1 336.838 3.061 20 0 EGADMP C[C@](O)(C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000817918880 1319460371 /nfs/dbraw/zinc/46/03/71/1319460371.db2.gz YTRUJLIUVOQFSA-AABGKKOBSA-N 2 1 328.431 3.116 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)c2ccccc21 ZINC000817929446 1319464237 /nfs/dbraw/zinc/46/42/37/1319464237.db2.gz HUYJYTZVEFBGCK-ZACQAIPSSA-N 2 1 347.256 3.217 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001023365127 1319476211 /nfs/dbraw/zinc/47/62/11/1319476211.db2.gz XOSHJQNUUUQCSU-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023365127 1319476215 /nfs/dbraw/zinc/47/62/15/1319476215.db2.gz XOSHJQNUUUQCSU-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001023365127 1319476219 /nfs/dbraw/zinc/47/62/19/1319476219.db2.gz XOSHJQNUUUQCSU-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC)Cc1cc([C@@H](C)N[C@H]2CCC[NH2+]CC2)ccc1OC ZINC000817967998 1319481550 /nfs/dbraw/zinc/48/15/50/1319481550.db2.gz FQBASALRHBFNAL-APWZRJJASA-N 2 1 333.520 3.330 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023396502 1319503717 /nfs/dbraw/zinc/50/37/17/1319503717.db2.gz RTACGTWXTKIVFQ-MRXNPFEDSA-N 2 1 349.544 3.218 20 0 EGADMP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000961376339 1319533241 /nfs/dbraw/zinc/53/32/41/1319533241.db2.gz RYSKHOIABJOEDT-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000961376339 1319533245 /nfs/dbraw/zinc/53/32/45/1319533245.db2.gz RYSKHOIABJOEDT-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000961376339 1319533252 /nfs/dbraw/zinc/53/32/52/1319533252.db2.gz RYSKHOIABJOEDT-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961434298 1319586090 /nfs/dbraw/zinc/58/60/90/1319586090.db2.gz DZWBLHMKPUPODN-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000818965017 1319595808 /nfs/dbraw/zinc/59/58/08/1319595808.db2.gz CBFZNVKHSIKXSL-BLLLJJGKSA-N 2 1 341.377 3.170 20 0 EGADMP O[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000818971656 1319598510 /nfs/dbraw/zinc/59/85/10/1319598510.db2.gz AKLWWOZFLHUHIJ-BDJLRTHQSA-N 2 1 329.271 3.101 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccc2)[C@@H]1c1cccs1 ZINC000819100843 1319635021 /nfs/dbraw/zinc/63/50/21/1319635021.db2.gz JIEHNXQWOJXMEG-ZIFCJYIRSA-N 2 1 330.497 3.454 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccc2)[C@@H]1c1cccs1 ZINC000819100843 1319635029 /nfs/dbraw/zinc/63/50/29/1319635029.db2.gz JIEHNXQWOJXMEG-ZIFCJYIRSA-N 2 1 330.497 3.454 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000819151671 1319649460 /nfs/dbraw/zinc/64/94/60/1319649460.db2.gz DKHOMGKRCVUVOD-GUYCJALGSA-N 2 1 328.859 3.080 20 0 EGADMP O[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1C(F)(F)F ZINC000819355756 1319708221 /nfs/dbraw/zinc/70/82/21/1319708221.db2.gz UQUANOLGEQKKCS-QGZVFWFLSA-N 2 1 342.405 3.345 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023762549 1319907780 /nfs/dbraw/zinc/90/77/80/1319907780.db2.gz ZSHYNJRQSBTEDM-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001023762549 1319907789 /nfs/dbraw/zinc/90/77/89/1319907789.db2.gz ZSHYNJRQSBTEDM-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001023762549 1319907799 /nfs/dbraw/zinc/90/77/99/1319907799.db2.gz ZSHYNJRQSBTEDM-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023762554 1319908275 /nfs/dbraw/zinc/90/82/75/1319908275.db2.gz ZSHYNJRQSBTEDM-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001023762554 1319908279 /nfs/dbraw/zinc/90/82/79/1319908279.db2.gz ZSHYNJRQSBTEDM-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001023762554 1319908284 /nfs/dbraw/zinc/90/82/84/1319908284.db2.gz ZSHYNJRQSBTEDM-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001023761982 1319908436 /nfs/dbraw/zinc/90/84/36/1319908436.db2.gz OHJICSZAJLZWEQ-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001023761982 1319908441 /nfs/dbraw/zinc/90/84/41/1319908441.db2.gz OHJICSZAJLZWEQ-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001023761982 1319908446 /nfs/dbraw/zinc/90/84/46/1319908446.db2.gz OHJICSZAJLZWEQ-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc(N2CCCCC2)n1 ZINC000820808137 1319957732 /nfs/dbraw/zinc/95/77/32/1319957732.db2.gz ZCKVBUSMUWZQFN-CTXDPNEZSA-N 2 1 340.515 3.319 20 0 EGADMP C[C@@H](O)C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000820814109 1319959589 /nfs/dbraw/zinc/95/95/89/1319959589.db2.gz FSVLESCWIKFIQH-JPAXMSFJSA-N 2 1 328.500 3.289 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000822490550 1320087779 /nfs/dbraw/zinc/08/77/79/1320087779.db2.gz WRWOVSKAYAWHRD-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP Clc1cccc2c1C[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000840722046 1321135384 /nfs/dbraw/zinc/13/53/84/1321135384.db2.gz FFEQDPCMWWUVST-MSOLQXFVSA-N 2 1 348.918 3.430 20 0 EGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841032078 1321204488 /nfs/dbraw/zinc/20/44/88/1321204488.db2.gz JMEAVVGTGPNLHS-UTKZUKDTSA-N 2 1 329.532 3.321 20 0 EGADMP Cc1cc(C[NH2+]CC2([NH3+])CCC2)cc(C)c1OCc1ccccn1 ZINC000841049099 1321208923 /nfs/dbraw/zinc/20/89/23/1321208923.db2.gz MNLFDIIHHVAGHW-UHFFFAOYSA-N 2 1 325.456 3.248 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000841762874 1321308663 /nfs/dbraw/zinc/30/86/63/1321308663.db2.gz KHQCDQAGLKDEGR-LEUOFYLZSA-N 2 1 334.529 3.473 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000859213658 1328948349 /nfs/dbraw/zinc/94/83/49/1328948349.db2.gz YNVREUDLWAYNBS-UHFFFAOYSA-N 2 1 347.503 3.047 20 0 EGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000842476382 1321394565 /nfs/dbraw/zinc/39/45/65/1321394565.db2.gz NDYJRWFUEYWGGZ-CQSZACIVSA-N 2 1 332.414 3.448 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC000843052192 1321461985 /nfs/dbraw/zinc/46/19/85/1321461985.db2.gz KICBYVJHFSGLAH-KRWDZBQOSA-N 2 1 328.431 3.446 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC000843052192 1321461989 /nfs/dbraw/zinc/46/19/89/1321461989.db2.gz KICBYVJHFSGLAH-KRWDZBQOSA-N 2 1 328.431 3.446 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843054827 1321462983 /nfs/dbraw/zinc/46/29/83/1321462983.db2.gz JRUKYMAZNKHCIZ-UHFFFAOYSA-N 2 1 325.456 3.459 20 0 EGADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])ccc1OC(=O)CC ZINC000843123485 1321473447 /nfs/dbraw/zinc/47/34/47/1321473447.db2.gz KLOGVFQFHMBYKW-MRXNPFEDSA-N 2 1 334.460 3.104 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1-c1noc([C@H](C)[NH2+]C2CC2)n1 ZINC000843200700 1321486616 /nfs/dbraw/zinc/48/66/16/1321486616.db2.gz QNRRTXFLLZSXHE-AWEZNQCLSA-N 2 1 344.459 3.270 20 0 EGADMP CCCCCCNC(=O)[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000843358798 1321506119 /nfs/dbraw/zinc/50/61/19/1321506119.db2.gz PAHHWGBDFNHAHG-LJQANCHMSA-N 2 1 337.552 3.175 20 0 EGADMP CC[C@H](C)c1ccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000843363551 1321506850 /nfs/dbraw/zinc/50/68/50/1321506850.db2.gz VRBRJWVLEKNWTJ-INIZCTEOSA-N 2 1 329.488 3.214 20 0 EGADMP COc1cc(OC)cc(N2CCC[N@@H+](CCCCCCC[NH3+])CC2)c1 ZINC000844221862 1321579796 /nfs/dbraw/zinc/57/97/96/1321579796.db2.gz WQTYPVJDNCFOSO-UHFFFAOYSA-N 2 1 349.519 3.125 20 0 EGADMP C[C@]1(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1(Cl)Cl ZINC000848553635 1321975428 /nfs/dbraw/zinc/97/54/28/1321975428.db2.gz MFYGTOCSMTVMBM-GJZGRUSLSA-N 2 1 335.319 3.193 20 0 EGADMP COc1ccccc1CNC(=[NH2+])NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000849059578 1322062252 /nfs/dbraw/zinc/06/22/52/1322062252.db2.gz VGFIYGYJKTWTHP-CALCHBBNSA-N 2 1 346.519 3.067 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1ccccc1Cl ZINC000849074979 1322067380 /nfs/dbraw/zinc/06/73/80/1322067380.db2.gz WDDLTFHOVYQFIQ-CQSZACIVSA-N 2 1 336.911 3.216 20 0 EGADMP CN(C)C(=O)c1cccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)c1 ZINC000921509833 1322334317 /nfs/dbraw/zinc/33/43/17/1322334317.db2.gz TZAFPUKIDQMFET-UHFFFAOYSA-N 2 1 339.483 3.000 20 0 EGADMP CN(C)C(=O)c1cccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)c1 ZINC000921509833 1322334323 /nfs/dbraw/zinc/33/43/23/1322334323.db2.gz TZAFPUKIDQMFET-UHFFFAOYSA-N 2 1 339.483 3.000 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000921544107 1322346978 /nfs/dbraw/zinc/34/69/78/1322346978.db2.gz SIWUDKOMLYILOY-HDICACEKSA-N 2 1 345.531 3.236 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(F)F)cc1)C2 ZINC000922387850 1322515488 /nfs/dbraw/zinc/51/54/88/1322515488.db2.gz BQMDFNRXMXEBOH-VXNCWWDNSA-N 2 1 338.442 3.194 20 0 EGADMP Cc1c(Cl)cccc1C[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922391136 1322517561 /nfs/dbraw/zinc/51/75/61/1322517561.db2.gz SUNAKIXDWDUWOM-YRXWBPOGSA-N 2 1 336.907 3.218 20 0 EGADMP CCc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](CC)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922393614 1322517937 /nfs/dbraw/zinc/51/79/37/1322517937.db2.gz MPFHLFJDQUPBTR-MKXGPGLRSA-N 2 1 336.545 3.270 20 0 EGADMP C[C@]1(Cc2cc(Cl)cs2)CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923531386 1322770352 /nfs/dbraw/zinc/77/03/52/1322770352.db2.gz PKGOSINYQCRUSK-GDBMZVCRSA-N 2 1 340.920 3.177 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1)C1CCC1 ZINC001024017529 1323079609 /nfs/dbraw/zinc/07/96/09/1323079609.db2.gz FTIIHSVKOVOZSD-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024024070 1323081687 /nfs/dbraw/zinc/08/16/87/1323081687.db2.gz SLFGCQIYAMZZPH-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2COC(C)(C)O2)CCN1Cc1ccccc1 ZINC000851803916 1323093428 /nfs/dbraw/zinc/09/34/28/1323093428.db2.gz WPNVXHMPNSQXDX-QRQLOZEOSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@H](N(C)C[C@H]2COC(C)(C)O2)CC[N@@H+]1Cc1ccccc1 ZINC000851803916 1323093435 /nfs/dbraw/zinc/09/34/35/1323093435.db2.gz WPNVXHMPNSQXDX-QRQLOZEOSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@H](N(C)C[C@H]2COC(C)(C)O2)CC[N@H+]1Cc1ccccc1 ZINC000851803916 1323093436 /nfs/dbraw/zinc/09/34/36/1323093436.db2.gz WPNVXHMPNSQXDX-QRQLOZEOSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2COC(C)(C)O2)CC[N@@H+]1Cc1ccccc1 ZINC000851803916 1323093444 /nfs/dbraw/zinc/09/34/44/1323093444.db2.gz WPNVXHMPNSQXDX-QRQLOZEOSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2COC(C)(C)O2)CC[N@H+]1Cc1ccccc1 ZINC000851803916 1323093450 /nfs/dbraw/zinc/09/34/50/1323093450.db2.gz WPNVXHMPNSQXDX-QRQLOZEOSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2COC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000851803916 1323093457 /nfs/dbraw/zinc/09/34/57/1323093457.db2.gz WPNVXHMPNSQXDX-QRQLOZEOSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2COC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000851803916 1323093461 /nfs/dbraw/zinc/09/34/61/1323093461.db2.gz WPNVXHMPNSQXDX-QRQLOZEOSA-N 2 1 332.488 3.123 20 0 EGADMP CC1(C)OC[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)O1 ZINC000852017322 1323132782 /nfs/dbraw/zinc/13/27/82/1323132782.db2.gz AZEKBQYMFMHEEN-MSOLQXFVSA-N 2 1 332.488 3.028 20 0 EGADMP CC1(C)OC[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)O1 ZINC000852017322 1323132787 /nfs/dbraw/zinc/13/27/87/1323132787.db2.gz AZEKBQYMFMHEEN-MSOLQXFVSA-N 2 1 332.488 3.028 20 0 EGADMP FC(F)(F)c1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852744488 1323234754 /nfs/dbraw/zinc/23/47/54/1323234754.db2.gz BOCKEUOCANQHHS-CJNGLKHVSA-N 2 1 340.389 3.363 20 0 EGADMP COc1ccc2c(C[N@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])cc(=O)oc2c1 ZINC000852759668 1323239435 /nfs/dbraw/zinc/23/94/35/1323239435.db2.gz SCSWQNSVPBYHMD-RDTXWAMCSA-N 2 1 344.455 3.141 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024278726 1323256640 /nfs/dbraw/zinc/25/66/40/1323256640.db2.gz SGWLWIBJLRXPPY-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC2CCCCCC2)CC[N@H+]1C ZINC001024446933 1323406143 /nfs/dbraw/zinc/40/61/43/1323406143.db2.gz LSAZSRMLANNVFX-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC2CCCCCC2)CC[NH+]1C ZINC001024446933 1323406147 /nfs/dbraw/zinc/40/61/47/1323406147.db2.gz LSAZSRMLANNVFX-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CC2CCCCCC2)CC[NH+]1C ZINC001024446933 1323406151 /nfs/dbraw/zinc/40/61/51/1323406151.db2.gz LSAZSRMLANNVFX-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024469222 1323425524 /nfs/dbraw/zinc/42/55/24/1323425524.db2.gz QHJQIMAVDSJXAT-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC001024469222 1323425529 /nfs/dbraw/zinc/42/55/29/1323425529.db2.gz QHJQIMAVDSJXAT-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccsc1 ZINC001024469222 1323425535 /nfs/dbraw/zinc/42/55/35/1323425535.db2.gz QHJQIMAVDSJXAT-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC2CCCC2)C1 ZINC001024478938 1323431908 /nfs/dbraw/zinc/43/19/08/1323431908.db2.gz VXDHUPJCTUUQNX-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC2CCCC2)C1 ZINC001024478938 1323431914 /nfs/dbraw/zinc/43/19/14/1323431914.db2.gz VXDHUPJCTUUQNX-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CC2CCCC2)C1 ZINC001024478938 1323431919 /nfs/dbraw/zinc/43/19/19/1323431919.db2.gz VXDHUPJCTUUQNX-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024513150 1323464405 /nfs/dbraw/zinc/46/44/05/1323464405.db2.gz NOQYAAKWQMKQTP-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024513150 1323464408 /nfs/dbraw/zinc/46/44/08/1323464408.db2.gz NOQYAAKWQMKQTP-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001024513150 1323464413 /nfs/dbraw/zinc/46/44/13/1323464413.db2.gz NOQYAAKWQMKQTP-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001024513150 1323464417 /nfs/dbraw/zinc/46/44/17/1323464417.db2.gz NOQYAAKWQMKQTP-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(NC[C@@H]1CCCC[N@H+]1CC1CC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024617460 1323545695 /nfs/dbraw/zinc/54/56/95/1323545695.db2.gz GYHJSKJAJUSYNV-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCCC[NH+]1CC1CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617460 1323545702 /nfs/dbraw/zinc/54/57/02/1323545702.db2.gz GYHJSKJAJUSYNV-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCCC[NH+]1CC1CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617460 1323545706 /nfs/dbraw/zinc/54/57/06/1323545706.db2.gz GYHJSKJAJUSYNV-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCC1 ZINC001024693106 1323609591 /nfs/dbraw/zinc/60/95/91/1323609591.db2.gz WJZJQSULNPPPED-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCC1 ZINC001024693106 1323609594 /nfs/dbraw/zinc/60/95/94/1323609594.db2.gz WJZJQSULNPPPED-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCC1 ZINC001024693106 1323609599 /nfs/dbraw/zinc/60/95/99/1323609599.db2.gz WJZJQSULNPPPED-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC2CCC2)cc1 ZINC001024712319 1323618463 /nfs/dbraw/zinc/61/84/63/1323618463.db2.gz UNAYMFPYXRMLFE-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024820157 1323725788 /nfs/dbraw/zinc/72/57/88/1323725788.db2.gz VXRCQRWAVHCZPO-INIZCTEOSA-N 2 1 335.492 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001024979890 1323812228 /nfs/dbraw/zinc/81/22/28/1323812228.db2.gz ZMFFLGBDNPMISJ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001025002867 1323822288 /nfs/dbraw/zinc/82/22/88/1323822288.db2.gz LDROPXSJCACHJY-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025559959 1324407780 /nfs/dbraw/zinc/40/77/80/1324407780.db2.gz YGYIKSDPDIZRRW-YLJYHZDGSA-N 2 1 345.531 3.235 20 0 EGADMP CC(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]12 ZINC001026298531 1324710801 /nfs/dbraw/zinc/71/08/01/1324710801.db2.gz NPWPOVISIRUYDR-NZSAHSFTSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001026506688 1324855209 /nfs/dbraw/zinc/85/52/09/1324855209.db2.gz FURFKGONQRUNBE-FAFZWHIHSA-N 2 1 335.536 3.066 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NC2CCC([NH2+]CC3CCCCC3)CC2)C1 ZINC001026560613 1324896831 /nfs/dbraw/zinc/89/68/31/1324896831.db2.gz YGVREBHISSQJBY-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCC2)CC1 ZINC001026572039 1324904812 /nfs/dbraw/zinc/90/48/12/1324904812.db2.gz ZNXGINGKMSHYJS-ACBHZAAOSA-N 2 1 335.536 3.066 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001026610627 1324931389 /nfs/dbraw/zinc/93/13/89/1324931389.db2.gz PJZRVSPLUANNRQ-MHJFOBGBSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000925115872 1325052227 /nfs/dbraw/zinc/05/22/27/1325052227.db2.gz VENVWXRVVVMHRF-AOIWGVFYSA-N 2 1 343.515 3.297 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026887863 1325063049 /nfs/dbraw/zinc/06/30/49/1325063049.db2.gz WTQVPJYDOFJYDN-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cc[nH]c(=O)c1 ZINC000925219380 1325084151 /nfs/dbraw/zinc/08/41/51/1325084151.db2.gz DHBKECKSGYDQMD-TXPKVOOTSA-N 2 1 325.456 3.348 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cc[nH]c(=O)c1 ZINC000925219380 1325084159 /nfs/dbraw/zinc/08/41/59/1325084159.db2.gz DHBKECKSGYDQMD-TXPKVOOTSA-N 2 1 325.456 3.348 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CC2CCC2)CC1 ZINC000963319755 1325105237 /nfs/dbraw/zinc/10/52/37/1325105237.db2.gz UCRVGCQXNBJMJB-CTWPCTMYSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000963351377 1325144343 /nfs/dbraw/zinc/14/43/43/1325144343.db2.gz HKOUVDKVAXYVDS-SJLPKXTDSA-N 2 1 347.503 3.068 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC001027014411 1325154957 /nfs/dbraw/zinc/15/49/57/1325154957.db2.gz BMWUSJOXWUDFDS-PMACEKPBSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963371254 1325175172 /nfs/dbraw/zinc/17/51/72/1325175172.db2.gz CYEOUUWJLFFQKM-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963371254 1325175179 /nfs/dbraw/zinc/17/51/79/1325175179.db2.gz CYEOUUWJLFFQKM-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP COc1cccc(Oc2ccc(C[NH2+][C@@H]3C[C@@H]([NH3+])C34CCC4)cn2)c1 ZINC000925564612 1325211468 /nfs/dbraw/zinc/21/14/68/1325211468.db2.gz URZCYBOGLLWSDW-QZTJIDSGSA-N 2 1 339.439 3.242 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CN[C@H]1CC[NH2+]C1(C)C ZINC000925622357 1325234125 /nfs/dbraw/zinc/23/41/25/1325234125.db2.gz KOMBJMTWCZQAJG-IBGZPJMESA-N 2 1 327.472 3.142 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1[C@H]3C[C@H]4C[NH2+][C@H]1[C@H]4C3)CCCC2 ZINC000925770253 1325292342 /nfs/dbraw/zinc/29/23/42/1325292342.db2.gz UNXVMIXVZZCCOZ-DCTKKDGYSA-N 2 1 342.483 3.057 20 0 EGADMP CC(C)CC[NH+]1CCC(Nc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000925909783 1325354786 /nfs/dbraw/zinc/35/47/86/1325354786.db2.gz LTJSCZMJHDLEJD-UHFFFAOYSA-N 2 1 345.531 3.441 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000963907640 1325430074 /nfs/dbraw/zinc/43/00/74/1325430074.db2.gz FVUHYCMERFQDLX-QHGAOEGBSA-N 2 1 347.547 3.330 20 0 EGADMP O[C@H]1CC[C@@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000926259836 1325493576 /nfs/dbraw/zinc/49/35/76/1325493576.db2.gz QKOMLESSZABDBE-WNTWWTRPSA-N 2 1 328.500 3.323 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCCC1 ZINC000856885304 1325538996 /nfs/dbraw/zinc/53/89/96/1325538996.db2.gz VPVPHWDIHCKRHC-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@@H+](CCNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)C1CCCC1 ZINC000857117959 1325574040 /nfs/dbraw/zinc/57/40/40/1325574040.db2.gz XXGGGKBMVUACCC-LJQANCHMSA-N 2 1 343.515 3.100 20 0 EGADMP C[NH+](CCNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)C1CCCC1 ZINC000857117959 1325574050 /nfs/dbraw/zinc/57/40/50/1325574050.db2.gz XXGGGKBMVUACCC-LJQANCHMSA-N 2 1 343.515 3.100 20 0 EGADMP C[NH+](CCNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)C1CCCC1 ZINC000857117959 1325574056 /nfs/dbraw/zinc/57/40/56/1325574056.db2.gz XXGGGKBMVUACCC-LJQANCHMSA-N 2 1 343.515 3.100 20 0 EGADMP CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411118 1327635860 /nfs/dbraw/zinc/63/58/60/1327635860.db2.gz MRQQSOBHVRHUHU-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001027411118 1327635872 /nfs/dbraw/zinc/63/58/72/1327635872.db2.gz MRQQSOBHVRHUHU-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001027411118 1327635887 /nfs/dbraw/zinc/63/58/87/1327635887.db2.gz MRQQSOBHVRHUHU-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@H]([N@@H+](C)CCC3CCCCC3)C2)CCC1 ZINC001027440864 1327679498 /nfs/dbraw/zinc/67/94/98/1327679498.db2.gz MTOUVJBIFJVHAR-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000927062061 1327836165 /nfs/dbraw/zinc/83/61/65/1327836165.db2.gz XDNYPJJKEFKGLP-ONSCTEFMSA-N 2 1 344.499 3.169 20 0 EGADMP CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542506 1327844133 /nfs/dbraw/zinc/84/41/33/1327844133.db2.gz MEQSKXLLTUKJMS-RTBURBONSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027542506 1327844141 /nfs/dbraw/zinc/84/41/41/1327844141.db2.gz MEQSKXLLTUKJMS-RTBURBONSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027542506 1327844149 /nfs/dbraw/zinc/84/41/49/1327844149.db2.gz MEQSKXLLTUKJMS-RTBURBONSA-N 2 1 335.536 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027545624 1327850149 /nfs/dbraw/zinc/85/01/49/1327850149.db2.gz CIOSGVVSBGNNMD-GOSISDBHSA-N 2 1 347.503 3.068 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH+](C)CC3=CCCCC3)C2)CC[N@H+]1C ZINC001027547432 1327851739 /nfs/dbraw/zinc/85/17/39/1327851739.db2.gz SABYGFPOJXSDSQ-IHPCNDPISA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([N@H+](C)CC3=CCCCC3)C2)CC[NH+]1C ZINC001027547432 1327851741 /nfs/dbraw/zinc/85/17/41/1327851741.db2.gz SABYGFPOJXSDSQ-IHPCNDPISA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)CC3=CCCCC3)C2)CC[NH+]1C ZINC001027547432 1327851747 /nfs/dbraw/zinc/85/17/47/1327851747.db2.gz SABYGFPOJXSDSQ-IHPCNDPISA-N 2 1 347.547 3.140 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCC2)C1 ZINC001027647249 1328026784 /nfs/dbraw/zinc/02/67/84/1328026784.db2.gz MDRYQMYUWUDIIT-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1 ZINC001027647249 1328026797 /nfs/dbraw/zinc/02/67/97/1328026797.db2.gz MDRYQMYUWUDIIT-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC001027647249 1328026804 /nfs/dbraw/zinc/02/68/04/1328026804.db2.gz MDRYQMYUWUDIIT-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001027918124 1328395222 /nfs/dbraw/zinc/39/52/22/1328395222.db2.gz KHAFZKGSKZIETJ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001027918124 1328395231 /nfs/dbraw/zinc/39/52/31/1328395231.db2.gz KHAFZKGSKZIETJ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCC1 ZINC001027918124 1328395240 /nfs/dbraw/zinc/39/52/40/1328395240.db2.gz KHAFZKGSKZIETJ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001027918259 1328396590 /nfs/dbraw/zinc/39/65/90/1328396590.db2.gz LNNYTUDOQVPVSU-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001027918259 1328396600 /nfs/dbraw/zinc/39/66/00/1328396600.db2.gz LNNYTUDOQVPVSU-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001027918259 1328396607 /nfs/dbraw/zinc/39/66/07/1328396607.db2.gz LNNYTUDOQVPVSU-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027929874 1328408952 /nfs/dbraw/zinc/40/89/52/1328408952.db2.gz KNQMZQHEVMVOKS-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929874 1328408957 /nfs/dbraw/zinc/40/89/57/1328408957.db2.gz KNQMZQHEVMVOKS-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001027929874 1328408961 /nfs/dbraw/zinc/40/89/61/1328408961.db2.gz KNQMZQHEVMVOKS-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027931774 1328409970 /nfs/dbraw/zinc/40/99/70/1328409970.db2.gz KJMHKVMMKCMZHW-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001027931774 1328409974 /nfs/dbraw/zinc/40/99/74/1328409974.db2.gz KJMHKVMMKCMZHW-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001027931774 1328409976 /nfs/dbraw/zinc/40/99/76/1328409976.db2.gz KJMHKVMMKCMZHW-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)Oc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000865457837 1329699938 /nfs/dbraw/zinc/69/99/38/1329699938.db2.gz UGUKVHWSWSOEMD-GOSISDBHSA-N 2 1 334.504 3.190 20 0 EGADMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1C(C)(C)C ZINC000865630991 1329722627 /nfs/dbraw/zinc/72/26/27/1329722627.db2.gz BKMGIQZSBSCRPU-GOSISDBHSA-N 2 1 346.515 3.336 20 0 EGADMP C[C@H](O)c1ncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000865660951 1329726528 /nfs/dbraw/zinc/72/65/28/1329726528.db2.gz UFUGWIMFODJIEZ-VYDXJSESSA-N 2 1 345.512 3.054 20 0 EGADMP C[C@H](O)c1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000865660951 1329726530 /nfs/dbraw/zinc/72/65/30/1329726530.db2.gz UFUGWIMFODJIEZ-VYDXJSESSA-N 2 1 345.512 3.054 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC1(C)C ZINC000940779909 1331190472 /nfs/dbraw/zinc/19/04/72/1331190472.db2.gz HZJJOIKEYZGINA-INIZCTEOSA-N 2 1 349.544 3.050 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CCCC3)CC2(C)C)CC1 ZINC000940993775 1331288160 /nfs/dbraw/zinc/28/81/60/1331288160.db2.gz NMPGYKMGFKROPE-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941093462 1331329589 /nfs/dbraw/zinc/32/95/89/1331329589.db2.gz PZDVRZWYGQYMOW-IBGZPJMESA-N 2 1 345.531 3.235 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCC2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942822494 1332042657 /nfs/dbraw/zinc/04/26/57/1332042657.db2.gz LRDKINLRNXYKDG-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCC2)CC[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942822494 1332042659 /nfs/dbraw/zinc/04/26/59/1332042659.db2.gz LRDKINLRNXYKDG-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCC2)CC[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942822494 1332042661 /nfs/dbraw/zinc/04/26/61/1332042661.db2.gz LRDKINLRNXYKDG-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[N@@H+](CC2CCCCC2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943290419 1332139967 /nfs/dbraw/zinc/13/99/67/1332139967.db2.gz XIURFBGWDSLERC-FXAWDEMLSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943516766 1332192081 /nfs/dbraw/zinc/19/20/81/1332192081.db2.gz MQKFFPVICLVFMF-XLIONFOSSA-N 2 1 345.531 3.235 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623132 1332864356 /nfs/dbraw/zinc/86/43/56/1332864356.db2.gz DMONWZSDIZPENQ-KDURUIRLSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623132 1332864361 /nfs/dbraw/zinc/86/43/61/1332864361.db2.gz DMONWZSDIZPENQ-KDURUIRLSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623132 1332864363 /nfs/dbraw/zinc/86/43/63/1332864363.db2.gz DMONWZSDIZPENQ-KDURUIRLSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1CCC(C)(C)C ZINC000947505393 1333148994 /nfs/dbraw/zinc/14/89/94/1333148994.db2.gz ARMSLUIBOBOJKS-NVXWUHKLSA-N 2 1 342.487 3.353 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)[C@H](C)C1 ZINC000947547290 1333167654 /nfs/dbraw/zinc/16/76/54/1333167654.db2.gz QDGQRNDIFDXAND-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)[C@H](C)C1 ZINC000947547290 1333167657 /nfs/dbraw/zinc/16/76/57/1333167657.db2.gz QDGQRNDIFDXAND-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947569393 1333175223 /nfs/dbraw/zinc/17/52/23/1333175223.db2.gz XFZPFHQPWFXFRI-PKOBYXMFSA-N 2 1 345.531 3.174 20 0 EGADMP CC(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771330 1333256391 /nfs/dbraw/zinc/25/63/91/1333256391.db2.gz JRRFKTSFWFQYCQ-IRXDYDNUSA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771330 1333256392 /nfs/dbraw/zinc/25/63/92/1333256392.db2.gz JRRFKTSFWFQYCQ-IRXDYDNUSA-N 2 1 334.508 3.022 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1CCC1CC1 ZINC000947801349 1333265274 /nfs/dbraw/zinc/26/52/74/1333265274.db2.gz MSNKQAQAXXQGSI-JXFKEZNVSA-N 2 1 343.515 3.131 20 0 EGADMP CCCC[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000948372626 1333498988 /nfs/dbraw/zinc/49/89/88/1333498988.db2.gz GGHHZSPLSWULRA-SFHVURJKSA-N 2 1 337.552 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)[C@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000948439303 1333525834 /nfs/dbraw/zinc/52/58/34/1333525834.db2.gz MHHXEWPYIFIVAI-AZUAARDMSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[C@H]1CCC[NH+](CC2CC2)CC1 ZINC000948439303 1333525836 /nfs/dbraw/zinc/52/58/36/1333525836.db2.gz MHHXEWPYIFIVAI-AZUAARDMSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)[C@H]1CCC[NH+](CC2CC2)CC1 ZINC000948439303 1333525838 /nfs/dbraw/zinc/52/58/38/1333525838.db2.gz MHHXEWPYIFIVAI-AZUAARDMSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473791 1333539299 /nfs/dbraw/zinc/53/92/99/1333539299.db2.gz LELRYXIOXOYFCP-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575519 1333582911 /nfs/dbraw/zinc/58/29/11/1333582911.db2.gz ZPPZHMVXKYJOGF-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948575519 1333582913 /nfs/dbraw/zinc/58/29/13/1333582913.db2.gz ZPPZHMVXKYJOGF-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948575519 1333582915 /nfs/dbraw/zinc/58/29/15/1333582915.db2.gz ZPPZHMVXKYJOGF-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948591482 1333588464 /nfs/dbraw/zinc/58/84/64/1333588464.db2.gz YFITXYRSKYFGCD-SJLPKXTDSA-N 2 1 342.487 3.307 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948674109 1333623687 /nfs/dbraw/zinc/62/36/87/1333623687.db2.gz PLKOQKMSMLNSGT-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CCC[NH+](CCCC3CCC3)CC2)C1 ZINC000948767719 1333670793 /nfs/dbraw/zinc/67/07/93/1333670793.db2.gz ZXXPJVDTWPNOPK-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@H+](CCCC3CCC3)CC2)C1 ZINC000948767719 1333670797 /nfs/dbraw/zinc/67/07/97/1333670797.db2.gz ZXXPJVDTWPNOPK-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@@H+](CCCC3CCC3)CC2)C1 ZINC000948767719 1333670800 /nfs/dbraw/zinc/67/08/00/1333670800.db2.gz ZXXPJVDTWPNOPK-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC000948775516 1333674585 /nfs/dbraw/zinc/67/45/85/1333674585.db2.gz KIOFNDJSODASOV-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC000948775516 1333674588 /nfs/dbraw/zinc/67/45/88/1333674588.db2.gz KIOFNDJSODASOV-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000948775516 1333674591 /nfs/dbraw/zinc/67/45/91/1333674591.db2.gz KIOFNDJSODASOV-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000949807476 1333928520 /nfs/dbraw/zinc/92/85/20/1333928520.db2.gz SRBOWAMMIUMIQQ-AZUAARDMSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000949807476 1333928522 /nfs/dbraw/zinc/92/85/22/1333928522.db2.gz SRBOWAMMIUMIQQ-AZUAARDMSA-N 2 1 343.515 3.014 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1C[NH+](CCC2=CCCCC2)C1 ZINC000950063316 1334005589 /nfs/dbraw/zinc/00/55/89/1334005589.db2.gz HURUHVOJNLGZDZ-FQEVSTJZSA-N 2 1 347.547 3.282 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1C[NH+](CCC2=CCCCC2)C1 ZINC000950063316 1334005595 /nfs/dbraw/zinc/00/55/95/1334005595.db2.gz HURUHVOJNLGZDZ-FQEVSTJZSA-N 2 1 347.547 3.282 20 0 EGADMP C[C@H]1CC[N@@H+](CCCC2CCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968331962 1335892182 /nfs/dbraw/zinc/89/21/82/1335892182.db2.gz SNHARYFBLOFYGU-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CCCC2CCC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000968331962 1335892185 /nfs/dbraw/zinc/89/21/85/1335892185.db2.gz SNHARYFBLOFYGU-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CCCC2CCC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000968331962 1335892187 /nfs/dbraw/zinc/89/21/87/1335892187.db2.gz SNHARYFBLOFYGU-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000968851727 1336067205 /nfs/dbraw/zinc/06/72/05/1336067205.db2.gz XKONFROGQIJTLH-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(NC[C@H]1CCCCC[N@H+]1CC1CCC1)C12CCC[NH+](CCC1)C2 ZINC000968913224 1336086776 /nfs/dbraw/zinc/08/67/76/1336086776.db2.gz DBKWQHILKPCRPA-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000968915302 1336087694 /nfs/dbraw/zinc/08/76/94/1336087694.db2.gz HRTZRNQDPCZUTP-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCC2=CCCCC2)C1 ZINC000969794524 1336247999 /nfs/dbraw/zinc/24/79/99/1336247999.db2.gz WPDRRCHLIRKZBE-YLJYHZDGSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CCCCC2)C1 ZINC000969795272 1336248372 /nfs/dbraw/zinc/24/83/72/1336248372.db2.gz DHLLYIOJRZAZHR-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CCCCC2)C1 ZINC000969795271 1336248717 /nfs/dbraw/zinc/24/87/17/1336248717.db2.gz DHLLYIOJRZAZHR-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001005498940 1336362282 /nfs/dbraw/zinc/36/22/82/1336362282.db2.gz YNWINTJFIZLJJK-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CCCC3CCC3)CC2)CC[N@H+]1C ZINC001005883773 1336415748 /nfs/dbraw/zinc/41/57/48/1336415748.db2.gz GMPSNHZDGORNOM-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC[NH+](CC2CCC(C)CC2)CC1 ZINC001005993395 1336435477 /nfs/dbraw/zinc/43/54/77/1336435477.db2.gz ASEHOXFELSFICU-JLAWEPINSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001006441235 1336506244 /nfs/dbraw/zinc/50/62/44/1336506244.db2.gz CNKWBUQPGHZTER-HDICACEKSA-N 2 1 347.547 3.282 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2cc(Br)ccc2[nH]1 ZINC001205901790 1370904643 /nfs/dbraw/zinc/90/46/43/1370904643.db2.gz GGXQUMHPMGPKQY-VXGBXAGGSA-N 2 1 336.277 3.490 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001007500817 1336658522 /nfs/dbraw/zinc/65/85/22/1336658522.db2.gz VUDAEOGCIAHUHG-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001007500817 1336658524 /nfs/dbraw/zinc/65/85/24/1336658524.db2.gz VUDAEOGCIAHUHG-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001007500817 1336658526 /nfs/dbraw/zinc/65/85/26/1336658526.db2.gz VUDAEOGCIAHUHG-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007499171 1336658613 /nfs/dbraw/zinc/65/86/13/1336658613.db2.gz OLSXSLZVCGPFHR-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007499171 1336658616 /nfs/dbraw/zinc/65/86/16/1336658616.db2.gz OLSXSLZVCGPFHR-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007499171 1336658619 /nfs/dbraw/zinc/65/86/19/1336658619.db2.gz OLSXSLZVCGPFHR-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001007648955 1336683903 /nfs/dbraw/zinc/68/39/03/1336683903.db2.gz VQCDDZKGDPDPJU-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001007648955 1336683904 /nfs/dbraw/zinc/68/39/04/1336683904.db2.gz VQCDDZKGDPDPJU-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001007648955 1336683906 /nfs/dbraw/zinc/68/39/06/1336683906.db2.gz VQCDDZKGDPDPJU-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2c1cccc2Br ZINC001205917456 1370910433 /nfs/dbraw/zinc/91/04/33/1370910433.db2.gz YSMDMBGSWUKZGC-VXGBXAGGSA-N 2 1 336.277 3.490 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001008161512 1336782625 /nfs/dbraw/zinc/78/26/25/1336782625.db2.gz HNMVSXKZRYFJPU-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3CCCCCC3)C2)CC[N@H+]1C ZINC001008299100 1336817968 /nfs/dbraw/zinc/81/79/68/1336817968.db2.gz MGJQEBBKFXQYMM-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001008299100 1336817970 /nfs/dbraw/zinc/81/79/70/1336817970.db2.gz MGJQEBBKFXQYMM-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001008299100 1336817972 /nfs/dbraw/zinc/81/79/72/1336817972.db2.gz MGJQEBBKFXQYMM-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)c(F)c2)CCC[C@@H]1C[NH3+] ZINC001206004395 1370935174 /nfs/dbraw/zinc/93/51/74/1370935174.db2.gz SAQFUASXUZSNSE-DGCLKSJQSA-N 2 1 329.257 3.395 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008401879 1336843070 /nfs/dbraw/zinc/84/30/70/1336843070.db2.gz XSMKNPKBMRGYSB-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001008529702 1336876653 /nfs/dbraw/zinc/87/66/53/1336876653.db2.gz GEWAWAVYWWHZOW-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001008529702 1336876655 /nfs/dbraw/zinc/87/66/55/1336876655.db2.gz GEWAWAVYWWHZOW-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001008529702 1336876657 /nfs/dbraw/zinc/87/66/57/1336876657.db2.gz GEWAWAVYWWHZOW-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008759513 1336920952 /nfs/dbraw/zinc/92/09/52/1336920952.db2.gz DEMBRCQYLUBHPJ-XLIONFOSSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001008771945 1336923976 /nfs/dbraw/zinc/92/39/76/1336923976.db2.gz WOGDQXHFHWOMRX-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001008771945 1336923979 /nfs/dbraw/zinc/92/39/79/1336923979.db2.gz WOGDQXHFHWOMRX-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001008771945 1336923981 /nfs/dbraw/zinc/92/39/81/1336923981.db2.gz WOGDQXHFHWOMRX-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008773080 1336924355 /nfs/dbraw/zinc/92/43/55/1336924355.db2.gz YGTAGJYBGNLOBU-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008773080 1336924358 /nfs/dbraw/zinc/92/43/58/1336924358.db2.gz YGTAGJYBGNLOBU-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001008773080 1336924363 /nfs/dbraw/zinc/92/43/63/1336924363.db2.gz YGTAGJYBGNLOBU-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCC(C)(C)C)C2)cc1 ZINC001008883423 1336937741 /nfs/dbraw/zinc/93/77/41/1336937741.db2.gz QZPDQWQXCZIEIH-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001014399233 1337766915 /nfs/dbraw/zinc/76/69/15/1337766915.db2.gz BQTXJYHUJWSTGF-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001014399233 1337766921 /nfs/dbraw/zinc/76/69/21/1337766921.db2.gz BQTXJYHUJWSTGF-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001014399233 1337766923 /nfs/dbraw/zinc/76/69/23/1337766923.db2.gz BQTXJYHUJWSTGF-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001015791146 1338311397 /nfs/dbraw/zinc/31/13/97/1338311397.db2.gz BDUKRUYGWDGZIR-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001015791146 1338311400 /nfs/dbraw/zinc/31/14/00/1338311400.db2.gz BDUKRUYGWDGZIR-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001015791146 1338311403 /nfs/dbraw/zinc/31/14/03/1338311403.db2.gz BDUKRUYGWDGZIR-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001015930490 1338363525 /nfs/dbraw/zinc/36/35/25/1338363525.db2.gz PFCDBOYNDGPZEN-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001016250648 1338524986 /nfs/dbraw/zinc/52/49/86/1338524986.db2.gz DYONKGXIOBAFGX-FXAWDEMLSA-N 2 1 343.515 3.157 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCCC1CCCC1)CC2 ZINC001016542801 1338639750 /nfs/dbraw/zinc/63/97/50/1338639750.db2.gz LBMITKGXPXUTAV-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC1CCCCC1)CC2 ZINC001016543062 1338640512 /nfs/dbraw/zinc/64/05/12/1338640512.db2.gz LVMMGGQUXWLLGO-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CC[NH+](CCC(C)(C)C)CC3)CC[N@H+]1C ZINC001016631589 1338669483 /nfs/dbraw/zinc/66/94/83/1338669483.db2.gz WABRABYTMWRCMC-KSZLIROESA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016703342 1338696692 /nfs/dbraw/zinc/69/66/92/1338696692.db2.gz XFAYMUXFFIPWIO-RBUKOAKNSA-N 2 1 347.547 3.044 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001016830407 1338739879 /nfs/dbraw/zinc/73/98/79/1338739879.db2.gz SAIACOIHMFAAFF-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001017246056 1338977129 /nfs/dbraw/zinc/97/71/29/1338977129.db2.gz LOQGOIRUJKPLCZ-GHTZIAJQSA-N 2 1 345.531 3.042 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1)[NH+]1CCCCC1 ZINC001017265803 1338991564 /nfs/dbraw/zinc/99/15/64/1338991564.db2.gz DIFONFCPVZNXTG-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001017658610 1339385741 /nfs/dbraw/zinc/38/57/41/1339385741.db2.gz IFURMKBHCUYYCY-VNTMZGSJSA-N 2 1 347.547 3.115 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001017658610 1339385745 /nfs/dbraw/zinc/38/57/45/1339385745.db2.gz IFURMKBHCUYYCY-VNTMZGSJSA-N 2 1 347.547 3.115 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001017658610 1339385749 /nfs/dbraw/zinc/38/57/49/1339385749.db2.gz IFURMKBHCUYYCY-VNTMZGSJSA-N 2 1 347.547 3.115 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176737 1339522606 /nfs/dbraw/zinc/52/26/06/1339522606.db2.gz OQOOWLZFNKGGBT-ZGXWSNOMSA-N 2 1 349.563 3.218 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC2CCC(C)(C)CC2)CC1 ZINC001028118195 1340439259 /nfs/dbraw/zinc/43/92/59/1340439259.db2.gz XFDGVFLNAWFDBN-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCC2)cc1 ZINC001028202776 1340481996 /nfs/dbraw/zinc/48/19/96/1340481996.db2.gz HJKBPDQZYBOEIX-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC001028333509 1340571210 /nfs/dbraw/zinc/57/12/10/1340571210.db2.gz MNLLHUGMBRUXGG-IBGZPJMESA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001028538027 1340693138 /nfs/dbraw/zinc/69/31/38/1340693138.db2.gz XXUFJYSFKQFHGI-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001028538027 1340693144 /nfs/dbraw/zinc/69/31/44/1340693144.db2.gz XXUFJYSFKQFHGI-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001028538027 1340693156 /nfs/dbraw/zinc/69/31/56/1340693156.db2.gz XXUFJYSFKQFHGI-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001028647102 1340742464 /nfs/dbraw/zinc/74/24/64/1340742464.db2.gz FIGJGZQXWWGVEG-UXHICEINSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001028647102 1340742468 /nfs/dbraw/zinc/74/24/68/1340742468.db2.gz FIGJGZQXWWGVEG-UXHICEINSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001028647102 1340742471 /nfs/dbraw/zinc/74/24/71/1340742471.db2.gz FIGJGZQXWWGVEG-UXHICEINSA-N 2 1 347.547 3.045 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845917 1340857226 /nfs/dbraw/zinc/85/72/26/1340857226.db2.gz TXMQKIRCVGLNKA-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845917 1340857229 /nfs/dbraw/zinc/85/72/29/1340857229.db2.gz TXMQKIRCVGLNKA-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845917 1340857232 /nfs/dbraw/zinc/85/72/32/1340857232.db2.gz TXMQKIRCVGLNKA-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001029001816 1340904927 /nfs/dbraw/zinc/90/49/27/1340904927.db2.gz CJKWGUUDQVBKIF-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001029001816 1340904928 /nfs/dbraw/zinc/90/49/28/1340904928.db2.gz CJKWGUUDQVBKIF-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001029001816 1340904929 /nfs/dbraw/zinc/90/49/29/1340904929.db2.gz CJKWGUUDQVBKIF-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1 ZINC001029108192 1340931697 /nfs/dbraw/zinc/93/16/97/1340931697.db2.gz XXLZWLSWZYVDDR-FXAWDEMLSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001029145632 1340942730 /nfs/dbraw/zinc/94/27/30/1340942730.db2.gz BXYCDPSADKSYQU-ROUUACIJSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001029473045 1340998245 /nfs/dbraw/zinc/99/82/45/1340998245.db2.gz BFTIIMIZNSXLAP-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001029473045 1340998247 /nfs/dbraw/zinc/99/82/47/1340998247.db2.gz BFTIIMIZNSXLAP-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC001029473045 1340998248 /nfs/dbraw/zinc/99/82/48/1340998248.db2.gz BFTIIMIZNSXLAP-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029751559 1341063904 /nfs/dbraw/zinc/06/39/04/1341063904.db2.gz XHNKJJFEGLFNEU-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001029751559 1341063905 /nfs/dbraw/zinc/06/39/05/1341063905.db2.gz XHNKJJFEGLFNEU-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001029751559 1341063906 /nfs/dbraw/zinc/06/39/06/1341063906.db2.gz XHNKJJFEGLFNEU-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1)CC1CCCCCC1 ZINC001029767947 1341067283 /nfs/dbraw/zinc/06/72/83/1341067283.db2.gz AZHAJBYMYJCPLQ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)CC1CCCCCC1 ZINC001029767947 1341067285 /nfs/dbraw/zinc/06/72/85/1341067285.db2.gz AZHAJBYMYJCPLQ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)CC1CCCCCC1 ZINC001029767947 1341067287 /nfs/dbraw/zinc/06/72/87/1341067287.db2.gz AZHAJBYMYJCPLQ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1)CC1CCCCCC1 ZINC001029767948 1341067422 /nfs/dbraw/zinc/06/74/22/1341067422.db2.gz AZHAJBYMYJCPLQ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1)CC1CCCCCC1 ZINC001029767948 1341067423 /nfs/dbraw/zinc/06/74/23/1341067423.db2.gz AZHAJBYMYJCPLQ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1)CC1CCCCCC1 ZINC001029767948 1341067424 /nfs/dbraw/zinc/06/74/24/1341067424.db2.gz AZHAJBYMYJCPLQ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029910624 1341113797 /nfs/dbraw/zinc/11/37/97/1341113797.db2.gz STHLVVAOQLRHSY-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029910624 1341113798 /nfs/dbraw/zinc/11/37/98/1341113798.db2.gz STHLVVAOQLRHSY-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029910624 1341113799 /nfs/dbraw/zinc/11/37/99/1341113799.db2.gz STHLVVAOQLRHSY-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001031050868 1341270614 /nfs/dbraw/zinc/27/06/14/1341270614.db2.gz ZVMCHNGBAAJFNM-IBGZPJMESA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001031050868 1341270615 /nfs/dbraw/zinc/27/06/15/1341270615.db2.gz ZVMCHNGBAAJFNM-IBGZPJMESA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)(C)CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031673612 1341386609 /nfs/dbraw/zinc/38/66/09/1341386609.db2.gz QBWXJMCEDWGNJX-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001032043056 1341444952 /nfs/dbraw/zinc/44/49/52/1341444952.db2.gz UDSJPYJUHBZRFZ-UXHICEINSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001032043057 1341445010 /nfs/dbraw/zinc/44/50/10/1341445010.db2.gz UDSJPYJUHBZRFZ-VQTJNVASSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033083063 1341719228 /nfs/dbraw/zinc/71/92/28/1341719228.db2.gz UGRRULSCBVLIKX-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033083063 1341719229 /nfs/dbraw/zinc/71/92/29/1341719229.db2.gz UGRRULSCBVLIKX-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033083063 1341719230 /nfs/dbraw/zinc/71/92/30/1341719230.db2.gz UGRRULSCBVLIKX-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC(CC)CC)C2)C1 ZINC001033353006 1341793413 /nfs/dbraw/zinc/79/34/13/1341793413.db2.gz CHTSOANVYGLIST-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CC(CC)CC)C2)C1 ZINC001033353006 1341793414 /nfs/dbraw/zinc/79/34/14/1341793414.db2.gz CHTSOANVYGLIST-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC(CC)CC)C2)C1 ZINC001033353006 1341793415 /nfs/dbraw/zinc/79/34/15/1341793415.db2.gz CHTSOANVYGLIST-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCC(C)(C)C)C2)C1 ZINC001033355263 1341794993 /nfs/dbraw/zinc/79/49/93/1341794993.db2.gz WTPZSVONPWUPTL-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001033355263 1341794994 /nfs/dbraw/zinc/79/49/94/1341794994.db2.gz WTPZSVONPWUPTL-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001033355263 1341794995 /nfs/dbraw/zinc/79/49/95/1341794995.db2.gz WTPZSVONPWUPTL-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033416997 1341820909 /nfs/dbraw/zinc/82/09/09/1341820909.db2.gz SYWXBKCTLQKCSN-MJGOQNOKSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001033416997 1341820911 /nfs/dbraw/zinc/82/09/11/1341820911.db2.gz SYWXBKCTLQKCSN-MJGOQNOKSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033416997 1341820912 /nfs/dbraw/zinc/82/09/12/1341820912.db2.gz SYWXBKCTLQKCSN-MJGOQNOKSA-N 2 1 343.515 3.012 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033827028 1342028578 /nfs/dbraw/zinc/02/85/78/1342028578.db2.gz YSOZTXBGUAYJJN-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033827028 1342028581 /nfs/dbraw/zinc/02/85/81/1342028581.db2.gz YSOZTXBGUAYJJN-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033827028 1342028585 /nfs/dbraw/zinc/02/85/85/1342028585.db2.gz YSOZTXBGUAYJJN-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033935869 1342099120 /nfs/dbraw/zinc/09/91/20/1342099120.db2.gz JWZQZAYPOTUZAW-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033935869 1342099124 /nfs/dbraw/zinc/09/91/24/1342099124.db2.gz JWZQZAYPOTUZAW-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033935869 1342099131 /nfs/dbraw/zinc/09/91/31/1342099131.db2.gz JWZQZAYPOTUZAW-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)CC1 ZINC001075459151 1356392602 /nfs/dbraw/zinc/39/26/02/1356392602.db2.gz ZUZJZYNLWAZHRP-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC001075459151 1356392604 /nfs/dbraw/zinc/39/26/04/1356392604.db2.gz ZUZJZYNLWAZHRP-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)CC1 ZINC001075459151 1356392607 /nfs/dbraw/zinc/39/26/07/1356392607.db2.gz ZUZJZYNLWAZHRP-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045543 1342186074 /nfs/dbraw/zinc/18/60/74/1342186074.db2.gz KVCMTFMZPIVZFN-XLIONFOSSA-N 2 1 345.531 3.331 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001034211036 1342320813 /nfs/dbraw/zinc/32/08/13/1342320813.db2.gz KRBBRFAFGPYDCX-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CC3CCCCCC3)C2)CC[N@H+]1C ZINC001034215364 1342323064 /nfs/dbraw/zinc/32/30/64/1342323064.db2.gz YIPLBIRCUYFWIG-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001034215364 1342323070 /nfs/dbraw/zinc/32/30/70/1342323070.db2.gz YIPLBIRCUYFWIG-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001034215364 1342323072 /nfs/dbraw/zinc/32/30/72/1342323072.db2.gz YIPLBIRCUYFWIG-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034332481 1342406952 /nfs/dbraw/zinc/40/69/52/1342406952.db2.gz ZNBPKZFIOPGCDK-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001034339520 1342413821 /nfs/dbraw/zinc/41/38/21/1342413821.db2.gz HWEZFKUIGOVVPD-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](CCC3CCCCC3)C2)C1 ZINC001034394294 1342462290 /nfs/dbraw/zinc/46/22/90/1342462290.db2.gz KVXRQTUIVWLHTL-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CCC3CCCCC3)C2)C1 ZINC001034394294 1342462294 /nfs/dbraw/zinc/46/22/94/1342462294.db2.gz KVXRQTUIVWLHTL-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001034394294 1342462297 /nfs/dbraw/zinc/46/22/97/1342462297.db2.gz KVXRQTUIVWLHTL-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034432909 1342494972 /nfs/dbraw/zinc/49/49/72/1342494972.db2.gz AASRUUFAYVBDNC-RBUKOAKNSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034432909 1342494973 /nfs/dbraw/zinc/49/49/73/1342494973.db2.gz AASRUUFAYVBDNC-RBUKOAKNSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034432909 1342494974 /nfs/dbraw/zinc/49/49/74/1342494974.db2.gz AASRUUFAYVBDNC-RBUKOAKNSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034438207 1342499983 /nfs/dbraw/zinc/49/99/83/1342499983.db2.gz LMXHTOSJKIEMIP-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCC2)C1 ZINC001034438207 1342499985 /nfs/dbraw/zinc/49/99/85/1342499985.db2.gz LMXHTOSJKIEMIP-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCC2)C1 ZINC001034438207 1342499987 /nfs/dbraw/zinc/49/99/87/1342499987.db2.gz LMXHTOSJKIEMIP-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](CCC3CC3)C2)cc1 ZINC001034444938 1342504733 /nfs/dbraw/zinc/50/47/33/1342504733.db2.gz NPVMHMVMQKGBMT-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001034460039 1342515876 /nfs/dbraw/zinc/51/58/76/1342515876.db2.gz BOQWMNKPEWIFKA-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001034460040 1342516278 /nfs/dbraw/zinc/51/62/78/1342516278.db2.gz BOQWMNKPEWIFKA-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529067 1342585501 /nfs/dbraw/zinc/58/55/01/1342585501.db2.gz WBKGANJODDWQLN-UXHICEINSA-N 2 1 343.515 3.204 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034537392 1342593271 /nfs/dbraw/zinc/59/32/71/1342593271.db2.gz BCAPJPUYZXUKAS-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001034537392 1342593275 /nfs/dbraw/zinc/59/32/75/1342593275.db2.gz BCAPJPUYZXUKAS-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001034537392 1342593276 /nfs/dbraw/zinc/59/32/76/1342593276.db2.gz BCAPJPUYZXUKAS-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034538136 1342594437 /nfs/dbraw/zinc/59/44/37/1342594437.db2.gz JCMRDWXZCGSEFD-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccsc2)C1 ZINC001034538136 1342594438 /nfs/dbraw/zinc/59/44/38/1342594438.db2.gz JCMRDWXZCGSEFD-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccsc2)C1 ZINC001034538136 1342594440 /nfs/dbraw/zinc/59/44/40/1342594440.db2.gz JCMRDWXZCGSEFD-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034538325 1342596038 /nfs/dbraw/zinc/59/60/38/1342596038.db2.gz LRBLDPFGOWYRQK-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001034538325 1342596040 /nfs/dbraw/zinc/59/60/40/1342596040.db2.gz LRBLDPFGOWYRQK-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001034538325 1342596045 /nfs/dbraw/zinc/59/60/45/1342596045.db2.gz LRBLDPFGOWYRQK-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](C(C)C)C2)o1 ZINC001034544112 1342605146 /nfs/dbraw/zinc/60/51/46/1342605146.db2.gz FFLYHPQHWHOLCJ-MRXNPFEDSA-N 2 1 335.492 3.114 20 0 EGADMP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC001034607115 1342645216 /nfs/dbraw/zinc/64/52/16/1342645216.db2.gz LDRDYKWEUYXEDE-MUGJNUQGSA-N 2 1 343.515 3.249 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001034610408 1342646292 /nfs/dbraw/zinc/64/62/92/1342646292.db2.gz NVFXNDZRDIJRDW-GUDVDZBRSA-N 2 1 335.536 3.068 20 0 EGADMP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001034675099 1342686173 /nfs/dbraw/zinc/68/61/73/1342686173.db2.gz NWYGWMXAQIBUKB-UAFMIMERSA-N 2 1 347.547 3.211 20 0 EGADMP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001034675104 1342686445 /nfs/dbraw/zinc/68/64/45/1342686445.db2.gz NWYGWMXAQIBUKB-WTGUMLROSA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034748377 1342736007 /nfs/dbraw/zinc/73/60/07/1342736007.db2.gz CTSSJZCTPJBFJV-IYARVYRRSA-N 2 1 346.519 3.214 20 0 EGADMP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)cs1 ZINC001034936136 1342843538 /nfs/dbraw/zinc/84/35/38/1342843538.db2.gz KKHVRMOMXROUAT-QZTJIDSGSA-N 2 1 349.544 3.010 20 0 EGADMP CCC[N@H+]1CCC2(C1)CCN(C(=O)c1sccc1C[NH+](C)C)CC2 ZINC001035189640 1343003595 /nfs/dbraw/zinc/00/35/95/1343003595.db2.gz IXQSFUAEARGERM-UHFFFAOYSA-N 2 1 349.544 3.148 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC2(CC[N@@H+](CCC(C)(C)C)C2)CC1)C1CC1 ZINC001035193590 1343007579 /nfs/dbraw/zinc/00/75/79/1343007579.db2.gz HODXLEUFZIUBKR-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CC(=O)N1CCC2(CC[NH+](CCC(C)(C)C)C2)CC1)C1CCC1 ZINC001035194723 1343008341 /nfs/dbraw/zinc/00/83/41/1343008341.db2.gz ZROQBOAAPBEUKR-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC(=O)N1CCC2(CC[N@H+](CCC(C)(C)C)C2)CC1)C1CCC1 ZINC001035194723 1343008343 /nfs/dbraw/zinc/00/83/43/1343008343.db2.gz ZROQBOAAPBEUKR-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC(=O)N1CCC2(CC[N@@H+](CCC(C)(C)C)C2)CC1)C1CCC1 ZINC001035194723 1343008345 /nfs/dbraw/zinc/00/83/45/1343008345.db2.gz ZROQBOAAPBEUKR-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001036418895 1343475395 /nfs/dbraw/zinc/47/53/95/1343475395.db2.gz GVMSYKUUGCVBSW-DLBZAZTESA-N 2 1 337.552 3.265 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036793417 1343725880 /nfs/dbraw/zinc/72/58/80/1343725880.db2.gz DZZBNZLLUUWEDD-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036859087 1343792972 /nfs/dbraw/zinc/79/29/72/1343792972.db2.gz KBNVBFHSEWQDQU-PMACEKPBSA-N 2 1 349.563 3.076 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001037216944 1344049435 /nfs/dbraw/zinc/04/94/35/1344049435.db2.gz SXJBVWDIQHOMHT-MOPGFXCFSA-N 2 1 346.519 3.036 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001038314656 1344376919 /nfs/dbraw/zinc/37/69/19/1344376919.db2.gz MYRRQGUACQMBNU-INIZCTEOSA-N 2 1 349.544 3.050 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001038314656 1344376924 /nfs/dbraw/zinc/37/69/24/1344376924.db2.gz MYRRQGUACQMBNU-INIZCTEOSA-N 2 1 349.544 3.050 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038622697 1344509348 /nfs/dbraw/zinc/50/93/48/1344509348.db2.gz NUVGFNZQDUMBDF-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038622697 1344509350 /nfs/dbraw/zinc/50/93/50/1344509350.db2.gz NUVGFNZQDUMBDF-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001038622697 1344509355 /nfs/dbraw/zinc/50/93/55/1344509355.db2.gz NUVGFNZQDUMBDF-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+]2CC2CCC(C)(C)CC2)CC[N@H+]1C ZINC001038629590 1344511607 /nfs/dbraw/zinc/51/16/07/1344511607.db2.gz IMACFUGHIQYIGK-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CC2CCC(C)(C)CC2)CC[NH+]1C ZINC001038629590 1344511609 /nfs/dbraw/zinc/51/16/09/1344511609.db2.gz IMACFUGHIQYIGK-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2CC2CCC(C)(C)CC2)CC[NH+]1C ZINC001038629590 1344511613 /nfs/dbraw/zinc/51/16/13/1344511613.db2.gz IMACFUGHIQYIGK-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CCC(C)(C)C)cc1 ZINC001038702223 1344547636 /nfs/dbraw/zinc/54/76/36/1344547636.db2.gz DMSFQNNNWHRESB-IBGZPJMESA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2[C@@H](C)c2ccccc2)CC1 ZINC001038872468 1344621953 /nfs/dbraw/zinc/62/19/53/1344621953.db2.gz PEKHUKHJGVUVNB-PXNSSMCTSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCC2=CCCCC2)CC1 ZINC001038874108 1344623627 /nfs/dbraw/zinc/62/36/27/1344623627.db2.gz YWBFNZGNZSIOQV-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCC1 ZINC001038908082 1344646439 /nfs/dbraw/zinc/64/64/39/1344646439.db2.gz HNHFDTUJIWLOMI-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCC1 ZINC001038908082 1344646444 /nfs/dbraw/zinc/64/64/44/1344646444.db2.gz HNHFDTUJIWLOMI-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCC1 ZINC001038908082 1344646446 /nfs/dbraw/zinc/64/64/46/1344646446.db2.gz HNHFDTUJIWLOMI-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001039047643 1344733564 /nfs/dbraw/zinc/73/35/64/1344733564.db2.gz FSAVUKMFWOFMOK-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001039047643 1344733567 /nfs/dbraw/zinc/73/35/67/1344733567.db2.gz FSAVUKMFWOFMOK-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001039047643 1344733570 /nfs/dbraw/zinc/73/35/70/1344733570.db2.gz FSAVUKMFWOFMOK-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039132534 1344810688 /nfs/dbraw/zinc/81/06/88/1344810688.db2.gz NTDFJBQPXKPVIS-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC001039132534 1344810691 /nfs/dbraw/zinc/81/06/91/1344810691.db2.gz NTDFJBQPXKPVIS-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001039132534 1344810695 /nfs/dbraw/zinc/81/06/95/1344810695.db2.gz NTDFJBQPXKPVIS-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1)[NH+](C)C ZINC001039137904 1344817962 /nfs/dbraw/zinc/81/79/62/1344817962.db2.gz UEZMBKDEFNWRNL-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CC[NH+](C(C)C)C2)CC1 ZINC001039140255 1344820187 /nfs/dbraw/zinc/82/01/87/1344820187.db2.gz RJTRPRWDGIHVQK-VQTJNVASSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001039140255 1344820191 /nfs/dbraw/zinc/82/01/91/1344820191.db2.gz RJTRPRWDGIHVQK-VQTJNVASSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001039140255 1344820194 /nfs/dbraw/zinc/82/01/94/1344820194.db2.gz RJTRPRWDGIHVQK-VQTJNVASSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167569 1344855424 /nfs/dbraw/zinc/85/54/24/1344855424.db2.gz XSFZZQSMCMAHJB-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC001039167569 1344855426 /nfs/dbraw/zinc/85/54/26/1344855426.db2.gz XSFZZQSMCMAHJB-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC001039167569 1344855430 /nfs/dbraw/zinc/85/54/30/1344855430.db2.gz XSFZZQSMCMAHJB-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173171 1344863285 /nfs/dbraw/zinc/86/32/85/1344863285.db2.gz PQOPUSGBMFMKAN-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC2)C1 ZINC001039183049 1344881057 /nfs/dbraw/zinc/88/10/57/1344881057.db2.gz UZJVAVSYBVSVJM-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214370 1344929780 /nfs/dbraw/zinc/92/97/80/1344929780.db2.gz OKPIKEWELLLJPD-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039214370 1344929784 /nfs/dbraw/zinc/92/97/84/1344929784.db2.gz OKPIKEWELLLJPD-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039214370 1344929787 /nfs/dbraw/zinc/92/97/87/1344929787.db2.gz OKPIKEWELLLJPD-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039216647 1344933390 /nfs/dbraw/zinc/93/33/90/1344933390.db2.gz CEKDJKGRCQDADS-IEBWSBKVSA-N 2 1 340.471 3.061 20 0 EGADMP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001039282741 1344995827 /nfs/dbraw/zinc/99/58/27/1344995827.db2.gz STOKBMNBNJJEDX-RAFMOHDBSA-N 2 1 349.563 3.265 20 0 EGADMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001039289643 1344998478 /nfs/dbraw/zinc/99/84/78/1344998478.db2.gz WMICCWBTNZHYDZ-QZNYNHHHSA-N 2 1 347.547 3.305 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039375668 1345032853 /nfs/dbraw/zinc/03/28/53/1345032853.db2.gz QTAVSLVRTFTWOA-MOPGFXCFSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001039447768 1345072330 /nfs/dbraw/zinc/07/23/30/1345072330.db2.gz JENNDZZNQVCNSM-QRVBRYPASA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001039474352 1345088999 /nfs/dbraw/zinc/08/89/99/1345088999.db2.gz CUAZGQPSQCMLLG-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CCCCC1)[NH+](C)C ZINC001039919877 1345245905 /nfs/dbraw/zinc/24/59/05/1345245905.db2.gz KEMXOKIRQWAMHU-ZCNNSNEGSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040209282 1345376315 /nfs/dbraw/zinc/37/63/15/1345376315.db2.gz ICHVTBLNKNXORU-FXAWDEMLSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040209282 1345376321 /nfs/dbraw/zinc/37/63/21/1345376321.db2.gz ICHVTBLNKNXORU-FXAWDEMLSA-N 2 1 346.519 3.121 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040243782 1345393291 /nfs/dbraw/zinc/39/32/91/1345393291.db2.gz AXGKITLOFLSSAB-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040243782 1345393295 /nfs/dbraw/zinc/39/32/95/1345393295.db2.gz AXGKITLOFLSSAB-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040243782 1345393297 /nfs/dbraw/zinc/39/32/97/1345393297.db2.gz AXGKITLOFLSSAB-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040544568 1345539051 /nfs/dbraw/zinc/53/90/51/1345539051.db2.gz WPGVQFQGRXFWPF-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001040730504 1345571738 /nfs/dbraw/zinc/57/17/38/1345571738.db2.gz VJYMGYAKBHBECZ-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)CC1 ZINC001040817480 1345582133 /nfs/dbraw/zinc/58/21/33/1345582133.db2.gz RCFBFYSINQGSAF-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001040953194 1345609543 /nfs/dbraw/zinc/60/95/43/1345609543.db2.gz KUZFNDFXCYYGEC-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041286710 1345694413 /nfs/dbraw/zinc/69/44/13/1345694413.db2.gz MLKLUFAFMVPYTE-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[NH+](CC(CC)CC)C2)C1 ZINC001041342730 1345706531 /nfs/dbraw/zinc/70/65/31/1345706531.db2.gz GBYSTLBQTHCNBA-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC(CC)CC)C2)C1 ZINC001041342730 1345706534 /nfs/dbraw/zinc/70/65/34/1345706534.db2.gz GBYSTLBQTHCNBA-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC(CC)CC)C2)C1 ZINC001041342730 1345706537 /nfs/dbraw/zinc/70/65/37/1345706537.db2.gz GBYSTLBQTHCNBA-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001042848481 1346120758 /nfs/dbraw/zinc/12/07/58/1346120758.db2.gz PANSOLNNMHOMNF-PXNSSMCTSA-N 2 1 343.515 3.073 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001042848481 1346120762 /nfs/dbraw/zinc/12/07/62/1346120762.db2.gz PANSOLNNMHOMNF-PXNSSMCTSA-N 2 1 343.515 3.073 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C1C[NH+](CCC2=CCCCC2)C1 ZINC001042922962 1346125197 /nfs/dbraw/zinc/12/51/97/1346125197.db2.gz IIKWLTZIPJLUHT-IBGZPJMESA-N 2 1 347.547 3.282 20 0 EGADMP CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1C[NH+](CCC2CCCCC2)C1 ZINC001043071762 1346136401 /nfs/dbraw/zinc/13/64/01/1346136401.db2.gz BKHGSIUKCWXPMR-AZUAARDMSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1C[NH+](CCC2CCCCC2)C1 ZINC001043071762 1346136408 /nfs/dbraw/zinc/13/64/08/1346136408.db2.gz BKHGSIUKCWXPMR-AZUAARDMSA-N 2 1 347.547 3.116 20 0 EGADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001044335350 1346301445 /nfs/dbraw/zinc/30/14/45/1346301445.db2.gz HFFYIIBIGFVQOF-FXAWDEMLSA-N 2 1 343.515 3.073 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001044335350 1346301447 /nfs/dbraw/zinc/30/14/47/1346301447.db2.gz HFFYIIBIGFVQOF-FXAWDEMLSA-N 2 1 343.515 3.073 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001045034624 1346484110 /nfs/dbraw/zinc/48/41/10/1346484110.db2.gz PUGMGZDFOCGIDC-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP O=C(N1CCC[C@H]1C[NH2+]CC1CCCCCC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001045289526 1346551060 /nfs/dbraw/zinc/55/10/60/1346551060.db2.gz LHMPPNAQXTUFOP-FPOVZHCZSA-N 2 1 347.547 3.023 20 0 EGADMP CC1(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC[NH+](CC2CCCC2)CC1 ZINC001045438940 1346594117 /nfs/dbraw/zinc/59/41/17/1346594117.db2.gz XSBGCNACZWPVJK-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CC2CCCCC2)CC1 ZINC001045438384 1346594152 /nfs/dbraw/zinc/59/41/52/1346594152.db2.gz RPCKVNNPXGXXOM-LJQANCHMSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1(C)CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001045528704 1346618219 /nfs/dbraw/zinc/61/82/19/1346618219.db2.gz BTHXPOUFHVRNQN-SFHVURJKSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1(C)CC[NH+](CCCC2CCCC2)CC1 ZINC001045528790 1346618227 /nfs/dbraw/zinc/61/82/27/1346618227.db2.gz DGIRCQBSQIMOKJ-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC[NH+](CC2CCCC2)CC1 ZINC001045585058 1346637770 /nfs/dbraw/zinc/63/77/70/1346637770.db2.gz MHSHVQKIZUBPHV-RTBURBONSA-N 2 1 347.547 3.164 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001045797766 1346700912 /nfs/dbraw/zinc/70/09/12/1346700912.db2.gz ZPFOMMGLBIYOMA-QRVBRYPASA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001045797766 1346700914 /nfs/dbraw/zinc/70/09/14/1346700914.db2.gz ZPFOMMGLBIYOMA-QRVBRYPASA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001045797766 1346700915 /nfs/dbraw/zinc/70/09/15/1346700915.db2.gz ZPFOMMGLBIYOMA-QRVBRYPASA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001045952744 1346788261 /nfs/dbraw/zinc/78/82/61/1346788261.db2.gz SANPKIJHFHBGCG-HXUWFJFHSA-N 2 1 340.471 3.063 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001045961341 1346796913 /nfs/dbraw/zinc/79/69/13/1346796913.db2.gz MAGRIAQTZCXWLJ-IRFCIJBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001045961341 1346796916 /nfs/dbraw/zinc/79/69/16/1346796916.db2.gz MAGRIAQTZCXWLJ-IRFCIJBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001045961341 1346796918 /nfs/dbraw/zinc/79/69/18/1346796918.db2.gz MAGRIAQTZCXWLJ-IRFCIJBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045966827 1346801831 /nfs/dbraw/zinc/80/18/31/1346801831.db2.gz HFYMHUXYZJOFBF-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001045966827 1346801833 /nfs/dbraw/zinc/80/18/33/1346801833.db2.gz HFYMHUXYZJOFBF-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001045966827 1346801834 /nfs/dbraw/zinc/80/18/34/1346801834.db2.gz HFYMHUXYZJOFBF-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCC3CCCCC3)C2)CC[N@H+]1C ZINC001046330677 1346936287 /nfs/dbraw/zinc/93/62/87/1346936287.db2.gz PQKDESDYZIBEFW-ZVDOUQERSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001046330677 1346936288 /nfs/dbraw/zinc/93/62/88/1346936288.db2.gz PQKDESDYZIBEFW-ZVDOUQERSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001046330677 1346936290 /nfs/dbraw/zinc/93/62/90/1346936290.db2.gz PQKDESDYZIBEFW-ZVDOUQERSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@]1(NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+](CC2=CCCCC2)C1 ZINC001046453278 1346979710 /nfs/dbraw/zinc/97/97/10/1346979710.db2.gz GJQLVPTUQBGZRZ-HXUWFJFHSA-N 2 1 338.455 3.029 20 0 EGADMP C[C@@]1(NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+](CCC2CCCC2)C1 ZINC001046487420 1346991872 /nfs/dbraw/zinc/99/18/72/1346991872.db2.gz XDWYBACEDZJNMQ-HXUWFJFHSA-N 2 1 340.471 3.109 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001046597424 1347032604 /nfs/dbraw/zinc/03/26/04/1347032604.db2.gz ICUBNBNXESIUOC-OAQYLSRUSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047265997 1347286996 /nfs/dbraw/zinc/28/69/96/1347286996.db2.gz NNIZECVKBWMACM-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001048525192 1347577729 /nfs/dbraw/zinc/57/77/29/1347577729.db2.gz ONVCMCYODZDNQU-IZBJGVDFSA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001048525192 1347577732 /nfs/dbraw/zinc/57/77/32/1347577732.db2.gz ONVCMCYODZDNQU-IZBJGVDFSA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001048525192 1347577733 /nfs/dbraw/zinc/57/77/33/1347577733.db2.gz ONVCMCYODZDNQU-IZBJGVDFSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001048529643 1347580062 /nfs/dbraw/zinc/58/00/62/1347580062.db2.gz UCUSKVNHWXJHPI-BOQPXBONSA-N 2 1 349.563 3.122 20 0 EGADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001048529643 1347580064 /nfs/dbraw/zinc/58/00/64/1347580064.db2.gz UCUSKVNHWXJHPI-BOQPXBONSA-N 2 1 349.563 3.122 20 0 EGADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001048529643 1347580067 /nfs/dbraw/zinc/58/00/67/1347580067.db2.gz UCUSKVNHWXJHPI-BOQPXBONSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001048533320 1347581969 /nfs/dbraw/zinc/58/19/69/1347581969.db2.gz AJVRJVKTDNCXTQ-RNQOJCNYSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001048533320 1347581971 /nfs/dbraw/zinc/58/19/71/1347581971.db2.gz AJVRJVKTDNCXTQ-RNQOJCNYSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001048533320 1347581972 /nfs/dbraw/zinc/58/19/72/1347581972.db2.gz AJVRJVKTDNCXTQ-RNQOJCNYSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001048620022 1347621087 /nfs/dbraw/zinc/62/10/87/1347621087.db2.gz XQZFGXXDHHJJGH-FHWLQOOXSA-N 2 1 337.552 3.170 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049095401 1347723777 /nfs/dbraw/zinc/72/37/77/1347723777.db2.gz ZYIHPZDPVWZNCU-RLLQIKCJSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@H](C)CC)C[C@@H]2C1 ZINC001049165299 1347737726 /nfs/dbraw/zinc/73/77/26/1347737726.db2.gz LWNPFTQDXQYRRL-ZRNYENFQSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)CC)C[C@@H]2C1 ZINC001049165299 1347737729 /nfs/dbraw/zinc/73/77/29/1347737729.db2.gz LWNPFTQDXQYRRL-ZRNYENFQSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@H](C)CC)C[C@@H]2C1 ZINC001049165299 1347737730 /nfs/dbraw/zinc/73/77/30/1347737730.db2.gz LWNPFTQDXQYRRL-ZRNYENFQSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482468 1347870065 /nfs/dbraw/zinc/87/00/65/1347870065.db2.gz NKXLVBMAQIACMH-ZGXWSNOMSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001049482468 1347870067 /nfs/dbraw/zinc/87/00/67/1347870067.db2.gz NKXLVBMAQIACMH-ZGXWSNOMSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049482468 1347870069 /nfs/dbraw/zinc/87/00/69/1347870069.db2.gz NKXLVBMAQIACMH-ZGXWSNOMSA-N 2 1 349.563 3.218 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC(CC)CC ZINC001049508579 1347884215 /nfs/dbraw/zinc/88/42/15/1347884215.db2.gz QIGFAAHFBLCRER-SLFFLAALSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(CC)CC ZINC001049508579 1347884219 /nfs/dbraw/zinc/88/42/19/1347884219.db2.gz QIGFAAHFBLCRER-SLFFLAALSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(CC)CC ZINC001049508579 1347884220 /nfs/dbraw/zinc/88/42/20/1347884220.db2.gz QIGFAAHFBLCRER-SLFFLAALSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001049548139 1347902910 /nfs/dbraw/zinc/90/29/10/1347902910.db2.gz CPIBONFWKGIVEC-HSALFYBXSA-N 2 1 347.547 3.282 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCCC1 ZINC001049557019 1347908032 /nfs/dbraw/zinc/90/80/32/1347908032.db2.gz FOOJXBFMNCARLL-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCCC1 ZINC001049557019 1347908034 /nfs/dbraw/zinc/90/80/34/1347908034.db2.gz FOOJXBFMNCARLL-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCCC1 ZINC001049557019 1347908035 /nfs/dbraw/zinc/90/80/35/1347908035.db2.gz FOOJXBFMNCARLL-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589746 1347925217 /nfs/dbraw/zinc/92/52/17/1347925217.db2.gz BNCFZXPPUGTXGS-OALUTQOASA-N 2 1 340.471 3.059 20 0 EGADMP CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001049663764 1347963198 /nfs/dbraw/zinc/96/31/98/1347963198.db2.gz NDDDFJJDSHRNBX-ZCNNSNEGSA-N 2 1 347.547 3.259 20 0 EGADMP CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001049663764 1347963200 /nfs/dbraw/zinc/96/32/00/1347963200.db2.gz NDDDFJJDSHRNBX-ZCNNSNEGSA-N 2 1 347.547 3.259 20 0 EGADMP CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001049663764 1347963203 /nfs/dbraw/zinc/96/32/03/1347963203.db2.gz NDDDFJJDSHRNBX-ZCNNSNEGSA-N 2 1 347.547 3.259 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCCC1 ZINC001049723820 1347990511 /nfs/dbraw/zinc/99/05/11/1347990511.db2.gz OZIWKRYADJVBHC-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCCC1 ZINC001049723820 1347990515 /nfs/dbraw/zinc/99/05/15/1347990515.db2.gz OZIWKRYADJVBHC-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCCC1 ZINC001049723820 1347990517 /nfs/dbraw/zinc/99/05/17/1347990517.db2.gz OZIWKRYADJVBHC-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCC1CCCC1)[NH+](C)C ZINC001049727881 1347991033 /nfs/dbraw/zinc/99/10/33/1347991033.db2.gz MGZCHXLQQPOFGR-SLFFLAALSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCCCC1)[NH+](C)C ZINC001049727561 1347991320 /nfs/dbraw/zinc/99/13/20/1347991320.db2.gz KEUHZGLOSNRYPS-SLFFLAALSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049751147 1347999986 /nfs/dbraw/zinc/99/99/86/1347999986.db2.gz BMDLYVLWAGWURH-ZWKOTPCHSA-N 2 1 344.503 3.038 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049751147 1347999988 /nfs/dbraw/zinc/99/99/88/1347999988.db2.gz BMDLYVLWAGWURH-ZWKOTPCHSA-N 2 1 344.503 3.038 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCC1 ZINC001049760689 1348005738 /nfs/dbraw/zinc/00/57/38/1348005738.db2.gz BAQHJICMLXIOAG-VAMGGRTRSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCC1 ZINC001049760689 1348005740 /nfs/dbraw/zinc/00/57/40/1348005740.db2.gz BAQHJICMLXIOAG-VAMGGRTRSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCC1 ZINC001049760689 1348005744 /nfs/dbraw/zinc/00/57/44/1348005744.db2.gz BAQHJICMLXIOAG-VAMGGRTRSA-N 2 1 347.547 3.115 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763138 1348008115 /nfs/dbraw/zinc/00/81/15/1348008115.db2.gz UMULPCOOXSVTIX-QZTJIDSGSA-N 2 1 346.519 3.262 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763138 1348008118 /nfs/dbraw/zinc/00/81/18/1348008118.db2.gz UMULPCOOXSVTIX-QZTJIDSGSA-N 2 1 346.519 3.262 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049915616 1348109896 /nfs/dbraw/zinc/10/98/96/1348109896.db2.gz XLTZCJYWGXAKME-VAMGGRTRSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050067122 1348170995 /nfs/dbraw/zinc/17/09/95/1348170995.db2.gz OHISLIIVJZNLGX-XUVXKRRUSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050067122 1348170997 /nfs/dbraw/zinc/17/09/97/1348170997.db2.gz OHISLIIVJZNLGX-XUVXKRRUSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050067122 1348170999 /nfs/dbraw/zinc/17/09/99/1348170999.db2.gz OHISLIIVJZNLGX-XUVXKRRUSA-N 2 1 347.547 3.138 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC001050068710 1348171472 /nfs/dbraw/zinc/17/14/72/1348171472.db2.gz GWLBXDBUQDBFQA-IPMKNSEASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001050068710 1348171473 /nfs/dbraw/zinc/17/14/73/1348171473.db2.gz GWLBXDBUQDBFQA-IPMKNSEASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001050068710 1348171475 /nfs/dbraw/zinc/17/14/75/1348171475.db2.gz GWLBXDBUQDBFQA-IPMKNSEASA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21)[NH+](C)C ZINC001050144647 1348194891 /nfs/dbraw/zinc/19/48/91/1348194891.db2.gz LVUBVFFEGXGGFH-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCc2ccc([C@@H](C)[NH2+]CC3CC3)cc2)CC[N@H+]1C ZINC001050262557 1348222021 /nfs/dbraw/zinc/22/20/21/1348222021.db2.gz BSDHKPJGLDGYPS-UIAACRFSSA-N 2 1 343.515 3.094 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)C2)CC1 ZINC001050392827 1348249227 /nfs/dbraw/zinc/24/92/27/1348249227.db2.gz INMGHLCNMVVRBO-TZCBXBLLSA-N 2 1 349.563 3.172 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001050577465 1348292535 /nfs/dbraw/zinc/29/25/35/1348292535.db2.gz QUZBEJXUYHOLFW-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCC(C)(C)C)CC2)CC[N@H+]1C ZINC001052395610 1348539751 /nfs/dbraw/zinc/53/97/51/1348539751.db2.gz WBBLWCLCYLHSDJ-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCC(C)(C)C)CC2)CC[NH+]1C ZINC001052395610 1348539753 /nfs/dbraw/zinc/53/97/53/1348539753.db2.gz WBBLWCLCYLHSDJ-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCC(C)(C)C)CC2)CC[NH+]1C ZINC001052395610 1348539754 /nfs/dbraw/zinc/53/97/54/1348539754.db2.gz WBBLWCLCYLHSDJ-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CCC2)CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001052447538 1348543972 /nfs/dbraw/zinc/54/39/72/1348543972.db2.gz GZIRPSZXLXSBMB-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CC2CCC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001052447538 1348543974 /nfs/dbraw/zinc/54/39/74/1348543974.db2.gz GZIRPSZXLXSBMB-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CC2CCC2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001052447538 1348543977 /nfs/dbraw/zinc/54/39/77/1348543977.db2.gz GZIRPSZXLXSBMB-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052658473 1348617134 /nfs/dbraw/zinc/61/71/34/1348617134.db2.gz OOPDZAKKQLHZPU-WDSOQIARSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001052658473 1348617136 /nfs/dbraw/zinc/61/71/36/1348617136.db2.gz OOPDZAKKQLHZPU-WDSOQIARSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001052658473 1348617137 /nfs/dbraw/zinc/61/71/37/1348617137.db2.gz OOPDZAKKQLHZPU-WDSOQIARSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001052662546 1348617974 /nfs/dbraw/zinc/61/79/74/1348617974.db2.gz IRRYYWSMUYOTCY-GOSISDBHSA-N 2 1 349.519 3.362 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680749 1348627875 /nfs/dbraw/zinc/62/78/75/1348627875.db2.gz SQCGDGKRJQFLOS-YLJYHZDGSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052758402 1348666512 /nfs/dbraw/zinc/66/65/12/1348666512.db2.gz UUEJBYMUUDQOIT-KRWDZBQOSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052758402 1348666514 /nfs/dbraw/zinc/66/65/14/1348666514.db2.gz UUEJBYMUUDQOIT-KRWDZBQOSA-N 2 1 334.508 3.023 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052787961 1348679564 /nfs/dbraw/zinc/67/95/64/1348679564.db2.gz OJRWIGDWKIWELM-MOPGFXCFSA-N 2 1 349.494 3.081 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCC(C)(C)C)CC2)CC1 ZINC001052821598 1348690193 /nfs/dbraw/zinc/69/01/93/1348690193.db2.gz ZIVJIBXDSUNPKY-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC001052956584 1348770796 /nfs/dbraw/zinc/77/07/96/1348770796.db2.gz VKCQFOGWZKVHJG-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001052956584 1348770798 /nfs/dbraw/zinc/77/07/98/1348770798.db2.gz VKCQFOGWZKVHJG-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001052956584 1348770801 /nfs/dbraw/zinc/77/08/01/1348770801.db2.gz VKCQFOGWZKVHJG-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC[C@H](F)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052959880 1348772556 /nfs/dbraw/zinc/77/25/56/1348772556.db2.gz ZNMSWKRTUPGAHX-ROUUACIJSA-N 2 1 349.494 3.081 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029839 1348828795 /nfs/dbraw/zinc/82/87/95/1348828795.db2.gz WUHIFEMBQSWELY-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001053104762 1348941437 /nfs/dbraw/zinc/94/14/37/1348941437.db2.gz QIRRYHDIBOLVPQ-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001054244574 1349238425 /nfs/dbraw/zinc/23/84/25/1349238425.db2.gz HHAMBSMXUJLYMZ-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001054244574 1349238426 /nfs/dbraw/zinc/23/84/26/1349238426.db2.gz HHAMBSMXUJLYMZ-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCC(C)C)C2)C1 ZINC001054244574 1349238431 /nfs/dbraw/zinc/23/84/31/1349238431.db2.gz HHAMBSMXUJLYMZ-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)cc2C1 ZINC001054264463 1349261944 /nfs/dbraw/zinc/26/19/44/1349261944.db2.gz FKKGKEBFWAWLGC-FQEVSTJZSA-N 2 1 343.515 3.291 20 0 EGADMP CCCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)cc2C1 ZINC001054264463 1349261950 /nfs/dbraw/zinc/26/19/50/1349261950.db2.gz FKKGKEBFWAWLGC-FQEVSTJZSA-N 2 1 343.515 3.291 20 0 EGADMP CCCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)cc2C1 ZINC001054264463 1349261953 /nfs/dbraw/zinc/26/19/53/1349261953.db2.gz FKKGKEBFWAWLGC-FQEVSTJZSA-N 2 1 343.515 3.291 20 0 EGADMP CC(C)[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[C@H]4CCCC[NH+]43)cc2C1 ZINC001054269629 1349268834 /nfs/dbraw/zinc/26/88/34/1349268834.db2.gz IFZWHHDXZOQIJO-WOJBJXKFSA-N 2 1 341.499 3.044 20 0 EGADMP CC(C)[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)cc2C1 ZINC001054269629 1349268838 /nfs/dbraw/zinc/26/88/38/1349268838.db2.gz IFZWHHDXZOQIJO-WOJBJXKFSA-N 2 1 341.499 3.044 20 0 EGADMP CC(C)[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)cc2C1 ZINC001054269629 1349268839 /nfs/dbraw/zinc/26/88/39/1349268839.db2.gz IFZWHHDXZOQIJO-WOJBJXKFSA-N 2 1 341.499 3.044 20 0 EGADMP CCC(CC)C[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)C3)cc2C1 ZINC001054292267 1349298226 /nfs/dbraw/zinc/29/82/26/1349298226.db2.gz XOAXMQSSZPKOEK-IBGZPJMESA-N 2 1 343.515 3.006 20 0 EGADMP CCC(CC)C[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)cc2C1 ZINC001054292267 1349298231 /nfs/dbraw/zinc/29/82/31/1349298231.db2.gz XOAXMQSSZPKOEK-IBGZPJMESA-N 2 1 343.515 3.006 20 0 EGADMP CCC(CC)C[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)cc2C1 ZINC001054292267 1349298237 /nfs/dbraw/zinc/29/82/37/1349298237.db2.gz XOAXMQSSZPKOEK-IBGZPJMESA-N 2 1 343.515 3.006 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254683 1357537529 /nfs/dbraw/zinc/53/75/29/1357537529.db2.gz BDWFZQARZMTJBC-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001080254834 1357537700 /nfs/dbraw/zinc/53/77/00/1357537700.db2.gz HTYUCLDOPVUFNT-ZHALLVOQSA-N 2 1 343.515 3.059 20 0 EGADMP COCC[N@@H+](CCc1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC001235945282 1376922353 /nfs/dbraw/zinc/92/23/53/1376922353.db2.gz DLJFHUFCFFJISN-UHFFFAOYSA-N 2 1 331.287 3.236 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc3cc(Br)ccc3[nH]2)C1 ZINC001237058539 1376974006 /nfs/dbraw/zinc/97/40/06/1376974006.db2.gz QHFNXXHCTQWGJL-MRXNPFEDSA-N 2 1 336.277 3.491 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@@H](C)CC(C)C)C1 ZINC001183082408 1387259560 /nfs/dbraw/zinc/25/95/60/1387259560.db2.gz TUQGEHAMCJFKOS-NLWGTHIKSA-N 2 1 339.568 3.085 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001082741129 1358086021 /nfs/dbraw/zinc/08/60/21/1358086021.db2.gz QGJDWAQEKIFQNE-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001071547003 1354759825 /nfs/dbraw/zinc/75/98/25/1354759825.db2.gz QAALSVAACMKQMN-GDBMZVCRSA-N 2 1 337.533 3.048 20 0 EGADMP CC(C)C[N@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001071547003 1354759830 /nfs/dbraw/zinc/75/98/30/1354759830.db2.gz QAALSVAACMKQMN-GDBMZVCRSA-N 2 1 337.533 3.048 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CC1=CCCCC1 ZINC001071646054 1354823961 /nfs/dbraw/zinc/82/39/61/1354823961.db2.gz RKLQYLOHNGOKQV-PKOBYXMFSA-N 2 1 345.531 3.084 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CCC1CCCC1 ZINC001071645213 1354824187 /nfs/dbraw/zinc/82/41/87/1354824187.db2.gz HSSLECAZZDOZIR-MJGOQNOKSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)C[N@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001071701670 1354860171 /nfs/dbraw/zinc/86/01/71/1354860171.db2.gz MCTBZGGUIHDFON-PKOBYXMFSA-N 2 1 345.531 3.029 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CCC1=CCCCC1 ZINC001071796013 1354941135 /nfs/dbraw/zinc/94/11/35/1354941135.db2.gz PERCVSRLTFMVOT-XLIONFOSSA-N 2 1 347.547 3.188 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071821594 1354961476 /nfs/dbraw/zinc/96/14/76/1354961476.db2.gz QNELPZWCOKWHPX-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071821594 1354961481 /nfs/dbraw/zinc/96/14/81/1354961481.db2.gz QNELPZWCOKWHPX-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071821594 1354961485 /nfs/dbraw/zinc/96/14/85/1354961485.db2.gz QNELPZWCOKWHPX-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C)[N@@H+](CCC3CCCC3)C2)CC1 ZINC001071930347 1355030281 /nfs/dbraw/zinc/03/02/81/1355030281.db2.gz CXBXJHHTRAQSCZ-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071953879 1355039810 /nfs/dbraw/zinc/03/98/10/1355039810.db2.gz GUDVAEBNOTVTGR-HKUYNNGSSA-N 2 1 335.536 3.042 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CCC1CCCCC1 ZINC001072081870 1355119112 /nfs/dbraw/zinc/11/91/12/1355119112.db2.gz UDOVMHJPHLWFLD-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001183228448 1387282659 /nfs/dbraw/zinc/28/26/59/1387282659.db2.gz IMEJJZJFELNGBE-CLKPHGLSSA-N 2 1 337.552 3.149 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1)C1CCC1 ZINC001074023837 1356040214 /nfs/dbraw/zinc/04/02/14/1356040214.db2.gz JXYMMRCQSHHBSJ-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001074023837 1356040216 /nfs/dbraw/zinc/04/02/16/1356040216.db2.gz JXYMMRCQSHHBSJ-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001074023837 1356040220 /nfs/dbraw/zinc/04/02/20/1356040220.db2.gz JXYMMRCQSHHBSJ-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001074063127 1356061381 /nfs/dbraw/zinc/06/13/81/1356061381.db2.gz GSCLAGLTMPACMW-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCC1)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001074063127 1356061383 /nfs/dbraw/zinc/06/13/83/1356061383.db2.gz GSCLAGLTMPACMW-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCC1)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001074063127 1356061386 /nfs/dbraw/zinc/06/13/86/1356061386.db2.gz GSCLAGLTMPACMW-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCC3=CCCCC3)[C@@H]2C)CC[N@H+]1C ZINC001074663231 1356222453 /nfs/dbraw/zinc/22/24/53/1356222453.db2.gz SGVWMQXFQPVXOG-FRYIKTPZSA-N 2 1 347.547 3.186 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC3CCCCCC3)[C@@H]2C)CC[N@H+]1C ZINC001074663163 1356222523 /nfs/dbraw/zinc/22/25/23/1356222523.db2.gz LRCBGYNWHTYRNB-FRYIKTPZSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)[C@@H]1C ZINC001074686119 1356224606 /nfs/dbraw/zinc/22/46/06/1356224606.db2.gz PZTJHZVJIUJVJE-UHOSZYNNSA-N 2 1 349.563 3.265 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C)c1ccc(Cl)cc1 ZINC001074803691 1356248084 /nfs/dbraw/zinc/24/80/84/1356248084.db2.gz KNDNYNBWGXWVIJ-DFEHZGFQSA-N 2 1 349.906 3.074 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001183256132 1387286563 /nfs/dbraw/zinc/28/65/63/1387286563.db2.gz SSACRZWNZYZSPG-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001099257576 1363717669 /nfs/dbraw/zinc/71/76/69/1363717669.db2.gz IAWPISVDHBBQMX-KRWDZBQOSA-N 2 1 348.535 3.413 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001099257576 1363717672 /nfs/dbraw/zinc/71/76/72/1363717672.db2.gz IAWPISVDHBBQMX-KRWDZBQOSA-N 2 1 348.535 3.413 20 0 EGADMP C[NH+](C)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)C1 ZINC001183375087 1387304091 /nfs/dbraw/zinc/30/40/91/1387304091.db2.gz PPVNSEFTJVDPGZ-RVWIWJKTSA-N 2 1 349.478 3.481 20 0 EGADMP C[NH+](C)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)C1 ZINC001183375087 1387304093 /nfs/dbraw/zinc/30/40/93/1387304093.db2.gz PPVNSEFTJVDPGZ-RVWIWJKTSA-N 2 1 349.478 3.481 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC(C)(C)C)C1 ZINC001183399184 1387306881 /nfs/dbraw/zinc/30/68/81/1387306881.db2.gz OORYCVXWJWOALV-OXQOHEQNSA-N 2 1 348.535 3.092 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001082508276 1358052553 /nfs/dbraw/zinc/05/25/53/1358052553.db2.gz XAZZKXKRNRLNTP-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101644 1358391552 /nfs/dbraw/zinc/39/15/52/1358391552.db2.gz WJPRRLOUNSJHIY-HOJAQTOUSA-N 2 1 343.515 3.012 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101644 1358391554 /nfs/dbraw/zinc/39/15/54/1358391554.db2.gz WJPRRLOUNSJHIY-HOJAQTOUSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001085331961 1358470398 /nfs/dbraw/zinc/47/03/98/1358470398.db2.gz GNORWRPQQQLSDQ-MISYRCLQSA-N 2 1 347.547 3.378 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2=CCCCC2)C1 ZINC001085393965 1358487520 /nfs/dbraw/zinc/48/75/20/1358487520.db2.gz PUYIROUVQSNDBK-VAMGGRTRSA-N 2 1 347.547 3.236 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC2CCCCC2)C1 ZINC001085639945 1358653965 /nfs/dbraw/zinc/65/39/65/1358653965.db2.gz ZDUPPXXBYSINJV-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CCCCC2)C1 ZINC001085639945 1358653966 /nfs/dbraw/zinc/65/39/66/1358653966.db2.gz ZDUPPXXBYSINJV-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CCCCC2)C1 ZINC001085639945 1358653969 /nfs/dbraw/zinc/65/39/69/1358653969.db2.gz ZDUPPXXBYSINJV-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCC2CCC2)C1 ZINC001085639838 1358654004 /nfs/dbraw/zinc/65/40/04/1358654004.db2.gz XDGULNHCPRYXAL-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCC2CCC2)C1 ZINC001085639838 1358654006 /nfs/dbraw/zinc/65/40/06/1358654006.db2.gz XDGULNHCPRYXAL-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCCC2CCC2)C1 ZINC001085639838 1358654008 /nfs/dbraw/zinc/65/40/08/1358654008.db2.gz XDGULNHCPRYXAL-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CC1CCC(C)(C)CC1)C(=O)[C@H]1CCCC[NH+]1C ZINC001085675068 1358678214 /nfs/dbraw/zinc/67/82/14/1358678214.db2.gz KFADEHCYEOPNJJ-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CC1CCC(C)(C)CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001085675068 1358678222 /nfs/dbraw/zinc/67/82/22/1358678222.db2.gz KFADEHCYEOPNJJ-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CC1CCC(C)(C)CC1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001085675068 1358678232 /nfs/dbraw/zinc/67/82/32/1358678232.db2.gz KFADEHCYEOPNJJ-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCC1CCCC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085725848 1358713560 /nfs/dbraw/zinc/71/35/60/1358713560.db2.gz HLYWVFPNYBONIJ-LJQANCHMSA-N 2 1 340.471 3.061 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCC2CCCC2)CC1 ZINC001085901668 1358859813 /nfs/dbraw/zinc/85/98/13/1358859813.db2.gz KIPUAHIKEFJCSS-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC2=CCCCC2)CC1 ZINC001085902237 1358860881 /nfs/dbraw/zinc/86/08/81/1358860881.db2.gz XUXBQAASOJUSKH-FQEVSTJZSA-N 2 1 347.547 3.140 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCC(C)(C)C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986914 1358938753 /nfs/dbraw/zinc/93/87/53/1358938753.db2.gz PGLOERNHBWZUQT-SFHVURJKSA-N 2 1 345.531 3.331 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086102013 1358997826 /nfs/dbraw/zinc/99/78/26/1358997826.db2.gz FQISUIWKNHPFTE-HSALFYBXSA-N 2 1 347.547 3.236 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086198667 1359024966 /nfs/dbraw/zinc/02/49/66/1359024966.db2.gz ASVRKZPHANJVDX-LMCOJAPRSA-N 2 1 349.563 3.029 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001086251081 1359042095 /nfs/dbraw/zinc/04/20/95/1359042095.db2.gz ZSSGFMLVTRQDEJ-HSALFYBXSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC001086875627 1359219039 /nfs/dbraw/zinc/21/90/39/1359219039.db2.gz ZSTMMYPLBNKKCL-XUVXKRRUSA-N 2 1 349.563 3.173 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001087212743 1359323145 /nfs/dbraw/zinc/32/31/45/1359323145.db2.gz OJVKFWKIVNRZHG-LMMKCTJWSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC001184098946 1387392305 /nfs/dbraw/zinc/39/23/05/1387392305.db2.gz KLZYMZPNZWMSKN-UYAOXDASSA-N 2 1 343.515 3.156 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC001184098946 1387392311 /nfs/dbraw/zinc/39/23/11/1387392311.db2.gz KLZYMZPNZWMSKN-UYAOXDASSA-N 2 1 343.515 3.156 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1ccccc1 ZINC001087659783 1359576065 /nfs/dbraw/zinc/57/60/65/1359576065.db2.gz AIGXAXGWXCCUOC-VQTJNVASSA-N 2 1 348.450 3.117 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1CC ZINC001087684762 1359588443 /nfs/dbraw/zinc/58/84/43/1359588443.db2.gz MWAFURMTRQWTMV-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CCCC1CCCC1 ZINC001087726759 1359614682 /nfs/dbraw/zinc/61/46/82/1359614682.db2.gz RJHAKAGTMIAWQC-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CCCC1CCCC1 ZINC001087726759 1359614685 /nfs/dbraw/zinc/61/46/85/1359614685.db2.gz RJHAKAGTMIAWQC-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CCCC1CCCC1 ZINC001087726759 1359614687 /nfs/dbraw/zinc/61/46/87/1359614687.db2.gz RJHAKAGTMIAWQC-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1CC[C@H](C)F ZINC001087762651 1359632592 /nfs/dbraw/zinc/63/25/92/1359632592.db2.gz FWODOJWCQNISBM-ZYSHUDEJSA-N 2 1 349.494 3.079 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(C)C)[C@@H]1CC ZINC001087792109 1359648648 /nfs/dbraw/zinc/64/86/48/1359648648.db2.gz NBLGRKYMHUCPNJ-OTWHNJEPSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(C)C)[C@@H]1CC ZINC001087792109 1359648651 /nfs/dbraw/zinc/64/86/51/1359648651.db2.gz NBLGRKYMHUCPNJ-OTWHNJEPSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(C)C)[C@@H]1CC ZINC001087792109 1359648653 /nfs/dbraw/zinc/64/86/53/1359648653.db2.gz NBLGRKYMHUCPNJ-OTWHNJEPSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCC)CC[C@@H]2C1 ZINC001088166534 1359778379 /nfs/dbraw/zinc/77/83/79/1359778379.db2.gz GHYSTTSYFYQUPE-HSALFYBXSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@@H]2C1 ZINC001088166534 1359778380 /nfs/dbraw/zinc/77/83/80/1359778380.db2.gz GHYSTTSYFYQUPE-HSALFYBXSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@@H]2C1 ZINC001088166534 1359778384 /nfs/dbraw/zinc/77/83/84/1359778384.db2.gz GHYSTTSYFYQUPE-HSALFYBXSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCC)CC[C@@H]2C1 ZINC001088166533 1359778539 /nfs/dbraw/zinc/77/85/39/1359778539.db2.gz GHYSTTSYFYQUPE-AABGKKOBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@@H]2C1 ZINC001088166533 1359778541 /nfs/dbraw/zinc/77/85/41/1359778541.db2.gz GHYSTTSYFYQUPE-AABGKKOBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@@H]2C1 ZINC001088166533 1359778543 /nfs/dbraw/zinc/77/85/43/1359778543.db2.gz GHYSTTSYFYQUPE-AABGKKOBSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211464 1359796266 /nfs/dbraw/zinc/79/62/66/1359796266.db2.gz LMEPVJQFVXUIFO-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001088280729 1359825453 /nfs/dbraw/zinc/82/54/53/1359825453.db2.gz YOVPWRKCNJSZIR-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC001348852051 1391275125 /nfs/dbraw/zinc/27/51/25/1391275125.db2.gz JCHNNWJBWOVEOZ-MAZHCROVSA-N 2 1 341.293 3.114 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCCC[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001088381998 1359865040 /nfs/dbraw/zinc/86/50/40/1359865040.db2.gz ROQBCEGZNJGFTM-ICSRJNTNSA-N 2 1 347.547 3.189 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCCCC[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001088413603 1359885022 /nfs/dbraw/zinc/88/50/22/1359885022.db2.gz JXWXTUWVPHQXEU-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001088431109 1359898896 /nfs/dbraw/zinc/89/88/96/1359898896.db2.gz IJTXJQJZMIKGMA-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1 ZINC001088431111 1359898940 /nfs/dbraw/zinc/89/89/40/1359898940.db2.gz IJTXJQJZMIKGMA-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001088605272 1359988915 /nfs/dbraw/zinc/98/89/15/1359988915.db2.gz NFGHZHYYFKEQSN-NZSAHSFTSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001088605272 1359988922 /nfs/dbraw/zinc/98/89/22/1359988922.db2.gz NFGHZHYYFKEQSN-NZSAHSFTSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001088605272 1359988924 /nfs/dbraw/zinc/98/89/24/1359988924.db2.gz NFGHZHYYFKEQSN-NZSAHSFTSA-N 2 1 347.547 3.020 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H]2C)cs1 ZINC001088791764 1360045884 /nfs/dbraw/zinc/04/58/84/1360045884.db2.gz AQXRMPOEMZCVSE-WBVHZDCISA-N 2 1 349.544 3.010 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1CCCCCC1 ZINC001088792025 1360045917 /nfs/dbraw/zinc/04/59/17/1360045917.db2.gz QOFDVMYFRIPYGP-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CCC1=CCCCC1 ZINC001088939159 1360108310 /nfs/dbraw/zinc/10/83/10/1360108310.db2.gz ANWVRFKEYDBPJA-QUCCMNQESA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)[C@@H]2C)CC1 ZINC001088952056 1360112092 /nfs/dbraw/zinc/11/20/92/1360112092.db2.gz VVBKJIUHVUHKBS-XLIONFOSSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCCC[C@H]1C[NH+](C)CC1CCC1 ZINC001089186388 1360237021 /nfs/dbraw/zinc/23/70/21/1360237021.db2.gz VZCLTKNIRJIDST-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCC1 ZINC001089186388 1360237024 /nfs/dbraw/zinc/23/70/24/1360237024.db2.gz VZCLTKNIRJIDST-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC001089186388 1360237027 /nfs/dbraw/zinc/23/70/27/1360237027.db2.gz VZCLTKNIRJIDST-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407089 1360405585 /nfs/dbraw/zinc/40/55/85/1360405585.db2.gz VZMGYWTXQPPAAN-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089407089 1360405588 /nfs/dbraw/zinc/40/55/88/1360405588.db2.gz VZMGYWTXQPPAAN-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089407089 1360405589 /nfs/dbraw/zinc/40/55/89/1360405589.db2.gz VZMGYWTXQPPAAN-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421506 1360415541 /nfs/dbraw/zinc/41/55/41/1360415541.db2.gz VEELPPORJFHDRG-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089421506 1360415543 /nfs/dbraw/zinc/41/55/43/1360415543.db2.gz VEELPPORJFHDRG-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089421506 1360415546 /nfs/dbraw/zinc/41/55/46/1360415546.db2.gz VEELPPORJFHDRG-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C(C)C)CC(C)(C)C1 ZINC001089428564 1360420398 /nfs/dbraw/zinc/42/03/98/1360420398.db2.gz ZGQZDYAUXZSVIV-QZTJIDSGSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C(C)C)CC(C)(C)C1 ZINC001089428564 1360420401 /nfs/dbraw/zinc/42/04/01/1360420401.db2.gz ZGQZDYAUXZSVIV-QZTJIDSGSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C(C)C)CC(C)(C)C1 ZINC001089428564 1360420402 /nfs/dbraw/zinc/42/04/02/1360420402.db2.gz ZGQZDYAUXZSVIV-QZTJIDSGSA-N 2 1 337.552 3.122 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC(C)(C)C ZINC001089616657 1360536815 /nfs/dbraw/zinc/53/68/15/1360536815.db2.gz MVYMPRSRFMMHQD-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C ZINC001089616657 1360536818 /nfs/dbraw/zinc/53/68/18/1360536818.db2.gz MVYMPRSRFMMHQD-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C ZINC001089616657 1360536820 /nfs/dbraw/zinc/53/68/20/1360536820.db2.gz MVYMPRSRFMMHQD-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCCC1CCC1 ZINC001089617112 1360537049 /nfs/dbraw/zinc/53/70/49/1360537049.db2.gz UNIVZSFFRZVJGO-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCC1CCC1 ZINC001089617112 1360537052 /nfs/dbraw/zinc/53/70/52/1360537052.db2.gz UNIVZSFFRZVJGO-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCC1CCC1 ZINC001089617112 1360537053 /nfs/dbraw/zinc/53/70/53/1360537053.db2.gz UNIVZSFFRZVJGO-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089639272 1360553045 /nfs/dbraw/zinc/55/30/45/1360553045.db2.gz RZQLOXZIEAJQRQ-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001089639272 1360553046 /nfs/dbraw/zinc/55/30/46/1360553046.db2.gz RZQLOXZIEAJQRQ-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001089639272 1360553048 /nfs/dbraw/zinc/55/30/48/1360553048.db2.gz RZQLOXZIEAJQRQ-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001089641883 1360554250 /nfs/dbraw/zinc/55/42/50/1360554250.db2.gz WCTQJIYNCMNCBM-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001089641883 1360554251 /nfs/dbraw/zinc/55/42/51/1360554251.db2.gz WCTQJIYNCMNCBM-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001089641883 1360554254 /nfs/dbraw/zinc/55/42/54/1360554254.db2.gz WCTQJIYNCMNCBM-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001089649090 1360562276 /nfs/dbraw/zinc/56/22/76/1360562276.db2.gz AJWZSILVHGQVRT-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001089649090 1360562278 /nfs/dbraw/zinc/56/22/78/1360562278.db2.gz AJWZSILVHGQVRT-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001089649090 1360562281 /nfs/dbraw/zinc/56/22/81/1360562281.db2.gz AJWZSILVHGQVRT-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001089674841 1360583732 /nfs/dbraw/zinc/58/37/32/1360583732.db2.gz FBPYKLADKNCYEM-SFHVURJKSA-N 2 1 345.531 3.031 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC(C)C ZINC001089734860 1360639117 /nfs/dbraw/zinc/63/91/17/1360639117.db2.gz ZFRWZZZBKKOAGT-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(C)C ZINC001089734860 1360639119 /nfs/dbraw/zinc/63/91/19/1360639119.db2.gz ZFRWZZZBKKOAGT-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(C)C ZINC001089734860 1360639120 /nfs/dbraw/zinc/63/91/20/1360639120.db2.gz ZFRWZZZBKKOAGT-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC2(C1)CC[NH+](CCC1CCCC1)CC2 ZINC001323834683 1387468779 /nfs/dbraw/zinc/46/87/79/1387468779.db2.gz COMMBRHYIQMEIC-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C[NH2+]CCC1CCCC1 ZINC001184577031 1387496724 /nfs/dbraw/zinc/49/67/24/1387496724.db2.gz KGOBQRIZYXYXLS-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071090 1361288689 /nfs/dbraw/zinc/28/86/89/1361288689.db2.gz FYIWPBUGGLWAAS-SBHAEUEKSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071090 1361288691 /nfs/dbraw/zinc/28/86/91/1361288691.db2.gz FYIWPBUGGLWAAS-SBHAEUEKSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071090 1361288692 /nfs/dbraw/zinc/28/86/92/1361288692.db2.gz FYIWPBUGGLWAAS-SBHAEUEKSA-N 2 1 349.563 3.076 20 0 EGADMP CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120812 1361533163 /nfs/dbraw/zinc/53/31/63/1361533163.db2.gz OPKYVXNKDQMRJE-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H](C)C1 ZINC001093120812 1361533168 /nfs/dbraw/zinc/53/31/68/1361533168.db2.gz OPKYVXNKDQMRJE-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@H](C)C1 ZINC001093120812 1361533171 /nfs/dbraw/zinc/53/31/71/1361533171.db2.gz OPKYVXNKDQMRJE-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](C)C1 ZINC001093822445 1361701897 /nfs/dbraw/zinc/70/18/97/1361701897.db2.gz RBMOUFKMBMBONJ-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCC2CC2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001324075260 1387529979 /nfs/dbraw/zinc/52/99/79/1387529979.db2.gz PVRATYIRUWLHGF-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CCC[C@@H]12 ZINC001094457170 1361809077 /nfs/dbraw/zinc/80/90/77/1361809077.db2.gz VPIPORRHNYMJCV-QKNQBKEWSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(C)C)CC2 ZINC001094457170 1361809080 /nfs/dbraw/zinc/80/90/80/1361809080.db2.gz VPIPORRHNYMJCV-QKNQBKEWSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(C)C)CC2 ZINC001094457170 1361809083 /nfs/dbraw/zinc/80/90/83/1361809083.db2.gz VPIPORRHNYMJCV-QKNQBKEWSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001324083668 1387534496 /nfs/dbraw/zinc/53/44/96/1387534496.db2.gz XIQBEQPWLGHHBN-HKUYNNGSSA-N 2 1 345.531 3.134 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCC1)CC2 ZINC001094584758 1361871279 /nfs/dbraw/zinc/87/12/79/1361871279.db2.gz FQQIHTJZFYMGRF-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2 ZINC001094584758 1361871284 /nfs/dbraw/zinc/87/12/84/1361871284.db2.gz FQQIHTJZFYMGRF-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2 ZINC001094584758 1361871287 /nfs/dbraw/zinc/87/12/87/1361871287.db2.gz FQQIHTJZFYMGRF-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001095625089 1362188666 /nfs/dbraw/zinc/18/86/66/1362188666.db2.gz YIYOUZHVVPNZEM-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001095625089 1362188667 /nfs/dbraw/zinc/18/86/67/1362188667.db2.gz YIYOUZHVVPNZEM-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001095625089 1362188669 /nfs/dbraw/zinc/18/86/69/1362188669.db2.gz YIYOUZHVVPNZEM-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001095625089 1362188671 /nfs/dbraw/zinc/18/86/71/1362188671.db2.gz YIYOUZHVVPNZEM-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCC2)C1 ZINC001095904014 1362280379 /nfs/dbraw/zinc/28/03/79/1362280379.db2.gz WLFMARLBRHRXSJ-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCC2)C1 ZINC001095904014 1362280386 /nfs/dbraw/zinc/28/03/86/1362280386.db2.gz WLFMARLBRHRXSJ-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCC2)C1 ZINC001095904014 1362280387 /nfs/dbraw/zinc/28/03/87/1362280387.db2.gz WLFMARLBRHRXSJ-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001096100901 1362383180 /nfs/dbraw/zinc/38/31/80/1362383180.db2.gz JRUOYHQIZLJPOX-YRXWBPOGSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(C)C ZINC001096314532 1362461177 /nfs/dbraw/zinc/46/11/77/1362461177.db2.gz MDRCBGVHLPTPQH-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C ZINC001096314532 1362461179 /nfs/dbraw/zinc/46/11/79/1362461179.db2.gz MDRCBGVHLPTPQH-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C ZINC001096314532 1362461182 /nfs/dbraw/zinc/46/11/82/1362461182.db2.gz MDRCBGVHLPTPQH-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001097318245 1362929161 /nfs/dbraw/zinc/92/91/61/1362929161.db2.gz MSGLJLNWCZTVEQ-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCC2)C1 ZINC001097695314 1363103206 /nfs/dbraw/zinc/10/32/06/1363103206.db2.gz WLFMARLBRHRXSJ-WTGUMLROSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCC2)C1 ZINC001097695314 1363103209 /nfs/dbraw/zinc/10/32/09/1363103209.db2.gz WLFMARLBRHRXSJ-WTGUMLROSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCC2)C1 ZINC001097695314 1363103210 /nfs/dbraw/zinc/10/32/10/1363103210.db2.gz WLFMARLBRHRXSJ-WTGUMLROSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCC2)CC1 ZINC001097976171 1363186321 /nfs/dbraw/zinc/18/63/21/1363186321.db2.gz XXHFBUIEYMWKJW-AQNXPRMDSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001324449234 1387624994 /nfs/dbraw/zinc/62/49/94/1387624994.db2.gz BHGATVNQHITNIX-WOJBJXKFSA-N 2 1 339.483 3.089 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098835299 1363487516 /nfs/dbraw/zinc/48/75/16/1363487516.db2.gz OFHFJABGHXTZTR-ZJOUEHCJSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098835299 1363487517 /nfs/dbraw/zinc/48/75/17/1363487517.db2.gz OFHFJABGHXTZTR-ZJOUEHCJSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001098835299 1363487518 /nfs/dbraw/zinc/48/75/18/1363487518.db2.gz OFHFJABGHXTZTR-ZJOUEHCJSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCC1)C2)[NH+]1CCCCCC1 ZINC001099059950 1363600494 /nfs/dbraw/zinc/60/04/94/1363600494.db2.gz RKDFPEBTMONZCI-LMNJBCLMSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115273 1363631422 /nfs/dbraw/zinc/63/14/22/1363631422.db2.gz DENOUBHCVMTNQL-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001099115273 1363631425 /nfs/dbraw/zinc/63/14/25/1363631425.db2.gz DENOUBHCVMTNQL-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001099115273 1363631428 /nfs/dbraw/zinc/63/14/28/1363631428.db2.gz DENOUBHCVMTNQL-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001099116946 1363633544 /nfs/dbraw/zinc/63/35/44/1363633544.db2.gz XXLYCSXZVJDJMQ-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001099116946 1363633546 /nfs/dbraw/zinc/63/35/46/1363633546.db2.gz XXLYCSXZVJDJMQ-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCC1 ZINC001099116946 1363633549 /nfs/dbraw/zinc/63/35/49/1363633549.db2.gz XXLYCSXZVJDJMQ-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C)[NH+](C)C ZINC001099125073 1363637611 /nfs/dbraw/zinc/63/76/11/1363637611.db2.gz AHNSVZPKVAAUCD-DLBZAZTESA-N 2 1 339.568 3.370 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C)[NH+](C)C ZINC001099125074 1363638232 /nfs/dbraw/zinc/63/82/32/1363638232.db2.gz AHNSVZPKVAAUCD-IAGOWNOFSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001099129813 1363641424 /nfs/dbraw/zinc/64/14/24/1363641424.db2.gz BDEHYHJTCOULQA-KRWDZBQOSA-N 2 1 337.552 3.290 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC=C(C)C ZINC001099129813 1363641428 /nfs/dbraw/zinc/64/14/28/1363641428.db2.gz BDEHYHJTCOULQA-KRWDZBQOSA-N 2 1 337.552 3.290 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC=C(C)C ZINC001099129813 1363641431 /nfs/dbraw/zinc/64/14/31/1363641431.db2.gz BDEHYHJTCOULQA-KRWDZBQOSA-N 2 1 337.552 3.290 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001099153366 1363659077 /nfs/dbraw/zinc/65/90/77/1363659077.db2.gz IZJWNGXLIKPXFW-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001099153366 1363659079 /nfs/dbraw/zinc/65/90/79/1363659079.db2.gz IZJWNGXLIKPXFW-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001099153366 1363659083 /nfs/dbraw/zinc/65/90/83/1363659083.db2.gz IZJWNGXLIKPXFW-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)(C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC1CC1)[NH+]1CCCC1 ZINC001099166416 1363665786 /nfs/dbraw/zinc/66/57/86/1363665786.db2.gz VTZQGLIHWBWXMD-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1=CCCCC1 ZINC001099213785 1363695125 /nfs/dbraw/zinc/69/51/25/1363695125.db2.gz GSMSRZZPSAOEJD-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(C)C)[NH+](CC)CC ZINC001099230984 1363704929 /nfs/dbraw/zinc/70/49/29/1363704929.db2.gz ZMLKTMBGHPHZCI-ZWKOTPCHSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099239630 1363708236 /nfs/dbraw/zinc/70/82/36/1363708236.db2.gz HXSSCJLVXCDNOD-KRWDZBQOSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001099239630 1363708240 /nfs/dbraw/zinc/70/82/40/1363708240.db2.gz HXSSCJLVXCDNOD-KRWDZBQOSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001099239630 1363708242 /nfs/dbraw/zinc/70/82/42/1363708242.db2.gz HXSSCJLVXCDNOD-KRWDZBQOSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099239969 1363708419 /nfs/dbraw/zinc/70/84/19/1363708419.db2.gz NIVCCSORQCWONT-GOSISDBHSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001099239969 1363708422 /nfs/dbraw/zinc/70/84/22/1363708422.db2.gz NIVCCSORQCWONT-GOSISDBHSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001099239969 1363708425 /nfs/dbraw/zinc/70/84/25/1363708425.db2.gz NIVCCSORQCWONT-GOSISDBHSA-N 2 1 349.563 3.291 20 0 EGADMP CC1(C)CC[C@H](CNC(=O)C[NH+]2CCCC2)[N@@H+](CC2CCCCC2)C1 ZINC001099340616 1363760509 /nfs/dbraw/zinc/76/05/09/1363760509.db2.gz WLIFGIFYWVATSJ-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[C@@H](CNC(=O)C[NH+]2CCCC2)[N@@H+](CCCC2CCC2)C1 ZINC001099340719 1363760535 /nfs/dbraw/zinc/76/05/35/1363760535.db2.gz XJXDESFWBOCWSJ-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001099348023 1363764761 /nfs/dbraw/zinc/76/47/61/1363764761.db2.gz FITAFOMZIWULJS-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099520891 1363831059 /nfs/dbraw/zinc/83/10/59/1363831059.db2.gz PFJADNSWMTUKLR-NMLBUPMWSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001100456944 1364120392 /nfs/dbraw/zinc/12/03/92/1364120392.db2.gz JPQIEZLJQIMUNY-KSTDHSDQSA-N 2 1 349.494 3.101 20 0 EGADMP CC[C@H]([NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)CC)C1)c1ccccc1 ZINC001100457345 1364120701 /nfs/dbraw/zinc/12/07/01/1364120701.db2.gz ZFIAOSXLEXHUJR-KVZIAJEVSA-N 2 1 345.531 3.352 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001100831343 1364282749 /nfs/dbraw/zinc/28/27/49/1364282749.db2.gz ROSUORXJGKKUBN-VIQWUECVSA-N 2 1 345.531 3.191 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001100898538 1364320476 /nfs/dbraw/zinc/32/04/76/1364320476.db2.gz LHOVMNHBGHAYNE-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H](C[NH2+]CCC(C)C)[C@@H](C)C1 ZINC001185306765 1387676913 /nfs/dbraw/zinc/67/69/13/1387676913.db2.gz MRLBJNNIUZGJLK-HKUYNNGSSA-N 2 1 348.535 3.092 20 0 EGADMP C[N@H+](CC(=O)NCC1CC([NH2+]CCC(C)(C)C)C1)Cc1ccccc1 ZINC001101065320 1364398086 /nfs/dbraw/zinc/39/80/86/1364398086.db2.gz LSJOANFFLLYXSC-UHFFFAOYSA-N 2 1 345.531 3.039 20 0 EGADMP C[N@@H+](CC(=O)NCC1CC([NH2+]CCC(C)(C)C)C1)Cc1ccccc1 ZINC001101065320 1364398087 /nfs/dbraw/zinc/39/80/87/1364398087.db2.gz LSJOANFFLLYXSC-UHFFFAOYSA-N 2 1 345.531 3.039 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H](C[NH2+]CCC(C)C)[C@@H](C)C1 ZINC001185306771 1387677319 /nfs/dbraw/zinc/67/73/19/1387677319.db2.gz MRLBJNNIUZGJLK-PKOBYXMFSA-N 2 1 348.535 3.092 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101285328 1364498771 /nfs/dbraw/zinc/49/87/71/1364498771.db2.gz YTGLTVBNPBLWHR-ZXFANKLMSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@]2(C)C1 ZINC001101285328 1364498774 /nfs/dbraw/zinc/49/87/74/1364498774.db2.gz YTGLTVBNPBLWHR-ZXFANKLMSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101285328 1364498777 /nfs/dbraw/zinc/49/87/77/1364498777.db2.gz YTGLTVBNPBLWHR-ZXFANKLMSA-N 2 1 349.563 3.243 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101546650 1364610896 /nfs/dbraw/zinc/61/08/96/1364610896.db2.gz KHUHYKWDEQTUJV-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001101551624 1364614421 /nfs/dbraw/zinc/61/44/21/1364614421.db2.gz TWSMHKQXAHKDDA-LJQANCHMSA-N 2 1 349.563 3.291 20 0 EGADMP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001101574177 1364629134 /nfs/dbraw/zinc/62/91/34/1364629134.db2.gz VGXJNYZDOFXFPL-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001101597420 1364648053 /nfs/dbraw/zinc/64/80/53/1364648053.db2.gz JYXAZGRZBRLYHQ-UHFFFAOYSA-N 2 1 337.552 3.147 20 0 EGADMP CCCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001101597604 1364648235 /nfs/dbraw/zinc/64/82/35/1364648235.db2.gz SKHTXGLMWTVFPR-UHFFFAOYSA-N 2 1 339.568 3.371 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001101973727 1364794792 /nfs/dbraw/zinc/79/47/92/1364794792.db2.gz QDZNJGMQHKIWRR-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001102044915 1364821606 /nfs/dbraw/zinc/82/16/06/1364821606.db2.gz KHVNFKONCJRYHD-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001102044915 1364821609 /nfs/dbraw/zinc/82/16/09/1364821609.db2.gz KHVNFKONCJRYHD-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001102044915 1364821611 /nfs/dbraw/zinc/82/16/11/1364821611.db2.gz KHVNFKONCJRYHD-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001102111186 1364863961 /nfs/dbraw/zinc/86/39/61/1364863961.db2.gz ZJJBWPIXPQNCPR-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CC2CCC2)C[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001102111186 1364863965 /nfs/dbraw/zinc/86/39/65/1364863965.db2.gz ZJJBWPIXPQNCPR-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CC2CCC2)C[C@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001102111186 1364863969 /nfs/dbraw/zinc/86/39/69/1364863969.db2.gz ZJJBWPIXPQNCPR-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102215205 1364937626 /nfs/dbraw/zinc/93/76/26/1364937626.db2.gz KYLYQXSJAHLSTI-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377036 1365030588 /nfs/dbraw/zinc/03/05/88/1365030588.db2.gz KQMDTYXIFFKJMV-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CCCCCC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377036 1365030592 /nfs/dbraw/zinc/03/05/92/1365030592.db2.gz KQMDTYXIFFKJMV-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CCCCCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377036 1365030596 /nfs/dbraw/zinc/03/05/96/1365030596.db2.gz KQMDTYXIFFKJMV-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP C[C@H](C(=O)NC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001102430033 1365050563 /nfs/dbraw/zinc/05/05/63/1365050563.db2.gz BERQYOGIVXLQPA-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102781939 1365215814 /nfs/dbraw/zinc/21/58/14/1365215814.db2.gz DJZRLJQNNOACCR-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001102781939 1365215819 /nfs/dbraw/zinc/21/58/19/1365215819.db2.gz DJZRLJQNNOACCR-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001102781939 1365215822 /nfs/dbraw/zinc/21/58/22/1365215822.db2.gz DJZRLJQNNOACCR-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001102987720 1365328573 /nfs/dbraw/zinc/32/85/73/1365328573.db2.gz OIDGFCFLAVTMGD-QRVBRYPASA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001102987720 1365328577 /nfs/dbraw/zinc/32/85/77/1365328577.db2.gz OIDGFCFLAVTMGD-QRVBRYPASA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001102987720 1365328579 /nfs/dbraw/zinc/32/85/79/1365328579.db2.gz OIDGFCFLAVTMGD-QRVBRYPASA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001102987775 1365328659 /nfs/dbraw/zinc/32/86/59/1365328659.db2.gz QPQOMJHYMXZXAT-GUDVDZBRSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001102987775 1365328661 /nfs/dbraw/zinc/32/86/61/1365328661.db2.gz QPQOMJHYMXZXAT-GUDVDZBRSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001102987775 1365328663 /nfs/dbraw/zinc/32/86/63/1365328663.db2.gz QPQOMJHYMXZXAT-GUDVDZBRSA-N 2 1 349.563 3.124 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[C@@H]1C[N@H+](CC(C)C)C[C@H]1C ZINC001103007203 1365335256 /nfs/dbraw/zinc/33/52/56/1365335256.db2.gz FJSWXIWCCBEPAT-FGTMMUONSA-N 2 1 348.535 3.127 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001103007203 1365335258 /nfs/dbraw/zinc/33/52/58/1365335258.db2.gz FJSWXIWCCBEPAT-FGTMMUONSA-N 2 1 348.535 3.127 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103083880 1365371787 /nfs/dbraw/zinc/37/17/87/1365371787.db2.gz NOQQTIRQLXNKLY-JNVNVXKGSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[C@@H]1C[NH+](CC2CCC2)C[C@H]1C ZINC001103086455 1365373543 /nfs/dbraw/zinc/37/35/43/1365373543.db2.gz DAQRFCJPZTWVBF-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NCC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001103086455 1365373547 /nfs/dbraw/zinc/37/35/47/1365373547.db2.gz DAQRFCJPZTWVBF-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NCC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001103086455 1365373553 /nfs/dbraw/zinc/37/35/53/1365373553.db2.gz DAQRFCJPZTWVBF-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103111615 1365387360 /nfs/dbraw/zinc/38/73/60/1365387360.db2.gz DUXJGRQBSIIJPF-POMXJBLMSA-N 2 1 337.552 3.003 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001103149869 1365410988 /nfs/dbraw/zinc/41/09/88/1365410988.db2.gz OXESIYNMXKQHOP-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001103149869 1365410990 /nfs/dbraw/zinc/41/09/90/1365410990.db2.gz OXESIYNMXKQHOP-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001103149869 1365410991 /nfs/dbraw/zinc/41/09/91/1365410991.db2.gz OXESIYNMXKQHOP-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001185546834 1387745183 /nfs/dbraw/zinc/74/51/83/1387745183.db2.gz DSHUDWUTNSAKDV-RBUKOAKNSA-N 2 1 339.568 3.373 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(CC)CC)[C@H](C)C1 ZINC001185547456 1387745296 /nfs/dbraw/zinc/74/52/96/1387745296.db2.gz HKJSKLXJXIDIQZ-IEBWSBKVSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001103633596 1365691240 /nfs/dbraw/zinc/69/12/40/1365691240.db2.gz FFRGFBWQQWXVQM-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001103633596 1365691242 /nfs/dbraw/zinc/69/12/42/1365691242.db2.gz FFRGFBWQQWXVQM-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001103633596 1365691244 /nfs/dbraw/zinc/69/12/44/1365691244.db2.gz FFRGFBWQQWXVQM-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104355008 1365983527 /nfs/dbraw/zinc/98/35/27/1365983527.db2.gz JWLVPSXGJYJGMD-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001104362755 1365988355 /nfs/dbraw/zinc/98/83/55/1365988355.db2.gz HXTBJXZEXBTYQY-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@](C)(C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001324817437 1387782807 /nfs/dbraw/zinc/78/28/07/1387782807.db2.gz IJWZQPFAQLDMBB-OXQOHEQNSA-N 2 1 349.494 3.057 20 0 EGADMP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104589063 1366090299 /nfs/dbraw/zinc/09/02/99/1366090299.db2.gz UBJUSKXJWDRMRZ-FTVQKVBOSA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001104932632 1366229527 /nfs/dbraw/zinc/22/95/27/1366229527.db2.gz DYYLIXHTZNGWGE-YZBXUTEPSA-N 2 1 337.552 3.149 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105517973 1366505367 /nfs/dbraw/zinc/50/53/67/1366505367.db2.gz NTYCPRDSVWVPCA-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001105536629 1366516383 /nfs/dbraw/zinc/51/63/83/1366516383.db2.gz FOIOAQDVVHSXKB-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001105536965 1366516771 /nfs/dbraw/zinc/51/67/71/1366516771.db2.gz LKJGLIHWKVVVBQ-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CCC[C@H]2C)CCC1 ZINC001105563042 1366532163 /nfs/dbraw/zinc/53/21/63/1366532163.db2.gz BKYTZRTYYSSPDQ-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CC[C@H](C)C2)CCC1 ZINC001105563068 1366532461 /nfs/dbraw/zinc/53/24/61/1366532461.db2.gz CDKNQTYQMSMGTP-OALUTQOASA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105575439 1366540651 /nfs/dbraw/zinc/54/06/51/1366540651.db2.gz ZEAVJNMXNFYFBF-RBUKOAKNSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105576855 1366541499 /nfs/dbraw/zinc/54/14/99/1366541499.db2.gz MOOMMMVKODQIIA-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CCC1CCCCC1 ZINC001106665416 1366768935 /nfs/dbraw/zinc/76/89/35/1366768935.db2.gz VTNIEVWSZDGIIY-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106672575 1366770361 /nfs/dbraw/zinc/77/03/61/1366770361.db2.gz DXTGYFGFRGSUAR-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CC(C)C1)CC2 ZINC001107454915 1366968912 /nfs/dbraw/zinc/96/89/12/1366968912.db2.gz PWJGOYFIIQAORV-YMPMHWPESA-N 2 1 349.563 3.124 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(C)C1)CC2 ZINC001107454915 1366968915 /nfs/dbraw/zinc/96/89/15/1366968915.db2.gz PWJGOYFIIQAORV-YMPMHWPESA-N 2 1 349.563 3.124 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(C)C1)CC2 ZINC001107454915 1366968917 /nfs/dbraw/zinc/96/89/17/1366968917.db2.gz PWJGOYFIIQAORV-YMPMHWPESA-N 2 1 349.563 3.124 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCCCC)C[C@H]21 ZINC001189454596 1367026218 /nfs/dbraw/zinc/02/62/18/1367026218.db2.gz XLHDFZZVNPGZLP-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CCCCC)C[C@H]21 ZINC001189454596 1367026223 /nfs/dbraw/zinc/02/62/23/1367026223.db2.gz XLHDFZZVNPGZLP-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CCCCC)C[C@H]21 ZINC001189454596 1367026228 /nfs/dbraw/zinc/02/62/28/1367026228.db2.gz XLHDFZZVNPGZLP-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550007 1367038065 /nfs/dbraw/zinc/03/80/65/1367038065.db2.gz KZSMSQCYVXDWDV-DBXWQHBBSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550007 1367038071 /nfs/dbraw/zinc/03/80/71/1367038071.db2.gz KZSMSQCYVXDWDV-DBXWQHBBSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550007 1367038078 /nfs/dbraw/zinc/03/80/78/1367038078.db2.gz KZSMSQCYVXDWDV-DBXWQHBBSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107550549 1367038754 /nfs/dbraw/zinc/03/87/54/1367038754.db2.gz ZXYMZZIVQTWSRD-SFHLNBCPSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107550549 1367038762 /nfs/dbraw/zinc/03/87/62/1367038762.db2.gz ZXYMZZIVQTWSRD-SFHLNBCPSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107550549 1367038764 /nfs/dbraw/zinc/03/87/64/1367038764.db2.gz ZXYMZZIVQTWSRD-SFHLNBCPSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107646075 1367090445 /nfs/dbraw/zinc/09/04/45/1367090445.db2.gz ARHVXMMQDJPNKU-SVFBPWRDSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560652 1367198284 /nfs/dbraw/zinc/19/82/84/1367198284.db2.gz LISVZEJCRWQLJA-SQNIBIBYSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCCC(C)(C)C)C2)CC[N@H+]1C ZINC001190248151 1367208938 /nfs/dbraw/zinc/20/89/38/1367208938.db2.gz XMJJVNZQYSYYCP-FGTMMUONSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCCC(C)(C)C)C2)CC[NH+]1C ZINC001190248151 1367208942 /nfs/dbraw/zinc/20/89/42/1367208942.db2.gz XMJJVNZQYSYYCP-FGTMMUONSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C2)CC[NH+]1C ZINC001190248151 1367208949 /nfs/dbraw/zinc/20/89/49/1367208949.db2.gz XMJJVNZQYSYYCP-FGTMMUONSA-N 2 1 337.552 3.076 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109590129 1367215173 /nfs/dbraw/zinc/21/51/73/1367215173.db2.gz UMVPLWQQIDZCJB-SQNIBIBYSA-N 2 1 335.536 3.163 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109589771 1367215324 /nfs/dbraw/zinc/21/53/24/1367215324.db2.gz DLEKQDOYULPUQS-CNGCZUSVSA-N 2 1 347.547 3.329 20 0 EGADMP CC[N@H+](CCc1cccs1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001190560942 1367294080 /nfs/dbraw/zinc/29/40/80/1367294080.db2.gz MWJRCRDKUFYABP-FQEVSTJZSA-N 2 1 344.524 3.250 20 0 EGADMP CC[N@@H+](CCc1cccs1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001190560942 1367294085 /nfs/dbraw/zinc/29/40/85/1367294085.db2.gz MWJRCRDKUFYABP-FQEVSTJZSA-N 2 1 344.524 3.250 20 0 EGADMP CC[NH+](CCc1cccs1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001190560942 1367294091 /nfs/dbraw/zinc/29/40/91/1367294091.db2.gz MWJRCRDKUFYABP-FQEVSTJZSA-N 2 1 344.524 3.250 20 0 EGADMP CC[NH+](CCc1cccs1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001190560942 1367294096 /nfs/dbraw/zinc/29/40/96/1367294096.db2.gz MWJRCRDKUFYABP-FQEVSTJZSA-N 2 1 344.524 3.250 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH+](C)CCCC3CCC3)C2)C1 ZINC001190655520 1367319384 /nfs/dbraw/zinc/31/93/84/1367319384.db2.gz POJNAUFOSIVRMZ-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCCC3CCC3)C2)C1 ZINC001190655520 1367319392 /nfs/dbraw/zinc/31/93/92/1367319392.db2.gz POJNAUFOSIVRMZ-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCCC3CCC3)C2)C1 ZINC001190655520 1367319399 /nfs/dbraw/zinc/31/93/99/1367319399.db2.gz POJNAUFOSIVRMZ-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)Cc2c(C)cccc2C)C1 ZINC001191020629 1367404137 /nfs/dbraw/zinc/40/41/37/1367404137.db2.gz ZCYWAWULHPOYNL-SFHVURJKSA-N 2 1 345.531 3.066 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2c(C)cccc2C)C1 ZINC001191020629 1367404139 /nfs/dbraw/zinc/40/41/39/1367404139.db2.gz ZCYWAWULHPOYNL-SFHVURJKSA-N 2 1 345.531 3.066 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2c(C)cccc2C)C1 ZINC001191020629 1367404144 /nfs/dbraw/zinc/40/41/44/1367404144.db2.gz ZCYWAWULHPOYNL-SFHVURJKSA-N 2 1 345.531 3.066 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191061466 1367412963 /nfs/dbraw/zinc/41/29/63/1367412963.db2.gz KEYRDQOOPPFBGQ-SFHVURJKSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001191061466 1367412965 /nfs/dbraw/zinc/41/29/65/1367412965.db2.gz KEYRDQOOPPFBGQ-SFHVURJKSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001191061466 1367412966 /nfs/dbraw/zinc/41/29/66/1367412966.db2.gz KEYRDQOOPPFBGQ-SFHVURJKSA-N 2 1 337.552 3.362 20 0 EGADMP Cc1c(C(=O)N2CC[C@H]([N@@H+](C)CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001191082467 1367420760 /nfs/dbraw/zinc/42/07/60/1367420760.db2.gz YIYZKXBASXRXHK-KRWDZBQOSA-N 2 1 342.487 3.225 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC2(CC2)CC1 ZINC001110020550 1367460794 /nfs/dbraw/zinc/46/07/94/1367460794.db2.gz HZBZJYKITAEYMB-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC2(CC2)CC1 ZINC001110020550 1367460798 /nfs/dbraw/zinc/46/07/98/1367460798.db2.gz HZBZJYKITAEYMB-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC2(CC2)CC1 ZINC001110020550 1367460803 /nfs/dbraw/zinc/46/08/03/1367460803.db2.gz HZBZJYKITAEYMB-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153987 1367527872 /nfs/dbraw/zinc/52/78/72/1367527872.db2.gz WEZFEFLXKSBMGK-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191560260 1367528040 /nfs/dbraw/zinc/52/80/40/1367528040.db2.gz CJUZRPPTVJXVMM-IPLHWJFFSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161554 1367534314 /nfs/dbraw/zinc/53/43/14/1367534314.db2.gz JDDUXVJCOBUNQP-RRLLLCOMSA-N 2 1 347.547 3.185 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188911 1367556227 /nfs/dbraw/zinc/55/62/27/1367556227.db2.gz VTGIGOHMVBEDTP-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001191921353 1367640166 /nfs/dbraw/zinc/64/01/66/1367640166.db2.gz ARNPMZAVWUEVQU-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001191921353 1367640174 /nfs/dbraw/zinc/64/01/74/1367640174.db2.gz ARNPMZAVWUEVQU-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001191921353 1367640177 /nfs/dbraw/zinc/64/01/77/1367640177.db2.gz ARNPMZAVWUEVQU-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001191923481 1367641397 /nfs/dbraw/zinc/64/13/97/1367641397.db2.gz WPBSCTQEIAQUEE-PXIXMTEYSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001191923481 1367641402 /nfs/dbraw/zinc/64/14/02/1367641402.db2.gz WPBSCTQEIAQUEE-PXIXMTEYSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001191923481 1367641405 /nfs/dbraw/zinc/64/14/05/1367641405.db2.gz WPBSCTQEIAQUEE-PXIXMTEYSA-N 2 1 349.563 3.388 20 0 EGADMP C[N@@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192376839 1367767827 /nfs/dbraw/zinc/76/78/27/1367767827.db2.gz DJWUYWUJJGTHJW-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001192376839 1367767834 /nfs/dbraw/zinc/76/78/34/1367767834.db2.gz DJWUYWUJJGTHJW-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001192376839 1367767838 /nfs/dbraw/zinc/76/78/38/1367767838.db2.gz DJWUYWUJJGTHJW-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110544826 1367821774 /nfs/dbraw/zinc/82/17/74/1367821774.db2.gz HGKBEZSLIUBUOL-PUROVWCESA-N 2 1 347.547 3.327 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110544826 1367821778 /nfs/dbraw/zinc/82/17/78/1367821778.db2.gz HGKBEZSLIUBUOL-PUROVWCESA-N 2 1 347.547 3.327 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001110544826 1367821781 /nfs/dbraw/zinc/82/17/81/1367821781.db2.gz HGKBEZSLIUBUOL-PUROVWCESA-N 2 1 347.547 3.327 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CCCCCF)C2)cc1 ZINC001192846300 1367887092 /nfs/dbraw/zinc/88/70/92/1367887092.db2.gz LKSXXGZRSSHCIR-IBGZPJMESA-N 2 1 349.494 3.034 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1)C(C)C ZINC001192918385 1367904759 /nfs/dbraw/zinc/90/47/59/1367904759.db2.gz ZKLIFIGTYOYQFE-QZTJIDSGSA-N 2 1 339.568 3.322 20 0 EGADMP CC1CCC(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+](C)C2CCC2)C3)CC1 ZINC001110673669 1367913637 /nfs/dbraw/zinc/91/36/37/1367913637.db2.gz LVJIAODLBYKGOB-XZJNCXDESA-N 2 1 347.547 3.019 20 0 EGADMP CC1CCC(C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+](C)C2CCC2)C3)CC1 ZINC001110673669 1367913638 /nfs/dbraw/zinc/91/36/38/1367913638.db2.gz LVJIAODLBYKGOB-XZJNCXDESA-N 2 1 347.547 3.019 20 0 EGADMP CC1CCC(C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@@H+](C)C2CCC2)C3)CC1 ZINC001110673669 1367913641 /nfs/dbraw/zinc/91/36/41/1367913641.db2.gz LVJIAODLBYKGOB-XZJNCXDESA-N 2 1 347.547 3.019 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1)[NH+](C)C ZINC001110716236 1367944428 /nfs/dbraw/zinc/94/44/28/1367944428.db2.gz SOJKMZYORRGFDM-MKXGPGLRSA-N 2 1 335.536 3.019 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001110738697 1367955181 /nfs/dbraw/zinc/95/51/81/1367955181.db2.gz OTOBBPYCGJQNMH-QRVBRYPASA-N 2 1 347.547 3.329 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1=CCCCC1 ZINC001110738697 1367955185 /nfs/dbraw/zinc/95/51/85/1367955185.db2.gz OTOBBPYCGJQNMH-QRVBRYPASA-N 2 1 347.547 3.329 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1=CCCCC1 ZINC001110738697 1367955190 /nfs/dbraw/zinc/95/51/90/1367955190.db2.gz OTOBBPYCGJQNMH-QRVBRYPASA-N 2 1 347.547 3.329 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193205733 1367966197 /nfs/dbraw/zinc/96/61/97/1367966197.db2.gz VOHUEULDQSZWCP-LJQANCHMSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408263 1368020501 /nfs/dbraw/zinc/02/05/01/1368020501.db2.gz HDXGTSFUDAQSAD-PZJWPPBQSA-N 2 1 345.531 3.042 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@@H]([NH+](C)CCC2CC2)C1)c1ccccc1 ZINC001193424561 1368027061 /nfs/dbraw/zinc/02/70/61/1368027061.db2.gz NEOYXNKMDTWWML-UXHICEINSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCC2CC2)C1)c1ccccc1 ZINC001193424561 1368027063 /nfs/dbraw/zinc/02/70/63/1368027063.db2.gz NEOYXNKMDTWWML-UXHICEINSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC2CC2)C1)c1ccccc1 ZINC001193424561 1368027064 /nfs/dbraw/zinc/02/70/64/1368027064.db2.gz NEOYXNKMDTWWML-UXHICEINSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001193609538 1368073007 /nfs/dbraw/zinc/07/30/07/1368073007.db2.gz CMKLWNLZYXZMCN-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001193609538 1368073012 /nfs/dbraw/zinc/07/30/12/1368073012.db2.gz CMKLWNLZYXZMCN-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001193609538 1368073018 /nfs/dbraw/zinc/07/30/18/1368073018.db2.gz CMKLWNLZYXZMCN-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC(C)C)C1 ZINC001110934630 1368104632 /nfs/dbraw/zinc/10/46/32/1368104632.db2.gz JQJYDZIWUKOLDE-WTGUMLROSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC(C)C)C1 ZINC001110934630 1368104635 /nfs/dbraw/zinc/10/46/35/1368104635.db2.gz JQJYDZIWUKOLDE-WTGUMLROSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC(C)C)C1 ZINC001110934630 1368104638 /nfs/dbraw/zinc/10/46/38/1368104638.db2.gz JQJYDZIWUKOLDE-WTGUMLROSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC(C)(C)C)CC[N@H+]1C ZINC001110947305 1368114857 /nfs/dbraw/zinc/11/48/57/1368114857.db2.gz IBIVVKPHGQBRLO-QTMHVTGLSA-N 2 1 349.563 3.265 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC(C)(C)C)CC[NH+]1C ZINC001110947305 1368114863 /nfs/dbraw/zinc/11/48/63/1368114863.db2.gz IBIVVKPHGQBRLO-QTMHVTGLSA-N 2 1 349.563 3.265 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC(C)(C)C)CC[NH+]1C ZINC001110947305 1368114867 /nfs/dbraw/zinc/11/48/67/1368114867.db2.gz IBIVVKPHGQBRLO-QTMHVTGLSA-N 2 1 349.563 3.265 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)c1 ZINC001110979934 1368131640 /nfs/dbraw/zinc/13/16/40/1368131640.db2.gz JMBJHUKVLDDENE-LFGUQSLTSA-N 2 1 343.515 3.038 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1)[NH+](CC)CC ZINC001111018290 1368144446 /nfs/dbraw/zinc/14/44/46/1368144446.db2.gz PQFCSAFAHKCSDW-WTGUMLROSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1)[NH+](C)C ZINC001111035770 1368147389 /nfs/dbraw/zinc/14/73/89/1368147389.db2.gz LXGYQXGRZVNFII-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP C[N@@H+](CCCC1CCC1)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194079264 1368179319 /nfs/dbraw/zinc/17/93/19/1368179319.db2.gz ACUOFBDOWRLJLI-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227910 1368213274 /nfs/dbraw/zinc/21/32/74/1368213274.db2.gz OHIAUPLQJLTXTI-ROUKRRSUSA-N 2 1 343.515 3.251 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1)c1ccccc1 ZINC001194274849 1368222606 /nfs/dbraw/zinc/22/26/06/1368222606.db2.gz NDQNOSLBCGXIGX-MOPGFXCFSA-N 2 1 345.531 3.258 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1)c1ccccc1 ZINC001194274849 1368222609 /nfs/dbraw/zinc/22/26/09/1368222609.db2.gz NDQNOSLBCGXIGX-MOPGFXCFSA-N 2 1 345.531 3.258 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001111269219 1368235632 /nfs/dbraw/zinc/23/56/32/1368235632.db2.gz VWCKDUQWRDFLIP-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001186362301 1387929527 /nfs/dbraw/zinc/92/95/27/1387929527.db2.gz HGLGENSAVYZRJY-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111416076 1368304460 /nfs/dbraw/zinc/30/44/60/1368304460.db2.gz HFUZBGUEXYECFR-QRVBRYPASA-N 2 1 335.536 3.164 20 0 EGADMP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001111467545 1368311257 /nfs/dbraw/zinc/31/12/57/1368311257.db2.gz NOFAUZBCIVRAQG-ZRNYENFQSA-N 2 1 343.515 3.201 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001111467545 1368311260 /nfs/dbraw/zinc/31/12/60/1368311260.db2.gz NOFAUZBCIVRAQG-ZRNYENFQSA-N 2 1 343.515 3.201 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111467763 1368313176 /nfs/dbraw/zinc/31/31/76/1368313176.db2.gz VAQTWMOHZCSMGV-AKHDSKFASA-N 2 1 335.536 3.019 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001111868528 1368516217 /nfs/dbraw/zinc/51/62/17/1368516217.db2.gz BIQMLBBUHPLJHD-OHMQNFHQSA-N 2 1 349.563 3.434 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001111869821 1368517273 /nfs/dbraw/zinc/51/72/73/1368517273.db2.gz LTPYLMXGLWRIKL-BJLQDIEVSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001111871902 1368519276 /nfs/dbraw/zinc/51/92/76/1368519276.db2.gz QTBKNXZQMZXYKD-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001111871902 1368519283 /nfs/dbraw/zinc/51/92/83/1368519283.db2.gz QTBKNXZQMZXYKD-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001111871902 1368519290 /nfs/dbraw/zinc/51/92/90/1368519290.db2.gz QTBKNXZQMZXYKD-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163440 1368560038 /nfs/dbraw/zinc/56/00/38/1368560038.db2.gz OESMATIAEKKELD-KRWDZBQOSA-N 2 1 346.519 3.121 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163440 1368560042 /nfs/dbraw/zinc/56/00/42/1368560042.db2.gz OESMATIAEKKELD-KRWDZBQOSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1=CCCCC1)C2 ZINC001111952464 1368572026 /nfs/dbraw/zinc/57/20/26/1368572026.db2.gz JALGCLBNVDPWNC-FPOVZHCZSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1=CCCCC1)C2 ZINC001111952464 1368572033 /nfs/dbraw/zinc/57/20/33/1368572033.db2.gz JALGCLBNVDPWNC-FPOVZHCZSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1=CCCCC1)C2 ZINC001111952464 1368572034 /nfs/dbraw/zinc/57/20/34/1368572034.db2.gz JALGCLBNVDPWNC-FPOVZHCZSA-N 2 1 347.547 3.189 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC001196242498 1368574420 /nfs/dbraw/zinc/57/44/20/1368574420.db2.gz KAYJYWBBGAWGPN-SFFCAUCYSA-N 2 1 346.519 3.361 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111987104 1368592947 /nfs/dbraw/zinc/59/29/47/1368592947.db2.gz RQDMHSDKNUNSOI-ICSRJNTNSA-N 2 1 335.536 3.023 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001197125884 1368749663 /nfs/dbraw/zinc/74/96/63/1368749663.db2.gz NYJIGAFWVKJLBF-CHYADLBTSA-N 2 1 344.503 3.110 20 0 EGADMP CC[C@H](C(=O)N1CCC[N@@H+](CCCC2CCC2)CC1)[NH+](CC)CC ZINC001197142244 1368753612 /nfs/dbraw/zinc/75/36/12/1368753612.db2.gz VRXPRGHVAWGTIE-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197331318 1368789598 /nfs/dbraw/zinc/78/95/98/1368789598.db2.gz JOWFQGVLBMLRQT-ZMBJWTFHSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C/CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001197331318 1368789600 /nfs/dbraw/zinc/78/96/00/1368789600.db2.gz JOWFQGVLBMLRQT-ZMBJWTFHSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C/CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001197331318 1368789604 /nfs/dbraw/zinc/78/96/04/1368789604.db2.gz JOWFQGVLBMLRQT-ZMBJWTFHSA-N 2 1 335.536 3.140 20 0 EGADMP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001112585732 1368938198 /nfs/dbraw/zinc/93/81/98/1368938198.db2.gz OLZZFVOPQRWJGL-ZVDOUQERSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC=C(C)C)C1 ZINC001112585821 1368938332 /nfs/dbraw/zinc/93/83/32/1368938332.db2.gz SMQXNENAKNNLIU-ZJOUEHCJSA-N 2 1 347.547 3.045 20 0 EGADMP CCOc1ccc2c(c1)C[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)CC2 ZINC001325436434 1387971965 /nfs/dbraw/zinc/97/19/65/1387971965.db2.gz DRJUGPRLWIZZIT-IBGZPJMESA-N 2 1 340.467 3.195 20 0 EGADMP CCCCCC[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198258768 1368991402 /nfs/dbraw/zinc/99/14/02/1368991402.db2.gz DMXGYUFMJKPISN-HXUWFJFHSA-N 2 1 345.531 3.404 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198258768 1368991407 /nfs/dbraw/zinc/99/14/07/1368991407.db2.gz DMXGYUFMJKPISN-HXUWFJFHSA-N 2 1 345.531 3.404 20 0 EGADMP CCCc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)C(C)C)CC2)cc1 ZINC001198274329 1368995190 /nfs/dbraw/zinc/99/51/90/1368995190.db2.gz FORGSANEBHLCRF-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH+](CCCC(C)(C)C)CC1 ZINC001112864922 1369056785 /nfs/dbraw/zinc/05/67/85/1369056785.db2.gz JVRVIAXFXZQRMI-QGZVFWFLSA-N 2 1 348.535 3.367 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@H]2CCC[NH+](C(C)C)CC2)CC1 ZINC001186605557 1387984269 /nfs/dbraw/zinc/98/42/69/1387984269.db2.gz PQAACHCDNYPXFV-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001186605557 1387984273 /nfs/dbraw/zinc/98/42/73/1387984273.db2.gz PQAACHCDNYPXFV-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC001186605557 1387984277 /nfs/dbraw/zinc/98/42/77/1387984277.db2.gz PQAACHCDNYPXFV-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)CC1 ZINC001186605792 1387985503 /nfs/dbraw/zinc/98/55/03/1387985503.db2.gz UZEMXVCQASGLDF-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)CC[N@H+](C)CC)CC2)CC1 ZINC001186605792 1387985507 /nfs/dbraw/zinc/98/55/07/1387985507.db2.gz UZEMXVCQASGLDF-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)CC[N@@H+](C)CC)CC2)CC1 ZINC001186605792 1387985511 /nfs/dbraw/zinc/98/55/11/1387985511.db2.gz UZEMXVCQASGLDF-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP CCOc1cccc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC001199865104 1369282728 /nfs/dbraw/zinc/28/27/28/1369282728.db2.gz OZQAYYMLCGWZGY-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP CC[C@H](C(=O)N1CC[NH+](Cc2c(C)cccc2C)CC1)[NH+](CC)CC ZINC001113336671 1369357170 /nfs/dbraw/zinc/35/71/70/1369357170.db2.gz HWMJAKTYQWSUNA-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC[C@@H](C(=O)N1CC[NH+](Cc2c(C)cccc2C)CC1)[NH+](CC)CC ZINC001113336670 1369357588 /nfs/dbraw/zinc/35/75/88/1369357588.db2.gz HWMJAKTYQWSUNA-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001200507747 1369382496 /nfs/dbraw/zinc/38/24/96/1369382496.db2.gz QKXARTHIYZHGFK-LIXSYLKWSA-N 2 1 335.536 3.186 20 0 EGADMP CCCCC[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001200645020 1369404932 /nfs/dbraw/zinc/40/49/32/1369404932.db2.gz XKEZNCPBBAHNJR-MRXNPFEDSA-N 2 1 334.508 3.167 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053808 1369472896 /nfs/dbraw/zinc/47/28/96/1369472896.db2.gz YFERDYJJUGBUEU-AEFFLSMTSA-N 2 1 346.519 3.023 20 0 EGADMP C[N@@H+](CC(=O)N1CCC([NH2+]CCCC2CCCC2)CC1)C1CCC1 ZINC001201066121 1369474466 /nfs/dbraw/zinc/47/44/66/1369474466.db2.gz FXDCJDAXGXDIGD-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCN(C(=O)CCC[NH+]3CCCC3)CC2)c1 ZINC001113679422 1369562602 /nfs/dbraw/zinc/56/26/02/1369562602.db2.gz SKVSEQLEVJVHOC-LJQANCHMSA-N 2 1 343.515 3.076 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001201528757 1369566966 /nfs/dbraw/zinc/56/69/66/1369566966.db2.gz ZNNDEMSFPHFLAE-HKBOAZHASA-N 2 1 344.547 3.494 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001201528757 1369566969 /nfs/dbraw/zinc/56/69/69/1369566969.db2.gz ZNNDEMSFPHFLAE-HKBOAZHASA-N 2 1 344.547 3.494 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001201528757 1369566972 /nfs/dbraw/zinc/56/69/72/1369566972.db2.gz ZNNDEMSFPHFLAE-HKBOAZHASA-N 2 1 344.547 3.494 20 0 EGADMP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001202144797 1369700371 /nfs/dbraw/zinc/70/03/71/1369700371.db2.gz JLNPFNXQQQZIEE-QWNKOJSDSA-N 2 1 335.536 3.045 20 0 EGADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001202395978 1369759493 /nfs/dbraw/zinc/75/94/93/1369759493.db2.gz RIZYOHPLKDYOKI-HZPDHXFCSA-N 2 1 334.426 3.009 20 0 EGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001202395978 1369759497 /nfs/dbraw/zinc/75/94/97/1369759497.db2.gz RIZYOHPLKDYOKI-HZPDHXFCSA-N 2 1 334.426 3.009 20 0 EGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001202395978 1369759498 /nfs/dbraw/zinc/75/94/98/1369759498.db2.gz RIZYOHPLKDYOKI-HZPDHXFCSA-N 2 1 334.426 3.009 20 0 EGADMP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](CC1CCOCC1)CC2 ZINC001202567008 1369808102 /nfs/dbraw/zinc/80/81/02/1369808102.db2.gz KOEUGCBHDMBWIJ-UHFFFAOYSA-N 2 1 347.503 3.148 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3CC[N@H+](CCC4CCOCC4)C[C@H]3C2)cc1 ZINC001202668455 1369843656 /nfs/dbraw/zinc/84/36/56/1369843656.db2.gz MPSWWUVUPBZAEP-RTWAWAEBSA-N 2 1 328.500 3.257 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001202771294 1369885817 /nfs/dbraw/zinc/88/58/17/1369885817.db2.gz ALNLVBXIEBWNQS-IBGZPJMESA-N 2 1 337.552 3.410 20 0 EGADMP CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001202772978 1369886690 /nfs/dbraw/zinc/88/66/90/1369886690.db2.gz VZPKQUQITGCEHQ-IBGZPJMESA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001202862862 1369911004 /nfs/dbraw/zinc/91/10/04/1369911004.db2.gz HHYHFQJKUANGDD-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001202872517 1369914111 /nfs/dbraw/zinc/91/41/11/1369914111.db2.gz HGBSIYUHDIFCEJ-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CCC1(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)COC1 ZINC001202958653 1369936604 /nfs/dbraw/zinc/93/66/04/1369936604.db2.gz TXKGQWUTKCFAEC-DFQSSKMNSA-N 2 1 343.515 3.041 20 0 EGADMP CCC1(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)COC1 ZINC001202958653 1369936607 /nfs/dbraw/zinc/93/66/07/1369936607.db2.gz TXKGQWUTKCFAEC-DFQSSKMNSA-N 2 1 343.515 3.041 20 0 EGADMP CCC1(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)COC1 ZINC001202958653 1369936608 /nfs/dbraw/zinc/93/66/08/1369936608.db2.gz TXKGQWUTKCFAEC-DFQSSKMNSA-N 2 1 343.515 3.041 20 0 EGADMP CCC1(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)COC1 ZINC001202958653 1369936610 /nfs/dbraw/zinc/93/66/10/1369936610.db2.gz TXKGQWUTKCFAEC-DFQSSKMNSA-N 2 1 343.515 3.041 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C12CCC2)C1CCC1 ZINC001203044575 1369965229 /nfs/dbraw/zinc/96/52/29/1369965229.db2.gz MTYNZYLWGUVTQO-OALUTQOASA-N 2 1 347.547 3.068 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)[nH]n1 ZINC001203071844 1369973328 /nfs/dbraw/zinc/97/33/28/1369973328.db2.gz OYZIBWDPUNAYEH-SFHVURJKSA-N 2 1 328.460 3.188 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)n[nH]1 ZINC001203071844 1369973331 /nfs/dbraw/zinc/97/33/31/1369973331.db2.gz OYZIBWDPUNAYEH-SFHVURJKSA-N 2 1 328.460 3.188 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)n[nH]1 ZINC001203071844 1369973335 /nfs/dbraw/zinc/97/33/35/1369973335.db2.gz OYZIBWDPUNAYEH-SFHVURJKSA-N 2 1 328.460 3.188 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203100879 1369983261 /nfs/dbraw/zinc/98/32/61/1369983261.db2.gz BCZZQYLDDPBMIJ-QZTJIDSGSA-N 2 1 347.547 3.234 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203102239 1369983579 /nfs/dbraw/zinc/98/35/79/1369983579.db2.gz HDSVVNXOWCIJEP-CVEARBPZSA-N 2 1 337.552 3.170 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(CO)cc4)C[C@H]3C2)cc1 ZINC001203182692 1370014707 /nfs/dbraw/zinc/01/47/07/1370014707.db2.gz DTDLCBLNHSSECJ-FGZHOGPDSA-N 2 1 336.479 3.051 20 0 EGADMP CC[NH+](CC)CCn1cc(Nc2cccn3c(C)c(C)[nH+]c23)cn1 ZINC001203256775 1370044851 /nfs/dbraw/zinc/04/48/51/1370044851.db2.gz RRIMBNPDTZUIOL-UHFFFAOYSA-N 2 1 326.448 3.233 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCC(C)C)C1)c1ccccc1 ZINC001187034757 1388043374 /nfs/dbraw/zinc/04/33/74/1388043374.db2.gz NJCAEUSFIJXTJY-WOJBJXKFSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203419782 1370118893 /nfs/dbraw/zinc/11/88/93/1370118893.db2.gz NKBDVGKTTBFULQ-IRXDYDNUSA-N 2 1 349.563 3.172 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C12CCC2 ZINC001203507014 1370148260 /nfs/dbraw/zinc/14/82/60/1370148260.db2.gz MUOIOBCLKZOIJX-MOPGFXCFSA-N 2 1 349.563 3.316 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001114920736 1370149656 /nfs/dbraw/zinc/14/96/56/1370149656.db2.gz AAMOKTNHHPRCFL-ZMCJARLASA-N 2 1 347.547 3.044 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCC3CCCC3)C[C@H]21 ZINC001114981736 1370190541 /nfs/dbraw/zinc/19/05/41/1370190541.db2.gz ALSFXBWFUFDXLN-KXTWHKPSSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC001114981736 1370190542 /nfs/dbraw/zinc/19/05/42/1370190542.db2.gz ALSFXBWFUFDXLN-KXTWHKPSSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001114981736 1370190544 /nfs/dbraw/zinc/19/05/44/1370190544.db2.gz ALSFXBWFUFDXLN-KXTWHKPSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203632776 1370194513 /nfs/dbraw/zinc/19/45/13/1370194513.db2.gz VGUJYPFTBVQBJJ-JNVNVXKGSA-N 2 1 349.563 3.482 20 0 EGADMP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203641170 1370198280 /nfs/dbraw/zinc/19/82/80/1370198280.db2.gz ORXBLIXZWVRBHL-ROUUACIJSA-N 2 1 337.552 3.316 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)cc1C)C2 ZINC001203732772 1370239798 /nfs/dbraw/zinc/23/97/98/1370239798.db2.gz WXKLUKWBDHGIAG-VXKWHMMOSA-N 2 1 342.527 3.484 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C)cc1C)C2 ZINC001203732772 1370239802 /nfs/dbraw/zinc/23/98/02/1370239802.db2.gz WXKLUKWBDHGIAG-VXKWHMMOSA-N 2 1 342.527 3.484 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C)cc1C)C2 ZINC001203732772 1370239806 /nfs/dbraw/zinc/23/98/06/1370239806.db2.gz WXKLUKWBDHGIAG-VXKWHMMOSA-N 2 1 342.527 3.484 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203794248 1370268314 /nfs/dbraw/zinc/26/83/14/1370268314.db2.gz WFWNCDGKGWBLDM-IRXDYDNUSA-N 2 1 337.552 3.170 20 0 EGADMP Clc1cccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001203798611 1370269747 /nfs/dbraw/zinc/26/97/47/1370269747.db2.gz AFWDMOJBXKTKRC-UHFFFAOYSA-N 2 1 344.890 3.191 20 0 EGADMP Clc1cccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001203798611 1370269750 /nfs/dbraw/zinc/26/97/50/1370269750.db2.gz AFWDMOJBXKTKRC-UHFFFAOYSA-N 2 1 344.890 3.191 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC001115111775 1370285915 /nfs/dbraw/zinc/28/59/15/1370285915.db2.gz XOAGSLGSOBDYEJ-KXTWHKPSSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203910331 1370310770 /nfs/dbraw/zinc/31/07/70/1370310770.db2.gz GGLNHAAUCITVMI-PRPIBZDOSA-N 2 1 343.515 3.226 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]CCCCCF)CC1)c1ccccc1 ZINC001203911125 1370311483 /nfs/dbraw/zinc/31/14/83/1370311483.db2.gz UCVSXTTUOBTDKM-LJQANCHMSA-N 2 1 349.494 3.010 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]21 ZINC001204060923 1370364437 /nfs/dbraw/zinc/36/44/37/1370364437.db2.gz JDCFHPURENSYRZ-JRGCBEDISA-N 2 1 336.483 3.209 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]21 ZINC001204060923 1370364441 /nfs/dbraw/zinc/36/44/41/1370364441.db2.gz JDCFHPURENSYRZ-JRGCBEDISA-N 2 1 336.483 3.209 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC001204060923 1370364448 /nfs/dbraw/zinc/36/44/48/1370364448.db2.gz JDCFHPURENSYRZ-JRGCBEDISA-N 2 1 336.483 3.209 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC001204060923 1370364450 /nfs/dbraw/zinc/36/44/50/1370364450.db2.gz JDCFHPURENSYRZ-JRGCBEDISA-N 2 1 336.483 3.209 20 0 EGADMP c1csc(C[N@H+]2CCOC3(CC[NH+](Cc4ccncc4)CC3)C2)c1 ZINC001204079369 1370370537 /nfs/dbraw/zinc/37/05/37/1370370537.db2.gz OBRYOGAHPUBFHF-UHFFFAOYSA-N 2 1 343.496 3.010 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C)cc1)C2 ZINC001204172090 1370398744 /nfs/dbraw/zinc/39/87/44/1370398744.db2.gz RUPGJWAEZUAKCG-RTWAWAEBSA-N 2 1 328.500 3.175 20 0 EGADMP COc1cccc(OC)c1C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001204248851 1370421697 /nfs/dbraw/zinc/42/16/97/1370421697.db2.gz GXZUHPPWZZBFHG-UHFFFAOYSA-N 2 1 341.455 3.146 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)Cc2cccc(O)c2)cc1 ZINC001204263156 1370425433 /nfs/dbraw/zinc/42/54/33/1370425433.db2.gz HIQCOBJTSPHPQX-UHFFFAOYSA-N 2 1 328.456 3.355 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)cc1 ZINC001204264682 1370426361 /nfs/dbraw/zinc/42/63/61/1370426361.db2.gz WGQIZDOJVHPXIJ-MSOLQXFVSA-N 2 1 326.431 3.289 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)cc1 ZINC001204264682 1370426366 /nfs/dbraw/zinc/42/63/66/1370426366.db2.gz WGQIZDOJVHPXIJ-MSOLQXFVSA-N 2 1 326.431 3.289 20 0 EGADMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(C(C)(C)C)cc1 ZINC001204397376 1370465956 /nfs/dbraw/zinc/46/59/56/1370465956.db2.gz KIETUKRMVZVEJC-UHFFFAOYSA-N 2 1 334.504 3.301 20 0 EGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(C)(C)C)cc1 ZINC001204397376 1370465959 /nfs/dbraw/zinc/46/59/59/1370465959.db2.gz KIETUKRMVZVEJC-UHFFFAOYSA-N 2 1 334.504 3.301 20 0 EGADMP CC(=O)n1cc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c2ccccc21 ZINC001204412761 1370469821 /nfs/dbraw/zinc/46/98/21/1370469821.db2.gz STGWTYBLIFETGV-UHFFFAOYSA-N 2 1 348.450 3.327 20 0 EGADMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)ccc1Br)CC2 ZINC001204543292 1370509456 /nfs/dbraw/zinc/50/94/56/1370509456.db2.gz ZDZADEQDHKAPIR-UHFFFAOYSA-N 2 1 327.241 3.116 20 0 EGADMP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115535487 1370532153 /nfs/dbraw/zinc/53/21/53/1370532153.db2.gz YAPLOYGIMOWHNU-DLBZAZTESA-N 2 1 341.515 3.016 20 0 EGADMP COC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001204665212 1370540337 /nfs/dbraw/zinc/54/03/37/1370540337.db2.gz CDQHZMYHGWQAHB-IBGZPJMESA-N 2 1 330.472 3.314 20 0 EGADMP COC(=O)c1cccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001204665212 1370540339 /nfs/dbraw/zinc/54/03/39/1370540339.db2.gz CDQHZMYHGWQAHB-IBGZPJMESA-N 2 1 330.472 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC001115562642 1370562450 /nfs/dbraw/zinc/56/24/50/1370562450.db2.gz DJWXJPDKGWRMIP-AYAUWGRQSA-N 2 1 341.927 3.022 20 0 EGADMP Cc1cc(-c2cccc(Cl)c2)ncc1C[N@@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204754781 1370567084 /nfs/dbraw/zinc/56/70/84/1370567084.db2.gz AHUAIMFUSVIODP-GOSISDBHSA-N 2 1 345.874 3.260 20 0 EGADMP Cc1cc(-c2cccc(Cl)c2)ncc1C[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204754781 1370567085 /nfs/dbraw/zinc/56/70/85/1370567085.db2.gz AHUAIMFUSVIODP-GOSISDBHSA-N 2 1 345.874 3.260 20 0 EGADMP Cc1ccccc1N(C)c1ccc(C[N@@H+]2CCO[C@@H](CC[NH3+])C2)cc1 ZINC001204756666 1370567803 /nfs/dbraw/zinc/56/78/03/1370567803.db2.gz ROPASIITWRNTFV-FQEVSTJZSA-N 2 1 339.483 3.313 20 0 EGADMP Cc1ccccc1N(C)c1ccc(C[N@H+]2CCO[C@@H](CC[NH3+])C2)cc1 ZINC001204756666 1370567808 /nfs/dbraw/zinc/56/78/08/1370567808.db2.gz ROPASIITWRNTFV-FQEVSTJZSA-N 2 1 339.483 3.313 20 0 EGADMP CN(c1ccc(C[N@@H+]2CCO[C@@H](CC[NH3+])C2)cc1)c1ccccc1F ZINC001204755335 1370568047 /nfs/dbraw/zinc/56/80/47/1370568047.db2.gz GOVOHQGWKDNWOY-SFHVURJKSA-N 2 1 343.446 3.143 20 0 EGADMP CN(c1ccc(C[N@H+]2CCO[C@@H](CC[NH3+])C2)cc1)c1ccccc1F ZINC001204755335 1370568057 /nfs/dbraw/zinc/56/80/57/1370568057.db2.gz GOVOHQGWKDNWOY-SFHVURJKSA-N 2 1 343.446 3.143 20 0 EGADMP Cc1cccc(N(C)c2ccc(C[N@@H+]3CCO[C@H](CC[NH3+])C3)cc2)c1 ZINC001204757526 1370568678 /nfs/dbraw/zinc/56/86/78/1370568678.db2.gz ZDVRJVPIINZGGG-OAQYLSRUSA-N 2 1 339.483 3.313 20 0 EGADMP Cc1cccc(N(C)c2ccc(C[N@H+]3CCO[C@H](CC[NH3+])C3)cc2)c1 ZINC001204757526 1370568683 /nfs/dbraw/zinc/56/86/83/1370568683.db2.gz ZDVRJVPIINZGGG-OAQYLSRUSA-N 2 1 339.483 3.313 20 0 EGADMP Cc1cc(C[N@@H+]2CCO[C@@H](CC[NH3+])C2)ccc1Oc1ccccc1 ZINC001204757277 1370568805 /nfs/dbraw/zinc/56/88/05/1370568805.db2.gz XTNNEHWJWKJSHU-IBGZPJMESA-N 2 1 326.440 3.337 20 0 EGADMP Cc1cc(C[N@H+]2CCO[C@@H](CC[NH3+])C2)ccc1Oc1ccccc1 ZINC001204757277 1370568808 /nfs/dbraw/zinc/56/88/08/1370568808.db2.gz XTNNEHWJWKJSHU-IBGZPJMESA-N 2 1 326.440 3.337 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001115591778 1370592383 /nfs/dbraw/zinc/59/23/83/1370592383.db2.gz DMQSXNBLJWPDMI-MSOLQXFVSA-N 2 1 335.536 3.068 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001115591724 1370592577 /nfs/dbraw/zinc/59/25/77/1370592577.db2.gz BLEWAPZCUJXMSJ-MSOLQXFVSA-N 2 1 335.536 3.212 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001204889463 1370597609 /nfs/dbraw/zinc/59/76/09/1370597609.db2.gz LPWFXTYFWVHKOI-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115598596 1370598930 /nfs/dbraw/zinc/59/89/30/1370598930.db2.gz UQTWJQOLOHRKQY-LJQANCHMSA-N 2 1 347.547 3.380 20 0 EGADMP C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001204896572 1370599754 /nfs/dbraw/zinc/59/97/54/1370599754.db2.gz MLSNIDFWNORZFN-MOPGFXCFSA-N 2 1 349.522 3.427 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@@H](C)CN1Cc1ccccc1 ZINC001204896572 1370599757 /nfs/dbraw/zinc/59/97/57/1370599757.db2.gz MLSNIDFWNORZFN-MOPGFXCFSA-N 2 1 349.522 3.427 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@@H](C)CN1Cc1ccccc1 ZINC001204896572 1370599762 /nfs/dbraw/zinc/59/97/62/1370599762.db2.gz MLSNIDFWNORZFN-MOPGFXCFSA-N 2 1 349.522 3.427 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1([NH2+]CCCCCF)CCCCC1 ZINC001115601536 1370601105 /nfs/dbraw/zinc/60/11/05/1370601105.db2.gz FZUHNPPYEKTYAS-UHFFFAOYSA-N 2 1 343.531 3.265 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CCCCC1 ZINC001115611529 1370610609 /nfs/dbraw/zinc/61/06/09/1370610609.db2.gz MBNDRGIYMPUTPA-GOSISDBHSA-N 2 1 337.552 3.316 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115630731 1370623704 /nfs/dbraw/zinc/62/37/04/1370623704.db2.gz WYLZDNHLCUZGOW-UHFFFAOYSA-N 2 1 334.508 3.036 20 0 EGADMP [NH3+][C@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(OC(F)F)c2)CC1 ZINC001205110134 1370652810 /nfs/dbraw/zinc/65/28/10/1370652810.db2.gz PHXTULXFNSYCTR-NSHDSACASA-N 2 1 336.329 3.203 20 0 EGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(OC(F)F)c2)CC1 ZINC001205110134 1370652813 /nfs/dbraw/zinc/65/28/13/1370652813.db2.gz PHXTULXFNSYCTR-NSHDSACASA-N 2 1 336.329 3.203 20 0 EGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3cc(Br)cnc3c2)CC1 ZINC001205116490 1370655061 /nfs/dbraw/zinc/65/50/61/1370655061.db2.gz AGWSPLSBWZKYPL-OAHLLOKOSA-N 2 1 334.261 3.311 20 0 EGADMP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2NC(=O)C(C)(C)C)C[C@H]1C[NH3+] ZINC001205156120 1370665782 /nfs/dbraw/zinc/66/57/82/1370665782.db2.gz PAMSLGMQPLHJDY-GXTWGEPZSA-N 2 1 337.895 3.351 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2NC(=O)C(C)(C)C)C[C@H]1C[NH3+] ZINC001205156120 1370665783 /nfs/dbraw/zinc/66/57/83/1370665783.db2.gz PAMSLGMQPLHJDY-GXTWGEPZSA-N 2 1 337.895 3.351 20 0 EGADMP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692741 1370673827 /nfs/dbraw/zinc/67/38/27/1370673827.db2.gz ZXCMIERVONTLOA-WLMAVBAVSA-N 2 1 349.563 3.482 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692587 1370673872 /nfs/dbraw/zinc/67/38/72/1370673872.db2.gz WZESZZHNEQQMGP-ROUUACIJSA-N 2 1 335.536 3.092 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2sccc2Oc2ccccc2)CC1 ZINC001205228647 1370689093 /nfs/dbraw/zinc/68/90/93/1370689093.db2.gz GVCZWQPYXZJSBC-SFHVURJKSA-N 2 1 332.469 3.216 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001205241410 1370692491 /nfs/dbraw/zinc/69/24/91/1370692491.db2.gz DOMXUWAYIVJQSY-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(F)c(-c3ccccc3)c2)CC1 ZINC001205247378 1370694757 /nfs/dbraw/zinc/69/47/57/1370694757.db2.gz GHVVWCINDQEQBN-HXUWFJFHSA-N 2 1 328.431 3.168 20 0 EGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001205273043 1370702568 /nfs/dbraw/zinc/70/25/68/1370702568.db2.gz CREBNZQWWVHAHD-OAHLLOKOSA-N 2 1 326.366 3.285 20 0 EGADMP CCCCCC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115729737 1370712138 /nfs/dbraw/zinc/71/21/38/1370712138.db2.gz QSPWFSJOGNPFLR-GOSISDBHSA-N 2 1 337.552 3.317 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115729791 1370712154 /nfs/dbraw/zinc/71/21/54/1370712154.db2.gz SQIBNONIJPRPRG-QGZVFWFLSA-N 2 1 335.536 3.070 20 0 EGADMP CCCCCC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115729738 1370712174 /nfs/dbraw/zinc/71/21/74/1370712174.db2.gz QSPWFSJOGNPFLR-SFHVURJKSA-N 2 1 337.552 3.317 20 0 EGADMP CC(C)(C)OC(=O)C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001205317136 1370719257 /nfs/dbraw/zinc/71/92/57/1370719257.db2.gz MLVPLDIYKYNJTM-KRWDZBQOSA-N 2 1 332.488 3.220 20 0 EGADMP CC(C)(C)OC(=O)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001205317136 1370719259 /nfs/dbraw/zinc/71/92/59/1370719259.db2.gz MLVPLDIYKYNJTM-KRWDZBQOSA-N 2 1 332.488 3.220 20 0 EGADMP COc1cc(OC)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c2ccccc12 ZINC001205318347 1370719927 /nfs/dbraw/zinc/71/99/27/1370719927.db2.gz UJYYHMUTEGVXSA-LSDHHAIUSA-N 2 1 328.456 3.274 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCCCC1 ZINC001115760966 1370744860 /nfs/dbraw/zinc/74/48/60/1370744860.db2.gz ZXDSLAUNDGSDFU-SFHVURJKSA-N 2 1 337.552 3.458 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCCCC1 ZINC001115768923 1370753191 /nfs/dbraw/zinc/75/31/91/1370753191.db2.gz NHLPATATVYXDBN-RTBURBONSA-N 2 1 349.563 3.458 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001205464291 1370763315 /nfs/dbraw/zinc/76/33/15/1370763315.db2.gz NANIOQDDZCLGMD-XJDXJNMNSA-N 2 1 349.563 3.149 20 0 EGADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1)C1CCC1 ZINC001205469782 1370764935 /nfs/dbraw/zinc/76/49/35/1370764935.db2.gz XSPATTNCJHYJLK-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)CC1CCC1 ZINC001205506803 1370775010 /nfs/dbraw/zinc/77/50/10/1370775010.db2.gz HLYGOQFPBYGFDE-UHFFFAOYSA-N 2 1 332.488 3.020 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001205518778 1370778753 /nfs/dbraw/zinc/77/87/53/1370778753.db2.gz KNYJHQCHATWBCE-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1 ZINC001205526190 1370781463 /nfs/dbraw/zinc/78/14/63/1370781463.db2.gz ISDGRYQEDQLWLH-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CC1 ZINC001205591282 1370802644 /nfs/dbraw/zinc/80/26/44/1370802644.db2.gz JOUZRCOEFTUGRR-HNNXBMFYSA-N 2 1 344.356 3.235 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(OCc3ccccc3)cn2)CC1 ZINC001205591349 1370802944 /nfs/dbraw/zinc/80/29/44/1370802944.db2.gz KWFHOYXYKYOKQW-HXUWFJFHSA-N 2 1 343.446 3.314 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cccc(F)c2Br)CC[C@@H]1C[NH3+] ZINC001205616902 1370811827 /nfs/dbraw/zinc/81/18/27/1370811827.db2.gz HNIGPISZEHLTNB-NWDGAFQWSA-N 2 1 329.257 3.395 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(Cl)c1OC ZINC001205618688 1370812783 /nfs/dbraw/zinc/81/27/83/1370812783.db2.gz YEJQJQVQJZMNMS-QWHCGFSZSA-N 2 1 326.868 3.164 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC001116289412 1370879557 /nfs/dbraw/zinc/87/95/57/1370879557.db2.gz VQXKOFKHIBCXAZ-CVEARBPZSA-N 2 1 331.460 3.026 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@H]3CCc4c3cccc4F)CC2)CC1 ZINC001116348090 1370890352 /nfs/dbraw/zinc/89/03/52/1370890352.db2.gz MOHVVSJLYPOBHO-NRFANRHFSA-N 2 1 345.506 3.303 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205916276 1370909391 /nfs/dbraw/zinc/90/93/91/1370909391.db2.gz UJHTZKUMFNSABK-NWDGAFQWSA-N 2 1 332.366 3.153 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205916276 1370909394 /nfs/dbraw/zinc/90/93/94/1370909394.db2.gz UJHTZKUMFNSABK-NWDGAFQWSA-N 2 1 332.366 3.153 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1c[nH]c2c1cccc2Br ZINC001205917456 1370910429 /nfs/dbraw/zinc/91/04/29/1370910429.db2.gz YSMDMBGSWUKZGC-VXGBXAGGSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(Br)cc2F)CCC[C@H]1C[NH3+] ZINC001205991387 1370932073 /nfs/dbraw/zinc/93/20/73/1370932073.db2.gz ANNCCLSKIGCYPW-RYUDHWBXSA-N 2 1 329.257 3.395 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1OC(F)F ZINC001205992073 1370932234 /nfs/dbraw/zinc/93/22/34/1370932234.db2.gz DGDBBIZKTZGYEB-GXTWGEPZSA-N 2 1 328.403 3.103 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2c(C(F)(F)F)nc3sccn23)CCC[C@@H]1C[NH3+] ZINC001206013507 1370938046 /nfs/dbraw/zinc/93/80/46/1370938046.db2.gz RTQGSVKOBZXJOJ-GHMZBOCLSA-N 2 1 346.422 3.221 20 0 EGADMP CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001206023367 1370941348 /nfs/dbraw/zinc/94/13/48/1370941348.db2.gz OCHDSWYWJUIIAI-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206027300 1370942202 /nfs/dbraw/zinc/94/22/02/1370942202.db2.gz VUWJIZUTDMVLED-HUUCEWRRSA-N 2 1 332.879 3.333 20 0 EGADMP C[C@H]1C[N@H+](Cc2cc(Br)ncc2Cl)CCC[C@H]1C[NH3+] ZINC001206026298 1370942645 /nfs/dbraw/zinc/94/26/45/1370942645.db2.gz RJWFMOIXKJLUGY-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc(Br)ncc2Cl)CCC[C@H]1C[NH3+] ZINC001206026298 1370942650 /nfs/dbraw/zinc/94/26/50/1370942650.db2.gz RJWFMOIXKJLUGY-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(OC)c1Cl ZINC001206036611 1370945041 /nfs/dbraw/zinc/94/50/41/1370945041.db2.gz MFWNNVLMZTVRFV-OLZOCXBDSA-N 2 1 326.868 3.164 20 0 EGADMP [NH3+][C@H]1CC[N@H+](Cc2nccnc2-c2ccc(Cl)cc2)CC[C@H]1F ZINC001206187387 1370987237 /nfs/dbraw/zinc/98/72/37/1370987237.db2.gz SWUFTNCNZZZJDI-CABCVRRESA-N 2 1 334.826 3.058 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](Cc2nccnc2-c2ccc(Cl)cc2)CC[C@H]1F ZINC001206187387 1370987242 /nfs/dbraw/zinc/98/72/42/1370987242.db2.gz SWUFTNCNZZZJDI-CABCVRRESA-N 2 1 334.826 3.058 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc2c1NC(C)(C)C=C2 ZINC001206211428 1370994021 /nfs/dbraw/zinc/99/40/21/1370994021.db2.gz OLAWQLMSNIGDKR-CVEARBPZSA-N 2 1 333.451 3.174 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCc2ccccc2Br)CC1 ZINC001206293938 1371014136 /nfs/dbraw/zinc/01/41/36/1371014136.db2.gz HYUWGTKCTQAMHJ-INIZCTEOSA-N 2 1 325.294 3.443 20 0 EGADMP COc1ccc(-c2c(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)cnn2C)cc1 ZINC001206317256 1371020435 /nfs/dbraw/zinc/02/04/35/1371020435.db2.gz DNZHJNXQRZBANB-HXUWFJFHSA-N 2 1 342.487 3.047 20 0 EGADMP [NH3+]C[C@]1(F)CCCCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001206335883 1371026410 /nfs/dbraw/zinc/02/64/10/1371026410.db2.gz HUTNLCQZJZKKGF-VQTJNVASSA-N 2 1 333.495 3.194 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001206446189 1371057434 /nfs/dbraw/zinc/05/74/34/1371057434.db2.gz YZOWAKLSWVCCIY-UHFFFAOYSA-N 2 1 334.508 3.025 20 0 EGADMP C[C@]1(C[NH3+])CCCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206541814 1371087744 /nfs/dbraw/zinc/08/77/44/1371087744.db2.gz KUHNMQHHRJYLOO-OAQYLSRUSA-N 3 1 329.532 3.350 20 0 EGADMP C[C@]1(CN)CCCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206541814 1371087747 /nfs/dbraw/zinc/08/77/47/1371087747.db2.gz KUHNMQHHRJYLOO-OAQYLSRUSA-N 2 1 329.532 3.350 20 0 EGADMP C[C@]1(CN)CCCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206541814 1371087751 /nfs/dbraw/zinc/08/77/51/1371087751.db2.gz KUHNMQHHRJYLOO-OAQYLSRUSA-N 2 1 329.532 3.350 20 0 EGADMP COc1ccc(-c2c(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)cnn2C)cc1 ZINC001206565421 1371095639 /nfs/dbraw/zinc/09/56/39/1371095639.db2.gz SSHAMTXTHKWXTJ-HXUWFJFHSA-N 2 1 342.487 3.047 20 0 EGADMP Cc1cc(NC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc(C)[nH+]1 ZINC001117954430 1371113266 /nfs/dbraw/zinc/11/32/66/1371113266.db2.gz ABYGQMNYTFETSG-GOSISDBHSA-N 2 1 326.444 3.065 20 0 EGADMP Cc1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1C ZINC001206797121 1371170388 /nfs/dbraw/zinc/17/03/88/1371170388.db2.gz UPXRNXIYRRMICD-UXHICEINSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1ncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n1C ZINC001206797121 1371170390 /nfs/dbraw/zinc/17/03/90/1371170390.db2.gz UPXRNXIYRRMICD-UXHICEINSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1ncc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n1C ZINC001206797121 1371170399 /nfs/dbraw/zinc/17/03/99/1371170399.db2.gz UPXRNXIYRRMICD-UXHICEINSA-N 3 1 338.499 3.073 20 0 EGADMP CC(C)=CC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953600 1371243318 /nfs/dbraw/zinc/24/33/18/1371243318.db2.gz VJMPWLTYMUHELU-HXUWFJFHSA-N 2 1 343.515 3.084 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001206954924 1371244419 /nfs/dbraw/zinc/24/44/19/1371244419.db2.gz DHTDOXQSPCRHGO-WUYYXPQKSA-N 2 1 335.536 3.042 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001206954924 1371244424 /nfs/dbraw/zinc/24/44/24/1371244424.db2.gz DHTDOXQSPCRHGO-WUYYXPQKSA-N 2 1 335.536 3.042 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001206954924 1371244429 /nfs/dbraw/zinc/24/44/29/1371244429.db2.gz DHTDOXQSPCRHGO-WUYYXPQKSA-N 2 1 335.536 3.042 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001207008231 1371265385 /nfs/dbraw/zinc/26/53/85/1371265385.db2.gz VGGBJXLNRVEXGY-JFIYKMOQSA-N 2 1 346.519 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001207008231 1371265388 /nfs/dbraw/zinc/26/53/88/1371265388.db2.gz VGGBJXLNRVEXGY-JFIYKMOQSA-N 2 1 346.519 3.023 20 0 EGADMP O=c1[nH]cccc1C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001207010857 1371266345 /nfs/dbraw/zinc/26/63/45/1371266345.db2.gz YMBUJEGSLMEPAF-OAQYLSRUSA-N 2 1 337.467 3.275 20 0 EGADMP O=c1[nH]cccc1C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001207010857 1371266349 /nfs/dbraw/zinc/26/63/49/1371266349.db2.gz YMBUJEGSLMEPAF-OAQYLSRUSA-N 2 1 337.467 3.275 20 0 EGADMP O=c1[nH]cccc1C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001207010857 1371266352 /nfs/dbraw/zinc/26/63/52/1371266352.db2.gz YMBUJEGSLMEPAF-OAQYLSRUSA-N 2 1 337.467 3.275 20 0 EGADMP C[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207274759 1371347983 /nfs/dbraw/zinc/34/79/83/1371347983.db2.gz GCZDDAXLVJFMJD-JKSUJKDBSA-N 2 1 341.540 3.199 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001207280041 1371348458 /nfs/dbraw/zinc/34/84/58/1371348458.db2.gz LYMJHYNMZRCHRJ-XLIONFOSSA-N 2 1 331.504 3.150 20 0 EGADMP C[N@H+](CCCc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC001207318107 1371359521 /nfs/dbraw/zinc/35/95/21/1371359521.db2.gz PKAKDTSFLCBTSQ-UHFFFAOYSA-N 2 1 325.294 3.408 20 0 EGADMP C[N@@H+](CCCc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC001207318107 1371359526 /nfs/dbraw/zinc/35/95/26/1371359526.db2.gz PKAKDTSFLCBTSQ-UHFFFAOYSA-N 2 1 325.294 3.408 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001207337556 1371364206 /nfs/dbraw/zinc/36/42/06/1371364206.db2.gz TZSGWLXKONGTKT-KZNAEPCWSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001207337556 1371364212 /nfs/dbraw/zinc/36/42/12/1371364212.db2.gz TZSGWLXKONGTKT-KZNAEPCWSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001207337556 1371364213 /nfs/dbraw/zinc/36/42/13/1371364213.db2.gz TZSGWLXKONGTKT-KZNAEPCWSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001207398520 1371384397 /nfs/dbraw/zinc/38/43/97/1371384397.db2.gz WWRQDLJWRPJAKG-GHTZIAJQSA-N 2 1 329.532 3.171 20 0 EGADMP CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CCc3nccn3CC2)CC1 ZINC001207410951 1371387260 /nfs/dbraw/zinc/38/72/60/1371387260.db2.gz FJYBCCJTCSROTB-SFHVURJKSA-N 2 1 331.504 3.409 20 0 EGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001207410951 1371387261 /nfs/dbraw/zinc/38/72/61/1371387261.db2.gz FJYBCCJTCSROTB-SFHVURJKSA-N 2 1 331.504 3.409 20 0 EGADMP CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001207410951 1371387265 /nfs/dbraw/zinc/38/72/65/1371387265.db2.gz FJYBCCJTCSROTB-SFHVURJKSA-N 2 1 331.504 3.409 20 0 EGADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001207467510 1371404189 /nfs/dbraw/zinc/40/41/89/1371404189.db2.gz GCQHKBCJQINYOO-OAHLLOKOSA-N 2 1 345.874 3.437 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001207487155 1371410948 /nfs/dbraw/zinc/41/09/48/1371410948.db2.gz RDGVLGZITMQWRQ-QGZVFWFLSA-N 2 1 339.524 3.098 20 0 EGADMP COc1ccc(CCCN2CCC([N@@H+](C)C3CCOCC3)CC2)cc1 ZINC001207582505 1371442537 /nfs/dbraw/zinc/44/25/37/1371442537.db2.gz HHVYSTYFSXMYSV-UHFFFAOYSA-N 2 1 346.515 3.203 20 0 EGADMP COc1ccc(CCC[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)cc1 ZINC001207582505 1371442541 /nfs/dbraw/zinc/44/25/41/1371442541.db2.gz HHVYSTYFSXMYSV-UHFFFAOYSA-N 2 1 346.515 3.203 20 0 EGADMP COc1ccc(CCC[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)cc1 ZINC001207582505 1371442547 /nfs/dbraw/zinc/44/25/47/1371442547.db2.gz HHVYSTYFSXMYSV-UHFFFAOYSA-N 2 1 346.515 3.203 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001119989410 1371444687 /nfs/dbraw/zinc/44/46/87/1371444687.db2.gz LENWBUZLRSMOBD-IBGZPJMESA-N 2 1 349.563 3.460 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCC1([NH2+]CCF)CCCCC1)c1ccccc1 ZINC001119993447 1371446234 /nfs/dbraw/zinc/44/62/34/1371446234.db2.gz KKOAJBJMSFRFFZ-SFHVURJKSA-N 2 1 349.494 3.058 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3conc3Cc3ccccc3)C[C@H]2C1 ZINC001120072285 1371478500 /nfs/dbraw/zinc/47/85/00/1371478500.db2.gz SOJLICJXMPDEBI-QWFCFKBJSA-N 2 1 339.483 3.428 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001120189478 1371502900 /nfs/dbraw/zinc/50/29/00/1371502900.db2.gz KJLUYRHOJNETLU-CALCHBBNSA-N 2 1 335.536 3.068 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001120207902 1371505593 /nfs/dbraw/zinc/50/55/93/1371505593.db2.gz LHZCTQTXHOTQCU-SFHVURJKSA-N 2 1 335.536 3.070 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120431259 1371574625 /nfs/dbraw/zinc/57/46/25/1371574625.db2.gz QXJPJPJTTGSAHV-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431718 1371574745 /nfs/dbraw/zinc/57/47/45/1371574745.db2.gz WAPRNQUCJTWHKJ-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001120431718 1371574751 /nfs/dbraw/zinc/57/47/51/1371574751.db2.gz WAPRNQUCJTWHKJ-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001120431718 1371574753 /nfs/dbraw/zinc/57/47/53/1371574753.db2.gz WAPRNQUCJTWHKJ-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CCCC2CCC2)C1 ZINC001120432217 1371575681 /nfs/dbraw/zinc/57/56/81/1371575681.db2.gz ZATVEEKRJCOZIE-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CC2CCCC2)C1 ZINC001120440085 1371578218 /nfs/dbraw/zinc/57/82/18/1371578218.db2.gz KYIQBCXJNPCOTA-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC2CCCC2)C1 ZINC001120440085 1371578221 /nfs/dbraw/zinc/57/82/21/1371578221.db2.gz KYIQBCXJNPCOTA-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC2CCCC2)C1 ZINC001120440085 1371578224 /nfs/dbraw/zinc/57/82/24/1371578224.db2.gz KYIQBCXJNPCOTA-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208048696 1371580198 /nfs/dbraw/zinc/58/01/98/1371580198.db2.gz JVYXEBVHLKKRLC-RTBURBONSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120459996 1371584121 /nfs/dbraw/zinc/58/41/21/1371584121.db2.gz OMUKOEDPZPBNBZ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([C@H]2CCC[NH+]2CC2CCCC2)C1 ZINC001120469611 1371588328 /nfs/dbraw/zinc/58/83/28/1371588328.db2.gz LDAIZCMNZURLIB-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC2CCCC2)C1 ZINC001120469611 1371588331 /nfs/dbraw/zinc/58/83/31/1371588331.db2.gz LDAIZCMNZURLIB-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC2CCCC2)C1 ZINC001120469611 1371588341 /nfs/dbraw/zinc/58/83/41/1371588341.db2.gz LDAIZCMNZURLIB-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP COc1ccccc1[C@H](O)C[N@@H+](CC1(C)CC[NH+](C)CC1)C(C)C ZINC001208108249 1371596623 /nfs/dbraw/zinc/59/66/23/1371596623.db2.gz CBHRGAXBQMLWJU-GOSISDBHSA-N 2 1 334.504 3.171 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)CC1 ZINC001208107925 1371597117 /nfs/dbraw/zinc/59/71/17/1371597117.db2.gz WZXQPEMJKQTPFP-NQIIRXRSSA-N 2 1 343.515 3.294 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208128750 1371603833 /nfs/dbraw/zinc/60/38/33/1371603833.db2.gz GLSWICVZRHEZGR-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208128750 1371603840 /nfs/dbraw/zinc/60/38/40/1371603840.db2.gz GLSWICVZRHEZGR-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208128750 1371603842 /nfs/dbraw/zinc/60/38/42/1371603842.db2.gz GLSWICVZRHEZGR-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+](C)CCN(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208128089 1371604155 /nfs/dbraw/zinc/60/41/55/1371604155.db2.gz UIVRBCYYFSRKNV-JOCHJYFZSA-N 2 1 337.511 3.325 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001208331059 1371720322 /nfs/dbraw/zinc/72/03/22/1371720322.db2.gz KDEQJHYOPFFFFM-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001208331194 1371720415 /nfs/dbraw/zinc/72/04/15/1371720415.db2.gz NIFXRQOLEOCABB-RLWBPELLSA-N 2 1 349.563 3.291 20 0 EGADMP CCc1ccccc1C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001208453315 1371771500 /nfs/dbraw/zinc/77/15/00/1371771500.db2.gz DRQLWMLWDSRIMB-IBGZPJMESA-N 2 1 345.531 3.060 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC001208589809 1371830486 /nfs/dbraw/zinc/83/04/86/1371830486.db2.gz YWXJRVTYQBEFSO-SFTDATJTSA-N 2 1 327.516 3.211 20 0 EGADMP CCC[NH+]1C[C@@H]2CN(C[C@H]3CCCC[N@H+]3Cc3ccccc3)C[C@H]2C1 ZINC001208592940 1371832779 /nfs/dbraw/zinc/83/27/79/1371832779.db2.gz ZLJPSEHADYRBPZ-YPAWHYETSA-N 2 1 341.543 3.315 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC001208598742 1371834621 /nfs/dbraw/zinc/83/46/21/1371834621.db2.gz WZGKPGVKOCQJDK-RDJZCZTQSA-N 2 1 339.524 3.096 20 0 EGADMP COC(=O)c1ccc(CC2CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC001208612575 1371840121 /nfs/dbraw/zinc/84/01/21/1371840121.db2.gz CGCCABCZHUEWHX-IBGZPJMESA-N 2 1 344.499 3.070 20 0 EGADMP COC(=O)c1ccc(CC2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC001208612576 1371840235 /nfs/dbraw/zinc/84/02/35/1371840235.db2.gz CGCCABCZHUEWHX-LJQANCHMSA-N 2 1 344.499 3.070 20 0 EGADMP C[N@H+]1CCC[C@@H](CN2CCC[C@]3(CC[NH+]3Cc3cccc(F)c3)C2)C1 ZINC001208609907 1371840310 /nfs/dbraw/zinc/84/03/10/1371840310.db2.gz XMGHONARGUQFOW-CTNGQTDRSA-N 2 1 345.506 3.208 20 0 EGADMP C[NH+]1CCC[C@@H](CN2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)C1 ZINC001208609907 1371840314 /nfs/dbraw/zinc/84/03/14/1371840314.db2.gz XMGHONARGUQFOW-CTNGQTDRSA-N 2 1 345.506 3.208 20 0 EGADMP C[NH+]1CCC[C@@H](CN2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)C1 ZINC001208609907 1371840321 /nfs/dbraw/zinc/84/03/21/1371840321.db2.gz XMGHONARGUQFOW-CTNGQTDRSA-N 2 1 345.506 3.208 20 0 EGADMP C[C@H](c1ccccc1)N(C[C@H]1CCC[N@@H+](C)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001208617974 1371843770 /nfs/dbraw/zinc/84/37/70/1371843770.db2.gz QTADEFLHNACPJU-XQBPLPMBSA-N 2 1 341.543 3.486 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC[C@H]([NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001208757474 1371885654 /nfs/dbraw/zinc/88/56/54/1371885654.db2.gz DXAXOZDWOBDTDN-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CC1CC(C[NH2+][C@@H]2CCCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001208760202 1371887373 /nfs/dbraw/zinc/88/73/73/1371887373.db2.gz XOOINMNVWUHULV-CTWPCTMYSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)CCc2ccc(OC)c(OC)c2)CC1 ZINC001208762423 1371887640 /nfs/dbraw/zinc/88/76/40/1371887640.db2.gz PSEGHEQZRIMHOG-UHFFFAOYSA-N 2 1 334.504 3.443 20 0 EGADMP CC[C@@H](CCC(=O)OC)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208795795 1371898820 /nfs/dbraw/zinc/89/88/20/1371898820.db2.gz GMARRRHUMVGLQO-ICSRJNTNSA-N 2 1 346.515 3.420 20 0 EGADMP CC[C@@H](CCC(=O)OC)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208795795 1371898824 /nfs/dbraw/zinc/89/88/24/1371898824.db2.gz GMARRRHUMVGLQO-ICSRJNTNSA-N 2 1 346.515 3.420 20 0 EGADMP CC[C@@H](CCC(=O)OC)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208795795 1371898831 /nfs/dbraw/zinc/89/88/31/1371898831.db2.gz GMARRRHUMVGLQO-ICSRJNTNSA-N 2 1 346.515 3.420 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001121232169 1371901661 /nfs/dbraw/zinc/90/16/61/1371901661.db2.gz AFQXFAPGOQEXKF-PMRGXDQWSA-N 2 1 349.563 3.172 20 0 EGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1Cc2ccccc2O1 ZINC001208961561 1371962476 /nfs/dbraw/zinc/96/24/76/1371962476.db2.gz GPDVPNWELFKIGZ-CTNGQTDRSA-N 2 1 336.479 3.444 20 0 EGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1Cc2ccccc2O1 ZINC001208961561 1371962480 /nfs/dbraw/zinc/96/24/80/1371962480.db2.gz GPDVPNWELFKIGZ-CTNGQTDRSA-N 2 1 336.479 3.444 20 0 EGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1Cc2ccccc2O1 ZINC001208961561 1371962487 /nfs/dbraw/zinc/96/24/87/1371962487.db2.gz GPDVPNWELFKIGZ-CTNGQTDRSA-N 2 1 336.479 3.444 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001209204724 1372038024 /nfs/dbraw/zinc/03/80/24/1372038024.db2.gz KRJCBIORQMNZKN-ASIGSXEYSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CCCC3OCCO3)C[C@@H]21 ZINC001209304981 1372064767 /nfs/dbraw/zinc/06/47/67/1372064767.db2.gz CEDQTXVOICDYBS-ZJOUEHCJSA-N 2 1 344.499 3.250 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](CCCC3OCCO3)C[C@@H]21 ZINC001209304981 1372064768 /nfs/dbraw/zinc/06/47/68/1372064768.db2.gz CEDQTXVOICDYBS-ZJOUEHCJSA-N 2 1 344.499 3.250 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](CCCC3OCCO3)C[C@@H]21 ZINC001209304981 1372064773 /nfs/dbraw/zinc/06/47/73/1372064773.db2.gz CEDQTXVOICDYBS-ZJOUEHCJSA-N 2 1 344.499 3.250 20 0 EGADMP CC(C)CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001121790803 1372081304 /nfs/dbraw/zinc/08/13/04/1372081304.db2.gz CUDXQQICAQBZMA-UHFFFAOYSA-N 2 1 337.552 3.027 20 0 EGADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](C[C@H]1C[C@@H]1C)CC2 ZINC001209417313 1372100359 /nfs/dbraw/zinc/10/03/59/1372100359.db2.gz VVMBCWSRHJDVPG-BBWFWOEESA-N 2 1 349.544 3.102 20 0 EGADMP COC[C@H](C)[N@H+](CCC[NH+]1CCCCC1)Cc1cccc(OC)c1 ZINC001209449809 1372108864 /nfs/dbraw/zinc/10/88/64/1372108864.db2.gz ACSWSEQGEHKWOS-SFHVURJKSA-N 2 1 334.504 3.408 20 0 EGADMP COC[C@H](C)[N@@H+](CCC[NH+]1CCCCC1)Cc1cccc(OC)c1 ZINC001209449809 1372108866 /nfs/dbraw/zinc/10/88/66/1372108866.db2.gz ACSWSEQGEHKWOS-SFHVURJKSA-N 2 1 334.504 3.408 20 0 EGADMP COC(=O)C[C@H](C)[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC001209452137 1372108982 /nfs/dbraw/zinc/10/89/82/1372108982.db2.gz FEWRBWWUADNWFP-SFHVURJKSA-N 2 1 332.488 3.316 20 0 EGADMP Clc1cccc(OC2CC[NH+](CCC[NH+]3CCCCC3)CC2)n1 ZINC001209452062 1372109622 /nfs/dbraw/zinc/10/96/22/1372109622.db2.gz AKCMHYPGHSDUSM-UHFFFAOYSA-N 2 1 337.895 3.454 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001209478176 1372117651 /nfs/dbraw/zinc/11/76/51/1372117651.db2.gz PYPCPLRIMMGBKV-YLJYHZDGSA-N 2 1 345.531 3.235 20 0 EGADMP CC(C)C[C@](C)(C[NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001121916356 1372122226 /nfs/dbraw/zinc/12/22/26/1372122226.db2.gz WPKHWWLOLPTFRN-CMKODMSKSA-N 2 1 337.552 3.111 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001209509516 1372124602 /nfs/dbraw/zinc/12/46/02/1372124602.db2.gz JSZOYAMOMQUDHX-OAQYLSRUSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001209509516 1372124603 /nfs/dbraw/zinc/12/46/03/1372124603.db2.gz JSZOYAMOMQUDHX-OAQYLSRUSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001209509516 1372124605 /nfs/dbraw/zinc/12/46/05/1372124605.db2.gz JSZOYAMOMQUDHX-OAQYLSRUSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001209509516 1372124607 /nfs/dbraw/zinc/12/46/07/1372124607.db2.gz JSZOYAMOMQUDHX-OAQYLSRUSA-N 2 1 341.499 3.491 20 0 EGADMP Cn1nc2ccccc2c1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001209540119 1372131854 /nfs/dbraw/zinc/13/18/54/1372131854.db2.gz POTARNQNYNEYCF-IRXDYDNUSA-N 2 1 326.488 3.412 20 0 EGADMP Cn1nc2ccccc2c1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001209540119 1372131855 /nfs/dbraw/zinc/13/18/55/1372131855.db2.gz POTARNQNYNEYCF-IRXDYDNUSA-N 2 1 326.488 3.412 20 0 EGADMP Cn1nc2ccccc2c1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001209540119 1372131858 /nfs/dbraw/zinc/13/18/58/1372131858.db2.gz POTARNQNYNEYCF-IRXDYDNUSA-N 2 1 326.488 3.412 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(N3CCCC3)nc2)CC1 ZINC001209624169 1372153940 /nfs/dbraw/zinc/15/39/40/1372153940.db2.gz YROUNBYEOHZICO-UHFFFAOYSA-N 2 1 330.520 3.234 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cnc(Cl)cc2C)CC1 ZINC001209628607 1372155477 /nfs/dbraw/zinc/15/54/77/1372155477.db2.gz GEGFZPXXEPPFME-UHFFFAOYSA-N 2 1 330.863 3.486 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001209632929 1372156883 /nfs/dbraw/zinc/15/68/83/1372156883.db2.gz PETJWGUVXUFHNS-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001122106331 1372175600 /nfs/dbraw/zinc/17/56/00/1372175600.db2.gz FXFAFAFFDCSXDE-UHFFFAOYSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)CN1c2ccccc2[C@@H]2C[N@@H+](Cc3c[nH+]ccc3N)CC[C@@H]21 ZINC001209733662 1372179644 /nfs/dbraw/zinc/17/96/44/1372179644.db2.gz HMZHXLRZCZGCPD-RXVVDRJESA-N 2 1 336.483 3.328 20 0 EGADMP CC(C)CN1c2ccccc2[C@@H]2C[N@H+](Cc3c[nH+]ccc3N)CC[C@@H]21 ZINC001209733662 1372179649 /nfs/dbraw/zinc/17/96/49/1372179649.db2.gz HMZHXLRZCZGCPD-RXVVDRJESA-N 2 1 336.483 3.328 20 0 EGADMP [NH3+]CC[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c2ccccc21 ZINC001122194143 1372198685 /nfs/dbraw/zinc/19/86/85/1372198685.db2.gz NWLVMAHRHIUFJN-RXVVDRJESA-N 2 1 349.478 3.130 20 0 EGADMP CCCC[NH2+]C1CC2(CC(NC(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001122249743 1372211778 /nfs/dbraw/zinc/21/17/78/1372211778.db2.gz VRKHPKJGHSMUES-FCOWATRHSA-N 2 1 343.515 3.106 20 0 EGADMP CC[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209930666 1372233719 /nfs/dbraw/zinc/23/37/19/1372233719.db2.gz DBAGQWDENGRSJJ-IAGOWNOFSA-N 2 1 334.508 3.023 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209931243 1372234203 /nfs/dbraw/zinc/23/42/03/1372234203.db2.gz JBFOMZHFQVQKRT-GOSISDBHSA-N 2 1 348.535 3.413 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]C[C@H](C)CC)C1 ZINC001210181055 1372289767 /nfs/dbraw/zinc/28/97/67/1372289767.db2.gz AYOUGIQJRPFJMJ-MSOLQXFVSA-N 2 1 325.541 3.125 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](CN3CC[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001210196970 1372291870 /nfs/dbraw/zinc/29/18/70/1372291870.db2.gz TULHRMYLZREUNM-IFMALSPDSA-N 2 1 335.495 3.155 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC001326445503 1388190670 /nfs/dbraw/zinc/19/06/70/1388190670.db2.gz WZQMUUXPKNFUKT-LZWOXQAQSA-N 2 1 336.549 3.247 20 0 EGADMP Fc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(Cl)nc1Cl ZINC001210262670 1372308505 /nfs/dbraw/zinc/30/85/05/1372308505.db2.gz MFJAUMFXGMTGPA-UHFFFAOYSA-N 2 1 342.205 3.076 20 0 EGADMP c1ccc(Oc2cccnc2Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1 ZINC001210262407 1372308536 /nfs/dbraw/zinc/30/85/36/1372308536.db2.gz ZYZAHYKDXWDONY-UHFFFAOYSA-N 2 1 347.422 3.422 20 0 EGADMP CC(C)COc1cccc(F)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210271504 1372311745 /nfs/dbraw/zinc/31/17/45/1372311745.db2.gz QOSRYXOXYYBPCM-UHFFFAOYSA-N 2 1 344.434 3.409 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210416159 1372346944 /nfs/dbraw/zinc/34/69/44/1372346944.db2.gz JGTDGSGGDXPOKY-MISYRCLQSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1C ZINC001210486250 1372364400 /nfs/dbraw/zinc/36/44/00/1372364400.db2.gz RBBFQZLPNIVSMW-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1C ZINC001210486250 1372364403 /nfs/dbraw/zinc/36/44/03/1372364403.db2.gz RBBFQZLPNIVSMW-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1C ZINC001210486250 1372364405 /nfs/dbraw/zinc/36/44/05/1372364405.db2.gz RBBFQZLPNIVSMW-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]C/C=C\Cl)C1)c1ccccc1 ZINC001210645792 1372398740 /nfs/dbraw/zinc/39/87/40/1372398740.db2.gz UPPSNDLULGPQPW-LPUZSPFPSA-N 2 1 349.906 3.013 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211269985 1372517492 /nfs/dbraw/zinc/51/74/92/1372517492.db2.gz WWTDVRGWZUZUEG-UXHICEINSA-N 2 1 345.531 3.306 20 0 EGADMP COc1ccc(F)c(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1 ZINC001212145405 1372664083 /nfs/dbraw/zinc/66/40/83/1372664083.db2.gz SQQRELBKDZTDAA-HNNXBMFYSA-N 2 1 336.411 3.052 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356466 1373118819 /nfs/dbraw/zinc/11/88/19/1373118819.db2.gz DCYWUAHIPRQFGF-ROUUACIJSA-N 2 1 337.552 3.029 20 0 EGADMP CCC/C=C\CC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357150 1373118909 /nfs/dbraw/zinc/11/89/09/1373118909.db2.gz SXFUHNKMDPCHLQ-PYTPGESOSA-N 2 1 335.536 3.093 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001215019697 1373157264 /nfs/dbraw/zinc/15/72/64/1373157264.db2.gz CNNSFYDFLGIEGV-RXOIRPBWSA-N 2 1 349.563 3.432 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001127675985 1373157708 /nfs/dbraw/zinc/15/77/08/1373157708.db2.gz XOZDGXVYZWSUDR-KRWDZBQOSA-N 2 1 348.535 3.463 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001215387904 1373204498 /nfs/dbraw/zinc/20/44/98/1373204498.db2.gz VPHIZXWVTNKQOS-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001129532267 1373394577 /nfs/dbraw/zinc/39/45/77/1373394577.db2.gz XQTIPLWAIVEYHP-MRXNPFEDSA-N 2 1 331.504 3.061 20 0 EGADMP O=C(NCC[NH2+]CCC1CCCCCC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130190410 1373471971 /nfs/dbraw/zinc/47/19/71/1373471971.db2.gz YRDCJTUATIQWAD-OALUTQOASA-N 2 1 335.536 3.070 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205442 1388263997 /nfs/dbraw/zinc/26/39/97/1388263997.db2.gz LXOORDNYIDBJAX-UVRCQCPESA-N 2 1 347.547 3.138 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001188205442 1388264003 /nfs/dbraw/zinc/26/40/03/1388264003.db2.gz LXOORDNYIDBJAX-UVRCQCPESA-N 2 1 347.547 3.138 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001188205442 1388264006 /nfs/dbraw/zinc/26/40/06/1388264006.db2.gz LXOORDNYIDBJAX-UVRCQCPESA-N 2 1 347.547 3.138 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001130306313 1373488472 /nfs/dbraw/zinc/48/84/72/1373488472.db2.gz VKGZMMKALBMMOM-OXQOHEQNSA-N 2 1 339.483 3.091 20 0 EGADMP Cc1ccc([C@@H]2C[C@@H]2c2nnc([C@@H]([NH3+])CCCC[NH+](C)C)o2)cc1 ZINC001217715604 1373493856 /nfs/dbraw/zinc/49/38/56/1373493856.db2.gz YQGZXMHBCDECIP-ULQDDVLXSA-N 2 1 328.460 3.381 20 0 EGADMP [NH3+]CC1CCC(c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)CC1 ZINC001217729548 1373496269 /nfs/dbraw/zinc/49/62/69/1373496269.db2.gz AFFWGNRCHAPRCC-VMWRSERWSA-N 2 1 340.471 3.292 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nnc(-c2ccc3c(c2)CCC3)o1 ZINC001217752014 1373498201 /nfs/dbraw/zinc/49/82/01/1373498201.db2.gz JIRNUSASAOIYLL-KRWDZBQOSA-N 2 1 328.460 3.393 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nnc(Cc2cccc(Cl)c2)o1 ZINC001217752483 1373498530 /nfs/dbraw/zinc/49/85/30/1373498530.db2.gz NTRLVJLFRLLGFD-HNNXBMFYSA-N 2 1 336.867 3.482 20 0 EGADMP c1ccc(C[N@@H+]2CCc3ccc(O[C@H]4CCC[NH2+]CC4)nc3C2)cc1 ZINC001217994822 1373529359 /nfs/dbraw/zinc/52/93/59/1373529359.db2.gz BNFSCNGRWQLNKT-IBGZPJMESA-N 2 1 337.467 3.161 20 0 EGADMP c1ccc(C[N@H+]2CCc3ccc(O[C@H]4CCC[NH2+]CC4)nc3C2)cc1 ZINC001217994822 1373529365 /nfs/dbraw/zinc/52/93/65/1373529365.db2.gz BNFSCNGRWQLNKT-IBGZPJMESA-N 2 1 337.467 3.161 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001130425314 1373533167 /nfs/dbraw/zinc/53/31/67/1373533167.db2.gz SZFLAICLQKKFIR-MRXNPFEDSA-N 2 1 341.499 3.337 20 0 EGADMP c1ccc(C[N@@H+]2CCc3nc(O[C@H]4C[C@H]5C[NH2+]C[C@H]5C4)ccc3C2)cc1 ZINC001218137010 1373567119 /nfs/dbraw/zinc/56/71/19/1373567119.db2.gz JRSUXLCKGLNDKN-ACDBMABISA-N 2 1 349.478 3.017 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(O[C@H]4C[C@H]5C[NH2+]C[C@H]5C4)ccc3C2)cc1 ZINC001218137010 1373567121 /nfs/dbraw/zinc/56/71/21/1373567121.db2.gz JRSUXLCKGLNDKN-ACDBMABISA-N 2 1 349.478 3.017 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001130708785 1373583452 /nfs/dbraw/zinc/58/34/52/1373583452.db2.gz HVOKAXNFPIQPEF-ICSRJNTNSA-N 2 1 345.531 3.191 20 0 EGADMP CC[C@@]1(c2cccc(OCCO[C@@H]3CC[NH2+]C3)c2)CCCC[N@@H+](C)C1 ZINC001218388286 1373605282 /nfs/dbraw/zinc/60/52/82/1373605282.db2.gz QGUXAMYBBMADPC-NHCUHLMSSA-N 2 1 346.515 3.207 20 0 EGADMP [NH3+]CCc1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc1 ZINC001218390318 1373605417 /nfs/dbraw/zinc/60/54/17/1373605417.db2.gz ITWIRAWOTGHEJP-IBGZPJMESA-N 2 1 328.431 3.370 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCCCCC)[C@@H]2C1 ZINC001221876632 1373800705 /nfs/dbraw/zinc/80/07/05/1373800705.db2.gz MFGMTJZMONKSOD-XCNZZXELSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001221876632 1373800709 /nfs/dbraw/zinc/80/07/09/1373800709.db2.gz MFGMTJZMONKSOD-XCNZZXELSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001221876632 1373800712 /nfs/dbraw/zinc/80/07/12/1373800712.db2.gz MFGMTJZMONKSOD-XCNZZXELSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222092299 1373816653 /nfs/dbraw/zinc/81/66/53/1373816653.db2.gz NJWRTLQUWJUMNJ-HXUWFJFHSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222092299 1373816658 /nfs/dbraw/zinc/81/66/58/1373816658.db2.gz NJWRTLQUWJUMNJ-HXUWFJFHSA-N 2 1 345.531 3.135 20 0 EGADMP CC1CCC(C[NH2+]CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001131815877 1373819170 /nfs/dbraw/zinc/81/91/70/1373819170.db2.gz XSPBQRNLYBOYCM-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815523 1373819260 /nfs/dbraw/zinc/81/92/60/1373819260.db2.gz HOWZNJWNTWEJMY-SFHVURJKSA-N 2 1 345.531 3.416 20 0 EGADMP C[N@@H+](CCC(=O)NCC[NH2+]CCC1CCCCC1)C1CCCCC1 ZINC001131815553 1373819823 /nfs/dbraw/zinc/81/98/23/1373819823.db2.gz ITHPRWUCJZEEGE-UHFFFAOYSA-N 2 1 337.552 3.317 20 0 EGADMP CC/C=C\CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001224795073 1375077180 /nfs/dbraw/zinc/07/71/80/1375077180.db2.gz CWQCNRICZKHOKA-QZPVUJMKSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCCC(C)(C)C ZINC001132105031 1375150018 /nfs/dbraw/zinc/15/00/18/1375150018.db2.gz AIOGSGXEAVBFFR-DLBZAZTESA-N 2 1 337.552 3.266 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132123460 1375158171 /nfs/dbraw/zinc/15/81/71/1375158171.db2.gz DUJWXBPGFNCGNN-XOIGSVRCSA-N 2 1 347.547 3.188 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](CCC2CCCC2)C1 ZINC001132153155 1375172800 /nfs/dbraw/zinc/17/28/00/1375172800.db2.gz NTASNLJIDYLYSC-WMZOPIPTSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2CCCC2)C1 ZINC001132153155 1375172805 /nfs/dbraw/zinc/17/28/05/1375172805.db2.gz NTASNLJIDYLYSC-WMZOPIPTSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC2CCCC2)C1 ZINC001132153155 1375172809 /nfs/dbraw/zinc/17/28/09/1375172809.db2.gz NTASNLJIDYLYSC-WMZOPIPTSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](CC2CC3(CCC3)C2)C1 ZINC001132154383 1375174371 /nfs/dbraw/zinc/17/43/71/1375174371.db2.gz ZWKJMJPNUSJNMG-WMZOPIPTSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CC3(CCC3)C2)C1 ZINC001132154383 1375174372 /nfs/dbraw/zinc/17/43/72/1375174372.db2.gz ZWKJMJPNUSJNMG-WMZOPIPTSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001132154383 1375174375 /nfs/dbraw/zinc/17/43/75/1375174375.db2.gz ZWKJMJPNUSJNMG-WMZOPIPTSA-N 2 1 349.563 3.266 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132174413 1375188795 /nfs/dbraw/zinc/18/87/95/1375188795.db2.gz UXOKTEJJVYBYOG-IMBPEULASA-N 2 1 340.471 3.273 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001226162267 1375213684 /nfs/dbraw/zinc/21/36/84/1375213684.db2.gz YRSVUCXZOYHDAA-GUDVDZBRSA-N 2 1 337.552 3.312 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CCCC(C)(C)C ZINC001132264810 1375254026 /nfs/dbraw/zinc/25/40/26/1375254026.db2.gz BUBRRNBFPYSWMF-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132265212 1375254171 /nfs/dbraw/zinc/25/41/71/1375254171.db2.gz JQCHMUXUMYVEAM-BTFXCVNISA-N 2 1 335.536 3.044 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC/C=C\c1ccccc1 ZINC001132277370 1375261167 /nfs/dbraw/zinc/26/11/67/1375261167.db2.gz GEAYPWXZTBUWSG-PJKWBFRZSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309831 1375288866 /nfs/dbraw/zinc/28/88/66/1375288866.db2.gz FDCLTJIEVVTBLW-ZWKOTPCHSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309831 1375288869 /nfs/dbraw/zinc/28/88/69/1375288869.db2.gz FDCLTJIEVVTBLW-ZWKOTPCHSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309831 1375288873 /nfs/dbraw/zinc/28/88/73/1375288873.db2.gz FDCLTJIEVVTBLW-ZWKOTPCHSA-N 2 1 339.568 3.370 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)C ZINC001226613809 1375292607 /nfs/dbraw/zinc/29/26/07/1375292607.db2.gz KUPUGPYSQVGCNX-GUDVDZBRSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132315416 1375293063 /nfs/dbraw/zinc/29/30/63/1375293063.db2.gz SWDPJYFURFFWSK-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132315416 1375293068 /nfs/dbraw/zinc/29/30/68/1375293068.db2.gz SWDPJYFURFFWSK-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132315416 1375293073 /nfs/dbraw/zinc/29/30/73/1375293073.db2.gz SWDPJYFURFFWSK-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](C/C=C/c2ccccc2)C1 ZINC001132368024 1375332087 /nfs/dbraw/zinc/33/20/87/1375332087.db2.gz HXTFAGFMRMARGI-IEYVCLCVSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC)C1 ZINC001132420277 1375367864 /nfs/dbraw/zinc/36/78/64/1375367864.db2.gz PVUPNNUCYJFRIC-ZWKOTPCHSA-N 2 1 325.541 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cccc(F)c2)C1 ZINC001132435743 1375379860 /nfs/dbraw/zinc/37/98/60/1375379860.db2.gz FUSBUBHDAWZXND-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(F)c2)C1 ZINC001132435743 1375379861 /nfs/dbraw/zinc/37/98/61/1375379861.db2.gz FUSBUBHDAWZXND-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(F)c2)C1 ZINC001132435743 1375379864 /nfs/dbraw/zinc/37/98/64/1375379864.db2.gz FUSBUBHDAWZXND-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccccc2CC)C1 ZINC001132440561 1375385633 /nfs/dbraw/zinc/38/56/33/1375385633.db2.gz CIBUAHHMCZLDEE-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2CC)C1 ZINC001132440561 1375385636 /nfs/dbraw/zinc/38/56/36/1375385636.db2.gz CIBUAHHMCZLDEE-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2CC)C1 ZINC001132440561 1375385640 /nfs/dbraw/zinc/38/56/40/1375385640.db2.gz CIBUAHHMCZLDEE-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132442229 1375386425 /nfs/dbraw/zinc/38/64/25/1375386425.db2.gz XMNAYMFBUAZRTD-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCC(C)(C)C)C1 ZINC001132442229 1375386430 /nfs/dbraw/zinc/38/64/30/1375386430.db2.gz XMNAYMFBUAZRTD-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC(C)(C)C)C1 ZINC001132442229 1375386437 /nfs/dbraw/zinc/38/64/37/1375386437.db2.gz XMNAYMFBUAZRTD-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CC1CCCCC1 ZINC001132517312 1375436361 /nfs/dbraw/zinc/43/63/61/1375436361.db2.gz AUGFWGXEEZUZAW-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132518871 1375436821 /nfs/dbraw/zinc/43/68/21/1375436821.db2.gz PMPMDNOQRWHHMY-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541903 1375449516 /nfs/dbraw/zinc/44/95/16/1375449516.db2.gz MOPOFQGSOIZCEZ-QUCCMNQESA-N 2 1 343.515 3.054 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541903 1375449518 /nfs/dbraw/zinc/44/95/18/1375449518.db2.gz MOPOFQGSOIZCEZ-QUCCMNQESA-N 2 1 343.515 3.054 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541903 1375449524 /nfs/dbraw/zinc/44/95/24/1375449524.db2.gz MOPOFQGSOIZCEZ-QUCCMNQESA-N 2 1 343.515 3.054 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541903 1375449528 /nfs/dbraw/zinc/44/95/28/1375449528.db2.gz MOPOFQGSOIZCEZ-QUCCMNQESA-N 2 1 343.515 3.054 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001228064985 1375514337 /nfs/dbraw/zinc/51/43/37/1375514337.db2.gz MKPZMTVUMPLAKC-UHFFFAOYSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001132739837 1375539080 /nfs/dbraw/zinc/53/90/80/1375539080.db2.gz WEESZDJOIYSFMX-RBUKOAKNSA-N 2 1 345.531 3.192 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001132956210 1375671938 /nfs/dbraw/zinc/67/19/38/1375671938.db2.gz AFRSDTJKCBRFOZ-LJQANCHMSA-N 2 1 329.488 3.484 20 0 EGADMP CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001228801732 1375682222 /nfs/dbraw/zinc/68/22/22/1375682222.db2.gz WONMDOMLAFLIPX-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)C[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133147984 1375808064 /nfs/dbraw/zinc/80/80/64/1375808064.db2.gz ZKQQOJOISCAWDM-ROUUACIJSA-N 2 1 348.535 3.127 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001133263250 1375879191 /nfs/dbraw/zinc/87/91/91/1375879191.db2.gz RLLOPEZDTQUICP-JNVNVXKGSA-N 2 1 337.552 3.149 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CF)cc1 ZINC001229860731 1375906948 /nfs/dbraw/zinc/90/69/48/1375906948.db2.gz ZXODUTYYSJJGKG-RTBURBONSA-N 2 1 349.494 3.015 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001133347583 1375935496 /nfs/dbraw/zinc/93/54/96/1375935496.db2.gz XUBCGPRIOGEUKX-VXOKQSJXSA-N 2 1 337.552 3.147 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C ZINC001230274646 1375979987 /nfs/dbraw/zinc/97/99/87/1375979987.db2.gz DRMVAOOSYFIQPO-KURKYZTESA-N 2 1 337.552 3.314 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001230598363 1376092589 /nfs/dbraw/zinc/09/25/89/1376092589.db2.gz MFPQNMOHJVXCQM-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001230598363 1376092594 /nfs/dbraw/zinc/09/25/94/1376092594.db2.gz MFPQNMOHJVXCQM-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CC(C)(C)C2)CC1 ZINC001230598058 1376092829 /nfs/dbraw/zinc/09/28/29/1376092829.db2.gz DDCRMMJYGSRNCJ-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC)CC1)C(C)C ZINC001230611645 1376102017 /nfs/dbraw/zinc/10/20/17/1376102017.db2.gz WXFUNTGZWQMFHV-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC)CC1)C(C)C ZINC001230611646 1376102563 /nfs/dbraw/zinc/10/25/63/1376102563.db2.gz WXFUNTGZWQMFHV-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP c1c2c[nH+]ccc2[nH]c1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001232014566 1376383432 /nfs/dbraw/zinc/38/34/32/1376383432.db2.gz QTSBJRBIQIQKBA-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2cc(C)cc(O)c2)CC1 ZINC001232882022 1376529375 /nfs/dbraw/zinc/52/93/75/1376529375.db2.gz NXPMAFDHROBFOE-UHFFFAOYSA-N 2 1 347.547 3.330 20 0 EGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C[C@H]2C1 ZINC001233340213 1376620339 /nfs/dbraw/zinc/62/03/39/1376620339.db2.gz SKMITCJGWXIOHI-IAGOWNOFSA-N 2 1 345.487 3.417 20 0 EGADMP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)cc1C ZINC001134612411 1376624448 /nfs/dbraw/zinc/62/44/48/1376624448.db2.gz MDQJBFZXTGFHBI-QZTJIDSGSA-N 2 1 345.531 3.161 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+]CC[C@@H]1CCC[C@H](C)C1 ZINC001134725595 1376680063 /nfs/dbraw/zinc/68/00/63/1376680063.db2.gz GWWLTQCEIGEVBO-ROUUACIJSA-N 2 1 348.535 3.319 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001134762987 1376707135 /nfs/dbraw/zinc/70/71/35/1376707135.db2.gz JTPOEEJYDQUPCG-FQEVSTJZSA-N 2 1 345.531 3.279 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC/C=C\c1ccccc1 ZINC001134766776 1376710238 /nfs/dbraw/zinc/71/02/38/1376710238.db2.gz LZRVNVGDPGISEP-KUMUZEIWSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CC1CCC1)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134791560 1376725272 /nfs/dbraw/zinc/72/52/72/1376725272.db2.gz TZUBDRFYUYLEKF-HZPDHXFCSA-N 2 1 337.552 3.312 20 0 EGADMP FC(F)(F)c1ccc(Cl)c(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235036299 1376834138 /nfs/dbraw/zinc/83/41/38/1376834138.db2.gz LGPVJZOBQYWXNS-IAQYHMDHSA-N 2 1 348.796 3.169 20 0 EGADMP FC(F)(F)c1ccc(Cl)c(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235036299 1376834142 /nfs/dbraw/zinc/83/41/42/1376834142.db2.gz LGPVJZOBQYWXNS-IAQYHMDHSA-N 2 1 348.796 3.169 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001135027906 1376856464 /nfs/dbraw/zinc/85/64/64/1376856464.db2.gz ABGCYLWOWIQQRG-HOTGVXAUSA-N 2 1 334.508 3.035 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[C@H]3C[C@@H]4[NH3+])cc2)cc1 ZINC001235254638 1376864655 /nfs/dbraw/zinc/86/46/55/1376864655.db2.gz KLBDSISWHDOTEF-UFYCRDLUSA-N 2 1 336.435 3.062 20 0 EGADMP COc1ccc2c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c[nH]c2c1 ZINC001235429732 1376870849 /nfs/dbraw/zinc/87/08/49/1376870849.db2.gz RERONZQEVPHUQO-CVEARBPZSA-N 2 1 327.472 3.388 20 0 EGADMP Clc1ccn2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235430403 1376871705 /nfs/dbraw/zinc/87/17/05/1376871705.db2.gz XDRRRNFKCYEFHO-GJZGRUSLSA-N 2 1 332.879 3.199 20 0 EGADMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCCC1)[NH+](C)C ZINC001235589488 1376876870 /nfs/dbraw/zinc/87/68/70/1376876870.db2.gz SDVMVEYGLAKCSQ-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135076934 1376881309 /nfs/dbraw/zinc/88/13/09/1376881309.db2.gz JGCRCPJMLXDDNS-IAGOWNOFSA-N 2 1 325.541 3.314 20 0 EGADMP c1ccc(C[C@@H]2C[NH2+]CCN2C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001235846952 1376901090 /nfs/dbraw/zinc/90/10/90/1376901090.db2.gz AMPKTWGEQWPTEO-DHIUTWEWSA-N 2 1 349.522 3.025 20 0 EGADMP COCC[N@H+](Cc1cccn1-c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001235942019 1376920064 /nfs/dbraw/zinc/92/00/64/1376920064.db2.gz BQEILACAPDCVQM-UHFFFAOYSA-N 2 1 347.890 3.331 20 0 EGADMP COCC[N@@H+](Cc1cccn1-c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001235942019 1376920069 /nfs/dbraw/zinc/92/00/69/1376920069.db2.gz BQEILACAPDCVQM-UHFFFAOYSA-N 2 1 347.890 3.331 20 0 EGADMP CC[NH+]1CCC(C[N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CC1 ZINC001236387860 1376951936 /nfs/dbraw/zinc/95/19/36/1376951936.db2.gz HERMTOMYOJQQQE-FQEVSTJZSA-N 3 1 333.495 3.112 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CC1 ZINC001236387860 1376951940 /nfs/dbraw/zinc/95/19/40/1376951940.db2.gz HERMTOMYOJQQQE-FQEVSTJZSA-N 3 1 333.495 3.112 20 0 EGADMP CCC[N@@H+](Cc1cccc(OC)c1OCC1CC1)C[C@H]1CC[NH2+]C1 ZINC001236844216 1376966370 /nfs/dbraw/zinc/96/63/70/1376966370.db2.gz QBTAKGYIUOZKLB-KRWDZBQOSA-N 2 1 332.488 3.306 20 0 EGADMP CCC[N@H+](Cc1cccc(OC)c1OCC1CC1)C[C@H]1CC[NH2+]C1 ZINC001236844216 1376966381 /nfs/dbraw/zinc/96/63/81/1376966381.db2.gz QBTAKGYIUOZKLB-KRWDZBQOSA-N 2 1 332.488 3.306 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc3cc(Br)ccc3[nH]2)C1 ZINC001237058539 1376973994 /nfs/dbraw/zinc/97/39/94/1376973994.db2.gz QHFNXXHCTQWGJL-MRXNPFEDSA-N 2 1 336.277 3.491 20 0 EGADMP C[NH+]1CCC2(C[NH+](Cc3cccnc3OCc3ccccc3)C2)CC1 ZINC001238778321 1377002002 /nfs/dbraw/zinc/00/20/02/1377002002.db2.gz QMRZYIPWPCMCLE-UHFFFAOYSA-N 2 1 337.467 3.188 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC001246291725 1377051151 /nfs/dbraw/zinc/05/11/51/1377051151.db2.gz UUEARIBVXOPXGG-LIMACUPBSA-N 3 1 327.516 3.255 20 0 EGADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]C2CCC3(C[NH2+]C3)CC2)CC[NH2+]1 ZINC001246379524 1377051598 /nfs/dbraw/zinc/05/15/98/1377051598.db2.gz PRTJCQCYQZOHSS-PKOBYXMFSA-N 3 1 331.479 3.049 20 0 EGADMP O[C@@]1(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252932689 1377093370 /nfs/dbraw/zinc/09/33/70/1377093370.db2.gz WDVCSNNBZRQCRQ-TZIWHRDSSA-N 2 1 346.490 3.228 20 0 EGADMP O[C@@]1(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252932689 1377093373 /nfs/dbraw/zinc/09/33/73/1377093373.db2.gz WDVCSNNBZRQCRQ-TZIWHRDSSA-N 2 1 346.490 3.228 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC1CCC(F)(F)CC1 ZINC001135437488 1377097507 /nfs/dbraw/zinc/09/75/07/1377097507.db2.gz VZMJSBJLPDEKQK-UHFFFAOYSA-N 2 1 347.494 3.030 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc(Cl)cc1 ZINC001135437476 1377097646 /nfs/dbraw/zinc/09/76/46/1377097646.db2.gz VJZVYMHVNGNXFU-UHFFFAOYSA-N 2 1 339.911 3.058 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+][C@H]1CCc2c1cccc2F ZINC001135441088 1377099565 /nfs/dbraw/zinc/09/95/65/1377099565.db2.gz YZDMOCFOXUSCHK-IBGZPJMESA-N 2 1 349.494 3.031 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H](CC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001254509468 1377105723 /nfs/dbraw/zinc/10/57/23/1377105723.db2.gz OHPNOWZQIVEODE-MOPGFXCFSA-N 2 1 346.515 3.403 20 0 EGADMP C[N@H+]1CCC[C@H](N2CCC3(C[NH+](Cc4ccccc4)C3)CC2)CC1 ZINC001254528035 1377107380 /nfs/dbraw/zinc/10/73/80/1377107380.db2.gz BSKBFQOKKXVBCR-FQEVSTJZSA-N 2 1 327.516 3.069 20 0 EGADMP C[N@@H+]1CCC[C@H]([NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)CC1 ZINC001254528035 1377107381 /nfs/dbraw/zinc/10/73/81/1377107381.db2.gz BSKBFQOKKXVBCR-FQEVSTJZSA-N 3 1 327.516 3.069 20 0 EGADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)CC1 ZINC001254528035 1377107384 /nfs/dbraw/zinc/10/73/84/1377107384.db2.gz BSKBFQOKKXVBCR-FQEVSTJZSA-N 3 1 327.516 3.069 20 0 EGADMP Cc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+]2CCC(C)(C)C2)c1 ZINC001135468749 1377107890 /nfs/dbraw/zinc/10/78/90/1377107890.db2.gz SRZRYHCNFUQQAR-ROUUACIJSA-N 2 1 345.531 3.100 20 0 EGADMP Cc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+]2CCC(C)(C)C2)c1 ZINC001135468747 1377108146 /nfs/dbraw/zinc/10/81/46/1377108146.db2.gz SRZRYHCNFUQQAR-MSOLQXFVSA-N 2 1 345.531 3.100 20 0 EGADMP CC(C)CC[C@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001256365805 1377111527 /nfs/dbraw/zinc/11/15/27/1377111527.db2.gz TVDFMUMCTDUARU-DFQSSKMNSA-N 2 1 349.563 3.218 20 0 EGADMP COCC[N@H+]1CCO[C@@H]2C[NH+](C(CC(C)C)CC(C)C)CC[C@@H]2C1 ZINC001258834969 1377119603 /nfs/dbraw/zinc/11/96/03/1377119603.db2.gz OZXCUWILTIDWJP-UYAOXDASSA-N 2 1 340.552 3.116 20 0 EGADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](C(CC(C)C)CC(C)C)CC[C@@H]2C1 ZINC001258834969 1377119605 /nfs/dbraw/zinc/11/96/05/1377119605.db2.gz OZXCUWILTIDWJP-UYAOXDASSA-N 2 1 340.552 3.116 20 0 EGADMP COCC[NH+]1CCO[C@@H]2C[N@H+](C(CC(C)C)CC(C)C)CC[C@@H]2C1 ZINC001258834969 1377119606 /nfs/dbraw/zinc/11/96/06/1377119606.db2.gz OZXCUWILTIDWJP-UYAOXDASSA-N 2 1 340.552 3.116 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1C ZINC001135978982 1377284870 /nfs/dbraw/zinc/28/48/70/1377284870.db2.gz AHIQTXMMHTZHJM-RTBURBONSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCc1ccc(CC)cc1 ZINC001135980301 1377285811 /nfs/dbraw/zinc/28/58/11/1377285811.db2.gz NIYQNQFNMFQWES-MSOLQXFVSA-N 2 1 347.547 3.006 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001135980329 1377286283 /nfs/dbraw/zinc/28/62/83/1377286283.db2.gz NVKPUFLAWMWRSV-DLBZAZTESA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135981130 1377286298 /nfs/dbraw/zinc/28/62/98/1377286298.db2.gz YOACEWUNNKLUFN-MSOLQXFVSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001135995150 1377291879 /nfs/dbraw/zinc/29/18/79/1377291879.db2.gz AAEPVMZJXMVFEN-MOPGFXCFSA-N 2 1 347.547 3.142 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001266360647 1377295259 /nfs/dbraw/zinc/29/52/59/1377295259.db2.gz ALXOGFQZERQDDB-IBGZPJMESA-N 2 1 335.536 3.023 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001266819652 1377386306 /nfs/dbraw/zinc/38/63/06/1377386306.db2.gz COCUGHBLYUWHNJ-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001267071118 1377410089 /nfs/dbraw/zinc/41/00/89/1377410089.db2.gz DQBSRNHMWZUFHI-FUHWJXTLSA-N 2 1 345.531 3.045 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001267090249 1377411768 /nfs/dbraw/zinc/41/17/68/1377411768.db2.gz IAJNMOZXFGHGOO-VQTJNVASSA-N 2 1 345.531 3.108 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001267393363 1377444194 /nfs/dbraw/zinc/44/41/94/1377444194.db2.gz DHOXNUHZBYSYKS-AZUAARDMSA-N 2 1 345.531 3.224 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+](Cc2c[nH]c3cccc(F)c23)CC1 ZINC001136985794 1377450653 /nfs/dbraw/zinc/45/06/53/1377450653.db2.gz VTUCPFXCTOUVLO-UHFFFAOYSA-N 2 1 346.494 3.157 20 0 EGADMP COc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001137035717 1377462031 /nfs/dbraw/zinc/46/20/31/1377462031.db2.gz CUOHCSWPORRPNQ-UHFFFAOYSA-N 2 1 341.455 3.171 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2[nH]c(C)cc2C)CC1 ZINC001137332228 1377522724 /nfs/dbraw/zinc/52/27/24/1377522724.db2.gz LUOAOHBJMPGAOO-UHFFFAOYSA-N 2 1 334.552 3.261 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001269234610 1377544717 /nfs/dbraw/zinc/54/47/17/1377544717.db2.gz BKCPRTNAHQTCPI-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCc1ccccc1C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001269345464 1377552454 /nfs/dbraw/zinc/55/24/54/1377552454.db2.gz RIQGNIVORFJNAG-PMACEKPBSA-N 2 1 345.531 3.012 20 0 EGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(N3CCCCC3)o2)CC1 ZINC001138179664 1377688160 /nfs/dbraw/zinc/68/81/60/1377688160.db2.gz COQOGEUHQVWAHX-UHFFFAOYSA-N 2 1 340.471 3.296 20 0 EGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3N3CCCCC3)C[C@H]2C1 ZINC001138606889 1377751669 /nfs/dbraw/zinc/75/16/69/1377751669.db2.gz AXLOQEQPDLMWMW-WOJBJXKFSA-N 2 1 327.516 3.451 20 0 EGADMP Cc1cnccc1O[C@H]1CC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC001139074685 1377824524 /nfs/dbraw/zinc/82/45/24/1377824524.db2.gz PQLQTIPCUNIPOS-AWEZNQCLSA-N 2 1 346.814 3.425 20 0 EGADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccnnc3)C[C@H]21 ZINC001139982540 1377986838 /nfs/dbraw/zinc/98/68/38/1377986838.db2.gz SFILVJOLPJKIFK-BHIYHBOVSA-N 2 1 342.512 3.271 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccnnc3)C[C@H]21 ZINC001139982540 1377986839 /nfs/dbraw/zinc/98/68/39/1377986839.db2.gz SFILVJOLPJKIFK-BHIYHBOVSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccnnc3)C[C@H]21 ZINC001139982540 1377986840 /nfs/dbraw/zinc/98/68/40/1377986840.db2.gz SFILVJOLPJKIFK-BHIYHBOVSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccnnc3)C[C@H]21 ZINC001139982540 1377986841 /nfs/dbraw/zinc/98/68/41/1377986841.db2.gz SFILVJOLPJKIFK-BHIYHBOVSA-N 2 1 342.512 3.271 20 0 EGADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccnnc2)CC3)c1 ZINC001139982084 1377986853 /nfs/dbraw/zinc/98/68/53/1377986853.db2.gz ATQYMAQBELFHHR-UHFFFAOYSA-N 2 1 328.485 3.026 20 0 EGADMP CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2CCC[NH+]1CCCCC1 ZINC001272715985 1378080130 /nfs/dbraw/zinc/08/01/30/1378080130.db2.gz BPNYKLRQEQBKCZ-UYAOXDASSA-N 2 1 335.536 3.118 20 0 EGADMP CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2CCC[NH+]1CCCCC1 ZINC001272715985 1378080139 /nfs/dbraw/zinc/08/01/39/1378080139.db2.gz BPNYKLRQEQBKCZ-UYAOXDASSA-N 2 1 335.536 3.118 20 0 EGADMP Cc1cc(CN2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)ccc1O ZINC001140573724 1378087056 /nfs/dbraw/zinc/08/70/56/1378087056.db2.gz RMRAQKYLZCZTIU-FQEVSTJZSA-N 2 1 332.488 3.023 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)ccc1O ZINC001140573724 1378087057 /nfs/dbraw/zinc/08/70/57/1378087057.db2.gz RMRAQKYLZCZTIU-FQEVSTJZSA-N 2 1 332.488 3.023 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)ccc1O ZINC001140573724 1378087059 /nfs/dbraw/zinc/08/70/59/1378087059.db2.gz RMRAQKYLZCZTIU-FQEVSTJZSA-N 2 1 332.488 3.023 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)ccc1O ZINC001140573724 1378087060 /nfs/dbraw/zinc/08/70/60/1378087060.db2.gz RMRAQKYLZCZTIU-FQEVSTJZSA-N 2 1 332.488 3.023 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)ccc1O ZINC001140573724 1378087061 /nfs/dbraw/zinc/08/70/61/1378087061.db2.gz RMRAQKYLZCZTIU-FQEVSTJZSA-N 2 1 332.488 3.023 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)ccc1O ZINC001140573724 1378087062 /nfs/dbraw/zinc/08/70/62/1378087062.db2.gz RMRAQKYLZCZTIU-FQEVSTJZSA-N 2 1 332.488 3.023 20 0 EGADMP OCc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)o1 ZINC001140679777 1378112937 /nfs/dbraw/zinc/11/29/37/1378112937.db2.gz BIDURFJDMIHSHL-UHFFFAOYSA-N 2 1 346.496 3.322 20 0 EGADMP Cc1nc(C[N@H+]2CCCC23CCN(Cc2cc[nH]c2)CC3)cs1 ZINC001140707113 1378120300 /nfs/dbraw/zinc/12/03/00/1378120300.db2.gz YXKMIOKHLXGQQR-UHFFFAOYSA-N 2 1 330.501 3.410 20 0 EGADMP CCCC[C@@H](CC)C[NH+]1CC2(C1)CC[NH+](Cc1nccnc1N)CC2 ZINC001275892297 1378161861 /nfs/dbraw/zinc/16/18/61/1378161861.db2.gz ROGSORFIOCHAGG-QGZVFWFLSA-N 2 1 345.535 3.173 20 0 EGADMP Nc1cccc(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)n1 ZINC001276492405 1378175618 /nfs/dbraw/zinc/17/56/18/1378175618.db2.gz MOSRWEIWOHPKJQ-UHFFFAOYSA-N 2 1 328.504 3.284 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC001140967815 1378195697 /nfs/dbraw/zinc/19/56/97/1378195697.db2.gz CYDIRNSMWFOMGH-FQEVSTJZSA-N 2 1 336.483 3.171 20 0 EGADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(OC(F)(F)F)cc3C)C[C@@H]2C1 ZINC001140965226 1378196221 /nfs/dbraw/zinc/19/62/21/1378196221.db2.gz JFXULUGBVADZBL-GJZGRUSLSA-N 2 1 328.378 3.277 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC001140967817 1378196337 /nfs/dbraw/zinc/19/63/37/1378196337.db2.gz CYDIRNSMWFOMGH-HXUWFJFHSA-N 2 1 336.483 3.171 20 0 EGADMP C[N@@H+](CCc1ccccc1F)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140974487 1378198091 /nfs/dbraw/zinc/19/80/91/1378198091.db2.gz AEEHGTGHGVKFRW-UHFFFAOYSA-N 2 1 341.474 3.252 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)C1CCCCCC1 ZINC001277382143 1378220923 /nfs/dbraw/zinc/22/09/23/1378220923.db2.gz HOCIMXIETAGOME-IBGZPJMESA-N 2 1 337.552 3.412 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CCCCCC1 ZINC001277382143 1378220927 /nfs/dbraw/zinc/22/09/27/1378220927.db2.gz HOCIMXIETAGOME-IBGZPJMESA-N 2 1 337.552 3.412 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)C1CCCCCC1 ZINC001277382143 1378220933 /nfs/dbraw/zinc/22/09/33/1378220933.db2.gz HOCIMXIETAGOME-IBGZPJMESA-N 2 1 337.552 3.412 20 0 EGADMP CCSc1ccccc1C[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001277463674 1378224211 /nfs/dbraw/zinc/22/42/11/1378224211.db2.gz NQYUYXMIAPWJGD-UHFFFAOYSA-N 2 1 347.572 3.258 20 0 EGADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](CCCCF)C[C@H]2CC1 ZINC001278205630 1378262317 /nfs/dbraw/zinc/26/23/17/1378262317.db2.gz PPSRTSXNSPKLRH-IYBDPMFKSA-N 2 1 325.497 3.345 20 0 EGADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](CCCCF)C[C@H]2CC1 ZINC001278205630 1378262321 /nfs/dbraw/zinc/26/23/21/1378262321.db2.gz PPSRTSXNSPKLRH-IYBDPMFKSA-N 2 1 325.497 3.345 20 0 EGADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](CCCCF)C[C@H]2CC1 ZINC001278205630 1378262329 /nfs/dbraw/zinc/26/23/29/1378262329.db2.gz PPSRTSXNSPKLRH-IYBDPMFKSA-N 2 1 325.497 3.345 20 0 EGADMP Fc1ccc(-c2noc([C@@H]3CCC[N@@H+](C[C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC001327513529 1388543516 /nfs/dbraw/zinc/54/35/16/1388543516.db2.gz XJDPTFMNAXZNKJ-GOEBONIOSA-N 2 1 344.434 3.055 20 0 EGADMP Cc1nc[nH]c1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001141455153 1378328115 /nfs/dbraw/zinc/32/81/15/1378328115.db2.gz DVCHAYNBFUUJDG-AWEZNQCLSA-N 2 1 326.444 3.131 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001281950244 1378462097 /nfs/dbraw/zinc/46/20/97/1378462097.db2.gz SUXQZIGPMYCTJM-LJQANCHMSA-N 2 1 345.531 3.127 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(CC(=O)OC)cc2)CC1 ZINC001142912478 1378508360 /nfs/dbraw/zinc/50/83/60/1378508360.db2.gz JFGGYKDHASJHCB-UHFFFAOYSA-N 2 1 332.488 3.098 20 0 EGADMP CCC[N@H+]1CCCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001282664730 1378535592 /nfs/dbraw/zinc/53/55/92/1378535592.db2.gz JTAAOWAAPGBGCH-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP C[NH+]1CCC(C(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)CC1 ZINC001143313195 1378577785 /nfs/dbraw/zinc/57/77/85/1378577785.db2.gz WGZMNZKPEMEMNH-UHFFFAOYSA-N 2 1 349.478 3.483 20 0 EGADMP C[NH+]1CCC(C(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)CC1 ZINC001143313195 1378577789 /nfs/dbraw/zinc/57/77/89/1378577789.db2.gz WGZMNZKPEMEMNH-UHFFFAOYSA-N 2 1 349.478 3.483 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001146334594 1378819919 /nfs/dbraw/zinc/81/99/19/1378819919.db2.gz YBFIUCZZAFGRSC-JKSUJKDBSA-N 2 1 334.508 3.035 20 0 EGADMP CCc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001146599606 1378874539 /nfs/dbraw/zinc/87/45/39/1378874539.db2.gz CGDCCQNXMRZBCS-ZWKOTPCHSA-N 2 1 347.547 3.005 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccccc1F ZINC001147359179 1379008156 /nfs/dbraw/zinc/00/81/56/1379008156.db2.gz NGDDQJYJXDGUDY-APWZRJJASA-N 2 1 349.494 3.247 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001147359191 1379008193 /nfs/dbraw/zinc/00/81/93/1379008193.db2.gz NPOHRLBGEUAODY-IBGZPJMESA-N 2 1 335.536 3.237 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CC(C)C)C2 ZINC001147658676 1379056422 /nfs/dbraw/zinc/05/64/22/1379056422.db2.gz WYBALOBCZJEGLU-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)CC(C)C)C2 ZINC001147658676 1379056426 /nfs/dbraw/zinc/05/64/26/1379056426.db2.gz WYBALOBCZJEGLU-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)CC(C)C)C2 ZINC001147658676 1379056428 /nfs/dbraw/zinc/05/64/28/1379056428.db2.gz WYBALOBCZJEGLU-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001147716568 1379064482 /nfs/dbraw/zinc/06/44/82/1379064482.db2.gz HSKANZZJXWZZLY-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001147716568 1379064488 /nfs/dbraw/zinc/06/44/88/1379064488.db2.gz HSKANZZJXWZZLY-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001147716568 1379064492 /nfs/dbraw/zinc/06/44/92/1379064492.db2.gz HSKANZZJXWZZLY-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001147840942 1379089434 /nfs/dbraw/zinc/08/94/34/1379089434.db2.gz GLKUHYISKFNPIK-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001147840942 1379089435 /nfs/dbraw/zinc/08/94/35/1379089435.db2.gz GLKUHYISKFNPIK-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001147840942 1379089436 /nfs/dbraw/zinc/08/94/36/1379089436.db2.gz GLKUHYISKFNPIK-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CCCCC1)C2)[NH+](CC)CC ZINC001148285105 1379146273 /nfs/dbraw/zinc/14/62/73/1379146273.db2.gz MOCHKQORLUBZPB-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001148833615 1379278999 /nfs/dbraw/zinc/27/89/99/1379278999.db2.gz DQVVNLVEMKSLNC-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2 ZINC001148833615 1379279003 /nfs/dbraw/zinc/27/90/03/1379279003.db2.gz DQVVNLVEMKSLNC-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCC(C)(C)C)C2 ZINC001148833615 1379279006 /nfs/dbraw/zinc/27/90/06/1379279006.db2.gz DQVVNLVEMKSLNC-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)cc2C)C[C@H]1C ZINC001284025346 1379373636 /nfs/dbraw/zinc/37/36/36/1379373636.db2.gz IVSDLVGIGLIZAS-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@H+]1CCCC1CCC1 ZINC001284128599 1379505804 /nfs/dbraw/zinc/50/58/04/1379505804.db2.gz NEVZDZQIAHSMKK-QFBILLFUSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCC[NH+]1CCCC1CCC1 ZINC001284128599 1379505809 /nfs/dbraw/zinc/50/58/09/1379505809.db2.gz NEVZDZQIAHSMKK-QFBILLFUSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCC[NH+]1CCCC1CCC1 ZINC001284128599 1379505810 /nfs/dbraw/zinc/50/58/10/1379505810.db2.gz NEVZDZQIAHSMKK-QFBILLFUSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)cc(C)c2)[C@H]1C ZINC001284152558 1379548234 /nfs/dbraw/zinc/54/82/34/1379548234.db2.gz IIDMBOXNATZAJR-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)cc(C)c2)[C@H]1C ZINC001284152558 1379548236 /nfs/dbraw/zinc/54/82/36/1379548236.db2.gz IIDMBOXNATZAJR-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2)[C@H]1C ZINC001284152558 1379548240 /nfs/dbraw/zinc/54/82/40/1379548240.db2.gz IIDMBOXNATZAJR-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392920 1379925511 /nfs/dbraw/zinc/92/55/11/1379925511.db2.gz YPWPTEVZCOUHAW-YLJYHZDGSA-N 2 1 345.531 3.231 20 0 EGADMP CC[NH+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152392920 1379925517 /nfs/dbraw/zinc/92/55/17/1379925517.db2.gz YPWPTEVZCOUHAW-YLJYHZDGSA-N 2 1 345.531 3.231 20 0 EGADMP CC[NH+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152392920 1379925526 /nfs/dbraw/zinc/92/55/26/1379925526.db2.gz YPWPTEVZCOUHAW-YLJYHZDGSA-N 2 1 345.531 3.231 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001152458380 1379936969 /nfs/dbraw/zinc/93/69/69/1379936969.db2.gz OLUPCFWFCQWTLQ-YLJYHZDGSA-N 2 1 345.531 3.451 20 0 EGADMP CC[C@H]([NH2+]CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC001152528237 1379945798 /nfs/dbraw/zinc/94/57/98/1379945798.db2.gz BNAAPSYGMQFTIM-PMACEKPBSA-N 2 1 339.483 3.146 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CCCCCC1)C(C)(C)C ZINC001284612989 1380012423 /nfs/dbraw/zinc/01/24/23/1380012423.db2.gz AIVZHVSBHWERSY-MSOLQXFVSA-N 2 1 337.552 3.172 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313647 1380054176 /nfs/dbraw/zinc/05/41/76/1380054176.db2.gz UTBSKUBNJJFETK-MSOLQXFVSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153313647 1380054181 /nfs/dbraw/zinc/05/41/81/1380054181.db2.gz UTBSKUBNJJFETK-MSOLQXFVSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153313647 1380054184 /nfs/dbraw/zinc/05/41/84/1380054184.db2.gz UTBSKUBNJJFETK-MSOLQXFVSA-N 2 1 325.541 3.122 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001153819054 1380136048 /nfs/dbraw/zinc/13/60/48/1380136048.db2.gz LPJUVNIFSBFZFR-IEBWSBKVSA-N 2 1 337.552 3.410 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001153819054 1380136049 /nfs/dbraw/zinc/13/60/49/1380136049.db2.gz LPJUVNIFSBFZFR-IEBWSBKVSA-N 2 1 337.552 3.410 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001153819054 1380136050 /nfs/dbraw/zinc/13/60/50/1380136050.db2.gz LPJUVNIFSBFZFR-IEBWSBKVSA-N 2 1 337.552 3.410 20 0 EGADMP CC[N@@H+](CC1CCC(C)CC1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854447 1380144404 /nfs/dbraw/zinc/14/44/04/1380144404.db2.gz CAJPKYIZQQZLSH-LXPRWKDFSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CCC(C)CC1)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153854447 1380144405 /nfs/dbraw/zinc/14/44/05/1380144405.db2.gz CAJPKYIZQQZLSH-LXPRWKDFSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CCC(C)CC1)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153854447 1380144406 /nfs/dbraw/zinc/14/44/06/1380144406.db2.gz CAJPKYIZQQZLSH-LXPRWKDFSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990419 1380171802 /nfs/dbraw/zinc/17/18/02/1380171802.db2.gz DUKPCGGNOAEAFD-QULHZPMSSA-N 2 1 349.563 3.435 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1c(C)cc(C)cc1C)[NH+](C)C ZINC001154010175 1380177545 /nfs/dbraw/zinc/17/75/45/1380177545.db2.gz VIVFOMVFQHSXIM-UYAOXDASSA-N 2 1 347.547 3.279 20 0 EGADMP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154034004 1380187346 /nfs/dbraw/zinc/18/73/46/1380187346.db2.gz SMBUNHGYPHIVOH-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154034004 1380187349 /nfs/dbraw/zinc/18/73/49/1380187349.db2.gz SMBUNHGYPHIVOH-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154034004 1380187350 /nfs/dbraw/zinc/18/73/50/1380187350.db2.gz SMBUNHGYPHIVOH-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C)cc(C)c1 ZINC001154069356 1380198583 /nfs/dbraw/zinc/19/85/83/1380198583.db2.gz AKEAJKZDUMHSTL-GOSISDBHSA-N 2 1 347.547 3.360 20 0 EGADMP CC[NH+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154069356 1380198585 /nfs/dbraw/zinc/19/85/85/1380198585.db2.gz AKEAJKZDUMHSTL-GOSISDBHSA-N 2 1 347.547 3.360 20 0 EGADMP CC[NH+](Cc1cc(C)cc(C)c1)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154069356 1380198587 /nfs/dbraw/zinc/19/85/87/1380198587.db2.gz AKEAJKZDUMHSTL-GOSISDBHSA-N 2 1 347.547 3.360 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CCC1=CCCCC1 ZINC001154070177 1380198599 /nfs/dbraw/zinc/19/85/99/1380198599.db2.gz ROAZQVPMZDHARG-QGZVFWFLSA-N 2 1 337.552 3.434 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154070177 1380198601 /nfs/dbraw/zinc/19/86/01/1380198601.db2.gz ROAZQVPMZDHARG-QGZVFWFLSA-N 2 1 337.552 3.434 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154070177 1380198604 /nfs/dbraw/zinc/19/86/04/1380198604.db2.gz ROAZQVPMZDHARG-QGZVFWFLSA-N 2 1 337.552 3.434 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154348235 1380261653 /nfs/dbraw/zinc/26/16/53/1380261653.db2.gz WWIBVYLFPNBSPX-FYCOFBDGSA-N 2 1 328.460 3.131 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580214 1380308978 /nfs/dbraw/zinc/30/89/78/1380308978.db2.gz RKSXFBDHONIOIQ-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC(CC)CC)C1 ZINC001154784640 1380350602 /nfs/dbraw/zinc/35/06/02/1380350602.db2.gz JLTMMRNDOXNBRU-IEBWSBKVSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC(CC)CC)C1 ZINC001154784640 1380350604 /nfs/dbraw/zinc/35/06/04/1380350604.db2.gz JLTMMRNDOXNBRU-IEBWSBKVSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC(CC)CC)C1 ZINC001154784640 1380350605 /nfs/dbraw/zinc/35/06/05/1380350605.db2.gz JLTMMRNDOXNBRU-IEBWSBKVSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888023 1380372989 /nfs/dbraw/zinc/37/29/89/1380372989.db2.gz ITAOJOCPJKZHKB-MRXNPFEDSA-N 2 1 337.508 3.218 20 0 EGADMP CC[N@@H+](CC1CCC(C)CC1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155084619 1380405316 /nfs/dbraw/zinc/40/53/16/1380405316.db2.gz AXJFUAQYMUDSNE-JWHDQAAXSA-N 2 1 339.568 3.226 20 0 EGADMP COc1cc2[nH+]c(NC[C@]3(F)CCCC[NH2+]C3)ccc2c(OC)c1 ZINC001155123961 1380413475 /nfs/dbraw/zinc/41/34/75/1380413475.db2.gz PMERRUXMFBPXIP-SFHVURJKSA-N 2 1 333.407 3.146 20 0 EGADMP CC[C@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155249653 1380429136 /nfs/dbraw/zinc/42/91/36/1380429136.db2.gz PFESNWHEAAEDPM-ZWKOTPCHSA-N 2 1 347.547 3.277 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C2CC2)cc1)[NH+](C)C ZINC001155289399 1380433912 /nfs/dbraw/zinc/43/39/12/1380433912.db2.gz QJAWVVIXOIZXNF-UZLBHIALSA-N 2 1 345.531 3.231 20 0 EGADMP CC[C@@H](C)C[N@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155607578 1380472987 /nfs/dbraw/zinc/47/29/87/1380472987.db2.gz RBNFRODODFEGOY-IAGOWNOFSA-N 2 1 336.524 3.269 20 0 EGADMP CC[C@@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155607578 1380472988 /nfs/dbraw/zinc/47/29/88/1380472988.db2.gz RBNFRODODFEGOY-IAGOWNOFSA-N 2 1 336.524 3.269 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC[C@H](C)F ZINC001155878163 1380501755 /nfs/dbraw/zinc/50/17/55/1380501755.db2.gz WHIQLUPKZFDEEK-DLBZAZTESA-N 2 1 331.520 3.073 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC[C@H](C)F ZINC001155878163 1380501756 /nfs/dbraw/zinc/50/17/56/1380501756.db2.gz WHIQLUPKZFDEEK-DLBZAZTESA-N 2 1 331.520 3.073 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC[C@H](C)F ZINC001155878163 1380501757 /nfs/dbraw/zinc/50/17/57/1380501757.db2.gz WHIQLUPKZFDEEK-DLBZAZTESA-N 2 1 331.520 3.073 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC=C(C)C ZINC001156305590 1380555077 /nfs/dbraw/zinc/55/50/77/1380555077.db2.gz FCKZYBHLRBOFAC-MOPGFXCFSA-N 2 1 337.552 3.434 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC=C(C)C ZINC001156305590 1380555078 /nfs/dbraw/zinc/55/50/78/1380555078.db2.gz FCKZYBHLRBOFAC-MOPGFXCFSA-N 2 1 337.552 3.434 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C ZINC001156305590 1380555080 /nfs/dbraw/zinc/55/50/80/1380555080.db2.gz FCKZYBHLRBOFAC-MOPGFXCFSA-N 2 1 337.552 3.434 20 0 EGADMP CC[N@@H+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156465874 1380579451 /nfs/dbraw/zinc/57/94/51/1380579451.db2.gz GDWCQHQAMDBQSU-LJQANCHMSA-N 2 1 347.547 3.362 20 0 EGADMP CC[N@@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475783 1380581054 /nfs/dbraw/zinc/58/10/54/1380581054.db2.gz UIGWSKOKJKAAOG-QZTJIDSGSA-N 2 1 327.557 3.227 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC1CCC2(CC2)CC1 ZINC001156530409 1380588659 /nfs/dbraw/zinc/58/86/59/1380588659.db2.gz ONOCWEQVOBUMQM-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC1CCC2(CC2)CC1 ZINC001156530409 1380588660 /nfs/dbraw/zinc/58/86/60/1380588660.db2.gz ONOCWEQVOBUMQM-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157118576 1380780041 /nfs/dbraw/zinc/78/00/41/1380780041.db2.gz IJKQGVSAHRLUSE-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157138239 1380783916 /nfs/dbraw/zinc/78/39/16/1380783916.db2.gz PYZPCYQDMUCHLT-QGZVFWFLSA-N 2 1 331.504 3.155 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC001157893815 1381064326 /nfs/dbraw/zinc/06/43/26/1381064326.db2.gz NNGVYOCOTDFKSB-VQTJNVASSA-N 2 1 343.515 3.033 20 0 EGADMP C[NH+](C)CC(C)(C)CNc1[nH+]cnc2c1ccn2Cc1ccccc1 ZINC001157941733 1381076807 /nfs/dbraw/zinc/07/68/07/1381076807.db2.gz BLRUICHJYJAWHD-UHFFFAOYSA-N 2 1 337.471 3.479 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CCC1CC1 ZINC001158061570 1381117273 /nfs/dbraw/zinc/11/72/73/1381117273.db2.gz OPTYBSHWFWTOKR-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CC1 ZINC001158061570 1381117276 /nfs/dbraw/zinc/11/72/76/1381117276.db2.gz OPTYBSHWFWTOKR-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CC1 ZINC001158061570 1381117278 /nfs/dbraw/zinc/11/72/78/1381117278.db2.gz OPTYBSHWFWTOKR-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H](F)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186790 1381151718 /nfs/dbraw/zinc/15/17/18/1381151718.db2.gz YACWZABQJPSCLH-NVXWUHKLSA-N 2 1 346.450 3.009 20 0 EGADMP CC[C@@H](F)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186093 1381152493 /nfs/dbraw/zinc/15/24/93/1381152493.db2.gz MMCKEIONFQBFAU-IAGOWNOFSA-N 2 1 346.450 3.009 20 0 EGADMP COCCn1ccc2c1nc[nH+]c2N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001158263473 1381177425 /nfs/dbraw/zinc/17/74/25/1381177425.db2.gz DHSLJVSQERDWJV-AUUYWEPGSA-N 2 1 345.491 3.033 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH2+]CC1CCCCC1 ZINC001158356997 1381215823 /nfs/dbraw/zinc/21/58/23/1381215823.db2.gz YZPLNKVNASQBJX-MRXNPFEDSA-N 2 1 334.508 3.073 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCC(C)(C)C)CC1 ZINC001158419368 1381240122 /nfs/dbraw/zinc/24/01/22/1381240122.db2.gz MSQYPVSWKRLDGN-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)(C)C ZINC001158446078 1381247889 /nfs/dbraw/zinc/24/78/89/1381247889.db2.gz RLEZQNIUERUSFR-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CC(C)N(c1nc(N2CCC([NH3+])CC2)cc[nH+]1)[C@@H](C)c1ccccc1 ZINC001158474612 1381258850 /nfs/dbraw/zinc/25/88/50/1381258850.db2.gz WDWQRFVIGVUAPS-INIZCTEOSA-N 2 1 339.487 3.380 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1CCC1CCCC1 ZINC001328280706 1388711645 /nfs/dbraw/zinc/71/16/45/1388711645.db2.gz AEAWTLQRUBQCIO-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001158624913 1381329319 /nfs/dbraw/zinc/32/93/19/1381329319.db2.gz HCHHUOCZPIBQMJ-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC3(C2)CCC[NH2+]C3)nc1 ZINC001159025223 1381518948 /nfs/dbraw/zinc/51/89/48/1381518948.db2.gz OBRCLQAHYMAJBE-SFHVURJKSA-N 2 1 328.504 3.208 20 0 EGADMP c1ccc2c(c1)C[NH2+]C21CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC001159030853 1381523167 /nfs/dbraw/zinc/52/31/67/1381523167.db2.gz DQRNKSYMLHQVMW-UHFFFAOYSA-N 2 1 349.482 3.066 20 0 EGADMP c1ccc(-c2cc(Nc3ccc(N4CC[NH2+]CC4)nc3)cc[nH+]2)cc1 ZINC001159198117 1381726108 /nfs/dbraw/zinc/72/61/08/1381726108.db2.gz PFIFKJSXPKAPLS-UHFFFAOYSA-N 2 1 331.423 3.297 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001159911472 1381935373 /nfs/dbraw/zinc/93/53/73/1381935373.db2.gz YXDYOBPUMXASJC-MOPGFXCFSA-N 2 1 345.531 3.415 20 0 EGADMP [NH3+][C@@H]1CCc2c3ccccc3n(-c3cc(-n4ccnc4)cc[nH+]3)c2C1 ZINC001159953924 1381948236 /nfs/dbraw/zinc/94/82/36/1381948236.db2.gz ZJYQDGIIWHGEKH-CQSZACIVSA-N 2 1 329.407 3.027 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001160121308 1382004481 /nfs/dbraw/zinc/00/44/81/1382004481.db2.gz WJRXDEXFKDPWOC-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001160121308 1382004486 /nfs/dbraw/zinc/00/44/86/1382004486.db2.gz WJRXDEXFKDPWOC-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001160121308 1382004489 /nfs/dbraw/zinc/00/44/89/1382004489.db2.gz WJRXDEXFKDPWOC-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP Fc1cc(Nc2cc[nH+]cc2C(F)(F)F)ccc1O[C@@H]1CC[NH2+]C1 ZINC001160164357 1382022439 /nfs/dbraw/zinc/02/24/39/1382022439.db2.gz BMPHAFLRZMVMHC-LLVKDONJSA-N 2 1 341.308 3.146 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175536 1382025423 /nfs/dbraw/zinc/02/54/23/1382025423.db2.gz XJUSGAMISDXLSU-NLWGTHIKSA-N 2 1 349.563 3.147 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175536 1382025428 /nfs/dbraw/zinc/02/54/28/1382025428.db2.gz XJUSGAMISDXLSU-NLWGTHIKSA-N 2 1 349.563 3.147 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175536 1382025434 /nfs/dbraw/zinc/02/54/34/1382025434.db2.gz XJUSGAMISDXLSU-NLWGTHIKSA-N 2 1 349.563 3.147 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001160286173 1382061680 /nfs/dbraw/zinc/06/16/80/1382061680.db2.gz OLEWYSHXDRTAII-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001160286173 1382061687 /nfs/dbraw/zinc/06/16/87/1382061687.db2.gz OLEWYSHXDRTAII-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001160286173 1382061692 /nfs/dbraw/zinc/06/16/92/1382061692.db2.gz OLEWYSHXDRTAII-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP C[N@@H+](CC(=O)NCCC1=CC[NH+](CCC2CCCC2)CC1)C1CCC1 ZINC001160386312 1382090873 /nfs/dbraw/zinc/09/08/73/1382090873.db2.gz SCGDUDSPTVENDR-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+](CC(=O)NCCC1=CC[N@H+](CCC2CCCC2)CC1)C1CCC1 ZINC001160386312 1382090877 /nfs/dbraw/zinc/09/08/77/1382090877.db2.gz SCGDUDSPTVENDR-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+](CC(=O)NCCC1=CC[N@@H+](CCC2CCCC2)CC1)C1CCC1 ZINC001160386312 1382090884 /nfs/dbraw/zinc/09/08/84/1382090884.db2.gz SCGDUDSPTVENDR-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP c1ccc(C[N@@H+]2CC=C(Nc3cccc4c3[C@@H]3C[NH2+]C[C@H]3O4)CC2)cc1 ZINC001160397369 1382093543 /nfs/dbraw/zinc/09/35/43/1382093543.db2.gz XTPPXDGBFHMLEE-WIYYLYMNSA-N 2 1 347.462 3.336 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)co2)cc1 ZINC001328492822 1388763898 /nfs/dbraw/zinc/76/38/98/1388763898.db2.gz QMIGSJLAKVSXSW-UHFFFAOYSA-N 2 1 341.455 3.316 20 0 EGADMP C[NH+](C)CCCC(=O)NCCC1=CC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC001161036472 1382278716 /nfs/dbraw/zinc/27/87/16/1382278716.db2.gz JWHJNYZXBDZNQF-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C(=O)N(CC)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001161330356 1382372644 /nfs/dbraw/zinc/37/26/44/1382372644.db2.gz MMHHTVMBIKOTIR-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161390847 1382396303 /nfs/dbraw/zinc/39/63/03/1382396303.db2.gz LVXFJMKWWXQHQB-IBGZPJMESA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161390847 1382396310 /nfs/dbraw/zinc/39/63/10/1382396310.db2.gz LVXFJMKWWXQHQB-IBGZPJMESA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161390847 1382396314 /nfs/dbraw/zinc/39/63/14/1382396314.db2.gz LVXFJMKWWXQHQB-IBGZPJMESA-N 2 1 335.536 3.188 20 0 EGADMP COc1cc(NC2(Cc3ccccn3)CC[NH2+]CC2)[nH+]c2ccccc21 ZINC001161495192 1382422576 /nfs/dbraw/zinc/42/25/76/1382422576.db2.gz FHSJZCHRFIDSEN-UHFFFAOYSA-N 2 1 348.450 3.415 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]CC1CC(C)(C)C1 ZINC001161523933 1382429212 /nfs/dbraw/zinc/42/92/12/1382429212.db2.gz CVDUMQXGYPCKEA-UHFFFAOYSA-N 2 1 337.552 3.172 20 0 EGADMP C[NH+](C)CCCCC(=O)NCCC1=CC[N@@H+](CC2CCCCC2)CC1 ZINC001161733453 1382491830 /nfs/dbraw/zinc/49/18/30/1382491830.db2.gz CQGRDSYFHJFVRZ-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC001162459404 1382762903 /nfs/dbraw/zinc/76/29/03/1382762903.db2.gz DOYTUIBJZXABBU-HZPDHXFCSA-N 2 1 337.471 3.044 20 0 EGADMP C[C@H]1C[NH2+]CCC[C@H]1CNc1nc(N2CCCC(C)(C)C2)cc[nH+]1 ZINC001162460735 1382763508 /nfs/dbraw/zinc/76/35/08/1382763508.db2.gz JYEFDSZNVJUBDC-HOTGVXAUSA-N 2 1 331.508 3.151 20 0 EGADMP O=C(Nc1ccccc1)Nc1cc[nH+]c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001163261372 1383006834 /nfs/dbraw/zinc/00/68/34/1383006834.db2.gz SQWFINSFPBOZBL-COXVUDFISA-N 2 1 337.427 3.136 20 0 EGADMP Cc1ccc2c(C)cc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)[nH+]c2c1 ZINC001163277813 1383012081 /nfs/dbraw/zinc/01/20/81/1383012081.db2.gz GVDYZHIUQXDUGR-OXJNMPFZSA-N 2 1 325.456 3.422 20 0 EGADMP Cn1ccc2c1nc[nH+]c2NC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001163315942 1383020141 /nfs/dbraw/zinc/02/01/41/1383020141.db2.gz ULHJBUVUYLBBEH-OAHLLOKOSA-N 2 1 325.460 3.201 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@H](C)c2ccccc2C)C1 ZINC001164449333 1383187967 /nfs/dbraw/zinc/18/79/67/1383187967.db2.gz IARKXUYAMMKWJA-MOPGFXCFSA-N 2 1 345.531 3.274 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001164449393 1383187991 /nfs/dbraw/zinc/18/79/91/1383187991.db2.gz KCUMOXODNHTABM-HXUWFJFHSA-N 2 1 345.531 3.021 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C)cc2C)C1 ZINC001164456659 1383188774 /nfs/dbraw/zinc/18/87/74/1383188774.db2.gz WNEHIYBHMDDYRQ-HXUWFJFHSA-N 2 1 345.531 3.021 20 0 EGADMP c1cc2c[nH+]c(N[C@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2[nH]1 ZINC001164483518 1383191506 /nfs/dbraw/zinc/19/15/06/1383191506.db2.gz BYLFJGJYFGVAER-KSZLIROESA-N 2 1 333.439 3.232 20 0 EGADMP c1cc2c[nH+]c(N[C@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc2[nH]1 ZINC001164483518 1383191507 /nfs/dbraw/zinc/19/15/07/1383191507.db2.gz BYLFJGJYFGVAER-KSZLIROESA-N 2 1 333.439 3.232 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4[nH+]ccc5c4CCN5)[C@@H]3C2)cc1 ZINC001164487473 1383192370 /nfs/dbraw/zinc/19/23/70/1383192370.db2.gz VJZKLTFEGVNUJX-HQRMLTQVSA-N 2 1 334.467 3.372 20 0 EGADMP Cc1[nH+]ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1F ZINC001164499548 1383193776 /nfs/dbraw/zinc/19/37/76/1383193776.db2.gz RRXIBBZDNFNWGS-RCCFBDPRSA-N 2 1 325.431 3.274 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164515155 1383195354 /nfs/dbraw/zinc/19/53/54/1383195354.db2.gz WNXQRVMDCLDRPK-DUMMIQTOSA-N 2 1 335.536 3.092 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531221 1383196525 /nfs/dbraw/zinc/19/65/25/1383196525.db2.gz BOIWHYBZBQNSCH-MOPGFXCFSA-N 2 1 349.563 3.317 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001164577825 1383201530 /nfs/dbraw/zinc/20/15/30/1383201530.db2.gz UIBFDUTZNGAOGU-ROUUACIJSA-N 2 1 345.531 3.136 20 0 EGADMP C[NH+]1CCC(C2CCN(c3nc(N4CCCCC4)cc[nH+]3)CC2)CC1 ZINC001165065901 1383220327 /nfs/dbraw/zinc/22/03/27/1383220327.db2.gz PZTUMCNQGLPVEF-UHFFFAOYSA-N 2 1 343.519 3.025 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)nc1 ZINC001165152685 1383237714 /nfs/dbraw/zinc/23/77/14/1383237714.db2.gz VLPNCMCCJQHJMK-CEXWTWQISA-N 2 1 328.504 3.016 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc1 ZINC001165152685 1383237715 /nfs/dbraw/zinc/23/77/15/1383237715.db2.gz VLPNCMCCJQHJMK-CEXWTWQISA-N 2 1 328.504 3.016 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc1 ZINC001165152685 1383237717 /nfs/dbraw/zinc/23/77/17/1383237717.db2.gz VLPNCMCCJQHJMK-CEXWTWQISA-N 2 1 328.504 3.016 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[NH2+]C3)nc1 ZINC001165244626 1383256663 /nfs/dbraw/zinc/25/66/63/1383256663.db2.gz TZJPBUKNVSKUEP-UYAOXDASSA-N 2 1 328.504 3.208 20 0 EGADMP CC(C)CC[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165485514 1383301469 /nfs/dbraw/zinc/30/14/69/1383301469.db2.gz YDZIUUXCZJRRKE-SFHVURJKSA-N 2 1 337.552 3.172 20 0 EGADMP O=C(NCCC1(C[NH2+]CC2CCCC2)CC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001165728958 1383334249 /nfs/dbraw/zinc/33/42/49/1383334249.db2.gz WQLTWNITTDKZTL-RBUKOAKNSA-N 2 1 347.547 3.070 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165736036 1383334867 /nfs/dbraw/zinc/33/48/67/1383334867.db2.gz GTJIHHFOIYNEMV-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@H]([NH2+]CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC001166686694 1383460737 /nfs/dbraw/zinc/46/07/37/1383460737.db2.gz DITJKBBJCQNAJA-OXJNMPFZSA-N 2 1 349.494 3.056 20 0 EGADMP CCCCCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001167096307 1383537867 /nfs/dbraw/zinc/53/78/67/1383537867.db2.gz YTNNJZUVFTXCOY-UXHICEINSA-N 2 1 345.531 3.008 20 0 EGADMP O=C(NCCC1(C[NH2+]CC2CCCC2)CC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001167426747 1383630978 /nfs/dbraw/zinc/63/09/78/1383630978.db2.gz YEDUVAFGDZTPFB-RTBURBONSA-N 2 1 347.547 3.070 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC001167476560 1383645590 /nfs/dbraw/zinc/64/55/90/1383645590.db2.gz ZKBVROGIZMDTFQ-QGZVFWFLSA-N 2 1 342.487 3.172 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[NH2+]CCC1CCCC1 ZINC001167580954 1383678438 /nfs/dbraw/zinc/67/84/38/1383678438.db2.gz MSUIGFSPQRCAFS-UHFFFAOYSA-N 2 1 334.508 3.073 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC001167634291 1383694400 /nfs/dbraw/zinc/69/44/00/1383694400.db2.gz HMBDCIFZZLKELW-PKOBYXMFSA-N 2 1 331.504 3.106 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC001167685222 1383710072 /nfs/dbraw/zinc/71/00/72/1383710072.db2.gz IWFMGEJECDTSGM-JQFCIGGWSA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC001167685222 1383710073 /nfs/dbraw/zinc/71/00/73/1383710073.db2.gz IWFMGEJECDTSGM-JQFCIGGWSA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC001167685222 1383710076 /nfs/dbraw/zinc/71/00/76/1383710076.db2.gz IWFMGEJECDTSGM-JQFCIGGWSA-N 2 1 344.421 3.401 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2nc(C[NH3+])c3ccccc32)nc1 ZINC001167697233 1383714437 /nfs/dbraw/zinc/71/44/37/1383714437.db2.gz QHOBAOSFQIABSQ-OAHLLOKOSA-N 2 1 335.455 3.254 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2C)CC1 ZINC001167814660 1383747206 /nfs/dbraw/zinc/74/72/06/1383747206.db2.gz AUVADTOARGIZDN-GOSISDBHSA-N 2 1 345.531 3.274 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCn2cnc(COCC3CC3)c2C1 ZINC001167821572 1383748904 /nfs/dbraw/zinc/74/89/04/1383748904.db2.gz DTINPLZJKZSDLI-KRWDZBQOSA-N 2 1 348.535 3.136 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCn2cnc(COCC3CC3)c2C1 ZINC001167821572 1383748910 /nfs/dbraw/zinc/74/89/10/1383748910.db2.gz DTINPLZJKZSDLI-KRWDZBQOSA-N 2 1 348.535 3.136 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC001167826966 1383750122 /nfs/dbraw/zinc/75/01/22/1383750122.db2.gz SJWCRDWQHPEJAZ-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@]2(CCCN2C(=O)C(C)C)C1 ZINC001167827064 1383751245 /nfs/dbraw/zinc/75/12/45/1383751245.db2.gz RZNHCTMTTPCBBZ-UYAOXDASSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC001328811794 1388878219 /nfs/dbraw/zinc/87/82/19/1388878219.db2.gz FXGSAJUFGDVOTD-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001328811794 1388878223 /nfs/dbraw/zinc/87/82/23/1388878223.db2.gz FXGSAJUFGDVOTD-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP C(OC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)C2)C1CC1 ZINC001167935727 1383772166 /nfs/dbraw/zinc/77/21/66/1383772166.db2.gz LJQBSRGSPQRUOU-OQEHDIDLSA-N 2 1 344.543 3.245 20 0 EGADMP C(OC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1C[C@H]3C[C@H]3C1)C2)C1CC1 ZINC001167935727 1383772172 /nfs/dbraw/zinc/77/21/72/1383772172.db2.gz LJQBSRGSPQRUOU-OQEHDIDLSA-N 2 1 344.543 3.245 20 0 EGADMP C(OC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1C[C@H]3C[C@H]3C1)C2)C1CC1 ZINC001167935727 1383772178 /nfs/dbraw/zinc/77/21/78/1383772178.db2.gz LJQBSRGSPQRUOU-OQEHDIDLSA-N 2 1 344.543 3.245 20 0 EGADMP CCOC(=O)[C@]1(C)CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167985777 1383787822 /nfs/dbraw/zinc/78/78/22/1383787822.db2.gz ZMTGVADIYMMVEH-KXZRCVDZSA-N 2 1 348.531 3.447 20 0 EGADMP CCOC(=O)[C@]1(C)CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167985777 1383787825 /nfs/dbraw/zinc/78/78/25/1383787825.db2.gz ZMTGVADIYMMVEH-KXZRCVDZSA-N 2 1 348.531 3.447 20 0 EGADMP CCOC(=O)[C@]1(C)CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167985777 1383787826 /nfs/dbraw/zinc/78/78/26/1383787826.db2.gz ZMTGVADIYMMVEH-KXZRCVDZSA-N 2 1 348.531 3.447 20 0 EGADMP c1cncc(O[C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001167995409 1383792038 /nfs/dbraw/zinc/79/20/38/1383792038.db2.gz FDVDDICRCDRQHA-KXZRCVDZSA-N 2 1 341.499 3.330 20 0 EGADMP c1cncc(O[C@@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001167995409 1383792041 /nfs/dbraw/zinc/79/20/41/1383792041.db2.gz FDVDDICRCDRQHA-KXZRCVDZSA-N 2 1 341.499 3.330 20 0 EGADMP c1cncc(O[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001167995409 1383792045 /nfs/dbraw/zinc/79/20/45/1383792045.db2.gz FDVDDICRCDRQHA-KXZRCVDZSA-N 2 1 341.499 3.330 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001328811794 1388878227 /nfs/dbraw/zinc/87/82/27/1388878227.db2.gz FXGSAJUFGDVOTD-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP COc1ccc2c(c1)C[C@@H](N(c1[nH+]cccc1C)C1CC[NH2+]CC1)C2 ZINC001168293506 1383865841 /nfs/dbraw/zinc/86/58/41/1383865841.db2.gz ZHHZATSHAKVMNZ-IBGZPJMESA-N 2 1 337.467 3.124 20 0 EGADMP COc1ccc2c(c1)C[C@H](N(c1[nH+]cccc1C)C1CC[NH2+]CC1)C2 ZINC001168293629 1383866032 /nfs/dbraw/zinc/86/60/32/1383866032.db2.gz ZHHZATSHAKVMNZ-LJQANCHMSA-N 2 1 337.467 3.124 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCc3ncnc(-c4ccoc4)c3CC2)CC1 ZINC001168322721 1383872104 /nfs/dbraw/zinc/87/21/04/1383872104.db2.gz FXOUHNBYCOGFFF-UHFFFAOYSA-N 2 1 340.471 3.010 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+]CC[C@H]1CCC[C@H](C)C1 ZINC001168369269 1383886715 /nfs/dbraw/zinc/88/67/15/1383886715.db2.gz MXGWJBGUCZGFGA-PKOBYXMFSA-N 2 1 348.535 3.284 20 0 EGADMP COc1ccccc1O[C@@H]1CC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168392626 1383893418 /nfs/dbraw/zinc/89/34/18/1383893418.db2.gz QVLXNSOVDWYNAQ-GOSISDBHSA-N 2 1 330.472 3.023 20 0 EGADMP COc1ccccc1O[C@@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168392626 1383893422 /nfs/dbraw/zinc/89/34/22/1383893422.db2.gz QVLXNSOVDWYNAQ-GOSISDBHSA-N 2 1 330.472 3.023 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCC(Cc2ccccc2)CC1)CCC(=O)OC ZINC001307442420 1383991118 /nfs/dbraw/zinc/99/11/18/1383991118.db2.gz JRKRENHGLFFRTL-UHFFFAOYSA-N 2 1 346.515 3.216 20 0 EGADMP CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001307728680 1384019316 /nfs/dbraw/zinc/01/93/16/1384019316.db2.gz PINLARYDGLSCPP-KRWDZBQOSA-N 2 1 332.488 3.446 20 0 EGADMP CC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001307728680 1384019319 /nfs/dbraw/zinc/01/93/19/1384019319.db2.gz PINLARYDGLSCPP-KRWDZBQOSA-N 2 1 332.488 3.446 20 0 EGADMP CC(C)[N@@H+]([C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168832173 1384024318 /nfs/dbraw/zinc/02/43/18/1384024318.db2.gz CWJMHKMLRJPCQB-QAETUUGQSA-N 2 1 339.524 3.365 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CN1C(=O)OC(C)(C)C ZINC001168840316 1384028919 /nfs/dbraw/zinc/02/89/19/1384028919.db2.gz ULWVGCSHDIIKHV-IXDOHACOSA-N 2 1 339.524 3.225 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC001308002297 1384072805 /nfs/dbraw/zinc/07/28/05/1384072805.db2.gz CNHZHKXJCXUQFM-SFHVURJKSA-N 2 1 326.444 3.007 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC001308002297 1384072808 /nfs/dbraw/zinc/07/28/08/1384072808.db2.gz CNHZHKXJCXUQFM-SFHVURJKSA-N 2 1 326.444 3.007 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]13)C2 ZINC001169090270 1384104925 /nfs/dbraw/zinc/10/49/25/1384104925.db2.gz JFMDVECBTJYIQY-OVQJPPBNSA-N 2 1 339.527 3.112 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]13)C2 ZINC001169090270 1384104928 /nfs/dbraw/zinc/10/49/28/1384104928.db2.gz JFMDVECBTJYIQY-OVQJPPBNSA-N 2 1 339.527 3.112 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]13)C2 ZINC001169090270 1384104931 /nfs/dbraw/zinc/10/49/31/1384104931.db2.gz JFMDVECBTJYIQY-OVQJPPBNSA-N 2 1 339.527 3.112 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]13)C2 ZINC001169090270 1384104932 /nfs/dbraw/zinc/10/49/32/1384104932.db2.gz JFMDVECBTJYIQY-OVQJPPBNSA-N 3 1 339.527 3.112 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]13)C2 ZINC001169090270 1384104934 /nfs/dbraw/zinc/10/49/34/1384104934.db2.gz JFMDVECBTJYIQY-OVQJPPBNSA-N 3 1 339.527 3.112 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]13)C2 ZINC001169090270 1384104936 /nfs/dbraw/zinc/10/49/36/1384104936.db2.gz JFMDVECBTJYIQY-OVQJPPBNSA-N 3 1 339.527 3.112 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]13)C2 ZINC001169090270 1384104938 /nfs/dbraw/zinc/10/49/38/1384104938.db2.gz JFMDVECBTJYIQY-OVQJPPBNSA-N 3 1 339.527 3.112 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCCC(=O)OCc1ccccc1)C2 ZINC001169101488 1384107305 /nfs/dbraw/zinc/10/73/05/1384107305.db2.gz SRTOVECVAGANJL-REPLKXPHSA-N 2 1 330.472 3.115 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001169108157 1384108347 /nfs/dbraw/zinc/10/83/47/1384108347.db2.gz OYLUSCZRMVHEFR-JBFZATNMSA-N 2 1 349.519 3.132 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(Cc3cccc(F)c3)CCOCC1)C2 ZINC001169120186 1384109533 /nfs/dbraw/zinc/10/95/33/1384109533.db2.gz ZFFBJHLGZGWBHP-REPLKXPHSA-N 2 1 332.463 3.132 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccsc1Br)C2 ZINC001169123855 1384110252 /nfs/dbraw/zinc/11/02/52/1384110252.db2.gz NGBUMVVPLXLTPY-CLLJXQQHSA-N 2 1 329.307 3.268 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@H]3CCC[C@@]3(COc3cccnc3)C1)C2 ZINC001169133368 1384111987 /nfs/dbraw/zinc/11/19/87/1384111987.db2.gz FAQFGNJOXIZVDI-AGRFSFNASA-N 2 1 341.499 3.188 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@H]3CCC[C@@]3(COc3cccnc3)C1)C2 ZINC001169133368 1384111989 /nfs/dbraw/zinc/11/19/89/1384111989.db2.gz FAQFGNJOXIZVDI-AGRFSFNASA-N 2 1 341.499 3.188 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@H]3CCC[C@@]3(COc3cccnc3)C1)C2 ZINC001169133368 1384111991 /nfs/dbraw/zinc/11/19/91/1384111991.db2.gz FAQFGNJOXIZVDI-AGRFSFNASA-N 2 1 341.499 3.188 20 0 EGADMP COc1ccccc1O[C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169141268 1384112785 /nfs/dbraw/zinc/11/27/85/1384112785.db2.gz PHGFWMXEQPTZBO-MLHJIOFPSA-N 2 1 330.472 3.164 20 0 EGADMP COc1ccccc1O[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169141268 1384112786 /nfs/dbraw/zinc/11/27/86/1384112786.db2.gz PHGFWMXEQPTZBO-MLHJIOFPSA-N 2 1 330.472 3.164 20 0 EGADMP COc1ccccc1O[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169141268 1384112788 /nfs/dbraw/zinc/11/27/88/1384112788.db2.gz PHGFWMXEQPTZBO-MLHJIOFPSA-N 2 1 330.472 3.164 20 0 EGADMP Cc1cc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c[nH+]c1N1CCOCC1 ZINC001169147527 1384114706 /nfs/dbraw/zinc/11/47/06/1384114706.db2.gz TVDXNFXANAXPOF-XLIONFOSSA-N 2 1 346.519 3.182 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+]([C@H]3CCCc4ccccc43)CC1)C2 ZINC001169156424 1384116794 /nfs/dbraw/zinc/11/67/94/1384116794.db2.gz YDQFOQPZHHOARA-HIUFNZKISA-N 2 1 339.527 3.307 20 0 EGADMP Cc1ccccc1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001308758716 1384148326 /nfs/dbraw/zinc/14/83/26/1384148326.db2.gz USQROLVXFUHQFE-QHCPKHFHSA-N 2 1 349.522 3.387 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169460794 1384150509 /nfs/dbraw/zinc/15/05/09/1384150509.db2.gz ZPEDYYCVUPQVNA-WDSOQIARSA-N 2 1 337.552 3.396 20 0 EGADMP COC(=O)c1cccc(-c2ccc(NCC[C@H]3CCC[NH2+]3)[nH+]c2C)c1 ZINC001169562450 1384159751 /nfs/dbraw/zinc/15/97/51/1384159751.db2.gz DVIHIBOAYMUXLQ-QGZVFWFLSA-N 2 1 339.439 3.398 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)cc1C ZINC001169811832 1384188169 /nfs/dbraw/zinc/18/81/69/1384188169.db2.gz YDTMMYRBYAQFNH-ICSRJNTNSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)CCC[C@@H](C)N(c1[nH+]ccn1C)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001170078484 1384229964 /nfs/dbraw/zinc/22/99/64/1384229964.db2.gz SHUZCJJBYXGMDI-QZTJIDSGSA-N 2 1 348.535 3.352 20 0 EGADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H]3CC[C@H](C)C3)CC[C@@H]21 ZINC001170140052 1384246781 /nfs/dbraw/zinc/24/67/81/1384246781.db2.gz WSSGCQXHOBXPIF-MDMHHNQBSA-N 2 1 330.520 3.245 20 0 EGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H]3CC[C@H](C)C3)CC[C@@H]21 ZINC001170140052 1384246784 /nfs/dbraw/zinc/24/67/84/1384246784.db2.gz WSSGCQXHOBXPIF-MDMHHNQBSA-N 2 1 330.520 3.245 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C)C3)CC[C@@H]21 ZINC001170140052 1384246787 /nfs/dbraw/zinc/24/67/87/1384246787.db2.gz WSSGCQXHOBXPIF-MDMHHNQBSA-N 2 1 330.520 3.245 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C)C3)CC[C@@H]21 ZINC001170140052 1384246788 /nfs/dbraw/zinc/24/67/88/1384246788.db2.gz WSSGCQXHOBXPIF-MDMHHNQBSA-N 2 1 330.520 3.245 20 0 EGADMP Cc1[nH+]c2ccc(NC[C@H]3O[C@@H](C(C)C)O[C@@H]3C[NH3+])cc2n1C(C)C ZINC001170280993 1384281372 /nfs/dbraw/zinc/28/13/72/1384281372.db2.gz AWKAMXNMOHHBQC-QRVBRYPASA-N 2 1 346.475 3.062 20 0 EGADMP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)CC1 ZINC001170745454 1384377238 /nfs/dbraw/zinc/37/72/38/1384377238.db2.gz GXUUNQMAJYPWEN-REPLKXPHSA-N 2 1 348.531 3.161 20 0 EGADMP CC1(C)[C@@H]2C[C@H]([N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)C[C@@H]21 ZINC001170748878 1384377585 /nfs/dbraw/zinc/37/75/85/1384377585.db2.gz AWOOCTRUSXTQFX-GGPHIMKMSA-N 2 1 342.531 3.162 20 0 EGADMP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+]([C@H]1CCCOCC1)CC2 ZINC001170811133 1384389905 /nfs/dbraw/zinc/38/99/05/1384389905.db2.gz JBQCIUUVQPAWNL-SFHVURJKSA-N 2 1 347.503 3.291 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCCC(C)C)CC[N@H+]1C ZINC001170871369 1384402595 /nfs/dbraw/zinc/40/25/95/1384402595.db2.gz OXOMKWTUCLVMEY-CEXWTWQISA-N 2 1 339.568 3.418 20 0 EGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001171118065 1384449170 /nfs/dbraw/zinc/44/91/70/1384449170.db2.gz CFOCQEHSKCVMNO-QZTJIDSGSA-N 2 1 325.541 3.316 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171247741 1384477700 /nfs/dbraw/zinc/47/77/00/1384477700.db2.gz NUYAEOJERRGCII-PXNSSMCTSA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H](C)CCCC[NH2+]CC1CCC1 ZINC001171248314 1384478211 /nfs/dbraw/zinc/47/82/11/1384478211.db2.gz SERGLIOLNYEUQC-IEBWSBKVSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001171248490 1384478330 /nfs/dbraw/zinc/47/83/30/1384478330.db2.gz VWHBEAARXRDBCJ-MOPGFXCFSA-N 2 1 337.552 3.480 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171248916 1384478882 /nfs/dbraw/zinc/47/88/82/1384478882.db2.gz YKYIXMBHUQPNDO-ZWKOTPCHSA-N 2 1 348.535 3.461 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171539141 1384556538 /nfs/dbraw/zinc/55/65/38/1384556538.db2.gz QWKBMLLKRJLXNV-HKUYNNGSSA-N 2 1 335.536 3.236 20 0 EGADMP Cc1ccc(CC[C@@H](C)[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1 ZINC001171673005 1384597999 /nfs/dbraw/zinc/59/79/99/1384597999.db2.gz VLDAQDKHEDJWGZ-QGZVFWFLSA-N 2 1 329.488 3.446 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001171725173 1384614808 /nfs/dbraw/zinc/61/48/08/1384614808.db2.gz GYQCIQIRTZIOAQ-UHFFFAOYSA-N 2 1 325.541 3.031 20 0 EGADMP C[C@@H]1C[C@@H](N(C(N)=[NH2+])c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC001171727469 1384615113 /nfs/dbraw/zinc/61/51/13/1384615113.db2.gz CTPRQFRSNYLLMI-RDTXWAMCSA-N 2 1 326.419 3.189 20 0 EGADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171732689 1384618010 /nfs/dbraw/zinc/61/80/10/1384618010.db2.gz LETLTBJKSDXYMW-IRFCIJBXSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171732689 1384618013 /nfs/dbraw/zinc/61/80/13/1384618013.db2.gz LETLTBJKSDXYMW-IRFCIJBXSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H](n2nc(-c3ccncc3)cc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171733982 1384619535 /nfs/dbraw/zinc/61/95/35/1384619535.db2.gz KVMKHJFKESZHGB-OXQOHEQNSA-N 2 1 347.466 3.239 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001316883206 1384666915 /nfs/dbraw/zinc/66/69/15/1384666915.db2.gz WZOLHEYVHHFPIP-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977287 1384700772 /nfs/dbraw/zinc/70/07/72/1384700772.db2.gz ATIRWUAOBZPMOQ-QRVBRYPASA-N 2 1 344.499 3.361 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984689 1384704605 /nfs/dbraw/zinc/70/46/05/1384704605.db2.gz XOVSQJFKXYHPAP-MJGOQNOKSA-N 2 1 338.499 3.440 20 0 EGADMP C[N@H+]1CCC[C@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172062760 1384714305 /nfs/dbraw/zinc/71/43/05/1384714305.db2.gz RXCWPCMPFTVOFC-WOZUAGRISA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+]1CCC[C@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062760 1384714307 /nfs/dbraw/zinc/71/43/07/1384714307.db2.gz RXCWPCMPFTVOFC-WOZUAGRISA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+]1CCC[C@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062760 1384714312 /nfs/dbraw/zinc/71/43/12/1384714312.db2.gz RXCWPCMPFTVOFC-WOZUAGRISA-N 2 1 327.516 3.256 20 0 EGADMP CN1CCC[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062760 1384714316 /nfs/dbraw/zinc/71/43/16/1384714316.db2.gz RXCWPCMPFTVOFC-WOZUAGRISA-N 2 1 327.516 3.256 20 0 EGADMP CN1CCC[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062760 1384714318 /nfs/dbraw/zinc/71/43/18/1384714318.db2.gz RXCWPCMPFTVOFC-WOZUAGRISA-N 2 1 327.516 3.256 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)C1)C1CCC1 ZINC001316943689 1384715236 /nfs/dbraw/zinc/71/52/36/1384715236.db2.gz JXKPVSFQLNFPRD-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)C1)C1CCC1 ZINC001316943689 1384715248 /nfs/dbraw/zinc/71/52/48/1384715248.db2.gz JXKPVSFQLNFPRD-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)C1)C1CCC1 ZINC001316943689 1384715251 /nfs/dbraw/zinc/71/52/51/1384715251.db2.gz JXKPVSFQLNFPRD-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP COC(=O)C(C)(C)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062897 1384715647 /nfs/dbraw/zinc/71/56/47/1384715647.db2.gz SAQGJMDKQYFRBR-REPLKXPHSA-N 2 1 344.499 3.361 20 0 EGADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172076290 1384719534 /nfs/dbraw/zinc/71/95/34/1384719534.db2.gz XPDJJJFGUDRMAL-YUBLJMCLSA-N 2 1 339.527 3.351 20 0 EGADMP C[NH+]1C[C@H]2CC[C@@H](C1)N2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076290 1384719538 /nfs/dbraw/zinc/71/95/38/1384719538.db2.gz XPDJJJFGUDRMAL-YUBLJMCLSA-N 2 1 339.527 3.351 20 0 EGADMP C[NH+]1C[C@H]2CC[C@@H](C1)N2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076290 1384719542 /nfs/dbraw/zinc/71/95/42/1384719542.db2.gz XPDJJJFGUDRMAL-YUBLJMCLSA-N 2 1 339.527 3.351 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CC([NH+]4CCCC4)C2)C3)cc1 ZINC001172074832 1384720402 /nfs/dbraw/zinc/72/04/02/1384720402.db2.gz MEBGFVIHFYPMOL-WKCHPHFGSA-N 2 1 339.527 3.352 20 0 EGADMP C[N@H+]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172079756 1384721172 /nfs/dbraw/zinc/72/11/72/1384721172.db2.gz QVRLSWWWUABVAA-AERCQKQUSA-N 2 1 327.516 3.210 20 0 EGADMP C[NH+]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172079756 1384721175 /nfs/dbraw/zinc/72/11/75/1384721175.db2.gz QVRLSWWWUABVAA-AERCQKQUSA-N 2 1 327.516 3.210 20 0 EGADMP C[NH+]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172079756 1384721178 /nfs/dbraw/zinc/72/11/78/1384721178.db2.gz QVRLSWWWUABVAA-AERCQKQUSA-N 2 1 327.516 3.210 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCN(Cc3cccc(F)c3)C1)C2 ZINC001172109881 1384729060 /nfs/dbraw/zinc/72/90/60/1384729060.db2.gz GJZSCIKKYTUKSE-HAGHYFMRSA-N 2 1 331.479 3.005 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCN(Cc3cccc(F)c3)C1)C2 ZINC001172109881 1384729062 /nfs/dbraw/zinc/72/90/62/1384729062.db2.gz GJZSCIKKYTUKSE-HAGHYFMRSA-N 2 1 331.479 3.005 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)C2 ZINC001172110728 1384730293 /nfs/dbraw/zinc/73/02/93/1384730293.db2.gz NVWIDMWEEBTCJU-MUJYYYPQSA-N 2 1 339.524 3.285 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cncn1Cc1ccccc1F)C2 ZINC001172113920 1384731435 /nfs/dbraw/zinc/73/14/35/1384731435.db2.gz KWMHQNKLJSXBKE-NNZMDNLPSA-N 2 1 342.462 3.175 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H]3[C@@H]1CCN3C(=O)OC(C)(C)C)C2 ZINC001172117527 1384733115 /nfs/dbraw/zinc/73/31/15/1384733115.db2.gz HLIIAQNITWTFNV-PNKHAZJDSA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3[C@@H]1CCN3C(=O)OC(C)(C)C)C2 ZINC001172117527 1384733117 /nfs/dbraw/zinc/73/31/17/1384733117.db2.gz HLIIAQNITWTFNV-PNKHAZJDSA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H]3[C@@H]1CCN3C(=O)OC(C)(C)C)C2 ZINC001172117527 1384733122 /nfs/dbraw/zinc/73/31/22/1384733122.db2.gz HLIIAQNITWTFNV-PNKHAZJDSA-N 2 1 349.519 3.085 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172121287 1384734814 /nfs/dbraw/zinc/73/48/14/1384734814.db2.gz DGUOBMKSXSMFFM-PBASOCQRSA-N 2 1 327.516 3.381 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001172125150 1384735666 /nfs/dbraw/zinc/73/56/66/1384735666.db2.gz ORUMSMHFYLSEEG-YXIAPDDASA-N 2 1 339.527 3.066 20 0 EGADMP CC(C)c1noc([C@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172129320 1384737152 /nfs/dbraw/zinc/73/71/52/1384737152.db2.gz YGTRIHZCAQKTDB-MWDXBVQZSA-N 2 1 332.492 3.388 20 0 EGADMP CC(C)c1noc([C@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001172129320 1384737154 /nfs/dbraw/zinc/73/71/54/1384737154.db2.gz YGTRIHZCAQKTDB-MWDXBVQZSA-N 2 1 332.492 3.388 20 0 EGADMP CC(C)c1noc([C@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172129320 1384737161 /nfs/dbraw/zinc/73/71/61/1384737161.db2.gz YGTRIHZCAQKTDB-MWDXBVQZSA-N 2 1 332.492 3.388 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@H]3CN(c4ccccc4)C[C@H]3C1)C2 ZINC001172133255 1384737216 /nfs/dbraw/zinc/73/72/16/1384737216.db2.gz QLJJZUJGSPXOTQ-UJZAFDIWSA-N 2 1 325.500 3.070 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@H]3CN(c4ccccc4)C[C@H]3C1)C2 ZINC001172133255 1384737220 /nfs/dbraw/zinc/73/72/20/1384737220.db2.gz QLJJZUJGSPXOTQ-UJZAFDIWSA-N 2 1 325.500 3.070 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@H]3CN(c4ccccc4)C[C@H]3C1)C2 ZINC001172133255 1384737223 /nfs/dbraw/zinc/73/72/23/1384737223.db2.gz QLJJZUJGSPXOTQ-UJZAFDIWSA-N 2 1 325.500 3.070 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001172255011 1384756777 /nfs/dbraw/zinc/75/67/77/1384756777.db2.gz FQUUNYYLIQRDMT-FQEVSTJZSA-N 2 1 332.488 3.031 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001172255011 1384756784 /nfs/dbraw/zinc/75/67/84/1384756784.db2.gz FQUUNYYLIQRDMT-FQEVSTJZSA-N 2 1 332.488 3.031 20 0 EGADMP CC[C@@H](C)OCC[C@H](C)N(c1cc(C)[nH+]c(C)n1)C1CC[NH2+]CC1 ZINC001172362680 1384777804 /nfs/dbraw/zinc/77/78/04/1384777804.db2.gz VZYJVBDURQZOEM-JKSUJKDBSA-N 2 1 334.508 3.246 20 0 EGADMP CCCCCC[C@H](CCCC)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001172516038 1384808506 /nfs/dbraw/zinc/80/85/06/1384808506.db2.gz FRMJFAXRZJWTDC-SFHVURJKSA-N 2 1 325.541 3.269 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001172626338 1384822608 /nfs/dbraw/zinc/82/26/08/1384822608.db2.gz DLTPZAVORCWREJ-VAMGGRTRSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172626338 1384822610 /nfs/dbraw/zinc/82/26/10/1384822610.db2.gz DLTPZAVORCWREJ-VAMGGRTRSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172626338 1384822612 /nfs/dbraw/zinc/82/26/12/1384822612.db2.gz DLTPZAVORCWREJ-VAMGGRTRSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)CC1 ZINC001172783620 1384851642 /nfs/dbraw/zinc/85/16/42/1384851642.db2.gz CAAMGRCADLMKCD-IRXDYDNUSA-N 2 1 345.487 3.051 20 0 EGADMP COC(=O)[C@H]1CCC[C@@H](N(c2[nH+]cccc2C)C2CC[NH2+]CC2)CC1 ZINC001172802652 1384855275 /nfs/dbraw/zinc/85/52/75/1384855275.db2.gz LAPTUUAPKOEXTA-DLBZAZTESA-N 2 1 345.487 3.070 20 0 EGADMP CC[N@H+](C)C1CC[NH+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172972149 1384893030 /nfs/dbraw/zinc/89/30/30/1384893030.db2.gz TXTZWQWTDAJXQX-HNNXBMFYSA-N 2 1 327.513 3.048 20 0 EGADMP CC[N@@H+](C)C1CC[NH+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172972149 1384893034 /nfs/dbraw/zinc/89/30/34/1384893034.db2.gz TXTZWQWTDAJXQX-HNNXBMFYSA-N 2 1 327.513 3.048 20 0 EGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001173079063 1384909382 /nfs/dbraw/zinc/90/93/82/1384909382.db2.gz INHZFRJSHVNNTO-IMJJTQAJSA-N 2 1 342.405 3.400 20 0 EGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001173079063 1384909385 /nfs/dbraw/zinc/90/93/85/1384909385.db2.gz INHZFRJSHVNNTO-IMJJTQAJSA-N 2 1 342.405 3.400 20 0 EGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001173079063 1384909389 /nfs/dbraw/zinc/90/93/89/1384909389.db2.gz INHZFRJSHVNNTO-IMJJTQAJSA-N 2 1 342.405 3.400 20 0 EGADMP CC[NH+](CC)C1CCC([N@@H+](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC001173109382 1384916377 /nfs/dbraw/zinc/91/63/77/1384916377.db2.gz HWJMGECWJBVAJM-UHFFFAOYSA-N 2 1 341.540 3.486 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCO[C@H](COc3ccccc3)C2)CC1 ZINC001173113281 1384917629 /nfs/dbraw/zinc/91/76/29/1384917629.db2.gz MJNBICVHEFIKAF-GRERDSQWSA-N 2 1 346.515 3.419 20 0 EGADMP CC[NH+](CC)C1CCC([N@@H+]2Cc3ccccc3C[C@H]2C(=O)OC)CC1 ZINC001173115166 1384917939 /nfs/dbraw/zinc/91/79/39/1384917939.db2.gz XKXKGYRIJKHZQV-MHJFOBGBSA-N 2 1 344.499 3.239 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2Cc3ccccc3C[C@H]2C(=O)OC)CC1 ZINC001173115166 1384917940 /nfs/dbraw/zinc/91/79/40/1384917940.db2.gz XKXKGYRIJKHZQV-MHJFOBGBSA-N 2 1 344.499 3.239 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173198790 1384934793 /nfs/dbraw/zinc/93/47/93/1384934793.db2.gz HDZNFHBKVJYYSL-KQUKSJNGSA-N 2 1 344.499 3.347 20 0 EGADMP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@H]3CC[C@@H](CC)C3)CC2)CC1 ZINC001173280635 1384950259 /nfs/dbraw/zinc/95/02/59/1384950259.db2.gz NBAXYMWVTPCOLN-APWZRJJASA-N 2 1 336.520 3.305 20 0 EGADMP CC[N@H+]1CC[C@@H](n2cc(C3CC[NH2+]CC3)c3cc(OC)ccc32)C1 ZINC001173368712 1384965807 /nfs/dbraw/zinc/96/58/07/1384965807.db2.gz QSMCQBYVUCSTNA-MRXNPFEDSA-N 2 1 327.472 3.384 20 0 EGADMP CCN1CC[C@H]([N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001173369151 1384965885 /nfs/dbraw/zinc/96/58/85/1384965885.db2.gz UDEKHULKEFQKNS-NRFANRHFSA-N 2 1 341.543 3.459 20 0 EGADMP CC[N@@H+]1CC[C@H](N2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001173369151 1384965889 /nfs/dbraw/zinc/96/58/89/1384965889.db2.gz UDEKHULKEFQKNS-NRFANRHFSA-N 2 1 341.543 3.459 20 0 EGADMP CC[N@H+]1CC[C@H](N2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001173369151 1384965893 /nfs/dbraw/zinc/96/58/93/1384965893.db2.gz UDEKHULKEFQKNS-NRFANRHFSA-N 2 1 341.543 3.459 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173412612 1384967783 /nfs/dbraw/zinc/96/77/83/1384967783.db2.gz SVDLXABSPDCLOA-SFHVURJKSA-N 2 1 349.906 3.019 20 0 EGADMP CCOC(=O)[C@H]1CC12CCC([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC001173605776 1384986533 /nfs/dbraw/zinc/98/65/33/1384986533.db2.gz GRKSZYBYFDWVGR-XBPCWFMRSA-N 2 1 348.531 3.495 20 0 EGADMP CCOC(=O)[C@H]1CC12CCC([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC001173605776 1384986537 /nfs/dbraw/zinc/98/65/37/1384986537.db2.gz GRKSZYBYFDWVGR-XBPCWFMRSA-N 2 1 348.531 3.495 20 0 EGADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC001173605773 1384986658 /nfs/dbraw/zinc/98/66/58/1384986658.db2.gz GRKSZYBYFDWVGR-DDUYZKFLSA-N 2 1 348.531 3.495 20 0 EGADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC001173605773 1384986680 /nfs/dbraw/zinc/98/66/80/1384986680.db2.gz GRKSZYBYFDWVGR-DDUYZKFLSA-N 2 1 348.531 3.495 20 0 EGADMP CCOC(=O)[C@@H]1CC12CCC([NH+]1CCC([N@@H+](C)C3CC3)CC1)CC2 ZINC001173618350 1384989290 /nfs/dbraw/zinc/98/92/90/1384989290.db2.gz FZHUQHDQSVSGSP-FDYSRKEFSA-N 2 1 334.504 3.057 20 0 EGADMP FC(F)(F)CN1CCC([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001173669143 1385000322 /nfs/dbraw/zinc/00/03/22/1385000322.db2.gz KTJYVYWOKIIYIZ-INIZCTEOSA-N 2 1 347.469 3.354 20 0 EGADMP CCc1ccccc1C[NH2+]C1CCC(NC(=O)CC[N@H+](C)CC)CC1 ZINC001317224386 1385004230 /nfs/dbraw/zinc/00/42/30/1385004230.db2.gz ZRRZQYGSGDGZKN-UHFFFAOYSA-N 2 1 345.531 3.108 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001317280603 1385051406 /nfs/dbraw/zinc/05/14/06/1385051406.db2.gz SVVDXDDLWXGDFT-IRXDYDNUSA-N 2 1 341.499 3.337 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001317361567 1385104523 /nfs/dbraw/zinc/10/45/23/1385104523.db2.gz VJQWTQJOFPNTAQ-WOJBJXKFSA-N 2 1 345.531 3.244 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@H](C)c1cccc2ccccc21 ZINC001317467423 1385161033 /nfs/dbraw/zinc/16/10/33/1385161033.db2.gz DQNGZJMTDAIGDS-QGZVFWFLSA-N 2 1 341.499 3.291 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)[C@H](C)c1cccc2ccccc21 ZINC001317467423 1385161035 /nfs/dbraw/zinc/16/10/35/1385161035.db2.gz DQNGZJMTDAIGDS-QGZVFWFLSA-N 2 1 341.499 3.291 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@H](C)c1cccc2ccccc21 ZINC001317467423 1385161040 /nfs/dbraw/zinc/16/10/40/1385161040.db2.gz DQNGZJMTDAIGDS-QGZVFWFLSA-N 2 1 341.499 3.291 20 0 EGADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001174880777 1385164303 /nfs/dbraw/zinc/16/43/03/1385164303.db2.gz HJPRHYCAKZGETF-IEBWSBKVSA-N 2 1 337.552 3.458 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@@H](CC)c1ccccc1 ZINC001317511967 1385223078 /nfs/dbraw/zinc/22/30/78/1385223078.db2.gz GHALTFFXTVPPTH-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1[C@@H](CC)c1ccccc1 ZINC001317511967 1385223084 /nfs/dbraw/zinc/22/30/84/1385223084.db2.gz GHALTFFXTVPPTH-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1[C@@H](CC)c1ccccc1 ZINC001317511967 1385223087 /nfs/dbraw/zinc/22/30/87/1385223087.db2.gz GHALTFFXTVPPTH-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175256914 1385230529 /nfs/dbraw/zinc/23/05/29/1385230529.db2.gz QLKOOQUYCBAJEM-ZWKOTPCHSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175256889 1385230973 /nfs/dbraw/zinc/23/09/73/1385230973.db2.gz PVZJCEMHQJPUIP-MSOLQXFVSA-N 2 1 349.563 3.316 20 0 EGADMP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175256573 1385231095 /nfs/dbraw/zinc/23/10/95/1385231095.db2.gz MGXJADATCQFVPU-RJCMGOLDSA-N 2 1 337.552 3.482 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175256259 1385231148 /nfs/dbraw/zinc/23/11/48/1385231148.db2.gz JZYHTSMEPPDEFZ-ZWKOTPCHSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175257335 1385231692 /nfs/dbraw/zinc/23/16/92/1385231692.db2.gz ZOKCEKJHQQRSJE-DLBZAZTESA-N 2 1 349.494 3.075 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001317528529 1385250718 /nfs/dbraw/zinc/25/07/18/1385250718.db2.gz JLXBWFHQSXKVKG-SFHVURJKSA-N 2 1 346.519 3.025 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001317528529 1385250722 /nfs/dbraw/zinc/25/07/22/1385250722.db2.gz JLXBWFHQSXKVKG-SFHVURJKSA-N 2 1 346.519 3.025 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)CCCC[NH2+]CCCF ZINC001175564704 1385333612 /nfs/dbraw/zinc/33/36/12/1385333612.db2.gz DNEOVFVBSYPDLE-INIZCTEOSA-N 2 1 340.487 3.021 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001317636400 1385367546 /nfs/dbraw/zinc/36/75/46/1385367546.db2.gz NQXZGCZJHALAJC-VQIMIIECSA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001317808117 1385504773 /nfs/dbraw/zinc/50/47/73/1385504773.db2.gz CJWYHLHTZXTCPQ-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CN1CC[NH+](Cc2ccccc2Nc2ccc(C[NH+](C)C)cc2)CC1 ZINC001176291385 1385540914 /nfs/dbraw/zinc/54/09/14/1385540914.db2.gz DCPLHTGZODYGRJ-UHFFFAOYSA-N 2 1 338.499 3.239 20 0 EGADMP CC[C@@H](C(=O)NC1C[NH+]([C@@H](CC)c2ccccc2)C1)[NH+](CC)CC ZINC001318061545 1385621279 /nfs/dbraw/zinc/62/12/79/1385621279.db2.gz XMDQSXZEYARXIH-OALUTQOASA-N 2 1 331.504 3.059 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH2+]CC1CCC(C)CC1 ZINC001176591036 1385635209 /nfs/dbraw/zinc/63/52/09/1385635209.db2.gz GMAAUQAWCKCZPM-TVRKMHQQSA-N 2 1 348.535 3.282 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001176759573 1385687269 /nfs/dbraw/zinc/68/72/69/1385687269.db2.gz KCGADSOLHXUPFJ-PXNSSMCTSA-N 2 1 345.531 3.354 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176819506 1385712555 /nfs/dbraw/zinc/71/25/55/1385712555.db2.gz BGNVNARMCPGFPL-IBGZPJMESA-N 2 1 347.547 3.429 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176819506 1385712559 /nfs/dbraw/zinc/71/25/59/1385712559.db2.gz BGNVNARMCPGFPL-IBGZPJMESA-N 2 1 347.547 3.429 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001176855861 1385725581 /nfs/dbraw/zinc/72/55/81/1385725581.db2.gz DZPGVWNSOKGNFT-HDICACEKSA-N 2 1 337.552 3.316 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC001176991412 1385765751 /nfs/dbraw/zinc/76/57/51/1385765751.db2.gz ATKISXPVWLHHDL-VQTJNVASSA-N 2 1 343.515 3.034 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1(C[NH2+]Cc2c(C)cccc2C)CCCC1 ZINC001318664708 1385824540 /nfs/dbraw/zinc/82/45/40/1385824540.db2.gz OFARHOVWXWYOBF-UHFFFAOYSA-N 2 1 345.531 3.164 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001177339272 1385919059 /nfs/dbraw/zinc/91/90/59/1385919059.db2.gz AUCFWEMRJVRIPO-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001177342444 1385921188 /nfs/dbraw/zinc/92/11/88/1385921188.db2.gz NHTPREDBPWUYRQ-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(CCC[NH2+]CCCF)CC1CCCC1 ZINC001177466992 1385967588 /nfs/dbraw/zinc/96/75/88/1385967588.db2.gz OYIZFELPDKYYHF-UHFFFAOYSA-N 2 1 343.531 3.076 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC2(CC[NH+](CC3CCCCC3)C2)CC1 ZINC001319144142 1385977025 /nfs/dbraw/zinc/97/70/25/1385977025.db2.gz BDTPFOKNBQHYSW-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC2(CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001319144142 1385977029 /nfs/dbraw/zinc/97/70/29/1385977029.db2.gz BDTPFOKNBQHYSW-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001178490385 1386234509 /nfs/dbraw/zinc/23/45/09/1386234509.db2.gz LOTBYVVPHOIZGE-GOSISDBHSA-N 2 1 337.552 3.316 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178689728 1386278695 /nfs/dbraw/zinc/27/86/95/1386278695.db2.gz XERKHCXWCKPVEE-AMIRNFFCSA-N 2 1 335.536 3.185 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]CC2CCC2)C1 ZINC001178688860 1386279104 /nfs/dbraw/zinc/27/91/04/1386279104.db2.gz QTWCDJCECWEESZ-LJQANCHMSA-N 2 1 337.552 3.031 20 0 EGADMP CC(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001178693577 1386280329 /nfs/dbraw/zinc/28/03/29/1386280329.db2.gz WRTRTZSCBCOQDW-IBGZPJMESA-N 2 1 337.552 3.316 20 0 EGADMP C[N@@H+](CC(=O)NCCCCCC[NH2+]CCC1CCCC1)C1CCC1 ZINC001178705413 1386285043 /nfs/dbraw/zinc/28/50/43/1386285043.db2.gz PSGQWLVVKPSVAQ-UHFFFAOYSA-N 2 1 337.552 3.317 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001179032795 1386383130 /nfs/dbraw/zinc/38/31/30/1386383130.db2.gz FOIMJPGOGOOYOB-UHFFFAOYSA-N 2 1 348.535 3.074 20 0 EGADMP Cc1c(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)ccc2c[nH+]cn21 ZINC001319984454 1386435151 /nfs/dbraw/zinc/43/51/51/1386435151.db2.gz GXTAIJILTVJURU-OAHLLOKOSA-N 2 1 328.460 3.027 20 0 EGADMP Cc1c(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)ccc2c[nH+]cn21 ZINC001319984453 1386435189 /nfs/dbraw/zinc/43/51/89/1386435189.db2.gz GXTAIJILTVJURU-HNNXBMFYSA-N 2 1 328.460 3.027 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]2C)C1 ZINC001179388489 1386471438 /nfs/dbraw/zinc/47/14/38/1386471438.db2.gz JLQUYJRVVZHZFF-BZSNNMDCSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C)c1ccccc1 ZINC001179549557 1386511902 /nfs/dbraw/zinc/51/19/02/1386511902.db2.gz DXODJTZKQHYSRI-LNLFQRSKSA-N 2 1 345.531 3.305 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001179580252 1386521848 /nfs/dbraw/zinc/52/18/48/1386521848.db2.gz AVMNXSRQPFTRBF-SFHVURJKSA-N 2 1 349.563 3.317 20 0 EGADMP CC(C)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001179592747 1386527029 /nfs/dbraw/zinc/52/70/29/1386527029.db2.gz LMJKRWPZJHAIAU-UHFFFAOYSA-N 2 1 347.547 3.083 20 0 EGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001320138100 1386532618 /nfs/dbraw/zinc/53/26/18/1386532618.db2.gz WVOGJYYMQRLXCC-IXDOHACOSA-N 2 1 339.524 3.238 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001179714516 1386562558 /nfs/dbraw/zinc/56/25/58/1386562558.db2.gz XWWVZXBYWFEVIM-UHFFFAOYSA-N 2 1 334.508 3.239 20 0 EGADMP CCCCCC[NH2+]CCCCCCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001179776766 1386581518 /nfs/dbraw/zinc/58/15/18/1386581518.db2.gz IKQQIUSHLZXMOM-QGZVFWFLSA-N 2 1 336.524 3.435 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179788150 1386586013 /nfs/dbraw/zinc/58/60/13/1386586013.db2.gz OLRQNURTHDTPOQ-UXHICEINSA-N 2 1 349.563 3.460 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C(C)C)[C@@H]1C ZINC001179983333 1386658016 /nfs/dbraw/zinc/65/80/16/1386658016.db2.gz WNQNHGXLHBCJTK-PXNSSMCTSA-N 2 1 345.531 3.231 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]C(C)C ZINC001180035606 1386675746 /nfs/dbraw/zinc/67/57/46/1386675746.db2.gz LETGRNUUGKKDKR-SFHVURJKSA-N 2 1 325.541 3.316 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCCCCCC[NH2+]CCC2CCCC2)C1 ZINC001180065349 1386685465 /nfs/dbraw/zinc/68/54/65/1386685465.db2.gz OJNGFFVMFIOZTA-IBGZPJMESA-N 2 1 337.552 3.175 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001180117822 1386701875 /nfs/dbraw/zinc/70/18/75/1386701875.db2.gz FKRGKNKLBRAGPT-UHFFFAOYSA-N 2 1 337.552 3.485 20 0 EGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001180352992 1386772656 /nfs/dbraw/zinc/77/26/56/1386772656.db2.gz XPBMKUFZUQEXQU-QCUQMOABSA-N 2 1 337.552 3.482 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001180369490 1386775790 /nfs/dbraw/zinc/77/57/90/1386775790.db2.gz IQNMEJFOQAILTM-UHFFFAOYSA-N 2 1 327.557 3.419 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCC2CCCC2)C1 ZINC001698674683 1406323474 /nfs/dbraw/zinc/32/34/74/1406323474.db2.gz ROULXFDNEJLXAM-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP COc1cc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)ccn1 ZINC001181276601 1386970978 /nfs/dbraw/zinc/97/09/78/1386970978.db2.gz OTKAKVJNDHGFEU-VQIMIIECSA-N 2 1 331.504 3.408 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001322079854 1387047500 /nfs/dbraw/zinc/04/75/00/1387047500.db2.gz LLCUYXDGZVSUIB-JKSUJKDBSA-N 2 1 342.487 3.170 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@]1(C)C[NH2+]CC1CCCCC1 ZINC001181903958 1387073686 /nfs/dbraw/zinc/07/36/86/1387073686.db2.gz NBDBDQRSOYTZTH-SLYNCCJLSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](C)C1(C(=O)Nc2cccc3c2C[N@H+](C)C[C@@H]3c2ccccc2)CC1 ZINC001182597182 1387194199 /nfs/dbraw/zinc/19/41/99/1387194199.db2.gz MAPXFKWMKASOEH-GOSISDBHSA-N 2 1 349.478 3.297 20 0 EGADMP C[NH+](C)C1(C(=O)Nc2cccc3c2C[N@@H+](C)C[C@@H]3c2ccccc2)CC1 ZINC001182597182 1387194201 /nfs/dbraw/zinc/19/42/01/1387194201.db2.gz MAPXFKWMKASOEH-GOSISDBHSA-N 2 1 349.478 3.297 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001182693016 1387207832 /nfs/dbraw/zinc/20/78/32/1387207832.db2.gz QPPHFEFNYVIHCG-JKSUJKDBSA-N 2 1 334.508 3.023 20 0 EGADMP CC[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001182776385 1387222796 /nfs/dbraw/zinc/22/27/96/1387222796.db2.gz WHYPMHOHBUEXNL-MBOZVWFJSA-N 2 1 348.535 3.127 20 0 EGADMP CN(C)c1c(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)ccc(F)c1F ZINC001336887617 1389196975 /nfs/dbraw/zinc/19/69/75/1389196975.db2.gz DHYJRULCQJIGMX-IMJJTQAJSA-N 2 1 337.458 3.193 20 0 EGADMP COc1ccccc1-c1nc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)co1 ZINC001329754699 1389219013 /nfs/dbraw/zinc/21/90/13/1389219013.db2.gz MQMRYVIMBHZLGF-UHFFFAOYSA-N 2 1 341.455 3.316 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)C1 ZINC001340514730 1390302957 /nfs/dbraw/zinc/30/29/57/1390302957.db2.gz LPRNXFGVBFQAPA-SJORKVTESA-N 2 1 329.488 3.196 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)o1 ZINC001333890422 1390431113 /nfs/dbraw/zinc/43/11/13/1390431113.db2.gz CLWWKCAPVVLLHQ-JZXOWHBKSA-N 2 1 342.487 3.151 20 0 EGADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC001334309361 1390514776 /nfs/dbraw/zinc/51/47/76/1390514776.db2.gz SNFWIQPPFPBRGT-UFYCRDLUSA-N 2 1 343.515 3.098 20 0 EGADMP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@@H](O)c2c(F)cccc2F)n1 ZINC001335063511 1390637072 /nfs/dbraw/zinc/63/70/72/1390637072.db2.gz ZVQZRDFNQDLYCD-RHSMWYFYSA-N 2 1 347.409 3.278 20 0 EGADMP Cc1cccc(NC[C@H]2CCCN2C[C@@H](O)c2c(F)cccc2F)n1 ZINC001335063511 1390637076 /nfs/dbraw/zinc/63/70/76/1390637076.db2.gz ZVQZRDFNQDLYCD-RHSMWYFYSA-N 2 1 347.409 3.278 20 0 EGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001343333053 1390707615 /nfs/dbraw/zinc/70/76/15/1390707615.db2.gz MGKGPYWCJVUAAY-OKZBNKHCSA-N 2 1 332.536 3.417 20 0 EGADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1OC ZINC001343334538 1390707967 /nfs/dbraw/zinc/70/79/67/1390707967.db2.gz UBHRUJBYBVDNGX-RYQLBKOJSA-N 2 1 332.488 3.174 20 0 EGADMP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3cccc4ccoc43)c2)CC1 ZINC001344063627 1390753197 /nfs/dbraw/zinc/75/31/97/1390753197.db2.gz WARHAXIVUQBOBV-UHFFFAOYSA-N 2 1 349.478 3.470 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@H](Cc4nccn4C)C3)cc2)cn1 ZINC001344377669 1390787694 /nfs/dbraw/zinc/78/76/94/1390787694.db2.gz IOFKXSZKRWKCDF-GOSISDBHSA-N 2 1 349.482 3.275 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001344430661 1390790936 /nfs/dbraw/zinc/79/09/36/1390790936.db2.gz YNCBAMOBYWFHBW-GVDBMIGSSA-N 2 1 339.524 3.096 20 0 EGADMP COC(=O)c1cccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC001344442644 1390791611 /nfs/dbraw/zinc/79/16/11/1390791611.db2.gz OZWNFCNIDOMAQD-UHFFFAOYSA-N 2 1 338.451 3.011 20 0 EGADMP COC(=O)c1cccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC001344442644 1390791612 /nfs/dbraw/zinc/79/16/12/1390791612.db2.gz OZWNFCNIDOMAQD-UHFFFAOYSA-N 2 1 338.451 3.011 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CN3C[C@](C)(C4CCCC4)CC3=O)C[C@H]2C1 ZINC001345108204 1390838029 /nfs/dbraw/zinc/83/80/29/1390838029.db2.gz JDONQLPWMXOTMT-VGUOSERISA-N 2 1 347.547 3.035 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001346017753 1390901257 /nfs/dbraw/zinc/90/12/57/1390901257.db2.gz PFHPCKOYFVWWJA-KRWDZBQOSA-N 2 1 329.488 3.096 20 0 EGADMP COc1cccc(SCC[N@H+]2CCC[C@H](Cc3nccn3C)C2)c1 ZINC001347105113 1391001248 /nfs/dbraw/zinc/00/12/48/1391001248.db2.gz UPEHPORUXNQFRL-MRXNPFEDSA-N 2 1 345.512 3.476 20 0 EGADMP Fc1ccc(-c2cc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)on2)cc1 ZINC001349390030 1391326457 /nfs/dbraw/zinc/32/64/57/1391326457.db2.gz RVUKKWDCOCOGTG-UHFFFAOYSA-N 2 1 329.419 3.446 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cn3ccc(-c4ccsc4)n3)C[C@@H]2C1 ZINC001352760943 1391843943 /nfs/dbraw/zinc/84/39/43/1391843943.db2.gz MWTJRBYOMUTQSU-BHYGNILZSA-N 2 1 330.501 3.231 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001698845892 1406546397 /nfs/dbraw/zinc/54/63/97/1406546397.db2.gz QNMSBJVXESOIRD-ZWKOTPCHSA-N 2 1 347.547 3.470 20 0 EGADMP C[C@@H]([NH2+]CC1CC1)[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001479826887 1392414418 /nfs/dbraw/zinc/41/44/18/1392414418.db2.gz OXPCXYIPKPITFB-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001479907142 1392474614 /nfs/dbraw/zinc/47/46/14/1392474614.db2.gz LJEKHGPDEBLNDV-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001479907142 1392474617 /nfs/dbraw/zinc/47/46/17/1392474617.db2.gz LJEKHGPDEBLNDV-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001479907142 1392474620 /nfs/dbraw/zinc/47/46/20/1392474620.db2.gz LJEKHGPDEBLNDV-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001480382166 1392726073 /nfs/dbraw/zinc/72/60/73/1392726073.db2.gz HQLNYJAQPOVVAB-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CCc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001480733225 1392897553 /nfs/dbraw/zinc/89/75/53/1392897553.db2.gz KEVXKGHXSWYMQD-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480735783 1392900953 /nfs/dbraw/zinc/90/09/53/1392900953.db2.gz YJXFMPFBWZYAKI-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001480863780 1392987631 /nfs/dbraw/zinc/98/76/31/1392987631.db2.gz GIIOBCOYZKRDBB-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001480863780 1392987635 /nfs/dbraw/zinc/98/76/35/1392987635.db2.gz GIIOBCOYZKRDBB-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001480863780 1392987639 /nfs/dbraw/zinc/98/76/39/1392987639.db2.gz GIIOBCOYZKRDBB-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CCC(C)(C)CC1 ZINC001480865073 1392987781 /nfs/dbraw/zinc/98/77/81/1392987781.db2.gz ZZZPFCMWYZRYTC-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC1CCC(C)(C)CC1 ZINC001480865073 1392987782 /nfs/dbraw/zinc/98/77/82/1392987782.db2.gz ZZZPFCMWYZRYTC-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001480865073 1392987784 /nfs/dbraw/zinc/98/77/84/1392987784.db2.gz ZZZPFCMWYZRYTC-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)Cc1ccc(C)cc1C ZINC001480979393 1393063876 /nfs/dbraw/zinc/06/38/76/1393063876.db2.gz HXLOSXFECZGUMD-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC)Cc1ccc(C)cc1C ZINC001480979393 1393063880 /nfs/dbraw/zinc/06/38/80/1393063880.db2.gz HXLOSXFECZGUMD-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC)Cc1ccc(C)cc1C ZINC001480979393 1393063884 /nfs/dbraw/zinc/06/38/84/1393063884.db2.gz HXLOSXFECZGUMD-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC001481147585 1393133953 /nfs/dbraw/zinc/13/39/53/1393133953.db2.gz GOCSDRLCNHCRQI-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC001481147585 1393133955 /nfs/dbraw/zinc/13/39/55/1393133955.db2.gz GOCSDRLCNHCRQI-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCc1ccccc1C[N@@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001490335483 1393176010 /nfs/dbraw/zinc/17/60/10/1393176010.db2.gz OWWAYGKSUFQQHT-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCc1ccccc1C[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001490335483 1393176012 /nfs/dbraw/zinc/17/60/12/1393176012.db2.gz OWWAYGKSUFQQHT-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCc1ccccc1C[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001490335483 1393176014 /nfs/dbraw/zinc/17/60/14/1393176014.db2.gz OWWAYGKSUFQQHT-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)c1ccccc1 ZINC001481386494 1394225902 /nfs/dbraw/zinc/22/59/02/1394225902.db2.gz SFTGOGAJLJPKDA-RLLQIKCJSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1ccccc1 ZINC001481386494 1394225906 /nfs/dbraw/zinc/22/59/06/1394225906.db2.gz SFTGOGAJLJPKDA-RLLQIKCJSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1ccccc1 ZINC001481386494 1394225908 /nfs/dbraw/zinc/22/59/08/1394225908.db2.gz SFTGOGAJLJPKDA-RLLQIKCJSA-N 2 1 343.515 3.155 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001490579500 1394272243 /nfs/dbraw/zinc/27/22/43/1394272243.db2.gz DAPBTGNAMLVUHF-IBGZPJMESA-N 2 1 335.536 3.023 20 0 EGADMP CC1CC(C[N@@H+](C)CCC2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001698951711 1406692918 /nfs/dbraw/zinc/69/29/18/1406692918.db2.gz HZUHTBUPMUFLSD-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[NH+](C)CCC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001698951711 1406692925 /nfs/dbraw/zinc/69/29/25/1406692925.db2.gz HZUHTBUPMUFLSD-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[NH+](C)CCC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001698951711 1406692927 /nfs/dbraw/zinc/69/29/27/1406692927.db2.gz HZUHTBUPMUFLSD-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001481773450 1394518254 /nfs/dbraw/zinc/51/82/54/1394518254.db2.gz VNWRPMRWGNIKBC-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001481839958 1394553465 /nfs/dbraw/zinc/55/34/65/1394553465.db2.gz HMBVEHMAOFGZIY-RBUKOAKNSA-N 2 1 345.531 3.063 20 0 EGADMP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)CCCn1cc[nH+]c1C)CC2 ZINC001482071890 1394735403 /nfs/dbraw/zinc/73/54/03/1394735403.db2.gz LYBBIBPQZGXKPP-UHFFFAOYSA-N 2 1 346.519 3.086 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)CCCn1cc[nH+]c1C)CC2 ZINC001482071890 1394735407 /nfs/dbraw/zinc/73/54/07/1394735407.db2.gz LYBBIBPQZGXKPP-UHFFFAOYSA-N 2 1 346.519 3.086 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[C@](C)(C[NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001484106441 1395254599 /nfs/dbraw/zinc/25/45/99/1395254599.db2.gz HEPDGBCORGRVBD-OAQYLSRUSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@]2(C)CCC[N@@H+](CCCC3CCC3)C2)CCC1 ZINC001484159456 1395295021 /nfs/dbraw/zinc/29/50/21/1395295021.db2.gz AZBGFIXRFVXEMN-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)CC1)[NH+](C)C ZINC001484716079 1395476534 /nfs/dbraw/zinc/47/65/34/1395476534.db2.gz CBUXBMAJVKDHFT-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001484769007 1395526340 /nfs/dbraw/zinc/52/63/40/1395526340.db2.gz KNQGHLBFUJGZQI-LJQANCHMSA-N 2 1 345.531 3.404 20 0 EGADMP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001485300723 1395779054 /nfs/dbraw/zinc/77/90/54/1395779054.db2.gz FPMKFRRYASLCBB-MSOLQXFVSA-N 2 1 345.531 3.449 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001486185375 1396181369 /nfs/dbraw/zinc/18/13/69/1396181369.db2.gz AIBSYAJTUZDQHY-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001497323598 1396747752 /nfs/dbraw/zinc/74/77/52/1396747752.db2.gz QCYUHKSWDXKKSA-KBPBESRZSA-N 2 1 348.878 3.091 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001690049227 1404282239 /nfs/dbraw/zinc/28/22/39/1404282239.db2.gz ICEWRBJRAUCAOU-ICSRJNTNSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001690049227 1404282241 /nfs/dbraw/zinc/28/22/41/1404282241.db2.gz ICEWRBJRAUCAOU-ICSRJNTNSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001690049227 1404282243 /nfs/dbraw/zinc/28/22/43/1404282243.db2.gz ICEWRBJRAUCAOU-ICSRJNTNSA-N 2 1 345.531 3.369 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001690215938 1404424038 /nfs/dbraw/zinc/42/40/38/1404424038.db2.gz FEGQOKAVJWQUSC-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001725186958 1425721008 /nfs/dbraw/zinc/72/10/08/1425721008.db2.gz FYLATRKTONILQY-IAGOWNOFSA-N 2 1 345.531 3.015 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001725186958 1425721010 /nfs/dbraw/zinc/72/10/10/1425721010.db2.gz FYLATRKTONILQY-IAGOWNOFSA-N 2 1 345.531 3.015 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001725186958 1425721015 /nfs/dbraw/zinc/72/10/15/1425721015.db2.gz FYLATRKTONILQY-IAGOWNOFSA-N 2 1 345.531 3.015 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001690825042 1404762721 /nfs/dbraw/zinc/76/27/21/1404762721.db2.gz QCNNSGAAOKGWCV-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001690825042 1404762724 /nfs/dbraw/zinc/76/27/24/1404762724.db2.gz QCNNSGAAOKGWCV-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001690825042 1404762725 /nfs/dbraw/zinc/76/27/25/1404762725.db2.gz QCNNSGAAOKGWCV-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)Cc1cccc(F)c1 ZINC001691043338 1404954079 /nfs/dbraw/zinc/95/40/79/1404954079.db2.gz HLYUWGLDKUJJSM-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)Cc1cccc(F)c1 ZINC001691043338 1404954083 /nfs/dbraw/zinc/95/40/83/1404954083.db2.gz HLYUWGLDKUJJSM-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC[NH2+][C@H](C)c2ccccc2C)C1 ZINC001691441362 1405271401 /nfs/dbraw/zinc/27/14/01/1405271401.db2.gz OPSCDYYFAZVQEX-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@@H](CNC(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001691709367 1405437567 /nfs/dbraw/zinc/43/75/67/1405437567.db2.gz ZGZJEPJAQVHGBH-CADBVGFASA-N 2 1 349.563 3.172 20 0 EGADMP CCCN(C(=O)C[NH+](C)CCC)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001732040671 1428269555 /nfs/dbraw/zinc/26/95/55/1428269555.db2.gz JFLXPPBNXRTLFV-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)C[N@H+](C)CCC)[C@@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001732040671 1428269557 /nfs/dbraw/zinc/26/95/57/1428269557.db2.gz JFLXPPBNXRTLFV-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CCC)[C@@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001732040671 1428269561 /nfs/dbraw/zinc/26/95/61/1428269561.db2.gz JFLXPPBNXRTLFV-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001732153434 1428397413 /nfs/dbraw/zinc/39/74/13/1428397413.db2.gz WYKRLWSPEQRACL-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001732153434 1428397415 /nfs/dbraw/zinc/39/74/15/1428397415.db2.gz WYKRLWSPEQRACL-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001732488895 1428611686 /nfs/dbraw/zinc/61/16/86/1428611686.db2.gz ONNBXOSWAMFOCX-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@]1(C)CCC[NH+](Cc2cccc(C)c2)C1 ZINC001699876305 1413333435 /nfs/dbraw/zinc/33/34/35/1413333435.db2.gz DKQBECCCOHSUAF-OAQYLSRUSA-N 2 1 345.531 3.055 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@H+](Cc2cccc(C)c2)C1 ZINC001699876305 1413333438 /nfs/dbraw/zinc/33/34/38/1413333438.db2.gz DKQBECCCOHSUAF-OAQYLSRUSA-N 2 1 345.531 3.055 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC001699876305 1413333441 /nfs/dbraw/zinc/33/34/41/1413333441.db2.gz DKQBECCCOHSUAF-OAQYLSRUSA-N 2 1 345.531 3.055 20 0 EGADMP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001699879499 1413344910 /nfs/dbraw/zinc/34/49/10/1413344910.db2.gz QIASOZFXRLJCBG-OAQYLSRUSA-N 2 1 345.531 3.137 20 0 EGADMP CCCC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001699879499 1413344914 /nfs/dbraw/zinc/34/49/14/1413344914.db2.gz QIASOZFXRLJCBG-OAQYLSRUSA-N 2 1 345.531 3.137 20 0 EGADMP CCCC[NH+]1CCC[C@](C)(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001699879499 1413344918 /nfs/dbraw/zinc/34/49/18/1413344918.db2.gz QIASOZFXRLJCBG-OAQYLSRUSA-N 2 1 345.531 3.137 20 0 EGADMP CCCC[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001699879499 1413344922 /nfs/dbraw/zinc/34/49/22/1413344922.db2.gz QIASOZFXRLJCBG-OAQYLSRUSA-N 2 1 345.531 3.137 20 0 EGADMP C[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCCC(C)(C)C)C[C@H]32)CC1 ZINC001700019638 1413466887 /nfs/dbraw/zinc/46/68/87/1413466887.db2.gz TUHZKBGMYFZBQV-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2csc(C)c2)CCC1 ZINC001700132035 1413548333 /nfs/dbraw/zinc/54/83/33/1413548333.db2.gz MQJKSFXZVSGKPX-KRWDZBQOSA-N 2 1 349.544 3.059 20 0 EGADMP CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1cc2ccccc2o1)[NH+](C)C ZINC001700194114 1413630019 /nfs/dbraw/zinc/63/00/19/1413630019.db2.gz JQCBPQOVRGYEBI-SFHVURJKSA-N 2 1 345.487 3.053 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+](CCC)C1 ZINC001700199112 1413641263 /nfs/dbraw/zinc/64/12/63/1413641263.db2.gz SYZHEWUKGUMODF-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+](CCC)C1 ZINC001700199112 1413641267 /nfs/dbraw/zinc/64/12/67/1413641267.db2.gz SYZHEWUKGUMODF-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+](CCC)C1 ZINC001700199112 1413641271 /nfs/dbraw/zinc/64/12/71/1413641271.db2.gz SYZHEWUKGUMODF-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CCCC1CCC1 ZINC001700314439 1413769743 /nfs/dbraw/zinc/76/97/43/1413769743.db2.gz SZTLFWFXHBZMTN-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CCCC1CCC1 ZINC001700314439 1413769746 /nfs/dbraw/zinc/76/97/46/1413769746.db2.gz SZTLFWFXHBZMTN-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CCCC1CCC1 ZINC001700314439 1413769748 /nfs/dbraw/zinc/76/97/48/1413769748.db2.gz SZTLFWFXHBZMTN-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+](CC(C)C)CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001700341743 1413825369 /nfs/dbraw/zinc/82/53/69/1413825369.db2.gz UKZHMZGVDLCYPJ-UHFFFAOYSA-N 2 1 348.535 3.188 20 0 EGADMP CC[N@@H+](CC(C)C)CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001700341743 1413825374 /nfs/dbraw/zinc/82/53/74/1413825374.db2.gz UKZHMZGVDLCYPJ-UHFFFAOYSA-N 2 1 348.535 3.188 20 0 EGADMP CCC(CC)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001700437449 1414006436 /nfs/dbraw/zinc/00/64/36/1414006436.db2.gz KYWHNJLPWOOBCJ-ACBHZAAOSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)CCC1CCCCCC1 ZINC001700459824 1414055645 /nfs/dbraw/zinc/05/56/45/1414055645.db2.gz FQWFAPZOQFOUKY-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001700482240 1414121484 /nfs/dbraw/zinc/12/14/84/1414121484.db2.gz XRRPWMXFGBIQOX-QUCCMNQESA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@@H](CC)c2ccc(F)cc2)C1 ZINC001700555800 1414225886 /nfs/dbraw/zinc/22/58/86/1414225886.db2.gz UDAYBTIWNRQVJO-KXBFYZLASA-N 2 1 349.494 3.055 20 0 EGADMP CCc1cccc(C[NH+]2CCC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H]2C)c1 ZINC001700885933 1414544554 /nfs/dbraw/zinc/54/45/54/1414544554.db2.gz AIDZQEAMWIPTLD-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[N@H+]2CCC[C@H](NC(=O)CC[NH+](C)CC)[C@@H]2C)c1 ZINC001700885933 1414544555 /nfs/dbraw/zinc/54/45/55/1414544555.db2.gz AIDZQEAMWIPTLD-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[N@@H+]2CCC[C@H](NC(=O)CC[NH+](C)CC)[C@@H]2C)c1 ZINC001700885933 1414544558 /nfs/dbraw/zinc/54/45/58/1414544558.db2.gz AIDZQEAMWIPTLD-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCC1CCCC1 ZINC001707442627 1417346754 /nfs/dbraw/zinc/34/67/54/1417346754.db2.gz HLVVDGXCSAKICY-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+](C)C)C1 ZINC001713142668 1417724650 /nfs/dbraw/zinc/72/46/50/1417724650.db2.gz CWPPGBAPJHPZEI-WCIQWLHISA-N 2 1 349.563 3.220 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001713219218 1417799474 /nfs/dbraw/zinc/79/94/74/1417799474.db2.gz LFGNCZDVYPVPCN-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001713399538 1418019442 /nfs/dbraw/zinc/01/94/42/1418019442.db2.gz OQOALAGDTCSZFF-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001713399538 1418019446 /nfs/dbraw/zinc/01/94/46/1418019446.db2.gz OQOALAGDTCSZFF-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001713399538 1418019449 /nfs/dbraw/zinc/01/94/49/1418019449.db2.gz OQOALAGDTCSZFF-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001713399537 1418019512 /nfs/dbraw/zinc/01/95/12/1418019512.db2.gz OQOALAGDTCSZFF-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001713399537 1418019516 /nfs/dbraw/zinc/01/95/16/1418019516.db2.gz OQOALAGDTCSZFF-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001713399537 1418019519 /nfs/dbraw/zinc/01/95/19/1418019519.db2.gz OQOALAGDTCSZFF-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@H](CC)c1ccccc1 ZINC001713454187 1418103270 /nfs/dbraw/zinc/10/32/70/1418103270.db2.gz CYQGFFAYSAONCH-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)[C@H](CC)c1ccccc1 ZINC001713454187 1418103273 /nfs/dbraw/zinc/10/32/73/1418103273.db2.gz CYQGFFAYSAONCH-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)[C@H](CC)c1ccccc1 ZINC001713454187 1418103274 /nfs/dbraw/zinc/10/32/74/1418103274.db2.gz CYQGFFAYSAONCH-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@H](C(=O)NCC[N@@H+](C)Cc1c(C)ccc2ccccc21)[NH+](C)C ZINC001713473264 1418147125 /nfs/dbraw/zinc/14/71/25/1418147125.db2.gz SFZXNBJQCIJNTR-HXUWFJFHSA-N 2 1 341.499 3.036 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)Cc1ccc(F)cc1 ZINC001713551904 1418335703 /nfs/dbraw/zinc/33/57/03/1418335703.db2.gz FCIKVDXELWGHRG-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)Cc1ccc(F)cc1 ZINC001713551904 1418335710 /nfs/dbraw/zinc/33/57/10/1418335710.db2.gz FCIKVDXELWGHRG-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP CC1CC[NH+](CC(=O)N2CC[C@H](C[N@@H+](C)CCCC3CCC3)C2)CC1 ZINC001713757235 1418562645 /nfs/dbraw/zinc/56/26/45/1418562645.db2.gz FOUIBISZTLIRJL-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001714137885 1418940751 /nfs/dbraw/zinc/94/07/51/1418940751.db2.gz GXIKVOLTBVHLTG-SFHVURJKSA-N 2 1 348.535 3.379 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCc2ccc(C[NH2+]CC(C)C)cc2)C1 ZINC001714321086 1419099451 /nfs/dbraw/zinc/09/94/51/1419099451.db2.gz MVMRRGXEIOXCML-FQEVSTJZSA-N 2 1 345.531 3.170 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)[C@@H](CC)C1 ZINC001733203846 1429309218 /nfs/dbraw/zinc/30/92/18/1429309218.db2.gz YNALQMUHIWAACO-VQTJNVASSA-N 2 1 345.531 3.054 20 0 EGADMP CC[C@H](C(=O)N1CCC2(CC[N@@H+](CC3CCC3)C2)CC1)[NH+](CC)CC ZINC001714366096 1419125910 /nfs/dbraw/zinc/12/59/10/1419125910.db2.gz MAMUAJOKFQASHP-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c(C)c1 ZINC001714445519 1419177304 /nfs/dbraw/zinc/17/73/04/1419177304.db2.gz JWNZPGDILCSGGP-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCC1([NH2+]CC2CCC2)CCCC1)c1ccccc1 ZINC001714513623 1419240610 /nfs/dbraw/zinc/24/06/10/1419240610.db2.gz ICUKSWHQZWWQIM-LJQANCHMSA-N 2 1 343.515 3.108 20 0 EGADMP C[C@@H](c1ccc2ccccc2c1)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001714539917 1419265978 /nfs/dbraw/zinc/26/59/78/1419265978.db2.gz SDCKPRHQKARAJW-OXJNMPFZSA-N 2 1 339.483 3.043 20 0 EGADMP C[C@@H](c1ccc2ccccc2c1)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001714539917 1419265982 /nfs/dbraw/zinc/26/59/82/1419265982.db2.gz SDCKPRHQKARAJW-OXJNMPFZSA-N 2 1 339.483 3.043 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CCCC(C)(C)C)C1CC1 ZINC001714666784 1419455258 /nfs/dbraw/zinc/45/52/58/1419455258.db2.gz UICZHZQWTVWCRP-GOSISDBHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CCCC(C)(C)C)C1CC1 ZINC001714666784 1419455259 /nfs/dbraw/zinc/45/52/59/1419455259.db2.gz UICZHZQWTVWCRP-GOSISDBHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CCCC(C)(C)C)C1CC1 ZINC001714666784 1419455261 /nfs/dbraw/zinc/45/52/61/1419455261.db2.gz UICZHZQWTVWCRP-GOSISDBHSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1CC[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001714885399 1419625874 /nfs/dbraw/zinc/62/58/74/1419625874.db2.gz WPTCKFLIPYWIKG-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001714885399 1419625876 /nfs/dbraw/zinc/62/58/76/1419625876.db2.gz WPTCKFLIPYWIKG-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001714885399 1419625879 /nfs/dbraw/zinc/62/58/79/1419625879.db2.gz WPTCKFLIPYWIKG-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001715033375 1419766880 /nfs/dbraw/zinc/76/68/80/1419766880.db2.gz VYOHJQDWVRZPMV-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001715039868 1419777291 /nfs/dbraw/zinc/77/72/91/1419777291.db2.gz PBNHCTBPZJQHLA-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)C[N@H+](C)C1CCC1)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001715039868 1419777294 /nfs/dbraw/zinc/77/72/94/1419777294.db2.gz PBNHCTBPZJQHLA-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)C[N@@H+](C)C1CCC1)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001715039868 1419777298 /nfs/dbraw/zinc/77/72/98/1419777298.db2.gz PBNHCTBPZJQHLA-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001715044304 1419784592 /nfs/dbraw/zinc/78/45/92/1419784592.db2.gz OKNMPIHLSVIZGU-OALUTQOASA-N 2 1 345.531 3.321 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC2CCC(C)(C)CC2)CCCC1 ZINC001715087857 1419827719 /nfs/dbraw/zinc/82/77/19/1419827719.db2.gz CXTCOCDFFPHFJN-SFHVURJKSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1cc(C)cc(C)c1 ZINC001715540148 1420237839 /nfs/dbraw/zinc/23/78/39/1420237839.db2.gz RQGAUCTVKGEXAJ-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC001715540148 1420237840 /nfs/dbraw/zinc/23/78/40/1420237840.db2.gz RQGAUCTVKGEXAJ-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC001715540148 1420237842 /nfs/dbraw/zinc/23/78/42/1420237842.db2.gz RQGAUCTVKGEXAJ-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC(C)c1ccccc1C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001716018875 1420473765 /nfs/dbraw/zinc/47/37/65/1420473765.db2.gz BMUKUIHRQMTFCE-KRWDZBQOSA-N 2 1 345.531 3.231 20 0 EGADMP CC(C)c1ccccc1C[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001716018875 1420473767 /nfs/dbraw/zinc/47/37/67/1420473767.db2.gz BMUKUIHRQMTFCE-KRWDZBQOSA-N 2 1 345.531 3.231 20 0 EGADMP CC(C)c1ccccc1C[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001716018875 1420473768 /nfs/dbraw/zinc/47/37/68/1420473768.db2.gz BMUKUIHRQMTFCE-KRWDZBQOSA-N 2 1 345.531 3.231 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2CC)C[C@H]1C ZINC001716771069 1420915038 /nfs/dbraw/zinc/91/50/38/1420915038.db2.gz QXOLFJNFNZZPAS-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001716880527 1421004927 /nfs/dbraw/zinc/00/49/27/1421004927.db2.gz OTGMHKRCBBUPFJ-JXFKEZNVSA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001717203165 1421172152 /nfs/dbraw/zinc/17/21/52/1421172152.db2.gz LRLHEOIKLBBXAT-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001717203165 1421172153 /nfs/dbraw/zinc/17/21/53/1421172153.db2.gz LRLHEOIKLBBXAT-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@H](C)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001717203165 1421172154 /nfs/dbraw/zinc/17/21/54/1421172154.db2.gz LRLHEOIKLBBXAT-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@H](C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001717203165 1421172155 /nfs/dbraw/zinc/17/21/55/1421172155.db2.gz LRLHEOIKLBBXAT-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CCc1cccc(C[N@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)c1 ZINC001717338071 1421275356 /nfs/dbraw/zinc/27/53/56/1421275356.db2.gz PKHSJDKFOMFCLF-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)CC1(C)C)[NH+](C)C ZINC001717585853 1421513366 /nfs/dbraw/zinc/51/33/66/1421513366.db2.gz YZHIUXYJNYJAAS-ZWKOTPCHSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cccc(CC)c2)C[C@H]1C ZINC001717826687 1421640404 /nfs/dbraw/zinc/64/04/04/1421640404.db2.gz DOECLAGMIWHMSP-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(F)cc2)[C@H]1C ZINC001717860909 1421673755 /nfs/dbraw/zinc/67/37/55/1421673755.db2.gz RFSRLIABEGBGGL-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)[C@H]1C ZINC001717860909 1421673757 /nfs/dbraw/zinc/67/37/57/1421673757.db2.gz RFSRLIABEGBGGL-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)[C@H]1C ZINC001717860909 1421673759 /nfs/dbraw/zinc/67/37/59/1421673759.db2.gz RFSRLIABEGBGGL-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C[C@@H]1C ZINC001733335173 1429519848 /nfs/dbraw/zinc/51/98/48/1429519848.db2.gz FWIRVQPAJFUBPG-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2F)C[C@H]1C ZINC001733336403 1429521555 /nfs/dbraw/zinc/52/15/55/1429521555.db2.gz UGQDAPYWAAOXIS-SJLPKXTDSA-N 2 1 349.494 3.027 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001723457033 1424416611 /nfs/dbraw/zinc/41/66/11/1424416611.db2.gz FTQAFMFVLFYIIZ-YJBOKZPZSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001723457033 1424416614 /nfs/dbraw/zinc/41/66/14/1424416614.db2.gz FTQAFMFVLFYIIZ-YJBOKZPZSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@@H](c1cccc(F)c1)[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001723457033 1424416618 /nfs/dbraw/zinc/41/66/18/1424416618.db2.gz FTQAFMFVLFYIIZ-YJBOKZPZSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@@H](c1cccc(F)c1)[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001723457033 1424416620 /nfs/dbraw/zinc/41/66/20/1424416620.db2.gz FTQAFMFVLFYIIZ-YJBOKZPZSA-N 2 1 349.494 3.055 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001723483890 1424435827 /nfs/dbraw/zinc/43/58/27/1424435827.db2.gz KZDMLWPMWQUKPX-MOPGFXCFSA-N 2 1 343.515 3.123 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)C[C@@H]1C ZINC001723877242 1424595712 /nfs/dbraw/zinc/59/57/12/1424595712.db2.gz TYRPHLXQQKOLLP-HWJGFJICSA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001724172518 1424706241 /nfs/dbraw/zinc/70/62/41/1424706241.db2.gz BPYBLDQPONKZJM-AZUAARDMSA-N 2 1 343.515 3.060 20 0 EGADMP Cc1cccc(C[N@@H+]2CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001724330668 1424823979 /nfs/dbraw/zinc/82/39/79/1424823979.db2.gz QDPSRBXBODJIBU-OAQYLSRUSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001724554863 1424910503 /nfs/dbraw/zinc/91/05/03/1424910503.db2.gz NVFQSQQUJGFAIA-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1CCC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC001724834866 1425181818 /nfs/dbraw/zinc/18/18/18/1425181818.db2.gz HAHHQDORRHCNFJ-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1CCC[N@H+](CC2CC2)CC1)C1CCCCC1 ZINC001724834866 1425181820 /nfs/dbraw/zinc/18/18/20/1425181820.db2.gz HAHHQDORRHCNFJ-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1CCC[N@@H+](CC2CC2)CC1)C1CCCCC1 ZINC001724834866 1425181823 /nfs/dbraw/zinc/18/18/23/1425181823.db2.gz HAHHQDORRHCNFJ-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1CCC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC001724834867 1425181957 /nfs/dbraw/zinc/18/19/57/1425181957.db2.gz HAHHQDORRHCNFJ-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCC(=O)N[C@H]1CCC[N@H+](CC2CC2)CC1)C1CCCCC1 ZINC001724834867 1425181959 /nfs/dbraw/zinc/18/19/59/1425181959.db2.gz HAHHQDORRHCNFJ-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCC(=O)N[C@H]1CCC[N@@H+](CC2CC2)CC1)C1CCCCC1 ZINC001724834867 1425181963 /nfs/dbraw/zinc/18/19/63/1425181963.db2.gz HAHHQDORRHCNFJ-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001724850464 1425211633 /nfs/dbraw/zinc/21/16/33/1425211633.db2.gz FQUXYNBTNVTQLO-KRWDZBQOSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001724851810 1425216142 /nfs/dbraw/zinc/21/61/42/1425216142.db2.gz MCUUAHWHFJQRLA-OAHLLOKOSA-N 2 1 330.476 3.083 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CCC2CCCCCC2)[C@@H](C)C1 ZINC001724943433 1425327874 /nfs/dbraw/zinc/32/78/74/1425327874.db2.gz GQBXPLBHQHRBBM-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001725003064 1425413405 /nfs/dbraw/zinc/41/34/05/1425413405.db2.gz NFORVTMBAWZDEI-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CCCC1CCCC1 ZINC001725004134 1425417070 /nfs/dbraw/zinc/41/70/70/1425417070.db2.gz UOZQRODXLWYEGG-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCCC(C)(C)C)CC1 ZINC001725190078 1425733006 /nfs/dbraw/zinc/73/30/06/1425733006.db2.gz ZPAZGYLONKJYKE-QGZVFWFLSA-N 2 1 339.568 3.370 20 0 EGADMP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)CCCC1CCCC1 ZINC001725190430 1425734616 /nfs/dbraw/zinc/73/46/16/1425734616.db2.gz NXOGRDIZVWMMTR-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1c(C)cccc1C)C(C)(C)C ZINC001725753606 1426432534 /nfs/dbraw/zinc/43/25/34/1426432534.db2.gz WLIYGLPDPRYCAN-IBGZPJMESA-N 2 1 347.547 3.266 20 0 EGADMP C[N@@H+](CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)(C)C)C1CCC1 ZINC001731464408 1427441748 /nfs/dbraw/zinc/44/17/48/1427441748.db2.gz LZBPDMFGBUJJLC-JLYLLQBASA-N 2 1 349.563 3.409 20 0 EGADMP C[NH+](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C)C1CCC1 ZINC001731464408 1427441749 /nfs/dbraw/zinc/44/17/49/1427441749.db2.gz LZBPDMFGBUJJLC-JLYLLQBASA-N 2 1 349.563 3.409 20 0 EGADMP C[NH+](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)(C)C)C1CCC1 ZINC001731464408 1427441753 /nfs/dbraw/zinc/44/17/53/1427441753.db2.gz LZBPDMFGBUJJLC-JLYLLQBASA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001731558747 1427589889 /nfs/dbraw/zinc/58/98/89/1427589889.db2.gz LSCCRCGBJQJUQP-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001731720676 1427789063 /nfs/dbraw/zinc/78/90/63/1427789063.db2.gz OPEXWJBEQSXYEJ-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001731720676 1427789069 /nfs/dbraw/zinc/78/90/69/1427789069.db2.gz OPEXWJBEQSXYEJ-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001731720676 1427789074 /nfs/dbraw/zinc/78/90/74/1427789074.db2.gz OPEXWJBEQSXYEJ-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)(C)CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001733710465 1429926279 /nfs/dbraw/zinc/92/62/79/1429926279.db2.gz JUJKTCBSOHGNLM-BRWVUGGUSA-N 2 1 346.519 3.310 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001733769843 1429998723 /nfs/dbraw/zinc/99/87/23/1429998723.db2.gz QHXUDLNJWPQPIN-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001733769843 1429998725 /nfs/dbraw/zinc/99/87/25/1429998725.db2.gz QHXUDLNJWPQPIN-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001733769843 1429998729 /nfs/dbraw/zinc/99/87/29/1429998729.db2.gz QHXUDLNJWPQPIN-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP C[C@@H](c1ccccc1F)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001733773236 1430009761 /nfs/dbraw/zinc/00/97/61/1430009761.db2.gz ZSAAQLRTOPUSBB-LZLYRXPVSA-N 2 1 349.494 3.007 20 0 EGADMP C[C@@H](c1ccccc1F)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001733773236 1430009762 /nfs/dbraw/zinc/00/97/62/1430009762.db2.gz ZSAAQLRTOPUSBB-LZLYRXPVSA-N 2 1 349.494 3.007 20 0 EGADMP C[C@@H](c1ccccc1F)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001733773236 1430009776 /nfs/dbraw/zinc/00/97/76/1430009776.db2.gz ZSAAQLRTOPUSBB-LZLYRXPVSA-N 2 1 349.494 3.007 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001733783038 1430050789 /nfs/dbraw/zinc/05/07/89/1430050789.db2.gz VJOFEEHTCCQFHN-OALUTQOASA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001733783038 1430050797 /nfs/dbraw/zinc/05/07/97/1430050797.db2.gz VJOFEEHTCCQFHN-OALUTQOASA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001733783038 1430050805 /nfs/dbraw/zinc/05/08/05/1430050805.db2.gz VJOFEEHTCCQFHN-OALUTQOASA-N 2 1 337.552 3.079 20 0 EGADMP CC[N@H+](Cc1ccccc1)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001733919792 1437733428 /nfs/dbraw/zinc/73/34/28/1437733428.db2.gz LBJHTDFYMZQYRD-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001734055707 1437846483 /nfs/dbraw/zinc/84/64/83/1437846483.db2.gz BNQSHYPAZVXAQL-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001734055707 1437846485 /nfs/dbraw/zinc/84/64/85/1437846485.db2.gz BNQSHYPAZVXAQL-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001734055707 1437846487 /nfs/dbraw/zinc/84/64/87/1437846487.db2.gz BNQSHYPAZVXAQL-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CCC(CC)C[N@@H+](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001734273114 1438004842 /nfs/dbraw/zinc/00/48/42/1438004842.db2.gz BYYBTEPVJISYQP-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP C[C@@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@H+]1CCC1CCCC1 ZINC001734462643 1438119123 /nfs/dbraw/zinc/11/91/23/1438119123.db2.gz UNIPWQOKOUONQT-VQIMIIECSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCC[NH+]1CCC1CCCC1 ZINC001734462643 1438119125 /nfs/dbraw/zinc/11/91/25/1438119125.db2.gz UNIPWQOKOUONQT-VQIMIIECSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCC[NH+]1CCC1CCCC1 ZINC001734462643 1438119127 /nfs/dbraw/zinc/11/91/27/1438119127.db2.gz UNIPWQOKOUONQT-VQIMIIECSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](CCCNC(=O)C1([NH+](C)C)CCC1)Cc1ccc(C)cc1C ZINC001752189800 1440152428 /nfs/dbraw/zinc/15/24/28/1440152428.db2.gz MQWNMGLCWMQQLF-UHFFFAOYSA-N 2 1 345.531 3.116 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001752771922 1440206218 /nfs/dbraw/zinc/20/62/18/1440206218.db2.gz HDKRUHDXSCHJRT-KDURUIRLSA-N 2 1 345.531 3.063 20 0 EGADMP CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001752790357 1440213477 /nfs/dbraw/zinc/21/34/77/1440213477.db2.gz XMQJTOHINKGFOE-ICSRJNTNSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001752790357 1440213478 /nfs/dbraw/zinc/21/34/78/1440213478.db2.gz XMQJTOHINKGFOE-ICSRJNTNSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001752836790 1440228235 /nfs/dbraw/zinc/22/82/35/1440228235.db2.gz PVDHZKDYKQIPKY-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001752840426 1440230218 /nfs/dbraw/zinc/23/02/18/1440230218.db2.gz JWWHMPLHSPOUPN-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001752840426 1440230219 /nfs/dbraw/zinc/23/02/19/1440230219.db2.gz JWWHMPLHSPOUPN-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001752840426 1440230220 /nfs/dbraw/zinc/23/02/20/1440230220.db2.gz JWWHMPLHSPOUPN-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NC1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001752850314 1440233449 /nfs/dbraw/zinc/23/34/49/1440233449.db2.gz BWQGHPOGVHJJHV-ABHNRTSZSA-N 2 1 337.552 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]CCC2CCCCC2)C1 ZINC001752894553 1440241564 /nfs/dbraw/zinc/24/15/64/1440241564.db2.gz JLGIWIWDZFQEIL-IEBWSBKVSA-N 2 1 337.552 3.173 20 0 EGADMP CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001752949483 1440251987 /nfs/dbraw/zinc/25/19/87/1440251987.db2.gz LXHZBLLKMVVMLY-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](C[NH2+]CCC3CCCCCC3)C2)C1 ZINC001752951485 1440252248 /nfs/dbraw/zinc/25/22/48/1440252248.db2.gz HEHMLWUOKAIIIA-UYAOXDASSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001752979528 1440256806 /nfs/dbraw/zinc/25/68/06/1440256806.db2.gz BUQYROGHUNNQTD-ZWKOTPCHSA-N 2 1 337.552 3.172 20 0 EGADMP CC/C=C/CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001752991986 1440259570 /nfs/dbraw/zinc/25/95/70/1440259570.db2.gz BXLJTNUDULHTHB-KAGICYHLSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001752991986 1440259571 /nfs/dbraw/zinc/25/95/71/1440259571.db2.gz BXLJTNUDULHTHB-KAGICYHLSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001752991986 1440259572 /nfs/dbraw/zinc/25/95/72/1440259572.db2.gz BXLJTNUDULHTHB-KAGICYHLSA-N 2 1 335.536 3.140 20 0 EGADMP C[NH+](Cc1ccccc1)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001752997815 1440262998 /nfs/dbraw/zinc/26/29/98/1440262998.db2.gz XYTLRCQJRSYFDV-LJQANCHMSA-N 2 1 345.531 3.087 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1)CC(C)(C)C ZINC001752997815 1440262999 /nfs/dbraw/zinc/26/29/99/1440262999.db2.gz XYTLRCQJRSYFDV-LJQANCHMSA-N 2 1 345.531 3.087 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)C1)CC(C)(C)C ZINC001752997815 1440263000 /nfs/dbraw/zinc/26/30/00/1440263000.db2.gz XYTLRCQJRSYFDV-LJQANCHMSA-N 2 1 345.531 3.087 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001753039739 1440275783 /nfs/dbraw/zinc/27/57/83/1440275783.db2.gz JAVSTQWJJCEZIR-LJQANCHMSA-N 2 1 331.504 3.133 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@H+](C)CC1CC2(CCC2)C1 ZINC001753049882 1440278919 /nfs/dbraw/zinc/27/89/19/1440278919.db2.gz QNUFGDHSIJQQGG-INIZCTEOSA-N 2 1 346.519 3.025 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@@H+](C)CC1CC2(CCC2)C1 ZINC001753049882 1440278920 /nfs/dbraw/zinc/27/89/20/1440278920.db2.gz QNUFGDHSIJQQGG-INIZCTEOSA-N 2 1 346.519 3.025 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1F)[NH+](CC)CC ZINC001753112246 1440308993 /nfs/dbraw/zinc/30/89/93/1440308993.db2.gz YPKQKEFITOWMKS-PKOBYXMFSA-N 2 1 349.494 3.027 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1F)[NH+](CC)CC ZINC001753112246 1440308994 /nfs/dbraw/zinc/30/89/94/1440308994.db2.gz YPKQKEFITOWMKS-PKOBYXMFSA-N 2 1 349.494 3.027 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@H]2CNC(=O)CCC[NH+]2CCCC2)cs1 ZINC001753120721 1440313511 /nfs/dbraw/zinc/31/35/11/1440313511.db2.gz YPIVWVAOLJPMDU-SFHVURJKSA-N 2 1 349.544 3.013 20 0 EGADMP CCC[N@@H+](CCNC(=O)Cn1cncc1C)[C@@H](C)c1ccccc1C ZINC001753146297 1440324701 /nfs/dbraw/zinc/32/47/01/1440324701.db2.gz PPOQPSBMTCZDLB-SFHVURJKSA-N 2 1 342.487 3.089 20 0 EGADMP CCC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@@H](C)c1ccccc1C ZINC001753146297 1440324702 /nfs/dbraw/zinc/32/47/02/1440324702.db2.gz PPOQPSBMTCZDLB-SFHVURJKSA-N 2 1 342.487 3.089 20 0 EGADMP CCC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@@H](C)c1ccccc1C ZINC001753146297 1440324703 /nfs/dbraw/zinc/32/47/03/1440324703.db2.gz PPOQPSBMTCZDLB-SFHVURJKSA-N 2 1 342.487 3.089 20 0 EGADMP CC(C)(C)CC[N@@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001753160816 1440333805 /nfs/dbraw/zinc/33/38/05/1440333805.db2.gz BWKZEOONNJXJPV-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CC1 ZINC001753160816 1440333806 /nfs/dbraw/zinc/33/38/06/1440333806.db2.gz BWKZEOONNJXJPV-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CC1 ZINC001753160816 1440333807 /nfs/dbraw/zinc/33/38/07/1440333807.db2.gz BWKZEOONNJXJPV-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cc(C[N@@H+](CCNC(=O)CC[NH+]2CCCCC2)C2CC2)cs1 ZINC001753165602 1440335863 /nfs/dbraw/zinc/33/58/63/1440335863.db2.gz ZNHQSYPDMVCZJC-UHFFFAOYSA-N 2 1 349.544 3.013 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001753328777 1440368144 /nfs/dbraw/zinc/36/81/44/1440368144.db2.gz ZWQOZUHOADSJEF-PKOBYXMFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001753328777 1440368145 /nfs/dbraw/zinc/36/81/45/1440368145.db2.gz ZWQOZUHOADSJEF-PKOBYXMFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001753328777 1440368146 /nfs/dbraw/zinc/36/81/46/1440368146.db2.gz ZWQOZUHOADSJEF-PKOBYXMFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1)[NH+](C)C ZINC001753333972 1440371096 /nfs/dbraw/zinc/37/10/96/1440371096.db2.gz GORXFDSKTCALBJ-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001753335130 1440371863 /nfs/dbraw/zinc/37/18/63/1440371863.db2.gz JLZRGQCQLZXGGV-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001753335130 1440371864 /nfs/dbraw/zinc/37/18/64/1440371864.db2.gz JLZRGQCQLZXGGV-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001753335130 1440371865 /nfs/dbraw/zinc/37/18/65/1440371865.db2.gz JLZRGQCQLZXGGV-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001753350246 1440377478 /nfs/dbraw/zinc/37/74/78/1440377478.db2.gz FRQKUCUMSPAQIZ-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001753350246 1440377479 /nfs/dbraw/zinc/37/74/79/1440377479.db2.gz FRQKUCUMSPAQIZ-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001753350246 1440377480 /nfs/dbraw/zinc/37/74/80/1440377480.db2.gz FRQKUCUMSPAQIZ-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001753350245 1440377508 /nfs/dbraw/zinc/37/75/08/1440377508.db2.gz FRQKUCUMSPAQIZ-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001753350245 1440377509 /nfs/dbraw/zinc/37/75/09/1440377509.db2.gz FRQKUCUMSPAQIZ-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001753350245 1440377510 /nfs/dbraw/zinc/37/75/10/1440377510.db2.gz FRQKUCUMSPAQIZ-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)CCC3=CCCCC3)C2)CCC1 ZINC001753350905 1440377939 /nfs/dbraw/zinc/37/79/39/1440377939.db2.gz AMGBSWRNTNECJF-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CN(C(=O)C1([NH+](C)C)CCC1)[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001753439661 1440401202 /nfs/dbraw/zinc/40/12/02/1440401202.db2.gz PZFWWUQIHQRTQU-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@](C)(C[NH2+]CCC1=CCCCC1)C1CC1 ZINC001753523649 1440429040 /nfs/dbraw/zinc/42/90/40/1440429040.db2.gz OEADJEJLNUHGNR-PZJWPPBQSA-N 2 1 347.547 3.236 20 0 EGADMP CCC(CC)C[NH2+]C[C@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@H]1C ZINC001753532780 1440431579 /nfs/dbraw/zinc/43/15/79/1440431579.db2.gz FIYSZABKDPKXJO-OXQOHEQNSA-N 2 1 348.535 3.282 20 0 EGADMP CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001753557142 1440436243 /nfs/dbraw/zinc/43/62/43/1440436243.db2.gz GQQVUTBANHOBNA-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1)C1CCCCC1 ZINC001753584003 1440440836 /nfs/dbraw/zinc/44/08/36/1440440836.db2.gz WCAJXOFGDVCNSR-QAQDUYKDSA-N 2 1 341.515 3.018 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001753587107 1440441656 /nfs/dbraw/zinc/44/16/56/1440441656.db2.gz NJFGWMRFZABEFB-FHWLQOOXSA-N 2 1 345.531 3.415 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CCC(C)(C)C)CC1 ZINC001753587196 1440441719 /nfs/dbraw/zinc/44/17/19/1440441719.db2.gz QITQOUVJLRTGQA-QAQDUYKDSA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1=CCCCC1 ZINC001753702136 1440468765 /nfs/dbraw/zinc/46/87/65/1440468765.db2.gz UUJIMLZKROUDGO-UYAOXDASSA-N 2 1 349.563 3.434 20 0 EGADMP CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C1CCCCC1 ZINC001753749616 1440482160 /nfs/dbraw/zinc/48/21/60/1440482160.db2.gz MWRJIOAXCLEMCM-RBUKOAKNSA-N 2 1 337.552 3.316 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccc1C ZINC001753787298 1440488302 /nfs/dbraw/zinc/48/83/02/1440488302.db2.gz DDMOAACYBNCTMA-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+](C)CC=C(C)C)CC1 ZINC001753820326 1440495580 /nfs/dbraw/zinc/49/55/80/1440495580.db2.gz TXKLOPHAGMRQQJ-HXUWFJFHSA-N 2 1 349.563 3.388 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC(CC[N@H+](C)CC=C(C)C)CC1 ZINC001753820326 1440495581 /nfs/dbraw/zinc/49/55/81/1440495581.db2.gz TXKLOPHAGMRQQJ-HXUWFJFHSA-N 2 1 349.563 3.388 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC(CC[N@@H+](C)CC=C(C)C)CC1 ZINC001753820326 1440495582 /nfs/dbraw/zinc/49/55/82/1440495582.db2.gz TXKLOPHAGMRQQJ-HXUWFJFHSA-N 2 1 349.563 3.388 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(CC[N@H+](C)CC)CC2)o1 ZINC001753824066 1440497657 /nfs/dbraw/zinc/49/76/57/1440497657.db2.gz UEYKOGBJBCBQQY-UHFFFAOYSA-N 2 1 349.519 3.315 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1ccccc1Cl)C(=O)Cn1cc[nH+]c1C ZINC001754081734 1440539517 /nfs/dbraw/zinc/53/95/17/1440539517.db2.gz KIIONHTVYGMFBO-AWEZNQCLSA-N 2 1 348.878 3.044 20 0 EGADMP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001754273656 1440561985 /nfs/dbraw/zinc/56/19/85/1440561985.db2.gz AUNYFBKXSZFTAU-ICSRJNTNSA-N 2 1 345.531 3.018 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C)c1 ZINC001754337686 1440587346 /nfs/dbraw/zinc/58/73/46/1440587346.db2.gz YKCFPDJIVVJMBP-QZTJIDSGSA-N 2 1 333.520 3.141 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001754337686 1440587347 /nfs/dbraw/zinc/58/73/47/1440587347.db2.gz YKCFPDJIVVJMBP-QZTJIDSGSA-N 2 1 333.520 3.141 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001754337686 1440587348 /nfs/dbraw/zinc/58/73/48/1440587348.db2.gz YKCFPDJIVVJMBP-QZTJIDSGSA-N 2 1 333.520 3.141 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001754371037 1440592615 /nfs/dbraw/zinc/59/26/15/1440592615.db2.gz VOKRNMKPKIBDNC-ICSRJNTNSA-N 2 1 345.531 3.367 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001754535792 1440624208 /nfs/dbraw/zinc/62/42/08/1440624208.db2.gz NGZBLFPHGFCAAH-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001754535792 1440624209 /nfs/dbraw/zinc/62/42/09/1440624209.db2.gz NGZBLFPHGFCAAH-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001754535792 1440624210 /nfs/dbraw/zinc/62/42/10/1440624210.db2.gz NGZBLFPHGFCAAH-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001754546938 1440628068 /nfs/dbraw/zinc/62/80/68/1440628068.db2.gz ZHSFYWUZZJIBIV-MOPGFXCFSA-N 2 1 335.536 3.118 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001754617662 1440644694 /nfs/dbraw/zinc/64/46/94/1440644694.db2.gz RWAJBALCXOSBLI-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001754622087 1440645446 /nfs/dbraw/zinc/64/54/46/1440645446.db2.gz DYDNLXKPJKNMQF-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]CCC(C)(C)C)C2CCCC2)C1 ZINC001754655207 1440653250 /nfs/dbraw/zinc/65/32/50/1440653250.db2.gz ZMHJSPKYFDHOSF-SJLPKXTDSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@]1(C)CC[N@H+](CC2=CCCCC2)C1 ZINC001754681088 1440662432 /nfs/dbraw/zinc/66/24/32/1440662432.db2.gz ZZFOANXCZUHTHK-HXUWFJFHSA-N 2 1 344.503 3.088 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@]1(C)CC[N@@H+](CC2=CCCCC2)C1 ZINC001754681088 1440662433 /nfs/dbraw/zinc/66/24/33/1440662433.db2.gz ZZFOANXCZUHTHK-HXUWFJFHSA-N 2 1 344.503 3.088 20 0 EGADMP CCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001754700443 1440667853 /nfs/dbraw/zinc/66/78/53/1440667853.db2.gz YJXDPORREUFZRP-QUCCMNQESA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CC=C(C)C)C1)[NH+](CC)CC ZINC001754730247 1440678611 /nfs/dbraw/zinc/67/86/11/1440678611.db2.gz DKSPZBWYVLKRIM-AZUAARDMSA-N 2 1 337.552 3.291 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCC[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001754732114 1440680178 /nfs/dbraw/zinc/68/01/78/1440680178.db2.gz NRWKCESSOLQBMF-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP CCCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001754802396 1440690675 /nfs/dbraw/zinc/69/06/75/1440690675.db2.gz BDKBKWDOWMTNQI-IRXDYDNUSA-N 2 1 334.508 3.023 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001754919720 1440709247 /nfs/dbraw/zinc/70/92/47/1440709247.db2.gz VZISHMNREJWGKC-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC(C)CC2)CCC1 ZINC001754982742 1440721658 /nfs/dbraw/zinc/72/16/58/1440721658.db2.gz GVLNCWSTLBICAV-ACBHZAAOSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1 ZINC001754983250 1440721833 /nfs/dbraw/zinc/72/18/33/1440721833.db2.gz QEUALXPTDBKRJA-IBGZPJMESA-N 2 1 347.547 3.380 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1 ZINC001754983251 1440721850 /nfs/dbraw/zinc/72/18/50/1440721850.db2.gz QEUALXPTDBKRJA-LJQANCHMSA-N 2 1 347.547 3.380 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCC[NH+](CC2CC2)CC1 ZINC001755026681 1440729079 /nfs/dbraw/zinc/72/90/79/1440729079.db2.gz UYSSGUJSPYRBGH-QGZVFWFLSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC2CC2)CC1 ZINC001755026681 1440729080 /nfs/dbraw/zinc/72/90/80/1440729080.db2.gz UYSSGUJSPYRBGH-QGZVFWFLSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC2CC2)CC1 ZINC001755026681 1440729081 /nfs/dbraw/zinc/72/90/81/1440729081.db2.gz UYSSGUJSPYRBGH-QGZVFWFLSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCC(C)(C)C)CC2)CC1 ZINC001755028919 1440730267 /nfs/dbraw/zinc/73/02/67/1440730267.db2.gz QVMDXMGVAZCLCB-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001755034915 1440733671 /nfs/dbraw/zinc/73/36/71/1440733671.db2.gz BRHMFFHSEXNYSG-OALUTQOASA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001755034915 1440733672 /nfs/dbraw/zinc/73/36/72/1440733672.db2.gz BRHMFFHSEXNYSG-OALUTQOASA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001755034915 1440733673 /nfs/dbraw/zinc/73/36/73/1440733673.db2.gz BRHMFFHSEXNYSG-OALUTQOASA-N 2 1 349.494 3.151 20 0 EGADMP CCC(CC)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001755039231 1440736196 /nfs/dbraw/zinc/73/61/96/1440736196.db2.gz MAMIGVLOAQTJGU-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001755039231 1440736197 /nfs/dbraw/zinc/73/61/97/1440736197.db2.gz MAMIGVLOAQTJGU-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001755039231 1440736198 /nfs/dbraw/zinc/73/61/98/1440736198.db2.gz MAMIGVLOAQTJGU-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CCC[NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001755043410 1440738780 /nfs/dbraw/zinc/73/87/80/1440738780.db2.gz VQNMAQLABHNJKI-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)CCC[N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001755043410 1440738781 /nfs/dbraw/zinc/73/87/81/1440738781.db2.gz VQNMAQLABHNJKI-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)CCC[N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001755043410 1440738782 /nfs/dbraw/zinc/73/87/82/1440738782.db2.gz VQNMAQLABHNJKI-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001755043620 1440739042 /nfs/dbraw/zinc/73/90/42/1440739042.db2.gz AKNOZBOHBUCCBZ-IAGOWNOFSA-N 2 1 349.494 3.009 20 0 EGADMP C[C@H](c1cccc(F)c1)[NH+](C)CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001755043620 1440739043 /nfs/dbraw/zinc/73/90/43/1440739043.db2.gz AKNOZBOHBUCCBZ-IAGOWNOFSA-N 2 1 349.494 3.009 20 0 EGADMP C[C@H](c1cccc(F)c1)[NH+](C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001755043620 1440739044 /nfs/dbraw/zinc/73/90/44/1440739044.db2.gz AKNOZBOHBUCCBZ-IAGOWNOFSA-N 2 1 349.494 3.009 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001755045557 1440740580 /nfs/dbraw/zinc/74/05/80/1440740580.db2.gz ZQSDOOJNVDUXHD-MJGOQNOKSA-N 2 1 349.494 3.009 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001755045557 1440740581 /nfs/dbraw/zinc/74/05/81/1440740581.db2.gz ZQSDOOJNVDUXHD-MJGOQNOKSA-N 2 1 349.494 3.009 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001755045557 1440740582 /nfs/dbraw/zinc/74/05/82/1440740582.db2.gz ZQSDOOJNVDUXHD-MJGOQNOKSA-N 2 1 349.494 3.009 20 0 EGADMP CCC1([NH2+]CCC(C)C)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001755071799 1440746927 /nfs/dbraw/zinc/74/69/27/1440746927.db2.gz GZXSCODNNXNUII-OALUTQOASA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001755075337 1440748477 /nfs/dbraw/zinc/74/84/77/1440748477.db2.gz DTMHMQPTXUSTHS-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP CCCCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001755075337 1440748478 /nfs/dbraw/zinc/74/84/78/1440748478.db2.gz DTMHMQPTXUSTHS-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP CCCCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001755075337 1440748479 /nfs/dbraw/zinc/74/84/79/1440748479.db2.gz DTMHMQPTXUSTHS-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@]2(CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001755079410 1440750425 /nfs/dbraw/zinc/75/04/25/1440750425.db2.gz JKKATWOHCMVUDM-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001755079410 1440750426 /nfs/dbraw/zinc/75/04/26/1440750426.db2.gz JKKATWOHCMVUDM-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001755079410 1440750427 /nfs/dbraw/zinc/75/04/27/1440750427.db2.gz JKKATWOHCMVUDM-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CC1CC(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)CCCC[NH+](C)C)C3)C1 ZINC001755079762 1440750648 /nfs/dbraw/zinc/75/06/48/1440750648.db2.gz QGIIUXGXXKHVNX-GZNCHQMQSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001755135769 1440758149 /nfs/dbraw/zinc/75/81/49/1440758149.db2.gz COCCLZFMBBWZOM-GOSISDBHSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001755135770 1440758215 /nfs/dbraw/zinc/75/82/15/1440758215.db2.gz COCCLZFMBBWZOM-SFHVURJKSA-N 2 1 337.552 3.412 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)[C@H](C)C1 ZINC001755165143 1440766560 /nfs/dbraw/zinc/76/65/60/1440766560.db2.gz GCWNFDPLERAQQN-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)[C@H](C)C1 ZINC001755165143 1440766561 /nfs/dbraw/zinc/76/65/61/1440766561.db2.gz GCWNFDPLERAQQN-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)[C@H](C)C1 ZINC001755165143 1440766562 /nfs/dbraw/zinc/76/65/62/1440766562.db2.gz GCWNFDPLERAQQN-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001755300683 1440808503 /nfs/dbraw/zinc/80/85/03/1440808503.db2.gz VWLMPHMDRBWOBZ-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755300683 1440808504 /nfs/dbraw/zinc/80/85/04/1440808504.db2.gz VWLMPHMDRBWOBZ-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755300683 1440808505 /nfs/dbraw/zinc/80/85/05/1440808505.db2.gz VWLMPHMDRBWOBZ-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH+](C)CC1CCCCC1 ZINC001755301381 1440808656 /nfs/dbraw/zinc/80/86/56/1440808656.db2.gz KTSVMOQXQCIWAQ-FXAWDEMLSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@H+](C)CC1CCCCC1 ZINC001755301381 1440808657 /nfs/dbraw/zinc/80/86/57/1440808657.db2.gz KTSVMOQXQCIWAQ-FXAWDEMLSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@@H+](C)CC1CCCCC1 ZINC001755301381 1440808658 /nfs/dbraw/zinc/80/86/58/1440808658.db2.gz KTSVMOQXQCIWAQ-FXAWDEMLSA-N 2 1 349.563 3.410 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCCCC[N@H+]1CC1CCC1 ZINC001755368987 1440836635 /nfs/dbraw/zinc/83/66/35/1440836635.db2.gz YWUNMGRNTWSETK-IBGZPJMESA-N 2 1 335.536 3.023 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001755390479 1440841861 /nfs/dbraw/zinc/84/18/61/1440841861.db2.gz SCJWMWKECXPYTN-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC001755411161 1440846244 /nfs/dbraw/zinc/84/62/44/1440846244.db2.gz HXYZDFLYWNGQQU-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC001755411161 1440846245 /nfs/dbraw/zinc/84/62/45/1440846245.db2.gz HXYZDFLYWNGQQU-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[NH+]([C@@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755415451 1440848370 /nfs/dbraw/zinc/84/83/70/1440848370.db2.gz INVKRWYQNWZJOL-YJBOKZPZSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[N@@H+]([C@@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755415451 1440848371 /nfs/dbraw/zinc/84/83/71/1440848371.db2.gz INVKRWYQNWZJOL-YJBOKZPZSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[N@H+]([C@@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755415451 1440848372 /nfs/dbraw/zinc/84/83/72/1440848372.db2.gz INVKRWYQNWZJOL-YJBOKZPZSA-N 2 1 349.494 3.054 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](CCCC(C)(C)C)C2 ZINC001755457721 1440856409 /nfs/dbraw/zinc/85/64/09/1440856409.db2.gz UADUQVOXNBOVHS-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+](CCCC(C)(C)C)C2 ZINC001755457721 1440856410 /nfs/dbraw/zinc/85/64/10/1440856410.db2.gz UADUQVOXNBOVHS-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC2(C1)CCC[N@@H+](CCCC(C)(C)C)C2 ZINC001755457721 1440856411 /nfs/dbraw/zinc/85/64/11/1440856411.db2.gz UADUQVOXNBOVHS-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]([NH2+][C@H](C)c1ccccc1)C(C)C ZINC001755549799 1440871783 /nfs/dbraw/zinc/87/17/83/1440871783.db2.gz DPTDYGNEOIWVRR-IEBWSBKVSA-N 2 1 342.487 3.073 20 0 EGADMP CC(C)[C@@H](CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)[NH2+]C/C=C\Cl ZINC001755551277 1440872068 /nfs/dbraw/zinc/87/20/68/1440872068.db2.gz UTFWMRHYKXTILD-GJWDQICYSA-N 2 1 343.943 3.122 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001755701549 1440900549 /nfs/dbraw/zinc/90/05/49/1440900549.db2.gz QBHPZJGVRRJSFD-FBBABVLZSA-N 2 1 343.515 3.121 20 0 EGADMP CC1CC(C[N@H+]2CC[C@]3(NC(=O)CCC[NH+]4CCCC4)CCC[C@H]23)C1 ZINC001755704792 1440902071 /nfs/dbraw/zinc/90/20/71/1440902071.db2.gz QHDGPKFQVQETBU-KWOGNLBTSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)[C@@H]1C ZINC001755721157 1440907414 /nfs/dbraw/zinc/90/74/14/1440907414.db2.gz MLUMRCKBZVGJCY-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)[C@@H]1C ZINC001755721157 1440907415 /nfs/dbraw/zinc/90/74/15/1440907415.db2.gz MLUMRCKBZVGJCY-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)[C@@H]1C ZINC001755721157 1440907416 /nfs/dbraw/zinc/90/74/16/1440907416.db2.gz MLUMRCKBZVGJCY-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)c2ccccc2C)C(C)(C)C1 ZINC001755765104 1440915990 /nfs/dbraw/zinc/91/59/90/1440915990.db2.gz INZXNLUBLJQWCM-PKOBYXMFSA-N 2 1 345.531 3.224 20 0 EGADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1(C)C ZINC001755774536 1440917111 /nfs/dbraw/zinc/91/71/11/1440917111.db2.gz MWYHOHQJNKCAKE-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCOC1CC(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000368089338 168309848 /nfs/dbraw/zinc/30/98/48/168309848.db2.gz LEIAPHLYMFBSPJ-OMYXNUHHSA-N 2 1 328.500 3.255 20 0 EGADMP CCOC1CC(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000368089338 168309851 /nfs/dbraw/zinc/30/98/51/168309851.db2.gz LEIAPHLYMFBSPJ-OMYXNUHHSA-N 2 1 328.500 3.255 20 0 EGADMP CCOC1CC(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000368089338 168309852 /nfs/dbraw/zinc/30/98/52/168309852.db2.gz LEIAPHLYMFBSPJ-OMYXNUHHSA-N 2 1 328.500 3.255 20 0 EGADMP CC1(C)OCc2cc(CNCc3cnc4n3CCCC4)ccc2O1 ZINC000368487725 168362834 /nfs/dbraw/zinc/36/28/34/168362834.db2.gz LCLPNEMOCGLBRN-UHFFFAOYSA-N 2 1 327.428 3.154 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597355 282241388 /nfs/dbraw/zinc/24/13/88/282241388.db2.gz UTIQALBFMPGPLU-IBGZPJMESA-N 2 1 338.499 3.407 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597355 282241393 /nfs/dbraw/zinc/24/13/93/282241393.db2.gz UTIQALBFMPGPLU-IBGZPJMESA-N 2 1 338.499 3.407 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000264420086 283188274 /nfs/dbraw/zinc/18/82/74/283188274.db2.gz IMYXFTRJFGHUBS-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP C[C@H]([NH2+]C1CCC2(CC1)OCCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274962952 201274367 /nfs/dbraw/zinc/27/43/67/201274367.db2.gz WXYZTDJYPILEMQ-PKOBYXMFSA-N 2 1 344.499 3.172 20 0 EGADMP C[NH+]1CCC([NH2+]CCc2ccc(Br)cc2Cl)CC1 ZINC000568075726 316721012 /nfs/dbraw/zinc/72/10/12/316721012.db2.gz ZVTOQXMANYWESB-UHFFFAOYSA-N 2 1 331.685 3.329 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)cc1)C(C)C ZINC000108781708 204271249 /nfs/dbraw/zinc/27/12/49/204271249.db2.gz FQPQIXZUZCIEHA-SFHVURJKSA-N 2 1 343.515 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1)C(C)C ZINC000108781708 204271252 /nfs/dbraw/zinc/27/12/52/204271252.db2.gz FQPQIXZUZCIEHA-SFHVURJKSA-N 2 1 343.515 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1)C(C)C ZINC000108781708 204271256 /nfs/dbraw/zinc/27/12/56/204271256.db2.gz FQPQIXZUZCIEHA-SFHVURJKSA-N 2 1 343.515 3.131 20 0 EGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000108873230 204272929 /nfs/dbraw/zinc/27/29/29/204272929.db2.gz JGYBCAWAEFBOGN-GOSISDBHSA-N 2 1 343.515 3.014 20 0 EGADMP COc1ccc2oc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cc2c1 ZINC000125689753 205021047 /nfs/dbraw/zinc/02/10/47/205021047.db2.gz NLMJGIQCJICVNC-OAHLLOKOSA-N 2 1 344.455 3.032 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000126774224 205070923 /nfs/dbraw/zinc/07/09/23/205070923.db2.gz XEPWYMHGZVBHDW-QAPCUYQASA-N 2 1 332.517 3.435 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000126774224 205070927 /nfs/dbraw/zinc/07/09/27/205070927.db2.gz XEPWYMHGZVBHDW-QAPCUYQASA-N 2 1 332.517 3.435 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000129151520 205181935 /nfs/dbraw/zinc/18/19/35/205181935.db2.gz MZOCSTPBGWMMPK-JRPNMDOOSA-N 2 1 329.257 3.407 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000129151520 205181939 /nfs/dbraw/zinc/18/19/39/205181939.db2.gz MZOCSTPBGWMMPK-JRPNMDOOSA-N 2 1 329.257 3.407 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000157625476 206147930 /nfs/dbraw/zinc/14/79/30/206147930.db2.gz HQWFJLQMKQYIQO-DBXWQHBBSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000157625476 206147934 /nfs/dbraw/zinc/14/79/34/206147934.db2.gz HQWFJLQMKQYIQO-DBXWQHBBSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000157625476 206147940 /nfs/dbraw/zinc/14/79/40/206147940.db2.gz HQWFJLQMKQYIQO-DBXWQHBBSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000157625476 206147944 /nfs/dbraw/zinc/14/79/44/206147944.db2.gz HQWFJLQMKQYIQO-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000157625476 206147949 /nfs/dbraw/zinc/14/79/49/206147949.db2.gz HQWFJLQMKQYIQO-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000157625476 206147955 /nfs/dbraw/zinc/14/79/55/206147955.db2.gz HQWFJLQMKQYIQO-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000157625476 206147958 /nfs/dbraw/zinc/14/79/58/206147958.db2.gz HQWFJLQMKQYIQO-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000157625476 206147962 /nfs/dbraw/zinc/14/79/62/206147962.db2.gz HQWFJLQMKQYIQO-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000157625476 206147965 /nfs/dbraw/zinc/14/79/65/206147965.db2.gz HQWFJLQMKQYIQO-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2)cc1 ZINC000158248592 206180119 /nfs/dbraw/zinc/18/01/19/206180119.db2.gz UTOXCPGULZNGSV-OXQOHEQNSA-N 2 1 335.451 3.435 20 0 EGADMP C[C@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCC[C@@H]1O ZINC000159193857 206231371 /nfs/dbraw/zinc/23/13/71/206231371.db2.gz UMCWVXGVVYVOKY-LEWJYISDSA-N 2 1 348.506 3.363 20 0 EGADMP Cc1ccccc1C[NH+]1CCC(N[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000162144545 206387252 /nfs/dbraw/zinc/38/72/52/206387252.db2.gz QAVGDYOZBSXUEW-WFXMLNOXSA-N 2 1 329.532 3.278 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000267156622 250784341 /nfs/dbraw/zinc/78/43/41/250784341.db2.gz OPCYLDIHORGMHR-FQEVSTJZSA-N 2 1 343.515 3.203 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000174350323 207015266 /nfs/dbraw/zinc/01/52/66/207015266.db2.gz BERBASCDWGTUKK-QGZVFWFLSA-N 2 1 326.488 3.082 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1cccs1 ZINC000177602569 207360553 /nfs/dbraw/zinc/36/05/53/207360553.db2.gz MBDKUPXHQMKDEB-DOTOQJQBSA-N 2 1 349.544 3.122 20 0 EGADMP COc1cccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000177604336 207363878 /nfs/dbraw/zinc/36/38/78/207363878.db2.gz WLECYZGSCBPEEN-HNNXBMFYSA-N 2 1 340.471 3.422 20 0 EGADMP COc1coc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1=O ZINC000268643255 252096179 /nfs/dbraw/zinc/09/61/79/252096179.db2.gz HXRJRHPIYOQNLO-MRXNPFEDSA-N 2 1 348.487 3.125 20 0 EGADMP COc1coc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1=O ZINC000268643255 252096182 /nfs/dbraw/zinc/09/61/82/252096182.db2.gz HXRJRHPIYOQNLO-MRXNPFEDSA-N 2 1 348.487 3.125 20 0 EGADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1Cn1cccn1 ZINC000268748787 252200935 /nfs/dbraw/zinc/20/09/35/252200935.db2.gz GRZCTUYFOLBTCF-KRWDZBQOSA-N 2 1 344.503 3.321 20 0 EGADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1Cn1cccn1 ZINC000268748787 252200938 /nfs/dbraw/zinc/20/09/38/252200938.db2.gz GRZCTUYFOLBTCF-KRWDZBQOSA-N 2 1 344.503 3.321 20 0 EGADMP CCC[N@H+]1CC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268804430 252256713 /nfs/dbraw/zinc/25/67/13/252256713.db2.gz CEHPOYVQQGNWPY-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268804430 252256717 /nfs/dbraw/zinc/25/67/17/252256717.db2.gz CEHPOYVQQGNWPY-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268804430 252256723 /nfs/dbraw/zinc/25/67/23/252256723.db2.gz CEHPOYVQQGNWPY-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000268804430 252256727 /nfs/dbraw/zinc/25/67/27/252256727.db2.gz CEHPOYVQQGNWPY-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000268804430 252256732 /nfs/dbraw/zinc/25/67/32/252256732.db2.gz CEHPOYVQQGNWPY-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268804430 252256734 /nfs/dbraw/zinc/25/67/34/252256734.db2.gz CEHPOYVQQGNWPY-NRSPTQNISA-N 3 1 329.532 3.361 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268804430 252256738 /nfs/dbraw/zinc/25/67/38/252256738.db2.gz CEHPOYVQQGNWPY-NRSPTQNISA-N 3 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268804430 252256741 /nfs/dbraw/zinc/25/67/41/252256741.db2.gz CEHPOYVQQGNWPY-NRSPTQNISA-N 3 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000268804430 252256745 /nfs/dbraw/zinc/25/67/45/252256745.db2.gz CEHPOYVQQGNWPY-NRSPTQNISA-N 3 1 329.532 3.361 20 0 EGADMP CCOCCOCc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000268818090 252269403 /nfs/dbraw/zinc/26/94/03/252269403.db2.gz NBNGTRAQZPNUNX-SQGPQFPESA-N 2 1 334.504 3.058 20 0 EGADMP CC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc2c(c1)CCO2 ZINC000268851935 252300803 /nfs/dbraw/zinc/30/08/03/252300803.db2.gz GFJHTHRVUGXHQV-IBGZPJMESA-N 2 1 344.499 3.307 20 0 EGADMP Brc1cccc(NCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000352970158 532968696 /nfs/dbraw/zinc/96/86/96/532968696.db2.gz UNBZYJYAYNZJFA-JKSUJKDBSA-N 2 1 338.293 3.077 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268870836 252319168 /nfs/dbraw/zinc/31/91/68/252319168.db2.gz HNYMHVPMZLGDSV-KRWDZBQOSA-N 3 1 344.503 3.263 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1)C(C)C ZINC000106363786 285097671 /nfs/dbraw/zinc/09/76/71/285097671.db2.gz QGZSFEQFZAKWKV-LJQANCHMSA-N 2 1 331.504 3.083 20 0 EGADMP CCn1c2cccc(F)c2nc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868249 221198819 /nfs/dbraw/zinc/19/88/19/221198819.db2.gz NBDATYKBJJVFKH-UHFFFAOYSA-N 2 1 332.467 3.359 20 0 EGADMP Fc1ccc(CC[NH+]2CCC(NC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000119677086 221375049 /nfs/dbraw/zinc/37/50/49/221375049.db2.gz DCQSKFKTWPOLES-UHFFFAOYSA-N 2 1 345.506 3.049 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cc[nH]c(=O)c1 ZINC000339459624 141115321 /nfs/dbraw/zinc/11/53/21/141115321.db2.gz BYYXSVHVVPNARC-HNNXBMFYSA-N 2 1 343.446 3.284 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000346284938 141191153 /nfs/dbraw/zinc/19/11/53/141191153.db2.gz ZLMKOAOWOGRNBT-UHFFFAOYSA-N 2 1 341.434 3.285 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000346284938 141191156 /nfs/dbraw/zinc/19/11/56/141191156.db2.gz ZLMKOAOWOGRNBT-UHFFFAOYSA-N 2 1 341.434 3.285 20 0 EGADMP C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347935596 141220416 /nfs/dbraw/zinc/22/04/16/141220416.db2.gz PXQVSKZWGQLODS-SJLPKXTDSA-N 2 1 344.499 3.243 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000352949653 141275786 /nfs/dbraw/zinc/27/57/86/141275786.db2.gz YGSOQRJYVGNFPU-HDICACEKSA-N 2 1 341.499 3.423 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000352949653 141275790 /nfs/dbraw/zinc/27/57/90/141275790.db2.gz YGSOQRJYVGNFPU-HDICACEKSA-N 2 1 341.499 3.423 20 0 EGADMP CCOC(=O)c1coc(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000354636341 141317939 /nfs/dbraw/zinc/31/79/39/141317939.db2.gz SGNYHBLJXSGWSD-LSDHHAIUSA-N 2 1 334.460 3.199 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1)C1CC1 ZINC000356263294 141331569 /nfs/dbraw/zinc/33/15/69/141331569.db2.gz ACNZFMKVMFGCAW-OXJNMPFZSA-N 2 1 343.515 3.226 20 0 EGADMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000178427068 144071622 /nfs/dbraw/zinc/07/16/22/144071622.db2.gz NBYVWOQILKSRKK-CQSZACIVSA-N 2 1 326.469 3.485 20 0 EGADMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000178427068 144071625 /nfs/dbraw/zinc/07/16/25/144071625.db2.gz NBYVWOQILKSRKK-CQSZACIVSA-N 2 1 326.469 3.485 20 0 EGADMP CC(C)OC(=O)CC[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000184754139 144098819 /nfs/dbraw/zinc/09/88/19/144098819.db2.gz QPLOJYLEWHKEQZ-XEWABKELSA-N 2 1 332.488 3.074 20 0 EGADMP CN(c1ccccc1C[NH2+]Cc1ccc(F)cn1)C1CC[NH+](C)CC1 ZINC000344904913 144240461 /nfs/dbraw/zinc/24/04/61/144240461.db2.gz MIDZAQHEGRQLTB-UHFFFAOYSA-N 2 1 342.462 3.041 20 0 EGADMP CN(C[C@H](O)C[N@@H+](CCc1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000351480233 144267245 /nfs/dbraw/zinc/26/72/45/144267245.db2.gz UWPNQMATTVDTLL-FQEVSTJZSA-N 2 1 334.479 3.068 20 0 EGADMP C[N@H+](C[C@H](O)C[NH+](CCc1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000351480233 144267246 /nfs/dbraw/zinc/26/72/46/144267246.db2.gz UWPNQMATTVDTLL-FQEVSTJZSA-N 2 1 334.479 3.068 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH+](CCc1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000351480233 144267247 /nfs/dbraw/zinc/26/72/47/144267247.db2.gz UWPNQMATTVDTLL-FQEVSTJZSA-N 2 1 334.479 3.068 20 0 EGADMP C[NH+](C[C@H](O)C[N@H+](CCc1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000351480233 144267248 /nfs/dbraw/zinc/26/72/48/144267248.db2.gz UWPNQMATTVDTLL-FQEVSTJZSA-N 2 1 334.479 3.068 20 0 EGADMP C[NH+](C[C@H](O)C[N@@H+](CCc1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000351480233 144267249 /nfs/dbraw/zinc/26/72/49/144267249.db2.gz UWPNQMATTVDTLL-FQEVSTJZSA-N 2 1 334.479 3.068 20 0 EGADMP C[C@H](CCNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000351495402 144269555 /nfs/dbraw/zinc/26/95/55/144269555.db2.gz TWPUCQDHHRTAFF-YRXWBPOGSA-N 2 1 345.531 3.275 20 0 EGADMP C[C@H](CCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000351495402 144269557 /nfs/dbraw/zinc/26/95/57/144269557.db2.gz TWPUCQDHHRTAFF-YRXWBPOGSA-N 2 1 345.531 3.275 20 0 EGADMP C[C@H](CCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000351495402 144269559 /nfs/dbraw/zinc/26/95/59/144269559.db2.gz TWPUCQDHHRTAFF-YRXWBPOGSA-N 2 1 345.531 3.275 20 0 EGADMP CC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000120621392 152288734 /nfs/dbraw/zinc/28/87/34/152288734.db2.gz WXYVHYOMBNRPES-UHFFFAOYSA-N 2 1 342.487 3.196 20 0 EGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000120621392 152288736 /nfs/dbraw/zinc/28/87/36/152288736.db2.gz WXYVHYOMBNRPES-UHFFFAOYSA-N 2 1 342.487 3.196 20 0 EGADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000194875638 153362049 /nfs/dbraw/zinc/36/20/49/153362049.db2.gz VYABDMWGRWWXCF-IBGZPJMESA-N 2 1 343.515 3.030 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000195135595 153383045 /nfs/dbraw/zinc/38/30/45/153383045.db2.gz KDENHHGLPDEEFY-MHTWAQMVSA-N 2 1 340.511 3.446 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C1(C)C ZINC000344178908 286384502 /nfs/dbraw/zinc/38/45/02/286384502.db2.gz WQVKDZDBMAWYNK-ZWKOTPCHSA-N 2 1 338.536 3.203 20 0 EGADMP [NH3+]CCCOC1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000321794989 154168520 /nfs/dbraw/zinc/16/85/20/154168520.db2.gz XBQKNQOQCIMQDL-UHFFFAOYSA-N 2 1 331.485 3.140 20 0 EGADMP Clc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc2c1OCCCO2 ZINC000322926994 154170275 /nfs/dbraw/zinc/17/02/75/154170275.db2.gz NKUXQEBETPYTPN-CABCVRRESA-N 2 1 336.863 3.218 20 0 EGADMP Clc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1OCCCO2 ZINC000322926994 154170278 /nfs/dbraw/zinc/17/02/78/154170278.db2.gz NKUXQEBETPYTPN-CABCVRRESA-N 2 1 336.863 3.218 20 0 EGADMP c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336810047 154213731 /nfs/dbraw/zinc/21/37/31/154213731.db2.gz GXAVZKWWPMQSSX-HXUWFJFHSA-N 2 1 346.478 3.484 20 0 EGADMP c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336810047 154213734 /nfs/dbraw/zinc/21/37/34/154213734.db2.gz GXAVZKWWPMQSSX-HXUWFJFHSA-N 2 1 346.478 3.484 20 0 EGADMP C[C@@H]1CC[C@@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000345313665 156051624 /nfs/dbraw/zinc/05/16/24/156051624.db2.gz RGYMUOJNQMDGQS-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000349002343 156312962 /nfs/dbraw/zinc/31/29/62/156312962.db2.gz PEEJSIRWHGZGDX-XWTMOSNGSA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000349002343 156312965 /nfs/dbraw/zinc/31/29/65/156312965.db2.gz PEEJSIRWHGZGDX-XWTMOSNGSA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000349002343 156312970 /nfs/dbraw/zinc/31/29/70/156312970.db2.gz PEEJSIRWHGZGDX-XWTMOSNGSA-N 2 1 337.552 3.265 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000349117073 156358967 /nfs/dbraw/zinc/35/89/67/156358967.db2.gz JJYFXEQOVBJBGL-LJQANCHMSA-N 2 1 331.504 3.019 20 0 EGADMP CN(c1ccccc1C[N@@H+](C)CC1CCOCC1)C1CC[NH+](C)CC1 ZINC000093314776 162002010 /nfs/dbraw/zinc/00/20/10/162002010.db2.gz YIIGYBLVDBCWFF-UHFFFAOYSA-N 2 1 345.531 3.075 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]CCC[N@H+]3C[C@H](C)C[C@H](C)C3)c(C)n2n1 ZINC000093398466 162008327 /nfs/dbraw/zinc/00/83/27/162008327.db2.gz HYYJWUJJMMMEMT-UXLLHSPISA-N 2 1 343.519 3.365 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]CCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c(C)n2n1 ZINC000093398466 162008332 /nfs/dbraw/zinc/00/83/32/162008332.db2.gz HYYJWUJJMMMEMT-UXLLHSPISA-N 2 1 343.519 3.365 20 0 EGADMP COCCOc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683451 162023101 /nfs/dbraw/zinc/02/31/01/162023101.db2.gz UQPDNZRGEVSFJT-LJQANCHMSA-N 2 1 332.488 3.020 20 0 EGADMP COCCOc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683451 162023106 /nfs/dbraw/zinc/02/31/06/162023106.db2.gz UQPDNZRGEVSFJT-LJQANCHMSA-N 2 1 332.488 3.020 20 0 EGADMP C[N@@H+](CCc1cccc(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)c1)C1CC1 ZINC000128676641 162330796 /nfs/dbraw/zinc/33/07/96/162330796.db2.gz WCDZKEBZPPTADK-HXUWFJFHSA-N 2 1 341.499 3.136 20 0 EGADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CC2 ZINC000248463329 163008178 /nfs/dbraw/zinc/00/81/78/163008178.db2.gz YXCRNNRIECZAAF-IRLDBZIGSA-N 2 1 336.479 3.339 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000337186881 163156654 /nfs/dbraw/zinc/15/66/54/163156654.db2.gz PQWURVJPHPXSPD-QRVBRYPASA-N 2 1 340.552 3.259 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000337186881 163156655 /nfs/dbraw/zinc/15/66/55/163156655.db2.gz PQWURVJPHPXSPD-QRVBRYPASA-N 2 1 340.552 3.259 20 0 EGADMP CC[N@H+](CCC1CC[NH+](Cc2ncnn2C(C)(C)C)CC1)CC1CC1 ZINC000338277620 163204575 /nfs/dbraw/zinc/20/45/75/163204575.db2.gz GJFUMNSSDPEMCK-UHFFFAOYSA-N 2 1 347.551 3.367 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2ncnn2C(C)(C)C)CC1)CC1CC1 ZINC000338277620 163204579 /nfs/dbraw/zinc/20/45/79/163204579.db2.gz GJFUMNSSDPEMCK-UHFFFAOYSA-N 2 1 347.551 3.367 20 0 EGADMP C[N@H+]1CCC[C@H]1CCN[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338327936 163211391 /nfs/dbraw/zinc/21/13/91/163211391.db2.gz PJEOKHDDNKWWDR-VQTJNVASSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+]1CCC[C@H]1CCN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338327936 163211394 /nfs/dbraw/zinc/21/13/94/163211394.db2.gz PJEOKHDDNKWWDR-VQTJNVASSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+]1CCC[C@H]1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338327936 163211396 /nfs/dbraw/zinc/21/13/96/163211396.db2.gz PJEOKHDDNKWWDR-VQTJNVASSA-N 3 1 329.532 3.361 20 0 EGADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000338327936 163211397 /nfs/dbraw/zinc/21/13/97/163211397.db2.gz PJEOKHDDNKWWDR-VQTJNVASSA-N 3 1 329.532 3.361 20 0 EGADMP CC[N@@H+](CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(C)C ZINC000338768224 163342611 /nfs/dbraw/zinc/34/26/11/163342611.db2.gz RUZJJAYFNDCZKX-UHFFFAOYSA-N 2 1 331.504 3.133 20 0 EGADMP CC(C)(C)[C@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000343685423 164011718 /nfs/dbraw/zinc/01/17/18/164011718.db2.gz HWCGVMVVWUCDNH-LJQANCHMSA-N 2 1 330.516 3.382 20 0 EGADMP CCC1(CC)[C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1OC ZINC000344073376 164096973 /nfs/dbraw/zinc/09/69/73/164096973.db2.gz VNXMEWSOHKPXFO-XDNAFOTISA-N 2 1 326.525 3.059 20 0 EGADMP CCO[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C12CCC2 ZINC000344087080 164100350 /nfs/dbraw/zinc/10/03/50/164100350.db2.gz MIBKDMMGNCLFQX-UXHICEINSA-N 2 1 328.500 3.372 20 0 EGADMP CCO[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C12CCC2 ZINC000344087080 164100352 /nfs/dbraw/zinc/10/03/52/164100352.db2.gz MIBKDMMGNCLFQX-UXHICEINSA-N 2 1 328.500 3.372 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344144760 164113982 /nfs/dbraw/zinc/11/39/82/164113982.db2.gz VYJWVZYWPIUMIG-FQEVSTJZSA-N 2 1 333.495 3.210 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)sc2C1 ZINC000344198793 164124152 /nfs/dbraw/zinc/12/41/52/164124152.db2.gz CKEJRWPVWJSFTJ-XWIAVFTESA-N 2 1 349.544 3.203 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)sc2C1 ZINC000344198793 164124153 /nfs/dbraw/zinc/12/41/53/164124153.db2.gz CKEJRWPVWJSFTJ-XWIAVFTESA-N 2 1 349.544 3.203 20 0 EGADMP O[C@]1(CNCc2coc3ccccc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000344541643 164188873 /nfs/dbraw/zinc/18/88/73/164188873.db2.gz VXVQQCZXERYVPW-NRFANRHFSA-N 2 1 336.435 3.159 20 0 EGADMP O[C@]1(C[NH2+]Cc2coc3ccccc23)CCN(Cc2ccccc2)C1 ZINC000344541643 164188874 /nfs/dbraw/zinc/18/88/74/164188874.db2.gz VXVQQCZXERYVPW-NRFANRHFSA-N 2 1 336.435 3.159 20 0 EGADMP Cc1cccc(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)[nH+]1 ZINC000345666068 164237848 /nfs/dbraw/zinc/23/78/48/164237848.db2.gz UJQBYPYNFCDGLG-UHFFFAOYSA-N 2 1 329.419 3.484 20 0 EGADMP Cn1cnc2cc(C[N@@H+](C)CC3CCN(c4cc[nH+]cc4)CC3)ccc21 ZINC000350228006 165020876 /nfs/dbraw/zinc/02/08/76/165020876.db2.gz TZJVNNGGZKKTDN-UHFFFAOYSA-N 2 1 349.482 3.317 20 0 EGADMP C[N@H+](C[C@H](O)C[NH+]1CCC(C)(c2cccc(Cl)c2)CC1)C1CC1 ZINC000352351510 165358617 /nfs/dbraw/zinc/35/86/17/165358617.db2.gz YFQUOABVWANQCP-SFHVURJKSA-N 2 1 336.907 3.149 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH+]1CCC(C)(c2cccc(Cl)c2)CC1)C1CC1 ZINC000352351510 165358618 /nfs/dbraw/zinc/35/86/18/165358618.db2.gz YFQUOABVWANQCP-SFHVURJKSA-N 2 1 336.907 3.149 20 0 EGADMP CCCOc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000355207590 166133471 /nfs/dbraw/zinc/13/34/71/166133471.db2.gz OKOKQJULTVPOFP-YZGWKJHDSA-N 2 1 332.488 3.159 20 0 EGADMP CCCOc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000355207590 166133472 /nfs/dbraw/zinc/13/34/72/166133472.db2.gz OKOKQJULTVPOFP-YZGWKJHDSA-N 2 1 332.488 3.159 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000358918032 167005759 /nfs/dbraw/zinc/00/57/59/167005759.db2.gz VUIJGRYBRDMENB-IBGZPJMESA-N 2 1 326.488 3.428 20 0 EGADMP CC1CC[NH+](CCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000359144582 167080078 /nfs/dbraw/zinc/08/00/78/167080078.db2.gz TVIICIDTBUIIHD-FPOVZHCZSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H]1C[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000359191858 167091907 /nfs/dbraw/zinc/09/19/07/167091907.db2.gz OMWYKZXLFFXHRB-RXVVDRJESA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H]1C[C@@H]([NH+](C)CCC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000359191858 167091908 /nfs/dbraw/zinc/09/19/08/167091908.db2.gz OMWYKZXLFFXHRB-RXVVDRJESA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H]1C[C@@H]([NH+](C)CCC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000359191858 167091911 /nfs/dbraw/zinc/09/19/11/167091911.db2.gz OMWYKZXLFFXHRB-RXVVDRJESA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H]1C[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)CC[NH+]1Cc1ccccc1 ZINC000359191858 167091912 /nfs/dbraw/zinc/09/19/12/167091912.db2.gz OMWYKZXLFFXHRB-RXVVDRJESA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H]1C[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)CC[NH+]1Cc1ccccc1 ZINC000359191858 167091914 /nfs/dbraw/zinc/09/19/14/167091914.db2.gz OMWYKZXLFFXHRB-RXVVDRJESA-N 3 1 329.532 3.361 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1)Nc1ccccc1 ZINC000359195578 167092255 /nfs/dbraw/zinc/09/22/55/167092255.db2.gz UDCCSMOHNGEAHH-LJQANCHMSA-N 2 1 344.503 3.052 20 0 EGADMP CC(C)(C)c1csc([C@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)n1 ZINC000359197848 167093360 /nfs/dbraw/zinc/09/33/60/167093360.db2.gz VPWWDIQPEGFGIB-OAHLLOKOSA-N 2 1 337.533 3.204 20 0 EGADMP CC(C)(C)c1csc([C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)n1 ZINC000359197848 167093362 /nfs/dbraw/zinc/09/33/62/167093362.db2.gz VPWWDIQPEGFGIB-OAHLLOKOSA-N 2 1 337.533 3.204 20 0 EGADMP COCC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(F)cc1Cl ZINC000359209761 167095998 /nfs/dbraw/zinc/09/59/98/167095998.db2.gz LFGZZXGMNWAWHT-UHFFFAOYSA-N 2 1 328.859 3.317 20 0 EGADMP CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000359208745 167096219 /nfs/dbraw/zinc/09/62/19/167096219.db2.gz ADKUGLAQOZSLKH-IBGZPJMESA-N 2 1 331.504 3.131 20 0 EGADMP CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000359208746 167096246 /nfs/dbraw/zinc/09/62/46/167096246.db2.gz ADKUGLAQOZSLKH-LJQANCHMSA-N 2 1 331.504 3.131 20 0 EGADMP Clc1ccc(CN2CCC[N@@H+](CCC3CC[NH2+]CC3)CC2)cc1 ZINC000359226278 167100971 /nfs/dbraw/zinc/10/09/71/167100971.db2.gz UROXORIHJTWQDC-UHFFFAOYSA-N 2 1 335.923 3.237 20 0 EGADMP COC[C@H](CC(C)C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000360587949 167364130 /nfs/dbraw/zinc/36/41/30/167364130.db2.gz FXERJOXERPRTHP-XLIONFOSSA-N 2 1 334.504 3.058 20 0 EGADMP COC[C@H](CC(C)C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000360587949 167364133 /nfs/dbraw/zinc/36/41/33/167364133.db2.gz FXERJOXERPRTHP-XLIONFOSSA-N 2 1 334.504 3.058 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H](C)C3)cc2)CC1 ZINC000360720164 167396262 /nfs/dbraw/zinc/39/62/62/167396262.db2.gz XOVWLMHFMBMOIJ-GHTZIAJQSA-N 2 1 329.532 3.492 20 0 EGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@H]21 ZINC000366214149 168094780 /nfs/dbraw/zinc/09/47/80/168094780.db2.gz NKTFFKRUCPJVQE-HNAYVOBHSA-N 2 1 329.419 3.397 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@H]21 ZINC000366214149 168094783 /nfs/dbraw/zinc/09/47/83/168094783.db2.gz NKTFFKRUCPJVQE-HNAYVOBHSA-N 2 1 329.419 3.397 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@H]21 ZINC000366214149 168094784 /nfs/dbraw/zinc/09/47/84/168094784.db2.gz NKTFFKRUCPJVQE-HNAYVOBHSA-N 2 1 329.419 3.397 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@H]21 ZINC000366214149 168094786 /nfs/dbraw/zinc/09/47/86/168094786.db2.gz NKTFFKRUCPJVQE-HNAYVOBHSA-N 2 1 329.419 3.397 20 0 EGADMP COC[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1F ZINC000367490802 168233663 /nfs/dbraw/zinc/23/36/63/168233663.db2.gz PNOPKVBXKOTKBO-XEZPLFJOSA-N 2 1 326.843 3.383 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](c3nccn3C)C2)cc1OC(F)F ZINC000367703056 168260199 /nfs/dbraw/zinc/26/01/99/168260199.db2.gz MTEDTAUNUPVAHP-CYBMUJFWSA-N 2 1 337.370 3.020 20 0 EGADMP CC(C)(C)OC(=O)NC1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000174029620 265019466 /nfs/dbraw/zinc/01/94/66/265019466.db2.gz XQCSKBCWBWJBEZ-UHFFFAOYSA-N 2 1 337.508 3.039 20 0 EGADMP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCCn1ccnc1C ZINC000179492012 265379673 /nfs/dbraw/zinc/37/96/73/265379673.db2.gz LHXXKVHNGDCKPW-OAHLLOKOSA-N 2 1 328.460 3.103 20 0 EGADMP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000179492012 265379680 /nfs/dbraw/zinc/37/96/80/265379680.db2.gz LHXXKVHNGDCKPW-OAHLLOKOSA-N 2 1 328.460 3.103 20 0 EGADMP CC[C@H](C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000180087904 265395444 /nfs/dbraw/zinc/39/54/44/265395444.db2.gz AZWGVWSWPBNYCN-OFLPRAFFSA-N 2 1 339.524 3.286 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC[N@@H+]1C ZINC000193390259 266029148 /nfs/dbraw/zinc/02/91/48/266029148.db2.gz GVBZLYKBJNIGHC-PVAVHDDUSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC[N@H+]1C ZINC000193390259 266029151 /nfs/dbraw/zinc/02/91/51/266029151.db2.gz GVBZLYKBJNIGHC-PVAVHDDUSA-N 2 1 339.524 3.142 20 0 EGADMP COc1c(C)cnc(CN(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1C ZINC000269650255 266333264 /nfs/dbraw/zinc/33/32/64/266333264.db2.gz IFEDLLUBSDKBGD-GOSISDBHSA-N 2 1 345.487 3.072 20 0 EGADMP O[C@@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCc2ccccc21 ZINC000269826258 266363759 /nfs/dbraw/zinc/36/37/59/266363759.db2.gz QTMCFEVYEKEWEY-JOCHJYFZSA-N 2 1 336.479 3.075 20 0 EGADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275563415 267382114 /nfs/dbraw/zinc/38/21/14/267382114.db2.gz NZTKFYYVOVTCPK-UONOGXRCSA-N 2 1 346.862 3.106 20 0 EGADMP C[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000278485638 268024361 /nfs/dbraw/zinc/02/43/61/268024361.db2.gz BAMZWUSRXSLSIF-BVOGOJNSSA-N 2 1 330.516 3.285 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1OC(F)F ZINC000278500427 268026409 /nfs/dbraw/zinc/02/64/09/268026409.db2.gz LOFYUZVOCPRWSC-GJZGRUSLSA-N 2 1 342.430 3.440 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1OC(F)F ZINC000278500427 268026412 /nfs/dbraw/zinc/02/64/12/268026412.db2.gz LOFYUZVOCPRWSC-GJZGRUSLSA-N 2 1 342.430 3.440 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000181358405 275206376 /nfs/dbraw/zinc/20/63/76/275206376.db2.gz RFZNMQLXMFNLDS-DVOMOZLQSA-N 2 1 340.309 3.179 20 0 EGADMP COCC[NH+]1CCC([NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000278888149 275284599 /nfs/dbraw/zinc/28/45/99/275284599.db2.gz PGOGCUNPZZPUGP-UHFFFAOYSA-N 2 1 328.859 3.112 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)[C@H]1C ZINC000279868577 275367696 /nfs/dbraw/zinc/36/76/96/275367696.db2.gz JMGWCDNZBOUGMF-QRFRQXIXSA-N 2 1 344.499 3.002 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)[C@H]1C ZINC000279868577 275367698 /nfs/dbraw/zinc/36/76/98/275367698.db2.gz JMGWCDNZBOUGMF-QRFRQXIXSA-N 2 1 344.499 3.002 20 0 EGADMP COC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(Cl)c1F ZINC000287315020 276107375 /nfs/dbraw/zinc/10/73/75/276107375.db2.gz DDRXCDNYXNJMLF-HNNXBMFYSA-N 2 1 325.815 3.351 20 0 EGADMP Cc1ccnc(C)c1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000287492753 276124695 /nfs/dbraw/zinc/12/46/95/276124695.db2.gz KYEVOQVGGUNOTL-WBVHZDCISA-N 2 1 328.460 3.179 20 0 EGADMP C[C@H](O)CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000287680707 276146856 /nfs/dbraw/zinc/14/68/56/276146856.db2.gz WFKXUXRXYRZJCS-FYZZASKESA-N 2 1 330.516 3.428 20 0 EGADMP C[N@H+](Cc1c[nH]nc1-c1c(F)cccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289218496 276306080 /nfs/dbraw/zinc/30/60/80/276306080.db2.gz CJLKQVPDCUJOAU-YIONKMFJSA-N 2 1 346.425 3.412 20 0 EGADMP C[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289218496 276306081 /nfs/dbraw/zinc/30/60/81/276306081.db2.gz CJLKQVPDCUJOAU-YIONKMFJSA-N 2 1 346.425 3.412 20 0 EGADMP C[NH+](Cc1c[nH]nc1-c1c(F)cccc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289218496 276306083 /nfs/dbraw/zinc/30/60/83/276306083.db2.gz CJLKQVPDCUJOAU-YIONKMFJSA-N 2 1 346.425 3.412 20 0 EGADMP C[NH+](Cc1c[nH]nc1-c1c(F)cccc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289218496 276306084 /nfs/dbraw/zinc/30/60/84/276306084.db2.gz CJLKQVPDCUJOAU-YIONKMFJSA-N 2 1 346.425 3.412 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1nccc2ccccc21 ZINC000289544888 276355887 /nfs/dbraw/zinc/35/58/87/276355887.db2.gz BUJLPBQAQHUFAO-WMZOPIPTSA-N 2 1 327.472 3.122 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000289742745 276386689 /nfs/dbraw/zinc/38/66/89/276386689.db2.gz MEAXQSXQJMVRMN-VXGBXAGGSA-N 2 1 337.265 3.336 20 0 EGADMP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000263219950 278126288 /nfs/dbraw/zinc/12/62/88/278126288.db2.gz LSEHSKLVRNLBOJ-AZUAARDMSA-N 2 1 335.536 3.009 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000152400985 278351378 /nfs/dbraw/zinc/35/13/78/278351378.db2.gz PUZDCDYNGHPYMZ-KGLIPLIRSA-N 2 1 327.472 3.051 20 0 EGADMP CC[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1)C1CC1 ZINC000249717463 279055381 /nfs/dbraw/zinc/05/53/81/279055381.db2.gz JRJBJVZMSCRFOL-QGZVFWFLSA-N 2 1 343.515 3.019 20 0 EGADMP CC[NH+](CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000249717463 279055383 /nfs/dbraw/zinc/05/53/83/279055383.db2.gz JRJBJVZMSCRFOL-QGZVFWFLSA-N 2 1 343.515 3.019 20 0 EGADMP CC[NH+](CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000249717463 279055385 /nfs/dbraw/zinc/05/53/85/279055385.db2.gz JRJBJVZMSCRFOL-QGZVFWFLSA-N 2 1 343.515 3.019 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)cc1)C(C)C ZINC000177215906 279235742 /nfs/dbraw/zinc/23/57/42/279235742.db2.gz FDJAJFDRDQFBBN-QFBILLFUSA-N 2 1 343.515 3.272 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1)C(C)C ZINC000177215906 279235743 /nfs/dbraw/zinc/23/57/43/279235743.db2.gz FDJAJFDRDQFBBN-QFBILLFUSA-N 2 1 343.515 3.272 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1)C(C)C ZINC000177215906 279235744 /nfs/dbraw/zinc/23/57/44/279235744.db2.gz FDJAJFDRDQFBBN-QFBILLFUSA-N 2 1 343.515 3.272 20 0 EGADMP CCN1CC[NH+](CCCC[NH2+][C@H](CC(C)C)c2ccccn2)CC1 ZINC000154454430 279356826 /nfs/dbraw/zinc/35/68/26/279356826.db2.gz TZSLFAOKQXFVER-HXUWFJFHSA-N 2 1 332.536 3.176 20 0 EGADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000349208343 281303790 /nfs/dbraw/zinc/30/37/90/281303790.db2.gz LSQMJZITUCVLGF-APWZRJJASA-N 2 1 343.515 3.076 20 0 EGADMP C[C@H](C[NH2+]Cc1ccc(Br)cc1F)C[NH+]1CCCC1 ZINC000057994155 307347608 /nfs/dbraw/zinc/34/76/08/307347608.db2.gz HUBGZFFZSATEDO-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP C[NH+](C)CCC1CC[NH+](Cc2nc(CCc3ccccc3)no2)CC1 ZINC000075645023 307400820 /nfs/dbraw/zinc/40/08/20/307400820.db2.gz FBGJOCZTDUWATQ-UHFFFAOYSA-N 2 1 342.487 3.019 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000413940755 309053326 /nfs/dbraw/zinc/05/33/26/309053326.db2.gz SYSJJKVQNVGQQA-UHFFFAOYSA-N 2 1 335.448 3.263 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ncc(Br)cc1F ZINC000414198754 309066437 /nfs/dbraw/zinc/06/64/37/309066437.db2.gz WJUAUMZMCBBWCI-NWDGAFQWSA-N 2 1 344.272 3.366 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000414191427 309065861 /nfs/dbraw/zinc/06/58/61/309065861.db2.gz SMAFELWXZIKQMB-CVEARBPZSA-N 2 1 344.503 3.353 20 0 EGADMP CO[C@@](C)([C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000414227921 309067583 /nfs/dbraw/zinc/06/75/83/309067583.db2.gz LGRVHYPBJQVKRL-UTKZUKDTSA-N 2 1 330.516 3.487 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414318792 309072657 /nfs/dbraw/zinc/07/26/57/309072657.db2.gz QRZWULLDYAVTSD-INIZCTEOSA-N 2 1 330.451 3.141 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414318792 309072658 /nfs/dbraw/zinc/07/26/58/309072658.db2.gz QRZWULLDYAVTSD-INIZCTEOSA-N 2 1 330.451 3.141 20 0 EGADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000248413721 308002862 /nfs/dbraw/zinc/00/28/62/308002862.db2.gz LODQXZZRJBYSAF-BLCKVISQSA-N 2 1 341.543 3.215 20 0 EGADMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248413721 308002863 /nfs/dbraw/zinc/00/28/63/308002863.db2.gz LODQXZZRJBYSAF-BLCKVISQSA-N 2 1 341.543 3.215 20 0 EGADMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248413721 308002864 /nfs/dbraw/zinc/00/28/64/308002864.db2.gz LODQXZZRJBYSAF-BLCKVISQSA-N 2 1 341.543 3.215 20 0 EGADMP CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248413721 308002865 /nfs/dbraw/zinc/00/28/65/308002865.db2.gz LODQXZZRJBYSAF-BLCKVISQSA-N 2 1 341.543 3.215 20 0 EGADMP CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248413721 308002866 /nfs/dbraw/zinc/00/28/66/308002866.db2.gz LODQXZZRJBYSAF-BLCKVISQSA-N 2 1 341.543 3.215 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000249117354 308019321 /nfs/dbraw/zinc/01/93/21/308019321.db2.gz OIBNLZUKTHQWRH-NJYVYQBISA-N 2 1 330.516 3.224 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000263243693 308065139 /nfs/dbraw/zinc/06/51/39/308065139.db2.gz HDNDKRHZPSWDJL-XLIONFOSSA-N 2 1 345.531 3.169 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292881124 308075740 /nfs/dbraw/zinc/07/57/40/308075740.db2.gz DYAOCFKNHXNMAB-KBXCAEBGSA-N 2 1 335.879 3.085 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414457148 309081417 /nfs/dbraw/zinc/08/14/17/309081417.db2.gz FPCZVDHSNSVDQS-MRXNPFEDSA-N 2 1 330.451 3.141 20 0 EGADMP C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000293259968 308114659 /nfs/dbraw/zinc/11/46/59/308114659.db2.gz GBQCPJUMCYFIOY-IRXDYDNUSA-N 2 1 331.504 3.304 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000293259968 308114660 /nfs/dbraw/zinc/11/46/60/308114660.db2.gz GBQCPJUMCYFIOY-IRXDYDNUSA-N 2 1 331.504 3.304 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000293259968 308114661 /nfs/dbraw/zinc/11/46/61/308114661.db2.gz GBQCPJUMCYFIOY-IRXDYDNUSA-N 2 1 331.504 3.304 20 0 EGADMP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000293566187 308142564 /nfs/dbraw/zinc/14/25/64/308142564.db2.gz XTPROPQKUFASHD-GUXCAODWSA-N 2 1 332.463 3.367 20 0 EGADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1OC ZINC000293704829 308154475 /nfs/dbraw/zinc/15/44/75/308154475.db2.gz MIPQXWABKPROQC-GJZGRUSLSA-N 2 1 338.879 3.116 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCCCC[NH+]1CCCC1)c1ccccc1 ZINC000293977281 308179787 /nfs/dbraw/zinc/17/97/87/308179787.db2.gz RHDPVLBPBZFFON-IBGZPJMESA-N 2 1 331.504 3.062 20 0 EGADMP CSCC1CCC([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000294965329 308276835 /nfs/dbraw/zinc/27/68/35/308276835.db2.gz FCBFFURHDPTZDK-RRWXTXHCSA-N 2 1 348.556 3.265 20 0 EGADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@@H+](Cc2ccccc2)C1 ZINC000295122715 308294303 /nfs/dbraw/zinc/29/43/03/308294303.db2.gz XOYHLPMYRWHWFH-PVCSLBTHSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH+](Cc2ccccc2)C1 ZINC000295122715 308294304 /nfs/dbraw/zinc/29/43/04/308294304.db2.gz XOYHLPMYRWHWFH-PVCSLBTHSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH+](Cc2ccccc2)C1 ZINC000295122715 308294305 /nfs/dbraw/zinc/29/43/05/308294305.db2.gz XOYHLPMYRWHWFH-PVCSLBTHSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN(Cc2ccccc2)C1 ZINC000295122715 308294306 /nfs/dbraw/zinc/29/43/06/308294306.db2.gz XOYHLPMYRWHWFH-PVCSLBTHSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN(Cc2ccccc2)C1 ZINC000295122715 308294307 /nfs/dbraw/zinc/29/43/07/308294307.db2.gz XOYHLPMYRWHWFH-PVCSLBTHSA-N 2 1 327.516 3.112 20 0 EGADMP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000295209096 308303095 /nfs/dbraw/zinc/30/30/95/308303095.db2.gz PVNZUZRLUOVUIP-FXAWDEMLSA-N 2 1 339.483 3.022 20 0 EGADMP CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000295224112 308304753 /nfs/dbraw/zinc/30/47/53/308304753.db2.gz NAZSLFUEOKIRFU-MRXNPFEDSA-N 2 1 330.476 3.084 20 0 EGADMP CCOC(=O)c1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)[nH]c1C ZINC000295563122 308338976 /nfs/dbraw/zinc/33/89/76/308338976.db2.gz ZFWTYVIANVLVGP-GDBMZVCRSA-N 2 1 347.503 3.242 20 0 EGADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1OCc1ccccc1 ZINC000414658868 309094229 /nfs/dbraw/zinc/09/42/29/309094229.db2.gz KGJMXFZOCJQQBU-VQIMIIECSA-N 2 1 340.467 3.443 20 0 EGADMP Cc1cc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cn2cc[nH+]c12 ZINC000296884255 308477207 /nfs/dbraw/zinc/47/72/07/308477207.db2.gz MJPNTNLRQBFVKN-UHFFFAOYSA-N 2 1 329.448 3.073 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](CC(C)C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414695727 309095800 /nfs/dbraw/zinc/09/58/00/309095800.db2.gz OPSGYTJEIFDPBR-UYAOXDASSA-N 2 1 345.531 3.293 20 0 EGADMP C[C@@H](O)C[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000414768322 309099661 /nfs/dbraw/zinc/09/96/61/309099661.db2.gz USBJQHPDLCULQZ-KYHPRHEASA-N 2 1 338.923 3.342 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2OC(F)F)CC[NH2+]1 ZINC000414946010 309110663 /nfs/dbraw/zinc/11/06/63/309110663.db2.gz JEBCTNMYDVGFSA-ONGXEEELSA-N 2 1 349.219 3.281 20 0 EGADMP CC(C)(C)c1cnc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)s1 ZINC000333174282 308851965 /nfs/dbraw/zinc/85/19/65/308851965.db2.gz QMNYUMBVDBKDRS-CABCVRRESA-N 2 1 337.533 3.159 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c(Cl)c1 ZINC000414856128 309105822 /nfs/dbraw/zinc/10/58/22/309105822.db2.gz YHYCLOGCEKFBTO-UONOGXRCSA-N 2 1 325.884 3.329 20 0 EGADMP COc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1OCc1cccs1 ZINC000414881205 309107055 /nfs/dbraw/zinc/10/70/55/309107055.db2.gz ACIGVKVYMXWLCT-INIZCTEOSA-N 2 1 332.469 3.163 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414902122 309108334 /nfs/dbraw/zinc/10/83/34/309108334.db2.gz KKECTKANJZKKFT-NRFANRHFSA-N 2 1 340.515 3.336 20 0 EGADMP CCOc1cccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1OC(F)F ZINC000414904235 309108429 /nfs/dbraw/zinc/10/84/29/309108429.db2.gz NFDGTQXSADIOIW-QGZVFWFLSA-N 2 1 328.403 3.166 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414917917 309109100 /nfs/dbraw/zinc/10/91/00/309109100.db2.gz SKYUAYUMJRYQFW-IBGZPJMESA-N 2 1 348.441 3.247 20 0 EGADMP C[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414934073 309109965 /nfs/dbraw/zinc/10/99/65/309109965.db2.gz UYAODQRCILVSGF-RKDXNWHRSA-N 2 1 337.773 3.013 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c(C)c1 ZINC000414936601 309110243 /nfs/dbraw/zinc/11/02/43/309110243.db2.gz WSLQVOIWCCRPQF-WMZOPIPTSA-N 2 1 331.504 3.388 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC[NH2+]1 ZINC000414945181 309110598 /nfs/dbraw/zinc/11/05/98/309110598.db2.gz HZPGHBSUJOCCGX-COXVUDFISA-N 2 1 338.879 3.128 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000414951833 309111016 /nfs/dbraw/zinc/11/10/16/309111016.db2.gz HLDZOSYLWFJFAI-NQSCKRDGSA-N 2 1 335.495 3.299 20 0 EGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000414996615 309113254 /nfs/dbraw/zinc/11/32/54/309113254.db2.gz GNIMSBDRUZTZQT-SDZDHKAXSA-N 3 1 345.506 3.029 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1OC(C)C ZINC000415038657 309115887 /nfs/dbraw/zinc/11/58/87/309115887.db2.gz IDQAOSHOBCWFFO-ROUUACIJSA-N 2 1 332.488 3.446 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415062490 309117751 /nfs/dbraw/zinc/11/77/51/309117751.db2.gz FJDHDZSRQSAYRX-GUYCJALGSA-N 2 1 337.895 3.473 20 0 EGADMP C[N@@H+](Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1)C[C@H](O)C[NH3+] ZINC000415070264 309118116 /nfs/dbraw/zinc/11/81/16/309118116.db2.gz QIDADNLFMCVSHL-CYBMUJFWSA-N 2 1 344.402 3.185 20 0 EGADMP C[N@H+](Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1)C[C@H](O)C[NH3+] ZINC000415070264 309118117 /nfs/dbraw/zinc/11/81/17/309118117.db2.gz QIDADNLFMCVSHL-CYBMUJFWSA-N 2 1 344.402 3.185 20 0 EGADMP COCCOc1cc(C)ccc1C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415086477 309119259 /nfs/dbraw/zinc/11/92/59/309119259.db2.gz RREVTEYCWGDVPC-IEBWSBKVSA-N 2 1 334.504 3.421 20 0 EGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)C1 ZINC000415118897 309121614 /nfs/dbraw/zinc/12/16/14/309121614.db2.gz DRIZSJBILKVGNA-RDJZCZTQSA-N 2 1 326.843 3.197 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cc2)cs1 ZINC000415134812 309123133 /nfs/dbraw/zinc/12/31/33/309123133.db2.gz WEVNEFAIAJBSLB-WMLDXEAASA-N 2 1 345.512 3.447 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415880798 309145706 /nfs/dbraw/zinc/14/57/06/309145706.db2.gz GPGDFDAYFMGZSB-LJQANCHMSA-N 2 1 344.503 3.108 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415880797 309145771 /nfs/dbraw/zinc/14/57/71/309145771.db2.gz GPGDFDAYFMGZSB-IBGZPJMESA-N 2 1 344.503 3.108 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000415921640 309148903 /nfs/dbraw/zinc/14/89/03/309148903.db2.gz RWRPHHWKJDKVIR-MRXNPFEDSA-N 2 1 340.471 3.048 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3COC(C)(C)C3)CC2)cs1 ZINC000417931156 309228724 /nfs/dbraw/zinc/22/87/24/309228724.db2.gz PKFZDVCZFFSIHU-OAHLLOKOSA-N 2 1 337.533 3.075 20 0 EGADMP COCCCC[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000418128465 309236624 /nfs/dbraw/zinc/23/66/24/309236624.db2.gz BQUVGIWUVCBNPL-UHFFFAOYSA-N 2 1 333.520 3.075 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC000420297969 309280140 /nfs/dbraw/zinc/28/01/40/309280140.db2.gz ZHXXLMRAMAMYAF-HXUWFJFHSA-N 2 1 327.472 3.466 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC000420297969 309280141 /nfs/dbraw/zinc/28/01/41/309280141.db2.gz ZHXXLMRAMAMYAF-HXUWFJFHSA-N 2 1 327.472 3.466 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+](C)CCCOc2ccccc2)cc1 ZINC000420301628 309280356 /nfs/dbraw/zinc/28/03/56/309280356.db2.gz IQCCYNMJQOJQCI-GOSISDBHSA-N 2 1 328.456 3.138 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CCCOc2ccccc2)cc1 ZINC000420301628 309280357 /nfs/dbraw/zinc/28/03/57/309280357.db2.gz IQCCYNMJQOJQCI-GOSISDBHSA-N 2 1 328.456 3.138 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)cc1 ZINC000420313287 309281222 /nfs/dbraw/zinc/28/12/22/309281222.db2.gz XXAMRKVCDCWZQZ-BSIFCXSSSA-N 2 1 340.467 3.200 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)cc1 ZINC000420313287 309281223 /nfs/dbraw/zinc/28/12/23/309281223.db2.gz XXAMRKVCDCWZQZ-BSIFCXSSSA-N 2 1 340.467 3.200 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000420312681 309281297 /nfs/dbraw/zinc/28/12/97/309281297.db2.gz IHJPGMASRBCARD-UWVAXJGDSA-N 2 1 337.467 3.344 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000420312681 309281298 /nfs/dbraw/zinc/28/12/98/309281298.db2.gz IHJPGMASRBCARD-UWVAXJGDSA-N 2 1 337.467 3.344 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)CCC2)c1 ZINC000420316182 309281599 /nfs/dbraw/zinc/28/15/99/309281599.db2.gz LLJIWAPDFGLWBI-SJLPKXTDSA-N 2 1 332.488 3.051 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2ccc(OC)c(C)c2)cc1 ZINC000420314596 309281619 /nfs/dbraw/zinc/28/16/19/309281619.db2.gz ZCJWYENDXREFOB-SFHVURJKSA-N 2 1 328.456 3.187 20 0 EGADMP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000420320823 309282135 /nfs/dbraw/zinc/28/21/35/309282135.db2.gz BYXDHWYMZCHGTN-VXGBXAGGSA-N 2 1 333.423 3.292 20 0 EGADMP Cc1oc(-c2cccs2)nc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420344416 309283392 /nfs/dbraw/zinc/28/33/92/309283392.db2.gz YGTMZTIEEAKSSB-PBHICJAKSA-N 2 1 347.484 3.040 20 0 EGADMP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420344111 309283401 /nfs/dbraw/zinc/28/34/01/309283401.db2.gz SCUKUYJCTWAGKR-JYJNAYRXSA-N 2 1 347.528 3.057 20 0 EGADMP Cc1sc2[nH]c([C@H](C)[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)nc(=O)c2c1C ZINC000420346651 309283707 /nfs/dbraw/zinc/28/37/07/309283707.db2.gz XALNDWIAYWNYFU-FPMFFAJLSA-N 2 1 346.500 3.006 20 0 EGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOc1ccc(Cl)cc1Br ZINC000420357872 309283821 /nfs/dbraw/zinc/28/38/21/309283821.db2.gz HZOKNXAVMWWVLY-ZDUSSCGKSA-N 2 1 349.700 3.444 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cncc(OCc2ccccc2)c1 ZINC000420354932 309283843 /nfs/dbraw/zinc/28/38/43/309283843.db2.gz DOEZEUWLDUBKQJ-IBGZPJMESA-N 2 1 325.456 3.138 20 0 EGADMP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420393710 309286096 /nfs/dbraw/zinc/28/60/96/309286096.db2.gz QTJBJPJCSUZFRS-BMFZPTHFSA-N 2 1 335.492 3.251 20 0 EGADMP Fc1ccc(-c2cc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)on2)cc1 ZINC000420404356 309286618 /nfs/dbraw/zinc/28/66/18/309286618.db2.gz RYACWIFUVZSMRS-KXBFYZLASA-N 2 1 329.419 3.445 20 0 EGADMP Fc1ccc(-c2cc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)on2)cc1 ZINC000420404356 309286619 /nfs/dbraw/zinc/28/66/19/309286619.db2.gz RYACWIFUVZSMRS-KXBFYZLASA-N 2 1 329.419 3.445 20 0 EGADMP CCC[C@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(F)cc1F ZINC000420416840 309287212 /nfs/dbraw/zinc/28/72/12/309287212.db2.gz VYHLRELRVQQPLE-UFYCRDLUSA-N 2 1 348.437 3.327 20 0 EGADMP c1cc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)ccc1C[NH+]1CCOCC1 ZINC000420919256 309300826 /nfs/dbraw/zinc/30/08/26/309300826.db2.gz YQTHDSUAMARFDC-WOJBJXKFSA-N 2 1 346.540 3.379 20 0 EGADMP c1cc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)ccc1C[NH+]1CCOCC1 ZINC000420919256 309300827 /nfs/dbraw/zinc/30/08/27/309300827.db2.gz YQTHDSUAMARFDC-WOJBJXKFSA-N 2 1 346.540 3.379 20 0 EGADMP COCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCC[C@H]1C ZINC000420927485 309301702 /nfs/dbraw/zinc/30/17/02/309301702.db2.gz ZNNVKEYRWAZTQH-NQIIRXRSSA-N 2 1 346.515 3.156 20 0 EGADMP COCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCC[C@H]1C ZINC000420927485 309301703 /nfs/dbraw/zinc/30/17/03/309301703.db2.gz ZNNVKEYRWAZTQH-NQIIRXRSSA-N 2 1 346.515 3.156 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C(C)C)[C@H](C)c2ccsc2)CC1 ZINC000421000341 309306813 /nfs/dbraw/zinc/30/68/13/309306813.db2.gz DCLDVSIVWKDPRE-OAHLLOKOSA-N 2 1 337.533 3.120 20 0 EGADMP COC1CC[NH+](C2(C[NH2+][C@H](C)C3(OC)CCCC3)CCCC2)CC1 ZINC000421835634 309342504 /nfs/dbraw/zinc/34/25/04/309342504.db2.gz QCZSHWQHEFHUJV-QGZVFWFLSA-N 2 1 338.536 3.347 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422713385 309364371 /nfs/dbraw/zinc/36/43/71/309364371.db2.gz JORIZGJVZNTIEK-HJNYFJLDSA-N 2 1 343.559 3.451 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422713385 309364372 /nfs/dbraw/zinc/36/43/72/309364372.db2.gz JORIZGJVZNTIEK-HJNYFJLDSA-N 3 1 343.559 3.451 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422713385 309364373 /nfs/dbraw/zinc/36/43/73/309364373.db2.gz JORIZGJVZNTIEK-HJNYFJLDSA-N 3 1 343.559 3.451 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422718777 309364591 /nfs/dbraw/zinc/36/45/91/309364591.db2.gz QAXYSIQIXODZME-GXRSIYKFSA-N 3 1 341.543 3.061 20 0 EGADMP c1ccc(CC[N@@H+]2CC[C@H](CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422718777 309364592 /nfs/dbraw/zinc/36/45/92/309364592.db2.gz QAXYSIQIXODZME-GXRSIYKFSA-N 2 1 341.543 3.061 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422718777 309364593 /nfs/dbraw/zinc/36/45/93/309364593.db2.gz QAXYSIQIXODZME-GXRSIYKFSA-N 2 1 341.543 3.061 20 0 EGADMP C[C@@H](N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000422726592 309365276 /nfs/dbraw/zinc/36/52/76/309365276.db2.gz FLRWSUOUUIYQJZ-XOKHGSTOSA-N 2 1 341.421 3.010 20 0 EGADMP C[C@H](N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000422725941 309365314 /nfs/dbraw/zinc/36/53/14/309365314.db2.gz CPXQQGURDDTMDR-QRFRQXIXSA-N 2 1 329.532 3.047 20 0 EGADMP C[C@H](N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000422725941 309365315 /nfs/dbraw/zinc/36/53/15/309365315.db2.gz CPXQQGURDDTMDR-QRFRQXIXSA-N 2 1 329.532 3.047 20 0 EGADMP CC[C@@H](C(=O)Nc1cccc(C[NH2+]C)c1)[N@@H+](C)Cc1ccccc1 ZINC000422736500 309365885 /nfs/dbraw/zinc/36/58/85/309365885.db2.gz GICKPPNNYDYSNJ-IBGZPJMESA-N 2 1 325.456 3.255 20 0 EGADMP c1csc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422735784 309365950 /nfs/dbraw/zinc/36/59/50/309365950.db2.gz WPRBDRYBPQJOCA-FJIDUMEYSA-N 2 1 333.545 3.395 20 0 EGADMP OC[C@H](C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)Cc1ccc(F)cc1 ZINC000422752686 309366720 /nfs/dbraw/zinc/36/67/20/309366720.db2.gz FCXPINQDDXUHAQ-IOMROCGXSA-N 2 1 342.458 3.060 20 0 EGADMP COc1cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])ccc1OCc1ccccc1 ZINC000422772771 309367573 /nfs/dbraw/zinc/36/75/73/309367573.db2.gz SWBKNXYHKNLFNF-MSOLQXFVSA-N 2 1 326.440 3.244 20 0 EGADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCCCC[C@@H]3N)CC2)cc1 ZINC000422781673 309368155 /nfs/dbraw/zinc/36/81/55/309368155.db2.gz MEIQCSCDTDPAHI-SFTDATJTSA-N 2 1 345.531 3.157 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000422829018 309370693 /nfs/dbraw/zinc/37/06/93/309370693.db2.gz UHUMJMXSGQEBKU-CNNODRBYSA-N 2 1 339.527 3.445 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c(OC[C@H]2CCCO2)c1 ZINC000422870764 309372814 /nfs/dbraw/zinc/37/28/14/309372814.db2.gz CFDJHHPORMOTPL-GUDVDZBRSA-N 2 1 332.488 3.302 20 0 EGADMP CCCOc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422872288 309373117 /nfs/dbraw/zinc/37/31/17/309373117.db2.gz GMTYGZNJJOMRAU-IPMKNSEASA-N 2 1 332.488 3.031 20 0 EGADMP C[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422913959 309376055 /nfs/dbraw/zinc/37/60/55/309376055.db2.gz ZOCHJWOHFYQALP-LQWHRVPQSA-N 2 1 325.500 3.055 20 0 EGADMP COc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000422930792 309376635 /nfs/dbraw/zinc/37/66/35/309376635.db2.gz VXLJTAZPTBOEKH-AZUAARDMSA-N 2 1 342.414 3.180 20 0 EGADMP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c2c(c1)OCCCO2 ZINC000422989597 309379765 /nfs/dbraw/zinc/37/97/65/309379765.db2.gz LYPOYJKVEFLJEL-OKZBNKHCSA-N 2 1 330.472 3.248 20 0 EGADMP C[C@H]1C[C@@H](CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000423002238 309380363 /nfs/dbraw/zinc/38/03/63/309380363.db2.gz JEYKRPNFUYSFQG-JYRKZWEQSA-N 3 1 329.532 3.265 20 0 EGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000423026674 309381817 /nfs/dbraw/zinc/38/18/17/309381817.db2.gz BVXODMZBDSEMPU-OXQOHEQNSA-N 2 1 334.467 3.135 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NC4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@@H]3C2)cc1 ZINC000423030168 309381953 /nfs/dbraw/zinc/38/19/53/309381953.db2.gz JJUDPPODIWMWKM-IVTCSKLLSA-N 2 1 339.527 3.160 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@@H]3C2)cc1 ZINC000423030168 309381954 /nfs/dbraw/zinc/38/19/54/309381954.db2.gz JJUDPPODIWMWKM-IVTCSKLLSA-N 3 1 339.527 3.160 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@@H]3C2)cc1 ZINC000423030168 309381955 /nfs/dbraw/zinc/38/19/55/309381955.db2.gz JJUDPPODIWMWKM-IVTCSKLLSA-N 3 1 339.527 3.160 20 0 EGADMP CN1C[C@H](C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)Cc2ccccc21 ZINC000423060890 309383842 /nfs/dbraw/zinc/38/38/42/309383842.db2.gz PPMMXNNSKZNJBR-WMQCIHAUSA-N 2 1 335.495 3.378 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)[C@H]1CCCC[NH2+]1 ZINC000423078716 309384813 /nfs/dbraw/zinc/38/48/13/309384813.db2.gz WNQMKBIEGTUSJL-OBZTUIKSSA-N 2 1 334.479 3.020 20 0 EGADMP c1ccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000423081725 309385033 /nfs/dbraw/zinc/38/50/33/309385033.db2.gz VJZOBKWXPIAGEF-IFLJBQAJSA-N 2 1 328.500 3.460 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423094696 309385669 /nfs/dbraw/zinc/38/56/69/309385669.db2.gz KMCZZJUGVZAYOZ-XNIJJKJLSA-N 2 1 341.268 3.422 20 0 EGADMP C[C@@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)[C@H]1CCCC[NH2+]1 ZINC000423094745 309385743 /nfs/dbraw/zinc/38/57/43/309385743.db2.gz KRLCJVGPPIERSL-CZUORRHYSA-N 2 1 330.394 3.290 20 0 EGADMP Brc1cncc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)c1 ZINC000423102333 309385951 /nfs/dbraw/zinc/38/59/51/309385951.db2.gz JVLNVHAYLKDRIN-VFSICIBPSA-N 2 1 336.277 3.168 20 0 EGADMP COc1cc(OC)cc(Oc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])c2)c1 ZINC000423112109 309386513 /nfs/dbraw/zinc/38/65/13/309386513.db2.gz XCBKAGIVQOLKPS-VQTJNVASSA-N 2 1 342.439 3.466 20 0 EGADMP COCc1nc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c(-c2ccccc2)s1 ZINC000423114519 309386749 /nfs/dbraw/zinc/38/67/49/309386749.db2.gz ZMBMBRPAGCUFPA-GOEBONIOSA-N 2 1 345.512 3.434 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000423167823 309389071 /nfs/dbraw/zinc/38/90/71/309389071.db2.gz XHJKULOGKFFXRZ-HZPDHXFCSA-N 2 1 330.451 3.412 20 0 EGADMP [NH3+]C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1CCCCC1 ZINC000423264301 309392892 /nfs/dbraw/zinc/39/28/92/309392892.db2.gz PUTJQNWSHNKWOI-MBDNFAEBSA-N 2 1 341.543 3.394 20 0 EGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423263041 309393037 /nfs/dbraw/zinc/39/30/37/309393037.db2.gz ALXUYJSXQRGSHM-LESCRADOSA-N 2 1 338.467 3.408 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000423299998 309394508 /nfs/dbraw/zinc/39/45/08/309394508.db2.gz QTOPYSBXIIOFKY-AZUAARDMSA-N 2 1 327.472 3.481 20 0 EGADMP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000423320108 309395061 /nfs/dbraw/zinc/39/50/61/309395061.db2.gz DCFVMCJXIAHAKT-GJYPPUQNSA-N 2 1 329.488 3.388 20 0 EGADMP CC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]CC1 ZINC000423336504 309395874 /nfs/dbraw/zinc/39/58/74/309395874.db2.gz SWRGTIWPMPCEPJ-PCCBWWKXSA-N 3 1 341.543 3.266 20 0 EGADMP C[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000423337835 309396078 /nfs/dbraw/zinc/39/60/78/309396078.db2.gz UFHCMAMTTCPNQH-JFIYKMOQSA-N 2 1 331.504 3.092 20 0 EGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423503448 309403276 /nfs/dbraw/zinc/40/32/76/309403276.db2.gz FQOYTSXMCJQMJA-YOEHRIQHSA-N 2 1 345.512 3.456 20 0 EGADMP Cc1noc(C[C@H]([NH2+]CCCCn2cc[nH+]c2C)c2ccccc2)n1 ZINC000429555939 309584667 /nfs/dbraw/zinc/58/46/67/309584667.db2.gz NXZOYSNGOUJUNJ-SFHVURJKSA-N 2 1 339.443 3.237 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000433292123 309684917 /nfs/dbraw/zinc/68/49/17/309684917.db2.gz YSPJUISFAXAWCB-LJQANCHMSA-N 2 1 327.472 3.465 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000448342986 310002327 /nfs/dbraw/zinc/00/23/27/310002327.db2.gz ICBHDOZWOFUYJG-OAHLLOKOSA-N 2 1 339.549 3.373 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000448342986 310002328 /nfs/dbraw/zinc/00/23/28/310002328.db2.gz ICBHDOZWOFUYJG-OAHLLOKOSA-N 2 1 339.549 3.373 20 0 EGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)OCCCCO4)CC[C@H]21 ZINC000449049564 310033176 /nfs/dbraw/zinc/03/31/76/310033176.db2.gz RVHLAQIFSUFBDT-ZWKOTPCHSA-N 2 1 330.472 3.154 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)OCCCCO4)CC[C@H]21 ZINC000449049564 310033177 /nfs/dbraw/zinc/03/31/77/310033177.db2.gz RVHLAQIFSUFBDT-ZWKOTPCHSA-N 2 1 330.472 3.154 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4c(c3)OCCCCO4)CC[C@H]21 ZINC000449049564 310033178 /nfs/dbraw/zinc/03/31/78/310033178.db2.gz RVHLAQIFSUFBDT-ZWKOTPCHSA-N 2 1 330.472 3.154 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4c(c3)OCCCCO4)CC[C@H]21 ZINC000449049564 310033179 /nfs/dbraw/zinc/03/31/79/310033179.db2.gz RVHLAQIFSUFBDT-ZWKOTPCHSA-N 2 1 330.472 3.154 20 0 EGADMP CCc1nn(C)cc1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449254181 310047722 /nfs/dbraw/zinc/04/77/22/310047722.db2.gz WLZBHYDOGFJCQD-QGZVFWFLSA-N 2 1 340.515 3.168 20 0 EGADMP Cn1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(-c2ccc(F)cc2)n1 ZINC000449282183 310049902 /nfs/dbraw/zinc/04/99/02/310049902.db2.gz GPRAVAKZEHVIKJ-GOSISDBHSA-N 2 1 330.451 3.142 20 0 EGADMP Cn1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(-c2ccc(F)cc2)n1 ZINC000449282183 310049903 /nfs/dbraw/zinc/04/99/03/310049903.db2.gz GPRAVAKZEHVIKJ-GOSISDBHSA-N 2 1 330.451 3.142 20 0 EGADMP COCC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000449550306 310070688 /nfs/dbraw/zinc/07/06/88/310070688.db2.gz COILCKOHOYRRNF-MRXNPFEDSA-N 2 1 330.394 3.467 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000450190669 310107832 /nfs/dbraw/zinc/10/78/32/310107832.db2.gz VIVVSMUOKNLLDE-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000450190669 310107833 /nfs/dbraw/zinc/10/78/33/310107833.db2.gz VIVVSMUOKNLLDE-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCc2cccs2)CC1 ZINC000450281538 310113025 /nfs/dbraw/zinc/11/30/25/310113025.db2.gz DISVTKZKNYJZKM-GOSISDBHSA-N 2 1 335.561 3.171 20 0 EGADMP CCc1ccc2[nH+]ccc(N3C[C@@H]([NH+]4CCOCC4)C[C@@H]3C)c2c1 ZINC000450529656 310128424 /nfs/dbraw/zinc/12/84/24/310128424.db2.gz NSXBHABDBZMTSM-RDJZCZTQSA-N 2 1 325.456 3.097 20 0 EGADMP C[C@@H](CCCc1cccnc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000453083730 310256874 /nfs/dbraw/zinc/25/68/74/310256874.db2.gz NFOAFXAZTMSJSO-GBESFXJTSA-N 2 1 333.520 3.272 20 0 EGADMP COCC[N@@H+](C)CC[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1ccccc1 ZINC000453109409 310258475 /nfs/dbraw/zinc/25/84/75/310258475.db2.gz PKXBMAWTDMATFR-WDSOQIARSA-N 2 1 342.487 3.188 20 0 EGADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453117432 310259109 /nfs/dbraw/zinc/25/91/09/310259109.db2.gz KQPHDBMCFTZQBC-MXEMCNAFSA-N 2 1 330.516 3.426 20 0 EGADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCOCC1 ZINC000453118117 310259129 /nfs/dbraw/zinc/25/91/29/310259129.db2.gz ALAIJRMWUPBPFQ-WSTZPKSXSA-N 2 1 346.515 3.213 20 0 EGADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCOCC1 ZINC000453118117 310259130 /nfs/dbraw/zinc/25/91/30/310259130.db2.gz ALAIJRMWUPBPFQ-WSTZPKSXSA-N 2 1 346.515 3.213 20 0 EGADMP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C1CC1 ZINC000453132145 310259944 /nfs/dbraw/zinc/25/99/44/310259944.db2.gz XNUCPRXCFOLMPP-CGXNFDGLSA-N 2 1 328.500 3.180 20 0 EGADMP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453137750 310260306 /nfs/dbraw/zinc/26/03/06/310260306.db2.gz CUYXEFXRFAVPSS-AGOUYOECSA-N 2 1 348.556 3.176 20 0 EGADMP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453137750 310260307 /nfs/dbraw/zinc/26/03/07/310260307.db2.gz CUYXEFXRFAVPSS-AGOUYOECSA-N 2 1 348.556 3.176 20 0 EGADMP FC(F)COCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453224220 310265039 /nfs/dbraw/zinc/26/50/39/310265039.db2.gz PSJBXLRZAKSEQH-KSZLIROESA-N 2 1 338.442 3.301 20 0 EGADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000453407397 310275402 /nfs/dbraw/zinc/27/54/02/310275402.db2.gz PSWATEGABIYURY-PFAUGDHASA-N 2 1 328.500 3.444 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CN(Cc2ccccc2)C1 ZINC000453590199 310283142 /nfs/dbraw/zinc/28/31/42/310283142.db2.gz AYMWJHCFBYBFTM-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP Cc1cc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cn2cc[nH+]c12 ZINC000455650892 310371329 /nfs/dbraw/zinc/37/13/29/310371329.db2.gz FGHHHPUFLSDTCJ-MRXNPFEDSA-N 2 1 343.475 3.419 20 0 EGADMP Cc1cc(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cn2cc[nH+]c12 ZINC000455650892 310371330 /nfs/dbraw/zinc/37/13/30/310371330.db2.gz FGHHHPUFLSDTCJ-MRXNPFEDSA-N 2 1 343.475 3.419 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1 ZINC000482151074 310927104 /nfs/dbraw/zinc/92/71/04/310927104.db2.gz YZUFFOQYFVCOCV-APWZRJJASA-N 2 1 347.503 3.124 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000482166309 310927753 /nfs/dbraw/zinc/92/77/53/310927753.db2.gz TUWBPPNXYAKNER-MAUKXSAKSA-N 2 1 335.467 3.254 20 0 EGADMP CCCc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000490963941 311159042 /nfs/dbraw/zinc/15/90/42/311159042.db2.gz ISOKOXOESJTDLV-NQIIRXRSSA-N 2 1 329.532 3.097 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)N(C)C2CCCCC2)C1 ZINC000506471534 312049878 /nfs/dbraw/zinc/04/98/78/312049878.db2.gz CWXKNZSDWAUGJW-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP Cc1cnn(C)c1C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512046034 312174223 /nfs/dbraw/zinc/17/42/23/312174223.db2.gz PUMAUMPPLSVNCB-PKOBYXMFSA-N 2 1 326.488 3.119 20 0 EGADMP CCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512665690 312191754 /nfs/dbraw/zinc/19/17/54/312191754.db2.gz HBXBWSSRMARKSH-NCYKPQTJSA-N 2 1 330.516 3.428 20 0 EGADMP CN1CC[NH+](CCCS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000516063092 312307129 /nfs/dbraw/zinc/30/71/29/312307129.db2.gz LWBNJNSZEPDSOW-HXUWFJFHSA-N 2 1 347.572 3.022 20 0 EGADMP C[NH+]1CCN(CCCS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000516063092 312307131 /nfs/dbraw/zinc/30/71/31/312307131.db2.gz LWBNJNSZEPDSOW-HXUWFJFHSA-N 2 1 347.572 3.022 20 0 EGADMP C[NH+]1CCN(CCCS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000516063092 312307133 /nfs/dbraw/zinc/30/71/33/312307133.db2.gz LWBNJNSZEPDSOW-HXUWFJFHSA-N 2 1 347.572 3.022 20 0 EGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(-c4cccs4)on3)CC2)C1 ZINC000516556901 312329178 /nfs/dbraw/zinc/32/91/78/312329178.db2.gz WRGGFXOUSGZNCG-GOEBONIOSA-N 2 1 347.484 3.121 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000529526151 313344038 /nfs/dbraw/zinc/34/40/38/313344038.db2.gz SANFGMIGQNKUEF-ROUUACIJSA-N 2 1 340.515 3.158 20 0 EGADMP COc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc(C(F)(F)F)c1 ZINC000529569640 313358121 /nfs/dbraw/zinc/35/81/21/313358121.db2.gz PBRVCGDUWCZUGT-MLGOLLRUSA-N 2 1 330.394 3.486 20 0 EGADMP COc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc(C(F)(F)F)c1 ZINC000529569640 313358123 /nfs/dbraw/zinc/35/81/23/313358123.db2.gz PBRVCGDUWCZUGT-MLGOLLRUSA-N 2 1 330.394 3.486 20 0 EGADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc(C(F)(F)F)c1 ZINC000529569640 313358125 /nfs/dbraw/zinc/35/81/25/313358125.db2.gz PBRVCGDUWCZUGT-MLGOLLRUSA-N 2 1 330.394 3.486 20 0 EGADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc(C(F)(F)F)c1 ZINC000529569640 313358128 /nfs/dbraw/zinc/35/81/28/313358128.db2.gz PBRVCGDUWCZUGT-MLGOLLRUSA-N 2 1 330.394 3.486 20 0 EGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc(C(F)(F)F)c1 ZINC000529569640 313358132 /nfs/dbraw/zinc/35/81/32/313358132.db2.gz PBRVCGDUWCZUGT-MLGOLLRUSA-N 2 1 330.394 3.486 20 0 EGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc(C(F)(F)F)c1 ZINC000529569640 313358134 /nfs/dbraw/zinc/35/81/34/313358134.db2.gz PBRVCGDUWCZUGT-MLGOLLRUSA-N 2 1 330.394 3.486 20 0 EGADMP O[C@@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(Cl)cccc1Cl ZINC000090079080 454274280 /nfs/dbraw/zinc/27/42/80/454274280.db2.gz UAXQYFFAFXYYBN-JMSVASOKSA-N 2 1 329.271 3.243 20 0 EGADMP O[C@@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1c(Cl)cccc1Cl ZINC000090079080 454274284 /nfs/dbraw/zinc/27/42/84/454274284.db2.gz UAXQYFFAFXYYBN-JMSVASOKSA-N 2 1 329.271 3.243 20 0 EGADMP COc1cc(C)[nH+]c(CN2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000535286565 314037385 /nfs/dbraw/zinc/03/73/85/314037385.db2.gz AFIAZBRHIUZPPY-UHFFFAOYSA-N 2 1 331.504 3.487 20 0 EGADMP COc1cc(C)[nH+]c(CN2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000535286565 314037388 /nfs/dbraw/zinc/03/73/88/314037388.db2.gz AFIAZBRHIUZPPY-UHFFFAOYSA-N 2 1 331.504 3.487 20 0 EGADMP CC[N@H+](CCC1CCN(c2cc[nH+]c(N(C)C)n2)CC1)CC(C)C ZINC000536892509 314152678 /nfs/dbraw/zinc/15/26/78/314152678.db2.gz FHLKWARNRAGFQH-UHFFFAOYSA-N 2 1 333.524 3.127 20 0 EGADMP CC[N@@H+](CCC1CCN(c2cc[nH+]c(N(C)C)n2)CC1)CC(C)C ZINC000536892509 314152681 /nfs/dbraw/zinc/15/26/81/314152681.db2.gz FHLKWARNRAGFQH-UHFFFAOYSA-N 2 1 333.524 3.127 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000549796748 315104891 /nfs/dbraw/zinc/10/48/91/315104891.db2.gz HPHWVHDSWVAKJT-PZJWPPBQSA-N 2 1 348.506 3.173 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000551008321 315139889 /nfs/dbraw/zinc/13/98/89/315139889.db2.gz WMSMOUKCWPVUQY-BVSLBCMMSA-N 2 1 338.495 3.263 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000551008321 315139891 /nfs/dbraw/zinc/13/98/91/315139891.db2.gz WMSMOUKCWPVUQY-BVSLBCMMSA-N 2 1 338.495 3.263 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(O)CCCC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000552357502 315216071 /nfs/dbraw/zinc/21/60/71/315216071.db2.gz CMYIQECCVVZFDQ-DSKINZAPSA-N 2 1 330.516 3.428 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccccc3C)CC2)CC1 ZINC000552814125 315233899 /nfs/dbraw/zinc/23/38/99/315233899.db2.gz DWBXRVAGTQZGGI-UHFFFAOYSA-N 2 1 329.488 3.130 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCC34CCOCC4)CC2)cc1 ZINC000554560863 315332377 /nfs/dbraw/zinc/33/23/77/315332377.db2.gz FYNHFOFCMQTVKY-FQEVSTJZSA-N 2 1 328.500 3.242 20 0 EGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000563135920 315963987 /nfs/dbraw/zinc/96/39/87/315963987.db2.gz PHHNITKCMGMGIB-QWRGUYRKSA-N 2 1 337.265 3.055 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3CCC(C)CC3)CC2)CC1 ZINC000563375774 316010444 /nfs/dbraw/zinc/01/04/44/316010444.db2.gz XKKRNWGABGZORT-UHFFFAOYSA-N 2 1 349.563 3.125 20 0 EGADMP CCn1ccnc1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000563622323 316047705 /nfs/dbraw/zinc/04/77/05/316047705.db2.gz DCPIUQVHNMEZNA-RBUKOAKNSA-N 2 1 326.488 3.075 20 0 EGADMP CCn1ccnc1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000563622323 316047706 /nfs/dbraw/zinc/04/77/06/316047706.db2.gz DCPIUQVHNMEZNA-RBUKOAKNSA-N 2 1 326.488 3.075 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000564096011 316112669 /nfs/dbraw/zinc/11/26/69/316112669.db2.gz DAQMFACJGHJLBC-MGPQQGTHSA-N 2 1 332.410 3.100 20 0 EGADMP Fc1ccccc1-c1cnc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000565308494 316307591 /nfs/dbraw/zinc/30/75/91/316307591.db2.gz VRDZKAWBYTYXJA-HUUCEWRRSA-N 2 1 329.419 3.302 20 0 EGADMP CC(C)[C@@H](C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)[C@H](C)[NH3+] ZINC000566676967 316511901 /nfs/dbraw/zinc/51/19/01/316511901.db2.gz GZIRJPZWELCUGL-DZGCQCFKSA-N 2 1 338.521 3.077 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000570060734 317002626 /nfs/dbraw/zinc/00/26/26/317002626.db2.gz PMUONPGDBLCMDK-UHFFFAOYSA-N 2 1 334.217 3.490 20 0 EGADMP CCCCCOc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000571920734 317266263 /nfs/dbraw/zinc/26/62/63/317266263.db2.gz GGKZLHOKYISSHN-QZTJIDSGSA-N 2 1 332.488 3.306 20 0 EGADMP CCCCCOc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000571920734 317266267 /nfs/dbraw/zinc/26/62/67/317266267.db2.gz GGKZLHOKYISSHN-QZTJIDSGSA-N 2 1 332.488 3.306 20 0 EGADMP C[N@H+]1CCC[C@H](CCNC(=O)c2ccccc2Oc2ccncc2)C1 ZINC000572339679 317323457 /nfs/dbraw/zinc/32/34/57/317323457.db2.gz UREKTBMTNACANA-MRXNPFEDSA-N 2 1 339.439 3.336 20 0 EGADMP C[C@@H]1C[C@H](N(C)Cc2ncccc2O)CC[N@H+]1Cc1ccccc1 ZINC000572407681 317334182 /nfs/dbraw/zinc/33/41/82/317334182.db2.gz DBLBYHNPEAFOHT-SJLPKXTDSA-N 2 1 325.456 3.272 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ncccc2O)CCN1Cc1ccccc1 ZINC000572407681 317334184 /nfs/dbraw/zinc/33/41/84/317334184.db2.gz DBLBYHNPEAFOHT-SJLPKXTDSA-N 2 1 325.456 3.272 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ncccc2O)CCN1Cc1ccccc1 ZINC000572407681 317334187 /nfs/dbraw/zinc/33/41/87/317334187.db2.gz DBLBYHNPEAFOHT-SJLPKXTDSA-N 2 1 325.456 3.272 20 0 EGADMP COCC[NH+]1CCC([NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000572685634 317374326 /nfs/dbraw/zinc/37/43/26/317374326.db2.gz CHPRRMRHKUOFAZ-MRXNPFEDSA-N 2 1 344.421 3.108 20 0 EGADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(CO)o2)CC1 ZINC000174271456 323304271 /nfs/dbraw/zinc/30/42/71/323304271.db2.gz AWERVGZCDZRVLE-UHFFFAOYSA-N 2 1 328.456 3.294 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCC(F)(F)F ZINC000174516526 323307513 /nfs/dbraw/zinc/30/75/13/323307513.db2.gz CVSWGTRZXRARLT-OCCSQVGLSA-N 2 1 346.393 3.209 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCC(F)(F)F ZINC000174516526 323307514 /nfs/dbraw/zinc/30/75/14/323307514.db2.gz CVSWGTRZXRARLT-OCCSQVGLSA-N 2 1 346.393 3.209 20 0 EGADMP CC1(C)CCC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000178007661 323349697 /nfs/dbraw/zinc/34/96/97/323349697.db2.gz QOHUUXRALSEJHD-OALUTQOASA-N 2 1 343.515 3.052 20 0 EGADMP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379664181 324240703 /nfs/dbraw/zinc/24/07/03/324240703.db2.gz OFNZUNZJVTWJOS-SLFFLAALSA-N 2 1 343.515 3.065 20 0 EGADMP CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000383770240 324257663 /nfs/dbraw/zinc/25/76/63/324257663.db2.gz NDTOZKGINJMGEB-INIZCTEOSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000387475463 324271867 /nfs/dbraw/zinc/27/18/67/324271867.db2.gz UMBALIOZVIOBRH-QWFCFKBJSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000387475463 324271868 /nfs/dbraw/zinc/27/18/68/324271868.db2.gz UMBALIOZVIOBRH-QWFCFKBJSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000387475463 324271872 /nfs/dbraw/zinc/27/18/72/324271872.db2.gz UMBALIOZVIOBRH-QWFCFKBJSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000387475463 324271875 /nfs/dbraw/zinc/27/18/75/324271875.db2.gz UMBALIOZVIOBRH-QWFCFKBJSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000387475463 324271877 /nfs/dbraw/zinc/27/18/77/324271877.db2.gz UMBALIOZVIOBRH-QWFCFKBJSA-N 2 1 329.532 3.359 20 0 EGADMP Cc1ccccc1[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000578752044 325013448 /nfs/dbraw/zinc/01/34/48/325013448.db2.gz CMPIQRDPVVITHI-FQEVSTJZSA-N 2 1 339.483 3.151 20 0 EGADMP C[NH+](C)CCCC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000579821751 325163508 /nfs/dbraw/zinc/16/35/08/325163508.db2.gz PDOWMVZSLLQULI-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP COc1ccc([C@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)cc1OC ZINC000580208580 325218722 /nfs/dbraw/zinc/21/87/22/325218722.db2.gz GQXXLUXMUNAIFB-QGZVFWFLSA-N 2 1 329.444 3.207 20 0 EGADMP COc1ccc([C@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)cc1OC ZINC000580208580 325218727 /nfs/dbraw/zinc/21/87/27/325218727.db2.gz GQXXLUXMUNAIFB-QGZVFWFLSA-N 2 1 329.444 3.207 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+][C@@H]4CCCOC4)[C@H]3C2)cc1 ZINC000580976061 325315822 /nfs/dbraw/zinc/31/58/22/325315822.db2.gz SHTOCPXCAFKTAL-JSXRDJHFSA-N 2 1 328.500 3.446 20 0 EGADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCCc3occc32)c2cccs2)CC1 ZINC000581409368 325358370 /nfs/dbraw/zinc/35/83/70/325358370.db2.gz YMQHKOWNKIURML-DLBZAZTESA-N 2 1 345.512 3.297 20 0 EGADMP CC[C@@]1(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CCC[NH2+]1 ZINC000581827337 325391926 /nfs/dbraw/zinc/39/19/26/325391926.db2.gz NAFLGTNFVGEVBQ-PXNSSMCTSA-N 2 1 335.536 3.022 20 0 EGADMP CCOc1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)ccc1OC(F)F ZINC000322721825 456649780 /nfs/dbraw/zinc/64/97/80/456649780.db2.gz QYFJGFDOFGWENC-CQSZACIVSA-N 2 1 330.419 3.492 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000356650863 457102818 /nfs/dbraw/zinc/10/28/18/457102818.db2.gz RNPDOTZZJWPYTI-WMLDXEAASA-N 2 1 339.911 3.179 20 0 EGADMP C[C@H]1C[NH+](CCCCC[N@@H+]2C[C@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000354276499 457167654 /nfs/dbraw/zinc/16/76/54/457167654.db2.gz BXUOPISJMPFUJP-IRXDYDNUSA-N 2 1 326.525 3.155 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CCCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000183184965 455246679 /nfs/dbraw/zinc/24/66/79/455246679.db2.gz MBNDSAQRRRFOBJ-QUCCMNQESA-N 2 1 326.488 3.258 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CCCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000183184965 455246682 /nfs/dbraw/zinc/24/66/82/455246682.db2.gz MBNDSAQRRRFOBJ-QUCCMNQESA-N 2 1 326.488 3.258 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)CCCn2ccnc2)CC[NH+]1Cc1ccccc1 ZINC000183184965 455246686 /nfs/dbraw/zinc/24/66/86/455246686.db2.gz MBNDSAQRRRFOBJ-QUCCMNQESA-N 2 1 326.488 3.258 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCn2ccnc2)CC[NH+]1Cc1ccccc1 ZINC000183184965 455246688 /nfs/dbraw/zinc/24/66/88/455246688.db2.gz MBNDSAQRRRFOBJ-QUCCMNQESA-N 2 1 326.488 3.258 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000483119300 459341962 /nfs/dbraw/zinc/34/19/62/459341962.db2.gz LVKZAWLBLQAICC-CZUORRHYSA-N 2 1 337.305 3.411 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000180925026 455265387 /nfs/dbraw/zinc/26/53/87/455265387.db2.gz OYXOHSQZDSPGFA-KRWDZBQOSA-N 2 1 344.455 3.398 20 0 EGADMP COc1cccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)co2)c1 ZINC000631828542 460574964 /nfs/dbraw/zinc/57/49/64/460574964.db2.gz RLEGQQYMXMHNHV-FMKPAKJESA-N 2 1 329.444 3.155 20 0 EGADMP COc1cccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)co2)c1 ZINC000631828542 460574972 /nfs/dbraw/zinc/57/49/72/460574972.db2.gz RLEGQQYMXMHNHV-FMKPAKJESA-N 2 1 329.444 3.155 20 0 EGADMP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631846346 460578632 /nfs/dbraw/zinc/57/86/32/460578632.db2.gz XUSQWMCPEZOOGB-MFKMUULPSA-N 2 1 340.258 3.052 20 0 EGADMP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631846346 460578638 /nfs/dbraw/zinc/57/86/38/460578638.db2.gz XUSQWMCPEZOOGB-MFKMUULPSA-N 2 1 340.258 3.052 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(CC[NH+]4CCCCC4)CC[C@@H]32)cc1 ZINC000159046597 455348199 /nfs/dbraw/zinc/34/81/99/455348199.db2.gz PAHVZLWWVMTYNO-YADHBBJMSA-N 2 1 341.543 3.459 20 0 EGADMP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000159137023 455354761 /nfs/dbraw/zinc/35/47/61/455354761.db2.gz IMTIETYFXFUOMN-PMACEKPBSA-N 2 1 343.515 3.019 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000040622515 453953051 /nfs/dbraw/zinc/95/30/51/453953051.db2.gz XTXOODXZQGVHJU-GFCCVEGCSA-N 2 1 329.257 3.408 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000040622515 453953055 /nfs/dbraw/zinc/95/30/55/453953055.db2.gz XTXOODXZQGVHJU-GFCCVEGCSA-N 2 1 329.257 3.408 20 0 EGADMP CCC1(CC)[C@@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C[C@@H]1OC ZINC000181863078 455391239 /nfs/dbraw/zinc/39/12/39/455391239.db2.gz UMWPASKJDXFLTH-ROUUACIJSA-N 2 1 346.519 3.246 20 0 EGADMP CC(C)C[C@@H]1CCCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000077364544 454097595 /nfs/dbraw/zinc/09/75/95/454097595.db2.gz NHJHYEACCHUFDX-IBGZPJMESA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(Br)cc2)[C@H](C)C1 ZINC000089516667 454157902 /nfs/dbraw/zinc/15/79/02/454157902.db2.gz JHVNJVSIITXSMN-CZUORRHYSA-N 2 1 341.293 3.148 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000089552077 454161647 /nfs/dbraw/zinc/16/16/47/454161647.db2.gz IZQURMMKYTYKMZ-HIFRSBDPSA-N 2 1 330.394 3.404 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000089555982 454162517 /nfs/dbraw/zinc/16/25/17/454162517.db2.gz FVNKEJNMRBTLAD-WWGRRREGSA-N 2 1 348.878 3.251 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)[C@H](C)C1 ZINC000119421685 454193940 /nfs/dbraw/zinc/19/39/40/454193940.db2.gz BXTQKENODYITMZ-LBTNJELSSA-N 2 1 339.886 3.378 20 0 EGADMP Cc1nccn1CCC[N@H+](C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000130938029 454226920 /nfs/dbraw/zinc/22/69/20/454226920.db2.gz RARUSMZRPXQRND-UHFFFAOYSA-N 2 1 346.519 3.083 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000130938029 454226923 /nfs/dbraw/zinc/22/69/23/454226923.db2.gz RARUSMZRPXQRND-UHFFFAOYSA-N 2 1 346.519 3.083 20 0 EGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc2ccccc2n1 ZINC000095967682 454242264 /nfs/dbraw/zinc/24/22/64/454242264.db2.gz GMOWSVJXBNKACF-QGZVFWFLSA-N 2 1 340.515 3.159 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000072038085 454267334 /nfs/dbraw/zinc/26/73/34/454267334.db2.gz SOZGKUFAIKWFLF-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072038085 454267337 /nfs/dbraw/zinc/26/73/37/454267337.db2.gz SOZGKUFAIKWFLF-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072038085 454267341 /nfs/dbraw/zinc/26/73/41/454267341.db2.gz SOZGKUFAIKWFLF-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000090522485 454316192 /nfs/dbraw/zinc/31/61/92/454316192.db2.gz IUWAJEPYHYGNIJ-BKTGTZMESA-N 2 1 338.442 3.383 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(F)cc(F)c1 ZINC000090525658 454316472 /nfs/dbraw/zinc/31/64/72/454316472.db2.gz HAWGRVQPTMLNHJ-BKTGTZMESA-N 2 1 338.442 3.383 20 0 EGADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC1CC[NH+](Cc2ccccn2)CC1 ZINC000090666989 454334332 /nfs/dbraw/zinc/33/43/32/454334332.db2.gz ZMZHYOIPKVNBBF-OAQYLSRUSA-N 2 1 344.547 3.146 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC1CC[NH+](Cc2ccccn2)CC1 ZINC000090666989 454334339 /nfs/dbraw/zinc/33/43/39/454334339.db2.gz ZMZHYOIPKVNBBF-OAQYLSRUSA-N 2 1 344.547 3.146 20 0 EGADMP CCOCCC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000090723053 454337784 /nfs/dbraw/zinc/33/77/84/454337784.db2.gz MTMDQQCSBYJRPA-UHFFFAOYSA-N 2 1 330.516 3.490 20 0 EGADMP FC(F)(F)COCc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090716005 454338000 /nfs/dbraw/zinc/33/80/00/454338000.db2.gz KBMAPMXTAQZUSM-IAGOWNOFSA-N 2 1 342.405 3.482 20 0 EGADMP CC[NH+](CC)[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)CC(C)C ZINC000132911771 454377443 /nfs/dbraw/zinc/37/74/43/454377443.db2.gz AEMAVAHJYBCDPL-MRXNPFEDSA-N 2 1 337.474 3.359 20 0 EGADMP CC(C)CNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000079303771 454394838 /nfs/dbraw/zinc/39/48/38/454394838.db2.gz QFBNXRVRGUJYTN-ROUUACIJSA-N 2 1 345.531 3.311 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000121185392 454403219 /nfs/dbraw/zinc/40/32/19/454403219.db2.gz BCMOFEIBCFUWJV-CTNGQTDRSA-N 2 1 346.515 3.408 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000121185392 454403224 /nfs/dbraw/zinc/40/32/24/454403224.db2.gz BCMOFEIBCFUWJV-CTNGQTDRSA-N 2 1 346.515 3.408 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000121185392 454403234 /nfs/dbraw/zinc/40/32/34/454403234.db2.gz BCMOFEIBCFUWJV-CTNGQTDRSA-N 2 1 346.515 3.408 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000121185392 454403241 /nfs/dbraw/zinc/40/32/41/454403241.db2.gz BCMOFEIBCFUWJV-CTNGQTDRSA-N 2 1 346.515 3.408 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000091285170 454422848 /nfs/dbraw/zinc/42/28/48/454422848.db2.gz HUZOXAWBVWSLLA-OAQYLSRUSA-N 2 1 329.532 3.453 20 0 EGADMP COCCOc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000121443139 454435686 /nfs/dbraw/zinc/43/56/86/454435686.db2.gz WSFHIWZWYHSTDA-HOTGVXAUSA-N 2 1 331.460 3.204 20 0 EGADMP c1coc(-c2noc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)n2)c1 ZINC000121656289 454462223 /nfs/dbraw/zinc/46/22/23/454462223.db2.gz OBJOVFDLOOYVAB-UHFFFAOYSA-N 2 1 344.459 3.418 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000098144371 454462463 /nfs/dbraw/zinc/46/24/63/454462463.db2.gz OYBKCCBZOYQBFS-YOEHRIQHSA-N 2 1 344.421 3.449 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000134080375 454501804 /nfs/dbraw/zinc/50/18/04/454501804.db2.gz FJOIWUJONCDQGR-HUUCEWRRSA-N 2 1 349.485 3.359 20 0 EGADMP COCCCOc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000092043698 454508542 /nfs/dbraw/zinc/50/85/42/454508542.db2.gz JHCRLOLHKKPRDM-ICSRJNTNSA-N 2 1 332.488 3.018 20 0 EGADMP COCCCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000092043698 454508548 /nfs/dbraw/zinc/50/85/48/454508548.db2.gz JHCRLOLHKKPRDM-ICSRJNTNSA-N 2 1 332.488 3.018 20 0 EGADMP COCCCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000092043698 454508552 /nfs/dbraw/zinc/50/85/52/454508552.db2.gz JHCRLOLHKKPRDM-ICSRJNTNSA-N 2 1 332.488 3.018 20 0 EGADMP CCCC[N@H+](C)CCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000134174437 454511647 /nfs/dbraw/zinc/51/16/47/454511647.db2.gz QMFGMOMANUWBQD-UHFFFAOYSA-N 2 1 346.563 3.039 20 0 EGADMP CCCC[N@@H+](C)CCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000134174437 454511650 /nfs/dbraw/zinc/51/16/50/454511650.db2.gz QMFGMOMANUWBQD-UHFFFAOYSA-N 2 1 346.563 3.039 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(OC)cc2)CC1 ZINC000074319653 454563350 /nfs/dbraw/zinc/56/33/50/454563350.db2.gz RUOMOVVFJGHTTK-UHFFFAOYSA-N 2 1 347.503 3.078 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(OC)cc2)CC1 ZINC000074319653 454563355 /nfs/dbraw/zinc/56/33/55/454563355.db2.gz RUOMOVVFJGHTTK-UHFFFAOYSA-N 2 1 347.503 3.078 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000122875302 454577624 /nfs/dbraw/zinc/57/76/24/454577624.db2.gz MZCGIXCOLKPICF-WBVHZDCISA-N 2 1 332.488 3.055 20 0 EGADMP CC[C@@H](C[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1)[NH+]1CCCC1 ZINC000123083687 454600682 /nfs/dbraw/zinc/60/06/82/454600682.db2.gz UTVXLKKJCFBBTN-HOTGVXAUSA-N 2 1 341.499 3.498 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)s1 ZINC000092738297 454620886 /nfs/dbraw/zinc/62/08/86/454620886.db2.gz ITGBSAVPUPXJEZ-AWEZNQCLSA-N 2 1 339.549 3.411 20 0 EGADMP COc1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)c2ccccc12 ZINC000093413028 454714139 /nfs/dbraw/zinc/71/41/39/454714139.db2.gz DHJOHHRLALTTKU-UHFFFAOYSA-N 2 1 342.483 3.127 20 0 EGADMP COc1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c2ccccc12 ZINC000093413028 454714142 /nfs/dbraw/zinc/71/41/42/454714142.db2.gz DHJOHHRLALTTKU-UHFFFAOYSA-N 2 1 342.483 3.127 20 0 EGADMP c1cnc(Oc2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2)cn1 ZINC000093604518 454724029 /nfs/dbraw/zinc/72/40/29/454724029.db2.gz OPDMKCSZJNQMAO-SFHVURJKSA-N 2 1 338.455 3.187 20 0 EGADMP c1cnc(Oc2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2)cn1 ZINC000093604518 454724031 /nfs/dbraw/zinc/72/40/31/454724031.db2.gz OPDMKCSZJNQMAO-SFHVURJKSA-N 2 1 338.455 3.187 20 0 EGADMP CCCCOc1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000136188835 454727715 /nfs/dbraw/zinc/72/77/15/454727715.db2.gz PSHUYBZZMIFMEC-FQEVSTJZSA-N 2 1 345.531 3.077 20 0 EGADMP COCCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683749 454729285 /nfs/dbraw/zinc/72/92/85/454729285.db2.gz NDKPEFZXFVDIGB-SFHVURJKSA-N 2 1 332.488 3.020 20 0 EGADMP COCCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683749 454729288 /nfs/dbraw/zinc/72/92/88/454729288.db2.gz NDKPEFZXFVDIGB-SFHVURJKSA-N 2 1 332.488 3.020 20 0 EGADMP COc1ccccc1[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000162258895 454763194 /nfs/dbraw/zinc/76/31/94/454763194.db2.gz SJOOHWHFRNAISM-OAHLLOKOSA-N 2 1 340.471 3.422 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2OCC)C1 ZINC000137738100 454784589 /nfs/dbraw/zinc/78/45/89/454784589.db2.gz MDYLPYGFQQIEPV-KRWDZBQOSA-N 2 1 347.503 3.078 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2OCC)C1 ZINC000137738100 454784591 /nfs/dbraw/zinc/78/45/91/454784591.db2.gz MDYLPYGFQQIEPV-KRWDZBQOSA-N 2 1 347.503 3.078 20 0 EGADMP CN(C(=O)c1cccc(Oc2ccncc2)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000153546902 454804984 /nfs/dbraw/zinc/80/49/84/454804984.db2.gz PRMGNJWUTBWHDR-MRXNPFEDSA-N 2 1 325.412 3.040 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccc4ccccc4c3)CC[C@@H]21 ZINC000140036577 454815369 /nfs/dbraw/zinc/81/53/69/454815369.db2.gz YQRGMEMJQVDGCM-QUCCMNQESA-N 2 1 337.467 3.194 20 0 EGADMP C[C@@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153677839 454820495 /nfs/dbraw/zinc/82/04/95/454820495.db2.gz XYFINRKVGOZZOZ-IEBWSBKVSA-N 2 1 345.531 3.295 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(C2CCCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153677839 454820498 /nfs/dbraw/zinc/82/04/98/454820498.db2.gz XYFINRKVGOZZOZ-IEBWSBKVSA-N 2 1 345.531 3.295 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000125443598 454822405 /nfs/dbraw/zinc/82/24/05/454822405.db2.gz FLLKUIUIVMYJNB-HXUWFJFHSA-N 2 1 327.472 3.417 20 0 EGADMP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC(F)F ZINC000153705531 454823103 /nfs/dbraw/zinc/82/31/03/454823103.db2.gz TTYPJQSYSLMEKZ-VNHYZAJKSA-N 2 1 342.430 3.157 20 0 EGADMP COCC[N@H+](C)CCC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000153754515 454829306 /nfs/dbraw/zinc/82/93/06/454829306.db2.gz DQLVCKRIFRRDRY-HNNXBMFYSA-N 2 1 328.909 3.435 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000153754515 454829309 /nfs/dbraw/zinc/82/93/09/454829309.db2.gz DQLVCKRIFRRDRY-HNNXBMFYSA-N 2 1 328.909 3.435 20 0 EGADMP C[NH+]1CCC([NH2+][C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC1 ZINC000177323705 454851978 /nfs/dbraw/zinc/85/19/78/454851978.db2.gz GDDPSIDXHSVOLL-KRWDZBQOSA-N 2 1 339.886 3.127 20 0 EGADMP CN(CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000125872924 454853501 /nfs/dbraw/zinc/85/35/01/454853501.db2.gz YQUSODZZHIJOHP-UHFFFAOYSA-N 2 1 337.511 3.420 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000164180725 454876538 /nfs/dbraw/zinc/87/65/38/454876538.db2.gz HHESCWFJXWIJLA-RXVVDRJESA-N 3 1 329.532 3.492 20 0 EGADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000164180725 454876542 /nfs/dbraw/zinc/87/65/42/454876542.db2.gz HHESCWFJXWIJLA-RXVVDRJESA-N 2 1 329.532 3.492 20 0 EGADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H](CCCc1ccccc1)c1ccccc1 ZINC000154251772 454878389 /nfs/dbraw/zinc/87/83/89/454878389.db2.gz AVXYCWMTLAPCEF-LEWJYISDSA-N 2 1 326.484 3.263 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000164690079 454887478 /nfs/dbraw/zinc/88/74/78/454887478.db2.gz NIONCJYBBGHBLB-MRXNPFEDSA-N 2 1 340.471 3.449 20 0 EGADMP C[C@H](C[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1)C[NH+]1CCCC1 ZINC000165324553 454898202 /nfs/dbraw/zinc/89/82/02/454898202.db2.gz HKDULYZXIDISGV-QZTJIDSGSA-N 2 1 326.488 3.314 20 0 EGADMP COc1cc2[nH]c(CCC[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2c(OC)c1 ZINC000166334755 454910228 /nfs/dbraw/zinc/91/02/28/454910228.db2.gz AKERXEOFJNSKQV-GJZGRUSLSA-N 2 1 345.487 3.190 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000177969142 454923811 /nfs/dbraw/zinc/92/38/11/454923811.db2.gz OCIXGJFOVCRRSQ-OPYAIIAOSA-N 2 1 329.532 3.012 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000151115485 454939844 /nfs/dbraw/zinc/93/98/44/454939844.db2.gz GLRWERFVGCBRLL-JKSUJKDBSA-N 2 1 331.460 3.026 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000191508921 455492391 /nfs/dbraw/zinc/49/23/91/455492391.db2.gz QODWYBGBEWXACM-QGZVFWFLSA-N 2 1 348.535 3.337 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000191508921 455492394 /nfs/dbraw/zinc/49/23/94/455492394.db2.gz QODWYBGBEWXACM-QGZVFWFLSA-N 2 1 348.535 3.337 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000114199297 454946631 /nfs/dbraw/zinc/94/66/31/454946631.db2.gz JUAABRCETXIGSR-KRWDZBQOSA-N 2 1 334.467 3.385 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000114199297 454946635 /nfs/dbraw/zinc/94/66/35/454946635.db2.gz JUAABRCETXIGSR-KRWDZBQOSA-N 2 1 334.467 3.385 20 0 EGADMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(OC(F)F)cc1 ZINC000151376389 454976457 /nfs/dbraw/zinc/97/64/57/454976457.db2.gz YZJOHASZRAEBNZ-KRWDZBQOSA-N 2 1 342.430 3.176 20 0 EGADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000178803733 454979344 /nfs/dbraw/zinc/97/93/44/454979344.db2.gz RDJIECCJJWODKD-DEOSSOPVSA-N 2 1 339.464 3.242 20 0 EGADMP CN(Cc1ccc(-n2ccnc2)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000178803733 454979347 /nfs/dbraw/zinc/97/93/47/454979347.db2.gz RDJIECCJJWODKD-DEOSSOPVSA-N 2 1 339.464 3.242 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000127943783 455011698 /nfs/dbraw/zinc/01/16/98/455011698.db2.gz GRVVUXSMDITDJV-APWZRJJASA-N 2 1 331.504 3.048 20 0 EGADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128280337 455041759 /nfs/dbraw/zinc/04/17/59/455041759.db2.gz XQSBLNVWQREZIS-OAHLLOKOSA-N 2 1 338.565 3.253 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000179399035 455044962 /nfs/dbraw/zinc/04/49/62/455044962.db2.gz HHNNELMFJBYOEB-SFHVURJKSA-N 2 1 340.471 3.322 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000179399035 455044965 /nfs/dbraw/zinc/04/49/65/455044965.db2.gz HHNNELMFJBYOEB-SFHVURJKSA-N 2 1 340.471 3.322 20 0 EGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)CCCO2 ZINC000128558691 455067798 /nfs/dbraw/zinc/06/77/98/455067798.db2.gz COZHEMVAMUAIDA-HXUWFJFHSA-N 2 1 345.531 3.134 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000129014700 455094273 /nfs/dbraw/zinc/09/42/73/455094273.db2.gz JMOSZNKAVUMZRV-ACBHZAAOSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1ccc2c(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)cc(=O)oc2c1C ZINC000152424510 455117186 /nfs/dbraw/zinc/11/71/86/455117186.db2.gz FVGUBJASVLMEAV-INIZCTEOSA-N 2 1 328.456 3.183 20 0 EGADMP Cc1ccc2c(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)cc(=O)oc2c1C ZINC000152424510 455117189 /nfs/dbraw/zinc/11/71/89/455117189.db2.gz FVGUBJASVLMEAV-INIZCTEOSA-N 2 1 328.456 3.183 20 0 EGADMP Cc1ccc2c(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)cc(=O)oc2c1C ZINC000152424510 455117193 /nfs/dbraw/zinc/11/71/93/455117193.db2.gz FVGUBJASVLMEAV-INIZCTEOSA-N 2 1 328.456 3.183 20 0 EGADMP Cc1ccc2c(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)cc(=O)oc2c1C ZINC000152424510 455117198 /nfs/dbraw/zinc/11/71/98/455117198.db2.gz FVGUBJASVLMEAV-INIZCTEOSA-N 2 1 328.456 3.183 20 0 EGADMP CC(C)[NH2+]C1CC[NH+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000118968391 455117759 /nfs/dbraw/zinc/11/77/59/455117759.db2.gz BEMWSZNJCWINLJ-QGZVFWFLSA-N 2 1 344.421 3.071 20 0 EGADMP COc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(SC)cc1OC ZINC000623656219 460663310 /nfs/dbraw/zinc/66/33/10/460663310.db2.gz PGHKXVWOBYKJQU-CQSZACIVSA-N 2 1 338.517 3.247 20 0 EGADMP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(SC)cc1OC ZINC000623656219 460663314 /nfs/dbraw/zinc/66/33/14/460663314.db2.gz PGHKXVWOBYKJQU-CQSZACIVSA-N 2 1 338.517 3.247 20 0 EGADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1OC(F)F ZINC000172432193 455153648 /nfs/dbraw/zinc/15/36/48/455153648.db2.gz WDDZZOIEVMTJSA-UHFFFAOYSA-N 2 1 328.403 3.070 20 0 EGADMP C[C@@H](CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237352159 455176319 /nfs/dbraw/zinc/17/63/19/455176319.db2.gz PFEPKJGABAJVCZ-AZUAARDMSA-N 2 1 349.563 3.127 20 0 EGADMP C[C@H]1C[C@@H](N(C)C(=O)CCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000237638693 455201442 /nfs/dbraw/zinc/20/14/42/455201442.db2.gz SXSSPFGMHXQAPL-ICSRJNTNSA-N 2 1 345.531 3.407 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C2([NH3+])CCCC2)C1 ZINC000237684794 455207388 /nfs/dbraw/zinc/20/73/88/455207388.db2.gz XOYRBTJHQNRQQY-CALCHBBNSA-N 2 1 343.515 3.052 20 0 EGADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000158233474 455282592 /nfs/dbraw/zinc/28/25/92/455282592.db2.gz AZTVGBZPRAEXEO-QWHCGFSZSA-N 2 1 326.868 3.350 20 0 EGADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000158233474 455282593 /nfs/dbraw/zinc/28/25/93/455282593.db2.gz AZTVGBZPRAEXEO-QWHCGFSZSA-N 2 1 326.868 3.350 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CCN([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000245500101 455315717 /nfs/dbraw/zinc/31/57/17/455315717.db2.gz ZMZRHSKDTLHVOS-CVEARBPZSA-N 2 1 328.460 3.380 20 0 EGADMP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159022842 455345516 /nfs/dbraw/zinc/34/55/16/455345516.db2.gz WVLCJDLJOSBIAG-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000265883618 455398414 /nfs/dbraw/zinc/39/84/14/455398414.db2.gz PCRJAXJGAHRYLN-CTNGQTDRSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000265883618 455398420 /nfs/dbraw/zinc/39/84/20/455398420.db2.gz PCRJAXJGAHRYLN-CTNGQTDRSA-N 2 1 349.478 3.141 20 0 EGADMP CCC1(CC)[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C[C@@H]1OC ZINC000181948035 455403073 /nfs/dbraw/zinc/40/30/73/455403073.db2.gz CAZFZDLQJAGQRU-ROUUACIJSA-N 2 1 338.536 3.205 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN([C@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000246289962 455464983 /nfs/dbraw/zinc/46/49/83/455464983.db2.gz XRYIHIUPTJLBJY-QFBILLFUSA-N 2 1 347.503 3.076 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c(C)c1 ZINC000266967314 455484766 /nfs/dbraw/zinc/48/47/66/455484766.db2.gz YTWHELGSHBJBJT-INIZCTEOSA-N 2 1 326.444 3.153 20 0 EGADMP Cc1cc(C)c(NC(=O)CN2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000266967314 455484769 /nfs/dbraw/zinc/48/47/69/455484769.db2.gz YTWHELGSHBJBJT-INIZCTEOSA-N 2 1 326.444 3.153 20 0 EGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000191514753 455493297 /nfs/dbraw/zinc/49/32/97/455493297.db2.gz FSBFLCQGVUWVKH-UHFFFAOYSA-N 2 1 328.460 3.316 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000191514753 455493301 /nfs/dbraw/zinc/49/33/01/455493301.db2.gz FSBFLCQGVUWVKH-UHFFFAOYSA-N 2 1 328.460 3.316 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000246566959 455508263 /nfs/dbraw/zinc/50/82/63/455508263.db2.gz XNNRJWZKCCMDFC-YIOZNXECSA-N 2 1 331.504 3.490 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000246566959 455508266 /nfs/dbraw/zinc/50/82/66/455508266.db2.gz XNNRJWZKCCMDFC-YIOZNXECSA-N 2 1 331.504 3.490 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246566949 455508628 /nfs/dbraw/zinc/50/86/28/455508628.db2.gz XNNRJWZKCCMDFC-WFXMFSGNSA-N 2 1 331.504 3.490 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000246566949 455508633 /nfs/dbraw/zinc/50/86/33/455508633.db2.gz XNNRJWZKCCMDFC-WFXMFSGNSA-N 2 1 331.504 3.490 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000185161716 455514219 /nfs/dbraw/zinc/51/42/19/455514219.db2.gz GBBJVYPOXWZNSS-UHFFFAOYSA-N 2 1 339.361 3.335 20 0 EGADMP CCCC[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000246967753 455539534 /nfs/dbraw/zinc/53/95/34/455539534.db2.gz JEBDHTDTLFRGHW-WIYYLYMNSA-N 2 1 329.532 3.361 20 0 EGADMP CCCC[NH+]1CCC([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000246967753 455539538 /nfs/dbraw/zinc/53/95/38/455539538.db2.gz JEBDHTDTLFRGHW-WIYYLYMNSA-N 2 1 329.532 3.361 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000247109312 455560603 /nfs/dbraw/zinc/56/06/03/455560603.db2.gz SXRAPJNJHKVVDK-IIYDPXPESA-N 2 1 337.895 3.295 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000292206741 455595691 /nfs/dbraw/zinc/59/56/91/455595691.db2.gz YOBDRYRIGOYLLC-XLIONFOSSA-N 2 1 343.515 3.067 20 0 EGADMP C[C@@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000185707058 455602425 /nfs/dbraw/zinc/60/24/25/455602425.db2.gz UYOPORWZIGBLDX-YQVWRLOYSA-N 2 1 343.515 3.106 20 0 EGADMP C[C@@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000185707058 455602427 /nfs/dbraw/zinc/60/24/27/455602427.db2.gz UYOPORWZIGBLDX-YQVWRLOYSA-N 2 1 343.515 3.106 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccccc1 ZINC000185736533 455609788 /nfs/dbraw/zinc/60/97/88/455609788.db2.gz GNDSWRNADNYRCI-ULQDDVLXSA-N 2 1 329.488 3.256 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccccc1 ZINC000185736533 455609790 /nfs/dbraw/zinc/60/97/90/455609790.db2.gz GNDSWRNADNYRCI-ULQDDVLXSA-N 2 1 329.488 3.256 20 0 EGADMP C[C@H]([NH2+]Cc1cc(F)cc2c1OCOC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185746180 455613014 /nfs/dbraw/zinc/61/30/14/455613014.db2.gz JMBNYXPKWRQXNM-GJZGRUSLSA-N 2 1 348.462 3.435 20 0 EGADMP C[C@H]([NH2+]Cc1cc(F)cc2c1OCOC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185746180 455613019 /nfs/dbraw/zinc/61/30/19/455613019.db2.gz JMBNYXPKWRQXNM-GJZGRUSLSA-N 2 1 348.462 3.435 20 0 EGADMP C[C@H](C1CC1)N(C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1CC1 ZINC000185764109 455618273 /nfs/dbraw/zinc/61/82/73/455618273.db2.gz FHWPUVQOXOIPLT-LZLYRXPVSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H](C1CC1)N(C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CC1 ZINC000185764109 455618279 /nfs/dbraw/zinc/61/82/79/455618279.db2.gz FHWPUVQOXOIPLT-LZLYRXPVSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000271425995 455632535 /nfs/dbraw/zinc/63/25/35/455632535.db2.gz BHPQTPHIOWZFAZ-QRQLOZEOSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000271425995 455632539 /nfs/dbraw/zinc/63/25/39/455632539.db2.gz BHPQTPHIOWZFAZ-QRQLOZEOSA-N 2 1 343.515 3.029 20 0 EGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000271482886 455653845 /nfs/dbraw/zinc/65/38/45/455653845.db2.gz JDXOWGWYJYADGT-SNRMKQJTSA-N 2 1 332.488 3.032 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccncc3)cs2)[C@@H](C)C1 ZINC000271563704 455685159 /nfs/dbraw/zinc/68/51/59/455685159.db2.gz YEECFEHULNNHDF-HOCLYGCPSA-N 2 1 330.501 3.068 20 0 EGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CCCO2 ZINC000248177160 455693996 /nfs/dbraw/zinc/69/39/96/455693996.db2.gz VTIWFDBATKTFJH-AZUAARDMSA-N 2 1 346.515 3.344 20 0 EGADMP CCOc1ccc(C[N@@H+](CCCn2ccnc2)CCC(C)(C)O)cc1 ZINC000271618300 455701853 /nfs/dbraw/zinc/70/18/53/455701853.db2.gz DJNKOESFPZCCFI-UHFFFAOYSA-N 2 1 345.487 3.335 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2COC3(CCCC3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000271663428 455716867 /nfs/dbraw/zinc/71/68/67/455716867.db2.gz HNNCVTVNCXULET-RLLQIKCJSA-N 2 1 344.499 3.315 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2COC3(CCCC3)O2)CC[N@H+]1Cc1ccccc1 ZINC000271663428 455716873 /nfs/dbraw/zinc/71/68/73/455716873.db2.gz HNNCVTVNCXULET-RLLQIKCJSA-N 2 1 344.499 3.315 20 0 EGADMP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+](CC)CC)c1nccn1C ZINC000271681978 455720516 /nfs/dbraw/zinc/72/05/16/455720516.db2.gz ISHLHRJFMIJFDC-SFHVURJKSA-N 2 1 344.503 3.382 20 0 EGADMP CC[C@H]([NH2+]Cc1ccc(OCC[NH+](CC)CC)cc1)c1nccn1C ZINC000271681809 455721007 /nfs/dbraw/zinc/72/10/07/455721007.db2.gz IPZLCWXQDVOMDZ-IBGZPJMESA-N 2 1 344.503 3.382 20 0 EGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000292653832 455722856 /nfs/dbraw/zinc/72/28/56/455722856.db2.gz ICJOPKKTMMLTPQ-INIZCTEOSA-N 2 1 333.476 3.416 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCN(C)CC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000268914736 455728490 /nfs/dbraw/zinc/72/84/90/455728490.db2.gz NMFQZPGFKKQMCQ-WBVHZDCISA-N 2 1 343.437 3.123 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCN(C)CC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000268914736 455728493 /nfs/dbraw/zinc/72/84/93/455728493.db2.gz NMFQZPGFKKQMCQ-WBVHZDCISA-N 2 1 343.437 3.123 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@]2([NH+](C)C)CCSC2)CC[N@H+]1Cc1ccccc1 ZINC000268983919 455752989 /nfs/dbraw/zinc/75/29/89/455752989.db2.gz PRZANEUUQHZIKS-YZGWKJHDSA-N 2 1 347.572 3.066 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(N(C)C)CCSC2)CC[N@H+]1Cc1ccccc1 ZINC000268983919 455753001 /nfs/dbraw/zinc/75/30/01/455753001.db2.gz PRZANEUUQHZIKS-YZGWKJHDSA-N 2 1 347.572 3.066 20 0 EGADMP c1cc2c(cc1[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1)OCCO2 ZINC000193458423 455760093 /nfs/dbraw/zinc/76/00/93/455760093.db2.gz BEBBIFHHLKWNBF-GOSISDBHSA-N 2 1 330.472 3.471 20 0 EGADMP c1cc2c(cc1[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1)OCCO2 ZINC000193458423 455760096 /nfs/dbraw/zinc/76/00/96/455760096.db2.gz BEBBIFHHLKWNBF-GOSISDBHSA-N 2 1 330.472 3.471 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271791276 455761519 /nfs/dbraw/zinc/76/15/19/455761519.db2.gz GPANROAITXCWGU-UHFFFAOYSA-N 2 1 348.853 3.325 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271791276 455761522 /nfs/dbraw/zinc/76/15/22/455761522.db2.gz GPANROAITXCWGU-UHFFFAOYSA-N 2 1 348.853 3.325 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269029167 455768166 /nfs/dbraw/zinc/76/81/66/455768166.db2.gz RLXXZFSBMQWZSQ-DYESRHJHSA-N 2 1 327.516 3.113 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000269155667 455799928 /nfs/dbraw/zinc/79/99/28/455799928.db2.gz RORBCSYOJBFZBP-UHFFFAOYSA-N 2 1 331.370 3.040 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C[C@H]3CCSC3)cc2)C[C@H](C)O1 ZINC000278299304 455810225 /nfs/dbraw/zinc/81/02/25/455810225.db2.gz CKXZIKSDIBZGJD-JTDSTZFVSA-N 2 1 334.529 3.139 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc2nccn21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272209587 455878375 /nfs/dbraw/zinc/87/83/75/455878375.db2.gz PYTVYUIQSNHJOH-IEBWSBKVSA-N 2 1 334.467 3.335 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)c2nccn2C)cc1 ZINC000620595162 460698953 /nfs/dbraw/zinc/69/89/53/460698953.db2.gz JGJNCPAUECLIHC-HNNXBMFYSA-N 2 1 328.460 3.143 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000285786667 455916303 /nfs/dbraw/zinc/91/63/03/455916303.db2.gz UKLQZSJLPKXSTO-QZTJIDSGSA-N 2 1 341.503 3.430 20 0 EGADMP c1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000261728985 455936028 /nfs/dbraw/zinc/93/60/28/455936028.db2.gz RNQZSCPWDAYBMS-BQJUDKOJSA-N 2 1 327.516 3.334 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)Cn1cc[nH+]c1C(C)C)c1ccccc1 ZINC000635189087 460702173 /nfs/dbraw/zinc/70/21/73/460702173.db2.gz OWEGSOGTEAVRGS-GOSISDBHSA-N 2 1 342.487 3.206 20 0 EGADMP C[C@]1(C[NH3+])CC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000261774255 455945068 /nfs/dbraw/zinc/94/50/68/455945068.db2.gz MMLKDZDXBGUOEH-OAQYLSRUSA-N 2 1 337.467 3.353 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000261882456 455964476 /nfs/dbraw/zinc/96/44/76/455964476.db2.gz ZHUATWRCSHDFSZ-LSTHTHJFSA-N 2 1 343.515 3.195 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Cl)c4c(c3)OCCCO4)C[C@@H]21 ZINC000261897131 455966813 /nfs/dbraw/zinc/96/68/13/455966813.db2.gz OKNBIDLZULRXSO-OFQRWUPVSA-N 2 1 336.863 3.061 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)c4c(c3)OCCCO4)C[C@@H]21 ZINC000261897131 455966818 /nfs/dbraw/zinc/96/68/18/455966818.db2.gz OKNBIDLZULRXSO-OFQRWUPVSA-N 2 1 336.863 3.061 20 0 EGADMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000261954084 455977668 /nfs/dbraw/zinc/97/76/68/455977668.db2.gz OKIBWGYEIXRGOS-GOSISDBHSA-N 2 1 336.483 3.004 20 0 EGADMP C[C@H](CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000272555426 455993245 /nfs/dbraw/zinc/99/32/45/455993245.db2.gz FXRMBFOWRJCLSP-SFHLNBCPSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000272555426 455993251 /nfs/dbraw/zinc/99/32/51/455993251.db2.gz FXRMBFOWRJCLSP-SFHLNBCPSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000272555426 455993255 /nfs/dbraw/zinc/99/32/55/455993255.db2.gz FXRMBFOWRJCLSP-SFHLNBCPSA-N 3 1 329.532 3.219 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000270658414 456007536 /nfs/dbraw/zinc/00/75/36/456007536.db2.gz QCVQHXKVVHRPDW-LJQANCHMSA-N 2 1 339.439 3.410 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000270658414 456007540 /nfs/dbraw/zinc/00/75/40/456007540.db2.gz QCVQHXKVVHRPDW-LJQANCHMSA-N 2 1 339.439 3.410 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000270682002 456013842 /nfs/dbraw/zinc/01/38/42/456013842.db2.gz UVOFEFIZKCMIOP-RBUKOAKNSA-N 2 1 331.435 3.309 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000270682002 456013848 /nfs/dbraw/zinc/01/38/48/456013848.db2.gz UVOFEFIZKCMIOP-RBUKOAKNSA-N 2 1 331.435 3.309 20 0 EGADMP FC(F)(F)COCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280648907 456023079 /nfs/dbraw/zinc/02/30/79/456023079.db2.gz ZYVFHIINGILGHR-CALCHBBNSA-N 2 1 342.405 3.019 20 0 EGADMP FC(F)(F)COCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280648907 456023081 /nfs/dbraw/zinc/02/30/81/456023081.db2.gz ZYVFHIINGILGHR-CALCHBBNSA-N 2 1 342.405 3.019 20 0 EGADMP FC(F)(F)COCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280648907 456023087 /nfs/dbraw/zinc/02/30/87/456023087.db2.gz ZYVFHIINGILGHR-CALCHBBNSA-N 2 1 342.405 3.019 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)cc2)C1 ZINC000262374953 456029479 /nfs/dbraw/zinc/02/94/79/456029479.db2.gz KORIAUQAQHDMIU-RYRKJORJSA-N 2 1 329.488 3.245 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000272670626 456033871 /nfs/dbraw/zinc/03/38/71/456033871.db2.gz KJTUVIGVVPRSRQ-FDFHNCONSA-N 3 1 339.527 3.139 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000272670626 456033876 /nfs/dbraw/zinc/03/38/76/456033876.db2.gz KJTUVIGVVPRSRQ-FDFHNCONSA-N 3 1 339.527 3.139 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000272670626 456033880 /nfs/dbraw/zinc/03/38/80/456033880.db2.gz KJTUVIGVVPRSRQ-FDFHNCONSA-N 3 1 339.527 3.139 20 0 EGADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000272719531 456051252 /nfs/dbraw/zinc/05/12/52/456051252.db2.gz DWMGUZDVRUZVKV-CEXWTWQISA-N 2 1 348.462 3.007 20 0 EGADMP C[C@@H]([NH2+]CCCOC1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272847196 456088892 /nfs/dbraw/zinc/08/88/92/456088892.db2.gz SFRPQAWMCCBQMX-UYAOXDASSA-N 2 1 346.515 3.072 20 0 EGADMP C[C@H]([NH2+]CCCOC1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272847190 456089504 /nfs/dbraw/zinc/08/95/04/456089504.db2.gz SFRPQAWMCCBQMX-AZUAARDMSA-N 2 1 346.515 3.072 20 0 EGADMP CSC1(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000272863817 456094467 /nfs/dbraw/zinc/09/44/67/456094467.db2.gz VGSRDMVTBQUMMH-MJGOQNOKSA-N 2 1 348.556 3.399 20 0 EGADMP CSC1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000272863814 456095169 /nfs/dbraw/zinc/09/51/69/456095169.db2.gz VGSRDMVTBQUMMH-HKUYNNGSSA-N 2 1 348.556 3.399 20 0 EGADMP CCn1ccnc1[C@H]1CCCCN1C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000333008412 456147262 /nfs/dbraw/zinc/14/72/62/456147262.db2.gz SSNCSNSITJXELC-DLBZAZTESA-N 2 1 347.507 3.014 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000273024477 456149117 /nfs/dbraw/zinc/14/91/17/456149117.db2.gz XGNVHYSSAVGFOS-UTKZUKDTSA-N 2 1 340.442 3.169 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000237152064 456239432 /nfs/dbraw/zinc/23/94/32/456239432.db2.gz CXKFTDBQMYBFLE-UXHICEINSA-N 2 1 343.515 3.195 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cccnc3Cl)CC2)C[C@H](C)O1 ZINC000263920729 456265249 /nfs/dbraw/zinc/26/52/49/456265249.db2.gz UNCNALCCPDUHLG-GASCZTMLSA-N 2 1 337.895 3.056 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccnc3Cl)CC2)C[C@H](C)O1 ZINC000263920729 456265255 /nfs/dbraw/zinc/26/52/55/456265255.db2.gz UNCNALCCPDUHLG-GASCZTMLSA-N 2 1 337.895 3.056 20 0 EGADMP CSc1cc2c(cc1CN1CCC[C@@H]3C[N@@H+](C)CC[C@H]31)OCCO2 ZINC000290313748 456287198 /nfs/dbraw/zinc/28/71/98/456287198.db2.gz CJAUXBNOPHWQLP-GDBMZVCRSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[N@@H+]1CCC[C@@H]3C[NH+](C)CC[C@H]31)OCCO2 ZINC000290313748 456287206 /nfs/dbraw/zinc/28/72/06/456287206.db2.gz CJAUXBNOPHWQLP-GDBMZVCRSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[N@H+]1CCC[C@@H]3C[NH+](C)CC[C@H]31)OCCO2 ZINC000290313748 456287210 /nfs/dbraw/zinc/28/72/10/456287210.db2.gz CJAUXBNOPHWQLP-GDBMZVCRSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[NH+]1CCC[C@@H]3C[N@H+](C)CC[C@H]31)OCCO2 ZINC000290313748 456287217 /nfs/dbraw/zinc/28/72/17/456287217.db2.gz CJAUXBNOPHWQLP-GDBMZVCRSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[NH+]1CCC[C@@H]3C[N@@H+](C)CC[C@H]31)OCCO2 ZINC000290313748 456287223 /nfs/dbraw/zinc/28/72/23/456287223.db2.gz CJAUXBNOPHWQLP-GDBMZVCRSA-N 2 1 348.512 3.096 20 0 EGADMP Cc1nccn1CCC[N@H+](C)Cc1cn(C)nc1C1CCCCC1 ZINC000290324891 456292704 /nfs/dbraw/zinc/29/27/04/456292704.db2.gz DIPWZPOJUKGWFW-UHFFFAOYSA-N 2 1 329.492 3.495 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(C)nc1C1CCCCC1 ZINC000290324891 456292719 /nfs/dbraw/zinc/29/27/19/456292719.db2.gz DIPWZPOJUKGWFW-UHFFFAOYSA-N 2 1 329.492 3.495 20 0 EGADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340175014 456292756 /nfs/dbraw/zinc/29/27/56/456292756.db2.gz VCOCLOCBGVAKDA-UXHICEINSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340175014 456292763 /nfs/dbraw/zinc/29/27/63/456292763.db2.gz VCOCLOCBGVAKDA-UXHICEINSA-N 2 1 343.515 3.059 20 0 EGADMP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc(OC)c1O ZINC000290329946 456293898 /nfs/dbraw/zinc/29/38/98/456293898.db2.gz KGMJYMDHJUYHPZ-GOEBONIOSA-N 2 1 348.487 3.152 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(F)cccc1N1CCCC1 ZINC000290335399 456296118 /nfs/dbraw/zinc/29/61/18/456296118.db2.gz DZFMTLVIYKQBJK-UHFFFAOYSA-N 2 1 330.451 3.453 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(F)cccc1N1CCCC1 ZINC000290335399 456296122 /nfs/dbraw/zinc/29/61/22/456296122.db2.gz DZFMTLVIYKQBJK-UHFFFAOYSA-N 2 1 330.451 3.453 20 0 EGADMP C[N@H+]1CC[C@@H](NCC(=O)Nc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000340215891 456320679 /nfs/dbraw/zinc/32/06/79/456320679.db2.gz KYXGYJCWKRIKKF-MOPGFXCFSA-N 2 1 341.430 3.189 20 0 EGADMP CN1CC[C@@H]([NH2+]CC(=O)Nc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000340215891 456320682 /nfs/dbraw/zinc/32/06/82/456320682.db2.gz KYXGYJCWKRIKKF-MOPGFXCFSA-N 2 1 341.430 3.189 20 0 EGADMP CN(C)C(=O)C1(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCCC1 ZINC000340240221 456334204 /nfs/dbraw/zinc/33/42/04/456334204.db2.gz GYCVWNXQFGQTHE-OALUTQOASA-N 2 1 343.515 3.060 20 0 EGADMP CN(C)C(=O)C1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCCC1 ZINC000340240221 456334207 /nfs/dbraw/zinc/33/42/07/456334207.db2.gz GYCVWNXQFGQTHE-OALUTQOASA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@H](Nc1cc[nH+]c(C)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000302367473 456337999 /nfs/dbraw/zinc/33/79/99/456337999.db2.gz BFFJANBJPANWCQ-VQTJNVASSA-N 2 1 325.456 3.482 20 0 EGADMP CC[C@H](Nc1cc[nH+]c(C)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000302367473 456338007 /nfs/dbraw/zinc/33/80/07/456338007.db2.gz BFFJANBJPANWCQ-VQTJNVASSA-N 2 1 325.456 3.482 20 0 EGADMP O[C@]1(C[NH2+][C@@H]2CCCC23CCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000340260559 456346340 /nfs/dbraw/zinc/34/63/40/456346340.db2.gz SRQRKARGMMKOAC-CTNGQTDRSA-N 2 1 328.500 3.326 20 0 EGADMP O[C@]1(C[NH2+][C@@H]2CCCC23CCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000340260559 456346348 /nfs/dbraw/zinc/34/63/48/456346348.db2.gz SRQRKARGMMKOAC-CTNGQTDRSA-N 2 1 328.500 3.326 20 0 EGADMP C[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CC[N@@H+]1CC(C)(C)O ZINC000302521497 456353698 /nfs/dbraw/zinc/35/36/98/456353698.db2.gz XVURLLMHVINOOG-ZDUSSCGKSA-N 2 1 333.863 3.170 20 0 EGADMP C[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CC[N@H+]1CC(C)(C)O ZINC000302521497 456353702 /nfs/dbraw/zinc/35/37/02/456353702.db2.gz XVURLLMHVINOOG-ZDUSSCGKSA-N 2 1 333.863 3.170 20 0 EGADMP Cc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000343055551 456376663 /nfs/dbraw/zinc/37/66/63/456376663.db2.gz ADXXYEXYILQFJE-MSOLQXFVSA-N 2 1 345.874 3.414 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(c2ncnc(N)c2Cl)CC1 ZINC000302883709 456425655 /nfs/dbraw/zinc/42/56/55/456425655.db2.gz JSIOEXBGFRNMDS-CYBMUJFWSA-N 2 1 337.899 3.193 20 0 EGADMP COc1cccc2cc([C@H](C)[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)oc21 ZINC000282360018 456489349 /nfs/dbraw/zinc/48/93/49/456489349.db2.gz PRNKXTNEPPCDOT-HNNXBMFYSA-N 2 1 345.487 3.118 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1(c2ccccc2)CCCC1 ZINC000276505035 456501116 /nfs/dbraw/zinc/50/11/16/456501116.db2.gz YMBSZUYDTDAJIB-GOSISDBHSA-N 2 1 330.516 3.323 20 0 EGADMP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000291082689 456521927 /nfs/dbraw/zinc/52/19/27/456521927.db2.gz GRYDEECJAOMHKT-YOEHRIQHSA-N 2 1 342.405 3.157 20 0 EGADMP O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000291082689 456521934 /nfs/dbraw/zinc/52/19/34/456521934.db2.gz GRYDEECJAOMHKT-YOEHRIQHSA-N 2 1 342.405 3.157 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187928 456524561 /nfs/dbraw/zinc/52/45/61/456524561.db2.gz QJUKWVSUVJPKRZ-YADHBBJMSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000348187928 456524564 /nfs/dbraw/zinc/52/45/64/456524564.db2.gz QJUKWVSUVJPKRZ-YADHBBJMSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000348187928 456524569 /nfs/dbraw/zinc/52/45/69/456524569.db2.gz QJUKWVSUVJPKRZ-YADHBBJMSA-N 2 1 341.543 3.459 20 0 EGADMP CCc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC000307770144 456569893 /nfs/dbraw/zinc/56/98/93/456569893.db2.gz LUCJTNCYFPGWHX-HXUWFJFHSA-N 2 1 325.456 3.347 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1OCCCO1 ZINC000282622134 456571854 /nfs/dbraw/zinc/57/18/54/456571854.db2.gz ZZTWDMOCSDKQEX-GOSISDBHSA-N 2 1 332.488 3.030 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1OCCCO1 ZINC000282622134 456571860 /nfs/dbraw/zinc/57/18/60/456571860.db2.gz ZZTWDMOCSDKQEX-GOSISDBHSA-N 2 1 332.488 3.030 20 0 EGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(I)c1 ZINC000310169134 456580352 /nfs/dbraw/zinc/58/03/52/456580352.db2.gz OKQYNPXTPOSPSD-UHFFFAOYSA-N 2 1 346.256 3.111 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(I)c1 ZINC000310169134 456580356 /nfs/dbraw/zinc/58/03/56/456580356.db2.gz OKQYNPXTPOSPSD-UHFFFAOYSA-N 2 1 346.256 3.111 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000310868257 456584738 /nfs/dbraw/zinc/58/47/38/456584738.db2.gz YNECAMIORQELIC-YJBOKZPZSA-N 2 1 347.503 3.284 20 0 EGADMP CCCCOc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OC ZINC000340681041 456620522 /nfs/dbraw/zinc/62/05/22/456620522.db2.gz ZJTXHWPMCQLTGH-UHFFFAOYSA-N 2 1 332.488 3.450 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(=O)NC)c1 ZINC000348407877 456670699 /nfs/dbraw/zinc/67/06/99/456670699.db2.gz WXBSKZLVNNZGSA-OALUTQOASA-N 2 1 331.504 3.036 20 0 EGADMP C[C@H]([NH2+][C@H]1COc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000328215126 456711569 /nfs/dbraw/zinc/71/15/69/456711569.db2.gz JSFYFQYHGSHHAB-DZFGPLHGSA-N 2 1 336.479 3.490 20 0 EGADMP CCc1nnc([C@H](C)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000328655548 456729365 /nfs/dbraw/zinc/72/93/65/456729365.db2.gz MZRMHJZUYRYFBE-UONOGXRCSA-N 2 1 329.448 3.105 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)cc1 ZINC000299578338 456733475 /nfs/dbraw/zinc/73/34/75/456733475.db2.gz CGPAPSQBLKIFBP-VQTJNVASSA-N 2 1 343.515 3.275 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000299578338 456733482 /nfs/dbraw/zinc/73/34/82/456733482.db2.gz CGPAPSQBLKIFBP-VQTJNVASSA-N 2 1 343.515 3.275 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000299578338 456733488 /nfs/dbraw/zinc/73/34/88/456733488.db2.gz CGPAPSQBLKIFBP-VQTJNVASSA-N 2 1 343.515 3.275 20 0 EGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CS1 ZINC000277228876 456734319 /nfs/dbraw/zinc/73/43/19/456734319.db2.gz MCGUGQNBQCTQIS-FHWLQOOXSA-N 2 1 348.556 3.263 20 0 EGADMP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)ccc2o1 ZINC000277260498 456749897 /nfs/dbraw/zinc/74/98/97/456749897.db2.gz QUVCVFGWKQAVSN-INIZCTEOSA-N 2 1 330.428 3.136 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)ccc2o1 ZINC000277260498 456749904 /nfs/dbraw/zinc/74/99/04/456749904.db2.gz QUVCVFGWKQAVSN-INIZCTEOSA-N 2 1 330.428 3.136 20 0 EGADMP C[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343917247 456782262 /nfs/dbraw/zinc/78/22/62/456782262.db2.gz CUVSHJDVGYXPCN-QMMLZNLJSA-N 2 1 327.516 3.022 20 0 EGADMP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000338434427 456816837 /nfs/dbraw/zinc/81/68/37/456816837.db2.gz BMFRTFAFXQCDEW-MSOLQXFVSA-N 2 1 343.515 3.133 20 0 EGADMP CC[C@H](C[NH2+]Cc1ccc(C)cc1-c1ccnn1C)[NH+]1CCCC1 ZINC000338436336 456818719 /nfs/dbraw/zinc/81/87/19/456818719.db2.gz OCTHMNYDPXUJNP-GOSISDBHSA-N 2 1 326.488 3.360 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CO)CC(F)(F)F)CC1 ZINC000353646582 456826779 /nfs/dbraw/zinc/82/67/79/456826779.db2.gz QJYOKTRNWCGUEI-CGZBRXJRSA-N 2 1 344.421 3.333 20 0 EGADMP C[C@@H]1CCc2nc(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)sc2C1 ZINC000349199077 456911396 /nfs/dbraw/zinc/91/13/96/456911396.db2.gz XYWBMGVCGAIWLY-GDBMZVCRSA-N 2 1 333.545 3.432 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2cnn3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC000353882205 456948682 /nfs/dbraw/zinc/94/86/82/456948682.db2.gz QXURGVXGLOSBMJ-FXAWDEMLSA-N 2 1 334.467 3.477 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2cnn3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000353882205 456948688 /nfs/dbraw/zinc/94/86/88/456948688.db2.gz QXURGVXGLOSBMJ-FXAWDEMLSA-N 2 1 334.467 3.477 20 0 EGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cnn4ccccc34)CC2)C1 ZINC000353891862 456953707 /nfs/dbraw/zinc/95/37/07/456953707.db2.gz YNJKNRUJBYEIKK-APWZRJJASA-N 2 1 326.488 3.467 20 0 EGADMP CCC(CC)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000349412322 456964365 /nfs/dbraw/zinc/96/43/65/456964365.db2.gz BSLRKQMZXBZXAY-CALCHBBNSA-N 2 1 326.525 3.013 20 0 EGADMP CCC(CC)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000349412322 456964367 /nfs/dbraw/zinc/96/43/67/456964367.db2.gz BSLRKQMZXBZXAY-CALCHBBNSA-N 2 1 326.525 3.013 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000353971120 456984386 /nfs/dbraw/zinc/98/43/86/456984386.db2.gz IGELWSAVSVCKFM-MJGOQNOKSA-N 2 1 333.520 3.152 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000353971120 456984389 /nfs/dbraw/zinc/98/43/89/456984389.db2.gz IGELWSAVSVCKFM-MJGOQNOKSA-N 2 1 333.520 3.152 20 0 EGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000354025819 457016547 /nfs/dbraw/zinc/01/65/47/457016547.db2.gz JTOUBUACLUZWBM-UHFFFAOYSA-N 2 1 326.431 3.288 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccccc2OC(C)C)C1 ZINC000354098159 457060858 /nfs/dbraw/zinc/06/08/58/457060858.db2.gz VDZKQQABEARMGN-IBGZPJMESA-N 2 1 334.504 3.407 20 0 EGADMP CC[C@@H](C(=O)NCCC[NH+]1CCCC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000339358979 457067234 /nfs/dbraw/zinc/06/72/34/457067234.db2.gz BJWLHZCYSRRODM-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP CC[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000339358979 457067239 /nfs/dbraw/zinc/06/72/39/457067239.db2.gz BJWLHZCYSRRODM-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP CC[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000339358979 457067245 /nfs/dbraw/zinc/06/72/45/457067245.db2.gz BJWLHZCYSRRODM-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000346644923 457088041 /nfs/dbraw/zinc/08/80/41/457088041.db2.gz NORIKTMNNYADJH-HNAYVOBHSA-N 2 1 326.488 3.026 20 0 EGADMP CC(C)[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000354148098 457094538 /nfs/dbraw/zinc/09/45/38/457094538.db2.gz HHQCSZMTXWWMOA-FQEVSTJZSA-N 2 1 345.531 3.135 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000354164838 457102516 /nfs/dbraw/zinc/10/25/16/457102516.db2.gz CTSMRLPSNDJGLR-FQEVSTJZSA-N 2 1 340.471 3.003 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000354164838 457102522 /nfs/dbraw/zinc/10/25/22/457102522.db2.gz CTSMRLPSNDJGLR-FQEVSTJZSA-N 2 1 340.471 3.003 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000354164838 457102529 /nfs/dbraw/zinc/10/25/29/457102529.db2.gz CTSMRLPSNDJGLR-FQEVSTJZSA-N 2 1 340.471 3.003 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000354164838 457102532 /nfs/dbraw/zinc/10/25/32/457102532.db2.gz CTSMRLPSNDJGLR-FQEVSTJZSA-N 2 1 340.471 3.003 20 0 EGADMP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000356650863 457102811 /nfs/dbraw/zinc/10/28/11/457102811.db2.gz RNPDOTZZJWPYTI-WMLDXEAASA-N 2 1 339.911 3.179 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCc4cccnc4)cc3)C[C@H]21 ZINC000342091853 457103166 /nfs/dbraw/zinc/10/31/66/457103166.db2.gz CXRKVVKJGAACOX-HMXCVIKNSA-N 2 1 337.467 3.220 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCc4ccncc4)cc3)C[C@@H]21 ZINC000342098737 457107235 /nfs/dbraw/zinc/10/72/35/457107235.db2.gz ISANXRKMNHTERL-HLAWJBBLSA-N 2 1 337.467 3.220 20 0 EGADMP Cc1ccc(-c2noc([C@H](C)[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)n2)cc1F ZINC000342105273 457110990 /nfs/dbraw/zinc/11/09/90/457110990.db2.gz OFFOBGVZJYKIAA-QEWYBTABSA-N 2 1 344.434 3.304 20 0 EGADMP Cc1ccc(-c2noc([C@H](C)[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)n2)cc1F ZINC000342105273 457110991 /nfs/dbraw/zinc/11/09/91/457110991.db2.gz OFFOBGVZJYKIAA-QEWYBTABSA-N 2 1 344.434 3.304 20 0 EGADMP CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000339441833 457121855 /nfs/dbraw/zinc/12/18/55/457121855.db2.gz QMKBGKHDLMYYOF-FQEVSTJZSA-N 2 1 330.472 3.170 20 0 EGADMP CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000339441833 457121860 /nfs/dbraw/zinc/12/18/60/457121860.db2.gz QMKBGKHDLMYYOF-FQEVSTJZSA-N 2 1 330.472 3.170 20 0 EGADMP CC(C)OC(=O)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000339441833 457121866 /nfs/dbraw/zinc/12/18/66/457121866.db2.gz QMKBGKHDLMYYOF-FQEVSTJZSA-N 2 1 330.472 3.170 20 0 EGADMP CC(C)OC(=O)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000339441833 457121872 /nfs/dbraw/zinc/12/18/72/457121872.db2.gz QMKBGKHDLMYYOF-FQEVSTJZSA-N 2 1 330.472 3.170 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(OCC(F)(F)F)c3)C[C@@H]21 ZINC000342127336 457122598 /nfs/dbraw/zinc/12/25/98/457122598.db2.gz MEYXHOGHWWOHGR-CWRNSKLLSA-N 2 1 328.378 3.187 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2nc(-c3ccccc3)no2)C[C@@H]1C ZINC000354224084 457140695 /nfs/dbraw/zinc/14/06/95/457140695.db2.gz PYECDBHGZXBPCW-DOTOQJQBSA-N 2 1 328.460 3.084 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2nc(-c3ccccc3)no2)C[C@@H]1C ZINC000354224084 457140701 /nfs/dbraw/zinc/14/07/01/457140701.db2.gz PYECDBHGZXBPCW-DOTOQJQBSA-N 2 1 328.460 3.084 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2nc(-c3ccccc3)no2)C[C@@H]1C ZINC000354224084 457140707 /nfs/dbraw/zinc/14/07/07/457140707.db2.gz PYECDBHGZXBPCW-DOTOQJQBSA-N 2 1 328.460 3.084 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2nc(-c3ccccc3)no2)C[C@@H]1C ZINC000354224084 457140710 /nfs/dbraw/zinc/14/07/10/457140710.db2.gz PYECDBHGZXBPCW-DOTOQJQBSA-N 2 1 328.460 3.084 20 0 EGADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000359920457 457149180 /nfs/dbraw/zinc/14/91/80/457149180.db2.gz ZWJCMZULPVPDAV-OAHLLOKOSA-N 2 1 332.492 3.305 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC[N@@H+]1C ZINC000350050943 457156127 /nfs/dbraw/zinc/15/61/27/457156127.db2.gz SSAHEWQMSXVXIQ-DGCLKSJQSA-N 2 1 334.357 3.339 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC[N@H+]1C ZINC000350050943 457156130 /nfs/dbraw/zinc/15/61/30/457156130.db2.gz SSAHEWQMSXVXIQ-DGCLKSJQSA-N 2 1 334.357 3.339 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000360057797 457230515 /nfs/dbraw/zinc/23/05/15/457230515.db2.gz VVBZLBILMKUYMP-QGZVFWFLSA-N 2 1 327.472 3.368 20 0 EGADMP CCC[N@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)C1CC[NH2+]CC1 ZINC000347189351 457279811 /nfs/dbraw/zinc/27/98/11/457279811.db2.gz DFIYMENOVFKISS-UHFFFAOYSA-N 2 1 332.879 3.490 20 0 EGADMP CCC[N@@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)C1CC[NH2+]CC1 ZINC000347189351 457279815 /nfs/dbraw/zinc/27/98/15/457279815.db2.gz DFIYMENOVFKISS-UHFFFAOYSA-N 2 1 332.879 3.490 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000347203381 457286758 /nfs/dbraw/zinc/28/67/58/457286758.db2.gz PIPAJKKVMSIOED-IGOJGBNBSA-N 2 1 327.447 3.467 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000347203381 457286762 /nfs/dbraw/zinc/28/67/62/457286762.db2.gz PIPAJKKVMSIOED-IGOJGBNBSA-N 2 1 327.447 3.467 20 0 EGADMP O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000342457493 457314205 /nfs/dbraw/zinc/31/42/05/457314205.db2.gz IVDLGJXXVYJJQC-FQEVSTJZSA-N 2 1 343.515 3.033 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000351849192 457320464 /nfs/dbraw/zinc/32/04/64/457320464.db2.gz GELCKOBTQAVWPE-CVYDXHPNSA-N 2 1 339.483 3.075 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000351849192 457320469 /nfs/dbraw/zinc/32/04/69/457320469.db2.gz GELCKOBTQAVWPE-CVYDXHPNSA-N 2 1 339.483 3.075 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000340114886 457337247 /nfs/dbraw/zinc/33/72/47/457337247.db2.gz CAGGFQAWLMXWMX-UXHICEINSA-N 2 1 345.531 3.442 20 0 EGADMP c1[nH]nc2cc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)ccc12 ZINC000355341850 457360650 /nfs/dbraw/zinc/36/06/50/457360650.db2.gz YKAFICKKHMYFGI-BGYRXZFFSA-N 2 1 332.451 3.127 20 0 EGADMP c1[nH]nc2cc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)ccc12 ZINC000355341850 457360655 /nfs/dbraw/zinc/36/06/55/457360655.db2.gz YKAFICKKHMYFGI-BGYRXZFFSA-N 2 1 332.451 3.127 20 0 EGADMP c1[nH]nc2cc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc12 ZINC000355341850 457360657 /nfs/dbraw/zinc/36/06/57/457360657.db2.gz YKAFICKKHMYFGI-BGYRXZFFSA-N 2 1 332.451 3.127 20 0 EGADMP c1[nH]nc2cc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc12 ZINC000355341850 457360660 /nfs/dbraw/zinc/36/06/60/457360660.db2.gz YKAFICKKHMYFGI-BGYRXZFFSA-N 2 1 332.451 3.127 20 0 EGADMP COC(=O)C1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000385804551 457429755 /nfs/dbraw/zinc/42/97/55/457429755.db2.gz MKLKRKGJOLNOLW-XEVCZEQESA-N 2 1 344.499 3.220 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000352551408 457461365 /nfs/dbraw/zinc/46/13/65/457461365.db2.gz XMVFKFZAWPSWPR-OFLPRAFFSA-N 2 1 336.907 3.413 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NCc1ccccc1 ZINC000360959635 457466995 /nfs/dbraw/zinc/46/69/95/457466995.db2.gz XOFMFKSJQTVLGB-IHPCNDPISA-N 2 1 345.531 3.182 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347501397 457469377 /nfs/dbraw/zinc/46/93/77/457469377.db2.gz HTOVPWZDUVRFGH-QGZVFWFLSA-N 2 1 349.478 3.026 20 0 EGADMP CC(C)(C)OC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000393906083 457469711 /nfs/dbraw/zinc/46/97/11/457469711.db2.gz NLDIVPXROVWZIS-BACDZXNISA-N 2 1 337.508 3.039 20 0 EGADMP CC(C)(C)OC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000393906083 457469716 /nfs/dbraw/zinc/46/97/16/457469716.db2.gz NLDIVPXROVWZIS-BACDZXNISA-N 2 1 337.508 3.039 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)cc1)C(C)C ZINC000357384571 457485318 /nfs/dbraw/zinc/48/53/18/457485318.db2.gz FKXJMEFYQZSBBW-APWZRJJASA-N 2 1 331.504 3.129 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000425314977 457494201 /nfs/dbraw/zinc/49/42/01/457494201.db2.gz KBJNXOSWFXWHPJ-SJLPKXTDSA-N 2 1 342.487 3.168 20 0 EGADMP c1cn2c([nH+]1)CC[C@@H](c1nc(-c3cccc(C[NH+]4CCCC4)c3)no1)C2 ZINC000370021097 457506754 /nfs/dbraw/zinc/50/67/54/457506754.db2.gz PNTOBRJTQUAPSQ-QGZVFWFLSA-N 2 1 349.438 3.259 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+][C@@H]3C)cc2)C1 ZINC000342762713 457507141 /nfs/dbraw/zinc/50/71/41/457507141.db2.gz ZMGSXLZBHRNVTK-MDZRGWNJSA-N 2 1 329.488 3.245 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+][C@H]3C)cc2)C1 ZINC000342762707 457507393 /nfs/dbraw/zinc/50/73/93/457507393.db2.gz ZMGSXLZBHRNVTK-GJYPPUQNSA-N 2 1 329.488 3.245 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2cccc(Oc3ccncc3)c2)CC[N@H+]1C ZINC000357414283 457507729 /nfs/dbraw/zinc/50/77/29/457507729.db2.gz MKTMJWCVEZLBLI-ZBFHGGJFSA-N 2 1 325.412 3.086 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](n2ccnn2)C1 ZINC000425356623 457515221 /nfs/dbraw/zinc/51/52/21/457515221.db2.gz WTRCYUHWSJKTKA-LJQANCHMSA-N 2 1 341.503 3.073 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](n2ccnn2)C1 ZINC000425356623 457515228 /nfs/dbraw/zinc/51/52/28/457515228.db2.gz WTRCYUHWSJKTKA-LJQANCHMSA-N 2 1 341.503 3.073 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425356623 457515232 /nfs/dbraw/zinc/51/52/32/457515232.db2.gz WTRCYUHWSJKTKA-LJQANCHMSA-N 2 1 341.503 3.073 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425356623 457515236 /nfs/dbraw/zinc/51/52/36/457515236.db2.gz WTRCYUHWSJKTKA-LJQANCHMSA-N 2 1 341.503 3.073 20 0 EGADMP CC[C@@H](C)[C@H](C)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000347598009 457537807 /nfs/dbraw/zinc/53/78/07/457537807.db2.gz XFZASMBYMDGFDW-MJGOQNOKSA-N 2 1 345.531 3.054 20 0 EGADMP CC(C)CCn1cccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374255021 457547322 /nfs/dbraw/zinc/54/73/22/457547322.db2.gz OSAWKWANSXSOBO-YZGWKJHDSA-N 2 1 333.520 3.218 20 0 EGADMP CC(C)CCn1cccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374255021 457547326 /nfs/dbraw/zinc/54/73/26/457547326.db2.gz OSAWKWANSXSOBO-YZGWKJHDSA-N 2 1 333.520 3.218 20 0 EGADMP CO[C@H](C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C1CC1 ZINC000425483642 457572580 /nfs/dbraw/zinc/57/25/80/457572580.db2.gz RTGIFPZOYGHNHS-HXUWFJFHSA-N 2 1 328.500 3.400 20 0 EGADMP CC(C)Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000361162491 457622790 /nfs/dbraw/zinc/62/27/90/457622790.db2.gz CGSNNUPPDFWRCH-XLIONFOSSA-N 2 1 345.531 3.123 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@]2(C)CCCC[NH2+]2)cc1 ZINC000357787413 457690091 /nfs/dbraw/zinc/69/00/91/457690091.db2.gz HQIAJQJHHCOOCK-UTKZUKDTSA-N 2 1 343.515 3.209 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC000370654287 457691813 /nfs/dbraw/zinc/69/18/13/457691813.db2.gz XXOLHRPQAZDCIZ-GJYPPUQNSA-N 2 1 335.923 3.486 20 0 EGADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000361473367 457743674 /nfs/dbraw/zinc/74/36/74/457743674.db2.gz APVWVOBKEPTCRC-KSZLIROESA-N 2 1 337.552 3.122 20 0 EGADMP COc1cc(F)c([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000358080643 457772662 /nfs/dbraw/zinc/77/26/62/457772662.db2.gz GGZVDAFHYPZTKU-STQMWFEESA-N 2 1 335.423 3.335 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000358085704 457777890 /nfs/dbraw/zinc/77/78/90/457777890.db2.gz NUNRMYDDOSTYBM-UWVAXJGDSA-N 3 1 332.536 3.460 20 0 EGADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358111823 457791877 /nfs/dbraw/zinc/79/18/77/457791877.db2.gz NCWSTWYHLQVGLA-SQGPQFPESA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358111823 457791880 /nfs/dbraw/zinc/79/18/80/457791880.db2.gz NCWSTWYHLQVGLA-SQGPQFPESA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358111823 457791881 /nfs/dbraw/zinc/79/18/81/457791881.db2.gz NCWSTWYHLQVGLA-SQGPQFPESA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000426302032 457802856 /nfs/dbraw/zinc/80/28/56/457802856.db2.gz GVVJJLRXPHOKNX-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP CN(c1ccccc1)c1ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cn1 ZINC000366481093 457823024 /nfs/dbraw/zinc/82/30/24/457823024.db2.gz KHOUPNNJVJCKMV-OAQYLSRUSA-N 2 1 336.483 3.377 20 0 EGADMP COC[C@@H]1CCC[NH+](CC[C@@H](C)CC[N@@H+]2CCC[C@H](COC)C2)C1 ZINC000411261601 457844159 /nfs/dbraw/zinc/84/41/59/457844159.db2.gz ATGSNNRTVMMVMB-OWZKRDHZSA-N 2 1 340.552 3.120 20 0 EGADMP COC[C@@H]1CCC[N@@H+](CC[C@@H](C)CC[NH+]2CCC[C@H](COC)C2)C1 ZINC000411261601 457844164 /nfs/dbraw/zinc/84/41/64/457844164.db2.gz ATGSNNRTVMMVMB-OWZKRDHZSA-N 2 1 340.552 3.120 20 0 EGADMP COC[C@@H]1CCC[N@H+](CC[C@@H](C)CC[NH+]2CCC[C@H](COC)C2)C1 ZINC000411261601 457844172 /nfs/dbraw/zinc/84/41/72/457844172.db2.gz ATGSNNRTVMMVMB-OWZKRDHZSA-N 2 1 340.552 3.120 20 0 EGADMP OC1(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCC1 ZINC000411334801 457860136 /nfs/dbraw/zinc/86/01/36/457860136.db2.gz ZHIANYCGVVQREU-WOJBJXKFSA-N 2 1 328.500 3.278 20 0 EGADMP OC1(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000411334801 457860141 /nfs/dbraw/zinc/86/01/41/457860141.db2.gz ZHIANYCGVVQREU-WOJBJXKFSA-N 2 1 328.500 3.278 20 0 EGADMP OC1(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000411334801 457860144 /nfs/dbraw/zinc/86/01/44/457860144.db2.gz ZHIANYCGVVQREU-WOJBJXKFSA-N 2 1 328.500 3.278 20 0 EGADMP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2NC[C@]1(O)CC[N@H+](C)C1 ZINC000358254449 457891740 /nfs/dbraw/zinc/89/17/40/457891740.db2.gz PQLNSKFCPWVFNU-GHTZIAJQSA-N 2 1 346.515 3.162 20 0 EGADMP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]C[C@]1(O)CCN(C)C1 ZINC000358254449 457891748 /nfs/dbraw/zinc/89/17/48/457891748.db2.gz PQLNSKFCPWVFNU-GHTZIAJQSA-N 2 1 346.515 3.162 20 0 EGADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](CCCc2ccccc2)c2ccccc2)C1 ZINC000358263628 457896743 /nfs/dbraw/zinc/89/67/43/457896743.db2.gz XYGQRLIHXPONLA-FGZHOGPDSA-N 2 1 338.495 3.407 20 0 EGADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](CCCc2ccccc2)c2ccccc2)C1 ZINC000358263628 457896750 /nfs/dbraw/zinc/89/67/50/457896750.db2.gz XYGQRLIHXPONLA-FGZHOGPDSA-N 2 1 338.495 3.407 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358264091 457897041 /nfs/dbraw/zinc/89/70/41/457897041.db2.gz YIANJVZYGUYDEQ-HZPDHXFCSA-N 2 1 330.394 3.059 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358264091 457897050 /nfs/dbraw/zinc/89/70/50/457897050.db2.gz YIANJVZYGUYDEQ-HZPDHXFCSA-N 2 1 330.394 3.059 20 0 EGADMP CCCCCNC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000411525520 457910520 /nfs/dbraw/zinc/91/05/20/457910520.db2.gz CEKSEWRQYZWPDQ-QZTJIDSGSA-N 2 1 345.531 3.039 20 0 EGADMP O[C@@]1(C[NH2+][C@H]2CCc3cc(F)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000361893047 457936908 /nfs/dbraw/zinc/93/69/08/457936908.db2.gz WZVUFIMPFNLFQB-LEWJYISDSA-N 2 1 340.442 3.040 20 0 EGADMP O[C@@]1(C[NH2+][C@H]2CCc3cc(F)ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000361893047 457936911 /nfs/dbraw/zinc/93/69/11/457936911.db2.gz WZVUFIMPFNLFQB-LEWJYISDSA-N 2 1 340.442 3.040 20 0 EGADMP C[C@@H]1OCC[C@@]12C[N@H+](Cc1cccc(C[NH+]3CCCCC3)c1)CCO2 ZINC000411656484 457940562 /nfs/dbraw/zinc/94/05/62/457940562.db2.gz BLBVGIKPZJKKMR-GHTZIAJQSA-N 2 1 344.499 3.052 20 0 EGADMP C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)CCO2 ZINC000411656484 457940569 /nfs/dbraw/zinc/94/05/69/457940569.db2.gz BLBVGIKPZJKKMR-GHTZIAJQSA-N 2 1 344.499 3.052 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC1 ZINC000427161098 457951645 /nfs/dbraw/zinc/95/16/45/457951645.db2.gz DXBVILNJRCLLMH-YLJYHZDGSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000427161098 457951647 /nfs/dbraw/zinc/95/16/47/457951647.db2.gz DXBVILNJRCLLMH-YLJYHZDGSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000427161098 457951664 /nfs/dbraw/zinc/95/16/64/457951664.db2.gz DXBVILNJRCLLMH-YLJYHZDGSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCc1csc(CCc2ccccc2)n1 ZINC000361929751 457962159 /nfs/dbraw/zinc/96/21/59/457962159.db2.gz ZOMLJKFGPHBNHI-MAUKXSAKSA-N 2 1 329.513 3.358 20 0 EGADMP CON1CCC([N@@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411819788 457985395 /nfs/dbraw/zinc/98/53/95/457985395.db2.gz QMZQYKTXANBRTH-UHFFFAOYSA-N 2 1 331.504 3.130 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503893 458043916 /nfs/dbraw/zinc/04/39/16/458043916.db2.gz HHGOKGGVZASROA-AWEZNQCLSA-N 2 1 335.879 3.051 20 0 EGADMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3sccc3Cl)CC2)CC1 ZINC000375748619 458047304 /nfs/dbraw/zinc/04/73/04/458047304.db2.gz IPUPOBQJLOLAEU-UHFFFAOYSA-N 2 1 341.952 3.392 20 0 EGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435368769 458120985 /nfs/dbraw/zinc/12/09/85/458120985.db2.gz IZJHFIULTVKFKK-CQSZACIVSA-N 2 1 338.377 3.062 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc(C)c1OCc1ccccn1 ZINC000435372824 458122419 /nfs/dbraw/zinc/12/24/19/458122419.db2.gz SRPAAGUJPNXAFP-HKUYNNGSSA-N 2 1 339.483 3.447 20 0 EGADMP CC[C@@H]1C[C@H](C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000435371339 458122483 /nfs/dbraw/zinc/12/24/83/458122483.db2.gz MDNMSAVWPARXRE-MISYRCLQSA-N 2 1 331.504 3.231 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000435371571 458123386 /nfs/dbraw/zinc/12/33/86/458123386.db2.gz NOXIIDGECJVHMZ-KEYYUXOJSA-N 2 1 338.879 3.067 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000435371571 458123391 /nfs/dbraw/zinc/12/33/91/458123391.db2.gz NOXIIDGECJVHMZ-KEYYUXOJSA-N 2 1 338.879 3.067 20 0 EGADMP C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@H]1[NH3+] ZINC000435373319 458124941 /nfs/dbraw/zinc/12/49/41/458124941.db2.gz DMUAYJXRDIKOMP-MAUKXSAKSA-N 2 1 326.488 3.339 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@H]1[NH3+] ZINC000435373319 458124949 /nfs/dbraw/zinc/12/49/49/458124949.db2.gz DMUAYJXRDIKOMP-MAUKXSAKSA-N 2 1 326.488 3.339 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OCC(F)(F)F ZINC000435377614 458127177 /nfs/dbraw/zinc/12/71/77/458127177.db2.gz DLWZFWSYGBMQDO-OCCSQVGLSA-N 2 1 346.393 3.196 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OCC(F)(F)F ZINC000435377614 458127181 /nfs/dbraw/zinc/12/71/81/458127181.db2.gz DLWZFWSYGBMQDO-OCCSQVGLSA-N 2 1 346.393 3.196 20 0 EGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000435382077 458129837 /nfs/dbraw/zinc/12/98/37/458129837.db2.gz XLTYVSSWMJUDAD-OAHLLOKOSA-N 2 1 343.858 3.373 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000435383933 458130487 /nfs/dbraw/zinc/13/04/87/458130487.db2.gz KCNDYUFOQRKHKI-SFHVURJKSA-N 2 1 328.431 3.446 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000435383933 458130494 /nfs/dbraw/zinc/13/04/94/458130494.db2.gz KCNDYUFOQRKHKI-SFHVURJKSA-N 2 1 328.431 3.446 20 0 EGADMP COc1c(Br)cccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000435382520 458131192 /nfs/dbraw/zinc/13/11/92/458131192.db2.gz DNQLKQSYAXCMRB-LNSITVRQSA-N 2 1 339.277 3.017 20 0 EGADMP COc1c(Br)cccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000435382520 458131198 /nfs/dbraw/zinc/13/11/98/458131198.db2.gz DNQLKQSYAXCMRB-LNSITVRQSA-N 2 1 339.277 3.017 20 0 EGADMP CCn1ccnc1C[N@H+](Cc1ccccc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435420629 458141231 /nfs/dbraw/zinc/14/12/31/458141231.db2.gz DIXHWIJLMOEGIB-IBGZPJMESA-N 2 1 338.499 3.356 20 0 EGADMP CCn1ccnc1C[N@@H+](Cc1ccccc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435420629 458141237 /nfs/dbraw/zinc/14/12/37/458141237.db2.gz DIXHWIJLMOEGIB-IBGZPJMESA-N 2 1 338.499 3.356 20 0 EGADMP C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435439988 458147741 /nfs/dbraw/zinc/14/77/41/458147741.db2.gz YIPFNPHYSGUVFW-LJQANCHMSA-N 2 1 325.456 3.235 20 0 EGADMP COc1sc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1Br ZINC000435440142 458148659 /nfs/dbraw/zinc/14/86/59/458148659.db2.gz ZSAHPJRCDBQMLJ-JTQLQIEISA-N 2 1 333.295 3.093 20 0 EGADMP COc1sc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1Br ZINC000435440142 458148664 /nfs/dbraw/zinc/14/86/64/458148664.db2.gz ZSAHPJRCDBQMLJ-JTQLQIEISA-N 2 1 333.295 3.093 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1CNc1cccc(C)n1 ZINC000362403136 458157044 /nfs/dbraw/zinc/15/70/44/458157044.db2.gz TVWHSACOUIBNBO-GOSISDBHSA-N 2 1 327.476 3.252 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1CNc1cccc(C)n1 ZINC000362403136 458157050 /nfs/dbraw/zinc/15/70/50/458157050.db2.gz TVWHSACOUIBNBO-GOSISDBHSA-N 2 1 327.476 3.252 20 0 EGADMP CC(C)(C)C(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000435741026 458194912 /nfs/dbraw/zinc/19/49/12/458194912.db2.gz NFOKWWMEZUECBT-IBGZPJMESA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)cc1)C(C)C ZINC000358758216 458197393 /nfs/dbraw/zinc/19/73/93/458197393.db2.gz PDVMBWATMAWHIC-IAGOWNOFSA-N 2 1 331.504 3.082 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000435892059 458219357 /nfs/dbraw/zinc/21/93/57/458219357.db2.gz IXDXIBMVVHPMIK-YRISNDGFSA-N 2 1 341.499 3.389 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000429055795 458268030 /nfs/dbraw/zinc/26/80/30/458268030.db2.gz OIYGMDQDINWPIG-UHFFFAOYSA-N 2 1 337.895 3.475 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436283310 458283307 /nfs/dbraw/zinc/28/33/07/458283307.db2.gz JIYMPPOQQOBTKP-UHFFFAOYSA-N 2 1 333.451 3.286 20 0 EGADMP CC(C)[C@H]1C[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2ccccc21 ZINC000447561281 458311031 /nfs/dbraw/zinc/31/10/31/458311031.db2.gz HHUSSULXCXMOKE-RTWAWAEBSA-N 2 1 329.532 3.488 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCSCc1ccccc1 ZINC000376490011 458316546 /nfs/dbraw/zinc/31/65/46/458316546.db2.gz FWPFTAKVEALRBI-AABGKKOBSA-N 2 1 348.556 3.493 20 0 EGADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000447900370 458364397 /nfs/dbraw/zinc/36/43/97/458364397.db2.gz BQRKJTJTMNCTPT-HXUWFJFHSA-N 2 1 329.532 3.361 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000373027706 458379600 /nfs/dbraw/zinc/37/96/00/458379600.db2.gz WBJIRWTWFXENKV-OWCLPIDISA-N 2 1 346.471 3.359 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000373027706 458379604 /nfs/dbraw/zinc/37/96/04/458379604.db2.gz WBJIRWTWFXENKV-OWCLPIDISA-N 2 1 346.471 3.359 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)[C@@H]1SC ZINC000459469950 458382690 /nfs/dbraw/zinc/38/26/90/458382690.db2.gz TVGAOQSBJOTMJQ-KSIDHJATSA-N 2 1 326.550 3.138 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CC3(CC3)C(=O)O2)CCN1Cc1ccccc1 ZINC000373037464 458382696 /nfs/dbraw/zinc/38/26/96/458382696.db2.gz WSAFMXFISXFSQI-BHIYHBOVSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@H](N(C)C[C@H]2CC3(CC3)C(=O)O2)CC[N@@H+]1Cc1ccccc1 ZINC000373037464 458382700 /nfs/dbraw/zinc/38/27/00/458382700.db2.gz WSAFMXFISXFSQI-BHIYHBOVSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@H](N(C)C[C@H]2CC3(CC3)C(=O)O2)CC[N@H+]1Cc1ccccc1 ZINC000373037464 458382705 /nfs/dbraw/zinc/38/27/05/458382705.db2.gz WSAFMXFISXFSQI-BHIYHBOVSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CC3(CC3)C(=O)O2)CC[N@@H+]1Cc1ccccc1 ZINC000373037464 458382707 /nfs/dbraw/zinc/38/27/07/458382707.db2.gz WSAFMXFISXFSQI-BHIYHBOVSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CC3(CC3)C(=O)O2)CC[N@H+]1Cc1ccccc1 ZINC000373037464 458382710 /nfs/dbraw/zinc/38/27/10/458382710.db2.gz WSAFMXFISXFSQI-BHIYHBOVSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CC3(CC3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000373037464 458382713 /nfs/dbraw/zinc/38/27/13/458382713.db2.gz WSAFMXFISXFSQI-BHIYHBOVSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CC3(CC3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000373037464 458382717 /nfs/dbraw/zinc/38/27/17/458382717.db2.gz WSAFMXFISXFSQI-BHIYHBOVSA-N 2 1 342.483 3.067 20 0 EGADMP CC(C)c1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000448073589 458386718 /nfs/dbraw/zinc/38/67/18/458386718.db2.gz DIXJIBGPSPZYTK-CRAIPNDOSA-N 2 1 343.519 3.119 20 0 EGADMP CC(C)c1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000448073589 458386720 /nfs/dbraw/zinc/38/67/20/458386720.db2.gz DIXJIBGPSPZYTK-CRAIPNDOSA-N 2 1 343.519 3.119 20 0 EGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423511160 458447580 /nfs/dbraw/zinc/44/75/80/458447580.db2.gz NLWLAFAPPGYYHZ-CBNMVNINSA-N 2 1 329.532 3.060 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCC3=CC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000423546580 458456397 /nfs/dbraw/zinc/45/63/97/458456397.db2.gz ZDEDSJDUCHIRKO-BHDDXSALSA-N 3 1 339.527 3.329 20 0 EGADMP c1ccc(CN2CC[C@@H]([NH2+]CCC3=CC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000423546580 458456401 /nfs/dbraw/zinc/45/64/01/458456401.db2.gz ZDEDSJDUCHIRKO-BHDDXSALSA-N 2 1 339.527 3.329 20 0 EGADMP C[C@](C[NH3+])([NH2+]CCC(=O)Nc1ccccc1-c1ccccc1)C1CC1 ZINC000430573040 458463907 /nfs/dbraw/zinc/46/39/07/458463907.db2.gz QMRZUGKQCUDYTN-OAQYLSRUSA-N 2 1 337.467 3.399 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000459745831 458465841 /nfs/dbraw/zinc/46/58/41/458465841.db2.gz YLBMRFWGQBMRFF-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP C[C@](C[NH3+])([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)C1CC1 ZINC000430590441 458468234 /nfs/dbraw/zinc/46/82/34/458468234.db2.gz KXWQRNYVBPPRPA-OAHLLOKOSA-N 2 1 330.259 3.039 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430617770 458471436 /nfs/dbraw/zinc/47/14/36/458471436.db2.gz OWAOEYXPPPBFNY-BBWFWOEESA-N 2 1 339.483 3.076 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430617770 458471438 /nfs/dbraw/zinc/47/14/38/458471438.db2.gz OWAOEYXPPPBFNY-BBWFWOEESA-N 2 1 339.483 3.076 20 0 EGADMP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@@H+](CC)C[C@H]1C)Cc1ccccc1 ZINC000468776353 458535927 /nfs/dbraw/zinc/53/59/27/458535927.db2.gz AYRNXYDXONLYIQ-NRSPTQNISA-N 2 1 331.548 3.259 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CC[C@@H]4CCOC4)CC[C@@H]32)cc1 ZINC000438120845 458537163 /nfs/dbraw/zinc/53/71/63/458537163.db2.gz XJMDLCRETNZEFD-NJYVYQBISA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CC[C@@H]4CCOC4)CC[C@@H]32)cc1 ZINC000438120845 458537167 /nfs/dbraw/zinc/53/71/67/458537167.db2.gz XJMDLCRETNZEFD-NJYVYQBISA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CC[C@@H]4CCOC4)CC[C@@H]32)cc1 ZINC000438120845 458537171 /nfs/dbraw/zinc/53/71/71/458537171.db2.gz XJMDLCRETNZEFD-NJYVYQBISA-N 2 1 328.500 3.400 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000377833670 458544736 /nfs/dbraw/zinc/54/47/36/458544736.db2.gz FNSPLBKXHJYHDA-HLAWJBBLSA-N 2 1 344.499 3.161 20 0 EGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000377833670 458544744 /nfs/dbraw/zinc/54/47/44/458544744.db2.gz FNSPLBKXHJYHDA-HLAWJBBLSA-N 2 1 344.499 3.161 20 0 EGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000377833670 458544750 /nfs/dbraw/zinc/54/47/50/458544750.db2.gz FNSPLBKXHJYHDA-HLAWJBBLSA-N 2 1 344.499 3.161 20 0 EGADMP Cc1[nH+]ccn1CCCCNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424143493 458569368 /nfs/dbraw/zinc/56/93/68/458569368.db2.gz JWVOVJIJELUJGV-SFHVURJKSA-N 2 1 334.508 3.166 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@@H]([NH3+])CC2CCCCC2)[C@@H](C)C1 ZINC000424143913 458570381 /nfs/dbraw/zinc/57/03/81/458570381.db2.gz KDLHRRRJQDBANH-UHOSZYNNSA-N 2 1 337.552 3.253 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000431551264 458587532 /nfs/dbraw/zinc/58/75/32/458587532.db2.gz AWFJCSDBVLEYOM-ZWKOTPCHSA-N 2 1 348.535 3.413 20 0 EGADMP COC(=O)CC1CC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000424269168 458599052 /nfs/dbraw/zinc/59/90/52/458599052.db2.gz OULIKPCPQZGJFG-VXESANQCSA-N 2 1 344.499 3.350 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1csc(-c3ccccn3)n1)CC[NH2+]CC2 ZINC000424297400 458607784 /nfs/dbraw/zinc/60/77/84/458607784.db2.gz SNWCZGSQOVSXQM-AWEZNQCLSA-N 2 1 328.485 3.169 20 0 EGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431746527 458617285 /nfs/dbraw/zinc/61/72/85/458617285.db2.gz UVPXRJRFYUALGN-ZIFCJYIRSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431746527 458617291 /nfs/dbraw/zinc/61/72/91/458617291.db2.gz UVPXRJRFYUALGN-ZIFCJYIRSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431746527 458617296 /nfs/dbraw/zinc/61/72/96/458617296.db2.gz UVPXRJRFYUALGN-ZIFCJYIRSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000431773144 458621413 /nfs/dbraw/zinc/62/14/13/458621413.db2.gz AHFDVSYRUYRBDJ-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CCOc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OCC ZINC000424374598 458628217 /nfs/dbraw/zinc/62/82/17/458628217.db2.gz IHJHIMKWXSWOBH-MRXNPFEDSA-N 2 1 332.488 3.448 20 0 EGADMP COc1ccc(F)cc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000462796800 458654770 /nfs/dbraw/zinc/65/47/70/458654770.db2.gz XFAGXHIGDJMUAH-GOSISDBHSA-N 2 1 342.458 3.489 20 0 EGADMP COc1ccc(F)cc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000462796800 458654774 /nfs/dbraw/zinc/65/47/74/458654774.db2.gz XFAGXHIGDJMUAH-GOSISDBHSA-N 2 1 342.458 3.489 20 0 EGADMP CCCc1csc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000494356949 458664282 /nfs/dbraw/zinc/66/42/82/458664282.db2.gz HALXBHGNVKKRDM-UHFFFAOYSA-N 2 1 333.501 3.326 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCc4ccc5c(c4)CCO5)C[C@H]3C2)cc1 ZINC000471028007 458676284 /nfs/dbraw/zinc/67/62/84/458676284.db2.gz KHBORBNEMVZYKU-SZPZYZBQSA-N 2 1 348.490 3.228 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CCc4ccc5c(c4)CCO5)C[C@H]3C2)cc1 ZINC000471028007 458676291 /nfs/dbraw/zinc/67/62/91/458676291.db2.gz KHBORBNEMVZYKU-SZPZYZBQSA-N 2 1 348.490 3.228 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CCc4ccc5c(c4)CCO5)C[C@H]3C2)cc1 ZINC000471028007 458676298 /nfs/dbraw/zinc/67/62/98/458676298.db2.gz KHBORBNEMVZYKU-SZPZYZBQSA-N 2 1 348.490 3.228 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)c1cccs1 ZINC000547430289 458739386 /nfs/dbraw/zinc/73/93/86/458739386.db2.gz TZRPBIDLBOSGHA-MRXNPFEDSA-N 2 1 337.533 3.122 20 0 EGADMP CCN(CCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)CC(F)(F)F ZINC000547786435 458792876 /nfs/dbraw/zinc/79/28/76/458792876.db2.gz HABHWDMAHXUDCN-UHFFFAOYSA-N 2 1 337.474 3.313 20 0 EGADMP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1Cl ZINC000495088739 458798514 /nfs/dbraw/zinc/79/85/14/458798514.db2.gz MRHUYWCRESHKRT-ILXRZTDVSA-N 2 1 337.870 3.274 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000457134096 458878969 /nfs/dbraw/zinc/87/89/69/458878969.db2.gz VTCONVAXFISGIQ-IBGZPJMESA-N 2 1 331.504 3.083 20 0 EGADMP CN(CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000495600840 458893600 /nfs/dbraw/zinc/89/36/00/458893600.db2.gz ICVMZVNZIHQOPB-MSOLQXFVSA-N 2 1 347.503 3.278 20 0 EGADMP CN(CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000495600840 458893601 /nfs/dbraw/zinc/89/36/01/458893601.db2.gz ICVMZVNZIHQOPB-MSOLQXFVSA-N 2 1 347.503 3.278 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000474882048 458904156 /nfs/dbraw/zinc/90/41/56/458904156.db2.gz XUGAZSUCALAYJO-MJGOQNOKSA-N 2 1 346.515 3.466 20 0 EGADMP Cc1cc2cc(C[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)oc2cc1C ZINC000441325194 458919414 /nfs/dbraw/zinc/91/94/14/458919414.db2.gz BTKFKVUZOXOERI-UHFFFAOYSA-N 2 1 329.488 3.165 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)C[C@H]1c1ccccc1 ZINC000556053588 458924832 /nfs/dbraw/zinc/92/48/32/458924832.db2.gz VUHWYRXKGGFLNY-MOPGFXCFSA-N 2 1 338.451 3.383 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)C[C@H]1c1ccccc1 ZINC000556053588 458924837 /nfs/dbraw/zinc/92/48/37/458924837.db2.gz VUHWYRXKGGFLNY-MOPGFXCFSA-N 2 1 338.451 3.383 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3COc4ccccc4C3)C2)cc1 ZINC000556075661 458925904 /nfs/dbraw/zinc/92/59/04/458925904.db2.gz BVGTXNZEVJOSIC-CTNGQTDRSA-N 2 1 336.479 3.144 20 0 EGADMP CCOc1ccccc1C[N@@H+]1CCN(CC[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000441365657 458927577 /nfs/dbraw/zinc/92/75/77/458927577.db2.gz LLNRVEPXGVHRAA-AZUAARDMSA-N 2 1 345.531 3.076 20 0 EGADMP CCOc1ccccc1C[N@H+]1CCN(CC[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000441365657 458927583 /nfs/dbraw/zinc/92/75/83/458927583.db2.gz LLNRVEPXGVHRAA-AZUAARDMSA-N 2 1 345.531 3.076 20 0 EGADMP CCOc1ccccc1C[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000441365657 458927589 /nfs/dbraw/zinc/92/75/89/458927589.db2.gz LLNRVEPXGVHRAA-AZUAARDMSA-N 2 1 345.531 3.076 20 0 EGADMP CCOc1ccccc1C[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000441365657 458927593 /nfs/dbraw/zinc/92/75/93/458927593.db2.gz LLNRVEPXGVHRAA-AZUAARDMSA-N 2 1 345.531 3.076 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CC34CCCCC4)CC2)CC1 ZINC000566450435 458937897 /nfs/dbraw/zinc/93/78/97/458937897.db2.gz FQKLKUPJJPCEAK-IBGZPJMESA-N 2 1 347.547 3.022 20 0 EGADMP Cc1nc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[nH]c1C ZINC000566496589 458947646 /nfs/dbraw/zinc/94/76/46/458947646.db2.gz JPXHJYFOVRMZJH-HNAYVOBHSA-N 2 1 326.488 3.417 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000467194110 458957425 /nfs/dbraw/zinc/95/74/25/458957425.db2.gz GHSDHOVOINRWEO-OALUTQOASA-N 2 1 338.536 3.301 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000519529871 458957515 /nfs/dbraw/zinc/95/75/15/458957515.db2.gz YHGCMLDZXHPUKI-RDJZCZTQSA-N 2 1 344.503 3.181 20 0 EGADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000531702688 458964439 /nfs/dbraw/zinc/96/44/39/458964439.db2.gz HQDGFGDTYKHVOQ-IERDGZPVSA-N 2 1 347.522 3.312 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495817423 458966251 /nfs/dbraw/zinc/96/62/51/458966251.db2.gz FWGLMOKHXRREKC-IKGGRYGDSA-N 2 1 341.540 3.388 20 0 EGADMP C[C@@H](C[C@H]1COCC[NH2+]1)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000566672719 458980815 /nfs/dbraw/zinc/98/08/15/458980815.db2.gz GZHNTTCLWQBBBH-ZFWWWQNUSA-N 2 1 330.476 3.050 20 0 EGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000495863816 458982541 /nfs/dbraw/zinc/98/25/41/458982541.db2.gz FTDFXIUFUMHRRP-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccs1 ZINC000531932621 459001862 /nfs/dbraw/zinc/00/18/62/459001862.db2.gz YUMMFCRWRIVLFO-HUUCEWRRSA-N 2 1 335.542 3.449 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000442918532 459059410 /nfs/dbraw/zinc/05/94/10/459059410.db2.gz HETXZYIQBUYZNI-CYBMUJFWSA-N 2 1 345.468 3.100 20 0 EGADMP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443064786 459081573 /nfs/dbraw/zinc/08/15/73/459081573.db2.gz YWSVGHUYFYXCMN-DZGCQCFKSA-N 2 1 348.878 3.436 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000443065668 459082190 /nfs/dbraw/zinc/08/21/90/459082190.db2.gz CLKCCNYTVGCOIW-FXAWDEMLSA-N 2 1 337.467 3.427 20 0 EGADMP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443069335 459082384 /nfs/dbraw/zinc/08/23/84/459082384.db2.gz JQEHIHQPEBCQRK-QWHCGFSZSA-N 2 1 343.393 3.093 20 0 EGADMP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443069332 459083077 /nfs/dbraw/zinc/08/30/77/459083077.db2.gz JQEHIHQPEBCQRK-CHWSQXEVSA-N 2 1 343.393 3.093 20 0 EGADMP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443069338 459083252 /nfs/dbraw/zinc/08/32/52/459083252.db2.gz JQEHIHQPEBCQRK-STQMWFEESA-N 2 1 343.393 3.093 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](CN)c1ccc3ccccc3c1)CO2 ZINC000577740071 459086174 /nfs/dbraw/zinc/08/61/74/459086174.db2.gz AUULPKGJVZGOMF-FPOVZHCZSA-N 2 1 348.446 3.442 20 0 EGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000532465068 459093049 /nfs/dbraw/zinc/09/30/49/459093049.db2.gz HGXGMWPWRMZYJJ-GJROSEKXSA-N 2 1 336.442 3.178 20 0 EGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000532465068 459093053 /nfs/dbraw/zinc/09/30/53/459093053.db2.gz HGXGMWPWRMZYJJ-GJROSEKXSA-N 2 1 336.442 3.178 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000567402178 459099889 /nfs/dbraw/zinc/09/98/89/459099889.db2.gz JTLFOTQJKCYQSF-UHFFFAOYSA-N 2 1 331.435 3.173 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000567402178 459099893 /nfs/dbraw/zinc/09/98/93/459099893.db2.gz JTLFOTQJKCYQSF-UHFFFAOYSA-N 2 1 331.435 3.173 20 0 EGADMP CC[C@@H]1CCC[C@@H]1CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000567406715 459102032 /nfs/dbraw/zinc/10/20/32/459102032.db2.gz PZQAYQBGSOUOCL-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000532525452 459106605 /nfs/dbraw/zinc/10/66/05/459106605.db2.gz XTMIADFUCIYPGX-ZNMIVQPWSA-N 2 1 337.895 3.438 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000532525452 459106613 /nfs/dbraw/zinc/10/66/13/459106613.db2.gz XTMIADFUCIYPGX-ZNMIVQPWSA-N 2 1 337.895 3.438 20 0 EGADMP CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)CC1 ZINC000577947529 459121155 /nfs/dbraw/zinc/12/11/55/459121155.db2.gz JVFBLMNAXGTELO-LJQANCHMSA-N 2 1 348.531 3.106 20 0 EGADMP Cc1cccc2c1cc[nH+]c2N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000578013358 459132181 /nfs/dbraw/zinc/13/21/81/459132181.db2.gz OKKQUWLXBNXEME-RTBURBONSA-N 2 1 325.456 3.266 20 0 EGADMP C[N@@H+](CCCC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000496288939 459136369 /nfs/dbraw/zinc/13/63/69/459136369.db2.gz CAJGLIBQNYUVBI-LJQANCHMSA-N 2 1 339.524 3.098 20 0 EGADMP COc1ccc(C[C@H](C)C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1F ZINC000578050460 459138492 /nfs/dbraw/zinc/13/84/92/459138492.db2.gz AWUILRFJUXBXSM-WDYCEAGBSA-N 2 1 334.479 3.429 20 0 EGADMP COc1ccc(C[C@H](C)C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1F ZINC000578050460 459138498 /nfs/dbraw/zinc/13/84/98/459138498.db2.gz AWUILRFJUXBXSM-WDYCEAGBSA-N 2 1 334.479 3.429 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C(=O)OC)c2ccccc2)CC1 ZINC000532919978 459159842 /nfs/dbraw/zinc/15/98/42/459159842.db2.gz AUVXCYYWZWDGSY-IBGZPJMESA-N 2 1 332.488 3.345 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C(=O)OC)c2ccccc2)CC1 ZINC000532919978 459159843 /nfs/dbraw/zinc/15/98/43/459159843.db2.gz AUVXCYYWZWDGSY-IBGZPJMESA-N 2 1 332.488 3.345 20 0 EGADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000578349622 459186553 /nfs/dbraw/zinc/18/65/53/459186553.db2.gz IRTDKDIUMXKCLY-XLIONFOSSA-N 2 1 348.531 3.145 20 0 EGADMP C[C@H]1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CN1C(=O)OC(C)(C)C ZINC000496478030 459207356 /nfs/dbraw/zinc/20/73/56/459207356.db2.gz XOWZGSBUEUWGFD-HOTGVXAUSA-N 2 1 339.524 3.238 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000590786703 459218694 /nfs/dbraw/zinc/21/86/94/459218694.db2.gz MWCQFQUDTFFNEB-UHFFFAOYSA-N 2 1 346.450 3.428 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000590786703 459218699 /nfs/dbraw/zinc/21/86/99/459218699.db2.gz MWCQFQUDTFFNEB-UHFFFAOYSA-N 2 1 346.450 3.428 20 0 EGADMP CCc1cccc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000590786648 459218781 /nfs/dbraw/zinc/21/87/81/459218781.db2.gz LAVVXWCUZSTIER-UHFFFAOYSA-N 2 1 331.504 3.240 20 0 EGADMP CCc1cccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000590786648 459218784 /nfs/dbraw/zinc/21/87/84/459218784.db2.gz LAVVXWCUZSTIER-UHFFFAOYSA-N 2 1 331.504 3.240 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000590786391 459220061 /nfs/dbraw/zinc/22/00/61/459220061.db2.gz BJQBSGUCUNSILA-UHFFFAOYSA-N 2 1 328.460 3.289 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000590786391 459220069 /nfs/dbraw/zinc/22/00/69/459220069.db2.gz BJQBSGUCUNSILA-UHFFFAOYSA-N 2 1 328.460 3.289 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000522208526 459227020 /nfs/dbraw/zinc/22/70/20/459227020.db2.gz WWKUTZKSDCVYEK-SFHVURJKSA-N 2 1 335.536 3.166 20 0 EGADMP COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000481164876 459235834 /nfs/dbraw/zinc/23/58/34/459235834.db2.gz AWBSGPOGXZPPBY-RLLQIKCJSA-N 2 1 345.531 3.152 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C3CCC3)C3CCC3)CC2)CC1 ZINC000568220222 459251532 /nfs/dbraw/zinc/25/15/32/459251532.db2.gz LHUNMSQBINBZKN-UHFFFAOYSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2nc(C)c(C)[nH]2)cc1 ZINC000568273450 459261097 /nfs/dbraw/zinc/26/10/97/459261097.db2.gz RWTXDIGZHGOFFM-UHFFFAOYSA-N 2 1 330.476 3.037 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+]Cc2c[nH]c3nccnc23)C[N@H+]1Cc1ccccc1 ZINC000568337489 459269510 /nfs/dbraw/zinc/26/95/10/459269510.db2.gz MNRSXOJRZAVGFF-AEFFLSMTSA-N 2 1 349.482 3.300 20 0 EGADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000533867164 459274360 /nfs/dbraw/zinc/27/43/60/459274360.db2.gz SPMWKDJPVAUITJ-MRXNPFEDSA-N 2 1 338.480 3.457 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@@H](O)Cc1ccccc1 ZINC000559789024 459277743 /nfs/dbraw/zinc/27/77/43/459277743.db2.gz MSCOKVCSBGMURY-UPZYVNNASA-N 2 1 338.495 3.404 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@@H](O)Cc1ccccc1 ZINC000559789024 459277747 /nfs/dbraw/zinc/27/77/47/459277747.db2.gz MSCOKVCSBGMURY-UPZYVNNASA-N 2 1 338.495 3.404 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC=C(C)CC3)cc2)CC1 ZINC000559893342 459283274 /nfs/dbraw/zinc/28/32/74/459283274.db2.gz ITTQLAIPJRWIBE-NRFANRHFSA-N 2 1 327.516 3.413 20 0 EGADMP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)ccn1 ZINC000559892070 459283401 /nfs/dbraw/zinc/28/34/01/459283401.db2.gz BMMZOIRBCNFHOW-MRXNPFEDSA-N 2 1 325.456 3.189 20 0 EGADMP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)ccn1 ZINC000559892070 459283406 /nfs/dbraw/zinc/28/34/06/459283406.db2.gz BMMZOIRBCNFHOW-MRXNPFEDSA-N 2 1 325.456 3.189 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496695879 459290700 /nfs/dbraw/zinc/29/07/00/459290700.db2.gz SFVHTYIZZVLJJP-QAETUUGQSA-N 2 1 339.524 3.237 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496695879 459290702 /nfs/dbraw/zinc/29/07/02/459290702.db2.gz SFVHTYIZZVLJJP-QAETUUGQSA-N 2 1 339.524 3.237 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NC1CCCCC1 ZINC000482135492 459291887 /nfs/dbraw/zinc/29/18/87/459291887.db2.gz ISNPQOCKTYFDSN-LNLFQRSKSA-N 2 1 337.552 3.314 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1C ZINC000482144547 459292569 /nfs/dbraw/zinc/29/25/69/459292569.db2.gz MHKNAMARBCSXLL-HKUYNNGSSA-N 2 1 331.504 3.424 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000482153334 459293058 /nfs/dbraw/zinc/29/30/58/459293058.db2.gz AUWMQWIQFYHGMN-ZFWWWQNUSA-N 2 1 346.441 3.429 20 0 EGADMP Cc1ccc(OC[C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000582117299 459310408 /nfs/dbraw/zinc/31/04/08/459310408.db2.gz LCULNXAZGULDJE-QUCCMNQESA-N 2 1 348.531 3.145 20 0 EGADMP CC(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000595504439 459327379 /nfs/dbraw/zinc/32/73/79/459327379.db2.gz JGRKFGMLNPKEJG-HXUWFJFHSA-N 2 1 330.472 3.170 20 0 EGADMP CC(C)OC(=O)c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000595504439 459327386 /nfs/dbraw/zinc/32/73/86/459327386.db2.gz JGRKFGMLNPKEJG-HXUWFJFHSA-N 2 1 330.472 3.170 20 0 EGADMP CC(C)OC(=O)c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000595504439 459327393 /nfs/dbraw/zinc/32/73/93/459327393.db2.gz JGRKFGMLNPKEJG-HXUWFJFHSA-N 2 1 330.472 3.170 20 0 EGADMP CC(C)OC(=O)c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000595504439 459327396 /nfs/dbraw/zinc/32/73/96/459327396.db2.gz JGRKFGMLNPKEJG-HXUWFJFHSA-N 2 1 330.472 3.170 20 0 EGADMP Fc1ccc(-c2noc([C@H]3CCC[N@@H+](CC[C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000582537135 459381857 /nfs/dbraw/zinc/38/18/57/459381857.db2.gz PGBWSAJVAIMLLZ-HOCLYGCPSA-N 2 1 344.434 3.055 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000569101334 459395720 /nfs/dbraw/zinc/39/57/20/459395720.db2.gz JPSBCTQARRAGEB-BWPNAZKDSA-N 2 1 343.515 3.330 20 0 EGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccc(Cl)c(F)c1 ZINC000483924231 459397016 /nfs/dbraw/zinc/39/70/16/459397016.db2.gz GMCRYCRSTDAOQY-KGLIPLIRSA-N 2 1 326.843 3.417 20 0 EGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccc(Cl)c(F)c1 ZINC000483924231 459397021 /nfs/dbraw/zinc/39/70/21/459397021.db2.gz GMCRYCRSTDAOQY-KGLIPLIRSA-N 2 1 326.843 3.417 20 0 EGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000582653556 459403105 /nfs/dbraw/zinc/40/31/05/459403105.db2.gz XISZCRHAZNXCMH-WFASDCNBSA-N 2 1 345.409 3.386 20 0 EGADMP CC(C)c1ccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000484781868 459431556 /nfs/dbraw/zinc/43/15/56/459431556.db2.gz YKBFRFHVTWKVFC-NJYVYQBISA-N 2 1 330.516 3.489 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000484971599 459437802 /nfs/dbraw/zinc/43/78/02/459437802.db2.gz MLERISSTRJUJLX-NBHGPNQESA-N 2 1 343.515 3.093 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000484971599 459437807 /nfs/dbraw/zinc/43/78/07/459437807.db2.gz MLERISSTRJUJLX-NBHGPNQESA-N 2 1 343.515 3.093 20 0 EGADMP CC[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000569500621 459463024 /nfs/dbraw/zinc/46/30/24/459463024.db2.gz FEUULBHMDMYJEI-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1C[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000569681105 459492525 /nfs/dbraw/zinc/49/25/25/459492525.db2.gz OZXHKTMMPGRJIJ-MRXNPFEDSA-N 2 1 337.467 3.134 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1C[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000569681105 459492527 /nfs/dbraw/zinc/49/25/27/459492527.db2.gz OZXHKTMMPGRJIJ-MRXNPFEDSA-N 2 1 337.467 3.134 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](C)c3ccc(F)cc3)C2)CC1 ZINC000525875148 459508973 /nfs/dbraw/zinc/50/89/73/459508973.db2.gz CSXCHWBPVXJOHM-FXAWDEMLSA-N 2 1 333.495 3.030 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000583692567 459581514 /nfs/dbraw/zinc/58/15/14/459581514.db2.gz NTKFCPRFTKUKMT-HNNXBMFYSA-N 2 1 343.393 3.366 20 0 EGADMP CC[NH+]1CCC([N@H+](C)CCCC(=O)Nc2ccccc2C(C)=O)CC1 ZINC000572981143 459606026 /nfs/dbraw/zinc/60/60/26/459606026.db2.gz OGTKPBDUUDONKT-UHFFFAOYSA-N 2 1 345.487 3.024 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)CCCC(=O)Nc2ccccc2C(C)=O)CC1 ZINC000572981143 459606029 /nfs/dbraw/zinc/60/60/29/459606029.db2.gz OGTKPBDUUDONKT-UHFFFAOYSA-N 2 1 345.487 3.024 20 0 EGADMP CC(C)c1cc(N2CCC(CCC[NH+](C)C)CC2)nc(N(C)C)[nH+]1 ZINC000499699515 459646641 /nfs/dbraw/zinc/64/66/41/459646641.db2.gz IEOFOAOMWPTLQZ-UHFFFAOYSA-N 2 1 333.524 3.224 20 0 EGADMP Fc1c(Br)ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1F ZINC000527638565 459680213 /nfs/dbraw/zinc/68/02/13/459680213.db2.gz VMMHWKPJKPLOKW-RYUDHWBXSA-N 2 1 345.231 3.444 20 0 EGADMP CCCOc1c(Br)cc(C[N@H+](C)CCC[NH3+])cc1OC ZINC000563130434 459721943 /nfs/dbraw/zinc/72/19/43/459721943.db2.gz OCQMVNUDALTSNZ-UHFFFAOYSA-N 2 1 345.281 3.027 20 0 EGADMP CCCOc1c(Br)cc(C[N@@H+](C)CCC[NH3+])cc1OC ZINC000563130434 459721947 /nfs/dbraw/zinc/72/19/47/459721947.db2.gz OCQMVNUDALTSNZ-UHFFFAOYSA-N 2 1 345.281 3.027 20 0 EGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000563214843 459740250 /nfs/dbraw/zinc/74/02/50/459740250.db2.gz AVSJROWMZPUSNM-DOTOQJQBSA-N 2 1 341.455 3.090 20 0 EGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000563214843 459740253 /nfs/dbraw/zinc/74/02/53/459740253.db2.gz AVSJROWMZPUSNM-DOTOQJQBSA-N 2 1 341.455 3.090 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1(C)C ZINC000527891796 459766683 /nfs/dbraw/zinc/76/66/83/459766683.db2.gz DDSLMUDPXIRZEN-QGZVFWFLSA-N 2 1 339.886 3.082 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000566118997 459809354 /nfs/dbraw/zinc/80/93/54/459809354.db2.gz MXODKUOYEVMGEQ-MJGOQNOKSA-N 2 1 348.531 3.045 20 0 EGADMP Cc1ccc([C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)[NH+](C)C)cc1 ZINC000545308656 459823235 /nfs/dbraw/zinc/82/32/35/459823235.db2.gz UNKCNZZGVGEIMZ-HXUWFJFHSA-N 2 1 345.531 3.369 20 0 EGADMP CC1=CCN(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000545865177 459862991 /nfs/dbraw/zinc/86/29/91/459862991.db2.gz FXFANJKBIRTSPZ-FDFHNCONSA-N 2 1 339.527 3.139 20 0 EGADMP CC1=CC[N@H+](CCN[C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000545865177 459862996 /nfs/dbraw/zinc/86/29/96/459862996.db2.gz FXFANJKBIRTSPZ-FDFHNCONSA-N 2 1 339.527 3.139 20 0 EGADMP CC1=CC[N@@H+](CCN[C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000545865177 459863002 /nfs/dbraw/zinc/86/30/02/459863002.db2.gz FXFANJKBIRTSPZ-FDFHNCONSA-N 2 1 339.527 3.139 20 0 EGADMP CC1=CC[NH+](CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000545865177 459863008 /nfs/dbraw/zinc/86/30/08/459863008.db2.gz FXFANJKBIRTSPZ-FDFHNCONSA-N 2 1 339.527 3.139 20 0 EGADMP CC1=CC[NH+](CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000545865177 459863011 /nfs/dbraw/zinc/86/30/11/459863011.db2.gz FXFANJKBIRTSPZ-FDFHNCONSA-N 2 1 339.527 3.139 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000586755770 459864075 /nfs/dbraw/zinc/86/40/75/459864075.db2.gz ZQXBOHKFIDLOTN-XHSDSOJGSA-N 2 1 340.471 3.058 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000586755770 459864083 /nfs/dbraw/zinc/86/40/83/459864083.db2.gz ZQXBOHKFIDLOTN-XHSDSOJGSA-N 2 1 340.471 3.058 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC([NH+]2CCCCC2)CC1)C1CCCCC1 ZINC000546016811 459888699 /nfs/dbraw/zinc/88/86/99/459888699.db2.gz ZVSWHQRCQPDFKW-UHFFFAOYSA-N 2 1 335.536 3.118 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](C)CC(C)(C)C3)CC2)CC1 ZINC000575760193 459998933 /nfs/dbraw/zinc/99/89/33/459998933.db2.gz HWCSSYZXHGMFAZ-QGZVFWFLSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000589143374 460039179 /nfs/dbraw/zinc/03/91/79/460039179.db2.gz LPEPOHXBPNIACV-FQEVSTJZSA-N 2 1 343.515 3.229 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000625174065 460059281 /nfs/dbraw/zinc/05/92/81/460059281.db2.gz SJTGWTHDBIYUQR-UHFFFAOYSA-N 2 1 348.450 3.172 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cncc(Br)c2)C1 ZINC000576122980 460075805 /nfs/dbraw/zinc/07/58/05/460075805.db2.gz VPEWGGYDZUNGPE-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cncc(Br)c2)C1 ZINC000576122980 460075811 /nfs/dbraw/zinc/07/58/11/460075811.db2.gz VPEWGGYDZUNGPE-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC[NH+]3CCCC3)C2)s1 ZINC000576402209 460134107 /nfs/dbraw/zinc/13/41/07/460134107.db2.gz CLVRFKHDSSSAPT-GOSISDBHSA-N 2 1 335.561 3.296 20 0 EGADMP CC(C)(C)OC(=O)CCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847211 460157948 /nfs/dbraw/zinc/15/79/48/460157948.db2.gz UOLDPOKITNZEDY-UHFFFAOYSA-N 2 1 333.476 3.106 20 0 EGADMP C[C@H]1C[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)C1(F)F ZINC000625654201 460230506 /nfs/dbraw/zinc/23/05/06/460230506.db2.gz RIRPRLRFELXXGJ-HOTGVXAUSA-N 2 1 338.442 3.242 20 0 EGADMP CC1(C)CCC[N@@H+](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000622558870 460277015 /nfs/dbraw/zinc/27/70/15/460277015.db2.gz ADPPPRPTTROTGR-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CC1(C)CCC[NH+](CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000622558870 460277020 /nfs/dbraw/zinc/27/70/20/460277020.db2.gz ADPPPRPTTROTGR-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CC1(C)CCC[NH+](CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000622558870 460277025 /nfs/dbraw/zinc/27/70/25/460277025.db2.gz ADPPPRPTTROTGR-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1 ZINC000615310340 460307707 /nfs/dbraw/zinc/30/77/07/460307707.db2.gz VWNTXUSDKMSTLZ-APWZRJJASA-N 2 1 331.504 3.083 20 0 EGADMP Fc1ccc(COc2ccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000619725491 460423247 /nfs/dbraw/zinc/42/32/47/460423247.db2.gz SLLTXBKJVWROIX-ROUUACIJSA-N 2 1 326.415 3.056 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(OC)ccc32)[C@H](C)C1 ZINC000631579933 460454848 /nfs/dbraw/zinc/45/48/48/460454848.db2.gz CRNMNESNZWNUIM-TYCQWZJGSA-N 2 1 346.515 3.409 20 0 EGADMP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000631582456 460457447 /nfs/dbraw/zinc/45/74/47/460457447.db2.gz KFPUDDQEEDPHRL-INIZCTEOSA-N 2 1 329.488 3.189 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000631654813 460491093 /nfs/dbraw/zinc/49/10/93/460491093.db2.gz IMMNANQXJYACEA-KVPRVUCYSA-N 2 1 326.843 3.381 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000631654813 460491097 /nfs/dbraw/zinc/49/10/97/460491097.db2.gz IMMNANQXJYACEA-KVPRVUCYSA-N 2 1 326.843 3.381 20 0 EGADMP CCCC[C@H](CC)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000604940841 460500782 /nfs/dbraw/zinc/50/07/82/460500782.db2.gz YXADNEBBJONRSS-INIZCTEOSA-N 2 1 332.492 3.378 20 0 EGADMP CC(C)[NH+]1CCC(NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631667363 460501486 /nfs/dbraw/zinc/50/14/86/460501486.db2.gz OIZRELGRSLRZNZ-AZUAARDMSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631667363 460501490 /nfs/dbraw/zinc/50/14/90/460501490.db2.gz OIZRELGRSLRZNZ-AZUAARDMSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631667363 460501498 /nfs/dbraw/zinc/50/14/98/460501498.db2.gz OIZRELGRSLRZNZ-AZUAARDMSA-N 3 1 329.532 3.217 20 0 EGADMP CCc1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000605026238 460528119 /nfs/dbraw/zinc/52/81/19/460528119.db2.gz JETVXMLCXXFBEI-KDURUIRLSA-N 2 1 329.532 3.239 20 0 EGADMP CCc1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000605026238 460528125 /nfs/dbraw/zinc/52/81/25/460528125.db2.gz JETVXMLCXXFBEI-KDURUIRLSA-N 2 1 329.532 3.239 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@H](NC3CC[NH+](C(C)(C)C)CC3)C2)cc1 ZINC000631748532 460543339 /nfs/dbraw/zinc/54/33/39/460543339.db2.gz HITXCNBKLDDONK-HXUWFJFHSA-N 2 1 329.532 3.422 20 0 EGADMP Cc1ccc(CN2CC[C@@H]([NH2+]C3CC[NH+](C(C)(C)C)CC3)C2)cc1 ZINC000631748532 460543347 /nfs/dbraw/zinc/54/33/47/460543347.db2.gz HITXCNBKLDDONK-HXUWFJFHSA-N 2 1 329.532 3.422 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3(C[NH+](C)C)CC3)cc2)C1 ZINC000635348351 460750552 /nfs/dbraw/zinc/75/05/52/460750552.db2.gz FYWCZKLEMPWEDO-MRXNPFEDSA-N 2 1 329.488 3.199 20 0 EGADMP FC(F)(F)c1ncccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000629531948 460798079 /nfs/dbraw/zinc/79/80/79/460798079.db2.gz FRZKBACFQHMKBI-KBPBESRZSA-N 2 1 327.394 3.312 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCCOCCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629561982 460808646 /nfs/dbraw/zinc/80/86/46/460808646.db2.gz MBWSYYGJJBCLRQ-IRXDYDNUSA-N 2 1 344.421 3.095 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](CCc2nsc3ccccc32)CC[C@H]1C(F)(F)F ZINC000629562139 460809243 /nfs/dbraw/zinc/80/92/43/460809243.db2.gz MAZJPLRYFMNPNU-WCQYABFASA-N 2 1 343.418 3.298 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCc2nsc3ccccc32)CC[C@H]1C(F)(F)F ZINC000629562139 460809254 /nfs/dbraw/zinc/80/92/54/460809254.db2.gz MAZJPLRYFMNPNU-WCQYABFASA-N 2 1 343.418 3.298 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000635496383 460812736 /nfs/dbraw/zinc/81/27/36/460812736.db2.gz VXIQWAWCPVUSPR-MRXNPFEDSA-N 2 1 342.487 3.252 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)c1 ZINC000624120192 460868197 /nfs/dbraw/zinc/86/81/97/460868197.db2.gz UGDKPXPLLCQXHA-ROUUACIJSA-N 2 1 331.504 3.342 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCCC[NH+](C)C1 ZINC000624121125 460870497 /nfs/dbraw/zinc/87/04/97/460870497.db2.gz OORMREBVQNJWIP-NRSPTQNISA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCCC[N@H+](C)C1 ZINC000624121125 460870502 /nfs/dbraw/zinc/87/05/02/460870502.db2.gz OORMREBVQNJWIP-NRSPTQNISA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624121125 460870506 /nfs/dbraw/zinc/87/05/06/460870506.db2.gz OORMREBVQNJWIP-NRSPTQNISA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCC[NH+](C)C1 ZINC000624121125 460870514 /nfs/dbraw/zinc/87/05/14/460870514.db2.gz OORMREBVQNJWIP-NRSPTQNISA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCC[NH+](C)C1 ZINC000624121125 460870519 /nfs/dbraw/zinc/87/05/19/460870519.db2.gz OORMREBVQNJWIP-NRSPTQNISA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121125 460870524 /nfs/dbraw/zinc/87/05/24/460870524.db2.gz OORMREBVQNJWIP-NRSPTQNISA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121125 460870530 /nfs/dbraw/zinc/87/05/30/460870530.db2.gz OORMREBVQNJWIP-NRSPTQNISA-N 3 1 329.532 3.219 20 0 EGADMP C[NH2+]CC1(c2ccc(-c3ccc(C[NH+]4CCOCC4)cc3)cc2)CC1 ZINC000629732293 460893152 /nfs/dbraw/zinc/89/31/52/460893152.db2.gz BBWHSUMGXJYSQT-UHFFFAOYSA-N 2 1 336.479 3.437 20 0 EGADMP O=c1[nH]cccc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000624259525 460934236 /nfs/dbraw/zinc/93/42/36/460934236.db2.gz OIRHWRZVPKBSLO-XUVXKRRUSA-N 2 1 337.467 3.178 20 0 EGADMP CCOc1cncc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000621338696 460996114 /nfs/dbraw/zinc/99/61/14/460996114.db2.gz IPPJLFSSYIIHHK-KRWDZBQOSA-N 2 1 327.472 3.481 20 0 EGADMP CCOc1cncc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000621338696 460996120 /nfs/dbraw/zinc/99/61/20/460996120.db2.gz IPPJLFSSYIIHHK-KRWDZBQOSA-N 2 1 327.472 3.481 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc(C3CC3)o2)CC1 ZINC000628186435 461038036 /nfs/dbraw/zinc/03/80/36/461038036.db2.gz KOFYFDMNWSFHKB-UHFFFAOYSA-N 2 1 335.492 3.122 20 0 EGADMP CN(C)c1c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc(F)c1F ZINC000628280295 461071889 /nfs/dbraw/zinc/07/18/89/461071889.db2.gz ZHIUNQTWSASEQJ-HNNXBMFYSA-N 2 1 337.458 3.195 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](CCc1cccc(C(F)(F)F)c1)CCO2 ZINC000628322959 461087925 /nfs/dbraw/zinc/08/79/25/461087925.db2.gz ULZDHAHJBZIXPY-UHFFFAOYSA-N 2 1 342.405 3.045 20 0 EGADMP Cc1cc(C)cc(OCCC[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652347228 461141260 /nfs/dbraw/zinc/14/12/60/461141260.db2.gz WPXOVOAZSWRVJJ-ZVDOUQERSA-N 2 1 346.515 3.291 20 0 EGADMP Fc1ccccc1[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662257742 461148238 /nfs/dbraw/zinc/14/82/38/461148238.db2.gz POIUNYIJEFSSBX-FQEVSTJZSA-N 2 1 326.415 3.045 20 0 EGADMP Fc1ccccc1[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662257742 461148242 /nfs/dbraw/zinc/14/82/42/461148242.db2.gz POIUNYIJEFSSBX-FQEVSTJZSA-N 2 1 326.415 3.045 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)[C@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000637955796 461150874 /nfs/dbraw/zinc/15/08/74/461150874.db2.gz NHMLDFDEOXAREC-SFHVURJKSA-N 2 1 332.488 3.497 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000662273026 461160055 /nfs/dbraw/zinc/16/00/55/461160055.db2.gz JMYNAAOGVFAMLP-SJORKVTESA-N 2 1 341.455 3.172 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCc3nsc4ccccc43)C2)C1 ZINC000662283646 461165760 /nfs/dbraw/zinc/16/57/60/461165760.db2.gz CIFWRAKTSXQCGC-DAYGRLMNSA-N 2 1 345.512 3.057 20 0 EGADMP C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291918 461170604 /nfs/dbraw/zinc/17/06/04/461170604.db2.gz ZMQMMBYUQONPHL-GDBMZVCRSA-N 2 1 340.471 3.108 20 0 EGADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292217 461171098 /nfs/dbraw/zinc/17/10/98/461171098.db2.gz CDGDMXKYZKHEMN-LPHOPBHVSA-N 2 1 343.515 3.288 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297449 461176471 /nfs/dbraw/zinc/17/64/71/461176471.db2.gz QELHCPUWBIQFEX-GDBMZVCRSA-N 2 1 349.906 3.379 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2cccc3c2C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000662492602 461268461 /nfs/dbraw/zinc/26/84/61/461268461.db2.gz MNPBCXHUDMCXEF-VQIMIIECSA-N 2 1 349.478 3.073 20 0 EGADMP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000652713708 461326776 /nfs/dbraw/zinc/32/67/76/461326776.db2.gz VLTISMJXJZPNRP-GUDVDZBRSA-N 2 1 345.531 3.228 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3[NH2+]CCC3(C)C)cc2)C1 ZINC000662676493 461343021 /nfs/dbraw/zinc/34/30/21/461343021.db2.gz XJXWTHJTMBJVNI-YJBOKZPZSA-N 2 1 329.488 3.245 20 0 EGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000641799187 461377055 /nfs/dbraw/zinc/37/70/55/461377055.db2.gz OBCNGFSJKJQIFH-ZWKOTPCHSA-N 2 1 325.456 3.472 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000641805180 461379401 /nfs/dbraw/zinc/37/94/01/461379401.db2.gz MZLBOGLHVBQTDP-AQUOVQTQSA-N 2 1 330.259 3.036 20 0 EGADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000641806992 461383281 /nfs/dbraw/zinc/38/32/81/461383281.db2.gz TWKVALCQEADNFG-QZTJIDSGSA-N 2 1 339.439 3.133 20 0 EGADMP Cc1cccc2c(CC[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)c[nH]c21 ZINC000655716422 461385216 /nfs/dbraw/zinc/38/52/16/461385216.db2.gz XDEGDZLOKXWBFI-IBGZPJMESA-N 2 1 341.499 3.252 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2nsc3ccccc32)C1 ZINC000641818385 461388183 /nfs/dbraw/zinc/38/81/83/461388183.db2.gz DBNIOLOLFBOTPU-XOKHGSTOSA-N 2 1 331.485 3.157 20 0 EGADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]CCn1cc[nH+]c1C ZINC000655723393 461392911 /nfs/dbraw/zinc/39/29/11/461392911.db2.gz KMXDYGXPGNTTGX-UHFFFAOYSA-N 2 1 329.835 3.129 20 0 EGADMP CC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382203 461397909 /nfs/dbraw/zinc/39/79/09/461397909.db2.gz TWJDDKWPUBUWSB-QFUCXCTJSA-N 2 1 327.516 3.286 20 0 EGADMP CC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382203 461397919 /nfs/dbraw/zinc/39/79/19/461397919.db2.gz TWJDDKWPUBUWSB-QFUCXCTJSA-N 2 1 327.516 3.286 20 0 EGADMP CC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382203 461397923 /nfs/dbraw/zinc/39/79/23/461397923.db2.gz TWJDDKWPUBUWSB-QFUCXCTJSA-N 2 1 327.516 3.286 20 0 EGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382203 461397932 /nfs/dbraw/zinc/39/79/32/461397932.db2.gz TWJDDKWPUBUWSB-QFUCXCTJSA-N 2 1 327.516 3.286 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382203 461397938 /nfs/dbraw/zinc/39/79/38/461397938.db2.gz TWJDDKWPUBUWSB-QFUCXCTJSA-N 2 1 327.516 3.286 20 0 EGADMP C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000668740171 461409669 /nfs/dbraw/zinc/40/96/69/461409669.db2.gz QUDQKFSAOKBVKB-ACRUOGEOSA-N 2 1 328.500 3.028 20 0 EGADMP CCc1oc2ccccc2c1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668741709 461410301 /nfs/dbraw/zinc/41/03/01/461410301.db2.gz YTIVZPCXKARLNJ-MRXNPFEDSA-N 2 1 328.456 3.026 20 0 EGADMP CCc1oc2ccccc2c1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668741709 461410308 /nfs/dbraw/zinc/41/03/08/461410308.db2.gz YTIVZPCXKARLNJ-MRXNPFEDSA-N 2 1 328.456 3.026 20 0 EGADMP c1ccc(N2CCCCC2)c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655751348 461418188 /nfs/dbraw/zinc/41/81/88/461418188.db2.gz AWJNJGRKKUGKPQ-HXUWFJFHSA-N 2 1 343.515 3.020 20 0 EGADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000655756472 461421893 /nfs/dbraw/zinc/42/18/93/461421893.db2.gz SSOCUCXIOQNWNU-UHFFFAOYSA-N 2 1 330.863 3.186 20 0 EGADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCC2(CCCCC2)O1 ZINC000655760435 461427256 /nfs/dbraw/zinc/42/72/56/461427256.db2.gz QDBJZFAZKQLFQI-OALUTQOASA-N 2 1 336.520 3.101 20 0 EGADMP c1ccc([C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)cc1 ZINC000655770642 461435211 /nfs/dbraw/zinc/43/52/11/461435211.db2.gz NBHDRGGEXAAUJW-LEWJYISDSA-N 2 1 328.500 3.413 20 0 EGADMP Fc1ccc(CC2([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000655772875 461438630 /nfs/dbraw/zinc/43/86/30/461438630.db2.gz UIDVJRXWVJGMLP-LJQANCHMSA-N 2 1 332.463 3.134 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000663095088 461454293 /nfs/dbraw/zinc/45/42/93/461454293.db2.gz NMVYHJKBVIQQIR-SFTDATJTSA-N 2 1 344.499 3.052 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000663095088 461454296 /nfs/dbraw/zinc/45/42/96/461454296.db2.gz NMVYHJKBVIQQIR-SFTDATJTSA-N 2 1 344.499 3.052 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc(F)c3N)CC2)oc1C ZINC000638524252 461466344 /nfs/dbraw/zinc/46/63/44/461466344.db2.gz NSYXNFQVCQAIGE-UHFFFAOYSA-N 2 1 346.450 3.015 20 0 EGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H]1Sc2ccccc2NC1=O ZINC000659998902 461537096 /nfs/dbraw/zinc/53/70/96/461537096.db2.gz ZHTKWSNVRVLLRW-VKJFTORMSA-N 2 1 345.512 3.048 20 0 EGADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC[C@@H]1Sc2ccccc2NC1=O ZINC000659998902 461537105 /nfs/dbraw/zinc/53/71/05/461537105.db2.gz ZHTKWSNVRVLLRW-VKJFTORMSA-N 2 1 345.512 3.048 20 0 EGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC[C@@H]1Sc2ccccc2NC1=O ZINC000659998902 461537109 /nfs/dbraw/zinc/53/71/09/461537109.db2.gz ZHTKWSNVRVLLRW-VKJFTORMSA-N 2 1 345.512 3.048 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CCC[N@H+]2CCCC[C@H]2C)o1 ZINC000647168049 461538728 /nfs/dbraw/zinc/53/87/28/461538728.db2.gz DKZSUUONWMJPIP-OAHLLOKOSA-N 2 1 330.476 3.343 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)o1 ZINC000647168049 461538734 /nfs/dbraw/zinc/53/87/34/461538734.db2.gz DKZSUUONWMJPIP-OAHLLOKOSA-N 2 1 330.476 3.343 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)o1 ZINC000647179926 461547598 /nfs/dbraw/zinc/54/75/98/461547598.db2.gz WAQGKLMIYMFKEG-MRXNPFEDSA-N 2 1 330.476 3.199 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663344382 461571844 /nfs/dbraw/zinc/57/18/44/461571844.db2.gz SKRUAYSCXUQXCW-FXAWDEMLSA-N 2 1 346.515 3.312 20 0 EGADMP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)s2)cn1 ZINC000663343777 461572188 /nfs/dbraw/zinc/57/21/88/461572188.db2.gz FEWUDOWJIHFOID-INIZCTEOSA-N 2 1 344.528 3.360 20 0 EGADMP CC[C@@H](C)C[C@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000647245145 461583967 /nfs/dbraw/zinc/58/39/67/461583967.db2.gz REAAHDHBELQXGT-OXQOHEQNSA-N 2 1 336.495 3.219 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@@H]1n1ccnc1 ZINC000660112294 461586575 /nfs/dbraw/zinc/58/65/75/461586575.db2.gz JOKHCUQDQFNHME-KURKYZTESA-N 2 1 346.519 3.051 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000663465356 461655016 /nfs/dbraw/zinc/65/50/16/461655016.db2.gz JIMCCEGDLQICAB-ZFWWWQNUSA-N 2 1 329.444 3.306 20 0 EGADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663467095 461658289 /nfs/dbraw/zinc/65/82/89/461658289.db2.gz ZNFLTCXTWJPTFO-OTWHNJEPSA-N 2 1 330.520 3.158 20 0 EGADMP c1cn2c(n1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000639072641 461708372 /nfs/dbraw/zinc/70/83/72/461708372.db2.gz YFNQWQPKKVPABA-GGPKGHCWSA-N 2 1 336.483 3.156 20 0 EGADMP c1cn2c(n1)C[C@H]([NH2+][C@@H]1CC[N@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000639072641 461708376 /nfs/dbraw/zinc/70/83/76/461708376.db2.gz YFNQWQPKKVPABA-GGPKGHCWSA-N 2 1 336.483 3.156 20 0 EGADMP C[NH+](C)C1(CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000639085236 461719190 /nfs/dbraw/zinc/71/91/90/461719190.db2.gz DQMJTFJGDRMSNW-QUCCMNQESA-N 2 1 327.516 3.428 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482484 461729818 /nfs/dbraw/zinc/72/98/18/461729818.db2.gz IYNUPXZKOPLECM-UHFFFAOYSA-N 2 1 337.467 3.474 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482484 461729827 /nfs/dbraw/zinc/72/98/27/461729827.db2.gz IYNUPXZKOPLECM-UHFFFAOYSA-N 2 1 337.467 3.474 20 0 EGADMP CC[C@@H]1C[N@H+](Cc2cn(-c3ccc(Cl)cc3)nc2C)CC[C@@H]1[NH3+] ZINC000647498104 461736581 /nfs/dbraw/zinc/73/65/81/461736581.db2.gz AFIHXRWBDSMVSR-KDOFPFPSSA-N 2 1 332.879 3.393 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2cn(-c3ccc(Cl)cc3)nc2C)CC[C@@H]1[NH3+] ZINC000647498104 461736586 /nfs/dbraw/zinc/73/65/86/461736586.db2.gz AFIHXRWBDSMVSR-KDOFPFPSSA-N 2 1 332.879 3.393 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647506108 461738484 /nfs/dbraw/zinc/73/84/84/461738484.db2.gz GWLWHQOHAQYOSJ-SFHVURJKSA-N 2 1 334.895 3.390 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647506108 461738491 /nfs/dbraw/zinc/73/84/91/461738491.db2.gz GWLWHQOHAQYOSJ-SFHVURJKSA-N 2 1 334.895 3.390 20 0 EGADMP C[C@H](N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000643480205 461741546 /nfs/dbraw/zinc/74/15/46/461741546.db2.gz FTOPEMDQMNLFQY-JOZSIVFUSA-N 2 1 327.516 3.017 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000666657059 461742104 /nfs/dbraw/zinc/74/21/04/461742104.db2.gz MEJFZXIAXLHUON-KRWDZBQOSA-N 2 1 344.503 3.325 20 0 EGADMP [NH3+]CC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000643480296 461743473 /nfs/dbraw/zinc/74/34/73/461743473.db2.gz SMYUUNAQQRBJNS-KPUASWNJSA-N 3 1 341.543 3.394 20 0 EGADMP Brc1ccc([C@H]([NH2+]C2CC[NH2+]CC2)[C@H]2CCCO2)cc1 ZINC000643496176 461744471 /nfs/dbraw/zinc/74/44/71/461744471.db2.gz KEDUUCCNMSJTDH-CVEARBPZSA-N 2 1 339.277 3.011 20 0 EGADMP Cc1cc(C)c(/C=C/C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c(C)c1 ZINC000637869532 461747019 /nfs/dbraw/zinc/74/70/19/461747019.db2.gz MHEQKNKLWCXWGH-VOTSOKGWSA-N 2 1 341.543 3.338 20 0 EGADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543155 461756947 /nfs/dbraw/zinc/75/69/47/461756947.db2.gz IHKCTVWXYUQWDN-IRXDYDNUSA-N 2 1 325.456 3.152 20 0 EGADMP COc1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)O[C@H](C)C2 ZINC000647543720 461758993 /nfs/dbraw/zinc/75/89/93/461758993.db2.gz RLPPTYGUPFHEMH-ZACQAIPSSA-N 2 1 344.499 3.230 20 0 EGADMP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]Cc3ccc4c(n3)CCC4)C2)cc1 ZINC000656496588 461768209 /nfs/dbraw/zinc/76/82/09/461768209.db2.gz HSJZBSXMNSPDES-IBGZPJMESA-N 2 1 335.495 3.225 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]Cc3ccc4c(n3)CCC4)C2)cc1 ZINC000656496588 461768216 /nfs/dbraw/zinc/76/82/16/461768216.db2.gz HSJZBSXMNSPDES-IBGZPJMESA-N 2 1 335.495 3.225 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000660434469 461776683 /nfs/dbraw/zinc/77/66/83/461776683.db2.gz GRLPCASPFPFRPT-QZTJIDSGSA-N 2 1 344.547 3.377 20 0 EGADMP COc1ccc(-c2nc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])cs2)cc1 ZINC000666743774 461785739 /nfs/dbraw/zinc/78/57/39/461785739.db2.gz WIKWUZJTHJECLZ-RHSMWYFYSA-N 2 1 331.485 3.426 20 0 EGADMP CC(C)(C)[C@@]1(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000639202185 461800588 /nfs/dbraw/zinc/80/05/88/461800588.db2.gz UHDBROXREVZEQO-HIUFNZKISA-N 2 1 342.527 3.095 20 0 EGADMP CC(C)(C)[C@@]1(C[NH+]2C[C@H]3[C@H](CO)[C@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639202185 461800595 /nfs/dbraw/zinc/80/05/95/461800595.db2.gz UHDBROXREVZEQO-HIUFNZKISA-N 2 1 342.527 3.095 20 0 EGADMP CC(C)(C)[C@@]1(C[NH+]2C[C@H]3[C@H](CO)[C@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639202185 461800601 /nfs/dbraw/zinc/80/06/01/461800601.db2.gz UHDBROXREVZEQO-HIUFNZKISA-N 2 1 342.527 3.095 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647789674 461835917 /nfs/dbraw/zinc/83/59/17/461835917.db2.gz JCOAENOCAPNRRW-QRGGPHLOSA-N 3 1 341.543 3.121 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647789674 461835925 /nfs/dbraw/zinc/83/59/25/461835925.db2.gz JCOAENOCAPNRRW-QRGGPHLOSA-N 2 1 341.543 3.121 20 0 EGADMP c1cc2c(cc1[C@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1)OCCO2 ZINC000647872603 461865561 /nfs/dbraw/zinc/86/55/61/461865561.db2.gz GCYVJDFNTPZOIE-GOSISDBHSA-N 2 1 330.472 3.375 20 0 EGADMP CC(C)[N@@H+](CCCC1CC[NH2+]CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000647878553 461866459 /nfs/dbraw/zinc/86/64/59/461866459.db2.gz QECVVWXMFVORCX-UHFFFAOYSA-N 2 1 342.487 3.326 20 0 EGADMP Clc1ccc(-c2noc([C@H]3CCC[N@@H+](C[C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000647883998 461869678 /nfs/dbraw/zinc/86/96/78/461869678.db2.gz SOWHTWCDMBSIJI-ZFWWWQNUSA-N 2 1 346.862 3.179 20 0 EGADMP C[N@@H+](CCOc1ccc(OCc2ccccc2)cc1)C[C@@H]1CC[NH2+]C1 ZINC000647885643 461870075 /nfs/dbraw/zinc/87/00/75/461870075.db2.gz ADXPGJZNAJYFAU-LJQANCHMSA-N 2 1 340.467 3.186 20 0 EGADMP CN(CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)CC(F)F ZINC000639356038 461880363 /nfs/dbraw/zinc/88/03/63/461880363.db2.gz FLEUROHWHHQHLW-AEFFLSMTSA-N 2 1 337.458 3.141 20 0 EGADMP CN(CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)CC(F)F ZINC000639356038 461880369 /nfs/dbraw/zinc/88/03/69/461880369.db2.gz FLEUROHWHHQHLW-AEFFLSMTSA-N 2 1 337.458 3.141 20 0 EGADMP Cn1c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc2cc(Cl)ccc21 ZINC000656784883 461894864 /nfs/dbraw/zinc/89/48/64/461894864.db2.gz HZGURTDXBKCNEO-HNNXBMFYSA-N 2 1 346.906 3.438 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000639387806 461905665 /nfs/dbraw/zinc/90/56/65/461905665.db2.gz NIWYDFJJAYSICH-OAHLLOKOSA-N 2 1 330.394 3.401 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(Cl)c1 ZINC000650722177 461915003 /nfs/dbraw/zinc/91/50/03/461915003.db2.gz MUNZLJOGQLUINX-QGTPRVQTSA-N 2 1 338.879 3.209 20 0 EGADMP CC1(C)Cc2cc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)ccc2O1 ZINC000650723916 461915941 /nfs/dbraw/zinc/91/59/41/461915941.db2.gz VTYSIHROIQMPFI-NLWGTHIKSA-N 2 1 344.499 3.261 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccnc3ccccc23)C1 ZINC000650723995 461917087 /nfs/dbraw/zinc/91/70/87/461917087.db2.gz WQQLAFZXJMIKSS-LSTHTHJFSA-N 2 1 325.456 3.096 20 0 EGADMP CC(C)N(C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647974934 461917320 /nfs/dbraw/zinc/91/73/20/461917320.db2.gz CEYWQMKKRMIIKG-MOPGFXCFSA-N 2 1 343.515 3.140 20 0 EGADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977077 461918576 /nfs/dbraw/zinc/91/85/76/461918576.db2.gz XRERDIUIJVBGKZ-OALUTQOASA-N 2 1 344.499 3.500 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@@H+](C)CCCn2ccnc2C)o1 ZINC000648035995 461952894 /nfs/dbraw/zinc/95/28/94/461952894.db2.gz YEXYYLSGQUTPQU-UHFFFAOYSA-N 2 1 327.432 3.016 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000648035995 461952908 /nfs/dbraw/zinc/95/29/08/461952908.db2.gz YEXYYLSGQUTPQU-UHFFFAOYSA-N 2 1 327.432 3.016 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CCC(=O)Nc2cccc(F)c2)c1 ZINC000644527101 461970779 /nfs/dbraw/zinc/97/07/79/461970779.db2.gz MNCRXUMEMDRWRK-UHFFFAOYSA-N 2 1 343.446 3.396 20 0 EGADMP CCN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@H]1CC[N@@H+](CC)C1 ZINC000667196041 461991598 /nfs/dbraw/zinc/99/15/98/461991598.db2.gz NSKMFNVVFAAJFU-HKUYNNGSSA-N 2 1 344.503 3.184 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccnn1CC1CC1 ZINC000657308573 462033105 /nfs/dbraw/zinc/03/31/05/462033105.db2.gz VJWSJRUAEILCLF-UHFFFAOYSA-N 2 1 326.488 3.423 20 0 EGADMP Cc1c(Br)cncc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000657318649 462042166 /nfs/dbraw/zinc/04/21/66/462042166.db2.gz MJSNDMDOGJESGI-UHFFFAOYSA-N 2 1 338.293 3.117 20 0 EGADMP CCOc1ccccc1OCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682748 462055111 /nfs/dbraw/zinc/05/51/11/462055111.db2.gz LEYLDRAXWFUWCS-UHFFFAOYSA-N 2 1 341.455 3.071 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(COC)cs2)[C@H](C)C1 ZINC000657363768 462072635 /nfs/dbraw/zinc/07/26/35/462072635.db2.gz RULDOXIOHNCCKS-CRAIPNDOSA-N 2 1 340.533 3.121 20 0 EGADMP Cc1cccc2[nH]c(C[NH2+]CCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc21 ZINC000657367441 462076738 /nfs/dbraw/zinc/07/67/38/462076738.db2.gz OGZGZVIKLDYALW-CALCHBBNSA-N 2 1 329.488 3.455 20 0 EGADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)ccc1OC(F)F ZINC000639760008 462096947 /nfs/dbraw/zinc/09/69/47/462096947.db2.gz PNRPUMJCOZOCNE-UHFFFAOYSA-N 2 1 340.414 3.214 20 0 EGADMP CC[N@@H+](CCCNC(=O)N[C@@H]1C[C@H](C)n2ccnc21)C1CCCCC1 ZINC000651138360 462103201 /nfs/dbraw/zinc/10/32/01/462103201.db2.gz FUKCSFPGGVPBEJ-DOTOQJQBSA-N 2 1 347.507 3.233 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000667493798 462110509 /nfs/dbraw/zinc/11/05/09/462110509.db2.gz CPCPTUWKUJIXFN-QGZVFWFLSA-N 2 1 334.504 3.405 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000667493798 462110512 /nfs/dbraw/zinc/11/05/12/462110512.db2.gz CPCPTUWKUJIXFN-QGZVFWFLSA-N 2 1 334.504 3.405 20 0 EGADMP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000651210962 462136015 /nfs/dbraw/zinc/13/60/15/462136015.db2.gz JEERRAVJHALZLP-UYAOXDASSA-N 2 1 346.515 3.072 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)CC2)CC1 ZINC000654375833 462194595 /nfs/dbraw/zinc/19/45/95/462194595.db2.gz IQVBMLGYMHUYKH-MBOZVWFJSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1ccccc1NC(=O)CC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982003 462203621 /nfs/dbraw/zinc/20/36/21/462203621.db2.gz CTIHOVCJTWSHDO-UHFFFAOYSA-N 2 1 329.488 3.274 20 0 EGADMP c1cn2c(n1)[C@@H](N[C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000648629217 462206962 /nfs/dbraw/zinc/20/69/62/462206962.db2.gz VARITUOJCOFWKU-YRPNKDGESA-N 2 1 336.483 3.218 20 0 EGADMP COC[C@@]1(C)CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000648643449 462212714 /nfs/dbraw/zinc/21/27/14/462212714.db2.gz WYIUGJJZHYSFRQ-FQEVSTJZSA-N 2 1 332.488 3.020 20 0 EGADMP Cc1ncc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1C ZINC000667687337 462214678 /nfs/dbraw/zinc/21/46/78/462214678.db2.gz JRBJYWVEEZVFFQ-AWEZNQCLSA-N 2 1 330.501 3.443 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000661429388 462244791 /nfs/dbraw/zinc/24/47/91/462244791.db2.gz YOLGAWCJAHRHRF-SFHVURJKSA-N 2 1 333.863 3.226 20 0 EGADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+]3CCCC[C@H]3C)cc2)CC[N@H+]1C ZINC000648737976 462253739 /nfs/dbraw/zinc/25/37/39/462253739.db2.gz SWUPZPKSZOAXDT-GPMSIDNRSA-N 2 1 329.488 3.340 20 0 EGADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC[NH+]1C ZINC000648737976 462253745 /nfs/dbraw/zinc/25/37/45/462253745.db2.gz SWUPZPKSZOAXDT-GPMSIDNRSA-N 2 1 329.488 3.340 20 0 EGADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC[NH+]1C ZINC000648737976 462253749 /nfs/dbraw/zinc/25/37/49/462253749.db2.gz SWUPZPKSZOAXDT-GPMSIDNRSA-N 2 1 329.488 3.340 20 0 EGADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)CC[N@H+]1C ZINC000648738435 462253910 /nfs/dbraw/zinc/25/39/10/462253910.db2.gz SIBFBETXWFKVPD-FRQCXROJSA-N 2 1 329.488 3.197 20 0 EGADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC[NH+]1C ZINC000648738435 462253914 /nfs/dbraw/zinc/25/39/14/462253914.db2.gz SIBFBETXWFKVPD-FRQCXROJSA-N 2 1 329.488 3.197 20 0 EGADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC[NH+]1C ZINC000648738435 462253922 /nfs/dbraw/zinc/25/39/22/462253922.db2.gz SIBFBETXWFKVPD-FRQCXROJSA-N 2 1 329.488 3.197 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000648738888 462254364 /nfs/dbraw/zinc/25/43/64/462254364.db2.gz MUFNLAJFIFKFBZ-CRAIPNDOSA-N 2 1 340.471 3.334 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000648738888 462254371 /nfs/dbraw/zinc/25/43/71/462254371.db2.gz MUFNLAJFIFKFBZ-CRAIPNDOSA-N 2 1 340.471 3.334 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000640099034 462257565 /nfs/dbraw/zinc/25/75/65/462257565.db2.gz HCOZTVKOMMTARY-UFYCRDLUSA-N 2 1 325.456 3.306 20 0 EGADMP C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[NH+]1CC(C)C1 ZINC000654526446 462268422 /nfs/dbraw/zinc/26/84/22/462268422.db2.gz KYGOEXBEGKNOAU-IAGOWNOFSA-N 2 1 329.488 3.340 20 0 EGADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+]1CC(C)C1 ZINC000654526446 462268427 /nfs/dbraw/zinc/26/84/27/462268427.db2.gz KYGOEXBEGKNOAU-IAGOWNOFSA-N 2 1 329.488 3.340 20 0 EGADMP Cc1cc(NC(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cn2cc[nH+]c12 ZINC000640157881 462288205 /nfs/dbraw/zinc/28/82/05/462288205.db2.gz HGGBGPPJWMRIPD-RDJZCZTQSA-N 2 1 343.475 3.227 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000651692851 462305229 /nfs/dbraw/zinc/30/52/29/462305229.db2.gz UNUNXNGCURKVHM-SFHVURJKSA-N 2 1 326.488 3.311 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000651692851 462305236 /nfs/dbraw/zinc/30/52/36/462305236.db2.gz UNUNXNGCURKVHM-SFHVURJKSA-N 2 1 326.488 3.311 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc2ccncc2s1 ZINC000657992220 462339780 /nfs/dbraw/zinc/33/97/80/462339780.db2.gz DIQNGIDBNZMDCY-LSDHHAIUSA-N 2 1 333.501 3.448 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc2ccncc2s1 ZINC000657992220 462339784 /nfs/dbraw/zinc/33/97/84/462339784.db2.gz DIQNGIDBNZMDCY-LSDHHAIUSA-N 2 1 333.501 3.448 20 0 EGADMP COCC[C@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253224 462369979 /nfs/dbraw/zinc/36/99/79/462369979.db2.gz KSIFDDUGGHBTRL-SVYNMNNPSA-N 2 1 338.442 3.205 20 0 EGADMP COCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253223 462370919 /nfs/dbraw/zinc/37/09/19/462370919.db2.gz KSIFDDUGGHBTRL-OYYCAODRSA-N 2 1 338.442 3.205 20 0 EGADMP CC[N@@H+](CCCNCc1cn(C)nc1C(F)F)C1CCCCC1 ZINC000651910121 462377088 /nfs/dbraw/zinc/37/70/88/462377088.db2.gz HSBHVGIPBCYBMA-UHFFFAOYSA-N 2 1 328.451 3.492 20 0 EGADMP c1ccc([C@@H]2C[C@@H](NC[C@@H]3CCC[N@@H+](CC4CC4)C3)CC[NH2+]2)cc1 ZINC000665299671 462391598 /nfs/dbraw/zinc/39/15/98/462391598.db2.gz RBEKVVXIJUTFAH-JBACZVJFSA-N 3 1 327.516 3.191 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C4CCCC3CCC4)CC2)CC1 ZINC000654834724 462396562 /nfs/dbraw/zinc/39/65/62/462396562.db2.gz YTNRYUQKIUPRQM-UHFFFAOYSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@@H](C)CN(CC)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000654855891 462404286 /nfs/dbraw/zinc/40/42/86/462404286.db2.gz LCKAYVYBXWQTCN-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+](CCCNC(=O)N(C)CC[C@H]([NH3+])C(C)C)C1CCCCC1 ZINC000652228075 462479819 /nfs/dbraw/zinc/47/98/19/462479819.db2.gz VPJRZYPHGMJADS-SFHVURJKSA-N 2 1 340.556 3.046 20 0 EGADMP COc1cccc([C@@H]2CCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000191380917 533728182 /nfs/dbraw/zinc/72/81/82/533728182.db2.gz KOIQZKMCORRVMS-NRFANRHFSA-N 2 1 345.531 3.248 20 0 EGADMP CC(C)[NH+]1CCC(NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000186878985 535161426 /nfs/dbraw/zinc/16/14/26/535161426.db2.gz CXNBMELNJOPIKT-NRFANRHFSA-N 2 1 329.532 3.359 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCc3ccc4ccccc4c3)C2)CC1 ZINC000265122762 535734428 /nfs/dbraw/zinc/73/44/28/535734428.db2.gz FYQQZLLYRXTHIY-JOCHJYFZSA-N 2 1 337.511 3.094 20 0 EGADMP C[N@H+](C[C@@H](O)c1ccc(F)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266527955 536421290 /nfs/dbraw/zinc/42/12/90/536421290.db2.gz FABYKLONFANGGE-GHTZIAJQSA-N 2 1 342.458 3.313 20 0 EGADMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266527955 536421293 /nfs/dbraw/zinc/42/12/93/536421293.db2.gz FABYKLONFANGGE-GHTZIAJQSA-N 2 1 342.458 3.313 20 0 EGADMP C[NH+](C[C@@H](O)c1ccc(F)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266527955 536421298 /nfs/dbraw/zinc/42/12/98/536421298.db2.gz FABYKLONFANGGE-GHTZIAJQSA-N 2 1 342.458 3.313 20 0 EGADMP C[NH+](C[C@@H](O)c1ccc(F)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266527955 536421302 /nfs/dbraw/zinc/42/13/02/536421302.db2.gz FABYKLONFANGGE-GHTZIAJQSA-N 2 1 342.458 3.313 20 0 EGADMP COc1ccc2c(c1)C[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000092507627 546674502 /nfs/dbraw/zinc/67/45/02/546674502.db2.gz AIWSLLAPURRTJE-UHFFFAOYSA-N 2 1 340.467 3.194 20 0 EGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCOCC12CCCC2 ZINC000093840778 546687571 /nfs/dbraw/zinc/68/75/71/546687571.db2.gz LDDNCLRVNMPNOV-UHFFFAOYSA-N 2 1 344.499 3.306 20 0 EGADMP CN(C)c1cccc(C[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000093845637 546688522 /nfs/dbraw/zinc/68/85/22/546688522.db2.gz FQEYYKJUEVMSIP-UHFFFAOYSA-N 2 1 341.499 3.325 20 0 EGADMP CCO[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000155429622 546901923 /nfs/dbraw/zinc/90/19/23/546901923.db2.gz KXHOTBMBGYQOPN-FQEVSTJZSA-N 2 1 332.488 3.162 20 0 EGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166321294 546987265 /nfs/dbraw/zinc/98/72/65/546987265.db2.gz VXSVFDMEDMDVEJ-IEBWSBKVSA-N 2 1 329.488 3.388 20 0 EGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166321294 546987271 /nfs/dbraw/zinc/98/72/71/546987271.db2.gz VXSVFDMEDMDVEJ-IEBWSBKVSA-N 2 1 329.488 3.388 20 0 EGADMP O=C(CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Nc1ccc(Cl)cc1 ZINC000166355793 546988203 /nfs/dbraw/zinc/98/82/03/546988203.db2.gz INVPGEHUJZZBHI-IAGOWNOFSA-N 2 1 335.879 3.275 20 0 EGADMP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000180046382 547051616 /nfs/dbraw/zinc/05/16/16/547051616.db2.gz YHUMAKWSZNNRIH-OWCLPIDISA-N 2 1 342.487 3.178 20 0 EGADMP Cc1cc(NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)nc(C)[nH+]1 ZINC000340950884 547585768 /nfs/dbraw/zinc/58/57/68/547585768.db2.gz INIWTLLOOYZLIA-GOSISDBHSA-N 2 1 328.460 3.017 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C)nc1 ZINC000414530739 547858303 /nfs/dbraw/zinc/85/83/03/547858303.db2.gz SBSBEVCUOYKJSE-NHCUHLMSSA-N 2 1 339.483 3.017 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C)nc1 ZINC000414530739 547858306 /nfs/dbraw/zinc/85/83/06/547858306.db2.gz SBSBEVCUOYKJSE-NHCUHLMSSA-N 2 1 339.483 3.017 20 0 EGADMP Cc1cc2cc(C[NH+]3CCN([C@H]4CCC[N@@H+](C)C4)CC3)oc2cc1C ZINC000678258826 549447969 /nfs/dbraw/zinc/44/79/69/549447969.db2.gz PABLPVAFQLJUOH-IBGZPJMESA-N 2 1 341.499 3.261 20 0 EGADMP Cc1cc2cc(C[NH+]3CCN([C@H]4CCC[N@H+](C)C4)CC3)oc2cc1C ZINC000678258826 549447974 /nfs/dbraw/zinc/44/79/74/549447974.db2.gz PABLPVAFQLJUOH-IBGZPJMESA-N 2 1 341.499 3.261 20 0 EGADMP CCC[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000678271664 549453154 /nfs/dbraw/zinc/45/31/54/549453154.db2.gz ZRXMTFLTBVBPBI-HXUWFJFHSA-N 2 1 332.488 3.162 20 0 EGADMP CCC[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000678271664 549453157 /nfs/dbraw/zinc/45/31/57/549453157.db2.gz ZRXMTFLTBVBPBI-HXUWFJFHSA-N 2 1 332.488 3.162 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2cccc(OC)c2)C1 ZINC000678284122 549458923 /nfs/dbraw/zinc/45/89/23/549458923.db2.gz VSPUKYWZVKWNSX-INIZCTEOSA-N 2 1 342.487 3.249 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2cccc(OC)c2)C1 ZINC000678284122 549458929 /nfs/dbraw/zinc/45/89/29/549458929.db2.gz VSPUKYWZVKWNSX-INIZCTEOSA-N 2 1 342.487 3.249 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(OC)c2)C1 ZINC000678284122 549458931 /nfs/dbraw/zinc/45/89/31/549458931.db2.gz VSPUKYWZVKWNSX-INIZCTEOSA-N 2 1 342.487 3.249 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(OC)c2)C1 ZINC000678284122 549458935 /nfs/dbraw/zinc/45/89/35/549458935.db2.gz VSPUKYWZVKWNSX-INIZCTEOSA-N 2 1 342.487 3.249 20 0 EGADMP Cc1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)n1 ZINC000678426576 549488936 /nfs/dbraw/zinc/48/89/36/549488936.db2.gz FTCSMAUDSUWUNF-INIZCTEOSA-N 2 1 339.487 3.425 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)c1ccccc1 ZINC000678762840 549555654 /nfs/dbraw/zinc/55/56/54/549555654.db2.gz PPPUQNGNJBWRLI-NQIIRXRSSA-N 2 1 340.511 3.435 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)c1ccccc1 ZINC000678762840 549555659 /nfs/dbraw/zinc/55/56/59/549555659.db2.gz PPPUQNGNJBWRLI-NQIIRXRSSA-N 2 1 340.511 3.435 20 0 EGADMP CC(C)COc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000678811138 549566419 /nfs/dbraw/zinc/56/64/19/549566419.db2.gz HWPPOFLAEJJFDL-UHFFFAOYSA-N 2 1 325.456 3.439 20 0 EGADMP Cc1cc(C[NH+]2CCSCC2)ccc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000679143047 549643793 /nfs/dbraw/zinc/64/37/93/549643793.db2.gz OWVGQXMQGDCXDV-AEFFLSMTSA-N 2 1 333.545 3.438 20 0 EGADMP CC(C)[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccnn1C ZINC000682616664 550120613 /nfs/dbraw/zinc/12/06/13/550120613.db2.gz GQJMGWOSTIGRTE-FQEVSTJZSA-N 2 1 340.515 3.414 20 0 EGADMP Cc1cccc2nc(N(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)sc21 ZINC000684573077 550344422 /nfs/dbraw/zinc/34/44/22/550344422.db2.gz CPHXCDUWZZSZJB-INIZCTEOSA-N 2 1 344.528 3.209 20 0 EGADMP Cc1cccc2nc(N(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)sc21 ZINC000684573077 550344423 /nfs/dbraw/zinc/34/44/23/550344423.db2.gz CPHXCDUWZZSZJB-INIZCTEOSA-N 2 1 344.528 3.209 20 0 EGADMP Oc1cccc2c(NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)cc[nH+]c12 ZINC000684579397 550345420 /nfs/dbraw/zinc/34/54/20/550345420.db2.gz HNEXIEIIUFHBIW-KRWDZBQOSA-N 2 1 349.434 3.119 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1CNc1cc[nH+]cc1Cl ZINC000685904008 550453337 /nfs/dbraw/zinc/45/33/37/550453337.db2.gz SXPKHSSMADWUQW-UHFFFAOYSA-N 2 1 333.863 3.490 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000729316314 574837603 /nfs/dbraw/zinc/83/76/03/574837603.db2.gz GEXCOSHSJVBOEI-HXUWFJFHSA-N 2 1 343.515 3.033 20 0 EGADMP CC(C)c1[nH+]ccn1CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000732960754 575298287 /nfs/dbraw/zinc/29/82/87/575298287.db2.gz VGWJVRQGWYQOFM-UHFFFAOYSA-N 2 1 340.471 3.032 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@H](C(C)C)CC1=O ZINC000733297549 575325753 /nfs/dbraw/zinc/32/57/53/575325753.db2.gz OQSFULKSAOUTCT-IBGZPJMESA-N 2 1 331.504 3.032 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@H](C(C)C)CC1=O ZINC000733297549 575325754 /nfs/dbraw/zinc/32/57/54/575325754.db2.gz OQSFULKSAOUTCT-IBGZPJMESA-N 2 1 331.504 3.032 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000679137579 576174675 /nfs/dbraw/zinc/17/46/75/576174675.db2.gz MNFCPIHFWHQMRJ-DODZYUBVSA-N 2 1 331.504 3.190 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000679137579 576174677 /nfs/dbraw/zinc/17/46/77/576174677.db2.gz MNFCPIHFWHQMRJ-DODZYUBVSA-N 2 1 331.504 3.190 20 0 EGADMP C[C@H](N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000693713384 1298150589 /nfs/dbraw/zinc/15/05/89/1298150589.db2.gz OBDBXGJOXBSQEA-JBINPLMMSA-N 2 1 341.543 3.263 20 0 EGADMP C[C@H]([NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000693713384 1298150594 /nfs/dbraw/zinc/15/05/94/1298150594.db2.gz OBDBXGJOXBSQEA-JBINPLMMSA-N 3 1 341.543 3.263 20 0 EGADMP C[C@H]([NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000693713384 1298150600 /nfs/dbraw/zinc/15/06/00/1298150600.db2.gz OBDBXGJOXBSQEA-JBINPLMMSA-N 3 1 341.543 3.263 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000069445501 1292243511 /nfs/dbraw/zinc/24/35/11/1292243511.db2.gz HCKPCTVNPCKHBZ-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP CCc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000069785281 1292252004 /nfs/dbraw/zinc/25/20/04/1292252004.db2.gz YQIOWKGZHVBIOC-UHFFFAOYSA-N 2 1 337.511 3.286 20 0 EGADMP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000073184196 1292309863 /nfs/dbraw/zinc/30/98/63/1292309863.db2.gz PKZJKJGPKOIZQT-LJQANCHMSA-N 2 1 336.439 3.136 20 0 EGADMP O=C1O[C@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CN1C1CCCCC1 ZINC000827930281 1292405638 /nfs/dbraw/zinc/40/56/38/1292405638.db2.gz JSQHBZJNGYIUBM-IEBWSBKVSA-N 2 1 349.519 3.090 20 0 EGADMP O=C1O[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CN1C1CCCCC1 ZINC000827930281 1292405643 /nfs/dbraw/zinc/40/56/43/1292405643.db2.gz JSQHBZJNGYIUBM-IEBWSBKVSA-N 2 1 349.519 3.090 20 0 EGADMP C[C@@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000079751262 1292574024 /nfs/dbraw/zinc/57/40/24/1292574024.db2.gz JKIKVUHEGIWGPM-IBGZPJMESA-N 2 1 329.532 3.363 20 0 EGADMP CCc1ncc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)s1 ZINC000084024339 1292698475 /nfs/dbraw/zinc/69/84/75/1292698475.db2.gz BXTWRLWMIGKWQB-UHFFFAOYSA-N 2 1 348.516 3.312 20 0 EGADMP COc1ccc(Br)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000087790515 1292746516 /nfs/dbraw/zinc/74/65/16/1292746516.db2.gz DNXIAAGZQGXWHU-GFCCVEGCSA-N 2 1 327.266 3.019 20 0 EGADMP CCOC(=O)N1CCC([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](CC)C2)CC1 ZINC000089153607 1292758738 /nfs/dbraw/zinc/75/87/38/1292758738.db2.gz HHPQRGUYEDAQRS-INIZCTEOSA-N 2 1 339.524 3.098 20 0 EGADMP CCOC(=O)N1CCC([NH2+]CC(C)(C)[N@H+]2CCC[C@H](CC)C2)CC1 ZINC000089153607 1292758740 /nfs/dbraw/zinc/75/87/40/1292758740.db2.gz HHPQRGUYEDAQRS-INIZCTEOSA-N 2 1 339.524 3.098 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)[C@H](C)C1 ZINC000091685234 1292840894 /nfs/dbraw/zinc/84/08/94/1292840894.db2.gz YALDVUMTFPPRAJ-LJHODMEESA-N 2 1 349.906 3.495 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)[C@H](C)C1 ZINC000091685234 1292840902 /nfs/dbraw/zinc/84/09/02/1292840902.db2.gz YALDVUMTFPPRAJ-LJHODMEESA-N 2 1 349.906 3.495 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)[C@H](C)C1 ZINC000091685234 1292840912 /nfs/dbraw/zinc/84/09/12/1292840912.db2.gz YALDVUMTFPPRAJ-LJHODMEESA-N 2 1 349.906 3.495 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)[C@H](C)C1 ZINC000091685234 1292840923 /nfs/dbraw/zinc/84/09/23/1292840923.db2.gz YALDVUMTFPPRAJ-LJHODMEESA-N 2 1 349.906 3.495 20 0 EGADMP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC(F)F ZINC000105443711 1293036899 /nfs/dbraw/zinc/03/68/99/1293036899.db2.gz GOSRUDVGGSSZDD-LBPRGKRZSA-N 2 1 339.386 3.227 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000108428723 1293081231 /nfs/dbraw/zinc/08/12/31/1293081231.db2.gz RALZCRJQJADOGI-INIZCTEOSA-N 2 1 330.451 3.060 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000108428723 1293081239 /nfs/dbraw/zinc/08/12/39/1293081239.db2.gz RALZCRJQJADOGI-INIZCTEOSA-N 2 1 330.451 3.060 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CCCc2cccnc2)cn1 ZINC000834522567 1293109843 /nfs/dbraw/zinc/10/98/43/1293109843.db2.gz DRXMOWVOOBZVRW-MRXNPFEDSA-N 2 1 335.455 3.472 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)cn1 ZINC000121168571 1293358612 /nfs/dbraw/zinc/35/86/12/1293358612.db2.gz YBCBAQOLGHLFBC-HNNXBMFYSA-N 2 1 349.438 3.083 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[S@](=O)C(C)(C)C)cc1 ZINC000127405992 1293563084 /nfs/dbraw/zinc/56/30/84/1293563084.db2.gz DHHVTWDWKUTZLQ-QKFKETGDSA-N 2 1 333.501 3.379 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cc3ccccc3s2)CC1 ZINC000132100342 1293709209 /nfs/dbraw/zinc/70/92/09/1293709209.db2.gz PUPODLWTDMVBNV-UHFFFAOYSA-N 2 1 331.529 3.265 20 0 EGADMP C[C@H](Cn1cccn1)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000137872997 1293831777 /nfs/dbraw/zinc/83/17/77/1293831777.db2.gz DERYYPUPIJRWFG-QGZVFWFLSA-N 2 1 341.503 3.162 20 0 EGADMP CC[C@@H](C[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)[NH+]1CCCC1 ZINC000151696547 1293935202 /nfs/dbraw/zinc/93/52/02/1293935202.db2.gz ANWWSCFUJNLUSZ-IBGZPJMESA-N 2 1 344.547 3.185 20 0 EGADMP C([NH2+]C1CCC2(CC1)OCCO2)[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000161426741 1294291995 /nfs/dbraw/zinc/29/19/95/1294291995.db2.gz MZNCFZPVOIZNAB-LJQANCHMSA-N 2 1 336.520 3.306 20 0 EGADMP C[C@@H](CC[NH3+])[NH2+]Cc1cc(Br)ccc1Br ZINC000164518100 1294348900 /nfs/dbraw/zinc/34/89/00/1294348900.db2.gz NBRQPTFXBSRRSZ-QMMMGPOBSA-N 2 1 336.071 3.039 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000164607695 1294350982 /nfs/dbraw/zinc/35/09/82/1294350982.db2.gz CBOGJVAJKIQIAO-MOPGFXCFSA-N 2 1 331.504 3.051 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](C2OCCO2)C1 ZINC000179371981 1294789718 /nfs/dbraw/zinc/78/97/18/1294789718.db2.gz UGAJMPYBNRVVAV-IBGZPJMESA-N 2 1 346.515 3.230 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000179371981 1294789732 /nfs/dbraw/zinc/78/97/32/1294789732.db2.gz UGAJMPYBNRVVAV-IBGZPJMESA-N 2 1 346.515 3.230 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000179371981 1294789742 /nfs/dbraw/zinc/78/97/42/1294789742.db2.gz UGAJMPYBNRVVAV-IBGZPJMESA-N 2 1 346.515 3.230 20 0 EGADMP COc1cc(Cl)cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1O ZINC000184698669 1295212164 /nfs/dbraw/zinc/21/21/64/1295212164.db2.gz VXECNWDDUWOYHP-HNNXBMFYSA-N 2 1 326.868 3.360 20 0 EGADMP COc1cc(Cl)cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1O ZINC000184698669 1295212172 /nfs/dbraw/zinc/21/21/72/1295212172.db2.gz VXECNWDDUWOYHP-HNNXBMFYSA-N 2 1 326.868 3.360 20 0 EGADMP COc1cc(Cl)cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1O ZINC000184698669 1295212178 /nfs/dbraw/zinc/21/21/78/1295212178.db2.gz VXECNWDDUWOYHP-HNNXBMFYSA-N 2 1 326.868 3.360 20 0 EGADMP COc1cc(Cl)cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1O ZINC000184698669 1295212185 /nfs/dbraw/zinc/21/21/85/1295212185.db2.gz VXECNWDDUWOYHP-HNNXBMFYSA-N 2 1 326.868 3.360 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000185233665 1295250295 /nfs/dbraw/zinc/25/02/95/1295250295.db2.gz YKIYOPNQSSZTOL-ROUUACIJSA-N 2 1 326.525 3.058 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC[NH2+]CC3CC3)cc2)C1 ZINC000870865963 1296121271 /nfs/dbraw/zinc/12/12/71/1296121271.db2.gz IQZWBDMLGOFSIG-MRXNPFEDSA-N 2 1 329.488 3.247 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])CC3)cc2)C1 ZINC000870866445 1296121406 /nfs/dbraw/zinc/12/14/06/1296121406.db2.gz WHEMDKYOAUHKPL-RYQLBKOJSA-N 2 1 329.488 3.375 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000870865665 1296121589 /nfs/dbraw/zinc/12/15/89/1296121589.db2.gz BOZOZIDAWBUFBP-VDGAXYAQSA-N 2 1 343.515 3.195 20 0 EGADMP c1ccc(CN2CCC([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000236718456 1296198877 /nfs/dbraw/zinc/19/88/77/1296198877.db2.gz IGANDMJIWJYNIG-UHFFFAOYSA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(COc2cccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)c2)nc1 ZINC000236727111 1296199167 /nfs/dbraw/zinc/19/91/67/1296199167.db2.gz PLFDBCIZYGPNIV-SFHVURJKSA-N 2 1 337.467 3.235 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000237157880 1296223045 /nfs/dbraw/zinc/22/30/45/1296223045.db2.gz ALFHVPAYXFLRRM-UHFFFAOYSA-N 2 1 331.548 3.347 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000248180451 1296408068 /nfs/dbraw/zinc/40/80/68/1296408068.db2.gz YIHJFEVUAWZXHR-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000248180451 1296408073 /nfs/dbraw/zinc/40/80/73/1296408073.db2.gz YIHJFEVUAWZXHR-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000248180451 1296408076 /nfs/dbraw/zinc/40/80/76/1296408076.db2.gz YIHJFEVUAWZXHR-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261538174 1296594193 /nfs/dbraw/zinc/59/41/93/1296594193.db2.gz NLFBLYFONNBMLP-UWHLTILDSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261538174 1296594204 /nfs/dbraw/zinc/59/42/04/1296594204.db2.gz NLFBLYFONNBMLP-UWHLTILDSA-N 2 1 327.516 3.161 20 0 EGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CCCC1 ZINC000305462845 1297014791 /nfs/dbraw/zinc/01/47/91/1297014791.db2.gz NLYWOMNKFHIKTK-CVEARBPZSA-N 2 1 339.524 3.286 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000311238652 1297105315 /nfs/dbraw/zinc/10/53/15/1297105315.db2.gz VISBVLOFRWKYPE-UWHLTILDSA-N 2 1 346.515 3.071 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(OC(F)F)cc1OC(F)F ZINC000326368531 1297236145 /nfs/dbraw/zinc/23/61/45/1297236145.db2.gz DSZJAAKMOJSOTI-UHFFFAOYSA-N 2 1 347.312 3.184 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000345788061 1297339466 /nfs/dbraw/zinc/33/94/66/1297339466.db2.gz CFINRUKTJOSVMQ-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000345788061 1297339482 /nfs/dbraw/zinc/33/94/82/1297339482.db2.gz CFINRUKTJOSVMQ-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000345788061 1297339496 /nfs/dbraw/zinc/33/94/96/1297339496.db2.gz CFINRUKTJOSVMQ-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP COc1cc(C[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc(OC)c1 ZINC000873202820 1297347221 /nfs/dbraw/zinc/34/72/21/1297347221.db2.gz FFKNLMLSIXDYBH-UHFFFAOYSA-N 2 1 332.469 3.043 20 0 EGADMP COc1c(C)c[nH+]c(CN(C)Cc2cc3c(s2)CC[NH2+]C3)c1C ZINC000873208802 1297352344 /nfs/dbraw/zinc/35/23/44/1297352344.db2.gz GWKRAPPXXCLPQF-UHFFFAOYSA-N 2 1 331.485 3.046 20 0 EGADMP c1c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)sc2c1C[NH2+]CC2 ZINC000873212643 1297355610 /nfs/dbraw/zinc/35/56/10/1297355610.db2.gz NYNZFEGWWYSGRZ-UHFFFAOYSA-N 3 1 341.524 3.148 20 0 EGADMP c1c(CNC2CC[NH+](Cc3ccccc3)CC2)sc2c1C[NH2+]CC2 ZINC000873212643 1297355626 /nfs/dbraw/zinc/35/56/26/1297355626.db2.gz NYNZFEGWWYSGRZ-UHFFFAOYSA-N 2 1 341.524 3.148 20 0 EGADMP COC[C@H]([NH2+][C@H](C)C[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000873222783 1297363061 /nfs/dbraw/zinc/36/30/61/1297363061.db2.gz FTPSUCKCBXXUNH-WQVCFCJDSA-N 2 1 341.293 3.257 20 0 EGADMP C[C@@H]([NH2+]Cc1cc(N)cc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873288817 1297411330 /nfs/dbraw/zinc/41/13/30/1297411330.db2.gz MALHFPZEFGDZBU-QAPCUYQASA-N 2 1 327.447 3.408 20 0 EGADMP C[C@@H](CC[NH2+]C[C@H](O)c1c(F)cccc1F)[N@H+](C)Cc1ccccc1 ZINC000379630902 1297534336 /nfs/dbraw/zinc/53/43/36/1297534336.db2.gz LKZGDFAIEQQQJS-KXBFYZLASA-N 2 1 348.437 3.498 20 0 EGADMP C[C@@H](CC[NH2+]C[C@H](O)c1c(F)cccc1F)[N@@H+](C)Cc1ccccc1 ZINC000379630902 1297534340 /nfs/dbraw/zinc/53/43/40/1297534340.db2.gz LKZGDFAIEQQQJS-KXBFYZLASA-N 2 1 348.437 3.498 20 0 EGADMP C[C@H]1CCC[C@@](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)([NH+](C)C)C1 ZINC000380207772 1297544644 /nfs/dbraw/zinc/54/46/44/1297544644.db2.gz SRONGKSRWVKLIW-HNAYVOBHSA-N 2 1 341.540 3.390 20 0 EGADMP COC(=O)/C(C)=C\C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000381382637 1297551120 /nfs/dbraw/zinc/55/11/20/1297551120.db2.gz PSSYUZJGWQEBRF-LSCVHKIXSA-N 2 1 342.483 3.094 20 0 EGADMP CC(C)(C)[NH2+]CCC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000381179003 1297552073 /nfs/dbraw/zinc/55/20/73/1297552073.db2.gz PVNGHDLDBDSQLX-LJQANCHMSA-N 2 1 345.531 3.183 20 0 EGADMP c1ccc(C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc2)cc1 ZINC000393048622 1297662548 /nfs/dbraw/zinc/66/25/48/1297662548.db2.gz KVECPYGUQFKIDT-FKBYEOEOSA-N 2 1 336.479 3.423 20 0 EGADMP c1ccc(C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c2ccccc2)cc1 ZINC000393048622 1297662553 /nfs/dbraw/zinc/66/25/53/1297662553.db2.gz KVECPYGUQFKIDT-FKBYEOEOSA-N 2 1 336.479 3.423 20 0 EGADMP CC(C)(C)OC(=O)NC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000393925766 1297673499 /nfs/dbraw/zinc/67/34/99/1297673499.db2.gz BIYKDTKSRAATLT-GQGLESIBSA-N 2 1 337.508 3.039 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cn2ccccc2n1 ZINC000398124794 1297712719 /nfs/dbraw/zinc/71/27/19/1297712719.db2.gz HWMUCSCQBSAHSN-PXNSSMCTSA-N 2 1 334.467 3.335 20 0 EGADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCCCC[NH3+] ZINC000404381525 1297750306 /nfs/dbraw/zinc/75/03/06/1297750306.db2.gz LHUMLKJTRFHAFP-IPMKNSEASA-N 2 1 345.531 3.406 20 0 EGADMP CCOC(=O)[C@H](C)[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000691877289 1298139656 /nfs/dbraw/zinc/13/96/56/1298139656.db2.gz XWUFMPCSSVGVFB-SFHVURJKSA-N 2 1 344.499 3.316 20 0 EGADMP CC(C)[NH+](CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C(C)C ZINC000692154435 1298140742 /nfs/dbraw/zinc/14/07/42/1298140742.db2.gz RVQQVDJRDJJEBR-SJORKVTESA-N 2 1 341.540 3.483 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000692150756 1298140933 /nfs/dbraw/zinc/14/09/33/1298140933.db2.gz GZGNRMRFUKESPH-PMPSAXMXSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000692150756 1298140938 /nfs/dbraw/zinc/14/09/38/1298140938.db2.gz GZGNRMRFUKESPH-PMPSAXMXSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000700799537 1298180324 /nfs/dbraw/zinc/18/03/24/1298180324.db2.gz ITCAGAQIHUPHFD-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000704493333 1298207853 /nfs/dbraw/zinc/20/78/53/1298207853.db2.gz FBFARANFGONLLD-RTBURBONSA-N 2 1 345.531 3.167 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+][C@H](C3CC3)[C@H]3CCCOC3)CC2)cc1 ZINC000723947656 1298342508 /nfs/dbraw/zinc/34/25/08/1298342508.db2.gz MAHMGKOTSZNDBY-PZJWPPBQSA-N 2 1 328.500 3.446 20 0 EGADMP CC[NH+](CC)CC1CC[NH+](Cc2cccnc2Br)CC1 ZINC000876576784 1298842553 /nfs/dbraw/zinc/84/25/53/1298842553.db2.gz PLMKQNZDUPMEGR-UHFFFAOYSA-N 2 1 340.309 3.398 20 0 EGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000876781135 1298982708 /nfs/dbraw/zinc/98/27/08/1298982708.db2.gz CWLNSMQBLCODJD-DNVCBOLYSA-N 2 1 335.923 3.106 20 0 EGADMP Cc1c(Cl)cccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000876781135 1298982712 /nfs/dbraw/zinc/98/27/12/1298982712.db2.gz CWLNSMQBLCODJD-DNVCBOLYSA-N 2 1 335.923 3.106 20 0 EGADMP Clc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000876903329 1299057428 /nfs/dbraw/zinc/05/74/28/1299057428.db2.gz VCSPZZUZMGOKLR-UHFFFAOYSA-N 2 1 330.863 3.406 20 0 EGADMP O[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccco1 ZINC000876916447 1299066245 /nfs/dbraw/zinc/06/62/45/1299066245.db2.gz BQHRNQMXGIBYNO-QXAKKESOSA-N 2 1 326.440 3.271 20 0 EGADMP O[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccco1 ZINC000876916447 1299066250 /nfs/dbraw/zinc/06/62/50/1299066250.db2.gz BQHRNQMXGIBYNO-QXAKKESOSA-N 2 1 326.440 3.271 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)CC1 ZINC000876941561 1299077850 /nfs/dbraw/zinc/07/78/50/1299077850.db2.gz NSRRNDFBAGWMKH-PORCLINASA-N 2 1 347.547 3.045 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCCCCC[NH+](C)C)C[C@@H]1C ZINC000748961880 1299117392 /nfs/dbraw/zinc/11/73/92/1299117392.db2.gz XOXSYLNZLIMRAK-ROUUACIJSA-N 2 1 340.556 3.013 20 0 EGADMP C[C@](O)(C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccco1 ZINC000877072800 1299144195 /nfs/dbraw/zinc/14/41/95/1299144195.db2.gz VXOAMKRRZPDLNT-CUWPLCDZSA-N 2 1 340.467 3.445 20 0 EGADMP C[C@](O)(C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccco1 ZINC000877072800 1299144196 /nfs/dbraw/zinc/14/41/96/1299144196.db2.gz VXOAMKRRZPDLNT-CUWPLCDZSA-N 2 1 340.467 3.445 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000749948731 1299307815 /nfs/dbraw/zinc/30/78/15/1299307815.db2.gz AFCIJVDIUQRYML-VQTJNVASSA-N 2 1 343.515 3.319 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000749948731 1299307829 /nfs/dbraw/zinc/30/78/29/1299307829.db2.gz AFCIJVDIUQRYML-VQTJNVASSA-N 2 1 343.515 3.319 20 0 EGADMP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000878167717 1299792865 /nfs/dbraw/zinc/79/28/65/1299792865.db2.gz YRTZXLNZBDTFIJ-MJGOQNOKSA-N 2 1 331.504 3.010 20 0 EGADMP O[C@@H](C[NH2+][C@H](Cc1ccccc1)c1cccs1)C[NH+]1CCCC1 ZINC000754370171 1300132260 /nfs/dbraw/zinc/13/22/60/1300132260.db2.gz WWYZJGAFBSWAFN-ZWKOTPCHSA-N 2 1 330.497 3.078 20 0 EGADMP CN(CCC[NH+]1CCC(C)([NH+]2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000879202116 1300426026 /nfs/dbraw/zinc/42/60/26/1300426026.db2.gz CPLGRQXWNBBZSK-UHFFFAOYSA-N 2 1 339.524 3.194 20 0 EGADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CCC[NH+]2CCCC2)cn1 ZINC000756104334 1300439375 /nfs/dbraw/zinc/43/93/75/1300439375.db2.gz GRZZVQACSIQPBC-UHFFFAOYSA-N 2 1 334.464 3.004 20 0 EGADMP O[C@H](C[N@H+](CCc1cccc(F)c1)C1CCCC1)C[NH+]1CCCC1 ZINC000757398054 1300670471 /nfs/dbraw/zinc/67/04/71/1300670471.db2.gz BHYWRWJIVOCYPH-FQEVSTJZSA-N 2 1 334.479 3.070 20 0 EGADMP O[C@H](C[N@@H+](CCc1cccc(F)c1)C1CCCC1)C[NH+]1CCCC1 ZINC000757398054 1300670476 /nfs/dbraw/zinc/67/04/76/1300670476.db2.gz BHYWRWJIVOCYPH-FQEVSTJZSA-N 2 1 334.479 3.070 20 0 EGADMP C[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000759153998 1301027408 /nfs/dbraw/zinc/02/74/08/1301027408.db2.gz RDDCECKIFWTURY-LRDDRELGSA-N 2 1 331.287 3.300 20 0 EGADMP C[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000759153998 1301027418 /nfs/dbraw/zinc/02/74/18/1301027418.db2.gz RDDCECKIFWTURY-LRDDRELGSA-N 2 1 331.287 3.300 20 0 EGADMP C[NH+](C[C@H](O)c1ccc(Cl)cc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000759153998 1301027429 /nfs/dbraw/zinc/02/74/29/1301027429.db2.gz RDDCECKIFWTURY-LRDDRELGSA-N 2 1 331.287 3.300 20 0 EGADMP C[NH+](C[C@H](O)c1ccc(Cl)cc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000759153998 1301027437 /nfs/dbraw/zinc/02/74/37/1301027437.db2.gz RDDCECKIFWTURY-LRDDRELGSA-N 2 1 331.287 3.300 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+]4CCCC4)C3)C2)cc1 ZINC000760842863 1301350968 /nfs/dbraw/zinc/35/09/68/1301350968.db2.gz KUPBZILYHJNKLN-NRFANRHFSA-N 2 1 327.516 3.070 20 0 EGADMP CC(C)c1ccc(C[C@H]2CC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000763961459 1301990300 /nfs/dbraw/zinc/99/03/00/1301990300.db2.gz FRGDLGIZSMSCKZ-TZIWHRDSSA-N 2 1 330.516 3.131 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)cc1 ZINC000883461835 1302452312 /nfs/dbraw/zinc/45/23/12/1302452312.db2.gz DYMQQHJDBYDERT-WOJBJXKFSA-N 2 1 346.515 3.266 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000883570630 1302506407 /nfs/dbraw/zinc/50/64/07/1302506407.db2.gz JDUQEIQACOTLKS-INIZCTEOSA-N 2 1 338.455 3.056 20 0 EGADMP CC(C)[C@H](C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000769685778 1303157658 /nfs/dbraw/zinc/15/76/58/1303157658.db2.gz UEPUHNONGQBEBO-IKGGRYGDSA-N 2 1 341.540 3.388 20 0 EGADMP O=C(OCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000770382406 1303258556 /nfs/dbraw/zinc/25/85/56/1303258556.db2.gz ODXUAUJOIWQOGO-GOSISDBHSA-N 2 1 348.462 3.067 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)[C@H]2c2ccccc2)CC1 ZINC000886545650 1303494968 /nfs/dbraw/zinc/49/49/68/1303494968.db2.gz PLMMQVSIAPYZET-UTKZUKDTSA-N 2 1 343.515 3.059 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000886606953 1303521492 /nfs/dbraw/zinc/52/14/92/1303521492.db2.gz IWFKUKNCZJRGJC-CEXWTWQISA-N 2 1 344.499 3.218 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000886606953 1303521497 /nfs/dbraw/zinc/52/14/97/1303521497.db2.gz IWFKUKNCZJRGJC-CEXWTWQISA-N 2 1 344.499 3.218 20 0 EGADMP C[NH+](C)[C@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000774981250 1303885292 /nfs/dbraw/zinc/88/52/92/1303885292.db2.gz XZBZTNAWWBXMBF-MRXNPFEDSA-N 2 1 327.513 3.001 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cn1 ZINC000775376120 1303948860 /nfs/dbraw/zinc/94/88/60/1303948860.db2.gz ONSHPYQCKBCFRD-HLLBOEOZSA-N 2 1 346.525 3.045 20 0 EGADMP CCCCC[C@H](CC)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000775671187 1304012037 /nfs/dbraw/zinc/01/20/37/1304012037.db2.gz XWBMSDVUZYLNTE-INIZCTEOSA-N 2 1 332.492 3.378 20 0 EGADMP C[C@@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)CC[N@H+]1C ZINC000777299071 1304279982 /nfs/dbraw/zinc/27/99/82/1304279982.db2.gz AFPQPTBHIUCEPY-AEFFLSMTSA-N 2 1 330.520 3.112 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000779344886 1304559436 /nfs/dbraw/zinc/55/94/36/1304559436.db2.gz KZHFYYNIZRBXMR-NRFANRHFSA-N 2 1 345.506 3.379 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCOc2cccnc2)C3)cc1 ZINC000779439258 1304572042 /nfs/dbraw/zinc/57/20/42/1304572042.db2.gz VACSIHIUIXNQKG-OWZKRDHZSA-N 2 1 337.467 3.246 20 0 EGADMP CC(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000781421349 1304825303 /nfs/dbraw/zinc/82/53/03/1304825303.db2.gz PVXOLJAHFUVQCT-UWHLTILDSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cnn(C)c2C2CC2)C1 ZINC000891823347 1305179714 /nfs/dbraw/zinc/17/97/14/1305179714.db2.gz QPRMTCGSWLODKZ-DLBZAZTESA-N 2 1 330.520 3.384 20 0 EGADMP COCCOC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000892580139 1305451667 /nfs/dbraw/zinc/45/16/67/1305451667.db2.gz HBPAVGTWGNXNDD-ZWKOTPCHSA-N 2 1 334.504 3.060 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000892759392 1305542739 /nfs/dbraw/zinc/54/27/39/1305542739.db2.gz SOYIYEKJPIEIIY-UHFFFAOYSA-N 2 1 328.641 3.397 20 0 EGADMP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1)C(C)C ZINC000786836970 1305640267 /nfs/dbraw/zinc/64/02/67/1305640267.db2.gz QYNCWHBOZNRBCY-QGZVFWFLSA-N 2 1 346.519 3.376 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(C)cc(C)c2)[C@H](C)C1 ZINC000787302646 1305729270 /nfs/dbraw/zinc/72/92/70/1305729270.db2.gz JPAAHOHJCNTEIR-GIVPXCGWSA-N 2 1 348.531 3.063 20 0 EGADMP C[NH+](C)CC1(C[NH2+]Cc2cnc(CC(F)(F)F)s2)CCCC1 ZINC000893588734 1305977847 /nfs/dbraw/zinc/97/78/47/1305977847.db2.gz ULMSDXRXUBZLAJ-UHFFFAOYSA-N 2 1 335.439 3.460 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(CC)cc2)[C@@H](C)C1 ZINC000789385200 1306152167 /nfs/dbraw/zinc/15/21/67/1306152167.db2.gz XSSHSKAADXGGOI-DZFGPLHGSA-N 2 1 348.531 3.009 20 0 EGADMP Cc1ncoc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000894093871 1306213969 /nfs/dbraw/zinc/21/39/69/1306213969.db2.gz IYWVHQQORMYHES-RBUKOAKNSA-N 2 1 325.456 3.470 20 0 EGADMP Cn1cc(C[N@H+](Cc2ccc(Cl)cc2)CC2CC[NH+](C)CC2)cn1 ZINC000894201642 1306273459 /nfs/dbraw/zinc/27/34/59/1306273459.db2.gz POEBCNBZQQLSNM-UHFFFAOYSA-N 2 1 346.906 3.418 20 0 EGADMP C[C@H](CC[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1)[NH+](C)C ZINC000895429650 1309333878 /nfs/dbraw/zinc/33/38/78/1309333878.db2.gz RRSGYQDTVXFRQG-OAHLLOKOSA-N 2 1 335.492 3.141 20 0 EGADMP Cc1ccc(C2=NO[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1C ZINC000895496706 1309372033 /nfs/dbraw/zinc/37/20/33/1309372033.db2.gz AHJJKROOTBMPOT-OTWHNJEPSA-N 2 1 327.472 3.013 20 0 EGADMP Cc1ccc(C2=NO[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1C ZINC000895496706 1309372039 /nfs/dbraw/zinc/37/20/39/1309372039.db2.gz AHJJKROOTBMPOT-OTWHNJEPSA-N 2 1 327.472 3.013 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000895607719 1309426514 /nfs/dbraw/zinc/42/65/14/1309426514.db2.gz UQKWGGARWKWTDR-WOJBJXKFSA-N 2 1 337.467 3.380 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccccc1 ZINC000895971349 1309618882 /nfs/dbraw/zinc/61/88/82/1309618882.db2.gz JYFGMSVWHHDNEP-OALUTQOASA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[C@@H]1c1ccccc1 ZINC000895971349 1309618894 /nfs/dbraw/zinc/61/88/94/1309618894.db2.gz JYFGMSVWHHDNEP-OALUTQOASA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@@H]1c1ccccc1 ZINC000895971349 1309618900 /nfs/dbraw/zinc/61/89/00/1309618900.db2.gz JYFGMSVWHHDNEP-OALUTQOASA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](CC)[C@H](C[NH2+]CC1CCC2(CC1)OCCO2)CC(C)C ZINC000795893269 1309855616 /nfs/dbraw/zinc/85/56/16/1309855616.db2.gz BMJSREZXJVGASO-SFHVURJKSA-N 2 1 326.525 3.266 20 0 EGADMP Cc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc(Cl)n1 ZINC000797592214 1310216655 /nfs/dbraw/zinc/21/66/55/1310216655.db2.gz QFEGLYMWRRVTFD-UHFFFAOYSA-N 2 1 337.895 3.120 20 0 EGADMP Cc1cc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc(Cl)n1 ZINC000797600717 1310219748 /nfs/dbraw/zinc/21/97/48/1310219748.db2.gz CVNWTQIPGJQNKP-UHFFFAOYSA-N 2 1 345.878 3.209 20 0 EGADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000897362782 1310308151 /nfs/dbraw/zinc/30/81/51/1310308151.db2.gz CDLVEKJDMQEKCT-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H]1C[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000898392397 1310708027 /nfs/dbraw/zinc/70/80/27/1310708027.db2.gz RXLNNGZIGVOJKC-ZHODDXKCSA-N 2 1 336.479 3.287 20 0 EGADMP C[C@H]1C[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000898392397 1310708036 /nfs/dbraw/zinc/70/80/36/1310708036.db2.gz RXLNNGZIGVOJKC-ZHODDXKCSA-N 2 1 336.479 3.287 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000839180004 1320887195 /nfs/dbraw/zinc/88/71/95/1320887195.db2.gz BPBDBPKEVJJBJO-HNNXBMFYSA-N 2 1 348.491 3.250 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857261710 1328525602 /nfs/dbraw/zinc/52/56/02/1328525602.db2.gz XYBAFMMXIKYLNF-YLJYHZDGSA-N 2 1 345.531 3.346 20 0 EGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857261710 1328525603 /nfs/dbraw/zinc/52/56/03/1328525603.db2.gz XYBAFMMXIKYLNF-YLJYHZDGSA-N 2 1 345.531 3.346 20 0 EGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857261710 1328525604 /nfs/dbraw/zinc/52/56/04/1328525604.db2.gz XYBAFMMXIKYLNF-YLJYHZDGSA-N 2 1 345.531 3.346 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001018991085 1316995879 /nfs/dbraw/zinc/99/58/79/1316995879.db2.gz XOKGBXOOCCIEHP-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001019241519 1317119758 /nfs/dbraw/zinc/11/97/58/1317119758.db2.gz DIZLJVHHZITYGK-RCCFBDPRSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)c1cccc(Cl)c1 ZINC001019259632 1317132630 /nfs/dbraw/zinc/13/26/30/1317132630.db2.gz UUQLSCUKFQECST-WBAXXEDZSA-N 2 1 349.906 3.076 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(CC)C1C[NH+](C[C@H](C)CC)C1 ZINC000957113862 1317195567 /nfs/dbraw/zinc/19/55/67/1317195567.db2.gz ULCUVSAQCDJJJJ-IEBWSBKVSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001019381472 1317205853 /nfs/dbraw/zinc/20/58/53/1317205853.db2.gz JTSDJOIFYWCAJN-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)CC1 ZINC000901188631 1317391638 /nfs/dbraw/zinc/39/16/38/1317391638.db2.gz VMQXBTWKIIPZOA-GUMHCPJTSA-N 2 1 347.547 3.163 20 0 EGADMP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901291123 1317401386 /nfs/dbraw/zinc/40/13/86/1317401386.db2.gz FJRUDIBKNHCKKO-WOJBJXKFSA-N 2 1 341.499 3.280 20 0 EGADMP CC[N@@H+](CC1CCCC1)CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000957720547 1317588259 /nfs/dbraw/zinc/58/82/59/1317588259.db2.gz RCIKLWIBYGCQGQ-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1cn(C)nn1 ZINC000902747513 1317612644 /nfs/dbraw/zinc/61/26/44/1317612644.db2.gz GCAGHXBBNIKALZ-ZACQAIPSSA-N 2 1 341.503 3.144 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1cn(C)nn1 ZINC000902779084 1317615529 /nfs/dbraw/zinc/61/55/29/1317615529.db2.gz MQHYKGZFTHGDQM-INIZCTEOSA-N 2 1 327.476 3.042 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CN2C[C@@](C)(CC)CC2=O)CC1)CC1CC1 ZINC000808174367 1317638677 /nfs/dbraw/zinc/63/86/77/1317638677.db2.gz GHEFRBRLTFMZGA-NRFANRHFSA-N 2 1 349.563 3.427 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)cc1 ZINC000903057650 1317643906 /nfs/dbraw/zinc/64/39/06/1317643906.db2.gz KAXKFEAKXCWUJI-GAUHOVIDSA-N 2 1 325.500 3.008 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cc1 ZINC000903057650 1317643911 /nfs/dbraw/zinc/64/39/11/1317643911.db2.gz KAXKFEAKXCWUJI-GAUHOVIDSA-N 2 1 325.500 3.008 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903057650 1317643917 /nfs/dbraw/zinc/64/39/17/1317643917.db2.gz KAXKFEAKXCWUJI-GAUHOVIDSA-N 2 1 325.500 3.008 20 0 EGADMP c1ccc(CN2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cc1 ZINC000903057650 1317643920 /nfs/dbraw/zinc/64/39/20/1317643920.db2.gz KAXKFEAKXCWUJI-GAUHOVIDSA-N 2 1 325.500 3.008 20 0 EGADMP c1ccc(CN2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903057650 1317643923 /nfs/dbraw/zinc/64/39/23/1317643923.db2.gz KAXKFEAKXCWUJI-GAUHOVIDSA-N 2 1 325.500 3.008 20 0 EGADMP COc1cc2c(cc1C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)O[C@@H](C)C2 ZINC000903067609 1317646399 /nfs/dbraw/zinc/64/63/99/1317646399.db2.gz RJMJLQHQAOXZNX-HMZLUNFSSA-N 2 1 342.483 3.266 20 0 EGADMP COc1cc2c(cc1C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)O[C@@H](C)C2 ZINC000903067609 1317646405 /nfs/dbraw/zinc/64/64/05/1317646405.db2.gz RJMJLQHQAOXZNX-HMZLUNFSSA-N 2 1 342.483 3.266 20 0 EGADMP c1ccc2c(c1)CCCN2CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903084025 1317649030 /nfs/dbraw/zinc/64/90/30/1317649030.db2.gz TUXKZFQWXSRHJY-CTXDPNEZSA-N 2 1 325.500 3.187 20 0 EGADMP COc1cccc(O[C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903103129 1317653133 /nfs/dbraw/zinc/65/31/33/1317653133.db2.gz FGUBXKXLVBKNTG-DUZACMNTSA-N 2 1 330.472 3.210 20 0 EGADMP Cc1ccc(C2CC([NH2+][C@@H]3C[C@@]4(C[N@H+](C)[C@@H]4C(C)C)C[C@H]3O)C2)cc1 ZINC000903115132 1317655922 /nfs/dbraw/zinc/65/59/22/1317655922.db2.gz LTEHOOOQUAFMKV-LXIAHWLOSA-N 2 1 342.527 3.310 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C2 ZINC000903115489 1317656279 /nfs/dbraw/zinc/65/62/79/1317656279.db2.gz BVGPSAOSTKDDIQ-RNEPCJONSA-N 2 1 338.442 3.095 20 0 EGADMP COC(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903171381 1317667820 /nfs/dbraw/zinc/66/78/20/1317667820.db2.gz OMTHPWVAAALPFF-ZNXRZULTSA-N 2 1 329.444 3.112 20 0 EGADMP O[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C1CC1 ZINC000903404823 1317697049 /nfs/dbraw/zinc/69/70/49/1317697049.db2.gz ADPGABBSYGSIGF-MXEMCNAFSA-N 2 1 328.500 3.180 20 0 EGADMP c1ccc2c(c1)cccc2C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508735 1317706293 /nfs/dbraw/zinc/70/62/93/1317706293.db2.gz SRUIBTVYBCTOFK-OYRHEFFESA-N 2 1 335.495 3.240 20 0 EGADMP c1ccc2c(c1)cccc2CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903508735 1317706298 /nfs/dbraw/zinc/70/62/98/1317706298.db2.gz SRUIBTVYBCTOFK-OYRHEFFESA-N 2 1 335.495 3.240 20 0 EGADMP c1ccc2c(c1)cccc2CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903508735 1317706304 /nfs/dbraw/zinc/70/63/04/1317706304.db2.gz SRUIBTVYBCTOFK-OYRHEFFESA-N 2 1 335.495 3.240 20 0 EGADMP CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718870 1317724425 /nfs/dbraw/zinc/72/44/25/1317724425.db2.gz SMOUOOJSFZQUSA-ZDUSSCGKSA-N 2 1 328.909 3.382 20 0 EGADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729072 1317726424 /nfs/dbraw/zinc/72/64/24/1317726424.db2.gz JKFWFLFODOGECS-VQTJNVASSA-N 2 1 328.500 3.161 20 0 EGADMP COc1ccccc1[C@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729402 1317727473 /nfs/dbraw/zinc/72/74/73/1317727473.db2.gz MEGMHWFJGTWZED-PKOBYXMFSA-N 2 1 344.499 3.381 20 0 EGADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903731768 1317727624 /nfs/dbraw/zinc/72/76/24/1317727624.db2.gz CQUOXDDSDYGXKP-GUDVDZBRSA-N 2 1 328.500 3.332 20 0 EGADMP CN(C)c1cccc([C@H]2CCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903740902 1317728462 /nfs/dbraw/zinc/72/84/62/1317728462.db2.gz ZYDULCNVFSAFGD-VQTJNVASSA-N 2 1 343.515 3.048 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001020511969 1317735311 /nfs/dbraw/zinc/73/53/11/1317735311.db2.gz IOCZUTUZHYNEDT-LPBINRMYSA-N 2 1 343.515 3.023 20 0 EGADMP COc1ccc([C@@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000903879059 1317741014 /nfs/dbraw/zinc/74/10/14/1317741014.db2.gz QZLGTBBYBRZRAQ-ONQFOCNCSA-N 2 1 330.472 3.371 20 0 EGADMP Cc1cccc([C@@H]2CCC[N@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1C ZINC000903894913 1317743854 /nfs/dbraw/zinc/74/38/54/1317743854.db2.gz HLGHOMDKZXYRGL-XLIONFOSSA-N 2 1 339.487 3.157 20 0 EGADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCCC[C@@H]2c2ccccc2)cnn1C ZINC000903905464 1317746486 /nfs/dbraw/zinc/74/64/86/1317746486.db2.gz GOQDIBHFXLITSR-FXAWDEMLSA-N 2 1 326.488 3.073 20 0 EGADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903973121 1317759468 /nfs/dbraw/zinc/75/94/68/1317759468.db2.gz ORYYEHGQOANLAP-UFYCRDLUSA-N 2 1 328.500 3.379 20 0 EGADMP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001020591483 1317792448 /nfs/dbraw/zinc/79/24/48/1317792448.db2.gz OVGUIRJORUBQCE-NCXUSEDFSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@]1(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)CCC[NH2+]C1 ZINC000904335219 1317833042 /nfs/dbraw/zinc/83/30/42/1317833042.db2.gz AMVGLEHFGJSZPR-IBGZPJMESA-N 2 1 336.426 3.249 20 0 EGADMP CC[C@H](C)C[C@H]([NH3+])c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000904603164 1317867702 /nfs/dbraw/zinc/86/77/02/1317867702.db2.gz CRBCGPWDNVBAFZ-ZFWWWQNUSA-N 2 1 332.448 3.113 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001021254027 1318159846 /nfs/dbraw/zinc/15/98/46/1318159846.db2.gz FNXUNUOLONAJSY-IPQPSQTFSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001021254027 1318159848 /nfs/dbraw/zinc/15/98/48/1318159848.db2.gz FNXUNUOLONAJSY-IPQPSQTFSA-N 2 1 349.563 3.407 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001021302536 1318178579 /nfs/dbraw/zinc/17/85/79/1318178579.db2.gz JTYBQFBCMHTPOP-NXEWRWPSSA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001021302536 1318178583 /nfs/dbraw/zinc/17/85/83/1318178583.db2.gz JTYBQFBCMHTPOP-NXEWRWPSSA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001021302536 1318178584 /nfs/dbraw/zinc/17/85/84/1318178584.db2.gz JTYBQFBCMHTPOP-NXEWRWPSSA-N 2 1 345.531 3.083 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC000959928382 1318269449 /nfs/dbraw/zinc/26/94/49/1318269449.db2.gz YUABMCGFUHLNCY-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000960088032 1318345849 /nfs/dbraw/zinc/34/58/49/1318345849.db2.gz TXADNSVWOWZGPY-WSTZPKSXSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000960154565 1318388542 /nfs/dbraw/zinc/38/85/42/1318388542.db2.gz HNPDJVJTIMCPCI-LPHOPBHVSA-N 2 1 346.519 3.139 20 0 EGADMP CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021738648 1318646736 /nfs/dbraw/zinc/64/67/36/1318646736.db2.gz BKZHHBWKWQXXMM-UXHICEINSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001022069614 1318786556 /nfs/dbraw/zinc/78/65/56/1318786556.db2.gz MKLWGMAIOUXQDR-CEXWTWQISA-N 2 1 347.547 3.066 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCCC1)C1CC1 ZINC000960685100 1318792272 /nfs/dbraw/zinc/79/22/72/1318792272.db2.gz UASDRBZPDWDWRZ-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001022077472 1318792876 /nfs/dbraw/zinc/79/28/76/1318792876.db2.gz POYWGWSVACEQOD-VNTMZGSJSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCC1 ZINC000960687268 1318792977 /nfs/dbraw/zinc/79/29/77/1318792977.db2.gz ZKOFKMQANSQIJN-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC000960687268 1318792980 /nfs/dbraw/zinc/79/29/80/1318792980.db2.gz ZKOFKMQANSQIJN-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC000960687268 1318792987 /nfs/dbraw/zinc/79/29/87/1318792987.db2.gz ZKOFKMQANSQIJN-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000814657831 1318795324 /nfs/dbraw/zinc/79/53/24/1318795324.db2.gz SXHFEQZIQPRATP-DOTOQJQBSA-N 2 1 331.460 3.168 20 0 EGADMP OCc1cc(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000858549765 1328793042 /nfs/dbraw/zinc/79/30/42/1328793042.db2.gz ASQWYAQEQSLUGQ-GOSISDBHSA-N 2 1 325.456 3.288 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C)CC1CCCCCC1 ZINC000960712805 1318817980 /nfs/dbraw/zinc/81/79/80/1318817980.db2.gz UYQAEFRWYZYKBF-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC2(CC2)CC1)[NH+](C)C ZINC000960713252 1318820235 /nfs/dbraw/zinc/82/02/35/1318820235.db2.gz UIQZJZSDUDHFKD-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022163943 1318825933 /nfs/dbraw/zinc/82/59/33/1318825933.db2.gz CHWZVLPXVHSVLZ-OTWHNJEPSA-N 2 1 335.536 3.068 20 0 EGADMP CCc1cccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@@H](CC)[NH+](C)C)c1 ZINC000960720892 1318829658 /nfs/dbraw/zinc/82/96/58/1318829658.db2.gz VGIOSLQPXOGGKU-VQTJNVASSA-N 2 1 345.531 3.012 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCC1 ZINC000960720482 1318830194 /nfs/dbraw/zinc/83/01/94/1318830194.db2.gz UTWKRCOLXUFBBC-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1 ZINC000960720482 1318830199 /nfs/dbraw/zinc/83/01/99/1318830199.db2.gz UTWKRCOLXUFBBC-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC000960720482 1318830208 /nfs/dbraw/zinc/83/02/08/1318830208.db2.gz UTWKRCOLXUFBBC-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000960754102 1318854979 /nfs/dbraw/zinc/85/49/79/1318854979.db2.gz QNSSRRJNUJOKBH-HXUWFJFHSA-N 2 1 348.450 3.071 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000960755546 1318856706 /nfs/dbraw/zinc/85/67/06/1318856706.db2.gz XTGNXTCYLYWBHJ-IBGZPJMESA-N 2 1 340.471 3.061 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001022351048 1318901791 /nfs/dbraw/zinc/90/17/91/1318901791.db2.gz SKBRZSISVGHQNK-IJXRJRJASA-N 2 1 343.515 3.105 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000960827490 1318952164 /nfs/dbraw/zinc/95/21/64/1318952164.db2.gz ZSPDXPGRLUVQPL-YLJYHZDGSA-N 2 1 343.515 3.012 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000960833918 1318962341 /nfs/dbraw/zinc/96/23/41/1318962341.db2.gz OUGQVKGYDMPLQB-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000960833918 1318962345 /nfs/dbraw/zinc/96/23/45/1318962345.db2.gz OUGQVKGYDMPLQB-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000960833918 1318962367 /nfs/dbraw/zinc/96/23/67/1318962367.db2.gz OUGQVKGYDMPLQB-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP CCc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@H](CC)[NH+](C)C)cc1 ZINC000960868643 1319012495 /nfs/dbraw/zinc/01/24/95/1319012495.db2.gz KTAFXPDFRMAQLM-UXHICEINSA-N 2 1 345.531 3.012 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC2(CC2)CC1)[NH+](C)C ZINC000960870867 1319014889 /nfs/dbraw/zinc/01/48/89/1319014889.db2.gz UIQZJZSDUDHFKD-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001022838529 1319133229 /nfs/dbraw/zinc/13/32/29/1319133229.db2.gz QLXDISYNNBNROU-WCIQWLHISA-N 2 1 347.547 3.211 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC(C(C)(C)C)CC3)C2)C1 ZINC001023086511 1319255856 /nfs/dbraw/zinc/25/58/56/1319255856.db2.gz NZIXQQXKDIJRNL-NXANPBQISA-N 2 1 349.563 3.027 20 0 EGADMP CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961235182 1319369261 /nfs/dbraw/zinc/36/92/61/1319369261.db2.gz VTTAOYIVFLBXDC-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000961235182 1319369270 /nfs/dbraw/zinc/36/92/70/1319369270.db2.gz VTTAOYIVFLBXDC-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000961235182 1319369275 /nfs/dbraw/zinc/36/92/75/1319369275.db2.gz VTTAOYIVFLBXDC-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3cccnc3CC2)cn1 ZINC000817575342 1319400466 /nfs/dbraw/zinc/40/04/66/1319400466.db2.gz HRESERJHMYOIKJ-SFHVURJKSA-N 2 1 333.439 3.008 20 0 EGADMP CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961290974 1319450379 /nfs/dbraw/zinc/45/03/79/1319450379.db2.gz FJNKHDAMSZDJEE-UXHICEINSA-N 2 1 349.563 3.223 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C[C@@H]1C[NH3+] ZINC000817879647 1319452094 /nfs/dbraw/zinc/45/20/94/1319452094.db2.gz DNEHILRJOLKCDL-LBTNJELSSA-N 2 1 340.467 3.087 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(N2CCOC2=O)cc1 ZINC000817891534 1319452967 /nfs/dbraw/zinc/45/29/67/1319452967.db2.gz MOPMGXRGPDYCHF-AGRHKRQWSA-N 2 1 337.423 3.439 20 0 EGADMP O[C@]1(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCCc2ccccc21 ZINC000817912615 1319458201 /nfs/dbraw/zinc/45/82/01/1319458201.db2.gz BPOHYNVAFZDLBB-NNWRFLSQSA-N 2 1 336.479 3.293 20 0 EGADMP C[C@@H]([NH2+]CCCCC(=O)OCc1ccccc1)c1c[nH+]ccc1N ZINC000817922018 1319462250 /nfs/dbraw/zinc/46/22/50/1319462250.db2.gz NNQQMBIZCILYPV-OAHLLOKOSA-N 2 1 327.428 3.058 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023364360 1319475557 /nfs/dbraw/zinc/47/55/57/1319475557.db2.gz JKGXHOCKFSFBSV-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001023364360 1319475562 /nfs/dbraw/zinc/47/55/62/1319475562.db2.gz JKGXHOCKFSFBSV-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001023364360 1319475566 /nfs/dbraw/zinc/47/55/66/1319475566.db2.gz JKGXHOCKFSFBSV-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1C[NH+]1CCCCC1 ZINC000817965587 1319479086 /nfs/dbraw/zinc/47/90/86/1319479086.db2.gz YACSNGGQMNHLGF-INIZCTEOSA-N 3 1 331.504 3.213 20 0 EGADMP CC[NH+](CC)Cc1cc([C@H](C)N[C@H]2CCC[NH2+]CC2)ccc1OC ZINC000817967999 1319481009 /nfs/dbraw/zinc/48/10/09/1319481009.db2.gz FQBASALRHBFNAL-LPHOPBHVSA-N 2 1 333.520 3.330 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023370681 1319481628 /nfs/dbraw/zinc/48/16/28/1319481628.db2.gz MUUBOQIWKHFORG-RBUKOAKNSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023370681 1319481631 /nfs/dbraw/zinc/48/16/31/1319481631.db2.gz MUUBOQIWKHFORG-RBUKOAKNSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023370681 1319481639 /nfs/dbraw/zinc/48/16/39/1319481639.db2.gz MUUBOQIWKHFORG-RBUKOAKNSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001023377054 1319486002 /nfs/dbraw/zinc/48/60/02/1319486002.db2.gz DKCWVLSYYHAXRI-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001023377054 1319486005 /nfs/dbraw/zinc/48/60/05/1319486005.db2.gz DKCWVLSYYHAXRI-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001023377054 1319486009 /nfs/dbraw/zinc/48/60/09/1319486009.db2.gz DKCWVLSYYHAXRI-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC000961368584 1319526205 /nfs/dbraw/zinc/52/62/05/1319526205.db2.gz UHVKWSOIQCSQBT-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC000961368584 1319526212 /nfs/dbraw/zinc/52/62/12/1319526212.db2.gz UHVKWSOIQCSQBT-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC000961368584 1319526218 /nfs/dbraw/zinc/52/62/18/1319526218.db2.gz UHVKWSOIQCSQBT-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961373582 1319529292 /nfs/dbraw/zinc/52/92/92/1319529292.db2.gz HZGSPLLBTNCEQL-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961373582 1319529298 /nfs/dbraw/zinc/52/92/98/1319529298.db2.gz HZGSPLLBTNCEQL-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000961373582 1319529309 /nfs/dbraw/zinc/52/93/09/1319529309.db2.gz HZGSPLLBTNCEQL-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC000961381976 1319538115 /nfs/dbraw/zinc/53/81/15/1319538115.db2.gz DSRYDQIEPQLEHY-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC000961381976 1319538119 /nfs/dbraw/zinc/53/81/19/1319538119.db2.gz DSRYDQIEPQLEHY-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC000961381976 1319538122 /nfs/dbraw/zinc/53/81/22/1319538122.db2.gz DSRYDQIEPQLEHY-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000961417912 1319576361 /nfs/dbraw/zinc/57/63/61/1319576361.db2.gz VMRDNUXQPWOXBJ-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC000961433731 1319586600 /nfs/dbraw/zinc/58/66/00/1319586600.db2.gz BUHBJBGRLWGRAN-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000818959706 1319590209 /nfs/dbraw/zinc/59/02/09/1319590209.db2.gz RHPCICTYYZFINH-PBHICJAKSA-N 2 1 326.431 3.242 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000819348019 1319705854 /nfs/dbraw/zinc/70/58/54/1319705854.db2.gz FKSDPECAGITDTC-HZPDHXFCSA-N 2 1 345.314 3.043 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000819348019 1319705859 /nfs/dbraw/zinc/70/58/59/1319705859.db2.gz FKSDPECAGITDTC-HZPDHXFCSA-N 2 1 345.314 3.043 20 0 EGADMP C[N@@H+](CCCC[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C1CC1 ZINC000819360308 1319709206 /nfs/dbraw/zinc/70/92/06/1319709206.db2.gz CGLIPEBUXBXKAU-INIZCTEOSA-N 2 1 331.287 3.491 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000819366006 1319709920 /nfs/dbraw/zinc/70/99/20/1319709920.db2.gz GMQCIODVXKDUAR-WBMJQRKESA-N 2 1 331.287 3.348 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000819366541 1319710132 /nfs/dbraw/zinc/71/01/32/1319710132.db2.gz RREVZLFMIQRTMA-CJNGLKHVSA-N 2 1 330.394 3.060 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000819367020 1319711322 /nfs/dbraw/zinc/71/13/22/1319711322.db2.gz VLMSTFBXOYDYKF-CZUORRHYSA-N 2 1 330.394 3.060 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001023763358 1319911456 /nfs/dbraw/zinc/91/14/56/1319911456.db2.gz KKHWMPNFSRLLOL-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001023763358 1319911466 /nfs/dbraw/zinc/91/14/66/1319911466.db2.gz KKHWMPNFSRLLOL-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](CCOc1ccc(F)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930460524 1328862365 /nfs/dbraw/zinc/86/23/65/1328862365.db2.gz PFLLKSJMFCCNSQ-PBWFPOADSA-N 2 1 326.843 3.415 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000827459845 1320455100 /nfs/dbraw/zinc/45/51/00/1320455100.db2.gz PMSHRNLUBRGHPE-QGZVFWFLSA-N 2 1 345.487 3.012 20 0 EGADMP CCOCCOCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000930564970 1328897892 /nfs/dbraw/zinc/89/78/92/1328897892.db2.gz QGZYWHSGFFHIGW-UHFFFAOYSA-N 2 1 346.515 3.028 20 0 EGADMP C[C@@H]1CN(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C(=O)[C@H]1C ZINC000840025428 1321015213 /nfs/dbraw/zinc/01/52/13/1321015213.db2.gz CDTHSEHATSTFOT-KURKYZTESA-N 2 1 335.536 3.035 20 0 EGADMP C[C@@H]1CN(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C(=O)[C@H]1C ZINC000840025428 1321015217 /nfs/dbraw/zinc/01/52/17/1321015217.db2.gz CDTHSEHATSTFOT-KURKYZTESA-N 2 1 335.536 3.035 20 0 EGADMP CCOc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1OC(=O)CC ZINC000840912945 1321176478 /nfs/dbraw/zinc/17/64/78/1321176478.db2.gz AAUJFCZIDYPSCO-UHFFFAOYSA-N 2 1 348.487 3.174 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+][C@H](C)CC[NH3+] ZINC000841051558 1321210006 /nfs/dbraw/zinc/21/00/06/1321210006.db2.gz QFVJVSWJQMMSHV-LLVKDONJSA-N 2 1 341.286 3.374 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213857 1328947747 /nfs/dbraw/zinc/94/77/47/1328947747.db2.gz KGCAPTHJWVBAHD-MRXNPFEDSA-N 2 1 325.456 3.207 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213857 1328947750 /nfs/dbraw/zinc/94/77/50/1328947750.db2.gz KGCAPTHJWVBAHD-MRXNPFEDSA-N 2 1 325.456 3.207 20 0 EGADMP CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214863 1328947907 /nfs/dbraw/zinc/94/79/07/1328947907.db2.gz UXBIOLIIVUYSIH-HXUWFJFHSA-N 2 1 339.483 3.010 20 0 EGADMP CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214863 1328947909 /nfs/dbraw/zinc/94/79/09/1328947909.db2.gz UXBIOLIIVUYSIH-HXUWFJFHSA-N 2 1 339.483 3.010 20 0 EGADMP C[NH2+]C[C@H](C)c1noc([C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000842581294 1321403724 /nfs/dbraw/zinc/40/37/24/1321403724.db2.gz CJZQHKQVQSZVRL-JKSUJKDBSA-N 2 1 342.487 3.408 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(-c2nc([C@@H]3CCC[NH2+]C3)no2)cc1 ZINC000842667186 1321415305 /nfs/dbraw/zinc/41/53/05/1321415305.db2.gz ISNAWQUCUIFNKE-QGZVFWFLSA-N 2 1 328.460 3.436 20 0 EGADMP C[N@@H+](Cc1ccccc1OCc1cccnc1)C1CCC([NH3+])CC1 ZINC000843055117 1321462933 /nfs/dbraw/zinc/46/29/33/1321462933.db2.gz RSCKIYBFTLASBT-UHFFFAOYSA-N 2 1 325.456 3.362 20 0 EGADMP CCCCn1nc(C)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1Cl ZINC000843125703 1321472993 /nfs/dbraw/zinc/47/29/93/1321472993.db2.gz FTVVPFUYEIVBMH-HOTGVXAUSA-N 2 1 338.927 3.467 20 0 EGADMP CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000843353788 1321505106 /nfs/dbraw/zinc/50/51/06/1321505106.db2.gz JLQBZYZOOAOODG-PBPGXSGUSA-N 2 1 345.531 3.264 20 0 EGADMP CC[C@@H](NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000843355420 1321505605 /nfs/dbraw/zinc/50/56/05/1321505605.db2.gz NZNDSPBZRHJMQH-OFLPRAFFSA-N 2 1 337.895 3.109 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000846219381 1321777380 /nfs/dbraw/zinc/77/73/80/1321777380.db2.gz PORCTQUGJMMQPH-QGZVFWFLSA-N 2 1 343.471 3.146 20 0 EGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc4nonc4c3)C2)CC1 ZINC000846787794 1321808568 /nfs/dbraw/zinc/80/85/68/1321808568.db2.gz FDANQCMIMRAUEY-QGZVFWFLSA-N 2 1 328.460 3.167 20 0 EGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc4nonc4c3)C2)CC1 ZINC000846787794 1321808571 /nfs/dbraw/zinc/80/85/71/1321808571.db2.gz FDANQCMIMRAUEY-QGZVFWFLSA-N 2 1 328.460 3.167 20 0 EGADMP CC[N@H+](CC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC000848524723 1321968124 /nfs/dbraw/zinc/96/81/24/1321968124.db2.gz HBMWTRSCAMRSJI-JKSUJKDBSA-N 2 1 327.513 3.142 20 0 EGADMP CC[N@@H+](CC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC000848524723 1321968132 /nfs/dbraw/zinc/96/81/32/1321968132.db2.gz HBMWTRSCAMRSJI-JKSUJKDBSA-N 2 1 327.513 3.142 20 0 EGADMP CCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H](O)c1ccccc1 ZINC000848548583 1321974572 /nfs/dbraw/zinc/97/45/72/1321974572.db2.gz DJINKXITDBLYLI-ACRUOGEOSA-N 2 1 346.515 3.122 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCC[C@H](C)C1)c1cccc(OC)c1 ZINC000849053793 1322059794 /nfs/dbraw/zinc/05/97/94/1322059794.db2.gz JDSHHXRRMCBARV-LPHOPBHVSA-N 2 1 346.519 3.334 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccccc2)CCCC1 ZINC000849056730 1322060560 /nfs/dbraw/zinc/06/05/60/1322060560.db2.gz IJBUUPFJASSLQE-SFHVURJKSA-N 2 1 328.504 3.097 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000849068065 1322065225 /nfs/dbraw/zinc/06/52/25/1322065225.db2.gz REDXKZFRMZYUHL-GFCCVEGCSA-N 2 1 344.381 3.252 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000849091170 1322075609 /nfs/dbraw/zinc/07/56/09/1322075609.db2.gz XJLDURXUBVBWGC-WMZOPIPTSA-N 2 1 344.503 3.279 20 0 EGADMP C[N@H+]1CCC[C@H](CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849116351 1322084778 /nfs/dbraw/zinc/08/47/78/1322084778.db2.gz NCYYXYNSQFBBJS-CYBMUJFWSA-N 2 1 342.409 3.051 20 0 EGADMP Cn1ncc(C2CC2)c1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000850097185 1322191993 /nfs/dbraw/zinc/19/19/93/1322191993.db2.gz UFBWIUMDPXDUPM-UHFFFAOYSA-N 2 1 330.520 3.432 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(C3CC3)c1)C2 ZINC000922388893 1322515950 /nfs/dbraw/zinc/51/59/50/1322515950.db2.gz GZQYJTDTFGLDQJ-CGXNFDGLSA-N 2 1 328.500 3.133 20 0 EGADMP Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000922390149 1322517139 /nfs/dbraw/zinc/51/71/39/1322517139.db2.gz KYRIMHPCUOJMDX-YRXWBPOGSA-N 2 1 336.907 3.218 20 0 EGADMP Fc1ccc([C@H]2C[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1F ZINC000923312386 1322731232 /nfs/dbraw/zinc/73/12/32/1322731232.db2.gz KLCFGYFXADVBLK-QGGWKKEGSA-N 2 1 336.426 3.259 20 0 EGADMP Fc1ccc([C@H]2C[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1F ZINC000923312386 1322731235 /nfs/dbraw/zinc/73/12/35/1322731235.db2.gz KLCFGYFXADVBLK-QGGWKKEGSA-N 2 1 336.426 3.259 20 0 EGADMP COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000923443627 1322752725 /nfs/dbraw/zinc/75/27/25/1322752725.db2.gz UGNADCKLCIPSAQ-KRWDZBQOSA-N 2 1 347.503 3.255 20 0 EGADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000923491703 1322761255 /nfs/dbraw/zinc/76/12/55/1322761255.db2.gz MEFPILXYAZOUNZ-DYESRHJHSA-N 2 1 343.515 3.095 20 0 EGADMP Cc1ccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)c(F)c1 ZINC000923502795 1322763837 /nfs/dbraw/zinc/76/38/37/1322763837.db2.gz BCFBVQKILDWMMS-MRXNPFEDSA-N 2 1 347.478 3.174 20 0 EGADMP C[C@@]1(Cc2ccc(Cl)s2)CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923524948 1322769617 /nfs/dbraw/zinc/76/96/17/1322769617.db2.gz BANZDYWERLLRBJ-CJNGLKHVSA-N 2 1 340.920 3.177 20 0 EGADMP COc1ccnc([C@@H](C)[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000924528517 1323042557 /nfs/dbraw/zinc/04/25/57/1323042557.db2.gz ITZFPTFHYYOPJE-MRXNPFEDSA-N 2 1 325.456 3.405 20 0 EGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)c3ncco3)CC2)c1 ZINC000924614497 1323075859 /nfs/dbraw/zinc/07/58/59/1323075859.db2.gz RKXJASUJOFYOML-SFHVURJKSA-N 2 1 342.487 3.236 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024024398 1323082119 /nfs/dbraw/zinc/08/21/19/1323082119.db2.gz ZVOYNLRTLVYKNM-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)OC[C@@H](C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)O1 ZINC000851881547 1323107921 /nfs/dbraw/zinc/10/79/21/1323107921.db2.gz LAFXGGABVFBWDF-LJQANCHMSA-N 2 1 344.499 3.126 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(Br)n2)C1 ZINC000924753452 1323145217 /nfs/dbraw/zinc/14/52/17/1323145217.db2.gz PPULUGHYLWKEPG-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(Br)n2)C1 ZINC000924753452 1323145225 /nfs/dbraw/zinc/14/52/25/1323145225.db2.gz PPULUGHYLWKEPG-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000852106601 1323149043 /nfs/dbraw/zinc/14/90/43/1323149043.db2.gz BTGFCOCUBAZLAL-IRXDYDNUSA-N 2 1 342.405 3.157 20 0 EGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000852106601 1323149045 /nfs/dbraw/zinc/14/90/45/1323149045.db2.gz BTGFCOCUBAZLAL-IRXDYDNUSA-N 2 1 342.405 3.157 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000852106601 1323149049 /nfs/dbraw/zinc/14/90/49/1323149049.db2.gz BTGFCOCUBAZLAL-IRXDYDNUSA-N 2 1 342.405 3.157 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000852106601 1323149050 /nfs/dbraw/zinc/14/90/50/1323149050.db2.gz BTGFCOCUBAZLAL-IRXDYDNUSA-N 2 1 342.405 3.157 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852306437 1323175627 /nfs/dbraw/zinc/17/56/27/1323175627.db2.gz FVMIXSWPCDZQAU-UHFFFAOYSA-N 2 1 338.496 3.207 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852306437 1323175633 /nfs/dbraw/zinc/17/56/33/1323175633.db2.gz FVMIXSWPCDZQAU-UHFFFAOYSA-N 2 1 338.496 3.207 20 0 EGADMP CCCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](NC(C)=O)c2ccccc2F)CC1 ZINC000924845013 1323185632 /nfs/dbraw/zinc/18/56/32/1323185632.db2.gz CWSJIOAACSFLCR-MGPUTAFESA-N 2 1 349.494 3.246 20 0 EGADMP COc1ccnc([C@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000924938374 1323220684 /nfs/dbraw/zinc/22/06/84/1323220684.db2.gz LEXQSCQOHCKHLE-PKOBYXMFSA-N 2 1 339.483 3.305 20 0 EGADMP COc1ccnc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000924938374 1323220696 /nfs/dbraw/zinc/22/06/96/1323220696.db2.gz LEXQSCQOHCKHLE-PKOBYXMFSA-N 2 1 339.483 3.305 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001024236252 1323222545 /nfs/dbraw/zinc/22/25/45/1323222545.db2.gz IGRDUXRASHJBFC-VQTJNVASSA-N 2 1 349.563 3.127 20 0 EGADMP Cc1ccccc1C[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccco1 ZINC000924995169 1323239121 /nfs/dbraw/zinc/23/91/21/1323239121.db2.gz XTEZOOSPWKWNNW-UYAOXDASSA-N 2 1 341.499 3.097 20 0 EGADMP O=C(NC[C@@H]1CCCC[N@H+]1CC1CCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479731 1323432984 /nfs/dbraw/zinc/43/29/84/1323432984.db2.gz OHMIDTDROYUEEA-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCCC[NH+]1CC1CCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479731 1323432988 /nfs/dbraw/zinc/43/29/88/1323432988.db2.gz OHMIDTDROYUEEA-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCCC[NH+]1CC1CCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479731 1323432992 /nfs/dbraw/zinc/43/29/92/1323432992.db2.gz OHMIDTDROYUEEA-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024520386 1323468648 /nfs/dbraw/zinc/46/86/48/1323468648.db2.gz JLLKIKILPKKFQW-QGZVFWFLSA-N 2 1 340.471 3.193 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024649074 1323573399 /nfs/dbraw/zinc/57/33/99/1323573399.db2.gz PCPRLZYSJFLKMG-FQEVSTJZSA-N 2 1 345.531 3.175 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCC2CCCCCC2)C1 ZINC001024803284 1323706060 /nfs/dbraw/zinc/70/60/60/1323706060.db2.gz GQZAPERIPOKGFC-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCC2CCCCCC2)C1 ZINC001024803284 1323706065 /nfs/dbraw/zinc/70/60/65/1323706065.db2.gz GQZAPERIPOKGFC-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCC2CCCCCC2)C1 ZINC001024803284 1323706069 /nfs/dbraw/zinc/70/60/69/1323706069.db2.gz GQZAPERIPOKGFC-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001025168617 1323937108 /nfs/dbraw/zinc/93/71/08/1323937108.db2.gz PXRQOJNGRQBAKA-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[N@H+]2CC2CCC2)CCC1 ZINC001025240853 1324034881 /nfs/dbraw/zinc/03/48/81/1324034881.db2.gz RNMFSEQNITYLBK-RBUKOAKNSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025257817 1324064670 /nfs/dbraw/zinc/06/46/70/1324064670.db2.gz ACVQMFZCIDXFFY-WOJBJXKFSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025494166 1324345944 /nfs/dbraw/zinc/34/59/44/1324345944.db2.gz VAVDUUDJIOYEGA-IEBWSBKVSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025559958 1324407542 /nfs/dbraw/zinc/40/75/42/1324407542.db2.gz YGYIKSDPDIZRRW-XLIONFOSSA-N 2 1 345.531 3.235 20 0 EGADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCCCCNC(=O)OC(C)(C)C ZINC000931718684 1329171235 /nfs/dbraw/zinc/17/12/35/1329171235.db2.gz CQQLANMADFHJLM-DLBZAZTESA-N 2 1 339.524 3.240 20 0 EGADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCCCNC(=O)OC(C)(C)C ZINC000931718684 1329171238 /nfs/dbraw/zinc/17/12/38/1329171238.db2.gz CQQLANMADFHJLM-DLBZAZTESA-N 2 1 339.524 3.240 20 0 EGADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCCCNC(=O)OC(C)(C)C ZINC000931718684 1329171241 /nfs/dbraw/zinc/17/12/41/1329171241.db2.gz CQQLANMADFHJLM-DLBZAZTESA-N 2 1 339.524 3.240 20 0 EGADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCCCCNC(=O)OC(C)(C)C ZINC000931718684 1329171243 /nfs/dbraw/zinc/17/12/43/1329171243.db2.gz CQQLANMADFHJLM-DLBZAZTESA-N 2 1 339.524 3.240 20 0 EGADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCCCCNC(=O)OC(C)(C)C ZINC000931718684 1329171244 /nfs/dbraw/zinc/17/12/44/1329171244.db2.gz CQQLANMADFHJLM-DLBZAZTESA-N 2 1 339.524 3.240 20 0 EGADMP CC(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001026298533 1324710340 /nfs/dbraw/zinc/71/03/40/1324710340.db2.gz NPWPOVISIRUYDR-YTQUADARSA-N 2 1 349.563 3.122 20 0 EGADMP COC(=O)[C@H]1CCCC[C@@H]1C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000931748046 1329176762 /nfs/dbraw/zinc/17/67/62/1329176762.db2.gz HOGFWYLTNNEWQB-SJORKVTESA-N 2 1 333.476 3.185 20 0 EGADMP CCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001026494633 1324847666 /nfs/dbraw/zinc/84/76/66/1324847666.db2.gz XQAJDHXYRSHNPA-WWDZGPRUSA-N 2 1 335.536 3.068 20 0 EGADMP Cc1cc(C[NH2+]C2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)cs1 ZINC001026515823 1324862439 /nfs/dbraw/zinc/86/24/39/1324862439.db2.gz KWEMPZHIHCTIOH-DAWZGUTISA-N 2 1 349.544 3.058 20 0 EGADMP CC(C)[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001026548345 1324885437 /nfs/dbraw/zinc/88/54/37/1324885437.db2.gz VTPQKTMXPNLUSG-TVPLGVNVSA-N 2 1 335.536 3.209 20 0 EGADMP CCON1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000925135920 1325059980 /nfs/dbraw/zinc/05/99/80/1325059980.db2.gz MDJAJYBLOKUAKW-CRAIPNDOSA-N 2 1 337.533 3.137 20 0 EGADMP CCON1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000925135920 1325059989 /nfs/dbraw/zinc/05/99/89/1325059989.db2.gz MDJAJYBLOKUAKW-CRAIPNDOSA-N 2 1 337.533 3.137 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026935007 1325091835 /nfs/dbraw/zinc/09/18/35/1325091835.db2.gz GVWWPCOKXZSYAD-WOJBJXKFSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001027098222 1325222430 /nfs/dbraw/zinc/22/24/30/1325222430.db2.gz ILDMKOOJUWKCQO-GOSISDBHSA-N 2 1 346.519 3.025 20 0 EGADMP Clc1ncccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000854220063 1325230761 /nfs/dbraw/zinc/23/07/61/1325230761.db2.gz YSVHQELYCKSVQV-YJBOKZPZSA-N 2 1 329.831 3.081 20 0 EGADMP C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000925621543 1325234453 /nfs/dbraw/zinc/23/44/53/1325234453.db2.gz FBYYGMRKVVJHQH-JXFKEZNVSA-N 2 1 327.472 3.142 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CCC([NH2+]CCC3CCCC3)CC2)C1 ZINC000963902606 1325428774 /nfs/dbraw/zinc/42/87/74/1325428774.db2.gz NVYXDXXVDLJBBB-QHGAOEGBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc(N3CCOC3=O)cc2)CC1 ZINC000926127255 1325438956 /nfs/dbraw/zinc/43/89/56/1325438956.db2.gz VYMKUDJQFOHIBX-UHFFFAOYSA-N 2 1 345.487 3.243 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CC2)CC1 ZINC000964015711 1325475528 /nfs/dbraw/zinc/47/55/28/1325475528.db2.gz XFDVXJPZRAWZMV-ACBHZAAOSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC2CCCC2)C1 ZINC001027410504 1327636136 /nfs/dbraw/zinc/63/61/36/1327636136.db2.gz XWBQPACMUIADKP-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027410504 1327636146 /nfs/dbraw/zinc/63/61/46/1327636146.db2.gz XWBQPACMUIADKP-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027410504 1327636153 /nfs/dbraw/zinc/63/61/53/1327636153.db2.gz XWBQPACMUIADKP-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027447970 1327690482 /nfs/dbraw/zinc/69/04/82/1327690482.db2.gz CRNJXCOIZFKLQC-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCC1)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001027447970 1327690491 /nfs/dbraw/zinc/69/04/91/1327690491.db2.gz CRNJXCOIZFKLQC-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCC1)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001027447970 1327690502 /nfs/dbraw/zinc/69/05/02/1327690502.db2.gz CRNJXCOIZFKLQC-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000927054697 1327832327 /nfs/dbraw/zinc/83/23/27/1327832327.db2.gz CMSXHEPPDZZNRZ-PKOFMYQESA-N 2 1 344.499 3.169 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000927054697 1327832334 /nfs/dbraw/zinc/83/23/34/1327832334.db2.gz CMSXHEPPDZZNRZ-PKOFMYQESA-N 2 1 344.499 3.169 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000927062059 1327836127 /nfs/dbraw/zinc/83/61/27/1327836127.db2.gz XDNYPJJKEFKGLP-AXDKOMKPSA-N 2 1 344.499 3.169 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)[NH+](C)C ZINC001027564231 1327888234 /nfs/dbraw/zinc/88/82/34/1327888234.db2.gz UEMQNWATBNKTLO-RTBURBONSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH+](C)CC2CCCCCC2)C1 ZINC001027575555 1327910215 /nfs/dbraw/zinc/91/02/15/1327910215.db2.gz BEEFMINTSITEDK-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@H]([N@H+](C)CC2CCCCCC2)C1 ZINC001027575555 1327910223 /nfs/dbraw/zinc/91/02/23/1327910223.db2.gz BEEFMINTSITEDK-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC001027575555 1327910229 /nfs/dbraw/zinc/91/02/29/1327910229.db2.gz BEEFMINTSITEDK-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCC2)C1 ZINC001027602144 1327955496 /nfs/dbraw/zinc/95/54/96/1327955496.db2.gz MDBWADLJTMJCOL-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC001027602144 1327955500 /nfs/dbraw/zinc/95/55/00/1327955500.db2.gz MDBWADLJTMJCOL-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027602144 1327955507 /nfs/dbraw/zinc/95/55/07/1327955507.db2.gz MDBWADLJTMJCOL-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@@H+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027650935 1328032755 /nfs/dbraw/zinc/03/27/55/1328032755.db2.gz KGTWUOLLXPFUCO-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001027650935 1328032763 /nfs/dbraw/zinc/03/27/63/1328032763.db2.gz KGTWUOLLXPFUCO-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001027650935 1328032770 /nfs/dbraw/zinc/03/27/70/1328032770.db2.gz KGTWUOLLXPFUCO-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027682851 1328081211 /nfs/dbraw/zinc/08/12/11/1328081211.db2.gz YESINBQORMBRCH-PMACEKPBSA-N 2 1 343.515 3.156 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC001027693390 1328099757 /nfs/dbraw/zinc/09/97/57/1328099757.db2.gz XZLKIUCIMBPPFQ-LJQANCHMSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1)[NH+]1CCCC1 ZINC001027695401 1328102481 /nfs/dbraw/zinc/10/24/81/1328102481.db2.gz UGSJOIYMWWMTTO-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCCC1 ZINC001027795578 1328231974 /nfs/dbraw/zinc/23/19/74/1328231974.db2.gz XPTAWFKDTMVMNU-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCCCC1 ZINC001027795578 1328231982 /nfs/dbraw/zinc/23/19/82/1328231982.db2.gz XPTAWFKDTMVMNU-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCCCC1 ZINC001027795578 1328231991 /nfs/dbraw/zinc/23/19/91/1328231991.db2.gz XPTAWFKDTMVMNU-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001027918812 1328396759 /nfs/dbraw/zinc/39/67/59/1328396759.db2.gz QIHHNYDVUIMIJJ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001027918812 1328396768 /nfs/dbraw/zinc/39/67/68/1328396768.db2.gz QIHHNYDVUIMIJJ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC001027918812 1328396774 /nfs/dbraw/zinc/39/67/74/1328396774.db2.gz QIHHNYDVUIMIJJ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027919391 1328398066 /nfs/dbraw/zinc/39/80/66/1328398066.db2.gz VPCYPTRGWAVNDO-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC001027919391 1328398075 /nfs/dbraw/zinc/39/80/75/1328398075.db2.gz VPCYPTRGWAVNDO-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCCC1 ZINC001027919391 1328398082 /nfs/dbraw/zinc/39/80/82/1328398082.db2.gz VPCYPTRGWAVNDO-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCC2(CC2)CC1 ZINC001027972363 1328445658 /nfs/dbraw/zinc/44/56/58/1328445658.db2.gz UEEWOIGIJGOSIK-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001027972363 1328445664 /nfs/dbraw/zinc/44/56/64/1328445664.db2.gz UEEWOIGIJGOSIK-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCC2(CC2)CC1 ZINC001027972363 1328445670 /nfs/dbraw/zinc/44/56/70/1328445670.db2.gz UEEWOIGIJGOSIK-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027973010 1328446479 /nfs/dbraw/zinc/44/64/79/1328446479.db2.gz ZYXREMYDAMKCAT-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC001027973010 1328446481 /nfs/dbraw/zinc/44/64/81/1328446481.db2.gz ZYXREMYDAMKCAT-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCCC1 ZINC001027973010 1328446485 /nfs/dbraw/zinc/44/64/85/1328446485.db2.gz ZYXREMYDAMKCAT-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1c(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)ccc2c[nH+]cn21 ZINC001027984112 1328456200 /nfs/dbraw/zinc/45/62/00/1328456200.db2.gz JMRBSJUXASLAPV-GOSISDBHSA-N 2 1 348.450 3.037 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccnc2Br)C1 ZINC000865416034 1329693989 /nfs/dbraw/zinc/69/39/89/1329693989.db2.gz SGCYXPPBYXMNQH-AWEZNQCLSA-N 2 1 340.309 3.446 20 0 EGADMP CCCn1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)nn1 ZINC000865415031 1329694133 /nfs/dbraw/zinc/69/41/33/1329694133.db2.gz XFWQGNZZWMJUKM-QGZVFWFLSA-N 2 1 341.503 3.352 20 0 EGADMP CCCn1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)nn1 ZINC000865415031 1329694134 /nfs/dbraw/zinc/69/41/34/1329694134.db2.gz XFWQGNZZWMJUKM-QGZVFWFLSA-N 2 1 341.503 3.352 20 0 EGADMP CCCn1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nn1 ZINC000865508966 1329707276 /nfs/dbraw/zinc/70/72/76/1329707276.db2.gz IVHHRDPRDPPCNA-IEBWSBKVSA-N 2 1 341.503 3.078 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)CC1(C)OCCO1 ZINC000865673036 1329727899 /nfs/dbraw/zinc/72/78/99/1329727899.db2.gz QXDBDTINBMSJAD-BJLQDIEVSA-N 2 1 346.515 3.418 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)CC1(C)OCCO1 ZINC000865673036 1329727901 /nfs/dbraw/zinc/72/79/01/1329727901.db2.gz QXDBDTINBMSJAD-BJLQDIEVSA-N 2 1 346.515 3.418 20 0 EGADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1cccc(=O)[nH]1 ZINC000933402569 1329886771 /nfs/dbraw/zinc/88/67/71/1329886771.db2.gz VJQMRHAOPLEDIZ-UHFFFAOYSA-N 2 1 325.456 3.405 20 0 EGADMP CC[N@@H+](CCC1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1)CC1CC1 ZINC000935214822 1330035874 /nfs/dbraw/zinc/03/58/74/1330035874.db2.gz GPOZOHYGAFTHFT-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccn1 ZINC000866336861 1330098186 /nfs/dbraw/zinc/09/81/86/1330098186.db2.gz NUNZIMFDWOHPLY-TZIWHRDSSA-N 2 1 339.483 3.135 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CCCCC1 ZINC000868092405 1330248117 /nfs/dbraw/zinc/24/81/17/1330248117.db2.gz GZISRKCDZIJEKB-JCNLHEQBSA-N 2 1 344.503 3.310 20 0 EGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868187135 1330260316 /nfs/dbraw/zinc/26/03/16/1330260316.db2.gz DYBGTNVILLGFGU-FHLIZLRMSA-N 2 1 344.503 3.133 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941237401 1331402275 /nfs/dbraw/zinc/40/22/75/1331402275.db2.gz MSSUZZNUMBVBSM-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)C[C@H]2C)CC1 ZINC000943755716 1332254678 /nfs/dbraw/zinc/25/46/78/1332254678.db2.gz HOPJUCOUXLBYHM-QUCCMNQESA-N 2 1 349.563 3.125 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCC3CCCC3)C[C@@H]2C)CC1 ZINC000943756361 1332254880 /nfs/dbraw/zinc/25/48/80/1332254880.db2.gz OWTYLMQJMALXIR-AZUAARDMSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859446 1332918016 /nfs/dbraw/zinc/91/80/16/1332918016.db2.gz VGZZGDQWNDVDOA-YSTOQKLRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947361226 1333102882 /nfs/dbraw/zinc/10/28/82/1333102882.db2.gz MRWFNOKKEJETHW-HOCLYGCPSA-N 2 1 337.533 3.048 20 0 EGADMP C[C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@H+]1CCC1CC1 ZINC000947361804 1333103440 /nfs/dbraw/zinc/10/34/40/1333103440.db2.gz RLCSGFPENVLMTB-WMLDXEAASA-N 2 1 349.544 3.193 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CCCC1CCC1 ZINC000947493060 1333145923 /nfs/dbraw/zinc/14/59/23/1333145923.db2.gz PSTSPMKHZXLNIB-PKOBYXMFSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1Cc1ccsc1 ZINC000947616655 1333193924 /nfs/dbraw/zinc/19/39/24/1333193924.db2.gz RATPHOYRZQYTRE-DOTOQJQBSA-N 2 1 349.544 3.092 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947725713 1333241321 /nfs/dbraw/zinc/24/13/21/1333241321.db2.gz CARPCGUFQMIAOU-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947725713 1333241324 /nfs/dbraw/zinc/24/13/24/1333241324.db2.gz CARPCGUFQMIAOU-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947725713 1333241328 /nfs/dbraw/zinc/24/13/28/1333241328.db2.gz CARPCGUFQMIAOU-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CC1CC(C)(C)C1 ZINC000947726532 1333241775 /nfs/dbraw/zinc/24/17/75/1333241775.db2.gz PSRCTECVUDUKBJ-FUHWJXTLSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC1CC(C)(C)C1 ZINC000947726532 1333241777 /nfs/dbraw/zinc/24/17/77/1333241777.db2.gz PSRCTECVUDUKBJ-FUHWJXTLSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CC1CC(C)(C)C1 ZINC000947726532 1333241781 /nfs/dbraw/zinc/24/17/81/1333241781.db2.gz PSRCTECVUDUKBJ-FUHWJXTLSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947800186 1333265817 /nfs/dbraw/zinc/26/58/17/1333265817.db2.gz GPTCYAFRHJNUTL-FXAWDEMLSA-N 2 1 343.515 3.297 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)[C@H](C)C1 ZINC000948044323 1333352007 /nfs/dbraw/zinc/35/20/07/1333352007.db2.gz PDVCPVSQOYUXII-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)[C@H](C)C1 ZINC000948044323 1333352011 /nfs/dbraw/zinc/35/20/11/1333352011.db2.gz PDVCPVSQOYUXII-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948057507 1333358503 /nfs/dbraw/zinc/35/85/03/1333358503.db2.gz WRDAGSIGBNAIIZ-VQIMIIECSA-N 2 1 331.504 3.131 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)[C@@H](C)C2)o1 ZINC000948079151 1333368515 /nfs/dbraw/zinc/36/85/15/1333368515.db2.gz UMCKOFNEBDCZFH-RDJZCZTQSA-N 2 1 347.503 3.114 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948591183 1333587840 /nfs/dbraw/zinc/58/78/40/1333587840.db2.gz RLVVGMYXSQYRQS-SFHVURJKSA-N 2 1 342.487 3.307 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620785 1333599419 /nfs/dbraw/zinc/59/94/19/1333599419.db2.gz HYDSWBKYQUIWOF-SFHVURJKSA-N 2 1 342.487 3.307 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948619970 1333599778 /nfs/dbraw/zinc/59/97/78/1333599778.db2.gz ARVWOFYYRKFHJD-SFHVURJKSA-N 2 1 340.471 3.227 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948643177 1333609199 /nfs/dbraw/zinc/60/91/99/1333609199.db2.gz RLZJMPMFXWHHJQ-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](CC(C)C)CC2)C1 ZINC000948710318 1333642068 /nfs/dbraw/zinc/64/20/68/1333642068.db2.gz AFCHBHGQISBLHA-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](CC(C)C)CC2)C1 ZINC000948710318 1333642071 /nfs/dbraw/zinc/64/20/71/1333642071.db2.gz AFCHBHGQISBLHA-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CC(C)C)CC2)C1 ZINC000948710318 1333642076 /nfs/dbraw/zinc/64/20/76/1333642076.db2.gz AFCHBHGQISBLHA-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC=C(C)C)CC2)C1 ZINC000948711381 1333642605 /nfs/dbraw/zinc/64/26/05/1333642605.db2.gz PACCPVOXRFPKGN-VQTJNVASSA-N 2 1 349.563 3.388 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](CC=C(C)C)CC2)C1 ZINC000948711381 1333642615 /nfs/dbraw/zinc/64/26/15/1333642615.db2.gz PACCPVOXRFPKGN-VQTJNVASSA-N 2 1 349.563 3.388 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CC=C(C)C)CC2)C1 ZINC000948711381 1333642617 /nfs/dbraw/zinc/64/26/17/1333642617.db2.gz PACCPVOXRFPKGN-VQTJNVASSA-N 2 1 349.563 3.388 20 0 EGADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000948741398 1333654546 /nfs/dbraw/zinc/65/45/46/1333654546.db2.gz ABVUNIRIRSIKOK-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC1CC(C[N@H+]2CCC[C@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000948769694 1333670838 /nfs/dbraw/zinc/67/08/38/1333670838.db2.gz CPHGDUBGRONTDE-ACBHZAAOSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[NH+]2CCC[C@H](N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC000948769694 1333670843 /nfs/dbraw/zinc/67/08/43/1333670843.db2.gz CPHGDUBGRONTDE-ACBHZAAOSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[NH+]2CCC[C@H](N(C)C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000948769694 1333670846 /nfs/dbraw/zinc/67/08/46/1333670846.db2.gz CPHGDUBGRONTDE-ACBHZAAOSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC000948775738 1333674248 /nfs/dbraw/zinc/67/42/48/1333674248.db2.gz PTRDAVQDDVVQHO-FUHWJXTLSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC000948775738 1333674252 /nfs/dbraw/zinc/67/42/52/1333674252.db2.gz PTRDAVQDDVVQHO-FUHWJXTLSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccsc2)CC1 ZINC000948775738 1333674254 /nfs/dbraw/zinc/67/42/54/1333674254.db2.gz PTRDAVQDDVVQHO-FUHWJXTLSA-N 2 1 349.544 3.045 20 0 EGADMP CC1CC(C[N@H+]2CCC[C@H](N(C)C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000948833426 1333703570 /nfs/dbraw/zinc/70/35/70/1333703570.db2.gz SGTRWCXUTQTICL-UUKMXZOPSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)c1 ZINC000949307276 1333820002 /nfs/dbraw/zinc/82/00/02/1333820002.db2.gz DGKXQCSNPXECLE-KRWDZBQOSA-N 2 1 348.450 3.162 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1C[NH+](CC2CCC(C)CC2)C1 ZINC000950063325 1334006144 /nfs/dbraw/zinc/00/61/44/1334006144.db2.gz ICOHSWDFMOLENV-QLOJAFMTSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@@H]1CCC[C@H](CC[NH+]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000950524458 1334084825 /nfs/dbraw/zinc/08/48/25/1334084825.db2.gz PWPXRSYBFHQSGP-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000950635170 1334099981 /nfs/dbraw/zinc/09/99/81/1334099981.db2.gz GESVJEMBLJREBP-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC)C2C[NH+](CCC(C)(C)C)C2)C1 ZINC000951213461 1334209685 /nfs/dbraw/zinc/20/96/85/1334209685.db2.gz WXPBCRJLHRPEKH-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000951628014 1334281123 /nfs/dbraw/zinc/28/11/23/1334281123.db2.gz FQLUVUIDYOWNNS-VQTJNVASSA-N 2 1 345.531 3.038 20 0 EGADMP O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000951628014 1334281127 /nfs/dbraw/zinc/28/11/27/1334281127.db2.gz FQLUVUIDYOWNNS-VQTJNVASSA-N 2 1 345.531 3.038 20 0 EGADMP O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000951628158 1334281192 /nfs/dbraw/zinc/28/11/92/1334281192.db2.gz JLLKDXYMMLDHHN-WOJBJXKFSA-N 2 1 347.547 3.118 20 0 EGADMP O=C([C@H]1CCC[C@@H]2CCC[N@H+]21)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000951628158 1334281196 /nfs/dbraw/zinc/28/11/96/1334281196.db2.gz JLLKDXYMMLDHHN-WOJBJXKFSA-N 2 1 347.547 3.118 20 0 EGADMP C[C@H]1CC[N@@H+](CCC2CCCC2)C[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968330591 1335891152 /nfs/dbraw/zinc/89/11/52/1335891152.db2.gz BREUUJAAUGGNQW-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CCC2CCCC2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000968330591 1335891155 /nfs/dbraw/zinc/89/11/55/1335891155.db2.gz BREUUJAAUGGNQW-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CCC2CCCC2)C[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000968330591 1335891157 /nfs/dbraw/zinc/89/11/57/1335891157.db2.gz BREUUJAAUGGNQW-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[N@@H+](CCCC2CCC2)C[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968331961 1335892216 /nfs/dbraw/zinc/89/22/16/1335892216.db2.gz SNHARYFBLOFYGU-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CCCC2CCC2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000968331961 1335892219 /nfs/dbraw/zinc/89/22/19/1335892219.db2.gz SNHARYFBLOFYGU-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CCCC2CCC2)C[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000968331961 1335892221 /nfs/dbraw/zinc/89/22/21/1335892221.db2.gz SNHARYFBLOFYGU-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2=CCCCC2)C[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968386801 1335914995 /nfs/dbraw/zinc/91/49/95/1335914995.db2.gz PPXDLUMEXPPJIB-XLIONFOSSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968683010 1336009283 /nfs/dbraw/zinc/00/92/83/1336009283.db2.gz XGZDBBWMYIQOGA-YLJYHZDGSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968888047 1336080954 /nfs/dbraw/zinc/08/09/54/1336080954.db2.gz PYJSAYZSFLREBC-ZWKOTPCHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968888047 1336080956 /nfs/dbraw/zinc/08/09/56/1336080956.db2.gz PYJSAYZSFLREBC-ZWKOTPCHSA-N 2 1 346.519 3.167 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1=CCCCC1 ZINC000968920225 1336089277 /nfs/dbraw/zinc/08/92/77/1336089277.db2.gz RFEPPYUTGLWPOU-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1=CCCCC1 ZINC000968920225 1336089279 /nfs/dbraw/zinc/08/92/79/1336089279.db2.gz RFEPPYUTGLWPOU-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1=CCCCC1 ZINC000968920225 1336089284 /nfs/dbraw/zinc/08/92/84/1336089284.db2.gz RFEPPYUTGLWPOU-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1=CCCCC1 ZINC000968920225 1336089285 /nfs/dbraw/zinc/08/92/85/1336089285.db2.gz RFEPPYUTGLWPOU-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968926141 1336091877 /nfs/dbraw/zinc/09/18/77/1336091877.db2.gz VSHLHMAMQLTACJ-KRWDZBQOSA-N 2 1 342.487 3.417 20 0 EGADMP C[C@H](F)CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936195 1336095824 /nfs/dbraw/zinc/09/58/24/1336095824.db2.gz CYJGBRDSDVMWCQ-DOTOQJQBSA-N 2 1 346.450 3.057 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CCC2CCCC2)CC1 ZINC000969013623 1336118569 /nfs/dbraw/zinc/11/85/69/1336118569.db2.gz BINPYKBCNSNAQP-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969060256 1336133774 /nfs/dbraw/zinc/13/37/74/1336133774.db2.gz XYVAYPXKZGMBCB-OALUTQOASA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000969060256 1336133775 /nfs/dbraw/zinc/13/37/75/1336133775.db2.gz XYVAYPXKZGMBCB-OALUTQOASA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000969060256 1336133777 /nfs/dbraw/zinc/13/37/77/1336133777.db2.gz XYVAYPXKZGMBCB-OALUTQOASA-N 2 1 337.552 3.410 20 0 EGADMP CC(C)=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005502955 1336363122 /nfs/dbraw/zinc/36/31/22/1336363122.db2.gz GNAOYYXIPWXTRL-HXUWFJFHSA-N 2 1 347.547 3.282 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005503972 1336363436 /nfs/dbraw/zinc/36/34/36/1336363436.db2.gz OLYSCKHRVLCWKF-XLIONFOSSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)=CC[NH+]1CCC(N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005503976 1336363454 /nfs/dbraw/zinc/36/34/54/1336363454.db2.gz OYYTUDVDBRFESW-LJQANCHMSA-N 2 1 335.536 3.138 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CC3CC(C)(C)C3)CC2)CC[N@H+]1C ZINC001005884573 1336415550 /nfs/dbraw/zinc/41/55/50/1336415550.db2.gz NIUOHBUNFPYIQK-WMZOPIPTSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001006001426 1336436231 /nfs/dbraw/zinc/43/62/31/1336436231.db2.gz NPMAHUYCVJZIQJ-XLIONFOSSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001006276286 1336480590 /nfs/dbraw/zinc/48/05/90/1336480590.db2.gz BOCCATNAHGKABP-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)N(C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001006294702 1336485276 /nfs/dbraw/zinc/48/52/76/1336485276.db2.gz CNJZBKUURKYTAO-UHFFFAOYSA-N 2 1 346.519 3.120 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1c[nH]c2cccc(Br)c12 ZINC001205901723 1370904658 /nfs/dbraw/zinc/90/46/58/1370904658.db2.gz FNQPZGZRKUMAKF-VXGBXAGGSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2cccc(Br)c12 ZINC001205901723 1370904660 /nfs/dbraw/zinc/90/46/60/1370904660.db2.gz FNQPZGZRKUMAKF-VXGBXAGGSA-N 2 1 336.277 3.490 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001006923971 1336607957 /nfs/dbraw/zinc/60/79/57/1336607957.db2.gz GRZNCMUBTWLJMO-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001006923971 1336607958 /nfs/dbraw/zinc/60/79/58/1336607958.db2.gz GRZNCMUBTWLJMO-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001006923971 1336607960 /nfs/dbraw/zinc/60/79/60/1336607960.db2.gz GRZNCMUBTWLJMO-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007747697 1336693991 /nfs/dbraw/zinc/69/39/91/1336693991.db2.gz RDUVHVDSVIULHO-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001007747697 1336693993 /nfs/dbraw/zinc/69/39/93/1336693993.db2.gz RDUVHVDSVIULHO-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001007747697 1336693995 /nfs/dbraw/zinc/69/39/95/1336693995.db2.gz RDUVHVDSVIULHO-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCC2CCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001007799225 1336702964 /nfs/dbraw/zinc/70/29/64/1336702964.db2.gz HZRKUWAHLFZTDP-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001008746767 1336919248 /nfs/dbraw/zinc/91/92/48/1336919248.db2.gz JOBAUXUHCXETMJ-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008759129 1336921478 /nfs/dbraw/zinc/92/14/78/1336921478.db2.gz DEMBRCQYLUBHPJ-PXNSSMCTSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCC(C)C)C2)o1 ZINC001009686322 1337059861 /nfs/dbraw/zinc/05/98/61/1337059861.db2.gz WGGRNVDMCOEKMI-QGZVFWFLSA-N 2 1 349.519 3.362 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCC(C)C)C2)o1 ZINC001009686321 1337060160 /nfs/dbraw/zinc/06/01/60/1337060160.db2.gz WGGRNVDMCOEKMI-KRWDZBQOSA-N 2 1 349.519 3.362 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433452 1337776727 /nfs/dbraw/zinc/77/67/27/1337776727.db2.gz KJNWBGQKHRPCQV-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014433452 1337776728 /nfs/dbraw/zinc/77/67/28/1337776728.db2.gz KJNWBGQKHRPCQV-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014433452 1337776731 /nfs/dbraw/zinc/77/67/31/1337776731.db2.gz KJNWBGQKHRPCQV-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CC2=CCCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001014724934 1337886514 /nfs/dbraw/zinc/88/65/14/1337886514.db2.gz YBQBLXLYMWWKHR-AZUAARDMSA-N 2 1 345.531 3.084 20 0 EGADMP O=C(N[C@H]1CC[NH+](CC2=CCCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001014724934 1337886519 /nfs/dbraw/zinc/88/65/19/1337886519.db2.gz YBQBLXLYMWWKHR-AZUAARDMSA-N 2 1 345.531 3.084 20 0 EGADMP O=C(N[C@H]1CC[NH+](CC2=CCCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001014724934 1337886520 /nfs/dbraw/zinc/88/65/20/1337886520.db2.gz YBQBLXLYMWWKHR-AZUAARDMSA-N 2 1 345.531 3.084 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015291560 1338086546 /nfs/dbraw/zinc/08/65/46/1338086546.db2.gz SVLUDXSVYJNIKH-UYAOXDASSA-N 2 1 348.450 3.290 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001015504581 1338162057 /nfs/dbraw/zinc/16/20/57/1338162057.db2.gz PNACCGNMUDNHAA-IEBWSBKVSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001015704563 1338269381 /nfs/dbraw/zinc/26/93/81/1338269381.db2.gz CZBXFBZGZBUYGC-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001015704563 1338269384 /nfs/dbraw/zinc/26/93/84/1338269384.db2.gz CZBXFBZGZBUYGC-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001015704563 1338269387 /nfs/dbraw/zinc/26/93/87/1338269387.db2.gz CZBXFBZGZBUYGC-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015895719 1338351166 /nfs/dbraw/zinc/35/11/66/1338351166.db2.gz AFYAEWHFLABYJH-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC3=CCCCC3)C2)CC1 ZINC001015930930 1338363652 /nfs/dbraw/zinc/36/36/52/1338363652.db2.gz WWFBQEHHHZUGPE-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001016788526 1338727544 /nfs/dbraw/zinc/72/75/44/1338727544.db2.gz ZPPTZAYYRVKTRU-OALUTQOASA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016862220 1338751320 /nfs/dbraw/zinc/75/13/20/1338751320.db2.gz TXSYZKGPHTXWQI-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001016984549 1338792256 /nfs/dbraw/zinc/79/22/56/1338792256.db2.gz DYXMYRFIEDFZKF-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@@H](C[N@@H+](C)CC3CCCCC3)C2)CCC1 ZINC001017141343 1338894015 /nfs/dbraw/zinc/89/40/15/1338894015.db2.gz DPXQVPOFVSLCLV-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H](C[NH+](C)CC2CCC2)C1 ZINC001017143737 1338894476 /nfs/dbraw/zinc/89/44/76/1338894476.db2.gz YWRMFLFLSSQBHY-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001017143737 1338894482 /nfs/dbraw/zinc/89/44/82/1338894482.db2.gz YWRMFLFLSSQBHY-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017143737 1338894487 /nfs/dbraw/zinc/89/44/87/1338894487.db2.gz YWRMFLFLSSQBHY-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001017156003 1338906322 /nfs/dbraw/zinc/90/63/22/1338906322.db2.gz PYQLMUPKDKFMNT-QGZVFWFLSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+](C)C[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001017156003 1338906323 /nfs/dbraw/zinc/90/63/23/1338906323.db2.gz PYQLMUPKDKFMNT-QGZVFWFLSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+](C)C[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001017156003 1338906324 /nfs/dbraw/zinc/90/63/24/1338906324.db2.gz PYQLMUPKDKFMNT-QGZVFWFLSA-N 2 1 337.552 3.218 20 0 EGADMP CC1CCC(C[N@@H+](C)C[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001017261138 1338988954 /nfs/dbraw/zinc/98/89/54/1338988954.db2.gz RXJQPSCKJCKZAQ-SOAGJPPSSA-N 2 1 349.563 3.079 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001017268444 1338994726 /nfs/dbraw/zinc/99/47/26/1338994726.db2.gz ZVGSAVZRZBQNFC-IOJLRTSASA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001018837791 1339735819 /nfs/dbraw/zinc/73/58/19/1339735819.db2.gz RCMJYRMGWZQHDI-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028092672 1340420849 /nfs/dbraw/zinc/42/08/49/1340420849.db2.gz BMXVGOISHBWQCN-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028092672 1340420852 /nfs/dbraw/zinc/42/08/52/1340420852.db2.gz BMXVGOISHBWQCN-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028092672 1340420856 /nfs/dbraw/zinc/42/08/56/1340420856.db2.gz BMXVGOISHBWQCN-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CCC1CC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093876 1340422112 /nfs/dbraw/zinc/42/21/12/1340422112.db2.gz PUHKYGNDGCHSDA-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CCC1CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093876 1340422115 /nfs/dbraw/zinc/42/21/15/1340422115.db2.gz PUHKYGNDGCHSDA-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CCC1CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093876 1340422118 /nfs/dbraw/zinc/42/21/18/1340422118.db2.gz PUHKYGNDGCHSDA-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1csc(C)c1 ZINC001028334983 1340572554 /nfs/dbraw/zinc/57/25/54/1340572554.db2.gz LZINEORPGHROQU-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1csc(C)c1 ZINC001028334983 1340572556 /nfs/dbraw/zinc/57/25/56/1340572556.db2.gz LZINEORPGHROQU-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1csc(C)c1 ZINC001028334983 1340572558 /nfs/dbraw/zinc/57/25/58/1340572558.db2.gz LZINEORPGHROQU-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001028647104 1340741934 /nfs/dbraw/zinc/74/19/34/1340741934.db2.gz FIGJGZQXWWGVEG-WOJBJXKFSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001028647104 1340741938 /nfs/dbraw/zinc/74/19/38/1340741938.db2.gz FIGJGZQXWWGVEG-WOJBJXKFSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001028647104 1340741941 /nfs/dbraw/zinc/74/19/41/1340741941.db2.gz FIGJGZQXWWGVEG-WOJBJXKFSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001028646805 1340742434 /nfs/dbraw/zinc/74/24/34/1340742434.db2.gz AUNBHFAGRJKYNG-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001028646805 1340742436 /nfs/dbraw/zinc/74/24/36/1340742436.db2.gz AUNBHFAGRJKYNG-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001028646805 1340742439 /nfs/dbraw/zinc/74/24/39/1340742439.db2.gz AUNBHFAGRJKYNG-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001028754514 1340790756 /nfs/dbraw/zinc/79/07/56/1340790756.db2.gz GFBCMMQUQIZZCR-UXHICEINSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@H+](CCCC3CCC3)C2)C1 ZINC001028754514 1340790759 /nfs/dbraw/zinc/79/07/59/1340790759.db2.gz GFBCMMQUQIZZCR-UXHICEINSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001028754514 1340790761 /nfs/dbraw/zinc/79/07/61/1340790761.db2.gz GFBCMMQUQIZZCR-UXHICEINSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)C1 ZINC001029336714 1340973725 /nfs/dbraw/zinc/97/37/25/1340973725.db2.gz WUMUHLGPRPEYFD-GBESFXJTSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)C1 ZINC001029336714 1340973726 /nfs/dbraw/zinc/97/37/26/1340973726.db2.gz WUMUHLGPRPEYFD-GBESFXJTSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)C1 ZINC001029336714 1340973727 /nfs/dbraw/zinc/97/37/27/1340973727.db2.gz WUMUHLGPRPEYFD-GBESFXJTSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1cccc(C)c1)[NH+](C)C ZINC001029356257 1340976544 /nfs/dbraw/zinc/97/65/44/1340976544.db2.gz HQWVQSQKJJGPTE-IJXRJRJASA-N 2 1 343.515 3.071 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001029375056 1340980149 /nfs/dbraw/zinc/98/01/49/1340980149.db2.gz CZOXDCKOBIGCRN-CEXWTWQISA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001029375056 1340980150 /nfs/dbraw/zinc/98/01/50/1340980150.db2.gz CZOXDCKOBIGCRN-CEXWTWQISA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001029375056 1340980151 /nfs/dbraw/zinc/98/01/51/1340980151.db2.gz CZOXDCKOBIGCRN-CEXWTWQISA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001029550414 1341010683 /nfs/dbraw/zinc/01/06/83/1341010683.db2.gz LQEHRWJQZJAMRT-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001029550414 1341010684 /nfs/dbraw/zinc/01/06/84/1341010684.db2.gz LQEHRWJQZJAMRT-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001029550414 1341010685 /nfs/dbraw/zinc/01/06/85/1341010685.db2.gz LQEHRWJQZJAMRT-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001029800790 1341077154 /nfs/dbraw/zinc/07/71/54/1341077154.db2.gz ZJNXNBXUDDOKBZ-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CCCC3)C2)CC1 ZINC001029880784 1341102559 /nfs/dbraw/zinc/10/25/59/1341102559.db2.gz MBQGQLRPFDQBOW-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CC1CCCC1)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001029970607 1341138826 /nfs/dbraw/zinc/13/88/26/1341138826.db2.gz JOCRKFLOGFMZIK-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCC1)CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001029970607 1341138827 /nfs/dbraw/zinc/13/88/27/1341138827.db2.gz JOCRKFLOGFMZIK-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCC1)CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001029970607 1341138829 /nfs/dbraw/zinc/13/88/29/1341138829.db2.gz JOCRKFLOGFMZIK-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](C)CC2CCC2)CC1 ZINC001029976777 1341141508 /nfs/dbraw/zinc/14/15/08/1341141508.db2.gz NVPMHMQSKIEIFY-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1 ZINC001029976777 1341141509 /nfs/dbraw/zinc/14/15/09/1341141509.db2.gz NVPMHMQSKIEIFY-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1 ZINC001029976777 1341141510 /nfs/dbraw/zinc/14/15/10/1341141510.db2.gz NVPMHMQSKIEIFY-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CCC(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001030020740 1341159861 /nfs/dbraw/zinc/15/98/61/1341159861.db2.gz YWGWATAHOWQEIK-TZCBXBLLSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001030444356 1341188056 /nfs/dbraw/zinc/18/80/56/1341188056.db2.gz IKDIWZFBVNJRDC-IBGZPJMESA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CCC(C[NH+]2CC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)CC1 ZINC001030518628 1341193732 /nfs/dbraw/zinc/19/37/32/1341193732.db2.gz HLWAWIAIYCIGIA-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CCC(C[NH+]2CC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)CC1 ZINC001030518628 1341193734 /nfs/dbraw/zinc/19/37/34/1341193734.db2.gz HLWAWIAIYCIGIA-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCCC1 ZINC001032626451 1341564480 /nfs/dbraw/zinc/56/44/80/1341564480.db2.gz GEXYPIWCGSNKDN-IHPCNDPISA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCCC1 ZINC001032626451 1341564484 /nfs/dbraw/zinc/56/44/84/1341564484.db2.gz GEXYPIWCGSNKDN-IHPCNDPISA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCCCC1 ZINC001032626451 1341564485 /nfs/dbraw/zinc/56/44/85/1341564485.db2.gz GEXYPIWCGSNKDN-IHPCNDPISA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033125448 1341733111 /nfs/dbraw/zinc/73/31/11/1341733111.db2.gz DYTZKJCITCSSAG-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033125448 1341733112 /nfs/dbraw/zinc/73/31/12/1341733112.db2.gz DYTZKJCITCSSAG-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033125448 1341733113 /nfs/dbraw/zinc/73/31/13/1341733113.db2.gz DYTZKJCITCSSAG-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033125182 1341733126 /nfs/dbraw/zinc/73/31/26/1341733126.db2.gz AIPVZRZLLUTGLK-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033125182 1341733127 /nfs/dbraw/zinc/73/31/27/1341733127.db2.gz AIPVZRZLLUTGLK-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033125182 1341733128 /nfs/dbraw/zinc/73/31/28/1341733128.db2.gz AIPVZRZLLUTGLK-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033145834 1341738752 /nfs/dbraw/zinc/73/87/52/1341738752.db2.gz KRFOQXOMIVNUGL-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033145834 1341738753 /nfs/dbraw/zinc/73/87/53/1341738753.db2.gz KRFOQXOMIVNUGL-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033145834 1341738754 /nfs/dbraw/zinc/73/87/54/1341738754.db2.gz KRFOQXOMIVNUGL-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033318132 1341779291 /nfs/dbraw/zinc/77/92/91/1341779291.db2.gz HBANBOFXLQXNCV-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)c1ccccc1C[NH+](C)C)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033685554 1341951093 /nfs/dbraw/zinc/95/10/93/1341951093.db2.gz MXJRGMMWVTVWNL-GOSISDBHSA-N 2 1 345.531 3.331 20 0 EGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033832931 1342032666 /nfs/dbraw/zinc/03/26/66/1342032666.db2.gz BYCWWTXLTUDZIF-MISYRCLQSA-N 2 1 347.547 3.140 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033832931 1342032667 /nfs/dbraw/zinc/03/26/67/1342032667.db2.gz BYCWWTXLTUDZIF-MISYRCLQSA-N 2 1 347.547 3.140 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033832931 1342032668 /nfs/dbraw/zinc/03/26/68/1342032668.db2.gz BYCWWTXLTUDZIF-MISYRCLQSA-N 2 1 347.547 3.140 20 0 EGADMP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001033888718 1342062372 /nfs/dbraw/zinc/06/23/72/1342062372.db2.gz SQJOIKASYFFIOR-LJQANCHMSA-N 2 1 348.450 3.071 20 0 EGADMP CCCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033990253 1342133853 /nfs/dbraw/zinc/13/38/53/1342133853.db2.gz TWSNGCRJYUHQPC-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034203613 1342313827 /nfs/dbraw/zinc/31/38/27/1342313827.db2.gz FXDDPKCZLLYXKF-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034203613 1342313830 /nfs/dbraw/zinc/31/38/30/1342313830.db2.gz FXDDPKCZLLYXKF-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034203613 1342313834 /nfs/dbraw/zinc/31/38/34/1342313834.db2.gz FXDDPKCZLLYXKF-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034203615 1342314022 /nfs/dbraw/zinc/31/40/22/1342314022.db2.gz FXDDPKCZLLYXKF-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034203615 1342314025 /nfs/dbraw/zinc/31/40/25/1342314025.db2.gz FXDDPKCZLLYXKF-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034203615 1342314028 /nfs/dbraw/zinc/31/40/28/1342314028.db2.gz FXDDPKCZLLYXKF-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034205440 1342316318 /nfs/dbraw/zinc/31/63/18/1342316318.db2.gz WPRKDACWOWGAGC-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034205440 1342316321 /nfs/dbraw/zinc/31/63/21/1342316321.db2.gz WPRKDACWOWGAGC-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034205440 1342316325 /nfs/dbraw/zinc/31/63/25/1342316325.db2.gz WPRKDACWOWGAGC-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034205817 1342316359 /nfs/dbraw/zinc/31/63/59/1342316359.db2.gz YYTBLBVBOSQCPF-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001034205817 1342316363 /nfs/dbraw/zinc/31/63/63/1342316363.db2.gz YYTBLBVBOSQCPF-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001034205817 1342316367 /nfs/dbraw/zinc/31/63/67/1342316367.db2.gz YYTBLBVBOSQCPF-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCCC[N@@H+](CC2CCC2)C1)[NH+]1CCCCC1 ZINC001034211894 1342321295 /nfs/dbraw/zinc/32/12/95/1342321295.db2.gz PQPGXDRAQFSFEY-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCCC[N@H+](CCC2CC2)C1 ZINC001034229420 1342333755 /nfs/dbraw/zinc/33/37/55/1342333755.db2.gz QHQNPHMFRSQGIF-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CC2)C1 ZINC001034229420 1342333759 /nfs/dbraw/zinc/33/37/59/1342333759.db2.gz QHQNPHMFRSQGIF-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034229980 1342335307 /nfs/dbraw/zinc/33/53/07/1342335307.db2.gz ZKDGUVQMSHYTSZ-MRXNPFEDSA-N 2 1 337.533 3.050 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034229980 1342335309 /nfs/dbraw/zinc/33/53/09/1342335309.db2.gz ZKDGUVQMSHYTSZ-MRXNPFEDSA-N 2 1 337.533 3.050 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034239217 1342340294 /nfs/dbraw/zinc/34/02/94/1342340294.db2.gz JFFURCRCTPIRJE-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034239217 1342340295 /nfs/dbraw/zinc/34/02/95/1342340295.db2.gz JFFURCRCTPIRJE-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034239217 1342340296 /nfs/dbraw/zinc/34/02/96/1342340296.db2.gz JFFURCRCTPIRJE-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034250509 1342348261 /nfs/dbraw/zinc/34/82/61/1342348261.db2.gz RGNNYAQYGHLGMC-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034250509 1342348267 /nfs/dbraw/zinc/34/82/67/1342348267.db2.gz RGNNYAQYGHLGMC-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034250509 1342348268 /nfs/dbraw/zinc/34/82/68/1342348268.db2.gz RGNNYAQYGHLGMC-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034364092 1342434191 /nfs/dbraw/zinc/43/41/91/1342434191.db2.gz QIEZKVHTJUKPIL-WDSOQIARSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034364092 1342434194 /nfs/dbraw/zinc/43/41/94/1342434194.db2.gz QIEZKVHTJUKPIL-WDSOQIARSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034364092 1342434195 /nfs/dbraw/zinc/43/41/95/1342434195.db2.gz QIEZKVHTJUKPIL-WDSOQIARSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCCC[NH+](CC=C(C)C)C2)C1 ZINC001034367956 1342437055 /nfs/dbraw/zinc/43/70/55/1342437055.db2.gz ITWXUYJIYGQSBV-OALUTQOASA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCCC[N@H+](CC=C(C)C)C2)C1 ZINC001034367956 1342437061 /nfs/dbraw/zinc/43/70/61/1342437061.db2.gz ITWXUYJIYGQSBV-OALUTQOASA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCCC[N@@H+](CC=C(C)C)C2)C1 ZINC001034367956 1342437064 /nfs/dbraw/zinc/43/70/64/1342437064.db2.gz ITWXUYJIYGQSBV-OALUTQOASA-N 2 1 335.536 3.045 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001034393671 1342462132 /nfs/dbraw/zinc/46/21/32/1342462132.db2.gz GWHNKOWUKBCZJM-AZUAARDMSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001034393671 1342462134 /nfs/dbraw/zinc/46/21/34/1342462134.db2.gz GWHNKOWUKBCZJM-AZUAARDMSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001034393671 1342462136 /nfs/dbraw/zinc/46/21/36/1342462136.db2.gz GWHNKOWUKBCZJM-AZUAARDMSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034400206 1342465900 /nfs/dbraw/zinc/46/59/00/1342465900.db2.gz WYAQEXRYCGVTET-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](CC2CCCCCC2)C1 ZINC001034400206 1342465903 /nfs/dbraw/zinc/46/59/03/1342465903.db2.gz WYAQEXRYCGVTET-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](CC2CCCCCC2)C1 ZINC001034400206 1342465904 /nfs/dbraw/zinc/46/59/04/1342465904.db2.gz WYAQEXRYCGVTET-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CC1(C)CC(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001034398211 1342466681 /nfs/dbraw/zinc/46/66/81/1342466681.db2.gz NLCWNUYHOPIKKX-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001034398211 1342466684 /nfs/dbraw/zinc/46/66/84/1342466684.db2.gz NLCWNUYHOPIKKX-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001034398211 1342466687 /nfs/dbraw/zinc/46/66/87/1342466687.db2.gz NLCWNUYHOPIKKX-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCC3)CC2)CC[N@H+]1C ZINC001034715926 1342711207 /nfs/dbraw/zinc/71/12/07/1342711207.db2.gz XITVIPFOEUMVBQ-LEAZDLGRSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)c1ccccc1 ZINC001034775483 1342753315 /nfs/dbraw/zinc/75/33/15/1342753315.db2.gz ASDJVFNERKTPHO-PIKOESSRSA-N 2 1 343.515 3.106 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CCC(C)(C)CC2)CC[N@H+]1C ZINC001034939897 1342844625 /nfs/dbraw/zinc/84/46/25/1342844625.db2.gz QNKSZDVJKOBLCT-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCC2)C1 ZINC001034958139 1342852322 /nfs/dbraw/zinc/85/23/22/1342852322.db2.gz BECYQEBROWFADT-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CCC(C[NH2+]C[C@H]2CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001035047727 1342897814 /nfs/dbraw/zinc/89/78/14/1342897814.db2.gz JVZPWTRHWDGVPV-CTWPCTMYSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](C[C@@H](C)CC)C2)CC1 ZINC001035189199 1343003296 /nfs/dbraw/zinc/00/32/96/1343003296.db2.gz XYCRBDGWXKTWJH-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001035189199 1343003298 /nfs/dbraw/zinc/00/32/98/1343003298.db2.gz XYCRBDGWXKTWJH-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](C[C@@H](C)CC)C2)CC1 ZINC001035189199 1343003302 /nfs/dbraw/zinc/00/33/02/1343003302.db2.gz XYCRBDGWXKTWJH-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)CC2 ZINC001035709528 1343145169 /nfs/dbraw/zinc/14/51/69/1343145169.db2.gz XUBPKMIXJFWLGB-QGZVFWFLSA-N 2 1 346.519 3.121 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035725573 1343154197 /nfs/dbraw/zinc/15/41/97/1343154197.db2.gz ZFPNEANDTZKYOL-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001036423117 1343477264 /nfs/dbraw/zinc/47/72/64/1343477264.db2.gz ZUVFHACTUIGWKO-WMZOPIPTSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001036453884 1343495814 /nfs/dbraw/zinc/49/58/14/1343495814.db2.gz GRTSIHUDNHLLDC-IRXDYDNUSA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001036453882 1343495867 /nfs/dbraw/zinc/49/58/67/1343495867.db2.gz GRTSIHUDNHLLDC-IAGOWNOFSA-N 2 1 334.508 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036854594 1343788818 /nfs/dbraw/zinc/78/88/18/1343788818.db2.gz NXMVLGFEDSQCLR-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001037250308 1344068919 /nfs/dbraw/zinc/06/89/19/1344068919.db2.gz BIQYGSNJHZPALC-OALUTQOASA-N 2 1 346.519 3.036 20 0 EGADMP CC[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1[NH2+]C(C)C ZINC001037871554 1344153291 /nfs/dbraw/zinc/15/32/91/1344153291.db2.gz CLNFVSLJKYTGPV-WMZOPIPTSA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1[NH2+]CCC1CC1 ZINC001037925153 1344184810 /nfs/dbraw/zinc/18/48/10/1344184810.db2.gz IOAUJVHTPTUORF-QZTJIDSGSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038238193 1344337664 /nfs/dbraw/zinc/33/76/64/1344337664.db2.gz GELFNAXEQKLXSB-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCCC1 ZINC001038238193 1344337668 /nfs/dbraw/zinc/33/76/68/1344337668.db2.gz GELFNAXEQKLXSB-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001038238193 1344337671 /nfs/dbraw/zinc/33/76/71/1344337671.db2.gz GELFNAXEQKLXSB-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001038319595 1344377887 /nfs/dbraw/zinc/37/78/87/1344377887.db2.gz AWULTWOEASDAJM-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001038319595 1344377890 /nfs/dbraw/zinc/37/78/90/1344377890.db2.gz AWULTWOEASDAJM-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001038319595 1344377893 /nfs/dbraw/zinc/37/78/93/1344377893.db2.gz AWULTWOEASDAJM-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001038320216 1344378478 /nfs/dbraw/zinc/37/84/78/1344378478.db2.gz HJFQTMZKGVJDQY-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001038320216 1344378480 /nfs/dbraw/zinc/37/84/80/1344378480.db2.gz HJFQTMZKGVJDQY-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCC1 ZINC001038320216 1344378485 /nfs/dbraw/zinc/37/84/85/1344378485.db2.gz HJFQTMZKGVJDQY-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CC1CCCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038352445 1344393437 /nfs/dbraw/zinc/39/34/37/1344393437.db2.gz HKKVPUWSAORVDO-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CC1CCCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038352445 1344393438 /nfs/dbraw/zinc/39/34/38/1344393438.db2.gz HKKVPUWSAORVDO-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CC1CCCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038352445 1344393442 /nfs/dbraw/zinc/39/34/42/1344393442.db2.gz HKKVPUWSAORVDO-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001038444496 1344430678 /nfs/dbraw/zinc/43/06/78/1344430678.db2.gz MVSKHYYAQBVRAP-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001038444496 1344430680 /nfs/dbraw/zinc/43/06/80/1344430680.db2.gz MVSKHYYAQBVRAP-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001038444496 1344430684 /nfs/dbraw/zinc/43/06/84/1344430684.db2.gz MVSKHYYAQBVRAP-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038622006 1344508817 /nfs/dbraw/zinc/50/88/17/1344508817.db2.gz LQKPIPBEBYTSIN-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038622006 1344508820 /nfs/dbraw/zinc/50/88/20/1344508820.db2.gz LQKPIPBEBYTSIN-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001038622006 1344508822 /nfs/dbraw/zinc/50/88/22/1344508822.db2.gz LQKPIPBEBYTSIN-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001038646162 1344520419 /nfs/dbraw/zinc/52/04/19/1344520419.db2.gz OURXULSUQCDRPP-GOSISDBHSA-N 2 1 345.487 3.036 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001038646162 1344520422 /nfs/dbraw/zinc/52/04/22/1344520422.db2.gz OURXULSUQCDRPP-GOSISDBHSA-N 2 1 345.487 3.036 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC001038908367 1344646029 /nfs/dbraw/zinc/64/60/29/1344646029.db2.gz IXXMDDDGNRLJAB-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC001038908367 1344646033 /nfs/dbraw/zinc/64/60/33/1344646033.db2.gz IXXMDDDGNRLJAB-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001038908367 1344646036 /nfs/dbraw/zinc/64/60/36/1344646036.db2.gz IXXMDDDGNRLJAB-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001038908367 1344646040 /nfs/dbraw/zinc/64/60/40/1344646040.db2.gz IXXMDDDGNRLJAB-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137475 1344817440 /nfs/dbraw/zinc/81/74/40/1344817440.db2.gz HFZBQNHMFKSYCQ-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039137475 1344817443 /nfs/dbraw/zinc/81/74/43/1344817443.db2.gz HFZBQNHMFKSYCQ-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039137475 1344817447 /nfs/dbraw/zinc/81/74/47/1344817447.db2.gz HFZBQNHMFKSYCQ-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC1CCCC1)[NH+](C)C ZINC001039681638 1345157918 /nfs/dbraw/zinc/15/79/18/1345157918.db2.gz KZYDKHYWJCSSDD-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC1CCCC1)[NH+](C)C ZINC001039919892 1345245955 /nfs/dbraw/zinc/24/59/55/1345245955.db2.gz KZYDKHYWJCSSDD-ZCNNSNEGSA-N 2 1 349.563 3.362 20 0 EGADMP O=C(C[NH+]1CCCC1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001040005738 1345284722 /nfs/dbraw/zinc/28/47/22/1345284722.db2.gz CZDJIUGTCLQWQJ-BGYRXZFFSA-N 2 1 347.547 3.118 20 0 EGADMP CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001040350034 1345448201 /nfs/dbraw/zinc/44/82/01/1345448201.db2.gz IXNULSIGODTCLL-PZJWPPBQSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001040350034 1345448204 /nfs/dbraw/zinc/44/82/04/1345448204.db2.gz IXNULSIGODTCLL-PZJWPPBQSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001040350034 1345448205 /nfs/dbraw/zinc/44/82/05/1345448205.db2.gz IXNULSIGODTCLL-PZJWPPBQSA-N 2 1 347.547 3.118 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040393416 1345473624 /nfs/dbraw/zinc/47/36/24/1345473624.db2.gz BOUXNXLUICNRTA-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001040393416 1345473626 /nfs/dbraw/zinc/47/36/26/1345473626.db2.gz BOUXNXLUICNRTA-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001040393416 1345473627 /nfs/dbraw/zinc/47/36/27/1345473627.db2.gz BOUXNXLUICNRTA-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040432241 1345494581 /nfs/dbraw/zinc/49/45/81/1345494581.db2.gz NLAMWOCROZDPRG-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC)C2 ZINC001040489598 1345516969 /nfs/dbraw/zinc/51/69/69/1345516969.db2.gz VXAVSDYVQFPQJY-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC)C2 ZINC001040489598 1345516970 /nfs/dbraw/zinc/51/69/70/1345516970.db2.gz VXAVSDYVQFPQJY-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC)C2 ZINC001040489598 1345516971 /nfs/dbraw/zinc/51/69/71/1345516971.db2.gz VXAVSDYVQFPQJY-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)=CC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040733276 1345572503 /nfs/dbraw/zinc/57/25/03/1345572503.db2.gz RFIJMCPOHWAXGH-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424585 1345725495 /nfs/dbraw/zinc/72/54/95/1345725495.db2.gz LZNMRWVWOQBKIO-OAQYLSRUSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001041424585 1345725498 /nfs/dbraw/zinc/72/54/98/1345725498.db2.gz LZNMRWVWOQBKIO-OAQYLSRUSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001041424585 1345725499 /nfs/dbraw/zinc/72/54/99/1345725499.db2.gz LZNMRWVWOQBKIO-OAQYLSRUSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCC3CCCC3)C2)C1)[NH+](C)C ZINC001041644806 1345808809 /nfs/dbraw/zinc/80/88/09/1345808809.db2.gz GZTUKALBZIRVMC-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041724489 1345833056 /nfs/dbraw/zinc/83/30/56/1345833056.db2.gz YYXGQGQSZIDAOU-FPOVZHCZSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041724489 1345833060 /nfs/dbraw/zinc/83/30/60/1345833060.db2.gz YYXGQGQSZIDAOU-FPOVZHCZSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041724489 1345833062 /nfs/dbraw/zinc/83/30/62/1345833062.db2.gz YYXGQGQSZIDAOU-FPOVZHCZSA-N 2 1 347.547 3.140 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042233080 1345998747 /nfs/dbraw/zinc/99/87/47/1345998747.db2.gz CJGAJMUYJFNQCD-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042233080 1345998749 /nfs/dbraw/zinc/99/87/49/1345998749.db2.gz CJGAJMUYJFNQCD-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042233080 1345998751 /nfs/dbraw/zinc/99/87/51/1345998751.db2.gz CJGAJMUYJFNQCD-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1C[NH+](CCC2CCCC2)C1 ZINC001042924778 1346125366 /nfs/dbraw/zinc/12/53/66/1346125366.db2.gz UTJAVWQEOMATKM-HXUWFJFHSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)C12CCC[NH+]1CCC2)C1C[NH+](CCC2CCCCCC2)C1 ZINC001043220133 1346153827 /nfs/dbraw/zinc/15/38/27/1346153827.db2.gz XVRNRVFWTOULAH-UHFFFAOYSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CCC2CCCCC2)C1 ZINC001044006516 1346232446 /nfs/dbraw/zinc/23/24/46/1346232446.db2.gz QDLJVZIYSFOGTB-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CCC2CCCCC2)C1 ZINC001044006516 1346232450 /nfs/dbraw/zinc/23/24/50/1346232450.db2.gz QDLJVZIYSFOGTB-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1C[NH+](CCC2=CCCCC2)C1 ZINC001044034099 1346237233 /nfs/dbraw/zinc/23/72/33/1346237233.db2.gz DLNMXHJYZVNHOL-QUCCMNQESA-N 2 1 345.531 3.036 20 0 EGADMP CN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1C[NH+](CCC2=CCCCC2)C1 ZINC001044034099 1346237236 /nfs/dbraw/zinc/23/72/36/1346237236.db2.gz DLNMXHJYZVNHOL-QUCCMNQESA-N 2 1 345.531 3.036 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044628679 1346387120 /nfs/dbraw/zinc/38/71/20/1346387120.db2.gz IQWZFGJOHYPPPR-MJGOQNOKSA-N 2 1 347.547 3.330 20 0 EGADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001045167459 1346513841 /nfs/dbraw/zinc/51/38/41/1346513841.db2.gz YDZZPFTYDOMIPL-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)C1 ZINC001045226153 1346535455 /nfs/dbraw/zinc/53/54/55/1346535455.db2.gz KDPSAFXMTDXKND-ABHNRTSZSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CCC3=CCCCC3)CC2)CC[N@H+]1C ZINC001045443807 1346595275 /nfs/dbraw/zinc/59/52/75/1346595275.db2.gz XLTRKEMCSLUETL-IEBWSBKVSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1)[NH+](C)C ZINC001045842146 1346717200 /nfs/dbraw/zinc/71/72/00/1346717200.db2.gz XGIKNKPGNHDZDK-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@]2(C)CC[NH+](CCCC3CCC3)C2)C1 ZINC001046562323 1347017994 /nfs/dbraw/zinc/01/79/94/1347017994.db2.gz MJFPXDJRSLLIKL-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCCC3CCC3)C2)C1 ZINC001046562323 1347017996 /nfs/dbraw/zinc/01/79/96/1347017996.db2.gz MJFPXDJRSLLIKL-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001046562323 1347018000 /nfs/dbraw/zinc/01/80/00/1347018000.db2.gz MJFPXDJRSLLIKL-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CC3CCC3)C2)o1 ZINC001046863819 1347137169 /nfs/dbraw/zinc/13/71/69/1347137169.db2.gz ILONLALIDICSFV-HXUWFJFHSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCC1)C2)[NH+]1CCCCC1 ZINC001047074256 1347201749 /nfs/dbraw/zinc/20/17/49/1347201749.db2.gz YBRFZZJPTDJGHZ-FHWLQOOXSA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](C(C)C)C3)o1 ZINC001047209804 1347245244 /nfs/dbraw/zinc/24/52/44/1347245244.db2.gz XFXXBPDCGJUVCQ-BBWFWOEESA-N 2 1 347.503 3.113 20 0 EGADMP CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001047241111 1347267807 /nfs/dbraw/zinc/26/78/07/1347267807.db2.gz LBAXRZATLNWGFX-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001048527537 1347578550 /nfs/dbraw/zinc/57/85/50/1347578550.db2.gz ROTZOEHDIYDJAM-UHZRXMQZSA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001048527537 1347578552 /nfs/dbraw/zinc/57/85/52/1347578552.db2.gz ROTZOEHDIYDJAM-UHZRXMQZSA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001048527537 1347578553 /nfs/dbraw/zinc/57/85/53/1347578553.db2.gz ROTZOEHDIYDJAM-UHZRXMQZSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001048590597 1347609948 /nfs/dbraw/zinc/60/99/48/1347609948.db2.gz PYOXZUKFXQBQHN-FNLKRUPLSA-N 2 1 343.515 3.129 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC1CCCCC1 ZINC001049369412 1347808148 /nfs/dbraw/zinc/80/81/48/1347808148.db2.gz OCYSXRCKQLUDTQ-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CCCCC1 ZINC001049369412 1347808150 /nfs/dbraw/zinc/80/81/50/1347808150.db2.gz OCYSXRCKQLUDTQ-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CCCCC1 ZINC001049369412 1347808153 /nfs/dbraw/zinc/80/81/53/1347808153.db2.gz OCYSXRCKQLUDTQ-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC1=CCCCC1 ZINC001049370512 1347808734 /nfs/dbraw/zinc/80/87/34/1347808734.db2.gz VYBQTEZKAXDCHY-XUVXKRRUSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1=CCCCC1 ZINC001049370512 1347808738 /nfs/dbraw/zinc/80/87/38/1347808738.db2.gz VYBQTEZKAXDCHY-XUVXKRRUSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1=CCCCC1 ZINC001049370512 1347808742 /nfs/dbraw/zinc/80/87/42/1347808742.db2.gz VYBQTEZKAXDCHY-XUVXKRRUSA-N 2 1 345.531 3.036 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC001049504217 1347881328 /nfs/dbraw/zinc/88/13/28/1347881328.db2.gz FABHQGXKUGPITB-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCC1 ZINC001049504217 1347881330 /nfs/dbraw/zinc/88/13/30/1347881330.db2.gz FABHQGXKUGPITB-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCC1 ZINC001049504217 1347881333 /nfs/dbraw/zinc/88/13/33/1347881333.db2.gz FABHQGXKUGPITB-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCCC1)C1CCC1 ZINC001049522038 1347890006 /nfs/dbraw/zinc/89/00/06/1347890006.db2.gz NZQVGUNHAZFFKA-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCCC1)C1CCC1 ZINC001049522038 1347890008 /nfs/dbraw/zinc/89/00/08/1347890008.db2.gz NZQVGUNHAZFFKA-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCCC1)C1CCC1 ZINC001049522038 1347890011 /nfs/dbraw/zinc/89/00/11/1347890011.db2.gz NZQVGUNHAZFFKA-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC1CCCC1)C1CCC1 ZINC001049522426 1347890956 /nfs/dbraw/zinc/89/09/56/1347890956.db2.gz PZCWBSHSHZVJLF-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CCCC1)C1CCC1 ZINC001049522426 1347890957 /nfs/dbraw/zinc/89/09/57/1347890957.db2.gz PZCWBSHSHZVJLF-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CCCC1)C1CCC1 ZINC001049522426 1347890960 /nfs/dbraw/zinc/89/09/60/1347890960.db2.gz PZCWBSHSHZVJLF-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCC1)[NH+]1CCCC1 ZINC001049630619 1347944030 /nfs/dbraw/zinc/94/40/30/1347944030.db2.gz RPZTZXHBNKGCQJ-RTBURBONSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049768682 1348011193 /nfs/dbraw/zinc/01/11/93/1348011193.db2.gz YPJUFGMKXBAOBK-VAMGGRTRSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001049768682 1348011194 /nfs/dbraw/zinc/01/11/94/1348011194.db2.gz YPJUFGMKXBAOBK-VAMGGRTRSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001049768682 1348011195 /nfs/dbraw/zinc/01/11/95/1348011195.db2.gz YPJUFGMKXBAOBK-VAMGGRTRSA-N 2 1 349.563 3.361 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1C ZINC001079805332 1357388026 /nfs/dbraw/zinc/38/80/26/1357388026.db2.gz NIUCAIIVQYSFEM-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1C ZINC001079805332 1357388031 /nfs/dbraw/zinc/38/80/31/1357388031.db2.gz NIUCAIIVQYSFEM-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1C ZINC001079805332 1357388034 /nfs/dbraw/zinc/38/80/34/1357388034.db2.gz NIUCAIIVQYSFEM-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049908350 1348105951 /nfs/dbraw/zinc/10/59/51/1348105951.db2.gz HVHMXJKYRHLOGI-UXHICEINSA-N 2 1 343.515 3.083 20 0 EGADMP CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001050050177 1348165817 /nfs/dbraw/zinc/16/58/17/1348165817.db2.gz WLMVXIMHTCKCHZ-OKZBNKHCSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001050050177 1348165820 /nfs/dbraw/zinc/16/58/20/1348165820.db2.gz WLMVXIMHTCKCHZ-OKZBNKHCSA-N 2 1 346.519 3.120 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](CC3CCC(C)CC3)C[C@H]21)[NH+](C)C ZINC001050143808 1348194916 /nfs/dbraw/zinc/19/49/16/1348194916.db2.gz AFSBLAJMXFDDLZ-RNUBBMKBSA-N 2 1 349.563 3.076 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001050164872 1348201540 /nfs/dbraw/zinc/20/15/40/1348201540.db2.gz NEBSDGAQROLZLO-VQTJNVASSA-N 2 1 343.515 3.085 20 0 EGADMP C[N@H+](Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C)CC1CCCC1 ZINC001050244811 1348217288 /nfs/dbraw/zinc/21/72/88/1348217288.db2.gz GRCLRBHTBLAMBG-HXUWFJFHSA-N 2 1 343.515 3.019 20 0 EGADMP C[NH+](Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C)CC1CCCC1 ZINC001050244811 1348217291 /nfs/dbraw/zinc/21/72/91/1348217291.db2.gz GRCLRBHTBLAMBG-HXUWFJFHSA-N 2 1 343.515 3.019 20 0 EGADMP C[NH+](Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C)CC1CCCC1 ZINC001050244811 1348217292 /nfs/dbraw/zinc/21/72/92/1348217292.db2.gz GRCLRBHTBLAMBG-HXUWFJFHSA-N 2 1 343.515 3.019 20 0 EGADMP CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001050252380 1348218721 /nfs/dbraw/zinc/21/87/21/1348218721.db2.gz JALVZTOBJRPSAE-LJQANCHMSA-N 2 1 331.504 3.017 20 0 EGADMP CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001050252380 1348218723 /nfs/dbraw/zinc/21/87/23/1348218723.db2.gz JALVZTOBJRPSAE-LJQANCHMSA-N 2 1 331.504 3.017 20 0 EGADMP CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001050252380 1348218724 /nfs/dbraw/zinc/21/87/24/1348218724.db2.gz JALVZTOBJRPSAE-LJQANCHMSA-N 2 1 331.504 3.017 20 0 EGADMP CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001050252378 1348218876 /nfs/dbraw/zinc/21/88/76/1348218876.db2.gz JALVZTOBJRPSAE-IBGZPJMESA-N 2 1 331.504 3.017 20 0 EGADMP CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001050252378 1348218879 /nfs/dbraw/zinc/21/88/79/1348218879.db2.gz JALVZTOBJRPSAE-IBGZPJMESA-N 2 1 331.504 3.017 20 0 EGADMP CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001050252378 1348218880 /nfs/dbraw/zinc/21/88/80/1348218880.db2.gz JALVZTOBJRPSAE-IBGZPJMESA-N 2 1 331.504 3.017 20 0 EGADMP C[C@H]([NH2+]CC1CCCC1)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001050257502 1348220693 /nfs/dbraw/zinc/22/06/93/1348220693.db2.gz IYMQIRPVOUELPE-OXJNMPFZSA-N 2 1 343.515 3.238 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCCC2)CC1 ZINC001050302681 1348227919 /nfs/dbraw/zinc/22/79/19/1348227919.db2.gz MZTJJLHKCYRLBH-UFYCRDLUSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001050374090 1348242422 /nfs/dbraw/zinc/24/24/22/1348242422.db2.gz NAHIYWCHSFNGSI-UFYCRDLUSA-N 2 1 349.563 3.314 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001050543692 1348286860 /nfs/dbraw/zinc/28/68/60/1348286860.db2.gz KCKZTTDWKKUNIK-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCc2c(CNC(=O)c3ccn4c[nH+]cc4c3)cccc2C1 ZINC001051292624 1348421449 /nfs/dbraw/zinc/42/14/49/1348421449.db2.gz BAJOTVZURBYSNP-UHFFFAOYSA-N 2 1 348.450 3.031 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001052498673 1348559441 /nfs/dbraw/zinc/55/94/41/1348559441.db2.gz JFFHMTUUEXANDW-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001052498673 1348559443 /nfs/dbraw/zinc/55/94/43/1348559443.db2.gz JFFHMTUUEXANDW-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001052498673 1348559444 /nfs/dbraw/zinc/55/94/44/1348559444.db2.gz JFFHMTUUEXANDW-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052516660 1348564252 /nfs/dbraw/zinc/56/42/52/1348564252.db2.gz QHNQRWLVGMKRHK-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052516660 1348564253 /nfs/dbraw/zinc/56/42/53/1348564253.db2.gz QHNQRWLVGMKRHK-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052516660 1348564254 /nfs/dbraw/zinc/56/42/54/1348564254.db2.gz QHNQRWLVGMKRHK-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1)[NH+]1CCCC1 ZINC001052619032 1348597926 /nfs/dbraw/zinc/59/79/26/1348597926.db2.gz BVUPYVDNFARJMK-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CCCC3CCCC3)CC2)C1 ZINC001052712381 1348644791 /nfs/dbraw/zinc/64/47/91/1348644791.db2.gz HTFCLJOZXJUMFX-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCCC3CCCC3)CC2)C1 ZINC001052712381 1348644796 /nfs/dbraw/zinc/64/47/96/1348644796.db2.gz HTFCLJOZXJUMFX-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCCC3CCCC3)CC2)C1 ZINC001052712381 1348644800 /nfs/dbraw/zinc/64/48/00/1348644800.db2.gz HTFCLJOZXJUMFX-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052787834 1348679587 /nfs/dbraw/zinc/67/95/87/1348679587.db2.gz MQTXPOUQBZYBGG-FQEVSTJZSA-N 2 1 343.515 3.299 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](CCCC3CCCC3)CC2)C1 ZINC001052868805 1348710607 /nfs/dbraw/zinc/71/06/07/1348710607.db2.gz YEWRBMGHVZYUTC-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@H+](CCCC3CCCC3)CC2)C1 ZINC001052868805 1348710609 /nfs/dbraw/zinc/71/06/09/1348710609.db2.gz YEWRBMGHVZYUTC-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@@H+](CCCC3CCCC3)CC2)C1 ZINC001052868805 1348710612 /nfs/dbraw/zinc/71/06/12/1348710612.db2.gz YEWRBMGHVZYUTC-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001052937625 1348756931 /nfs/dbraw/zinc/75/69/31/1348756931.db2.gz MLEGINNVLBQEBE-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052953723 1348768052 /nfs/dbraw/zinc/76/80/52/1348768052.db2.gz GTJZHGGGPKNYEN-HXUWFJFHSA-N 2 1 343.515 3.299 20 0 EGADMP CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052967567 1348778252 /nfs/dbraw/zinc/77/82/52/1348778252.db2.gz JNZFHPDPNBFYET-INIZCTEOSA-N 2 1 335.492 3.116 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053028460 1348827066 /nfs/dbraw/zinc/82/70/66/1348827066.db2.gz MEABUGWMKNKLLF-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053028460 1348827069 /nfs/dbraw/zinc/82/70/69/1348827069.db2.gz MEABUGWMKNKLLF-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053028460 1348827072 /nfs/dbraw/zinc/82/70/72/1348827072.db2.gz MEABUGWMKNKLLF-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053102868 1348936276 /nfs/dbraw/zinc/93/62/76/1348936276.db2.gz WPBGDTCQEWLBEL-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001054156232 1349158847 /nfs/dbraw/zinc/15/88/47/1349158847.db2.gz KOABHVWMVAGZRB-NRFANRHFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001054156232 1349158848 /nfs/dbraw/zinc/15/88/48/1349158848.db2.gz KOABHVWMVAGZRB-NRFANRHFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001054156232 1349158849 /nfs/dbraw/zinc/15/88/49/1349158849.db2.gz KOABHVWMVAGZRB-NRFANRHFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1)[NH+](C)C ZINC001054198736 1349200121 /nfs/dbraw/zinc/20/01/21/1349200121.db2.gz FPCZTDAMCZFUOA-RXVVDRJESA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001054214017 1349213063 /nfs/dbraw/zinc/21/30/63/1349213063.db2.gz OYCWNLKUXJXVTH-OAQYLSRUSA-N 2 1 343.515 3.086 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245137 1349239014 /nfs/dbraw/zinc/23/90/14/1349239014.db2.gz OYVIGABTVTVPDF-FPOVZHCZSA-N 2 1 349.563 3.223 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NCc2ccc3c(c2)C[NH+](CCC(C)(C)C)C3)C1 ZINC001054292235 1349298092 /nfs/dbraw/zinc/29/80/92/1349298092.db2.gz WIVRKDUBIGHRQJ-GOSISDBHSA-N 2 1 343.515 3.006 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NCc2ccc3c(c2)C[N@@H+](CCC(C)(C)C)C3)C1 ZINC001054292235 1349298098 /nfs/dbraw/zinc/29/80/98/1349298098.db2.gz WIVRKDUBIGHRQJ-GOSISDBHSA-N 2 1 343.515 3.006 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NCc2ccc3c(c2)C[N@H+](CCC(C)(C)C)C3)C1 ZINC001054292235 1349298106 /nfs/dbraw/zinc/29/81/06/1349298106.db2.gz WIVRKDUBIGHRQJ-GOSISDBHSA-N 2 1 343.515 3.006 20 0 EGADMP CC1CCC(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001054297690 1349301718 /nfs/dbraw/zinc/30/17/18/1349301718.db2.gz YWGWATAHOWQEIK-KPZODNFCSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080442946 1357622603 /nfs/dbraw/zinc/62/26/03/1357622603.db2.gz UHAQHOYGZMXWNH-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001080442946 1357622609 /nfs/dbraw/zinc/62/26/09/1357622609.db2.gz UHAQHOYGZMXWNH-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001080442946 1357622613 /nfs/dbraw/zinc/62/26/13/1357622613.db2.gz UHAQHOYGZMXWNH-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554161 1357677256 /nfs/dbraw/zinc/67/72/56/1357677256.db2.gz DOYXQRQHJGYFBC-WSTZPKSXSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001080557040 1357678627 /nfs/dbraw/zinc/67/86/27/1357678627.db2.gz CISRHEDFSAGPFC-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C ZINC001080557040 1357678632 /nfs/dbraw/zinc/67/86/32/1357678632.db2.gz CISRHEDFSAGPFC-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C ZINC001080557040 1357678633 /nfs/dbraw/zinc/67/86/33/1357678633.db2.gz CISRHEDFSAGPFC-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071600632 1354788866 /nfs/dbraw/zinc/78/88/66/1354788866.db2.gz OLAIYKAYOYWLPW-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[N@@H+]1CC1CCCC1 ZINC001071769578 1354916223 /nfs/dbraw/zinc/91/62/23/1354916223.db2.gz UDWKDPBMFVIJCP-YJBOKZPZSA-N 2 1 347.503 3.114 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[N@H+]1CC1CCCC1 ZINC001071769578 1354916228 /nfs/dbraw/zinc/91/62/28/1354916228.db2.gz UDWKDPBMFVIJCP-YJBOKZPZSA-N 2 1 347.503 3.114 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CCC1CCCCC1 ZINC001071794794 1354939953 /nfs/dbraw/zinc/93/99/53/1354939953.db2.gz FQBOUUZNOUNEDF-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001071998197 1355065736 /nfs/dbraw/zinc/06/57/36/1355065736.db2.gz HHYRGHXNVDHLKX-RDJZCZTQSA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001071998197 1355065737 /nfs/dbraw/zinc/06/57/37/1355065737.db2.gz HHYRGHXNVDHLKX-RDJZCZTQSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CC1CCC2(CC2)CC1 ZINC001072081451 1355119076 /nfs/dbraw/zinc/11/90/76/1355119076.db2.gz MAHONLKMUMLRIY-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072095773 1355127827 /nfs/dbraw/zinc/12/78/27/1355127827.db2.gz OCCWJYKKFLCVAI-XLIONFOSSA-N 2 1 345.531 3.377 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001072882593 1355482828 /nfs/dbraw/zinc/48/28/28/1355482828.db2.gz FRWCDBYZLSJJBE-KRWDZBQOSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001072882593 1355482831 /nfs/dbraw/zinc/48/28/31/1355482831.db2.gz FRWCDBYZLSJJBE-KRWDZBQOSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001072882593 1355482832 /nfs/dbraw/zinc/48/28/32/1355482832.db2.gz FRWCDBYZLSJJBE-KRWDZBQOSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC001073478565 1355812619 /nfs/dbraw/zinc/81/26/19/1355812619.db2.gz OQWPSIFUXLCYJR-UHFFFAOYSA-N 2 1 347.503 3.069 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CCC1 ZINC001074024062 1356040245 /nfs/dbraw/zinc/04/02/45/1356040245.db2.gz VZCLTKNIRJIDST-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC001074024062 1356040248 /nfs/dbraw/zinc/04/02/48/1356040248.db2.gz VZCLTKNIRJIDST-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC001074024062 1356040250 /nfs/dbraw/zinc/04/02/50/1356040250.db2.gz VZCLTKNIRJIDST-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@H+](Cc1ccsc1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001074050914 1356055067 /nfs/dbraw/zinc/05/50/67/1356055067.db2.gz UOEKLYJQGLXWPE-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001074050914 1356055071 /nfs/dbraw/zinc/05/50/71/1356055071.db2.gz UOEKLYJQGLXWPE-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001074050914 1356055075 /nfs/dbraw/zinc/05/50/75/1356055075.db2.gz UOEKLYJQGLXWPE-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC001074063677 1356062361 /nfs/dbraw/zinc/06/23/61/1356062361.db2.gz QGRFTJNZDDQUFM-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCCC1 ZINC001074063677 1356062365 /nfs/dbraw/zinc/06/23/65/1356062365.db2.gz QGRFTJNZDDQUFM-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCCC1 ZINC001074063677 1356062368 /nfs/dbraw/zinc/06/23/68/1356062368.db2.gz QGRFTJNZDDQUFM-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001074101234 1356084463 /nfs/dbraw/zinc/08/44/63/1356084463.db2.gz IZDUQSNSISKKMI-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)[C@@H]1C ZINC001074649444 1356221242 /nfs/dbraw/zinc/22/12/42/1356221242.db2.gz YMRIASRSGFQYEJ-IHPCNDPISA-N 2 1 347.547 3.329 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CC2CCC3(CC3)CC2)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001074813528 1356251451 /nfs/dbraw/zinc/25/14/51/1356251451.db2.gz JJNPMPOLKDJWST-WDSOQIARSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001074813703 1356251554 /nfs/dbraw/zinc/25/15/54/1356251554.db2.gz MNXIHRCLBCAJDU-IHPCNDPISA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458912 1356391436 /nfs/dbraw/zinc/39/14/36/1356391436.db2.gz SPIKJFUIFYAPNV-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458912 1356391439 /nfs/dbraw/zinc/39/14/39/1356391439.db2.gz SPIKJFUIFYAPNV-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458912 1356391442 /nfs/dbraw/zinc/39/14/42/1356391442.db2.gz SPIKJFUIFYAPNV-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001082559400 1358057006 /nfs/dbraw/zinc/05/70/06/1358057006.db2.gz DQBRJNNKHCBFHT-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001082783197 1358092444 /nfs/dbraw/zinc/09/24/44/1358092444.db2.gz GYKZFBSYULJDNG-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001082943346 1358107054 /nfs/dbraw/zinc/10/70/54/1358107054.db2.gz FGPPEHAOECKXFM-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[NH+](CCC(C)(C)C)C[C@H]21 ZINC001084405657 1358207638 /nfs/dbraw/zinc/20/76/38/1358207638.db2.gz XILXCPIBPWORHM-GUDVDZBRSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001084405657 1358207640 /nfs/dbraw/zinc/20/76/40/1358207640.db2.gz XILXCPIBPWORHM-GUDVDZBRSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001084405657 1358207643 /nfs/dbraw/zinc/20/76/43/1358207643.db2.gz XILXCPIBPWORHM-GUDVDZBRSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084469656 1358220739 /nfs/dbraw/zinc/22/07/39/1358220739.db2.gz GQBKZGWGGXCWQR-ZHALLVOQSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084469656 1358220741 /nfs/dbraw/zinc/22/07/41/1358220741.db2.gz GQBKZGWGGXCWQR-ZHALLVOQSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084469656 1358220744 /nfs/dbraw/zinc/22/07/44/1358220744.db2.gz GQBKZGWGGXCWQR-ZHALLVOQSA-N 2 1 349.563 3.218 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCCN1Cc1ccccc1 ZINC001183582314 1387321008 /nfs/dbraw/zinc/32/10/08/1387321008.db2.gz LJSZFLWAFXWOIP-NRFANRHFSA-N 2 1 329.532 3.315 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001084940164 1358351978 /nfs/dbraw/zinc/35/19/78/1358351978.db2.gz IPXUEVPKNPENJI-QRVBRYPASA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049702 1358378768 /nfs/dbraw/zinc/37/87/68/1358378768.db2.gz SMWYJDVMXOZOHG-AQNXPRMDSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001085049702 1358378769 /nfs/dbraw/zinc/37/87/69/1358378769.db2.gz SMWYJDVMXOZOHG-AQNXPRMDSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@H]21 ZINC001085049702 1358378770 /nfs/dbraw/zinc/37/87/70/1358378770.db2.gz SMWYJDVMXOZOHG-AQNXPRMDSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085100861 1358391112 /nfs/dbraw/zinc/39/11/12/1358391112.db2.gz HYMYOHZJGNKOOD-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001085100861 1358391116 /nfs/dbraw/zinc/39/11/16/1358391116.db2.gz HYMYOHZJGNKOOD-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@@H]21 ZINC001085100861 1358391122 /nfs/dbraw/zinc/39/11/22/1358391122.db2.gz HYMYOHZJGNKOOD-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCC2)C1 ZINC001085333365 1358470369 /nfs/dbraw/zinc/47/03/69/1358470369.db2.gz MQMUZRMVYTXHMF-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001183760375 1387344661 /nfs/dbraw/zinc/34/46/61/1387344661.db2.gz WQZDNSVLRJJGKJ-LJQANCHMSA-N 2 1 345.531 3.231 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001183764972 1387345696 /nfs/dbraw/zinc/34/56/96/1387345696.db2.gz LBHXCIPZWIVHKD-QZTJIDSGSA-N 2 1 345.531 3.285 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001085628851 1358646628 /nfs/dbraw/zinc/64/66/28/1358646628.db2.gz GOLYLETVUBQGJY-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001085628851 1358646633 /nfs/dbraw/zinc/64/66/33/1358646633.db2.gz GOLYLETVUBQGJY-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCCC1 ZINC001085628851 1358646635 /nfs/dbraw/zinc/64/66/35/1358646635.db2.gz GOLYLETVUBQGJY-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085698978 1358692695 /nfs/dbraw/zinc/69/26/95/1358692695.db2.gz BNZDPNRFRVYOPE-VQIMIIECSA-N 2 1 348.450 3.242 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085698976 1358693780 /nfs/dbraw/zinc/69/37/80/1358693780.db2.gz BNZDPNRFRVYOPE-LPHOPBHVSA-N 2 1 348.450 3.242 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC(CC)CC)C1 ZINC001085779403 1358753017 /nfs/dbraw/zinc/75/30/17/1358753017.db2.gz UWCRZHQEDZTNEG-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC(CC)CC)C1 ZINC001085779403 1358753024 /nfs/dbraw/zinc/75/30/24/1358753024.db2.gz UWCRZHQEDZTNEG-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC(CC)CC)C1 ZINC001085779403 1358753026 /nfs/dbraw/zinc/75/30/26/1358753026.db2.gz UWCRZHQEDZTNEG-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2CCCCC2)C1 ZINC001085779341 1358753339 /nfs/dbraw/zinc/75/33/39/1358753339.db2.gz SQEDWWADHCPVBI-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC2CCCCC2)C1 ZINC001085779341 1358753342 /nfs/dbraw/zinc/75/33/42/1358753342.db2.gz SQEDWWADHCPVBI-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC2CCCCC2)C1 ZINC001085779341 1358753346 /nfs/dbraw/zinc/75/33/46/1358753346.db2.gz SQEDWWADHCPVBI-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCC1CC1)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085782066 1358757660 /nfs/dbraw/zinc/75/76/60/1358757660.db2.gz MFKBXWBOJJGLGL-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CCC1CC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782066 1358757664 /nfs/dbraw/zinc/75/76/64/1358757664.db2.gz MFKBXWBOJJGLGL-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CCC1CC1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782066 1358757666 /nfs/dbraw/zinc/75/76/66/1358757666.db2.gz MFKBXWBOJJGLGL-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC2CCCCC2)CC1 ZINC001085902988 1358860952 /nfs/dbraw/zinc/86/09/52/1358860952.db2.gz RYHWORZJBSCHIE-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC(C)C ZINC001085919047 1358878696 /nfs/dbraw/zinc/87/86/96/1358878696.db2.gz RHVZLIKMABBMCC-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(C)C ZINC001085919047 1358878697 /nfs/dbraw/zinc/87/86/97/1358878697.db2.gz RHVZLIKMABBMCC-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)C ZINC001085919047 1358878698 /nfs/dbraw/zinc/87/86/98/1358878698.db2.gz RHVZLIKMABBMCC-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC001086122780 1359002855 /nfs/dbraw/zinc/00/28/55/1359002855.db2.gz YFHLATGNBKQEMJ-RAUXBKROSA-N 2 1 343.515 3.025 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086175076 1359015045 /nfs/dbraw/zinc/01/50/45/1359015045.db2.gz GDEKEFBEQMKAEW-SLFFLAALSA-N 2 1 349.563 3.173 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001086177392 1359016404 /nfs/dbraw/zinc/01/64/04/1359016404.db2.gz RVSSHZOHFRZWOO-FRYIKTPZSA-N 2 1 347.547 3.092 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086382803 1359083659 /nfs/dbraw/zinc/08/36/59/1359083659.db2.gz YLITVCQSWXQZQG-QGZVKYPTSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001086497454 1359120558 /nfs/dbraw/zinc/12/05/58/1359120558.db2.gz MKYPIDAXQDDJBY-VAMGGRTRSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001086497405 1359120734 /nfs/dbraw/zinc/12/07/34/1359120734.db2.gz KOLGEXFZRIMWJL-UFYCRDLUSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086784837 1359201246 /nfs/dbraw/zinc/20/12/46/1359201246.db2.gz WGSZONARIKUFMN-YQVWRLOYSA-N 2 1 335.536 3.066 20 0 EGADMP CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086784795 1359201269 /nfs/dbraw/zinc/20/12/69/1359201269.db2.gz TWFSGEQXKFTMGA-NLWGTHIKSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCCC1 ZINC001087165706 1359312406 /nfs/dbraw/zinc/31/24/06/1359312406.db2.gz ILESZNHTJQEPTH-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001087175614 1359313703 /nfs/dbraw/zinc/31/37/03/1359313703.db2.gz XDBODZSFVPPHRG-APWZRJJASA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001087303494 1359386833 /nfs/dbraw/zinc/38/68/33/1359386833.db2.gz MLXAYAJBMDCHHY-NZSAHSFTSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001087303494 1359386835 /nfs/dbraw/zinc/38/68/35/1359386835.db2.gz MLXAYAJBMDCHHY-NZSAHSFTSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001087303494 1359386838 /nfs/dbraw/zinc/38/68/38/1359386838.db2.gz MLXAYAJBMDCHHY-NZSAHSFTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1CCCCC1 ZINC001087684568 1359588119 /nfs/dbraw/zinc/58/81/19/1359588119.db2.gz AOYIHHOTYLHLDS-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CC1CCCCC1 ZINC001087774079 1359636852 /nfs/dbraw/zinc/63/68/52/1359636852.db2.gz XBGHSTQSFUQQGO-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[N@H+]1CCC(C)C ZINC001087781065 1359640947 /nfs/dbraw/zinc/64/09/47/1359640947.db2.gz PFQQCYYUYFUJMP-RBUKOAKNSA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1CC ZINC001087791098 1359647354 /nfs/dbraw/zinc/64/73/54/1359647354.db2.gz VUKUGKVMSSQAOW-LSTHTHJFSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@H+]1CCCC1CCC1 ZINC001087840879 1359674771 /nfs/dbraw/zinc/67/47/71/1359674771.db2.gz RYNUYPVOFLVTOR-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC[NH+]1CCCC1CCC1 ZINC001087840879 1359674774 /nfs/dbraw/zinc/67/47/74/1359674774.db2.gz RYNUYPVOFLVTOR-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC[NH+]1CCCC1CCC1 ZINC001087840879 1359674778 /nfs/dbraw/zinc/67/47/78/1359674778.db2.gz RYNUYPVOFLVTOR-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001087963760 1359720942 /nfs/dbraw/zinc/72/09/42/1359720942.db2.gz GJKZMCTXVNJXLM-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001087963760 1359720945 /nfs/dbraw/zinc/72/09/45/1359720945.db2.gz GJKZMCTXVNJXLM-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001087963760 1359720948 /nfs/dbraw/zinc/72/09/48/1359720948.db2.gz GJKZMCTXVNJXLM-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CC[N@H+]1CC[C@@H](C2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)CC2)C1 ZINC001323636577 1387413641 /nfs/dbraw/zinc/41/36/41/1387413641.db2.gz FFCLHBHNUNWOQX-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH2+][C@H](C)CC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC001348853148 1391275729 /nfs/dbraw/zinc/27/57/29/1391275729.db2.gz RVOHUNYBJSWQMJ-DAXOMENPSA-N 2 1 341.293 3.257 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CCC1CCCCCC1 ZINC001088493508 1359940439 /nfs/dbraw/zinc/94/04/39/1359940439.db2.gz NMYXNPBJKOKABQ-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CCC1CCCCCC1 ZINC001088493508 1359940449 /nfs/dbraw/zinc/94/04/49/1359940449.db2.gz NMYXNPBJKOKABQ-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CCC1CCCCCC1 ZINC001088493508 1359940452 /nfs/dbraw/zinc/94/04/52/1359940452.db2.gz NMYXNPBJKOKABQ-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1CCC1CC1 ZINC001088569558 1359976449 /nfs/dbraw/zinc/97/64/49/1359976449.db2.gz YVIWYZJDOCNSQC-KPFFTGBYSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1CCC1CC1 ZINC001088569558 1359976453 /nfs/dbraw/zinc/97/64/53/1359976453.db2.gz YVIWYZJDOCNSQC-KPFFTGBYSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1CCC1CC1 ZINC001088569558 1359976457 /nfs/dbraw/zinc/97/64/57/1359976457.db2.gz YVIWYZJDOCNSQC-KPFFTGBYSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC001088600572 1359987407 /nfs/dbraw/zinc/98/74/07/1359987407.db2.gz XLSGEALJBOPMOI-LZWOXQAQSA-N 2 1 337.533 3.048 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC001088600572 1359987409 /nfs/dbraw/zinc/98/74/09/1359987409.db2.gz XLSGEALJBOPMOI-LZWOXQAQSA-N 2 1 337.533 3.048 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2csc(C)c2)[C@@H]1C ZINC001088605470 1359988521 /nfs/dbraw/zinc/98/85/21/1359988521.db2.gz UCJGCNZFRGOKLV-NJAFHUGGSA-N 2 1 349.544 3.010 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2csc(C)c2)[C@@H]1C ZINC001088605470 1359988528 /nfs/dbraw/zinc/98/85/28/1359988528.db2.gz UCJGCNZFRGOKLV-NJAFHUGGSA-N 2 1 349.544 3.010 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2csc(C)c2)[C@@H]1C ZINC001088605470 1359988532 /nfs/dbraw/zinc/98/85/32/1359988532.db2.gz UCJGCNZFRGOKLV-NJAFHUGGSA-N 2 1 349.544 3.010 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCCC3CCC3)[C@@H]2C)C1 ZINC001088617137 1359992583 /nfs/dbraw/zinc/99/25/83/1359992583.db2.gz ZYOOWVVRYIHBPE-HOJAQTOUSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CCCC3CCC3)[C@@H]2C)C1 ZINC001088617137 1359992587 /nfs/dbraw/zinc/99/25/87/1359992587.db2.gz ZYOOWVVRYIHBPE-HOJAQTOUSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCCC3CCC3)[C@@H]2C)C1 ZINC001088617137 1359992599 /nfs/dbraw/zinc/99/25/99/1359992599.db2.gz ZYOOWVVRYIHBPE-HOJAQTOUSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1CC1CCCC1 ZINC001088621934 1359994487 /nfs/dbraw/zinc/99/44/87/1359994487.db2.gz AFZYESPVPYWTDU-UXPWSPDFSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1CC1CCCC1 ZINC001088621934 1359994494 /nfs/dbraw/zinc/99/44/94/1359994494.db2.gz AFZYESPVPYWTDU-UXPWSPDFSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1CC1CCCC1 ZINC001088621934 1359994499 /nfs/dbraw/zinc/99/44/99/1359994499.db2.gz AFZYESPVPYWTDU-UXPWSPDFSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC3CC(C)(C)C3)[C@@H]2C)C1 ZINC001088810294 1360058525 /nfs/dbraw/zinc/05/85/25/1360058525.db2.gz VCSXWUIWKPWFOG-QRQLOZEOSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CC(C)(C)C3)[C@@H]2C)C1 ZINC001088810294 1360058529 /nfs/dbraw/zinc/05/85/29/1360058529.db2.gz VCSXWUIWKPWFOG-QRQLOZEOSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CC(C)(C)C3)[C@@H]2C)C1 ZINC001088810294 1360058533 /nfs/dbraw/zinc/05/85/33/1360058533.db2.gz VCSXWUIWKPWFOG-QRQLOZEOSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H]1C ZINC001088890885 1360093466 /nfs/dbraw/zinc/09/34/66/1360093466.db2.gz RAGOTHOYBCBCHG-AEFFLSMTSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)[C@@H]1C ZINC001088890885 1360093469 /nfs/dbraw/zinc/09/34/69/1360093469.db2.gz RAGOTHOYBCBCHG-AEFFLSMTSA-N 2 1 346.519 3.166 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897400 1360097549 /nfs/dbraw/zinc/09/75/49/1360097549.db2.gz IECSENWGVNZHOH-GGPKGHCWSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001089220966 1360264609 /nfs/dbraw/zinc/26/46/09/1360264609.db2.gz VPMOSGSPIJYSRX-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089380540 1360382992 /nfs/dbraw/zinc/38/29/92/1360382992.db2.gz FJZVLLPTZFZKQV-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001089380540 1360382994 /nfs/dbraw/zinc/38/29/94/1360382994.db2.gz FJZVLLPTZFZKQV-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1 ZINC001089380540 1360382998 /nfs/dbraw/zinc/38/29/98/1360382998.db2.gz FJZVLLPTZFZKQV-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430793 1360422908 /nfs/dbraw/zinc/42/29/08/1360422908.db2.gz UADOVDGSOWGVBE-KRWDZBQOSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089475471 1360458573 /nfs/dbraw/zinc/45/85/73/1360458573.db2.gz BLQUFDLHVZIJDO-QGZVFWFLSA-N 2 1 349.519 3.218 20 0 EGADMP CC1(C)C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+](CCC2CCCC2)C1 ZINC001089562548 1360510151 /nfs/dbraw/zinc/51/01/51/1360510151.db2.gz HOTSTITVIUJEPV-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+](CCCC2CCC2)C1 ZINC001089563074 1360510338 /nfs/dbraw/zinc/51/03/38/1360510338.db2.gz OJLXDDAAZDVEQI-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCCC1CCC1 ZINC001089617113 1360537341 /nfs/dbraw/zinc/53/73/41/1360537341.db2.gz UNIVZSFFRZVJGO-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCC1CCC1 ZINC001089617113 1360537345 /nfs/dbraw/zinc/53/73/45/1360537345.db2.gz UNIVZSFFRZVJGO-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCC1CCC1 ZINC001089617113 1360537348 /nfs/dbraw/zinc/53/73/48/1360537348.db2.gz UNIVZSFFRZVJGO-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001089659212 1360570927 /nfs/dbraw/zinc/57/09/27/1360570927.db2.gz VKMSREIBSIFPHH-QZTJIDSGSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001089659212 1360570929 /nfs/dbraw/zinc/57/09/29/1360570929.db2.gz VKMSREIBSIFPHH-QZTJIDSGSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089659212 1360570933 /nfs/dbraw/zinc/57/09/33/1360570933.db2.gz VKMSREIBSIFPHH-QZTJIDSGSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089659212 1360570936 /nfs/dbraw/zinc/57/09/36/1360570936.db2.gz VKMSREIBSIFPHH-QZTJIDSGSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCCC3CCCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091780597 1361219288 /nfs/dbraw/zinc/21/92/88/1361219288.db2.gz RSENFRBTLZAPFF-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001323990380 1387504911 /nfs/dbraw/zinc/50/49/11/1387504911.db2.gz IAPUMJVPWMNXOI-ZYSHUDEJSA-N 2 1 331.504 3.429 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056809 1361517057 /nfs/dbraw/zinc/51/70/57/1361517057.db2.gz QSSQWSLLGIPTMH-YLJYHZDGSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001093372538 1361582089 /nfs/dbraw/zinc/58/20/89/1361582089.db2.gz FJRGBUPMPUIGQN-RBUKOAKNSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CC1CCCCCC1 ZINC001093865494 1361708361 /nfs/dbraw/zinc/70/83/61/1361708361.db2.gz KVDFLADLQHORFL-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1cnn(C)c1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001324075690 1387530057 /nfs/dbraw/zinc/53/00/57/1387530057.db2.gz IAMUBBQBVKRZTA-IHWFROFDSA-N 2 1 338.499 3.404 20 0 EGADMP Cc1cnn(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001324075690 1387530063 /nfs/dbraw/zinc/53/00/63/1387530063.db2.gz IAMUBBQBVKRZTA-IHWFROFDSA-N 2 1 338.499 3.404 20 0 EGADMP Cc1cnn(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001324075690 1387530067 /nfs/dbraw/zinc/53/00/67/1387530067.db2.gz IAMUBBQBVKRZTA-IHWFROFDSA-N 2 1 338.499 3.404 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430288 1361799233 /nfs/dbraw/zinc/79/92/33/1361799233.db2.gz KCYDIISZZDORKS-NLWGTHIKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)CCC[C@@H]12 ZINC001094430288 1361799237 /nfs/dbraw/zinc/79/92/37/1361799237.db2.gz KCYDIISZZDORKS-NLWGTHIKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3CCC)CCC[C@@H]12 ZINC001094430288 1361799240 /nfs/dbraw/zinc/79/92/40/1361799240.db2.gz KCYDIISZZDORKS-NLWGTHIKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC)CC2 ZINC001094557371 1361858611 /nfs/dbraw/zinc/85/86/11/1361858611.db2.gz UXDURKUZEWEBKI-QWFCFKBJSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC)CC2 ZINC001094557371 1361858615 /nfs/dbraw/zinc/85/86/15/1361858615.db2.gz UXDURKUZEWEBKI-QWFCFKBJSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC)CC2 ZINC001094557371 1361858618 /nfs/dbraw/zinc/85/86/18/1361858618.db2.gz UXDURKUZEWEBKI-QWFCFKBJSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001095532633 1362162889 /nfs/dbraw/zinc/16/28/89/1362162889.db2.gz JTNMBAFRMLTVNG-YRPNKDGESA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1 ZINC001095532633 1362162890 /nfs/dbraw/zinc/16/28/90/1362162890.db2.gz JTNMBAFRMLTVNG-YRPNKDGESA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001095532633 1362162891 /nfs/dbraw/zinc/16/28/91/1362162891.db2.gz JTNMBAFRMLTVNG-YRPNKDGESA-N 2 1 347.547 3.161 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001095533879 1362163719 /nfs/dbraw/zinc/16/37/19/1362163719.db2.gz RMLUGCDMAVGTMT-ZRNYENFQSA-N 2 1 349.563 3.407 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001095533879 1362163720 /nfs/dbraw/zinc/16/37/20/1362163720.db2.gz RMLUGCDMAVGTMT-ZRNYENFQSA-N 2 1 349.563 3.407 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001095533879 1362163723 /nfs/dbraw/zinc/16/37/23/1362163723.db2.gz RMLUGCDMAVGTMT-ZRNYENFQSA-N 2 1 349.563 3.407 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001095668936 1362199176 /nfs/dbraw/zinc/19/91/76/1362199176.db2.gz YKYKXAVXMGGUBM-FUMNGEBKSA-N 2 1 349.563 3.265 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001095668936 1362199177 /nfs/dbraw/zinc/19/91/77/1362199177.db2.gz YKYKXAVXMGGUBM-FUMNGEBKSA-N 2 1 349.563 3.265 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001095668936 1362199178 /nfs/dbraw/zinc/19/91/78/1362199178.db2.gz YKYKXAVXMGGUBM-FUMNGEBKSA-N 2 1 349.563 3.265 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H](CC)c1ccccc1 ZINC001324263455 1387573646 /nfs/dbraw/zinc/57/36/46/1387573646.db2.gz LWXGDBZUNLYDAK-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001097063065 1362829246 /nfs/dbraw/zinc/82/92/46/1362829246.db2.gz DQKPLOOHFOXDIV-YSTOQKLRSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001097063065 1362829249 /nfs/dbraw/zinc/82/92/49/1362829249.db2.gz DQKPLOOHFOXDIV-YSTOQKLRSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001097063065 1362829254 /nfs/dbraw/zinc/82/92/54/1362829254.db2.gz DQKPLOOHFOXDIV-YSTOQKLRSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001097971931 1363184335 /nfs/dbraw/zinc/18/43/35/1363184335.db2.gz LEMHTVQZKOLNCX-MKXGPGLRSA-N 2 1 335.536 3.019 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001098463715 1363333190 /nfs/dbraw/zinc/33/31/90/1363333190.db2.gz CHVDYNFLDDWRDR-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001098463715 1363333193 /nfs/dbraw/zinc/33/31/93/1363333193.db2.gz CHVDYNFLDDWRDR-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001098463715 1363333196 /nfs/dbraw/zinc/33/31/96/1363333196.db2.gz CHVDYNFLDDWRDR-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001185120288 1387622742 /nfs/dbraw/zinc/62/27/42/1387622742.db2.gz QCEHFAVILPQWDW-QUOWSDGJSA-N 2 1 347.547 3.330 20 0 EGADMP CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001098836263 1363487308 /nfs/dbraw/zinc/48/73/08/1363487308.db2.gz AELCAFVKCQHFRX-WFXMLNOXSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001098836263 1363487312 /nfs/dbraw/zinc/48/73/12/1363487312.db2.gz AELCAFVKCQHFRX-WFXMLNOXSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001098836263 1363487313 /nfs/dbraw/zinc/48/73/13/1363487313.db2.gz AELCAFVKCQHFRX-WFXMLNOXSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001099059937 1363600342 /nfs/dbraw/zinc/60/03/42/1363600342.db2.gz RDMYOWBBZGETRG-DYXWJJEUSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001099106186 1363625112 /nfs/dbraw/zinc/62/51/12/1363625112.db2.gz CJXPYQMJKYAVCV-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001099106186 1363625115 /nfs/dbraw/zinc/62/51/15/1363625115.db2.gz CJXPYQMJKYAVCV-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001099106186 1363625116 /nfs/dbraw/zinc/62/51/16/1363625116.db2.gz CJXPYQMJKYAVCV-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccccc1)[NH+](C)C ZINC001099125332 1363637997 /nfs/dbraw/zinc/63/79/97/1363637997.db2.gz DFNBKMDHNNZMQQ-RTBURBONSA-N 2 1 345.531 3.134 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001099129814 1363641495 /nfs/dbraw/zinc/64/14/95/1363641495.db2.gz BDEHYHJTCOULQA-QGZVFWFLSA-N 2 1 337.552 3.290 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC=C(C)C ZINC001099129814 1363641499 /nfs/dbraw/zinc/64/14/99/1363641499.db2.gz BDEHYHJTCOULQA-QGZVFWFLSA-N 2 1 337.552 3.290 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC=C(C)C ZINC001099129814 1363641503 /nfs/dbraw/zinc/64/15/03/1363641503.db2.gz BDEHYHJTCOULQA-QGZVFWFLSA-N 2 1 337.552 3.290 20 0 EGADMP CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[NH+]1C/C=C\Cl ZINC001099130286 1363641815 /nfs/dbraw/zinc/64/18/15/1363641815.db2.gz KAXGZZGSMFRJCS-MEODZPNASA-N 2 1 343.943 3.076 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[NH+]1C/C=C\Cl ZINC001099130286 1363641819 /nfs/dbraw/zinc/64/18/19/1363641819.db2.gz KAXGZZGSMFRJCS-MEODZPNASA-N 2 1 343.943 3.076 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1C/C=C\Cl ZINC001099130286 1363641823 /nfs/dbraw/zinc/64/18/23/1363641823.db2.gz KAXGZZGSMFRJCS-MEODZPNASA-N 2 1 343.943 3.076 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1C/C=C\Cl ZINC001099130286 1363641825 /nfs/dbraw/zinc/64/18/25/1363641825.db2.gz KAXGZZGSMFRJCS-MEODZPNASA-N 2 1 343.943 3.076 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccccc1 ZINC001099276082 1363727091 /nfs/dbraw/zinc/72/70/91/1363727091.db2.gz MYSSYLFRSJGBRS-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099311280 1363744926 /nfs/dbraw/zinc/74/49/26/1363744926.db2.gz ZKRBVLWZPWGXJO-PWBPZBFBSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001099311280 1363744930 /nfs/dbraw/zinc/74/49/30/1363744930.db2.gz ZKRBVLWZPWGXJO-PWBPZBFBSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001099311280 1363744934 /nfs/dbraw/zinc/74/49/34/1363744934.db2.gz ZKRBVLWZPWGXJO-PWBPZBFBSA-N 2 1 349.563 3.291 20 0 EGADMP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340776 1363761343 /nfs/dbraw/zinc/76/13/43/1363761343.db2.gz YWWPZKYCVGESFV-SFHVURJKSA-N 2 1 348.535 3.235 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340776 1363761345 /nfs/dbraw/zinc/76/13/45/1363761345.db2.gz YWWPZKYCVGESFV-SFHVURJKSA-N 2 1 348.535 3.235 20 0 EGADMP CC(C)C[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185235513 1387657693 /nfs/dbraw/zinc/65/76/93/1387657693.db2.gz PKKDJOSGCKTPIR-ZWKOTPCHSA-N 2 1 348.535 3.127 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001100383203 1364097251 /nfs/dbraw/zinc/09/72/51/1364097251.db2.gz PQIYCWIWJJJVGY-MHJFOBGBSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)(C)CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001100406008 1364104086 /nfs/dbraw/zinc/10/40/86/1364104086.db2.gz XJHGUEXELFKCBV-OFLPRAFFSA-N 2 1 346.519 3.071 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100407021 1364104262 /nfs/dbraw/zinc/10/42/62/1364104262.db2.gz UWORDPGVJVPCNC-ABHNRTSZSA-N 2 1 337.552 3.170 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100471258 1364126999 /nfs/dbraw/zinc/12/69/99/1364126999.db2.gz WJDKREADXIFXJL-ABHNRTSZSA-N 2 1 337.552 3.027 20 0 EGADMP CC/C=C/CC[NH2+]C1CC(CNC(=O)C[N@H+](C)CCCCCC)C1 ZINC001100765215 1364251600 /nfs/dbraw/zinc/25/16/00/1364251600.db2.gz YJTOTZBURLYUHD-SOFGYWHQSA-N 2 1 337.552 3.339 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC([NH2+]CCCC(C)C)C1 ZINC001100765111 1364251607 /nfs/dbraw/zinc/25/16/07/1364251607.db2.gz UBQVXAQVXHETGB-UHFFFAOYSA-N 2 1 339.568 3.419 20 0 EGADMP CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001100848211 1364289396 /nfs/dbraw/zinc/28/93/96/1364289396.db2.gz CDMKWFWMPJBITQ-CIMBFISJSA-N 2 1 349.563 3.482 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCC(C)C)C1 ZINC001100848369 1364289878 /nfs/dbraw/zinc/28/98/78/1364289878.db2.gz JDAAWTGRFVYFCG-CTWPCTMYSA-N 2 1 337.552 3.172 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001101036022 1364383182 /nfs/dbraw/zinc/38/31/82/1364383182.db2.gz GZVRGIDMMYXRRY-RFEKHPBVSA-N 2 1 335.536 3.092 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001101036020 1364383327 /nfs/dbraw/zinc/38/33/27/1364383327.db2.gz GZVRGIDMMYXRRY-OLFFVLKBSA-N 2 1 335.536 3.092 20 0 EGADMP C[N@@H+](CC(=O)N1C[C@H]2C[NH+](CCCC(C)(C)C)C[C@@]2(C)C1)C1CCC1 ZINC001101268732 1364493189 /nfs/dbraw/zinc/49/31/89/1364493189.db2.gz RUXOTABJINUKAL-UTKZUKDTSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1C[C@H]2C[N@H+](CCCC(C)(C)C)C[C@@]2(C)C1)C1CCC1 ZINC001101268732 1364493191 /nfs/dbraw/zinc/49/31/91/1364493191.db2.gz RUXOTABJINUKAL-UTKZUKDTSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1C[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@@]2(C)C1)C1CCC1 ZINC001101268732 1364493192 /nfs/dbraw/zinc/49/31/92/1364493192.db2.gz RUXOTABJINUKAL-UTKZUKDTSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313595 1364505910 /nfs/dbraw/zinc/50/59/10/1364505910.db2.gz FGDYNBFAZIQWNQ-GGPKGHCWSA-N 2 1 349.563 3.077 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101435232 1364562093 /nfs/dbraw/zinc/56/20/93/1364562093.db2.gz DSRMOSHBNLGFFG-POBZOTIWSA-N 2 1 349.563 3.245 20 0 EGADMP CC(C)(C)CC[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101473997 1364575467 /nfs/dbraw/zinc/57/54/67/1364575467.db2.gz AKTSORRPKPTKOC-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001101555815 1364616794 /nfs/dbraw/zinc/61/67/94/1364616794.db2.gz JPWZERATSKLBRN-UHFFFAOYSA-N 2 1 348.535 3.236 20 0 EGADMP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001101573989 1364628402 /nfs/dbraw/zinc/62/84/02/1364628402.db2.gz MMLNNRCCJROOOD-SFHVURJKSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001101963328 1364792405 /nfs/dbraw/zinc/79/24/05/1364792405.db2.gz VJWXAVSXAUPMDD-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001101963328 1364792407 /nfs/dbraw/zinc/79/24/07/1364792407.db2.gz VJWXAVSXAUPMDD-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001101963328 1364792411 /nfs/dbraw/zinc/79/24/11/1364792411.db2.gz VJWXAVSXAUPMDD-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102060591 1364828789 /nfs/dbraw/zinc/82/87/89/1364828789.db2.gz HRFOYFNHZNXPOX-AHSYYPKJSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001102060591 1364828793 /nfs/dbraw/zinc/82/87/93/1364828793.db2.gz HRFOYFNHZNXPOX-AHSYYPKJSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001102060591 1364828797 /nfs/dbraw/zinc/82/87/97/1364828797.db2.gz HRFOYFNHZNXPOX-AHSYYPKJSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102061951 1364829480 /nfs/dbraw/zinc/82/94/80/1364829480.db2.gz NZTUBMQZWXGBLC-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001102061951 1364829486 /nfs/dbraw/zinc/82/94/86/1364829486.db2.gz NZTUBMQZWXGBLC-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001102061951 1364829490 /nfs/dbraw/zinc/82/94/90/1364829490.db2.gz NZTUBMQZWXGBLC-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C)[NH+](CC)CC ZINC001102357691 1365021002 /nfs/dbraw/zinc/02/10/02/1365021002.db2.gz FRDNLJDLFSJHGK-KZNAEPCWSA-N 2 1 339.568 3.227 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001102493122 1365084642 /nfs/dbraw/zinc/08/46/42/1365084642.db2.gz XJGCQXXBHGXPSA-YKMDAGRBSA-N 2 1 349.563 3.147 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102782293 1365215679 /nfs/dbraw/zinc/21/56/79/1365215679.db2.gz KJESHYVOUCFIQL-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001102782293 1365215682 /nfs/dbraw/zinc/21/56/82/1365215682.db2.gz KJESHYVOUCFIQL-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001102782293 1365215693 /nfs/dbraw/zinc/21/56/93/1365215693.db2.gz KJESHYVOUCFIQL-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001103148102 1365409638 /nfs/dbraw/zinc/40/96/38/1365409638.db2.gz OIAAMURBKJTBSS-PFRNKHFKSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001103148102 1365409641 /nfs/dbraw/zinc/40/96/41/1365409641.db2.gz OIAAMURBKJTBSS-PFRNKHFKSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001103148102 1365409642 /nfs/dbraw/zinc/40/96/42/1365409642.db2.gz OIAAMURBKJTBSS-PFRNKHFKSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103149800 1365410588 /nfs/dbraw/zinc/41/05/88/1365410588.db2.gz MFHUECHVVIYZKT-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001103149800 1365410590 /nfs/dbraw/zinc/41/05/90/1365410590.db2.gz MFHUECHVVIYZKT-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001103149800 1365410592 /nfs/dbraw/zinc/41/05/92/1365410592.db2.gz MFHUECHVVIYZKT-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185749 1365425140 /nfs/dbraw/zinc/42/51/40/1365425140.db2.gz OEEAHLDZMNYIKR-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103407471 1365542107 /nfs/dbraw/zinc/54/21/07/1365542107.db2.gz DUXJGRQBSIIJPF-FORFBYLSSA-N 2 1 337.552 3.003 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103408565 1365542858 /nfs/dbraw/zinc/54/28/58/1365542858.db2.gz IIFIHJQQDRLMAZ-BHIYHBOVSA-N 2 1 339.568 3.083 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001103438401 1365561325 /nfs/dbraw/zinc/56/13/25/1365561325.db2.gz GKYIWAQLVWICNH-KZNAEPCWSA-N 2 1 339.568 3.085 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001103438401 1365561327 /nfs/dbraw/zinc/56/13/27/1365561327.db2.gz GKYIWAQLVWICNH-KZNAEPCWSA-N 2 1 339.568 3.085 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001103438401 1365561328 /nfs/dbraw/zinc/56/13/28/1365561328.db2.gz GKYIWAQLVWICNH-KZNAEPCWSA-N 2 1 339.568 3.085 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[C@@H]2C[N@H+](C(C)C)C[C@H]2C)o1 ZINC001103773775 1365777301 /nfs/dbraw/zinc/77/73/01/1365777301.db2.gz QJBTZHJAWWZQNG-IAGOWNOFSA-N 2 1 349.519 3.218 20 0 EGADMP CC(C)[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104579242 1366085471 /nfs/dbraw/zinc/08/54/71/1366085471.db2.gz LNDWCGPRBGTMCG-GGPKGHCWSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC001185751029 1387789656 /nfs/dbraw/zinc/78/96/56/1387789656.db2.gz NPQCWXIDKQEILU-AZUAARDMSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001105066962 1366304363 /nfs/dbraw/zinc/30/43/63/1366304363.db2.gz HKTHXLPCCKZQLT-VJQBDMSCSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)CCC1 ZINC001105574690 1366539544 /nfs/dbraw/zinc/53/95/44/1366539544.db2.gz FCUMTPIQJQDDMN-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106111715 1366612121 /nfs/dbraw/zinc/61/21/21/1366612121.db2.gz PYCCWRXHMGZWTO-QSMUSEHHSA-N 2 1 349.563 3.290 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001106210977 1366624460 /nfs/dbraw/zinc/62/44/60/1366624460.db2.gz LIBPTGPEBWIXBW-ODWICZQRSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106726926 1366782156 /nfs/dbraw/zinc/78/21/56/1366782156.db2.gz CUHIPMQMWDMPSM-RCCFBDPRSA-N 2 1 348.535 3.127 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCCCC)[C@H](C)C1 ZINC001106775489 1366794678 /nfs/dbraw/zinc/79/46/78/1366794678.db2.gz KHWMXPDKVOGLMB-RTBURBONSA-N 2 1 339.568 3.373 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107040499 1366863804 /nfs/dbraw/zinc/86/38/04/1366863804.db2.gz GZNYIVXYEJYINO-GUDVDZBRSA-N 2 1 345.531 3.080 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107436408 1366962839 /nfs/dbraw/zinc/96/28/39/1366962839.db2.gz YMXCCXXOGGOMCN-NLWGTHIKSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107436408 1366962841 /nfs/dbraw/zinc/96/28/41/1366962841.db2.gz YMXCCXXOGGOMCN-NLWGTHIKSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001107436408 1366962844 /nfs/dbraw/zinc/96/28/44/1366962844.db2.gz YMXCCXXOGGOMCN-NLWGTHIKSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436652 1366962987 /nfs/dbraw/zinc/96/29/87/1366962987.db2.gz IXWFUTKJDNCHGQ-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107454406 1366968875 /nfs/dbraw/zinc/96/88/75/1366968875.db2.gz GKHXYKUKCMAWGO-YLJYHZDGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@H+](C)CC)CCC[C@@H]12 ZINC001107454406 1366968876 /nfs/dbraw/zinc/96/88/76/1366968876.db2.gz GKHXYKUKCMAWGO-YLJYHZDGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@@H+](C)CC)CCC[C@@H]12 ZINC001107454406 1366968880 /nfs/dbraw/zinc/96/88/80/1366968880.db2.gz GKHXYKUKCMAWGO-YLJYHZDGSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189311837 1366985469 /nfs/dbraw/zinc/98/54/69/1366985469.db2.gz NIKVKGCJGDSJFY-XMLJFVSMSA-N 2 1 347.547 3.140 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCC(C)(C)C)CC3)CC1 ZINC001107520828 1367016235 /nfs/dbraw/zinc/01/62/35/1367016235.db2.gz GEHVPPPZPVDNBH-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2 ZINC001107546933 1367036970 /nfs/dbraw/zinc/03/69/70/1367036970.db2.gz UCDSWVLOKBFAQQ-WAOWUJCRSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)(C)C)CC2 ZINC001107546933 1367036974 /nfs/dbraw/zinc/03/69/74/1367036974.db2.gz UCDSWVLOKBFAQQ-WAOWUJCRSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)(C)C)CC2 ZINC001107546933 1367036977 /nfs/dbraw/zinc/03/69/77/1367036977.db2.gz UCDSWVLOKBFAQQ-WAOWUJCRSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCC1)CC2 ZINC001107546910 1367037321 /nfs/dbraw/zinc/03/73/21/1367037321.db2.gz SWFDRPXZQMHVOX-YFVAEKQCSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2 ZINC001107546910 1367037327 /nfs/dbraw/zinc/03/73/27/1367037327.db2.gz SWFDRPXZQMHVOX-YFVAEKQCSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2 ZINC001107546910 1367037334 /nfs/dbraw/zinc/03/73/34/1367037334.db2.gz SWFDRPXZQMHVOX-YFVAEKQCSA-N 2 1 347.547 3.022 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609571 1367070454 /nfs/dbraw/zinc/07/04/54/1367070454.db2.gz XQTATYIPBDCOCN-BAPOODPFSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609571 1367070459 /nfs/dbraw/zinc/07/04/59/1367070459.db2.gz XQTATYIPBDCOCN-BAPOODPFSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609571 1367070462 /nfs/dbraw/zinc/07/04/62/1367070462.db2.gz XQTATYIPBDCOCN-BAPOODPFSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189646093 1367077390 /nfs/dbraw/zinc/07/73/90/1367077390.db2.gz HRWRJGSLTIVQAK-SLFFLAALSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001189646093 1367077396 /nfs/dbraw/zinc/07/73/96/1367077396.db2.gz HRWRJGSLTIVQAK-SLFFLAALSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189646093 1367077399 /nfs/dbraw/zinc/07/73/99/1367077399.db2.gz HRWRJGSLTIVQAK-SLFFLAALSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107635193 1367085535 /nfs/dbraw/zinc/08/55/35/1367085535.db2.gz JEXRHANMFSHQCZ-UYAOXDASSA-N 2 1 335.536 3.023 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2 ZINC001107644759 1367090720 /nfs/dbraw/zinc/09/07/20/1367090720.db2.gz GOSAFJBDAKYVJA-TZIWHRDSSA-N 2 1 347.547 3.023 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001189913461 1367130621 /nfs/dbraw/zinc/13/06/21/1367130621.db2.gz RIRPPNBONTUNPW-YSIASYRMSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001189913461 1367130627 /nfs/dbraw/zinc/13/06/27/1367130627.db2.gz RIRPPNBONTUNPW-YSIASYRMSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001189913461 1367130629 /nfs/dbraw/zinc/13/06/29/1367130629.db2.gz RIRPPNBONTUNPW-YSIASYRMSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCCC2)C1 ZINC001190084750 1367168374 /nfs/dbraw/zinc/16/83/74/1367168374.db2.gz RQSVSHRTPRPJNR-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001190084750 1367168378 /nfs/dbraw/zinc/16/83/78/1367168378.db2.gz RQSVSHRTPRPJNR-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001190084750 1367168383 /nfs/dbraw/zinc/16/83/83/1367168383.db2.gz RQSVSHRTPRPJNR-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)(C)CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190324694 1367226664 /nfs/dbraw/zinc/22/66/64/1367226664.db2.gz LGBYXOJGHOGPEV-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001109635410 1367255589 /nfs/dbraw/zinc/25/55/89/1367255589.db2.gz BDSMAYKUYQPUOL-ZRNYENFQSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001109635410 1367255593 /nfs/dbraw/zinc/25/55/93/1367255593.db2.gz BDSMAYKUYQPUOL-ZRNYENFQSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001109635410 1367255597 /nfs/dbraw/zinc/25/55/97/1367255597.db2.gz BDSMAYKUYQPUOL-ZRNYENFQSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109800611 1367328406 /nfs/dbraw/zinc/32/84/06/1367328406.db2.gz IUOMKYNWOSDXNO-MHORFTMASA-N 2 1 346.519 3.164 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109800611 1367328410 /nfs/dbraw/zinc/32/84/10/1367328410.db2.gz IUOMKYNWOSDXNO-MHORFTMASA-N 2 1 346.519 3.164 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109880013 1367378894 /nfs/dbraw/zinc/37/88/94/1367378894.db2.gz WYEKZWVWLLQVRV-ZRNYENFQSA-N 2 1 349.563 3.122 20 0 EGADMP CCc1cccc(C[NH+](C)[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)CC)C2)c1 ZINC001191019599 1367404385 /nfs/dbraw/zinc/40/43/85/1367404385.db2.gz NUVORXUCNHJTFQ-IBGZPJMESA-N 2 1 345.531 3.012 20 0 EGADMP CCc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C2)c1 ZINC001191019599 1367404387 /nfs/dbraw/zinc/40/43/87/1367404387.db2.gz NUVORXUCNHJTFQ-IBGZPJMESA-N 2 1 345.531 3.012 20 0 EGADMP CCc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C2)c1 ZINC001191019599 1367404389 /nfs/dbraw/zinc/40/43/89/1367404389.db2.gz NUVORXUCNHJTFQ-IBGZPJMESA-N 2 1 345.531 3.012 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CCC2CCCCC2)C1 ZINC001191029773 1367405263 /nfs/dbraw/zinc/40/52/63/1367405263.db2.gz NIYGKKDRXRSOSC-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCC(C)(C)C)C1 ZINC001191082359 1367420664 /nfs/dbraw/zinc/42/06/64/1367420664.db2.gz XITPIBMJZGXLPK-QZTJIDSGSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001191082359 1367420667 /nfs/dbraw/zinc/42/06/67/1367420667.db2.gz XITPIBMJZGXLPK-QZTJIDSGSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001191082359 1367420671 /nfs/dbraw/zinc/42/06/71/1367420671.db2.gz XITPIBMJZGXLPK-QZTJIDSGSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191163702 1367436763 /nfs/dbraw/zinc/43/67/63/1367436763.db2.gz ZTLKNTWYJGEQPK-FUHWJXTLSA-N 2 1 342.487 3.163 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001110002899 1367453821 /nfs/dbraw/zinc/45/38/21/1367453821.db2.gz ZUFZGOFQRKBUMZ-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C)c(F)c2)C1 ZINC001191258472 1367460990 /nfs/dbraw/zinc/46/09/90/1367460990.db2.gz NBECNZVKQLCFSU-MRXNPFEDSA-N 2 1 335.467 3.126 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191543804 1367525328 /nfs/dbraw/zinc/52/53/28/1367525328.db2.gz SVPBYDXLJHNFGM-LIXSYLKWSA-N 2 1 349.563 3.388 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001110150640 1367526027 /nfs/dbraw/zinc/52/60/27/1367526027.db2.gz IFWQFKOAXOUQIG-AABGKKOBSA-N 2 1 347.547 3.164 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191986804 1367655961 /nfs/dbraw/zinc/65/59/61/1367655961.db2.gz BVNOFUSGCZVBJJ-JTHGQSKGSA-N 2 1 347.503 3.234 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192016961 1367665878 /nfs/dbraw/zinc/66/58/78/1367665878.db2.gz KLWNNAGIUGZKCL-OALUTQOASA-N 2 1 343.515 3.012 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001192366642 1367764080 /nfs/dbraw/zinc/76/40/80/1367764080.db2.gz APOCRQRXTABBPC-FQEVSTJZSA-N 2 1 345.531 3.127 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192406068 1367774835 /nfs/dbraw/zinc/77/48/35/1367774835.db2.gz AAFQIHOYGQNENN-MJGOQNOKSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192406068 1367774840 /nfs/dbraw/zinc/77/48/40/1367774840.db2.gz AAFQIHOYGQNENN-MJGOQNOKSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192406068 1367774847 /nfs/dbraw/zinc/77/48/47/1367774847.db2.gz AAFQIHOYGQNENN-MJGOQNOKSA-N 2 1 345.531 3.258 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192846815 1367886470 /nfs/dbraw/zinc/88/64/70/1367886470.db2.gz PSIOXUCJVQRSCO-YJJPMGAVSA-N 2 1 343.515 3.251 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917440 1367903610 /nfs/dbraw/zinc/90/36/10/1367903610.db2.gz OMCKESZEWOYRRN-RBUKOAKNSA-N 2 1 339.568 3.466 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917018 1367903894 /nfs/dbraw/zinc/90/38/94/1367903894.db2.gz HRFYPOPQYNQBBM-ROUUACIJSA-N 2 1 325.541 3.076 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001193423491 1368025642 /nfs/dbraw/zinc/02/56/42/1368025642.db2.gz APQMUNILWUSEIK-LJQANCHMSA-N 2 1 337.552 3.388 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862240 1368041442 /nfs/dbraw/zinc/04/14/42/1368041442.db2.gz DYMABORKAQUPOD-QRVBRYPASA-N 2 1 349.563 3.409 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001111021423 1368144384 /nfs/dbraw/zinc/14/43/84/1368144384.db2.gz TVDPWELPIPIXPV-MLHJIOFPSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001111021423 1368144385 /nfs/dbraw/zinc/14/43/85/1368144385.db2.gz TVDPWELPIPIXPV-MLHJIOFPSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001111021423 1368144388 /nfs/dbraw/zinc/14/43/88/1368144388.db2.gz TVDPWELPIPIXPV-MLHJIOFPSA-N 2 1 335.536 3.019 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1)CC(C)(C)C ZINC001111031506 1368147310 /nfs/dbraw/zinc/14/73/10/1368147310.db2.gz WNOJSNZUWIJJPK-QRVBRYPASA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1)CC(C)(C)C ZINC001111031506 1368147314 /nfs/dbraw/zinc/14/73/14/1368147314.db2.gz WNOJSNZUWIJJPK-QRVBRYPASA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1)CC(C)(C)C ZINC001111031506 1368147320 /nfs/dbraw/zinc/14/73/20/1368147320.db2.gz WNOJSNZUWIJJPK-QRVBRYPASA-N 2 1 349.563 3.266 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164391 1368174378 /nfs/dbraw/zinc/17/43/78/1368174378.db2.gz XMKUYCPUPIKGNW-AKHDSKFASA-N 2 1 337.552 3.265 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]([N@@H+](C)CCC(C)(C)C)C2)c1 ZINC001194228694 1368213064 /nfs/dbraw/zinc/21/30/64/1368213064.db2.gz SMOJAENVWGMQPX-IBGZPJMESA-N 2 1 345.531 3.331 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246537 1368217589 /nfs/dbraw/zinc/21/75/89/1368217589.db2.gz OGLDYXDJKXYWCD-OVKVCFKUSA-N 2 1 343.515 3.251 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCCC2)C1 ZINC001194266253 1368220085 /nfs/dbraw/zinc/22/00/85/1368220085.db2.gz MWZCEZCFGRTBSB-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001194266253 1368220087 /nfs/dbraw/zinc/22/00/87/1368220087.db2.gz MWZCEZCFGRTBSB-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001194266253 1368220093 /nfs/dbraw/zinc/22/00/93/1368220093.db2.gz MWZCEZCFGRTBSB-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194273805 1368220708 /nfs/dbraw/zinc/22/07/08/1368220708.db2.gz BDWYTUZEXPTHCT-CLJKYYQGSA-N 2 1 349.563 3.386 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275186 1368222525 /nfs/dbraw/zinc/22/25/25/1368222525.db2.gz PSOWOMCBUZSJSB-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](CCC)CCC)C2 ZINC001111268968 1368235659 /nfs/dbraw/zinc/23/56/59/1368235659.db2.gz KMLGGTLHOCYQIK-QRVBRYPASA-N 2 1 337.552 3.410 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1ccccc1 ZINC001111307256 1368261541 /nfs/dbraw/zinc/26/15/41/1368261541.db2.gz FTNSAQUDDVBBPQ-AFYVEPGGSA-N 2 1 343.515 3.201 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ccccc1 ZINC001111307256 1368261548 /nfs/dbraw/zinc/26/15/48/1368261548.db2.gz FTNSAQUDDVBBPQ-AFYVEPGGSA-N 2 1 343.515 3.201 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ccccc1 ZINC001111307256 1368261551 /nfs/dbraw/zinc/26/15/51/1368261551.db2.gz FTNSAQUDDVBBPQ-AFYVEPGGSA-N 2 1 343.515 3.201 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111416571 1368303919 /nfs/dbraw/zinc/30/39/19/1368303919.db2.gz RCWROUYEGPQIII-FSIHAKKGSA-N 2 1 347.547 3.330 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001111459538 1368310366 /nfs/dbraw/zinc/31/03/66/1368310366.db2.gz BUUFHGHRQXPSSL-AQNXPRMDSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111460503 1368311195 /nfs/dbraw/zinc/31/11/95/1368311195.db2.gz WEZFEFLXKSBMGK-WTGUMLROSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467288 1368311712 /nfs/dbraw/zinc/31/17/12/1368311712.db2.gz DJBSZMXBFCDJGD-YSTOQKLRSA-N 2 1 349.563 3.409 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001111465418 1368312087 /nfs/dbraw/zinc/31/20/87/1368312087.db2.gz UKQVQUPLQXIACA-RPCZBFAQSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001111465418 1368312091 /nfs/dbraw/zinc/31/20/91/1368312091.db2.gz UKQVQUPLQXIACA-RPCZBFAQSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001111465418 1368312099 /nfs/dbraw/zinc/31/20/99/1368312099.db2.gz UKQVQUPLQXIACA-RPCZBFAQSA-N 2 1 347.547 3.329 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111467704 1368313105 /nfs/dbraw/zinc/31/31/05/1368313105.db2.gz SJZDWBYJWHBFHQ-YSTOQKLRSA-N 2 1 349.563 3.409 20 0 EGADMP CN(CCC[N@@H+](C)CCc1cc(Cl)cc(Cl)c1)CC[NH+](C)C ZINC001194882539 1368339765 /nfs/dbraw/zinc/33/97/65/1368339765.db2.gz JJINRSYWIMPIOU-UHFFFAOYSA-N 2 1 346.346 3.351 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001111800043 1368467759 /nfs/dbraw/zinc/46/77/59/1368467759.db2.gz XDZJTGZAPNBSSN-PXNSSMCTSA-N 2 1 340.471 3.109 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864573 1368513232 /nfs/dbraw/zinc/51/32/32/1368513232.db2.gz WXTJYJPXMKHDHZ-ZJOUEHCJSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCCCC1)C2 ZINC001111952573 1368572198 /nfs/dbraw/zinc/57/21/98/1368572198.db2.gz ONQBVALFTCRPDS-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCCCCC1)C2 ZINC001111952573 1368572203 /nfs/dbraw/zinc/57/22/03/1368572203.db2.gz ONQBVALFTCRPDS-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCCCC1)C2 ZINC001111952573 1368572205 /nfs/dbraw/zinc/57/22/05/1368572205.db2.gz ONQBVALFTCRPDS-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001197187265 1368761737 /nfs/dbraw/zinc/76/17/37/1368761737.db2.gz CIOHUOSWHACQCX-UHFFFAOYSA-N 2 1 325.541 3.079 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001197187265 1368761742 /nfs/dbraw/zinc/76/17/42/1368761742.db2.gz CIOHUOSWHACQCX-UHFFFAOYSA-N 2 1 325.541 3.079 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001197187265 1368761745 /nfs/dbraw/zinc/76/17/45/1368761745.db2.gz CIOHUOSWHACQCX-UHFFFAOYSA-N 2 1 325.541 3.079 20 0 EGADMP CCC/C=C\CC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001197300869 1368783641 /nfs/dbraw/zinc/78/36/41/1368783641.db2.gz UIKKGZBNCRDVBY-SREVYHEPSA-N 2 1 346.519 3.287 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001197300869 1368783645 /nfs/dbraw/zinc/78/36/45/1368783645.db2.gz UIKKGZBNCRDVBY-SREVYHEPSA-N 2 1 346.519 3.287 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[NH+](CC2CC(C)C2)CC1 ZINC001197477638 1368822592 /nfs/dbraw/zinc/82/25/92/1368822592.db2.gz LLKVIEZRIQBPHK-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@H+](CC2CC(C)C2)CC1 ZINC001197477638 1368822597 /nfs/dbraw/zinc/82/25/97/1368822597.db2.gz LLKVIEZRIQBPHK-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@@H+](CC2CC(C)C2)CC1 ZINC001197477638 1368822604 /nfs/dbraw/zinc/82/26/04/1368822604.db2.gz LLKVIEZRIQBPHK-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[NH+](C[C@H](C)CC)CC1 ZINC001197478577 1368823567 /nfs/dbraw/zinc/82/35/67/1368823567.db2.gz YRTXIFVSGRIWFB-GOSISDBHSA-N 2 1 325.541 3.079 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@H+](C[C@H](C)CC)CC1 ZINC001197478577 1368823571 /nfs/dbraw/zinc/82/35/71/1368823571.db2.gz YRTXIFVSGRIWFB-GOSISDBHSA-N 2 1 325.541 3.079 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@@H+](C[C@H](C)CC)CC1 ZINC001197478577 1368823578 /nfs/dbraw/zinc/82/35/78/1368823578.db2.gz YRTXIFVSGRIWFB-GOSISDBHSA-N 2 1 325.541 3.079 20 0 EGADMP CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001112529598 1368916106 /nfs/dbraw/zinc/91/61/06/1368916106.db2.gz HAADWLJCXXUAPH-YJKCGTDLSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001198222228 1368983710 /nfs/dbraw/zinc/98/37/10/1368983710.db2.gz VSQWLUIKOPHYKJ-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258811 1368991779 /nfs/dbraw/zinc/99/17/79/1368991779.db2.gz GQLJWZALCRCVAJ-YJJPMGAVSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258810 1368992388 /nfs/dbraw/zinc/99/23/88/1368992388.db2.gz GQLJWZALCRCVAJ-ROUKRRSUSA-N 2 1 349.563 3.388 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC([C@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC001186604197 1387982661 /nfs/dbraw/zinc/98/26/61/1387982661.db2.gz AJIYCPAAPXMNJD-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001199349580 1369212518 /nfs/dbraw/zinc/21/25/18/1369212518.db2.gz KEZQANRJLQYQHQ-UHFFFAOYSA-N 2 1 338.455 3.209 20 0 EGADMP CC[C@H](C(=O)N1CC[NH+](CCC2=CCCCC2)CC1)[NH+](CC)CC ZINC001113341229 1369359501 /nfs/dbraw/zinc/35/95/01/1369359501.db2.gz OXIOCESPQVBNIO-LJQANCHMSA-N 2 1 335.536 3.142 20 0 EGADMP CC(C)OCC[NH+]1CCC(NCc2cnc(C(C)(C)C)s2)CC1 ZINC001200971009 1369459869 /nfs/dbraw/zinc/45/98/69/1369459869.db2.gz HMUKRRTXODEPHE-UHFFFAOYSA-N 2 1 339.549 3.420 20 0 EGADMP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201052603 1369472638 /nfs/dbraw/zinc/47/26/38/1369472638.db2.gz GQIGRSQMSOQCDA-LPHOPBHVSA-N 2 1 335.536 3.020 20 0 EGADMP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001201399953 1369536628 /nfs/dbraw/zinc/53/66/28/1369536628.db2.gz LPBFWEVVUFPLGO-VOFKWLDRSA-N 2 1 335.536 3.044 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC001201408219 1369539149 /nfs/dbraw/zinc/53/91/49/1369539149.db2.gz CDAIUYYNCSRNCX-ZWKOTPCHSA-N 2 1 334.504 3.082 20 0 EGADMP CSCCC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001201689140 1369606623 /nfs/dbraw/zinc/60/66/23/1369606623.db2.gz VGGFAHCIZIUSEG-UHFFFAOYSA-N 2 1 348.556 3.415 20 0 EGADMP CC[C@H](C)C[NH2+]C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001201819000 1369629338 /nfs/dbraw/zinc/62/93/38/1369629338.db2.gz ZEZNCNYGRMYZCG-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]CCCC3CCC3)CC2)C1 ZINC001202144874 1369700641 /nfs/dbraw/zinc/70/06/41/1369700641.db2.gz MKCGPYJJMBHEER-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CCC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001202708485 1369859818 /nfs/dbraw/zinc/85/98/18/1369859818.db2.gz WMUCEWWNMDWHEG-UHFFFAOYSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001202763831 1369883021 /nfs/dbraw/zinc/88/30/21/1369883021.db2.gz IDUIWMPAPCOARP-GOSISDBHSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCC(C)C)C1 ZINC001186980692 1388034932 /nfs/dbraw/zinc/03/49/32/1388034932.db2.gz CMTSWIFSAYVUSH-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C12CCC2)C1CCC1 ZINC001203044559 1369965364 /nfs/dbraw/zinc/96/53/64/1369965364.db2.gz MHCXGGAFSXZOJO-OALUTQOASA-N 2 1 347.547 3.068 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203104711 1369984907 /nfs/dbraw/zinc/98/49/07/1369984907.db2.gz TXMMQGLZHVSPOA-QZTJIDSGSA-N 2 1 349.563 3.314 20 0 EGADMP C[N@@H+](Cc1cccc(F)c1)C1CCN(Cc2ccc(CO)cc2)CC1 ZINC001203193112 1370019089 /nfs/dbraw/zinc/01/90/89/1370019089.db2.gz ILYRYYHKGAYARK-UHFFFAOYSA-N 2 1 342.458 3.414 20 0 EGADMP CC(C)[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203230665 1370032853 /nfs/dbraw/zinc/03/28/53/1370032853.db2.gz PHRAKTNTTVBLNW-QZTJIDSGSA-N 2 1 335.536 3.066 20 0 EGADMP CCc1nc(C)c(CN(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC001203246338 1370037941 /nfs/dbraw/zinc/03/79/41/1370037941.db2.gz FONMYPDKWOMDPW-SFHVURJKSA-N 2 1 326.488 3.377 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC=C(C)C)CC1 ZINC001203283229 1370061920 /nfs/dbraw/zinc/06/19/20/1370061920.db2.gz PZTCUPQUEHFRHT-LJQANCHMSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC([NH2+]C/C=C\Cl)CC1)c1ccccc1 ZINC001203312221 1370077687 /nfs/dbraw/zinc/07/76/87/1370077687.db2.gz BJLCYFSQCCNFAD-IKPBFSQCSA-N 2 1 349.906 3.013 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC([NH2+]CC[C@@H](C)F)CC1)c1ccccc1 ZINC001203313517 1370078648 /nfs/dbraw/zinc/07/86/48/1370078648.db2.gz SCZDKYFXOZADCN-VQIMIIECSA-N 2 1 349.494 3.008 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21)[NH+](CC)CC ZINC001114828832 1370101769 /nfs/dbraw/zinc/10/17/69/1370101769.db2.gz LAPIQOYFNIPEQX-WCIQWLHISA-N 2 1 347.547 3.044 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001114988920 1370194239 /nfs/dbraw/zinc/19/42/39/1370194239.db2.gz NCCDZRDCNREISL-BEEHTQLISA-N 2 1 349.563 3.146 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203794215 1370268009 /nfs/dbraw/zinc/26/80/09/1370268009.db2.gz VSHCURZVMQQLJS-JKCVZHOFSA-N 2 1 335.536 3.090 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001203903815 1370307808 /nfs/dbraw/zinc/30/78/08/1370307808.db2.gz OIUJVJVBDKIGEE-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CCCc1ccc(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC001203924539 1370315883 /nfs/dbraw/zinc/31/58/83/1370315883.db2.gz BTPYXVGGASEIKF-UHFFFAOYSA-N 2 1 345.531 3.060 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001203925514 1370317365 /nfs/dbraw/zinc/31/73/65/1370317365.db2.gz QPUIMSICPHJKPG-UHFFFAOYSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH2+]CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001203932274 1370319380 /nfs/dbraw/zinc/31/93/80/1370319380.db2.gz BBKUHDZEIJSBJN-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)s1 ZINC001204032224 1370353969 /nfs/dbraw/zinc/35/39/69/1370353969.db2.gz SNJLJBYVDDNEDT-IEBWSBKVSA-N 2 1 334.529 3.237 20 0 EGADMP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC001204047898 1370358756 /nfs/dbraw/zinc/35/87/56/1370358756.db2.gz IPIREDXGVNBETJ-UHFFFAOYSA-N 2 1 327.472 3.243 20 0 EGADMP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC001204047898 1370358767 /nfs/dbraw/zinc/35/87/67/1370358767.db2.gz IPIREDXGVNBETJ-UHFFFAOYSA-N 2 1 327.472 3.243 20 0 EGADMP c1csc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccccn4)CC3)C2)c1 ZINC001204058322 1370362929 /nfs/dbraw/zinc/36/29/29/1370362929.db2.gz IVQDQHWOMAEWHX-UHFFFAOYSA-N 2 1 343.496 3.010 20 0 EGADMP c1csc(C[N@H+]2CCOC3(CC[NH+](Cc4ccccn4)CC3)C2)c1 ZINC001204058322 1370362933 /nfs/dbraw/zinc/36/29/33/1370362933.db2.gz IVQDQHWOMAEWHX-UHFFFAOYSA-N 2 1 343.496 3.010 20 0 EGADMP Cc1c(F)cccc1CN1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001204509369 1370497454 /nfs/dbraw/zinc/49/74/54/1370497454.db2.gz YYDCEEYQIMATPT-HXUWFJFHSA-N 2 1 334.479 3.457 20 0 EGADMP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001115543450 1370540513 /nfs/dbraw/zinc/54/05/13/1370540513.db2.gz ISYWIDLNZYRMEI-PJHKVULZSA-N 2 1 335.536 3.092 20 0 EGADMP COc1cc(Cl)cc(F)c1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204743044 1370562123 /nfs/dbraw/zinc/56/21/23/1370562123.db2.gz YCWYPAUTZSMOPZ-UHFFFAOYSA-N 2 1 326.843 3.453 20 0 EGADMP COc1cc(Cl)cc(F)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204743044 1370562127 /nfs/dbraw/zinc/56/21/27/1370562127.db2.gz YCWYPAUTZSMOPZ-UHFFFAOYSA-N 2 1 326.843 3.453 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CCCCC1 ZINC001115571745 1370573833 /nfs/dbraw/zinc/57/38/33/1370573833.db2.gz MXJZYRKRKLXRMG-IBGZPJMESA-N 2 1 349.563 3.339 20 0 EGADMP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001115591718 1370592651 /nfs/dbraw/zinc/59/26/51/1370592651.db2.gz AZTRXHHIRVZYOU-RTBURBONSA-N 2 1 347.547 3.212 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCCC1 ZINC001115591727 1370592663 /nfs/dbraw/zinc/59/26/63/1370592663.db2.gz BLEWAPZCUJXMSJ-ZWKOTPCHSA-N 2 1 335.536 3.212 20 0 EGADMP [NH3+][C@H]1CCC[N@@H+](Cc2cnc3cc(Br)ccc3c2)CC1 ZINC001205131413 1370659431 /nfs/dbraw/zinc/65/94/31/1370659431.db2.gz YCQLILPWDCCLGS-HNNXBMFYSA-N 2 1 334.261 3.311 20 0 EGADMP c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC001205170940 1370669278 /nfs/dbraw/zinc/66/92/78/1370669278.db2.gz HADVWAJJJBZELH-FQEVSTJZSA-N 2 1 336.483 3.218 20 0 EGADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)c(C)c1)C2 ZINC001205181278 1370672492 /nfs/dbraw/zinc/67/24/92/1370672492.db2.gz WAAIDPQEZMOVOA-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)c(C)c1)C2 ZINC001205181278 1370672499 /nfs/dbraw/zinc/67/24/99/1370672499.db2.gz WAAIDPQEZMOVOA-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(F)c(C)c1)C2 ZINC001205181278 1370672502 /nfs/dbraw/zinc/67/25/02/1370672502.db2.gz WAAIDPQEZMOVOA-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(F)c(C)c1)C2 ZINC001205181278 1370672508 /nfs/dbraw/zinc/67/25/08/1370672508.db2.gz WAAIDPQEZMOVOA-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP CC[N@H+]1CCc2cc(-c3ccc(OCCC[NH+](C)C)nc3)ccc2C1 ZINC001205226041 1370688179 /nfs/dbraw/zinc/68/81/79/1370688179.db2.gz WHTDFZYRAGZDME-UHFFFAOYSA-N 2 1 339.483 3.457 20 0 EGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cccn2Cc2cnc(Cl)s2)CC1 ZINC001205273659 1370703113 /nfs/dbraw/zinc/70/31/13/1370703113.db2.gz NRENZASQYAYMSE-MRXNPFEDSA-N 2 1 338.908 3.350 20 0 EGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccn2Cc2cnc(Cl)s2)CC1 ZINC001205273659 1370703120 /nfs/dbraw/zinc/70/31/20/1370703120.db2.gz NRENZASQYAYMSE-MRXNPFEDSA-N 2 1 338.908 3.350 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205280546 1370704575 /nfs/dbraw/zinc/70/45/75/1370704575.db2.gz BWZHNTOEFJPUBO-OAHLLOKOSA-N 2 1 332.366 3.297 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205280546 1370704580 /nfs/dbraw/zinc/70/45/80/1370704580.db2.gz BWZHNTOEFJPUBO-OAHLLOKOSA-N 2 1 332.366 3.297 20 0 EGADMP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205285288 1370706341 /nfs/dbraw/zinc/70/63/41/1370706341.db2.gz VORNEXMAGJEGQV-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CC3=CCCCC3)CCCCC2)C1 ZINC001115729532 1370711225 /nfs/dbraw/zinc/71/12/25/1370711225.db2.gz JTTKPOYNACRPGR-GOSISDBHSA-N 2 1 347.547 3.237 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC001205304304 1370713636 /nfs/dbraw/zinc/71/36/36/1370713636.db2.gz NPKILMIRNHIARH-LPHOPBHVSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC001205304304 1370713643 /nfs/dbraw/zinc/71/36/43/1370713643.db2.gz NPKILMIRNHIARH-LPHOPBHVSA-N 2 1 325.456 3.077 20 0 EGADMP COc1ccc2c(OC)ccc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)c2c1 ZINC001205318295 1370720037 /nfs/dbraw/zinc/72/00/37/1370720037.db2.gz TYRNULWBRADDEG-ZBFHGGJFSA-N 2 1 328.456 3.274 20 0 EGADMP c1ccc([C@@H]2CC[N@H+](Cc3cccc(CN4CC[NH2+]CC4)c3)C2)cc1 ZINC001205339409 1370725854 /nfs/dbraw/zinc/72/58/54/1370725854.db2.gz INKJBFIWECLAND-JOCHJYFZSA-N 2 1 335.495 3.081 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCCCC1 ZINC001115754064 1370735469 /nfs/dbraw/zinc/73/54/69/1370735469.db2.gz OFWKNPAOVJNJMH-UHFFFAOYSA-N 2 1 334.508 3.215 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC001187306748 1388092057 /nfs/dbraw/zinc/09/20/57/1388092057.db2.gz NXRYAFIHUSSNQP-MOPGFXCFSA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@H](C)C[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2C)CCCCC1 ZINC001115773224 1370756294 /nfs/dbraw/zinc/75/62/94/1370756294.db2.gz SJVXIQNQDXTALO-KRWDZBQOSA-N 2 1 348.535 3.427 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205460933 1370762359 /nfs/dbraw/zinc/76/23/59/1370762359.db2.gz ATXUFHLBZDUEPD-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1)C1CCC1 ZINC001205469461 1370764826 /nfs/dbraw/zinc/76/48/26/1370764826.db2.gz GKCXAVVEKZZNAM-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CCn1cc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)cn1 ZINC001205514106 1370777311 /nfs/dbraw/zinc/77/73/11/1370777311.db2.gz UWQCRURBQKRVAS-UHFFFAOYSA-N 2 1 335.455 3.082 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001205549627 1370788129 /nfs/dbraw/zinc/78/81/29/1370788129.db2.gz XSDMSNNJPIAXQO-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1Br ZINC001205558280 1370791371 /nfs/dbraw/zinc/79/13/71/1370791371.db2.gz DGUNNJDYEFKFHO-HNNXBMFYSA-N 2 1 345.256 3.111 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1 ZINC001205562547 1370792206 /nfs/dbraw/zinc/79/22/06/1370792206.db2.gz WVTPQJGFPQGMRW-UHFFFAOYSA-N 2 1 339.568 3.371 20 0 EGADMP CCSc1ncc2cccc(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)n21 ZINC001205591771 1370803709 /nfs/dbraw/zinc/80/37/09/1370803709.db2.gz PCBJBWHKNUXOPJ-QGZVFWFLSA-N 2 1 336.480 3.099 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2F)CC[C@@H]1C[NH3+] ZINC001205601011 1370806468 /nfs/dbraw/zinc/80/64/68/1370806468.db2.gz CUAKVJZAKXOUEW-VXGBXAGGSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@@H]1CC[N@@H+](CCc2ccc(Br)cc2)CC[C@@H]1C[NH3+] ZINC001205603547 1370807923 /nfs/dbraw/zinc/80/79/23/1370807923.db2.gz QAYUEHFXLQLELU-UKRRQHHQSA-N 2 1 325.294 3.298 20 0 EGADMP COc1c(Br)cccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205629455 1370817253 /nfs/dbraw/zinc/81/72/53/1370817253.db2.gz YXUMXPSYMRRLFV-CHWSQXEVSA-N 2 1 341.293 3.265 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2sccc2Oc2ccccc2)C1 ZINC001205680793 1370841384 /nfs/dbraw/zinc/84/13/84/1370841384.db2.gz ASELFYUBUUCDFV-SFHVURJKSA-N 2 1 332.469 3.216 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2sccc2Oc2ccccc2)C1 ZINC001205680793 1370841390 /nfs/dbraw/zinc/84/13/90/1370841390.db2.gz ASELFYUBUUCDFV-SFHVURJKSA-N 2 1 332.469 3.216 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205902117 1370904859 /nfs/dbraw/zinc/90/48/59/1370904859.db2.gz IDACFCJHSPMMJF-VQIMIIECSA-N 2 1 326.488 3.107 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1c[nH]c2ccc(Br)cc12 ZINC001205902592 1370905470 /nfs/dbraw/zinc/90/54/70/1370905470.db2.gz KTUBZAJJGXFTRE-RYUDHWBXSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2ccc(Br)cc12 ZINC001205902592 1370905473 /nfs/dbraw/zinc/90/54/73/1370905473.db2.gz KTUBZAJJGXFTRE-RYUDHWBXSA-N 2 1 336.277 3.490 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205916274 1370909409 /nfs/dbraw/zinc/90/94/09/1370909409.db2.gz UJHTZKUMFNSABK-NEPJUHHUSA-N 2 1 332.366 3.153 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205916274 1370909413 /nfs/dbraw/zinc/90/94/13/1370909413.db2.gz UJHTZKUMFNSABK-NEPJUHHUSA-N 2 1 332.366 3.153 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(OCc2ccccc2)ccn1 ZINC001205916896 1370910615 /nfs/dbraw/zinc/91/06/15/1370910615.db2.gz WESXPWDVWOSLRH-WMZOPIPTSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(OCc2ccccc2)ccn1 ZINC001205916896 1370910618 /nfs/dbraw/zinc/91/06/18/1370910618.db2.gz WESXPWDVWOSLRH-WMZOPIPTSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCCN2Cc2ccccc2)CCC[C@H]1C[NH3+] ZINC001205983809 1370928838 /nfs/dbraw/zinc/92/88/38/1370928838.db2.gz PIOTUPKZFYUNBE-GIVPXCGWSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(OC3CCOCC3)cc2)CCC[C@H]1C[NH3+] ZINC001206003433 1370935384 /nfs/dbraw/zinc/93/53/84/1370935384.db2.gz HTTLIOLWUJCTQF-WMZOPIPTSA-N 2 1 332.488 3.051 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(OC)cc1Cl ZINC001206013551 1370937907 /nfs/dbraw/zinc/93/79/07/1370937907.db2.gz SBPNWOGFEUZNSX-QWHCGFSZSA-N 2 1 326.868 3.164 20 0 EGADMP CC(C)Oc1ncc(Cl)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206012092 1370938018 /nfs/dbraw/zinc/93/80/18/1370938018.db2.gz ITRDKSSIVLYWQN-ZIAGYGMSSA-N 2 1 325.884 3.329 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)nc2)CCC[C@H]1C[NH3+] ZINC001206011370 1370938141 /nfs/dbraw/zinc/93/81/41/1370938141.db2.gz BXIOYJWQOZTMJI-XLIONFOSSA-N 2 1 339.483 3.467 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206012823 1370938314 /nfs/dbraw/zinc/93/83/14/1370938314.db2.gz ODGLXNSLSJKGAX-HUUCEWRRSA-N 2 1 332.879 3.333 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c(Br)ccc(O)c2F)CCC[C@H]1C[NH3+] ZINC001206025679 1370941787 /nfs/dbraw/zinc/94/17/87/1370941787.db2.gz OXYJJAMLSPKWRO-QWRGUYRKSA-N 2 1 345.256 3.101 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH2+]CCC3CCCC3)CC2)CC[N@H+]1C ZINC001206031503 1370944249 /nfs/dbraw/zinc/94/42/49/1370944249.db2.gz SVUNPIKHDFFINM-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cncc(Br)c2)CC1 ZINC001206119331 1370964318 /nfs/dbraw/zinc/96/43/18/1370964318.db2.gz JVLRJTCLTWBCEX-UHFFFAOYSA-N 2 1 340.309 3.396 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](Cc2cc3cc(Br)ccc3[nH]2)CC[C@H]1F ZINC001206174434 1370980094 /nfs/dbraw/zinc/98/00/94/1370980094.db2.gz MXJJLFHQMUJZNR-ZIAGYGMSSA-N 2 1 340.240 3.192 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cc3cc(Br)ccc3[nH]2)CC[C@H]1F ZINC001206174434 1370980095 /nfs/dbraw/zinc/98/00/95/1370980095.db2.gz MXJJLFHQMUJZNR-ZIAGYGMSSA-N 2 1 340.240 3.192 20 0 EGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)CC[C@@H]1F ZINC001206196624 1370990195 /nfs/dbraw/zinc/99/01/95/1370990195.db2.gz CIYLOGUZLMWHMC-RDJZCZTQSA-N 2 1 335.373 3.288 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)CC[C@@H]1F ZINC001206196624 1370990200 /nfs/dbraw/zinc/99/02/00/1370990200.db2.gz CIYLOGUZLMWHMC-RDJZCZTQSA-N 2 1 335.373 3.288 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc2c1NC(C)(C)C=C2 ZINC001206211659 1370994214 /nfs/dbraw/zinc/99/42/14/1370994214.db2.gz OLAWQLMSNIGDKR-HZPDHXFCSA-N 2 1 333.451 3.174 20 0 EGADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC001116894856 1370996621 /nfs/dbraw/zinc/99/66/21/1370996621.db2.gz SHRJVVXEAZGZIN-UHFFFAOYSA-N 2 1 330.472 3.217 20 0 EGADMP Cc1cc(N2CCN(Cc3cccc(C[NH3+])c3)CC2)c2ccccc2[nH+]1 ZINC001206285912 1371013495 /nfs/dbraw/zinc/01/34/95/1371013495.db2.gz PIUBZLWGPDKWSU-UHFFFAOYSA-N 2 1 346.478 3.324 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](CCc2cccc(Br)c2)CC1 ZINC001206296007 1371014023 /nfs/dbraw/zinc/01/40/23/1371014023.db2.gz OLIXHIDZBVJRTC-INIZCTEOSA-N 2 1 325.294 3.443 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC001326076502 1388109448 /nfs/dbraw/zinc/10/94/48/1388109448.db2.gz ZWVYSOQJATXYSS-HNNXBMFYSA-N 2 1 334.533 3.206 20 0 EGADMP COCCCOc1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1 ZINC001206589959 1371102373 /nfs/dbraw/zinc/10/23/73/1371102373.db2.gz JMCJUIJHELLPLZ-IBGZPJMESA-N 2 1 334.504 3.454 20 0 EGADMP COC(=O)/C=C/c1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC001206597368 1371104464 /nfs/dbraw/zinc/10/44/64/1371104464.db2.gz BGVJMQODUAXDAS-GNISGLHKSA-N 2 1 330.472 3.225 20 0 EGADMP COC(=O)c1c(Cl)cccc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206606300 1371107665 /nfs/dbraw/zinc/10/76/65/1371107665.db2.gz KAILPUNQLLJFMU-OAHLLOKOSA-N 2 1 338.879 3.479 20 0 EGADMP COC(=O)c1c(Cl)cccc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206606300 1371107667 /nfs/dbraw/zinc/10/76/67/1371107667.db2.gz KAILPUNQLLJFMU-OAHLLOKOSA-N 2 1 338.879 3.479 20 0 EGADMP COc1ccc2nc(Cl)c(C[N@@H+]3CCCC[C@@H](C[NH3+])C3)cc2c1 ZINC001206624297 1371111533 /nfs/dbraw/zinc/11/15/33/1371111533.db2.gz SWSCKMUSIWPPQD-ZDUSSCGKSA-N 2 1 333.863 3.458 20 0 EGADMP COc1ccc2nc(Cl)c(C[N@H+]3CCCC[C@@H](C[NH3+])C3)cc2c1 ZINC001206624297 1371111536 /nfs/dbraw/zinc/11/15/36/1371111536.db2.gz SWSCKMUSIWPPQD-ZDUSSCGKSA-N 2 1 333.863 3.458 20 0 EGADMP Cc1ccccc1-c1noc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)n1 ZINC001118198367 1371145144 /nfs/dbraw/zinc/14/51/44/1371145144.db2.gz LVRMZQQXKPUNQP-UHFFFAOYSA-N 2 1 326.444 3.011 20 0 EGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc2cc(Br)ccc2[nH]1 ZINC001206768739 1371158908 /nfs/dbraw/zinc/15/89/08/1371158908.db2.gz LWJXNMQNOJQNMQ-NWDGAFQWSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1c[nH]c2c1cccc2Br ZINC001206771322 1371159861 /nfs/dbraw/zinc/15/98/61/1371159861.db2.gz VZDBCHJITYAMRM-NEPJUHHUSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]c2c1cccc2Br ZINC001206771322 1371159865 /nfs/dbraw/zinc/15/98/65/1371159865.db2.gz VZDBCHJITYAMRM-NEPJUHHUSA-N 2 1 336.277 3.490 20 0 EGADMP Cc1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)n1C ZINC001206791828 1371167915 /nfs/dbraw/zinc/16/79/15/1371167915.db2.gz BKPLLYGDMVJSOD-UHFFFAOYSA-N 2 1 344.528 3.278 20 0 EGADMP COc1ccc2c(OC)ccc(C[N@H+]3C[C@H](C[NH3+])CC[C@H]3C)c2c1 ZINC001206808835 1371175406 /nfs/dbraw/zinc/17/54/06/1371175406.db2.gz KRGTXLKTQCWIOK-CABCVRRESA-N 2 1 328.456 3.416 20 0 EGADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1OC(F)(F)F ZINC001206810815 1371177121 /nfs/dbraw/zinc/17/71/21/1371177121.db2.gz PSTWDNDPGAHGIK-WCQYABFASA-N 2 1 332.366 3.153 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CC(C)C)CC1 ZINC001206858177 1371191854 /nfs/dbraw/zinc/19/18/54/1371191854.db2.gz WHBTZZIAEMUZPE-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206974631 1371254519 /nfs/dbraw/zinc/25/45/19/1371254519.db2.gz KSXWNUWFHLOZOA-IKSUFZCESA-N 2 1 335.536 3.044 20 0 EGADMP O=c1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)[nH]1 ZINC001207070711 1371285293 /nfs/dbraw/zinc/28/52/93/1371285293.db2.gz DEDXMMOXPRQJDU-UHFFFAOYSA-N 2 1 337.467 3.275 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cc[nH]c(=O)c1)CC2 ZINC001207119507 1371299466 /nfs/dbraw/zinc/29/94/66/1371299466.db2.gz DNHHARZKXCXFKI-SFHVURJKSA-N 2 1 341.455 3.257 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001207187293 1371324457 /nfs/dbraw/zinc/32/44/57/1371324457.db2.gz PJDOYKYOOSCIDJ-BTHPGYMESA-N 2 1 347.934 3.154 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001207187294 1371324596 /nfs/dbraw/zinc/32/45/96/1371324596.db2.gz PJDOYKYOOSCIDJ-FRYIKTPZSA-N 2 1 347.934 3.154 20 0 EGADMP c1csc(C[NH+]2C[C@@H]3C[NH+](CCOCc4ccccc4)C[C@H]3C2)c1 ZINC001207231882 1371336750 /nfs/dbraw/zinc/33/67/50/1371336750.db2.gz VARIQQWLOFARAJ-OALUTQOASA-N 2 1 342.508 3.329 20 0 EGADMP C[C@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207274757 1371347458 /nfs/dbraw/zinc/34/74/58/1371347458.db2.gz GCZDDAXLVJFMJD-HOTGVXAUSA-N 2 1 341.540 3.199 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001207278872 1371348821 /nfs/dbraw/zinc/34/88/21/1371348821.db2.gz FLFABJSFJBWUQY-LJQANCHMSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001207278872 1371348826 /nfs/dbraw/zinc/34/88/26/1371348826.db2.gz FLFABJSFJBWUQY-LJQANCHMSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207282006 1371349953 /nfs/dbraw/zinc/34/99/53/1371349953.db2.gz BUOIYFAUMQREMV-MRXNPFEDSA-N 2 1 341.540 3.153 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001207283596 1371350284 /nfs/dbraw/zinc/35/02/84/1371350284.db2.gz AUVKKVPGPFVXJV-RTWAWAEBSA-N 3 1 343.559 3.418 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001207283596 1371350291 /nfs/dbraw/zinc/35/02/91/1371350291.db2.gz AUVKKVPGPFVXJV-RTWAWAEBSA-N 3 1 343.559 3.418 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001207283596 1371350294 /nfs/dbraw/zinc/35/02/94/1371350294.db2.gz AUVKKVPGPFVXJV-RTWAWAEBSA-N 3 1 343.559 3.418 20 0 EGADMP CN(C)CC(C)(C)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001207283596 1371350300 /nfs/dbraw/zinc/35/03/00/1371350300.db2.gz AUVKKVPGPFVXJV-RTWAWAEBSA-N 2 1 343.559 3.418 20 0 EGADMP CN(C)CC(C)(C)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001207283596 1371350303 /nfs/dbraw/zinc/35/03/03/1371350303.db2.gz AUVKKVPGPFVXJV-RTWAWAEBSA-N 2 1 343.559 3.418 20 0 EGADMP CN(C)CC(C)(C)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001207283596 1371350308 /nfs/dbraw/zinc/35/03/08/1371350308.db2.gz AUVKKVPGPFVXJV-RTWAWAEBSA-N 2 1 343.559 3.418 20 0 EGADMP CN(C)CC(C)(C)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001207283596 1371350311 /nfs/dbraw/zinc/35/03/11/1371350311.db2.gz AUVKKVPGPFVXJV-RTWAWAEBSA-N 2 1 343.559 3.418 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC001207291898 1371352340 /nfs/dbraw/zinc/35/23/40/1371352340.db2.gz FUZLHWKROLLNRI-UHFFFAOYSA-N 3 1 341.543 3.316 20 0 EGADMP O=C1CCC[C@H]2C[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@@H]12 ZINC001207293938 1371354610 /nfs/dbraw/zinc/35/46/10/1371354610.db2.gz CXZZRLSSVOPQEB-VQTJNVASSA-N 2 1 326.484 3.200 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001207317744 1371359208 /nfs/dbraw/zinc/35/92/08/1371359208.db2.gz HCRGXRFCOYDMBU-MRXNPFEDSA-N 2 1 327.513 3.050 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCc3ccc(Br)cc3)C2)C1 ZINC001207323431 1371361004 /nfs/dbraw/zinc/36/10/04/1371361004.db2.gz SMDJXSILNQWYOO-QGZVFWFLSA-N 2 1 337.305 3.409 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCc3ccc(Br)cc3)C2)C1 ZINC001207323431 1371361007 /nfs/dbraw/zinc/36/10/07/1371361007.db2.gz SMDJXSILNQWYOO-QGZVFWFLSA-N 2 1 337.305 3.409 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCc3ccc(Br)cc3)C2)C1 ZINC001207323431 1371361010 /nfs/dbraw/zinc/36/10/10/1371361010.db2.gz SMDJXSILNQWYOO-QGZVFWFLSA-N 2 1 337.305 3.409 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+](CCCc3ccc(Br)cc3)C2)C1 ZINC001207323429 1371361389 /nfs/dbraw/zinc/36/13/89/1371361389.db2.gz SMDJXSILNQWYOO-KRWDZBQOSA-N 2 1 337.305 3.409 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](CCCc3ccc(Br)cc3)C2)C1 ZINC001207323429 1371361394 /nfs/dbraw/zinc/36/13/94/1371361394.db2.gz SMDJXSILNQWYOO-KRWDZBQOSA-N 2 1 337.305 3.409 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCc3ccc(Br)cc3)C2)C1 ZINC001207323429 1371361396 /nfs/dbraw/zinc/36/13/96/1371361396.db2.gz SMDJXSILNQWYOO-KRWDZBQOSA-N 2 1 337.305 3.409 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CC[C@@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001207399859 1371384722 /nfs/dbraw/zinc/38/47/22/1371384722.db2.gz XCPPLYSHYGMPCP-NRFANRHFSA-N 2 1 327.516 3.069 20 0 EGADMP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](C[C@H]1CCCOC1)CC2 ZINC001207465728 1371403106 /nfs/dbraw/zinc/40/31/06/1371403106.db2.gz ZHVVFRDXRTWZAU-GOSISDBHSA-N 2 1 347.503 3.148 20 0 EGADMP CCOC(=O)C[N@H+](CCC1CC[NH+](C)CC1)[C@H](C)c1ccccc1 ZINC001207487764 1371410567 /nfs/dbraw/zinc/41/05/67/1371410567.db2.gz QWILGGFYULIJEI-QGZVFWFLSA-N 2 1 332.488 3.345 20 0 EGADMP CCOC(=O)C[N@@H+](CCC1CC[NH+](C)CC1)[C@H](C)c1ccccc1 ZINC001207487764 1371410568 /nfs/dbraw/zinc/41/05/68/1371410568.db2.gz QWILGGFYULIJEI-QGZVFWFLSA-N 2 1 332.488 3.345 20 0 EGADMP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207485662 1371410674 /nfs/dbraw/zinc/41/06/74/1371410674.db2.gz ZVYBTFSDGAUJSE-KRWDZBQOSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)C[C@H]2C1 ZINC001119990947 1371445023 /nfs/dbraw/zinc/44/50/23/1371445023.db2.gz ZZNUZMJLCRXHHL-JFIYKMOQSA-N 2 1 325.456 3.103 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC001120207749 1371504611 /nfs/dbraw/zinc/50/46/11/1371504611.db2.gz DGLWMUZZZPYWSM-OQRGYWNNSA-N 2 1 341.927 3.022 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@H]1COC(C)(C)O1)CC2 ZINC001207923459 1371539820 /nfs/dbraw/zinc/53/98/20/1371539820.db2.gz QTPMLIFRVVSBOQ-ZWKOTPCHSA-N 2 1 348.487 3.108 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001120414096 1371566089 /nfs/dbraw/zinc/56/60/89/1371566089.db2.gz SGZAQTBHCZZNFY-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208015056 1371569018 /nfs/dbraw/zinc/56/90/18/1371569018.db2.gz XBARVMGCEFTKAP-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CCC(C)C)C1 ZINC001120439852 1371577564 /nfs/dbraw/zinc/57/75/64/1371577564.db2.gz JFOIDYMXWWPQBK-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CCC(C)C)C1 ZINC001120439852 1371577570 /nfs/dbraw/zinc/57/75/70/1371577570.db2.gz JFOIDYMXWWPQBK-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CCC(C)C)C1 ZINC001120439852 1371577574 /nfs/dbraw/zinc/57/75/74/1371577574.db2.gz JFOIDYMXWWPQBK-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120459995 1371584671 /nfs/dbraw/zinc/58/46/71/1371584671.db2.gz OMUKOEDPZPBNBZ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@@H]([NH2+]CC(CC)CC)C1 ZINC001208073181 1371587441 /nfs/dbraw/zinc/58/74/41/1371587441.db2.gz DUHCYRLLBRODDA-SJLPKXTDSA-N 2 1 348.535 3.413 20 0 EGADMP C[N@@H+](CCc1cccc(C(F)(F)F)n1)CC1(C)CC[NH+](C)CC1 ZINC001208106225 1371597234 /nfs/dbraw/zinc/59/72/34/1371597234.db2.gz CWYMCQIOLQLRKA-UHFFFAOYSA-N 2 1 329.410 3.307 20 0 EGADMP Cc1ccc(CN2C[C@@H]3C[NH+](CC4(C)CC[NH+](C)CC4)C[C@H]3C2)cc1 ZINC001208110888 1371597574 /nfs/dbraw/zinc/59/75/74/1371597574.db2.gz XBINHCJVMSTZFA-NHCUHLMSSA-N 2 1 341.543 3.091 20 0 EGADMP C[N@@H+](CC1(C)CC[NH+](C)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001208112833 1371598545 /nfs/dbraw/zinc/59/85/45/1371598545.db2.gz ZNCWMVRCMVCFOW-HXUWFJFHSA-N 2 1 329.532 3.315 20 0 EGADMP CS[C@H](C)CC[N@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001208145341 1371609140 /nfs/dbraw/zinc/60/91/40/1371609140.db2.gz UWEBQKZPTKBRNT-QLFBSQMISA-N 2 1 325.547 3.181 20 0 EGADMP C[NH+](C)CC1(C[N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)CCCC1 ZINC001208182035 1371624632 /nfs/dbraw/zinc/62/46/32/1371624632.db2.gz LDFGANADLDXCOZ-OAHLLOKOSA-N 2 1 326.481 3.134 20 0 EGADMP C[NH+](C)CC1(C[N@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)CCCC1 ZINC001208182035 1371624635 /nfs/dbraw/zinc/62/46/35/1371624635.db2.gz LDFGANADLDXCOZ-OAHLLOKOSA-N 2 1 326.481 3.134 20 0 EGADMP C[NH+](C)CC1(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)CCCC1 ZINC001208185735 1371627435 /nfs/dbraw/zinc/62/74/35/1371627435.db2.gz PDUKDTXXFHKGAO-UHFFFAOYSA-N 2 1 333.564 3.449 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208236653 1371673826 /nfs/dbraw/zinc/67/38/26/1371673826.db2.gz YYQDRLCRKHERFQ-KRWDZBQOSA-N 2 1 341.540 3.297 20 0 EGADMP CC(C)(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208330887 1371720295 /nfs/dbraw/zinc/72/02/95/1371720295.db2.gz HLCVGLGHDZIGPU-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208617896 1371843388 /nfs/dbraw/zinc/84/33/88/1371843388.db2.gz QLLDOXMPVLXPRW-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP CC[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208617896 1371843393 /nfs/dbraw/zinc/84/33/93/1371843393.db2.gz QLLDOXMPVLXPRW-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208617896 1371843401 /nfs/dbraw/zinc/84/34/01/1371843401.db2.gz QLLDOXMPVLXPRW-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208617896 1371843405 /nfs/dbraw/zinc/84/34/05/1371843405.db2.gz QLLDOXMPVLXPRW-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP C[N@H+]1CCC[C@@H](CN2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619082 1371844663 /nfs/dbraw/zinc/84/46/63/1371844663.db2.gz VDIBZKDGPQZATG-FGZHOGPDSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC[C@@H](CN2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208619082 1371844668 /nfs/dbraw/zinc/84/46/68/1371844668.db2.gz VDIBZKDGPQZATG-FGZHOGPDSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC[C@@H](CN2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208619082 1371844671 /nfs/dbraw/zinc/84/46/71/1371844671.db2.gz VDIBZKDGPQZATG-FGZHOGPDSA-N 2 1 341.543 3.316 20 0 EGADMP CNC(=O)C[N@H+]1CCCC12CC[NH+](CC[C@H](C)CC(C)(C)C)CC2 ZINC001208654551 1371853193 /nfs/dbraw/zinc/85/31/93/1371853193.db2.gz LUTGQNXNJOWHKU-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121103520 1371854817 /nfs/dbraw/zinc/85/48/17/1371854817.db2.gz XCQRDXNYGUNFNT-MBEFBZSESA-N 2 1 349.563 3.312 20 0 EGADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](CCC3CCCC3)CC[C@@H]21 ZINC001208693315 1371863733 /nfs/dbraw/zinc/86/37/33/1371863733.db2.gz IUCGMIBDNAHYSA-AABGKKOBSA-N 2 1 345.535 3.032 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CCC3CCCC3)CC[C@@H]21 ZINC001208693315 1371863735 /nfs/dbraw/zinc/86/37/35/1371863735.db2.gz IUCGMIBDNAHYSA-AABGKKOBSA-N 2 1 345.535 3.032 20 0 EGADMP Clc1ccc(CC[N@H+]2CCc3onc(Cn4ccnc4)c3C2)cc1 ZINC001208740856 1371880329 /nfs/dbraw/zinc/88/03/29/1371880329.db2.gz YKOXBXSGQDPRDO-UHFFFAOYSA-N 2 1 342.830 3.174 20 0 EGADMP Clc1ccc(CCN2CCc3onc(Cn4ccnc4)c3C2)cc1 ZINC001208740856 1371880331 /nfs/dbraw/zinc/88/03/31/1371880331.db2.gz YKOXBXSGQDPRDO-UHFFFAOYSA-N 2 1 342.830 3.174 20 0 EGADMP COC(=O)CC[N@H+](CCCc1ccccc1Cl)CCC[NH+](C)C ZINC001208872173 1371928048 /nfs/dbraw/zinc/92/80/48/1371928048.db2.gz WKMFXZRVTIAAEW-UHFFFAOYSA-N 2 1 340.895 3.089 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001209206089 1372037738 /nfs/dbraw/zinc/03/77/38/1372037738.db2.gz XDYQDSQLWQTBOH-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C[C@@H](C)O1 ZINC001209380592 1372083396 /nfs/dbraw/zinc/08/33/96/1372083396.db2.gz MDYOXSVQRAFGHK-JOCBIADPSA-N 2 1 334.529 3.315 20 0 EGADMP C[C@H]1C[C@H]1C[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001209417831 1372100591 /nfs/dbraw/zinc/10/05/91/1372100591.db2.gz XGBSVAAUGOUYAK-HOTGVXAUSA-N 2 1 325.456 3.321 20 0 EGADMP C[C@H]1C[C@H]1C[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001209417831 1372100593 /nfs/dbraw/zinc/10/05/93/1372100593.db2.gz XGBSVAAUGOUYAK-HOTGVXAUSA-N 2 1 325.456 3.321 20 0 EGADMP C[C@H]1C[C@H]1C[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001209417831 1372100596 /nfs/dbraw/zinc/10/05/96/1372100596.db2.gz XGBSVAAUGOUYAK-HOTGVXAUSA-N 2 1 325.456 3.321 20 0 EGADMP C[C@H]1C[C@H]1C[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001209417831 1372100599 /nfs/dbraw/zinc/10/05/99/1372100599.db2.gz XGBSVAAUGOUYAK-HOTGVXAUSA-N 2 1 325.456 3.321 20 0 EGADMP C[N@H+](CCC[NH+]1CCCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001209450573 1372108795 /nfs/dbraw/zinc/10/87/95/1372108795.db2.gz SLBCMVKQLQSEOH-KRWDZBQOSA-N 2 1 339.524 3.194 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001209450573 1372108798 /nfs/dbraw/zinc/10/87/98/1372108798.db2.gz SLBCMVKQLQSEOH-KRWDZBQOSA-N 2 1 339.524 3.194 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3CN(CCC[NH+]4CCCCC4)CC[C@@H]3C2)cc1 ZINC001209452148 1372109094 /nfs/dbraw/zinc/10/90/94/1372109094.db2.gz FNGXEFNPDIHXQV-FGZHOGPDSA-N 2 1 341.543 3.316 20 0 EGADMP C[N@H+](CCC[NH+]1CCCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001209450576 1372109294 /nfs/dbraw/zinc/10/92/94/1372109294.db2.gz SLBCMVKQLQSEOH-QGZVFWFLSA-N 2 1 339.524 3.194 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001209450576 1372109299 /nfs/dbraw/zinc/10/92/99/1372109299.db2.gz SLBCMVKQLQSEOH-QGZVFWFLSA-N 2 1 339.524 3.194 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C)C(C)C ZINC001209586237 1372143874 /nfs/dbraw/zinc/14/38/74/1372143874.db2.gz ZBZOKOURZGVCJM-RLLQIKCJSA-N 2 1 349.563 3.290 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]CC2CCCCC2)C1)CC(C)(C)C ZINC001209689691 1372170109 /nfs/dbraw/zinc/17/01/09/1372170109.db2.gz MTQQQNQIRHZEGG-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]CC2CCCCC2)C1)CC(C)(C)C ZINC001209689692 1372170919 /nfs/dbraw/zinc/17/09/19/1372170919.db2.gz MTQQQNQIRHZEGG-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001122101378 1372174303 /nfs/dbraw/zinc/17/43/03/1372174303.db2.gz MGBHBHKUHCLUHL-UHFFFAOYSA-N 2 1 337.552 3.172 20 0 EGADMP O=C(Nc1cccc2c1C[NH2+]C2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001122137402 1372184734 /nfs/dbraw/zinc/18/47/34/1372184734.db2.gz PEHHBTUDWIIAOU-SFHVURJKSA-N 2 1 335.451 3.141 20 0 EGADMP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001122242951 1372210403 /nfs/dbraw/zinc/21/04/03/1372210403.db2.gz RLQGDZFVXDGZEN-MBEFBZSESA-N 2 1 349.563 3.314 20 0 EGADMP CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001122249744 1372211575 /nfs/dbraw/zinc/21/15/75/1372211575.db2.gz VRKHPKJGHSMUES-MBEFBZSESA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209954856 1372240434 /nfs/dbraw/zinc/24/04/34/1372240434.db2.gz ZYHVSMIZGTUENN-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(=O)N1CCN(c2cc[nH+]cc2Nc2ccc3c[nH+]ccc3c2)CC1 ZINC001210046903 1372262068 /nfs/dbraw/zinc/26/20/68/1372262068.db2.gz YOWQBNDIYLSMCQ-UHFFFAOYSA-N 2 1 347.422 3.042 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]C[C@@H](C)CC)C1 ZINC001210181060 1372289730 /nfs/dbraw/zinc/28/97/30/1372289730.db2.gz AYOUGIQJRPFJMJ-ROUUACIJSA-N 2 1 325.541 3.125 20 0 EGADMP Cc1cccc2sc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)nc21 ZINC001210261909 1372308232 /nfs/dbraw/zinc/30/82/32/1372308232.db2.gz JQCKAYRSAMOESK-UHFFFAOYSA-N 2 1 325.441 3.153 20 0 EGADMP Fc1cccc(-c2ccnc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)c2)c1 ZINC001210262147 1372308340 /nfs/dbraw/zinc/30/83/40/1372308340.db2.gz UICSTODIBJMJSK-UHFFFAOYSA-N 2 1 349.413 3.436 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC2CCC3(CC3)CC2)C[C@H]1C ZINC001210497332 1372367377 /nfs/dbraw/zinc/36/73/77/1372367377.db2.gz DEZKQFGOMOQTOZ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@H]1C ZINC001210497332 1372367381 /nfs/dbraw/zinc/36/73/81/1372367381.db2.gz DEZKQFGOMOQTOZ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1C ZINC001210497332 1372367384 /nfs/dbraw/zinc/36/73/84/1372367384.db2.gz DEZKQFGOMOQTOZ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2CCC2)C1)c1ccccc1 ZINC001210642032 1372397998 /nfs/dbraw/zinc/39/79/98/1372397998.db2.gz ADIAVHZTOYLKHB-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CC(=O)c1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)cc1 ZINC001212144786 1372663859 /nfs/dbraw/zinc/66/38/59/1372663859.db2.gz CQOLJIBKSGGGFH-INIZCTEOSA-N 2 1 330.432 3.107 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(OC3CC3)cc2)no1 ZINC001212144912 1372664116 /nfs/dbraw/zinc/66/41/16/1372664116.db2.gz GWJLUFMRUANKPI-KRWDZBQOSA-N 2 1 344.459 3.446 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001326507771 1388223474 /nfs/dbraw/zinc/22/34/74/1388223474.db2.gz JTQAPWIYMUHVEM-NCXUSEDFSA-N 2 1 337.552 3.027 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214890269 1373136804 /nfs/dbraw/zinc/13/68/04/1373136804.db2.gz UVRZGWVDJIYTCT-YSNLUETFSA-N 2 1 335.536 3.044 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1)c1ccccc1 ZINC001188150762 1388251057 /nfs/dbraw/zinc/25/10/57/1388251057.db2.gz IMESJPWFHQUYQU-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP CNc1cc(Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc[nH+]1 ZINC001216334547 1373301325 /nfs/dbraw/zinc/30/13/25/1373301325.db2.gz GSWLAHMDSKQEEU-UHFFFAOYSA-N 2 1 331.851 3.272 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129416490 1373381700 /nfs/dbraw/zinc/38/17/00/1373381700.db2.gz IGPAOXJIXNLBSP-QZTJIDSGSA-N 2 1 331.504 3.025 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001129422108 1373382569 /nfs/dbraw/zinc/38/25/69/1373382569.db2.gz FROBOQWPYHUXCX-MJGOQNOKSA-N 2 1 331.504 3.025 20 0 EGADMP O=C(NCC[NH2+]CC1CCCCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129429693 1373383313 /nfs/dbraw/zinc/38/33/13/1373383313.db2.gz JZJMNDXKSGBJLW-LJQANCHMSA-N 2 1 335.536 3.070 20 0 EGADMP c1ccc(C[N@@H+]2CCc3ccc(OC4CC5(C4)CC[NH2+]C5)nc3C2)cc1 ZINC001218060129 1373550010 /nfs/dbraw/zinc/55/00/10/1373550010.db2.gz GBWDDVYRNDKEDZ-UHFFFAOYSA-N 2 1 349.478 3.161 20 0 EGADMP c1ccc(C[N@H+]2CCc3ccc(OC4CC5(C4)CC[NH2+]C5)nc3C2)cc1 ZINC001218060129 1373550014 /nfs/dbraw/zinc/55/00/14/1373550014.db2.gz GBWDDVYRNDKEDZ-UHFFFAOYSA-N 2 1 349.478 3.161 20 0 EGADMP c1ccc(C[N@@H+]2CCc3nc(O[C@@H]4C[C@H]5CC[NH2+][C@H]5C4)ccc3C2)cc1 ZINC001218245390 1373582302 /nfs/dbraw/zinc/58/23/02/1373582302.db2.gz FMBRQZPCHKYWCQ-QFUCXCTJSA-N 2 1 349.478 3.159 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(O[C@@H]4C[C@H]5CC[NH2+][C@H]5C4)ccc3C2)cc1 ZINC001218245390 1373582306 /nfs/dbraw/zinc/58/23/06/1373582306.db2.gz FMBRQZPCHKYWCQ-QFUCXCTJSA-N 2 1 349.478 3.159 20 0 EGADMP c1ccc(C[N@@H+]2CCc3ccc(O[C@@H]4C[C@@H]5CC[NH2+][C@H]5C4)nc3C2)cc1 ZINC001218252678 1373583911 /nfs/dbraw/zinc/58/39/11/1373583911.db2.gz UOGLBDKSYIUEIM-ZCNNSNEGSA-N 2 1 349.478 3.159 20 0 EGADMP c1ccc(C[N@H+]2CCc3ccc(O[C@@H]4C[C@@H]5CC[NH2+][C@H]5C4)nc3C2)cc1 ZINC001218252678 1373583915 /nfs/dbraw/zinc/58/39/15/1373583915.db2.gz UOGLBDKSYIUEIM-ZCNNSNEGSA-N 2 1 349.478 3.159 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001221544523 1373779019 /nfs/dbraw/zinc/77/90/19/1373779019.db2.gz XZKCIOYLOXDQMY-GUDVDZBRSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001221544523 1373779021 /nfs/dbraw/zinc/77/90/21/1373779021.db2.gz XZKCIOYLOXDQMY-GUDVDZBRSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001221544523 1373779024 /nfs/dbraw/zinc/77/90/24/1373779024.db2.gz XZKCIOYLOXDQMY-GUDVDZBRSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)CCc3cnc[nH]3)CCC2)C1 ZINC001326835196 1388325955 /nfs/dbraw/zinc/32/59/55/1388325955.db2.gz SAHDQWWGNSBOHZ-IAGOWNOFSA-N 2 1 346.519 3.187 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCC1 ZINC001326844632 1388328181 /nfs/dbraw/zinc/32/81/81/1388328181.db2.gz FIOXSZOGLWBYOH-IBGZPJMESA-N 2 1 349.563 3.316 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCCC2)CCC1 ZINC001326876362 1388335899 /nfs/dbraw/zinc/33/58/99/1388335899.db2.gz XHXVIVPNPVCSHD-SFHVURJKSA-N 2 1 335.536 3.070 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC001224883491 1375082590 /nfs/dbraw/zinc/08/25/90/1375082590.db2.gz BUIGJZFIKBKEPP-UHFFFAOYSA-N 2 1 339.568 3.373 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1CC[NH+](CC2CCCCC2)CC1 ZINC001225542119 1375122666 /nfs/dbraw/zinc/12/26/66/1375122666.db2.gz IGBZOOTZFDPQIR-HDICACEKSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132141961 1375166974 /nfs/dbraw/zinc/16/69/74/1375166974.db2.gz WBDCLSCUHCCUIF-ZWKOTPCHSA-N 2 1 346.519 3.067 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001132140419 1375167684 /nfs/dbraw/zinc/16/76/84/1375167684.db2.gz IHZWQPOOVKJPSW-WBVHZDCISA-N 2 1 342.487 3.416 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](CC2CCCCC2)C1 ZINC001132152787 1375173166 /nfs/dbraw/zinc/17/31/66/1375173166.db2.gz IVHBIDXGVXQKCV-WMZOPIPTSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCCCC2)C1 ZINC001132152787 1375173169 /nfs/dbraw/zinc/17/31/69/1375173169.db2.gz IVHBIDXGVXQKCV-WMZOPIPTSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CCCCC2)C1 ZINC001132152787 1375173172 /nfs/dbraw/zinc/17/31/72/1375173172.db2.gz IVHBIDXGVXQKCV-WMZOPIPTSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@H+]1CCC1CC1 ZINC001132207692 1375210831 /nfs/dbraw/zinc/21/08/31/1375210831.db2.gz VWIPGJODHLEYQG-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[NH+]1CCC1CC1 ZINC001132207692 1375210845 /nfs/dbraw/zinc/21/08/45/1375210845.db2.gz VWIPGJODHLEYQG-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[NH+]1CCC1CC1 ZINC001132207692 1375210851 /nfs/dbraw/zinc/21/08/51/1375210851.db2.gz VWIPGJODHLEYQG-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132211017 1375211163 /nfs/dbraw/zinc/21/11/63/1375211163.db2.gz KZACZZHGDLFKGI-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CCCC(C)(C)C ZINC001132269282 1375257689 /nfs/dbraw/zinc/25/76/89/1375257689.db2.gz IFFREDJZGLAXEK-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@H+]1CCC(C)(C)C ZINC001132310574 1375288598 /nfs/dbraw/zinc/28/85/98/1375288598.db2.gz LUZKUSFMACMSLU-IRXDYDNUSA-N 2 1 339.568 3.370 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[NH+]1CCC(C)(C)C ZINC001132310574 1375288600 /nfs/dbraw/zinc/28/86/00/1375288600.db2.gz LUZKUSFMACMSLU-IRXDYDNUSA-N 2 1 339.568 3.370 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[NH+]1CCC(C)(C)C ZINC001132310574 1375288608 /nfs/dbraw/zinc/28/86/08/1375288608.db2.gz LUZKUSFMACMSLU-IRXDYDNUSA-N 2 1 339.568 3.370 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC001132310266 1375289077 /nfs/dbraw/zinc/28/90/77/1375289077.db2.gz JYRQRKPEKPFVCD-MJGOQNOKSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[NH+]1Cc1ccccc1 ZINC001132310266 1375289086 /nfs/dbraw/zinc/28/90/86/1375289086.db2.gz JYRQRKPEKPFVCD-MJGOQNOKSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[NH+]1Cc1ccccc1 ZINC001132310266 1375289090 /nfs/dbraw/zinc/28/90/90/1375289090.db2.gz JYRQRKPEKPFVCD-MJGOQNOKSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@H+]1CC1CCCC1 ZINC001132311845 1375290529 /nfs/dbraw/zinc/29/05/29/1375290529.db2.gz YZXGMRXMQZKEEK-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[NH+]1CC1CCCC1 ZINC001132311845 1375290537 /nfs/dbraw/zinc/29/05/37/1375290537.db2.gz YZXGMRXMQZKEEK-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[NH+]1CC1CCCC1 ZINC001132311845 1375290543 /nfs/dbraw/zinc/29/05/43/1375290543.db2.gz YZXGMRXMQZKEEK-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132315777 1375292721 /nfs/dbraw/zinc/29/27/21/1375292721.db2.gz VRQVNHYHWINMDN-AWTIPJNISA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132315777 1375292726 /nfs/dbraw/zinc/29/27/26/1375292726.db2.gz VRQVNHYHWINMDN-AWTIPJNISA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132315777 1375292731 /nfs/dbraw/zinc/29/27/31/1375292731.db2.gz VRQVNHYHWINMDN-AWTIPJNISA-N 2 1 349.563 3.434 20 0 EGADMP CCCCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132332843 1375312889 /nfs/dbraw/zinc/31/28/89/1375312889.db2.gz XILLPNVZMNJNOW-IAGOWNOFSA-N 2 1 334.508 3.166 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132332843 1375312895 /nfs/dbraw/zinc/31/28/95/1375312895.db2.gz XILLPNVZMNJNOW-IAGOWNOFSA-N 2 1 334.508 3.166 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC001226889737 1375352567 /nfs/dbraw/zinc/35/25/67/1375352567.db2.gz BJEUDPLOSKIQKY-XUVXKRRUSA-N 2 1 343.515 3.078 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C ZINC001226891193 1375353709 /nfs/dbraw/zinc/35/37/09/1375353709.db2.gz RQJFAEAZSCVDAW-KZNAEPCWSA-N 2 1 337.552 3.314 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001226891866 1375354168 /nfs/dbraw/zinc/35/41/68/1375354168.db2.gz VQAJPEZUBAGYCN-IPMKNSEASA-N 2 1 335.536 3.068 20 0 EGADMP CCc1cccc(C[NH+]2C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@H]2C)c1 ZINC001132409817 1375358741 /nfs/dbraw/zinc/35/87/41/1375358741.db2.gz FMGJMTUMWPKBOC-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[N@@H+]2C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]2C)c1 ZINC001132409817 1375358745 /nfs/dbraw/zinc/35/87/45/1375358745.db2.gz FMGJMTUMWPKBOC-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[N@H+]2C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]2C)c1 ZINC001132409817 1375358750 /nfs/dbraw/zinc/35/87/50/1375358750.db2.gz FMGJMTUMWPKBOC-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](C/C=C/c2ccccc2)C1 ZINC001132410941 1375359762 /nfs/dbraw/zinc/35/97/62/1375359762.db2.gz QAZBOSKRLHPFHV-FFQNAWCLSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](C/C=C/c2ccccc2)C1 ZINC001132410941 1375359765 /nfs/dbraw/zinc/35/97/65/1375359765.db2.gz QAZBOSKRLHPFHV-FFQNAWCLSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](C/C=C/c2ccccc2)C1 ZINC001132410941 1375359772 /nfs/dbraw/zinc/35/97/72/1375359772.db2.gz QAZBOSKRLHPFHV-FFQNAWCLSA-N 2 1 343.515 3.011 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1Cc1cccc(F)c1 ZINC001132434480 1375378270 /nfs/dbraw/zinc/37/82/70/1375378270.db2.gz XJJJJRMPMNSVGP-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CCC1CCCC1 ZINC001132434640 1375380374 /nfs/dbraw/zinc/38/03/74/1375380374.db2.gz ZWYDFCOPHCUYCB-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC(CC)CC)C1 ZINC001132436342 1375381032 /nfs/dbraw/zinc/38/10/32/1375381032.db2.gz KRCBLIKEGNWEOE-AEFFLSMTSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(CC)CC)C1 ZINC001132436342 1375381033 /nfs/dbraw/zinc/38/10/33/1375381033.db2.gz KRCBLIKEGNWEOE-AEFFLSMTSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(CC)CC)C1 ZINC001132436342 1375381037 /nfs/dbraw/zinc/38/10/37/1375381037.db2.gz KRCBLIKEGNWEOE-AEFFLSMTSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001132441199 1375384966 /nfs/dbraw/zinc/38/49/66/1375384966.db2.gz LZTLEHXWYJDRTJ-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132441199 1375384969 /nfs/dbraw/zinc/38/49/69/1375384969.db2.gz LZTLEHXWYJDRTJ-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132441199 1375384974 /nfs/dbraw/zinc/38/49/74/1375384974.db2.gz LZTLEHXWYJDRTJ-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(CC)cc2)C1 ZINC001132440772 1375385676 /nfs/dbraw/zinc/38/56/76/1375385676.db2.gz FPPIMIILDDWHLA-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(CC)cc2)C1 ZINC001132440772 1375385681 /nfs/dbraw/zinc/38/56/81/1375385681.db2.gz FPPIMIILDDWHLA-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(CC)cc2)C1 ZINC001132440772 1375385686 /nfs/dbraw/zinc/38/56/86/1375385686.db2.gz FPPIMIILDDWHLA-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC001227091456 1375389040 /nfs/dbraw/zinc/38/90/40/1375389040.db2.gz NMJZGTUEHNKUBP-AQNXPRMDSA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132494545 1375424505 /nfs/dbraw/zinc/42/45/05/1375424505.db2.gz UGYUMYKSDCDFPE-RBUKOAKNSA-N 2 1 335.536 3.188 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CC1CCCC1 ZINC001132517500 1375436032 /nfs/dbraw/zinc/43/60/32/1375436032.db2.gz DCQXYTHFFOJXOO-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CC1CCCC1 ZINC001132517501 1375436258 /nfs/dbraw/zinc/43/62/58/1375436258.db2.gz DCQXYTHFFOJXOO-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132518749 1375436672 /nfs/dbraw/zinc/43/66/72/1375436672.db2.gz NSIOZAYNONHHNP-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001132518749 1375436674 /nfs/dbraw/zinc/43/66/74/1375436674.db2.gz NSIOZAYNONHHNP-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001132518749 1375436677 /nfs/dbraw/zinc/43/66/77/1375436677.db2.gz NSIOZAYNONHHNP-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CCCC1CCC1 ZINC001132518756 1375437391 /nfs/dbraw/zinc/43/73/91/1375437391.db2.gz NTMDIMLAZMCVLZ-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CC1CC(C)(C)C1 ZINC001132525494 1375441569 /nfs/dbraw/zinc/44/15/69/1375441569.db2.gz SMQZFBBKHZTEFE-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CCCC1CCC1 ZINC001132525751 1375441894 /nfs/dbraw/zinc/44/18/94/1375441894.db2.gz VBBOMWBROLJFHI-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132526101 1375442397 /nfs/dbraw/zinc/44/23/97/1375442397.db2.gz YGPDSKQUAIZBBM-WFRZBGSESA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)=CC[N@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541901 1375449409 /nfs/dbraw/zinc/44/94/09/1375449409.db2.gz MOPOFQGSOIZCEZ-AZUAARDMSA-N 2 1 343.515 3.054 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541901 1375449410 /nfs/dbraw/zinc/44/94/10/1375449410.db2.gz MOPOFQGSOIZCEZ-AZUAARDMSA-N 2 1 343.515 3.054 20 0 EGADMP CC(C)=CC[NH+]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541901 1375449411 /nfs/dbraw/zinc/44/94/11/1375449411.db2.gz MOPOFQGSOIZCEZ-AZUAARDMSA-N 2 1 343.515 3.054 20 0 EGADMP CC(C)=CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541901 1375449412 /nfs/dbraw/zinc/44/94/12/1375449412.db2.gz MOPOFQGSOIZCEZ-AZUAARDMSA-N 2 1 343.515 3.054 20 0 EGADMP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001227727536 1375466329 /nfs/dbraw/zinc/46/63/29/1375466329.db2.gz FTVHBSLZPAPHGP-RTBURBONSA-N 2 1 337.552 3.458 20 0 EGADMP C[NH+](C)Cc1c(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)ccc2ccccc21 ZINC001228440343 1375572313 /nfs/dbraw/zinc/57/23/13/1375572313.db2.gz CMKCFSJJXLWHGT-DLVCFXQMSA-N 2 1 338.451 3.084 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001228932309 1375719628 /nfs/dbraw/zinc/71/96/28/1375719628.db2.gz NNVARFMBCWZONR-GUDVDZBRSA-N 2 1 337.552 3.312 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001229127241 1375770250 /nfs/dbraw/zinc/77/02/50/1375770250.db2.gz UESBUCOUIGZLRZ-QZTJIDSGSA-N 2 1 334.508 3.179 20 0 EGADMP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133143260 1375804137 /nfs/dbraw/zinc/80/41/37/1375804137.db2.gz SABWINUATZZQDM-MSOLQXFVSA-N 2 1 346.519 3.047 20 0 EGADMP CC/C=C/CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001229463161 1375840697 /nfs/dbraw/zinc/84/06/97/1375840697.db2.gz ZNMXMLNWGRGGLS-UEKDZROGSA-N 2 1 335.536 3.186 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001229524960 1375851885 /nfs/dbraw/zinc/85/18/85/1375851885.db2.gz UNUHGNMJVCWBDR-RTBURBONSA-N 2 1 335.536 3.236 20 0 EGADMP CC[C@@H](F)C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001230017473 1375931575 /nfs/dbraw/zinc/93/15/75/1375931575.db2.gz WVFQODXRYLNBGW-IEBWSBKVSA-N 2 1 349.494 3.008 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133345454 1375934232 /nfs/dbraw/zinc/93/42/32/1375934232.db2.gz CJZIODNXPMIOFS-AZUAARDMSA-N 2 1 349.563 3.291 20 0 EGADMP CCCc1ccc(C[NH+]2CCC(NC(=O)C[N@H+](C)CCC)CC2)cc1 ZINC001230113129 1375945586 /nfs/dbraw/zinc/94/55/86/1375945586.db2.gz SSVIVCFGCNRHLT-UHFFFAOYSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001230113238 1375946369 /nfs/dbraw/zinc/94/63/69/1375946369.db2.gz YUSBWNRSQPKCDE-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230284546 1375984346 /nfs/dbraw/zinc/98/43/46/1375984346.db2.gz KDVDWLQYZSDVHF-MISYRCLQSA-N 2 1 345.531 3.413 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C ZINC001230284515 1375984994 /nfs/dbraw/zinc/98/49/94/1375984994.db2.gz IXODMWZEGLPCJD-IAGOWNOFSA-N 2 1 325.541 3.170 20 0 EGADMP CCCCCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001230374258 1376009678 /nfs/dbraw/zinc/00/96/78/1376009678.db2.gz MDBSBJJUYOSGMQ-FQEVSTJZSA-N 2 1 345.531 3.450 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230592190 1376090695 /nfs/dbraw/zinc/09/06/95/1376090695.db2.gz UNUMUNPLKQELNW-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC)CC1)C(C)C ZINC001230611647 1376102208 /nfs/dbraw/zinc/10/22/08/1376102208.db2.gz WXFUNTGZWQMFHV-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)c1ccc2ccccc2c1 ZINC001133834450 1376224010 /nfs/dbraw/zinc/22/40/10/1376224010.db2.gz YEOYDJKXZGHMAT-SJORKVTESA-N 2 1 339.483 3.091 20 0 EGADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232013524 1376382185 /nfs/dbraw/zinc/38/21/85/1376382185.db2.gz AXYHZFFXIFSAFP-OAHLLOKOSA-N 2 1 330.432 3.004 20 0 EGADMP O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc3c[nH+]ccc3[nH]2)N1c1ccccc1 ZINC001232013805 1376382791 /nfs/dbraw/zinc/38/27/91/1376382791.db2.gz UHKBRNLIGKTHAV-WOJBJXKFSA-N 2 1 346.434 3.333 20 0 EGADMP C[N@H+](Cc1cncc(O)c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001232044838 1376389679 /nfs/dbraw/zinc/38/96/79/1376389679.db2.gz OKLGZRJPSNVVTO-UHFFFAOYSA-N 2 1 325.456 3.131 20 0 EGADMP CSc1cc(C)c(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)cn1 ZINC001232351930 1376446384 /nfs/dbraw/zinc/44/63/84/1376446384.db2.gz SHYQINGQGBWSFK-INIZCTEOSA-N 2 1 329.469 3.469 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232361999 1376449696 /nfs/dbraw/zinc/44/96/96/1376449696.db2.gz IGSPCZAHUGEPJC-HXUWFJFHSA-N 2 1 338.499 3.417 20 0 EGADMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3cccs3)cn2)CC1 ZINC001232366593 1376451099 /nfs/dbraw/zinc/45/10/99/1376451099.db2.gz YFSVIMSRLIPOHQ-QGZVFWFLSA-N 2 1 342.512 3.232 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c[nH]c3ccc(O)cc23)CC1 ZINC001232864238 1376524962 /nfs/dbraw/zinc/52/49/62/1376524962.db2.gz NWHPNDWUHLZNKM-UHFFFAOYSA-N 2 1 336.439 3.316 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612368 1376624458 /nfs/dbraw/zinc/62/44/58/1376624458.db2.gz LREWMWBJVQSKIR-IRXDYDNUSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001134762967 1376707775 /nfs/dbraw/zinc/70/77/75/1376707775.db2.gz IYQHBRBOLATHRF-SFHVURJKSA-N 2 1 337.552 3.172 20 0 EGADMP COc1ccc2c(OC)ccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC001235038117 1376836084 /nfs/dbraw/zinc/83/60/84/1376836084.db2.gz TTWOBCYJRHVJRH-HXUWFJFHSA-N 2 1 326.440 3.042 20 0 EGADMP Cc1nccn1-c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427706 1376870332 /nfs/dbraw/zinc/87/03/32/1376870332.db2.gz MYUGPYYZFKSVKR-PMACEKPBSA-N 2 1 338.499 3.392 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427706 1376870337 /nfs/dbraw/zinc/87/03/37/1376870337.db2.gz MYUGPYYZFKSVKR-PMACEKPBSA-N 3 1 338.499 3.392 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427706 1376870341 /nfs/dbraw/zinc/87/03/41/1376870341.db2.gz MYUGPYYZFKSVKR-PMACEKPBSA-N 3 1 338.499 3.392 20 0 EGADMP COc1ccc2c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c[nH]c2c1 ZINC001235429735 1376870516 /nfs/dbraw/zinc/87/05/16/1376870516.db2.gz RERONZQEVPHUQO-JKSUJKDBSA-N 2 1 327.472 3.388 20 0 EGADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(C[C@H]2CCCC[NH2+]2)C3)c1 ZINC001235630245 1376879212 /nfs/dbraw/zinc/87/92/12/1376879212.db2.gz WWSIOPFALIQEEP-UXHICEINSA-N 2 1 331.479 3.008 20 0 EGADMP CC[N@@H+](Cc1cc(Br)ccc1N(C)C)C1CC[NH2+]CC1 ZINC001235764488 1376890000 /nfs/dbraw/zinc/89/00/00/1376890000.db2.gz GQUGZNOCFWNARY-UHFFFAOYSA-N 2 1 340.309 3.089 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)cc1 ZINC001135095837 1376892258 /nfs/dbraw/zinc/89/22/58/1376892258.db2.gz SKXGNDBKFCBTFH-VQTJNVASSA-N 2 1 343.515 3.033 20 0 EGADMP Clc1cccc([C@@H]2CC[N@@H+](CC[C@H]3C[NH2+]CCO3)C2)c1Cl ZINC001235885226 1376911029 /nfs/dbraw/zinc/91/10/29/1376911029.db2.gz TWYLNECEKZDKPQ-OLZOCXBDSA-N 2 1 329.271 3.161 20 0 EGADMP COCC[N@@H+](CCCc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001235946786 1376922128 /nfs/dbraw/zinc/92/21/28/1376922128.db2.gz SROBBKYZZXWONO-UHFFFAOYSA-N 2 1 344.421 3.338 20 0 EGADMP CCOC(=O)[C@H]1CC[N@H+](CC[C@@H]2CCCC[NH2+]2)C[C@H]1c1ccccc1 ZINC001236007388 1376926159 /nfs/dbraw/zinc/92/61/59/1376926159.db2.gz AIHQMOGHCVVMTO-UFYCRDLUSA-N 2 1 344.499 3.187 20 0 EGADMP CCOC(=O)[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH2+]2)C[C@H]1c1ccccc1 ZINC001236007388 1376926169 /nfs/dbraw/zinc/92/61/69/1376926169.db2.gz AIHQMOGHCVVMTO-UFYCRDLUSA-N 2 1 344.499 3.187 20 0 EGADMP [NH3+]C1CN([C@H]2CCC[N@@H+](Cc3sccc3Oc3ccccc3)C2)C1 ZINC001236077037 1376932301 /nfs/dbraw/zinc/93/23/01/1376932301.db2.gz FBMWPGGBLISCTD-INIZCTEOSA-N 2 1 343.496 3.148 20 0 EGADMP [NH3+]C1CCC([N@H+](Cc2ccccc2)C[C@@H]2Cc3ccccc3CN2)CC1 ZINC001236227319 1376943264 /nfs/dbraw/zinc/94/32/64/1376943264.db2.gz BTVHCHHAXXZCHH-KOENEWCDSA-N 2 1 349.522 3.473 20 0 EGADMP [NH3+]C1CCC(N(Cc2ccccc2)C[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC001236227319 1376943271 /nfs/dbraw/zinc/94/32/71/1376943271.db2.gz BTVHCHHAXXZCHH-KOENEWCDSA-N 2 1 349.522 3.473 20 0 EGADMP CC(C)(C)OC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCC1CC[NH2+]CC1 ZINC001236230332 1376943816 /nfs/dbraw/zinc/94/38/16/1376943816.db2.gz KZTRWBVSIFQLDJ-IBGZPJMESA-N 2 1 344.499 3.145 20 0 EGADMP CC(C)(C)OC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCC1CC[NH2+]CC1 ZINC001236230332 1376943824 /nfs/dbraw/zinc/94/38/24/1376943824.db2.gz KZTRWBVSIFQLDJ-IBGZPJMESA-N 2 1 344.499 3.145 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)CCC[N@H+](C)CC1CCCCC1 ZINC001327263998 1388471786 /nfs/dbraw/zinc/47/17/86/1388471786.db2.gz JCOKEPXIEVZIJM-UHFFFAOYSA-N 2 1 348.535 3.367 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)CCC[N@@H+](C)CC1CCCCC1 ZINC001327263998 1388471790 /nfs/dbraw/zinc/47/17/90/1388471790.db2.gz JCOKEPXIEVZIJM-UHFFFAOYSA-N 2 1 348.535 3.367 20 0 EGADMP CCC[N@@H+](Cc1ccc(O)cc1OC(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001236844063 1376965894 /nfs/dbraw/zinc/96/58/94/1376965894.db2.gz SMDOPXDDUDGNHH-LBPRGKRZSA-N 2 1 332.366 3.112 20 0 EGADMP CCC[N@H+](Cc1ccc(O)cc1OC(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001236844063 1376965901 /nfs/dbraw/zinc/96/59/01/1376965901.db2.gz SMDOPXDDUDGNHH-LBPRGKRZSA-N 2 1 332.366 3.112 20 0 EGADMP CCC[N@@H+](Cc1cc(OC(F)(F)F)ccc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236844101 1376966173 /nfs/dbraw/zinc/96/61/73/1376966173.db2.gz SVRQEDFKOMZYFV-CYBMUJFWSA-N 2 1 346.393 3.415 20 0 EGADMP CCC[N@H+](Cc1cc(OC(F)(F)F)ccc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236844101 1376966177 /nfs/dbraw/zinc/96/61/77/1376966177.db2.gz SVRQEDFKOMZYFV-CYBMUJFWSA-N 2 1 346.393 3.415 20 0 EGADMP Cc1cnc(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)nc1 ZINC001237804460 1376987841 /nfs/dbraw/zinc/98/78/41/1376987841.db2.gz UZESTAYKFQEVFA-SFHVURJKSA-N 2 1 340.471 3.255 20 0 EGADMP Cc1cnc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)nc1 ZINC001237804460 1376987847 /nfs/dbraw/zinc/98/78/47/1376987847.db2.gz UZESTAYKFQEVFA-SFHVURJKSA-N 2 1 340.471 3.255 20 0 EGADMP [NH3+]C1CCC([N@H+]([C@@H]2C[C@H]2c2ccccc2)[C@H]2CCCCNC2)CC1 ZINC001246292451 1377051318 /nfs/dbraw/zinc/05/13/18/1377051318.db2.gz WBIHYCYXVVPOKC-VKNHOLBOSA-N 2 1 327.516 3.257 20 0 EGADMP [NH3+]C1CCC([N@@H+]([C@@H]2C[C@H]2c2ccccc2)[C@H]2CCCCNC2)CC1 ZINC001246292451 1377051319 /nfs/dbraw/zinc/05/13/19/1377051319.db2.gz WBIHYCYXVVPOKC-VKNHOLBOSA-N 2 1 327.516 3.257 20 0 EGADMP CC1(C)C[C@H]([N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246722148 1377053435 /nfs/dbraw/zinc/05/34/35/1377053435.db2.gz HOQONJRZBBIYPH-HLIPFELVSA-N 2 1 329.488 3.093 20 0 EGADMP CC(C)CN1c2ccccc2[C@@H]2C[N@@H+]([C@H]3CCC4(C[NH2+]C4)C3)CC[C@@H]21 ZINC001246763316 1377053977 /nfs/dbraw/zinc/05/39/77/1377053977.db2.gz HGBPFMZCVADHMU-CUWPLCDZSA-N 2 1 339.527 3.463 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccccc1Cl ZINC001135436986 1377096718 /nfs/dbraw/zinc/09/67/18/1377096718.db2.gz JBAWVDSRMFCWEE-UHFFFAOYSA-N 2 1 339.911 3.058 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001135437025 1377097157 /nfs/dbraw/zinc/09/71/57/1377097157.db2.gz KDNDJFLQITVWAY-MRXNPFEDSA-N 2 1 347.494 3.030 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001135440059 1377098545 /nfs/dbraw/zinc/09/85/45/1377098545.db2.gz CXVFKZGIVZDQTO-IBGZPJMESA-N 2 1 349.494 3.031 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H]1CCc2c1cccc2F ZINC001135441090 1377099317 /nfs/dbraw/zinc/09/93/17/1377099317.db2.gz YZDMOCFOXUSCHK-LJQANCHMSA-N 2 1 349.494 3.031 20 0 EGADMP [NH3+]C1(c2ccccc2C(F)(F)F)CC[NH+]([C@H]2CCCOC2)CC1 ZINC001254372614 1377103148 /nfs/dbraw/zinc/10/31/48/1377103148.db2.gz XOQGRUIEKAVXRW-ZDUSSCGKSA-N 2 1 328.378 3.134 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(Cc3ccccc3F)CCOCC2)CC1 ZINC001254510734 1377105534 /nfs/dbraw/zinc/10/55/34/1377105534.db2.gz QBAMYCFNUFOCOA-GOSISDBHSA-N 2 1 334.479 3.239 20 0 EGADMP CC[N@@H+]([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[NH+](C)CC1 ZINC001254530079 1377107452 /nfs/dbraw/zinc/10/74/52/1377107452.db2.gz UPMFWLMHGNUQGE-SJORKVTESA-N 2 1 339.524 3.192 20 0 EGADMP CC[NH+]([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254530079 1377107453 /nfs/dbraw/zinc/10/74/53/1377107453.db2.gz UPMFWLMHGNUQGE-SJORKVTESA-N 2 1 339.524 3.192 20 0 EGADMP CC[NH+]([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254530079 1377107457 /nfs/dbraw/zinc/10/74/57/1377107457.db2.gz UPMFWLMHGNUQGE-SJORKVTESA-N 2 1 339.524 3.192 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1 ZINC001135475467 1377110006 /nfs/dbraw/zinc/11/00/06/1377110006.db2.gz AVFXLUUOYTYYBK-SJORKVTESA-N 2 1 333.520 3.037 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001135583791 1377155074 /nfs/dbraw/zinc/15/50/74/1377155074.db2.gz FNJJRKMKRDYHNH-SJORKVTESA-N 2 1 346.519 3.380 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001135680557 1377182914 /nfs/dbraw/zinc/18/29/14/1377182914.db2.gz XKRAICLGNJRLSM-JKSUJKDBSA-N 2 1 348.535 3.281 20 0 EGADMP CCc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)[NH+](C)C)cc1 ZINC001135717629 1377193248 /nfs/dbraw/zinc/19/32/48/1377193248.db2.gz XNTWAPGRONMKKX-UXHICEINSA-N 2 1 345.531 3.088 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001135857713 1377236821 /nfs/dbraw/zinc/23/68/21/1377236821.db2.gz MWOVWXHYDOJFPD-QWHCGFSZSA-N 2 1 345.940 3.116 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC001135858453 1377237056 /nfs/dbraw/zinc/23/70/56/1377237056.db2.gz YHBUZYUIBMXPOC-HUUCEWRRSA-N 2 1 339.911 3.055 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001135857714 1377237134 /nfs/dbraw/zinc/23/71/34/1377237134.db2.gz MWOVWXHYDOJFPD-STQMWFEESA-N 2 1 345.940 3.116 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)sc1C ZINC001135861489 1377238725 /nfs/dbraw/zinc/23/87/25/1377238725.db2.gz RSZMZUPPVHOFHW-ZIAGYGMSSA-N 2 1 339.549 3.080 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001135974607 1377283818 /nfs/dbraw/zinc/28/38/18/1377283818.db2.gz RWOPSVBCRSQZIH-FCJQBXHQSA-N 2 1 345.531 3.305 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001135980276 1377285849 /nfs/dbraw/zinc/28/58/49/1377285849.db2.gz MOVADUUYJGBBFN-SJORKVTESA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135980165 1377286379 /nfs/dbraw/zinc/28/63/79/1377286379.db2.gz LXDUMIRYLIHYLP-DLBZAZTESA-N 2 1 345.531 3.279 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC001135996445 1377292308 /nfs/dbraw/zinc/29/23/08/1377292308.db2.gz SWTOBXAUGQSOKW-HUUCEWRRSA-N 2 1 339.549 3.161 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001266361364 1377295930 /nfs/dbraw/zinc/29/59/30/1377295930.db2.gz LVZUMRDYDHEDOO-AZUAARDMSA-N 2 1 343.515 3.123 20 0 EGADMP C[NH+](C)C1(C(=O)NCC[N@@H+](CC2CCC(C)(C)CC2)C2CC2)CCC1 ZINC001266594464 1377340694 /nfs/dbraw/zinc/34/06/94/1377340694.db2.gz LQQRSAGUOWNPAE-UHFFFAOYSA-N 2 1 349.563 3.268 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)cs1)C2 ZINC001137154610 1377487244 /nfs/dbraw/zinc/48/72/44/1377487244.db2.gz NBDCBZALPFMKIC-MJGOQNOKSA-N 2 1 334.529 3.237 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(C)cs1)C2 ZINC001137154610 1377487246 /nfs/dbraw/zinc/48/72/46/1377487246.db2.gz NBDCBZALPFMKIC-MJGOQNOKSA-N 2 1 334.529 3.237 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(C)cs1)C2 ZINC001137154610 1377487250 /nfs/dbraw/zinc/48/72/50/1377487250.db2.gz NBDCBZALPFMKIC-MJGOQNOKSA-N 2 1 334.529 3.237 20 0 EGADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc(F)c1OC ZINC001137506254 1377558634 /nfs/dbraw/zinc/55/86/34/1377558634.db2.gz NIPCHVJOEFSEGO-UHFFFAOYSA-N 2 1 338.467 3.395 20 0 EGADMP CCCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001753319713 1440362367 /nfs/dbraw/zinc/36/23/67/1440362367.db2.gz LDMYSZAAAGLMBX-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CCCN(C(=O)CC[N@H+](C)CC)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001753319713 1440362368 /nfs/dbraw/zinc/36/23/68/1440362368.db2.gz LDMYSZAAAGLMBX-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CCCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001753319713 1440362369 /nfs/dbraw/zinc/36/23/69/1440362369.db2.gz LDMYSZAAAGLMBX-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 ZINC001138578390 1377746734 /nfs/dbraw/zinc/74/67/34/1377746734.db2.gz DKJXWRWWMWMAQX-UHFFFAOYSA-N 2 1 327.476 3.150 20 0 EGADMP c1cc2cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)cnc2[nH]1 ZINC001138741297 1377777902 /nfs/dbraw/zinc/77/79/02/1377777902.db2.gz USMQNSPALYQGPK-WOJBJXKFSA-N 2 1 332.451 3.127 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)nn1C ZINC001138829999 1377793117 /nfs/dbraw/zinc/79/31/17/1377793117.db2.gz CMYJFDWROWCYLV-PMACEKPBSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)nn1C ZINC001138829999 1377793118 /nfs/dbraw/zinc/79/31/18/1377793118.db2.gz CMYJFDWROWCYLV-PMACEKPBSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)nn1C ZINC001138829999 1377793119 /nfs/dbraw/zinc/79/31/19/1377793119.db2.gz CMYJFDWROWCYLV-PMACEKPBSA-N 2 1 338.499 3.073 20 0 EGADMP CC(C)COc1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1 ZINC001138969863 1377811172 /nfs/dbraw/zinc/81/11/72/1377811172.db2.gz WBEBVUIROOCEEK-UHFFFAOYSA-N 2 1 345.487 3.351 20 0 EGADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001139100053 1377829634 /nfs/dbraw/zinc/82/96/34/1377829634.db2.gz PXNOJDVYBNAEDD-PMACEKPBSA-N 2 1 338.499 3.371 20 0 EGADMP CN1CCN(c2ncc(C[N@H+]3CCC4(C3)CCCCC4)s2)CC1 ZINC001139327069 1377868908 /nfs/dbraw/zinc/86/89/08/1377868908.db2.gz XZVYEOCRLAQRNZ-UHFFFAOYSA-N 2 1 334.533 3.051 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC4(C3)CCCCC4)s2)CC1 ZINC001139327069 1377868909 /nfs/dbraw/zinc/86/89/09/1377868909.db2.gz XZVYEOCRLAQRNZ-UHFFFAOYSA-N 2 1 334.533 3.051 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC4(C3)CCCCC4)s2)CC1 ZINC001139327069 1377868910 /nfs/dbraw/zinc/86/89/10/1377868910.db2.gz XZVYEOCRLAQRNZ-UHFFFAOYSA-N 2 1 334.533 3.051 20 0 EGADMP c1ncn(-c2ccc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cc2)n1 ZINC001139332808 1377868943 /nfs/dbraw/zinc/86/89/43/1377868943.db2.gz NKGBLIQRIOCVCV-IBGZPJMESA-N 2 1 339.487 3.108 20 0 EGADMP Cn1ncc2cc(C[N@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)ccc21 ZINC001139952678 1377982605 /nfs/dbraw/zinc/98/26/05/1377982605.db2.gz USHAXSSRNSUWLC-RBUKOAKNSA-N 2 1 326.488 3.412 20 0 EGADMP Cn1ncc2cc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@@H+]3C)ccc21 ZINC001139952678 1377982607 /nfs/dbraw/zinc/98/26/07/1377982607.db2.gz USHAXSSRNSUWLC-RBUKOAKNSA-N 2 1 326.488 3.412 20 0 EGADMP Cn1ncc2cc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@H+]3C)ccc21 ZINC001139952678 1377982609 /nfs/dbraw/zinc/98/26/09/1377982609.db2.gz USHAXSSRNSUWLC-RBUKOAKNSA-N 2 1 326.488 3.412 20 0 EGADMP COC1CC[NH+](C2CC[NH+](Cc3cccc4cnccc43)CC2)CC1 ZINC001140145777 1378020765 /nfs/dbraw/zinc/02/07/65/1378020765.db2.gz SXQCJOHKGMAANG-UHFFFAOYSA-N 2 1 339.483 3.310 20 0 EGADMP CC[N@@H+](CCn1ccnc1)Cc1cccc(Br)c1OC ZINC001140155764 1378022738 /nfs/dbraw/zinc/02/27/38/1378022738.db2.gz KLPGWMNJQRNFJU-UHFFFAOYSA-N 2 1 338.249 3.176 20 0 EGADMP CCCC[C@@H](CC)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC1)CC2 ZINC001273364163 1378099710 /nfs/dbraw/zinc/09/97/10/1378099710.db2.gz WIHPSHUSGPENLF-LJQANCHMSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[C@@H](CC)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC1)CC2 ZINC001273364163 1378099717 /nfs/dbraw/zinc/09/97/17/1378099717.db2.gz WIHPSHUSGPENLF-LJQANCHMSA-N 2 1 349.563 3.223 20 0 EGADMP CN(C[C@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1)C(=O)OC(C)(C)C ZINC001140804821 1378144837 /nfs/dbraw/zinc/14/48/37/1378144837.db2.gz GZPFSHHDIGCRHN-CQSZACIVSA-N 2 1 344.459 3.252 20 0 EGADMP CN(C[C@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1)C(=O)OC(C)(C)C ZINC001140804821 1378144839 /nfs/dbraw/zinc/14/48/39/1378144839.db2.gz GZPFSHHDIGCRHN-CQSZACIVSA-N 2 1 344.459 3.252 20 0 EGADMP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1c[nH]c2ccncc12 ZINC001140805166 1378144960 /nfs/dbraw/zinc/14/49/60/1378144960.db2.gz UUKOEXZMSBEGNS-UHFFFAOYSA-N 2 1 345.535 3.049 20 0 EGADMP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805166 1378144962 /nfs/dbraw/zinc/14/49/62/1378144962.db2.gz UUKOEXZMSBEGNS-UHFFFAOYSA-N 3 1 345.535 3.049 20 0 EGADMP CCC[C@@H](COC)[N@H+](CCC(=O)OCC)Cc1c[nH]c2cc[nH+]cc12 ZINC001140806250 1378146003 /nfs/dbraw/zinc/14/60/03/1378146003.db2.gz YYPWWRUOPIJZSO-INIZCTEOSA-N 2 1 347.459 3.133 20 0 EGADMP CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)Cc1c[nH]c2cc[nH+]cc12 ZINC001140806250 1378146005 /nfs/dbraw/zinc/14/60/05/1378146005.db2.gz YYPWWRUOPIJZSO-INIZCTEOSA-N 2 1 347.459 3.133 20 0 EGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3-c3cncnc3)CC2)C1 ZINC001275895441 1378161208 /nfs/dbraw/zinc/16/12/08/1378161208.db2.gz SPVZTOAWZINHKH-UHFFFAOYSA-N 2 1 336.483 3.451 20 0 EGADMP C[N@H+]1CC[C@]2(C1)CCCN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C2 ZINC001276492584 1378175836 /nfs/dbraw/zinc/17/58/36/1378175836.db2.gz WMJSZYFZZPCFPW-VXKWHMMOSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCCN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C2 ZINC001276492584 1378175838 /nfs/dbraw/zinc/17/58/38/1378175838.db2.gz WMJSZYFZZPCFPW-VXKWHMMOSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCCN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C2 ZINC001276492584 1378175841 /nfs/dbraw/zinc/17/58/41/1378175841.db2.gz WMJSZYFZZPCFPW-VXKWHMMOSA-N 2 1 341.543 3.459 20 0 EGADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cscc1Br)CC2 ZINC001276873272 1378190094 /nfs/dbraw/zinc/19/00/94/1378190094.db2.gz SRSYSVWDODFSHQ-UHFFFAOYSA-N 2 1 329.307 3.428 20 0 EGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cscc1Br)CC2 ZINC001276873272 1378190098 /nfs/dbraw/zinc/19/00/98/1378190098.db2.gz SRSYSVWDODFSHQ-UHFFFAOYSA-N 2 1 329.307 3.428 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCc3ccc(F)cc3C2)CC1 ZINC001140971587 1378195936 /nfs/dbraw/zinc/19/59/36/1378195936.db2.gz XSJGBZPLMFOTKV-UHFFFAOYSA-N 2 1 339.458 3.136 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCc3ccc(F)cc3C2)CC1 ZINC001140971587 1378195939 /nfs/dbraw/zinc/19/59/39/1378195939.db2.gz XSJGBZPLMFOTKV-UHFFFAOYSA-N 2 1 339.458 3.136 20 0 EGADMP COC(C)(C)C[NH+]1CCC2(CC[N@@H+](Cc3scnc3C)C2)CC1 ZINC001277584666 1378234660 /nfs/dbraw/zinc/23/46/60/1378234660.db2.gz MUVWWYDXGQIZQN-UHFFFAOYSA-N 2 1 337.533 3.164 20 0 EGADMP CCOC(=O)CCC[N@@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001277880971 1378248947 /nfs/dbraw/zinc/24/89/47/1378248947.db2.gz OXUXJCLCQYKYEG-HXUWFJFHSA-N 2 1 336.520 3.450 20 0 EGADMP CCOC(=O)CCC[N@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001277880971 1378248952 /nfs/dbraw/zinc/24/89/52/1378248952.db2.gz OXUXJCLCQYKYEG-HXUWFJFHSA-N 2 1 336.520 3.450 20 0 EGADMP CCOC(=O)CCC[NH+]1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001277880971 1378248954 /nfs/dbraw/zinc/24/89/54/1378248954.db2.gz OXUXJCLCQYKYEG-HXUWFJFHSA-N 2 1 336.520 3.450 20 0 EGADMP CCOC(=O)CCC[NH+]1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001277880971 1378248963 /nfs/dbraw/zinc/24/89/63/1378248963.db2.gz OXUXJCLCQYKYEG-HXUWFJFHSA-N 2 1 336.520 3.450 20 0 EGADMP CC(C)(CO)C[N@@H+]1CCC[C@@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001277962623 1378253704 /nfs/dbraw/zinc/25/37/04/1378253704.db2.gz CKHMUSMPDRNQQV-INIZCTEOSA-N 2 1 336.442 3.135 20 0 EGADMP CC(C)(CO)C[N@H+]1CCC[C@@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001277962623 1378253709 /nfs/dbraw/zinc/25/37/09/1378253709.db2.gz CKHMUSMPDRNQQV-INIZCTEOSA-N 2 1 336.442 3.135 20 0 EGADMP CC(C)(CO)C[NH+]1CCC[C@@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001277962623 1378253712 /nfs/dbraw/zinc/25/37/12/1378253712.db2.gz CKHMUSMPDRNQQV-INIZCTEOSA-N 2 1 336.442 3.135 20 0 EGADMP CC(C)(CO)C[NH+]1CCC[C@@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001277962623 1378253716 /nfs/dbraw/zinc/25/37/16/1378253716.db2.gz CKHMUSMPDRNQQV-INIZCTEOSA-N 2 1 336.442 3.135 20 0 EGADMP CCC[C@H](C)C[N@H+]1CC[C@@]2(CCC[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001278148275 1378260050 /nfs/dbraw/zinc/26/00/50/1378260050.db2.gz MULMQMHTNUCSRT-CUWPLCDZSA-N 2 1 349.563 3.125 20 0 EGADMP COc1cc(C)c(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)c(C)c1 ZINC001142950975 1378515750 /nfs/dbraw/zinc/51/57/50/1378515750.db2.gz UFGUBYIUGWRHOM-UHFFFAOYSA-N 2 1 346.515 3.387 20 0 EGADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc(F)c(OC(F)(F)F)c3)C2)C1 ZINC001143447005 1378597972 /nfs/dbraw/zinc/59/79/72/1378597972.db2.gz NFCKIUXNPSXHRS-OAHLLOKOSA-N 2 1 332.341 3.252 20 0 EGADMP COc1cc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001143514435 1378606844 /nfs/dbraw/zinc/60/68/44/1378606844.db2.gz UCCUTJUFTTWNOK-KGLIPLIRSA-N 2 1 328.378 3.098 20 0 EGADMP COc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001143514435 1378606846 /nfs/dbraw/zinc/60/68/46/1378606846.db2.gz UCCUTJUFTTWNOK-KGLIPLIRSA-N 2 1 328.378 3.098 20 0 EGADMP COc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001143514435 1378606848 /nfs/dbraw/zinc/60/68/48/1378606848.db2.gz UCCUTJUFTTWNOK-KGLIPLIRSA-N 2 1 328.378 3.098 20 0 EGADMP COc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001143514435 1378606850 /nfs/dbraw/zinc/60/68/50/1378606850.db2.gz UCCUTJUFTTWNOK-KGLIPLIRSA-N 2 1 328.378 3.098 20 0 EGADMP COc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001143514435 1378606851 /nfs/dbraw/zinc/60/68/51/1378606851.db2.gz UCCUTJUFTTWNOK-KGLIPLIRSA-N 2 1 328.378 3.098 20 0 EGADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)cc(F)c1)C2 ZINC001143587935 1378621625 /nfs/dbraw/zinc/62/16/25/1378621625.db2.gz UVPYMIHZTZFMSS-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)cc(F)c1)C2 ZINC001143587935 1378621629 /nfs/dbraw/zinc/62/16/29/1378621629.db2.gz UVPYMIHZTZFMSS-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(C)cc(F)c1)C2 ZINC001143587935 1378621632 /nfs/dbraw/zinc/62/16/32/1378621632.db2.gz UVPYMIHZTZFMSS-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(C)cc(F)c1)C2 ZINC001143587935 1378621635 /nfs/dbraw/zinc/62/16/35/1378621635.db2.gz UVPYMIHZTZFMSS-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1C(F)(F)F ZINC001143638989 1378628780 /nfs/dbraw/zinc/62/87/80/1378628780.db2.gz JWTBELKAIRSKJT-KGLIPLIRSA-N 2 1 328.378 3.098 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1C(F)(F)F ZINC001143638989 1378628784 /nfs/dbraw/zinc/62/87/84/1378628784.db2.gz JWTBELKAIRSKJT-KGLIPLIRSA-N 2 1 328.378 3.098 20 0 EGADMP COc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1C(F)(F)F ZINC001143638989 1378628789 /nfs/dbraw/zinc/62/87/89/1378628789.db2.gz JWTBELKAIRSKJT-KGLIPLIRSA-N 2 1 328.378 3.098 20 0 EGADMP COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1C(F)(F)F ZINC001143638989 1378628791 /nfs/dbraw/zinc/62/87/91/1378628791.db2.gz JWTBELKAIRSKJT-KGLIPLIRSA-N 2 1 328.378 3.098 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c(OC(F)(F)F)c1 ZINC001143879663 1378657059 /nfs/dbraw/zinc/65/70/59/1378657059.db2.gz RKIZCXGIIKERHY-UHFFFAOYSA-N 2 1 334.382 3.367 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)[C@@H](C)c2cccc(C)c2)CC1 ZINC001283339946 1378822977 /nfs/dbraw/zinc/82/29/77/1378822977.db2.gz ATTBJYRZRXKTJB-SFHVURJKSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@H+](C)[C@@H](C)c2cccc(C)c2)CC1 ZINC001283339946 1378822981 /nfs/dbraw/zinc/82/29/81/1378822981.db2.gz ATTBJYRZRXKTJB-SFHVURJKSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](C)[C@@H](C)c2cccc(C)c2)CC1 ZINC001283339946 1378822987 /nfs/dbraw/zinc/82/29/87/1378822987.db2.gz ATTBJYRZRXKTJB-SFHVURJKSA-N 2 1 345.531 3.321 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1ccccc1 ZINC001147359380 1379009046 /nfs/dbraw/zinc/00/90/46/1379009046.db2.gz PZLYTKNHCFSBFB-PKOBYXMFSA-N 2 1 331.504 3.108 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH2+][C@H](C)c1ccccc1)c1ccccc1 ZINC001147466410 1379025819 /nfs/dbraw/zinc/02/58/19/1379025819.db2.gz KYTWKEGNLSYEIE-XLIONFOSSA-N 2 1 339.483 3.146 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC1CCCC1)C2 ZINC001148458111 1379175986 /nfs/dbraw/zinc/17/59/86/1379175986.db2.gz JJXCHHFMEOKACK-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CC1CCCC1)C2 ZINC001148458111 1379175989 /nfs/dbraw/zinc/17/59/89/1379175989.db2.gz JJXCHHFMEOKACK-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CC1CCCC1)C2 ZINC001148458111 1379175990 /nfs/dbraw/zinc/17/59/90/1379175990.db2.gz JJXCHHFMEOKACK-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001148578201 1379216437 /nfs/dbraw/zinc/21/64/37/1379216437.db2.gz QGVNMRAMPZFGHY-UHFFFAOYSA-N 2 1 345.531 3.282 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001148605754 1379224164 /nfs/dbraw/zinc/22/41/64/1379224164.db2.gz UDXWEMRWUGERNN-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148839981 1379280865 /nfs/dbraw/zinc/28/08/65/1379280865.db2.gz WUGGBSPHLKCQPE-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148842782 1379282316 /nfs/dbraw/zinc/28/23/16/1379282316.db2.gz CCYMLXUSUIGHGZ-LJQANCHMSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001148842782 1379282319 /nfs/dbraw/zinc/28/23/19/1379282319.db2.gz CCYMLXUSUIGHGZ-LJQANCHMSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001148842782 1379282326 /nfs/dbraw/zinc/28/23/26/1379282326.db2.gz CCYMLXUSUIGHGZ-LJQANCHMSA-N 2 1 343.515 3.012 20 0 EGADMP Fc1cccc(-c2noc([C@@H]3CCC[N@@H+](C[C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC001327865892 1388609566 /nfs/dbraw/zinc/60/95/66/1388609566.db2.gz VNAPMHJOOYYSAW-GDBMZVCRSA-N 2 1 344.434 3.055 20 0 EGADMP C[C@H](C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001150568589 1379570840 /nfs/dbraw/zinc/57/08/40/1379570840.db2.gz URODNNVBUQRIRK-FCGDIQPGSA-N 2 1 343.515 3.153 20 0 EGADMP C[C@H](C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001150568589 1379570843 /nfs/dbraw/zinc/57/08/43/1379570843.db2.gz URODNNVBUQRIRK-FCGDIQPGSA-N 2 1 343.515 3.153 20 0 EGADMP CC[N@@H+](CC/C=C\c1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392806 1379926161 /nfs/dbraw/zinc/92/61/61/1379926161.db2.gz UVVXBEJYCBUYEZ-OJECNVDMSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](CC/C=C\c1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152392806 1379926162 /nfs/dbraw/zinc/92/61/62/1379926162.db2.gz UVVXBEJYCBUYEZ-OJECNVDMSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](CC/C=C\c1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152392806 1379926163 /nfs/dbraw/zinc/92/61/63/1379926163.db2.gz UVVXBEJYCBUYEZ-OJECNVDMSA-N 2 1 343.515 3.011 20 0 EGADMP CC1CC(C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C)C1 ZINC001284629729 1380032854 /nfs/dbraw/zinc/03/28/54/1380032854.db2.gz GBILTLPEKOOEMR-OFLPRAFFSA-N 2 1 339.568 3.131 20 0 EGADMP C[C@H](C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)[NH+]1CCCCCC1 ZINC001153447810 1380079292 /nfs/dbraw/zinc/07/92/92/1380079292.db2.gz LPOKFNPNOCFIGB-GOSISDBHSA-N 2 1 345.531 3.278 20 0 EGADMP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153819345 1380136973 /nfs/dbraw/zinc/13/69/73/1380136973.db2.gz XGWYSABGYIJWAS-AEFFLSMTSA-N 2 1 344.503 3.088 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153819345 1380136975 /nfs/dbraw/zinc/13/69/75/1380136975.db2.gz XGWYSABGYIJWAS-AEFFLSMTSA-N 2 1 344.503 3.088 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854680 1380144337 /nfs/dbraw/zinc/14/43/37/1380144337.db2.gz PPYOCJSPFOTVDW-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCCC(C)(C)C)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153854680 1380144338 /nfs/dbraw/zinc/14/43/38/1380144338.db2.gz PPYOCJSPFOTVDW-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCCC(C)(C)C)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153854680 1380144339 /nfs/dbraw/zinc/14/43/39/1380144339.db2.gz PPYOCJSPFOTVDW-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](C)CC(C)C ZINC001154069596 1380197898 /nfs/dbraw/zinc/19/78/98/1380197898.db2.gz HUCDNUDBFMWHNR-IAGOWNOFSA-N 2 1 327.557 3.226 20 0 EGADMP CC[NH+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154069596 1380197902 /nfs/dbraw/zinc/19/79/02/1380197902.db2.gz HUCDNUDBFMWHNR-IAGOWNOFSA-N 2 1 327.557 3.226 20 0 EGADMP CC[NH+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154069596 1380197906 /nfs/dbraw/zinc/19/79/06/1380197906.db2.gz HUCDNUDBFMWHNR-IAGOWNOFSA-N 2 1 327.557 3.226 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154122754 1380212284 /nfs/dbraw/zinc/21/22/84/1380212284.db2.gz JKECQANNHWIJEI-JCMVTEASSA-N 2 1 337.552 3.290 20 0 EGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001154122754 1380212285 /nfs/dbraw/zinc/21/22/85/1380212285.db2.gz JKECQANNHWIJEI-JCMVTEASSA-N 2 1 337.552 3.290 20 0 EGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001154122754 1380212286 /nfs/dbraw/zinc/21/22/86/1380212286.db2.gz JKECQANNHWIJEI-JCMVTEASSA-N 2 1 337.552 3.290 20 0 EGADMP CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154474203 1380285110 /nfs/dbraw/zinc/28/51/10/1380285110.db2.gz WOGHPKCPYFGUAB-GOSISDBHSA-N 2 1 345.531 3.278 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154480651 1380285615 /nfs/dbraw/zinc/28/56/15/1380285615.db2.gz CQVCFZANYDFLNW-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154579835 1380309274 /nfs/dbraw/zinc/30/92/74/1380309274.db2.gz HHBDZXUYZOGKBU-GOSISDBHSA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](CC/C=C/c1ccccc1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904201 1380374732 /nfs/dbraw/zinc/37/47/32/1380374732.db2.gz PBKHYDIRNUQDGF-CECLQJIQSA-N 2 1 345.531 3.258 20 0 EGADMP CC[N@@H+](Cc1cccc2ccccc21)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999114 1380388050 /nfs/dbraw/zinc/38/80/50/1380388050.db2.gz CSPUBJDFLVDFPO-QGZVFWFLSA-N 2 1 341.499 3.118 20 0 EGADMP CC[N@@H+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155067384 1380402605 /nfs/dbraw/zinc/40/26/05/1380402605.db2.gz YKDZSFGARUXOLH-VPSPJNPGSA-N 2 1 345.531 3.113 20 0 EGADMP C[N@@H+](Cc1ccc(N2CC[NH+]3CCc4ccccc4[C@@H]3C2)nc1)C1CC1 ZINC001155103048 1380409002 /nfs/dbraw/zinc/40/90/02/1380409002.db2.gz IPGZBWWLUQJPQO-NRFANRHFSA-N 2 1 348.494 3.095 20 0 EGADMP C[NH+](Cc1ccc(N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)nc1)C1CC1 ZINC001155103048 1380409003 /nfs/dbraw/zinc/40/90/03/1380409003.db2.gz IPGZBWWLUQJPQO-NRFANRHFSA-N 2 1 348.494 3.095 20 0 EGADMP C[NH+](Cc1ccc(N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)nc1)C1CC1 ZINC001155103048 1380409004 /nfs/dbraw/zinc/40/90/04/1380409004.db2.gz IPGZBWWLUQJPQO-NRFANRHFSA-N 2 1 348.494 3.095 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC2(CC2)CC1)[NH+](C)C ZINC001155289397 1380433992 /nfs/dbraw/zinc/43/39/92/1380433992.db2.gz QHYXOYIUQRXRBC-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP COc1ccc2cc[nH+]c(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)c2c1 ZINC001155384203 1380444059 /nfs/dbraw/zinc/44/40/59/1380444059.db2.gz ONXKUXZAXMNDLA-KRWDZBQOSA-N 2 1 341.455 3.204 20 0 EGADMP CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559483 1380468512 /nfs/dbraw/zinc/46/85/12/1380468512.db2.gz QYIUOCYMYSFRMW-QGZVFWFLSA-N 2 1 342.487 3.033 20 0 EGADMP CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559483 1380468513 /nfs/dbraw/zinc/46/85/13/1380468513.db2.gz QYIUOCYMYSFRMW-QGZVFWFLSA-N 2 1 342.487 3.033 20 0 EGADMP COc1ccc2c(C)cc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)[nH+]c2c1 ZINC001155597281 1380471710 /nfs/dbraw/zinc/47/17/10/1380471710.db2.gz LGPUHZQGURNZIY-QRWLVFNGSA-N 2 1 341.455 3.122 20 0 EGADMP CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155606830 1380472780 /nfs/dbraw/zinc/47/27/80/1380472780.db2.gz AFFPGPDIXSKMJO-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155606830 1380472782 /nfs/dbraw/zinc/47/27/82/1380472782.db2.gz AFFPGPDIXSKMJO-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001155620403 1380474920 /nfs/dbraw/zinc/47/49/20/1380474920.db2.gz GQLGOLYAOXJXRM-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C)c1ccc(C(C)(C)C)cc1 ZINC001155811890 1380494296 /nfs/dbraw/zinc/49/42/96/1380494296.db2.gz LIAZCVYRYCMJLQ-APWZRJJASA-N 2 1 345.531 3.235 20 0 EGADMP CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)C1 ZINC001155917840 1380505238 /nfs/dbraw/zinc/50/52/38/1380505238.db2.gz VNMWDFZQFWQOKA-CQSZACIVSA-N 2 1 337.895 3.462 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)C1 ZINC001155917840 1380505239 /nfs/dbraw/zinc/50/52/39/1380505239.db2.gz VNMWDFZQFWQOKA-CQSZACIVSA-N 2 1 337.895 3.462 20 0 EGADMP CC[NH+](Cc1ccccc1Cl)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156194786 1380539956 /nfs/dbraw/zinc/53/99/56/1380539956.db2.gz WBCHEIZZXQTSCD-OAHLLOKOSA-N 2 1 339.911 3.008 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1Cl ZINC001156194786 1380539957 /nfs/dbraw/zinc/53/99/57/1380539957.db2.gz WBCHEIZZXQTSCD-OAHLLOKOSA-N 2 1 339.911 3.008 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1Cl ZINC001156194786 1380539959 /nfs/dbraw/zinc/53/99/59/1380539959.db2.gz WBCHEIZZXQTSCD-OAHLLOKOSA-N 2 1 339.911 3.008 20 0 EGADMP CC[N@@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374771 1380566717 /nfs/dbraw/zinc/56/67/17/1380566717.db2.gz WYZNFJHMSKRHAB-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156374771 1380566718 /nfs/dbraw/zinc/56/67/18/1380566718.db2.gz WYZNFJHMSKRHAB-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156374771 1380566720 /nfs/dbraw/zinc/56/67/20/1380566720.db2.gz WYZNFJHMSKRHAB-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@@H+]1CCC[C@@H](CCNc2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001156387510 1380569360 /nfs/dbraw/zinc/56/93/60/1380569360.db2.gz GBWXTUOUJKVTEH-HNNXBMFYSA-N 2 1 336.911 3.475 20 0 EGADMP C[N@H+]1CCC[C@@H](CCNc2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001156387510 1380569362 /nfs/dbraw/zinc/56/93/62/1380569362.db2.gz GBWXTUOUJKVTEH-HNNXBMFYSA-N 2 1 336.911 3.475 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092113 1380774199 /nfs/dbraw/zinc/77/41/99/1380774199.db2.gz LMHJXEBCJMRVFX-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157132205 1380783367 /nfs/dbraw/zinc/78/33/67/1380783367.db2.gz FLKSACFDAOYNCN-ZZHWGSSASA-N 2 1 345.531 3.472 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157132205 1380783370 /nfs/dbraw/zinc/78/33/70/1380783370.db2.gz FLKSACFDAOYNCN-ZZHWGSSASA-N 2 1 345.531 3.472 20 0 EGADMP Cc1cc(C)c(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001157887878 1381061114 /nfs/dbraw/zinc/06/11/14/1381061114.db2.gz ZNKKEKSOGBKBTD-FQEVSTJZSA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001157893810 1381064317 /nfs/dbraw/zinc/06/43/17/1381064317.db2.gz NGPQLTXEPLCIFP-FQEVSTJZSA-N 2 1 343.515 3.033 20 0 EGADMP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001158062114 1381117666 /nfs/dbraw/zinc/11/76/66/1381117666.db2.gz ZVSLTJMIBAFFOU-MSOLQXFVSA-N 2 1 346.519 3.264 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001158062114 1381117667 /nfs/dbraw/zinc/11/76/67/1381117667.db2.gz ZVSLTJMIBAFFOU-MSOLQXFVSA-N 2 1 346.519 3.264 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CCCC1CCC1 ZINC001328254580 1388700429 /nfs/dbraw/zinc/70/04/29/1388700429.db2.gz DZDXZXKMYBCWJP-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC001158355027 1381214444 /nfs/dbraw/zinc/21/44/44/1381214444.db2.gz LXJMRNNUXUQPIB-SJORKVTESA-N 2 1 342.487 3.254 20 0 EGADMP C[C@@H](c1ccccc1F)[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158437843 1381246999 /nfs/dbraw/zinc/24/69/99/1381246999.db2.gz GLNLOIJBXUOHQI-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158449604 1381249243 /nfs/dbraw/zinc/24/92/43/1381249243.db2.gz CZINTUZHBQHYSK-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCCF)cc1 ZINC001158605187 1381316924 /nfs/dbraw/zinc/31/69/24/1381316924.db2.gz OZWGNQQFJPEEER-LJQANCHMSA-N 2 1 349.494 3.034 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001158704355 1381360907 /nfs/dbraw/zinc/36/09/07/1381360907.db2.gz KMZSHBPTHWOCSK-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001158704355 1381360911 /nfs/dbraw/zinc/36/09/11/1381360911.db2.gz KMZSHBPTHWOCSK-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001158704355 1381360920 /nfs/dbraw/zinc/36/09/20/1381360920.db2.gz KMZSHBPTHWOCSK-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CCCC(C)(C)C ZINC001158787192 1381399664 /nfs/dbraw/zinc/39/96/64/1381399664.db2.gz MRYONGIVHFUNIC-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC(C)(C)C ZINC001158787192 1381399671 /nfs/dbraw/zinc/39/96/71/1381399671.db2.gz MRYONGIVHFUNIC-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001158787192 1381399675 /nfs/dbraw/zinc/39/96/75/1381399675.db2.gz MRYONGIVHFUNIC-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP Cc1[nH]c2nc[nH+]c(N3CCC4(CC3)[NH2+]CCc3ccccc34)c2c1C ZINC001159010801 1381510534 /nfs/dbraw/zinc/51/05/34/1381510534.db2.gz OWBGZJLAWZTINI-UHFFFAOYSA-N 2 1 347.466 3.216 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001159628449 1381852468 /nfs/dbraw/zinc/85/24/68/1381852468.db2.gz JGJMNYILQIWRFZ-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001159628449 1381852472 /nfs/dbraw/zinc/85/24/72/1381852472.db2.gz JGJMNYILQIWRFZ-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001159628449 1381852481 /nfs/dbraw/zinc/85/24/81/1381852481.db2.gz JGJMNYILQIWRFZ-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP CC1CCC(C[N@@H+]2CC=C(CCNC(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001159628380 1381852740 /nfs/dbraw/zinc/85/27/40/1381852740.db2.gz HHJYLJDIBAMOCM-LYBXBRPPSA-N 2 1 347.547 3.045 20 0 EGADMP CC1CCC(C[NH+]2CC=C(CCNC(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001159628380 1381852744 /nfs/dbraw/zinc/85/27/44/1381852744.db2.gz HHJYLJDIBAMOCM-LYBXBRPPSA-N 2 1 347.547 3.045 20 0 EGADMP CC1CCC(C[NH+]2CC=C(CCNC(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001159628380 1381852757 /nfs/dbraw/zinc/85/27/57/1381852757.db2.gz HHJYLJDIBAMOCM-LYBXBRPPSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC001159823241 1381911963 /nfs/dbraw/zinc/91/19/63/1381911963.db2.gz VYMDNGRFRUJOQY-WOJBJXKFSA-N 2 1 345.531 3.212 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CCCC2CCCC2)C1 ZINC001159837506 1381916941 /nfs/dbraw/zinc/91/69/41/1381916941.db2.gz FERZQNJJSCPAAB-LJQANCHMSA-N 2 1 337.552 3.031 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001159900865 1381932777 /nfs/dbraw/zinc/93/27/77/1381932777.db2.gz BCMYHGSPZZQBCE-LJQANCHMSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC001159909220 1381933964 /nfs/dbraw/zinc/93/39/64/1381933964.db2.gz LMIZJZJZVVKKOP-SJORKVTESA-N 2 1 349.494 3.246 20 0 EGADMP [NH3+][C@H]1CCCN(c2ccc(Nc3cc[nH+]cc3C(F)(F)F)cc2)C1 ZINC001159986068 1381959375 /nfs/dbraw/zinc/95/93/75/1381959375.db2.gz FJRCYGHKMXLTOP-LBPRGKRZSA-N 2 1 336.361 3.193 20 0 EGADMP Cc1[nH]c2ccc(Nc3c(F)cccc3O[C@@H]3CC[NH2+]C3)cc2[nH+]1 ZINC001160129020 1382006542 /nfs/dbraw/zinc/00/65/42/1382006542.db2.gz ALQAKJLQDJXGIL-CYBMUJFWSA-N 2 1 326.375 3.495 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC1=CC[NH+](CC2CCC2)CC1 ZINC001160360336 1382082163 /nfs/dbraw/zinc/08/21/63/1382082163.db2.gz PINIZMSBCIMDEO-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NCCC1=CC[N@H+](CC2CCC2)CC1 ZINC001160360336 1382082168 /nfs/dbraw/zinc/08/21/68/1382082168.db2.gz PINIZMSBCIMDEO-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001160360336 1382082173 /nfs/dbraw/zinc/08/21/73/1382082173.db2.gz PINIZMSBCIMDEO-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160399609 1382093442 /nfs/dbraw/zinc/09/34/42/1382093442.db2.gz BPVONXQHKHGJAY-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001160399609 1382093448 /nfs/dbraw/zinc/09/34/48/1382093448.db2.gz BPVONXQHKHGJAY-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001160399609 1382093455 /nfs/dbraw/zinc/09/34/55/1382093455.db2.gz BPVONXQHKHGJAY-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2=CCCCC2)CC1 ZINC001160500115 1382124034 /nfs/dbraw/zinc/12/40/34/1382124034.db2.gz LEPZIZIINXQRBE-HXUWFJFHSA-N 2 1 345.531 3.110 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC2=CCCCC2)CC1 ZINC001160500115 1382124038 /nfs/dbraw/zinc/12/40/38/1382124038.db2.gz LEPZIZIINXQRBE-HXUWFJFHSA-N 2 1 345.531 3.110 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC2=CCCCC2)CC1 ZINC001160500115 1382124042 /nfs/dbraw/zinc/12/40/42/1382124042.db2.gz LEPZIZIINXQRBE-HXUWFJFHSA-N 2 1 345.531 3.110 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1=CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001160519298 1382130512 /nfs/dbraw/zinc/13/05/12/1382130512.db2.gz ZUIFWDAQBXGNBZ-UHFFFAOYSA-N 2 1 349.563 3.291 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCCC1=CC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001160519298 1382130516 /nfs/dbraw/zinc/13/05/16/1382130516.db2.gz ZUIFWDAQBXGNBZ-UHFFFAOYSA-N 2 1 349.563 3.291 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCCC1=CC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001160519298 1382130521 /nfs/dbraw/zinc/13/05/21/1382130521.db2.gz ZUIFWDAQBXGNBZ-UHFFFAOYSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CCC2)CC1 ZINC001160567615 1382144476 /nfs/dbraw/zinc/14/44/76/1382144476.db2.gz HCIWDBQLCZIQOM-FQEVSTJZSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2CCC2)CC1 ZINC001160567615 1382144478 /nfs/dbraw/zinc/14/44/78/1382144478.db2.gz HCIWDBQLCZIQOM-FQEVSTJZSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001160567615 1382144482 /nfs/dbraw/zinc/14/44/82/1382144482.db2.gz HCIWDBQLCZIQOM-FQEVSTJZSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160804425 1382201846 /nfs/dbraw/zinc/20/18/46/1382201846.db2.gz KPVHUAPLOWEJBB-SFHVURJKSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC2=CC[NH+](CCC(C)C)CC2)C1 ZINC001160985817 1382261882 /nfs/dbraw/zinc/26/18/82/1382261882.db2.gz KHJWCPIKTYYEFT-FQEVSTJZSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCCC2=CC[N@H+](CCC(C)C)CC2)C1 ZINC001160985817 1382261886 /nfs/dbraw/zinc/26/18/86/1382261886.db2.gz KHJWCPIKTYYEFT-FQEVSTJZSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCCC2=CC[N@@H+](CCC(C)C)CC2)C1 ZINC001160985817 1382261889 /nfs/dbraw/zinc/26/18/89/1382261889.db2.gz KHJWCPIKTYYEFT-FQEVSTJZSA-N 2 1 349.563 3.293 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161030363 1382278144 /nfs/dbraw/zinc/27/81/44/1382278144.db2.gz ZVNPEZDUXMMIIS-VOTSOKGWSA-N 2 1 335.536 3.213 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001161041632 1382280286 /nfs/dbraw/zinc/28/02/86/1382280286.db2.gz KRVAHNHCXIZAON-FQEVSTJZSA-N 2 1 343.515 3.034 20 0 EGADMP COc1ccc(F)cc1C[NH+]1CCC(Nc2cc(N)c(C)c[nH+]2)CC1 ZINC001161152818 1382318137 /nfs/dbraw/zinc/31/81/37/1382318137.db2.gz IOWOCKCUVNWYPK-UHFFFAOYSA-N 2 1 344.434 3.196 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001161226796 1382348996 /nfs/dbraw/zinc/34/89/96/1382348996.db2.gz OWYPBIIJALUOOJ-SFHVURJKSA-N 2 1 349.494 3.029 20 0 EGADMP CC[C@@H](C(=O)NCCC1=CC[N@@H+](CCCC2CCC2)CC1)[NH+](C)C ZINC001161239796 1382351926 /nfs/dbraw/zinc/35/19/26/1382351926.db2.gz ONFNFROERQJTRN-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001161245782 1382353461 /nfs/dbraw/zinc/35/34/61/1382353461.db2.gz RWWHQZHMGTXZPJ-CQSZACIVSA-N 2 1 339.911 3.227 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C(=O)N(C(C)C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC001161353341 1382380028 /nfs/dbraw/zinc/38/00/28/1382380028.db2.gz OEDOVSXRLRFAPC-VQTJNVASSA-N 2 1 345.531 3.449 20 0 EGADMP CC[NH+](CC)CC(=O)NCCC1=CC[N@@H+](Cc2csc(C)c2)CC1 ZINC001161504826 1382425680 /nfs/dbraw/zinc/42/56/80/1382425680.db2.gz TUGFEONYYFMKGO-UHFFFAOYSA-N 2 1 349.544 3.037 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001161645980 1382469501 /nfs/dbraw/zinc/46/95/01/1382469501.db2.gz XJPVMKSUKIJWER-SFHVURJKSA-N 2 1 337.552 3.149 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@H+](C[C@@H](C)CC(C)C)CC1 ZINC001161645980 1382469504 /nfs/dbraw/zinc/46/95/04/1382469504.db2.gz XJPVMKSUKIJWER-SFHVURJKSA-N 2 1 337.552 3.149 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](C[C@@H](C)CC(C)C)CC1 ZINC001161645980 1382469507 /nfs/dbraw/zinc/46/95/07/1382469507.db2.gz XJPVMKSUKIJWER-SFHVURJKSA-N 2 1 337.552 3.149 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1=CC[NH+](CCCC2CCC2)CC1 ZINC001161758494 1382496790 /nfs/dbraw/zinc/49/67/90/1382496790.db2.gz CGNFNLJDSKGDSY-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@H+](CCCC2CCC2)CC1 ZINC001161758494 1382496792 /nfs/dbraw/zinc/49/67/92/1382496792.db2.gz CGNFNLJDSKGDSY-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001161758494 1382496794 /nfs/dbraw/zinc/49/67/94/1382496794.db2.gz CGNFNLJDSKGDSY-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CCCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001328588842 1388784395 /nfs/dbraw/zinc/78/43/95/1388784395.db2.gz MIZUAVIWAHQNEU-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001328588842 1388784397 /nfs/dbraw/zinc/78/43/97/1388784397.db2.gz MIZUAVIWAHQNEU-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001328588842 1388784399 /nfs/dbraw/zinc/78/43/99/1388784399.db2.gz MIZUAVIWAHQNEU-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)NCCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001161894152 1382542947 /nfs/dbraw/zinc/54/29/47/1382542947.db2.gz YNIRIMMLSMBJOQ-UHFFFAOYSA-N 2 1 347.547 3.191 20 0 EGADMP COC(=O)Cc1cc(N(CC[NH3+])c2cccc3ccccc32)cc[nH+]1 ZINC001162007738 1382598915 /nfs/dbraw/zinc/59/89/15/1382598915.db2.gz PWURQNVKKZSKDC-UHFFFAOYSA-N 2 1 335.407 3.047 20 0 EGADMP CC(C)C[C@H](CO)Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001162368097 1382741426 /nfs/dbraw/zinc/74/14/26/1382741426.db2.gz CGBRNIAORCLHIS-SJORKVTESA-N 2 1 330.476 3.170 20 0 EGADMP Cc1ccc2c(c1)[C@@H](Nc1cc[nH+]c(N(C)C)n1)CC21CC[NH2+]CC1 ZINC001163023230 1382950247 /nfs/dbraw/zinc/95/02/47/1382950247.db2.gz ACCRJFNZWQPJAF-KRWDZBQOSA-N 2 1 337.471 3.029 20 0 EGADMP Cc1ccc2c(c1)[C@@H](Nc1nc3[nH]ccc3c[nH+]1)CC21CC[NH2+]CC1 ZINC001163023418 1382950527 /nfs/dbraw/zinc/95/05/27/1382950527.db2.gz FWGOJINRWVKBGB-KRWDZBQOSA-N 2 1 333.439 3.396 20 0 EGADMP c1cc2n(c1)C[C@H](CCNc1[nH+]ccc3c4c([nH]c31)CCCC4)C[NH2+]C2 ZINC001163058293 1382957630 /nfs/dbraw/zinc/95/76/30/1382957630.db2.gz XMZVIGBSRVHXSS-OAHLLOKOSA-N 2 1 349.482 3.465 20 0 EGADMP CCC(CC)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164500969 1383193938 /nfs/dbraw/zinc/19/39/38/1383193938.db2.gz MGOLNWXWKFQRJX-LJQANCHMSA-N 2 1 337.552 3.316 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531955 1383196994 /nfs/dbraw/zinc/19/69/94/1383196994.db2.gz YAMXUYSGIBTHRG-DUFJLWIISA-N 2 1 347.547 3.093 20 0 EGADMP Cc1cnc(N(C)[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)c(C[NH3+])c1 ZINC001165182051 1383243142 /nfs/dbraw/zinc/24/31/42/1383243142.db2.gz LLBNSTHXXIYLCG-XLIONFOSSA-N 2 1 338.499 3.196 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165471858 1383299915 /nfs/dbraw/zinc/29/99/15/1383299915.db2.gz BYQUYSPCSJKPLM-SFHVURJKSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1 ZINC001165472041 1383299972 /nfs/dbraw/zinc/29/99/72/1383299972.db2.gz FANFNLBYVUSCNN-CTWPCTMYSA-N 2 1 349.563 3.172 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165485377 1383301557 /nfs/dbraw/zinc/30/15/57/1383301557.db2.gz TYGVDQJHLGCGEZ-IBGZPJMESA-N 2 1 349.563 3.460 20 0 EGADMP CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165485175 1383301898 /nfs/dbraw/zinc/30/18/98/1383301898.db2.gz OCOLAMPEAMOVMY-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP CCC/C=C\CC[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001165569271 1383311407 /nfs/dbraw/zinc/31/14/07/1383311407.db2.gz UWIYYBUCAHSSFM-VOFKWLDRSA-N 2 1 349.563 3.483 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165735549 1383334989 /nfs/dbraw/zinc/33/49/89/1383334989.db2.gz CPAQADDGAVMQKS-MSOLQXFVSA-N 2 1 335.536 3.070 20 0 EGADMP CC(C)=CC[NH2+]CC1(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001166390900 1383418237 /nfs/dbraw/zinc/41/82/37/1383418237.db2.gz QKPFUPMIUMBYBU-UHFFFAOYSA-N 2 1 349.563 3.483 20 0 EGADMP C[N@@H+](CC(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21)CC(C)(C)C ZINC001166750325 1383471274 /nfs/dbraw/zinc/47/12/74/1383471274.db2.gz CUAGJRQXHIYVJL-LJQANCHMSA-N 2 1 345.531 3.138 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001166751433 1383471397 /nfs/dbraw/zinc/47/13/97/1383471397.db2.gz RHPPYMZIRJASDY-MSOLQXFVSA-N 2 1 339.568 3.277 20 0 EGADMP C[C@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001166751436 1383471586 /nfs/dbraw/zinc/47/15/86/1383471586.db2.gz RHPPYMZIRJASDY-ROUUACIJSA-N 2 1 339.568 3.277 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC2(C[NH2+]C[C@@H](C)CC)CC2)C1 ZINC001166793257 1383478142 /nfs/dbraw/zinc/47/81/42/1383478142.db2.gz HDIFYWJVLAYWAN-ROUUACIJSA-N 2 1 337.552 3.031 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001328782126 1388859882 /nfs/dbraw/zinc/85/98/82/1388859882.db2.gz WYHPOJIKDFGUIQ-XLIONFOSSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001167826451 1383750525 /nfs/dbraw/zinc/75/05/25/1383750525.db2.gz YLHZOJBYQRQGKC-QGZVFWFLSA-N 3 1 332.536 3.439 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC001167833552 1383752945 /nfs/dbraw/zinc/75/29/45/1383752945.db2.gz CGGJFHJNTADTJX-UYAOXDASSA-N 2 1 334.504 3.277 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001167833335 1383753518 /nfs/dbraw/zinc/75/35/18/1383753518.db2.gz AMAXMNLFSLYHQS-GBESFXJTSA-N 2 1 327.532 3.395 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001167833335 1383753524 /nfs/dbraw/zinc/75/35/24/1383753524.db2.gz AMAXMNLFSLYHQS-GBESFXJTSA-N 2 1 327.532 3.395 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001167840112 1383755661 /nfs/dbraw/zinc/75/56/61/1383755661.db2.gz DUVCSNDNKNKEHU-YESZJQIVSA-N 2 1 339.524 3.048 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001167842804 1383756800 /nfs/dbraw/zinc/75/68/00/1383756800.db2.gz YYOAMXMNOAELJX-CVEARBPZSA-N 2 1 327.513 3.396 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001167842804 1383756803 /nfs/dbraw/zinc/75/68/03/1383756803.db2.gz YYOAMXMNOAELJX-CVEARBPZSA-N 2 1 327.513 3.396 20 0 EGADMP COC(=O)c1ccc(C[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001167918990 1383769800 /nfs/dbraw/zinc/76/98/00/1383769800.db2.gz PSVVNMZIUCDSDT-JSYLVRCQSA-N 2 1 342.483 3.344 20 0 EGADMP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001302916583 1383773061 /nfs/dbraw/zinc/77/30/61/1383773061.db2.gz PDPMCIODLYVSBC-SFHVURJKSA-N 2 1 329.488 3.484 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001302916583 1383773066 /nfs/dbraw/zinc/77/30/66/1383773066.db2.gz PDPMCIODLYVSBC-SFHVURJKSA-N 2 1 329.488 3.484 20 0 EGADMP COc1ccc(OC)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167959027 1383778986 /nfs/dbraw/zinc/77/89/86/1383778986.db2.gz NFQOFJOOQZHWFN-AYHJJNSGSA-N 2 1 330.472 3.199 20 0 EGADMP COc1ccc(OC)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167959027 1383778989 /nfs/dbraw/zinc/77/89/89/1383778989.db2.gz NFQOFJOOQZHWFN-AYHJJNSGSA-N 2 1 330.472 3.199 20 0 EGADMP Oc1ccc2c(c1)C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167970964 1383782699 /nfs/dbraw/zinc/78/26/99/1383782699.db2.gz QZJSSJKXEJRXFH-UMQXSMKFSA-N 2 1 326.484 3.245 20 0 EGADMP CC(C)(C)C(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167972905 1383782705 /nfs/dbraw/zinc/78/27/05/1383782705.db2.gz DVHOMFWLBSVMOM-YQQQUEKLSA-N 2 1 347.547 3.019 20 0 EGADMP O[C@H]1c2ccccc2CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969048 1383782861 /nfs/dbraw/zinc/78/28/61/1383782861.db2.gz YUDPVSCBIWNJRM-XCZPKYGJSA-N 2 1 326.484 3.030 20 0 EGADMP [NH3+]C1(c2ccccc2)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167979209 1383785315 /nfs/dbraw/zinc/78/53/15/1383785315.db2.gz XYNNZGKQDTWMCT-WCRBZPEASA-N 2 1 339.527 3.342 20 0 EGADMP c1cc(OC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)ccn1 ZINC001167983325 1383786802 /nfs/dbraw/zinc/78/68/02/1383786802.db2.gz FWEUUOMENDVOGR-DFNIBXOVSA-N 2 1 341.499 3.330 20 0 EGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(N1CC[NH+](CC3CCCC3)CC1)C2 ZINC001167995897 1383791831 /nfs/dbraw/zinc/79/18/31/1383791831.db2.gz UYGLJETUOQZNBT-WCRBZPEASA-N 2 1 331.548 3.200 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168030082 1383800384 /nfs/dbraw/zinc/80/03/84/1383800384.db2.gz MOUIJPCYJNNEPU-WOJBJXKFSA-N 2 1 349.563 3.460 20 0 EGADMP C[C@@H]1C[C@@H](N2CCC[C@H]([NH+](C)C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168055849 1383805131 /nfs/dbraw/zinc/80/51/31/1383805131.db2.gz YCJXRRJFDCELOT-YHELAOLJSA-N 2 1 329.532 3.454 20 0 EGADMP CCOC(=O)[C@@H]1CC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168061556 1383806652 /nfs/dbraw/zinc/80/66/52/1383806652.db2.gz IRRRZGSTSZRXQI-ZHALLVOQSA-N 2 1 344.499 3.313 20 0 EGADMP CN(C)Cc1ccc(CSCC[NH2+]C2CCC([NH+](C)C)CC2)o1 ZINC001168290243 1383864263 /nfs/dbraw/zinc/86/42/63/1383864263.db2.gz GOLBVMKKLXJQJC-UHFFFAOYSA-N 2 1 339.549 3.037 20 0 EGADMP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168324622 1383873047 /nfs/dbraw/zinc/87/30/47/1383873047.db2.gz RSPZMZKCDHLSPQ-GTPINHCMSA-N 2 1 339.524 3.191 20 0 EGADMP CC[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001168324520 1383873484 /nfs/dbraw/zinc/87/34/84/1383873484.db2.gz QJUWUNZLCPQYMW-GTPINHCMSA-N 2 1 339.524 3.191 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC1(C[NH2+]CC2CCC(C)CC2)CC1 ZINC001168344513 1383878932 /nfs/dbraw/zinc/87/89/32/1383878932.db2.gz DEQIJFVQUCNOTC-UHFFFAOYSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C(=O)Nc1ccc(F)cc1 ZINC001168365678 1383884191 /nfs/dbraw/zinc/88/41/91/1383884191.db2.gz DIGPTLQGRHGVDH-IBGZPJMESA-N 2 1 347.478 3.253 20 0 EGADMP C(C1CC1)[N@H+]1CCCC12CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168377787 1383888932 /nfs/dbraw/zinc/88/89/32/1383888932.db2.gz HUJGYPSHZUZJRE-UHFFFAOYSA-N 2 1 331.548 3.201 20 0 EGADMP COc1ccccc1O[C@H]1CC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387712 1383891966 /nfs/dbraw/zinc/89/19/66/1383891966.db2.gz QVLXNSOVDWYNAQ-SFHVURJKSA-N 2 1 330.472 3.023 20 0 EGADMP COc1ccccc1O[C@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387712 1383891969 /nfs/dbraw/zinc/89/19/69/1383891969.db2.gz QVLXNSOVDWYNAQ-SFHVURJKSA-N 2 1 330.472 3.023 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]3CN(C4CC[NH+](CC5CC5)CC4)C[C@@H]32)cc1 ZINC001168391698 1383894134 /nfs/dbraw/zinc/89/41/34/1383894134.db2.gz NOEIMDZNPMUEFC-UNMCSNQZSA-N 2 1 339.527 3.067 20 0 EGADMP c1ccc(CN2CC[C@H]3C[N@@H+](C4CC[NH+](CC5CC5)CC4)C[C@@H]32)cc1 ZINC001168391698 1383894137 /nfs/dbraw/zinc/89/41/37/1383894137.db2.gz NOEIMDZNPMUEFC-UNMCSNQZSA-N 2 1 339.527 3.067 20 0 EGADMP c1ccc(CN2CC[C@H]3C[N@H+](C4CC[NH+](CC5CC5)CC4)C[C@@H]32)cc1 ZINC001168391698 1383894141 /nfs/dbraw/zinc/89/41/41/1383894141.db2.gz NOEIMDZNPMUEFC-UNMCSNQZSA-N 2 1 339.527 3.067 20 0 EGADMP C[N@H+](C1CCOCC1)C1CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168440603 1383907063 /nfs/dbraw/zinc/90/70/63/1383907063.db2.gz JWMNGMQHPTXFFN-OAQYLSRUSA-N 2 1 346.490 3.258 20 0 EGADMP C[N@@H+](C1CCOCC1)C1CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168440603 1383907069 /nfs/dbraw/zinc/90/70/69/1383907069.db2.gz JWMNGMQHPTXFFN-OAQYLSRUSA-N 2 1 346.490 3.258 20 0 EGADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCO[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001168673501 1383966443 /nfs/dbraw/zinc/96/64/43/1383966443.db2.gz RPUACICXIIZLMV-QUCCMNQESA-N 2 1 332.488 3.331 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCc1cncc(C(F)(F)F)c1)C2 ZINC001169077919 1384103629 /nfs/dbraw/zinc/10/36/29/1384103629.db2.gz BQQFLHODWBPNAI-MUJYYYPQSA-N 2 1 327.394 3.248 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C2 ZINC001169081265 1384104062 /nfs/dbraw/zinc/10/40/62/1384104062.db2.gz PMZLEKCRXAWYCV-NNXHMXCWSA-N 2 1 337.508 3.037 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccnc(NC(=O)OC(C)(C)C)c1)C2 ZINC001169090226 1384105330 /nfs/dbraw/zinc/10/53/30/1384105330.db2.gz IUIXWCDAVOJCPQ-PHZGNYQRSA-N 2 1 346.475 3.143 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccnc(NC(=O)OC(C)(C)C)c1)C2 ZINC001169090226 1384105331 /nfs/dbraw/zinc/10/53/31/1384105331.db2.gz IUIXWCDAVOJCPQ-PHZGNYQRSA-N 2 1 346.475 3.143 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC001169091180 1384105413 /nfs/dbraw/zinc/10/54/13/1384105413.db2.gz OXUBBIYHNBLJFJ-MLZLACJZSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001169091180 1384105414 /nfs/dbraw/zinc/10/54/14/1384105414.db2.gz OXUBBIYHNBLJFJ-MLZLACJZSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001169091180 1384105415 /nfs/dbraw/zinc/10/54/15/1384105415.db2.gz OXUBBIYHNBLJFJ-MLZLACJZSA-N 2 1 327.516 3.254 20 0 EGADMP COc1ccc2c(c1)c(CC[NH3+])c(C)n2[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099549 1384106700 /nfs/dbraw/zinc/10/67/00/1384106700.db2.gz BCTCMUKIAARBJO-MUJYYYPQSA-N 2 1 327.472 3.257 20 0 EGADMP COC(=O)[C@@](C)([NH3+])Cc1cn(-c2cc(C)[nH+]c(C)c2)c2ccccc12 ZINC001169115192 1384108642 /nfs/dbraw/zinc/10/86/42/1384108642.db2.gz OQFKOBMIAGBDKM-FQEVSTJZSA-N 2 1 337.423 3.075 20 0 EGADMP COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001169117295 1384109256 /nfs/dbraw/zinc/10/92/56/1384109256.db2.gz XTTMXAXHTDXICE-BMFAXAFESA-N 2 1 328.456 3.065 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc3nnc(-c4ccccc4)n3c1)C2 ZINC001169116185 1384109427 /nfs/dbraw/zinc/10/94/27/1384109427.db2.gz OQGRTHNFIDIINN-LDLYASANSA-N 2 1 347.466 3.111 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc3nnc(-c4ccccc4)n3c1)C2 ZINC001169116185 1384109428 /nfs/dbraw/zinc/10/94/28/1384109428.db2.gz OQGRTHNFIDIINN-LDLYASANSA-N 2 1 347.466 3.111 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(Cc3ccccc3F)CCOCC1)C2 ZINC001169120184 1384109743 /nfs/dbraw/zinc/10/97/43/1384109743.db2.gz ZFAIUJZUVWTAFI-NNZMDNLPSA-N 2 1 332.463 3.132 20 0 EGADMP CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123016 1384110160 /nfs/dbraw/zinc/11/01/60/1384110160.db2.gz HJAXLDCLTDVGNX-LUKYLMHMSA-N 2 1 339.524 3.141 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169122926 1384110529 /nfs/dbraw/zinc/11/05/29/1384110529.db2.gz GGOWZQSDIQEKJP-LELZANKISA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169122926 1384110530 /nfs/dbraw/zinc/11/05/30/1384110530.db2.gz GGOWZQSDIQEKJP-LELZANKISA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169122926 1384110531 /nfs/dbraw/zinc/11/05/31/1384110531.db2.gz GGOWZQSDIQEKJP-LELZANKISA-N 2 1 327.516 3.112 20 0 EGADMP c1cn2c(cccc2C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC001308231977 1384111121 /nfs/dbraw/zinc/11/11/21/1384111121.db2.gz OBXHZLLSBIHJMA-IBGZPJMESA-N 2 1 334.467 3.336 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169131705 1384111176 /nfs/dbraw/zinc/11/11/76/1384111176.db2.gz XWWCLRASCDHDOI-FVQHAEBGSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169131705 1384111178 /nfs/dbraw/zinc/11/11/78/1384111178.db2.gz XWWCLRASCDHDOI-FVQHAEBGSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169131705 1384111180 /nfs/dbraw/zinc/11/11/80/1384111180.db2.gz XWWCLRASCDHDOI-FVQHAEBGSA-N 2 1 349.519 3.087 20 0 EGADMP CN([C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169155129 1384116337 /nfs/dbraw/zinc/11/63/37/1384116337.db2.gz YIIKUPJAXMWIBL-MHTWAQMVSA-N 2 1 327.516 3.208 20 0 EGADMP CN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155129 1384116339 /nfs/dbraw/zinc/11/63/39/1384116339.db2.gz YIIKUPJAXMWIBL-MHTWAQMVSA-N 2 1 327.516 3.208 20 0 EGADMP CN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155129 1384116341 /nfs/dbraw/zinc/11/63/41/1384116341.db2.gz YIIKUPJAXMWIBL-MHTWAQMVSA-N 2 1 327.516 3.208 20 0 EGADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169162031 1384117373 /nfs/dbraw/zinc/11/73/73/1384117373.db2.gz RRNDZLUFVLLOAI-RDGPPVDQSA-N 2 1 328.456 3.235 20 0 EGADMP COC(=O)c1cccc([C@@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169162031 1384117375 /nfs/dbraw/zinc/11/73/75/1384117375.db2.gz RRNDZLUFVLLOAI-RDGPPVDQSA-N 2 1 328.456 3.235 20 0 EGADMP COC(=O)c1cccc([C@@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169162031 1384117376 /nfs/dbraw/zinc/11/73/76/1384117376.db2.gz RRNDZLUFVLLOAI-RDGPPVDQSA-N 2 1 328.456 3.235 20 0 EGADMP CC[NH+]1CCC([NH2+]C2CCN(Cc3ccc(F)cc3C)CC2)CC1 ZINC001169237906 1384126084 /nfs/dbraw/zinc/12/60/84/1384126084.db2.gz CBIJINMNSRASHB-UHFFFAOYSA-N 2 1 333.495 3.172 20 0 EGADMP CCC[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](CC)CC1 ZINC001169264143 1384129316 /nfs/dbraw/zinc/12/93/16/1384129316.db2.gz IHIOZEPNFOLLCQ-QGZVFWFLSA-N 2 1 339.524 3.192 20 0 EGADMP CCC[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](CC)CC1 ZINC001169264143 1384129317 /nfs/dbraw/zinc/12/93/17/1384129317.db2.gz IHIOZEPNFOLLCQ-QGZVFWFLSA-N 2 1 339.524 3.192 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc2[nH]ccc2c1 ZINC001308739776 1384146052 /nfs/dbraw/zinc/14/60/52/1384146052.db2.gz FDDLZEIKARZEOG-LJQANCHMSA-N 2 1 328.504 3.016 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169808738 1384187817 /nfs/dbraw/zinc/18/78/17/1384187817.db2.gz DLBCNIACSXGYCX-PKOBYXMFSA-N 2 1 349.563 3.316 20 0 EGADMP CC[C@H]1C[C@H]([NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)CCO1 ZINC001170221407 1384268778 /nfs/dbraw/zinc/26/87/78/1384268778.db2.gz ORTKGFQVIBGKJU-UXHICEINSA-N 2 1 343.515 3.327 20 0 EGADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CC[C@@H]4[C@H](CCN4Cc4nccs4)C3)C[C@@H]21 ZINC001170752066 1384379077 /nfs/dbraw/zinc/37/90/77/1384379077.db2.gz UDBMTMTVYNPPOS-OVYGPGRDSA-N 2 1 331.529 3.474 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CC(C)(C)C1 ZINC001170784559 1384384466 /nfs/dbraw/zinc/38/44/66/1384384466.db2.gz ICUXYAPVUDRKKG-SFHVURJKSA-N 2 1 337.552 3.173 20 0 EGADMP COc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCOCC1 ZINC001170800342 1384388403 /nfs/dbraw/zinc/38/84/03/1384388403.db2.gz ZFAFZBAGBFGCOJ-GUDVDZBRSA-N 2 1 332.488 3.336 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861909 1384400830 /nfs/dbraw/zinc/40/08/30/1384400830.db2.gz IASZSKFKSCKRJI-ZHALLVOQSA-N 2 1 349.563 3.172 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)CCCC[NH2+]CC(C)C ZINC001170879264 1384403768 /nfs/dbraw/zinc/40/37/68/1384403768.db2.gz VWFLDSXAAQMRLR-IAGOWNOFSA-N 2 1 336.524 3.317 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001171238894 1384477004 /nfs/dbraw/zinc/47/70/04/1384477004.db2.gz ZBYSRTODFRQSIO-OALUTQOASA-N 2 1 339.568 3.275 20 0 EGADMP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171254811 1384479934 /nfs/dbraw/zinc/47/99/34/1384479934.db2.gz UNYGDMKBYMPHPC-MJRGOJFPSA-N 2 1 337.552 3.482 20 0 EGADMP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171260507 1384481135 /nfs/dbraw/zinc/48/11/35/1384481135.db2.gz JQOKXBLYYCYPPS-KRWDZBQOSA-N 2 1 325.541 3.316 20 0 EGADMP Cc1ccc(-n2c(CC[NH3+])cc3ccccc32)c(C[NH+]2CCOCC2)c1 ZINC001171303847 1384490054 /nfs/dbraw/zinc/49/00/54/1384490054.db2.gz DQJHETXXTAAMDM-UHFFFAOYSA-N 2 1 349.478 3.272 20 0 EGADMP COc1ccc(Cl)c2c1C[C@H]([N@@H+](C)CC1CC[NH+](C)CC1)CC2 ZINC001171324459 1384495174 /nfs/dbraw/zinc/49/51/74/1384495174.db2.gz YVWYVPGHRKJKAZ-OAHLLOKOSA-N 2 1 336.907 3.480 20 0 EGADMP Fc1cc2c(c(F)c1F)C[C@@H](n1c[nH+]cc1C1CC[NH2+]CC1)CC2 ZINC001171543477 1384558226 /nfs/dbraw/zinc/55/82/26/1384558226.db2.gz KKTNCRAGLGWHQD-ZDUSSCGKSA-N 2 1 335.373 3.497 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCC[C@H]2C[NH3+])C[C@H]1C(C)(C)C ZINC001171583409 1384571645 /nfs/dbraw/zinc/57/16/45/1384571645.db2.gz YMMSUMNBFZLTPP-PMPSAXMXSA-N 2 1 339.524 3.224 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCC[C@H]2C[NH3+])C[C@H]1C(C)(C)C ZINC001171583409 1384571651 /nfs/dbraw/zinc/57/16/51/1384571651.db2.gz YMMSUMNBFZLTPP-PMPSAXMXSA-N 2 1 339.524 3.224 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@H]2C[NH3+])C[C@@H]1C(C)(C)C ZINC001171583406 1384571811 /nfs/dbraw/zinc/57/18/11/1384571811.db2.gz YMMSUMNBFZLTPP-HRCADAONSA-N 2 1 339.524 3.224 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCC[C@H]2C[NH3+])C[C@@H]1C(C)(C)C ZINC001171583406 1384571813 /nfs/dbraw/zinc/57/18/13/1384571813.db2.gz YMMSUMNBFZLTPP-HRCADAONSA-N 2 1 339.524 3.224 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@@H]([NH3+])C2)C[C@@H]1C(C)(C)C ZINC001171583148 1384571865 /nfs/dbraw/zinc/57/18/65/1384571865.db2.gz WTLDSZLCROQABE-OWCLPIDISA-N 2 1 339.524 3.224 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCC[C@@H]([NH3+])C2)C[C@@H]1C(C)(C)C ZINC001171583148 1384571868 /nfs/dbraw/zinc/57/18/68/1384571868.db2.gz WTLDSZLCROQABE-OWCLPIDISA-N 2 1 339.524 3.224 20 0 EGADMP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171586261 1384572424 /nfs/dbraw/zinc/57/24/24/1384572424.db2.gz KMROLQQZQMHZTN-FVNWOWOISA-N 2 1 325.541 3.338 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C)c1 ZINC001171586326 1384572528 /nfs/dbraw/zinc/57/25/28/1384572528.db2.gz LRMGIEBGVZNXIU-GOSISDBHSA-N 2 1 347.547 3.490 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC001171731395 1384617466 /nfs/dbraw/zinc/61/74/66/1384617466.db2.gz AINPHKQRZLKPOK-LELZANKISA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171731395 1384617469 /nfs/dbraw/zinc/61/74/69/1384617469.db2.gz AINPHKQRZLKPOK-LELZANKISA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171731395 1384617472 /nfs/dbraw/zinc/61/74/72/1384617472.db2.gz AINPHKQRZLKPOK-LELZANKISA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@H](n2cc(CC[NH3+])c3c[nH+]ccc32)C[N@H+]1Cc1ccccc1 ZINC001171732727 1384617948 /nfs/dbraw/zinc/61/79/48/1384617948.db2.gz DHZGCIVBMDHYFB-APWZRJJASA-N 3 1 334.467 3.373 20 0 EGADMP C[C@@H]1C[C@H](n2cc(CC[NH3+])c3cnccc32)C[N@@H+]1Cc1ccccc1 ZINC001171732727 1384617950 /nfs/dbraw/zinc/61/79/50/1384617950.db2.gz DHZGCIVBMDHYFB-APWZRJJASA-N 2 1 334.467 3.373 20 0 EGADMP C[C@@H]1C[C@H](n2cc(CC[NH3+])c3cnccc32)C[N@H+]1Cc1ccccc1 ZINC001171732727 1384617955 /nfs/dbraw/zinc/61/79/55/1384617955.db2.gz DHZGCIVBMDHYFB-APWZRJJASA-N 2 1 334.467 3.373 20 0 EGADMP C[C@H]1C[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC001171732435 1384618614 /nfs/dbraw/zinc/61/86/14/1384618614.db2.gz AINPHKQRZLKPOK-RKFFNLMFSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171732435 1384618616 /nfs/dbraw/zinc/61/86/16/1384618616.db2.gz AINPHKQRZLKPOK-RKFFNLMFSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171732435 1384618617 /nfs/dbraw/zinc/61/86/17/1384618617.db2.gz AINPHKQRZLKPOK-RKFFNLMFSA-N 2 1 327.516 3.254 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001171763186 1384628987 /nfs/dbraw/zinc/62/89/87/1384628987.db2.gz UWBFRYYPISISMU-KRWDZBQOSA-N 2 1 333.520 3.309 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001171770044 1384630710 /nfs/dbraw/zinc/63/07/10/1384630710.db2.gz KWUAPNXRTRUQQF-UHFFFAOYSA-N 2 1 339.568 3.277 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)[C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171788586 1384637758 /nfs/dbraw/zinc/63/77/58/1384637758.db2.gz SAKISWHZPBWVNS-FHWLQOOXSA-N 2 1 339.458 3.460 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001171820133 1384649813 /nfs/dbraw/zinc/64/98/13/1384649813.db2.gz AXPSROQBRWJGNW-INIZCTEOSA-N 2 1 336.524 3.282 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001316880971 1384666153 /nfs/dbraw/zinc/66/61/53/1384666153.db2.gz OVSRERGAALQZHQ-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001171917602 1384680831 /nfs/dbraw/zinc/68/08/31/1384680831.db2.gz ASOFYFSEIQJLMS-QGZVFWFLSA-N 2 1 325.541 3.314 20 0 EGADMP CC1(C)C[C@@H]([NH2+][C@H]2CN3CCC2CC3)CC[N@H+]1Cc1ccccc1 ZINC001171969179 1384698071 /nfs/dbraw/zinc/69/80/71/1384698071.db2.gz UGHZLNZSAMUTIG-PMACEKPBSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@@H]([NH2+][C@H]2CN3CCC2CC3)CCN1Cc1ccccc1 ZINC001171969179 1384698074 /nfs/dbraw/zinc/69/80/74/1384698074.db2.gz UGHZLNZSAMUTIG-PMACEKPBSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@@H](N2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977482 1384701956 /nfs/dbraw/zinc/70/19/56/1384701956.db2.gz RPXWFMHEZLHNPU-FQEVSTJZSA-N 2 1 327.516 3.210 20 0 EGADMP CN1CCC[C@@H]2C[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]21 ZINC001171985858 1384703182 /nfs/dbraw/zinc/70/31/82/1384703182.db2.gz CKRABAWVDXKMTQ-NJYVYQBISA-N 2 1 341.543 3.456 20 0 EGADMP CN1CCC[C@@H]2C[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@@H]21 ZINC001171985858 1384703187 /nfs/dbraw/zinc/70/31/87/1384703187.db2.gz CKRABAWVDXKMTQ-NJYVYQBISA-N 2 1 341.543 3.456 20 0 EGADMP CN1CCC[C@@H]2C[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@@H]21 ZINC001171985858 1384703190 /nfs/dbraw/zinc/70/31/90/1384703190.db2.gz CKRABAWVDXKMTQ-NJYVYQBISA-N 2 1 341.543 3.456 20 0 EGADMP Cc1nc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)no1 ZINC001172060492 1384713661 /nfs/dbraw/zinc/71/36/61/1384713661.db2.gz ARWPKZVFOARHCI-REPLKXPHSA-N 2 1 340.471 3.096 20 0 EGADMP Cc1nccn1CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172060910 1384713746 /nfs/dbraw/zinc/71/37/46/1384713746.db2.gz DLYSKDMMCNQGEJ-MZADTFQBSA-N 2 1 338.499 3.367 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C(C)(C)C[NH3+])CC12CCCCC2 ZINC001172056021 1384713918 /nfs/dbraw/zinc/71/39/18/1384713918.db2.gz BDUSIFSITFLYMQ-OAHLLOKOSA-N 2 1 339.524 3.416 20 0 EGADMP Cc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n(C)n1 ZINC001172064275 1384714932 /nfs/dbraw/zinc/71/49/32/1384714932.db2.gz GYNJRYVTRQEFCS-ACDBMABISA-N 2 1 338.499 3.404 20 0 EGADMP Cc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n(C)n1 ZINC001172064275 1384714936 /nfs/dbraw/zinc/71/49/36/1384714936.db2.gz GYNJRYVTRQEFCS-ACDBMABISA-N 2 1 338.499 3.404 20 0 EGADMP c1nnc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC001172070646 1384717625 /nfs/dbraw/zinc/71/76/25/1384717625.db2.gz QVMREOLOWVRLFU-BCDXTJNWSA-N 2 1 342.512 3.256 20 0 EGADMP F[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172071458 1384718546 /nfs/dbraw/zinc/71/85/46/1384718546.db2.gz WYSHIRRJCPEGCC-UHZRXMQZSA-N 2 1 332.463 3.289 20 0 EGADMP F[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172071458 1384718549 /nfs/dbraw/zinc/71/85/49/1384718549.db2.gz WYSHIRRJCPEGCC-UHZRXMQZSA-N 2 1 332.463 3.289 20 0 EGADMP C[C@@H]1CC[C@H](O)C[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172068839 1384718638 /nfs/dbraw/zinc/71/86/38/1384718638.db2.gz LIDHUBVTBJBDKL-TZMRYXNNSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1CC[C@H](O)C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172068839 1384718640 /nfs/dbraw/zinc/71/86/40/1384718640.db2.gz LIDHUBVTBJBDKL-TZMRYXNNSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1CC[C@H](O)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068839 1384718646 /nfs/dbraw/zinc/71/86/46/1384718646.db2.gz LIDHUBVTBJBDKL-TZMRYXNNSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1CC[C@H](O)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068839 1384718649 /nfs/dbraw/zinc/71/86/49/1384718649.db2.gz LIDHUBVTBJBDKL-TZMRYXNNSA-N 2 1 328.500 3.417 20 0 EGADMP COC(=O)CC1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172076181 1384719582 /nfs/dbraw/zinc/71/95/82/1384719582.db2.gz WKLTXNZLVWWBIN-PMOLBWCYSA-N 2 1 342.483 3.067 20 0 EGADMP COC(=O)CC1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172076181 1384719586 /nfs/dbraw/zinc/71/95/86/1384719586.db2.gz WKLTXNZLVWWBIN-PMOLBWCYSA-N 2 1 342.483 3.067 20 0 EGADMP C[NH+](C)CCC[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172089920 1384724942 /nfs/dbraw/zinc/72/49/42/1384724942.db2.gz KRJRNEJPUKQYKE-FVQHAEBGSA-N 2 1 339.524 3.191 20 0 EGADMP Cc1[nH]c(=O)c(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2c1CCCC2 ZINC001172104214 1384726760 /nfs/dbraw/zinc/72/67/60/1384726760.db2.gz ASNHJXZIYJJIHW-PHZGNYQRSA-N 2 1 329.488 3.079 20 0 EGADMP Cc1[nH]c(=O)c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2c1CCCC2 ZINC001172104214 1384726765 /nfs/dbraw/zinc/72/67/65/1384726765.db2.gz ASNHJXZIYJJIHW-PHZGNYQRSA-N 2 1 329.488 3.079 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCOc1cccc3cccnc31)C2 ZINC001172105780 1384728774 /nfs/dbraw/zinc/72/87/74/1384728774.db2.gz KJXVTGUDEYGCFQ-NNZMDNLPSA-N 2 1 325.456 3.219 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC([NH3+])(c3ccccc3F)CC1)C2 ZINC001172112973 1384730390 /nfs/dbraw/zinc/73/03/90/1384730390.db2.gz DEAMKTDSZPXCIQ-BJWYYQGGSA-N 2 1 331.479 3.091 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCN(Cc3ccccc3F)C1)C2 ZINC001172113609 1384731242 /nfs/dbraw/zinc/73/12/42/1384731242.db2.gz ICFHVVNPJSLFKT-AKHDSKFASA-N 2 1 331.479 3.005 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCN(Cc3ccccc3F)C1)C2 ZINC001172113609 1384731244 /nfs/dbraw/zinc/73/12/44/1384731244.db2.gz ICFHVVNPJSLFKT-AKHDSKFASA-N 2 1 331.479 3.005 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[NH+](Cc3ccc(F)cc3)CC1)C2 ZINC001172123390 1384734882 /nfs/dbraw/zinc/73/48/82/1384734882.db2.gz GASGVRCLFXYFCV-WKCHPHFGSA-N 2 1 345.506 3.349 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[NH+](Cc3ccc(F)cc3)CC1)C2 ZINC001172123390 1384734884 /nfs/dbraw/zinc/73/48/84/1384734884.db2.gz GASGVRCLFXYFCV-WKCHPHFGSA-N 2 1 345.506 3.349 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[N@H+](Cc3ccc(F)cc3)CC1)C2 ZINC001172123390 1384734888 /nfs/dbraw/zinc/73/48/88/1384734888.db2.gz GASGVRCLFXYFCV-WKCHPHFGSA-N 2 1 345.506 3.349 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[N@@H+](Cc3ccc(F)cc3)CC1)C2 ZINC001172123390 1384734890 /nfs/dbraw/zinc/73/48/90/1384734890.db2.gz GASGVRCLFXYFCV-WKCHPHFGSA-N 2 1 345.506 3.349 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCN(Cc3ccc(F)cc3)CC1)C2 ZINC001172123390 1384734893 /nfs/dbraw/zinc/73/48/93/1384734893.db2.gz GASGVRCLFXYFCV-WKCHPHFGSA-N 2 1 345.506 3.349 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCN(Cc3ccc(F)cc3)CC1)C2 ZINC001172123390 1384734896 /nfs/dbraw/zinc/73/48/96/1384734896.db2.gz GASGVRCLFXYFCV-WKCHPHFGSA-N 2 1 345.506 3.349 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCN(Cc3ccc(F)cc3)CC1)C2 ZINC001172123390 1384734900 /nfs/dbraw/zinc/73/49/00/1384734900.db2.gz GASGVRCLFXYFCV-WKCHPHFGSA-N 2 1 345.506 3.349 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCN(Cc3ccc(F)cc3)CC1)C2 ZINC001172123390 1384734905 /nfs/dbraw/zinc/73/49/05/1384734905.db2.gz GASGVRCLFXYFCV-WKCHPHFGSA-N 2 1 345.506 3.349 20 0 EGADMP CC(C)[N@H+](CCNC(=O)OC(C)(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127615 1384736142 /nfs/dbraw/zinc/73/61/42/1384736142.db2.gz JZIWXHWIPUZLSZ-FVQHAEBGSA-N 2 1 339.524 3.237 20 0 EGADMP CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127615 1384736145 /nfs/dbraw/zinc/73/61/45/1384736145.db2.gz JZIWXHWIPUZLSZ-FVQHAEBGSA-N 2 1 339.524 3.237 20 0 EGADMP CC(C)[NH+](CCNC(=O)OC(C)(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127615 1384736148 /nfs/dbraw/zinc/73/61/48/1384736148.db2.gz JZIWXHWIPUZLSZ-FVQHAEBGSA-N 2 1 339.524 3.237 20 0 EGADMP CC(C)[NH+](CCNC(=O)OC(C)(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127615 1384736151 /nfs/dbraw/zinc/73/61/51/1384736151.db2.gz JZIWXHWIPUZLSZ-FVQHAEBGSA-N 2 1 339.524 3.237 20 0 EGADMP COc1cccc(N(C2CC[NH2+]CC2)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172129160 1384737851 /nfs/dbraw/zinc/73/78/51/1384737851.db2.gz XFUJEHYFAAAFHR-OPVJXMOQSA-N 2 1 343.515 3.269 20 0 EGADMP CC(C)c1noc([C@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172129322 1384737946 /nfs/dbraw/zinc/73/79/46/1384737946.db2.gz YGTRIHZCAQKTDB-NXOAAHMSSA-N 2 1 332.492 3.388 20 0 EGADMP CC(C)c1noc([C@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001172129322 1384737950 /nfs/dbraw/zinc/73/79/50/1384737950.db2.gz YGTRIHZCAQKTDB-NXOAAHMSSA-N 2 1 332.492 3.388 20 0 EGADMP CC(C)c1noc([C@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172129322 1384737952 /nfs/dbraw/zinc/73/79/52/1384737952.db2.gz YGTRIHZCAQKTDB-NXOAAHMSSA-N 2 1 332.492 3.388 20 0 EGADMP CC(C)c1noc([C@@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172129321 1384738234 /nfs/dbraw/zinc/73/82/34/1384738234.db2.gz YGTRIHZCAQKTDB-NCOADZHNSA-N 2 1 332.492 3.388 20 0 EGADMP CC(C)c1noc([C@@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001172129321 1384738236 /nfs/dbraw/zinc/73/82/36/1384738236.db2.gz YGTRIHZCAQKTDB-NCOADZHNSA-N 2 1 332.492 3.388 20 0 EGADMP CC(C)c1noc([C@@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172129321 1384738238 /nfs/dbraw/zinc/73/82/38/1384738238.db2.gz YGTRIHZCAQKTDB-NCOADZHNSA-N 2 1 332.492 3.388 20 0 EGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C4C[C@H]5CC[C@@H](C4)O5)C3)C2)cc1 ZINC001172230631 1384752806 /nfs/dbraw/zinc/75/28/06/1384752806.db2.gz FJXFXCUDNFWYDQ-VTHDOGFWSA-N 2 1 326.484 3.294 20 0 EGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C4C[C@H]5CC[C@@H](C4)O5)C3)C2)cc1 ZINC001172230631 1384752808 /nfs/dbraw/zinc/75/28/08/1384752808.db2.gz FJXFXCUDNFWYDQ-VTHDOGFWSA-N 2 1 326.484 3.294 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](C1CC[NH+](C3C[C@H]4CC[C@@H](C3)O4)CC1)C2 ZINC001172230706 1384752842 /nfs/dbraw/zinc/75/28/42/1384752842.db2.gz GSUGJBDBGKRYHK-SEJPIABJSA-N 2 1 326.484 3.219 20 0 EGADMP c1ccc2c(c1)CC[N@H+](C1CC[NH+](C3C[C@H]4CC[C@@H](C3)O4)CC1)C2 ZINC001172230706 1384752843 /nfs/dbraw/zinc/75/28/43/1384752843.db2.gz GSUGJBDBGKRYHK-SEJPIABJSA-N 2 1 326.484 3.219 20 0 EGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172241719 1384754279 /nfs/dbraw/zinc/75/42/79/1384754279.db2.gz GNUQLHWBLWOTFT-SEJPIABJSA-N 2 1 326.484 3.316 20 0 EGADMP CC[C@@H](C)OCC[C@H](C)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172333010 1384772155 /nfs/dbraw/zinc/77/21/55/1384772155.db2.gz IZHFPSUAGWZITO-MHORFTMASA-N 2 1 326.525 3.331 20 0 EGADMP CC(C)OC(=O)CC[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001172761437 1384845723 /nfs/dbraw/zinc/84/57/23/1384845723.db2.gz RLIUEFSZKSJJPP-SFHVURJKSA-N 2 1 346.515 3.403 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001172799957 1384854736 /nfs/dbraw/zinc/85/47/36/1384854736.db2.gz JPQSKZMIIWPTJT-CSNJMZFVSA-N 2 1 349.519 3.014 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172829368 1384860017 /nfs/dbraw/zinc/86/00/17/1384860017.db2.gz AKFQSTLXCWOYAL-FGZHOGPDSA-N 2 1 342.527 3.428 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172848477 1384865521 /nfs/dbraw/zinc/86/55/21/1384865521.db2.gz UKNMASOUDPZJHB-CYBMUJFWSA-N 2 1 328.859 3.111 20 0 EGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001173091713 1384912334 /nfs/dbraw/zinc/91/23/34/1384912334.db2.gz UUNWGQSYVQIEJV-XJKCOSOUSA-N 2 1 330.394 3.446 20 0 EGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001173091713 1384912337 /nfs/dbraw/zinc/91/23/37/1384912337.db2.gz UUNWGQSYVQIEJV-XJKCOSOUSA-N 2 1 330.394 3.446 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]3OCCC[C@@]3(COC)C2)CC1 ZINC001173109457 1384916369 /nfs/dbraw/zinc/91/63/69/1384916369.db2.gz BNUGIINFKUWONV-GUMHCPJTSA-N 2 1 338.536 3.157 20 0 EGADMP CCc1ncnc2c1CC[N@@H+](C1CCC([NH+](CC)CC)CC1)CC2 ZINC001173110295 1384916728 /nfs/dbraw/zinc/91/67/28/1384916728.db2.gz JJCMLMFOGGWHSH-UHFFFAOYSA-N 2 1 330.520 3.093 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@]3(CCCN3C(=O)C(C)C)C2)CC1 ZINC001173112129 1384916997 /nfs/dbraw/zinc/91/69/97/1384916997.db2.gz QXPXEVQNIPSNKR-GRERDSQWSA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCO[C@@H](COc3ccccc3)C2)CC1 ZINC001173113282 1384917886 /nfs/dbraw/zinc/91/78/86/1384917886.db2.gz MJNBICVHEFIKAF-GZNCHQMQSA-N 2 1 346.515 3.419 20 0 EGADMP c1nc2c(s1)C[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001173140621 1384922885 /nfs/dbraw/zinc/92/28/85/1384922885.db2.gz KWUCBBQQRZXGJY-SFHVURJKSA-N 2 1 341.524 3.297 20 0 EGADMP COc1cccc2c1C[C@H]([N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1)CO2 ZINC001173159173 1384926712 /nfs/dbraw/zinc/92/67/12/1384926712.db2.gz CCFJLWYXIJRBEJ-ROUUACIJSA-N 2 1 344.499 3.339 20 0 EGADMP COc1cccc2c1C[C@H]([N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)CO2 ZINC001173159173 1384926714 /nfs/dbraw/zinc/92/67/14/1384926714.db2.gz CCFJLWYXIJRBEJ-ROUUACIJSA-N 2 1 344.499 3.339 20 0 EGADMP CCN1CC[C@@H]([N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001173369153 1384965432 /nfs/dbraw/zinc/96/54/32/1384965432.db2.gz UDEKHULKEFQKNS-OAQYLSRUSA-N 2 1 341.543 3.459 20 0 EGADMP CC[N@@H+]1CC[C@@H](N2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001173369153 1384965437 /nfs/dbraw/zinc/96/54/37/1384965437.db2.gz UDEKHULKEFQKNS-OAQYLSRUSA-N 2 1 341.543 3.459 20 0 EGADMP CC[N@H+]1CC[C@@H](N2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001173369153 1384965438 /nfs/dbraw/zinc/96/54/38/1384965438.db2.gz UDEKHULKEFQKNS-OAQYLSRUSA-N 2 1 341.543 3.459 20 0 EGADMP CC[N@H+]1CC[C@@H](N([C@H](C)c2ccccc2)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001173368690 1384965551 /nfs/dbraw/zinc/96/55/51/1384965551.db2.gz QQXMZVWAKJKQQX-DUXKGJEZSA-N 2 1 327.516 3.238 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001173621596 1384990255 /nfs/dbraw/zinc/99/02/55/1384990255.db2.gz YMGVOUCZSQGJCL-UYAOXDASSA-N 2 1 344.499 3.363 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@@H](N(c2cccc(C)[nH+]2)C2CC[NH2+]CC2)C1 ZINC001173662840 1384999280 /nfs/dbraw/zinc/99/92/80/1384999280.db2.gz CCELPRWSVCCHHU-SJLPKXTDSA-N 2 1 345.487 3.070 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1CCN(CC(F)(F)F)CC1 ZINC001173673248 1385001283 /nfs/dbraw/zinc/00/12/83/1385001283.db2.gz JQCYGAWFFOZFNA-DLBZAZTESA-N 2 1 347.469 3.352 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1CCN(CC(F)(F)F)CC1 ZINC001173673248 1385001286 /nfs/dbraw/zinc/00/12/86/1385001286.db2.gz JQCYGAWFFOZFNA-DLBZAZTESA-N 2 1 347.469 3.352 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C1CCN(CC(F)(F)F)CC1 ZINC001173673248 1385001289 /nfs/dbraw/zinc/00/12/89/1385001289.db2.gz JQCYGAWFFOZFNA-DLBZAZTESA-N 2 1 347.469 3.352 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CCC([NH2+][C@H](C)c2ccccc2)CC1 ZINC001317221169 1385001735 /nfs/dbraw/zinc/00/17/35/1385001735.db2.gz YGOYLEVLMVGZQS-QHGAOEGBSA-N 2 1 345.531 3.497 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CCC([NH2+][C@H](C)c2ccccc2F)CC1 ZINC001317222655 1385003721 /nfs/dbraw/zinc/00/37/21/1385003721.db2.gz GVEXNXXAEWGFOI-KLAILNCOSA-N 2 1 349.494 3.246 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](CC)c1ccc(F)cc1 ZINC001317448347 1385148763 /nfs/dbraw/zinc/14/87/63/1385148763.db2.gz KKSBEDXGSBRHEA-RBUKOAKNSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)[C@@H](CC)c1ccc(F)cc1 ZINC001317448347 1385148766 /nfs/dbraw/zinc/14/87/66/1385148766.db2.gz KKSBEDXGSBRHEA-RBUKOAKNSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)[C@@H](CC)c1ccc(F)cc1 ZINC001317448347 1385148768 /nfs/dbraw/zinc/14/87/68/1385148768.db2.gz KKSBEDXGSBRHEA-RBUKOAKNSA-N 2 1 349.494 3.199 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175255833 1385230923 /nfs/dbraw/zinc/23/09/23/1385230923.db2.gz HKXAUGDWTAQQEN-IRXDYDNUSA-N 2 1 337.552 3.172 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]2CCC[C@H]2C)cc1 ZINC001175257292 1385232112 /nfs/dbraw/zinc/23/21/12/1385232112.db2.gz YJUCUHLWAKJIOW-RTBURBONSA-N 2 1 345.531 3.244 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175263730 1385234391 /nfs/dbraw/zinc/23/43/91/1385234391.db2.gz QUSQMLLKNVCKNY-SJORKVTESA-N 2 1 325.541 3.029 20 0 EGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175265511 1385235366 /nfs/dbraw/zinc/23/53/66/1385235366.db2.gz YZHCTVNKPCSCMH-LPHOPBHVSA-N 2 1 343.531 3.264 20 0 EGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@H](O)Cc2ccccc2)CC1 ZINC001175352692 1385263694 /nfs/dbraw/zinc/26/36/94/1385263694.db2.gz QQLMDZGZVNOOJJ-LEWJYISDSA-N 2 1 330.516 3.176 20 0 EGADMP CCC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC1CCCCC1 ZINC001317543427 1385285657 /nfs/dbraw/zinc/28/56/57/1385285657.db2.gz NFZMQLGSYQSLJG-UHFFFAOYSA-N 2 1 335.536 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1 ZINC001175566754 1385335098 /nfs/dbraw/zinc/33/50/98/1385335098.db2.gz ZHHOLTWKTIIGBQ-KRWDZBQOSA-N 2 1 348.535 3.461 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001175573586 1385336652 /nfs/dbraw/zinc/33/66/52/1385336652.db2.gz OZSKXRXPVLTUNM-MOPGFXCFSA-N 2 1 337.552 3.480 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175703612 1385377831 /nfs/dbraw/zinc/37/78/31/1385377831.db2.gz HMGCKJYYBKFJHA-KRWDZBQOSA-N 2 1 334.508 3.203 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001335986003 1388983112 /nfs/dbraw/zinc/98/31/12/1388983112.db2.gz IDTWXLGVXWAQLQ-BBRMVZONSA-N 2 1 344.421 3.449 20 0 EGADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](C(C)(C)C)C2)c1C ZINC001335985270 1388983204 /nfs/dbraw/zinc/98/32/04/1388983204.db2.gz BXMUFMVWDNRBIV-OALUTQOASA-N 2 1 348.531 3.062 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1csc(C)c1 ZINC001176024123 1385464143 /nfs/dbraw/zinc/46/41/43/1385464143.db2.gz LPCIPWIRYWZOOJ-HNNXBMFYSA-N 2 1 339.549 3.163 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CC1 ZINC001176111085 1385486842 /nfs/dbraw/zinc/48/68/42/1385486842.db2.gz FUJWSVOLOJPQHF-IEBWSBKVSA-N 2 1 337.552 3.316 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCCC(C)C ZINC001176268923 1385532434 /nfs/dbraw/zinc/53/24/34/1385532434.db2.gz OIYXNJLPVLVJOF-GOSISDBHSA-N 2 1 327.557 3.419 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001176269611 1385533617 /nfs/dbraw/zinc/53/36/17/1385533617.db2.gz WKEQHZRQGSXMIV-KRWDZBQOSA-N 2 1 327.557 3.419 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001176284191 1385538951 /nfs/dbraw/zinc/53/89/51/1385538951.db2.gz CWYAYOPTGLMFPC-QGZVFWFLSA-N 2 1 327.557 3.419 20 0 EGADMP CC(C)CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001317876381 1385555988 /nfs/dbraw/zinc/55/59/88/1385555988.db2.gz VZWFXYRSNOMYBD-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001317876381 1385555994 /nfs/dbraw/zinc/55/59/94/1385555994.db2.gz VZWFXYRSNOMYBD-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001317876381 1385555997 /nfs/dbraw/zinc/55/59/97/1385555997.db2.gz VZWFXYRSNOMYBD-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001317879382 1385557713 /nfs/dbraw/zinc/55/77/13/1385557713.db2.gz BTEHUQZODLOHCA-QGZVFWFLSA-N 2 1 339.568 3.181 20 0 EGADMP CC[C@@H](C)C[NH+](C)CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001317879382 1385557716 /nfs/dbraw/zinc/55/77/16/1385557716.db2.gz BTEHUQZODLOHCA-QGZVFWFLSA-N 2 1 339.568 3.181 20 0 EGADMP CC[C@@H](C)C[NH+](C)CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001317879382 1385557721 /nfs/dbraw/zinc/55/77/21/1385557721.db2.gz BTEHUQZODLOHCA-QGZVFWFLSA-N 2 1 339.568 3.181 20 0 EGADMP CCCN(C(=O)C[NH2+]C(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001318211675 1385628698 /nfs/dbraw/zinc/62/86/98/1385628698.db2.gz QRCOMFJOMYNYKG-LJQANCHMSA-N 2 1 345.531 3.278 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176592400 1385635511 /nfs/dbraw/zinc/63/55/11/1385635511.db2.gz ZDQMVRUTLNILKH-DKRLNXSXSA-N 2 1 334.508 3.203 20 0 EGADMP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176592452 1385635716 /nfs/dbraw/zinc/63/57/16/1385635716.db2.gz ZDQMVRUTLNILKH-TUYSUELWSA-N 2 1 334.508 3.203 20 0 EGADMP CCc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001176754688 1385684934 /nfs/dbraw/zinc/68/49/34/1385684934.db2.gz YHDFZONAOAKYQX-GOSISDBHSA-N 2 1 347.547 3.354 20 0 EGADMP CCc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001176754407 1385685254 /nfs/dbraw/zinc/68/52/54/1385685254.db2.gz UNUKCBOZXFEXSC-GOSISDBHSA-N 2 1 347.547 3.354 20 0 EGADMP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176760308 1385686421 /nfs/dbraw/zinc/68/64/21/1385686421.db2.gz UKUWKMVVUIPZIZ-RJCMGOLDSA-N 2 1 337.552 3.482 20 0 EGADMP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC001318582657 1385771195 /nfs/dbraw/zinc/77/11/95/1385771195.db2.gz SUQYSQISQKSCOK-WMZOPIPTSA-N 2 1 342.487 3.252 20 0 EGADMP Cc1cccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1F ZINC001177104599 1385813773 /nfs/dbraw/zinc/81/37/73/1385813773.db2.gz XZMRIWFWRZCUIE-QGZVFWFLSA-N 2 1 347.503 3.274 20 0 EGADMP CC(C)[C@H](CN[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC1 ZINC001177208821 1385864957 /nfs/dbraw/zinc/86/49/57/1385864957.db2.gz AHOTZLBTNNSGQB-GIVPXCGWSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[C@H](CN[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC1 ZINC001177208821 1385864959 /nfs/dbraw/zinc/86/49/59/1385864959.db2.gz AHOTZLBTNNSGQB-GIVPXCGWSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[C@H](C[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)[NH+]1CCCC1 ZINC001177208821 1385864963 /nfs/dbraw/zinc/86/49/63/1385864963.db2.gz AHOTZLBTNNSGQB-GIVPXCGWSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001177267814 1385890721 /nfs/dbraw/zinc/89/07/21/1385890721.db2.gz YVZNJZHYFHONMK-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C(C)C)nc3sc(C)nn23)C1 ZINC001177483347 1385973332 /nfs/dbraw/zinc/97/33/32/1385973332.db2.gz OBISRAURRXMEMR-AWEZNQCLSA-N 2 1 335.521 3.044 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C(C)C)nc3sc(C)nn23)C1 ZINC001177483347 1385973335 /nfs/dbraw/zinc/97/33/35/1385973335.db2.gz OBISRAURRXMEMR-AWEZNQCLSA-N 2 1 335.521 3.044 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001177487682 1385975692 /nfs/dbraw/zinc/97/56/92/1385975692.db2.gz KMPHJOGWNJAXEZ-XLIONFOSSA-N 2 1 325.456 3.405 20 0 EGADMP Cc1ccc(C[NH+]2CCCN(CC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC001319222350 1386012598 /nfs/dbraw/zinc/01/25/98/1386012598.db2.gz CLRVUUAHPQGGRZ-OAQYLSRUSA-N 2 1 329.532 3.377 20 0 EGADMP Cc1ccc(C[N@H+]2CCCN(CC[C@H]3CCCC[NH+]3C)CC2)cc1 ZINC001319222350 1386012603 /nfs/dbraw/zinc/01/26/03/1386012603.db2.gz CLRVUUAHPQGGRZ-OAQYLSRUSA-N 2 1 329.532 3.377 20 0 EGADMP Cc1ccc(C[N@@H+]2CCCN(CC[C@H]3CCCC[NH+]3C)CC2)cc1 ZINC001319222350 1386012605 /nfs/dbraw/zinc/01/26/05/1386012605.db2.gz CLRVUUAHPQGGRZ-OAQYLSRUSA-N 2 1 329.532 3.377 20 0 EGADMP Cc1ccc(C[NH+]2CCCN(CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC001319222349 1386012729 /nfs/dbraw/zinc/01/27/29/1386012729.db2.gz CLRVUUAHPQGGRZ-NRFANRHFSA-N 2 1 329.532 3.377 20 0 EGADMP Cc1ccc(C[N@H+]2CCCN(CC[C@@H]3CCCC[NH+]3C)CC2)cc1 ZINC001319222349 1386012732 /nfs/dbraw/zinc/01/27/32/1386012732.db2.gz CLRVUUAHPQGGRZ-NRFANRHFSA-N 2 1 329.532 3.377 20 0 EGADMP Cc1ccc(C[N@@H+]2CCCN(CC[C@@H]3CCCC[NH+]3C)CC2)cc1 ZINC001319222349 1386012737 /nfs/dbraw/zinc/01/27/37/1386012737.db2.gz CLRVUUAHPQGGRZ-NRFANRHFSA-N 2 1 329.532 3.377 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC2CCCCC2)C1 ZINC001319228600 1386015385 /nfs/dbraw/zinc/01/53/85/1386015385.db2.gz IZSHTEOTCVNZKD-HKUYNNGSSA-N 2 1 337.552 3.031 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001698626773 1406269008 /nfs/dbraw/zinc/26/90/08/1406269008.db2.gz OOYFAGBZLGFIBZ-KZNAEPCWSA-N 2 1 337.552 3.027 20 0 EGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001178468144 1386226417 /nfs/dbraw/zinc/22/64/17/1386226417.db2.gz PJXZKGCHFOOBDC-VOFKWLDRSA-N 2 1 337.552 3.482 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001178490922 1386234164 /nfs/dbraw/zinc/23/41/64/1386234164.db2.gz VFVANVVAVLFIJB-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1C ZINC001178689033 1386279185 /nfs/dbraw/zinc/27/91/85/1386279185.db2.gz MROJRHUOHJSQLI-OKZBNKHCSA-N 2 1 337.552 3.265 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]Cc1ccsc1 ZINC001178854157 1386329550 /nfs/dbraw/zinc/32/95/50/1386329550.db2.gz WGPDAHIIQILXSC-UHFFFAOYSA-N 2 1 339.549 3.245 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001178926207 1386350710 /nfs/dbraw/zinc/35/07/10/1386350710.db2.gz SFWGQEFOMQJQDU-BZSNNMDCSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]([NH2+][C@H]1CCCc2ccccc21)C(C)C ZINC001319957625 1386418900 /nfs/dbraw/zinc/41/89/00/1386418900.db2.gz QZAVVAPYNJDMTF-VQTJNVASSA-N 2 1 345.531 3.136 20 0 EGADMP CC(C)CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001179234061 1386428124 /nfs/dbraw/zinc/42/81/24/1386428124.db2.gz GZDKYVFRPQNGAY-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]C/C=C/Cl)C1 ZINC001179357863 1386462802 /nfs/dbraw/zinc/46/28/02/1386462802.db2.gz NYUSVPQCZPQFKD-SYJIQKIWSA-N 2 1 343.943 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001320073140 1386492774 /nfs/dbraw/zinc/49/27/74/1386492774.db2.gz RGLXPISYCYINRL-UHFFFAOYSA-N 2 1 347.547 3.216 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001320073140 1386492775 /nfs/dbraw/zinc/49/27/75/1386492775.db2.gz RGLXPISYCYINRL-UHFFFAOYSA-N 2 1 347.547 3.216 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001320073140 1386492778 /nfs/dbraw/zinc/49/27/78/1386492778.db2.gz RGLXPISYCYINRL-UHFFFAOYSA-N 2 1 347.547 3.216 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCCCCCC[NH2+]CCCC(C)(C)C)C1 ZINC001179586873 1386523771 /nfs/dbraw/zinc/52/37/71/1386523771.db2.gz UVOKRLNJEZMCBJ-GOSISDBHSA-N 2 1 339.568 3.421 20 0 EGADMP CCC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001179585483 1386524353 /nfs/dbraw/zinc/52/43/53/1386524353.db2.gz IXOMHXIWGBSBOD-HMTUNPETSA-N 2 1 337.552 3.197 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001179592460 1386526765 /nfs/dbraw/zinc/52/67/65/1386526765.db2.gz CCBOAKNIPVPAJS-KRWDZBQOSA-N 2 1 325.541 3.031 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179792551 1386587634 /nfs/dbraw/zinc/58/76/34/1386587634.db2.gz ROFSPHCZAKFDNT-MOPGFXCFSA-N 2 1 337.552 3.316 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2)[C@@H]1C ZINC001179978507 1386656728 /nfs/dbraw/zinc/65/67/28/1386656728.db2.gz DHZOLSJAGVBVCP-LNLFQRSKSA-N 2 1 331.504 3.059 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CCCF ZINC001180035884 1386676546 /nfs/dbraw/zinc/67/65/46/1386676546.db2.gz YCUSXECMBSRNIW-SFHVURJKSA-N 2 1 343.531 3.267 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CC(CC)CC ZINC001180117926 1386702438 /nfs/dbraw/zinc/70/24/38/1386702438.db2.gz MBVLAKGPZNABDT-UHFFFAOYSA-N 2 1 327.557 3.421 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]Cc1csc(C)c1 ZINC001180123262 1386703876 /nfs/dbraw/zinc/70/38/76/1386703876.db2.gz DEGGZDTYGSZZRV-UHFFFAOYSA-N 2 1 339.549 3.165 20 0 EGADMP C[C@@H](CCC(F)(F)F)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001180310420 1386760941 /nfs/dbraw/zinc/76/09/41/1386760941.db2.gz GZABXPDMUSZAML-YOEHRIQHSA-N 2 1 344.421 3.464 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CC(C)C1 ZINC001180372684 1386777607 /nfs/dbraw/zinc/77/76/07/1386777607.db2.gz HIHAHXRMRVYINJ-ACBHZAAOSA-N 2 1 337.552 3.173 20 0 EGADMP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181440455 1386995096 /nfs/dbraw/zinc/99/50/96/1386995096.db2.gz GPUUWCYGRGMKAQ-BWPKTWLJSA-N 2 1 349.563 3.290 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001181671008 1387035983 /nfs/dbraw/zinc/03/59/83/1387035983.db2.gz HFSXERXOGJIEQH-SLYNCCJLSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001181672690 1387036214 /nfs/dbraw/zinc/03/62/14/1387036214.db2.gz YWWDABYVIFEXGM-YCIUYBBHSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCC[NH2+]C[C@]1(C)CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001181793563 1387056080 /nfs/dbraw/zinc/05/60/80/1387056080.db2.gz WMGBWJLKGHOBJA-QWFCFKBJSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[N@@H+](C)CCC(=O)N(CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001181868854 1387066750 /nfs/dbraw/zinc/06/67/50/1387066750.db2.gz NIUQEXDIGYJYNH-IYARVYRRSA-N 2 1 325.541 3.253 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@H](C)c1cccc(Cl)c1 ZINC001322274951 1387134507 /nfs/dbraw/zinc/13/45/07/1387134507.db2.gz RZDYBNPZKMBCRT-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001322274951 1387134510 /nfs/dbraw/zinc/13/45/10/1387134510.db2.gz RZDYBNPZKMBCRT-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001322274951 1387134512 /nfs/dbraw/zinc/13/45/12/1387134512.db2.gz RZDYBNPZKMBCRT-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC2CCC2)C1 ZINC001182614744 1387196977 /nfs/dbraw/zinc/19/69/77/1387196977.db2.gz PJEFILXSYYODOO-DBXWQHBBSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)[nH]n1 ZINC001322600078 1387211629 /nfs/dbraw/zinc/21/16/29/1387211629.db2.gz HHIHKOHEQIDWIH-IYBDPMFKSA-N 2 1 326.488 3.486 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC001322634603 1387217112 /nfs/dbraw/zinc/21/71/12/1387217112.db2.gz VIEGMPPRWDCUHI-QZTJIDSGSA-N 3 1 333.520 3.010 20 0 EGADMP CC[N@@H+]1CCC[C@H](CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC001322634603 1387217117 /nfs/dbraw/zinc/21/71/17/1387217117.db2.gz VIEGMPPRWDCUHI-QZTJIDSGSA-N 2 1 333.520 3.010 20 0 EGADMP CC[N@H+]1CCC[C@H](CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC001322634603 1387217121 /nfs/dbraw/zinc/21/71/21/1387217121.db2.gz VIEGMPPRWDCUHI-QZTJIDSGSA-N 2 1 333.520 3.010 20 0 EGADMP CCN1CCC[C@H](C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC001322634603 1387217123 /nfs/dbraw/zinc/21/71/23/1387217123.db2.gz VIEGMPPRWDCUHI-QZTJIDSGSA-N 2 1 333.520 3.010 20 0 EGADMP CCCC[C@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001329886688 1389246053 /nfs/dbraw/zinc/24/60/53/1389246053.db2.gz GBIMWOTXIPVHQV-MOPGFXCFSA-N 2 1 349.494 3.075 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@H]2CCO[C@H](C3CC3)C2)cc1 ZINC001332882318 1390208141 /nfs/dbraw/zinc/20/81/41/1390208141.db2.gz XALOHPDASMDRJM-INFJVKRUSA-N 2 1 340.511 3.444 20 0 EGADMP CC[C@H](C)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001340866041 1390389220 /nfs/dbraw/zinc/38/92/20/1390389220.db2.gz WVTVLARBEKBXDQ-XEYPJELSSA-N 2 1 345.531 3.261 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(O[C@@H]4CCOC4)cc3)C[C@H]2C1 ZINC001333891392 1390431640 /nfs/dbraw/zinc/43/16/40/1390431640.db2.gz LRVURQFIGSUEFY-ANTGDGSKSA-N 2 1 344.499 3.016 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]([NH3+])C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001341699207 1390518739 /nfs/dbraw/zinc/51/87/39/1390518739.db2.gz DMZPITLCXDOEFX-NEWSRXKRSA-N 2 1 345.531 3.261 20 0 EGADMP CC(C)C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001341701033 1390518887 /nfs/dbraw/zinc/51/88/87/1390518887.db2.gz MPPATERGBNMGOJ-YZGWKJHDSA-N 2 1 345.531 3.261 20 0 EGADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(Cl)cc1O ZINC001334358154 1390524434 /nfs/dbraw/zinc/52/44/34/1390524434.db2.gz WYDZBNCOPDJTPR-KCQAQPDRSA-N 2 1 338.879 3.216 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC001335399416 1390679774 /nfs/dbraw/zinc/67/97/74/1390679774.db2.gz ZYIFNHPDSUASAJ-CQSZACIVSA-N 2 1 337.895 3.379 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cnc(F)c(C)c3)CC2)oc1C ZINC001335442598 1390684730 /nfs/dbraw/zinc/68/47/30/1390684730.db2.gz APQHHIQEBNRIFP-UHFFFAOYSA-N 2 1 346.450 3.136 20 0 EGADMP c1ccc(C2CCC(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC001343259930 1390702991 /nfs/dbraw/zinc/70/29/91/1390702991.db2.gz AHVIFCRFQPGDSO-CGNZLSCGSA-N 2 1 328.500 3.413 20 0 EGADMP c1ccc(C2CCC(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC001343259930 1390702994 /nfs/dbraw/zinc/70/29/94/1390702994.db2.gz AHVIFCRFQPGDSO-CGNZLSCGSA-N 2 1 328.500 3.413 20 0 EGADMP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)sc2C1 ZINC001345956189 1390897192 /nfs/dbraw/zinc/89/71/92/1390897192.db2.gz MTAOSCMZSZRUNE-OAGGEKHMSA-N 2 1 333.545 3.480 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001347927755 1391147712 /nfs/dbraw/zinc/14/77/12/1391147712.db2.gz YNCBAMOBYWFHBW-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(O)c(F)c3)CC2)oc1C ZINC001351986698 1391738677 /nfs/dbraw/zinc/73/86/77/1391738677.db2.gz IMUNAJFVPLGEFG-UHFFFAOYSA-N 2 1 347.434 3.138 20 0 EGADMP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001353875447 1392104359 /nfs/dbraw/zinc/10/43/59/1392104359.db2.gz NOLBADORPNLBTL-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001479957399 1392494139 /nfs/dbraw/zinc/49/41/39/1392494139.db2.gz XNQIYDFIMWBAGW-TUYSUELWSA-N 2 1 335.536 3.186 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001479957399 1392494142 /nfs/dbraw/zinc/49/41/42/1392494142.db2.gz XNQIYDFIMWBAGW-TUYSUELWSA-N 2 1 335.536 3.186 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001479957399 1392494144 /nfs/dbraw/zinc/49/41/44/1392494144.db2.gz XNQIYDFIMWBAGW-TUYSUELWSA-N 2 1 335.536 3.186 20 0 EGADMP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001479964402 1392499705 /nfs/dbraw/zinc/49/97/05/1392499705.db2.gz VGCRKFRVNZIYJE-HOTGVXAUSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@@H](c1ccccc1F)[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001479964402 1392499707 /nfs/dbraw/zinc/49/97/07/1392499707.db2.gz VGCRKFRVNZIYJE-HOTGVXAUSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@@H](c1ccccc1F)[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001479964402 1392499708 /nfs/dbraw/zinc/49/97/08/1392499708.db2.gz VGCRKFRVNZIYJE-HOTGVXAUSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@@H](c1ccccc1F)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001479964402 1392499710 /nfs/dbraw/zinc/49/97/10/1392499710.db2.gz VGCRKFRVNZIYJE-HOTGVXAUSA-N 2 1 349.494 3.055 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001480073863 1392563730 /nfs/dbraw/zinc/56/37/30/1392563730.db2.gz XWNWRMAFHLAQFI-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CCCC(C)(C)C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001480073863 1392563731 /nfs/dbraw/zinc/56/37/31/1392563731.db2.gz XWNWRMAFHLAQFI-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CCCC(C)(C)C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001480073863 1392563739 /nfs/dbraw/zinc/56/37/39/1392563739.db2.gz XWNWRMAFHLAQFI-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001480304293 1392667946 /nfs/dbraw/zinc/66/79/46/1392667946.db2.gz XEEDUJRHXUAQQL-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001480913083 1393016557 /nfs/dbraw/zinc/01/65/57/1393016557.db2.gz IKDIPZBXRFZDTK-QGZVFWFLSA-N 2 1 333.520 3.082 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+](C)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001480913083 1393016563 /nfs/dbraw/zinc/01/65/63/1393016563.db2.gz IKDIPZBXRFZDTK-QGZVFWFLSA-N 2 1 333.520 3.082 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001480913083 1393016565 /nfs/dbraw/zinc/01/65/65/1393016565.db2.gz IKDIPZBXRFZDTK-QGZVFWFLSA-N 2 1 333.520 3.082 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](CC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001480979119 1393064124 /nfs/dbraw/zinc/06/41/24/1393064124.db2.gz WRQPCRYUOSELFS-GOSISDBHSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[C@H](C)c1ccccc1 ZINC001481004446 1393083169 /nfs/dbraw/zinc/08/31/69/1393083169.db2.gz CCCSKVTYMRHEIZ-MOPGFXCFSA-N 2 1 345.531 3.450 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NC[C@H]1CCC[N@H+]1CCCC1CCCC1 ZINC001481071544 1393113349 /nfs/dbraw/zinc/11/33/49/1393113349.db2.gz RQRMYXLSKQAHCI-HXUWFJFHSA-N 2 1 349.563 3.413 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCC[N@H+]1CCCC1CCCC1 ZINC001481071543 1393113429 /nfs/dbraw/zinc/11/34/29/1393113429.db2.gz RQRMYXLSKQAHCI-FQEVSTJZSA-N 2 1 349.563 3.413 20 0 EGADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001490558611 1394258971 /nfs/dbraw/zinc/25/89/71/1394258971.db2.gz LQHJTVZHUHRLCD-OXJNMPFZSA-N 2 1 339.483 3.043 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001481444198 1394296793 /nfs/dbraw/zinc/29/67/93/1394296793.db2.gz KJRKQPGAGQAHIW-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)CCC2CCCC2)C1 ZINC001490773406 1394334901 /nfs/dbraw/zinc/33/49/01/1394334901.db2.gz FOIHLUNSGDHZCZ-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)CCC2CCCC2)C1 ZINC001490773406 1394334905 /nfs/dbraw/zinc/33/49/05/1394334905.db2.gz FOIHLUNSGDHZCZ-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](C[N@@H+](C)CCC2CCCC2)C1 ZINC001490773406 1394334912 /nfs/dbraw/zinc/33/49/12/1394334912.db2.gz FOIHLUNSGDHZCZ-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001481526677 1394377741 /nfs/dbraw/zinc/37/77/41/1394377741.db2.gz XXFOWJVVMVIXBZ-IEBWSBKVSA-N 2 1 343.515 3.121 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@@H]2CCCC[N@H+]2CC2CCCCC2)CC1 ZINC001491231478 1394485843 /nfs/dbraw/zinc/48/58/43/1394485843.db2.gz ZNAXGPMXDINVEK-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]Cc2ccccc2)CCCC1 ZINC001481896964 1394584956 /nfs/dbraw/zinc/58/49/56/1394584956.db2.gz JIGRTYNHSBFVIN-LJQANCHMSA-N 2 1 343.515 3.078 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC2CC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC001482044019 1394705724 /nfs/dbraw/zinc/70/57/24/1394705724.db2.gz ZECOQYSJKHZXLJ-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@]1(C)CC[N@H+](CCCC(C)(C)C)C1 ZINC001484065389 1395228246 /nfs/dbraw/zinc/22/82/46/1395228246.db2.gz LOWGZZNMHFCGMX-FQEVSTJZSA-N 2 1 348.535 3.379 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@]1(C)CC[N@@H+](CCCC(C)(C)C)C1 ZINC001484065389 1395228247 /nfs/dbraw/zinc/22/82/47/1395228247.db2.gz LOWGZZNMHFCGMX-FQEVSTJZSA-N 2 1 348.535 3.379 20 0 EGADMP CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001484142587 1395278464 /nfs/dbraw/zinc/27/84/64/1395278464.db2.gz WGNWESBIUXHPOR-GOSISDBHSA-N 2 1 337.552 3.127 20 0 EGADMP Cc1cccc(C)c1C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001484723113 1395486064 /nfs/dbraw/zinc/48/60/64/1395486064.db2.gz LTTWNROBPHCAHB-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1CC1CCCCC1 ZINC001484987612 1395631192 /nfs/dbraw/zinc/63/11/92/1395631192.db2.gz DCNZXQDQUOWHHL-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CN(CC[N@@H+](C)CC1CCC(C)(C)CC1)C(=O)C12CCC[NH+]1CCC2 ZINC001699002157 1406815482 /nfs/dbraw/zinc/81/54/82/1406815482.db2.gz HZTBLIZHUJAYSE-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)CCCn1ccnc1)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001494875811 1396504136 /nfs/dbraw/zinc/50/41/36/1396504136.db2.gz KOTWHDNIKCYDSR-LJQANCHMSA-N 2 1 346.519 3.166 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1c(C)cccc1C ZINC001699033466 1406872421 /nfs/dbraw/zinc/87/24/21/1406872421.db2.gz AOBMMNADQXCCPE-QUCCMNQESA-N 2 1 345.531 3.020 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001690458538 1404588755 /nfs/dbraw/zinc/58/87/55/1404588755.db2.gz DTKGMDMSVISDBS-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001690783205 1404730799 /nfs/dbraw/zinc/73/07/99/1404730799.db2.gz BIRYVPOEWWAHFR-PMACEKPBSA-N 2 1 345.531 3.162 20 0 EGADMP CC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)c1cccc(C)c1 ZINC001691045251 1404957777 /nfs/dbraw/zinc/95/77/77/1404957777.db2.gz ZPLQEJLEGDMCGC-IBGZPJMESA-N 2 1 345.531 3.226 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001691102885 1405042353 /nfs/dbraw/zinc/04/23/53/1405042353.db2.gz QTFXDGDPPZFVEP-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001691102885 1405042360 /nfs/dbraw/zinc/04/23/60/1405042360.db2.gz QTFXDGDPPZFVEP-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001691102885 1405042363 /nfs/dbraw/zinc/04/23/63/1405042363.db2.gz QTFXDGDPPZFVEP-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccccc1F ZINC001691500507 1405304783 /nfs/dbraw/zinc/30/47/83/1405304783.db2.gz PQTVFPOSRHMMRY-APWZRJJASA-N 2 1 349.494 3.198 20 0 EGADMP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001698586854 1406204343 /nfs/dbraw/zinc/20/43/43/1406204343.db2.gz DYYBJSLHOPFXNQ-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001698586854 1406204346 /nfs/dbraw/zinc/20/43/46/1406204346.db2.gz DYYBJSLHOPFXNQ-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001698586854 1406204347 /nfs/dbraw/zinc/20/43/47/1406204347.db2.gz DYYBJSLHOPFXNQ-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001732042442 1428274241 /nfs/dbraw/zinc/27/42/41/1428274241.db2.gz ULUCGVLAYZXRAU-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001732042442 1428274247 /nfs/dbraw/zinc/27/42/47/1428274247.db2.gz ULUCGVLAYZXRAU-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CCCC[N@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001699677422 1413072044 /nfs/dbraw/zinc/07/20/44/1413072044.db2.gz SCCZGLSGWGMAMQ-FQEVSTJZSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001699687204 1413087354 /nfs/dbraw/zinc/08/73/54/1413087354.db2.gz AQBXCAGANOFODU-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001699687204 1413087355 /nfs/dbraw/zinc/08/73/55/1413087355.db2.gz AQBXCAGANOFODU-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001699687204 1413087360 /nfs/dbraw/zinc/08/73/60/1413087360.db2.gz AQBXCAGANOFODU-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CC[C@@]3(CC[N@@H+](CCCC(C)(C)C)C3)C2)CC1 ZINC001699701450 1413114129 /nfs/dbraw/zinc/11/41/29/1413114129.db2.gz FCBBYUAREVFWPO-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@@H]1C ZINC001699736785 1413148324 /nfs/dbraw/zinc/14/83/24/1413148324.db2.gz GJBDQHUIMQDMAN-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@]1(C)CCC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001699877378 1413338325 /nfs/dbraw/zinc/33/83/25/1413338325.db2.gz WRKFJUWRYOOYBA-GHTZIAJQSA-N 2 1 345.531 3.308 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001699877378 1413338330 /nfs/dbraw/zinc/33/83/30/1413338330.db2.gz WRKFJUWRYOOYBA-GHTZIAJQSA-N 2 1 345.531 3.308 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001699877378 1413338334 /nfs/dbraw/zinc/33/83/34/1413338334.db2.gz WRKFJUWRYOOYBA-GHTZIAJQSA-N 2 1 345.531 3.308 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001700189075 1413615554 /nfs/dbraw/zinc/61/55/54/1413615554.db2.gz DDBMUENRPDDVPM-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001700189075 1413615557 /nfs/dbraw/zinc/61/55/57/1413615557.db2.gz DDBMUENRPDDVPM-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001700189075 1413615560 /nfs/dbraw/zinc/61/55/60/1413615560.db2.gz DDBMUENRPDDVPM-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001700189074 1413615836 /nfs/dbraw/zinc/61/58/36/1413615836.db2.gz DDBMUENRPDDVPM-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001700189074 1413615839 /nfs/dbraw/zinc/61/58/39/1413615839.db2.gz DDBMUENRPDDVPM-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001700189074 1413615842 /nfs/dbraw/zinc/61/58/42/1413615842.db2.gz DDBMUENRPDDVPM-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP Cc1ccc(C[N@H+](C)CCCN(C)C(=O)CC2CC[NH+](C)CC2)cc1 ZINC001700192955 1413625685 /nfs/dbraw/zinc/62/56/85/1413625685.db2.gz HWOXOXCMWPNUQA-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CCCC1CCC1 ZINC001700314441 1413771504 /nfs/dbraw/zinc/77/15/04/1413771504.db2.gz SZTLFWFXHBZMTN-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CCCC1CCC1 ZINC001700314441 1413771508 /nfs/dbraw/zinc/77/15/08/1413771508.db2.gz SZTLFWFXHBZMTN-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CCCC1CCC1 ZINC001700314441 1413771512 /nfs/dbraw/zinc/77/15/12/1413771512.db2.gz SZTLFWFXHBZMTN-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001700487723 1414135977 /nfs/dbraw/zinc/13/59/77/1414135977.db2.gz NQZFCGKHSRPTPB-IRXDYDNUSA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001700878081 1414533491 /nfs/dbraw/zinc/53/34/91/1414533491.db2.gz GKAHXWMDNRPZAG-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001700878083 1414533527 /nfs/dbraw/zinc/53/35/27/1414533527.db2.gz GKAHXWMDNRPZAG-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H]1C ZINC001700878793 1414534408 /nfs/dbraw/zinc/53/44/08/1414534408.db2.gz IFFWABSGCWBPQM-PKOBYXMFSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC001700878793 1414534411 /nfs/dbraw/zinc/53/44/11/1414534411.db2.gz IFFWABSGCWBPQM-PKOBYXMFSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC001700878793 1414534412 /nfs/dbraw/zinc/53/44/12/1414534412.db2.gz IFFWABSGCWBPQM-PKOBYXMFSA-N 2 1 337.552 3.410 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2c(C)cccc2C)C1 ZINC001701024367 1414686048 /nfs/dbraw/zinc/68/60/48/1414686048.db2.gz BEWKGRBQCYWWHH-UHFFFAOYSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1c(C)cccc1C ZINC001732632395 1428894364 /nfs/dbraw/zinc/89/43/64/1428894364.db2.gz XBBSGRGCHNRSEF-ICSRJNTNSA-N 2 1 345.531 3.020 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1c(C)cccc1C ZINC001732632396 1428894440 /nfs/dbraw/zinc/89/44/40/1428894440.db2.gz XBBSGRGCHNRSEF-QUCCMNQESA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001732974286 1429101045 /nfs/dbraw/zinc/10/10/45/1429101045.db2.gz KCVPVKFCEDUVRB-MRXNPFEDSA-N 2 1 334.508 3.071 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001733053675 1429194056 /nfs/dbraw/zinc/19/40/56/1429194056.db2.gz SJMGDGRZDRYOTP-ZWKOTPCHSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001733053675 1429194059 /nfs/dbraw/zinc/19/40/59/1429194059.db2.gz SJMGDGRZDRYOTP-ZWKOTPCHSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001733053675 1429194064 /nfs/dbraw/zinc/19/40/64/1429194064.db2.gz SJMGDGRZDRYOTP-ZWKOTPCHSA-N 2 1 347.547 3.470 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001713254463 1417851453 /nfs/dbraw/zinc/85/14/53/1417851453.db2.gz RMFYEYCAPDRCPU-IBGZPJMESA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001713254463 1417851455 /nfs/dbraw/zinc/85/14/55/1417851455.db2.gz RMFYEYCAPDRCPU-IBGZPJMESA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001713254463 1417851461 /nfs/dbraw/zinc/85/14/61/1417851461.db2.gz RMFYEYCAPDRCPU-IBGZPJMESA-N 2 1 337.552 3.412 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001713792452 1418610911 /nfs/dbraw/zinc/61/09/11/1418610911.db2.gz UOIAXYPIEQDQAS-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001713913104 1418709364 /nfs/dbraw/zinc/70/93/64/1418709364.db2.gz TWSBMTULCGASRG-HSALFYBXSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001713913104 1418709365 /nfs/dbraw/zinc/70/93/65/1418709365.db2.gz TWSBMTULCGASRG-HSALFYBXSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001713913104 1418709366 /nfs/dbraw/zinc/70/93/66/1418709366.db2.gz TWSBMTULCGASRG-HSALFYBXSA-N 2 1 343.515 3.155 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001713917218 1418711930 /nfs/dbraw/zinc/71/19/30/1418711930.db2.gz HSFKRIPVIXQWSZ-KRWDZBQOSA-N 2 1 345.531 3.082 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@H+]2CC2CCCCC2)CCC1 ZINC001714106933 1418906740 /nfs/dbraw/zinc/90/67/40/1418906740.db2.gz DJHXCYJCKKCVMU-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC001714283378 1419063150 /nfs/dbraw/zinc/06/31/50/1419063150.db2.gz FUQZWNMKFCDRFK-IRXDYDNUSA-N 2 1 342.487 3.136 20 0 EGADMP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001714305234 1419084958 /nfs/dbraw/zinc/08/49/58/1419084958.db2.gz NOMPNTDPFMLTFI-IYARVYRRSA-N 2 1 337.552 3.314 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001714412267 1419151003 /nfs/dbraw/zinc/15/10/03/1419151003.db2.gz PGPMQNFCVGAYLX-RTBURBONSA-N 2 1 337.552 3.316 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)c1 ZINC001714564928 1419293201 /nfs/dbraw/zinc/29/32/01/1419293201.db2.gz OENXDMPZFJLERR-AZUAARDMSA-N 2 1 345.531 3.367 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)c1 ZINC001714564928 1419293202 /nfs/dbraw/zinc/29/32/02/1419293202.db2.gz OENXDMPZFJLERR-AZUAARDMSA-N 2 1 345.531 3.367 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CC/C=C/c1ccccc1 ZINC001714572673 1419306196 /nfs/dbraw/zinc/30/61/96/1419306196.db2.gz QOFRGOQKORKFMO-NBSXQYNISA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)CC/C=C/c1ccccc1 ZINC001714572673 1419306201 /nfs/dbraw/zinc/30/62/01/1419306201.db2.gz QOFRGOQKORKFMO-NBSXQYNISA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@H](C)c1cccc(F)c1 ZINC001714653675 1419433005 /nfs/dbraw/zinc/43/30/05/1419433005.db2.gz CHMLDRXKUSAEAT-MRXNPFEDSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001715034085 1419768031 /nfs/dbraw/zinc/76/80/31/1419768031.db2.gz YMMISCQSAVOTEG-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001715034085 1419768034 /nfs/dbraw/zinc/76/80/34/1419768034.db2.gz YMMISCQSAVOTEG-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001715034085 1419768037 /nfs/dbraw/zinc/76/80/37/1419768037.db2.gz YMMISCQSAVOTEG-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001715044307 1419784668 /nfs/dbraw/zinc/78/46/68/1419784668.db2.gz OKNMPIHLSVIZGU-RBUKOAKNSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC2(C[NH+](CCCC(C)(C)C)C2)CC1 ZINC001715317417 1420026241 /nfs/dbraw/zinc/02/62/41/1420026241.db2.gz PGTJUEHBPLZCII-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[N@H+](C)CCC1CCCC1 ZINC001716497204 1420721681 /nfs/dbraw/zinc/72/16/81/1420721681.db2.gz JBUCUBPOANBAOT-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[N@@H+](C)CCC1CCCC1 ZINC001716497204 1420721683 /nfs/dbraw/zinc/72/16/83/1420721683.db2.gz JBUCUBPOANBAOT-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP C[C@H](C[N@@H+](C)[C@H](C)c1ccccc1F)NC(=O)CCC[NH+]1CCCC1 ZINC001716508846 1420740668 /nfs/dbraw/zinc/74/06/68/1420740668.db2.gz RCNMVDKKXKDMKS-IAGOWNOFSA-N 2 1 349.494 3.199 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001716843508 1420970003 /nfs/dbraw/zinc/97/00/03/1420970003.db2.gz OBTHXPWZMIUMOE-LAUBAEHRSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001716843508 1420970006 /nfs/dbraw/zinc/97/00/06/1420970006.db2.gz OBTHXPWZMIUMOE-LAUBAEHRSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001716843508 1420970009 /nfs/dbraw/zinc/97/00/09/1420970009.db2.gz OBTHXPWZMIUMOE-LAUBAEHRSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001717485314 1421421479 /nfs/dbraw/zinc/42/14/79/1421421479.db2.gz JVRCIPDDRDZSGZ-IAGOWNOFSA-N 2 1 345.531 3.015 20 0 EGADMP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)[C@@H](C)c1ccccc1F ZINC001717493246 1421432338 /nfs/dbraw/zinc/43/23/38/1421432338.db2.gz TYVKRFWQBNPMKG-SJORKVTESA-N 2 1 349.494 3.055 20 0 EGADMP CCCC[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001717628836 1421537714 /nfs/dbraw/zinc/53/77/14/1421537714.db2.gz GLBQIAMJWJKFTQ-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CCCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001717628836 1421537716 /nfs/dbraw/zinc/53/77/16/1421537716.db2.gz GLBQIAMJWJKFTQ-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CCCC2(CN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001717628836 1421537720 /nfs/dbraw/zinc/53/77/20/1421537720.db2.gz GLBQIAMJWJKFTQ-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)cc1C ZINC001717741508 1421605081 /nfs/dbraw/zinc/60/50/81/1421605081.db2.gz SOENUXJARSNLLI-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001717886035 1421688302 /nfs/dbraw/zinc/68/83/02/1421688302.db2.gz YMVQCOVGKLMRSZ-MOPGFXCFSA-N 2 1 337.552 3.173 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCCCC1)C1CCC1 ZINC001723906593 1424602909 /nfs/dbraw/zinc/60/29/09/1424602909.db2.gz UBVOAOPSKMASFB-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001724833115 1425179224 /nfs/dbraw/zinc/17/92/24/1425179224.db2.gz BASVHOXXXLRPQR-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001725244076 1425857180 /nfs/dbraw/zinc/85/71/80/1425857180.db2.gz XDXYLLLOIGRERJ-RBUKOAKNSA-N 2 1 339.568 3.370 20 0 EGADMP CCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001731387107 1427334242 /nfs/dbraw/zinc/33/42/42/1427334242.db2.gz FVEIYICGAWAALL-LMDPOFIKSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1C/C=C\c1ccccc1 ZINC001731543947 1427559715 /nfs/dbraw/zinc/55/97/15/1427559715.db2.gz OXDHCMUWGQMVRR-DBBZSVRUSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1 ZINC001731543947 1427559717 /nfs/dbraw/zinc/55/97/17/1427559717.db2.gz OXDHCMUWGQMVRR-DBBZSVRUSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1C/C=C\c1ccccc1 ZINC001731543947 1427559718 /nfs/dbraw/zinc/55/97/18/1427559718.db2.gz OXDHCMUWGQMVRR-DBBZSVRUSA-N 2 1 343.515 3.012 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001733599537 1429800802 /nfs/dbraw/zinc/80/08/02/1429800802.db2.gz OBMZDWRWKSTJCT-OTWHNJEPSA-N 2 1 337.552 3.218 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC001733771331 1430003689 /nfs/dbraw/zinc/00/36/89/1430003689.db2.gz XHHLRWNDZXVDMO-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001733771331 1430003698 /nfs/dbraw/zinc/00/36/98/1430003698.db2.gz XHHLRWNDZXVDMO-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001733771331 1430003702 /nfs/dbraw/zinc/00/37/02/1430003702.db2.gz XHHLRWNDZXVDMO-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[C@@H](C(=O)NCc1ccc2c(c1)C[N@H+](CC(C)C)C2)[NH+](CC)CC ZINC001733836264 1430109216 /nfs/dbraw/zinc/10/92/16/1430109216.db2.gz SUIWNSNSQARRIF-FQEVSTJZSA-N 2 1 345.531 3.395 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CCCC1CCCC1 ZINC001733902125 1437720521 /nfs/dbraw/zinc/72/05/21/1437720521.db2.gz SYSJEHKMSWAKHD-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)[C@H](C)c2ccccc2)CC1 ZINC001734274805 1438008937 /nfs/dbraw/zinc/00/89/37/1438008937.db2.gz RUCJTGWFXODFKL-QGZVFWFLSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001734274805 1438008939 /nfs/dbraw/zinc/00/89/39/1438008939.db2.gz RUCJTGWFXODFKL-QGZVFWFLSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001734274805 1438008941 /nfs/dbraw/zinc/00/89/41/1438008941.db2.gz RUCJTGWFXODFKL-QGZVFWFLSA-N 2 1 331.504 3.012 20 0 EGADMP Cc1ccc(C[N@H+](C)C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001752517740 1440191691 /nfs/dbraw/zinc/19/16/91/1440191691.db2.gz KDVRTRRREKGQJA-FQEVSTJZSA-N 2 1 345.531 3.007 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)CCC2=CCCCC2)C1 ZINC001752527232 1440193205 /nfs/dbraw/zinc/19/32/05/1440193205.db2.gz JTEHRIIEWFZBSY-FQEVSTJZSA-N 2 1 349.563 3.389 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)CCC2=CCCCC2)C1 ZINC001752527232 1440193206 /nfs/dbraw/zinc/19/32/06/1440193206.db2.gz JTEHRIIEWFZBSY-FQEVSTJZSA-N 2 1 349.563 3.389 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](C[N@@H+](C)CCC2=CCCCC2)C1 ZINC001752527232 1440193207 /nfs/dbraw/zinc/19/32/07/1440193207.db2.gz JTEHRIIEWFZBSY-FQEVSTJZSA-N 2 1 349.563 3.389 20 0 EGADMP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001752654854 1440198235 /nfs/dbraw/zinc/19/82/35/1440198235.db2.gz DYDJXLUMLRSFOF-LSTDLKDCSA-N 2 1 335.536 3.066 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001752709184 1440203335 /nfs/dbraw/zinc/20/33/35/1440203335.db2.gz ZRMAEFOFCZCRDG-BGEOSOQGSA-N 2 1 349.563 3.388 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001752800011 1440214947 /nfs/dbraw/zinc/21/49/47/1440214947.db2.gz OPZJOTHKVXWLQM-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCC[N@H+]1CCC1CCCCC1 ZINC001752824591 1440222845 /nfs/dbraw/zinc/22/28/45/1440222845.db2.gz AKWKWAFGRJRLHS-IBGZPJMESA-N 2 1 335.536 3.023 20 0 EGADMP CC(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001752824990 1440223272 /nfs/dbraw/zinc/22/32/72/1440223272.db2.gz JKJZLEWSTDJZTM-WOJBJXKFSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001752824990 1440223273 /nfs/dbraw/zinc/22/32/73/1440223273.db2.gz JKJZLEWSTDJZTM-WOJBJXKFSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC)c1ccccc1 ZINC001752831054 1440225357 /nfs/dbraw/zinc/22/53/57/1440225357.db2.gz YXJZOQXQIWDMIU-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001752845812 1440232306 /nfs/dbraw/zinc/23/23/06/1440232306.db2.gz AAMOKTNHHPRCFL-MIIYPZDFSA-N 2 1 347.547 3.044 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CCC([NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001752853674 1440234300 /nfs/dbraw/zinc/23/43/00/1440234300.db2.gz PAVYSSHNFMRAQA-UHFFFAOYSA-N 2 1 345.531 3.162 20 0 EGADMP CCC/C=C\CC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001752900662 1440242825 /nfs/dbraw/zinc/24/28/25/1440242825.db2.gz JZADCCNWCGKVRO-BUFKOALHSA-N 2 1 341.515 3.040 20 0 EGADMP C[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH2+]CCC1CCCCC1 ZINC001752921635 1440248685 /nfs/dbraw/zinc/24/86/85/1440248685.db2.gz WBPNWUVJJCQNFJ-XLIONFOSSA-N 2 1 345.531 3.354 20 0 EGADMP C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH2+]CCC1CCCCC1 ZINC001752921636 1440248787 /nfs/dbraw/zinc/24/87/87/1440248787.db2.gz WBPNWUVJJCQNFJ-YLJYHZDGSA-N 2 1 345.531 3.354 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001753027307 1440271894 /nfs/dbraw/zinc/27/18/94/1440271894.db2.gz IEGZPPQXYFJOOL-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001753027307 1440271895 /nfs/dbraw/zinc/27/18/95/1440271895.db2.gz IEGZPPQXYFJOOL-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001753027307 1440271896 /nfs/dbraw/zinc/27/18/96/1440271896.db2.gz IEGZPPQXYFJOOL-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)[C@H](C)c1cc(C)ccc1C ZINC001753083642 1440295183 /nfs/dbraw/zinc/29/51/83/1440295183.db2.gz MHJKAXCGIKFGAQ-GOSISDBHSA-N 2 1 345.531 3.287 20 0 EGADMP CC[NH+](CCNC(=O)C[N@H+](C)C1CCC1)[C@H](C)c1cc(C)ccc1C ZINC001753083642 1440295184 /nfs/dbraw/zinc/29/51/84/1440295184.db2.gz MHJKAXCGIKFGAQ-GOSISDBHSA-N 2 1 345.531 3.287 20 0 EGADMP CC[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)[C@H](C)c1cc(C)ccc1C ZINC001753083642 1440295185 /nfs/dbraw/zinc/29/51/85/1440295185.db2.gz MHJKAXCGIKFGAQ-GOSISDBHSA-N 2 1 345.531 3.287 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1F)[NH+](CC)CC ZINC001753112243 1440309176 /nfs/dbraw/zinc/30/91/76/1440309176.db2.gz YPKQKEFITOWMKS-HKUYNNGSSA-N 2 1 349.494 3.027 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1F)[NH+](CC)CC ZINC001753112243 1440309177 /nfs/dbraw/zinc/30/91/77/1440309177.db2.gz YPKQKEFITOWMKS-HKUYNNGSSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1cccc(F)c1 ZINC001753143416 1440322925 /nfs/dbraw/zinc/32/29/25/1440322925.db2.gz RKNHCYBWOCRGBW-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)Cc1cccc(F)c1 ZINC001753143416 1440322926 /nfs/dbraw/zinc/32/29/26/1440322926.db2.gz RKNHCYBWOCRGBW-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)Cc1cccc(F)c1 ZINC001753143416 1440322927 /nfs/dbraw/zinc/32/29/27/1440322927.db2.gz RKNHCYBWOCRGBW-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001753146020 1440324393 /nfs/dbraw/zinc/32/43/93/1440324393.db2.gz FAXIFIBAZVHVTA-CEXWTWQISA-N 2 1 349.563 3.125 20 0 EGADMP CN(CC[NH2+]CCC(C)(C)C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001753217065 1440339735 /nfs/dbraw/zinc/33/97/35/1440339735.db2.gz SMYYAAISNQZCOL-UHFFFAOYSA-N 2 1 325.541 3.125 20 0 EGADMP CCCC[N@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001753331438 1440369768 /nfs/dbraw/zinc/36/97/68/1440369768.db2.gz UDKBZKQNXGSCCO-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC[C@H](CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001753331438 1440369769 /nfs/dbraw/zinc/36/97/69/1440369769.db2.gz UDKBZKQNXGSCCO-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC[C@H](CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001753331438 1440369770 /nfs/dbraw/zinc/36/97/70/1440369770.db2.gz UDKBZKQNXGSCCO-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001753341123 1440375611 /nfs/dbraw/zinc/37/56/11/1440375611.db2.gz RCHXZNBVIZHNNP-IAGOWNOFSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001753341123 1440375612 /nfs/dbraw/zinc/37/56/12/1440375612.db2.gz RCHXZNBVIZHNNP-IAGOWNOFSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001753341123 1440375613 /nfs/dbraw/zinc/37/56/13/1440375613.db2.gz RCHXZNBVIZHNNP-IAGOWNOFSA-N 2 1 349.494 3.055 20 0 EGADMP CCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001753361023 1440382660 /nfs/dbraw/zinc/38/26/60/1440382660.db2.gz VAGIPEKINBRJSC-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[N@H+](C)CCCC(C)(C)C)CC1 ZINC001753367228 1440385938 /nfs/dbraw/zinc/38/59/38/1440385938.db2.gz BFLUQFYYJZPTKK-UHFFFAOYSA-N 2 1 348.535 3.188 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[N@@H+](C)CCCC(C)(C)C)CC1 ZINC001753367228 1440385939 /nfs/dbraw/zinc/38/59/39/1440385939.db2.gz BFLUQFYYJZPTKK-UHFFFAOYSA-N 2 1 348.535 3.188 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001753459484 1440409953 /nfs/dbraw/zinc/40/99/53/1440409953.db2.gz OFMMXTHVOWYULI-AZUAARDMSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](CC)[NH2+]CC2=CCCCC2)C1 ZINC001753484097 1440417352 /nfs/dbraw/zinc/41/73/52/1440417352.db2.gz MSRVRERBHWWYNW-MOPGFXCFSA-N 2 1 335.536 3.093 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@@](C)(C[NH2+]CCC2CCCCC2)C2CC2)C1 ZINC001753527995 1440430202 /nfs/dbraw/zinc/43/02/02/1440430202.db2.gz KKXYYWWSFFLOJO-NQIIRXRSSA-N 2 1 349.563 3.173 20 0 EGADMP Cc1cccc(C[NH+]2CCC(CCNC(=O)C[N@H+](C)C(C)C)CC2)c1 ZINC001753599727 1440446109 /nfs/dbraw/zinc/44/61/09/1440446109.db2.gz KIQZOACEQTVPKH-UHFFFAOYSA-N 2 1 345.531 3.054 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001753612556 1440449229 /nfs/dbraw/zinc/44/92/29/1440449229.db2.gz HXAYCLFCWIWNPP-HKUYNNGSSA-N 2 1 337.552 3.172 20 0 EGADMP O=C(NCC1([NH2+]CCC2CC2)CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001753664242 1440459712 /nfs/dbraw/zinc/45/97/12/1440459712.db2.gz RKWQDXDGPOZCRA-IBGZPJMESA-N 2 1 347.547 3.212 20 0 EGADMP CC[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001753701838 1440468686 /nfs/dbraw/zinc/46/86/86/1440468686.db2.gz SGJUYEKMVGKJIF-HOTGVXAUSA-N 2 1 325.541 3.122 20 0 EGADMP CC(C)C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001753739028 1440478627 /nfs/dbraw/zinc/47/86/27/1440478627.db2.gz VDCVNOYZAHLGIW-IHPCNDPISA-N 2 1 345.531 3.037 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC001753786597 1440488185 /nfs/dbraw/zinc/48/81/85/1440488185.db2.gz RJMSIHSJIFVENH-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP CC(C)[N@@H+](C)CCC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001753821775 1440496507 /nfs/dbraw/zinc/49/65/07/1440496507.db2.gz QSZRZIUJBHECHP-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H](C[N@@H+](C)CCCC(C)(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001754315998 1440575466 /nfs/dbraw/zinc/57/54/66/1440575466.db2.gz LUMOXKCOPZUHQR-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001754452638 1440601496 /nfs/dbraw/zinc/60/14/96/1440601496.db2.gz HAWCQOOUQKLIRC-RTBURBONSA-N 2 1 349.563 3.170 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC=C(C)C)C2)[NH+](CC)CC ZINC001754557221 1440632037 /nfs/dbraw/zinc/63/20/37/1440632037.db2.gz NIQILPUOHSVGDW-PZJWPPBQSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001754557153 1440632151 /nfs/dbraw/zinc/63/21/51/1440632151.db2.gz MZUPYYWDIWZNEY-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001754558214 1440632490 /nfs/dbraw/zinc/63/24/90/1440632490.db2.gz ZRIGEVSNNKXHSL-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001754558214 1440632491 /nfs/dbraw/zinc/63/24/91/1440632491.db2.gz ZRIGEVSNNKXHSL-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001754558214 1440632492 /nfs/dbraw/zinc/63/24/92/1440632492.db2.gz ZRIGEVSNNKXHSL-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)C[C@@H]1C ZINC001754604876 1440642974 /nfs/dbraw/zinc/64/29/74/1440642974.db2.gz SHFNNYYHXSTOBE-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CC(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001754617220 1440644715 /nfs/dbraw/zinc/64/47/15/1440644715.db2.gz IUWDDIQEDHBXNT-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001754619534 1440645084 /nfs/dbraw/zinc/64/50/84/1440645084.db2.gz AMUNIKQXWROZSD-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C)CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001754631183 1440647784 /nfs/dbraw/zinc/64/77/84/1440647784.db2.gz LEPKRTLVTCTGQI-GOSISDBHSA-N 2 1 345.531 3.369 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)(C)C ZINC001754660452 1440654713 /nfs/dbraw/zinc/65/47/13/1440654713.db2.gz XLXALMWOCJNUNL-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)(C)C ZINC001754660452 1440654714 /nfs/dbraw/zinc/65/47/14/1440654714.db2.gz XLXALMWOCJNUNL-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C ZINC001754660452 1440654715 /nfs/dbraw/zinc/65/47/15/1440654715.db2.gz XLXALMWOCJNUNL-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@]1(C)CC[N@H+](CCCC2CCC2)C1 ZINC001754680565 1440662300 /nfs/dbraw/zinc/66/23/00/1440662300.db2.gz PFDPWQFFTZBLLO-FQEVSTJZSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@]1(C)CC[N@@H+](CCCC2CCC2)C1 ZINC001754680565 1440662301 /nfs/dbraw/zinc/66/23/01/1440662301.db2.gz PFDPWQFFTZBLLO-FQEVSTJZSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001754866959 1440703236 /nfs/dbraw/zinc/70/32/36/1440703236.db2.gz GCCXKXHTRYMPRD-VNTMZGSJSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001754866959 1440703237 /nfs/dbraw/zinc/70/32/37/1440703237.db2.gz GCCXKXHTRYMPRD-VNTMZGSJSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001754866959 1440703238 /nfs/dbraw/zinc/70/32/38/1440703238.db2.gz GCCXKXHTRYMPRD-VNTMZGSJSA-N 2 1 349.563 3.218 20 0 EGADMP CC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001754961695 1440717819 /nfs/dbraw/zinc/71/78/19/1440717819.db2.gz CRJMQGDXCYDWCO-VOFKWLDRSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCC1 ZINC001754988022 1440723421 /nfs/dbraw/zinc/72/34/21/1440723421.db2.gz OOXSZDPEBPJBQM-QZTJIDSGSA-N 2 1 335.536 3.068 20 0 EGADMP O=C(NCC1([NH2+]CCC2CCCC2)CCC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001754988237 1440723506 /nfs/dbraw/zinc/72/35/06/1440723506.db2.gz WGXUFTDLJCVNBV-OALUTQOASA-N 2 1 347.547 3.212 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001755024681 1440728170 /nfs/dbraw/zinc/72/81/70/1440728170.db2.gz GILPZKBVAUONQF-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001755024681 1440728171 /nfs/dbraw/zinc/72/81/71/1440728171.db2.gz GILPZKBVAUONQF-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001755024681 1440728172 /nfs/dbraw/zinc/72/81/72/1440728172.db2.gz GILPZKBVAUONQF-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001755024562 1440728227 /nfs/dbraw/zinc/72/82/27/1440728227.db2.gz CRYPFVPQHZDYKP-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001755024562 1440728228 /nfs/dbraw/zinc/72/82/28/1440728228.db2.gz CRYPFVPQHZDYKP-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001755024562 1440728229 /nfs/dbraw/zinc/72/82/29/1440728229.db2.gz CRYPFVPQHZDYKP-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)CC1)C1CCC1 ZINC001755025598 1440728744 /nfs/dbraw/zinc/72/87/44/1440728744.db2.gz XMTCTHCEJWTNBS-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)CC1)C1CCC1 ZINC001755025598 1440728745 /nfs/dbraw/zinc/72/87/45/1440728745.db2.gz XMTCTHCEJWTNBS-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)CC1)C1CCC1 ZINC001755025598 1440728746 /nfs/dbraw/zinc/72/87/46/1440728746.db2.gz XMTCTHCEJWTNBS-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001755027591 1440729702 /nfs/dbraw/zinc/72/97/02/1440729702.db2.gz CHMJGWZAQGYSAO-LJQANCHMSA-N 2 1 345.531 3.232 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001755030333 1440731217 /nfs/dbraw/zinc/73/12/17/1440731217.db2.gz XZNPWCWQHSFAEU-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001755030333 1440731218 /nfs/dbraw/zinc/73/12/18/1440731218.db2.gz XZNPWCWQHSFAEU-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001755030333 1440731219 /nfs/dbraw/zinc/73/12/19/1440731219.db2.gz XZNPWCWQHSFAEU-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001755034435 1440733489 /nfs/dbraw/zinc/73/34/89/1440733489.db2.gz RAKWKKLTVWCDDJ-OALUTQOASA-N 2 1 345.531 3.367 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001755034435 1440733490 /nfs/dbraw/zinc/73/34/90/1440733490.db2.gz RAKWKKLTVWCDDJ-OALUTQOASA-N 2 1 345.531 3.367 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001755034435 1440733491 /nfs/dbraw/zinc/73/34/91/1440733491.db2.gz RAKWKKLTVWCDDJ-OALUTQOASA-N 2 1 345.531 3.367 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001755043323 1440738827 /nfs/dbraw/zinc/73/88/27/1440738827.db2.gz RWZGIUNIKPIHOK-IAGOWNOFSA-N 2 1 349.494 3.009 20 0 EGADMP C[C@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001755043323 1440738828 /nfs/dbraw/zinc/73/88/28/1440738828.db2.gz RWZGIUNIKPIHOK-IAGOWNOFSA-N 2 1 349.494 3.009 20 0 EGADMP C[C@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001755043323 1440738829 /nfs/dbraw/zinc/73/88/29/1440738829.db2.gz RWZGIUNIKPIHOK-IAGOWNOFSA-N 2 1 349.494 3.009 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001755043346 1440738833 /nfs/dbraw/zinc/73/88/33/1440738833.db2.gz SNIWQPJOKFDENV-QUCCMNQESA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001755043346 1440738834 /nfs/dbraw/zinc/73/88/34/1440738834.db2.gz SNIWQPJOKFDENV-QUCCMNQESA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001755043346 1440738835 /nfs/dbraw/zinc/73/88/35/1440738835.db2.gz SNIWQPJOKFDENV-QUCCMNQESA-N 2 1 345.531 3.260 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[C@@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)CC1 ZINC001755079313 1440750242 /nfs/dbraw/zinc/75/02/42/1440750242.db2.gz HYALWWBPFAVMBM-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001755130970 1440757127 /nfs/dbraw/zinc/75/71/27/1440757127.db2.gz YGUIYYAVCMEBQT-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001755142690 1440761622 /nfs/dbraw/zinc/76/16/22/1440761622.db2.gz DNIFJEKSAZAUGJ-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001755197011 1440777463 /nfs/dbraw/zinc/77/74/63/1440777463.db2.gz DYAOTVCJSIKWGS-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CCC(C)(C)C)[NH+](CC)CC ZINC001755198802 1440778514 /nfs/dbraw/zinc/77/85/14/1440778514.db2.gz HRLNKTHADZVLJB-MSOLQXFVSA-N 2 1 339.568 3.466 20 0 EGADMP CCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001755201058 1440779647 /nfs/dbraw/zinc/77/96/47/1440779647.db2.gz OYXKTEHJPXROSJ-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001755209096 1440782753 /nfs/dbraw/zinc/78/27/53/1440782753.db2.gz IJPIVBCDHGXMJT-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)NC[C@@H]1CCCCC[N@H+]1CC1CCC1 ZINC001755368933 1440836410 /nfs/dbraw/zinc/83/64/10/1440836410.db2.gz YFLGPXYHRBYMKR-FQEVSTJZSA-N 2 1 349.563 3.413 20 0 EGADMP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001755382427 1440839716 /nfs/dbraw/zinc/83/97/16/1440839716.db2.gz NUBBVXIZIGXVMU-QGZVFWFLSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001755390480 1440841901 /nfs/dbraw/zinc/84/19/01/1440841901.db2.gz SCJWMWKECXPYTN-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](C)CCC(=O)N[C@H]1C[N@@H+](CCC2CCCCCC2)CC1(C)C ZINC001755413971 1440847826 /nfs/dbraw/zinc/84/78/26/1440847826.db2.gz NGOZYYOQTYYTCL-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@@H]2C1 ZINC001755453590 1440854535 /nfs/dbraw/zinc/85/45/35/1440854535.db2.gz QOAPFQXWGSFSOD-HSALFYBXSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001755482205 1440860336 /nfs/dbraw/zinc/86/03/36/1440860336.db2.gz MGJUAQPOHARUJM-IYARVYRRSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)[C@@H](CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2)[NH2+]CCC1CCCC1 ZINC001755552425 1440872411 /nfs/dbraw/zinc/87/24/11/1440872411.db2.gz LPXYFNNIMLYJRN-CTNGQTDRSA-N 2 1 349.563 3.173 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@@H](C[NH2+]CCCC2CCC2)C2CC2)CC[N@H+]1C ZINC001755566283 1440875946 /nfs/dbraw/zinc/87/59/46/1440875946.db2.gz QCDIMXCXZRZDPC-VDGAXYAQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755588263 1440880826 /nfs/dbraw/zinc/88/08/26/1440880826.db2.gz VNZFTNUKYFTXGN-ROUUACIJSA-N 2 1 335.536 3.044 20 0 EGADMP CCc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)c1 ZINC001755619068 1440890019 /nfs/dbraw/zinc/89/00/19/1440890019.db2.gz TXJYLPNHUXJCEO-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C)cc1 ZINC001755665480 1440893310 /nfs/dbraw/zinc/89/33/10/1440893310.db2.gz WZALGBQFGSJORV-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001755686195 1440895941 /nfs/dbraw/zinc/89/59/41/1440895941.db2.gz HTIFMJUXNKMMPP-AEFFLSMTSA-N 2 1 335.536 3.044 20 0 EGADMP CCCC[N@@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3CC)CCC[C@H]12 ZINC001755701245 1440900231 /nfs/dbraw/zinc/90/02/31/1440900231.db2.gz JTBJXWHVTQIZCL-FUHIMQAGSA-N 2 1 346.519 3.310 20 0 EGADMP CCCC[N@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3CC)CCC[C@H]12 ZINC001755701245 1440900232 /nfs/dbraw/zinc/90/02/32/1440900232.db2.gz JTBJXWHVTQIZCL-FUHIMQAGSA-N 2 1 346.519 3.310 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2 ZINC001755704838 1440902022 /nfs/dbraw/zinc/90/20/22/1440902022.db2.gz QVWVILBCIUDYFB-UYAOXDASSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1cccc(C)c1C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001755749610 1440913029 /nfs/dbraw/zinc/91/30/29/1440913029.db2.gz LPXUNBCXDCWTRP-OALUTQOASA-N 2 1 345.531 3.018 20 0 EGADMP CC(C)CC[N@@H+](C)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C(C)C ZINC001755815390 1440923288 /nfs/dbraw/zinc/92/32/88/1440923288.db2.gz JRXPPJKSEHFHHN-QZTJIDSGSA-N 2 1 325.541 3.074 20 0 EGADMP Cc1ccc(C)c(C[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C)c1 ZINC001755839327 1440931260 /nfs/dbraw/zinc/93/12/60/1440931260.db2.gz JYBCGRIZSKSVED-LJQANCHMSA-N 2 1 347.547 3.264 20 0 EGADMP CCCCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001755849039 1440934463 /nfs/dbraw/zinc/93/44/63/1440934463.db2.gz VVEGVGNJMJNVGG-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1(C2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001755869585 1440938787 /nfs/dbraw/zinc/93/87/87/1440938787.db2.gz KUCAYUXWNBTBPM-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)nc1 ZINC001164619555 719124404 /nfs/dbraw/zinc/12/44/04/719124404.db2.gz FERNKCYRKSYTNA-FGTMMUONSA-N 2 1 346.494 3.142 20 0 EGADMP Cc1[nH+]c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc2[nH]ccc21 ZINC001164727638 720425090 /nfs/dbraw/zinc/42/50/90/720425090.db2.gz DTHZDVMKXBQQKD-RTBURBONSA-N 2 1 333.439 3.120 20 0 EGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCc2[nH]cnc21)c1ccccc1 ZINC000368453313 168357610 /nfs/dbraw/zinc/35/76/10/168357610.db2.gz FRWACOKGSPZLTE-HOCLYGCPSA-N 2 1 340.471 3.075 20 0 EGADMP COC[C@]1(C[NH2+][C@H](C)Cc2c(Cl)cccc2Cl)CCC[NH2+]1 ZINC000414961352 309111596 /nfs/dbraw/zinc/11/15/96/309111596.db2.gz VEBPECNGTPVFNC-MLGOLLRUSA-N 2 1 331.287 3.283 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000269300304 283187990 /nfs/dbraw/zinc/18/79/90/283187990.db2.gz XJKLHHISMCDCLR-VQIMIIECSA-N 2 1 331.504 3.118 20 0 EGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2cccs2)C2CCCC2)C1 ZINC000357780471 283319391 /nfs/dbraw/zinc/31/93/91/283319391.db2.gz VXXNFYMPPQPKMS-SJLPKXTDSA-N 2 1 349.544 3.156 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)NC(C)(C)C ZINC000079303716 299323891 /nfs/dbraw/zinc/32/38/91/299323891.db2.gz NHZGFLJWRVSLNJ-SJORKVTESA-N 2 1 345.531 3.311 20 0 EGADMP COC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000192444317 201053704 /nfs/dbraw/zinc/05/37/04/201053704.db2.gz FSPOWDHMLWGCHB-CMTQZCSUSA-N 2 1 344.499 3.361 20 0 EGADMP COC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000192444317 201053707 /nfs/dbraw/zinc/05/37/07/201053707.db2.gz FSPOWDHMLWGCHB-CMTQZCSUSA-N 2 1 344.499 3.361 20 0 EGADMP CCOC(=O)C1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000237162417 201148975 /nfs/dbraw/zinc/14/89/75/201148975.db2.gz IZGIQRRIUUOGGH-UHFFFAOYSA-N 2 1 344.499 3.363 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272209591 201248487 /nfs/dbraw/zinc/24/84/87/201248487.db2.gz PZCONSSUSVHLAL-AEFFLSMTSA-N 2 1 347.503 3.011 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272209593 201249524 /nfs/dbraw/zinc/24/95/24/201249524.db2.gz PZCONSSUSVHLAL-SJLPKXTDSA-N 2 1 347.503 3.011 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272332332 201251256 /nfs/dbraw/zinc/25/12/56/201251256.db2.gz NEORSPMJMRHIHI-BXWFABGCSA-N 2 1 326.488 3.290 20 0 EGADMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272668543 201252143 /nfs/dbraw/zinc/25/21/43/201252143.db2.gz OVGFCDFZZOJCOS-MJUUVYJYSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H](N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272668543 201252146 /nfs/dbraw/zinc/25/21/46/201252146.db2.gz OVGFCDFZZOJCOS-MJUUVYJYSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H](N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272668543 201252147 /nfs/dbraw/zinc/25/21/47/201252147.db2.gz OVGFCDFZZOJCOS-MJUUVYJYSA-N 2 1 327.516 3.113 20 0 EGADMP Cc1cc(C)n(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000274852137 201272130 /nfs/dbraw/zinc/27/21/30/201272130.db2.gz REIDNKXTSAXMOZ-UZLBHIALSA-N 2 1 326.488 3.000 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000236655186 242307696 /nfs/dbraw/zinc/30/76/96/242307696.db2.gz IACDGFBRZYTGCY-FQEVSTJZSA-N 2 1 339.483 3.233 20 0 EGADMP C[C@@H](C[NH2+]Cc1ccccc1OCc1cccnc1)C[NH+]1CCCC1 ZINC000069752094 203045801 /nfs/dbraw/zinc/04/58/01/203045801.db2.gz NNGUWPFKFLMQTH-SFHVURJKSA-N 2 1 339.483 3.482 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCSc2ccccc2)CC1 ZINC000071910850 203147702 /nfs/dbraw/zinc/14/77/02/203147702.db2.gz GRGZZLUWUCKTJI-KDURUIRLSA-N 2 1 347.572 3.269 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCSc2ccccc2)CC1 ZINC000071910850 203147706 /nfs/dbraw/zinc/14/77/06/203147706.db2.gz GRGZZLUWUCKTJI-KDURUIRLSA-N 2 1 347.572 3.269 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)CC[N@H+]1C ZINC000129301766 205188622 /nfs/dbraw/zinc/18/86/22/205188622.db2.gz LKDZVCHBENTKJL-BBRMVZONSA-N 2 1 330.394 3.338 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000130722665 205254364 /nfs/dbraw/zinc/25/43/64/205254364.db2.gz ZOVDIZZXSYAEJR-ZDUSSCGKSA-N 2 1 334.851 3.194 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000130722665 205254366 /nfs/dbraw/zinc/25/43/66/205254366.db2.gz ZOVDIZZXSYAEJR-ZDUSSCGKSA-N 2 1 334.851 3.194 20 0 EGADMP CCOc1cc(CCC[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)ccc1OC ZINC000133896866 205383233 /nfs/dbraw/zinc/38/32/33/205383233.db2.gz JJYFMUIPQBIICR-AEFFLSMTSA-N 2 1 334.504 3.346 20 0 EGADMP CC1(C)[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)[C@H]2CCO[C@@H]21 ZINC000161966090 206378482 /nfs/dbraw/zinc/37/84/82/206378482.db2.gz ACMQWSFATXYRCF-AQNXPRMDSA-N 2 1 346.490 3.236 20 0 EGADMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc(Cl)c1OC ZINC000377618825 169049371 /nfs/dbraw/zinc/04/93/71/169049371.db2.gz CFRDFONXVYQOSB-YIONKMFJSA-N 2 1 338.879 3.414 20 0 EGADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc(Cl)c1OC ZINC000377618825 169049373 /nfs/dbraw/zinc/04/93/73/169049373.db2.gz CFRDFONXVYQOSB-YIONKMFJSA-N 2 1 338.879 3.414 20 0 EGADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(Cl)c1OC ZINC000377618825 169049376 /nfs/dbraw/zinc/04/93/76/169049376.db2.gz CFRDFONXVYQOSB-YIONKMFJSA-N 2 1 338.879 3.414 20 0 EGADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(Cl)c1OC ZINC000377618825 169049378 /nfs/dbraw/zinc/04/93/78/169049378.db2.gz CFRDFONXVYQOSB-YIONKMFJSA-N 2 1 338.879 3.414 20 0 EGADMP CC[N@H+]1CC[C@H](NCc2ccc(OC)c(Br)c2)[C@H](C)C1 ZINC000174628514 207038610 /nfs/dbraw/zinc/03/86/10/207038610.db2.gz PSLQCVTUVLIUNZ-DOMZBBRYSA-N 2 1 341.293 3.278 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(Br)c2)[C@H](C)C1 ZINC000174628514 207038615 /nfs/dbraw/zinc/03/86/15/207038615.db2.gz PSLQCVTUVLIUNZ-DOMZBBRYSA-N 2 1 341.293 3.278 20 0 EGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000268724652 252173735 /nfs/dbraw/zinc/17/37/35/252173735.db2.gz JDNBZKOSAGQXNX-QGZVFWFLSA-N 2 1 344.503 3.382 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000268762381 252211332 /nfs/dbraw/zinc/21/13/32/252211332.db2.gz OOYHDJRCZONGMB-OAHLLOKOSA-N 2 1 344.503 3.494 20 0 EGADMP Cc1n[nH]cc1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268774253 252224378 /nfs/dbraw/zinc/22/43/78/252224378.db2.gz RATBITRIJRDMLB-JXFKEZNVSA-N 2 1 326.488 3.293 20 0 EGADMP Cc1n[nH]cc1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268774253 252224380 /nfs/dbraw/zinc/22/43/80/252224380.db2.gz RATBITRIJRDMLB-JXFKEZNVSA-N 2 1 326.488 3.293 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268797053 252249263 /nfs/dbraw/zinc/24/92/63/252249263.db2.gz WYMKNNQMMVIJFA-GDIGMMSISA-N 2 1 342.487 3.248 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268797053 252249267 /nfs/dbraw/zinc/24/92/67/252249267.db2.gz WYMKNNQMMVIJFA-GDIGMMSISA-N 2 1 342.487 3.248 20 0 EGADMP OC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCCC1 ZINC000268833631 252283855 /nfs/dbraw/zinc/28/38/55/252283855.db2.gz MZMQOIZFUSDPFX-UHFFFAOYSA-N 2 1 334.479 3.117 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1sccc1Cl ZINC000349071708 285251027 /nfs/dbraw/zinc/25/10/27/285251027.db2.gz GYCJLBXHDHRPKU-CQSZACIVSA-N 2 1 329.941 3.249 20 0 EGADMP COc1ccccc1C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C(C)C ZINC000268905474 255492316 /nfs/dbraw/zinc/49/23/16/255492316.db2.gz LVACEYREBDMYTO-UXHICEINSA-N 2 1 348.531 3.089 20 0 EGADMP CC1(C)C[C@H](N[C@@H]2CC[NH+]3CCCC[C@H]23)C[N@H+]1Cc1ccccc1 ZINC000677803943 549333727 /nfs/dbraw/zinc/33/37/27/549333727.db2.gz CBJJYZJESZWFME-XUVXKRRUSA-N 2 1 327.516 3.256 20 0 EGADMP CC1(C)C[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[NH+]1Cc1ccccc1 ZINC000677803943 549333730 /nfs/dbraw/zinc/33/37/30/549333730.db2.gz CBJJYZJESZWFME-XUVXKRRUSA-N 2 1 327.516 3.256 20 0 EGADMP CC1(C)C[C@H](N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[NH+]1Cc1ccccc1 ZINC000677803943 549333734 /nfs/dbraw/zinc/33/37/34/549333734.db2.gz CBJJYZJESZWFME-XUVXKRRUSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H](Cn1cccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338012478 141072888 /nfs/dbraw/zinc/07/28/88/141072888.db2.gz BBCHPHXAASBFBC-HKUYNNGSSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@@H](Cn1cccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338012478 141072890 /nfs/dbraw/zinc/07/28/90/141072890.db2.gz BBCHPHXAASBFBC-HKUYNNGSSA-N 2 1 326.488 3.162 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000338013216 141073591 /nfs/dbraw/zinc/07/35/91/141073591.db2.gz PJLBPKDDVJJMDU-QGZVFWFLSA-N 2 1 328.416 3.415 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCC[NH+](CC)C2)cc1)C1CC1 ZINC000338066754 141086505 /nfs/dbraw/zinc/08/65/05/141086505.db2.gz GMNBPJJYNXLAKC-GOSISDBHSA-N 2 1 343.515 3.133 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC)C2)cc1)C1CC1 ZINC000338066754 141086507 /nfs/dbraw/zinc/08/65/07/141086507.db2.gz GMNBPJJYNXLAKC-GOSISDBHSA-N 2 1 343.515 3.133 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC)C2)cc1)C1CC1 ZINC000338066754 141086510 /nfs/dbraw/zinc/08/65/10/141086510.db2.gz GMNBPJJYNXLAKC-GOSISDBHSA-N 2 1 343.515 3.133 20 0 EGADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc2cccnc12 ZINC000346222597 141184312 /nfs/dbraw/zinc/18/43/12/141184312.db2.gz PELTVBDYYRQTGA-XUVXKRRUSA-N 2 1 339.483 3.227 20 0 EGADMP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000347890725 141211157 /nfs/dbraw/zinc/21/11/57/141211157.db2.gz ASMWUZJCEBFGGG-HZPDHXFCSA-N 2 1 329.419 3.063 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000352966570 141279517 /nfs/dbraw/zinc/27/95/17/141279517.db2.gz JQVQEIKXHNSGDN-CQDKDKBSSA-N 2 1 344.425 3.340 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000352966570 141279520 /nfs/dbraw/zinc/27/95/20/141279520.db2.gz JQVQEIKXHNSGDN-CQDKDKBSSA-N 2 1 344.425 3.340 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@H](C[NH+](CC)CC)C1)[N@@H+](C)Cc1ccccc1 ZINC000354572480 141308537 /nfs/dbraw/zinc/30/85/37/141308537.db2.gz IDYAWSCWTCSIHV-VQTJNVASSA-N 2 1 345.531 3.087 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H]3C[C@@H](OC(C)C)C3(C)C)CC2)nc(C)[nH+]1 ZINC000185235378 144108197 /nfs/dbraw/zinc/10/81/97/144108197.db2.gz IUJWVWJXYQDTFH-QZTJIDSGSA-N 2 1 346.519 3.244 20 0 EGADMP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)C1CC1 ZINC000343217943 144195684 /nfs/dbraw/zinc/19/56/84/144195684.db2.gz BSKWWMICAXASOU-FQEVSTJZSA-N 2 1 343.515 3.060 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000351101730 144255391 /nfs/dbraw/zinc/25/53/91/144255391.db2.gz ORLXRQKTGJWJBW-UHFFFAOYSA-N 2 1 335.455 3.216 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000351101730 144255392 /nfs/dbraw/zinc/25/53/92/144255392.db2.gz ORLXRQKTGJWJBW-UHFFFAOYSA-N 2 1 335.455 3.216 20 0 EGADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403303 144264210 /nfs/dbraw/zinc/26/42/10/144264210.db2.gz CQCRMFWRNYKIOT-NHCUHLMSSA-N 2 1 329.532 3.315 20 0 EGADMP CN(CC[C@H]1CCCC[NH+]1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000351403303 144264211 /nfs/dbraw/zinc/26/42/11/144264211.db2.gz CQCRMFWRNYKIOT-NHCUHLMSSA-N 2 1 329.532 3.315 20 0 EGADMP CN(CC[C@H]1CCCC[NH+]1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000351403303 144264212 /nfs/dbraw/zinc/26/42/12/144264212.db2.gz CQCRMFWRNYKIOT-NHCUHLMSSA-N 2 1 329.532 3.315 20 0 EGADMP C[C@H](CCNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000351495401 144269187 /nfs/dbraw/zinc/26/91/87/144269187.db2.gz TWPUCQDHHRTAFF-XWSJACJDSA-N 2 1 345.531 3.275 20 0 EGADMP Cc1cnc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n1C ZINC000341112657 155166148 /nfs/dbraw/zinc/16/61/48/155166148.db2.gz RJKWJCAMOQJCJA-MRXNPFEDSA-N 2 1 326.488 3.393 20 0 EGADMP Cc1cnc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)n1C ZINC000341112657 155166150 /nfs/dbraw/zinc/16/61/50/155166150.db2.gz RJKWJCAMOQJCJA-MRXNPFEDSA-N 2 1 326.488 3.393 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000341456763 155303479 /nfs/dbraw/zinc/30/34/79/155303479.db2.gz NDFMNPPPSMELHQ-AWEZNQCLSA-N 2 1 326.444 3.281 20 0 EGADMP Cc1cc(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)ccn1 ZINC000119311389 152192761 /nfs/dbraw/zinc/19/27/61/152192761.db2.gz ZYONMMZJNJBUCX-UHFFFAOYSA-N 2 1 326.444 3.422 20 0 EGADMP CC(C)Cc1noc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000121804671 152372848 /nfs/dbraw/zinc/37/28/48/152372848.db2.gz UFTLLCATJXQILO-UHFFFAOYSA-N 2 1 334.508 3.356 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)[C@H](C)C1 ZINC000191530090 153204327 /nfs/dbraw/zinc/20/43/27/153204327.db2.gz HFQOOHVQCHRMJQ-CXAGYDPISA-N 2 1 347.894 3.049 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)[C@H](C)C1 ZINC000191530090 153204333 /nfs/dbraw/zinc/20/43/33/153204333.db2.gz HFQOOHVQCHRMJQ-CXAGYDPISA-N 2 1 347.894 3.049 20 0 EGADMP CC[C@@H](CNC(=[NH2+])N1CCC(C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000341639863 155396758 /nfs/dbraw/zinc/39/67/58/155396758.db2.gz SZHWNWSUGBTXAT-IBGZPJMESA-N 2 1 328.504 3.080 20 0 EGADMP CC[C@@H](CNC(=[NH2+])N1CCC(C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000341639863 155396761 /nfs/dbraw/zinc/39/67/61/155396761.db2.gz SZHWNWSUGBTXAT-IBGZPJMESA-N 2 1 328.504 3.080 20 0 EGADMP c1sc(-c2ccccn2)nc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261777257 153724610 /nfs/dbraw/zinc/72/46/10/153724610.db2.gz RMAXGMLXLBSLKI-MRXNPFEDSA-N 2 1 328.485 3.169 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000310068884 154139040 /nfs/dbraw/zinc/13/90/40/154139040.db2.gz CPRGLIIOIZLCOQ-VQTJNVASSA-N 2 1 328.500 3.447 20 0 EGADMP Cc1ncsc1CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310456941 154142475 /nfs/dbraw/zinc/14/24/75/154142475.db2.gz ZLIQBYPERXVPBU-RBUKOAKNSA-N 2 1 341.524 3.448 20 0 EGADMP Cc1ncsc1CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310456941 154142480 /nfs/dbraw/zinc/14/24/80/154142480.db2.gz ZLIQBYPERXVPBU-RBUKOAKNSA-N 2 1 341.524 3.448 20 0 EGADMP Cc1ncsc1CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310456941 154142482 /nfs/dbraw/zinc/14/24/82/154142482.db2.gz ZLIQBYPERXVPBU-RBUKOAKNSA-N 2 1 341.524 3.448 20 0 EGADMP Cc1ncc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)n1-c1ccccc1 ZINC000360176375 156944896 /nfs/dbraw/zinc/94/48/96/156944896.db2.gz ACTBYAGRWIKTDS-UHFFFAOYSA-N 2 1 326.488 3.392 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000368684670 157263649 /nfs/dbraw/zinc/26/36/49/157263649.db2.gz WMFMEMGOJLQWKI-GOSISDBHSA-N 2 1 341.846 3.478 20 0 EGADMP CN(c1ccccc1C[N@@H+](C)Cc1cccn1C)C1CC[NH+](C)CC1 ZINC000093584649 162014602 /nfs/dbraw/zinc/01/46/02/162014602.db2.gz RLJXZDVTOKHEHW-UHFFFAOYSA-N 2 1 340.515 3.188 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000093988897 162035177 /nfs/dbraw/zinc/03/51/77/162035177.db2.gz NWRIFUCYATVSDN-HXUWFJFHSA-N 2 1 343.471 3.271 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000093988897 162035180 /nfs/dbraw/zinc/03/51/80/162035180.db2.gz NWRIFUCYATVSDN-HXUWFJFHSA-N 2 1 343.471 3.271 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000109786265 162111725 /nfs/dbraw/zinc/11/17/25/162111725.db2.gz CUPZLEJLKZMRKJ-UHFFFAOYSA-N 2 1 337.895 3.475 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000110975400 162140211 /nfs/dbraw/zinc/14/02/11/162140211.db2.gz NXVPKMRHHSMDGJ-QGZVFWFLSA-N 2 1 345.531 3.379 20 0 EGADMP OC[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000248416701 163003062 /nfs/dbraw/zinc/00/30/62/163003062.db2.gz PYJITEAZPIEGKJ-SSSFQFABSA-N 2 1 328.500 3.038 20 0 EGADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC000354329580 166003686 /nfs/dbraw/zinc/00/36/86/166003686.db2.gz SDCRDABYKGJOED-IBGZPJMESA-N 2 1 331.504 3.019 20 0 EGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338582886 163282726 /nfs/dbraw/zinc/28/27/26/163282726.db2.gz UJHSNDOBZDUONM-ZWKOTPCHSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354708373 166015633 /nfs/dbraw/zinc/01/56/33/166015633.db2.gz PFFIXTKICBNLQK-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000343767871 164030052 /nfs/dbraw/zinc/03/00/52/164030052.db2.gz IAPMVIUQKMNWBE-GGPKGHCWSA-N 2 1 343.515 3.030 20 0 EGADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cc2c(cc1Cl)OCCO2 ZINC000343798088 164036903 /nfs/dbraw/zinc/03/69/03/164036903.db2.gz OWMGNBWZVXCPQS-HNNXBMFYSA-N 2 1 338.879 3.417 20 0 EGADMP CC(C)(C)[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000343806809 164039261 /nfs/dbraw/zinc/03/92/61/164039261.db2.gz FHJRDXAQAWQWEC-FPOVZHCZSA-N 2 1 330.516 3.382 20 0 EGADMP CC(C)(C)[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000343806809 164039264 /nfs/dbraw/zinc/03/92/64/164039264.db2.gz FHJRDXAQAWQWEC-FPOVZHCZSA-N 2 1 330.516 3.382 20 0 EGADMP CCC1(CC)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C[C@@H]1OC ZINC000344102916 164103049 /nfs/dbraw/zinc/10/30/49/164103049.db2.gz UYDJPPHRWOXLMS-UXHICEINSA-N 2 1 346.515 3.202 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000345809498 164269781 /nfs/dbraw/zinc/26/97/81/164269781.db2.gz DQQJWUIKYQZTRD-ROUUACIJSA-N 2 1 348.535 3.271 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000345928526 164296957 /nfs/dbraw/zinc/29/69/57/164296957.db2.gz HIRQLDFELBVIDK-UHFFFAOYSA-N 2 1 339.483 3.000 20 0 EGADMP CCOC(=O)C(C)(C)C1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000352202566 165283886 /nfs/dbraw/zinc/28/38/86/165283886.db2.gz KPUBZNAOZSBWCS-UHFFFAOYSA-N 2 1 335.492 3.273 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2cnc(C)s2)CC1 ZINC000352297767 165330203 /nfs/dbraw/zinc/33/02/03/165330203.db2.gz OQRAJJBEUWHHMU-UHFFFAOYSA-N 2 1 344.528 3.225 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2cnc(C)s2)CC1 ZINC000352297767 165330206 /nfs/dbraw/zinc/33/02/06/165330206.db2.gz OQRAJJBEUWHHMU-UHFFFAOYSA-N 2 1 344.528 3.225 20 0 EGADMP [NH3+]CCC[N@@H+](Cc1cc(-n2ccnc2)cs1)Cc1ccccc1 ZINC000359455742 167161466 /nfs/dbraw/zinc/16/14/66/167161466.db2.gz DTJCEDNTDWSZOV-UHFFFAOYSA-N 2 1 326.469 3.285 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N(C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000359505389 167174892 /nfs/dbraw/zinc/17/48/92/167174892.db2.gz AUYJDTUGJQJSKH-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000359505389 167174893 /nfs/dbraw/zinc/17/48/93/167174893.db2.gz AUYJDTUGJQJSKH-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000359505389 167174895 /nfs/dbraw/zinc/17/48/95/167174895.db2.gz AUYJDTUGJQJSKH-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000359774669 167229706 /nfs/dbraw/zinc/22/97/06/167229706.db2.gz NRIODGCWFRWINJ-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000359774669 167229708 /nfs/dbraw/zinc/22/97/08/167229708.db2.gz NRIODGCWFRWINJ-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000359774669 167229710 /nfs/dbraw/zinc/22/97/10/167229710.db2.gz NRIODGCWFRWINJ-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000359774669 167229713 /nfs/dbraw/zinc/22/97/13/167229713.db2.gz NRIODGCWFRWINJ-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H]3CS[C@H](C(C)C)C3)CC2)nc(C)[nH+]1 ZINC000364846488 167990977 /nfs/dbraw/zinc/99/09/77/167990977.db2.gz HWOLHOJMSZNWAQ-SJORKVTESA-N 2 1 334.533 3.182 20 0 EGADMP c1cn2c([nH+]1)CC[C@@H](c1nc(-c3ccc(C[NH+]4CCCC4)cc3)no1)C2 ZINC000364946469 168003652 /nfs/dbraw/zinc/00/36/52/168003652.db2.gz HFFVWINOWXSPHE-QGZVFWFLSA-N 2 1 349.438 3.259 20 0 EGADMP CCC(C)(C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365913282 168059050 /nfs/dbraw/zinc/05/90/50/168059050.db2.gz WTXBCUORQXTCNV-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)/C=C/C(C)(C)C ZINC000365911958 168059189 /nfs/dbraw/zinc/05/91/89/168059189.db2.gz MBHNKIGEJUOZDU-WUXMJOGZSA-N 2 1 349.563 3.243 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000367575777 168243604 /nfs/dbraw/zinc/24/36/04/168243604.db2.gz NRCZJJZHNGEUMT-GOSISDBHSA-N 2 1 348.491 3.059 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000367575777 168243605 /nfs/dbraw/zinc/24/36/05/168243605.db2.gz NRCZJJZHNGEUMT-GOSISDBHSA-N 2 1 348.491 3.059 20 0 EGADMP COc1c(C)cc([C@H](C)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1Cl ZINC000367589667 168245258 /nfs/dbraw/zinc/24/52/58/168245258.db2.gz QFQIFZRKRNSBPF-BPUTZDHNSA-N 2 1 338.879 3.171 20 0 EGADMP COc1c(C)cc([C@H](C)[NH2+]C[C@H]2CN3CCC[C@H]3CO2)cc1Cl ZINC000367589667 168245259 /nfs/dbraw/zinc/24/52/59/168245259.db2.gz QFQIFZRKRNSBPF-BPUTZDHNSA-N 2 1 338.879 3.171 20 0 EGADMP Fc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000367966864 168290264 /nfs/dbraw/zinc/29/02/64/168290264.db2.gz RWUQVKYQEYRORF-RBUKOAKNSA-N 2 1 325.431 3.175 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2COc3ccccc3[C@@H]2O)cc1 ZINC000367997177 168294076 /nfs/dbraw/zinc/29/40/76/168294076.db2.gz KTLCGWIPUHFUMN-ZKYUUJBMSA-N 2 1 349.434 3.326 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000173902979 265009938 /nfs/dbraw/zinc/00/99/38/265009938.db2.gz BKUKTLITFVHSJW-CQSZACIVSA-N 2 1 330.394 3.358 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000173902979 265009939 /nfs/dbraw/zinc/00/99/39/265009939.db2.gz BKUKTLITFVHSJW-CQSZACIVSA-N 2 1 330.394 3.358 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000173902979 265009941 /nfs/dbraw/zinc/00/99/41/265009941.db2.gz BKUKTLITFVHSJW-CQSZACIVSA-N 2 1 330.394 3.358 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000173902979 265009942 /nfs/dbraw/zinc/00/99/42/265009942.db2.gz BKUKTLITFVHSJW-CQSZACIVSA-N 2 1 330.394 3.358 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccc(OC(F)(F)F)cc2)CCN1C ZINC000174173412 265029455 /nfs/dbraw/zinc/02/94/55/265029455.db2.gz JUSXRUKGYZQUSM-KGLIPLIRSA-N 2 1 346.393 3.379 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000174173412 265029458 /nfs/dbraw/zinc/02/94/58/265029458.db2.gz JUSXRUKGYZQUSM-KGLIPLIRSA-N 2 1 346.393 3.379 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000174173412 265029460 /nfs/dbraw/zinc/02/94/60/265029460.db2.gz JUSXRUKGYZQUSM-KGLIPLIRSA-N 2 1 346.393 3.379 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000195132876 266162893 /nfs/dbraw/zinc/16/28/93/266162893.db2.gz AVDVWEZQTJFJOV-SLFFLAALSA-N 2 1 328.500 3.446 20 0 EGADMP CC[N@H+](Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1)C1CC1 ZINC000273983684 267157802 /nfs/dbraw/zinc/15/78/02/267157802.db2.gz YAWRHQGBWOKZPR-UHFFFAOYSA-N 2 1 326.444 3.317 20 0 EGADMP CC[N@@H+](Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1)C1CC1 ZINC000273983684 267157804 /nfs/dbraw/zinc/15/78/04/267157804.db2.gz YAWRHQGBWOKZPR-UHFFFAOYSA-N 2 1 326.444 3.317 20 0 EGADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000153754400 274022701 /nfs/dbraw/zinc/02/27/01/274022701.db2.gz DQLVCKRIFRRDRY-OAHLLOKOSA-N 2 1 328.909 3.435 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000153754400 274022702 /nfs/dbraw/zinc/02/27/02/274022702.db2.gz DQLVCKRIFRRDRY-OAHLLOKOSA-N 2 1 328.909 3.435 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246895874 274339931 /nfs/dbraw/zinc/33/99/31/274339931.db2.gz FAPXZPGYVLJTOU-IAVZTARUSA-N 2 1 329.532 3.358 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246895874 274339933 /nfs/dbraw/zinc/33/99/33/274339933.db2.gz FAPXZPGYVLJTOU-IAVZTARUSA-N 2 1 329.532 3.358 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246895874 274339935 /nfs/dbraw/zinc/33/99/35/274339935.db2.gz FAPXZPGYVLJTOU-IAVZTARUSA-N 2 1 329.532 3.358 20 0 EGADMP C[C@@H]1C[N@H+]([C@@H]2CCCc3ccc(F)cc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374323694 274358064 /nfs/dbraw/zinc/35/80/64/274358064.db2.gz JCEYVCMOPFORHG-MAODMQOUSA-N 2 1 345.506 3.161 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3cc(F)ccc32)CCCO1 ZINC000278687958 275265734 /nfs/dbraw/zinc/26/57/34/275265734.db2.gz UQWQBACVBSNTKN-QAPCUYQASA-N 2 1 336.451 3.130 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCOc3cc(F)ccc32)CCCO1 ZINC000278687958 275265735 /nfs/dbraw/zinc/26/57/35/275265735.db2.gz UQWQBACVBSNTKN-QAPCUYQASA-N 2 1 336.451 3.130 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000279221796 275313855 /nfs/dbraw/zinc/31/38/55/275313855.db2.gz CWQNQIUXBLACOB-RTWAWAEBSA-N 2 1 326.484 3.159 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000286030209 275943022 /nfs/dbraw/zinc/94/30/22/275943022.db2.gz KDWVNGRFHYFDOZ-AWEZNQCLSA-N 2 1 343.471 3.075 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000286030214 275943026 /nfs/dbraw/zinc/94/30/26/275943026.db2.gz KDWVNGRFHYFDOZ-CQSZACIVSA-N 2 1 343.471 3.075 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000151135440 276013810 /nfs/dbraw/zinc/01/38/10/276013810.db2.gz CLAQEGPDXGTZNC-BQJIDLTASA-N 2 1 341.499 3.141 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC000286978317 276065785 /nfs/dbraw/zinc/06/57/85/276065785.db2.gz IWFXWFWQCFPSOQ-KPFFTGBYSA-N 2 1 333.520 3.149 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(=O)NC)c1 ZINC000348407880 276105545 /nfs/dbraw/zinc/10/55/45/276105545.db2.gz WXBSKZLVNNZGSA-RBUKOAKNSA-N 2 1 331.504 3.036 20 0 EGADMP COc1cc([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c(F)cn1 ZINC000287781689 276156660 /nfs/dbraw/zinc/15/66/60/276156660.db2.gz SDRKFIMFYWNQKE-AWEZNQCLSA-N 2 1 347.434 3.021 20 0 EGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)o1 ZINC000288609978 276234060 /nfs/dbraw/zinc/23/40/60/276234060.db2.gz QNRUUPQNGHYXST-QAPCUYQASA-N 2 1 343.471 3.418 20 0 EGADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccccc1Cl ZINC000288671346 276240509 /nfs/dbraw/zinc/24/05/09/276240509.db2.gz WLBNDCXGCNFFGU-UHFFFAOYSA-N 2 1 333.863 3.355 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000358426401 276360782 /nfs/dbraw/zinc/36/07/82/276360782.db2.gz MSMHUCYYTAYQDN-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000358426401 276360785 /nfs/dbraw/zinc/36/07/85/276360785.db2.gz MSMHUCYYTAYQDN-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358426401 276360787 /nfs/dbraw/zinc/36/07/87/276360787.db2.gz MSMHUCYYTAYQDN-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000289611363 276366232 /nfs/dbraw/zinc/36/62/32/276366232.db2.gz VRPGMCRVYJYXNO-UHFFFAOYSA-N 2 1 327.350 3.486 20 0 EGADMP CCn1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000289630308 276368891 /nfs/dbraw/zinc/36/88/91/276368891.db2.gz PHDIWNBLTGNOFL-LJQANCHMSA-N 2 1 326.488 3.295 20 0 EGADMP CCn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000289630308 276368893 /nfs/dbraw/zinc/36/88/93/276368893.db2.gz PHDIWNBLTGNOFL-LJQANCHMSA-N 2 1 326.488 3.295 20 0 EGADMP CO[C@]1(C)CCC[N@@H+](C/C=C/C[NH+]2CCC[C@](C)(OC)CC2)CC1 ZINC000377206859 277358564 /nfs/dbraw/zinc/35/85/64/277358564.db2.gz AHAKANWSVSDGQI-VGIQHARFSA-N 2 1 338.536 3.325 20 0 EGADMP CO[C@]1(C)CCC[NH+](C/C=C/C[N@@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000377206859 277358566 /nfs/dbraw/zinc/35/85/66/277358566.db2.gz AHAKANWSVSDGQI-VGIQHARFSA-N 2 1 338.536 3.325 20 0 EGADMP CO[C@]1(C)CCC[NH+](C/C=C/C[N@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000377206859 277358568 /nfs/dbraw/zinc/35/85/68/277358568.db2.gz AHAKANWSVSDGQI-VGIQHARFSA-N 2 1 338.536 3.325 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC000344742674 279042368 /nfs/dbraw/zinc/04/23/68/279042368.db2.gz QRNFKUIFEGNVGU-YLJYHZDGSA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC000344742674 279042371 /nfs/dbraw/zinc/04/23/71/279042371.db2.gz QRNFKUIFEGNVGU-YLJYHZDGSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC000344742674 279042373 /nfs/dbraw/zinc/04/23/73/279042373.db2.gz QRNFKUIFEGNVGU-YLJYHZDGSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC000344742674 279042374 /nfs/dbraw/zinc/04/23/74/279042374.db2.gz QRNFKUIFEGNVGU-YLJYHZDGSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[C@H](CNCc1ncc(C[NH+](C)C)s1)[NH+]1CCCCCC1 ZINC000352777113 280253684 /nfs/dbraw/zinc/25/36/84/280253684.db2.gz AIDAXVXWIDWFHL-KRWDZBQOSA-N 2 1 338.565 3.195 20 0 EGADMP Cn1cc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)c(C(F)F)n1 ZINC000361136911 294240462 /nfs/dbraw/zinc/24/04/62/294240462.db2.gz SZEDBSPOLVUHAD-UHFFFAOYSA-N 2 1 328.451 3.492 20 0 EGADMP COc1cc(OC)c(C[N@H+](CCC[NH3+])CC2CCCC2)c(OC)c1 ZINC000352546221 295005927 /nfs/dbraw/zinc/00/59/27/295005927.db2.gz RLEWRJXKLPTINI-UHFFFAOYSA-N 2 1 336.476 3.053 20 0 EGADMP COc1cc(OC)c(C[N@@H+](CCC[NH3+])CC2CCCC2)c(OC)c1 ZINC000352546221 295005930 /nfs/dbraw/zinc/00/59/30/295005930.db2.gz RLEWRJXKLPTINI-UHFFFAOYSA-N 2 1 336.476 3.053 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000414114173 309061659 /nfs/dbraw/zinc/06/16/59/309061659.db2.gz STQMPPRJAWECMY-LZLYRXPVSA-N 2 1 331.504 3.264 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414183860 309065427 /nfs/dbraw/zinc/06/54/27/309065427.db2.gz NZASDMNXIWWJKC-MSOLQXFVSA-N 3 1 333.520 3.010 20 0 EGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[C@H](C)O1 ZINC000414271689 309069826 /nfs/dbraw/zinc/06/98/26/309069826.db2.gz XEFJCGYZJRTYFB-DAHSGPHPSA-N 2 1 328.500 3.300 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)nn1C ZINC000414251438 309068836 /nfs/dbraw/zinc/06/88/36/309068836.db2.gz ABFOACLEFCDIDF-UHFFFAOYSA-N 2 1 326.488 3.250 20 0 EGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCc2occc21 ZINC000248755928 308010976 /nfs/dbraw/zinc/01/09/76/308010976.db2.gz CQQONOPKKLVPIX-ICSRJNTNSA-N 2 1 340.467 3.404 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000414431359 309079433 /nfs/dbraw/zinc/07/94/33/309079433.db2.gz HQERXPCENOAUIF-UHFFFAOYSA-N 2 1 342.462 3.380 20 0 EGADMP C[N@H+]1CC[C@]2(CCN(Cc3ccccc3OCc3ccccn3)C2)C1 ZINC000292850818 308072332 /nfs/dbraw/zinc/07/23/32/308072332.db2.gz UAPRLJNGOYZHDM-NRFANRHFSA-N 2 1 337.467 3.188 20 0 EGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3OCc3ccccn3)C2)C1 ZINC000292850818 308072334 /nfs/dbraw/zinc/07/23/34/308072334.db2.gz UAPRLJNGOYZHDM-NRFANRHFSA-N 2 1 337.467 3.188 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3OCc3ccccn3)C2)C1 ZINC000292850818 308072336 /nfs/dbraw/zinc/07/23/36/308072336.db2.gz UAPRLJNGOYZHDM-NRFANRHFSA-N 2 1 337.467 3.188 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3OCc3ccccn3)C2)C1 ZINC000292850818 308072337 /nfs/dbraw/zinc/07/23/37/308072337.db2.gz UAPRLJNGOYZHDM-NRFANRHFSA-N 2 1 337.467 3.188 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3OCc3ccccn3)C2)C1 ZINC000292850818 308072339 /nfs/dbraw/zinc/07/23/39/308072339.db2.gz UAPRLJNGOYZHDM-NRFANRHFSA-N 2 1 337.467 3.188 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292881323 308076033 /nfs/dbraw/zinc/07/60/33/308076033.db2.gz DZNNBZFLFLZVPY-LJQANCHMSA-N 2 1 347.528 3.155 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292881323 308076034 /nfs/dbraw/zinc/07/60/34/308076034.db2.gz DZNNBZFLFLZVPY-LJQANCHMSA-N 2 1 347.528 3.155 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292881323 308076035 /nfs/dbraw/zinc/07/60/35/308076035.db2.gz DZNNBZFLFLZVPY-LJQANCHMSA-N 2 1 347.528 3.155 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCCN[C@H](c2nc[nH]n2)c2ccc(F)cc2)C1 ZINC000293670241 308151264 /nfs/dbraw/zinc/15/12/64/308151264.db2.gz JRXZUESHZBQLPX-QAPCUYQASA-N 2 1 345.466 3.135 20 0 EGADMP C=Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000293988070 308180425 /nfs/dbraw/zinc/18/04/25/308180425.db2.gz RUVKUSYKNCPTOQ-UHFFFAOYSA-N 2 1 336.483 3.472 20 0 EGADMP CC(C)c1nnc(CNCC(C)(C)C[N@@H+](C)Cc2ccccc2)[nH]1 ZINC000294934295 308273372 /nfs/dbraw/zinc/27/33/72/308273372.db2.gz ZSIKNJKTTRJXEK-UHFFFAOYSA-N 2 1 329.492 3.176 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCc1c(Cl)cccc1Cl ZINC000294960560 308276382 /nfs/dbraw/zinc/27/63/82/308276382.db2.gz MYOUJHXQESUFSR-UHFFFAOYSA-N 2 1 344.330 3.105 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000295108034 308291984 /nfs/dbraw/zinc/29/19/84/308291984.db2.gz UYQVOCIWXOQYNV-OAHLLOKOSA-N 2 1 338.879 3.290 20 0 EGADMP Cc1nccnc1CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000295109819 308292255 /nfs/dbraw/zinc/29/22/55/308292255.db2.gz XEUZNJLKFDOTEA-UHFFFAOYSA-N 2 1 338.499 3.360 20 0 EGADMP C[C@H](CCO)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000295149329 308296780 /nfs/dbraw/zinc/29/67/80/308296780.db2.gz QWHCHDHJXNIGNN-OYNPSCLESA-N 2 1 330.516 3.285 20 0 EGADMP C[NH2+]C[C@@H](C)CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414706120 309096317 /nfs/dbraw/zinc/09/63/17/309096317.db2.gz GHOOLSCSQAJMCX-MRXNPFEDSA-N 2 1 346.519 3.428 20 0 EGADMP C[NH2+]C[C@H](C)CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414706119 309096382 /nfs/dbraw/zinc/09/63/82/309096382.db2.gz GHOOLSCSQAJMCX-INIZCTEOSA-N 2 1 346.519 3.428 20 0 EGADMP CCCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OCC ZINC000414677533 309094954 /nfs/dbraw/zinc/09/49/54/309094954.db2.gz WPCCCTBJHJNEAW-BZSNNMDCSA-N 2 1 332.488 3.433 20 0 EGADMP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000414766308 309099530 /nfs/dbraw/zinc/09/95/30/309099530.db2.gz HPSRXSSCMSLPGW-KDURUIRLSA-N 2 1 336.483 3.281 20 0 EGADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772008 309099959 /nfs/dbraw/zinc/09/99/59/309099959.db2.gz BBMCACYQOBHPCD-ZIAGYGMSSA-N 2 1 332.879 3.048 20 0 EGADMP FC(F)(F)Oc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414778922 309100479 /nfs/dbraw/zinc/10/04/79/309100479.db2.gz JPNMKCJSXSDYBX-CABCVRRESA-N 2 1 328.378 3.407 20 0 EGADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414782091 309100585 /nfs/dbraw/zinc/10/05/85/309100585.db2.gz NZQKPALMHBNLMK-KGLIPLIRSA-N 2 1 332.879 3.048 20 0 EGADMP CCCOc1c(Cl)cc(C[NH2+]C2CC[NH2+]CC2)cc1OCC ZINC000414787842 309101115 /nfs/dbraw/zinc/10/11/15/309101115.db2.gz LSRLGTBDIHPOTD-UHFFFAOYSA-N 2 1 326.868 3.369 20 0 EGADMP Cc1nn2c(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c(C(C)C)nc2s1 ZINC000414789231 309101543 /nfs/dbraw/zinc/10/15/43/309101543.db2.gz YDNBXEGCIGWQNY-LSDHHAIUSA-N 2 1 347.532 3.044 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)o2)CC12CCOCC2 ZINC000414792840 309101603 /nfs/dbraw/zinc/10/16/03/309101603.db2.gz SVUJVQUIZKIGHN-OAHLLOKOSA-N 2 1 344.430 3.273 20 0 EGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298603506 308627545 /nfs/dbraw/zinc/62/75/45/308627545.db2.gz ZJJURENPNZCFRZ-KURKYZTESA-N 3 1 330.520 3.006 20 0 EGADMP Fc1cc(Br)ccc1[C@H]([NH2+]C1CC[NH2+]CC1)C1CC1 ZINC000423178419 309389252 /nfs/dbraw/zinc/38/92/52/309389252.db2.gz FYKLINUXGASMBW-OAHLLOKOSA-N 2 1 327.241 3.381 20 0 EGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414840434 309104803 /nfs/dbraw/zinc/10/48/03/309104803.db2.gz MHECTLZNWUMXKD-YPMHNXCESA-N 2 1 331.273 3.482 20 0 EGADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)ccc1OC(F)F ZINC000414854581 309105846 /nfs/dbraw/zinc/10/58/46/309105846.db2.gz VFGXYKRLZWXPAH-CQSZACIVSA-N 2 1 328.403 3.294 20 0 EGADMP COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@H]([NH3+])C3CC3)cc2)c1 ZINC000414894607 309107722 /nfs/dbraw/zinc/10/77/22/309107722.db2.gz UBGOPBZSAFOPPP-FQEVSTJZSA-N 2 1 342.439 3.323 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC[NH2+]1 ZINC000414945185 309110548 /nfs/dbraw/zinc/11/05/48/309110548.db2.gz HZPGHBSUJOCCGX-XOKHGSTOSA-N 2 1 338.879 3.128 20 0 EGADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000414978556 309112457 /nfs/dbraw/zinc/11/24/57/309112457.db2.gz RXQKYIHHWQDVBD-JKIFEVAISA-N 2 1 342.314 3.123 20 0 EGADMP CC(C)Cn1cc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000414993832 309113177 /nfs/dbraw/zinc/11/31/77/309113177.db2.gz CXCPMXAGCOBUEU-AZUAARDMSA-N 2 1 344.478 3.161 20 0 EGADMP c1ccc(Sc2ccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)cc2)cc1 ZINC000415034912 309115550 /nfs/dbraw/zinc/11/55/50/309115550.db2.gz ILEDNGVGRFQBTP-KRWDZBQOSA-N 2 1 328.481 3.306 20 0 EGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c(Cl)c1 ZINC000415065039 309117846 /nfs/dbraw/zinc/11/78/46/309117846.db2.gz MBWGENUBHDHEIX-CXAGYDPISA-N 2 1 337.895 3.473 20 0 EGADMP Clc1cccnc1OCC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415086791 309119405 /nfs/dbraw/zinc/11/94/05/309119405.db2.gz KFNBIRNQEKKRGX-RDJZCZTQSA-N 2 1 331.847 3.197 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C[C@H]1C[NH3+] ZINC000415119262 309121602 /nfs/dbraw/zinc/12/16/02/309121602.db2.gz FETAXTNQJKIFLI-FUHWJXTLSA-N 2 1 325.456 3.077 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415133648 309122812 /nfs/dbraw/zinc/12/28/12/309122812.db2.gz VJBVPNVZQGBCKY-DZGCQCFKSA-N 2 1 332.879 3.251 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000415908353 309147664 /nfs/dbraw/zinc/14/76/64/309147664.db2.gz DBJSFZRKTLZXKA-GOSISDBHSA-N 2 1 346.519 3.286 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415970635 309152034 /nfs/dbraw/zinc/15/20/34/309152034.db2.gz FMBWEHIQMFYQPM-AEFFLSMTSA-N 2 1 344.503 3.264 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416181801 309162552 /nfs/dbraw/zinc/16/25/52/309162552.db2.gz TULUNGVIVJAZAJ-ICSRJNTNSA-N 2 1 345.531 3.164 20 0 EGADMP Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420303029 309280387 /nfs/dbraw/zinc/28/03/87/309280387.db2.gz MYMXVYTWXXGSGP-HQMSXXKGSA-N 2 1 338.495 3.104 20 0 EGADMP CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H](C)c1cccc(OC)c1 ZINC000420302258 309280429 /nfs/dbraw/zinc/28/04/29/309280429.db2.gz JJYLSOAABJYGSR-CZAAIQMYSA-N 2 1 342.483 3.009 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CCOc2ccccc2C)cc1 ZINC000420302330 309280455 /nfs/dbraw/zinc/28/04/55/309280455.db2.gz JQKCMIYZGKPAEX-SFHVURJKSA-N 2 1 328.456 3.057 20 0 EGADMP COC(=O)CC1(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000420305450 309280840 /nfs/dbraw/zinc/28/08/40/309280840.db2.gz GIOKGSFQOOVPMC-RBUKOAKNSA-N 2 1 344.499 3.002 20 0 EGADMP CCc1ccccc1C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000420308498 309280863 /nfs/dbraw/zinc/28/08/63/309280863.db2.gz KHVNGEKCBASUNW-IBGZPJMESA-N 2 1 338.499 3.127 20 0 EGADMP CCc1ccccc1C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000420308498 309280864 /nfs/dbraw/zinc/28/08/64/309280864.db2.gz KHVNGEKCBASUNW-IBGZPJMESA-N 2 1 338.499 3.127 20 0 EGADMP C[N@H+](Cc1cncc(OCc2ccccc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000420318038 309281843 /nfs/dbraw/zinc/28/18/43/309281843.db2.gz VLXTZNHNNKYDLR-LJQANCHMSA-N 2 1 325.456 3.235 20 0 EGADMP C[N@@H+](Cc1cncc(OCc2ccccc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000420318038 309281844 /nfs/dbraw/zinc/28/18/44/309281844.db2.gz VLXTZNHNNKYDLR-LJQANCHMSA-N 2 1 325.456 3.235 20 0 EGADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420331678 309282734 /nfs/dbraw/zinc/28/27/34/309282734.db2.gz ITNGMVKDKISGRV-AEGPPILISA-N 2 1 346.862 3.382 20 0 EGADMP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331553 309282749 /nfs/dbraw/zinc/28/27/49/309282749.db2.gz CCXAPECNFDPEAZ-RBUKOAKNSA-N 2 1 343.515 3.071 20 0 EGADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420346855 309283603 /nfs/dbraw/zinc/28/36/03/309283603.db2.gz ZGTXZTQFGJUIPM-ULQDDVLXSA-N 2 1 340.471 3.428 20 0 EGADMP COC(=O)c1cc2cc(C[NH2+][C@H](C[NH3+])C3CCCCC3)ccc2o1 ZINC000420363820 309284337 /nfs/dbraw/zinc/28/43/37/309284337.db2.gz JWCFYDOOMJQRBU-MRXNPFEDSA-N 2 1 330.428 3.217 20 0 EGADMP CCN(C(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1)c1cccc2ccccc21 ZINC000420370646 309284782 /nfs/dbraw/zinc/28/47/82/309284782.db2.gz CQRNXXKBWYXXJD-FUHWJXTLSA-N 2 1 339.483 3.109 20 0 EGADMP CCN(C(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1)c1cccc2ccccc21 ZINC000420370646 309284783 /nfs/dbraw/zinc/28/47/83/309284783.db2.gz CQRNXXKBWYXXJD-FUHWJXTLSA-N 2 1 339.483 3.109 20 0 EGADMP FC(F)(F)c1ccc([C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420372134 309284941 /nfs/dbraw/zinc/28/49/41/309284941.db2.gz LDKBVKGXGXWUNR-BBRMVZONSA-N 2 1 328.378 3.078 20 0 EGADMP CCc1ccc(C[N@@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000420979913 309305820 /nfs/dbraw/zinc/30/58/20/309305820.db2.gz LAMAZDCEZREMMP-UHFFFAOYSA-N 2 1 329.532 3.241 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421825797 309341713 /nfs/dbraw/zinc/34/17/13/309341713.db2.gz PICJKDXFJVGBKZ-IFMALSPDSA-N 2 1 349.522 3.483 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1Cl ZINC000421832636 309342308 /nfs/dbraw/zinc/34/23/08/309342308.db2.gz GPFRVMKXJOTLEM-QLFBSQMISA-N 2 1 325.884 3.275 20 0 EGADMP C[NH+](C)C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000422004849 309350549 /nfs/dbraw/zinc/35/05/49/309350549.db2.gz HKHJGRRJTBAWIB-MHJFOBGBSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)(CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422702950 309363737 /nfs/dbraw/zinc/36/37/37/309363737.db2.gz LWQCKMQVPYEUNO-PCCBWWKXSA-N 2 1 341.543 3.334 20 0 EGADMP CC(C)(CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422702950 309363738 /nfs/dbraw/zinc/36/37/38/309363738.db2.gz LWQCKMQVPYEUNO-PCCBWWKXSA-N 2 1 341.543 3.334 20 0 EGADMP C[C@@H](N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000422726589 309365299 /nfs/dbraw/zinc/36/52/99/309365299.db2.gz FLRWSUOUUIYQJZ-KBRIMQKVSA-N 2 1 341.421 3.010 20 0 EGADMP COc1ccc([C@H](CN[C@H]2CCCC[C@@H]2C[NH3+])[NH+]2CCCCC2)cc1 ZINC000422770825 309367558 /nfs/dbraw/zinc/36/75/58/309367558.db2.gz WSWPURDIXAJTFK-GIVPXCGWSA-N 2 1 345.531 3.329 20 0 EGADMP c1cnn(-c2ccc(CC[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)cc2)c1 ZINC000422825946 309370530 /nfs/dbraw/zinc/37/05/30/309370530.db2.gz QFRUUCRYKORCMV-IRLDBZIGSA-N 2 1 346.478 3.498 20 0 EGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422881920 309373766 /nfs/dbraw/zinc/37/37/66/309373766.db2.gz RFDGCKGBGDEELK-YLJYHZDGSA-N 2 1 338.499 3.120 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000422902992 309375334 /nfs/dbraw/zinc/37/53/34/309375334.db2.gz VMIAENMVXAZMGZ-NEWSRXKRSA-N 2 1 331.504 3.106 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000422913962 309376036 /nfs/dbraw/zinc/37/60/36/309376036.db2.gz ZOCHJWOHFYQALP-WFXMLNOXSA-N 2 1 325.500 3.055 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@H]3C2)cc1 ZINC000423030169 309381935 /nfs/dbraw/zinc/38/19/35/309381935.db2.gz JJUDPPODIWMWKM-SUSNAOKRSA-N 2 1 339.527 3.160 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@H]3C2)cc1 ZINC000423030169 309381936 /nfs/dbraw/zinc/38/19/36/309381936.db2.gz JJUDPPODIWMWKM-SUSNAOKRSA-N 3 1 339.527 3.160 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@H]3C2)cc1 ZINC000423030169 309381937 /nfs/dbraw/zinc/38/19/37/309381937.db2.gz JJUDPPODIWMWKM-SUSNAOKRSA-N 3 1 339.527 3.160 20 0 EGADMP COCC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000423042899 309382621 /nfs/dbraw/zinc/38/26/21/309382621.db2.gz MPEHREKRCHHSNY-ABSDTBQOSA-N 2 1 342.439 3.203 20 0 EGADMP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000423058727 309383557 /nfs/dbraw/zinc/38/35/57/309383557.db2.gz KGXNGWOFZVGFLW-AFDCHOCNSA-N 2 1 328.500 3.145 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000423066782 309384032 /nfs/dbraw/zinc/38/40/32/309384032.db2.gz XVXJBSINZFNUDD-NSHDSACASA-N 2 1 343.862 3.240 20 0 EGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000423067440 309384097 /nfs/dbraw/zinc/38/40/97/309384097.db2.gz HCABGAVBBYJCPJ-DOIPELPJSA-N 2 1 330.516 3.248 20 0 EGADMP c1csc(N2CCC([NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)n1 ZINC000423109254 309386299 /nfs/dbraw/zinc/38/62/99/309386299.db2.gz UREQKPYPZXRUBH-ROUUACIJSA-N 2 1 342.512 3.195 20 0 EGADMP OC[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1Cl ZINC000423133694 309387537 /nfs/dbraw/zinc/38/75/37/309387537.db2.gz VWQXJCZUMZXZEC-QKLQHJQFSA-N 2 1 344.886 3.499 20 0 EGADMP C[C@@H](C[NH3+])C[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000423301081 309394538 /nfs/dbraw/zinc/39/45/38/309394538.db2.gz FJOXHKWNSCXJQM-ORAYPTAESA-N 2 1 346.858 3.385 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000423308902 309394702 /nfs/dbraw/zinc/39/47/02/309394702.db2.gz PENYUFFWCGMJQW-SCLBCKFNSA-N 2 1 345.874 3.392 20 0 EGADMP Cc1c([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000423328423 309395291 /nfs/dbraw/zinc/39/52/91/309395291.db2.gz MEJTXAIWLFGQLX-IFXJQAMLSA-N 2 1 330.451 3.360 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423325488 309395321 /nfs/dbraw/zinc/39/53/21/309395321.db2.gz IUPPMJOKGCVNNB-MRXNPFEDSA-N 2 1 339.483 3.477 20 0 EGADMP CC(C)[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H](C)[NH3+] ZINC000423345161 309396441 /nfs/dbraw/zinc/39/64/41/309396441.db2.gz XMMKHMOBGAMRJW-GPMSIDNRSA-N 2 1 331.504 3.476 20 0 EGADMP CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@H](C)[NH3+] ZINC000423347222 309396482 /nfs/dbraw/zinc/39/64/82/309396482.db2.gz ZWRCYFKQKOIAPD-UWVAXJGDSA-N 2 1 345.531 3.297 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000423365431 309397074 /nfs/dbraw/zinc/39/70/74/309397074.db2.gz BGFAPEHJWCBPJW-BFVZDQMLSA-N 2 1 327.241 3.435 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000423363783 309397262 /nfs/dbraw/zinc/39/72/62/309397262.db2.gz VFOIMUOZDCDPEJ-OKZBNKHCSA-N 2 1 343.515 3.433 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1I ZINC000423391148 309398290 /nfs/dbraw/zinc/39/82/90/309398290.db2.gz PKFZSIIYKMCWMT-QJPTWQEYSA-N 2 1 344.240 3.212 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)cc1 ZINC000423603995 309407369 /nfs/dbraw/zinc/40/73/69/309407369.db2.gz GPWHHWZXPMKOKN-SCLBCKFNSA-N 2 1 343.858 3.146 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440629889 309853183 /nfs/dbraw/zinc/85/31/83/309853183.db2.gz ZMBMGYCNHBOUMC-JSGCOSHPSA-N 2 1 332.414 3.419 20 0 EGADMP C[N@H+](Cc1cccc(Br)c1F)CC1CC[NH+](C)CC1 ZINC000449023157 310029940 /nfs/dbraw/zinc/02/99/40/310029940.db2.gz OARYKXYVKXORMB-UHFFFAOYSA-N 2 1 329.257 3.362 20 0 EGADMP COc1cccc2c(C[NH+]3CCC([N@H+](C)CCCO)CC3)cccc12 ZINC000449035101 310031666 /nfs/dbraw/zinc/03/16/66/310031666.db2.gz MVRNISKAIHEYJF-UHFFFAOYSA-N 2 1 342.483 3.127 20 0 EGADMP COc1cccc2c(C[NH+]3CCC([N@@H+](C)CCCO)CC3)cccc12 ZINC000449035101 310031667 /nfs/dbraw/zinc/03/16/67/310031667.db2.gz MVRNISKAIHEYJF-UHFFFAOYSA-N 2 1 342.483 3.127 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(-c2ccc(F)cc2)n1 ZINC000449342868 310054987 /nfs/dbraw/zinc/05/49/87/310054987.db2.gz FWMAOVLTASSUKM-FQEVSTJZSA-N 2 1 342.462 3.144 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(-c2ccc(F)cc2)n1 ZINC000449342868 310054988 /nfs/dbraw/zinc/05/49/88/310054988.db2.gz FWMAOVLTASSUKM-FQEVSTJZSA-N 2 1 342.462 3.144 20 0 EGADMP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(-c2ccc(F)cc2)n1 ZINC000449342868 310054989 /nfs/dbraw/zinc/05/49/89/310054989.db2.gz FWMAOVLTASSUKM-FQEVSTJZSA-N 2 1 342.462 3.144 20 0 EGADMP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(-c2ccc(F)cc2)n1 ZINC000449342868 310054990 /nfs/dbraw/zinc/05/49/90/310054990.db2.gz FWMAOVLTASSUKM-FQEVSTJZSA-N 2 1 342.462 3.144 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CCC[C@H](C)C3)C2)CC1 ZINC000449508987 310067931 /nfs/dbraw/zinc/06/79/31/310067931.db2.gz VTDZSYXUUFMPTP-TYPHKJRUSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CCC[C@H](C)C3)C2)CC1 ZINC000449508987 310067932 /nfs/dbraw/zinc/06/79/32/310067932.db2.gz VTDZSYXUUFMPTP-TYPHKJRUSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@@H]3CCC[C@H](C)C3)C2)CC1 ZINC000449508987 310067933 /nfs/dbraw/zinc/06/79/33/310067933.db2.gz VTDZSYXUUFMPTP-TYPHKJRUSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@@H]3CCC[C@H](C)C3)C2)CC1 ZINC000449508987 310067934 /nfs/dbraw/zinc/06/79/34/310067934.db2.gz VTDZSYXUUFMPTP-TYPHKJRUSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c2nccn21 ZINC000449568868 310072608 /nfs/dbraw/zinc/07/26/08/310072608.db2.gz DPOBULLSYZUXHT-VQIMIIECSA-N 2 1 340.471 3.153 20 0 EGADMP O[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000449588513 310074190 /nfs/dbraw/zinc/07/41/90/310074190.db2.gz KYQDZHFEGQRDFH-QGLKVJOYSA-N 2 1 328.500 3.038 20 0 EGADMP CCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)COC1 ZINC000449596892 310074568 /nfs/dbraw/zinc/07/45/68/310074568.db2.gz CPTWJIQFPCJCSM-HSALFYBXSA-N 2 1 328.500 3.303 20 0 EGADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000450049810 310100611 /nfs/dbraw/zinc/10/06/11/310100611.db2.gz RDFVEYJQUDLOQH-FQEVSTJZSA-N 2 1 347.547 3.307 20 0 EGADMP CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)c1csnn1 ZINC000450457225 310123841 /nfs/dbraw/zinc/12/38/41/310123841.db2.gz RBUAGHWMCZDHBS-CQSZACIVSA-N 2 1 331.489 3.233 20 0 EGADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)c1csnn1 ZINC000450457225 310123842 /nfs/dbraw/zinc/12/38/42/310123842.db2.gz RBUAGHWMCZDHBS-CQSZACIVSA-N 2 1 331.489 3.233 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451697900 310192873 /nfs/dbraw/zinc/19/28/73/310192873.db2.gz IVADLDQVYMISFM-POAQFYNOSA-N 2 1 325.456 3.164 20 0 EGADMP CC1CC[NH+](CCN2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)CC1 ZINC000451703550 310193404 /nfs/dbraw/zinc/19/34/04/310193404.db2.gz FEWRDYMNCDNESX-FQEVSTJZSA-N 2 1 329.532 3.172 20 0 EGADMP C[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453074473 310256152 /nfs/dbraw/zinc/25/61/52/310256152.db2.gz GVMQGAXQWYJJAN-NJDAHSKKSA-N 2 1 327.516 3.113 20 0 EGADMP CN1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453074473 310256153 /nfs/dbraw/zinc/25/61/53/310256153.db2.gz GVMQGAXQWYJJAN-NJDAHSKKSA-N 2 1 327.516 3.113 20 0 EGADMP CN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453074473 310256154 /nfs/dbraw/zinc/25/61/54/310256154.db2.gz GVMQGAXQWYJJAN-NJDAHSKKSA-N 2 1 327.516 3.113 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3CCOCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453077671 310256519 /nfs/dbraw/zinc/25/65/19/310256519.db2.gz BIFZDPFRMNYKAA-PCCBWWKXSA-N 2 1 328.500 3.446 20 0 EGADMP COCC[N@@H+](C)CC[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1ccccc1 ZINC000453109403 310258468 /nfs/dbraw/zinc/25/84/68/310258468.db2.gz PKXBMAWTDMATFR-NEWSRXKRSA-N 2 1 342.487 3.188 20 0 EGADMP Cc1cc([C@H](C)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000453109766 310258552 /nfs/dbraw/zinc/25/85/52/310258552.db2.gz AQZNQURXPJTXLX-LPHOPBHVSA-N 2 1 330.497 3.344 20 0 EGADMP Cc1cc([C@H](C)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000453109766 310258553 /nfs/dbraw/zinc/25/85/53/310258553.db2.gz AQZNQURXPJTXLX-LPHOPBHVSA-N 2 1 330.497 3.344 20 0 EGADMP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453274659 310268538 /nfs/dbraw/zinc/26/85/38/310268538.db2.gz KQYAQTVZQNFHRD-WLRLJWMZSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)(CO)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453274014 310268644 /nfs/dbraw/zinc/26/86/44/310268644.db2.gz JYVNLYFKTISIEN-VAMGGRTRSA-N 2 1 330.516 3.428 20 0 EGADMP OCC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453350132 310272392 /nfs/dbraw/zinc/27/23/92/310272392.db2.gz PDNAZRZBVDUBIR-VAMGGRTRSA-N 2 1 328.500 3.182 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C1CCC1 ZINC000453369106 310273301 /nfs/dbraw/zinc/27/33/01/310273301.db2.gz FFYKWRMMCDTJNN-DOIPELPJSA-N 2 1 328.500 3.180 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1cccc(OCC[NH+](C)C)c1 ZINC000453375696 310273628 /nfs/dbraw/zinc/27/36/28/310273628.db2.gz YEHSBHKCBDIOJK-MPGHIAIKSA-N 2 1 328.460 3.180 20 0 EGADMP CC1(C)C[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000453439790 310277245 /nfs/dbraw/zinc/27/72/45/310277245.db2.gz VZZFJNDZAALVFV-LJQANCHMSA-N 2 1 330.516 3.488 20 0 EGADMP COc1sc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1Br ZINC000453594962 310283510 /nfs/dbraw/zinc/28/35/10/310283510.db2.gz IWESIORMKVBVRC-UHFFFAOYSA-N 2 1 347.322 3.483 20 0 EGADMP COc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(Cl)c1OC ZINC000453596440 310283561 /nfs/dbraw/zinc/28/35/61/310283561.db2.gz LGHFDKPZTCLGIX-UHFFFAOYSA-N 2 1 326.868 3.321 20 0 EGADMP CC1=CC[N@@H+](CCNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455843305 310379222 /nfs/dbraw/zinc/37/92/22/310379222.db2.gz GKULYJKDOVYHGM-IBGZPJMESA-N 2 1 342.487 3.009 20 0 EGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC(COc2ccccc2)C1 ZINC000459632412 310565279 /nfs/dbraw/zinc/56/52/79/310565279.db2.gz NCJRIETUJVWENM-UHFFFAOYSA-N 2 1 334.423 3.087 20 0 EGADMP C[C@@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)C[NH+]1CCCCC1 ZINC000480906221 310902805 /nfs/dbraw/zinc/90/28/05/310902805.db2.gz XRDGBWARDGBGHB-OALUTQOASA-N 2 1 347.547 3.400 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488423862 311064912 /nfs/dbraw/zinc/06/49/12/311064912.db2.gz XBFMMQJBVKLQTL-IRXDYDNUSA-N 2 1 328.566 3.386 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000489498281 311108777 /nfs/dbraw/zinc/10/87/77/311108777.db2.gz IXJDQFNTHQIKIE-SNVBAGLBSA-N 2 1 326.213 3.444 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000489614582 311114580 /nfs/dbraw/zinc/11/45/80/311114580.db2.gz YYLOVQQPAIAYPF-QGZVFWFLSA-N 2 1 340.895 3.420 20 0 EGADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000489614582 311114579 /nfs/dbraw/zinc/11/45/79/311114579.db2.gz YYLOVQQPAIAYPF-QGZVFWFLSA-N 2 1 340.895 3.420 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000492216779 311227476 /nfs/dbraw/zinc/22/74/76/311227476.db2.gz YFFKNOXWLFITRF-TWMKSMIVSA-N 2 1 339.524 3.094 20 0 EGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496936260 311788015 /nfs/dbraw/zinc/78/80/15/311788015.db2.gz DRQODOSDWMMCPL-SJORKVTESA-N 2 1 333.476 3.003 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C ZINC000497098298 311816252 /nfs/dbraw/zinc/81/62/52/311816252.db2.gz KWSOMNMPUHTOHP-HNNXBMFYSA-N 2 1 338.496 3.111 20 0 EGADMP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507465999 312073339 /nfs/dbraw/zinc/07/33/39/312073339.db2.gz CBFGRXFUTHRWKL-AYZHRIAMSA-N 2 1 330.516 3.284 20 0 EGADMP Cc1cc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c2ccccc2[nH+]1 ZINC000509056824 312108602 /nfs/dbraw/zinc/10/86/02/312108602.db2.gz ZBBBLCIHAMUZRQ-QFIPXVFZSA-N 2 1 347.462 3.451 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000510928731 312151194 /nfs/dbraw/zinc/15/11/94/312151194.db2.gz BFXMQUVROTUOPE-INIZCTEOSA-N 2 1 328.460 3.205 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N([C@H](C)C2CC2)C2CC2)CC1 ZINC000512261189 312180677 /nfs/dbraw/zinc/18/06/77/312180677.db2.gz NOKYEGJKQNBZIA-QGZVFWFLSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC)CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512631409 312191178 /nfs/dbraw/zinc/19/11/78/312191178.db2.gz QRNHAKMSLHHXBY-QHAWAJNXSA-N 2 1 329.532 3.219 20 0 EGADMP CCN(CC)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512631409 312191180 /nfs/dbraw/zinc/19/11/80/312191180.db2.gz QRNHAKMSLHHXBY-QHAWAJNXSA-N 2 1 329.532 3.219 20 0 EGADMP CCN(CC)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512631409 312191182 /nfs/dbraw/zinc/19/11/82/312191182.db2.gz QRNHAKMSLHHXBY-QHAWAJNXSA-N 2 1 329.532 3.219 20 0 EGADMP CCC(O)(CC)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512636686 312191213 /nfs/dbraw/zinc/19/12/13/312191213.db2.gz NFLHYYCYTNVKQC-XUVXKRRUSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512654212 312191633 /nfs/dbraw/zinc/19/16/33/312191633.db2.gz KFCUVYXOWMGJSQ-KCLUMXDGSA-N 2 1 328.500 3.038 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000513228298 312204839 /nfs/dbraw/zinc/20/48/39/312204839.db2.gz WGYFFNSZJBXJNC-QGZVFWFLSA-N 2 1 336.549 3.356 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000513228298 312204840 /nfs/dbraw/zinc/20/48/40/312204840.db2.gz WGYFFNSZJBXJNC-QGZVFWFLSA-N 2 1 336.549 3.356 20 0 EGADMP CC[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513673734 312215260 /nfs/dbraw/zinc/21/52/60/312215260.db2.gz WLMYJJPPBSHBTI-PLACYPQZSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)CCc1nc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cs1 ZINC000514865216 312250424 /nfs/dbraw/zinc/25/04/24/312250424.db2.gz UEEOHFIYSDSGHP-AEFFLSMTSA-N 2 1 337.533 3.060 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000516815511 312343036 /nfs/dbraw/zinc/34/30/36/312343036.db2.gz UMYDDTIAZXMLBM-HMXCVIKNSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000516815511 312343039 /nfs/dbraw/zinc/34/30/39/312343039.db2.gz UMYDDTIAZXMLBM-HMXCVIKNSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000516815511 312343041 /nfs/dbraw/zinc/34/30/41/312343041.db2.gz UMYDDTIAZXMLBM-HMXCVIKNSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000516815511 312343043 /nfs/dbraw/zinc/34/30/43/312343043.db2.gz UMYDDTIAZXMLBM-HMXCVIKNSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000516815511 312343045 /nfs/dbraw/zinc/34/30/45/312343045.db2.gz UMYDDTIAZXMLBM-HMXCVIKNSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000516815511 312343046 /nfs/dbraw/zinc/34/30/46/312343046.db2.gz UMYDDTIAZXMLBM-HMXCVIKNSA-N 3 1 329.532 3.359 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000516815511 312343048 /nfs/dbraw/zinc/34/30/48/312343048.db2.gz UMYDDTIAZXMLBM-HMXCVIKNSA-N 3 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000516815511 312343050 /nfs/dbraw/zinc/34/30/50/312343050.db2.gz UMYDDTIAZXMLBM-HMXCVIKNSA-N 3 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000516815511 312343051 /nfs/dbraw/zinc/34/30/51/312343051.db2.gz UMYDDTIAZXMLBM-HMXCVIKNSA-N 3 1 329.532 3.359 20 0 EGADMP OC1CC(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000528017438 313000873 /nfs/dbraw/zinc/00/08/73/313000873.db2.gz GYPKENFGGIGPBK-YWHRJQNKSA-N 2 1 328.500 3.038 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2)[C@@H](C)C1 ZINC000536874271 314151594 /nfs/dbraw/zinc/15/15/94/314151594.db2.gz CPNOXOPXBPOLSY-NSHGMRRFSA-N 2 1 334.504 3.181 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC1)CC(C)C ZINC000536887312 314152085 /nfs/dbraw/zinc/15/20/85/314152085.db2.gz WZEAPAOWPCUMLQ-QGZVFWFLSA-N 2 1 339.568 3.370 20 0 EGADMP COc1nc2ccccc2cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000538798335 314276439 /nfs/dbraw/zinc/27/64/39/314276439.db2.gz AENVRWFQBPRLIP-VQIMIIECSA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000538798335 314276442 /nfs/dbraw/zinc/27/64/42/314276442.db2.gz AENVRWFQBPRLIP-VQIMIIECSA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000538798335 314276445 /nfs/dbraw/zinc/27/64/45/314276445.db2.gz AENVRWFQBPRLIP-VQIMIIECSA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000538798335 314276449 /nfs/dbraw/zinc/27/64/49/314276449.db2.gz AENVRWFQBPRLIP-VQIMIIECSA-N 2 1 325.456 3.160 20 0 EGADMP CC(C)(O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552065121 315194862 /nfs/dbraw/zinc/19/48/62/315194862.db2.gz FYSSUZQQWZUPFU-HSALFYBXSA-N 2 1 330.516 3.428 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000552336450 315214070 /nfs/dbraw/zinc/21/40/70/315214070.db2.gz DPYVFRNDGZYJAY-NRFANRHFSA-N 2 1 347.522 3.297 20 0 EGADMP CC(C)[C@@H](C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC000554071769 315296324 /nfs/dbraw/zinc/29/63/24/315296324.db2.gz OLEAWFFSBSHHJD-XHSDSOJGSA-N 2 1 336.442 3.442 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000555548575 315389188 /nfs/dbraw/zinc/38/91/88/315389188.db2.gz AKXCBDDOGYOGSB-HIFRSBDPSA-N 2 1 337.305 3.238 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCCCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000563759753 316065030 /nfs/dbraw/zinc/06/50/30/316065030.db2.gz UEVSXAHDIBVAND-AZUAARDMSA-N 2 1 326.488 3.306 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCCCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000563759753 316065035 /nfs/dbraw/zinc/06/50/35/316065035.db2.gz UEVSXAHDIBVAND-AZUAARDMSA-N 2 1 326.488 3.306 20 0 EGADMP CC(C)OCC[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000563806138 316072309 /nfs/dbraw/zinc/07/23/09/316072309.db2.gz OMSCQQXCMWSXPQ-GHTZIAJQSA-N 2 1 348.531 3.184 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000564096009 316112705 /nfs/dbraw/zinc/11/27/05/316112705.db2.gz DAQMFACJGHJLBC-HZSPNIEDSA-N 2 1 332.410 3.100 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000564850145 316217030 /nfs/dbraw/zinc/21/70/30/316217030.db2.gz QQSOVHSSRBSDTP-RBBKRZOGSA-N 2 1 338.495 3.058 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000564850145 316217034 /nfs/dbraw/zinc/21/70/34/316217034.db2.gz QQSOVHSSRBSDTP-RBBKRZOGSA-N 2 1 338.495 3.058 20 0 EGADMP CCCCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000564969935 316239589 /nfs/dbraw/zinc/23/95/89/316239589.db2.gz GAUYUBXVLLTCOI-ROUUACIJSA-N 2 1 332.488 3.306 20 0 EGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000564969935 316239594 /nfs/dbraw/zinc/23/95/94/316239594.db2.gz GAUYUBXVLLTCOI-ROUUACIJSA-N 2 1 332.488 3.306 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[NH2+]Cc2ccccc21)c1ccccc1 ZINC000565042050 316254544 /nfs/dbraw/zinc/25/45/44/316254544.db2.gz UWNRFDUVEDASGT-FQEVSTJZSA-N 2 1 337.467 3.206 20 0 EGADMP C[N@@H+](C[C@H](O)CNCc1ccccc1Sc1ccccc1)C1CC1 ZINC000565475691 316329278 /nfs/dbraw/zinc/32/92/78/316329278.db2.gz COJWTSVJKDTPBG-GOSISDBHSA-N 2 1 342.508 3.383 20 0 EGADMP CN(C[C@H](O)C[NH2+]Cc1ccccc1Sc1ccccc1)C1CC1 ZINC000565475691 316329279 /nfs/dbraw/zinc/32/92/79/316329279.db2.gz COJWTSVJKDTPBG-GOSISDBHSA-N 2 1 342.508 3.383 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000565690421 316355622 /nfs/dbraw/zinc/35/56/22/316355622.db2.gz TXBDLEIXEXEJKA-CBQOVEMMSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000565690421 316355624 /nfs/dbraw/zinc/35/56/24/316355624.db2.gz TXBDLEIXEXEJKA-CBQOVEMMSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000565690421 316355628 /nfs/dbraw/zinc/35/56/28/316355628.db2.gz TXBDLEIXEXEJKA-CBQOVEMMSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000565690421 316355632 /nfs/dbraw/zinc/35/56/32/316355632.db2.gz TXBDLEIXEXEJKA-CBQOVEMMSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000565690421 316355635 /nfs/dbraw/zinc/35/56/35/316355635.db2.gz TXBDLEIXEXEJKA-CBQOVEMMSA-N 2 1 341.543 3.361 20 0 EGADMP Cn1ncc2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)cc21 ZINC000570065280 317003600 /nfs/dbraw/zinc/00/36/00/317003600.db2.gz SHGGISUFULJGOA-VQTJNVASSA-N 2 1 334.467 3.498 20 0 EGADMP Cn1ncc2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)cc21 ZINC000570065280 317003602 /nfs/dbraw/zinc/00/36/02/317003602.db2.gz SHGGISUFULJGOA-VQTJNVASSA-N 2 1 334.467 3.498 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(C)(C)C3CCC3)CC2)CC1 ZINC000570864154 317118688 /nfs/dbraw/zinc/11/86/88/317118688.db2.gz QKNIBRDCNUQOEL-UHFFFAOYSA-N 2 1 349.563 3.125 20 0 EGADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000571493042 317206442 /nfs/dbraw/zinc/20/64/42/317206442.db2.gz ZACMTLQZYSXTQL-GOSISDBHSA-N 2 1 346.519 3.091 20 0 EGADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000571493042 317206444 /nfs/dbraw/zinc/20/64/44/317206444.db2.gz ZACMTLQZYSXTQL-GOSISDBHSA-N 2 1 346.519 3.091 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC000572199651 317304944 /nfs/dbraw/zinc/30/49/44/317304944.db2.gz CPPABZYPIMJZLV-OAHLLOKOSA-N 2 1 332.879 3.446 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC000572199651 317304945 /nfs/dbraw/zinc/30/49/45/317304945.db2.gz CPPABZYPIMJZLV-OAHLLOKOSA-N 2 1 332.879 3.446 20 0 EGADMP CCCOc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1OC ZINC000572324775 317321494 /nfs/dbraw/zinc/32/14/94/317321494.db2.gz HVMAFRATRMOETH-MSOLQXFVSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1OC ZINC000572324775 317321495 /nfs/dbraw/zinc/32/14/95/317321495.db2.gz HVMAFRATRMOETH-MSOLQXFVSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1OC ZINC000572324775 317321498 /nfs/dbraw/zinc/32/14/98/317321498.db2.gz HVMAFRATRMOETH-MSOLQXFVSA-N 2 1 332.488 3.400 20 0 EGADMP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000171384575 323232319 /nfs/dbraw/zinc/23/23/19/323232319.db2.gz NRPLBZCTKCFIRR-ROUUACIJSA-N 2 1 345.531 3.134 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000177902895 323347834 /nfs/dbraw/zinc/34/78/34/323347834.db2.gz FZSYLXUAIYJGIV-CZUORRHYSA-N 2 1 330.394 3.404 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000382623992 324252449 /nfs/dbraw/zinc/25/24/49/324252449.db2.gz MPYAGMAKZHVCMV-IXDOHACOSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000395004348 324293027 /nfs/dbraw/zinc/29/30/27/324293027.db2.gz KSUKHUOURLFNGU-HLAWJBBLSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000395004348 324293030 /nfs/dbraw/zinc/29/30/30/324293030.db2.gz KSUKHUOURLFNGU-HLAWJBBLSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000395004348 324293032 /nfs/dbraw/zinc/29/30/32/324293032.db2.gz KSUKHUOURLFNGU-HLAWJBBLSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000395004348 324293037 /nfs/dbraw/zinc/29/30/37/324293037.db2.gz KSUKHUOURLFNGU-HLAWJBBLSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000395004348 324293040 /nfs/dbraw/zinc/29/30/40/324293040.db2.gz KSUKHUOURLFNGU-HLAWJBBLSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000395004348 324293041 /nfs/dbraw/zinc/29/30/41/324293041.db2.gz KSUKHUOURLFNGU-HLAWJBBLSA-N 3 1 329.532 3.219 20 0 EGADMP Cc1cnccc1CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000397526160 324294889 /nfs/dbraw/zinc/29/48/89/324294889.db2.gz QILYPMNGUQNNOX-FGZHOGPDSA-N 2 1 335.495 3.386 20 0 EGADMP Cc1cnccc1CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000397526160 324294891 /nfs/dbraw/zinc/29/48/91/324294891.db2.gz QILYPMNGUQNNOX-FGZHOGPDSA-N 2 1 335.495 3.386 20 0 EGADMP Cc1cnccc1CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000397526160 324294892 /nfs/dbraw/zinc/29/48/92/324294892.db2.gz QILYPMNGUQNNOX-FGZHOGPDSA-N 2 1 335.495 3.386 20 0 EGADMP CC(C)CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C(C)(C)C ZINC000578672476 325002664 /nfs/dbraw/zinc/00/26/64/325002664.db2.gz HLLKYXDXTSVJNN-IAGOWNOFSA-N 2 1 325.541 3.014 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000579287594 325088232 /nfs/dbraw/zinc/08/82/32/325088232.db2.gz LYKYFSGNGLGVIU-DLBZAZTESA-N 2 1 334.504 3.263 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3C[C@@]3(CC)C(C)C)CC2)CC1 ZINC000579373609 325102378 /nfs/dbraw/zinc/10/23/78/325102378.db2.gz ZSHFUSQGQCDRAK-FPOVZHCZSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000579746928 325154216 /nfs/dbraw/zinc/15/42/16/325154216.db2.gz XGQJWDGRFMRASV-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP Cc1ncncc1[C@H](C)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000580095205 325203482 /nfs/dbraw/zinc/20/34/82/325203482.db2.gz LVINDKNCYOWQNN-GOEBONIOSA-N 2 1 330.501 3.409 20 0 EGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000580095205 325203488 /nfs/dbraw/zinc/20/34/88/325203488.db2.gz LVINDKNCYOWQNN-GOEBONIOSA-N 2 1 330.501 3.409 20 0 EGADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000580095205 325203492 /nfs/dbraw/zinc/20/34/92/325203492.db2.gz LVINDKNCYOWQNN-GOEBONIOSA-N 2 1 330.501 3.409 20 0 EGADMP C[C@H](c1cccc2ccccc21)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000580414196 325247355 /nfs/dbraw/zinc/24/73/55/325247355.db2.gz HHMNDOPJMVGCST-QAPCUYQASA-N 2 1 335.455 3.288 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCCC3(C)C)CC2)CC1 ZINC000580658308 325279997 /nfs/dbraw/zinc/27/99/97/325279997.db2.gz KHRSVUIKZDQYKU-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP FC(F)(F)c1ccccc1[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000580893161 325306400 /nfs/dbraw/zinc/30/64/00/325306400.db2.gz IVAXJWJGUIOOBG-QGZVFWFLSA-N 2 1 341.421 3.138 20 0 EGADMP O=C(Nc1cccc2c1CC[NH2+]C2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000581249692 325345945 /nfs/dbraw/zinc/34/59/45/325345945.db2.gz DBAXTHWKLUUYIM-LJQANCHMSA-N 2 1 349.478 3.183 20 0 EGADMP Cn1cncc1CCC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000581318741 325351824 /nfs/dbraw/zinc/35/18/24/325351824.db2.gz GRXQTUTVCTWTQG-HNNXBMFYSA-N 2 1 345.409 3.034 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000581318741 325351827 /nfs/dbraw/zinc/35/18/27/325351827.db2.gz GRXQTUTVCTWTQG-HNNXBMFYSA-N 2 1 345.409 3.034 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000581318741 325351829 /nfs/dbraw/zinc/35/18/29/325351829.db2.gz GRXQTUTVCTWTQG-HNNXBMFYSA-N 2 1 345.409 3.034 20 0 EGADMP C[C@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)Cn1cccn1 ZINC000581404334 325358079 /nfs/dbraw/zinc/35/80/79/325358079.db2.gz WPJWDDWVBKHHHY-GOSISDBHSA-N 2 1 328.504 3.267 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCC(F)(F)C3)sc2C1 ZINC000430036331 458391786 /nfs/dbraw/zinc/39/17/86/458391786.db2.gz DODGEWGXDMAQFD-LBPRGKRZSA-N 2 1 329.460 3.435 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCC(F)(F)C3)sc2C1 ZINC000430036331 458391791 /nfs/dbraw/zinc/39/17/91/458391791.db2.gz DODGEWGXDMAQFD-LBPRGKRZSA-N 2 1 329.460 3.435 20 0 EGADMP CCOc1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc(Cl)c1O ZINC000459580229 458418453 /nfs/dbraw/zinc/41/84/53/458418453.db2.gz AKIQDOJNJRLZTK-UHFFFAOYSA-N 2 1 326.868 3.408 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245575268 455333582 /nfs/dbraw/zinc/33/35/82/455333582.db2.gz HPSHPEBCRNMBCB-VSKRKVRLSA-N 3 1 341.543 3.457 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000245575268 455333587 /nfs/dbraw/zinc/33/35/87/455333587.db2.gz HPSHPEBCRNMBCB-VSKRKVRLSA-N 3 1 341.543 3.457 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000245575268 455333591 /nfs/dbraw/zinc/33/35/91/455333591.db2.gz HPSHPEBCRNMBCB-VSKRKVRLSA-N 3 1 341.543 3.457 20 0 EGADMP CC(C)c1ccccc1NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158926888 455337913 /nfs/dbraw/zinc/33/79/13/455337913.db2.gz SIDMMNREBCXDDE-APWZRJJASA-N 2 1 329.488 3.165 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3CC[NH+](C)CC3)cc2)C1 ZINC000081264096 453854547 /nfs/dbraw/zinc/85/45/47/453854547.db2.gz GHQHALFBOKPTDX-MRXNPFEDSA-N 2 1 329.488 3.199 20 0 EGADMP COc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1Br ZINC000034996608 453922014 /nfs/dbraw/zinc/92/20/14/453922014.db2.gz PLWLJEHNFOVSKL-UHFFFAOYSA-N 2 1 341.293 3.420 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000075819435 453928590 /nfs/dbraw/zinc/92/85/90/453928590.db2.gz UFJLMJMJMXBBDX-UHFFFAOYSA-N 2 1 335.835 3.186 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076425756 454000358 /nfs/dbraw/zinc/00/03/58/454000358.db2.gz NFGMUCDIEMWDEJ-HXUWFJFHSA-N 2 1 343.515 3.163 20 0 EGADMP COc1ccc(Br)cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042396317 454009362 /nfs/dbraw/zinc/00/93/62/454009362.db2.gz MTTZRUMQICVFRN-UHFFFAOYSA-N 2 1 341.293 3.231 20 0 EGADMP Cc1csc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000088603757 454115047 /nfs/dbraw/zinc/11/50/47/454115047.db2.gz SWORNBZPARBNSZ-IYBDPMFKSA-N 2 1 337.533 3.163 20 0 EGADMP Cc1csc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000088603757 454115049 /nfs/dbraw/zinc/11/50/49/454115049.db2.gz SWORNBZPARBNSZ-IYBDPMFKSA-N 2 1 337.533 3.163 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2cc3ccccc3o2)CC1 ZINC000045003420 454132141 /nfs/dbraw/zinc/13/21/41/454132141.db2.gz RPCYJEFDFYWRPU-OAHLLOKOSA-N 2 1 343.471 3.026 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2cc3ccccc3o2)CC1 ZINC000045003420 454132145 /nfs/dbraw/zinc/13/21/45/454132145.db2.gz RPCYJEFDFYWRPU-OAHLLOKOSA-N 2 1 343.471 3.026 20 0 EGADMP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000057889121 454155236 /nfs/dbraw/zinc/15/52/36/454155236.db2.gz NKVAWTYKOXETHI-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CC1CCC(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000057888749 454155245 /nfs/dbraw/zinc/15/52/45/454155245.db2.gz PGPGXJNVEPZPMU-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC000057893869 454155411 /nfs/dbraw/zinc/15/54/11/454155411.db2.gz DVKPPJFGKLKALN-FUHWJXTLSA-N 2 1 345.512 3.160 20 0 EGADMP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000089514004 454158414 /nfs/dbraw/zinc/15/84/14/454158414.db2.gz XNNRJWZKCCMDFC-DRMAHVMPSA-N 2 1 331.504 3.490 20 0 EGADMP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000089514004 454158417 /nfs/dbraw/zinc/15/84/17/454158417.db2.gz XNNRJWZKCCMDFC-DRMAHVMPSA-N 2 1 331.504 3.490 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000089513707 454158535 /nfs/dbraw/zinc/15/85/35/454158535.db2.gz DVVCLHLKTDBPQZ-TXPKVOOTSA-N 2 1 331.504 3.491 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000089513707 454158538 /nfs/dbraw/zinc/15/85/38/454158538.db2.gz DVVCLHLKTDBPQZ-TXPKVOOTSA-N 2 1 331.504 3.491 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCn2cnnc2C2CC2)cc1 ZINC000090032683 454264303 /nfs/dbraw/zinc/26/43/03/454264303.db2.gz ZZCJGIUYUQDFOR-CQSZACIVSA-N 2 1 336.443 3.000 20 0 EGADMP c1ccc(CCOCCC[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000131740513 454281312 /nfs/dbraw/zinc/28/13/12/454281312.db2.gz BNZXABRSHRKPCX-HXUWFJFHSA-N 2 1 326.440 3.184 20 0 EGADMP Cc1ncc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)s1 ZINC000090418858 454302918 /nfs/dbraw/zinc/30/29/18/454302918.db2.gz PLMJXUZUTVORMA-GFCCVEGCSA-N 2 1 331.489 3.178 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC1CC[NH+](Cc2cccnc2)CC1 ZINC000090666868 454334397 /nfs/dbraw/zinc/33/43/97/454334397.db2.gz JPNSWNMBYKKCEK-NRFANRHFSA-N 2 1 344.547 3.146 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)Cc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000090936482 454351582 /nfs/dbraw/zinc/35/15/82/454351582.db2.gz GVEHFAAUQMMCPF-LZLYRXPVSA-N 2 1 334.504 3.202 20 0 EGADMP CC(C)C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccn1 ZINC000132779869 454365909 /nfs/dbraw/zinc/36/59/09/454365909.db2.gz KAPNUFYDWZAAJX-PXNSSMCTSA-N 2 1 331.504 3.259 20 0 EGADMP OC1CC[NH+](CCC[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000091306433 454424821 /nfs/dbraw/zinc/42/48/21/454424821.db2.gz VXZUOUBEIBCQPZ-HXUWFJFHSA-N 2 1 334.479 3.493 20 0 EGADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000047973512 454426176 /nfs/dbraw/zinc/42/61/76/454426176.db2.gz IEKOVPNNHLDJBB-UHFFFAOYSA-N 2 1 328.460 3.290 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000073418227 454434236 /nfs/dbraw/zinc/43/42/36/454434236.db2.gz UCJOPLLTBONAFM-SFHVURJKSA-N 2 1 343.515 3.277 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000121467085 454439472 /nfs/dbraw/zinc/43/94/72/454439472.db2.gz UNOKVTVIZXBFDN-LSDHHAIUSA-N 2 1 342.443 3.135 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000133638270 454449631 /nfs/dbraw/zinc/44/96/31/454449631.db2.gz BCXTUSIMQMMGNE-IPYPFGDCSA-N 2 1 330.394 3.403 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@@H]2c2ccccc2)CC1 ZINC000079905145 454497053 /nfs/dbraw/zinc/49/70/53/454497053.db2.gz CGLUPTSUVYFBEU-HXUWFJFHSA-N 2 1 343.515 3.204 20 0 EGADMP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066944 454511971 /nfs/dbraw/zinc/51/19/71/454511971.db2.gz DYILDWKUHPYWSO-XLIONFOSSA-N 2 1 327.472 3.094 20 0 EGADMP CC(=O)Nc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066944 454511975 /nfs/dbraw/zinc/51/19/75/454511975.db2.gz DYILDWKUHPYWSO-XLIONFOSSA-N 2 1 327.472 3.094 20 0 EGADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066944 454511982 /nfs/dbraw/zinc/51/19/82/454511982.db2.gz DYILDWKUHPYWSO-XLIONFOSSA-N 2 1 327.472 3.094 20 0 EGADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066944 454511987 /nfs/dbraw/zinc/51/19/87/454511987.db2.gz DYILDWKUHPYWSO-XLIONFOSSA-N 2 1 327.472 3.094 20 0 EGADMP CCc1nn(C)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000092391943 454560183 /nfs/dbraw/zinc/56/01/83/454560183.db2.gz XLYUDIKBBPJMCB-IHWFROFDSA-N 2 1 338.499 3.268 20 0 EGADMP CCc1nn(C)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000092391943 454560187 /nfs/dbraw/zinc/56/01/87/454560187.db2.gz XLYUDIKBBPJMCB-IHWFROFDSA-N 2 1 338.499 3.268 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc(-c3ccc(N)cc3)n1)CC[NH2+]CC2 ZINC000634996485 460644593 /nfs/dbraw/zinc/64/45/93/460644593.db2.gz LHPDEBMXWNVACF-MRXNPFEDSA-N 2 1 336.483 3.295 20 0 EGADMP C[N@H+](CCC(=O)OC(C)(C)C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821477 454639410 /nfs/dbraw/zinc/63/94/10/454639410.db2.gz ABHZQNLQCOMBDR-UHFFFAOYSA-N 2 1 347.503 3.352 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)Cc2ccccc2)CC1 ZINC000052208627 454661120 /nfs/dbraw/zinc/66/11/20/454661120.db2.gz CUIFFYQSLCHAMS-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)c1 ZINC000123872781 454684509 /nfs/dbraw/zinc/68/45/09/454684509.db2.gz ZKNAEOIEHQTXEC-IBGZPJMESA-N 2 1 325.456 3.428 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)c1 ZINC000123872781 454684513 /nfs/dbraw/zinc/68/45/13/454684513.db2.gz ZKNAEOIEHQTXEC-IBGZPJMESA-N 2 1 325.456 3.428 20 0 EGADMP CCCCOc1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000136188877 454727388 /nfs/dbraw/zinc/72/73/88/454727388.db2.gz PSHUYBZZMIFMEC-HXUWFJFHSA-N 2 1 345.531 3.077 20 0 EGADMP Cc1nccn1CCCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000161904216 454735012 /nfs/dbraw/zinc/73/50/12/454735012.db2.gz VDWQTMQOTXUSKO-FQEVSTJZSA-N 2 1 332.536 3.416 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000161904216 454735017 /nfs/dbraw/zinc/73/50/17/454735017.db2.gz VDWQTMQOTXUSKO-FQEVSTJZSA-N 3 1 332.536 3.416 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000161904216 454735023 /nfs/dbraw/zinc/73/50/23/454735023.db2.gz VDWQTMQOTXUSKO-FQEVSTJZSA-N 3 1 332.536 3.416 20 0 EGADMP Cc1ccc(C[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C2CC2)cc1 ZINC000124545988 454746826 /nfs/dbraw/zinc/74/68/26/454746826.db2.gz GCDBYOCHMHUKAJ-JOCHJYFZSA-N 2 1 343.559 3.179 20 0 EGADMP COc1ccc(C(C)(C)C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000153170566 454767043 /nfs/dbraw/zinc/76/70/43/454767043.db2.gz AJLTVIARIJYCPH-INMHGKMJSA-N 2 1 334.504 3.300 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000162435898 454775715 /nfs/dbraw/zinc/77/57/15/454775715.db2.gz CTWXCLSDVTVXDQ-SFHVURJKSA-N 2 1 326.488 3.458 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCC[C@H]4OCC[C@@H]43)CC2)cc1 ZINC000124937291 454784168 /nfs/dbraw/zinc/78/41/68/454784168.db2.gz CSIGOTOCEVAZIM-QHAWAJNXSA-N 2 1 346.490 3.380 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000162723163 454796704 /nfs/dbraw/zinc/79/67/04/454796704.db2.gz XVMSIJQWXHSDFT-KDOFPFPSSA-N 2 1 329.419 3.443 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000162723163 454796707 /nfs/dbraw/zinc/79/67/07/454796707.db2.gz XVMSIJQWXHSDFT-KDOFPFPSSA-N 2 1 329.419 3.443 20 0 EGADMP CCn1cc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cn1 ZINC000162758116 454798512 /nfs/dbraw/zinc/79/85/12/454798512.db2.gz BFKHCXMPMVGMHW-OAHLLOKOSA-N 2 1 345.491 3.071 20 0 EGADMP C[N@H+]1CCC[C@H]1CCN(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000125162860 454801256 /nfs/dbraw/zinc/80/12/56/454801256.db2.gz TYWCIGDWQPRJPP-OALUTQOASA-N 2 1 328.456 3.300 20 0 EGADMP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000125162860 454801260 /nfs/dbraw/zinc/80/12/60/454801260.db2.gz TYWCIGDWQPRJPP-OALUTQOASA-N 2 1 328.456 3.300 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000125162860 454801265 /nfs/dbraw/zinc/80/12/65/454801265.db2.gz TYWCIGDWQPRJPP-OALUTQOASA-N 2 1 328.456 3.300 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000125162860 454801272 /nfs/dbraw/zinc/80/12/72/454801272.db2.gz TYWCIGDWQPRJPP-OALUTQOASA-N 2 1 328.456 3.300 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000125162860 454801277 /nfs/dbraw/zinc/80/12/77/454801277.db2.gz TYWCIGDWQPRJPP-OALUTQOASA-N 2 1 328.456 3.300 20 0 EGADMP C[N@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc4ccccc4c3)CC[C@@H]21 ZINC000140036453 454814987 /nfs/dbraw/zinc/81/49/87/454814987.db2.gz YQRGMEMJQVDGCM-ICSRJNTNSA-N 2 1 337.467 3.194 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC1([NH+]2CCSCC2)CCCCC1 ZINC000163032396 454818672 /nfs/dbraw/zinc/81/86/72/454818672.db2.gz RYVMYWNGOSKCAO-SQNIBIBYSA-N 2 1 339.593 3.056 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000163032396 454818675 /nfs/dbraw/zinc/81/86/75/454818675.db2.gz RYVMYWNGOSKCAO-SQNIBIBYSA-N 2 1 339.593 3.056 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000163032396 454818680 /nfs/dbraw/zinc/81/86/80/454818680.db2.gz RYVMYWNGOSKCAO-SQNIBIBYSA-N 2 1 339.593 3.056 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000153726961 454826170 /nfs/dbraw/zinc/82/61/70/454826170.db2.gz ILXMGWJXQDMNPC-AWEZNQCLSA-N 2 1 346.450 3.056 20 0 EGADMP COc1ccc(Oc2cc(CN[C@H]3CC[N@@H+](C)[C@@H](C)C3)ccn2)cc1 ZINC000163438232 454847572 /nfs/dbraw/zinc/84/75/72/454847572.db2.gz NWZVRDKGWBTVMW-RDJZCZTQSA-N 2 1 341.455 3.455 20 0 EGADMP COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(Br)cc1F ZINC000125863569 454852825 /nfs/dbraw/zinc/85/28/25/454852825.db2.gz HQYBTWWUEMDCFA-LBPRGKRZSA-N 2 1 347.272 3.207 20 0 EGADMP COCCN(C)CCC[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000125863569 454852827 /nfs/dbraw/zinc/85/28/27/454852827.db2.gz HQYBTWWUEMDCFA-LBPRGKRZSA-N 2 1 347.272 3.207 20 0 EGADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000154354964 454888314 /nfs/dbraw/zinc/88/83/14/454888314.db2.gz JFCCXJGZHTUQGS-RBUKOAKNSA-N 2 1 332.875 3.136 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2)n1 ZINC000150773344 454889887 /nfs/dbraw/zinc/88/98/87/454889887.db2.gz MQDUIHFSIGEPPO-FQEVSTJZSA-N 2 1 338.499 3.407 20 0 EGADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000165884694 454905853 /nfs/dbraw/zinc/90/58/53/454905853.db2.gz YRLORWGMBOFHCI-OXJNMPFZSA-N 2 1 345.531 3.441 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CC[N@@H+]1C ZINC000166154738 454908492 /nfs/dbraw/zinc/90/84/92/454908492.db2.gz WKLDNKMAEKGVAZ-PBHICJAKSA-N 2 1 337.458 3.002 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CC[N@H+]1C ZINC000166154738 454908494 /nfs/dbraw/zinc/90/84/94/454908494.db2.gz WKLDNKMAEKGVAZ-PBHICJAKSA-N 2 1 337.458 3.002 20 0 EGADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc3ccccc3n2)CC1 ZINC000178005672 454926232 /nfs/dbraw/zinc/92/62/32/454926232.db2.gz PAEMZKFRENNTSY-SFHVURJKSA-N 2 1 340.515 3.303 20 0 EGADMP Cc1nc2c(s1)[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000178039333 454929672 /nfs/dbraw/zinc/92/96/72/454929672.db2.gz PJTZPYIOPKMERH-LZWOXQAQSA-N 2 1 337.533 3.308 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000178233807 454944371 /nfs/dbraw/zinc/94/43/71/454944371.db2.gz QARVUOWEEIYVJD-HOCLYGCPSA-N 2 1 332.517 3.353 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000178233807 454944372 /nfs/dbraw/zinc/94/43/72/454944372.db2.gz QARVUOWEEIYVJD-HOCLYGCPSA-N 2 1 332.517 3.353 20 0 EGADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000155112989 454964961 /nfs/dbraw/zinc/96/49/61/454964961.db2.gz ZEFLPZLZJCJWSA-IAGOWNOFSA-N 2 1 327.472 3.233 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000178698991 454968145 /nfs/dbraw/zinc/96/81/45/454968145.db2.gz SZSUAMHBNUIQAF-PXNSSMCTSA-N 2 1 326.488 3.082 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(-c2ccncc2)c1 ZINC000151349657 454973381 /nfs/dbraw/zinc/97/33/81/454973381.db2.gz JDBHGRSHCUVLBC-UTKZUKDTSA-N 2 1 339.483 3.246 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000178797485 454978856 /nfs/dbraw/zinc/97/88/56/454978856.db2.gz XCIZONKCELMMKE-GOSISDBHSA-N 2 1 346.519 3.238 20 0 EGADMP COc1ccc(Br)cc1C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000179149326 455013010 /nfs/dbraw/zinc/01/30/10/455013010.db2.gz NOUHQAJJHHMOTL-XUJVJEKNSA-N 2 1 341.293 3.276 20 0 EGADMP COc1ccc(Br)cc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000179149326 455013014 /nfs/dbraw/zinc/01/30/14/455013014.db2.gz NOUHQAJJHHMOTL-XUJVJEKNSA-N 2 1 341.293 3.276 20 0 EGADMP COc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000179149342 455013530 /nfs/dbraw/zinc/01/35/30/455013530.db2.gz NOUHQAJJHHMOTL-LALPHHSUSA-N 2 1 341.293 3.276 20 0 EGADMP COc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000179149342 455013532 /nfs/dbraw/zinc/01/35/32/455013532.db2.gz NOUHQAJJHHMOTL-LALPHHSUSA-N 2 1 341.293 3.276 20 0 EGADMP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000179482255 455050666 /nfs/dbraw/zinc/05/06/66/455050666.db2.gz NERDVHZHBKTPJG-YJBOKZPZSA-N 2 1 327.428 3.048 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000116308474 455052503 /nfs/dbraw/zinc/05/25/03/455052503.db2.gz OKKZVQIHDSJMQF-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(F)cc3C)C2)[C@H](C)C1 ZINC000129060356 455097079 /nfs/dbraw/zinc/09/70/79/455097079.db2.gz AXCLYWWUJPNTPV-QRQLOZEOSA-N 2 1 333.495 3.423 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000623656204 460663029 /nfs/dbraw/zinc/66/30/29/460663029.db2.gz PAPZQBWTHBSNMR-QGZVFWFLSA-N 2 1 326.444 3.090 20 0 EGADMP CC[NH+](CC)[C@@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(OC)c1 ZINC000119033102 455121528 /nfs/dbraw/zinc/12/15/28/455121528.db2.gz OYOJPNWKEYSUGR-POAQFYNOSA-N 2 1 333.520 3.150 20 0 EGADMP COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000119192807 455132059 /nfs/dbraw/zinc/13/20/59/455132059.db2.gz KZHNXLABBJEGKI-NSHGMRRFSA-N 2 1 345.531 3.295 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC[N@@H+]1C ZINC000156567434 455134040 /nfs/dbraw/zinc/13/40/40/455134040.db2.gz WVQFYRVXITWAGV-CSMYWGQOSA-N 2 1 337.305 3.379 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC[N@H+]1C ZINC000156567434 455134042 /nfs/dbraw/zinc/13/40/42/455134042.db2.gz WVQFYRVXITWAGV-CSMYWGQOSA-N 2 1 337.305 3.379 20 0 EGADMP C[N@H+]1CCCC[C@@H](CN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657175 460665604 /nfs/dbraw/zinc/66/56/04/460665604.db2.gz KUTFAXOZLOFRDX-VQTJNVASSA-N 2 1 329.532 3.361 20 0 EGADMP C[NH+]1CCCC[C@@H](CN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657175 460665612 /nfs/dbraw/zinc/66/56/12/460665612.db2.gz KUTFAXOZLOFRDX-VQTJNVASSA-N 2 1 329.532 3.361 20 0 EGADMP C[NH+]1CCCC[C@@H](CN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657175 460665621 /nfs/dbraw/zinc/66/56/21/460665621.db2.gz KUTFAXOZLOFRDX-VQTJNVASSA-N 2 1 329.532 3.361 20 0 EGADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657175 460665626 /nfs/dbraw/zinc/66/56/26/460665626.db2.gz KUTFAXOZLOFRDX-VQTJNVASSA-N 2 1 329.532 3.361 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000623657175 460665635 /nfs/dbraw/zinc/66/56/35/460665635.db2.gz KUTFAXOZLOFRDX-VQTJNVASSA-N 2 1 329.532 3.361 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000263963497 455173794 /nfs/dbraw/zinc/17/37/94/455173794.db2.gz JKNKJVYXDWKITG-HXUWFJFHSA-N 2 1 343.515 3.156 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000237350473 455176517 /nfs/dbraw/zinc/17/65/17/455176517.db2.gz WCYCNERLXSCVRS-ZDUSSCGKSA-N 2 1 327.407 3.147 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000237714050 455210916 /nfs/dbraw/zinc/21/09/16/455210916.db2.gz BAVZFPBKEHZXEF-ZIFCJYIRSA-N 2 1 345.531 3.339 20 0 EGADMP CC(C)OC(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000173491388 455292791 /nfs/dbraw/zinc/29/27/91/455292791.db2.gz BJTZPZODNVSTCT-HKUYNNGSSA-N 2 1 332.488 3.313 20 0 EGADMP CC(C)OC(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000173491388 455292797 /nfs/dbraw/zinc/29/27/97/455292797.db2.gz BJTZPZODNVSTCT-HKUYNNGSSA-N 2 1 332.488 3.313 20 0 EGADMP CC(C)OC(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000173491388 455292801 /nfs/dbraw/zinc/29/28/01/455292801.db2.gz BJTZPZODNVSTCT-HKUYNNGSSA-N 2 1 332.488 3.313 20 0 EGADMP CC(C)OC(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000173491388 455292805 /nfs/dbraw/zinc/29/28/05/455292805.db2.gz BJTZPZODNVSTCT-HKUYNNGSSA-N 2 1 332.488 3.313 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC[C@@H]21 ZINC000245514838 455319741 /nfs/dbraw/zinc/31/97/41/455319741.db2.gz GKIVDDMIDIWRLD-NRSPTQNISA-N 2 1 344.499 3.161 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC[C@@H]21 ZINC000245514838 455319745 /nfs/dbraw/zinc/31/97/45/455319745.db2.gz GKIVDDMIDIWRLD-NRSPTQNISA-N 2 1 344.499 3.161 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000245633579 455345769 /nfs/dbraw/zinc/34/57/69/455345769.db2.gz WBNKLMFWBDROLT-AEGPPILISA-N 2 1 325.522 3.164 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccccn3)CC2)oc1C ZINC000159111742 455352684 /nfs/dbraw/zinc/35/26/84/455352684.db2.gz SPTVHMXQXBZWLT-OAHLLOKOSA-N 2 1 328.460 3.249 20 0 EGADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000182087818 455433214 /nfs/dbraw/zinc/43/32/14/455433214.db2.gz HXQRZDNKXARFCY-KXBFYZLASA-N 2 1 348.462 3.130 20 0 EGADMP c1snnc1C[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000182186943 455456607 /nfs/dbraw/zinc/45/66/07/455456607.db2.gz CKBTZFDLLCHCBA-UHFFFAOYSA-N 2 1 344.528 3.363 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000182258748 455474972 /nfs/dbraw/zinc/47/49/72/455474972.db2.gz FAEDGEPGQNIRNY-PZJWPPBQSA-N 2 1 340.442 3.169 20 0 EGADMP Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000266934643 455478374 /nfs/dbraw/zinc/47/83/74/455478374.db2.gz PODNNHMNWLTZJL-JKSUJKDBSA-N 2 1 326.444 3.233 20 0 EGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1nc(-c2ccccc2)no1 ZINC000191492741 455489816 /nfs/dbraw/zinc/48/98/16/455489816.db2.gz AHMWOPYDEWJUQI-UHFFFAOYSA-N 2 1 339.443 3.408 20 0 EGADMP CCCn1ccnc1CCCN(C)Cc1nc(-c2ccccc2)no1 ZINC000191492741 455489822 /nfs/dbraw/zinc/48/98/22/455489822.db2.gz AHMWOPYDEWJUQI-UHFFFAOYSA-N 2 1 339.443 3.408 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000246491738 455500408 /nfs/dbraw/zinc/50/04/08/455500408.db2.gz IJGAWIWUGQMYIK-YZGWKJHDSA-N 2 1 343.515 3.030 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246491738 455500409 /nfs/dbraw/zinc/50/04/09/455500409.db2.gz IJGAWIWUGQMYIK-YZGWKJHDSA-N 2 1 343.515 3.030 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246491738 455500411 /nfs/dbraw/zinc/50/04/11/455500411.db2.gz IJGAWIWUGQMYIK-YZGWKJHDSA-N 2 1 343.515 3.030 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3C)CCOCC2)[C@@H](C)C1 ZINC000246874024 455532661 /nfs/dbraw/zinc/53/26/61/455532661.db2.gz DPZMTJUVWRMTIK-ICSRJNTNSA-N 2 1 330.516 3.363 20 0 EGADMP C[NH+](C)CCc1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000267401416 455550080 /nfs/dbraw/zinc/55/00/80/455550080.db2.gz ZWIVOBWWQUIAPP-SFHVURJKSA-N 2 1 343.515 3.384 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192105837 455557056 /nfs/dbraw/zinc/55/70/56/455557056.db2.gz YHWQPDFAHXCGQZ-IAOVAPTHSA-N 2 1 326.843 3.383 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192138284 455563201 /nfs/dbraw/zinc/56/32/01/455563201.db2.gz GNNADEYTAIZWDF-QZTJIDSGSA-N 2 1 335.398 3.370 20 0 EGADMP COc1ccccc1CCC[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000182667156 455564211 /nfs/dbraw/zinc/56/42/11/455564211.db2.gz UCRRHAGUVKSPLF-QGZVFWFLSA-N 2 1 327.472 3.316 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000247303843 455586145 /nfs/dbraw/zinc/58/61/45/455586145.db2.gz VIBQFZRPCDNRIF-LPHOPBHVSA-N 2 1 329.488 3.395 20 0 EGADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247439575 455601023 /nfs/dbraw/zinc/60/10/23/455601023.db2.gz ISCFOIMGFQQAPQ-JKIFEVAISA-N 2 1 346.862 3.447 20 0 EGADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247439575 455601025 /nfs/dbraw/zinc/60/10/25/455601025.db2.gz ISCFOIMGFQQAPQ-JKIFEVAISA-N 2 1 346.862 3.447 20 0 EGADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000292267422 455613302 /nfs/dbraw/zinc/61/33/02/455613302.db2.gz TZIPRZRPHDXOOU-INIZCTEOSA-N 2 1 331.504 3.304 20 0 EGADMP Cc1csc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)n1 ZINC000284150318 455643717 /nfs/dbraw/zinc/64/37/17/455643717.db2.gz VQSNQWBDHAODNG-UHFFFAOYSA-N 2 1 331.485 3.214 20 0 EGADMP Oc1ccc2c(c1)[C@@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CCC2 ZINC000284182673 455648607 /nfs/dbraw/zinc/64/86/07/455648607.db2.gz RCOWZSDHBKEAPA-IBGZPJMESA-N 2 1 330.472 3.004 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](CC)C[C@H]1C)c1cccc(OC)c1 ZINC000247892861 455653753 /nfs/dbraw/zinc/65/37/53/455653753.db2.gz FVRCKKKUKPTYRT-JRGCBEDISA-N 2 1 347.547 3.398 20 0 EGADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000271508798 455664810 /nfs/dbraw/zinc/66/48/10/455664810.db2.gz NLCZMUCYQIZIBI-GUDVDZBRSA-N 2 1 348.462 3.007 20 0 EGADMP CC(C)CC[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247993836 455667738 /nfs/dbraw/zinc/66/77/38/455667738.db2.gz JSLXWKGUQYZPAX-YLJYHZDGSA-N 2 1 345.531 3.298 20 0 EGADMP C[N@H+]1CCC[C@H]2CN(Cc3nnc(-c4cccc(Cl)c4)o3)CC[C@H]21 ZINC000247998772 455667943 /nfs/dbraw/zinc/66/79/43/455667943.db2.gz KDXDQRYRMCDUOG-GOEBONIOSA-N 2 1 346.862 3.306 20 0 EGADMP COc1cccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)[NH+]2CCCC2)c1 ZINC000248021305 455670701 /nfs/dbraw/zinc/67/07/01/455670701.db2.gz NWFMYUJINMRXHU-NLEAXPPASA-N 2 1 345.531 3.150 20 0 EGADMP COc1cccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)N2CCCC2)c1 ZINC000248021305 455670708 /nfs/dbraw/zinc/67/07/08/455670708.db2.gz NWFMYUJINMRXHU-NLEAXPPASA-N 2 1 345.531 3.150 20 0 EGADMP O[C@H]([C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1)C(F)(F)F ZINC000277812178 455673283 /nfs/dbraw/zinc/67/32/83/455673283.db2.gz QGLGYFIMBXVBBL-GOEBONIOSA-N 2 1 339.361 3.008 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000271555449 455683311 /nfs/dbraw/zinc/68/33/11/455683311.db2.gz WPVYSOOVAGCJFN-FMKPAKJESA-N 2 1 330.501 3.066 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(Cc3coc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000248178127 455695323 /nfs/dbraw/zinc/69/53/23/455695323.db2.gz VZPPTTSJSYNWJH-CRAIPNDOSA-N 2 1 329.419 3.397 20 0 EGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635141258 460688450 /nfs/dbraw/zinc/68/84/50/460688450.db2.gz PRIRUARCIOAZKS-HXUWFJFHSA-N 2 1 343.515 3.162 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)cc1 ZINC000268919428 455731015 /nfs/dbraw/zinc/73/10/15/455731015.db2.gz JRHCVBKQMKJFQN-DNVCBOLYSA-N 2 1 344.528 3.269 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000248878702 455736707 /nfs/dbraw/zinc/73/67/07/455736707.db2.gz OSTNIMMOZASDKT-SQNIBIBYSA-N 2 1 334.504 3.059 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000248878702 455736714 /nfs/dbraw/zinc/73/67/14/455736714.db2.gz OSTNIMMOZASDKT-SQNIBIBYSA-N 2 1 334.504 3.059 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000248878702 455736720 /nfs/dbraw/zinc/73/67/20/455736720.db2.gz OSTNIMMOZASDKT-SQNIBIBYSA-N 2 1 334.504 3.059 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000248878702 455736724 /nfs/dbraw/zinc/73/67/24/455736724.db2.gz OSTNIMMOZASDKT-SQNIBIBYSA-N 2 1 334.504 3.059 20 0 EGADMP CC[C@H]1Oc2cc([C@H](C)[NH2+]CCCn3cc[nH+]c3C)ccc2NC1=O ZINC000271739916 455741013 /nfs/dbraw/zinc/74/10/13/455741013.db2.gz PJCNQBOSEQEMLJ-SUMWQHHRSA-N 2 1 342.443 3.042 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CCC4OCCCO4)CC[C@@H]32)cc1 ZINC000268975820 455750745 /nfs/dbraw/zinc/75/07/45/455750745.db2.gz JDBKGKSEYKCGSN-PMACEKPBSA-N 2 1 344.499 3.126 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CCC4OCCCO4)CC[C@@H]32)cc1 ZINC000268975820 455750753 /nfs/dbraw/zinc/75/07/53/455750753.db2.gz JDBKGKSEYKCGSN-PMACEKPBSA-N 2 1 344.499 3.126 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CCC4OCCCO4)CC[C@@H]32)cc1 ZINC000268975820 455750758 /nfs/dbraw/zinc/75/07/58/455750758.db2.gz JDBKGKSEYKCGSN-PMACEKPBSA-N 2 1 344.499 3.126 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[NH+]1C1CC1 ZINC000269083892 455786175 /nfs/dbraw/zinc/78/61/75/455786175.db2.gz PDFWAEPOSAEXBH-LFGUQSLTSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[NH+]1C1CC1 ZINC000269083892 455786181 /nfs/dbraw/zinc/78/61/81/455786181.db2.gz PDFWAEPOSAEXBH-LFGUQSLTSA-N 2 1 327.516 3.254 20 0 EGADMP CCCN(C(=O)c1ccc(C[N@@H+](CC)CCC)cc1)[C@@H]1CC[NH2+]C1 ZINC000269167935 455802030 /nfs/dbraw/zinc/80/20/30/455802030.db2.gz GICFIVJTTFSDFS-LJQANCHMSA-N 2 1 331.504 3.133 20 0 EGADMP CCc1nnc([C@H](C)[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000285323634 455823540 /nfs/dbraw/zinc/82/35/40/455823540.db2.gz TYAIXBRWWJYDPE-ZLPCBKJTSA-N 2 1 341.503 3.461 20 0 EGADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000253554887 455853923 /nfs/dbraw/zinc/85/39/23/455853923.db2.gz WVAZCPFYEUILPY-JXFKEZNVSA-N 2 1 337.467 3.389 20 0 EGADMP O=c1[nH]c2ccccc2cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000253554887 455853929 /nfs/dbraw/zinc/85/39/29/455853929.db2.gz WVAZCPFYEUILPY-JXFKEZNVSA-N 2 1 337.467 3.389 20 0 EGADMP O=c1[nH]c2ccccc2cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000253554887 455853935 /nfs/dbraw/zinc/85/39/35/455853935.db2.gz WVAZCPFYEUILPY-JXFKEZNVSA-N 2 1 337.467 3.389 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000285505239 455860150 /nfs/dbraw/zinc/86/01/50/455860150.db2.gz CYBOLDXKAKDEKS-OAGGEKHMSA-N 2 1 345.487 3.036 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3c(OC)cccc32)CC1 ZINC000194849268 455890774 /nfs/dbraw/zinc/89/07/74/455890774.db2.gz OBGZKWDGJLNGNE-HXUWFJFHSA-N 2 1 345.531 3.080 20 0 EGADMP N[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000261625722 455915853 /nfs/dbraw/zinc/91/58/53/455915853.db2.gz DLZFAIHUFRUSTH-ZWKOTPCHSA-N 2 1 343.858 3.095 20 0 EGADMP N[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000261625722 455915856 /nfs/dbraw/zinc/91/58/56/455915856.db2.gz DLZFAIHUFRUSTH-ZWKOTPCHSA-N 2 1 343.858 3.095 20 0 EGADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261652747 455922565 /nfs/dbraw/zinc/92/25/65/455922565.db2.gz GLZCTVGDWLUIHM-IPELMVKDSA-N 2 1 348.450 3.472 20 0 EGADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261652747 455922571 /nfs/dbraw/zinc/92/25/71/455922571.db2.gz GLZCTVGDWLUIHM-IPELMVKDSA-N 2 1 348.450 3.472 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)[C@H](C)C1 ZINC000280308924 455944046 /nfs/dbraw/zinc/94/40/46/455944046.db2.gz PKIJOMRDWVWWHW-RHSMWYFYSA-N 2 1 344.421 3.490 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H]1c1ccccc1 ZINC000261814729 455953321 /nfs/dbraw/zinc/95/33/21/455953321.db2.gz RTJNKCANHWIISB-CTNGQTDRSA-N 2 1 332.451 3.047 20 0 EGADMP COc1ccc(C[N@@H+](CCc2ccccn2)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000261912996 455970064 /nfs/dbraw/zinc/97/00/64/455970064.db2.gz JNGYJMJMHPPVBF-LJQANCHMSA-N 2 1 339.483 3.135 20 0 EGADMP COc1ccc(C[N@@H+](CCc2ccccn2)C[C@H]2CCC[NH2+]C2)cc1 ZINC000261912985 455970641 /nfs/dbraw/zinc/97/06/41/455970641.db2.gz JNGYJMJMHPPVBF-IBGZPJMESA-N 2 1 339.483 3.135 20 0 EGADMP C[C@H](CCCO)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000286066880 455971009 /nfs/dbraw/zinc/97/10/09/455971009.db2.gz LQCXKDLOPJVMTG-CWJKEVGVSA-N 2 1 330.516 3.428 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000261982343 455981346 /nfs/dbraw/zinc/98/13/46/455981346.db2.gz RNKFRAZALFXZCO-GFCCVEGCSA-N 2 1 344.286 3.253 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(N(C)C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272531219 455983907 /nfs/dbraw/zinc/98/39/07/455983907.db2.gz ARBHAAONYZPMEV-HKUYNNGSSA-N 2 1 338.499 3.148 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(N(C)C)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272531219 455983909 /nfs/dbraw/zinc/98/39/09/455983909.db2.gz ARBHAAONYZPMEV-HKUYNNGSSA-N 2 1 338.499 3.148 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000262032248 455987176 /nfs/dbraw/zinc/98/71/76/455987176.db2.gz XIFLKIMFYJAHNX-NEPJUHHUSA-N 2 1 338.377 3.265 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC[C@H]3CCCCO3)CC2)cc1 ZINC000272585822 456003999 /nfs/dbraw/zinc/00/39/99/456003999.db2.gz RGSUGSWXIAZOMQ-HXUWFJFHSA-N 2 1 334.479 3.381 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CSCCS1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272668526 456032695 /nfs/dbraw/zinc/03/26/95/456032695.db2.gz OTHWLXJLOXXNHV-SZMVWBNQSA-N 2 1 336.570 3.335 20 0 EGADMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1c(Cl)cccc1Cl ZINC000262498992 456040546 /nfs/dbraw/zinc/04/05/46/456040546.db2.gz LUOSBXYBGFKJAP-FZMZJTMJSA-N 2 1 342.270 3.006 20 0 EGADMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1c(Cl)cccc1Cl ZINC000262498992 456040553 /nfs/dbraw/zinc/04/05/53/456040553.db2.gz LUOSBXYBGFKJAP-FZMZJTMJSA-N 2 1 342.270 3.006 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000301514020 456134775 /nfs/dbraw/zinc/13/47/75/456134775.db2.gz HMLBEVPWUPSKMS-YVSFHVDLSA-N 2 1 337.508 3.039 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000301514020 456134779 /nfs/dbraw/zinc/13/47/79/456134779.db2.gz HMLBEVPWUPSKMS-YVSFHVDLSA-N 2 1 337.508 3.039 20 0 EGADMP COCOc1ccc(OC)cc1C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000271246101 456189895 /nfs/dbraw/zinc/18/98/95/456189895.db2.gz VNUJIWYDKRHGGB-GOSISDBHSA-N 2 1 338.492 3.134 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000297402659 456210212 /nfs/dbraw/zinc/21/02/12/456210212.db2.gz KOPQZIKJVDREQW-CQSZACIVSA-N 2 1 328.435 3.289 20 0 EGADMP C[N@H+](CCC[NH+]1CCCC1)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000281367920 456214460 /nfs/dbraw/zinc/21/44/60/456214460.db2.gz OIHYCXYFUXWLIQ-UHFFFAOYSA-N 2 1 348.878 3.350 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000281367920 456214468 /nfs/dbraw/zinc/21/44/68/456214468.db2.gz OIHYCXYFUXWLIQ-UHFFFAOYSA-N 2 1 348.878 3.350 20 0 EGADMP Cc1cn2ccc(NC(=O)[C@H](C)[N@@H+]3CCc4ccccc4C3)cc2n1 ZINC000620649698 460719456 /nfs/dbraw/zinc/71/94/56/460719456.db2.gz ANWNQMSVTXCWOI-HNNXBMFYSA-N 2 1 334.423 3.028 20 0 EGADMP Cc1cn2ccc(NC(=O)[C@H](C)[N@H+]3CCc4ccccc4C3)cc2n1 ZINC000620649698 460719464 /nfs/dbraw/zinc/71/94/64/460719464.db2.gz ANWNQMSVTXCWOI-HNNXBMFYSA-N 2 1 334.423 3.028 20 0 EGADMP Cn1cncc1C[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000237155624 456238828 /nfs/dbraw/zinc/23/88/28/456238828.db2.gz ODUSZRRJJQGUPE-UHFFFAOYSA-N 2 1 326.488 3.474 20 0 EGADMP CCOC1CC(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000189249342 456264064 /nfs/dbraw/zinc/26/40/64/456264064.db2.gz ZDFINJLOENYTLZ-UHFFFAOYSA-N 2 1 330.516 3.488 20 0 EGADMP c1ccc2c(c1)CC1(CCOCC1)[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000290233473 456272566 /nfs/dbraw/zinc/27/25/66/456272566.db2.gz RXRQDFIPSKNGOA-NLWGTHIKSA-N 2 1 326.484 3.297 20 0 EGADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000290265976 456277347 /nfs/dbraw/zinc/27/73/47/456277347.db2.gz XYGXKWLAHOEXMI-FUHWJXTLSA-N 2 1 329.488 3.375 20 0 EGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281630983 456278633 /nfs/dbraw/zinc/27/86/33/456278633.db2.gz OHCZGLWNPIAKNF-XUVXKRRUSA-N 2 1 347.478 3.029 20 0 EGADMP CCC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1nnc2ccccn21 ZINC000347660744 456288001 /nfs/dbraw/zinc/28/80/01/456288001.db2.gz YBLHEUJGPFUYNG-INIZCTEOSA-N 2 1 326.448 3.145 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2cn3c(n2)CCCC3)C[C@H]1c1ccccc1 ZINC000340176366 456293278 /nfs/dbraw/zinc/29/32/78/456293278.db2.gz WSPWPFAGQZZYLI-QUCCMNQESA-N 2 1 338.499 3.187 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cn3c(n2)CCCC3)C[C@H]1c1ccccc1 ZINC000340176366 456293282 /nfs/dbraw/zinc/29/32/82/456293282.db2.gz WSPWPFAGQZZYLI-QUCCMNQESA-N 2 1 338.499 3.187 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COc3ccccc3O2)C[C@H]1c1ccccc1 ZINC000340176048 456293366 /nfs/dbraw/zinc/29/33/66/456293366.db2.gz ALRVORSXIVQAIE-OTWHNJEPSA-N 2 1 338.451 3.252 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2COc3ccccc3O2)C[C@H]1c1ccccc1 ZINC000340176048 456293369 /nfs/dbraw/zinc/29/33/69/456293369.db2.gz ALRVORSXIVQAIE-OTWHNJEPSA-N 2 1 338.451 3.252 20 0 EGADMP CC[NH+](CC)CCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352818286 456334783 /nfs/dbraw/zinc/33/47/83/456334783.db2.gz UGSPZLGKLXFORO-NRFANRHFSA-N 2 1 329.532 3.316 20 0 EGADMP CCCN(C(=O)C[NH+](CC)CC)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000337604228 456415648 /nfs/dbraw/zinc/41/56/48/456415648.db2.gz OVSRCACLQJPASE-FQEVSTJZSA-N 2 1 345.531 3.231 20 0 EGADMP CO[C@H](CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(F)(F)F ZINC000340365982 456416716 /nfs/dbraw/zinc/41/67/16/456416716.db2.gz NQYKIMLWWVOWII-HRCADAONSA-N 2 1 330.394 3.379 20 0 EGADMP CO[C@H](CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(F)(F)F ZINC000340365982 456416725 /nfs/dbraw/zinc/41/67/25/456416725.db2.gz NQYKIMLWWVOWII-HRCADAONSA-N 2 1 330.394 3.379 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000348021925 456439150 /nfs/dbraw/zinc/43/91/50/456439150.db2.gz QHTIJXCGSWDTAR-FXAWDEMLSA-N 2 1 345.531 3.156 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1(C)C ZINC000282222733 456447702 /nfs/dbraw/zinc/44/77/02/456447702.db2.gz IBYZCZLVJNEIHA-MOPGFXCFSA-N 2 1 329.532 3.184 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000282407016 456503574 /nfs/dbraw/zinc/50/35/74/456503574.db2.gz RZIKJUAHNMVGOW-IUPXNIOVSA-N 2 1 338.442 3.167 20 0 EGADMP CCOC(CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)OCC ZINC000276530614 456508079 /nfs/dbraw/zinc/50/80/79/456508079.db2.gz NPLXJLSCXUPTKZ-PKOBYXMFSA-N 2 1 334.504 3.418 20 0 EGADMP CCOC(CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OCC ZINC000276530614 456508080 /nfs/dbraw/zinc/50/80/80/456508080.db2.gz NPLXJLSCXUPTKZ-PKOBYXMFSA-N 2 1 334.504 3.418 20 0 EGADMP CCC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(OC)cc1 ZINC000282423984 456508737 /nfs/dbraw/zinc/50/87/37/456508737.db2.gz SUNBHQYEBHHOAC-IBGZPJMESA-N 2 1 333.520 3.152 20 0 EGADMP Cc1nc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000348138622 456510813 /nfs/dbraw/zinc/51/08/13/456510813.db2.gz FZMZNWADNGYCRU-HNAYVOBHSA-N 2 1 327.472 3.334 20 0 EGADMP CCC[C@](C)([NH3+])C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353204072 456556945 /nfs/dbraw/zinc/55/69/45/456556945.db2.gz LZJKURVXMMGFPT-LEWJYISDSA-N 2 1 343.515 3.019 20 0 EGADMP CC(C)(C[NH2+]Cc1c(C2CC2)nc2sccn12)C[NH+]1CCCC1 ZINC000276707984 456557732 /nfs/dbraw/zinc/55/77/32/456557732.db2.gz PFEDPGSBTIRGJK-UHFFFAOYSA-N 2 1 332.517 3.485 20 0 EGADMP CC1(C)CC[C@H](C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)O1 ZINC000310274860 456580833 /nfs/dbraw/zinc/58/08/33/456580833.db2.gz OGXAUJOJHJMBQD-VAMGGRTRSA-N 2 1 328.500 3.398 20 0 EGADMP CC1(C)CC[C@H](C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)O1 ZINC000310274860 456580839 /nfs/dbraw/zinc/58/08/39/456580839.db2.gz OGXAUJOJHJMBQD-VAMGGRTRSA-N 2 1 328.500 3.398 20 0 EGADMP CC1(C)CC[C@H](C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)O1 ZINC000310274860 456580845 /nfs/dbraw/zinc/58/08/45/456580845.db2.gz OGXAUJOJHJMBQD-VAMGGRTRSA-N 2 1 328.500 3.398 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc1O ZINC000353269128 456600073 /nfs/dbraw/zinc/60/00/73/456600073.db2.gz SSWCKVIFKLTQPA-HNNXBMFYSA-N 2 1 341.455 3.424 20 0 EGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OCC ZINC000340674615 456615115 /nfs/dbraw/zinc/61/51/15/456615115.db2.gz XIUADFCZIJPLBS-HXUWFJFHSA-N 2 1 332.488 3.450 20 0 EGADMP CCCCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OCC ZINC000340674615 456615120 /nfs/dbraw/zinc/61/51/20/456615120.db2.gz XIUADFCZIJPLBS-HXUWFJFHSA-N 2 1 332.488 3.450 20 0 EGADMP CCCn1cc[nH+]c1CCCN(C)[C@H](C(=O)OC)c1ccc(F)cc1 ZINC000277059182 456667373 /nfs/dbraw/zinc/66/73/73/456667373.db2.gz CZGDWIAOJIYVBP-SFHVURJKSA-N 2 1 347.434 3.211 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000353450828 456698718 /nfs/dbraw/zinc/69/87/18/456698718.db2.gz RCHCBIFUVALXGO-UHFFFAOYSA-N 2 1 347.894 3.227 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000353450828 456698725 /nfs/dbraw/zinc/69/87/25/456698725.db2.gz RCHCBIFUVALXGO-UHFFFAOYSA-N 2 1 347.894 3.227 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000343559405 456705424 /nfs/dbraw/zinc/70/54/24/456705424.db2.gz DCCXOFZVRGGJBC-FXAWDEMLSA-N 2 1 330.472 3.373 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000353490402 456710289 /nfs/dbraw/zinc/71/02/89/456710289.db2.gz KZFYDCKXVGKSEQ-WSTZPKSXSA-N 2 1 332.536 3.002 20 0 EGADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000353490402 456710291 /nfs/dbraw/zinc/71/02/91/456710291.db2.gz KZFYDCKXVGKSEQ-WSTZPKSXSA-N 2 1 332.536 3.002 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3COc4ccccc4C3)CC2)cc1 ZINC000328125180 456711260 /nfs/dbraw/zinc/71/12/60/456711260.db2.gz MHKPPMUCBXQDIB-OAQYLSRUSA-N 2 1 336.479 3.287 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000338309383 456764623 /nfs/dbraw/zinc/76/46/23/456764623.db2.gz ULIAEZWTUFFQCZ-MRXNPFEDSA-N 2 1 327.472 3.413 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000338309383 456764627 /nfs/dbraw/zinc/76/46/27/456764627.db2.gz ULIAEZWTUFFQCZ-MRXNPFEDSA-N 2 1 327.472 3.413 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(=O)[nH]n1 ZINC000353621331 456808650 /nfs/dbraw/zinc/80/86/50/456808650.db2.gz LZCZSHLQGXLYEW-XYJFISCASA-N 2 1 340.471 3.134 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000292108770 456856654 /nfs/dbraw/zinc/85/66/54/456856654.db2.gz PEVFJXIDGONNMR-HOJAQTOUSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000292192578 456880891 /nfs/dbraw/zinc/88/08/91/456880891.db2.gz XPIIRKKCJLSOHQ-XLIONFOSSA-N 2 1 343.515 3.067 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@H]1C ZINC000353749746 456889039 /nfs/dbraw/zinc/88/90/39/456889039.db2.gz MGXVPRQRJWRPDD-QAPCUYQASA-N 2 1 342.487 3.390 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@H]1C ZINC000353749746 456889042 /nfs/dbraw/zinc/88/90/42/456889042.db2.gz MGXVPRQRJWRPDD-QAPCUYQASA-N 2 1 342.487 3.390 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@H]1C ZINC000353749746 456889043 /nfs/dbraw/zinc/88/90/43/456889043.db2.gz MGXVPRQRJWRPDD-QAPCUYQASA-N 2 1 342.487 3.390 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@H]1C ZINC000353749746 456889045 /nfs/dbraw/zinc/88/90/45/456889045.db2.gz MGXVPRQRJWRPDD-QAPCUYQASA-N 2 1 342.487 3.390 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000339068701 456925748 /nfs/dbraw/zinc/92/57/48/456925748.db2.gz PCZRTEFDUFUASO-PMXSJFBMSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339068701 456925753 /nfs/dbraw/zinc/92/57/53/456925753.db2.gz PCZRTEFDUFUASO-PMXSJFBMSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339068701 456925759 /nfs/dbraw/zinc/92/57/59/456925759.db2.gz PCZRTEFDUFUASO-PMXSJFBMSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339068701 456925763 /nfs/dbraw/zinc/92/57/63/456925763.db2.gz PCZRTEFDUFUASO-PMXSJFBMSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339068701 456925766 /nfs/dbraw/zinc/92/57/66/456925766.db2.gz PCZRTEFDUFUASO-PMXSJFBMSA-N 2 1 327.516 3.113 20 0 EGADMP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccsc1 ZINC000349384801 456960044 /nfs/dbraw/zinc/96/00/44/456960044.db2.gz XVVDJPJXVSDZLC-FFGOWVMKSA-N 2 1 342.508 3.282 20 0 EGADMP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccsc1 ZINC000349384801 456960047 /nfs/dbraw/zinc/96/00/47/456960047.db2.gz XVVDJPJXVSDZLC-FFGOWVMKSA-N 2 1 342.508 3.282 20 0 EGADMP CCCC[N@@H+](CCOC)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000341873335 456981246 /nfs/dbraw/zinc/98/12/46/456981246.db2.gz HFBCVJCTYNSEGB-FQEVSTJZSA-N 2 1 334.504 3.026 20 0 EGADMP CCCCN(CCOC)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341873335 456981251 /nfs/dbraw/zinc/98/12/51/456981251.db2.gz HFBCVJCTYNSEGB-FQEVSTJZSA-N 2 1 334.504 3.026 20 0 EGADMP CCCCN(CCOC)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341873335 456981256 /nfs/dbraw/zinc/98/12/56/456981256.db2.gz HFBCVJCTYNSEGB-FQEVSTJZSA-N 2 1 334.504 3.026 20 0 EGADMP CCC(C)(C)CC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358875459 457018407 /nfs/dbraw/zinc/01/84/07/457018407.db2.gz SVWBVFUTURWVLW-ROUUACIJSA-N 2 1 340.552 3.403 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC000362646660 457023824 /nfs/dbraw/zinc/02/38/24/457023824.db2.gz QAQVRQVYNZEMSA-AZUAARDMSA-N 2 1 345.531 3.164 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000354097926 457060790 /nfs/dbraw/zinc/06/07/90/457060790.db2.gz SZUXFHDGQJBMKZ-IBGZPJMESA-N 2 1 327.472 3.168 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000354105995 457066075 /nfs/dbraw/zinc/06/60/75/457066075.db2.gz GKLLTGZPBSFXHQ-AWEZNQCLSA-N 2 1 328.859 3.412 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000354105995 457066077 /nfs/dbraw/zinc/06/60/77/457066077.db2.gz GKLLTGZPBSFXHQ-AWEZNQCLSA-N 2 1 328.859 3.412 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000356594335 457073360 /nfs/dbraw/zinc/07/33/60/457073360.db2.gz IBRMIJMFZMKFPH-QGZVFWFLSA-N 2 1 331.504 3.133 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2CC(C)C)C12CCOCC2 ZINC000346614243 457078842 /nfs/dbraw/zinc/07/88/42/457078842.db2.gz NEFDWGDONHGKIP-GUDVDZBRSA-N 2 1 338.536 3.061 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2CC(C)C)C12CCOCC2 ZINC000346614243 457078849 /nfs/dbraw/zinc/07/88/49/457078849.db2.gz NEFDWGDONHGKIP-GUDVDZBRSA-N 2 1 338.536 3.061 20 0 EGADMP Cc1cc(C[NH+]2CCC(OCCC[NH3+])CC2)sc1Br ZINC000346686802 457111897 /nfs/dbraw/zinc/11/18/97/457111897.db2.gz ULMUWLDADZXOEN-UHFFFAOYSA-N 2 1 347.322 3.149 20 0 EGADMP COc1ccc2nc(CN3CC[C@]4(C3)CCC[N@@H+](C)C4)sc2c1 ZINC000339437505 457117745 /nfs/dbraw/zinc/11/77/45/457117745.db2.gz KVTLBCLWFQXIMC-GOSISDBHSA-N 2 1 331.485 3.223 20 0 EGADMP Cc1nn2c(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3C)c(C(C)C)nc2s1 ZINC000346703492 457120423 /nfs/dbraw/zinc/12/04/23/457120423.db2.gz XCLDJJQKUOYMPH-GFCCVEGCSA-N 2 1 346.504 3.153 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342124016 457122332 /nfs/dbraw/zinc/12/23/32/457122332.db2.gz CYKDECPMCDQMMU-AYDFFVQHSA-N 2 1 335.879 3.035 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342124016 457122334 /nfs/dbraw/zinc/12/23/34/457122334.db2.gz CYKDECPMCDQMMU-AYDFFVQHSA-N 2 1 335.879 3.035 20 0 EGADMP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000359970148 457178554 /nfs/dbraw/zinc/17/85/54/457178554.db2.gz KUSYZRMGLRWTLL-WMLDXEAASA-N 2 1 344.421 3.464 20 0 EGADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000363020859 457199884 /nfs/dbraw/zinc/19/98/84/457199884.db2.gz WNZAGVNAZBOSRT-WOJBJXKFSA-N 2 1 341.499 3.029 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000347042760 457200276 /nfs/dbraw/zinc/20/02/76/457200276.db2.gz MBUOKMSSJUTCHC-SJLPKXTDSA-N 2 1 325.456 3.220 20 0 EGADMP OCC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000356901833 457209276 /nfs/dbraw/zinc/20/92/76/457209276.db2.gz PYJITEAZPIEGKJ-SSXNTNPLSA-N 2 1 328.500 3.038 20 0 EGADMP Cn1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2ccccc2Cl)n1 ZINC000347065379 457212725 /nfs/dbraw/zinc/21/27/25/457212725.db2.gz KUCPOYZSMBQGPF-XYPWUTKMSA-N 2 1 344.890 3.455 20 0 EGADMP Cn1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2ccccc2Cl)n1 ZINC000347065379 457212732 /nfs/dbraw/zinc/21/27/32/457212732.db2.gz KUCPOYZSMBQGPF-XYPWUTKMSA-N 2 1 344.890 3.455 20 0 EGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccc(Br)cc1 ZINC000360047406 457224251 /nfs/dbraw/zinc/22/42/51/457224251.db2.gz VPXFKDLXFYFAHU-MRXNPFEDSA-N 2 1 343.309 3.458 20 0 EGADMP Brc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000357040818 457293455 /nfs/dbraw/zinc/29/34/55/457293455.db2.gz CMDWHFGTHAFLMG-CYBMUJFWSA-N 2 1 329.307 3.332 20 0 EGADMP CC1CCN(C(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000357011174 457274240 /nfs/dbraw/zinc/27/42/40/457274240.db2.gz JJOBNKUVSYXQEO-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347205575 457287900 /nfs/dbraw/zinc/28/79/00/457287900.db2.gz LUGHMOQFZVOYDR-BEFAXECRSA-N 2 1 326.488 3.107 20 0 EGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357039263 457293063 /nfs/dbraw/zinc/29/30/63/457293063.db2.gz NMTBYSHPSPJQLX-IBGZPJMESA-N 2 1 342.483 3.421 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357039263 457293065 /nfs/dbraw/zinc/29/30/65/457293065.db2.gz NMTBYSHPSPJQLX-IBGZPJMESA-N 2 1 342.483 3.421 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357039263 457293068 /nfs/dbraw/zinc/29/30/68/457293068.db2.gz NMTBYSHPSPJQLX-IBGZPJMESA-N 2 1 342.483 3.421 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357039263 457293070 /nfs/dbraw/zinc/29/30/70/457293070.db2.gz NMTBYSHPSPJQLX-IBGZPJMESA-N 2 1 342.483 3.421 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Br)cc4cccnc43)C[C@@H]12 ZINC000351495935 457300691 /nfs/dbraw/zinc/30/06/91/457300691.db2.gz QDYIPLXXPMLERU-DAXOMENPSA-N 2 1 346.272 3.166 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Br)cc4cccnc43)C[C@@H]12 ZINC000351495935 457300704 /nfs/dbraw/zinc/30/07/04/457300704.db2.gz QDYIPLXXPMLERU-DAXOMENPSA-N 2 1 346.272 3.166 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)C[C@H]12 ZINC000351489392 457301107 /nfs/dbraw/zinc/30/11/07/457301107.db2.gz HAFQDKMVHJOVJB-FFZOFVMBSA-N 2 1 347.547 3.150 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)C[C@H]12 ZINC000351489392 457301113 /nfs/dbraw/zinc/30/11/13/457301113.db2.gz HAFQDKMVHJOVJB-FFZOFVMBSA-N 2 1 347.547 3.150 20 0 EGADMP CC(C)[C@@H]1C[N@@H+](CC[C@@H](C)[NH+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000339835403 457301167 /nfs/dbraw/zinc/30/11/67/457301167.db2.gz XHKZPHGQFZEBGL-HSALFYBXSA-N 2 1 340.552 3.259 20 0 EGADMP CC(C)[C@@H]1C[NH+](CC[C@@H](C)[N@@H+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000339835403 457301173 /nfs/dbraw/zinc/30/11/73/457301173.db2.gz XHKZPHGQFZEBGL-HSALFYBXSA-N 2 1 340.552 3.259 20 0 EGADMP CC(C)[C@@H]1C[NH+](CC[C@@H](C)[N@H+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000339835403 457301185 /nfs/dbraw/zinc/30/11/85/457301185.db2.gz XHKZPHGQFZEBGL-HSALFYBXSA-N 2 1 340.552 3.259 20 0 EGADMP CC(C)[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+]1CCCCC1 ZINC000354658323 457302044 /nfs/dbraw/zinc/30/20/44/457302044.db2.gz QRFHXNRTXNENFN-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCn1c2ccc(F)cc2nc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357088005 457315166 /nfs/dbraw/zinc/31/51/66/457315166.db2.gz NRMOEEOVDNRZEW-OAHLLOKOSA-N 2 1 330.451 3.017 20 0 EGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000357109124 457327506 /nfs/dbraw/zinc/32/75/06/457327506.db2.gz HGAUCJIBJSXYPO-KSZLIROESA-N 2 1 345.531 3.406 20 0 EGADMP Cn1cnc2cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)ccc21 ZINC000355341663 457359848 /nfs/dbraw/zinc/35/98/48/457359848.db2.gz XTHXZJYLNAJWPI-WOJBJXKFSA-N 2 1 346.478 3.137 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000355411509 457371176 /nfs/dbraw/zinc/37/11/76/457371176.db2.gz MZBUGYFUZJOCSU-ZIFCJYIRSA-N 2 1 331.504 3.059 20 0 EGADMP CC[N@@H+](C)C[C@H]1CCN([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817166 457413719 /nfs/dbraw/zinc/41/37/19/457413719.db2.gz YNDUQYWQIALTBG-JKSUJKDBSA-N 2 1 328.460 3.380 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352540066 457451212 /nfs/dbraw/zinc/45/12/12/457451212.db2.gz GTDVVOYAFABTJT-NRFANRHFSA-N 2 1 329.532 3.220 20 0 EGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(C3CCCC3)cc2)C1 ZINC000360965237 457472602 /nfs/dbraw/zinc/47/26/02/457472602.db2.gz DMZULKWAGATMGE-FQEVSTJZSA-N 2 1 343.515 3.021 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCCCCNC(=O)OCc2ccccc2)CC[N@H+]1C ZINC000397918073 457492018 /nfs/dbraw/zinc/49/20/18/457492018.db2.gz JJNSHYOGJWQSGY-MJGOQNOKSA-N 2 1 347.503 3.155 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000342753061 457499524 /nfs/dbraw/zinc/49/95/24/457499524.db2.gz OXZHPXZJDUUMOY-YLJYHZDGSA-N 2 1 345.531 3.313 20 0 EGADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000342756209 457502839 /nfs/dbraw/zinc/50/28/39/457502839.db2.gz SSPVPOQQMHZRPQ-IFXJQAMLSA-N 2 1 336.907 3.352 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)s1 ZINC000352704055 457544834 /nfs/dbraw/zinc/54/48/34/457544834.db2.gz HPBOBMCNGDPWLM-CRAIPNDOSA-N 2 1 331.485 3.072 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCO[C@H]2c2ccccc2)s1 ZINC000352704057 457545610 /nfs/dbraw/zinc/54/56/10/457545610.db2.gz HPBOBMCNGDPWLM-QAPCUYQASA-N 2 1 331.485 3.072 20 0 EGADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000374255483 457547031 /nfs/dbraw/zinc/54/70/31/457547031.db2.gz RDCUUFADIQBZMU-PZJWPPBQSA-N 2 1 329.532 3.070 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CC(=O)OC(C)C)c1ccc(C)cc1 ZINC000361098877 457580255 /nfs/dbraw/zinc/58/02/55/457580255.db2.gz XTTWHHWZEFKQCY-SFHVURJKSA-N 2 1 329.444 3.173 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC1CCCC1 ZINC000361106635 457584680 /nfs/dbraw/zinc/58/46/80/457584680.db2.gz FVUCTQDELJYVGJ-MAUKXSAKSA-N 2 1 332.488 3.446 20 0 EGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1CCCCC1 ZINC000370216150 457587678 /nfs/dbraw/zinc/58/76/78/457587678.db2.gz OMYKLHWGFZKLCH-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+](CCc1ccc(C(F)(F)F)cc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000425544238 457592653 /nfs/dbraw/zinc/59/26/53/457592653.db2.gz DJBBRQPEEZQVLA-QGZVFWFLSA-N 2 1 344.421 3.025 20 0 EGADMP CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000425544238 457592658 /nfs/dbraw/zinc/59/26/58/457592658.db2.gz DJBBRQPEEZQVLA-QGZVFWFLSA-N 2 1 344.421 3.025 20 0 EGADMP CC[NH+](CCc1ccc(C(F)(F)F)cc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000425544238 457592663 /nfs/dbraw/zinc/59/26/63/457592663.db2.gz DJBBRQPEEZQVLA-QGZVFWFLSA-N 2 1 344.421 3.025 20 0 EGADMP CC[NH+](CCc1ccc(C(F)(F)F)cc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000425544238 457592667 /nfs/dbraw/zinc/59/26/67/457592667.db2.gz DJBBRQPEEZQVLA-QGZVFWFLSA-N 2 1 344.421 3.025 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000356423261 457618361 /nfs/dbraw/zinc/61/83/61/457618361.db2.gz KTOJTRAYEWXPHR-PXNSSMCTSA-N 2 1 343.515 3.085 20 0 EGADMP CCSc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361182755 457634640 /nfs/dbraw/zinc/63/46/40/457634640.db2.gz IDXIGJFKEQPUOB-HZPDHXFCSA-N 2 1 349.544 3.037 20 0 EGADMP CCSc1ccccc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361182755 457634642 /nfs/dbraw/zinc/63/46/42/457634642.db2.gz IDXIGJFKEQPUOB-HZPDHXFCSA-N 2 1 349.544 3.037 20 0 EGADMP C[N@H+](CCCc1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425914655 457651604 /nfs/dbraw/zinc/65/16/04/457651604.db2.gz CALUKBVQSQQVHD-QFIPXVFZSA-N 2 1 338.495 3.188 20 0 EGADMP C[N@@H+](CCCc1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425914655 457651609 /nfs/dbraw/zinc/65/16/09/457651609.db2.gz CALUKBVQSQQVHD-QFIPXVFZSA-N 2 1 338.495 3.188 20 0 EGADMP C[NH+](CCCc1ccccc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425914655 457651613 /nfs/dbraw/zinc/65/16/13/457651613.db2.gz CALUKBVQSQQVHD-QFIPXVFZSA-N 2 1 338.495 3.188 20 0 EGADMP C[NH+](CCCc1ccccc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425914655 457651618 /nfs/dbraw/zinc/65/16/18/457651618.db2.gz CALUKBVQSQQVHD-QFIPXVFZSA-N 2 1 338.495 3.188 20 0 EGADMP C[C@H](C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000425945725 457656866 /nfs/dbraw/zinc/65/68/66/457656866.db2.gz SETXCPWDOQBMMR-KNQAVFIVSA-N 2 1 338.495 3.359 20 0 EGADMP C[C@H](C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000425945725 457656872 /nfs/dbraw/zinc/65/68/72/457656872.db2.gz SETXCPWDOQBMMR-KNQAVFIVSA-N 2 1 338.495 3.359 20 0 EGADMP C[C@H](C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000425945725 457656876 /nfs/dbraw/zinc/65/68/76/457656876.db2.gz SETXCPWDOQBMMR-KNQAVFIVSA-N 2 1 338.495 3.359 20 0 EGADMP C[C@H](C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000425945725 457656881 /nfs/dbraw/zinc/65/68/81/457656881.db2.gz SETXCPWDOQBMMR-KNQAVFIVSA-N 2 1 338.495 3.359 20 0 EGADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370712379 457704614 /nfs/dbraw/zinc/70/46/14/457704614.db2.gz UYMSEHXIRDKXNZ-OXJNMPFZSA-N 2 1 341.499 3.199 20 0 EGADMP CCCc1ccc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000361358074 457705463 /nfs/dbraw/zinc/70/54/63/457705463.db2.gz VFEATRQOGLZEBD-KRWDZBQOSA-N 2 1 345.531 3.232 20 0 EGADMP CC[C@@]1(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC[NH2+]C1 ZINC000370842141 457727766 /nfs/dbraw/zinc/72/77/66/457727766.db2.gz DTWPAUDJQJFBAX-LAUBAEHRSA-N 2 1 343.515 3.067 20 0 EGADMP CN(C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912515 457732292 /nfs/dbraw/zinc/73/22/92/457732292.db2.gz XSZACTNBURYAHA-MAUKXSAKSA-N 2 1 349.906 3.109 20 0 EGADMP CCC[C@H](C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000374990936 457746942 /nfs/dbraw/zinc/74/69/42/457746942.db2.gz OVMLMKUCAHOTSY-NHCUHLMSSA-N 2 1 329.532 3.282 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CC=C(C)CC2)cc1 ZINC000358058844 457759521 /nfs/dbraw/zinc/75/95/21/457759521.db2.gz RDGMRZHLGKNNSX-UHFFFAOYSA-N 2 1 343.515 3.300 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CC=C(C)CC2)cc1 ZINC000358058844 457759524 /nfs/dbraw/zinc/75/95/24/457759524.db2.gz RDGMRZHLGKNNSX-UHFFFAOYSA-N 2 1 343.515 3.300 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CC=C(C)CC2)cc1 ZINC000358058844 457759529 /nfs/dbraw/zinc/75/95/29/457759529.db2.gz RDGMRZHLGKNNSX-UHFFFAOYSA-N 2 1 343.515 3.300 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000358096307 457783097 /nfs/dbraw/zinc/78/30/97/457783097.db2.gz LUSDCAJRMPXRPY-KBPBESRZSA-N 2 1 344.459 3.145 20 0 EGADMP CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411193818 457826783 /nfs/dbraw/zinc/82/67/83/457826783.db2.gz FQHYBLAGUJUFNZ-NRFANRHFSA-N 2 1 343.515 3.021 20 0 EGADMP CC(C)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cccc(F)c1 ZINC000358198675 457853544 /nfs/dbraw/zinc/85/35/44/457853544.db2.gz PWMDIXAABOPOAI-UHFFFAOYSA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cccc(F)c1 ZINC000358198675 457853551 /nfs/dbraw/zinc/85/35/51/457853551.db2.gz PWMDIXAABOPOAI-UHFFFAOYSA-N 2 1 349.494 3.025 20 0 EGADMP COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411314933 457855662 /nfs/dbraw/zinc/85/56/62/457855662.db2.gz GFFNIWYCSNMQGQ-HXUWFJFHSA-N 2 1 330.472 3.058 20 0 EGADMP COC(=O)[C@@]1(C)CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411325601 457857826 /nfs/dbraw/zinc/85/78/26/457857826.db2.gz ZURFBSAOCLKYOM-FQEVSTJZSA-N 2 1 330.472 3.058 20 0 EGADMP CC(C)[N@@H+](C)CCCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411381331 457869374 /nfs/dbraw/zinc/86/93/74/457869374.db2.gz BZICGEPPRRUZFJ-UHFFFAOYSA-N 2 1 331.504 3.133 20 0 EGADMP COCCO[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411406157 457877750 /nfs/dbraw/zinc/87/77/50/457877750.db2.gz DYWVWAYLASFUPO-NRFANRHFSA-N 2 1 346.515 3.300 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000358248814 457886107 /nfs/dbraw/zinc/88/61/07/457886107.db2.gz IBIRECPCGKXGBI-UZLBHIALSA-N 2 1 337.467 3.369 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000358248814 457886112 /nfs/dbraw/zinc/88/61/12/457886112.db2.gz IBIRECPCGKXGBI-UZLBHIALSA-N 2 1 337.467 3.369 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCc3n[nH]cc3C2)CC1 ZINC000366705031 457890127 /nfs/dbraw/zinc/89/01/27/457890127.db2.gz AEYHBQVAGSRCNC-GPJFCIFZSA-N 2 1 338.499 3.300 20 0 EGADMP CCC[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358254258 457891400 /nfs/dbraw/zinc/89/14/00/457891400.db2.gz PIHZDCIRFCPJJT-HZPDHXFCSA-N 2 1 331.287 3.491 20 0 EGADMP CCC[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358254258 457891407 /nfs/dbraw/zinc/89/14/07/457891407.db2.gz PIHZDCIRFCPJJT-HZPDHXFCSA-N 2 1 331.287 3.491 20 0 EGADMP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358254258 457891411 /nfs/dbraw/zinc/89/14/11/457891411.db2.gz PIHZDCIRFCPJJT-HZPDHXFCSA-N 2 1 331.287 3.491 20 0 EGADMP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358254258 457891417 /nfs/dbraw/zinc/89/14/17/457891417.db2.gz PIHZDCIRFCPJJT-HZPDHXFCSA-N 2 1 331.287 3.491 20 0 EGADMP CCCCCNC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000411525529 457910289 /nfs/dbraw/zinc/91/02/89/457910289.db2.gz CEKSEWRQYZWPDQ-WGMWDUQUSA-N 2 1 345.531 3.039 20 0 EGADMP CCCCCNC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000411525529 457910298 /nfs/dbraw/zinc/91/02/98/457910298.db2.gz CEKSEWRQYZWPDQ-WGMWDUQUSA-N 2 1 345.531 3.039 20 0 EGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361888449 457931658 /nfs/dbraw/zinc/93/16/58/457931658.db2.gz JJXDHBYHBNEIQT-VOQZNFBZSA-N 2 1 336.479 3.147 20 0 EGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361888449 457931664 /nfs/dbraw/zinc/93/16/64/457931664.db2.gz JJXDHBYHBNEIQT-VOQZNFBZSA-N 2 1 336.479 3.147 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1C ZINC000411626365 457931650 /nfs/dbraw/zinc/93/16/50/457931650.db2.gz ZQVHMIQQJXPYIS-FXAWDEMLSA-N 2 1 344.499 3.304 20 0 EGADMP CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000358321833 457931842 /nfs/dbraw/zinc/93/18/42/457931842.db2.gz RZOVAUWUKHCJSP-SNRMKQJTSA-N 2 1 332.488 3.114 20 0 EGADMP OCC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCSC1 ZINC000411662165 457943851 /nfs/dbraw/zinc/94/38/51/457943851.db2.gz FJCLDZFWHCFDSD-FQEVSTJZSA-N 2 1 348.556 3.362 20 0 EGADMP c1ncc(CC[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)s1 ZINC000411714997 457959394 /nfs/dbraw/zinc/95/93/94/457959394.db2.gz AQHVWNKWOVUQAW-LJQANCHMSA-N 2 1 327.497 3.284 20 0 EGADMP c1ncc(CC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)s1 ZINC000411714997 457959401 /nfs/dbraw/zinc/95/94/01/457959401.db2.gz AQHVWNKWOVUQAW-LJQANCHMSA-N 2 1 327.497 3.284 20 0 EGADMP c1ncc(CC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)s1 ZINC000411714997 457959406 /nfs/dbraw/zinc/95/94/06/457959406.db2.gz AQHVWNKWOVUQAW-LJQANCHMSA-N 2 1 327.497 3.284 20 0 EGADMP c1ncc(CC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)s1 ZINC000411714997 457959416 /nfs/dbraw/zinc/95/94/16/457959416.db2.gz AQHVWNKWOVUQAW-LJQANCHMSA-N 2 1 327.497 3.284 20 0 EGADMP Cc1cc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)ccc1C[NH+](C)C ZINC000458297484 458005571 /nfs/dbraw/zinc/00/55/71/458005571.db2.gz YXZDFDYKDORHPQ-LJQANCHMSA-N 2 1 329.488 3.402 20 0 EGADMP COC(=O)c1coc([C@@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000375663250 458010053 /nfs/dbraw/zinc/01/00/53/458010053.db2.gz JFAQIVIRZGRFLD-NVXWUHKLSA-N 2 1 342.439 3.239 20 0 EGADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000358514866 458051671 /nfs/dbraw/zinc/05/16/71/458051671.db2.gz YBIAXVMMXMMCAL-HNNXBMFYSA-N 2 1 326.444 3.182 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000435370307 458122331 /nfs/dbraw/zinc/12/23/31/458122331.db2.gz ICFQFXKJZXLZML-SJLPKXTDSA-N 2 1 340.515 3.398 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000435370303 458122444 /nfs/dbraw/zinc/12/24/44/458122444.db2.gz ICFQFXKJZXLZML-AEFFLSMTSA-N 2 1 340.515 3.398 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000435386667 458132894 /nfs/dbraw/zinc/13/28/94/458132894.db2.gz UTLPFAZBBDXQJM-INIZCTEOSA-N 2 1 346.906 3.243 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000435386667 458132898 /nfs/dbraw/zinc/13/28/98/458132898.db2.gz UTLPFAZBBDXQJM-INIZCTEOSA-N 2 1 346.906 3.243 20 0 EGADMP COCc1cccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435388954 458133562 /nfs/dbraw/zinc/13/35/62/458133562.db2.gz IJYCSOGZCDCADJ-OAQYLSRUSA-N 2 1 339.483 3.372 20 0 EGADMP COCc1cccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435388954 458133571 /nfs/dbraw/zinc/13/35/71/458133571.db2.gz IJYCSOGZCDCADJ-OAQYLSRUSA-N 2 1 339.483 3.372 20 0 EGADMP CCOc1cc(C[N@H+](C)C2CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000435389459 458134537 /nfs/dbraw/zinc/13/45/37/458134537.db2.gz MKRNBEGKVMUMHS-UHFFFAOYSA-N 2 1 346.393 3.210 20 0 EGADMP CCOc1cc(C[N@@H+](C)C2CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000435389459 458134539 /nfs/dbraw/zinc/13/45/39/458134539.db2.gz MKRNBEGKVMUMHS-UHFFFAOYSA-N 2 1 346.393 3.210 20 0 EGADMP CC[N@H+](Cc1cccc(Br)c1OC)[C@H]1CCC[NH2+]CC1 ZINC000435391420 458134761 /nfs/dbraw/zinc/13/47/61/458134761.db2.gz SJFZZCPNUMLNIG-AWEZNQCLSA-N 2 1 341.293 3.422 20 0 EGADMP CC[N@@H+](Cc1cccc(Br)c1OC)[C@H]1CCC[NH2+]CC1 ZINC000435391420 458134768 /nfs/dbraw/zinc/13/47/68/458134768.db2.gz SJFZZCPNUMLNIG-AWEZNQCLSA-N 2 1 341.293 3.422 20 0 EGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435398247 458137395 /nfs/dbraw/zinc/13/73/95/458137395.db2.gz NOZGUYSTOOBKMI-KRWDZBQOSA-N 2 1 347.466 3.105 20 0 EGADMP C[N@H+](Cc1cccc2cc[nH]c21)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428441201 458144441 /nfs/dbraw/zinc/14/44/41/458144441.db2.gz PFKWCIWUCOUNRA-QFIPXVFZSA-N 2 1 349.478 3.237 20 0 EGADMP C[N@@H+](Cc1cccc2cc[nH]c21)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428441201 458144445 /nfs/dbraw/zinc/14/44/45/458144445.db2.gz PFKWCIWUCOUNRA-QFIPXVFZSA-N 2 1 349.478 3.237 20 0 EGADMP C[NH+](Cc1cccc2cc[nH]c21)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428441201 458144446 /nfs/dbraw/zinc/14/44/46/458144446.db2.gz PFKWCIWUCOUNRA-QFIPXVFZSA-N 2 1 349.478 3.237 20 0 EGADMP C[NH+](Cc1cccc2cc[nH]c21)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428441201 458144452 /nfs/dbraw/zinc/14/44/52/458144452.db2.gz PFKWCIWUCOUNRA-QFIPXVFZSA-N 2 1 349.478 3.237 20 0 EGADMP C[N@@H+](Cc1ccc(OCc2cccnc2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435438616 458147573 /nfs/dbraw/zinc/14/75/73/458147573.db2.gz QREYGJNYQNDYLY-IBGZPJMESA-N 2 1 325.456 3.235 20 0 EGADMP C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435439987 458148066 /nfs/dbraw/zinc/14/80/66/458148066.db2.gz YIPFNPHYSGUVFW-IBGZPJMESA-N 2 1 325.456 3.235 20 0 EGADMP CC[N@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435623405 458174602 /nfs/dbraw/zinc/17/46/02/458174602.db2.gz CMPPGVBNSBMCAG-AZUAARDMSA-N 2 1 349.494 3.103 20 0 EGADMP CC[N@@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435623405 458174609 /nfs/dbraw/zinc/17/46/09/458174609.db2.gz CMPPGVBNSBMCAG-AZUAARDMSA-N 2 1 349.494 3.103 20 0 EGADMP CC[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435628073 458176727 /nfs/dbraw/zinc/17/67/27/458176727.db2.gz TYYDUDOFERDZIS-HXUWFJFHSA-N 2 1 343.515 3.277 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc2ccccc2s1 ZINC000446816277 458231166 /nfs/dbraw/zinc/23/11/66/458231166.db2.gz BCJJCOGKYKTLLR-ZBFHGGJFSA-N 2 1 345.512 3.139 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000376204040 458232605 /nfs/dbraw/zinc/23/26/05/458232605.db2.gz VQMBNMSQQAJINN-WIYYLYMNSA-N 2 1 343.559 3.442 20 0 EGADMP CCc1nc(C)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000428982652 458245430 /nfs/dbraw/zinc/24/54/30/458245430.db2.gz UCQZWHVWQJPBJV-OALUTQOASA-N 2 1 339.483 3.499 20 0 EGADMP CCc1nc(C)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000428982652 458245438 /nfs/dbraw/zinc/24/54/38/458245438.db2.gz UCQZWHVWQJPBJV-OALUTQOASA-N 2 1 339.483 3.499 20 0 EGADMP CCc1nc(C)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000428982652 458245444 /nfs/dbraw/zinc/24/54/44/458245444.db2.gz UCQZWHVWQJPBJV-OALUTQOASA-N 2 1 339.483 3.499 20 0 EGADMP CCc1nc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000428982652 458245447 /nfs/dbraw/zinc/24/54/47/458245447.db2.gz UCQZWHVWQJPBJV-OALUTQOASA-N 2 1 339.483 3.499 20 0 EGADMP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1)Cc1ccccc1 ZINC000436233778 458274260 /nfs/dbraw/zinc/27/42/60/458274260.db2.gz UMBLVIGGVFGBSC-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1)Cc1ccccc1 ZINC000436233778 458274264 /nfs/dbraw/zinc/27/42/64/458274264.db2.gz UMBLVIGGVFGBSC-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)Cc1ccccc1 ZINC000436233778 458274270 /nfs/dbraw/zinc/27/42/70/458274270.db2.gz UMBLVIGGVFGBSC-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)Cc1ccccc1 ZINC000436233778 458274273 /nfs/dbraw/zinc/27/42/73/458274273.db2.gz UMBLVIGGVFGBSC-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP CC1(C)C[NH+](CCCCC[N@H+]2CCCOC(C)(C)C2)CCCO1 ZINC000369583386 458276452 /nfs/dbraw/zinc/27/64/52/458276452.db2.gz ICYAUEFBCWUGQU-UHFFFAOYSA-N 2 1 326.525 3.159 20 0 EGADMP CC(C)[C@H]1C[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2ccccc21 ZINC000447561280 458311511 /nfs/dbraw/zinc/31/15/11/458311511.db2.gz HHUSSULXCXMOKE-NHCUHLMSSA-N 2 1 329.532 3.488 20 0 EGADMP C[C@H](NCC[N@@H+]1CCCC(C)(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000447557339 458311615 /nfs/dbraw/zinc/31/16/15/458311615.db2.gz JMCOCGPJMHDIKF-SFHVURJKSA-N 2 1 347.547 3.400 20 0 EGADMP C[C@H](NCC[N@H+]1CCCC(C)(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000447557339 458311620 /nfs/dbraw/zinc/31/16/20/458311620.db2.gz JMCOCGPJMHDIKF-SFHVURJKSA-N 2 1 347.547 3.400 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC000447565499 458312677 /nfs/dbraw/zinc/31/26/77/458312677.db2.gz LQWPINXJCZZPIK-ICSRJNTNSA-N 2 1 344.547 3.004 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC000447565499 458312679 /nfs/dbraw/zinc/31/26/79/458312679.db2.gz LQWPINXJCZZPIK-ICSRJNTNSA-N 2 1 344.547 3.004 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000447565499 458312683 /nfs/dbraw/zinc/31/26/83/458312683.db2.gz LQWPINXJCZZPIK-ICSRJNTNSA-N 2 1 344.547 3.004 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC000447565499 458312685 /nfs/dbraw/zinc/31/26/85/458312685.db2.gz LQWPINXJCZZPIK-ICSRJNTNSA-N 2 1 344.547 3.004 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(n2)CCCC3)[C@@H](C)C1 ZINC000447581442 458316893 /nfs/dbraw/zinc/31/68/93/458316893.db2.gz SYOLKJPUFLSTEV-FXAWDEMLSA-N 2 1 345.531 3.187 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(n2)CCCC3)[C@@H](C)C1 ZINC000447581442 458316896 /nfs/dbraw/zinc/31/68/96/458316896.db2.gz SYOLKJPUFLSTEV-FXAWDEMLSA-N 2 1 345.531 3.187 20 0 EGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@@H]3C3CC3)C2)cc1 ZINC000429414110 458330615 /nfs/dbraw/zinc/33/06/15/458330615.db2.gz XKTXDXOSLODKKG-NJDAHSKKSA-N 2 1 328.500 3.446 20 0 EGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@@H]3C3CC3)C2)cc1 ZINC000429414110 458330616 /nfs/dbraw/zinc/33/06/16/458330616.db2.gz XKTXDXOSLODKKG-NJDAHSKKSA-N 2 1 328.500 3.446 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000373027702 458379852 /nfs/dbraw/zinc/37/98/52/458379852.db2.gz WBJIRWTWFXENKV-BZUAXINKSA-N 2 1 346.471 3.359 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000373027702 458379855 /nfs/dbraw/zinc/37/98/55/458379855.db2.gz WBJIRWTWFXENKV-BZUAXINKSA-N 2 1 346.471 3.359 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@H]1CCOC1 ZINC000376835611 458402181 /nfs/dbraw/zinc/40/21/81/458402181.db2.gz DZEYOBQCTSTVFN-JOZSIVFUSA-N 2 1 328.500 3.302 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]([NH3+])C2CCC2)c1 ZINC000423440443 458433773 /nfs/dbraw/zinc/43/37/73/458433773.db2.gz XGWVAGFUMZWWJB-IBGZPJMESA-N 2 1 331.504 3.052 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000423486709 458440995 /nfs/dbraw/zinc/44/09/95/458440995.db2.gz BXSFFBMCVASJPC-HOTGVXAUSA-N 2 1 330.394 3.371 20 0 EGADMP FC(F)(F)c1cccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CC2)c1 ZINC000423489439 458442734 /nfs/dbraw/zinc/44/27/34/458442734.db2.gz FZKOHAXYRHWBSO-JKSUJKDBSA-N 2 1 328.378 3.125 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1)C1CC1 ZINC000430391281 458445286 /nfs/dbraw/zinc/44/52/86/458445286.db2.gz GGUKNHKSLCPSNG-IBGZPJMESA-N 2 1 343.515 3.227 20 0 EGADMP CCOC[C@@H]1CCCC[NH+]1CC(C)C[N@@H+]1CCCC[C@H]1COCC ZINC000459698438 458450268 /nfs/dbraw/zinc/45/02/68/458450268.db2.gz CBURQVVLMKEKQY-PMACEKPBSA-N 2 1 340.552 3.405 20 0 EGADMP COc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1OC(F)F ZINC000423532770 458453377 /nfs/dbraw/zinc/45/33/77/458453377.db2.gz RVVMSCYLVRLETI-RISCZKNCSA-N 2 1 328.403 3.465 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000430547644 458459431 /nfs/dbraw/zinc/45/94/31/458459431.db2.gz AAQOBYYNUBIWNS-OAHLLOKOSA-N 2 1 336.867 3.238 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000430557770 458460872 /nfs/dbraw/zinc/46/08/72/458460872.db2.gz XBQKGFLVZZEGKO-OLZOCXBDSA-N 2 1 332.366 3.023 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000459744991 458466360 /nfs/dbraw/zinc/46/63/60/458466360.db2.gz YIQDVOWUSQYGFJ-SFHVURJKSA-N 2 1 339.483 3.482 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000430592760 458467941 /nfs/dbraw/zinc/46/79/41/458467941.db2.gz CVQZFPXNRQDWPN-NEPXVJNWSA-N 2 1 331.504 3.092 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000430592760 458467945 /nfs/dbraw/zinc/46/79/45/458467945.db2.gz CVQZFPXNRQDWPN-NEPXVJNWSA-N 2 1 331.504 3.092 20 0 EGADMP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000423737393 458478168 /nfs/dbraw/zinc/47/81/68/458478168.db2.gz AOJZCEHUTNYSIQ-LPHOPBHVSA-N 2 1 331.504 3.045 20 0 EGADMP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000459793823 458480542 /nfs/dbraw/zinc/48/05/42/458480542.db2.gz TZDSYUYMAXNYNC-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP CCC[C@](C)([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423909739 458510889 /nfs/dbraw/zinc/51/08/89/458510889.db2.gz UJPVBLYBXJLBLU-ZJOUEHCJSA-N 2 1 343.515 3.017 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423953842 458520760 /nfs/dbraw/zinc/52/07/60/458520760.db2.gz JTPZVYBHVNSRNU-IBGZPJMESA-N 2 1 331.504 3.166 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1)C(C)C ZINC000423954381 458521298 /nfs/dbraw/zinc/52/12/98/458521298.db2.gz JZWGKAXBTLSXAV-IBGZPJMESA-N 2 1 331.504 3.164 20 0 EGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CC[C@H]4CCOC4)C3)C2)cc1 ZINC000438092629 458530224 /nfs/dbraw/zinc/53/02/24/458530224.db2.gz AADDZCQVTVVNRO-LEWJYISDSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CC[C@H]4CCOC4)C3)C2)cc1 ZINC000438092629 458530229 /nfs/dbraw/zinc/53/02/29/458530229.db2.gz AADDZCQVTVVNRO-LEWJYISDSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CC[C@H]4CCOC4)C3)C2)cc1 ZINC000438092629 458530232 /nfs/dbraw/zinc/53/02/32/458530232.db2.gz AADDZCQVTVVNRO-LEWJYISDSA-N 2 1 328.500 3.401 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ccc(F)cc3F)C2)CC1 ZINC000377830976 458544682 /nfs/dbraw/zinc/54/46/82/458544682.db2.gz ITFBJDIOSAOQLH-RDJZCZTQSA-N 2 1 337.458 3.126 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc(F)cc3F)C2)CC1 ZINC000377830976 458544687 /nfs/dbraw/zinc/54/46/87/458544687.db2.gz ITFBJDIOSAOQLH-RDJZCZTQSA-N 2 1 337.458 3.126 20 0 EGADMP COCC[N@H+](C)CCC[NH2+][C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000431326598 458558457 /nfs/dbraw/zinc/55/84/57/458558457.db2.gz CYOMSLINUZXERT-KRWDZBQOSA-N 2 1 340.895 3.420 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000431326598 458558459 /nfs/dbraw/zinc/55/84/59/458558459.db2.gz CYOMSLINUZXERT-KRWDZBQOSA-N 2 1 340.895 3.420 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000424246896 458592346 /nfs/dbraw/zinc/59/23/46/458592346.db2.gz SZMAWWJXRCDUEB-LJQANCHMSA-N 2 1 341.430 3.196 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000424246896 458592351 /nfs/dbraw/zinc/59/23/51/458592351.db2.gz SZMAWWJXRCDUEB-LJQANCHMSA-N 2 1 341.430 3.196 20 0 EGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000462116580 458595335 /nfs/dbraw/zinc/59/53/35/458595335.db2.gz OSTQNDFBXHMQRU-FGZHOGPDSA-N 2 1 338.495 3.234 20 0 EGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000462116580 458595340 /nfs/dbraw/zinc/59/53/40/458595340.db2.gz OSTQNDFBXHMQRU-FGZHOGPDSA-N 2 1 338.495 3.234 20 0 EGADMP OC1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCCC1 ZINC000438598759 458605603 /nfs/dbraw/zinc/60/56/03/458605603.db2.gz AXANKCFUYVXBMA-VQTJNVASSA-N 2 1 328.500 3.278 20 0 EGADMP OC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC1 ZINC000438598759 458605611 /nfs/dbraw/zinc/60/56/11/458605611.db2.gz AXANKCFUYVXBMA-VQTJNVASSA-N 2 1 328.500 3.278 20 0 EGADMP OC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCCC1 ZINC000438598759 458605615 /nfs/dbraw/zinc/60/56/15/458605615.db2.gz AXANKCFUYVXBMA-VQTJNVASSA-N 2 1 328.500 3.278 20 0 EGADMP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424295869 458608251 /nfs/dbraw/zinc/60/82/51/458608251.db2.gz RMYKPKMFIHRRTA-AWEZNQCLSA-N 2 1 325.456 3.123 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1CCCc1nc(-c3ccccc3)no1)CC[NH2+]CC2 ZINC000424301565 458609346 /nfs/dbraw/zinc/60/93/46/458609346.db2.gz XRIIZUHEDYWODC-MRXNPFEDSA-N 2 1 340.471 3.133 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1c[nH]nc1-c1c(F)cccc1F)CC[NH2+]CC2 ZINC000424368555 458626061 /nfs/dbraw/zinc/62/60/61/458626061.db2.gz ALFURHDYZAAWKV-ZDUSSCGKSA-N 2 1 346.425 3.319 20 0 EGADMP COc1cccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1OC(F)F ZINC000424373491 458628328 /nfs/dbraw/zinc/62/83/28/458628328.db2.gz HDIDJPKEZOCFDR-CYBMUJFWSA-N 2 1 340.414 3.261 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000439009413 458643134 /nfs/dbraw/zinc/64/31/34/458643134.db2.gz WXLLSGJWVXGLEI-AWEZNQCLSA-N 2 1 344.459 3.290 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470790163 458652539 /nfs/dbraw/zinc/65/25/39/458652539.db2.gz QEUAUOOOACHWDT-UGKGYDQZSA-N 2 1 340.511 3.407 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470790163 458652544 /nfs/dbraw/zinc/65/25/44/458652544.db2.gz QEUAUOOOACHWDT-UGKGYDQZSA-N 2 1 340.511 3.407 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470790163 458652549 /nfs/dbraw/zinc/65/25/49/458652549.db2.gz QEUAUOOOACHWDT-UGKGYDQZSA-N 2 1 340.511 3.407 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)[C@H]2CCC[C@H]21 ZINC000462810503 458657101 /nfs/dbraw/zinc/65/71/01/458657101.db2.gz CVWPBIOHVFFTAM-OGWHTMIXSA-N 2 1 331.479 3.114 20 0 EGADMP CO[C@](C)(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000462816060 458657204 /nfs/dbraw/zinc/65/72/04/458657204.db2.gz FPKHRBAIICRYGI-MJUUVYJYSA-N 2 1 328.500 3.302 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCSc3ccc(C)c(C)c3)C2)CC1 ZINC000471162569 458680280 /nfs/dbraw/zinc/68/02/80/458680280.db2.gz QMSKMBRBFULZFU-LJQANCHMSA-N 2 1 347.572 3.107 20 0 EGADMP CC[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000502999717 458687397 /nfs/dbraw/zinc/68/73/97/458687397.db2.gz XAHOSAIZHWIVHO-IFMALSPDSA-N 2 1 338.495 3.407 20 0 EGADMP CC[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000502999717 458687401 /nfs/dbraw/zinc/68/74/01/458687401.db2.gz XAHOSAIZHWIVHO-IFMALSPDSA-N 2 1 338.495 3.407 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503378028 458704109 /nfs/dbraw/zinc/70/41/09/458704109.db2.gz MWZTZNBQIBLUEV-IBGZPJMESA-N 2 1 327.516 3.388 20 0 EGADMP Brc1ccc2[nH+]ccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000503536969 458713296 /nfs/dbraw/zinc/71/32/96/458713296.db2.gz LOGAEWCJGHYFOX-ZIAGYGMSSA-N 2 1 346.272 3.458 20 0 EGADMP Brc1ccc2[nH+]ccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000503536969 458713300 /nfs/dbraw/zinc/71/33/00/458713300.db2.gz LOGAEWCJGHYFOX-ZIAGYGMSSA-N 2 1 346.272 3.458 20 0 EGADMP CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000439484153 458716631 /nfs/dbraw/zinc/71/66/31/458716631.db2.gz NYUDFUJGAOZDNL-FXAWDEMLSA-N 2 1 336.520 3.306 20 0 EGADMP C[C@]1(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)COc2ccccc2O1 ZINC000530211672 458717788 /nfs/dbraw/zinc/71/77/88/458717788.db2.gz NWVBNEOSZYCESK-WFXMLNOXSA-N 2 1 338.451 3.299 20 0 EGADMP CSc1ccccc1C[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432423050 458737386 /nfs/dbraw/zinc/73/73/86/458737386.db2.gz WLWYBJCCSPYSKW-SJORKVTESA-N 2 1 336.545 3.430 20 0 EGADMP CSc1ccccc1C[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432423050 458737392 /nfs/dbraw/zinc/73/73/92/458737392.db2.gz WLWYBJCCSPYSKW-SJORKVTESA-N 2 1 336.545 3.430 20 0 EGADMP CCc1nc2c(s1)[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)CCC2 ZINC000432423089 458738030 /nfs/dbraw/zinc/73/80/30/458738030.db2.gz WSVVSLLMDJIIDK-LSDHHAIUSA-N 2 1 337.533 3.173 20 0 EGADMP CCc1nc2c(s1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CCC2 ZINC000432423089 458738032 /nfs/dbraw/zinc/73/80/32/458738032.db2.gz WSVVSLLMDJIIDK-LSDHHAIUSA-N 2 1 337.533 3.173 20 0 EGADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCc1c[nH+]cn1C ZINC000530355053 458753513 /nfs/dbraw/zinc/75/35/13/458753513.db2.gz ZQNIYCNZGJEJNL-LLVKDONJSA-N 2 1 340.240 3.085 20 0 EGADMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(Cl)cs3)CC2)CC1 ZINC000494942636 458769719 /nfs/dbraw/zinc/76/97/19/458769719.db2.gz RHBAKUDSKVSDNP-UHFFFAOYSA-N 2 1 341.952 3.392 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440122849 458784057 /nfs/dbraw/zinc/78/40/57/458784057.db2.gz YKZMBPZLZPVKOI-HNJRGHQBSA-N 2 1 347.547 3.257 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000440122849 458784059 /nfs/dbraw/zinc/78/40/59/458784059.db2.gz YKZMBPZLZPVKOI-HNJRGHQBSA-N 2 1 347.547 3.257 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000440122849 458784063 /nfs/dbraw/zinc/78/40/63/458784063.db2.gz YKZMBPZLZPVKOI-HNJRGHQBSA-N 2 1 347.547 3.257 20 0 EGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCC3CCOCC3)CC2)C[C@H](C)O1 ZINC000432837824 458798325 /nfs/dbraw/zinc/79/83/25/458798325.db2.gz WOCVCPZFJVHXDZ-HDICACEKSA-N 2 1 338.536 3.014 20 0 EGADMP C[C@@H]([NH2+]CCCCn1ccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828539 458801383 /nfs/dbraw/zinc/80/13/83/458801383.db2.gz ZHIXZBSVHLNYBO-QUCCMNQESA-N 2 1 326.488 3.164 20 0 EGADMP COC(=O)CC1(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000440716333 458846372 /nfs/dbraw/zinc/84/63/72/458846372.db2.gz RYOAGRWJCPBQQO-UHFFFAOYSA-N 2 1 344.499 3.174 20 0 EGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Nc2cccc(Cl)c2)CC1 ZINC000518430152 458866894 /nfs/dbraw/zinc/86/68/94/458866894.db2.gz QMYZXVSBMOXLEJ-UHFFFAOYSA-N 2 1 345.834 3.131 20 0 EGADMP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000495527261 458876028 /nfs/dbraw/zinc/87/60/28/458876028.db2.gz ZMBNHDYRUSQEJW-IAGOWNOFSA-N 2 1 339.524 3.098 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000474883152 458905320 /nfs/dbraw/zinc/90/53/20/458905320.db2.gz VKJFVPXYYPJZDS-QGZVFWFLSA-N 2 1 344.478 3.469 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000474883152 458905323 /nfs/dbraw/zinc/90/53/23/458905323.db2.gz VKJFVPXYYPJZDS-QGZVFWFLSA-N 2 1 344.478 3.469 20 0 EGADMP CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000495660391 458911610 /nfs/dbraw/zinc/91/16/10/458911610.db2.gz XXXLRQASISQEQM-LJQANCHMSA-N 2 1 339.524 3.099 20 0 EGADMP CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000495660391 458911613 /nfs/dbraw/zinc/91/16/13/458911613.db2.gz XXXLRQASISQEQM-LJQANCHMSA-N 2 1 339.524 3.099 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCO3)C[C@@H]1c1ccccc1 ZINC000556053592 458925214 /nfs/dbraw/zinc/92/52/14/458925214.db2.gz VUHWYRXKGGFLNY-RBUKOAKNSA-N 2 1 338.451 3.383 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCO3)C[C@@H]1c1ccccc1 ZINC000556053592 458925217 /nfs/dbraw/zinc/92/52/17/458925217.db2.gz VUHWYRXKGGFLNY-RBUKOAKNSA-N 2 1 338.451 3.383 20 0 EGADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000475339883 458936806 /nfs/dbraw/zinc/93/68/06/458936806.db2.gz WHYHBVSXGXXVTI-GFOJFJKKSA-N 2 1 329.532 3.217 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000475726996 458960795 /nfs/dbraw/zinc/96/07/95/458960795.db2.gz WWZAEVIXZHEDAB-HZPDHXFCSA-N 2 1 337.508 3.466 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000475726996 458960801 /nfs/dbraw/zinc/96/08/01/458960801.db2.gz WWZAEVIXZHEDAB-HZPDHXFCSA-N 2 1 337.508 3.466 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531724198 458968161 /nfs/dbraw/zinc/96/81/61/458968161.db2.gz CKKRWMRPZNQBKW-OFQRWUPVSA-N 2 1 337.895 3.438 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531724198 458968163 /nfs/dbraw/zinc/96/81/63/458968163.db2.gz CKKRWMRPZNQBKW-OFQRWUPVSA-N 2 1 337.895 3.438 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000531899718 458996614 /nfs/dbraw/zinc/99/66/14/458996614.db2.gz MYJCWOVYRYMYIF-PKOBYXMFSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H]1CO[C@H](c2ccccc2Cl)CN1CCCc1c[nH+]cn1C ZINC000519831615 459013976 /nfs/dbraw/zinc/01/39/76/459013976.db2.gz CXLRMBNFACMWMB-KDOFPFPSSA-N 2 1 333.863 3.468 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)CN(Cc1cc(F)ccc1F)C1CCCC1 ZINC000577408171 459028328 /nfs/dbraw/zinc/02/83/28/459028328.db2.gz KAYJFHDHCXVBLM-QGZVFWFLSA-N 2 1 326.431 3.022 20 0 EGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000442758486 459031645 /nfs/dbraw/zinc/03/16/45/459031645.db2.gz IUFMZCYUSKEFRO-DLBZAZTESA-N 2 1 337.467 3.351 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCOCC4CCC4)[C@H]3C2)cc1 ZINC000577434104 459031986 /nfs/dbraw/zinc/03/19/86/459031986.db2.gz GUFUKRNZCJQSQS-ACRUOGEOSA-N 2 1 328.500 3.303 20 0 EGADMP Cc1cc(N2CCC([NH2+]C3CCC(C(F)F)CC3)CC2)nc(C)[nH+]1 ZINC000442784561 459035710 /nfs/dbraw/zinc/03/57/10/459035710.db2.gz UBYJVIAGKQYWDW-UHFFFAOYSA-N 2 1 338.446 3.476 20 0 EGADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000442810585 459040467 /nfs/dbraw/zinc/04/04/67/459040467.db2.gz MRIGONYSZPOZEI-ZPAWYTMASA-N 2 1 328.500 3.444 20 0 EGADMP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442890519 459055746 /nfs/dbraw/zinc/05/57/46/459055746.db2.gz OMFIZUXASOVQJO-HNAYVOBHSA-N 2 1 333.495 3.065 20 0 EGADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000567169605 459058138 /nfs/dbraw/zinc/05/81/38/459058138.db2.gz WTBDIHCGANGDCL-QAPCUYQASA-N 2 1 329.488 3.388 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(N2CCOC2=O)c1 ZINC000496081876 459058790 /nfs/dbraw/zinc/05/87/90/459058790.db2.gz DHDICFOIWDXNFR-BKTGTZMESA-N 2 1 337.423 3.439 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000442923650 459061267 /nfs/dbraw/zinc/06/12/67/459061267.db2.gz QXKZPNJETVNLIH-KRWDZBQOSA-N 2 1 325.456 3.221 20 0 EGADMP CC[N@@H+](CC(=O)NC1CCCCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999473 459064292 /nfs/dbraw/zinc/06/42/92/459064292.db2.gz KKGLDWXBEIUJSG-UHFFFAOYSA-N 2 1 345.531 3.409 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000532447148 459090723 /nfs/dbraw/zinc/09/07/23/459090723.db2.gz ZYPHZCQYRSSDMB-FHERZECASA-N 2 1 336.442 3.467 20 0 EGADMP CC[C@H](c1ccccc1OC)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000558181469 459137646 /nfs/dbraw/zinc/13/76/46/459137646.db2.gz JJMWPRCTXQFNII-HXUWFJFHSA-N 2 1 347.547 3.494 20 0 EGADMP C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000496290728 459138001 /nfs/dbraw/zinc/13/80/01/459138001.db2.gz DQINMFVHZWMHDS-CVEARBPZSA-N 2 1 339.524 3.144 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc2cc(Br)ccc2c1 ZINC000567645886 459139204 /nfs/dbraw/zinc/13/92/04/459139204.db2.gz HZUMFWNGSJOZHU-SJORKVTESA-N 2 1 349.272 3.451 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000567678538 459144221 /nfs/dbraw/zinc/14/42/21/459144221.db2.gz VJYJJNATKOXEMJ-QFBILLFUSA-N 2 1 338.923 3.345 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+]C(C)(C)C[NH+]2CCCC2)C1 ZINC000496323915 459151119 /nfs/dbraw/zinc/15/11/19/459151119.db2.gz JOELRKLXLFAMAH-INIZCTEOSA-N 2 1 339.524 3.098 20 0 EGADMP c1cc([C@H]2CC[NH+](CCC[N@H+]3CC[C@H](c4ccncc4)C3)C2)ccn1 ZINC000578245813 459170146 /nfs/dbraw/zinc/17/01/46/459170146.db2.gz ZFBFXTZHCNLYHQ-SFTDATJTSA-N 2 1 336.483 3.146 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000590787006 459219280 /nfs/dbraw/zinc/21/92/80/459219280.db2.gz QKVBSBXSMDMURR-QGZVFWFLSA-N 2 1 343.515 3.016 20 0 EGADMP C[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)n1ccnc1 ZINC000578538037 459219907 /nfs/dbraw/zinc/21/99/07/459219907.db2.gz NMHPFWCPCRNRCH-LMMKCTJWSA-N 2 1 340.471 3.004 20 0 EGADMP C[C@]1(CO)CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000568087093 459225307 /nfs/dbraw/zinc/22/53/07/459225307.db2.gz NPVBOSNJYKVWQB-HSALFYBXSA-N 2 1 328.500 3.324 20 0 EGADMP C[C@]1(CO)CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000568087093 459225314 /nfs/dbraw/zinc/22/53/14/459225314.db2.gz NPVBOSNJYKVWQB-HSALFYBXSA-N 2 1 328.500 3.324 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000590819022 459232233 /nfs/dbraw/zinc/23/22/33/459232233.db2.gz TYEYQJSEEWNDOV-KSZLIROESA-N 2 1 337.552 3.217 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000533408615 459232307 /nfs/dbraw/zinc/23/23/07/459232307.db2.gz CHHJQACGQTYYRU-OAHLLOKOSA-N 2 1 342.487 3.449 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000533408615 459232314 /nfs/dbraw/zinc/23/23/14/459232314.db2.gz CHHJQACGQTYYRU-OAHLLOKOSA-N 2 1 342.487 3.449 20 0 EGADMP Cc1ncc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1C ZINC000568269773 459261126 /nfs/dbraw/zinc/26/11/26/459261126.db2.gz XHTKQISHTXRMHT-APWZRJJASA-N 2 1 326.488 3.119 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496639574 459269055 /nfs/dbraw/zinc/26/90/55/459269055.db2.gz KDOSCYGPZOISKC-ULQDDVLXSA-N 2 1 339.524 3.096 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccncc3F)CC2)oc1C ZINC000559766295 459276093 /nfs/dbraw/zinc/27/60/93/459276093.db2.gz BNHBOBNUKBLIRC-AWEZNQCLSA-N 2 1 346.450 3.388 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000581938897 459279062 /nfs/dbraw/zinc/27/90/62/459279062.db2.gz ZYZLJSZBNLCVNB-HDICACEKSA-N 2 1 331.504 3.363 20 0 EGADMP C[C@H](CN[C@H](C)c1cccc(OCC[NH+](C)C)c1)[NH+]1CCC(C)CC1 ZINC000481975708 459283251 /nfs/dbraw/zinc/28/32/51/459283251.db2.gz WZKCWAKHWNBCHI-RTBURBONSA-N 2 1 347.547 3.398 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496677887 459283859 /nfs/dbraw/zinc/28/38/59/459283859.db2.gz NPTPNVXOEHTHIT-ZACQAIPSSA-N 2 1 341.540 3.390 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1F ZINC000482130883 459291505 /nfs/dbraw/zinc/29/15/05/459291505.db2.gz FUHBIGUNCSTXPL-WBVHZDCISA-N 2 1 335.467 3.254 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC1CCCCC1 ZINC000482135493 459292076 /nfs/dbraw/zinc/29/20/76/459292076.db2.gz ISNPQOCKTYFDSN-ZIFCJYIRSA-N 2 1 337.552 3.314 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCN(c3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000560536020 459367489 /nfs/dbraw/zinc/36/74/89/459367489.db2.gz FWVQOAQABJKZBD-HKBOAZHASA-N 2 1 327.516 3.365 20 0 EGADMP CCCOc1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000524609644 459375326 /nfs/dbraw/zinc/37/53/26/459375326.db2.gz IKPAZLJHGROABL-GOSISDBHSA-N 2 1 332.488 3.272 20 0 EGADMP CCCOc1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000524609644 459375333 /nfs/dbraw/zinc/37/53/33/459375333.db2.gz IKPAZLJHGROABL-GOSISDBHSA-N 2 1 332.488 3.272 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2C)[C@@H](C)C1 ZINC000483636214 459377984 /nfs/dbraw/zinc/37/79/84/459377984.db2.gz MBKKYEFOHORNAU-UFYCRDLUSA-N 2 1 348.531 3.489 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)Oc1cccc(Br)c1 ZINC000483817233 459395047 /nfs/dbraw/zinc/39/50/47/459395047.db2.gz KGWBGGLSWJHZBS-WOSRLPQWSA-N 2 1 341.293 3.146 20 0 EGADMP CCCCC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000483956273 459399068 /nfs/dbraw/zinc/39/90/68/459399068.db2.gz LTNMWOFZFTZUPU-UHFFFAOYSA-N 2 1 345.531 3.137 20 0 EGADMP CCc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000524947818 459406362 /nfs/dbraw/zinc/40/63/62/459406362.db2.gz JPBUEWHADDBOLP-IBGZPJMESA-N 2 1 330.497 3.037 20 0 EGADMP CCc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000524947818 459406370 /nfs/dbraw/zinc/40/63/70/459406370.db2.gz JPBUEWHADDBOLP-IBGZPJMESA-N 2 1 330.497 3.037 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000484139776 459407535 /nfs/dbraw/zinc/40/75/35/459407535.db2.gz FXWMPLCUJXFKOS-XJKSGUPXSA-N 2 1 337.305 3.411 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CCC2 ZINC000591582960 459407748 /nfs/dbraw/zinc/40/77/48/459407748.db2.gz VOKDQTCYARPLHH-GJZGRUSLSA-N 2 1 346.471 3.406 20 0 EGADMP CCS[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000591749659 459429233 /nfs/dbraw/zinc/42/92/33/459429233.db2.gz ILFYBWZCFVMKFW-GBESFXJTSA-N 2 1 336.545 3.133 20 0 EGADMP CCS[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000591749659 459429235 /nfs/dbraw/zinc/42/92/35/459429235.db2.gz ILFYBWZCFVMKFW-GBESFXJTSA-N 2 1 336.545 3.133 20 0 EGADMP Fc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000569576896 459474853 /nfs/dbraw/zinc/47/48/53/459474853.db2.gz DZQKZENHTSYUOX-AWEZNQCLSA-N 2 1 341.268 3.410 20 0 EGADMP C[C@@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000583078374 459478606 /nfs/dbraw/zinc/47/86/06/459478606.db2.gz YPQMCMGWXOKKKI-MJGOQNOKSA-N 2 1 338.499 3.447 20 0 EGADMP O=C(Nc1cnc2n1CCCC2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000569676271 459491670 /nfs/dbraw/zinc/49/16/70/459491670.db2.gz ZWKHARWUSDIKJK-KRWDZBQOSA-N 2 1 338.455 3.070 20 0 EGADMP Cc1cc(N2CCC([NH2+]Cc3scnc3C3CC3)CC2)nc(C)[nH+]1 ZINC000562347143 459543924 /nfs/dbraw/zinc/54/39/24/459543924.db2.gz JHUCWOKTTHIIJS-UHFFFAOYSA-N 2 1 343.500 3.186 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000498011437 459565392 /nfs/dbraw/zinc/56/53/92/459565392.db2.gz OTUCQYSCSRTLTN-OTWHNJEPSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000584048158 459640654 /nfs/dbraw/zinc/64/06/54/459640654.db2.gz FPYMYSISGYMBOP-IERDGZPVSA-N 2 1 337.467 3.174 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](C[C@@](C)(O)C(F)(F)F)CC1)CC1CC1 ZINC000499603228 459641687 /nfs/dbraw/zinc/64/16/87/459641687.db2.gz QMCIDTAPPWACJR-MRXNPFEDSA-N 2 1 336.442 3.134 20 0 EGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527666633 459691419 /nfs/dbraw/zinc/69/14/19/459691419.db2.gz UIIHKJJXIGHSPI-NHCUHLMSSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527666633 459691424 /nfs/dbraw/zinc/69/14/24/459691424.db2.gz UIIHKJJXIGHSPI-NHCUHLMSSA-N 2 1 349.478 3.141 20 0 EGADMP C[C@H](Cc1ccsc1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000544009981 459719023 /nfs/dbraw/zinc/71/90/23/459719023.db2.gz QXJWNYNWPYKBIF-FGTMMUONSA-N 2 1 335.561 3.170 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(F)c1 ZINC000544422498 459758215 /nfs/dbraw/zinc/75/82/15/459758215.db2.gz WARUIPYUFSNAGU-HOTGVXAUSA-N 2 1 347.478 3.315 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(F)c1 ZINC000544422498 459758219 /nfs/dbraw/zinc/75/82/19/459758219.db2.gz WARUIPYUFSNAGU-HOTGVXAUSA-N 2 1 347.478 3.315 20 0 EGADMP CC(C)c1cccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000527860842 459761036 /nfs/dbraw/zinc/76/10/36/459761036.db2.gz YOUNVDWARHQPGI-QFBILLFUSA-N 2 1 331.504 3.048 20 0 EGADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC000545151941 459803361 /nfs/dbraw/zinc/80/33/61/459803361.db2.gz HULFRBOHJFSHNQ-QGZVFWFLSA-N 2 1 336.888 3.225 20 0 EGADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC000545151941 459803366 /nfs/dbraw/zinc/80/33/66/459803366.db2.gz HULFRBOHJFSHNQ-QGZVFWFLSA-N 2 1 336.888 3.225 20 0 EGADMP C[C@H](CC(=O)Nc1cccc(CN2CCSCC2)c1)n1ccnc1 ZINC000574759691 459867777 /nfs/dbraw/zinc/86/77/77/459867777.db2.gz JZYHHUBBOSYEFV-OAHLLOKOSA-N 2 1 344.484 3.022 20 0 EGADMP Cc1cncc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000545939555 459875636 /nfs/dbraw/zinc/87/56/36/459875636.db2.gz CVVVTOKNCNDLHN-WMZOPIPTSA-N 2 1 344.528 3.091 20 0 EGADMP Cc1nccnc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000621719768 460026925 /nfs/dbraw/zinc/02/69/25/460026925.db2.gz WCOROJMECXNLGP-UHFFFAOYSA-N 2 1 336.483 3.273 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc21 ZINC000621750201 460047975 /nfs/dbraw/zinc/04/79/75/460047975.db2.gz KPDWRFODVCUMML-QKLQHJQFSA-N 2 1 343.515 3.442 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc21 ZINC000621750201 460047981 /nfs/dbraw/zinc/04/79/81/460047981.db2.gz KPDWRFODVCUMML-QKLQHJQFSA-N 2 1 343.515 3.442 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)c2ccccc21 ZINC000621758646 460052709 /nfs/dbraw/zinc/05/27/09/460052709.db2.gz GEVIEKRLHOKNSF-GOSISDBHSA-N 2 1 329.488 3.196 20 0 EGADMP CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000576254717 460102553 /nfs/dbraw/zinc/10/25/53/460102553.db2.gz VLOKDCPBYPMRRJ-WIYYLYMNSA-N 3 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000576254717 460102561 /nfs/dbraw/zinc/10/25/61/460102561.db2.gz VLOKDCPBYPMRRJ-WIYYLYMNSA-N 3 1 329.532 3.361 20 0 EGADMP COC(=O)CCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000599306417 460223234 /nfs/dbraw/zinc/22/32/34/460223234.db2.gz IAXVMQNPBWXKLL-IEBWSBKVSA-N 2 1 332.488 3.315 20 0 EGADMP COC(=O)CCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000599306417 460223236 /nfs/dbraw/zinc/22/32/36/460223236.db2.gz IAXVMQNPBWXKLL-IEBWSBKVSA-N 2 1 332.488 3.315 20 0 EGADMP COC(=O)CCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000599306417 460223239 /nfs/dbraw/zinc/22/32/39/460223239.db2.gz IAXVMQNPBWXKLL-IEBWSBKVSA-N 2 1 332.488 3.315 20 0 EGADMP COC(=O)CCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000599306417 460223240 /nfs/dbraw/zinc/22/32/40/460223240.db2.gz IAXVMQNPBWXKLL-IEBWSBKVSA-N 2 1 332.488 3.315 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631668601 460501917 /nfs/dbraw/zinc/50/19/17/460501917.db2.gz ZTADPIHJQBKFMN-JTDSTZFVSA-N 2 1 326.488 3.147 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21)C[NH+]1CCCC1 ZINC000623871383 460754021 /nfs/dbraw/zinc/75/40/21/460754021.db2.gz CJXSQZTXGCRGFG-RDTXWAMCSA-N 2 1 347.890 3.245 20 0 EGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000629535028 460799697 /nfs/dbraw/zinc/79/96/97/460799697.db2.gz BVYZRYOOKOHTPB-WFXMLNOXSA-N 2 1 345.531 3.486 20 0 EGADMP CC1(C)CCc2ccccc2[C@H]([NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000629550867 460804558 /nfs/dbraw/zinc/80/45/58/460804558.db2.gz PNTSISRPOYPGHD-IEBWSBKVSA-N 2 1 339.487 3.006 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000635486217 460805587 /nfs/dbraw/zinc/80/55/87/460805587.db2.gz DVWIQDMNZCYVDL-UHFFFAOYSA-N 2 1 346.519 3.121 20 0 EGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1cn([C@@H]3CC[NH2+]C3)nn1)CCC2 ZINC000629553149 460805748 /nfs/dbraw/zinc/80/57/48/460805748.db2.gz UWYMJGLBGGDHDV-UYAOXDASSA-N 2 1 339.487 3.103 20 0 EGADMP OC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC(c2ccccc2)CC1 ZINC000629557828 460807348 /nfs/dbraw/zinc/80/73/48/460807348.db2.gz YSHIWCBLEDNEEC-YZDRJCRTSA-N 2 1 328.500 3.292 20 0 EGADMP C[C@@H]([NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC000635563555 460832858 /nfs/dbraw/zinc/83/28/58/460832858.db2.gz YTQWFGJOSLDJAV-MSOLQXFVSA-N 2 1 343.515 3.108 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629652743 460846663 /nfs/dbraw/zinc/84/66/63/460846663.db2.gz BOWTVABEOPMVLQ-ZFWWWQNUSA-N 2 1 338.377 3.036 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629652743 460846671 /nfs/dbraw/zinc/84/66/71/460846671.db2.gz BOWTVABEOPMVLQ-ZFWWWQNUSA-N 2 1 338.377 3.036 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000635637596 460866108 /nfs/dbraw/zinc/86/61/08/460866108.db2.gz LCRNIQLNIQSADM-INIZCTEOSA-N 2 1 348.878 3.079 20 0 EGADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc(OC)c1OC ZINC000624119700 460868134 /nfs/dbraw/zinc/86/81/34/460868134.db2.gz HJAGUZXOBJVVOO-LSDHHAIUSA-N 2 1 336.476 3.095 20 0 EGADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120995 460871126 /nfs/dbraw/zinc/87/11/26/460871126.db2.gz LHHQEFQMJZTPJH-IAGOWNOFSA-N 2 1 331.504 3.288 20 0 EGADMP O=c1[nH]cccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000624259522 460934768 /nfs/dbraw/zinc/93/47/68/460934768.db2.gz OIRHWRZVPKBSLO-HSALFYBXSA-N 2 1 337.467 3.178 20 0 EGADMP C[C@@H]([NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCCC1)c1ccccc1 ZINC000629958444 460976117 /nfs/dbraw/zinc/97/61/17/460976117.db2.gz AYJMNXZOBKNFTA-QGZVFWFLSA-N 2 1 343.515 3.251 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(F)c(F)c2N(C)C)C[C@H]1C ZINC000628183144 461035202 /nfs/dbraw/zinc/03/52/02/461035202.db2.gz RVWVCTPRTXVWNY-HIFRSBDPSA-N 2 1 325.447 3.335 20 0 EGADMP Cc1ncc(C[N@H+]2CCCN(c3cccc(Cl)c3C)CC2)n1C ZINC000668113639 461111872 /nfs/dbraw/zinc/11/18/72/461111872.db2.gz WPRQQKPLGKUUFV-UHFFFAOYSA-N 2 1 332.879 3.403 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000652350971 461144118 /nfs/dbraw/zinc/14/41/18/461144118.db2.gz BREJOUPIKXFPOG-UWJYYQICSA-N 2 1 337.467 3.229 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)[C@H]1CC[NH3+] ZINC000652355368 461150202 /nfs/dbraw/zinc/15/02/02/461150202.db2.gz WNQKBYYJHHWYOQ-UZLBHIALSA-N 2 1 338.499 3.310 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)[C@H]1CC[NH3+] ZINC000652355368 461150213 /nfs/dbraw/zinc/15/02/13/461150213.db2.gz WNQKBYYJHHWYOQ-UZLBHIALSA-N 2 1 338.499 3.310 20 0 EGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668166228 461151707 /nfs/dbraw/zinc/15/17/07/461151707.db2.gz UTMUTGOTQIERKW-HXUWFJFHSA-N 2 1 332.488 3.162 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668166228 461151714 /nfs/dbraw/zinc/15/17/14/461151714.db2.gz UTMUTGOTQIERKW-HXUWFJFHSA-N 2 1 332.488 3.162 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCc2nsc3ccccc32)C1 ZINC000662282926 461164659 /nfs/dbraw/zinc/16/46/59/461164659.db2.gz DNECLNWCORAWDB-ZTFGCOKTSA-N 2 1 345.512 3.200 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1Cl ZINC000662286616 461166393 /nfs/dbraw/zinc/16/63/93/461166393.db2.gz SAAIDTIJBVLTBK-QRTARXTBSA-N 2 1 338.879 3.067 20 0 EGADMP CSc1ccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662291103 461168248 /nfs/dbraw/zinc/16/82/48/461168248.db2.gz PFLDKHMDKXOIEZ-MRXNPFEDSA-N 2 1 347.528 3.059 20 0 EGADMP CC1(C)CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000637980033 461169390 /nfs/dbraw/zinc/16/93/90/461169390.db2.gz URGSPNDXIWVRKM-UHFFFAOYSA-N 2 1 343.515 3.019 20 0 EGADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295177 461173085 /nfs/dbraw/zinc/17/30/85/461173085.db2.gz FSASCAQAFYVBON-WMZOPIPTSA-N 2 1 329.488 3.034 20 0 EGADMP CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)c(C)c1 ZINC000668196563 461174172 /nfs/dbraw/zinc/17/41/72/461174172.db2.gz PIPZBSQNUXGVDI-YOFSQIOKSA-N 2 1 346.515 3.467 20 0 EGADMP CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)c(C)c1 ZINC000668196563 461174179 /nfs/dbraw/zinc/17/41/79/461174179.db2.gz PIPZBSQNUXGVDI-YOFSQIOKSA-N 2 1 346.515 3.467 20 0 EGADMP CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)c(C)c1 ZINC000668196563 461174186 /nfs/dbraw/zinc/17/41/86/461174186.db2.gz PIPZBSQNUXGVDI-YOFSQIOKSA-N 2 1 346.515 3.467 20 0 EGADMP O=C(CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccccc1Cl ZINC000662295666 461174940 /nfs/dbraw/zinc/17/49/40/461174940.db2.gz HODNFYVKJLADJD-MRXNPFEDSA-N 2 1 349.906 3.380 20 0 EGADMP Cc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])n2)cc1 ZINC000662316830 461187859 /nfs/dbraw/zinc/18/78/59/461187859.db2.gz XHVFNAZHVZCFGH-NVXWUHKLSA-N 2 1 328.460 3.384 20 0 EGADMP C[N@H+](Cc1ccnn1CC1CC1)C1CCN(CCC(F)(F)F)CC1 ZINC000668229002 461194083 /nfs/dbraw/zinc/19/40/83/461194083.db2.gz WARRRFUOGXPFSV-UHFFFAOYSA-N 2 1 344.425 3.142 20 0 EGADMP C[N@@H+](Cc1ccnn1CC1CC1)C1CCN(CCC(F)(F)F)CC1 ZINC000668229002 461194090 /nfs/dbraw/zinc/19/40/90/461194090.db2.gz WARRRFUOGXPFSV-UHFFFAOYSA-N 2 1 344.425 3.142 20 0 EGADMP O=C(C[C@H]1[NH2+]Cc2ccccc21)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000662381636 461224078 /nfs/dbraw/zinc/22/40/78/461224078.db2.gz YLYOPROHIRIDLR-TZIWHRDSSA-N 2 1 349.478 3.002 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000655444036 461254130 /nfs/dbraw/zinc/25/41/30/461254130.db2.gz IBEAXKDKCYPXBK-BSIFCXSSSA-N 2 1 341.499 3.389 20 0 EGADMP CC[N@H+](Cc1ccc(=O)[nH]c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638138403 461266738 /nfs/dbraw/zinc/26/67/38/461266738.db2.gz AIDBSWLZOIJKDI-IBGZPJMESA-N 2 1 325.456 3.131 20 0 EGADMP CC[NH+](Cc1ccc(=O)[nH]c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638138403 461266746 /nfs/dbraw/zinc/26/67/46/461266746.db2.gz AIDBSWLZOIJKDI-IBGZPJMESA-N 2 1 325.456 3.131 20 0 EGADMP CC[NH+](Cc1ccc(=O)[nH]c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638138403 461266755 /nfs/dbraw/zinc/26/67/55/461266755.db2.gz AIDBSWLZOIJKDI-IBGZPJMESA-N 2 1 325.456 3.131 20 0 EGADMP CC(C[NH+]1CCC[C@@H](OC(C)C)C1)C[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000649702739 461290768 /nfs/dbraw/zinc/29/07/68/461290768.db2.gz LYQRIAXVYDANNW-WOJBJXKFSA-N 2 1 340.552 3.401 20 0 EGADMP CC(C)NC(=O)CNC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638278505 461345690 /nfs/dbraw/zinc/34/56/90/461345690.db2.gz CDGIXMDVQLLYTD-NRFANRHFSA-N 2 1 345.531 3.039 20 0 EGADMP CC(C)NC(=O)C[NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638278505 461345700 /nfs/dbraw/zinc/34/57/00/461345700.db2.gz CDGIXMDVQLLYTD-NRFANRHFSA-N 2 1 345.531 3.039 20 0 EGADMP CC(C)NC(=O)C[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638278505 461345708 /nfs/dbraw/zinc/34/57/08/461345708.db2.gz CDGIXMDVQLLYTD-NRFANRHFSA-N 2 1 345.531 3.039 20 0 EGADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000641803686 461380458 /nfs/dbraw/zinc/38/04/58/461380458.db2.gz DLZFUVMAUCHYGY-NEPJUHHUSA-N 2 1 349.784 3.013 20 0 EGADMP CO[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@@H]1CCOC1 ZINC000638367140 461391092 /nfs/dbraw/zinc/39/10/92/461391092.db2.gz MKXLZMLWYCXJMH-DUXKGJEZSA-N 2 1 346.515 3.202 20 0 EGADMP c1c2ccccc2oc1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655730857 461398672 /nfs/dbraw/zinc/39/86/72/461398672.db2.gz UQVOBIYGBUMSIP-IBGZPJMESA-N 2 1 328.456 3.208 20 0 EGADMP CCn1c(C)cc2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655744297 461412900 /nfs/dbraw/zinc/41/29/00/461412900.db2.gz OZANFCDGBWUROF-AZUAARDMSA-N 2 1 345.531 3.427 20 0 EGADMP FC(F)(F)[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655755699 461423018 /nfs/dbraw/zinc/42/30/18/461423018.db2.gz IPWKMEZYNKNTLE-IAGOWNOFSA-N 2 1 342.405 3.175 20 0 EGADMP Fc1ccccc1[C@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655764995 461431349 /nfs/dbraw/zinc/43/13/49/461431349.db2.gz WRVTYJHHXUPWNY-SZMVWBNQSA-N 2 1 332.463 3.305 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000655780573 461443851 /nfs/dbraw/zinc/44/38/51/461443851.db2.gz WEUZKNRNQQLZJA-INIZCTEOSA-N 2 1 330.451 3.141 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)CN(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858634 461461400 /nfs/dbraw/zinc/46/14/00/461461400.db2.gz XMCHNUSNUMGSRI-CZUORRHYSA-N 2 1 332.410 3.399 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)CN(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858637 461461635 /nfs/dbraw/zinc/46/16/35/461461635.db2.gz XMCHNUSNUMGSRI-XJKSGUPXSA-N 2 1 332.410 3.399 20 0 EGADMP CC(C)(C)NC(=O)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638580148 461491062 /nfs/dbraw/zinc/49/10/62/461491062.db2.gz DXURDXJCVYGWSJ-PKOBYXMFSA-N 2 1 343.515 3.249 20 0 EGADMP CC(C)(C)NC(=O)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638580148 461491073 /nfs/dbraw/zinc/49/10/73/461491073.db2.gz DXURDXJCVYGWSJ-PKOBYXMFSA-N 2 1 343.515 3.249 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000653108153 461504906 /nfs/dbraw/zinc/50/49/06/461504906.db2.gz KPPXLVLCMHRHLW-SJLPKXTDSA-N 2 1 329.488 3.389 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)CC[N@H+]1C ZINC000638706544 461544172 /nfs/dbraw/zinc/54/41/72/461544172.db2.gz GKLWBBRHDGOQPV-RDPOXOKHSA-N 2 1 327.516 3.427 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC[NH+]1C ZINC000638706544 461544178 /nfs/dbraw/zinc/54/41/78/461544178.db2.gz GKLWBBRHDGOQPV-RDPOXOKHSA-N 2 1 327.516 3.427 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC[NH+]1C ZINC000638706544 461544182 /nfs/dbraw/zinc/54/41/82/461544182.db2.gz GKLWBBRHDGOQPV-RDPOXOKHSA-N 2 1 327.516 3.427 20 0 EGADMP Cc1cn2c(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)c(C)nc2s1 ZINC000663346611 461576063 /nfs/dbraw/zinc/57/60/63/461576063.db2.gz ATWQRXVRDJLKPX-MRXNPFEDSA-N 2 1 332.517 3.224 20 0 EGADMP Cc1cn2c(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)c(C)nc2s1 ZINC000663346611 461576073 /nfs/dbraw/zinc/57/60/73/461576073.db2.gz ATWQRXVRDJLKPX-MRXNPFEDSA-N 2 1 332.517 3.224 20 0 EGADMP c1nn(Cc2ccccc2)cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346667 461578298 /nfs/dbraw/zinc/57/82/98/461578298.db2.gz CHBMGQKTZXCYHD-HXUWFJFHSA-N 2 1 338.499 3.143 20 0 EGADMP c1nn(Cc2ccccc2)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346667 461578308 /nfs/dbraw/zinc/57/83/08/461578308.db2.gz CHBMGQKTZXCYHD-HXUWFJFHSA-N 2 1 338.499 3.143 20 0 EGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347548 461579403 /nfs/dbraw/zinc/57/94/03/461579403.db2.gz NZRSLZBCPGHTFM-LJQANCHMSA-N 2 1 338.499 3.392 20 0 EGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347548 461579406 /nfs/dbraw/zinc/57/94/06/461579406.db2.gz NZRSLZBCPGHTFM-LJQANCHMSA-N 2 1 338.499 3.392 20 0 EGADMP Cc1nnsc1C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000638796561 461582640 /nfs/dbraw/zinc/58/26/40/461582640.db2.gz KXDKKDCOYDKJRR-PBHICJAKSA-N 2 1 330.501 3.237 20 0 EGADMP Cc1cccc2nc(CC[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cn21 ZINC000647262849 461598791 /nfs/dbraw/zinc/59/87/91/461598791.db2.gz UANBYWSFESWOER-UHFFFAOYSA-N 2 1 348.494 3.439 20 0 EGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000663378764 461602543 /nfs/dbraw/zinc/60/25/43/461602543.db2.gz ZXTAIRHMPWVVQU-SFHVURJKSA-N 2 1 331.504 3.140 20 0 EGADMP Cc1cc(C)c(/C=C/C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(C)c1 ZINC000631177632 461615974 /nfs/dbraw/zinc/61/59/74/461615974.db2.gz MHAKADRAEBDYHF-SGSXCFNPSA-N 2 1 328.500 3.468 20 0 EGADMP COc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1C(C)(C)C ZINC000631180862 461619129 /nfs/dbraw/zinc/61/91/29/461619129.db2.gz WHWVUYSFJPMOPU-UHFFFAOYSA-N 2 1 347.547 3.062 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCNc3ccccn3)CC[N@@H+]2C2CC2)cc1 ZINC000638870463 461630430 /nfs/dbraw/zinc/63/04/30/461630430.db2.gz QQRNSSUDEAJWJB-ICSRJNTNSA-N 2 1 336.483 3.451 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCNc3ccccn3)CC[N@H+]2C2CC2)cc1 ZINC000638870463 461630440 /nfs/dbraw/zinc/63/04/40/461630440.db2.gz QQRNSSUDEAJWJB-ICSRJNTNSA-N 2 1 336.483 3.451 20 0 EGADMP COCc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000631196852 461636869 /nfs/dbraw/zinc/63/68/69/461636869.db2.gz VTQHGBHKQMYJFO-FUHWJXTLSA-N 2 1 328.456 3.284 20 0 EGADMP COCc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000631196852 461636878 /nfs/dbraw/zinc/63/68/78/461636878.db2.gz VTQHGBHKQMYJFO-FUHWJXTLSA-N 2 1 328.456 3.284 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1-n1ccnn1 ZINC000663465537 461655752 /nfs/dbraw/zinc/65/57/52/461655752.db2.gz KJMOOWLHUIVQGI-AEFFLSMTSA-N 2 1 339.487 3.040 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)c(C)n2n1 ZINC000663467180 461658478 /nfs/dbraw/zinc/65/84/78/461658478.db2.gz DDZZTQNWHCKJFT-CRAIPNDOSA-N 2 1 341.503 3.119 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)c(C)n2n1 ZINC000663467180 461658485 /nfs/dbraw/zinc/65/84/85/461658485.db2.gz DDZZTQNWHCKJFT-CRAIPNDOSA-N 2 1 341.503 3.119 20 0 EGADMP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469581 461660074 /nfs/dbraw/zinc/66/00/74/461660074.db2.gz QVAFOJOKBNMSPE-DOTOQJQBSA-N 2 1 347.478 3.254 20 0 EGADMP c1cncc(COc2ccc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)cc2)c1 ZINC000647482668 461730691 /nfs/dbraw/zinc/73/06/91/461730691.db2.gz XBXAEMXKEYQMLE-UHFFFAOYSA-N 2 1 337.467 3.377 20 0 EGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000647493802 461734013 /nfs/dbraw/zinc/73/40/13/461734013.db2.gz SARPTOIMJHXYRN-GOSISDBHSA-N 2 1 328.431 3.446 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000647493802 461734025 /nfs/dbraw/zinc/73/40/25/461734025.db2.gz SARPTOIMJHXYRN-GOSISDBHSA-N 2 1 328.431 3.446 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2[C@H]2CCCOC2)cc1 ZINC000656406069 461736016 /nfs/dbraw/zinc/73/60/16/461736016.db2.gz LTPUKYYTSOGRNO-AFDCHOCNSA-N 2 1 326.484 3.008 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2[C@H]2CCCOC2)cc1 ZINC000656406069 461736024 /nfs/dbraw/zinc/73/60/24/461736024.db2.gz LTPUKYYTSOGRNO-AFDCHOCNSA-N 2 1 326.484 3.008 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2[C@H]2CCCOC2)cc1 ZINC000656406069 461736028 /nfs/dbraw/zinc/73/60/28/461736028.db2.gz LTPUKYYTSOGRNO-AFDCHOCNSA-N 2 1 326.484 3.008 20 0 EGADMP c1ccc2c(c1)onc2CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000653587109 461742907 /nfs/dbraw/zinc/74/29/07/461742907.db2.gz PPMWFIGDUMEGLF-DNVCBOLYSA-N 2 1 325.456 3.319 20 0 EGADMP c1ccc2c(c1)onc2CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000653587109 461742917 /nfs/dbraw/zinc/74/29/17/461742917.db2.gz PPMWFIGDUMEGLF-DNVCBOLYSA-N 2 1 325.456 3.319 20 0 EGADMP c1ccc2c(c1)onc2CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000653587109 461742926 /nfs/dbraw/zinc/74/29/26/461742926.db2.gz PPMWFIGDUMEGLF-DNVCBOLYSA-N 2 1 325.456 3.319 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)cc(Cl)c2N)CCCO1 ZINC000639122999 461743571 /nfs/dbraw/zinc/74/35/71/461743571.db2.gz VZCMAVJFQCIALZ-GFCCVEGCSA-N 2 1 346.302 3.166 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)cc(Cl)c2N)CCCO1 ZINC000639122999 461743577 /nfs/dbraw/zinc/74/35/77/461743577.db2.gz VZCMAVJFQCIALZ-GFCCVEGCSA-N 2 1 346.302 3.166 20 0 EGADMP CO[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000669621126 461744321 /nfs/dbraw/zinc/74/43/21/461744321.db2.gz ITZDYBUYPGRRBJ-FXAWDEMLSA-N 2 1 332.488 3.161 20 0 EGADMP Cn1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000647535686 461753238 /nfs/dbraw/zinc/75/32/38/461753238.db2.gz ZPQBIXWRWXXVKT-HNNXBMFYSA-N 2 1 338.455 3.394 20 0 EGADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647542882 461756163 /nfs/dbraw/zinc/75/61/63/461756163.db2.gz DIOASHUGCVOZSC-HOTGVXAUSA-N 2 1 336.549 3.201 20 0 EGADMP Cc1cc(CO)cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]1 ZINC000663700886 461763167 /nfs/dbraw/zinc/76/31/67/461763167.db2.gz UXXRZINENSTKTI-QFBILLFUSA-N 2 1 325.456 3.347 20 0 EGADMP Cc1cc(CO)cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]1 ZINC000663700886 461763175 /nfs/dbraw/zinc/76/31/75/461763175.db2.gz UXXRZINENSTKTI-QFBILLFUSA-N 2 1 325.456 3.347 20 0 EGADMP FC(F)(F)c1ccc(CCC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000653645936 461781525 /nfs/dbraw/zinc/78/15/25/461781525.db2.gz DBWGTJCJWFSUCB-UHFFFAOYSA-N 2 1 338.377 3.183 20 0 EGADMP COc1cc(Cl)c(CN2CC[C@H](c3nccn3C)C2)cc1OC ZINC000639178040 461786038 /nfs/dbraw/zinc/78/60/38/461786038.db2.gz YINPKHVPYMMIRO-LBPRGKRZSA-N 2 1 335.835 3.080 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000663828216 461826318 /nfs/dbraw/zinc/82/63/18/461826318.db2.gz JDRAZKXIFHLKHT-INIZCTEOSA-N 2 1 332.488 3.040 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(CC(F)(F)F)cc1)CCO2 ZINC000639286863 461845755 /nfs/dbraw/zinc/84/57/55/461845755.db2.gz FQXQLTMCCMCGCV-UHFFFAOYSA-N 2 1 342.405 3.088 20 0 EGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000660550091 461847994 /nfs/dbraw/zinc/84/79/94/461847994.db2.gz SXCRDOOSFBGVGZ-HOCLYGCPSA-N 2 1 346.437 3.269 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000660550091 461848002 /nfs/dbraw/zinc/84/80/02/461848002.db2.gz SXCRDOOSFBGVGZ-HOCLYGCPSA-N 2 1 346.437 3.269 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000660550091 461848011 /nfs/dbraw/zinc/84/80/11/461848011.db2.gz SXCRDOOSFBGVGZ-HOCLYGCPSA-N 2 1 346.437 3.269 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000660550091 461848019 /nfs/dbraw/zinc/84/80/19/461848019.db2.gz SXCRDOOSFBGVGZ-HOCLYGCPSA-N 2 1 346.437 3.269 20 0 EGADMP CC(C)[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1CC[NH2+]C1 ZINC000647877513 461867512 /nfs/dbraw/zinc/86/75/12/461867512.db2.gz SQXXDRKRSCEGCR-GFCCVEGCSA-N 2 1 329.257 3.408 20 0 EGADMP CC(C)[N@H+](Cc1cc(Br)ccc1F)C[C@@H]1CC[NH2+]C1 ZINC000647877513 461867515 /nfs/dbraw/zinc/86/75/15/461867515.db2.gz SQXXDRKRSCEGCR-GFCCVEGCSA-N 2 1 329.257 3.408 20 0 EGADMP O=C(NC[C@@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1)c1ccccc1 ZINC000647883341 461870103 /nfs/dbraw/zinc/87/01/03/461870103.db2.gz GLXFMFPFCZAPDF-FQEVSTJZSA-N 2 1 343.515 3.051 20 0 EGADMP Cc1nc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)co1 ZINC000660623634 461886057 /nfs/dbraw/zinc/88/60/57/461886057.db2.gz PAQICXDLXUPCBA-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP Cc1nc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)co1 ZINC000660623634 461886064 /nfs/dbraw/zinc/88/60/64/461886064.db2.gz PAQICXDLXUPCBA-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656785166 461895651 /nfs/dbraw/zinc/89/56/51/461895651.db2.gz JWZROMMEPQXQMU-NRFANRHFSA-N 2 1 338.499 3.143 20 0 EGADMP C[N@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)CC(C)(C)[NH3+] ZINC000656785775 461896400 /nfs/dbraw/zinc/89/64/00/461896400.db2.gz QGQFLTZSWVVYHY-UHFFFAOYSA-N 2 1 326.366 3.060 20 0 EGADMP C[N@@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)CC(C)(C)[NH3+] ZINC000656785775 461896402 /nfs/dbraw/zinc/89/64/02/461896402.db2.gz QGQFLTZSWVVYHY-UHFFFAOYSA-N 2 1 326.366 3.060 20 0 EGADMP c1ccc(-c2ncc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cn2)cc1 ZINC000656786217 461898476 /nfs/dbraw/zinc/89/84/76/461898476.db2.gz PUHRARMBDZBBLZ-HXUWFJFHSA-N 2 1 336.483 3.355 20 0 EGADMP COc1ccc2oc(C[N@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)cc2c1 ZINC000650707264 461899873 /nfs/dbraw/zinc/89/98/73/461899873.db2.gz BXMRHCPCIFDJKZ-YYFZDKIDSA-N 2 1 344.455 3.160 20 0 EGADMP Cc1nc2ccc(C[N@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)cc2s1 ZINC000650707292 461900054 /nfs/dbraw/zinc/90/00/54/461900054.db2.gz CLDDCNQBUFUOPZ-JZXOWHBKSA-N 2 1 345.512 3.323 20 0 EGADMP CC1(C)Cc2cc(C[N@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)ccc2O1 ZINC000650707434 461900728 /nfs/dbraw/zinc/90/07/28/461900728.db2.gz GDZUQVWZXIXHRH-HQRMLTQVSA-N 2 1 344.499 3.118 20 0 EGADMP CC[C@@H](C)Oc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1OC ZINC000650709283 461902955 /nfs/dbraw/zinc/90/29/55/461902955.db2.gz OUSBFYJXYJMEHU-SYNHAJSKSA-N 2 1 332.488 3.433 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1OCc1cccnc1)C2 ZINC000650709938 461903322 /nfs/dbraw/zinc/90/33/22/461903322.db2.gz YEUOHJIGUBRRAM-FPOVZHCZSA-N 2 1 337.467 3.221 20 0 EGADMP COc1cccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1OC(F)F ZINC000666999468 461905602 /nfs/dbraw/zinc/90/56/02/461905602.db2.gz LASZACWTKNGUAN-CYBMUJFWSA-N 2 1 326.387 3.061 20 0 EGADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975090 461916490 /nfs/dbraw/zinc/91/64/90/461916490.db2.gz KROAWVIXSNPXCA-QXAKKESOSA-N 2 1 343.515 3.288 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC000647976113 461918753 /nfs/dbraw/zinc/91/87/53/461918753.db2.gz KECWMMSEWRHIQK-YESZJQIVSA-N 2 1 347.478 3.173 20 0 EGADMP CSc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976619 461919513 /nfs/dbraw/zinc/91/95/13/461919513.db2.gz RDZHNEWGJMXIHJ-CVEARBPZSA-N 2 1 347.528 3.059 20 0 EGADMP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978159 461920194 /nfs/dbraw/zinc/92/01/94/461920194.db2.gz NJKUNPZFDWCBMQ-SQNIBIBYSA-N 2 1 339.487 3.040 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650752865 461935780 /nfs/dbraw/zinc/93/57/80/461935780.db2.gz BXWQNGLCXDROII-LBPRGKRZSA-N 2 1 345.418 3.102 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C)o2)C[C@@H]1C ZINC000648009907 461936914 /nfs/dbraw/zinc/93/69/14/461936914.db2.gz BENWNWUZULWEGC-WMLDXEAASA-N 2 1 330.476 3.293 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C)o2)C[C@@H]1C ZINC000648009907 461936921 /nfs/dbraw/zinc/93/69/21/461936921.db2.gz BENWNWUZULWEGC-WMLDXEAASA-N 2 1 330.476 3.293 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C)o2)C[C@@H]1C ZINC000648009907 461936928 /nfs/dbraw/zinc/93/69/28/461936928.db2.gz BENWNWUZULWEGC-WMLDXEAASA-N 2 1 330.476 3.293 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C)o2)C[C@@H]1C ZINC000648009907 461936938 /nfs/dbraw/zinc/93/69/38/461936938.db2.gz BENWNWUZULWEGC-WMLDXEAASA-N 2 1 330.476 3.293 20 0 EGADMP Cc1ccccc1C1(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644539513 461977403 /nfs/dbraw/zinc/97/74/03/461977403.db2.gz VDDFIEAQGQPBRK-HXUWFJFHSA-N 2 1 338.495 3.109 20 0 EGADMP Cc1ccccc1C1(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644539513 461977407 /nfs/dbraw/zinc/97/74/07/461977407.db2.gz VDDFIEAQGQPBRK-HXUWFJFHSA-N 2 1 338.495 3.109 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182723 461983158 /nfs/dbraw/zinc/98/31/58/461983158.db2.gz LVPCKZVBABFSJX-WOJBJXKFSA-N 2 1 329.532 3.361 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000639594240 462008779 /nfs/dbraw/zinc/00/87/79/462008779.db2.gz YEQUWCXSCPLSBL-QZTJIDSGSA-N 2 1 326.488 3.233 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000639594240 462008784 /nfs/dbraw/zinc/00/87/84/462008784.db2.gz YEQUWCXSCPLSBL-QZTJIDSGSA-N 2 1 326.488 3.233 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000639594240 462008790 /nfs/dbraw/zinc/00/87/90/462008790.db2.gz YEQUWCXSCPLSBL-QZTJIDSGSA-N 2 1 326.488 3.233 20 0 EGADMP CCC(CC)[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000644616673 462011360 /nfs/dbraw/zinc/01/13/60/462011360.db2.gz RVJQDMWSOZTXQP-HKBOAZHASA-N 2 1 348.531 3.053 20 0 EGADMP CCC(CC)[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000644616673 462011367 /nfs/dbraw/zinc/01/13/67/462011367.db2.gz RVJQDMWSOZTXQP-HKBOAZHASA-N 2 1 348.531 3.053 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000657293704 462022510 /nfs/dbraw/zinc/02/25/10/462022510.db2.gz UBAQNNVICURQQG-QZTJIDSGSA-N 2 1 334.504 3.454 20 0 EGADMP FC(F)(F)c1cccnc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684478 462056431 /nfs/dbraw/zinc/05/64/31/462056431.db2.gz VMQKDQACMXKWNG-UHFFFAOYSA-N 2 1 336.361 3.208 20 0 EGADMP FC(F)(F)c1cccnc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684478 462056434 /nfs/dbraw/zinc/05/64/34/462056434.db2.gz VMQKDQACMXKWNG-UHFFFAOYSA-N 2 1 336.361 3.208 20 0 EGADMP C[C@@H](CC[NH2+]Cc1c(C2CC2)cnn1C)[N@H+](C)Cc1ccccc1 ZINC000657384996 462088330 /nfs/dbraw/zinc/08/83/30/462088330.db2.gz WMFQBBBOQZACNI-INIZCTEOSA-N 2 1 326.488 3.298 20 0 EGADMP C[C@@H](CC[NH2+]Cc1c(C2CC2)cnn1C)[N@@H+](C)Cc1ccccc1 ZINC000657384996 462088335 /nfs/dbraw/zinc/08/83/35/462088335.db2.gz WMFQBBBOQZACNI-INIZCTEOSA-N 2 1 326.488 3.298 20 0 EGADMP CCc1cccc2cc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)oc21 ZINC000657401774 462099919 /nfs/dbraw/zinc/09/99/19/462099919.db2.gz XPRPSXSOKGLPDN-PMACEKPBSA-N 2 1 342.483 3.463 20 0 EGADMP Cc1c(Br)cncc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000667587122 462159896 /nfs/dbraw/zinc/15/98/96/462159896.db2.gz HUKDAMHNDCTEEZ-AWEZNQCLSA-N 2 1 335.249 3.186 20 0 EGADMP Cc1c(Br)cncc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000667587122 462159903 /nfs/dbraw/zinc/15/99/03/462159903.db2.gz HUKDAMHNDCTEEZ-AWEZNQCLSA-N 2 1 335.249 3.186 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)Nc1cccc(C[NH3+])c1)c1ccccc1Cl ZINC000667732722 462237102 /nfs/dbraw/zinc/23/71/02/462237102.db2.gz QGJRONOUKJUHED-KRWDZBQOSA-N 2 1 346.862 3.223 20 0 EGADMP [NH3+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000667735068 462238754 /nfs/dbraw/zinc/23/87/54/462238754.db2.gz HBGIIHZIPUUOAT-GOSISDBHSA-N 2 1 330.476 3.064 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000648754606 462262836 /nfs/dbraw/zinc/26/28/36/462262836.db2.gz RGNONECTTOMCDW-INIZCTEOSA-N 2 1 346.519 3.167 20 0 EGADMP COCCc1ccc(OC[C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000667853917 462295358 /nfs/dbraw/zinc/29/53/58/462295358.db2.gz SVMUHJTYIRRYPR-AZUAARDMSA-N 2 1 348.531 3.353 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnnn1-c1ccccc1 ZINC000651678513 462300959 /nfs/dbraw/zinc/30/09/59/462300959.db2.gz SOGHWZRIGFXKTP-KRWDZBQOSA-N 2 1 327.476 3.012 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(C(F)F)nc1 ZINC000657926007 462319974 /nfs/dbraw/zinc/31/99/74/462319974.db2.gz QXTBAVQUSOOTQQ-JCURWCKSSA-N 2 1 339.430 3.048 20 0 EGADMP Cc1cc(N2CCC([NH2+]Cc3cccc4c3CCC4)CC2)nc(C)[nH+]1 ZINC000651752766 462326119 /nfs/dbraw/zinc/32/61/19/462326119.db2.gz SXTXKLZVSSXZRS-UHFFFAOYSA-N 2 1 336.483 3.341 20 0 EGADMP N[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000665240572 462364351 /nfs/dbraw/zinc/36/43/51/462364351.db2.gz NTNMIYKQGLAFIN-SFTDATJTSA-N 2 1 336.483 3.028 20 0 EGADMP COc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2C)c2ccccn2)cc1 ZINC000652141421 462448407 /nfs/dbraw/zinc/44/84/07/462448407.db2.gz OXRJKTZBAOAPMT-HXUWFJFHSA-N 2 1 336.439 3.364 20 0 EGADMP [NH3+][C@@H](CCC(=O)NCC[NH+]1Cc2ccccc2C1)CC1CCCCC1 ZINC000649306568 462473971 /nfs/dbraw/zinc/47/39/71/462473971.db2.gz YQFSRTSIGAQAIO-FQEVSTJZSA-N 2 1 343.515 3.196 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1c(Cl)ccc3cccnc31)CCO2 ZINC000646103282 462518943 /nfs/dbraw/zinc/51/89/43/462518943.db2.gz AFFNMEGALWSTJM-UHFFFAOYSA-N 2 1 345.874 3.185 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1c(Cl)ccc3cccnc31)CCO2 ZINC000646103282 462518945 /nfs/dbraw/zinc/51/89/45/462518945.db2.gz AFFNMEGALWSTJM-UHFFFAOYSA-N 2 1 345.874 3.185 20 0 EGADMP O[C@@H]1CC[N@H+](C2CC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)C1 ZINC000662150293 462531997 /nfs/dbraw/zinc/53/19/97/462531997.db2.gz UKKIDPGZTXXQNU-YFVAEKQCSA-N 2 1 328.500 3.101 20 0 EGADMP Brc1cncc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000183726514 526650490 /nfs/dbraw/zinc/65/04/90/526650490.db2.gz MBQACFAYBHXUIG-UHFFFAOYSA-N 2 1 338.293 3.341 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000167143640 528844404 /nfs/dbraw/zinc/84/44/04/528844404.db2.gz SQNICUDMNUPLPK-IEBWSBKVSA-N 2 1 334.504 3.230 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000167143640 528844414 /nfs/dbraw/zinc/84/44/14/528844414.db2.gz SQNICUDMNUPLPK-IEBWSBKVSA-N 2 1 334.504 3.230 20 0 EGADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC000354602894 535556128 /nfs/dbraw/zinc/55/61/28/535556128.db2.gz PSQVEVJBVUTUJC-LJQANCHMSA-N 2 1 347.503 3.220 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(=O)N1CCCC1 ZINC000089723215 546647553 /nfs/dbraw/zinc/64/75/53/546647553.db2.gz YUFNMIOUHCOCPX-SXLOBPIMSA-N 2 1 349.563 3.266 20 0 EGADMP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H]1CCCCO1 ZINC000092428859 546674545 /nfs/dbraw/zinc/67/45/45/546674545.db2.gz GRQQIXXBLXYOHT-FQEVSTJZSA-N 2 1 332.488 3.162 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)[C@H](CCO)c2ccccc2)cc1 ZINC000093442358 546685174 /nfs/dbraw/zinc/68/51/74/546685174.db2.gz SUVHTJVITVKWAL-OAQYLSRUSA-N 2 1 342.483 3.183 20 0 EGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccco1 ZINC000151902849 546860937 /nfs/dbraw/zinc/86/09/37/546860937.db2.gz BEFKQCSGVJLJBE-IEBWSBKVSA-N 2 1 327.472 3.309 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)CC1 ZINC000155417753 546902054 /nfs/dbraw/zinc/90/20/54/546902054.db2.gz HMQWLRSZNAUIOS-KSSFIOAISA-N 2 1 345.487 3.321 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(N2CCCC2=O)c1 ZINC000161620580 546958177 /nfs/dbraw/zinc/95/81/77/546958177.db2.gz UKLOOZDXJHOYPM-RYQLBKOJSA-N 2 1 327.472 3.091 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(N2CCCC2=O)c1 ZINC000161620580 546958180 /nfs/dbraw/zinc/95/81/80/546958180.db2.gz UKLOOZDXJHOYPM-RYQLBKOJSA-N 2 1 327.472 3.091 20 0 EGADMP CCOc1cc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC ZINC000166647482 546989560 /nfs/dbraw/zinc/98/95/60/546989560.db2.gz YIFRCOMSAITQOM-QZTJIDSGSA-N 2 1 332.488 3.243 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccnn1-c1ccccc1 ZINC000281161970 547376494 /nfs/dbraw/zinc/37/64/94/547376494.db2.gz BMWWERDNHUOFAE-ROUUACIJSA-N 2 1 342.487 3.024 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccnn1-c1ccccc1 ZINC000281161970 547376500 /nfs/dbraw/zinc/37/65/00/547376500.db2.gz BMWWERDNHUOFAE-ROUUACIJSA-N 2 1 342.487 3.024 20 0 EGADMP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339068642 547568569 /nfs/dbraw/zinc/56/85/69/547568569.db2.gz RYTYMNCOMLEZHL-IKGGRYGDSA-N 2 1 349.906 3.144 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000339234348 547571133 /nfs/dbraw/zinc/57/11/33/547571133.db2.gz PTBJZEDFUDABSY-GOSISDBHSA-N 2 1 343.515 3.163 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398111913 547837027 /nfs/dbraw/zinc/83/70/27/547837027.db2.gz DJCSHUJWNMECBO-HOJAQTOUSA-N 2 1 345.531 3.024 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000414294734 547854948 /nfs/dbraw/zinc/85/49/48/547854948.db2.gz DUYIDJVXMMIAIG-SPUZQDLCSA-N 2 1 338.442 3.178 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000414294734 547854952 /nfs/dbraw/zinc/85/49/52/547854952.db2.gz DUYIDJVXMMIAIG-SPUZQDLCSA-N 2 1 338.442 3.178 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000414922066 547861918 /nfs/dbraw/zinc/86/19/18/547861918.db2.gz GGMNBRGJFWUHJU-KGLIPLIRSA-N 2 1 349.276 3.199 20 0 EGADMP C[N@H+](Cc1cnc(C2CC2)nc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000459476998 547943206 /nfs/dbraw/zinc/94/32/06/547943206.db2.gz FLGZALBYQSLACU-UHFFFAOYSA-N 2 1 337.471 3.097 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCOC2CCCCCC2)C1 ZINC000472276974 547952608 /nfs/dbraw/zinc/95/26/08/547952608.db2.gz OPDVZRLPAGGMRA-LJQANCHMSA-N 2 1 326.525 3.159 20 0 EGADMP CCOc1cccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000675883278 548996932 /nfs/dbraw/zinc/99/69/32/548996932.db2.gz ZHUIOZWJMXQYER-OXJNMPFZSA-N 2 1 332.488 3.379 20 0 EGADMP CCN1C[C@@H](C[N@H+](C)CCCCn2cc[nH+]c2C)Oc2ccccc21 ZINC000678074088 549391221 /nfs/dbraw/zinc/39/12/21/549391221.db2.gz RRIGWNACELGFFB-GOSISDBHSA-N 2 1 342.487 3.191 20 0 EGADMP CCN1C[C@@H](C[N@@H+](C)CCCCn2cc[nH+]c2C)Oc2ccccc21 ZINC000678074088 549391224 /nfs/dbraw/zinc/39/12/24/549391224.db2.gz RRIGWNACELGFFB-GOSISDBHSA-N 2 1 342.487 3.191 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000678278932 549456924 /nfs/dbraw/zinc/45/69/24/549456924.db2.gz HAGQQADVWCRFCH-GOSISDBHSA-N 2 1 342.487 3.392 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000678278932 549456928 /nfs/dbraw/zinc/45/69/28/549456928.db2.gz HAGQQADVWCRFCH-GOSISDBHSA-N 2 1 342.487 3.392 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000678278932 549456931 /nfs/dbraw/zinc/45/69/31/549456931.db2.gz HAGQQADVWCRFCH-GOSISDBHSA-N 2 1 342.487 3.392 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000678278932 549456936 /nfs/dbraw/zinc/45/69/36/549456936.db2.gz HAGQQADVWCRFCH-GOSISDBHSA-N 2 1 342.487 3.392 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(OC)c2)C1 ZINC000678281744 549457481 /nfs/dbraw/zinc/45/74/81/549457481.db2.gz BQHVIUWUBSWTNE-INIZCTEOSA-N 2 1 342.487 3.249 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(OC)c2)C1 ZINC000678281744 549457486 /nfs/dbraw/zinc/45/74/86/549457486.db2.gz BQHVIUWUBSWTNE-INIZCTEOSA-N 2 1 342.487 3.249 20 0 EGADMP CCc1nn(C)cc1C[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000678853940 549579636 /nfs/dbraw/zinc/57/96/36/549579636.db2.gz UAAQCHGDRUWJST-UHFFFAOYSA-N 2 1 332.536 3.317 20 0 EGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000682674775 550129710 /nfs/dbraw/zinc/12/97/10/550129710.db2.gz RZJNBJQCSJHQKY-FCHUYYIVSA-N 2 1 338.495 3.010 20 0 EGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000682674775 550129711 /nfs/dbraw/zinc/12/97/11/550129711.db2.gz RZJNBJQCSJHQKY-FCHUYYIVSA-N 2 1 338.495 3.010 20 0 EGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000682674776 550129900 /nfs/dbraw/zinc/12/99/00/550129900.db2.gz RZJNBJQCSJHQKY-FGZHOGPDSA-N 2 1 338.495 3.010 20 0 EGADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000682674776 550129903 /nfs/dbraw/zinc/12/99/03/550129903.db2.gz RZJNBJQCSJHQKY-FGZHOGPDSA-N 2 1 338.495 3.010 20 0 EGADMP COCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC[C@H](C)C1 ZINC000683001376 550177055 /nfs/dbraw/zinc/17/70/55/550177055.db2.gz UBWRKTOQQZRGAL-HKUYNNGSSA-N 2 1 334.504 3.264 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC000684553366 550341884 /nfs/dbraw/zinc/34/18/84/550341884.db2.gz FVLIRNSTCWJGLL-YCXXCVGLSA-N 2 1 330.472 3.296 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC000684553366 550341886 /nfs/dbraw/zinc/34/18/86/550341886.db2.gz FVLIRNSTCWJGLL-YCXXCVGLSA-N 2 1 330.472 3.296 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(N(C)C)nc1 ZINC000685456439 550418255 /nfs/dbraw/zinc/41/82/55/550418255.db2.gz NDMKONRYWJASGL-UHFFFAOYSA-N 2 1 326.488 3.231 20 0 EGADMP CCOC1CC([N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000685472328 550422110 /nfs/dbraw/zinc/42/21/10/550422110.db2.gz FCIHTZVTCVPOHC-UHFFFAOYSA-N 2 1 332.488 3.161 20 0 EGADMP Cc1ccc(-n2cc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)c(C(C)(C)C)n2)cc1 ZINC000678342687 576167197 /nfs/dbraw/zinc/16/71/97/576167197.db2.gz CSBFXVARIVFVTM-IAGOWNOFSA-N 2 1 338.499 3.129 20 0 EGADMP C[N@H+](C[C@@H](O)c1ccccc1C(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000741252591 576668882 /nfs/dbraw/zinc/66/88/82/576668882.db2.gz RBFJPDYQMVVVJL-XJKSGUPXSA-N 2 1 330.394 3.012 20 0 EGADMP C[N@@H+](C[C@@H](O)c1ccccc1C(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000741252591 576668884 /nfs/dbraw/zinc/66/88/84/576668884.db2.gz RBFJPDYQMVVVJL-XJKSGUPXSA-N 2 1 330.394 3.012 20 0 EGADMP C[NH+](C[C@@H](O)c1ccccc1C(F)(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000741252591 576668886 /nfs/dbraw/zinc/66/88/86/576668886.db2.gz RBFJPDYQMVVVJL-XJKSGUPXSA-N 2 1 330.394 3.012 20 0 EGADMP C[NH+](C[C@@H](O)c1ccccc1C(F)(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000741252591 576668888 /nfs/dbraw/zinc/66/88/88/576668888.db2.gz RBFJPDYQMVVVJL-XJKSGUPXSA-N 2 1 330.394 3.012 20 0 EGADMP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000743869411 576817872 /nfs/dbraw/zinc/81/78/72/576817872.db2.gz RFUHXMVEBOBONW-VQTJNVASSA-N 2 1 336.495 3.171 20 0 EGADMP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000743869411 576817873 /nfs/dbraw/zinc/81/78/73/576817873.db2.gz RFUHXMVEBOBONW-VQTJNVASSA-N 2 1 336.495 3.171 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000305892637 1297064961 /nfs/dbraw/zinc/06/49/61/1297064961.db2.gz FHPWFOGADCKQJQ-INIZCTEOSA-N 2 1 341.540 3.342 20 0 EGADMP CCC[N@H+](CC)CC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000379438142 1297533265 /nfs/dbraw/zinc/53/32/65/1297533265.db2.gz MSYLOCQWSSQEIZ-UHFFFAOYSA-N 2 1 347.503 3.109 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000379438142 1297533273 /nfs/dbraw/zinc/53/32/73/1297533273.db2.gz MSYLOCQWSSQEIZ-UHFFFAOYSA-N 2 1 347.503 3.109 20 0 EGADMP [NH3+]CCCCCCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000688927208 1298123293 /nfs/dbraw/zinc/12/32/93/1298123293.db2.gz PXCPLILCDOMHGX-IBGZPJMESA-N 2 1 331.504 3.067 20 0 EGADMP CC1(C)[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)[C@@H]2CCC[NH2+][C@H]21 ZINC000693698134 1298150793 /nfs/dbraw/zinc/15/07/93/1298150793.db2.gz TWQRCQVVVYRPIK-VAMGGRTRSA-N 2 1 327.516 3.017 20 0 EGADMP c1cc(COc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2)ccn1 ZINC000067693918 1292169295 /nfs/dbraw/zinc/16/92/95/1292169295.db2.gz RAVOKBSNRLJOJH-NHCUHLMSSA-N 2 1 337.467 3.377 20 0 EGADMP c1cc(COc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)cc2)ccn1 ZINC000067693918 1292169300 /nfs/dbraw/zinc/16/93/00/1292169300.db2.gz RAVOKBSNRLJOJH-NHCUHLMSSA-N 2 1 337.467 3.377 20 0 EGADMP COc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc(Cl)c1OC ZINC000069751909 1292249210 /nfs/dbraw/zinc/24/92/10/1292249210.db2.gz PDQATRZHBOJAIG-CYBMUJFWSA-N 2 1 326.868 3.179 20 0 EGADMP Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c(C)c1 ZINC000069785292 1292251715 /nfs/dbraw/zinc/25/17/15/1292251715.db2.gz CVUCDBZPNQUEFF-UHFFFAOYSA-N 2 1 337.511 3.341 20 0 EGADMP C[C@@H](C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1)C[NH+]1CCCC1 ZINC000075818763 1292412705 /nfs/dbraw/zinc/41/27/05/1292412705.db2.gz SYMOOBBFEQFCTA-INIZCTEOSA-N 2 1 346.906 3.406 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000077434974 1292464971 /nfs/dbraw/zinc/46/49/71/1292464971.db2.gz ZUELFCGUAJXTFY-MRXNPFEDSA-N 2 1 326.488 3.311 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000078047888 1292493926 /nfs/dbraw/zinc/49/39/26/1292493926.db2.gz IEXKMQSEQMMWGA-INIZCTEOSA-N 2 1 339.524 3.048 20 0 EGADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)n1-c1ccccc1 ZINC000084021883 1292698909 /nfs/dbraw/zinc/69/89/09/1292698909.db2.gz DFSHSBPRNDGTMW-GOSISDBHSA-N 2 1 326.488 3.391 20 0 EGADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)n1-c1ccccc1 ZINC000084021883 1292698915 /nfs/dbraw/zinc/69/89/15/1292698915.db2.gz DFSHSBPRNDGTMW-GOSISDBHSA-N 2 1 326.488 3.391 20 0 EGADMP CC(C)c1noc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000089578586 1292772304 /nfs/dbraw/zinc/77/23/04/1292772304.db2.gz GDVAPQLNPKOFQJ-AEFFLSMTSA-N 2 1 342.487 3.378 20 0 EGADMP CC(C)c1noc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000089578586 1292772309 /nfs/dbraw/zinc/77/23/09/1292772309.db2.gz GDVAPQLNPKOFQJ-AEFFLSMTSA-N 2 1 342.487 3.378 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000093844594 1292935534 /nfs/dbraw/zinc/93/55/34/1292935534.db2.gz GIJNHNDBVNPPKH-OAHLLOKOSA-N 2 1 349.544 3.324 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2cccs2)C1 ZINC000093963680 1292938757 /nfs/dbraw/zinc/93/87/57/1292938757.db2.gz DCEUKKRCMSPUBX-HNNXBMFYSA-N 2 1 332.517 3.359 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1O ZINC000103173841 1292997016 /nfs/dbraw/zinc/99/70/16/1292997016.db2.gz SYGSWHZMAVOHHE-IBGZPJMESA-N 2 1 340.467 3.055 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1O ZINC000103173841 1292997027 /nfs/dbraw/zinc/99/70/27/1292997027.db2.gz SYGSWHZMAVOHHE-IBGZPJMESA-N 2 1 340.467 3.055 20 0 EGADMP CC(=O)N1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000109068642 1293086497 /nfs/dbraw/zinc/08/64/97/1293086497.db2.gz WGUZWUYPCYSXRL-QGZVFWFLSA-N 2 1 343.515 3.162 20 0 EGADMP CC(=O)N1CCC([NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000109068224 1293086631 /nfs/dbraw/zinc/08/66/31/1293086631.db2.gz BTOGTVZTQMOMNL-KRWDZBQOSA-N 2 1 343.515 3.019 20 0 EGADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000112709800 1293131510 /nfs/dbraw/zinc/13/15/10/1293131510.db2.gz QSPRUYXCFJEGND-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1nc(Br)cs1 ZINC000834908108 1293173055 /nfs/dbraw/zinc/17/30/55/1293173055.db2.gz GXGMNLYRLDQHOC-SNVBAGLBSA-N 2 1 332.311 3.431 20 0 EGADMP CCOC(C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)OCC ZINC000125325261 1293503885 /nfs/dbraw/zinc/50/38/85/1293503885.db2.gz RTLTXZBOYAMYGZ-UHFFFAOYSA-N 2 1 335.492 3.019 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000130723748 1293667315 /nfs/dbraw/zinc/66/73/15/1293667315.db2.gz ZILXDBMYRRTDGV-DLBZAZTESA-N 2 1 339.524 3.240 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(OC)c(OC)cc2SC)C1 ZINC000153750576 1294027580 /nfs/dbraw/zinc/02/75/80/1294027580.db2.gz GABCDYWDDRIOHX-CQSZACIVSA-N 2 1 338.517 3.247 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(OC)c(OC)cc2SC)C1 ZINC000153750576 1294027586 /nfs/dbraw/zinc/02/75/86/1294027586.db2.gz GABCDYWDDRIOHX-CQSZACIVSA-N 2 1 338.517 3.247 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000156615970 1294150784 /nfs/dbraw/zinc/15/07/84/1294150784.db2.gz GDKHLSQLBOMNFJ-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000156615970 1294150788 /nfs/dbraw/zinc/15/07/88/1294150788.db2.gz GDKHLSQLBOMNFJ-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000156615970 1294150794 /nfs/dbraw/zinc/15/07/94/1294150794.db2.gz GDKHLSQLBOMNFJ-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)N(CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC000166513127 1294363056 /nfs/dbraw/zinc/36/30/56/1294363056.db2.gz XUMPNYZPONHSJC-IAGOWNOFSA-N 2 1 339.524 3.238 20 0 EGADMP Cc1ccc([C@@H](O)CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000174397116 1294498884 /nfs/dbraw/zinc/49/88/84/1294498884.db2.gz LTSLSKRBJSYJMF-UNMCSNQZSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1ccc([C@@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000174397116 1294498889 /nfs/dbraw/zinc/49/88/89/1294498889.db2.gz LTSLSKRBJSYJMF-UNMCSNQZSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1ccc([C@@H](O)C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000174397116 1294498897 /nfs/dbraw/zinc/49/88/97/1294498897.db2.gz LTSLSKRBJSYJMF-UNMCSNQZSA-N 2 1 338.495 3.482 20 0 EGADMP C[N@@H+](CC1CC[NH2+]CC1)CC1(c2ccc(Br)cc2)CC1 ZINC000178974912 1294765764 /nfs/dbraw/zinc/76/57/64/1294765764.db2.gz CKASMGNQIHHUKY-UHFFFAOYSA-N 2 1 337.305 3.412 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184229639 1295180702 /nfs/dbraw/zinc/18/07/02/1295180702.db2.gz BCBISTKOWPENSQ-OALUTQOASA-N 2 1 349.563 3.399 20 0 EGADMP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000192682180 1295788580 /nfs/dbraw/zinc/78/85/80/1295788580.db2.gz YQNRXANFAAVBDW-INIZCTEOSA-N 2 1 347.503 3.154 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H]1CNC(=O)OC(C)(C)C ZINC000245572214 1296315389 /nfs/dbraw/zinc/31/53/89/1296315389.db2.gz GWSYAKVIPGSCAJ-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H]1CNC(=O)OC(C)(C)C ZINC000245572214 1296315400 /nfs/dbraw/zinc/31/54/00/1296315400.db2.gz GWSYAKVIPGSCAJ-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H]1CNC(=O)OC(C)(C)C ZINC000245572214 1296315412 /nfs/dbraw/zinc/31/54/12/1296315412.db2.gz GWSYAKVIPGSCAJ-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP CC1(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)OCCO1 ZINC000248894001 1296432056 /nfs/dbraw/zinc/43/20/56/1296432056.db2.gz UKKGWCRPBCYURK-VAMGGRTRSA-N 2 1 344.499 3.030 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1)c1cccc2ccccc21 ZINC000261674201 1296598013 /nfs/dbraw/zinc/59/80/13/1296598013.db2.gz JJAWKTJSRSMCOB-QYWGDWMGSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1)c1cccc2ccccc21 ZINC000261674201 1296598017 /nfs/dbraw/zinc/59/80/17/1296598017.db2.gz JJAWKTJSRSMCOB-QYWGDWMGSA-N 2 1 339.483 3.076 20 0 EGADMP c1ccc(OCc2cccnc2)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261923474 1296608131 /nfs/dbraw/zinc/60/81/31/1296608131.db2.gz BYEKSRUKCCPWND-UHFFFAOYSA-N 2 1 337.467 3.236 20 0 EGADMP c1ccc(COc2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2)nc1 ZINC000262064770 1296617650 /nfs/dbraw/zinc/61/76/50/1296617650.db2.gz RNNSHPMTGBMSSE-UHFFFAOYSA-N 2 1 337.467 3.236 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CCCC2 ZINC000872035868 1296684218 /nfs/dbraw/zinc/68/42/18/1296684218.db2.gz NWYIODVHISSASJ-QAPCUYQASA-N 2 1 332.488 3.403 20 0 EGADMP CC[N@H+]1CC[C@H](CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000264071725 1296691964 /nfs/dbraw/zinc/69/19/64/1296691964.db2.gz DKPIWCHGVMKCGM-VXGBXAGGSA-N 2 1 343.302 3.301 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000300369602 1296781281 /nfs/dbraw/zinc/78/12/81/1296781281.db2.gz YTGYBWYODWCOCD-HRCADAONSA-N 2 1 327.513 3.142 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000300369602 1296781289 /nfs/dbraw/zinc/78/12/89/1296781289.db2.gz YTGYBWYODWCOCD-HRCADAONSA-N 2 1 327.513 3.142 20 0 EGADMP CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857188794 1328524278 /nfs/dbraw/zinc/52/42/78/1328524278.db2.gz RYCCRFRPFLDELN-IBGZPJMESA-N 2 1 343.515 3.052 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000305147410 1296985356 /nfs/dbraw/zinc/98/53/56/1296985356.db2.gz KJLJBNUFSWBMCE-IXDOHACOSA-N 2 1 341.540 3.484 20 0 EGADMP Cc1nc2ccccn2c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000310693274 1297100399 /nfs/dbraw/zinc/10/03/99/1297100399.db2.gz OPICRJATRQRFPK-UHFFFAOYSA-N 2 1 334.467 3.397 20 0 EGADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000311199341 1297106189 /nfs/dbraw/zinc/10/61/89/1297106189.db2.gz JRUVVWLNRSVPTO-OXQOHEQNSA-N 2 1 346.421 3.110 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000320808172 1297171338 /nfs/dbraw/zinc/17/13/38/1297171338.db2.gz WTGUFJLPRKLZCN-CJNGLKHVSA-N 2 1 330.394 3.059 20 0 EGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Br)cn1 ZINC000873262306 1297396501 /nfs/dbraw/zinc/39/65/01/1297396501.db2.gz LPNFALSWCWPRTQ-GXTWGEPZSA-N 2 1 326.282 3.245 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3nccn3C)C2)cc1C ZINC000365664079 1297508509 /nfs/dbraw/zinc/50/85/09/1297508509.db2.gz PASDGHVWPOMNAV-IRXDYDNUSA-N 2 1 340.471 3.244 20 0 EGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000387628036 1297598770 /nfs/dbraw/zinc/59/87/70/1297598770.db2.gz DPORHZJPMAKYJA-RXVVDRJESA-N 2 1 345.531 3.039 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000391872007 1297647553 /nfs/dbraw/zinc/64/75/53/1297647553.db2.gz UVIFOYUFBVJKTR-HYVNUMGLSA-N 2 1 342.405 3.155 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000391872007 1297647562 /nfs/dbraw/zinc/64/75/62/1297647562.db2.gz UVIFOYUFBVJKTR-HYVNUMGLSA-N 2 1 342.405 3.155 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000391872007 1297647568 /nfs/dbraw/zinc/64/75/68/1297647568.db2.gz UVIFOYUFBVJKTR-HYVNUMGLSA-N 2 1 342.405 3.155 20 0 EGADMP CCCC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000404518644 1297755399 /nfs/dbraw/zinc/75/53/99/1297755399.db2.gz URAHURMOWARMEL-FAJBIJEISA-N 2 1 331.504 3.014 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000693860825 1298152946 /nfs/dbraw/zinc/15/29/46/1298152946.db2.gz GPSSXXNMHKZLRQ-HZPDHXFCSA-N 2 1 339.524 3.238 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700804798 1298180488 /nfs/dbraw/zinc/18/04/88/1298180488.db2.gz RFQSSEQEKHUTBR-SJORKVTESA-N 2 1 341.540 3.391 20 0 EGADMP C[NH+](C)CCCCCCCNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000746958507 1298695620 /nfs/dbraw/zinc/69/56/20/1298695620.db2.gz OZGHCVYJKIKYKV-UHFFFAOYSA-N 2 1 340.556 3.014 20 0 EGADMP CCC(CC)(CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000877069847 1299143771 /nfs/dbraw/zinc/14/37/71/1299143771.db2.gz HMAFRKRHYNRHKM-CVEARBPZSA-N 2 1 341.540 3.390 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877452993 1299311028 /nfs/dbraw/zinc/31/10/28/1299311028.db2.gz UYFWGQIWMBNCKR-SFNKJDCFSA-N 2 1 335.536 3.005 20 0 EGADMP C[NH+](C)CCC[N@H+](C)Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000877521769 1299364211 /nfs/dbraw/zinc/36/42/11/1299364211.db2.gz CZBYMADNNLXXKX-UHFFFAOYSA-N 2 1 335.492 3.095 20 0 EGADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000877521769 1299364220 /nfs/dbraw/zinc/36/42/20/1299364220.db2.gz CZBYMADNNLXXKX-UHFFFAOYSA-N 2 1 335.492 3.095 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000877584458 1299413275 /nfs/dbraw/zinc/41/32/75/1299413275.db2.gz GBATVQGAAMXPLS-MRXNPFEDSA-N 2 1 339.524 3.003 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1cccc(C)c1 ZINC000751012503 1299497045 /nfs/dbraw/zinc/49/70/45/1299497045.db2.gz VHAAURBUYWFUQI-GOSISDBHSA-N 2 1 348.560 3.040 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(OCc4cccnc4)cc3)CC[C@@H]21 ZINC000877741747 1299518540 /nfs/dbraw/zinc/51/85/40/1299518540.db2.gz BEPBTFAGSQTCBE-FPOVZHCZSA-N 2 1 337.467 3.187 20 0 EGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(OCc4cccnc4)cc3)CC[C@@H]21 ZINC000877741747 1299518549 /nfs/dbraw/zinc/51/85/49/1299518549.db2.gz BEPBTFAGSQTCBE-FPOVZHCZSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(OCc4cccnc4)cc3)CC[C@@H]21 ZINC000877741747 1299518553 /nfs/dbraw/zinc/51/85/53/1299518553.db2.gz BEPBTFAGSQTCBE-FPOVZHCZSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(OCc4cccnc4)cc3)CC[C@@H]21 ZINC000877741747 1299518561 /nfs/dbraw/zinc/51/85/61/1299518561.db2.gz BEPBTFAGSQTCBE-FPOVZHCZSA-N 2 1 337.467 3.187 20 0 EGADMP COc1cc(C)c([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1C ZINC000753654256 1300000835 /nfs/dbraw/zinc/00/08/35/1300000835.db2.gz NIVRFOJWOMZFJA-GOSISDBHSA-N 2 1 347.547 3.236 20 0 EGADMP O[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000754795792 1300217460 /nfs/dbraw/zinc/21/74/60/1300217460.db2.gz OVXOODPSCPENFS-DVOMOZLQSA-N 2 1 329.271 3.243 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000754795792 1300217466 /nfs/dbraw/zinc/21/74/66/1300217466.db2.gz OVXOODPSCPENFS-DVOMOZLQSA-N 2 1 329.271 3.243 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000754795792 1300217474 /nfs/dbraw/zinc/21/74/74/1300217474.db2.gz OVXOODPSCPENFS-DVOMOZLQSA-N 2 1 329.271 3.243 20 0 EGADMP COC[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(Br)c1 ZINC000879662737 1300660374 /nfs/dbraw/zinc/66/03/74/1300660374.db2.gz JZINJSIGXQIWGO-CVEARBPZSA-N 2 1 341.293 3.211 20 0 EGADMP COC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(Br)c1 ZINC000879662737 1300660377 /nfs/dbraw/zinc/66/03/77/1300660377.db2.gz JZINJSIGXQIWGO-CVEARBPZSA-N 2 1 341.293 3.211 20 0 EGADMP CC1([NH+]2CCC2)CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000880472631 1301136131 /nfs/dbraw/zinc/13/61/31/1301136131.db2.gz WFYIFLMDYWBKLX-UHFFFAOYSA-N 2 1 335.879 3.229 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H](O)c1ccc(F)cc1F ZINC000880516840 1301144018 /nfs/dbraw/zinc/14/40/18/1301144018.db2.gz ACDSSGSEDJFMMR-SFHVURJKSA-N 2 1 326.431 3.196 20 0 EGADMP CCCCCCNC(=O)[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000760832147 1301345728 /nfs/dbraw/zinc/34/57/28/1301345728.db2.gz VSUKWXOHARYYTR-OALUTQOASA-N 2 1 337.552 3.269 20 0 EGADMP CCCCCCNC(=O)[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000760832147 1301345739 /nfs/dbraw/zinc/34/57/39/1301345739.db2.gz VSUKWXOHARYYTR-OALUTQOASA-N 2 1 337.552 3.269 20 0 EGADMP CCCCCCNC(=O)[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000760832147 1301345751 /nfs/dbraw/zinc/34/57/51/1301345751.db2.gz VSUKWXOHARYYTR-OALUTQOASA-N 2 1 337.552 3.269 20 0 EGADMP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000760830157 1301346319 /nfs/dbraw/zinc/34/63/19/1301346319.db2.gz FTJRHMSLIPHZDX-IRXDYDNUSA-N 2 1 339.524 3.192 20 0 EGADMP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000760830157 1301346328 /nfs/dbraw/zinc/34/63/28/1301346328.db2.gz FTJRHMSLIPHZDX-IRXDYDNUSA-N 2 1 339.524 3.192 20 0 EGADMP CN(C(=O)OC(C)(C)C)[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000760830157 1301346338 /nfs/dbraw/zinc/34/63/38/1301346338.db2.gz FTJRHMSLIPHZDX-IRXDYDNUSA-N 2 1 339.524 3.192 20 0 EGADMP CN(C(=O)OC(C)(C)C)[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000760830157 1301346350 /nfs/dbraw/zinc/34/63/50/1301346350.db2.gz FTJRHMSLIPHZDX-IRXDYDNUSA-N 2 1 339.524 3.192 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H](c2ccccc2)C2CCOCC2)CCCO1 ZINC000762646596 1301720976 /nfs/dbraw/zinc/72/09/76/1301720976.db2.gz AMUDCMIRQGHVSP-GHTZIAJQSA-N 2 1 346.515 3.245 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000763409891 1301897837 /nfs/dbraw/zinc/89/78/37/1301897837.db2.gz KHOGPIHNOWTOAE-YHELAOLJSA-N 2 1 348.531 3.225 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc2oc(=O)oc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000883084868 1302240444 /nfs/dbraw/zinc/24/04/44/1302240444.db2.gz CZJFTLUKPOMNQH-UKRRQHHQSA-N 2 1 330.428 3.129 20 0 EGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000765354317 1302251968 /nfs/dbraw/zinc/25/19/68/1302251968.db2.gz NFRAVNGSAUNWNP-HNNXBMFYSA-N 2 1 331.460 3.167 20 0 EGADMP COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000765630825 1302292017 /nfs/dbraw/zinc/29/20/17/1302292017.db2.gz ODUZOGIBMGBTCP-WMLDXEAASA-N 2 1 342.443 3.062 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc2c(c1)CCO2 ZINC000765974409 1302361175 /nfs/dbraw/zinc/36/11/75/1302361175.db2.gz HAIYXAFTUQZKBI-VQTJNVASSA-N 2 1 344.499 3.306 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000766248581 1302416287 /nfs/dbraw/zinc/41/62/87/1302416287.db2.gz KMIMLVPXWWTGDW-IBGZPJMESA-N 2 1 341.480 3.489 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000766248581 1302416296 /nfs/dbraw/zinc/41/62/96/1302416296.db2.gz KMIMLVPXWWTGDW-IBGZPJMESA-N 2 1 341.480 3.489 20 0 EGADMP c1ccc2c(c1)OC1(CCOCC1)C[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000883383633 1302424473 /nfs/dbraw/zinc/42/44/73/1302424473.db2.gz CLWHOKDREHLKLS-LMMKCTJWSA-N 2 1 342.483 3.276 20 0 EGADMP c1ccc2c(c1)OC1(CCOCC1)C[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883383633 1302424476 /nfs/dbraw/zinc/42/44/76/1302424476.db2.gz CLWHOKDREHLKLS-LMMKCTJWSA-N 2 1 342.483 3.276 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC3(CCOCC3)Oc3ccccc32)CC[N@@H+]1C ZINC000883383754 1302424707 /nfs/dbraw/zinc/42/47/07/1302424707.db2.gz FVMDPAXTLLYBCP-JFIYKMOQSA-N 2 1 330.472 3.132 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC3(CCOCC3)Oc3ccccc32)CC[N@H+]1C ZINC000883383754 1302424715 /nfs/dbraw/zinc/42/47/15/1302424715.db2.gz FVMDPAXTLLYBCP-JFIYKMOQSA-N 2 1 330.472 3.132 20 0 EGADMP CCOC(C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)OCC ZINC000767794313 1302763967 /nfs/dbraw/zinc/76/39/67/1302763967.db2.gz YBQFPXUHNSTIOD-NRFANRHFSA-N 2 1 346.515 3.374 20 0 EGADMP CCOC(C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)OCC ZINC000767794313 1302763974 /nfs/dbraw/zinc/76/39/74/1302763974.db2.gz YBQFPXUHNSTIOD-NRFANRHFSA-N 2 1 346.515 3.374 20 0 EGADMP CCOC(C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)OCC ZINC000767794313 1302763980 /nfs/dbraw/zinc/76/39/80/1302763980.db2.gz YBQFPXUHNSTIOD-NRFANRHFSA-N 2 1 346.515 3.374 20 0 EGADMP CCOC(C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)OCC ZINC000767794313 1302763983 /nfs/dbraw/zinc/76/39/83/1302763983.db2.gz YBQFPXUHNSTIOD-NRFANRHFSA-N 2 1 346.515 3.374 20 0 EGADMP CCOC(C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)OCC ZINC000767794314 1302764053 /nfs/dbraw/zinc/76/40/53/1302764053.db2.gz YBQFPXUHNSTIOD-OAQYLSRUSA-N 2 1 346.515 3.374 20 0 EGADMP CCOC(C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)OCC ZINC000767794314 1302764064 /nfs/dbraw/zinc/76/40/64/1302764064.db2.gz YBQFPXUHNSTIOD-OAQYLSRUSA-N 2 1 346.515 3.374 20 0 EGADMP CCOC(C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)OCC ZINC000767794314 1302764069 /nfs/dbraw/zinc/76/40/69/1302764069.db2.gz YBQFPXUHNSTIOD-OAQYLSRUSA-N 2 1 346.515 3.374 20 0 EGADMP CCOC(C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)OCC ZINC000767794314 1302764076 /nfs/dbraw/zinc/76/40/76/1302764076.db2.gz YBQFPXUHNSTIOD-OAQYLSRUSA-N 2 1 346.515 3.374 20 0 EGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)CCCO2 ZINC000768106756 1302824744 /nfs/dbraw/zinc/82/47/44/1302824744.db2.gz VJZQDLMRYRHLCH-VQTJNVASSA-N 2 1 346.515 3.289 20 0 EGADMP C[C@H]([NH2+]CCO[C@H]1CCCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000769785525 1303174043 /nfs/dbraw/zinc/17/40/43/1303174043.db2.gz CSKITRLPCACBGH-IHPCNDPISA-N 2 1 332.488 3.030 20 0 EGADMP C([NH2+][C@H]1CCOC2(CCOCC2)C1)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000886104493 1303355105 /nfs/dbraw/zinc/35/51/05/1303355105.db2.gz DGTRVSGNFRHQRC-HKUYNNGSSA-N 2 1 336.520 3.101 20 0 EGADMP CO[C@@H](Cc1ccccc1)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886661160 1303542737 /nfs/dbraw/zinc/54/27/37/1303542737.db2.gz OBIDVYPPUFJDRS-IBGZPJMESA-N 2 1 327.472 3.464 20 0 EGADMP C[C@@H]1C[C@H](NCC(=O)Nc2cc(Cl)ccc2Cl)CC[N@H+]1C ZINC000772951955 1303597308 /nfs/dbraw/zinc/59/73/08/1303597308.db2.gz PUHUSYKKPYZJEB-ZYHUDNBSSA-N 2 1 330.259 3.004 20 0 EGADMP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886871783 1303620925 /nfs/dbraw/zinc/62/09/25/1303620925.db2.gz AWNAKCJCWKSWNS-NRFANRHFSA-N 2 1 343.515 3.038 20 0 EGADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886871783 1303620929 /nfs/dbraw/zinc/62/09/29/1303620929.db2.gz AWNAKCJCWKSWNS-NRFANRHFSA-N 2 1 343.515 3.038 20 0 EGADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870010 1303621406 /nfs/dbraw/zinc/62/14/06/1303621406.db2.gz NKOWWQAMMBNXEA-BBTUJRGHSA-N 2 1 343.515 3.026 20 0 EGADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870010 1303621410 /nfs/dbraw/zinc/62/14/10/1303621410.db2.gz NKOWWQAMMBNXEA-BBTUJRGHSA-N 2 1 343.515 3.026 20 0 EGADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870013 1303621613 /nfs/dbraw/zinc/62/16/13/1303621613.db2.gz NKOWWQAMMBNXEA-WFXMLNOXSA-N 2 1 343.515 3.026 20 0 EGADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870013 1303621619 /nfs/dbraw/zinc/62/16/19/1303621619.db2.gz NKOWWQAMMBNXEA-WFXMLNOXSA-N 2 1 343.515 3.026 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000886870332 1303621649 /nfs/dbraw/zinc/62/16/49/1303621649.db2.gz WFZANVMUGSMDDV-SFHVURJKSA-N 2 1 335.879 3.134 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cn1 ZINC000775376122 1303948608 /nfs/dbraw/zinc/94/86/08/1303948608.db2.gz ONSHPYQCKBCFRD-VYDXJSESSA-N 2 1 346.525 3.045 20 0 EGADMP CCCCCCNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000775686707 1304015740 /nfs/dbraw/zinc/01/57/40/1304015740.db2.gz JBGNZPOPBLUKLA-QUCCMNQESA-N 2 1 345.531 3.183 20 0 EGADMP CCCCCCNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000775686707 1304015744 /nfs/dbraw/zinc/01/57/44/1304015744.db2.gz JBGNZPOPBLUKLA-QUCCMNQESA-N 2 1 345.531 3.183 20 0 EGADMP Cc1cnc2cc(C(=O)N3C[C@H]4CCC[N@H+]4Cc4ccccc43)ccn12 ZINC000888283026 1304098800 /nfs/dbraw/zinc/09/88/00/1304098800.db2.gz HDMIOPNEIOTZJM-GOSISDBHSA-N 2 1 346.434 3.268 20 0 EGADMP C[C@@H]1C[C@@H](Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000776856210 1304212604 /nfs/dbraw/zinc/21/26/04/1304212604.db2.gz ONOTTWJWGHIGOY-AEFFLSMTSA-N 2 1 330.520 3.112 20 0 EGADMP CC[NH+](CC)CCOc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000777656803 1304331113 /nfs/dbraw/zinc/33/11/13/1304331113.db2.gz LHKKGAZLGDHFCO-WMZOPIPTSA-N 2 1 349.519 3.310 20 0 EGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000779015384 1304518233 /nfs/dbraw/zinc/51/82/33/1304518233.db2.gz UTWPRJVSJCRTFW-GVDBMIGSSA-N 2 1 339.524 3.144 20 0 EGADMP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000779056075 1304523873 /nfs/dbraw/zinc/52/38/73/1304523873.db2.gz VLIZLPYNVWFPKV-LMMKCTJWSA-N 2 1 334.529 3.256 20 0 EGADMP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000779056075 1304523876 /nfs/dbraw/zinc/52/38/76/1304523876.db2.gz VLIZLPYNVWFPKV-LMMKCTJWSA-N 2 1 334.529 3.256 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H]2CCc3ccccc32)CC1 ZINC000780285410 1304671663 /nfs/dbraw/zinc/67/16/63/1304671663.db2.gz JJRHGOIZVNNRFP-SVFBPWRDSA-N 2 1 341.543 3.207 20 0 EGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000781921370 1304891244 /nfs/dbraw/zinc/89/12/44/1304891244.db2.gz CGJNBPPDKNFINK-UNMCSNQZSA-N 2 1 336.479 3.339 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000781976194 1304898370 /nfs/dbraw/zinc/89/83/70/1304898370.db2.gz NRSOEKMGMHDNSD-MRXNPFEDSA-N 2 1 339.524 3.240 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000785434053 1305350847 /nfs/dbraw/zinc/35/08/47/1305350847.db2.gz OJJBLMBVLVVSGN-UZLBHIALSA-N 2 1 342.487 3.088 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](CN2C[C@@H](CC(C)(C)C)OC2=O)CC1 ZINC000785502048 1305366818 /nfs/dbraw/zinc/36/68/18/1305366818.db2.gz RROZOPPEYGDODS-QGZVFWFLSA-N 2 1 339.524 3.253 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C[C@@H](CC(C)(C)C)OC2=O)CC1 ZINC000785502048 1305366827 /nfs/dbraw/zinc/36/68/27/1305366827.db2.gz RROZOPPEYGDODS-QGZVFWFLSA-N 2 1 339.524 3.253 20 0 EGADMP Cc1nccn1-c1ccc(CNCc2cnn(C)c2C2CC2)cc1F ZINC000892677091 1305501804 /nfs/dbraw/zinc/50/18/04/1305501804.db2.gz VFYQZWUXRUZKAE-UHFFFAOYSA-N 2 1 339.418 3.221 20 0 EGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C)C1CC1 ZINC000788242241 1305903811 /nfs/dbraw/zinc/90/38/11/1305903811.db2.gz BBJASKLYYOMSGM-IXDOHACOSA-N 2 1 339.524 3.142 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000894312590 1306337007 /nfs/dbraw/zinc/33/70/07/1306337007.db2.gz LSJIHEMVBPRBDN-CABCVRRESA-N 2 1 343.471 3.225 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000894312590 1306337019 /nfs/dbraw/zinc/33/70/19/1306337019.db2.gz LSJIHEMVBPRBDN-CABCVRRESA-N 2 1 343.471 3.225 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]CCO[C@@H]3CCCCO3)CC[N@@H+]2C2CC2)cc1 ZINC000894794333 1309074387 /nfs/dbraw/zinc/07/43/87/1309074387.db2.gz OEFPJRLANYQZRV-HLAWJBBLSA-N 2 1 344.499 3.487 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]CCO[C@@H]3CCCCO3)CC[N@H+]2C2CC2)cc1 ZINC000894794333 1309074396 /nfs/dbraw/zinc/07/43/96/1309074396.db2.gz OEFPJRLANYQZRV-HLAWJBBLSA-N 2 1 344.499 3.487 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)C2)cc1 ZINC000793207690 1309317553 /nfs/dbraw/zinc/31/75/53/1309317553.db2.gz RIZXEEAOYNEREL-YRXWBPOGSA-N 2 1 348.581 3.478 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@@H]2CC(c3ccc(C)c(C)c3)=NO2)CC1 ZINC000895499302 1309374834 /nfs/dbraw/zinc/37/48/34/1309374834.db2.gz WIVSRRJZKIPEIG-IBGZPJMESA-N 2 1 329.488 3.260 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C)nc1C1CC1 ZINC000895693993 1309469560 /nfs/dbraw/zinc/46/95/60/1309469560.db2.gz OMOOGXYVVMEUMT-VQIMIIECSA-N 2 1 338.499 3.155 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000896870760 1310060007 /nfs/dbraw/zinc/06/00/07/1310060007.db2.gz MDUCEOWBYAFWEZ-NZSAHSFTSA-N 2 1 343.515 3.029 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000797111359 1310143279 /nfs/dbraw/zinc/14/32/79/1310143279.db2.gz BWMZWAMYNIWJCC-ULQDDVLXSA-N 2 1 339.524 3.144 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000797111359 1310143287 /nfs/dbraw/zinc/14/32/87/1310143287.db2.gz BWMZWAMYNIWJCC-ULQDDVLXSA-N 2 1 339.524 3.144 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)nc(Cl)c2)[C@@H](C)C1 ZINC000797600436 1310219503 /nfs/dbraw/zinc/21/95/03/1310219503.db2.gz UKPJZCZMCSFDOS-WMLDXEAASA-N 2 1 339.911 3.270 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)nc(Cl)c2)[C@@H](C)C1 ZINC000797600436 1310219508 /nfs/dbraw/zinc/21/95/08/1310219508.db2.gz UKPJZCZMCSFDOS-WMLDXEAASA-N 2 1 339.911 3.270 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ncccc3C(F)(F)F)C2)CC1 ZINC000798957095 1310463841 /nfs/dbraw/zinc/46/38/41/1310463841.db2.gz NNUZLKUAOWEEMZ-UHFFFAOYSA-N 2 1 327.394 3.408 20 0 EGADMP Cc1ccccc1-c1noc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000799179290 1310499945 /nfs/dbraw/zinc/49/99/45/1310499945.db2.gz HYQSYTASJCVTET-UHFFFAOYSA-N 2 1 340.471 3.353 20 0 EGADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177794 1310500783 /nfs/dbraw/zinc/50/07/83/1310500783.db2.gz VNZRRXNZYGRISK-SFHVURJKSA-N 2 1 343.515 3.014 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)c3ccc(Cl)c(F)c3)C2)CC1 ZINC000799179098 1310500920 /nfs/dbraw/zinc/50/09/20/1310500920.db2.gz CNEBJHZWNJWHHK-KRWDZBQOSA-N 2 1 340.870 3.320 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ncc(Cl)n2C)C[N@H+]1Cc1ccccc1 ZINC000799340157 1310529470 /nfs/dbraw/zinc/52/94/70/1310529470.db2.gz GUBBUJVXCHUDAV-NVXWUHKLSA-N 2 1 346.906 3.464 20 0 EGADMP O[C@H](CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000898204574 1310626421 /nfs/dbraw/zinc/62/64/21/1310626421.db2.gz WSRHGCZETOWMQT-PLACYPQZSA-N 2 1 328.500 3.038 20 0 EGADMP c1cncc([C@@H]2CCC[C@@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)c1 ZINC000800239538 1310710104 /nfs/dbraw/zinc/71/01/04/1310710104.db2.gz KAYWSBKZSYDBPK-DUXKGJEZSA-N 2 1 343.515 3.341 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824416772 1320255621 /nfs/dbraw/zinc/25/56/21/1320255621.db2.gz NQMKPTPRBSFGEE-ZACQAIPSSA-N 2 1 341.540 3.340 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824416772 1320255626 /nfs/dbraw/zinc/25/56/26/1320255626.db2.gz NQMKPTPRBSFGEE-ZACQAIPSSA-N 2 1 341.540 3.340 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001018961763 1316988115 /nfs/dbraw/zinc/98/81/15/1316988115.db2.gz RKVHGWVFESKGRQ-PMACEKPBSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001018968096 1316988890 /nfs/dbraw/zinc/98/88/90/1316988890.db2.gz UFBHPSRCRCJFHX-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@H]([NH2+]CC2CCCC2)C1 ZINC001019279560 1317143712 /nfs/dbraw/zinc/14/37/12/1317143712.db2.gz HWWJHAIAYLPDPW-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCCC2CCC2)CC1 ZINC000957283768 1317260247 /nfs/dbraw/zinc/26/02/47/1317260247.db2.gz DORVHOBTZHDJJU-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCCC2CCC2)CC1 ZINC000957283768 1317260254 /nfs/dbraw/zinc/26/02/54/1317260254.db2.gz DORVHOBTZHDJJU-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900530159 1317300245 /nfs/dbraw/zinc/30/02/45/1317300245.db2.gz VSTITPNQFXPILS-UXHICEINSA-N 2 1 343.515 3.114 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000957517539 1317420279 /nfs/dbraw/zinc/42/02/79/1317420279.db2.gz VPOVIEWTTXWYNZ-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1C[C@H]([NH+](C)Cc2cnc(N(C)C)c3ccccc23)CC[N@@H+]1C ZINC000929782965 1328700063 /nfs/dbraw/zinc/70/00/63/1328700063.db2.gz OEIXAWIYQYMJDU-DOTOQJQBSA-N 2 1 326.488 3.215 20 0 EGADMP C[C@H]1C[C@H]([NH+](C)Cc2cnc(N(C)C)c3ccccc23)CC[N@H+]1C ZINC000929782965 1328700066 /nfs/dbraw/zinc/70/00/66/1328700066.db2.gz OEIXAWIYQYMJDU-DOTOQJQBSA-N 2 1 326.488 3.215 20 0 EGADMP C[C@H]1C[C@H]([N@H+](C)Cc2cnc(N(C)C)c3ccccc23)CC[NH+]1C ZINC000929782965 1328700071 /nfs/dbraw/zinc/70/00/71/1328700071.db2.gz OEIXAWIYQYMJDU-DOTOQJQBSA-N 2 1 326.488 3.215 20 0 EGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc(N(C)C)c3ccccc23)CC[NH+]1C ZINC000929782965 1328700075 /nfs/dbraw/zinc/70/00/75/1328700075.db2.gz OEIXAWIYQYMJDU-DOTOQJQBSA-N 2 1 326.488 3.215 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)CC1 ZINC000957621058 1317501335 /nfs/dbraw/zinc/50/13/35/1317501335.db2.gz VPFATGDUPHBPGT-RBUKOAKNSA-N 2 1 347.547 3.118 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957644782 1317516536 /nfs/dbraw/zinc/51/65/36/1317516536.db2.gz HVAZFXAUUWRVAT-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1)c1ccccc1 ZINC001020174611 1317574567 /nfs/dbraw/zinc/57/45/67/1317574567.db2.gz JDQCRWNJUIVDTG-WKWVNEEDSA-N 2 1 343.515 3.105 20 0 EGADMP COc1cccc(-c2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)on2)c1 ZINC000902453216 1317580927 /nfs/dbraw/zinc/58/09/27/1317580927.db2.gz NTBXTKDHQOKYTP-GUDVDZBRSA-N 2 1 341.455 3.361 20 0 EGADMP CC[N@@H+](CC1CCC1)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000957744362 1317609651 /nfs/dbraw/zinc/60/96/51/1317609651.db2.gz HAKHFGDPJPYQMK-PXNSSMCTSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC1CCC1)CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000957744362 1317609655 /nfs/dbraw/zinc/60/96/55/1317609655.db2.gz HAKHFGDPJPYQMK-PXNSSMCTSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC1CCC1)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000957744362 1317609661 /nfs/dbraw/zinc/60/96/61/1317609661.db2.gz HAKHFGDPJPYQMK-PXNSSMCTSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001020297315 1317633106 /nfs/dbraw/zinc/63/31/06/1317633106.db2.gz HBWJHZAXIJCZJQ-XDKFSHSGSA-N 2 1 349.906 3.122 20 0 EGADMP CC[N@@H+](CC1CC1)CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000957773042 1317637507 /nfs/dbraw/zinc/63/75/07/1317637507.db2.gz WCMMNIZGVBHDQM-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[NH+]1CCC(C)CC1 ZINC000903067499 1317646760 /nfs/dbraw/zinc/64/67/60/1317646760.db2.gz SYTMVVAPRNPDDZ-VCYXJBJXSA-N 2 1 333.564 3.490 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000903071959 1317648391 /nfs/dbraw/zinc/64/83/91/1317648391.db2.gz HBEUJNMFRKKAED-HMZLUNFSSA-N 2 1 339.483 3.380 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc2c(c1)CC(=O)N2C ZINC000903089866 1317650714 /nfs/dbraw/zinc/65/07/14/1317650714.db2.gz UKPYEANWIZHMBP-HMZLUNFSSA-N 2 1 339.483 3.014 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001020339390 1317651935 /nfs/dbraw/zinc/65/19/35/1317651935.db2.gz NKLKQTCYSNLRMX-VAMGGRTRSA-N 2 1 347.547 3.234 20 0 EGADMP CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)ccc1OC ZINC000903098081 1317651951 /nfs/dbraw/zinc/65/19/51/1317651951.db2.gz XUGXICYIVJNBMJ-ZNXRZULTSA-N 2 1 330.472 3.341 20 0 EGADMP COc1ccccc1O[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903103763 1317652795 /nfs/dbraw/zinc/65/27/95/1317652795.db2.gz OCVILTSHXCTLHH-DUZACMNTSA-N 2 1 330.472 3.210 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H](c3ccccn3)C3CC3)CC2)nc(C)[nH+]1 ZINC000903106997 1317654898 /nfs/dbraw/zinc/65/48/98/1317654898.db2.gz KIOAWHDSWCROGU-FQEVSTJZSA-N 2 1 337.471 3.198 20 0 EGADMP CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000903117898 1317657330 /nfs/dbraw/zinc/65/73/30/1317657330.db2.gz NLBAEXUCJXIYFL-IWUPYOBGSA-N 2 1 330.516 3.379 20 0 EGADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000903147268 1317662294 /nfs/dbraw/zinc/66/22/94/1317662294.db2.gz GMKHLQCNOYZRLW-MZGGREPNSA-N 2 1 331.548 3.387 20 0 EGADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000903147268 1317662298 /nfs/dbraw/zinc/66/22/98/1317662298.db2.gz GMKHLQCNOYZRLW-MZGGREPNSA-N 2 1 331.548 3.387 20 0 EGADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000903147268 1317662303 /nfs/dbraw/zinc/66/23/03/1317662303.db2.gz GMKHLQCNOYZRLW-MZGGREPNSA-N 2 1 331.548 3.387 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000903147268 1317662309 /nfs/dbraw/zinc/66/23/09/1317662309.db2.gz GMKHLQCNOYZRLW-MZGGREPNSA-N 3 1 331.548 3.387 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000903147268 1317662314 /nfs/dbraw/zinc/66/23/14/1317662314.db2.gz GMKHLQCNOYZRLW-MZGGREPNSA-N 3 1 331.548 3.387 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000903147268 1317662319 /nfs/dbraw/zinc/66/23/19/1317662319.db2.gz GMKHLQCNOYZRLW-MZGGREPNSA-N 3 1 331.548 3.387 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000903147268 1317662323 /nfs/dbraw/zinc/66/23/23/1317662323.db2.gz GMKHLQCNOYZRLW-MZGGREPNSA-N 3 1 331.548 3.387 20 0 EGADMP C[NH+](C)C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(F)cc1 ZINC000903172251 1317667541 /nfs/dbraw/zinc/66/75/41/1317667541.db2.gz WGUSZMCHEGMWNA-ZNBHLAFESA-N 2 1 331.479 3.176 20 0 EGADMP C[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)OCCc2sccc21 ZINC000903171233 1317667964 /nfs/dbraw/zinc/66/79/64/1317667964.db2.gz FTCWLZMOEPVSTL-QGGWKKEGSA-N 2 1 332.513 3.283 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1OCCc2sccc21 ZINC000903174503 1317668219 /nfs/dbraw/zinc/66/82/19/1317668219.db2.gz KLRJYDHLIROOHY-YXLGVNFISA-N 2 1 332.513 3.498 20 0 EGADMP C[C@H](NCc1cc(N(C)C)cc[nH+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000903198270 1317672180 /nfs/dbraw/zinc/67/21/80/1317672180.db2.gz IEVKZJWZYHNFIN-HKUYNNGSSA-N 2 1 338.499 3.148 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000903201253 1317674083 /nfs/dbraw/zinc/67/40/83/1317674083.db2.gz HCGOGNFPCUUUFE-DYESRHJHSA-N 2 1 338.499 3.148 20 0 EGADMP CCOCCOCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000929842297 1328716553 /nfs/dbraw/zinc/71/65/53/1328716553.db2.gz CECCLHWXEUISAT-NHCUHLMSSA-N 2 1 346.515 3.026 20 0 EGADMP CCOCCOCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000929842297 1328716555 /nfs/dbraw/zinc/71/65/55/1328716555.db2.gz CECCLHWXEUISAT-NHCUHLMSSA-N 2 1 346.515 3.026 20 0 EGADMP CCOCCOCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000929842297 1328716558 /nfs/dbraw/zinc/71/65/58/1328716558.db2.gz CECCLHWXEUISAT-NHCUHLMSSA-N 2 1 346.515 3.026 20 0 EGADMP CCOCCOCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000929842297 1328716562 /nfs/dbraw/zinc/71/65/62/1328716562.db2.gz CECCLHWXEUISAT-NHCUHLMSSA-N 2 1 346.515 3.026 20 0 EGADMP CC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C)Cc1ccc(OC)cc1 ZINC000903723583 1317724313 /nfs/dbraw/zinc/72/43/13/1317724313.db2.gz IVQGYXZQXSJQGH-FXAWDEMLSA-N 2 1 346.515 3.107 20 0 EGADMP C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734054 1317727271 /nfs/dbraw/zinc/72/72/71/1317727271.db2.gz UGWYACTVTMGRMO-ZFWWWQNUSA-N 2 1 336.426 3.043 20 0 EGADMP C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734054 1317727276 /nfs/dbraw/zinc/72/72/76/1317727276.db2.gz UGWYACTVTMGRMO-ZFWWWQNUSA-N 2 1 336.426 3.043 20 0 EGADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000903900111 1317744664 /nfs/dbraw/zinc/74/46/64/1317744664.db2.gz YPUMZZHCMANDDM-QZTJIDSGSA-N 2 1 331.508 3.137 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@@H]([NH3+])CC(F)F ZINC000903921104 1317749575 /nfs/dbraw/zinc/74/95/75/1317749575.db2.gz NAUHTVKNFGKBPK-PBHICJAKSA-N 3 1 325.447 3.133 20 0 EGADMP Fc1ccc(Cn2cc(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000903959290 1317757173 /nfs/dbraw/zinc/75/71/73/1317757173.db2.gz DVYWPGGQUJJXAN-FQEVSTJZSA-N 2 1 342.462 3.036 20 0 EGADMP Fc1ccc(Cn2cc(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000903959290 1317757180 /nfs/dbraw/zinc/75/71/80/1317757180.db2.gz DVYWPGGQUJJXAN-FQEVSTJZSA-N 2 1 342.462 3.036 20 0 EGADMP Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)ccc1Cl ZINC000903980286 1317760632 /nfs/dbraw/zinc/76/06/32/1317760632.db2.gz NFDNQIRNUKHLBW-HDICACEKSA-N 2 1 333.907 3.049 20 0 EGADMP COc1cccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1OC1CCCC1 ZINC000904361055 1317836785 /nfs/dbraw/zinc/83/67/85/1317836785.db2.gz UDIJQVUBLDOBIA-FQEVSTJZSA-N 2 1 332.488 3.496 20 0 EGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000904404698 1317844026 /nfs/dbraw/zinc/84/40/26/1317844026.db2.gz CXLXDGLOWOLSIZ-WMLDXEAASA-N 2 1 338.879 3.069 20 0 EGADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)nc1)C[NH+]1CCCC1 ZINC000810210861 1317976644 /nfs/dbraw/zinc/97/66/44/1317976644.db2.gz GBRSPVAJYQCUSA-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@@](C)(O)C(F)F)cc2)C1 ZINC000905905917 1318016832 /nfs/dbraw/zinc/01/68/32/1318016832.db2.gz HTWRNIDSJNZRIQ-KBXCAEBGSA-N 2 1 326.431 3.024 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1)c1ccccc1 ZINC001021094698 1318080119 /nfs/dbraw/zinc/08/01/19/1318080119.db2.gz YPFMMOCRYOURDG-LWYYNNOASA-N 2 1 343.515 3.249 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000906673066 1318136504 /nfs/dbraw/zinc/13/65/04/1318136504.db2.gz PQHTVRBZVGNIFR-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000906673066 1318136506 /nfs/dbraw/zinc/13/65/06/1318136506.db2.gz PQHTVRBZVGNIFR-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000906673066 1318136509 /nfs/dbraw/zinc/13/65/09/1318136509.db2.gz PQHTVRBZVGNIFR-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC001021435163 1318249934 /nfs/dbraw/zinc/24/99/34/1318249934.db2.gz YTZDBTXTSRNMQC-IPQPSQTFSA-N 2 1 335.536 3.161 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001021435163 1318249940 /nfs/dbraw/zinc/24/99/40/1318249940.db2.gz YTZDBTXTSRNMQC-IPQPSQTFSA-N 2 1 335.536 3.161 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001021435163 1318249948 /nfs/dbraw/zinc/24/99/48/1318249948.db2.gz YTZDBTXTSRNMQC-IPQPSQTFSA-N 2 1 335.536 3.161 20 0 EGADMP Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC000812718461 1318443434 /nfs/dbraw/zinc/44/34/34/1318443434.db2.gz LIORZTAEQAQXKM-AZUAARDMSA-N 2 1 330.472 3.003 20 0 EGADMP C[C@H]1C[C@H](CCNc2cc[nH+]c(CO)c2)C[N@H+]1Cc1ccccc1 ZINC000858457919 1328767348 /nfs/dbraw/zinc/76/73/48/1328767348.db2.gz VZLAZWODUATTOB-WMZOPIPTSA-N 2 1 325.456 3.287 20 0 EGADMP C[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCC(C)(C)C)CC[C@@H]32)CC1 ZINC001021666851 1318529217 /nfs/dbraw/zinc/52/92/17/1318529217.db2.gz XLOKJXKOZWOTBX-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000813325784 1318533313 /nfs/dbraw/zinc/53/33/13/1318533313.db2.gz KQPNVFGLZMLDIZ-XLIONFOSSA-N 2 1 326.488 3.224 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001022077019 1318792326 /nfs/dbraw/zinc/79/23/26/1318792326.db2.gz HSKFJPXMEQBNMV-ZRNYENFQSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001022201386 1318840307 /nfs/dbraw/zinc/84/03/07/1318840307.db2.gz HUYMCWOVQIDKNX-OTWHNJEPSA-N 2 1 335.536 3.066 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001022279429 1318872236 /nfs/dbraw/zinc/87/22/36/1318872236.db2.gz XYVYBNYESACPTB-ZGXWSNOMSA-N 2 1 347.547 3.211 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001022278002 1318872408 /nfs/dbraw/zinc/87/24/08/1318872408.db2.gz FFRUWUKKWQSPOZ-YRPNKDGESA-N 2 1 347.547 3.211 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001022279423 1318872968 /nfs/dbraw/zinc/87/29/68/1318872968.db2.gz XYVYBNYESACPTB-WCIQWLHISA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)c1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001022293548 1318881111 /nfs/dbraw/zinc/88/11/11/1318881111.db2.gz UZUSYLLAHMYTIG-WSTZPKSXSA-N 2 1 343.515 3.031 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC001022293096 1318881159 /nfs/dbraw/zinc/88/11/59/1318881159.db2.gz QSPYOKIMTBKVPB-PNYFIKQUSA-N 2 1 343.515 3.086 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001022585493 1319004194 /nfs/dbraw/zinc/00/41/94/1319004194.db2.gz PGRNNJFGXRZFMV-SLFFLAALSA-N 2 1 347.547 3.236 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)c1 ZINC001022711966 1319079222 /nfs/dbraw/zinc/07/92/22/1319079222.db2.gz HBPJCOGPPBVPPL-MKXGPGLRSA-N 2 1 343.515 3.086 20 0 EGADMP C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC000960984057 1319116596 /nfs/dbraw/zinc/11/65/96/1319116596.db2.gz RGLAIFHQBOLVLB-MRXNPFEDSA-N 2 1 346.519 3.046 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC000960984057 1319116600 /nfs/dbraw/zinc/11/66/00/1319116600.db2.gz RGLAIFHQBOLVLB-MRXNPFEDSA-N 2 1 346.519 3.046 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001022807262 1319119293 /nfs/dbraw/zinc/11/92/93/1319119293.db2.gz GKTGHPHPDFVWIM-LMCOJAPRSA-N 2 1 343.515 3.247 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001023130875 1319275486 /nfs/dbraw/zinc/27/54/86/1319275486.db2.gz KAROTXGKBAEPTM-PNYFIKQUSA-N 2 1 343.515 3.167 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001023130877 1319275771 /nfs/dbraw/zinc/27/57/71/1319275771.db2.gz KARXYFAHKDIHRL-CEXWTWQISA-N 2 1 349.563 3.314 20 0 EGADMP C[N@H+]1CC=C(C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817581410 1319404439 /nfs/dbraw/zinc/40/44/39/1319404439.db2.gz RZXAHGQFWFONLX-CYBMUJFWSA-N 2 1 342.306 3.208 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817581410 1319404447 /nfs/dbraw/zinc/40/44/47/1319404447.db2.gz RZXAHGQFWFONLX-CYBMUJFWSA-N 2 1 342.306 3.208 20 0 EGADMP CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961270629 1319420779 /nfs/dbraw/zinc/42/07/79/1319420779.db2.gz LOGWRIBXNDEPIG-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961294084 1319456446 /nfs/dbraw/zinc/45/64/46/1319456446.db2.gz SWKQWIFTNLKVKD-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)ccc1SC(F)F ZINC000817981851 1319485602 /nfs/dbraw/zinc/48/56/02/1319485602.db2.gz VVDYFHBNYRDRLI-YPMHNXCESA-N 2 1 346.443 3.039 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](CC3CCCCC3)C2)CC[N@H+]1C ZINC001023382064 1319490091 /nfs/dbraw/zinc/49/00/91/1319490091.db2.gz XUNGVFLXYZQYEO-HSALFYBXSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+](CC3CCCCC3)C2)CC[NH+]1C ZINC001023382064 1319490094 /nfs/dbraw/zinc/49/00/94/1319490094.db2.gz XUNGVFLXYZQYEO-HSALFYBXSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CC3CCCCC3)C2)CC[NH+]1C ZINC001023382064 1319490097 /nfs/dbraw/zinc/49/00/97/1319490097.db2.gz XUNGVFLXYZQYEO-HSALFYBXSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961343988 1319498650 /nfs/dbraw/zinc/49/86/50/1319498650.db2.gz YXTNWVYIAUBZQR-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961343988 1319498654 /nfs/dbraw/zinc/49/86/54/1319498654.db2.gz YXTNWVYIAUBZQR-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000961343988 1319498658 /nfs/dbraw/zinc/49/86/58/1319498658.db2.gz YXTNWVYIAUBZQR-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961364325 1319520836 /nfs/dbraw/zinc/52/08/36/1319520836.db2.gz CHVVIPHSGKKQRK-UXHICEINSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000961364325 1319520846 /nfs/dbraw/zinc/52/08/46/1319520846.db2.gz CHVVIPHSGKKQRK-UXHICEINSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000961364325 1319520852 /nfs/dbraw/zinc/52/08/52/1319520852.db2.gz CHVVIPHSGKKQRK-UXHICEINSA-N 2 1 349.563 3.218 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001023446566 1319545471 /nfs/dbraw/zinc/54/54/71/1319545471.db2.gz RXPOOUATZUBHKU-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001023446566 1319545480 /nfs/dbraw/zinc/54/54/80/1319545480.db2.gz RXPOOUATZUBHKU-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001023446566 1319545488 /nfs/dbraw/zinc/54/54/88/1319545488.db2.gz RXPOOUATZUBHKU-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001023445753 1319546167 /nfs/dbraw/zinc/54/61/67/1319546167.db2.gz AOPSJTLYFHMOQV-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001023445753 1319546175 /nfs/dbraw/zinc/54/61/75/1319546175.db2.gz AOPSJTLYFHMOQV-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001023445753 1319546181 /nfs/dbraw/zinc/54/61/81/1319546181.db2.gz AOPSJTLYFHMOQV-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000961392971 1319547999 /nfs/dbraw/zinc/54/79/99/1319547999.db2.gz NQORVJFQXMFLKC-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)c2ccc(F)cc2F)C1 ZINC000818959952 1319590676 /nfs/dbraw/zinc/59/06/76/1319590676.db2.gz BIBLIENODWJYEO-KHYOSLBOSA-N 2 1 340.458 3.346 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000818960457 1319592539 /nfs/dbraw/zinc/59/25/39/1319592539.db2.gz ZGPYGFSNPYFDQZ-KDOFPFPSSA-N 2 1 326.431 3.242 20 0 EGADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000818971659 1319598872 /nfs/dbraw/zinc/59/88/72/1319598872.db2.gz AKLWWOZFLHUHIJ-ZBEGNZNMSA-N 2 1 329.271 3.101 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000818985636 1319604808 /nfs/dbraw/zinc/60/48/08/1319604808.db2.gz UEVZHPZTDHUJNO-GUYCJALGSA-N 2 1 328.859 3.223 20 0 EGADMP C[N@@H+](CCCC[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000819363107 1319710491 /nfs/dbraw/zinc/71/04/91/1319710491.db2.gz UBCZLOQSFRNSFA-INIZCTEOSA-N 2 1 330.394 3.203 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001023749964 1319893732 /nfs/dbraw/zinc/89/37/32/1319893732.db2.gz DLRQTPDUDIFVCO-UXHICEINSA-N 2 1 349.563 3.127 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001023749964 1319893739 /nfs/dbraw/zinc/89/37/39/1319893739.db2.gz DLRQTPDUDIFVCO-UXHICEINSA-N 2 1 349.563 3.127 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001023749964 1319893750 /nfs/dbraw/zinc/89/37/50/1319893750.db2.gz DLRQTPDUDIFVCO-UXHICEINSA-N 2 1 349.563 3.127 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761516 1319907607 /nfs/dbraw/zinc/90/76/07/1319907607.db2.gz BPPXTUGPTDCRHC-IEBWSBKVSA-N 2 1 345.531 3.236 20 0 EGADMP c1ccc(-c2nnc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)o2)cc1 ZINC000820825303 1319963092 /nfs/dbraw/zinc/96/30/92/1319963092.db2.gz ZJUQBJIFKXWVEU-ZNXRZULTSA-N 2 1 338.455 3.027 20 0 EGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000823394779 1320175211 /nfs/dbraw/zinc/17/52/11/1320175211.db2.gz AKLBFJLGNYCCLM-MRXNPFEDSA-N 2 1 341.540 3.199 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000823394779 1320175212 /nfs/dbraw/zinc/17/52/12/1320175212.db2.gz AKLBFJLGNYCCLM-MRXNPFEDSA-N 2 1 341.540 3.199 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(C2CC2)nn1C ZINC000823961120 1320219371 /nfs/dbraw/zinc/21/93/71/1320219371.db2.gz LVLNIALXWHOWLL-UZLBHIALSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(C2CC2)nn1C ZINC000823961120 1320219374 /nfs/dbraw/zinc/21/93/74/1320219374.db2.gz LVLNIALXWHOWLL-UZLBHIALSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(C2CC2)nn1C ZINC000823961120 1320219376 /nfs/dbraw/zinc/21/93/76/1320219376.db2.gz LVLNIALXWHOWLL-UZLBHIALSA-N 2 1 338.499 3.298 20 0 EGADMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cc(F)ncc3F)cc2)CC1 ZINC000824351759 1320250043 /nfs/dbraw/zinc/25/00/43/1320250043.db2.gz URIHRAHCXRCBOE-UHFFFAOYSA-N 2 1 347.409 3.123 20 0 EGADMP CCn1ncc(C[NH2+]Cc2ccccc2-c2ccc(C[NH+](C)C)cc2)n1 ZINC000838897533 1320830808 /nfs/dbraw/zinc/83/08/08/1320830808.db2.gz IKMPINALHWNZDB-UHFFFAOYSA-N 2 1 349.482 3.316 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000840726147 1321135780 /nfs/dbraw/zinc/13/57/80/1321135780.db2.gz XDJCFYDVROVWFY-MSOLQXFVSA-N 2 1 340.552 3.448 20 0 EGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841032076 1321204504 /nfs/dbraw/zinc/20/45/04/1321204504.db2.gz JMEAVVGTGPNLHS-DYESRHJHSA-N 2 1 329.532 3.321 20 0 EGADMP CC(=O)Nc1cccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859214689 1328948166 /nfs/dbraw/zinc/94/81/66/1328948166.db2.gz MIPGAOSYHBUUDI-UHFFFAOYSA-N 2 1 325.456 3.339 20 0 EGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000842476381 1321394127 /nfs/dbraw/zinc/39/41/27/1321394127.db2.gz NDYJRWFUEYWGGZ-AWEZNQCLSA-N 2 1 332.414 3.448 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843055743 1321463280 /nfs/dbraw/zinc/46/32/80/1321463280.db2.gz NHCUMZUGQVTUGK-UHFFFAOYSA-N 2 1 326.488 3.250 20 0 EGADMP C[N@@H+](CCC(=O)Nc1cccc2ccccc21)C1CCC([NH3+])CC1 ZINC000843353678 1321504714 /nfs/dbraw/zinc/50/47/14/1321504714.db2.gz JBBCJDIRXYVWNT-UHFFFAOYSA-N 2 1 325.456 3.370 20 0 EGADMP C[N@@H+](Cc1nn(-c2ccc(F)cc2)c2c1CCC2)C1CCC([NH3+])CC1 ZINC000843354725 1321505032 /nfs/dbraw/zinc/50/50/32/1321505032.db2.gz FGABXVQDICHGTH-UHFFFAOYSA-N 2 1 342.462 3.202 20 0 EGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000843360191 1321506408 /nfs/dbraw/zinc/50/64/08/1321506408.db2.gz FPBJBDSPGHZAEO-AYHJJNSGSA-N 2 1 338.451 3.126 20 0 EGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000843360191 1321506412 /nfs/dbraw/zinc/50/64/12/1321506412.db2.gz FPBJBDSPGHZAEO-AYHJJNSGSA-N 2 1 338.451 3.126 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)c2cc1C(C)C ZINC000843363052 1321507389 /nfs/dbraw/zinc/50/73/89/1321507389.db2.gz YDDYBYCWGKFBPY-HUUCEWRRSA-N 2 1 328.456 3.394 20 0 EGADMP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843378130 1321508919 /nfs/dbraw/zinc/50/89/19/1321508919.db2.gz SQTPTHBHLKUGAI-CVEARBPZSA-N 2 1 331.504 3.372 20 0 EGADMP CCc1ccc2c(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000843387866 1321509960 /nfs/dbraw/zinc/50/99/60/1321509960.db2.gz JJROWOHECYVSFF-SJORKVTESA-N 2 1 340.467 3.177 20 0 EGADMP CC(C)(C)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000843388694 1321510188 /nfs/dbraw/zinc/51/01/88/1321510188.db2.gz WJAPCULVUIHFCA-IAGOWNOFSA-N 2 1 343.515 3.244 20 0 EGADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000843781594 1321547384 /nfs/dbraw/zinc/54/73/84/1321547384.db2.gz XVVYLQXWNLSKER-UHFFFAOYSA-N 2 1 345.531 3.361 20 0 EGADMP CCCN(C(=O)CCCCC[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000844174205 1321576178 /nfs/dbraw/zinc/57/61/78/1321576178.db2.gz PTXZABWLOHLAST-HXUWFJFHSA-N 2 1 345.531 3.409 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000846218898 1321777570 /nfs/dbraw/zinc/77/75/70/1321777570.db2.gz XYSRQKAVTFENSH-UHFFFAOYSA-N 2 1 337.895 3.007 20 0 EGADMP C[C@H]([NH2+]Cc1ccc2nonc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000846848948 1321816663 /nfs/dbraw/zinc/81/66/63/1321816663.db2.gz QHWFVKWOZJDJDY-MAUKXSAKSA-N 2 1 336.439 3.223 20 0 EGADMP COc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Cl ZINC000848553476 1321975599 /nfs/dbraw/zinc/97/55/99/1321975599.db2.gz TZPNPGAEAJYEDL-INIZCTEOSA-N 2 1 338.879 3.082 20 0 EGADMP C[C@@H]1C[C@H](CCNC(=[NH2+])NCC2CCC2)C[N@H+]1Cc1ccccc1 ZINC000848989916 1322056773 /nfs/dbraw/zinc/05/67/73/1322056773.db2.gz LHAFCWKIRXTBSN-APWZRJJASA-N 2 1 328.504 3.201 20 0 EGADMP C[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@H+](C)Cc1ccccc1 ZINC000849080991 1322069989 /nfs/dbraw/zinc/06/99/89/1322069989.db2.gz BEFIVUREWBIUHY-CYBMUJFWSA-N 2 1 332.398 3.422 20 0 EGADMP C[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@@H+](C)Cc1ccccc1 ZINC000849080991 1322069997 /nfs/dbraw/zinc/06/99/97/1322069997.db2.gz BEFIVUREWBIUHY-CYBMUJFWSA-N 2 1 332.398 3.422 20 0 EGADMP [NH2+]=C(NCC1CCC1)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000849085240 1322072255 /nfs/dbraw/zinc/07/22/55/1322072255.db2.gz IWRQCEPJAZULJX-IBGZPJMESA-N 2 1 328.504 3.203 20 0 EGADMP CC(C)CCNC(=[NH2+])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000849085676 1322072964 /nfs/dbraw/zinc/07/29/64/1322072964.db2.gz VKKVGGVLEAJQEW-IBGZPJMESA-N 2 1 330.520 3.449 20 0 EGADMP C[N@H+]1CCC[C@@H](CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849116352 1322085111 /nfs/dbraw/zinc/08/51/11/1322085111.db2.gz NCYYXYNSQFBBJS-ZDUSSCGKSA-N 2 1 342.409 3.051 20 0 EGADMP [NH3+]C[C@H]([NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)C1CCCCC1 ZINC000923375206 1322742037 /nfs/dbraw/zinc/74/20/37/1322742037.db2.gz ZNXIWUHAUKCUHJ-WBVHZDCISA-N 2 1 344.421 3.106 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001023994025 1323067700 /nfs/dbraw/zinc/06/77/00/1323067700.db2.gz WMLIWIHSDBEJAL-WMZOPIPTSA-N 2 1 346.519 3.025 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000851924681 1323114306 /nfs/dbraw/zinc/11/43/06/1323114306.db2.gz QAVDOPHQDNWDKP-DOTOQJQBSA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000851924681 1323114312 /nfs/dbraw/zinc/11/43/12/1323114312.db2.gz QAVDOPHQDNWDKP-DOTOQJQBSA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000851924681 1323114314 /nfs/dbraw/zinc/11/43/14/1323114314.db2.gz QAVDOPHQDNWDKP-DOTOQJQBSA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000851924681 1323114320 /nfs/dbraw/zinc/11/43/20/1323114320.db2.gz QAVDOPHQDNWDKP-DOTOQJQBSA-N 2 1 344.421 3.196 20 0 EGADMP COCCOc1ccccc1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924733029 1323138608 /nfs/dbraw/zinc/13/86/08/1323138608.db2.gz CIGOAZDJGCAVPR-UHFFFAOYSA-N 2 1 334.504 3.312 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC000963157791 1323219975 /nfs/dbraw/zinc/21/99/75/1323219975.db2.gz RJHYZJWTKZMQDJ-ACBHZAAOSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1coc2ccccc12 ZINC000924959876 1323228847 /nfs/dbraw/zinc/22/88/47/1323228847.db2.gz PZPIFSLGYBZVRU-MRXNPFEDSA-N 2 1 329.488 3.357 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ccc(C)cc2C)CC1 ZINC000852744447 1323234084 /nfs/dbraw/zinc/23/40/84/1323234084.db2.gz DDTFFLVUTCEEMY-UHFFFAOYSA-N 2 1 326.488 3.411 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])cc(=O)oc2c1 ZINC000852758882 1323238780 /nfs/dbraw/zinc/23/87/80/1323238780.db2.gz GKFJHKFUUWDTOA-CRAIPNDOSA-N 2 1 328.456 3.441 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024480002 1323432638 /nfs/dbraw/zinc/43/26/38/1323432638.db2.gz WHBNYSMUFJWQPS-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024480002 1323432645 /nfs/dbraw/zinc/43/26/45/1323432645.db2.gz WHBNYSMUFJWQPS-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024480002 1323432653 /nfs/dbraw/zinc/43/26/53/1323432653.db2.gz WHBNYSMUFJWQPS-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024502699 1323450962 /nfs/dbraw/zinc/45/09/62/1323450962.db2.gz QEOFXSSUSTZZRN-GOSISDBHSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024812624 1323716615 /nfs/dbraw/zinc/71/66/15/1323716615.db2.gz QGFFWXFCYMZDOG-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC001024812624 1323716621 /nfs/dbraw/zinc/71/66/21/1323716621.db2.gz QGFFWXFCYMZDOG-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCC1CCC1 ZINC001024812624 1323716626 /nfs/dbraw/zinc/71/66/26/1323716626.db2.gz QGFFWXFCYMZDOG-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024963898 1323803451 /nfs/dbraw/zinc/80/34/51/1323803451.db2.gz YWSXACXQZMZOHK-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001024978896 1323811000 /nfs/dbraw/zinc/81/10/00/1323811000.db2.gz JCXIBZSCCRZPMG-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCc4cccnc4)cc3)C[C@@H]2C1 ZINC000931440613 1329118164 /nfs/dbraw/zinc/11/81/64/1329118164.db2.gz YOSCCKDJJQSFOW-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001025105502 1323898298 /nfs/dbraw/zinc/89/82/98/1323898298.db2.gz WHPAGSOWVNSMTA-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001025108979 1323899557 /nfs/dbraw/zinc/89/95/57/1323899557.db2.gz HNPDJVJTIMCPCI-VQIMIIECSA-N 2 1 346.519 3.139 20 0 EGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931480898 1329127799 /nfs/dbraw/zinc/12/77/99/1329127799.db2.gz LMNZTPLAZSMDMA-LBPRGKRZSA-N 2 1 331.287 3.443 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025248098 1324049034 /nfs/dbraw/zinc/04/90/34/1324049034.db2.gz VJZMMESZEPDZPL-RTBURBONSA-N 2 1 347.547 3.260 20 0 EGADMP CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC001025274884 1324094069 /nfs/dbraw/zinc/09/40/69/1324094069.db2.gz PLRMMBBAATWWCP-ROUUACIJSA-N 2 1 346.519 3.262 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC001025274884 1324094075 /nfs/dbraw/zinc/09/40/75/1324094075.db2.gz PLRMMBBAATWWCP-ROUUACIJSA-N 2 1 346.519 3.262 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470401 1324315375 /nfs/dbraw/zinc/31/53/75/1324315375.db2.gz XCLPCIDQUNDPSF-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514791 1324359178 /nfs/dbraw/zinc/35/91/78/1324359178.db2.gz FVYURBBIZNOVRS-SJORKVTESA-N 2 1 349.519 3.218 20 0 EGADMP CC(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001026298532 1324710501 /nfs/dbraw/zinc/71/05/01/1324710501.db2.gz NPWPOVISIRUYDR-QXAKKESOSA-N 2 1 349.563 3.122 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001026503681 1324853297 /nfs/dbraw/zinc/85/32/97/1324853297.db2.gz GUEDSUYTJUUQPT-SOAGJPPSSA-N 2 1 349.563 3.458 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]CC3CCC(C)(C)CC3)CC2)C1 ZINC001026605671 1324928169 /nfs/dbraw/zinc/92/81/69/1324928169.db2.gz YAKVBEVAGMNXJM-LMDPOFIKSA-N 2 1 349.563 3.172 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001026856156 1325044754 /nfs/dbraw/zinc/04/47/54/1325044754.db2.gz UCFGDJNIRAZHOK-FUHWJXTLSA-N 2 1 346.519 3.025 20 0 EGADMP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000925115877 1325051568 /nfs/dbraw/zinc/05/15/68/1325051568.db2.gz VENVWXRVVVMHRF-ZIFCJYIRSA-N 2 1 343.515 3.297 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CCC2)CC1 ZINC000963319754 1325105560 /nfs/dbraw/zinc/10/55/60/1325105560.db2.gz UCRVGCQXNBJMJB-ACBHZAAOSA-N 2 1 335.536 3.019 20 0 EGADMP COc1ccc(Oc2cc(C[NH2+][C@H]3C[C@H]([NH3+])C34CCC4)ccn2)cc1 ZINC000925472670 1325166273 /nfs/dbraw/zinc/16/62/73/1325166273.db2.gz FTKHQDNKSDMHDC-ROUUACIJSA-N 2 1 339.439 3.242 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383130 1325184486 /nfs/dbraw/zinc/18/44/86/1325184486.db2.gz MFEUQXLFLAAMLO-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000925523111 1325189755 /nfs/dbraw/zinc/18/97/55/1325189755.db2.gz WPLZIJZGTGKEIL-WPOXQQAKSA-N 3 1 327.516 3.004 20 0 EGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000925523111 1325189758 /nfs/dbraw/zinc/18/97/58/1325189758.db2.gz WPLZIJZGTGKEIL-WPOXQQAKSA-N 2 1 327.516 3.004 20 0 EGADMP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925536793 1325198343 /nfs/dbraw/zinc/19/83/43/1325198343.db2.gz GNJNKRXLEJOPHG-LEWJYISDSA-N 2 1 338.499 3.189 20 0 EGADMP CCCOc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)c1 ZINC000925579424 1325218214 /nfs/dbraw/zinc/21/82/14/1325218214.db2.gz FOMNWYYPPLYKQR-IHWFROFDSA-N 2 1 346.515 3.249 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001027098223 1325222459 /nfs/dbraw/zinc/22/24/59/1325222459.db2.gz ILDMKOOJUWKCQO-SFHVURJKSA-N 2 1 346.519 3.025 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963426409 1325234200 /nfs/dbraw/zinc/23/42/00/1325234200.db2.gz AHQLDONPQMVHTN-VQTJNVASSA-N 2 1 349.563 3.366 20 0 EGADMP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925631700 1325239176 /nfs/dbraw/zinc/23/91/76/1325239176.db2.gz WPLRNXPEPGPXTD-YENGBRFLSA-N 2 1 339.886 3.202 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C12CCC2 ZINC000925657945 1325252458 /nfs/dbraw/zinc/25/24/58/1325252458.db2.gz VPNOMEADAZGPHC-MCIONIFRSA-N 2 1 348.796 3.252 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001027163286 1325263441 /nfs/dbraw/zinc/26/34/41/1325263441.db2.gz BKROJSBIJIQPSE-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP [NH3+]Cc1nc2c(s1)CC[N@@H+]([C@H]1CCC[C@@H](c3cccnc3)C1)C2 ZINC000925752047 1325283710 /nfs/dbraw/zinc/28/37/10/1325283710.db2.gz RVHUVBZUEMHQGX-HIFRSBDPSA-N 2 1 328.485 3.081 20 0 EGADMP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@H]1CCC[C@@H](c3cccnc3)C1)C2 ZINC000925752047 1325283716 /nfs/dbraw/zinc/28/37/16/1325283716.db2.gz RVHUVBZUEMHQGX-HIFRSBDPSA-N 2 1 328.485 3.081 20 0 EGADMP CC1(C)[C@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C[C@@H]1c1ccccc1 ZINC000925794684 1325304768 /nfs/dbraw/zinc/30/47/68/1325304768.db2.gz VTSCOVLNEXQCAN-GUDVDZBRSA-N 2 1 328.500 3.317 20 0 EGADMP FC(F)(F)CN1CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925835464 1325322645 /nfs/dbraw/zinc/32/26/45/1325322645.db2.gz PXOITVATYRDEPB-BRWVUGGUSA-N 2 1 341.421 3.096 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CCC([NH2+]C(C)C)CC1 ZINC000964153837 1325483455 /nfs/dbraw/zinc/48/34/55/1325483455.db2.gz RIPMFNMSBNLZCL-CTWPCTMYSA-N 2 1 337.552 3.409 20 0 EGADMP C[N@@H+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027333146 1325491052 /nfs/dbraw/zinc/49/10/52/1325491052.db2.gz VHTKOBBOGWQLDR-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001027333146 1325491055 /nfs/dbraw/zinc/49/10/55/1325491055.db2.gz VHTKOBBOGWQLDR-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001027333146 1325491057 /nfs/dbraw/zinc/49/10/57/1325491057.db2.gz VHTKOBBOGWQLDR-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857120955 1325575219 /nfs/dbraw/zinc/57/52/19/1325575219.db2.gz QIIRYTAIXWTQLZ-WOJBJXKFSA-N 2 1 343.515 3.100 20 0 EGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857120955 1325575225 /nfs/dbraw/zinc/57/52/25/1325575225.db2.gz QIIRYTAIXWTQLZ-WOJBJXKFSA-N 2 1 343.515 3.100 20 0 EGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857120955 1325575233 /nfs/dbraw/zinc/57/52/33/1325575233.db2.gz QIIRYTAIXWTQLZ-WOJBJXKFSA-N 2 1 343.515 3.100 20 0 EGADMP CC[N@H+]1C[C@H](C)N(C(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)C[C@@H]1C ZINC000857165767 1325586567 /nfs/dbraw/zinc/58/65/67/1325586567.db2.gz AVOWEPNZRHGHJY-ABSDTBQOSA-N 2 1 343.515 3.051 20 0 EGADMP CC[NH+]1C[C@H](C)N(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)C[C@@H]1C ZINC000857165767 1325586575 /nfs/dbraw/zinc/58/65/75/1325586575.db2.gz AVOWEPNZRHGHJY-ABSDTBQOSA-N 2 1 343.515 3.051 20 0 EGADMP CC[NH+]1C[C@H](C)N(C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)C[C@@H]1C ZINC000857165767 1325586579 /nfs/dbraw/zinc/58/65/79/1325586579.db2.gz AVOWEPNZRHGHJY-ABSDTBQOSA-N 2 1 343.515 3.051 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2ccsc2)C1 ZINC001027409589 1327636725 /nfs/dbraw/zinc/63/67/25/1327636725.db2.gz LJMWLUBVXFFDBG-MSOLQXFVSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccsc2)C1 ZINC001027409589 1327636730 /nfs/dbraw/zinc/63/67/30/1327636730.db2.gz LJMWLUBVXFFDBG-MSOLQXFVSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccsc2)C1 ZINC001027409589 1327636735 /nfs/dbraw/zinc/63/67/35/1327636735.db2.gz LJMWLUBVXFFDBG-MSOLQXFVSA-N 2 1 349.544 3.044 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CC3CC(C)(C)C3)C2)CC[N@H+]1C ZINC001027417526 1327642980 /nfs/dbraw/zinc/64/29/80/1327642980.db2.gz ALUXOIQKYUEPOW-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)CC3CC(C)(C)C3)C2)CC[NH+]1C ZINC001027417526 1327642987 /nfs/dbraw/zinc/64/29/87/1327642987.db2.gz ALUXOIQKYUEPOW-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)CC3CC(C)(C)C3)C2)CC[NH+]1C ZINC001027417526 1327642995 /nfs/dbraw/zinc/64/29/95/1327642995.db2.gz ALUXOIQKYUEPOW-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP C[N@@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027449411 1327689845 /nfs/dbraw/zinc/68/98/45/1327689845.db2.gz ZYVQMNVZACDCLF-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCC1)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001027449411 1327689852 /nfs/dbraw/zinc/68/98/52/1327689852.db2.gz ZYVQMNVZACDCLF-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCC1)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001027449411 1327689859 /nfs/dbraw/zinc/68/98/59/1327689859.db2.gz ZYVQMNVZACDCLF-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](Cc1ccsc1)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027447934 1327690992 /nfs/dbraw/zinc/69/09/92/1327690992.db2.gz BUODASWRYXMFHI-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001027447934 1327691000 /nfs/dbraw/zinc/69/10/00/1327691000.db2.gz BUODASWRYXMFHI-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001027447934 1327691012 /nfs/dbraw/zinc/69/10/12/1327691012.db2.gz BUODASWRYXMFHI-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cnnn1-c1ccccc1 ZINC000926739135 1327693736 /nfs/dbraw/zinc/69/37/36/1327693736.db2.gz OOUHOCMRQMUZLV-SJLPKXTDSA-N 2 1 339.487 3.040 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cnnn1-c1ccccc1 ZINC000926739135 1327693743 /nfs/dbraw/zinc/69/37/43/1327693743.db2.gz OOUHOCMRQMUZLV-SJLPKXTDSA-N 2 1 339.487 3.040 20 0 EGADMP O=c1[nH]cccc1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926772079 1327709302 /nfs/dbraw/zinc/70/93/02/1327709302.db2.gz FUKVHZPYSKKUFW-IHWFROFDSA-N 2 1 337.467 3.463 20 0 EGADMP O=c1[nH]cccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926772079 1327709315 /nfs/dbraw/zinc/70/93/15/1327709315.db2.gz FUKVHZPYSKKUFW-IHWFROFDSA-N 2 1 337.467 3.463 20 0 EGADMP C[N@@H+](CC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027466843 1327721240 /nfs/dbraw/zinc/72/12/40/1327721240.db2.gz YHHBGJKXGBXBCE-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001027466843 1327721246 /nfs/dbraw/zinc/72/12/46/1327721246.db2.gz YHHBGJKXGBXBCE-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001027466843 1327721252 /nfs/dbraw/zinc/72/12/52/1327721252.db2.gz YHHBGJKXGBXBCE-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CC1CCCC1)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001027492054 1327752806 /nfs/dbraw/zinc/75/28/06/1327752806.db2.gz GHSNVQFJBTYTOA-LJQANCHMSA-N 2 1 340.471 3.061 20 0 EGADMP C[N@@H+](CC1CCCCCC1)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027556123 1327864142 /nfs/dbraw/zinc/86/41/42/1327864142.db2.gz XLUAWTAKHZAHKW-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000928005687 1328167575 /nfs/dbraw/zinc/16/75/75/1328167575.db2.gz NLYXWGZTNOPZMB-VXESANQCSA-N 2 1 346.519 3.310 20 0 EGADMP CCCn1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nn1 ZINC000865508972 1329707258 /nfs/dbraw/zinc/70/72/58/1329707258.db2.gz IVHHRDPRDPPCNA-PKOBYXMFSA-N 2 1 341.503 3.078 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)CC1(C)OCCO1 ZINC000865673037 1329727929 /nfs/dbraw/zinc/72/79/29/1329727929.db2.gz QXDBDTINBMSJAD-CMKODMSKSA-N 2 1 346.515 3.418 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)CC1(C)OCCO1 ZINC000865673037 1329727931 /nfs/dbraw/zinc/72/79/31/1329727931.db2.gz QXDBDTINBMSJAD-CMKODMSKSA-N 2 1 346.515 3.418 20 0 EGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC000932620275 1329827900 /nfs/dbraw/zinc/82/79/00/1329827900.db2.gz CFGUYTIGSMHIRK-UHFFFAOYSA-N 2 1 330.501 3.178 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1C ZINC000934072472 1329943903 /nfs/dbraw/zinc/94/39/03/1329943903.db2.gz GOCFIAQFQCYIAF-NVXWUHKLSA-N 2 1 345.491 3.018 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1C ZINC000934072472 1329943905 /nfs/dbraw/zinc/94/39/05/1329943905.db2.gz GOCFIAQFQCYIAF-NVXWUHKLSA-N 2 1 345.491 3.018 20 0 EGADMP c1cc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)ccn1 ZINC000934696608 1330000659 /nfs/dbraw/zinc/00/06/59/1330000659.db2.gz BQUYGBIWSBOEJA-NRFANRHFSA-N 2 1 337.467 3.155 20 0 EGADMP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1[NH2+]CCC1CCCCC1 ZINC000939541793 1330455148 /nfs/dbraw/zinc/45/51/48/1330455148.db2.gz QBCZBWSZXUOWIH-NVXWUHKLSA-N 2 1 346.519 3.094 20 0 EGADMP C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000942172693 1331860189 /nfs/dbraw/zinc/86/01/89/1331860189.db2.gz MBHOJSPFNCHITD-ROUUACIJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[N@@H+](CC2CCCCC2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821118 1332042178 /nfs/dbraw/zinc/04/21/78/1332042178.db2.gz BSXIIMKUCUXFOA-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[NH+](CC2CCCCC2)CC[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821118 1332042180 /nfs/dbraw/zinc/04/21/80/1332042180.db2.gz BSXIIMKUCUXFOA-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[NH+](CC2CCCCC2)CC[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821118 1332042182 /nfs/dbraw/zinc/04/21/82/1332042182.db2.gz BSXIIMKUCUXFOA-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[N@@H+](CC2=CCCCC2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943331991 1332150665 /nfs/dbraw/zinc/15/06/65/1332150665.db2.gz BEIFMBZMSUJRCY-FXAWDEMLSA-N 2 1 347.547 3.045 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944168584 1332338935 /nfs/dbraw/zinc/33/89/35/1332338935.db2.gz JXUNIVBBLWOWEC-YJBOKZPZSA-N 2 1 346.519 3.024 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944168584 1332338937 /nfs/dbraw/zinc/33/89/37/1332338937.db2.gz JXUNIVBBLWOWEC-YJBOKZPZSA-N 2 1 346.519 3.024 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945338327 1332561015 /nfs/dbraw/zinc/56/10/15/1332561015.db2.gz ZYAGRJZYMHVUKL-SJLPKXTDSA-N 2 1 349.519 3.362 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631412 1332866357 /nfs/dbraw/zinc/86/63/57/1332866357.db2.gz GDMSKDLNVKEZCC-YSTOQKLRSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946631412 1332866359 /nfs/dbraw/zinc/86/63/59/1332866359.db2.gz GDMSKDLNVKEZCC-YSTOQKLRSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946631412 1332866360 /nfs/dbraw/zinc/86/63/60/1332866360.db2.gz GDMSKDLNVKEZCC-YSTOQKLRSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946807915 1332904818 /nfs/dbraw/zinc/90/48/18/1332904818.db2.gz GMCSKKNHYPIHBG-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946807915 1332904820 /nfs/dbraw/zinc/90/48/20/1332904820.db2.gz GMCSKKNHYPIHBG-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946807915 1332904825 /nfs/dbraw/zinc/90/48/25/1332904825.db2.gz GMCSKKNHYPIHBG-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CCC1CC1 ZINC000947310272 1333084551 /nfs/dbraw/zinc/08/45/51/1333084551.db2.gz ONEZUAUPXZYCJB-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CCC(C)(C)C ZINC000947494349 1333146507 /nfs/dbraw/zinc/14/65/07/1333146507.db2.gz XYNVJHCDRCIBOW-IRXDYDNUSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cncn1CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)[C@H](C)C1 ZINC000947548389 1333168007 /nfs/dbraw/zinc/16/80/07/1333168007.db2.gz ZBVDUUGRPHQDQP-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)[C@H](C)C1 ZINC000947548389 1333168011 /nfs/dbraw/zinc/16/80/11/1333168011.db2.gz ZBVDUUGRPHQDQP-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)[C@H](C)C1 ZINC000947548389 1333168012 /nfs/dbraw/zinc/16/80/12/1333168012.db2.gz ZBVDUUGRPHQDQP-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1CC1CCCC1 ZINC000947552255 1333169425 /nfs/dbraw/zinc/16/94/25/1333169425.db2.gz SWAFSGGXGZSWSE-CRAIPNDOSA-N 2 1 340.471 3.107 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CC1=CCCCC1 ZINC000947726786 1333241854 /nfs/dbraw/zinc/24/18/54/1333241854.db2.gz SDBRYNDSVMCEJF-PKOBYXMFSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC1=CCCCC1 ZINC000947726786 1333241855 /nfs/dbraw/zinc/24/18/55/1333241855.db2.gz SDBRYNDSVMCEJF-PKOBYXMFSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CC1=CCCCC1 ZINC000947726786 1333241858 /nfs/dbraw/zinc/24/18/58/1333241858.db2.gz SDBRYNDSVMCEJF-PKOBYXMFSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC1CCCCC1 ZINC000947775675 1333257851 /nfs/dbraw/zinc/25/78/51/1333257851.db2.gz PFJGMIUGZBCYRT-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCC1CCCCC1 ZINC000948038766 1333349438 /nfs/dbraw/zinc/34/94/38/1333349438.db2.gz BGFFDHHTLSWGKX-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)[C@@H](C)C1 ZINC000948044324 1333352439 /nfs/dbraw/zinc/35/24/39/1333352439.db2.gz PDVCPVSQOYUXII-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)[C@@H](C)C1 ZINC000948044324 1333352442 /nfs/dbraw/zinc/35/24/42/1333352442.db2.gz PDVCPVSQOYUXII-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC000948243659 1333439110 /nfs/dbraw/zinc/43/91/10/1333439110.db2.gz BSLGBTZJWAWNKD-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC000948243659 1333439111 /nfs/dbraw/zinc/43/91/11/1333439111.db2.gz BSLGBTZJWAWNKD-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC000948243659 1333439114 /nfs/dbraw/zinc/43/91/14/1333439114.db2.gz BSLGBTZJWAWNKD-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC000948365535 1333496165 /nfs/dbraw/zinc/49/61/65/1333496165.db2.gz QEUBIDGZHBUANC-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948365535 1333496167 /nfs/dbraw/zinc/49/61/67/1333496167.db2.gz QEUBIDGZHBUANC-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948365535 1333496169 /nfs/dbraw/zinc/49/61/69/1333496169.db2.gz QEUBIDGZHBUANC-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948374317 1333500484 /nfs/dbraw/zinc/50/04/84/1333500484.db2.gz UYBGLIUIRVUTSH-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CCC(C)C)CC2)CC[N@H+]1C ZINC000948389191 1333505031 /nfs/dbraw/zinc/50/50/31/1333505031.db2.gz PDNCJPSUMZBEDS-GBESFXJTSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[N@H+](CCC(C)C)CC2)CC[NH+]1C ZINC000948389191 1333505034 /nfs/dbraw/zinc/50/50/34/1333505034.db2.gz PDNCJPSUMZBEDS-GBESFXJTSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[N@@H+](CCC(C)C)CC2)CC[NH+]1C ZINC000948389191 1333505036 /nfs/dbraw/zinc/50/50/36/1333505036.db2.gz PDNCJPSUMZBEDS-GBESFXJTSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)[C@H]2CCC[NH+](CCC3CC3)CC2)C1 ZINC000948436008 1333523871 /nfs/dbraw/zinc/52/38/71/1333523871.db2.gz RSQKNKHKFNFEBL-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CCC3CC3)CC2)C1 ZINC000948436008 1333523874 /nfs/dbraw/zinc/52/38/74/1333523874.db2.gz RSQKNKHKFNFEBL-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CCC3CC3)CC2)C1 ZINC000948436008 1333523876 /nfs/dbraw/zinc/52/38/76/1333523876.db2.gz RSQKNKHKFNFEBL-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948439972 1333526283 /nfs/dbraw/zinc/52/62/83/1333526283.db2.gz XWGFNWJPZZRFRC-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948439972 1333526285 /nfs/dbraw/zinc/52/62/85/1333526285.db2.gz XWGFNWJPZZRFRC-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948439972 1333526288 /nfs/dbraw/zinc/52/62/88/1333526288.db2.gz XWGFNWJPZZRFRC-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC000948620041 1333599909 /nfs/dbraw/zinc/59/99/09/1333599909.db2.gz BDCXSXHKQMHYOQ-XOYTVWKISA-N 2 1 346.862 3.013 20 0 EGADMP CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000948706047 1333641279 /nfs/dbraw/zinc/64/12/79/1333641279.db2.gz SOPRZIDDITZZMT-HKUYNNGSSA-N 2 1 335.536 3.116 20 0 EGADMP CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000948706047 1333641284 /nfs/dbraw/zinc/64/12/84/1333641284.db2.gz SOPRZIDDITZZMT-HKUYNNGSSA-N 2 1 335.536 3.116 20 0 EGADMP CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000948706047 1333641286 /nfs/dbraw/zinc/64/12/86/1333641286.db2.gz SOPRZIDDITZZMT-HKUYNNGSSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](CC=C(C)C)CC2)C1 ZINC000948711382 1333643045 /nfs/dbraw/zinc/64/30/45/1333643045.db2.gz PACCPVOXRFPKGN-WOJBJXKFSA-N 2 1 349.563 3.388 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](CC=C(C)C)CC2)C1 ZINC000948711382 1333643048 /nfs/dbraw/zinc/64/30/48/1333643048.db2.gz PACCPVOXRFPKGN-WOJBJXKFSA-N 2 1 349.563 3.388 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CC=C(C)C)CC2)C1 ZINC000948711382 1333643050 /nfs/dbraw/zinc/64/30/50/1333643050.db2.gz PACCPVOXRFPKGN-WOJBJXKFSA-N 2 1 349.563 3.388 20 0 EGADMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000948743507 1333655547 /nfs/dbraw/zinc/65/55/47/1333655547.db2.gz WDYRULHEUJVHQL-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H](C(=O)N(C)[C@H]1CCC[N@@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC000948829630 1333702161 /nfs/dbraw/zinc/70/21/61/1333702161.db2.gz SANNBRMJYZSQMD-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)Cc1ncc[nH]1)[C@@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC000948886561 1333719402 /nfs/dbraw/zinc/71/94/02/1333719402.db2.gz OOKHPPSWUSFUGR-GOSISDBHSA-N 2 1 346.519 3.236 20 0 EGADMP CN(C(=O)Cc1ncc[nH]1)[C@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC000948887404 1333719628 /nfs/dbraw/zinc/71/96/28/1333719628.db2.gz YSJIJJYFLFPRKC-SFHVURJKSA-N 2 1 346.519 3.236 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000949043419 1333769810 /nfs/dbraw/zinc/76/98/10/1333769810.db2.gz SSVHSHNTGPOHNZ-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000949043419 1333769812 /nfs/dbraw/zinc/76/98/12/1333769812.db2.gz SSVHSHNTGPOHNZ-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000950331513 1334043482 /nfs/dbraw/zinc/04/34/82/1334043482.db2.gz PYMDMNLFDGDKFZ-MSOLQXFVSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000951195140 1334203857 /nfs/dbraw/zinc/20/38/57/1334203857.db2.gz FDEORDAPVHUOOB-FQEVSTJZSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000951195140 1334203859 /nfs/dbraw/zinc/20/38/59/1334203859.db2.gz FDEORDAPVHUOOB-FQEVSTJZSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC)C2C[NH+](CC3CCCCC3)C2)C1 ZINC000951214238 1334209795 /nfs/dbraw/zinc/20/97/95/1334209795.db2.gz GJUHAVCYCRDCIR-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[N@@H+](CCCC2CCCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968193996 1335869307 /nfs/dbraw/zinc/86/93/07/1335869307.db2.gz XLWUZORAAZKTCN-FXAWDEMLSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2C[N@@H+](CC3=CCCCC3)CC[C@H]2C)CC1 ZINC000968460246 1335932409 /nfs/dbraw/zinc/93/24/09/1335932409.db2.gz RKUMNVGZHGEDKE-QUCCMNQESA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCC1 ZINC000968850411 1336067400 /nfs/dbraw/zinc/06/74/00/1336067400.db2.gz YAMSNGZKVZKCIF-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCCC1 ZINC000968850411 1336067403 /nfs/dbraw/zinc/06/74/03/1336067403.db2.gz YAMSNGZKVZKCIF-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCCC1 ZINC000968850411 1336067405 /nfs/dbraw/zinc/06/74/05/1336067405.db2.gz YAMSNGZKVZKCIF-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CCCC1 ZINC000968920452 1336089014 /nfs/dbraw/zinc/08/90/14/1336089014.db2.gz VTMXDZBWQGSTQF-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CCCC1 ZINC000968920452 1336089018 /nfs/dbraw/zinc/08/90/18/1336089018.db2.gz VTMXDZBWQGSTQF-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CCCC1 ZINC000968920452 1336089022 /nfs/dbraw/zinc/08/90/22/1336089022.db2.gz VTMXDZBWQGSTQF-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCC1CCCC1 ZINC000968920452 1336089025 /nfs/dbraw/zinc/08/90/25/1336089025.db2.gz VTMXDZBWQGSTQF-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP O=C(NC[C@H]1CCCCC[N@@H+]1C/C=C\Cl)c1ccn2c[nH+]cc2c1 ZINC000968936593 1336096605 /nfs/dbraw/zinc/09/66/05/1336096605.db2.gz LWQKPCKNHYWKLA-HQQUCIOCSA-N 2 1 346.862 3.061 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CCCC2CCCC2)C1 ZINC000969144828 1336160950 /nfs/dbraw/zinc/16/09/50/1336160950.db2.gz UUQUSHZRFQTVDF-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CCCC2CCCC2)C1 ZINC000969144828 1336160951 /nfs/dbraw/zinc/16/09/51/1336160951.db2.gz UUQUSHZRFQTVDF-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CCCC2CCCC2)C1 ZINC000969144828 1336160952 /nfs/dbraw/zinc/16/09/52/1336160952.db2.gz UUQUSHZRFQTVDF-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969156516 1336165662 /nfs/dbraw/zinc/16/56/62/1336165662.db2.gz VHGBTGSRPJNTFY-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC000969674370 1336235804 /nfs/dbraw/zinc/23/58/04/1336235804.db2.gz JRIGSECWZHVAKF-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CCC3CCCCC3)C2)CC[N@H+]1C ZINC000969706747 1336238613 /nfs/dbraw/zinc/23/86/13/1336238613.db2.gz OYTJWIQKFPGDFP-FFZOFVMBSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCCC2)C1 ZINC000969794715 1336248124 /nfs/dbraw/zinc/24/81/24/1336248124.db2.gz ZKRJOKHLWGIOJP-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1C[NH+](CC2CCCC2)C1 ZINC000969829274 1336251893 /nfs/dbraw/zinc/25/18/93/1336251893.db2.gz BJKYJHMFOGEOCP-OXJNMPFZSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCC(C)C)C1 ZINC000970718983 1336335528 /nfs/dbraw/zinc/33/55/28/1336335528.db2.gz NWCOPBDRMRXPLP-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001005715164 1336396675 /nfs/dbraw/zinc/39/66/75/1336396675.db2.gz XRESTDRRKZOFEV-UHFFFAOYSA-N 2 1 346.519 3.085 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001005990067 1336434940 /nfs/dbraw/zinc/43/49/40/1336434940.db2.gz DHWFZCOJTRHPLZ-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001006407370 1336500590 /nfs/dbraw/zinc/50/05/90/1336500590.db2.gz NJPZVTJEYWOOHT-UHFFFAOYSA-N 2 1 344.503 3.005 20 0 EGADMP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001006443435 1336506974 /nfs/dbraw/zinc/50/69/74/1336506974.db2.gz DRGUGNRODKZSRH-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007497473 1336657884 /nfs/dbraw/zinc/65/78/84/1336657884.db2.gz COJCVJITIYAWSR-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001007497473 1336657887 /nfs/dbraw/zinc/65/78/87/1336657887.db2.gz COJCVJITIYAWSR-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001007497473 1336657890 /nfs/dbraw/zinc/65/78/90/1336657890.db2.gz COJCVJITIYAWSR-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001007649650 1336683736 /nfs/dbraw/zinc/68/37/36/1336683736.db2.gz WMPMHPFBKBRVEY-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001007649650 1336683738 /nfs/dbraw/zinc/68/37/38/1336683738.db2.gz WMPMHPFBKBRVEY-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001007649650 1336683742 /nfs/dbraw/zinc/68/37/42/1336683742.db2.gz WMPMHPFBKBRVEY-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007746684 1336693584 /nfs/dbraw/zinc/69/35/84/1336693584.db2.gz NZXIYTNNHVQTKQ-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001007746684 1336693587 /nfs/dbraw/zinc/69/35/87/1336693587.db2.gz NZXIYTNNHVQTKQ-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001007746684 1336693591 /nfs/dbraw/zinc/69/35/91/1336693591.db2.gz NZXIYTNNHVQTKQ-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001007947434 1336737434 /nfs/dbraw/zinc/73/74/34/1336737434.db2.gz GEZAYAVYLCVHCP-QFBILLFUSA-N 2 1 348.450 3.290 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCC3CCCC3)C2)C1 ZINC001008274271 1336811482 /nfs/dbraw/zinc/81/14/82/1336811482.db2.gz FZOOGOQRWHYEFQ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCC3CCCC3)C2)C1 ZINC001008274271 1336811483 /nfs/dbraw/zinc/81/14/83/1336811483.db2.gz FZOOGOQRWHYEFQ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCC3CCCC3)C2)C1 ZINC001008274271 1336811484 /nfs/dbraw/zinc/81/14/84/1336811484.db2.gz FZOOGOQRWHYEFQ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001008344775 1336828487 /nfs/dbraw/zinc/82/84/87/1336828487.db2.gz SRUWOZXVEZERFZ-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001008344775 1336828489 /nfs/dbraw/zinc/82/84/89/1336828489.db2.gz SRUWOZXVEZERFZ-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001009052978 1336960897 /nfs/dbraw/zinc/96/08/97/1336960897.db2.gz VXHUBGIEJCKABL-LJQANCHMSA-N 2 1 349.563 3.124 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001009197256 1336985339 /nfs/dbraw/zinc/98/53/39/1336985339.db2.gz BVVSLZYYHZCMPG-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001009197256 1336985342 /nfs/dbraw/zinc/98/53/42/1336985342.db2.gz BVVSLZYYHZCMPG-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001009197256 1336985346 /nfs/dbraw/zinc/98/53/46/1336985346.db2.gz BVVSLZYYHZCMPG-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001009204104 1336985811 /nfs/dbraw/zinc/98/58/11/1336985811.db2.gz UFHBKPVAZSPMIW-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001009204104 1336985813 /nfs/dbraw/zinc/98/58/13/1336985813.db2.gz UFHBKPVAZSPMIW-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001009204104 1336985816 /nfs/dbraw/zinc/98/58/16/1336985816.db2.gz UFHBKPVAZSPMIW-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001009537520 1337035039 /nfs/dbraw/zinc/03/50/39/1337035039.db2.gz NKVFBKHKLRQXJU-RBUKOAKNSA-N 2 1 343.515 3.041 20 0 EGADMP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2csc(C)c2)C1 ZINC001009631368 1337049196 /nfs/dbraw/zinc/04/91/96/1337049196.db2.gz BNVBFXPEECAOKU-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2csc(C)c2)C1 ZINC001009631368 1337049198 /nfs/dbraw/zinc/04/91/98/1337049198.db2.gz BNVBFXPEECAOKU-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2csc(C)c2)C1 ZINC001009631368 1337049200 /nfs/dbraw/zinc/04/92/00/1337049200.db2.gz BNVBFXPEECAOKU-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2csc(C)c2)C1 ZINC001009631368 1337049202 /nfs/dbraw/zinc/04/92/02/1337049202.db2.gz BNVBFXPEECAOKU-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001009631353 1337049326 /nfs/dbraw/zinc/04/93/26/1337049326.db2.gz AZRXDDMSSQPRNO-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001009631353 1337049331 /nfs/dbraw/zinc/04/93/31/1337049331.db2.gz AZRXDDMSSQPRNO-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001009631353 1337049335 /nfs/dbraw/zinc/04/93/35/1337049335.db2.gz AZRXDDMSSQPRNO-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001009639621 1337050863 /nfs/dbraw/zinc/05/08/63/1337050863.db2.gz YSPWGKBEXWIJAU-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001009639621 1337050867 /nfs/dbraw/zinc/05/08/67/1337050867.db2.gz YSPWGKBEXWIJAU-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001009639621 1337050869 /nfs/dbraw/zinc/05/08/69/1337050869.db2.gz YSPWGKBEXWIJAU-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2c[nH]c3c2cccc3Br)C1 ZINC001206633117 1371114291 /nfs/dbraw/zinc/11/42/91/1371114291.db2.gz TXGZGDOAEXVEKY-GFCCVEGCSA-N 2 1 336.277 3.491 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2c[nH]c3c2cccc3Br)C1 ZINC001206633117 1371114295 /nfs/dbraw/zinc/11/42/95/1371114295.db2.gz TXGZGDOAEXVEKY-GFCCVEGCSA-N 2 1 336.277 3.491 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433444 1337776598 /nfs/dbraw/zinc/77/65/98/1337776598.db2.gz KJNWBGQKHRPCQV-MSOLQXFVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014433444 1337776601 /nfs/dbraw/zinc/77/66/01/1337776601.db2.gz KJNWBGQKHRPCQV-MSOLQXFVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014433444 1337776603 /nfs/dbraw/zinc/77/66/03/1337776603.db2.gz KJNWBGQKHRPCQV-MSOLQXFVSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014434474 1337777291 /nfs/dbraw/zinc/77/72/91/1337777291.db2.gz MJRMGJFTPKLFMK-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014434474 1337777293 /nfs/dbraw/zinc/77/72/93/1337777293.db2.gz MJRMGJFTPKLFMK-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014434474 1337777297 /nfs/dbraw/zinc/77/72/97/1337777297.db2.gz MJRMGJFTPKLFMK-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001014593188 1337840782 /nfs/dbraw/zinc/84/07/82/1337840782.db2.gz HGDXKMXVICEPRR-OAHLLOKOSA-N 2 1 337.533 3.050 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001014593188 1337840786 /nfs/dbraw/zinc/84/07/86/1337840786.db2.gz HGDXKMXVICEPRR-OAHLLOKOSA-N 2 1 337.533 3.050 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001014706752 1337877152 /nfs/dbraw/zinc/87/71/52/1337877152.db2.gz ROMQQMRWDNMOJV-PMACEKPBSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001014706752 1337877154 /nfs/dbraw/zinc/87/71/54/1337877154.db2.gz ROMQQMRWDNMOJV-PMACEKPBSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001014706752 1337877157 /nfs/dbraw/zinc/87/71/57/1337877157.db2.gz ROMQQMRWDNMOJV-PMACEKPBSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1)[NH+]1CCCC1 ZINC001015499127 1338160189 /nfs/dbraw/zinc/16/01/89/1338160189.db2.gz NXEJSOAKVFOESB-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](CCC3CCCCCC3)C2)CC[N@H+]1C ZINC001015614954 1338208552 /nfs/dbraw/zinc/20/85/52/1338208552.db2.gz HTSVBZPWOQXGOQ-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+](CCC3CCCCCC3)C2)CC[NH+]1C ZINC001015614954 1338208555 /nfs/dbraw/zinc/20/85/55/1338208555.db2.gz HTSVBZPWOQXGOQ-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC3CCCCCC3)C2)CC[NH+]1C ZINC001015614954 1338208558 /nfs/dbraw/zinc/20/85/58/1338208558.db2.gz HTSVBZPWOQXGOQ-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001015794644 1338314071 /nfs/dbraw/zinc/31/40/71/1338314071.db2.gz IPGYJVUAGOBMFE-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)cs1 ZINC001015794855 1338314369 /nfs/dbraw/zinc/31/43/69/1338314369.db2.gz JOPXRDVHMSFOIG-AEFFLSMTSA-N 2 1 349.544 3.012 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015796223 1338315552 /nfs/dbraw/zinc/31/55/52/1338315552.db2.gz WCTCWYIXBQYSIT-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001015971353 1338384036 /nfs/dbraw/zinc/38/40/36/1338384036.db2.gz AFICCRPQVWLRCY-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001015971353 1338384039 /nfs/dbraw/zinc/38/40/39/1338384039.db2.gz AFICCRPQVWLRCY-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001015971353 1338384043 /nfs/dbraw/zinc/38/40/43/1338384043.db2.gz AFICCRPQVWLRCY-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCCCCC1)CC2 ZINC001016544406 1338640378 /nfs/dbraw/zinc/64/03/78/1338640378.db2.gz WMBGCHMSWJDRPF-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016702135 1338695930 /nfs/dbraw/zinc/69/59/30/1338695930.db2.gz LBHDCSNXKFSZRZ-OALUTQOASA-N 2 1 349.563 3.124 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 ZINC001017122076 1338879733 /nfs/dbraw/zinc/87/97/33/1338879733.db2.gz YYXIMKLRERMPSZ-GOSISDBHSA-N 2 1 344.503 3.013 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001017139192 1338891655 /nfs/dbraw/zinc/89/16/55/1338891655.db2.gz SVAVRGGYUJTXIH-INIZCTEOSA-N 2 1 349.544 3.004 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001017146762 1338896676 /nfs/dbraw/zinc/89/66/76/1338896676.db2.gz RHZHVDKIRVIOGU-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCC1)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001017146762 1338896681 /nfs/dbraw/zinc/89/66/81/1338896681.db2.gz RHZHVDKIRVIOGU-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCC1)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001017146762 1338896687 /nfs/dbraw/zinc/89/66/87/1338896687.db2.gz RHZHVDKIRVIOGU-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001017706967 1339395849 /nfs/dbraw/zinc/39/58/49/1339395849.db2.gz YHVIXAJQQQHIJG-CALCHBBNSA-N 2 1 340.471 3.059 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001018873487 1339741370 /nfs/dbraw/zinc/74/13/70/1339741370.db2.gz RFMTVHZAXMIMJW-WMZOPIPTSA-N 2 1 344.503 3.088 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001028181282 1340472092 /nfs/dbraw/zinc/47/20/92/1340472092.db2.gz QFRIEQGNODKRBT-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001028181282 1340472094 /nfs/dbraw/zinc/47/20/94/1340472094.db2.gz QFRIEQGNODKRBT-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001028181282 1340472096 /nfs/dbraw/zinc/47/20/96/1340472096.db2.gz QFRIEQGNODKRBT-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC=C(C)C ZINC001028251651 1340513039 /nfs/dbraw/zinc/51/30/39/1340513039.db2.gz IUXOFOICUTZGQP-MOPGFXCFSA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC=C(C)C ZINC001028251651 1340513042 /nfs/dbraw/zinc/51/30/42/1340513042.db2.gz IUXOFOICUTZGQP-MOPGFXCFSA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC=C(C)C ZINC001028251651 1340513047 /nfs/dbraw/zinc/51/30/47/1340513047.db2.gz IUXOFOICUTZGQP-MOPGFXCFSA-N 2 1 335.536 3.188 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1 ZINC001028333510 1340571243 /nfs/dbraw/zinc/57/12/43/1340571243.db2.gz MNLLHUGMBRUXGG-LJQANCHMSA-N 2 1 343.515 3.133 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCC1 ZINC001028335172 1340572938 /nfs/dbraw/zinc/57/29/38/1340572938.db2.gz OZWGJVWHESSEOR-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC001028335172 1340572940 /nfs/dbraw/zinc/57/29/40/1340572940.db2.gz OZWGJVWHESSEOR-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCCC1 ZINC001028335172 1340572944 /nfs/dbraw/zinc/57/29/44/1340572944.db2.gz OZWGJVWHESSEOR-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001028579546 1340712553 /nfs/dbraw/zinc/71/25/53/1340712553.db2.gz GVJXYJVDILSPQK-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001028579546 1340712555 /nfs/dbraw/zinc/71/25/55/1340712555.db2.gz GVJXYJVDILSPQK-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001028579546 1340712557 /nfs/dbraw/zinc/71/25/57/1340712557.db2.gz GVJXYJVDILSPQK-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001028646806 1340742595 /nfs/dbraw/zinc/74/25/95/1340742595.db2.gz AUNBHFAGRJKYNG-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001028646806 1340742599 /nfs/dbraw/zinc/74/25/99/1340742599.db2.gz AUNBHFAGRJKYNG-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001028646806 1340742603 /nfs/dbraw/zinc/74/26/03/1340742603.db2.gz AUNBHFAGRJKYNG-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001028902475 1340879193 /nfs/dbraw/zinc/87/91/93/1340879193.db2.gz WQPQLVUNAJLZNG-LJQANCHMSA-N 2 1 347.547 3.045 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001029003251 1340905347 /nfs/dbraw/zinc/90/53/47/1340905347.db2.gz JRSLDZOMJJUCCM-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001029003251 1340905348 /nfs/dbraw/zinc/90/53/48/1340905348.db2.gz JRSLDZOMJJUCCM-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001029003251 1340905349 /nfs/dbraw/zinc/90/53/49/1340905349.db2.gz JRSLDZOMJJUCCM-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001029108405 1340931693 /nfs/dbraw/zinc/93/16/93/1340931693.db2.gz HLVKODTUSSRUDQ-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001029306284 1340969794 /nfs/dbraw/zinc/96/97/94/1340969794.db2.gz OKWQIKTZLXROJQ-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001029306284 1340969795 /nfs/dbraw/zinc/96/97/95/1340969795.db2.gz OKWQIKTZLXROJQ-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001029306284 1340969796 /nfs/dbraw/zinc/96/97/96/1340969796.db2.gz OKWQIKTZLXROJQ-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001029503022 1341002597 /nfs/dbraw/zinc/00/25/97/1341002597.db2.gz HAKHJVGHTZEVHJ-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001029598537 1341019138 /nfs/dbraw/zinc/01/91/38/1341019138.db2.gz IVDUNVRJLWRTNY-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001029598537 1341019139 /nfs/dbraw/zinc/01/91/39/1341019139.db2.gz IVDUNVRJLWRTNY-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001029598537 1341019140 /nfs/dbraw/zinc/01/91/40/1341019140.db2.gz IVDUNVRJLWRTNY-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001029598538 1341019167 /nfs/dbraw/zinc/01/91/67/1341019167.db2.gz IVDUNVRJLWRTNY-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001029598538 1341019168 /nfs/dbraw/zinc/01/91/68/1341019168.db2.gz IVDUNVRJLWRTNY-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001029598538 1341019169 /nfs/dbraw/zinc/01/91/69/1341019169.db2.gz IVDUNVRJLWRTNY-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029771188 1341069213 /nfs/dbraw/zinc/06/92/13/1341069213.db2.gz BOJZHUPNWQCEFS-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CCC1)C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001029771188 1341069215 /nfs/dbraw/zinc/06/92/15/1341069215.db2.gz BOJZHUPNWQCEFS-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CCC1)C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001029771188 1341069217 /nfs/dbraw/zinc/06/92/17/1341069217.db2.gz BOJZHUPNWQCEFS-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001029861546 1341099005 /nfs/dbraw/zinc/09/90/05/1341099005.db2.gz PPSBFUYPVCOQMW-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029861546 1341099006 /nfs/dbraw/zinc/09/90/06/1341099006.db2.gz PPSBFUYPVCOQMW-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029861546 1341099008 /nfs/dbraw/zinc/09/90/08/1341099008.db2.gz PPSBFUYPVCOQMW-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CCC2)C1)[NH+]1CCCCC1 ZINC001029910431 1341113871 /nfs/dbraw/zinc/11/38/71/1341113871.db2.gz LBKMBLWVXKIBHO-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C(=O)N1CCC(C[N@@H+](C)CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001029972323 1341139484 /nfs/dbraw/zinc/13/94/84/1341139484.db2.gz HNRCTDICNUNQPO-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030026426 1341160488 /nfs/dbraw/zinc/16/04/88/1341160488.db2.gz SSHYJLHFDSZSFI-NSHGMRRFSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030026426 1341160489 /nfs/dbraw/zinc/16/04/89/1341160489.db2.gz SSHYJLHFDSZSFI-NSHGMRRFSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030026426 1341160490 /nfs/dbraw/zinc/16/04/90/1341160490.db2.gz SSHYJLHFDSZSFI-NSHGMRRFSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030026426 1341160491 /nfs/dbraw/zinc/16/04/91/1341160491.db2.gz SSHYJLHFDSZSFI-NSHGMRRFSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001030026248 1341160598 /nfs/dbraw/zinc/16/05/98/1341160598.db2.gz QOFYIKIVZLYCJZ-SXLOBPIMSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001030026248 1341160599 /nfs/dbraw/zinc/16/05/99/1341160599.db2.gz QOFYIKIVZLYCJZ-SXLOBPIMSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001030026248 1341160600 /nfs/dbraw/zinc/16/06/00/1341160600.db2.gz QOFYIKIVZLYCJZ-SXLOBPIMSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001030026248 1341160601 /nfs/dbraw/zinc/16/06/01/1341160601.db2.gz QOFYIKIVZLYCJZ-SXLOBPIMSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CC(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001030445455 1341188026 /nfs/dbraw/zinc/18/80/26/1341188026.db2.gz ZYNQQEASYVBGFH-XLIONFOSSA-N 2 1 343.515 3.119 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CC(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001030445455 1341188027 /nfs/dbraw/zinc/18/80/27/1341188027.db2.gz ZYNQQEASYVBGFH-XLIONFOSSA-N 2 1 343.515 3.119 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001031431613 1341341232 /nfs/dbraw/zinc/34/12/32/1341341232.db2.gz PUGOXRCJWRWDNL-IAGOWNOFSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C)c1ccccc1 ZINC001032803070 1341618763 /nfs/dbraw/zinc/61/87/63/1341618763.db2.gz FSUUWIJKTQQXTN-GBESFXJTSA-N 2 1 343.515 3.011 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C)c1ccccc1 ZINC001032803070 1341618764 /nfs/dbraw/zinc/61/87/64/1341618764.db2.gz FSUUWIJKTQQXTN-GBESFXJTSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033125450 1341733182 /nfs/dbraw/zinc/73/31/82/1341733182.db2.gz DYTZKJCITCSSAG-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033125450 1341733184 /nfs/dbraw/zinc/73/31/84/1341733184.db2.gz DYTZKJCITCSSAG-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033125450 1341733186 /nfs/dbraw/zinc/73/31/86/1341733186.db2.gz DYTZKJCITCSSAG-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033144674 1341738542 /nfs/dbraw/zinc/73/85/42/1341738542.db2.gz ACYLNSCIILJZMP-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033144674 1341738544 /nfs/dbraw/zinc/73/85/44/1341738544.db2.gz ACYLNSCIILJZMP-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033144674 1341738545 /nfs/dbraw/zinc/73/85/45/1341738545.db2.gz ACYLNSCIILJZMP-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001033265489 1341763410 /nfs/dbraw/zinc/76/34/10/1341763410.db2.gz ICTFKZAWMVRVDE-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001033265489 1341763412 /nfs/dbraw/zinc/76/34/12/1341763412.db2.gz ICTFKZAWMVRVDE-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366434 1341797863 /nfs/dbraw/zinc/79/78/63/1341797863.db2.gz XJZCIYOYPPIRGO-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033366434 1341797864 /nfs/dbraw/zinc/79/78/64/1341797864.db2.gz XJZCIYOYPPIRGO-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033366434 1341797865 /nfs/dbraw/zinc/79/78/65/1341797865.db2.gz XJZCIYOYPPIRGO-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033395361 1341812044 /nfs/dbraw/zinc/81/20/44/1341812044.db2.gz IDXPHHIKYANNMT-VQTJNVASSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001033466278 1341836825 /nfs/dbraw/zinc/83/68/25/1341836825.db2.gz CVHNESUQDLBTEO-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033467533 1341837826 /nfs/dbraw/zinc/83/78/26/1341837826.db2.gz QPWMIVKQRRNWLJ-GOSISDBHSA-N 2 1 344.503 3.040 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033467533 1341837827 /nfs/dbraw/zinc/83/78/27/1341837827.db2.gz QPWMIVKQRRNWLJ-GOSISDBHSA-N 2 1 344.503 3.040 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033472227 1341839803 /nfs/dbraw/zinc/83/98/03/1341839803.db2.gz UOYUAZZQGZTJMK-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033472227 1341839805 /nfs/dbraw/zinc/83/98/05/1341839805.db2.gz UOYUAZZQGZTJMK-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033472227 1341839806 /nfs/dbraw/zinc/83/98/06/1341839806.db2.gz UOYUAZZQGZTJMK-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033504381 1341849709 /nfs/dbraw/zinc/84/97/09/1341849709.db2.gz HCXCFMOBZFEKOQ-HXUWFJFHSA-N 2 1 343.515 3.085 20 0 EGADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033665738 1341934914 /nfs/dbraw/zinc/93/49/14/1341934914.db2.gz QEXLZELTPNJKCT-HOTGVXAUSA-N 2 1 349.906 3.030 20 0 EGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033665738 1341934917 /nfs/dbraw/zinc/93/49/17/1341934917.db2.gz QEXLZELTPNJKCT-HOTGVXAUSA-N 2 1 349.906 3.030 20 0 EGADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033665740 1341935145 /nfs/dbraw/zinc/93/51/45/1341935145.db2.gz QEXLZELTPNJKCT-JKSUJKDBSA-N 2 1 349.906 3.030 20 0 EGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033665740 1341935147 /nfs/dbraw/zinc/93/51/47/1341935147.db2.gz QEXLZELTPNJKCT-JKSUJKDBSA-N 2 1 349.906 3.030 20 0 EGADMP CN(C(=O)c1ccccc1C[NH+](C)C)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033680706 1341947484 /nfs/dbraw/zinc/94/74/84/1341947484.db2.gz MKHFOSHRBOTDNB-IBGZPJMESA-N 2 1 343.515 3.085 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001033825141 1342026558 /nfs/dbraw/zinc/02/65/58/1342026558.db2.gz AQOSHLBKFWAMIR-MSOLQXFVSA-N 2 1 349.544 3.044 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033825141 1342026560 /nfs/dbraw/zinc/02/65/60/1342026560.db2.gz AQOSHLBKFWAMIR-MSOLQXFVSA-N 2 1 349.544 3.044 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033825141 1342026562 /nfs/dbraw/zinc/02/65/62/1342026562.db2.gz AQOSHLBKFWAMIR-MSOLQXFVSA-N 2 1 349.544 3.044 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CCC(C)(C)C)C2)CC[N@H+]1C ZINC001033837434 1342035625 /nfs/dbraw/zinc/03/56/25/1342035625.db2.gz HWJUTEGJAVABEC-FGTMMUONSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@H+](CCC(C)(C)C)C2)CC[NH+]1C ZINC001033837434 1342035627 /nfs/dbraw/zinc/03/56/27/1342035627.db2.gz HWJUTEGJAVABEC-FGTMMUONSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@@H+](CCC(C)(C)C)C2)CC[NH+]1C ZINC001033837434 1342035629 /nfs/dbraw/zinc/03/56/29/1342035629.db2.gz HWJUTEGJAVABEC-FGTMMUONSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033990215 1342133492 /nfs/dbraw/zinc/13/34/92/1342133492.db2.gz SOUYVPDLDJXJQG-HXUWFJFHSA-N 2 1 345.531 3.331 20 0 EGADMP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001034004448 1342142392 /nfs/dbraw/zinc/14/23/92/1342142392.db2.gz NLEYSBNGGSJWBY-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001034129847 1342259498 /nfs/dbraw/zinc/25/94/98/1342259498.db2.gz DLPRVUTWEHUBGI-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001034129847 1342259500 /nfs/dbraw/zinc/25/95/00/1342259500.db2.gz DLPRVUTWEHUBGI-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001034129847 1342259506 /nfs/dbraw/zinc/25/95/06/1342259506.db2.gz DLPRVUTWEHUBGI-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCCCC2)C1 ZINC001034130536 1342259926 /nfs/dbraw/zinc/25/99/26/1342259926.db2.gz IGEHBUXFIGDXFR-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CCCCCC2)C1 ZINC001034130536 1342259928 /nfs/dbraw/zinc/25/99/28/1342259928.db2.gz IGEHBUXFIGDXFR-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CCCCCC2)C1 ZINC001034130536 1342259929 /nfs/dbraw/zinc/25/99/29/1342259929.db2.gz IGEHBUXFIGDXFR-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211054 1342320988 /nfs/dbraw/zinc/32/09/88/1342320988.db2.gz LEURAWQOVFDIHX-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034211054 1342320990 /nfs/dbraw/zinc/32/09/90/1342320990.db2.gz LEURAWQOVFDIHX-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034211054 1342320995 /nfs/dbraw/zinc/32/09/95/1342320995.db2.gz LEURAWQOVFDIHX-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034250295 1342346369 /nfs/dbraw/zinc/34/63/69/1342346369.db2.gz PMDQABXZUAZQRT-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCCC[N@H+](CCC2CC2)C1 ZINC001034250295 1342346372 /nfs/dbraw/zinc/34/63/72/1342346372.db2.gz PMDQABXZUAZQRT-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCCC[N@@H+](CCC2CC2)C1 ZINC001034250295 1342346374 /nfs/dbraw/zinc/34/63/74/1342346374.db2.gz PMDQABXZUAZQRT-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034248565 1342346841 /nfs/dbraw/zinc/34/68/41/1342346841.db2.gz DLZQCVRBTLKBCU-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034248565 1342346845 /nfs/dbraw/zinc/34/68/45/1342346845.db2.gz DLZQCVRBTLKBCU-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034248565 1342346846 /nfs/dbraw/zinc/34/68/46/1342346846.db2.gz DLZQCVRBTLKBCU-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034250294 1342347044 /nfs/dbraw/zinc/34/70/44/1342347044.db2.gz PMDQABXZUAZQRT-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[N@H+](CCC2CC2)C1 ZINC001034250294 1342347045 /nfs/dbraw/zinc/34/70/45/1342347045.db2.gz PMDQABXZUAZQRT-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[N@@H+](CCC2CC2)C1 ZINC001034250294 1342347046 /nfs/dbraw/zinc/34/70/46/1342347046.db2.gz PMDQABXZUAZQRT-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](CCC2=CCCCC2)C1 ZINC001034310442 1342392751 /nfs/dbraw/zinc/39/27/51/1342392751.db2.gz YDDYQPMSRJQBDH-IBGZPJMESA-N 2 1 344.503 3.053 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](CCC2=CCCCC2)C1 ZINC001034310442 1342392753 /nfs/dbraw/zinc/39/27/53/1342392753.db2.gz YDDYQPMSRJQBDH-IBGZPJMESA-N 2 1 344.503 3.053 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](CC2CC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001034366669 1342436538 /nfs/dbraw/zinc/43/65/38/1342436538.db2.gz CHFMSJLRYIXYPF-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCCC[NH+](CC2CC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001034366669 1342436542 /nfs/dbraw/zinc/43/65/42/1342436542.db2.gz CHFMSJLRYIXYPF-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCCC[NH+](CC2CC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001034366669 1342436545 /nfs/dbraw/zinc/43/65/45/1342436545.db2.gz CHFMSJLRYIXYPF-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCC3CCCC3)C2)CC[N@H+]1C ZINC001034370993 1342440259 /nfs/dbraw/zinc/44/02/59/1342440259.db2.gz PUBSVVUKPJRPKW-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCC3CCCC3)C2)CC[NH+]1C ZINC001034370993 1342440261 /nfs/dbraw/zinc/44/02/61/1342440261.db2.gz PUBSVVUKPJRPKW-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCC3CCCC3)C2)CC[NH+]1C ZINC001034370993 1342440263 /nfs/dbraw/zinc/44/02/63/1342440263.db2.gz PUBSVVUKPJRPKW-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034436719 1342499695 /nfs/dbraw/zinc/49/96/95/1342499695.db2.gz BIDAUIVKDILVGI-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034440019 1342501903 /nfs/dbraw/zinc/50/19/03/1342501903.db2.gz YIQYHGDKRVESOM-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034440019 1342501905 /nfs/dbraw/zinc/50/19/05/1342501905.db2.gz YIQYHGDKRVESOM-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034440019 1342501908 /nfs/dbraw/zinc/50/19/08/1342501908.db2.gz YIQYHGDKRVESOM-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001034463981 1342519352 /nfs/dbraw/zinc/51/93/52/1342519352.db2.gz WFSXQGWWCXJZQF-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034474541 1342529696 /nfs/dbraw/zinc/52/96/96/1342529696.db2.gz LQXYNXYMDUWBJI-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034480043 1342536472 /nfs/dbraw/zinc/53/64/72/1342536472.db2.gz DYHAMGTZTHJUIL-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CC2)C1 ZINC001034480043 1342536474 /nfs/dbraw/zinc/53/64/74/1342536474.db2.gz DYHAMGTZTHJUIL-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CC2)C1 ZINC001034480043 1342536478 /nfs/dbraw/zinc/53/64/78/1342536478.db2.gz DYHAMGTZTHJUIL-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](CCCC2CCCC2)C1)C12CC[NH+](CC1)C2 ZINC001034487615 1342546149 /nfs/dbraw/zinc/54/61/49/1342546149.db2.gz PKEIEDAKNJRUFF-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP CC[C@H](F)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538042 1342594569 /nfs/dbraw/zinc/59/45/69/1342594569.db2.gz PYSCOFKHPDOAQJ-RBUKOAKNSA-N 2 1 349.494 3.081 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](CC3CC3)C2)o1 ZINC001034545707 1342608482 /nfs/dbraw/zinc/60/84/82/1342608482.db2.gz WBZVNXOWUVTLEY-KRWDZBQOSA-N 2 1 347.503 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC001034659674 1342675880 /nfs/dbraw/zinc/67/58/80/1342675880.db2.gz XHILLLOFBCUXRJ-FHWLQOOXSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1 ZINC001034662376 1342677445 /nfs/dbraw/zinc/67/74/45/1342677445.db2.gz GJHLVGPLJXKONS-FHWLQOOXSA-N 2 1 335.536 3.066 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCCC3)CC2)C1 ZINC001034733865 1342728231 /nfs/dbraw/zinc/72/82/31/1342728231.db2.gz FZGIXSPLQXVLKF-MISYRCLQSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034749261 1342737439 /nfs/dbraw/zinc/73/74/39/1342737439.db2.gz JQOGCEHJSPSHMP-UFYCRDLUSA-N 2 1 349.563 3.457 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034792101 1342761265 /nfs/dbraw/zinc/76/12/65/1342761265.db2.gz FALNBQNOYOZYOZ-RDGPPVDQSA-N 2 1 343.515 3.025 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001034958268 1342852998 /nfs/dbraw/zinc/85/29/98/1342852998.db2.gz FSZSHJGKOLGTOV-WOJBJXKFSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001035073587 1342912391 /nfs/dbraw/zinc/91/23/91/1342912391.db2.gz SOEUCFUJSRTUBZ-QFBILLFUSA-N 2 1 346.519 3.139 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035184616 1342999604 /nfs/dbraw/zinc/99/96/04/1342999604.db2.gz FQFNUADDGXIFIQ-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035184616 1342999605 /nfs/dbraw/zinc/99/96/05/1342999605.db2.gz FQFNUADDGXIFIQ-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035184616 1342999607 /nfs/dbraw/zinc/99/96/07/1342999607.db2.gz FQFNUADDGXIFIQ-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035198851 1343012429 /nfs/dbraw/zinc/01/24/29/1343012429.db2.gz AOJWSZMROFNFFG-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035198851 1343012433 /nfs/dbraw/zinc/01/24/33/1343012433.db2.gz AOJWSZMROFNFFG-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035198851 1343012438 /nfs/dbraw/zinc/01/24/38/1343012438.db2.gz AOJWSZMROFNFFG-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)CC2 ZINC001035198850 1343012870 /nfs/dbraw/zinc/01/28/70/1343012870.db2.gz AOJWSZMROFNFFG-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035198850 1343012873 /nfs/dbraw/zinc/01/28/73/1343012873.db2.gz AOJWSZMROFNFFG-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035198850 1343012879 /nfs/dbraw/zinc/01/28/79/1343012879.db2.gz AOJWSZMROFNFFG-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)CC2 ZINC001035200599 1343013389 /nfs/dbraw/zinc/01/33/89/1343013389.db2.gz CLEAQTQOOQGUCL-UHFFFAOYSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC2(C1)CCN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)CC2 ZINC001035200599 1343013394 /nfs/dbraw/zinc/01/33/94/1343013394.db2.gz CLEAQTQOOQGUCL-UHFFFAOYSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC2(C1)CCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)CC2 ZINC001035200599 1343013395 /nfs/dbraw/zinc/01/33/95/1343013395.db2.gz CLEAQTQOOQGUCL-UHFFFAOYSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001036418897 1343474972 /nfs/dbraw/zinc/47/49/72/1343474972.db2.gz GVMSYKUUGCVBSW-IAGOWNOFSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036793944 1343726795 /nfs/dbraw/zinc/72/67/95/1343726795.db2.gz NDPIOGCBTXRUEX-QZTJIDSGSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036842080 1343781140 /nfs/dbraw/zinc/78/11/40/1343781140.db2.gz JXHVUFWBPCHSBR-UXHICEINSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036904503 1343851536 /nfs/dbraw/zinc/85/15/36/1343851536.db2.gz SQZNGLFGGSFDAD-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001037045515 1343947199 /nfs/dbraw/zinc/94/71/99/1343947199.db2.gz VOLLWSQAXPSXGZ-MOPGFXCFSA-N 2 1 346.519 3.036 20 0 EGADMP CC[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1[NH2+]C(C)C ZINC001037937375 1344191779 /nfs/dbraw/zinc/19/17/79/1344191779.db2.gz WJZOUVLKWBWMHW-DLBZAZTESA-N 2 1 334.508 3.022 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCC1 ZINC001038314451 1344375521 /nfs/dbraw/zinc/37/55/21/1344375521.db2.gz KVFYJFLTBSXFCJ-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@H+]1CCCC1CCC1 ZINC001038314451 1344375528 /nfs/dbraw/zinc/37/55/28/1344375528.db2.gz KVFYJFLTBSXFCJ-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CC2CCCCCC2)C1 ZINC001038341248 1344388209 /nfs/dbraw/zinc/38/82/09/1344388209.db2.gz QFUSTAJDOVLRLX-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CC2CCCCCC2)C1 ZINC001038341248 1344388217 /nfs/dbraw/zinc/38/82/17/1344388217.db2.gz QFUSTAJDOVLRLX-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2CC2CCCCCC2)C1 ZINC001038341248 1344388219 /nfs/dbraw/zinc/38/82/19/1344388219.db2.gz QFUSTAJDOVLRLX-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038706247 1344548103 /nfs/dbraw/zinc/54/81/03/1344548103.db2.gz SOBJVYYPAPMIQE-FQEVSTJZSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001038780502 1344581738 /nfs/dbraw/zinc/58/17/38/1344581738.db2.gz LKQRMULBSFVBBD-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001038780502 1344581741 /nfs/dbraw/zinc/58/17/41/1344581741.db2.gz LKQRMULBSFVBBD-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCC1 ZINC001038780502 1344581745 /nfs/dbraw/zinc/58/17/45/1344581745.db2.gz LKQRMULBSFVBBD-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001038782914 1344582041 /nfs/dbraw/zinc/58/20/41/1344582041.db2.gz VOLUPZGBRIRNLG-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001038782914 1344582042 /nfs/dbraw/zinc/58/20/42/1344582042.db2.gz VOLUPZGBRIRNLG-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001038782914 1344582045 /nfs/dbraw/zinc/58/20/45/1344582045.db2.gz VOLUPZGBRIRNLG-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001039046655 1344733214 /nfs/dbraw/zinc/73/32/14/1344733214.db2.gz AKLBMDQHWCFCCB-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001039046655 1344733216 /nfs/dbraw/zinc/73/32/16/1344733216.db2.gz AKLBMDQHWCFCCB-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001039046655 1344733219 /nfs/dbraw/zinc/73/32/19/1344733219.db2.gz AKLBMDQHWCFCCB-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001039386996 1345039855 /nfs/dbraw/zinc/03/98/55/1345039855.db2.gz NNKSHFQRKKNSLV-AQNXPRMDSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001039386996 1345039858 /nfs/dbraw/zinc/03/98/58/1345039858.db2.gz NNKSHFQRKKNSLV-AQNXPRMDSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001039386996 1345039862 /nfs/dbraw/zinc/03/98/62/1345039862.db2.gz NNKSHFQRKKNSLV-AQNXPRMDSA-N 2 1 347.547 3.281 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001039473980 1345088679 /nfs/dbraw/zinc/08/86/79/1345088679.db2.gz LJSDOXOOTQVJGJ-AABGKKOBSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001039473980 1345088680 /nfs/dbraw/zinc/08/86/80/1345088680.db2.gz LJSDOXOOTQVJGJ-AABGKKOBSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001039473980 1345088682 /nfs/dbraw/zinc/08/86/82/1345088682.db2.gz LJSDOXOOTQVJGJ-AABGKKOBSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H](C(=O)N1CCC([N@@H+](CC2CC2)CC2CC(C)C2)CC1)[NH+](C)C ZINC001039489458 1345108364 /nfs/dbraw/zinc/10/83/64/1345108364.db2.gz YHSUWTIWDDCTEW-NLPFYKDJSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001040227650 1345385299 /nfs/dbraw/zinc/38/52/99/1345385299.db2.gz HYKHOMGVNBEOOO-LJQANCHMSA-N 2 1 349.544 3.146 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCC1)C2)[NH+](C)C ZINC001040251370 1345395977 /nfs/dbraw/zinc/39/59/77/1345395977.db2.gz XLLKUBGULWTJRW-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040295484 1345417857 /nfs/dbraw/zinc/41/78/57/1345417857.db2.gz GEQARRYXCYIJNX-HXUWFJFHSA-N 2 1 340.471 3.063 20 0 EGADMP CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001040349726 1345447823 /nfs/dbraw/zinc/44/78/23/1345447823.db2.gz IXNULSIGODTCLL-FPOVZHCZSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001040349726 1345447827 /nfs/dbraw/zinc/44/78/27/1345447827.db2.gz IXNULSIGODTCLL-FPOVZHCZSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001040349726 1345447829 /nfs/dbraw/zinc/44/78/29/1345447829.db2.gz IXNULSIGODTCLL-FPOVZHCZSA-N 2 1 347.547 3.118 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040432249 1345494665 /nfs/dbraw/zinc/49/46/65/1345494665.db2.gz NLAMWOCROZDPRG-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040699554 1345567151 /nfs/dbraw/zinc/56/71/51/1345567151.db2.gz AZYGBZFJNMVUGJ-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001040875051 1345592022 /nfs/dbraw/zinc/59/20/22/1345592022.db2.gz QHQIUVLIAYYLBT-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)CC1 ZINC001040874999 1345592242 /nfs/dbraw/zinc/59/22/42/1345592242.db2.gz OIRACPSVJACFOM-UHFFFAOYSA-N 2 1 346.519 3.121 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041756417 1345840986 /nfs/dbraw/zinc/84/09/86/1345840986.db2.gz HOEVAFKLQDVGMP-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042124603 1345950511 /nfs/dbraw/zinc/95/05/11/1345950511.db2.gz IQTGSUMYTAYYOH-HKUYNNGSSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC001042124603 1345950512 /nfs/dbraw/zinc/95/05/12/1345950512.db2.gz IQTGSUMYTAYYOH-HKUYNNGSSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001042124603 1345950513 /nfs/dbraw/zinc/95/05/13/1345950513.db2.gz IQTGSUMYTAYYOH-HKUYNNGSSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042186111 1345973271 /nfs/dbraw/zinc/97/32/71/1345973271.db2.gz CZYNEAFHARWHNE-MSOLQXFVSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001042711724 1346108552 /nfs/dbraw/zinc/10/85/52/1346108552.db2.gz XTJBONXXDFUZOG-UXHICEINSA-N 2 1 343.515 3.153 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001042711724 1346108554 /nfs/dbraw/zinc/10/85/54/1346108554.db2.gz XTJBONXXDFUZOG-UXHICEINSA-N 2 1 343.515 3.153 20 0 EGADMP CC1CC[NH+](CC(=O)N(C)C2C[NH+](CC[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC001044086182 1346244858 /nfs/dbraw/zinc/24/48/58/1346244858.db2.gz PFCQIJXGKLCIAF-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044630352 1346387602 /nfs/dbraw/zinc/38/76/02/1346387602.db2.gz VURIZRPUFLZGAV-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C[C@@H]1C ZINC001044684371 1346402803 /nfs/dbraw/zinc/40/28/03/1346402803.db2.gz JISTXJUDABWRGH-LPHOPBHVSA-N 2 1 344.503 3.051 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001045229599 1346536355 /nfs/dbraw/zinc/53/63/55/1346536355.db2.gz RBKUJECRYPVPKV-ROUUACIJSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001045229600 1346536470 /nfs/dbraw/zinc/53/64/70/1346536470.db2.gz RBKUJECRYPVPKV-ZWKOTPCHSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CC2CCCC2)CC1 ZINC001045438130 1346594264 /nfs/dbraw/zinc/59/42/64/1346594264.db2.gz JZLMDRDMVLVUPF-SFHVURJKSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001045474847 1346602514 /nfs/dbraw/zinc/60/25/14/1346602514.db2.gz BTVSYENUTAEWDH-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1(C)CC[NH+](CC2CCCCCC2)CC1 ZINC001045529319 1346618619 /nfs/dbraw/zinc/61/86/19/1346618619.db2.gz PUOBJKXVNNTGCG-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001045640381 1346656040 /nfs/dbraw/zinc/65/60/40/1346656040.db2.gz PATGKTYWKYGANY-MOPGFXCFSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001045789870 1346699056 /nfs/dbraw/zinc/69/90/56/1346699056.db2.gz XEOFYCVBOVSNDD-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001045789870 1346699057 /nfs/dbraw/zinc/69/90/57/1346699057.db2.gz XEOFYCVBOVSNDD-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001045789870 1346699059 /nfs/dbraw/zinc/69/90/59/1346699059.db2.gz XEOFYCVBOVSNDD-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001045792919 1346699872 /nfs/dbraw/zinc/69/98/72/1346699872.db2.gz JUBTZNDOIPQVDD-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001045792919 1346699875 /nfs/dbraw/zinc/69/98/75/1346699875.db2.gz JUBTZNDOIPQVDD-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001045792919 1346699877 /nfs/dbraw/zinc/69/98/77/1346699877.db2.gz JUBTZNDOIPQVDD-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001045803530 1346702711 /nfs/dbraw/zinc/70/27/11/1346702711.db2.gz XNSNMKPCCGKGNU-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001045803530 1346702713 /nfs/dbraw/zinc/70/27/13/1346702713.db2.gz XNSNMKPCCGKGNU-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001045803530 1346702718 /nfs/dbraw/zinc/70/27/18/1346702718.db2.gz XNSNMKPCCGKGNU-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943939 1346778957 /nfs/dbraw/zinc/77/89/57/1346778957.db2.gz RSLKROFNQKVWQM-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001045943939 1346778960 /nfs/dbraw/zinc/77/89/60/1346778960.db2.gz RSLKROFNQKVWQM-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001045943939 1346778963 /nfs/dbraw/zinc/77/89/63/1346778963.db2.gz RSLKROFNQKVWQM-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943988 1346779082 /nfs/dbraw/zinc/77/90/82/1346779082.db2.gz UFUFDPDFPGUQTC-FQEVSTJZSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045964989 1346800303 /nfs/dbraw/zinc/80/03/03/1346800303.db2.gz BBJFHDQRSACAPG-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001045964989 1346800305 /nfs/dbraw/zinc/80/03/05/1346800305.db2.gz BBJFHDQRSACAPG-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001045964989 1346800307 /nfs/dbraw/zinc/80/03/07/1346800307.db2.gz BBJFHDQRSACAPG-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986188 1346827383 /nfs/dbraw/zinc/82/73/83/1346827383.db2.gz JLVKPBOOQFSYCW-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001045986188 1346827386 /nfs/dbraw/zinc/82/73/86/1346827386.db2.gz JLVKPBOOQFSYCW-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001045986188 1346827387 /nfs/dbraw/zinc/82/73/87/1346827387.db2.gz JLVKPBOOQFSYCW-TZIWHRDSSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CCC2CCCC2)C1 ZINC001046316061 1346932115 /nfs/dbraw/zinc/93/21/15/1346932115.db2.gz NDOAECRLWMJSJK-UYAOXDASSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CCC2CCCC2)C1 ZINC001046316061 1346932116 /nfs/dbraw/zinc/93/21/16/1346932116.db2.gz NDOAECRLWMJSJK-UYAOXDASSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CCC2CCCC2)C1 ZINC001046316061 1346932118 /nfs/dbraw/zinc/93/21/18/1346932118.db2.gz NDOAECRLWMJSJK-UYAOXDASSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319830 1346933529 /nfs/dbraw/zinc/93/35/29/1346933529.db2.gz XCMRJTAJGNEMDM-WIYYLYMNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319830 1346933531 /nfs/dbraw/zinc/93/35/31/1346933531.db2.gz XCMRJTAJGNEMDM-WIYYLYMNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319830 1346933533 /nfs/dbraw/zinc/93/35/33/1346933533.db2.gz XCMRJTAJGNEMDM-WIYYLYMNSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001047258149 1347281218 /nfs/dbraw/zinc/28/12/18/1347281218.db2.gz YEJGYNZMLODNOC-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC001047863396 1347393309 /nfs/dbraw/zinc/39/33/09/1347393309.db2.gz CUXVOGSSWNOSSX-WMZOPIPTSA-N 2 1 346.519 3.139 20 0 EGADMP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047971201 1347429212 /nfs/dbraw/zinc/42/92/12/1347429212.db2.gz CIEUWWRGFDJDNG-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)CC1 ZINC001048602216 1347614467 /nfs/dbraw/zinc/61/44/67/1347614467.db2.gz LFKXCZGRHCKXMO-UFYCRDLUSA-N 2 1 347.547 3.093 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001048609741 1347617476 /nfs/dbraw/zinc/61/74/76/1347617476.db2.gz PDBRVEPPSLYWCR-VAMGGRTRSA-N 2 1 349.563 3.029 20 0 EGADMP CC1CC(C[NH2+]C[C@H]2CC[C@H](CNC(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001048610422 1347617846 /nfs/dbraw/zinc/61/78/46/1347617846.db2.gz HGFOPLIXORUOBF-DLGWEJLFSA-N 2 1 349.563 3.029 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]C(C)C)CC2)C1 ZINC001048615481 1347619550 /nfs/dbraw/zinc/61/95/50/1347619550.db2.gz HYNQELBMKUJWQR-FHWLQOOXSA-N 2 1 337.552 3.029 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(C)C ZINC001049483995 1347870811 /nfs/dbraw/zinc/87/08/11/1347870811.db2.gz DUBADXOMGDIPAS-KURKYZTESA-N 2 1 346.519 3.118 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(C)C ZINC001049483995 1347870812 /nfs/dbraw/zinc/87/08/12/1347870812.db2.gz DUBADXOMGDIPAS-KURKYZTESA-N 2 1 346.519 3.118 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC001049537527 1347897578 /nfs/dbraw/zinc/89/75/78/1347897578.db2.gz RHZYLNOOXMTJPD-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCC1 ZINC001049537527 1347897579 /nfs/dbraw/zinc/89/75/79/1347897579.db2.gz RHZYLNOOXMTJPD-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCC1 ZINC001049537527 1347897581 /nfs/dbraw/zinc/89/75/81/1347897581.db2.gz RHZYLNOOXMTJPD-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001049548132 1347902927 /nfs/dbraw/zinc/90/29/27/1347902927.db2.gz CPIBONFWKGIVEC-AABGKKOBSA-N 2 1 347.547 3.282 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001049548135 1347902959 /nfs/dbraw/zinc/90/29/59/1347902959.db2.gz CPIBONFWKGIVEC-AQNXPRMDSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049565057 1347912804 /nfs/dbraw/zinc/91/28/04/1347912804.db2.gz SEIATEKAGFJQFM-MOPGFXCFSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049565057 1347912807 /nfs/dbraw/zinc/91/28/07/1347912807.db2.gz SEIATEKAGFJQFM-MOPGFXCFSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049565057 1347912808 /nfs/dbraw/zinc/91/28/08/1347912808.db2.gz SEIATEKAGFJQFM-MOPGFXCFSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CCCC1)[NH+](C)C ZINC001049709785 1347985576 /nfs/dbraw/zinc/98/55/76/1347985576.db2.gz JNMVWVYNHIRHDV-VAMGGRTRSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CCCCC1)[NH+](C)C ZINC001049726665 1347991454 /nfs/dbraw/zinc/99/14/54/1347991454.db2.gz GGXPOPZCZZXZJC-UFYCRDLUSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049752045 1348000716 /nfs/dbraw/zinc/00/07/16/1348000716.db2.gz FMNSYGCYYYYWFE-OKZBNKHCSA-N 2 1 346.519 3.118 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049752045 1348000720 /nfs/dbraw/zinc/00/07/20/1348000720.db2.gz FMNSYGCYYYYWFE-OKZBNKHCSA-N 2 1 346.519 3.118 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049765793 1348009455 /nfs/dbraw/zinc/00/94/55/1348009455.db2.gz HZDYOZWXFJYYRR-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049787095 1348021825 /nfs/dbraw/zinc/02/18/25/1348021825.db2.gz DZTGTTXQPRJQDM-PMACEKPBSA-N 2 1 343.515 3.227 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CCCCC1 ZINC001049898215 1348099281 /nfs/dbraw/zinc/09/92/81/1348099281.db2.gz XOQBCNWHKHAZHK-PMACEKPBSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049915547 1348110116 /nfs/dbraw/zinc/11/01/16/1348110116.db2.gz VYYBFPPBUXHDPH-XUVXKRRUSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049915547 1348110117 /nfs/dbraw/zinc/11/01/17/1348110117.db2.gz VYYBFPPBUXHDPH-XUVXKRRUSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049919386 1348112924 /nfs/dbraw/zinc/11/29/24/1348112924.db2.gz OSNPHRQPCMTGGF-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21)[NH+](C)C ZINC001050144378 1348194934 /nfs/dbraw/zinc/19/49/34/1348194934.db2.gz JWNATXWSEGXQKK-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001050270931 1348224128 /nfs/dbraw/zinc/22/41/28/1348224128.db2.gz BKAOPGDJKUIVJI-APWZRJJASA-N 2 1 331.504 3.236 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001050325979 1348228191 /nfs/dbraw/zinc/22/81/91/1348228191.db2.gz PVVADKXSPQPGHD-VAMGGRTRSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001050519099 1348283056 /nfs/dbraw/zinc/28/30/56/1348283056.db2.gz GBHCJDUYILLCIM-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001079850952 1357400545 /nfs/dbraw/zinc/40/05/45/1357400545.db2.gz WFFDVPNOPCHMCP-QRQLOZEOSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001079850952 1357400548 /nfs/dbraw/zinc/40/05/48/1357400548.db2.gz WFFDVPNOPCHMCP-QRQLOZEOSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001079850952 1357400551 /nfs/dbraw/zinc/40/05/51/1357400551.db2.gz WFFDVPNOPCHMCP-QRQLOZEOSA-N 2 1 349.563 3.266 20 0 EGADMP CC1CC(C[N@H+]2CCC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001052377068 1348535209 /nfs/dbraw/zinc/53/52/09/1348535209.db2.gz MPBHJNIMUGJCKG-ACBHZAAOSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052446644 1348542912 /nfs/dbraw/zinc/54/29/12/1348542912.db2.gz MXAKYMBYWAKRHZ-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001052446644 1348542913 /nfs/dbraw/zinc/54/29/13/1348542913.db2.gz MXAKYMBYWAKRHZ-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001052446644 1348542914 /nfs/dbraw/zinc/54/29/14/1348542914.db2.gz MXAKYMBYWAKRHZ-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CCC[N@H+](CCC(C)C)CC2)ccc2c[nH+]cn21 ZINC001052506900 1348561687 /nfs/dbraw/zinc/56/16/87/1348561687.db2.gz NMZGPGKDRDBTFU-QGZVFWFLSA-N 2 1 342.487 3.273 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052531444 1348567639 /nfs/dbraw/zinc/56/76/39/1348567639.db2.gz IUAOCZKWBMYOBM-QGZVFWFLSA-N 2 1 342.487 3.355 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2CC2)CC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001052651872 1348614448 /nfs/dbraw/zinc/61/44/48/1348614448.db2.gz NYLFSEPXMNBXIJ-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CC2CC2)CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001052651872 1348614449 /nfs/dbraw/zinc/61/44/49/1348614449.db2.gz NYLFSEPXMNBXIJ-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CC2CC2)CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001052651872 1348614452 /nfs/dbraw/zinc/61/44/52/1348614452.db2.gz NYLFSEPXMNBXIJ-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC001052658030 1348617092 /nfs/dbraw/zinc/61/70/92/1348617092.db2.gz DYLYYXLHHSWERL-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)CC2)CC[NH+]1C ZINC001052658030 1348617095 /nfs/dbraw/zinc/61/70/95/1348617095.db2.gz DYLYYXLHHSWERL-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)CC2)CC[NH+]1C ZINC001052658030 1348617098 /nfs/dbraw/zinc/61/70/98/1348617098.db2.gz DYLYYXLHHSWERL-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CCCC3CCCC3)CC2)C1 ZINC001052712380 1348645252 /nfs/dbraw/zinc/64/52/52/1348645252.db2.gz HTFCLJOZXJUMFX-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCCC3CCCC3)CC2)C1 ZINC001052712380 1348645254 /nfs/dbraw/zinc/64/52/54/1348645254.db2.gz HTFCLJOZXJUMFX-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCCC3CCCC3)CC2)C1 ZINC001052712380 1348645256 /nfs/dbraw/zinc/64/52/56/1348645256.db2.gz HTFCLJOZXJUMFX-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)cs1 ZINC001052716871 1348646428 /nfs/dbraw/zinc/64/64/28/1348646428.db2.gz QDYYPBLWYGQCJW-YJBOKZPZSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)CC2)cs1 ZINC001052716871 1348646429 /nfs/dbraw/zinc/64/64/29/1348646429.db2.gz QDYYPBLWYGQCJW-YJBOKZPZSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)CC2)cs1 ZINC001052716871 1348646431 /nfs/dbraw/zinc/64/64/31/1348646431.db2.gz QDYYPBLWYGQCJW-YJBOKZPZSA-N 2 1 349.544 3.012 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C/C=C/Cl)CC2)cc1 ZINC001052787037 1348679669 /nfs/dbraw/zinc/67/96/69/1348679669.db2.gz HEOUTIGROVARQS-BIPIYRQYSA-N 2 1 349.906 3.085 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052788549 1348679956 /nfs/dbraw/zinc/67/99/56/1348679956.db2.gz SUFRNBXGVKLRES-PXNSSMCTSA-N 2 1 345.531 3.379 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CCC3CCCCCC3)CC2)C1 ZINC001052936223 1348755786 /nfs/dbraw/zinc/75/57/86/1348755786.db2.gz YXCUIEFVBOIXPN-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](CCC3CCCCCC3)CC2)C1 ZINC001052936223 1348755789 /nfs/dbraw/zinc/75/57/89/1348755789.db2.gz YXCUIEFVBOIXPN-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CCC3CCCCCC3)CC2)C1 ZINC001052936223 1348755792 /nfs/dbraw/zinc/75/57/92/1348755792.db2.gz YXCUIEFVBOIXPN-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001052937574 1348757047 /nfs/dbraw/zinc/75/70/47/1348757047.db2.gz MAXPFYVRBYCUHV-AZUAARDMSA-N 2 1 343.515 3.123 20 0 EGADMP CCCC[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052953712 1348768885 /nfs/dbraw/zinc/76/88/85/1348768885.db2.gz GQRFZYWVWQKVAE-IBGZPJMESA-N 2 1 331.504 3.133 20 0 EGADMP C/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](C[C@H](C)CC)CC1 ZINC001052990031 1348790702 /nfs/dbraw/zinc/79/07/02/1348790702.db2.gz IMZJVQQJOUTVIH-HCCBDMPISA-N 2 1 347.547 3.138 20 0 EGADMP CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001053089533 1348915610 /nfs/dbraw/zinc/91/56/10/1348915610.db2.gz BSFNLYPINRPSBM-LPHOPBHVSA-N 2 1 340.471 3.061 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053100943 1348934047 /nfs/dbraw/zinc/93/40/47/1348934047.db2.gz JXYCLWVLNWBVAR-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@]3(CC[NH+](CCC(C)(C)C)C3)C2)C1 ZINC001054197385 1349199252 /nfs/dbraw/zinc/19/92/52/1349199252.db2.gz ARPRJMZSUOHLQH-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@]3(CC[N@H+](CCC(C)(C)C)C3)C2)C1 ZINC001054197385 1349199260 /nfs/dbraw/zinc/19/92/60/1349199260.db2.gz ARPRJMZSUOHLQH-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)C1 ZINC001054197385 1349199263 /nfs/dbraw/zinc/19/92/63/1349199263.db2.gz ARPRJMZSUOHLQH-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC3=CCCCC3)C2)C1)[NH+](C)C ZINC001054199560 1349201293 /nfs/dbraw/zinc/20/12/93/1349201293.db2.gz ZNRJFMFEKZDGAQ-FPOVZHCZSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219554 1349216477 /nfs/dbraw/zinc/21/64/77/1349216477.db2.gz QFSRLNWPWINXLA-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219128 1349216609 /nfs/dbraw/zinc/21/66/09/1349216609.db2.gz HRLZICCNDASHTL-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cc2C1 ZINC001054266460 1349263756 /nfs/dbraw/zinc/26/37/56/1349263756.db2.gz WXHSTHUPOHESAB-RZQQEMMASA-N 2 1 343.515 3.005 20 0 EGADMP CC[C@H](C)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cc2C1 ZINC001054266460 1349263757 /nfs/dbraw/zinc/26/37/57/1349263757.db2.gz WXHSTHUPOHESAB-RZQQEMMASA-N 2 1 343.515 3.005 20 0 EGADMP CC[C@H](C)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cc2C1 ZINC001054266460 1349263758 /nfs/dbraw/zinc/26/37/58/1349263758.db2.gz WXHSTHUPOHESAB-RZQQEMMASA-N 2 1 343.515 3.005 20 0 EGADMP CC(C)[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)cc2C1 ZINC001054285187 1349287104 /nfs/dbraw/zinc/28/71/04/1349287104.db2.gz WLMLNEPFMUKKAK-HXUWFJFHSA-N 2 1 343.515 3.290 20 0 EGADMP CC(C)[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)cc2C1 ZINC001054285187 1349287107 /nfs/dbraw/zinc/28/71/07/1349287107.db2.gz WLMLNEPFMUKKAK-HXUWFJFHSA-N 2 1 343.515 3.290 20 0 EGADMP CC(C)[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@H+]3C(C)C)cc2C1 ZINC001054285187 1349287110 /nfs/dbraw/zinc/28/71/10/1349287110.db2.gz WLMLNEPFMUKKAK-HXUWFJFHSA-N 2 1 343.515 3.290 20 0 EGADMP CC(C)[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)cc2C1 ZINC001054289806 1349293912 /nfs/dbraw/zinc/29/39/12/1349293912.db2.gz RQKDKXWUZOZJNS-FXAWDEMLSA-N 2 1 343.515 3.147 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001080557317 1357678355 /nfs/dbraw/zinc/67/83/55/1357678355.db2.gz PCXWTNWYDNVZIN-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C ZINC001080557317 1357678357 /nfs/dbraw/zinc/67/83/57/1357678357.db2.gz PCXWTNWYDNVZIN-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C ZINC001080557317 1357678359 /nfs/dbraw/zinc/67/83/59/1357678359.db2.gz PCXWTNWYDNVZIN-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071547499 1354759907 /nfs/dbraw/zinc/75/99/07/1354759907.db2.gz UWFRBYPITJENKX-GOEBONIOSA-N 2 1 337.533 3.193 20 0 EGADMP CCCC[N@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071547499 1354759911 /nfs/dbraw/zinc/75/99/11/1354759911.db2.gz UWFRBYPITJENKX-GOEBONIOSA-N 2 1 337.533 3.193 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001071689151 1354852764 /nfs/dbraw/zinc/85/27/64/1354852764.db2.gz GPOWOUINFKRYCX-CRAIPNDOSA-N 2 1 342.487 3.353 20 0 EGADMP CCCC[N@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001071702084 1354862099 /nfs/dbraw/zinc/86/20/99/1354862099.db2.gz SYMSOWYRDJGPEF-IEBWSBKVSA-N 2 1 345.531 3.174 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001071739299 1354889030 /nfs/dbraw/zinc/88/90/30/1354889030.db2.gz QNVLGLJCLXNICK-HKUYNNGSSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCCC2)C1 ZINC001071867826 1354993118 /nfs/dbraw/zinc/99/31/18/1354993118.db2.gz FGMUBJYCCYFTRK-FUHWJXTLSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CCCC2)C1 ZINC001071867826 1354993126 /nfs/dbraw/zinc/99/31/26/1354993126.db2.gz FGMUBJYCCYFTRK-FUHWJXTLSA-N 2 1 346.519 3.166 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001071868668 1354993573 /nfs/dbraw/zinc/99/35/73/1354993573.db2.gz MELTXMLUFJGEBA-FUHWJXTLSA-N 2 1 348.535 3.412 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001071868668 1354993578 /nfs/dbraw/zinc/99/35/78/1354993578.db2.gz MELTXMLUFJGEBA-FUHWJXTLSA-N 2 1 348.535 3.412 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@H+]1CCC1CC1 ZINC001072096220 1355127162 /nfs/dbraw/zinc/12/71/62/1355127162.db2.gz VPTBSSIULBRKTB-OXJNMPFZSA-N 2 1 343.515 3.131 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072098658 1355128229 /nfs/dbraw/zinc/12/82/29/1355128229.db2.gz DLHIITXRSHRQRT-PKOBYXMFSA-N 2 1 343.515 3.297 20 0 EGADMP CC(C)CC[N@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072099426 1355129050 /nfs/dbraw/zinc/12/90/50/1355129050.db2.gz QOBDNPHKDKEAIU-PKOBYXMFSA-N 2 1 345.531 3.377 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@H+]1CC1CCC1 ZINC001072099514 1355129670 /nfs/dbraw/zinc/12/96/70/1355129670.db2.gz SBQOYZRMFCTRFS-VQIMIIECSA-N 2 1 343.515 3.131 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(C)C)C2)o1 ZINC001072110090 1355136726 /nfs/dbraw/zinc/13/67/26/1355136726.db2.gz SGECDIAJHBIIBV-SJORKVTESA-N 2 1 349.519 3.360 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(C)C)C2)o1 ZINC001072110089 1355137032 /nfs/dbraw/zinc/13/70/32/1355137032.db2.gz SGECDIAJHBIIBV-IRXDYDNUSA-N 2 1 349.519 3.360 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC3(C2)CC[NH+](CCC(C)(C)C)C3)C1 ZINC001072907380 1355491737 /nfs/dbraw/zinc/49/17/37/1355491737.db2.gz GZFFVFFWWQPTQA-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC3(C2)CC[N@H+](CCC(C)(C)C)C3)C1 ZINC001072907380 1355491740 /nfs/dbraw/zinc/49/17/40/1355491740.db2.gz GZFFVFFWWQPTQA-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCC(C)(C)C)C3)C1 ZINC001072907380 1355491745 /nfs/dbraw/zinc/49/17/45/1355491745.db2.gz GZFFVFFWWQPTQA-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC=C(C)C)C2 ZINC001073116680 1355605296 /nfs/dbraw/zinc/60/52/96/1355605296.db2.gz YUEBRVNSVDGOEC-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC=C(C)C)C2 ZINC001073116680 1355605297 /nfs/dbraw/zinc/60/52/97/1355605297.db2.gz YUEBRVNSVDGOEC-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC=C(C)C)C2 ZINC001073116680 1355605300 /nfs/dbraw/zinc/60/53/00/1355605300.db2.gz YUEBRVNSVDGOEC-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCCC1)C1CCC1 ZINC001074023882 1356040181 /nfs/dbraw/zinc/04/01/81/1356040181.db2.gz LTUVYKZQCMTXLW-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001074023882 1356040184 /nfs/dbraw/zinc/04/01/84/1356040184.db2.gz LTUVYKZQCMTXLW-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001074023882 1356040187 /nfs/dbraw/zinc/04/01/87/1356040187.db2.gz LTUVYKZQCMTXLW-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1ccccc1)[NH+](C)C ZINC001074030324 1356043615 /nfs/dbraw/zinc/04/36/15/1356043615.db2.gz OWMYZNLLGLFEHF-DFQSSKMNSA-N 2 1 345.531 3.401 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccccc1C)[NH+](C)C ZINC001074067029 1356063739 /nfs/dbraw/zinc/06/37/39/1356063739.db2.gz YABQALNLBAYPPX-UXHICEINSA-N 2 1 345.531 3.148 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1ccccc1)[NH+](C)C ZINC001074066732 1356064002 /nfs/dbraw/zinc/06/40/02/1356064002.db2.gz OWMYZNLLGLFEHF-RLLQIKCJSA-N 2 1 345.531 3.401 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCC3)[C@@H]2C)C1 ZINC001074684285 1356223819 /nfs/dbraw/zinc/22/38/19/1356223819.db2.gz KIGJPOBWOOEUAJ-IHPCNDPISA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458890 1356391920 /nfs/dbraw/zinc/39/19/20/1356391920.db2.gz SALREMZGPVYZGB-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458890 1356391924 /nfs/dbraw/zinc/39/19/24/1356391924.db2.gz SALREMZGPVYZGB-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458890 1356391927 /nfs/dbraw/zinc/39/19/27/1356391927.db2.gz SALREMZGPVYZGB-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001076418854 1356573997 /nfs/dbraw/zinc/57/39/97/1356573997.db2.gz RZLHFDYTIGXJED-VQTJNVASSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001080992284 1357775550 /nfs/dbraw/zinc/77/55/50/1357775550.db2.gz CLLXKRMXWFYVOP-VQIMIIECSA-N 2 1 345.531 3.235 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001082559334 1358057199 /nfs/dbraw/zinc/05/71/99/1358057199.db2.gz BNBOBKFGFBPRGS-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC(C)C)C[C@H]21 ZINC001084767731 1358305523 /nfs/dbraw/zinc/30/55/23/1358305523.db2.gz HOWQRUMDSGEKJT-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC(C)C)C[C@H]21 ZINC001084767731 1358305524 /nfs/dbraw/zinc/30/55/24/1358305524.db2.gz HOWQRUMDSGEKJT-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC(C)C)C[C@H]21 ZINC001084767731 1358305525 /nfs/dbraw/zinc/30/55/25/1358305525.db2.gz HOWQRUMDSGEKJT-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938737 1358352042 /nfs/dbraw/zinc/35/20/42/1358352042.db2.gz CRFOQDUTMRLFFB-AQNXPRMDSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084938737 1358352044 /nfs/dbraw/zinc/35/20/44/1358352044.db2.gz CRFOQDUTMRLFFB-AQNXPRMDSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084938737 1358352045 /nfs/dbraw/zinc/35/20/45/1358352045.db2.gz CRFOQDUTMRLFFB-AQNXPRMDSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001085331960 1358469962 /nfs/dbraw/zinc/46/99/62/1358469962.db2.gz GNORWRPQQQLSDQ-DFQSSKMNSA-N 2 1 347.547 3.378 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCC(C)(C)C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875575 1358838954 /nfs/dbraw/zinc/83/89/54/1358838954.db2.gz FFIFJLANHRBCOC-LJQANCHMSA-N 2 1 345.531 3.331 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001183870041 1387363799 /nfs/dbraw/zinc/36/37/99/1387363799.db2.gz YTCJSMGHTPZDRC-MGBKSAOESA-N 2 1 335.536 3.044 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001086277924 1359051392 /nfs/dbraw/zinc/05/13/92/1359051392.db2.gz AEHYXCADCNLQLF-HSALFYBXSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086364481 1359078742 /nfs/dbraw/zinc/07/87/42/1359078742.db2.gz GSGXMBDJKHNYJN-ZULIPRJHSA-N 2 1 343.515 3.105 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001086402175 1359088782 /nfs/dbraw/zinc/08/87/82/1359088782.db2.gz KXYAILXAQHAKQJ-GUDVDZBRSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001086414848 1359091488 /nfs/dbraw/zinc/09/14/88/1359091488.db2.gz MTJYDSYTNJAZIR-VAMGGRTRSA-N 2 1 349.563 3.172 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001184062678 1387385157 /nfs/dbraw/zinc/38/51/57/1387385157.db2.gz XGEYSESCNUNNAI-OWZKRDHZSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001086926014 1359251319 /nfs/dbraw/zinc/25/13/19/1359251319.db2.gz NGBNICPOENNTIR-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C(C)(C)[C@@H]21 ZINC001087306461 1359393396 /nfs/dbraw/zinc/39/33/96/1359393396.db2.gz JFFUIGNGYSZBDO-KBAYOESNSA-N 2 1 346.519 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C(C)(C)[C@@H]21 ZINC001087306461 1359393397 /nfs/dbraw/zinc/39/33/97/1359393397.db2.gz JFFUIGNGYSZBDO-KBAYOESNSA-N 2 1 346.519 3.022 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087573000 1359537668 /nfs/dbraw/zinc/53/76/68/1359537668.db2.gz OWZNUYRBJJTAKE-YTQUADARSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573000 1359537673 /nfs/dbraw/zinc/53/76/73/1359537673.db2.gz OWZNUYRBJJTAKE-YTQUADARSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573000 1359537677 /nfs/dbraw/zinc/53/76/77/1359537677.db2.gz OWZNUYRBJJTAKE-YTQUADARSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC3CCCC3)[C@@H]2CC)C1 ZINC001087696750 1359597262 /nfs/dbraw/zinc/59/72/62/1359597262.db2.gz LDKLCOJGWOPQQF-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CC3CCCC3)[C@@H]2CC)C1 ZINC001087696750 1359597265 /nfs/dbraw/zinc/59/72/65/1359597265.db2.gz LDKLCOJGWOPQQF-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)[C@@H]2CC)C1 ZINC001087696750 1359597271 /nfs/dbraw/zinc/59/72/71/1359597271.db2.gz LDKLCOJGWOPQQF-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001088323761 1359830913 /nfs/dbraw/zinc/83/09/13/1359830913.db2.gz YDHSJLJOJRZEDN-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001088323387 1359830950 /nfs/dbraw/zinc/83/09/50/1359830950.db2.gz MYNCJDQCDLXECA-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001088431263 1359898927 /nfs/dbraw/zinc/89/89/27/1359898927.db2.gz NZNHJCYPBFGPTK-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CC1CCCC1 ZINC001088567428 1359977115 /nfs/dbraw/zinc/97/71/15/1359977115.db2.gz NMNVEMVATXRXOZ-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001088621867 1359993595 /nfs/dbraw/zinc/99/35/95/1359993595.db2.gz XCXFJFWIKFPPBK-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1C ZINC001088621867 1359993598 /nfs/dbraw/zinc/99/35/98/1359993598.db2.gz XCXFJFWIKFPPBK-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1C ZINC001088621867 1359993601 /nfs/dbraw/zinc/99/36/01/1359993601.db2.gz XCXFJFWIKFPPBK-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CCC1=CCCCC1 ZINC001088702811 1360015884 /nfs/dbraw/zinc/01/58/84/1360015884.db2.gz KOUHRZQMXSUEGX-MJGOQNOKSA-N 2 1 345.531 3.084 20 0 EGADMP C[N@@H+](C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C)CC1CCCCCC1 ZINC001089136896 1360195736 /nfs/dbraw/zinc/19/57/36/1360195736.db2.gz OZFBYNCXSBCFNQ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C)CC1CCCCCC1 ZINC001089136896 1360195738 /nfs/dbraw/zinc/19/57/38/1360195738.db2.gz OZFBYNCXSBCFNQ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C)CC1CCCCCC1 ZINC001089136896 1360195744 /nfs/dbraw/zinc/19/57/44/1360195744.db2.gz OZFBYNCXSBCFNQ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@H+](Cc1ccsc1)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001089215601 1360260959 /nfs/dbraw/zinc/26/09/59/1360260959.db2.gz UOEKLYJQGLXWPE-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001089215601 1360260962 /nfs/dbraw/zinc/26/09/62/1360260962.db2.gz UOEKLYJQGLXWPE-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001089215601 1360260963 /nfs/dbraw/zinc/26/09/63/1360260963.db2.gz UOEKLYJQGLXWPE-ROUUACIJSA-N 2 1 349.544 3.045 20 0 EGADMP CC1CCC(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)CC1 ZINC001089260230 1360288875 /nfs/dbraw/zinc/28/88/75/1360288875.db2.gz BRAVLTAKEKNBSI-MHJFOBGBSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCCCC1 ZINC001089260210 1360289271 /nfs/dbraw/zinc/28/92/71/1360289271.db2.gz BJCAMCUSKJPGIQ-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCCCC1 ZINC001089260210 1360289274 /nfs/dbraw/zinc/28/92/74/1360289274.db2.gz BJCAMCUSKJPGIQ-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC3CC3)CC(C)(C)C2)C1 ZINC001089473577 1360457259 /nfs/dbraw/zinc/45/72/59/1360457259.db2.gz ZAUPUZFLOZJVCQ-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CC3CC3)CC(C)(C)C2)C1 ZINC001089473577 1360457263 /nfs/dbraw/zinc/45/72/63/1360457263.db2.gz ZAUPUZFLOZJVCQ-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CC3CC3)CC(C)(C)C2)C1 ZINC001089473577 1360457267 /nfs/dbraw/zinc/45/72/67/1360457267.db2.gz ZAUPUZFLOZJVCQ-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089527647 1360490752 /nfs/dbraw/zinc/49/07/52/1360490752.db2.gz RWWYTFZAACQUTH-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC)CC(C)(C)C1 ZINC001089538585 1360496672 /nfs/dbraw/zinc/49/66/72/1360496672.db2.gz XDFAENSNLYHGII-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC)CC(C)(C)C1 ZINC001089538585 1360496674 /nfs/dbraw/zinc/49/66/74/1360496674.db2.gz XDFAENSNLYHGII-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC)CC(C)(C)C1 ZINC001089538585 1360496675 /nfs/dbraw/zinc/49/66/75/1360496675.db2.gz XDFAENSNLYHGII-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001089639447 1360553395 /nfs/dbraw/zinc/55/33/95/1360553395.db2.gz WELYAVHLNKBLSP-OALUTQOASA-N 2 1 349.563 3.432 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089639447 1360553398 /nfs/dbraw/zinc/55/33/98/1360553398.db2.gz WELYAVHLNKBLSP-OALUTQOASA-N 2 1 349.563 3.432 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089639447 1360553399 /nfs/dbraw/zinc/55/33/99/1360553399.db2.gz WELYAVHLNKBLSP-OALUTQOASA-N 2 1 349.563 3.432 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)CCCn3cc[nH+]c3C)C2)CC1 ZINC001323833419 1387468938 /nfs/dbraw/zinc/46/89/38/1387468938.db2.gz YKCZBBUKVXIUFG-UHFFFAOYSA-N 2 1 346.519 3.086 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2CC([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001091198915 1361005112 /nfs/dbraw/zinc/00/51/12/1361005112.db2.gz ZBQJHJSZDBOFJS-AVAKVYKDSA-N 2 1 349.563 3.029 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001091378647 1361068644 /nfs/dbraw/zinc/06/86/44/1361068644.db2.gz RIUKIIHSLVGXNX-SOAGJPPSSA-N 2 1 349.563 3.316 20 0 EGADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC001323991728 1387505537 /nfs/dbraw/zinc/50/55/37/1387505537.db2.gz SDICQYSILUJFNR-MJGOQNOKSA-N 2 1 337.458 3.396 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001092658151 1361433998 /nfs/dbraw/zinc/43/39/98/1361433998.db2.gz JTKIDFCYTBTRIC-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C ZINC001092658151 1361433999 /nfs/dbraw/zinc/43/39/99/1361433999.db2.gz JTKIDFCYTBTRIC-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C ZINC001092658151 1361434000 /nfs/dbraw/zinc/43/40/00/1361434000.db2.gz JTKIDFCYTBTRIC-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CCC2)C[C@H]1C ZINC001093120762 1361532626 /nfs/dbraw/zinc/53/26/26/1361532626.db2.gz MNUUTBDVWRKWPF-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001093120762 1361532628 /nfs/dbraw/zinc/53/26/28/1361532628.db2.gz MNUUTBDVWRKWPF-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001093120762 1361532630 /nfs/dbraw/zinc/53/26/30/1361532630.db2.gz MNUUTBDVWRKWPF-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120813 1361532829 /nfs/dbraw/zinc/53/28/29/1361532829.db2.gz OPKYVXNKDQMRJE-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H](C)C1 ZINC001093120813 1361532832 /nfs/dbraw/zinc/53/28/32/1361532832.db2.gz OPKYVXNKDQMRJE-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@H](C)C1 ZINC001093120813 1361532837 /nfs/dbraw/zinc/53/28/37/1361532837.db2.gz OPKYVXNKDQMRJE-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@H](C(=O)N1CCC([C@@H]2[N@@H+](CC(C)C)CC23CCC3)CC1)[NH+](C)C ZINC001093372484 1361582053 /nfs/dbraw/zinc/58/20/53/1361582053.db2.gz DRAUWTIWKLYGKW-MOPGFXCFSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001093808299 1361699858 /nfs/dbraw/zinc/69/98/58/1361699858.db2.gz NPTHVJJNOIWYSZ-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCCC1 ZINC001095241971 1362065157 /nfs/dbraw/zinc/06/51/57/1362065157.db2.gz AYMKGWBAUBNEOV-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCCC1 ZINC001095241971 1362065158 /nfs/dbraw/zinc/06/51/58/1362065158.db2.gz AYMKGWBAUBNEOV-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCCC1 ZINC001095241971 1362065161 /nfs/dbraw/zinc/06/51/61/1362065161.db2.gz AYMKGWBAUBNEOV-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001095668412 1362198762 /nfs/dbraw/zinc/19/87/62/1362198762.db2.gz OMGIWFMXAJJIHU-FYQPLNBISA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1 ZINC001095668412 1362198764 /nfs/dbraw/zinc/19/87/64/1362198764.db2.gz OMGIWFMXAJJIHU-FYQPLNBISA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001095668412 1362198766 /nfs/dbraw/zinc/19/87/66/1362198766.db2.gz OMGIWFMXAJJIHU-FYQPLNBISA-N 2 1 347.547 3.019 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001095668937 1362199083 /nfs/dbraw/zinc/19/90/83/1362199083.db2.gz YKYKXAVXMGGUBM-FYQPLNBISA-N 2 1 349.563 3.265 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001095668937 1362199085 /nfs/dbraw/zinc/19/90/85/1362199085.db2.gz YKYKXAVXMGGUBM-FYQPLNBISA-N 2 1 349.563 3.265 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001095668937 1362199087 /nfs/dbraw/zinc/19/90/87/1362199087.db2.gz YKYKXAVXMGGUBM-FYQPLNBISA-N 2 1 349.563 3.265 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCC2)CC[N@H+]1C ZINC001095921177 1362289191 /nfs/dbraw/zinc/28/91/91/1362289191.db2.gz HZECTWDAQKXRMK-UVBQOVKKSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCC2)CC[NH+]1C ZINC001095921177 1362289192 /nfs/dbraw/zinc/28/91/92/1362289192.db2.gz HZECTWDAQKXRMK-UVBQOVKKSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCC2)CC[NH+]1C ZINC001095921177 1362289194 /nfs/dbraw/zinc/28/91/94/1362289194.db2.gz HZECTWDAQKXRMK-UVBQOVKKSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCCC2)C1 ZINC001096015327 1362334995 /nfs/dbraw/zinc/33/49/95/1362334995.db2.gz BSUMVEXILYDOES-RNQOJCNYSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCCC2)C1 ZINC001096015327 1362335000 /nfs/dbraw/zinc/33/50/00/1362335000.db2.gz BSUMVEXILYDOES-RNQOJCNYSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001096104414 1362384349 /nfs/dbraw/zinc/38/43/49/1362384349.db2.gz IJXGUTNLEISZDN-XWSJACJDSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001096104414 1362384353 /nfs/dbraw/zinc/38/43/53/1362384353.db2.gz IJXGUTNLEISZDN-XWSJACJDSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001096104414 1362384360 /nfs/dbraw/zinc/38/43/60/1362384360.db2.gz IJXGUTNLEISZDN-XWSJACJDSA-N 2 1 349.563 3.407 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)CCc2cnc[nH]2)CC1 ZINC001324317832 1387589898 /nfs/dbraw/zinc/58/98/98/1387589898.db2.gz BAJQZDQKHVOLQC-MRXNPFEDSA-N 2 1 340.471 3.074 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001097218649 1362890355 /nfs/dbraw/zinc/89/03/55/1362890355.db2.gz JTNMBAFRMLTVNG-NMLBUPMWSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1 ZINC001097218649 1362890357 /nfs/dbraw/zinc/89/03/57/1362890357.db2.gz JTNMBAFRMLTVNG-NMLBUPMWSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001097218649 1362890360 /nfs/dbraw/zinc/89/03/60/1362890360.db2.gz JTNMBAFRMLTVNG-NMLBUPMWSA-N 2 1 347.547 3.161 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC=C(C)C ZINC001098191598 1363250120 /nfs/dbraw/zinc/25/01/20/1363250120.db2.gz KWXXRJHIJZUYFU-ZRNYENFQSA-N 2 1 347.547 3.329 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(C)C ZINC001098191598 1363250122 /nfs/dbraw/zinc/25/01/22/1363250122.db2.gz KWXXRJHIJZUYFU-ZRNYENFQSA-N 2 1 347.547 3.329 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001098191598 1363250127 /nfs/dbraw/zinc/25/01/27/1363250127.db2.gz KWXXRJHIJZUYFU-ZRNYENFQSA-N 2 1 347.547 3.329 20 0 EGADMP CC[C@H](C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099106171 1363625386 /nfs/dbraw/zinc/62/53/86/1363625386.db2.gz CGSQJGDWPWCINQ-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099111139 1363628622 /nfs/dbraw/zinc/62/86/22/1363628622.db2.gz SEINFRSGBHRIBL-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099111139 1363628626 /nfs/dbraw/zinc/62/86/26/1363628626.db2.gz SEINFRSGBHRIBL-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001099111139 1363628629 /nfs/dbraw/zinc/62/86/29/1363628629.db2.gz SEINFRSGBHRIBL-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001099116801 1363632757 /nfs/dbraw/zinc/63/27/57/1363632757.db2.gz WGDQOROCTAHZLW-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001099116801 1363632758 /nfs/dbraw/zinc/63/27/58/1363632758.db2.gz WGDQOROCTAHZLW-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001099116801 1363632764 /nfs/dbraw/zinc/63/27/64/1363632764.db2.gz WGDQOROCTAHZLW-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](F)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130020 1363642085 /nfs/dbraw/zinc/64/20/85/1363642085.db2.gz HBWXENNQWCKLGI-HOTGVXAUSA-N 2 1 343.531 3.072 20 0 EGADMP CC[C@H](F)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130020 1363642088 /nfs/dbraw/zinc/64/20/88/1363642088.db2.gz HBWXENNQWCKLGI-HOTGVXAUSA-N 2 1 343.531 3.072 20 0 EGADMP CC[C@H](F)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@H+](C)CC ZINC001099130020 1363642090 /nfs/dbraw/zinc/64/20/90/1363642090.db2.gz HBWXENNQWCKLGI-HOTGVXAUSA-N 2 1 343.531 3.072 20 0 EGADMP CC[C@H](F)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001099130020 1363642093 /nfs/dbraw/zinc/64/20/93/1363642093.db2.gz HBWXENNQWCKLGI-HOTGVXAUSA-N 2 1 343.531 3.072 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099241320 1363709913 /nfs/dbraw/zinc/70/99/13/1363709913.db2.gz YLXIFUPEWFRFHQ-XRZRDHLVSA-N 2 1 337.552 3.290 20 0 EGADMP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001099309154 1363741499 /nfs/dbraw/zinc/74/14/99/1363741499.db2.gz AIIAHSJQPWLNDT-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1C/C=C\Cl ZINC001099320230 1363747834 /nfs/dbraw/zinc/74/78/34/1363747834.db2.gz HRUVEGOBXMYULC-CXSQMQJXSA-N 2 1 343.943 3.078 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1C/C=C\Cl ZINC001099320230 1363747836 /nfs/dbraw/zinc/74/78/36/1363747836.db2.gz HRUVEGOBXMYULC-CXSQMQJXSA-N 2 1 343.943 3.078 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1C/C=C\Cl ZINC001099320230 1363747839 /nfs/dbraw/zinc/74/78/39/1363747839.db2.gz HRUVEGOBXMYULC-CXSQMQJXSA-N 2 1 343.943 3.078 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339045 1363758578 /nfs/dbraw/zinc/75/85/78/1363758578.db2.gz CUPFOVBLUPKZPB-XFHJGTJQSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001099348039 1363764728 /nfs/dbraw/zinc/76/47/28/1363764728.db2.gz FOCZCUOEPVXKRX-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1 ZINC001099348039 1363764730 /nfs/dbraw/zinc/76/47/30/1363764730.db2.gz FOCZCUOEPVXKRX-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCCC1 ZINC001099348039 1363764732 /nfs/dbraw/zinc/76/47/32/1363764732.db2.gz FOCZCUOEPVXKRX-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001099348038 1363765035 /nfs/dbraw/zinc/76/50/35/1363765035.db2.gz FOCZCUOEPVXKRX-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1 ZINC001099348038 1363765038 /nfs/dbraw/zinc/76/50/38/1363765038.db2.gz FOCZCUOEPVXKRX-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCCC1 ZINC001099348038 1363765040 /nfs/dbraw/zinc/76/50/40/1363765040.db2.gz FOCZCUOEPVXKRX-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001100405651 1364103419 /nfs/dbraw/zinc/10/34/19/1364103419.db2.gz HDQAAPDMICMGIZ-UTSWGOQQSA-N 2 1 347.547 3.234 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001100459877 1364122046 /nfs/dbraw/zinc/12/20/46/1364122046.db2.gz CEXGANKSBXQBFA-UHFFFAOYSA-N 2 1 335.536 3.092 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2CC([NH2+]CCCC3CCC3)C2)C1 ZINC001100599223 1364183033 /nfs/dbraw/zinc/18/30/33/1364183033.db2.gz PWPDPWCVYDDZFX-GPJFCIFZSA-N 2 1 349.563 3.173 20 0 EGADMP C[N@@H+](CC(=O)NCC1CC([NH2+]CCCC2CCC2)C1)CC(C)(C)C ZINC001100681533 1364216579 /nfs/dbraw/zinc/21/65/79/1364216579.db2.gz MPPFNFMCCOLHJF-UHFFFAOYSA-N 2 1 337.552 3.029 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001100729332 1364238041 /nfs/dbraw/zinc/23/80/41/1364238041.db2.gz AWLOVXGLCVDMMP-KMJZGYOJSA-N 2 1 349.563 3.480 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001100729329 1364238183 /nfs/dbraw/zinc/23/81/83/1364238183.db2.gz AWLOVXGLCVDMMP-HPEWHVDNSA-N 2 1 349.563 3.480 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001100758000 1364248377 /nfs/dbraw/zinc/24/83/77/1364248377.db2.gz RPQWAFYHLAAVFK-UHFFFAOYSA-N 2 1 348.535 3.282 20 0 EGADMP CC/C=C\CC[NH2+]C1CC(CNC(=O)C[N@H+](C)CCCCCC)C1 ZINC001100765216 1364251838 /nfs/dbraw/zinc/25/18/38/1364251838.db2.gz YJTOTZBURLYUHD-VURMDHGXSA-N 2 1 337.552 3.339 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC001100989377 1364359995 /nfs/dbraw/zinc/35/99/95/1364359995.db2.gz WJPOUTKIMIAYAO-UHFFFAOYSA-N 2 1 346.519 3.036 20 0 EGADMP CCC(CC)C[NH2+]C1CC(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001101065137 1364398079 /nfs/dbraw/zinc/39/80/79/1364398079.db2.gz DVFNNSJMPVKEJW-UHFFFAOYSA-N 2 1 345.531 3.039 20 0 EGADMP CCC(CC)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001101065137 1364398081 /nfs/dbraw/zinc/39/80/81/1364398081.db2.gz DVFNNSJMPVKEJW-UHFFFAOYSA-N 2 1 345.531 3.039 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2C[NH+](CCCC(C)(C)C)C[C@@]2(C)C1 ZINC001101364032 1364528900 /nfs/dbraw/zinc/52/89/00/1364528900.db2.gz LADBWHVRJNBOGU-OPYAIIAOSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@H+](CCCC(C)(C)C)C[C@@]2(C)C1 ZINC001101364032 1364528905 /nfs/dbraw/zinc/52/89/05/1364528905.db2.gz LADBWHVRJNBOGU-OPYAIIAOSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@@]2(C)C1 ZINC001101364032 1364528908 /nfs/dbraw/zinc/52/89/08/1364528908.db2.gz LADBWHVRJNBOGU-OPYAIIAOSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC=C(C)C)C[C@@]2(C)C1 ZINC001101395747 1364544451 /nfs/dbraw/zinc/54/44/51/1364544451.db2.gz MPEGIIJQSRVTLE-CTNGQTDRSA-N 2 1 349.563 3.245 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC=C(C)C)C[C@@]2(C)C1 ZINC001101395747 1364544456 /nfs/dbraw/zinc/54/44/56/1364544456.db2.gz MPEGIIJQSRVTLE-CTNGQTDRSA-N 2 1 349.563 3.245 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC=C(C)C)C[C@@]2(C)C1 ZINC001101395747 1364544458 /nfs/dbraw/zinc/54/44/58/1364544458.db2.gz MPEGIIJQSRVTLE-CTNGQTDRSA-N 2 1 349.563 3.245 20 0 EGADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](CC3CCCCCC3)C[C@@]2(C)C1 ZINC001101399964 1364545048 /nfs/dbraw/zinc/54/50/48/1364545048.db2.gz AHYREDCZJLZREV-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC(C(C)(C)C[NH2+]C(C)C)CC1 ZINC001101582568 1364634800 /nfs/dbraw/zinc/63/48/00/1364634800.db2.gz ZUPNZZVZHNBMJE-UHFFFAOYSA-N 2 1 348.535 3.235 20 0 EGADMP CC/C=C\CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001101594651 1364645514 /nfs/dbraw/zinc/64/55/14/1364645514.db2.gz JDMKWCFKRGCTNC-HPFMTEOYSA-N 2 1 349.563 3.149 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101597723 1364648755 /nfs/dbraw/zinc/64/87/55/1364648755.db2.gz YWHYUTZQRNZINN-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102061723 1364829203 /nfs/dbraw/zinc/82/92/03/1364829203.db2.gz BLHNORCGGUYHGH-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001102061723 1364829205 /nfs/dbraw/zinc/82/92/05/1364829205.db2.gz BLHNORCGGUYHGH-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001102061723 1364829209 /nfs/dbraw/zinc/82/92/09/1364829209.db2.gz BLHNORCGGUYHGH-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102062027 1364829309 /nfs/dbraw/zinc/82/93/09/1364829309.db2.gz RTBSXBDHDHYOGY-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001102062027 1364829314 /nfs/dbraw/zinc/82/93/14/1364829314.db2.gz RTBSXBDHDHYOGY-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001102062027 1364829315 /nfs/dbraw/zinc/82/93/15/1364829315.db2.gz RTBSXBDHDHYOGY-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001102122693 1364872663 /nfs/dbraw/zinc/87/26/63/1364872663.db2.gz HLKJAIZCKKCINI-SJLPKXTDSA-N 2 1 342.487 3.212 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102479711 1365077967 /nfs/dbraw/zinc/07/79/67/1365077967.db2.gz CTPJJKCMTRBFTF-KJYWSYJISA-N 2 1 349.563 3.149 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@H](C)c2cccc(C)c2)C[C@H]1C ZINC001102497160 1365086729 /nfs/dbraw/zinc/08/67/29/1365086729.db2.gz DHXSVGONYUNTTG-QWFCFKBJSA-N 2 1 345.531 3.082 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+]([C@H](C)c2cccc(C)c2)C[C@H]1C ZINC001102497160 1365086732 /nfs/dbraw/zinc/08/67/32/1365086732.db2.gz DHXSVGONYUNTTG-QWFCFKBJSA-N 2 1 345.531 3.082 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+]([C@H](C)c2cccc(C)c2)C[C@H]1C ZINC001102497160 1365086734 /nfs/dbraw/zinc/08/67/34/1365086734.db2.gz DHXSVGONYUNTTG-QWFCFKBJSA-N 2 1 345.531 3.082 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001103060547 1365358965 /nfs/dbraw/zinc/35/89/65/1365358965.db2.gz RWPCESVYGVVRQV-JCHUFIKGSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001103060547 1365358968 /nfs/dbraw/zinc/35/89/68/1365358968.db2.gz RWPCESVYGVVRQV-JCHUFIKGSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001103060547 1365358970 /nfs/dbraw/zinc/35/89/70/1365358970.db2.gz RWPCESVYGVVRQV-JCHUFIKGSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001103271195 1365465468 /nfs/dbraw/zinc/46/54/68/1365465468.db2.gz CERAQKVPUQMNJU-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001103271576 1365465555 /nfs/dbraw/zinc/46/55/55/1365465555.db2.gz VOXFUEVHAHMCHN-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001103751557 1365763895 /nfs/dbraw/zinc/76/38/95/1365763895.db2.gz GJDVEMHATFOYFY-WEPWYQGCSA-N 2 1 349.563 3.293 20 0 EGADMP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104286925 1365976446 /nfs/dbraw/zinc/97/64/46/1365976446.db2.gz MPKJMKCOTDRPKO-AQNXPRMDSA-N 2 1 349.563 3.005 20 0 EGADMP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104378782 1365995204 /nfs/dbraw/zinc/99/52/04/1365995204.db2.gz GPAXZUNWVAYNTR-AQNXPRMDSA-N 2 1 349.563 3.147 20 0 EGADMP C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1CC[NH2+]CC1CC1 ZINC001104452544 1366033659 /nfs/dbraw/zinc/03/36/59/1366033659.db2.gz NZEQQRBBAOEPBI-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001324868727 1387797672 /nfs/dbraw/zinc/79/76/72/1387797672.db2.gz NAHLRXXMIBTEQU-GOSISDBHSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394168 1366442889 /nfs/dbraw/zinc/44/28/89/1366442889.db2.gz PNUGHUYJPNICCD-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001105536721 1366516242 /nfs/dbraw/zinc/51/62/42/1366516242.db2.gz IBSQTLFVUUZSCZ-MOPGFXCFSA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001105541595 1366519965 /nfs/dbraw/zinc/51/99/65/1366519965.db2.gz FDMXXBSDXUKDSV-OALUTQOASA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC001105556414 1366529117 /nfs/dbraw/zinc/52/91/17/1366529117.db2.gz FLXOLVYNGNHUEV-GBESFXJTSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106574410 1366741438 /nfs/dbraw/zinc/74/14/38/1366741438.db2.gz IBBFJAJAMAVNMS-QWFCFKBJSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCCC2CCC2)[C@H](C)C1 ZINC001107037231 1366862646 /nfs/dbraw/zinc/86/26/46/1366862646.db2.gz XWLBCHMBAMMNAU-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CC1)CC2 ZINC001107435968 1366963076 /nfs/dbraw/zinc/96/30/76/1366963076.db2.gz HVHJYWUKWZKCRV-SFHLNBCPSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2 ZINC001107435968 1366963078 /nfs/dbraw/zinc/96/30/78/1366963078.db2.gz HVHJYWUKWZKCRV-SFHLNBCPSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2 ZINC001107435968 1366963080 /nfs/dbraw/zinc/96/30/80/1366963080.db2.gz HVHJYWUKWZKCRV-SFHLNBCPSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)(C)C)CC2)C1CC1 ZINC001107439028 1366963546 /nfs/dbraw/zinc/96/35/46/1366963546.db2.gz OQTIDXVGPLRFBS-LVCYWYKZSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001107485234 1366986955 /nfs/dbraw/zinc/98/69/55/1366986955.db2.gz QANSVLAHQVDSOB-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[NH+](CC2CCCCCC2)C1 ZINC001324947140 1387843654 /nfs/dbraw/zinc/84/36/54/1387843654.db2.gz GYKMAIMPBZJPER-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CC2CCCCCC2)C1 ZINC001324947140 1387843655 /nfs/dbraw/zinc/84/36/55/1387843655.db2.gz GYKMAIMPBZJPER-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CC2CCCCCC2)C1 ZINC001324947140 1387843656 /nfs/dbraw/zinc/84/36/56/1387843656.db2.gz GYKMAIMPBZJPER-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001189426506 1367018542 /nfs/dbraw/zinc/01/85/42/1367018542.db2.gz XGMYBYUMBLXLMK-VQTJNVASSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107530138 1367023078 /nfs/dbraw/zinc/02/30/78/1367023078.db2.gz IALNMWUWHYLVHJ-TZIWHRDSSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107534066 1367025252 /nfs/dbraw/zinc/02/52/52/1367025252.db2.gz VRSZTFOGMSYXJM-QWFCFKBJSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCC(C)C)C[C@H]21 ZINC001189454598 1367025578 /nfs/dbraw/zinc/02/55/78/1367025578.db2.gz XNXNGKKAABCFBQ-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CCC(C)C)C[C@H]21 ZINC001189454598 1367025580 /nfs/dbraw/zinc/02/55/80/1367025580.db2.gz XNXNGKKAABCFBQ-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CCC(C)C)C[C@H]21 ZINC001189454598 1367025587 /nfs/dbraw/zinc/02/55/87/1367025587.db2.gz XNXNGKKAABCFBQ-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)(C)C)CC2)[NH+](C)C ZINC001107554578 1367039384 /nfs/dbraw/zinc/03/93/84/1367039384.db2.gz CXDOEWRGUSMVBM-SQGPQFPESA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107567261 1367048864 /nfs/dbraw/zinc/04/88/64/1367048864.db2.gz PJDVXFJLHCZCSG-SFHLNBCPSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCC)CC2 ZINC001107582046 1367056145 /nfs/dbraw/zinc/05/61/45/1367056145.db2.gz TYTVZVHGMRARLC-UYAOXDASSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC)CC2 ZINC001107582046 1367056155 /nfs/dbraw/zinc/05/61/55/1367056155.db2.gz TYTVZVHGMRARLC-UYAOXDASSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC)CC2 ZINC001107582046 1367056160 /nfs/dbraw/zinc/05/61/60/1367056160.db2.gz TYTVZVHGMRARLC-UYAOXDASSA-N 2 1 337.552 3.269 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CCC)CCC[C@@H]12 ZINC001107614550 1367073586 /nfs/dbraw/zinc/07/35/86/1367073586.db2.gz FPURMSHFNFJKQK-YKMDAGRBSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107614550 1367073591 /nfs/dbraw/zinc/07/35/91/1367073591.db2.gz FPURMSHFNFJKQK-YKMDAGRBSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107614550 1367073596 /nfs/dbraw/zinc/07/35/96/1367073596.db2.gz FPURMSHFNFJKQK-YKMDAGRBSA-N 2 1 335.536 3.045 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001109417896 1367112290 /nfs/dbraw/zinc/11/22/90/1367112290.db2.gz QOAWXHKDIXVLAG-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001109417896 1367112296 /nfs/dbraw/zinc/11/22/96/1367112296.db2.gz QOAWXHKDIXVLAG-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001109417896 1367112301 /nfs/dbraw/zinc/11/23/01/1367112301.db2.gz QOAWXHKDIXVLAG-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109419298 1367112932 /nfs/dbraw/zinc/11/29/32/1367112932.db2.gz NGAXGUWBEPPGHJ-CFXMGXPISA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001109419298 1367112934 /nfs/dbraw/zinc/11/29/34/1367112934.db2.gz NGAXGUWBEPPGHJ-CFXMGXPISA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001109419298 1367112937 /nfs/dbraw/zinc/11/29/37/1367112937.db2.gz NGAXGUWBEPPGHJ-CFXMGXPISA-N 2 1 347.547 3.329 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189872236 1367121632 /nfs/dbraw/zinc/12/16/32/1367121632.db2.gz WDZRLALXJBXWLA-YZGWKJHDSA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001109464255 1367138164 /nfs/dbraw/zinc/13/81/64/1367138164.db2.gz SSOINKDZNQTYNM-QYZOEREBSA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001109464255 1367138173 /nfs/dbraw/zinc/13/81/73/1367138173.db2.gz SSOINKDZNQTYNM-QYZOEREBSA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001109464255 1367138179 /nfs/dbraw/zinc/13/81/79/1367138179.db2.gz SSOINKDZNQTYNM-QYZOEREBSA-N 2 1 349.563 3.409 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001109473906 1367145758 /nfs/dbraw/zinc/14/57/58/1367145758.db2.gz JRQFVWISBMPKPP-LIAHNQMCSA-N 2 1 347.547 3.185 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001109473906 1367145762 /nfs/dbraw/zinc/14/57/62/1367145762.db2.gz JRQFVWISBMPKPP-LIAHNQMCSA-N 2 1 347.547 3.185 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001109473906 1367145766 /nfs/dbraw/zinc/14/57/66/1367145766.db2.gz JRQFVWISBMPKPP-LIAHNQMCSA-N 2 1 347.547 3.185 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001186067644 1387858363 /nfs/dbraw/zinc/85/83/63/1387858363.db2.gz PAWUGSGNOSJBLZ-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP C[N@@H+](CCC(C)(C)C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190179198 1367193927 /nfs/dbraw/zinc/19/39/27/1367193927.db2.gz ZRTXKMGQTIURHX-KRWDZBQOSA-N 2 1 337.552 3.220 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CC1)C1CCCCC1 ZINC001109560452 1367198752 /nfs/dbraw/zinc/19/87/52/1367198752.db2.gz AOAOMDSAAPACJM-AABGKKOBSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1)C1CCCCC1 ZINC001109560452 1367198756 /nfs/dbraw/zinc/19/87/56/1367198756.db2.gz AOAOMDSAAPACJM-AABGKKOBSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1)C1CCCCC1 ZINC001109560452 1367198760 /nfs/dbraw/zinc/19/87/60/1367198760.db2.gz AOAOMDSAAPACJM-AABGKKOBSA-N 2 1 347.547 3.163 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190324749 1367226982 /nfs/dbraw/zinc/22/69/82/1367226982.db2.gz NMNOINXPMOEZCG-IKLBINMZSA-N 2 1 347.547 3.142 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)c1 ZINC001109655275 1367266723 /nfs/dbraw/zinc/26/67/23/1367266723.db2.gz NMRXJYKNVVCCNV-RNQOJCNYSA-N 2 1 343.515 3.119 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001190485364 1367274114 /nfs/dbraw/zinc/27/41/14/1367274114.db2.gz ZPOBMNVUJDWKEC-JNVNVXKGSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001190485364 1367274118 /nfs/dbraw/zinc/27/41/18/1367274118.db2.gz ZPOBMNVUJDWKEC-JNVNVXKGSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001190485364 1367274122 /nfs/dbraw/zinc/27/41/22/1367274122.db2.gz ZPOBMNVUJDWKEC-JNVNVXKGSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656940 1367320314 /nfs/dbraw/zinc/32/03/14/1367320314.db2.gz YDCILWQWCGIPJT-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190656940 1367320318 /nfs/dbraw/zinc/32/03/18/1367320318.db2.gz YDCILWQWCGIPJT-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190656940 1367320321 /nfs/dbraw/zinc/32/03/21/1367320321.db2.gz YDCILWQWCGIPJT-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799175 1367328823 /nfs/dbraw/zinc/32/88/23/1367328823.db2.gz MHKDBEVTDDWLMO-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCC2)C1 ZINC001191079616 1367419508 /nfs/dbraw/zinc/41/95/08/1367419508.db2.gz BOZFQILHXHFXGU-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1 ZINC001191079616 1367419512 /nfs/dbraw/zinc/41/95/12/1367419512.db2.gz BOZFQILHXHFXGU-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001191079616 1367419513 /nfs/dbraw/zinc/41/95/13/1367419513.db2.gz BOZFQILHXHFXGU-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191550307 1367525982 /nfs/dbraw/zinc/52/59/82/1367525982.db2.gz BKUJURRKOGZPEU-HKUYNNGSSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@H](C)C[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001191550307 1367525988 /nfs/dbraw/zinc/52/59/88/1367525988.db2.gz BKUJURRKOGZPEU-HKUYNNGSSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@H](C)C[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001191550307 1367525992 /nfs/dbraw/zinc/52/59/92/1367525992.db2.gz BKUJURRKOGZPEU-HKUYNNGSSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CC[C@H]([N@@H+](C)CCCC3CCC3)C2)CCCC1 ZINC001191560411 1367527624 /nfs/dbraw/zinc/52/76/24/1367527624.db2.gz FNOQCYKMLDUFMP-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161774 1367534805 /nfs/dbraw/zinc/53/48/05/1367534805.db2.gz SJJUBOYRRNPUOW-FYQPLNBISA-N 2 1 349.563 3.265 20 0 EGADMP CC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001108765812 1367581177 /nfs/dbraw/zinc/58/11/77/1367581177.db2.gz SYFWTTDMVHRZBX-CXLTZZKYSA-N 2 1 347.547 3.044 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CC)C2 ZINC001108794094 1367599897 /nfs/dbraw/zinc/59/98/97/1367599897.db2.gz NZCHEKZRFXXQTO-QHWWWDCYSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1)[NH+](CC)CC ZINC001192326871 1367754262 /nfs/dbraw/zinc/75/42/62/1367754262.db2.gz UBGYHVSQIKIDTB-QZTJIDSGSA-N 2 1 337.552 3.076 20 0 EGADMP Cc1cccc(C[NH+](C)[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)c1 ZINC001192384890 1367769690 /nfs/dbraw/zinc/76/96/90/1367769690.db2.gz BJBMROMWFSWFKS-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)c1 ZINC001192384890 1367769694 /nfs/dbraw/zinc/76/96/94/1367769694.db2.gz BJBMROMWFSWFKS-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110544825 1367821857 /nfs/dbraw/zinc/82/18/57/1367821857.db2.gz HGKBEZSLIUBUOL-GDFACCDQSA-N 2 1 347.547 3.327 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110544825 1367821864 /nfs/dbraw/zinc/82/18/64/1367821864.db2.gz HGKBEZSLIUBUOL-GDFACCDQSA-N 2 1 347.547 3.327 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001110544825 1367821869 /nfs/dbraw/zinc/82/18/69/1367821869.db2.gz HGKBEZSLIUBUOL-GDFACCDQSA-N 2 1 347.547 3.327 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001110576664 1367844215 /nfs/dbraw/zinc/84/42/15/1367844215.db2.gz VELGCFPSJDOKCU-DRGFIHASSA-N 2 1 347.547 3.185 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001110576664 1367844221 /nfs/dbraw/zinc/84/42/21/1367844221.db2.gz VELGCFPSJDOKCU-DRGFIHASSA-N 2 1 347.547 3.185 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001110576664 1367844224 /nfs/dbraw/zinc/84/42/24/1367844224.db2.gz VELGCFPSJDOKCU-DRGFIHASSA-N 2 1 347.547 3.185 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1)C(C)C ZINC001192918386 1367904927 /nfs/dbraw/zinc/90/49/27/1367904927.db2.gz ZKLIFIGTYOYQFE-ROUUACIJSA-N 2 1 339.568 3.322 20 0 EGADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1)C1CC1 ZINC001110666444 1367905716 /nfs/dbraw/zinc/90/57/16/1367905716.db2.gz LMETVXWEDQBEQY-ZRNYENFQSA-N 2 1 347.547 3.019 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC(C)(C)CC1)[NH+](C)C ZINC001110716047 1367944326 /nfs/dbraw/zinc/94/43/26/1367944326.db2.gz HVFNQDVPONLYIQ-MKXGPGLRSA-N 2 1 349.563 3.265 20 0 EGADMP C[N@@H+](CCC(C)(C)C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383256 1368015961 /nfs/dbraw/zinc/01/59/61/1368015961.db2.gz RFJLQJTWERFVSH-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001110847009 1368027748 /nfs/dbraw/zinc/02/77/48/1368027748.db2.gz GYCWVXVJRKBMCY-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CC2)CCCCC1 ZINC001110857477 1368037413 /nfs/dbraw/zinc/03/74/13/1368037413.db2.gz CJVQHYFDBXDTAA-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110857748 1368038002 /nfs/dbraw/zinc/03/80/02/1368038002.db2.gz PILRIRWPJDIEPN-AFYVEPGGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001110857748 1368038006 /nfs/dbraw/zinc/03/80/06/1368038006.db2.gz PILRIRWPJDIEPN-AFYVEPGGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001110857748 1368038012 /nfs/dbraw/zinc/03/80/12/1368038012.db2.gz PILRIRWPJDIEPN-AFYVEPGGSA-N 2 1 349.563 3.409 20 0 EGADMP C[NH+](C)C1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(C)(C)C)CCCC1 ZINC001110862361 1368042124 /nfs/dbraw/zinc/04/21/24/1368042124.db2.gz LZWSYHUYAVSBAO-KURKYZTESA-N 2 1 349.563 3.409 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110885938 1368059760 /nfs/dbraw/zinc/05/97/60/1368059760.db2.gz DLEKQDOYULPUQS-RTUSNTFBSA-N 2 1 347.547 3.329 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2ccccc2C)C1 ZINC001193600939 1368070246 /nfs/dbraw/zinc/07/02/46/1368070246.db2.gz OXTLEZNJFAVGFF-RBUKOAKNSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001193600939 1368070249 /nfs/dbraw/zinc/07/02/49/1368070249.db2.gz OXTLEZNJFAVGFF-RBUKOAKNSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001193600939 1368070256 /nfs/dbraw/zinc/07/02/56/1368070256.db2.gz OXTLEZNJFAVGFF-RBUKOAKNSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2cccc(CC)c2)C1 ZINC001193601065 1368071435 /nfs/dbraw/zinc/07/14/35/1368071435.db2.gz RHYZJQVYEKRCEG-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2cccc(CC)c2)C1 ZINC001193601065 1368071438 /nfs/dbraw/zinc/07/14/38/1368071438.db2.gz RHYZJQVYEKRCEG-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(CC)c2)C1 ZINC001193601065 1368071442 /nfs/dbraw/zinc/07/14/42/1368071442.db2.gz RHYZJQVYEKRCEG-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2C(C)C)C1 ZINC001193643361 1368083379 /nfs/dbraw/zinc/08/33/79/1368083379.db2.gz SURPZZMPWSYEJP-LJQANCHMSA-N 2 1 345.531 3.185 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C(C)C)C1 ZINC001193643361 1368083382 /nfs/dbraw/zinc/08/33/82/1368083382.db2.gz SURPZZMPWSYEJP-LJQANCHMSA-N 2 1 345.531 3.185 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C(C)C)C1 ZINC001193643361 1368083385 /nfs/dbraw/zinc/08/33/85/1368083385.db2.gz SURPZZMPWSYEJP-LJQANCHMSA-N 2 1 345.531 3.185 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110994112 1368138037 /nfs/dbraw/zinc/13/80/37/1368138037.db2.gz OTEUBKTVYFEMJH-WHESZECBSA-N 2 1 335.536 3.041 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)C1 ZINC001111161643 1368172080 /nfs/dbraw/zinc/17/20/80/1368172080.db2.gz VACUUIUTPVCADI-WKXIVMOISA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ccccc1C ZINC001111169455 1368180080 /nfs/dbraw/zinc/18/00/80/1368180080.db2.gz UVRHCWAGFYJMLZ-CUDHKJQZSA-N 2 1 343.515 3.119 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227683 1368212942 /nfs/dbraw/zinc/21/29/42/1368212942.db2.gz LVWIMBARVMOLDF-FQEVSTJZSA-N 2 1 345.531 3.331 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001194265206 1368219370 /nfs/dbraw/zinc/21/93/70/1368219370.db2.gz BXQWWMNDZHKFMV-YMHTTXFNSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001194265206 1368219373 /nfs/dbraw/zinc/21/93/73/1368219373.db2.gz BXQWWMNDZHKFMV-YMHTTXFNSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001194265206 1368219376 /nfs/dbraw/zinc/21/93/76/1368219376.db2.gz BXQWWMNDZHKFMV-YMHTTXFNSA-N 2 1 335.536 3.140 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001194265401 1368219936 /nfs/dbraw/zinc/21/99/36/1368219936.db2.gz CVFANMPDTFVGEE-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001194265401 1368219938 /nfs/dbraw/zinc/21/99/38/1368219938.db2.gz CVFANMPDTFVGEE-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001194265401 1368219944 /nfs/dbraw/zinc/21/99/44/1368219944.db2.gz CVFANMPDTFVGEE-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH2+][C@H](C)CC[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC001325320190 1387933293 /nfs/dbraw/zinc/93/32/93/1387933293.db2.gz OBHKSUGBTUDFDG-CYBMUJFWSA-N 2 1 334.895 3.289 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC(C)(C)C)C2 ZINC001111870662 1368518062 /nfs/dbraw/zinc/51/80/62/1368518062.db2.gz IKBAJDPRHIXUJD-WFXMLNOXSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC(C)(C)C)C2 ZINC001111870662 1368518064 /nfs/dbraw/zinc/51/80/64/1368518064.db2.gz IKBAJDPRHIXUJD-WFXMLNOXSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC(C)(C)C)C2 ZINC001111870662 1368518068 /nfs/dbraw/zinc/51/80/68/1368518068.db2.gz IKBAJDPRHIXUJD-WFXMLNOXSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001196201316 1368566818 /nfs/dbraw/zinc/56/68/18/1368566818.db2.gz YETPXCZIXDUFBE-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001196201316 1368566823 /nfs/dbraw/zinc/56/68/23/1368566823.db2.gz YETPXCZIXDUFBE-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001196201316 1368566825 /nfs/dbraw/zinc/56/68/25/1368566825.db2.gz YETPXCZIXDUFBE-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388955 1368604663 /nfs/dbraw/zinc/60/46/63/1368604663.db2.gz XJPBTSGHYGISAM-PXDRNWIDSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001196388955 1368604668 /nfs/dbraw/zinc/60/46/68/1368604668.db2.gz XJPBTSGHYGISAM-PXDRNWIDSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001196388955 1368604670 /nfs/dbraw/zinc/60/46/70/1368604670.db2.gz XJPBTSGHYGISAM-PXDRNWIDSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009523 1368613219 /nfs/dbraw/zinc/61/32/19/1368613219.db2.gz HHUICXGBSQIWCL-LGYYHMKYSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001112009523 1368613223 /nfs/dbraw/zinc/61/32/23/1368613223.db2.gz HHUICXGBSQIWCL-LGYYHMKYSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001112009523 1368613226 /nfs/dbraw/zinc/61/32/26/1368613226.db2.gz HHUICXGBSQIWCL-LGYYHMKYSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619670 1368650949 /nfs/dbraw/zinc/65/09/49/1368650949.db2.gz HRZPRYLTFZYTHC-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619931 1368651138 /nfs/dbraw/zinc/65/11/38/1368651138.db2.gz PMBIWYKAUHKZIL-SGSXCFNPSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CCCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001196962916 1368721697 /nfs/dbraw/zinc/72/16/97/1368721697.db2.gz LDPOTGWDOJPHLN-RTBURBONSA-N 2 1 337.552 3.079 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+]2CCCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001196963270 1368721741 /nfs/dbraw/zinc/72/17/41/1368721741.db2.gz PTQUIINUXUOGEI-LJQANCHMSA-N 2 1 345.531 3.241 20 0 EGADMP CC[C@@H](C(=O)N1CCC[N@H+]([C@H](C)c2ccccc2)CC1)[NH+](CC)CC ZINC001197141591 1368753680 /nfs/dbraw/zinc/75/36/80/1368753680.db2.gz JUADPFRHWAYDMR-QUCCMNQESA-N 2 1 345.531 3.402 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001197330602 1368789515 /nfs/dbraw/zinc/78/95/15/1368789515.db2.gz CCUIWKLUMGJKTR-VZSQWMKGSA-N 2 1 335.536 3.142 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N2CCC[N@@H+](CCCCCF)CC2)cc1 ZINC001197448106 1368816754 /nfs/dbraw/zinc/81/67/54/1368816754.db2.gz QFQNVMPKHDWRNC-UHFFFAOYSA-N 2 1 349.494 3.036 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[NH+](CC2CCCC2)CC1 ZINC001197477916 1368822999 /nfs/dbraw/zinc/82/29/99/1368822999.db2.gz OEHHWEVRBBCXNT-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@H+](CC2CCCC2)CC1 ZINC001197477916 1368823008 /nfs/dbraw/zinc/82/30/08/1368823008.db2.gz OEHHWEVRBBCXNT-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@@H+](CC2CCCC2)CC1 ZINC001197477916 1368823013 /nfs/dbraw/zinc/82/30/13/1368823013.db2.gz OEHHWEVRBBCXNT-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CC(C)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001112431226 1368846430 /nfs/dbraw/zinc/84/64/30/1368846430.db2.gz DMDGGZGSYVYDSO-ZJOUEHCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2cc(C)ccc2C)CC1 ZINC001197907461 1368922487 /nfs/dbraw/zinc/92/24/87/1368922487.db2.gz FJZRQQBEAPAHCY-UHFFFAOYSA-N 2 1 345.531 3.070 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC001197922385 1368924456 /nfs/dbraw/zinc/92/44/56/1368924456.db2.gz QZWLLLQLMKRKMP-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[N@@H+]([C@H](CC)c2ccccc2)CC1 ZINC001197922385 1368924459 /nfs/dbraw/zinc/92/44/59/1368924459.db2.gz QZWLLLQLMKRKMP-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001112966462 1369113475 /nfs/dbraw/zinc/11/34/75/1369113475.db2.gz ZUIFNOIKFBCLIV-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+](C(C)C)CC2)CC1 ZINC001186605517 1387983377 /nfs/dbraw/zinc/98/33/77/1387983377.db2.gz ONXJSSUURCEZKU-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001186605517 1387983380 /nfs/dbraw/zinc/98/33/80/1387983380.db2.gz ONXJSSUURCEZKU-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC001186605517 1387983385 /nfs/dbraw/zinc/98/33/85/1387983385.db2.gz ONXJSSUURCEZKU-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)c2c[nH+]ccc2N2CCCC2)CC1 ZINC001199370868 1369215547 /nfs/dbraw/zinc/21/55/47/1369215547.db2.gz KZEIEDZJUUEWMF-CALCHBBNSA-N 2 1 344.503 3.065 20 0 EGADMP CC[C@H](C(=O)N1CC[NH+]([C@H](C)c2ccccc2C)CC1)[NH+](CC)CC ZINC001113338439 1369357297 /nfs/dbraw/zinc/35/72/97/1369357297.db2.gz CZXTWSMNESIQBH-UYAOXDASSA-N 2 1 345.531 3.321 20 0 EGADMP CC[C@@H](C(=O)N1CC[NH+](CCC2=CCCCC2)CC1)[NH+](CC)CC ZINC001113341228 1369359460 /nfs/dbraw/zinc/35/94/60/1369359460.db2.gz OXIOCESPQVBNIO-IBGZPJMESA-N 2 1 335.536 3.142 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001113355843 1369367068 /nfs/dbraw/zinc/36/70/68/1369367068.db2.gz RZXRSCAAATUJKD-LJQANCHMSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001113355843 1369367071 /nfs/dbraw/zinc/36/70/71/1369367071.db2.gz RZXRSCAAATUJKD-LJQANCHMSA-N 2 1 345.531 3.260 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001200577729 1369393250 /nfs/dbraw/zinc/39/32/50/1369393250.db2.gz FNCRVBPOBBHUBH-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001200578563 1369393486 /nfs/dbraw/zinc/39/34/86/1369393486.db2.gz XFUGPDZBENGIIJ-GOSISDBHSA-N 2 1 347.547 3.188 20 0 EGADMP CCCCCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001113519950 1369475037 /nfs/dbraw/zinc/47/50/37/1369475037.db2.gz FMQHIZGHOPMVJN-LJQANCHMSA-N 2 1 337.552 3.366 20 0 EGADMP CCCCCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001113519950 1369475044 /nfs/dbraw/zinc/47/50/44/1369475044.db2.gz FMQHIZGHOPMVJN-LJQANCHMSA-N 2 1 337.552 3.366 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001113674663 1369560140 /nfs/dbraw/zinc/56/01/40/1369560140.db2.gz DQRCTWFUTMHTPT-SREVYHEPSA-N 2 1 343.515 3.252 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001113682546 1369563004 /nfs/dbraw/zinc/56/30/04/1369563004.db2.gz HGVHDONUDPQWRF-YJJPMGAVSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001113682545 1369563013 /nfs/dbraw/zinc/56/30/13/1369563013.db2.gz HGVHDONUDPQWRF-ROUKRRSUSA-N 2 1 349.563 3.388 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001201527936 1369566214 /nfs/dbraw/zinc/56/62/14/1369566214.db2.gz FMXNOACEDJNQRY-WOJBJXKFSA-N 2 1 331.504 3.041 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001201527936 1369566215 /nfs/dbraw/zinc/56/62/15/1369566215.db2.gz FMXNOACEDJNQRY-WOJBJXKFSA-N 2 1 331.504 3.041 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001201527936 1369566217 /nfs/dbraw/zinc/56/62/17/1369566217.db2.gz FMXNOACEDJNQRY-WOJBJXKFSA-N 2 1 331.504 3.041 20 0 EGADMP C[N@@H+](CC(=O)N1CCC([NH2+]CCC2CCCC2)CC1)CC(C)(C)C ZINC001202538764 1369802951 /nfs/dbraw/zinc/80/29/51/1369802951.db2.gz BAZFOJYAZQCPGR-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001202714633 1369862967 /nfs/dbraw/zinc/86/29/67/1369862967.db2.gz IQVDPAJGRICWPE-UHFFFAOYSA-N 2 1 334.508 3.167 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001202763833 1369882792 /nfs/dbraw/zinc/88/27/92/1369882792.db2.gz IDUIWMPAPCOARP-SFHVURJKSA-N 2 1 337.552 3.266 20 0 EGADMP O=C([C@H]1CCC[C@@H]2CCC[N@H+]21)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001202872807 1369914148 /nfs/dbraw/zinc/91/41/48/1369914148.db2.gz QFHOCGCKMOQVOC-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001114403120 1369933686 /nfs/dbraw/zinc/93/36/86/1369933686.db2.gz NGMWCCOFBOMEPQ-IQEWJBNJSA-N 2 1 347.547 3.042 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2C(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001114403120 1369933690 /nfs/dbraw/zinc/93/36/90/1369933690.db2.gz NGMWCCOFBOMEPQ-IQEWJBNJSA-N 2 1 347.547 3.042 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2C(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001114403120 1369933692 /nfs/dbraw/zinc/93/36/92/1369933692.db2.gz NGMWCCOFBOMEPQ-IQEWJBNJSA-N 2 1 347.547 3.042 20 0 EGADMP CCC1(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)COC1 ZINC001202969528 1369940714 /nfs/dbraw/zinc/94/07/14/1369940714.db2.gz YXGCZHYZIQLTQE-VQTJNVASSA-N 2 1 328.500 3.257 20 0 EGADMP CCC1(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)COC1 ZINC001202969528 1369940717 /nfs/dbraw/zinc/94/07/17/1369940717.db2.gz YXGCZHYZIQLTQE-VQTJNVASSA-N 2 1 328.500 3.257 20 0 EGADMP CCC1(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)COC1 ZINC001202969528 1369940720 /nfs/dbraw/zinc/94/07/20/1369940720.db2.gz YXGCZHYZIQLTQE-VQTJNVASSA-N 2 1 328.500 3.257 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC([NH2+]CCCCC)CC1 ZINC001202973730 1369942730 /nfs/dbraw/zinc/94/27/30/1369942730.db2.gz NCHMYXQXQURLJM-UHFFFAOYSA-N 2 1 325.541 3.269 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417716 1370117991 /nfs/dbraw/zinc/11/79/91/1370117991.db2.gz BMOUQZYJKKPGEN-QZTJIDSGSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203453023 1370132057 /nfs/dbraw/zinc/13/20/57/1370132057.db2.gz QQSAOAGOHZPFBH-DLBZAZTESA-N 2 1 346.519 3.070 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203640950 1370197477 /nfs/dbraw/zinc/19/74/77/1370197477.db2.gz KYKXDAZZBKPCFQ-IRXDYDNUSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203652550 1370202499 /nfs/dbraw/zinc/20/24/99/1370202499.db2.gz VOFPNYZEOXSJHP-OALUTQOASA-N 2 1 349.563 3.316 20 0 EGADMP Cc1ccccc1C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001203702126 1370226365 /nfs/dbraw/zinc/22/63/65/1370226365.db2.gz WXPSHNDOSFCBAO-NHCUHLMSSA-N 2 1 328.500 3.175 20 0 EGADMP Cc1ccccc1C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001203702126 1370226369 /nfs/dbraw/zinc/22/63/69/1370226369.db2.gz WXPSHNDOSFCBAO-NHCUHLMSSA-N 2 1 328.500 3.175 20 0 EGADMP Cc1ccccc1C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001203702126 1370226375 /nfs/dbraw/zinc/22/63/75/1370226375.db2.gz WXPSHNDOSFCBAO-NHCUHLMSSA-N 2 1 328.500 3.175 20 0 EGADMP CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](CCC)CCC ZINC001115116980 1370290912 /nfs/dbraw/zinc/29/09/12/1370290912.db2.gz RPXANVQEEXLPRD-RUYXUALKSA-N 2 1 337.552 3.125 20 0 EGADMP Oc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1 ZINC001203862845 1370293806 /nfs/dbraw/zinc/29/38/06/1370293806.db2.gz VNVCTNUZLNWTJW-UHFFFAOYSA-N 2 1 326.440 3.473 20 0 EGADMP CCCCC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203919707 1370314935 /nfs/dbraw/zinc/31/49/35/1370314935.db2.gz XNKNKSKSILRZQL-LJQANCHMSA-N 2 1 331.504 3.060 20 0 EGADMP Cc1ccsc1C[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001204021755 1370350896 /nfs/dbraw/zinc/35/08/96/1370350896.db2.gz QYCYBYHQUCFFJS-ZWKOTPCHSA-N 2 1 334.529 3.379 20 0 EGADMP Cc1ccsc1C[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001204021755 1370350898 /nfs/dbraw/zinc/35/08/98/1370350898.db2.gz QYCYBYHQUCFFJS-ZWKOTPCHSA-N 2 1 334.529 3.379 20 0 EGADMP Cc1ccsc1C[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001204021755 1370350906 /nfs/dbraw/zinc/35/09/06/1370350906.db2.gz QYCYBYHQUCFFJS-ZWKOTPCHSA-N 2 1 334.529 3.379 20 0 EGADMP Cc1ccsc1C[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001204021755 1370350913 /nfs/dbraw/zinc/35/09/13/1370350913.db2.gz QYCYBYHQUCFFJS-ZWKOTPCHSA-N 2 1 334.529 3.379 20 0 EGADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001204148318 1370390424 /nfs/dbraw/zinc/39/04/24/1370390424.db2.gz ITGUCBALWCXFTQ-OALUTQOASA-N 2 1 330.472 3.312 20 0 EGADMP COC(=O)c1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001204148318 1370390426 /nfs/dbraw/zinc/39/04/26/1370390426.db2.gz ITGUCBALWCXFTQ-OALUTQOASA-N 2 1 330.472 3.312 20 0 EGADMP COC(=O)c1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cc1 ZINC001204148318 1370390431 /nfs/dbraw/zinc/39/04/31/1370390431.db2.gz ITGUCBALWCXFTQ-OALUTQOASA-N 2 1 330.472 3.312 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CCC[C@]1(C)O ZINC001204263099 1370425353 /nfs/dbraw/zinc/42/53/53/1370425353.db2.gz GOOUIUONOWEHOX-XLIONFOSSA-N 2 1 334.504 3.000 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@@H+](CCO)Cc2ccccc2)cc1 ZINC001204263658 1370426071 /nfs/dbraw/zinc/42/60/71/1370426071.db2.gz AAYLULMPQVMPTR-UHFFFAOYSA-N 2 1 342.483 3.012 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)cc1 ZINC001204265395 1370426340 /nfs/dbraw/zinc/42/63/40/1370426340.db2.gz GNISEGOERKXIJQ-UXHICEINSA-N 2 1 344.499 3.351 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)cc1 ZINC001204265395 1370426342 /nfs/dbraw/zinc/42/63/42/1370426342.db2.gz GNISEGOERKXIJQ-UXHICEINSA-N 2 1 344.499 3.351 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)c(C)c1)C2 ZINC001204352668 1370451084 /nfs/dbraw/zinc/45/10/84/1370451084.db2.gz UBQYYBXSIJMJRJ-VXKWHMMOSA-N 2 1 342.527 3.484 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C)c(C)c1)C2 ZINC001204352668 1370451086 /nfs/dbraw/zinc/45/10/86/1370451086.db2.gz UBQYYBXSIJMJRJ-VXKWHMMOSA-N 2 1 342.527 3.484 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C)c(C)c1)C2 ZINC001204352668 1370451090 /nfs/dbraw/zinc/45/10/90/1370451090.db2.gz UBQYYBXSIJMJRJ-VXKWHMMOSA-N 2 1 342.527 3.484 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115450434 1370458096 /nfs/dbraw/zinc/45/80/96/1370458096.db2.gz APAFATZPSFPOQE-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP Cc1c(F)cccc1CN1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001204509151 1370497509 /nfs/dbraw/zinc/49/75/09/1370497509.db2.gz MFBRPSSBLJPYCT-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1c(F)cccc1C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001204509151 1370497513 /nfs/dbraw/zinc/49/75/13/1370497513.db2.gz MFBRPSSBLJPYCT-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1c(F)cccc1C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001204509151 1370497516 /nfs/dbraw/zinc/49/75/16/1370497516.db2.gz MFBRPSSBLJPYCT-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1c(F)cccc1C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001204509151 1370497518 /nfs/dbraw/zinc/49/75/18/1370497518.db2.gz MFBRPSSBLJPYCT-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1c(F)cccc1C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001204509151 1370497522 /nfs/dbraw/zinc/49/75/22/1370497522.db2.gz MFBRPSSBLJPYCT-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115534956 1370532456 /nfs/dbraw/zinc/53/24/56/1370532456.db2.gz DHJLDDGEZAGASA-SFHVURJKSA-N 2 1 337.552 3.314 20 0 EGADMP Brc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)s1 ZINC001204735148 1370559476 /nfs/dbraw/zinc/55/94/76/1370559476.db2.gz LTAXCNDVVUPBRM-UHFFFAOYSA-N 2 1 329.307 3.476 20 0 EGADMP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204756051 1370567304 /nfs/dbraw/zinc/56/73/04/1370567304.db2.gz KIZWBGHANXZLCA-KRWDZBQOSA-N 2 1 328.456 3.177 20 0 EGADMP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204756051 1370567306 /nfs/dbraw/zinc/56/73/06/1370567306.db2.gz KIZWBGHANXZLCA-KRWDZBQOSA-N 2 1 328.456 3.177 20 0 EGADMP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC001115572955 1370575356 /nfs/dbraw/zinc/57/53/56/1370575356.db2.gz BBNQUCMQONMULN-IAGOWNOFSA-N 2 1 346.519 3.215 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115573208 1370575810 /nfs/dbraw/zinc/57/58/10/1370575810.db2.gz MSCLVMYUYIUIGL-SFHVURJKSA-N 2 1 337.552 3.314 20 0 EGADMP CC[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC001204798798 1370578288 /nfs/dbraw/zinc/57/82/88/1370578288.db2.gz OGOJYCSPCQOATF-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1 ZINC001115601542 1370601175 /nfs/dbraw/zinc/60/11/75/1370601175.db2.gz GERPNZXUYKPVFR-UHFFFAOYSA-N 2 1 337.552 3.172 20 0 EGADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205220911 1370686456 /nfs/dbraw/zinc/68/64/56/1370686456.db2.gz NONUTIQPVKMEHW-NRFANRHFSA-N 2 1 340.467 3.038 20 0 EGADMP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205242399 1370692826 /nfs/dbraw/zinc/69/28/26/1370692826.db2.gz OGJZYSINQAXTHR-ROUKRRSUSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2c[nH]c3ncc(Br)cc23)CC1 ZINC001205272979 1370703314 /nfs/dbraw/zinc/70/33/14/1370703314.db2.gz BQJMMVAVRHGENU-OAHLLOKOSA-N 2 1 337.265 3.029 20 0 EGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3ncc(Br)cc23)CC1 ZINC001205272979 1370703316 /nfs/dbraw/zinc/70/33/16/1370703316.db2.gz BQJMMVAVRHGENU-OAHLLOKOSA-N 2 1 337.265 3.029 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115730454 1370712764 /nfs/dbraw/zinc/71/27/64/1370712764.db2.gz JVCAPYDIOXUAPA-IEBWSBKVSA-N 2 1 349.563 3.173 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccnc(OCc3ccccc3)c2)C[C@H]1C[NH3+] ZINC001205316693 1370719090 /nfs/dbraw/zinc/71/90/90/1370719090.db2.gz KHSCSXHDNWPDOE-QFBILLFUSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccnc(OCc3ccccc3)c2)C[C@H]1C[NH3+] ZINC001205316693 1370719092 /nfs/dbraw/zinc/71/90/92/1370719092.db2.gz KHSCSXHDNWPDOE-QFBILLFUSA-N 2 1 325.456 3.077 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205318842 1370721282 /nfs/dbraw/zinc/72/12/82/1370721282.db2.gz XCQOIVSUFMDAIC-LSDHHAIUSA-N 2 1 343.471 3.070 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205318842 1370721284 /nfs/dbraw/zinc/72/12/84/1370721284.db2.gz XCQOIVSUFMDAIC-LSDHHAIUSA-N 2 1 343.471 3.070 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc3cc(Br)cnc3c2)C[C@H]1C[NH3+] ZINC001205319353 1370721306 /nfs/dbraw/zinc/72/13/06/1370721306.db2.gz ZGMHIQSNYXOFHN-SWLSCSKDSA-N 2 1 348.288 3.414 20 0 EGADMP CC[C@@H](C)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCCCC1 ZINC001115754011 1370735319 /nfs/dbraw/zinc/73/53/19/1370735319.db2.gz LFKCIZOIDLZORZ-QGZVFWFLSA-N 2 1 348.535 3.461 20 0 EGADMP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205461523 1370762372 /nfs/dbraw/zinc/76/23/72/1370762372.db2.gz LZEVLZLPIHFXHJ-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001205462463 1370763641 /nfs/dbraw/zinc/76/36/41/1370763641.db2.gz YZUHZOAYYYUTHK-SFHVURJKSA-N 2 1 346.519 3.025 20 0 EGADMP C[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)nc1 ZINC001205543790 1370786705 /nfs/dbraw/zinc/78/67/05/1370786705.db2.gz DYLJNIFWUGLOQS-OAQYLSRUSA-N 2 1 336.483 3.315 20 0 EGADMP CCn1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001205545135 1370787135 /nfs/dbraw/zinc/78/71/35/1370787135.db2.gz WIGHAQKUPICNAA-UHFFFAOYSA-N 2 1 326.488 3.247 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCCCC1 ZINC001115806009 1370789850 /nfs/dbraw/zinc/78/98/50/1370789850.db2.gz LSHHFMBXDOGAQK-UHFFFAOYSA-N 2 1 325.541 3.173 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc(C(F)(F)F)c1 ZINC001205570098 1370795492 /nfs/dbraw/zinc/79/54/92/1370795492.db2.gz FUTSYPNOMSUYSK-HNNXBMFYSA-N 2 1 334.357 3.367 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2Br)CC[C@H]1C[NH3+] ZINC001205618296 1370812343 /nfs/dbraw/zinc/81/23/43/1370812343.db2.gz UGSPGSUHQUNPCW-RYUDHWBXSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cnc(Br)cc2Cl)CC[C@H]1C[NH3+] ZINC001205625580 1370816148 /nfs/dbraw/zinc/81/61/48/1370816148.db2.gz BMXGPSVYNSIICF-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cnc(Br)cc2Cl)CC[C@H]1C[NH3+] ZINC001205625580 1370816151 /nfs/dbraw/zinc/81/61/51/1370816151.db2.gz BMXGPSVYNSIICF-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc1OC(=O)C(C)C ZINC001205627389 1370816453 /nfs/dbraw/zinc/81/64/53/1370816453.db2.gz PCBRJOCHVABUNH-DOTOQJQBSA-N 2 1 348.487 3.063 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccnc(Cl)c2Br)CC[C@H]1C[NH3+] ZINC001205636644 1370820984 /nfs/dbraw/zinc/82/09/84/1370820984.db2.gz FBJDYZQYDABRIP-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2Br)CC[C@H]1C[NH3+] ZINC001205636644 1370820985 /nfs/dbraw/zinc/82/09/85/1370820985.db2.gz FBJDYZQYDABRIP-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP Cc1cc(Br)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1O ZINC001205651189 1370827415 /nfs/dbraw/zinc/82/74/15/1370827415.db2.gz AZALHDOUDOOKJD-AAEUAGOBSA-N 2 1 341.293 3.270 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CC[C@@H]1C[NH3+] ZINC001205652304 1370828268 /nfs/dbraw/zinc/82/82/68/1370828268.db2.gz PEEVLJJWVKNCJL-QWHCGFSZSA-N 2 1 333.863 3.401 20 0 EGADMP COc1ccccc1-c1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205671570 1370837879 /nfs/dbraw/zinc/83/78/79/1370837879.db2.gz CPNIBGARMMPAOR-NRFANRHFSA-N 2 1 340.467 3.038 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC001205682766 1370841548 /nfs/dbraw/zinc/84/15/48/1370841548.db2.gz UQIDARAHXFXQBC-FQEVSTJZSA-N 2 1 344.430 3.294 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2ccc(Br)cc2[nH]1 ZINC001205902279 1370904796 /nfs/dbraw/zinc/90/47/96/1370904796.db2.gz JMSILPDTILNFLZ-AAEUAGOBSA-N 2 1 336.277 3.490 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c2c(OC)cccc12 ZINC001205901040 1370905264 /nfs/dbraw/zinc/90/52/64/1370905264.db2.gz ATWZIJJCZNBBBV-LSDHHAIUSA-N 2 1 328.456 3.416 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001205917439 1370910198 /nfs/dbraw/zinc/91/01/98/1370910198.db2.gz YPZDVCRCVKCXHN-AAEUAGOBSA-N 2 1 334.357 3.483 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc2c1NC(C)(C)C=C2 ZINC001205924440 1370913470 /nfs/dbraw/zinc/91/34/70/1370913470.db2.gz SYWSFBCIUPKRDH-WMLDXEAASA-N 2 1 329.488 3.472 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CCC[C@@H]1C[NH3+] ZINC001205981699 1370928820 /nfs/dbraw/zinc/92/88/20/1370928820.db2.gz FLXRFPKUYKAAIW-HMXCVIKNSA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[C@@H]1C[NH3+] ZINC001205981699 1370928823 /nfs/dbraw/zinc/92/88/23/1370928823.db2.gz FLXRFPKUYKAAIW-HMXCVIKNSA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[C@@H]1C[NH3+] ZINC001205981699 1370928824 /nfs/dbraw/zinc/92/88/24/1370928824.db2.gz FLXRFPKUYKAAIW-HMXCVIKNSA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1C[N@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CCC[C@@H]1C[NH3+] ZINC001205981699 1370928826 /nfs/dbraw/zinc/92/88/26/1370928826.db2.gz FLXRFPKUYKAAIW-HMXCVIKNSA-N 2 1 329.532 3.205 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CCC[C@@H]1C[NH3+] ZINC001205981699 1370928832 /nfs/dbraw/zinc/92/88/32/1370928832.db2.gz FLXRFPKUYKAAIW-HMXCVIKNSA-N 2 1 329.532 3.205 20 0 EGADMP Cc1c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001116530109 1370930351 /nfs/dbraw/zinc/93/03/51/1370930351.db2.gz DFXFGWFXJJRMMU-CRAIPNDOSA-N 2 1 348.450 3.036 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(Oc3ncccn3)c2)CCC[C@@H]1C[NH3+] ZINC001205995226 1370933061 /nfs/dbraw/zinc/93/30/61/1370933061.db2.gz NIRMDBFHPBATHH-NVXWUHKLSA-N 2 1 326.444 3.076 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1Br ZINC001205996110 1370933273 /nfs/dbraw/zinc/93/32/73/1370933273.db2.gz UURPDAHKVCRVMK-TZMCWYRMSA-N 2 1 341.293 3.265 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001206007016 1370936396 /nfs/dbraw/zinc/93/63/96/1370936396.db2.gz WKTQWMYXSAPTOJ-IBGZPJMESA-N 2 1 337.552 3.127 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1OC(=O)C(C)C ZINC001206015007 1370939096 /nfs/dbraw/zinc/93/90/96/1370939096.db2.gz ZGMHUXVIERDYBM-WBVHZDCISA-N 2 1 348.487 3.063 20 0 EGADMP CCOC(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206023292 1370940864 /nfs/dbraw/zinc/94/08/64/1370940864.db2.gz FQHWXUYVOPGSGS-UONOGXRCSA-N 2 1 338.879 3.324 20 0 EGADMP C[C@H]1C[N@@H+](Cc2csc(-c3ccc(O)cc3)n2)CCC[C@@H]1C[NH3+] ZINC001206024585 1370941112 /nfs/dbraw/zinc/94/11/12/1370941112.db2.gz KJJLKZPXDSOVKA-DZGCQCFKSA-N 2 1 331.485 3.323 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccnc(OCc3ccccc3)c2)CCC[C@H]1C[NH3+] ZINC001206036733 1370944844 /nfs/dbraw/zinc/94/48/44/1370944844.db2.gz PCWZGWSKAUKSFZ-PXNSSMCTSA-N 2 1 339.483 3.467 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@H]1F ZINC001206167061 1370978178 /nfs/dbraw/zinc/97/81/78/1370978178.db2.gz WSPOJRVNUNLNRN-QZTJIDSGSA-N 2 1 338.430 3.287 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@H]1F ZINC001206167061 1370978182 /nfs/dbraw/zinc/97/81/82/1370978182.db2.gz WSPOJRVNUNLNRN-QZTJIDSGSA-N 2 1 338.430 3.287 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)CC[C@H]1F ZINC001206174846 1370979760 /nfs/dbraw/zinc/97/97/60/1370979760.db2.gz PVRDINOWMSIFEV-CABCVRRESA-N 2 1 334.826 3.058 20 0 EGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(O)c(OCc3ccccc3)c2)CC[C@H]1F ZINC001206209036 1370993355 /nfs/dbraw/zinc/99/33/55/1370993355.db2.gz AGBASJIWODVRFH-MSOLQXFVSA-N 2 1 344.430 3.232 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(O)c(OCc3ccccc3)c2)CC[C@H]1F ZINC001206209036 1370993358 /nfs/dbraw/zinc/99/33/58/1370993358.db2.gz AGBASJIWODVRFH-MSOLQXFVSA-N 2 1 344.430 3.232 20 0 EGADMP COc1ccc(-c2ccncc2)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206211298 1370993866 /nfs/dbraw/zinc/99/38/66/1370993866.db2.gz NBURDAGLGQNPTR-RBUKOAKNSA-N 2 1 329.419 3.018 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CCC(C[NH2+]CCCC3CCC3)CC2)C1 ZINC001206288725 1371012822 /nfs/dbraw/zinc/01/28/22/1371012822.db2.gz XWSKIOQVEJNGIQ-UHFFFAOYSA-N 2 1 349.563 3.127 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(Br)nc2Cl)CC1 ZINC001206305457 1371016529 /nfs/dbraw/zinc/01/65/29/1371016529.db2.gz ZTJORGGYIDBKHL-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Br)nc2Cl)CC1 ZINC001206305457 1371016535 /nfs/dbraw/zinc/01/65/35/1371016535.db2.gz ZTJORGGYIDBKHL-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(Br)c1 ZINC001206311301 1371017678 /nfs/dbraw/zinc/01/76/78/1371017678.db2.gz MIRVWJNFLMJUKZ-INIZCTEOSA-N 2 1 341.293 3.409 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(Br)ccc(O)c2F)CC1 ZINC001206326867 1371024039 /nfs/dbraw/zinc/02/40/39/1371024039.db2.gz PXKHVHIOFFVTQC-OAHLLOKOSA-N 2 1 345.256 3.245 20 0 EGADMP Cc1ncc(Br)cc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206337943 1371026587 /nfs/dbraw/zinc/02/65/87/1371026587.db2.gz XCGFQROUDRISIZ-HNNXBMFYSA-N 2 1 326.282 3.103 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(Br)nc2)C1 ZINC001117632810 1371057192 /nfs/dbraw/zinc/05/71/92/1371057192.db2.gz IJMXPNFBTYWNFL-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(Br)nc2)C1 ZINC001117632810 1371057197 /nfs/dbraw/zinc/05/71/97/1371057197.db2.gz IJMXPNFBTYWNFL-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]1C ZINC001117714879 1371067913 /nfs/dbraw/zinc/06/79/13/1371067913.db2.gz PGDFKDASJQOBSL-MISYRCLQSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC001117714879 1371067915 /nfs/dbraw/zinc/06/79/15/1371067915.db2.gz PGDFKDASJQOBSL-MISYRCLQSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC001117714879 1371067921 /nfs/dbraw/zinc/06/79/21/1371067921.db2.gz PGDFKDASJQOBSL-MISYRCLQSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)C1 ZINC001206564857 1371095787 /nfs/dbraw/zinc/09/57/87/1371095787.db2.gz QPHBIDBDGPUDMU-GOSISDBHSA-N 2 1 334.414 3.306 20 0 EGADMP COc1nc(OC)c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1Cl ZINC001206606615 1371107875 /nfs/dbraw/zinc/10/78/75/1371107875.db2.gz RMJIYSSKMKREMO-AWEZNQCLSA-N 2 1 341.883 3.105 20 0 EGADMP COc1nc(OC)c(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1Cl ZINC001206606615 1371107877 /nfs/dbraw/zinc/10/78/77/1371107877.db2.gz RMJIYSSKMKREMO-AWEZNQCLSA-N 2 1 341.883 3.105 20 0 EGADMP COc1ccc(-c2ncc(C[N@H+]3CCCC[C@H](C[NH3+])C3)s2)cc1 ZINC001206622525 1371111830 /nfs/dbraw/zinc/11/18/30/1371111830.db2.gz DVGDBQNCHCFEBL-CQSZACIVSA-N 2 1 331.485 3.380 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206649846 1371119982 /nfs/dbraw/zinc/11/99/82/1371119982.db2.gz ZXOKIBCWJNFYTA-INIZCTEOSA-N 2 1 325.456 3.318 20 0 EGADMP c1ccc(-c2noc(CCC[N@H+]3CCCC4(CC[NH2+]CC4)C3)n2)cc1 ZINC001118198428 1371145250 /nfs/dbraw/zinc/14/52/50/1371145250.db2.gz MYJQGXXIMWIVEC-UHFFFAOYSA-N 2 1 340.471 3.135 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001206779539 1371163273 /nfs/dbraw/zinc/16/32/73/1371163273.db2.gz IXUHFJZPJUDZEV-MRXNPFEDSA-N 2 1 349.494 3.057 20 0 EGADMP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(Br)ccc1N(C)C ZINC001206809610 1371176040 /nfs/dbraw/zinc/17/60/40/1371176040.db2.gz LZIQDWNENFSDMG-QWHCGFSZSA-N 2 1 340.309 3.074 20 0 EGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(Br)ccc1N(C)C ZINC001206809610 1371176042 /nfs/dbraw/zinc/17/60/42/1371176042.db2.gz LZIQDWNENFSDMG-QWHCGFSZSA-N 2 1 340.309 3.074 20 0 EGADMP COc1ccc(-c2cc(C[N@@H+](C)CC3CC[NH+](C)CC3)no2)cc1 ZINC001206827319 1371181486 /nfs/dbraw/zinc/18/14/86/1371181486.db2.gz KAAJLLFHNQGTNQ-UHFFFAOYSA-N 2 1 329.444 3.124 20 0 EGADMP O=c1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001207072540 1371285407 /nfs/dbraw/zinc/28/54/07/1371285407.db2.gz JFERWLGTHPJKOQ-OALUTQOASA-N 2 1 337.467 3.131 20 0 EGADMP O=c1cccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001207072540 1371285413 /nfs/dbraw/zinc/28/54/13/1371285413.db2.gz JFERWLGTHPJKOQ-OALUTQOASA-N 2 1 337.467 3.131 20 0 EGADMP O=c1cccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001207072540 1371285414 /nfs/dbraw/zinc/28/54/14/1371285414.db2.gz JFERWLGTHPJKOQ-OALUTQOASA-N 2 1 337.467 3.131 20 0 EGADMP Cc1noc(C)c1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001207136461 1371306206 /nfs/dbraw/zinc/30/62/06/1371306206.db2.gz ADXQXMDDKDENNO-UHFFFAOYSA-N 2 1 329.444 3.373 20 0 EGADMP CCn1ccnc1C[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001207141700 1371307901 /nfs/dbraw/zinc/30/79/01/1371307901.db2.gz OWSFCBGOHQCYMI-SFHVURJKSA-N 2 1 342.487 3.373 20 0 EGADMP c1ccc(COCC[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001207235706 1371337926 /nfs/dbraw/zinc/33/79/26/1371337926.db2.gz NEFPIEHVPGPPIX-FGZHOGPDSA-N 2 1 336.479 3.267 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001207281586 1371348595 /nfs/dbraw/zinc/34/85/95/1371348595.db2.gz FJGAQSFFTCKSMG-LJQANCHMSA-N 2 1 349.544 3.155 20 0 EGADMP C[N@@H+](Cc1nnc2ccccn21)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207286281 1371349594 /nfs/dbraw/zinc/34/95/94/1371349594.db2.gz FPEINNUTDKHQPX-UHFFFAOYSA-N 2 1 349.482 3.073 20 0 EGADMP C[N@H+](Cc1nnc2ccccn21)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207286281 1371349608 /nfs/dbraw/zinc/34/96/08/1371349608.db2.gz FPEINNUTDKHQPX-UHFFFAOYSA-N 2 1 349.482 3.073 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207282812 1371349739 /nfs/dbraw/zinc/34/97/39/1371349739.db2.gz PSGVBUJUBUAIOY-UHFFFAOYSA-N 3 1 331.548 3.418 20 0 EGADMP CN(C)CC(C)(C)C[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207282812 1371349745 /nfs/dbraw/zinc/34/97/45/1371349745.db2.gz PSGVBUJUBUAIOY-UHFFFAOYSA-N 2 1 331.548 3.418 20 0 EGADMP CN(C)CC(C)(C)C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207282812 1371349748 /nfs/dbraw/zinc/34/97/48/1371349748.db2.gz PSGVBUJUBUAIOY-UHFFFAOYSA-N 2 1 331.548 3.418 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH+]1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC001207283607 1371350551 /nfs/dbraw/zinc/35/05/51/1371350551.db2.gz ARLZRMLIBLNTFU-UHFFFAOYSA-N 2 1 344.503 3.086 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@H]4CCCO[C@@H]4C3)CC2)cc1 ZINC001207288952 1371351254 /nfs/dbraw/zinc/35/12/54/1371351254.db2.gz FJMKUIXTTXHLQX-NHCUHLMSSA-N 2 1 328.500 3.400 20 0 EGADMP O[C@]1(CF)CCCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207286347 1371351262 /nfs/dbraw/zinc/35/12/62/1371351262.db2.gz GPPZDMQEGINUHV-FQEVSTJZSA-N 2 1 334.479 3.085 20 0 EGADMP C[C@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC[C@]1(C)O ZINC001207288049 1371351623 /nfs/dbraw/zinc/35/16/23/1371351623.db2.gz ZLLHNCYFYYKALW-RXVVDRJESA-N 2 1 330.516 3.382 20 0 EGADMP c1nc2c(s1)C[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001207291907 1371353062 /nfs/dbraw/zinc/35/30/62/1371353062.db2.gz GDEXQCAIHAGBLL-UHFFFAOYSA-N 2 1 327.497 3.413 20 0 EGADMP COC(=O)C[C@@H](C)[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC001207487946 1371411494 /nfs/dbraw/zinc/41/14/94/1371411494.db2.gz ZLCLXNRDSRRRFO-QGZVFWFLSA-N 2 1 332.488 3.172 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](C)CC2)[C@H](C)CN1Cc1ccccc1 ZINC001207487987 1371411548 /nfs/dbraw/zinc/41/15/48/1371411548.db2.gz AREPZQFKBFWSPK-RTBURBONSA-N 2 1 329.532 3.313 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1CCC1CC[NH+](C)CC1 ZINC001207487987 1371411551 /nfs/dbraw/zinc/41/15/51/1371411551.db2.gz AREPZQFKBFWSPK-RTBURBONSA-N 2 1 329.532 3.313 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CCC1CC[NH+](C)CC1 ZINC001207487987 1371411556 /nfs/dbraw/zinc/41/15/56/1371411556.db2.gz AREPZQFKBFWSPK-RTBURBONSA-N 2 1 329.532 3.313 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207541175 1371430065 /nfs/dbraw/zinc/43/00/65/1371430065.db2.gz XGBZRHSVNWFNKT-RLLQIKCJSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001207541175 1371430066 /nfs/dbraw/zinc/43/00/66/1371430066.db2.gz XGBZRHSVNWFNKT-RLLQIKCJSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001207541175 1371430069 /nfs/dbraw/zinc/43/00/69/1371430069.db2.gz XGBZRHSVNWFNKT-RLLQIKCJSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540709 1371430831 /nfs/dbraw/zinc/43/08/31/1371430831.db2.gz ARDCXADNWRGTKJ-QRQLOZEOSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001207540709 1371430834 /nfs/dbraw/zinc/43/08/34/1371430834.db2.gz ARDCXADNWRGTKJ-QRQLOZEOSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001207540709 1371430837 /nfs/dbraw/zinc/43/08/37/1371430837.db2.gz ARDCXADNWRGTKJ-QRQLOZEOSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567876 1371438489 /nfs/dbraw/zinc/43/84/89/1371438489.db2.gz DSXQLLTUGZYJAQ-VQIMIIECSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207567876 1371438494 /nfs/dbraw/zinc/43/84/94/1371438494.db2.gz DSXQLLTUGZYJAQ-VQIMIIECSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207567876 1371438497 /nfs/dbraw/zinc/43/84/97/1371438497.db2.gz DSXQLLTUGZYJAQ-VQIMIIECSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)C[C@H]2C1 ZINC001119988981 1371443810 /nfs/dbraw/zinc/44/38/10/1371443810.db2.gz MOWFPISXZTUUCL-ARFHVFGLSA-N 2 1 330.501 3.096 20 0 EGADMP c1cc(C[N@@H+]2CCOC3(CC[NH+](C[C@H]4C[C@H]5C=C[C@@H]4C5)CC3)C2)co1 ZINC001207620561 1371454347 /nfs/dbraw/zinc/45/43/47/1371454347.db2.gz QZQLLKIAZISTFD-DFQSSKMNSA-N 2 1 342.483 3.159 20 0 EGADMP c1cc(C[N@H+]2CCOC3(CC[NH+](C[C@H]4C[C@H]5C=C[C@@H]4C5)CC3)C2)co1 ZINC001207620561 1371454350 /nfs/dbraw/zinc/45/43/50/1371454350.db2.gz QZQLLKIAZISTFD-DFQSSKMNSA-N 2 1 342.483 3.159 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)nc3)C[C@@H]2C1 ZINC001120071141 1371477795 /nfs/dbraw/zinc/47/77/95/1371477795.db2.gz FZZJULHFFHWUSE-HSALFYBXSA-N 2 1 336.483 3.306 20 0 EGADMP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120129438 1371491305 /nfs/dbraw/zinc/49/13/05/1371491305.db2.gz HSEGPZZXGDKUPO-OOFWQKGWSA-N 2 1 335.536 3.093 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]CCCC3CCCC3)CCCCC2)C1 ZINC001120129701 1371492272 /nfs/dbraw/zinc/49/22/72/1371492272.db2.gz MDFHDFVVFWPOPR-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001120141413 1371494193 /nfs/dbraw/zinc/49/41/93/1371494193.db2.gz XJVZDXDAAOYFJW-UHFFFAOYSA-N 2 1 346.519 3.181 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCCC1 ZINC001120207769 1371503969 /nfs/dbraw/zinc/50/39/69/1371503969.db2.gz FCSPYTDSDMODTG-SFHVURJKSA-N 2 1 339.568 3.418 20 0 EGADMP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCCCC1 ZINC001120208423 1371505480 /nfs/dbraw/zinc/50/54/80/1371505480.db2.gz ZEJQBLOQZQMNEH-SFHVURJKSA-N 2 1 337.552 3.460 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120401030 1371562511 /nfs/dbraw/zinc/56/25/11/1371562511.db2.gz GEGHVNYPRQTTFB-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001120401030 1371562513 /nfs/dbraw/zinc/56/25/13/1371562513.db2.gz GEGHVNYPRQTTFB-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001120401030 1371562515 /nfs/dbraw/zinc/56/25/15/1371562515.db2.gz GEGHVNYPRQTTFB-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120439651 1371577225 /nfs/dbraw/zinc/57/72/25/1371577225.db2.gz HTFIDKVQGPWXML-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120439651 1371577228 /nfs/dbraw/zinc/57/72/28/1371577228.db2.gz HTFIDKVQGPWXML-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001120439651 1371577234 /nfs/dbraw/zinc/57/72/34/1371577234.db2.gz HTFIDKVQGPWXML-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439606 1371577507 /nfs/dbraw/zinc/57/75/07/1371577507.db2.gz HJIKTNARLJROIN-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120449443 1371580857 /nfs/dbraw/zinc/58/08/57/1371580857.db2.gz MGNUBZIPHHQIPE-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001120449443 1371580859 /nfs/dbraw/zinc/58/08/59/1371580859.db2.gz MGNUBZIPHHQIPE-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001120449443 1371580861 /nfs/dbraw/zinc/58/08/61/1371580861.db2.gz MGNUBZIPHHQIPE-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC2CCC2)C1 ZINC001120450552 1371581810 /nfs/dbraw/zinc/58/18/10/1371581810.db2.gz WMURKAHAKGEHOD-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208073417 1371588437 /nfs/dbraw/zinc/58/84/37/1371588437.db2.gz BGQFRDXQRWYTBU-NKKNLYITSA-N 2 1 347.547 3.044 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@@H]([NH2+]CCC(C)C)C1 ZINC001208073952 1371588627 /nfs/dbraw/zinc/58/86/27/1371588627.db2.gz QOYHPYXJOULWSU-IAGOWNOFSA-N 2 1 334.508 3.023 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208163210 1371614543 /nfs/dbraw/zinc/61/45/43/1371614543.db2.gz FNCKTTWCHYYYKZ-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208163996 1371614857 /nfs/dbraw/zinc/61/48/57/1371614857.db2.gz NBIYOPHJHYDBFL-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP COc1ccc(CC[N@@H+](C)CC2(C[NH+](C)C)CCCC2)cc1OC ZINC001208182371 1371623690 /nfs/dbraw/zinc/62/36/90/1371623690.db2.gz NNLJGNDEWZSYSK-UHFFFAOYSA-N 2 1 334.504 3.300 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447954 1371769753 /nfs/dbraw/zinc/76/97/53/1371769753.db2.gz UMXWRJIXEOFDEM-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1C)[NH+](CC)CC ZINC001208574574 1371823847 /nfs/dbraw/zinc/82/38/47/1371823847.db2.gz AHGOUXZZCOUJHW-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C)[NH+](CC)CC ZINC001208576029 1371824436 /nfs/dbraw/zinc/82/44/36/1371824436.db2.gz ZTIZDFKMWLJYOJ-KZNAEPCWSA-N 2 1 339.568 3.370 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN2CC[NH+]3CCCC[C@@H]3C2)cc1 ZINC001208589605 1371829375 /nfs/dbraw/zinc/82/93/75/1371829375.db2.gz WSICFPKZLPFHRQ-RTWAWAEBSA-N 2 1 327.516 3.211 20 0 EGADMP c1ccc(C[NH+]2CCCC[C@H]2CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC001208589605 1371829378 /nfs/dbraw/zinc/82/93/78/1371829378.db2.gz WSICFPKZLPFHRQ-RTWAWAEBSA-N 2 1 327.516 3.211 20 0 EGADMP c1ccc(C[NH+]2CCCC[C@H]2CN2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC001208589605 1371829381 /nfs/dbraw/zinc/82/93/81/1371829381.db2.gz WSICFPKZLPFHRQ-RTWAWAEBSA-N 2 1 327.516 3.211 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001208602996 1371837218 /nfs/dbraw/zinc/83/72/18/1371837218.db2.gz QQAIMJXGDGCVTB-FQEVSTJZSA-N 2 1 344.499 3.174 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001208602997 1371837389 /nfs/dbraw/zinc/83/73/89/1371837389.db2.gz QQAIMJXGDGCVTB-HXUWFJFHSA-N 2 1 344.499 3.174 20 0 EGADMP C[N@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC001208613207 1371840341 /nfs/dbraw/zinc/84/03/41/1371840341.db2.gz RNVYIBDJBOMUSO-HXUWFJFHSA-N 2 1 343.559 3.444 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH+](CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC001208618540 1371843627 /nfs/dbraw/zinc/84/36/27/1371843627.db2.gz YHCCAQMCJOQHJW-AWEZNQCLSA-N 2 1 331.287 3.130 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+](CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC001208618540 1371843632 /nfs/dbraw/zinc/84/36/32/1371843632.db2.gz YHCCAQMCJOQHJW-AWEZNQCLSA-N 2 1 331.287 3.130 20 0 EGADMP C[NH+]1CCC[C@H](C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC001208618540 1371843634 /nfs/dbraw/zinc/84/36/34/1371843634.db2.gz YHCCAQMCJOQHJW-AWEZNQCLSA-N 2 1 331.287 3.130 20 0 EGADMP C[NH+]1CCC[C@H](C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC001208618540 1371843638 /nfs/dbraw/zinc/84/36/38/1371843638.db2.gz YHCCAQMCJOQHJW-AWEZNQCLSA-N 2 1 331.287 3.130 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CCC=CO3)C[C@H]21 ZINC001208879288 1371930239 /nfs/dbraw/zinc/93/02/39/1371930239.db2.gz BJFZPWZXNIQIKK-CWJKEVGVSA-N 2 1 341.499 3.307 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CCC=CO3)C[C@H]21 ZINC001208879288 1371930242 /nfs/dbraw/zinc/93/02/42/1371930242.db2.gz BJFZPWZXNIQIKK-CWJKEVGVSA-N 2 1 341.499 3.307 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCC=CO3)C[C@H]21 ZINC001208879288 1371930244 /nfs/dbraw/zinc/93/02/44/1371930244.db2.gz BJFZPWZXNIQIKK-CWJKEVGVSA-N 2 1 341.499 3.307 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCC=CO3)C[C@H]21 ZINC001208879288 1371930247 /nfs/dbraw/zinc/93/02/47/1371930247.db2.gz BJFZPWZXNIQIKK-CWJKEVGVSA-N 2 1 341.499 3.307 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC4(CCOC4)CC3)C2)cc1 ZINC001208931222 1371951167 /nfs/dbraw/zinc/95/11/67/1371951167.db2.gz IJFMYTMBRZLTCU-FQEVSTJZSA-N 2 1 328.500 3.401 20 0 EGADMP COC(=O)CC[C@H]1CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208940691 1371953052 /nfs/dbraw/zinc/95/30/52/1371953052.db2.gz VMTJFFXVTZABOW-PMACEKPBSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)CC[C@H]1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940691 1371953060 /nfs/dbraw/zinc/95/30/60/1371953060.db2.gz VMTJFFXVTZABOW-PMACEKPBSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)CC[C@H]1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940691 1371953069 /nfs/dbraw/zinc/95/30/69/1371953069.db2.gz VMTJFFXVTZABOW-PMACEKPBSA-N 2 1 344.499 3.174 20 0 EGADMP CC[N@@H+](C)C1CCN(C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208944301 1371956977 /nfs/dbraw/zinc/95/69/77/1371956977.db2.gz PFGDTXXCROYJFP-FQEVSTJZSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+](C)C1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208944301 1371956991 /nfs/dbraw/zinc/95/69/91/1371956991.db2.gz PFGDTXXCROYJFP-FQEVSTJZSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+](C)C1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208944301 1371956996 /nfs/dbraw/zinc/95/69/96/1371956996.db2.gz PFGDTXXCROYJFP-FQEVSTJZSA-N 2 1 329.532 3.315 20 0 EGADMP CO[C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208953296 1371960244 /nfs/dbraw/zinc/96/02/44/1371960244.db2.gz ZWPQPBQULSJTKC-JSXRDJHFSA-N 2 1 328.500 3.255 20 0 EGADMP CO[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208953296 1371960249 /nfs/dbraw/zinc/96/02/49/1371960249.db2.gz ZWPQPBQULSJTKC-JSXRDJHFSA-N 2 1 328.500 3.255 20 0 EGADMP CO[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208953296 1371960252 /nfs/dbraw/zinc/96/02/52/1371960252.db2.gz ZWPQPBQULSJTKC-JSXRDJHFSA-N 2 1 328.500 3.255 20 0 EGADMP Cc1nnc([C@@H]2CCC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC001208955809 1371961587 /nfs/dbraw/zinc/96/15/87/1371961587.db2.gz FRIUCPDKLDMDHW-RTBURBONSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nnc([C@@H]2CCC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC001208955809 1371961589 /nfs/dbraw/zinc/96/15/89/1371961589.db2.gz FRIUCPDKLDMDHW-RTBURBONSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nnc([C@@H]2CCC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC001208955809 1371961591 /nfs/dbraw/zinc/96/15/91/1371961591.db2.gz FRIUCPDKLDMDHW-RTBURBONSA-N 2 1 340.471 3.080 20 0 EGADMP Cn1ccc(C2CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208960062 1371961766 /nfs/dbraw/zinc/96/17/66/1371961766.db2.gz TYIGAQGVXSAWGJ-IBGZPJMESA-N 2 1 338.499 3.122 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209159253 1372018699 /nfs/dbraw/zinc/01/86/99/1372018699.db2.gz ZFAXWYGIAVNWRF-IKSUFZCESA-N 2 1 346.519 3.189 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209159253 1372018704 /nfs/dbraw/zinc/01/87/04/1372018704.db2.gz ZFAXWYGIAVNWRF-IKSUFZCESA-N 2 1 346.519 3.189 20 0 EGADMP C[N@H+](CC[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209165226 1372020609 /nfs/dbraw/zinc/02/06/09/1372020609.db2.gz QGPWDLIOSSWQDP-KRWDZBQOSA-N 2 1 339.524 3.192 20 0 EGADMP C[N@@H+](CC[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209165226 1372020612 /nfs/dbraw/zinc/02/06/12/1372020612.db2.gz QGPWDLIOSSWQDP-KRWDZBQOSA-N 2 1 339.524 3.192 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](CCCc4ccncc4)C[C@@H]3C2)cc1 ZINC001209189266 1372032813 /nfs/dbraw/zinc/03/28/13/1372032813.db2.gz IOTBEWQOIFEFTR-FCHUYYIVSA-N 2 1 335.495 3.468 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCCc4ccncc4)C[C@@H]3C2)cc1 ZINC001209189266 1372032814 /nfs/dbraw/zinc/03/28/14/1372032814.db2.gz IOTBEWQOIFEFTR-FCHUYYIVSA-N 2 1 335.495 3.468 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001209204728 1372038096 /nfs/dbraw/zinc/03/80/96/1372038096.db2.gz KRJCBIORQMNZKN-ZYHOBAKYSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209223919 1372042194 /nfs/dbraw/zinc/04/21/94/1372042194.db2.gz XDTYLNVUJKZHNU-AZUAARDMSA-N 2 1 347.547 3.330 20 0 EGADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](C[C@@H]4C[C@H]4C)CC3)C2)c1 ZINC001209415459 1372099327 /nfs/dbraw/zinc/09/93/27/1372099327.db2.gz ORCNRYLIVQJFHH-MJGOQNOKSA-N 2 1 344.499 3.018 20 0 EGADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](C[C@@H]4C[C@H]4C)CC3)C2)c1 ZINC001209415459 1372099330 /nfs/dbraw/zinc/09/93/30/1372099330.db2.gz ORCNRYLIVQJFHH-MJGOQNOKSA-N 2 1 344.499 3.018 20 0 EGADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](C[C@@H]1C[C@H]1C)CC2 ZINC001209417314 1372100479 /nfs/dbraw/zinc/10/04/79/1372100479.db2.gz VVMBCWSRHJDVPG-IKGGRYGDSA-N 2 1 349.544 3.102 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3NC2CC[NH+](C3CC3)CC2)cc1 ZINC001326405751 1388179419 /nfs/dbraw/zinc/17/94/19/1388179419.db2.gz GRIVCRIAJSMUER-QIDMFYOTSA-N 2 1 339.527 3.113 20 0 EGADMP CCCC[NH2+]C1CC2(CC(NC(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001121867709 1372108541 /nfs/dbraw/zinc/10/85/41/1372108541.db2.gz QARNEVCKQKMDER-UHFFFAOYSA-N 2 1 346.519 3.214 20 0 EGADMP CCOC[C@@H]1COCCC12CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209451410 1372109255 /nfs/dbraw/zinc/10/92/55/1372109255.db2.gz WISCTRLOLLROLZ-LJQANCHMSA-N 2 1 338.536 3.018 20 0 EGADMP O=C1N(c2ccsc2)CC[C@]12CC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC001209451538 1372109603 /nfs/dbraw/zinc/10/96/03/1372109603.db2.gz IGVSVTJPVCURCS-IBGZPJMESA-N 2 1 347.528 3.053 20 0 EGADMP Cc1ccc2[nH]cc(C[N@@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001209491236 1372118923 /nfs/dbraw/zinc/11/89/23/1372118923.db2.gz BNYRVCLNOOLNTC-BGYRXZFFSA-N 2 1 346.478 3.435 20 0 EGADMP Cc1n[nH]cc1C[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001209554819 1372136180 /nfs/dbraw/zinc/13/61/80/1372136180.db2.gz XVGYOZZKKUCHOK-GOSISDBHSA-N 2 1 328.460 3.188 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001209659910 1372163634 /nfs/dbraw/zinc/16/36/34/1372163634.db2.gz KBZVVTPJCPMSSN-IPLHWJFFSA-N 2 1 335.536 3.045 20 0 EGADMP Cc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001209691065 1372171512 /nfs/dbraw/zinc/17/15/12/1372171512.db2.gz VAXTVLUQUKSVEQ-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cn(C)c3ncccc23)CC1 ZINC001209745625 1372182673 /nfs/dbraw/zinc/18/26/73/1372182673.db2.gz UUFCJEQRAPPJMT-UHFFFAOYSA-N 2 1 335.455 3.016 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001210133974 1372278317 /nfs/dbraw/zinc/27/83/17/1372278317.db2.gz VIOZZYKXTNWXPP-GOSISDBHSA-N 2 1 348.535 3.379 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210179482 1372289077 /nfs/dbraw/zinc/28/90/77/1372289077.db2.gz OSSQISRUZJOOQG-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001210183748 1372290808 /nfs/dbraw/zinc/29/08/08/1372290808.db2.gz ROUDMNYDWIMEPN-MONCILHSSA-N 2 1 337.552 3.435 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC001326445504 1388190630 /nfs/dbraw/zinc/19/06/30/1388190630.db2.gz WZQMUUXPKNFUKT-YCPHGPKFSA-N 2 1 336.549 3.247 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)c2cccc(F)c2)C[C@H]1C ZINC001210499286 1372367214 /nfs/dbraw/zinc/36/72/14/1372367214.db2.gz VMRSVPKUKLGUEH-GPMSIDNRSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cccc(F)c2)C[C@H]1C ZINC001210499286 1372367218 /nfs/dbraw/zinc/36/72/18/1372367218.db2.gz VMRSVPKUKLGUEH-GPMSIDNRSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cccc(F)c2)C[C@H]1C ZINC001210499286 1372367221 /nfs/dbraw/zinc/36/72/21/1372367221.db2.gz VMRSVPKUKLGUEH-GPMSIDNRSA-N 2 1 349.494 3.055 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC=C(C)C)C1)c1ccccc1 ZINC001210644357 1372398708 /nfs/dbraw/zinc/39/87/08/1372398708.db2.gz OJDQMUNVUQOKAL-VQTJNVASSA-N 2 1 343.515 3.226 20 0 EGADMP CCCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)cc1 ZINC001210811434 1372431442 /nfs/dbraw/zinc/43/14/42/1372431442.db2.gz NXKCRMPOJIFNDG-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001211282444 1372519999 /nfs/dbraw/zinc/51/99/99/1372519999.db2.gz ALNTWMYZAPFRBN-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001326507770 1388223595 /nfs/dbraw/zinc/22/35/95/1388223595.db2.gz JTQAPWIYMUHVEM-MKXGPGLRSA-N 2 1 337.552 3.027 20 0 EGADMP CCCCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001214662227 1373098441 /nfs/dbraw/zinc/09/84/41/1373098441.db2.gz ZWLCDLBVHCAKGX-BRWVUGGUSA-N 2 1 334.508 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001214661873 1373098500 /nfs/dbraw/zinc/09/85/00/1373098500.db2.gz IJTABXKMTKKNHG-IXDOHACOSA-N 2 1 348.535 3.269 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001214780427 1373117953 /nfs/dbraw/zinc/11/79/53/1373117953.db2.gz ZQMTUGQJFGSVIB-WUYYXPQKSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214856027 1373131157 /nfs/dbraw/zinc/13/11/57/1373131157.db2.gz VEZYIIDKJXZNNP-QRTFGMIHSA-N 2 1 335.536 3.042 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+][C@H](C)c1ccccc1F ZINC001127680147 1373158968 /nfs/dbraw/zinc/15/89/68/1373158968.db2.gz SMZUUGCFGYRSOP-LSDHHAIUSA-N 2 1 346.450 3.003 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001188150730 1388251205 /nfs/dbraw/zinc/25/12/05/1388251205.db2.gz HIPHKNCOTFPFJU-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001129423984 1373382465 /nfs/dbraw/zinc/38/24/65/1373382465.db2.gz ZKNFTMJULXPLSR-GOSISDBHSA-N 2 1 337.552 3.172 20 0 EGADMP C[C@@H]1CC[C@H](OC[C@]2(C)C[N@@H+](Cc3ccccc3)CC(C)(C)O2)C[NH2+]1 ZINC001217910243 1373511289 /nfs/dbraw/zinc/51/12/89/1373511289.db2.gz IDNDKJTUPSQJLZ-LMNJBCLMSA-N 2 1 346.515 3.213 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(C(=O)C[NH3+])cc1 ZINC001217968444 1373521778 /nfs/dbraw/zinc/52/17/78/1373521778.db2.gz YGYZUAKVJYNWPQ-KKSFZXQISA-N 2 1 338.451 3.117 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(C(=O)C[NH3+])cc1 ZINC001217968444 1373521780 /nfs/dbraw/zinc/52/17/80/1373521780.db2.gz YGYZUAKVJYNWPQ-KKSFZXQISA-N 2 1 338.451 3.117 20 0 EGADMP CC1CCC(C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001130622721 1373571827 /nfs/dbraw/zinc/57/18/27/1373571827.db2.gz WYQMOBKFMKSOBP-UHFFFAOYSA-N 2 1 337.552 3.172 20 0 EGADMP C[C@@H]1CC[C@@H](Oc2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[NH2+]1 ZINC001218395117 1373606915 /nfs/dbraw/zinc/60/69/15/1373606915.db2.gz UCRKNQWGUBWMGQ-VQIMIIECSA-N 2 1 337.467 3.159 20 0 EGADMP C[C@@H]1CC[C@@H](Oc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[NH2+]1 ZINC001218395117 1373606918 /nfs/dbraw/zinc/60/69/18/1373606918.db2.gz UCRKNQWGUBWMGQ-VQIMIIECSA-N 2 1 337.467 3.159 20 0 EGADMP C[C@@H]1CC[C@H](Oc2ccc3c(n2)C[N@@H+](Cc2ccccc2)CC3)C[NH2+]1 ZINC001218407288 1373609660 /nfs/dbraw/zinc/60/96/60/1373609660.db2.gz OYGXJNPHZYHJCC-APWZRJJASA-N 2 1 337.467 3.159 20 0 EGADMP C[C@@H]1CC[C@H](Oc2ccc3c(n2)C[N@H+](Cc2ccccc2)CC3)C[NH2+]1 ZINC001218407288 1373609665 /nfs/dbraw/zinc/60/96/65/1373609665.db2.gz OYGXJNPHZYHJCC-APWZRJJASA-N 2 1 337.467 3.159 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848335 1373798443 /nfs/dbraw/zinc/79/84/43/1373798443.db2.gz KSRLHSFBJHHWKG-VAMGGRTRSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccccc1F ZINC001131822472 1373823932 /nfs/dbraw/zinc/82/39/32/1373823932.db2.gz OLBPVSBVIJWNRI-INIZCTEOSA-N 2 1 349.494 3.247 20 0 EGADMP Fc1ccc(-c2cccc(C[N@@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)c2)cc1 ZINC001222497760 1373849949 /nfs/dbraw/zinc/84/99/49/1373849949.db2.gz ZIEFOCHRLKFGPA-SFTDATJTSA-N 2 1 339.458 3.019 20 0 EGADMP Fc1ccc(-c2cccc(C[N@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)c2)cc1 ZINC001222497760 1373849952 /nfs/dbraw/zinc/84/99/52/1373849952.db2.gz ZIEFOCHRLKFGPA-SFTDATJTSA-N 2 1 339.458 3.019 20 0 EGADMP O=C(NCC1([NH2+]CC2CCC2)CCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001326823099 1388321269 /nfs/dbraw/zinc/32/12/69/1388321269.db2.gz RFOUEPKTOHYPDC-GOSISDBHSA-N 2 1 347.547 3.070 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCC1 ZINC001326844633 1388328380 /nfs/dbraw/zinc/32/83/80/1388328380.db2.gz FIOXSZOGLWBYOH-LJQANCHMSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1CC[NH+](CCCC2CCCC2)CC1 ZINC001225228226 1375098530 /nfs/dbraw/zinc/09/85/30/1375098530.db2.gz HWFPYDVGPLFHSM-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CC1CCCCC1 ZINC001132105466 1375149840 /nfs/dbraw/zinc/14/98/40/1375149840.db2.gz HLEOUUIHPHNLRO-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCCC1CCCC1 ZINC001132107541 1375151590 /nfs/dbraw/zinc/15/15/90/1375151590.db2.gz ZZXORDRBPMFWTM-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cccc(F)c2)C1 ZINC001132152606 1375172584 /nfs/dbraw/zinc/17/25/84/1375172584.db2.gz FWZHONPGHZFYHV-QAPCUYQASA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cccc(F)c2)C1 ZINC001132152606 1375172587 /nfs/dbraw/zinc/17/25/87/1375172587.db2.gz FWZHONPGHZFYHV-QAPCUYQASA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(F)c2)C1 ZINC001132152606 1375172589 /nfs/dbraw/zinc/17/25/89/1375172589.db2.gz FWZHONPGHZFYHV-QAPCUYQASA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(F)c2)C1 ZINC001132152606 1375172592 /nfs/dbraw/zinc/17/25/92/1375172592.db2.gz FWZHONPGHZFYHV-QAPCUYQASA-N 2 1 349.494 3.025 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132157564 1375175909 /nfs/dbraw/zinc/17/59/09/1375175909.db2.gz QUNDDMVMEHHXMU-NVXWUHKLSA-N 2 1 328.460 3.107 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132174410 1375188387 /nfs/dbraw/zinc/18/83/87/1375188387.db2.gz UXOKTEJJVYBYOG-FPZRGXOSSA-N 2 1 340.471 3.273 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@H+]1CC1CC1 ZINC001132206641 1375209188 /nfs/dbraw/zinc/20/91/88/1375209188.db2.gz MLKXXCWUUBUCLT-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[NH+]1CC1CC1 ZINC001132206641 1375209195 /nfs/dbraw/zinc/20/91/95/1375209195.db2.gz MLKXXCWUUBUCLT-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[NH+]1CC1CC1 ZINC001132206641 1375209198 /nfs/dbraw/zinc/20/91/98/1375209198.db2.gz MLKXXCWUUBUCLT-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cc(C)cc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)c1 ZINC001132249453 1375244074 /nfs/dbraw/zinc/24/40/74/1375244074.db2.gz PCBCSMZLYLCMND-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CCC1CCCCC1 ZINC001132269664 1375258059 /nfs/dbraw/zinc/25/80/59/1375258059.db2.gz NINXXBXUGVAOSE-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132336096 1375316941 /nfs/dbraw/zinc/31/69/41/1375316941.db2.gz ZPDSWSZIKXZMBN-MSOLQXFVSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132336096 1375316944 /nfs/dbraw/zinc/31/69/44/1375316944.db2.gz ZPDSWSZIKXZMBN-MSOLQXFVSA-N 2 1 348.535 3.412 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132340053 1375319346 /nfs/dbraw/zinc/31/93/46/1375319346.db2.gz MFPUJHMFWFZXIH-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CCCC)C1 ZINC001132364629 1375328011 /nfs/dbraw/zinc/32/80/11/1375328011.db2.gz CZYBLGZNUMYSSW-MSOLQXFVSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCC)C1 ZINC001132364629 1375328015 /nfs/dbraw/zinc/32/80/15/1375328015.db2.gz CZYBLGZNUMYSSW-MSOLQXFVSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC)C1 ZINC001132364629 1375328019 /nfs/dbraw/zinc/32/80/19/1375328019.db2.gz CZYBLGZNUMYSSW-MSOLQXFVSA-N 2 1 325.541 3.268 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001226765359 1375328840 /nfs/dbraw/zinc/32/88/40/1375328840.db2.gz BVHHZSOGVJRXEE-VAMGGRTRSA-N 2 1 347.547 3.377 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](C/C=C/c2ccccc2)C1 ZINC001132410940 1375360039 /nfs/dbraw/zinc/36/00/39/1375360039.db2.gz QAZBOSKRLHPFHV-CSXIPAGWSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](C/C=C/c2ccccc2)C1 ZINC001132410940 1375360050 /nfs/dbraw/zinc/36/00/50/1375360050.db2.gz QAZBOSKRLHPFHV-CSXIPAGWSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](C/C=C/c2ccccc2)C1 ZINC001132410940 1375360053 /nfs/dbraw/zinc/36/00/53/1375360053.db2.gz QAZBOSKRLHPFHV-CSXIPAGWSA-N 2 1 343.515 3.011 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CCCC1CCC1 ZINC001132434605 1375379386 /nfs/dbraw/zinc/37/93/86/1375379386.db2.gz ZFPFMBJBFCTJHI-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132440735 1375385445 /nfs/dbraw/zinc/38/54/45/1375385445.db2.gz FHMNFTMRWQXGTF-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001132440735 1375385450 /nfs/dbraw/zinc/38/54/50/1375385450.db2.gz FHMNFTMRWQXGTF-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001132440735 1375385451 /nfs/dbraw/zinc/38/54/51/1375385451.db2.gz FHMNFTMRWQXGTF-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1 ZINC001227150646 1375397328 /nfs/dbraw/zinc/39/73/28/1375397328.db2.gz XIRXOJDQQNDIKC-QXAKKESOSA-N 2 1 345.531 3.495 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[N@H+]1CC1CCC1 ZINC001132493174 1375423881 /nfs/dbraw/zinc/42/38/81/1375423881.db2.gz JXEVWXCCGBQKQP-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]2C)cc1C ZINC001132519328 1375437472 /nfs/dbraw/zinc/43/74/72/1375437472.db2.gz WUYFXSCYOWOZRT-AZUAARDMSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)cc1C ZINC001132519328 1375437476 /nfs/dbraw/zinc/43/74/76/1375437476.db2.gz WUYFXSCYOWOZRT-AZUAARDMSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)cc1C ZINC001132519328 1375437480 /nfs/dbraw/zinc/43/74/80/1375437480.db2.gz WUYFXSCYOWOZRT-AZUAARDMSA-N 2 1 345.531 3.113 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132524496 1375440902 /nfs/dbraw/zinc/44/09/02/1375440902.db2.gz HYFXZRPIEWBFSV-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548491 1375455671 /nfs/dbraw/zinc/45/56/71/1375455671.db2.gz DOSMGPIYCARJPA-RTBURBONSA-N 2 1 337.552 3.412 20 0 EGADMP C[N@H+]1CC[C@@H](Oc2ccc(C[NH+]3CCCCC3)c3cccnc23)C1 ZINC001228375020 1375559655 /nfs/dbraw/zinc/55/96/55/1375559655.db2.gz VBLPUZCVXLWFJF-QGZVFWFLSA-N 2 1 325.456 3.304 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790656 1375566066 /nfs/dbraw/zinc/56/60/66/1375566066.db2.gz IZXIRTSCXWIGMJ-HKUYNNGSSA-N 2 1 337.552 3.172 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccccc1 ZINC001132794675 1375568809 /nfs/dbraw/zinc/56/88/09/1375568809.db2.gz FFFAUUDIYFZASN-YLJYHZDGSA-N 2 1 343.515 3.251 20 0 EGADMP C[NH+](C)Cc1cc(O[C@@H]2CCC[N@H+](C)CC2)ccc1Br ZINC001228549614 1375594821 /nfs/dbraw/zinc/59/48/21/1375594821.db2.gz SMHBPBOHMPLQKR-CQSZACIVSA-N 2 1 341.293 3.374 20 0 EGADMP C[NH+](C)Cc1cc(O[C@@H]2CCC[N@@H+](C)CC2)ccc1Br ZINC001228549614 1375594830 /nfs/dbraw/zinc/59/48/30/1375594830.db2.gz SMHBPBOHMPLQKR-CQSZACIVSA-N 2 1 341.293 3.374 20 0 EGADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001132889156 1375628212 /nfs/dbraw/zinc/62/82/12/1375628212.db2.gz XKOMLSDRKQTSQX-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001132979151 1375692255 /nfs/dbraw/zinc/69/22/55/1375692255.db2.gz ZOLKAQSHNSJFKU-SJLPKXTDSA-N 2 1 348.535 3.092 20 0 EGADMP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133120800 1375786408 /nfs/dbraw/zinc/78/64/08/1375786408.db2.gz BGROQGJPXMLWIJ-MSOLQXFVSA-N 2 1 337.552 3.005 20 0 EGADMP CC/C=C\CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001229463160 1375840857 /nfs/dbraw/zinc/84/08/57/1375840857.db2.gz ZNMXMLNWGRGGLS-SFFCAUCYSA-N 2 1 335.536 3.186 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133224819 1375853203 /nfs/dbraw/zinc/85/32/03/1375853203.db2.gz FCRZORNOVBHIEC-AZUAARDMSA-N 2 1 349.563 3.293 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001133263252 1375879438 /nfs/dbraw/zinc/87/94/38/1375879438.db2.gz RLLOPEZDTQUICP-YZPMEYCISA-N 2 1 337.552 3.149 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001229853840 1375903962 /nfs/dbraw/zinc/90/39/62/1375903962.db2.gz XHSQUBYUUNMDED-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc(F)c1 ZINC001230274682 1375980725 /nfs/dbraw/zinc/98/07/25/1375980725.db2.gz FSSPDCZZNZYTCE-KFKAGJAMSA-N 2 1 349.494 3.244 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001230286767 1375984230 /nfs/dbraw/zinc/98/42/30/1375984230.db2.gz SREOUTSXCMBBIP-AQNXPRMDSA-N 2 1 345.531 3.352 20 0 EGADMP Nc1[nH]c2ccc(O[C@@H]3CC[N@@H+](Cc4ccccc4Cl)C3)cc2[nH+]1 ZINC001230518348 1376049937 /nfs/dbraw/zinc/04/99/37/1376049937.db2.gz PMEMTSUWYVWTDP-CQSZACIVSA-N 2 1 342.830 3.452 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001230617513 1376103855 /nfs/dbraw/zinc/10/38/55/1376103855.db2.gz BQWSBTNTGUBKRZ-ROUKRRSUSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230617513 1376103859 /nfs/dbraw/zinc/10/38/59/1376103859.db2.gz BQWSBTNTGUBKRZ-ROUKRRSUSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230617513 1376103862 /nfs/dbraw/zinc/10/38/62/1376103862.db2.gz BQWSBTNTGUBKRZ-ROUKRRSUSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)C[N@H+]2CCC[C@@H]2C)cc1 ZINC001133819759 1376217509 /nfs/dbraw/zinc/21/75/09/1376217509.db2.gz NOWBIVZRZLFJQE-DLBZAZTESA-N 2 1 331.504 3.061 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001133823698 1376219299 /nfs/dbraw/zinc/21/92/99/1376219299.db2.gz MJZWADLDNCVVJQ-QGZVFWFLSA-N 2 1 343.515 3.034 20 0 EGADMP C[C@](O)(C1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1)C(F)(F)F ZINC001232015377 1376384743 /nfs/dbraw/zinc/38/47/43/1376384743.db2.gz FVHUJNDZFGYUPC-HNNXBMFYSA-N 2 1 327.350 3.088 20 0 EGADMP Cc1ccc(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1C ZINC001232364021 1376450164 /nfs/dbraw/zinc/45/01/64/1376450164.db2.gz RDNUUFHURQKAKV-UHFFFAOYSA-N 2 1 338.499 3.082 20 0 EGADMP COc1cc(Br)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC001233215758 1376588722 /nfs/dbraw/zinc/58/87/22/1376588722.db2.gz VFTWNYIRHOSPKJ-UHFFFAOYSA-N 2 1 341.293 3.231 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001134773661 1376713608 /nfs/dbraw/zinc/71/36/08/1376713608.db2.gz QDUKRKCGLHXTJG-QZTJIDSGSA-N 2 1 347.547 3.141 20 0 EGADMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001234024692 1376756786 /nfs/dbraw/zinc/75/67/86/1376756786.db2.gz KIUJLSLCLPFVMT-INIZCTEOSA-N 2 1 335.407 3.297 20 0 EGADMP CCCCCCOc1ccccc1C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235035540 1376833398 /nfs/dbraw/zinc/83/33/98/1376833398.db2.gz FIUVAEMUICQCLT-TZIWHRDSSA-N 2 1 346.515 3.456 20 0 EGADMP Cc1ccc(-c2cccc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c2)cc1 ZINC001235040001 1376838781 /nfs/dbraw/zinc/83/87/81/1376838781.db2.gz KAAFIKQSBRSOGQ-FGZHOGPDSA-N 2 1 336.479 3.472 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001135027905 1376856802 /nfs/dbraw/zinc/85/68/02/1376856802.db2.gz ABGCYLWOWIQQRG-CVEARBPZSA-N 2 1 334.508 3.035 20 0 EGADMP Fc1cc(C(F)(F)F)cc(F)c1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235338228 1376868431 /nfs/dbraw/zinc/86/84/31/1376868431.db2.gz DVDYYZUNVQCZOO-UHFFFAOYSA-N 2 1 334.332 3.415 20 0 EGADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C[C@@H]2CCCC[NH2+]2)C3)c1 ZINC001235630247 1376880021 /nfs/dbraw/zinc/88/00/21/1376880021.db2.gz WWSIOPFALIQEEP-VQTJNVASSA-N 2 1 331.479 3.008 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159808 1388469626 /nfs/dbraw/zinc/46/96/26/1388469626.db2.gz LWXIJDIOZFAKBU-VXOKQSJXSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159808 1388469633 /nfs/dbraw/zinc/46/96/33/1388469633.db2.gz LWXIJDIOZFAKBU-VXOKQSJXSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159808 1388469636 /nfs/dbraw/zinc/46/96/36/1388469636.db2.gz LWXIJDIOZFAKBU-VXOKQSJXSA-N 2 1 349.563 3.243 20 0 EGADMP Nc1ccc2c(c1)[nH]nc2C[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236230338 1376942903 /nfs/dbraw/zinc/94/29/03/1376942903.db2.gz LBTIZTZYRXTNLR-UHFFFAOYSA-N 2 1 349.482 3.417 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167610 1388471473 /nfs/dbraw/zinc/47/14/73/1388471473.db2.gz WUMOWLFEBMUOAP-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167610 1388471475 /nfs/dbraw/zinc/47/14/75/1388471475.db2.gz WUMOWLFEBMUOAP-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167610 1388471478 /nfs/dbraw/zinc/47/14/78/1388471478.db2.gz WUMOWLFEBMUOAP-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](CCC3CCCC3)C[C@H]21)CC(C)(C)C ZINC001189167075 1388471870 /nfs/dbraw/zinc/47/18/70/1388471870.db2.gz AGCBRESHOGGHQI-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21)CC(C)(C)C ZINC001189167075 1388471873 /nfs/dbraw/zinc/47/18/73/1388471873.db2.gz AGCBRESHOGGHQI-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21)CC(C)(C)C ZINC001189167075 1388471876 /nfs/dbraw/zinc/47/18/76/1388471876.db2.gz AGCBRESHOGGHQI-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+](Cc1cncc(OCc2ccccc2)c1)C[C@@H]1CC[NH2+]C1 ZINC001236844661 1376966630 /nfs/dbraw/zinc/96/66/30/1376966630.db2.gz XMBUKTQZJMMDSO-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP CCC[N@H+](Cc1cncc(OCc2ccccc2)c1)C[C@@H]1CC[NH2+]C1 ZINC001236844661 1376966634 /nfs/dbraw/zinc/96/66/34/1376966634.db2.gz XMBUKTQZJMMDSO-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP CCC[N@H+](Cc1c[nH]c2cc(C(=O)OCC)ccc12)C[C@@H]1CC[NH2+]C1 ZINC001236843277 1376967205 /nfs/dbraw/zinc/96/72/05/1376967205.db2.gz GQBIHANRWVFBLN-OAHLLOKOSA-N 2 1 343.471 3.166 20 0 EGADMP CC(C)CN1c2ccccc2[C@@H]2C[N@@H+]([C@@H]3CC[NH2+][C@@H](C)C3)CC[C@@H]21 ZINC001246761299 1377054421 /nfs/dbraw/zinc/05/44/21/1377054421.db2.gz AHQMZEYXSPNDTB-NZGUISNBSA-N 2 1 327.516 3.461 20 0 EGADMP c1csc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246749358 1377054501 /nfs/dbraw/zinc/05/45/01/1377054501.db2.gz WCIUDBJSACUOPH-FTEYMNFISA-N 2 1 345.556 3.319 20 0 EGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001253410339 1377097393 /nfs/dbraw/zinc/09/73/93/1377097393.db2.gz GZRJVPNDCBNQER-OAHLLOKOSA-N 2 1 344.421 3.423 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511170 1377105730 /nfs/dbraw/zinc/10/57/30/1377105730.db2.gz WUSKPVCQIHFUMM-VAMGGRTRSA-N 3 1 333.495 3.382 20 0 EGADMP C[NH+]1CCC[C@@H]([N@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511170 1377105732 /nfs/dbraw/zinc/10/57/32/1377105732.db2.gz WUSKPVCQIHFUMM-VAMGGRTRSA-N 3 1 333.495 3.382 20 0 EGADMP C[NH+]1CCC[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511170 1377105735 /nfs/dbraw/zinc/10/57/35/1377105735.db2.gz WUSKPVCQIHFUMM-VAMGGRTRSA-N 3 1 333.495 3.382 20 0 EGADMP CN1CCC[C@@H]([N@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511170 1377105736 /nfs/dbraw/zinc/10/57/36/1377105736.db2.gz WUSKPVCQIHFUMM-VAMGGRTRSA-N 2 1 333.495 3.382 20 0 EGADMP CN1CCC[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254511170 1377105738 /nfs/dbraw/zinc/10/57/38/1377105738.db2.gz WUSKPVCQIHFUMM-VAMGGRTRSA-N 2 1 333.495 3.382 20 0 EGADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4ccccc4c3)CC2)CC1 ZINC001254529205 1377106786 /nfs/dbraw/zinc/10/67/86/1377106786.db2.gz KYWVXUQGTWKRMF-QFIPXVFZSA-N 2 1 337.511 3.442 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135476389 1377111031 /nfs/dbraw/zinc/11/10/31/1377111031.db2.gz KFUWIGJPEYNNAM-HOTGVXAUSA-N 2 1 325.541 3.027 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001135977176 1377284643 /nfs/dbraw/zinc/28/46/43/1377284643.db2.gz QIRYJQJTCYXVJW-RTBURBONSA-N 2 1 347.547 3.327 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135979019 1377284947 /nfs/dbraw/zinc/28/49/47/1377284947.db2.gz AXBWLYBYPYEINQ-MSOLQXFVSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1ccc(C)cc1 ZINC001135980930 1377285932 /nfs/dbraw/zinc/28/59/32/1377285932.db2.gz VBMYUCSHLRKLTB-MOPGFXCFSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995546 1377292193 /nfs/dbraw/zinc/29/21/93/1377292193.db2.gz HRTAJGNQQMZXNV-AQRBRUGDSA-N 2 1 325.541 3.338 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC1CCC1 ZINC001135997189 1377292924 /nfs/dbraw/zinc/29/29/24/1377292924.db2.gz ZTDQOWNTIIYCBP-IAGOWNOFSA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001266546871 1377330283 /nfs/dbraw/zinc/33/02/83/1377330283.db2.gz YLOAGFIVEUFFQL-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC001266546871 1377330286 /nfs/dbraw/zinc/33/02/86/1377330286.db2.gz YLOAGFIVEUFFQL-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001266546871 1377330291 /nfs/dbraw/zinc/33/02/91/1377330291.db2.gz YLOAGFIVEUFFQL-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)c1ccccc1 ZINC001266640466 1377356480 /nfs/dbraw/zinc/35/64/80/1377356480.db2.gz VRHDSQVTGKKORJ-VAMGGRTRSA-N 2 1 343.515 3.106 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@@H]1CCCC[N@H+]1CCCC(C)(C)C ZINC001266853241 1377394838 /nfs/dbraw/zinc/39/48/38/1377394838.db2.gz IRGINUHBFIXPGC-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001269291531 1377547932 /nfs/dbraw/zinc/54/79/32/1377547932.db2.gz GPUGVTWRLYSEOE-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC001269291531 1377547934 /nfs/dbraw/zinc/54/79/34/1377547934.db2.gz GPUGVTWRLYSEOE-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC001269291531 1377547936 /nfs/dbraw/zinc/54/79/36/1377547936.db2.gz GPUGVTWRLYSEOE-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP c1nc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC001137599495 1377570102 /nfs/dbraw/zinc/57/01/02/1377570102.db2.gz XBBPDFMGINLYRW-QZTJIDSGSA-N 2 1 327.497 3.487 20 0 EGADMP c1nc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC001137599495 1377570104 /nfs/dbraw/zinc/57/01/04/1377570104.db2.gz XBBPDFMGINLYRW-QZTJIDSGSA-N 2 1 327.497 3.487 20 0 EGADMP c1nc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC001137599495 1377570106 /nfs/dbraw/zinc/57/01/06/1377570106.db2.gz XBBPDFMGINLYRW-QZTJIDSGSA-N 2 1 327.497 3.487 20 0 EGADMP c1nc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC001137599495 1377570107 /nfs/dbraw/zinc/57/01/07/1377570107.db2.gz XBBPDFMGINLYRW-QZTJIDSGSA-N 2 1 327.497 3.487 20 0 EGADMP c1nc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC001137599495 1377570109 /nfs/dbraw/zinc/57/01/09/1377570109.db2.gz XBBPDFMGINLYRW-QZTJIDSGSA-N 2 1 327.497 3.487 20 0 EGADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cncnc2)CC3)c1 ZINC001137665753 1377585766 /nfs/dbraw/zinc/58/57/66/1377585766.db2.gz BTYMPJKYEITLMQ-UHFFFAOYSA-N 2 1 328.485 3.026 20 0 EGADMP Oc1cccnc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001138397605 1377717416 /nfs/dbraw/zinc/71/74/16/1377717416.db2.gz XEWKMAPQKRPLBI-RTBURBONSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cccnc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001138397605 1377717417 /nfs/dbraw/zinc/71/74/17/1377717417.db2.gz XEWKMAPQKRPLBI-RTBURBONSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cccnc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001138397605 1377717418 /nfs/dbraw/zinc/71/74/18/1377717418.db2.gz XEWKMAPQKRPLBI-RTBURBONSA-N 2 1 337.467 3.131 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC001138599434 1377750449 /nfs/dbraw/zinc/75/04/49/1377750449.db2.gz IXJXYJSVWHWWIP-UHFFFAOYSA-N 2 1 347.466 3.315 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccnc(Br)c2)CC1 ZINC001138734840 1377775679 /nfs/dbraw/zinc/77/56/79/1377775679.db2.gz RLZHQZWBLPSVSU-UHFFFAOYSA-N 2 1 340.309 3.396 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)cc1 ZINC001138774117 1377782316 /nfs/dbraw/zinc/78/23/16/1377782316.db2.gz ZBOPPTDDOYTQAB-FQEVSTJZSA-N 2 1 340.467 3.063 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cnn(Cc3ccccc3)c2)CC1 ZINC001138768503 1377782484 /nfs/dbraw/zinc/78/24/84/1377782484.db2.gz XSCQGNYKEUJYQH-UHFFFAOYSA-N 2 1 340.515 3.484 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2ccc3c(ccn3C)c2)CC1 ZINC001139190784 1377847267 /nfs/dbraw/zinc/84/72/67/1377847267.db2.gz WPSGZHSBWYTGHU-FQEVSTJZSA-N 2 1 341.499 3.254 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4ccc(Br)cc4[nH]3)C[C@@H]2C1 ZINC001139472803 1377890493 /nfs/dbraw/zinc/89/04/93/1377890493.db2.gz MHLYUFLADKZMGR-KGLIPLIRSA-N 2 1 348.288 3.314 20 0 EGADMP Oc1cnccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001140278598 1378039352 /nfs/dbraw/zinc/03/93/52/1378039352.db2.gz GTYMWDGZRMGDHQ-MOPGFXCFSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cnccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001140278598 1378039354 /nfs/dbraw/zinc/03/93/54/1378039354.db2.gz GTYMWDGZRMGDHQ-MOPGFXCFSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cnccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001140278598 1378039355 /nfs/dbraw/zinc/03/93/55/1378039355.db2.gz GTYMWDGZRMGDHQ-MOPGFXCFSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cnccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001140278598 1378039357 /nfs/dbraw/zinc/03/93/57/1378039357.db2.gz GTYMWDGZRMGDHQ-MOPGFXCFSA-N 2 1 337.467 3.131 20 0 EGADMP CCCCN1CC[C@@]2(CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272716906 1378080010 /nfs/dbraw/zinc/08/00/10/1378080010.db2.gz MFKIUSPYSAIOJB-NRFANRHFSA-N 2 1 349.563 3.367 20 0 EGADMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1cccc3cc[nH]c31)C2 ZINC001275164099 1378136174 /nfs/dbraw/zinc/13/61/74/1378136174.db2.gz CHOMKMVVDHAKKH-NRFANRHFSA-N 2 1 340.515 3.017 20 0 EGADMP COC(=O)[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)[C@H]1c1ccccc1 ZINC001140801443 1378140975 /nfs/dbraw/zinc/14/09/75/1378140975.db2.gz NRUIUBZADVPVDM-APWZRJJASA-N 2 1 335.407 3.299 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)[C@H]1c1ccccc1 ZINC001140801443 1378140978 /nfs/dbraw/zinc/14/09/78/1378140978.db2.gz NRUIUBZADVPVDM-APWZRJJASA-N 2 1 335.407 3.299 20 0 EGADMP O=C1Nc2ccccc2CN1[C@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140806850 1378145858 /nfs/dbraw/zinc/14/58/58/1378145858.db2.gz UQOZETFPGLCOQX-INIZCTEOSA-N 2 1 347.422 3.185 20 0 EGADMP O=C1Nc2ccccc2CN1[C@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140806850 1378145861 /nfs/dbraw/zinc/14/58/61/1378145861.db2.gz UQOZETFPGLCOQX-INIZCTEOSA-N 2 1 347.422 3.185 20 0 EGADMP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001275634289 1378148903 /nfs/dbraw/zinc/14/89/03/1378148903.db2.gz ONWJWFWDFUOBQW-FQEVSTJZSA-N 2 1 349.950 3.498 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276163318 1378168804 /nfs/dbraw/zinc/16/88/04/1378168804.db2.gz VIPCBKCERZFHBG-KDURUIRLSA-N 2 1 338.499 3.263 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276163318 1378168809 /nfs/dbraw/zinc/16/88/09/1378168809.db2.gz VIPCBKCERZFHBG-KDURUIRLSA-N 2 1 338.499 3.263 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276163318 1378168813 /nfs/dbraw/zinc/16/88/13/1378168813.db2.gz VIPCBKCERZFHBG-KDURUIRLSA-N 2 1 338.499 3.263 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](C)CC2)CCC1(F)F ZINC001140969940 1378196029 /nfs/dbraw/zinc/19/60/29/1378196029.db2.gz AFHMXHPGIRQFGB-MRXNPFEDSA-N 2 1 337.458 3.306 20 0 EGADMP Cc1ccc2c(c1)C[N@@H+](Cc1ccccc1N1CC[NH+](C)CC1)CC2 ZINC001140969235 1378196576 /nfs/dbraw/zinc/19/65/76/1378196576.db2.gz ZVLQWXWSXHOCMA-UHFFFAOYSA-N 2 1 335.495 3.305 20 0 EGADMP CCc1ccccc1C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001141229729 1378278023 /nfs/dbraw/zinc/27/80/23/1378278023.db2.gz PUSTYHLZRXLWQK-IBGZPJMESA-N 2 1 344.499 3.098 20 0 EGADMP CCc1ccccc1C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001141229729 1378278030 /nfs/dbraw/zinc/27/80/30/1378278030.db2.gz PUSTYHLZRXLWQK-IBGZPJMESA-N 2 1 344.499 3.098 20 0 EGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc3cc(F)ccc3n1)CC2 ZINC001141644726 1378356601 /nfs/dbraw/zinc/35/66/01/1378356601.db2.gz KBFUVGWCJLWFCC-UHFFFAOYSA-N 2 1 342.418 3.004 20 0 EGADMP C[NH+]1CC2(C1)CC[NH+](Cc1ncc(C(F)(F)F)cc1Cl)CC2 ZINC001142555102 1378458472 /nfs/dbraw/zinc/45/84/72/1378458472.db2.gz KJWYEFDVQQKBNK-UHFFFAOYSA-N 2 1 333.785 3.281 20 0 EGADMP CC(C)CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001282667234 1378540370 /nfs/dbraw/zinc/54/03/70/1378540370.db2.gz XDXYLLLOIGRERJ-OALUTQOASA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)CC(C)(C)C ZINC001143140335 1378546203 /nfs/dbraw/zinc/54/62/03/1378546203.db2.gz NJFPVQXDEOBAKW-ROUUACIJSA-N 2 1 339.568 3.323 20 0 EGADMP Cc1cc(F)cc(CN2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001143584841 1378621096 /nfs/dbraw/zinc/62/10/96/1378621096.db2.gz ABGORLKJDKCEBR-KDURUIRLSA-N 2 1 325.431 3.093 20 0 EGADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001143769585 1378644404 /nfs/dbraw/zinc/64/44/04/1378644404.db2.gz JOXSCOUQBAKJQG-IBGZPJMESA-N 2 1 335.536 3.116 20 0 EGADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001143769585 1378644405 /nfs/dbraw/zinc/64/44/05/1378644405.db2.gz JOXSCOUQBAKJQG-IBGZPJMESA-N 2 1 335.536 3.116 20 0 EGADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001143769585 1378644407 /nfs/dbraw/zinc/64/44/07/1378644407.db2.gz JOXSCOUQBAKJQG-IBGZPJMESA-N 2 1 335.536 3.116 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](CC(CC)CC)C2 ZINC001282977978 1378695274 /nfs/dbraw/zinc/69/52/74/1378695274.db2.gz RYGWPYQIQMQKDA-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+](CC(CC)CC)C2 ZINC001282977978 1378695276 /nfs/dbraw/zinc/69/52/76/1378695276.db2.gz RYGWPYQIQMQKDA-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CCC[N@@H+](CC(CC)CC)C2 ZINC001282977978 1378695277 /nfs/dbraw/zinc/69/52/77/1378695277.db2.gz RYGWPYQIQMQKDA-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP C[N@H+](Cc1ccccc1)C1CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144622594 1378751126 /nfs/dbraw/zinc/75/11/26/1378751126.db2.gz KGGXKIIETFKXIN-UHFFFAOYSA-N 2 1 334.467 3.431 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144622594 1378751128 /nfs/dbraw/zinc/75/11/28/1378751128.db2.gz KGGXKIIETFKXIN-UHFFFAOYSA-N 2 1 334.467 3.431 20 0 EGADMP c1[nH+]c(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2ccccn12 ZINC001144627444 1378752950 /nfs/dbraw/zinc/75/29/50/1378752950.db2.gz PAXGIFIGNGAVLL-WIYYLYMNSA-N 2 1 332.451 3.041 20 0 EGADMP c1[nH+]c(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c2ccccn12 ZINC001144627444 1378752952 /nfs/dbraw/zinc/75/29/52/1378752952.db2.gz PAXGIFIGNGAVLL-WIYYLYMNSA-N 2 1 332.451 3.041 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001146601113 1378876082 /nfs/dbraw/zinc/87/60/82/1378876082.db2.gz KBHQGQLVQYLDJM-SJORKVTESA-N 2 1 345.531 3.277 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](CC)c1ccccc1 ZINC001147358658 1379008172 /nfs/dbraw/zinc/00/81/72/1379008172.db2.gz HUSUXXGWSLFTBA-PMACEKPBSA-N 2 1 345.531 3.498 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147987116 1379103278 /nfs/dbraw/zinc/10/32/78/1379103278.db2.gz YDWLEGRRMGROOH-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001147987116 1379103280 /nfs/dbraw/zinc/10/32/80/1379103280.db2.gz YDWLEGRRMGROOH-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001147987116 1379103282 /nfs/dbraw/zinc/10/32/82/1379103282.db2.gz YDWLEGRRMGROOH-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001283704595 1379130031 /nfs/dbraw/zinc/13/00/31/1379130031.db2.gz NVEDOEBKDPYNMI-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC1=CCCCC1)C2)[NH+](CC)CC ZINC001148286720 1379146133 /nfs/dbraw/zinc/14/61/33/1379146133.db2.gz XFJALNSQMRBDCT-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001148551945 1379209209 /nfs/dbraw/zinc/20/92/09/1379209209.db2.gz YMVJQQWAXAFPBH-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001148551945 1379209213 /nfs/dbraw/zinc/20/92/13/1379209213.db2.gz YMVJQQWAXAFPBH-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001148551945 1379209217 /nfs/dbraw/zinc/20/92/17/1379209217.db2.gz YMVJQQWAXAFPBH-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC001148638943 1379232641 /nfs/dbraw/zinc/23/26/41/1379232641.db2.gz UTANMIGXWGNLPP-GFCCVEGCSA-N 2 1 346.302 3.102 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCCC1CCCC1)C2 ZINC001148657176 1379236406 /nfs/dbraw/zinc/23/64/06/1379236406.db2.gz OXMPARYZJNMTJL-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CCCC1CCCC1)C2 ZINC001148657176 1379236411 /nfs/dbraw/zinc/23/64/11/1379236411.db2.gz OXMPARYZJNMTJL-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CCCC1CCCC1)C2 ZINC001148657176 1379236418 /nfs/dbraw/zinc/23/64/18/1379236418.db2.gz OXMPARYZJNMTJL-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP C[NH+](C)Cc1cnc(CNc2cccc(C[NH+]3CCCC3)c2)s1 ZINC001327875430 1388612622 /nfs/dbraw/zinc/61/26/22/1388612622.db2.gz KLEQOGRZKYDZOZ-UHFFFAOYSA-N 2 1 330.501 3.413 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC001152426050 1379931325 /nfs/dbraw/zinc/93/13/25/1379931325.db2.gz BUBYDLOJESSYEU-UHFFFAOYSA-N 2 1 345.531 3.006 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001284642240 1380048180 /nfs/dbraw/zinc/04/81/80/1380048180.db2.gz MQSNEFZUSHDZQJ-QGZVFWFLSA-N 2 1 325.541 3.029 20 0 EGADMP CC[N@@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153490871 1380084320 /nfs/dbraw/zinc/08/43/20/1380084320.db2.gz FHPRMYKXRROVLG-ZHALLVOQSA-N 2 1 349.563 3.124 20 0 EGADMP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153490871 1380084322 /nfs/dbraw/zinc/08/43/22/1380084322.db2.gz FHPRMYKXRROVLG-ZHALLVOQSA-N 2 1 349.563 3.124 20 0 EGADMP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153490871 1380084324 /nfs/dbraw/zinc/08/43/24/1380084324.db2.gz FHPRMYKXRROVLG-ZHALLVOQSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1F ZINC001153728681 1380119321 /nfs/dbraw/zinc/11/93/21/1380119321.db2.gz RFKIMASBCUUZTP-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1F ZINC001153728681 1380119323 /nfs/dbraw/zinc/11/93/23/1380119323.db2.gz RFKIMASBCUUZTP-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1F ZINC001153728681 1380119324 /nfs/dbraw/zinc/11/93/24/1380119324.db2.gz RFKIMASBCUUZTP-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001153727947 1380119479 /nfs/dbraw/zinc/11/94/79/1380119479.db2.gz ITWNZQRWPIKLOO-COQIJWMOSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001153727947 1380119480 /nfs/dbraw/zinc/11/94/80/1380119480.db2.gz ITWNZQRWPIKLOO-COQIJWMOSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001153727947 1380119481 /nfs/dbraw/zinc/11/94/81/1380119481.db2.gz ITWNZQRWPIKLOO-COQIJWMOSA-N 2 1 337.552 3.434 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC(C)(C)C ZINC001153727609 1380119504 /nfs/dbraw/zinc/11/95/04/1380119504.db2.gz DSGJFQBWVWWCAF-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCC(C)(C)C ZINC001153727609 1380119505 /nfs/dbraw/zinc/11/95/05/1380119505.db2.gz DSGJFQBWVWWCAF-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)(C)C ZINC001153727609 1380119506 /nfs/dbraw/zinc/11/95/06/1380119506.db2.gz DSGJFQBWVWWCAF-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854803 1380144364 /nfs/dbraw/zinc/14/43/64/1380144364.db2.gz XSNILFBNFYGPMW-QGZVFWFLSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153854803 1380144365 /nfs/dbraw/zinc/14/43/65/1380144365.db2.gz XSNILFBNFYGPMW-QGZVFWFLSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153854803 1380144366 /nfs/dbraw/zinc/14/43/66/1380144366.db2.gz XSNILFBNFYGPMW-QGZVFWFLSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153879934 1380149074 /nfs/dbraw/zinc/14/90/74/1380149074.db2.gz PHHOJURUKWQJHA-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153879934 1380149076 /nfs/dbraw/zinc/14/90/76/1380149076.db2.gz PHHOJURUKWQJHA-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153879934 1380149077 /nfs/dbraw/zinc/14/90/77/1380149077.db2.gz PHHOJURUKWQJHA-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990880 1380172788 /nfs/dbraw/zinc/17/27/88/1380172788.db2.gz WGZWBWQWOZDKHJ-GOSISDBHSA-N 2 1 349.563 3.269 20 0 EGADMP CCc1ccc(C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)CC)cc1 ZINC001154069432 1380198714 /nfs/dbraw/zinc/19/87/14/1380198714.db2.gz DMFMSMSMANDKRN-QGZVFWFLSA-N 2 1 347.547 3.306 20 0 EGADMP CCc1ccc(C[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC)cc1 ZINC001154069432 1380198726 /nfs/dbraw/zinc/19/87/26/1380198726.db2.gz DMFMSMSMANDKRN-QGZVFWFLSA-N 2 1 347.547 3.306 20 0 EGADMP CCc1ccc(C[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC)cc1 ZINC001154069432 1380198727 /nfs/dbraw/zinc/19/87/27/1380198727.db2.gz DMFMSMSMANDKRN-QGZVFWFLSA-N 2 1 347.547 3.306 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](CC)CC2=CCCCC2)C1 ZINC001154784208 1380350616 /nfs/dbraw/zinc/35/06/16/1380350616.db2.gz AWIPVGVOTAQFNW-QUCCMNQESA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC2=CCCCC2)C1 ZINC001154784208 1380350618 /nfs/dbraw/zinc/35/06/18/1380350618.db2.gz AWIPVGVOTAQFNW-QUCCMNQESA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC2=CCCCC2)C1 ZINC001154784208 1380350620 /nfs/dbraw/zinc/35/06/20/1380350620.db2.gz AWIPVGVOTAQFNW-QUCCMNQESA-N 2 1 349.563 3.435 20 0 EGADMP CC[N@@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226667 1380426702 /nfs/dbraw/zinc/42/67/02/1380426702.db2.gz MNKKGKCUDIGMIY-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155226667 1380426703 /nfs/dbraw/zinc/42/67/03/1380426703.db2.gz MNKKGKCUDIGMIY-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155226667 1380426704 /nfs/dbraw/zinc/42/67/04/1380426704.db2.gz MNKKGKCUDIGMIY-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155227145 1380426876 /nfs/dbraw/zinc/42/68/76/1380426876.db2.gz VVYGOYRLXBRHRA-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155227145 1380426878 /nfs/dbraw/zinc/42/68/78/1380426878.db2.gz VVYGOYRLXBRHRA-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155227145 1380426880 /nfs/dbraw/zinc/42/68/80/1380426880.db2.gz VVYGOYRLXBRHRA-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825836 1380495911 /nfs/dbraw/zinc/49/59/11/1380495911.db2.gz TUNHZDJPLWKIHV-QGZVFWFLSA-N 2 1 348.535 3.379 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825836 1380495912 /nfs/dbraw/zinc/49/59/12/1380495912.db2.gz TUNHZDJPLWKIHV-QGZVFWFLSA-N 2 1 348.535 3.379 20 0 EGADMP CC[N@@H+](CC1CC(C)C1)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155838748 1380497950 /nfs/dbraw/zinc/49/79/50/1380497950.db2.gz DHWAYAHSBBMZOG-TVRKMHQQSA-N 2 1 345.531 3.235 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)C[C@@H](C)CC ZINC001155877941 1380501883 /nfs/dbraw/zinc/50/18/83/1380501883.db2.gz OSTYOXWBIWTNIS-ZWKOTPCHSA-N 2 1 327.557 3.371 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](C)CC ZINC001155877941 1380501885 /nfs/dbraw/zinc/50/18/85/1380501885.db2.gz OSTYOXWBIWTNIS-ZWKOTPCHSA-N 2 1 327.557 3.371 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](C)CC ZINC001155877941 1380501887 /nfs/dbraw/zinc/50/18/87/1380501887.db2.gz OSTYOXWBIWTNIS-ZWKOTPCHSA-N 2 1 327.557 3.371 20 0 EGADMP CC[NH+](CCCc1ccccc1C)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156199595 1380540823 /nfs/dbraw/zinc/54/08/23/1380540823.db2.gz BPBHSTYWCWGGRU-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CCCc1ccccc1C ZINC001156199595 1380540824 /nfs/dbraw/zinc/54/08/24/1380540824.db2.gz BPBHSTYWCWGGRU-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CCCc1ccccc1C ZINC001156199595 1380540827 /nfs/dbraw/zinc/54/08/27/1380540827.db2.gz BPBHSTYWCWGGRU-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)NC[C@@H](C)[N@@H+](CC)CC(C)C ZINC001156319215 1380558095 /nfs/dbraw/zinc/55/80/95/1380558095.db2.gz QJDDQIHZFYXCTD-GOSISDBHSA-N 2 1 327.557 3.371 20 0 EGADMP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374333 1380566605 /nfs/dbraw/zinc/56/66/05/1380566605.db2.gz OOOODIHDLYEFGK-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156374333 1380566607 /nfs/dbraw/zinc/56/66/07/1380566607.db2.gz OOOODIHDLYEFGK-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156374333 1380566608 /nfs/dbraw/zinc/56/66/08/1380566608.db2.gz OOOODIHDLYEFGK-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098438 1380775474 /nfs/dbraw/zinc/77/54/74/1380775474.db2.gz GAOZTZWKERGWBD-GOSISDBHSA-N 2 1 335.536 3.189 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109516 1380777118 /nfs/dbraw/zinc/77/71/18/1380777118.db2.gz PYHKVVFTROYIML-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001157109516 1380777123 /nfs/dbraw/zinc/77/71/23/1380777123.db2.gz PYHKVVFTROYIML-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109236 1380777436 /nfs/dbraw/zinc/77/74/36/1380777436.db2.gz KEPNIMKQBGQRNI-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001157109236 1380777437 /nfs/dbraw/zinc/77/74/37/1380777437.db2.gz KEPNIMKQBGQRNI-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109332 1380777598 /nfs/dbraw/zinc/77/75/98/1380777598.db2.gz NELLYNDBIDKPCD-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](Cc1cccc(C)c1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001157109332 1380777603 /nfs/dbraw/zinc/77/76/03/1380777603.db2.gz NELLYNDBIDKPCD-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109039 1380777665 /nfs/dbraw/zinc/77/76/65/1380777665.db2.gz HHRULWBKZNNPFQ-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001157109039 1380777667 /nfs/dbraw/zinc/77/76/67/1380777667.db2.gz HHRULWBKZNNPFQ-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](CC1CC(C)C1)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157256284 1380824806 /nfs/dbraw/zinc/82/48/06/1380824806.db2.gz RRGSIOBCWDXWOM-JLAWEPINSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+]1CCN(C(=O)c2cccc([C@H]3CCC[NH2+]3)c2)[C@H](c2ccccc2)C1 ZINC001157508700 1380950793 /nfs/dbraw/zinc/95/07/93/1380950793.db2.gz XBHIHIFPHBMFGH-RTWAWAEBSA-N 2 1 349.478 3.240 20 0 EGADMP C[N@H+]1CCN(C(=O)c2cccc([C@H]3CCC[NH2+]3)c2)[C@H](c2ccccc2)C1 ZINC001157508700 1380950804 /nfs/dbraw/zinc/95/08/04/1380950804.db2.gz XBHIHIFPHBMFGH-RTWAWAEBSA-N 2 1 349.478 3.240 20 0 EGADMP C[N@@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001157964929 1381083986 /nfs/dbraw/zinc/08/39/86/1381083986.db2.gz INTRFGNVIJNOQT-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001158082314 1381123295 /nfs/dbraw/zinc/12/32/95/1381123295.db2.gz BOAINOQVYIKATA-RBUKOAKNSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)=CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001158082314 1381123300 /nfs/dbraw/zinc/12/33/00/1381123300.db2.gz BOAINOQVYIKATA-RBUKOAKNSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)=CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001158082314 1381123302 /nfs/dbraw/zinc/12/33/02/1381123302.db2.gz BOAINOQVYIKATA-RBUKOAKNSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001158090120 1381124774 /nfs/dbraw/zinc/12/47/74/1381124774.db2.gz JDWZVFKAVNUVAI-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001158090120 1381124776 /nfs/dbraw/zinc/12/47/76/1381124776.db2.gz JDWZVFKAVNUVAI-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001158090120 1381124780 /nfs/dbraw/zinc/12/47/80/1381124780.db2.gz JDWZVFKAVNUVAI-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP C[N@@H+](C/C=C/Cl)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158185203 1381151549 /nfs/dbraw/zinc/15/15/49/1381151549.db2.gz CCUMTZNWNBTVBC-IEXSPKMKSA-N 2 1 346.862 3.013 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001158283464 1381184129 /nfs/dbraw/zinc/18/41/29/1381184129.db2.gz MBJDXPMMLDAXMA-GOSISDBHSA-N 2 1 337.552 3.364 20 0 EGADMP Cc1c[nH+]c(N(Cc2ccc(F)cc2)C2CC[NH+](C)CC2)c(N)c1 ZINC001158448990 1381249605 /nfs/dbraw/zinc/24/96/05/1381249605.db2.gz LLPHOJPMRYIRIV-UHFFFAOYSA-N 2 1 328.435 3.212 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CCCC2CCC2)C1 ZINC001158474307 1381257584 /nfs/dbraw/zinc/25/75/84/1381257584.db2.gz XBUWIRPRNAGXTR-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@H+](C)CCCC2CCC2)C1 ZINC001158474307 1381257595 /nfs/dbraw/zinc/25/75/95/1381257595.db2.gz XBUWIRPRNAGXTR-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CCCC2CCC2)C1 ZINC001158474307 1381257600 /nfs/dbraw/zinc/25/76/00/1381257600.db2.gz XBUWIRPRNAGXTR-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001158486464 1381264414 /nfs/dbraw/zinc/26/44/14/1381264414.db2.gz DKLNNCUIVABQGR-MSOLQXFVSA-N 2 1 325.541 3.076 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC1CCC1 ZINC001158625311 1381328979 /nfs/dbraw/zinc/32/89/79/1381328979.db2.gz NDABBGHPVIFKLQ-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cccc(N2CCOCC2)[nH+]1 ZINC001158739406 1381377122 /nfs/dbraw/zinc/37/71/22/1381377122.db2.gz XMROMVGZJIAGKF-KRWDZBQOSA-N 2 1 338.455 3.158 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)C[C@H](C)CC(C)C ZINC001158786854 1381399734 /nfs/dbraw/zinc/39/97/34/1381399734.db2.gz IJUNLLHBIIWTAO-RTBURBONSA-N 2 1 339.568 3.323 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@H](C)CC(C)C ZINC001158786854 1381399739 /nfs/dbraw/zinc/39/97/39/1381399739.db2.gz IJUNLLHBIIWTAO-RTBURBONSA-N 2 1 339.568 3.323 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)C[C@H](C)CC(C)C ZINC001158786854 1381399743 /nfs/dbraw/zinc/39/97/43/1381399743.db2.gz IJUNLLHBIIWTAO-RTBURBONSA-N 2 1 339.568 3.323 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001159335336 1381767833 /nfs/dbraw/zinc/76/78/33/1381767833.db2.gz YKORYLFZGOEJIR-GOSISDBHSA-N 2 1 337.552 3.173 20 0 EGADMP CN1CCN(c2cc[nH+]cc2Nc2ccc([C@H]3CCC[NH2+]3)cc2)CC1 ZINC001159365198 1381778238 /nfs/dbraw/zinc/77/82/38/1381778238.db2.gz ATCIZBITTQJZDR-GOSISDBHSA-N 2 1 337.471 3.002 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC001159838225 1381917011 /nfs/dbraw/zinc/91/70/11/1381917011.db2.gz JVPSSWXQWRSEQS-UYAOXDASSA-N 2 1 345.531 3.130 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC001159909218 1381934451 /nfs/dbraw/zinc/93/44/51/1381934451.db2.gz LMIZJZJZVVKKOP-IAGOWNOFSA-N 2 1 349.494 3.246 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159909188 1381934730 /nfs/dbraw/zinc/93/47/30/1381934730.db2.gz KYUYQXIXEWWXKN-HXUWFJFHSA-N 2 1 349.563 3.460 20 0 EGADMP Cc1[nH]c2ccc(Nc3c(F)cccc3N3CC[NH2+]CC3)cc2[nH+]1 ZINC001160062825 1381986517 /nfs/dbraw/zinc/98/65/17/1381986517.db2.gz CDKAOVLLHHXYNG-UHFFFAOYSA-N 2 1 325.391 3.164 20 0 EGADMP Nc1c(F)cccc1N(CC1CC[NH2+]CC1)c1ccc2[nH+]ccn2c1 ZINC001160080421 1381991242 /nfs/dbraw/zinc/99/12/42/1381991242.db2.gz WHGPRCJGDDGMMQ-UHFFFAOYSA-N 2 1 339.418 3.193 20 0 EGADMP Nc1cc(F)ccc1N(CC1CC[NH2+]CC1)c1ccc2[nH+]ccn2c1 ZINC001160092665 1381994754 /nfs/dbraw/zinc/99/47/54/1381994754.db2.gz ZAHFCYFRWAMDAH-UHFFFAOYSA-N 2 1 339.418 3.193 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120383 1382003294 /nfs/dbraw/zinc/00/32/94/1382003294.db2.gz MBARDMWPFOCSRX-FQEVSTJZSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160120383 1382003297 /nfs/dbraw/zinc/00/32/97/1382003297.db2.gz MBARDMWPFOCSRX-FQEVSTJZSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160120383 1382003304 /nfs/dbraw/zinc/00/33/04/1382003304.db2.gz MBARDMWPFOCSRX-FQEVSTJZSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160400200 1382094357 /nfs/dbraw/zinc/09/43/57/1382094357.db2.gz LENQWZUPHFKRHE-MJGOQNOKSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001160400200 1382094371 /nfs/dbraw/zinc/09/43/71/1382094371.db2.gz LENQWZUPHFKRHE-MJGOQNOKSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001160400200 1382094376 /nfs/dbraw/zinc/09/43/76/1382094376.db2.gz LENQWZUPHFKRHE-MJGOQNOKSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160400198 1382094399 /nfs/dbraw/zinc/09/43/99/1382094399.db2.gz LENQWZUPHFKRHE-HKUYNNGSSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001160400198 1382094402 /nfs/dbraw/zinc/09/44/02/1382094402.db2.gz LENQWZUPHFKRHE-HKUYNNGSSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001160400198 1382094406 /nfs/dbraw/zinc/09/44/06/1382094406.db2.gz LENQWZUPHFKRHE-HKUYNNGSSA-N 2 1 335.536 3.045 20 0 EGADMP [NH3+]C[C@]1(Nc2nc(Cl)ccc2-c2ccccc2)C[NH+]2CCC1CC2 ZINC001160511503 1382127094 /nfs/dbraw/zinc/12/70/94/1382127094.db2.gz NTTXFDMQVBOHTH-IBGZPJMESA-N 2 1 342.874 3.237 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160519284 1382130474 /nfs/dbraw/zinc/13/04/74/1382130474.db2.gz YVRBIDQTKFUAFV-CMDGGOBGSA-N 2 1 335.536 3.211 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001160519284 1382130477 /nfs/dbraw/zinc/13/04/77/1382130477.db2.gz YVRBIDQTKFUAFV-CMDGGOBGSA-N 2 1 335.536 3.211 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001160519284 1382130481 /nfs/dbraw/zinc/13/04/81/1382130481.db2.gz YVRBIDQTKFUAFV-CMDGGOBGSA-N 2 1 335.536 3.211 20 0 EGADMP CC(C)c1ccc(CCNc2nc(N3CCC([NH3+])CC3)cc[nH+]2)cc1 ZINC001160813515 1382204671 /nfs/dbraw/zinc/20/46/71/1382204671.db2.gz RVBCCJFVIORIKD-UHFFFAOYSA-N 2 1 339.487 3.182 20 0 EGADMP C[C@@H]1CCC[C@H](CC[N@@H+]2CC=C(CCNC(=O)CC[NH+](C)C)CC2)C1 ZINC001161106746 1382299023 /nfs/dbraw/zinc/29/90/23/1382299023.db2.gz JEJZUAKLTGFSFX-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP C[C@H]1CCC[C@@H](CC[N@@H+]2CC=C(CCNC(=O)CC[NH+](C)C)CC2)C1 ZINC001161106744 1382299103 /nfs/dbraw/zinc/29/91/03/1382299103.db2.gz JEJZUAKLTGFSFX-ICSRJNTNSA-N 2 1 349.563 3.293 20 0 EGADMP CC(C)[C@H](C(=O)NCCC1=CC[N@@H+](CCC2CCCC2)CC1)[NH+](C)C ZINC001161133199 1382313949 /nfs/dbraw/zinc/31/39/49/1382313949.db2.gz DXFNSEBPZSNXJE-HXUWFJFHSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001161220196 1382346703 /nfs/dbraw/zinc/34/67/03/1382346703.db2.gz YMMQKPBCAPMCQP-RBUKOAKNSA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161219665 1382346907 /nfs/dbraw/zinc/34/69/07/1382346907.db2.gz KHKUEJRUZGUOQL-AATRIKPKSA-N 2 1 347.547 3.213 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001161219665 1382346909 /nfs/dbraw/zinc/34/69/09/1382346909.db2.gz KHKUEJRUZGUOQL-AATRIKPKSA-N 2 1 347.547 3.213 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001161219665 1382346915 /nfs/dbraw/zinc/34/69/15/1382346915.db2.gz KHKUEJRUZGUOQL-AATRIKPKSA-N 2 1 347.547 3.213 20 0 EGADMP CC[C@@H](C(=O)NCCC1=CC[N@@H+](C[C@H](C)CC(C)C)CC1)[NH+](C)C ZINC001161239558 1382351422 /nfs/dbraw/zinc/35/14/22/1382351422.db2.gz JLFSRNFOTHMYIJ-MJGOQNOKSA-N 2 1 337.552 3.147 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161553530 1382438567 /nfs/dbraw/zinc/43/85/67/1382438567.db2.gz CZASIWZFGFZJBM-PLNGDYQASA-N 2 1 347.547 3.213 20 0 EGADMP Cc1cc(C)cc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001161643808 1382468221 /nfs/dbraw/zinc/46/82/21/1382468221.db2.gz BOZMQWZHDDKJDQ-HXUWFJFHSA-N 2 1 345.531 3.020 20 0 EGADMP C[NH+](C)CCCCC(=O)NCCC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001161733794 1382491808 /nfs/dbraw/zinc/49/18/08/1382491808.db2.gz KKAWTTGCMDBCCD-UHFFFAOYSA-N 2 1 343.515 3.057 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1=CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001161758610 1382496934 /nfs/dbraw/zinc/49/69/34/1382496934.db2.gz IQRIUZBJVWTXRV-SFHVURJKSA-N 2 1 343.515 3.228 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ccccc2)CC1 ZINC001161758610 1382496935 /nfs/dbraw/zinc/49/69/35/1382496935.db2.gz IQRIUZBJVWTXRV-SFHVURJKSA-N 2 1 343.515 3.228 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@H+]([C@@H](C)c2ccccc2)CC1 ZINC001161758610 1382496940 /nfs/dbraw/zinc/49/69/40/1382496940.db2.gz IQRIUZBJVWTXRV-SFHVURJKSA-N 2 1 343.515 3.228 20 0 EGADMP O=C(C[NH+]1CCCC1)NCCC1=CC[N@@H+](CCCC2CCCC2)CC1 ZINC001161878770 1382537796 /nfs/dbraw/zinc/53/77/96/1382537796.db2.gz APZDPGIXRKFHSV-UHFFFAOYSA-N 2 1 347.547 3.191 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952134 1382567118 /nfs/dbraw/zinc/56/71/18/1382567118.db2.gz DKGAVPMZSHTOIP-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP COCCC1([NH3+])CCN(c2cc(C)c3ccc(C)c(C)c3[nH+]2)CC1 ZINC001162045216 1382612667 /nfs/dbraw/zinc/61/26/67/1382612667.db2.gz DVONGSXLLZFILZ-UHFFFAOYSA-N 2 1 327.472 3.494 20 0 EGADMP Cc1ccnc(CNc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)n1 ZINC001162192974 1382652942 /nfs/dbraw/zinc/65/29/42/1382652942.db2.gz FBCFJBQZITXTEZ-MRXNPFEDSA-N 2 1 336.443 3.061 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001328659334 1388800091 /nfs/dbraw/zinc/80/00/91/1388800091.db2.gz GLTNLZVDRNUHBV-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1c[nH+]c2c(Br)cccn12 ZINC001162465026 1382765733 /nfs/dbraw/zinc/76/57/33/1382765733.db2.gz BFDAERLTONLSKQ-NEPJUHHUSA-N 2 1 337.265 3.144 20 0 EGADMP CCc1cc(NCCCP(CCC[NH3+])c2ccccc2)nc(C)[nH+]1 ZINC001162467730 1382766350 /nfs/dbraw/zinc/76/63/50/1382766350.db2.gz XAXVGMAGSMTZHB-UHFFFAOYSA-N 2 1 344.443 3.306 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001328693119 1388810383 /nfs/dbraw/zinc/81/03/83/1388810383.db2.gz GRFUTLNKDOGMJV-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(N2C[C@H]([NH3+])Cc3ccccc32)nc1 ZINC001162844843 1382892685 /nfs/dbraw/zinc/89/26/85/1382892685.db2.gz OLUGZQHRQFANPP-QFBILLFUSA-N 2 1 336.483 3.478 20 0 EGADMP CCCCCC[NH2+]CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001163275029 1383010567 /nfs/dbraw/zinc/01/05/67/1383010567.db2.gz NLVRQTRMFOHHQM-UHFFFAOYSA-N 2 1 325.541 3.317 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](Nc2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@@H](C)C1 ZINC001163371655 1383035963 /nfs/dbraw/zinc/03/59/63/1383035963.db2.gz RWRWPKSRQTUPOB-QFBILLFUSA-N 3 1 346.519 3.085 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](Nc2cc(OC3CC[NH+](C)CC3)ccn2)[C@@H](C)C1 ZINC001163371655 1383035966 /nfs/dbraw/zinc/03/59/66/1383035966.db2.gz RWRWPKSRQTUPOB-QFBILLFUSA-N 2 1 346.519 3.085 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](Nc2cc(OC3CC[NH+](C)CC3)ccn2)[C@@H](C)C1 ZINC001163371655 1383035970 /nfs/dbraw/zinc/03/59/70/1383035970.db2.gz RWRWPKSRQTUPOB-QFBILLFUSA-N 2 1 346.519 3.085 20 0 EGADMP COCC[N@H+](C)[C@H](CNc1cc(OC)cc[nH+]1)c1ccc(Cl)cc1 ZINC001163385135 1383038225 /nfs/dbraw/zinc/03/82/25/1383038225.db2.gz HWZXXDAPWPFZON-QGZVFWFLSA-N 2 1 349.862 3.475 20 0 EGADMP COCC[N@@H+](C)[C@H](CNc1cc(OC)cc[nH+]1)c1ccc(Cl)cc1 ZINC001163385135 1383038230 /nfs/dbraw/zinc/03/82/30/1383038230.db2.gz HWZXXDAPWPFZON-QGZVFWFLSA-N 2 1 349.862 3.475 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001163821632 1383125804 /nfs/dbraw/zinc/12/58/04/1383125804.db2.gz NNIJBXBDALQTDS-PKOBYXMFSA-N 2 1 343.515 3.026 20 0 EGADMP C[C@H]([NH3+])c1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC001164499129 1383193979 /nfs/dbraw/zinc/19/39/79/1383193979.db2.gz LQOUEBARONKRNU-GIOGAUJUSA-N 2 1 336.483 3.424 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]([NH3+])C(F)(F)C2)nc1 ZINC001165127127 1383233395 /nfs/dbraw/zinc/23/33/95/1383233395.db2.gz CMYVZURXGJEJQV-HZPDHXFCSA-N 2 1 338.446 3.191 20 0 EGADMP CC(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165484150 1383300875 /nfs/dbraw/zinc/30/08/75/1383300875.db2.gz AAIFVPOMOFOAQH-IBGZPJMESA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001165484256 1383300957 /nfs/dbraw/zinc/30/09/57/1383300957.db2.gz BTSWCOZOWRUCSH-MRXNPFEDSA-N 2 1 346.519 3.073 20 0 EGADMP CCC/C=C\CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001165492652 1383303088 /nfs/dbraw/zinc/30/30/88/1383303088.db2.gz XWDGXQRSQRXKIA-WAYWQWQTSA-N 2 1 335.536 3.093 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001165568248 1383311533 /nfs/dbraw/zinc/31/15/33/1383311533.db2.gz GMHXHFABNKYQOX-SFHVURJKSA-N 2 1 349.563 3.173 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)Cc1c(C)cccc1C ZINC001328779941 1388856296 /nfs/dbraw/zinc/85/62/96/1388856296.db2.gz JAQHDHOZFTYTDX-LJQANCHMSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1c(C)cccc1C ZINC001328779941 1388856302 /nfs/dbraw/zinc/85/63/02/1388856302.db2.gz JAQHDHOZFTYTDX-LJQANCHMSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1c(C)cccc1C ZINC001328779941 1388856306 /nfs/dbraw/zinc/85/63/06/1388856306.db2.gz JAQHDHOZFTYTDX-LJQANCHMSA-N 2 1 345.531 3.068 20 0 EGADMP C[N@@H+](CC(=O)NCCC[NH2+]Cc1ccccc1C1CC1)CC(C)(C)C ZINC001166744356 1383469896 /nfs/dbraw/zinc/46/98/96/1383469896.db2.gz SDNVKSYEKYELLI-UHFFFAOYSA-N 2 1 345.531 3.138 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCCC2(C[NH2+]CCC3CCCC3)CC2)CC[N@H+]1C ZINC001166843875 1383486228 /nfs/dbraw/zinc/48/62/28/1383486228.db2.gz ZXPQUIKKFQRNEI-HKUYNNGSSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167425059 1383630183 /nfs/dbraw/zinc/63/01/83/1383630183.db2.gz AAWXFPSRQDZEAI-RBUKOAKNSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[C@@]1(C)CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001167509427 1383654748 /nfs/dbraw/zinc/65/47/48/1383654748.db2.gz NCOYDBIFPVFUMG-CTNGQTDRSA-N 2 1 345.531 3.308 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001167588505 1383682313 /nfs/dbraw/zinc/68/23/13/1383682313.db2.gz RPHIJVIVUWZCHQ-UHFFFAOYSA-N 2 1 348.535 3.463 20 0 EGADMP CC(C)(C)C(=O)Nc1ccc(N)[nH+]c1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167624736 1383691528 /nfs/dbraw/zinc/69/15/28/1383691528.db2.gz AAQUIQXVRFVRHB-UHFFFAOYSA-N 2 1 347.507 3.133 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]C/C=C/c1ccccc1 ZINC001167626431 1383692627 /nfs/dbraw/zinc/69/26/27/1383692627.db2.gz AIXIWNXQLFXEJL-MEJUDOHFSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001167626656 1383692721 /nfs/dbraw/zinc/69/27/21/1383692721.db2.gz DSFOKFQFDDAZNI-LJQANCHMSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001167636344 1383694722 /nfs/dbraw/zinc/69/47/22/1383694722.db2.gz SRHZOERXWAAZDT-APWZRJJASA-N 2 1 349.494 3.246 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC(C)C)CC1 ZINC001167694589 1383713179 /nfs/dbraw/zinc/71/31/79/1383713179.db2.gz NMKGCZPGSARRFL-SFHVURJKSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCNc1ccccc1Cn1cc[nH+]c1N ZINC001167753095 1383730279 /nfs/dbraw/zinc/73/02/79/1383730279.db2.gz CKEZMZPSWYQPRO-INIZCTEOSA-N 2 1 327.476 3.190 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1 ZINC001167826705 1383750269 /nfs/dbraw/zinc/75/02/69/1383750269.db2.gz QJHAMRLIKQJZNG-BJLQDIEVSA-N 2 1 343.515 3.092 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)c1ccccc1N(C)C2=O ZINC001167828095 1383751040 /nfs/dbraw/zinc/75/10/40/1383751040.db2.gz WIOYYTDYOGBTAN-DYESRHJHSA-N 2 1 343.515 3.117 20 0 EGADMP CCOC(=O)C[C@@H]1CC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C[C@@H]1C ZINC001167834812 1383753123 /nfs/dbraw/zinc/75/31/23/1383753123.db2.gz MWFCVRIETCFJDB-BZSNNMDCSA-N 2 1 326.525 3.408 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC001167836368 1383755371 /nfs/dbraw/zinc/75/53/71/1383755371.db2.gz YPTHWQXAKVDKFM-RLLQIKCJSA-N 2 1 346.515 3.386 20 0 EGADMP COc1cccc([C@@H](CCO)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167964370 1383780013 /nfs/dbraw/zinc/78/00/13/1383780013.db2.gz PSKQGPOSEJNCIJ-SMLSOGCJSA-N 2 1 344.499 3.114 20 0 EGADMP COc1cccc([C@@H](CCO)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167964370 1383780016 /nfs/dbraw/zinc/78/00/16/1383780016.db2.gz PSKQGPOSEJNCIJ-SMLSOGCJSA-N 2 1 344.499 3.114 20 0 EGADMP CC(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167962058 1383780301 /nfs/dbraw/zinc/78/03/01/1383780301.db2.gz UDSVJZDZEBTCSS-IHWFROFDSA-N 2 1 327.472 3.140 20 0 EGADMP CC(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167962058 1383780305 /nfs/dbraw/zinc/78/03/05/1383780305.db2.gz UDSVJZDZEBTCSS-IHWFROFDSA-N 2 1 327.472 3.140 20 0 EGADMP COc1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167964501 1383780800 /nfs/dbraw/zinc/78/08/00/1383780800.db2.gz RINYLTLOCUOLBQ-AYHJJNSGSA-N 2 1 330.472 3.069 20 0 EGADMP c1ccc2c(c1)OC[C@@H](CC[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)O2 ZINC001167978641 1383785512 /nfs/dbraw/zinc/78/55/12/1383785512.db2.gz QBCUNTMKMAEMMQ-XVLXNVKGSA-N 2 1 342.483 3.212 20 0 EGADMP Cc1cccc(O[C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)n1 ZINC001168002446 1383792834 /nfs/dbraw/zinc/79/28/34/1383792834.db2.gz SOUYLTIOZQBDTB-JIRNRHONSA-N 2 1 341.499 3.249 20 0 EGADMP Cc1cccc(O[C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)n1 ZINC001168002446 1383792838 /nfs/dbraw/zinc/79/28/38/1383792838.db2.gz SOUYLTIOZQBDTB-JIRNRHONSA-N 2 1 341.499 3.249 20 0 EGADMP Cc1cccc(O[C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)n1 ZINC001168002446 1383792841 /nfs/dbraw/zinc/79/28/41/1383792841.db2.gz SOUYLTIOZQBDTB-JIRNRHONSA-N 2 1 341.499 3.249 20 0 EGADMP C[C@@H]1CC([NH2+]CC2CC[NH+](C)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168009317 1383796336 /nfs/dbraw/zinc/79/63/36/1383796336.db2.gz ZXSNSMRYLMQOMN-QZTJIDSGSA-N 2 1 329.532 3.359 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168023896 1383799672 /nfs/dbraw/zinc/79/96/72/1383799672.db2.gz YWWALAGSJGRYET-QQXMDYFESA-N 2 1 344.499 3.359 20 0 EGADMP Cc1nc(CC[N@@H+](C)C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)no1 ZINC001168046967 1383803857 /nfs/dbraw/zinc/80/38/57/1383803857.db2.gz PSPIQKWRPNSCAM-HZPDHXFCSA-N 2 1 342.487 3.294 20 0 EGADMP Cc1nc(CC[N@H+](C)C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)no1 ZINC001168046967 1383803864 /nfs/dbraw/zinc/80/38/64/1383803864.db2.gz PSPIQKWRPNSCAM-HZPDHXFCSA-N 2 1 342.487 3.294 20 0 EGADMP CCOC(=O)[C@H]1CC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168056806 1383805740 /nfs/dbraw/zinc/80/57/40/1383805740.db2.gz IRRRZGSTSZRXQI-LMMKCTJWSA-N 2 1 344.499 3.313 20 0 EGADMP CC1(Nc2cc(NC(=O)Nc3ccccc3)cc[nH+]2)CC[NH2+]CC1 ZINC001168181922 1383836783 /nfs/dbraw/zinc/83/67/83/1383836783.db2.gz FYISKOOCPNIJSR-UHFFFAOYSA-N 2 1 325.416 3.280 20 0 EGADMP COc1ccc2c(c1)C[C@H](N(c1cccc(C)[nH+]1)C1CC[NH2+]CC1)C2 ZINC001168290723 1383864608 /nfs/dbraw/zinc/86/46/08/1383864608.db2.gz BTBYIMXNWAAXJO-LJQANCHMSA-N 2 1 337.467 3.124 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001168315543 1383871800 /nfs/dbraw/zinc/87/18/00/1383871800.db2.gz YGBMLCHQIZLJSY-KLAILNCOSA-N 2 1 339.524 3.238 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001168335627 1383875942 /nfs/dbraw/zinc/87/59/42/1383875942.db2.gz NFEOPEJCXPVEQR-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001168335914 1383876715 /nfs/dbraw/zinc/87/67/15/1383876715.db2.gz ZLLQRQGNWWZOEP-RURPWVQCSA-N 2 1 349.563 3.483 20 0 EGADMP CC(C)=CC[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168344916 1383879545 /nfs/dbraw/zinc/87/95/45/1383879545.db2.gz DVWBRXKDQSFZRS-IBGZPJMESA-N 2 1 343.515 3.132 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC001168371612 1383887329 /nfs/dbraw/zinc/88/73/29/1383887329.db2.gz PJQZJHNNIBIXKL-XMSQKQJNSA-N 2 1 341.543 3.361 20 0 EGADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCO[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001168662980 1383962218 /nfs/dbraw/zinc/96/22/18/1383962218.db2.gz QVDXVFSXQDMSGT-ICSRJNTNSA-N 2 1 332.488 3.331 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCO[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001168662980 1383962222 /nfs/dbraw/zinc/96/22/22/1383962222.db2.gz QVDXVFSXQDMSGT-ICSRJNTNSA-N 2 1 332.488 3.331 20 0 EGADMP COC(=O)C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)CC(C)C ZINC001307570398 1384004376 /nfs/dbraw/zinc/00/43/76/1384004376.db2.gz IMXVIZRTJOOYPO-UHFFFAOYSA-N 2 1 332.488 3.304 20 0 EGADMP COC(=O)C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)CC(C)C ZINC001307570398 1384004380 /nfs/dbraw/zinc/00/43/80/1384004380.db2.gz IMXVIZRTJOOYPO-UHFFFAOYSA-N 2 1 332.488 3.304 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cnc3ccc(C[NH3+])cc32)nc1 ZINC001168842574 1384031521 /nfs/dbraw/zinc/03/15/21/1384031521.db2.gz XSBYAOKGUXCKTG-OAHLLOKOSA-N 2 1 335.455 3.254 20 0 EGADMP CCN(CCc1ccc(C(F)(F)F)cc1)C[C@H](O)C[N@@H+](C)C(C)C ZINC001307862488 1384045374 /nfs/dbraw/zinc/04/53/74/1384045374.db2.gz AIRYBXGKJMJZAL-QGZVFWFLSA-N 2 1 346.437 3.271 20 0 EGADMP CC[N@H+](CCc1ccc(C(F)(F)F)cc1)C[C@H](O)C[NH+](C)C(C)C ZINC001307862488 1384045376 /nfs/dbraw/zinc/04/53/76/1384045376.db2.gz AIRYBXGKJMJZAL-QGZVFWFLSA-N 2 1 346.437 3.271 20 0 EGADMP CC[NH+](CCc1ccc(C(F)(F)F)cc1)C[C@H](O)C[N@@H+](C)C(C)C ZINC001307862488 1384045388 /nfs/dbraw/zinc/04/53/88/1384045388.db2.gz AIRYBXGKJMJZAL-QGZVFWFLSA-N 2 1 346.437 3.271 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc(OC(=O)C(C)(C)C)cc1)C2 ZINC001169081736 1384103817 /nfs/dbraw/zinc/10/38/17/1384103817.db2.gz VORAEONOLUUBLE-NNZMDNLPSA-N 2 1 344.499 3.395 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3cccc(F)c3)CC1)C2 ZINC001169095379 1384105950 /nfs/dbraw/zinc/10/59/50/1384105950.db2.gz QNBRYUXORBRFIK-ACDBMABISA-N 2 1 331.479 3.005 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(c3ccccc3F)CCOCC1)C2 ZINC001169096826 1384106309 /nfs/dbraw/zinc/10/63/09/1384106309.db2.gz YVFKTUJELBSGQK-OSYLJGHBSA-N 2 1 332.463 3.089 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3cc(Cl)ccc3nc1CCC[NH3+])C2 ZINC001169098930 1384106692 /nfs/dbraw/zinc/10/66/92/1384106692.db2.gz MMUXJOGUIWCHIW-QDMKHBRRSA-N 2 1 332.879 3.379 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(N3CCCCCC3=O)cc1)C2 ZINC001169116955 1384109213 /nfs/dbraw/zinc/10/92/13/1384109213.db2.gz UWICCQPZDLRGJW-FNLKRUPLSA-N 2 1 341.499 3.308 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129863 1384111030 /nfs/dbraw/zinc/11/10/30/1384111030.db2.gz LDAJMWWWSMYRGW-AXVVYFOYSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129863 1384111033 /nfs/dbraw/zinc/11/10/33/1384111033.db2.gz LDAJMWWWSMYRGW-AXVVYFOYSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129863 1384111035 /nfs/dbraw/zinc/11/10/35/1384111035.db2.gz LDAJMWWWSMYRGW-AXVVYFOYSA-N 2 1 349.519 3.087 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129866 1384111199 /nfs/dbraw/zinc/11/11/99/1384111199.db2.gz LDAJMWWWSMYRGW-XLSPSMHOSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129866 1384111200 /nfs/dbraw/zinc/11/12/00/1384111200.db2.gz LDAJMWWWSMYRGW-XLSPSMHOSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129866 1384111202 /nfs/dbraw/zinc/11/12/02/1384111202.db2.gz LDAJMWWWSMYRGW-XLSPSMHOSA-N 2 1 349.519 3.087 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001308293339 1384117065 /nfs/dbraw/zinc/11/70/65/1384117065.db2.gz SNTCVXZRIRWEIN-HZPDHXFCSA-N 2 1 336.549 3.404 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccsc1 ZINC001308440246 1384125934 /nfs/dbraw/zinc/12/59/34/1384125934.db2.gz RHQDJDSKNBAYBM-RTBURBONSA-N 2 1 330.497 3.375 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccsc1 ZINC001308440246 1384125935 /nfs/dbraw/zinc/12/59/35/1384125935.db2.gz RHQDJDSKNBAYBM-RTBURBONSA-N 2 1 330.497 3.375 20 0 EGADMP CC[NH+]1CCC([N@H+](C)[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001169261680 1384128713 /nfs/dbraw/zinc/12/87/13/1384128713.db2.gz LPTRSPGKYWXXKY-LJQANCHMSA-N 2 1 339.524 3.192 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001169261680 1384128715 /nfs/dbraw/zinc/12/87/15/1384128715.db2.gz LPTRSPGKYWXXKY-LJQANCHMSA-N 2 1 339.524 3.192 20 0 EGADMP CC[NH+]1CCC(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001169261841 1384129001 /nfs/dbraw/zinc/12/90/01/1384129001.db2.gz OGOOSLGZALCCJK-YVNJGZBMSA-N 2 1 343.559 3.366 20 0 EGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001308793035 1384149947 /nfs/dbraw/zinc/14/99/47/1384149947.db2.gz PTKXZLWSQVWODF-PMPSAXMXSA-N 2 1 341.540 3.388 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001308793035 1384149954 /nfs/dbraw/zinc/14/99/54/1384149954.db2.gz PTKXZLWSQVWODF-PMPSAXMXSA-N 2 1 341.540 3.388 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001169483536 1384153273 /nfs/dbraw/zinc/15/32/73/1384153273.db2.gz DRSVMGNTTAZOGC-UYAOXDASSA-N 2 1 345.531 3.087 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001169483536 1384153274 /nfs/dbraw/zinc/15/32/74/1384153274.db2.gz DRSVMGNTTAZOGC-UYAOXDASSA-N 2 1 345.531 3.087 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001169483536 1384153275 /nfs/dbraw/zinc/15/32/75/1384153275.db2.gz DRSVMGNTTAZOGC-UYAOXDASSA-N 2 1 345.531 3.087 20 0 EGADMP CCc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001169798645 1384187212 /nfs/dbraw/zinc/18/72/12/1384187212.db2.gz PIZLMXLHTJRREN-PXNSSMCTSA-N 2 1 345.531 3.108 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001170223014 1384268859 /nfs/dbraw/zinc/26/88/59/1384268859.db2.gz RFDRESONYGSANC-UHFFFAOYSA-N 2 1 339.568 3.277 20 0 EGADMP CCOC(=O)CC1([NH3+])CC[NH+]([C@H](C)Cc2ccccc2Cl)CC1 ZINC001170267027 1384279073 /nfs/dbraw/zinc/27/90/73/1384279073.db2.gz SQVVEWJBZMBILM-CQSZACIVSA-N 2 1 338.879 3.018 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2cnc4c(c2)C[NH2+]CC4)C3)cc1 ZINC001170333714 1384293407 /nfs/dbraw/zinc/29/34/07/1384293407.db2.gz UEKMWBJLOADQRA-ZKTXZKFHSA-N 2 1 348.494 3.335 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170527520 1384335444 /nfs/dbraw/zinc/33/54/44/1384335444.db2.gz ZFIPVTHYTPUUAO-MKXGPGLRSA-N 2 1 330.472 3.100 20 0 EGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001170750498 1384378167 /nfs/dbraw/zinc/37/81/67/1384378167.db2.gz KWANUXQDPZLBTK-MSOLQXFVSA-N 2 1 325.541 3.314 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH2+]CCCC(C)C)c1ccccc1 ZINC001170867430 1384401207 /nfs/dbraw/zinc/40/12/07/1384401207.db2.gz ILAGLIMKNXXBMH-IBGZPJMESA-N 2 1 333.520 3.212 20 0 EGADMP [NH3+]CCCc1[nH+]ccn1[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170866994 1384401287 /nfs/dbraw/zinc/40/12/87/1384401287.db2.gz DPAYUXAVOUMERK-OAHLLOKOSA-N 2 1 334.261 3.267 20 0 EGADMP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCc4ccc(Br)cc4C3)C2)C1 ZINC001170886275 1384405426 /nfs/dbraw/zinc/40/54/26/1384405426.db2.gz QIBBUNXUYABIMF-MSOLQXFVSA-N 2 1 349.316 3.334 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCc4ccc(Br)cc4C3)C2)C1 ZINC001170886275 1384405427 /nfs/dbraw/zinc/40/54/27/1384405427.db2.gz QIBBUNXUYABIMF-MSOLQXFVSA-N 2 1 349.316 3.334 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCc4ccc(Br)cc4C3)C2)C1 ZINC001170886275 1384405429 /nfs/dbraw/zinc/40/54/29/1384405429.db2.gz QIBBUNXUYABIMF-MSOLQXFVSA-N 2 1 349.316 3.334 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCc4ccc(Br)cc4C3)C2)C1 ZINC001170886275 1384405430 /nfs/dbraw/zinc/40/54/30/1384405430.db2.gz QIBBUNXUYABIMF-MSOLQXFVSA-N 2 1 349.316 3.334 20 0 EGADMP CC[NH+](CC)Cc1c(Br)cccc1NCC[C@@H](C)[NH3+] ZINC001170895850 1384407265 /nfs/dbraw/zinc/40/72/65/1384407265.db2.gz ZWVACECZMOTQNY-GFCCVEGCSA-N 2 1 328.298 3.440 20 0 EGADMP C[N@@H+](C1CCC([NH3+])CC1)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171242056 1384477277 /nfs/dbraw/zinc/47/72/77/1384477277.db2.gz FEOFUVAGSWZIPH-PFNPZRIDSA-N 2 1 341.499 3.024 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171253839 1384479203 /nfs/dbraw/zinc/47/92/03/1384479203.db2.gz MLBIJFOWQMTTOZ-KRWDZBQOSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171253973 1384479240 /nfs/dbraw/zinc/47/92/40/1384479240.db2.gz OGWVYQHIJQKIIZ-KRWDZBQOSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171328426 1384495573 /nfs/dbraw/zinc/49/55/73/1384495573.db2.gz JEZFHPFBCYVCRN-ROUUACIJSA-N 2 1 343.531 3.265 20 0 EGADMP C[C@H](CCCC[NH2+]CCCCCF)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171328424 1384495792 /nfs/dbraw/zinc/49/57/92/1384495792.db2.gz JEZFHPFBCYVCRN-MSOLQXFVSA-N 2 1 343.531 3.265 20 0 EGADMP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171331255 1384496177 /nfs/dbraw/zinc/49/61/77/1384496177.db2.gz XSUYPOIVSHZSRM-WLMAVBAVSA-N 2 1 337.552 3.482 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171331258 1384496220 /nfs/dbraw/zinc/49/62/20/1384496220.db2.gz XUSCIVRYVVBJPQ-QZTJIDSGSA-N 2 1 325.541 3.172 20 0 EGADMP C[C@@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171537816 1384556445 /nfs/dbraw/zinc/55/64/45/1384556445.db2.gz HYZASGXKZRFPAG-LPHOPBHVSA-N 2 1 349.494 3.075 20 0 EGADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171542787 1384558316 /nfs/dbraw/zinc/55/83/16/1384558316.db2.gz YHDAXGMPKLARKK-AWEZNQCLSA-N 2 1 326.406 3.377 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171542787 1384558317 /nfs/dbraw/zinc/55/83/17/1384558317.db2.gz YHDAXGMPKLARKK-AWEZNQCLSA-N 2 1 326.406 3.377 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CCc1ccccc1 ZINC001171586593 1384572414 /nfs/dbraw/zinc/57/24/14/1384572414.db2.gz QFZGHYODFLMVTP-SFHVURJKSA-N 2 1 347.547 3.224 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CCCCCF ZINC001171587130 1384573167 /nfs/dbraw/zinc/57/31/67/1384573167.db2.gz YAIDUMSGWIZISI-MRXNPFEDSA-N 2 1 331.520 3.121 20 0 EGADMP COC(=O)c1ccc2c(c1)CC[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171630753 1384586078 /nfs/dbraw/zinc/58/60/78/1384586078.db2.gz AXGIQZAFEGSAGR-UHFFFAOYSA-N 2 1 344.499 3.483 20 0 EGADMP CC[C@H]1[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CCC[C@]12CCC(=O)N2 ZINC001171637750 1384587484 /nfs/dbraw/zinc/58/74/84/1384587484.db2.gz OHCTUCXHPPYOIU-UZLBHIALSA-N 2 1 335.536 3.161 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@]3(C2)c2ccccc2NC3=O)CC1(C)C ZINC001171638660 1384588164 /nfs/dbraw/zinc/58/81/64/1384588164.db2.gz YTDLHHXBWQSABZ-NRFANRHFSA-N 2 1 341.499 3.234 20 0 EGADMP C[NH+]1C(C)(C)CC([N@@H+]2CCCN(C(=O)c3ccco3)CC2)CC1(C)C ZINC001171639595 1384588645 /nfs/dbraw/zinc/58/86/45/1384588645.db2.gz PYWYKXRMAISWFX-UHFFFAOYSA-N 2 1 347.503 3.079 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CCCN(C(=O)c3ccco3)CC2)CC1(C)C ZINC001171639595 1384588650 /nfs/dbraw/zinc/58/86/50/1384588650.db2.gz PYWYKXRMAISWFX-UHFFFAOYSA-N 2 1 347.503 3.079 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001171645828 1384591141 /nfs/dbraw/zinc/59/11/41/1384591141.db2.gz CKJQMPIRWIYDRZ-RTBURBONSA-N 2 1 337.552 3.338 20 0 EGADMP C[C@@H]1C[C@@H](n2cc(CC[NH3+])c3c[nH+]ccc32)C[N@H+]1Cc1ccccc1 ZINC001171732730 1384617744 /nfs/dbraw/zinc/61/77/44/1384617744.db2.gz DHZGCIVBMDHYFB-VQIMIIECSA-N 3 1 334.467 3.373 20 0 EGADMP C[C@@H]1C[C@@H](n2cc(CC[NH3+])c3cnccc32)C[N@@H+]1Cc1ccccc1 ZINC001171732730 1384617752 /nfs/dbraw/zinc/61/77/52/1384617752.db2.gz DHZGCIVBMDHYFB-VQIMIIECSA-N 2 1 334.467 3.373 20 0 EGADMP C[C@@H]1C[C@@H](n2cc(CC[NH3+])c3cnccc32)C[N@H+]1Cc1ccccc1 ZINC001171732730 1384617756 /nfs/dbraw/zinc/61/77/56/1384617756.db2.gz DHZGCIVBMDHYFB-VQIMIIECSA-N 2 1 334.467 3.373 20 0 EGADMP C[C@@H]1C[C@H](N2CC3(C2)CC[NH+](CC2CC2)C3)C[N@H+]1Cc1ccccc1 ZINC001171747543 1384624328 /nfs/dbraw/zinc/62/43/28/1384624328.db2.gz BPJQLHVFCYYCAH-NQIIRXRSSA-N 2 1 339.527 3.067 20 0 EGADMP C[C@@H]1C[C@H](N2CC3(C2)CC[N@H+](CC2CC2)C3)C[NH+]1Cc1ccccc1 ZINC001171747543 1384624333 /nfs/dbraw/zinc/62/43/33/1384624333.db2.gz BPJQLHVFCYYCAH-NQIIRXRSSA-N 2 1 339.527 3.067 20 0 EGADMP C[C@@H]1C[C@H](N2CC3(C2)CC[N@@H+](CC2CC2)C3)C[NH+]1Cc1ccccc1 ZINC001171747543 1384624337 /nfs/dbraw/zinc/62/43/37/1384624337.db2.gz BPJQLHVFCYYCAH-NQIIRXRSSA-N 2 1 339.527 3.067 20 0 EGADMP C[C@@H]1C[C@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)CN1Cc1ccccc1 ZINC001171759033 1384626574 /nfs/dbraw/zinc/62/65/74/1384626574.db2.gz FTHFAFXTFZPLPT-QUCCMNQESA-N 2 1 327.516 3.067 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC001171763204 1384628377 /nfs/dbraw/zinc/62/83/77/1384628377.db2.gz VLQFTZQKGLQGLJ-KRWDZBQOSA-N 2 1 339.911 3.229 20 0 EGADMP C[C@H]1C[C@H](N2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[N@H+]1Cc1ccccc1 ZINC001171769582 1384630102 /nfs/dbraw/zinc/63/01/02/1384630102.db2.gz UOEPNTSVOJUPLV-VMXMFDLUSA-N 2 1 345.506 3.158 20 0 EGADMP Cc1cccc(N([C@H]2Cc3cccc(F)c3C2)C2CC[NH2+]CC2)[nH+]1 ZINC001171808586 1384645072 /nfs/dbraw/zinc/64/50/72/1384645072.db2.gz AQHRPAQIIYUUPI-KRWDZBQOSA-N 2 1 325.431 3.255 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCCC[NH2+][C@H](C)c1ccccc1 ZINC001171821938 1384650972 /nfs/dbraw/zinc/65/09/72/1384650972.db2.gz QLKSLVWVTXIXNG-SJLPKXTDSA-N 2 1 342.487 3.217 20 0 EGADMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171846105 1384660257 /nfs/dbraw/zinc/66/02/57/1384660257.db2.gz RDKPGWQVMHDFQK-INIZCTEOSA-N 2 1 339.524 3.192 20 0 EGADMP CC1(C)C[C@@H]([NH2+]C2(C(N)=O)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171961813 1384696363 /nfs/dbraw/zinc/69/63/63/1384696363.db2.gz AQMGSZKFUDDZDJ-SFHVURJKSA-N 2 1 343.515 3.207 20 0 EGADMP CC1(C)C[C@@H]([NH2+]C2(C(N)=O)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171961813 1384696366 /nfs/dbraw/zinc/69/63/66/1384696366.db2.gz AQMGSZKFUDDZDJ-SFHVURJKSA-N 2 1 343.515 3.207 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001171965378 1384697545 /nfs/dbraw/zinc/69/75/45/1384697545.db2.gz QUMYFAIEAFENEV-CQSZACIVSA-N 2 1 344.421 3.337 20 0 EGADMP CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171966642 1384698115 /nfs/dbraw/zinc/69/81/15/1384698115.db2.gz LVDPZGLCLGVXCA-PKOBYXMFSA-N 2 1 345.531 3.276 20 0 EGADMP CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171966642 1384698121 /nfs/dbraw/zinc/69/81/21/1384698121.db2.gz LVDPZGLCLGVXCA-PKOBYXMFSA-N 2 1 345.531 3.276 20 0 EGADMP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975033 1384700367 /nfs/dbraw/zinc/70/03/67/1384700367.db2.gz KIRZXYRYRSZVOR-GOSISDBHSA-N 2 1 345.531 3.324 20 0 EGADMP CC[N@H+]1CCCN([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171975302 1384701050 /nfs/dbraw/zinc/70/10/50/1384701050.db2.gz BPTFQYKZCWWFSL-HXUWFJFHSA-N 2 1 329.532 3.457 20 0 EGADMP CC[NH+]1CCCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171975302 1384701052 /nfs/dbraw/zinc/70/10/52/1384701052.db2.gz BPTFQYKZCWWFSL-HXUWFJFHSA-N 2 1 329.532 3.457 20 0 EGADMP CC[NH+]1CCCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171975302 1384701054 /nfs/dbraw/zinc/70/10/54/1384701054.db2.gz BPTFQYKZCWWFSL-HXUWFJFHSA-N 2 1 329.532 3.457 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977919 1384701710 /nfs/dbraw/zinc/70/17/10/1384701710.db2.gz UWUCDDYLCXRHOF-RLLQIKCJSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977919 1384701717 /nfs/dbraw/zinc/70/17/17/1384701717.db2.gz UWUCDDYLCXRHOF-RLLQIKCJSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977919 1384701720 /nfs/dbraw/zinc/70/17/20/1384701720.db2.gz UWUCDDYLCXRHOF-RLLQIKCJSA-N 2 1 329.532 3.359 20 0 EGADMP COC(=O)[C@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977704 1384701757 /nfs/dbraw/zinc/70/17/57/1384701757.db2.gz UBWCGEMFHSZJPH-RBUKOAKNSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977704 1384701761 /nfs/dbraw/zinc/70/17/61/1384701761.db2.gz UBWCGEMFHSZJPH-RBUKOAKNSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977704 1384701765 /nfs/dbraw/zinc/70/17/65/1384701765.db2.gz UBWCGEMFHSZJPH-RBUKOAKNSA-N 2 1 344.499 3.315 20 0 EGADMP CC1(C)C[C@H]([NH2+]C[C@@H](O)c2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC001171983810 1384704539 /nfs/dbraw/zinc/70/45/39/1384704539.db2.gz QCGRHQOGRIOEJL-UYAOXDASSA-N 2 1 339.483 3.148 20 0 EGADMP CC1(C)C[C@H]([NH2+]C[C@@H](O)c2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC001171983810 1384704543 /nfs/dbraw/zinc/70/45/43/1384704543.db2.gz QCGRHQOGRIOEJL-UYAOXDASSA-N 2 1 339.483 3.148 20 0 EGADMP COC(=O)[C@@]1(C)CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171989899 1384706068 /nfs/dbraw/zinc/70/60/68/1384706068.db2.gz ITWIEILVLMHKQI-NQIIRXRSSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@@]1(C)CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171989899 1384706070 /nfs/dbraw/zinc/70/60/70/1384706070.db2.gz ITWIEILVLMHKQI-NQIIRXRSSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@@]1(C)CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171989899 1384706072 /nfs/dbraw/zinc/70/60/72/1384706072.db2.gz ITWIEILVLMHKQI-NQIIRXRSSA-N 2 1 344.499 3.315 20 0 EGADMP CC1(C)C[C@@H](N2CCc3[nH+]ccn3CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171987887 1384706888 /nfs/dbraw/zinc/70/68/88/1384706888.db2.gz LMJGKVOQPFPHAQ-IBGZPJMESA-N 2 1 338.499 3.184 20 0 EGADMP CC1(C)C[C@@H](N2CCc3[nH+]ccn3CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987887 1384706889 /nfs/dbraw/zinc/70/68/89/1384706889.db2.gz LMJGKVOQPFPHAQ-IBGZPJMESA-N 2 1 338.499 3.184 20 0 EGADMP CC[N@H+]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@H]1C ZINC001171990753 1384707729 /nfs/dbraw/zinc/70/77/29/1384707729.db2.gz NZGQNLDXYSNCBG-UYAOXDASSA-N 2 1 329.532 3.456 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@H]1C ZINC001171990753 1384707735 /nfs/dbraw/zinc/70/77/35/1384707735.db2.gz NZGQNLDXYSNCBG-UYAOXDASSA-N 2 1 329.532 3.456 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@H]1C ZINC001171990753 1384707740 /nfs/dbraw/zinc/70/77/40/1384707740.db2.gz NZGQNLDXYSNCBG-UYAOXDASSA-N 2 1 329.532 3.456 20 0 EGADMP CCN1CC[C@@H]([N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001172034335 1384712215 /nfs/dbraw/zinc/71/22/15/1384712215.db2.gz AOMUYQUVIAEDLU-VAMGGRTRSA-N 2 1 343.515 3.078 20 0 EGADMP CSCC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061673 1384715085 /nfs/dbraw/zinc/71/50/85/1384715085.db2.gz IJFBKUAJLMJWPM-LWYYNNOASA-N 2 1 348.556 3.276 20 0 EGADMP CCCC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(N)=O ZINC001172068303 1384715760 /nfs/dbraw/zinc/71/57/60/1384715760.db2.gz JTMDQBHRWCZAMT-HAGHYFMRSA-N 2 1 343.515 3.206 20 0 EGADMP CCCC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(N)=O ZINC001172068303 1384715763 /nfs/dbraw/zinc/71/57/63/1384715763.db2.gz JTMDQBHRWCZAMT-HAGHYFMRSA-N 2 1 343.515 3.206 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001316944938 1384717211 /nfs/dbraw/zinc/71/72/11/1384717211.db2.gz WFETUXXJFUZZRE-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001316944938 1384717218 /nfs/dbraw/zinc/71/72/18/1384717218.db2.gz WFETUXXJFUZZRE-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001316944938 1384717226 /nfs/dbraw/zinc/71/72/26/1384717226.db2.gz WFETUXXJFUZZRE-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@@H](O)C[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172068837 1384717605 /nfs/dbraw/zinc/71/76/05/1384717605.db2.gz LIDHUBVTBJBDKL-QNDFHXLGSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1CC[C@@H](O)C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172068837 1384717612 /nfs/dbraw/zinc/71/76/12/1384717612.db2.gz LIDHUBVTBJBDKL-QNDFHXLGSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1CC[C@@H](O)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068837 1384717614 /nfs/dbraw/zinc/71/76/14/1384717614.db2.gz LIDHUBVTBJBDKL-QNDFHXLGSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1CC[C@@H](O)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068837 1384717617 /nfs/dbraw/zinc/71/76/17/1384717617.db2.gz LIDHUBVTBJBDKL-QNDFHXLGSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@]1(CO)CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068723 1384718417 /nfs/dbraw/zinc/71/84/17/1384718417.db2.gz KAKDMTJQSFMOKD-WOZUAGRISA-N 2 1 328.500 3.276 20 0 EGADMP C[C@]1(CO)CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068723 1384718420 /nfs/dbraw/zinc/71/84/20/1384718420.db2.gz KAKDMTJQSFMOKD-WOZUAGRISA-N 2 1 328.500 3.276 20 0 EGADMP C[C@]1(CO)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068723 1384718424 /nfs/dbraw/zinc/71/84/24/1384718424.db2.gz KAKDMTJQSFMOKD-WOZUAGRISA-N 2 1 328.500 3.276 20 0 EGADMP C[C@]1(CO)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068723 1384718428 /nfs/dbraw/zinc/71/84/28/1384718428.db2.gz KAKDMTJQSFMOKD-WOZUAGRISA-N 2 1 328.500 3.276 20 0 EGADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@@]24CCOC4)C3)cc1 ZINC001172090988 1384724668 /nfs/dbraw/zinc/72/46/68/1384724668.db2.gz ZGQOMFQMFFDJFB-BQJUDKOJSA-N 2 1 326.484 3.437 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@@]24CCOC4)C3)cc1 ZINC001172090988 1384724670 /nfs/dbraw/zinc/72/46/70/1384724670.db2.gz ZGQOMFQMFFDJFB-BQJUDKOJSA-N 2 1 326.484 3.437 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CC[C@@]24CCOC4)C3)cc1 ZINC001172090988 1384724673 /nfs/dbraw/zinc/72/46/73/1384724673.db2.gz ZGQOMFQMFFDJFB-BQJUDKOJSA-N 2 1 326.484 3.437 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CC[C@@]24CCOC4)C3)cc1 ZINC001172090988 1384724676 /nfs/dbraw/zinc/72/46/76/1384724676.db2.gz ZGQOMFQMFFDJFB-BQJUDKOJSA-N 2 1 326.484 3.437 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(c3ccccc3F)CCOCC1)C2 ZINC001172102905 1384726641 /nfs/dbraw/zinc/72/66/41/1384726641.db2.gz QNJRVJGWLHIYOU-NNZMDNLPSA-N 2 1 346.490 3.479 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCC(=O)OCc1ccccc1)C2 ZINC001172104895 1384727895 /nfs/dbraw/zinc/72/78/95/1384727895.db2.gz GPOHRWRHKBLBQP-LDLYASANSA-N 2 1 330.472 3.115 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCN(Cc3cccc(F)c3)C1)C2 ZINC001172109882 1384729752 /nfs/dbraw/zinc/72/97/52/1384729752.db2.gz GJZSCIKKYTUKSE-LWYYNNOASA-N 2 1 331.479 3.005 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCN(Cc3cccc(F)c3)C1)C2 ZINC001172109882 1384729756 /nfs/dbraw/zinc/72/97/56/1384729756.db2.gz GJZSCIKKYTUKSE-LWYYNNOASA-N 2 1 331.479 3.005 20 0 EGADMP CC(C)[C@@H](C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)NC(=O)OC(C)(C)C ZINC001172118491 1384733404 /nfs/dbraw/zinc/73/34/04/1384733404.db2.gz QXHFSNFEUQTGNY-YYIAUSFCSA-N 2 1 339.524 3.141 20 0 EGADMP CCC[NH2+][C@H]1CCc2c(sc(=N)n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172123599 1384734665 /nfs/dbraw/zinc/73/46/65/1384734665.db2.gz HCQSGJIHMPTVPL-CAOSSQGBSA-N 2 1 348.560 3.074 20 0 EGADMP COc1ccccc1[C@@H](O)C[N@@H+](C(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172128889 1384737392 /nfs/dbraw/zinc/73/73/92/1384737392.db2.gz VHPDVJZCLHFWBJ-XFKSJGNHSA-N 2 1 346.515 3.454 20 0 EGADMP COc1ccccc1[C@@H](O)C[N@H+](C(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128889 1384737395 /nfs/dbraw/zinc/73/73/95/1384737395.db2.gz VHPDVJZCLHFWBJ-XFKSJGNHSA-N 2 1 346.515 3.454 20 0 EGADMP COc1ccccc1[C@@H](O)C[N@@H+](C(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128889 1384737399 /nfs/dbraw/zinc/73/73/99/1384737399.db2.gz VHPDVJZCLHFWBJ-XFKSJGNHSA-N 2 1 346.515 3.454 20 0 EGADMP COc1ccccc1[C@@H](O)C[NH+](C(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128889 1384737402 /nfs/dbraw/zinc/73/74/02/1384737402.db2.gz VHPDVJZCLHFWBJ-XFKSJGNHSA-N 2 1 346.515 3.454 20 0 EGADMP COc1ccccc1[C@@H](O)C[NH+](C(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128889 1384737404 /nfs/dbraw/zinc/73/74/04/1384737404.db2.gz VHPDVJZCLHFWBJ-XFKSJGNHSA-N 2 1 346.515 3.454 20 0 EGADMP COc1ccccc1[C@@H](O)C[N@@H+](C(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172128887 1384737696 /nfs/dbraw/zinc/73/76/96/1384737696.db2.gz VHPDVJZCLHFWBJ-DMUMMCEESA-N 2 1 346.515 3.454 20 0 EGADMP COc1ccccc1[C@@H](O)C[N@H+](C(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128887 1384737697 /nfs/dbraw/zinc/73/76/97/1384737697.db2.gz VHPDVJZCLHFWBJ-DMUMMCEESA-N 2 1 346.515 3.454 20 0 EGADMP COc1ccccc1[C@@H](O)C[N@@H+](C(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128887 1384737700 /nfs/dbraw/zinc/73/77/00/1384737700.db2.gz VHPDVJZCLHFWBJ-DMUMMCEESA-N 2 1 346.515 3.454 20 0 EGADMP COc1ccccc1[C@@H](O)C[NH+](C(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128887 1384737705 /nfs/dbraw/zinc/73/77/05/1384737705.db2.gz VHPDVJZCLHFWBJ-DMUMMCEESA-N 2 1 346.515 3.454 20 0 EGADMP COc1ccccc1[C@@H](O)C[NH+](C(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128887 1384737707 /nfs/dbraw/zinc/73/77/07/1384737707.db2.gz VHPDVJZCLHFWBJ-DMUMMCEESA-N 2 1 346.515 3.454 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+][C@@H]2CSc3ccccc3C2)cc1 ZINC001172198862 1384746056 /nfs/dbraw/zinc/74/60/56/1384746056.db2.gz XUFJMNKRADXODB-CTAFRAEOSA-N 2 1 336.504 3.423 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+][C@@H]2CSc3ccccc3C2)cc1 ZINC001172198862 1384746058 /nfs/dbraw/zinc/74/60/58/1384746058.db2.gz XUFJMNKRADXODB-CTAFRAEOSA-N 2 1 336.504 3.423 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172234679 1384753755 /nfs/dbraw/zinc/75/37/55/1384753755.db2.gz JIULXVZYKBMBBA-RAFMOHDBSA-N 2 1 326.484 3.363 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172234679 1384753756 /nfs/dbraw/zinc/75/37/56/1384753756.db2.gz JIULXVZYKBMBBA-RAFMOHDBSA-N 2 1 326.484 3.363 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC001172255717 1384756807 /nfs/dbraw/zinc/75/68/07/1384756807.db2.gz LLSVLSCPHDRUKP-LJQANCHMSA-N 2 1 334.529 3.277 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC001172255717 1384756811 /nfs/dbraw/zinc/75/68/11/1384756811.db2.gz LLSVLSCPHDRUKP-LJQANCHMSA-N 2 1 334.529 3.277 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001317004690 1384764966 /nfs/dbraw/zinc/76/49/66/1384764966.db2.gz CGXIGLLEZGPANV-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H](C)OCC[C@H](C)[NH2+]C1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001172319492 1384768568 /nfs/dbraw/zinc/76/85/68/1384768568.db2.gz RHDQEDFFGOWVAR-RXDZZFBJSA-N 2 1 342.524 3.152 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+]C2(C[NH3+])CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C ZINC001172357181 1384776092 /nfs/dbraw/zinc/77/60/92/1384776092.db2.gz BDKSQKLGWGJCFW-OWCLPIDISA-N 2 1 339.524 3.129 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCN(C)CC2)C[C@H]1C ZINC001172357352 1384777340 /nfs/dbraw/zinc/77/73/40/1384777340.db2.gz CQQDEJPMVJZGAT-OPYAIIAOSA-N 2 1 329.532 3.348 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@H](C)[C@H](C)C1)C2 ZINC001172376437 1384779898 /nfs/dbraw/zinc/77/98/98/1384779898.db2.gz UHIZKGNUVRKQLQ-GBMAXXPESA-N 2 1 334.548 3.491 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CC[C@H](C)[C@H](C)C1)C2 ZINC001172376437 1384779899 /nfs/dbraw/zinc/77/98/99/1384779899.db2.gz UHIZKGNUVRKQLQ-GBMAXXPESA-N 2 1 334.548 3.491 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CC[C@H](C)[C@H](C)C1)C2 ZINC001172376437 1384779902 /nfs/dbraw/zinc/77/99/02/1384779902.db2.gz UHIZKGNUVRKQLQ-GBMAXXPESA-N 2 1 334.548 3.491 20 0 EGADMP CC[C@H](CC(C)C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001172400726 1384784742 /nfs/dbraw/zinc/78/47/42/1384784742.db2.gz VYNOKJCTIPOLPV-NJDAHSKKSA-N 2 1 345.531 3.429 20 0 EGADMP CC[C@H](CC(C)C)[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001172400726 1384784744 /nfs/dbraw/zinc/78/47/44/1384784744.db2.gz VYNOKJCTIPOLPV-NJDAHSKKSA-N 2 1 345.531 3.429 20 0 EGADMP CC[C@H](CC(C)C)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001172400726 1384784745 /nfs/dbraw/zinc/78/47/45/1384784745.db2.gz VYNOKJCTIPOLPV-NJDAHSKKSA-N 2 1 345.531 3.429 20 0 EGADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172601795 1384817383 /nfs/dbraw/zinc/81/73/83/1384817383.db2.gz GMRFOUHXQZNKLO-MUGJNUQGSA-N 2 1 344.499 3.490 20 0 EGADMP CC(C)OC(=O)CC[C@@H](C)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172754591 1384844266 /nfs/dbraw/zinc/84/42/66/1384844266.db2.gz XIOYQTOAPAHFJM-BHIYHBOVSA-N 2 1 347.503 3.274 20 0 EGADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)CC1 ZINC001172783618 1384851797 /nfs/dbraw/zinc/85/17/97/1384851797.db2.gz CAAMGRCADLMKCD-DLBZAZTESA-N 2 1 345.487 3.051 20 0 EGADMP C[NH+](C)CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCCC1 ZINC001317094603 1384856088 /nfs/dbraw/zinc/85/60/88/1384856088.db2.gz SGWQIAGUSIWRQV-YQQQUEKLSA-N 2 1 347.547 3.020 20 0 EGADMP COCCC1([NH3+])CC[NH+]([C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC001172860396 1384866551 /nfs/dbraw/zinc/86/65/51/1384866551.db2.gz DDNPFLAZXGMMLT-CYBMUJFWSA-N 2 1 328.859 3.240 20 0 EGADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001172952565 1384888531 /nfs/dbraw/zinc/88/85/31/1384888531.db2.gz GQPBODOBTBPTAP-SJORKVTESA-N 2 1 341.540 3.486 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](Oc3ncccc3C)C2)CC1 ZINC001173113684 1384917786 /nfs/dbraw/zinc/91/77/86/1384917786.db2.gz KJBNNUJUXBCXQJ-CTWPCTMYSA-N 2 1 331.504 3.496 20 0 EGADMP COc1cccc2c1C[C@H]([N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)CO2 ZINC001173162807 1384927553 /nfs/dbraw/zinc/92/75/53/1384927553.db2.gz ZANBEJCNXCDAJB-XIRDDKMYSA-N 2 1 330.472 3.123 20 0 EGADMP CC[N@H+]1CC[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC001173364111 1384964951 /nfs/dbraw/zinc/96/49/51/1384964951.db2.gz TYTKGMVGYNXVFQ-QFIPXVFZSA-N 2 1 349.522 3.488 20 0 EGADMP CCN1CC[C@H]([N@@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)C1 ZINC001173358804 1384964971 /nfs/dbraw/zinc/96/49/71/1384964971.db2.gz LIUWLUXCQHQIHJ-VKNHOLBOSA-N 2 1 327.516 3.209 20 0 EGADMP COC(=O)CCCC[C@@H](C)[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC001173452308 1384973481 /nfs/dbraw/zinc/97/34/81/1384973481.db2.gz IRRIKRRMUGMCFO-MRXNPFEDSA-N 2 1 333.476 3.070 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])C1 ZINC001173647342 1384995494 /nfs/dbraw/zinc/99/54/94/1384995494.db2.gz BIOQBGCYZGTCSU-BHIYHBOVSA-N 2 1 332.488 3.205 20 0 EGADMP C[NH+](C)CCOc1cc(F)ccc1Nc1cc[nH+]c2ccccc12 ZINC001174039718 1385048772 /nfs/dbraw/zinc/04/87/72/1385048772.db2.gz YUUOFQMHHMKELN-UHFFFAOYSA-N 2 1 325.387 3.480 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001317343511 1385094830 /nfs/dbraw/zinc/09/48/30/1385094830.db2.gz LYANSKGPHKPHBQ-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001174880779 1385164208 /nfs/dbraw/zinc/16/42/08/1385164208.db2.gz HJPRHYCAKZGETF-PKOBYXMFSA-N 2 1 337.552 3.458 20 0 EGADMP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174905683 1385168437 /nfs/dbraw/zinc/16/84/37/1385168437.db2.gz MDVXJOISGDARHX-SQNIBIBYSA-N 2 1 339.568 3.418 20 0 EGADMP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175256911 1385230663 /nfs/dbraw/zinc/23/06/63/1385230663.db2.gz QLKOOQUYCBAJEM-MSOLQXFVSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175256223 1385230889 /nfs/dbraw/zinc/23/08/89/1385230889.db2.gz JFFNWNCRFUEBFE-IAGOWNOFSA-N 2 1 349.494 3.075 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175256810 1385231007 /nfs/dbraw/zinc/23/10/07/1385231007.db2.gz PKLCSEORPUNUKC-QZTJIDSGSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175264672 1385234232 /nfs/dbraw/zinc/23/42/32/1385234232.db2.gz UJQJRNAWJUEENY-QFBILLFUSA-N 2 1 343.531 3.120 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC001335968308 1388979302 /nfs/dbraw/zinc/97/93/02/1388979302.db2.gz AYGQQHCOMTYOLN-SFHVURJKSA-N 2 1 349.478 3.007 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+][C@H](CC)c2ccccc2)C1 ZINC001317623137 1385358354 /nfs/dbraw/zinc/35/83/54/1385358354.db2.gz LCBPKZHXNAINCH-WOJBJXKFSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H]1CCC[C@H](C)C1 ZINC001317747415 1385435416 /nfs/dbraw/zinc/43/54/16/1385435416.db2.gz TWBWPVWGUVRTBI-LWYYNNOASA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H]1CCC[C@H](C)C1 ZINC001317747415 1385435418 /nfs/dbraw/zinc/43/54/18/1385435418.db2.gz TWBWPVWGUVRTBI-LWYYNNOASA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H]1CCC[C@H](C)C1 ZINC001317747415 1385435422 /nfs/dbraw/zinc/43/54/22/1385435422.db2.gz TWBWPVWGUVRTBI-LWYYNNOASA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001176024451 1385464420 /nfs/dbraw/zinc/46/44/20/1385464420.db2.gz OHKPOZOBUAUYKH-KRWDZBQOSA-N 2 1 327.557 3.419 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176164642 1385500039 /nfs/dbraw/zinc/50/00/39/1385500039.db2.gz CTXVNVQQFVJXPM-IEBWSBKVSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+][C@H]1CCc2ccccc21 ZINC001176286038 1385540108 /nfs/dbraw/zinc/54/01/08/1385540108.db2.gz SMFSYWIPPSZVSI-XLIONFOSSA-N 2 1 345.531 3.280 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001318061544 1385621286 /nfs/dbraw/zinc/62/12/86/1385621286.db2.gz XMDQSXZEYARXIH-MOPGFXCFSA-N 2 1 331.504 3.059 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001176753638 1385683762 /nfs/dbraw/zinc/68/37/62/1385683762.db2.gz JFFXKDSYMXHACR-MRXNPFEDSA-N 2 1 325.541 3.027 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001176754454 1385685127 /nfs/dbraw/zinc/68/51/27/1385685127.db2.gz VZZXCRKKCMLLTJ-HZPDHXFCSA-N 2 1 347.494 3.027 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001176754456 1385685226 /nfs/dbraw/zinc/68/52/26/1385685226.db2.gz VZZXCRKKCMLLTJ-JKSUJKDBSA-N 2 1 347.494 3.027 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001176992267 1385765362 /nfs/dbraw/zinc/76/53/62/1385765362.db2.gz KYTJXAYEUCFJFO-HXUWFJFHSA-N 2 1 343.515 3.034 20 0 EGADMP CC[C@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001177267632 1385890634 /nfs/dbraw/zinc/89/06/34/1385890634.db2.gz UQIVSIQOWASGCN-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC001177319164 1385912000 /nfs/dbraw/zinc/91/20/00/1385912000.db2.gz ZWRPBIUPACYTCK-HNNXBMFYSA-N 2 1 332.879 3.266 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC001177319164 1385912007 /nfs/dbraw/zinc/91/20/07/1385912007.db2.gz ZWRPBIUPACYTCK-HNNXBMFYSA-N 2 1 332.879 3.266 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@@H+](C)CCC ZINC001177466990 1385967561 /nfs/dbraw/zinc/96/75/61/1385967561.db2.gz OWUDRFGZBBYQBN-UHFFFAOYSA-N 2 1 325.541 3.127 20 0 EGADMP CC/C=C\CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001177477843 1385972068 /nfs/dbraw/zinc/97/20/68/1385972068.db2.gz NGVUXMXRENKSQS-FBQMEGEOSA-N 2 1 349.563 3.293 20 0 EGADMP C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC001178045749 1386115771 /nfs/dbraw/zinc/11/57/71/1386115771.db2.gz UMUICFJDSGYQTJ-QFBILLFUSA-N 2 1 349.494 3.247 20 0 EGADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cc(F)ccc1F ZINC001178291039 1386180965 /nfs/dbraw/zinc/18/09/65/1386180965.db2.gz QXEFSMXORYHKOA-LJQANCHMSA-N 2 1 346.421 3.211 20 0 EGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc(F)ccc1F ZINC001178291039 1386180969 /nfs/dbraw/zinc/18/09/69/1386180969.db2.gz QXEFSMXORYHKOA-LJQANCHMSA-N 2 1 346.421 3.211 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc3ncccc3c2)C1 ZINC001178463365 1386224628 /nfs/dbraw/zinc/22/46/28/1386224628.db2.gz ODQFCAMDSHTHPD-OAQYLSRUSA-N 2 1 347.462 3.091 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178484343 1386231948 /nfs/dbraw/zinc/23/19/48/1386231948.db2.gz SVAFCHGNPISVTG-MOPGFXCFSA-N 2 1 337.552 3.317 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]Cc2ccccc2)CC[N@H+]1C ZINC001178527961 1386241574 /nfs/dbraw/zinc/24/15/74/1386241574.db2.gz RFEQLCRQMDPEHO-VQTJNVASSA-N 2 1 345.531 3.183 20 0 EGADMP CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001178693245 1386280059 /nfs/dbraw/zinc/28/00/59/1386280059.db2.gz MNQAXUYUJPFJKX-LJQANCHMSA-N 2 1 337.552 3.460 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178925852 1386351053 /nfs/dbraw/zinc/35/10/53/1386351053.db2.gz KYEAHLTYVHLEAA-PMEOWRCESA-N 2 1 335.536 3.186 20 0 EGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001179550186 1386511857 /nfs/dbraw/zinc/51/18/57/1386511857.db2.gz QVSXEDRPZTUAOT-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001179550554 1386511978 /nfs/dbraw/zinc/51/19/78/1386511978.db2.gz ZSBULAULDLQIBI-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+](C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCCC(C)(C)C)C2)CCC1 ZINC001320103439 1386515192 /nfs/dbraw/zinc/51/51/92/1386515192.db2.gz KMVURBYXAJEFBR-ZWKOTPCHSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCCCCC[NH2+]Cc1ccccc1F ZINC001179580800 1386522105 /nfs/dbraw/zinc/52/21/05/1386522105.db2.gz QNVFWSONGKOBMZ-QGZVFWFLSA-N 2 1 349.494 3.076 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCCCCCC[NH2+]CC2=CCCCC2)C1 ZINC001179585087 1386523369 /nfs/dbraw/zinc/52/33/69/1386523369.db2.gz CFJGHYYUWXWJAS-GOSISDBHSA-N 2 1 335.536 3.095 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001179746019 1386569945 /nfs/dbraw/zinc/56/99/45/1386569945.db2.gz LMWOBYZTDUEFSO-IBGZPJMESA-N 2 1 337.552 3.482 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179788042 1386585500 /nfs/dbraw/zinc/58/55/00/1386585500.db2.gz KQKATWXMUAPMMS-OALUTQOASA-N 2 1 335.536 3.070 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)CCCn1cc[nH+]c1C ZINC001179823783 1386596787 /nfs/dbraw/zinc/59/67/87/1386596787.db2.gz BFBBBVCKSVFOQM-QGZVFWFLSA-N 2 1 336.524 3.284 20 0 EGADMP CC[C@H]([NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C)c1ccc(F)cc1 ZINC001179852580 1386607628 /nfs/dbraw/zinc/60/76/28/1386607628.db2.gz WJYYJHXUNCXDLE-SNRMKQJTSA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C)c1ccc(F)cc1 ZINC001179852579 1386607664 /nfs/dbraw/zinc/60/76/64/1386607664.db2.gz WJYYJHXUNCXDLE-IPELMVKDSA-N 2 1 349.494 3.198 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)[C@@H]1C ZINC001179983357 1386657997 /nfs/dbraw/zinc/65/79/97/1386657997.db2.gz XQRRNLCJFKQSFD-BXWFABGCSA-N 2 1 349.494 3.198 20 0 EGADMP CCc1cccc(C[NH2+]CCCCCCNC(=O)CC[N@H+](C)CC)c1 ZINC001179992372 1386662492 /nfs/dbraw/zinc/66/24/92/1386662492.db2.gz WMVBXWZTEDGOJK-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP Cc1ccccc1C[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001180060598 1386683574 /nfs/dbraw/zinc/68/35/74/1386683574.db2.gz IWRHUBADDNMECH-LJQANCHMSA-N 2 1 345.531 3.103 20 0 EGADMP C[C@@H]([NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001180065722 1386685173 /nfs/dbraw/zinc/68/51/73/1386685173.db2.gz ZUTFZEXVKSTYEA-MOPGFXCFSA-N 2 1 345.531 3.356 20 0 EGADMP CCC/C=C/CC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C ZINC001180274839 1386752442 /nfs/dbraw/zinc/75/24/42/1386752442.db2.gz YEKYYHYMFKLURW-AATRIKPKSA-N 2 1 334.508 3.204 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001180369399 1386775655 /nfs/dbraw/zinc/77/56/55/1386775655.db2.gz CWTKATJNOSCSPI-UHFFFAOYSA-N 2 1 325.541 3.029 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCCCCCC[NH2+]CCC1CC1)c1ccccc1 ZINC001180375584 1386778327 /nfs/dbraw/zinc/77/83/27/1386778327.db2.gz JYDXIXAJPIRJBP-FQEVSTJZSA-N 2 1 345.531 3.356 20 0 EGADMP CCCC[NH2+]CCCCCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001180451488 1386801009 /nfs/dbraw/zinc/80/10/09/1386801009.db2.gz CEQSULJSKCVTTG-UHFFFAOYSA-N 2 1 333.520 3.185 20 0 EGADMP CCCC[NH2+]CCCCCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001180451488 1386801014 /nfs/dbraw/zinc/80/10/14/1386801014.db2.gz CEQSULJSKCVTTG-UHFFFAOYSA-N 2 1 333.520 3.185 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC001180792547 1386875401 /nfs/dbraw/zinc/87/54/01/1386875401.db2.gz CBHBGCZBHVSJLV-CRAIPNDOSA-N 2 1 330.472 3.216 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001182473507 1387172101 /nfs/dbraw/zinc/17/21/01/1387172101.db2.gz SFESMYXKFCWQMA-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001182629875 1387198743 /nfs/dbraw/zinc/19/87/43/1387198743.db2.gz MWISGXSGYGJYAW-YCIUYBBHSA-N 2 1 349.563 3.149 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001182692615 1387207678 /nfs/dbraw/zinc/20/76/78/1387207678.db2.gz OQCZFOBYNZPOBB-IAGOWNOFSA-N 2 1 348.535 3.413 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001329321714 1389062149 /nfs/dbraw/zinc/06/21/49/1389062149.db2.gz SUJBCSQGUKNBKV-IEBWSBKVSA-N 2 1 345.531 3.224 20 0 EGADMP CC[C@H](C)C[NH+]1CC([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001330030886 1389288963 /nfs/dbraw/zinc/28/89/63/1389288963.db2.gz HKLCPFVHMDBCQD-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](C(C)C)C2)c1ccccc1 ZINC001330512396 1389437772 /nfs/dbraw/zinc/43/77/72/1389437772.db2.gz SZUPWZHFQCVMBI-LJQANCHMSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC2(C1)CCC[N@H+](C(C)C)C2)c1ccccc1 ZINC001330512396 1389437776 /nfs/dbraw/zinc/43/77/76/1389437776.db2.gz SZUPWZHFQCVMBI-LJQANCHMSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)cc(C)c1 ZINC001698749549 1406400373 /nfs/dbraw/zinc/40/03/73/1406400373.db2.gz WCSLRTPJUQXWSN-QUCCMNQESA-N 2 1 345.531 3.020 20 0 EGADMP CC[NH+](CC)Cc1ccc(-c2nc([C@@H]([NH3+])c3ccccc3)no2)o1 ZINC001332317759 1390084957 /nfs/dbraw/zinc/08/49/57/1390084957.db2.gz JDJRQAPQEDHICF-INIZCTEOSA-N 2 1 326.400 3.220 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001698764990 1406420511 /nfs/dbraw/zinc/42/05/11/1406420511.db2.gz GNLBJKWYTSZGFH-KRWDZBQOSA-N 2 1 348.535 3.319 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CCCC[C@H]1C(=O)OC ZINC001334200456 1390497214 /nfs/dbraw/zinc/49/72/14/1390497214.db2.gz FXIVJVMRULOYKB-IAGOWNOFSA-N 2 1 335.492 3.137 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CCCC[C@H]1C(=O)OC ZINC001334200456 1390497216 /nfs/dbraw/zinc/49/72/16/1390497216.db2.gz FXIVJVMRULOYKB-IAGOWNOFSA-N 2 1 335.492 3.137 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(Br)n2)C1 ZINC001334356628 1390524012 /nfs/dbraw/zinc/52/40/12/1390524012.db2.gz YIWFOYPXHKXZTB-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(Br)n2)C1 ZINC001334356628 1390524013 /nfs/dbraw/zinc/52/40/13/1390524013.db2.gz YIWFOYPXHKXZTB-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP [NH3+][C@H](CCC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC001342141774 1390577294 /nfs/dbraw/zinc/57/72/94/1390577294.db2.gz WJPPKMLVPJGOAE-GOSISDBHSA-N 2 1 338.455 3.491 20 0 EGADMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1OC ZINC001335134559 1390647466 /nfs/dbraw/zinc/64/74/66/1390647466.db2.gz TUEHNHSBLWGSJK-BZSNNMDCSA-N 2 1 332.488 3.256 20 0 EGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC001348852054 1391274914 /nfs/dbraw/zinc/27/49/14/1391274914.db2.gz JCHNNWJBWOVEOZ-RCBQFDQVSA-N 2 1 341.293 3.114 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@H](NC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001479905020 1392472375 /nfs/dbraw/zinc/47/23/75/1392472375.db2.gz MTUMOVMYXRDDRF-HKUYNNGSSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCC[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001479905020 1392472377 /nfs/dbraw/zinc/47/23/77/1392472377.db2.gz MTUMOVMYXRDDRF-HKUYNNGSSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCC[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001479905020 1392472380 /nfs/dbraw/zinc/47/23/80/1392472380.db2.gz MTUMOVMYXRDDRF-HKUYNNGSSA-N 2 1 343.515 3.121 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH2+][C@H](CC)c2ccccc2)C1 ZINC001480304275 1392668257 /nfs/dbraw/zinc/66/82/57/1392668257.db2.gz WVWHEBZXOAPVJW-AZUAARDMSA-N 2 1 345.531 3.308 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001480709976 1392871833 /nfs/dbraw/zinc/87/18/33/1392871833.db2.gz UGOPXRFUDHPZJP-MOPGFXCFSA-N 2 1 349.494 3.015 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480735782 1392900827 /nfs/dbraw/zinc/90/08/27/1392900827.db2.gz YJXFMPFBWZYAKI-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)CC1CCCCC1 ZINC001480984976 1393067268 /nfs/dbraw/zinc/06/72/68/1393067268.db2.gz FJBLKKYRCJGVBC-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC1CCCCC1 ZINC001480984976 1393067272 /nfs/dbraw/zinc/06/72/72/1393067272.db2.gz FJBLKKYRCJGVBC-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)CC1CCCCC1 ZINC001480984976 1393067278 /nfs/dbraw/zinc/06/72/78/1393067278.db2.gz FJBLKKYRCJGVBC-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)[C@@H](C)c1ccccc1C ZINC001481018540 1393094168 /nfs/dbraw/zinc/09/41/68/1393094168.db2.gz BPOKQVUJOKHXKW-IBGZPJMESA-N 2 1 345.531 3.370 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001481070509 1393112556 /nfs/dbraw/zinc/11/25/56/1393112556.db2.gz JAFPQSCQORJFPP-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001481287825 1393158929 /nfs/dbraw/zinc/15/89/29/1393158929.db2.gz ORKVBVRYOZGMMM-LPHOPBHVSA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C)cc1C)[NH+](C)C ZINC001491220914 1394479185 /nfs/dbraw/zinc/47/91/85/1394479185.db2.gz IQWLJFQVFYAWTO-PMACEKPBSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2CCCC[C@H]2CNC(=O)CCC[NH+](C)C)c1 ZINC001491225655 1394482545 /nfs/dbraw/zinc/48/25/45/1394482545.db2.gz ZCEZSGDKUQAXMP-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CCCC[N@@H+]1CC1CC(C)C1 ZINC001491226744 1394483187 /nfs/dbraw/zinc/48/31/87/1394483187.db2.gz WQLAITBHHJDSCU-DAWZGUTISA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CCCC[N@H+]1CC1CC(C)C1 ZINC001491226744 1394483189 /nfs/dbraw/zinc/48/31/89/1394483189.db2.gz WQLAITBHHJDSCU-DAWZGUTISA-N 2 1 346.519 3.023 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C)c(C)c1)[NH+](C)C ZINC001491231036 1394486143 /nfs/dbraw/zinc/48/61/43/1394486143.db2.gz QSNQBGXDDJEZSJ-PMACEKPBSA-N 2 1 345.531 3.114 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1)C1CCC1 ZINC001482017057 1394673752 /nfs/dbraw/zinc/67/37/52/1394673752.db2.gz RTNWXVMRIURRKN-WGSAOQKQSA-N 2 1 349.563 3.458 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@@H](C)C1 ZINC001482433135 1394994007 /nfs/dbraw/zinc/99/40/07/1394994007.db2.gz JDESKHIKYMNGHO-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C)CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001483974880 1395170741 /nfs/dbraw/zinc/17/07/41/1395170741.db2.gz VCHGVRALVLWHJF-QGZVFWFLSA-N 2 1 331.504 3.060 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCCC2CCCC2)C1 ZINC001484151938 1395287854 /nfs/dbraw/zinc/28/78/54/1395287854.db2.gz HTBGLYVYNBOPGC-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CCCC2CCCC2)C1 ZINC001484151938 1395287858 /nfs/dbraw/zinc/28/78/58/1395287858.db2.gz HTBGLYVYNBOPGC-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CCCC2CCCC2)C1 ZINC001484151938 1395287862 /nfs/dbraw/zinc/28/78/62/1395287862.db2.gz HTBGLYVYNBOPGC-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001484171814 1395313035 /nfs/dbraw/zinc/31/30/35/1395313035.db2.gz APFVOPOIGIENQB-GHTZIAJQSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@]1(C)CCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001484171814 1395313041 /nfs/dbraw/zinc/31/30/41/1395313041.db2.gz APFVOPOIGIENQB-GHTZIAJQSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@]1(C)CCC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001484171814 1395313046 /nfs/dbraw/zinc/31/30/46/1395313046.db2.gz APFVOPOIGIENQB-GHTZIAJQSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001484389434 1395358089 /nfs/dbraw/zinc/35/80/89/1395358089.db2.gz IVMDWXGTRGAAMU-REPLKXPHSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH+](C)CC1CCCCC1 ZINC001484743624 1395499735 /nfs/dbraw/zinc/49/97/35/1395499735.db2.gz DTFNDSMKSXGXFI-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CCC[N@H+](C)CC1CCCCC1 ZINC001484743624 1395499738 /nfs/dbraw/zinc/49/97/38/1395499738.db2.gz DTFNDSMKSXGXFI-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)CC1CCCCC1 ZINC001484743624 1395499742 /nfs/dbraw/zinc/49/97/42/1395499742.db2.gz DTFNDSMKSXGXFI-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001484755648 1395506639 /nfs/dbraw/zinc/50/66/39/1395506639.db2.gz ZNGDEAYRFXNUQZ-ICSRJNTNSA-N 2 1 345.531 3.321 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001484755648 1395506643 /nfs/dbraw/zinc/50/66/43/1395506643.db2.gz ZNGDEAYRFXNUQZ-ICSRJNTNSA-N 2 1 345.531 3.321 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001484755648 1395506647 /nfs/dbraw/zinc/50/66/47/1395506647.db2.gz ZNGDEAYRFXNUQZ-ICSRJNTNSA-N 2 1 345.531 3.321 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001503645610 1396261133 /nfs/dbraw/zinc/26/11/33/1396261133.db2.gz JLJXBYSFECYKLC-AZUAARDMSA-N 2 1 345.531 3.162 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001503645613 1396261235 /nfs/dbraw/zinc/26/12/35/1396261235.db2.gz JLJXBYSFECYKLC-ICSRJNTNSA-N 2 1 345.531 3.162 20 0 EGADMP Cc1ccc(C[N@@H+](C)CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)cc1C ZINC001492442220 1396322457 /nfs/dbraw/zinc/32/24/57/1396322457.db2.gz UNLJEHKICKVVIF-HXUWFJFHSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1ccc(C[N@H+](C)CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)cc1C ZINC001492442220 1396322458 /nfs/dbraw/zinc/32/24/58/1396322458.db2.gz UNLJEHKICKVVIF-HXUWFJFHSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H](CC)c1ccccc1 ZINC001493280705 1396338996 /nfs/dbraw/zinc/33/89/96/1396338996.db2.gz OEDQLNRPTFDQDM-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@H](CC)c1ccccc1 ZINC001493280705 1396338997 /nfs/dbraw/zinc/33/89/97/1396338997.db2.gz OEDQLNRPTFDQDM-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@H](CC)c1ccccc1 ZINC001493280705 1396338998 /nfs/dbraw/zinc/33/89/98/1396338998.db2.gz OEDQLNRPTFDQDM-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)CCN(C)C(=O)CC2CC[NH+](C)CC2)c1 ZINC001496791850 1396727990 /nfs/dbraw/zinc/72/79/90/1396727990.db2.gz AVROZBAKDVGVMI-SFHVURJKSA-N 2 1 345.531 3.178 20 0 EGADMP C[C@@H](C[N@@H+](C)CC1CCCCC1)NC(=O)CCC[NH+]1CCCCC1 ZINC001498461606 1397011112 /nfs/dbraw/zinc/01/11/12/1397011112.db2.gz VBILLEZAMPHGRF-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CCCN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CC[NH+](CC)CC1 ZINC001690135250 1404331998 /nfs/dbraw/zinc/33/19/98/1404331998.db2.gz FQCBPBMHVZEDOT-UHFFFAOYSA-N 2 1 337.552 3.364 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001690388750 1404524606 /nfs/dbraw/zinc/52/46/06/1404524606.db2.gz PCDYNAXPIOTWQH-QUCCMNQESA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001690490810 1404604428 /nfs/dbraw/zinc/60/44/28/1404604428.db2.gz FKCDEFDFKAZCSM-OALUTQOASA-N 2 1 335.536 3.118 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001691898448 1405620642 /nfs/dbraw/zinc/62/06/42/1405620642.db2.gz PRWISWOPFXSYDP-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+](CC/C=C/c1ccccc1)CCNC(=O)c1cc2c[nH]ccc-2n1 ZINC001731775930 1427892915 /nfs/dbraw/zinc/89/29/15/1427892915.db2.gz LUJSEVVOHBVHPX-WEVVVXLNSA-N 2 1 348.450 3.328 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001698585238 1406200979 /nfs/dbraw/zinc/20/09/79/1406200979.db2.gz LQSZPJWHOJLDGI-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP C[N@@H+](CC(=O)NCC[C@@H]1CC[NH+](CC2CCCCCC2)C1)C1CCC1 ZINC001732049659 1428288258 /nfs/dbraw/zinc/28/82/58/1428288258.db2.gz SQORLFHNCVHWCU-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NCC[C@@H]1CC[N@H+](CC2CCCCCC2)C1)C1CCC1 ZINC001732049659 1428288261 /nfs/dbraw/zinc/28/82/61/1428288261.db2.gz SQORLFHNCVHWCU-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NCC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1)C1CCC1 ZINC001732049659 1428288262 /nfs/dbraw/zinc/28/82/62/1428288262.db2.gz SQORLFHNCVHWCU-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001732325452 1428534177 /nfs/dbraw/zinc/53/41/77/1428534177.db2.gz SBAOOUJMPVOQBK-UHFFFAOYSA-N 2 1 345.531 3.055 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001732359593 1428547690 /nfs/dbraw/zinc/54/76/90/1428547690.db2.gz CPKQZYFUHOAKPV-AEFFLSMTSA-N 2 1 347.547 3.376 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001699473872 1412861069 /nfs/dbraw/zinc/86/10/69/1412861069.db2.gz DRKBSRHPUHJNRV-MOPGFXCFSA-N 2 1 345.531 3.369 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001699487910 1412884176 /nfs/dbraw/zinc/88/41/76/1412884176.db2.gz WGZBUNQVMAKXEW-OALUTQOASA-N 2 1 346.519 3.036 20 0 EGADMP CC(C)C[N@@H+](CCNC(=O)C1(C[NH+](C)C)CC1)C1CCCCCC1 ZINC001699683411 1413078320 /nfs/dbraw/zinc/07/83/20/1413078320.db2.gz KEYWGAFXRQDXAU-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2csc(C)c2)CCC1 ZINC001700132036 1413548595 /nfs/dbraw/zinc/54/85/95/1413548595.db2.gz MQJKSFXZVSGKPX-QGZVFWFLSA-N 2 1 349.544 3.059 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)CC1)C1CCC1 ZINC001700178942 1413589378 /nfs/dbraw/zinc/58/93/78/1413589378.db2.gz MDKJNHLHKPPJRA-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)CC1)C1CCC1 ZINC001700178942 1413589380 /nfs/dbraw/zinc/58/93/80/1413589380.db2.gz MDKJNHLHKPPJRA-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)CC1)C1CCC1 ZINC001700178942 1413589382 /nfs/dbraw/zinc/58/93/82/1413589382.db2.gz MDKJNHLHKPPJRA-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001700478491 1414110392 /nfs/dbraw/zinc/11/03/92/1414110392.db2.gz QBRWMYHIGPPUOF-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@@H+](C)CCC1CCCC1 ZINC001700479708 1414112951 /nfs/dbraw/zinc/11/29/51/1414112951.db2.gz BCWNNBYZOWDMMJ-QGZVFWFLSA-N 2 1 345.531 3.379 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)CCC[NH+]2CCCCC2)cc1 ZINC001700488749 1414138990 /nfs/dbraw/zinc/13/89/90/1414138990.db2.gz FOJNCJATQNKDPL-LJQANCHMSA-N 2 1 345.531 3.198 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001700802025 1414467265 /nfs/dbraw/zinc/46/72/65/1414467265.db2.gz SLXGGJBOXRIZGP-DLBZAZTESA-N 2 1 345.531 3.015 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CC2CCCCC2)CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001700841276 1414491205 /nfs/dbraw/zinc/49/12/05/1414491205.db2.gz LVQZHBSAYIHQAM-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1c(C)cccc1C ZINC001732632397 1428894190 /nfs/dbraw/zinc/89/41/90/1428894190.db2.gz XBBSGRGCHNRSEF-UYAOXDASSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)c1ccccc1C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001733014705 1429134653 /nfs/dbraw/zinc/13/46/53/1429134653.db2.gz ZLZTVYWRSSTCLE-KRWDZBQOSA-N 2 1 347.547 3.382 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC(N(C)C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001713052353 1417604375 /nfs/dbraw/zinc/60/43/75/1417604375.db2.gz CIABILGCSIWVLC-QGZVFWFLSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001713063290 1417621222 /nfs/dbraw/zinc/62/12/22/1417621222.db2.gz UNFXYEBLHNNOMA-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001713063290 1417621223 /nfs/dbraw/zinc/62/12/23/1417621223.db2.gz UNFXYEBLHNNOMA-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP Cc1cccc([C@H](C)[NH+](C)CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001713459833 1418114611 /nfs/dbraw/zinc/11/46/11/1418114611.db2.gz OPWIOVDKXSRFRA-AZUAARDMSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)c1 ZINC001713459833 1418114615 /nfs/dbraw/zinc/11/46/15/1418114615.db2.gz OPWIOVDKXSRFRA-AZUAARDMSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)c1 ZINC001713459833 1418114620 /nfs/dbraw/zinc/11/46/20/1418114620.db2.gz OPWIOVDKXSRFRA-AZUAARDMSA-N 2 1 345.531 3.224 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)[C@H](C)c1cccc(C)c1 ZINC001713497706 1418210224 /nfs/dbraw/zinc/21/02/24/1418210224.db2.gz WIXGILQWMQDKBE-QUCCMNQESA-N 2 1 345.531 3.369 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)[C@H](C)c1cccc(C)c1 ZINC001713497706 1418210226 /nfs/dbraw/zinc/21/02/26/1418210226.db2.gz WIXGILQWMQDKBE-QUCCMNQESA-N 2 1 345.531 3.369 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001713555810 1418348202 /nfs/dbraw/zinc/34/82/02/1418348202.db2.gz YOFGCJHTHLSQOB-KDOFPFPSSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001713555810 1418348212 /nfs/dbraw/zinc/34/82/12/1418348212.db2.gz YOFGCJHTHLSQOB-KDOFPFPSSA-N 2 1 349.906 3.076 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001713759284 1418565980 /nfs/dbraw/zinc/56/59/80/1418565980.db2.gz JUFDOVROXSXXON-MOPGFXCFSA-N 2 1 345.531 3.178 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001713759284 1418565983 /nfs/dbraw/zinc/56/59/83/1418565983.db2.gz JUFDOVROXSXXON-MOPGFXCFSA-N 2 1 345.531 3.178 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001713759284 1418565986 /nfs/dbraw/zinc/56/59/86/1418565986.db2.gz JUFDOVROXSXXON-MOPGFXCFSA-N 2 1 345.531 3.178 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001713801346 1418615926 /nfs/dbraw/zinc/61/59/26/1418615926.db2.gz PNSKNDQUHUABNZ-JTDSTZFVSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+]([C@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001713801346 1418615928 /nfs/dbraw/zinc/61/59/28/1418615928.db2.gz PNSKNDQUHUABNZ-JTDSTZFVSA-N 2 1 349.494 3.054 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001713973717 1418752832 /nfs/dbraw/zinc/75/28/32/1418752832.db2.gz QUOBAFLWBTWIHK-YQQQUEKLSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001713973717 1418752834 /nfs/dbraw/zinc/75/28/34/1418752834.db2.gz QUOBAFLWBTWIHK-YQQQUEKLSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001713973717 1418752836 /nfs/dbraw/zinc/75/28/36/1418752836.db2.gz QUOBAFLWBTWIHK-YQQQUEKLSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)[C@H](C)c1ccccc1 ZINC001714584162 1419325583 /nfs/dbraw/zinc/32/55/83/1419325583.db2.gz PRUKWOOLULNGTJ-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC)[C@H](C)c1ccccc1 ZINC001714584162 1419325586 /nfs/dbraw/zinc/32/55/86/1419325586.db2.gz PRUKWOOLULNGTJ-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC)[C@H](C)c1ccccc1 ZINC001714584162 1419325588 /nfs/dbraw/zinc/32/55/88/1419325588.db2.gz PRUKWOOLULNGTJ-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)CC1CCCCCC1 ZINC001714586572 1419328771 /nfs/dbraw/zinc/32/87/71/1419328771.db2.gz RNVNEZRPIXSBRX-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC1CCCCCC1 ZINC001714586572 1419328773 /nfs/dbraw/zinc/32/87/73/1419328773.db2.gz RNVNEZRPIXSBRX-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)CC1CCCCCC1 ZINC001714586572 1419328775 /nfs/dbraw/zinc/32/87/75/1419328775.db2.gz RNVNEZRPIXSBRX-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@H](C)c1ccccc1F ZINC001714619300 1419384244 /nfs/dbraw/zinc/38/42/44/1419384244.db2.gz OISVARZNTJQJIL-SJORKVTESA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)c1ccccc1F ZINC001714619300 1419384246 /nfs/dbraw/zinc/38/42/46/1419384246.db2.gz OISVARZNTJQJIL-SJORKVTESA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)c1ccccc1F ZINC001714619300 1419384248 /nfs/dbraw/zinc/38/42/48/1419384248.db2.gz OISVARZNTJQJIL-SJORKVTESA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H](CC)c1ccc(F)cc1 ZINC001714645401 1419419881 /nfs/dbraw/zinc/41/98/81/1419419881.db2.gz NMWIXRHXCIKKCW-RTBURBONSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@H](CC)c1ccc(F)cc1 ZINC001714645401 1419419888 /nfs/dbraw/zinc/41/98/88/1419419888.db2.gz NMWIXRHXCIKKCW-RTBURBONSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@H](CC)c1ccc(F)cc1 ZINC001714645401 1419419890 /nfs/dbraw/zinc/41/98/90/1419419890.db2.gz NMWIXRHXCIKKCW-RTBURBONSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001714812703 1419523884 /nfs/dbraw/zinc/52/38/84/1419523884.db2.gz DMPYHQQLPXDDLC-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001715205316 1419939395 /nfs/dbraw/zinc/93/93/95/1419939395.db2.gz NPEPMSSFRHWYFB-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001715521321 1420207659 /nfs/dbraw/zinc/20/76/59/1420207659.db2.gz PCXBTUYGINNDEL-AZUAARDMSA-N 2 1 345.531 3.319 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001715521321 1420207660 /nfs/dbraw/zinc/20/76/60/1420207660.db2.gz PCXBTUYGINNDEL-AZUAARDMSA-N 2 1 345.531 3.319 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001715521321 1420207663 /nfs/dbraw/zinc/20/76/63/1420207663.db2.gz PCXBTUYGINNDEL-AZUAARDMSA-N 2 1 345.531 3.319 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716478278 1420693621 /nfs/dbraw/zinc/69/36/21/1420693621.db2.gz PXFFLAOJFDQMOJ-QZTJIDSGSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCCCC2)CC1 ZINC001716700554 1420853410 /nfs/dbraw/zinc/85/34/10/1420853410.db2.gz IDDGMPHTIRWHHZ-LJQANCHMSA-N 2 1 349.563 3.460 20 0 EGADMP CC[N@@H+](CC1CC1)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001716715839 1420872382 /nfs/dbraw/zinc/87/23/82/1420872382.db2.gz OHAUQIAHCPENHM-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C[C@@H]1C ZINC001716772054 1420915790 /nfs/dbraw/zinc/91/57/90/1420915790.db2.gz YRJNRKOCOMILJQ-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001717200572 1421168201 /nfs/dbraw/zinc/16/82/01/1421168201.db2.gz IYBFLPPZFWSWJT-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)cc2C)CC1 ZINC001717200572 1421168204 /nfs/dbraw/zinc/16/82/04/1421168204.db2.gz IYBFLPPZFWSWJT-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2C)CC1 ZINC001717200572 1421168206 /nfs/dbraw/zinc/16/82/06/1421168206.db2.gz IYBFLPPZFWSWJT-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CCC[NH+](C)CC2CCCCCC2)C1 ZINC001717212354 1421186792 /nfs/dbraw/zinc/18/67/92/1421186792.db2.gz VHUBAXRTAYCYME-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)CCC[N@H+](C)CC2CCCCCC2)C1 ZINC001717212354 1421186795 /nfs/dbraw/zinc/18/67/95/1421186795.db2.gz VHUBAXRTAYCYME-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)CCC[N@@H+](C)CC2CCCCCC2)C1 ZINC001717212354 1421186797 /nfs/dbraw/zinc/18/67/97/1421186797.db2.gz VHUBAXRTAYCYME-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP CCC(CC)C[N@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc2C1 ZINC001717270441 1421227298 /nfs/dbraw/zinc/22/72/98/1421227298.db2.gz XXTNRNAGQCNLHY-HXUWFJFHSA-N 2 1 345.531 3.395 20 0 EGADMP CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001717356306 1421291101 /nfs/dbraw/zinc/29/11/01/1421291101.db2.gz SWGJVYWVFSDLFW-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001717356306 1421291104 /nfs/dbraw/zinc/29/11/04/1421291104.db2.gz SWGJVYWVFSDLFW-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001717356306 1421291105 /nfs/dbraw/zinc/29/11/05/1421291105.db2.gz SWGJVYWVFSDLFW-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N(C)CC(C)(C)C[NH2+]C(C)C)c1ccccc1 ZINC001717459100 1421388825 /nfs/dbraw/zinc/38/88/25/1421388825.db2.gz QFYCCJHSKGMGPT-SFHVURJKSA-N 2 1 333.520 3.162 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001717459549 1421389085 /nfs/dbraw/zinc/38/90/85/1421389085.db2.gz GNAMGTPSORTBKA-QZTJIDSGSA-N 2 1 345.531 3.082 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C[NH2+][C@@H](C)c1ccccc1)C(C)(C)C ZINC001717972433 1421744036 /nfs/dbraw/zinc/74/40/36/1421744036.db2.gz GYAVXRABUGMSDA-YJBOKZPZSA-N 2 1 342.487 3.073 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001724620753 1424973205 /nfs/dbraw/zinc/97/32/05/1424973205.db2.gz HATODDBHKRXSNY-OTWHNJEPSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001724620753 1424973210 /nfs/dbraw/zinc/97/32/10/1424973210.db2.gz HATODDBHKRXSNY-OTWHNJEPSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001724620753 1424973217 /nfs/dbraw/zinc/97/32/17/1424973217.db2.gz HATODDBHKRXSNY-OTWHNJEPSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CC3CCCCC3)CCC2)C1 ZINC001724795002 1425161932 /nfs/dbraw/zinc/16/19/32/1425161932.db2.gz GJPOMQPEFZBUNL-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001724833112 1425178704 /nfs/dbraw/zinc/17/87/04/1425178704.db2.gz BASVHOXXXLRPQR-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)(C)C ZINC001731467049 1427445566 /nfs/dbraw/zinc/44/55/66/1427445566.db2.gz ZAJYWDKWTBUBOF-AYHJJNSGSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C ZINC001731467049 1427445572 /nfs/dbraw/zinc/44/55/72/1427445572.db2.gz ZAJYWDKWTBUBOF-AYHJJNSGSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)(C)C ZINC001731467049 1427445579 /nfs/dbraw/zinc/44/55/79/1427445579.db2.gz ZAJYWDKWTBUBOF-AYHJJNSGSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001731696497 1427746417 /nfs/dbraw/zinc/74/64/17/1427746417.db2.gz ATZVBCBNIPQYHN-VQTJNVASSA-N 2 1 345.531 3.108 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001733783040 1430050352 /nfs/dbraw/zinc/05/03/52/1430050352.db2.gz VJOFEEHTCCQFHN-RTBURBONSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001733783040 1430050360 /nfs/dbraw/zinc/05/03/60/1430050360.db2.gz VJOFEEHTCCQFHN-RTBURBONSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001733783040 1430050362 /nfs/dbraw/zinc/05/03/62/1430050362.db2.gz VJOFEEHTCCQFHN-RTBURBONSA-N 2 1 337.552 3.079 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CCC2CCCC2)CC1(C)C)C1CCC1 ZINC001733875045 1437701564 /nfs/dbraw/zinc/70/15/64/1437701564.db2.gz IQDOYSWCXRPMSB-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CC[N@H+](CCC2CCCC2)CC1(C)C)C1CCC1 ZINC001733875045 1437701565 /nfs/dbraw/zinc/70/15/65/1437701565.db2.gz IQDOYSWCXRPMSB-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)CC1(C)C)C1CCC1 ZINC001733875045 1437701566 /nfs/dbraw/zinc/70/15/66/1437701566.db2.gz IQDOYSWCXRPMSB-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CCCC(C)(C)C ZINC001733902570 1437720363 /nfs/dbraw/zinc/72/03/63/1437720363.db2.gz VOZZRLPZAZUEKY-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001734271527 1438002210 /nfs/dbraw/zinc/00/22/10/1438002210.db2.gz GTDZWVYABHXRAV-QGZVFWFLSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@H+]1CCCC1CCC1 ZINC001734456313 1438113921 /nfs/dbraw/zinc/11/39/21/1438113921.db2.gz HTNAHZPACBQDKC-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c(F)c1 ZINC001734640124 1438198160 /nfs/dbraw/zinc/19/81/60/1438198160.db2.gz GBDVQIKKUOSELD-LJQANCHMSA-N 2 1 349.494 3.060 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CC1=CCCCC1 ZINC001752072309 1440138200 /nfs/dbraw/zinc/13/82/00/1440138200.db2.gz AHVYMWNDTVWREW-IBGZPJMESA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCCC[N@H+](C)CC1=CCCCC1 ZINC001752072309 1440138201 /nfs/dbraw/zinc/13/82/01/1440138201.db2.gz AHVYMWNDTVWREW-IBGZPJMESA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CC1=CCCCC1 ZINC001752072309 1440138202 /nfs/dbraw/zinc/13/82/02/1440138202.db2.gz AHVYMWNDTVWREW-IBGZPJMESA-N 2 1 335.536 3.188 20 0 EGADMP Cc1cccc(C[N@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001752124476 1440143137 /nfs/dbraw/zinc/14/31/37/1440143137.db2.gz LGWROGIOKUGFDS-FQEVSTJZSA-N 2 1 345.531 3.054 20 0 EGADMP CCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001752158337 1440148055 /nfs/dbraw/zinc/14/80/55/1440148055.db2.gz MWTOCZZHOAAATD-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001752629439 1440197048 /nfs/dbraw/zinc/19/70/48/1440197048.db2.gz YCWCAAYNWVASTA-FHWLQOOXSA-N 2 1 349.563 3.314 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001752709186 1440203273 /nfs/dbraw/zinc/20/32/73/1440203273.db2.gz ZRMAEFOFCZCRDG-MNVMYWNISA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)(C(=O)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001752785346 1440210816 /nfs/dbraw/zinc/21/08/16/1440210816.db2.gz UWUHGEFISLIXLI-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001752787222 1440211770 /nfs/dbraw/zinc/21/17/70/1440211770.db2.gz IZSVWJHDPKMJNJ-OALUTQOASA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752835401 1440227428 /nfs/dbraw/zinc/22/74/28/1440227428.db2.gz FNPZKDXJDBHHNE-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001752835401 1440227429 /nfs/dbraw/zinc/22/74/29/1440227429.db2.gz FNPZKDXJDBHHNE-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001752835401 1440227430 /nfs/dbraw/zinc/22/74/30/1440227430.db2.gz FNPZKDXJDBHHNE-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001752836791 1440228330 /nfs/dbraw/zinc/22/83/30/1440228330.db2.gz PVDHZKDYKQIPKY-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001752840121 1440229966 /nfs/dbraw/zinc/22/99/66/1440229966.db2.gz GWBOWQXYHWGLJT-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001752840121 1440229967 /nfs/dbraw/zinc/22/99/67/1440229967.db2.gz GWBOWQXYHWGLJT-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001752840121 1440229968 /nfs/dbraw/zinc/22/99/68/1440229968.db2.gz GWBOWQXYHWGLJT-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001752841137 1440230483 /nfs/dbraw/zinc/23/04/83/1440230483.db2.gz OBJKETAASSKAFO-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001752902455 1440243213 /nfs/dbraw/zinc/24/32/13/1440243213.db2.gz BVOPMDWVFNVFAE-VQIMIIECSA-N 2 1 349.494 3.013 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC001752959006 1440253020 /nfs/dbraw/zinc/25/30/20/1440253020.db2.gz RUEVBBGEWLMPET-VQIMIIECSA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001752999840 1440263898 /nfs/dbraw/zinc/26/38/98/1440263898.db2.gz ISGVQFCOLBHADV-PMACEKPBSA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001753014549 1440268032 /nfs/dbraw/zinc/26/80/32/1440268032.db2.gz OVYYXNISUAFSOZ-APWZRJJASA-N 2 1 349.494 3.073 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001753029231 1440272186 /nfs/dbraw/zinc/27/21/86/1440272186.db2.gz BTHHUUSUGSYWTL-GOSISDBHSA-N 2 1 337.552 3.410 20 0 EGADMP CCC[NH+]1CCC[C@H]1CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001753029231 1440272187 /nfs/dbraw/zinc/27/21/87/1440272187.db2.gz BTHHUUSUGSYWTL-GOSISDBHSA-N 2 1 337.552 3.410 20 0 EGADMP CCC[NH+]1CCC[C@H]1CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001753029231 1440272188 /nfs/dbraw/zinc/27/21/88/1440272188.db2.gz BTHHUUSUGSYWTL-GOSISDBHSA-N 2 1 337.552 3.410 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001753094803 1440301907 /nfs/dbraw/zinc/30/19/07/1440301907.db2.gz JAJWYMIORNBIFV-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001753094803 1440301908 /nfs/dbraw/zinc/30/19/08/1440301908.db2.gz JAJWYMIORNBIFV-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001753094803 1440301909 /nfs/dbraw/zinc/30/19/09/1440301909.db2.gz JAJWYMIORNBIFV-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C)c(C)c1 ZINC001753117129 1440312095 /nfs/dbraw/zinc/31/20/95/1440312095.db2.gz WBTFVCVEWKMTRO-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C)c(C)c1 ZINC001753117129 1440312096 /nfs/dbraw/zinc/31/20/96/1440312096.db2.gz WBTFVCVEWKMTRO-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C)c(C)c1 ZINC001753117129 1440312097 /nfs/dbraw/zinc/31/20/97/1440312097.db2.gz WBTFVCVEWKMTRO-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CN(CC[NH2+]CCC1CCCCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001753203143 1440338542 /nfs/dbraw/zinc/33/85/42/1440338542.db2.gz SKQYUIWUFPOLPT-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001753274977 1440346001 /nfs/dbraw/zinc/34/60/01/1440346001.db2.gz UTMOLZLDSFPQHP-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC1=CCCCC1 ZINC001753286542 1440348924 /nfs/dbraw/zinc/34/89/24/1440348924.db2.gz DMNRDIPFGYPMHW-FQEVSTJZSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001753315633 1440359221 /nfs/dbraw/zinc/35/92/21/1440359221.db2.gz CAUGTWJTTWOQCP-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001753318511 1440361308 /nfs/dbraw/zinc/36/13/08/1440361308.db2.gz KPUYCPMUVCGTSC-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001753318511 1440361309 /nfs/dbraw/zinc/36/13/09/1440361309.db2.gz KPUYCPMUVCGTSC-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CCCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001753318511 1440361310 /nfs/dbraw/zinc/36/13/10/1440361310.db2.gz KPUYCPMUVCGTSC-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC001753323877 1440365388 /nfs/dbraw/zinc/36/53/88/1440365388.db2.gz SETYXHGQRDZLRV-SOAGJPPSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001753427982 1440397355 /nfs/dbraw/zinc/39/73/55/1440397355.db2.gz RRGZUMXIPFNTAS-UFYCRDLUSA-N 2 1 349.563 3.218 20 0 EGADMP CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001753436199 1440400059 /nfs/dbraw/zinc/40/00/59/1440400059.db2.gz GTUPUUHRDZCRGN-TUYSUELWSA-N 2 1 349.544 3.312 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001753436199 1440400060 /nfs/dbraw/zinc/40/00/60/1440400060.db2.gz GTUPUUHRDZCRGN-TUYSUELWSA-N 2 1 349.544 3.312 20 0 EGADMP CCN(C(=O)CC[NH+]1CCCCC1)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001753462302 1440411509 /nfs/dbraw/zinc/41/15/09/1440411509.db2.gz VJJUSUIEXXEGTA-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC001753511804 1440426180 /nfs/dbraw/zinc/42/61/80/1440426180.db2.gz MSBNCZUEMPMPQT-RTBURBONSA-N 2 1 343.515 3.108 20 0 EGADMP CC(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001753547869 1440434514 /nfs/dbraw/zinc/43/45/14/1440434514.db2.gz FZOWRPUZSGXYKM-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C/CC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]cn1)CC2 ZINC001753604076 1440447673 /nfs/dbraw/zinc/44/76/73/1440447673.db2.gz UFAILJQHQYKZAQ-ONEGZZNKSA-N 2 1 344.503 3.013 20 0 EGADMP CC/C=C/CC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1cnc[nH]1)CC2 ZINC001753604076 1440447674 /nfs/dbraw/zinc/44/76/74/1440447674.db2.gz UFAILJQHQYKZAQ-ONEGZZNKSA-N 2 1 344.503 3.013 20 0 EGADMP CC/C=C/CC[N@H+]1CCC2(C1)CCN(C(=O)CCc1cnc[nH]1)CC2 ZINC001753604076 1440447675 /nfs/dbraw/zinc/44/76/75/1440447675.db2.gz UFAILJQHQYKZAQ-ONEGZZNKSA-N 2 1 344.503 3.013 20 0 EGADMP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001753669949 1440461663 /nfs/dbraw/zinc/46/16/63/1440461663.db2.gz MFHXLWGYZPNXER-FKDQEEMOSA-N 2 1 347.547 3.378 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC001753670936 1440462034 /nfs/dbraw/zinc/46/20/34/1440462034.db2.gz NWKLWTJMTQTIEZ-LJQANCHMSA-N 2 1 345.531 3.354 20 0 EGADMP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC001753670885 1440462054 /nfs/dbraw/zinc/46/20/54/1440462054.db2.gz LZBGBHXWZWMKNZ-SJLPKXTDSA-N 2 1 349.494 3.056 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC3(C[NH+](CCCC(C)(C)C)C3)CC2)C1 ZINC001753674845 1440462990 /nfs/dbraw/zinc/46/29/90/1440462990.db2.gz ICCUQZLPPZCNDS-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001753708473 1440470037 /nfs/dbraw/zinc/47/00/37/1440470037.db2.gz GXWWRXKMODQBRS-FXAWDEMLSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001753708474 1440470049 /nfs/dbraw/zinc/47/00/49/1440470049.db2.gz GXWWRXKMODQBRS-PXNSSMCTSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCCC1CCCC1 ZINC001753772951 1440486041 /nfs/dbraw/zinc/48/60/41/1440486041.db2.gz LUHDZUFCKLKSIR-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[NH2+]CC[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001753788291 1440488547 /nfs/dbraw/zinc/48/85/47/1440488547.db2.gz ONBDSTUJOQQIBO-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC(CC[N@H+](C)CC3CC3)CC2)C1 ZINC001753824299 1440497827 /nfs/dbraw/zinc/49/78/27/1440497827.db2.gz YROFHFJEKQDIIN-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H]([NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)C(C)C)c1ccccc1 ZINC001753834471 1440500534 /nfs/dbraw/zinc/50/05/34/1440500534.db2.gz KUPYHBMPXQSDOB-RBUKOAKNSA-N 2 1 342.487 3.073 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1cccc(C)c1 ZINC001753854194 1440508099 /nfs/dbraw/zinc/50/80/99/1440508099.db2.gz AJRUQJWPHKNJKY-ICSRJNTNSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001753854194 1440508100 /nfs/dbraw/zinc/50/81/00/1440508100.db2.gz AJRUQJWPHKNJKY-ICSRJNTNSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001753854194 1440508101 /nfs/dbraw/zinc/50/81/01/1440508101.db2.gz AJRUQJWPHKNJKY-ICSRJNTNSA-N 2 1 345.531 3.321 20 0 EGADMP C[C@@H](c1ccccc1F)[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001753855230 1440508640 /nfs/dbraw/zinc/50/86/40/1440508640.db2.gz PQGHCMVJAWRVIR-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@@H](c1ccccc1F)[N@@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001753855230 1440508641 /nfs/dbraw/zinc/50/86/41/1440508641.db2.gz PQGHCMVJAWRVIR-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@@H](c1ccccc1F)[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001753855230 1440508642 /nfs/dbraw/zinc/50/86/42/1440508642.db2.gz PQGHCMVJAWRVIR-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@@H](c1ccccc1F)[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001753855230 1440508643 /nfs/dbraw/zinc/50/86/43/1440508643.db2.gz PQGHCMVJAWRVIR-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP Cc1cccc(C[N@H+](C)CCN(C)C(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001753866727 1440514665 /nfs/dbraw/zinc/51/46/65/1440514665.db2.gz QNYXWWGZPUOOGC-UHFFFAOYSA-N 2 1 345.531 3.006 20 0 EGADMP C[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCCC(C)(C)C)C2)CC1 ZINC001753876114 1440519234 /nfs/dbraw/zinc/51/92/34/1440519234.db2.gz RABLMMLEGNCXRX-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CN(CC[N@@H+](C)CCC1=CCCCC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001753877550 1440519989 /nfs/dbraw/zinc/51/99/89/1440519989.db2.gz VYYQTQVKMNXQNI-VQTJNVASSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)CCC[NH2+]CC[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001753999713 1440530112 /nfs/dbraw/zinc/53/01/12/1440530112.db2.gz OUCHINNRPXWNKA-QFBILLFUSA-N 2 1 343.531 3.120 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(CF)cc1 ZINC001754025303 1440533039 /nfs/dbraw/zinc/53/30/39/1440533039.db2.gz ILQVUYAFTJDHLV-APWZRJJASA-N 2 1 349.494 3.015 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[N@H+](C)[C@H](C)c1ccccc1 ZINC001754337870 1440587462 /nfs/dbraw/zinc/58/74/62/1440587462.db2.gz MBPKLSASHFNVJJ-IAGOWNOFSA-N 2 1 342.487 3.169 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC001754337870 1440587463 /nfs/dbraw/zinc/58/74/63/1440587463.db2.gz MBPKLSASHFNVJJ-IAGOWNOFSA-N 2 1 342.487 3.169 20 0 EGADMP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001754382280 1440593439 /nfs/dbraw/zinc/59/34/39/1440593439.db2.gz PQXCXUAGOLVOFQ-HXUWFJFHSA-N 2 1 345.531 3.054 20 0 EGADMP CN(CCC[NH2+]CCCC(C)(C)C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001754402308 1440595353 /nfs/dbraw/zinc/59/53/53/1440595353.db2.gz CVOJFUMXYYHTBJ-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001754493309 1440611051 /nfs/dbraw/zinc/61/10/51/1440611051.db2.gz UTILPSCVYVPJCG-QFBILLFUSA-N 2 1 331.504 3.013 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001754505071 1440615916 /nfs/dbraw/zinc/61/59/16/1440615916.db2.gz PZMCRPGUSMCDKQ-AZUAARDMSA-N 2 1 343.515 3.204 20 0 EGADMP CCCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001754558211 1440632494 /nfs/dbraw/zinc/63/24/94/1440632494.db2.gz ZRIGEVSNNKXHSL-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001754558211 1440632495 /nfs/dbraw/zinc/63/24/95/1440632495.db2.gz ZRIGEVSNNKXHSL-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001754558211 1440632496 /nfs/dbraw/zinc/63/24/96/1440632496.db2.gz ZRIGEVSNNKXHSL-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001754568950 1440636739 /nfs/dbraw/zinc/63/67/39/1440636739.db2.gz IJNGGCBAKZUMQW-SHTLVRLNSA-N 2 1 347.547 3.143 20 0 EGADMP CC(C)[C@H](C(=O)N(C)C1C[NH+](CCC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001754587389 1440640193 /nfs/dbraw/zinc/64/01/93/1440640193.db2.gz LIRYGQDKAXDVMV-HXUWFJFHSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001754617221 1440644733 /nfs/dbraw/zinc/64/47/33/1440644733.db2.gz IUWDDIQEDHBXNT-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001754685053 1440664522 /nfs/dbraw/zinc/66/45/22/1440664522.db2.gz CSVCMEVBKTYNFC-FQEVSTJZSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001754685243 1440664615 /nfs/dbraw/zinc/66/46/15/1440664615.db2.gz HJEJYZOAYAROOK-FQEVSTJZSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+](CCC2CCCCCC2)C1 ZINC001754685243 1440664616 /nfs/dbraw/zinc/66/46/16/1440664616.db2.gz HJEJYZOAYAROOK-FQEVSTJZSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](CCC2CCCCCC2)C1 ZINC001754685243 1440664617 /nfs/dbraw/zinc/66/46/17/1440664617.db2.gz HJEJYZOAYAROOK-FQEVSTJZSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CCC1=CCCCC1)C2 ZINC001754782688 1440686739 /nfs/dbraw/zinc/68/67/39/1440686739.db2.gz GSTFIGRULYBRTG-UFYCRDLUSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1=CCCCC1)C2 ZINC001754782688 1440686740 /nfs/dbraw/zinc/68/67/40/1440686740.db2.gz GSTFIGRULYBRTG-UFYCRDLUSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1=CCCCC1)C2 ZINC001754782688 1440686741 /nfs/dbraw/zinc/68/67/41/1440686741.db2.gz GSTFIGRULYBRTG-UFYCRDLUSA-N 2 1 347.547 3.188 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CCC1=CCCCC1)C2 ZINC001754782820 1440686747 /nfs/dbraw/zinc/68/67/47/1440686747.db2.gz HLVHVLVKQYVRQI-UFYCRDLUSA-N 2 1 347.547 3.188 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1=CCCCC1)C2 ZINC001754782820 1440686748 /nfs/dbraw/zinc/68/67/48/1440686748.db2.gz HLVHVLVKQYVRQI-UFYCRDLUSA-N 2 1 347.547 3.188 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1=CCCCC1)C2 ZINC001754782820 1440686749 /nfs/dbraw/zinc/68/67/49/1440686749.db2.gz HLVHVLVKQYVRQI-UFYCRDLUSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001754833632 1440696359 /nfs/dbraw/zinc/69/63/59/1440696359.db2.gz HAUVEZKFNYDNDH-CADBVGFASA-N 2 1 337.552 3.029 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001755024563 1440728083 /nfs/dbraw/zinc/72/80/83/1440728083.db2.gz CRYPFVPQHZDYKP-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001755024563 1440728084 /nfs/dbraw/zinc/72/80/84/1440728084.db2.gz CRYPFVPQHZDYKP-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001755024563 1440728085 /nfs/dbraw/zinc/72/80/85/1440728085.db2.gz CRYPFVPQHZDYKP-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2cccc(CC)c2)CC1 ZINC001755030729 1440731317 /nfs/dbraw/zinc/73/13/17/1440731317.db2.gz GKQKTWUHOUDMLY-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(CC)c2)CC1 ZINC001755030729 1440731318 /nfs/dbraw/zinc/73/13/18/1440731318.db2.gz GKQKTWUHOUDMLY-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(CC)c2)CC1 ZINC001755030729 1440731319 /nfs/dbraw/zinc/73/13/19/1440731319.db2.gz GKQKTWUHOUDMLY-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CN(CCC[N@@H+](C)CCC(C)(C)C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001755044331 1440739529 /nfs/dbraw/zinc/73/95/29/1440739529.db2.gz QDKGHJXWWCLFSB-ROUUACIJSA-N 2 1 339.568 3.323 20 0 EGADMP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001755072574 1440747121 /nfs/dbraw/zinc/74/71/21/1440747121.db2.gz LNXUAXARSOMTJX-IPLHWJFFSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCC2CCCC2)CC1(C)C ZINC001755144178 1440762551 /nfs/dbraw/zinc/76/25/51/1440762551.db2.gz XOWGEGUSFVJXAV-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCC2CCCC2)CC1(C)C ZINC001755144178 1440762552 /nfs/dbraw/zinc/76/25/52/1440762552.db2.gz XOWGEGUSFVJXAV-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)CC1(C)C ZINC001755144178 1440762553 /nfs/dbraw/zinc/76/25/53/1440762553.db2.gz XOWGEGUSFVJXAV-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CCC3(CC3)CC2)[C@H](C)C1 ZINC001755165648 1440767101 /nfs/dbraw/zinc/76/71/01/1440767101.db2.gz PGSPHODWKZWEQG-MJGOQNOKSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)[C@H](C)C1 ZINC001755165648 1440767102 /nfs/dbraw/zinc/76/71/02/1440767102.db2.gz PGSPHODWKZWEQG-MJGOQNOKSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)[C@H](C)C1 ZINC001755165648 1440767103 /nfs/dbraw/zinc/76/71/03/1440767103.db2.gz PGSPHODWKZWEQG-MJGOQNOKSA-N 2 1 349.563 3.266 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001755184044 1440772271 /nfs/dbraw/zinc/77/22/71/1440772271.db2.gz MDPMHEURYDMPSC-UHFFFAOYSA-N 2 1 339.568 3.325 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001755201290 1440779827 /nfs/dbraw/zinc/77/98/27/1440779827.db2.gz QJWJNJBVUGSLRK-VQTJNVASSA-N 2 1 345.531 3.401 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001755201290 1440779828 /nfs/dbraw/zinc/77/98/28/1440779828.db2.gz QJWJNJBVUGSLRK-VQTJNVASSA-N 2 1 345.531 3.401 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001755201290 1440779829 /nfs/dbraw/zinc/77/98/29/1440779829.db2.gz QJWJNJBVUGSLRK-VQTJNVASSA-N 2 1 345.531 3.401 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+](CCC3CC3)C2)CC1 ZINC001755205390 1440782061 /nfs/dbraw/zinc/78/20/61/1440782061.db2.gz RRVCNVOPSRKTAX-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC001755205390 1440782062 /nfs/dbraw/zinc/78/20/62/1440782062.db2.gz RRVCNVOPSRKTAX-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC001755205390 1440782063 /nfs/dbraw/zinc/78/20/63/1440782063.db2.gz RRVCNVOPSRKTAX-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001755289381 1440803288 /nfs/dbraw/zinc/80/32/88/1440803288.db2.gz LTXQJZVFPLSYDO-MSOLQXFVSA-N 2 1 345.531 3.164 20 0 EGADMP Cc1cccc(C)c1C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001755300485 1440808095 /nfs/dbraw/zinc/80/80/95/1440808095.db2.gz QMYWCKWEPQZMHN-QUCCMNQESA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cccc(C)c1C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001755300485 1440808096 /nfs/dbraw/zinc/80/80/96/1440808096.db2.gz QMYWCKWEPQZMHN-QUCCMNQESA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001755300485 1440808097 /nfs/dbraw/zinc/80/80/97/1440808097.db2.gz QMYWCKWEPQZMHN-QUCCMNQESA-N 2 1 345.531 3.113 20 0 EGADMP CC(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001755300675 1440808476 /nfs/dbraw/zinc/80/84/76/1440808476.db2.gz VOQLZVQHVGAMMW-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755300675 1440808477 /nfs/dbraw/zinc/80/84/77/1440808477.db2.gz VOQLZVQHVGAMMW-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755300675 1440808478 /nfs/dbraw/zinc/80/84/78/1440808478.db2.gz VOQLZVQHVGAMMW-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccc(F)cc1 ZINC001755319873 1440818053 /nfs/dbraw/zinc/81/80/53/1440818053.db2.gz LCPZYHBLACSUNF-APWZRJJASA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(F)cc1 ZINC001755319873 1440818054 /nfs/dbraw/zinc/81/80/54/1440818054.db2.gz LCPZYHBLACSUNF-APWZRJJASA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1 ZINC001755319873 1440818055 /nfs/dbraw/zinc/81/80/55/1440818055.db2.gz LCPZYHBLACSUNF-APWZRJJASA-N 2 1 349.494 3.025 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[C@H]([NH2+]CC=C(C)C)C(C)C)CC[N@H+]1C ZINC001755339671 1440824677 /nfs/dbraw/zinc/82/46/77/1440824677.db2.gz LSRACRBBLQKESX-GBESFXJTSA-N 2 1 337.552 3.146 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1(C[NH2+]CCC2CC2)CCCCC1 ZINC001755356360 1440829703 /nfs/dbraw/zinc/82/97/03/1440829703.db2.gz LUOCGTAHMNRWRF-CALCHBBNSA-N 2 1 335.536 3.068 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001755414972 1440848172 /nfs/dbraw/zinc/84/81/72/1440848172.db2.gz CNZDQYBRKXCXHT-UEKDZROGSA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCCC3CCC3)C[C@H]2C1 ZINC001755451128 1440853452 /nfs/dbraw/zinc/85/34/52/1440853452.db2.gz BFMVLXBJTPTNEH-VAMGGRTRSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](CC3=CCCCC3)C[C@H]2C1 ZINC001755451428 1440853716 /nfs/dbraw/zinc/85/37/16/1440853716.db2.gz FZKUJYLTYYBQHW-VAMGGRTRSA-N 2 1 347.547 3.045 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3=CCCCC3)C[C@H]2C1 ZINC001755451428 1440853717 /nfs/dbraw/zinc/85/37/17/1440853717.db2.gz FZKUJYLTYYBQHW-VAMGGRTRSA-N 2 1 347.547 3.045 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2C1 ZINC001755451428 1440853718 /nfs/dbraw/zinc/85/37/18/1440853718.db2.gz FZKUJYLTYYBQHW-VAMGGRTRSA-N 2 1 347.547 3.045 20 0 EGADMP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001755477548 1440859700 /nfs/dbraw/zinc/85/97/00/1440859700.db2.gz XDCPUJIZFCBYGX-ZHALLVOQSA-N 2 1 335.536 3.068 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001755483707 1440860529 /nfs/dbraw/zinc/86/05/29/1440860529.db2.gz SPCMHEPIUXOELW-VAMGGRTRSA-N 2 1 349.563 3.316 20 0 EGADMP CCC(CC)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001755529749 1440866547 /nfs/dbraw/zinc/86/65/47/1440866547.db2.gz HFSBZNULTNRGAO-IBGZPJMESA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001755529749 1440866548 /nfs/dbraw/zinc/86/65/48/1440866548.db2.gz HFSBZNULTNRGAO-IBGZPJMESA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001755529749 1440866549 /nfs/dbraw/zinc/86/65/49/1440866549.db2.gz HFSBZNULTNRGAO-IBGZPJMESA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001755552908 1440872716 /nfs/dbraw/zinc/87/27/16/1440872716.db2.gz GNKCHJZEVKLTBM-RBUKOAKNSA-N 2 1 349.563 3.029 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001755587950 1440880732 /nfs/dbraw/zinc/88/07/32/1440880732.db2.gz NTAVULRMHNXMFH-IEBWSBKVSA-N 2 1 335.536 3.186 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N[C@@]12CCC[C@@H]1[N@@H+](CC1CCC1)CC2 ZINC001755704117 1440901524 /nfs/dbraw/zinc/90/15/24/1440901524.db2.gz HWVKDSMRYXCTMK-PZJWPPBQSA-N 2 1 347.547 3.166 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CC1CC3(CCC3)C1)CC2 ZINC001755704392 1440901970 /nfs/dbraw/zinc/90/19/70/1440901970.db2.gz LCBWVTQLGJOXBP-NQIIRXRSSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1[N@H+](CC1CC3(CCC3)C1)CC2 ZINC001755704392 1440901971 /nfs/dbraw/zinc/90/19/71/1440901971.db2.gz LCBWVTQLGJOXBP-NQIIRXRSSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1[N@@H+](CC1CC3(CCC3)C1)CC2 ZINC001755704392 1440901972 /nfs/dbraw/zinc/90/19/72/1440901972.db2.gz LCBWVTQLGJOXBP-NQIIRXRSSA-N 2 1 347.547 3.022 20 0 EGADMP CC1CC(C[N@H+]2CC[C@@]3(NC(=O)CCC[NH+]4CCCC4)CCC[C@@H]23)C1 ZINC001755704791 1440901998 /nfs/dbraw/zinc/90/19/98/1440901998.db2.gz QHDGPKFQVQETBU-BRAJZSMUSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CCC1CCCC1)CC2 ZINC001755705204 1440902477 /nfs/dbraw/zinc/90/24/77/1440902477.db2.gz VWOYSZXNTVJEFI-ICSRJNTNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@@H]1[N@H+](CCC1CCCC1)CC2 ZINC001755705204 1440902478 /nfs/dbraw/zinc/90/24/78/1440902478.db2.gz VWOYSZXNTVJEFI-ICSRJNTNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@@H]1[N@@H+](CCC1CCCC1)CC2 ZINC001755705204 1440902479 /nfs/dbraw/zinc/90/24/79/1440902479.db2.gz VWOYSZXNTVJEFI-ICSRJNTNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001755722818 1440908153 /nfs/dbraw/zinc/90/81/53/1440908153.db2.gz OSCZOTCMHHBPHC-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001755722816 1440908238 /nfs/dbraw/zinc/90/82/38/1440908238.db2.gz OSCZOTCMHHBPHC-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1(C)C ZINC001755774535 1440917133 /nfs/dbraw/zinc/91/71/33/1440917133.db2.gz MWYHOHQJNKCAKE-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)N(CC[N@@H+](C)CCC1=CCCCC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001755817715 1440924664 /nfs/dbraw/zinc/92/46/64/1440924664.db2.gz WDNSKRTWQKGOKY-HXUWFJFHSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)N(CC[NH+](C)CCC1=CCCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001755817715 1440924665 /nfs/dbraw/zinc/92/46/65/1440924665.db2.gz WDNSKRTWQKGOKY-HXUWFJFHSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)N(CC[NH+](C)CCC1=CCCCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001755817715 1440924666 /nfs/dbraw/zinc/92/46/66/1440924666.db2.gz WDNSKRTWQKGOKY-HXUWFJFHSA-N 2 1 349.563 3.388 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH2+]CC2=CCCCC2)C(C)(C)C)CC[N@H+]1C ZINC001755829288 1440928275 /nfs/dbraw/zinc/92/82/75/1440928275.db2.gz AWTPRUDLUMNKSD-YTQUADARSA-N 2 1 349.563 3.338 20 0 EGADMP CCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001755843314 1440932409 /nfs/dbraw/zinc/93/24/09/1440932409.db2.gz CJJFLNVGZWBVST-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368566809 168373326 /nfs/dbraw/zinc/37/33/26/168373326.db2.gz JZZBQJSFORKDAE-DFEOGRTESA-N 2 1 332.488 3.074 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000178700537 232388112 /nfs/dbraw/zinc/38/81/12/232388112.db2.gz WSNYATOONCIXMU-CABCVRRESA-N 2 1 329.444 3.340 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000187103034 236118697 /nfs/dbraw/zinc/11/86/97/236118697.db2.gz CGOAVRCZWXTROO-UHFFFAOYSA-N 2 1 325.456 3.333 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268946405 201229448 /nfs/dbraw/zinc/22/94/48/201229448.db2.gz BFISVYRADYYDEF-YHUYVZNPSA-N 2 1 328.500 3.443 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268946405 201229452 /nfs/dbraw/zinc/22/94/52/201229452.db2.gz BFISVYRADYYDEF-YHUYVZNPSA-N 2 1 328.500 3.443 20 0 EGADMP CC(C)n1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272245407 201249130 /nfs/dbraw/zinc/24/91/30/201249130.db2.gz XGEAZMAYPNRVGI-FXAWDEMLSA-N 2 1 326.488 3.464 20 0 EGADMP C[C@H](N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272665213 201252692 /nfs/dbraw/zinc/25/26/92/201252692.db2.gz SDAZVAITEQODCP-QGZVKYPTSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H](N[C@@H]1C[C@H](C)[NH+](C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272665213 201252696 /nfs/dbraw/zinc/25/26/96/201252696.db2.gz SDAZVAITEQODCP-QGZVKYPTSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H](N[C@@H]1C[C@H](C)[NH+](C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272665213 201252700 /nfs/dbraw/zinc/25/27/00/201252700.db2.gz SDAZVAITEQODCP-QGZVKYPTSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272665213 201252702 /nfs/dbraw/zinc/25/27/02/201252702.db2.gz SDAZVAITEQODCP-QGZVKYPTSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272665213 201252705 /nfs/dbraw/zinc/25/27/05/201252705.db2.gz SDAZVAITEQODCP-QGZVKYPTSA-N 2 1 327.516 3.112 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000275904756 201287823 /nfs/dbraw/zinc/28/78/23/201287823.db2.gz SUHQZEUGWTWVCS-SNVBAGLBSA-N 2 1 326.213 3.444 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000193937214 240369244 /nfs/dbraw/zinc/36/92/44/240369244.db2.gz UBVMWUGKFLKCIV-HSALFYBXSA-N 2 1 326.484 3.198 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000194022451 240406069 /nfs/dbraw/zinc/40/60/69/240406069.db2.gz ZWVKHCAQHBOWME-XRXFAXGQSA-N 2 1 340.511 3.098 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@H]([NH3+])c2ccccc2)c1 ZINC000236663712 242310594 /nfs/dbraw/zinc/31/05/94/242310594.db2.gz XVIDWHUYCUZXHF-FQEVSTJZSA-N 2 1 339.483 3.233 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc3cc[nH]c32)[C@@H](C)C1 ZINC000236866356 242389100 /nfs/dbraw/zinc/38/91/00/242389100.db2.gz UEOVNYNOCQHVPL-LPHOPBHVSA-N 2 1 329.488 3.395 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000131280420 205280124 /nfs/dbraw/zinc/28/01/24/205280124.db2.gz AQKFJTUFFIBHMR-CJTUPEFNSA-N 2 1 331.287 3.345 20 0 EGADMP COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)o1 ZINC000132349022 205322184 /nfs/dbraw/zinc/32/21/84/205322184.db2.gz NYGJGSFNSUYGEO-OAHLLOKOSA-N 2 1 342.439 3.117 20 0 EGADMP COC(=O)c1ccccc1-c1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)o1 ZINC000132349022 205322187 /nfs/dbraw/zinc/32/21/87/205322187.db2.gz NYGJGSFNSUYGEO-OAHLLOKOSA-N 2 1 342.439 3.117 20 0 EGADMP CCOC(=O)CCCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000133111636 205356750 /nfs/dbraw/zinc/35/67/50/205356750.db2.gz VVIFTXVGEZTWHJ-UHFFFAOYSA-N 2 1 332.488 3.316 20 0 EGADMP CCOC(=O)CCCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000133111636 205356754 /nfs/dbraw/zinc/35/67/54/205356754.db2.gz VVIFTXVGEZTWHJ-UHFFFAOYSA-N 2 1 332.488 3.316 20 0 EGADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132833732 205343904 /nfs/dbraw/zinc/34/39/04/205343904.db2.gz JDXUKGHBLQQVCD-YLJYHZDGSA-N 2 1 344.499 3.299 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(C)ccc32)CC1 ZINC000159079736 206225148 /nfs/dbraw/zinc/22/51/48/206225148.db2.gz YJNXRROLVKWYFP-LJQANCHMSA-N 2 1 332.488 3.299 20 0 EGADMP Cc1ccoc1C[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000266186577 248157027 /nfs/dbraw/zinc/15/70/27/248157027.db2.gz HNCKALJBEMPKFX-CALCHBBNSA-N 2 1 328.456 3.487 20 0 EGADMP Cc1noc(C)c1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377335111 169011756 /nfs/dbraw/zinc/01/17/56/169011756.db2.gz FRZUEHOYCBZLAH-RBUKOAKNSA-N 2 1 325.456 3.245 20 0 EGADMP Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377335111 169011760 /nfs/dbraw/zinc/01/17/60/169011760.db2.gz FRZUEHOYCBZLAH-RBUKOAKNSA-N 2 1 325.456 3.245 20 0 EGADMP Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377335111 169011762 /nfs/dbraw/zinc/01/17/62/169011762.db2.gz FRZUEHOYCBZLAH-RBUKOAKNSA-N 2 1 325.456 3.245 20 0 EGADMP CCn1ccnc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000378301790 169097887 /nfs/dbraw/zinc/09/78/87/169097887.db2.gz PNBUPHVVVLACMD-UHFFFAOYSA-N 2 1 338.499 3.391 20 0 EGADMP CCn1ccnc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000378301790 169097888 /nfs/dbraw/zinc/09/78/88/169097888.db2.gz PNBUPHVVVLACMD-UHFFFAOYSA-N 2 1 338.499 3.391 20 0 EGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378337844 169103252 /nfs/dbraw/zinc/10/32/52/169103252.db2.gz BBTLQMKYUOJACB-YLJYHZDGSA-N 2 1 349.950 3.415 20 0 EGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378337844 169103253 /nfs/dbraw/zinc/10/32/53/169103253.db2.gz BBTLQMKYUOJACB-YLJYHZDGSA-N 2 1 349.950 3.415 20 0 EGADMP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(SC)cc1OC ZINC000172597262 206849178 /nfs/dbraw/zinc/84/91/78/206849178.db2.gz BLLICVWGMWXFIY-CYBMUJFWSA-N 2 1 349.500 3.357 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237344241 296314400 /nfs/dbraw/zinc/31/44/00/296314400.db2.gz BIEUGLPFJADJJP-UTKZUKDTSA-N 2 1 343.515 3.067 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC000268753069 252202935 /nfs/dbraw/zinc/20/29/35/252202935.db2.gz IOMHSSARKPMGDA-QFBILLFUSA-N 2 1 325.456 3.233 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC000268753069 252202940 /nfs/dbraw/zinc/20/29/40/252202940.db2.gz IOMHSSARKPMGDA-QFBILLFUSA-N 2 1 325.456 3.233 20 0 EGADMP Fc1ccc(CC[NH+]2CCC(N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000268764268 252213950 /nfs/dbraw/zinc/21/39/50/252213950.db2.gz IRTLXFISOZAAKM-NHCUHLMSSA-N 2 1 345.506 3.049 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268786160 252236573 /nfs/dbraw/zinc/23/65/73/252236573.db2.gz RZRYPKCFAVAYQP-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268786160 252236578 /nfs/dbraw/zinc/23/65/78/252236578.db2.gz RZRYPKCFAVAYQP-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP Brc1cccc(NCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000352970155 532968036 /nfs/dbraw/zinc/96/80/36/532968036.db2.gz UNBZYJYAYNZJFA-HOTGVXAUSA-N 2 1 338.293 3.077 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179637526 207661681 /nfs/dbraw/zinc/66/16/81/207661681.db2.gz DTNWNJFMKBZBSE-INIZCTEOSA-N 2 1 330.451 3.012 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179637526 207661688 /nfs/dbraw/zinc/66/16/88/207661688.db2.gz DTNWNJFMKBZBSE-INIZCTEOSA-N 2 1 330.451 3.012 20 0 EGADMP COCCC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000246936732 141044650 /nfs/dbraw/zinc/04/46/50/141044650.db2.gz HKYUZWXWYKYFRM-KURKYZTESA-N 2 1 334.504 3.201 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cncc(F)c1 ZINC000246939497 141045225 /nfs/dbraw/zinc/04/52/25/141045225.db2.gz HNWBRBOPWFWLIV-JKSUJKDBSA-N 2 1 343.446 3.292 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cncc(F)c1 ZINC000246939497 141045226 /nfs/dbraw/zinc/04/52/26/141045226.db2.gz HNWBRBOPWFWLIV-JKSUJKDBSA-N 2 1 343.446 3.292 20 0 EGADMP Cn1c2ccc(Cl)cc2nc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246983299 141047339 /nfs/dbraw/zinc/04/73/39/141047339.db2.gz OZHLVIWPZODFQP-BBRMVZONSA-N 2 1 332.879 3.143 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(O)cc2)[C@@H](C)C1 ZINC000268826838 141059181 /nfs/dbraw/zinc/05/91/81/141059181.db2.gz BEDGRBDOIWEWIZ-ZWOKBUDYSA-N 2 1 334.504 3.050 20 0 EGADMP C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347971600 141226417 /nfs/dbraw/zinc/22/64/17/141226417.db2.gz XYUFCUMNRNHOHF-YSIASYRMSA-N 2 1 341.499 3.383 20 0 EGADMP CN(CC[N@@H+](C)Cc1cccc(C(F)F)c1)C1CC[NH+](C)CC1 ZINC000348031699 141234560 /nfs/dbraw/zinc/23/45/60/141234560.db2.gz KHEIWNKCSWMUHE-UHFFFAOYSA-N 2 1 325.447 3.082 20 0 EGADMP COc1c(Br)cccc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000187281767 144156072 /nfs/dbraw/zinc/15/60/72/144156072.db2.gz AGTGYILEGVXBKH-UONOGXRCSA-N 2 1 341.293 3.420 20 0 EGADMP CN(C[C@H](O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CC1 ZINC000351381459 144262623 /nfs/dbraw/zinc/26/26/23/144262623.db2.gz GDMMOYBQNGKRJZ-KRWDZBQOSA-N 2 1 342.405 3.125 20 0 EGADMP CN(C[C@H](O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CC1 ZINC000351381459 144262624 /nfs/dbraw/zinc/26/26/24/144262624.db2.gz GDMMOYBQNGKRJZ-KRWDZBQOSA-N 2 1 342.405 3.125 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C[C@@H]12 ZINC000351477552 144266336 /nfs/dbraw/zinc/26/63/36/144266336.db2.gz NQUAIGSTNIRLEF-MISYRCLQSA-N 2 1 349.478 3.351 20 0 EGADMP CN1CC[NH+](CC2(C)CCN(c3cc[nH+]c4ccsc43)CC2)CC1 ZINC000363772119 144365020 /nfs/dbraw/zinc/36/50/20/144365020.db2.gz AGFUYTMJZPMZAB-UHFFFAOYSA-N 2 1 344.528 3.150 20 0 EGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000363779845 144365935 /nfs/dbraw/zinc/36/59/35/144365935.db2.gz FAUQRENQESAFCL-ZNMIVQPWSA-N 2 1 340.414 3.110 20 0 EGADMP COc1ccc(-c2cc(C[N@H+](C)CCCn3cc[nH+]c3C)on2)cc1 ZINC000677819299 549337436 /nfs/dbraw/zinc/33/74/36/549337436.db2.gz XBSGNBFXPOLGGW-UHFFFAOYSA-N 2 1 340.427 3.377 20 0 EGADMP COc1ccc(-c2cc(C[N@@H+](C)CCCn3cc[nH+]c3C)on2)cc1 ZINC000677819299 549337440 /nfs/dbraw/zinc/33/74/40/549337440.db2.gz XBSGNBFXPOLGGW-UHFFFAOYSA-N 2 1 340.427 3.377 20 0 EGADMP C[NH+](C/C=C/C[N@@H+](C)CCC1CCOCC1)CCC1CCOCC1 ZINC000120398975 152272479 /nfs/dbraw/zinc/27/24/79/152272479.db2.gz FKJNHPKHRFQSGT-ONEGZZNKSA-N 2 1 338.536 3.040 20 0 EGADMP CCCn1c(C)cc(C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1C ZINC000121623104 152362931 /nfs/dbraw/zinc/36/29/31/152362931.db2.gz BDVBQEASIVJHTI-UHFFFAOYSA-N 2 1 333.520 3.361 20 0 EGADMP CC(C)(C)n1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000192922483 153265668 /nfs/dbraw/zinc/26/56/68/153265668.db2.gz YXSMDNXYGANOCL-SFHVURJKSA-N 2 1 326.488 3.250 20 0 EGADMP CC(C)(C)n1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000192922483 153265672 /nfs/dbraw/zinc/26/56/72/153265672.db2.gz YXSMDNXYGANOCL-SFHVURJKSA-N 2 1 326.488 3.250 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000303182316 154038423 /nfs/dbraw/zinc/03/84/23/154038423.db2.gz KWAJSIHOUMEQGC-WSTZPKSXSA-N 2 1 345.531 3.164 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000303182316 154038429 /nfs/dbraw/zinc/03/84/29/154038429.db2.gz KWAJSIHOUMEQGC-WSTZPKSXSA-N 2 1 345.531 3.164 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000303182316 154038432 /nfs/dbraw/zinc/03/84/32/154038432.db2.gz KWAJSIHOUMEQGC-WSTZPKSXSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@]1(C[NH2+]C2CCC3(CC2)OCCO3)CC[N@@H+](Cc2ccccc2)C1 ZINC000311030609 154144858 /nfs/dbraw/zinc/14/48/58/154144858.db2.gz PXSGTYPEDXBWIG-HXUWFJFHSA-N 2 1 344.499 3.174 20 0 EGADMP [NH3+]CCCOC1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000322076551 154168190 /nfs/dbraw/zinc/16/81/90/154168190.db2.gz OFYZDLUKYNDYHY-UHFFFAOYSA-N 2 1 334.357 3.174 20 0 EGADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCC23CCC3)[C@H](c2ccccc2)C1 ZINC000337402677 154334672 /nfs/dbraw/zinc/33/46/72/154334672.db2.gz QPZXEACHHMUGKT-VQTJNVASSA-N 2 1 327.516 3.288 20 0 EGADMP CCc1cc(OC)ccc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000337528506 154399197 /nfs/dbraw/zinc/39/91/97/154399197.db2.gz BSYBXMISLVNFNQ-UHFFFAOYSA-N 2 1 327.472 3.446 20 0 EGADMP Brc1c[nH+]ccc1NCc1ccccc1C[NH+]1CCCC1 ZINC000339969245 155055167 /nfs/dbraw/zinc/05/51/67/155055167.db2.gz OUXHZABKIGMUAU-UHFFFAOYSA-N 2 1 346.272 3.474 20 0 EGADMP Cc1ccc2nc(C[NH2+]C3CCN(c4cccc(C)[nH+]4)CC3)cn2c1 ZINC000341021840 155125375 /nfs/dbraw/zinc/12/53/75/155125375.db2.gz ZDDHYSAHLWPCCT-UHFFFAOYSA-N 2 1 335.455 3.105 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000348889140 156277297 /nfs/dbraw/zinc/27/72/97/156277297.db2.gz FOVACEVKQBXEDZ-QZTJIDSGSA-N 2 1 345.531 3.060 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000348889140 156277300 /nfs/dbraw/zinc/27/73/00/156277300.db2.gz FOVACEVKQBXEDZ-QZTJIDSGSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc2ncccc2c1 ZINC000349037070 156328267 /nfs/dbraw/zinc/32/82/67/156328267.db2.gz QYKMQQYQMNPXPO-FQEVSTJZSA-N 2 1 340.515 3.083 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000093792344 162027595 /nfs/dbraw/zinc/02/75/95/162027595.db2.gz IWDAGWPDYDXWGB-FPOVZHCZSA-N 2 1 346.515 3.408 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000093792344 162027600 /nfs/dbraw/zinc/02/76/00/162027600.db2.gz IWDAGWPDYDXWGB-FPOVZHCZSA-N 2 1 346.515 3.408 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cnn1C ZINC000248419419 163002920 /nfs/dbraw/zinc/00/29/20/163002920.db2.gz VBLQCBHXVSXCTI-FCXXMXSZSA-N 2 1 338.499 3.290 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(F)ccc1F ZINC000248445034 163005672 /nfs/dbraw/zinc/00/56/72/163005672.db2.gz MIEKCFLHVHMIGC-KBXCAEBGSA-N 2 1 346.421 3.382 20 0 EGADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)s1 ZINC000248455068 163006667 /nfs/dbraw/zinc/00/66/67/163006667.db2.gz RGUKWIBZULQJEJ-CRAIPNDOSA-N 2 1 330.497 3.474 20 0 EGADMP CC1(C)C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C(C)(C)O1 ZINC000248458819 163006763 /nfs/dbraw/zinc/00/67/63/163006763.db2.gz VEEQYGRFUOJDLP-RBUKOAKNSA-N 2 1 346.515 3.079 20 0 EGADMP CCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccnc1 ZINC000248526603 163011478 /nfs/dbraw/zinc/01/14/78/163011478.db2.gz VBEDHZGYSUVCGF-NHCUHLMSSA-N 2 1 339.483 3.279 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)CC[N@@H+]1C ZINC000248563852 163015328 /nfs/dbraw/zinc/01/53/28/163015328.db2.gz OAEIKHZEGRWVLT-ILXRZTDVSA-N 2 1 341.421 3.356 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)CC[N@H+]1C ZINC000248563852 163015330 /nfs/dbraw/zinc/01/53/30/163015330.db2.gz OAEIKHZEGRWVLT-ILXRZTDVSA-N 2 1 341.421 3.356 20 0 EGADMP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000354319234 166002240 /nfs/dbraw/zinc/00/22/40/166002240.db2.gz NTVMRWGCTLFLLC-FQEVSTJZSA-N 2 1 343.515 3.033 20 0 EGADMP COc1ccc2c(c1OC)CC[N@@H+](CCCCn1cc[nH+]c1C)C2 ZINC000336881344 163086735 /nfs/dbraw/zinc/08/67/35/163086735.db2.gz TVNDOKSCYPZECN-UHFFFAOYSA-N 2 1 329.444 3.047 20 0 EGADMP COc1ccc2c(c1OC)CC[N@H+](CCCCn1cc[nH+]c1C)C2 ZINC000336881344 163086738 /nfs/dbraw/zinc/08/67/38/163086738.db2.gz TVNDOKSCYPZECN-UHFFFAOYSA-N 2 1 329.444 3.047 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)ccc(O)c2n1 ZINC000338276231 163203047 /nfs/dbraw/zinc/20/30/47/163203047.db2.gz CJPUOLMFVKPUCA-WMZOPIPTSA-N 2 1 325.456 3.165 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)ccc(O)c2n1 ZINC000338276231 163203050 /nfs/dbraw/zinc/20/30/50/163203050.db2.gz CJPUOLMFVKPUCA-WMZOPIPTSA-N 2 1 325.456 3.165 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)ccc(O)c2n1 ZINC000338276231 163203052 /nfs/dbraw/zinc/20/30/52/163203052.db2.gz CJPUOLMFVKPUCA-WMZOPIPTSA-N 2 1 325.456 3.165 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000338779079 163346172 /nfs/dbraw/zinc/34/61/72/163346172.db2.gz NCSKQKILKMQVMW-FQEVSTJZSA-N 2 1 328.500 3.312 20 0 EGADMP CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000354779399 166029652 /nfs/dbraw/zinc/02/96/52/166029652.db2.gz HHFUPCNYOXGSLU-LJQANCHMSA-N 2 1 348.450 3.071 20 0 EGADMP CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1ccccc1 ZINC000354779399 166029656 /nfs/dbraw/zinc/02/96/56/166029656.db2.gz HHFUPCNYOXGSLU-LJQANCHMSA-N 2 1 348.450 3.071 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)[NH+](CC)CC ZINC000343865083 164052743 /nfs/dbraw/zinc/05/27/43/164052743.db2.gz PTIJADXOIOZGHD-MRXNPFEDSA-N 2 1 325.884 3.461 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000354807565 166037262 /nfs/dbraw/zinc/03/72/62/166037262.db2.gz DSXNFDKSOFBJSK-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000354807565 166037264 /nfs/dbraw/zinc/03/72/64/166037264.db2.gz DSXNFDKSOFBJSK-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000354807565 166037265 /nfs/dbraw/zinc/03/72/65/166037265.db2.gz DSXNFDKSOFBJSK-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000343999180 164079483 /nfs/dbraw/zinc/07/94/83/164079483.db2.gz FJYPQLJYXYHEDC-OALUTQOASA-N 2 1 331.504 3.095 20 0 EGADMP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1nc2ccccc2s1 ZINC000344130029 164109943 /nfs/dbraw/zinc/10/99/43/164109943.db2.gz MMUQMZDOMFFKOI-UHFFFAOYSA-N 2 1 346.544 3.146 20 0 EGADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1nc2ccccc2s1 ZINC000344130029 164109946 /nfs/dbraw/zinc/10/99/46/164109946.db2.gz MMUQMZDOMFFKOI-UHFFFAOYSA-N 2 1 346.544 3.146 20 0 EGADMP COC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000344305606 164151246 /nfs/dbraw/zinc/15/12/46/164151246.db2.gz VMJPPWZYJRNRRZ-MRXNPFEDSA-N 2 1 328.378 3.244 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000344598645 164196208 /nfs/dbraw/zinc/19/62/08/164196208.db2.gz CQXLERFAZWDYBT-FQEVSTJZSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000344694736 164201125 /nfs/dbraw/zinc/20/11/25/164201125.db2.gz DMUAECODEDEIIH-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP c1cnn(-c2cccc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2)c1 ZINC000355206246 166134023 /nfs/dbraw/zinc/13/40/23/166134023.db2.gz LXQDOXXOFSXPBX-GHTZIAJQSA-N 2 1 336.483 3.321 20 0 EGADMP c1cnn(-c2cccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2)c1 ZINC000355206246 166134025 /nfs/dbraw/zinc/13/40/25/166134025.db2.gz LXQDOXXOFSXPBX-GHTZIAJQSA-N 2 1 336.483 3.321 20 0 EGADMP c1cnn(-c2cccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2)c1 ZINC000355206246 166134027 /nfs/dbraw/zinc/13/40/27/166134027.db2.gz LXQDOXXOFSXPBX-GHTZIAJQSA-N 2 1 336.483 3.321 20 0 EGADMP C[N@H+](CCCCOC(C)(C)C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000355255779 166147876 /nfs/dbraw/zinc/14/78/76/166147876.db2.gz FYOBSCUIEFRGJZ-OAQYLSRUSA-N 2 1 348.531 3.151 20 0 EGADMP C[N@@H+](CCCCOC(C)(C)C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000355255779 166147878 /nfs/dbraw/zinc/14/78/78/166147878.db2.gz FYOBSCUIEFRGJZ-OAQYLSRUSA-N 2 1 348.531 3.151 20 0 EGADMP C[NH+](CCCCOC(C)(C)C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000355255779 166147881 /nfs/dbraw/zinc/14/78/81/166147881.db2.gz FYOBSCUIEFRGJZ-OAQYLSRUSA-N 2 1 348.531 3.151 20 0 EGADMP C[NH+](CCCCOC(C)(C)C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000355255779 166147885 /nfs/dbraw/zinc/14/78/85/166147885.db2.gz FYOBSCUIEFRGJZ-OAQYLSRUSA-N 2 1 348.531 3.151 20 0 EGADMP CC[C@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+](C)C ZINC000359176578 167088692 /nfs/dbraw/zinc/08/86/92/167088692.db2.gz OKKZWSKUTMGBEZ-VQIMIIECSA-N 2 1 331.504 3.017 20 0 EGADMP CCOc1cc2c(cc1OCC)C[N@@H+](CCC1CC[NH2+]CC1)CC2 ZINC000359193416 167091842 /nfs/dbraw/zinc/09/18/42/167091842.db2.gz REGNZAMETMDTTL-UHFFFAOYSA-N 2 1 332.488 3.232 20 0 EGADMP CCOC(=O)c1c[nH+]ccc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000359520900 167178102 /nfs/dbraw/zinc/17/81/02/167178102.db2.gz ZZXZJDZBMPYQAU-SJORKVTESA-N 2 1 345.487 3.349 20 0 EGADMP CCOC(=O)c1c[nH+]ccc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000359520900 167178104 /nfs/dbraw/zinc/17/81/04/167178104.db2.gz ZZXZJDZBMPYQAU-SJORKVTESA-N 2 1 345.487 3.349 20 0 EGADMP COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000360236040 167278241 /nfs/dbraw/zinc/27/82/41/167278241.db2.gz YRAOWYNXPFVRNS-UYAOXDASSA-N 2 1 334.504 3.219 20 0 EGADMP COC[C@@H](CC(C)C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000360587950 167364137 /nfs/dbraw/zinc/36/41/37/167364137.db2.gz FXERJOXERPRTHP-YLJYHZDGSA-N 2 1 334.504 3.058 20 0 EGADMP COC[C@@H](CC(C)C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000360587950 167364140 /nfs/dbraw/zinc/36/41/40/167364140.db2.gz FXERJOXERPRTHP-YLJYHZDGSA-N 2 1 334.504 3.058 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCSCc1ccccc1 ZINC000366833340 168146639 /nfs/dbraw/zinc/14/66/39/168146639.db2.gz KMCHPGXNCATZBL-GUDVDZBRSA-N 2 1 334.529 3.103 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(C(F)F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000366836506 168146785 /nfs/dbraw/zinc/14/67/85/168146785.db2.gz NITUJYBEBXYOGR-YJBOKZPZSA-N 2 1 337.458 3.082 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000366836506 168146787 /nfs/dbraw/zinc/14/67/87/168146787.db2.gz NITUJYBEBXYOGR-YJBOKZPZSA-N 2 1 337.458 3.082 20 0 EGADMP O[C@H](CCc1ccccc1)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000273073061 266971682 /nfs/dbraw/zinc/97/16/82/266971682.db2.gz HKZKLHQPKWHDPK-JOCHJYFZSA-N 2 1 338.495 3.234 20 0 EGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000274758226 267282170 /nfs/dbraw/zinc/28/21/70/267282170.db2.gz CUJOZDLWFXOVSM-KRWDZBQOSA-N 2 1 328.859 3.317 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000274758226 267282174 /nfs/dbraw/zinc/28/21/74/267282174.db2.gz CUJOZDLWFXOVSM-KRWDZBQOSA-N 2 1 328.859 3.317 20 0 EGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275563422 267381594 /nfs/dbraw/zinc/38/15/94/267381594.db2.gz NZTKFYYVOVTCPK-ZIAGYGMSSA-N 2 1 346.862 3.106 20 0 EGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CCC2 ZINC000278562266 268040641 /nfs/dbraw/zinc/04/06/41/268040641.db2.gz PDIIBUDVZBFAOA-JXFKEZNVSA-N 2 1 332.488 3.163 20 0 EGADMP C[C@@H](CCn1cccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000158934552 274211723 /nfs/dbraw/zinc/21/17/23/274211723.db2.gz FMSDZHJUOBYVNG-BJLQDIEVSA-N 2 1 326.488 3.304 20 0 EGADMP C[C@@H](CCn1cccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000158934552 274211725 /nfs/dbraw/zinc/21/17/25/274211725.db2.gz FMSDZHJUOBYVNG-BJLQDIEVSA-N 2 1 326.488 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000154465198 274339827 /nfs/dbraw/zinc/33/98/27/274339827.db2.gz CSKYOCFEHLBGTE-ZRGWGRIASA-N 2 1 326.488 3.119 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000181250127 274340159 /nfs/dbraw/zinc/34/01/59/274340159.db2.gz JCGUMFGZXSQZQG-KYZVSKTDSA-N 2 1 339.886 3.376 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@](C)([NH3+])c2ccccc2)c1 ZINC000192522920 275224277 /nfs/dbraw/zinc/22/42/77/275224277.db2.gz RAACSUWNAKUBKK-OAQYLSRUSA-N 2 1 339.483 3.017 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(O)c1 ZINC000194836467 275227673 /nfs/dbraw/zinc/22/76/73/275227673.db2.gz FTPHUGHPHDCREC-MRXNPFEDSA-N 2 1 326.440 3.075 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3cc(F)ccc32)CCCO1 ZINC000278687955 275265780 /nfs/dbraw/zinc/26/57/80/275265780.db2.gz UQWQBACVBSNTKN-MAUKXSAKSA-N 2 1 336.451 3.130 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCOc3cc(F)ccc32)CCCO1 ZINC000278687955 275265781 /nfs/dbraw/zinc/26/57/81/275265781.db2.gz UQWQBACVBSNTKN-MAUKXSAKSA-N 2 1 336.451 3.130 20 0 EGADMP O[C@H](Cc1ccccc1)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278770155 275273200 /nfs/dbraw/zinc/27/32/00/275273200.db2.gz CITBMDZFXHQMTG-HXUWFJFHSA-N 2 1 339.483 3.002 20 0 EGADMP Fc1ccc([C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c2ccccc2)nc1 ZINC000278987117 275293738 /nfs/dbraw/zinc/29/37/38/275293738.db2.gz PQMPSJOMKLOKMZ-YWZLYKJASA-N 2 1 336.414 3.359 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H](OC)c2ccccc2)[C@@H](C)C1 ZINC000279736223 275354824 /nfs/dbraw/zinc/35/48/24/275354824.db2.gz ODSIRJVUEVFFSM-YHELAOLJSA-N 2 1 348.531 3.489 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000286866695 276051782 /nfs/dbraw/zinc/05/17/82/276051782.db2.gz BNALISFYXXGUNB-YUXAGFNASA-N 2 1 338.495 3.090 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(C)c3ncccc3c2)C1 ZINC000346219557 276100440 /nfs/dbraw/zinc/10/04/40/276100440.db2.gz MYSOBYPUGNCLIP-HXUWFJFHSA-N 2 1 341.499 3.476 20 0 EGADMP COc1ccncc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000287971228 276173387 /nfs/dbraw/zinc/17/33/87/276173387.db2.gz ZKMNLQRFOCSBKV-AEFFLSMTSA-N 2 1 325.456 3.090 20 0 EGADMP COc1ccncc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287971228 276173388 /nfs/dbraw/zinc/17/33/88/276173388.db2.gz ZKMNLQRFOCSBKV-AEFFLSMTSA-N 2 1 325.456 3.090 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000151101529 276263425 /nfs/dbraw/zinc/26/34/25/276263425.db2.gz RAVWHMPNAXHMPI-JKSUJKDBSA-N 2 1 344.503 3.353 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000289269242 276313609 /nfs/dbraw/zinc/31/36/09/276313609.db2.gz OYCODPOIFCFCTL-QGZVFWFLSA-N 2 1 345.487 3.114 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1nccc2ccccc21 ZINC000289615511 276366852 /nfs/dbraw/zinc/36/68/52/276366852.db2.gz GOEQZNUMDFEAHF-IRXDYDNUSA-N 2 1 339.483 3.386 20 0 EGADMP CC(C)n1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)nn1 ZINC000289731711 276385240 /nfs/dbraw/zinc/38/52/40/276385240.db2.gz MQGWOPOGTPKMEL-UHFFFAOYSA-N 2 1 341.503 3.381 20 0 EGADMP COc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000359461818 277377611 /nfs/dbraw/zinc/37/76/11/277377611.db2.gz UVAFQMOTSCMQJH-ROUUACIJSA-N 2 1 338.451 3.022 20 0 EGADMP CC[N@H+](CC(=O)N[C@H](CC(C)C)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000345190395 279056432 /nfs/dbraw/zinc/05/64/32/279056432.db2.gz PCNJDIDGSDWHLR-VQTJNVASSA-N 2 1 345.531 3.354 20 0 EGADMP CC[N@@H+](CC(=O)N[C@H](CC(C)C)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000345190395 279056433 /nfs/dbraw/zinc/05/64/33/279056433.db2.gz PCNJDIDGSDWHLR-VQTJNVASSA-N 2 1 345.531 3.354 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1)C(C)C ZINC000262755801 279234692 /nfs/dbraw/zinc/23/46/92/279234692.db2.gz OTUWDNZWNFTZNC-QFBILLFUSA-N 2 1 331.504 3.259 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000354266103 279266834 /nfs/dbraw/zinc/26/68/34/279266834.db2.gz MPNIIGATFJBCLP-UXHICEINSA-N 2 1 343.515 3.123 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000236654987 279384455 /nfs/dbraw/zinc/38/44/55/279384455.db2.gz IGRUWDITJPYPEF-QZTJIDSGSA-N 2 1 345.531 3.169 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000359941602 290053307 /nfs/dbraw/zinc/05/33/07/290053307.db2.gz LCOIVUDDTWAIOK-KKXDTOCCSA-N 2 1 327.472 3.194 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000359941602 290053309 /nfs/dbraw/zinc/05/33/09/290053309.db2.gz LCOIVUDDTWAIOK-KKXDTOCCSA-N 2 1 327.472 3.194 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371341078 290247024 /nfs/dbraw/zinc/24/70/24/290247024.db2.gz LEQBOBVHXLAXIV-MDZRGWNJSA-N 2 1 335.923 3.359 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371341078 290247029 /nfs/dbraw/zinc/24/70/29/290247029.db2.gz LEQBOBVHXLAXIV-MDZRGWNJSA-N 2 1 335.923 3.359 20 0 EGADMP COc1ccc(CC[C@H]2CCCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1OC ZINC000261950795 295122431 /nfs/dbraw/zinc/12/24/31/295122431.db2.gz NYPNJNANBAVHIB-RBUKOAKNSA-N 2 1 346.515 3.491 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCCN2CCCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000358717942 297284001 /nfs/dbraw/zinc/28/40/01/297284001.db2.gz GRFFHGJSQBKSOO-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCCN2CCCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC000358717942 297284003 /nfs/dbraw/zinc/28/40/03/297284003.db2.gz GRFFHGJSQBKSOO-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414115666 309061802 /nfs/dbraw/zinc/06/18/02/309061802.db2.gz NILASRACOXCXMX-HOTGVXAUSA-N 2 1 344.528 3.097 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@@H]1CCCO1 ZINC000248410138 308002463 /nfs/dbraw/zinc/00/24/63/308002463.db2.gz GSGQJGBMUOWQDG-ADAARDCZSA-N 2 1 328.500 3.444 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NC1CCC(C)CC1 ZINC000248614043 308007389 /nfs/dbraw/zinc/00/73/89/308007389.db2.gz YJYHICKRKLVNPJ-VOUKYHDCSA-N 2 1 349.563 3.312 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)NC1CCC(C)CC1 ZINC000248614043 308007392 /nfs/dbraw/zinc/00/73/92/308007392.db2.gz YJYHICKRKLVNPJ-VOUKYHDCSA-N 2 1 349.563 3.312 20 0 EGADMP OCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCCC1 ZINC000248621773 308007549 /nfs/dbraw/zinc/00/75/49/308007549.db2.gz ASBCBBHCTYRZLF-VAMGGRTRSA-N 2 1 328.500 3.039 20 0 EGADMP CC[C@@]1(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000248726328 308010076 /nfs/dbraw/zinc/01/00/76/308010076.db2.gz NDJKXXIUBMSGEX-UTKZUKDTSA-N 2 1 343.515 3.209 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000252643766 308032477 /nfs/dbraw/zinc/03/24/77/308032477.db2.gz HVJYAKLHDQNPAD-RXVVDRJESA-N 3 1 329.532 3.492 20 0 EGADMP CC[N@@H+]1CC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000252643766 308032478 /nfs/dbraw/zinc/03/24/78/308032478.db2.gz HVJYAKLHDQNPAD-RXVVDRJESA-N 2 1 329.532 3.492 20 0 EGADMP CC[N@H+]1CC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000252643766 308032479 /nfs/dbraw/zinc/03/24/79/308032479.db2.gz HVJYAKLHDQNPAD-RXVVDRJESA-N 2 1 329.532 3.492 20 0 EGADMP CCN1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000252643766 308032480 /nfs/dbraw/zinc/03/24/80/308032480.db2.gz HVJYAKLHDQNPAD-RXVVDRJESA-N 2 1 329.532 3.492 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000262663540 308065018 /nfs/dbraw/zinc/06/50/18/308065018.db2.gz HTDAKOWFQZINSI-RCCFBDPRSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H](CC(N)=O)c3ccccc3)CC2)C1 ZINC000293515047 308137942 /nfs/dbraw/zinc/13/79/42/308137942.db2.gz ANUVEMXVTYEUKE-FFZOFVMBSA-N 2 1 343.515 3.236 20 0 EGADMP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(Cl)c1OC ZINC000293711895 308154998 /nfs/dbraw/zinc/15/49/98/308154998.db2.gz MWPXEBFCSHTUCE-UMVBOHGHSA-N 2 1 340.895 3.218 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCCCN[C@H](c1cccs1)c1nnc[nH]1 ZINC000293716436 308155497 /nfs/dbraw/zinc/15/54/97/308155497.db2.gz MHADAFACSCCCLF-GOEBONIOSA-N 2 1 333.505 3.200 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCN[C@H](c1cccs1)c1nnc[nH]1 ZINC000293716436 308155498 /nfs/dbraw/zinc/15/54/98/308155498.db2.gz MHADAFACSCCCLF-GOEBONIOSA-N 2 1 333.505 3.200 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCCCN[C@@H](c1cccs1)c1nnc[nH]1 ZINC000293716447 308155565 /nfs/dbraw/zinc/15/55/65/308155565.db2.gz MHADAFACSCCCLF-ZBFHGGJFSA-N 2 1 333.505 3.200 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCN[C@@H](c1cccs1)c1nnc[nH]1 ZINC000293716447 308155566 /nfs/dbraw/zinc/15/55/66/308155566.db2.gz MHADAFACSCCCLF-ZBFHGGJFSA-N 2 1 333.505 3.200 20 0 EGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293764707 308159851 /nfs/dbraw/zinc/15/98/51/308159851.db2.gz ROINLGGXDAWFND-NSHGMRRFSA-N 2 1 345.531 3.039 20 0 EGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000294063618 308186947 /nfs/dbraw/zinc/18/69/47/308186947.db2.gz HIRYZBGTKXGIEB-LPHOPBHVSA-N 2 1 348.487 3.015 20 0 EGADMP CC[N@@H+](Cc1cnn(CC(F)F)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000294076097 308188167 /nfs/dbraw/zinc/18/81/67/308188167.db2.gz YRSMITAHUZYBBQ-UHFFFAOYSA-N 2 1 336.430 3.232 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000295338957 308316115 /nfs/dbraw/zinc/31/61/15/308316115.db2.gz BEFCSEZCAZDERL-INIZCTEOSA-N 2 1 339.474 3.076 20 0 EGADMP CC[N@H+]1CC[C@H](NCc2c(Cl)cccc2-n2ccnc2)[C@H](C)C1 ZINC000296070526 308390561 /nfs/dbraw/zinc/39/05/61/308390561.db2.gz PVWUFSQXZJATBL-PBHICJAKSA-N 3 1 332.879 3.346 20 0 EGADMP Cc1cccc([C@@H]2CCCC[N@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)c1C ZINC000414700382 309096086 /nfs/dbraw/zinc/09/60/86/309096086.db2.gz GGZHAHRQICUXBR-ICSRJNTNSA-N 2 1 343.515 3.028 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)CC[NH2+]1 ZINC000414704667 309096319 /nfs/dbraw/zinc/09/63/19/309096319.db2.gz MQUSUXNCPOXOMJ-IAGOWNOFSA-N 2 1 326.488 3.329 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706327 309096445 /nfs/dbraw/zinc/09/64/45/309096445.db2.gz LPRKLBVZWHKPOV-ZHHKINOHSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706327 309096446 /nfs/dbraw/zinc/09/64/46/309096446.db2.gz LPRKLBVZWHKPOV-ZHHKINOHSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706327 309096447 /nfs/dbraw/zinc/09/64/47/309096447.db2.gz LPRKLBVZWHKPOV-ZHHKINOHSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H](CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706327 309096448 /nfs/dbraw/zinc/09/64/48/309096448.db2.gz LPRKLBVZWHKPOV-ZHHKINOHSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H](CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706327 309096449 /nfs/dbraw/zinc/09/64/49/309096449.db2.gz LPRKLBVZWHKPOV-ZHHKINOHSA-N 2 1 341.543 3.361 20 0 EGADMP COc1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414715023 309096854 /nfs/dbraw/zinc/09/68/54/309096854.db2.gz WYOYRXUZSLVKAZ-ZHALLVOQSA-N 2 1 332.488 3.064 20 0 EGADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2CCC2CCCCC2)C1 ZINC000414716139 309097094 /nfs/dbraw/zinc/09/70/94/309097094.db2.gz ZJTNLISIPDONDF-MOPGFXCFSA-N 2 1 335.536 3.009 20 0 EGADMP Cc1cc(Br)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000414663917 309094299 /nfs/dbraw/zinc/09/42/99/309094299.db2.gz BTQRVJRPJWYHLY-GMXVVIOVSA-N 2 1 329.307 3.378 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cnc(-c3ccsc3)s2)CC12CCOCC2 ZINC000414775268 309100327 /nfs/dbraw/zinc/10/03/27/309100327.db2.gz GJLVMIDRNLJTNB-AWEZNQCLSA-N 2 1 349.525 3.059 20 0 EGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OCC ZINC000414779859 309100601 /nfs/dbraw/zinc/10/06/01/309100601.db2.gz KSFJJURLLFIIHF-ROUUACIJSA-N 2 1 332.488 3.306 20 0 EGADMP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414779598 309100693 /nfs/dbraw/zinc/10/06/93/309100693.db2.gz KMXFLWLXCKJOJH-CVEARBPZSA-N 2 1 342.405 3.449 20 0 EGADMP c1cnc(Oc2ccc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2)cn1 ZINC000414784591 309100971 /nfs/dbraw/zinc/10/09/71/309100971.db2.gz RMNGMJCIGSVXBB-MSOLQXFVSA-N 2 1 338.455 3.090 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1OC(C)C ZINC000414789774 309101503 /nfs/dbraw/zinc/10/15/03/309101503.db2.gz YYSGDDOBGXOBEO-DLBZAZTESA-N 2 1 332.488 3.304 20 0 EGADMP Clc1ccc2[nH+]ccc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000301407373 308699276 /nfs/dbraw/zinc/69/92/76/308699276.db2.gz VRHPSCLEOZUDMW-HNNXBMFYSA-N 2 1 345.874 3.437 20 0 EGADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413166326 309019211 /nfs/dbraw/zinc/01/92/11/309019211.db2.gz KFEKTOKKVBZZLD-UXHICEINSA-N 2 1 341.499 3.029 20 0 EGADMP [NH3+]C1(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCCC1 ZINC000414849000 309105492 /nfs/dbraw/zinc/10/54/92/309105492.db2.gz WXSASFXJJHKIFU-SLFFLAALSA-N 2 1 327.516 3.148 20 0 EGADMP [NH3+]C1(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCCCC1 ZINC000414849005 309105547 /nfs/dbraw/zinc/10/55/47/309105547.db2.gz WXSASFXJJHKIFU-VAMGGRTRSA-N 2 1 327.516 3.148 20 0 EGADMP COc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1OCc1ccccc1 ZINC000414870210 309106419 /nfs/dbraw/zinc/10/64/19/309106419.db2.gz BOKPUSLDPUXTHN-UHFFFAOYSA-N 2 1 326.440 3.245 20 0 EGADMP C[C@@]1(C[NH2+]Cc2ccccc2OCc2ccccn2)CCC[NH2+]C1 ZINC000414896419 309107849 /nfs/dbraw/zinc/10/78/49/309107849.db2.gz BOYICQTUJHTFIL-HXUWFJFHSA-N 2 1 325.456 3.140 20 0 EGADMP c1ccc2nc(N3CCCCC3)c(C[NH2+]CC[C@H]3CCC[NH2+]3)cc2c1 ZINC000414906981 309108443 /nfs/dbraw/zinc/10/84/43/309108443.db2.gz QEXUQAVBAIWTTC-LJQANCHMSA-N 2 1 338.499 3.457 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414909599 309108709 /nfs/dbraw/zinc/10/87/09/309108709.db2.gz SYNMVCAMFXZSJZ-QGZVFWFLSA-N 2 1 326.488 3.402 20 0 EGADMP C[NH+](C)Cc1cnc(CN[C@H](C[NH3+])c2ccc3ccccc3c2)s1 ZINC000414942285 309110378 /nfs/dbraw/zinc/11/03/78/309110378.db2.gz MKHXFFPPWWJRAO-GOSISDBHSA-N 2 1 340.496 3.148 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC[NH2+]1 ZINC000414950944 309111009 /nfs/dbraw/zinc/11/10/09/309111009.db2.gz PGBGNGUYXOSBBZ-GXSJLCMTSA-N 2 1 349.219 3.281 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCC[C@@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000414982047 309112762 /nfs/dbraw/zinc/11/27/62/309112762.db2.gz YEZASUOQTCXKLM-BURNTYAHSA-N 3 1 327.516 3.019 20 0 EGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000414998506 309113503 /nfs/dbraw/zinc/11/35/03/309113503.db2.gz QVPDWKVBBNZBEI-YEJQALKXSA-N 3 1 339.527 3.003 20 0 EGADMP Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3CC[NH2+]CC3(F)F)s2)o1 ZINC000415005592 309113778 /nfs/dbraw/zinc/11/37/78/309113778.db2.gz PGXGNCYCSCSLJP-NSHDSACASA-N 2 1 327.400 3.046 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)s2)cn1 ZINC000415032819 309115407 /nfs/dbraw/zinc/11/54/07/309115407.db2.gz AXEMTXOFJWUFBI-WMLDXEAASA-N 2 1 330.501 3.113 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1OC(F)F ZINC000415057071 309117016 /nfs/dbraw/zinc/11/70/16/309117016.db2.gz TVDUWULUPLJHRJ-GJZGRUSLSA-N 2 1 340.414 3.261 20 0 EGADMP [NH3+]C[C@@H](NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000415071234 309118350 /nfs/dbraw/zinc/11/83/50/309118350.db2.gz WDYZWYDSZPMXNA-LJQANCHMSA-N 2 1 335.923 3.412 20 0 EGADMP COc1ccc(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1OC ZINC000415086064 309119267 /nfs/dbraw/zinc/11/92/67/309119267.db2.gz ROZJQZOMJWHGLG-RTBURBONSA-N 2 1 340.467 3.329 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415100361 309120335 /nfs/dbraw/zinc/12/03/35/309120335.db2.gz ACWRCSCWYKCYKN-OXQOHEQNSA-N 2 1 340.515 3.273 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1OC ZINC000415121669 309121655 /nfs/dbraw/zinc/12/16/55/309121655.db2.gz ZDKYVGADOMUMNV-ZWKOTPCHSA-N 2 1 326.440 3.287 20 0 EGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000415124518 309122107 /nfs/dbraw/zinc/12/21/07/309122107.db2.gz KKPWNCSEHACBTB-DOTOQJQBSA-N 2 1 347.484 3.121 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC000415129288 309122535 /nfs/dbraw/zinc/12/25/35/309122535.db2.gz PDVWGSMWFQTIRO-YPMHNXCESA-N 2 1 334.357 3.184 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC000415129288 309122536 /nfs/dbraw/zinc/12/25/36/309122536.db2.gz PDVWGSMWFQTIRO-YPMHNXCESA-N 2 1 334.357 3.184 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC000415129283 309122543 /nfs/dbraw/zinc/12/25/43/309122543.db2.gz PDVWGSMWFQTIRO-AAEUAGOBSA-N 2 1 334.357 3.184 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC000415129283 309122544 /nfs/dbraw/zinc/12/25/44/309122544.db2.gz PDVWGSMWFQTIRO-AAEUAGOBSA-N 2 1 334.357 3.184 20 0 EGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000415136747 309123189 /nfs/dbraw/zinc/12/31/89/309123189.db2.gz RVBQFZBKNRBOPW-UHFFFAOYSA-N 2 1 346.446 3.455 20 0 EGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000415136747 309123190 /nfs/dbraw/zinc/12/31/90/309123190.db2.gz RVBQFZBKNRBOPW-UHFFFAOYSA-N 2 1 346.446 3.455 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000415923427 309148995 /nfs/dbraw/zinc/14/89/95/309148995.db2.gz UZEPZGWXKHYHGF-IBGZPJMESA-N 2 1 346.519 3.428 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415982699 309152726 /nfs/dbraw/zinc/15/27/26/309152726.db2.gz XQXCROINRFFZBO-DNVCBOLYSA-N 2 1 338.455 3.102 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)n(C)n1 ZINC000417868544 309225885 /nfs/dbraw/zinc/22/58/85/309225885.db2.gz KFXDSBGDBKKGQC-INIZCTEOSA-N 2 1 326.488 3.250 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000417908494 309228000 /nfs/dbraw/zinc/22/80/00/309228000.db2.gz BRCVUSJLRZNHBP-VQIMIIECSA-N 2 1 346.519 3.016 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000417908487 309228019 /nfs/dbraw/zinc/22/80/19/309228019.db2.gz BRCVUSJLRZNHBP-APWZRJJASA-N 2 1 346.519 3.016 20 0 EGADMP CCCNC(=O)CCC[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000419134977 309260724 /nfs/dbraw/zinc/26/07/24/309260724.db2.gz JZNRIDZXCCFKPZ-GOSISDBHSA-N 2 1 345.531 3.457 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H](c3ccccc3OC)C2)cc1 ZINC000420294925 309279912 /nfs/dbraw/zinc/27/99/12/309279912.db2.gz BNAIYEIHWVLBID-QZTJIDSGSA-N 2 1 340.467 3.236 20 0 EGADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CC1(c2ccc(Br)cc2)CC1 ZINC000420301578 309280514 /nfs/dbraw/zinc/28/05/14/309280514.db2.gz LMLHYXXDQSBTAT-CQSZACIVSA-N 2 1 337.305 3.412 20 0 EGADMP CC[N@@H+](CCOc1cccc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000420313107 309281155 /nfs/dbraw/zinc/28/11/55/309281155.db2.gz PBIVEVKXHOUNEE-OAHLLOKOSA-N 2 1 341.293 3.292 20 0 EGADMP Cc1ccc(-c2cc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000420321246 309282194 /nfs/dbraw/zinc/28/21/94/309282194.db2.gz COWOYUJLAYVRPZ-MSOLQXFVSA-N 2 1 325.456 3.472 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H](c3nc(C)cs3)C2)cc1 ZINC000420327344 309282307 /nfs/dbraw/zinc/28/23/07/309282307.db2.gz YOIKMMDXBMERTB-DLBZAZTESA-N 2 1 345.512 3.382 20 0 EGADMP Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420328920 309282543 /nfs/dbraw/zinc/28/25/43/309282543.db2.gz NLSAXYVTTZXJHH-JKSUJKDBSA-N 2 1 329.419 3.302 20 0 EGADMP CC(C)(C)c1cccc(OCC[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420327665 309282635 /nfs/dbraw/zinc/28/26/35/309282635.db2.gz LQVXGFLJHCBMEN-SFHVURJKSA-N 2 1 346.515 3.050 20 0 EGADMP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331556 309282778 /nfs/dbraw/zinc/28/27/78/309282778.db2.gz CCXAPECNFDPEAZ-RTBURBONSA-N 2 1 343.515 3.071 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420336999 309283028 /nfs/dbraw/zinc/28/30/28/309283028.db2.gz JFMHXDANNLPYCN-JKSUJKDBSA-N 2 1 349.906 3.217 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420336999 309283029 /nfs/dbraw/zinc/28/30/29/309283029.db2.gz JFMHXDANNLPYCN-JKSUJKDBSA-N 2 1 349.906 3.217 20 0 EGADMP Cc1cc(OCC[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1C(C)C ZINC000420337253 309283087 /nfs/dbraw/zinc/28/30/87/309283087.db2.gz WQERSIIECNAJRT-GOSISDBHSA-N 2 1 346.515 3.185 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420344294 309283430 /nfs/dbraw/zinc/28/34/30/309283430.db2.gz SOJLOBKIAUFLOI-BBRMVZONSA-N 2 1 335.879 3.131 20 0 EGADMP CC(C)Cc1ccc([C@H](C)NC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420353296 309283743 /nfs/dbraw/zinc/28/37/43/309283743.db2.gz BRIXTLULCZNEJV-QFBILLFUSA-N 2 1 345.531 3.040 20 0 EGADMP CCN(C(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)c1cccc2ccccc21 ZINC000420370647 309284785 /nfs/dbraw/zinc/28/47/85/309284785.db2.gz CQRNXXKBWYXXJD-SJLPKXTDSA-N 2 1 339.483 3.109 20 0 EGADMP CCN(C(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)c1cccc2ccccc21 ZINC000420370647 309284786 /nfs/dbraw/zinc/28/47/86/309284786.db2.gz CQRNXXKBWYXXJD-SJLPKXTDSA-N 2 1 339.483 3.109 20 0 EGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000420377005 309284955 /nfs/dbraw/zinc/28/49/55/309284955.db2.gz KKRSVOFKUHUTQT-RDTXWAMCSA-N 2 1 347.484 3.121 20 0 EGADMP FC(F)Oc1cccc([C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)c1 ZINC000420382888 309285574 /nfs/dbraw/zinc/28/55/74/309285574.db2.gz YYTMPQZAQSTNIT-KRWDZBQOSA-N 2 1 340.414 3.051 20 0 EGADMP C[N@H+](CCc1cccs1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420919241 309300990 /nfs/dbraw/zinc/30/09/90/309300990.db2.gz YPJXOAFPWDNSLU-UHFFFAOYSA-N 2 1 330.497 3.255 20 0 EGADMP C[N@@H+](CCc1cccs1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420919241 309300991 /nfs/dbraw/zinc/30/09/91/309300991.db2.gz YPJXOAFPWDNSLU-UHFFFAOYSA-N 2 1 330.497 3.255 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](CC(F)(F)F)C2)CC1 ZINC000420943675 309303088 /nfs/dbraw/zinc/30/30/88/309303088.db2.gz ILYNJPWWBPKCBC-INIZCTEOSA-N 2 1 335.458 3.067 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccccc3Cl)CC2)CC1 ZINC000420978061 309305252 /nfs/dbraw/zinc/30/52/52/309305252.db2.gz IRPSKPWTTMGIFA-UHFFFAOYSA-N 2 1 335.923 3.332 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3ccc(F)cc3)CC2)CC1 ZINC000420981254 309305771 /nfs/dbraw/zinc/30/57/71/309305771.db2.gz MWSXXNLPZSFHMT-KRWDZBQOSA-N 2 1 333.495 3.379 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(F)ccc3C)CC2)CC1 ZINC000420979178 309305802 /nfs/dbraw/zinc/30/58/02/309305802.db2.gz JYEBWHQFDCIWRI-UHFFFAOYSA-N 2 1 333.495 3.126 20 0 EGADMP Cc1cc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc(C)n1 ZINC000421576026 309330478 /nfs/dbraw/zinc/33/04/78/309330478.db2.gz LKHRZFGNHRBHTG-LJQANCHMSA-N 2 1 341.430 3.118 20 0 EGADMP Cc1cc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc(C)n1 ZINC000421576026 309330479 /nfs/dbraw/zinc/33/04/79/309330479.db2.gz LKHRZFGNHRBHTG-LJQANCHMSA-N 2 1 341.430 3.118 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccncc1Cl ZINC000421834395 309342336 /nfs/dbraw/zinc/34/23/36/309342336.db2.gz CFXBQMYKBUJVOH-PBHICJAKSA-N 2 1 345.874 3.152 20 0 EGADMP COc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c(OC)c1OC ZINC000422694701 309363391 /nfs/dbraw/zinc/36/33/91/309363391.db2.gz OHPUPBLZRGXDJX-ZBFHGGJFSA-N 2 1 336.476 3.113 20 0 EGADMP COc1ccccc1[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])[NH+]1CCCCC1 ZINC000422719155 309364811 /nfs/dbraw/zinc/36/48/11/309364811.db2.gz XQISEMJRPPHEHM-SXLOBPIMSA-N 2 1 345.531 3.329 20 0 EGADMP CC[C@H](NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422724014 309365166 /nfs/dbraw/zinc/36/51/66/309365166.db2.gz UAWYVMNSORETCB-OALUTQOASA-N 2 1 337.458 3.049 20 0 EGADMP COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422761344 309366940 /nfs/dbraw/zinc/36/69/40/309366940.db2.gz HNQFQALFCBTRDL-BRWVUGGUSA-N 2 1 348.487 3.113 20 0 EGADMP CN(C)C1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000422766704 309367349 /nfs/dbraw/zinc/36/73/49/309367349.db2.gz XPDAABNKLOXNDR-RXVVDRJESA-N 2 1 343.515 3.096 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[N@@H+](C)Cc1ccccc1 ZINC000422783384 309368025 /nfs/dbraw/zinc/36/80/25/309368025.db2.gz KXXBEJOQYGCGPX-GHTZIAJQSA-N 2 1 325.500 3.057 20 0 EGADMP c1cc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc(C[NH+]2CCCC2)c1 ZINC000422812273 309369794 /nfs/dbraw/zinc/36/97/94/309369794.db2.gz WCALMHXBEJGNNV-PCCBWWKXSA-N 2 1 327.516 3.293 20 0 EGADMP CC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422812279 309369811 /nfs/dbraw/zinc/36/98/11/309369811.db2.gz WCZHHEPLUQTJOU-YUMYIRISSA-N 2 1 341.543 3.334 20 0 EGADMP CC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422812279 309369812 /nfs/dbraw/zinc/36/98/12/309369812.db2.gz WCZHHEPLUQTJOU-YUMYIRISSA-N 2 1 341.543 3.334 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)cc2)C1 ZINC000422859342 309372435 /nfs/dbraw/zinc/37/24/35/309372435.db2.gz JUXDESFOICQSHZ-LQWHRVPQSA-N 3 1 329.532 3.396 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000422895396 309374839 /nfs/dbraw/zinc/37/48/39/309374839.db2.gz VWDSSMOHXLVQMZ-RDGPPVDQSA-N 3 1 329.532 3.252 20 0 EGADMP C[C@H](NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000422895396 309374840 /nfs/dbraw/zinc/37/48/40/309374840.db2.gz VWDSSMOHXLVQMZ-RDGPPVDQSA-N 2 1 329.532 3.252 20 0 EGADMP C[C@H](NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000422895396 309374841 /nfs/dbraw/zinc/37/48/41/309374841.db2.gz VWDSSMOHXLVQMZ-RDGPPVDQSA-N 2 1 329.532 3.252 20 0 EGADMP CC(C)[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000422942841 309377284 /nfs/dbraw/zinc/37/72/84/309377284.db2.gz QGNMRBOCGCNYQG-YYWHXJBOSA-N 2 1 329.532 3.047 20 0 EGADMP CC(C)[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000422942841 309377285 /nfs/dbraw/zinc/37/72/85/309377285.db2.gz QGNMRBOCGCNYQG-YYWHXJBOSA-N 2 1 329.532 3.047 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)c2ccccc21 ZINC000422959656 309378297 /nfs/dbraw/zinc/37/82/97/309378297.db2.gz TURFQNMSQNCZQY-WOJBJXKFSA-N 2 1 335.451 3.043 20 0 EGADMP COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c2ccccc2n1 ZINC000423003590 309380446 /nfs/dbraw/zinc/38/04/46/309380446.db2.gz IBVZNCOGEXFODO-FOIQADDNSA-N 2 1 335.451 3.292 20 0 EGADMP COC[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccc(F)c(F)c1 ZINC000423018236 309381178 /nfs/dbraw/zinc/38/11/78/309381178.db2.gz QLOKWMVOFFOPQT-KZULUSFZSA-N 2 1 335.398 3.165 20 0 EGADMP C[C@H](NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000423022483 309381567 /nfs/dbraw/zinc/38/15/67/309381567.db2.gz HTBKJNOQPHJDDH-GGBBIFEXSA-N 2 1 339.886 3.202 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000423022483 309381569 /nfs/dbraw/zinc/38/15/69/309381569.db2.gz HTBKJNOQPHJDDH-GGBBIFEXSA-N 2 1 339.886 3.202 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000423061586 309383791 /nfs/dbraw/zinc/38/37/91/309383791.db2.gz LBTBARFZAMXZCB-NFAWXSAZSA-N 2 1 327.394 3.014 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000423066885 309384181 /nfs/dbraw/zinc/38/41/81/309384181.db2.gz FQLARQCVSANEQV-WHOFXGATSA-N 2 1 328.287 3.302 20 0 EGADMP OCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)c(Cl)c1 ZINC000423112289 309386636 /nfs/dbraw/zinc/38/66/36/309386636.db2.gz RYMUINRBGONULS-GYVWXKFASA-N 2 1 329.271 3.290 20 0 EGADMP COCCOCc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423136083 309387762 /nfs/dbraw/zinc/38/77/62/309387762.db2.gz GPRTVJMXNVWFDP-VQTJNVASSA-N 2 1 326.440 3.084 20 0 EGADMP [NH3+]CC1CCC([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423139095 309388063 /nfs/dbraw/zinc/38/80/63/309388063.db2.gz KHRKIQLAEFVVQR-CKHPTIKVSA-N 3 1 329.532 3.396 20 0 EGADMP CC[C@@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423144364 309388222 /nfs/dbraw/zinc/38/82/22/309388222.db2.gz YRWXSXBGWPIFPE-NJYVYQBISA-N 2 1 329.532 3.409 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423176753 309389153 /nfs/dbraw/zinc/38/91/53/309389153.db2.gz CYNZLSBGFPGKNT-PBHICJAKSA-N 2 1 336.451 3.176 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423193567 309389958 /nfs/dbraw/zinc/38/99/58/309389958.db2.gz WYZUOYZXAIXPEW-JBACZVJFSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423193567 309389959 /nfs/dbraw/zinc/38/99/59/309389959.db2.gz WYZUOYZXAIXPEW-JBACZVJFSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423193567 309389960 /nfs/dbraw/zinc/38/99/60/309389960.db2.gz WYZUOYZXAIXPEW-JBACZVJFSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3CCC[NH2+]C3)[C@H]3CCC[C@@H]32)cc1 ZINC000423220075 309391017 /nfs/dbraw/zinc/39/10/17/309391017.db2.gz XWKIUJLIKQIYKM-CGXNFDGLSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCC[NH2+]C3)[C@H]3CCC[C@@H]32)cc1 ZINC000423220075 309391018 /nfs/dbraw/zinc/39/10/18/309391018.db2.gz XWKIUJLIKQIYKM-CGXNFDGLSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCC[NH2+]C3)[C@H]3CCC[C@@H]32)cc1 ZINC000423220075 309391019 /nfs/dbraw/zinc/39/10/19/309391019.db2.gz XWKIUJLIKQIYKM-CGXNFDGLSA-N 3 1 327.516 3.019 20 0 EGADMP COc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc(OC)c1OC ZINC000423258810 309392821 /nfs/dbraw/zinc/39/28/21/309392821.db2.gz CMIOFSOZEHFERX-CJNGLKHVSA-N 2 1 336.476 3.271 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1Br ZINC000423270830 309393382 /nfs/dbraw/zinc/39/33/82/309393382.db2.gz WZXHMZXOWHPKDI-AAEUAGOBSA-N 2 1 329.282 3.482 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423325487 309395315 /nfs/dbraw/zinc/39/53/15/309395315.db2.gz IUPPMJOKGCVNNB-INIZCTEOSA-N 2 1 339.483 3.477 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)CCC2 ZINC000423332177 309395592 /nfs/dbraw/zinc/39/55/92/309395592.db2.gz HBMVIUXQSBBOBM-AUUYWEPGSA-N 2 1 334.460 3.121 20 0 EGADMP CC(C)[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H](C)[NH3+] ZINC000423345164 309396328 /nfs/dbraw/zinc/39/63/28/309396328.db2.gz XMMKHMOBGAMRJW-JTDSTZFVSA-N 2 1 331.504 3.476 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000423354654 309396812 /nfs/dbraw/zinc/39/68/12/309396812.db2.gz NTFLTTCZVNULIY-KRWDZBQOSA-N 2 1 343.515 3.435 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000423354655 309396835 /nfs/dbraw/zinc/39/68/35/309396835.db2.gz NTFLTTCZVNULIY-QGZVFWFLSA-N 2 1 343.515 3.435 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]1 ZINC000423387606 309398089 /nfs/dbraw/zinc/39/80/89/309398089.db2.gz SOXZBLJLSBZNRM-GHRYLNIYSA-N 2 1 327.516 3.017 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]1 ZINC000423387606 309398090 /nfs/dbraw/zinc/39/80/90/309398090.db2.gz SOXZBLJLSBZNRM-GHRYLNIYSA-N 3 1 327.516 3.017 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]1 ZINC000423387606 309398091 /nfs/dbraw/zinc/39/80/91/309398091.db2.gz SOXZBLJLSBZNRM-GHRYLNIYSA-N 3 1 327.516 3.017 20 0 EGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423388207 309398215 /nfs/dbraw/zinc/39/82/15/309398215.db2.gz IHRLGRQNPMFGRB-KMKNWIINSA-N 3 1 341.543 3.265 20 0 EGADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423388207 309398216 /nfs/dbraw/zinc/39/82/16/309398216.db2.gz IHRLGRQNPMFGRB-KMKNWIINSA-N 2 1 341.543 3.265 20 0 EGADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423388207 309398217 /nfs/dbraw/zinc/39/82/17/309398217.db2.gz IHRLGRQNPMFGRB-KMKNWIINSA-N 2 1 341.543 3.265 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000423388192 309398225 /nfs/dbraw/zinc/39/82/25/309398225.db2.gz NFQFUGSBPSSKIV-VGOFRKELSA-N 3 1 335.495 3.433 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000423388192 309398226 /nfs/dbraw/zinc/39/82/26/309398226.db2.gz NFQFUGSBPSSKIV-VGOFRKELSA-N 3 1 335.495 3.433 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423412559 309399114 /nfs/dbraw/zinc/39/91/14/309399114.db2.gz XDJCYYMHXVNCCK-IRXDYDNUSA-N 2 1 337.467 3.053 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423412559 309399115 /nfs/dbraw/zinc/39/91/15/309399115.db2.gz XDJCYYMHXVNCCK-IRXDYDNUSA-N 2 1 337.467 3.053 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(SCC(F)F)cc1 ZINC000423502577 309403299 /nfs/dbraw/zinc/40/32/99/309403299.db2.gz FBXPCTNCXDAPIC-TZMCWYRMSA-N 2 1 330.444 3.073 20 0 EGADMP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423510304 309403982 /nfs/dbraw/zinc/40/39/82/309403982.db2.gz JMZOVFJEBDXANG-BLLLJJGKSA-N 2 1 349.475 3.287 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424129081 309430172 /nfs/dbraw/zinc/43/01/72/309430172.db2.gz GABBCAVLLXSJLL-CRAIPNDOSA-N 2 1 334.508 3.022 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CCCOc2c(Br)cccc21)C[NH+](C)C ZINC000425948390 309495539 /nfs/dbraw/zinc/49/55/39/309495539.db2.gz ANINHYPGPMKLHX-IUODEOHRSA-N 2 1 341.293 3.450 20 0 EGADMP C[C@@H](C[NH2+][C@H]1CCCOc2c(Br)cccc21)C[NH+](C)C ZINC000425948392 309495573 /nfs/dbraw/zinc/49/55/73/309495573.db2.gz ANINHYPGPMKLHX-WFASDCNBSA-N 2 1 341.293 3.450 20 0 EGADMP [NH3+]CC1CC[NH+](Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000430641755 309613573 /nfs/dbraw/zinc/61/35/73/309613573.db2.gz UCUXOXVEVDRZPL-UHFFFAOYSA-N 2 1 349.219 3.221 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440629888 309853212 /nfs/dbraw/zinc/85/32/12/309853212.db2.gz ZMBMGYCNHBOUMC-GXTWGEPZSA-N 2 1 332.414 3.419 20 0 EGADMP C[C@H](C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1cc(F)cc(F)c1 ZINC000449052255 310033395 /nfs/dbraw/zinc/03/33/95/310033395.db2.gz YVQXVBSYMBTVPV-CODKJTEISA-N 2 1 338.442 3.252 20 0 EGADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1cc(F)cc(F)c1 ZINC000449052255 310033396 /nfs/dbraw/zinc/03/33/96/310033396.db2.gz YVQXVBSYMBTVPV-CODKJTEISA-N 2 1 338.442 3.252 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc3ccoc32)CCN1C1CC[NH+](C)CC1 ZINC000449325868 310053586 /nfs/dbraw/zinc/05/35/86/310053586.db2.gz QBXUTSLMPSAZNM-INIZCTEOSA-N 2 1 327.472 3.033 20 0 EGADMP C[C@H](NCC[N@H+]1CCCC1(C)C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449780525 310086744 /nfs/dbraw/zinc/08/67/44/310086744.db2.gz GFSKAAQRFXXVGL-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](NCC[NH+]1CCCC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449780525 310086745 /nfs/dbraw/zinc/08/67/45/310086745.db2.gz GFSKAAQRFXXVGL-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](NCC[NH+]1CCCC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449780525 310086746 /nfs/dbraw/zinc/08/67/46/310086746.db2.gz GFSKAAQRFXXVGL-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP CCc1ccc2[nH+]ccc(N3C[C@H]([NH+]4CCOCC4)C[C@@H]3C)c2c1 ZINC000450529654 310128468 /nfs/dbraw/zinc/12/84/68/310128468.db2.gz NSXBHABDBZMTSM-DOTOQJQBSA-N 2 1 325.456 3.097 20 0 EGADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000450604628 310132699 /nfs/dbraw/zinc/13/26/99/310132699.db2.gz XBSQPYWZTPGWIL-GKBFQHABSA-N 2 1 328.500 3.100 20 0 EGADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000450604628 310132700 /nfs/dbraw/zinc/13/27/00/310132700.db2.gz XBSQPYWZTPGWIL-GKBFQHABSA-N 2 1 328.500 3.100 20 0 EGADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000450604628 310132701 /nfs/dbraw/zinc/13/27/01/310132701.db2.gz XBSQPYWZTPGWIL-GKBFQHABSA-N 2 1 328.500 3.100 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CCCC(C)(C)C)C2)CC1 ZINC000451525678 310183096 /nfs/dbraw/zinc/18/30/96/310183096.db2.gz GNUXYDLWRIPHFZ-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CCCC(C)(C)C)C2)CC1 ZINC000451525678 310183097 /nfs/dbraw/zinc/18/30/97/310183097.db2.gz GNUXYDLWRIPHFZ-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC000451525678 310183098 /nfs/dbraw/zinc/18/30/98/310183098.db2.gz GNUXYDLWRIPHFZ-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC000451525678 310183099 /nfs/dbraw/zinc/18/30/99/310183099.db2.gz GNUXYDLWRIPHFZ-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCc3ccccc3CC2)C[C@H](C)O1 ZINC000453080867 310256612 /nfs/dbraw/zinc/25/66/12/310256612.db2.gz KREOJWMFFLUNOD-HDICACEKSA-N 2 1 330.516 3.413 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453080666 310256657 /nfs/dbraw/zinc/25/66/57/310256657.db2.gz FQPTWYNHGKVMCB-MSOLQXFVSA-N 2 1 333.863 3.225 20 0 EGADMP CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C12CCC2 ZINC000453101043 310257845 /nfs/dbraw/zinc/25/78/45/310257845.db2.gz YOPBALJHKWSJIX-UXHICEINSA-N 2 1 328.500 3.241 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000453166957 310261952 /nfs/dbraw/zinc/26/19/52/310261952.db2.gz HXPLQRGMEIFCPZ-HBFSDRIKSA-N 2 1 338.499 3.298 20 0 EGADMP O[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453173282 310262366 /nfs/dbraw/zinc/26/23/66/310262366.db2.gz OEAAPYFYJGSRCL-PFAUGDHASA-N 2 1 328.500 3.323 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000453200039 310263803 /nfs/dbraw/zinc/26/38/03/310263803.db2.gz ULXNDOOXKQSYCL-LEWJYISDSA-N 2 1 328.500 3.312 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)n(C)n1 ZINC000453222293 310264975 /nfs/dbraw/zinc/26/49/75/310264975.db2.gz YMOJTDRCZSLWMR-NJYVYQBISA-N 2 1 338.499 3.261 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)n(C)n1 ZINC000453222293 310264976 /nfs/dbraw/zinc/26/49/76/310264976.db2.gz YMOJTDRCZSLWMR-NJYVYQBISA-N 2 1 338.499 3.261 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(OC)c2ccccc2)[C@@H](C)C1 ZINC000453313992 310270593 /nfs/dbraw/zinc/27/05/93/310270593.db2.gz FEKCDICHQBSECW-SESVDKBCSA-N 2 1 348.531 3.275 20 0 EGADMP CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000453345479 310272158 /nfs/dbraw/zinc/27/21/58/310272158.db2.gz KAQYNRWPGZWFRD-JKSUJKDBSA-N 2 1 330.476 3.255 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+]4CCC[C@@]5(CCOC5)C4)[C@H]3C2)cc1 ZINC000453384677 310274153 /nfs/dbraw/zinc/27/41/53/310274153.db2.gz TWMMNHQECCHNED-MYGLTJDJSA-N 2 1 340.511 3.400 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[C@H]([N@@H+]4CCC[C@@]5(CCOC5)C4)[C@H]3C2)cc1 ZINC000453384677 310274154 /nfs/dbraw/zinc/27/41/54/310274154.db2.gz TWMMNHQECCHNED-MYGLTJDJSA-N 2 1 340.511 3.400 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[C@H]([N@H+]4CCC[C@@]5(CCOC5)C4)[C@H]3C2)cc1 ZINC000453384677 310274155 /nfs/dbraw/zinc/27/41/55/310274155.db2.gz TWMMNHQECCHNED-MYGLTJDJSA-N 2 1 340.511 3.400 20 0 EGADMP Cc1nn2c(C[NH2+]CCCC[N@@H+](C)C3CC3)c(C(C)C)nc2s1 ZINC000453591455 310283259 /nfs/dbraw/zinc/28/32/59/310283259.db2.gz CCYDENQAPFPFJR-UHFFFAOYSA-N 2 1 335.521 3.187 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455915665 310382162 /nfs/dbraw/zinc/38/21/62/310382162.db2.gz KNQRSPPYIVTENS-HNAYVOBHSA-N 2 1 344.503 3.041 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456338896 310399235 /nfs/dbraw/zinc/39/92/35/310399235.db2.gz OLZWIHPGWTZXAP-QZTJIDSGSA-N 2 1 345.531 3.134 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C)cc1 ZINC000482153337 310927301 /nfs/dbraw/zinc/92/73/01/310927301.db2.gz AVFQMYBLRBIUMG-HKUYNNGSSA-N 2 1 331.504 3.424 20 0 EGADMP CCCCCNC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000491060572 311162750 /nfs/dbraw/zinc/16/27/50/311162750.db2.gz LCLDBMIWIQKXIO-UHFFFAOYSA-N 2 1 345.531 3.137 20 0 EGADMP C[NH+](C)C/C=C\C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000491906403 311197251 /nfs/dbraw/zinc/19/72/51/311197251.db2.gz PMHGCJRAAJSRGB-ZROIWOOFSA-N 2 1 343.515 3.185 20 0 EGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000504424795 312006302 /nfs/dbraw/zinc/00/63/02/312006302.db2.gz SWOWQGKDAHLYEE-RXVVDRJESA-N 2 1 343.559 3.142 20 0 EGADMP OC[C@H](CC1CCCC1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000510963355 312151698 /nfs/dbraw/zinc/15/16/98/312151698.db2.gz ADQFDJKFRGYJGZ-CIAFKFPVSA-N 2 1 342.527 3.428 20 0 EGADMP CC(C)C[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000511615401 312164309 /nfs/dbraw/zinc/16/43/09/312164309.db2.gz GVOFPKQFOOBVMT-UHFFFAOYSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)c1ccc([C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000514149403 312226511 /nfs/dbraw/zinc/22/65/11/312226511.db2.gz MBWJXBPRBIPPPU-OAQYLSRUSA-N 2 1 345.531 3.261 20 0 EGADMP CC[NH+]1CCC(C[NH2+][C@H](c2nccn2C)c2ccc(Cl)cc2)CC1 ZINC000516248263 312316824 /nfs/dbraw/zinc/31/68/24/312316824.db2.gz YVJCZPUCOYBFNU-SFHVURJKSA-N 2 1 346.906 3.484 20 0 EGADMP C[C@@H](O)C[N@H+](CCCc1c[nH+]cn1C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000517387710 312377464 /nfs/dbraw/zinc/37/74/64/312377464.db2.gz MKGLGKCAVNOAFX-JKSUJKDBSA-N 2 1 349.906 3.320 20 0 EGADMP C[C@@H](O)C[N@@H+](CCCc1c[nH+]cn1C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000517387710 312377467 /nfs/dbraw/zinc/37/74/67/312377467.db2.gz MKGLGKCAVNOAFX-JKSUJKDBSA-N 2 1 349.906 3.320 20 0 EGADMP CCN(C(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC000522546188 312592095 /nfs/dbraw/zinc/59/20/95/312592095.db2.gz AFIVAPCFHARTQZ-WMZOPIPTSA-N 2 1 333.520 3.384 20 0 EGADMP COc1cccc([C@H]2C[N@@H+](CCCc3cncn3C)CC2(C)C)c1 ZINC000528616985 313129938 /nfs/dbraw/zinc/12/99/38/313129938.db2.gz DGHSYAMHRDFJFF-LJQANCHMSA-N 2 1 327.472 3.487 20 0 EGADMP COc1cccc([C@H]2C[N@H+](CCCc3c[nH+]cn3C)CC2(C)C)c1 ZINC000528616985 313129943 /nfs/dbraw/zinc/12/99/43/313129943.db2.gz DGHSYAMHRDFJFF-LJQANCHMSA-N 2 1 327.472 3.487 20 0 EGADMP COc1cccc([C@H]2C[N@@H+](CCCc3c[nH+]cn3C)CC2(C)C)c1 ZINC000528616985 313129947 /nfs/dbraw/zinc/12/99/47/313129947.db2.gz DGHSYAMHRDFJFF-LJQANCHMSA-N 2 1 327.472 3.487 20 0 EGADMP OC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC(c2ccccc2)CC1 ZINC000530231314 313502340 /nfs/dbraw/zinc/50/23/40/313502340.db2.gz ONACVVYRUNJRBN-UHFFFAOYSA-N 2 1 328.500 3.292 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CCN1CCN(c2nc3ccccc3s2)CC1 ZINC000535405884 314044471 /nfs/dbraw/zinc/04/44/71/314044471.db2.gz PEYZVRWJZOHHIY-MRXNPFEDSA-N 2 1 344.528 3.293 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000537095597 314160998 /nfs/dbraw/zinc/16/09/98/314160998.db2.gz GUNKOHYENQCAKY-AOIWGVFYSA-N 2 1 326.488 3.371 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@H](C(C)C)[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537992145 314222319 /nfs/dbraw/zinc/22/23/19/314222319.db2.gz YMACMKVTYNPWMF-NYVOZVTQSA-N 2 1 343.559 3.389 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537992145 314222322 /nfs/dbraw/zinc/22/23/22/314222322.db2.gz YMACMKVTYNPWMF-NYVOZVTQSA-N 2 1 343.559 3.389 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537992145 314222325 /nfs/dbraw/zinc/22/23/25/314222325.db2.gz YMACMKVTYNPWMF-NYVOZVTQSA-N 2 1 343.559 3.389 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C(C)C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537992145 314222331 /nfs/dbraw/zinc/22/23/31/314222331.db2.gz YMACMKVTYNPWMF-NYVOZVTQSA-N 2 1 343.559 3.389 20 0 EGADMP CC(C)c1cc(N2CCC(C[N@@H+](C)C(C)C)CC2)nc(N(C)C)[nH+]1 ZINC000538084338 314226402 /nfs/dbraw/zinc/22/64/02/314226402.db2.gz UKPOTNJPMJSJAX-UHFFFAOYSA-N 2 1 333.524 3.223 20 0 EGADMP CC(C)c1cc(N2CCC(C[N@H+](C)C(C)C)CC2)nc(N(C)C)[nH+]1 ZINC000538084338 314226403 /nfs/dbraw/zinc/22/64/03/314226403.db2.gz UKPOTNJPMJSJAX-UHFFFAOYSA-N 2 1 333.524 3.223 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(F)c2F)[C@H](C)C1 ZINC000540177312 314367571 /nfs/dbraw/zinc/36/75/71/314367571.db2.gz CTIZQRASMSZVQF-CRAIPNDOSA-N 2 1 340.458 3.234 20 0 EGADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCC[C@H]2C2CC2)c2cccs2)CC1 ZINC000540260911 314372594 /nfs/dbraw/zinc/37/25/94/314372594.db2.gz NYTYVTDOPQZZSA-RCCFBDPRSA-N 2 1 333.545 3.205 20 0 EGADMP C(C1CC1)[C@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](CC4CC4)C3)COC2)C1 ZINC000550048560 315114279 /nfs/dbraw/zinc/11/42/79/315114279.db2.gz GFZNWIMJPQYKHS-WOJBJXKFSA-N 2 1 332.532 3.247 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000551750191 315166498 /nfs/dbraw/zinc/16/64/98/315166498.db2.gz WMOHPDHRYVOHJT-SFHVURJKSA-N 2 1 345.531 3.258 20 0 EGADMP CC(C)(O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552065124 315194901 /nfs/dbraw/zinc/19/49/01/315194901.db2.gz FYSSUZQQWZUPFU-XUVXKRRUSA-N 2 1 330.516 3.428 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000552099882 315197973 /nfs/dbraw/zinc/19/79/73/315197973.db2.gz WFAWBFZRILNLDZ-AEFFLSMTSA-N 2 1 334.504 3.407 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000552099882 315197976 /nfs/dbraw/zinc/19/79/76/315197976.db2.gz WFAWBFZRILNLDZ-AEFFLSMTSA-N 2 1 334.504 3.407 20 0 EGADMP Cn1c2ccc(N[C@@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2[nH+]c1C(C)(C)C ZINC000563700228 316058125 /nfs/dbraw/zinc/05/81/25/316058125.db2.gz GVHQKXXXZLWAPO-MSOLQXFVSA-N 2 1 342.487 3.050 20 0 EGADMP Cc1ccc(-c2noc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)n2)cc1 ZINC000564833103 316213857 /nfs/dbraw/zinc/21/38/57/316213857.db2.gz WNJOJSZQNSBFIP-OAHLLOKOSA-N 2 1 326.444 3.009 20 0 EGADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000564914571 316232416 /nfs/dbraw/zinc/23/24/16/316232416.db2.gz ARRLHSZRCHDSCJ-FQEVSTJZSA-N 2 1 343.515 3.109 20 0 EGADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000564914571 316232417 /nfs/dbraw/zinc/23/24/17/316232417.db2.gz ARRLHSZRCHDSCJ-FQEVSTJZSA-N 2 1 343.515 3.109 20 0 EGADMP Cc1ccnc(C)c1NC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000565054633 316257387 /nfs/dbraw/zinc/25/73/87/316257387.db2.gz PZLNITJJCHGFIW-FQEVSTJZSA-N 2 1 338.455 3.485 20 0 EGADMP COc1ccc(Oc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)ccn2)cc1 ZINC000565899258 316385511 /nfs/dbraw/zinc/38/55/11/316385511.db2.gz BXFDEPIZAHEWTJ-SJPCQFCGSA-N 2 1 339.439 3.255 20 0 EGADMP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OC(F)F ZINC000570436634 317055235 /nfs/dbraw/zinc/05/52/35/317055235.db2.gz DREMSUNUZNSWDD-DZGCQCFKSA-N 2 1 342.430 3.459 20 0 EGADMP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OC(F)F ZINC000570436634 317055238 /nfs/dbraw/zinc/05/52/38/317055238.db2.gz DREMSUNUZNSWDD-DZGCQCFKSA-N 2 1 342.430 3.459 20 0 EGADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000570436634 317055241 /nfs/dbraw/zinc/05/52/41/317055241.db2.gz DREMSUNUZNSWDD-DZGCQCFKSA-N 2 1 342.430 3.459 20 0 EGADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000570436634 317055244 /nfs/dbraw/zinc/05/52/44/317055244.db2.gz DREMSUNUZNSWDD-DZGCQCFKSA-N 2 1 342.430 3.459 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@](C)(Cc1ccccc1)c1ccccc1 ZINC000571341798 317185659 /nfs/dbraw/zinc/18/56/59/317185659.db2.gz PYNTYDUULUAXMW-SFTDATJTSA-N 2 1 326.484 3.047 20 0 EGADMP CC[C@H]1CC[C@@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000571711183 317236000 /nfs/dbraw/zinc/23/60/00/317236000.db2.gz ZPZDYSAUQAPTEW-RXVVDRJESA-N 2 1 346.515 3.454 20 0 EGADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000572148942 317298736 /nfs/dbraw/zinc/29/87/36/317298736.db2.gz KWMGIZXFRXQLOO-PXNSSMCTSA-N 2 1 348.531 3.145 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3nc(C)c(C)[nH]3)CC2)cs1 ZINC000575003162 317661577 /nfs/dbraw/zinc/66/15/77/317661577.db2.gz FNIPRFGJPCFZHF-UHFFFAOYSA-N 2 1 347.532 3.047 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)[C@H](C)C1 ZINC000177870038 323346869 /nfs/dbraw/zinc/34/68/69/323346869.db2.gz RGFXADUSJZYPMT-UTKZUKDTSA-N 2 1 340.515 3.433 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000177902024 323347749 /nfs/dbraw/zinc/34/77/49/323347749.db2.gz ZRCAKAMNYGLFRE-CJNGLKHVSA-N 2 1 330.394 3.404 20 0 EGADMP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379664180 324240335 /nfs/dbraw/zinc/24/03/35/324240335.db2.gz OFNZUNZJVTWJOS-HSALFYBXSA-N 2 1 343.515 3.065 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000382623990 324252625 /nfs/dbraw/zinc/25/26/25/324252625.db2.gz MPYAGMAKZHVCMV-BRWVUGGUSA-N 2 1 339.524 3.142 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000382623993 324252656 /nfs/dbraw/zinc/25/26/56/324252656.db2.gz MPYAGMAKZHVCMV-ZACQAIPSSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H]1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000382720140 324252727 /nfs/dbraw/zinc/25/27/27/324252727.db2.gz LICUSGFVNVATTD-RLLQIKCJSA-N 2 1 343.515 3.017 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000386626671 324268660 /nfs/dbraw/zinc/26/86/60/324268660.db2.gz OTNRUKUNYXURBE-JQWIXIFHSA-N 2 1 329.307 3.429 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000386626671 324268664 /nfs/dbraw/zinc/26/86/64/324268664.db2.gz OTNRUKUNYXURBE-JQWIXIFHSA-N 2 1 329.307 3.429 20 0 EGADMP Fc1cc(Br)cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000389462570 324279175 /nfs/dbraw/zinc/27/91/75/324279175.db2.gz YSIUUMOQYUSMQM-BETUJISGSA-N 2 1 327.241 3.020 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000395004343 324292679 /nfs/dbraw/zinc/29/26/79/324292679.db2.gz KSUKHUOURLFNGU-GIVPXCGWSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000395004343 324292683 /nfs/dbraw/zinc/29/26/83/324292683.db2.gz KSUKHUOURLFNGU-GIVPXCGWSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000395004343 324292690 /nfs/dbraw/zinc/29/26/90/324292690.db2.gz KSUKHUOURLFNGU-GIVPXCGWSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000395004343 324292701 /nfs/dbraw/zinc/29/27/01/324292701.db2.gz KSUKHUOURLFNGU-GIVPXCGWSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000395004343 324292706 /nfs/dbraw/zinc/29/27/06/324292706.db2.gz KSUKHUOURLFNGU-GIVPXCGWSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000395004343 324292711 /nfs/dbraw/zinc/29/27/11/324292711.db2.gz KSUKHUOURLFNGU-GIVPXCGWSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000395004360 324292762 /nfs/dbraw/zinc/29/27/62/324292762.db2.gz KSUKHUOURLFNGU-NRSPTQNISA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000395004360 324292767 /nfs/dbraw/zinc/29/27/67/324292767.db2.gz KSUKHUOURLFNGU-NRSPTQNISA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000395004360 324292774 /nfs/dbraw/zinc/29/27/74/324292774.db2.gz KSUKHUOURLFNGU-NRSPTQNISA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000395004360 324292783 /nfs/dbraw/zinc/29/27/83/324292783.db2.gz KSUKHUOURLFNGU-NRSPTQNISA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000395004360 324292789 /nfs/dbraw/zinc/29/27/89/324292789.db2.gz KSUKHUOURLFNGU-NRSPTQNISA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000395004360 324292792 /nfs/dbraw/zinc/29/27/92/324292792.db2.gz KSUKHUOURLFNGU-NRSPTQNISA-N 3 1 329.532 3.219 20 0 EGADMP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000580483497 325256426 /nfs/dbraw/zinc/25/64/26/325256426.db2.gz HVUQEHUKMVHVNS-IBGZPJMESA-N 2 1 338.499 3.344 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)CC3 ZINC000580545614 325265154 /nfs/dbraw/zinc/26/51/54/325265154.db2.gz KRXHIEFXKFZNEJ-HZPDHXFCSA-N 2 1 341.499 3.354 20 0 EGADMP [NH3+]C[C@@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C1CCCCC1 ZINC000580946187 325312638 /nfs/dbraw/zinc/31/26/38/325312638.db2.gz IYUNHDUFAIRLMD-IPFXWSOASA-N 2 1 341.499 3.316 20 0 EGADMP CC[C@@]1(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CCC[NH2+]1 ZINC000581827338 325391981 /nfs/dbraw/zinc/39/19/81/325391981.db2.gz NAFLGTNFVGEVBQ-XLIONFOSSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000581879864 325395580 /nfs/dbraw/zinc/39/55/80/325395580.db2.gz CRLMEZSQIPFYEH-HHXXYDBFSA-N 2 1 336.907 3.411 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000581879864 325395582 /nfs/dbraw/zinc/39/55/82/325395582.db2.gz CRLMEZSQIPFYEH-HHXXYDBFSA-N 2 1 336.907 3.411 20 0 EGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000582203682 325422131 /nfs/dbraw/zinc/42/21/31/325422131.db2.gz OUONPXNZRLZGOV-YJYMSZOUSA-N 2 1 338.386 3.327 20 0 EGADMP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358254255 457891073 /nfs/dbraw/zinc/89/10/73/457891073.db2.gz PIHZDCIRFCPJJT-CVEARBPZSA-N 2 1 331.287 3.491 20 0 EGADMP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358254255 457891082 /nfs/dbraw/zinc/89/10/82/457891082.db2.gz PIHZDCIRFCPJJT-CVEARBPZSA-N 2 1 331.287 3.491 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc(O)c1Br ZINC000459426185 458367655 /nfs/dbraw/zinc/36/76/55/458367655.db2.gz IKKPGZFFOMZSON-UHFFFAOYSA-N 2 1 338.249 3.230 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000460391382 458515571 /nfs/dbraw/zinc/51/55/71/458515571.db2.gz YEMDHBZJQWXKAY-IBGZPJMESA-N 2 1 326.525 3.364 20 0 EGADMP CCCCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1(C)C ZINC000432415980 458736144 /nfs/dbraw/zinc/73/61/44/458736144.db2.gz XSANZAMOKZKZTB-OKZBNKHCSA-N 2 1 326.525 3.061 20 0 EGADMP CCCCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1(C)C ZINC000432415980 458736151 /nfs/dbraw/zinc/73/61/51/458736151.db2.gz XSANZAMOKZKZTB-OKZBNKHCSA-N 2 1 326.525 3.061 20 0 EGADMP CC(C)[NH+](CCCNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)C(C)C ZINC000531303417 458898199 /nfs/dbraw/zinc/89/81/99/458898199.db2.gz JSWCOAVMLWBSEP-UHFFFAOYSA-N 2 1 340.556 3.011 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000531937651 459002997 /nfs/dbraw/zinc/00/29/97/459002997.db2.gz IDOKARKAJUKQJW-FHERZECASA-N 2 1 336.442 3.324 20 0 EGADMP CCS[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594495963 459060233 /nfs/dbraw/zinc/06/02/33/459060233.db2.gz GCXZBPHWWZBWCI-FGTMMUONSA-N 2 1 326.550 3.284 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)CC[N@H+]1C ZINC000180848452 455255423 /nfs/dbraw/zinc/25/54/23/455255423.db2.gz HXARJNOFLKFRSR-ZBFHGGJFSA-N 2 1 330.501 3.210 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000158145452 455273536 /nfs/dbraw/zinc/27/35/36/455273536.db2.gz WYIUMJMBSNYZSX-MRXNPFEDSA-N 2 1 335.923 3.236 20 0 EGADMP O[C@H]1CC[N@H+](Cc2ccccc2CNc2cc[nH+]c3ccsc32)C1 ZINC000181145575 455294911 /nfs/dbraw/zinc/29/49/11/455294911.db2.gz TZBTVLWQQFGSQK-INIZCTEOSA-N 2 1 339.464 3.475 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2CNc2cc[nH+]c3ccsc32)C1 ZINC000181145575 455294915 /nfs/dbraw/zinc/29/49/15/455294915.db2.gz TZBTVLWQQFGSQK-INIZCTEOSA-N 2 1 339.464 3.475 20 0 EGADMP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+](C)CCCn1ccnc1 ZINC000181109078 455289375 /nfs/dbraw/zinc/28/93/75/455289375.db2.gz VPQMDAXGKKBIIX-CQSZACIVSA-N 2 1 334.851 3.194 20 0 EGADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631844966 460579143 /nfs/dbraw/zinc/57/91/43/460579143.db2.gz QKQVPSKRMUPRSJ-MFKMUULPSA-N 2 1 340.258 3.052 20 0 EGADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631844966 460579146 /nfs/dbraw/zinc/57/91/46/460579146.db2.gz QKQVPSKRMUPRSJ-MFKMUULPSA-N 2 1 340.258 3.052 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)[C@H](C)C1 ZINC000159281084 455366921 /nfs/dbraw/zinc/36/69/21/455366921.db2.gz QXUSBGBOZMGWKV-CRAIPNDOSA-N 2 1 341.455 3.352 20 0 EGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000174370778 455383218 /nfs/dbraw/zinc/38/32/18/455383218.db2.gz ZOZAOKGJVROLME-UXPWSPDFSA-N 2 1 343.515 3.052 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)cc2)C1 ZINC000081362160 453864747 /nfs/dbraw/zinc/86/47/47/453864747.db2.gz PIFXPAAHUVEKDA-LJQANCHMSA-N 2 1 345.531 3.332 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000081634418 453898767 /nfs/dbraw/zinc/89/87/67/453898767.db2.gz OFZYTLFSYOGWEK-MRXNPFEDSA-N 2 1 349.906 3.332 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000081634418 453898771 /nfs/dbraw/zinc/89/87/71/453898771.db2.gz OFZYTLFSYOGWEK-MRXNPFEDSA-N 2 1 349.906 3.332 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000081634418 453898775 /nfs/dbraw/zinc/89/87/75/453898775.db2.gz OFZYTLFSYOGWEK-MRXNPFEDSA-N 2 1 349.906 3.332 20 0 EGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000054408456 453928717 /nfs/dbraw/zinc/92/87/17/453928717.db2.gz KCYAQECQVRCSDA-MRXNPFEDSA-N 2 1 346.519 3.380 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]CC[C@H](C)[NH+]3CCCCC3)c(C)n2n1 ZINC000184500865 455391266 /nfs/dbraw/zinc/39/12/66/455391266.db2.gz VXHKGNHNBCADHO-HOTGVXAUSA-N 2 1 329.492 3.261 20 0 EGADMP CCOC(=O)N1CCC([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000089144642 454125190 /nfs/dbraw/zinc/12/51/90/454125190.db2.gz KTELDVZKIANGDF-UHFFFAOYSA-N 2 1 347.503 3.237 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC000246048840 455418206 /nfs/dbraw/zinc/41/82/06/455418206.db2.gz PUMPRDCJUUWWHO-XHDPSFHLSA-N 2 1 329.257 3.408 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC000246048840 455418208 /nfs/dbraw/zinc/41/82/08/455418208.db2.gz PUMPRDCJUUWWHO-XHDPSFHLSA-N 2 1 329.257 3.408 20 0 EGADMP Cc1ccc([C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[NH+]2CCCC2)o1 ZINC000078724361 454305603 /nfs/dbraw/zinc/30/56/03/454305603.db2.gz PRFNEUYHSZZCHZ-ZWKOTPCHSA-N 2 1 347.503 3.106 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCC[N@@H+](CC(C)C)C3)c(C)n2n1 ZINC000090586737 454323575 /nfs/dbraw/zinc/32/35/75/454323575.db2.gz UJUJVTIGSLMVNV-FUHWJXTLSA-N 2 1 343.519 3.365 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCC[N@H+](CC(C)C)C3)c(C)n2n1 ZINC000090586737 454323581 /nfs/dbraw/zinc/32/35/81/454323581.db2.gz UJUJVTIGSLMVNV-FUHWJXTLSA-N 2 1 343.519 3.365 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000090586059 454323995 /nfs/dbraw/zinc/32/39/95/454323995.db2.gz RZWVKTAPOMZFEF-IRXDYDNUSA-N 2 1 332.488 3.476 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CCN(CC[NH+]2CCCCC2)CC1 ZINC000078833276 454326926 /nfs/dbraw/zinc/32/69/26/454326926.db2.gz KUKJRVBXYNUSKD-UHFFFAOYSA-N 2 1 329.532 3.316 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCN2CCCCC2)CC1 ZINC000078833276 454326927 /nfs/dbraw/zinc/32/69/27/454326927.db2.gz KUKJRVBXYNUSKD-UHFFFAOYSA-N 2 1 329.532 3.316 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCN2CCCCC2)CC1 ZINC000078833276 454326931 /nfs/dbraw/zinc/32/69/31/454326931.db2.gz KUKJRVBXYNUSKD-UHFFFAOYSA-N 2 1 329.532 3.316 20 0 EGADMP c1cc(COC2CCOCC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090723342 454338033 /nfs/dbraw/zinc/33/80/33/454338033.db2.gz BVDOPUNJQVKXOZ-VQTJNVASSA-N 2 1 344.499 3.099 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2cc(C)ccc2C)CC1 ZINC000133621871 454448085 /nfs/dbraw/zinc/44/80/85/454448085.db2.gz HODCWNYXVGVNSJ-FQEVSTJZSA-N 2 1 343.515 3.041 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000121646074 454461697 /nfs/dbraw/zinc/46/16/97/454461697.db2.gz MYYRUACHGMNEAQ-RXVVDRJESA-N 3 1 329.532 3.492 20 0 EGADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000121646074 454461700 /nfs/dbraw/zinc/46/17/00/454461700.db2.gz MYYRUACHGMNEAQ-RXVVDRJESA-N 2 1 329.532 3.492 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2cc(OC)c(OCC)c(OC)c2)CC1 ZINC000101589832 454475776 /nfs/dbraw/zinc/47/57/76/454475776.db2.gz VFCKJKHKFDORRU-UHFFFAOYSA-N 2 1 336.476 3.067 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[N@H+](C)C3)o2)cc1 ZINC000134047579 454497448 /nfs/dbraw/zinc/49/74/48/454497448.db2.gz OEONWTGUXRTZGO-OAHLLOKOSA-N 2 1 342.439 3.165 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[N@@H+](C)C3)o2)cc1 ZINC000134047579 454497453 /nfs/dbraw/zinc/49/74/53/454497453.db2.gz OEONWTGUXRTZGO-OAHLLOKOSA-N 2 1 342.439 3.165 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+](CC)C(C)C)cc1)C(C)C ZINC000102479403 454505828 /nfs/dbraw/zinc/50/58/28/454505828.db2.gz XHQMODPRPPRJAX-UHFFFAOYSA-N 2 1 333.520 3.377 20 0 EGADMP CC[NH+](CCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)C(C)C ZINC000102479403 454505831 /nfs/dbraw/zinc/50/58/31/454505831.db2.gz XHQMODPRPPRJAX-UHFFFAOYSA-N 2 1 333.520 3.377 20 0 EGADMP CC[NH+](CCNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1)C(C)C ZINC000102479403 454505835 /nfs/dbraw/zinc/50/58/35/454505835.db2.gz XHQMODPRPPRJAX-UHFFFAOYSA-N 2 1 333.520 3.377 20 0 EGADMP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123159896 454609126 /nfs/dbraw/zinc/60/91/26/454609126.db2.gz KHJURMIXEDNKAJ-HNNXBMFYSA-N 2 1 342.487 3.038 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)s1 ZINC000092720721 454617067 /nfs/dbraw/zinc/61/70/67/454617067.db2.gz URMBLEDPROIYNS-HNNXBMFYSA-N 2 1 339.549 3.413 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cccnc3)cc2)CC1 ZINC000092739567 454621970 /nfs/dbraw/zinc/62/19/70/454621970.db2.gz CBUGNPBLCHMCHM-GOSISDBHSA-N 2 1 338.499 3.070 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(F)cn3)CC2)oc1C ZINC000092748583 454625589 /nfs/dbraw/zinc/62/55/89/454625589.db2.gz VSGKDTZJRNVRHD-CQSZACIVSA-N 2 1 346.450 3.388 20 0 EGADMP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123553863 454651400 /nfs/dbraw/zinc/65/14/00/454651400.db2.gz NVJOBGFVNORPKW-IAGOWNOFSA-N 2 1 340.471 3.010 20 0 EGADMP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123553863 454651412 /nfs/dbraw/zinc/65/14/12/454651412.db2.gz NVJOBGFVNORPKW-IAGOWNOFSA-N 2 1 340.471 3.010 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000066178622 454664497 /nfs/dbraw/zinc/66/44/97/454664497.db2.gz ZQUSQFTYQXQGMP-QGZVFWFLSA-N 2 1 348.535 3.056 20 0 EGADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000066178622 454664503 /nfs/dbraw/zinc/66/45/03/454664503.db2.gz ZQUSQFTYQXQGMP-QGZVFWFLSA-N 2 1 348.535 3.056 20 0 EGADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000066178622 454664506 /nfs/dbraw/zinc/66/45/06/454664506.db2.gz ZQUSQFTYQXQGMP-QGZVFWFLSA-N 2 1 348.535 3.056 20 0 EGADMP CCCCc1oc2ccccc2c1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000635001244 460647068 /nfs/dbraw/zinc/64/70/68/460647068.db2.gz LOXLRZMLGKKIQR-UHFFFAOYSA-N 2 1 330.472 3.322 20 0 EGADMP COc1ccccc1[C@@H](CNC(=[NH2+])Nc1ccccc1)[NH+]1CCCC1 ZINC000066242309 454671896 /nfs/dbraw/zinc/67/18/96/454671896.db2.gz NDCISMBPYZVNCW-GOSISDBHSA-N 2 1 338.455 3.469 20 0 EGADMP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000635004630 460647887 /nfs/dbraw/zinc/64/78/87/460647887.db2.gz JJDSFQUCMCNZFW-NQQSBDJJSA-N 3 1 327.516 3.289 20 0 EGADMP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000635004630 460647893 /nfs/dbraw/zinc/64/78/93/460647893.db2.gz JJDSFQUCMCNZFW-NQQSBDJJSA-N 2 1 327.516 3.289 20 0 EGADMP C[C@@H](c1cccnc1)[NH+](C)CCOCC[N@H+](C)[C@@H](C)c1cccnc1 ZINC000093234809 454694298 /nfs/dbraw/zinc/69/42/98/454694298.db2.gz CIRLZKCFVWEXPR-ROUUACIJSA-N 2 1 342.487 3.179 20 0 EGADMP C[N@H+](CCCO)C1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000093394909 454710854 /nfs/dbraw/zinc/71/08/54/454710854.db2.gz FPLIPWPOOIDZPU-UHFFFAOYSA-N 2 1 339.483 3.027 20 0 EGADMP C[N@@H+](CCCO)C1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000093394909 454710857 /nfs/dbraw/zinc/71/08/57/454710857.db2.gz FPLIPWPOOIDZPU-UHFFFAOYSA-N 2 1 339.483 3.027 20 0 EGADMP CCC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(OC)cc1 ZINC000124347081 454721633 /nfs/dbraw/zinc/72/16/33/454721633.db2.gz WLGYEVLSAIOTRH-OAQYLSRUSA-N 2 1 347.547 3.400 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]2CSC)CC1 ZINC000093761361 454732917 /nfs/dbraw/zinc/73/29/17/454732917.db2.gz FIDYTFOHZVGBED-SFHVURJKSA-N 2 1 333.545 3.156 20 0 EGADMP CCC[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124749256 454766450 /nfs/dbraw/zinc/76/64/50/454766450.db2.gz HEVAFKFCCFIERM-YTQUADARSA-N 2 1 337.552 3.218 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000124813311 454771983 /nfs/dbraw/zinc/77/19/83/454771983.db2.gz CYCBBRXHSBUAQN-UHFFFAOYSA-N 2 1 346.906 3.443 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000124813311 454771987 /nfs/dbraw/zinc/77/19/87/454771987.db2.gz CYCBBRXHSBUAQN-UHFFFAOYSA-N 2 1 346.906 3.443 20 0 EGADMP C[N@H+]1CCC[C@H]1CCN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000124850618 454776295 /nfs/dbraw/zinc/77/62/95/454776295.db2.gz XHUXJSBNOIABEJ-IBGZPJMESA-N 2 1 341.499 3.028 20 0 EGADMP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000124850618 454776300 /nfs/dbraw/zinc/77/63/00/454776300.db2.gz XHUXJSBNOIABEJ-IBGZPJMESA-N 2 1 341.499 3.028 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000124850618 454776304 /nfs/dbraw/zinc/77/63/04/454776304.db2.gz XHUXJSBNOIABEJ-IBGZPJMESA-N 2 1 341.499 3.028 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000124850618 454776309 /nfs/dbraw/zinc/77/63/09/454776309.db2.gz XHUXJSBNOIABEJ-IBGZPJMESA-N 2 1 341.499 3.028 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000124850618 454776314 /nfs/dbraw/zinc/77/63/14/454776314.db2.gz XHUXJSBNOIABEJ-IBGZPJMESA-N 2 1 341.499 3.028 20 0 EGADMP COc1cccc(Oc2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)cn2)c1 ZINC000162678835 454792459 /nfs/dbraw/zinc/79/24/59/454792459.db2.gz NYMSKNLXAWPDPE-KXBFYZLASA-N 2 1 341.455 3.312 20 0 EGADMP COc1cccc(Oc2ccc(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)cn2)c1 ZINC000162678835 454792463 /nfs/dbraw/zinc/79/24/63/454792463.db2.gz NYMSKNLXAWPDPE-KXBFYZLASA-N 2 1 341.455 3.312 20 0 EGADMP Cc1[nH+]ccn1CCCCN1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000125497094 454826486 /nfs/dbraw/zinc/82/64/86/454826486.db2.gz NCAUGFFLBZUOPS-SFHVURJKSA-N 2 1 335.398 3.323 20 0 EGADMP CCC[C@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163957686 454870004 /nfs/dbraw/zinc/87/00/04/454870004.db2.gz MHTIFVJSOGJFNQ-KRWDZBQOSA-N 2 1 334.504 3.454 20 0 EGADMP CC(C)OCCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177510347 454871777 /nfs/dbraw/zinc/87/17/77/454871777.db2.gz MKYDOZMBSXYSSB-HDICACEKSA-N 2 1 326.525 3.013 20 0 EGADMP CC(C)[NH2+]CCC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000164838304 454890019 /nfs/dbraw/zinc/89/00/19/454890019.db2.gz PNFKVEJHUVKHJZ-HDICACEKSA-N 2 1 345.531 3.169 20 0 EGADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccccc1Cl ZINC000150803994 454894902 /nfs/dbraw/zinc/89/49/02/454894902.db2.gz BQJMGXMQJFCJTI-HNNXBMFYSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000178077668 454932891 /nfs/dbraw/zinc/93/28/91/454932891.db2.gz KPUREXYSPFVRFC-UYAOXDASSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)C[N@@H+]1CCO[C@H](CN[C@@H](C)c2ccc3ccccc3n2)C1 ZINC000178332834 454949721 /nfs/dbraw/zinc/94/97/21/454949721.db2.gz CUNBTAFJABJBHQ-FUHWJXTLSA-N 2 1 327.472 3.242 20 0 EGADMP CC(C)C[N@H+]1CCO[C@H](CN[C@@H](C)c2ccc3ccccc3n2)C1 ZINC000178332834 454949724 /nfs/dbraw/zinc/94/97/24/454949724.db2.gz CUNBTAFJABJBHQ-FUHWJXTLSA-N 2 1 327.472 3.242 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1C(F)(F)F ZINC000178521471 454959784 /nfs/dbraw/zinc/95/97/84/454959784.db2.gz LSISYKPPDCAIQP-CYBMUJFWSA-N 2 1 330.394 3.203 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000178634814 454965410 /nfs/dbraw/zinc/96/54/10/454965410.db2.gz BZMPQWCSKQSLQV-NQIIRXRSSA-N 3 1 329.532 3.219 20 0 EGADMP CCN1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000178634814 454965413 /nfs/dbraw/zinc/96/54/13/454965413.db2.gz BZMPQWCSKQSLQV-NQIIRXRSSA-N 2 1 329.532 3.219 20 0 EGADMP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000179435195 455047341 /nfs/dbraw/zinc/04/73/41/455047341.db2.gz HISNGLXOGDGHKD-MRXNPFEDSA-N 2 1 335.455 3.126 20 0 EGADMP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000179435204 455047451 /nfs/dbraw/zinc/04/74/51/455047451.db2.gz HISNGLXOGDGHKD-INIZCTEOSA-N 2 1 335.455 3.126 20 0 EGADMP C[C@@H]1CCC[C@](C[NH2+]C2CCN(c3ccccn3)CC2)([NH+](C)C)C1 ZINC000129429155 455111064 /nfs/dbraw/zinc/11/10/64/455111064.db2.gz YFTUUYQWKIHGKQ-XLIONFOSSA-N 2 1 330.520 3.151 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)cc2)n1 ZINC000118841873 455113470 /nfs/dbraw/zinc/11/34/70/455113470.db2.gz ABCKWYQYDXQNAK-LJQANCHMSA-N 2 1 326.488 3.263 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)cc2)n1 ZINC000118841873 455113472 /nfs/dbraw/zinc/11/34/72/455113472.db2.gz ABCKWYQYDXQNAK-LJQANCHMSA-N 2 1 326.488 3.263 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)cc2)n1 ZINC000118841873 455113476 /nfs/dbraw/zinc/11/34/76/455113476.db2.gz ABCKWYQYDXQNAK-LJQANCHMSA-N 2 1 326.488 3.263 20 0 EGADMP Cc1ccccc1C1(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCOCC1 ZINC000152411892 455115187 /nfs/dbraw/zinc/11/51/87/455115187.db2.gz SCEYMCGAWXCYLM-NSHGMRRFSA-N 2 1 330.516 3.362 20 0 EGADMP CCC[C@H](CCO)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000152462613 455123160 /nfs/dbraw/zinc/12/31/60/455123160.db2.gz FUUZJMXFFBINRL-GOSISDBHSA-N 2 1 336.495 3.221 20 0 EGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[C@@H]2CCO[C@@H]21 ZINC000180167225 455143606 /nfs/dbraw/zinc/14/36/06/455143606.db2.gz LGWGMPBKMLWYLR-XAYQJVIWSA-N 2 1 340.511 3.300 20 0 EGADMP C[N@H+]1CCCC[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000623657485 460665173 /nfs/dbraw/zinc/66/51/73/460665173.db2.gz ROZPDYIQKRQNBR-FQEVSTJZSA-N 2 1 329.532 3.015 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2cccs2)n1 ZINC000180470919 455176085 /nfs/dbraw/zinc/17/60/85/455176085.db2.gz ZTDVQSFMZKDQCF-MRXNPFEDSA-N 2 1 344.528 3.456 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2cccs2)n1 ZINC000180470919 455176089 /nfs/dbraw/zinc/17/60/89/455176089.db2.gz ZTDVQSFMZKDQCF-MRXNPFEDSA-N 2 1 344.528 3.456 20 0 EGADMP C[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000237539480 455192929 /nfs/dbraw/zinc/19/29/29/455192929.db2.gz BHYUEASTMJZXII-PXNSSMCTSA-N 2 1 339.483 3.103 20 0 EGADMP Cc1nn(C)c2ncc(C[NH2+]CCCC[N@@H+]3CCCC[C@H]3C)cc12 ZINC000237673053 455206026 /nfs/dbraw/zinc/20/60/26/455206026.db2.gz CSSHKFJHGNQWSM-OAHLLOKOSA-N 2 1 329.492 3.021 20 0 EGADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000264461458 455218413 /nfs/dbraw/zinc/21/84/13/455218413.db2.gz KQUTUZDYFUCYOR-HXUWFJFHSA-N 2 1 343.515 3.033 20 0 EGADMP CN(C(=O)C[C@H]1C=CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245737263 455369588 /nfs/dbraw/zinc/36/95/88/455369588.db2.gz TYXHMSWRNUBONY-DFQSSKMNSA-N 2 1 347.547 3.138 20 0 EGADMP CCOC(=O)CCCC[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000184751246 455441385 /nfs/dbraw/zinc/44/13/85/455441385.db2.gz RDZMKMOKSIVXHJ-HTZLVSCSSA-N 2 1 346.515 3.466 20 0 EGADMP C([NH+]1C[C@@H]2CCCC[C@@H]2C1)C1(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)COC1 ZINC000182219945 455464460 /nfs/dbraw/zinc/46/44/60/455464460.db2.gz KQQJUBWPYMADRW-FGYAAKKASA-N 2 1 332.532 3.247 20 0 EGADMP COc1ccccc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182263492 455475257 /nfs/dbraw/zinc/47/52/57/455475257.db2.gz SAPHORNLOOKWMK-LPHOPBHVSA-N 2 1 340.467 3.113 20 0 EGADMP CCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccn1 ZINC000182267327 455476922 /nfs/dbraw/zinc/47/69/22/455476922.db2.gz KNTYBRSABASAHA-VQTJNVASSA-N 2 1 339.483 3.279 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000246365602 455477691 /nfs/dbraw/zinc/47/76/91/455477691.db2.gz IUWAJEPYHYGNIJ-FASAQXTFSA-N 2 1 338.442 3.383 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000191522911 455494239 /nfs/dbraw/zinc/49/42/39/455494239.db2.gz ZTXLEHLJPKMMJI-ZWKOTPCHSA-N 2 1 348.535 3.195 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000191522911 455494244 /nfs/dbraw/zinc/49/42/44/455494244.db2.gz ZTXLEHLJPKMMJI-ZWKOTPCHSA-N 2 1 348.535 3.195 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000247026071 455547186 /nfs/dbraw/zinc/54/71/86/455547186.db2.gz LYHHFDDUNZLEMJ-MSOLQXFVSA-N 3 1 333.520 3.010 20 0 EGADMP CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000247026071 455547187 /nfs/dbraw/zinc/54/71/87/455547187.db2.gz LYHHFDDUNZLEMJ-MSOLQXFVSA-N 2 1 333.520 3.010 20 0 EGADMP CCC[N@H+]1CC[C@@H](CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000247026071 455547188 /nfs/dbraw/zinc/54/71/88/455547188.db2.gz LYHHFDDUNZLEMJ-MSOLQXFVSA-N 2 1 333.520 3.010 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192105829 455557275 /nfs/dbraw/zinc/55/72/75/455557275.db2.gz YHWQPDFAHXCGQZ-KBRIMQKVSA-N 2 1 326.843 3.383 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182646562 455559715 /nfs/dbraw/zinc/55/97/15/455559715.db2.gz QNPIHLBIRZJPER-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000247114770 455562056 /nfs/dbraw/zinc/56/20/56/455562056.db2.gz QVPLYYKFLLZEFS-DBXWQHBBSA-N 2 1 347.547 3.226 20 0 EGADMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000247114770 455562062 /nfs/dbraw/zinc/56/20/62/455562062.db2.gz QVPLYYKFLLZEFS-DBXWQHBBSA-N 2 1 347.547 3.226 20 0 EGADMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000247114770 455562066 /nfs/dbraw/zinc/56/20/66/455562066.db2.gz QVPLYYKFLLZEFS-DBXWQHBBSA-N 2 1 347.547 3.226 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1 ZINC000247114770 455562070 /nfs/dbraw/zinc/56/20/70/455562070.db2.gz QVPLYYKFLLZEFS-DBXWQHBBSA-N 2 1 347.547 3.226 20 0 EGADMP CCC(CC)(CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+][C@H](C)c1ccccc1 ZINC000601019076 460678272 /nfs/dbraw/zinc/67/82/72/460678272.db2.gz GRAZZTPWHGAIDT-MJGOQNOKSA-N 2 1 345.531 3.497 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247245879 455578375 /nfs/dbraw/zinc/57/83/75/455578375.db2.gz ZGAUGDQTOKQJIA-FXAWDEMLSA-N 2 1 329.532 3.143 20 0 EGADMP CC[N@@H+]1CC[C@@H](NCC(C)(C)[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247245879 455578377 /nfs/dbraw/zinc/57/83/77/455578377.db2.gz ZGAUGDQTOKQJIA-FXAWDEMLSA-N 2 1 329.532 3.143 20 0 EGADMP CC[N@H+]1CC[C@@H](NCC(C)(C)[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247245879 455578380 /nfs/dbraw/zinc/57/83/80/455578380.db2.gz ZGAUGDQTOKQJIA-FXAWDEMLSA-N 2 1 329.532 3.143 20 0 EGADMP CC[NH+]1CC[C@@H](NCC(C)(C)[N@@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247245879 455578384 /nfs/dbraw/zinc/57/83/84/455578384.db2.gz ZGAUGDQTOKQJIA-FXAWDEMLSA-N 2 1 329.532 3.143 20 0 EGADMP CC[NH+]1CC[C@@H](NCC(C)(C)[N@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247245879 455578386 /nfs/dbraw/zinc/57/83/86/455578386.db2.gz ZGAUGDQTOKQJIA-FXAWDEMLSA-N 2 1 329.532 3.143 20 0 EGADMP Cc1cccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000185707690 455602290 /nfs/dbraw/zinc/60/22/90/455602290.db2.gz HKFAQUYDFVRNQL-MSOLQXFVSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1cccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000185707690 455602294 /nfs/dbraw/zinc/60/22/94/455602294.db2.gz HKFAQUYDFVRNQL-MSOLQXFVSA-N 2 1 343.515 3.485 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CCCO1 ZINC000277666901 455629532 /nfs/dbraw/zinc/62/95/32/455629532.db2.gz FWAVWGUBPWOUGI-ZDUSSCGKSA-N 2 1 348.384 3.435 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CCCO1 ZINC000277666901 455629535 /nfs/dbraw/zinc/62/95/35/455629535.db2.gz FWAVWGUBPWOUGI-ZDUSSCGKSA-N 2 1 348.384 3.435 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2ccsc2)cc1 ZINC000277763692 455659481 /nfs/dbraw/zinc/65/94/81/455659481.db2.gz QOYMNHKXMBQSBA-UHFFFAOYSA-N 2 1 343.540 3.484 20 0 EGADMP CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)[nH]1 ZINC000271519061 455668868 /nfs/dbraw/zinc/66/88/68/455668868.db2.gz OEABROQYAPYQGI-HUUCEWRRSA-N 2 1 345.491 3.280 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2OC)[C@@H](C)C1 ZINC000248025880 455671842 /nfs/dbraw/zinc/67/18/42/455671842.db2.gz PANYCWBUDIPUEX-SCTDSRPQSA-N 2 1 334.504 3.483 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2OC)[C@@H](C)C1 ZINC000248025880 455671843 /nfs/dbraw/zinc/67/18/43/455671843.db2.gz PANYCWBUDIPUEX-SCTDSRPQSA-N 2 1 334.504 3.483 20 0 EGADMP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccn1 ZINC000271524007 455671935 /nfs/dbraw/zinc/67/19/35/455671935.db2.gz PVCPRJQVVONJQZ-XUVXKRRUSA-N 2 1 331.504 3.136 20 0 EGADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CCc1cccc(F)c1 ZINC000192740758 455683280 /nfs/dbraw/zinc/68/32/80/455683280.db2.gz DHLHNGUKYMLSET-UHFFFAOYSA-N 2 1 349.538 3.496 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186093719 455691866 /nfs/dbraw/zinc/69/18/66/455691866.db2.gz IZJFQWQYNAGSEV-HXUWFJFHSA-N 2 1 327.472 3.305 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186093719 455691868 /nfs/dbraw/zinc/69/18/68/455691868.db2.gz IZJFQWQYNAGSEV-HXUWFJFHSA-N 2 1 327.472 3.305 20 0 EGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(F)ccc1F ZINC000248178047 455694987 /nfs/dbraw/zinc/69/49/87/455694987.db2.gz VYNQNELUEGPZTJ-MAUKXSAKSA-N 2 1 326.431 3.242 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000248345092 455705861 /nfs/dbraw/zinc/70/58/61/455705861.db2.gz MJNUEVFNMRVDTD-LZJOCLMNSA-N 2 1 345.506 3.303 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+]3CCCC[C@H]23)CC[N@H+]1Cc1ccccc1 ZINC000268804443 455714251 /nfs/dbraw/zinc/71/42/51/455714251.db2.gz ZZBCNWCXTMTDER-AYWYSENESA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC[NH+]1Cc1ccccc1 ZINC000268804443 455714254 /nfs/dbraw/zinc/71/42/54/455714254.db2.gz ZZBCNWCXTMTDER-AYWYSENESA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCCC[C@H]23)CC[NH+]1Cc1ccccc1 ZINC000268804443 455714259 /nfs/dbraw/zinc/71/42/59/455714259.db2.gz ZZBCNWCXTMTDER-AYWYSENESA-N 2 1 327.516 3.256 20 0 EGADMP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192923164 455718233 /nfs/dbraw/zinc/71/82/33/455718233.db2.gz JMPALJXEOZTAKB-FCHUYYIVSA-N 2 1 338.495 3.356 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000271692562 455724637 /nfs/dbraw/zinc/72/46/37/455724637.db2.gz QZEAVVKGYWYADZ-LJQANCHMSA-N 2 1 329.444 3.340 20 0 EGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OC(F)F ZINC000278161343 455774321 /nfs/dbraw/zinc/77/43/21/455774321.db2.gz BMULNCZHTBRPDF-AGUYFDCRSA-N 2 1 326.387 3.011 20 0 EGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC(F)F ZINC000278161343 455774325 /nfs/dbraw/zinc/77/43/25/455774325.db2.gz BMULNCZHTBRPDF-AGUYFDCRSA-N 2 1 326.387 3.011 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3ccncc3)CC2)cc1 ZINC000269051346 455776108 /nfs/dbraw/zinc/77/61/08/455776108.db2.gz ZOLBRGUKHLPHDK-UHFFFAOYSA-N 2 1 327.447 3.060 20 0 EGADMP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000249973077 455783899 /nfs/dbraw/zinc/78/38/99/455783899.db2.gz KOSFVPRLLNQKKB-UQVNRYHBSA-N 2 1 328.500 3.038 20 0 EGADMP COc1ccc([C@H]2CCC[N@H+]2CCCn2ccnc2C)c(OC)c1 ZINC000269136964 455796782 /nfs/dbraw/zinc/79/67/82/455796782.db2.gz SROQLZMDZAHEKJ-GOSISDBHSA-N 2 1 329.444 3.436 20 0 EGADMP COc1ccc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2C)c(OC)c1 ZINC000269136964 455796788 /nfs/dbraw/zinc/79/67/88/455796788.db2.gz SROQLZMDZAHEKJ-GOSISDBHSA-N 2 1 329.444 3.436 20 0 EGADMP COc1cc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)ccc1OC(F)F ZINC000271878965 455797412 /nfs/dbraw/zinc/79/74/12/455797412.db2.gz OXBNXDUVKCPMRG-GFCCVEGCSA-N 2 1 326.387 3.209 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000186588832 455800443 /nfs/dbraw/zinc/80/04/43/455800443.db2.gz QCPGBPMUYWGSPL-UHFFFAOYSA-N 2 1 349.485 3.362 20 0 EGADMP c1ccc2c(c1)NCCC[C@@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000278363832 455829273 /nfs/dbraw/zinc/82/92/73/455829273.db2.gz BQOWOHFJLRRHQD-IBGZPJMESA-N 2 1 329.488 3.168 20 0 EGADMP C[N@H+](C[C@H]1CC(c2ccc(Cl)cc2)=NO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285379741 455833503 /nfs/dbraw/zinc/83/35/03/455833503.db2.gz CSLZUPWVLSTARB-UJJTZGENSA-N 2 1 347.890 3.390 20 0 EGADMP C[N@@H+](C[C@H]1CC(c2ccc(Cl)cc2)=NO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285379741 455833504 /nfs/dbraw/zinc/83/35/04/455833504.db2.gz CSLZUPWVLSTARB-UJJTZGENSA-N 2 1 347.890 3.390 20 0 EGADMP C[NH+](C[C@H]1CC(c2ccc(Cl)cc2)=NO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285379741 455833506 /nfs/dbraw/zinc/83/35/06/455833506.db2.gz CSLZUPWVLSTARB-UJJTZGENSA-N 2 1 347.890 3.390 20 0 EGADMP C[NH+](C[C@H]1CC(c2ccc(Cl)cc2)=NO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285379741 455833508 /nfs/dbraw/zinc/83/35/08/455833508.db2.gz CSLZUPWVLSTARB-UJJTZGENSA-N 2 1 347.890 3.390 20 0 EGADMP C[C@H](Cn1cccn1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285430274 455843957 /nfs/dbraw/zinc/84/39/57/455843957.db2.gz YOIFSLNYYSDVHL-QHGAOEGBSA-N 2 1 326.488 3.304 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC1CCC(=O)CC1 ZINC000296217883 455883788 /nfs/dbraw/zinc/88/37/88/455883788.db2.gz GMISYLFXFUASOP-UHFFFAOYSA-N 2 1 329.488 3.379 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1C ZINC000272293548 455904440 /nfs/dbraw/zinc/90/44/40/455904440.db2.gz FOSLOBIRZFMOCH-GJYPPUQNSA-N 2 1 326.488 3.290 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000261698040 455930431 /nfs/dbraw/zinc/93/04/31/455930431.db2.gz CSLOXLKTYLRSTL-MRXNPFEDSA-N 2 1 347.503 3.111 20 0 EGADMP CCn1cc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000285893380 455937266 /nfs/dbraw/zinc/93/72/66/455937266.db2.gz AXMBMZGNMZLHHV-UHFFFAOYSA-N 2 1 326.488 3.436 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1OCc1ccccc1 ZINC000261753950 455941422 /nfs/dbraw/zinc/94/14/22/455941422.db2.gz LIOCMBOSGCYJLR-NRFANRHFSA-N 2 1 340.467 3.445 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1OCc1ccccc1 ZINC000261753950 455941432 /nfs/dbraw/zinc/94/14/32/455941432.db2.gz LIOCMBOSGCYJLR-NRFANRHFSA-N 2 1 340.467 3.445 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000261783504 455947941 /nfs/dbraw/zinc/94/79/41/455947941.db2.gz BKYQNIFURYIIRM-IAGOWNOFSA-N 2 1 329.488 3.247 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261803725 455950944 /nfs/dbraw/zinc/95/09/44/455950944.db2.gz RFQMWJXKWMOYSK-ABSDTBQOSA-N 2 1 343.515 3.052 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261817659 455953149 /nfs/dbraw/zinc/95/31/49/455953149.db2.gz SIPSKTUBRUTIDS-ABSDTBQOSA-N 2 1 343.515 3.195 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000261843507 455958275 /nfs/dbraw/zinc/95/82/75/455958275.db2.gz VDVRNWNJSHNBBB-HHXXYDBFSA-N 2 1 329.488 3.375 20 0 EGADMP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000296506289 455958228 /nfs/dbraw/zinc/95/82/28/455958228.db2.gz PHLBJEHNKPGDRT-LXHROKJGSA-N 2 1 342.527 3.428 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC4CCCC4)CC3)C2)cc1 ZINC000286014728 455960827 /nfs/dbraw/zinc/96/08/27/455960827.db2.gz PNUFUVDLBZBHHV-OAQYLSRUSA-N 2 1 327.516 3.069 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)cc2)C1 ZINC000261966538 455978394 /nfs/dbraw/zinc/97/83/94/455978394.db2.gz SVDOEJLVXMIFKS-VQIMIIECSA-N 2 1 341.499 3.247 20 0 EGADMP CCC[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000296584255 455980776 /nfs/dbraw/zinc/98/07/76/455980776.db2.gz XATQZQWKVRCITH-DLBZAZTESA-N 2 1 331.504 3.065 20 0 EGADMP CCOc1cc2c(cc1OCC)C[N@H+](CCCn1cc[nH+]c1C)CC2 ZINC000270609173 455995111 /nfs/dbraw/zinc/99/51/11/455995111.db2.gz IANUSJYRBZCVSV-UHFFFAOYSA-N 2 1 343.471 3.437 20 0 EGADMP CCOc1cc2c(cc1OCC)C[N@@H+](CCCn1cc[nH+]c1C)CC2 ZINC000270609173 455995115 /nfs/dbraw/zinc/99/51/15/455995115.db2.gz IANUSJYRBZCVSV-UHFFFAOYSA-N 2 1 343.471 3.437 20 0 EGADMP CC1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)COC1 ZINC000286263279 456011248 /nfs/dbraw/zinc/01/12/48/456011248.db2.gz VBNLVHWNIJGSBZ-SLFFLAALSA-N 2 1 328.500 3.303 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000272612270 456013701 /nfs/dbraw/zinc/01/37/01/456013701.db2.gz ZMZHSKOJYZPKMV-NSHGMRRFSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000272612270 456013704 /nfs/dbraw/zinc/01/37/04/456013704.db2.gz ZMZHSKOJYZPKMV-NSHGMRRFSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000262303064 456022444 /nfs/dbraw/zinc/02/24/44/456022444.db2.gz QUFCQZJSJOAQOL-NXHRZFHOSA-N 2 1 329.488 3.375 20 0 EGADMP OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000286358581 456031923 /nfs/dbraw/zinc/03/19/23/456031923.db2.gz ZBOBJEAHNQPOGO-BIRZXAFVSA-N 2 1 340.511 3.204 20 0 EGADMP Brc1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cs1 ZINC000220379005 456040096 /nfs/dbraw/zinc/04/00/96/456040096.db2.gz RQAICXHJFOGJMG-NSHDSACASA-N 2 1 329.307 3.475 20 0 EGADMP Brc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cs1 ZINC000220379005 456040099 /nfs/dbraw/zinc/04/00/99/456040099.db2.gz RQAICXHJFOGJMG-NSHDSACASA-N 2 1 329.307 3.475 20 0 EGADMP CSc1cc2c(cc1C[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1)OCCO2 ZINC000271191773 456163595 /nfs/dbraw/zinc/16/35/95/456163595.db2.gz MEIUPEHTQOCGQD-ZFWWWQNUSA-N 2 1 336.501 3.094 20 0 EGADMP CSc1cc2c(cc1C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1)OCCO2 ZINC000271191773 456163599 /nfs/dbraw/zinc/16/35/99/456163599.db2.gz MEIUPEHTQOCGQD-ZFWWWQNUSA-N 2 1 336.501 3.094 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000236663563 456165240 /nfs/dbraw/zinc/16/52/40/456165240.db2.gz HDNDKRHZPSWDJL-YLJYHZDGSA-N 2 1 345.531 3.169 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000236687144 456170223 /nfs/dbraw/zinc/17/02/23/456170223.db2.gz NSJJBKZTUDJQQI-KRWDZBQOSA-N 2 1 345.531 3.300 20 0 EGADMP Cc1cc(N2CCN(C3=NC[C@H](C)S3)CC2)c2cc(F)ccc2n1 ZINC000301641972 456171248 /nfs/dbraw/zinc/17/12/48/456171248.db2.gz BRRNIIFOIDVMIP-ZDUSSCGKSA-N 2 1 344.459 3.296 20 0 EGADMP Cc1ccccc1C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000188929134 456172608 /nfs/dbraw/zinc/17/26/08/456172608.db2.gz GVURYZQWELNMCN-QFIPXVFZSA-N 2 1 338.495 3.153 20 0 EGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000301655023 456175457 /nfs/dbraw/zinc/17/54/57/456175457.db2.gz MEOXMAJKEMIGJM-NCOADZHNSA-N 2 1 339.524 3.237 20 0 EGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000301655023 456175460 /nfs/dbraw/zinc/17/54/60/456175460.db2.gz MEOXMAJKEMIGJM-NCOADZHNSA-N 2 1 339.524 3.237 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)CC2CC[NH2+]CC2)c1 ZINC000236726972 456175723 /nfs/dbraw/zinc/17/57/23/456175723.db2.gz RNPUQIUHXIWLQU-UHFFFAOYSA-N 2 1 345.531 3.315 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[C@H]2CCC[NH2+]C2)cc1)C(C)C ZINC000236994778 456216661 /nfs/dbraw/zinc/21/66/61/456216661.db2.gz BQKYGRIMRFHPGV-QGZVFWFLSA-N 2 1 331.504 3.036 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189185019 456248667 /nfs/dbraw/zinc/24/86/67/456248667.db2.gz OIBNLZUKTHQWRH-QHAWAJNXSA-N 2 1 330.516 3.224 20 0 EGADMP CCOCCC[N@H+]1CC[C@H](Nc2nc(C)nc3c2CCCC3)[C@H](C)C1 ZINC000302063197 456278181 /nfs/dbraw/zinc/27/81/81/456278181.db2.gz USNWVNTZTRQNKM-QAPCUYQASA-N 2 1 346.519 3.213 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297757344 456288136 /nfs/dbraw/zinc/28/81/36/456288136.db2.gz USRKIOYZZZUMDH-SFHVURJKSA-N 3 1 330.520 3.008 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2cnccc2C)[C@H](C)C1 ZINC000290387392 456313219 /nfs/dbraw/zinc/31/32/19/456313219.db2.gz OJRNVDCGRFCBRJ-QUCCMNQESA-N 2 1 333.520 3.049 20 0 EGADMP C[C@H]1C[C@@H]([NH+](C)Cc2c[nH]c3nccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000290440939 456330404 /nfs/dbraw/zinc/33/04/04/456330404.db2.gz NUSDFMQHVNOOPC-LPHOPBHVSA-N 2 1 349.482 3.443 20 0 EGADMP C[C@H]1C[C@@H]([NH+](C)Cc2c[nH]c3nccnc23)CC[N@H+]1Cc1ccccc1 ZINC000290440939 456330406 /nfs/dbraw/zinc/33/04/06/456330406.db2.gz NUSDFMQHVNOOPC-LPHOPBHVSA-N 2 1 349.482 3.443 20 0 EGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2c[nH]c3nccnc23)CC[NH+]1Cc1ccccc1 ZINC000290440939 456330412 /nfs/dbraw/zinc/33/04/12/456330412.db2.gz NUSDFMQHVNOOPC-LPHOPBHVSA-N 2 1 349.482 3.443 20 0 EGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2c[nH]c3nccnc23)CC[NH+]1Cc1ccccc1 ZINC000290440939 456330415 /nfs/dbraw/zinc/33/04/15/456330415.db2.gz NUSDFMQHVNOOPC-LPHOPBHVSA-N 2 1 349.482 3.443 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)N(C)c1ccccc1 ZINC000297945327 456331099 /nfs/dbraw/zinc/33/10/99/456331099.db2.gz AOYAREZMAHADDW-UHFFFAOYSA-N 2 1 342.487 3.211 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)N(C)c1ccccc1 ZINC000297945327 456331106 /nfs/dbraw/zinc/33/11/06/456331106.db2.gz AOYAREZMAHADDW-UHFFFAOYSA-N 2 1 342.487 3.211 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000281842392 456338452 /nfs/dbraw/zinc/33/84/52/456338452.db2.gz AQUKIWAXGRUYMB-UHFFFAOYSA-N 2 1 345.506 3.331 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc4occc4c3)cc2)CC1 ZINC000352830724 456345801 /nfs/dbraw/zinc/34/58/01/456345801.db2.gz VAJFPQMLQBYTIN-UHFFFAOYSA-N 2 1 349.478 3.470 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)CC1 ZINC000290530885 456354995 /nfs/dbraw/zinc/35/49/95/456354995.db2.gz QQRCPRPKPROYCB-KRWDZBQOSA-N 2 1 342.462 3.380 20 0 EGADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340316739 456382692 /nfs/dbraw/zinc/38/26/92/456382692.db2.gz IKVFMHODLKVFEF-CTNGQTDRSA-N 2 1 340.515 3.395 20 0 EGADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340316739 456382697 /nfs/dbraw/zinc/38/26/97/456382697.db2.gz IKVFMHODLKVFEF-CTNGQTDRSA-N 2 1 340.515 3.395 20 0 EGADMP c1csc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000352891696 456393772 /nfs/dbraw/zinc/39/37/72/456393772.db2.gz DUKHMKCCKLZRDF-LJQANCHMSA-N 2 1 341.524 3.140 20 0 EGADMP c1csc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000352891696 456393777 /nfs/dbraw/zinc/39/37/77/456393777.db2.gz DUKHMKCCKLZRDF-LJQANCHMSA-N 2 1 341.524 3.140 20 0 EGADMP O=C(c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1)N1CCCCC1 ZINC000298218483 456394828 /nfs/dbraw/zinc/39/48/28/456394828.db2.gz ADYDLXLDCAQWAH-UHFFFAOYSA-N 2 1 341.499 3.029 20 0 EGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298266680 456411298 /nfs/dbraw/zinc/41/12/98/456411298.db2.gz GCMANCGLGJRZOY-QGZVFWFLSA-N 3 1 330.520 3.151 20 0 EGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298266680 456411305 /nfs/dbraw/zinc/41/13/05/456411305.db2.gz GCMANCGLGJRZOY-QGZVFWFLSA-N 3 1 330.520 3.151 20 0 EGADMP COc1ccccc1[C@@H]1CC[N@@H+](Cc2ncc(CN(C)C)s2)C1 ZINC000347862745 456412361 /nfs/dbraw/zinc/41/23/61/456412361.db2.gz WUNQJZVTOYIBSZ-CQSZACIVSA-N 2 1 331.485 3.203 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cc(N2CCCC2)ncn1 ZINC000302862137 456419162 /nfs/dbraw/zinc/41/91/62/456419162.db2.gz VXAVOPLTMJSMQZ-WMZOPIPTSA-N 2 1 337.471 3.009 20 0 EGADMP COCc1cc(CNCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)no1 ZINC000298438115 456456834 /nfs/dbraw/zinc/45/68/34/456456834.db2.gz NJVQSKYDOFLWNS-MRXNPFEDSA-N 2 1 343.471 3.485 20 0 EGADMP COc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000340433605 456457676 /nfs/dbraw/zinc/45/76/76/456457676.db2.gz FMRQQXFEERCYNF-GASCZTMLSA-N 2 1 340.895 3.328 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc(-n2ccnn2)c1 ZINC000348087509 456469156 /nfs/dbraw/zinc/46/91/56/456469156.db2.gz PHQGWSRGNYXUNT-IAGOWNOFSA-N 2 1 327.476 3.182 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH+]1CCCC[C@H]1C)c1ccccc1 ZINC000340586150 456548905 /nfs/dbraw/zinc/54/89/05/456548905.db2.gz KIPCLKOIRNPTQE-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000340586150 456548910 /nfs/dbraw/zinc/54/89/10/456548910.db2.gz KIPCLKOIRNPTQE-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000340586150 456548915 /nfs/dbraw/zinc/54/89/15/456548915.db2.gz KIPCLKOIRNPTQE-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP COc1cc2[nH+]ccc(N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c2cc1OC ZINC000298832145 456550950 /nfs/dbraw/zinc/55/09/50/456550950.db2.gz HSTRHQKQDPKYPU-RHSMWYFYSA-N 2 1 341.455 3.173 20 0 EGADMP CCCC[C@@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353201693 456555316 /nfs/dbraw/zinc/55/53/16/456555316.db2.gz HRYLXGXCKHACIS-TZIWHRDSSA-N 2 1 343.515 3.019 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189144 456559139 /nfs/dbraw/zinc/55/91/39/456559139.db2.gz OYDKWOIQMWIDGO-WMLDXEAASA-N 2 1 344.421 3.403 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189144 456559147 /nfs/dbraw/zinc/55/91/47/456559147.db2.gz OYDKWOIQMWIDGO-WMLDXEAASA-N 2 1 344.421 3.403 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189144 456559154 /nfs/dbraw/zinc/55/91/54/456559154.db2.gz OYDKWOIQMWIDGO-WMLDXEAASA-N 2 1 344.421 3.403 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189144 456559157 /nfs/dbraw/zinc/55/91/57/456559157.db2.gz OYDKWOIQMWIDGO-WMLDXEAASA-N 2 1 344.421 3.403 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189144 456559162 /nfs/dbraw/zinc/55/91/62/456559162.db2.gz OYDKWOIQMWIDGO-WMLDXEAASA-N 2 1 344.421 3.403 20 0 EGADMP O[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000307946236 456571698 /nfs/dbraw/zinc/57/16/98/456571698.db2.gz JDVOUBWPZKFVSM-IAGOWNOFSA-N 2 1 344.421 3.192 20 0 EGADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000353245339 456583523 /nfs/dbraw/zinc/58/35/23/456583523.db2.gz UDDYLMGJYREVAW-OXJNMPFZSA-N 2 1 346.515 3.244 20 0 EGADMP C[C@H]([NH2+]CCC(=O)Nc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000299182478 456629215 /nfs/dbraw/zinc/62/92/15/456629215.db2.gz ZJEKBAWGHMUADD-DLBZAZTESA-N 2 1 329.488 3.258 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCC[NH+](C)[C@H]2C)cc1)C(C)C ZINC000343455459 456632478 /nfs/dbraw/zinc/63/24/78/456632478.db2.gz PXVRQQCXAGYEHI-QFBILLFUSA-N 2 1 331.504 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc1)C(C)C ZINC000343455459 456632483 /nfs/dbraw/zinc/63/24/83/456632483.db2.gz PXVRQQCXAGYEHI-QFBILLFUSA-N 2 1 331.504 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)cc1)C(C)C ZINC000343455459 456632488 /nfs/dbraw/zinc/63/24/88/456632488.db2.gz PXVRQQCXAGYEHI-QFBILLFUSA-N 2 1 331.504 3.129 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000353341829 456644917 /nfs/dbraw/zinc/64/49/17/456644917.db2.gz UVARAUGTBOEUTA-IBGZPJMESA-N 2 1 332.488 3.118 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)ccc1OC(F)F ZINC000322428445 456646967 /nfs/dbraw/zinc/64/69/67/456646967.db2.gz NWJWMNRLHHLFBD-UONOGXRCSA-N 2 1 328.403 3.246 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)ccc1OC(F)F ZINC000322428445 456646974 /nfs/dbraw/zinc/64/69/74/456646974.db2.gz NWJWMNRLHHLFBD-UONOGXRCSA-N 2 1 328.403 3.246 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCC[C@@H](C)C2)cc1 ZINC000338001954 456649398 /nfs/dbraw/zinc/64/93/98/456649398.db2.gz MQZQTDCTDUHJFG-GOSISDBHSA-N 2 1 345.531 3.380 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000338001954 456649404 /nfs/dbraw/zinc/64/94/04/456649404.db2.gz MQZQTDCTDUHJFG-GOSISDBHSA-N 2 1 345.531 3.380 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000338001954 456649406 /nfs/dbraw/zinc/64/94/06/456649406.db2.gz MQZQTDCTDUHJFG-GOSISDBHSA-N 2 1 345.531 3.380 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000343487596 456653174 /nfs/dbraw/zinc/65/31/74/456653174.db2.gz INEKQOILSHNBOM-UHFFFAOYSA-N 2 1 331.504 3.086 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353389349 456667158 /nfs/dbraw/zinc/66/71/58/456667158.db2.gz VFFFCMJGEXNUSX-ZCNNSNEGSA-N 2 1 342.462 3.282 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CSCCc3ccccc32)CCCO1 ZINC000348421350 456679522 /nfs/dbraw/zinc/67/95/22/456679522.db2.gz MZLLZQAWCNEWBE-LPHOPBHVSA-N 2 1 334.529 3.108 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338213294 456709903 /nfs/dbraw/zinc/70/99/03/456709903.db2.gz FZKIYDMOXXZIAI-NQIIRXRSSA-N 2 1 338.499 3.470 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338213294 456709909 /nfs/dbraw/zinc/70/99/09/456709909.db2.gz FZKIYDMOXXZIAI-NQIIRXRSSA-N 2 1 338.499 3.470 20 0 EGADMP Cc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)c(-c2cnn(C)c2)c1 ZINC000283143045 456720454 /nfs/dbraw/zinc/72/04/54/456720454.db2.gz WWOKDYZBTFKBGP-UHFFFAOYSA-N 2 1 326.488 3.313 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCO[C@@H]3CCCCO3)C2)CC1 ZINC000338238625 456724790 /nfs/dbraw/zinc/72/47/90/456724790.db2.gz UBNRENRRSJZTOO-WOJBJXKFSA-N 2 1 338.536 3.364 20 0 EGADMP Cc1cc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c2ccccc2[nH+]1 ZINC000301092358 456793498 /nfs/dbraw/zinc/79/34/98/456793498.db2.gz NCRQTQAFKPJVST-LJQANCHMSA-N 2 1 347.462 3.374 20 0 EGADMP CCO[C@H]1C[C@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C1(C)C ZINC000344178907 456802761 /nfs/dbraw/zinc/80/27/61/456802761.db2.gz WQVKDZDBMAWYNK-ROUUACIJSA-N 2 1 338.536 3.203 20 0 EGADMP CC(C)[C@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[NH+](C)C ZINC000348665370 456806972 /nfs/dbraw/zinc/80/69/72/456806972.db2.gz ZINSUZXDRWUVFQ-YLJYHZDGSA-N 2 1 345.531 3.121 20 0 EGADMP Cc1cnc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1C ZINC000353643949 456825666 /nfs/dbraw/zinc/82/56/66/456825666.db2.gz LOFPRDOMXVCOHZ-UHFFFAOYSA-N 2 1 338.499 3.217 20 0 EGADMP Cc1cnc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1C ZINC000353643949 456825673 /nfs/dbraw/zinc/82/56/73/456825673.db2.gz LOFPRDOMXVCOHZ-UHFFFAOYSA-N 2 1 338.499 3.217 20 0 EGADMP C[NH+](C)[C@H](CNC1CC[NH+](Cc2ccccn2)CC1)C1CCCCC1 ZINC000341470189 456867625 /nfs/dbraw/zinc/86/76/25/456867625.db2.gz WOYPVQZMSHGBKH-OAQYLSRUSA-N 2 1 344.547 3.146 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000292198934 456882864 /nfs/dbraw/zinc/88/28/64/456882864.db2.gz YCSCCHMKHFDAQL-WMZOPIPTSA-N 2 1 329.488 3.389 20 0 EGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@H](C)C(C)C)CC1 ZINC000338974187 456883547 /nfs/dbraw/zinc/88/35/47/456883547.db2.gz NTBJYYSDYIJRLV-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP COC(=O)C[C@@H]1CCC[N@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000353749772 456888633 /nfs/dbraw/zinc/88/86/33/456888633.db2.gz UAGCSNUPVXSHLK-SFHVURJKSA-N 2 1 332.488 3.172 20 0 EGADMP COC(=O)C[C@@H]1CCC[NH+]1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000353749772 456888636 /nfs/dbraw/zinc/88/86/36/456888636.db2.gz UAGCSNUPVXSHLK-SFHVURJKSA-N 2 1 332.488 3.172 20 0 EGADMP COC(=O)C[C@@H]1CCC[NH+]1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000353749772 456888640 /nfs/dbraw/zinc/88/86/40/456888640.db2.gz UAGCSNUPVXSHLK-SFHVURJKSA-N 2 1 332.488 3.172 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339068699 456926037 /nfs/dbraw/zinc/92/60/37/456926037.db2.gz PCZRTEFDUFUASO-PBASOCQRSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339068699 456926042 /nfs/dbraw/zinc/92/60/42/456926042.db2.gz PCZRTEFDUFUASO-PBASOCQRSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068699 456926046 /nfs/dbraw/zinc/92/60/46/456926046.db2.gz PCZRTEFDUFUASO-PBASOCQRSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339068699 456926049 /nfs/dbraw/zinc/92/60/49/456926049.db2.gz PCZRTEFDUFUASO-PBASOCQRSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068699 456926054 /nfs/dbraw/zinc/92/60/54/456926054.db2.gz PCZRTEFDUFUASO-PBASOCQRSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)CCN1C1CC[NH+](C)CC1 ZINC000349301416 456936596 /nfs/dbraw/zinc/93/65/96/456936596.db2.gz UXKHOFKTZWXVGN-HNNXBMFYSA-N 2 1 345.462 3.172 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)CCN1C1CC[NH+](C)CC1 ZINC000349301416 456936602 /nfs/dbraw/zinc/93/66/02/456936602.db2.gz UXKHOFKTZWXVGN-HNNXBMFYSA-N 2 1 345.462 3.172 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2cccc(C)n2)[C@H](C)C1 ZINC000353864823 456941922 /nfs/dbraw/zinc/94/19/22/456941922.db2.gz JXGZOWJNYZWKMV-YLJYHZDGSA-N 2 1 333.520 3.049 20 0 EGADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000345179525 456956074 /nfs/dbraw/zinc/95/60/74/456956074.db2.gz MQSQGAZMZDRAJA-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000345179525 456956076 /nfs/dbraw/zinc/95/60/76/456956076.db2.gz MQSQGAZMZDRAJA-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[C@H](C)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000349411891 456964648 /nfs/dbraw/zinc/96/46/48/456964648.db2.gz BMGYKYOVSBDEIQ-RCCFBDPRSA-N 2 1 326.525 3.013 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000341856685 456973738 /nfs/dbraw/zinc/97/37/38/456973738.db2.gz ZFRXDFULEFNEBX-QFBILLFUSA-N 2 1 329.488 3.055 20 0 EGADMP COc1cccc(OC(F)(F)F)c1CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000353948364 456975856 /nfs/dbraw/zinc/97/58/56/456975856.db2.gz UGQNHUJGDPJGQZ-WCQYABFASA-N 2 1 332.366 3.024 20 0 EGADMP COc1cccc(OC(F)(F)F)c1CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000353948363 456976217 /nfs/dbraw/zinc/97/62/17/456976217.db2.gz UGQNHUJGDPJGQZ-DGCLKSJQSA-N 2 1 332.366 3.024 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000354100645 457061489 /nfs/dbraw/zinc/06/14/89/457061489.db2.gz OMPSPIVITKIEQH-INIZCTEOSA-N 2 1 328.859 3.412 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000354100645 457061493 /nfs/dbraw/zinc/06/14/93/457061493.db2.gz OMPSPIVITKIEQH-INIZCTEOSA-N 2 1 328.859 3.412 20 0 EGADMP CCOCc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1OC ZINC000354101814 457063283 /nfs/dbraw/zinc/06/32/83/457063283.db2.gz WPCYPOXDMBXCRX-LJQANCHMSA-N 2 1 346.515 3.395 20 0 EGADMP CCOCc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1OC ZINC000354101814 457063286 /nfs/dbraw/zinc/06/32/86/457063286.db2.gz WPCYPOXDMBXCRX-LJQANCHMSA-N 2 1 346.515 3.395 20 0 EGADMP CCOCc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1OC ZINC000354101814 457063291 /nfs/dbraw/zinc/06/32/91/457063291.db2.gz WPCYPOXDMBXCRX-LJQANCHMSA-N 2 1 346.515 3.395 20 0 EGADMP CCOCc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1OC ZINC000354101814 457063297 /nfs/dbraw/zinc/06/32/97/457063297.db2.gz WPCYPOXDMBXCRX-LJQANCHMSA-N 2 1 346.515 3.395 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000356603747 457078810 /nfs/dbraw/zinc/07/88/10/457078810.db2.gz SGIXEHUUWGRDEM-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000356603747 457078819 /nfs/dbraw/zinc/07/88/19/457078819.db2.gz SGIXEHUUWGRDEM-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000356603747 457078824 /nfs/dbraw/zinc/07/88/24/457078824.db2.gz SGIXEHUUWGRDEM-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCc4ccncc4)cc3)C[C@H]21 ZINC000342098738 457107129 /nfs/dbraw/zinc/10/71/29/457107129.db2.gz ISANXRKMNHTERL-HMXCVIKNSA-N 2 1 337.467 3.220 20 0 EGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000339426537 457109883 /nfs/dbraw/zinc/10/98/83/457109883.db2.gz NULZWIKZCBYUQS-YADHBBJMSA-N 2 1 338.495 3.161 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000339426537 457109888 /nfs/dbraw/zinc/10/98/88/457109888.db2.gz NULZWIKZCBYUQS-YADHBBJMSA-N 2 1 338.495 3.161 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000339426537 457109893 /nfs/dbraw/zinc/10/98/93/457109893.db2.gz NULZWIKZCBYUQS-YADHBBJMSA-N 2 1 338.495 3.161 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)C[NH+](C)C(C)C)cc1)C1CC1 ZINC000356748733 457147205 /nfs/dbraw/zinc/14/72/05/457147205.db2.gz WHIHMFFMTUQGKF-INIZCTEOSA-N 2 1 331.504 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1)C1CC1 ZINC000356748733 457147215 /nfs/dbraw/zinc/14/72/15/457147215.db2.gz WHIHMFFMTUQGKF-INIZCTEOSA-N 2 1 331.504 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1)C1CC1 ZINC000356748733 457147219 /nfs/dbraw/zinc/14/72/19/457147219.db2.gz WHIHMFFMTUQGKF-INIZCTEOSA-N 2 1 331.504 3.129 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000359925071 457151431 /nfs/dbraw/zinc/15/14/31/457151431.db2.gz KRQMQENAJOABDA-DBXWQHBBSA-N 3 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000359925071 457151436 /nfs/dbraw/zinc/15/14/36/457151436.db2.gz KRQMQENAJOABDA-DBXWQHBBSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000359925071 457151441 /nfs/dbraw/zinc/15/14/41/457151441.db2.gz KRQMQENAJOABDA-DBXWQHBBSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)C[C@H]2C)C1 ZINC000359925071 457151445 /nfs/dbraw/zinc/15/14/45/457151445.db2.gz KRQMQENAJOABDA-DBXWQHBBSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)C[C@H]2C)C1 ZINC000359925071 457151449 /nfs/dbraw/zinc/15/14/49/457151449.db2.gz KRQMQENAJOABDA-DBXWQHBBSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCc2[nH+]ccn21)c1ccccc1 ZINC000354254180 457157190 /nfs/dbraw/zinc/15/71/90/457157190.db2.gz KAVJHURZLQZWDE-DOTOQJQBSA-N 2 1 340.471 3.006 20 0 EGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000362930766 457162207 /nfs/dbraw/zinc/16/22/07/457162207.db2.gz NOMXZVRAFMKFME-UHFFFAOYSA-N 2 1 346.515 3.456 20 0 EGADMP Brc1c[nH+]ccc1NCCCCC[NH+]1CCCCC1 ZINC000342207952 457169188 /nfs/dbraw/zinc/16/91/88/457169188.db2.gz POAMGQMNQXIAGG-UHFFFAOYSA-N 2 1 326.282 3.334 20 0 EGADMP Fc1ccc(C[N@@H+](CCc2ccccn2)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346841427 457180843 /nfs/dbraw/zinc/18/08/43/457180843.db2.gz VYLYRZQBJGGHDX-GOSISDBHSA-N 2 1 327.447 3.265 20 0 EGADMP CCCCOc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346842232 457182377 /nfs/dbraw/zinc/18/23/77/457182377.db2.gz HTOABXZCNXHUMD-KSZLIROESA-N 2 1 332.488 3.433 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCOC1 ZINC000356849506 457182878 /nfs/dbraw/zinc/18/28/78/457182878.db2.gz PNWIDYJQAJDLLT-IIMDRIAPSA-N 2 1 346.515 3.201 20 0 EGADMP C[N@H+](Cc1c[nH]nc1-c1c(F)cccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347044360 457201574 /nfs/dbraw/zinc/20/15/74/457201574.db2.gz NBCDACVRTRXXHT-PBWFPOADSA-N 2 1 332.398 3.070 20 0 EGADMP C[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347044360 457201578 /nfs/dbraw/zinc/20/15/78/457201578.db2.gz NBCDACVRTRXXHT-PBWFPOADSA-N 2 1 332.398 3.070 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000347051844 457204652 /nfs/dbraw/zinc/20/46/52/457204652.db2.gz RLWNQJVZPLFNPO-QFBILLFUSA-N 2 1 325.456 3.220 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000347065437 457212596 /nfs/dbraw/zinc/21/25/96/457212596.db2.gz LDIPAEGQMLZBTA-LJQANCHMSA-N 2 1 325.456 3.092 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000347065437 457212603 /nfs/dbraw/zinc/21/26/03/457212603.db2.gz LDIPAEGQMLZBTA-LJQANCHMSA-N 2 1 325.456 3.092 20 0 EGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cn(C)nc2-c2cccs2)CC1 ZINC000360060663 457232831 /nfs/dbraw/zinc/23/28/31/457232831.db2.gz QWSNQCHKGSNVOT-UHFFFAOYSA-N 2 1 332.517 3.453 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2-c2cccs2)CC1 ZINC000360060663 457232834 /nfs/dbraw/zinc/23/28/34/457232834.db2.gz QWSNQCHKGSNVOT-UHFFFAOYSA-N 2 1 332.517 3.453 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347205579 457287222 /nfs/dbraw/zinc/28/72/22/457287222.db2.gz LUGHMOQFZVOYDR-KXBFYZLASA-N 2 1 326.488 3.107 20 0 EGADMP C[N@@H+](Cc1ccc(Br)c2cccnc12)C1CC[NH2+]CC1 ZINC000347210099 457290360 /nfs/dbraw/zinc/29/03/60/457290360.db2.gz OSEFQQNDZHVLOG-UHFFFAOYSA-N 2 1 334.261 3.181 20 0 EGADMP CCOc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000351472287 457298031 /nfs/dbraw/zinc/29/80/31/457298031.db2.gz AOEQPLABDZMWHS-BMGDILEWSA-N 2 1 343.496 3.378 20 0 EGADMP CCOc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000351472287 457298033 /nfs/dbraw/zinc/29/80/33/457298033.db2.gz AOEQPLABDZMWHS-BMGDILEWSA-N 2 1 343.496 3.378 20 0 EGADMP CCOc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000351472292 457298769 /nfs/dbraw/zinc/29/87/69/457298769.db2.gz AOEQPLABDZMWHS-QGTPRVQTSA-N 2 1 343.496 3.378 20 0 EGADMP CCOc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000351472292 457298774 /nfs/dbraw/zinc/29/87/74/457298774.db2.gz AOEQPLABDZMWHS-QGTPRVQTSA-N 2 1 343.496 3.378 20 0 EGADMP FC(F)n1c2ccccc2nc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357093550 457318147 /nfs/dbraw/zinc/31/81/47/457318147.db2.gz WMKBZKLKSFKIOC-CQSZACIVSA-N 2 1 334.414 3.253 20 0 EGADMP Cc1nc2ccccn2c1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000352009221 457329357 /nfs/dbraw/zinc/32/93/57/457329357.db2.gz TYSIKQKSBQUGPU-GOSISDBHSA-N 2 1 332.451 3.280 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C[C@H]2CCC[C@H]2[NH3+])c1 ZINC000340114888 457336535 /nfs/dbraw/zinc/33/65/35/457336535.db2.gz CAGGFQAWLMXWMX-WOJBJXKFSA-N 2 1 345.531 3.442 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000357178103 457360697 /nfs/dbraw/zinc/36/06/97/457360697.db2.gz KYSPSZLEHRWOEB-HNNXBMFYSA-N 2 1 327.476 3.439 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000357178103 457360701 /nfs/dbraw/zinc/36/07/01/457360701.db2.gz KYSPSZLEHRWOEB-HNNXBMFYSA-N 2 1 327.476 3.439 20 0 EGADMP Cc1cccc(NCC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000357227907 457385304 /nfs/dbraw/zinc/38/53/04/457385304.db2.gz GWZLATFYYZHGQG-QUCCMNQESA-N 2 1 338.499 3.302 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+]C3CCC(C)(C)CC3)cc2)CC1 ZINC000360865676 457392577 /nfs/dbraw/zinc/39/25/77/457392577.db2.gz QRLZCBUUAVUYOK-UHFFFAOYSA-N 2 1 329.532 3.492 20 0 EGADMP C[C@H](CCSc1ccccc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363754524 457443734 /nfs/dbraw/zinc/44/37/34/457443734.db2.gz VTZNBBHURMPMHP-MOPGFXCFSA-N 2 1 347.572 3.269 20 0 EGADMP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352534901 457446446 /nfs/dbraw/zinc/44/64/46/457446446.db2.gz KLZPMEWGQSDMSX-INIZCTEOSA-N 2 1 328.378 3.203 20 0 EGADMP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352534901 457446450 /nfs/dbraw/zinc/44/64/50/457446450.db2.gz KLZPMEWGQSDMSX-INIZCTEOSA-N 2 1 328.378 3.203 20 0 EGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000352540675 457450900 /nfs/dbraw/zinc/45/09/00/457450900.db2.gz OBZXPAIQGICGJC-CYBMUJFWSA-N 2 1 334.357 3.470 20 0 EGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000352540675 457450906 /nfs/dbraw/zinc/45/09/06/457450906.db2.gz OBZXPAIQGICGJC-CYBMUJFWSA-N 2 1 334.357 3.470 20 0 EGADMP Cn1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)c(-c2ccccc2)n1 ZINC000352539746 457451671 /nfs/dbraw/zinc/45/16/71/457451671.db2.gz CIQYJIGFVNBMFG-UHFFFAOYSA-N 2 1 326.488 3.428 20 0 EGADMP CC[C@@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000425232694 457466726 /nfs/dbraw/zinc/46/67/26/457466726.db2.gz FPICVQIGZVAZJE-PXNSSMCTSA-N 2 1 345.531 3.086 20 0 EGADMP CC1CC[NH+](CCCCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000370044712 457514993 /nfs/dbraw/zinc/51/49/93/457514993.db2.gz GYZPGZZJTNTBGA-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCN1Cc1ccccc1 ZINC000357434652 457524006 /nfs/dbraw/zinc/52/40/06/457524006.db2.gz CDUNECJHFBXSLS-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000357434652 457524018 /nfs/dbraw/zinc/52/40/18/457524018.db2.gz CDUNECJHFBXSLS-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000357434652 457524024 /nfs/dbraw/zinc/52/40/24/457524024.db2.gz CDUNECJHFBXSLS-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000357434652 457524032 /nfs/dbraw/zinc/52/40/32/457524032.db2.gz CDUNECJHFBXSLS-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000357434652 457524039 /nfs/dbraw/zinc/52/40/39/457524039.db2.gz CDUNECJHFBXSLS-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP CCSc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000364229683 457535774 /nfs/dbraw/zinc/53/57/74/457535774.db2.gz XYYZZQXFJUYJFI-QXAKKESOSA-N 2 1 334.529 3.482 20 0 EGADMP CCSc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000364229683 457535777 /nfs/dbraw/zinc/53/57/77/457535777.db2.gz XYYZZQXFJUYJFI-QXAKKESOSA-N 2 1 334.529 3.482 20 0 EGADMP COC(=O)[C@H](CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000425421988 457546581 /nfs/dbraw/zinc/54/65/81/457546581.db2.gz RZBYGHMWLIEMQY-RBUKOAKNSA-N 2 1 332.488 3.140 20 0 EGADMP COC(=O)[C@H](CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000425421988 457546586 /nfs/dbraw/zinc/54/65/86/457546586.db2.gz RZBYGHMWLIEMQY-RBUKOAKNSA-N 2 1 332.488 3.140 20 0 EGADMP COC(=O)[C@H](CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000425421988 457546592 /nfs/dbraw/zinc/54/65/92/457546592.db2.gz RZBYGHMWLIEMQY-RBUKOAKNSA-N 2 1 332.488 3.140 20 0 EGADMP COC(=O)[C@H](CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000425421988 457546597 /nfs/dbraw/zinc/54/65/97/457546597.db2.gz RZBYGHMWLIEMQY-RBUKOAKNSA-N 2 1 332.488 3.140 20 0 EGADMP COC(=O)[C@H](CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000425422887 457547536 /nfs/dbraw/zinc/54/75/36/457547536.db2.gz SUVXTEOMZXYBHU-WOJBJXKFSA-N 2 1 344.499 3.284 20 0 EGADMP Cc1ccc(OCCC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000374424357 457623128 /nfs/dbraw/zinc/62/31/28/457623128.db2.gz ZNCUSXJDGRIZEO-HMXCVIKNSA-N 2 1 346.515 3.256 20 0 EGADMP c1cn(CCC[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000370360733 457629772 /nfs/dbraw/zinc/62/97/72/457629772.db2.gz ZXRDHVKTTBHURT-OAQYLSRUSA-N 2 1 338.499 3.261 20 0 EGADMP c1cn(CCC[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000370360733 457629777 /nfs/dbraw/zinc/62/97/77/457629777.db2.gz ZXRDHVKTTBHURT-OAQYLSRUSA-N 2 1 338.499 3.261 20 0 EGADMP c1cn(CCC[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000370360733 457629780 /nfs/dbraw/zinc/62/97/80/457629780.db2.gz ZXRDHVKTTBHURT-OAQYLSRUSA-N 2 1 338.499 3.261 20 0 EGADMP Cc1ccc([C@H]2CCC[C@H]2[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000370631062 457686351 /nfs/dbraw/zinc/68/63/51/457686351.db2.gz ZVFSZLMQQVRINL-NHCUHLMSSA-N 2 1 329.532 3.248 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000357789900 457690517 /nfs/dbraw/zinc/69/05/17/457690517.db2.gz FSCUZIZFNLOBPK-QWFCFKBJSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000357789900 457690519 /nfs/dbraw/zinc/69/05/19/457690519.db2.gz FSCUZIZFNLOBPK-QWFCFKBJSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000357789900 457690522 /nfs/dbraw/zinc/69/05/22/457690522.db2.gz FSCUZIZFNLOBPK-QWFCFKBJSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000370653447 457691769 /nfs/dbraw/zinc/69/17/69/457691769.db2.gz LZIFVBNBSTZBBA-UYAOXDASSA-N 2 1 326.488 3.373 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000357829867 457703381 /nfs/dbraw/zinc/70/33/81/457703381.db2.gz OSFNPCGEMSUCLD-SFHVURJKSA-N 2 1 345.531 3.408 20 0 EGADMP CCc1ccc([C@H](CC)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000361354532 457704100 /nfs/dbraw/zinc/70/41/00/457704100.db2.gz DXIASEKVQZUAGX-FQEVSTJZSA-N 2 1 345.531 3.232 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)cc1O ZINC000365187316 457729590 /nfs/dbraw/zinc/72/95/90/457729590.db2.gz ZOHSNLQKHMUEKC-RDJZCZTQSA-N 2 1 332.488 3.328 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)cc1O ZINC000365187316 457729594 /nfs/dbraw/zinc/72/95/94/457729594.db2.gz ZOHSNLQKHMUEKC-RDJZCZTQSA-N 2 1 332.488 3.328 20 0 EGADMP CC(C)Sc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000358059672 457759658 /nfs/dbraw/zinc/75/96/58/457759658.db2.gz IVTNEUYLYISPPK-UHFFFAOYSA-N 2 1 335.561 3.256 20 0 EGADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000361523984 457769691 /nfs/dbraw/zinc/76/96/91/457769691.db2.gz IBIZMOTXKRAFAJ-AZUAARDMSA-N 2 1 347.547 3.118 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000358086794 457776975 /nfs/dbraw/zinc/77/69/75/457776975.db2.gz OTYYILRXMDOXHJ-XJKCOSOUSA-N 2 1 338.879 3.320 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000358086794 457776984 /nfs/dbraw/zinc/77/69/84/457776984.db2.gz OTYYILRXMDOXHJ-XJKCOSOUSA-N 2 1 338.879 3.320 20 0 EGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCc3nn(C)cc32)CC1 ZINC000366415626 457811439 /nfs/dbraw/zinc/81/14/39/457811439.db2.gz BJEJPAXJCGDVLI-HXUWFJFHSA-N 2 1 338.499 3.360 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1O ZINC000426404789 457823003 /nfs/dbraw/zinc/82/30/03/457823003.db2.gz JRZMYLCYBYAJGI-YESZJQIVSA-N 2 1 334.504 3.432 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[N@H+]2CCC[C@H](C)C2)cc1O ZINC000426404789 457823011 /nfs/dbraw/zinc/82/30/11/457823011.db2.gz JRZMYLCYBYAJGI-YESZJQIVSA-N 2 1 334.504 3.432 20 0 EGADMP Cc1nnc([C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000411223747 457833967 /nfs/dbraw/zinc/83/39/67/457833967.db2.gz YVMOEFJAKNOSOS-HNNXBMFYSA-N 2 1 327.476 3.018 20 0 EGADMP Cc1nnc([C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000411223747 457833970 /nfs/dbraw/zinc/83/39/70/457833970.db2.gz YVMOEFJAKNOSOS-HNNXBMFYSA-N 2 1 327.476 3.018 20 0 EGADMP Cn1cc([C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)cn1 ZINC000411273513 457846256 /nfs/dbraw/zinc/84/62/56/457846256.db2.gz OJAOPGBGDIMBNU-HXUWFJFHSA-N 2 1 338.499 3.396 20 0 EGADMP C[C@H](CCNc1cc(N2CCCC2)ncn1)[N@@H+](C)Cc1ccccc1 ZINC000433771265 457881491 /nfs/dbraw/zinc/88/14/91/457881491.db2.gz OMQYTYVUQVGWGW-QGZVFWFLSA-N 2 1 339.487 3.399 20 0 EGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3cnc4cc(C)ccn34)C1)CCCC2 ZINC000433767578 457882436 /nfs/dbraw/zinc/88/24/36/457882436.db2.gz UNVLTGZZLYGCGR-QGZVFWFLSA-N 2 1 349.482 3.473 20 0 EGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3cnc4cc(C)ccn34)C1)CCCC2 ZINC000433767578 457882441 /nfs/dbraw/zinc/88/24/41/457882441.db2.gz UNVLTGZZLYGCGR-QGZVFWFLSA-N 2 1 349.482 3.473 20 0 EGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000358248935 457885469 /nfs/dbraw/zinc/88/54/69/457885469.db2.gz HUZRHYIDZBGLJY-CVEARBPZSA-N 2 1 329.271 3.101 20 0 EGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000358248935 457885472 /nfs/dbraw/zinc/88/54/72/457885472.db2.gz HUZRHYIDZBGLJY-CVEARBPZSA-N 2 1 329.271 3.101 20 0 EGADMP CCC[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358254255 457891069 /nfs/dbraw/zinc/89/10/69/457891069.db2.gz PIHZDCIRFCPJJT-CVEARBPZSA-N 2 1 331.287 3.491 20 0 EGADMP CCC[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358254255 457891064 /nfs/dbraw/zinc/89/10/64/457891064.db2.gz PIHZDCIRFCPJJT-CVEARBPZSA-N 2 1 331.287 3.491 20 0 EGADMP Cc1cccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000426771552 457898348 /nfs/dbraw/zinc/89/83/48/457898348.db2.gz DBWLCWXHLCOLAB-HDICACEKSA-N 2 1 331.504 3.101 20 0 EGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000358267978 457900391 /nfs/dbraw/zinc/90/03/91/457900391.db2.gz QZXFZMIXVVSTDX-ROUUACIJSA-N 2 1 343.515 3.133 20 0 EGADMP CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000361859527 457913448 /nfs/dbraw/zinc/91/34/48/457913448.db2.gz DWLJMFCVZCSDBH-SFHVURJKSA-N 2 1 347.503 3.350 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(OC)c2)[C@H](C)C1 ZINC000358295424 457916898 /nfs/dbraw/zinc/91/68/98/457916898.db2.gz FCWSRDINNGMNAB-DNVCBOLYSA-N 2 1 338.467 3.061 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(OC)c2)[C@H](C)C1 ZINC000358295424 457916905 /nfs/dbraw/zinc/91/69/05/457916905.db2.gz FCWSRDINNGMNAB-DNVCBOLYSA-N 2 1 338.467 3.061 20 0 EGADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361892595 457936959 /nfs/dbraw/zinc/93/69/59/457936959.db2.gz WLYUPAQSCMCAGA-VXKWHMMOSA-N 2 1 336.479 3.209 20 0 EGADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361892595 457936967 /nfs/dbraw/zinc/93/69/67/457936967.db2.gz WLYUPAQSCMCAGA-VXKWHMMOSA-N 2 1 336.479 3.209 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(CCO)CCCCC2)[C@@H](C)C1 ZINC000361921721 457956110 /nfs/dbraw/zinc/95/61/10/457956110.db2.gz CMVBJBYEFPNKKQ-RBUKOAKNSA-N 2 1 340.552 3.046 20 0 EGADMP CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000358379451 457965938 /nfs/dbraw/zinc/96/59/38/457965938.db2.gz FPQOEGRRIIGULK-HKUYNNGSSA-N 2 1 345.531 3.276 20 0 EGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000361957211 457978214 /nfs/dbraw/zinc/97/82/14/457978214.db2.gz JQZOTXIKOMZLBP-SOUVJXGZSA-N 2 1 347.894 3.444 20 0 EGADMP Clc1cccc(-c2noc(CC[N@H+]3CCC4(C3)CC[NH2+]CC4)n2)c1 ZINC000358521965 458054750 /nfs/dbraw/zinc/05/47/50/458054750.db2.gz ZAUOLQIFIOYQHG-UHFFFAOYSA-N 2 1 346.862 3.008 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+][C@@](C)(Cc1ccccc1)c1ccccc1)C1CC1 ZINC000412112495 458096052 /nfs/dbraw/zinc/09/60/52/458096052.db2.gz VRBWSWRNKOOILL-YADHBBJMSA-N 2 1 338.495 3.189 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@](C)(Cc1ccccc1)c1ccccc1)C1CC1 ZINC000412112495 458096055 /nfs/dbraw/zinc/09/60/55/458096055.db2.gz VRBWSWRNKOOILL-YADHBBJMSA-N 2 1 338.495 3.189 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412161930 458112238 /nfs/dbraw/zinc/11/22/38/458112238.db2.gz QIOBGMYCCFFSTJ-FQEVSTJZSA-N 2 1 343.515 3.229 20 0 EGADMP CSc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000375903578 458116964 /nfs/dbraw/zinc/11/69/64/458116964.db2.gz IEHUFUOWRWDRLN-SFHVURJKSA-N 2 1 333.545 3.009 20 0 EGADMP c1[nH+]cn2c1C[C@H](c1nc(-c3ccc(C[NH+]4CCCC4)cc3)no1)CC2 ZINC000371908411 458117968 /nfs/dbraw/zinc/11/79/68/458117968.db2.gz CPRBKFSHYROOOD-QGZVFWFLSA-N 2 1 349.438 3.259 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000435372889 458123179 /nfs/dbraw/zinc/12/31/79/458123179.db2.gz LIMLGLIDPJELBA-DYVFJYSZSA-N 2 1 346.906 3.371 20 0 EGADMP COc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])ccc1OCC(F)(F)F ZINC000435374028 458124848 /nfs/dbraw/zinc/12/48/48/458124848.db2.gz PHUGCPNKRQZDEH-UHFFFAOYSA-N 2 1 334.382 3.053 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000435375848 458125798 /nfs/dbraw/zinc/12/57/98/458125798.db2.gz XCWXXLHEHQJGME-LPHOPBHVSA-N 2 1 340.467 3.443 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000435375848 458125805 /nfs/dbraw/zinc/12/58/05/458125805.db2.gz XCWXXLHEHQJGME-LPHOPBHVSA-N 2 1 340.467 3.443 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000435377287 458126112 /nfs/dbraw/zinc/12/61/12/458126112.db2.gz ZWMNFSCFORBSOK-CXAGYDPISA-N 2 1 346.906 3.371 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cc2)cs1 ZINC000435376941 458126928 /nfs/dbraw/zinc/12/69/28/458126928.db2.gz WKZHRQOUOAJDBX-CZUORRHYSA-N 2 1 331.485 3.200 20 0 EGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000435377881 458127885 /nfs/dbraw/zinc/12/78/85/458127885.db2.gz GEPQOCFRIMXJQY-HNNXBMFYSA-N 2 1 343.858 3.373 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[C@@H]1[NH3+] ZINC000435379722 458128708 /nfs/dbraw/zinc/12/87/08/458128708.db2.gz KJVLWCNWPQFCSM-DOMZBBRYSA-N 2 1 338.377 3.060 20 0 EGADMP C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[C@H]1[NH3+] ZINC000435378826 458128979 /nfs/dbraw/zinc/12/89/79/458128979.db2.gz KDRPPIUIDOMYSL-OXJNMPFZSA-N 2 1 347.466 3.103 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[C@H]1[NH3+] ZINC000435378826 458128984 /nfs/dbraw/zinc/12/89/84/458128984.db2.gz KDRPPIUIDOMYSL-OXJNMPFZSA-N 2 1 347.466 3.103 20 0 EGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000435387432 458131832 /nfs/dbraw/zinc/13/18/32/458131832.db2.gz AFMLVCOBVPRZHM-QGZVFWFLSA-N 2 1 326.488 3.010 20 0 EGADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H](C[NH3+])C2)o1 ZINC000435388039 458132365 /nfs/dbraw/zinc/13/23/65/458132365.db2.gz DOOBRFDOGXHQAW-INIZCTEOSA-N 2 1 336.439 3.221 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3OCc3cccnc3)C[C@H]21 ZINC000435384898 458132962 /nfs/dbraw/zinc/13/29/62/458132962.db2.gz OTAVXNWYKJAZHT-MISYRCLQSA-N 2 1 337.467 3.220 20 0 EGADMP CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1C ZINC000412229432 458135939 /nfs/dbraw/zinc/13/59/39/458135939.db2.gz JPVDSELUTPAJHY-ZWKOTPCHSA-N 2 1 343.515 3.227 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000428453603 458145524 /nfs/dbraw/zinc/14/55/24/458145524.db2.gz PPIOFLVCUZSDRV-UHFFFAOYSA-N 2 1 340.458 3.237 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000428453603 458145529 /nfs/dbraw/zinc/14/55/29/458145529.db2.gz PPIOFLVCUZSDRV-UHFFFAOYSA-N 2 1 340.458 3.237 20 0 EGADMP CN(CC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435625411 458175937 /nfs/dbraw/zinc/17/59/37/458175937.db2.gz IAYHLHWPYRNYIH-NRFANRHFSA-N 2 1 338.499 3.162 20 0 EGADMP CN(CC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435625411 458175940 /nfs/dbraw/zinc/17/59/40/458175940.db2.gz IAYHLHWPYRNYIH-NRFANRHFSA-N 2 1 338.499 3.162 20 0 EGADMP CCN(C(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1)[C@H](C)c1ccc(F)cc1 ZINC000435626057 458176094 /nfs/dbraw/zinc/17/60/94/458176094.db2.gz NIPVQOWIAOPJAO-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CCN(C(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1)[C@H](C)c1ccc(F)cc1 ZINC000435626057 458176101 /nfs/dbraw/zinc/17/61/01/458176101.db2.gz NIPVQOWIAOPJAO-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP Cc1cccc(C)c1C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435692806 458185171 /nfs/dbraw/zinc/18/51/71/458185171.db2.gz KHDCYAQOVAFPBG-LJQANCHMSA-N 2 1 338.499 3.181 20 0 EGADMP Cc1cccc(C)c1C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435692806 458185177 /nfs/dbraw/zinc/18/51/77/458185177.db2.gz KHDCYAQOVAFPBG-LJQANCHMSA-N 2 1 338.499 3.181 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCCCC2)CC1)CC(C)C ZINC000358745546 458187593 /nfs/dbraw/zinc/18/75/93/458187593.db2.gz OZIHFYNXNNSCHC-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP COC[C@@H]1CCCC[NH+](CCCC[N@@H+]2CCCC[C@H](COC)C2)C1 ZINC000372109740 458197246 /nfs/dbraw/zinc/19/72/46/458197246.db2.gz VNKLUQKPJNQBMI-BGYRXZFFSA-N 2 1 340.552 3.264 20 0 EGADMP COC[C@@H]1CCCC[N@@H+](CCCC[NH+]2CCCC[C@H](COC)C2)C1 ZINC000372109740 458197251 /nfs/dbraw/zinc/19/72/51/458197251.db2.gz VNKLUQKPJNQBMI-BGYRXZFFSA-N 2 1 340.552 3.264 20 0 EGADMP COC[C@@H]1CCCC[N@H+](CCCC[NH+]2CCCC[C@H](COC)C2)C1 ZINC000372109740 458197257 /nfs/dbraw/zinc/19/72/57/458197257.db2.gz VNKLUQKPJNQBMI-BGYRXZFFSA-N 2 1 340.552 3.264 20 0 EGADMP C[NH2+]CCC[N@@H+]1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 ZINC000435873329 458216208 /nfs/dbraw/zinc/21/62/08/458216208.db2.gz UOZDRYPHEYJCED-HNNXBMFYSA-N 2 1 330.472 3.256 20 0 EGADMP C[NH2+]CCC[N@H+]1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 ZINC000435873329 458216211 /nfs/dbraw/zinc/21/62/11/458216211.db2.gz UOZDRYPHEYJCED-HNNXBMFYSA-N 2 1 330.472 3.256 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c(F)c1 ZINC000412561994 458233393 /nfs/dbraw/zinc/23/33/93/458233393.db2.gz VMAZFRAWOGAQNB-SFHVURJKSA-N 2 1 333.451 3.233 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000428978631 458246197 /nfs/dbraw/zinc/24/61/97/458246197.db2.gz KRULSVWMWSHQBU-VQIMIIECSA-N 2 1 331.504 3.036 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000362551942 458264115 /nfs/dbraw/zinc/26/41/15/458264115.db2.gz KBONVBOZFWHEQM-GJYPPUQNSA-N 2 1 329.488 3.055 20 0 EGADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000362551942 458264123 /nfs/dbraw/zinc/26/41/23/458264123.db2.gz KBONVBOZFWHEQM-GJYPPUQNSA-N 2 1 329.488 3.055 20 0 EGADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000362551942 458264129 /nfs/dbraw/zinc/26/41/29/458264129.db2.gz KBONVBOZFWHEQM-GJYPPUQNSA-N 2 1 329.488 3.055 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000362554210 458267057 /nfs/dbraw/zinc/26/70/57/458267057.db2.gz UNSJSJKSSDEOSP-QAPCUYQASA-N 2 1 340.471 3.191 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000362554210 458267060 /nfs/dbraw/zinc/26/70/60/458267060.db2.gz UNSJSJKSSDEOSP-QAPCUYQASA-N 2 1 340.471 3.191 20 0 EGADMP C[N@H+](CC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1)Cc1ccccc1 ZINC000436233779 458273730 /nfs/dbraw/zinc/27/37/30/458273730.db2.gz UMBLVIGGVFGBSC-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1)Cc1ccccc1 ZINC000436233779 458273739 /nfs/dbraw/zinc/27/37/39/458273739.db2.gz UMBLVIGGVFGBSC-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)Cc1ccccc1 ZINC000436233779 458273746 /nfs/dbraw/zinc/27/37/46/458273746.db2.gz UMBLVIGGVFGBSC-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)Cc1ccccc1 ZINC000436233779 458273756 /nfs/dbraw/zinc/27/37/56/458273756.db2.gz UMBLVIGGVFGBSC-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP CCOC(=O)C1CCC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000436278570 458280529 /nfs/dbraw/zinc/28/05/29/458280529.db2.gz AVUZHOMQBZFOGT-FAFZWHIHSA-N 2 1 336.520 3.495 20 0 EGADMP COc1ccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000436403416 458300189 /nfs/dbraw/zinc/30/01/89/458300189.db2.gz APENXWOYWQHFGJ-MJGOQNOKSA-N 2 1 339.483 3.481 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC000447565501 458312651 /nfs/dbraw/zinc/31/26/51/458312651.db2.gz LQWPINXJCZZPIK-UYAOXDASSA-N 2 1 344.547 3.004 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC000447565501 458312654 /nfs/dbraw/zinc/31/26/54/458312654.db2.gz LQWPINXJCZZPIK-UYAOXDASSA-N 2 1 344.547 3.004 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000447565501 458312657 /nfs/dbraw/zinc/31/26/57/458312657.db2.gz LQWPINXJCZZPIK-UYAOXDASSA-N 2 1 344.547 3.004 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC000447565501 458312659 /nfs/dbraw/zinc/31/26/59/458312659.db2.gz LQWPINXJCZZPIK-UYAOXDASSA-N 2 1 344.547 3.004 20 0 EGADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc21 ZINC000447564498 458313009 /nfs/dbraw/zinc/31/30/09/458313009.db2.gz XGIHLAYSNBKYHE-LSTHTHJFSA-N 2 1 343.515 3.048 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000429392146 458327906 /nfs/dbraw/zinc/32/79/06/458327906.db2.gz DPCIKXOMQJXXAC-KRWDZBQOSA-N 2 1 331.504 3.038 20 0 EGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@@H]3C3CC3)C2)cc1 ZINC000429414111 458330505 /nfs/dbraw/zinc/33/05/05/458330505.db2.gz XKTXDXOSLODKKG-NJYVYQBISA-N 2 1 328.500 3.446 20 0 EGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@@H]3C3CC3)C2)cc1 ZINC000429414111 458330508 /nfs/dbraw/zinc/33/05/08/458330508.db2.gz XKTXDXOSLODKKG-NJYVYQBISA-N 2 1 328.500 3.446 20 0 EGADMP CC(C)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCC(C)CC1 ZINC000459369650 458347136 /nfs/dbraw/zinc/34/71/36/458347136.db2.gz QPZIXAIIVWIYBV-OAQYLSRUSA-N 3 1 344.547 3.397 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC1CC[NH+](C2CC2)CC1 ZINC000459464426 458380109 /nfs/dbraw/zinc/38/01/09/458380109.db2.gz OVUCFFGYCAXQHD-NSHDSACASA-N 2 1 344.425 3.340 20 0 EGADMP C[N@H+]1CCN(CCC[NH2+]C2CC3(CCC3)C2)[C@@H](c2ccccc2)C1 ZINC000448072184 458386793 /nfs/dbraw/zinc/38/67/93/458386793.db2.gz ZMMXGWMOFQAUEO-HXUWFJFHSA-N 2 1 327.516 3.288 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Cl)c1OC ZINC000373067752 458389815 /nfs/dbraw/zinc/38/98/15/458389815.db2.gz INSGLYLUQPYTRR-GJZGRUSLSA-N 2 1 338.879 3.464 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(Cl)c1OC ZINC000373067752 458389819 /nfs/dbraw/zinc/38/98/19/458389819.db2.gz INSGLYLUQPYTRR-GJZGRUSLSA-N 2 1 338.879 3.464 20 0 EGADMP CC[NH+](CC)CCSC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000430100584 458400868 /nfs/dbraw/zinc/40/08/68/458400868.db2.gz VMAMPSRYBBYQBG-IBGZPJMESA-N 2 1 336.545 3.353 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(SCC(F)F)cc1 ZINC000423502572 458444572 /nfs/dbraw/zinc/44/45/72/458444572.db2.gz FBXPCTNCXDAPIC-JSGCOSHPSA-N 2 1 330.444 3.073 20 0 EGADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000459675414 458444670 /nfs/dbraw/zinc/44/46/70/458444670.db2.gz MKAFDTRHFCNSRW-YZGWKJHDSA-N 2 1 325.456 3.373 20 0 EGADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000459675414 458444672 /nfs/dbraw/zinc/44/46/72/458444672.db2.gz MKAFDTRHFCNSRW-YZGWKJHDSA-N 2 1 325.456 3.373 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)cc1 ZINC000423603999 458462717 /nfs/dbraw/zinc/46/27/17/458462717.db2.gz GPWHHWZXPMKOKN-UGSOOPFHSA-N 2 1 343.858 3.146 20 0 EGADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1C[NH3+] ZINC000430570578 458463832 /nfs/dbraw/zinc/46/38/32/458463832.db2.gz ZBOCQJFYYRLYQF-DOMZBBRYSA-N 2 1 343.393 3.093 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1C[NH3+] ZINC000430570578 458463836 /nfs/dbraw/zinc/46/38/36/458463836.db2.gz ZBOCQJFYYRLYQF-DOMZBBRYSA-N 2 1 343.393 3.093 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000423720213 458475864 /nfs/dbraw/zinc/47/58/64/458475864.db2.gz AJWLETJZXGNYTQ-CYJAXWMASA-N 2 1 329.488 3.184 20 0 EGADMP C[C@H](C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000437848323 458501898 /nfs/dbraw/zinc/50/18/98/458501898.db2.gz TUSBPRKIMFZDAW-SFNKJDCFSA-N 2 1 335.536 3.161 20 0 EGADMP C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000437848323 458501901 /nfs/dbraw/zinc/50/19/01/458501901.db2.gz TUSBPRKIMFZDAW-SFNKJDCFSA-N 2 1 335.536 3.161 20 0 EGADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000437848323 458501902 /nfs/dbraw/zinc/50/19/02/458501902.db2.gz TUSBPRKIMFZDAW-SFNKJDCFSA-N 2 1 335.536 3.161 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430924226 458505915 /nfs/dbraw/zinc/50/59/15/458505915.db2.gz IJJVMYAMACEOPR-QGZVFWFLSA-N 2 1 337.467 3.224 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000437878891 458506490 /nfs/dbraw/zinc/50/64/90/458506490.db2.gz RGNYTRQTSVMUCW-VQTJNVASSA-N 2 1 347.547 3.307 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000437878891 458506496 /nfs/dbraw/zinc/50/64/96/458506496.db2.gz RGNYTRQTSVMUCW-VQTJNVASSA-N 2 1 347.547 3.307 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000437878891 458506498 /nfs/dbraw/zinc/50/64/98/458506498.db2.gz RGNYTRQTSVMUCW-VQTJNVASSA-N 2 1 347.547 3.307 20 0 EGADMP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423909737 458511149 /nfs/dbraw/zinc/51/11/49/458511149.db2.gz UJPVBLYBXJLBLU-SBHAEUEKSA-N 2 1 343.515 3.017 20 0 EGADMP CC(C)n1nccc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373497278 458511201 /nfs/dbraw/zinc/51/12/01/458511201.db2.gz SCUDTSXYMYRKSX-MJGOQNOKSA-N 2 1 326.488 3.464 20 0 EGADMP CC(C)n1nccc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373497278 458511205 /nfs/dbraw/zinc/51/12/05/458511205.db2.gz SCUDTSXYMYRKSX-MJGOQNOKSA-N 2 1 326.488 3.464 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000431056728 458522055 /nfs/dbraw/zinc/52/20/55/458522055.db2.gz FHJOWQVQEBFLNY-RBUKOAKNSA-N 2 1 331.504 3.052 20 0 EGADMP C[C@@H](C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000423968791 458524500 /nfs/dbraw/zinc/52/45/00/458524500.db2.gz KRFMEAGJYKHFRH-PXNSSMCTSA-N 2 1 339.483 3.103 20 0 EGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431087180 458527696 /nfs/dbraw/zinc/52/76/96/458527696.db2.gz PLQHITQFUWOXBE-INIZCTEOSA-N 2 1 330.476 3.415 20 0 EGADMP Cc1cc(N2CCC[N@H+]([C@H](C)CO)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000468744345 458533006 /nfs/dbraw/zinc/53/30/06/458533006.db2.gz QPJHGHPHHVAWGT-OAHLLOKOSA-N 2 1 347.890 3.398 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424169783 458576533 /nfs/dbraw/zinc/57/65/33/458576533.db2.gz HJFUHNIKMKWFHW-GBESFXJTSA-N 2 1 335.536 3.007 20 0 EGADMP Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[NH+](C)C)cc1 ZINC000438555726 458598376 /nfs/dbraw/zinc/59/83/76/458598376.db2.gz RMOUWZRERYCFLD-WOJBJXKFSA-N 2 1 343.515 3.121 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000469989189 458604118 /nfs/dbraw/zinc/60/41/18/458604118.db2.gz DXWBCIDWNBNAKM-KBPBESRZSA-N 2 1 325.294 3.484 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000469989189 458604123 /nfs/dbraw/zinc/60/41/23/458604123.db2.gz DXWBCIDWNBNAKM-KBPBESRZSA-N 2 1 325.294 3.484 20 0 EGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000469973668 458604431 /nfs/dbraw/zinc/60/44/31/458604431.db2.gz NIHUIWYESYIPNK-GOSISDBHSA-N 2 1 344.499 3.495 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000469973668 458604436 /nfs/dbraw/zinc/60/44/36/458604436.db2.gz NIHUIWYESYIPNK-GOSISDBHSA-N 2 1 344.499 3.495 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000469973668 458604439 /nfs/dbraw/zinc/60/44/39/458604439.db2.gz NIHUIWYESYIPNK-GOSISDBHSA-N 2 1 344.499 3.495 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000469973668 458604446 /nfs/dbraw/zinc/60/44/46/458604446.db2.gz NIHUIWYESYIPNK-GOSISDBHSA-N 2 1 344.499 3.495 20 0 EGADMP CC[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1)[NH+](CC)CC ZINC000469986933 458604905 /nfs/dbraw/zinc/60/49/05/458604905.db2.gz HYGAPYCZHPCKBW-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1sccc1Br)CC[NH2+]CC2 ZINC000424299008 458608519 /nfs/dbraw/zinc/60/85/19/458608519.db2.gz VIRHKKWIXRCEDK-NSHDSACASA-N 2 1 329.307 3.475 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c(Cl)c1 ZINC000424316990 458613503 /nfs/dbraw/zinc/61/35/03/458613503.db2.gz QSMFCKQUHYIZND-OAHLLOKOSA-N 2 1 339.911 3.027 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431741866 458615118 /nfs/dbraw/zinc/61/51/18/458615118.db2.gz SGZZMUKZYBHCEG-UYAOXDASSA-N 2 1 345.531 3.450 20 0 EGADMP COc1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1OC(C)C ZINC000424369366 458626024 /nfs/dbraw/zinc/62/60/24/458626024.db2.gz BHKQQTITBBCBHG-INIZCTEOSA-N 2 1 332.488 3.446 20 0 EGADMP CC(C)c1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)nc(N(C)C)[nH+]1 ZINC000462852971 458661570 /nfs/dbraw/zinc/66/15/70/458661570.db2.gz MKFWUBJJLMRCOB-INIZCTEOSA-N 2 1 331.508 3.121 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000502798246 458670354 /nfs/dbraw/zinc/67/03/54/458670354.db2.gz ZQPIZLFGIVMNJE-SJORKVTESA-N 2 1 348.535 3.145 20 0 EGADMP CCN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000494635242 458715427 /nfs/dbraw/zinc/71/54/27/458715427.db2.gz FVFQCNZTWYIZNF-YZGWKJHDSA-N 2 1 343.515 3.203 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439483885 458716365 /nfs/dbraw/zinc/71/63/65/458716365.db2.gz BKFXKSGTQMKHIP-FXAWDEMLSA-N 2 1 347.503 3.416 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439483885 458716371 /nfs/dbraw/zinc/71/63/71/458716371.db2.gz BKFXKSGTQMKHIP-FXAWDEMLSA-N 2 1 347.503 3.416 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)COc2ccccc2O1 ZINC000530211665 458717755 /nfs/dbraw/zinc/71/77/55/458717755.db2.gz NWVBNEOSZYCESK-LQWHRVPQSA-N 2 1 338.451 3.299 20 0 EGADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547430667 458739131 /nfs/dbraw/zinc/73/91/31/458739131.db2.gz GGAYKSNTHXQIPL-UHFFFAOYSA-N 2 1 345.531 3.231 20 0 EGADMP CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000472092419 458767099 /nfs/dbraw/zinc/76/70/99/458767099.db2.gz BYOAFNCNSMGBIM-ZWKOTPCHSA-N 2 1 340.556 3.013 20 0 EGADMP COc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc(Cl)c1OC ZINC000518354064 458859763 /nfs/dbraw/zinc/85/97/63/458859763.db2.gz ZABRWUZJBBUAQQ-SWLSCSKDSA-N 2 1 326.868 3.129 20 0 EGADMP COc1cc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc(Cl)c1OC ZINC000518354064 458859770 /nfs/dbraw/zinc/85/97/70/458859770.db2.gz ZABRWUZJBBUAQQ-SWLSCSKDSA-N 2 1 326.868 3.129 20 0 EGADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc(Cl)c1OC ZINC000518354064 458859781 /nfs/dbraw/zinc/85/97/81/458859781.db2.gz ZABRWUZJBBUAQQ-SWLSCSKDSA-N 2 1 326.868 3.129 20 0 EGADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc(Cl)c1OC ZINC000518354064 458859786 /nfs/dbraw/zinc/85/97/86/458859786.db2.gz ZABRWUZJBBUAQQ-SWLSCSKDSA-N 2 1 326.868 3.129 20 0 EGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc(Cl)c1OC ZINC000518354064 458859788 /nfs/dbraw/zinc/85/97/88/458859788.db2.gz ZABRWUZJBBUAQQ-SWLSCSKDSA-N 2 1 326.868 3.129 20 0 EGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc(Cl)c1OC ZINC000518354064 458859793 /nfs/dbraw/zinc/85/97/93/458859793.db2.gz ZABRWUZJBBUAQQ-SWLSCSKDSA-N 2 1 326.868 3.129 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)cc1 ZINC000457104774 458868220 /nfs/dbraw/zinc/86/82/20/458868220.db2.gz BTUSNCCHRWAPGC-HXUWFJFHSA-N 2 1 345.531 3.473 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000457104774 458868225 /nfs/dbraw/zinc/86/82/25/458868225.db2.gz BTUSNCCHRWAPGC-HXUWFJFHSA-N 2 1 345.531 3.473 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000457104774 458868229 /nfs/dbraw/zinc/86/82/29/458868229.db2.gz BTUSNCCHRWAPGC-HXUWFJFHSA-N 2 1 345.531 3.473 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H](C)c3ccccc3F)CC2)CC1 ZINC000441010084 458876117 /nfs/dbraw/zinc/87/61/17/458876117.db2.gz ACAHQWQOTYCAMU-KRWDZBQOSA-N 2 1 333.495 3.377 20 0 EGADMP CCOC(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000495736037 458934968 /nfs/dbraw/zinc/93/49/68/458934968.db2.gz ZPZGGVRYWHNLQD-OALUTQOASA-N 2 1 345.487 3.032 20 0 EGADMP CCOC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000495736037 458934972 /nfs/dbraw/zinc/93/49/72/458934972.db2.gz ZPZGGVRYWHNLQD-OALUTQOASA-N 2 1 345.487 3.032 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(C)CCCCC3)CC2)CC1 ZINC000566442281 458935162 /nfs/dbraw/zinc/93/51/62/458935162.db2.gz QQKMASKVMZFKOR-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000475339882 458936636 /nfs/dbraw/zinc/93/66/36/458936636.db2.gz WHYHBVSXGXXVTI-CWJKEVGVSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CC[NH2+]C2CC2)c1 ZINC000566475216 458944661 /nfs/dbraw/zinc/94/46/61/458944661.db2.gz XKOFYDMADUUILU-UHFFFAOYSA-N 2 1 326.444 3.135 20 0 EGADMP C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000495885852 458992768 /nfs/dbraw/zinc/99/27/68/458992768.db2.gz NXCKKVOBMHOZBQ-OWCLPIDISA-N 2 1 331.460 3.024 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@H](C)c3cnccn3)C2)s1 ZINC000577324064 459014524 /nfs/dbraw/zinc/01/45/24/459014524.db2.gz HNBRVHAZRDMTAN-HZPDHXFCSA-N 2 1 330.501 3.361 20 0 EGADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000442810578 459040492 /nfs/dbraw/zinc/04/04/92/459040492.db2.gz MRIGONYSZPOZEI-TXVWBRJLSA-N 2 1 328.500 3.444 20 0 EGADMP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496124988 459076331 /nfs/dbraw/zinc/07/63/31/459076331.db2.gz QUONLAKZLVNOMK-HOTGVXAUSA-N 2 1 339.524 3.286 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000443064690 459081779 /nfs/dbraw/zinc/08/17/79/459081779.db2.gz YQIMNKGVUATRQY-KRWDZBQOSA-N 2 1 329.513 3.489 20 0 EGADMP Cc1sc2[nH]c([C@@H](C)[N@@H+]3CCC[C@H](CC[NH3+])C3)nc(=O)c2c1C ZINC000443068907 459082493 /nfs/dbraw/zinc/08/24/93/459082493.db2.gz IWOFUROCBZYAKM-DGCLKSJQSA-N 2 1 334.489 3.136 20 0 EGADMP Cc1sc2[nH]c([C@@H](C)[N@H+]3CCC[C@H](CC[NH3+])C3)nc(=O)c2c1C ZINC000443068907 459082499 /nfs/dbraw/zinc/08/24/99/459082499.db2.gz IWOFUROCBZYAKM-DGCLKSJQSA-N 2 1 334.489 3.136 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC[N@@H+]1C ZINC000496242272 459121800 /nfs/dbraw/zinc/12/18/00/459121800.db2.gz FKFMWCKRLVQSKY-KURKYZTESA-N 2 1 345.487 3.112 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC[N@H+]1C ZINC000496242272 459121805 /nfs/dbraw/zinc/12/18/05/459121805.db2.gz FKFMWCKRLVQSKY-KURKYZTESA-N 2 1 345.487 3.112 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC[N@@H+]1C ZINC000496242269 459121836 /nfs/dbraw/zinc/12/18/36/459121836.db2.gz FKFMWCKRLVQSKY-FGTMMUONSA-N 2 1 345.487 3.112 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC[N@H+]1C ZINC000496242269 459121841 /nfs/dbraw/zinc/12/18/41/459121841.db2.gz FKFMWCKRLVQSKY-FGTMMUONSA-N 2 1 345.487 3.112 20 0 EGADMP COc1ccccc1[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000577963866 459124365 /nfs/dbraw/zinc/12/43/65/459124365.db2.gz QWCBRBRDTBQRIS-AOIWGVFYSA-N 2 1 331.504 3.082 20 0 EGADMP Cc1cccc2c1cc[nH+]c2N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000578013357 459131758 /nfs/dbraw/zinc/13/17/58/459131758.db2.gz OKKQUWLXBNXEME-RBUKOAKNSA-N 2 1 325.456 3.266 20 0 EGADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c2ccccc21 ZINC000567673679 459142115 /nfs/dbraw/zinc/14/21/15/459142115.db2.gz ADEFGMXEQUZJNR-ROUUACIJSA-N 2 1 339.487 3.246 20 0 EGADMP CC[C@H]1CCC[C@@H](NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000578521085 459214717 /nfs/dbraw/zinc/21/47/17/459214717.db2.gz LRMLKLIYRMFJPM-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)N1CCC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000590809695 459228803 /nfs/dbraw/zinc/22/88/03/459228803.db2.gz KTQZJQSUQROLFD-GOSISDBHSA-N 2 1 331.504 3.012 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000590809695 459228806 /nfs/dbraw/zinc/22/88/06/459228806.db2.gz KTQZJQSUQROLFD-GOSISDBHSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000590809695 459228813 /nfs/dbraw/zinc/22/88/13/459228813.db2.gz KTQZJQSUQROLFD-GOSISDBHSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000590809695 459228820 /nfs/dbraw/zinc/22/88/20/459228820.db2.gz KTQZJQSUQROLFD-GOSISDBHSA-N 2 1 331.504 3.012 20 0 EGADMP Cc1ncc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1C ZINC000568269776 459261059 /nfs/dbraw/zinc/26/10/59/459261059.db2.gz XHTKQISHTXRMHT-VQIMIIECSA-N 2 1 326.488 3.119 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2c[nH]c3nccnc23)C[N@H+]1Cc1ccccc1 ZINC000568337491 459268674 /nfs/dbraw/zinc/26/86/74/459268674.db2.gz MNRSXOJRZAVGFF-SJLPKXTDSA-N 2 1 349.482 3.300 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000482132107 459291533 /nfs/dbraw/zinc/29/15/33/459291533.db2.gz ZBGPDFCWLWUXSK-KXBFYZLASA-N 2 1 340.458 3.234 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000496721280 459300034 /nfs/dbraw/zinc/30/00/34/459300034.db2.gz PEUUMRWGADTUJA-HZPDHXFCSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000496734269 459304856 /nfs/dbraw/zinc/30/48/56/459304856.db2.gz MLIBPTCIQCSYNE-UHFFFAOYSA-N 2 1 327.513 3.048 20 0 EGADMP C[N@@H+](CCCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000496787826 459324177 /nfs/dbraw/zinc/32/41/77/459324177.db2.gz WFNBEYPGXZRTDL-INIZCTEOSA-N 2 1 339.524 3.240 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)[NH+]1CCCCC1 ZINC000591158777 459325382 /nfs/dbraw/zinc/32/53/82/459325382.db2.gz HUFDGWZRQXQMPR-LJQANCHMSA-N 2 1 337.552 3.076 20 0 EGADMP Cc1ccc(C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C(C)C)cc1 ZINC000482886585 459330177 /nfs/dbraw/zinc/33/01/77/459330177.db2.gz IXFQIAOKGIWFFP-SFTDATJTSA-N 2 1 332.532 3.389 20 0 EGADMP Cc1nccn1CCC[N@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496807378 459331895 /nfs/dbraw/zinc/33/18/95/459331895.db2.gz CLILHMXRJAZZFL-OAHLLOKOSA-N 2 1 342.443 3.231 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496807378 459331901 /nfs/dbraw/zinc/33/19/01/459331901.db2.gz CLILHMXRJAZZFL-OAHLLOKOSA-N 2 1 342.443 3.231 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496807378 459331904 /nfs/dbraw/zinc/33/19/04/459331904.db2.gz CLILHMXRJAZZFL-OAHLLOKOSA-N 2 1 342.443 3.231 20 0 EGADMP C[N@H+]1CC[C@]2(CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)C2)C1 ZINC000496826281 459338052 /nfs/dbraw/zinc/33/80/52/459338052.db2.gz FHNTVCUUTXCIAY-IBGZPJMESA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+]1CC[C@]2(CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C2)C1 ZINC000496826281 459338058 /nfs/dbraw/zinc/33/80/58/459338058.db2.gz FHNTVCUUTXCIAY-IBGZPJMESA-N 2 1 339.524 3.050 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C2)C1 ZINC000496826281 459338065 /nfs/dbraw/zinc/33/80/65/459338065.db2.gz FHNTVCUUTXCIAY-IBGZPJMESA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C2)C1 ZINC000496826281 459338067 /nfs/dbraw/zinc/33/80/67/459338067.db2.gz FHNTVCUUTXCIAY-IBGZPJMESA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C2)C1 ZINC000496826281 459338075 /nfs/dbraw/zinc/33/80/75/459338075.db2.gz FHNTVCUUTXCIAY-IBGZPJMESA-N 2 1 339.524 3.050 20 0 EGADMP CC[N@@H+](C)C[C@H](O)CN[C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000568764257 459340985 /nfs/dbraw/zinc/34/09/85/459340985.db2.gz OPTHYRSRBNPLFH-SUMWQHHRSA-N 2 1 333.501 3.082 20 0 EGADMP CCN(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000568764257 459340989 /nfs/dbraw/zinc/34/09/89/459340989.db2.gz OPTHYRSRBNPLFH-SUMWQHHRSA-N 2 1 333.501 3.082 20 0 EGADMP CSc1cccc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000524156085 459348024 /nfs/dbraw/zinc/34/80/24/459348024.db2.gz IBIGMDBMLPKPOE-UHFFFAOYSA-N 2 1 349.544 3.399 20 0 EGADMP CSc1cccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000524156085 459348029 /nfs/dbraw/zinc/34/80/29/459348029.db2.gz IBIGMDBMLPKPOE-UHFFFAOYSA-N 2 1 349.544 3.399 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000483179168 459348936 /nfs/dbraw/zinc/34/89/36/459348936.db2.gz HWYJTWCPRQUWST-BLLLJJGKSA-N 2 1 343.284 3.451 20 0 EGADMP COc1nc2ccccc2cc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000560966683 459407753 /nfs/dbraw/zinc/40/77/53/459407753.db2.gz IXBMPNNDQWPYFC-LPHOPBHVSA-N 2 1 325.456 3.207 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000560966683 459407757 /nfs/dbraw/zinc/40/77/57/459407757.db2.gz IXBMPNNDQWPYFC-LPHOPBHVSA-N 2 1 325.456 3.207 20 0 EGADMP CCCCOc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000484749290 459429855 /nfs/dbraw/zinc/42/98/55/459429855.db2.gz QJKLWIRDDQKXHV-NJYVYQBISA-N 2 1 346.515 3.155 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497121157 459448934 /nfs/dbraw/zinc/44/89/34/459448934.db2.gz WJMDGWMZICUPKC-YESZJQIVSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000497198677 459482462 /nfs/dbraw/zinc/48/24/62/459482462.db2.gz YHBQGCNAVYUPEW-YYIAUSFCSA-N 2 1 339.524 3.142 20 0 EGADMP CCC(CC)(CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000486248898 459494796 /nfs/dbraw/zinc/49/47/96/459494796.db2.gz HNQARBGQWCUCEK-JENIJYKNSA-N 2 1 345.531 3.210 20 0 EGADMP O=C(NC[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1)Nc1ccccc1 ZINC000569795430 459511216 /nfs/dbraw/zinc/51/12/16/459511216.db2.gz TYUDRGIFVTYIDW-MJGOQNOKSA-N 2 1 344.503 3.052 20 0 EGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@H]3C[C@@H]3C)CC2)c1C ZINC000583408529 459533292 /nfs/dbraw/zinc/53/32/92/459533292.db2.gz BBPABBSDRMLKIC-WMLDXEAASA-N 2 1 331.504 3.259 20 0 EGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@H]3C[C@@H]3C)CC2)c1C ZINC000583408529 459533298 /nfs/dbraw/zinc/53/32/98/459533298.db2.gz BBPABBSDRMLKIC-WMLDXEAASA-N 2 1 331.504 3.259 20 0 EGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@H](C)n1ccnc1 ZINC000583502689 459551508 /nfs/dbraw/zinc/55/15/08/459551508.db2.gz AXFZORXCXFBCLA-PKOBYXMFSA-N 2 1 342.487 3.107 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000592487979 459612450 /nfs/dbraw/zinc/61/24/50/459612450.db2.gz DUTUPDCSSDGCTQ-BBRMVZONSA-N 2 1 330.428 3.169 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000592487979 459612453 /nfs/dbraw/zinc/61/24/53/459612453.db2.gz DUTUPDCSSDGCTQ-BBRMVZONSA-N 2 1 330.428 3.169 20 0 EGADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C)s1 ZINC000592491625 459613124 /nfs/dbraw/zinc/61/31/24/459613124.db2.gz BIWJNFKFJFQHAU-LSDHHAIUSA-N 2 1 336.501 3.055 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000562736631 459637332 /nfs/dbraw/zinc/63/73/32/459637332.db2.gz NVGHXNBRHODJJA-LXDWIVHCSA-N 2 1 346.515 3.069 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000562736631 459637335 /nfs/dbraw/zinc/63/73/35/459637335.db2.gz NVGHXNBRHODJJA-LXDWIVHCSA-N 2 1 346.515 3.069 20 0 EGADMP CCC[N@H+](CCCc1c[nH+]cn1C)CC(=O)Nc1ccccc1C ZINC000584121141 459660579 /nfs/dbraw/zinc/66/05/79/459660579.db2.gz BNHXMZFGDONIRZ-UHFFFAOYSA-N 2 1 328.460 3.012 20 0 EGADMP CCC[N@@H+](CCCc1c[nH+]cn1C)CC(=O)Nc1ccccc1C ZINC000584121141 459660583 /nfs/dbraw/zinc/66/05/83/459660583.db2.gz BNHXMZFGDONIRZ-UHFFFAOYSA-N 2 1 328.460 3.012 20 0 EGADMP COc1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC(F)F ZINC000596639262 459709505 /nfs/dbraw/zinc/70/95/05/459709505.db2.gz ORIDZPUATGSUBO-UONOGXRCSA-N 2 1 326.387 3.013 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC(F)F ZINC000596639262 459709510 /nfs/dbraw/zinc/70/95/10/459709510.db2.gz ORIDZPUATGSUBO-UONOGXRCSA-N 2 1 326.387 3.013 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC(F)F ZINC000596639262 459709514 /nfs/dbraw/zinc/70/95/14/459709514.db2.gz ORIDZPUATGSUBO-UONOGXRCSA-N 2 1 326.387 3.013 20 0 EGADMP C[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000545160761 459804983 /nfs/dbraw/zinc/80/49/83/459804983.db2.gz BAJAGXKTGYGNLD-XPTSAGLGSA-N 2 1 337.678 3.364 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@H]([NH3+])C[C@H]3C)CCC2)c1 ZINC000574050184 459773536 /nfs/dbraw/zinc/77/35/36/459773536.db2.gz CXVVJWVQQFDZRS-AEFFLSMTSA-N 2 1 332.488 3.194 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@@H]([NH3+])C[C@H]3C)CCC2)c1 ZINC000574050186 459773853 /nfs/dbraw/zinc/77/38/53/459773853.db2.gz CXVVJWVQQFDZRS-SJLPKXTDSA-N 2 1 332.488 3.194 20 0 EGADMP C[C@H]1COCCN1C1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000574261928 459798133 /nfs/dbraw/zinc/79/81/33/459798133.db2.gz VVZRECBPPPNIHU-AWEZNQCLSA-N 2 1 340.870 3.207 20 0 EGADMP COC(=O)c1ccc(CNC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1F ZINC000597068253 459829641 /nfs/dbraw/zinc/82/96/41/459829641.db2.gz VVFWAEISJCVUOM-INIZCTEOSA-N 2 1 336.451 3.070 20 0 EGADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1F ZINC000597068253 459829643 /nfs/dbraw/zinc/82/96/43/459829643.db2.gz VVFWAEISJCVUOM-INIZCTEOSA-N 2 1 336.451 3.070 20 0 EGADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1F ZINC000597068253 459829649 /nfs/dbraw/zinc/82/96/49/459829649.db2.gz VVFWAEISJCVUOM-INIZCTEOSA-N 2 1 336.451 3.070 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)o1 ZINC000621729929 460034987 /nfs/dbraw/zinc/03/49/87/460034987.db2.gz IMMPXYNQQSJGRT-UHFFFAOYSA-N 2 1 335.492 3.068 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)c2ccccc21 ZINC000621749008 460046841 /nfs/dbraw/zinc/04/68/41/460046841.db2.gz PYECSJCRXYSJCP-IBGZPJMESA-N 2 1 329.488 3.196 20 0 EGADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000621780015 460061564 /nfs/dbraw/zinc/06/15/64/460061564.db2.gz MKOSUBJJYJIOFA-MEDUHNTESA-N 2 1 342.270 3.135 20 0 EGADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000621780015 460061570 /nfs/dbraw/zinc/06/15/70/460061570.db2.gz MKOSUBJJYJIOFA-MEDUHNTESA-N 2 1 342.270 3.135 20 0 EGADMP COC(=O)CC1CCC([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000599025155 460131507 /nfs/dbraw/zinc/13/15/07/460131507.db2.gz LFEPQBFENZTQGS-LPOKXYRGSA-N 2 1 338.536 3.456 20 0 EGADMP COC(=O)CC1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000599046967 460139372 /nfs/dbraw/zinc/13/93/72/460139372.db2.gz UXAUZJOEWNGETL-SYYJFZTOSA-N 2 1 344.499 3.220 20 0 EGADMP CC[NH+](CC)CCCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000576505077 460154885 /nfs/dbraw/zinc/15/48/85/460154885.db2.gz GEYYPVRUALUIKV-SFTDATJTSA-N 2 1 329.532 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000599100628 460161778 /nfs/dbraw/zinc/16/17/78/460161778.db2.gz LDPRYOKGTRCAGV-QGZVFWFLSA-N 2 1 331.504 3.108 20 0 EGADMP CC(C)c1ccc(-c2noc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)n2)cc1 ZINC000576704355 460198133 /nfs/dbraw/zinc/19/81/33/460198133.db2.gz LYEJEAUXBMWSLB-KSZLIROESA-N 2 1 340.471 3.419 20 0 EGADMP CC(C)c1ccc(-c2noc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)n2)cc1 ZINC000576704355 460198136 /nfs/dbraw/zinc/19/81/36/460198136.db2.gz LYEJEAUXBMWSLB-KSZLIROESA-N 2 1 340.471 3.419 20 0 EGADMP C[C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000622507909 460270061 /nfs/dbraw/zinc/27/00/61/460270061.db2.gz FNLZKJKJICKDIY-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)NC1CCCC1 ZINC000626062573 460358344 /nfs/dbraw/zinc/35/83/44/460358344.db2.gz XZAFFFDEUIZIBM-INIZCTEOSA-N 2 1 331.504 3.017 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)[C@@H](C)C1 ZINC000611438958 460365748 /nfs/dbraw/zinc/36/57/48/460365748.db2.gz AVNRHOFPSRLJCO-MAUKXSAKSA-N 2 1 332.488 3.462 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)[C@@H](C)C1 ZINC000611438958 460365754 /nfs/dbraw/zinc/36/57/54/460365754.db2.gz AVNRHOFPSRLJCO-MAUKXSAKSA-N 2 1 332.488 3.462 20 0 EGADMP CC(C)c1nccn1CC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000635338285 460749717 /nfs/dbraw/zinc/74/97/17/460749717.db2.gz RASJKJCTJZOWFQ-UHFFFAOYSA-N 2 1 342.487 3.163 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000635338285 460749724 /nfs/dbraw/zinc/74/97/24/460749724.db2.gz RASJKJCTJZOWFQ-UHFFFAOYSA-N 2 1 342.487 3.163 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000635338285 460749733 /nfs/dbraw/zinc/74/97/33/460749733.db2.gz RASJKJCTJZOWFQ-UHFFFAOYSA-N 2 1 342.487 3.163 20 0 EGADMP Cc1csc([C@H](C)[NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)n1 ZINC000623935647 460786793 /nfs/dbraw/zinc/78/67/93/460786793.db2.gz LDJKGTYEOJMQPT-ZFWWWQNUSA-N 2 1 331.489 3.178 20 0 EGADMP Cc1csc([C@@H](C)[NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)n1 ZINC000623935646 460786852 /nfs/dbraw/zinc/78/68/52/460786852.db2.gz LDJKGTYEOJMQPT-UKRRQHHQSA-N 2 1 331.489 3.178 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1)c1c[nH+]ccc1N ZINC000629545256 460802387 /nfs/dbraw/zinc/80/23/87/460802387.db2.gz KXRWMBCEUKJOFW-YPMHNXCESA-N 2 1 334.826 3.216 20 0 EGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000629545038 460803042 /nfs/dbraw/zinc/80/30/42/460803042.db2.gz ALSBYQMCZOWRGU-SXLOBPIMSA-N 2 1 331.504 3.374 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCOc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000629656183 460850375 /nfs/dbraw/zinc/85/03/75/460850375.db2.gz MWTIXUCGJXGNGR-NFAWXSAZSA-N 2 1 328.378 3.012 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000624121191 460870886 /nfs/dbraw/zinc/87/08/86/460870886.db2.gz PTMLYGPTDNPEBA-CABCVRRESA-N 2 1 329.488 3.299 20 0 EGADMP C[C@H]([NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCCC1)c1ccccc1 ZINC000629958443 460975069 /nfs/dbraw/zinc/97/50/69/460975069.db2.gz AYJMNXZOBKNFTA-KRWDZBQOSA-N 2 1 343.515 3.251 20 0 EGADMP CCC[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000652351471 461146770 /nfs/dbraw/zinc/14/67/70/461146770.db2.gz YVHYVLVMLBRJER-LYSIVYOWSA-N 2 1 343.515 3.093 20 0 EGADMP CCC[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000652351471 461146783 /nfs/dbraw/zinc/14/67/83/461146783.db2.gz YVHYVLVMLBRJER-LYSIVYOWSA-N 2 1 343.515 3.093 20 0 EGADMP Fc1cccc([C@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)c1 ZINC000662258702 461147182 /nfs/dbraw/zinc/14/71/82/461147182.db2.gz WWRULSHCJMERMV-HXUWFJFHSA-N 2 1 326.415 3.045 20 0 EGADMP Fc1cccc([C@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)c1 ZINC000662258702 461147190 /nfs/dbraw/zinc/14/71/90/461147190.db2.gz WWRULSHCJMERMV-HXUWFJFHSA-N 2 1 326.415 3.045 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H](c2ccsc2)O1 ZINC000662257159 461148425 /nfs/dbraw/zinc/14/84/25/461148425.db2.gz NLXMXGDBGNICFZ-LIRRHRJNSA-N 2 1 328.481 3.356 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H](c2ccsc2)O1 ZINC000662257159 461148429 /nfs/dbraw/zinc/14/84/29/461148429.db2.gz NLXMXGDBGNICFZ-LIRRHRJNSA-N 2 1 328.481 3.356 20 0 EGADMP CCC[N@H+](Cc1cc(-c2ccc(OC)cc2)no1)C1CC[NH2+]CC1 ZINC000662262600 461150470 /nfs/dbraw/zinc/15/04/70/461150470.db2.gz HQSSMPBIZKENDD-UHFFFAOYSA-N 2 1 329.444 3.314 20 0 EGADMP CCC[N@@H+](Cc1cc(-c2ccc(OC)cc2)no1)C1CC[NH2+]CC1 ZINC000662262600 461150478 /nfs/dbraw/zinc/15/04/78/461150478.db2.gz HQSSMPBIZKENDD-UHFFFAOYSA-N 2 1 329.444 3.314 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)[C@@H]1CC[NH3+] ZINC000652354018 461151358 /nfs/dbraw/zinc/15/13/58/461151358.db2.gz KMGLHBMHXGFBOI-NSISKUIASA-N 2 1 343.515 3.020 20 0 EGADMP CC(C)(C)c1csc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)n1 ZINC000652364125 461157195 /nfs/dbraw/zinc/15/71/95/461157195.db2.gz YSWFRHPUUGFTMR-RRFJBIMHSA-N 2 1 337.533 3.301 20 0 EGADMP CC(C)(C)c1csc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)n1 ZINC000652364125 461157201 /nfs/dbraw/zinc/15/72/01/461157201.db2.gz YSWFRHPUUGFTMR-RRFJBIMHSA-N 2 1 337.533 3.301 20 0 EGADMP COc1ccc(-c2cc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)on2)cc1 ZINC000662277451 461163935 /nfs/dbraw/zinc/16/39/35/461163935.db2.gz UXFPXPNPGLZIPB-UZLBHIALSA-N 2 1 341.455 3.314 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)on2)cc1 ZINC000662277451 461163940 /nfs/dbraw/zinc/16/39/40/461163940.db2.gz UXFPXPNPGLZIPB-UZLBHIALSA-N 2 1 341.455 3.314 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])on2)cc1 ZINC000662287109 461167715 /nfs/dbraw/zinc/16/77/15/461167715.db2.gz WBPYYPSNCQCIMV-LIRRHRJNSA-N 2 1 329.444 3.300 20 0 EGADMP CO[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)C1CCOCC1 ZINC000637978474 461170234 /nfs/dbraw/zinc/17/02/34/461170234.db2.gz PIECMSGZIBGSGE-CMKODMSKSA-N 2 1 338.536 3.014 20 0 EGADMP CO[C@H](C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)C1CCOCC1 ZINC000637978474 461170241 /nfs/dbraw/zinc/17/02/41/461170241.db2.gz PIECMSGZIBGSGE-CMKODMSKSA-N 2 1 338.536 3.014 20 0 EGADMP CO[C@H](C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)C1CCOCC1 ZINC000637978474 461170248 /nfs/dbraw/zinc/17/02/48/461170248.db2.gz PIECMSGZIBGSGE-CMKODMSKSA-N 2 1 338.536 3.014 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)[C@@H]1CCC[NH3+] ZINC000662314034 461186439 /nfs/dbraw/zinc/18/64/39/461186439.db2.gz LQOITSDQCIUOLN-HCXYKTFWSA-N 2 1 335.536 3.007 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000662317672 461189564 /nfs/dbraw/zinc/18/95/64/461189564.db2.gz ZFDMMOOMSGIJGF-GGPKGHCWSA-N 2 1 332.488 3.019 20 0 EGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@H](C)c3cnc(C)nc3C)C2)c1 ZINC000638008080 461195043 /nfs/dbraw/zinc/19/50/43/461195043.db2.gz WLPRHWJBKKOQTK-WBVHZDCISA-N 2 1 325.460 3.292 20 0 EGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@H](C)c3cnc(C)nc3C)C2)c1 ZINC000638008080 461195052 /nfs/dbraw/zinc/19/50/52/461195052.db2.gz WLPRHWJBKKOQTK-WBVHZDCISA-N 2 1 325.460 3.292 20 0 EGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(=O)[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000638064674 461222918 /nfs/dbraw/zinc/22/29/18/461222918.db2.gz NWIJAMAOXORKKT-LPHOPBHVSA-N 2 1 325.456 3.272 20 0 EGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(=O)[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000638064674 461222924 /nfs/dbraw/zinc/22/29/24/461222924.db2.gz NWIJAMAOXORKKT-LPHOPBHVSA-N 2 1 325.456 3.272 20 0 EGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(=O)[nH]c2)CC[NH+]1Cc1ccccc1 ZINC000638064674 461222935 /nfs/dbraw/zinc/22/29/35/461222935.db2.gz NWIJAMAOXORKKT-LPHOPBHVSA-N 2 1 325.456 3.272 20 0 EGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(=O)[nH]c2)CC[NH+]1Cc1ccccc1 ZINC000638064674 461222940 /nfs/dbraw/zinc/22/29/40/461222940.db2.gz NWIJAMAOXORKKT-LPHOPBHVSA-N 2 1 325.456 3.272 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)cc2)C1 ZINC000655444020 461254020 /nfs/dbraw/zinc/25/40/20/461254020.db2.gz HCPHNCHZLFDLEV-OZOXKJRCSA-N 2 1 341.499 3.247 20 0 EGADMP COc1cc(F)cc(OC)c1C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000638173384 461285003 /nfs/dbraw/zinc/28/50/03/461285003.db2.gz WRPYGITZRDPIOL-CZUORRHYSA-N 2 1 333.407 3.123 20 0 EGADMP COc1cc(F)cc(OC)c1C[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000638173384 461285007 /nfs/dbraw/zinc/28/50/07/461285007.db2.gz WRPYGITZRDPIOL-CZUORRHYSA-N 2 1 333.407 3.123 20 0 EGADMP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000652713706 461326655 /nfs/dbraw/zinc/32/66/55/461326655.db2.gz VLTISMJXJZPNRP-CEXWTWQISA-N 2 1 345.531 3.228 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662674707 461344162 /nfs/dbraw/zinc/34/41/62/461344162.db2.gz FTRWLJXLSWTBOU-VQIMIIECSA-N 2 1 343.515 3.065 20 0 EGADMP CC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000633965722 461360675 /nfs/dbraw/zinc/36/06/75/461360675.db2.gz RBBMMSIWVRNMKP-LJQANCHMSA-N 2 1 347.547 3.260 20 0 EGADMP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCCn3ccnc32)cc1F ZINC000655699545 461370484 /nfs/dbraw/zinc/37/04/84/461370484.db2.gz CGJNHGANXUDSPR-MRXNPFEDSA-N 2 1 325.391 3.141 20 0 EGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)COCc1ccccc1 ZINC000655701347 461372217 /nfs/dbraw/zinc/37/22/17/461372217.db2.gz SGWODBXJWBSZPE-WIYYLYMNSA-N 2 1 346.515 3.072 20 0 EGADMP CO[C@H](C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[C@H]1CCOC1 ZINC000638363300 461389317 /nfs/dbraw/zinc/38/93/17/461389317.db2.gz LAYDEXDAFPNHIG-DZFGPLHGSA-N 2 1 346.515 3.060 20 0 EGADMP CC[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Oc1cccc(C)c1 ZINC000655729722 461399392 /nfs/dbraw/zinc/39/93/92/461399392.db2.gz CXTZVPDGHQTMBX-TZIWHRDSSA-N 2 1 346.515 3.385 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000638387424 461401646 /nfs/dbraw/zinc/40/16/46/461401646.db2.gz TXKUNSROHARGAS-UHFFFAOYSA-N 2 1 349.232 3.275 20 0 EGADMP C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000668740173 461409977 /nfs/dbraw/zinc/40/99/77/461409977.db2.gz QUDQKFSAOKBVKB-HKBOAZHASA-N 2 1 328.500 3.028 20 0 EGADMP CC(C)COc1ccccc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638404268 461411518 /nfs/dbraw/zinc/41/15/18/461411518.db2.gz XSHUJVYOFBPQJX-UHFFFAOYSA-N 2 1 334.504 3.046 20 0 EGADMP c1ccc(N2CCCCC2)c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655751347 461418410 /nfs/dbraw/zinc/41/84/10/461418410.db2.gz AWJNJGRKKUGKPQ-FQEVSTJZSA-N 2 1 343.515 3.020 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)[C@]12CCCO2 ZINC000638435758 461427998 /nfs/dbraw/zinc/42/79/98/461427998.db2.gz XVLSYLHROZNGAC-NJDAHSKKSA-N 2 1 346.515 3.343 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000638448464 461434316 /nfs/dbraw/zinc/43/43/16/461434316.db2.gz RWXCCGNBLNCUAU-IRXDYDNUSA-N 2 1 337.467 3.053 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000638448464 461434323 /nfs/dbraw/zinc/43/43/23/461434323.db2.gz RWXCCGNBLNCUAU-IRXDYDNUSA-N 2 1 337.467 3.053 20 0 EGADMP C[C@H]1C[C@H](C)C[NH+](CCN2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000659825163 461438353 /nfs/dbraw/zinc/43/83/53/461438353.db2.gz OUYSRNZWGBKJDZ-PMACEKPBSA-N 2 1 329.532 3.172 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC000666088746 461450324 /nfs/dbraw/zinc/45/03/24/461450324.db2.gz QAIVXZIGSVCBQO-SJORKVTESA-N 2 1 336.907 3.024 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000647046847 461489500 /nfs/dbraw/zinc/48/95/00/461489500.db2.gz UGIKBQJKEATTGW-IYARVYRRSA-N 2 1 345.531 3.413 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3n2C)[C@H](C)C1 ZINC000638594248 461498922 /nfs/dbraw/zinc/49/89/22/461498922.db2.gz DUNFZFKTQSFBNN-XLIONFOSSA-N 2 1 343.515 3.405 20 0 EGADMP CC(C)(C)C(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000659946048 461508284 /nfs/dbraw/zinc/50/82/84/461508284.db2.gz ZBDJUAJQEAFTLO-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000659957848 461515308 /nfs/dbraw/zinc/51/53/08/461515308.db2.gz YIYOYQBEUAOMRJ-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP COc1cc(Cl)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000631065284 461517803 /nfs/dbraw/zinc/51/78/03/461517803.db2.gz XDVHVUMBMLXKKW-LBPRGKRZSA-N 2 1 337.851 3.288 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@H]1C ZINC000659983656 461528048 /nfs/dbraw/zinc/52/80/48/461528048.db2.gz RXHRTLHAVVTBIR-KURKYZTESA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@H]1C ZINC000659983656 461528056 /nfs/dbraw/zinc/52/80/56/461528056.db2.gz RXHRTLHAVVTBIR-KURKYZTESA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@H]1C ZINC000659983656 461528061 /nfs/dbraw/zinc/52/80/61/461528061.db2.gz RXHRTLHAVVTBIR-KURKYZTESA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659982452 461528250 /nfs/dbraw/zinc/52/82/50/461528250.db2.gz NHTDXVRWKDMMDD-MAUKXSAKSA-N 2 1 347.528 3.153 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659982452 461528259 /nfs/dbraw/zinc/52/82/59/461528259.db2.gz NHTDXVRWKDMMDD-MAUKXSAKSA-N 2 1 347.528 3.153 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659982452 461528264 /nfs/dbraw/zinc/52/82/64/461528264.db2.gz NHTDXVRWKDMMDD-MAUKXSAKSA-N 2 1 347.528 3.153 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@@H]1C ZINC000659983654 461528298 /nfs/dbraw/zinc/52/82/98/461528298.db2.gz RXHRTLHAVVTBIR-BZSNNMDCSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@@H]1C ZINC000659983654 461528304 /nfs/dbraw/zinc/52/83/04/461528304.db2.gz RXHRTLHAVVTBIR-BZSNNMDCSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@@H]1C ZINC000659983654 461528313 /nfs/dbraw/zinc/52/83/13/461528313.db2.gz RXHRTLHAVVTBIR-BZSNNMDCSA-N 2 1 337.552 3.076 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C2CC[NH+](CC(C)C)CC2)o1 ZINC000647170756 461540321 /nfs/dbraw/zinc/54/03/21/461540321.db2.gz NPBUTNIOIOZRBC-UHFFFAOYSA-N 2 1 330.476 3.199 20 0 EGADMP FC(F)(F)CCN1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663343733 461570912 /nfs/dbraw/zinc/57/09/12/461570912.db2.gz CTTVALLGWROLNT-INIZCTEOSA-N 2 1 347.469 3.115 20 0 EGADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)O[C@@H](C)C2 ZINC000663346648 461577527 /nfs/dbraw/zinc/57/75/27/461577527.db2.gz BTEUQLRNWMYIDP-RDJZCZTQSA-N 2 1 344.499 3.230 20 0 EGADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)O[C@@H](C)C2 ZINC000663346648 461577534 /nfs/dbraw/zinc/57/75/34/461577534.db2.gz BTEUQLRNWMYIDP-RDJZCZTQSA-N 2 1 344.499 3.230 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)[C@]12CCCO2 ZINC000638853135 461618547 /nfs/dbraw/zinc/61/85/47/461618547.db2.gz AEWPDEZMMLGWSK-PWRODBHTSA-N 2 1 346.515 3.343 20 0 EGADMP c1ccc([C@H]2C[C@@H]([NH2+]CCNc3ccccn3)CC[N@@H+]2C2CC2)cc1 ZINC000638870462 461630172 /nfs/dbraw/zinc/63/01/72/461630172.db2.gz QQRNSSUDEAJWJB-AZUAARDMSA-N 2 1 336.483 3.451 20 0 EGADMP c1ccc([C@H]2C[C@@H]([NH2+]CCNc3ccccn3)CC[N@H+]2C2CC2)cc1 ZINC000638870462 461630181 /nfs/dbraw/zinc/63/01/81/461630181.db2.gz QQRNSSUDEAJWJB-AZUAARDMSA-N 2 1 336.483 3.451 20 0 EGADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467966 461657648 /nfs/dbraw/zinc/65/76/48/461657648.db2.gz IZPZBRHBMKZKLJ-MJGOQNOKSA-N 2 1 343.515 3.140 20 0 EGADMP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663472195 461661750 /nfs/dbraw/zinc/66/17/50/461661750.db2.gz ZKJLNARUFNQDGR-PKOBYXMFSA-N 2 1 346.515 3.484 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)[C@H]2CCC[C@H]21 ZINC000663476422 461664357 /nfs/dbraw/zinc/66/43/57/461664357.db2.gz ZKGZZTCGWXUSBD-AJYBTWMASA-N 2 1 336.483 3.322 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)[C@H]2CCC[C@H]21 ZINC000663476422 461664364 /nfs/dbraw/zinc/66/43/64/461664364.db2.gz ZKGZZTCGWXUSBD-AJYBTWMASA-N 2 1 336.483 3.322 20 0 EGADMP c1cn2c(n1)C[C@H]([NH2+][C@H]1CC[N@@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000639072645 461708351 /nfs/dbraw/zinc/70/83/51/461708351.db2.gz YFNQWQPKKVPABA-NSHGMRRFSA-N 2 1 336.483 3.156 20 0 EGADMP c1cn2c(n1)C[C@H]([NH2+][C@H]1CC[N@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000639072645 461708357 /nfs/dbraw/zinc/70/83/57/461708357.db2.gz YFNQWQPKKVPABA-NSHGMRRFSA-N 2 1 336.483 3.156 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000637809468 461727501 /nfs/dbraw/zinc/72/75/01/461727501.db2.gz YZDXDLLDJVESJW-LJQANCHMSA-N 2 1 337.467 3.257 20 0 EGADMP Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643454121 461730910 /nfs/dbraw/zinc/73/09/10/461730910.db2.gz WYGYVAPBRVWFAD-JOKNJTHLSA-N 2 1 327.428 3.198 20 0 EGADMP COc1cccc(Oc2ncccc2C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000643457249 461732111 /nfs/dbraw/zinc/73/21/11/461732111.db2.gz MWGMLABXLAIJNO-KXBFYZLASA-N 2 1 341.455 3.360 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@H]1[NH3+] ZINC000647498318 461736645 /nfs/dbraw/zinc/73/66/45/461736645.db2.gz FDOWXRFETBYTEJ-YLJYHZDGSA-N 2 1 325.456 3.220 20 0 EGADMP COc1cc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000639118752 461738597 /nfs/dbraw/zinc/73/85/97/461738597.db2.gz QNUZPCDYKKQGRO-XLIONFOSSA-N 2 1 339.483 3.133 20 0 EGADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000666664795 461746962 /nfs/dbraw/zinc/74/69/62/461746962.db2.gz MSFJBSUMXJLFRN-NVXWUHKLSA-N 2 1 345.491 3.053 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[NH2+]CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000643522757 461751557 /nfs/dbraw/zinc/75/15/57/461751557.db2.gz CQCDEMDHSRSNAM-ANULTFPQSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000643522757 461751564 /nfs/dbraw/zinc/75/15/64/461751564.db2.gz CQCDEMDHSRSNAM-ANULTFPQSA-N 3 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000643522757 461751569 /nfs/dbraw/zinc/75/15/69/461751569.db2.gz CQCDEMDHSRSNAM-ANULTFPQSA-N 3 1 327.516 3.161 20 0 EGADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000653604792 461755719 /nfs/dbraw/zinc/75/57/19/461755719.db2.gz ZNTWFEOYALCSDE-HOTGVXAUSA-N 2 1 332.410 3.305 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000653604792 461755725 /nfs/dbraw/zinc/75/57/25/461755725.db2.gz ZNTWFEOYALCSDE-HOTGVXAUSA-N 2 1 332.410 3.305 20 0 EGADMP Cc1ncc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1-c1ccccc1 ZINC000647543175 461757056 /nfs/dbraw/zinc/75/70/56/461757056.db2.gz IPSGUDOMTBFIJK-RBUKOAKNSA-N 2 1 338.499 3.392 20 0 EGADMP c1cn(Cc2ccccc2)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647543157 461757118 /nfs/dbraw/zinc/75/71/18/461757118.db2.gz IIPIQZFNMXVJAJ-PMACEKPBSA-N 2 1 338.499 3.143 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546150 461759719 /nfs/dbraw/zinc/75/97/19/461759719.db2.gz JQPAKSMPXGQJNY-HOJAQTOUSA-N 2 1 327.516 3.161 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546150 461759726 /nfs/dbraw/zinc/75/97/26/461759726.db2.gz JQPAKSMPXGQJNY-HOJAQTOUSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CC[NH2+]C4(CCC4)C2)C3)cc1 ZINC000643547833 461760472 /nfs/dbraw/zinc/76/04/72/461760472.db2.gz JOPJVHOEGNHNDG-NCYKPQTJSA-N 2 1 339.527 3.446 20 0 EGADMP Cc1cc(CO)cc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)[nH+]1 ZINC000663721887 461772458 /nfs/dbraw/zinc/77/24/58/461772458.db2.gz ZASRVDDWJMDVDF-KRWDZBQOSA-N 2 1 331.504 3.363 20 0 EGADMP Cc1cc(CO)cc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)[nH+]1 ZINC000663721887 461772465 /nfs/dbraw/zinc/77/24/65/461772465.db2.gz ZASRVDDWJMDVDF-KRWDZBQOSA-N 2 1 331.504 3.363 20 0 EGADMP Cc1ccc2ncc(C[N@H+]3CCC[C@H](N4CCOCC4)CC3)cc2c1 ZINC000660472229 461798369 /nfs/dbraw/zinc/79/83/69/461798369.db2.gz CHQWETXSKRTRHO-FQEVSTJZSA-N 2 1 339.483 3.230 20 0 EGADMP COCC1([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCOCC1 ZINC000639204235 461802833 /nfs/dbraw/zinc/80/28/33/461802833.db2.gz LNZINZPQUOZJRS-ICSRJNTNSA-N 2 1 344.499 3.140 20 0 EGADMP COCC1([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCOCC1 ZINC000639204235 461802837 /nfs/dbraw/zinc/80/28/37/461802837.db2.gz LNZINZPQUOZJRS-ICSRJNTNSA-N 2 1 344.499 3.140 20 0 EGADMP O[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639245460 461823167 /nfs/dbraw/zinc/82/31/67/461823167.db2.gz KVJBPRHIKBWBRE-IZZBFERCSA-N 2 1 328.500 3.495 20 0 EGADMP O[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639245460 461823176 /nfs/dbraw/zinc/82/31/76/461823176.db2.gz KVJBPRHIKBWBRE-IZZBFERCSA-N 2 1 328.500 3.495 20 0 EGADMP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000639244760 461823712 /nfs/dbraw/zinc/82/37/12/461823712.db2.gz OWTGZVAYVRFNQW-RXVVDRJESA-N 2 1 336.483 3.285 20 0 EGADMP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000639244760 461823718 /nfs/dbraw/zinc/82/37/18/461823718.db2.gz OWTGZVAYVRFNQW-RXVVDRJESA-N 2 1 336.483 3.285 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647789673 461835532 /nfs/dbraw/zinc/83/55/32/461835532.db2.gz JCOAENOCAPNRRW-PTSWQDPMSA-N 3 1 341.543 3.121 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647789673 461835537 /nfs/dbraw/zinc/83/55/37/461835537.db2.gz JCOAENOCAPNRRW-PTSWQDPMSA-N 2 1 341.543 3.121 20 0 EGADMP Brc1ccc(OCC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814413 461848233 /nfs/dbraw/zinc/84/82/33/461848233.db2.gz MYEFZAJCPCPTRK-UHFFFAOYSA-N 2 1 339.277 3.044 20 0 EGADMP OC[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)CC1CC1 ZINC000639322234 461860111 /nfs/dbraw/zinc/86/01/11/461860111.db2.gz TZCNXYZLCHQNJI-CUWPLCDZSA-N 2 1 328.500 3.353 20 0 EGADMP OC[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)CC1CC1 ZINC000639322234 461860117 /nfs/dbraw/zinc/86/01/17/461860117.db2.gz TZCNXYZLCHQNJI-CUWPLCDZSA-N 2 1 328.500 3.353 20 0 EGADMP CCn1nc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c2ccccc21 ZINC000656782786 461892246 /nfs/dbraw/zinc/89/22/46/461892246.db2.gz JQGRFWQKJYHAMR-QGZVFWFLSA-N 2 1 326.488 3.268 20 0 EGADMP c1sc(-c2ccccn2)nc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656785574 461895462 /nfs/dbraw/zinc/89/54/62/461895462.db2.gz MHIGCRKFRJBUCB-MRXNPFEDSA-N 2 1 342.512 3.417 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000647938872 461895714 /nfs/dbraw/zinc/89/57/14/461895714.db2.gz WINZAFPRCHJZBM-XLIONFOSSA-N 2 1 337.467 3.498 20 0 EGADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cccc(C4CCCC4)c3)C2)nn1 ZINC000656786607 461898016 /nfs/dbraw/zinc/89/80/16/461898016.db2.gz OGODCZKWEBMDOD-FQEVSTJZSA-N 2 1 339.487 3.232 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000650706223 461899229 /nfs/dbraw/zinc/89/92/29/461899229.db2.gz GQWHWLCBVLDFQY-UAGQMJEPSA-N 2 1 342.405 3.424 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(F)c4cccnc34)C2)C1 ZINC000650707058 461899501 /nfs/dbraw/zinc/89/95/01/461899501.db2.gz XSGRQDISWSHKAB-GMBSWORKSA-N 2 1 343.446 3.092 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)C1 ZINC000650706914 461899758 /nfs/dbraw/zinc/89/97/58/461899758.db2.gz VNKQAWMJSSAPSA-LMMKCTJWSA-N 2 1 341.455 3.060 20 0 EGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650706499 461900232 /nfs/dbraw/zinc/90/02/32/461900232.db2.gz LXNLPYAVHSQWGK-NLWGTHIKSA-N 2 1 332.488 3.192 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000650707536 461900867 /nfs/dbraw/zinc/90/08/67/461900867.db2.gz HZTIMBCDWZDXHG-SFHLNBCPSA-N 2 1 344.499 3.194 20 0 EGADMP C[C@H](CCc1ccccc1)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707876 461901125 /nfs/dbraw/zinc/90/11/25/461901125.db2.gz OSCXGFCCAQEPDY-PMXSJFBMSA-N 2 1 330.516 3.474 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(OCC4CC4)cc3)C2)C1 ZINC000650707534 461902112 /nfs/dbraw/zinc/90/21/12/461902112.db2.gz HZTIMBCDWZDXHG-QKNQBKEWSA-N 2 1 344.499 3.194 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H]1CC[NH3+] ZINC000650711926 461905242 /nfs/dbraw/zinc/90/52/42/461905242.db2.gz JHNHNQXTGZUZFG-HNAYVOBHSA-N 2 1 330.451 3.020 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cnc3ccccc3c2)C1 ZINC000650723459 461914497 /nfs/dbraw/zinc/91/44/97/461914497.db2.gz OKBBZXQUAGOSRQ-HOJAQTOUSA-N 2 1 325.456 3.096 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2F)C1 ZINC000650722960 461915035 /nfs/dbraw/zinc/91/50/35/461915035.db2.gz FIJSLXYASDUFHX-KBMXLJTQSA-N 2 1 326.843 3.340 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc3cnccc3c2)C1 ZINC000650723945 461916207 /nfs/dbraw/zinc/91/62/07/461916207.db2.gz WDDFGUIFBYPSHS-HSALFYBXSA-N 2 1 325.456 3.096 20 0 EGADMP CC(C)Oc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650723761 461916282 /nfs/dbraw/zinc/91/62/82/461916282.db2.gz SXTGZEQEHXQZOI-SXLOBPIMSA-N 2 1 332.488 3.335 20 0 EGADMP CC(C)N(C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647974935 461916593 /nfs/dbraw/zinc/91/65/93/461916593.db2.gz CEYWQMKKRMIIKG-OALUTQOASA-N 2 1 343.515 3.140 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2csc(-c3ccco3)n2)C1 ZINC000650723860 461916615 /nfs/dbraw/zinc/91/66/15/461916615.db2.gz VBYSSYBPRVKMFY-KMFMINBZSA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2csc(-c3ccco3)n2)C1 ZINC000650723860 461916620 /nfs/dbraw/zinc/91/66/20/461916620.db2.gz VBYSSYBPRVKMFY-KMFMINBZSA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C/C=C\c2ccc(F)cc2F)C1 ZINC000650723744 461917054 /nfs/dbraw/zinc/91/70/54/461917054.db2.gz SNSMWAKYZCOYSG-ZBHNHUSPSA-N 2 1 336.426 3.339 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000650762181 461940121 /nfs/dbraw/zinc/94/01/21/461940121.db2.gz WBLOFZBKLXZUNS-UHFFFAOYSA-N 3 1 329.532 3.409 20 0 EGADMP O[C@]1(C(F)(F)F)CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000644420487 461951644 /nfs/dbraw/zinc/95/16/44/461951644.db2.gz FQMSNIYFCAVIHQ-DLBZAZTESA-N 2 1 342.405 3.087 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000648053082 461959330 /nfs/dbraw/zinc/95/93/30/461959330.db2.gz GVZRXEPUXXMESH-IBGZPJMESA-N 2 1 325.456 3.012 20 0 EGADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000644530502 461971888 /nfs/dbraw/zinc/97/18/88/461971888.db2.gz BQIYHRPTFPYTQZ-YADHBBJMSA-N 2 1 338.495 3.092 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000639579085 462000015 /nfs/dbraw/zinc/00/00/15/462000015.db2.gz GRXKOOJLMBBCAM-LZLYRXPVSA-N 2 1 330.472 3.069 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc2n1CCC2 ZINC000657311900 462035788 /nfs/dbraw/zinc/03/57/88/462035788.db2.gz YQXSCCCUCGPEDU-QGZVFWFLSA-N 3 1 338.499 3.494 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1cnc2n1CCC2 ZINC000657311900 462035793 /nfs/dbraw/zinc/03/57/93/462035793.db2.gz YQXSCCCUCGPEDU-QGZVFWFLSA-N 3 1 338.499 3.494 20 0 EGADMP Cc1ccccc1-c1noc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639682335 462054910 /nfs/dbraw/zinc/05/49/10/462054910.db2.gz SVJXDBUBDIAJGA-UHFFFAOYSA-N 2 1 349.438 3.152 20 0 EGADMP c1oc(-c2ccccc2)nc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682300 462055528 /nfs/dbraw/zinc/05/55/28/462055528.db2.gz RVWXUYJLHULIDT-UHFFFAOYSA-N 2 1 334.423 3.449 20 0 EGADMP c1oc(-c2ccccc2)nc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682300 462055533 /nfs/dbraw/zinc/05/55/33/462055533.db2.gz RVWXUYJLHULIDT-UHFFFAOYSA-N 2 1 334.423 3.449 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(COC)cs2)[C@@H](C)C1 ZINC000657364015 462073547 /nfs/dbraw/zinc/07/35/47/462073547.db2.gz RULDOXIOHNCCKS-YJBOKZPZSA-N 2 1 340.533 3.121 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc3ccncc3s2)C[C@H](C)O1 ZINC000657367306 462075826 /nfs/dbraw/zinc/07/58/26/462075826.db2.gz OEANWFZKYZYXSO-GASCZTMLSA-N 2 1 333.501 3.275 20 0 EGADMP c1nnsc1C[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000639725898 462076770 /nfs/dbraw/zinc/07/67/70/462076770.db2.gz MFIYRQQMEMNHRP-UHFFFAOYSA-N 2 1 342.512 3.416 20 0 EGADMP CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000661106320 462105757 /nfs/dbraw/zinc/10/57/57/462105757.db2.gz HULMQGKMOMPGFO-MRXNPFEDSA-N 2 1 349.544 3.294 20 0 EGADMP CC[NH+](CC)CCN(Cc1cccs1)Cc1c[nH+]c2n1CCC2 ZINC000667485533 462106865 /nfs/dbraw/zinc/10/68/65/462106865.db2.gz WFNTYCABLIFBBL-UHFFFAOYSA-N 2 1 332.517 3.235 20 0 EGADMP CCOCCC[N@H+]1CC[C@H](Nc2ncnc3[nH]c(C)c(C)c32)[C@@H](C)C1 ZINC000645174308 462216444 /nfs/dbraw/zinc/21/64/44/462216444.db2.gz STEUSXSOBWIIAO-BBRMVZONSA-N 2 1 345.491 3.124 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H](Nc2ncnc3[nH]c(C)c(C)c32)[C@@H](C)C1 ZINC000645174319 462216596 /nfs/dbraw/zinc/21/65/96/462216596.db2.gz STEUSXSOBWIIAO-XJKSGUPXSA-N 2 1 345.491 3.124 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000661429326 462243976 /nfs/dbraw/zinc/24/39/76/462243976.db2.gz YEIHQMLRRHUHQU-LJQANCHMSA-N 2 1 347.890 3.388 20 0 EGADMP CO[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000648742303 462255794 /nfs/dbraw/zinc/25/57/94/462255794.db2.gz BXPWADSJCMGTBX-FXAWDEMLSA-N 2 1 332.488 3.018 20 0 EGADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC000657824562 462284471 /nfs/dbraw/zinc/28/44/71/462284471.db2.gz URGBLVZWVMIWIU-OAHLLOKOSA-N 2 1 325.294 3.454 20 0 EGADMP C[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000651678655 462300457 /nfs/dbraw/zinc/30/04/57/462300457.db2.gz YEBKHRLYCUDPMW-PXNSSMCTSA-N 2 1 343.515 3.133 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc2ccncc2s1 ZINC000657992219 462340367 /nfs/dbraw/zinc/34/03/67/462340367.db2.gz DIQNGIDBNZMDCY-HUUCEWRRSA-N 2 1 333.501 3.448 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc2ccncc2s1 ZINC000657992219 462340378 /nfs/dbraw/zinc/34/03/78/462340378.db2.gz DIQNGIDBNZMDCY-HUUCEWRRSA-N 2 1 333.501 3.448 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661641128 462342957 /nfs/dbraw/zinc/34/29/57/462342957.db2.gz SGZNWYSVPPDORA-OAHLLOKOSA-N 2 1 342.270 3.325 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661641128 462342962 /nfs/dbraw/zinc/34/29/62/462342962.db2.gz SGZNWYSVPPDORA-OAHLLOKOSA-N 2 1 342.270 3.325 20 0 EGADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(CC[C@@H]2CCCC[NH+]2C)C1 ZINC000661645426 462346892 /nfs/dbraw/zinc/34/68/92/462346892.db2.gz RBKGYKMYAUMFOH-LEWJYISDSA-N 2 1 329.532 3.110 20 0 EGADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000661645426 462346895 /nfs/dbraw/zinc/34/68/95/462346895.db2.gz RBKGYKMYAUMFOH-LEWJYISDSA-N 2 1 329.532 3.110 20 0 EGADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000661645426 462346899 /nfs/dbraw/zinc/34/68/99/462346899.db2.gz RBKGYKMYAUMFOH-LEWJYISDSA-N 2 1 329.532 3.110 20 0 EGADMP CCCN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000648996647 462364135 /nfs/dbraw/zinc/36/41/35/462364135.db2.gz XECLMZMNDIFJHQ-HXUWFJFHSA-N 2 1 343.515 3.229 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C1(CO)CC1 ZINC000658154237 462408832 /nfs/dbraw/zinc/40/88/32/462408832.db2.gz KHEHFAYZUNIVRG-IJXRJRJASA-N 2 1 328.500 3.180 20 0 EGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3c(C4CC4)cnn3C)CC2)C1 ZINC000658213801 462431050 /nfs/dbraw/zinc/43/10/50/462431050.db2.gz UKHGODUUQLHSBT-CRAIPNDOSA-N 2 1 330.520 3.430 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c(C2CC2)cnn1C ZINC000658214713 462431737 /nfs/dbraw/zinc/43/17/37/462431737.db2.gz ZDPCAUPARCNRRD-OXJNMPFZSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c(C2CC2)cnn1C ZINC000658214713 462431742 /nfs/dbraw/zinc/43/17/42/462431742.db2.gz ZDPCAUPARCNRRD-OXJNMPFZSA-N 2 1 338.499 3.298 20 0 EGADMP CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000649211575 462441071 /nfs/dbraw/zinc/44/10/71/462441071.db2.gz VNNAPABVJZWOBW-HNBVOPMISA-N 2 1 345.531 3.208 20 0 EGADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652173681 462461251 /nfs/dbraw/zinc/46/12/51/462461251.db2.gz UNRBUDVAFGRJRZ-MRXNPFEDSA-N 2 1 334.460 3.015 20 0 EGADMP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294817 462461401 /nfs/dbraw/zinc/46/14/01/462461401.db2.gz JUTMOLJDHUDHTN-OXQOHEQNSA-N 2 1 339.483 3.388 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OC)c2C)[C@@H](C)C1 ZINC000658352313 462487183 /nfs/dbraw/zinc/48/71/83/462487183.db2.gz HWWIWAKZHZLUIX-QFBILLFUSA-N 2 1 334.504 3.230 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1)C(C)C ZINC000649370708 462490115 /nfs/dbraw/zinc/49/01/15/462490115.db2.gz VPJFECQSHZPOMZ-LJQANCHMSA-N 2 1 343.515 3.321 20 0 EGADMP C[N@H+](CCCC1CC[NH2+]CC1)Cc1nccn1Cc1ccccc1 ZINC000649413522 462503469 /nfs/dbraw/zinc/50/34/69/462503469.db2.gz CQWGIKQCCNICGL-UHFFFAOYSA-N 2 1 326.488 3.143 20 0 EGADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1nccn1Cc1ccccc1 ZINC000649413522 462503474 /nfs/dbraw/zinc/50/34/74/462503474.db2.gz CQWGIKQCCNICGL-UHFFFAOYSA-N 2 1 326.488 3.143 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCCc2ccccc2)CC1 ZINC000186902241 534228026 /nfs/dbraw/zinc/22/80/26/534228026.db2.gz RORVGLYDVSOVAW-OYRHEFFESA-N 2 1 343.559 3.500 20 0 EGADMP CCCc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000187357336 528636318 /nfs/dbraw/zinc/63/63/18/528636318.db2.gz RKJRNPICNUGDOT-JOCHJYFZSA-N 2 1 338.495 3.496 20 0 EGADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2)CC1 ZINC000246989936 535281176 /nfs/dbraw/zinc/28/11/76/535281176.db2.gz KQRIAAGCBGEEMF-GHTZIAJQSA-N 3 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCN(C)[C@@H](C)C3)c2)CC1 ZINC000246989936 535281181 /nfs/dbraw/zinc/28/11/81/535281181.db2.gz KQRIAAGCBGEEMF-GHTZIAJQSA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2cccc(CN[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2)CC1 ZINC000246989936 535281191 /nfs/dbraw/zinc/28/11/91/535281191.db2.gz KQRIAAGCBGEEMF-GHTZIAJQSA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2cccc(CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2)CC1 ZINC000246989936 535281196 /nfs/dbraw/zinc/28/11/96/535281196.db2.gz KQRIAAGCBGEEMF-GHTZIAJQSA-N 2 1 329.532 3.491 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1)C1CC1 ZINC000338010570 535782910 /nfs/dbraw/zinc/78/29/10/535782910.db2.gz VKEQDOMZIJASBG-UHFFFAOYSA-N 2 1 341.499 3.028 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000246918039 536886596 /nfs/dbraw/zinc/88/65/96/536886596.db2.gz GGBUYIMLULWDJE-OWCLPIDISA-N 2 1 338.467 3.374 20 0 EGADMP FC(F)CN1CCC([NH2+]C[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000159229321 546935684 /nfs/dbraw/zinc/93/56/84/546935684.db2.gz HYNIANPJKUQATD-GOSISDBHSA-N 2 1 343.506 3.350 20 0 EGADMP FC(F)CN1CCC([NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000159229321 546935689 /nfs/dbraw/zinc/93/56/89/546935689.db2.gz HYNIANPJKUQATD-GOSISDBHSA-N 2 1 343.506 3.350 20 0 EGADMP CCOc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OCC ZINC000165974970 546985042 /nfs/dbraw/zinc/98/50/42/546985042.db2.gz GYYYRIYDPXLUKR-ZWKOTPCHSA-N 2 1 332.488 3.243 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)c1noc(Cc2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000165461798 546985612 /nfs/dbraw/zinc/98/56/12/546985612.db2.gz LASMCJCAAAAXLI-CABCVRRESA-N 2 1 328.460 3.041 20 0 EGADMP COc1cccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1F ZINC000192679112 547203418 /nfs/dbraw/zinc/20/34/18/547203418.db2.gz ZQPSTXOFRQGIRP-GOSISDBHSA-N 2 1 342.458 3.489 20 0 EGADMP COc1cccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1F ZINC000192679112 547203421 /nfs/dbraw/zinc/20/34/21/547203421.db2.gz ZQPSTXOFRQGIRP-GOSISDBHSA-N 2 1 342.458 3.489 20 0 EGADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000247150680 547288048 /nfs/dbraw/zinc/28/80/48/547288048.db2.gz XKDOZPCVGDVOSD-CTNGQTDRSA-N 2 1 338.499 3.330 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000249065828 547308000 /nfs/dbraw/zinc/30/80/00/547308000.db2.gz KDWLKRCCGPXWFH-MRXNPFEDSA-N 2 1 330.451 3.322 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000249065828 547308003 /nfs/dbraw/zinc/30/80/03/547308003.db2.gz KDWLKRCCGPXWFH-MRXNPFEDSA-N 2 1 330.451 3.322 20 0 EGADMP CCNC(=O)C1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCC1 ZINC000277083406 547357962 /nfs/dbraw/zinc/35/79/62/547357962.db2.gz FWOWMRZZISALLL-OAHLLOKOSA-N 2 1 340.471 3.138 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)CC2 ZINC000280007468 547369222 /nfs/dbraw/zinc/36/92/22/547369222.db2.gz GLYGDTZBQYBBLY-GUYCJALGSA-N 2 1 329.444 3.122 20 0 EGADMP CCc1cc(N[C@H](CC[N@H+](C)CCOC)c2ccccc2)nc(C)[nH+]1 ZINC000359724811 547754056 /nfs/dbraw/zinc/75/40/56/547754056.db2.gz MZSOXILAEROZDH-LJQANCHMSA-N 2 1 342.487 3.469 20 0 EGADMP CCc1cc(N[C@H](CC[N@@H+](C)CCOC)c2ccccc2)nc(C)[nH+]1 ZINC000359724811 547754060 /nfs/dbraw/zinc/75/40/60/547754060.db2.gz MZSOXILAEROZDH-LJQANCHMSA-N 2 1 342.487 3.469 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398111923 547837650 /nfs/dbraw/zinc/83/76/50/547837650.db2.gz DJCSHUJWNMECBO-YZGWKJHDSA-N 2 1 345.531 3.024 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1F ZINC000675882936 548996714 /nfs/dbraw/zinc/99/67/14/548996714.db2.gz VOEJGXJWSOJYTR-PBHICJAKSA-N 2 1 336.451 3.128 20 0 EGADMP C[N@@H+](CCOC(C)(C)C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678284879 549459908 /nfs/dbraw/zinc/45/99/08/549459908.db2.gz ZJGUBZISXFJRKZ-UHFFFAOYSA-N 2 1 334.504 3.408 20 0 EGADMP CC(C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000678802841 549564654 /nfs/dbraw/zinc/56/46/54/549564654.db2.gz CWCRZSPHBPERRY-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CCC1(CC)[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H](C)[C@H]1OC ZINC000678927410 549597555 /nfs/dbraw/zinc/59/75/55/549597555.db2.gz IXJMVMJGJAGTMY-GDAAHCPNSA-N 2 1 338.536 3.059 20 0 EGADMP C[C@@H]1C[C@@H](Nc2ccc(CC[NH+]3CCSCC3)cc2)CC[N@H+]1C ZINC000679143685 549644181 /nfs/dbraw/zinc/64/41/81/549644181.db2.gz YPAPBNVTEXOUGC-APWZRJJASA-N 2 1 333.545 3.173 20 0 EGADMP C[C@@H]([NH2+]CC1(O)CCC(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679326567 549688583 /nfs/dbraw/zinc/68/85/83/549688583.db2.gz YEDXQAFVJVMBPN-OHWJTAOLSA-N 2 1 330.516 3.428 20 0 EGADMP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H]1CCCC[C@@H]1O ZINC000679360187 549696006 /nfs/dbraw/zinc/69/60/06/549696006.db2.gz HYZWOLOWDSLTII-FPOVZHCZSA-N 2 1 346.515 3.144 20 0 EGADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)Cc1cccnc1 ZINC000679630879 549743223 /nfs/dbraw/zinc/74/32/23/549743223.db2.gz DBKWZCDPASEWBH-UHFFFAOYSA-N 2 1 325.456 3.188 20 0 EGADMP COC[C@@H]1CCCC[NH+](C/C=C\C[N@@H+]2CCCC[C@@H](COC)C2)C1 ZINC000681038570 549945697 /nfs/dbraw/zinc/94/56/97/549945697.db2.gz UUWMDEHGOFWGFV-ILWWCXPUSA-N 2 1 338.536 3.040 20 0 EGADMP CC(C)c1ccc(CC[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000681110530 549955978 /nfs/dbraw/zinc/95/59/78/549955978.db2.gz HDFWSEPZXPRALQ-NRFANRHFSA-N 2 1 329.532 3.064 20 0 EGADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000682094701 550073254 /nfs/dbraw/zinc/07/32/54/550073254.db2.gz RXGQFGBEVHEWEZ-HZPDHXFCSA-N 2 1 332.410 3.046 20 0 EGADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000682094701 550073255 /nfs/dbraw/zinc/07/32/55/550073255.db2.gz RXGQFGBEVHEWEZ-HZPDHXFCSA-N 2 1 332.410 3.046 20 0 EGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683929384 550274848 /nfs/dbraw/zinc/27/48/48/550274848.db2.gz KXARYBAYDIASLR-PZJWPPBQSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683929384 550274851 /nfs/dbraw/zinc/27/48/51/550274851.db2.gz KXARYBAYDIASLR-PZJWPPBQSA-N 2 1 349.478 3.141 20 0 EGADMP C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684147934 550296581 /nfs/dbraw/zinc/29/65/81/550296581.db2.gz AQYHMZHJEBTFJZ-UYAOXDASSA-N 2 1 346.515 3.287 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000685438146 550416346 /nfs/dbraw/zinc/41/63/46/550416346.db2.gz QTNMDELSYGZFKC-LJQANCHMSA-N 2 1 328.460 3.077 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000685438146 550416348 /nfs/dbraw/zinc/41/63/48/550416348.db2.gz QTNMDELSYGZFKC-LJQANCHMSA-N 2 1 328.460 3.077 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000685452305 550417843 /nfs/dbraw/zinc/41/78/43/550417843.db2.gz FPKRYFYORAHBCF-FQEVSTJZSA-N 2 1 325.456 3.359 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC000733778752 575392392 /nfs/dbraw/zinc/39/23/92/575392392.db2.gz GLBSOFQXHLPFEH-WOJBJXKFSA-N 2 1 349.563 3.366 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC000733778750 575392448 /nfs/dbraw/zinc/39/24/48/575392448.db2.gz GLBSOFQXHLPFEH-UXHICEINSA-N 2 1 349.563 3.366 20 0 EGADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000738523048 576334280 /nfs/dbraw/zinc/33/42/80/576334280.db2.gz OXMCYKFIDGYERK-HXUWFJFHSA-N 2 1 339.483 3.010 20 0 EGADMP C[C@H]([NH+](C)CCS(=O)(=O)CC[N@H+](C)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000742588356 576790815 /nfs/dbraw/zinc/79/08/15/576790815.db2.gz IZNHRGQYYCPDQA-HOTGVXAUSA-N 2 1 348.597 3.134 20 0 EGADMP c1c(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000687959446 1298121717 /nfs/dbraw/zinc/12/17/17/1298121717.db2.gz LTXBXKACMUOCJI-QGZVFWFLSA-N 2 1 342.508 3.433 20 0 EGADMP CC(C)N(CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000698101395 1298167179 /nfs/dbraw/zinc/16/71/79/1298167179.db2.gz XUMPNYZPONHSJC-IRXDYDNUSA-N 2 1 339.524 3.238 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000769920976 1303194076 /nfs/dbraw/zinc/19/40/76/1303194076.db2.gz SHBSNUMUGPIWML-IAGOWNOFSA-N 2 1 339.524 3.144 20 0 EGADMP CC[NH+](CC)C1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000052070244 1291691762 /nfs/dbraw/zinc/69/17/62/1291691762.db2.gz VUJUGARJMRSLPM-UHFFFAOYSA-N 2 1 337.895 3.475 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccsc2)CC1 ZINC000061070224 1291959231 /nfs/dbraw/zinc/95/92/31/1291959231.db2.gz BLGIYQXSYXXLPE-UHFFFAOYSA-N 2 1 329.513 3.175 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccccc2C)CC1 ZINC000061070325 1291959312 /nfs/dbraw/zinc/95/93/12/1291959312.db2.gz LLIUTANQPVAVAX-UHFFFAOYSA-N 2 1 337.511 3.422 20 0 EGADMP CC(C)c1nc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000062252759 1291983990 /nfs/dbraw/zinc/98/39/90/1291983990.db2.gz NXGTYRSPWXMQIZ-GASCZTMLSA-N 2 1 325.522 3.246 20 0 EGADMP COc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000063524674 1292014082 /nfs/dbraw/zinc/01/40/82/1292014082.db2.gz ZZTMRRWVQOEUHF-KRWDZBQOSA-N 2 1 340.467 3.206 20 0 EGADMP COc1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000063524674 1292014093 /nfs/dbraw/zinc/01/40/93/1292014093.db2.gz ZZTMRRWVQOEUHF-KRWDZBQOSA-N 2 1 340.467 3.206 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000066349963 1292113672 /nfs/dbraw/zinc/11/36/72/1292113672.db2.gz UANNRRACSJTATM-UHFFFAOYSA-N 2 1 327.472 3.338 20 0 EGADMP COc1ccccc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000067976710 1292180195 /nfs/dbraw/zinc/18/01/95/1292180195.db2.gz DVZUIWICCLLJPM-QGZVFWFLSA-N 2 1 340.467 3.206 20 0 EGADMP COc1ccccc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000067976710 1292180201 /nfs/dbraw/zinc/18/02/01/1292180201.db2.gz DVZUIWICCLLJPM-QGZVFWFLSA-N 2 1 340.467 3.206 20 0 EGADMP CC(C)Oc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000076762194 1292441557 /nfs/dbraw/zinc/44/15/57/1292441557.db2.gz KVTKNXDILAEHIM-SFHVURJKSA-N 2 1 332.488 3.064 20 0 EGADMP C[NH+](C)C1(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)CCCCC1 ZINC000089135109 1292757164 /nfs/dbraw/zinc/75/71/64/1292757164.db2.gz IBJFTMYKAFCLAO-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)C1 ZINC000096628399 1292950911 /nfs/dbraw/zinc/95/09/11/1292950911.db2.gz KIKWQDYWQANBQG-HNNXBMFYSA-N 2 1 337.895 3.462 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)C1 ZINC000096628399 1292950917 /nfs/dbraw/zinc/95/09/17/1292950917.db2.gz KIKWQDYWQANBQG-HNNXBMFYSA-N 2 1 337.895 3.462 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000110870864 1293100024 /nfs/dbraw/zinc/10/00/24/1293100024.db2.gz YLSIAKQAKDBYGC-UHFFFAOYSA-N 2 1 342.487 3.128 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000110870864 1293100027 /nfs/dbraw/zinc/10/00/27/1293100027.db2.gz YLSIAKQAKDBYGC-UHFFFAOYSA-N 2 1 342.487 3.128 20 0 EGADMP COC1([C@@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000834789566 1293148719 /nfs/dbraw/zinc/14/87/19/1293148719.db2.gz DBKDNZUWSOAUPJ-QUCCMNQESA-N 2 1 346.515 3.072 20 0 EGADMP Cc1n[nH]cc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000120997866 1293351297 /nfs/dbraw/zinc/35/12/97/1293351297.db2.gz ULLXYIVOVFVXLS-IYBDPMFKSA-N 2 1 326.488 3.486 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000123833756 1293457306 /nfs/dbraw/zinc/45/73/06/1293457306.db2.gz JBXSUTHBDSFGRW-FQEVSTJZSA-N 2 1 332.488 3.208 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(N3CCCC3)nc2)c1 ZINC000132098618 1293708985 /nfs/dbraw/zinc/70/89/85/1293708985.db2.gz PMRNHJBMOSUXQZ-UHFFFAOYSA-N 2 1 338.499 3.423 20 0 EGADMP C[C@@H](Cn1cccn1)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000137872936 1293832282 /nfs/dbraw/zinc/83/22/82/1293832282.db2.gz DERYYPUPIJRWFG-KRWDZBQOSA-N 2 1 341.503 3.162 20 0 EGADMP C[C@H]1C[C@H](N(C)C(=O)CCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000155692764 1294110702 /nfs/dbraw/zinc/11/07/02/1294110702.db2.gz UNZBCSFQXRAVLC-PKOBYXMFSA-N 2 1 331.504 3.017 20 0 EGADMP C[S@@](=O)c1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000155708964 1294110752 /nfs/dbraw/zinc/11/07/52/1294110752.db2.gz IGPRVOPCORFHLQ-QHCPKHFHSA-N 2 1 334.529 3.168 20 0 EGADMP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000166569466 1294364243 /nfs/dbraw/zinc/36/42/43/1294364243.db2.gz OVXOODPSCPENFS-WOSRLPQWSA-N 2 1 329.271 3.243 20 0 EGADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000166569466 1294364250 /nfs/dbraw/zinc/36/42/50/1294364250.db2.gz OVXOODPSCPENFS-WOSRLPQWSA-N 2 1 329.271 3.243 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CC[C@@H]([NH3+])CC3)cc2)C1 ZINC000870866091 1296121330 /nfs/dbraw/zinc/12/13/30/1296121330.db2.gz MZPYCHCEMLCLBZ-FFZOFVMBSA-N 2 1 343.515 3.052 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)c(Br)c2)C1 ZINC000236865797 1296206741 /nfs/dbraw/zinc/20/67/41/1296206741.db2.gz RSFMDZWYIGLXIA-CQSZACIVSA-N 2 1 341.293 3.279 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247660607 1296398513 /nfs/dbraw/zinc/39/85/13/1296398513.db2.gz XWPMVRUIVVUAFG-SJORKVTESA-N 2 1 339.524 3.098 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261542735 1296594964 /nfs/dbraw/zinc/59/49/64/1296594964.db2.gz CKMMASMPBZGEJF-XRXFAXGQSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261542735 1296594972 /nfs/dbraw/zinc/59/49/72/1296594972.db2.gz CKMMASMPBZGEJF-XRXFAXGQSA-N 2 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261542735 1296594980 /nfs/dbraw/zinc/59/49/80/1296594980.db2.gz CKMMASMPBZGEJF-XRXFAXGQSA-N 2 1 327.516 3.019 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cc(O)ccc1F ZINC000872030012 1296679653 /nfs/dbraw/zinc/67/96/53/1296679653.db2.gz XPIQLIZGSUNNCT-CQSZACIVSA-N 2 1 332.419 3.323 20 0 EGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000872145233 1296768103 /nfs/dbraw/zinc/76/81/03/1296768103.db2.gz QAPIPQCXFNSDNT-LSDHHAIUSA-N 2 1 332.366 3.017 20 0 EGADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CCCC1 ZINC000305462858 1297014711 /nfs/dbraw/zinc/01/47/11/1297014711.db2.gz NLYWOMNKFHIKTK-JKSUJKDBSA-N 2 1 339.524 3.286 20 0 EGADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000309944923 1297079767 /nfs/dbraw/zinc/07/97/67/1297079767.db2.gz CLSNQFQRYPTKFE-HZPDHXFCSA-N 2 1 339.524 3.286 20 0 EGADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000309944923 1297079781 /nfs/dbraw/zinc/07/97/81/1297079781.db2.gz CLSNQFQRYPTKFE-HZPDHXFCSA-N 2 1 339.524 3.286 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000310136331 1297091513 /nfs/dbraw/zinc/09/15/13/1297091513.db2.gz ZMAYTSFHQPTEQZ-IXDOHACOSA-N 2 1 341.540 3.483 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000310136331 1297091530 /nfs/dbraw/zinc/09/15/30/1297091530.db2.gz ZMAYTSFHQPTEQZ-IXDOHACOSA-N 2 1 341.540 3.483 20 0 EGADMP CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000321847182 1297182455 /nfs/dbraw/zinc/18/24/55/1297182455.db2.gz BIYKDTKSRAATLT-QAETUUGQSA-N 2 1 337.508 3.039 20 0 EGADMP CCOc1cccc(F)c1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000873013687 1297222963 /nfs/dbraw/zinc/22/29/63/1297222963.db2.gz FWURMMZMYSXHDW-UHFFFAOYSA-N 2 1 346.446 3.455 20 0 EGADMP O[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873206208 1297354245 /nfs/dbraw/zinc/35/42/45/1297354245.db2.gz XGIKVKGSNFVYBP-ICSRJNTNSA-N 2 1 342.508 3.482 20 0 EGADMP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Br)c1 ZINC000873273981 1297405067 /nfs/dbraw/zinc/40/50/67/1297405067.db2.gz QCRKYOMIIAMVBL-VFSICIBPSA-N 2 1 339.277 3.009 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000522851136 1297986830 /nfs/dbraw/zinc/98/68/30/1297986830.db2.gz LCPNGKZNNXHHEZ-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000522851136 1297986840 /nfs/dbraw/zinc/98/68/40/1297986840.db2.gz LCPNGKZNNXHHEZ-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000522851136 1297986855 /nfs/dbraw/zinc/98/68/55/1297986855.db2.gz LCPNGKZNNXHHEZ-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1[nH+]ccn1Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000585133725 1298036632 /nfs/dbraw/zinc/03/66/32/1298036632.db2.gz SCVCBKDEPNUKOT-UHFFFAOYSA-N 2 1 337.427 3.276 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc2ccccc2n1 ZINC000708574437 1298242665 /nfs/dbraw/zinc/24/26/65/1298242665.db2.gz NVIVVKIOKSHVRC-PKOBYXMFSA-N 2 1 346.478 3.488 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc2ccccc2n1 ZINC000708574437 1298242674 /nfs/dbraw/zinc/24/26/74/1298242674.db2.gz NVIVVKIOKSHVRC-PKOBYXMFSA-N 2 1 346.478 3.488 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccc(Cl)nn1 ZINC000876935925 1299075289 /nfs/dbraw/zinc/07/52/89/1299075289.db2.gz DKMGVLZLRYUVGF-UHFFFAOYSA-N 2 1 348.878 3.140 20 0 EGADMP C[N@H+]1CCC[C@H](CNCc2ccc(Cl)nn2)[C@@H]1c1cccs1 ZINC000877055055 1299134093 /nfs/dbraw/zinc/13/40/93/1299134093.db2.gz OBENPRTWXYEZMP-MLGOLLRUSA-N 2 1 336.892 3.364 20 0 EGADMP CN1CCC[C@H](C[NH2+]Cc2ccc(Cl)nn2)[C@@H]1c1cccs1 ZINC000877055055 1299134097 /nfs/dbraw/zinc/13/40/97/1299134097.db2.gz OBENPRTWXYEZMP-MLGOLLRUSA-N 2 1 336.892 3.364 20 0 EGADMP CCC(CC)(CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000877069848 1299143910 /nfs/dbraw/zinc/14/39/10/1299143910.db2.gz HMAFRKRHYNRHKM-HOTGVXAUSA-N 2 1 341.540 3.390 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(OCc4ccncc4)cc3)CC[C@H]21 ZINC000877742924 1299519540 /nfs/dbraw/zinc/51/95/40/1299519540.db2.gz HMUGENPDFGVJLS-PZJWPPBQSA-N 2 1 337.467 3.187 20 0 EGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(OCc4ccncc4)cc3)CC[C@H]21 ZINC000877742924 1299519545 /nfs/dbraw/zinc/51/95/45/1299519545.db2.gz HMUGENPDFGVJLS-PZJWPPBQSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(OCc4ccncc4)cc3)CC[C@H]21 ZINC000877742924 1299519551 /nfs/dbraw/zinc/51/95/51/1299519551.db2.gz HMUGENPDFGVJLS-PZJWPPBQSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(OCc4ccncc4)cc3)CC[C@H]21 ZINC000877742924 1299519559 /nfs/dbraw/zinc/51/95/59/1299519559.db2.gz HMUGENPDFGVJLS-PZJWPPBQSA-N 2 1 337.467 3.187 20 0 EGADMP C=C/C=C\CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000878607801 1300104875 /nfs/dbraw/zinc/10/48/75/1300104875.db2.gz ZATIIOLBNZGACK-YOXWTLATSA-N 2 1 325.500 3.011 20 0 EGADMP C[C@H]1COCC[NH+](CCCCCCCC[N@@H+]2CCOC[C@H](C)C2)C1 ZINC000754382219 1300133676 /nfs/dbraw/zinc/13/36/76/1300133676.db2.gz VPRKZULAWGBTET-WOJBJXKFSA-N 2 1 340.552 3.264 20 0 EGADMP C[NH+]1CCC2(CC1)CC[NH+](CC(=O)Nc1ccccc1Cl)CC2 ZINC000879249563 1300452614 /nfs/dbraw/zinc/45/26/14/1300452614.db2.gz URDUUJZRIXMPKZ-UHFFFAOYSA-N 2 1 335.879 3.086 20 0 EGADMP COC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(Br)c1 ZINC000879662738 1300660241 /nfs/dbraw/zinc/66/02/41/1300660241.db2.gz JZINJSIGXQIWGO-HOTGVXAUSA-N 2 1 341.293 3.211 20 0 EGADMP COC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(Br)c1 ZINC000879662738 1300660246 /nfs/dbraw/zinc/66/02/46/1300660246.db2.gz JZINJSIGXQIWGO-HOTGVXAUSA-N 2 1 341.293 3.211 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000758204539 1300812135 /nfs/dbraw/zinc/81/21/35/1300812135.db2.gz VQYDOHFIJNMPRA-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000759046028 1301004139 /nfs/dbraw/zinc/00/41/39/1301004139.db2.gz DNKKQQOIXNYWTR-IFIJOSMWSA-N 2 1 328.859 3.317 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000759046028 1301004149 /nfs/dbraw/zinc/00/41/49/1301004149.db2.gz DNKKQQOIXNYWTR-IFIJOSMWSA-N 2 1 328.859 3.317 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000759046028 1301004161 /nfs/dbraw/zinc/00/41/61/1301004161.db2.gz DNKKQQOIXNYWTR-IFIJOSMWSA-N 2 1 328.859 3.317 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000759046028 1301004173 /nfs/dbraw/zinc/00/41/73/1301004173.db2.gz DNKKQQOIXNYWTR-IFIJOSMWSA-N 2 1 328.859 3.317 20 0 EGADMP COc1cc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC000762652192 1301722845 /nfs/dbraw/zinc/72/28/45/1301722845.db2.gz WQRXZSXTYLIYFQ-ROUUACIJSA-N 2 1 334.504 3.464 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000765322431 1302245570 /nfs/dbraw/zinc/24/55/70/1302245570.db2.gz FRQZYUGEZWZMSR-CRAIPNDOSA-N 2 1 326.488 3.370 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000765804740 1302333014 /nfs/dbraw/zinc/33/30/14/1302333014.db2.gz USPFZLZGLPXUCU-SFHVURJKSA-N 2 1 346.515 3.251 20 0 EGADMP Cc1nc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000883427614 1302441599 /nfs/dbraw/zinc/44/15/99/1302441599.db2.gz WZRCFYZOLQMQOB-RTBURBONSA-N 2 1 327.472 3.464 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000766974651 1302555691 /nfs/dbraw/zinc/55/56/91/1302555691.db2.gz OBAOVPRNKGGGML-OAHLLOKOSA-N 2 1 337.335 3.251 20 0 EGADMP C[NH2+][C@@H](CC(C)C)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000884329061 1302816490 /nfs/dbraw/zinc/81/64/90/1302816490.db2.gz FPOSNJGMCMDOFH-RLLQIKCJSA-N 2 1 345.531 3.037 20 0 EGADMP CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768178920 1302845414 /nfs/dbraw/zinc/84/54/14/1302845414.db2.gz IUCMZRPAFSMQJU-UHFFFAOYSA-N 2 1 339.483 3.381 20 0 EGADMP CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768178920 1302845427 /nfs/dbraw/zinc/84/54/27/1302845427.db2.gz IUCMZRPAFSMQJU-UHFFFAOYSA-N 2 1 339.483 3.381 20 0 EGADMP COc1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc(OC)c1 ZINC000768537099 1302928099 /nfs/dbraw/zinc/92/80/99/1302928099.db2.gz LQKXEFQENXDGNX-UHFFFAOYSA-N 2 1 328.456 3.397 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C3CC(C(F)F)C3)cc2)C[C@H](C)O1 ZINC000768676603 1302958595 /nfs/dbraw/zinc/95/85/95/1302958595.db2.gz PRJHUHMGTMESSQ-MWABVPJASA-N 2 1 338.442 3.429 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000769682848 1303157116 /nfs/dbraw/zinc/15/71/16/1303157116.db2.gz BGLNFLZBCSJLDD-QBPKDAKJSA-N 2 1 341.540 3.388 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000769682848 1303157119 /nfs/dbraw/zinc/15/71/19/1303157119.db2.gz BGLNFLZBCSJLDD-QBPKDAKJSA-N 2 1 341.540 3.388 20 0 EGADMP C[C@H]([NH2+]CCO[C@@H]1CCCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000769785524 1303173794 /nfs/dbraw/zinc/17/37/94/1303173794.db2.gz CSKITRLPCACBGH-DFQSSKMNSA-N 2 1 332.488 3.030 20 0 EGADMP CCCCCCOc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000770394229 1303261712 /nfs/dbraw/zinc/26/17/12/1303261712.db2.gz GIYNDBYYZSYKRJ-HDICACEKSA-N 2 1 332.488 3.306 20 0 EGADMP CCCCCCOc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000770394229 1303261720 /nfs/dbraw/zinc/26/17/20/1303261720.db2.gz GIYNDBYYZSYKRJ-HDICACEKSA-N 2 1 332.488 3.306 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000885920756 1303276481 /nfs/dbraw/zinc/27/64/81/1303276481.db2.gz FYEUJWFYJUTMSK-SFHVURJKSA-N 2 1 338.499 3.371 20 0 EGADMP Clc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)nc1 ZINC000885967356 1303302696 /nfs/dbraw/zinc/30/26/96/1303302696.db2.gz MRWBZFJSDWSHAT-KRWDZBQOSA-N 2 1 329.875 3.389 20 0 EGADMP Clc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nc1 ZINC000885967356 1303302702 /nfs/dbraw/zinc/30/27/02/1303302702.db2.gz MRWBZFJSDWSHAT-KRWDZBQOSA-N 2 1 329.875 3.389 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CC4(CCC4)CO3)CC2)cc1 ZINC000886287570 1303421605 /nfs/dbraw/zinc/42/16/05/1303421605.db2.gz UVGLQSIBRKONMZ-HXUWFJFHSA-N 2 1 346.490 3.381 20 0 EGADMP C[NH+](CC1CCOCC1)[C@H]1CC[C@H]([N@@H+](C)CC2CCOCC2)CC1 ZINC000886389264 1303454446 /nfs/dbraw/zinc/45/44/46/1303454446.db2.gz BHWGHBCBCURBHQ-MXVIHJGJSA-N 2 1 338.536 3.014 20 0 EGADMP Cc1[nH]c(C2CC[NH+](C[C@@H]3COc4ccccc4O3)CC2)[nH+]c1C ZINC000886661163 1303542840 /nfs/dbraw/zinc/54/28/40/1303542840.db2.gz OBNZRSCRROOQMW-MRXNPFEDSA-N 2 1 327.428 3.046 20 0 EGADMP C[C@H](Cc1cccc(F)c1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000772976997 1303600821 /nfs/dbraw/zinc/60/08/21/1303600821.db2.gz AALQUAUJHYMIMH-QGZVFWFLSA-N 2 1 334.479 3.381 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000886871962 1303621091 /nfs/dbraw/zinc/62/10/91/1303621091.db2.gz GHBUCFJIZWVHBJ-FQEVSTJZSA-N 2 1 326.440 3.067 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000886871962 1303621094 /nfs/dbraw/zinc/62/10/94/1303621094.db2.gz GHBUCFJIZWVHBJ-FQEVSTJZSA-N 2 1 326.440 3.067 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)c2ccccc21 ZINC000773112824 1303627362 /nfs/dbraw/zinc/62/73/62/1303627362.db2.gz ALMDATMYKPEIIE-SFHVURJKSA-N 2 1 329.488 3.337 20 0 EGADMP CC[N@H+](CCC1CCN(c2nc(N(C)C)cc[nH+]2)CC1)CC(C)C ZINC000773253800 1303650322 /nfs/dbraw/zinc/65/03/22/1303650322.db2.gz ZPBUHHHXFUXZIH-UHFFFAOYSA-N 2 1 333.524 3.127 20 0 EGADMP CC[N@@H+](CCC1CCN(c2nc(N(C)C)cc[nH+]2)CC1)CC(C)C ZINC000773253800 1303650328 /nfs/dbraw/zinc/65/03/28/1303650328.db2.gz ZPBUHHHXFUXZIH-UHFFFAOYSA-N 2 1 333.524 3.127 20 0 EGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc2ccccc2[nH]1 ZINC000775627531 1303996723 /nfs/dbraw/zinc/99/67/23/1303996723.db2.gz NEYDNBLVFGABOC-INIZCTEOSA-N 2 1 328.504 3.092 20 0 EGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CCCCC1 ZINC000775623669 1303997189 /nfs/dbraw/zinc/99/71/89/1303997189.db2.gz TZCCGLAARRHAQK-HZPDHXFCSA-N 2 1 339.524 3.286 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C[C@](C)(C3CCCC3)CC2=O)CC1 ZINC000780442429 1304693786 /nfs/dbraw/zinc/69/37/86/1304693786.db2.gz JLRSYNOKMXQCAH-OAQYLSRUSA-N 2 1 349.563 3.425 20 0 EGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000781921369 1304891179 /nfs/dbraw/zinc/89/11/79/1304891179.db2.gz CGJNBPPDKNFINK-RBBKRZOGSA-N 2 1 336.479 3.339 20 0 EGADMP Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000891770424 1305160157 /nfs/dbraw/zinc/16/01/57/1305160157.db2.gz JTOQSIIJRNFUMZ-LJQANCHMSA-N 2 1 326.488 3.442 20 0 EGADMP Oc1cc(Cl)cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000892131405 1305260364 /nfs/dbraw/zinc/26/03/64/1305260364.db2.gz YTBDJVUSNXSROA-UHFFFAOYSA-N 2 1 338.879 3.122 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(NC(=O)C2CC2)cc1 ZINC000892506171 1305412610 /nfs/dbraw/zinc/41/26/10/1305412610.db2.gz WIBBTXMQSKXXMF-NZKYFMOASA-N 2 1 327.472 3.311 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCS(=O)CC2)cc1 ZINC000892570552 1305445796 /nfs/dbraw/zinc/44/57/96/1305445796.db2.gz LXWDFGSVECWSHT-WYTFLKLQSA-N 2 1 334.529 3.062 20 0 EGADMP FC(F)(F)Oc1cccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000892606784 1305467523 /nfs/dbraw/zinc/46/75/23/1305467523.db2.gz CYOILSGFNOIBHQ-HUUCEWRRSA-N 2 1 328.378 3.344 20 0 EGADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000892735827 1305528891 /nfs/dbraw/zinc/52/88/91/1305528891.db2.gz QDZWQXQLALNUHH-UHFFFAOYSA-N 2 1 334.847 3.276 20 0 EGADMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1)C(C)C ZINC000786836969 1305640013 /nfs/dbraw/zinc/64/00/13/1305640013.db2.gz QYNCWHBOZNRBCY-KRWDZBQOSA-N 2 1 346.519 3.376 20 0 EGADMP CCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(C)n1 ZINC000893021652 1305662562 /nfs/dbraw/zinc/66/25/62/1305662562.db2.gz VVJGPKWRMKCANE-YJBOKZPZSA-N 2 1 332.517 3.446 20 0 EGADMP CCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C)n1 ZINC000893021652 1305662572 /nfs/dbraw/zinc/66/25/72/1305662572.db2.gz VVJGPKWRMKCANE-YJBOKZPZSA-N 2 1 332.517 3.446 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000893488111 1305920777 /nfs/dbraw/zinc/92/07/77/1305920777.db2.gz RKBCVJDAGITBPX-CTNGQTDRSA-N 2 1 336.479 3.073 20 0 EGADMP C[NH+]1CCC(C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC000788484712 1305953460 /nfs/dbraw/zinc/95/34/60/1305953460.db2.gz GCOGJKDCSXGUKV-KRWDZBQOSA-N 2 1 340.414 3.003 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC000788484712 1305953469 /nfs/dbraw/zinc/95/34/69/1305953469.db2.gz GCOGJKDCSXGUKV-KRWDZBQOSA-N 2 1 340.414 3.003 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788507536 1305959394 /nfs/dbraw/zinc/95/93/94/1305959394.db2.gz PLMSFRUKRWQUCB-SJORKVTESA-N 2 1 341.540 3.342 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(CC)cc2)[C@H](C)C1 ZINC000789385204 1306152493 /nfs/dbraw/zinc/15/24/93/1306152493.db2.gz XSSHSKAADXGGOI-QMMLZNLJSA-N 2 1 348.531 3.009 20 0 EGADMP c1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c2c(c1)CCCN2 ZINC000894093732 1306213822 /nfs/dbraw/zinc/21/38/22/1306213822.db2.gz HNLAUKYGFDTAHI-YLJYHZDGSA-N 2 1 325.500 3.493 20 0 EGADMP c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2c(c1)CCCN2 ZINC000894093732 1306213830 /nfs/dbraw/zinc/21/38/30/1306213830.db2.gz HNLAUKYGFDTAHI-YLJYHZDGSA-N 2 1 325.500 3.493 20 0 EGADMP Cc1ccc(C2=NO[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1C ZINC000895496707 1309371297 /nfs/dbraw/zinc/37/12/97/1309371297.db2.gz AHJJKROOTBMPOT-QRVBRYPASA-N 2 1 327.472 3.013 20 0 EGADMP Cc1ccc(C2=NO[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1C ZINC000895496707 1309371308 /nfs/dbraw/zinc/37/13/08/1309371308.db2.gz AHJJKROOTBMPOT-QRVBRYPASA-N 2 1 327.472 3.013 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn(C)c1C1CC1 ZINC000895693869 1309469895 /nfs/dbraw/zinc/46/98/95/1309469895.db2.gz NXNKDKUUYAHJFN-JXFKEZNVSA-N 2 1 338.499 3.155 20 0 EGADMP Cc1ncc2n1C[C@H](c1nc(-c3cccc(-n4ccnc4)c3)no1)CC2 ZINC000896087894 1309693481 /nfs/dbraw/zinc/69/34/81/1309693481.db2.gz OSXHFDIUQLSWCU-OAHLLOKOSA-N 2 1 346.394 3.157 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000896407604 1309845721 /nfs/dbraw/zinc/84/57/21/1309845721.db2.gz SOYDWESXAUFSGX-LPHOPBHVSA-N 2 1 343.515 3.201 20 0 EGADMP CC(C)[C@H](C[NH2+]CC1CCC2(CC1)OCCO2)[NH+]1CCC(C)CC1 ZINC000795900898 1309856297 /nfs/dbraw/zinc/85/62/97/1309856297.db2.gz YWYYJSHKPSZGFT-IBGZPJMESA-N 2 1 338.536 3.266 20 0 EGADMP Clc1nc2cc(Cl)ccn2c1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000796267799 1309948192 /nfs/dbraw/zinc/94/81/92/1309948192.db2.gz YZRCPFZQODHLBK-QWHCGFSZSA-N 2 1 339.270 3.358 20 0 EGADMP CC(C)[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H](O)c1ccccc1 ZINC000796363898 1309978193 /nfs/dbraw/zinc/97/81/93/1309978193.db2.gz REYAKULIJVGJBC-MSOLQXFVSA-N 2 1 333.501 3.053 20 0 EGADMP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178856 1310499805 /nfs/dbraw/zinc/49/98/05/1310499805.db2.gz NNPGWKCMFGWKKO-SFHVURJKSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177005 1310500263 /nfs/dbraw/zinc/50/02/63/1310500263.db2.gz GWHOQOAFIIDVKM-OAHLLOKOSA-N 2 1 349.906 3.475 20 0 EGADMP COc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000799717569 1310605126 /nfs/dbraw/zinc/60/51/26/1310605126.db2.gz QIOUBURQDXFLDA-XLIONFOSSA-N 2 1 344.499 3.306 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC[N@H+]1C ZINC001019290001 1317147626 /nfs/dbraw/zinc/14/76/26/1317147626.db2.gz MQAUTUORXQQMGI-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001019468008 1317262753 /nfs/dbraw/zinc/26/27/53/1317262753.db2.gz BGUOYPUNJVQFHT-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP C[NH+](C)[C@@](C)(C(=O)N1CC[NH+](CCC(C)(C)C)CC1)c1ccccc1 ZINC000957288820 1317263058 /nfs/dbraw/zinc/26/30/58/1317263058.db2.gz BOGJENTXCJMTKE-OAQYLSRUSA-N 2 1 345.531 3.044 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC000957544886 1317440102 /nfs/dbraw/zinc/44/01/02/1317440102.db2.gz ANUTUKYOKGMUGX-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)CC2)CC1 ZINC000957560207 1317457939 /nfs/dbraw/zinc/45/79/39/1317457939.db2.gz UPWORGNQTKZTIH-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)CC1 ZINC000957617350 1317499077 /nfs/dbraw/zinc/49/90/77/1317499077.db2.gz IDDSBPRLQNBIPJ-LJQANCHMSA-N 2 1 349.563 3.362 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001020151229 1317565120 /nfs/dbraw/zinc/56/51/20/1317565120.db2.gz POYWGWSVACEQOD-UAFMIMERSA-N 2 1 347.547 3.068 20 0 EGADMP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC1([NH3+])CC1 ZINC000902413308 1317575945 /nfs/dbraw/zinc/57/59/45/1317575945.db2.gz JWOKFXBJFTUYLN-ZANVPECISA-N 2 1 327.291 3.313 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001020214530 1317596089 /nfs/dbraw/zinc/59/60/89/1317596089.db2.gz VYJMSYVKZPBKSI-SOAMZJECSA-N 2 1 343.515 3.167 20 0 EGADMP CC[N@@H+](CC1CC1)CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000957759927 1317625462 /nfs/dbraw/zinc/62/54/62/1317625462.db2.gz IFOPFKZIXNUORO-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@]1(C)CC(=O)N(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000808140551 1317630040 /nfs/dbraw/zinc/63/00/40/1317630040.db2.gz LZFMZUUSRQANER-HXUWFJFHSA-N 2 1 335.536 3.181 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1)C(C)C ZINC000957778227 1317643584 /nfs/dbraw/zinc/64/35/84/1317643584.db2.gz ZHGDBEGJWFGXHH-IBGZPJMESA-N 2 1 337.552 3.076 20 0 EGADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C[N@H+]1Cc1ccccc1 ZINC000903110841 1317654598 /nfs/dbraw/zinc/65/45/98/1317654598.db2.gz RNVROIBCIVZCDZ-QUQREYOPSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[NH+]1Cc1ccccc1 ZINC000903110841 1317654604 /nfs/dbraw/zinc/65/46/04/1317654604.db2.gz RNVROIBCIVZCDZ-QUQREYOPSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[NH+]1Cc1ccccc1 ZINC000903110841 1317654610 /nfs/dbraw/zinc/65/46/10/1317654610.db2.gz RNVROIBCIVZCDZ-QUQREYOPSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CN1Cc1ccccc1 ZINC000903110841 1317654615 /nfs/dbraw/zinc/65/46/15/1317654615.db2.gz RNVROIBCIVZCDZ-QUQREYOPSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CN1Cc1ccccc1 ZINC000903110841 1317654619 /nfs/dbraw/zinc/65/46/19/1317654619.db2.gz RNVROIBCIVZCDZ-QUQREYOPSA-N 2 1 339.527 3.397 20 0 EGADMP COC(=O)CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1 ZINC000903119999 1317656745 /nfs/dbraw/zinc/65/67/45/1317656745.db2.gz MUJNNAQFURYOEC-ZNBHLAFESA-N 2 1 342.483 3.428 20 0 EGADMP COC(=O)CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903119999 1317656749 /nfs/dbraw/zinc/65/67/49/1317656749.db2.gz MUJNNAQFURYOEC-ZNBHLAFESA-N 2 1 342.483 3.428 20 0 EGADMP C[C@@H](NCc1cc(N(C)C)cc[nH+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000903198273 1317672664 /nfs/dbraw/zinc/67/26/64/1317672664.db2.gz IEVKZJWZYHNFIN-MJGOQNOKSA-N 2 1 338.499 3.148 20 0 EGADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2cn(C)cn2)ccc1OC ZINC000903352217 1317690372 /nfs/dbraw/zinc/69/03/72/1317690372.db2.gz ULOKFNGCWLINGM-OAHLLOKOSA-N 2 1 330.476 3.121 20 0 EGADMP O[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000903404826 1317697003 /nfs/dbraw/zinc/69/70/03/1317697003.db2.gz ADPGABBSYGSIGF-XRXFAXGQSA-N 2 1 328.500 3.180 20 0 EGADMP C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903728382 1317726357 /nfs/dbraw/zinc/72/63/57/1317726357.db2.gz ABVOLZLBEXJGFB-WOJBJXKFSA-N 2 1 328.500 3.199 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[C@@H]1c1ccccc1 ZINC000903735425 1317728511 /nfs/dbraw/zinc/72/85/11/1317728511.db2.gz ZUOPKCMZYAZODC-HOJAQTOUSA-N 2 1 328.500 3.271 20 0 EGADMP CC1CC(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001020502287 1317731520 /nfs/dbraw/zinc/73/15/20/1317731520.db2.gz GQKJJGGTBSNNDX-RKSMEEQHSA-N 2 1 347.547 3.066 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2noc3c2COCC3)CC1 ZINC000929843508 1328718341 /nfs/dbraw/zinc/71/83/41/1328718341.db2.gz XYATUIYOLLBLJI-INIZCTEOSA-N 2 1 347.503 3.224 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2noc3c2COCC3)CC1 ZINC000929843508 1328718346 /nfs/dbraw/zinc/71/83/46/1328718346.db2.gz XYATUIYOLLBLJI-INIZCTEOSA-N 2 1 347.503 3.224 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2noc3c2COCC3)CC1 ZINC000929843508 1328718351 /nfs/dbraw/zinc/71/83/51/1328718351.db2.gz XYATUIYOLLBLJI-INIZCTEOSA-N 2 1 347.503 3.224 20 0 EGADMP CO[C@H](C)c1nc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cs1 ZINC000903792516 1317735432 /nfs/dbraw/zinc/73/54/32/1317735432.db2.gz CNYQPCJVWUYRHO-OAHLLOKOSA-N 2 1 345.512 3.343 20 0 EGADMP CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903923196 1317750734 /nfs/dbraw/zinc/75/07/34/1317750734.db2.gz NQGIRFYRSDLWEK-LBPRGKRZSA-N 2 1 335.236 3.342 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)c1 ZINC001020591552 1317791969 /nfs/dbraw/zinc/79/19/69/1317791969.db2.gz QVUVDMUJYCVFGF-BHIYHBOVSA-N 2 1 343.515 3.025 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)c1 ZINC001020587464 1317792185 /nfs/dbraw/zinc/79/21/85/1317792185.db2.gz HBPJCOGPPBVPPL-VJANTYMQSA-N 2 1 343.515 3.086 20 0 EGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904326401 1317831121 /nfs/dbraw/zinc/83/11/21/1317831121.db2.gz ITGODPMGKAJRHA-SFTDATJTSA-N 2 1 329.532 3.220 20 0 EGADMP CC[C@@H](C)C[C@@H]([NH3+])c1nc(-c2cccc(Cn3ccnc3)c2)no1 ZINC000904558748 1317861789 /nfs/dbraw/zinc/86/17/89/1317861789.db2.gz VMSIEXHDUWBXRG-CZUORRHYSA-N 2 1 325.416 3.417 20 0 EGADMP [NH3+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000904661180 1317878102 /nfs/dbraw/zinc/87/81/02/1317878102.db2.gz QJUONBUJYRQOCK-GOSISDBHSA-N 2 1 344.503 3.312 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccccc2C[NH3+])C1 ZINC000904661387 1317878843 /nfs/dbraw/zinc/87/88/43/1317878843.db2.gz SYEJFKYBDDDKLR-SJORKVTESA-N 2 1 344.503 3.264 20 0 EGADMP CCOCOc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000809754921 1317892375 /nfs/dbraw/zinc/89/23/75/1317892375.db2.gz DCEQUBULVZSBSC-LJQANCHMSA-N 2 1 332.488 3.223 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(N2CCCCC2=O)cc1 ZINC000810129034 1317958798 /nfs/dbraw/zinc/95/87/98/1317958798.db2.gz RNPZWPUBJBXGKV-FUHWJXTLSA-N 2 1 329.488 3.338 20 0 EGADMP CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000810245085 1317985314 /nfs/dbraw/zinc/98/53/14/1317985314.db2.gz QFCFXJXXQSPRLC-SOUVJXGZSA-N 2 1 334.451 3.062 20 0 EGADMP CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000810245085 1317985319 /nfs/dbraw/zinc/98/53/19/1317985319.db2.gz QFCFXJXXQSPRLC-SOUVJXGZSA-N 2 1 334.451 3.062 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2c(C)cc(C)nc2C)c1 ZINC000906378619 1318089987 /nfs/dbraw/zinc/08/99/87/1318089987.db2.gz QJTATCSIGZBMKW-UHFFFAOYSA-N 2 1 325.456 3.389 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C(=O)C(C)(C)[C@H]2C2CC2)CC1 ZINC000811748188 1318251923 /nfs/dbraw/zinc/25/19/23/1318251923.db2.gz UKHUUKMFLBEZRI-GOSISDBHSA-N 2 1 335.536 3.035 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000812719507 1318443881 /nfs/dbraw/zinc/44/38/81/1318443881.db2.gz UHQAOFCRABRJBD-ULQDDVLXSA-N 2 1 341.540 3.342 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000812719507 1318443887 /nfs/dbraw/zinc/44/38/87/1318443887.db2.gz UHQAOFCRABRJBD-ULQDDVLXSA-N 2 1 341.540 3.342 20 0 EGADMP Oc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC000812718462 1318443992 /nfs/dbraw/zinc/44/39/92/1318443992.db2.gz LIORZTAEQAQXKM-ICSRJNTNSA-N 2 1 330.472 3.003 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021624869 1318475927 /nfs/dbraw/zinc/47/59/27/1318475927.db2.gz ZSKMHQSSTHIWIU-IEBWSBKVSA-N 2 1 340.471 3.061 20 0 EGADMP C[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCC(C)(C)C)CC[C@H]32)CC1 ZINC001021666853 1318529301 /nfs/dbraw/zinc/52/93/01/1318529301.db2.gz XLOKJXKOZWOTBX-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000813325782 1318533934 /nfs/dbraw/zinc/53/39/34/1318533934.db2.gz KQPNVFGLZMLDIZ-FXAWDEMLSA-N 2 1 326.488 3.224 20 0 EGADMP CC(C)[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021691375 1318567277 /nfs/dbraw/zinc/56/72/77/1318567277.db2.gz OWGRJICDVZMDNS-VQTJNVASSA-N 2 1 343.515 3.083 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000858491922 1328778273 /nfs/dbraw/zinc/77/82/73/1328778273.db2.gz QNGOWWHSKRJWFC-DLBZAZTESA-N 2 1 345.487 3.416 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC000960629037 1318755269 /nfs/dbraw/zinc/75/52/69/1318755269.db2.gz PSHJYVHPLOCANV-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCC1 ZINC000960629037 1318755274 /nfs/dbraw/zinc/75/52/74/1318755274.db2.gz PSHJYVHPLOCANV-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCC1 ZINC000960629037 1318755279 /nfs/dbraw/zinc/75/52/79/1318755279.db2.gz PSHJYVHPLOCANV-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC2CCCCC2)CC[N@H+]1C ZINC000960643789 1318762745 /nfs/dbraw/zinc/76/27/45/1318762745.db2.gz MQFHRZDZTPHURX-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCCCC2)CC[NH+]1C ZINC000960643789 1318762751 /nfs/dbraw/zinc/76/27/51/1318762751.db2.gz MQFHRZDZTPHURX-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCCCC2)CC[NH+]1C ZINC000960643789 1318762758 /nfs/dbraw/zinc/76/27/58/1318762758.db2.gz MQFHRZDZTPHURX-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001022069885 1318788767 /nfs/dbraw/zinc/78/87/67/1318788767.db2.gz OJDVPHQNXCARKU-HSALFYBXSA-N 2 1 349.563 3.457 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC000960678929 1318789343 /nfs/dbraw/zinc/78/93/43/1318789343.db2.gz BSHCVYXZTWGKOH-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC000960678929 1318789346 /nfs/dbraw/zinc/78/93/46/1318789346.db2.gz BSHCVYXZTWGKOH-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC000960678929 1318789355 /nfs/dbraw/zinc/78/93/55/1318789355.db2.gz BSHCVYXZTWGKOH-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001022081420 1318792294 /nfs/dbraw/zinc/79/22/94/1318792294.db2.gz FEVAHRMZGXGKKO-QRVBRYPASA-N 2 1 347.547 3.068 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001022200883 1318839277 /nfs/dbraw/zinc/83/92/77/1318839277.db2.gz ASWBZCYVQNPBDF-WSTZPKSXSA-N 2 1 345.531 3.131 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001022279333 1318872299 /nfs/dbraw/zinc/87/22/99/1318872299.db2.gz WHQPUYDHQBUYCI-ZGXWSNOMSA-N 2 1 345.531 3.131 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC000960785019 1318885756 /nfs/dbraw/zinc/88/57/56/1318885756.db2.gz CZKVNVTZNGCKTN-IBGZPJMESA-N 2 1 347.547 3.284 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cnn(C)c2Cl)C[N@H+]1Cc1ccccc1 ZINC000815131448 1318906139 /nfs/dbraw/zinc/90/61/39/1318906139.db2.gz DINQPRSPJGABDI-WBVHZDCISA-N 2 1 346.906 3.464 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CC2=CCCCC2)CC[N@H+]1C ZINC000960824882 1318951667 /nfs/dbraw/zinc/95/16/67/1318951667.db2.gz UXMRLZLCRJUPFL-IHPCNDPISA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[N@H+](C)CC2=CCCCC2)CC[NH+]1C ZINC000960824882 1318951674 /nfs/dbraw/zinc/95/16/74/1318951674.db2.gz UXMRLZLCRJUPFL-IHPCNDPISA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[N@@H+](C)CC2=CCCCC2)CC[NH+]1C ZINC000960824882 1318951681 /nfs/dbraw/zinc/95/16/81/1318951681.db2.gz UXMRLZLCRJUPFL-IHPCNDPISA-N 2 1 347.547 3.140 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2C[NH+](C)CC2CCCCCC2)C1 ZINC000960859988 1319004044 /nfs/dbraw/zinc/00/40/44/1319004044.db2.gz CXRGMWUZHLIWNG-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H]2C[N@H+](C)CC2CCCCCC2)C1 ZINC000960859988 1319004052 /nfs/dbraw/zinc/00/40/52/1319004052.db2.gz CXRGMWUZHLIWNG-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCCCCC2)C1 ZINC000960859988 1319004060 /nfs/dbraw/zinc/00/40/60/1319004060.db2.gz CXRGMWUZHLIWNG-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001022807485 1319119279 /nfs/dbraw/zinc/11/92/79/1319119279.db2.gz HVUJCFGIVKKFKF-ZCNNSNEGSA-N 2 1 347.547 3.377 20 0 EGADMP CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC000961170688 1319288383 /nfs/dbraw/zinc/28/83/83/1319288383.db2.gz QVBWEORPMJEXHO-CVEARBPZSA-N 2 1 349.544 3.004 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001023274428 1319408251 /nfs/dbraw/zinc/40/82/51/1319408251.db2.gz ZJHLCPBPCMVHSR-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001023274428 1319408255 /nfs/dbraw/zinc/40/82/55/1319408255.db2.gz ZJHLCPBPCMVHSR-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001023274428 1319408263 /nfs/dbraw/zinc/40/82/63/1319408263.db2.gz ZJHLCPBPCMVHSR-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP COc1ccc([C@H](C)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1C[NH+]1CCCCC1 ZINC000817972659 1319482748 /nfs/dbraw/zinc/48/27/48/1319482748.db2.gz ZHKSFHCRLYPGRL-ABSDTBQOSA-N 2 1 345.531 3.472 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961364328 1319519859 /nfs/dbraw/zinc/51/98/59/1319519859.db2.gz CHVVIPHSGKKQRK-VQTJNVASSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000961364328 1319519866 /nfs/dbraw/zinc/51/98/66/1319519866.db2.gz CHVVIPHSGKKQRK-VQTJNVASSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000961364328 1319519875 /nfs/dbraw/zinc/51/98/75/1319519875.db2.gz CHVVIPHSGKKQRK-VQTJNVASSA-N 2 1 349.563 3.218 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001023445941 1319545264 /nfs/dbraw/zinc/54/52/64/1319545264.db2.gz FUCLDFSOPGWFIB-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001023445941 1319545269 /nfs/dbraw/zinc/54/52/69/1319545269.db2.gz FUCLDFSOPGWFIB-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001023445941 1319545276 /nfs/dbraw/zinc/54/52/76/1319545276.db2.gz FUCLDFSOPGWFIB-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001023445755 1319546457 /nfs/dbraw/zinc/54/64/57/1319546457.db2.gz AOPSJTLYFHMOQV-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001023445755 1319546464 /nfs/dbraw/zinc/54/64/64/1319546464.db2.gz AOPSJTLYFHMOQV-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001023445755 1319546472 /nfs/dbraw/zinc/54/64/72/1319546472.db2.gz AOPSJTLYFHMOQV-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000961392969 1319548734 /nfs/dbraw/zinc/54/87/34/1319548734.db2.gz NQORVJFQXMFLKC-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000961395038 1319550920 /nfs/dbraw/zinc/55/09/20/1319550920.db2.gz VNQSZRFFELJOQC-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP O=C(NC[C@@H]1CCC[N@@H+](CCCC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001023466391 1319564780 /nfs/dbraw/zinc/56/47/80/1319564780.db2.gz BYXDBIDPGFUDPE-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC000961418570 1319575272 /nfs/dbraw/zinc/57/52/72/1319575272.db2.gz CFEJXEKULMJIIZ-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC000961418570 1319575278 /nfs/dbraw/zinc/57/52/78/1319575278.db2.gz CFEJXEKULMJIIZ-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC000961418570 1319575285 /nfs/dbraw/zinc/57/52/85/1319575285.db2.gz CFEJXEKULMJIIZ-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)c2ccc(F)cc2F)C1 ZINC000818959911 1319590288 /nfs/dbraw/zinc/59/02/88/1319590288.db2.gz VSCVIXJSIRTBLW-KSSFIOAISA-N 2 1 326.431 3.100 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632333 1319753201 /nfs/dbraw/zinc/75/32/01/1319753201.db2.gz JYCFDPULPVCSCR-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632333 1319753206 /nfs/dbraw/zinc/75/32/06/1319753206.db2.gz JYCFDPULPVCSCR-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632333 1319753209 /nfs/dbraw/zinc/75/32/09/1319753209.db2.gz JYCFDPULPVCSCR-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CCc1onc(C)c1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000930439728 1328854771 /nfs/dbraw/zinc/85/47/71/1328854771.db2.gz JRVVOILVFSTWPQ-UHFFFAOYSA-N 2 1 336.439 3.416 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023762116 1319907726 /nfs/dbraw/zinc/90/77/26/1319907726.db2.gz RNIHLXGNGNGMPB-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001023762116 1319907735 /nfs/dbraw/zinc/90/77/35/1319907735.db2.gz RNIHLXGNGNGMPB-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001023762116 1319907743 /nfs/dbraw/zinc/90/77/43/1319907743.db2.gz RNIHLXGNGNGMPB-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000839092704 1320868433 /nfs/dbraw/zinc/86/84/33/1320868433.db2.gz VCPSTMYQAQWLLS-IAGOWNOFSA-N 2 1 341.540 3.201 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000839092704 1320868436 /nfs/dbraw/zinc/86/84/36/1320868436.db2.gz VCPSTMYQAQWLLS-IAGOWNOFSA-N 2 1 341.540 3.201 20 0 EGADMP Clc1cccc([C@@H]2CC[C@H]([NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)c1 ZINC000840723364 1321135372 /nfs/dbraw/zinc/13/53/72/1321135372.db2.gz WYYBXOBBVYBWFW-BVBHFADKSA-N 2 1 334.891 3.429 20 0 EGADMP Clc1cccc([C@@H]2CC[C@H]([NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)c1 ZINC000840723364 1321135378 /nfs/dbraw/zinc/13/53/78/1321135378.db2.gz WYYBXOBBVYBWFW-BVBHFADKSA-N 2 1 334.891 3.429 20 0 EGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCc3ccc(CC[NH3+])cc3)CC2)C1 ZINC000841032442 1321204261 /nfs/dbraw/zinc/20/42/61/1321204261.db2.gz SZRQTDBJQJLJRY-DYESRHJHSA-N 2 1 329.532 3.321 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)c2ccc(F)c(F)c2)cc1 ZINC000859214577 1328948073 /nfs/dbraw/zinc/94/80/73/1328948073.db2.gz PLKDFAMLOIOBOA-IBGZPJMESA-N 2 1 334.410 3.192 20 0 EGADMP CC[N@@H+](C[C@H](O)c1ccc(C)cc1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000842473176 1321393687 /nfs/dbraw/zinc/39/36/87/1321393687.db2.gz QKCVXORCDIRKRH-FPOVZHCZSA-N 2 1 342.483 3.101 20 0 EGADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc2ccccc2c1 ZINC000843387079 1321509182 /nfs/dbraw/zinc/50/91/82/1321509182.db2.gz DUPJHNUMJLNQTE-OALUTQOASA-N 2 1 337.467 3.100 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])ccc1OC(=O)CC ZINC000844902353 1321656438 /nfs/dbraw/zinc/65/64/38/1321656438.db2.gz PXSVMALLSCZWDA-WBVHZDCISA-N 2 1 348.487 3.350 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cncc3ccccc32)C1 ZINC000844910818 1321656960 /nfs/dbraw/zinc/65/69/60/1321656960.db2.gz JTGINSDLDABVRF-YZGWKJHDSA-N 2 1 325.456 3.096 20 0 EGADMP CC[C@H](C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000845924283 1321754415 /nfs/dbraw/zinc/75/44/15/1321754415.db2.gz WKAHDTFNIOKRRJ-OFLPRAFFSA-N 2 1 339.524 3.144 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000846218383 1321777472 /nfs/dbraw/zinc/77/74/72/1321777472.db2.gz MTZFSDZLDIARBF-INIZCTEOSA-N 2 1 341.293 3.342 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(/C=C/C(=O)OC)o2)CC1 ZINC000848881729 1322026608 /nfs/dbraw/zinc/02/66/08/1322026608.db2.gz RNNNAYHAOFEQMM-CMDGGOBGSA-N 2 1 348.487 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000849050620 1322059229 /nfs/dbraw/zinc/05/92/29/1322059229.db2.gz ABSQEHIRPCWFDT-LBPRGKRZSA-N 2 1 344.381 3.396 20 0 EGADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])NC1CCC1 ZINC000849112124 1322081889 /nfs/dbraw/zinc/08/18/89/1322081889.db2.gz WENFQULIDRSULS-UHFFFAOYSA-N 2 1 326.444 3.078 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])NC1CCC1 ZINC000849112124 1322081892 /nfs/dbraw/zinc/08/18/92/1322081892.db2.gz WENFQULIDRSULS-UHFFFAOYSA-N 2 1 326.444 3.078 20 0 EGADMP CC1(C)CCc2cc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)ccc2O1 ZINC000850395748 1322237947 /nfs/dbraw/zinc/23/79/47/1322237947.db2.gz CCEWGOCLTVUAJA-LJQANCHMSA-N 2 1 344.499 3.133 20 0 EGADMP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000921767649 1322395380 /nfs/dbraw/zinc/39/53/80/1322395380.db2.gz UQCROIFABRVUKH-WCIQWLHISA-N 2 1 348.556 3.133 20 0 EGADMP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000921767649 1322395384 /nfs/dbraw/zinc/39/53/84/1322395384.db2.gz UQCROIFABRVUKH-WCIQWLHISA-N 2 1 348.556 3.133 20 0 EGADMP CCCC[N@@H+](C[C@@H]1CCNC(=O)CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033654 1329033912 /nfs/dbraw/zinc/03/39/12/1329033912.db2.gz JNWLXFQJOPJZRR-INIZCTEOSA-N 2 1 337.552 3.314 20 0 EGADMP O[C@H](C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1Cl ZINC000923361974 1322740892 /nfs/dbraw/zinc/74/08/92/1322740892.db2.gz JEVJGAMSOVHEER-OGHNNQOOSA-N 2 1 343.298 3.348 20 0 EGADMP C[C@@]1(Cc2ccc(Cl)s2)CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923524946 1322769366 /nfs/dbraw/zinc/76/93/66/1322769366.db2.gz BANZDYWERLLRBJ-BBRMVZONSA-N 2 1 340.920 3.177 20 0 EGADMP Cc1csc(C[C@@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000923552370 1322775946 /nfs/dbraw/zinc/77/59/46/1322775946.db2.gz XDBSBLUJMOSDLX-HNNXBMFYSA-N 2 1 327.497 3.162 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000923887366 1322837249 /nfs/dbraw/zinc/83/72/49/1322837249.db2.gz VWDHJXVKDJULNT-MRXNPFEDSA-N 2 1 344.459 3.222 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(-n2cnnc2)c1 ZINC000924574686 1323058965 /nfs/dbraw/zinc/05/89/65/1323058965.db2.gz WUKGXPHEYXYANP-DLBZAZTESA-N 2 1 327.476 3.182 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1 ZINC000924573002 1323059007 /nfs/dbraw/zinc/05/90/07/1323059007.db2.gz NZRBAMCGKSOCNJ-KLAILNCOSA-N 2 1 339.524 3.144 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1cnn(C)n1 ZINC000924632501 1323085412 /nfs/dbraw/zinc/08/54/12/1323085412.db2.gz DIVCFYCZWSAZSX-MRXNPFEDSA-N 2 1 349.482 3.395 20 0 EGADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000924667196 1323102685 /nfs/dbraw/zinc/10/26/85/1323102685.db2.gz HYALRNLVXROCSI-HLIPFELVSA-N 2 1 343.515 3.065 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CCC[C@@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC001024156367 1323178860 /nfs/dbraw/zinc/17/88/60/1323178860.db2.gz MEGJEIIURWKYNE-IBGZPJMESA-N 2 1 347.547 3.047 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(-n3cnnc3)c2)C1 ZINC000924958707 1323228918 /nfs/dbraw/zinc/22/89/18/1323228918.db2.gz GJSNVVSDDAHGBY-IRXDYDNUSA-N 2 1 327.476 3.038 20 0 EGADMP CC[N@H+](CCNC(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl)C(C)C ZINC000852801081 1323243022 /nfs/dbraw/zinc/24/30/22/1323243022.db2.gz GPGLSNXYNLFEIW-OAHLLOKOSA-N 2 1 346.302 3.100 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl)C(C)C ZINC000852801081 1323243027 /nfs/dbraw/zinc/24/30/27/1323243027.db2.gz GPGLSNXYNLFEIW-OAHLLOKOSA-N 2 1 346.302 3.100 20 0 EGADMP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000925018909 1323246884 /nfs/dbraw/zinc/24/68/84/1323246884.db2.gz GPFRUJKIRLAAIO-APWZRJJASA-N 2 1 335.536 3.044 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(-c2ccccc2)no1 ZINC000925023417 1323247485 /nfs/dbraw/zinc/24/74/85/1323247485.db2.gz NAHQFPKXPCXYPK-SJLPKXTDSA-N 2 1 343.471 3.229 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024437643 1323396959 /nfs/dbraw/zinc/39/69/59/1323396959.db2.gz UKFJWWYOMWKSRX-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001024437643 1323396965 /nfs/dbraw/zinc/39/69/65/1323396965.db2.gz UKFJWWYOMWKSRX-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC(C)(C)C ZINC001024437643 1323396973 /nfs/dbraw/zinc/39/69/73/1323396973.db2.gz UKFJWWYOMWKSRX-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024437340 1323397409 /nfs/dbraw/zinc/39/74/09/1323397409.db2.gz QQTSXTWBQBENBM-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1=CCCCC1 ZINC001024437340 1323397420 /nfs/dbraw/zinc/39/74/20/1323397420.db2.gz QQTSXTWBQBENBM-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1=CCCCC1 ZINC001024437340 1323397433 /nfs/dbraw/zinc/39/74/33/1323397433.db2.gz QQTSXTWBQBENBM-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440159 1323401695 /nfs/dbraw/zinc/40/16/95/1323401695.db2.gz LKGRUUAUMRCXEE-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440159 1323401698 /nfs/dbraw/zinc/40/16/98/1323401698.db2.gz LKGRUUAUMRCXEE-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440159 1323401708 /nfs/dbraw/zinc/40/17/08/1323401708.db2.gz LKGRUUAUMRCXEE-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCC(C)(C)C)CC[N@H+]1C ZINC001024448179 1323407094 /nfs/dbraw/zinc/40/70/94/1323407094.db2.gz FBWAISFUSLDSSH-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCC(C)(C)C)CC[NH+]1C ZINC001024448179 1323407098 /nfs/dbraw/zinc/40/70/98/1323407098.db2.gz FBWAISFUSLDSSH-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCC(C)(C)C)CC[NH+]1C ZINC001024448179 1323407101 /nfs/dbraw/zinc/40/71/01/1323407101.db2.gz FBWAISFUSLDSSH-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024513415 1323463424 /nfs/dbraw/zinc/46/34/24/1323463424.db2.gz PQFKJQIWUMSZQF-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024513415 1323463444 /nfs/dbraw/zinc/46/34/44/1323463444.db2.gz PQFKJQIWUMSZQF-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001024513415 1323463449 /nfs/dbraw/zinc/46/34/49/1323463449.db2.gz PQFKJQIWUMSZQF-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001024513415 1323463454 /nfs/dbraw/zinc/46/34/54/1323463454.db2.gz PQFKJQIWUMSZQF-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024521078 1323468811 /nfs/dbraw/zinc/46/88/11/1323468811.db2.gz OKDPKEWNQDRGHG-WBVHZDCISA-N 2 1 342.487 3.273 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CC1 ZINC001024692938 1323609548 /nfs/dbraw/zinc/60/95/48/1323609548.db2.gz UIVWDILONIBIRE-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CC1 ZINC001024692938 1323609551 /nfs/dbraw/zinc/60/95/51/1323609551.db2.gz UIVWDILONIBIRE-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CC1 ZINC001024692938 1323609553 /nfs/dbraw/zinc/60/95/53/1323609553.db2.gz UIVWDILONIBIRE-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001024692608 1323609810 /nfs/dbraw/zinc/60/98/10/1323609810.db2.gz PJRAUZKPJIGZGQ-RTBURBONSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024692608 1323609818 /nfs/dbraw/zinc/60/98/18/1323609818.db2.gz PJRAUZKPJIGZGQ-RTBURBONSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024692608 1323609823 /nfs/dbraw/zinc/60/98/23/1323609823.db2.gz PJRAUZKPJIGZGQ-RTBURBONSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001024959035 1323801267 /nfs/dbraw/zinc/80/12/67/1323801267.db2.gz JLZDHJIGPDDHKC-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCC2)C1 ZINC001024981942 1323812045 /nfs/dbraw/zinc/81/20/45/1323812045.db2.gz ANDQYZWKXXOVOP-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)cs1 ZINC001025003660 1323821361 /nfs/dbraw/zinc/82/13/61/1323821361.db2.gz XCIWOJQOBKTTCK-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(OCC(F)(F)F)c3)C[C@@H]2C1 ZINC000931433855 1329116513 /nfs/dbraw/zinc/11/65/13/1329116513.db2.gz JNVBQBYNFRHEHY-CABCVRRESA-N 2 1 328.378 3.011 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025258657 1324067915 /nfs/dbraw/zinc/06/79/15/1324067915.db2.gz LGBYJXOBQUYIGC-OALUTQOASA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293894 1324121153 /nfs/dbraw/zinc/12/11/53/1324121153.db2.gz GMOORCAAQBBHBI-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025493080 1324344491 /nfs/dbraw/zinc/34/44/91/1324344491.db2.gz KDZMOSKTCMUZTG-PKOBYXMFSA-N 2 1 345.531 3.029 20 0 EGADMP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001025525406 1324371564 /nfs/dbraw/zinc/37/15/64/1324371564.db2.gz NWARCPUFKMBELE-YLJYHZDGSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]CC3CCCCC3)CC2)CC[N@H+]1C ZINC001026497169 1324848553 /nfs/dbraw/zinc/84/85/53/1324848553.db2.gz QVZCQRBZNZZRFC-GHBBCFCZSA-N 2 1 349.563 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001026504172 1324853631 /nfs/dbraw/zinc/85/36/31/1324853631.db2.gz XHILLLOFBCUXRJ-ACBHZAAOSA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001026610628 1324931526 /nfs/dbraw/zinc/93/15/26/1324931526.db2.gz PJZRVSPLUANNRQ-SOAGJPPSSA-N 2 1 349.563 3.458 20 0 EGADMP CCON1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000925135923 1325060046 /nfs/dbraw/zinc/06/00/46/1325060046.db2.gz MDJAJYBLOKUAKW-QAPCUYQASA-N 2 1 337.533 3.137 20 0 EGADMP CCON1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000925135923 1325060055 /nfs/dbraw/zinc/06/00/55/1325060055.db2.gz MDJAJYBLOKUAKW-QAPCUYQASA-N 2 1 337.533 3.137 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001026935621 1325092087 /nfs/dbraw/zinc/09/20/87/1325092087.db2.gz PWJCUUPVALWPAH-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001026935619 1325092147 /nfs/dbraw/zinc/09/21/47/1325092147.db2.gz PWJCUUPVALWPAH-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC001027014412 1325155337 /nfs/dbraw/zinc/15/53/37/1325155337.db2.gz BMWUSJOXWUDFDS-UXHICEINSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963371253 1325175314 /nfs/dbraw/zinc/17/53/14/1325175314.db2.gz CYEOUUWJLFFQKM-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963371253 1325175326 /nfs/dbraw/zinc/17/53/26/1325175326.db2.gz CYEOUUWJLFFQKM-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC1 ZINC000925506097 1325182435 /nfs/dbraw/zinc/18/24/35/1325182435.db2.gz XMGQDKJIHXVWQH-XJGBBZTQSA-N 2 1 327.516 3.331 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CCC2CC2)CC1 ZINC000963385242 1325185041 /nfs/dbraw/zinc/18/50/41/1325185041.db2.gz BFMDCADJWFXIRC-CTWPCTMYSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)C1 ZINC000925588181 1325222202 /nfs/dbraw/zinc/22/22/02/1325222202.db2.gz OOYLNGOKRUWHKI-RLLQIKCJSA-N 2 1 332.536 3.089 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN[C@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cc1 ZINC000925655066 1325250337 /nfs/dbraw/zinc/25/03/37/1325250337.db2.gz UHVRLLOFTMGQLV-FCEUIQTBSA-N 2 1 341.543 3.266 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cc1 ZINC000925655066 1325250347 /nfs/dbraw/zinc/25/03/47/1325250347.db2.gz UHVRLLOFTMGQLV-FCEUIQTBSA-N 3 1 341.543 3.266 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cc1 ZINC000925655066 1325250353 /nfs/dbraw/zinc/25/03/53/1325250353.db2.gz UHVRLLOFTMGQLV-FCEUIQTBSA-N 3 1 341.543 3.266 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](Cn1ccnc1)c1ccccc1 ZINC000925769180 1325291553 /nfs/dbraw/zinc/29/15/53/1325291553.db2.gz BHTBJCNXCPZGLR-UZLBHIALSA-N 3 1 335.455 3.137 20 0 EGADMP CC1(C)[C@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C[C@H]1c1ccccc1 ZINC000925794681 1325304741 /nfs/dbraw/zinc/30/47/41/1325304741.db2.gz VTSCOVLNEXQCAN-GBESFXJTSA-N 2 1 328.500 3.317 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC000963678289 1325373825 /nfs/dbraw/zinc/37/38/25/1325373825.db2.gz VNJLNOUTWPBBTB-UHFFFAOYSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@H](NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)C(C)(C)C[NH+](C)C ZINC000857136374 1325578168 /nfs/dbraw/zinc/57/81/68/1325578168.db2.gz IKFSOTOGQOIVIT-QFBILLFUSA-N 2 1 345.531 3.202 20 0 EGADMP CC(C)NC(=O)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926594811 1327630984 /nfs/dbraw/zinc/63/09/84/1327630984.db2.gz LGZXZIBAPIDJQC-OHSMVPPVSA-N 2 1 343.515 3.075 20 0 EGADMP CC(C)NC(=O)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926594811 1327630992 /nfs/dbraw/zinc/63/09/92/1327630992.db2.gz LGZXZIBAPIDJQC-OHSMVPPVSA-N 2 1 343.515 3.075 20 0 EGADMP CCc1cccc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)c1 ZINC001027460369 1327705496 /nfs/dbraw/zinc/70/54/96/1327705496.db2.gz JGAIMPVVKMUFKN-VQTJNVASSA-N 2 1 345.531 3.012 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3CC4(C3)OCCO4)CC[N@@H+]2C2CC2)cc1 ZINC000926998431 1327812211 /nfs/dbraw/zinc/81/22/11/1327812211.db2.gz CCLCYOPWDSPTHA-ICSRJNTNSA-N 2 1 342.483 3.097 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3CC4(C3)OCCO4)CC[N@H+]2C2CC2)cc1 ZINC000926998431 1327812219 /nfs/dbraw/zinc/81/22/19/1327812219.db2.gz CCLCYOPWDSPTHA-ICSRJNTNSA-N 2 1 342.483 3.097 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH+](C)CC3CCCCC3)C2)CC[N@H+]1C ZINC001027546339 1327851694 /nfs/dbraw/zinc/85/16/94/1327851694.db2.gz MDNNCDLPJPKKTF-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([N@H+](C)CC3CCCCC3)C2)CC[NH+]1C ZINC001027546339 1327851702 /nfs/dbraw/zinc/85/17/02/1327851702.db2.gz MDNNCDLPJPKKTF-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)CC3CCCCC3)C2)CC[NH+]1C ZINC001027546339 1327851714 /nfs/dbraw/zinc/85/17/14/1327851714.db2.gz MDNNCDLPJPKKTF-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001027561746 1327879068 /nfs/dbraw/zinc/87/90/68/1327879068.db2.gz AKTHYQQWGQUQBW-VQTJNVASSA-N 2 1 345.531 3.004 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2 ZINC000965812297 1328036566 /nfs/dbraw/zinc/03/65/66/1328036566.db2.gz AWBPOFAOARAMRJ-MBEFBZSESA-N 2 1 347.547 3.068 20 0 EGADMP C[N@@H+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680651 1328078397 /nfs/dbraw/zinc/07/83/97/1328078397.db2.gz IKNLGPOINRVPKI-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027680651 1328078407 /nfs/dbraw/zinc/07/84/07/1328078407.db2.gz IKNLGPOINRVPKI-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027680651 1328078418 /nfs/dbraw/zinc/07/84/18/1328078418.db2.gz IKNLGPOINRVPKI-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001027878713 1328346015 /nfs/dbraw/zinc/34/60/15/1328346015.db2.gz HKTWAGILSKMBQV-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001027878713 1328346024 /nfs/dbraw/zinc/34/60/24/1328346024.db2.gz HKTWAGILSKMBQV-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001027878713 1328346029 /nfs/dbraw/zinc/34/60/29/1328346029.db2.gz HKTWAGILSKMBQV-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCC1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027884490 1328352345 /nfs/dbraw/zinc/35/23/45/1328352345.db2.gz ADPDNEFXNKWUBJ-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027884490 1328352350 /nfs/dbraw/zinc/35/23/50/1328352350.db2.gz ADPDNEFXNKWUBJ-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027884490 1328352359 /nfs/dbraw/zinc/35/23/59/1328352359.db2.gz ADPDNEFXNKWUBJ-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913087 1328388668 /nfs/dbraw/zinc/38/86/68/1328388668.db2.gz GCIRLGBSRQIEOB-HOCLYGCPSA-N 2 1 337.533 3.050 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913087 1328388675 /nfs/dbraw/zinc/38/86/75/1328388675.db2.gz GCIRLGBSRQIEOB-HOCLYGCPSA-N 2 1 337.533 3.050 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027917906 1328394128 /nfs/dbraw/zinc/39/41/28/1328394128.db2.gz HOECPUAXBGTFQJ-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001027917906 1328394133 /nfs/dbraw/zinc/39/41/33/1328394133.db2.gz HOECPUAXBGTFQJ-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001027917906 1328394143 /nfs/dbraw/zinc/39/41/43/1328394143.db2.gz HOECPUAXBGTFQJ-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCC2CCCC2)C1 ZINC001027924073 1328402896 /nfs/dbraw/zinc/40/28/96/1328402896.db2.gz CUNLZBRPTFYMHS-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCC2CCCC2)C1 ZINC001027924073 1328402901 /nfs/dbraw/zinc/40/29/01/1328402901.db2.gz CUNLZBRPTFYMHS-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCC2CCCC2)C1 ZINC001027924073 1328402906 /nfs/dbraw/zinc/40/29/06/1328402906.db2.gz CUNLZBRPTFYMHS-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CSCC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000932585499 1329824926 /nfs/dbraw/zinc/82/49/26/1329824926.db2.gz AORLLZLENSIYNJ-UHFFFAOYSA-N 2 1 334.529 3.094 20 0 EGADMP CCC[N@@H+](C[C@@H](O)CSC)C1CCN(Cc2ccccc2)CC1 ZINC000934188101 1329953455 /nfs/dbraw/zinc/95/34/55/1329953455.db2.gz JKRIIUJWDZPGOP-LJQANCHMSA-N 2 1 336.545 3.087 20 0 EGADMP C[C@H]1C[C@H](CCNC(=O)CC[NH2+]C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000935058008 1330025927 /nfs/dbraw/zinc/02/59/27/1330025927.db2.gz FLQQDOJKUMASGD-HKUYNNGSSA-N 2 1 345.531 3.182 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccccn1 ZINC000866307076 1330093817 /nfs/dbraw/zinc/09/38/17/1330093817.db2.gz QEHRCPFEKDVBJO-AQNXPRMDSA-N 2 1 331.504 3.136 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940854172 1331222081 /nfs/dbraw/zinc/22/20/81/1331222081.db2.gz YHOBOXHNRVXPMC-GOSISDBHSA-N 2 1 342.487 3.273 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941139604 1331351863 /nfs/dbraw/zinc/35/18/63/1331351863.db2.gz WPAUASVTNXBKKC-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942102371 1331831249 /nfs/dbraw/zinc/83/12/49/1331831249.db2.gz XVPBETRSECRWBB-RDJZCZTQSA-N 2 1 349.544 3.216 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCC2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942258546 1331890673 /nfs/dbraw/zinc/89/06/73/1331890673.db2.gz PULGTHJNZAMLAP-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859447 1332918031 /nfs/dbraw/zinc/91/80/31/1332918031.db2.gz VGZZGDQWNDVDOA-ZRNYENFQSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902371 1332928428 /nfs/dbraw/zinc/92/84/28/1332928428.db2.gz MOLVUSHEXLLRRL-YSTOQKLRSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC[C@@H]2C1 ZINC000946902371 1332928432 /nfs/dbraw/zinc/92/84/32/1332928432.db2.gz MOLVUSHEXLLRRL-YSTOQKLRSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC[C@@H]2C1 ZINC000946902371 1332928435 /nfs/dbraw/zinc/92/84/35/1332928435.db2.gz MOLVUSHEXLLRRL-YSTOQKLRSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CC1CCCC1 ZINC000947309600 1333084018 /nfs/dbraw/zinc/08/40/18/1333084018.db2.gz GJYQXMWODTVOQG-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@H+]1CCC1CC1 ZINC000947361802 1333103215 /nfs/dbraw/zinc/10/32/15/1333103215.db2.gz RLCSGFPENVLMTB-PBHICJAKSA-N 2 1 349.544 3.193 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1CCC(C)(C)C ZINC000947505394 1333149104 /nfs/dbraw/zinc/14/91/04/1333149104.db2.gz ARMSLUIBOBOJKS-RDJZCZTQSA-N 2 1 342.487 3.353 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCC(C)(C)C ZINC000947776064 1333258714 /nfs/dbraw/zinc/25/87/14/1333258714.db2.gz TVMSRKKGZGOULU-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948434528 1333522879 /nfs/dbraw/zinc/52/28/79/1333522879.db2.gz CBMYARPZCJSARE-ROUUACIJSA-N 2 1 344.503 3.040 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948434528 1333522882 /nfs/dbraw/zinc/52/28/82/1333522882.db2.gz CBMYARPZCJSARE-ROUUACIJSA-N 2 1 344.503 3.040 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434975 1333523578 /nfs/dbraw/zinc/52/35/78/1333523578.db2.gz HCRITCONWJENOD-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948434975 1333523582 /nfs/dbraw/zinc/52/35/82/1333523582.db2.gz HCRITCONWJENOD-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948434975 1333523584 /nfs/dbraw/zinc/52/35/84/1333523584.db2.gz HCRITCONWJENOD-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439578 1333526361 /nfs/dbraw/zinc/52/63/61/1333526361.db2.gz SBUOJUHTTAGHDV-UYAOXDASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439578 1333526362 /nfs/dbraw/zinc/52/63/62/1333526362.db2.gz SBUOJUHTTAGHDV-UYAOXDASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439578 1333526365 /nfs/dbraw/zinc/52/63/65/1333526365.db2.gz SBUOJUHTTAGHDV-UYAOXDASSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC000948589388 1333586742 /nfs/dbraw/zinc/58/67/42/1333586742.db2.gz APRRTWBDCQEWAN-NKPXIPJASA-N 2 1 346.862 3.013 20 0 EGADMP C[C@H](F)CC[N@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620880 1333599550 /nfs/dbraw/zinc/59/95/50/1333599550.db2.gz KABXACCKPPVFSL-RDJZCZTQSA-N 2 1 346.450 3.009 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948642833 1333609182 /nfs/dbraw/zinc/60/91/82/1333609182.db2.gz OJCUHVWBCAYAPQ-VQTJNVASSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726697 1333648973 /nfs/dbraw/zinc/64/89/73/1333648973.db2.gz XUOVJEHJMBHRQD-AEFFLSMTSA-N 2 1 349.519 3.314 20 0 EGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000948760220 1333665068 /nfs/dbraw/zinc/66/50/68/1333665068.db2.gz WBJDPHUMNGHSKF-HXUWFJFHSA-N 2 1 347.547 3.118 20 0 EGADMP CC[C@H](C)C[N@@H+]1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820225 1333697779 /nfs/dbraw/zinc/69/77/79/1333697779.db2.gz CGYGRFVUNDLYDR-ROUUACIJSA-N 2 1 348.535 3.366 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820225 1333697781 /nfs/dbraw/zinc/69/77/81/1333697781.db2.gz CGYGRFVUNDLYDR-ROUUACIJSA-N 2 1 348.535 3.366 20 0 EGADMP C[C@H]1CCC[C@@H](CC[NH+]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000950524456 1334084929 /nfs/dbraw/zinc/08/49/29/1334084929.db2.gz PWPXRSYBFHQSGP-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC000951606333 1334277850 /nfs/dbraw/zinc/27/78/50/1334277850.db2.gz RGNHQZBQMHRSFY-HXUWFJFHSA-N 2 1 343.515 3.012 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1C[NH+](CC2CCCCC2)C1 ZINC000952444587 1334461285 /nfs/dbraw/zinc/46/12/85/1334461285.db2.gz WUQDGGXHSYVPHU-QUCCMNQESA-N 2 1 347.547 3.116 20 0 EGADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CCC(C)C)CC[C@@H]2C)ccc2c[nH+]cn21 ZINC000967086929 1335658520 /nfs/dbraw/zinc/65/85/20/1335658520.db2.gz MOYZQFNYUOKPFC-HNAYVOBHSA-N 2 1 342.487 3.129 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967266056 1335681263 /nfs/dbraw/zinc/68/12/63/1335681263.db2.gz ZIOBCIXEYYZJHE-BEFAXECRSA-N 2 1 342.487 3.211 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967266057 1335681455 /nfs/dbraw/zinc/68/14/55/1335681455.db2.gz ZIOBCIXEYYZJHE-DNVCBOLYSA-N 2 1 342.487 3.211 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000968732812 1336030436 /nfs/dbraw/zinc/03/04/36/1336030436.db2.gz SUHKKFRCESPAMN-FUHWJXTLSA-N 2 1 346.519 3.167 20 0 EGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968913608 1336087012 /nfs/dbraw/zinc/08/70/12/1336087012.db2.gz HYPFJWLWTPEVFE-SFHVURJKSA-N 2 1 335.536 3.023 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)cs1 ZINC000968916177 1336087129 /nfs/dbraw/zinc/08/71/29/1336087129.db2.gz YGOIRMSMOSDADA-MSOLQXFVSA-N 2 1 349.544 3.010 20 0 EGADMP CC(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968914532 1336087177 /nfs/dbraw/zinc/08/71/77/1336087177.db2.gz WLNXYGAUVNGIKX-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC(C)C ZINC000968928057 1336092264 /nfs/dbraw/zinc/09/22/64/1336092264.db2.gz ASUQNIZHKONYOD-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC(C)C ZINC000968928057 1336092265 /nfs/dbraw/zinc/09/22/65/1336092265.db2.gz ASUQNIZHKONYOD-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC(C)C ZINC000968928057 1336092268 /nfs/dbraw/zinc/09/22/68/1336092268.db2.gz ASUQNIZHKONYOD-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000968928920 1336093745 /nfs/dbraw/zinc/09/37/45/1336093745.db2.gz XHYMKNWNNGNBBC-VQTJNVASSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928920 1336093746 /nfs/dbraw/zinc/09/37/46/1336093746.db2.gz XHYMKNWNNGNBBC-VQTJNVASSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928920 1336093749 /nfs/dbraw/zinc/09/37/49/1336093749.db2.gz XHYMKNWNNGNBBC-VQTJNVASSA-N 2 1 349.563 3.434 20 0 EGADMP O=C(NC[C@@H]1CCCCC[N@H+]1CCC1CC1)c1ccn2c[nH+]cc2c1 ZINC000968936125 1336095659 /nfs/dbraw/zinc/09/56/59/1336095659.db2.gz BITDJWQIPZGCOH-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP O=C(NC[C@H]1CCCCC[N@H+]1CC1CCC1)c1ccc2c[nH+]cn2c1 ZINC000968955396 1336102117 /nfs/dbraw/zinc/10/21/17/1336102117.db2.gz ULUKSYRNFSEGFN-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005641 1336116261 /nfs/dbraw/zinc/11/62/61/1336116261.db2.gz ZBKNHRDTTSLBNF-KRWDZBQOSA-N 2 1 335.492 3.116 20 0 EGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005641 1336116263 /nfs/dbraw/zinc/11/62/63/1336116263.db2.gz ZBKNHRDTTSLBNF-KRWDZBQOSA-N 2 1 335.492 3.116 20 0 EGADMP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000969594981 1336226350 /nfs/dbraw/zinc/22/63/50/1336226350.db2.gz DIZLJVHHZITYGK-KZNAEPCWSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000969636405 1336231693 /nfs/dbraw/zinc/23/16/93/1336231693.db2.gz MECMASPQUKILEP-QGTPRVQTSA-N 2 1 349.906 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCCC2)C1 ZINC000969794714 1336248271 /nfs/dbraw/zinc/24/82/71/1336248271.db2.gz ZKRJOKHLWGIOJP-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC000969968829 1336267602 /nfs/dbraw/zinc/26/76/02/1336267602.db2.gz LACJMRSRICEOFK-VQIMIIECSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ccsc2)CC1 ZINC001005478787 1336358351 /nfs/dbraw/zinc/35/83/51/1336358351.db2.gz ZKURJNRLPYZOKH-GOSISDBHSA-N 2 1 349.544 3.045 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001005594504 1336377211 /nfs/dbraw/zinc/37/72/11/1336377211.db2.gz ZWTFWOGBDZJPMH-FQEVSTJZSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C2CC[NH+](CC3CC(C)C3)CC2)C1 ZINC001005870364 1336413232 /nfs/dbraw/zinc/41/32/32/1336413232.db2.gz JGGLDFZMLGVGQG-CTWPCTMYSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001005992028 1336435429 /nfs/dbraw/zinc/43/54/29/1336435429.db2.gz RKCHWJUCQKZESY-SFHVURJKSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001005991905 1336435693 /nfs/dbraw/zinc/43/56/93/1336435693.db2.gz QGGBTBURZBIWOP-ZWKOTPCHSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001006001420 1336436031 /nfs/dbraw/zinc/43/60/31/1336436031.db2.gz NPMAHUYCVJZIQJ-FXAWDEMLSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001006291681 1336484375 /nfs/dbraw/zinc/48/43/75/1336484375.db2.gz HUIUEMCKKYDWKH-QZTJIDSGSA-N 2 1 343.515 3.012 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001006923967 1336608004 /nfs/dbraw/zinc/60/80/04/1336608004.db2.gz GRZNCMUBTWLJMO-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001006923967 1336608007 /nfs/dbraw/zinc/60/80/07/1336608007.db2.gz GRZNCMUBTWLJMO-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001006923967 1336608008 /nfs/dbraw/zinc/60/80/08/1336608008.db2.gz GRZNCMUBTWLJMO-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2csc(C)c2)C1 ZINC001007456936 1336650147 /nfs/dbraw/zinc/65/01/47/1336650147.db2.gz IADJFOPSCVOPHW-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2csc(C)c2)C1 ZINC001007456936 1336650149 /nfs/dbraw/zinc/65/01/49/1336650149.db2.gz IADJFOPSCVOPHW-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2csc(C)c2)C1 ZINC001007456936 1336650151 /nfs/dbraw/zinc/65/01/51/1336650151.db2.gz IADJFOPSCVOPHW-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2csc(C)c2)C1 ZINC001007456936 1336650153 /nfs/dbraw/zinc/65/01/53/1336650153.db2.gz IADJFOPSCVOPHW-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007501309 1336658758 /nfs/dbraw/zinc/65/87/58/1336658758.db2.gz XKARZDPLYRQTCD-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001007501309 1336658761 /nfs/dbraw/zinc/65/87/61/1336658761.db2.gz XKARZDPLYRQTCD-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001007501309 1336658767 /nfs/dbraw/zinc/65/87/67/1336658767.db2.gz XKARZDPLYRQTCD-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001007648874 1336683807 /nfs/dbraw/zinc/68/38/07/1336683807.db2.gz VFUQUJYUEXHRSZ-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001007648874 1336683809 /nfs/dbraw/zinc/68/38/09/1336683809.db2.gz VFUQUJYUEXHRSZ-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001007648874 1336683810 /nfs/dbraw/zinc/68/38/10/1336683810.db2.gz VFUQUJYUEXHRSZ-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)cc1 ZINC001007801976 1336703424 /nfs/dbraw/zinc/70/34/24/1336703424.db2.gz VMRPUSGTIQIVLZ-LJQANCHMSA-N 2 1 348.450 3.037 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001007946758 1336737184 /nfs/dbraw/zinc/73/71/84/1336737184.db2.gz DJAPEXYZKSBGKA-GOSISDBHSA-N 2 1 338.455 3.029 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001008164157 1336783187 /nfs/dbraw/zinc/78/31/87/1336783187.db2.gz RPSZRZJUJDDNNU-PKOBYXMFSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008537498 1336877463 /nfs/dbraw/zinc/87/74/63/1336877463.db2.gz DCMDHLBIBOLZBM-XLIONFOSSA-N 2 1 345.531 3.031 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001008750586 1336920239 /nfs/dbraw/zinc/92/02/39/1336920239.db2.gz WTBNHECCIHCVMK-ICSRJNTNSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCC2)C1 ZINC001008757631 1336920958 /nfs/dbraw/zinc/92/09/58/1336920958.db2.gz YVYFVLZTCLKINO-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001008757631 1336920959 /nfs/dbraw/zinc/92/09/59/1336920959.db2.gz YVYFVLZTCLKINO-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001008757631 1336920960 /nfs/dbraw/zinc/92/09/60/1336920960.db2.gz YVYFVLZTCLKINO-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001008763754 1336922494 /nfs/dbraw/zinc/92/24/94/1336922494.db2.gz ANXRLFKQTCSWSN-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001008763754 1336922497 /nfs/dbraw/zinc/92/24/97/1336922497.db2.gz ANXRLFKQTCSWSN-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001008763754 1336922500 /nfs/dbraw/zinc/92/25/00/1336922500.db2.gz ANXRLFKQTCSWSN-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001009043375 1336959768 /nfs/dbraw/zinc/95/97/68/1336959768.db2.gz BABURLYXGCYXTH-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001009204100 1336986224 /nfs/dbraw/zinc/98/62/24/1336986224.db2.gz UFHBKPVAZSPMIW-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001009204100 1336986226 /nfs/dbraw/zinc/98/62/26/1336986226.db2.gz UFHBKPVAZSPMIW-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001009204100 1336986228 /nfs/dbraw/zinc/98/62/28/1336986228.db2.gz UFHBKPVAZSPMIW-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009680162 1337059630 /nfs/dbraw/zinc/05/96/30/1337059630.db2.gz FMVAZJPRWLCRNI-IRXDYDNUSA-N 2 1 349.519 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001014723746 1337885356 /nfs/dbraw/zinc/88/53/56/1337885356.db2.gz RGVGWWXRDDQLAU-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001014723746 1337885360 /nfs/dbraw/zinc/88/53/60/1337885360.db2.gz RGVGWWXRDDQLAU-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001014723746 1337885364 /nfs/dbraw/zinc/88/53/64/1337885364.db2.gz RGVGWWXRDDQLAU-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015114736 1338023370 /nfs/dbraw/zinc/02/33/70/1338023370.db2.gz RUFCEBRPXBAAIY-FUHWJXTLSA-N 2 1 348.450 3.208 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001015603454 1338203944 /nfs/dbraw/zinc/20/39/44/1338203944.db2.gz TUFHEJMAMVIBKP-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001015603454 1338203945 /nfs/dbraw/zinc/20/39/45/1338203945.db2.gz TUFHEJMAMVIBKP-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001015603454 1338203946 /nfs/dbraw/zinc/20/39/46/1338203946.db2.gz TUFHEJMAMVIBKP-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796800 1338315072 /nfs/dbraw/zinc/31/50/72/1338315072.db2.gz RAUNPJFLVZOBJB-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001015796041 1338315733 /nfs/dbraw/zinc/31/57/33/1338315733.db2.gz UZYIHMWKJFFSAP-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001015898253 1338352474 /nfs/dbraw/zinc/35/24/74/1338352474.db2.gz ACIZOSPWQPGWJH-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001015974109 1338387569 /nfs/dbraw/zinc/38/75/69/1338387569.db2.gz YYSQATKUWDUOPW-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001015974109 1338387572 /nfs/dbraw/zinc/38/75/72/1338387572.db2.gz YYSQATKUWDUOPW-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001015974109 1338387577 /nfs/dbraw/zinc/38/75/77/1338387577.db2.gz YYSQATKUWDUOPW-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001015976393 1338388351 /nfs/dbraw/zinc/38/83/51/1338388351.db2.gz MLTATMCHKIHIGJ-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001015976393 1338388352 /nfs/dbraw/zinc/38/83/52/1338388352.db2.gz MLTATMCHKIHIGJ-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001015976393 1338388353 /nfs/dbraw/zinc/38/83/53/1338388353.db2.gz MLTATMCHKIHIGJ-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251377 1338524928 /nfs/dbraw/zinc/52/49/28/1338524928.db2.gz LJUULKVKBFFTQB-MSOLQXFVSA-N 2 1 349.906 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC(CC)CC)CC2 ZINC001016652015 1338679265 /nfs/dbraw/zinc/67/92/65/1338679265.db2.gz NIHGZEKRHJWQNC-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001016688168 1338690745 /nfs/dbraw/zinc/69/07/45/1338690745.db2.gz OSXIGPJPZMFXDM-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@@H+](C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1)CC1CCCCCC1 ZINC001017070472 1338846968 /nfs/dbraw/zinc/84/69/68/1338846968.db2.gz FYGGTIXYHLKSEI-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)CC1CCCCCC1 ZINC001017070472 1338846971 /nfs/dbraw/zinc/84/69/71/1338846971.db2.gz FYGGTIXYHLKSEI-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1)CC1CCCCCC1 ZINC001017070472 1338846973 /nfs/dbraw/zinc/84/69/73/1338846973.db2.gz FYGGTIXYHLKSEI-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001017152021 1338901481 /nfs/dbraw/zinc/90/14/81/1338901481.db2.gz KDMQYNJCPJLTNZ-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001017152021 1338901486 /nfs/dbraw/zinc/90/14/86/1338901486.db2.gz KDMQYNJCPJLTNZ-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001017152021 1338901487 /nfs/dbraw/zinc/90/14/87/1338901487.db2.gz KDMQYNJCPJLTNZ-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1)[NH+](C)C ZINC001017154625 1338905580 /nfs/dbraw/zinc/90/55/80/1338905580.db2.gz VXOLPVGZCHRGEP-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001017194198 1338939561 /nfs/dbraw/zinc/93/95/61/1338939561.db2.gz QYCQMAHDHVNYIJ-ICSRJNTNSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001017194198 1338939564 /nfs/dbraw/zinc/93/95/64/1338939564.db2.gz QYCQMAHDHVNYIJ-ICSRJNTNSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001017194198 1338939568 /nfs/dbraw/zinc/93/95/68/1338939568.db2.gz QYCQMAHDHVNYIJ-ICSRJNTNSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCCC2)C1)[NH+](C)C ZINC001017211817 1338956589 /nfs/dbraw/zinc/95/65/89/1338956589.db2.gz LQXQUTWQSXPHNH-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001017210160 1338957203 /nfs/dbraw/zinc/95/72/03/1338957203.db2.gz XGOBFYBBEVMJQA-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC1CCCC1)C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001017210160 1338957206 /nfs/dbraw/zinc/95/72/06/1338957206.db2.gz XGOBFYBBEVMJQA-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC1CCCC1)C[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001017210160 1338957212 /nfs/dbraw/zinc/95/72/12/1338957212.db2.gz XGOBFYBBEVMJQA-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001017839336 1339429319 /nfs/dbraw/zinc/42/93/19/1339429319.db2.gz KVWYTUJEHANZJX-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001017839336 1339429322 /nfs/dbraw/zinc/42/93/22/1339429322.db2.gz KVWYTUJEHANZJX-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001017839336 1339429325 /nfs/dbraw/zinc/42/93/25/1339429325.db2.gz KVWYTUJEHANZJX-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1ccsc1 ZINC001028181111 1340470979 /nfs/dbraw/zinc/47/09/79/1340470979.db2.gz NTEWTMWJFZGFRC-QZTJIDSGSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccsc1 ZINC001028181111 1340470983 /nfs/dbraw/zinc/47/09/83/1340470983.db2.gz NTEWTMWJFZGFRC-QZTJIDSGSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccsc1 ZINC001028181111 1340470984 /nfs/dbraw/zinc/47/09/84/1340470984.db2.gz NTEWTMWJFZGFRC-QZTJIDSGSA-N 2 1 349.544 3.092 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001028335279 1340573044 /nfs/dbraw/zinc/57/30/44/1340573044.db2.gz REARZDSLCOFSKL-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001028335279 1340573048 /nfs/dbraw/zinc/57/30/48/1340573048.db2.gz REARZDSLCOFSKL-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCC1 ZINC001028335279 1340573056 /nfs/dbraw/zinc/57/30/56/1340573056.db2.gz REARZDSLCOFSKL-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028754799 1340790989 /nfs/dbraw/zinc/79/09/89/1340790989.db2.gz AIDYETYRBFQDEM-AZUAARDMSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028754799 1340790994 /nfs/dbraw/zinc/79/09/94/1340790994.db2.gz AIDYETYRBFQDEM-AZUAARDMSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028754799 1340790998 /nfs/dbraw/zinc/79/09/98/1340790998.db2.gz AIDYETYRBFQDEM-AZUAARDMSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+](CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001028765697 1340798860 /nfs/dbraw/zinc/79/88/60/1340798860.db2.gz CKFFYFWDZANFFG-IHPCNDPISA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001028765697 1340798861 /nfs/dbraw/zinc/79/88/61/1340798861.db2.gz CKFFYFWDZANFFG-IHPCNDPISA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001028765697 1340798862 /nfs/dbraw/zinc/79/88/62/1340798862.db2.gz CKFFYFWDZANFFG-IHPCNDPISA-N 2 1 347.547 3.045 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845918 1340857733 /nfs/dbraw/zinc/85/77/33/1340857733.db2.gz TXMQKIRCVGLNKA-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845918 1340857737 /nfs/dbraw/zinc/85/77/37/1340857737.db2.gz TXMQKIRCVGLNKA-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845918 1340857741 /nfs/dbraw/zinc/85/77/41/1340857741.db2.gz TXMQKIRCVGLNKA-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCC(C)C)C1 ZINC001028918443 1340884179 /nfs/dbraw/zinc/88/41/79/1340884179.db2.gz IATOUBSCXJJJCL-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001028918443 1340884180 /nfs/dbraw/zinc/88/41/80/1340884180.db2.gz IATOUBSCXJJJCL-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001028918443 1340884181 /nfs/dbraw/zinc/88/41/81/1340884181.db2.gz IATOUBSCXJJJCL-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001029003226 1340905405 /nfs/dbraw/zinc/90/54/05/1340905405.db2.gz JFHURPIZKYSXHN-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001029003226 1340905406 /nfs/dbraw/zinc/90/54/06/1340905406.db2.gz JFHURPIZKYSXHN-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001029003226 1340905407 /nfs/dbraw/zinc/90/54/07/1340905407.db2.gz JFHURPIZKYSXHN-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001029169177 1340947608 /nfs/dbraw/zinc/94/76/08/1340947608.db2.gz BZBQQJBBLPHUPE-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001029314548 1340970582 /nfs/dbraw/zinc/97/05/82/1340970582.db2.gz YKTOPBBQUBEQQO-OKZBNKHCSA-N 2 1 346.519 3.118 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001029314548 1340970583 /nfs/dbraw/zinc/97/05/83/1340970583.db2.gz YKTOPBBQUBEQQO-OKZBNKHCSA-N 2 1 346.519 3.118 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC=C(C)C ZINC001029550779 1341010850 /nfs/dbraw/zinc/01/08/50/1341010850.db2.gz YRCBODPDABARDQ-HSALFYBXSA-N 2 1 347.547 3.282 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C ZINC001029550779 1341010851 /nfs/dbraw/zinc/01/08/51/1341010851.db2.gz YRCBODPDABARDQ-HSALFYBXSA-N 2 1 347.547 3.282 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001029550779 1341010852 /nfs/dbraw/zinc/01/08/52/1341010852.db2.gz YRCBODPDABARDQ-HSALFYBXSA-N 2 1 347.547 3.282 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001029599215 1341019193 /nfs/dbraw/zinc/01/91/93/1341019193.db2.gz WGCYSOHRJOMAKK-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001029599215 1341019194 /nfs/dbraw/zinc/01/91/94/1341019194.db2.gz WGCYSOHRJOMAKK-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001029599215 1341019195 /nfs/dbraw/zinc/01/91/95/1341019195.db2.gz WGCYSOHRJOMAKK-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@@H+](C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1)CC1CCC(C)(C)CC1 ZINC001029674136 1341039752 /nfs/dbraw/zinc/03/97/52/1341039752.db2.gz CQMIKLYSSYGGAK-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)CC1CCC(C)(C)CC1 ZINC001029674136 1341039753 /nfs/dbraw/zinc/03/97/53/1341039753.db2.gz CQMIKLYSSYGGAK-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)CC1CCC(C)(C)CC1 ZINC001029674136 1341039754 /nfs/dbraw/zinc/03/97/54/1341039754.db2.gz CQMIKLYSSYGGAK-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029738732 1341059442 /nfs/dbraw/zinc/05/94/42/1341059442.db2.gz CQCCCSLNSCBEPH-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029738732 1341059444 /nfs/dbraw/zinc/05/94/44/1341059444.db2.gz CQCCCSLNSCBEPH-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029738732 1341059446 /nfs/dbraw/zinc/05/94/46/1341059446.db2.gz CQCCCSLNSCBEPH-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1)CC1CCCCC1 ZINC001029759019 1341064556 /nfs/dbraw/zinc/06/45/56/1341064556.db2.gz JNYDWPUIVSTWJV-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1)CC1CCCCC1 ZINC001029759019 1341064558 /nfs/dbraw/zinc/06/45/58/1341064558.db2.gz JNYDWPUIVSTWJV-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1)CC1CCCCC1 ZINC001029759019 1341064560 /nfs/dbraw/zinc/06/45/60/1341064560.db2.gz JNYDWPUIVSTWJV-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001029858377 1341098068 /nfs/dbraw/zinc/09/80/68/1341098068.db2.gz BOXQMIFPZXRBKS-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)c1cccc(Cl)c1 ZINC001030020076 1341159698 /nfs/dbraw/zinc/15/96/98/1341159698.db2.gz LHZIEOIPYZVZFD-FHLIZLRMSA-N 2 1 349.906 3.076 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+]2CCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001030025644 1341160580 /nfs/dbraw/zinc/16/05/80/1341160580.db2.gz GMAGONBGIYIZTQ-QWFCFKBJSA-N 2 1 343.515 3.039 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+]2CCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001030025644 1341160581 /nfs/dbraw/zinc/16/05/81/1341160581.db2.gz GMAGONBGIYIZTQ-QWFCFKBJSA-N 2 1 343.515 3.039 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+]2CCC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001030025644 1341160582 /nfs/dbraw/zinc/16/05/82/1341160582.db2.gz GMAGONBGIYIZTQ-QWFCFKBJSA-N 2 1 343.515 3.039 20 0 EGADMP C[C@H](C(=O)NC1C[NH+](CCCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001031045382 1341269373 /nfs/dbraw/zinc/26/93/73/1341269373.db2.gz MHUIKFAYZBPHAT-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCC1)[NH+]1CCCCCC1 ZINC001032664440 1341576140 /nfs/dbraw/zinc/57/61/40/1341576140.db2.gz BTUNXJTXZWTVPO-HOJAQTOUSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083316 1341719000 /nfs/dbraw/zinc/71/90/00/1341719000.db2.gz ZPVWONIXQDXLPU-UYAOXDASSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033083316 1341719001 /nfs/dbraw/zinc/71/90/01/1341719001.db2.gz ZPVWONIXQDXLPU-UYAOXDASSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033083316 1341719003 /nfs/dbraw/zinc/71/90/03/1341719003.db2.gz ZPVWONIXQDXLPU-UYAOXDASSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](CCC(C)(C)C)C2)C1 ZINC001033355267 1341794982 /nfs/dbraw/zinc/79/49/82/1341794982.db2.gz WTPZSVONPWUPTL-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001033355267 1341794983 /nfs/dbraw/zinc/79/49/83/1341794983.db2.gz WTPZSVONPWUPTL-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001033355267 1341794984 /nfs/dbraw/zinc/79/49/84/1341794984.db2.gz WTPZSVONPWUPTL-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001033530455 1341860180 /nfs/dbraw/zinc/86/01/80/1341860180.db2.gz BCHYOMBBZISELH-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CCC(C)C)C2)o1 ZINC001033699009 1341966169 /nfs/dbraw/zinc/96/61/69/1341966169.db2.gz HVJRJLYIENSKLA-QGZVFWFLSA-N 2 1 349.519 3.314 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033826504 1342027586 /nfs/dbraw/zinc/02/75/86/1342027586.db2.gz QKKLNUADLJVHOU-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033826504 1342027588 /nfs/dbraw/zinc/02/75/88/1342027588.db2.gz QKKLNUADLJVHOU-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033826504 1342027591 /nfs/dbraw/zinc/02/75/91/1342027591.db2.gz QKKLNUADLJVHOU-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033826526 1342028499 /nfs/dbraw/zinc/02/84/99/1342028499.db2.gz QRHDPOCDIUQYBM-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033826526 1342028500 /nfs/dbraw/zinc/02/85/00/1342028500.db2.gz QRHDPOCDIUQYBM-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033826526 1342028504 /nfs/dbraw/zinc/02/85/04/1342028504.db2.gz QRHDPOCDIUQYBM-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033898778 1342070698 /nfs/dbraw/zinc/07/06/98/1342070698.db2.gz SMVKCSRINGQSFW-IBGZPJMESA-N 2 1 342.487 3.307 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034251022 1342347772 /nfs/dbraw/zinc/34/77/72/1342347772.db2.gz UZJCDQUDMVUJTE-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034251022 1342347773 /nfs/dbraw/zinc/34/77/73/1342347773.db2.gz UZJCDQUDMVUJTE-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034251022 1342347776 /nfs/dbraw/zinc/34/77/76/1342347776.db2.gz UZJCDQUDMVUJTE-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001034272580 1342364365 /nfs/dbraw/zinc/36/43/65/1342364365.db2.gz VVZMPPOMZPFMCW-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001034272580 1342364367 /nfs/dbraw/zinc/36/43/67/1342364367.db2.gz VVZMPPOMZPFMCW-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001034272580 1342364373 /nfs/dbraw/zinc/36/43/73/1342364373.db2.gz VVZMPPOMZPFMCW-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001034272580 1342364376 /nfs/dbraw/zinc/36/43/76/1342364376.db2.gz VVZMPPOMZPFMCW-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034378578 1342448068 /nfs/dbraw/zinc/44/80/68/1342448068.db2.gz VOZICKZWTDQQRW-YLJYHZDGSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](CCCC3CCCC3)C2)C1 ZINC001034395442 1342463367 /nfs/dbraw/zinc/46/33/67/1342463367.db2.gz ZHQCFOOHUQPPIK-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CCCC3CCCC3)C2)C1 ZINC001034395442 1342463368 /nfs/dbraw/zinc/46/33/68/1342463368.db2.gz ZHQCFOOHUQPPIK-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001034395442 1342463370 /nfs/dbraw/zinc/46/33/70/1342463370.db2.gz ZHQCFOOHUQPPIK-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444323 1342504264 /nfs/dbraw/zinc/50/42/64/1342504264.db2.gz FIAFRXOJQYCVPP-HXUWFJFHSA-N 2 1 343.515 3.299 20 0 EGADMP CC[C@H](F)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444964 1342505034 /nfs/dbraw/zinc/50/50/34/1342505034.db2.gz OCCWIFVAKUCQGJ-RBUKOAKNSA-N 2 1 349.494 3.081 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034474545 1342529759 /nfs/dbraw/zinc/52/97/59/1342529759.db2.gz LQXYNXYMDUWBJI-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034479353 1342536152 /nfs/dbraw/zinc/53/61/52/1342536152.db2.gz XFBNRVXZFBFNOA-FQEVSTJZSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC(C)C)C1 ZINC001034479751 1342536288 /nfs/dbraw/zinc/53/62/88/1342536288.db2.gz BBJPMOXCWJYQAF-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC(C)C)C1 ZINC001034479751 1342536293 /nfs/dbraw/zinc/53/62/93/1342536293.db2.gz BBJPMOXCWJYQAF-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC(C)C)C1 ZINC001034479751 1342536295 /nfs/dbraw/zinc/53/62/95/1342536295.db2.gz BBJPMOXCWJYQAF-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001034526720 1342583244 /nfs/dbraw/zinc/58/32/44/1342583244.db2.gz AIOORSYEDKOGHH-AZUAARDMSA-N 2 1 343.515 3.123 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001034528542 1342586008 /nfs/dbraw/zinc/58/60/08/1342586008.db2.gz OZZSTBQYXMWKRQ-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](CC2CCCCCC2)C1 ZINC001034530364 1342587094 /nfs/dbraw/zinc/58/70/94/1342587094.db2.gz WNNNFNZQMFURBU-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](CC2CCCCCC2)C1 ZINC001034530364 1342587098 /nfs/dbraw/zinc/58/70/98/1342587098.db2.gz WNNNFNZQMFURBU-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034542055 1342601727 /nfs/dbraw/zinc/60/17/27/1342601727.db2.gz UFMSJSZNNGCJSJ-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC001034607114 1342644817 /nfs/dbraw/zinc/64/48/17/1342644817.db2.gz LDRDYKWEUYXEDE-LWYYNNOASA-N 2 1 343.515 3.249 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCCC2)CC1 ZINC001034606569 1342645078 /nfs/dbraw/zinc/64/50/78/1342645078.db2.gz AWMSRIHITUJADT-UFYCRDLUSA-N 2 1 349.563 3.458 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC001034606844 1342645110 /nfs/dbraw/zinc/64/51/10/1342645110.db2.gz GDIAGGWHNGRWGQ-LEAZDLGRSA-N 2 1 343.515 3.167 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034659669 1342676165 /nfs/dbraw/zinc/67/61/65/1342676165.db2.gz WZBXEQYPTCSKSM-GUDVDZBRSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001034736657 1342729151 /nfs/dbraw/zinc/72/91/51/1342729151.db2.gz ZOBSCQGKUDYGLI-MISYRCLQSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001034738653 1342729977 /nfs/dbraw/zinc/72/99/77/1342729977.db2.gz VIBUBVZTSYIKDW-VBSBHUPXSA-N 2 1 349.563 3.172 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1)C1CCC1 ZINC001034957844 1342852830 /nfs/dbraw/zinc/85/28/30/1342852830.db2.gz LSQZBKUDGHADPB-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035185650 1343000434 /nfs/dbraw/zinc/00/04/34/1343000434.db2.gz YGXBSKOTDILOCR-LJQANCHMSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185650 1343000442 /nfs/dbraw/zinc/00/04/42/1343000442.db2.gz YGXBSKOTDILOCR-LJQANCHMSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185650 1343000445 /nfs/dbraw/zinc/00/04/45/1343000445.db2.gz YGXBSKOTDILOCR-LJQANCHMSA-N 2 1 347.547 3.140 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001035229283 1343050344 /nfs/dbraw/zinc/05/03/44/1343050344.db2.gz FWCVGYVRKHSCSQ-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244224 1343065175 /nfs/dbraw/zinc/06/51/75/1343065175.db2.gz LYTMSORFGAUCST-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035259699 1343087210 /nfs/dbraw/zinc/08/72/10/1343087210.db2.gz DNBSFZCYYBQWPM-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035259699 1343087213 /nfs/dbraw/zinc/08/72/13/1343087213.db2.gz DNBSFZCYYBQWPM-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036903241 1343849732 /nfs/dbraw/zinc/84/97/32/1343849732.db2.gz XNEZBJZTYHVGPF-QUCCMNQESA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036904504 1343851786 /nfs/dbraw/zinc/85/17/86/1343851786.db2.gz SQZNGLFGGSFDAD-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001037862908 1344147212 /nfs/dbraw/zinc/14/72/12/1344147212.db2.gz WMOBCLFYZHSRCF-QUCCMNQESA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001038241036 1344338616 /nfs/dbraw/zinc/33/86/16/1344338616.db2.gz SBBOHPLZDQXJBA-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001038241036 1344338620 /nfs/dbraw/zinc/33/86/20/1344338620.db2.gz SBBOHPLZDQXJBA-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001038241036 1344338624 /nfs/dbraw/zinc/33/86/24/1344338624.db2.gz SBBOHPLZDQXJBA-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248784 1344344297 /nfs/dbraw/zinc/34/42/97/1344344297.db2.gz PQCWNGRQGMMIAM-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248784 1344344301 /nfs/dbraw/zinc/34/43/01/1344344301.db2.gz PQCWNGRQGMMIAM-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248784 1344344303 /nfs/dbraw/zinc/34/43/03/1344344303.db2.gz PQCWNGRQGMMIAM-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCC1 ZINC001038314450 1344375191 /nfs/dbraw/zinc/37/51/91/1344375191.db2.gz KVFYJFLTBSXFCJ-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCC1 ZINC001038314450 1344375194 /nfs/dbraw/zinc/37/51/94/1344375194.db2.gz KVFYJFLTBSXFCJ-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001038321482 1344379183 /nfs/dbraw/zinc/37/91/83/1344379183.db2.gz MSMRJSCEFILXHJ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001038321482 1344379187 /nfs/dbraw/zinc/37/91/87/1344379187.db2.gz MSMRJSCEFILXHJ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001038321482 1344379189 /nfs/dbraw/zinc/37/91/89/1344379189.db2.gz MSMRJSCEFILXHJ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038354597 1344395160 /nfs/dbraw/zinc/39/51/60/1344395160.db2.gz VMKDUSRAPJCPAY-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038354597 1344395164 /nfs/dbraw/zinc/39/51/64/1344395164.db2.gz VMKDUSRAPJCPAY-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038354597 1344395169 /nfs/dbraw/zinc/39/51/69/1344395169.db2.gz VMKDUSRAPJCPAY-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001038444500 1344431314 /nfs/dbraw/zinc/43/13/14/1344431314.db2.gz MVSKHYYAQBVRAP-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001038444500 1344431317 /nfs/dbraw/zinc/43/13/17/1344431317.db2.gz MVSKHYYAQBVRAP-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001038444500 1344431320 /nfs/dbraw/zinc/43/13/20/1344431320.db2.gz MVSKHYYAQBVRAP-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CCCC1CCCC1)c1ccc2c[nH+]cn2c1 ZINC001038520473 1344464564 /nfs/dbraw/zinc/46/45/64/1344464564.db2.gz QRTLSXNFNLYKTI-LJQANCHMSA-N 2 1 340.471 3.109 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039112821 1344784258 /nfs/dbraw/zinc/78/42/58/1344784258.db2.gz IZGXFVDCSJOMDE-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039112821 1344784261 /nfs/dbraw/zinc/78/42/61/1344784261.db2.gz IZGXFVDCSJOMDE-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039112821 1344784263 /nfs/dbraw/zinc/78/42/63/1344784263.db2.gz IZGXFVDCSJOMDE-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039166482 1344852174 /nfs/dbraw/zinc/85/21/74/1344852174.db2.gz ZAZOWBFRYWBGSZ-UYAOXDASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001039166482 1344852179 /nfs/dbraw/zinc/85/21/79/1344852179.db2.gz ZAZOWBFRYWBGSZ-UYAOXDASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001039166482 1344852180 /nfs/dbraw/zinc/85/21/80/1344852180.db2.gz ZAZOWBFRYWBGSZ-UYAOXDASSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039166853 1344852659 /nfs/dbraw/zinc/85/26/59/1344852659.db2.gz GOESQJNDKFSDLQ-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001039183166 1344881064 /nfs/dbraw/zinc/88/10/64/1344881064.db2.gz WYIKNBUHIHBMJA-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001039183166 1344881067 /nfs/dbraw/zinc/88/10/67/1344881067.db2.gz WYIKNBUHIHBMJA-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001039183166 1344881069 /nfs/dbraw/zinc/88/10/69/1344881069.db2.gz WYIKNBUHIHBMJA-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235229 1344956320 /nfs/dbraw/zinc/95/63/20/1344956320.db2.gz VSORCWCKKWMUOE-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039235229 1344956324 /nfs/dbraw/zinc/95/63/24/1344956324.db2.gz VSORCWCKKWMUOE-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039235229 1344956328 /nfs/dbraw/zinc/95/63/28/1344956328.db2.gz VSORCWCKKWMUOE-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001039296065 1345001307 /nfs/dbraw/zinc/00/13/07/1345001307.db2.gz YFHYAFIHOUGVBL-ZNBHLAFESA-N 2 1 347.547 3.305 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001039398069 1345046043 /nfs/dbraw/zinc/04/60/43/1345046043.db2.gz JWEMGMSJTJJHGE-AABGKKOBSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001039398069 1345046046 /nfs/dbraw/zinc/04/60/46/1345046046.db2.gz JWEMGMSJTJJHGE-AABGKKOBSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001039398069 1345046048 /nfs/dbraw/zinc/04/60/48/1345046048.db2.gz JWEMGMSJTJJHGE-AABGKKOBSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001039401926 1345048370 /nfs/dbraw/zinc/04/83/70/1345048370.db2.gz YHIKMTNGACPRHE-JQHSSLGASA-N 2 1 340.471 3.059 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2C(C)C ZINC001039969822 1345271966 /nfs/dbraw/zinc/27/19/66/1345271966.db2.gz XAUKUMPGVYFOKQ-OTWHNJEPSA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C(C)C ZINC001039969822 1345271968 /nfs/dbraw/zinc/27/19/68/1345271968.db2.gz XAUKUMPGVYFOKQ-OTWHNJEPSA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C(C)C ZINC001039969822 1345271970 /nfs/dbraw/zinc/27/19/70/1345271970.db2.gz XAUKUMPGVYFOKQ-OTWHNJEPSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199963 1345372380 /nfs/dbraw/zinc/37/23/80/1345372380.db2.gz DHLHVZAQAVWHPP-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040199963 1345372384 /nfs/dbraw/zinc/37/23/84/1345372384.db2.gz DHLHVZAQAVWHPP-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040199963 1345372386 /nfs/dbraw/zinc/37/23/86/1345372386.db2.gz DHLHVZAQAVWHPP-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040211084 1345377638 /nfs/dbraw/zinc/37/76/38/1345377638.db2.gz TVSQOWLDVDKAJH-QFUCXCTJSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001040211084 1345377643 /nfs/dbraw/zinc/37/76/43/1345377643.db2.gz TVSQOWLDVDKAJH-QFUCXCTJSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040211084 1345377645 /nfs/dbraw/zinc/37/76/45/1345377645.db2.gz TVSQOWLDVDKAJH-QFUCXCTJSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CC=C(C)C)C2 ZINC001040232990 1345387936 /nfs/dbraw/zinc/38/79/36/1345387936.db2.gz UZXZVYKPDYCYSQ-CTNGQTDRSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC=C(C)C)C2 ZINC001040232990 1345387941 /nfs/dbraw/zinc/38/79/41/1345387941.db2.gz UZXZVYKPDYCYSQ-CTNGQTDRSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC=C(C)C)C2 ZINC001040232990 1345387946 /nfs/dbraw/zinc/38/79/46/1345387946.db2.gz UZXZVYKPDYCYSQ-CTNGQTDRSA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001040350036 1345448272 /nfs/dbraw/zinc/44/82/72/1345448272.db2.gz IXNULSIGODTCLL-TZIWHRDSSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001040350036 1345448277 /nfs/dbraw/zinc/44/82/77/1345448277.db2.gz IXNULSIGODTCLL-TZIWHRDSSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001040350036 1345448279 /nfs/dbraw/zinc/44/82/79/1345448279.db2.gz IXNULSIGODTCLL-TZIWHRDSSA-N 2 1 347.547 3.118 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@]3(C2)CCC[NH+](CCC(C)(C)C)C3)C1 ZINC001040493954 1345519746 /nfs/dbraw/zinc/51/97/46/1345519746.db2.gz RJVKEOJLPXOEBU-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC(C)(C)C)C3)C1 ZINC001040493954 1345519751 /nfs/dbraw/zinc/51/97/51/1345519751.db2.gz RJVKEOJLPXOEBU-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC(C)(C)C)C3)C1 ZINC001040493954 1345519755 /nfs/dbraw/zinc/51/97/55/1345519755.db2.gz RJVKEOJLPXOEBU-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CC=C(C)C)C2 ZINC001040545822 1345540048 /nfs/dbraw/zinc/54/00/48/1345540048.db2.gz VDPNZMSPYICEHF-PZJWPPBQSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC=C(C)C)C2 ZINC001040545822 1345540053 /nfs/dbraw/zinc/54/00/53/1345540053.db2.gz VDPNZMSPYICEHF-PZJWPPBQSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC=C(C)C)C2 ZINC001040545822 1345540056 /nfs/dbraw/zinc/54/00/56/1345540056.db2.gz VDPNZMSPYICEHF-PZJWPPBQSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[NH+]1CCC2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040727175 1345571228 /nfs/dbraw/zinc/57/12/28/1345571228.db2.gz PNNQRKGNVXXIAA-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC001040726602 1345571232 /nfs/dbraw/zinc/57/12/32/1345571232.db2.gz LXCJVHXXXAYUQE-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001040849289 1345588260 /nfs/dbraw/zinc/58/82/60/1345588260.db2.gz PSYNOOCBPZVEIL-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041288578 1345694311 /nfs/dbraw/zinc/69/43/11/1345694311.db2.gz YFMBZGOIFBFXBY-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041373391 1345711835 /nfs/dbraw/zinc/71/18/35/1345711835.db2.gz UQWXLEQHKMBIQH-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041373391 1345711837 /nfs/dbraw/zinc/71/18/37/1345711837.db2.gz UQWXLEQHKMBIQH-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001041373391 1345711841 /nfs/dbraw/zinc/71/18/41/1345711841.db2.gz UQWXLEQHKMBIQH-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCC3=CCCCC3)C2)C1)[NH+](C)C ZINC001041688322 1345820348 /nfs/dbraw/zinc/82/03/48/1345820348.db2.gz UHWSKERSOIHNCK-PZJWPPBQSA-N 2 1 347.547 3.142 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[NH+](CC(C)C)C2)C1 ZINC001041781980 1345848007 /nfs/dbraw/zinc/84/80/07/1345848007.db2.gz NRFNLIYARMSYHK-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001041781980 1345848008 /nfs/dbraw/zinc/84/80/08/1345848008.db2.gz NRFNLIYARMSYHK-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001041781980 1345848009 /nfs/dbraw/zinc/84/80/09/1345848009.db2.gz NRFNLIYARMSYHK-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042367974 1346059613 /nfs/dbraw/zinc/05/96/13/1346059613.db2.gz NBTQGQXDSZSNGQ-YLJYHZDGSA-N 2 1 343.515 3.085 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H](C)C2)cs1 ZINC001044630795 1346387978 /nfs/dbraw/zinc/38/79/78/1346387978.db2.gz YXFXOSIAAKYARK-WMLDXEAASA-N 2 1 349.544 3.010 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C[C@H]1C ZINC001044863203 1346448741 /nfs/dbraw/zinc/44/87/41/1346448741.db2.gz FZRUJMNMXMCEDY-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CCCCC2)C1 ZINC001045164200 1346512802 /nfs/dbraw/zinc/51/28/02/1346512802.db2.gz IIPCWMIKVBRQKL-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045321976 1346559918 /nfs/dbraw/zinc/55/99/18/1346559918.db2.gz DMCHWQAIECNUEZ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001045389157 1346580812 /nfs/dbraw/zinc/58/08/12/1346580812.db2.gz GNGQQIUVIKEVSS-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC[NH+](CC2CCCC2)CC1 ZINC001045475668 1346603214 /nfs/dbraw/zinc/60/32/14/1346603214.db2.gz OFMNHPUBDGWNQQ-OALUTQOASA-N 2 1 347.547 3.164 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1(C)CC[NH+](CCC2CCCCC2)CC1 ZINC001045557858 1346628638 /nfs/dbraw/zinc/62/86/38/1346628638.db2.gz XHTDSEDQSSOFHA-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1(C)CC[NH+](CCCC2CCCC2)CC1 ZINC001045557503 1346628899 /nfs/dbraw/zinc/62/88/99/1346628899.db2.gz MXPUNYXSEPAZMR-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001045584549 1346637183 /nfs/dbraw/zinc/63/71/83/1346637183.db2.gz GQPLIAASORDSDL-RTBURBONSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001045585508 1346637729 /nfs/dbraw/zinc/63/77/29/1346637729.db2.gz RYPLQAUMRLZXMY-ZWKOTPCHSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCC(C)C)C1 ZINC001045833066 1346713933 /nfs/dbraw/zinc/71/39/33/1346713933.db2.gz PECBLSNGECBJJB-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)C)C1 ZINC001045833066 1346713937 /nfs/dbraw/zinc/71/39/37/1346713937.db2.gz PECBLSNGECBJJB-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)C)C1 ZINC001045833066 1346713938 /nfs/dbraw/zinc/71/39/38/1346713938.db2.gz PECBLSNGECBJJB-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001045943073 1346778598 /nfs/dbraw/zinc/77/85/98/1346778598.db2.gz FYNXIWRUUKPRHL-OAQYLSRUSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943073 1346778600 /nfs/dbraw/zinc/77/86/00/1346778600.db2.gz FYNXIWRUUKPRHL-OAQYLSRUSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943073 1346778603 /nfs/dbraw/zinc/77/86/03/1346778603.db2.gz FYNXIWRUUKPRHL-OAQYLSRUSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045985811 1346827220 /nfs/dbraw/zinc/82/72/20/1346827220.db2.gz CRCIBJWYXQAJIM-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@]2(CC[NH+](CC(C)C)C2)C1 ZINC001045986260 1346827896 /nfs/dbraw/zinc/82/78/96/1346827896.db2.gz MGIRODAHLAVHQK-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001045986260 1346827898 /nfs/dbraw/zinc/82/78/98/1346827898.db2.gz MGIRODAHLAVHQK-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001045986260 1346827901 /nfs/dbraw/zinc/82/79/01/1346827901.db2.gz MGIRODAHLAVHQK-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[C@H](C(=O)N1CCCC[C@]2(CC[N@H+](C(C)C)C2)C1)[NH+]1CCCC1 ZINC001045986180 1346827937 /nfs/dbraw/zinc/82/79/37/1346827937.db2.gz JGFCMAKCODQKMS-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1c(C(=O)N[C@@]2(C)CC[N@@H+](CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001046435677 1346974844 /nfs/dbraw/zinc/97/48/44/1346974844.db2.gz IHCYAGPNSSNPKB-FQEVSTJZSA-N 2 1 342.487 3.273 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001046556622 1347015605 /nfs/dbraw/zinc/01/56/05/1347015605.db2.gz JVHVYYATLKBVFW-FPOVZHCZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCC2CCCCCC2)C1 ZINC001046556622 1347015606 /nfs/dbraw/zinc/01/56/06/1347015606.db2.gz JVHVYYATLKBVFW-FPOVZHCZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCC2CCCCCC2)C1 ZINC001046556622 1347015608 /nfs/dbraw/zinc/01/56/08/1347015608.db2.gz JVHVYYATLKBVFW-FPOVZHCZSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CCCC(C)C)C1 ZINC001132436534 1375381064 /nfs/dbraw/zinc/38/10/64/1375381064.db2.gz LWORHLYFTQZAFM-ROUUACIJSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCC(C)C)C1 ZINC001132436534 1375381067 /nfs/dbraw/zinc/38/10/67/1375381067.db2.gz LWORHLYFTQZAFM-ROUUACIJSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC(C)C)C1 ZINC001132436534 1375381071 /nfs/dbraw/zinc/38/10/71/1375381071.db2.gz LWORHLYFTQZAFM-ROUUACIJSA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001046739627 1347077578 /nfs/dbraw/zinc/07/75/78/1347077578.db2.gz RMTMQWWEUWYYRO-HXUWFJFHSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047975905 1347431202 /nfs/dbraw/zinc/43/12/02/1347431202.db2.gz PATBVHWENKYMNY-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048525209 1347577612 /nfs/dbraw/zinc/57/76/12/1347577612.db2.gz OYNBYTHSMLKJBP-OMZCGLGVSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[N@@H+]3C1)C2 ZINC001048525209 1347577615 /nfs/dbraw/zinc/57/76/15/1347577615.db2.gz OYNBYTHSMLKJBP-OMZCGLGVSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[N@H+]3C1)C2 ZINC001048525209 1347577616 /nfs/dbraw/zinc/57/76/16/1347577616.db2.gz OYNBYTHSMLKJBP-OMZCGLGVSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)C2 ZINC001048531217 1347580763 /nfs/dbraw/zinc/58/07/63/1347580763.db2.gz IFIJRTNTNLGEOB-ACHSLPGTSA-N 2 1 349.544 3.191 20 0 EGADMP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+]1CCC3)C2 ZINC001048543444 1347585775 /nfs/dbraw/zinc/58/57/75/1347585775.db2.gz ZVYFOSOUHZYMIF-REPLKXPHSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001048556442 1347591628 /nfs/dbraw/zinc/59/16/28/1347591628.db2.gz HCJRNWASKLECLY-XHYRXIGBSA-N 2 1 349.563 3.122 20 0 EGADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001048556442 1347591631 /nfs/dbraw/zinc/59/16/31/1347591631.db2.gz HCJRNWASKLECLY-XHYRXIGBSA-N 2 1 349.563 3.122 20 0 EGADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001048556442 1347591633 /nfs/dbraw/zinc/59/16/33/1347591633.db2.gz HCJRNWASKLECLY-XHYRXIGBSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001048572345 1347598907 /nfs/dbraw/zinc/59/89/07/1347598907.db2.gz DYKJVUCXLLLEHY-YRPNKDGESA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001048572345 1347598912 /nfs/dbraw/zinc/59/89/12/1347598912.db2.gz DYKJVUCXLLLEHY-YRPNKDGESA-N 2 1 347.547 3.019 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001048590605 1347609938 /nfs/dbraw/zinc/60/99/38/1347609938.db2.gz QPXHAJKRNZNIBI-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001048590605 1347609939 /nfs/dbraw/zinc/60/99/39/1347609939.db2.gz QPXHAJKRNZNIBI-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001048590605 1347609940 /nfs/dbraw/zinc/60/99/40/1347609940.db2.gz QPXHAJKRNZNIBI-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001048624680 1347623464 /nfs/dbraw/zinc/62/34/64/1347623464.db2.gz XZVWYXCTDHTKHF-VAMGGRTRSA-N 2 1 349.563 3.173 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049478564 1347868684 /nfs/dbraw/zinc/86/86/84/1347868684.db2.gz PTZVZCFRXGFZQL-OTWHNJEPSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC001049537528 1347897374 /nfs/dbraw/zinc/89/73/74/1347897374.db2.gz RHZYLNOOXMTJPD-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCC1 ZINC001049537528 1347897375 /nfs/dbraw/zinc/89/73/75/1347897375.db2.gz RHZYLNOOXMTJPD-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCC1 ZINC001049537528 1347897378 /nfs/dbraw/zinc/89/73/78/1347897378.db2.gz RHZYLNOOXMTJPD-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1=CCCCC1 ZINC001049553493 1347905492 /nfs/dbraw/zinc/90/54/92/1347905492.db2.gz VKBXWNUTGJXCQM-XUVXKRRUSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1=CCCCC1 ZINC001049553493 1347905494 /nfs/dbraw/zinc/90/54/94/1347905494.db2.gz VKBXWNUTGJXCQM-XUVXKRRUSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1=CCCCC1 ZINC001049553493 1347905495 /nfs/dbraw/zinc/90/54/95/1347905495.db2.gz VKBXWNUTGJXCQM-XUVXKRRUSA-N 2 1 345.531 3.036 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049573290 1347916333 /nfs/dbraw/zinc/91/63/33/1347916333.db2.gz RRYHABZOZGWEHG-RBUKOAKNSA-N 2 1 340.471 3.059 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049573291 1347916474 /nfs/dbraw/zinc/91/64/74/1347916474.db2.gz RRYHABZOZGWEHG-RTBURBONSA-N 2 1 340.471 3.059 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1CCCC1 ZINC001049655829 1347958280 /nfs/dbraw/zinc/95/82/80/1347958280.db2.gz RWLVUBXOYGJFBV-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CCCC1 ZINC001049655829 1347958284 /nfs/dbraw/zinc/95/82/84/1347958284.db2.gz RWLVUBXOYGJFBV-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CCCC1 ZINC001049655829 1347958287 /nfs/dbraw/zinc/95/82/87/1347958287.db2.gz RWLVUBXOYGJFBV-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCC(C)(C)C)CC[N@H+]1C ZINC001049671460 1347965679 /nfs/dbraw/zinc/96/56/79/1347965679.db2.gz LJSUGPPUNPZGMC-VJANTYMQSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001049671460 1347965682 /nfs/dbraw/zinc/96/56/82/1347965682.db2.gz LJSUGPPUNPZGMC-VJANTYMQSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001049671460 1347965683 /nfs/dbraw/zinc/96/56/83/1347965683.db2.gz LJSUGPPUNPZGMC-VJANTYMQSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1=CCCCC1)[NH+](C)C ZINC001049702598 1347980841 /nfs/dbraw/zinc/98/08/41/1347980841.db2.gz IHDUVGJOCBGRHL-XUVXKRRUSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC1CCC1)[NH+](C)C ZINC001049711506 1347986648 /nfs/dbraw/zinc/98/66/48/1347986648.db2.gz MOONIKFQWRGSOL-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001049713324 1347987840 /nfs/dbraw/zinc/98/78/40/1347987840.db2.gz XURMQOPRIRGFCA-CEXWTWQISA-N 2 1 349.563 3.074 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049915618 1348110096 /nfs/dbraw/zinc/11/00/96/1348110096.db2.gz XLTZCJYWGXAKME-ZCNNSNEGSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001050253658 1348219600 /nfs/dbraw/zinc/21/96/00/1348219600.db2.gz MSIDIMABPFCLSS-YLJYHZDGSA-N 2 1 345.531 3.263 20 0 EGADMP C[C@@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001050262663 1348221781 /nfs/dbraw/zinc/22/17/81/1348221781.db2.gz ZXIZXCQSNLLKQM-JXXFODFXSA-N 2 1 343.515 3.094 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001050367154 1348240468 /nfs/dbraw/zinc/24/04/68/1348240468.db2.gz FGTBXQQBWOGFNV-LNLFQRSKSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001050368085 1348240559 /nfs/dbraw/zinc/24/05/59/1348240559.db2.gz RIXHQNCICHQHGP-VBSBHUPXSA-N 2 1 349.563 3.029 20 0 EGADMP O=C(N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001050375060 1348242607 /nfs/dbraw/zinc/24/26/07/1348242607.db2.gz DWNFCUOUYGXTFA-LWYYNNOASA-N 2 1 347.547 3.068 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3=CCCCC3)CC2)C1 ZINC001050385943 1348246568 /nfs/dbraw/zinc/24/65/68/1348246568.db2.gz CFNWEHDFBSFATO-VAMGGRTRSA-N 2 1 347.547 3.093 20 0 EGADMP CC(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001050576984 1348292627 /nfs/dbraw/zinc/29/26/27/1348292627.db2.gz KFEYBVJWBQZKCE-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CC2)CC1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001052381189 1348536881 /nfs/dbraw/zinc/53/68/81/1348536881.db2.gz MBQFLSRRTQACRR-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CC2CC2)CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001052381189 1348536884 /nfs/dbraw/zinc/53/68/84/1348536884.db2.gz MBQFLSRRTQACRR-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001052381189 1348536885 /nfs/dbraw/zinc/53/68/85/1348536885.db2.gz MBQFLSRRTQACRR-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052590536 1348588707 /nfs/dbraw/zinc/58/87/07/1348588707.db2.gz CINAYNQOPQZETH-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)CC1)[NH+]1CCCC1 ZINC001052620722 1348598144 /nfs/dbraw/zinc/59/81/44/1348598144.db2.gz SEASQMYJYHWOCJ-IBGZPJMESA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCC3CCCC3)CC2)CC1 ZINC001052678081 1348626267 /nfs/dbraw/zinc/62/62/67/1348626267.db2.gz UAISWQHASPOCBH-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CCC2=CCCCC2)CC1 ZINC001052712689 1348644598 /nfs/dbraw/zinc/64/45/98/1348644598.db2.gz NLMRQUZFHDJUAF-UYAOXDASSA-N 2 1 347.547 3.332 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC001052712689 1348644601 /nfs/dbraw/zinc/64/46/01/1348644601.db2.gz NLMRQUZFHDJUAF-UYAOXDASSA-N 2 1 347.547 3.332 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC001052712689 1348644602 /nfs/dbraw/zinc/64/46/02/1348644602.db2.gz NLMRQUZFHDJUAF-UYAOXDASSA-N 2 1 347.547 3.332 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CCCC3CCCC3)CC2)C1 ZINC001052712379 1348644964 /nfs/dbraw/zinc/64/49/64/1348644964.db2.gz HTFCLJOZXJUMFX-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCCC3CCCC3)CC2)C1 ZINC001052712379 1348644968 /nfs/dbraw/zinc/64/49/68/1348644968.db2.gz HTFCLJOZXJUMFX-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCCC3CCCC3)CC2)C1 ZINC001052712379 1348644973 /nfs/dbraw/zinc/64/49/73/1348644973.db2.gz HTFCLJOZXJUMFX-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC001052764721 1348669686 /nfs/dbraw/zinc/66/96/86/1348669686.db2.gz RMTVKANRCIVJPO-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001052936419 1348755864 /nfs/dbraw/zinc/75/58/64/1348755864.db2.gz AKMPNJUODSITLE-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001052938451 1348756496 /nfs/dbraw/zinc/75/64/96/1348756496.db2.gz YATGLYAACFNELZ-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052959876 1348772601 /nfs/dbraw/zinc/77/26/01/1348772601.db2.gz ZNMSWKRTUPGAHX-MSOLQXFVSA-N 2 1 349.494 3.081 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC3CC3)CC2)o1 ZINC001052967393 1348778697 /nfs/dbraw/zinc/77/86/97/1348778697.db2.gz HGMICIKHNHUGPV-KRWDZBQOSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](C(C)C)CC1)=C1CCC1 ZINC001052990108 1348790545 /nfs/dbraw/zinc/79/05/45/1348790545.db2.gz LDKUIHWPHCHKCI-BGYRXZFFSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](C(C)C)CC1)=C1CCC1 ZINC001052990108 1348790549 /nfs/dbraw/zinc/79/05/49/1348790549.db2.gz LDKUIHWPHCHKCI-BGYRXZFFSA-N 2 1 345.531 3.035 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053105592 1348943288 /nfs/dbraw/zinc/94/32/88/1348943288.db2.gz PYDMZEMHILSREH-UXHICEINSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001054140635 1349151999 /nfs/dbraw/zinc/15/19/99/1349151999.db2.gz RHOLMJSTFXQLOR-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001054140635 1349152003 /nfs/dbraw/zinc/15/20/03/1349152003.db2.gz RHOLMJSTFXQLOR-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCC(C)C)C2)C1 ZINC001054140635 1349152005 /nfs/dbraw/zinc/15/20/05/1349152005.db2.gz RHOLMJSTFXQLOR-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054196873 1349199524 /nfs/dbraw/zinc/19/95/24/1349199524.db2.gz PARSYZARSLNYTI-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001054196873 1349199526 /nfs/dbraw/zinc/19/95/26/1349199526.db2.gz PARSYZARSLNYTI-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001054196873 1349199530 /nfs/dbraw/zinc/19/95/30/1349199530.db2.gz PARSYZARSLNYTI-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219552 1349216724 /nfs/dbraw/zinc/21/67/24/1349216724.db2.gz QFSRLNWPWINXLA-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+](CCC)C3)cc2C1 ZINC001054277961 1349277956 /nfs/dbraw/zinc/27/79/56/1349277956.db2.gz FTAVMMICGVZOIH-IBGZPJMESA-N 2 1 343.515 3.150 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@H+](CCC)C3)cc2C1 ZINC001054277961 1349277959 /nfs/dbraw/zinc/27/79/59/1349277959.db2.gz FTAVMMICGVZOIH-IBGZPJMESA-N 2 1 343.515 3.150 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+](CCC)C3)cc2C1 ZINC001054277961 1349277963 /nfs/dbraw/zinc/27/79/63/1349277963.db2.gz FTAVMMICGVZOIH-IBGZPJMESA-N 2 1 343.515 3.150 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001080136104 1357497225 /nfs/dbraw/zinc/49/72/25/1357497225.db2.gz BDTUJQCZPIAOGQ-GQIGUUNPSA-N 2 1 348.450 3.146 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC3=CCCCC3)C[C@H]2C)C1 ZINC001080311177 1357568968 /nfs/dbraw/zinc/56/89/68/1357568968.db2.gz UJOCQYUXBWEROM-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC3=CCCCC3)C[C@H]2C)C1 ZINC001080311177 1357568969 /nfs/dbraw/zinc/56/89/69/1357568969.db2.gz UJOCQYUXBWEROM-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2C)C1 ZINC001080311177 1357568971 /nfs/dbraw/zinc/56/89/71/1357568971.db2.gz UJOCQYUXBWEROM-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080667791 1357719684 /nfs/dbraw/zinc/71/96/84/1357719684.db2.gz WGYJXWOLIBGGTA-UYAOXDASSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC001082742784 1358085975 /nfs/dbraw/zinc/08/59/75/1358085975.db2.gz RUVDABMVKPZJCR-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071507988 1354732662 /nfs/dbraw/zinc/73/26/62/1354732662.db2.gz FXGOAIKBQKIUHB-QZTJIDSGSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071508241 1354733242 /nfs/dbraw/zinc/73/32/42/1354733242.db2.gz LHCLWGFEYDJHMC-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@H+]1CC1CCC1 ZINC001071508466 1354733461 /nfs/dbraw/zinc/73/34/61/1354733461.db2.gz OKPXWQYIXQKENE-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@H+]1CC1CCCC1 ZINC001071508721 1354733663 /nfs/dbraw/zinc/73/36/63/1354733663.db2.gz SHWJSDDBPVHQQM-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@H+]1CCC1CC1 ZINC001071508589 1354733859 /nfs/dbraw/zinc/73/38/59/1354733859.db2.gz QHLLLAIBSYSYDL-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@H+]1CC1CCCC1 ZINC001071650328 1354827388 /nfs/dbraw/zinc/82/73/88/1354827388.db2.gz BCGLEZCXOWHOLL-MAUKXSAKSA-N 2 1 340.471 3.107 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071895970 1355011037 /nfs/dbraw/zinc/01/10/37/1355011037.db2.gz CRVUZEARPDSFCR-FXAWDEMLSA-N 2 1 343.515 3.297 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@@H+]1C/C=C\Cl ZINC001072099724 1355130093 /nfs/dbraw/zinc/13/00/93/1355130093.db2.gz WQTWRFPQWXFCPA-JMVVGZTDSA-N 2 1 349.906 3.083 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@H+]1C/C=C\Cl ZINC001072099724 1355130096 /nfs/dbraw/zinc/13/00/96/1355130096.db2.gz WQTWRFPQWXFCPA-JMVVGZTDSA-N 2 1 349.906 3.083 20 0 EGADMP C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C[NH2+]CC1CCCCC1 ZINC001072301473 1355228546 /nfs/dbraw/zinc/22/85/46/1355228546.db2.gz QVRZFKFZFANQKA-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001072309951 1355232290 /nfs/dbraw/zinc/23/22/90/1355232290.db2.gz OUPFRYIWJDEPOS-IRXDYDNUSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CC[N@H+]1CCC2(CN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001072793660 1355441354 /nfs/dbraw/zinc/44/13/54/1355441354.db2.gz LWHXSUHUIMNLMR-UHFFFAOYSA-N 2 1 349.544 3.004 20 0 EGADMP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001183221621 1387282163 /nfs/dbraw/zinc/28/21/63/1387282163.db2.gz TZZZOOAGQCDCND-WDJFIJIBSA-N 2 1 337.552 3.149 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccc(C)cc1)[NH+](C)C ZINC001074066597 1356063364 /nfs/dbraw/zinc/06/33/64/1356063364.db2.gz JGMQSEDQJFOKFY-UXHICEINSA-N 2 1 345.531 3.148 20 0 EGADMP CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001074081469 1356072976 /nfs/dbraw/zinc/07/29/76/1356072976.db2.gz HIXNWSIWGKBDGR-LJQANCHMSA-N 2 1 331.504 3.083 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001074091846 1356078167 /nfs/dbraw/zinc/07/81/67/1356078167.db2.gz IYRRBIXNGWLWDI-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001074091846 1356078170 /nfs/dbraw/zinc/07/81/70/1356078170.db2.gz IYRRBIXNGWLWDI-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001074091846 1356078173 /nfs/dbraw/zinc/07/81/73/1356078173.db2.gz IYRRBIXNGWLWDI-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076324031 1356548866 /nfs/dbraw/zinc/54/88/66/1356548866.db2.gz KQPDBYVQKFJYLM-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCCCF)[NH+](C)C ZINC001099125793 1363638853 /nfs/dbraw/zinc/63/88/53/1363638853.db2.gz KWBLATAKUSIEHW-DLBZAZTESA-N 2 1 343.531 3.073 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC ZINC001323142417 1387300163 /nfs/dbraw/zinc/30/01/63/1387300163.db2.gz IZTXJKJFUPJWIA-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC1CCCCCC1 ZINC001082570140 1358057471 /nfs/dbraw/zinc/05/74/71/1358057471.db2.gz ADXYDNDWENCVDF-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001183517168 1387315915 /nfs/dbraw/zinc/31/59/15/1387315915.db2.gz SERDLNOLHRKGME-YFVAEKQCSA-N 2 1 345.531 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC=C(C)C)C[C@H]21 ZINC001084767749 1358305593 /nfs/dbraw/zinc/30/55/93/1358305593.db2.gz IAAZOTLKPSKVIA-HSALFYBXSA-N 2 1 347.547 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC=C(C)C)C[C@H]21 ZINC001084767749 1358305599 /nfs/dbraw/zinc/30/55/99/1358305599.db2.gz IAAZOTLKPSKVIA-HSALFYBXSA-N 2 1 347.547 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC=C(C)C)C[C@H]21 ZINC001084767749 1358305601 /nfs/dbraw/zinc/30/56/01/1358305601.db2.gz IAAZOTLKPSKVIA-HSALFYBXSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCC3CCCCC3)[C@H]2C1)[NH+](C)C ZINC001085035597 1358372178 /nfs/dbraw/zinc/37/21/78/1358372178.db2.gz GVPWJMWKJIYJBD-AABGKKOBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCC2)C1 ZINC001085224380 1358437147 /nfs/dbraw/zinc/43/71/47/1358437147.db2.gz BHYJBWBQHMYXLQ-VAMGGRTRSA-N 2 1 349.563 3.172 20 0 EGADMP CN(C[C@H]1CC[N@@H+]1CC1CCCC1)C(=O)c1sccc1C[NH+](C)C ZINC001085623489 1358643738 /nfs/dbraw/zinc/64/37/38/1358643738.db2.gz UDGQJODNTBLBOO-QGZVFWFLSA-N 2 1 349.544 3.146 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CC1CCCC1)C(=O)c1sccc1C[NH+](C)C ZINC001085623489 1358643742 /nfs/dbraw/zinc/64/37/42/1358643742.db2.gz UDGQJODNTBLBOO-QGZVFWFLSA-N 2 1 349.544 3.146 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001085628849 1358646482 /nfs/dbraw/zinc/64/64/82/1358646482.db2.gz GOLYLETVUBQGJY-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001085628849 1358646485 /nfs/dbraw/zinc/64/64/85/1358646485.db2.gz GOLYLETVUBQGJY-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCCC1 ZINC001085628849 1358646487 /nfs/dbraw/zinc/64/64/87/1358646487.db2.gz GOLYLETVUBQGJY-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CC1CCCCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001085696040 1358692315 /nfs/dbraw/zinc/69/23/15/1358692315.db2.gz YJELGUWSSXPJOM-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085698977 1358693057 /nfs/dbraw/zinc/69/30/57/1358693057.db2.gz BNZDPNRFRVYOPE-QFBILLFUSA-N 2 1 348.450 3.242 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782569 1358758476 /nfs/dbraw/zinc/75/84/76/1358758476.db2.gz XUZJZRIHWVAADI-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782569 1358758479 /nfs/dbraw/zinc/75/84/79/1358758479.db2.gz XUZJZRIHWVAADI-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782569 1358758481 /nfs/dbraw/zinc/75/84/81/1358758481.db2.gz XUZJZRIHWVAADI-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085798803 1358773825 /nfs/dbraw/zinc/77/38/25/1358773825.db2.gz AYJLLUNHZYXACQ-WOJBJXKFSA-N 2 1 343.515 3.012 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875937 1358840565 /nfs/dbraw/zinc/84/05/65/1358840565.db2.gz MTKQPRJJNGHUGE-HXUWFJFHSA-N 2 1 345.531 3.331 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001086084931 1358992110 /nfs/dbraw/zinc/99/21/10/1358992110.db2.gz LHCKXSQNHZZUQX-HSALFYBXSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086105502 1358998668 /nfs/dbraw/zinc/99/86/68/1358998668.db2.gz PULQLBPZHBRGRR-AQNXPRMDSA-N 2 1 349.563 3.029 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086382802 1359083580 /nfs/dbraw/zinc/08/35/80/1359083580.db2.gz YLITVCQSWXQZQG-LFGUQSLTSA-N 2 1 343.515 3.106 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086382636 1359083593 /nfs/dbraw/zinc/08/35/93/1359083593.db2.gz QFJXUDNATVYHAZ-PWKSQPCKSA-N 2 1 349.563 3.172 20 0 EGADMP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001086502564 1359122365 /nfs/dbraw/zinc/12/23/65/1359122365.db2.gz FMVYAJQJJNDVOM-WTGUMLROSA-N 2 1 347.547 3.068 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086882710 1359220604 /nfs/dbraw/zinc/22/06/04/1359220604.db2.gz HBDYFBKZGUZHRS-ZCNNSNEGSA-N 2 1 347.547 3.236 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001086926710 1359251500 /nfs/dbraw/zinc/25/15/00/1359251500.db2.gz HTCOVHKAMRDFLY-ROUUACIJSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956731 1359277771 /nfs/dbraw/zinc/27/77/71/1359277771.db2.gz WASSAOIEBAUXTO-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956732 1359277876 /nfs/dbraw/zinc/27/78/76/1359277876.db2.gz WASSAOIEBAUXTO-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C(C)(C)[C@H]21 ZINC001087306462 1359393054 /nfs/dbraw/zinc/39/30/54/1359393054.db2.gz JFFUIGNGYSZBDO-NJAFHUGGSA-N 2 1 346.519 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C(C)(C)[C@H]21 ZINC001087306462 1359393058 /nfs/dbraw/zinc/39/30/58/1359393058.db2.gz JFFUIGNGYSZBDO-NJAFHUGGSA-N 2 1 346.519 3.022 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1CCC(C)C ZINC001087602466 1359550886 /nfs/dbraw/zinc/55/08/86/1359550886.db2.gz QWIHNRLRNBUKBO-ZCNNSNEGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1CCC(C)C ZINC001087602466 1359550889 /nfs/dbraw/zinc/55/08/89/1359550889.db2.gz QWIHNRLRNBUKBO-ZCNNSNEGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1CCC(C)C ZINC001087602466 1359550892 /nfs/dbraw/zinc/55/08/92/1359550892.db2.gz QWIHNRLRNBUKBO-ZCNNSNEGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CCC1=CCCCC1 ZINC001087626194 1359561689 /nfs/dbraw/zinc/56/16/89/1359561689.db2.gz OBVVIDGSJLTGBX-ZCNNSNEGSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CCC1=CCCCC1 ZINC001087626194 1359561690 /nfs/dbraw/zinc/56/16/90/1359561690.db2.gz OBVVIDGSJLTGBX-ZCNNSNEGSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CCC1=CCCCC1 ZINC001087626194 1359561693 /nfs/dbraw/zinc/56/16/93/1359561693.db2.gz OBVVIDGSJLTGBX-ZCNNSNEGSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CCC1=CCCCC1 ZINC001087626194 1359561697 /nfs/dbraw/zinc/56/16/97/1359561697.db2.gz OBVVIDGSJLTGBX-ZCNNSNEGSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC[N@H+]1CCC(C)C ZINC001087636422 1359565421 /nfs/dbraw/zinc/56/54/21/1359565421.db2.gz PPJIOZMEGHBRTP-IPMKNSEASA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC[NH+]1CCC(C)C ZINC001087636422 1359565423 /nfs/dbraw/zinc/56/54/23/1359565423.db2.gz PPJIOZMEGHBRTP-IPMKNSEASA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC[NH+]1CCC(C)C ZINC001087636422 1359565426 /nfs/dbraw/zinc/56/54/26/1359565426.db2.gz PPJIOZMEGHBRTP-IPMKNSEASA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[N@H+]1CC=C(C)C ZINC001087791105 1359647168 /nfs/dbraw/zinc/64/71/68/1359647168.db2.gz WDYICBAMMMLJFP-VQTJNVASSA-N 2 1 347.547 3.044 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1C/C=C\Cl ZINC001087840925 1359674881 /nfs/dbraw/zinc/67/48/81/1359674881.db2.gz UUTSEXFPSAUZMM-MQSXSKFUSA-N 2 1 349.906 3.083 20 0 EGADMP Cc1c[nH+]c2ccccc2c1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001323640992 1387415234 /nfs/dbraw/zinc/41/52/34/1387415234.db2.gz HLUZNJRQHFWVIV-LJQANCHMSA-N 2 1 347.462 3.144 20 0 EGADMP C[N@@H+](CC(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1)C1CCC1 ZINC001088327434 1359831855 /nfs/dbraw/zinc/83/18/55/1359831855.db2.gz NDFWUIMEFNAXMV-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCCCC[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001088413282 1359884312 /nfs/dbraw/zinc/88/43/12/1359884312.db2.gz BXVYYQASBIJZHQ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001088419371 1359889183 /nfs/dbraw/zinc/88/91/83/1359889183.db2.gz OOJOUTZYGCKXHO-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001088431064 1359898983 /nfs/dbraw/zinc/89/89/83/1359898983.db2.gz GVXJRJIFOUKVOU-RTBURBONSA-N 2 1 331.504 3.059 20 0 EGADMP CC(C)[NH2+][C@H]1CCCCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001088431062 1359899124 /nfs/dbraw/zinc/89/91/24/1359899124.db2.gz GVXJRJIFOUKVOU-OALUTQOASA-N 2 1 331.504 3.059 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCC(C)(C)C)[C@@H]2C)C1 ZINC001088810042 1360059265 /nfs/dbraw/zinc/05/92/65/1360059265.db2.gz AYPWFTYEGXISLI-KURKYZTESA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)[C@@H]2C)C1 ZINC001088810042 1360059268 /nfs/dbraw/zinc/05/92/68/1360059268.db2.gz AYPWFTYEGXISLI-KURKYZTESA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)[C@@H]2C)C1 ZINC001088810042 1360059271 /nfs/dbraw/zinc/05/92/71/1360059271.db2.gz AYPWFTYEGXISLI-KURKYZTESA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCC(C)(C)C)[C@@H]2C)C1 ZINC001088810043 1360059589 /nfs/dbraw/zinc/05/95/89/1360059589.db2.gz AYPWFTYEGXISLI-SQNIBIBYSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)[C@@H]2C)C1 ZINC001088810043 1360059593 /nfs/dbraw/zinc/05/95/93/1360059593.db2.gz AYPWFTYEGXISLI-SQNIBIBYSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)[C@@H]2C)C1 ZINC001088810043 1360059596 /nfs/dbraw/zinc/05/95/96/1360059596.db2.gz AYPWFTYEGXISLI-SQNIBIBYSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812215 1360060410 /nfs/dbraw/zinc/06/04/10/1360060410.db2.gz RTEZWKRZRVELKL-YZGWKJHDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088812215 1360060413 /nfs/dbraw/zinc/06/04/13/1360060413.db2.gz RTEZWKRZRVELKL-YZGWKJHDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088812215 1360060415 /nfs/dbraw/zinc/06/04/15/1360060415.db2.gz RTEZWKRZRVELKL-YZGWKJHDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812214 1360060481 /nfs/dbraw/zinc/06/04/81/1360060481.db2.gz RTEZWKRZRVELKL-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088812214 1360060484 /nfs/dbraw/zinc/06/04/84/1360060484.db2.gz RTEZWKRZRVELKL-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088812214 1360060488 /nfs/dbraw/zinc/06/04/88/1360060488.db2.gz RTEZWKRZRVELKL-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897685 1360097138 /nfs/dbraw/zinc/09/71/38/1360097138.db2.gz SQKOJYGKKAPIOB-KURKYZTESA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC001089060864 1360152125 /nfs/dbraw/zinc/15/21/25/1360152125.db2.gz KTLIJOZCHGLHBI-UZLBHIALSA-N 2 1 345.531 3.377 20 0 EGADMP C[N@@H+](CC1CCCCC1)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001089252791 1360284199 /nfs/dbraw/zinc/28/41/99/1360284199.db2.gz WJERFVBGLPHLHJ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001089252791 1360284202 /nfs/dbraw/zinc/28/42/02/1360284202.db2.gz WJERFVBGLPHLHJ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001089252791 1360284205 /nfs/dbraw/zinc/28/42/05/1360284205.db2.gz WJERFVBGLPHLHJ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](C(C)C)CC(C)(C)C1 ZINC001089405763 1360404438 /nfs/dbraw/zinc/40/44/38/1360404438.db2.gz DULYYXHKRWICDU-MSOLQXFVSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@@H+](C(C)C)CC(C)(C)C1 ZINC001089405763 1360404444 /nfs/dbraw/zinc/40/44/44/1360404444.db2.gz DULYYXHKRWICDU-MSOLQXFVSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@H+](C(C)C)CC(C)(C)C1 ZINC001089405763 1360404447 /nfs/dbraw/zinc/40/44/47/1360404447.db2.gz DULYYXHKRWICDU-MSOLQXFVSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421510 1360415808 /nfs/dbraw/zinc/41/58/08/1360415808.db2.gz VEELPPORJFHDRG-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089421510 1360415810 /nfs/dbraw/zinc/41/58/10/1360415810.db2.gz VEELPPORJFHDRG-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089421510 1360415813 /nfs/dbraw/zinc/41/58/13/1360415813.db2.gz VEELPPORJFHDRG-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](C(C)C)CC(C)(C)C1 ZINC001089428570 1360420289 /nfs/dbraw/zinc/42/02/89/1360420289.db2.gz ZGQZDYAUXZSVIV-ZWKOTPCHSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C(C)C)CC(C)(C)C1 ZINC001089428570 1360420291 /nfs/dbraw/zinc/42/02/91/1360420291.db2.gz ZGQZDYAUXZSVIV-ZWKOTPCHSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C(C)C)CC(C)(C)C1 ZINC001089428570 1360420294 /nfs/dbraw/zinc/42/02/94/1360420294.db2.gz ZGQZDYAUXZSVIV-ZWKOTPCHSA-N 2 1 337.552 3.122 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477595 1360460266 /nfs/dbraw/zinc/46/02/66/1360460266.db2.gz OAINEUTYEQFZRQ-BZSNNMDCSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477595 1360460268 /nfs/dbraw/zinc/46/02/68/1360460268.db2.gz OAINEUTYEQFZRQ-BZSNNMDCSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477595 1360460269 /nfs/dbraw/zinc/46/02/69/1360460269.db2.gz OAINEUTYEQFZRQ-BZSNNMDCSA-N 2 1 337.552 3.124 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](CCC3CC3)CC(C)(C)C2)C1 ZINC001089487797 1360467668 /nfs/dbraw/zinc/46/76/68/1360467668.db2.gz OHLWQCRPFUXWPE-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCC3CC3)CC(C)(C)C2)C1 ZINC001089487797 1360467672 /nfs/dbraw/zinc/46/76/72/1360467672.db2.gz OHLWQCRPFUXWPE-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCC3CC3)CC(C)(C)C2)C1 ZINC001089487797 1360467674 /nfs/dbraw/zinc/46/76/74/1360467674.db2.gz OHLWQCRPFUXWPE-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001089509057 1360480689 /nfs/dbraw/zinc/48/06/89/1360480689.db2.gz DIJMEVOYCFRENP-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509039 1360480945 /nfs/dbraw/zinc/48/09/45/1360480945.db2.gz DELLLDRFQICXKP-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089536273 1360495335 /nfs/dbraw/zinc/49/53/35/1360495335.db2.gz APGLIHANHOVNMA-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089536273 1360495336 /nfs/dbraw/zinc/49/53/36/1360495336.db2.gz APGLIHANHOVNMA-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089536273 1360495337 /nfs/dbraw/zinc/49/53/37/1360495337.db2.gz APGLIHANHOVNMA-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089562331 1360509885 /nfs/dbraw/zinc/50/98/85/1360509885.db2.gz BTLDIJFCAKHCPJ-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(C)C)CC(C)(C)C1 ZINC001089565391 1360511947 /nfs/dbraw/zinc/51/19/47/1360511947.db2.gz QNZUUQQMNNXSCM-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(C)C)CC(C)(C)C1 ZINC001089565391 1360511949 /nfs/dbraw/zinc/51/19/49/1360511949.db2.gz QNZUUQQMNNXSCM-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(C)C)CC(C)(C)C1 ZINC001089565391 1360511952 /nfs/dbraw/zinc/51/19/52/1360511952.db2.gz QNZUUQQMNNXSCM-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CCCC1 ZINC001089617370 1360536758 /nfs/dbraw/zinc/53/67/58/1360536758.db2.gz ZUSPKTFUYMCFKS-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC1CCCC1 ZINC001089617370 1360536761 /nfs/dbraw/zinc/53/67/61/1360536761.db2.gz ZUSPKTFUYMCFKS-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC1CCCC1 ZINC001089617370 1360536764 /nfs/dbraw/zinc/53/67/64/1360536764.db2.gz ZUSPKTFUYMCFKS-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CCC2CC2)CC[N@H+]1C ZINC001089643542 1360555815 /nfs/dbraw/zinc/55/58/15/1360555815.db2.gz XNJDCYJMZKNAPT-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CCC2CC2)CC[NH+]1C ZINC001089643542 1360555819 /nfs/dbraw/zinc/55/58/19/1360555819.db2.gz XNJDCYJMZKNAPT-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CCC2CC2)CC[NH+]1C ZINC001089643542 1360555820 /nfs/dbraw/zinc/55/58/20/1360555820.db2.gz XNJDCYJMZKNAPT-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001089645857 1360557863 /nfs/dbraw/zinc/55/78/63/1360557863.db2.gz BQYLGONYWPCZGS-RTBURBONSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC=C(C)C ZINC001089645857 1360557866 /nfs/dbraw/zinc/55/78/66/1360557866.db2.gz BQYLGONYWPCZGS-RTBURBONSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC=C(C)C ZINC001089645857 1360557870 /nfs/dbraw/zinc/55/78/70/1360557870.db2.gz BQYLGONYWPCZGS-RTBURBONSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089646026 1360558189 /nfs/dbraw/zinc/55/81/89/1360558189.db2.gz HBWKCTLCCXFHSI-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001089646026 1360558192 /nfs/dbraw/zinc/55/81/92/1360558192.db2.gz HBWKCTLCCXFHSI-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCC1 ZINC001089646026 1360558196 /nfs/dbraw/zinc/55/81/96/1360558196.db2.gz HBWKCTLCCXFHSI-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CCC2CC2)CC[N@H+]1C ZINC001089686391 1360591735 /nfs/dbraw/zinc/59/17/35/1360591735.db2.gz RQJJKYYGDWFPER-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CCC2CC2)CC[NH+]1C ZINC001089686391 1360591738 /nfs/dbraw/zinc/59/17/38/1360591738.db2.gz RQJJKYYGDWFPER-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CCC2CC2)CC[NH+]1C ZINC001089686391 1360591740 /nfs/dbraw/zinc/59/17/40/1360591740.db2.gz RQJJKYYGDWFPER-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089733726 1360637367 /nfs/dbraw/zinc/63/73/67/1360637367.db2.gz AIRXPLMBVBMMGV-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001089733726 1360637368 /nfs/dbraw/zinc/63/73/68/1360637368.db2.gz AIRXPLMBVBMMGV-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001089733726 1360637372 /nfs/dbraw/zinc/63/73/72/1360637372.db2.gz AIRXPLMBVBMMGV-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089734456 1360639201 /nfs/dbraw/zinc/63/92/01/1360639201.db2.gz QTFLEPNGFAHSFN-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001089734456 1360639203 /nfs/dbraw/zinc/63/92/03/1360639203.db2.gz QTFLEPNGFAHSFN-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001089734456 1360639205 /nfs/dbraw/zinc/63/92/05/1360639205.db2.gz QTFLEPNGFAHSFN-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001091026090 1360982576 /nfs/dbraw/zinc/98/25/76/1360982576.db2.gz HQWDMCXCBLACCI-MHJFOBGBSA-N 2 1 347.547 3.234 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001091100199 1360992001 /nfs/dbraw/zinc/99/20/01/1360992001.db2.gz KXYAILXAQHAKQJ-CTWPCTMYSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001091112243 1360993933 /nfs/dbraw/zinc/99/39/33/1360993933.db2.gz MTJYDSYTNJAZIR-MHJFOBGBSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)[C@@]1(CO)CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC001323936879 1387498565 /nfs/dbraw/zinc/49/85/65/1387498565.db2.gz PFKVQYNQGSLPIY-NRFANRHFSA-N 2 1 346.515 3.002 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[NH+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091754551 1361212270 /nfs/dbraw/zinc/21/22/70/1361212270.db2.gz TZAJUQFFUMILGF-OPYAIIAOSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[N@H+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091754551 1361212273 /nfs/dbraw/zinc/21/22/73/1361212273.db2.gz TZAJUQFFUMILGF-OPYAIIAOSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[N@@H+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091754551 1361212274 /nfs/dbraw/zinc/21/22/74/1361212274.db2.gz TZAJUQFFUMILGF-OPYAIIAOSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092508392 1361401353 /nfs/dbraw/zinc/40/13/53/1361401353.db2.gz ZMDMNZKRNKZNKD-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092508392 1361401355 /nfs/dbraw/zinc/40/13/55/1361401355.db2.gz ZMDMNZKRNKZNKD-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092508392 1361401358 /nfs/dbraw/zinc/40/13/58/1361401358.db2.gz ZMDMNZKRNKZNKD-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1C ZINC001184712313 1387516686 /nfs/dbraw/zinc/51/66/86/1387516686.db2.gz LVWHCUMQBKGODO-ZWKOTPCHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001092919388 1361487086 /nfs/dbraw/zinc/48/70/86/1361487086.db2.gz MVYZJDKMGZPMID-CRAIPNDOSA-N 2 1 349.519 3.075 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056647 1361517168 /nfs/dbraw/zinc/51/71/68/1361517168.db2.gz JEQBLIRZESUBTN-SQGPQFPESA-N 2 1 345.531 3.092 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC=C(C)C)C[C@H]1C ZINC001093120964 1361532808 /nfs/dbraw/zinc/53/28/08/1361532808.db2.gz REJDSFYTVIVRBQ-VAMGGRTRSA-N 2 1 349.563 3.291 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001093120964 1361532810 /nfs/dbraw/zinc/53/28/10/1361532810.db2.gz REJDSFYTVIVRBQ-VAMGGRTRSA-N 2 1 349.563 3.291 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001093120964 1361532814 /nfs/dbraw/zinc/53/28/14/1361532814.db2.gz REJDSFYTVIVRBQ-VAMGGRTRSA-N 2 1 349.563 3.291 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCC2)[C@H](C)C1 ZINC001094159394 1361749166 /nfs/dbraw/zinc/74/91/66/1361749166.db2.gz KXADJDGMMOJJJT-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094456628 1361808415 /nfs/dbraw/zinc/80/84/15/1361808415.db2.gz KHHTTXKAQVQGCJ-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CCC[C@@H]12 ZINC001094456628 1361808419 /nfs/dbraw/zinc/80/84/19/1361808419.db2.gz KHHTTXKAQVQGCJ-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3CC(C)C)CCC[C@@H]12 ZINC001094456628 1361808423 /nfs/dbraw/zinc/80/84/23/1361808423.db2.gz KHHTTXKAQVQGCJ-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094528994 1361845955 /nfs/dbraw/zinc/84/59/55/1361845955.db2.gz FJOQNWPGVYGCCL-SFHLNBCPSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094528994 1361845960 /nfs/dbraw/zinc/84/59/60/1361845960.db2.gz FJOQNWPGVYGCCL-SFHLNBCPSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094528994 1361845964 /nfs/dbraw/zinc/84/59/64/1361845964.db2.gz FJOQNWPGVYGCCL-SFHLNBCPSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCC1)CC2 ZINC001094584760 1361871370 /nfs/dbraw/zinc/87/13/70/1361871370.db2.gz FQQIHTJZFYMGRF-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2 ZINC001094584760 1361871374 /nfs/dbraw/zinc/87/13/74/1361871374.db2.gz FQQIHTJZFYMGRF-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2 ZINC001094584760 1361871378 /nfs/dbraw/zinc/87/13/78/1361871378.db2.gz FQQIHTJZFYMGRF-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001184808970 1387543593 /nfs/dbraw/zinc/54/35/93/1387543593.db2.gz CIFLDMRZKVMVSI-IIFCEKJISA-N 2 1 346.519 3.012 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)(C)CC1 ZINC001095242345 1362065245 /nfs/dbraw/zinc/06/52/45/1362065245.db2.gz MDTHHBZYAIURLA-XWSJACJDSA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC(C)(C)CC1 ZINC001095242345 1362065248 /nfs/dbraw/zinc/06/52/48/1362065248.db2.gz MDTHHBZYAIURLA-XWSJACJDSA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC(C)(C)CC1 ZINC001095242345 1362065251 /nfs/dbraw/zinc/06/52/51/1362065251.db2.gz MDTHHBZYAIURLA-XWSJACJDSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001096168255 1362411904 /nfs/dbraw/zinc/41/19/04/1362411904.db2.gz CTTPCONQERVHCN-AABGKKOBSA-N 2 1 341.499 3.050 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001096269437 1362452912 /nfs/dbraw/zinc/45/29/12/1362452912.db2.gz SACQLPAYRBFFMT-AABGKKOBSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097580096 1363060179 /nfs/dbraw/zinc/06/01/79/1363060179.db2.gz RDVGNQQDAYWFCJ-YRXWBPOGSA-N 2 1 347.547 3.019 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCC2)CC1 ZINC001098099294 1363222557 /nfs/dbraw/zinc/22/25/57/1363222557.db2.gz IBSWGBUHCZLNDZ-AQNXPRMDSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC=C(C)C ZINC001098191597 1363250250 /nfs/dbraw/zinc/25/02/50/1363250250.db2.gz KWXXRJHIJZUYFU-YSTOQKLRSA-N 2 1 347.547 3.329 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(C)C ZINC001098191597 1363250254 /nfs/dbraw/zinc/25/02/54/1363250254.db2.gz KWXXRJHIJZUYFU-YSTOQKLRSA-N 2 1 347.547 3.329 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001098191597 1363250258 /nfs/dbraw/zinc/25/02/58/1363250258.db2.gz KWXXRJHIJZUYFU-YSTOQKLRSA-N 2 1 347.547 3.329 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099106172 1363624802 /nfs/dbraw/zinc/62/48/02/1363624802.db2.gz CGSQJGDWPWCINQ-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCCC1 ZINC001099198806 1363687944 /nfs/dbraw/zinc/68/79/44/1363687944.db2.gz FOGDNBLXOFULEF-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCF)[NH+](CC)CC ZINC001099228882 1363701999 /nfs/dbraw/zinc/70/19/99/1363701999.db2.gz CLROUXDCTLSRBB-IRXDYDNUSA-N 2 1 343.531 3.073 20 0 EGADMP CC(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099258513 1363719690 /nfs/dbraw/zinc/71/96/90/1363719690.db2.gz RQJCVQBRJCXPIJ-QGZVFWFLSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099258513 1363719694 /nfs/dbraw/zinc/71/96/94/1363719694.db2.gz RQJCVQBRJCXPIJ-QGZVFWFLSA-N 2 1 348.535 3.269 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099311278 1363744861 /nfs/dbraw/zinc/74/48/61/1363744861.db2.gz ZKRBVLWZPWGXJO-LXORQPIJSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001099311278 1363744865 /nfs/dbraw/zinc/74/48/65/1363744865.db2.gz ZKRBVLWZPWGXJO-LXORQPIJSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001099311278 1363744867 /nfs/dbraw/zinc/74/48/67/1363744867.db2.gz ZKRBVLWZPWGXJO-LXORQPIJSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC[C@@H](C)F ZINC001099320363 1363748341 /nfs/dbraw/zinc/74/83/41/1363748341.db2.gz ITYCCSIYSSPHEU-SJORKVTESA-N 2 1 343.531 3.073 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC[C@@H](C)F ZINC001099320363 1363748343 /nfs/dbraw/zinc/74/83/43/1363748343.db2.gz ITYCCSIYSSPHEU-SJORKVTESA-N 2 1 343.531 3.073 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC[C@@H](C)F ZINC001099320363 1363748349 /nfs/dbraw/zinc/74/83/49/1363748349.db2.gz ITYCCSIYSSPHEU-SJORKVTESA-N 2 1 343.531 3.073 20 0 EGADMP CC(C)CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354062 1363768293 /nfs/dbraw/zinc/76/82/93/1363768293.db2.gz LWZHVHIFIMBXAB-GOSISDBHSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001099354062 1363768298 /nfs/dbraw/zinc/76/82/98/1363768298.db2.gz LWZHVHIFIMBXAB-GOSISDBHSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001099354062 1363768301 /nfs/dbraw/zinc/76/83/01/1363768301.db2.gz LWZHVHIFIMBXAB-GOSISDBHSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099354249 1363768434 /nfs/dbraw/zinc/76/84/34/1363768434.db2.gz PMBPVUXQPWAQIO-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001099457388 1363804881 /nfs/dbraw/zinc/80/48/81/1363804881.db2.gz NXTGGMMXATYAAL-UWJYYQICSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099543527 1363840560 /nfs/dbraw/zinc/84/05/60/1363840560.db2.gz HIBQNINDLZDODU-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099543527 1363840564 /nfs/dbraw/zinc/84/05/64/1363840564.db2.gz HIBQNINDLZDODU-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CC ZINC001099543527 1363840571 /nfs/dbraw/zinc/84/05/71/1363840571.db2.gz HIBQNINDLZDODU-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099543531 1363840621 /nfs/dbraw/zinc/84/06/21/1363840621.db2.gz HIBQNINDLZDODU-YRPNKDGESA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099543531 1363840625 /nfs/dbraw/zinc/84/06/25/1363840625.db2.gz HIBQNINDLZDODU-YRPNKDGESA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CC ZINC001099543531 1363840628 /nfs/dbraw/zinc/84/06/28/1363840628.db2.gz HIBQNINDLZDODU-YRPNKDGESA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099551609 1363844362 /nfs/dbraw/zinc/84/43/62/1363844362.db2.gz ACRPRNQPBBIRAW-HAGHYFMRSA-N 2 1 349.563 3.076 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099551609 1363844366 /nfs/dbraw/zinc/84/43/66/1363844366.db2.gz ACRPRNQPBBIRAW-HAGHYFMRSA-N 2 1 349.563 3.076 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C(C)C ZINC001099551609 1363844370 /nfs/dbraw/zinc/84/43/70/1363844370.db2.gz ACRPRNQPBBIRAW-HAGHYFMRSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001100319357 1364079510 /nfs/dbraw/zinc/07/95/10/1364079510.db2.gz IZNYPQXEDMWUQN-SOAGJPPSSA-N 2 1 349.563 3.314 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCCC3CCCC3)C2)CC[N@H+]1C ZINC001100345293 1364086250 /nfs/dbraw/zinc/08/62/50/1364086250.db2.gz YWAQWONINXIWKA-GHBBCFCZSA-N 2 1 349.563 3.172 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100346032 1364086956 /nfs/dbraw/zinc/08/69/56/1364086956.db2.gz MXUJRNOPYUYNDO-GTPINHCMSA-N 2 1 348.535 3.317 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001100403025 1364103428 /nfs/dbraw/zinc/10/34/28/1364103428.db2.gz BKGBZMKIHFDPRD-BCNJPBROSA-N 2 1 349.563 3.195 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CCCC3CCC3)C2)C1 ZINC001100403327 1364103622 /nfs/dbraw/zinc/10/36/22/1364103622.db2.gz KFGKURPAIACLTI-GPJFCIFZSA-N 2 1 349.563 3.029 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001100406644 1364103942 /nfs/dbraw/zinc/10/39/42/1364103942.db2.gz GNARMFXUYBJXGG-HPEWHVDNSA-N 2 1 349.563 3.480 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001100831342 1364282837 /nfs/dbraw/zinc/28/28/37/1364282837.db2.gz ROSUORXJGKKUBN-LMDPOFIKSA-N 2 1 345.531 3.191 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCC1CC([NH2+]CCC(C)C)C1)c1ccccc1 ZINC001100860000 1364296112 /nfs/dbraw/zinc/29/61/12/1364296112.db2.gz MQGKXIXAPSKRGK-LYBXBRPPSA-N 2 1 345.531 3.210 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+][C@H](C)c2ccccc2F)C1 ZINC001100900290 1364321679 /nfs/dbraw/zinc/32/16/79/1364321679.db2.gz ZHXAQXRVUCLOGY-KLAILNCOSA-N 2 1 349.494 3.103 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101230709 1364476642 /nfs/dbraw/zinc/47/66/42/1364476642.db2.gz GNBHQKJUGWNPEG-DYXWJJEUSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001101230709 1364476643 /nfs/dbraw/zinc/47/66/43/1364476643.db2.gz GNBHQKJUGWNPEG-DYXWJJEUSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001101230709 1364476644 /nfs/dbraw/zinc/47/66/44/1364476644.db2.gz GNBHQKJUGWNPEG-DYXWJJEUSA-N 2 1 349.563 3.076 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001101258724 1364489367 /nfs/dbraw/zinc/48/93/67/1364489367.db2.gz HHGNEWAHLISDOP-SBHAEUEKSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@]2(C)C1 ZINC001101258724 1364489370 /nfs/dbraw/zinc/48/93/70/1364489370.db2.gz HHGNEWAHLISDOP-SBHAEUEKSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@]2(C)C1 ZINC001101258724 1364489373 /nfs/dbraw/zinc/48/93/73/1364489373.db2.gz HHGNEWAHLISDOP-SBHAEUEKSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101362984 1364528141 /nfs/dbraw/zinc/52/81/41/1364528141.db2.gz LUORZIBBWLHDBI-MHNFQHPDSA-N 2 1 349.563 3.243 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001101547555 1364611591 /nfs/dbraw/zinc/61/15/91/1364611591.db2.gz GWQYJWBYDCOSMS-KRWDZBQOSA-N 2 1 346.519 3.025 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101548724 1364611879 /nfs/dbraw/zinc/61/18/79/1364611879.db2.gz GBGBMMIDERLQLR-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375491 1365029191 /nfs/dbraw/zinc/02/91/91/1365029191.db2.gz MSHWSCAIKCOQFU-YZBXUTEPSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375491 1365029192 /nfs/dbraw/zinc/02/91/92/1365029192.db2.gz MSHWSCAIKCOQFU-YZBXUTEPSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375491 1365029196 /nfs/dbraw/zinc/02/91/96/1365029196.db2.gz MSHWSCAIKCOQFU-YZBXUTEPSA-N 2 1 349.563 3.149 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473961 1365074513 /nfs/dbraw/zinc/07/45/13/1365074513.db2.gz YIOTZQMPUDOZIW-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@@H](CC)c2ccccc2)C[C@H]1C ZINC001102525852 1365099369 /nfs/dbraw/zinc/09/93/69/1365099369.db2.gz YAMNEOKVIWQTFX-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](CC)c2ccccc2)C[C@H]1C ZINC001102525852 1365099373 /nfs/dbraw/zinc/09/93/73/1365099373.db2.gz YAMNEOKVIWQTFX-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+]([C@@H](CC)c2ccccc2)C[C@H]1C ZINC001102525852 1365099375 /nfs/dbraw/zinc/09/93/75/1365099375.db2.gz YAMNEOKVIWQTFX-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001102613003 1365137577 /nfs/dbraw/zinc/13/75/77/1365137577.db2.gz HOCKWGMVJLMJQW-UYAOXDASSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CCCC(C)(C)C)C1 ZINC001324669664 1387726883 /nfs/dbraw/zinc/72/68/83/1387726883.db2.gz QUKUQYKTQLOXDI-IBGZPJMESA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CCCC(C)(C)C)C1 ZINC001324669664 1387726892 /nfs/dbraw/zinc/72/68/92/1387726892.db2.gz QUKUQYKTQLOXDI-IBGZPJMESA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](CCCC(C)(C)C)C1 ZINC001324669664 1387726894 /nfs/dbraw/zinc/72/68/94/1387726894.db2.gz QUKUQYKTQLOXDI-IBGZPJMESA-N 2 1 325.541 3.125 20 0 EGADMP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001103007357 1365335217 /nfs/dbraw/zinc/33/52/17/1365335217.db2.gz LADPMMAULOWBED-KZNAEPCWSA-N 2 1 348.535 3.271 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001103007357 1365335218 /nfs/dbraw/zinc/33/52/18/1365335218.db2.gz LADPMMAULOWBED-KZNAEPCWSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001103082354 1365369906 /nfs/dbraw/zinc/36/99/06/1365369906.db2.gz LPGLSJLQTHJEAO-VAMGGRTRSA-N 2 1 349.563 3.005 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103082354 1365369910 /nfs/dbraw/zinc/36/99/10/1365369910.db2.gz LPGLSJLQTHJEAO-VAMGGRTRSA-N 2 1 349.563 3.005 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103082354 1365369912 /nfs/dbraw/zinc/36/99/12/1365369912.db2.gz LPGLSJLQTHJEAO-VAMGGRTRSA-N 2 1 349.563 3.005 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCCC(C)C)[C@H](C)C1 ZINC001185550590 1387745867 /nfs/dbraw/zinc/74/58/67/1387745867.db2.gz VKHYXDOKJDHWLN-MOPGFXCFSA-N 2 1 339.568 3.229 20 0 EGADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC)C2)cc(Cl)c1O ZINC001324703061 1387743468 /nfs/dbraw/zinc/74/34/68/1387743468.db2.gz YWYFLUADOVYXQF-CYBMUJFWSA-N 2 1 326.868 3.266 20 0 EGADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)cc(Cl)c1O ZINC001324703061 1387743472 /nfs/dbraw/zinc/74/34/72/1387743472.db2.gz YWYFLUADOVYXQF-CYBMUJFWSA-N 2 1 326.868 3.266 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001103495686 1365596924 /nfs/dbraw/zinc/59/69/24/1365596924.db2.gz NXDFKPOEKHONFK-VAMGGRTRSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495686 1365596927 /nfs/dbraw/zinc/59/69/27/1365596927.db2.gz NXDFKPOEKHONFK-VAMGGRTRSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495686 1365596928 /nfs/dbraw/zinc/59/69/28/1365596928.db2.gz NXDFKPOEKHONFK-VAMGGRTRSA-N 2 1 349.563 3.290 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722602 1365749116 /nfs/dbraw/zinc/74/91/16/1365749116.db2.gz VQCWJCIKKKDTPA-UYAOXDASSA-N 2 1 347.547 3.047 20 0 EGADMP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104355037 1365983818 /nfs/dbraw/zinc/98/38/18/1365983818.db2.gz KTODIPAOVMEBSR-AHSYYPKJSA-N 2 1 349.563 3.291 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)C)C1 ZINC001104793647 1366175764 /nfs/dbraw/zinc/17/57/64/1366175764.db2.gz CXKDJCIGMVYBGY-IEBWSBKVSA-N 2 1 348.535 3.092 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1(C)CC[NH+](CCCC2CCC2)CC1 ZINC001324881009 1387803829 /nfs/dbraw/zinc/80/38/29/1387803829.db2.gz UJIKCRFNWRNQDL-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396774 1366445377 /nfs/dbraw/zinc/44/53/77/1366445377.db2.gz VYAVBECKDVHYAH-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CC[C@H](C)C2)CCC1 ZINC001105563069 1366532314 /nfs/dbraw/zinc/53/23/14/1366532314.db2.gz CDKNQTYQMSMGTP-RBUKOAKNSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249147 1366633633 /nfs/dbraw/zinc/63/36/33/1366633633.db2.gz AUANEEMTUKAIGX-GGPKGHCWSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106249288 1366633763 /nfs/dbraw/zinc/63/37/63/1366633763.db2.gz FVNWESOMOQZSNV-PFRNKHFKSA-N 2 1 349.563 3.290 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001106255746 1366634946 /nfs/dbraw/zinc/63/49/46/1366634946.db2.gz FVTHKOBLUWXBBW-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001106274730 1366640648 /nfs/dbraw/zinc/64/06/48/1366640648.db2.gz RLDCYTGFLZUVMA-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001107038975 1366862988 /nfs/dbraw/zinc/86/29/88/1366862988.db2.gz JFYVOCCDCSOTQH-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438451 1366963653 /nfs/dbraw/zinc/96/36/53/1366963653.db2.gz AXGJCHAMIJXFQY-TZIWHRDSSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438451 1366963654 /nfs/dbraw/zinc/96/36/54/1366963654.db2.gz AXGJCHAMIJXFQY-TZIWHRDSSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438451 1366963655 /nfs/dbraw/zinc/96/36/55/1366963655.db2.gz AXGJCHAMIJXFQY-TZIWHRDSSA-N 2 1 349.563 3.412 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107450526 1366968091 /nfs/dbraw/zinc/96/80/91/1366968091.db2.gz KHUJBOVAEVUDEP-BAPOODPFSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001107450526 1366968092 /nfs/dbraw/zinc/96/80/92/1366968092.db2.gz KHUJBOVAEVUDEP-BAPOODPFSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001107450526 1366968094 /nfs/dbraw/zinc/96/80/94/1366968094.db2.gz KHUJBOVAEVUDEP-BAPOODPFSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107451462 1366968423 /nfs/dbraw/zinc/96/84/23/1366968423.db2.gz VMNWGXGJQBIVHI-CJCADHRLSA-N 2 1 335.536 3.044 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001324956862 1387849440 /nfs/dbraw/zinc/84/94/40/1387849440.db2.gz GFXWZRKJDNHLCT-UYAOXDASSA-N 2 1 339.568 3.227 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609574 1367070345 /nfs/dbraw/zinc/07/03/45/1367070345.db2.gz XQTATYIPBDCOCN-PVGIVHLXSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609574 1367070349 /nfs/dbraw/zinc/07/03/49/1367070349.db2.gz XQTATYIPBDCOCN-PVGIVHLXSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609574 1367070353 /nfs/dbraw/zinc/07/03/53/1367070353.db2.gz XQTATYIPBDCOCN-PVGIVHLXSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCCC(C)C)CC2 ZINC001107615150 1367075103 /nfs/dbraw/zinc/07/51/03/1367075103.db2.gz SQNFWGXWDQTHGF-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCC(C)C)CC2 ZINC001107615150 1367075108 /nfs/dbraw/zinc/07/51/08/1367075108.db2.gz SQNFWGXWDQTHGF-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC(C)C)CC2 ZINC001107615150 1367075111 /nfs/dbraw/zinc/07/51/11/1367075111.db2.gz SQNFWGXWDQTHGF-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107644674 1367090971 /nfs/dbraw/zinc/09/09/71/1367090971.db2.gz FCVGUXPSCWCXTE-QKNQBKEWSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109396403 1367102930 /nfs/dbraw/zinc/10/29/30/1367102930.db2.gz DIVXOTLZOHXPRJ-CKZPPYNSSA-N 2 1 347.547 3.042 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001109396403 1367102932 /nfs/dbraw/zinc/10/29/32/1367102932.db2.gz DIVXOTLZOHXPRJ-CKZPPYNSSA-N 2 1 347.547 3.042 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001109396403 1367102935 /nfs/dbraw/zinc/10/29/35/1367102935.db2.gz DIVXOTLZOHXPRJ-CKZPPYNSSA-N 2 1 347.547 3.042 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1)C1CC1 ZINC001109402687 1367105418 /nfs/dbraw/zinc/10/54/18/1367105418.db2.gz YMRNQJPNBNFURG-FUMNGEBKSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1)[NH+](C)C ZINC001109428086 1367116062 /nfs/dbraw/zinc/11/60/62/1367116062.db2.gz MICSVPNXZPVPCM-FYQPLNBISA-N 2 1 349.563 3.265 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](C)CC(C)C ZINC001109464376 1367138478 /nfs/dbraw/zinc/13/84/78/1367138478.db2.gz XWHGTAOSNYKLLI-BDXSIMOUSA-N 2 1 337.552 3.120 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](C)CC(C)C ZINC001109464376 1367138482 /nfs/dbraw/zinc/13/84/82/1367138482.db2.gz XWHGTAOSNYKLLI-BDXSIMOUSA-N 2 1 337.552 3.120 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CC(C)C ZINC001109464376 1367138486 /nfs/dbraw/zinc/13/84/86/1367138486.db2.gz XWHGTAOSNYKLLI-BDXSIMOUSA-N 2 1 337.552 3.120 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001109473908 1367146175 /nfs/dbraw/zinc/14/61/75/1367146175.db2.gz JRQFVWISBMPKPP-RRLLLCOMSA-N 2 1 347.547 3.185 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001109473908 1367146180 /nfs/dbraw/zinc/14/61/80/1367146180.db2.gz JRQFVWISBMPKPP-RRLLLCOMSA-N 2 1 347.547 3.185 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001109473908 1367146187 /nfs/dbraw/zinc/14/61/87/1367146187.db2.gz JRQFVWISBMPKPP-RRLLLCOMSA-N 2 1 347.547 3.185 20 0 EGADMP Cc1ccc(F)cc1NC(=O)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001190367156 1367242480 /nfs/dbraw/zinc/24/24/80/1367242480.db2.gz WFPHFPISFZKIRH-UHFFFAOYSA-N 2 1 347.478 3.413 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001190491402 1367275973 /nfs/dbraw/zinc/27/59/73/1367275973.db2.gz GWBSQWRHIVGXBR-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001190491402 1367275978 /nfs/dbraw/zinc/27/59/78/1367275978.db2.gz GWBSQWRHIVGXBR-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001190491402 1367275983 /nfs/dbraw/zinc/27/59/83/1367275983.db2.gz GWBSQWRHIVGXBR-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190657061 1367319667 /nfs/dbraw/zinc/31/96/67/1367319667.db2.gz YHBNMJYWGZKIQM-TZFVZSICSA-N 2 1 347.547 3.282 20 0 EGADMP CC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190657061 1367319673 /nfs/dbraw/zinc/31/96/73/1367319673.db2.gz YHBNMJYWGZKIQM-TZFVZSICSA-N 2 1 347.547 3.282 20 0 EGADMP CC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190657061 1367319679 /nfs/dbraw/zinc/31/96/79/1367319679.db2.gz YHBNMJYWGZKIQM-TZFVZSICSA-N 2 1 347.547 3.282 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001109796958 1367327399 /nfs/dbraw/zinc/32/73/99/1367327399.db2.gz NUHSNZQGSKPUIW-YRXWBPOGSA-N 2 1 335.536 3.163 20 0 EGADMP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109800610 1367328995 /nfs/dbraw/zinc/32/89/95/1367328995.db2.gz IUOMKYNWOSDXNO-BDXSIMOUSA-N 2 1 346.519 3.164 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109800610 1367329002 /nfs/dbraw/zinc/32/90/02/1367329002.db2.gz IUOMKYNWOSDXNO-BDXSIMOUSA-N 2 1 346.519 3.164 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ccccc1C ZINC001109865557 1367370575 /nfs/dbraw/zinc/37/05/75/1367370575.db2.gz UVRHCWAGFYJMLZ-HNJRGHQBSA-N 2 1 343.515 3.119 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001190996217 1367397816 /nfs/dbraw/zinc/39/78/16/1367397816.db2.gz ATPNVOFIXBKAHP-QAPCUYQASA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001190996217 1367397818 /nfs/dbraw/zinc/39/78/18/1367397818.db2.gz ATPNVOFIXBKAHP-QAPCUYQASA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001190996217 1367397823 /nfs/dbraw/zinc/39/78/23/1367397823.db2.gz ATPNVOFIXBKAHP-QAPCUYQASA-N 2 1 349.494 3.150 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@H](C)c2ccccc2C)C1 ZINC001191029083 1367404841 /nfs/dbraw/zinc/40/48/41/1367404841.db2.gz FUGFIBPKZQEDEB-MSOLQXFVSA-N 2 1 345.531 3.319 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191351783 1367481742 /nfs/dbraw/zinc/48/17/42/1367481742.db2.gz LTEZHKZVVPWUGC-GOSISDBHSA-N 2 1 328.460 3.061 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684103 1367560508 /nfs/dbraw/zinc/56/05/08/1367560508.db2.gz NUFGFKWLJNYEJM-QZTJIDSGSA-N 2 1 337.552 3.076 20 0 EGADMP C[N@@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684463 1367560526 /nfs/dbraw/zinc/56/05/26/1367560526.db2.gz SAQNRZBQHKNXGH-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CCC)C2 ZINC001108803680 1367605801 /nfs/dbraw/zinc/60/58/01/1367605801.db2.gz FVQZEIMZUCZSGX-KDHUBKHVSA-N 2 1 349.563 3.434 20 0 EGADMP Cc1ccccc1C[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192385864 1367770475 /nfs/dbraw/zinc/77/04/75/1367770475.db2.gz LZCVGQDNCLHQOC-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP Cc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192385864 1367770480 /nfs/dbraw/zinc/77/04/80/1367770480.db2.gz LZCVGQDNCLHQOC-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP Cc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192385864 1367770482 /nfs/dbraw/zinc/77/04/82/1367770482.db2.gz LZCVGQDNCLHQOC-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP C[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001192654260 1367843417 /nfs/dbraw/zinc/84/34/17/1367843417.db2.gz DYFTVUJQJFPHTC-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192672161 1367846631 /nfs/dbraw/zinc/84/66/31/1367846631.db2.gz ULCYPFJXONVLIK-OALUTQOASA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192672161 1367846635 /nfs/dbraw/zinc/84/66/35/1367846635.db2.gz ULCYPFJXONVLIK-OALUTQOASA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192672161 1367846637 /nfs/dbraw/zinc/84/66/37/1367846637.db2.gz ULCYPFJXONVLIK-OALUTQOASA-N 2 1 337.552 3.362 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001110683183 1367925146 /nfs/dbraw/zinc/92/51/46/1367925146.db2.gz URRVKVRZWJSQMU-MANSERQUSA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001110683183 1367925147 /nfs/dbraw/zinc/92/51/47/1367925147.db2.gz URRVKVRZWJSQMU-MANSERQUSA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001110683183 1367925151 /nfs/dbraw/zinc/92/51/51/1367925151.db2.gz URRVKVRZWJSQMU-MANSERQUSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001193389893 1368017030 /nfs/dbraw/zinc/01/70/30/1368017030.db2.gz JGDCDHSRLHCWIH-RTBURBONSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001193389893 1368017037 /nfs/dbraw/zinc/01/70/37/1368017037.db2.gz JGDCDHSRLHCWIH-RTBURBONSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001193389893 1368017042 /nfs/dbraw/zinc/01/70/42/1368017042.db2.gz JGDCDHSRLHCWIH-RTBURBONSA-N 2 1 337.552 3.364 20 0 EGADMP CC(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408261 1368020900 /nfs/dbraw/zinc/02/09/00/1368020900.db2.gz HDXGTSFUDAQSAD-CTNGQTDRSA-N 2 1 345.531 3.042 20 0 EGADMP CC1CC(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C3)C1 ZINC001110862389 1368041973 /nfs/dbraw/zinc/04/19/73/1368041973.db2.gz NJNRHRMHTUUDLW-JIARVOFWSA-N 2 1 347.547 3.019 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+](C)C)C3)c1 ZINC001110962199 1368126781 /nfs/dbraw/zinc/12/67/81/1368126781.db2.gz NMRXJYKNVVCCNV-AFYVEPGGSA-N 2 1 343.515 3.119 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1)[NH+](CC)CC ZINC001111018187 1368143415 /nfs/dbraw/zinc/14/34/15/1368143415.db2.gz MHDOGXTZSAYMRD-WTGUMLROSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccsc1)[NH+](CC)CC ZINC001111018358 1368144561 /nfs/dbraw/zinc/14/45/61/1368144561.db2.gz RVNRMZIHALWOGA-BDXSIMOUSA-N 2 1 349.544 3.090 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccsc1)[NH+](CC)CC ZINC001111018358 1368144565 /nfs/dbraw/zinc/14/45/65/1368144565.db2.gz RVNRMZIHALWOGA-BDXSIMOUSA-N 2 1 349.544 3.090 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111028735 1368145930 /nfs/dbraw/zinc/14/59/30/1368145930.db2.gz OFVLAXMIDGVBQW-CBETYXLMSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001111028735 1368145932 /nfs/dbraw/zinc/14/59/32/1368145932.db2.gz OFVLAXMIDGVBQW-CBETYXLMSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111028735 1368145935 /nfs/dbraw/zinc/14/59/35/1368145935.db2.gz OFVLAXMIDGVBQW-CBETYXLMSA-N 2 1 335.536 3.042 20 0 EGADMP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111149957 1368166041 /nfs/dbraw/zinc/16/60/41/1368166041.db2.gz CFXUTDANFXRGPH-QRVBRYPASA-N 2 1 346.519 3.129 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111149957 1368166048 /nfs/dbraw/zinc/16/60/48/1368166048.db2.gz CFXUTDANFXRGPH-QRVBRYPASA-N 2 1 346.519 3.129 20 0 EGADMP C[N@@H+](CCC1=CCCCC1)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228064 1368212872 /nfs/dbraw/zinc/21/28/72/1368212872.db2.gz PJQOYPFRDZKGHJ-FQEVSTJZSA-N 2 1 347.547 3.286 20 0 EGADMP CC(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194273985 1368222007 /nfs/dbraw/zinc/22/20/07/1368222007.db2.gz CQGFNLAMDYKFGE-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001111465415 1368311983 /nfs/dbraw/zinc/31/19/83/1368311983.db2.gz UKQVQUPLQXIACA-CQELEZKQSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001111465415 1368311985 /nfs/dbraw/zinc/31/19/85/1368311985.db2.gz UKQVQUPLQXIACA-CQELEZKQSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001111465415 1368311990 /nfs/dbraw/zinc/31/19/90/1368311990.db2.gz UKQVQUPLQXIACA-CQELEZKQSA-N 2 1 347.547 3.329 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001111851461 1368505791 /nfs/dbraw/zinc/50/57/91/1368505791.db2.gz AYTIGLGYUVDGBH-WCMZQQELSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001111851461 1368505794 /nfs/dbraw/zinc/50/57/94/1368505794.db2.gz AYTIGLGYUVDGBH-WCMZQQELSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001111851461 1368505796 /nfs/dbraw/zinc/50/57/96/1368505796.db2.gz AYTIGLGYUVDGBH-WCMZQQELSA-N 2 1 347.547 3.044 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001111859978 1368510516 /nfs/dbraw/zinc/51/05/16/1368510516.db2.gz JSRYDWWNWJNTAW-HRSGFYEVSA-N 2 1 347.547 3.045 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCC(C)CC1)C2 ZINC001111909861 1368550704 /nfs/dbraw/zinc/55/07/04/1368550704.db2.gz LWJRQYMOCWCSRX-XSNSTOHYSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196944127 1368719101 /nfs/dbraw/zinc/71/91/01/1368719101.db2.gz YQPJYOLCDHEMPV-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197331314 1368789454 /nfs/dbraw/zinc/78/94/54/1368789454.db2.gz JOWFQGVLBMLRQT-UEKDZROGSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001197331314 1368789458 /nfs/dbraw/zinc/78/94/58/1368789458.db2.gz JOWFQGVLBMLRQT-UEKDZROGSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001197331314 1368789463 /nfs/dbraw/zinc/78/94/63/1368789463.db2.gz JOWFQGVLBMLRQT-UEKDZROGSA-N 2 1 335.536 3.140 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[NH+](CCCCCF)CC1 ZINC001197477119 1368823495 /nfs/dbraw/zinc/82/34/95/1368823495.db2.gz AHZGXCSRJBKXRI-UHFFFAOYSA-N 2 1 343.531 3.173 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@H+](CCCCCF)CC1 ZINC001197477119 1368823500 /nfs/dbraw/zinc/82/35/00/1368823500.db2.gz AHZGXCSRJBKXRI-UHFFFAOYSA-N 2 1 343.531 3.173 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@@H+](CCCCCF)CC1 ZINC001197477119 1368823503 /nfs/dbraw/zinc/82/35/03/1368823503.db2.gz AHZGXCSRJBKXRI-UHFFFAOYSA-N 2 1 343.531 3.173 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001197706427 1368878051 /nfs/dbraw/zinc/87/80/51/1368878051.db2.gz HWKLVSSZPIYQAJ-UHFFFAOYSA-N 2 1 345.531 3.186 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[N@H+](Cc2ccc(C(C)C)cc2)CC1 ZINC001197706427 1368878058 /nfs/dbraw/zinc/87/80/58/1368878058.db2.gz HWKLVSSZPIYQAJ-UHFFFAOYSA-N 2 1 345.531 3.186 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2ccc(C(C)C)cc2)CC1 ZINC001197706427 1368878060 /nfs/dbraw/zinc/87/80/60/1368878060.db2.gz HWKLVSSZPIYQAJ-UHFFFAOYSA-N 2 1 345.531 3.186 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC2CCC2)C1 ZINC001112585558 1368937993 /nfs/dbraw/zinc/93/79/93/1368937993.db2.gz FADOFZXSMLTQMA-FPOVZHCZSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001325437825 1387972051 /nfs/dbraw/zinc/97/20/51/1387972051.db2.gz LYDMRNFCFFTOGF-WMZOPIPTSA-N 2 1 339.568 3.227 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001198229327 1368984386 /nfs/dbraw/zinc/98/43/86/1368984386.db2.gz GLPMINJUQGFBCT-AATRIKPKSA-N 2 1 343.515 3.252 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001198229046 1368984538 /nfs/dbraw/zinc/98/45/38/1368984538.db2.gz FKDWRXLMMAZTKY-UHFFFAOYSA-N 2 1 345.531 3.332 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001198260075 1368991668 /nfs/dbraw/zinc/99/16/68/1368991668.db2.gz WWFMHXMFEYSIPV-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](C[C@@H](C)CC(C)C)CC1 ZINC001198260075 1368991672 /nfs/dbraw/zinc/99/16/72/1368991672.db2.gz WWFMHXMFEYSIPV-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](C[C@@H](C)CC(C)C)CC1 ZINC001198260075 1368991678 /nfs/dbraw/zinc/99/16/78/1368991678.db2.gz WWFMHXMFEYSIPV-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[NH+](CCC2CCCCCC2)CC1 ZINC001198283019 1368996729 /nfs/dbraw/zinc/99/67/29/1368996729.db2.gz NAROQPIWCHAKIQ-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[N@H+](CCC2CCCCCC2)CC1 ZINC001198283019 1368996732 /nfs/dbraw/zinc/99/67/32/1368996732.db2.gz NAROQPIWCHAKIQ-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[N@@H+](CCC2CCCCCC2)CC1 ZINC001198283019 1368996736 /nfs/dbraw/zinc/99/67/36/1368996736.db2.gz NAROQPIWCHAKIQ-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001198364465 1369016528 /nfs/dbraw/zinc/01/65/28/1369016528.db2.gz VRCIBNHYHLKMEA-UHFFFAOYSA-N 2 1 349.563 3.367 20 0 EGADMP CC/C=C\CC[N@@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198364540 1369016814 /nfs/dbraw/zinc/01/68/14/1369016814.db2.gz ZIYKHGLNZMOZCY-PLNGDYQASA-N 2 1 343.515 3.009 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198364540 1369016817 /nfs/dbraw/zinc/01/68/17/1369016817.db2.gz ZIYKHGLNZMOZCY-PLNGDYQASA-N 2 1 343.515 3.009 20 0 EGADMP CC/C=C\CC[NH+]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001198364540 1369016821 /nfs/dbraw/zinc/01/68/21/1369016821.db2.gz ZIYKHGLNZMOZCY-PLNGDYQASA-N 2 1 343.515 3.009 20 0 EGADMP CC/C=C\CC[NH+]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001198364540 1369016825 /nfs/dbraw/zinc/01/68/25/1369016825.db2.gz ZIYKHGLNZMOZCY-PLNGDYQASA-N 2 1 343.515 3.009 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[NH+](CCCC(C)(C)C)CC1 ZINC001112965156 1369112311 /nfs/dbraw/zinc/11/23/11/1369112311.db2.gz FMPYSZVELIVOAM-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001186598739 1387982939 /nfs/dbraw/zinc/98/29/39/1387982939.db2.gz WKDIVBLGNLFZFR-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+]2CCN(C(=O)CCC[NH+](C)C)CC2)cc1 ZINC001113275369 1369309393 /nfs/dbraw/zinc/30/93/93/1369309393.db2.gz KUVOCKGJWADPDY-SFHVURJKSA-N 2 1 345.531 3.357 20 0 EGADMP CC[C@H](C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[NH+](CC)CC ZINC001113341398 1369358818 /nfs/dbraw/zinc/35/88/18/1369358818.db2.gz WBYQWWXUMXIJAF-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001113355842 1369367037 /nfs/dbraw/zinc/36/70/37/1369367037.db2.gz RZXRSCAAATUJKD-IBGZPJMESA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001113355842 1369367040 /nfs/dbraw/zinc/36/70/40/1369367040.db2.gz RZXRSCAAATUJKD-IBGZPJMESA-N 2 1 345.531 3.260 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001113402829 1369401013 /nfs/dbraw/zinc/40/10/13/1369401013.db2.gz GZSOGOKKVCMYCK-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(C)C ZINC001113441661 1369431481 /nfs/dbraw/zinc/43/14/81/1369431481.db2.gz MGPVXXYPAFREJJ-AZUAARDMSA-N 2 1 345.531 3.258 20 0 EGADMP CC[N@H+](C)CCC(=O)N1CC[NH+]([C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC001113499276 1369466983 /nfs/dbraw/zinc/46/69/83/1369466983.db2.gz QXHOHSNMTQUGGD-GOSISDBHSA-N 2 1 345.531 3.357 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[NH+]([C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC001113499276 1369466985 /nfs/dbraw/zinc/46/69/85/1369466985.db2.gz QXHOHSNMTQUGGD-GOSISDBHSA-N 2 1 345.531 3.357 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]CCCC3CCC3)CC2)C1 ZINC001201044079 1369470630 /nfs/dbraw/zinc/47/06/30/1369470630.db2.gz PEQGCUUAEMFDQW-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053811 1369473268 /nfs/dbraw/zinc/47/32/68/1369473268.db2.gz YFERDYJJUGBUEU-WMZOPIPTSA-N 2 1 346.519 3.023 20 0 EGADMP CCOC(=O)C1CC[NH+](C2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC001201409010 1369538528 /nfs/dbraw/zinc/53/85/28/1369538528.db2.gz OKRHNPXJDPUXTP-KRWDZBQOSA-N 2 1 334.504 3.082 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001325605992 1388009892 /nfs/dbraw/zinc/00/98/92/1388009892.db2.gz ILLRBDGEHIHWED-WJMWBRGCSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001325605992 1388009894 /nfs/dbraw/zinc/00/98/94/1388009894.db2.gz ILLRBDGEHIHWED-WJMWBRGCSA-N 2 1 329.532 3.359 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001201502342 1369558727 /nfs/dbraw/zinc/55/87/27/1369558727.db2.gz HPOHVZHVZRCKHA-UYAOXDASSA-N 2 1 345.531 3.431 20 0 EGADMP CCC[C@@H](C)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001201543874 1369569597 /nfs/dbraw/zinc/56/95/97/1369569597.db2.gz LLVBNTRKDJIFKK-MISYRCLQSA-N 2 1 331.504 3.041 20 0 EGADMP CCC[C@@H](C)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001201543874 1369569601 /nfs/dbraw/zinc/56/96/01/1369569601.db2.gz LLVBNTRKDJIFKK-MISYRCLQSA-N 2 1 331.504 3.041 20 0 EGADMP CCC[C@H](C)C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001201550274 1369572695 /nfs/dbraw/zinc/57/26/95/1369572695.db2.gz HXAPDIGHFATMNA-IBGZPJMESA-N 2 1 345.531 3.432 20 0 EGADMP c1cc(C[N@@H+]2CCOCC3(CC[NH+](CC4CCCC4)CC3)C2)ccn1 ZINC001202167203 1369705434 /nfs/dbraw/zinc/70/54/34/1369705434.db2.gz KXLIHKHRSTXJJW-UHFFFAOYSA-N 2 1 343.515 3.186 20 0 EGADMP CCC(CC)C[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001202757881 1369881175 /nfs/dbraw/zinc/88/11/75/1369881175.db2.gz SJBTVCQBFZFSMW-UHFFFAOYSA-N 2 1 348.535 3.413 20 0 EGADMP FC(F)(F)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC001325742763 1388038417 /nfs/dbraw/zinc/03/84/17/1388038417.db2.gz HEHRSTPBCZGZPC-QLFBSQMISA-N 2 1 343.393 3.033 20 0 EGADMP Cc1ncc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cn1 ZINC001203110209 1369986975 /nfs/dbraw/zinc/98/69/75/1369986975.db2.gz YWMSFDURLSZZRB-LJQANCHMSA-N 2 1 340.471 3.255 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC001203213924 1370027194 /nfs/dbraw/zinc/02/71/94/1370027194.db2.gz GKWOFTYEKQEUJS-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]21 ZINC001203309596 1370075421 /nfs/dbraw/zinc/07/54/21/1370075421.db2.gz XKEIVKFXMYWOJQ-HKBOAZHASA-N 2 1 338.499 3.257 20 0 EGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]21 ZINC001203309596 1370075425 /nfs/dbraw/zinc/07/54/25/1370075425.db2.gz XKEIVKFXMYWOJQ-HKBOAZHASA-N 2 1 338.499 3.257 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]21 ZINC001203309596 1370075428 /nfs/dbraw/zinc/07/54/28/1370075428.db2.gz XKEIVKFXMYWOJQ-HKBOAZHASA-N 2 1 338.499 3.257 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]21 ZINC001203309596 1370075431 /nfs/dbraw/zinc/07/54/31/1370075431.db2.gz XKEIVKFXMYWOJQ-HKBOAZHASA-N 2 1 338.499 3.257 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001114921816 1370150871 /nfs/dbraw/zinc/15/08/71/1370150871.db2.gz UCNODGXDEOLTCE-HCXYKTFWSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114921816 1370150874 /nfs/dbraw/zinc/15/08/74/1370150874.db2.gz UCNODGXDEOLTCE-HCXYKTFWSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114921816 1370150880 /nfs/dbraw/zinc/15/08/80/1370150880.db2.gz UCNODGXDEOLTCE-HCXYKTFWSA-N 2 1 349.563 3.122 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203641438 1370198060 /nfs/dbraw/zinc/19/80/60/1370198060.db2.gz QZFDXFBSZSNRGR-RBUKOAKNSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115450435 1370458391 /nfs/dbraw/zinc/45/83/91/1370458391.db2.gz APAFATZPSFPOQE-SFHVURJKSA-N 2 1 335.536 3.070 20 0 EGADMP COC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001204679833 1370544169 /nfs/dbraw/zinc/54/41/69/1370544169.db2.gz TYBYDVZIQWFXHL-OALUTQOASA-N 2 1 330.472 3.312 20 0 EGADMP COC(=O)c1cccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001204679833 1370544171 /nfs/dbraw/zinc/54/41/71/1370544171.db2.gz TYBYDVZIQWFXHL-OALUTQOASA-N 2 1 330.472 3.312 20 0 EGADMP COC(=O)c1cccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001204679833 1370544172 /nfs/dbraw/zinc/54/41/72/1370544172.db2.gz TYBYDVZIQWFXHL-OALUTQOASA-N 2 1 330.472 3.312 20 0 EGADMP COC(=O)c1cccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001204679833 1370544178 /nfs/dbraw/zinc/54/41/78/1370544178.db2.gz TYBYDVZIQWFXHL-OALUTQOASA-N 2 1 330.472 3.312 20 0 EGADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(-c2cccc(Cl)c2)o1 ZINC001204710807 1370551048 /nfs/dbraw/zinc/55/10/48/1370551048.db2.gz NNNPUAMVTVDUEP-UHFFFAOYSA-N 2 1 347.890 3.279 20 0 EGADMP Brc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cs1 ZINC001204742668 1370561641 /nfs/dbraw/zinc/56/16/41/1370561641.db2.gz QGBZTGJJYUXQPP-UHFFFAOYSA-N 2 1 329.307 3.476 20 0 EGADMP COc1cc(Cl)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(OC)c1 ZINC001204741894 1370561922 /nfs/dbraw/zinc/56/19/22/1370561922.db2.gz FCFARRFMOXLLJN-UHFFFAOYSA-N 2 1 338.879 3.323 20 0 EGADMP Oc1cc(Br)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204742122 1370562011 /nfs/dbraw/zinc/56/20/11/1370562011.db2.gz IEZANBMBMPTGAR-UHFFFAOYSA-N 2 1 339.277 3.120 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115562931 1370562858 /nfs/dbraw/zinc/56/28/58/1370562858.db2.gz MBTWTMKVNWBHSX-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP [NH3+]CC[C@@H]1C[N@H+](Cc2cccc(Oc3ccc(F)cc3)c2)CCO1 ZINC001204756604 1370567699 /nfs/dbraw/zinc/56/76/99/1370567699.db2.gz QEEFESUYORNZCB-LJQANCHMSA-N 2 1 330.403 3.168 20 0 EGADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)CCO1 ZINC001204756604 1370567704 /nfs/dbraw/zinc/56/77/04/1370567704.db2.gz QEEFESUYORNZCB-LJQANCHMSA-N 2 1 330.403 3.168 20 0 EGADMP [NH3+]CC[C@H]1C[N@H+](Cc2cccc(OCC3CCCCC3)c2)CCO1 ZINC001204756980 1370568393 /nfs/dbraw/zinc/56/83/93/1370568393.db2.gz VTIBCMGGCYHKOK-FQEVSTJZSA-N 2 1 332.488 3.195 20 0 EGADMP [NH3+]CC[C@H]1C[N@@H+](Cc2cccc(OCC3CCCCC3)c2)CCO1 ZINC001204756980 1370568396 /nfs/dbraw/zinc/56/83/96/1370568396.db2.gz VTIBCMGGCYHKOK-FQEVSTJZSA-N 2 1 332.488 3.195 20 0 EGADMP Cn1c2ccccc2c(C[N@H+]2CCO[C@H](CC[NH3+])C2)c1-c1ccccc1 ZINC001204756952 1370569253 /nfs/dbraw/zinc/56/92/53/1370569253.db2.gz UTUJSOZBMSROMZ-GOSISDBHSA-N 2 1 349.478 3.395 20 0 EGADMP Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(N3CC[NH2+]CC3)nc2)c1 ZINC001204854841 1370591489 /nfs/dbraw/zinc/59/14/89/1370591489.db2.gz SXFZHULUHLULMU-FQEVSTJZSA-N 2 1 336.483 3.137 20 0 EGADMP C[C@@H]1CN(Cc2ccc3c(c2)CC[NH2+]C3)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001204897303 1370599571 /nfs/dbraw/zinc/59/95/71/1370599571.db2.gz WKHURZGOHOYSFB-MOPGFXCFSA-N 2 1 349.522 3.427 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CC[NH2+]C3)[C@@H](C)CN1Cc1ccccc1 ZINC001204897303 1370599575 /nfs/dbraw/zinc/59/95/75/1370599575.db2.gz WKHURZGOHOYSFB-MOPGFXCFSA-N 2 1 349.522 3.427 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)[C@@H](C)CN1Cc1ccccc1 ZINC001204897303 1370599579 /nfs/dbraw/zinc/59/95/79/1370599579.db2.gz WKHURZGOHOYSFB-MOPGFXCFSA-N 2 1 349.522 3.427 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCCCC1 ZINC001115611426 1370610408 /nfs/dbraw/zinc/61/04/08/1370610408.db2.gz HWQGMJRHBSYKGX-IBGZPJMESA-N 2 1 349.563 3.482 20 0 EGADMP Oc1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(C(F)(F)F)c1 ZINC001205087273 1370647598 /nfs/dbraw/zinc/64/75/98/1370647598.db2.gz QFJWIQAEDQBGSL-UHFFFAOYSA-N 2 1 333.313 3.413 20 0 EGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(O)c(OCc3ccccc3)c2)CC1 ZINC001205123471 1370657100 /nfs/dbraw/zinc/65/71/00/1370657100.db2.gz BFKGOIKACIJVAK-GOSISDBHSA-N 2 1 326.440 3.284 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](CCCc2ccc(Cl)c(Cl)c2)CC1 ZINC001205209364 1370681123 /nfs/dbraw/zinc/68/11/23/1370681123.db2.gz IXXDCVUSIUKVBL-MRXNPFEDSA-N 2 1 331.287 3.102 20 0 EGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209137 1370681621 /nfs/dbraw/zinc/68/16/21/1370681621.db2.gz HUHYTHMINUJWEK-LAUBAEHRSA-N 2 1 332.532 3.338 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC001205220047 1370685061 /nfs/dbraw/zinc/68/50/61/1370685061.db2.gz JIXJXYZQHHUPGG-GOSISDBHSA-N 2 1 334.847 3.276 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(F)c(Oc3ccccc3)c2)CC1 ZINC001205240457 1370692141 /nfs/dbraw/zinc/69/21/41/1370692141.db2.gz KTKSZWJXWGNGDI-HXUWFJFHSA-N 2 1 344.430 3.294 20 0 EGADMP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205241990 1370693390 /nfs/dbraw/zinc/69/33/90/1370693390.db2.gz KQTDQJJPZOWHFD-IBGZPJMESA-N 2 1 337.552 3.124 20 0 EGADMP Cc1cc(Oc2ccccc2)ccc1C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205247152 1370694697 /nfs/dbraw/zinc/69/46/97/1370694697.db2.gz BSOJVOBQHPPYJB-NRFANRHFSA-N 2 1 340.467 3.463 20 0 EGADMP Cc1cc(Oc2ccccc2)ccc1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205247153 1370694706 /nfs/dbraw/zinc/69/47/06/1370694706.db2.gz BSOJVOBQHPPYJB-OAQYLSRUSA-N 2 1 340.467 3.463 20 0 EGADMP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205285287 1370706761 /nfs/dbraw/zinc/70/67/61/1370706761.db2.gz VORNEXMAGJEGQV-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115729951 1370712438 /nfs/dbraw/zinc/71/24/38/1370712438.db2.gz YWWCUJFUDOUQKX-GOSISDBHSA-N 2 1 349.563 3.460 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NCC2([NH2+]CC3CCCC3)CCCCC2)C1 ZINC001115730190 1370713040 /nfs/dbraw/zinc/71/30/40/1370713040.db2.gz FBEVTYWNZXKSRJ-UHFFFAOYSA-N 2 1 349.563 3.317 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001115730496 1370713391 /nfs/dbraw/zinc/71/33/91/1370713391.db2.gz LFHVFMCWPLCVMH-WMZOPIPTSA-N 2 1 349.563 3.029 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)nc2)C[C@H]1C[NH3+] ZINC001205304307 1370713565 /nfs/dbraw/zinc/71/35/65/1370713565.db2.gz NPKILMIRNHIARH-VQIMIIECSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C[C@H]1C[NH3+] ZINC001205304307 1370713571 /nfs/dbraw/zinc/71/35/71/1370713571.db2.gz NPKILMIRNHIARH-VQIMIIECSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccnc(OCc3ccccc3)c2)C[C@H]1C[NH3+] ZINC001205316695 1370719219 /nfs/dbraw/zinc/71/92/19/1370719219.db2.gz KHSCSXHDNWPDOE-VQIMIIECSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccnc(OCc3ccccc3)c2)C[C@H]1C[NH3+] ZINC001205316695 1370719225 /nfs/dbraw/zinc/71/92/25/1370719225.db2.gz KHSCSXHDNWPDOE-VQIMIIECSA-N 2 1 325.456 3.077 20 0 EGADMP CCCC[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001205340399 1370726674 /nfs/dbraw/zinc/72/66/74/1370726674.db2.gz YNWXTAYGVCKESL-INIZCTEOSA-N 2 1 334.508 3.025 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1 ZINC001205526191 1370781736 /nfs/dbraw/zinc/78/17/36/1370781736.db2.gz ISDGRYQEDQLWLH-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546029 1370787684 /nfs/dbraw/zinc/78/76/84/1370787684.db2.gz PEKACPJNRFNLAL-NTDBWNAOSA-N 2 1 342.499 3.143 20 0 EGADMP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546029 1370787688 /nfs/dbraw/zinc/78/76/88/1370787688.db2.gz PEKACPJNRFNLAL-NTDBWNAOSA-N 2 1 342.499 3.143 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1OCC1CC1 ZINC001205571810 1370795404 /nfs/dbraw/zinc/79/54/04/1370795404.db2.gz YGHJNJFQEIASDE-IBGZPJMESA-N 2 1 336.451 3.137 20 0 EGADMP Cc1cc(Br)sc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205582249 1370799629 /nfs/dbraw/zinc/79/96/29/1370799629.db2.gz XMSLQOOJYNRXSG-CYBMUJFWSA-N 2 1 335.286 3.472 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205618420 1370812447 /nfs/dbraw/zinc/81/24/47/1370812447.db2.gz VVJITXKONMBNDX-OXQOHEQNSA-N 2 1 340.515 3.355 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc1OC(=O)C(C)C ZINC001205627390 1370815954 /nfs/dbraw/zinc/81/59/54/1370815954.db2.gz PCBRJOCHVABUNH-NVXWUHKLSA-N 2 1 348.487 3.063 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cccnc2OCc2ccccc2)CC[C@H]1C[NH3+] ZINC001205654459 1370830405 /nfs/dbraw/zinc/83/04/05/1370830405.db2.gz WXKFSVBDIXUZSK-MJGOQNOKSA-N 2 1 339.483 3.467 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC001205674089 1370837273 /nfs/dbraw/zinc/83/72/73/1370837273.db2.gz ZAWPGQFUXOSNQI-SFHVURJKSA-N 2 1 334.847 3.276 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001205725569 1370852196 /nfs/dbraw/zinc/85/21/96/1370852196.db2.gz IOFHFGMKEARNRS-OAQYLSRUSA-N 2 1 346.515 3.321 20 0 EGADMP COc1ccc2sc(C[N@@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)cc2c1 ZINC001205788458 1370870526 /nfs/dbraw/zinc/87/05/26/1370870526.db2.gz NGAWVFPZCXNLCY-LBPRGKRZSA-N 2 1 326.412 3.326 20 0 EGADMP COc1ccc2sc(C[N@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)cc2c1 ZINC001205788458 1370870529 /nfs/dbraw/zinc/87/05/29/1370870529.db2.gz NGAWVFPZCXNLCY-LBPRGKRZSA-N 2 1 326.412 3.326 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccsc1 ZINC001116294917 1370880466 /nfs/dbraw/zinc/88/04/66/1370880466.db2.gz XHSWNLNQXMZXLY-MRXNPFEDSA-N 2 1 329.513 3.346 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205905283 1370906091 /nfs/dbraw/zinc/90/60/91/1370906091.db2.gz ZYSXVGVKWTYPEF-NWDGAFQWSA-N 2 1 332.366 3.153 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205905283 1370906095 /nfs/dbraw/zinc/90/60/95/1370906095.db2.gz ZYSXVGVKWTYPEF-NWDGAFQWSA-N 2 1 332.366 3.153 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OCc2ccccc2)nc1 ZINC001205917218 1370909997 /nfs/dbraw/zinc/90/99/97/1370909997.db2.gz XOFFIFKIEUGCEF-LPHOPBHVSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(OCc2ccccc2)nc1 ZINC001205917218 1370910001 /nfs/dbraw/zinc/91/00/01/1370910001.db2.gz XOFFIFKIEUGCEF-LPHOPBHVSA-N 2 1 325.456 3.220 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc2c1NC(C)(C)C=C2 ZINC001205924438 1370913261 /nfs/dbraw/zinc/91/32/61/1370913261.db2.gz SYWSFBCIUPKRDH-PBHICJAKSA-N 2 1 329.488 3.472 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2F)CCC[C@H]1C[NH3+] ZINC001205991385 1370932363 /nfs/dbraw/zinc/93/23/63/1370932363.db2.gz ANNCCLSKIGCYPW-NEPJUHHUSA-N 2 1 329.257 3.395 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)no2)cc1 ZINC001205996711 1370933033 /nfs/dbraw/zinc/93/30/33/1370933033.db2.gz XVZXYHLKHFYGFF-GDBMZVCRSA-N 2 1 329.444 3.157 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(Cl)c1OC ZINC001206002805 1370934198 /nfs/dbraw/zinc/93/41/98/1370934198.db2.gz BISHFQINPULXBN-CHWSQXEVSA-N 2 1 326.868 3.164 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccc(Br)nc2Cl)CCC[C@@H]1C[NH3+] ZINC001206004141 1370935234 /nfs/dbraw/zinc/93/52/34/1370935234.db2.gz QQKCRPHNLNAYRE-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(Br)nc2Cl)CCC[C@@H]1C[NH3+] ZINC001206004141 1370935236 /nfs/dbraw/zinc/93/52/36/1370935236.db2.gz QQKCRPHNLNAYRE-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(Br)c2F)CCC[C@H]1C[NH3+] ZINC001206004742 1370935649 /nfs/dbraw/zinc/93/56/49/1370935649.db2.gz UVXWSCFUDJTTOV-RYUDHWBXSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@H]1C[N@H+](Cc2cc(Cl)cnc2Br)CCC[C@@H]1C[NH3+] ZINC001206011212 1370936967 /nfs/dbraw/zinc/93/69/67/1370936967.db2.gz APXSCDZAJLLUOX-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc(Cl)cnc2Br)CCC[C@@H]1C[NH3+] ZINC001206011212 1370936969 /nfs/dbraw/zinc/93/69/69/1370936969.db2.gz APXSCDZAJLLUOX-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(O)cc2OC(F)(F)F)CCC[C@@H]1C[NH3+] ZINC001206025082 1370942662 /nfs/dbraw/zinc/94/26/62/1370942662.db2.gz MBSVAZJUZBXZMU-VXGBXAGGSA-N 2 1 332.366 3.098 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CCC[C@H]1C[NH3+] ZINC001206036697 1370944895 /nfs/dbraw/zinc/94/48/95/1370944895.db2.gz OEZPGUSNDNKDDN-NEPJUHHUSA-N 2 1 340.393 3.389 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccnc(Br)c2Cl)CCC[C@H]1C[NH3+] ZINC001206036478 1370945185 /nfs/dbraw/zinc/94/51/85/1370945185.db2.gz JYXLMMIZFVRKPX-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccnc(Br)c2Cl)CCC[C@H]1C[NH3+] ZINC001206036478 1370945188 /nfs/dbraw/zinc/94/51/88/1370945188.db2.gz JYXLMMIZFVRKPX-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)CCC[C@@H]1C[NH3+] ZINC001206036654 1370945326 /nfs/dbraw/zinc/94/53/26/1370945326.db2.gz NGMKWUZKVATPKN-FXAWDEMLSA-N 2 1 339.483 3.467 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)CCC[C@@H]1C[NH3+] ZINC001206037508 1370945803 /nfs/dbraw/zinc/94/58/03/1370945803.db2.gz VZAVZXBRRJFKAK-NXEZZACHSA-N 2 1 342.274 3.023 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1OC(F)(F)F ZINC001206037368 1370945862 /nfs/dbraw/zinc/94/58/62/1370945862.db2.gz VEAJHXABDNJPMV-TZMCWYRMSA-N 2 1 346.393 3.401 20 0 EGADMP Cn1cnc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC001206248807 1371003392 /nfs/dbraw/zinc/00/33/92/1371003392.db2.gz COYKOLMSJRNVAM-UHFFFAOYSA-N 2 1 338.499 3.298 20 0 EGADMP CCC/C=C/CC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001206275473 1371009726 /nfs/dbraw/zinc/00/97/26/1371009726.db2.gz SYCDDLBNIUBBTM-QWNKOJSDSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(O)ccc2Br)CC1 ZINC001206303044 1371015848 /nfs/dbraw/zinc/01/58/48/1371015848.db2.gz AOIIYDMYLLYDHT-HNNXBMFYSA-N 2 1 327.266 3.106 20 0 EGADMP Cc1ncc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1Br ZINC001206324399 1371022329 /nfs/dbraw/zinc/02/23/29/1371022329.db2.gz AMRAVCGORXXIHH-HNNXBMFYSA-N 2 1 326.282 3.103 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)CC[NH2+]1 ZINC001326077769 1388109981 /nfs/dbraw/zinc/10/99/81/1388109981.db2.gz YXRRQMXFHHWASV-MWLCHTKSSA-N 2 1 336.329 3.120 20 0 EGADMP COc1c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc(C(C)(C)C)cc1C(C)(C)C ZINC001206525385 1371082917 /nfs/dbraw/zinc/08/29/17/1371082917.db2.gz PAWPHFDGQDAWDP-YJBOKZPZSA-N 2 1 348.531 3.042 20 0 EGADMP COc1c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc(C(C)(C)C)cc1C(C)(C)C ZINC001206525385 1371082920 /nfs/dbraw/zinc/08/29/20/1371082920.db2.gz PAWPHFDGQDAWDP-YJBOKZPZSA-N 2 1 348.531 3.042 20 0 EGADMP CC(C)(C)C(=O)Nc1cnccc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206550155 1371091072 /nfs/dbraw/zinc/09/10/72/1371091072.db2.gz WOPFMQVYYMBHFM-IBGZPJMESA-N 2 1 332.492 3.017 20 0 EGADMP CC(C)(C)C(=O)Nc1cnccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206550155 1371091075 /nfs/dbraw/zinc/09/10/75/1371091075.db2.gz WOPFMQVYYMBHFM-IBGZPJMESA-N 2 1 332.492 3.017 20 0 EGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(O)c(OC(F)(F)F)c2)C1 ZINC001206573884 1371097283 /nfs/dbraw/zinc/09/72/83/1371097283.db2.gz OQWNHQXZIZOQRQ-OAHLLOKOSA-N 2 1 332.366 3.242 20 0 EGADMP COc1cc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc2c1OCC=C2 ZINC001206606522 1371107274 /nfs/dbraw/zinc/10/72/74/1371107274.db2.gz NZWWZJPCUALUFO-SFHVURJKSA-N 2 1 330.472 3.453 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]C/C=C\Cl)CC1 ZINC001206621946 1371110730 /nfs/dbraw/zinc/11/07/30/1371110730.db2.gz NWPUMABYZLEOSM-YFHOEESVSA-N 2 1 343.943 3.079 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2nccnc2-c2ccc(Cl)cc2)C1 ZINC001206622516 1371111667 /nfs/dbraw/zinc/11/16/67/1371111667.db2.gz DQFAHSJEMNAQEQ-AWEZNQCLSA-N 2 1 330.863 3.358 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001206624322 1371111702 /nfs/dbraw/zinc/11/17/02/1371111702.db2.gz UQUNAAXXILPKRV-OAHLLOKOSA-N 2 1 330.863 3.358 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c2c(OC)cccc12 ZINC001206767738 1371158200 /nfs/dbraw/zinc/15/82/00/1371158200.db2.gz DXAOGIIGECRYPS-CABCVRRESA-N 2 1 328.456 3.416 20 0 EGADMP CC(C)C[NH2+]CC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC001118286189 1371158501 /nfs/dbraw/zinc/15/85/01/1371158501.db2.gz BDJPKJJQJALNCO-UHFFFAOYSA-N 2 1 328.460 3.239 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)ccc1OC(=O)C(C)C ZINC001206769718 1371159449 /nfs/dbraw/zinc/15/94/49/1371159449.db2.gz PRKFOKFWEOVMKU-RDJZCZTQSA-N 2 1 348.487 3.206 20 0 EGADMP Cc1[nH+]cc(CN([C@H](C)c2ccccc2)[C@@H]2C[NH+]3CCC2CC3)n1C ZINC001206796117 1371169349 /nfs/dbraw/zinc/16/93/49/1371169349.db2.gz RKZVKQZNCHBPPP-IIBYNOLFSA-N 2 1 338.499 3.386 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001206794078 1371169557 /nfs/dbraw/zinc/16/95/57/1371169557.db2.gz HZHRDJWJEXYLOG-SFHVURJKSA-N 2 1 345.531 3.226 20 0 EGADMP CC[N@H+](Cc1ccccc1)C1CCN(Cc2c[nH+]c(C)n2C)CC1 ZINC001206794299 1371169915 /nfs/dbraw/zinc/16/99/15/1371169915.db2.gz NPLMTRCOQHZVKQ-UHFFFAOYSA-N 2 1 326.488 3.215 20 0 EGADMP CC[N@@H+](Cc1ccccc1)C1CCN(Cc2c[nH+]c(C)n2C)CC1 ZINC001206794299 1371169918 /nfs/dbraw/zinc/16/99/18/1371169918.db2.gz NPLMTRCOQHZVKQ-UHFFFAOYSA-N 2 1 326.488 3.215 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]CCC3CCCCCC3)CC2)C1 ZINC001206928601 1371230058 /nfs/dbraw/zinc/23/00/58/1371230058.db2.gz BMWZXQAYKJSZMP-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP CCc1nccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)n1 ZINC001207088491 1371289993 /nfs/dbraw/zinc/28/99/93/1371289993.db2.gz WGKVBWWUQIWABP-UHFFFAOYSA-N 2 1 340.471 3.120 20 0 EGADMP C[NH+](C)CC(C)(C)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001207283354 1371350904 /nfs/dbraw/zinc/35/09/04/1371350904.db2.gz XFZVITOPUDMTAI-NRFANRHFSA-N 2 1 329.532 3.172 20 0 EGADMP CCC[N@@H+](CC(C)(C)C[NH+](C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207289139 1371352476 /nfs/dbraw/zinc/35/24/76/1371352476.db2.gz ZVADYARQKUCOAZ-INIZCTEOSA-N 2 1 341.540 3.296 20 0 EGADMP c1ccc(C[NH+]2CCC(CN3CCC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC001207291731 1371352724 /nfs/dbraw/zinc/35/27/24/1371352724.db2.gz WETKBQVXTBHHCF-OAQYLSRUSA-N 2 1 327.516 3.069 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001207336935 1371364869 /nfs/dbraw/zinc/36/48/69/1371364869.db2.gz MVJKFJQCKFSWFC-NCPJDUFYSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001207336935 1371364872 /nfs/dbraw/zinc/36/48/72/1371364872.db2.gz MVJKFJQCKFSWFC-NCPJDUFYSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001207336935 1371364879 /nfs/dbraw/zinc/36/48/79/1371364879.db2.gz MVJKFJQCKFSWFC-NCPJDUFYSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C[C@H]3CCOC(C)(C)C3)C2)C1 ZINC001207354321 1371370984 /nfs/dbraw/zinc/37/09/84/1371370984.db2.gz LMRJHUOXILCTCE-AZUAARDMSA-N 2 1 338.536 3.014 20 0 EGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C[C@H]3CCOC(C)(C)C3)C2)C1 ZINC001207354321 1371370988 /nfs/dbraw/zinc/37/09/88/1371370988.db2.gz LMRJHUOXILCTCE-AZUAARDMSA-N 2 1 338.536 3.014 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C[C@H]3CCOC(C)(C)C3)C2)C1 ZINC001207354321 1371370993 /nfs/dbraw/zinc/37/09/93/1371370993.db2.gz LMRJHUOXILCTCE-AZUAARDMSA-N 2 1 338.536 3.014 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C[C@H]3CCOC(C)(C)C3)C2)C1 ZINC001207354321 1371370995 /nfs/dbraw/zinc/37/09/95/1371370995.db2.gz LMRJHUOXILCTCE-AZUAARDMSA-N 2 1 338.536 3.014 20 0 EGADMP c1nc(CC[NH2+]C2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)cs1 ZINC001119624331 1371377552 /nfs/dbraw/zinc/37/75/52/1371377552.db2.gz LFRCDZGYMWTFGZ-JJTKIYQPSA-N 2 1 327.497 3.186 20 0 EGADMP C[NH+]1CCC(C[N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)CC1 ZINC001207399200 1371383883 /nfs/dbraw/zinc/38/38/83/1371383883.db2.gz HTOKQAUWPFQMLJ-BZSNNMDCSA-N 2 1 336.520 3.303 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CN2CCC1CC2 ZINC001207441028 1371396434 /nfs/dbraw/zinc/39/64/34/1371396434.db2.gz OWCNTVJNPISNRX-DYESRHJHSA-N 2 1 327.516 3.143 20 0 EGADMP COc1ccccc1CC[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001207454398 1371399664 /nfs/dbraw/zinc/39/96/64/1371399664.db2.gz JUELZZZAPVLLFL-ROUUACIJSA-N 2 1 342.508 3.363 20 0 EGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]21 ZINC001207467677 1371404000 /nfs/dbraw/zinc/40/40/00/1371404000.db2.gz HHDFYZSZVKBYJG-IZZBFERCSA-N 2 1 343.515 3.041 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CCCOC3)C[C@@H]21 ZINC001207467677 1371404003 /nfs/dbraw/zinc/40/40/03/1371404003.db2.gz HHDFYZSZVKBYJG-IZZBFERCSA-N 2 1 343.515 3.041 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CCCOC3)C[C@@H]21 ZINC001207467677 1371404007 /nfs/dbraw/zinc/40/40/07/1371404007.db2.gz HHDFYZSZVKBYJG-IZZBFERCSA-N 2 1 343.515 3.041 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]21 ZINC001207467677 1371404009 /nfs/dbraw/zinc/40/40/09/1371404009.db2.gz HHDFYZSZVKBYJG-IZZBFERCSA-N 2 1 343.515 3.041 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]21 ZINC001207467677 1371404014 /nfs/dbraw/zinc/40/40/14/1371404014.db2.gz HHDFYZSZVKBYJG-IZZBFERCSA-N 2 1 343.515 3.041 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)[C@@H](c2ccccc2)C1 ZINC001207486773 1371410378 /nfs/dbraw/zinc/41/03/78/1371410378.db2.gz CPNCHGDORMETOH-VQTJNVASSA-N 2 1 344.499 3.345 20 0 EGADMP COC1CC[NH+](C2CC[NH+](CCCc3ccccc3F)CC2)CC1 ZINC001207496676 1371415200 /nfs/dbraw/zinc/41/52/00/1371415200.db2.gz RLHYDUKNYJBKEB-UHFFFAOYSA-N 2 1 334.479 3.334 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3N3CCCC3)C[C@H]2C1 ZINC001119987918 1371442995 /nfs/dbraw/zinc/44/29/95/1371442995.db2.gz CNMALJMTWYPXEU-DFQSSKMNSA-N 2 1 327.516 3.449 20 0 EGADMP c1cn(Cc2nnn3c2C[N@@H+](CCCC2CCCCC2)CCC3)cn1 ZINC001207607134 1371450583 /nfs/dbraw/zinc/45/05/83/1371450583.db2.gz HXCIODQPNLHJEQ-UHFFFAOYSA-N 2 1 342.491 3.089 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001120046208 1371468105 /nfs/dbraw/zinc/46/81/05/1371468105.db2.gz QZEVYAMZGHIHHK-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP CC1CCC(N(C(=O)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)C2CC2)CC1 ZINC001326277123 1388140659 /nfs/dbraw/zinc/14/06/59/1388140659.db2.gz JIAWMPVFQPVRRM-UHFFFAOYSA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001120207841 1371504212 /nfs/dbraw/zinc/50/42/12/1371504212.db2.gz IOHRQFPVSHERPS-LJQANCHMSA-N 2 1 349.563 3.460 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207790711 1371505193 /nfs/dbraw/zinc/50/51/93/1371505193.db2.gz XEQLKJFDDNMIEO-SJLPKXTDSA-N 2 1 335.536 3.042 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001207790711 1371505196 /nfs/dbraw/zinc/50/51/96/1371505196.db2.gz XEQLKJFDDNMIEO-SJLPKXTDSA-N 2 1 335.536 3.042 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001207790711 1371505202 /nfs/dbraw/zinc/50/52/02/1371505202.db2.gz XEQLKJFDDNMIEO-SJLPKXTDSA-N 2 1 335.536 3.042 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CCCCC1 ZINC001120212796 1371505845 /nfs/dbraw/zinc/50/58/45/1371505845.db2.gz AUFPSNPLSQDHAN-LJQANCHMSA-N 2 1 345.531 3.498 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)CC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001207818265 1371512726 /nfs/dbraw/zinc/51/27/26/1371512726.db2.gz NUDVIRXDXCYRKW-UHFFFAOYSA-N 2 1 341.540 3.297 20 0 EGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]21 ZINC001207956563 1371550412 /nfs/dbraw/zinc/55/04/12/1371550412.db2.gz ANAZFHGBRXKWHB-AYWYSENESA-N 2 1 343.515 3.183 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CCCCO3)C[C@@H]21 ZINC001207956563 1371550414 /nfs/dbraw/zinc/55/04/14/1371550414.db2.gz ANAZFHGBRXKWHB-AYWYSENESA-N 2 1 343.515 3.183 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CCCCO3)C[C@@H]21 ZINC001207956563 1371550418 /nfs/dbraw/zinc/55/04/18/1371550418.db2.gz ANAZFHGBRXKWHB-AYWYSENESA-N 2 1 343.515 3.183 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]21 ZINC001207956563 1371550420 /nfs/dbraw/zinc/55/04/20/1371550420.db2.gz ANAZFHGBRXKWHB-AYWYSENESA-N 2 1 343.515 3.183 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]21 ZINC001207956563 1371550424 /nfs/dbraw/zinc/55/04/24/1371550424.db2.gz ANAZFHGBRXKWHB-AYWYSENESA-N 2 1 343.515 3.183 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@@H]4CCCCO4)CC[C@H]3C2)cc1 ZINC001207963314 1371552739 /nfs/dbraw/zinc/55/27/39/1371552739.db2.gz FVCLGXMKDAOHPN-HBMCJLEFSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCCO4)CC[C@H]3C2)cc1 ZINC001207963314 1371552742 /nfs/dbraw/zinc/55/27/42/1371552742.db2.gz FVCLGXMKDAOHPN-HBMCJLEFSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCCO4)CC[C@H]3C2)cc1 ZINC001207963314 1371552745 /nfs/dbraw/zinc/55/27/45/1371552745.db2.gz FVCLGXMKDAOHPN-HBMCJLEFSA-N 2 1 328.500 3.400 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CCC2CC2)C1 ZINC001120403198 1371563610 /nfs/dbraw/zinc/56/36/10/1371563610.db2.gz WISDPPQDFGZIIX-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CCC2CC2)C1 ZINC001120403198 1371563617 /nfs/dbraw/zinc/56/36/17/1371563617.db2.gz WISDPPQDFGZIIX-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CCC2CC2)C1 ZINC001120403198 1371563631 /nfs/dbraw/zinc/56/36/31/1371563631.db2.gz WISDPPQDFGZIIX-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208015058 1371569830 /nfs/dbraw/zinc/56/98/30/1371569830.db2.gz XBARVMGCEFTKAP-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208049740 1371580232 /nfs/dbraw/zinc/58/02/32/1371580232.db2.gz QMMJIQYQKZQLFO-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001120450339 1371581605 /nfs/dbraw/zinc/58/16/05/1371581605.db2.gz VEBGYLNEQPPGMR-KJYWSYJISA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120450339 1371581608 /nfs/dbraw/zinc/58/16/08/1371581608.db2.gz VEBGYLNEQPPGMR-KJYWSYJISA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120450339 1371581611 /nfs/dbraw/zinc/58/16/11/1371581611.db2.gz VEBGYLNEQPPGMR-KJYWSYJISA-N 2 1 349.563 3.388 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC2CCC2)C1 ZINC001120450553 1371581728 /nfs/dbraw/zinc/58/17/28/1371581728.db2.gz WMURKAHAKGEHOD-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH+]2CC2CCC2)C1 ZINC001120449698 1371581735 /nfs/dbraw/zinc/58/17/35/1371581735.db2.gz OZMXJCUVSPXGMO-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC2CCC2)C1 ZINC001120449698 1371581737 /nfs/dbraw/zinc/58/17/37/1371581737.db2.gz OZMXJCUVSPXGMO-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC2CCC2)C1 ZINC001120449698 1371581744 /nfs/dbraw/zinc/58/17/44/1371581744.db2.gz OZMXJCUVSPXGMO-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CC2CCCC2)C1 ZINC001120469610 1371587770 /nfs/dbraw/zinc/58/77/70/1371587770.db2.gz LDAIZCMNZURLIB-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC2CCCC2)C1 ZINC001120469610 1371587778 /nfs/dbraw/zinc/58/77/78/1371587778.db2.gz LDAIZCMNZURLIB-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC2CCCC2)C1 ZINC001120469610 1371587781 /nfs/dbraw/zinc/58/77/81/1371587781.db2.gz LDAIZCMNZURLIB-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208114182 1371599930 /nfs/dbraw/zinc/59/99/30/1371599930.db2.gz TVAYGWLJYRNDTM-CVEARBPZSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+](C)CC1(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC001208188152 1371627924 /nfs/dbraw/zinc/62/79/24/1371627924.db2.gz UHSNWQBTCUTSTI-SFTDATJTSA-N 2 1 341.543 3.315 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208330689 1371720184 /nfs/dbraw/zinc/72/01/84/1371720184.db2.gz COEXHLHNEXKTIX-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001208358699 1371733223 /nfs/dbraw/zinc/73/32/23/1371733223.db2.gz LZEONEUNWVTETH-YSKLNCTFSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208474735 1371781295 /nfs/dbraw/zinc/78/12/95/1371781295.db2.gz OXNITVMSEHHNHP-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC001208589806 1371830037 /nfs/dbraw/zinc/83/00/37/1371830037.db2.gz YWXJRVTYQBEFSO-LEWJYISDSA-N 2 1 327.516 3.211 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001208592477 1371831319 /nfs/dbraw/zinc/83/13/19/1371831319.db2.gz JAXIELNCVFMDLR-KRWDZBQOSA-N 2 1 339.524 3.098 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](Oc3cccc(OC)c3)C2)CC1 ZINC001208598936 1371834846 /nfs/dbraw/zinc/83/48/46/1371834846.db2.gz BGRQZOMOTBNING-HXUWFJFHSA-N 2 1 332.488 3.270 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001208602160 1371835984 /nfs/dbraw/zinc/83/59/84/1371835984.db2.gz ZKYFXDNQKYRHAB-UHFFFAOYSA-N 3 1 341.543 3.241 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001208602160 1371835987 /nfs/dbraw/zinc/83/59/87/1371835987.db2.gz ZKYFXDNQKYRHAB-UHFFFAOYSA-N 2 1 341.543 3.241 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](C(=O)OC)C[C@@H]2c2ccccc2)CC1 ZINC001208602844 1371836250 /nfs/dbraw/zinc/83/62/50/1371836250.db2.gz OYZGDMCCOXJTHL-VQTJNVASSA-N 2 1 344.499 3.345 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)C[C@H]1CCC[NH+](C)C1 ZINC001208607307 1371838230 /nfs/dbraw/zinc/83/82/30/1371838230.db2.gz LJSPOJFQJXGKOT-SESVDKBCSA-N 2 1 329.532 3.171 20 0 EGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC001208607307 1371838234 /nfs/dbraw/zinc/83/82/34/1371838234.db2.gz LJSPOJFQJXGKOT-SESVDKBCSA-N 2 1 329.532 3.171 20 0 EGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC001208607307 1371838240 /nfs/dbraw/zinc/83/82/40/1371838240.db2.gz LJSPOJFQJXGKOT-SESVDKBCSA-N 2 1 329.532 3.171 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(c3nnc(-c4ccccc4)o3)CC2)C1 ZINC001208606264 1371838338 /nfs/dbraw/zinc/83/83/38/1371838338.db2.gz DPHMAYXGGHSASW-INIZCTEOSA-N 2 1 340.471 3.258 20 0 EGADMP CC[N@@H+](Cc1ccccc1)C1CCN(C[C@H]2CCC[NH+](C)C2)CC1 ZINC001208608661 1371838728 /nfs/dbraw/zinc/83/87/28/1371838728.db2.gz RCRSHMKCPHAMRE-FQEVSTJZSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+](Cc1ccccc1)C1CCN(C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208608661 1371838731 /nfs/dbraw/zinc/83/87/31/1371838731.db2.gz RCRSHMKCPHAMRE-FQEVSTJZSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+](Cc1ccccc1)C1CCN(C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208608661 1371838732 /nfs/dbraw/zinc/83/87/32/1371838732.db2.gz RCRSHMKCPHAMRE-FQEVSTJZSA-N 2 1 329.532 3.315 20 0 EGADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001208615828 1371841767 /nfs/dbraw/zinc/84/17/67/1371841767.db2.gz IIPXZYLBIWXCRO-GVDBMIGSSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001208615828 1371841772 /nfs/dbraw/zinc/84/17/72/1371841772.db2.gz IIPXZYLBIWXCRO-GVDBMIGSSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001208615828 1371841777 /nfs/dbraw/zinc/84/17/77/1371841777.db2.gz IIPXZYLBIWXCRO-GVDBMIGSSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001208615828 1371841780 /nfs/dbraw/zinc/84/17/80/1371841780.db2.gz IIPXZYLBIWXCRO-GVDBMIGSSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@H+]1CCC[C@H](CN2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001208617246 1371843593 /nfs/dbraw/zinc/84/35/93/1371843593.db2.gz OAXKXMTZIMCHKD-XBJCXQGOSA-N 2 1 343.559 3.223 20 0 EGADMP C[NH+]1CCC[C@H](CN2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001208617246 1371843596 /nfs/dbraw/zinc/84/35/96/1371843596.db2.gz OAXKXMTZIMCHKD-XBJCXQGOSA-N 2 1 343.559 3.223 20 0 EGADMP C[NH+]1CCC[C@H](CN2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001208617246 1371843599 /nfs/dbraw/zinc/84/35/99/1371843599.db2.gz OAXKXMTZIMCHKD-XBJCXQGOSA-N 2 1 343.559 3.223 20 0 EGADMP CCC[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208618801 1371844931 /nfs/dbraw/zinc/84/49/31/1371844931.db2.gz SBRZCMFTDLAXHZ-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP CCC[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208618801 1371844937 /nfs/dbraw/zinc/84/49/37/1371844937.db2.gz SBRZCMFTDLAXHZ-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP CCC[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208618801 1371844941 /nfs/dbraw/zinc/84/49/41/1371844941.db2.gz SBRZCMFTDLAXHZ-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP CCC[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208618801 1371844946 /nfs/dbraw/zinc/84/49/46/1371844946.db2.gz SBRZCMFTDLAXHZ-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CCCC(C)C)C3)CC[N@H+]1C ZINC001121134197 1371862852 /nfs/dbraw/zinc/86/28/52/1371862852.db2.gz XQJJOGDZKDRPHN-JSMKSKOISA-N 2 1 349.563 3.170 20 0 EGADMP COC(=O)[C@@H](C)C[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001208722860 1371874032 /nfs/dbraw/zinc/87/40/32/1371874032.db2.gz KVBQFORVXSTZHA-AWEZNQCLSA-N 2 1 338.879 3.045 20 0 EGADMP COC(=O)[C@@H](C)C[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001208722860 1371874035 /nfs/dbraw/zinc/87/40/35/1371874035.db2.gz KVBQFORVXSTZHA-AWEZNQCLSA-N 2 1 338.879 3.045 20 0 EGADMP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001121193381 1371885273 /nfs/dbraw/zinc/88/52/73/1371885273.db2.gz BADVZCDBEXAAHZ-FCOWATRHSA-N 2 1 349.563 3.458 20 0 EGADMP COC1CC[NH+](C2CC[NH+](CCCc3ccc(F)cc3)CC2)CC1 ZINC001208776003 1371893014 /nfs/dbraw/zinc/89/30/14/1371893014.db2.gz XQFJQCJJQUJDBL-UHFFFAOYSA-N 2 1 334.479 3.334 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN3CCC([NH+]4CCCC4)CC3)C2)cc1 ZINC001208946772 1371959431 /nfs/dbraw/zinc/95/94/31/1371959431.db2.gz ILSJSXHXHUQPBW-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP COC[C@@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208948051 1371959605 /nfs/dbraw/zinc/95/96/05/1371959605.db2.gz WOIOCFRAUOWQEI-NJYVYQBISA-N 2 1 328.500 3.257 20 0 EGADMP COC[C@@]12CCC[C@@H]1C[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208948051 1371959607 /nfs/dbraw/zinc/95/96/07/1371959607.db2.gz WOIOCFRAUOWQEI-NJYVYQBISA-N 2 1 328.500 3.257 20 0 EGADMP COC[C@@]12CCC[C@@H]1C[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208948051 1371959609 /nfs/dbraw/zinc/95/96/09/1371959609.db2.gz WOIOCFRAUOWQEI-NJYVYQBISA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](CN3CCC[C@@H]3C[NH+]3CCCC3)C2)cc1 ZINC001208950108 1371960828 /nfs/dbraw/zinc/96/08/28/1371960828.db2.gz PSGQATOHADXUTH-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN3CC[NH+](CC4CCCC4)CC3)C2)cc1 ZINC001208948767 1371961170 /nfs/dbraw/zinc/96/11/70/1371961170.db2.gz IECAFTNRTREZMX-JOCHJYFZSA-N 2 1 341.543 3.316 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209006721 1371972731 /nfs/dbraw/zinc/97/27/31/1371972731.db2.gz HLOZOKDPRVNBJN-KZNAEPCWSA-N 2 1 348.535 3.125 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209006721 1371972734 /nfs/dbraw/zinc/97/27/34/1371972734.db2.gz HLOZOKDPRVNBJN-KZNAEPCWSA-N 2 1 348.535 3.125 20 0 EGADMP CCOC(C)(C)C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209075874 1371991153 /nfs/dbraw/zinc/99/11/53/1371991153.db2.gz XUEIDBARLSZDTG-IHPCNDPISA-N 2 1 345.531 3.429 20 0 EGADMP CCOC(C)(C)C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209075874 1371991155 /nfs/dbraw/zinc/99/11/55/1371991155.db2.gz XUEIDBARLSZDTG-IHPCNDPISA-N 2 1 345.531 3.429 20 0 EGADMP CCOC(C)(C)C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209075874 1371991156 /nfs/dbraw/zinc/99/11/56/1371991156.db2.gz XUEIDBARLSZDTG-IHPCNDPISA-N 2 1 345.531 3.429 20 0 EGADMP CCOC(C)(C)C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209075874 1371991158 /nfs/dbraw/zinc/99/11/58/1371991158.db2.gz XUEIDBARLSZDTG-IHPCNDPISA-N 2 1 345.531 3.429 20 0 EGADMP COCC[N@@H+](CCc1ccc(F)cc1Cl)C1CCN(C)CC1 ZINC001209113322 1372002047 /nfs/dbraw/zinc/00/20/47/1372002047.db2.gz QXESOXAGHFOPLS-UHFFFAOYSA-N 2 1 328.859 3.064 20 0 EGADMP c1csc(C[NH+]2C[C@@H]3C[NH+](CCCc4ccncc4)C[C@H]3C2)c1 ZINC001209184238 1372029449 /nfs/dbraw/zinc/02/94/49/1372029449.db2.gz JKGGEUJSIWQHJN-ROUUACIJSA-N 2 1 327.497 3.140 20 0 EGADMP CC(C)(C)OC(=O)NCCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001209360944 1372078027 /nfs/dbraw/zinc/07/80/27/1372078027.db2.gz MGHSPDOIZYWCIU-UHFFFAOYSA-N 2 1 339.524 3.242 20 0 EGADMP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001121779015 1372078753 /nfs/dbraw/zinc/07/87/53/1372078753.db2.gz IXVHORKTTDQBBV-UHFFFAOYSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@H]1CC(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C[C@H](C)O1 ZINC001209405665 1372095447 /nfs/dbraw/zinc/09/54/47/1372095447.db2.gz YOXAFBWYMJXNIR-IDPBPBMLSA-N 2 1 328.500 3.254 20 0 EGADMP C[C@H]1CC(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H](C)O1 ZINC001209405665 1372095451 /nfs/dbraw/zinc/09/54/51/1372095451.db2.gz YOXAFBWYMJXNIR-IDPBPBMLSA-N 2 1 328.500 3.254 20 0 EGADMP C[C@H]1CC(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H](C)O1 ZINC001209405665 1372095457 /nfs/dbraw/zinc/09/54/57/1372095457.db2.gz YOXAFBWYMJXNIR-IDPBPBMLSA-N 2 1 328.500 3.254 20 0 EGADMP CC[C@H](C[N@@H+](C)CC1CC[NH+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001209458993 1372111609 /nfs/dbraw/zinc/11/16/09/1372111609.db2.gz SCOIWBZZLGAYTO-QGZVFWFLSA-N 2 1 341.540 3.342 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CCCC1CCC1)C2 ZINC001122100920 1372174389 /nfs/dbraw/zinc/17/43/89/1372174389.db2.gz GGMXMTNDMWQWDO-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP Nc1ccncc1C[N@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001209729761 1372178360 /nfs/dbraw/zinc/17/83/60/1372178360.db2.gz AWEFEHOLGRGMLB-LEWJYISDSA-N 2 1 337.467 3.106 20 0 EGADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001209729761 1372178367 /nfs/dbraw/zinc/17/83/67/1372178367.db2.gz AWEFEHOLGRGMLB-LEWJYISDSA-N 2 1 337.467 3.106 20 0 EGADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001209729761 1372178371 /nfs/dbraw/zinc/17/83/71/1372178371.db2.gz AWEFEHOLGRGMLB-LEWJYISDSA-N 2 1 337.467 3.106 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001122231805 1372207734 /nfs/dbraw/zinc/20/77/34/1372207734.db2.gz YOXCVRRYEFBXHZ-RUEDAHMLSA-N 2 1 335.536 3.066 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210213870 1372295142 /nfs/dbraw/zinc/29/51/42/1372295142.db2.gz PDVKPTNXEMYMND-YFVAEKQCSA-N 2 1 345.531 3.090 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210213870 1372295147 /nfs/dbraw/zinc/29/51/47/1372295147.db2.gz PDVKPTNXEMYMND-YFVAEKQCSA-N 2 1 345.531 3.090 20 0 EGADMP Clc1ncc2ccccc2c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210262843 1372308671 /nfs/dbraw/zinc/30/86/71/1372308671.db2.gz RVEXVTGBFWVRRY-UHFFFAOYSA-N 2 1 339.830 3.436 20 0 EGADMP C[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)C1CCN(Cc2ccccc2)CC1 ZINC001210542879 1372374978 /nfs/dbraw/zinc/37/49/78/1372374978.db2.gz CGMCUZIFEPJKNA-UHFFFAOYSA-N 2 1 349.522 3.429 20 0 EGADMP CN(Cc1ccc2c(c1)CC[NH2+]C2)C1CC[NH+](Cc2ccccc2)CC1 ZINC001210542879 1372374981 /nfs/dbraw/zinc/37/49/81/1372374981.db2.gz CGMCUZIFEPJKNA-UHFFFAOYSA-N 2 1 349.522 3.429 20 0 EGADMP CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210642711 1372398151 /nfs/dbraw/zinc/39/81/51/1372398151.db2.gz GKPITVAKBLZYLC-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001210772894 1372424486 /nfs/dbraw/zinc/42/44/86/1372424486.db2.gz DGUULDUDLLBWIL-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001210796746 1372428023 /nfs/dbraw/zinc/42/80/23/1372428023.db2.gz JIPVYKPSGJHUEB-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001210797522 1372428166 /nfs/dbraw/zinc/42/81/66/1372428166.db2.gz UCTVCAYWCNXOGN-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1)c1ccccc1 ZINC001211269254 1372517530 /nfs/dbraw/zinc/51/75/30/1372517530.db2.gz OBNNVXJYMNNLHX-MOPGFXCFSA-N 2 1 349.494 3.010 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001211284105 1372520497 /nfs/dbraw/zinc/52/04/97/1372520497.db2.gz IYKLVKNHJVFDMG-RTBURBONSA-N 2 1 345.531 3.285 20 0 EGADMP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1)c1ccccc1 ZINC001211285619 1372520611 /nfs/dbraw/zinc/52/06/11/1372520611.db2.gz QDNUAGJEZITTHV-RTBURBONSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1)c1ccccc1 ZINC001211285618 1372520657 /nfs/dbraw/zinc/52/06/57/1372520657.db2.gz QDNUAGJEZITTHV-RBUKOAKNSA-N 2 1 331.504 3.059 20 0 EGADMP CC(C)c1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001211369699 1372541069 /nfs/dbraw/zinc/54/10/69/1372541069.db2.gz NYEMXFSEZATJGL-YLJYHZDGSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001211369699 1372541071 /nfs/dbraw/zinc/54/10/71/1372541071.db2.gz NYEMXFSEZATJGL-YLJYHZDGSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)c1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001211369699 1372541075 /nfs/dbraw/zinc/54/10/75/1372541075.db2.gz NYEMXFSEZATJGL-YLJYHZDGSA-N 2 1 345.531 3.087 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001211366633 1372541772 /nfs/dbraw/zinc/54/17/72/1372541772.db2.gz HJXALKAGKLSAIC-KURKYZTESA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001211366633 1372541777 /nfs/dbraw/zinc/54/17/77/1372541777.db2.gz HJXALKAGKLSAIC-KURKYZTESA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001211366633 1372541782 /nfs/dbraw/zinc/54/17/82/1372541782.db2.gz HJXALKAGKLSAIC-KURKYZTESA-N 2 1 337.552 3.124 20 0 EGADMP Cc1c(F)cc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)cc1F ZINC001212144683 1372663681 /nfs/dbraw/zinc/66/36/81/1372663681.db2.gz AVAYKMFBYDAJAI-HNNXBMFYSA-N 2 1 338.402 3.491 20 0 EGADMP CN1CCN(c2cc[nH+]cc2Nc2cc[nH+]c(C(C)(C)C)c2)CC1 ZINC001213164674 1372851550 /nfs/dbraw/zinc/85/15/50/1372851550.db2.gz XISXVNSIIBXYMD-UHFFFAOYSA-N 2 1 325.460 3.270 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001326520147 1388227399 /nfs/dbraw/zinc/22/73/99/1388227399.db2.gz WRZNGLMQXZCEQH-IRXDYDNUSA-N 2 1 348.560 3.263 20 0 EGADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636982 1373094369 /nfs/dbraw/zinc/09/43/69/1373094369.db2.gz ZJEHZHJOERQKDE-WSTZPKSXSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC001127344136 1373117570 /nfs/dbraw/zinc/11/75/70/1373117570.db2.gz GKRCCOBUDGDRET-MJGOQNOKSA-N 2 1 343.515 3.108 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001214780085 1373118018 /nfs/dbraw/zinc/11/80/18/1373118018.db2.gz KAJBUZMESHAEBS-KURKYZTESA-N 2 1 337.552 3.124 20 0 EGADMP O=C(NCC[NH2+]CC1CCCCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356834 1373118891 /nfs/dbraw/zinc/11/88/91/1373118891.db2.gz OUIWGJBGQGKLIP-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001214999878 1373154094 /nfs/dbraw/zinc/15/40/94/1373154094.db2.gz QVMJLGIXFAMADC-ZHALLVOQSA-N 2 1 345.531 3.223 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001188145940 1388249961 /nfs/dbraw/zinc/24/99/61/1388249961.db2.gz RXZOOWHWSUXZTN-GLCUZYPYSA-N 2 1 343.515 3.226 20 0 EGADMP [NH3+][C@@H](CC1CC[NH2+]CC1)c1nnc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001217726204 1373495686 /nfs/dbraw/zinc/49/56/86/1373495686.db2.gz XTSBZLAEPYSOIP-ZDUSSCGKSA-N 2 1 340.349 3.145 20 0 EGADMP CC1(C)[NH2+][C@@H](CO[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC001217847162 1373506760 /nfs/dbraw/zinc/50/67/60/1373506760.db2.gz DSJQITVKHGEAID-ROUUACIJSA-N 2 1 332.488 3.028 20 0 EGADMP C[N@H+]1CCc2cc(Cl)c(OC3C[NH2+]C3)cc2[C@@H](c2ccccc2)C1 ZINC001218053195 1373548346 /nfs/dbraw/zinc/54/83/46/1373548346.db2.gz SXJKDJQOTUXBJM-GOSISDBHSA-N 2 1 342.870 3.310 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001221933713 1373806421 /nfs/dbraw/zinc/80/64/21/1373806421.db2.gz LOAKINMMUAPKFU-VAMGGRTRSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC001221933713 1373806422 /nfs/dbraw/zinc/80/64/22/1373806422.db2.gz LOAKINMMUAPKFU-VAMGGRTRSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)[C@@H]2C1 ZINC001221933713 1373806425 /nfs/dbraw/zinc/80/64/25/1373806425.db2.gz LOAKINMMUAPKFU-VAMGGRTRSA-N 2 1 349.563 3.364 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN3Cc4ccccc4[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC001222557586 1373853077 /nfs/dbraw/zinc/85/30/77/1373853077.db2.gz BPFYURRBIMMJIW-VJBMBRPKSA-N 2 1 347.506 3.080 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC1CC[NH+](CCC2CCCCC2)CC1 ZINC001225577867 1375126733 /nfs/dbraw/zinc/12/67/33/1375126733.db2.gz LZMDPEJFOJXRJN-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CC1CCCCC1 ZINC001132110668 1375153528 /nfs/dbraw/zinc/15/35/28/1375153528.db2.gz KUZPXCGMMYITPI-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CC1CCCCC1 ZINC001132110668 1375153532 /nfs/dbraw/zinc/15/35/32/1375153532.db2.gz KUZPXCGMMYITPI-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CC1CCCCC1 ZINC001132110668 1375153535 /nfs/dbraw/zinc/15/35/35/1375153535.db2.gz KUZPXCGMMYITPI-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132152382 1375171835 /nfs/dbraw/zinc/17/18/35/1375171835.db2.gz BBCPGUHFFRBFRY-RDJZCZTQSA-N 2 1 325.541 3.122 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132152382 1375171839 /nfs/dbraw/zinc/17/18/39/1375171839.db2.gz BBCPGUHFFRBFRY-RDJZCZTQSA-N 2 1 325.541 3.122 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132152382 1375171841 /nfs/dbraw/zinc/17/18/41/1375171841.db2.gz BBCPGUHFFRBFRY-RDJZCZTQSA-N 2 1 325.541 3.122 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](CCCC2CCC2)C1 ZINC001132153833 1375174353 /nfs/dbraw/zinc/17/43/53/1375174353.db2.gz UFMWOGJJMJBENV-FUHWJXTLSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCC2CCC2)C1 ZINC001132153833 1375174355 /nfs/dbraw/zinc/17/43/55/1375174355.db2.gz UFMWOGJJMJBENV-FUHWJXTLSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC2CCC2)C1 ZINC001132153833 1375174357 /nfs/dbraw/zinc/17/43/57/1375174357.db2.gz UFMWOGJJMJBENV-FUHWJXTLSA-N 2 1 337.552 3.266 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001132214965 1375214001 /nfs/dbraw/zinc/21/40/01/1375214001.db2.gz PQXQVGSZMWLFGR-XXCOWLKOSA-N 2 1 335.536 3.186 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@H+]1CCCCCF ZINC001132311700 1375289695 /nfs/dbraw/zinc/28/96/95/1375289695.db2.gz WYYUCYWBCLMONO-DLBZAZTESA-N 2 1 343.531 3.073 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[NH+]1CCCCCF ZINC001132311700 1375289704 /nfs/dbraw/zinc/28/97/04/1375289704.db2.gz WYYUCYWBCLMONO-DLBZAZTESA-N 2 1 343.531 3.073 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[NH+]1CCCCCF ZINC001132311700 1375289713 /nfs/dbraw/zinc/28/97/13/1375289713.db2.gz WYYUCYWBCLMONO-DLBZAZTESA-N 2 1 343.531 3.073 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132315415 1375292844 /nfs/dbraw/zinc/29/28/44/1375292844.db2.gz SWDPJYFURFFWSK-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132315415 1375292848 /nfs/dbraw/zinc/29/28/48/1375292848.db2.gz SWDPJYFURFFWSK-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132315415 1375292853 /nfs/dbraw/zinc/29/28/53/1375292853.db2.gz SWDPJYFURFFWSK-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CCCC)C1 ZINC001132364632 1375328455 /nfs/dbraw/zinc/32/84/55/1375328455.db2.gz CZYBLGZNUMYSSW-ROUUACIJSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCC)C1 ZINC001132364632 1375328463 /nfs/dbraw/zinc/32/84/63/1375328463.db2.gz CZYBLGZNUMYSSW-ROUUACIJSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC)C1 ZINC001132364632 1375328471 /nfs/dbraw/zinc/32/84/71/1375328471.db2.gz CZYBLGZNUMYSSW-ROUUACIJSA-N 2 1 325.541 3.268 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN2CCC3(CCC[NH2+]3)CC2)cc1 ZINC001226784782 1375333820 /nfs/dbraw/zinc/33/38/20/1375333820.db2.gz NLSZDYLKMKKOOW-FQEVSTJZSA-N 2 1 327.516 3.259 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001132376700 1375338079 /nfs/dbraw/zinc/33/80/79/1375338079.db2.gz PKYXJVAJESFQIA-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2c(C)cccc2C)C1 ZINC001132410707 1375360196 /nfs/dbraw/zinc/36/01/96/1375360196.db2.gz NADOOFHAKUFQJX-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2c(C)cccc2C)C1 ZINC001132410707 1375360201 /nfs/dbraw/zinc/36/02/01/1375360201.db2.gz NADOOFHAKUFQJX-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(C)cccc2C)C1 ZINC001132410707 1375360208 /nfs/dbraw/zinc/36/02/08/1375360208.db2.gz NADOOFHAKUFQJX-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CC1CC(C)(C)C1 ZINC001132434560 1375378307 /nfs/dbraw/zinc/37/83/07/1375378307.db2.gz YJUXQEGTWKDLKK-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132440738 1375384238 /nfs/dbraw/zinc/38/42/38/1375384238.db2.gz FHMNFTMRWQXGTF-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001132440738 1375384239 /nfs/dbraw/zinc/38/42/39/1375384239.db2.gz FHMNFTMRWQXGTF-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001132440738 1375384247 /nfs/dbraw/zinc/38/42/47/1375384247.db2.gz FHMNFTMRWQXGTF-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1cc(C)cc(C[NH+]2C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]2C)c1 ZINC001132517337 1375435899 /nfs/dbraw/zinc/43/58/99/1375435899.db2.gz BCPVOVDXSTZIGM-UYAOXDASSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cc(C)cc(C[N@@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)c1 ZINC001132517337 1375435903 /nfs/dbraw/zinc/43/59/03/1375435903.db2.gz BCPVOVDXSTZIGM-UYAOXDASSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cc(C)cc(C[N@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)c1 ZINC001132517337 1375435905 /nfs/dbraw/zinc/43/59/05/1375435905.db2.gz BCPVOVDXSTZIGM-UYAOXDASSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]2C)c(C)c1 ZINC001132518979 1375437222 /nfs/dbraw/zinc/43/72/22/1375437222.db2.gz QSWPUEULKUYPEX-UYAOXDASSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)c(C)c1 ZINC001132518979 1375437227 /nfs/dbraw/zinc/43/72/27/1375437227.db2.gz QSWPUEULKUYPEX-UYAOXDASSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)c(C)c1 ZINC001132518979 1375437229 /nfs/dbraw/zinc/43/72/29/1375437229.db2.gz QSWPUEULKUYPEX-UYAOXDASSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]2C)c(C)c1 ZINC001132518977 1375437488 /nfs/dbraw/zinc/43/74/88/1375437488.db2.gz QSWPUEULKUYPEX-ICSRJNTNSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)c(C)c1 ZINC001132518977 1375437492 /nfs/dbraw/zinc/43/74/92/1375437492.db2.gz QSWPUEULKUYPEX-ICSRJNTNSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)c(C)c1 ZINC001132518977 1375437495 /nfs/dbraw/zinc/43/74/95/1375437495.db2.gz QSWPUEULKUYPEX-ICSRJNTNSA-N 2 1 345.531 3.113 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CC1CCCCC1 ZINC001132523877 1375439078 /nfs/dbraw/zinc/43/90/78/1375439078.db2.gz BJMNYJORIKCOBW-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCc2cnc[nH]2)CC1 ZINC001227705393 1375464181 /nfs/dbraw/zinc/46/41/81/1375464181.db2.gz GCECWVGEYUXSRY-IBGZPJMESA-N 2 1 340.471 3.074 20 0 EGADMP CCC/C=C/CC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790528 1375565739 /nfs/dbraw/zinc/56/57/39/1375565739.db2.gz HLCLXIHGXPFTEV-VZSQWMKGSA-N 2 1 335.536 3.236 20 0 EGADMP O=C(NCC[NH2+]CCC1CCCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132791357 1375566870 /nfs/dbraw/zinc/56/68/70/1375566870.db2.gz XVKYPIORXVDRKT-HXUWFJFHSA-N 2 1 349.563 3.460 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001228619053 1375619301 /nfs/dbraw/zinc/61/93/01/1375619301.db2.gz RXDQGMUQYNLHHE-LXORQPIJSA-N 2 1 349.563 3.482 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001228852968 1375694729 /nfs/dbraw/zinc/69/47/29/1375694729.db2.gz MEWAWNPBFREMEM-OSFIAYCASA-N 2 1 346.519 3.380 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133122982 1375787838 /nfs/dbraw/zinc/78/78/38/1375787838.db2.gz WYNJFWHJNHVXJC-PWBPZBFBSA-N 2 1 349.563 3.149 20 0 EGADMP CCC(=O)C1(c2cccc(O[C@@H]3CC[N@H+](CC)C3)c2)CC[NH+](C)CC1 ZINC001229731667 1375882083 /nfs/dbraw/zinc/88/20/83/1375882083.db2.gz BEJQKKBFUQDQBU-LJQANCHMSA-N 2 1 344.499 3.102 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC001229837266 1375901449 /nfs/dbraw/zinc/90/14/49/1375901449.db2.gz DCCBVGXDAAXEFF-MISYRCLQSA-N 2 1 345.531 3.497 20 0 EGADMP CCCCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001230373893 1376010215 /nfs/dbraw/zinc/01/02/15/1376010215.db2.gz DCKYKBKMZOGNCM-IBGZPJMESA-N 2 1 331.504 3.060 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001327173417 1388421860 /nfs/dbraw/zinc/42/18/60/1388421860.db2.gz QDUJNYXITUFEJO-FQEVSTJZSA-N 2 1 349.563 3.413 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCC(C)C)CC1 ZINC001230610662 1376101172 /nfs/dbraw/zinc/10/11/72/1376101172.db2.gz GFJCZAMQIDSQTF-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001230617562 1376103376 /nfs/dbraw/zinc/10/33/76/1376103376.db2.gz CQYHWVAWDOKQQF-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230617562 1376103379 /nfs/dbraw/zinc/10/33/79/1376103379.db2.gz CQYHWVAWDOKQQF-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230617562 1376103382 /nfs/dbraw/zinc/10/33/82/1376103382.db2.gz CQYHWVAWDOKQQF-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001230617514 1376103769 /nfs/dbraw/zinc/10/37/69/1376103769.db2.gz BQWSBTNTGUBKRZ-YJJPMGAVSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230617514 1376103773 /nfs/dbraw/zinc/10/37/73/1376103773.db2.gz BQWSBTNTGUBKRZ-YJJPMGAVSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230617514 1376103777 /nfs/dbraw/zinc/10/37/77/1376103777.db2.gz BQWSBTNTGUBKRZ-YJJPMGAVSA-N 2 1 349.563 3.388 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)c1ccc(C(C)(C)C)cc1 ZINC001133823597 1376220001 /nfs/dbraw/zinc/22/00/01/1376220001.db2.gz KIMZPQBBRXPPCM-DLBZAZTESA-N 2 1 345.531 3.235 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001232012860 1376381599 /nfs/dbraw/zinc/38/15/99/1376381599.db2.gz VAANSARKLZIVCC-SUMWQHHRSA-N 2 1 342.443 3.004 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CCN1C(=O)OC(C)(C)C ZINC001232012703 1376381882 /nfs/dbraw/zinc/38/18/82/1376381882.db2.gz OIJJKJGWVZROTF-CQSZACIVSA-N 2 1 344.459 3.394 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CCN1C(=O)OC(C)(C)C ZINC001232012703 1376381886 /nfs/dbraw/zinc/38/18/86/1376381886.db2.gz OIJJKJGWVZROTF-CQSZACIVSA-N 2 1 344.459 3.394 20 0 EGADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc3c[nH+]ccc3[nH]2)O1 ZINC001232014466 1376384246 /nfs/dbraw/zinc/38/42/46/1376384246.db2.gz ITJWRNKVPYPZLZ-MISYRCLQSA-N 2 1 343.471 3.357 20 0 EGADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232016808 1376387099 /nfs/dbraw/zinc/38/70/99/1376387099.db2.gz IDDCZDIQXWHIEW-OAHLLOKOSA-N 2 1 337.423 3.352 20 0 EGADMP Oc1cncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001232044222 1376389028 /nfs/dbraw/zinc/38/90/28/1376389028.db2.gz FBYMXFDLUHWKKL-WOJBJXKFSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001232044222 1376389034 /nfs/dbraw/zinc/38/90/34/1376389034.db2.gz FBYMXFDLUHWKKL-WOJBJXKFSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001232044222 1376389037 /nfs/dbraw/zinc/38/90/37/1376389037.db2.gz FBYMXFDLUHWKKL-WOJBJXKFSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001232044217 1376390258 /nfs/dbraw/zinc/39/02/58/1376390258.db2.gz FBYMXFDLUHWKKL-UXHICEINSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001232044217 1376390269 /nfs/dbraw/zinc/39/02/69/1376390269.db2.gz FBYMXFDLUHWKKL-UXHICEINSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001232044217 1376390287 /nfs/dbraw/zinc/39/02/87/1376390287.db2.gz FBYMXFDLUHWKKL-UXHICEINSA-N 2 1 337.467 3.131 20 0 EGADMP c1nscc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001232227114 1376419561 /nfs/dbraw/zinc/41/95/61/1376419561.db2.gz BASNIWGQSIICRS-UHFFFAOYSA-N 2 1 343.496 3.010 20 0 EGADMP c1nscc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001232227114 1376419565 /nfs/dbraw/zinc/41/95/65/1376419565.db2.gz BASNIWGQSIICRS-UHFFFAOYSA-N 2 1 343.496 3.010 20 0 EGADMP Cc1nc(N)ccc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001232341351 1376445354 /nfs/dbraw/zinc/44/53/54/1376445354.db2.gz SQYKPXOGWMKMPG-NRFANRHFSA-N 2 1 336.483 3.070 20 0 EGADMP Cc1nc(N)ccc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001232341351 1376445359 /nfs/dbraw/zinc/44/53/59/1376445359.db2.gz SQYKPXOGWMKMPG-NRFANRHFSA-N 2 1 336.483 3.070 20 0 EGADMP Cc1nc(N)ccc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001232341351 1376445363 /nfs/dbraw/zinc/44/53/63/1376445363.db2.gz SQYKPXOGWMKMPG-NRFANRHFSA-N 2 1 336.483 3.070 20 0 EGADMP Cc1nc(N)ccc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001232341351 1376445369 /nfs/dbraw/zinc/44/53/69/1376445369.db2.gz SQYKPXOGWMKMPG-NRFANRHFSA-N 2 1 336.483 3.070 20 0 EGADMP CSc1cc(C)c(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)cn1 ZINC001232351931 1376447012 /nfs/dbraw/zinc/44/70/12/1376447012.db2.gz SHYQINGQGBWSFK-MRXNPFEDSA-N 2 1 329.469 3.469 20 0 EGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(C(C)(C)O)nc1 ZINC001232828535 1376520147 /nfs/dbraw/zinc/52/01/47/1376520147.db2.gz ODIMLYYAOZAVAI-ZWKOTPCHSA-N 2 1 331.504 3.148 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(C(C)(C)O)nc1 ZINC001232828535 1376520149 /nfs/dbraw/zinc/52/01/49/1376520149.db2.gz ODIMLYYAOZAVAI-ZWKOTPCHSA-N 2 1 331.504 3.148 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc(C(C)(C)O)nc1 ZINC001232828535 1376520155 /nfs/dbraw/zinc/52/01/55/1376520155.db2.gz ODIMLYYAOZAVAI-ZWKOTPCHSA-N 2 1 331.504 3.148 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc(C(C)(C)O)nc1 ZINC001232828535 1376520158 /nfs/dbraw/zinc/52/01/58/1376520158.db2.gz ODIMLYYAOZAVAI-ZWKOTPCHSA-N 2 1 331.504 3.148 20 0 EGADMP Cc1c[nH]c(=O)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001233193981 1376583577 /nfs/dbraw/zinc/58/35/77/1376583577.db2.gz LILMDNMENXXFKI-UYAOXDASSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1c[nH]c(=O)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001233193981 1376583581 /nfs/dbraw/zinc/58/35/81/1376583581.db2.gz LILMDNMENXXFKI-UYAOXDASSA-N 2 1 337.467 3.050 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2ccc(C)c(O)c2)CC1 ZINC001233234902 1376595365 /nfs/dbraw/zinc/59/53/65/1376595365.db2.gz IHYSUPZJDCLZEI-UHFFFAOYSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@H]([NH2+]CCNC(=O)CCn1cc[nH+]c1C(C)C)c1ccccc1 ZINC001134725825 1376680460 /nfs/dbraw/zinc/68/04/60/1376680460.db2.gz KCIJXMHDJVBEFW-SFHVURJKSA-N 2 1 342.487 3.254 20 0 EGADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038178 1376837643 /nfs/dbraw/zinc/83/76/43/1376837643.db2.gz DJJFKZUZEIBDEL-UZLBHIALSA-N 2 1 330.472 3.202 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CC1CCC(C)(C)CC1)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235338203 1376868650 /nfs/dbraw/zinc/86/86/50/1376868650.db2.gz VQRLBDQTRMLJHN-RBUKOAKNSA-N 2 1 349.563 3.076 20 0 EGADMP FC1(F)Oc2cccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2O1 ZINC001235429767 1376869597 /nfs/dbraw/zinc/86/95/97/1376869597.db2.gz ZMDNCCJXXLECTE-ZIAGYGMSSA-N 2 1 338.398 3.220 20 0 EGADMP Clc1cc2[nH]cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2cn1 ZINC001235430364 1376871448 /nfs/dbraw/zinc/87/14/48/1376871448.db2.gz WVZRHCZMVOIULU-KBPBESRZSA-N 2 1 332.879 3.428 20 0 EGADMP Clc1cc2[nH]cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2cn1 ZINC001235430370 1376871791 /nfs/dbraw/zinc/87/17/91/1376871791.db2.gz WVZRHCZMVOIULU-ZIAGYGMSSA-N 2 1 332.879 3.428 20 0 EGADMP Clc1ccc2c(c1)n[nH]c2C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431226 1376872266 /nfs/dbraw/zinc/87/22/66/1376872266.db2.gz YZWKEQAMFDYYSJ-KBPBESRZSA-N 2 1 332.879 3.428 20 0 EGADMP Cc1ccc2c(n1)N(CC1CC1)CC[N@H+](Cc1ccc(C[NH3+])cc1)C2 ZINC001235633633 1376881595 /nfs/dbraw/zinc/88/15/95/1376881595.db2.gz SCPGWHVSLCIBOM-UHFFFAOYSA-N 2 1 336.483 3.081 20 0 EGADMP CCOc1ccc2ccccc2c1C[N@H+](CCOC)C1CC[NH2+]CC1 ZINC001235944517 1376921085 /nfs/dbraw/zinc/92/10/85/1376921085.db2.gz OPKWLRZXGHCINF-UHFFFAOYSA-N 2 1 342.483 3.439 20 0 EGADMP CCOc1ccc2ccccc2c1C[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001235944517 1376921088 /nfs/dbraw/zinc/92/10/88/1376921088.db2.gz OPKWLRZXGHCINF-UHFFFAOYSA-N 2 1 342.483 3.439 20 0 EGADMP [NH3+]Cc1ccc(C[N@@H+]2CCc3c(Br)cccc3C2)cc1 ZINC001235946704 1376922414 /nfs/dbraw/zinc/92/24/14/1376922414.db2.gz QAFQMTVKBIXUDG-UHFFFAOYSA-N 2 1 331.257 3.466 20 0 EGADMP [NH3+]Cc1ccc(C[N@H+]2CCc3c(Br)cccc3C2)cc1 ZINC001235946704 1376922417 /nfs/dbraw/zinc/92/24/17/1376922417.db2.gz QAFQMTVKBIXUDG-UHFFFAOYSA-N 2 1 331.257 3.466 20 0 EGADMP CC(C)Oc1ccc(Br)cc1C[N@@H+](C)CCCC[NH3+] ZINC001236141446 1376936586 /nfs/dbraw/zinc/93/65/86/1376936586.db2.gz GNESFAJHHHDKIG-UHFFFAOYSA-N 2 1 329.282 3.407 20 0 EGADMP COc1ccccc1C[N@@H+](CC(C)(C)C[NH+](C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236702184 1376962493 /nfs/dbraw/zinc/96/24/93/1376962493.db2.gz ZFKMRJBRVVBYBA-WGSAOQKQSA-N 3 1 347.547 3.355 20 0 EGADMP COc1ccccc1C[N@H+](CC(C)(C)CN(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236702184 1376962498 /nfs/dbraw/zinc/96/24/98/1376962498.db2.gz ZFKMRJBRVVBYBA-WGSAOQKQSA-N 2 1 347.547 3.355 20 0 EGADMP COc1ccccc1C[N@@H+](CC(C)(C)CN(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236702184 1376962502 /nfs/dbraw/zinc/96/25/02/1376962502.db2.gz ZFKMRJBRVVBYBA-WGSAOQKQSA-N 2 1 347.547 3.355 20 0 EGADMP COc1ccccc1CN(CC(C)(C)C[NH+](C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236702184 1376962504 /nfs/dbraw/zinc/96/25/04/1376962504.db2.gz ZFKMRJBRVVBYBA-WGSAOQKQSA-N 2 1 347.547 3.355 20 0 EGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246157445 1377050265 /nfs/dbraw/zinc/05/02/65/1377050265.db2.gz BDPCPBDTAUTOSN-DOPJRALCSA-N 2 1 340.870 3.301 20 0 EGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)CC[NH2+]1 ZINC001246724925 1377053465 /nfs/dbraw/zinc/05/34/65/1377053465.db2.gz ZWGLDFMVYMYZAW-ZFMNYDKASA-N 2 1 343.515 3.339 20 0 EGADMP Cc1ccc(C[N@H+]2CCCC3(CCN([C@H]4CCC[NH2+]C4)CC3)C2)cc1 ZINC001246748577 1377053890 /nfs/dbraw/zinc/05/38/90/1377053890.db2.gz YZLTYRDEAOLTSB-NRFANRHFSA-N 2 1 341.543 3.425 20 0 EGADMP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246822410 1377055296 /nfs/dbraw/zinc/05/52/96/1377055296.db2.gz APFHJIDQTYHNNR-PCCRXHMLSA-N 2 1 334.504 3.102 20 0 EGADMP Fc1cccc(C[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)[C@H]2CCC[NH2+]C2)c1 ZINC001246937505 1377056406 /nfs/dbraw/zinc/05/64/06/1377056406.db2.gz PJPHGQFWFHNAJL-UXHICEINSA-N 3 1 345.506 3.302 20 0 EGADMP Fc1cccc(C[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)[C@H]2CCC[NH2+]C2)c1 ZINC001246937505 1377056410 /nfs/dbraw/zinc/05/64/10/1377056410.db2.gz PJPHGQFWFHNAJL-UXHICEINSA-N 3 1 345.506 3.302 20 0 EGADMP COc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCC[NH+](C)CC2)c1 ZINC001254511480 1377105389 /nfs/dbraw/zinc/10/53/89/1377105389.db2.gz ATXRITDXUUKSNP-UFYCRDLUSA-N 3 1 345.531 3.251 20 0 EGADMP COc1cccc(C[NH+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCC[N@H+](C)CC2)c1 ZINC001254511480 1377105392 /nfs/dbraw/zinc/10/53/92/1377105392.db2.gz ATXRITDXUUKSNP-UFYCRDLUSA-N 3 1 345.531 3.251 20 0 EGADMP COc1cccc(C[NH+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254511480 1377105394 /nfs/dbraw/zinc/10/53/94/1377105394.db2.gz ATXRITDXUUKSNP-UFYCRDLUSA-N 3 1 345.531 3.251 20 0 EGADMP COc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCCN(C)CC2)c1 ZINC001254511480 1377105397 /nfs/dbraw/zinc/10/53/97/1377105397.db2.gz ATXRITDXUUKSNP-UFYCRDLUSA-N 2 1 345.531 3.251 20 0 EGADMP COc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCCN(C)CC2)c1 ZINC001254511480 1377105399 /nfs/dbraw/zinc/10/53/99/1377105399.db2.gz ATXRITDXUUKSNP-UFYCRDLUSA-N 2 1 345.531 3.251 20 0 EGADMP Cc1ccc(CN2CCC([NH2+][C@H]3CCC[N@H+](C)CC3)CC2)c(F)c1 ZINC001254509835 1377105652 /nfs/dbraw/zinc/10/56/52/1377105652.db2.gz JHOARUZIUZLRKP-SFHVURJKSA-N 2 1 333.495 3.172 20 0 EGADMP C[N@H+]1CCC[C@@H](N2CCC([NH3+])(Cc3ccccc3Cl)CC2)CC1 ZINC001254511103 1377105667 /nfs/dbraw/zinc/10/56/67/1377105667.db2.gz VNBBWHQRFCOXFM-QGZVFWFLSA-N 2 1 335.923 3.160 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC1 ZINC001254511336 1377105785 /nfs/dbraw/zinc/10/57/85/1377105785.db2.gz YZCJICQMUVJPBQ-INIZCTEOSA-N 2 1 336.907 3.462 20 0 EGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4ccccc4c3)CC2)CC1 ZINC001254529204 1377106557 /nfs/dbraw/zinc/10/65/57/1377106557.db2.gz KYWVXUQGTWKRMF-JOCHJYFZSA-N 2 1 337.511 3.442 20 0 EGADMP CCC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135468705 1377108218 /nfs/dbraw/zinc/10/82/18/1377108218.db2.gz SFJNNLHMTRMSFV-MHEJJFAZSA-N 2 1 337.552 3.338 20 0 EGADMP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135480333 1377112421 /nfs/dbraw/zinc/11/24/21/1377112421.db2.gz ASZOQDGABKNEPR-SJORKVTESA-N 2 1 327.557 3.418 20 0 EGADMP CCC[NH+](CCC)CC[NH2+]C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258518457 1377117124 /nfs/dbraw/zinc/11/71/24/1377117124.db2.gz MTHFJYMIORWZMN-UHFFFAOYSA-N 2 1 326.525 3.410 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC=C(C)C ZINC001135690325 1377184412 /nfs/dbraw/zinc/18/44/12/1377184412.db2.gz GMLHDZGYNHNZLP-ROUUACIJSA-N 2 1 325.541 3.338 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001266114418 1377192088 /nfs/dbraw/zinc/19/20/88/1377192088.db2.gz ZUYVTVCVJWJEME-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001135718938 1377193352 /nfs/dbraw/zinc/19/33/52/1377193352.db2.gz VXPRBLFEYSIYKK-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CCc1ccc(CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CC)cc1 ZINC001135861664 1377238665 /nfs/dbraw/zinc/23/86/65/1377238665.db2.gz VFRUPGFEKATBFU-ROUUACIJSA-N 2 1 347.547 3.006 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135861515 1377238776 /nfs/dbraw/zinc/23/87/76/1377238776.db2.gz RXZOHXPOOKNEQN-QZTJIDSGSA-N 2 1 333.520 3.018 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135861710 1377238815 /nfs/dbraw/zinc/23/88/15/1377238815.db2.gz VYOTUZBCHYUCNX-DLBZAZTESA-N 2 1 345.531 3.279 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001135973719 1377282316 /nfs/dbraw/zinc/28/23/16/1377282316.db2.gz COGPEVPIQLDBGS-MSOLQXFVSA-N 2 1 333.520 3.100 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001135979632 1377285223 /nfs/dbraw/zinc/28/52/23/1377285223.db2.gz HYMSBYCJDKRUQY-IRXDYDNUSA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135980493 1377286249 /nfs/dbraw/zinc/28/62/49/1377286249.db2.gz PCAVEQJFNWGPFG-DLBZAZTESA-N 2 1 339.568 3.418 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001266987432 1377408123 /nfs/dbraw/zinc/40/81/23/1377408123.db2.gz PTEBCHDZADREKL-AWEZNQCLSA-N 2 1 347.547 3.165 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001267090236 1377411639 /nfs/dbraw/zinc/41/16/39/1377411639.db2.gz HZCSTEZSCFPDKV-UXHICEINSA-N 2 1 345.531 3.244 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001267393364 1377444199 /nfs/dbraw/zinc/44/41/99/1377444199.db2.gz DHOXNUHZBYSYKS-ICSRJNTNSA-N 2 1 345.531 3.224 20 0 EGADMP Fc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001137740144 1377608016 /nfs/dbraw/zinc/60/80/16/1377608016.db2.gz VMTIHCPYUYBRHG-UHFFFAOYSA-N 2 1 340.446 3.104 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)cc1 ZINC001138770260 1377782311 /nfs/dbraw/zinc/78/23/11/1377782311.db2.gz WBUDIONFKUOFSB-GDBMZVCRSA-N 2 1 348.384 3.207 20 0 EGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(OC(C)=O)c(OCC)c1 ZINC001139008703 1377817286 /nfs/dbraw/zinc/81/72/86/1377817286.db2.gz YGDNNGUFDUOLRA-UHFFFAOYSA-N 2 1 336.476 3.174 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC(C)=O)c(OCC)c1 ZINC001139008703 1377817287 /nfs/dbraw/zinc/81/72/87/1377817287.db2.gz YGDNNGUFDUOLRA-UHFFFAOYSA-N 2 1 336.476 3.174 20 0 EGADMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)cc(Br)c1)CC2 ZINC001139178328 1377844907 /nfs/dbraw/zinc/84/49/07/1377844907.db2.gz UOAPSWRDUOLZFE-UHFFFAOYSA-N 2 1 327.241 3.116 20 0 EGADMP CC(C)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1ccccc1 ZINC001139320377 1377867687 /nfs/dbraw/zinc/86/76/87/1377867687.db2.gz UWUWNBWOYYNWLW-UHFFFAOYSA-N 2 1 344.528 3.306 20 0 EGADMP CC(C)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1ccccc1 ZINC001139320377 1377867690 /nfs/dbraw/zinc/86/76/90/1377867690.db2.gz UWUWNBWOYYNWLW-UHFFFAOYSA-N 2 1 344.528 3.306 20 0 EGADMP COc1ncc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)s1 ZINC001139818999 1377956414 /nfs/dbraw/zinc/95/64/14/1377956414.db2.gz VJLXOFFJBBDBNY-UHFFFAOYSA-N 2 1 343.496 3.250 20 0 EGADMP Cn1ncc2cc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)ccc21 ZINC001139951609 1377981643 /nfs/dbraw/zinc/98/16/43/1377981643.db2.gz JMBZMZJKLZXTGY-LJQANCHMSA-N 2 1 326.488 3.414 20 0 EGADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccnnc3)C[C@@H]21 ZINC001139982541 1377986848 /nfs/dbraw/zinc/98/68/48/1377986848.db2.gz SFILVJOLPJKIFK-NZSAHSFTSA-N 2 1 342.512 3.271 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccnnc3)C[C@@H]21 ZINC001139982541 1377986849 /nfs/dbraw/zinc/98/68/49/1377986849.db2.gz SFILVJOLPJKIFK-NZSAHSFTSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccnnc3)C[C@@H]21 ZINC001139982541 1377986850 /nfs/dbraw/zinc/98/68/50/1377986850.db2.gz SFILVJOLPJKIFK-NZSAHSFTSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccnnc3)C[C@@H]21 ZINC001139982541 1377986851 /nfs/dbraw/zinc/98/68/51/1377986851.db2.gz SFILVJOLPJKIFK-NZSAHSFTSA-N 2 1 342.512 3.271 20 0 EGADMP CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1-n1cc[nH+]c1C ZINC001140027827 1377992410 /nfs/dbraw/zinc/99/24/10/1377992410.db2.gz CDXYLYMVONTYJS-LJQANCHMSA-N 2 1 340.471 3.061 20 0 EGADMP CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1-n1cc[nH+]c1C ZINC001140027827 1377992413 /nfs/dbraw/zinc/99/24/13/1377992413.db2.gz CDXYLYMVONTYJS-LJQANCHMSA-N 2 1 340.471 3.061 20 0 EGADMP COC(=O)CC[N@H+](Cc1ccccc1-n1cc[nH+]c1C)C1CCCC1 ZINC001140027943 1377992879 /nfs/dbraw/zinc/99/28/79/1377992879.db2.gz HYDDUXFHILVTLG-UHFFFAOYSA-N 2 1 341.455 3.488 20 0 EGADMP COC(=O)CC[N@@H+](Cc1ccccc1-n1cc[nH+]c1C)C1CCCC1 ZINC001140027943 1377992882 /nfs/dbraw/zinc/99/28/82/1377992882.db2.gz HYDDUXFHILVTLG-UHFFFAOYSA-N 2 1 341.455 3.488 20 0 EGADMP COc1ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OCC1CC1 ZINC001140491422 1378071896 /nfs/dbraw/zinc/07/18/96/1378071896.db2.gz ZKXRYSPGTLMIMB-HXUWFJFHSA-N 2 1 330.472 3.012 20 0 EGADMP Cc1cc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)ccc1O ZINC001140573832 1378087690 /nfs/dbraw/zinc/08/76/90/1378087690.db2.gz UJGLWVWZWDBEIW-CALCHBBNSA-N 2 1 328.481 3.326 20 0 EGADMP Cc1cc(C[N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)ccc1O ZINC001140573832 1378087693 /nfs/dbraw/zinc/08/76/93/1378087693.db2.gz UJGLWVWZWDBEIW-CALCHBBNSA-N 2 1 328.481 3.326 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cc[nH]c1)CC2 ZINC001140705310 1378119342 /nfs/dbraw/zinc/11/93/42/1378119342.db2.gz HTHRUHXVZYHDOT-HXUWFJFHSA-N 2 1 339.483 3.270 20 0 EGADMP FC(F)(F)CCC[N@@H+]1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275166526 1378137378 /nfs/dbraw/zinc/13/73/78/1378137378.db2.gz ZMSHJIVJPWWDER-INIZCTEOSA-N 2 1 344.425 3.014 20 0 EGADMP FC(F)(F)CCC[N@H+]1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275166526 1378137380 /nfs/dbraw/zinc/13/73/80/1378137380.db2.gz ZMSHJIVJPWWDER-INIZCTEOSA-N 2 1 344.425 3.014 20 0 EGADMP FC(F)(F)CCC[NH+]1CCC[C@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001275166526 1378137381 /nfs/dbraw/zinc/13/73/81/1378137381.db2.gz ZMSHJIVJPWWDER-INIZCTEOSA-N 2 1 344.425 3.014 20 0 EGADMP FC(F)(F)CCC[NH+]1CCC[C@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275166526 1378137383 /nfs/dbraw/zinc/13/73/83/1378137383.db2.gz ZMSHJIVJPWWDER-INIZCTEOSA-N 2 1 344.425 3.014 20 0 EGADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001140803056 1378141988 /nfs/dbraw/zinc/14/19/88/1378141988.db2.gz IEEURAHDYVMHHU-NSISKUIASA-N 2 1 341.455 3.111 20 0 EGADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001140803056 1378141995 /nfs/dbraw/zinc/14/19/95/1378141995.db2.gz IEEURAHDYVMHHU-NSISKUIASA-N 2 1 341.455 3.111 20 0 EGADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140806433 1378147372 /nfs/dbraw/zinc/14/73/72/1378147372.db2.gz HDJLBSMYMJJERE-AWEZNQCLSA-N 2 1 330.432 3.052 20 0 EGADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140806433 1378147377 /nfs/dbraw/zinc/14/73/77/1378147377.db2.gz HDJLBSMYMJJERE-AWEZNQCLSA-N 2 1 330.432 3.052 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OC(F)(F)F)c(F)c3)C[C@@H]2C1 ZINC001140883336 1378168585 /nfs/dbraw/zinc/16/85/85/1378168585.db2.gz GDAGMWGKRUTDOW-OLZOCXBDSA-N 2 1 332.341 3.108 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OC(F)(F)F)c(F)c3)C[C@@H]2C1 ZINC001140883336 1378168586 /nfs/dbraw/zinc/16/85/86/1378168586.db2.gz GDAGMWGKRUTDOW-OLZOCXBDSA-N 2 1 332.341 3.108 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(OC(F)(F)F)c(F)c3)C[C@@H]2C1 ZINC001140883336 1378168587 /nfs/dbraw/zinc/16/85/87/1378168587.db2.gz GDAGMWGKRUTDOW-OLZOCXBDSA-N 2 1 332.341 3.108 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)c(F)c3)C[C@@H]2C1 ZINC001140883336 1378168588 /nfs/dbraw/zinc/16/85/88/1378168588.db2.gz GDAGMWGKRUTDOW-OLZOCXBDSA-N 2 1 332.341 3.108 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)c1 ZINC001276576901 1378180366 /nfs/dbraw/zinc/18/03/66/1378180366.db2.gz PTBGYKVIVYAJFT-OYRHEFFESA-N 2 1 345.506 3.479 20 0 EGADMP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1c(C)noc1C)CC2 ZINC001276617679 1378181239 /nfs/dbraw/zinc/18/12/39/1378181239.db2.gz UFKGPDMCSLFLJQ-UHFFFAOYSA-N 2 1 346.500 3.154 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CCC1)C1CCCCCC1 ZINC001277368079 1378219206 /nfs/dbraw/zinc/21/92/06/1378219206.db2.gz BUYWIMYZCCTAHE-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC1CCC1)C1CCCCCC1 ZINC001277368079 1378219211 /nfs/dbraw/zinc/21/92/11/1378219211.db2.gz BUYWIMYZCCTAHE-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC1CCC1)C1CCCCCC1 ZINC001277368079 1378219213 /nfs/dbraw/zinc/21/92/13/1378219213.db2.gz BUYWIMYZCCTAHE-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)C1CCCCCC1 ZINC001277382144 1378221425 /nfs/dbraw/zinc/22/14/25/1378221425.db2.gz HOCIMXIETAGOME-LJQANCHMSA-N 2 1 337.552 3.412 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)C1CCCCCC1 ZINC001277382144 1378221429 /nfs/dbraw/zinc/22/14/29/1378221429.db2.gz HOCIMXIETAGOME-LJQANCHMSA-N 2 1 337.552 3.412 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)C1CCCCCC1 ZINC001277382144 1378221434 /nfs/dbraw/zinc/22/14/34/1378221434.db2.gz HOCIMXIETAGOME-LJQANCHMSA-N 2 1 337.552 3.412 20 0 EGADMP CCn1ccnc1C[N@H+]1CCCC2(CC[NH+](CCCCF)CC2)C1 ZINC001278205237 1378261962 /nfs/dbraw/zinc/26/19/62/1378261962.db2.gz FAFIWBBRBODUBA-UHFFFAOYSA-N 2 1 336.499 3.331 20 0 EGADMP c1c[nH]c(C[NH+]2CC[C@H]3C[N@@H+](Cc4cccc5c[nH]nc54)C[C@H]3CC2)c1 ZINC001279450087 1378308303 /nfs/dbraw/zinc/30/83/03/1378308303.db2.gz WVBIIXFPJBIRKB-HDICACEKSA-N 2 1 349.482 3.235 20 0 EGADMP c1c[nH]c(C[N@@H+]2CC[C@H]3C[NH+](Cc4cccc5c[nH]nc54)C[C@H]3CC2)c1 ZINC001279450087 1378308306 /nfs/dbraw/zinc/30/83/06/1378308306.db2.gz WVBIIXFPJBIRKB-HDICACEKSA-N 2 1 349.482 3.235 20 0 EGADMP c1c[nH]c(C[N@H+]2CC[C@H]3C[NH+](Cc4cccc5c[nH]nc54)C[C@H]3CC2)c1 ZINC001279450087 1378308312 /nfs/dbraw/zinc/30/83/12/1378308312.db2.gz WVBIIXFPJBIRKB-HDICACEKSA-N 2 1 349.482 3.235 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+](Cc2coc3ccc(F)cc23)CC1 ZINC001141854777 1378386399 /nfs/dbraw/zinc/38/63/99/1378386399.db2.gz PJRFFGATTBOKDN-UHFFFAOYSA-N 2 1 347.478 3.421 20 0 EGADMP C[C@@H]1CCC[C@](CNC(=O)CC[N@@H+](C)C2CCCCC2)([NH+](C)C)C1 ZINC001142065131 1378409916 /nfs/dbraw/zinc/40/99/16/1378409916.db2.gz LJPWVMICILBOJT-XLIONFOSSA-N 2 1 337.552 3.268 20 0 EGADMP CC1CC[NH+]([C@@H](CNC(=O)C[N@@H+](C)C2CCC2)c2ccccc2)CC1 ZINC001142071873 1378410274 /nfs/dbraw/zinc/41/02/74/1378410274.db2.gz VTRDQRRATNJLDC-FQEVSTJZSA-N 2 1 343.515 3.060 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c[nH]c4cc(Br)ccc34)C[C@@H]2C1 ZINC001142395068 1378439061 /nfs/dbraw/zinc/43/90/61/1378439061.db2.gz NTTGRMRCFJUCHA-OCCSQVGLSA-N 2 1 348.288 3.314 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c[nH]c4cc(Br)ccc34)C[C@@H]2C1 ZINC001142395068 1378439062 /nfs/dbraw/zinc/43/90/62/1378439062.db2.gz NTTGRMRCFJUCHA-OCCSQVGLSA-N 2 1 348.288 3.314 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c[nH]c4cc(Br)ccc34)C[C@@H]2C1 ZINC001142395068 1378439064 /nfs/dbraw/zinc/43/90/64/1378439064.db2.gz NTTGRMRCFJUCHA-OCCSQVGLSA-N 2 1 348.288 3.314 20 0 EGADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)cc(F)c1)C2 ZINC001143586243 1378621552 /nfs/dbraw/zinc/62/15/52/1378621552.db2.gz UVPYMIHZTZFMSS-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)cc(F)c1)C2 ZINC001143586243 1378621555 /nfs/dbraw/zinc/62/15/55/1378621555.db2.gz UVPYMIHZTZFMSS-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(C)cc(F)c1)C2 ZINC001143586243 1378621557 /nfs/dbraw/zinc/62/15/57/1378621557.db2.gz UVPYMIHZTZFMSS-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(C)cc(F)c1)C2 ZINC001143586243 1378621560 /nfs/dbraw/zinc/62/15/60/1378621560.db2.gz UVPYMIHZTZFMSS-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP c1csc(C[N@H+]2C[C@H]3CN(Cc4ccc5cc[nH]c5n4)C[C@H]3C2)c1 ZINC001144171487 1378692277 /nfs/dbraw/zinc/69/22/77/1378692277.db2.gz BTFGFWNSGHPGPD-IYBDPMFKSA-N 2 1 338.480 3.188 20 0 EGADMP c1cc2ccc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)nc2[nH]1 ZINC001144179484 1378694100 /nfs/dbraw/zinc/69/41/00/1378694100.db2.gz GYHDJAHDPMCZOP-OALUTQOASA-N 2 1 332.451 3.127 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001146334129 1378820085 /nfs/dbraw/zinc/82/00/85/1378820085.db2.gz VAJCFWSTLZFOQS-HOTGVXAUSA-N 2 1 334.508 3.035 20 0 EGADMP CCCc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001146593846 1378873829 /nfs/dbraw/zinc/87/38/29/1378873829.db2.gz QQISHEBFJLBJSA-MSOLQXFVSA-N 2 1 347.547 3.352 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCc1ccccc1 ZINC001146591915 1378873971 /nfs/dbraw/zinc/87/39/71/1378873971.db2.gz IHCMMXDHUBGHBT-MOPGFXCFSA-N 2 1 347.547 3.222 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001147742649 1379070102 /nfs/dbraw/zinc/07/01/02/1379070102.db2.gz MUCYLDUZZDHSLF-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001147742649 1379070106 /nfs/dbraw/zinc/07/01/06/1379070106.db2.gz MUCYLDUZZDHSLF-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001147742649 1379070110 /nfs/dbraw/zinc/07/01/10/1379070110.db2.gz MUCYLDUZZDHSLF-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148315129 1379149610 /nfs/dbraw/zinc/14/96/10/1379149610.db2.gz CJWPWKDKLIMFBI-HJWRWDBZSA-N 2 1 349.563 3.245 20 0 EGADMP CCC/C=C\CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001148315129 1379149614 /nfs/dbraw/zinc/14/96/14/1379149614.db2.gz CJWPWKDKLIMFBI-HJWRWDBZSA-N 2 1 349.563 3.245 20 0 EGADMP CCC/C=C\CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001148315129 1379149620 /nfs/dbraw/zinc/14/96/20/1379149620.db2.gz CJWPWKDKLIMFBI-HJWRWDBZSA-N 2 1 349.563 3.245 20 0 EGADMP CC(C)CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001148605728 1379224194 /nfs/dbraw/zinc/22/41/94/1379224194.db2.gz SRQXVHXBMHFKBH-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1CCCC1CCCC1 ZINC001284131397 1379513543 /nfs/dbraw/zinc/51/35/43/1379513543.db2.gz KZVQRHVLYMDAGB-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001151903760 1379813676 /nfs/dbraw/zinc/81/36/76/1379813676.db2.gz TVLHKSMLIQRHPS-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001153361938 1380063732 /nfs/dbraw/zinc/06/37/32/1380063732.db2.gz IGDPIMXQSRLCEY-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153361938 1380063738 /nfs/dbraw/zinc/06/37/38/1380063738.db2.gz IGDPIMXQSRLCEY-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153361938 1380063742 /nfs/dbraw/zinc/06/37/42/1380063742.db2.gz IGDPIMXQSRLCEY-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C(=O)NC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC001153448475 1380079118 /nfs/dbraw/zinc/07/91/18/1380079118.db2.gz YHWCXSZTQZWWLS-LJQANCHMSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC001153448475 1380079121 /nfs/dbraw/zinc/07/91/21/1380079121.db2.gz YHWCXSZTQZWWLS-LJQANCHMSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC001153448475 1380079124 /nfs/dbraw/zinc/07/91/24/1380079124.db2.gz YHWCXSZTQZWWLS-LJQANCHMSA-N 2 1 345.531 3.134 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCC1CCC1 ZINC001153720732 1380119035 /nfs/dbraw/zinc/11/90/35/1380119035.db2.gz NUOXUYFLPKQGCY-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCCC1CCC1 ZINC001153720732 1380119037 /nfs/dbraw/zinc/11/90/37/1380119037.db2.gz NUOXUYFLPKQGCY-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCCC1CCC1 ZINC001153720732 1380119039 /nfs/dbraw/zinc/11/90/39/1380119039.db2.gz NUOXUYFLPKQGCY-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@H]1CCCc2nccn21 ZINC001153818978 1380136072 /nfs/dbraw/zinc/13/60/72/1380136072.db2.gz IOLZNQGGNYUGFF-SJLPKXTDSA-N 2 1 346.519 3.167 20 0 EGADMP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153818978 1380136073 /nfs/dbraw/zinc/13/60/73/1380136073.db2.gz IOLZNQGGNYUGFF-SJLPKXTDSA-N 2 1 346.519 3.167 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153818978 1380136074 /nfs/dbraw/zinc/13/60/74/1380136074.db2.gz IOLZNQGGNYUGFF-SJLPKXTDSA-N 2 1 346.519 3.167 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1csc(C)c1 ZINC001154070253 1380198289 /nfs/dbraw/zinc/19/82/89/1380198289.db2.gz VXRYEIXHNHPAHK-CQSZACIVSA-N 2 1 339.549 3.113 20 0 EGADMP CC[NH+](Cc1csc(C)c1)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154070253 1380198290 /nfs/dbraw/zinc/19/82/90/1380198290.db2.gz VXRYEIXHNHPAHK-CQSZACIVSA-N 2 1 339.549 3.113 20 0 EGADMP CC[NH+](Cc1csc(C)c1)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154070253 1380198292 /nfs/dbraw/zinc/19/82/92/1380198292.db2.gz VXRYEIXHNHPAHK-CQSZACIVSA-N 2 1 339.549 3.113 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)CC ZINC001154069421 1380198629 /nfs/dbraw/zinc/19/86/29/1380198629.db2.gz DDJYBTRGRKESNN-MUSGIIIZSA-N 2 1 325.541 3.290 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154069421 1380198633 /nfs/dbraw/zinc/19/86/33/1380198633.db2.gz DDJYBTRGRKESNN-MUSGIIIZSA-N 2 1 325.541 3.290 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154069421 1380198634 /nfs/dbraw/zinc/19/86/34/1380198634.db2.gz DDJYBTRGRKESNN-MUSGIIIZSA-N 2 1 325.541 3.290 20 0 EGADMP CCc1cccc(C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)CC)c1 ZINC001154070197 1380198775 /nfs/dbraw/zinc/19/87/75/1380198775.db2.gz SNUFQUIGUNPYDE-QGZVFWFLSA-N 2 1 347.547 3.306 20 0 EGADMP CCc1cccc(C[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC)c1 ZINC001154070197 1380198779 /nfs/dbraw/zinc/19/87/79/1380198779.db2.gz SNUFQUIGUNPYDE-QGZVFWFLSA-N 2 1 347.547 3.306 20 0 EGADMP CCc1cccc(C[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC)c1 ZINC001154070197 1380198783 /nfs/dbraw/zinc/19/87/83/1380198783.db2.gz SNUFQUIGUNPYDE-QGZVFWFLSA-N 2 1 347.547 3.306 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154123294 1380212955 /nfs/dbraw/zinc/21/29/55/1380212955.db2.gz TVIKONFZBBOBOP-MOPGFXCFSA-N 2 1 339.568 3.370 20 0 EGADMP CC[NH+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001154123294 1380212957 /nfs/dbraw/zinc/21/29/57/1380212957.db2.gz TVIKONFZBBOBOP-MOPGFXCFSA-N 2 1 339.568 3.370 20 0 EGADMP CC[NH+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001154123294 1380212960 /nfs/dbraw/zinc/21/29/60/1380212960.db2.gz TVIKONFZBBOBOP-MOPGFXCFSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178006 1380221878 /nfs/dbraw/zinc/22/18/78/1380221878.db2.gz AZKOQWDTKLWBGK-MRXNPFEDSA-N 2 1 340.471 3.275 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154481334 1380285723 /nfs/dbraw/zinc/28/57/23/1380285723.db2.gz NNXTWLPSDYOJNX-GOSISDBHSA-N 2 1 347.547 3.421 20 0 EGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001154785032 1380350641 /nfs/dbraw/zinc/35/06/41/1380350641.db2.gz WRWJRYRRIJCYRM-JCMVTEASSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001154785032 1380350642 /nfs/dbraw/zinc/35/06/42/1380350642.db2.gz WRWJRYRRIJCYRM-JCMVTEASSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001154785032 1380350644 /nfs/dbraw/zinc/35/06/44/1380350644.db2.gz WRWJRYRRIJCYRM-JCMVTEASSA-N 2 1 337.552 3.291 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888839 1380373483 /nfs/dbraw/zinc/37/34/83/1380373483.db2.gz WAJRETVVCXSJKU-MRXNPFEDSA-N 2 1 337.508 3.362 20 0 EGADMP Cc1cc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)nc2c(Cl)cccc12 ZINC001155375493 1380443236 /nfs/dbraw/zinc/44/32/36/1380443236.db2.gz FRJBYQBKIVKNRU-OAHLLOKOSA-N 2 1 344.890 3.056 20 0 EGADMP Cc1ccc2cc(Cl)nc(N3CCC[C@H]([NH+]4CC(C[NH3+])C4)C3)c2c1 ZINC001155377890 1380443768 /nfs/dbraw/zinc/44/37/68/1380443768.db2.gz WACMQKOJHBBUBX-INIZCTEOSA-N 2 1 344.890 3.056 20 0 EGADMP c1cc2n(c1)C[C@H](CCNc1[nH+]ccc3c4c([nH]c31)CCC4)C[NH2+]C2 ZINC001155462504 1380456593 /nfs/dbraw/zinc/45/65/93/1380456593.db2.gz MKZMXKDXGRVTPW-CQSZACIVSA-N 2 1 335.455 3.075 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001155611535 1380473318 /nfs/dbraw/zinc/47/33/18/1380473318.db2.gz IDUIHKPMCBPRPE-YZBXUTEPSA-N 2 1 337.552 3.434 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001155621952 1380475473 /nfs/dbraw/zinc/47/54/73/1380475473.db2.gz UVLWEQNKLGMEJU-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001155621952 1380475474 /nfs/dbraw/zinc/47/54/74/1380475474.db2.gz UVLWEQNKLGMEJU-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001155621952 1380475475 /nfs/dbraw/zinc/47/54/75/1380475475.db2.gz UVLWEQNKLGMEJU-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631286 1380476700 /nfs/dbraw/zinc/47/67/00/1380476700.db2.gz LHEXNGOMWUPMKM-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CCC(C)C ZINC001155878110 1380501761 /nfs/dbraw/zinc/50/17/61/1380501761.db2.gz TUGIEYOIWQCHOU-GOSISDBHSA-N 2 1 327.557 3.371 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CCC(C)C ZINC001155878110 1380501762 /nfs/dbraw/zinc/50/17/62/1380501762.db2.gz TUGIEYOIWQCHOU-GOSISDBHSA-N 2 1 327.557 3.371 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C ZINC001155878110 1380501763 /nfs/dbraw/zinc/50/17/63/1380501763.db2.gz TUGIEYOIWQCHOU-GOSISDBHSA-N 2 1 327.557 3.371 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001156299608 1380553994 /nfs/dbraw/zinc/55/39/94/1380553994.db2.gz WOFIVSPOWHNCJH-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428386 1380574752 /nfs/dbraw/zinc/57/47/52/1380574752.db2.gz MVRSARAOQIQJAX-IAGOWNOFSA-N 2 1 348.535 3.270 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1c(C)cccc1C ZINC001156510105 1380586270 /nfs/dbraw/zinc/58/62/70/1380586270.db2.gz HRLSFHJBPZJCJW-LJQANCHMSA-N 2 1 347.547 3.362 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1c(C)cccc1C ZINC001156510105 1380586271 /nfs/dbraw/zinc/58/62/71/1380586271.db2.gz HRLSFHJBPZJCJW-LJQANCHMSA-N 2 1 347.547 3.362 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1c(C)cccc1C ZINC001156510105 1380586272 /nfs/dbraw/zinc/58/62/72/1380586272.db2.gz HRLSFHJBPZJCJW-LJQANCHMSA-N 2 1 347.547 3.362 20 0 EGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3CC[N@@H+](C)C3)c2c1C ZINC001156581274 1380596387 /nfs/dbraw/zinc/59/63/87/1380596387.db2.gz XLYZRRVNWHPRPX-AWEZNQCLSA-N 2 1 345.516 3.020 20 0 EGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3CC[N@H+](C)C3)c2c1C ZINC001156581274 1380596388 /nfs/dbraw/zinc/59/63/88/1380596388.db2.gz XLYZRRVNWHPRPX-AWEZNQCLSA-N 2 1 345.516 3.020 20 0 EGADMP CN(C)c1cc[nH+]c(N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)c1 ZINC001157066511 1380766421 /nfs/dbraw/zinc/76/64/21/1380766421.db2.gz JDYQAHNCPQGNJU-UHFFFAOYSA-N 2 1 342.462 3.388 20 0 EGADMP CC(C)n1ccc2c1nc[nH+]c2N1CCC(C)([NH+]2CCCC2)CC1 ZINC001157659714 1380992094 /nfs/dbraw/zinc/99/20/94/1380992094.db2.gz KGFZDXDXZYBHME-UHFFFAOYSA-N 2 1 327.476 3.467 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001157893213 1381063342 /nfs/dbraw/zinc/06/33/42/1381063342.db2.gz BDQHSBBRPBBYGB-AZUAARDMSA-N 2 1 345.531 3.333 20 0 EGADMP COc1ccc(CN(c2cc(C)cc[nH+]2)C2CC[NH2+]CC2)cc1F ZINC001158003483 1381100038 /nfs/dbraw/zinc/10/00/38/1381100038.db2.gz MNUDVDQKEKCNFG-UHFFFAOYSA-N 2 1 329.419 3.296 20 0 EGADMP CC(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001158059443 1381115813 /nfs/dbraw/zinc/11/58/13/1381115813.db2.gz BAZXEEPVZBDPRO-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001158059443 1381115820 /nfs/dbraw/zinc/11/58/20/1381115820.db2.gz BAZXEEPVZBDPRO-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001158059443 1381115822 /nfs/dbraw/zinc/11/58/22/1381115822.db2.gz BAZXEEPVZBDPRO-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC1CCC1)C1CCC1 ZINC001158090100 1381124929 /nfs/dbraw/zinc/12/49/29/1381124929.db2.gz ILZDWFQMOWSBTD-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001158090100 1381124932 /nfs/dbraw/zinc/12/49/32/1381124932.db2.gz ILZDWFQMOWSBTD-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001158090100 1381124936 /nfs/dbraw/zinc/12/49/36/1381124936.db2.gz ILZDWFQMOWSBTD-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP COc1cc(N2CCN(c3cc[nH+]cc3C)CC2)[nH+]c2ccccc21 ZINC001158107717 1381130190 /nfs/dbraw/zinc/13/01/90/1381130190.db2.gz DAXIWTGBDBZDSX-UHFFFAOYSA-N 2 1 334.423 3.273 20 0 EGADMP CC[C@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158185245 1381150910 /nfs/dbraw/zinc/15/09/10/1381150910.db2.gz FIOGFFUHQFTPPQ-FUHWJXTLSA-N 2 1 342.487 3.307 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186530 1381151826 /nfs/dbraw/zinc/15/18/26/1381151826.db2.gz UWIHDSTXIPAXNB-GOSISDBHSA-N 2 1 342.487 3.451 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CCCC1 ZINC001158228316 1381167639 /nfs/dbraw/zinc/16/76/39/1381167639.db2.gz ZONZCTHQSUYXBZ-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CCCC1 ZINC001158228316 1381167642 /nfs/dbraw/zinc/16/76/42/1381167642.db2.gz ZONZCTHQSUYXBZ-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1nc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC001158265179 1381177485 /nfs/dbraw/zinc/17/74/85/1381177485.db2.gz FSXQSQTUTFHNFK-DNVCBOLYSA-N 2 1 331.508 3.341 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001158385460 1381227104 /nfs/dbraw/zinc/22/71/04/1381227104.db2.gz JDKIFYOHUDGETC-YDZRNGNQSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H](C)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001158385460 1381227110 /nfs/dbraw/zinc/22/71/10/1381227110.db2.gz JDKIFYOHUDGETC-YDZRNGNQSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H](C)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001158385460 1381227119 /nfs/dbraw/zinc/22/71/19/1381227119.db2.gz JDKIFYOHUDGETC-YDZRNGNQSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CCC(C)(C)C)C1 ZINC001158474416 1381258332 /nfs/dbraw/zinc/25/83/32/1381258332.db2.gz YVAXLUZCBFUOPB-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@H+](C)CCC(C)(C)C)C1 ZINC001158474416 1381258339 /nfs/dbraw/zinc/25/83/39/1381258339.db2.gz YVAXLUZCBFUOPB-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CCC(C)(C)C)C1 ZINC001158474416 1381258345 /nfs/dbraw/zinc/25/83/45/1381258345.db2.gz YVAXLUZCBFUOPB-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CC1 ZINC001158541798 1381289587 /nfs/dbraw/zinc/28/95/87/1381289587.db2.gz USDKAWZZESVWJW-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CC1 ZINC001158541798 1381289592 /nfs/dbraw/zinc/28/95/92/1381289592.db2.gz USDKAWZZESVWJW-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001158559207 1381298635 /nfs/dbraw/zinc/29/86/35/1381298635.db2.gz CRQZRYFOGQTBAP-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001328281958 1388713173 /nfs/dbraw/zinc/71/31/73/1388713173.db2.gz FEIPJQKKVDEHIL-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001328281958 1388713178 /nfs/dbraw/zinc/71/31/78/1388713178.db2.gz FEIPJQKKVDEHIL-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001328281958 1388713180 /nfs/dbraw/zinc/71/31/80/1388713180.db2.gz FEIPJQKKVDEHIL-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158768293 1381391607 /nfs/dbraw/zinc/39/16/07/1381391607.db2.gz RJJBOWVTLLDXJT-LJQANCHMSA-N 2 1 339.568 3.467 20 0 EGADMP C[N@@H+](CCC1CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158866134 1381441326 /nfs/dbraw/zinc/44/13/26/1381441326.db2.gz LBPBNQXUUJVAPF-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001158866134 1381441337 /nfs/dbraw/zinc/44/13/37/1381441337.db2.gz LBPBNQXUUJVAPF-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001158866134 1381441344 /nfs/dbraw/zinc/44/13/44/1381441344.db2.gz LBPBNQXUUJVAPF-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP Brc1ccc2[nH+]cc(Nc3ccc4c(c3)CC[NH2+]C4)n2c1 ZINC001159203666 1381729894 /nfs/dbraw/zinc/72/98/94/1381729894.db2.gz IXBRLNMXEQONAE-UHFFFAOYSA-N 2 1 343.228 3.486 20 0 EGADMP Cc1[nH+]c2c(Nc3ccc(CN4CC[NH2+]CC4)cc3)cccn2c1C ZINC001159397045 1381785204 /nfs/dbraw/zinc/78/52/04/1381785204.db2.gz PJDGSBIJAZLPCP-UHFFFAOYSA-N 2 1 335.455 3.100 20 0 EGADMP Cc1[nH+]c2c(Nc3cccc(CN4CC[NH2+]CC4)c3)cccn2c1C ZINC001159395717 1381785439 /nfs/dbraw/zinc/78/54/39/1381785439.db2.gz HJRRROBURKWTNN-UHFFFAOYSA-N 2 1 335.455 3.100 20 0 EGADMP Cc1cc(C)[nH+]c(N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001159625897 1381851540 /nfs/dbraw/zinc/85/15/40/1381851540.db2.gz DRWUIFSRMSWYSP-MXVIHJGJSA-N 2 1 342.531 3.449 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001159839323 1381917023 /nfs/dbraw/zinc/91/70/23/1381917023.db2.gz YEOYHYLCYSTCRE-RTBURBONSA-N 2 1 345.531 3.130 20 0 EGADMP Clc1cc(Nc2ccc3[nH]c[nH+]c3c2)ccc1N1CC[NH2+]CC1 ZINC001159858452 1381921726 /nfs/dbraw/zinc/92/17/26/1381921726.db2.gz GJSXHECGWKWVGR-UHFFFAOYSA-N 2 1 327.819 3.370 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001159911474 1381935549 /nfs/dbraw/zinc/93/55/49/1381935549.db2.gz YXDYOBPUMXASJC-OALUTQOASA-N 2 1 345.531 3.415 20 0 EGADMP [NH3+][C@@H]1CCCN(c2ccc(Nc3cc[nH+]cc3C(F)(F)F)cc2)C1 ZINC001159986067 1381959331 /nfs/dbraw/zinc/95/93/31/1381959331.db2.gz FJRCYGHKMXLTOP-GFCCVEGCSA-N 2 1 336.361 3.193 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160131722 1382008476 /nfs/dbraw/zinc/00/84/76/1382008476.db2.gz TYZWDTRWPWTIAQ-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001160273035 1382058622 /nfs/dbraw/zinc/05/86/22/1382058622.db2.gz GLFLWUOSGUNEPX-LJQANCHMSA-N 2 1 337.552 3.317 20 0 EGADMP CCCc1ccc(C[NH2+]CCCNC(=O)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001160274722 1382058645 /nfs/dbraw/zinc/05/86/45/1382058645.db2.gz WCDDLNGRPMWDOD-HXUWFJFHSA-N 2 1 345.531 3.109 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160360359 1382082914 /nfs/dbraw/zinc/08/29/14/1382082914.db2.gz POURCTZPFKHAMO-VOTSOKGWSA-N 2 1 347.547 3.356 20 0 EGADMP CC[C@H](C(=O)NCCC1=CC[N@@H+](CCC2CCCCC2)CC1)[NH+](C)C ZINC001160472925 1382115876 /nfs/dbraw/zinc/11/58/76/1382115876.db2.gz DIUVZLGAWUJLTA-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567805 1382144129 /nfs/dbraw/zinc/14/41/29/1382144129.db2.gz LKLQXCRAOHKBNY-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160567805 1382144132 /nfs/dbraw/zinc/14/41/32/1382144132.db2.gz LKLQXCRAOHKBNY-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160567805 1382144135 /nfs/dbraw/zinc/14/41/35/1382144135.db2.gz LKLQXCRAOHKBNY-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CCC2)CC1 ZINC001160567616 1382144914 /nfs/dbraw/zinc/14/49/14/1382144914.db2.gz HCIWDBQLCZIQOM-HXUWFJFHSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC2CCC2)CC1 ZINC001160567616 1382144916 /nfs/dbraw/zinc/14/49/16/1382144916.db2.gz HCIWDBQLCZIQOM-HXUWFJFHSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001160567616 1382144919 /nfs/dbraw/zinc/14/49/19/1382144919.db2.gz HCIWDBQLCZIQOM-HXUWFJFHSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161133764 1382313999 /nfs/dbraw/zinc/31/39/99/1382313999.db2.gz PMHWJJBTAFURPG-QULHZPMSSA-N 2 1 335.536 3.067 20 0 EGADMP CC[C@H](C(=O)NCCC1=CC[N@@H+](CC2CC(C)C2)CC1)[NH+](CC)CC ZINC001161213086 1382343997 /nfs/dbraw/zinc/34/39/97/1382343997.db2.gz GAPPJICMBZUUNM-LYBXBRPPSA-N 2 1 349.563 3.291 20 0 EGADMP CC1CC(C[N@@H+]2CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC2)C1 ZINC001161219485 1382345802 /nfs/dbraw/zinc/34/58/02/1382345802.db2.gz HLMZNNCISVYNEG-UHFFFAOYSA-N 2 1 349.563 3.149 20 0 EGADMP CC1CC(C[NH+]2CC=C(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC2)C1 ZINC001161219485 1382345807 /nfs/dbraw/zinc/34/58/07/1382345807.db2.gz HLMZNNCISVYNEG-UHFFFAOYSA-N 2 1 349.563 3.149 20 0 EGADMP CC1CC(C[NH+]2CC=C(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC2)C1 ZINC001161219485 1382345812 /nfs/dbraw/zinc/34/58/12/1382345812.db2.gz HLMZNNCISVYNEG-UHFFFAOYSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001161219955 1382346443 /nfs/dbraw/zinc/34/64/43/1382346443.db2.gz RWLOEUCPOOBLPN-UEKDZROGSA-N 2 1 347.547 3.213 20 0 EGADMP CCCC[N@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001161383259 1382391558 /nfs/dbraw/zinc/39/15/58/1382391558.db2.gz ODBQYQIIDYIANS-UHFFFAOYSA-N 2 1 346.519 3.335 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001161383259 1382391560 /nfs/dbraw/zinc/39/15/60/1382391560.db2.gz ODBQYQIIDYIANS-UHFFFAOYSA-N 2 1 346.519 3.335 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391655 1382397293 /nfs/dbraw/zinc/39/72/93/1382397293.db2.gz UOLNJSHGOHGZFB-HXUWFJFHSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161391655 1382397299 /nfs/dbraw/zinc/39/72/99/1382397299.db2.gz UOLNJSHGOHGZFB-HXUWFJFHSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161391655 1382397305 /nfs/dbraw/zinc/39/73/05/1382397305.db2.gz UOLNJSHGOHGZFB-HXUWFJFHSA-N 2 1 349.563 3.434 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC001161412969 1382402896 /nfs/dbraw/zinc/40/28/96/1382402896.db2.gz NCDFHZRPEBYOAQ-NMLBUPMWSA-N 2 1 343.515 3.045 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)c1ccccc1 ZINC001161643910 1382468401 /nfs/dbraw/zinc/46/84/01/1382468401.db2.gz DPCANDXNKRMDHY-PMACEKPBSA-N 2 1 345.531 3.354 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](CCCC2CCC2)CC1 ZINC001161645704 1382469627 /nfs/dbraw/zinc/46/96/27/1382469627.db2.gz OXLUVKRKACDOMW-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@H+](CCCC2CCC2)CC1 ZINC001161645704 1382469629 /nfs/dbraw/zinc/46/96/29/1382469629.db2.gz OXLUVKRKACDOMW-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001161645704 1382469634 /nfs/dbraw/zinc/46/96/34/1382469634.db2.gz OXLUVKRKACDOMW-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CCC)CC1 ZINC001161679290 1382478550 /nfs/dbraw/zinc/47/85/50/1382478550.db2.gz XYAWTBXPHGUOLS-IBGZPJMESA-N 2 1 335.536 3.189 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](CCC)CC1 ZINC001161679290 1382478551 /nfs/dbraw/zinc/47/85/51/1382478551.db2.gz XYAWTBXPHGUOLS-IBGZPJMESA-N 2 1 335.536 3.189 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCC)CC1 ZINC001161679290 1382478552 /nfs/dbraw/zinc/47/85/52/1382478552.db2.gz XYAWTBXPHGUOLS-IBGZPJMESA-N 2 1 335.536 3.189 20 0 EGADMP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC2=CC[N@@H+](CCC3CC3)CC2)C1 ZINC001161704659 1382485362 /nfs/dbraw/zinc/48/53/62/1382485362.db2.gz DMDRNWJNNJVWLM-UXHICEINSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161893281 1382542449 /nfs/dbraw/zinc/54/24/49/1382542449.db2.gz AVABOIPYGGJGOF-LJQANCHMSA-N 2 1 349.563 3.437 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001328651165 1388797420 /nfs/dbraw/zinc/79/74/20/1388797420.db2.gz QVISJEBDTMYVPE-AEFFLSMTSA-N 2 1 348.535 3.385 20 0 EGADMP FC(F)(F)c1ccncc1CNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001162291071 1382723010 /nfs/dbraw/zinc/72/30/10/1382723010.db2.gz HWYFGZKXJZAQBH-UHFFFAOYSA-N 2 1 347.344 3.047 20 0 EGADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1nc(N2CCCC(C)(C)C2)cc[nH+]1 ZINC001162460737 1382763400 /nfs/dbraw/zinc/76/34/00/1382763400.db2.gz JYEFDSZNVJUBDC-HZPDHXFCSA-N 2 1 331.508 3.151 20 0 EGADMP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NC[C@@H]1CCCC[C@H]1C ZINC001162524706 1382780573 /nfs/dbraw/zinc/78/05/73/1382780573.db2.gz OLEAWKOWCUPKTF-PBHICJAKSA-N 2 1 331.508 3.198 20 0 EGADMP C[N@H+]1CC[C@@H](c2ccc(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)cc2)C1 ZINC001162967283 1382930762 /nfs/dbraw/zinc/93/07/62/1382930762.db2.gz OBYZTMZUGQFCGH-UYAOXDASSA-N 2 1 343.515 3.066 20 0 EGADMP Cc1[nH+]ccn1CCNc1nccc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001163919957 1383135721 /nfs/dbraw/zinc/13/57/21/1383135721.db2.gz PDVBEPJHIATVEJ-UHFFFAOYSA-N 2 1 347.466 3.257 20 0 EGADMP Cc1[nH+]ccn1CCNc1nccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001163919957 1383135722 /nfs/dbraw/zinc/13/57/22/1383135722.db2.gz PDVBEPJHIATVEJ-UHFFFAOYSA-N 2 1 347.466 3.257 20 0 EGADMP Nc1[nH]c2ccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)cc2[nH+]1 ZINC001164491176 1383192850 /nfs/dbraw/zinc/19/28/50/1383192850.db2.gz CMHGNIKVTAAQDF-KBAYOESNSA-N 2 1 347.466 3.468 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001164514700 1383195230 /nfs/dbraw/zinc/19/52/30/1383195230.db2.gz ROJWWOODTYMUTB-LJQANCHMSA-N 2 1 349.563 3.316 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531223 1383196623 /nfs/dbraw/zinc/19/66/23/1383196623.db2.gz BOIWHYBZBQNSCH-RBUKOAKNSA-N 2 1 349.563 3.317 20 0 EGADMP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531581 1383196934 /nfs/dbraw/zinc/19/69/34/1383196934.db2.gz NUQWGVCTEPEDKX-MOPGFXCFSA-N 2 1 349.563 3.173 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CCC3=CCCCC3)CC2)CC[N@H+]1C ZINC001164583411 1383202195 /nfs/dbraw/zinc/20/21/95/1383202195.db2.gz ZALQITNLWWHZFM-IEBWSBKVSA-N 2 1 347.547 3.093 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)nc1 ZINC001165182301 1383243049 /nfs/dbraw/zinc/24/30/49/1383243049.db2.gz KAXDEHIBESNFSE-ZVDOUQERSA-N 2 1 342.531 3.407 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001165763526 1383341379 /nfs/dbraw/zinc/34/13/79/1383341379.db2.gz AKOWKZXQUXTFOD-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001165764730 1383341725 /nfs/dbraw/zinc/34/17/25/1383341725.db2.gz TYXCPNZVAMWBPL-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001165809548 1383348999 /nfs/dbraw/zinc/34/89/99/1383348999.db2.gz KFWUVFVAELGHAS-UHFFFAOYSA-N 2 1 337.552 3.029 20 0 EGADMP Cc1ccc(NCC2CC[NH+](C(C)C)CC2)c(C[NH+]2CCOCC2)c1 ZINC001166635269 1383451355 /nfs/dbraw/zinc/45/13/55/1383451355.db2.gz ACWYQVJIYKYAMX-UHFFFAOYSA-N 2 1 345.531 3.360 20 0 EGADMP CC[C@H](C)C[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001167377159 1383615345 /nfs/dbraw/zinc/61/53/45/1383615345.db2.gz MONJCLJJRIYBNH-KRWDZBQOSA-N 2 1 348.535 3.319 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]C/C=C/Cl)CC1 ZINC001167471158 1383643083 /nfs/dbraw/zinc/64/30/83/1383643083.db2.gz YFGXDGCSRZKGES-YRNVUSSQSA-N 2 1 343.943 3.127 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+]CC[C@@H]1CCC[C@H](C)C1 ZINC001167475952 1383644746 /nfs/dbraw/zinc/64/47/46/1383644746.db2.gz NWBIWQQMESQDEA-ROUUACIJSA-N 2 1 348.535 3.319 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001167588181 1383681543 /nfs/dbraw/zinc/68/15/43/1383681543.db2.gz FJUMPCHRZAVKEC-UHFFFAOYSA-N 2 1 348.535 3.463 20 0 EGADMP CCC/C=C\CC[NH2+]CCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001167588277 1383681790 /nfs/dbraw/zinc/68/17/90/1383681790.db2.gz JEELUWFOSJEZNL-SREVYHEPSA-N 2 1 334.508 3.239 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001167626681 1383692271 /nfs/dbraw/zinc/69/22/71/1383692271.db2.gz FFNWPKLNXIUDAG-IBGZPJMESA-N 2 1 337.552 3.316 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001167640024 1383695785 /nfs/dbraw/zinc/69/57/85/1383695785.db2.gz KMFNDPRHSMIHPN-GOSISDBHSA-N 2 1 345.531 3.274 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001167815648 1383747486 /nfs/dbraw/zinc/74/74/86/1383747486.db2.gz WRIALDNMYCIFEW-UHFFFAOYSA-N 2 1 337.552 3.175 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC001167824601 1383749454 /nfs/dbraw/zinc/74/94/54/1383749454.db2.gz POLHDMRIIHHTDD-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](Oc2ccnc(OC)c2)C1 ZINC001167836219 1383754219 /nfs/dbraw/zinc/75/42/19/1383754219.db2.gz XTIUZYJFFLAGRD-SJLPKXTDSA-N 2 1 335.492 3.054 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(OC)cn2)C1 ZINC001167835553 1383754376 /nfs/dbraw/zinc/75/43/76/1383754376.db2.gz RHHVYZRVNRUCBS-AEFFLSMTSA-N 2 1 335.492 3.054 20 0 EGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(OC)c1 ZINC001167958506 1383778959 /nfs/dbraw/zinc/77/89/59/1383778959.db2.gz GFAUWYNWAGPLOZ-AYHJJNSGSA-N 2 1 330.472 3.199 20 0 EGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(OC)c1 ZINC001167958506 1383778963 /nfs/dbraw/zinc/77/89/63/1383778963.db2.gz GFAUWYNWAGPLOZ-AYHJJNSGSA-N 2 1 330.472 3.199 20 0 EGADMP [NH3+]CC[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccccc21 ZINC001167966157 1383781805 /nfs/dbraw/zinc/78/18/05/1383781805.db2.gz QYWDIOWYHRVKCT-HTUJPFKRSA-N 2 1 325.500 3.344 20 0 EGADMP COc1ccc2c(c1)c(C[NH3+])nn2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981932 1383786934 /nfs/dbraw/zinc/78/69/34/1383786934.db2.gz PVZPSVMSFRJSHM-XYPWUTKMSA-N 2 1 340.471 3.082 20 0 EGADMP c1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167988241 1383788931 /nfs/dbraw/zinc/78/89/31/1383788931.db2.gz PBBHQXBHFXPVLX-CBQGHPETSA-N 2 1 339.527 3.210 20 0 EGADMP Cc1cccnc1O[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168001938 1383792683 /nfs/dbraw/zinc/79/26/83/1383792683.db2.gz KYPXBKICTXVKFK-XNMUZJSGSA-N 2 1 341.499 3.249 20 0 EGADMP Cc1cccnc1O[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168001938 1383792688 /nfs/dbraw/zinc/79/26/88/1383792688.db2.gz KYPXBKICTXVKFK-XNMUZJSGSA-N 2 1 341.499 3.249 20 0 EGADMP Cc1cccnc1O[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168001938 1383792693 /nfs/dbraw/zinc/79/26/93/1383792693.db2.gz KYPXBKICTXVKFK-XNMUZJSGSA-N 2 1 341.499 3.249 20 0 EGADMP c1cc(O[C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)ccn1 ZINC001168002472 1383793091 /nfs/dbraw/zinc/79/30/91/1383793091.db2.gz TXPAGABJBIYLOU-VHRCFOOQSA-N 2 1 341.499 3.330 20 0 EGADMP c1cc(O[C@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)ccn1 ZINC001168002472 1383793096 /nfs/dbraw/zinc/79/30/96/1383793096.db2.gz TXPAGABJBIYLOU-VHRCFOOQSA-N 2 1 341.499 3.330 20 0 EGADMP c1cc(O[C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)ccn1 ZINC001168002472 1383793099 /nfs/dbraw/zinc/79/30/99/1383793099.db2.gz TXPAGABJBIYLOU-VHRCFOOQSA-N 2 1 341.499 3.330 20 0 EGADMP CCOC(=O)[C@@H]1CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168061548 1383806602 /nfs/dbraw/zinc/80/66/02/1383806602.db2.gz IRRRZGSTSZRXQI-JENIJYKNSA-N 2 1 344.499 3.313 20 0 EGADMP CC[N@H+]1CCN([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C ZINC001168066276 1383809513 /nfs/dbraw/zinc/80/95/13/1383809513.db2.gz MOANYJOKLRZWTF-RCLSDMTESA-N 2 1 329.532 3.454 20 0 EGADMP CC[NH+]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C ZINC001168066276 1383809515 /nfs/dbraw/zinc/80/95/15/1383809515.db2.gz MOANYJOKLRZWTF-RCLSDMTESA-N 2 1 329.532 3.454 20 0 EGADMP CC[NH+]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C ZINC001168066276 1383809517 /nfs/dbraw/zinc/80/95/17/1383809517.db2.gz MOANYJOKLRZWTF-RCLSDMTESA-N 2 1 329.532 3.454 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC([NH+]3CCC(F)CC3)CC1)C2 ZINC001168284174 1383863130 /nfs/dbraw/zinc/86/31/30/1383863130.db2.gz RZXQNPDVJJVMKA-IBGZPJMESA-N 2 1 332.463 3.061 20 0 EGADMP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168314059 1383870771 /nfs/dbraw/zinc/87/07/71/1383870771.db2.gz JDUUCGCXSBSCBI-GTPINHCMSA-N 2 1 339.524 3.191 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001168314299 1383871550 /nfs/dbraw/zinc/87/15/50/1383871550.db2.gz CILDLSFFWOKPRS-ACBHZAAOSA-N 2 1 330.472 3.067 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)CC1 ZINC001168326620 1383873147 /nfs/dbraw/zinc/87/31/47/1383873147.db2.gz CPMQSMLJGYPLNU-RYTJFDOTSA-N 2 1 336.483 3.389 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCCC(C)C)CC1 ZINC001168335669 1383875837 /nfs/dbraw/zinc/87/58/37/1383875837.db2.gz PAPLBQKYBHLGLT-GOSISDBHSA-N 2 1 337.552 3.173 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001168335853 1383877153 /nfs/dbraw/zinc/87/71/53/1383877153.db2.gz WOYUSIOLAWESOJ-SFHVURJKSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001168368646 1383885590 /nfs/dbraw/zinc/88/55/90/1383885590.db2.gz FEOIPMUKKBBOTO-UHFFFAOYSA-N 2 1 348.535 3.428 20 0 EGADMP Fc1ccc(C[N@H+]2CCCN(C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168387408 1383892087 /nfs/dbraw/zinc/89/20/87/1383892087.db2.gz HOVBFOOBBORIRL-UHFFFAOYSA-N 2 1 345.506 3.208 20 0 EGADMP Fc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001168413004 1383900473 /nfs/dbraw/zinc/90/04/73/1383900473.db2.gz VHEVNKXPNYHHRI-FNAHDJPLSA-N 2 1 336.454 3.403 20 0 EGADMP Fc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001168413004 1383900477 /nfs/dbraw/zinc/90/04/77/1383900477.db2.gz VHEVNKXPNYHHRI-FNAHDJPLSA-N 2 1 336.454 3.403 20 0 EGADMP COc1ccc([C@H]2C[C@@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCO2)cc1 ZINC001168590889 1383943637 /nfs/dbraw/zinc/94/36/37/1383943637.db2.gz SLUJGSDNKRSCBJ-HBWRTXEVSA-N 2 1 330.472 3.130 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+][C@H]1CCc2ccccc21 ZINC001168595582 1383944554 /nfs/dbraw/zinc/94/45/54/1383944554.db2.gz LFJRWLIMXUIXRU-FQEVSTJZSA-N 2 1 345.531 3.282 20 0 EGADMP CCC1(CC)CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001307928963 1384058678 /nfs/dbraw/zinc/05/86/78/1384058678.db2.gz PWZJUKFIOSWSQN-IBGZPJMESA-N 2 1 345.531 3.308 20 0 EGADMP C[C@H](O)[C@H]1CCC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001307937633 1384059012 /nfs/dbraw/zinc/05/90/12/1384059012.db2.gz AUMGCSVVJFAKQV-GHTZIAJQSA-N 2 1 330.516 3.176 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCC[NH+]1CCC(Cc3ccccc3)CC1)C2 ZINC001169077887 1384103397 /nfs/dbraw/zinc/10/33/97/1384103397.db2.gz BGDHVTCOZURZBY-DKUWSORSSA-N 2 1 341.543 3.156 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCCCCNC(=O)OC(C)(C)C)C2 ZINC001169093587 1384105773 /nfs/dbraw/zinc/10/57/73/1384105773.db2.gz ITHSYYSDYFMHLA-BJWYYQGGSA-N 2 1 339.524 3.286 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C[C@@H]1C ZINC001308182879 1384106537 /nfs/dbraw/zinc/10/65/37/1384106537.db2.gz YQWSFRUEEYSIDJ-OWSLCNJRSA-N 2 1 335.561 3.451 20 0 EGADMP C[C@@H]1CCC[N@H+](CCN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308198754 1384108131 /nfs/dbraw/zinc/10/81/31/1384108131.db2.gz BJXAEJSYXBEMQX-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308198754 1384108133 /nfs/dbraw/zinc/10/81/33/1384108133.db2.gz BJXAEJSYXBEMQX-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1CCC[NH+](CCN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308198754 1384108134 /nfs/dbraw/zinc/10/81/34/1384108134.db2.gz BJXAEJSYXBEMQX-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1CCC[NH+](CCN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308198754 1384108136 /nfs/dbraw/zinc/10/81/36/1384108136.db2.gz BJXAEJSYXBEMQX-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc(C(=O)OC(C)(C)C)cc1)C2 ZINC001169108165 1384108269 /nfs/dbraw/zinc/10/82/69/1384108269.db2.gz OZDYEIAGLLBDBS-REPLKXPHSA-N 2 1 344.499 3.399 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc(Br)s1)C2 ZINC001169118335 1384108971 /nfs/dbraw/zinc/10/89/71/1384108971.db2.gz HPVJHTATRSYITP-CNDDSTCGSA-N 2 1 329.307 3.268 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169122924 1384110180 /nfs/dbraw/zinc/11/01/80/1384110180.db2.gz GGOWZQSDIQEKJP-JFHUYLGKSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169122924 1384110181 /nfs/dbraw/zinc/11/01/81/1384110181.db2.gz GGOWZQSDIQEKJP-JFHUYLGKSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169122924 1384110182 /nfs/dbraw/zinc/11/01/82/1384110182.db2.gz GGOWZQSDIQEKJP-JFHUYLGKSA-N 2 1 327.516 3.112 20 0 EGADMP CCOC(=O)CC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169128300 1384111423 /nfs/dbraw/zinc/11/14/23/1384111423.db2.gz CLIYUTNHGAPDHZ-REPLKXPHSA-N 2 1 330.472 3.067 20 0 EGADMP CCOC(=O)CC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169128300 1384111426 /nfs/dbraw/zinc/11/14/26/1384111426.db2.gz CLIYUTNHGAPDHZ-REPLKXPHSA-N 2 1 330.472 3.067 20 0 EGADMP CCOC(=O)CC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169128300 1384111427 /nfs/dbraw/zinc/11/14/27/1384111427.db2.gz CLIYUTNHGAPDHZ-REPLKXPHSA-N 2 1 330.472 3.067 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001169131802 1384111446 /nfs/dbraw/zinc/11/14/46/1384111446.db2.gz ZOUUMCKENKCPBA-BJWYYQGGSA-N 2 1 349.519 3.087 20 0 EGADMP Cc1csc([C@H]2C[C@@H]3CC[NH+]([C@H]4C[C@H]5CC[C@@H](C4)[N@H+]5C)C[C@H]3O2)n1 ZINC001169133354 1384112127 /nfs/dbraw/zinc/11/21/27/1384112127.db2.gz DTGVRGFEPFLJQD-DWMDIXPDSA-N 2 1 347.528 3.229 20 0 EGADMP Cc1csc([C@H]2C[C@@H]3CC[NH+]([C@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C)C[C@H]3O2)n1 ZINC001169133354 1384112129 /nfs/dbraw/zinc/11/21/29/1384112129.db2.gz DTGVRGFEPFLJQD-DWMDIXPDSA-N 2 1 347.528 3.229 20 0 EGADMP Cc1csc([C@H]2C[C@@H]3CC[N@@H+]([C@H]4C[C@H]5CC[C@@H](C4)[NH+]5C)C[C@H]3O2)n1 ZINC001169133354 1384112131 /nfs/dbraw/zinc/11/21/31/1384112131.db2.gz DTGVRGFEPFLJQD-DWMDIXPDSA-N 2 1 347.528 3.229 20 0 EGADMP Cc1csc([C@H]2C[C@@H]3CC[N@H+]([C@H]4C[C@H]5CC[C@@H](C4)[NH+]5C)C[C@H]3O2)n1 ZINC001169133354 1384112132 /nfs/dbraw/zinc/11/21/32/1384112132.db2.gz DTGVRGFEPFLJQD-DWMDIXPDSA-N 2 1 347.528 3.229 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(C[NH+](Cc4ccccc4)C3)CC1)C2 ZINC001169155773 1384116594 /nfs/dbraw/zinc/11/65/94/1384116594.db2.gz UNXHHLSZVBCEMW-WKCHPHFGSA-N 2 1 339.527 3.210 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](CC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001169237838 1384125984 /nfs/dbraw/zinc/12/59/84/1384125984.db2.gz AGZTZSGSTJTHRM-IBGZPJMESA-N 2 1 346.515 3.403 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(c3ccc(C(=O)OC)cc3)CC2)CC1 ZINC001169258752 1384128654 /nfs/dbraw/zinc/12/86/54/1384128654.db2.gz QERZMZIXMOWCGP-UHFFFAOYSA-N 2 1 330.472 3.137 20 0 EGADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001169261187 1384128987 /nfs/dbraw/zinc/12/89/87/1384128987.db2.gz CFXWFEYLWWLGQI-SJORKVTESA-N 2 1 339.524 3.238 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001169261187 1384128988 /nfs/dbraw/zinc/12/89/88/1384128988.db2.gz CFXWFEYLWWLGQI-SJORKVTESA-N 2 1 339.524 3.238 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@@H]2C1 ZINC001169297378 1384133688 /nfs/dbraw/zinc/13/36/88/1384133688.db2.gz LNANIKIHGKAQPA-ZMTPEHOPSA-N 2 1 342.483 3.038 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@@H]2C1 ZINC001169297378 1384133690 /nfs/dbraw/zinc/13/36/90/1384133690.db2.gz LNANIKIHGKAQPA-ZMTPEHOPSA-N 2 1 342.483 3.038 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@@H]2C1 ZINC001169297378 1384133694 /nfs/dbraw/zinc/13/36/94/1384133694.db2.gz LNANIKIHGKAQPA-ZMTPEHOPSA-N 2 1 342.483 3.038 20 0 EGADMP C[C@H](CCCC[NH2+]Cc1ccc(CF)cc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169807975 1384187604 /nfs/dbraw/zinc/18/76/04/1384187604.db2.gz AHNHKBTYAJBKRJ-VQIMIIECSA-N 2 1 349.494 3.015 20 0 EGADMP CC[C@@H]1CC([N@@H+]2CCC[C@H]2C[NH3+])C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170465703 1384325756 /nfs/dbraw/zinc/32/57/56/1384325756.db2.gz QYPNLZVJOYGSJF-OAGGEKHMSA-N 2 1 339.524 3.366 20 0 EGADMP CC[C@@H]1CC([N@H+]2CCC[C@H]2C[NH3+])C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170465703 1384325760 /nfs/dbraw/zinc/32/57/60/1384325760.db2.gz QYPNLZVJOYGSJF-OAGGEKHMSA-N 2 1 339.524 3.366 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]C[C@H](C)CC(C)C ZINC001170783851 1384384679 /nfs/dbraw/zinc/38/46/79/1384384679.db2.gz ABPODRSITWYIFP-RTBURBONSA-N 2 1 339.568 3.419 20 0 EGADMP [NH3+]CCCc1[nH+]ccn1[C@H]1CCc2ccc(Br)cc2C1 ZINC001170866993 1384401408 /nfs/dbraw/zinc/40/14/08/1384401408.db2.gz DPAYUXAVOUMERK-HNNXBMFYSA-N 2 1 334.261 3.267 20 0 EGADMP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170870823 1384401889 /nfs/dbraw/zinc/40/18/89/1384401889.db2.gz KAOIIUAIXVAYRC-OZHPBFKBSA-N 2 1 337.552 3.338 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1 ZINC001171122356 1384450215 /nfs/dbraw/zinc/45/02/15/1384450215.db2.gz ZYMODTIQWAANEC-MJGOQNOKSA-N 2 1 337.552 3.316 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)nn1 ZINC001171167302 1384458719 /nfs/dbraw/zinc/45/87/19/1384458719.db2.gz QZQGYLFKBBAPCH-AWEZNQCLSA-N 2 1 346.438 3.113 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1 ZINC001171248313 1384477974 /nfs/dbraw/zinc/47/79/74/1384477974.db2.gz SERGLIOLNYEUQC-HKUYNNGSSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171248914 1384478782 /nfs/dbraw/zinc/47/87/82/1384478782.db2.gz YKYIXMBHUQPNDO-QZTJIDSGSA-N 2 1 348.535 3.461 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](CNC(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001316630835 1384493888 /nfs/dbraw/zinc/49/38/88/1384493888.db2.gz ZGZJEPJAQVHGBH-FCGDIQPGSA-N 2 1 349.563 3.172 20 0 EGADMP Fc1cc(F)c2c(c1)C[C@H]([NH+]1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001171361351 1384502524 /nfs/dbraw/zinc/50/25/24/1384502524.db2.gz WXXLLBDDSHSQDV-QGZVFWFLSA-N 2 1 329.394 3.039 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171542396 1384557996 /nfs/dbraw/zinc/55/79/96/1384557996.db2.gz QAMHDDIMRSJEGD-CQSZACIVSA-N 2 1 326.406 3.235 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3c(C)cccc3C2)CC1 ZINC001171571414 1384567114 /nfs/dbraw/zinc/56/71/14/1384567114.db2.gz XRKCNVDHKDRYNH-RTWAWAEBSA-N 2 1 342.527 3.428 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001171586368 1384572233 /nfs/dbraw/zinc/57/22/33/1384572233.db2.gz NDTCGWAHCHWWCJ-INIZCTEOSA-N 2 1 339.568 3.418 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C ZINC001171586298 1384572260 /nfs/dbraw/zinc/57/22/60/1384572260.db2.gz LFCFQBHJDKWPHJ-GOSISDBHSA-N 2 1 347.547 3.490 20 0 EGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(-n3cccn3)nc2)CC1(C)C ZINC001171625110 1384583639 /nfs/dbraw/zinc/58/36/39/1384583639.db2.gz CFXCVDFIWCBNQL-UHFFFAOYSA-N 2 1 327.476 3.008 20 0 EGADMP COc1cccnc1O[C@@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171640567 1384589819 /nfs/dbraw/zinc/58/98/19/1384589819.db2.gz FJNXZMTZFVAPCI-MRXNPFEDSA-N 2 1 347.503 3.195 20 0 EGADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001171646757 1384592192 /nfs/dbraw/zinc/59/21/92/1384592192.db2.gz PBTFCUMUWZUPHX-ZWKOTPCHSA-N 2 1 325.541 3.027 20 0 EGADMP C[C@@H]1C[C@@H](n2cc(CC[NH3+])c3ncccc32)C[N@H+]1Cc1ccccc1 ZINC001171732880 1384618436 /nfs/dbraw/zinc/61/84/36/1384618436.db2.gz MCRXPFPOFQVGRH-VQIMIIECSA-N 2 1 334.467 3.373 20 0 EGADMP C[C@@H]1C[C@H](N2CCC([NH+](C)C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171758693 1384626517 /nfs/dbraw/zinc/62/65/17/1384626517.db2.gz AFOXMZDGGXQOIN-UTKZUKDTSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@@H]1C[C@H](N2CCC([N@H+](C)C3CC3)CC2)C[NH+]1Cc1ccccc1 ZINC001171758693 1384626519 /nfs/dbraw/zinc/62/65/19/1384626519.db2.gz AFOXMZDGGXQOIN-UTKZUKDTSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@@H]1C[C@H](N2CCC([N@@H+](C)C3CC3)CC2)C[NH+]1Cc1ccccc1 ZINC001171758693 1384626522 /nfs/dbraw/zinc/62/65/22/1384626522.db2.gz AFOXMZDGGXQOIN-UTKZUKDTSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[C@H]([NH+]3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171762344 1384628306 /nfs/dbraw/zinc/62/83/06/1384628306.db2.gz JIXOWKZWUNZRLK-HLAWJBBLSA-N 2 1 327.516 3.210 20 0 EGADMP C[C@@H]1C[C@H](N2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[N@H+]1Cc1ccccc1 ZINC001171769579 1384630303 /nfs/dbraw/zinc/63/03/03/1384630303.db2.gz UOEPNTSVOJUPLV-HZEGPAAWSA-N 2 1 345.506 3.158 20 0 EGADMP C[C@H]1C[C@@H](N2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[N@H+]1Cc1ccccc1 ZINC001171769578 1384630757 /nfs/dbraw/zinc/63/07/57/1384630757.db2.gz UOEPNTSVOJUPLV-FYZZASKESA-N 2 1 345.506 3.158 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001171820787 1384650837 /nfs/dbraw/zinc/65/08/37/1384650837.db2.gz GQKCOSMOPDEEBW-MRXNPFEDSA-N 2 1 334.508 3.036 20 0 EGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171867144 1384666121 /nfs/dbraw/zinc/66/61/21/1384666121.db2.gz UXKPMLADHSBZQA-HXUWFJFHSA-N 2 1 345.531 3.393 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171894851 1384672941 /nfs/dbraw/zinc/67/29/41/1384672941.db2.gz LJUWMKFOUMHOLP-HXUWFJFHSA-N 2 1 343.515 3.099 20 0 EGADMP CC1(C)C[C@@H]([NH2+]CCC(=O)N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171961667 1384696466 /nfs/dbraw/zinc/69/64/66/1384696466.db2.gz AFBRAIMSVBWDSC-IBGZPJMESA-N 2 1 343.515 3.032 20 0 EGADMP C[N@H+]1CCC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969197 1384698668 /nfs/dbraw/zinc/69/86/68/1384698668.db2.gz UJMIUHPKWRTCRR-UXHICEINSA-N 2 1 329.532 3.361 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969197 1384698669 /nfs/dbraw/zinc/69/86/69/1384698669.db2.gz UJMIUHPKWRTCRR-UXHICEINSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969197 1384698671 /nfs/dbraw/zinc/69/86/71/1384698671.db2.gz UJMIUHPKWRTCRR-UXHICEINSA-N 3 1 329.532 3.361 20 0 EGADMP CC1(C)C[C@H]([NH2+]CCN2CCC(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171974620 1384701022 /nfs/dbraw/zinc/70/10/22/1384701022.db2.gz IGYXCJIYEBQZHJ-HXUWFJFHSA-N 2 1 347.522 3.453 20 0 EGADMP CC1(C)C[C@H](NCC[NH+]2CCC(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171974620 1384701025 /nfs/dbraw/zinc/70/10/25/1384701025.db2.gz IGYXCJIYEBQZHJ-HXUWFJFHSA-N 2 1 347.522 3.453 20 0 EGADMP CC1(C)C[C@H](NCC[NH+]2CCC(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171974620 1384701027 /nfs/dbraw/zinc/70/10/27/1384701027.db2.gz IGYXCJIYEBQZHJ-HXUWFJFHSA-N 2 1 347.522 3.453 20 0 EGADMP Cc1nc(CC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)no1 ZINC001171982754 1384703438 /nfs/dbraw/zinc/70/34/38/1384703438.db2.gz TVMHREKLQZZYRB-GOSISDBHSA-N 2 1 342.487 3.296 20 0 EGADMP Cc1nc(CC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)no1 ZINC001171982754 1384703440 /nfs/dbraw/zinc/70/34/40/1384703440.db2.gz TVMHREKLQZZYRB-GOSISDBHSA-N 2 1 342.487 3.296 20 0 EGADMP Cc1nc(CC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)no1 ZINC001171982754 1384703442 /nfs/dbraw/zinc/70/34/42/1384703442.db2.gz TVMHREKLQZZYRB-GOSISDBHSA-N 2 1 342.487 3.296 20 0 EGADMP Cc1nc(CC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)no1 ZINC001171982754 1384703443 /nfs/dbraw/zinc/70/34/43/1384703443.db2.gz TVMHREKLQZZYRB-GOSISDBHSA-N 2 1 342.487 3.296 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171983186 1384703764 /nfs/dbraw/zinc/70/37/64/1384703764.db2.gz VSUVKKQDZDUTQL-QHAWAJNXSA-N 3 1 341.543 3.313 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171983186 1384703767 /nfs/dbraw/zinc/70/37/67/1384703767.db2.gz VSUVKKQDZDUTQL-QHAWAJNXSA-N 3 1 341.543 3.313 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171983186 1384703771 /nfs/dbraw/zinc/70/37/71/1384703771.db2.gz VSUVKKQDZDUTQL-QHAWAJNXSA-N 3 1 341.543 3.313 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCN(Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171983186 1384703776 /nfs/dbraw/zinc/70/37/76/1384703776.db2.gz VSUVKKQDZDUTQL-QHAWAJNXSA-N 2 1 341.543 3.313 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCN(Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171983186 1384703781 /nfs/dbraw/zinc/70/37/81/1384703781.db2.gz VSUVKKQDZDUTQL-QHAWAJNXSA-N 2 1 341.543 3.313 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCN(Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171983186 1384703786 /nfs/dbraw/zinc/70/37/86/1384703786.db2.gz VSUVKKQDZDUTQL-QHAWAJNXSA-N 2 1 341.543 3.313 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCN(Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171983186 1384703790 /nfs/dbraw/zinc/70/37/90/1384703790.db2.gz VSUVKKQDZDUTQL-QHAWAJNXSA-N 2 1 341.543 3.313 20 0 EGADMP Cc1nc(CC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)no1 ZINC001171982756 1384704373 /nfs/dbraw/zinc/70/43/73/1384704373.db2.gz TVMHREKLQZZYRB-SFHVURJKSA-N 2 1 342.487 3.296 20 0 EGADMP Cc1nc(CC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)no1 ZINC001171982756 1384704380 /nfs/dbraw/zinc/70/43/80/1384704380.db2.gz TVMHREKLQZZYRB-SFHVURJKSA-N 2 1 342.487 3.296 20 0 EGADMP Cc1nc(CC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)no1 ZINC001171982756 1384704386 /nfs/dbraw/zinc/70/43/86/1384704386.db2.gz TVMHREKLQZZYRB-SFHVURJKSA-N 2 1 342.487 3.296 20 0 EGADMP Cc1nc(CC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)no1 ZINC001171982756 1384704389 /nfs/dbraw/zinc/70/43/89/1384704389.db2.gz TVMHREKLQZZYRB-SFHVURJKSA-N 2 1 342.487 3.296 20 0 EGADMP CCNC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989265 1384706017 /nfs/dbraw/zinc/70/60/17/1384706017.db2.gz BPRUNQPRYWVPKE-OALUTQOASA-N 2 1 343.515 3.030 20 0 EGADMP CCNC(=O)[C@@H]1CCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989265 1384706018 /nfs/dbraw/zinc/70/60/18/1384706018.db2.gz BPRUNQPRYWVPKE-OALUTQOASA-N 2 1 343.515 3.030 20 0 EGADMP CCNC(=O)[C@@H]1CCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989265 1384706020 /nfs/dbraw/zinc/70/60/20/1384706020.db2.gz BPRUNQPRYWVPKE-OALUTQOASA-N 2 1 343.515 3.030 20 0 EGADMP CCNC(=O)[C@@H]1CCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989265 1384706021 /nfs/dbraw/zinc/70/60/21/1384706021.db2.gz BPRUNQPRYWVPKE-OALUTQOASA-N 2 1 343.515 3.030 20 0 EGADMP COC(=O)[C@]1(C)CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171989898 1384706035 /nfs/dbraw/zinc/70/60/35/1384706035.db2.gz ITWIEILVLMHKQI-GHTZIAJQSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@]1(C)CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171989898 1384706037 /nfs/dbraw/zinc/70/60/37/1384706037.db2.gz ITWIEILVLMHKQI-GHTZIAJQSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@]1(C)CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171989898 1384706039 /nfs/dbraw/zinc/70/60/39/1384706039.db2.gz ITWIEILVLMHKQI-GHTZIAJQSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067782 1384717097 /nfs/dbraw/zinc/71/70/97/1384717097.db2.gz FPETYVIDVDTSDC-YSTOQKLRSA-N 2 1 342.483 3.067 20 0 EGADMP COC(=O)[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172067782 1384717106 /nfs/dbraw/zinc/71/71/06/1384717106.db2.gz FPETYVIDVDTSDC-YSTOQKLRSA-N 2 1 342.483 3.067 20 0 EGADMP COC(=O)[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067782 1384717110 /nfs/dbraw/zinc/71/71/10/1384717110.db2.gz FPETYVIDVDTSDC-YSTOQKLRSA-N 2 1 342.483 3.067 20 0 EGADMP CC(C)(O)[C@H](F)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172071807 1384719020 /nfs/dbraw/zinc/71/90/20/1384719020.db2.gz YXXCDSKHRAEFBY-FCGDIQPGSA-N 2 1 334.479 3.271 20 0 EGADMP CC(C)(O)[C@H](F)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172071807 1384719027 /nfs/dbraw/zinc/71/90/27/1384719027.db2.gz YXXCDSKHRAEFBY-FCGDIQPGSA-N 2 1 334.479 3.271 20 0 EGADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172076288 1384719435 /nfs/dbraw/zinc/71/94/35/1384719435.db2.gz XPDJJJFGUDRMAL-ANWOVWILSA-N 2 1 339.527 3.351 20 0 EGADMP C[NH+]1C[C@H]2CC[C@@H](C1)N2[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076288 1384719442 /nfs/dbraw/zinc/71/94/42/1384719442.db2.gz XPDJJJFGUDRMAL-ANWOVWILSA-N 2 1 339.527 3.351 20 0 EGADMP C[NH+]1C[C@H]2CC[C@@H](C1)N2[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076288 1384719446 /nfs/dbraw/zinc/71/94/46/1384719446.db2.gz XPDJJJFGUDRMAL-ANWOVWILSA-N 2 1 339.527 3.351 20 0 EGADMP Cc1[nH]c(=O)c(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2c1CCCC2 ZINC001172104211 1384727029 /nfs/dbraw/zinc/72/70/29/1384727029.db2.gz ASNHJXZIYJJIHW-MUJYYYPQSA-N 2 1 329.488 3.079 20 0 EGADMP Cc1[nH]c(=O)c(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2c1CCCC2 ZINC001172104211 1384727037 /nfs/dbraw/zinc/72/70/37/1384727037.db2.gz ASNHJXZIYJJIHW-MUJYYYPQSA-N 2 1 329.488 3.079 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(c3ccccc3F)CCOCC1)C2 ZINC001172102903 1384727255 /nfs/dbraw/zinc/72/72/55/1384727255.db2.gz QNJRVJGWLHIYOU-BCDXTJNWSA-N 2 1 346.490 3.479 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCN(Cc3ccc(F)cc3)C1)C2 ZINC001172107672 1384728031 /nfs/dbraw/zinc/72/80/31/1384728031.db2.gz AQZFVYYGUJZACP-WTGUMLROSA-N 2 1 331.479 3.005 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCN(Cc3ccc(F)cc3)C1)C2 ZINC001172107672 1384728033 /nfs/dbraw/zinc/72/80/33/1384728033.db2.gz AQZFVYYGUJZACP-WTGUMLROSA-N 2 1 331.479 3.005 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccccn3)CCOCC1)C2 ZINC001172110144 1384730180 /nfs/dbraw/zinc/73/01/80/1384730180.db2.gz IEVGNHQCMTYOKW-ACDBMABISA-N 2 1 343.515 3.026 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115345 1384731182 /nfs/dbraw/zinc/73/11/82/1384731182.db2.gz WKCVKNZUTKOJOF-JFHUYLGKSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115345 1384731185 /nfs/dbraw/zinc/73/11/85/1384731185.db2.gz WKCVKNZUTKOJOF-JFHUYLGKSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115345 1384731188 /nfs/dbraw/zinc/73/11/88/1384731188.db2.gz WKCVKNZUTKOJOF-JFHUYLGKSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115345 1384731193 /nfs/dbraw/zinc/73/11/93/1384731193.db2.gz WKCVKNZUTKOJOF-JFHUYLGKSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115345 1384731195 /nfs/dbraw/zinc/73/11/95/1384731195.db2.gz WKCVKNZUTKOJOF-JFHUYLGKSA-N 2 1 327.516 3.112 20 0 EGADMP COC(=O)CC[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120495 1384732156 /nfs/dbraw/zinc/73/21/56/1384732156.db2.gz FVLHXWVUTYWBDS-REPLKXPHSA-N 2 1 330.472 3.067 20 0 EGADMP COC(=O)CC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120495 1384732159 /nfs/dbraw/zinc/73/21/59/1384732159.db2.gz FVLHXWVUTYWBDS-REPLKXPHSA-N 2 1 330.472 3.067 20 0 EGADMP COC(=O)CC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120495 1384732163 /nfs/dbraw/zinc/73/21/63/1384732163.db2.gz FVLHXWVUTYWBDS-REPLKXPHSA-N 2 1 330.472 3.067 20 0 EGADMP COC(=O)CC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120495 1384732168 /nfs/dbraw/zinc/73/21/68/1384732168.db2.gz FVLHXWVUTYWBDS-REPLKXPHSA-N 2 1 330.472 3.067 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccc(C(F)(F)F)cn1)C2 ZINC001172119383 1384732974 /nfs/dbraw/zinc/73/29/74/1384732974.db2.gz ZGFFXTWSZSLHBI-MUJYYYPQSA-N 2 1 327.394 3.248 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccccc1OC1CCOCC1)C2 ZINC001172117913 1384733383 /nfs/dbraw/zinc/73/33/83/1384733383.db2.gz ORYFGQINLSTDGA-REPLKXPHSA-N 2 1 344.499 3.349 20 0 EGADMP Cc1cccnc1O[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172133590 1384738561 /nfs/dbraw/zinc/73/85/61/1384738561.db2.gz TXFWZXRJOBSRRI-RDGPPVDQSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1cccnc1O[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172133590 1384738564 /nfs/dbraw/zinc/73/85/64/1384738564.db2.gz TXFWZXRJOBSRRI-RDGPPVDQSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1cccnc1O[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172133590 1384738568 /nfs/dbraw/zinc/73/85/68/1384738568.db2.gz TXFWZXRJOBSRRI-RDGPPVDQSA-N 2 1 329.488 3.249 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001172315183 1384767996 /nfs/dbraw/zinc/76/79/96/1384767996.db2.gz FZQXFBHSYQGVBL-MOPGFXCFSA-N 2 1 347.547 3.117 20 0 EGADMP CC[C@@H](C)OCC[C@H](C)[NH2+]C1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001172319494 1384768903 /nfs/dbraw/zinc/76/89/03/1384768903.db2.gz RHDQEDFFGOWVAR-SCXZOKCQSA-N 2 1 342.524 3.152 20 0 EGADMP CC[C@@H](C)OCC[C@H](C)[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001172356726 1384776560 /nfs/dbraw/zinc/77/65/60/1384776560.db2.gz ZWJKFRCORYKGJL-DLBZAZTESA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@@H](C)OCC[C@H](C)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001172356726 1384776561 /nfs/dbraw/zinc/77/65/61/1384776561.db2.gz ZWJKFRCORYKGJL-DLBZAZTESA-N 2 1 326.525 3.155 20 0 EGADMP CCOCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001172423509 1384789213 /nfs/dbraw/zinc/78/92/13/1384789213.db2.gz IAPLBNFYFNATCN-QIJZPMMNSA-N 2 1 345.531 3.429 20 0 EGADMP CCOCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001172423509 1384789215 /nfs/dbraw/zinc/78/92/15/1384789215.db2.gz IAPLBNFYFNATCN-QIJZPMMNSA-N 2 1 345.531 3.429 20 0 EGADMP CCOCC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001172423509 1384789217 /nfs/dbraw/zinc/78/92/17/1384789217.db2.gz IAPLBNFYFNATCN-QIJZPMMNSA-N 2 1 345.531 3.429 20 0 EGADMP CCOCC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001172423509 1384789219 /nfs/dbraw/zinc/78/92/19/1384789219.db2.gz IAPLBNFYFNATCN-QIJZPMMNSA-N 2 1 345.531 3.429 20 0 EGADMP CCOCC[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001172426185 1384789640 /nfs/dbraw/zinc/78/96/40/1384789640.db2.gz WFXCZHLNHRTBBF-GOSISDBHSA-N 2 1 331.504 3.185 20 0 EGADMP Cc1cc(N([C@@H](C)CCOCC(C)C)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001172479533 1384802216 /nfs/dbraw/zinc/80/22/16/1384802216.db2.gz KBEYMLSETOEXRV-INIZCTEOSA-N 2 1 334.508 3.103 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172611240 1384818944 /nfs/dbraw/zinc/81/89/44/1384818944.db2.gz XURGREGHBWCWEG-RTBURBONSA-N 2 1 344.499 3.363 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])CC1 ZINC001172797131 1384854874 /nfs/dbraw/zinc/85/48/74/1384854874.db2.gz GMOMELLYFLTCIR-UHOSZYNNSA-N 2 1 332.488 3.205 20 0 EGADMP COC(=O)[C@H]1CCC[C@H](N(c2cccc(C)[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001172804257 1384855687 /nfs/dbraw/zinc/85/56/87/1384855687.db2.gz UCWOIMKQEASUIJ-IRXDYDNUSA-N 2 1 345.487 3.070 20 0 EGADMP Cc1ccc2c(c1)C[C@@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CC2 ZINC001172830408 1384861102 /nfs/dbraw/zinc/86/11/02/1384861102.db2.gz IIYIXIIATPJYLY-IBGZPJMESA-N 3 1 331.548 3.328 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172972228 1384892863 /nfs/dbraw/zinc/89/28/63/1384892863.db2.gz UBJWIKUIGUVEIR-INIZCTEOSA-N 2 1 329.529 3.296 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173075829 1384908514 /nfs/dbraw/zinc/90/85/14/1384908514.db2.gz LRMGYMPNMFIMLK-IAGOWNOFSA-N 2 1 341.540 3.438 20 0 EGADMP [NH3+]C1(c2cccc(F)c2)CC[NH+]([C@@H]2CCc3ncsc3C2)CC1 ZINC001173123883 1384919031 /nfs/dbraw/zinc/91/90/31/1384919031.db2.gz ANFUNZAEAPEWDW-OAHLLOKOSA-N 2 1 331.460 3.090 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@H+]2CCCC2CCCC2)CCC1 ZINC001317174945 1384945054 /nfs/dbraw/zinc/94/50/54/1384945054.db2.gz WVDXMSQEDSBCOZ-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC001173269776 1384947986 /nfs/dbraw/zinc/94/79/86/1384947986.db2.gz XTORMEUTZNNEOR-AYWYSENESA-N 2 1 333.564 3.494 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@@H]2CCCC[N@H+]2CCCC2CCC2)CC1 ZINC001317176761 1384949126 /nfs/dbraw/zinc/94/91/26/1384949126.db2.gz OJXPFYLFVMXVID-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)C1 ZINC001173281415 1384951224 /nfs/dbraw/zinc/95/12/24/1384951224.db2.gz YALWBVJEZCNIHM-UEDWAMCQSA-N 2 1 345.535 3.030 20 0 EGADMP CC[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)C1 ZINC001173281415 1384951226 /nfs/dbraw/zinc/95/12/26/1384951226.db2.gz YALWBVJEZCNIHM-UEDWAMCQSA-N 2 1 345.535 3.030 20 0 EGADMP CC[C@@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)C1 ZINC001173281415 1384951228 /nfs/dbraw/zinc/95/12/28/1384951228.db2.gz YALWBVJEZCNIHM-UEDWAMCQSA-N 2 1 345.535 3.030 20 0 EGADMP CC[C@@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)C1 ZINC001173281415 1384951232 /nfs/dbraw/zinc/95/12/32/1384951232.db2.gz YALWBVJEZCNIHM-UEDWAMCQSA-N 2 1 345.535 3.030 20 0 EGADMP COC(=O)CCCC[C@H](C)[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001173451246 1384973408 /nfs/dbraw/zinc/97/34/08/1384973408.db2.gz IXEBHUVHXLMDNI-HNNXBMFYSA-N 2 1 333.476 3.051 20 0 EGADMP CCOC(=O)[C@H]1CC12CCC(n1c[nH+]cc1C1CC[NH2+]CC1)CC2 ZINC001173623533 1384990541 /nfs/dbraw/zinc/99/05/41/1384990541.db2.gz RIKKSORGRDHDII-KOHRHEQBSA-N 2 1 331.460 3.035 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001317220861 1385001544 /nfs/dbraw/zinc/00/15/44/1385001544.db2.gz MRIXBXFENQFJBI-VNCLNFNDSA-N 2 1 349.494 3.246 20 0 EGADMP C[N@H+]1CCCN(CC[NH2+]C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173688507 1385004106 /nfs/dbraw/zinc/00/41/06/1385004106.db2.gz DVCOICZKEIWDCO-UHFFFAOYSA-N 2 1 341.543 3.040 20 0 EGADMP O[C@H](C[NH2+]C1CC[NH+](CC2CCCC2)CC1)c1c(F)cccc1F ZINC001335893399 1388961494 /nfs/dbraw/zinc/96/14/94/1388961494.db2.gz VJBQFIUMKPTGFM-GOSISDBHSA-N 2 1 338.442 3.242 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001317514364 1385228470 /nfs/dbraw/zinc/22/84/70/1385228470.db2.gz VFKOTISYIITYKL-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175271371 1385236215 /nfs/dbraw/zinc/23/62/15/1385236215.db2.gz AKWCXHRHTQZZRJ-LXPRWKDFSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175296847 1385242065 /nfs/dbraw/zinc/24/20/65/1385242065.db2.gz QRFHKWVEDRBAMA-QGZVFWFLSA-N 2 1 339.568 3.419 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175295172 1385242097 /nfs/dbraw/zinc/24/20/97/1385242097.db2.gz DCQMNVCGRBHQAJ-LXPRWKDFSA-N 2 1 339.568 3.275 20 0 EGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001175296439 1385242351 /nfs/dbraw/zinc/24/23/51/1385242351.db2.gz OUNCLUHVCWNFNW-IBGZPJMESA-N 2 1 347.547 3.226 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001317554175 1385318492 /nfs/dbraw/zinc/31/84/92/1385318492.db2.gz UUNMYWISSYYRIZ-UXHICEINSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001317554175 1385318495 /nfs/dbraw/zinc/31/84/95/1385318495.db2.gz UUNMYWISSYYRIZ-UXHICEINSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001317554175 1385318502 /nfs/dbraw/zinc/31/85/02/1385318502.db2.gz UUNMYWISSYYRIZ-UXHICEINSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001317556079 1385325170 /nfs/dbraw/zinc/32/51/70/1385325170.db2.gz AWSHXNIPUSOQMK-FQEVSTJZSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@@H](C(=O)NCC[N@@H+](Cc1c(C)cc(C)cc1C)C1CC1)[NH+](C)C ZINC001317556357 1385325842 /nfs/dbraw/zinc/32/58/42/1385325842.db2.gz CUPONHYYVDAYBI-FQEVSTJZSA-N 2 1 345.531 3.033 20 0 EGADMP c1cc(C[NH+]2CCOCC2)cc(Nc2c[nH+]ccc2N2CCCC2)c1 ZINC001175858195 1385423242 /nfs/dbraw/zinc/42/32/42/1385423242.db2.gz KTIZBMHMXUYWAX-UHFFFAOYSA-N 2 1 338.455 3.258 20 0 EGADMP CC(C)(C)OC(=O)NCc1cc(Nc2ccc(C[NH3+])cc2)cc[nH+]1 ZINC001175965597 1385447148 /nfs/dbraw/zinc/44/71/48/1385447148.db2.gz BDXAVINWTICNCE-UHFFFAOYSA-N 2 1 328.416 3.309 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1cc(C)ccc1C ZINC001176022990 1385463217 /nfs/dbraw/zinc/46/32/17/1385463217.db2.gz FAOKWDKQYAGDIB-LJQANCHMSA-N 2 1 347.547 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCF ZINC001176112322 1385487995 /nfs/dbraw/zinc/48/79/95/1385487995.db2.gz POEAKPSNMYVPAH-ROUUACIJSA-N 2 1 343.531 3.265 20 0 EGADMP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176165788 1385500699 /nfs/dbraw/zinc/50/06/99/1385500699.db2.gz OSABHXDQEIBIBJ-MJGOQNOKSA-N 2 1 335.536 3.093 20 0 EGADMP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001176165419 1385500711 /nfs/dbraw/zinc/50/07/11/1385500711.db2.gz KWCTVILLPNMQKQ-UYAOXDASSA-N 2 1 345.531 3.101 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1CC ZINC001176279970 1385536952 /nfs/dbraw/zinc/53/69/52/1385536952.db2.gz URMAUTWQLHAMCK-GOSISDBHSA-N 2 1 347.547 3.355 20 0 EGADMP COCC[C@@H](c1ccccc1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001176280335 1385537575 /nfs/dbraw/zinc/53/75/75/1385537575.db2.gz AGYQLFXIYMMRKP-PXNSSMCTSA-N 2 1 325.456 3.370 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001176564855 1385626373 /nfs/dbraw/zinc/62/63/73/1385626373.db2.gz SAGWSCMUKYGUAP-MOPGFXCFSA-N 2 1 345.531 3.020 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001318300971 1385645734 /nfs/dbraw/zinc/64/57/34/1385645734.db2.gz IJBSZAGMALDQBF-ZYHOBAKYSA-N 2 1 335.536 3.044 20 0 EGADMP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+](CCC3CCCCCC3)C2)CCC1 ZINC001318337854 1385654507 /nfs/dbraw/zinc/65/45/07/1385654507.db2.gz IITUBVQYJYYBOF-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CCc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001176754409 1385685164 /nfs/dbraw/zinc/68/51/64/1385685164.db2.gz UNUKCBOZXFEXSC-SFHVURJKSA-N 2 1 347.547 3.354 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCCCF ZINC001176759619 1385686865 /nfs/dbraw/zinc/68/68/65/1385686865.db2.gz LWYFGEVACWXTSD-QZTJIDSGSA-N 2 1 343.531 3.265 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176820817 1385714087 /nfs/dbraw/zinc/71/40/87/1385714087.db2.gz WWDSFPCCAKSESB-IBGZPJMESA-N 2 1 345.531 3.349 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176820817 1385714092 /nfs/dbraw/zinc/71/40/92/1385714092.db2.gz WWDSFPCCAKSESB-IBGZPJMESA-N 2 1 345.531 3.349 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001318487948 1385720377 /nfs/dbraw/zinc/72/03/77/1385720377.db2.gz YEYVFGPATITGHD-VAMGGRTRSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001318487948 1385720380 /nfs/dbraw/zinc/72/03/80/1385720380.db2.gz YEYVFGPATITGHD-VAMGGRTRSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001318487948 1385720384 /nfs/dbraw/zinc/72/03/84/1385720384.db2.gz YEYVFGPATITGHD-VAMGGRTRSA-N 2 1 349.563 3.364 20 0 EGADMP CCCc1ccc(C[NH2+]CCCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001176844911 1385722111 /nfs/dbraw/zinc/72/21/11/1385722111.db2.gz ORIHPRGKSBJVJO-HDICACEKSA-N 2 1 345.531 3.108 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001176856779 1385725107 /nfs/dbraw/zinc/72/51/07/1385725107.db2.gz NRZAMTFIHDDBMX-KRVVSLAESA-N 2 1 343.515 3.059 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001176856777 1385725135 /nfs/dbraw/zinc/72/51/35/1385725135.db2.gz NRZAMTFIHDDBMX-ACOFZUGVSA-N 2 1 343.515 3.059 20 0 EGADMP CCCc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC001176986517 1385764230 /nfs/dbraw/zinc/76/42/30/1385764230.db2.gz QFGYOTNZDZADRP-HXUWFJFHSA-N 2 1 345.531 3.109 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001176991411 1385765838 /nfs/dbraw/zinc/76/58/38/1385765838.db2.gz ATKISXPVWLHHDL-UXHICEINSA-N 2 1 343.515 3.034 20 0 EGADMP CC[C@H](CNC(=O)Cn1cc[nH+]c1C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC001318582655 1385771231 /nfs/dbraw/zinc/77/12/31/1385771231.db2.gz SUQYSQISQKSCOK-FUHWJXTLSA-N 2 1 342.487 3.252 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CCCC(C)(C)C)c1ccccc1 ZINC001177016653 1385772848 /nfs/dbraw/zinc/77/28/48/1385772848.db2.gz MYRBWNLYGOLOEM-GOSISDBHSA-N 2 1 333.520 3.212 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001177016788 1385773190 /nfs/dbraw/zinc/77/31/90/1385773190.db2.gz RHJGWOWSPQADHZ-IEBWSBKVSA-N 2 1 333.520 3.067 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C[NH2+][C@H](C)c2cccc(C)c2)CCCC1 ZINC001318664133 1385824030 /nfs/dbraw/zinc/82/40/30/1385824030.db2.gz JUOXHSPKSQHISN-GOSISDBHSA-N 2 1 345.531 3.416 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177335585 1385917458 /nfs/dbraw/zinc/91/74/58/1385917458.db2.gz HBGXVELRJJKNRT-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)Cn1c[nH+]cc1C ZINC001177368424 1385931610 /nfs/dbraw/zinc/93/16/10/1385931610.db2.gz GTNJWZOVDUOJTO-KRWDZBQOSA-N 2 1 348.535 3.236 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(CCC[NH2+]CCC2CC2)CC2CCCC2)C1 ZINC001177415580 1385949025 /nfs/dbraw/zinc/94/90/25/1385949025.db2.gz DBUTZEHPVKUXJA-SFHVURJKSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001177416226 1385949442 /nfs/dbraw/zinc/94/94/42/1385949442.db2.gz WPUUUPCFBNHHQM-ICSRJNTNSA-N 2 1 349.563 3.149 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(CCC[NH2+]C/C=C/Cl)CC1CCCC1 ZINC001177456380 1385963077 /nfs/dbraw/zinc/96/30/77/1385963077.db2.gz STEFFQDAYSLVAT-IZZDOVSWSA-N 2 1 343.943 3.079 20 0 EGADMP CC/C=C\CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001177477839 1385971200 /nfs/dbraw/zinc/97/12/00/1385971200.db2.gz NGVUXMXRENKSQS-BBIZLLLXSA-N 2 1 349.563 3.293 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001178045675 1386116082 /nfs/dbraw/zinc/11/60/82/1386116082.db2.gz RSBUTLYUWIFOTR-WOJBJXKFSA-N 2 1 343.515 3.034 20 0 EGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178484069 1386232137 /nfs/dbraw/zinc/23/21/37/1386232137.db2.gz NSKMCWVKHQOXER-QZPVUJMKSA-N 2 1 349.563 3.483 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CCCC(C)(C)C)CC[N@H+]1C ZINC001178521751 1386241088 /nfs/dbraw/zinc/24/10/88/1386241088.db2.gz CXVSZLZUXCZOBP-QZTJIDSGSA-N 2 1 339.568 3.419 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCCCCC[NH2+]C/C=C\Cl ZINC001178692803 1386278818 /nfs/dbraw/zinc/27/88/18/1386278818.db2.gz BPNFJOHVVXLKLB-SECOEOQKSA-N 2 1 343.943 3.268 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001178693515 1386279528 /nfs/dbraw/zinc/27/95/28/1386279528.db2.gz UZDVBUHFLYKDHJ-LJQANCHMSA-N 2 1 335.536 3.070 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]([NH2+]CC(CC)CC)[C@@H]1C ZINC001178736262 1386292895 /nfs/dbraw/zinc/29/28/95/1386292895.db2.gz RQZBKVQZBMEKII-RYRKJORJSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178810347 1386313690 /nfs/dbraw/zinc/31/36/90/1386313690.db2.gz CUQPKDBKVKQLAR-MOPGFXCFSA-N 2 1 335.536 3.236 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001178811410 1386314382 /nfs/dbraw/zinc/31/43/82/1386314382.db2.gz UYBQOKDTZPVHGA-OALUTQOASA-N 2 1 335.536 3.070 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001178833069 1386322187 /nfs/dbraw/zinc/32/21/87/1386322187.db2.gz OUVHYWYIHQHQMA-RBUKOAKNSA-N 2 1 339.568 3.419 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178891409 1386340552 /nfs/dbraw/zinc/34/05/52/1386340552.db2.gz RTXOKDUZNOUKSR-FHWLQOOXSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001319919738 1386391813 /nfs/dbraw/zinc/39/18/13/1386391813.db2.gz XBDKSFWRVJKHMX-BEFAXECRSA-N 2 1 349.494 3.101 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C(C)C ZINC001319957627 1386418938 /nfs/dbraw/zinc/41/89/38/1386418938.db2.gz QZAVVAPYNJDMTF-WOJBJXKFSA-N 2 1 345.531 3.136 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001179337048 1386454676 /nfs/dbraw/zinc/45/46/76/1386454676.db2.gz HKOMYVDGUIAIQQ-WDSOQIARSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001179580307 1386521534 /nfs/dbraw/zinc/52/15/34/1386521534.db2.gz DKFQQVASEQPPCK-GOSISDBHSA-N 2 1 335.536 3.237 20 0 EGADMP C[C@H]([NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC001179580662 1386522749 /nfs/dbraw/zinc/52/27/49/1386522749.db2.gz LSMLIWMLRJGVNG-MOPGFXCFSA-N 2 1 345.531 3.498 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001179590703 1386525767 /nfs/dbraw/zinc/52/57/67/1386525767.db2.gz KZFUFVDEVPHVQK-IEBWSBKVSA-N 2 1 337.552 3.031 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179634394 1386536997 /nfs/dbraw/zinc/53/69/97/1386536997.db2.gz RNKZACYIOJXACZ-RDJZCZTQSA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001179655394 1386541974 /nfs/dbraw/zinc/54/19/74/1386541974.db2.gz XZAGODJYDIBCEC-UXHICEINSA-N 2 1 345.531 3.006 20 0 EGADMP CC[C@H](F)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001179746213 1386569889 /nfs/dbraw/zinc/56/98/89/1386569889.db2.gz QZCUWVFMYAZYRQ-ROUUACIJSA-N 2 1 343.531 3.264 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)[C@@H]1C ZINC001179852373 1386607351 /nfs/dbraw/zinc/60/73/51/1386607351.db2.gz LWXNGKGBNZJJDZ-HBFSDRIKSA-N 2 1 345.531 3.285 20 0 EGADMP CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001179926495 1386633121 /nfs/dbraw/zinc/63/31/21/1386633121.db2.gz YMVRFFJUIRGUIU-QRWLVFNGSA-N 2 1 331.479 3.340 20 0 EGADMP CN(C)c1ccc(F)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001179926495 1386633129 /nfs/dbraw/zinc/63/31/29/1386633129.db2.gz YMVRFFJUIRGUIU-QRWLVFNGSA-N 2 1 331.479 3.340 20 0 EGADMP CN(C)c1ccc(F)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001179926495 1386633135 /nfs/dbraw/zinc/63/31/35/1386633135.db2.gz YMVRFFJUIRGUIU-QRWLVFNGSA-N 2 1 331.479 3.340 20 0 EGADMP CN(C)c1ccc(F)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001179926495 1386633138 /nfs/dbraw/zinc/63/31/38/1386633138.db2.gz YMVRFFJUIRGUIU-QRWLVFNGSA-N 2 1 331.479 3.340 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001179989219 1386659523 /nfs/dbraw/zinc/65/95/23/1386659523.db2.gz VAUFZSYTOBRRGG-CEXWTWQISA-N 2 1 337.552 3.031 20 0 EGADMP CCC/C=C\CC[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001180060497 1386683784 /nfs/dbraw/zinc/68/37/84/1386683784.db2.gz FHOWNWDZQOIENO-VOFKWLDRSA-N 2 1 337.552 3.341 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCCCCCC[NH2+]CC2CC(C)(C)C2)C1 ZINC001180060591 1386684035 /nfs/dbraw/zinc/68/40/35/1386684035.db2.gz IUKXDDSXBHRNFR-KRWDZBQOSA-N 2 1 337.552 3.031 20 0 EGADMP C[C@@H]([NH2+]CCCCCCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001180065728 1386685312 /nfs/dbraw/zinc/68/53/12/1386685312.db2.gz ZUTFZEXVKSTYEA-RTBURBONSA-N 2 1 345.531 3.356 20 0 EGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)CC[N@H+](C)CCC ZINC001180118128 1386702616 /nfs/dbraw/zinc/70/26/16/1386702616.db2.gz WOVPPZYGJOYULU-SREVYHEPSA-N 2 1 325.541 3.341 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]C[C@@H](C)CC(C)C ZINC001180124346 1386704644 /nfs/dbraw/zinc/70/46/44/1386704644.db2.gz VJSPAWBKFIKVJV-SFHVURJKSA-N 2 1 327.557 3.277 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)CC1 ZINC001180142379 1386711972 /nfs/dbraw/zinc/71/19/72/1386711972.db2.gz NYWYBLIAAXNHMC-RTBURBONSA-N 2 1 329.532 3.313 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCCCCC[NH2+][C@@H](C)c1ccccc1 ZINC001180274845 1386752213 /nfs/dbraw/zinc/75/22/13/1386752213.db2.gz YOMKXEKPFVLWJB-KRWDZBQOSA-N 2 1 342.487 3.219 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001180452192 1386800807 /nfs/dbraw/zinc/80/08/07/1386800807.db2.gz PSFALAJCDGKQGX-LJQANCHMSA-N 2 1 347.547 3.431 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001180452192 1386800813 /nfs/dbraw/zinc/80/08/13/1386800813.db2.gz PSFALAJCDGKQGX-LJQANCHMSA-N 2 1 347.547 3.431 20 0 EGADMP C[C@H](C[N@@H+](C)C/C=C\c1ccccc1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001322245112 1387118255 /nfs/dbraw/zinc/11/82/55/1387118255.db2.gz TXONASAQLWWWOC-ADYSOMBNSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H](C[NH+](C)C/C=C\c1ccccc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001322245112 1387118261 /nfs/dbraw/zinc/11/82/61/1387118261.db2.gz TXONASAQLWWWOC-ADYSOMBNSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H](C[NH+](C)C/C=C\c1ccccc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001322245112 1387118265 /nfs/dbraw/zinc/11/82/65/1387118265.db2.gz TXONASAQLWWWOC-ADYSOMBNSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001182614729 1387197208 /nfs/dbraw/zinc/19/72/08/1387197208.db2.gz OMSZETFMQWITID-LVCYWYKZSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001182814451 1387229295 /nfs/dbraw/zinc/22/92/95/1387229295.db2.gz WATCNFINXFUWSK-WSTZPKSXSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc2ccccc2c1)[NH+](C)C ZINC001329591577 1389171064 /nfs/dbraw/zinc/17/10/64/1389171064.db2.gz CKCKINPJUIUQHE-JXFKEZNVSA-N 2 1 341.499 3.117 20 0 EGADMP CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1cccc2ccccc21)[NH+](C)C ZINC001329593045 1389172659 /nfs/dbraw/zinc/17/26/59/1389172659.db2.gz XLRGCGSHSYJLCX-JXFKEZNVSA-N 2 1 341.499 3.117 20 0 EGADMP CC[NH+](CC)C1CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC001329862535 1389239331 /nfs/dbraw/zinc/23/93/31/1389239331.db2.gz JAWCYLMGRDHZJP-SFHVURJKSA-N 2 1 347.528 3.296 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(Cl)c(F)c1 ZINC001330608575 1389468685 /nfs/dbraw/zinc/46/86/85/1389468685.db2.gz QJDWABMWUAXPBK-LBPRGKRZSA-N 2 1 328.859 3.365 20 0 EGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC001331420314 1389741301 /nfs/dbraw/zinc/74/13/01/1389741301.db2.gz VPUSECZRRXUJST-AWEZNQCLSA-N 2 1 333.863 3.402 20 0 EGADMP CCc1cccc(C[N@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c1 ZINC001332201205 1390037984 /nfs/dbraw/zinc/03/79/84/1390037984.db2.gz VXEVNLRHMIWYDI-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCOc1ccc(C[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1OC ZINC001332395116 1390104793 /nfs/dbraw/zinc/10/47/93/1390104793.db2.gz FDLUFIFGDYNMRI-UHFFFAOYSA-N 2 1 346.496 3.433 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC(C)(C)C[NH3+])cc1 ZINC001340034758 1390212077 /nfs/dbraw/zinc/21/20/77/1390212077.db2.gz XFOVKOCWJYTITA-MRXNPFEDSA-N 2 1 331.504 3.052 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(O[C@H]4CCOC4)cc3)C[C@@H]2C1 ZINC001333891393 1390431515 /nfs/dbraw/zinc/43/15/15/1390431515.db2.gz LRVURQFIGSUEFY-HDAAZOAOSA-N 2 1 344.499 3.016 20 0 EGADMP Cn1cc(C[N@H+]2C[C@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(C2CCCC2)n1 ZINC001335582970 1390706198 /nfs/dbraw/zinc/70/61/98/1390706198.db2.gz OSCQVYGUPLGVOJ-ZHALLVOQSA-N 2 1 330.520 3.240 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001344430663 1390790959 /nfs/dbraw/zinc/79/09/59/1390790959.db2.gz YNCBAMOBYWFHBW-YESZJQIVSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001351934835 1391719834 /nfs/dbraw/zinc/71/98/34/1391719834.db2.gz KCFVXSWLBFXGPF-LTIDMASMSA-N 2 1 339.524 3.142 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC2(CC1)CC[NH+](C)CC2)c1ccccc1 ZINC001352036021 1391749273 /nfs/dbraw/zinc/74/92/73/1391749273.db2.gz WHFKKANTGDVCKR-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC001698847984 1406550129 /nfs/dbraw/zinc/55/01/29/1406550129.db2.gz LZRTYAIGLJNBBW-DLBZAZTESA-N 2 1 342.487 3.169 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001479503280 1392259341 /nfs/dbraw/zinc/25/93/41/1392259341.db2.gz NDHTXCBAJPHOJQ-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC[C@H](C[N@@H+](C)CCC2CCCC2)C1 ZINC001480083200 1392573304 /nfs/dbraw/zinc/57/33/04/1392573304.db2.gz AFDQQLQYEWXAQM-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001480388666 1392733833 /nfs/dbraw/zinc/73/38/33/1392733833.db2.gz ZDSIOTFFCGWSSZ-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001480388666 1392733836 /nfs/dbraw/zinc/73/38/36/1392733836.db2.gz ZDSIOTFFCGWSSZ-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001480388666 1392733837 /nfs/dbraw/zinc/73/38/37/1392733837.db2.gz ZDSIOTFFCGWSSZ-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001480388666 1392733841 /nfs/dbraw/zinc/73/38/41/1392733841.db2.gz ZDSIOTFFCGWSSZ-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001480388670 1392734095 /nfs/dbraw/zinc/73/40/95/1392734095.db2.gz ZDSIOTFFCGWSSZ-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001480388670 1392734096 /nfs/dbraw/zinc/73/40/96/1392734096.db2.gz ZDSIOTFFCGWSSZ-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001480388670 1392734097 /nfs/dbraw/zinc/73/40/97/1392734097.db2.gz ZDSIOTFFCGWSSZ-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001480388670 1392734098 /nfs/dbraw/zinc/73/40/98/1392734098.db2.gz ZDSIOTFFCGWSSZ-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP C[NH+](CCC(=O)NCC[N@H+](C)Cc1cccc(F)c1)C1CCCCC1 ZINC001480894729 1393003887 /nfs/dbraw/zinc/00/38/87/1393003887.db2.gz JEHBLVOYYKFFOC-UHFFFAOYSA-N 2 1 349.494 3.028 20 0 EGADMP C[NH+](CCNC(=O)CC[N@H+](C)C1CCCCC1)Cc1cccc(F)c1 ZINC001480894729 1393003892 /nfs/dbraw/zinc/00/38/92/1393003892.db2.gz JEHBLVOYYKFFOC-UHFFFAOYSA-N 2 1 349.494 3.028 20 0 EGADMP C[NH+](CCNC(=O)CC[N@@H+](C)C1CCCCC1)Cc1cccc(F)c1 ZINC001480894729 1393003896 /nfs/dbraw/zinc/00/38/96/1393003896.db2.gz JEHBLVOYYKFFOC-UHFFFAOYSA-N 2 1 349.494 3.028 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001480920479 1393020894 /nfs/dbraw/zinc/02/08/94/1393020894.db2.gz QXAFPLZWAPUZMQ-ICSRJNTNSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](CC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001480979120 1393063766 /nfs/dbraw/zinc/06/37/66/1393063766.db2.gz WRQPCRYUOSELFS-SFHVURJKSA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@@H](C(=O)NCC[N@@H+](CC)Cc1cccc2ccccc21)[NH+](C)C ZINC001481012632 1393088677 /nfs/dbraw/zinc/08/86/77/1393088677.db2.gz RDGGBLUOHPACIY-FQEVSTJZSA-N 2 1 341.499 3.118 20 0 EGADMP CC[N@H+](C/C=C/c1ccccc1)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001481019529 1393095218 /nfs/dbraw/zinc/09/52/18/1393095218.db2.gz WFELMLDXFGTCEZ-XEDBTPMOSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C/C=C/c1ccccc1)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001481019529 1393095223 /nfs/dbraw/zinc/09/52/23/1393095223.db2.gz WFELMLDXFGTCEZ-XEDBTPMOSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C/C=C/c1ccccc1)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001481019529 1393095226 /nfs/dbraw/zinc/09/52/26/1393095226.db2.gz WFELMLDXFGTCEZ-XEDBTPMOSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001481333372 1393165547 /nfs/dbraw/zinc/16/55/47/1393165547.db2.gz CQCXSBBZLUTNNF-QGZVFWFLSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CC(NC(=O)CCC[NH+]3CCCCC3)C2)c1 ZINC001481603939 1394418306 /nfs/dbraw/zinc/41/83/06/1394418306.db2.gz ZDXAQBUFJYZQHL-GOSISDBHSA-N 2 1 343.515 3.123 20 0 EGADMP C[C@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001491299631 1394501433 /nfs/dbraw/zinc/50/14/33/1394501433.db2.gz HPVUDXCIZBNZKE-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1)[NH+](C)C ZINC001484716078 1395477294 /nfs/dbraw/zinc/47/72/94/1395477294.db2.gz CBUXBMAJVKDHFT-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@@H+](C)Cc1cccc(F)c1 ZINC001485303367 1395780600 /nfs/dbraw/zinc/78/06/00/1395780600.db2.gz QIFMUMSPLRLTAJ-INIZCTEOSA-N 2 1 349.494 3.027 20 0 EGADMP Cc1ccc(C[N@H+](C)CCN(C)C(=O)CCC[NH+]2CCCC2)cc1C ZINC001699004632 1406824988 /nfs/dbraw/zinc/82/49/88/1406824988.db2.gz WFSUIAVSXPDGBJ-UHFFFAOYSA-N 2 1 345.531 3.070 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCCC1 ZINC001495949456 1396575484 /nfs/dbraw/zinc/57/54/84/1396575484.db2.gz OHMMVCMPIKGLKS-AYAUWGRQSA-N 2 1 341.927 3.020 20 0 EGADMP Cc1cccc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001496154015 1396615482 /nfs/dbraw/zinc/61/54/82/1396615482.db2.gz LTFMGFINFKIHKD-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP CC(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001689909698 1404202501 /nfs/dbraw/zinc/20/25/01/1404202501.db2.gz RVLAJQQYWWDCOK-IAGOWNOFSA-N 2 1 334.508 3.022 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)CCc2cnc[nH]2)CC1 ZINC001690023230 1404261618 /nfs/dbraw/zinc/26/16/18/1404261618.db2.gz JJQNUWHFRCFADN-INIZCTEOSA-N 2 1 340.471 3.026 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001690458537 1404588870 /nfs/dbraw/zinc/58/88/70/1404588870.db2.gz DTKGMDMSVISDBS-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001690490811 1404604344 /nfs/dbraw/zinc/60/43/44/1404604344.db2.gz FKCDEFDFKAZCSM-RBUKOAKNSA-N 2 1 335.536 3.118 20 0 EGADMP CC(C)(C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)[NH+]1CCCCC1 ZINC001691079361 1405014476 /nfs/dbraw/zinc/01/44/76/1405014476.db2.gz KFZCGFGAKCZBOC-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1c(C)cccc1C ZINC001691183938 1405121427 /nfs/dbraw/zinc/12/14/27/1405121427.db2.gz VCJDNGYENJZTAV-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1c(C)cccc1C ZINC001691183938 1405121430 /nfs/dbraw/zinc/12/14/30/1405121430.db2.gz VCJDNGYENJZTAV-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCCN(C(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001691855829 1405572590 /nfs/dbraw/zinc/57/25/90/1405572590.db2.gz BBEHBXROOMOKSV-LJQANCHMSA-N 2 1 337.552 3.362 20 0 EGADMP CCCN(C(=O)CC[N@H+](C)C1CCCCC1)[C@@H]1CC[NH+](C(C)C)C1 ZINC001691855829 1405572593 /nfs/dbraw/zinc/57/25/93/1405572593.db2.gz BBEHBXROOMOKSV-LJQANCHMSA-N 2 1 337.552 3.362 20 0 EGADMP CCCN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH+](C(C)C)C1 ZINC001691855829 1405572595 /nfs/dbraw/zinc/57/25/95/1405572595.db2.gz BBEHBXROOMOKSV-LJQANCHMSA-N 2 1 337.552 3.362 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@H](N(C)C(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001698562644 1406163016 /nfs/dbraw/zinc/16/30/16/1406163016.db2.gz KQWJHJVOPIJSBZ-XLIONFOSSA-N 2 1 343.515 3.073 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CC[C@H](N(C)C(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001698562644 1406163019 /nfs/dbraw/zinc/16/30/19/1406163019.db2.gz KQWJHJVOPIJSBZ-XLIONFOSSA-N 2 1 343.515 3.073 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CC[C@H](N(C)C(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001698562644 1406163022 /nfs/dbraw/zinc/16/30/22/1406163022.db2.gz KQWJHJVOPIJSBZ-XLIONFOSSA-N 2 1 343.515 3.073 20 0 EGADMP CCN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001698586421 1406204299 /nfs/dbraw/zinc/20/42/99/1406204299.db2.gz CMWXHAOLZULTAD-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001732154204 1428397460 /nfs/dbraw/zinc/39/74/60/1428397460.db2.gz FTRPXMNXMXHCNL-QYZOEREBSA-N 2 1 349.494 3.054 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001732359597 1428547592 /nfs/dbraw/zinc/54/75/92/1428547592.db2.gz CPKQZYFUHOAKPV-SJLPKXTDSA-N 2 1 347.547 3.376 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001699190832 1412563472 /nfs/dbraw/zinc/56/34/72/1412563472.db2.gz WPBPHMLRTKBMLI-ICSRJNTNSA-N 2 1 345.531 3.306 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001699699477 1413111274 /nfs/dbraw/zinc/11/12/74/1413111274.db2.gz DOAVDXALVCZRDU-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001699853023 1413283033 /nfs/dbraw/zinc/28/30/33/1413283033.db2.gz GQTPCYITBJBIDR-OXQOHEQNSA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001700101877 1413519819 /nfs/dbraw/zinc/51/98/19/1413519819.db2.gz VXHDVFIJCRVTKC-BJLQDIEVSA-N 2 1 349.563 3.314 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)CC1)C1CCC1 ZINC001700178941 1413589418 /nfs/dbraw/zinc/58/94/18/1413589418.db2.gz MDKJNHLHKPPJRA-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)CC1)C1CCC1 ZINC001700178941 1413589422 /nfs/dbraw/zinc/58/94/22/1413589422.db2.gz MDKJNHLHKPPJRA-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)CC1)C1CCC1 ZINC001700178941 1413589424 /nfs/dbraw/zinc/58/94/24/1413589424.db2.gz MDKJNHLHKPPJRA-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001700183794 1413600474 /nfs/dbraw/zinc/60/04/74/1413600474.db2.gz HCLHCDUZQKHRFS-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CN(CCC[N@@H+](C)CC1CCC1)C(=O)c1sccc1C[NH+](C)C ZINC001700196479 1413638283 /nfs/dbraw/zinc/63/82/83/1413638283.db2.gz YTNFFFDBKKLFQX-UHFFFAOYSA-N 2 1 337.533 3.004 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001700361852 1413876452 /nfs/dbraw/zinc/87/64/52/1413876452.db2.gz HXTZOKORONRYBV-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001700361852 1413876457 /nfs/dbraw/zinc/87/64/57/1413876457.db2.gz HXTZOKORONRYBV-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001700361852 1413876463 /nfs/dbraw/zinc/87/64/63/1413876463.db2.gz HXTZOKORONRYBV-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)[C@@H](C)c1ccccc1 ZINC001700363395 1413882271 /nfs/dbraw/zinc/88/22/71/1413882271.db2.gz JOSBUCXAINUZJQ-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)[C@@H](C)c1ccccc1 ZINC001700363395 1413882274 /nfs/dbraw/zinc/88/22/74/1413882274.db2.gz JOSBUCXAINUZJQ-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001700363395 1413882280 /nfs/dbraw/zinc/88/22/80/1413882280.db2.gz JOSBUCXAINUZJQ-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001700459794 1414054747 /nfs/dbraw/zinc/05/47/47/1414054747.db2.gz DZOSKUFROKWGHT-AEFFLSMTSA-N 2 1 331.504 3.059 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001732973589 1429100655 /nfs/dbraw/zinc/10/06/55/1429100655.db2.gz BBHLYSUZBFGJJL-IAGOWNOFSA-N 2 1 342.487 3.170 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001733044291 1429176101 /nfs/dbraw/zinc/17/61/01/1429176101.db2.gz GTNHVIDXGYTONJ-QFBILLFUSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001733044291 1429176105 /nfs/dbraw/zinc/17/61/05/1429176105.db2.gz GTNHVIDXGYTONJ-QFBILLFUSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001733044291 1429176108 /nfs/dbraw/zinc/17/61/08/1429176108.db2.gz GTNHVIDXGYTONJ-QFBILLFUSA-N 2 1 331.504 3.059 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001707447354 1417351053 /nfs/dbraw/zinc/35/10/53/1417351053.db2.gz QSVPJBZKRCSYGD-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001713060740 1417616462 /nfs/dbraw/zinc/61/64/62/1417616462.db2.gz IWCGLVQDMVTDGY-XCJDPYLSSA-N 2 1 347.547 3.330 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001713060740 1417616463 /nfs/dbraw/zinc/61/64/63/1417616463.db2.gz IWCGLVQDMVTDGY-XCJDPYLSSA-N 2 1 347.547 3.330 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001713060740 1417616467 /nfs/dbraw/zinc/61/64/67/1417616467.db2.gz IWCGLVQDMVTDGY-XCJDPYLSSA-N 2 1 347.547 3.330 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713061129 1417617445 /nfs/dbraw/zinc/61/74/45/1417617445.db2.gz SQPYAUFPNQIZFZ-QWNKOJSDSA-N 2 1 335.536 3.188 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713396625 1418013535 /nfs/dbraw/zinc/01/35/35/1418013535.db2.gz FLZVUJJMNFOUQM-GOSISDBHSA-N 2 1 339.568 3.323 20 0 EGADMP CCC(CC)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001713396625 1418013538 /nfs/dbraw/zinc/01/35/38/1418013538.db2.gz FLZVUJJMNFOUQM-GOSISDBHSA-N 2 1 339.568 3.323 20 0 EGADMP CCC(CC)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001713396625 1418013543 /nfs/dbraw/zinc/01/35/43/1418013543.db2.gz FLZVUJJMNFOUQM-GOSISDBHSA-N 2 1 339.568 3.323 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@@H+](C)CCNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001713465510 1418127397 /nfs/dbraw/zinc/12/73/97/1418127397.db2.gz VVLRBLMSXFQDJT-KRWDZBQOSA-N 2 1 345.531 3.261 20 0 EGADMP Cc1cc(C)c(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCC[N@H+]2C)c(C)c1 ZINC001733108424 1429245614 /nfs/dbraw/zinc/24/56/14/1429245614.db2.gz IEWFBLWPSVMWTM-FQEVSTJZSA-N 2 1 345.531 3.034 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001713737248 1418533205 /nfs/dbraw/zinc/53/32/05/1418533205.db2.gz BPXHARCZEPTOPA-IBGZPJMESA-N 2 1 337.552 3.127 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001713737248 1418533212 /nfs/dbraw/zinc/53/32/12/1418533212.db2.gz BPXHARCZEPTOPA-IBGZPJMESA-N 2 1 337.552 3.127 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001713737248 1418533216 /nfs/dbraw/zinc/53/32/16/1418533216.db2.gz BPXHARCZEPTOPA-IBGZPJMESA-N 2 1 337.552 3.127 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001713793424 1418612771 /nfs/dbraw/zinc/61/27/71/1418612771.db2.gz GFYUIGQCRPBIFH-FQEVSTJZSA-N 2 1 349.563 3.413 20 0 EGADMP CN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001714004390 1418783341 /nfs/dbraw/zinc/78/33/41/1418783341.db2.gz RMBOGEARAVPURH-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)C[N@H+](C)C1CCC1)[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001714004390 1418783343 /nfs/dbraw/zinc/78/33/43/1418783343.db2.gz RMBOGEARAVPURH-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)C[N@@H+](C)C1CCC1)[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001714004390 1418783344 /nfs/dbraw/zinc/78/33/44/1418783344.db2.gz RMBOGEARAVPURH-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCn1ccnc1 ZINC001714145711 1418949612 /nfs/dbraw/zinc/94/96/12/1418949612.db2.gz RFMOSTVUPUEBJZ-RTBURBONSA-N 2 1 346.519 3.309 20 0 EGADMP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001714149062 1418955366 /nfs/dbraw/zinc/95/53/66/1418955366.db2.gz CEUKJTOOBAWWKC-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Cc1ccccc1C(C)C ZINC001714591500 1419338705 /nfs/dbraw/zinc/33/87/05/1419338705.db2.gz BZHYXNLJNHFNRV-SFHVURJKSA-N 2 1 345.531 3.090 20 0 EGADMP CC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)Cc1ccccc1C(C)C ZINC001714591500 1419338708 /nfs/dbraw/zinc/33/87/08/1419338708.db2.gz BZHYXNLJNHFNRV-SFHVURJKSA-N 2 1 345.531 3.090 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001714728423 1419485679 /nfs/dbraw/zinc/48/56/79/1419485679.db2.gz UIHSNYVBFYNQMD-LPHOPBHVSA-N 2 1 349.494 3.055 20 0 EGADMP Cc1ccccc1C[N@H+](C)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001714912799 1419661212 /nfs/dbraw/zinc/66/12/12/1419661212.db2.gz PUXLQTNTDPOUOG-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC(C(C)(C)C)CC2)CC1 ZINC001733239833 1429382031 /nfs/dbraw/zinc/38/20/31/1429382031.db2.gz BLFXFVFMDDWOHN-ABHNRTSZSA-N 2 1 349.563 3.172 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+][C@@H](C)c1ccccc1 ZINC001715238543 1419968435 /nfs/dbraw/zinc/96/84/35/1419968435.db2.gz ZQWIFULQNLHWAH-ICSRJNTNSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001716507345 1420738359 /nfs/dbraw/zinc/73/83/59/1420738359.db2.gz CKWKLEAQOYQPAM-QUCCMNQESA-N 2 1 345.531 3.450 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CCC1CC1)C1CCCCCC1 ZINC001733275341 1429438607 /nfs/dbraw/zinc/43/86/07/1429438607.db2.gz GJFXLAVSIWTUEU-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CCC1CC1)C1CCCCCC1 ZINC001733275341 1429438610 /nfs/dbraw/zinc/43/86/10/1429438610.db2.gz GJFXLAVSIWTUEU-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CCC1CC1)C1CCCCCC1 ZINC001733275341 1429438611 /nfs/dbraw/zinc/43/86/11/1429438611.db2.gz GJFXLAVSIWTUEU-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001716662915 1420816406 /nfs/dbraw/zinc/81/64/06/1420816406.db2.gz OUYCIFXZTWIXCB-MOPGFXCFSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001716662915 1420816411 /nfs/dbraw/zinc/81/64/11/1420816411.db2.gz OUYCIFXZTWIXCB-MOPGFXCFSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001716662915 1420816414 /nfs/dbraw/zinc/81/64/14/1420816414.db2.gz OUYCIFXZTWIXCB-MOPGFXCFSA-N 2 1 345.531 3.306 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001716672291 1420828826 /nfs/dbraw/zinc/82/88/26/1420828826.db2.gz ZIFAWVNCWIRVPC-IBGZPJMESA-N 2 1 335.536 3.023 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001716877648 1421002932 /nfs/dbraw/zinc/00/29/32/1421002932.db2.gz FEAUGNGAEXNTEM-UZLBHIALSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC[NH2+]C(C)C)Cc2ccccc2)C1 ZINC001717007380 1421075295 /nfs/dbraw/zinc/07/52/95/1421075295.db2.gz ZBTRWUKVFYXBJH-FQEVSTJZSA-N 2 1 345.531 3.135 20 0 EGADMP C[N@@H+](CC(=O)NCC1([NH2+]CC2CCCCCC2)CCC1)C1CCC1 ZINC001717151772 1421142364 /nfs/dbraw/zinc/14/23/64/1421142364.db2.gz BNYIWAAAZLKISV-UHFFFAOYSA-N 2 1 335.536 3.070 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001717338916 1421276696 /nfs/dbraw/zinc/27/66/96/1421276696.db2.gz FJEHZTGAHLANCT-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)CC1(C)C)[NH+](C)C ZINC001717585852 1421513385 /nfs/dbraw/zinc/51/33/85/1421513385.db2.gz YZHIUXYJNYJAAS-ROUUACIJSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@H]2C)cs1 ZINC001717852712 1421664407 /nfs/dbraw/zinc/66/44/07/1421664407.db2.gz DTUTWBGCNCPGLM-CRAIPNDOSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@H]2C)cs1 ZINC001717852712 1421664409 /nfs/dbraw/zinc/66/44/09/1421664409.db2.gz DTUTWBGCNCPGLM-CRAIPNDOSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@H]2C)cs1 ZINC001717852712 1421664412 /nfs/dbraw/zinc/66/44/12/1421664412.db2.gz DTUTWBGCNCPGLM-CRAIPNDOSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+](C)C3CCC3)[C@H]2C)cs1 ZINC001717852717 1421664498 /nfs/dbraw/zinc/66/44/98/1421664498.db2.gz DTUTWBGCNCPGLM-QAPCUYQASA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@H](NC(=O)C[N@H+](C)C3CCC3)[C@H]2C)cs1 ZINC001717852717 1421664500 /nfs/dbraw/zinc/66/45/00/1421664500.db2.gz DTUTWBGCNCPGLM-QAPCUYQASA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@H](NC(=O)C[N@@H+](C)C3CCC3)[C@H]2C)cs1 ZINC001717852717 1421664503 /nfs/dbraw/zinc/66/45/03/1421664503.db2.gz DTUTWBGCNCPGLM-QAPCUYQASA-N 2 1 349.544 3.010 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(F)cc2)[C@H]1C ZINC001717860908 1421673810 /nfs/dbraw/zinc/67/38/10/1421673810.db2.gz RFSRLIABEGBGGL-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2)[C@H]1C ZINC001717860908 1421673812 /nfs/dbraw/zinc/67/38/12/1421673812.db2.gz RFSRLIABEGBGGL-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)[C@H]1C ZINC001717860908 1421673815 /nfs/dbraw/zinc/67/38/15/1421673815.db2.gz RFSRLIABEGBGGL-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1 ZINC001733353058 1429533666 /nfs/dbraw/zinc/53/36/66/1429533666.db2.gz YTLWESGUASWXIV-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001724205386 1424732583 /nfs/dbraw/zinc/73/25/83/1424732583.db2.gz VKZQZDKGRHUHJW-NQIIRXRSSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH+]1CCC(C)(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001724300378 1424783512 /nfs/dbraw/zinc/78/35/12/1424783512.db2.gz DXRUFEMKGQUMHD-UHFFFAOYSA-N 2 1 334.508 3.025 20 0 EGADMP CN(CCC[N@@H+](C)CCC1CC1)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001724851598 1425215435 /nfs/dbraw/zinc/21/54/35/1425215435.db2.gz NLHZCMUZPKFUSA-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CN(CCC[NH+](C)CCC1CC1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001724851598 1425215437 /nfs/dbraw/zinc/21/54/37/1425215437.db2.gz NLHZCMUZPKFUSA-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CN(CCC[NH+](C)CCC1CC1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001724851598 1425215441 /nfs/dbraw/zinc/21/54/41/1425215441.db2.gz NLHZCMUZPKFUSA-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCc1ccccc1C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001725003205 1425414981 /nfs/dbraw/zinc/41/49/81/1425414981.db2.gz OLOZLTQJONPWLJ-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](CCCC1CCC1)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001725025617 1425443638 /nfs/dbraw/zinc/44/36/38/1425443638.db2.gz HJEFUTMIAXVGAB-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CCCC1CCC1)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001725025617 1425443646 /nfs/dbraw/zinc/44/36/46/1425443646.db2.gz HJEFUTMIAXVGAB-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CCCC1CCC1)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001725025617 1425443649 /nfs/dbraw/zinc/44/36/49/1425443649.db2.gz HJEFUTMIAXVGAB-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@@H+](CCCC1CCC1)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001725045613 1425475669 /nfs/dbraw/zinc/47/56/69/1425475669.db2.gz XNGKNBBVJZNMFA-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001725056198 1425493036 /nfs/dbraw/zinc/49/30/36/1425493036.db2.gz RYPRFXRBMXWFFX-MOPGFXCFSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001725056198 1425493042 /nfs/dbraw/zinc/49/30/42/1425493042.db2.gz RYPRFXRBMXWFFX-MOPGFXCFSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001725056198 1425493047 /nfs/dbraw/zinc/49/30/47/1425493047.db2.gz RYPRFXRBMXWFFX-MOPGFXCFSA-N 2 1 337.552 3.079 20 0 EGADMP CCc1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001725179264 1425701604 /nfs/dbraw/zinc/70/16/04/1425701604.db2.gz HHBQSDJXAUZUQV-KRWDZBQOSA-N 2 1 347.547 3.163 20 0 EGADMP CCc1ccccc1C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001725179264 1425701611 /nfs/dbraw/zinc/70/16/11/1425701611.db2.gz HHBQSDJXAUZUQV-KRWDZBQOSA-N 2 1 347.547 3.163 20 0 EGADMP CCc1ccccc1C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001725179264 1425701615 /nfs/dbraw/zinc/70/16/15/1425701615.db2.gz HHBQSDJXAUZUQV-KRWDZBQOSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2CC)C[C@@H]1C ZINC001725582113 1426237557 /nfs/dbraw/zinc/23/75/57/1426237557.db2.gz CLODJJJHBYOCSS-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001731506940 1427494741 /nfs/dbraw/zinc/49/47/41/1427494741.db2.gz NHEAXWJSSTWGRH-FQEVSTJZSA-N 2 1 349.563 3.271 20 0 EGADMP CCC(CC)C[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001731523648 1427512275 /nfs/dbraw/zinc/51/22/75/1427512275.db2.gz SQMGSZWZTTWTQJ-GOSISDBHSA-N 2 1 339.568 3.229 20 0 EGADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC1CCCCCC1 ZINC001731773275 1427887931 /nfs/dbraw/zinc/88/79/31/1427887931.db2.gz VCWSWGKFNLVVEZ-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CC1CCCCCC1 ZINC001731773275 1427887936 /nfs/dbraw/zinc/88/79/36/1427887936.db2.gz VCWSWGKFNLVVEZ-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)CC1CCCCCC1 ZINC001731773275 1427887938 /nfs/dbraw/zinc/88/79/38/1427887938.db2.gz VCWSWGKFNLVVEZ-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CCCc1ccc(C[N@@H+](C)CCNC(=O)[C@H]2CCCC[NH+]2CC)cc1 ZINC001731796239 1427949410 /nfs/dbraw/zinc/94/94/10/1427949410.db2.gz XHLDQEABSKDFBT-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCCc1ccc(C[NH+](C)CCNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001731796239 1427949416 /nfs/dbraw/zinc/94/94/16/1427949416.db2.gz XHLDQEABSKDFBT-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCCc1ccc(C[NH+](C)CCNC(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC001731796239 1427949417 /nfs/dbraw/zinc/94/94/17/1427949417.db2.gz XHLDQEABSKDFBT-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCCc1ccc(C[N@@H+](C)CCNC(=O)[C@@H]2CCCC[NH+]2CC)cc1 ZINC001731796238 1427950291 /nfs/dbraw/zinc/95/02/91/1427950291.db2.gz XHLDQEABSKDFBT-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCCc1ccc(C[NH+](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001731796238 1427950296 /nfs/dbraw/zinc/95/02/96/1427950296.db2.gz XHLDQEABSKDFBT-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCCc1ccc(C[NH+](C)CCNC(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC001731796238 1427950302 /nfs/dbraw/zinc/95/03/02/1427950302.db2.gz XHLDQEABSKDFBT-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)c1cccc(F)c1 ZINC001731864193 1428108037 /nfs/dbraw/zinc/10/80/37/1428108037.db2.gz GYJWVAMLCZKXMT-GPMSIDNRSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H](C)c1cccc(F)c1 ZINC001731864193 1428108039 /nfs/dbraw/zinc/10/80/39/1428108039.db2.gz GYJWVAMLCZKXMT-GPMSIDNRSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H](C)c1cccc(F)c1 ZINC001731864193 1428108043 /nfs/dbraw/zinc/10/80/43/1428108043.db2.gz GYJWVAMLCZKXMT-GPMSIDNRSA-N 2 1 349.494 3.055 20 0 EGADMP C[NH+](CC(=O)NCC[N@H+](CC1CCC(C)(C)CC1)C1CC1)C1CCC1 ZINC001731876209 1428139910 /nfs/dbraw/zinc/13/99/10/1428139910.db2.gz DDFVPMXEWXFWGZ-UHFFFAOYSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)NCC[N@@H+](CC1CCC(C)(C)CC1)C1CC1)C1CCC1 ZINC001731876209 1428139912 /nfs/dbraw/zinc/13/99/12/1428139912.db2.gz DDFVPMXEWXFWGZ-UHFFFAOYSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1CC1CCCCC1 ZINC001733902345 1437720625 /nfs/dbraw/zinc/72/06/25/1437720625.db2.gz RLUIUOAMPXRFEU-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001734017350 1437807387 /nfs/dbraw/zinc/80/73/87/1437807387.db2.gz JFCHDQGHGYYTKA-KRWDZBQOSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]([NH2+]CCC1CCCC1)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001752147609 1440146497 /nfs/dbraw/zinc/14/64/97/1440146497.db2.gz VPIAJHMUDKFTAI-FXAWDEMLSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1ccc(C)cc1 ZINC001752181765 1440151160 /nfs/dbraw/zinc/15/11/60/1440151160.db2.gz KHSZGTYGYATKDQ-HXUWFJFHSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)Cc1ccc(C)cc1 ZINC001752181765 1440151162 /nfs/dbraw/zinc/15/11/62/1440151162.db2.gz KHSZGTYGYATKDQ-HXUWFJFHSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)Cc1ccc(C)cc1 ZINC001752181765 1440151163 /nfs/dbraw/zinc/15/11/63/1440151163.db2.gz KHSZGTYGYATKDQ-HXUWFJFHSA-N 2 1 345.531 3.196 20 0 EGADMP CCC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001752303551 1440168275 /nfs/dbraw/zinc/16/82/75/1440168275.db2.gz ULICXNCYKPBGTQ-OVKVCFKUSA-N 2 1 335.536 3.140 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C1CC[NH+](C(C)C)CC1 ZINC001752439118 1440180666 /nfs/dbraw/zinc/18/06/66/1440180666.db2.gz DOOGUAPISRMVIP-UHFFFAOYSA-N 2 1 334.508 3.118 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001752526437 1440192964 /nfs/dbraw/zinc/19/29/64/1440192964.db2.gz UVROEUNQDTUWHU-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001752698755 1440201518 /nfs/dbraw/zinc/20/15/18/1440201518.db2.gz QNGWGGIXWFQPEV-IHWFROFDSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001752698755 1440201519 /nfs/dbraw/zinc/20/15/19/1440201519.db2.gz QNGWGGIXWFQPEV-IHWFROFDSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001752698755 1440201520 /nfs/dbraw/zinc/20/15/20/1440201520.db2.gz QNGWGGIXWFQPEV-IHWFROFDSA-N 2 1 343.515 3.030 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC[C@@H]2C[N@@H+](CCC3CCCC3)CC[C@H]21 ZINC001752709155 1440203187 /nfs/dbraw/zinc/20/31/87/1440203187.db2.gz ZDECMHWDZDLTIZ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001752809551 1440216353 /nfs/dbraw/zinc/21/63/53/1440216353.db2.gz GPWDWOFATNJCMU-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC001752819167 1440219400 /nfs/dbraw/zinc/21/94/00/1440219400.db2.gz PZUBRDSITHMPIQ-SJORKVTESA-N 2 1 334.508 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC001752819167 1440219401 /nfs/dbraw/zinc/21/94/01/1440219401.db2.gz PZUBRDSITHMPIQ-SJORKVTESA-N 2 1 334.508 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CCCC[N@@H+]1CCC1CC1 ZINC001752818977 1440219493 /nfs/dbraw/zinc/21/94/93/1440219493.db2.gz MQWRHJSDDGWMJA-FUHWJXTLSA-N 2 1 346.519 3.167 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CCCC[N@H+]1CCC1CC1 ZINC001752818977 1440219494 /nfs/dbraw/zinc/21/94/94/1440219494.db2.gz MQWRHJSDDGWMJA-FUHWJXTLSA-N 2 1 346.519 3.167 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@H]1CCCC[N@H+]1CCC1=CCCCC1 ZINC001752820075 1440220047 /nfs/dbraw/zinc/22/00/47/1440220047.db2.gz IXAPYAMCYFICRL-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001752822345 1440221351 /nfs/dbraw/zinc/22/13/51/1440221351.db2.gz FJYNCUFZSPHJOH-PRPIBZDOSA-N 2 1 349.563 3.435 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001752825207 1440223278 /nfs/dbraw/zinc/22/32/78/1440223278.db2.gz NHQNHKOTLOVNSQ-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001752828065 1440224400 /nfs/dbraw/zinc/22/44/00/1440224400.db2.gz YTPGPKCFLQXHHT-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001752939254 1440250782 /nfs/dbraw/zinc/25/07/82/1440250782.db2.gz YGDLFCFBOAJOLD-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001752993115 1440260326 /nfs/dbraw/zinc/26/03/26/1440260326.db2.gz ARIIBEDFYXEFRC-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001752993115 1440260327 /nfs/dbraw/zinc/26/03/27/1440260327.db2.gz ARIIBEDFYXEFRC-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001752993115 1440260328 /nfs/dbraw/zinc/26/03/28/1440260328.db2.gz ARIIBEDFYXEFRC-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001753020306 1440269732 /nfs/dbraw/zinc/26/97/32/1440269732.db2.gz JHTCNRNLCPGONE-IAGOWNOFSA-N 2 1 345.531 3.061 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC001753020181 1440269782 /nfs/dbraw/zinc/26/97/82/1440269782.db2.gz FDXHLKLRPLWMGR-HUUCEWRRSA-N 2 1 339.911 3.226 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753032638 1440273401 /nfs/dbraw/zinc/27/34/01/1440273401.db2.gz UEBVIJXTGJNANI-SFHVURJKSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CCC1 ZINC001753039911 1440275886 /nfs/dbraw/zinc/27/58/86/1440275886.db2.gz MQVSEXZQHWAHQK-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCC1 ZINC001753039911 1440275887 /nfs/dbraw/zinc/27/58/87/1440275887.db2.gz MQVSEXZQHWAHQK-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCC1 ZINC001753039911 1440275888 /nfs/dbraw/zinc/27/58/88/1440275888.db2.gz MQVSEXZQHWAHQK-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)CCNC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC001753068230 1440286699 /nfs/dbraw/zinc/28/66/99/1440286699.db2.gz VVTMKBHDEUMJGP-QGZVFWFLSA-N 2 1 342.487 3.124 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)CCNC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC001753068230 1440286700 /nfs/dbraw/zinc/28/67/00/1440286700.db2.gz VVTMKBHDEUMJGP-QGZVFWFLSA-N 2 1 342.487 3.124 20 0 EGADMP CC[N@@H+](CCNC(=O)C1(C[NH+](C)C)CCCCC1)CC1=CCCCC1 ZINC001753086146 1440296419 /nfs/dbraw/zinc/29/64/19/1440296419.db2.gz GAGLHDAQOHVNOW-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H](C)c1cc(C)ccc1C ZINC001753086620 1440296450 /nfs/dbraw/zinc/29/64/50/1440296450.db2.gz AEIKOJIDZXUBNG-GOSISDBHSA-N 2 1 345.531 3.144 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001753136350 1440318857 /nfs/dbraw/zinc/31/88/57/1440318857.db2.gz UIIQCILDLAYVJF-PMACEKPBSA-N 2 1 345.531 3.054 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)c1cccc(F)c1 ZINC001753209108 1440339106 /nfs/dbraw/zinc/33/91/06/1440339106.db2.gz ZTSPAHMONSCRPB-VQIMIIECSA-N 2 1 349.494 3.055 20 0 EGADMP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001753314525 1440358502 /nfs/dbraw/zinc/35/85/02/1440358502.db2.gz HGZQORDUZAYSBI-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001753314525 1440358503 /nfs/dbraw/zinc/35/85/03/1440358503.db2.gz HGZQORDUZAYSBI-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001753314525 1440358504 /nfs/dbraw/zinc/35/85/04/1440358504.db2.gz HGZQORDUZAYSBI-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001753319123 1440361923 /nfs/dbraw/zinc/36/19/23/1440361923.db2.gz ASYVZRMRPBIHOU-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCN(C(=O)CC[N@H+](C)CC)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001753319123 1440361924 /nfs/dbraw/zinc/36/19/24/1440361924.db2.gz ASYVZRMRPBIHOU-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001753319123 1440361925 /nfs/dbraw/zinc/36/19/25/1440361925.db2.gz ASYVZRMRPBIHOU-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CC[N@@H+](C[C@@H](C)CC)C1 ZINC001753325509 1440366382 /nfs/dbraw/zinc/36/63/82/1440366382.db2.gz BPRZWMGZJMRERU-ZWKOTPCHSA-N 2 1 339.568 3.323 20 0 EGADMP CCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1CC[NH+](C[C@@H](C)CC)C1 ZINC001753325509 1440366383 /nfs/dbraw/zinc/36/63/83/1440366383.db2.gz BPRZWMGZJMRERU-ZWKOTPCHSA-N 2 1 339.568 3.323 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1CC[NH+](C[C@@H](C)CC)C1 ZINC001753325509 1440366384 /nfs/dbraw/zinc/36/63/84/1440366384.db2.gz BPRZWMGZJMRERU-ZWKOTPCHSA-N 2 1 339.568 3.323 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001753328458 1440367831 /nfs/dbraw/zinc/36/78/31/1440367831.db2.gz TWNSNEOXAHSJNY-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001753328458 1440367832 /nfs/dbraw/zinc/36/78/32/1440367832.db2.gz TWNSNEOXAHSJNY-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001753328458 1440367833 /nfs/dbraw/zinc/36/78/33/1440367833.db2.gz TWNSNEOXAHSJNY-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001753337258 1440373057 /nfs/dbraw/zinc/37/30/57/1440373057.db2.gz JYYISOHGATTZAO-IBGZPJMESA-N 2 1 343.515 3.156 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001753350452 1440377687 /nfs/dbraw/zinc/37/76/87/1440377687.db2.gz JQWHLPCVJMBCAK-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001753444545 1440403085 /nfs/dbraw/zinc/40/30/85/1440403085.db2.gz SWJBCAOAYKQYGM-IEBWSBKVSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001753444545 1440403086 /nfs/dbraw/zinc/40/30/86/1440403086.db2.gz SWJBCAOAYKQYGM-IEBWSBKVSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001753444545 1440403087 /nfs/dbraw/zinc/40/30/87/1440403087.db2.gz SWJBCAOAYKQYGM-IEBWSBKVSA-N 2 1 345.531 3.258 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](CC)[NH2+]Cc2ccc(C)cc2)C1 ZINC001753485436 1440417689 /nfs/dbraw/zinc/41/76/89/1440417689.db2.gz XSTMSCSWBBXGLQ-WOJBJXKFSA-N 2 1 345.531 3.101 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC1(C[NH2+]CCC2CCCCC2)CCCC1 ZINC001753512040 1440426274 /nfs/dbraw/zinc/42/62/74/1440426274.db2.gz RYMZTCDOGGPBBH-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)C[NH2+]CCC(C)(C)C ZINC001753644714 1440455469 /nfs/dbraw/zinc/45/54/69/1440455469.db2.gz LMRCLVRZQWWBKI-AEFFLSMTSA-N 2 1 333.520 3.067 20 0 EGADMP CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CCC)CC2 ZINC001753673209 1440462795 /nfs/dbraw/zinc/46/27/95/1440462795.db2.gz BEGDBOFBNBADJU-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]CC3CCC(C)(C)CC3)CCCC2)C1 ZINC001753679609 1440464274 /nfs/dbraw/zinc/46/42/74/1440464274.db2.gz WMKHKBMUUDPORI-SFHVURJKSA-N 2 1 349.563 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C)cc1C ZINC001753695593 1440467420 /nfs/dbraw/zinc/46/74/20/1440467420.db2.gz SURIIWRJYZDITE-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)[NH2+]C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC001753750024 1440482300 /nfs/dbraw/zinc/48/23/00/1440482300.db2.gz WDPSNKVUMWQPOT-FQEVSTJZSA-N 2 1 345.531 3.182 20 0 EGADMP CC(C)[NH2+]C[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C1CCCCC1 ZINC001753750024 1440482301 /nfs/dbraw/zinc/48/23/01/1440482301.db2.gz WDPSNKVUMWQPOT-FQEVSTJZSA-N 2 1 345.531 3.182 20 0 EGADMP CC(C)C[NH2+]CC[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001753784917 1440487965 /nfs/dbraw/zinc/48/79/65/1440487965.db2.gz MCYGFAODFBISFA-QGZVFWFLSA-N 2 1 334.508 3.023 20 0 EGADMP Cc1cccc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)c1 ZINC001753787513 1440488365 /nfs/dbraw/zinc/48/83/65/1440488365.db2.gz GEWZAENVHWGKJR-HXUWFJFHSA-N 2 1 345.531 3.196 20 0 EGADMP CC(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001753814969 1440493507 /nfs/dbraw/zinc/49/35/07/1440493507.db2.gz HWDFPKLRQDGPOW-ZWKOTPCHSA-N 2 1 339.568 3.227 20 0 EGADMP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1cccc(Cl)c1 ZINC001754122266 1440542879 /nfs/dbraw/zinc/54/28/79/1440542879.db2.gz ZBUKRMXKGRMJTR-INUTWKSMSA-N 2 1 349.906 3.003 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cc(C)sc1C ZINC001754131276 1440543686 /nfs/dbraw/zinc/54/36/86/1440543686.db2.gz ZCHMUJMADQTRBL-DUMMIQTOSA-N 2 1 349.544 3.001 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCC1CCCCC1 ZINC001754213369 1440551421 /nfs/dbraw/zinc/55/14/21/1440551421.db2.gz LEPZQKXRTVFXLV-IHHMQQGQSA-N 2 1 335.536 3.093 20 0 EGADMP C[C@@H](C[NH2+]Cc1ccccc1C1CC1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001754270846 1440561542 /nfs/dbraw/zinc/56/15/42/1440561542.db2.gz RRQCZVFAARHGMN-LPHOPBHVSA-N 2 1 343.515 3.033 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001754313474 1440574335 /nfs/dbraw/zinc/57/43/35/1440574335.db2.gz WVWXZTRWPKXICV-KXBFYZLASA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001754313474 1440574336 /nfs/dbraw/zinc/57/43/36/1440574336.db2.gz WVWXZTRWPKXICV-KXBFYZLASA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001754313474 1440574337 /nfs/dbraw/zinc/57/43/37/1440574337.db2.gz WVWXZTRWPKXICV-KXBFYZLASA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC1=CCCCC1 ZINC001754314059 1440574547 /nfs/dbraw/zinc/57/45/47/1440574547.db2.gz JRQRNFNFAZJIIO-HKUYNNGSSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1=CCCCC1 ZINC001754314059 1440574548 /nfs/dbraw/zinc/57/45/48/1440574548.db2.gz JRQRNFNFAZJIIO-HKUYNNGSSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1=CCCCC1 ZINC001754314059 1440574549 /nfs/dbraw/zinc/57/45/49/1440574549.db2.gz JRQRNFNFAZJIIO-HKUYNNGSSA-N 2 1 335.536 3.044 20 0 EGADMP CCCc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001754379345 1440593291 /nfs/dbraw/zinc/59/32/91/1440593291.db2.gz QZJWSJQUZLYSLF-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001754493310 1440610942 /nfs/dbraw/zinc/61/09/42/1440610942.db2.gz UTILPSCVYVPJCG-VQIMIIECSA-N 2 1 331.504 3.013 20 0 EGADMP CCCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001754540247 1440625904 /nfs/dbraw/zinc/62/59/04/1440625904.db2.gz XPQFZNTXKLYRIN-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001754540247 1440625905 /nfs/dbraw/zinc/62/59/05/1440625905.db2.gz XPQFZNTXKLYRIN-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001754540247 1440625906 /nfs/dbraw/zinc/62/59/06/1440625906.db2.gz XPQFZNTXKLYRIN-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC2(C1)CC[NH+](CC1CCCCC1)CC2 ZINC001754561286 1440633699 /nfs/dbraw/zinc/63/36/99/1440633699.db2.gz OIKDMTMVCZJRCC-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001754578515 1440638200 /nfs/dbraw/zinc/63/82/00/1440638200.db2.gz KHLMMHYRYXSHFA-QUCCMNQESA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001754578515 1440638201 /nfs/dbraw/zinc/63/82/01/1440638201.db2.gz KHLMMHYRYXSHFA-QUCCMNQESA-N 2 1 343.515 3.155 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001754598647 1440642027 /nfs/dbraw/zinc/64/20/27/1440642027.db2.gz KHWPRCSPSXDLEG-IRXDYDNUSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C[C@H]1C ZINC001754601954 1440642628 /nfs/dbraw/zinc/64/26/28/1440642628.db2.gz WWHIIGKZJVGZFE-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C(C)C ZINC001754620221 1440645164 /nfs/dbraw/zinc/64/51/64/1440645164.db2.gz OVRXVBLYGWHTDN-IBGZPJMESA-N 2 1 345.531 3.232 20 0 EGADMP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001754696515 1440667151 /nfs/dbraw/zinc/66/71/51/1440667151.db2.gz YHGXSVQCGQDCGR-QFBILLFUSA-N 2 1 334.508 3.025 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1(C)CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001754721265 1440673292 /nfs/dbraw/zinc/67/32/92/1440673292.db2.gz HVMGUCHLCHGKRU-UHFFFAOYSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+](CCC2=CCCCC2)C1 ZINC001754734678 1440681849 /nfs/dbraw/zinc/68/18/49/1440681849.db2.gz WQPGISPAIYPWEI-OAQYLSRUSA-N 2 1 349.563 3.437 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@]1(C)CCC[N@H+](CCC2=CCCCC2)C1 ZINC001754734678 1440681850 /nfs/dbraw/zinc/68/18/50/1440681850.db2.gz WQPGISPAIYPWEI-OAQYLSRUSA-N 2 1 349.563 3.437 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@]1(C)CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001754734678 1440681851 /nfs/dbraw/zinc/68/18/51/1440681851.db2.gz WQPGISPAIYPWEI-OAQYLSRUSA-N 2 1 349.563 3.437 20 0 EGADMP CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001754796648 1440689647 /nfs/dbraw/zinc/68/96/47/1440689647.db2.gz FFLYXLVNWORJDG-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1)CC(C)(C)C ZINC001754830840 1440695054 /nfs/dbraw/zinc/69/50/54/1440695054.db2.gz FGNLEAHYTMRLDQ-REPLKXPHSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)CC(C)(C)C ZINC001754830840 1440695055 /nfs/dbraw/zinc/69/50/55/1440695055.db2.gz FGNLEAHYTMRLDQ-REPLKXPHSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)CC(C)(C)C ZINC001754830840 1440695056 /nfs/dbraw/zinc/69/50/56/1440695056.db2.gz FGNLEAHYTMRLDQ-REPLKXPHSA-N 2 1 349.563 3.124 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001754873472 1440706025 /nfs/dbraw/zinc/70/60/25/1440706025.db2.gz KRRPDJFUYUWNDG-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001754919722 1440709180 /nfs/dbraw/zinc/70/91/80/1440709180.db2.gz VZISHMNREJWGKC-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2cccc(CC)c2)CC1 ZINC001755030730 1440731290 /nfs/dbraw/zinc/73/12/90/1440731290.db2.gz GKQKTWUHOUDMLY-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(CC)c2)CC1 ZINC001755030730 1440731291 /nfs/dbraw/zinc/73/12/91/1440731291.db2.gz GKQKTWUHOUDMLY-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(CC)c2)CC1 ZINC001755030730 1440731292 /nfs/dbraw/zinc/73/12/92/1440731292.db2.gz GKQKTWUHOUDMLY-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+](CCC3CC3)C2)C1 ZINC001755048081 1440742593 /nfs/dbraw/zinc/74/25/93/1440742593.db2.gz UANPDZPSGTXCPJ-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](CCC3CC3)C2)C1 ZINC001755048081 1440742594 /nfs/dbraw/zinc/74/25/94/1440742594.db2.gz UANPDZPSGTXCPJ-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+](CCC3CC3)C2)C1 ZINC001755048081 1440742595 /nfs/dbraw/zinc/74/25/95/1440742595.db2.gz UANPDZPSGTXCPJ-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C(=O)NCc1ccc2c(c1)C[N@@H+](C(C)C)C2)[NH+](CC)CC ZINC001755102121 1440753063 /nfs/dbraw/zinc/75/30/63/1440753063.db2.gz IONXEHDBMFVIAM-IBGZPJMESA-N 2 1 331.504 3.147 20 0 EGADMP CC(C)=CC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001755111557 1440754275 /nfs/dbraw/zinc/75/42/75/1440754275.db2.gz HMHWQMAUEIDAFP-WMZOPIPTSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001755129043 1440756691 /nfs/dbraw/zinc/75/66/91/1440756691.db2.gz AIPFLRGTZLSMNE-MJRGOJFPSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001755166489 1440767212 /nfs/dbraw/zinc/76/72/12/1440767212.db2.gz DDXFBGMQIVZIRJ-ZWKOTPCHSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001755166489 1440767213 /nfs/dbraw/zinc/76/72/13/1440767213.db2.gz DDXFBGMQIVZIRJ-ZWKOTPCHSA-N 2 1 348.535 3.412 20 0 EGADMP CCc1ccc(C[NH+]2CC[C@@H](NC(=O)CC[N@H+](C)CC)C[C@H]2C)cc1 ZINC001755167209 1440767573 /nfs/dbraw/zinc/76/75/73/1440767573.db2.gz LRDITSXRDUJUJC-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[N@H+]2CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@H]2C)cc1 ZINC001755167209 1440767574 /nfs/dbraw/zinc/76/75/74/1440767574.db2.gz LRDITSXRDUJUJC-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@H]2C)cc1 ZINC001755167209 1440767575 /nfs/dbraw/zinc/76/75/75/1440767575.db2.gz LRDITSXRDUJUJC-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001755204387 1440781842 /nfs/dbraw/zinc/78/18/42/1440781842.db2.gz JQHLBNSVPCQTGQ-RBUKOAKNSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001755204387 1440781843 /nfs/dbraw/zinc/78/18/43/1440781843.db2.gz JQHLBNSVPCQTGQ-RBUKOAKNSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001755204387 1440781844 /nfs/dbraw/zinc/78/18/44/1440781844.db2.gz JQHLBNSVPCQTGQ-RBUKOAKNSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)CCC1=CCCCC1 ZINC001755314044 1440814779 /nfs/dbraw/zinc/81/47/79/1440814779.db2.gz RGAFHFNRXFITCA-LNLFQRSKSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)CCC1=CCCCC1 ZINC001755314044 1440814780 /nfs/dbraw/zinc/81/47/80/1440814780.db2.gz RGAFHFNRXFITCA-LNLFQRSKSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)CCC1=CCCCC1 ZINC001755314044 1440814781 /nfs/dbraw/zinc/81/47/81/1440814781.db2.gz RGAFHFNRXFITCA-LNLFQRSKSA-N 2 1 335.536 3.044 20 0 EGADMP CCc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001755327668 1440822645 /nfs/dbraw/zinc/82/26/45/1440822645.db2.gz JOJJTJRTXOHIHH-SFHVURJKSA-N 2 1 345.531 3.062 20 0 EGADMP CCCC[C@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001755357543 1440830329 /nfs/dbraw/zinc/83/03/29/1440830329.db2.gz GBIMWOTXIPVHQV-RTBURBONSA-N 2 1 349.494 3.075 20 0 EGADMP CCC/C=C/CC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001755365623 1440834402 /nfs/dbraw/zinc/83/44/02/1440834402.db2.gz IHRSKLXFFHCBGH-ZMBJWTFHSA-N 2 1 346.519 3.299 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001755365623 1440834403 /nfs/dbraw/zinc/83/44/03/1440834403.db2.gz IHRSKLXFFHCBGH-ZMBJWTFHSA-N 2 1 346.519 3.299 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCC[NH+]1CCC1CCCC1 ZINC001755367323 1440835432 /nfs/dbraw/zinc/83/54/32/1440835432.db2.gz FSMXNBKOEVLOTE-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CCCC1 ZINC001755367323 1440835433 /nfs/dbraw/zinc/83/54/33/1440835433.db2.gz FSMXNBKOEVLOTE-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CCCC1 ZINC001755367323 1440835434 /nfs/dbraw/zinc/83/54/34/1440835434.db2.gz FSMXNBKOEVLOTE-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@H+]1C/C=C/c1ccccc1 ZINC001755367884 1440835760 /nfs/dbraw/zinc/83/57/60/1440835760.db2.gz JZXBFVNRGVCKPO-RGFVMQALSA-N 2 1 343.515 3.012 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001755413231 1440847426 /nfs/dbraw/zinc/84/74/26/1440847426.db2.gz VMWKNUGTCPPGCR-XSAZBNQGSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001755413231 1440847427 /nfs/dbraw/zinc/84/74/27/1440847427.db2.gz VMWKNUGTCPPGCR-XSAZBNQGSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001755413231 1440847428 /nfs/dbraw/zinc/84/74/28/1440847428.db2.gz VMWKNUGTCPPGCR-XSAZBNQGSA-N 2 1 349.563 3.434 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](CC3=CCCCC3)C[C@@H]2C1 ZINC001755451427 1440853744 /nfs/dbraw/zinc/85/37/44/1440853744.db2.gz FZKUJYLTYYBQHW-SLFFLAALSA-N 2 1 347.547 3.045 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3=CCCCC3)C[C@@H]2C1 ZINC001755451427 1440853745 /nfs/dbraw/zinc/85/37/45/1440853745.db2.gz FZKUJYLTYYBQHW-SLFFLAALSA-N 2 1 347.547 3.045 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC3=CCCCC3)C[C@@H]2C1 ZINC001755451427 1440853746 /nfs/dbraw/zinc/85/37/46/1440853746.db2.gz FZKUJYLTYYBQHW-SLFFLAALSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001755473595 1440859156 /nfs/dbraw/zinc/85/91/56/1440859156.db2.gz SXQOJUWBQJCLBJ-VAMGGRTRSA-N 2 1 347.547 3.236 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]Cc2ccccc2C)CC[N@H+]1C ZINC001755499076 1440862530 /nfs/dbraw/zinc/86/25/30/1440862530.db2.gz UHXIUZBQFZXMDW-YZGWKJHDSA-N 2 1 345.531 3.100 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001755573483 1440877462 /nfs/dbraw/zinc/87/74/62/1440877462.db2.gz RVTLASIOESKFJQ-RBUKOAKNSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001755573482 1440877487 /nfs/dbraw/zinc/87/74/87/1440877487.db2.gz RVTLASIOESKFJQ-OALUTQOASA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C[C@H]1C ZINC001755693819 1440897330 /nfs/dbraw/zinc/89/73/30/1440897330.db2.gz RSNWTJTUZSTOIE-AEFFLSMTSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C[C@@H]1C ZINC001755693822 1440897416 /nfs/dbraw/zinc/89/74/16/1440897416.db2.gz RSNWTJTUZSTOIE-WMZOPIPTSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CC1CCCCC1)CC2 ZINC001755704923 1440902051 /nfs/dbraw/zinc/90/20/51/1440902051.db2.gz RWMDPECDRFDBNY-AZUAARDMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@]12CCC[C@@H]1[N@H+](CC1CCCCC1)CC2 ZINC001755704923 1440902052 /nfs/dbraw/zinc/90/20/52/1440902052.db2.gz RWMDPECDRFDBNY-AZUAARDMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC1CCCCC1)CC2 ZINC001755704923 1440902053 /nfs/dbraw/zinc/90/20/53/1440902053.db2.gz RWMDPECDRFDBNY-AZUAARDMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC3CCCC3)[C@H]2C1 ZINC001755712179 1440903905 /nfs/dbraw/zinc/90/39/05/1440903905.db2.gz KWWOQPZXTNTPRR-SLFFLAALSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC3CCCC3)[C@H]2C1 ZINC001755712519 1440904079 /nfs/dbraw/zinc/90/40/79/1440904079.db2.gz MSVBOWSPKFDTKC-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)N(CC[N@@H+](C)CCC1=CCCCC1)C(=O)C[NH+]1CCCC1 ZINC001755815730 1440923498 /nfs/dbraw/zinc/92/34/98/1440923498.db2.gz TXOXMWBHYUYKRR-UHFFFAOYSA-N 2 1 335.536 3.142 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001755846263 1440933420 /nfs/dbraw/zinc/93/34/20/1440933420.db2.gz SHPWHUVIVKBZIO-IAGOWNOFSA-N 2 1 348.535 3.090 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCC2CCC2)C1 ZINC001755862599 1440936965 /nfs/dbraw/zinc/93/69/65/1440936965.db2.gz QSALEZONNLAEIW-MHJFOBGBSA-N 2 1 349.563 3.409 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)nc1 ZINC001164619558 719124532 /nfs/dbraw/zinc/12/45/32/719124532.db2.gz FERNKCYRKSYTNA-OKZBNKHCSA-N 2 1 346.494 3.142 20 0 EGADMP Cc1ccc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)[nH+]c1C ZINC001164856969 720952306 /nfs/dbraw/zinc/95/23/06/720952306.db2.gz DEZASXATDPQYHA-MRXNPFEDSA-N 2 1 327.476 3.316 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2c(F)cccc2F)CC1 ZINC000052210116 214122485 /nfs/dbraw/zinc/12/24/85/214122485.db2.gz OGTWMPKDSGZRNV-SFHVURJKSA-N 2 1 340.458 3.442 20 0 EGADMP Cc1noc(C2CCC([NH2+][C@H](C)C[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)n1 ZINC000368378908 168348683 /nfs/dbraw/zinc/34/86/83/168348683.db2.gz SDUFXYMTBGFMRQ-MASVMSMMSA-N 2 1 334.508 3.360 20 0 EGADMP CCn1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cn1 ZINC000174452033 231211730 /nfs/dbraw/zinc/21/17/30/231211730.db2.gz ACJZVXHJCOCYFB-UHFFFAOYSA-N 2 1 338.455 3.418 20 0 EGADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000154483126 529596369 /nfs/dbraw/zinc/59/63/69/529596369.db2.gz ILTHWNNRTQPQIV-FQEVSTJZSA-N 2 1 333.520 3.154 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc2c1OC(C)(C)C2 ZINC000371470501 282225646 /nfs/dbraw/zinc/22/56/46/282225646.db2.gz LXHZNCCKXBJRBC-QYZOEREBSA-N 2 1 344.499 3.084 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc2c1OC(C)(C)C2 ZINC000371470501 282225648 /nfs/dbraw/zinc/22/56/48/282225648.db2.gz LXHZNCCKXBJRBC-QYZOEREBSA-N 2 1 344.499 3.084 20 0 EGADMP OC1CC[NH+](CCC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000178520859 232225417 /nfs/dbraw/zinc/22/54/17/232225417.db2.gz PSRRPLYQMLWIAT-QFIPXVFZSA-N 2 1 338.495 3.407 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179632799 233252199 /nfs/dbraw/zinc/25/21/99/233252199.db2.gz XKPRNZFQMRANSW-FQEVSTJZSA-N 2 1 340.515 3.240 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179632799 233252205 /nfs/dbraw/zinc/25/22/05/233252205.db2.gz XKPRNZFQMRANSW-FQEVSTJZSA-N 2 1 340.515 3.240 20 0 EGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000180228734 291147686 /nfs/dbraw/zinc/14/76/86/291147686.db2.gz IMMNANQXJYACEA-OUENDJJVSA-N 2 1 326.843 3.381 20 0 EGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000180228734 291147687 /nfs/dbraw/zinc/14/76/87/291147687.db2.gz IMMNANQXJYACEA-OUENDJJVSA-N 2 1 326.843 3.381 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000130965262 223192096 /nfs/dbraw/zinc/19/20/96/223192096.db2.gz RYJFHRLLWDNRPO-INIZCTEOSA-N 2 1 328.460 3.157 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000130965262 223192099 /nfs/dbraw/zinc/19/20/99/223192099.db2.gz RYJFHRLLWDNRPO-INIZCTEOSA-N 2 1 328.460 3.157 20 0 EGADMP COc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000072726258 216300818 /nfs/dbraw/zinc/30/08/18/216300818.db2.gz PNCLIQQNNALYLH-UHFFFAOYSA-N 2 1 340.467 3.458 20 0 EGADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000361502519 296035485 /nfs/dbraw/zinc/03/54/85/296035485.db2.gz XQBTWZSTDXNJFC-UYAOXDASSA-N 2 1 347.547 3.118 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000266615278 248383687 /nfs/dbraw/zinc/38/36/87/248383687.db2.gz JHTGUMOMHYXXCP-FQEVSTJZSA-N 2 1 339.483 3.434 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000266615278 248383692 /nfs/dbraw/zinc/38/36/92/248383692.db2.gz JHTGUMOMHYXXCP-FQEVSTJZSA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000266615278 248383695 /nfs/dbraw/zinc/38/36/95/248383695.db2.gz JHTGUMOMHYXXCP-FQEVSTJZSA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000266615278 248383698 /nfs/dbraw/zinc/38/36/98/248383698.db2.gz JHTGUMOMHYXXCP-FQEVSTJZSA-N 2 1 339.483 3.434 20 0 EGADMP C[N@@H+](Cc1ccc2occc2c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377633594 169052993 /nfs/dbraw/zinc/05/29/93/169052993.db2.gz VOLGKPVQVXSECN-LJQANCHMSA-N 2 1 327.472 3.033 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000268802595 252255693 /nfs/dbraw/zinc/25/56/93/252255693.db2.gz JQWLEUURJUJDGU-GFCCVEGCSA-N 2 1 327.350 3.483 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000268906619 255492551 /nfs/dbraw/zinc/49/25/51/255492551.db2.gz QDCSMLOPBFOZGX-KRWDZBQOSA-N 2 1 342.487 3.159 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCO[C@H]2CCOC2)cc1 ZINC000119109200 221246224 /nfs/dbraw/zinc/24/62/24/221246224.db2.gz MZKDIHXLJBPQFR-KXBFYZLASA-N 2 1 329.444 3.027 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)[C@@H](C)C1 ZINC000221892705 285376535 /nfs/dbraw/zinc/37/65/35/285376535.db2.gz YARCBWICIVYVGR-QFBILLFUSA-N 2 1 334.479 3.194 20 0 EGADMP CC[N@H+]1CC[C@@H](NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)[C@H](C)C1 ZINC000156641969 285376631 /nfs/dbraw/zinc/37/66/31/285376631.db2.gz DLQMSGYPVIJULU-UIFIKXQLSA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](c2ccc(OC)cc2)N2CCCC2)[C@H](C)C1 ZINC000156641969 285376632 /nfs/dbraw/zinc/37/66/32/285376632.db2.gz DLQMSGYPVIJULU-UIFIKXQLSA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](c2ccc(OC)cc2)N2CCCC2)[C@H](C)C1 ZINC000156641969 285376633 /nfs/dbraw/zinc/37/66/33/285376633.db2.gz DLQMSGYPVIJULU-UIFIKXQLSA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)c1ccccc1 ZINC000346629423 141207754 /nfs/dbraw/zinc/20/77/54/141207754.db2.gz VVYHMDHZHHTGFX-UYAOXDASSA-N 2 1 345.531 3.055 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000352969026 141280412 /nfs/dbraw/zinc/28/04/12/141280412.db2.gz PQONSVRXVLWKGO-WMZOPIPTSA-N 2 1 332.488 3.361 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000352969026 141280415 /nfs/dbraw/zinc/28/04/15/141280415.db2.gz PQONSVRXVLWKGO-WMZOPIPTSA-N 2 1 332.488 3.361 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000353457042 141300175 /nfs/dbraw/zinc/30/01/75/141300175.db2.gz YHRUVIYWCLDEPM-GOSISDBHSA-N 2 1 349.482 3.440 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NCC1([NH+](C)C)CCCCC1 ZINC000359592613 141381312 /nfs/dbraw/zinc/38/13/12/141381312.db2.gz NZZLYGDFALFPOE-ICSRJNTNSA-N 2 1 344.547 3.146 20 0 EGADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000175168474 144059453 /nfs/dbraw/zinc/05/94/53/144059453.db2.gz DVGOAVLTHOXKSY-HXUWFJFHSA-N 2 1 345.531 3.164 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3ccccc3n2)CC1 ZINC000178486202 144072208 /nfs/dbraw/zinc/07/22/08/144072208.db2.gz KQDASNXIYRDYTR-INIZCTEOSA-N 2 1 327.472 3.386 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc3ccccc3n2)CC1 ZINC000178486214 144072334 /nfs/dbraw/zinc/07/23/34/144072334.db2.gz KQDASNXIYRDYTR-MRXNPFEDSA-N 2 1 327.472 3.386 20 0 EGADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000185601954 144116224 /nfs/dbraw/zinc/11/62/24/144116224.db2.gz MWKIHTCLKLRPIE-FXAWDEMLSA-N 2 1 343.515 3.019 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000351575188 144282751 /nfs/dbraw/zinc/28/27/51/144282751.db2.gz RIHPXHFQLORPJM-IAGOWNOFSA-N 2 1 344.421 3.447 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000351575188 144282752 /nfs/dbraw/zinc/28/27/52/144282752.db2.gz RIHPXHFQLORPJM-IAGOWNOFSA-N 2 1 344.421 3.447 20 0 EGADMP Cc1nc(-c2cccc(NC(=O)CN3CCC(C)CC3)c2)[nH]c1C ZINC000363861650 144372423 /nfs/dbraw/zinc/37/24/23/144372423.db2.gz QSNQHQHZGUQHSI-UHFFFAOYSA-N 2 1 326.444 3.364 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000677818333 549336488 /nfs/dbraw/zinc/33/64/88/549336488.db2.gz ZPIFRURDMVXJGT-MRXNPFEDSA-N 2 1 341.377 3.098 20 0 EGADMP C[C@H](NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Br)cs1 ZINC000300270210 154022393 /nfs/dbraw/zinc/02/23/93/154022393.db2.gz HTEURVPQKRKOST-DRZSPHRISA-N 2 1 345.306 3.024 20 0 EGADMP OCc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000310955933 154144563 /nfs/dbraw/zinc/14/45/63/154144563.db2.gz ZRTUBRKAESPOKJ-YADHBBJMSA-N 2 1 336.479 3.133 20 0 EGADMP OCc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000310955933 154144569 /nfs/dbraw/zinc/14/45/69/154144569.db2.gz ZRTUBRKAESPOKJ-YADHBBJMSA-N 2 1 336.479 3.133 20 0 EGADMP OCc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000310955933 154144571 /nfs/dbraw/zinc/14/45/71/154144571.db2.gz ZRTUBRKAESPOKJ-YADHBBJMSA-N 2 1 336.479 3.133 20 0 EGADMP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000311151749 154147115 /nfs/dbraw/zinc/14/71/15/154147115.db2.gz NIWGQPPFKXFFDF-QUCCMNQESA-N 2 1 338.499 3.299 20 0 EGADMP COC1(CC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000336662974 154208804 /nfs/dbraw/zinc/20/88/04/154208804.db2.gz WKOGOVLDENZAEC-PMACEKPBSA-N 2 1 328.500 3.400 20 0 EGADMP COC1(CC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000336662974 154208807 /nfs/dbraw/zinc/20/88/07/154208807.db2.gz WKOGOVLDENZAEC-PMACEKPBSA-N 2 1 328.500 3.400 20 0 EGADMP COC1(CC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000336662974 154208809 /nfs/dbraw/zinc/20/88/09/154208809.db2.gz WKOGOVLDENZAEC-PMACEKPBSA-N 2 1 328.500 3.400 20 0 EGADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336693944 154209953 /nfs/dbraw/zinc/20/99/53/154209953.db2.gz IBZNBHLBTWEJPH-UXHICEINSA-N 2 1 326.488 3.019 20 0 EGADMP [NH3+]CCCOC1CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000336876405 154226573 /nfs/dbraw/zinc/22/65/73/154226573.db2.gz DVCCSLKSAXPGRL-UHFFFAOYSA-N 2 1 349.862 3.325 20 0 EGADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000337328428 154287252 /nfs/dbraw/zinc/28/72/52/154287252.db2.gz DYUSKKIVXNVTBY-DKGMDFAASA-N 2 1 342.405 3.155 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346814409 156148344 /nfs/dbraw/zinc/14/83/44/156148344.db2.gz BEYKWJXDBUCYMT-TYPHKJRUSA-N 2 1 338.499 3.107 20 0 EGADMP COc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346820490 156150526 /nfs/dbraw/zinc/15/05/26/156150526.db2.gz HUYDEOYAEGQKPA-TUKIKUTGSA-N 2 1 339.277 3.017 20 0 EGADMP COc1cc(Br)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346820490 156150528 /nfs/dbraw/zinc/15/05/28/156150528.db2.gz HUYDEOYAEGQKPA-TUKIKUTGSA-N 2 1 339.277 3.017 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@@H]21 ZINC000346821081 156150668 /nfs/dbraw/zinc/15/06/68/156150668.db2.gz LFUMSQKPZMUZBA-XOKHGSTOSA-N 2 1 330.863 3.289 20 0 EGADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(-c2ccccc2Cl)n1 ZINC000346823010 156152620 /nfs/dbraw/zinc/15/26/20/156152620.db2.gz JTGXXJFQEMWRMO-OWQGQXMQSA-N 2 1 344.890 3.300 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000347002265 156240425 /nfs/dbraw/zinc/24/04/25/156240425.db2.gz IMWDWLKTWAJVBN-SFHVURJKSA-N 2 1 334.467 3.457 20 0 EGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000365421157 157118883 /nfs/dbraw/zinc/11/88/83/157118883.db2.gz ISRWSOVWDDHYGD-ACRUOGEOSA-N 2 1 346.515 3.071 20 0 EGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000365421157 157118888 /nfs/dbraw/zinc/11/88/88/157118888.db2.gz ISRWSOVWDDHYGD-ACRUOGEOSA-N 2 1 346.515 3.071 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC[C@@H]21 ZINC000093793273 162028096 /nfs/dbraw/zinc/02/80/96/162028096.db2.gz GKIVDDMIDIWRLD-JBACZVJFSA-N 2 1 344.499 3.161 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC[C@@H]21 ZINC000093793273 162028098 /nfs/dbraw/zinc/02/80/98/162028098.db2.gz GKIVDDMIDIWRLD-JBACZVJFSA-N 2 1 344.499 3.161 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC[C@@H]21 ZINC000093793273 162028101 /nfs/dbraw/zinc/02/81/01/162028101.db2.gz GKIVDDMIDIWRLD-JBACZVJFSA-N 2 1 344.499 3.161 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000093792345 162028866 /nfs/dbraw/zinc/02/88/66/162028866.db2.gz IWDAGWPDYDXWGB-CTNGQTDRSA-N 2 1 346.515 3.408 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000093792345 162028872 /nfs/dbraw/zinc/02/88/72/162028872.db2.gz IWDAGWPDYDXWGB-CTNGQTDRSA-N 2 1 346.515 3.408 20 0 EGADMP Fc1cc(Br)cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000093981852 162034242 /nfs/dbraw/zinc/03/42/42/162034242.db2.gz YVFKVSDLBGXDPW-NSHDSACASA-N 2 1 327.241 3.162 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CC(C)(C)OC3(C)C)c2)CCO1 ZINC000247097074 162930805 /nfs/dbraw/zinc/93/08/05/162930805.db2.gz PUMNGDHIWXCANM-APWZRJJASA-N 2 1 346.515 3.343 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CC(C)(C)OC3(C)C)c2)CCO1 ZINC000247097074 162930808 /nfs/dbraw/zinc/93/08/08/162930808.db2.gz PUMNGDHIWXCANM-APWZRJJASA-N 2 1 346.515 3.343 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000249154313 163059009 /nfs/dbraw/zinc/05/90/09/163059009.db2.gz WCNXCDILGJDYEJ-ZIFCJYIRSA-N 2 1 341.503 3.242 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000249154313 163059012 /nfs/dbraw/zinc/05/90/12/163059012.db2.gz WCNXCDILGJDYEJ-ZIFCJYIRSA-N 2 1 341.503 3.242 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000338266353 163202054 /nfs/dbraw/zinc/20/20/54/163202054.db2.gz INEWALDOWIROBK-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[NH+]1CCCCC1 ZINC000354708375 166015618 /nfs/dbraw/zinc/01/56/18/166015618.db2.gz PFFIXTKICBNLQK-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000354779397 166029481 /nfs/dbraw/zinc/02/94/81/166029481.db2.gz HHFUPCNYOXGSLU-IBGZPJMESA-N 2 1 348.450 3.071 20 0 EGADMP CC[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1ccccc1 ZINC000354779397 166029483 /nfs/dbraw/zinc/02/94/83/166029483.db2.gz HHFUPCNYOXGSLU-IBGZPJMESA-N 2 1 348.450 3.071 20 0 EGADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000343992113 164078375 /nfs/dbraw/zinc/07/83/75/164078375.db2.gz RFMGFHIPEONFCS-QGZVFWFLSA-N 2 1 347.409 3.077 20 0 EGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H](CC2CCC2)c2ccccc2)C1 ZINC000344173921 164120020 /nfs/dbraw/zinc/12/00/20/164120020.db2.gz PTUXMVGDHSUIDF-UXHICEINSA-N 2 1 343.515 3.095 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344178194 164120993 /nfs/dbraw/zinc/12/09/93/164120993.db2.gz VJWFBFGYHXSXQD-HXUWFJFHSA-N 2 1 333.495 3.066 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CC3(O)CCCCCC3)sc2C1 ZINC000344206076 164126729 /nfs/dbraw/zinc/12/67/29/164126729.db2.gz DTPANLCZJOFCHW-UHFFFAOYSA-N 2 1 337.533 3.085 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CC3(O)CCCCCC3)sc2C1 ZINC000344206076 164126730 /nfs/dbraw/zinc/12/67/30/164126730.db2.gz DTPANLCZJOFCHW-UHFFFAOYSA-N 2 1 337.533 3.085 20 0 EGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCO[C@@H](C(C)C)C3)CCCC2)CC1 ZINC000346127139 164344140 /nfs/dbraw/zinc/34/41/40/164344140.db2.gz CCPZOPHWOATXPN-IEBWSBKVSA-N 2 1 338.536 3.203 20 0 EGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CCCC(=O)OC(C)(C)C ZINC000346135002 164346419 /nfs/dbraw/zinc/34/64/19/164346419.db2.gz GBSYNYBKROCZOR-UHFFFAOYSA-N 2 1 344.459 3.129 20 0 EGADMP CCN(CC[NH+]1CCCCCC1)C(=O)CCn1cc[nH+]c1C(C)C ZINC000346304056 164366047 /nfs/dbraw/zinc/36/60/47/164366047.db2.gz FFCQFBQGKLBJSK-UHFFFAOYSA-N 2 1 334.508 3.121 20 0 EGADMP Cc1[nH+]ccc(NCCc2[nH+]ccn2Cc2ccccc2)c1Cl ZINC000350244920 165021590 /nfs/dbraw/zinc/02/15/90/165021590.db2.gz HKHCIMQHSDDLRY-UHFFFAOYSA-N 2 1 326.831 3.365 20 0 EGADMP CC(C)Oc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000355218422 166137042 /nfs/dbraw/zinc/13/70/42/166137042.db2.gz IMNGMDXHDZUJES-WSTZPKSXSA-N 2 1 332.488 3.157 20 0 EGADMP CC(C)Oc1ccccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000355218422 166137045 /nfs/dbraw/zinc/13/70/45/166137045.db2.gz IMNGMDXHDZUJES-WSTZPKSXSA-N 2 1 332.488 3.157 20 0 EGADMP CC[C@@H](C(=O)N[C@@H](c1ncc[nH]1)C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000355963085 166360813 /nfs/dbraw/zinc/36/08/13/166360813.db2.gz UGKBIDOEIXHUPP-DLBZAZTESA-N 2 1 328.460 3.134 20 0 EGADMP CC[C@@H](C(=O)N[C@@H](c1ncc[nH]1)C(C)C)N(C)Cc1ccccc1 ZINC000355963085 166360815 /nfs/dbraw/zinc/36/08/15/166360815.db2.gz UGKBIDOEIXHUPP-DLBZAZTESA-N 2 1 328.460 3.134 20 0 EGADMP Cc1cc2[nH]c(C[NH2+]CCCC[N@H+]3CCC[C@@H]3CO)cc2c(C)c1 ZINC000358954699 167017948 /nfs/dbraw/zinc/01/79/48/167017948.db2.gz PQDPVYJAELBNHU-GOSISDBHSA-N 2 1 329.488 3.111 20 0 EGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cn1 ZINC000359249054 167105942 /nfs/dbraw/zinc/10/59/42/167105942.db2.gz UZOIYKMGOZUQEJ-OALUTQOASA-N 2 1 343.446 3.028 20 0 EGADMP C[NH+](C)CC1CC[NH+](Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000359387865 167143023 /nfs/dbraw/zinc/14/30/23/167143023.db2.gz KHLPDPRQYQKVKP-UHFFFAOYSA-N 2 1 334.851 3.164 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)c1cccc(OC)c1 ZINC000359773038 167229126 /nfs/dbraw/zinc/22/91/26/167229126.db2.gz ZJHNLIWLACXTGX-LSTHTHJFSA-N 2 1 333.520 3.008 20 0 EGADMP CCN(CC)C(=O)CCC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000359862908 167252024 /nfs/dbraw/zinc/25/20/24/167252024.db2.gz RNVOCVLDOZDMMO-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCN(CC)C(=O)CCC1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000359877754 167255928 /nfs/dbraw/zinc/25/59/28/167255928.db2.gz QMJXCDWPAXGZDA-UHFFFAOYSA-N 2 1 348.535 3.332 20 0 EGADMP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000360236037 167278390 /nfs/dbraw/zinc/27/83/90/167278390.db2.gz YRAOWYNXPFVRNS-ICSRJNTNSA-N 2 1 334.504 3.219 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CCCSc2ccc(Cl)cc21)C[NH+]1CCCC1 ZINC000360248025 167281374 /nfs/dbraw/zinc/28/13/74/167281374.db2.gz FESBPEKCJDWREV-GDBMZVCRSA-N 2 1 340.920 3.313 20 0 EGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@@H]21 ZINC000366214136 168094656 /nfs/dbraw/zinc/09/46/56/168094656.db2.gz NKTFFKRUCPJVQE-BEFAXECRSA-N 2 1 329.419 3.397 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@@H]21 ZINC000366214136 168094658 /nfs/dbraw/zinc/09/46/58/168094658.db2.gz NKTFFKRUCPJVQE-BEFAXECRSA-N 2 1 329.419 3.397 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@@H]21 ZINC000366214136 168094659 /nfs/dbraw/zinc/09/46/59/168094659.db2.gz NKTFFKRUCPJVQE-BEFAXECRSA-N 2 1 329.419 3.397 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@@H]21 ZINC000366214136 168094660 /nfs/dbraw/zinc/09/46/60/168094660.db2.gz NKTFFKRUCPJVQE-BEFAXECRSA-N 2 1 329.419 3.397 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000366254412 168098963 /nfs/dbraw/zinc/09/89/63/168098963.db2.gz HLRQKXDVERFPIK-IBGZPJMESA-N 2 1 343.515 3.275 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366863222 168149905 /nfs/dbraw/zinc/14/99/05/168149905.db2.gz GBWGWEFCHVRLDW-UHFFFAOYSA-N 2 1 349.906 3.395 20 0 EGADMP C[C@H](NCc1cnc2n1CCCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367436620 168225338 /nfs/dbraw/zinc/22/53/38/168225338.db2.gz GNRYQWPDGKTMBY-PKOBYXMFSA-N 3 1 338.499 3.220 20 0 EGADMP C[C@H]([NH2+]Cc1cnc2n1CCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367436620 168225340 /nfs/dbraw/zinc/22/53/40/168225340.db2.gz GNRYQWPDGKTMBY-PKOBYXMFSA-N 3 1 338.499 3.220 20 0 EGADMP C[C@H]([NH2+]Cc1cnc2n1CCCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367436620 168225341 /nfs/dbraw/zinc/22/53/41/168225341.db2.gz GNRYQWPDGKTMBY-PKOBYXMFSA-N 2 1 338.499 3.220 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(-c2cc3ccccc3o2)n1 ZINC000367474330 168231813 /nfs/dbraw/zinc/23/18/13/168231813.db2.gz FDCDXMAPVYEEKU-HNNXBMFYSA-N 2 1 338.455 3.217 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(-c2cc3ccccc3o2)n1 ZINC000367474330 168231815 /nfs/dbraw/zinc/23/18/15/168231815.db2.gz FDCDXMAPVYEEKU-HNNXBMFYSA-N 2 1 338.455 3.217 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C[C@H]4CC=CCC4)CC3)C2)cc1 ZINC000367668659 168257467 /nfs/dbraw/zinc/25/74/67/168257467.db2.gz JDPGRISVHBHQND-RBBKRZOGSA-N 2 1 339.527 3.235 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000159047009 225135371 /nfs/dbraw/zinc/13/53/71/225135371.db2.gz LDNRKDYWSCYUGG-QWQRMKEZSA-N 2 1 330.476 3.104 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000159047009 225135376 /nfs/dbraw/zinc/13/53/76/225135376.db2.gz LDNRKDYWSCYUGG-QWQRMKEZSA-N 2 1 330.476 3.104 20 0 EGADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCCCC1 ZINC000163106596 225922649 /nfs/dbraw/zinc/92/26/49/225922649.db2.gz KFOSGPPCWSPWEK-NRFANRHFSA-N 2 1 330.516 3.224 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(C[NH3+])CCCC1 ZINC000237519214 266236266 /nfs/dbraw/zinc/23/62/66/266236266.db2.gz QPIMDKCDNWCEHO-KRWDZBQOSA-N 2 1 343.515 3.196 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000273284401 267012645 /nfs/dbraw/zinc/01/26/45/267012645.db2.gz QZMPOWBRXAIHAU-UYAOXDASSA-N 2 1 330.516 3.488 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000273912932 267141801 /nfs/dbraw/zinc/14/18/01/267141801.db2.gz YCUHUEHRVIIVTJ-JTQLQIEISA-N 2 1 341.228 3.229 20 0 EGADMP CC(C)[C@H](O)C1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274744092 267279939 /nfs/dbraw/zinc/27/99/39/267279939.db2.gz FXGVAQSKDGBSBH-SXLOBPIMSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000278447374 268015196 /nfs/dbraw/zinc/01/51/96/268015196.db2.gz IBSYNIOOJIMUFF-ROUUACIJSA-N 2 1 342.487 3.024 20 0 EGADMP COCC[NH+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000123295147 274031080 /nfs/dbraw/zinc/03/10/80/274031080.db2.gz SWNLUEXRABNBOV-UHFFFAOYSA-N 2 1 339.361 3.022 20 0 EGADMP OCCC1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000367614937 275045660 /nfs/dbraw/zinc/04/56/60/275045660.db2.gz JGRZOYBSPISWIS-PWRODBHTSA-N 2 1 342.527 3.429 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000040621906 275123829 /nfs/dbraw/zinc/12/38/29/275123829.db2.gz GQECTGAIFUTLHS-ZDUSSCGKSA-N 2 1 329.257 3.408 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000040621906 275123831 /nfs/dbraw/zinc/12/38/31/275123831.db2.gz GQECTGAIFUTLHS-ZDUSSCGKSA-N 2 1 329.257 3.408 20 0 EGADMP CCC[N@H+](CC)CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180699210 275203697 /nfs/dbraw/zinc/20/36/97/275203697.db2.gz NHIUBAPTGGLQNV-UHFFFAOYSA-N 2 1 327.513 3.144 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180699210 275203699 /nfs/dbraw/zinc/20/36/99/275203699.db2.gz NHIUBAPTGGLQNV-UHFFFAOYSA-N 2 1 327.513 3.144 20 0 EGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000278737383 275270287 /nfs/dbraw/zinc/27/02/87/275270287.db2.gz WNXBZYCFSHTVOZ-LPHOPBHVSA-N 2 1 332.488 3.163 20 0 EGADMP Cc1ncsc1CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278926777 275288395 /nfs/dbraw/zinc/28/83/95/275288395.db2.gz SDTWCILMCHEDRC-UHFFFAOYSA-N 2 1 330.501 3.406 20 0 EGADMP Cn1cnc2cc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)ccc21 ZINC000279337668 275323670 /nfs/dbraw/zinc/32/36/70/275323670.db2.gz DUUOKJOQZSQMBG-UHFFFAOYSA-N 2 1 349.482 3.486 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)[C@H](C)C1 ZINC000286990827 276067657 /nfs/dbraw/zinc/06/76/57/276067657.db2.gz JQBYRJNJYWVLSF-JRGCBEDISA-N 2 1 347.547 3.396 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(OC(C)C)cc2)N(C)C)[C@H](C)C1 ZINC000286990827 276067659 /nfs/dbraw/zinc/06/76/59/276067659.db2.gz JQBYRJNJYWVLSF-JRGCBEDISA-N 2 1 347.547 3.396 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(OC(C)C)cc2)N(C)C)[C@H](C)C1 ZINC000286990827 276067660 /nfs/dbraw/zinc/06/76/60/276067660.db2.gz JQBYRJNJYWVLSF-JRGCBEDISA-N 2 1 347.547 3.396 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cn(C)nc1C(F)F ZINC000348300750 276109117 /nfs/dbraw/zinc/10/91/17/276109117.db2.gz CKKONSZQVULJJD-HIFRSBDPSA-N 2 1 328.451 3.348 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000287724960 276151098 /nfs/dbraw/zinc/15/10/98/276151098.db2.gz OTKQBUSXBFTALV-QZTJIDSGSA-N 2 1 341.503 3.430 20 0 EGADMP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)o1 ZINC000288609977 276234112 /nfs/dbraw/zinc/23/41/12/276234112.db2.gz QNRUUPQNGHYXST-MAUKXSAKSA-N 2 1 343.471 3.418 20 0 EGADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)c1 ZINC000290242233 276469773 /nfs/dbraw/zinc/46/97/73/276469773.db2.gz ZCLFNJVOIPXOPA-KRWDZBQOSA-N 2 1 340.471 3.234 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1-n1ccnn1 ZINC000353451749 278344783 /nfs/dbraw/zinc/34/47/83/278344783.db2.gz XUZCVYYFVFCUIE-DLBZAZTESA-N 2 1 327.476 3.182 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000152053174 288105432 /nfs/dbraw/zinc/10/54/32/288105432.db2.gz GVKXUCWJTGWFAQ-GPMSIDNRSA-N 2 1 334.479 3.192 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000303240878 279140852 /nfs/dbraw/zinc/14/08/52/279140852.db2.gz JOGBCOHQMNIEQH-UYAOXDASSA-N 2 1 345.531 3.450 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](CC)C[C@@H]2C)cc1)C(C)C ZINC000341841125 279234710 /nfs/dbraw/zinc/23/47/10/279234710.db2.gz NRSMFTOWIKLYTK-KRWDZBQOSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](CC)C[C@@H]2C)cc1)C(C)C ZINC000341841125 279234711 /nfs/dbraw/zinc/23/47/11/279234711.db2.gz NRSMFTOWIKLYTK-KRWDZBQOSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](CC)C[C@@H]2C)cc1)C(C)C ZINC000341841125 279234712 /nfs/dbraw/zinc/23/47/12/279234712.db2.gz NRSMFTOWIKLYTK-KRWDZBQOSA-N 2 1 331.504 3.083 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCCCCC1 ZINC000181687373 289359805 /nfs/dbraw/zinc/35/98/05/289359805.db2.gz FMENDGNLYWUOOC-KSZLIROESA-N 2 1 335.536 3.020 20 0 EGADMP COC[C@H](CC(C)C)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000360056101 293090528 /nfs/dbraw/zinc/09/05/28/293090528.db2.gz QKRZPHMIAJODOC-LEWJYISDSA-N 2 1 347.547 3.016 20 0 EGADMP COc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H](C)C2CC2)c(OC)c1 ZINC000262039434 295127253 /nfs/dbraw/zinc/12/72/53/295127253.db2.gz YEKOHLRQFRXSLN-HZPDHXFCSA-N 2 1 332.488 3.304 20 0 EGADMP C[C@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@H+](C2CCC2)C1 ZINC000344769840 300164802 /nfs/dbraw/zinc/16/48/02/300164802.db2.gz IODOKWSCFPRKQW-XLIONFOSSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+](C2CCC2)C1 ZINC000344769840 300164805 /nfs/dbraw/zinc/16/48/05/300164805.db2.gz IODOKWSCFPRKQW-XLIONFOSSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC[NH+](C2CCC2)C1 ZINC000344769840 300164806 /nfs/dbraw/zinc/16/48/06/300164806.db2.gz IODOKWSCFPRKQW-XLIONFOSSA-N 2 1 347.547 3.116 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccn(C)n3)CC2)cs1 ZINC000414110997 309061438 /nfs/dbraw/zinc/06/14/38/309061438.db2.gz IPMABBZBLKXJOT-CQSZACIVSA-N 2 1 347.532 3.002 20 0 EGADMP Cn1ccnc1[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000414175650 309064824 /nfs/dbraw/zinc/06/48/24/309064824.db2.gz HOEIKJUQSUYYKB-MAUKXSAKSA-N 2 1 346.906 3.484 20 0 EGADMP Cn1ccnc1[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000414175650 309064825 /nfs/dbraw/zinc/06/48/25/309064825.db2.gz HOEIKJUQSUYYKB-MAUKXSAKSA-N 2 1 346.906 3.484 20 0 EGADMP Cn1ccnc1[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000414175650 309064826 /nfs/dbraw/zinc/06/48/26/309064826.db2.gz HOEIKJUQSUYYKB-MAUKXSAKSA-N 2 1 346.906 3.484 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000414191378 309065905 /nfs/dbraw/zinc/06/59/05/309065905.db2.gz RWADOOYMOKKBHO-AHRSYUTCSA-N 2 1 344.499 3.490 20 0 EGADMP C[C@H]1CCC[N@H+](Cc2ccc(NCc3c[nH+]c(N(C)C)n3C)cc2)C1 ZINC000414303293 309071585 /nfs/dbraw/zinc/07/15/85/309071585.db2.gz VJXSDHYDTLUDIF-INIZCTEOSA-N 2 1 341.503 3.330 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NCc3c[nH+]c(N(C)C)n3C)cc2)C1 ZINC000414303293 309071586 /nfs/dbraw/zinc/07/15/86/309071586.db2.gz VJXSDHYDTLUDIF-INIZCTEOSA-N 2 1 341.503 3.330 20 0 EGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000249761659 308028029 /nfs/dbraw/zinc/02/80/29/308028029.db2.gz GYISEHRPXDCLST-BBWFWOEESA-N 2 1 346.519 3.236 20 0 EGADMP CCOc1cc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1OC(F)F ZINC000292875125 308075228 /nfs/dbraw/zinc/07/52/28/308075228.db2.gz WWDXRRNCBPJJBP-SFHVURJKSA-N 2 1 340.414 3.214 20 0 EGADMP C[N@H+]1CC[C@]2(CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000292887638 308076627 /nfs/dbraw/zinc/07/66/27/308076627.db2.gz YNOHLCJHTQJDQS-SFHVURJKSA-N 2 1 330.863 3.053 20 0 EGADMP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1cc2ccccc2o1 ZINC000292940436 308082129 /nfs/dbraw/zinc/08/21/29/308082129.db2.gz ZWLNSHJIPWQFMU-SJLPKXTDSA-N 2 1 328.456 3.274 20 0 EGADMP O[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1cc2ccccc2o1 ZINC000292940436 308082130 /nfs/dbraw/zinc/08/21/30/308082130.db2.gz ZWLNSHJIPWQFMU-SJLPKXTDSA-N 2 1 328.456 3.274 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293404576 308127555 /nfs/dbraw/zinc/12/75/55/308127555.db2.gz RLTURURZCMRWMK-OAQYLSRUSA-N 3 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293404576 308127556 /nfs/dbraw/zinc/12/75/56/308127556.db2.gz RLTURURZCMRWMK-OAQYLSRUSA-N 3 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293404576 308127558 /nfs/dbraw/zinc/12/75/58/308127558.db2.gz RLTURURZCMRWMK-OAQYLSRUSA-N 3 1 341.543 3.459 20 0 EGADMP CN1CCC[C@@H]1CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293404576 308127559 /nfs/dbraw/zinc/12/75/59/308127559.db2.gz RLTURURZCMRWMK-OAQYLSRUSA-N 2 1 341.543 3.459 20 0 EGADMP CN1CCC[C@@H]1CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293404576 308127561 /nfs/dbraw/zinc/12/75/61/308127561.db2.gz RLTURURZCMRWMK-OAQYLSRUSA-N 2 1 341.543 3.459 20 0 EGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2conc2C)CC1 ZINC000293442979 308131485 /nfs/dbraw/zinc/13/14/85/308131485.db2.gz BYRBPTXIXDYAEN-HNNXBMFYSA-N 2 1 346.450 3.115 20 0 EGADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(C(=O)OC)cc1 ZINC000293767198 308160063 /nfs/dbraw/zinc/16/00/63/308160063.db2.gz PIPMHAOOWKFSMF-KSSFIOAISA-N 2 1 329.444 3.355 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1(SC)CC1 ZINC000414534723 309086959 /nfs/dbraw/zinc/08/69/59/309086959.db2.gz XGBDGRFSIPULLI-QZTJIDSGSA-N 2 1 334.529 3.009 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1(SC)CC1 ZINC000414534723 309086960 /nfs/dbraw/zinc/08/69/60/309086960.db2.gz XGBDGRFSIPULLI-QZTJIDSGSA-N 2 1 334.529 3.009 20 0 EGADMP C[N@@H+](CCN1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Cc1ccccc1 ZINC000295009639 308281158 /nfs/dbraw/zinc/28/11/58/308281158.db2.gz SJCBHLUPXWVEMY-CTNGQTDRSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+](CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Cc1ccccc1 ZINC000295009639 308281160 /nfs/dbraw/zinc/28/11/60/308281160.db2.gz SJCBHLUPXWVEMY-CTNGQTDRSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+](CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Cc1ccccc1 ZINC000295009639 308281161 /nfs/dbraw/zinc/28/11/61/308281161.db2.gz SJCBHLUPXWVEMY-CTNGQTDRSA-N 2 1 327.516 3.067 20 0 EGADMP CN(Cc1cnn(CC(F)F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295297667 308312090 /nfs/dbraw/zinc/31/20/90/308312090.db2.gz JPFYYHMSEATBMB-QGZVFWFLSA-N 2 1 348.441 3.102 20 0 EGADMP C[NH+]1CCC([NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000296104590 308393912 /nfs/dbraw/zinc/39/39/12/308393912.db2.gz UNOONEZKCJYMMA-QGZVFWFLSA-N 2 1 337.305 3.454 20 0 EGADMP CC[N@H+](Cc1ccc(Br)cc1OC)[C@H]1CCC[NH2+]CC1 ZINC000414707621 309096424 /nfs/dbraw/zinc/09/64/24/309096424.db2.gz BUTWJDIPNIHKNU-HNNXBMFYSA-N 2 1 341.293 3.422 20 0 EGADMP CC[N@@H+](Cc1ccc(Br)cc1OC)[C@H]1CCC[NH2+]CC1 ZINC000414707621 309096425 /nfs/dbraw/zinc/09/64/25/309096425.db2.gz BUTWJDIPNIHKNU-HNNXBMFYSA-N 2 1 341.293 3.422 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)NCC(C)(C)[NH3+])C1CCCCC1 ZINC000414719230 309097300 /nfs/dbraw/zinc/09/73/00/309097300.db2.gz XVHWLVQOUVYWJX-UHFFFAOYSA-N 2 1 332.492 3.310 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)o2)CC12CCOCC2 ZINC000414771931 309099900 /nfs/dbraw/zinc/09/99/00/309099900.db2.gz ASKITBCCIRKOTK-KRWDZBQOSA-N 2 1 326.440 3.134 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2ccccc2Cl)n1 ZINC000414773610 309100207 /nfs/dbraw/zinc/10/02/07/309100207.db2.gz XHASKJXMNFXMFV-GASCZTMLSA-N 2 1 344.890 3.172 20 0 EGADMP Fc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414779908 309100690 /nfs/dbraw/zinc/10/06/90/309100690.db2.gz KXAQDUGHTMYNGU-OLZOCXBDSA-N 2 1 341.268 3.410 20 0 EGADMP c1cn2c(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c(C3CC3)nc2s1 ZINC000414789191 309101443 /nfs/dbraw/zinc/10/14/43/309101443.db2.gz XXOBLKCMFQLDDV-CABCVRRESA-N 2 1 330.501 3.095 20 0 EGADMP CCOc1cc(C[NH2+][C@H](C[NH3+])C2CC2)ccc1OCc1ccccc1 ZINC000414802747 309102360 /nfs/dbraw/zinc/10/23/60/309102360.db2.gz NCCKJZIJTYKKAB-LJQANCHMSA-N 2 1 340.467 3.491 20 0 EGADMP C[NH2+]CCC[NH2+]Cc1cc(Br)cc(C)c1OC(F)F ZINC000414857771 309106029 /nfs/dbraw/zinc/10/60/29/309106029.db2.gz FYURVFDGQPWDLG-UHFFFAOYSA-N 2 1 337.208 3.058 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1OCc1ccccc1 ZINC000414884538 309107224 /nfs/dbraw/zinc/10/72/24/309107224.db2.gz FLRKNKFACVSVIQ-GOSISDBHSA-N 2 1 326.440 3.101 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414936544 309110095 /nfs/dbraw/zinc/11/00/95/309110095.db2.gz WRJHRCCUCVUONM-YJBOKZPZSA-N 2 1 331.504 3.334 20 0 EGADMP FC(F)Oc1c(Br)cccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415073501 309118361 /nfs/dbraw/zinc/11/83/61/309118361.db2.gz YOZBTZADKPHNKW-UHFFFAOYSA-N 2 1 349.219 3.282 20 0 EGADMP COc1ccc(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1OC ZINC000415086057 309119393 /nfs/dbraw/zinc/11/93/93/309119393.db2.gz ROZJQZOMJWHGLG-OALUTQOASA-N 2 1 340.467 3.329 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000415134328 309123034 /nfs/dbraw/zinc/12/30/34/309123034.db2.gz VZULSYCTWBBZDF-KGLIPLIRSA-N 2 1 332.879 3.157 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000415134328 309123035 /nfs/dbraw/zinc/12/30/35/309123035.db2.gz VZULSYCTWBBZDF-KGLIPLIRSA-N 2 1 332.879 3.157 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000415922182 309148852 /nfs/dbraw/zinc/14/88/52/309148852.db2.gz SWTYNTVZCYIOGG-HNNXBMFYSA-N 2 1 332.492 3.038 20 0 EGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416160404 309161424 /nfs/dbraw/zinc/16/14/24/309161424.db2.gz XZUMRFUHVLBMJL-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+]1CCN(c2ccccc2CNc2ccc3[nH]c[nH+]c3c2)CC1 ZINC000419724717 309271203 /nfs/dbraw/zinc/27/12/03/309271203.db2.gz HLVRGZOOONYBRD-UHFFFAOYSA-N 2 1 335.455 3.317 20 0 EGADMP COC(=O)CC1(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000420305448 309280720 /nfs/dbraw/zinc/28/07/20/309280720.db2.gz GIOKGSFQOOVPMC-OALUTQOASA-N 2 1 344.499 3.002 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccn(-c4ccc(Cl)cc4)n3)C[C@H]21 ZINC000420307417 309280767 /nfs/dbraw/zinc/28/07/67/309280767.db2.gz MGEDWVYIDKUZGN-FSPWUOQZSA-N 2 1 330.863 3.085 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccn(-c4ccc(Cl)cc4)n3)C[C@H]21 ZINC000420307417 309280768 /nfs/dbraw/zinc/28/07/68/309280768.db2.gz MGEDWVYIDKUZGN-FSPWUOQZSA-N 2 1 330.863 3.085 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000420310033 309281067 /nfs/dbraw/zinc/28/10/67/309281067.db2.gz USMKDIQDPQYRIB-HKUYNNGSSA-N 2 1 342.458 3.441 20 0 EGADMP CC[C@@H](C)[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000420318286 309281748 /nfs/dbraw/zinc/28/17/48/309281748.db2.gz OILINXJOFLKCOH-HZPDHXFCSA-N 2 1 342.487 3.326 20 0 EGADMP CCOc1ccc(C[N@@H+](C)C[C@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC000420319394 309281912 /nfs/dbraw/zinc/28/19/12/309281912.db2.gz PLJFWQHVDNSCQR-SFHVURJKSA-N 2 1 328.456 3.268 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H](c3nc(C)cs3)C2)cc1 ZINC000420327349 309282248 /nfs/dbraw/zinc/28/22/48/309282248.db2.gz YOIKMMDXBMERTB-IAGOWNOFSA-N 2 1 345.512 3.382 20 0 EGADMP C[C@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000420331668 309282845 /nfs/dbraw/zinc/28/28/45/309282845.db2.gz IRKVWZGIRVSKSA-DOTOQJQBSA-N 2 1 325.456 3.228 20 0 EGADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000420331668 309282846 /nfs/dbraw/zinc/28/28/46/309282846.db2.gz IRKVWZGIRVSKSA-DOTOQJQBSA-N 2 1 325.456 3.228 20 0 EGADMP FC(F)Oc1ccc([C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000420354209 309283769 /nfs/dbraw/zinc/28/37/69/309283769.db2.gz CMWBTOCRIIURRT-QGZVFWFLSA-N 2 1 340.414 3.051 20 0 EGADMP Cc1ccc(-c2noc(CCC[NH2+][C@@H]3[C@H](C)CC[NH2+][C@H]3C)n2)cc1F ZINC000420379182 309285367 /nfs/dbraw/zinc/28/53/67/309285367.db2.gz XMPMNXOFPLWEMZ-QWQRMKEZSA-N 2 1 346.450 3.093 20 0 EGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(F)cc1Br ZINC000420382851 309285518 /nfs/dbraw/zinc/28/55/18/309285518.db2.gz YUOGSSIAPHXSKH-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420387268 309285653 /nfs/dbraw/zinc/28/56/53/309285653.db2.gz VSIRPTFOXGRHKL-BEFAXECRSA-N 2 1 327.476 3.258 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCOC(C)(C)C1 ZINC000420965006 309304945 /nfs/dbraw/zinc/30/49/45/309304945.db2.gz OJWLKKOKKXVUMA-FQEVSTJZSA-N 2 1 346.515 3.298 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCOC(C)(C)C1 ZINC000420965006 309304946 /nfs/dbraw/zinc/30/49/46/309304946.db2.gz OJWLKKOKKXVUMA-FQEVSTJZSA-N 2 1 346.515 3.298 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCc3ccc(C)cc3)CC2)CC1 ZINC000420972473 309305183 /nfs/dbraw/zinc/30/51/83/309305183.db2.gz AZKCDJCUAXFLOB-UHFFFAOYSA-N 2 1 343.559 3.420 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](C)c3ccccc3)CC2)CC1 ZINC000420982572 309305657 /nfs/dbraw/zinc/30/56/57/309305657.db2.gz PMNLDMFYKURKTI-IBGZPJMESA-N 2 1 329.532 3.282 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](C)c3ccc(F)cc3)CC2)CC1 ZINC000421369843 309321119 /nfs/dbraw/zinc/32/11/19/309321119.db2.gz IAMBHZDVPWZBLE-SFHVURJKSA-N 2 1 347.522 3.421 20 0 EGADMP CCN(C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)[C@@H](C)c1ccc(F)cc1 ZINC000422633895 309362990 /nfs/dbraw/zinc/36/29/90/309362990.db2.gz JARRLHDEFCPOPU-CVYDXHPNSA-N 2 1 349.494 3.040 20 0 EGADMP CCN(C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)[C@@H](C)c1ccc(F)cc1 ZINC000422633895 309362991 /nfs/dbraw/zinc/36/29/91/309362991.db2.gz JARRLHDEFCPOPU-CVYDXHPNSA-N 2 1 349.494 3.040 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C[C@H]1C[NH3+] ZINC000422631146 309363048 /nfs/dbraw/zinc/36/30/48/309363048.db2.gz FBUYXVUWRVOQHI-FUHIMQAGSA-N 2 1 343.515 3.118 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])ccc1OC(F)F ZINC000422696600 309363460 /nfs/dbraw/zinc/36/34/60/309363460.db2.gz RZMGSKNFKPQSRO-ZIAGYGMSSA-N 2 1 328.403 3.436 20 0 EGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422716167 309364547 /nfs/dbraw/zinc/36/45/47/309364547.db2.gz MZLXWVJFQWHWGK-IRXDYDNUSA-N 2 1 327.428 3.282 20 0 EGADMP C[C@H](N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000422725940 309365306 /nfs/dbraw/zinc/36/53/06/309365306.db2.gz CPXQQGURDDTMDR-ILZDJORESA-N 2 1 329.532 3.047 20 0 EGADMP C[C@H](N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000422725940 309365307 /nfs/dbraw/zinc/36/53/07/309365307.db2.gz CPXQQGURDDTMDR-ILZDJORESA-N 2 1 329.532 3.047 20 0 EGADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422734744 309365869 /nfs/dbraw/zinc/36/58/69/309365869.db2.gz TWYOPNUDYVPMPC-JGUMPVPUSA-N 2 1 341.543 3.332 20 0 EGADMP CC(C)(C)[C@@H](CN1CCc2ccccc2C1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422734744 309365870 /nfs/dbraw/zinc/36/58/70/309365870.db2.gz TWYOPNUDYVPMPC-JGUMPVPUSA-N 2 1 341.543 3.332 20 0 EGADMP CC1CCN([C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c2cccs2)CC1 ZINC000422747363 309366182 /nfs/dbraw/zinc/36/61/82/309366182.db2.gz PYZOIUCBIJAUJU-KZNAEPCWSA-N 2 1 335.561 3.499 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)cc1 ZINC000422773297 309367539 /nfs/dbraw/zinc/36/75/39/309367539.db2.gz ZSFUKNWWPYTSKG-FSSWDIPSSA-N 2 1 335.495 3.344 20 0 EGADMP CCN(CC)[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cccc(OC)c1 ZINC000422788491 309368186 /nfs/dbraw/zinc/36/81/86/309368186.db2.gz AVFNAENFCRSIFZ-DFQSSKMNSA-N 2 1 333.520 3.185 20 0 EGADMP CC[C@H]([NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000422797778 309368928 /nfs/dbraw/zinc/36/89/28/309368928.db2.gz OKQMXCOSNAUFDY-KKXDTOCCSA-N 2 1 342.886 3.140 20 0 EGADMP c1cc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(C[NH+]2CCCCCC2)c1 ZINC000422828595 309370672 /nfs/dbraw/zinc/37/06/72/309370672.db2.gz OJRCGPDNIPHNJA-WCRBZPEASA-N 2 1 327.516 3.435 20 0 EGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422832768 309370990 /nfs/dbraw/zinc/37/09/90/309370990.db2.gz FYBLMLSKEPWGLR-VBSBHUPXSA-N 3 1 347.572 3.470 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422832768 309370991 /nfs/dbraw/zinc/37/09/91/309370991.db2.gz FYBLMLSKEPWGLR-VBSBHUPXSA-N 3 1 347.572 3.470 20 0 EGADMP c1csc(C[N@H+]2CCC[C@H](CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422832768 309370992 /nfs/dbraw/zinc/37/09/92/309370992.db2.gz FYBLMLSKEPWGLR-VBSBHUPXSA-N 2 1 347.572 3.470 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@H](CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422832768 309370993 /nfs/dbraw/zinc/37/09/93/309370993.db2.gz FYBLMLSKEPWGLR-VBSBHUPXSA-N 2 1 347.572 3.470 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)c(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000422945109 309377437 /nfs/dbraw/zinc/37/74/37/309377437.db2.gz UATYEADPZSEKNW-RWSFTLGLSA-N 2 1 329.257 3.249 20 0 EGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CCO2 ZINC000423053430 309383252 /nfs/dbraw/zinc/38/32/52/309383252.db2.gz SGFXIKBQKXCKND-KANFNMMFSA-N 2 1 330.472 3.419 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000423056570 309383598 /nfs/dbraw/zinc/38/35/98/309383598.db2.gz YMROWHIUHZLMMA-KBRIMQKVSA-N 2 1 343.437 3.286 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000423061583 309383836 /nfs/dbraw/zinc/38/38/36/309383836.db2.gz LBTBARFZAMXZCB-GZBFAFLISA-N 2 1 327.394 3.014 20 0 EGADMP Fc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000423081118 309384982 /nfs/dbraw/zinc/38/49/82/309384982.db2.gz BFECNBDINVZNKO-DABHTEOTSA-N 2 1 332.463 3.209 20 0 EGADMP Fc1cc(-c2ccco2)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423087409 309385351 /nfs/dbraw/zinc/38/53/51/309385351.db2.gz POQPDMMBISMTAU-YTQUADARSA-N 2 1 344.430 3.332 20 0 EGADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423112608 309386734 /nfs/dbraw/zinc/38/67/34/309386734.db2.gz SFDGVLRSYHYHIO-WCQYABFASA-N 2 1 332.366 3.201 20 0 EGADMP CC(C)c1nnc(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)s1 ZINC000423133195 309387619 /nfs/dbraw/zinc/38/76/19/309387619.db2.gz PWXFPIFGOOJFQE-CVEARBPZSA-N 2 1 330.501 3.287 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423142257 309388153 /nfs/dbraw/zinc/38/81/53/309388153.db2.gz UUEBSRMYTSDIOY-CBQMWWCCSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423142257 309388154 /nfs/dbraw/zinc/38/81/54/309388154.db2.gz UUEBSRMYTSDIOY-CBQMWWCCSA-N 3 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423142257 309388155 /nfs/dbraw/zinc/38/81/55/309388155.db2.gz UUEBSRMYTSDIOY-CBQMWWCCSA-N 3 1 327.516 3.161 20 0 EGADMP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000423182445 309389292 /nfs/dbraw/zinc/38/92/92/309389292.db2.gz KJKUNMSVJQXXCR-AWEZNQCLSA-N 2 1 325.250 3.004 20 0 EGADMP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000423217567 309390935 /nfs/dbraw/zinc/39/09/35/309390935.db2.gz QHOFLGNIWWIRFT-GJHJYOIJSA-N 3 1 329.532 3.407 20 0 EGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423272528 309393643 /nfs/dbraw/zinc/39/36/43/309393643.db2.gz ZBXCUGACVQEMJH-DOTOQJQBSA-N 2 1 330.476 3.023 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000423355995 309396784 /nfs/dbraw/zinc/39/67/84/309396784.db2.gz GGWXSOXAPXZHDY-RZQQEMMASA-N 2 1 337.467 3.272 20 0 EGADMP C[C@H](CC1CCOCC1)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423358622 309396823 /nfs/dbraw/zinc/39/68/23/309396823.db2.gz BZYVVBGRHBCUIC-AZOIQLNYSA-N 2 1 338.442 3.205 20 0 EGADMP CC1(C)CCC[NH2+][C@H]1C[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423372369 309397621 /nfs/dbraw/zinc/39/76/21/309397621.db2.gz BGZHANBSDIHSJI-SFHVURJKSA-N 2 1 337.458 3.301 20 0 EGADMP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H](C)[NH3+] ZINC000423389205 309398273 /nfs/dbraw/zinc/39/82/73/309398273.db2.gz LGXCANLAHCERBQ-BWPNAZKDSA-N 2 1 345.531 3.117 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000423486711 309402434 /nfs/dbraw/zinc/40/24/34/309402434.db2.gz BXSFFBMCVASJPC-JKSUJKDBSA-N 2 1 330.394 3.371 20 0 EGADMP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000430587944 309611986 /nfs/dbraw/zinc/61/19/86/309611986.db2.gz XOHKKSMSCUBMHX-LBPRGKRZSA-N 2 1 341.858 3.128 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449037657 310031898 /nfs/dbraw/zinc/03/18/98/310031898.db2.gz NVUCPKHHZDKXLL-MRXNPFEDSA-N 2 1 344.478 3.390 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449037657 310031899 /nfs/dbraw/zinc/03/18/99/310031899.db2.gz NVUCPKHHZDKXLL-MRXNPFEDSA-N 2 1 344.478 3.390 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449037657 310031900 /nfs/dbraw/zinc/03/19/00/310031900.db2.gz NVUCPKHHZDKXLL-MRXNPFEDSA-N 2 1 344.478 3.390 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449037657 310031901 /nfs/dbraw/zinc/03/19/01/310031901.db2.gz NVUCPKHHZDKXLL-MRXNPFEDSA-N 2 1 344.478 3.390 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449095537 310036667 /nfs/dbraw/zinc/03/66/67/310036667.db2.gz ZETLDVPRNTYFNC-OAHLLOKOSA-N 2 1 330.451 3.048 20 0 EGADMP COc1cccc2c(C[NH2+]C[C@H](O)C[NH+]3CCC(C)CC3)cccc12 ZINC000449120350 310038470 /nfs/dbraw/zinc/03/84/70/310038470.db2.gz CRCDVNUIUNFCJZ-SFHVURJKSA-N 2 1 342.483 3.031 20 0 EGADMP Cn1cc(C[N@H+](C)CCC[NH+]2CCCC2)c(-c2ccc(F)cc2)n1 ZINC000449301045 310051715 /nfs/dbraw/zinc/05/17/15/310051715.db2.gz GGWYQAHURBDCBY-UHFFFAOYSA-N 2 1 330.451 3.144 20 0 EGADMP Cn1cc(C[N@@H+](C)CCC[NH+]2CCCC2)c(-c2ccc(F)cc2)n1 ZINC000449301045 310051716 /nfs/dbraw/zinc/05/17/16/310051716.db2.gz GGWYQAHURBDCBY-UHFFFAOYSA-N 2 1 330.451 3.144 20 0 EGADMP CCN(C)C(=O)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(C)C ZINC000449439233 310062142 /nfs/dbraw/zinc/06/21/42/310062142.db2.gz HBXBMXFNABAPOK-UHOSZYNNSA-N 2 1 337.552 3.122 20 0 EGADMP OC[C@@H]([C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1)C1CC1 ZINC000449510265 310067919 /nfs/dbraw/zinc/06/79/19/310067919.db2.gz PYENACQFNCGREB-RTWAWAEBSA-N 2 1 328.500 3.038 20 0 EGADMP CCCc1ncc(C[NH2+]Cc2ccccc2N2CC[NH+](CC)CC2)o1 ZINC000449612597 310075409 /nfs/dbraw/zinc/07/54/09/310075409.db2.gz NENOCJPPGBLRAV-UHFFFAOYSA-N 2 1 342.487 3.059 20 0 EGADMP COc1cccc([C@H]2C[C@H]([NH2+]Cc3ncc(C[NH+](C)C)s3)C2)c1 ZINC000449620171 310075594 /nfs/dbraw/zinc/07/55/94/310075594.db2.gz SXBYPNFGZDMARO-SHTZXODSSA-N 2 1 331.485 3.249 20 0 EGADMP CO[C@@H]([C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1 ZINC000449635956 310076638 /nfs/dbraw/zinc/07/66/38/310076638.db2.gz YTSHSFXFEYNVIZ-YWZLYKJASA-N 2 1 334.479 3.236 20 0 EGADMP C[N@H+](CCc1cscn1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000450656213 310135561 /nfs/dbraw/zinc/13/55/61/310135561.db2.gz VFGWOXPQBNRGJY-UHFFFAOYSA-N 2 1 330.501 3.319 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CCC3=CCCCC3)C2)CC1 ZINC000451534932 310183704 /nfs/dbraw/zinc/18/37/04/310183704.db2.gz ZHDHMFBEKJVBOL-NRFANRHFSA-N 2 1 347.547 3.143 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CCC3=CCCCC3)C2)CC1 ZINC000451534932 310183705 /nfs/dbraw/zinc/18/37/05/310183705.db2.gz ZHDHMFBEKJVBOL-NRFANRHFSA-N 2 1 347.547 3.143 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC000451534932 310183706 /nfs/dbraw/zinc/18/37/06/310183706.db2.gz ZHDHMFBEKJVBOL-NRFANRHFSA-N 2 1 347.547 3.143 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CCC3=CCCCC3)C2)CC1 ZINC000451534932 310183707 /nfs/dbraw/zinc/18/37/07/310183707.db2.gz ZHDHMFBEKJVBOL-NRFANRHFSA-N 2 1 347.547 3.143 20 0 EGADMP CCO[C@@H]1CC[N@@H+](C[C@@H](C)C[NH+]2CC[C@H](OCC)[C@@H](C)C2)C[C@H]1C ZINC000451551485 310185555 /nfs/dbraw/zinc/18/55/55/310185555.db2.gz XYHREWHEYLRTFD-NCQGUEQISA-N 2 1 340.552 3.116 20 0 EGADMP CCO[C@@H]1CC[NH+](C[C@@H](C)C[N@@H+]2CC[C@H](OCC)[C@@H](C)C2)C[C@H]1C ZINC000451551485 310185556 /nfs/dbraw/zinc/18/55/56/310185556.db2.gz XYHREWHEYLRTFD-NCQGUEQISA-N 2 1 340.552 3.116 20 0 EGADMP CCO[C@@H]1CC[NH+](C[C@@H](C)C[N@H+]2CC[C@H](OCC)[C@@H](C)C2)C[C@H]1C ZINC000451551485 310185557 /nfs/dbraw/zinc/18/55/57/310185557.db2.gz XYHREWHEYLRTFD-NCQGUEQISA-N 2 1 340.552 3.116 20 0 EGADMP CO[C@@H]1CC[N@@H+](C/C=C/C[NH+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451561650 310186602 /nfs/dbraw/zinc/18/66/02/310186602.db2.gz IHCKGAIJULOCCS-BNPWSIICSA-N 2 1 338.536 3.036 20 0 EGADMP CO[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451561650 310186603 /nfs/dbraw/zinc/18/66/03/310186603.db2.gz IHCKGAIJULOCCS-BNPWSIICSA-N 2 1 338.536 3.036 20 0 EGADMP CO[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451561650 310186604 /nfs/dbraw/zinc/18/66/04/310186604.db2.gz IHCKGAIJULOCCS-BNPWSIICSA-N 2 1 338.536 3.036 20 0 EGADMP CC1CC[NH+](CCN2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)CC1 ZINC000451703555 310193484 /nfs/dbraw/zinc/19/34/84/310193484.db2.gz FEWRDYMNCDNESX-HXUWFJFHSA-N 2 1 329.532 3.172 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451910134 310203357 /nfs/dbraw/zinc/20/33/57/310203357.db2.gz MANIAIQNEFZPGY-INIZCTEOSA-N 2 1 342.270 3.386 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3CCOCC3)[C@H]3CCC[C@H]32)cc1 ZINC000453077675 310256571 /nfs/dbraw/zinc/25/65/71/310256571.db2.gz BIFZDPFRMNYKAA-QHAWAJNXSA-N 2 1 328.500 3.446 20 0 EGADMP Cn1ccnc1[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000453107595 310258444 /nfs/dbraw/zinc/25/84/44/310258444.db2.gz LLOSOTGTUAREBW-GOSISDBHSA-N 2 1 346.906 3.484 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCOC1 ZINC000453134344 310260158 /nfs/dbraw/zinc/26/01/58/310260158.db2.gz ZMYCFXAYRNAUAY-JSXRDJHFSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@H](c1cccc(OCC[NH+](C)C)c1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453339503 310271792 /nfs/dbraw/zinc/27/17/92/310271792.db2.gz BVMQTQDWRPILPQ-YLJYHZDGSA-N 2 1 332.488 3.191 20 0 EGADMP C[N@@H+](CCCC[NH2+]C1CCN(c2ccc(F)cc2F)CC1)C1CC1 ZINC000453415038 310275822 /nfs/dbraw/zinc/27/58/22/310275822.db2.gz WZJNFECDIRVWNV-UHFFFAOYSA-N 2 1 337.458 3.398 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455872153 310380563 /nfs/dbraw/zinc/38/05/63/310380563.db2.gz YPSIEALRUYBKOU-HNAYVOBHSA-N 2 1 346.519 3.477 20 0 EGADMP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000456735446 310420475 /nfs/dbraw/zinc/42/04/75/310420475.db2.gz WDYCBLFNTLDQTH-MRXNPFEDSA-N 2 1 346.519 3.120 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459406130 310550469 /nfs/dbraw/zinc/55/04/69/310550469.db2.gz KPVNZZVRTUTYQJ-RDJZCZTQSA-N 2 1 332.492 3.050 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C)c1 ZINC000482135867 310926945 /nfs/dbraw/zinc/92/69/45/310926945.db2.gz OJKAGILFNUWGED-HKUYNNGSSA-N 2 1 331.504 3.424 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1)C1CC1 ZINC000487472180 311025152 /nfs/dbraw/zinc/02/51/52/311025152.db2.gz WAWGXJUAFIOYCV-QUCCMNQESA-N 2 1 343.515 3.274 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000492695894 311281286 /nfs/dbraw/zinc/28/12/86/311281286.db2.gz KHWCPKOEYQDLME-IAGOWNOFSA-N 2 1 337.508 3.064 20 0 EGADMP FC(F)(F)CC[NH+]1CCC(N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000507494614 312074951 /nfs/dbraw/zinc/07/49/51/312074951.db2.gz KDXDMSUQOZXFGG-KRWDZBQOSA-N 2 1 347.469 3.257 20 0 EGADMP CC[C@H](CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000508714052 312100782 /nfs/dbraw/zinc/10/07/82/312100782.db2.gz GUXVYZBBZBOGMO-HLAWJBBLSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(C3CCC3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000508878911 312104485 /nfs/dbraw/zinc/10/44/85/312104485.db2.gz OCONVWUASJRTJA-GCJKJVERSA-N 2 1 341.543 3.412 20 0 EGADMP Cc1ccc([C@H](C)[N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000511657001 312165926 /nfs/dbraw/zinc/16/59/26/312165926.db2.gz DOHNSALJUSOPMI-SFHVURJKSA-N 2 1 345.531 3.285 20 0 EGADMP Cc1cc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1F ZINC000512187742 312178498 /nfs/dbraw/zinc/17/84/98/312178498.db2.gz RXYNHBBWWOCFER-CALCHBBNSA-N 2 1 334.479 3.455 20 0 EGADMP CC[C@@H](C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C)[NH+]1CCCC1 ZINC000513762862 312217504 /nfs/dbraw/zinc/21/75/04/312217504.db2.gz UBXVMQLBEDWUMX-QAPCUYQASA-N 2 1 334.504 3.407 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000515430228 312282492 /nfs/dbraw/zinc/28/24/92/312282492.db2.gz RXADQFBQZWHRLJ-UHFFFAOYSA-N 2 1 345.531 3.141 20 0 EGADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c(OC2CCCC2)c1 ZINC000519138266 312441608 /nfs/dbraw/zinc/44/16/08/312441608.db2.gz NAAMVFWEOFFYPE-JKSUJKDBSA-N 2 1 332.488 3.494 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000520834493 312522089 /nfs/dbraw/zinc/52/20/89/312522089.db2.gz DJKZZDSFZFKXBG-LJQANCHMSA-N 2 1 325.456 3.037 20 0 EGADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCC23CCCC3)c2cccs2)CC1 ZINC000530545660 313552981 /nfs/dbraw/zinc/55/29/81/313552981.db2.gz CNHLXDYWPAOZMR-FUHWJXTLSA-N 2 1 333.545 3.349 20 0 EGADMP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccs1 ZINC000531710708 313704409 /nfs/dbraw/zinc/70/44/09/313704409.db2.gz SHTUXXNBKLYCOW-SJLPKXTDSA-N 2 1 329.513 3.387 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@H](C(C)C)[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537992148 314222302 /nfs/dbraw/zinc/22/23/02/314222302.db2.gz YMACMKVTYNPWMF-YUXAGFNASA-N 2 1 343.559 3.389 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537992148 314222306 /nfs/dbraw/zinc/22/23/06/314222306.db2.gz YMACMKVTYNPWMF-YUXAGFNASA-N 2 1 343.559 3.389 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537992148 314222308 /nfs/dbraw/zinc/22/23/08/314222308.db2.gz YMACMKVTYNPWMF-YUXAGFNASA-N 2 1 343.559 3.389 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C(C)C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537992148 314222313 /nfs/dbraw/zinc/22/23/13/314222313.db2.gz YMACMKVTYNPWMF-YUXAGFNASA-N 2 1 343.559 3.389 20 0 EGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000538761200 314273857 /nfs/dbraw/zinc/27/38/57/314273857.db2.gz PRDRUPFVDFQSBW-HXUWFJFHSA-N 2 1 345.531 3.074 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2Cc3ccccc3C2)[C@H](C)C1 ZINC000539070496 314293735 /nfs/dbraw/zinc/29/37/35/314293735.db2.gz LZWXOIAIEKCCOD-DYESRHJHSA-N 2 1 330.516 3.128 20 0 EGADMP CCCCO[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1(C)C ZINC000539497438 314317431 /nfs/dbraw/zinc/31/74/31/314317431.db2.gz WOYRSDSVEIDIRM-MSOLQXFVSA-N 2 1 338.536 3.205 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cccc(F)c2F)[C@H](C)C1 ZINC000540177314 314367617 /nfs/dbraw/zinc/36/76/17/314367617.db2.gz CTIZQRASMSZVQF-QAPCUYQASA-N 2 1 340.458 3.234 20 0 EGADMP CC(C)[C@@H]1C[NH+](CCCC[N@H+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000550187657 315119873 /nfs/dbraw/zinc/11/98/73/315119873.db2.gz GXEIKFSJOGYNKA-BGYRXZFFSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)[C@@H]1C[N@H+](CCCC[NH+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000550187657 315119876 /nfs/dbraw/zinc/11/98/76/315119876.db2.gz GXEIKFSJOGYNKA-BGYRXZFFSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)[C@@H]1C[N@@H+](CCCC[NH+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000550187657 315119878 /nfs/dbraw/zinc/11/98/78/315119878.db2.gz GXEIKFSJOGYNKA-BGYRXZFFSA-N 2 1 340.552 3.260 20 0 EGADMP CSc1ccc([C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)N(C)C)cc1 ZINC000551310428 315149680 /nfs/dbraw/zinc/14/96/80/315149680.db2.gz FXCIPCUNXFTTSS-FQEVSTJZSA-N 2 1 347.572 3.475 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1CC[NH+](C)C1)C1CCCCC1 ZINC000551833320 315171109 /nfs/dbraw/zinc/17/11/09/315171109.db2.gz WMKBEOCTAUOANA-IBGZPJMESA-N 2 1 343.515 3.019 20 0 EGADMP C[NH+](Cc1ccccc1CNC(=O)[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC000551833320 315171113 /nfs/dbraw/zinc/17/11/13/315171113.db2.gz WMKBEOCTAUOANA-IBGZPJMESA-N 2 1 343.515 3.019 20 0 EGADMP C[NH+](Cc1ccccc1CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC000551833320 315171115 /nfs/dbraw/zinc/17/11/15/315171115.db2.gz WMKBEOCTAUOANA-IBGZPJMESA-N 2 1 343.515 3.019 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000552246065 315208491 /nfs/dbraw/zinc/20/84/91/315208491.db2.gz HIOQCIAXGNCLTM-MWXLCCTBSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000552246065 315208494 /nfs/dbraw/zinc/20/84/94/315208494.db2.gz HIOQCIAXGNCLTM-MWXLCCTBSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000552246065 315208497 /nfs/dbraw/zinc/20/84/97/315208497.db2.gz HIOQCIAXGNCLTM-MWXLCCTBSA-N 3 1 329.532 3.361 20 0 EGADMP CN1CCC[C@@H](C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000552246065 315208501 /nfs/dbraw/zinc/20/85/01/315208501.db2.gz HIOQCIAXGNCLTM-MWXLCCTBSA-N 2 1 329.532 3.361 20 0 EGADMP CN1CCC[C@@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000552246065 315208505 /nfs/dbraw/zinc/20/85/05/315208505.db2.gz HIOQCIAXGNCLTM-MWXLCCTBSA-N 2 1 329.532 3.361 20 0 EGADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CC[C@@H]2C2CC2)[C@H](c2ccccc2)C1 ZINC000554049424 315295509 /nfs/dbraw/zinc/29/55/09/315295509.db2.gz QYVCRNRHVVTBEN-NJYVYQBISA-N 2 1 327.516 3.143 20 0 EGADMP C[N@H+]1CCN(CCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)[C@H](c2ccccc2)C1 ZINC000554724539 315345783 /nfs/dbraw/zinc/34/57/83/315345783.db2.gz JRIBBDRSWXYIJA-WOZUAGRISA-N 2 1 327.516 3.143 20 0 EGADMP C[C@@H]1C[C@H](C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000554961072 315359650 /nfs/dbraw/zinc/35/96/50/315359650.db2.gz RSWQBDXCMVSHNU-PBASOCQRSA-N 2 1 328.500 3.255 20 0 EGADMP C[C@@H]1C[C@H](C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000554961072 315359651 /nfs/dbraw/zinc/35/96/51/315359651.db2.gz RSWQBDXCMVSHNU-PBASOCQRSA-N 2 1 328.500 3.255 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](CN[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000564319470 316135337 /nfs/dbraw/zinc/13/53/37/316135337.db2.gz SNOLSPAYLBNFMQ-SESVDKBCSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@@H](CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000564319470 316135340 /nfs/dbraw/zinc/13/53/40/316135340.db2.gz SNOLSPAYLBNFMQ-SESVDKBCSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@@H](CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000564319470 316135344 /nfs/dbraw/zinc/13/53/44/316135344.db2.gz SNOLSPAYLBNFMQ-SESVDKBCSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000564319470 316135349 /nfs/dbraw/zinc/13/53/49/316135349.db2.gz SNOLSPAYLBNFMQ-SESVDKBCSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000564319470 316135353 /nfs/dbraw/zinc/13/53/53/316135353.db2.gz SNOLSPAYLBNFMQ-SESVDKBCSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000564319470 316135356 /nfs/dbraw/zinc/13/53/56/316135356.db2.gz SNOLSPAYLBNFMQ-SESVDKBCSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000564319470 316135360 /nfs/dbraw/zinc/13/53/60/316135360.db2.gz SNOLSPAYLBNFMQ-SESVDKBCSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)CC(F)(F)F)CC1 ZINC000564853401 316218330 /nfs/dbraw/zinc/21/83/30/316218330.db2.gz DMZNMXDWDAHZOL-BBRMVZONSA-N 2 1 330.394 3.115 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ncc(Br)s1 ZINC000564989671 316243027 /nfs/dbraw/zinc/24/30/27/316243027.db2.gz WQCZETAUQBMPCQ-VIFPVBQESA-N 2 1 326.263 3.215 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H]3CCCC[C@H]3O)C2)s1 ZINC000565049428 316255843 /nfs/dbraw/zinc/25/58/43/316255843.db2.gz PQJBISRBSITQSR-ZIFCJYIRSA-N 2 1 336.545 3.361 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCCC[C@H]3O)C2)s1 ZINC000565049428 316255846 /nfs/dbraw/zinc/25/58/46/316255846.db2.gz PQJBISRBSITQSR-ZIFCJYIRSA-N 2 1 336.545 3.361 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCCC[C@H]3O)C2)s1 ZINC000565049428 316255849 /nfs/dbraw/zinc/25/58/49/316255849.db2.gz PQJBISRBSITQSR-ZIFCJYIRSA-N 2 1 336.545 3.361 20 0 EGADMP Fc1ccccc1-c1cnc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000565308492 316307559 /nfs/dbraw/zinc/30/75/59/316307559.db2.gz VRDZKAWBYTYXJA-GJZGRUSLSA-N 2 1 329.419 3.302 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000565315062 316308617 /nfs/dbraw/zinc/30/86/17/316308617.db2.gz LIBULCGCKCMNGF-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000565568201 316339880 /nfs/dbraw/zinc/33/98/80/316339880.db2.gz WMHOXMVVWBQUIV-IBGZPJMESA-N 2 1 347.522 3.153 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000565568201 316339882 /nfs/dbraw/zinc/33/98/82/316339882.db2.gz WMHOXMVVWBQUIV-IBGZPJMESA-N 2 1 347.522 3.153 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000565568201 316339885 /nfs/dbraw/zinc/33/98/85/316339885.db2.gz WMHOXMVVWBQUIV-IBGZPJMESA-N 3 1 347.522 3.153 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000565652204 316351838 /nfs/dbraw/zinc/35/18/38/316351838.db2.gz AOKZWBKISMVGIB-SIKLNZKXSA-N 2 1 340.511 3.311 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000565690424 316356132 /nfs/dbraw/zinc/35/61/32/316356132.db2.gz TXBDLEIXEXEJKA-UZKOGDIHSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000565690424 316356135 /nfs/dbraw/zinc/35/61/35/316356135.db2.gz TXBDLEIXEXEJKA-UZKOGDIHSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000565690424 316356138 /nfs/dbraw/zinc/35/61/38/316356138.db2.gz TXBDLEIXEXEJKA-UZKOGDIHSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000565690424 316356142 /nfs/dbraw/zinc/35/61/42/316356142.db2.gz TXBDLEIXEXEJKA-UZKOGDIHSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000565690424 316356145 /nfs/dbraw/zinc/35/61/45/316356145.db2.gz TXBDLEIXEXEJKA-UZKOGDIHSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H](CCSc1ccccc1)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000570970499 317134154 /nfs/dbraw/zinc/13/41/54/317134154.db2.gz OANKDSKDNKZYHX-KRWDZBQOSA-N 2 1 348.556 3.384 20 0 EGADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000571035661 317142285 /nfs/dbraw/zinc/14/22/85/317142285.db2.gz PHBGFBISUBYGKC-OAHLLOKOSA-N 2 1 343.475 3.187 20 0 EGADMP Cc1cccc(C)c1OC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000572325460 317321264 /nfs/dbraw/zinc/32/12/64/317321264.db2.gz FLGWIMZJDOPFEK-RBUKOAKNSA-N 2 1 348.531 3.142 20 0 EGADMP Cc1cccc(C)c1OC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000572325460 317321269 /nfs/dbraw/zinc/32/12/69/317321269.db2.gz FLGWIMZJDOPFEK-RBUKOAKNSA-N 2 1 348.531 3.142 20 0 EGADMP CC1=CC[N@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000572482473 317345621 /nfs/dbraw/zinc/34/56/21/317345621.db2.gz VDGMJCKURYGAHC-OAQYLSRUSA-N 2 1 339.527 3.425 20 0 EGADMP CC1=CC[N@@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000572482473 317345625 /nfs/dbraw/zinc/34/56/25/317345625.db2.gz VDGMJCKURYGAHC-OAQYLSRUSA-N 2 1 339.527 3.425 20 0 EGADMP CC1=CC[NH+](CCN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000572482473 317345629 /nfs/dbraw/zinc/34/56/29/317345629.db2.gz VDGMJCKURYGAHC-OAQYLSRUSA-N 2 1 339.527 3.425 20 0 EGADMP CC1=CC[NH+](CCN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000572482473 317345633 /nfs/dbraw/zinc/34/56/33/317345633.db2.gz VDGMJCKURYGAHC-OAQYLSRUSA-N 2 1 339.527 3.425 20 0 EGADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000352820818 456336378 /nfs/dbraw/zinc/33/63/78/456336378.db2.gz ZPYPTSXODPTASY-XJKSGUPXSA-N 2 1 331.287 3.491 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000352820818 456336383 /nfs/dbraw/zinc/33/63/83/456336383.db2.gz ZPYPTSXODPTASY-XJKSGUPXSA-N 2 1 331.287 3.491 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000177211440 323337861 /nfs/dbraw/zinc/33/78/61/323337861.db2.gz ZCEVFQUKIALOCQ-ZDUSSCGKSA-N 2 1 329.282 3.068 20 0 EGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379680652 324242192 /nfs/dbraw/zinc/24/21/92/324242192.db2.gz NJLUXDYFLMEBQJ-WMZOPIPTSA-N 2 1 333.520 3.037 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000381933103 324247663 /nfs/dbraw/zinc/24/76/63/324247663.db2.gz SOCYFNANTYEYLH-OWCLPIDISA-N 2 1 327.513 3.142 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000381933103 324247665 /nfs/dbraw/zinc/24/76/65/324247665.db2.gz SOCYFNANTYEYLH-OWCLPIDISA-N 2 1 327.513 3.142 20 0 EGADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)O1 ZINC000383747907 324257215 /nfs/dbraw/zinc/25/72/15/324257215.db2.gz ZCVISPXQAVXIOW-MTQWCTHYSA-N 2 1 328.500 3.444 20 0 EGADMP CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000383770241 324257498 /nfs/dbraw/zinc/25/74/98/324257498.db2.gz NDTOZKGINJMGEB-MRXNPFEDSA-N 2 1 339.524 3.142 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(O)CCC(C)(C)CC2)[C@@H](C)C1 ZINC000579733401 325152850 /nfs/dbraw/zinc/15/28/50/325152850.db2.gz CEZNFWIJKRWXPL-ROUUACIJSA-N 2 1 340.552 3.044 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000580740234 325290272 /nfs/dbraw/zinc/29/02/72/325290272.db2.gz IIMLZCBGMJXZDE-SFHVURJKSA-N 2 1 339.483 3.407 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+][C@@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000580976060 325315846 /nfs/dbraw/zinc/31/58/46/325315846.db2.gz SHTOCPXCAFKTAL-DOIPELPJSA-N 2 1 328.500 3.446 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000356887954 457199119 /nfs/dbraw/zinc/19/91/19/457199119.db2.gz BYNGCEGMFXDMCT-IUODEOHRSA-N 2 1 326.868 3.177 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000356887954 457199127 /nfs/dbraw/zinc/19/91/27/457199127.db2.gz BYNGCEGMFXDMCT-IUODEOHRSA-N 2 1 326.868 3.177 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CCCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000183184921 455245744 /nfs/dbraw/zinc/24/57/44/455245744.db2.gz MBNDSAQRRRFOBJ-UYAOXDASSA-N 2 1 326.488 3.258 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CCCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000183184921 455245747 /nfs/dbraw/zinc/24/57/47/455245747.db2.gz MBNDSAQRRRFOBJ-UYAOXDASSA-N 2 1 326.488 3.258 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)CCCn2ccnc2)CC[NH+]1Cc1ccccc1 ZINC000183184921 455245752 /nfs/dbraw/zinc/24/57/52/455245752.db2.gz MBNDSAQRRRFOBJ-UYAOXDASSA-N 2 1 326.488 3.258 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)CCCn2ccnc2)CC[NH+]1Cc1ccccc1 ZINC000183184921 455245755 /nfs/dbraw/zinc/24/57/55/455245755.db2.gz MBNDSAQRRRFOBJ-UYAOXDASSA-N 2 1 326.488 3.258 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)Oc1ccc(Br)cc1 ZINC000483829922 459394963 /nfs/dbraw/zinc/39/49/63/459394963.db2.gz BPMMUPWKPYNOHZ-XJKCOSOUSA-N 2 1 341.293 3.146 20 0 EGADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)co2)c1 ZINC000631827444 460575231 /nfs/dbraw/zinc/57/52/31/460575231.db2.gz OOQXEVFJUSSPLF-DLBZAZTESA-N 2 1 341.455 3.172 20 0 EGADMP COC(=O)CCCC[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000600712683 460575291 /nfs/dbraw/zinc/57/52/91/460575291.db2.gz ZYZVTQIENAHJHZ-OALUTQOASA-N 2 1 332.488 3.002 20 0 EGADMP COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])co2)c1 ZINC000631829249 460576626 /nfs/dbraw/zinc/57/66/26/460576626.db2.gz LNQUZDVUXVQMKL-RDTXWAMCSA-N 2 1 329.444 3.300 20 0 EGADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])co2)c1 ZINC000631829249 460576630 /nfs/dbraw/zinc/57/66/30/460576630.db2.gz LNQUZDVUXVQMKL-RDTXWAMCSA-N 2 1 329.444 3.300 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)CC1 ZINC000159282147 455366177 /nfs/dbraw/zinc/36/61/77/455366177.db2.gz OXRIAILXXQAHJB-MRXNPFEDSA-N 2 1 342.487 3.134 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000068007712 453988837 /nfs/dbraw/zinc/98/88/37/453988837.db2.gz MTPPGBOMWRJFNW-GOSISDBHSA-N 2 1 343.515 3.277 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)ccc1C ZINC000076329172 453989429 /nfs/dbraw/zinc/98/94/29/453989429.db2.gz OWMKJGAWIWXHQM-GOSISDBHSA-N 2 1 346.519 3.183 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000089735663 454186890 /nfs/dbraw/zinc/18/68/90/454186890.db2.gz RQFUMIKHBYTHSQ-KRWDZBQOSA-N 2 1 329.419 3.316 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000089735663 454186895 /nfs/dbraw/zinc/18/68/95/454186895.db2.gz RQFUMIKHBYTHSQ-KRWDZBQOSA-N 2 1 329.419 3.316 20 0 EGADMP Cc1nccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000130963898 454227891 /nfs/dbraw/zinc/22/78/91/454227891.db2.gz VYPIZTGGTIRSLF-MRXNPFEDSA-N 2 1 328.460 3.157 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000130963898 454227900 /nfs/dbraw/zinc/22/79/00/454227900.db2.gz VYPIZTGGTIRSLF-MRXNPFEDSA-N 2 1 328.460 3.157 20 0 EGADMP C[N@H+]1CCC[C@H]1CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000131609827 454268542 /nfs/dbraw/zinc/26/85/42/454268542.db2.gz RNGOXNUAMGKURQ-INIZCTEOSA-N 2 1 341.421 3.312 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCCOC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000090083815 454274790 /nfs/dbraw/zinc/27/47/90/454274790.db2.gz ZOKSJDMFGOZFIL-QUCCMNQESA-N 2 1 346.515 3.215 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCCOC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000090083815 454274793 /nfs/dbraw/zinc/27/47/93/454274793.db2.gz ZOKSJDMFGOZFIL-QUCCMNQESA-N 2 1 346.515 3.215 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000090178525 454289417 /nfs/dbraw/zinc/28/94/17/454289417.db2.gz BHPQTPHIOWZFAZ-BHIYHBOVSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000090178525 454289419 /nfs/dbraw/zinc/28/94/19/454289419.db2.gz BHPQTPHIOWZFAZ-BHIYHBOVSA-N 2 1 343.515 3.029 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000090234750 454296090 /nfs/dbraw/zinc/29/60/90/454296090.db2.gz NVCXUXSGAQOASI-HIFRSBDPSA-N 2 1 330.394 3.448 20 0 EGADMP Cc1ncc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)s1 ZINC000090418857 454303014 /nfs/dbraw/zinc/30/30/14/454303014.db2.gz PLMJXUZUTVORMA-LBPRGKRZSA-N 2 1 331.489 3.178 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)o1 ZINC000046991755 454312924 /nfs/dbraw/zinc/31/29/24/454312924.db2.gz JEZPAGHBIBRFRW-KRWDZBQOSA-N 2 1 349.519 3.363 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OCC)[C@H](C)C1 ZINC000132207946 454321552 /nfs/dbraw/zinc/32/15/52/454321552.db2.gz HSDKFWQLVIEQMG-MJGOQNOKSA-N 2 1 334.504 3.312 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OCC)[C@H](C)C1 ZINC000132207946 454321555 /nfs/dbraw/zinc/32/15/55/454321555.db2.gz HSDKFWQLVIEQMG-MJGOQNOKSA-N 2 1 334.504 3.312 20 0 EGADMP CC(C[NH+](C)CCC1CCOCC1)C[N@@H+](C)CCC1CCOCC1 ZINC000120714082 454338471 /nfs/dbraw/zinc/33/84/71/454338471.db2.gz JJABNLUWVAFEHN-UHFFFAOYSA-N 2 1 340.552 3.120 20 0 EGADMP COc1cccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)c1 ZINC000097021371 454389420 /nfs/dbraw/zinc/38/94/20/454389420.db2.gz LGAGECULEWBOGN-SBHAEUEKSA-N 2 1 343.515 3.049 20 0 EGADMP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N2CCCC2)c1 ZINC000097021371 454389426 /nfs/dbraw/zinc/38/94/26/454389426.db2.gz LGAGECULEWBOGN-SBHAEUEKSA-N 2 1 343.515 3.049 20 0 EGADMP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)N2CCCC2)c1 ZINC000097021371 454389430 /nfs/dbraw/zinc/38/94/30/454389430.db2.gz LGAGECULEWBOGN-SBHAEUEKSA-N 2 1 343.515 3.049 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3cccnc3)CC2)cc1 ZINC000133492713 454431785 /nfs/dbraw/zinc/43/17/85/454431785.db2.gz RNLDUTOQBWYPNC-UHFFFAOYSA-N 2 1 327.447 3.060 20 0 EGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)CCCO2 ZINC000121422855 454433234 /nfs/dbraw/zinc/43/32/34/454433234.db2.gz WXHZGPYVNKXVCR-RDTXWAMCSA-N 2 1 329.444 3.340 20 0 EGADMP Cc1cc(C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c(C)n1C1CC1 ZINC000121645429 454461068 /nfs/dbraw/zinc/46/10/68/454461068.db2.gz VDCKJQWVSHGTKM-UHFFFAOYSA-N 2 1 331.504 3.286 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000122368034 454525826 /nfs/dbraw/zinc/52/58/26/454525826.db2.gz NPEZKDBALGIONO-QBPKDAKJSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000122368034 454525831 /nfs/dbraw/zinc/52/58/31/454525831.db2.gz NPEZKDBALGIONO-QBPKDAKJSA-N 2 1 339.524 3.142 20 0 EGADMP CCOc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OC(F)F ZINC000104098842 454573505 /nfs/dbraw/zinc/57/35/05/454573505.db2.gz XJWYGGWAICALMT-OAHLLOKOSA-N 2 1 342.430 3.460 20 0 EGADMP CCOc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OC(F)F ZINC000104098842 454573509 /nfs/dbraw/zinc/57/35/09/454573509.db2.gz XJWYGGWAICALMT-OAHLLOKOSA-N 2 1 342.430 3.460 20 0 EGADMP CCOc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1OC(F)F ZINC000104098842 454573511 /nfs/dbraw/zinc/57/35/11/454573511.db2.gz XJWYGGWAICALMT-OAHLLOKOSA-N 2 1 342.430 3.460 20 0 EGADMP CCOc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1OC(F)F ZINC000104098842 454573514 /nfs/dbraw/zinc/57/35/14/454573514.db2.gz XJWYGGWAICALMT-OAHLLOKOSA-N 2 1 342.430 3.460 20 0 EGADMP CCOc1cccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000092664356 454605461 /nfs/dbraw/zinc/60/54/61/454605461.db2.gz SAGDLPOZSMKRTR-KDURUIRLSA-N 2 1 345.531 3.076 20 0 EGADMP CCOc1cccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000092664356 454605464 /nfs/dbraw/zinc/60/54/64/454605464.db2.gz SAGDLPOZSMKRTR-KDURUIRLSA-N 2 1 345.531 3.076 20 0 EGADMP O=C(CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000134908251 454606911 /nfs/dbraw/zinc/60/69/11/454606911.db2.gz OTJWXZLDHHOGOV-RDTXWAMCSA-N 2 1 347.890 3.227 20 0 EGADMP Cc1ccc(C)c(NC(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134932173 454611544 /nfs/dbraw/zinc/61/15/44/454611544.db2.gz NZFSWATWEJBAIS-XLIONFOSSA-N 2 1 341.499 3.191 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)s1 ZINC000092746322 454623939 /nfs/dbraw/zinc/62/39/39/454623939.db2.gz CSWITFUJXQXBLL-HOCLYGCPSA-N 2 1 339.549 3.411 20 0 EGADMP CCC[C@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000051686404 454635075 /nfs/dbraw/zinc/63/50/75/454635075.db2.gz SGMNFOFQGIFBHV-SFHVURJKSA-N 2 1 345.531 3.196 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000065932390 454641445 /nfs/dbraw/zinc/64/14/45/454641445.db2.gz WNBMLACXHJUQSL-UHFFFAOYSA-N 2 1 327.350 3.313 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NCc2ccccc2C)CC1 ZINC000052209074 454661058 /nfs/dbraw/zinc/66/10/58/454661058.db2.gz BUIAIGJYEIWHQC-UHFFFAOYSA-N 2 1 345.531 3.055 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NCC2CCCCC2)CC1 ZINC000052209001 454661464 /nfs/dbraw/zinc/66/14/64/454661464.db2.gz WGGASULCRWIMNJ-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1F ZINC000124460558 454736462 /nfs/dbraw/zinc/73/64/62/454736462.db2.gz JFULBTONJIFPEF-IBGZPJMESA-N 2 1 339.474 3.279 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000093844521 454738918 /nfs/dbraw/zinc/73/89/18/454738918.db2.gz DJJMCXAYFYJECB-KRWDZBQOSA-N 2 1 341.503 3.206 20 0 EGADMP CC(C)Oc1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000124486697 454739133 /nfs/dbraw/zinc/73/91/33/454739133.db2.gz KMFCUZBSTBHIDW-SFHVURJKSA-N 2 1 347.547 3.398 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161973572 454741972 /nfs/dbraw/zinc/74/19/72/454741972.db2.gz UTPZUAAACOTXMZ-IAGOWNOFSA-N 2 1 339.524 3.240 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161973572 454741975 /nfs/dbraw/zinc/74/19/75/454741975.db2.gz UTPZUAAACOTXMZ-IAGOWNOFSA-N 2 1 339.524 3.240 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[NH+]3CCC([NH2+]C(C)C)CC3)cc2)n1 ZINC000108370733 454794915 /nfs/dbraw/zinc/79/49/15/454794915.db2.gz RGMZTLKDDMUOGS-UHFFFAOYSA-N 2 1 326.488 3.452 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000139939219 454814165 /nfs/dbraw/zinc/81/41/65/454814165.db2.gz INRJYRZTVGNXNS-WBVHZDCISA-N 2 1 347.528 3.153 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139939219 454814169 /nfs/dbraw/zinc/81/41/69/454814169.db2.gz INRJYRZTVGNXNS-WBVHZDCISA-N 2 1 347.528 3.153 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139939219 454814173 /nfs/dbraw/zinc/81/41/73/454814173.db2.gz INRJYRZTVGNXNS-WBVHZDCISA-N 2 1 347.528 3.153 20 0 EGADMP CCC[C@@H](CC)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000125508464 454828205 /nfs/dbraw/zinc/82/82/05/454828205.db2.gz QHSBRJHHBPVBGT-RBUKOAKNSA-N 2 1 331.504 3.052 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163932777 454869649 /nfs/dbraw/zinc/86/96/49/454869649.db2.gz ARUFQGYLPKFYLC-OPYAIIAOSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163932777 454869654 /nfs/dbraw/zinc/86/96/54/454869654.db2.gz ARUFQGYLPKFYLC-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163932777 454869657 /nfs/dbraw/zinc/86/96/57/454869657.db2.gz ARUFQGYLPKFYLC-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163932777 454869661 /nfs/dbraw/zinc/86/96/61/454869661.db2.gz ARUFQGYLPKFYLC-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H](C[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)C[NH+]1CCCC1 ZINC000165324208 454897744 /nfs/dbraw/zinc/89/77/44/454897744.db2.gz HKDULYZXIDISGV-ROUUACIJSA-N 2 1 326.488 3.314 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000165367419 454900188 /nfs/dbraw/zinc/90/01/88/454900188.db2.gz PTIFBHUMJVOSKT-GQIGUUNPSA-N 2 1 333.495 3.108 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)C[NH2+]CC1CC1)C1CCCCC1 ZINC000165883721 454905579 /nfs/dbraw/zinc/90/55/79/454905579.db2.gz RBYRJYOZSAGYAH-UHFFFAOYSA-N 2 1 343.515 3.067 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccs1 ZINC000126668015 454910616 /nfs/dbraw/zinc/91/06/16/454910616.db2.gz SEAXVEPANLMVEB-INIZCTEOSA-N 2 1 329.513 3.346 20 0 EGADMP Cc1nc2c(s1)[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000178039323 454929545 /nfs/dbraw/zinc/92/95/45/454929545.db2.gz PJTZPYIOPKMERH-IJEWVQPXSA-N 2 1 337.533 3.308 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000151101583 454937218 /nfs/dbraw/zinc/93/72/18/454937218.db2.gz RAVWHMPNAXHMPI-HOTGVXAUSA-N 2 1 344.503 3.353 20 0 EGADMP COc1cccc(C[N@@H+](CCCn2ccnc2C)C[C@@H]2CCCO2)c1 ZINC000127317101 454953969 /nfs/dbraw/zinc/95/39/69/454953969.db2.gz RIDVWWCURSMCON-FQEVSTJZSA-N 2 1 343.471 3.271 20 0 EGADMP COc1cccc(C[N@@H+](CCCn2cc[nH+]c2C)C[C@@H]2CCCO2)c1 ZINC000127317101 454953975 /nfs/dbraw/zinc/95/39/75/454953975.db2.gz RIDVWWCURSMCON-FQEVSTJZSA-N 2 1 343.471 3.271 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000127395778 454960384 /nfs/dbraw/zinc/96/03/84/454960384.db2.gz LXYHZALRHFDYAJ-FQEVSTJZSA-N 2 1 327.472 3.305 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000127395778 454960386 /nfs/dbraw/zinc/96/03/86/454960386.db2.gz LXYHZALRHFDYAJ-FQEVSTJZSA-N 2 1 327.472 3.305 20 0 EGADMP Cc1cccc(C)c1OCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000155168448 454970601 /nfs/dbraw/zinc/97/06/01/454970601.db2.gz CTHHJSRZYGTQPJ-UHFFFAOYSA-N 2 1 327.472 3.370 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCc2cc(Br)ccc2F)CC[N@H+]1C ZINC000155365798 454992196 /nfs/dbraw/zinc/99/21/96/454992196.db2.gz UMSUKFMDHRRBLV-SMDDNHRTSA-N 2 1 329.257 3.203 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000155672604 455029273 /nfs/dbraw/zinc/02/92/73/455029273.db2.gz DYWCTRWXENSVRH-UHFFFAOYSA-N 2 1 331.504 3.133 20 0 EGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)cc1Cl ZINC000128303700 455044413 /nfs/dbraw/zinc/04/44/13/455044413.db2.gz MDYQJRFHBFWXGM-CQSZACIVSA-N 2 1 327.875 3.157 20 0 EGADMP CC(C)[C@H](CCc1ccccc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128554059 455067475 /nfs/dbraw/zinc/06/74/75/455067475.db2.gz DTIPXMIQAHAIHZ-NRFANRHFSA-N 2 1 331.548 3.261 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1Br ZINC000623654555 460661143 /nfs/dbraw/zinc/66/11/43/460661143.db2.gz CJNILSIFEMLDPM-CQSZACIVSA-N 2 1 341.293 3.279 20 0 EGADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000156170244 455089426 /nfs/dbraw/zinc/08/94/26/455089426.db2.gz UZGVGHBYRPVBEI-GIVPXCGWSA-N 2 1 347.547 3.016 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)N(C)C)[C@H](C)C1 ZINC000156170244 455089429 /nfs/dbraw/zinc/08/94/29/455089429.db2.gz UZGVGHBYRPVBEI-GIVPXCGWSA-N 2 1 347.547 3.016 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)N(C)C)[C@H](C)C1 ZINC000156170244 455089433 /nfs/dbraw/zinc/08/94/33/455089433.db2.gz UZGVGHBYRPVBEI-GIVPXCGWSA-N 2 1 347.547 3.016 20 0 EGADMP CCC[C@@H](C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1)c1ccccc1 ZINC000180069594 455126884 /nfs/dbraw/zinc/12/68/84/455126884.db2.gz HAMLVPAWUCXOHU-SFTDATJTSA-N 2 1 329.532 3.282 20 0 EGADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000157005464 455161145 /nfs/dbraw/zinc/16/11/45/455161145.db2.gz DUNVTUYXTGCENA-WIYYLYMNSA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000157005464 455161146 /nfs/dbraw/zinc/16/11/46/455161146.db2.gz DUNVTUYXTGCENA-WIYYLYMNSA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccccc2CN[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000157005464 455161147 /nfs/dbraw/zinc/16/11/47/455161147.db2.gz DUNVTUYXTGCENA-WIYYLYMNSA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccccc2CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000157005464 455161148 /nfs/dbraw/zinc/16/11/48/455161148.db2.gz DUNVTUYXTGCENA-WIYYLYMNSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000237351159 455175897 /nfs/dbraw/zinc/17/58/97/455175897.db2.gz JKBHMIIAQBUBCI-CRAIPNDOSA-N 2 1 347.528 3.095 20 0 EGADMP CCOC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(C)C ZINC000189360050 455184955 /nfs/dbraw/zinc/18/49/55/455184955.db2.gz FFKGDPVPSXBZJB-FQEVSTJZSA-N 2 1 336.495 3.483 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237496714 455189054 /nfs/dbraw/zinc/18/90/54/455189054.db2.gz QSYBZGNBCZVABW-PKOBYXMFSA-N 2 1 331.504 3.237 20 0 EGADMP Cc1cnc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000180534854 455191761 /nfs/dbraw/zinc/19/17/61/455191761.db2.gz QDVCXBHJWPLGKS-HUUCEWRRSA-N 2 1 337.533 3.163 20 0 EGADMP C[C@@H](CCNC(=O)C[C@H]([NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000237560237 455194839 /nfs/dbraw/zinc/19/48/39/455194839.db2.gz WICURCQDJAYDAO-PXNSSMCTSA-N 2 1 339.483 3.103 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000237598610 455197717 /nfs/dbraw/zinc/19/77/17/455197717.db2.gz SZJFVNVPMQFVSW-CYBMUJFWSA-N 2 1 327.457 3.136 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237668024 455205706 /nfs/dbraw/zinc/20/57/06/455205706.db2.gz HCIBYKHVSNICEM-XLIONFOSSA-N 2 1 343.515 3.190 20 0 EGADMP CC(C)OC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000173491345 455293212 /nfs/dbraw/zinc/29/32/12/455293212.db2.gz BJTZPZODNVSTCT-IEBWSBKVSA-N 2 1 332.488 3.313 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CCOCC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000189521839 455213306 /nfs/dbraw/zinc/21/33/06/455213306.db2.gz GRCXTIKPVMMEMN-WBVHZDCISA-N 2 1 326.431 3.253 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CCOCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000189521839 455213307 /nfs/dbraw/zinc/21/33/07/455213307.db2.gz GRCXTIKPVMMEMN-WBVHZDCISA-N 2 1 326.431 3.253 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)CCOCC(F)F)CC[NH+]1Cc1ccccc1 ZINC000189521839 455213308 /nfs/dbraw/zinc/21/33/08/455213308.db2.gz GRCXTIKPVMMEMN-WBVHZDCISA-N 2 1 326.431 3.253 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOCC(F)F)CC[NH+]1Cc1ccccc1 ZINC000189521839 455213310 /nfs/dbraw/zinc/21/33/10/455213310.db2.gz GRCXTIKPVMMEMN-WBVHZDCISA-N 2 1 326.431 3.253 20 0 EGADMP CC(C)OC(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000173491345 455293208 /nfs/dbraw/zinc/29/32/08/455293208.db2.gz BJTZPZODNVSTCT-IEBWSBKVSA-N 2 1 332.488 3.313 20 0 EGADMP CC(C)OC(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000173491345 455293213 /nfs/dbraw/zinc/29/32/13/455293213.db2.gz BJTZPZODNVSTCT-IEBWSBKVSA-N 2 1 332.488 3.313 20 0 EGADMP CC(C)OC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000173491345 455293217 /nfs/dbraw/zinc/29/32/17/455293217.db2.gz BJTZPZODNVSTCT-IEBWSBKVSA-N 2 1 332.488 3.313 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000184316586 455370293 /nfs/dbraw/zinc/37/02/93/455370293.db2.gz YAAIMDKKGYUNPH-JKSUJKDBSA-N 2 1 339.524 3.096 20 0 EGADMP FC(F)(F)c1cccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000246183679 455443781 /nfs/dbraw/zinc/44/37/81/455443781.db2.gz DECWWMSTUYZVEK-GJZGRUSLSA-N 2 1 328.378 3.301 20 0 EGADMP CC[C@]1(C)C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000191148420 455452918 /nfs/dbraw/zinc/45/29/18/455452918.db2.gz YOAYFOAPSFZETI-OAQYLSRUSA-N 2 1 345.531 3.218 20 0 EGADMP CCc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)o1 ZINC000182273746 455477363 /nfs/dbraw/zinc/47/73/63/455477363.db2.gz MKDAACQYRXKHIZ-YJBOKZPZSA-N 2 1 328.456 3.259 20 0 EGADMP CCc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)o1 ZINC000182273746 455477369 /nfs/dbraw/zinc/47/73/69/455477369.db2.gz MKDAACQYRXKHIZ-YJBOKZPZSA-N 2 1 328.456 3.259 20 0 EGADMP Cc1cnn(CCCCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246441223 455491661 /nfs/dbraw/zinc/49/16/61/455491661.db2.gz DEOIMMUIDVPBPD-AZUAARDMSA-N 2 1 330.520 3.311 20 0 EGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000191824981 455523042 /nfs/dbraw/zinc/52/30/42/455523042.db2.gz PHYSQMUWNOGLKB-GFCCVEGCSA-N 2 1 334.430 3.445 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)[C@H](C)C1 ZINC000185226125 455525058 /nfs/dbraw/zinc/52/50/58/455525058.db2.gz GXFLKJPKLKMPNH-HCXYKTFWSA-N 2 1 340.552 3.305 20 0 EGADMP COCCC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246861870 455531763 /nfs/dbraw/zinc/53/17/63/455531763.db2.gz CCHWCABTVGBOFU-KURKYZTESA-N 2 1 334.504 3.201 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000246954078 455538611 /nfs/dbraw/zinc/53/86/11/455538611.db2.gz INMHAHNOFVLWGT-VURPSTOHSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000246954078 455538612 /nfs/dbraw/zinc/53/86/12/455538612.db2.gz INMHAHNOFVLWGT-VURPSTOHSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000246954078 455538615 /nfs/dbraw/zinc/53/86/15/455538615.db2.gz INMHAHNOFVLWGT-VURPSTOHSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000246954078 455538617 /nfs/dbraw/zinc/53/86/17/455538617.db2.gz INMHAHNOFVLWGT-VURPSTOHSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000246954078 455538620 /nfs/dbraw/zinc/53/86/20/455538620.db2.gz INMHAHNOFVLWGT-VURPSTOHSA-N 2 1 329.532 3.359 20 0 EGADMP Fc1cc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000192036546 455546363 /nfs/dbraw/zinc/54/63/63/455546363.db2.gz RAYMYJGJRKEJLZ-CQSZACIVSA-N 2 1 326.843 3.276 20 0 EGADMP Fc1cc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000192036546 455546366 /nfs/dbraw/zinc/54/63/66/455546366.db2.gz RAYMYJGJRKEJLZ-CQSZACIVSA-N 2 1 326.843 3.276 20 0 EGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000247049626 455550861 /nfs/dbraw/zinc/55/08/61/455550861.db2.gz NESDPRRNCBNTMT-FRQCXROJSA-N 2 1 331.504 3.490 20 0 EGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000247049626 455550864 /nfs/dbraw/zinc/55/08/64/455550864.db2.gz NESDPRRNCBNTMT-FRQCXROJSA-N 2 1 331.504 3.490 20 0 EGADMP c1c[nH]c([C@@H]2CCC[NH+]2CCOCC[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000267476376 455552131 /nfs/dbraw/zinc/55/21/31/455552131.db2.gz ZHAWNQKVWPWZJK-PMACEKPBSA-N 2 1 342.487 3.333 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)[C@@H](C)C1 ZINC000247081863 455556850 /nfs/dbraw/zinc/55/68/50/455556850.db2.gz QXUSBGBOZMGWKV-YJBOKZPZSA-N 2 1 341.455 3.352 20 0 EGADMP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000192101241 455557457 /nfs/dbraw/zinc/55/74/57/455557457.db2.gz SWTRSGKOWROQPV-HOTGVXAUSA-N 2 1 331.504 3.051 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000247164707 455568004 /nfs/dbraw/zinc/56/80/04/455568004.db2.gz XZLFZFIRXVMOFG-BBRMVZONSA-N 2 1 337.895 3.297 20 0 EGADMP C[C@H]1C[C@H]([NH+](C)CCC2OCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000267961543 455570347 /nfs/dbraw/zinc/57/03/47/455570347.db2.gz SVYWHAYLTFPPSY-PKOBYXMFSA-N 2 1 332.488 3.124 20 0 EGADMP C[C@H]1C[C@H]([NH+](C)CCC2OCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000267961543 455570350 /nfs/dbraw/zinc/57/03/50/455570350.db2.gz SVYWHAYLTFPPSY-PKOBYXMFSA-N 2 1 332.488 3.124 20 0 EGADMP C[C@H]1C[C@H]([N@H+](C)CCC2OCCCO2)CC[NH+]1Cc1ccccc1 ZINC000267961543 455570354 /nfs/dbraw/zinc/57/03/54/455570354.db2.gz SVYWHAYLTFPPSY-PKOBYXMFSA-N 2 1 332.488 3.124 20 0 EGADMP C[C@H]1C[C@H]([N@@H+](C)CCC2OCCCO2)CC[NH+]1Cc1ccccc1 ZINC000267961543 455570357 /nfs/dbraw/zinc/57/03/57/455570357.db2.gz SVYWHAYLTFPPSY-PKOBYXMFSA-N 2 1 332.488 3.124 20 0 EGADMP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000268085166 455590270 /nfs/dbraw/zinc/59/02/70/455590270.db2.gz HLDYCHCNHZFUNZ-HNNXBMFYSA-N 2 1 345.512 3.060 20 0 EGADMP Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc2c[nH+]cn2c1 ZINC000283797415 455595216 /nfs/dbraw/zinc/59/52/16/455595216.db2.gz GNFNEZQFGWSELS-AZUAARDMSA-N 2 1 346.434 3.091 20 0 EGADMP C[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000192590587 455646924 /nfs/dbraw/zinc/64/69/24/455646924.db2.gz BKYBTCWXELHTKX-OXQOHEQNSA-N 2 1 328.456 3.426 20 0 EGADMP C[C@@H]1C[C@H](N(C)CC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000248039658 455672808 /nfs/dbraw/zinc/67/28/08/455672808.db2.gz LWPYVRYFFLFCGS-HMXCVIKNSA-N 3 1 329.532 3.456 20 0 EGADMP C[C@@H]1C[C@H](N(C)CC[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000248039658 455672814 /nfs/dbraw/zinc/67/28/14/455672814.db2.gz LWPYVRYFFLFCGS-HMXCVIKNSA-N 3 1 329.532 3.456 20 0 EGADMP C[C@@H]1C[C@H](N(C)CC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000248039658 455672822 /nfs/dbraw/zinc/67/28/22/455672822.db2.gz LWPYVRYFFLFCGS-HMXCVIKNSA-N 3 1 329.532 3.456 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cnc2ccsc2c1 ZINC000271546471 455679520 /nfs/dbraw/zinc/67/95/20/455679520.db2.gz UHXRPYZPEWRNES-KKXDTOCCSA-N 2 1 345.512 3.325 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CC2(c3ccccc3)CC2)CC1 ZINC000192838512 455703305 /nfs/dbraw/zinc/70/33/05/455703305.db2.gz UNEAMJBBPZJCMR-UHFFFAOYSA-N 2 1 329.532 3.066 20 0 EGADMP C[C@@H]1C[C@@H](NC2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268775876 455712796 /nfs/dbraw/zinc/71/27/96/455712796.db2.gz VTUWREHBNUHQLY-XLIONFOSSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+]3CCCC[C@@H]23)CC[N@H+]1Cc1ccccc1 ZINC000268804448 455714307 /nfs/dbraw/zinc/71/43/07/455714307.db2.gz ZZBCNWCXTMTDER-PBASOCQRSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC[NH+]1Cc1ccccc1 ZINC000268804448 455714314 /nfs/dbraw/zinc/71/43/14/455714314.db2.gz ZZBCNWCXTMTDER-PBASOCQRSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC[NH+]1Cc1ccccc1 ZINC000268804448 455714320 /nfs/dbraw/zinc/71/43/20/455714320.db2.gz ZZBCNWCXTMTDER-PBASOCQRSA-N 2 1 327.516 3.256 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000271725260 455736243 /nfs/dbraw/zinc/73/62/43/455736243.db2.gz RBXUQAMIFQRIJS-OAHLLOKOSA-N 2 1 331.287 3.491 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000271767392 455752299 /nfs/dbraw/zinc/75/22/99/455752299.db2.gz FGCOFACCIHXHEZ-WBVHZDCISA-N 2 1 331.460 3.168 20 0 EGADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc(OC)c1OC ZINC000269047067 455774689 /nfs/dbraw/zinc/77/46/89/455774689.db2.gz VBIKSWSRRUMSRO-AWEZNQCLSA-N 2 1 348.487 3.380 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@H]2O)cc1 ZINC000269070255 455781992 /nfs/dbraw/zinc/78/19/92/455781992.db2.gz MPZIESRRICTKLA-LVXYXVKQSA-N 2 1 333.435 3.490 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1)C(C)C ZINC000269226709 455816497 /nfs/dbraw/zinc/81/64/97/455816497.db2.gz UYLACEFOOVZOMK-VQIMIIECSA-N 2 1 331.504 3.035 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000252528033 455820201 /nfs/dbraw/zinc/82/02/01/455820201.db2.gz DYRJVBKATGPLBN-ZHALLVOQSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000252528033 455820205 /nfs/dbraw/zinc/82/02/05/455820205.db2.gz DYRJVBKATGPLBN-ZHALLVOQSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000252528033 455820210 /nfs/dbraw/zinc/82/02/10/455820210.db2.gz DYRJVBKATGPLBN-ZHALLVOQSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285430877 455843651 /nfs/dbraw/zinc/84/36/51/455843651.db2.gz FFITXQMVJQCZCI-OAQYLSRUSA-N 2 1 338.499 3.135 20 0 EGADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285430877 455843654 /nfs/dbraw/zinc/84/36/54/455843654.db2.gz FFITXQMVJQCZCI-OAQYLSRUSA-N 2 1 338.499 3.135 20 0 EGADMP Cc1nn(C)c(C)c1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285430877 455843657 /nfs/dbraw/zinc/84/36/57/455843657.db2.gz FFITXQMVJQCZCI-OAQYLSRUSA-N 2 1 338.499 3.135 20 0 EGADMP Cc1nn(C)c(C)c1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285430877 455843659 /nfs/dbraw/zinc/84/36/59/455843659.db2.gz FFITXQMVJQCZCI-OAQYLSRUSA-N 2 1 338.499 3.135 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC000285480946 455854626 /nfs/dbraw/zinc/85/46/26/455854626.db2.gz LPBNPIVEGWOLFZ-SFHVURJKSA-N 2 1 334.504 3.115 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC000285480940 455855075 /nfs/dbraw/zinc/85/50/75/455855075.db2.gz LPBNPIVEGWOLFZ-GOSISDBHSA-N 2 1 334.504 3.115 20 0 EGADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000272177196 455867137 /nfs/dbraw/zinc/86/71/37/455867137.db2.gz JLRNKUMZNULMCT-VQIMIIECSA-N 2 1 340.467 3.401 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000280064844 455882754 /nfs/dbraw/zinc/88/27/54/455882754.db2.gz XEKBDRVPBANYJD-CABCVRRESA-N 2 1 331.460 3.381 20 0 EGADMP Cc1cc(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000272251443 455892961 /nfs/dbraw/zinc/89/29/61/455892961.db2.gz CCDHTKWMZBOXRB-SJLPKXTDSA-N 2 1 338.455 3.422 20 0 EGADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272279958 455900585 /nfs/dbraw/zinc/90/05/85/455900585.db2.gz CWEYKJRBNRDVHR-MJUUVYJYSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H](N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272279958 455900591 /nfs/dbraw/zinc/90/05/91/455900591.db2.gz CWEYKJRBNRDVHR-MJUUVYJYSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H](N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272279958 455900598 /nfs/dbraw/zinc/90/05/98/455900598.db2.gz CWEYKJRBNRDVHR-MJUUVYJYSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272279958 455900604 /nfs/dbraw/zinc/90/06/04/455900604.db2.gz CWEYKJRBNRDVHR-MJUUVYJYSA-N 3 1 327.516 3.113 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272279958 455900609 /nfs/dbraw/zinc/90/06/09/455900609.db2.gz CWEYKJRBNRDVHR-MJUUVYJYSA-N 3 1 327.516 3.113 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272279958 455900615 /nfs/dbraw/zinc/90/06/15/455900615.db2.gz CWEYKJRBNRDVHR-MJUUVYJYSA-N 3 1 327.516 3.113 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272279958 455900619 /nfs/dbraw/zinc/90/06/19/455900619.db2.gz CWEYKJRBNRDVHR-MJUUVYJYSA-N 3 1 327.516 3.113 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1OC(F)F ZINC000261600212 455910347 /nfs/dbraw/zinc/91/03/47/455910347.db2.gz AZXGMHXUSDCFTN-SOUVJXGZSA-N 2 1 340.414 3.246 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000285769243 455912503 /nfs/dbraw/zinc/91/25/03/455912503.db2.gz SRODUHMTVLQJQY-CVEARBPZSA-N 2 1 345.487 3.180 20 0 EGADMP CCN(CC)c1ncc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)s1 ZINC000261613798 455914002 /nfs/dbraw/zinc/91/40/02/455914002.db2.gz CLSSBYWEYHPJOZ-AEFFLSMTSA-N 2 1 344.528 3.164 20 0 EGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000270358602 455936505 /nfs/dbraw/zinc/93/65/05/455936505.db2.gz FYWVFKGZGZOJKT-IBGZPJMESA-N 2 1 329.488 3.402 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)c2)CCO1 ZINC000296434665 455937528 /nfs/dbraw/zinc/93/75/28/455937528.db2.gz NJAUTHACZVLAMW-FXAWDEMLSA-N 2 1 344.499 3.099 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)c2)CCO1 ZINC000296434665 455937531 /nfs/dbraw/zinc/93/75/31/455937531.db2.gz NJAUTHACZVLAMW-FXAWDEMLSA-N 2 1 344.499 3.099 20 0 EGADMP Cc1ccnc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000285980960 455953498 /nfs/dbraw/zinc/95/34/98/455953498.db2.gz HRDASBLLJMLHDH-MSOLQXFVSA-N 2 1 339.483 3.462 20 0 EGADMP Cc1ccnc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000285980960 455953503 /nfs/dbraw/zinc/95/35/03/455953503.db2.gz HRDASBLLJMLHDH-MSOLQXFVSA-N 2 1 339.483 3.462 20 0 EGADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)[C@@H]1C[NH3+] ZINC000261844313 455958061 /nfs/dbraw/zinc/95/80/61/455958061.db2.gz CWSOEKTZYDVCEN-XHDPSFHLSA-N 2 1 344.286 3.381 20 0 EGADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)[C@@H]1C[NH3+] ZINC000261844313 455958064 /nfs/dbraw/zinc/95/80/64/455958064.db2.gz CWSOEKTZYDVCEN-XHDPSFHLSA-N 2 1 344.286 3.381 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000261882454 455964985 /nfs/dbraw/zinc/96/49/85/455964985.db2.gz ZHUATWRCSHDFSZ-FFZOFVMBSA-N 2 1 343.515 3.195 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000261942004 455974029 /nfs/dbraw/zinc/97/40/29/455974029.db2.gz NQFFHCQCSUMTTI-VQIMIIECSA-N 2 1 341.499 3.389 20 0 EGADMP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000261976955 455980377 /nfs/dbraw/zinc/98/03/77/455980377.db2.gz GJTFMDDNGMRKPE-LBPRGKRZSA-N 2 1 341.858 3.128 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c(OC(C)C)c1 ZINC000262013230 455984579 /nfs/dbraw/zinc/98/45/79/455984579.db2.gz VTRARSPSVVWQFV-QRVBRYPASA-N 2 1 332.488 3.029 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262014926 455985753 /nfs/dbraw/zinc/98/57/53/455985753.db2.gz MPLMQPIBIKOTHQ-IBGZPJMESA-N 2 1 344.890 3.328 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262014926 455985759 /nfs/dbraw/zinc/98/57/59/455985759.db2.gz MPLMQPIBIKOTHQ-IBGZPJMESA-N 2 1 344.890 3.328 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000262017693 455986672 /nfs/dbraw/zinc/98/66/72/455986672.db2.gz XDLUMIRXJLHQMR-LBPRGKRZSA-N 2 1 344.286 3.383 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262076710 455993793 /nfs/dbraw/zinc/99/37/93/455993793.db2.gz SOJJVYKYSBXNLF-OAQYLSRUSA-N 2 1 338.499 3.042 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262076710 455993796 /nfs/dbraw/zinc/99/37/96/455993796.db2.gz SOJJVYKYSBXNLF-OAQYLSRUSA-N 2 1 338.499 3.042 20 0 EGADMP Fc1ccc(-c2ccc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)s2)cc1 ZINC000262142008 456003176 /nfs/dbraw/zinc/00/31/76/456003176.db2.gz PXCDGBBFCMZJOV-QGZVFWFLSA-N 2 1 345.487 3.034 20 0 EGADMP COCc1cccc(OCC2(C[NH2+][C@@](C)(C[NH3+])C3CC3)CCC2)c1 ZINC000262135473 456003548 /nfs/dbraw/zinc/00/35/48/456003548.db2.gz OPPIFGCOHFTLNS-IBGZPJMESA-N 2 1 332.488 3.099 20 0 EGADMP CC1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)COC1 ZINC000286263277 456011343 /nfs/dbraw/zinc/01/13/43/456011343.db2.gz VBNLVHWNIJGSBZ-HSALFYBXSA-N 2 1 328.500 3.303 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000270682005 456014269 /nfs/dbraw/zinc/01/42/69/456014269.db2.gz UVOFEFIZKCMIOP-RTBURBONSA-N 2 1 331.435 3.309 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000270682005 456014273 /nfs/dbraw/zinc/01/42/73/456014273.db2.gz UVOFEFIZKCMIOP-RTBURBONSA-N 2 1 331.435 3.309 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262261773 456018377 /nfs/dbraw/zinc/01/83/77/456018377.db2.gz JMIWCDZNHCEOSY-UPMGZUDPSA-N 2 1 349.563 3.157 20 0 EGADMP CC[C@H](C)N1CCN(C(=O)c2cccc(Oc3ccncc3)c2)CC1 ZINC000296852852 456053404 /nfs/dbraw/zinc/05/34/04/456053404.db2.gz HQENPQCSBQZZCV-INIZCTEOSA-N 2 1 339.439 3.430 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000280996603 456104152 /nfs/dbraw/zinc/10/41/52/456104152.db2.gz NHYYLHOAFJZUCY-CKEIUWERSA-N 2 1 344.421 3.489 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000281008262 456109019 /nfs/dbraw/zinc/10/90/19/456109019.db2.gz WMDLDUDOECCQNM-MRXNPFEDSA-N 2 1 330.451 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000281008262 456109028 /nfs/dbraw/zinc/10/90/28/456109028.db2.gz WMDLDUDOECCQNM-MRXNPFEDSA-N 2 1 330.451 3.221 20 0 EGADMP CCOc1ccc(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000271058591 456115280 /nfs/dbraw/zinc/11/52/80/456115280.db2.gz RYJINSUXNVIEAC-UHFFFAOYSA-N 2 1 347.503 3.078 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000263261027 456117607 /nfs/dbraw/zinc/11/76/07/456117607.db2.gz MJOFRGSCLJEZHD-XIBWBMNSSA-N 2 1 347.547 3.020 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000271208143 456172688 /nfs/dbraw/zinc/17/26/88/456172688.db2.gz GVXSRDQZHDUMAD-GOSISDBHSA-N 2 1 339.487 3.135 20 0 EGADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000289967404 456199353 /nfs/dbraw/zinc/19/93/53/456199353.db2.gz NDQPYDKGBANKHD-QZTJIDSGSA-N 2 1 340.471 3.381 20 0 EGADMP C[C@H]1C[C@@H](Nc2nc(N(C)C)cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000301778885 456212784 /nfs/dbraw/zinc/21/27/84/456212784.db2.gz RUGKRFFLIALQLA-RDJZCZTQSA-N 2 1 325.460 3.008 20 0 EGADMP C[C@H]1C[C@@H](Nc2nc(N(C)C)cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000301778885 456212787 /nfs/dbraw/zinc/21/27/87/456212787.db2.gz RUGKRFFLIALQLA-RDJZCZTQSA-N 2 1 325.460 3.008 20 0 EGADMP Nc1nc(NCCC[N@H+]2CCc3ccccc3C2)nc2ccccc12 ZINC000301900241 456245954 /nfs/dbraw/zinc/24/59/54/456245954.db2.gz YXYOHQCOKSXRBS-UHFFFAOYSA-N 2 1 333.439 3.072 20 0 EGADMP C[C@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000290157351 456255742 /nfs/dbraw/zinc/25/57/42/456255742.db2.gz LQZVSMDPXSQLAW-PKOBYXMFSA-N 2 1 326.488 3.373 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000290157351 456255746 /nfs/dbraw/zinc/25/57/46/456255746.db2.gz LQZVSMDPXSQLAW-PKOBYXMFSA-N 2 1 326.488 3.373 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000290157351 456255752 /nfs/dbraw/zinc/25/57/52/456255752.db2.gz LQZVSMDPXSQLAW-PKOBYXMFSA-N 2 1 326.488 3.373 20 0 EGADMP CCC(CC)(CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@@H](C)c1ccccc1 ZINC000297652841 456271243 /nfs/dbraw/zinc/27/12/43/456271243.db2.gz UKOAUSCMXUOVBM-INIZCTEOSA-N 2 1 342.487 3.217 20 0 EGADMP CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1nnc2ccccn21 ZINC000347660746 456288155 /nfs/dbraw/zinc/28/81/55/456288155.db2.gz YBLHEUJGPFUYNG-MRXNPFEDSA-N 2 1 326.448 3.145 20 0 EGADMP COc1ccc(CC[C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352774550 456295273 /nfs/dbraw/zinc/29/52/73/456295273.db2.gz YBAFPCFDOPRVIJ-CQSZACIVSA-N 2 1 333.501 3.324 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CCn2cncn2)c2ccc(C)cc2)C1 ZINC000275814199 456321706 /nfs/dbraw/zinc/32/17/06/456321706.db2.gz FQOGYKSILQMGAR-AZUAARDMSA-N 2 1 341.503 3.039 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC2([NH+](C)C)CCC2)cc1)C(C)C ZINC000275819802 456323904 /nfs/dbraw/zinc/32/39/04/456323904.db2.gz FCGWNARWMOHKCO-UHFFFAOYSA-N 2 1 331.504 3.131 20 0 EGADMP CCc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cn1 ZINC000352808639 456326278 /nfs/dbraw/zinc/32/62/78/456326278.db2.gz ASBXFWHEOPSXPG-KRWDZBQOSA-N 2 1 339.483 3.155 20 0 EGADMP CCc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cn1 ZINC000352808639 456326286 /nfs/dbraw/zinc/32/62/86/456326286.db2.gz ASBXFWHEOPSXPG-KRWDZBQOSA-N 2 1 339.483 3.155 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000290438392 456328578 /nfs/dbraw/zinc/32/85/78/456328578.db2.gz LSCQDTNOUXWGJW-UHFFFAOYSA-N 2 1 335.835 3.138 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000290438392 456328583 /nfs/dbraw/zinc/32/85/83/456328583.db2.gz LSCQDTNOUXWGJW-UHFFFAOYSA-N 2 1 335.835 3.138 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000290440845 456329038 /nfs/dbraw/zinc/32/90/38/456329038.db2.gz LVFKNWDYKGFRCI-SJLPKXTDSA-N 2 1 330.472 3.248 20 0 EGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000290440845 456329039 /nfs/dbraw/zinc/32/90/39/456329039.db2.gz LVFKNWDYKGFRCI-SJLPKXTDSA-N 2 1 330.472 3.248 20 0 EGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000290440845 456329041 /nfs/dbraw/zinc/32/90/41/456329041.db2.gz LVFKNWDYKGFRCI-SJLPKXTDSA-N 2 1 330.472 3.248 20 0 EGADMP CC[C@@H](Nc1cc[nH+]c(C)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000302367476 456337540 /nfs/dbraw/zinc/33/75/40/456337540.db2.gz BFFJANBJPANWCQ-WOJBJXKFSA-N 2 1 325.456 3.482 20 0 EGADMP CC[C@@H](Nc1cc[nH+]c(C)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000302367476 456337552 /nfs/dbraw/zinc/33/75/52/456337552.db2.gz BFFJANBJPANWCQ-WOJBJXKFSA-N 2 1 325.456 3.482 20 0 EGADMP COC(=O)c1occc1CNCc1ccccc1C[N@@H+](C)C(C)C ZINC000347742739 456343338 /nfs/dbraw/zinc/34/33/38/456343338.db2.gz OKWPMRQZSSZIOJ-UHFFFAOYSA-N 2 1 330.428 3.196 20 0 EGADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c3ccccc3)C1)CCC2 ZINC000340258015 456347246 /nfs/dbraw/zinc/34/72/46/456347246.db2.gz ZDGJMWNKHOELPW-ZCNNSNEGSA-N 2 1 338.499 3.494 20 0 EGADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](c3ccccc3)C1)CCC2 ZINC000340258015 456347249 /nfs/dbraw/zinc/34/72/49/456347249.db2.gz ZDGJMWNKHOELPW-ZCNNSNEGSA-N 2 1 338.499 3.494 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2c[nH]c3nccnc23)C1 ZINC000290505726 456347939 /nfs/dbraw/zinc/34/79/39/456347939.db2.gz SSPANVSSJQZNGR-CVEARBPZSA-N 2 1 327.476 3.044 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2c[nH]c3nccnc23)C1 ZINC000290505726 456347945 /nfs/dbraw/zinc/34/79/45/456347945.db2.gz SSPANVSSJQZNGR-CVEARBPZSA-N 2 1 327.476 3.044 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2c[nH]c3nccnc23)C1 ZINC000290505726 456347949 /nfs/dbraw/zinc/34/79/49/456347949.db2.gz SSPANVSSJQZNGR-CVEARBPZSA-N 2 1 327.476 3.044 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2c[nH]c3nccnc23)C1 ZINC000290505726 456347954 /nfs/dbraw/zinc/34/79/54/456347954.db2.gz SSPANVSSJQZNGR-CVEARBPZSA-N 2 1 327.476 3.044 20 0 EGADMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(Cl)nc1 ZINC000290525807 456353045 /nfs/dbraw/zinc/35/30/45/456353045.db2.gz ZESIBRDISUIKOZ-AWEZNQCLSA-N 2 1 348.878 3.311 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000290545117 456359495 /nfs/dbraw/zinc/35/94/95/456359495.db2.gz RNDVBGQYOLJRLS-UHFFFAOYSA-N 2 1 329.473 3.176 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000290545117 456359502 /nfs/dbraw/zinc/35/95/02/456359502.db2.gz RNDVBGQYOLJRLS-UHFFFAOYSA-N 2 1 329.473 3.176 20 0 EGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000282029627 456393518 /nfs/dbraw/zinc/39/35/18/456393518.db2.gz FJMKQQJHUXFQPO-FPOVZHCZSA-N 2 1 330.516 3.488 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(COCCOC)cc2)C[C@@H]1C ZINC000347866600 456413981 /nfs/dbraw/zinc/41/39/81/456413981.db2.gz PKRWOYGYYPMQBQ-FXAWDEMLSA-N 2 1 334.504 3.154 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(COCCOC)cc2)C[C@@H]1C ZINC000347866600 456413986 /nfs/dbraw/zinc/41/39/86/456413986.db2.gz PKRWOYGYYPMQBQ-FXAWDEMLSA-N 2 1 334.504 3.154 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(COCCOC)cc2)C[C@@H]1C ZINC000347866600 456413988 /nfs/dbraw/zinc/41/39/88/456413988.db2.gz PKRWOYGYYPMQBQ-FXAWDEMLSA-N 2 1 334.504 3.154 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(COCCOC)cc2)C[C@H]1C ZINC000347866608 456415360 /nfs/dbraw/zinc/41/53/60/456415360.db2.gz PKRWOYGYYPMQBQ-YLJYHZDGSA-N 2 1 334.504 3.154 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(COCCOC)cc2)C[C@H]1C ZINC000347866608 456415366 /nfs/dbraw/zinc/41/53/66/456415366.db2.gz PKRWOYGYYPMQBQ-YLJYHZDGSA-N 2 1 334.504 3.154 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(COCCOC)cc2)C[C@H]1C ZINC000347866608 456415369 /nfs/dbraw/zinc/41/53/69/456415369.db2.gz PKRWOYGYYPMQBQ-YLJYHZDGSA-N 2 1 334.504 3.154 20 0 EGADMP CCOc1cc2[nH+]ccc(N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)c2cc1OCC ZINC000302866844 456421973 /nfs/dbraw/zinc/42/19/73/456421973.db2.gz VUMBKWNBQMBKAC-GASCZTMLSA-N 2 1 341.455 3.030 20 0 EGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)[C@@]1(C)CCCO1)c1ccccc1 ZINC000340476990 456485014 /nfs/dbraw/zinc/48/50/14/456485014.db2.gz DFWVMHQPSDWWHL-YSIASYRMSA-N 2 1 334.504 3.243 20 0 EGADMP C[N@H+]1CC[C@@H](NC2CC([NH+]3CCCCC3)C2)C[C@H]1c1ccccc1 ZINC000340375981 456423241 /nfs/dbraw/zinc/42/32/41/456423241.db2.gz VCDCETLULIVDLA-UEKLYDJUSA-N 2 1 327.516 3.428 20 0 EGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)[C@@]1(C)CCCO1)c1ccccc1 ZINC000340476990 456485020 /nfs/dbraw/zinc/48/50/20/456485020.db2.gz DFWVMHQPSDWWHL-YSIASYRMSA-N 2 1 334.504 3.243 20 0 EGADMP COc1ncccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340386634 456430922 /nfs/dbraw/zinc/43/09/22/456430922.db2.gz FCZQSCOCJBNAHX-MOPGFXCFSA-N 2 1 325.456 3.058 20 0 EGADMP COc1ncccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340386634 456430925 /nfs/dbraw/zinc/43/09/25/456430925.db2.gz FCZQSCOCJBNAHX-MOPGFXCFSA-N 2 1 325.456 3.058 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NCc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000353073630 456472413 /nfs/dbraw/zinc/47/24/13/456472413.db2.gz PYJHKRQVGPVXIY-HNNXBMFYSA-N 2 1 338.565 3.120 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@H]1SC ZINC000298571864 456494142 /nfs/dbraw/zinc/49/41/42/456494142.db2.gz XCXDEXOZCRHQDL-KBAYOESNSA-N 2 1 349.475 3.318 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000298596329 456498598 /nfs/dbraw/zinc/49/85/98/456498598.db2.gz YTVSOTJYFMQHNZ-OALUTQOASA-N 2 1 345.531 3.122 20 0 EGADMP CCCOc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282414989 456505997 /nfs/dbraw/zinc/50/59/97/456505997.db2.gz SHUWPDNFQDUKMG-KRWDZBQOSA-N 2 1 333.520 3.152 20 0 EGADMP Cc1noc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000282556646 456550891 /nfs/dbraw/zinc/55/08/91/456550891.db2.gz TWQUCSJJGBARJI-SFHVURJKSA-N 2 1 342.487 3.201 20 0 EGADMP Cc1noc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000282556646 456550897 /nfs/dbraw/zinc/55/08/97/456550897.db2.gz TWQUCSJJGBARJI-SFHVURJKSA-N 2 1 342.487 3.201 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cc1O ZINC000353259921 456594180 /nfs/dbraw/zinc/59/41/80/456594180.db2.gz FNVXFZVYMOZQGY-OAHLLOKOSA-N 2 1 341.455 3.424 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000282740320 456609314 /nfs/dbraw/zinc/60/93/14/456609314.db2.gz UEHLOSPVPUXQGA-UHFFFAOYSA-N 2 1 337.471 3.470 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(N2CCCNC2=O)cc1 ZINC000291342406 456612171 /nfs/dbraw/zinc/61/21/71/456612171.db2.gz WYGXILLJMUVYLV-AEFFLSMTSA-N 2 1 344.503 3.131 20 0 EGADMP Clc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc2c1OCCO2 ZINC000299345172 456662637 /nfs/dbraw/zinc/66/26/37/456662637.db2.gz PFADUTQRZVHHIQ-UHFFFAOYSA-N 2 1 336.863 3.218 20 0 EGADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](CC2CCCC2)c2ccccc2)CC1 ZINC000338169306 456679777 /nfs/dbraw/zinc/67/97/77/456679777.db2.gz KKSCRIKEMZSEDL-FQEVSTJZSA-N 2 1 343.515 3.062 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)C(C)(C)n1cncn1 ZINC000353407506 456681034 /nfs/dbraw/zinc/68/10/34/456681034.db2.gz BRJZCVXEPKKBBP-SJLPKXTDSA-N 2 1 333.524 3.036 20 0 EGADMP CC(C)Cc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000338204464 456704530 /nfs/dbraw/zinc/70/45/30/456704530.db2.gz KCHJEBMSAPUATC-UHFFFAOYSA-N 2 1 329.532 3.099 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000343570407 456714512 /nfs/dbraw/zinc/71/45/12/456714512.db2.gz MSCLOAZYLRDOIQ-HXUWFJFHSA-N 2 1 343.515 3.275 20 0 EGADMP CCC[NH+]1CCC[C@@H]1CNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000343570407 456714518 /nfs/dbraw/zinc/71/45/18/456714518.db2.gz MSCLOAZYLRDOIQ-HXUWFJFHSA-N 2 1 343.515 3.275 20 0 EGADMP CCC[NH+]1CCC[C@@H]1CNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000343570407 456714524 /nfs/dbraw/zinc/71/45/24/456714524.db2.gz MSCLOAZYLRDOIQ-HXUWFJFHSA-N 2 1 343.515 3.275 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000283337942 456761245 /nfs/dbraw/zinc/76/12/45/456761245.db2.gz QACDLKYPGWJHJI-LJQANCHMSA-N 2 1 333.495 3.031 20 0 EGADMP CCOC(=O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338322046 456769972 /nfs/dbraw/zinc/76/99/72/456769972.db2.gz SFTAZOKNMTZMRQ-GOSISDBHSA-N 2 1 332.488 3.220 20 0 EGADMP CCOC(=O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338322046 456769977 /nfs/dbraw/zinc/76/99/77/456769977.db2.gz SFTAZOKNMTZMRQ-GOSISDBHSA-N 2 1 332.488 3.220 20 0 EGADMP Cc1n[nH]cc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000353616521 456806670 /nfs/dbraw/zinc/80/66/70/456806670.db2.gz AVSSHVYQKVNQPK-SESVDKBCSA-N 2 1 338.499 3.499 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000344240350 456809346 /nfs/dbraw/zinc/80/93/46/456809346.db2.gz CSVXABYBINKYTO-YLJYHZDGSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000344680817 456846469 /nfs/dbraw/zinc/84/64/69/456846469.db2.gz CYQHLKXLPVVFKG-UXHICEINSA-N 2 1 345.531 3.162 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(OC)c(OC)cc2OC)C[C@H]1C ZINC000353752091 456890413 /nfs/dbraw/zinc/89/04/13/456890413.db2.gz ZWTRDRUSUCXPFK-ZBFHGGJFSA-N 2 1 336.476 3.017 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C[C@@H](C)OC)C(C)C)CC1 ZINC000353777868 456902358 /nfs/dbraw/zinc/90/23/58/456902358.db2.gz ZAWMVUQLJUNNKY-GOSISDBHSA-N 2 1 333.520 3.074 20 0 EGADMP Brc1c[nH+]ccc1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000341746081 456925312 /nfs/dbraw/zinc/92/53/12/456925312.db2.gz VQBIGSKRKMYKNN-UHFFFAOYSA-N 2 1 346.272 3.474 20 0 EGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000349279030 456929845 /nfs/dbraw/zinc/92/98/45/456929845.db2.gz NNHGBKWIUHRQOY-MDZRGWNJSA-N 2 1 331.504 3.003 20 0 EGADMP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000349279030 456929850 /nfs/dbraw/zinc/92/98/50/456929850.db2.gz NNHGBKWIUHRQOY-MDZRGWNJSA-N 2 1 331.504 3.003 20 0 EGADMP CCc1nc(NCC2CC[NH+](Cc3cccs3)CC2)cc(C)[nH+]1 ZINC000341925053 457004473 /nfs/dbraw/zinc/00/44/73/457004473.db2.gz FYKMGSCKIUAEEW-UHFFFAOYSA-N 2 1 330.501 3.155 20 0 EGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000339233447 457007216 /nfs/dbraw/zinc/00/72/16/457007216.db2.gz CFGWOGWEQGISNF-SZMVWBNQSA-N 2 1 335.492 3.319 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2nc(C)cs2)[C@H](C)C1 ZINC000349661143 457009358 /nfs/dbraw/zinc/00/93/58/457009358.db2.gz FDCGELSQGJIZPD-INMHGKMJSA-N 2 1 339.549 3.282 20 0 EGADMP Cc1ccc2[nH]c(C[NH2+]CCCC[N@H+]3CCC[C@H]3CO)cc2c1C ZINC000349676046 457013117 /nfs/dbraw/zinc/01/31/17/457013117.db2.gz ZWYQOPZLCXTWPM-SFHVURJKSA-N 2 1 329.488 3.111 20 0 EGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000354026416 457018167 /nfs/dbraw/zinc/01/81/67/457018167.db2.gz SRPALJJHXJWOSS-UHFFFAOYSA-N 2 1 344.421 3.427 20 0 EGADMP CCC[NH+]1CCC(N(C)C(=O)[C@@H](CC)[N@@H+](C)Cc2ccccc2)CC1 ZINC000339261014 457024985 /nfs/dbraw/zinc/02/49/85/457024985.db2.gz QIWDRLGVERZVBP-HXUWFJFHSA-N 2 1 345.531 3.230 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000354041456 457027324 /nfs/dbraw/zinc/02/73/24/457027324.db2.gz UMPJUTPEHYZNEF-MRXNPFEDSA-N 2 1 331.287 3.491 20 0 EGADMP C[NH+](C)Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccncn2)cc1 ZINC000358944019 457039819 /nfs/dbraw/zinc/03/98/19/457039819.db2.gz OXFAZMUZDQWNRK-NRFANRHFSA-N 2 1 332.451 3.417 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000354069147 457041903 /nfs/dbraw/zinc/04/19/03/457041903.db2.gz YBPCBWMSHQEBQX-ZNXRSXASSA-N 2 1 349.563 3.014 20 0 EGADMP CC[C@H](C(=O)NCCC[NH+]1CCCC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000339358986 457066615 /nfs/dbraw/zinc/06/66/15/457066615.db2.gz BJWLHZCYSRRODM-UYAOXDASSA-N 2 1 345.531 3.278 20 0 EGADMP CC[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000339358986 457066625 /nfs/dbraw/zinc/06/66/25/457066625.db2.gz BJWLHZCYSRRODM-UYAOXDASSA-N 2 1 345.531 3.278 20 0 EGADMP CC[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000339358986 457066632 /nfs/dbraw/zinc/06/66/32/457066632.db2.gz BJWLHZCYSRRODM-UYAOXDASSA-N 2 1 345.531 3.278 20 0 EGADMP CC[C@@H](C(=O)NCC[NH+](C(C)C)C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000339367946 457071346 /nfs/dbraw/zinc/07/13/46/457071346.db2.gz XYVVCRYOFGBQIZ-IBGZPJMESA-N 2 1 333.520 3.132 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(OCC(F)(F)F)c3)C[C@@H]21 ZINC000342127347 457122539 /nfs/dbraw/zinc/12/25/39/457122539.db2.gz MEYXHOGHWWOHGR-VNQPRFMTSA-N 2 1 328.378 3.187 20 0 EGADMP O[C@@]1(C[NH2+]Cc2ccc(F)c(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000339508742 457129718 /nfs/dbraw/zinc/12/97/18/457129718.db2.gz QLTNMNQMMWSEIH-LJQANCHMSA-N 2 1 348.849 3.206 20 0 EGADMP O[C@@]1(C[NH2+]Cc2ccc(F)c(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000339508742 457129723 /nfs/dbraw/zinc/12/97/23/457129723.db2.gz QLTNMNQMMWSEIH-LJQANCHMSA-N 2 1 348.849 3.206 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000359932404 457155324 /nfs/dbraw/zinc/15/53/24/457155324.db2.gz GAPBTCWPVPUFOA-DBXWQHBBSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000359932404 457155326 /nfs/dbraw/zinc/15/53/26/457155326.db2.gz GAPBTCWPVPUFOA-DBXWQHBBSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000359932404 457155331 /nfs/dbraw/zinc/15/53/31/457155331.db2.gz GAPBTCWPVPUFOA-DBXWQHBBSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000359932404 457155333 /nfs/dbraw/zinc/15/53/33/457155333.db2.gz GAPBTCWPVPUFOA-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000359932404 457155338 /nfs/dbraw/zinc/15/53/38/457155338.db2.gz GAPBTCWPVPUFOA-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP COC1(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CCCC1 ZINC000359959289 457172688 /nfs/dbraw/zinc/17/26/88/457172688.db2.gz RCWGSMSYXWSGGQ-HDICACEKSA-N 2 1 346.515 3.345 20 0 EGADMP C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000359970147 457177633 /nfs/dbraw/zinc/17/76/33/457177633.db2.gz KUSYZRMGLRWTLL-RHSMWYFYSA-N 2 1 344.421 3.464 20 0 EGADMP C[C@@H](CNc1ccncc1Br)[N@@H+](C)Cc1ccccc1 ZINC000342231008 457180839 /nfs/dbraw/zinc/18/08/39/457180839.db2.gz WVZKDCPCSOGYNZ-ZDUSSCGKSA-N 2 1 334.261 3.198 20 0 EGADMP C[C@@H](CNc1cc[nH+]cc1Br)[N@H+](C)Cc1ccccc1 ZINC000342231008 457180850 /nfs/dbraw/zinc/18/08/50/457180850.db2.gz WVZKDCPCSOGYNZ-ZDUSSCGKSA-N 2 1 334.261 3.198 20 0 EGADMP C[C@@H](CNc1cc[nH+]cc1Br)[N@@H+](C)Cc1ccccc1 ZINC000342231008 457180853 /nfs/dbraw/zinc/18/08/53/457180853.db2.gz WVZKDCPCSOGYNZ-ZDUSSCGKSA-N 2 1 334.261 3.198 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C[C@H]21 ZINC000346843099 457182957 /nfs/dbraw/zinc/18/29/57/457182957.db2.gz WYWAMRRZRALKSH-KBRIMQKVSA-N 2 1 330.863 3.289 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC000354389058 457193312 /nfs/dbraw/zinc/19/33/12/457193312.db2.gz WBZGKSXMSPTZOG-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[N@@H+]1CCCC[C@H]1C ZINC000356878229 457193657 /nfs/dbraw/zinc/19/36/57/457193657.db2.gz SRCJSRODKJJBDP-CABCVRRESA-N 2 1 335.458 3.256 20 0 EGADMP C[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[N@H+]1CCCC[C@H]1C ZINC000356878229 457193660 /nfs/dbraw/zinc/19/36/60/457193660.db2.gz SRCJSRODKJJBDP-CABCVRRESA-N 2 1 335.458 3.256 20 0 EGADMP CCc1cccnc1[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000356884227 457197440 /nfs/dbraw/zinc/19/74/40/457197440.db2.gz WIXRDEYPFBYOST-HNNXBMFYSA-N 2 1 339.487 3.370 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000360023633 457208996 /nfs/dbraw/zinc/20/89/96/457208996.db2.gz LANBPXAWVSNVTN-VKJFTORMSA-N 2 1 332.492 3.350 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000360023633 457209004 /nfs/dbraw/zinc/20/90/04/457209004.db2.gz LANBPXAWVSNVTN-VKJFTORMSA-N 2 1 332.492 3.350 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC000347089775 457224726 /nfs/dbraw/zinc/22/47/26/457224726.db2.gz DPMOTJTYSYBODP-OAHLLOKOSA-N 2 1 332.879 3.266 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC000347089775 457224732 /nfs/dbraw/zinc/22/47/32/457224732.db2.gz DPMOTJTYSYBODP-OAHLLOKOSA-N 2 1 332.879 3.266 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C1 ZINC000347172061 457269897 /nfs/dbraw/zinc/26/98/97/457269897.db2.gz OCMUKTWTDFVFOH-FQEVSTJZSA-N 2 1 340.515 3.288 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C1 ZINC000347172061 457269902 /nfs/dbraw/zinc/26/99/02/457269902.db2.gz OCMUKTWTDFVFOH-FQEVSTJZSA-N 2 1 340.515 3.288 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Br)cc4cccnc43)C[C@@H]12 ZINC000351495934 457301332 /nfs/dbraw/zinc/30/13/32/457301332.db2.gz QDYIPLXXPMLERU-APHBMKBZSA-N 2 1 346.272 3.166 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Br)cc4cccnc43)C[C@@H]12 ZINC000351495934 457301339 /nfs/dbraw/zinc/30/13/39/457301339.db2.gz QDYIPLXXPMLERU-APHBMKBZSA-N 2 1 346.272 3.166 20 0 EGADMP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357090432 457317097 /nfs/dbraw/zinc/31/70/97/457317097.db2.gz VPMLIZYMNNXGGD-OCCSQVGLSA-N 2 1 332.473 3.181 20 0 EGADMP CCN(CCC[NH+]1CCC([NH+]2CCCCC2)CC1)CC(F)(F)F ZINC000347294909 457336431 /nfs/dbraw/zinc/33/64/31/457336431.db2.gz IIJDQLSPCLRPBL-UHFFFAOYSA-N 2 1 335.458 3.211 20 0 EGADMP Cc1cccc(NCC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000357227908 457385409 /nfs/dbraw/zinc/38/54/09/457385409.db2.gz GWZLATFYYZHGQG-UYAOXDASSA-N 2 1 338.499 3.302 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C[C@@H](C)c1ccccc1)[C@H](C)CO ZINC000347406948 457407214 /nfs/dbraw/zinc/40/72/14/457407214.db2.gz BMDFFEJMQXBGKA-QZTJIDSGSA-N 2 1 329.488 3.458 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C[C@@H](C)c1ccccc1)[C@H](C)CO ZINC000347406948 457407221 /nfs/dbraw/zinc/40/72/21/457407221.db2.gz BMDFFEJMQXBGKA-QZTJIDSGSA-N 2 1 329.488 3.458 20 0 EGADMP CC[N@@H+](C)C[C@H]1CCN([C@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817165 457413483 /nfs/dbraw/zinc/41/34/83/457413483.db2.gz YNDUQYWQIALTBG-HZPDHXFCSA-N 2 1 328.460 3.380 20 0 EGADMP CC(C)OC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355780062 457417698 /nfs/dbraw/zinc/41/76/98/457417698.db2.gz IADXPNHKUVTQLA-NRFANRHFSA-N 2 1 344.499 3.316 20 0 EGADMP CC(C)OC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355780062 457417701 /nfs/dbraw/zinc/41/77/01/457417701.db2.gz IADXPNHKUVTQLA-NRFANRHFSA-N 2 1 344.499 3.316 20 0 EGADMP CC(C)OC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355780062 457417706 /nfs/dbraw/zinc/41/77/06/457417706.db2.gz IADXPNHKUVTQLA-NRFANRHFSA-N 2 1 344.499 3.316 20 0 EGADMP CC(C)OC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355780062 457417710 /nfs/dbraw/zinc/41/77/10/457417710.db2.gz IADXPNHKUVTQLA-NRFANRHFSA-N 2 1 344.499 3.316 20 0 EGADMP Clc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352539685 457450964 /nfs/dbraw/zinc/45/09/64/457450964.db2.gz BTQVQOHTPOOSOE-SFHVURJKSA-N 2 1 330.863 3.306 20 0 EGADMP Clc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352539685 457450967 /nfs/dbraw/zinc/45/09/67/457450967.db2.gz BTQVQOHTPOOSOE-SFHVURJKSA-N 2 1 330.863 3.306 20 0 EGADMP COc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OCC(C)C ZINC000352539913 457451335 /nfs/dbraw/zinc/45/13/35/457451335.db2.gz DYIPNXKMSYEODV-FQEVSTJZSA-N 2 1 332.488 3.306 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OCC(C)C ZINC000352539913 457451346 /nfs/dbraw/zinc/45/13/46/457451346.db2.gz DYIPNXKMSYEODV-FQEVSTJZSA-N 2 1 332.488 3.306 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCc1ccc(F)cc1Cl ZINC000356124179 457467859 /nfs/dbraw/zinc/46/78/59/457467859.db2.gz PBMWIJUNVARUBU-NXHRZFHOSA-N 2 1 340.870 3.205 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCc1ccc(F)cc1Cl ZINC000356124179 457467865 /nfs/dbraw/zinc/46/78/65/457467865.db2.gz PBMWIJUNVARUBU-NXHRZFHOSA-N 2 1 340.870 3.205 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CN(C)Cc1ccccc1)C(C)C ZINC000360967535 457473865 /nfs/dbraw/zinc/47/38/65/457473865.db2.gz AGJOMKNVFJGCGA-HXUWFJFHSA-N 2 1 328.504 3.328 20 0 EGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1OC(F)F ZINC000397296681 457486120 /nfs/dbraw/zinc/48/61/20/457486120.db2.gz BRRFORVBZSSPMQ-BZPMIXESSA-N 2 1 328.403 3.102 20 0 EGADMP Cc1cccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000399698973 457510601 /nfs/dbraw/zinc/51/06/01/457510601.db2.gz AYEHGAOTPDUMCQ-RTWAWAEBSA-N 2 1 335.495 3.386 20 0 EGADMP Cc1cccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000399698973 457510608 /nfs/dbraw/zinc/51/06/08/457510608.db2.gz AYEHGAOTPDUMCQ-RTWAWAEBSA-N 2 1 335.495 3.386 20 0 EGADMP Cc1cccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000399698973 457510610 /nfs/dbraw/zinc/51/06/10/457510610.db2.gz AYEHGAOTPDUMCQ-RTWAWAEBSA-N 2 1 335.495 3.386 20 0 EGADMP CCCN(CC[NH+]1CCCCC1)C(=O)CCn1cc[nH+]c1C(C)C ZINC000342783719 457525866 /nfs/dbraw/zinc/52/58/66/457525866.db2.gz PXGYQYOTTKSHMQ-UHFFFAOYSA-N 2 1 334.508 3.121 20 0 EGADMP C[C@@H]1C[C@@H](CC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC(C)(C)C1 ZINC000364210322 457527050 /nfs/dbraw/zinc/52/70/50/457527050.db2.gz ZGQSIPDOITWVFZ-SQNIBIBYSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[C@@H](CC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC(C)(C)C1 ZINC000364210322 457527057 /nfs/dbraw/zinc/52/70/57/457527057.db2.gz ZGQSIPDOITWVFZ-SQNIBIBYSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1cnc(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1C ZINC000342789804 457530773 /nfs/dbraw/zinc/53/07/73/457530773.db2.gz YCXUMGHGHZRVDD-UXHICEINSA-N 2 1 338.499 3.215 20 0 EGADMP COc1ccc(C2(C[NH2+]Cc3ncc(C[NH+](C)C)s3)CCC2)cc1 ZINC000352723210 457560294 /nfs/dbraw/zinc/56/02/94/457560294.db2.gz HUEAGXIIKOWDCH-UHFFFAOYSA-N 2 1 345.512 3.425 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(SC)s1 ZINC000356304741 457562210 /nfs/dbraw/zinc/56/22/10/457562210.db2.gz PSBDXVTWTJVGHG-HNNXBMFYSA-N 2 1 341.590 3.318 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000408506230 457572674 /nfs/dbraw/zinc/57/26/74/457572674.db2.gz FGRRYUWUEIDIEI-GJYPPUQNSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H](CCn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000361105685 457584805 /nfs/dbraw/zinc/58/48/05/457584805.db2.gz MNNAYHLDSYBEMV-AZUAARDMSA-N 2 1 326.488 3.164 20 0 EGADMP CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC)cc1 ZINC000361260505 457670525 /nfs/dbraw/zinc/67/05/25/457670525.db2.gz BZZLZAXKGIIWKN-ICSRJNTNSA-N 2 1 334.504 3.219 20 0 EGADMP Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000357784745 457688457 /nfs/dbraw/zinc/68/84/57/457688457.db2.gz NYKHNLFQHCJXPY-QGZVFWFLSA-N 2 1 325.456 3.073 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)s1 ZINC000357871646 457719842 /nfs/dbraw/zinc/71/98/42/457719842.db2.gz IEJMBRIOFQXZOR-CQSZACIVSA-N 2 1 339.549 3.413 20 0 EGADMP CC(C)[NH+](CCCCC[N@H+](C(C)C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000361409235 457721155 /nfs/dbraw/zinc/72/11/55/457721155.db2.gz UFCHNASVGYSJLA-RTBURBONSA-N 2 1 326.525 3.155 20 0 EGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912513 457732419 /nfs/dbraw/zinc/73/24/19/457732419.db2.gz XSZACTNBURYAHA-CRAIPNDOSA-N 2 1 349.906 3.109 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccnn2C)c1 ZINC000375004298 457751597 /nfs/dbraw/zinc/75/15/97/457751597.db2.gz YCDJZFLAIFUYMM-ICSRJNTNSA-N 2 1 338.499 3.312 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2ccnn2C)c1 ZINC000375004298 457751603 /nfs/dbraw/zinc/75/16/03/457751603.db2.gz YCDJZFLAIFUYMM-ICSRJNTNSA-N 2 1 338.499 3.312 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(-c2ccnn2C)c1 ZINC000375004298 457751608 /nfs/dbraw/zinc/75/16/08/457751608.db2.gz YCDJZFLAIFUYMM-ICSRJNTNSA-N 2 1 338.499 3.312 20 0 EGADMP Cc1ccnc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000433127294 457763124 /nfs/dbraw/zinc/76/31/24/457763124.db2.gz HKZIFITVGSHNBW-UHFFFAOYSA-N 2 1 336.483 3.273 20 0 EGADMP Cc1ccnc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000433127294 457763127 /nfs/dbraw/zinc/76/31/27/457763127.db2.gz HKZIFITVGSHNBW-UHFFFAOYSA-N 2 1 336.483 3.273 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1nnn(-c2ccccc2)c1C ZINC000358086118 457776794 /nfs/dbraw/zinc/77/67/94/457776794.db2.gz OEXNSGGLQFVEGY-LSDHHAIUSA-N 2 1 338.459 3.068 20 0 EGADMP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000433217789 457783031 /nfs/dbraw/zinc/78/30/31/457783031.db2.gz DFUPYEKQKHMXOX-IBGZPJMESA-N 2 1 329.488 3.484 20 0 EGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3ccnc(C[NH3+])c3)c2C1 ZINC000361612204 457806608 /nfs/dbraw/zinc/80/66/08/457806608.db2.gz WCSAJZKDNVXWBW-UHFFFAOYSA-N 2 1 338.455 3.154 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000366419492 457811489 /nfs/dbraw/zinc/81/14/89/457811489.db2.gz SAILXUMXOPILGL-NSISKUIASA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000366419492 457811495 /nfs/dbraw/zinc/81/14/95/457811495.db2.gz SAILXUMXOPILGL-NSISKUIASA-N 2 1 338.499 3.298 20 0 EGADMP CCCNC(=O)CCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000411350067 457863017 /nfs/dbraw/zinc/86/30/17/457863017.db2.gz RIKLWGDAENFDNT-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP Cc1ccc2ncc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)cc2c1 ZINC000411403529 457876688 /nfs/dbraw/zinc/87/66/88/457876688.db2.gz WMQCQMZFVNMJOQ-SESVDKBCSA-N 2 1 339.483 3.227 20 0 EGADMP Cc1ccc2ncc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)cc2c1 ZINC000411403529 457876691 /nfs/dbraw/zinc/87/66/91/457876691.db2.gz WMQCQMZFVNMJOQ-SESVDKBCSA-N 2 1 339.483 3.227 20 0 EGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000358257633 457892414 /nfs/dbraw/zinc/89/24/14/457892414.db2.gz SFSWIGIMHOYXBM-UZLBHIALSA-N 2 1 326.440 3.196 20 0 EGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000358257633 457892417 /nfs/dbraw/zinc/89/24/17/457892417.db2.gz SFSWIGIMHOYXBM-UZLBHIALSA-N 2 1 326.440 3.196 20 0 EGADMP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000375429063 457927508 /nfs/dbraw/zinc/92/75/08/457927508.db2.gz WNCLXXOIASADOM-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1C ZINC000411626367 457932502 /nfs/dbraw/zinc/93/25/02/457932502.db2.gz ZQVHMIQQJXPYIS-XLIONFOSSA-N 2 1 344.499 3.304 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCC1(F)F ZINC000411746028 457969540 /nfs/dbraw/zinc/96/95/40/457969540.db2.gz NSOKZWHVJSAPFD-SFHVURJKSA-N 2 1 338.442 3.122 20 0 EGADMP COc1ccc(C2([NH2+]CCCn3cc[nH+]c3C)CCOCC2)cc1F ZINC000444809482 457982179 /nfs/dbraw/zinc/98/21/79/457982179.db2.gz YBFILGJHIAMTCY-UHFFFAOYSA-N 2 1 347.434 3.025 20 0 EGADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000375643265 458001655 /nfs/dbraw/zinc/00/16/55/458001655.db2.gz KDCHQVXTVRFRRF-QAPCUYQASA-N 2 1 344.528 3.361 20 0 EGADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000375643265 458001660 /nfs/dbraw/zinc/00/16/60/458001660.db2.gz KDCHQVXTVRFRRF-QAPCUYQASA-N 2 1 344.528 3.361 20 0 EGADMP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000434643110 458027933 /nfs/dbraw/zinc/02/79/33/458027933.db2.gz AHYSGKUCDZZKOI-WIYYLYMNSA-N 2 1 345.531 3.288 20 0 EGADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000434643110 458027942 /nfs/dbraw/zinc/02/79/42/458027942.db2.gz AHYSGKUCDZZKOI-WIYYLYMNSA-N 2 1 345.531 3.288 20 0 EGADMP C[C@H](CC1CCOCC1)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000434643110 458027947 /nfs/dbraw/zinc/02/79/47/458027947.db2.gz AHYSGKUCDZZKOI-WIYYLYMNSA-N 2 1 345.531 3.288 20 0 EGADMP C[C@H](CC1CCOCC1)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000434643110 458027954 /nfs/dbraw/zinc/02/79/54/458027954.db2.gz AHYSGKUCDZZKOI-WIYYLYMNSA-N 2 1 345.531 3.288 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000358554782 458074149 /nfs/dbraw/zinc/07/41/49/458074149.db2.gz KPTPMIRLJYKXCN-KRWDZBQOSA-N 2 1 331.504 3.019 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCCC2(CCCC2)C1)c1ccccc1 ZINC000445848625 458099818 /nfs/dbraw/zinc/09/98/18/458099818.db2.gz HPUOVASVWLULIK-IBGZPJMESA-N 2 1 343.515 3.062 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375908314 458118325 /nfs/dbraw/zinc/11/83/25/458118325.db2.gz VZLRUDITSZEAHW-VQTJNVASSA-N 2 1 333.495 3.377 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000435370957 458122125 /nfs/dbraw/zinc/12/21/25/458122125.db2.gz KNDBFERUFSOWFR-TZMCWYRMSA-N 2 1 346.393 3.196 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435374142 458124027 /nfs/dbraw/zinc/12/40/27/458124027.db2.gz HLJQDNDUDVURTL-FUHWJXTLSA-N 2 1 338.499 3.394 20 0 EGADMP C[C@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@H]1[NH3+] ZINC000435374727 458124330 /nfs/dbraw/zinc/12/43/30/458124330.db2.gz JZBSDVZISKWOID-QFBILLFUSA-N 2 1 340.515 3.398 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@H]1[NH3+] ZINC000435374727 458124336 /nfs/dbraw/zinc/12/43/36/458124336.db2.gz JZBSDVZISKWOID-QFBILLFUSA-N 2 1 340.515 3.398 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000435373763 458124602 /nfs/dbraw/zinc/12/46/02/458124602.db2.gz VKYROFCKIFSVIR-OCCSQVGLSA-N 2 1 338.377 3.060 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000435382158 458129983 /nfs/dbraw/zinc/12/99/83/458129983.db2.gz ZUCFDDOFRDXUTP-DFQSSKMNSA-N 2 1 337.467 3.316 20 0 EGADMP Cc1nc(COc2ccc(C[N@H+](C)C3CC[NH2+]CC3)cc2)cs1 ZINC000435388424 458131689 /nfs/dbraw/zinc/13/16/89/458131689.db2.gz GQABGADBNLBPKS-UHFFFAOYSA-N 2 1 331.485 3.214 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435385850 458132805 /nfs/dbraw/zinc/13/28/05/458132805.db2.gz RVCHTEJMELCWGY-FUHWJXTLSA-N 2 1 325.456 3.220 20 0 EGADMP CCn1ccnc1C[N@@H+](CC1CCCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435432577 458145062 /nfs/dbraw/zinc/14/50/62/458145062.db2.gz JGYMTJFSFFVCII-SFHVURJKSA-N 2 1 330.520 3.427 20 0 EGADMP Cc1ccc(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1C ZINC000435439636 458147611 /nfs/dbraw/zinc/14/76/11/458147611.db2.gz UCLFHPJCFOFSSU-IBGZPJMESA-N 2 1 338.499 3.181 20 0 EGADMP Cc1ccc(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1C ZINC000435439636 458147615 /nfs/dbraw/zinc/14/76/15/458147615.db2.gz UCLFHPJCFOFSSU-IBGZPJMESA-N 2 1 338.499 3.181 20 0 EGADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435437952 458147643 /nfs/dbraw/zinc/14/76/43/458147643.db2.gz MDSQSTRVAQGNTA-KZNAEPCWSA-N 2 1 330.520 3.191 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)F)CC1 ZINC000358722829 458170467 /nfs/dbraw/zinc/17/04/67/458170467.db2.gz KHNITRGLFFVKAN-DLBZAZTESA-N 2 1 340.458 3.076 20 0 EGADMP Cc1cc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)nc(C)[nH+]1 ZINC000358730722 458176022 /nfs/dbraw/zinc/17/60/22/458176022.db2.gz GLYZUWQIEZPIKO-KRWDZBQOSA-N 2 1 330.863 3.418 20 0 EGADMP C[C@H](NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(OC(F)(F)F)c1 ZINC000372065979 458181115 /nfs/dbraw/zinc/18/11/15/458181115.db2.gz UVPXFTXQPBQDPU-JGGQBBKZSA-N 2 1 344.377 3.099 20 0 EGADMP C[N@H+]1CCC[C@@H](CNC(=O)CCCCCC[NH3+])[C@H]1c1cccs1 ZINC000372106117 458195648 /nfs/dbraw/zinc/19/56/48/458195648.db2.gz VPWFWRWKRVLZGV-YJBOKZPZSA-N 2 1 337.533 3.156 20 0 EGADMP CC(C)n1nccc1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000376147273 458212906 /nfs/dbraw/zinc/21/29/06/458212906.db2.gz GZVXSHBJTCJDAY-FQEVSTJZSA-N 2 1 326.488 3.466 20 0 EGADMP CC(C)n1nccc1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000376147273 458212911 /nfs/dbraw/zinc/21/29/11/458212911.db2.gz GZVXSHBJTCJDAY-FQEVSTJZSA-N 2 1 326.488 3.466 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000376204039 458233360 /nfs/dbraw/zinc/23/33/60/458233360.db2.gz VQMBNMSQQAJINN-RXVVDRJESA-N 2 1 343.559 3.442 20 0 EGADMP CN(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000436249564 458274968 /nfs/dbraw/zinc/27/49/68/458274968.db2.gz DZZBRBDKDFOJGP-PMACEKPBSA-N 2 1 343.515 3.203 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000436249564 458274972 /nfs/dbraw/zinc/27/49/72/458274972.db2.gz DZZBRBDKDFOJGP-PMACEKPBSA-N 2 1 343.515 3.203 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000436249564 458274975 /nfs/dbraw/zinc/27/49/75/458274975.db2.gz DZZBRBDKDFOJGP-PMACEKPBSA-N 2 1 343.515 3.203 20 0 EGADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(C)c1 ZINC000372330235 458278507 /nfs/dbraw/zinc/27/85/07/458278507.db2.gz FQPRYQYWXLEOEO-TZIWHRDSSA-N 2 1 329.532 3.070 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(C(C)C)C1CCCC1 ZINC000429226502 458292805 /nfs/dbraw/zinc/29/28/05/458292805.db2.gz KUVTVAKSWXWSFI-UHFFFAOYSA-N 2 1 348.535 3.337 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C(C)C)C1CCCC1 ZINC000429226502 458292810 /nfs/dbraw/zinc/29/28/10/458292810.db2.gz KUVTVAKSWXWSFI-UHFFFAOYSA-N 2 1 348.535 3.337 20 0 EGADMP COc1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000436403417 458299774 /nfs/dbraw/zinc/29/97/74/458299774.db2.gz APENXWOYWQHFGJ-PKOBYXMFSA-N 2 1 339.483 3.481 20 0 EGADMP CS[C@@H]1CCCC[N@@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000429681576 458356945 /nfs/dbraw/zinc/35/69/45/458356945.db2.gz CQVQEABFDFMWKJ-WOJBJXKFSA-N 2 1 348.556 3.495 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459425507 458367436 /nfs/dbraw/zinc/36/74/36/458367436.db2.gz KTGOYDVQUDVUIB-FQEVSTJZSA-N 3 1 330.520 3.295 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459425507 458367441 /nfs/dbraw/zinc/36/74/41/458367441.db2.gz KTGOYDVQUDVUIB-FQEVSTJZSA-N 3 1 330.520 3.295 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)[C@@H]1SC ZINC000459469951 458383182 /nfs/dbraw/zinc/38/31/82/458383182.db2.gz TVGAOQSBJOTMJQ-YGTYDBBMSA-N 2 1 326.550 3.138 20 0 EGADMP C[C@@H]1CN(c2ccccc2C[NH2+]CC2(C[NH+](C)C)CCCC2)CCO1 ZINC000459486785 458388563 /nfs/dbraw/zinc/38/85/63/458388563.db2.gz WXAMWYIWEXHSAZ-GOSISDBHSA-N 2 1 345.531 3.123 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cnccn1 ZINC000376835326 458402226 /nfs/dbraw/zinc/40/22/26/458402226.db2.gz CGOYXJBJYBVHNP-FRYIKTPZSA-N 2 1 336.483 3.428 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cnccn1 ZINC000376835326 458402230 /nfs/dbraw/zinc/40/22/30/458402230.db2.gz CGOYXJBJYBVHNP-FRYIKTPZSA-N 2 1 336.483 3.428 20 0 EGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459567840 458414146 /nfs/dbraw/zinc/41/41/46/458414146.db2.gz WMGFBDHRPDOODM-IBGZPJMESA-N 2 1 345.531 3.220 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459567840 458414150 /nfs/dbraw/zinc/41/41/50/458414150.db2.gz WMGFBDHRPDOODM-IBGZPJMESA-N 2 1 345.531 3.220 20 0 EGADMP FC(F)(F)c1cccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CC2)c1 ZINC000423489334 458442607 /nfs/dbraw/zinc/44/26/07/458442607.db2.gz FZKOHAXYRHWBSO-HOTGVXAUSA-N 2 1 328.378 3.125 20 0 EGADMP CC1=C(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1 ZINC000437359108 458448312 /nfs/dbraw/zinc/44/83/12/458448312.db2.gz XODRGFBWLBBXLI-UHFFFAOYSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccc1F ZINC000423551582 458457215 /nfs/dbraw/zinc/45/72/15/458457215.db2.gz GFPOHYWOYJPEQL-QGZVFWFLSA-N 2 1 341.474 3.470 20 0 EGADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459726051 458458413 /nfs/dbraw/zinc/45/84/13/458458413.db2.gz BFFYXRPNHPSEMF-WMZOPIPTSA-N 2 1 334.504 3.346 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459739645 458464880 /nfs/dbraw/zinc/46/48/80/458464880.db2.gz TUFKNZHWGBTABI-SFHVURJKSA-N 2 1 326.488 3.311 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000459743186 458465634 /nfs/dbraw/zinc/46/56/34/458465634.db2.gz WVRXJKCLTYJMRK-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000423737397 458477390 /nfs/dbraw/zinc/47/73/90/458477390.db2.gz AOJZCEHUTNYSIQ-VQIMIIECSA-N 2 1 331.504 3.045 20 0 EGADMP CCC[N@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C)C1CC[NH2+]CC1 ZINC000431071087 458525385 /nfs/dbraw/zinc/52/53/85/458525385.db2.gz SVBOIYKTSSLNNI-HXUWFJFHSA-N 2 1 349.494 3.103 20 0 EGADMP CCC[N@@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C)C1CC[NH2+]CC1 ZINC000431071087 458525391 /nfs/dbraw/zinc/52/53/91/458525391.db2.gz SVBOIYKTSSLNNI-HXUWFJFHSA-N 2 1 349.494 3.103 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1cccs1 ZINC000431569834 458590920 /nfs/dbraw/zinc/59/09/20/458590920.db2.gz HRBVIDLABQTWTE-DLBZAZTESA-N 2 1 349.544 3.264 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCOCC1 ZINC000462103461 458594392 /nfs/dbraw/zinc/59/43/92/458594392.db2.gz FXCNXNVCFACNJO-NRFANRHFSA-N 2 1 330.516 3.488 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000438552978 458595906 /nfs/dbraw/zinc/59/59/06/458595906.db2.gz PSXWSFZJSHJDMC-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC2(C[N@H+]1CC(=O)N(C1CC1)C1CCC(C)CC1)CC[NH2+]CC2 ZINC000424299778 458609523 /nfs/dbraw/zinc/60/95/23/458609523.db2.gz VTHPMUSELJMIEG-ADKAHSJRSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000431759696 458618626 /nfs/dbraw/zinc/61/86/26/458618626.db2.gz PQPQPKDLGUBEBL-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(-c3cnn(C)c3)s1)CC[NH2+]CC2 ZINC000424371198 458627706 /nfs/dbraw/zinc/62/77/06/458627706.db2.gz DBNIZWXYWCXMJG-AWEZNQCLSA-N 2 1 330.501 3.113 20 0 EGADMP COc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(OC(F)F)c1 ZINC000424385153 458631389 /nfs/dbraw/zinc/63/13/89/458631389.db2.gz WAFIXSDNCVOXFW-CYBMUJFWSA-N 2 1 340.414 3.261 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000438987740 458637948 /nfs/dbraw/zinc/63/79/48/458637948.db2.gz VCBHEAHOKVCZPB-LXZKKBNFSA-N 2 1 333.476 3.177 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000502242924 458642211 /nfs/dbraw/zinc/64/22/11/458642211.db2.gz UGUOTBQSEXWHHK-SJORKVTESA-N 2 1 334.504 3.265 20 0 EGADMP COCc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471021942 458673251 /nfs/dbraw/zinc/67/32/51/458673251.db2.gz LEOSTYCGCALRRY-SZPZYZBQSA-N 2 1 336.479 3.397 20 0 EGADMP COCc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471021942 458673259 /nfs/dbraw/zinc/67/32/59/458673259.db2.gz LEOSTYCGCALRRY-SZPZYZBQSA-N 2 1 336.479 3.397 20 0 EGADMP COCc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471021942 458673264 /nfs/dbraw/zinc/67/32/64/458673264.db2.gz LEOSTYCGCALRRY-SZPZYZBQSA-N 2 1 336.479 3.397 20 0 EGADMP COCc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471021942 458673266 /nfs/dbraw/zinc/67/32/66/458673266.db2.gz LEOSTYCGCALRRY-SZPZYZBQSA-N 2 1 336.479 3.397 20 0 EGADMP C[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000463145614 458678852 /nfs/dbraw/zinc/67/88/52/458678852.db2.gz NAFZZWXPPYTTNF-VQTJNVASSA-N 2 1 343.559 3.404 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)COc2ccccc2O1 ZINC000530211667 458717837 /nfs/dbraw/zinc/71/78/37/458717837.db2.gz NWVBNEOSZYCESK-OPYAIIAOSA-N 2 1 338.451 3.299 20 0 EGADMP CC(C)(C)c1csc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)n1 ZINC000530240797 458728230 /nfs/dbraw/zinc/72/82/30/458728230.db2.gz NXCUMYNEDOXOGQ-HNNXBMFYSA-N 2 1 337.533 3.031 20 0 EGADMP Cc1cccc(C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C2CC2)c1 ZINC000432418097 458735213 /nfs/dbraw/zinc/73/52/13/458735213.db2.gz PXZISPZPIWWSJU-GHTZIAJQSA-N 2 1 330.516 3.407 20 0 EGADMP Cc1cccc(C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C2CC2)c1 ZINC000432418097 458735222 /nfs/dbraw/zinc/73/52/22/458735222.db2.gz PXZISPZPIWWSJU-GHTZIAJQSA-N 2 1 330.516 3.407 20 0 EGADMP C[NH+](C)Cc1cccc(CNC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC000547430105 458738088 /nfs/dbraw/zinc/73/80/88/458738088.db2.gz ALGRLDXCIQKCRJ-UHFFFAOYSA-N 2 1 331.504 3.019 20 0 EGADMP Fc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1Cl ZINC000495088740 458798067 /nfs/dbraw/zinc/79/80/67/458798067.db2.gz MRHUYWCRESHKRT-KKUMJFAQSA-N 2 1 337.870 3.274 20 0 EGADMP Cc1ccc2c(C)cc(NCCC[N@@H+]3CCCO[C@H](C)C3)[nH+]c2c1 ZINC000432875572 458805688 /nfs/dbraw/zinc/80/56/88/458805688.db2.gz GTZODAJNGOBPSA-QGZVFWFLSA-N 2 1 327.472 3.186 20 0 EGADMP Cc1ccc2c(C)cc(NCCC[N@H+]3CCCO[C@H](C)C3)[nH+]c2c1 ZINC000432875572 458805694 /nfs/dbraw/zinc/80/56/94/458805694.db2.gz GTZODAJNGOBPSA-QGZVFWFLSA-N 2 1 327.472 3.186 20 0 EGADMP CCCCNC(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711863 458815557 /nfs/dbraw/zinc/81/55/57/458815557.db2.gz JXHHDUSXFPBJNJ-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP CCCCNC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711863 458815561 /nfs/dbraw/zinc/81/55/61/458815561.db2.gz JXHHDUSXFPBJNJ-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP CCCCNC(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711863 458815564 /nfs/dbraw/zinc/81/55/64/458815564.db2.gz JXHHDUSXFPBJNJ-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP CCCCNC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711863 458815568 /nfs/dbraw/zinc/81/55/68/458815568.db2.gz JXHHDUSXFPBJNJ-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000495552587 458881472 /nfs/dbraw/zinc/88/14/72/458881472.db2.gz CEPORLURBGTXQU-SJORKVTESA-N 2 1 339.524 3.098 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000495552587 458881473 /nfs/dbraw/zinc/88/14/73/458881473.db2.gz CEPORLURBGTXQU-SJORKVTESA-N 2 1 339.524 3.098 20 0 EGADMP CC(C)[C@H](C[NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000474720395 458897650 /nfs/dbraw/zinc/89/76/50/458897650.db2.gz PTZVLBQKRGZNAJ-NRFANRHFSA-N 2 1 331.548 3.289 20 0 EGADMP C[C@@H]1C[C@@H](NCc2cccc(N3CCC3=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000441194685 458898511 /nfs/dbraw/zinc/89/85/11/458898511.db2.gz GIPVRFGEQVFIKF-YLJYHZDGSA-N 2 1 349.478 3.176 20 0 EGADMP C[C@@H]1C[C@@H](NCc2cccc(N3CCC3=O)c2)C[N@H+]1Cc1ccccc1 ZINC000441194685 458898515 /nfs/dbraw/zinc/89/85/15/458898515.db2.gz GIPVRFGEQVFIKF-YLJYHZDGSA-N 2 1 349.478 3.176 20 0 EGADMP CC(C)COC[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000576863216 458937309 /nfs/dbraw/zinc/93/73/09/458937309.db2.gz IERHKDZDQBZKHV-NQIIRXRSSA-N 2 1 348.531 3.042 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000467194112 458957867 /nfs/dbraw/zinc/95/78/67/458957867.db2.gz GHSDHOVOINRWEO-RTBURBONSA-N 2 1 338.536 3.301 20 0 EGADMP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000495879550 458990684 /nfs/dbraw/zinc/99/06/84/458990684.db2.gz VRGOZRKGZCWANY-DOTOQJQBSA-N 2 1 339.524 3.096 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCCc2cncn2C)CC1)CC1CC1 ZINC000577189206 458994917 /nfs/dbraw/zinc/99/49/17/458994917.db2.gz VVBKUCBMMUQOHV-UHFFFAOYSA-N 2 1 332.536 3.187 20 0 EGADMP CC[N@H+](CCC1CC[NH+](CCCc2c[nH+]cn2C)CC1)CC1CC1 ZINC000577189206 458994922 /nfs/dbraw/zinc/99/49/22/458994922.db2.gz VVBKUCBMMUQOHV-UHFFFAOYSA-N 3 1 332.536 3.187 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCCc2c[nH+]cn2C)CC1)CC1CC1 ZINC000577189206 458994929 /nfs/dbraw/zinc/99/49/29/458994929.db2.gz VVBKUCBMMUQOHV-UHFFFAOYSA-N 3 1 332.536 3.187 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC=C(C)CC2)CC1 ZINC000556816876 459015619 /nfs/dbraw/zinc/01/56/19/459015619.db2.gz ZOJIRGFQQNVEKB-NRFANRHFSA-N 2 1 327.516 3.413 20 0 EGADMP CCCCNC(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476985616 459025915 /nfs/dbraw/zinc/02/59/15/459025915.db2.gz OEBAVBGXPRMMNT-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CC[N@@H+](C)C[C@H](O)CN(Cc1cc(F)ccc1F)C1CCCC1 ZINC000577408170 459029219 /nfs/dbraw/zinc/02/92/19/459029219.db2.gz KAYJFHDHCXVBLM-KRWDZBQOSA-N 2 1 326.431 3.022 20 0 EGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000442758488 459031249 /nfs/dbraw/zinc/03/12/49/459031249.db2.gz IUFMZCYUSKEFRO-IRXDYDNUSA-N 2 1 337.467 3.351 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CCOCC4CCC4)[C@H]3C2)cc1 ZINC000577434106 459031865 /nfs/dbraw/zinc/03/18/65/459031865.db2.gz GUFUKRNZCJQSQS-PCCBWWKXSA-N 2 1 328.500 3.303 20 0 EGADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000442785783 459035539 /nfs/dbraw/zinc/03/55/39/459035539.db2.gz AEIYQVNWPMRGTK-MDZRGWNJSA-N 2 1 331.504 3.051 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)CN[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000567059406 459041708 /nfs/dbraw/zinc/04/17/08/459041708.db2.gz XOGYMAVMDQEJSW-LRDDRELGSA-N 2 1 331.287 3.347 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442893308 459057089 /nfs/dbraw/zinc/05/70/89/459057089.db2.gz XTTZTDICSDYRTK-HOTGVXAUSA-N 2 1 337.939 3.448 20 0 EGADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000567169606 459058391 /nfs/dbraw/zinc/05/83/91/459058391.db2.gz WTBDIHCGANGDCL-YJBOKZPZSA-N 2 1 329.488 3.388 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000532280101 459060029 /nfs/dbraw/zinc/06/00/29/459060029.db2.gz YEQUDDSFMRSXCM-MISYRCLQSA-N 2 1 342.483 3.073 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000532280101 459060035 /nfs/dbraw/zinc/06/00/35/459060035.db2.gz YEQUDDSFMRSXCM-MISYRCLQSA-N 2 1 342.483 3.073 20 0 EGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000443057570 459079081 /nfs/dbraw/zinc/07/90/81/459079081.db2.gz HAEYWRBCUUIGKP-IRXDYDNUSA-N 2 1 339.483 3.078 20 0 EGADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000443057569 459079567 /nfs/dbraw/zinc/07/95/67/459079567.db2.gz HAEYWRBCUUIGKP-IAGOWNOFSA-N 2 1 339.483 3.078 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000443062235 459080564 /nfs/dbraw/zinc/08/05/64/459080564.db2.gz TXXWANZBZDCJJU-KRWDZBQOSA-N 2 1 337.467 3.353 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NCCC2CCCCC2)CC1 ZINC000532410513 459081939 /nfs/dbraw/zinc/08/19/39/459081939.db2.gz HMEFPLYCPQTSHZ-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443075897 459085389 /nfs/dbraw/zinc/08/53/89/459085389.db2.gz RTCFNQNSTBHYSB-INIZCTEOSA-N 2 1 349.494 3.014 20 0 EGADMP CCCc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c2ccccc2[nH+]1 ZINC000557697235 459101420 /nfs/dbraw/zinc/10/14/20/459101420.db2.gz OCLKPEJAMOEVCQ-WMZOPIPTSA-N 2 1 339.483 3.487 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)cc1 ZINC000594649650 459121973 /nfs/dbraw/zinc/12/19/73/459121973.db2.gz ZJCBFOCUYNUKHV-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000594649650 459121978 /nfs/dbraw/zinc/12/19/78/459121978.db2.gz ZJCBFOCUYNUKHV-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000594649650 459121982 /nfs/dbraw/zinc/12/19/82/459121982.db2.gz ZJCBFOCUYNUKHV-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000567677860 459143572 /nfs/dbraw/zinc/14/35/72/459143572.db2.gz CINXTJYHOYDFBB-VQTJNVASSA-N 2 1 348.531 3.287 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000496305822 459145136 /nfs/dbraw/zinc/14/51/36/459145136.db2.gz KETUHBBWZSZECZ-IKGGRYGDSA-N 2 1 339.524 3.001 20 0 EGADMP CC1CC[NH+](CCN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000558477766 459164014 /nfs/dbraw/zinc/16/40/14/459164014.db2.gz IWRGCKYPIYLUJG-YADHBBJMSA-N 2 1 341.543 3.172 20 0 EGADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000521640658 459169859 /nfs/dbraw/zinc/16/98/59/459169859.db2.gz ZQWBLNNGRGSVIR-JQFCIGGWSA-N 2 1 344.421 3.401 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000521640658 459169865 /nfs/dbraw/zinc/16/98/65/459169865.db2.gz ZQWBLNNGRGSVIR-JQFCIGGWSA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000521640658 459169868 /nfs/dbraw/zinc/16/98/68/459169868.db2.gz ZQWBLNNGRGSVIR-JQFCIGGWSA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000521640658 459169874 /nfs/dbraw/zinc/16/98/74/459169874.db2.gz ZQWBLNNGRGSVIR-JQFCIGGWSA-N 2 1 344.421 3.401 20 0 EGADMP c1cc([C@H]2CC[N@H+](CCC[NH+]3CC[C@@H](c4ccncc4)C3)C2)ccn1 ZINC000578245812 459170221 /nfs/dbraw/zinc/17/02/21/459170221.db2.gz ZFBFXTZHCNLYHQ-OYRHEFFESA-N 2 1 336.483 3.146 20 0 EGADMP c1cc([C@H]2CC[NH+](CCC[N@@H+]3CC[C@@H](c4ccncc4)C3)C2)ccn1 ZINC000578245812 459170226 /nfs/dbraw/zinc/17/02/26/459170226.db2.gz ZFBFXTZHCNLYHQ-OYRHEFFESA-N 2 1 336.483 3.146 20 0 EGADMP c1cc([C@H]2CC[NH+](CCC[N@H+]3CC[C@@H](c4ccncc4)C3)C2)ccn1 ZINC000578245812 459170231 /nfs/dbraw/zinc/17/02/31/459170231.db2.gz ZFBFXTZHCNLYHQ-OYRHEFFESA-N 2 1 336.483 3.146 20 0 EGADMP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000521995437 459201584 /nfs/dbraw/zinc/20/15/84/459201584.db2.gz LTPUNNFLURHTBT-HPZZRFSDSA-N 2 1 344.421 3.447 20 0 EGADMP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000521995437 459201595 /nfs/dbraw/zinc/20/15/95/459201595.db2.gz LTPUNNFLURHTBT-HPZZRFSDSA-N 2 1 344.421 3.447 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000590786947 459218224 /nfs/dbraw/zinc/21/82/24/459218224.db2.gz ZJPDYELBMOJGPP-UHFFFAOYSA-N 2 1 326.488 3.425 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000590786947 459218229 /nfs/dbraw/zinc/21/82/29/459218229.db2.gz ZJPDYELBMOJGPP-UHFFFAOYSA-N 2 1 326.488 3.425 20 0 EGADMP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786384 459219951 /nfs/dbraw/zinc/21/99/51/459219951.db2.gz BEEVGKGSKPRTDE-KRWDZBQOSA-N 2 1 331.504 3.374 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(C(C)(C)C)c3)C2)CC1 ZINC000595315121 459276333 /nfs/dbraw/zinc/27/63/33/459276333.db2.gz XONUVWRWZSZEPL-FQEVSTJZSA-N 2 1 329.532 3.196 20 0 EGADMP C[C@@H](CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[NH+]1CCC(C)CC1 ZINC000481971235 459283547 /nfs/dbraw/zinc/28/35/47/459283547.db2.gz GQCLGQGGOJLCQW-OALUTQOASA-N 2 1 347.547 3.398 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000482348619 459304676 /nfs/dbraw/zinc/30/46/76/459304676.db2.gz FZHAMYAWFRVFQK-HXUWFJFHSA-N 2 1 329.532 3.272 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000482481335 459310829 /nfs/dbraw/zinc/31/08/29/459310829.db2.gz OVFYTZNRMUPBDE-VQIMIIECSA-N 2 1 345.531 3.180 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000534347214 459318919 /nfs/dbraw/zinc/31/89/19/459318919.db2.gz AZKJMPAWBPTGQU-UHFFFAOYSA-N 2 1 340.515 3.484 20 0 EGADMP CO[C@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000560285162 459319899 /nfs/dbraw/zinc/31/98/99/459319899.db2.gz FLFRKAUGFWTGRZ-ROUUACIJSA-N 2 1 340.552 3.260 20 0 EGADMP COc1nc2ccccc2cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000560966684 459408102 /nfs/dbraw/zinc/40/81/02/459408102.db2.gz IXBMPNNDQWPYFC-QFBILLFUSA-N 2 1 325.456 3.207 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000560966684 459408104 /nfs/dbraw/zinc/40/81/04/459408104.db2.gz IXBMPNNDQWPYFC-QFBILLFUSA-N 2 1 325.456 3.207 20 0 EGADMP Clc1ccccc1CCC[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000560978681 459409161 /nfs/dbraw/zinc/40/91/61/459409161.db2.gz MFQJQBVBHILHOG-KRWDZBQOSA-N 2 1 336.907 3.317 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(F)cc2C)[C@@H](C)C1 ZINC000484274425 459410285 /nfs/dbraw/zinc/41/02/85/459410285.db2.gz DRFAARHYGATEGQ-FXAWDEMLSA-N 2 1 336.495 3.403 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)Oc1ccccc1Br ZINC000484485987 459415272 /nfs/dbraw/zinc/41/52/72/459415272.db2.gz QHBGEZMPOQPGPP-GZBFAFLISA-N 2 1 341.293 3.146 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000497041074 459415690 /nfs/dbraw/zinc/41/56/90/459415690.db2.gz YYSUONPBJVXVPO-IAGOWNOFSA-N 2 1 339.524 3.098 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000497057290 459421461 /nfs/dbraw/zinc/42/14/61/459421461.db2.gz UVHJWDGVIJYGLQ-JKSUJKDBSA-N 2 1 336.480 3.007 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)CCc3ccccc3)C2)CC1 ZINC000525173131 459423823 /nfs/dbraw/zinc/42/38/23/459423823.db2.gz GYKCCVKFNKIKJU-FPOVZHCZSA-N 2 1 329.532 3.108 20 0 EGADMP C/C(=C/c1ccccc1)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000525460440 459457073 /nfs/dbraw/zinc/45/70/73/459457073.db2.gz AUSDLFWHRCZWCO-DJAVKIJBSA-N 2 1 336.479 3.317 20 0 EGADMP C[N@@H+](CCOc1ccccc1C(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000525488293 459459479 /nfs/dbraw/zinc/45/94/79/459459479.db2.gz JJFINGWRXSDCNH-CQSZACIVSA-N 2 1 330.394 3.358 20 0 EGADMP C[NH+](CCOc1ccccc1C(F)(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000525488293 459459486 /nfs/dbraw/zinc/45/94/86/459459486.db2.gz JJFINGWRXSDCNH-CQSZACIVSA-N 2 1 330.394 3.358 20 0 EGADMP C[NH+](CCOc1ccccc1C(F)(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000525488293 459459489 /nfs/dbraw/zinc/45/94/89/459459489.db2.gz JJFINGWRXSDCNH-CQSZACIVSA-N 2 1 330.394 3.358 20 0 EGADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000497159411 459465935 /nfs/dbraw/zinc/46/59/35/459465935.db2.gz GIHLGUFYRPMPQY-IRXDYDNUSA-N 2 1 337.508 3.016 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(F)ccc3C)CC2)CC1 ZINC000583035263 459471147 /nfs/dbraw/zinc/47/11/47/459471147.db2.gz UYBJPPZBADYEOJ-UHFFFAOYSA-N 2 1 347.478 3.269 20 0 EGADMP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000497174652 459472489 /nfs/dbraw/zinc/47/24/89/459472489.db2.gz AHOFCHGWZIVUHW-HOTGVXAUSA-N 2 1 339.524 3.286 20 0 EGADMP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000497174652 459472494 /nfs/dbraw/zinc/47/24/94/459472494.db2.gz AHOFCHGWZIVUHW-HOTGVXAUSA-N 2 1 339.524 3.286 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000562039372 459506134 /nfs/dbraw/zinc/50/61/34/459506134.db2.gz GTJIKUCWWLDKAO-LXTVHRRPSA-N 2 1 336.442 3.442 20 0 EGADMP O=C(NC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1)Nc1ccccc1 ZINC000569795428 459511448 /nfs/dbraw/zinc/51/14/48/459511448.db2.gz TYUDRGIFVTYIDW-HKUYNNGSSA-N 2 1 344.503 3.052 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C[C@H]1C ZINC000596093652 459517249 /nfs/dbraw/zinc/51/72/49/459517249.db2.gz CUHMZBXPXTYAIU-XGXHKWSGSA-N 2 1 336.520 3.066 20 0 EGADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCCC23CCC3)c2cccs2)CC1 ZINC000562646554 459610367 /nfs/dbraw/zinc/61/03/67/459610367.db2.gz RQWQIDQYOAFFSI-SJLPKXTDSA-N 2 1 333.545 3.349 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000592487983 459611983 /nfs/dbraw/zinc/61/19/83/459611983.db2.gz DUTUPDCSSDGCTQ-XJKSGUPXSA-N 2 1 330.428 3.169 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000592487983 459611989 /nfs/dbraw/zinc/61/19/89/459611989.db2.gz DUTUPDCSSDGCTQ-XJKSGUPXSA-N 2 1 330.428 3.169 20 0 EGADMP Cc1cc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn2ccnc12 ZINC000573337264 459662252 /nfs/dbraw/zinc/66/22/52/459662252.db2.gz KXAZIMSHEKBMCN-QGZVFWFLSA-N 2 1 334.423 3.103 20 0 EGADMP Cc1cc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000573337264 459662256 /nfs/dbraw/zinc/66/22/56/459662256.db2.gz KXAZIMSHEKBMCN-QGZVFWFLSA-N 2 1 334.423 3.103 20 0 EGADMP Cc1cc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000573337264 459662261 /nfs/dbraw/zinc/66/22/61/459662261.db2.gz KXAZIMSHEKBMCN-QGZVFWFLSA-N 2 1 334.423 3.103 20 0 EGADMP C[C@H](NC(=O)c1ccccc1Oc1ccncc1)C1=CC[N@@H+](C)CC1 ZINC000573507548 459689295 /nfs/dbraw/zinc/68/92/95/459689295.db2.gz HTPNQJPMZGXVFZ-HNNXBMFYSA-N 2 1 337.423 3.254 20 0 EGADMP C[C@H](c1nc(-c2cccs2)no1)N1CC[C@H](c2nccn2C)C1 ZINC000573931382 459759102 /nfs/dbraw/zinc/75/91/02/459759102.db2.gz TZJROSURCQDGAQ-NEPJUHHUSA-N 2 1 329.429 3.082 20 0 EGADMP C[C@@H](c1nc(-c2cccs2)no1)N1CC[C@@H](c2nccn2C)C1 ZINC000573931383 459759124 /nfs/dbraw/zinc/75/91/24/459759124.db2.gz TZJROSURCQDGAQ-NWDGAFQWSA-N 2 1 329.429 3.082 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC34CC(C3)CO4)[C@@H]3CCC[C@H]32)cc1 ZINC000527978734 459786593 /nfs/dbraw/zinc/78/65/93/459786593.db2.gz GITLLTGFOBLZMP-SONFCDGGSA-N 2 1 326.484 3.198 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000566017201 459793671 /nfs/dbraw/zinc/79/36/71/459793671.db2.gz ACJOVFGYGQTISW-XJKSGUPXSA-N 2 1 330.863 3.417 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000566017201 459793678 /nfs/dbraw/zinc/79/36/78/459793678.db2.gz ACJOVFGYGQTISW-XJKSGUPXSA-N 2 1 330.863 3.417 20 0 EGADMP Cc1cc(C)c([C@@H](C)[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(C)c1 ZINC000566058992 459799330 /nfs/dbraw/zinc/79/93/30/459799330.db2.gz NBFWNUHGFFDLHR-AEFFLSMTSA-N 2 1 327.476 3.060 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000566063383 459800429 /nfs/dbraw/zinc/80/04/29/459800429.db2.gz RQLBPKXAGNSEGY-WMLDXEAASA-N 2 1 344.421 3.321 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000566118996 459809683 /nfs/dbraw/zinc/80/96/83/459809683.db2.gz MXODKUOYEVMGEQ-IEBWSBKVSA-N 2 1 348.531 3.045 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000566174839 459818821 /nfs/dbraw/zinc/81/88/21/459818821.db2.gz BDFDCVCTUDTKKJ-YDZRNGNQSA-N 2 1 335.536 3.007 20 0 EGADMP C[C@@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000574865740 459883897 /nfs/dbraw/zinc/88/38/97/459883897.db2.gz PMVXVOZLTNMHFP-LXTOLFJKSA-N 2 1 348.453 3.465 20 0 EGADMP FC(F)(F)Oc1ccc(OCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000575046665 459915682 /nfs/dbraw/zinc/91/56/82/459915682.db2.gz ZCMNTXUVJAPPTI-INIZCTEOSA-N 2 1 344.377 3.040 20 0 EGADMP FC(F)(F)Oc1ccc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000575046665 459915686 /nfs/dbraw/zinc/91/56/86/459915686.db2.gz ZCMNTXUVJAPPTI-INIZCTEOSA-N 2 1 344.377 3.040 20 0 EGADMP C[C@H]1[C@@H](NC2CC[NH+](CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000576134273 460077459 /nfs/dbraw/zinc/07/74/59/460077459.db2.gz BHGMMIGSDDGEPS-UWJYYQICSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H]1[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCN1Cc1ccccc1 ZINC000576134273 460077461 /nfs/dbraw/zinc/07/74/61/460077461.db2.gz BHGMMIGSDDGEPS-UWJYYQICSA-N 2 1 327.516 3.113 20 0 EGADMP O[C@H](Cc1cccc(Cl)c1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000576607770 460178552 /nfs/dbraw/zinc/17/85/52/460178552.db2.gz GOKKHYHGDDFTBI-IEBWSBKVSA-N 2 1 336.907 3.051 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1 ZINC000615310343 460307614 /nfs/dbraw/zinc/30/76/14/460307614.db2.gz VWNTXUSDKMSTLZ-LPHOPBHVSA-N 2 1 331.504 3.083 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)C(C)C)cc2)C1 ZINC000619899554 460466003 /nfs/dbraw/zinc/46/60/03/460466003.db2.gz QVCZEZWNCUQPCN-IBGZPJMESA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)C1 ZINC000619899554 460466010 /nfs/dbraw/zinc/46/60/10/460466010.db2.gz QVCZEZWNCUQPCN-IBGZPJMESA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)C1 ZINC000619899554 460466015 /nfs/dbraw/zinc/46/60/15/460466015.db2.gz QVCZEZWNCUQPCN-IBGZPJMESA-N 2 1 331.504 3.131 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3ncccc23)[C@@H](C)C1 ZINC000634687498 460477262 /nfs/dbraw/zinc/47/72/62/460477262.db2.gz NGXMKUVTUJYRSN-FXAWDEMLSA-N 2 1 341.499 3.461 20 0 EGADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000634732902 460498461 /nfs/dbraw/zinc/49/84/61/460498461.db2.gz ROYXACQBVCQOKM-YZGWKJHDSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCN1Cc1ccccc1 ZINC000634732902 460498465 /nfs/dbraw/zinc/49/84/65/460498465.db2.gz ROYXACQBVCQOKM-YZGWKJHDSA-N 2 1 329.532 3.407 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCCC[NH+](C)C2)cc1)C(C)C ZINC000628747924 460524882 /nfs/dbraw/zinc/52/48/82/460524882.db2.gz CXLJFTIJLFWGCN-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1)C(C)C ZINC000628747924 460524887 /nfs/dbraw/zinc/52/48/87/460524887.db2.gz CXLJFTIJLFWGCN-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1)C(C)C ZINC000628747924 460524892 /nfs/dbraw/zinc/52/48/92/460524892.db2.gz CXLJFTIJLFWGCN-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP CCc1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000605026239 460528052 /nfs/dbraw/zinc/52/80/52/460528052.db2.gz JETVXMLCXXFBEI-OALUTQOASA-N 2 1 329.532 3.239 20 0 EGADMP Clc1ccc2c(c1)[C@H]([NH2+]Cc1cn([C@@H]3CC[NH2+]C3)nn1)CCCC2 ZINC000629552532 460805740 /nfs/dbraw/zinc/80/57/40/460805740.db2.gz LQWUVBJHDLIMAC-SJLPKXTDSA-N 2 1 345.878 3.023 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](CCOc2ccc(Cl)cc2)CC[C@H]1C(F)(F)F ZINC000629562797 460810342 /nfs/dbraw/zinc/81/03/42/460810342.db2.gz CEBCTWOITMRHGM-SMDDNHRTSA-N 2 1 336.785 3.178 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2)CC[C@H]1C(F)(F)F ZINC000629562797 460810350 /nfs/dbraw/zinc/81/03/50/460810350.db2.gz CEBCTWOITMRHGM-SMDDNHRTSA-N 2 1 336.785 3.178 20 0 EGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629563858 460810741 /nfs/dbraw/zinc/81/07/41/460810741.db2.gz RTGHYTXOLUJTQP-GDBMZVCRSA-N 2 1 330.394 3.433 20 0 EGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629563858 460810746 /nfs/dbraw/zinc/81/07/46/460810746.db2.gz RTGHYTXOLUJTQP-GDBMZVCRSA-N 2 1 330.394 3.433 20 0 EGADMP C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)CC(C)(C)C ZINC000601477403 460818747 /nfs/dbraw/zinc/81/87/47/460818747.db2.gz SAMVNFGJWBDWJA-AEFFLSMTSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@H](CC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)CC(C)(C)C ZINC000601477403 460818752 /nfs/dbraw/zinc/81/87/52/460818752.db2.gz SAMVNFGJWBDWJA-AEFFLSMTSA-N 2 1 337.552 3.076 20 0 EGADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc(OC)c1OC ZINC000624119699 460867880 /nfs/dbraw/zinc/86/78/80/460867880.db2.gz HJAGUZXOBJVVOO-HUUCEWRRSA-N 2 1 336.476 3.095 20 0 EGADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000621109268 460894794 /nfs/dbraw/zinc/89/47/94/460894794.db2.gz SEVBVKQZPUJDIL-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+](CC2CC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000621109268 460894803 /nfs/dbraw/zinc/89/48/03/460894803.db2.gz SEVBVKQZPUJDIL-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+](CC2CC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000621109268 460894809 /nfs/dbraw/zinc/89/48/09/460894809.db2.gz SEVBVKQZPUJDIL-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C)[NH+](C)C ZINC000635847675 460947028 /nfs/dbraw/zinc/94/70/28/460947028.db2.gz AFSSVHBTKRAYHT-LPHOPBHVSA-N 2 1 342.487 3.123 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)C1CCC1 ZINC000629948409 460968741 /nfs/dbraw/zinc/96/87/41/460968741.db2.gz GBLLGIZPDGQOGD-SFHVURJKSA-N 2 1 349.906 3.077 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1CCC1 ZINC000629948409 460968755 /nfs/dbraw/zinc/96/87/55/460968755.db2.gz GBLLGIZPDGQOGD-SFHVURJKSA-N 2 1 349.906 3.077 20 0 EGADMP C[N@@H+](CC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1)C1CCC1 ZINC000629987755 460987789 /nfs/dbraw/zinc/98/77/89/460987789.db2.gz PKOXNBZTSUQXJB-UHFFFAOYSA-N 2 1 338.455 3.309 20 0 EGADMP CN(CC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1)C1CCC1 ZINC000629987755 460987792 /nfs/dbraw/zinc/98/77/92/460987792.db2.gz PKOXNBZTSUQXJB-UHFFFAOYSA-N 2 1 338.455 3.309 20 0 EGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3CC[N@H+]3C3CCCC3)ccc21 ZINC000635996904 461001994 /nfs/dbraw/zinc/00/19/94/461001994.db2.gz LBYRXPLSHYFSNQ-RBUKOAKNSA-N 2 1 327.472 3.191 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCc3c(F)cccc3Cl)C2)C1 ZINC000652348214 461143369 /nfs/dbraw/zinc/14/33/69/461143369.db2.gz XRSQIZQUJJOQAT-HBUWYVDXSA-N 2 1 340.870 3.240 20 0 EGADMP CCC[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000662256661 461145316 /nfs/dbraw/zinc/14/53/16/461145316.db2.gz MUQYMDMBESQISJ-VAMGGRTRSA-N 2 1 328.500 3.358 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000668167072 461152206 /nfs/dbraw/zinc/15/22/06/461152206.db2.gz RPLQZYLWKVJCIJ-INIZCTEOSA-N 2 1 331.460 3.127 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000668167072 461152213 /nfs/dbraw/zinc/15/22/13/461152213.db2.gz RPLQZYLWKVJCIJ-INIZCTEOSA-N 2 1 331.460 3.127 20 0 EGADMP CC(C)(C)c1csc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)n1 ZINC000652364124 461157539 /nfs/dbraw/zinc/15/75/39/461157539.db2.gz YSWFRHPUUGFTMR-RBSFLKMASA-N 2 1 337.533 3.301 20 0 EGADMP CC(C)(C)c1csc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)n1 ZINC000652364124 461157549 /nfs/dbraw/zinc/15/75/49/461157549.db2.gz YSWFRHPUUGFTMR-RBSFLKMASA-N 2 1 337.533 3.301 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC[C@@H]2CCc3ccccc32)C1 ZINC000662284437 461166374 /nfs/dbraw/zinc/16/63/74/461166374.db2.gz NHCVAVNVQGOQJM-YHELAOLJSA-N 2 1 328.500 3.467 20 0 EGADMP c1csc(-c2noc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662298026 461174505 /nfs/dbraw/zinc/17/45/05/461174505.db2.gz UAGPPVNGUPSCDU-CQSZACIVSA-N 2 1 332.473 3.010 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295806 461175217 /nfs/dbraw/zinc/17/52/17/461175217.db2.gz UQTFZYSXMHAZJM-INIZCTEOSA-N 2 1 349.906 3.299 20 0 EGADMP CSc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000662312940 461184652 /nfs/dbraw/zinc/18/46/52/461184652.db2.gz BKIHNYLSEXHCIP-RHSMWYFYSA-N 2 1 335.517 3.186 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCCC[C@@H]1O ZINC000649572667 461185169 /nfs/dbraw/zinc/18/51/69/461185169.db2.gz DTNSCNZPLGBRSG-ICSRJNTNSA-N 2 1 331.504 3.171 20 0 EGADMP C[C@@H](c1cccnc1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327535 461194873 /nfs/dbraw/zinc/19/48/73/461194873.db2.gz RAXRVNSRHSEAHW-HNNXBMFYSA-N 2 1 339.487 3.212 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(CO)ccn2)C1 ZINC000641296173 461205600 /nfs/dbraw/zinc/20/56/00/461205600.db2.gz WOGJGLZRQPLEAR-MRXNPFEDSA-N 2 1 325.456 3.418 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3ccnc(C)n3)C2)s1 ZINC000649603454 461211544 /nfs/dbraw/zinc/21/15/44/461211544.db2.gz NOXIVOKHDHCMBD-INIZCTEOSA-N 2 1 330.501 3.109 20 0 EGADMP OCCCCOc1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000638104813 461239193 /nfs/dbraw/zinc/23/91/93/461239193.db2.gz NBUZGAKSSXGQDO-HXUWFJFHSA-N 2 1 346.515 3.288 20 0 EGADMP OCCCCOc1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000638104813 461239198 /nfs/dbraw/zinc/23/91/98/461239198.db2.gz NBUZGAKSSXGQDO-HXUWFJFHSA-N 2 1 346.515 3.288 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3C[C@]34CCC[NH2+]C4)cc2)C1 ZINC000655444018 461254392 /nfs/dbraw/zinc/25/43/92/461254392.db2.gz HCPHNCHZLFDLEV-BSIFCXSSSA-N 2 1 341.499 3.247 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638122590 461255049 /nfs/dbraw/zinc/25/50/49/461255049.db2.gz KWXIPOOIFKELRJ-MAUKXSAKSA-N 2 1 332.488 3.355 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638122590 461255060 /nfs/dbraw/zinc/25/50/60/461255060.db2.gz KWXIPOOIFKELRJ-MAUKXSAKSA-N 2 1 332.488 3.355 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638122593 461256088 /nfs/dbraw/zinc/25/60/88/461256088.db2.gz KWXIPOOIFKELRJ-YJBOKZPZSA-N 2 1 332.488 3.355 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638122593 461256093 /nfs/dbraw/zinc/25/60/93/461256093.db2.gz KWXIPOOIFKELRJ-YJBOKZPZSA-N 2 1 332.488 3.355 20 0 EGADMP CN(C(=O)c1cccc2c1C[NH2+]C2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000662486146 461264256 /nfs/dbraw/zinc/26/42/56/461264256.db2.gz LOWSZWPVQPWGMH-IBGZPJMESA-N 2 1 349.478 3.026 20 0 EGADMP CC[C@@H]1CN(C(=O)c2cccc3c2C[NH2+]C3)CC[N@@H+]1Cc1ccccc1 ZINC000662537636 461288040 /nfs/dbraw/zinc/28/80/40/461288040.db2.gz NUVCDOUERNXFOQ-LJQANCHMSA-N 2 1 349.478 3.026 20 0 EGADMP CC[C@@H]1CN(C(=O)c2cccc3c2C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000662537636 461288045 /nfs/dbraw/zinc/28/80/45/461288045.db2.gz NUVCDOUERNXFOQ-LJQANCHMSA-N 2 1 349.478 3.026 20 0 EGADMP CC(C)O[C@@H]1CCC[NH+](C[C@@H](C)C[N@H+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649702737 461290986 /nfs/dbraw/zinc/29/09/86/461290986.db2.gz LYQRIAXVYDANNW-OWZKRDHZSA-N 2 1 340.552 3.401 20 0 EGADMP CC(C)O[C@@H]1CCC[N@@H+](C[C@@H](C)C[NH+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649702737 461290992 /nfs/dbraw/zinc/29/09/92/461290992.db2.gz LYQRIAXVYDANNW-OWZKRDHZSA-N 2 1 340.552 3.401 20 0 EGADMP CC(C)O[C@@H]1CCC[N@H+](C[C@@H](C)C[NH+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649702737 461291000 /nfs/dbraw/zinc/29/10/00/461291000.db2.gz LYQRIAXVYDANNW-OWZKRDHZSA-N 2 1 340.552 3.401 20 0 EGADMP CC[N@@H+](CCCNC(=O)c1cc2c(s1)CC[NH2+]C2)C1CCCCC1 ZINC000662582571 461304103 /nfs/dbraw/zinc/30/41/03/461304103.db2.gz PHXQHUJKUCYTME-UHFFFAOYSA-N 2 1 349.544 3.168 20 0 EGADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCC[NH+](C)C ZINC000652713709 461327398 /nfs/dbraw/zinc/32/73/98/461327398.db2.gz VLTISMJXJZPNRP-IPMKNSEASA-N 2 1 345.531 3.228 20 0 EGADMP Cn1c(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc2ccccc21 ZINC000638304044 461357041 /nfs/dbraw/zinc/35/70/41/461357041.db2.gz AYVNVXQHRXBXCY-UHFFFAOYSA-N 2 1 349.478 3.300 20 0 EGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662745555 461363345 /nfs/dbraw/zinc/36/33/45/461363345.db2.gz NOOPOQOMRAJRKN-RTBURBONSA-N 2 1 343.515 3.012 20 0 EGADMP Fc1ccc(SCCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655688943 461363796 /nfs/dbraw/zinc/36/37/96/461363796.db2.gz BIOAEAXBTJEUCZ-QGZVFWFLSA-N 2 1 338.492 3.151 20 0 EGADMP CCn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(-c2ccccc2)n1 ZINC000641775224 461365756 /nfs/dbraw/zinc/36/57/56/461365756.db2.gz YSDWBUBDNHUGCE-KRWDZBQOSA-N 2 1 326.488 3.392 20 0 EGADMP CC(C)OCc1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655699576 461372278 /nfs/dbraw/zinc/37/22/78/461372278.db2.gz DFZXYTAMIFMKMV-NRFANRHFSA-N 2 1 346.515 3.345 20 0 EGADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2ccccc2Oc2ccccc2)C[C@@H]1[NH3+] ZINC000641805549 461380108 /nfs/dbraw/zinc/38/01/08/461380108.db2.gz NPRNTIMOIIKIJB-ZWKOTPCHSA-N 2 1 339.439 3.133 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCC(C)(C)[NH3+])c1 ZINC000641815544 461385922 /nfs/dbraw/zinc/38/59/22/461385922.db2.gz XBIRYRIBBFEEKX-UHFFFAOYSA-N 2 1 343.475 3.304 20 0 EGADMP CO[C@H](C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@H]1CCOC1 ZINC000638362982 461387701 /nfs/dbraw/zinc/38/77/01/461387701.db2.gz HSHMGVCZWRSLCN-DZFGPLHGSA-N 2 1 346.515 3.202 20 0 EGADMP [NH3+][C@H](CCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)CC1CCCCC1 ZINC000662835400 461388743 /nfs/dbraw/zinc/38/87/43/461388743.db2.gz NNGXDYSMIRYDKH-CEXWTWQISA-N 2 1 335.536 3.197 20 0 EGADMP CCc1ccc(C(C)(C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655721607 461391737 /nfs/dbraw/zinc/39/17/37/461391737.db2.gz QMBJVSPQSZDZGJ-FQEVSTJZSA-N 2 1 330.516 3.370 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]CC3CCSCC3)c2)CCO1 ZINC000638419320 461420196 /nfs/dbraw/zinc/42/01/96/461420196.db2.gz GXGLCIXUKDUFLZ-INIZCTEOSA-N 2 1 334.529 3.140 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]CC3CCSCC3)c2)CCO1 ZINC000638419320 461420204 /nfs/dbraw/zinc/42/02/04/461420204.db2.gz GXGLCIXUKDUFLZ-INIZCTEOSA-N 2 1 334.529 3.140 20 0 EGADMP Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2)cs1 ZINC000641966596 461421531 /nfs/dbraw/zinc/42/15/31/461421531.db2.gz XETCZKFRRCCSGT-KSSFIOAISA-N 2 1 345.512 3.226 20 0 EGADMP [NH3+][C@H](CCC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)CC1CCCCC1 ZINC000663005552 461424720 /nfs/dbraw/zinc/42/47/20/461424720.db2.gz WFDGGYZQSJZGHE-WOJBJXKFSA-N 2 1 349.563 3.303 20 0 EGADMP Fc1ccc2[nH]cc(CCC[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000655763505 461429211 /nfs/dbraw/zinc/42/92/11/461429211.db2.gz OREUCUWTWXODSK-SFHVURJKSA-N 2 1 345.462 3.083 20 0 EGADMP FC1(F)CCCC[C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655769268 461435468 /nfs/dbraw/zinc/43/54/68/461435468.db2.gz GWYZYZMDQUWOGJ-NVXWUHKLSA-N 2 1 330.463 3.435 20 0 EGADMP Cn1cc(CCC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638482130 461449701 /nfs/dbraw/zinc/44/97/01/461449701.db2.gz ZKHLEUHQTYVWCD-TZIWHRDSSA-N 2 1 338.499 3.310 20 0 EGADMP Cn1cc(CCC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638482130 461449707 /nfs/dbraw/zinc/44/97/07/461449707.db2.gz ZKHLEUHQTYVWCD-TZIWHRDSSA-N 2 1 338.499 3.310 20 0 EGADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000655790798 461449900 /nfs/dbraw/zinc/44/99/00/461449900.db2.gz RAKMGMYNPNQTPY-UHFFFAOYSA-N 2 1 348.487 3.491 20 0 EGADMP OCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000666120037 461461357 /nfs/dbraw/zinc/46/13/57/461461357.db2.gz GCIPQTPTHGYRHP-QFBILLFUSA-N 2 1 336.907 3.413 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCc3cccc(Cl)c3C2)CCCO1 ZINC000666132756 461466281 /nfs/dbraw/zinc/46/62/81/461466281.db2.gz IOASEJQTOSHXKP-RDJZCZTQSA-N 2 1 336.907 3.288 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3cccc(Cl)c3C2)CCCO1 ZINC000666132756 461466284 /nfs/dbraw/zinc/46/62/84/461466284.db2.gz IOASEJQTOSHXKP-RDJZCZTQSA-N 2 1 336.907 3.288 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCCN(CC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)CC1 ZINC000659863149 461466428 /nfs/dbraw/zinc/46/64/28/461466428.db2.gz GPSQAPXCXPTHCK-QHAWAJNXSA-N 2 1 335.580 3.408 20 0 EGADMP Cc1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)nc(C)n1 ZINC000659874892 461475513 /nfs/dbraw/zinc/47/55/13/461475513.db2.gz UBBKEPGCECKJFF-UHFFFAOYSA-N 2 1 338.499 3.437 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCCCCO)C1 ZINC000638566416 461487092 /nfs/dbraw/zinc/48/70/92/461487092.db2.gz IAVCVOZJBZNXCV-SFHVURJKSA-N 2 1 334.504 3.048 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCCCCO)C1 ZINC000638566416 461487099 /nfs/dbraw/zinc/48/70/99/461487099.db2.gz IAVCVOZJBZNXCV-SFHVURJKSA-N 2 1 334.504 3.048 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(=O)[nH]c2)cc1 ZINC000631041731 461494364 /nfs/dbraw/zinc/49/43/64/461494364.db2.gz MHFHDEMOXBTFEG-MRXNPFEDSA-N 2 1 325.456 3.451 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000653109144 461504819 /nfs/dbraw/zinc/50/48/19/461504819.db2.gz WCEYVDFUESCXCY-PXNSSMCTSA-N 2 1 343.515 3.067 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[NH2+]CC2)c1 ZINC000653122659 461511684 /nfs/dbraw/zinc/51/16/84/461511684.db2.gz ADTAAPQVFVSWHB-FQEVSTJZSA-N 2 1 345.531 3.315 20 0 EGADMP COCCc1ncc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)s1 ZINC000631057127 461511816 /nfs/dbraw/zinc/51/18/16/461511816.db2.gz XRINJZZFFGHFQF-UHFFFAOYSA-N 2 1 337.533 3.076 20 0 EGADMP O[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638678732 461529992 /nfs/dbraw/zinc/52/99/92/461529992.db2.gz PDBHCGGCOIHLHO-XIGKFDRGSA-N 2 1 328.500 3.495 20 0 EGADMP O[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638678732 461530001 /nfs/dbraw/zinc/53/00/01/461530001.db2.gz PDBHCGGCOIHLHO-XIGKFDRGSA-N 2 1 328.500 3.495 20 0 EGADMP COc1cc(Cl)c(C[NH2+]CCCCn2cc[nH+]c2C)cc1OC ZINC000631080576 461531096 /nfs/dbraw/zinc/53/10/96/461531096.db2.gz RYXFBUVFJBNHRZ-UHFFFAOYSA-N 2 1 337.851 3.432 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000653168779 461534206 /nfs/dbraw/zinc/53/42/06/461534206.db2.gz QFDUKKDHEQPDLD-NZSAHSFTSA-N 2 1 335.536 3.007 20 0 EGADMP CC[N@@H+](CCCNC(=O)C[C@H](C)C1CC[NH2+]CC1)C1CCCCC1 ZINC000653200724 461555190 /nfs/dbraw/zinc/55/51/90/461555190.db2.gz NRCWZOJPCBMKLY-KRWDZBQOSA-N 2 1 337.552 3.173 20 0 EGADMP OC[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638760329 461564268 /nfs/dbraw/zinc/56/42/68/461564268.db2.gz OMIZYFYZWYJGFZ-GZMOKQHVSA-N 2 1 328.500 3.495 20 0 EGADMP OC[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638760329 461564277 /nfs/dbraw/zinc/56/42/77/461564277.db2.gz OMIZYFYZWYJGFZ-GZMOKQHVSA-N 2 1 328.500 3.495 20 0 EGADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638805479 461588997 /nfs/dbraw/zinc/58/89/97/461588997.db2.gz JACBTZNWDCNTTQ-UYAOXDASSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638805479 461589004 /nfs/dbraw/zinc/58/90/04/461589004.db2.gz JACBTZNWDCNTTQ-UYAOXDASSA-N 2 1 343.515 3.106 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nn1C ZINC000666356120 461589344 /nfs/dbraw/zinc/58/93/44/461589344.db2.gz MYEJBMRNZRSVJK-HLAWJBBLSA-N 2 1 338.499 3.119 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nn1C ZINC000666356120 461589352 /nfs/dbraw/zinc/58/93/52/461589352.db2.gz MYEJBMRNZRSVJK-HLAWJBBLSA-N 2 1 338.499 3.119 20 0 EGADMP C[C@@H]1CC[N@@H+](CCN[C@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638873979 461634005 /nfs/dbraw/zinc/63/40/05/461634005.db2.gz OJZUWINAEFDBHG-LMNJBCLMSA-N 2 1 327.516 3.286 20 0 EGADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638873979 461634016 /nfs/dbraw/zinc/63/40/16/461634016.db2.gz OJZUWINAEFDBHG-LMNJBCLMSA-N 2 1 327.516 3.286 20 0 EGADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638873979 461634026 /nfs/dbraw/zinc/63/40/26/461634026.db2.gz OJZUWINAEFDBHG-LMNJBCLMSA-N 2 1 327.516 3.286 20 0 EGADMP Cc1cc(CO)cc(NCC2CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC000663429833 461636743 /nfs/dbraw/zinc/63/67/43/461636743.db2.gz HQADEHCBGIPFFX-UHFFFAOYSA-N 2 1 325.456 3.206 20 0 EGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000660254858 461667013 /nfs/dbraw/zinc/66/70/13/461667013.db2.gz WTIPDHHXMWRUAS-QZTJIDSGSA-N 2 1 332.513 3.323 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000660254858 461667020 /nfs/dbraw/zinc/66/70/20/461667020.db2.gz WTIPDHHXMWRUAS-QZTJIDSGSA-N 2 1 332.513 3.323 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C2(CCC2)C1 ZINC000643296197 461671776 /nfs/dbraw/zinc/67/17/76/461671776.db2.gz GMUQUZZQPJBMKN-IBGZPJMESA-N 2 1 344.499 3.041 20 0 EGADMP C[C@H]1CCC(C)(C)[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000650286485 461684280 /nfs/dbraw/zinc/68/42/80/461684280.db2.gz XYLHUISGOIPNQU-KRWDZBQOSA-N 2 1 343.515 3.162 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000656271628 461697254 /nfs/dbraw/zinc/69/72/54/461697254.db2.gz JKEATRSRHIXHRW-FQEVSTJZSA-N 2 1 332.488 3.161 20 0 EGADMP C[C@H]1Cc2ccccc2N1C1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000653574745 461731274 /nfs/dbraw/zinc/73/12/74/461731274.db2.gz OEVVCRRWDWRLIH-KRWDZBQOSA-N 2 1 338.499 3.268 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647496780 461735204 /nfs/dbraw/zinc/73/52/04/461735204.db2.gz QXKHAFACTXUGSZ-HOCLYGCPSA-N 2 1 332.879 3.144 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647496780 461735211 /nfs/dbraw/zinc/73/52/11/461735211.db2.gz QXKHAFACTXUGSZ-HOCLYGCPSA-N 2 1 332.879 3.144 20 0 EGADMP CC[C@H]1C[N@H+](Cc2cn(-c3ccc(Cl)cc3)nc2C)CC[C@@H]1[NH3+] ZINC000647498105 461736210 /nfs/dbraw/zinc/73/62/10/461736210.db2.gz AFIHXRWBDSMVSR-KSSFIOAISA-N 2 1 332.879 3.393 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2cn(-c3ccc(Cl)cc3)nc2C)CC[C@@H]1[NH3+] ZINC000647498105 461736219 /nfs/dbraw/zinc/73/62/19/461736219.db2.gz AFIHXRWBDSMVSR-KSSFIOAISA-N 2 1 332.879 3.393 20 0 EGADMP COc1cc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000639118753 461739615 /nfs/dbraw/zinc/73/96/15/461739615.db2.gz QNUZPCDYKKQGRO-YLJYHZDGSA-N 2 1 339.483 3.133 20 0 EGADMP CC[NH2+]CCC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000643499099 461747264 /nfs/dbraw/zinc/74/72/64/461747264.db2.gz SWRFQXHTLPGSJC-HZPDHXFCSA-N 2 1 341.293 3.258 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000643522759 461752699 /nfs/dbraw/zinc/75/26/99/461752699.db2.gz CQCDEMDHSRSNAM-IVAOSVALSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000643522759 461752707 /nfs/dbraw/zinc/75/27/07/461752707.db2.gz CQCDEMDHSRSNAM-IVAOSVALSA-N 3 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000643522759 461752712 /nfs/dbraw/zinc/75/27/12/461752712.db2.gz CQCDEMDHSRSNAM-IVAOSVALSA-N 3 1 327.516 3.161 20 0 EGADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647542883 461756965 /nfs/dbraw/zinc/75/69/65/461756965.db2.gz DIOASHUGCVOZSC-HZPDHXFCSA-N 2 1 336.549 3.201 20 0 EGADMP Fc1ccc(-n2nccc2C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647542967 461757645 /nfs/dbraw/zinc/75/76/45/461757645.db2.gz FKWOCUBEIOVNNG-IRXDYDNUSA-N 2 1 342.462 3.223 20 0 EGADMP c1nc([C@@H]2CCCO2)sc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543213 461757726 /nfs/dbraw/zinc/75/77/26/461757726.db2.gz JMJSTTVRWHPOCY-INMHGKMJSA-N 2 1 335.517 3.206 20 0 EGADMP Cc1ncc([C@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)s1 ZINC000643544661 461758315 /nfs/dbraw/zinc/75/83/15/461758315.db2.gz SGHIOPAGWXKJJG-HNNXBMFYSA-N 2 1 344.528 3.096 20 0 EGADMP C[N@@H+](C[C@@]1(C)C[C@@H]1c1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172250 461780317 /nfs/dbraw/zinc/78/03/17/461780317.db2.gz JUWHWYSWKXQWBS-BHDDXSALSA-N 2 1 341.543 3.281 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647789584 461836069 /nfs/dbraw/zinc/83/60/69/461836069.db2.gz HNIXATZITOBOFK-JHMKDJTOSA-N 3 1 341.543 3.396 20 0 EGADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)nnn1-c1ccc(C)cc1 ZINC000647803283 461844876 /nfs/dbraw/zinc/84/48/76/461844876.db2.gz RBTRBSLRRIMXKW-OAHLLOKOSA-N 2 1 335.455 3.194 20 0 EGADMP COCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000647879574 461869060 /nfs/dbraw/zinc/86/90/60/461869060.db2.gz RJQQGJAIRRDAFK-ZIAGYGMSSA-N 2 1 330.394 3.324 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)s2)cn1 ZINC000656783335 461892081 /nfs/dbraw/zinc/89/20/81/461892081.db2.gz PLHNHDZMQIDIJS-MRXNPFEDSA-N 2 1 344.528 3.360 20 0 EGADMP c1ccc(-c2ncc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cn2)cc1 ZINC000656786216 461898059 /nfs/dbraw/zinc/89/80/59/461898059.db2.gz PUHRARMBDZBBLZ-FQEVSTJZSA-N 2 1 336.483 3.355 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000650706277 461899911 /nfs/dbraw/zinc/89/99/11/461899911.db2.gz HTMGGAYPOKNGOQ-HDMKZQKVSA-N 2 1 338.879 3.067 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1Cl ZINC000650706111 461900307 /nfs/dbraw/zinc/90/03/07/461900307.db2.gz DJBXJNPKPAATAU-DAYGRLMNSA-N 2 1 338.879 3.067 20 0 EGADMP CC(C)COc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650706070 461900477 /nfs/dbraw/zinc/90/04/77/461900477.db2.gz CUWXSIGIAUQVQD-QKNQBKEWSA-N 2 1 346.515 3.440 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cnc(C4CCC4)s3)C2)C1 ZINC000650707596 461902125 /nfs/dbraw/zinc/90/21/25/461902125.db2.gz JCVVBBNARAAOOD-ZMSDIMECSA-N 2 1 335.517 3.129 20 0 EGADMP CSc1ccc(NC(=O)[C@H](C)N2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660655148 461905693 /nfs/dbraw/zinc/90/56/93/461905693.db2.gz KOIODGXQJDNFEW-HNAYVOBHSA-N 2 1 347.528 3.153 20 0 EGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000647960639 461909943 /nfs/dbraw/zinc/90/99/43/461909943.db2.gz AYGDBGGZQUCSFC-UNMCSNQZSA-N 2 1 338.495 3.335 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000647960639 461909949 /nfs/dbraw/zinc/90/99/49/461909949.db2.gz AYGDBGGZQUCSFC-UNMCSNQZSA-N 2 1 338.495 3.335 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000647960639 461909953 /nfs/dbraw/zinc/90/99/53/461909953.db2.gz AYGDBGGZQUCSFC-UNMCSNQZSA-N 2 1 338.495 3.335 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000647960639 461909958 /nfs/dbraw/zinc/90/99/58/461909958.db2.gz AYGDBGGZQUCSFC-UNMCSNQZSA-N 2 1 338.495 3.335 20 0 EGADMP CC(C)Oc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650723759 461915724 /nfs/dbraw/zinc/91/57/24/461915724.db2.gz SXTGZEQEHXQZOI-MISYRCLQSA-N 2 1 332.488 3.335 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975085 461917136 /nfs/dbraw/zinc/91/71/36/461917136.db2.gz KENVEPBFIDZIHL-JKSUJKDBSA-N 2 1 349.906 3.299 20 0 EGADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647976147 461919650 /nfs/dbraw/zinc/91/96/50/461919650.db2.gz KSESALXSHUJWOS-GBESFXJTSA-N 2 1 343.515 3.342 20 0 EGADMP Fc1ccccc1-c1noc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647978212 461920320 /nfs/dbraw/zinc/92/03/20/461920320.db2.gz OJICJRRTHLISQG-CABCVRRESA-N 2 1 344.434 3.087 20 0 EGADMP c1ccc(CCOCCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647978271 461920802 /nfs/dbraw/zinc/92/08/02/461920802.db2.gz PDUYKVLTKQZJMO-SFTDATJTSA-N 2 1 330.516 3.347 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660683713 461924072 /nfs/dbraw/zinc/92/40/72/461924072.db2.gz JDQWSLPGBGUWOA-MRXNPFEDSA-N 2 1 337.458 3.351 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660683713 461924075 /nfs/dbraw/zinc/92/40/75/461924075.db2.gz JDQWSLPGBGUWOA-MRXNPFEDSA-N 2 1 337.458 3.351 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660683713 461924082 /nfs/dbraw/zinc/92/40/82/461924082.db2.gz JDQWSLPGBGUWOA-MRXNPFEDSA-N 2 1 337.458 3.351 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660683713 461924088 /nfs/dbraw/zinc/92/40/88/461924088.db2.gz JDQWSLPGBGUWOA-MRXNPFEDSA-N 2 1 337.458 3.351 20 0 EGADMP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](OC(C)C)c2ccccc2)CC1 ZINC000660697963 461928352 /nfs/dbraw/zinc/92/83/52/461928352.db2.gz LTCVRHPJGIDSRS-FQEVSTJZSA-N 2 1 348.531 3.225 20 0 EGADMP Brc1cccc(C[C@H]2CCCC[N@@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647992961 461928755 /nfs/dbraw/zinc/92/87/55/461928755.db2.gz SYCKXRSGOIRFTJ-NVXWUHKLSA-N 2 1 337.305 3.456 20 0 EGADMP Brc1cccc(C[C@H]2CCCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647992961 461928760 /nfs/dbraw/zinc/92/87/60/461928760.db2.gz SYCKXRSGOIRFTJ-NVXWUHKLSA-N 2 1 337.305 3.456 20 0 EGADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC000650742116 461929804 /nfs/dbraw/zinc/92/98/04/461929804.db2.gz RITSHSGFWIITMS-KSSFIOAISA-N 2 1 329.419 3.491 20 0 EGADMP Cc1nc(C)c(Br)c(NC[C@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000664137915 461953827 /nfs/dbraw/zinc/95/38/27/461953827.db2.gz ZIMGEQLZKNFEQO-GFCCVEGCSA-N 2 1 341.297 3.388 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(OC3CCCC3)c1)CCO2 ZINC000648071424 461968229 /nfs/dbraw/zinc/96/82/29/461968229.db2.gz AMZHHURXXWOUIQ-UHFFFAOYSA-N 2 1 344.499 3.305 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(OC3CCCC3)c1)CCO2 ZINC000648071424 461968231 /nfs/dbraw/zinc/96/82/31/461968231.db2.gz AMZHHURXXWOUIQ-UHFFFAOYSA-N 2 1 344.499 3.305 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000639594239 462008128 /nfs/dbraw/zinc/00/81/28/462008128.db2.gz YEQUWCXSCPLSBL-MSOLQXFVSA-N 2 1 326.488 3.233 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000639594239 462008134 /nfs/dbraw/zinc/00/81/34/462008134.db2.gz YEQUWCXSCPLSBL-MSOLQXFVSA-N 2 1 326.488 3.233 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000639594239 462008138 /nfs/dbraw/zinc/00/81/38/462008138.db2.gz YEQUWCXSCPLSBL-MSOLQXFVSA-N 2 1 326.488 3.233 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657293934 462022910 /nfs/dbraw/zinc/02/29/10/462022910.db2.gz XMYPLNAMQGYKPD-PXNSSMCTSA-N 2 1 332.488 3.208 20 0 EGADMP COc1ncc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c2ccccc21 ZINC000639659476 462044083 /nfs/dbraw/zinc/04/40/83/462044083.db2.gz MLOLTVJPCBEZCJ-FQEVSTJZSA-N 2 1 325.456 3.161 20 0 EGADMP COc1ncc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c2ccccc21 ZINC000639659476 462044086 /nfs/dbraw/zinc/04/40/86/462044086.db2.gz MLOLTVJPCBEZCJ-FQEVSTJZSA-N 2 1 325.456 3.161 20 0 EGADMP COc1ncc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c2ccccc21 ZINC000639659476 462044090 /nfs/dbraw/zinc/04/40/90/462044090.db2.gz MLOLTVJPCBEZCJ-FQEVSTJZSA-N 2 1 325.456 3.161 20 0 EGADMP COc1ncc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c2ccccc21 ZINC000639659476 462044093 /nfs/dbraw/zinc/04/40/93/462044093.db2.gz MLOLTVJPCBEZCJ-FQEVSTJZSA-N 2 1 325.456 3.161 20 0 EGADMP COc1ncc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c2ccccc21 ZINC000639659476 462044096 /nfs/dbraw/zinc/04/40/96/462044096.db2.gz MLOLTVJPCBEZCJ-FQEVSTJZSA-N 2 1 325.456 3.161 20 0 EGADMP COc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000639701800 462067594 /nfs/dbraw/zinc/06/75/94/462067594.db2.gz BGVYJVAZDLPUHC-UHFFFAOYSA-N 2 1 331.847 3.456 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnc3n2CCC3)CC1 ZINC000667590011 462161818 /nfs/dbraw/zinc/16/18/18/462161818.db2.gz IWSHDLNHTMKWJY-UHFFFAOYSA-N 2 1 338.499 3.173 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@H](C)COC)cc2)C[C@H]1C ZINC000667664557 462198396 /nfs/dbraw/zinc/19/83/96/462198396.db2.gz NUPSWQGSNFIXDA-LMMKCTJWSA-N 2 1 334.504 3.405 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(O[C@H](C)COC)cc2)C[C@H]1C ZINC000667664557 462198401 /nfs/dbraw/zinc/19/84/01/462198401.db2.gz NUPSWQGSNFIXDA-LMMKCTJWSA-N 2 1 334.504 3.405 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(O[C@H](C)COC)cc2)C[C@H]1C ZINC000667664557 462198404 /nfs/dbraw/zinc/19/84/04/462198404.db2.gz NUPSWQGSNFIXDA-LMMKCTJWSA-N 2 1 334.504 3.405 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000667670999 462204486 /nfs/dbraw/zinc/20/44/86/462204486.db2.gz DYOCVJUYPRQFOJ-QUCCMNQESA-N 2 1 346.515 3.408 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000667670999 462204495 /nfs/dbraw/zinc/20/44/95/462204495.db2.gz DYOCVJUYPRQFOJ-QUCCMNQESA-N 2 1 346.515 3.408 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000667681975 462211443 /nfs/dbraw/zinc/21/14/43/462211443.db2.gz WNLBEAIPMGRATF-YLJYHZDGSA-N 2 1 346.515 3.264 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000667681975 462211447 /nfs/dbraw/zinc/21/14/47/462211447.db2.gz WNLBEAIPMGRATF-YLJYHZDGSA-N 2 1 346.515 3.264 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000667681975 462211451 /nfs/dbraw/zinc/21/14/51/462211451.db2.gz WNLBEAIPMGRATF-YLJYHZDGSA-N 2 1 346.515 3.264 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000667681975 462211455 /nfs/dbraw/zinc/21/14/55/462211455.db2.gz WNLBEAIPMGRATF-YLJYHZDGSA-N 2 1 346.515 3.264 20 0 EGADMP CC[NH+](CC)CCn1ccc2cc(NC(=O)C3([NH+](C)C)CC3)ccc21 ZINC000667689252 462215898 /nfs/dbraw/zinc/21/58/98/462215898.db2.gz SGAGEDVPMZDVEI-UHFFFAOYSA-N 2 1 342.487 3.016 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnc3n2CCC3)CC1 ZINC000667688328 462216381 /nfs/dbraw/zinc/21/63/81/462216381.db2.gz NPXAVAKZOFFJPG-KRWDZBQOSA-N 2 1 330.520 3.306 20 0 EGADMP CC(C)CCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000657752146 462251437 /nfs/dbraw/zinc/25/14/37/462251437.db2.gz RCXIPAHBDSWLLI-FQEVSTJZSA-N 2 1 346.515 3.454 20 0 EGADMP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1)c1ccccc1 ZINC000648784585 462276673 /nfs/dbraw/zinc/27/66/73/462276673.db2.gz XLIQTAFQBKHFHO-YQVWRLOYSA-N 2 1 343.515 3.106 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)[NH+]1CC(C)C1 ZINC000654636134 462319124 /nfs/dbraw/zinc/31/91/24/462319124.db2.gz ZYFOFINYGMQFRV-KRWDZBQOSA-N 2 1 329.488 3.341 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@]2(C)C2CCCCC2)CC1 ZINC000640220825 462319223 /nfs/dbraw/zinc/31/92/23/462319223.db2.gz YHECLGRIHROYMT-FQEVSTJZSA-N 2 1 335.536 3.020 20 0 EGADMP COC[C@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000651758879 462327037 /nfs/dbraw/zinc/32/70/37/462327037.db2.gz QXLGYCIXBUNKPE-VQTJNVASSA-N 2 1 348.531 3.184 20 0 EGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000645471736 462339469 /nfs/dbraw/zinc/33/94/69/462339469.db2.gz AIYJCNCHCPJBHQ-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(CC[C@H]2CCCC[NH+]2C)C1 ZINC000661645427 462346351 /nfs/dbraw/zinc/34/63/51/462346351.db2.gz RBKGYKMYAUMFOH-NHCUHLMSSA-N 2 1 329.532 3.110 20 0 EGADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000661645427 462346355 /nfs/dbraw/zinc/34/63/55/462346355.db2.gz RBKGYKMYAUMFOH-NHCUHLMSSA-N 2 1 329.532 3.110 20 0 EGADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000661645427 462346361 /nfs/dbraw/zinc/34/63/61/462346361.db2.gz RBKGYKMYAUMFOH-NHCUHLMSSA-N 2 1 329.532 3.110 20 0 EGADMP N[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000665240569 462364984 /nfs/dbraw/zinc/36/49/84/462364984.db2.gz NTNMIYKQGLAFIN-LEWJYISDSA-N 2 1 336.483 3.028 20 0 EGADMP CC[N@@H+](CCCNCc1cnc(N2CCCC2)nc1)C1CCCCC1 ZINC000651909677 462377409 /nfs/dbraw/zinc/37/74/09/462377409.db2.gz SKUDGQNOOIOMKT-UHFFFAOYSA-N 2 1 345.535 3.211 20 0 EGADMP C[C@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000658091086 462380555 /nfs/dbraw/zinc/38/05/55/462380555.db2.gz KXSPKZHNVCTROC-DFQSSKMNSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H](N[C@@H]1CC[NH+](C(C)(C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658091086 462380561 /nfs/dbraw/zinc/38/05/61/462380561.db2.gz KXSPKZHNVCTROC-DFQSSKMNSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H](N[C@@H]1CC[NH+](C(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658091086 462380564 /nfs/dbraw/zinc/38/05/64/462380564.db2.gz KXSPKZHNVCTROC-DFQSSKMNSA-N 2 1 329.532 3.359 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000640532130 462431023 /nfs/dbraw/zinc/43/10/23/462431023.db2.gz APSXZLKIHXEFGP-HXUWFJFHSA-N 2 1 343.515 3.204 20 0 EGADMP c1cc(C[NH+]2CCC(N[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)ccn1 ZINC000658227435 462434710 /nfs/dbraw/zinc/43/47/10/462434710.db2.gz BIAPSPNNVFSKGE-FQEVSTJZSA-N 2 1 342.531 3.043 20 0 EGADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000658229006 462435614 /nfs/dbraw/zinc/43/56/14/462435614.db2.gz NXCDEOYWBZPNOM-KURKYZTESA-N 2 1 330.520 3.443 20 0 EGADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000658229006 462435618 /nfs/dbraw/zinc/43/56/18/462435618.db2.gz NXCDEOYWBZPNOM-KURKYZTESA-N 2 1 330.520 3.443 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(F)c(F)c(F)c1 ZINC000132940887 533810074 /nfs/dbraw/zinc/81/00/74/533810074.db2.gz XLIJTZAGHPOSFL-STQMWFEESA-N 2 1 342.405 3.255 20 0 EGADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000154987377 533842009 /nfs/dbraw/zinc/84/20/09/533842009.db2.gz WENZVFFFCWGXPJ-QWRGUYRKSA-N 2 1 336.332 3.341 20 0 EGADMP C[C@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCC[C@H]1O ZINC000159194109 534176371 /nfs/dbraw/zinc/17/63/71/534176371.db2.gz UMCWVXGVVYVOKY-NHCUHLMSSA-N 2 1 348.506 3.363 20 0 EGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181308686 534248519 /nfs/dbraw/zinc/24/85/19/534248519.db2.gz HJIZQVCTTVBQMB-GUTXKFCHSA-N 2 1 325.294 3.452 20 0 EGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181308686 534248522 /nfs/dbraw/zinc/24/85/22/534248522.db2.gz HJIZQVCTTVBQMB-GUTXKFCHSA-N 2 1 325.294 3.452 20 0 EGADMP C/C(=C\c1ccccc1)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000180992065 527535025 /nfs/dbraw/zinc/53/50/25/527535025.db2.gz DPDCCZDWJTVPQA-CAVPUYEOSA-N 2 1 336.479 3.446 20 0 EGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000154791552 527673350 /nfs/dbraw/zinc/67/33/50/527673350.db2.gz NESDPRRNCBNTMT-MDZRGWNJSA-N 2 1 331.504 3.490 20 0 EGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000154791552 527673353 /nfs/dbraw/zinc/67/33/53/527673353.db2.gz NESDPRRNCBNTMT-MDZRGWNJSA-N 2 1 331.504 3.490 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000351695829 535551052 /nfs/dbraw/zinc/55/10/52/535551052.db2.gz PWLDDVRRLRXTOU-SFHVURJKSA-N 2 1 349.519 3.192 20 0 EGADMP Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000091930599 546668744 /nfs/dbraw/zinc/66/87/44/546668744.db2.gz NOXCPJCJKMDFIP-UHFFFAOYSA-N 2 1 335.879 3.251 20 0 EGADMP CC(=O)Nc1cccc(CN[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000155437166 546903071 /nfs/dbraw/zinc/90/30/71/546903071.db2.gz FTFAQTADSKCWOV-IIBYNOLFSA-N 2 1 337.467 3.398 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1cccc(CC)c1 ZINC000191499355 547185744 /nfs/dbraw/zinc/18/57/44/547185744.db2.gz NWSPUQGXWYPPGY-UHFFFAOYSA-N 2 1 342.487 3.359 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1cccc(CC)c1 ZINC000191499355 547185751 /nfs/dbraw/zinc/18/57/51/547185751.db2.gz NWSPUQGXWYPPGY-UHFFFAOYSA-N 2 1 342.487 3.359 20 0 EGADMP CC[NH+]1CCN(c2ccc(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)c(C)c2)CC1 ZINC000245591609 547265792 /nfs/dbraw/zinc/26/57/92/547265792.db2.gz ABNOPERELKBEIO-ROUUACIJSA-N 2 1 330.520 3.032 20 0 EGADMP CC(C)CC[NH+]1CCC(CNC(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000339226317 547571415 /nfs/dbraw/zinc/57/14/15/547571415.db2.gz LLCDXIBFHDITSS-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000362517434 547770439 /nfs/dbraw/zinc/77/04/39/547770439.db2.gz ZSNWHMYIUTWWIQ-LJQANCHMSA-N 2 1 348.849 3.336 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414292446 547855118 /nfs/dbraw/zinc/85/51/18/547855118.db2.gz BCZDKJDSQZBJAM-OWLYRPNTSA-N 2 1 338.442 3.035 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744018 548350278 /nfs/dbraw/zinc/35/02/78/548350278.db2.gz QDFVPHBTFCAFQT-ZNMIVQPWSA-N 2 1 347.459 3.073 20 0 EGADMP C[C@H](CC1CCC1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000675832228 548991610 /nfs/dbraw/zinc/99/16/10/548991610.db2.gz JYNUWJXSHRPSPX-UZLBHIALSA-N 2 1 343.515 3.052 20 0 EGADMP c1ccc(C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)cc1 ZINC000675881179 548996576 /nfs/dbraw/zinc/99/65/76/548996576.db2.gz KJFPJTFHWVWMBK-NHCUHLMSSA-N 2 1 328.500 3.241 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CCOc2ccccc2)cc1 ZINC000676413477 549084945 /nfs/dbraw/zinc/08/49/45/549084945.db2.gz UMHZNTQJVOJZBJ-UHFFFAOYSA-N 2 1 328.456 3.138 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000676530379 549106639 /nfs/dbraw/zinc/10/66/39/549106639.db2.gz ULIAHGNWCCYAIJ-KRWDZBQOSA-N 2 1 349.519 3.219 20 0 EGADMP CC[N@@H+](CCCC1CC[NH+]([C@@H]2CCCOC2)CC1)[C@@H]1CCCOC1 ZINC000677992661 549371842 /nfs/dbraw/zinc/37/18/42/549371842.db2.gz NYQFWPWZAQDZSR-WOJBJXKFSA-N 2 1 338.536 3.159 20 0 EGADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000678802843 549564448 /nfs/dbraw/zinc/56/44/48/549564448.db2.gz CWCRZSPHBPERRY-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP Cc1c(C[NH+]2CCSCC2)cccc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000679143772 549643759 /nfs/dbraw/zinc/64/37/59/549643759.db2.gz ZTEWSSRLFXMCBL-MAUKXSAKSA-N 2 1 333.545 3.438 20 0 EGADMP C[N@H+]1CC[C@@H]2CCN(Cc3cnn(Cc4ccccc4Cl)c3)[C@@H]2C1 ZINC000679364581 549697137 /nfs/dbraw/zinc/69/71/37/549697137.db2.gz HLXCXTKPBDPUBV-VQIMIIECSA-N 2 1 344.890 3.111 20 0 EGADMP C[C@H](C[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1)c1nccs1 ZINC000680335082 549851038 /nfs/dbraw/zinc/85/10/38/549851038.db2.gz LLUGNJSJAYIWHI-OAHLLOKOSA-N 2 1 333.501 3.319 20 0 EGADMP COc1cc(C)c([C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000682070151 550068242 /nfs/dbraw/zinc/06/82/42/550068242.db2.gz KIWQEJMWLVUVOF-QZTJIDSGSA-N 2 1 348.531 3.398 20 0 EGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OCC ZINC000685470761 550421012 /nfs/dbraw/zinc/42/10/12/550421012.db2.gz QAFHBFSFBUBAON-MSOLQXFVSA-N 2 1 332.488 3.400 20 0 EGADMP CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1OCC ZINC000685470761 550421014 /nfs/dbraw/zinc/42/10/14/550421014.db2.gz QAFHBFSFBUBAON-MSOLQXFVSA-N 2 1 332.488 3.400 20 0 EGADMP CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1OCC ZINC000685470761 550421016 /nfs/dbraw/zinc/42/10/16/550421016.db2.gz QAFHBFSFBUBAON-MSOLQXFVSA-N 2 1 332.488 3.400 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470453 550421463 /nfs/dbraw/zinc/42/14/63/550421463.db2.gz QDNWFEIAIFIMOU-XJKSGUPXSA-N 2 1 338.879 3.273 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000729284790 574835320 /nfs/dbraw/zinc/83/53/20/574835320.db2.gz MKHRDNSPTAUEPK-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCCC[NH+]1CCCC1 ZINC000729344005 574844222 /nfs/dbraw/zinc/84/42/22/574844222.db2.gz NTGHGVNJEACNHR-UHFFFAOYSA-N 2 1 340.471 3.063 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000732273852 575252497 /nfs/dbraw/zinc/25/24/97/575252497.db2.gz DRPLUONLBMZRQW-OTWHNJEPSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000732273852 575252498 /nfs/dbraw/zinc/25/24/98/575252498.db2.gz DRPLUONLBMZRQW-OTWHNJEPSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000732273852 575252499 /nfs/dbraw/zinc/25/24/99/575252499.db2.gz DRPLUONLBMZRQW-OTWHNJEPSA-N 2 1 337.552 3.362 20 0 EGADMP c1ccc(CCCOc2cccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000678343283 576167904 /nfs/dbraw/zinc/16/79/04/576167904.db2.gz OZACWFIBWIPYHK-SFTDATJTSA-N 2 1 336.479 3.349 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000383323670 576254058 /nfs/dbraw/zinc/25/40/58/576254058.db2.gz BSFDKMLAHFKYHB-AZUAARDMSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000383323670 576254061 /nfs/dbraw/zinc/25/40/61/576254061.db2.gz BSFDKMLAHFKYHB-AZUAARDMSA-N 2 1 329.532 3.219 20 0 EGADMP Cc1ccc(N2CC[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C2=O)cc1 ZINC000742706992 576793720 /nfs/dbraw/zinc/79/37/20/576793720.db2.gz SFIFJOGLQMUMPS-QZTJIDSGSA-N 2 1 331.504 3.056 20 0 EGADMP Cc1c(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)sc2nc(C)nc(C)c12 ZINC000742733863 576794516 /nfs/dbraw/zinc/79/45/16/576794516.db2.gz HMALJUHWYFLHJK-HNNXBMFYSA-N 2 1 332.517 3.436 20 0 EGADMP C[C@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC[NH2+]1 ZINC000691736560 1298137964 /nfs/dbraw/zinc/13/79/64/1298137964.db2.gz WWMSBSZDJSKPLW-ICSRJNTNSA-N 3 1 327.516 3.115 20 0 EGADMP CC(C)(C)OC(=O)NCCCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000698111823 1298167543 /nfs/dbraw/zinc/16/75/43/1298167543.db2.gz KUCGIPXODUOVBF-IAGOWNOFSA-N 2 1 339.524 3.288 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)nc1 ZINC000840809726 1321153425 /nfs/dbraw/zinc/15/34/25/1321153425.db2.gz NDRQZHQCENMWFF-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccc(OC)cc2)CC1 ZINC000053946056 1291736866 /nfs/dbraw/zinc/73/68/66/1291736866.db2.gz HABIRLMLRPSZCG-UHFFFAOYSA-N 2 1 328.460 3.049 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)ccc2OC)C1 ZINC000069160524 1292235048 /nfs/dbraw/zinc/23/50/48/1292235048.db2.gz AJOLMBHRWGGUAR-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)ccc2OC)C1 ZINC000069160524 1292235056 /nfs/dbraw/zinc/23/50/56/1292235056.db2.gz AJOLMBHRWGGUAR-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP CO[C@H](C)C[NH+](C)Cc1cc(Cl)cc(C[N@H+](C)C[C@@H](C)OC)c1 ZINC000829767619 1292616787 /nfs/dbraw/zinc/61/67/87/1292616787.db2.gz AEZDYCGEAUMRFQ-HUUCEWRRSA-N 2 1 342.911 3.273 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000081584679 1292666221 /nfs/dbraw/zinc/66/62/21/1292666221.db2.gz RYVVOLFTUNKSQA-IBGZPJMESA-N 2 1 343.515 3.086 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000081584679 1292666228 /nfs/dbraw/zinc/66/62/28/1292666228.db2.gz RYVVOLFTUNKSQA-IBGZPJMESA-N 2 1 343.515 3.086 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000081584679 1292666240 /nfs/dbraw/zinc/66/62/40/1292666240.db2.gz RYVVOLFTUNKSQA-IBGZPJMESA-N 2 1 343.515 3.086 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000081584679 1292666251 /nfs/dbraw/zinc/66/62/51/1292666251.db2.gz RYVVOLFTUNKSQA-IBGZPJMESA-N 2 1 343.515 3.086 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)cc(=O)oc2c1 ZINC000081632476 1292668584 /nfs/dbraw/zinc/66/85/84/1292668584.db2.gz PXEBLFCZMYRRCY-KRWDZBQOSA-N 2 1 340.467 3.265 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)cc(=O)oc2c1 ZINC000081632476 1292668597 /nfs/dbraw/zinc/66/85/97/1292668597.db2.gz PXEBLFCZMYRRCY-KRWDZBQOSA-N 2 1 340.467 3.265 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)cc(=O)oc2c1 ZINC000081632476 1292668609 /nfs/dbraw/zinc/66/86/09/1292668609.db2.gz PXEBLFCZMYRRCY-KRWDZBQOSA-N 2 1 340.467 3.265 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)cc(=O)oc2c1 ZINC000081632476 1292668622 /nfs/dbraw/zinc/66/86/22/1292668622.db2.gz PXEBLFCZMYRRCY-KRWDZBQOSA-N 2 1 340.467 3.265 20 0 EGADMP CN(C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000089426633 1292769324 /nfs/dbraw/zinc/76/93/24/1292769324.db2.gz MLLCYQDUGATIDF-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP CN(C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000089426633 1292769330 /nfs/dbraw/zinc/76/93/30/1292769330.db2.gz MLLCYQDUGATIDF-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP CN(C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000089426633 1292769339 /nfs/dbraw/zinc/76/93/39/1292769339.db2.gz MLLCYQDUGATIDF-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP CC(C)CC[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)(C)C ZINC000134330096 1293770816 /nfs/dbraw/zinc/77/08/16/1293770816.db2.gz RFVITVFXSJVKMI-GOSISDBHSA-N 2 1 347.551 3.169 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1(CC)CC ZINC000181851312 1294996669 /nfs/dbraw/zinc/99/66/69/1294996669.db2.gz IEUQDYKTELVHBC-RBUKOAKNSA-N 2 1 340.552 3.449 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1C[NH+]1CCCCC1 ZINC000182191561 1295026230 /nfs/dbraw/zinc/02/62/30/1295026230.db2.gz QWBKPTXFCNOYNB-QGZVFWFLSA-N 3 1 333.520 3.283 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCCCC[NH3+])C1 ZINC000237553776 1296249885 /nfs/dbraw/zinc/24/98/85/1296249885.db2.gz QYGHBPDOMNKDSK-QGZVFWFLSA-N 2 1 331.504 3.054 20 0 EGADMP FC(F)(F)Oc1ccccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246597867 1296362455 /nfs/dbraw/zinc/36/24/55/1296362455.db2.gz ZYPQUBDBLNGKMF-GJZGRUSLSA-N 2 1 328.378 3.344 20 0 EGADMP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261605024 1296594883 /nfs/dbraw/zinc/59/48/83/1296594883.db2.gz CSVUPHKXXPFNQT-TZMCWYRMSA-N 2 1 328.287 3.034 20 0 EGADMP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261605024 1296594890 /nfs/dbraw/zinc/59/48/90/1296594890.db2.gz CSVUPHKXXPFNQT-TZMCWYRMSA-N 2 1 328.287 3.034 20 0 EGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3o2)CC1 ZINC000305185984 1296992965 /nfs/dbraw/zinc/99/29/65/1296992965.db2.gz XEFNVXOURGVDOX-RBUKOAKNSA-N 2 1 328.456 3.290 20 0 EGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+]Cc2cccc3ncccc23)c1 ZINC000873008980 1297220477 /nfs/dbraw/zinc/22/04/77/1297220477.db2.gz DPTRTIWCQIHADK-UHFFFAOYSA-N 2 1 347.462 3.357 20 0 EGADMP Fc1cccc(O[C@H]2CC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)c1 ZINC000873207794 1297351580 /nfs/dbraw/zinc/35/15/80/1297351580.db2.gz CTSHKSBLLDJLEC-INIZCTEOSA-N 2 1 332.444 3.186 20 0 EGADMP COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873207444 1297352604 /nfs/dbraw/zinc/35/26/04/1297352604.db2.gz BVCOXYNNELEGHU-KRWDZBQOSA-N 2 1 330.497 3.083 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)cc1 ZINC000873263531 1297396908 /nfs/dbraw/zinc/39/69/08/1297396908.db2.gz JBHYAFZUMQZTDK-VAPOBVKCSA-N 3 1 339.527 3.302 20 0 EGADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)cc1 ZINC000873263531 1297396922 /nfs/dbraw/zinc/39/69/22/1297396922.db2.gz JBHYAFZUMQZTDK-VAPOBVKCSA-N 2 1 339.527 3.302 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000355859079 1297460685 /nfs/dbraw/zinc/46/06/85/1297460685.db2.gz VYOWXUYYXDUNFM-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000355859079 1297460689 /nfs/dbraw/zinc/46/06/89/1297460689.db2.gz VYOWXUYYXDUNFM-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000355859079 1297460692 /nfs/dbraw/zinc/46/06/92/1297460692.db2.gz VYOWXUYYXDUNFM-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H]([NH3+])c1ccc(NC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000386282650 1297589365 /nfs/dbraw/zinc/58/93/65/1297589365.db2.gz BFFVJYWWGAYVQN-HZPDHXFCSA-N 2 1 340.471 3.348 20 0 EGADMP CO[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C12CCC2 ZINC000453071483 1297889451 /nfs/dbraw/zinc/88/94/51/1297889451.db2.gz ONVFGSOKGFTNNI-MSOLQXFVSA-N 2 1 329.419 3.367 20 0 EGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000687673262 1298119943 /nfs/dbraw/zinc/11/99/43/1298119943.db2.gz SBRDPTRUIIDMON-LUKYLMHMSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000687673262 1298119948 /nfs/dbraw/zinc/11/99/48/1298119948.db2.gz SBRDPTRUIIDMON-LUKYLMHMSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000693912853 1298153296 /nfs/dbraw/zinc/15/32/96/1298153296.db2.gz SHKFZBPIECOPHD-XJKSGUPXSA-N 2 1 325.294 3.454 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOC(F)(F)F ZINC000713415582 1298269908 /nfs/dbraw/zinc/26/99/08/1298269908.db2.gz KRHMDXBPTGYLTE-ZBFHGGJFSA-N 2 1 330.394 3.413 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOC(F)(F)F ZINC000713415582 1298269919 /nfs/dbraw/zinc/26/99/19/1298269919.db2.gz KRHMDXBPTGYLTE-ZBFHGGJFSA-N 2 1 330.394 3.413 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000715036113 1298277565 /nfs/dbraw/zinc/27/75/65/1298277565.db2.gz CHJHWMVDBRTJJH-NHCUHLMSSA-N 3 1 329.532 3.492 20 0 EGADMP [NH3+]CCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715036113 1298277572 /nfs/dbraw/zinc/27/75/72/1298277572.db2.gz CHJHWMVDBRTJJH-NHCUHLMSSA-N 3 1 329.532 3.492 20 0 EGADMP [NH3+]CCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715036113 1298277579 /nfs/dbraw/zinc/27/75/79/1298277579.db2.gz CHJHWMVDBRTJJH-NHCUHLMSSA-N 3 1 329.532 3.492 20 0 EGADMP [NH3+]CCCCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715036113 1298277585 /nfs/dbraw/zinc/27/75/85/1298277585.db2.gz CHJHWMVDBRTJJH-NHCUHLMSSA-N 2 1 329.532 3.492 20 0 EGADMP [NH3+]CCCCCCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715036113 1298277594 /nfs/dbraw/zinc/27/75/94/1298277594.db2.gz CHJHWMVDBRTJJH-NHCUHLMSSA-N 2 1 329.532 3.492 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000746178313 1298548509 /nfs/dbraw/zinc/54/85/09/1298548509.db2.gz MTKUEGWNWJONCX-CALCHBBNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)CN1CCCC1 ZINC000746660183 1298635499 /nfs/dbraw/zinc/63/54/99/1298635499.db2.gz VAISUJNIKDIENY-QGZVFWFLSA-N 2 1 344.421 3.373 20 0 EGADMP CC(C)[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)CN1CCCC1 ZINC000746660183 1298635514 /nfs/dbraw/zinc/63/55/14/1298635514.db2.gz VAISUJNIKDIENY-QGZVFWFLSA-N 2 1 344.421 3.373 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H]3CC3(Cl)Cl)c2)CCO1 ZINC000876970804 1299095874 /nfs/dbraw/zinc/09/58/74/1299095874.db2.gz ZAOSWKBUBVNFBX-CJNGLKHVSA-N 2 1 343.298 3.191 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H]3CC3(Cl)Cl)c2)CCO1 ZINC000876970804 1299095885 /nfs/dbraw/zinc/09/58/85/1299095885.db2.gz ZAOSWKBUBVNFBX-CJNGLKHVSA-N 2 1 343.298 3.191 20 0 EGADMP CC(C)O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000877031356 1299121976 /nfs/dbraw/zinc/12/19/76/1299121976.db2.gz QEISOMZJOXKXFJ-NHCUHLMSSA-N 2 1 346.515 3.386 20 0 EGADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000877136583 1299175636 /nfs/dbraw/zinc/17/56/36/1299175636.db2.gz IHTHZIHOOVQWCB-XUVXKRRUSA-N 2 1 335.451 3.104 20 0 EGADMP CC1(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)OCCO1 ZINC000877345737 1299253542 /nfs/dbraw/zinc/25/35/42/1299253542.db2.gz AWGVIIZLWHSFKZ-PKOBYXMFSA-N 2 1 330.472 3.097 20 0 EGADMP CC1(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)OCCO1 ZINC000877345737 1299253554 /nfs/dbraw/zinc/25/35/54/1299253554.db2.gz AWGVIIZLWHSFKZ-PKOBYXMFSA-N 2 1 330.472 3.097 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC2(CNC(=O)OC(C)(C)C)CCC2)CC1 ZINC000877479916 1299332300 /nfs/dbraw/zinc/33/23/00/1299332300.db2.gz YKBIPEINIWHNII-MRXNPFEDSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccnc3Br)C2)CC1 ZINC000877528814 1299372918 /nfs/dbraw/zinc/37/29/18/1299372918.db2.gz LIRDBIUZCSIALL-AWEZNQCLSA-N 2 1 338.293 3.008 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(OCc4ccccn4)c3)CC[C@H]21 ZINC000877744404 1299521932 /nfs/dbraw/zinc/52/19/32/1299521932.db2.gz SMGZDJAPHKYOSD-GHTZIAJQSA-N 2 1 337.467 3.187 20 0 EGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(OCc4ccccn4)c3)CC[C@H]21 ZINC000877744404 1299521937 /nfs/dbraw/zinc/52/19/37/1299521937.db2.gz SMGZDJAPHKYOSD-GHTZIAJQSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(OCc4ccccn4)c3)CC[C@H]21 ZINC000877744404 1299521943 /nfs/dbraw/zinc/52/19/43/1299521943.db2.gz SMGZDJAPHKYOSD-GHTZIAJQSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(OCc4ccccn4)c3)CC[C@H]21 ZINC000877744404 1299521949 /nfs/dbraw/zinc/52/19/49/1299521949.db2.gz SMGZDJAPHKYOSD-GHTZIAJQSA-N 2 1 337.467 3.187 20 0 EGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000878167716 1299791848 /nfs/dbraw/zinc/79/18/48/1299791848.db2.gz YRTZXLNZBDTFIJ-IEBWSBKVSA-N 2 1 331.504 3.010 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3ccc(-c4ccc(F)cc4)n3)C2)CC1 ZINC000755782243 1300396932 /nfs/dbraw/zinc/39/69/32/1300396932.db2.gz YSYOPHDIRUSCAD-GOSISDBHSA-N 2 1 342.462 3.310 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3ccc(-c4ccc(F)cc4)n3)C2)CC1 ZINC000755782254 1300397678 /nfs/dbraw/zinc/39/76/78/1300397678.db2.gz YSYOPHDIRUSCAD-SFHVURJKSA-N 2 1 342.462 3.310 20 0 EGADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000756096590 1300438712 /nfs/dbraw/zinc/43/87/12/1300438712.db2.gz AXVRSWQIZCUJBS-JKSUJKDBSA-N 2 1 346.475 3.145 20 0 EGADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000756096590 1300438715 /nfs/dbraw/zinc/43/87/15/1300438715.db2.gz AXVRSWQIZCUJBS-JKSUJKDBSA-N 2 1 346.475 3.145 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000756105257 1300439984 /nfs/dbraw/zinc/43/99/84/1300439984.db2.gz CXDULRJQRDCDAI-MRXNPFEDSA-N 2 1 348.491 3.250 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000756105257 1300439991 /nfs/dbraw/zinc/43/99/91/1300439991.db2.gz CXDULRJQRDCDAI-MRXNPFEDSA-N 2 1 348.491 3.250 20 0 EGADMP C[N@H+]1CC[C@H]2CN(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@H]21 ZINC000879568888 1300607257 /nfs/dbraw/zinc/60/72/57/1300607257.db2.gz FICZXNNFGCNVES-PZJWPPBQSA-N 2 1 349.478 3.465 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@H]21 ZINC000879568888 1300607261 /nfs/dbraw/zinc/60/72/61/1300607261.db2.gz FICZXNNFGCNVES-PZJWPPBQSA-N 2 1 349.478 3.465 20 0 EGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@H]21 ZINC000879568888 1300607264 /nfs/dbraw/zinc/60/72/64/1300607264.db2.gz FICZXNNFGCNVES-PZJWPPBQSA-N 2 1 349.478 3.465 20 0 EGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@H]21 ZINC000879568888 1300607267 /nfs/dbraw/zinc/60/72/67/1300607267.db2.gz FICZXNNFGCNVES-PZJWPPBQSA-N 2 1 349.478 3.465 20 0 EGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC[C@H]21 ZINC000879568888 1300607269 /nfs/dbraw/zinc/60/72/69/1300607269.db2.gz FICZXNNFGCNVES-PZJWPPBQSA-N 2 1 349.478 3.465 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cccc4ccccc43)CC[C@H]21 ZINC000879575428 1300611821 /nfs/dbraw/zinc/61/18/21/1300611821.db2.gz KUKYFOWWFWQRNM-YLJYHZDGSA-N 2 1 337.467 3.194 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cccc4ccccc43)CC[C@H]21 ZINC000879575428 1300611829 /nfs/dbraw/zinc/61/18/29/1300611829.db2.gz KUKYFOWWFWQRNM-YLJYHZDGSA-N 2 1 337.467 3.194 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3cccc4ccccc43)CC[C@H]21 ZINC000879575428 1300611832 /nfs/dbraw/zinc/61/18/32/1300611832.db2.gz KUKYFOWWFWQRNM-YLJYHZDGSA-N 2 1 337.467 3.194 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3cccc4ccccc43)CC[C@H]21 ZINC000879575428 1300611839 /nfs/dbraw/zinc/61/18/39/1300611839.db2.gz KUKYFOWWFWQRNM-YLJYHZDGSA-N 2 1 337.467 3.194 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000759965057 1301198551 /nfs/dbraw/zinc/19/85/51/1301198551.db2.gz GOBWEUWVJFZDIQ-GOSISDBHSA-N 2 1 340.467 3.198 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000759965057 1301198556 /nfs/dbraw/zinc/19/85/56/1301198556.db2.gz GOBWEUWVJFZDIQ-GOSISDBHSA-N 2 1 340.467 3.198 20 0 EGADMP CC(C)c1ccc(C[C@@H]2CC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000763961456 1301990223 /nfs/dbraw/zinc/99/02/23/1301990223.db2.gz FRGDLGIZSMSCKZ-PZJWPPBQSA-N 2 1 330.516 3.131 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cn1cccn1 ZINC000766166927 1302402858 /nfs/dbraw/zinc/40/28/58/1302402858.db2.gz XSFIEHWQNXPOJE-GJYPPUQNSA-N 2 1 342.487 3.073 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cn1cccn1 ZINC000766166927 1302402863 /nfs/dbraw/zinc/40/28/63/1302402863.db2.gz XSFIEHWQNXPOJE-GJYPPUQNSA-N 2 1 342.487 3.073 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC2(COC2)CC1 ZINC000883378190 1302421687 /nfs/dbraw/zinc/42/16/87/1302421687.db2.gz BTANLSQFSBTXQI-XLIONFOSSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC2(COC2)CC1 ZINC000883378190 1302421695 /nfs/dbraw/zinc/42/16/95/1302421695.db2.gz BTANLSQFSBTXQI-XLIONFOSSA-N 2 1 328.500 3.446 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C[C@@H]1C(F)(F)F ZINC000883441055 1302444582 /nfs/dbraw/zinc/44/45/82/1302444582.db2.gz GNRDQHPHXWFNPT-QZWWFDLISA-N 2 1 342.405 3.366 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C[C@@H]1C(F)(F)F ZINC000883441055 1302444593 /nfs/dbraw/zinc/44/45/93/1302444593.db2.gz GNRDQHPHXWFNPT-QZWWFDLISA-N 2 1 342.405 3.366 20 0 EGADMP FC(F)(F)COc1ccc(C[N@@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000883458800 1302452913 /nfs/dbraw/zinc/45/29/13/1302452913.db2.gz XPGDJQSKKFYFLI-UHFFFAOYSA-N 2 1 328.378 3.346 20 0 EGADMP FC(F)(F)COc1ccc(C[N@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000883458800 1302452916 /nfs/dbraw/zinc/45/29/16/1302452916.db2.gz XPGDJQSKKFYFLI-UHFFFAOYSA-N 2 1 328.378 3.346 20 0 EGADMP c1cc(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000883462613 1302453358 /nfs/dbraw/zinc/45/33/58/1302453358.db2.gz VNQZAGLCKLGISP-LJQANCHMSA-N 2 1 328.500 3.361 20 0 EGADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000884213184 1302772855 /nfs/dbraw/zinc/77/28/55/1302772855.db2.gz VIIXSVGYCODUOP-YJBOKZPZSA-N 2 1 347.503 3.028 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2Cl)cc1 ZINC000768168922 1302841701 /nfs/dbraw/zinc/84/17/01/1302841701.db2.gz AAXSSQQMENGYQP-UHFFFAOYSA-N 2 1 345.874 3.472 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2Cl)cc1 ZINC000768168922 1302841711 /nfs/dbraw/zinc/84/17/11/1302841711.db2.gz AAXSSQQMENGYQP-UHFFFAOYSA-N 2 1 345.874 3.472 20 0 EGADMP COc1ccc(OCC[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000768197403 1302854487 /nfs/dbraw/zinc/85/44/87/1302854487.db2.gz IYDIGMQQTRREDD-UHFFFAOYSA-N 2 1 328.456 3.268 20 0 EGADMP Cc1c(C[N@@H+](C)CC2CC[NH+](C)CC2)sc2nc(C)nc(C)c12 ZINC000769331602 1303093362 /nfs/dbraw/zinc/09/33/62/1303093362.db2.gz SXFSDIFAMQJPHZ-UHFFFAOYSA-N 2 1 332.517 3.390 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc3cccc(OC)c3o2)C1 ZINC000769514332 1303133167 /nfs/dbraw/zinc/13/31/67/1303133167.db2.gz JJXWAMCWWYFDPK-KRWDZBQOSA-N 2 1 346.471 3.374 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)[nH+]c1C ZINC000886670822 1303550249 /nfs/dbraw/zinc/55/02/49/1303550249.db2.gz WVRYLYSQNLXBGR-GRDNDAEWSA-N 2 1 346.519 3.384 20 0 EGADMP CSC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCCCC1 ZINC000886741039 1303582364 /nfs/dbraw/zinc/58/23/64/1303582364.db2.gz RXKOAGSEOUSZNM-QGZVFWFLSA-N 2 1 326.550 3.285 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000886870331 1303620974 /nfs/dbraw/zinc/62/09/74/1303620974.db2.gz WFZANVMUGSMDDV-GOSISDBHSA-N 2 1 335.879 3.134 20 0 EGADMP C[C@@H](Cc1cnccn1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000774160713 1303782184 /nfs/dbraw/zinc/78/21/84/1303782184.db2.gz ZRINQQAHYSGLMV-YRLHULLVSA-N 2 1 336.483 3.193 20 0 EGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000774976089 1303884739 /nfs/dbraw/zinc/88/47/39/1303884739.db2.gz OXADCPIFCMEZRL-OAHLLOKOSA-N 2 1 327.513 3.001 20 0 EGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000774976089 1303884731 /nfs/dbraw/zinc/88/47/31/1303884731.db2.gz OXADCPIFCMEZRL-OAHLLOKOSA-N 2 1 327.513 3.001 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cn1 ZINC000775376121 1303949059 /nfs/dbraw/zinc/94/90/59/1303949059.db2.gz ONSHPYQCKBCFRD-INMHGKMJSA-N 2 1 346.525 3.045 20 0 EGADMP FC(F)(F)Cc1ncc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000891847218 1305187107 /nfs/dbraw/zinc/18/71/07/1305187107.db2.gz WPQSFORHYLJRRR-UHFFFAOYSA-N 2 1 330.379 3.351 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000785434051 1305351552 /nfs/dbraw/zinc/35/15/52/1305351552.db2.gz OJJBLMBVLVVSGN-OXQOHEQNSA-N 2 1 342.487 3.088 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCS(=O)CC1 ZINC000892580559 1305451982 /nfs/dbraw/zinc/45/19/82/1305451982.db2.gz MJVUOWGUNVENTM-VHJYZYJHSA-N 2 1 334.529 3.062 20 0 EGADMP COc1cccc(-c2csc(C[NH2+]CCn3cc[nH+]c3C)n2)c1 ZINC000892756293 1305541789 /nfs/dbraw/zinc/54/17/89/1305541789.db2.gz AGPZPYCOJZBOBK-UHFFFAOYSA-N 2 1 328.441 3.113 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000893018501 1305660281 /nfs/dbraw/zinc/66/02/81/1305660281.db2.gz INRVFMDHXQYAGZ-UHFFFAOYSA-N 3 1 341.499 3.343 20 0 EGADMP CN(Cc1ccco1)Cc1ccccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000893018501 1305660286 /nfs/dbraw/zinc/66/02/86/1305660286.db2.gz INRVFMDHXQYAGZ-UHFFFAOYSA-N 2 1 341.499 3.343 20 0 EGADMP CC[C@H]1Oc2cc([C@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ccc2NC1=O ZINC000893356150 1305847050 /nfs/dbraw/zinc/84/70/50/1305847050.db2.gz KAZKIXXWSZBTOH-ZEIKAYMKSA-N 2 1 343.471 3.072 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000788479632 1305952906 /nfs/dbraw/zinc/95/29/06/1305952906.db2.gz XVPZMZPWZVDVCD-DLBZAZTESA-N 2 1 343.298 3.225 20 0 EGADMP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000894180369 1306264369 /nfs/dbraw/zinc/26/43/69/1306264369.db2.gz CDDLPFFUBXSHFU-GFCCVEGCSA-N 2 1 334.851 3.382 20 0 EGADMP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000894806659 1309081202 /nfs/dbraw/zinc/08/12/02/1309081202.db2.gz IDJYEBXTRVJECU-UHFFFAOYSA-N 2 1 344.425 3.130 20 0 EGADMP C[C@H](CC[NH2+]CC1=Cc2cc(Br)ccc2OC1)[NH+](C)C ZINC000895296657 1309274494 /nfs/dbraw/zinc/27/44/94/1309274494.db2.gz AQRWEFZCTQAMNU-GFCCVEGCSA-N 2 1 339.277 3.155 20 0 EGADMP O=C(OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c[nH+]cn2c1 ZINC000793150571 1309304591 /nfs/dbraw/zinc/30/45/91/1309304591.db2.gz YHSRHXJDZLOFNI-SFHVURJKSA-N 2 1 349.434 3.403 20 0 EGADMP c1cncc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CCC2)c1 ZINC000795794596 1309836208 /nfs/dbraw/zinc/83/62/08/1309836208.db2.gz JWSRIKRKIRXTKS-WOJBJXKFSA-N 2 1 329.488 3.156 20 0 EGADMP C[N@@H+](CCC[NH2+]CC1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000795888474 1309855172 /nfs/dbraw/zinc/85/51/72/1309855172.db2.gz CDGWEBNZMMSKQH-UHFFFAOYSA-N 2 1 332.488 3.031 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)CC1 ZINC000798957078 1310462821 /nfs/dbraw/zinc/46/28/21/1310462821.db2.gz MBCKNJJTKKEZJC-UHFFFAOYSA-N 2 1 330.501 3.446 20 0 EGADMP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000899204733 1310978563 /nfs/dbraw/zinc/97/85/63/1310978563.db2.gz FYMZHIWKHGRPLO-LJQANCHMSA-N 2 1 347.547 3.260 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023761459 1319905540 /nfs/dbraw/zinc/90/55/40/1319905540.db2.gz AHWOSDGCESYRHN-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001023761459 1319905545 /nfs/dbraw/zinc/90/55/45/1319905545.db2.gz AHWOSDGCESYRHN-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001023761459 1319905548 /nfs/dbraw/zinc/90/55/48/1319905548.db2.gz AHWOSDGCESYRHN-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)sc2nc(C)nc(C)c12 ZINC000839183057 1320888723 /nfs/dbraw/zinc/88/87/23/1320888723.db2.gz SNGZBQJTTQXZBP-HNNXBMFYSA-N 2 1 332.517 3.438 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857262058 1328525565 /nfs/dbraw/zinc/52/55/65/1328525565.db2.gz AQPRYIYQANBGTL-PXNSSMCTSA-N 2 1 345.531 3.346 20 0 EGADMP CCC[NH+](CC)C[C@H](C)NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857262058 1328525566 /nfs/dbraw/zinc/52/55/66/1328525566.db2.gz AQPRYIYQANBGTL-PXNSSMCTSA-N 2 1 345.531 3.346 20 0 EGADMP CCC[NH+](CC)C[C@H](C)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857262058 1328525567 /nfs/dbraw/zinc/52/55/67/1328525567.db2.gz AQPRYIYQANBGTL-PXNSSMCTSA-N 2 1 345.531 3.346 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC(CC)([NH+]2CCC2)CC1)c1ccccc1 ZINC000899561935 1317091022 /nfs/dbraw/zinc/09/10/22/1317091022.db2.gz LIZHLHKYMMHSRV-LJQANCHMSA-N 2 1 343.515 3.156 20 0 EGADMP C[N@@H+]1C[C@H]2CN(c3cc[nH+]c4cc(OC(F)(F)F)ccc43)C[C@H]2C1 ZINC000899877810 1317194030 /nfs/dbraw/zinc/19/40/30/1317194030.db2.gz WTXWVOSCMGLGTB-TXEJJXNPSA-N 2 1 337.345 3.131 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC001019386285 1317209180 /nfs/dbraw/zinc/20/91/80/1317209180.db2.gz LKNJQKICJSSBDR-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001019468230 1317263289 /nfs/dbraw/zinc/26/32/89/1317263289.db2.gz LSCKRUDBVYVXRG-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC000957545470 1317440941 /nfs/dbraw/zinc/44/09/41/1317440941.db2.gz OBIOQOVUKJLNSU-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957635721 1317509689 /nfs/dbraw/zinc/50/96/89/1317509689.db2.gz HWELCVLVQNGFAU-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](CC(C)C)CC2 ZINC000957647772 1317520200 /nfs/dbraw/zinc/52/02/00/1317520200.db2.gz VPSFXOVEYHLPKW-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP COc1ccc(C[C@H]([NH2+]CC2([NH3+])CC2)c2ccc(OC)cc2)cc1 ZINC000902413123 1317576052 /nfs/dbraw/zinc/57/60/52/1317576052.db2.gz IWKCACZKBQWNQS-IBGZPJMESA-N 2 1 326.440 3.069 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000807710142 1317579637 /nfs/dbraw/zinc/57/96/37/1317579637.db2.gz YTCUWWVCIHNBDJ-UHFFFAOYSA-N 2 1 346.519 3.229 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1)C(C)C ZINC000957720541 1317588436 /nfs/dbraw/zinc/58/84/36/1317588436.db2.gz QRAKMVFQXKCWKC-LJQANCHMSA-N 2 1 337.552 3.218 20 0 EGADMP CC[NH+](CC1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1)C(C)C ZINC000957720541 1317588439 /nfs/dbraw/zinc/58/84/39/1317588439.db2.gz QRAKMVFQXKCWKC-LJQANCHMSA-N 2 1 337.552 3.218 20 0 EGADMP CC[NH+](CC1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1)C(C)C ZINC000957720541 1317588446 /nfs/dbraw/zinc/58/84/46/1317588446.db2.gz QRAKMVFQXKCWKC-LJQANCHMSA-N 2 1 337.552 3.218 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001020214180 1317596419 /nfs/dbraw/zinc/59/64/19/1317596419.db2.gz LCUDCTCODMVOHK-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP CC[N@@H+](CC1CCCC1)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000957772881 1317636672 /nfs/dbraw/zinc/63/66/72/1317636672.db2.gz RKRUFGBQQOPBKE-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CC1CCCC1)CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000957772881 1317636679 /nfs/dbraw/zinc/63/66/79/1317636679.db2.gz RKRUFGBQQOPBKE-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CC1CCCC1)CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000957772881 1317636689 /nfs/dbraw/zinc/63/66/89/1317636689.db2.gz RKRUFGBQQOPBKE-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CCCN1C(=O)OC(C)(C)C ZINC000903015549 1317640257 /nfs/dbraw/zinc/64/02/57/1317640257.db2.gz FZUQDTRAGGAXON-NVXWUHKLSA-N 2 1 339.524 3.238 20 0 EGADMP C[C@@H]1[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CCCN1C(=O)OC(C)(C)C ZINC000903015553 1317641021 /nfs/dbraw/zinc/64/10/21/1317641021.db2.gz FZUQDTRAGGAXON-WBVHZDCISA-N 2 1 339.524 3.238 20 0 EGADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC000957779795 1317643246 /nfs/dbraw/zinc/64/32/46/1317643246.db2.gz ZOBXPBACUAPWRA-AZUAARDMSA-N 2 1 343.515 3.075 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC000957779795 1317643251 /nfs/dbraw/zinc/64/32/51/1317643251.db2.gz ZOBXPBACUAPWRA-AZUAARDMSA-N 2 1 343.515 3.075 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[NH+](CCCC2CCC2)CC1)[NH+]1CCCCC1 ZINC000957786473 1317644584 /nfs/dbraw/zinc/64/45/84/1317644584.db2.gz WDKUANZOQARWEB-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[NH+]2CCCC2)o1 ZINC000903086588 1317650781 /nfs/dbraw/zinc/65/07/81/1317650781.db2.gz PVQAODIEZZPMJG-ZNBHLAFESA-N 2 1 343.515 3.472 20 0 EGADMP CC(C)Oc1cccc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903098294 1317651737 /nfs/dbraw/zinc/65/17/37/1317651737.db2.gz MSZUMMAHLLOKCS-ZJVRTDGDSA-N 2 1 344.499 3.255 20 0 EGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C2 ZINC000903118437 1317657153 /nfs/dbraw/zinc/65/71/53/1317657153.db2.gz OWELPJNXNCWRCH-LDFOPSEGSA-N 2 1 336.907 3.470 20 0 EGADMP CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1 ZINC000903117900 1317657470 /nfs/dbraw/zinc/65/74/70/1317657470.db2.gz NLBAEXUCJXIYFL-SHQCPXRQSA-N 2 1 330.516 3.379 20 0 EGADMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c(-c2ccccc2)n1 ZINC000903148205 1317662670 /nfs/dbraw/zinc/66/26/70/1317662670.db2.gz QVKAMSDVPBRVQQ-CTXDPNEZSA-N 2 1 336.483 3.335 20 0 EGADMP C[C@@H](O)[C@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccccc1 ZINC000903160409 1317664702 /nfs/dbraw/zinc/66/47/02/1317664702.db2.gz LRBPYIYCOIRPFM-FJXZYEQHSA-N 2 1 342.527 3.364 20 0 EGADMP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H](O)c1ccccc1 ZINC000903159419 1317665233 /nfs/dbraw/zinc/66/52/33/1317665233.db2.gz OOPJDQQMDOXEAW-KEAPPQJHSA-N 2 1 328.500 3.492 20 0 EGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000808691698 1317716385 /nfs/dbraw/zinc/71/63/85/1317716385.db2.gz MXRJZBKJSVTQSQ-FTRWYGJKSA-N 2 1 339.483 3.307 20 0 EGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000808691698 1317716391 /nfs/dbraw/zinc/71/63/91/1317716391.db2.gz MXRJZBKJSVTQSQ-FTRWYGJKSA-N 2 1 339.483 3.307 20 0 EGADMP CCc1csc([C@@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903738175 1317728047 /nfs/dbraw/zinc/72/80/47/1317728047.db2.gz YWVIEJKALOBHBP-WBVHZDCISA-N 2 1 349.544 3.044 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C[C@@H]2CCCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000903739133 1317728070 /nfs/dbraw/zinc/72/80/70/1317728070.db2.gz CRJADZKHFJFRON-NRSPTQNISA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCc2ccc(Cl)cc21 ZINC000903765404 1317730736 /nfs/dbraw/zinc/73/07/36/1317730736.db2.gz ZMOALBODKUVYBE-DKSSEZFCSA-N 2 1 334.891 3.070 20 0 EGADMP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903922643 1317749228 /nfs/dbraw/zinc/74/92/28/1317749228.db2.gz BDDVZWGNNPCIAB-WPRPVWTQSA-N 2 1 339.199 3.091 20 0 EGADMP [NH3+][C@H](C[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1)CC(F)F ZINC000903923570 1317750251 /nfs/dbraw/zinc/75/02/51/1317750251.db2.gz XONXWGUVLMIAPN-INIZCTEOSA-N 2 1 338.373 3.477 20 0 EGADMP C[N@H+]1CCCC[C@@H](CNCc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000858245217 1328721024 /nfs/dbraw/zinc/72/10/24/1328721024.db2.gz DKIRRIYVMFBGEI-KRWDZBQOSA-N 2 1 346.906 3.406 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)c1ccccc1Cl ZINC001020586725 1317792585 /nfs/dbraw/zinc/79/25/85/1317792585.db2.gz XFDWZCNGBFLXON-QKPAOTATSA-N 2 1 349.906 3.122 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001020660819 1317841155 /nfs/dbraw/zinc/84/11/55/1317841155.db2.gz HTJKYTKIXICFDT-SZMVWBNQSA-N 2 1 340.471 3.005 20 0 EGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406185 1317842910 /nfs/dbraw/zinc/84/29/10/1317842910.db2.gz TWAKUNQUZSVDHY-SFHVURJKSA-N 2 1 340.515 3.400 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001020675745 1317851854 /nfs/dbraw/zinc/85/18/54/1317851854.db2.gz DFIQHRUXKKPUPR-WFAGLZIHSA-N 2 1 349.563 3.312 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc2ccccc2c1 ZINC000809738327 1317884241 /nfs/dbraw/zinc/88/42/41/1317884241.db2.gz URXZRWDDENCIAP-FQEVSTJZSA-N 2 1 340.515 3.083 20 0 EGADMP COCCOc1cccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000809738769 1317884342 /nfs/dbraw/zinc/88/43/42/1317884342.db2.gz IXINRPLYHBWVHH-UHFFFAOYSA-N 2 1 342.483 3.405 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@](C)(O)C(F)F ZINC000905044483 1317917336 /nfs/dbraw/zinc/91/73/36/1317917336.db2.gz COXLPYDXYXSTQN-KSSFIOAISA-N 2 1 326.431 3.167 20 0 EGADMP C[N@@H+](Cc1cn(C[C@@H]2CC[NH+](Cc3ccccc3)C2)nn1)C(C)(C)C ZINC000905058040 1317917866 /nfs/dbraw/zinc/91/78/66/1317917866.db2.gz DMZOWVSOKGWWBY-GOSISDBHSA-N 2 1 341.503 3.031 20 0 EGADMP C[NH+](Cc1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1)C(C)(C)C ZINC000905058040 1317917871 /nfs/dbraw/zinc/91/78/71/1317917871.db2.gz DMZOWVSOKGWWBY-GOSISDBHSA-N 2 1 341.503 3.031 20 0 EGADMP C[NH+](Cc1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1)C(C)(C)C ZINC000905058040 1317917877 /nfs/dbraw/zinc/91/78/77/1317917877.db2.gz DMZOWVSOKGWWBY-GOSISDBHSA-N 2 1 341.503 3.031 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000810129563 1317959405 /nfs/dbraw/zinc/95/94/05/1317959405.db2.gz VVMBFLUEQLOLSM-INIZCTEOSA-N 2 1 340.471 3.449 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001021089383 1318077658 /nfs/dbraw/zinc/07/76/58/1318077658.db2.gz BTEQBEFHOZNBRA-YOQCTACHSA-N 2 1 335.536 3.066 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1)c1ccccc1 ZINC001021094700 1318080607 /nfs/dbraw/zinc/08/06/07/1318080607.db2.gz YPFMMOCRYOURDG-UAFMIMERSA-N 2 1 343.515 3.249 20 0 EGADMP [NH3+]C1CC([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000906510150 1318111381 /nfs/dbraw/zinc/11/13/81/1318111381.db2.gz NZWZKKHMGUKVNH-UHFFFAOYSA-N 2 1 329.831 3.172 20 0 EGADMP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000907283758 1318207257 /nfs/dbraw/zinc/20/72/57/1318207257.db2.gz HVFWTLQITLEEKJ-DLBZAZTESA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001021434461 1318248527 /nfs/dbraw/zinc/24/85/27/1318248527.db2.gz GQWRUQHUHVTMPZ-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001021434461 1318248533 /nfs/dbraw/zinc/24/85/33/1318248533.db2.gz GQWRUQHUHVTMPZ-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001021434461 1318248544 /nfs/dbraw/zinc/24/85/44/1318248544.db2.gz GQWRUQHUHVTMPZ-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP OCc1cc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc[nH+]1 ZINC000858480671 1328774855 /nfs/dbraw/zinc/77/48/55/1328774855.db2.gz ZQVYTSPSAXXDIR-DZFGPLHGSA-N 2 1 337.467 3.287 20 0 EGADMP C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(Br)nc1 ZINC000858492244 1328777815 /nfs/dbraw/zinc/77/78/15/1328777815.db2.gz VDKZAGZIKOCHSA-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(Br)nc1 ZINC000858492244 1328777820 /nfs/dbraw/zinc/77/78/20/1328777820.db2.gz VDKZAGZIKOCHSA-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Br)nc1 ZINC000858492244 1328777824 /nfs/dbraw/zinc/77/78/24/1328777824.db2.gz VDKZAGZIKOCHSA-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP CC1(C)[C@H](O)C[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813880236 1318650335 /nfs/dbraw/zinc/65/03/35/1318650335.db2.gz DHGGJKGUVXHFBN-DGDSNLKDSA-N 2 1 328.500 3.321 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCC1)[NH+](C)C ZINC000960692222 1318795978 /nfs/dbraw/zinc/79/59/78/1318795978.db2.gz XKDUEWRKROWFBM-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(C)ccc1C)[NH+](C)C ZINC000960709510 1318812462 /nfs/dbraw/zinc/81/24/62/1318812462.db2.gz LYQPVIBYRDPFED-VQTJNVASSA-N 2 1 345.531 3.066 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC2(CC2)CC1)[NH+](C)C ZINC000960713254 1318820041 /nfs/dbraw/zinc/82/00/41/1318820041.db2.gz UIQZJZSDUDHFKD-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC000960740089 1318842524 /nfs/dbraw/zinc/84/25/24/1318842524.db2.gz RIVBRLXYVIVKHE-LJQANCHMSA-N 2 1 348.450 3.071 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000960755548 1318857884 /nfs/dbraw/zinc/85/78/84/1318857884.db2.gz XTGNXTCYLYWBHJ-LJQANCHMSA-N 2 1 340.471 3.061 20 0 EGADMP OCc1cc(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000858549766 1328792849 /nfs/dbraw/zinc/79/28/49/1328792849.db2.gz ASQWYAQEQSLUGQ-SFHVURJKSA-N 2 1 325.456 3.288 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)c1cccc(Cl)c1 ZINC001022291358 1318880928 /nfs/dbraw/zinc/88/09/28/1318880928.db2.gz YFTGCPXSFSHQQU-NKGKWGDASA-N 2 1 349.906 3.122 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H](O)c2cccc(C)c2)CC1 ZINC000930146054 1328798473 /nfs/dbraw/zinc/79/84/73/1328798473.db2.gz PBKUUILOBMUTLF-OAQYLSRUSA-N 2 1 348.531 3.099 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001022601268 1319009499 /nfs/dbraw/zinc/00/94/99/1319009499.db2.gz IOCZUTUZHYNEDT-HHUCQEJWSA-N 2 1 343.515 3.023 20 0 EGADMP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001022717072 1319080631 /nfs/dbraw/zinc/08/06/31/1319080631.db2.gz OVGUIRJORUBQCE-CADBVGFASA-N 2 1 349.563 3.172 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001023124191 1319271994 /nfs/dbraw/zinc/27/19/94/1319271994.db2.gz BTEQBEFHOZNBRA-AMBYYYRHSA-N 2 1 335.536 3.066 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961189310 1319303993 /nfs/dbraw/zinc/30/39/93/1319303993.db2.gz ZCEFJLPCGMVZTK-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1OC(=O)CC ZINC000817865681 1319449192 /nfs/dbraw/zinc/44/91/92/1319449192.db2.gz XEFGOVKGSVYMPV-INMHGKMJSA-N 2 1 348.487 3.206 20 0 EGADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1Cn1cccn1 ZINC000817938159 1319467085 /nfs/dbraw/zinc/46/70/85/1319467085.db2.gz FUOAPVNLXYIVMS-INIZCTEOSA-N 2 1 342.487 3.252 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000817962860 1319479837 /nfs/dbraw/zinc/47/98/37/1319479837.db2.gz MDEMGOZTELATLT-YJBOKZPZSA-N 2 1 330.476 3.108 20 0 EGADMP CCCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023370679 1319481738 /nfs/dbraw/zinc/48/17/38/1319481738.db2.gz MUUBOQIWKHFORG-MOPGFXCFSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023370679 1319481741 /nfs/dbraw/zinc/48/17/41/1319481741.db2.gz MUUBOQIWKHFORG-MOPGFXCFSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023370679 1319481753 /nfs/dbraw/zinc/48/17/53/1319481753.db2.gz MUUBOQIWKHFORG-MOPGFXCFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC(CC)CC)C1 ZINC001023402986 1319509275 /nfs/dbraw/zinc/50/92/75/1319509275.db2.gz XXTDEEGKUIZLSQ-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(CC)CC)C1 ZINC001023402986 1319509285 /nfs/dbraw/zinc/50/92/85/1319509285.db2.gz XXTDEEGKUIZLSQ-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(CC)CC)C1 ZINC001023402986 1319509296 /nfs/dbraw/zinc/50/92/96/1319509296.db2.gz XXTDEEGKUIZLSQ-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961375492 1319530853 /nfs/dbraw/zinc/53/08/53/1319530853.db2.gz VIPZOSHTODLLPQ-YZGWKJHDSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000961375492 1319530859 /nfs/dbraw/zinc/53/08/59/1319530859.db2.gz VIPZOSHTODLLPQ-YZGWKJHDSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000961375492 1319530866 /nfs/dbraw/zinc/53/08/66/1319530866.db2.gz VIPZOSHTODLLPQ-YZGWKJHDSA-N 2 1 349.563 3.077 20 0 EGADMP CCn1nc(C)c(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000818345801 1319533251 /nfs/dbraw/zinc/53/32/51/1319533251.db2.gz PAUIPDLVIZIRQC-UHFFFAOYSA-N 2 1 341.503 3.139 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961379920 1319536699 /nfs/dbraw/zinc/53/66/99/1319536699.db2.gz XEFCZMCZKCEOGK-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961379920 1319536703 /nfs/dbraw/zinc/53/67/03/1319536703.db2.gz XEFCZMCZKCEOGK-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961379920 1319536708 /nfs/dbraw/zinc/53/67/08/1319536708.db2.gz XEFCZMCZKCEOGK-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023451784 1319555024 /nfs/dbraw/zinc/55/50/24/1319555024.db2.gz MGPWZZBXHGILPJ-QGZVFWFLSA-N 2 1 340.471 3.051 20 0 EGADMP Cc1c(C(=O)NC[C@H]2CCC[N@H+](CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001023450978 1319555130 /nfs/dbraw/zinc/55/51/30/1319555130.db2.gz BTAXSYXBNCRKHH-QGZVFWFLSA-N 2 1 342.487 3.131 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc(Cl)cc1Cl ZINC000818959675 1319590253 /nfs/dbraw/zinc/59/02/53/1319590253.db2.gz QLUNYLQGKWZTDN-BZUAXINKSA-N 2 1 329.271 3.243 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(Cl)cc1Cl ZINC000818959677 1319590763 /nfs/dbraw/zinc/59/07/63/1319590763.db2.gz QLUNYLQGKWZTDN-OWCLPIDISA-N 2 1 329.271 3.243 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000818985617 1319605005 /nfs/dbraw/zinc/60/50/05/1319605005.db2.gz UAHLUBHWPMEKMQ-PBHICJAKSA-N 2 1 344.421 3.449 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccc2)[C@H]1c1cccs1 ZINC000819100836 1319634880 /nfs/dbraw/zinc/63/48/80/1319634880.db2.gz JIEHNXQWOJXMEG-AOIWGVFYSA-N 2 1 330.497 3.454 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccc2)[C@H]1c1cccs1 ZINC000819100836 1319634891 /nfs/dbraw/zinc/63/48/91/1319634891.db2.gz JIEHNXQWOJXMEG-AOIWGVFYSA-N 2 1 330.497 3.454 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000819182906 1319660098 /nfs/dbraw/zinc/66/00/98/1319660098.db2.gz RWQVOYYREUGJKO-KSSFIOAISA-N 2 1 342.886 3.470 20 0 EGADMP CCCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552898 1319662685 /nfs/dbraw/zinc/66/26/85/1319662685.db2.gz QNASSHADSWKBKY-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552898 1319662698 /nfs/dbraw/zinc/66/26/98/1319662698.db2.gz QNASSHADSWKBKY-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552898 1319662706 /nfs/dbraw/zinc/66/27/06/1319662706.db2.gz QNASSHADSWKBKY-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1sc2nc(C)nc(C)c2c1C ZINC000916836820 1319712763 /nfs/dbraw/zinc/71/27/63/1319712763.db2.gz OBTUKQIRENXKIV-UHFFFAOYSA-N 2 1 329.473 3.301 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC000962023718 1319802651 /nfs/dbraw/zinc/80/26/51/1319802651.db2.gz GLSMMLQLGXFADY-KVZIAJEVSA-N 2 1 349.563 3.027 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000823437636 1320179976 /nfs/dbraw/zinc/17/99/76/1320179976.db2.gz PBVKSJZHNOYMGP-QGZVFWFLSA-N 2 1 341.540 3.057 20 0 EGADMP Cc1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)sc2nc(C)nc(C)c12 ZINC000824987916 1320301634 /nfs/dbraw/zinc/30/16/34/1320301634.db2.gz DTXZUGGAGMHJPI-GOOCMWNKSA-N 2 1 330.501 3.331 20 0 EGADMP COC(=O)c1oc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1C ZINC000825915802 1320371070 /nfs/dbraw/zinc/37/10/70/1320371070.db2.gz AJGCWXDLCDMCMF-UHFFFAOYSA-N 2 1 330.428 3.068 20 0 EGADMP COC(=O)c1oc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1C ZINC000825915802 1320371074 /nfs/dbraw/zinc/37/10/74/1320371074.db2.gz AJGCWXDLCDMCMF-UHFFFAOYSA-N 2 1 330.428 3.068 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@H]1SC ZINC000839073693 1320862303 /nfs/dbraw/zinc/86/23/03/1320862303.db2.gz PIVUNIUYNKWHET-NMLBUPMWSA-N 2 1 348.556 3.397 20 0 EGADMP CCCCn1nc(C)c(C[NH2+]Cc2ccc(CC[NH3+])cc2)c1Cl ZINC000841031946 1321204577 /nfs/dbraw/zinc/20/45/77/1321204577.db2.gz DBPSDWUHUMQBFZ-UHFFFAOYSA-N 2 1 334.895 3.436 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)[C@@H]2CCCN(CC(C)(C)C)C2=O)cc1 ZINC000859212655 1328946852 /nfs/dbraw/zinc/94/68/52/1328946852.db2.gz MKNQVCHHKVQZHC-LJQANCHMSA-N 2 1 345.531 3.217 20 0 EGADMP CO[C@@H](Cc1ccccc1)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213326 1328947033 /nfs/dbraw/zinc/94/70/33/1328947033.db2.gz VMWAEONGCXRBHC-NRFANRHFSA-N 2 1 326.484 3.438 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)[C@H]2CCCN(CC(C)(C)C)C2=O)cc1 ZINC000859212653 1328947414 /nfs/dbraw/zinc/94/74/14/1328947414.db2.gz MKNQVCHHKVQZHC-IBGZPJMESA-N 2 1 345.531 3.217 20 0 EGADMP CCc1ccc2c(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc(=O)oc2c1 ZINC000842474689 1321392881 /nfs/dbraw/zinc/39/28/81/1321392881.db2.gz WUDSIEGLSACBAB-LPHOPBHVSA-N 2 1 340.467 3.319 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C2CC[NH+](C(C)(C)C)CC2)o1 ZINC000842672657 1321416741 /nfs/dbraw/zinc/41/67/41/1321416741.db2.gz YIEJIZZBMWQLRY-UHFFFAOYSA-N 2 1 330.476 3.341 20 0 EGADMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1)c1cccc2ccccc21 ZINC000843354079 1321504999 /nfs/dbraw/zinc/50/49/99/1321504999.db2.gz WAYVSXRJQSAOCN-FAEJEUNOSA-N 2 1 339.483 3.219 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCCCCC[NH3+])CC1 ZINC000844202458 1321577869 /nfs/dbraw/zinc/57/78/69/1321577869.db2.gz GHVVYHIWZSOLEO-GOSISDBHSA-N 2 1 337.552 3.399 20 0 EGADMP COc1cccc2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)oc21 ZINC000844909435 1321656793 /nfs/dbraw/zinc/65/67/93/1321656793.db2.gz BZAWMDUUNQOIOX-SUMDDJOVSA-N 2 1 344.455 3.302 20 0 EGADMP COc1cc(F)c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1OC ZINC000845970325 1321760290 /nfs/dbraw/zinc/76/02/90/1321760290.db2.gz URQWZUJQADOSOU-UHFFFAOYSA-N 2 1 336.451 3.151 20 0 EGADMP C[N@@H+](CCCCCC[NH3+])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000846218929 1321777777 /nfs/dbraw/zinc/77/77/77/1321777777.db2.gz ZICMOLNEBLIKHM-HZPDHXFCSA-N 2 1 331.287 3.402 20 0 EGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NCC3CC[NH+](C)CC3)cc2)C1 ZINC000846747737 1321804559 /nfs/dbraw/zinc/80/45/59/1321804559.db2.gz VDNWPWZMVUAWEX-KRWDZBQOSA-N 2 1 331.504 3.161 20 0 EGADMP COC(=O)/C=C/c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC000848895952 1322036030 /nfs/dbraw/zinc/03/60/30/1322036030.db2.gz ZHCPNQMAZQLYJQ-ZNFPLGDCSA-N 2 1 334.460 3.068 20 0 EGADMP COC(=O)/C=C\c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000848901723 1322039055 /nfs/dbraw/zinc/03/90/55/1322039055.db2.gz ATRNKZIRWQJIRP-BOGIFKDDSA-N 2 1 346.471 3.208 20 0 EGADMP COC(=O)/C=C\c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000848901723 1322039062 /nfs/dbraw/zinc/03/90/62/1322039062.db2.gz ATRNKZIRWQJIRP-BOGIFKDDSA-N 2 1 346.471 3.208 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(Cl)cc1Cl ZINC000849057856 1322061929 /nfs/dbraw/zinc/06/19/29/1322061929.db2.gz XKKPRWPPNUBEMR-AWEZNQCLSA-N 2 1 343.302 3.134 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2)CCCC1 ZINC000849071258 1322066331 /nfs/dbraw/zinc/06/63/31/1322066331.db2.gz ZSVCPWSAOQHRPQ-GOSISDBHSA-N 2 1 346.494 3.236 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000849107233 1322081413 /nfs/dbraw/zinc/08/14/13/1322081413.db2.gz CJFVPHFQLLQISG-LBPRGKRZSA-N 2 1 344.381 3.252 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000850399567 1322237586 /nfs/dbraw/zinc/23/75/86/1322237586.db2.gz MWYCPLHJEZRIMD-DVOMOZLQSA-N 2 1 329.271 3.243 20 0 EGADMP COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000921493729 1322329670 /nfs/dbraw/zinc/32/96/70/1322329670.db2.gz VFQDISDLGHPSGT-CQSZACIVSA-N 2 1 348.487 3.026 20 0 EGADMP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000921767648 1322394939 /nfs/dbraw/zinc/39/49/39/1322394939.db2.gz UQCROIFABRVUKH-VNTMZGSJSA-N 2 1 348.556 3.133 20 0 EGADMP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000921767648 1322394945 /nfs/dbraw/zinc/39/49/45/1322394945.db2.gz UQCROIFABRVUKH-VNTMZGSJSA-N 2 1 348.556 3.133 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1Cl ZINC000922388456 1322516114 /nfs/dbraw/zinc/51/61/14/1322516114.db2.gz FEGFDILCMUAAGQ-MKXGPGLRSA-N 2 1 336.907 3.218 20 0 EGADMP Cc1cc(C)c(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1C ZINC000922389403 1322516615 /nfs/dbraw/zinc/51/66/15/1322516615.db2.gz UJFBMTUADARJMO-CGXNFDGLSA-N 2 1 330.516 3.181 20 0 EGADMP O[C@@H](Cc1ccc2ccccc2c1)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000923293252 1322726853 /nfs/dbraw/zinc/72/68/53/1322726853.db2.gz SNHNISUYIXFYIQ-QFIPXVFZSA-N 2 1 338.495 3.207 20 0 EGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2OC(F)F)C1 ZINC000923490786 1322760417 /nfs/dbraw/zinc/76/04/17/1322760417.db2.gz IWRKXVKNPZAOFK-SNVBAGLBSA-N 2 1 349.219 3.221 20 0 EGADMP c1ccc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]CC4)CC3)n2)cc1 ZINC000923503570 1322764493 /nfs/dbraw/zinc/76/44/93/1322764493.db2.gz MQCSSTFURSZKHT-INIZCTEOSA-N 2 1 340.471 3.338 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000923887163 1322836712 /nfs/dbraw/zinc/83/67/12/1322836712.db2.gz ZKRZKMZLNRMFAS-KRWDZBQOSA-N 2 1 344.459 3.222 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001023985487 1323064987 /nfs/dbraw/zinc/06/49/87/1323064987.db2.gz XALXEPATSOWFQC-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001023984582 1323065087 /nfs/dbraw/zinc/06/50/87/1323065087.db2.gz GHBHYVRCRSNYJY-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000924684319 1323112486 /nfs/dbraw/zinc/11/24/86/1323112486.db2.gz DQUWGPUVHDKSRE-YZGWKJHDSA-N 2 1 332.536 3.376 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CCC[C@@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC001024156924 1323179637 /nfs/dbraw/zinc/17/96/37/1323179637.db2.gz VGYURPBJGXKQDN-IBGZPJMESA-N 2 1 349.563 3.127 20 0 EGADMP C[C@H]1[C@H](NC2CC[NH+](C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000924841810 1323184251 /nfs/dbraw/zinc/18/42/51/1323184251.db2.gz DWQKJCMQYVEYCR-LAUBAEHRSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@H]1[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCN1Cc1ccccc1 ZINC000924841810 1323184259 /nfs/dbraw/zinc/18/42/59/1323184259.db2.gz DWQKJCMQYVEYCR-LAUBAEHRSA-N 2 1 327.516 3.256 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC000963158369 1323221024 /nfs/dbraw/zinc/22/10/24/1323221024.db2.gz XBKFHCUHAXBBCJ-SOAGJPPSSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1coc2ccccc21 ZINC000925018987 1323246240 /nfs/dbraw/zinc/24/62/40/1323246240.db2.gz HKNFBDJCKJGSGR-HNNXBMFYSA-N 2 1 343.471 3.026 20 0 EGADMP CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ncccc1Cl ZINC000925023706 1323248350 /nfs/dbraw/zinc/24/83/50/1323248350.db2.gz PGLIVTRVLOYBQQ-WBVHZDCISA-N 2 1 339.911 3.403 20 0 EGADMP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853084700 1323276401 /nfs/dbraw/zinc/27/64/01/1323276401.db2.gz XBZAONQIXYTZCU-MRXNPFEDSA-N 2 1 339.524 3.001 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCC(C)(C)CC1 ZINC001024366390 1323340516 /nfs/dbraw/zinc/34/05/16/1323340516.db2.gz RCRGZOICLODPQA-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001024366390 1323340520 /nfs/dbraw/zinc/34/05/20/1323340520.db2.gz RCRGZOICLODPQA-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCC(C)(C)CC1 ZINC001024366390 1323340524 /nfs/dbraw/zinc/34/05/24/1323340524.db2.gz RCRGZOICLODPQA-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024437664 1323398231 /nfs/dbraw/zinc/39/82/31/1323398231.db2.gz UWICMLCKCLKDLI-MSOLQXFVSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC001024437664 1323398238 /nfs/dbraw/zinc/39/82/38/1323398238.db2.gz UWICMLCKCLKDLI-MSOLQXFVSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccsc1 ZINC001024437664 1323398248 /nfs/dbraw/zinc/39/82/48/1323398248.db2.gz UWICMLCKCLKDLI-MSOLQXFVSA-N 2 1 349.544 3.092 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC(CC)CC ZINC001024469716 1323424145 /nfs/dbraw/zinc/42/41/45/1323424145.db2.gz VZOPDYZDOMHSGD-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(CC)CC ZINC001024469716 1323424150 /nfs/dbraw/zinc/42/41/50/1323424150.db2.gz VZOPDYZDOMHSGD-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC(CC)CC ZINC001024469716 1323424156 /nfs/dbraw/zinc/42/41/56/1323424156.db2.gz VZOPDYZDOMHSGD-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCCC1 ZINC001024514135 1323463693 /nfs/dbraw/zinc/46/36/93/1323463693.db2.gz VZDHYAXRVKKPQV-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCCC1 ZINC001024514135 1323463699 /nfs/dbraw/zinc/46/36/99/1323463699.db2.gz VZDHYAXRVKKPQV-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCCC1 ZINC001024514135 1323463705 /nfs/dbraw/zinc/46/37/05/1323463705.db2.gz VZDHYAXRVKKPQV-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1CCCC1CCC1)C12CCC[NH+]1CCC2 ZINC001024529980 1323475329 /nfs/dbraw/zinc/47/53/29/1323475329.db2.gz BCIANQZWWFPKLX-LJQANCHMSA-N 2 1 347.547 3.166 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557105 1323497721 /nfs/dbraw/zinc/49/77/21/1323497721.db2.gz LTTBJZLHVOJLRG-KRWDZBQOSA-N 2 1 342.487 3.355 20 0 EGADMP CC[C@H](F)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814897 1323718265 /nfs/dbraw/zinc/71/82/65/1323718265.db2.gz YACKTOZYDCTZOX-ZWKOTPCHSA-N 2 1 349.494 3.081 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814981 1323718306 /nfs/dbraw/zinc/71/83/06/1323718306.db2.gz ZFJALNSILRWSDH-HKUYNNGSSA-N 2 1 345.531 3.379 20 0 EGADMP C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433964 1329116738 /nfs/dbraw/zinc/11/67/38/1329116738.db2.gz LEGJAVUSOXQEMF-ZYSHUDEJSA-N 2 1 337.467 3.050 20 0 EGADMP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433964 1329116742 /nfs/dbraw/zinc/11/67/42/1329116742.db2.gz LEGJAVUSOXQEMF-ZYSHUDEJSA-N 2 1 337.467 3.050 20 0 EGADMP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433964 1329116744 /nfs/dbraw/zinc/11/67/44/1329116744.db2.gz LEGJAVUSOXQEMF-ZYSHUDEJSA-N 2 1 337.467 3.050 20 0 EGADMP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433964 1329116751 /nfs/dbraw/zinc/11/67/51/1329116751.db2.gz LEGJAVUSOXQEMF-ZYSHUDEJSA-N 2 1 337.467 3.050 20 0 EGADMP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433964 1329116753 /nfs/dbraw/zinc/11/67/53/1329116753.db2.gz LEGJAVUSOXQEMF-ZYSHUDEJSA-N 2 1 337.467 3.050 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCCC2)C1 ZINC001025137947 1323915976 /nfs/dbraw/zinc/91/59/76/1323915976.db2.gz BXPCGQBSAWMHFM-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025239860 1324033302 /nfs/dbraw/zinc/03/33/02/1324033302.db2.gz JQEQHJBEIAXMEO-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025239860 1324033308 /nfs/dbraw/zinc/03/33/08/1324033308.db2.gz JQEQHJBEIAXMEO-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025239860 1324033312 /nfs/dbraw/zinc/03/33/12/1324033312.db2.gz JQEQHJBEIAXMEO-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240862 1324034976 /nfs/dbraw/zinc/03/49/76/1324034976.db2.gz RRCMBFXJLZHWAT-MOPGFXCFSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001025431946 1324268339 /nfs/dbraw/zinc/26/83/39/1324268339.db2.gz DYAPUTUEUKRFME-GDBMZVCRSA-N 2 1 349.544 3.050 20 0 EGADMP Cc1cc(NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)cn2cc[nH+]c12 ZINC000931555238 1329142867 /nfs/dbraw/zinc/14/28/67/1329142867.db2.gz VNQWJRGVTLIRIF-UHFFFAOYSA-N 2 1 341.459 3.171 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCC2)CC1 ZINC001026591273 1324917995 /nfs/dbraw/zinc/91/79/95/1324917995.db2.gz YFBSPZJVTJNDCI-MHJFOBGBSA-N 2 1 349.563 3.458 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2ccsc2)CC1 ZINC001026610736 1324932473 /nfs/dbraw/zinc/93/24/73/1324932473.db2.gz UQLKSHBVKUJTSB-DAWZGUTISA-N 2 1 349.544 3.140 20 0 EGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001026886791 1325063028 /nfs/dbraw/zinc/06/30/28/1325063028.db2.gz FOWVNKBYFSKEAK-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001026888463 1325064296 /nfs/dbraw/zinc/06/42/96/1325064296.db2.gz GJJVHLDVXCFNHV-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CCS[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)C1 ZINC000925219976 1325084924 /nfs/dbraw/zinc/08/49/24/1325084924.db2.gz YFDWMQZNEGCQBE-VGUREELVSA-N 2 1 326.550 3.282 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963345013 1325135278 /nfs/dbraw/zinc/13/52/78/1325135278.db2.gz CLSGESLVRMBAMN-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963386783 1325186657 /nfs/dbraw/zinc/18/66/57/1325186657.db2.gz RDCPLIHWMCJHQR-IAGOWNOFSA-N 2 1 346.519 3.190 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963386783 1325186664 /nfs/dbraw/zinc/18/66/64/1325186664.db2.gz RDCPLIHWMCJHQR-IAGOWNOFSA-N 2 1 346.519 3.190 20 0 EGADMP CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963386785 1325186776 /nfs/dbraw/zinc/18/67/76/1325186776.db2.gz RDCPLIHWMCJHQR-SJORKVTESA-N 2 1 346.519 3.190 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000963386785 1325186794 /nfs/dbraw/zinc/18/67/94/1325186794.db2.gz RDCPLIHWMCJHQR-SJORKVTESA-N 2 1 346.519 3.190 20 0 EGADMP CC(C)[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000963420063 1325229043 /nfs/dbraw/zinc/22/90/43/1325229043.db2.gz GJFPNVNYVMRHLP-TVPLGVNVSA-N 2 1 335.536 3.161 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C23CCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000925631248 1325239351 /nfs/dbraw/zinc/23/93/51/1325239351.db2.gz GNRDSJPDGHNXPO-GBESFXJTSA-N 2 1 349.469 3.363 20 0 EGADMP CC(C)[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C23CCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000925631248 1325239359 /nfs/dbraw/zinc/23/93/59/1325239359.db2.gz GNRDSJPDGHNXPO-GBESFXJTSA-N 2 1 349.469 3.363 20 0 EGADMP CN(C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1cccc(C(F)(F)F)c1 ZINC000925642954 1325245039 /nfs/dbraw/zinc/24/50/39/1325245039.db2.gz UOBIKTBUOBUIDT-OAGGEKHMSA-N 2 1 341.421 3.168 20 0 EGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCCCC[NH+]2CCNCC2)C1 ZINC000925846354 1325326520 /nfs/dbraw/zinc/32/65/20/1325326520.db2.gz LZRXYBRVOGTJDX-WOJBJXKFSA-N 2 1 344.547 3.081 20 0 EGADMP CC(C)[NH2+][C@H]1CCCN(C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857090307 1325572000 /nfs/dbraw/zinc/57/20/00/1325572000.db2.gz PTYWMINMIAVGKJ-PMACEKPBSA-N 2 1 343.515 3.098 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC2CCCC2)C1 ZINC001027410506 1327635908 /nfs/dbraw/zinc/63/59/08/1327635908.db2.gz XWBQPACMUIADKP-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027410506 1327635917 /nfs/dbraw/zinc/63/59/17/1327635917.db2.gz XWBQPACMUIADKP-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027410506 1327635923 /nfs/dbraw/zinc/63/59/23/1327635923.db2.gz XWBQPACMUIADKP-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC1CCC(C[N@@H+](C)[C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001027439099 1327679226 /nfs/dbraw/zinc/67/92/26/1327679226.db2.gz FZVMYFMXVHOAOA-ACBHZAAOSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](CC1CCC1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027442336 1327681392 /nfs/dbraw/zinc/68/13/92/1327681392.db2.gz DLXWBYOCUORZHL-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CCC1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001027442336 1327681400 /nfs/dbraw/zinc/68/14/00/1327681400.db2.gz DLXWBYOCUORZHL-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CCC1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001027442336 1327681409 /nfs/dbraw/zinc/68/14/09/1327681409.db2.gz DLXWBYOCUORZHL-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCCC2)C1)C1CC1 ZINC001027445106 1327684508 /nfs/dbraw/zinc/68/45/08/1327684508.db2.gz ZWENOCQPXFEIQJ-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)CC1 ZINC000926730794 1327687799 /nfs/dbraw/zinc/68/77/99/1327687799.db2.gz FIZVFGGEDFFSNP-KRWDZBQOSA-N 2 1 344.421 3.237 20 0 EGADMP C[N@@H+](Cc1ccsc1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027447935 1327690177 /nfs/dbraw/zinc/69/01/77/1327690177.db2.gz BUODASWRYXMFHI-ZWKOTPCHSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001027447935 1327690191 /nfs/dbraw/zinc/69/01/91/1327690191.db2.gz BUODASWRYXMFHI-ZWKOTPCHSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001027447935 1327690198 /nfs/dbraw/zinc/69/01/98/1327690198.db2.gz BUODASWRYXMFHI-ZWKOTPCHSA-N 2 1 349.544 3.045 20 0 EGADMP C[N@@H+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555400 1327862485 /nfs/dbraw/zinc/86/24/85/1327862485.db2.gz KWKHLVRLCQHBIK-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C)c(C)c2)C1)[NH+](C)C ZINC001027578048 1327912867 /nfs/dbraw/zinc/91/28/67/1327912867.db2.gz ARPXMPBVXXMSBF-UXHICEINSA-N 2 1 345.531 3.066 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(C)ccc2C)C1)[NH+](C)C ZINC001027578163 1327914626 /nfs/dbraw/zinc/91/46/26/1327914626.db2.gz FKGNJCIROCVDQH-PMACEKPBSA-N 2 1 345.531 3.066 20 0 EGADMP C[N@@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027603063 1327957118 /nfs/dbraw/zinc/95/71/18/1327957118.db2.gz CTXAWRMDIZUHLC-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CC3CC(C)C3)C2)CC1 ZINC001027636934 1328002930 /nfs/dbraw/zinc/00/29/30/1328002930.db2.gz KECYBEWPZZNLEP-QLOJAFMTSA-N 2 1 349.563 3.076 20 0 EGADMP C[N@@H+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680545 1328079528 /nfs/dbraw/zinc/07/95/28/1328079528.db2.gz HFZZULYSUZIEKY-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027680545 1328079535 /nfs/dbraw/zinc/07/95/35/1328079535.db2.gz HFZZULYSUZIEKY-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027680545 1328079540 /nfs/dbraw/zinc/07/95/40/1328079540.db2.gz HFZZULYSUZIEKY-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000928011188 1328170992 /nfs/dbraw/zinc/17/09/92/1328170992.db2.gz MHINDSWNZPYTDV-SCCNAQOGSA-N 2 1 343.515 3.203 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966489367 1328318822 /nfs/dbraw/zinc/31/88/22/1328318822.db2.gz JSVCNDDBRQPOKM-DOTOQJQBSA-N 2 1 349.544 3.216 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966489367 1328318829 /nfs/dbraw/zinc/31/88/29/1328318829.db2.gz JSVCNDDBRQPOKM-DOTOQJQBSA-N 2 1 349.544 3.216 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2CCCC2CCC2)C1 ZINC001027924045 1328402298 /nfs/dbraw/zinc/40/22/98/1328402298.db2.gz CILZUNADAHTQQK-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCCC2CCC2)C1 ZINC001027924045 1328402305 /nfs/dbraw/zinc/40/23/05/1328402305.db2.gz CILZUNADAHTQQK-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCCC2CCC2)C1 ZINC001027924045 1328402311 /nfs/dbraw/zinc/40/23/11/1328402311.db2.gz CILZUNADAHTQQK-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028046090 1328511090 /nfs/dbraw/zinc/51/10/90/1328511090.db2.gz YJRILRWOVTUZCI-MJGOQNOKSA-N 2 1 345.531 3.031 20 0 EGADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3ccc(=O)[nH]c3)cc2)CC1 ZINC000865504305 1329706440 /nfs/dbraw/zinc/70/64/40/1329706440.db2.gz JRVBOCYLLXYNEM-UHFFFAOYSA-N 2 1 340.471 3.177 20 0 EGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2c[nH]ccc-2n1 ZINC000933814456 1329925459 /nfs/dbraw/zinc/92/54/59/1329925459.db2.gz MQNYRXRXVARVGC-KRWDZBQOSA-N 2 1 348.450 3.157 20 0 EGADMP COc1ccccc1-c1nc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)co1 ZINC000866667262 1330139572 /nfs/dbraw/zinc/13/95/72/1330139572.db2.gz HEOUPSBQCKQRHA-ILXRZTDVSA-N 2 1 329.444 3.155 20 0 EGADMP COc1ccccc1-c1nc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)co1 ZINC000866667262 1330139573 /nfs/dbraw/zinc/13/95/73/1330139573.db2.gz HEOUPSBQCKQRHA-ILXRZTDVSA-N 2 1 329.444 3.155 20 0 EGADMP CC1(C)CC[NH2+]CC[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000866699948 1330141927 /nfs/dbraw/zinc/14/19/27/1330141927.db2.gz VPQSPJKOOZFTHW-UHFFFAOYSA-N 2 1 325.456 3.235 20 0 EGADMP CC1(C)CC[NH2+]CC[N@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000866699948 1330141929 /nfs/dbraw/zinc/14/19/29/1330141929.db2.gz VPQSPJKOOZFTHW-UHFFFAOYSA-N 2 1 325.456 3.235 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000940918159 1331254302 /nfs/dbraw/zinc/25/43/02/1331254302.db2.gz MKEMJDQZWVMREP-LJQANCHMSA-N 2 1 345.531 3.029 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942303030 1331897943 /nfs/dbraw/zinc/89/79/43/1331897943.db2.gz JYOKLIZEGVZFIK-BEFAXECRSA-N 2 1 342.487 3.211 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942558655 1331974448 /nfs/dbraw/zinc/97/44/48/1331974448.db2.gz ZMKGPKUAOXVCNR-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[N@@H+](CCC2=CCCCC2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598362 1331996238 /nfs/dbraw/zinc/99/62/38/1331996238.db2.gz WNGWAHVVSCLOMX-PXNSSMCTSA-N 2 1 347.547 3.045 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCC)C[C@H]2CC1 ZINC000946856121 1332917256 /nfs/dbraw/zinc/91/72/56/1332917256.db2.gz BDSVWAGVTOALJY-HSALFYBXSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC)C[C@H]2CC1 ZINC000946856121 1332917259 /nfs/dbraw/zinc/91/72/59/1332917259.db2.gz BDSVWAGVTOALJY-HSALFYBXSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCC)C[C@H]2CC1 ZINC000946856121 1332917262 /nfs/dbraw/zinc/91/72/62/1332917262.db2.gz BDSVWAGVTOALJY-HSALFYBXSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)[C@H](C)C2)ccc2c[nH+]cn21 ZINC000947471708 1333141628 /nfs/dbraw/zinc/14/16/28/1333141628.db2.gz DZFKQYBUQVPWKK-PBHICJAKSA-N 2 1 340.471 3.026 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947493394 1333146246 /nfs/dbraw/zinc/14/62/46/1333146246.db2.gz RRLXWGCAAOLEEP-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1CCC(C)(C)C ZINC000947505395 1333148924 /nfs/dbraw/zinc/14/89/24/1333148924.db2.gz ARMSLUIBOBOJKS-WBVHZDCISA-N 2 1 342.487 3.353 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948064291 1333360448 /nfs/dbraw/zinc/36/04/48/1333360448.db2.gz AKCANKFOHJXPLZ-IEBWSBKVSA-N 2 1 345.531 3.377 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC000948077006 1333367381 /nfs/dbraw/zinc/36/73/81/1333367381.db2.gz AHQLWQSOGBVDAH-HOTGVXAUSA-N 2 1 335.492 3.114 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(C)C)[C@@H](C)C2)o1 ZINC000948079510 1333368857 /nfs/dbraw/zinc/36/88/57/1333368857.db2.gz XARNJPJEBCZRSN-DLBZAZTESA-N 2 1 349.519 3.360 20 0 EGADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC000948245401 1333439395 /nfs/dbraw/zinc/43/93/95/1333439395.db2.gz QAWUHEVRSBKFLL-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](CCC2=CCCCC2)CC1 ZINC000948245401 1333439398 /nfs/dbraw/zinc/43/93/98/1333439398.db2.gz QAWUHEVRSBKFLL-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](CCC2=CCCCC2)CC1 ZINC000948245401 1333439402 /nfs/dbraw/zinc/43/94/02/1333439402.db2.gz QAWUHEVRSBKFLL-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC3CC(C)(C)C3)CC2)CC[N@H+]1C ZINC000948386117 1333504116 /nfs/dbraw/zinc/50/41/16/1333504116.db2.gz STYSNGMQOPDDMQ-NZSAHSFTSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CC3CC(C)(C)C3)CC2)CC[NH+]1C ZINC000948386117 1333504119 /nfs/dbraw/zinc/50/41/19/1333504119.db2.gz STYSNGMQOPDDMQ-NZSAHSFTSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CC3CC(C)(C)C3)CC2)CC[NH+]1C ZINC000948386117 1333504123 /nfs/dbraw/zinc/50/41/23/1333504123.db2.gz STYSNGMQOPDDMQ-NZSAHSFTSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC=C(C)C)CC1 ZINC000948416670 1333516923 /nfs/dbraw/zinc/51/69/23/1333516923.db2.gz MALDUUGQYWSZKQ-MOPGFXCFSA-N 2 1 335.536 3.140 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC=C(C)C)CC1 ZINC000948416670 1333516924 /nfs/dbraw/zinc/51/69/24/1333516924.db2.gz MALDUUGQYWSZKQ-MOPGFXCFSA-N 2 1 335.536 3.140 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC=C(C)C)CC1 ZINC000948416670 1333516929 /nfs/dbraw/zinc/51/69/29/1333516929.db2.gz MALDUUGQYWSZKQ-MOPGFXCFSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473559 1333539487 /nfs/dbraw/zinc/53/94/87/1333539487.db2.gz HZWXJITWZRRNJQ-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC000948634015 1333605038 /nfs/dbraw/zinc/60/50/38/1333605038.db2.gz JMPKMOLKIZFUQR-AZUAARDMSA-N 2 1 343.515 3.075 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC000948634015 1333605040 /nfs/dbraw/zinc/60/50/40/1333605040.db2.gz JMPKMOLKIZFUQR-AZUAARDMSA-N 2 1 343.515 3.075 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948674108 1333624032 /nfs/dbraw/zinc/62/40/32/1333624032.db2.gz PLKOQKMSMLNSGT-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CC=C(C)C)CC2)C1 ZINC000948711380 1333642477 /nfs/dbraw/zinc/64/24/77/1333642477.db2.gz PACCPVOXRFPKGN-UXHICEINSA-N 2 1 349.563 3.388 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CCC[N@H+](CC=C(C)C)CC2)C1 ZINC000948711380 1333642481 /nfs/dbraw/zinc/64/24/81/1333642481.db2.gz PACCPVOXRFPKGN-UXHICEINSA-N 2 1 349.563 3.388 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CCC[N@@H+](CC=C(C)C)CC2)C1 ZINC000948711380 1333642485 /nfs/dbraw/zinc/64/24/85/1333642485.db2.gz PACCPVOXRFPKGN-UXHICEINSA-N 2 1 349.563 3.388 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CCC[NH+](CCCC3CCC3)CC2)C1 ZINC000948767720 1333670153 /nfs/dbraw/zinc/67/01/53/1333670153.db2.gz ZXXPJVDTWPNOPK-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@H+](CCCC3CCC3)CC2)C1 ZINC000948767720 1333670156 /nfs/dbraw/zinc/67/01/56/1333670156.db2.gz ZXXPJVDTWPNOPK-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@@H+](CCCC3CCC3)CC2)C1 ZINC000948767720 1333670161 /nfs/dbraw/zinc/67/01/61/1333670161.db2.gz ZXXPJVDTWPNOPK-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC000948775374 1333673613 /nfs/dbraw/zinc/67/36/13/1333673613.db2.gz HALVTHHEBGENES-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC000948775374 1333673616 /nfs/dbraw/zinc/67/36/16/1333673616.db2.gz HALVTHHEBGENES-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000948775374 1333673619 /nfs/dbraw/zinc/67/36/19/1333673619.db2.gz HALVTHHEBGENES-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC000948776077 1333674906 /nfs/dbraw/zinc/67/49/06/1333674906.db2.gz YTRUPHFAEXCCHW-AZUAARDMSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC000948776077 1333674907 /nfs/dbraw/zinc/67/49/07/1333674907.db2.gz YTRUPHFAEXCCHW-AZUAARDMSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC000948776077 1333674909 /nfs/dbraw/zinc/67/49/09/1333674909.db2.gz YTRUPHFAEXCCHW-AZUAARDMSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@H](C(=O)N(C)[C@H]1CCC[N@@H+](CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC000948829474 1333700703 /nfs/dbraw/zinc/70/07/03/1333700703.db2.gz NOXZSOAQHXBEPN-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967396863 1335725545 /nfs/dbraw/zinc/72/55/45/1335725545.db2.gz IUBWRPWRAQGXSD-BEFAXECRSA-N 2 1 342.487 3.211 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000968645370 1335995331 /nfs/dbraw/zinc/99/53/31/1335995331.db2.gz XOHCURYXBHWSOE-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CCC(CC)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968857149 1336070034 /nfs/dbraw/zinc/07/00/34/1336070034.db2.gz UQFXKXGTKKTFQE-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CC=C(C)C)CC[N@H+]1C ZINC000968866168 1336071891 /nfs/dbraw/zinc/07/18/91/1336071891.db2.gz CKHJHVQQBMEMEH-CEXWTWQISA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC=C(C)C)CC[NH+]1C ZINC000968866168 1336071893 /nfs/dbraw/zinc/07/18/93/1336071893.db2.gz CKHJHVQQBMEMEH-CEXWTWQISA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC=C(C)C)CC[NH+]1C ZINC000968866168 1336071896 /nfs/dbraw/zinc/07/18/96/1336071896.db2.gz CKHJHVQQBMEMEH-CEXWTWQISA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCC1 ZINC000968882014 1336078046 /nfs/dbraw/zinc/07/80/46/1336078046.db2.gz DZHPHNACAHSDGE-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCCC1 ZINC000968882014 1336078047 /nfs/dbraw/zinc/07/80/47/1336078047.db2.gz DZHPHNACAHSDGE-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCCC1 ZINC000968882014 1336078049 /nfs/dbraw/zinc/07/80/49/1336078049.db2.gz DZHPHNACAHSDGE-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC000968921922 1336089484 /nfs/dbraw/zinc/08/94/84/1336089484.db2.gz MYMKRELIYPXXRE-ZWKOTPCHSA-N 2 1 343.515 3.039 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ccc(Cl)cc1 ZINC000968921756 1336090040 /nfs/dbraw/zinc/09/00/40/1336090040.db2.gz IJEPYLOPICLKAG-WMLDXEAASA-N 2 1 349.906 3.076 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCC1 ZINC000969059868 1336133471 /nfs/dbraw/zinc/13/34/71/1336133471.db2.gz TWLHJBYDZQLCEI-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCC1 ZINC000969059868 1336133473 /nfs/dbraw/zinc/13/34/73/1336133473.db2.gz TWLHJBYDZQLCEI-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCC1 ZINC000969059868 1336133476 /nfs/dbraw/zinc/13/34/76/1336133476.db2.gz TWLHJBYDZQLCEI-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CC1 ZINC000969156303 1336166173 /nfs/dbraw/zinc/16/61/73/1336166173.db2.gz PAQVLHBBLLZANW-LJQANCHMSA-N 2 1 343.515 3.133 20 0 EGADMP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1C[NH+](CC2CCC2)C1 ZINC000970324971 1336294679 /nfs/dbraw/zinc/29/46/79/1336294679.db2.gz BCXWDUJNMCRJPA-UZLBHIALSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C2CC[NH+](CC3CCCC3)CC2)C1 ZINC001005490367 1336360671 /nfs/dbraw/zinc/36/06/71/1336360671.db2.gz AHDHBKGASSZEMD-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2CCC2)CC1 ZINC001006278487 1336480714 /nfs/dbraw/zinc/48/07/14/1336480714.db2.gz LLDWPFAYXAOVMB-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001007457131 1336650171 /nfs/dbraw/zinc/65/01/71/1336650171.db2.gz IORXAIJZAWWIKQ-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001007457131 1336650173 /nfs/dbraw/zinc/65/01/73/1336650173.db2.gz IORXAIJZAWWIKQ-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001007457131 1336650175 /nfs/dbraw/zinc/65/01/75/1336650175.db2.gz IORXAIJZAWWIKQ-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001007457132 1336650279 /nfs/dbraw/zinc/65/02/79/1336650279.db2.gz IORXAIJZAWWIKQ-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001007457132 1336650283 /nfs/dbraw/zinc/65/02/83/1336650283.db2.gz IORXAIJZAWWIKQ-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001007457132 1336650286 /nfs/dbraw/zinc/65/02/86/1336650286.db2.gz IORXAIJZAWWIKQ-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007458165 1336651419 /nfs/dbraw/zinc/65/14/19/1336651419.db2.gz VLPXXXXTEAUBTB-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001007458165 1336651423 /nfs/dbraw/zinc/65/14/23/1336651423.db2.gz VLPXXXXTEAUBTB-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007501190 1336658369 /nfs/dbraw/zinc/65/83/69/1336658369.db2.gz WMECXOVLJRPEFX-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007501190 1336658373 /nfs/dbraw/zinc/65/83/73/1336658373.db2.gz WMECXOVLJRPEFX-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007501190 1336658374 /nfs/dbraw/zinc/65/83/74/1336658374.db2.gz WMECXOVLJRPEFX-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCC2CCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001007618627 1336678636 /nfs/dbraw/zinc/67/86/36/1336678636.db2.gz KPQHKZWMIYVTBB-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001007649683 1336684075 /nfs/dbraw/zinc/68/40/75/1336684075.db2.gz WTTHIKHRQRYKJK-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001007649683 1336684077 /nfs/dbraw/zinc/68/40/77/1336684077.db2.gz WTTHIKHRQRYKJK-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001007649683 1336684079 /nfs/dbraw/zinc/68/40/79/1336684079.db2.gz WTTHIKHRQRYKJK-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001008042029 1336756676 /nfs/dbraw/zinc/75/66/76/1336756676.db2.gz ALCHNYOARRLULW-WOJBJXKFSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCCC2CCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001008053097 1336759370 /nfs/dbraw/zinc/75/93/70/1336759370.db2.gz RFNWNJYNUFVFPG-UXHICEINSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001008164965 1336782879 /nfs/dbraw/zinc/78/28/79/1336782879.db2.gz VGQACYSLIHCCKU-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](CC(CC)CC)C2)C1 ZINC001008276530 1336812273 /nfs/dbraw/zinc/81/22/73/1336812273.db2.gz MKOHZUZQYJJBAJ-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(CC)CC)C2)C1 ZINC001008276530 1336812274 /nfs/dbraw/zinc/81/22/74/1336812274.db2.gz MKOHZUZQYJJBAJ-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(CC)CC)C2)C1 ZINC001008276530 1336812275 /nfs/dbraw/zinc/81/22/75/1336812275.db2.gz MKOHZUZQYJJBAJ-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001008536964 1336877320 /nfs/dbraw/zinc/87/73/20/1336877320.db2.gz CCQJGDCDCLYMAP-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001008536964 1336877322 /nfs/dbraw/zinc/87/73/22/1336877322.db2.gz CCQJGDCDCLYMAP-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001008536964 1336877325 /nfs/dbraw/zinc/87/73/25/1336877325.db2.gz CCQJGDCDCLYMAP-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008759514 1336921198 /nfs/dbraw/zinc/92/11/98/1336921198.db2.gz DEMBRCQYLUBHPJ-YLJYHZDGSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001008769106 1336923485 /nfs/dbraw/zinc/92/34/85/1336923485.db2.gz OUJXRRBUFIDGPW-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001008769106 1336923489 /nfs/dbraw/zinc/92/34/89/1336923489.db2.gz OUJXRRBUFIDGPW-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001008769106 1336923492 /nfs/dbraw/zinc/92/34/92/1336923492.db2.gz OUJXRRBUFIDGPW-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014415566 1337771621 /nfs/dbraw/zinc/77/16/21/1337771621.db2.gz VMLOZZKVMFBHNC-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001014415566 1337771623 /nfs/dbraw/zinc/77/16/23/1337771623.db2.gz VMLOZZKVMFBHNC-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001014415566 1337771626 /nfs/dbraw/zinc/77/16/26/1337771626.db2.gz VMLOZZKVMFBHNC-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001014606601 1337845874 /nfs/dbraw/zinc/84/58/74/1337845874.db2.gz GTBSVYFSIPRBPJ-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001014606601 1337845879 /nfs/dbraw/zinc/84/58/79/1337845879.db2.gz GTBSVYFSIPRBPJ-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001014635689 1337854271 /nfs/dbraw/zinc/85/42/71/1337854271.db2.gz XFBMFIFSFVZVTA-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001014635689 1337854276 /nfs/dbraw/zinc/85/42/76/1337854276.db2.gz XFBMFIFSFVZVTA-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001014635689 1337854279 /nfs/dbraw/zinc/85/42/79/1337854279.db2.gz XFBMFIFSFVZVTA-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCC3CCCCC3)C2)C1 ZINC001015596259 1338200232 /nfs/dbraw/zinc/20/02/32/1338200232.db2.gz AEFCILHQKURZIY-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CCC3CCCCC3)C2)C1 ZINC001015596259 1338200236 /nfs/dbraw/zinc/20/02/36/1338200236.db2.gz AEFCILHQKURZIY-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001015596259 1338200242 /nfs/dbraw/zinc/20/02/42/1338200242.db2.gz AEFCILHQKURZIY-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001015597186 1338200892 /nfs/dbraw/zinc/20/08/92/1338200892.db2.gz NVMASJBCRMLTBA-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001015597186 1338200894 /nfs/dbraw/zinc/20/08/94/1338200894.db2.gz NVMASJBCRMLTBA-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001015597186 1338200897 /nfs/dbraw/zinc/20/08/97/1338200897.db2.gz NVMASJBCRMLTBA-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001015622369 1338211919 /nfs/dbraw/zinc/21/19/19/1338211919.db2.gz GJXNDCHQDDPEAW-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001015622369 1338211922 /nfs/dbraw/zinc/21/19/22/1338211922.db2.gz GJXNDCHQDDPEAW-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)[NH+]3CCCCCC3)C2)cs1 ZINC001015794858 1338314272 /nfs/dbraw/zinc/31/42/72/1338314272.db2.gz JOPXRDVHMSFOIG-WMZOPIPTSA-N 2 1 349.544 3.012 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001016830763 1338740378 /nfs/dbraw/zinc/74/03/78/1338740378.db2.gz VIVZCCIMTZWRTM-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001017208438 1338954507 /nfs/dbraw/zinc/95/45/07/1338954507.db2.gz HHJUHRPGZQPWMR-MSOLQXFVSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001017208438 1338954511 /nfs/dbraw/zinc/95/45/11/1338954511.db2.gz HHJUHRPGZQPWMR-MSOLQXFVSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001017208438 1338954516 /nfs/dbraw/zinc/95/45/16/1338954516.db2.gz HHJUHRPGZQPWMR-MSOLQXFVSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001017209582 1338955953 /nfs/dbraw/zinc/95/59/53/1338955953.db2.gz QRLCBBQHCOCWCI-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001017209582 1338955957 /nfs/dbraw/zinc/95/59/57/1338955957.db2.gz QRLCBBQHCOCWCI-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001017209582 1338955959 /nfs/dbraw/zinc/95/59/59/1338955959.db2.gz QRLCBBQHCOCWCI-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](C[N@@H+](C)CC3CCC3)C2)CC1 ZINC001017243331 1338974292 /nfs/dbraw/zinc/97/42/92/1338974292.db2.gz ITGVVSFUMDPXFR-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001017246059 1338976773 /nfs/dbraw/zinc/97/67/73/1338976773.db2.gz LOQGOIRUJKPLCZ-WIYYLYMNSA-N 2 1 345.531 3.042 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H](C[N@@H+](C)C(C)C)C2)o1 ZINC001017264820 1338990476 /nfs/dbraw/zinc/99/04/76/1338990476.db2.gz SPGNGBQXYJPVFY-KRWDZBQOSA-N 2 1 349.519 3.314 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001018310060 1339571521 /nfs/dbraw/zinc/57/15/21/1339571521.db2.gz DUJCMRCAJXHKNR-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCCC2CCCC2)CC[N@H+]1C ZINC001028097807 1340424888 /nfs/dbraw/zinc/42/48/88/1340424888.db2.gz FURHDVJKXIPLIT-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCCC2CCCC2)CC[NH+]1C ZINC001028097807 1340424893 /nfs/dbraw/zinc/42/48/93/1340424893.db2.gz FURHDVJKXIPLIT-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCCC2CCCC2)CC[NH+]1C ZINC001028097807 1340424896 /nfs/dbraw/zinc/42/48/96/1340424896.db2.gz FURHDVJKXIPLIT-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CC3CCCCCC3)C2)CC[N@H+]1C ZINC001028552565 1340696884 /nfs/dbraw/zinc/69/68/84/1340696884.db2.gz QGPMILFAQKXLLP-HSALFYBXSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001028552565 1340696895 /nfs/dbraw/zinc/69/68/95/1340696895.db2.gz QGPMILFAQKXLLP-HSALFYBXSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001028552565 1340696903 /nfs/dbraw/zinc/69/69/03/1340696903.db2.gz QGPMILFAQKXLLP-HSALFYBXSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+](CCCC3CCCC3)C2)CC[N@H+]1C ZINC001028762279 1340797434 /nfs/dbraw/zinc/79/74/34/1340797434.db2.gz IRTLYCUAGSOYGD-SXLOBPIMSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001028762279 1340797444 /nfs/dbraw/zinc/79/74/44/1340797444.db2.gz IRTLYCUAGSOYGD-SXLOBPIMSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001028762279 1340797452 /nfs/dbraw/zinc/79/74/52/1340797452.db2.gz IRTLYCUAGSOYGD-SXLOBPIMSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001029330285 1340972941 /nfs/dbraw/zinc/97/29/41/1340972941.db2.gz KHVKGNOSSMBBPM-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001029330285 1340972942 /nfs/dbraw/zinc/97/29/42/1340972942.db2.gz KHVKGNOSSMBBPM-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001029330285 1340972943 /nfs/dbraw/zinc/97/29/43/1340972943.db2.gz KHVKGNOSSMBBPM-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001029595255 1341018714 /nfs/dbraw/zinc/01/87/14/1341018714.db2.gz FDIVYYJOCOHQCW-TZRIAGMCSA-N 2 1 347.547 3.115 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001029595255 1341018717 /nfs/dbraw/zinc/01/87/17/1341018717.db2.gz FDIVYYJOCOHQCW-TZRIAGMCSA-N 2 1 347.547 3.115 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001029595255 1341018718 /nfs/dbraw/zinc/01/87/18/1341018718.db2.gz FDIVYYJOCOHQCW-TZRIAGMCSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029738758 1341059370 /nfs/dbraw/zinc/05/93/70/1341059370.db2.gz DCTPMXXEPVZCAX-UXHICEINSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001029738758 1341059371 /nfs/dbraw/zinc/05/93/71/1341059371.db2.gz DCTPMXXEPVZCAX-UXHICEINSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001029738758 1341059373 /nfs/dbraw/zinc/05/93/73/1341059373.db2.gz DCTPMXXEPVZCAX-UXHICEINSA-N 2 1 347.547 3.140 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001029800789 1341077016 /nfs/dbraw/zinc/07/70/16/1341077016.db2.gz ZJNXNBXUDDOKBZ-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP C[N@@H+](C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)CC1CCCCC1 ZINC001029861783 1341098875 /nfs/dbraw/zinc/09/88/75/1341098875.db2.gz RPYORVKYBZXRFQ-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@@H+](C[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1)CC1CCCCCC1 ZINC001029887524 1341105421 /nfs/dbraw/zinc/10/54/21/1341105421.db2.gz MZZUCGOJPSMBLN-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)CC1CCCCCC1 ZINC001029887524 1341105422 /nfs/dbraw/zinc/10/54/22/1341105422.db2.gz MZZUCGOJPSMBLN-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1)CC1CCCCCC1 ZINC001029887524 1341105423 /nfs/dbraw/zinc/10/54/23/1341105423.db2.gz MZZUCGOJPSMBLN-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001029910688 1341113716 /nfs/dbraw/zinc/11/37/16/1341113716.db2.gz VWMBIGIXIXTBCQ-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001029944663 1341130370 /nfs/dbraw/zinc/13/03/70/1341130370.db2.gz PAGJJXKDXSTIOJ-XLIONFOSSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001029944663 1341130371 /nfs/dbraw/zinc/13/03/71/1341130371.db2.gz PAGJJXKDXSTIOJ-XLIONFOSSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001029944663 1341130372 /nfs/dbraw/zinc/13/03/72/1341130372.db2.gz PAGJJXKDXSTIOJ-XLIONFOSSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001029944662 1341130415 /nfs/dbraw/zinc/13/04/15/1341130415.db2.gz PAGJJXKDXSTIOJ-PXNSSMCTSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001029944662 1341130416 /nfs/dbraw/zinc/13/04/16/1341130416.db2.gz PAGJJXKDXSTIOJ-PXNSSMCTSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001029944662 1341130417 /nfs/dbraw/zinc/13/04/17/1341130417.db2.gz PAGJJXKDXSTIOJ-PXNSSMCTSA-N 2 1 343.515 3.012 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+](C)CC2CC2)CC1 ZINC001030010234 1341156990 /nfs/dbraw/zinc/15/69/90/1341156990.db2.gz JMNKWQHLWKMATK-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CC2CC2)CC1 ZINC001030010234 1341156991 /nfs/dbraw/zinc/15/69/91/1341156991.db2.gz JMNKWQHLWKMATK-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CC2CC2)CC1 ZINC001030010234 1341156993 /nfs/dbraw/zinc/15/69/93/1341156993.db2.gz JMNKWQHLWKMATK-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030026244 1341160656 /nfs/dbraw/zinc/16/06/56/1341160656.db2.gz OOZQPBNYCROQSR-AABGKKOBSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030026244 1341160657 /nfs/dbraw/zinc/16/06/57/1341160657.db2.gz OOZQPBNYCROQSR-AABGKKOBSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030026244 1341160658 /nfs/dbraw/zinc/16/06/58/1341160658.db2.gz OOZQPBNYCROQSR-AABGKKOBSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030026244 1341160659 /nfs/dbraw/zinc/16/06/59/1341160659.db2.gz OOZQPBNYCROQSR-AABGKKOBSA-N 2 1 343.515 3.203 20 0 EGADMP O=C(NC1C[NH+](CCCC2CCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001030445224 1341187985 /nfs/dbraw/zinc/18/79/85/1341187985.db2.gz UFQPOYQSESTBQT-FQEVSTJZSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC1C[NH+](CCCC2CCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001030445224 1341187986 /nfs/dbraw/zinc/18/79/86/1341187986.db2.gz UFQPOYQSESTBQT-FQEVSTJZSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001031258956 1341306215 /nfs/dbraw/zinc/30/62/15/1341306215.db2.gz VTCNLGQYUVOGSE-IAGOWNOFSA-N 2 1 343.515 3.013 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001031258956 1341306216 /nfs/dbraw/zinc/30/62/16/1341306216.db2.gz VTCNLGQYUVOGSE-IAGOWNOFSA-N 2 1 343.515 3.013 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCC2CCCC2)C1 ZINC001031801412 1341403834 /nfs/dbraw/zinc/40/38/34/1341403834.db2.gz FYFVTYYOEBYIIV-FQEVSTJZSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC1CCCC1 ZINC001032433300 1341511103 /nfs/dbraw/zinc/51/11/03/1341511103.db2.gz NFYZVNUGCYDHJM-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCCC1 ZINC001032433300 1341511113 /nfs/dbraw/zinc/51/11/13/1341511113.db2.gz NFYZVNUGCYDHJM-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCCC1 ZINC001032433300 1341511119 /nfs/dbraw/zinc/51/11/19/1341511119.db2.gz NFYZVNUGCYDHJM-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C ZINC001032430876 1341511529 /nfs/dbraw/zinc/51/15/29/1341511529.db2.gz HDGKSMGXMGJPEC-HOTGVXAUSA-N 2 1 349.544 3.145 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C ZINC001032430876 1341511531 /nfs/dbraw/zinc/51/15/31/1341511531.db2.gz HDGKSMGXMGJPEC-HOTGVXAUSA-N 2 1 349.544 3.145 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCC1 ZINC001032445942 1341512889 /nfs/dbraw/zinc/51/28/89/1341512889.db2.gz RUWVRCPVUFULFL-UFYCRDLUSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCC1 ZINC001032445942 1341512890 /nfs/dbraw/zinc/51/28/90/1341512890.db2.gz RUWVRCPVUFULFL-UFYCRDLUSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCC1 ZINC001032445942 1341512891 /nfs/dbraw/zinc/51/28/91/1341512891.db2.gz RUWVRCPVUFULFL-UFYCRDLUSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001033098793 1341722101 /nfs/dbraw/zinc/72/21/01/1341722101.db2.gz KHDDNJFVATXCNX-HSALFYBXSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001033098793 1341722102 /nfs/dbraw/zinc/72/21/02/1341722102.db2.gz KHDDNJFVATXCNX-HSALFYBXSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001033098793 1341722103 /nfs/dbraw/zinc/72/21/03/1341722103.db2.gz KHDDNJFVATXCNX-HSALFYBXSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033125180 1341733068 /nfs/dbraw/zinc/73/30/68/1341733068.db2.gz AHDMHXOXAUKZKK-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033125180 1341733069 /nfs/dbraw/zinc/73/30/69/1341733069.db2.gz AHDMHXOXAUKZKK-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033125180 1341733070 /nfs/dbraw/zinc/73/30/70/1341733070.db2.gz AHDMHXOXAUKZKK-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)[C@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001033143539 1341738143 /nfs/dbraw/zinc/73/81/43/1341738143.db2.gz HMMOJCLSDQQFDK-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCC3CCCC3)C2)C1 ZINC001033143539 1341738145 /nfs/dbraw/zinc/73/81/45/1341738145.db2.gz HMMOJCLSDQQFDK-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001033143539 1341738150 /nfs/dbraw/zinc/73/81/50/1341738150.db2.gz HMMOJCLSDQQFDK-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033144955 1341738864 /nfs/dbraw/zinc/73/88/64/1341738864.db2.gz CWLBYKFJHWQHEB-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033144955 1341738865 /nfs/dbraw/zinc/73/88/65/1341738865.db2.gz CWLBYKFJHWQHEB-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033144955 1341738868 /nfs/dbraw/zinc/73/88/68/1341738868.db2.gz CWLBYKFJHWQHEB-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033145833 1341738913 /nfs/dbraw/zinc/73/89/13/1341738913.db2.gz KRFOQXOMIVNUGL-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033145833 1341738914 /nfs/dbraw/zinc/73/89/14/1341738914.db2.gz KRFOQXOMIVNUGL-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033145833 1341738915 /nfs/dbraw/zinc/73/89/15/1341738915.db2.gz KRFOQXOMIVNUGL-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033144678 1341738936 /nfs/dbraw/zinc/73/89/36/1341738936.db2.gz ACYLNSCIILJZMP-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033144678 1341738937 /nfs/dbraw/zinc/73/89/37/1341738937.db2.gz ACYLNSCIILJZMP-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033144678 1341738938 /nfs/dbraw/zinc/73/89/38/1341738938.db2.gz ACYLNSCIILJZMP-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001033354084 1341793962 /nfs/dbraw/zinc/79/39/62/1341793962.db2.gz NCRDNYQWSROBCJ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001033354084 1341793963 /nfs/dbraw/zinc/79/39/63/1341793963.db2.gz NCRDNYQWSROBCJ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001033354084 1341793964 /nfs/dbraw/zinc/79/39/64/1341793964.db2.gz NCRDNYQWSROBCJ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033427027 1341822085 /nfs/dbraw/zinc/82/20/85/1341822085.db2.gz XDEVHNNUTVNXEW-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033427027 1341822088 /nfs/dbraw/zinc/82/20/88/1341822088.db2.gz XDEVHNNUTVNXEW-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033427027 1341822089 /nfs/dbraw/zinc/82/20/89/1341822089.db2.gz XDEVHNNUTVNXEW-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033466920 1341837706 /nfs/dbraw/zinc/83/77/06/1341837706.db2.gz JBGZEJOJZWPQEV-PKOBYXMFSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001033467723 1341837887 /nfs/dbraw/zinc/83/78/87/1341837887.db2.gz RBXJILBLWOOSIL-AZUAARDMSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001033552264 1341868008 /nfs/dbraw/zinc/86/80/08/1341868008.db2.gz UZSPAUFQKKOWNK-HXUWFJFHSA-N 2 1 347.547 3.140 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033826251 1342027473 /nfs/dbraw/zinc/02/74/73/1342027473.db2.gz NNEAMBDNROKMRT-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033826251 1342027475 /nfs/dbraw/zinc/02/74/75/1342027475.db2.gz NNEAMBDNROKMRT-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033826251 1342027477 /nfs/dbraw/zinc/02/74/77/1342027477.db2.gz NNEAMBDNROKMRT-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033832900 1342032712 /nfs/dbraw/zinc/03/27/12/1342032712.db2.gz BIZUMWCVRYYSKO-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033832900 1342032714 /nfs/dbraw/zinc/03/27/14/1342032714.db2.gz BIZUMWCVRYYSKO-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033832900 1342032716 /nfs/dbraw/zinc/03/27/16/1342032716.db2.gz BIZUMWCVRYYSKO-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033832932 1342033061 /nfs/dbraw/zinc/03/30/61/1342033061.db2.gz BYCWWTXLTUDZIF-YZGWKJHDSA-N 2 1 347.547 3.140 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033832932 1342033067 /nfs/dbraw/zinc/03/30/67/1342033067.db2.gz BYCWWTXLTUDZIF-YZGWKJHDSA-N 2 1 347.547 3.140 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033832932 1342033068 /nfs/dbraw/zinc/03/30/68/1342033068.db2.gz BYCWWTXLTUDZIF-YZGWKJHDSA-N 2 1 347.547 3.140 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033833950 1342034244 /nfs/dbraw/zinc/03/42/44/1342034244.db2.gz BACWPYZLTPTQDK-CEXWTWQISA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033833950 1342034248 /nfs/dbraw/zinc/03/42/48/1342034248.db2.gz BACWPYZLTPTQDK-CEXWTWQISA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033833950 1342034252 /nfs/dbraw/zinc/03/42/52/1342034252.db2.gz BACWPYZLTPTQDK-CEXWTWQISA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC001033988386 1342132830 /nfs/dbraw/zinc/13/28/30/1342132830.db2.gz DNVDIHGOKDIWLG-VQIMIIECSA-N 2 1 349.494 3.033 20 0 EGADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001034037775 1342177417 /nfs/dbraw/zinc/17/74/17/1342177417.db2.gz FGWUGCAVOJHTQH-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001034037775 1342177421 /nfs/dbraw/zinc/17/74/21/1342177421.db2.gz FGWUGCAVOJHTQH-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001034037775 1342177423 /nfs/dbraw/zinc/17/74/23/1342177423.db2.gz FGWUGCAVOJHTQH-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](CC2CC2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001034210778 1342320315 /nfs/dbraw/zinc/32/03/15/1342320315.db2.gz JNVAQZLTPJYWQX-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@@H]1CCCC[NH+](CC2CC2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001034210778 1342320318 /nfs/dbraw/zinc/32/03/18/1342320318.db2.gz JNVAQZLTPJYWQX-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@@H]1CCCC[NH+](CC2CC2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001034210778 1342320321 /nfs/dbraw/zinc/32/03/21/1342320321.db2.gz JNVAQZLTPJYWQX-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034211770 1342321378 /nfs/dbraw/zinc/32/13/78/1342321378.db2.gz OFVIQVYAOLKMFW-GOSISDBHSA-N 2 1 335.536 3.188 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCCC[N@H+](CC2CCC2)C1 ZINC001034228669 1342333147 /nfs/dbraw/zinc/33/31/47/1342333147.db2.gz HKVTZAZDULEAMY-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCC2)C1 ZINC001034228669 1342333151 /nfs/dbraw/zinc/33/31/51/1342333151.db2.gz HKVTZAZDULEAMY-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034239062 1342340261 /nfs/dbraw/zinc/34/02/61/1342340261.db2.gz HMRAVIIHVFWAGP-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2=CCCCC2)C1 ZINC001034239062 1342340263 /nfs/dbraw/zinc/34/02/63/1342340263.db2.gz HMRAVIIHVFWAGP-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2=CCCCC2)C1 ZINC001034239062 1342340268 /nfs/dbraw/zinc/34/02/68/1342340268.db2.gz HMRAVIIHVFWAGP-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034248563 1342346989 /nfs/dbraw/zinc/34/69/89/1342346989.db2.gz DLZQCVRBTLKBCU-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034248563 1342346991 /nfs/dbraw/zinc/34/69/91/1342346991.db2.gz DLZQCVRBTLKBCU-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034248563 1342346993 /nfs/dbraw/zinc/34/69/93/1342346993.db2.gz DLZQCVRBTLKBCU-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP O=C(N[C@H]1CCCC[N@@H+](CC2CCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001034329982 1342404020 /nfs/dbraw/zinc/40/40/20/1342404020.db2.gz KFTSZSUVMHFMMW-VQTJNVASSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034331631 1342406087 /nfs/dbraw/zinc/40/60/87/1342406087.db2.gz UORBRNVXMHVIMK-IBGZPJMESA-N 2 1 345.531 3.031 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3=CCCCC3)C2)CC[N@H+]1C ZINC001034363544 1342434354 /nfs/dbraw/zinc/43/43/54/1342434354.db2.gz ONYYJHPUEJOKEE-YSIASYRMSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CC3=CCCCC3)C2)CC[NH+]1C ZINC001034363544 1342434356 /nfs/dbraw/zinc/43/43/56/1342434356.db2.gz ONYYJHPUEJOKEE-YSIASYRMSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CC3=CCCCC3)C2)CC[NH+]1C ZINC001034363544 1342434359 /nfs/dbraw/zinc/43/43/59/1342434359.db2.gz ONYYJHPUEJOKEE-YSIASYRMSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034395710 1342463611 /nfs/dbraw/zinc/46/36/11/1342463611.db2.gz BWMHWGWNRFNMLJ-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](CCC2CCCCC2)C1 ZINC001034395710 1342463613 /nfs/dbraw/zinc/46/36/13/1342463613.db2.gz BWMHWGWNRFNMLJ-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001034395710 1342463615 /nfs/dbraw/zinc/46/36/15/1342463615.db2.gz BWMHWGWNRFNMLJ-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034398125 1342464576 /nfs/dbraw/zinc/46/45/76/1342464576.db2.gz MHRLDBJLCCLXDW-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](CCCC2CCCC2)C1 ZINC001034398125 1342464579 /nfs/dbraw/zinc/46/45/79/1342464579.db2.gz MHRLDBJLCCLXDW-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](CCCC2CCCC2)C1 ZINC001034398125 1342464583 /nfs/dbraw/zinc/46/45/83/1342464583.db2.gz MHRLDBJLCCLXDW-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001034491294 1342548129 /nfs/dbraw/zinc/54/81/29/1342548129.db2.gz RYKMPQXENURDNJ-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCCC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001034491294 1342548132 /nfs/dbraw/zinc/54/81/32/1342548132.db2.gz RYKMPQXENURDNJ-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCCC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001034491294 1342548135 /nfs/dbraw/zinc/54/81/35/1342548135.db2.gz RYKMPQXENURDNJ-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](CC2CCCCC2)C1)[C@@]12CC[NH+](C1)CCC2 ZINC001034508025 1342566936 /nfs/dbraw/zinc/56/69/36/1342566936.db2.gz YUHGURLMLSASKS-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(N[C@@H]1CCCC[NH+](CC2CCCCC2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001034508025 1342566938 /nfs/dbraw/zinc/56/69/38/1342566938.db2.gz YUHGURLMLSASKS-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(N[C@@H]1CCCC[NH+](CC2CCCCC2)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001034508025 1342566940 /nfs/dbraw/zinc/56/69/40/1342566940.db2.gz YUHGURLMLSASKS-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001034525201 1342582791 /nfs/dbraw/zinc/58/27/91/1342582791.db2.gz KCMWCWQQVZAUKO-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001034525201 1342582794 /nfs/dbraw/zinc/58/27/94/1342582794.db2.gz KCMWCWQQVZAUKO-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001034525201 1342582797 /nfs/dbraw/zinc/58/27/97/1342582797.db2.gz KCMWCWQQVZAUKO-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001034525202 1342582955 /nfs/dbraw/zinc/58/29/55/1342582955.db2.gz KCMWCWQQVZAUKO-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001034525202 1342582959 /nfs/dbraw/zinc/58/29/59/1342582959.db2.gz KCMWCWQQVZAUKO-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001034525202 1342582964 /nfs/dbraw/zinc/58/29/64/1342582964.db2.gz KCMWCWQQVZAUKO-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034544965 1342605512 /nfs/dbraw/zinc/60/55/12/1342605512.db2.gz WROOLLIROGDNRI-MSOLQXFVSA-N 2 1 349.494 3.081 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001034672623 1342683820 /nfs/dbraw/zinc/68/38/20/1342683820.db2.gz PRLGVTGJJPBOCQ-FHWLQOOXSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1)c1ccccc1 ZINC001034775482 1342753537 /nfs/dbraw/zinc/75/35/37/1342753537.db2.gz ASDJVFNERKTPHO-HNJRGHQBSA-N 2 1 343.515 3.106 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001034962465 1342855079 /nfs/dbraw/zinc/85/50/79/1342855079.db2.gz RRAIJWQEMDMOQG-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001035022388 1342881739 /nfs/dbraw/zinc/88/17/39/1342881739.db2.gz CHCGRXBNKJBJCD-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1)c1ccccc1 ZINC001035134758 1342950119 /nfs/dbraw/zinc/95/01/19/1342950119.db2.gz RTEXMMJTTLXFMC-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035194026 1343008018 /nfs/dbraw/zinc/00/80/18/1343008018.db2.gz STKZKIANKGGYHX-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035194026 1343008021 /nfs/dbraw/zinc/00/80/21/1343008021.db2.gz STKZKIANKGGYHX-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035194026 1343008025 /nfs/dbraw/zinc/00/80/25/1343008025.db2.gz STKZKIANKGGYHX-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C(=O)N1CCC2(CC[N@@H+](CC3=CCCCC3)C2)CC1)[NH+](C)C ZINC001035197703 1343010275 /nfs/dbraw/zinc/01/02/75/1343010275.db2.gz RWWFRIFFLMPUFP-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035741372 1343163025 /nfs/dbraw/zinc/16/30/25/1343163025.db2.gz MEKKZKIXTIJBIP-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC2CCCC2)[C@H](C)C1 ZINC001036208183 1343364276 /nfs/dbraw/zinc/36/42/76/1343364276.db2.gz OAUFERMIEZMILJ-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820386 1343758543 /nfs/dbraw/zinc/75/85/43/1343758543.db2.gz IBWCGKWIZDSGNC-ZWKOTPCHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820386 1343758548 /nfs/dbraw/zinc/75/85/48/1343758548.db2.gz IBWCGKWIZDSGNC-ZWKOTPCHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820386 1343758550 /nfs/dbraw/zinc/75/85/50/1343758550.db2.gz IBWCGKWIZDSGNC-ZWKOTPCHSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036903242 1343850049 /nfs/dbraw/zinc/85/00/49/1343850049.db2.gz XNEZBJZTYHVGPF-UYAOXDASSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036904505 1343852009 /nfs/dbraw/zinc/85/20/09/1343852009.db2.gz SQZNGLFGGSFDAD-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1[NH2+]C(C)C ZINC001037871553 1344153252 /nfs/dbraw/zinc/15/32/52/1344153252.db2.gz CLNFVSLJKYTGPV-SJLPKXTDSA-N 2 1 337.552 3.265 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248785 1344344394 /nfs/dbraw/zinc/34/43/94/1344344394.db2.gz PQCWNGRQGMMIAM-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248785 1344344397 /nfs/dbraw/zinc/34/43/97/1344344397.db2.gz PQCWNGRQGMMIAM-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248785 1344344399 /nfs/dbraw/zinc/34/43/99/1344344399.db2.gz PQCWNGRQGMMIAM-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CC1=CCCCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038354558 1344395327 /nfs/dbraw/zinc/39/53/27/1344395327.db2.gz UMLWEMCICTUOSQ-UXHICEINSA-N 2 1 345.531 3.084 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CC1=CCCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038354558 1344395331 /nfs/dbraw/zinc/39/53/31/1344395331.db2.gz UMLWEMCICTUOSQ-UXHICEINSA-N 2 1 345.531 3.084 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CC1=CCCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038354558 1344395335 /nfs/dbraw/zinc/39/53/35/1344395335.db2.gz UMLWEMCICTUOSQ-UXHICEINSA-N 2 1 345.531 3.084 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC(C)(C)C ZINC001038908415 1344646576 /nfs/dbraw/zinc/64/65/76/1344646576.db2.gz JYJQMKMQVKZXIL-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001038908415 1344646578 /nfs/dbraw/zinc/64/65/78/1344646578.db2.gz JYJQMKMQVKZXIL-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001038908415 1344646583 /nfs/dbraw/zinc/64/65/83/1344646583.db2.gz JYJQMKMQVKZXIL-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+]2CCC2CCCC2)c1 ZINC001039040523 1344728138 /nfs/dbraw/zinc/72/81/38/1344728138.db2.gz RNHHGNHDRZLCBV-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCCC1 ZINC001039051420 1344735962 /nfs/dbraw/zinc/73/59/62/1344735962.db2.gz VSSNAEGAQLCRQU-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCCC1 ZINC001039051420 1344735966 /nfs/dbraw/zinc/73/59/66/1344735966.db2.gz VSSNAEGAQLCRQU-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001039051420 1344735967 /nfs/dbraw/zinc/73/59/67/1344735967.db2.gz VSSNAEGAQLCRQU-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039150595 1344834526 /nfs/dbraw/zinc/83/45/26/1344834526.db2.gz ACHGWSIXFIPLNS-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC001039150595 1344834531 /nfs/dbraw/zinc/83/45/31/1344834531.db2.gz ACHGWSIXFIPLNS-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC001039150595 1344834539 /nfs/dbraw/zinc/83/45/39/1344834539.db2.gz ACHGWSIXFIPLNS-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039179861 1344875924 /nfs/dbraw/zinc/87/59/24/1344875924.db2.gz HQTWQQMXVPDOPZ-UXHICEINSA-N 2 1 349.563 3.099 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039226308 1344944876 /nfs/dbraw/zinc/94/48/76/1344944876.db2.gz WEDBGZFEMFPTPO-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039227350 1344945887 /nfs/dbraw/zinc/94/58/87/1344945887.db2.gz CNDKOZKHKAFRLS-LPHOPBHVSA-N 2 1 340.471 3.059 20 0 EGADMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001039282991 1344995853 /nfs/dbraw/zinc/99/58/53/1344995853.db2.gz YMPUNQBDXYTACB-XVLXNVKGSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039375728 1345033556 /nfs/dbraw/zinc/03/35/56/1345033556.db2.gz UVYSZOPBHSPGLL-QRVBRYPASA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001039425754 1345062645 /nfs/dbraw/zinc/06/26/45/1345062645.db2.gz TYJUPJFYQKFNAJ-JQHSSLGASA-N 2 1 347.503 3.066 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001039425754 1345062648 /nfs/dbraw/zinc/06/26/48/1345062648.db2.gz TYJUPJFYQKFNAJ-JQHSSLGASA-N 2 1 347.503 3.066 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001039474377 1345089061 /nfs/dbraw/zinc/08/90/61/1345089061.db2.gz FFLNUGYXGVPQSJ-AABGKKOBSA-N 2 1 347.547 3.138 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001039528576 1345131018 /nfs/dbraw/zinc/13/10/18/1345131018.db2.gz PJWLJGCHLXFUKN-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001039528576 1345131020 /nfs/dbraw/zinc/13/10/20/1345131020.db2.gz PJWLJGCHLXFUKN-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001039528576 1345131021 /nfs/dbraw/zinc/13/10/21/1345131021.db2.gz PJWLJGCHLXFUKN-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001039685425 1345158668 /nfs/dbraw/zinc/15/86/68/1345158668.db2.gz MSUYMESFSHETCD-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001039685425 1345158671 /nfs/dbraw/zinc/15/86/71/1345158671.db2.gz MSUYMESFSHETCD-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001039685425 1345158673 /nfs/dbraw/zinc/15/86/73/1345158673.db2.gz MSUYMESFSHETCD-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040211262 1345377424 /nfs/dbraw/zinc/37/74/24/1345377424.db2.gz ZCCBZOMQBUXLBP-OAQYLSRUSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040240793 1345390925 /nfs/dbraw/zinc/39/09/25/1345390925.db2.gz JNKSMLWPHDJDIS-FPOVZHCZSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001040240793 1345390928 /nfs/dbraw/zinc/39/09/28/1345390928.db2.gz JNKSMLWPHDJDIS-FPOVZHCZSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001040240793 1345390931 /nfs/dbraw/zinc/39/09/31/1345390931.db2.gz JNKSMLWPHDJDIS-FPOVZHCZSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001040875052 1345591999 /nfs/dbraw/zinc/59/19/99/1345591999.db2.gz QHQIUVLIAYYLBT-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCC)CC2 ZINC001040912096 1345598807 /nfs/dbraw/zinc/59/88/07/1345598807.db2.gz KLULWPZMIIJTOH-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041846176 1345872121 /nfs/dbraw/zinc/87/21/21/1345872121.db2.gz YTSACMXPOCALNH-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC001041851083 1345872855 /nfs/dbraw/zinc/87/28/55/1345872855.db2.gz ANAURRNQPXDPFY-HXUWFJFHSA-N 2 1 347.503 3.069 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042268257 1346013111 /nfs/dbraw/zinc/01/31/11/1346013111.db2.gz BMEBVPGWQUIADO-ICSRJNTNSA-N 2 1 343.515 3.085 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042268258 1346013152 /nfs/dbraw/zinc/01/31/52/1346013152.db2.gz BMEBVPGWQUIADO-QUCCMNQESA-N 2 1 343.515 3.085 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042365320 1346058001 /nfs/dbraw/zinc/05/80/01/1346058001.db2.gz MZLSQJYTMRSJSP-UYAOXDASSA-N 2 1 343.515 3.085 20 0 EGADMP CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]21 ZINC001042373939 1346062672 /nfs/dbraw/zinc/06/26/72/1346062672.db2.gz FKWGRLDYYCDTTJ-FUHWJXTLSA-N 2 1 347.503 3.068 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C[C@H]1C ZINC001044679793 1346401667 /nfs/dbraw/zinc/40/16/67/1346401667.db2.gz CEVOPHLXLNIGOF-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001045066854 1346489189 /nfs/dbraw/zinc/48/91/89/1346489189.db2.gz FSZSHJGKOLGTOV-UXHICEINSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045068768 1346489449 /nfs/dbraw/zinc/48/94/49/1346489449.db2.gz QBLAWKOHJCTMCZ-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1csc(C)c1 ZINC001045322391 1346559861 /nfs/dbraw/zinc/55/98/61/1346559861.db2.gz PHWLAXFVHKHMCY-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045322573 1346560000 /nfs/dbraw/zinc/56/00/00/1346560000.db2.gz QHSHNLOYUBTHGM-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001045437837 1346593490 /nfs/dbraw/zinc/59/34/90/1346593490.db2.gz GFJJIBVYUIEMAV-GOSISDBHSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](CC3CC(C)(C)C3)CC2)CC[N@H+]1C ZINC001045444871 1346595609 /nfs/dbraw/zinc/59/56/09/1346595609.db2.gz ZUVDXHVPWDXBMC-ZWKOTPCHSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001045585505 1346637627 /nfs/dbraw/zinc/63/76/27/1346637627.db2.gz RYPLQAUMRLZXMY-MSOLQXFVSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001045732345 1346681889 /nfs/dbraw/zinc/68/18/89/1346681889.db2.gz SFYFACYZPVKEIJ-HSALFYBXSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1=CCCCC1 ZINC001045732345 1346681896 /nfs/dbraw/zinc/68/18/96/1346681896.db2.gz SFYFACYZPVKEIJ-HSALFYBXSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1=CCCCC1 ZINC001045732345 1346681900 /nfs/dbraw/zinc/68/19/00/1346681900.db2.gz SFYFACYZPVKEIJ-HSALFYBXSA-N 2 1 345.531 3.036 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921180 1346758851 /nfs/dbraw/zinc/75/88/51/1346758851.db2.gz HDUGPRZMTJRUDE-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001045921180 1346758853 /nfs/dbraw/zinc/75/88/53/1346758853.db2.gz HDUGPRZMTJRUDE-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001045921180 1346758857 /nfs/dbraw/zinc/75/88/57/1346758857.db2.gz HDUGPRZMTJRUDE-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1)[NH+](C)C ZINC001045947302 1346782439 /nfs/dbraw/zinc/78/24/39/1346782439.db2.gz LJPRXUNXHVJHPP-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001045950775 1346785176 /nfs/dbraw/zinc/78/51/76/1346785176.db2.gz LFODVCBWQSFLAS-FQEVSTJZSA-N 2 1 340.471 3.061 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045964992 1346800336 /nfs/dbraw/zinc/80/03/36/1346800336.db2.gz BBJFHDQRSACAPG-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001045964992 1346800338 /nfs/dbraw/zinc/80/03/38/1346800338.db2.gz BBJFHDQRSACAPG-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001045964992 1346800340 /nfs/dbraw/zinc/80/03/40/1346800340.db2.gz BBJFHDQRSACAPG-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001045967538 1346801783 /nfs/dbraw/zinc/80/17/83/1346801783.db2.gz WYODUXZBQGENDS-CTNGQTDRSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045967538 1346801784 /nfs/dbraw/zinc/80/17/84/1346801784.db2.gz WYODUXZBQGENDS-CTNGQTDRSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045967538 1346801785 /nfs/dbraw/zinc/80/17/85/1346801785.db2.gz WYODUXZBQGENDS-CTNGQTDRSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](CCCC3CCC3)C2)C1 ZINC001046375705 1346954288 /nfs/dbraw/zinc/95/42/88/1346954288.db2.gz OTXIJLFWOZLZAU-TZIWHRDSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCCC3CCC3)C2)C1 ZINC001046375705 1346954290 /nfs/dbraw/zinc/95/42/90/1346954290.db2.gz OTXIJLFWOZLZAU-TZIWHRDSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001046375705 1346954292 /nfs/dbraw/zinc/95/42/92/1346954292.db2.gz OTXIJLFWOZLZAU-TZIWHRDSSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@](C)(NC(=O)c3ccc4c[nH+]cn4c3)C2)cc1 ZINC001046487108 1346991884 /nfs/dbraw/zinc/99/18/84/1346991884.db2.gz OKEAVWOYHGKUHA-NRFANRHFSA-N 2 1 348.450 3.037 20 0 EGADMP C[C@@]1(NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+](CC2=CCCCC2)C1 ZINC001046486143 1346992176 /nfs/dbraw/zinc/99/21/76/1346992176.db2.gz HNRMVSPBUBSUPH-HXUWFJFHSA-N 2 1 338.455 3.029 20 0 EGADMP C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001048294285 1347511220 /nfs/dbraw/zinc/51/12/20/1347511220.db2.gz DVCONGBPDJUCJC-AEFFLSMTSA-N 2 1 349.563 3.124 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC1CCCCC1 ZINC001049369411 1347808434 /nfs/dbraw/zinc/80/84/34/1347808434.db2.gz OCYSXRCKQLUDTQ-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CCCCC1 ZINC001049369411 1347808437 /nfs/dbraw/zinc/80/84/37/1347808437.db2.gz OCYSXRCKQLUDTQ-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CCCCC1 ZINC001049369411 1347808440 /nfs/dbraw/zinc/80/84/40/1347808440.db2.gz OCYSXRCKQLUDTQ-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCCC1)C1CCC1 ZINC001049522036 1347890287 /nfs/dbraw/zinc/89/02/87/1347890287.db2.gz NZQVGUNHAZFFKA-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCCC1)C1CCC1 ZINC001049522036 1347890291 /nfs/dbraw/zinc/89/02/91/1347890291.db2.gz NZQVGUNHAZFFKA-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCCC1)C1CCC1 ZINC001049522036 1347890293 /nfs/dbraw/zinc/89/02/93/1347890293.db2.gz NZQVGUNHAZFFKA-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC1CC1 ZINC001049526173 1347892133 /nfs/dbraw/zinc/89/21/33/1347892133.db2.gz UAPATHNOBHXKJN-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CC1 ZINC001049526173 1347892136 /nfs/dbraw/zinc/89/21/36/1347892136.db2.gz UAPATHNOBHXKJN-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CC1 ZINC001049526173 1347892137 /nfs/dbraw/zinc/89/21/37/1347892137.db2.gz UAPATHNOBHXKJN-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCCC1 ZINC001049723822 1347990450 /nfs/dbraw/zinc/99/04/50/1347990450.db2.gz OZIWKRYADJVBHC-YZGWKJHDSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCCC1 ZINC001049723822 1347990455 /nfs/dbraw/zinc/99/04/55/1347990455.db2.gz OZIWKRYADJVBHC-YZGWKJHDSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCCC1 ZINC001049723822 1347990456 /nfs/dbraw/zinc/99/04/56/1347990456.db2.gz OZIWKRYADJVBHC-YZGWKJHDSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049764650 1348008975 /nfs/dbraw/zinc/00/89/75/1348008975.db2.gz DVMPEZHVMBOZSD-GUDVDZBRSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049768393 1348011180 /nfs/dbraw/zinc/01/11/80/1348011180.db2.gz WCRSKUATQBTIRQ-OTWHNJEPSA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001049768393 1348011182 /nfs/dbraw/zinc/01/11/82/1348011182.db2.gz WCRSKUATQBTIRQ-OTWHNJEPSA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001049768393 1348011183 /nfs/dbraw/zinc/01/11/83/1348011183.db2.gz WCRSKUATQBTIRQ-OTWHNJEPSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001049768088 1348011230 /nfs/dbraw/zinc/01/12/30/1348011230.db2.gz SKUKAKGKAHRMOY-VAMGGRTRSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049768088 1348011231 /nfs/dbraw/zinc/01/12/31/1348011231.db2.gz SKUKAKGKAHRMOY-VAMGGRTRSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049768088 1348011233 /nfs/dbraw/zinc/01/12/33/1348011233.db2.gz SKUKAKGKAHRMOY-VAMGGRTRSA-N 2 1 347.547 3.281 20 0 EGADMP C[NH+]1CCC(CC(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCC(C)(C)C)CC1 ZINC001049767752 1348011356 /nfs/dbraw/zinc/01/13/56/1348011356.db2.gz QYJDJCMKTRAHAK-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CCC(CC(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCC(C)(C)C)CC1 ZINC001049767749 1348011378 /nfs/dbraw/zinc/01/13/78/1348011378.db2.gz QYJDJCMKTRAHAK-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCC1CCCC1 ZINC001049896275 1348098597 /nfs/dbraw/zinc/09/85/97/1348098597.db2.gz MLALKHCMKSICLK-VQTJNVASSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050138669 1348194322 /nfs/dbraw/zinc/19/43/22/1348194322.db2.gz POVXCKCEGRJWNH-ZWKOTPCHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050138669 1348194323 /nfs/dbraw/zinc/19/43/23/1348194323.db2.gz POVXCKCEGRJWNH-ZWKOTPCHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050138669 1348194325 /nfs/dbraw/zinc/19/43/25/1348194325.db2.gz POVXCKCEGRJWNH-ZWKOTPCHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001050261621 1348221593 /nfs/dbraw/zinc/22/15/93/1348221593.db2.gz HQUWRFQBCQUPFW-APWZRJJASA-N 2 1 331.504 3.235 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3=CCCCC3)CC2)CC[N@H+]1C ZINC001050329946 1348229011 /nfs/dbraw/zinc/22/90/11/1348229011.db2.gz VMXYBNOFZKBENW-VBSBHUPXSA-N 2 1 347.547 3.092 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC001052377139 1348535019 /nfs/dbraw/zinc/53/50/19/1348535019.db2.gz NPALFUUUZMXQDP-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001052377139 1348535023 /nfs/dbraw/zinc/53/50/23/1348535023.db2.gz NPALFUUUZMXQDP-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001052377139 1348535028 /nfs/dbraw/zinc/53/50/28/1348535028.db2.gz NPALFUUUZMXQDP-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001052378222 1348535573 /nfs/dbraw/zinc/53/55/73/1348535573.db2.gz UPMOZKYRIQEMTN-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001052378222 1348535575 /nfs/dbraw/zinc/53/55/75/1348535575.db2.gz UPMOZKYRIQEMTN-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001052378222 1348535577 /nfs/dbraw/zinc/53/55/77/1348535577.db2.gz UPMOZKYRIQEMTN-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)cs1 ZINC001052498958 1348559809 /nfs/dbraw/zinc/55/98/09/1348559809.db2.gz LOTPIUGWUTWTQQ-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)CC2)cs1 ZINC001052498958 1348559810 /nfs/dbraw/zinc/55/98/10/1348559810.db2.gz LOTPIUGWUTWTQQ-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)CC2)cs1 ZINC001052498958 1348559811 /nfs/dbraw/zinc/55/98/11/1348559811.db2.gz LOTPIUGWUTWTQQ-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052499291 1348560428 /nfs/dbraw/zinc/56/04/28/1348560428.db2.gz SLCXZFDMEGDSOW-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC001052499291 1348560430 /nfs/dbraw/zinc/56/04/30/1348560430.db2.gz SLCXZFDMEGDSOW-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001052499291 1348560432 /nfs/dbraw/zinc/56/04/32/1348560432.db2.gz SLCXZFDMEGDSOW-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052506841 1348561763 /nfs/dbraw/zinc/56/17/63/1348561763.db2.gz MRUHDZJURKZZSA-RDJZCZTQSA-N 2 1 342.487 3.273 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001052561500 1348579999 /nfs/dbraw/zinc/57/99/99/1348579999.db2.gz ABEKLQVRBLPFSQ-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001052561500 1348580001 /nfs/dbraw/zinc/58/00/01/1348580001.db2.gz ABEKLQVRBLPFSQ-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001052589152 1348587837 /nfs/dbraw/zinc/58/78/37/1348587837.db2.gz CZDVUXDKPANSJN-IBGZPJMESA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1)[NH+]1CCCC1 ZINC001052621138 1348598741 /nfs/dbraw/zinc/59/87/41/1348598741.db2.gz XNLYUALJDXUIQJ-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052652184 1348614209 /nfs/dbraw/zinc/61/42/09/1348614209.db2.gz UTKIYQQJAVVJKJ-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052652184 1348614210 /nfs/dbraw/zinc/61/42/10/1348614210.db2.gz UTKIYQQJAVVJKJ-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052652184 1348614212 /nfs/dbraw/zinc/61/42/12/1348614212.db2.gz UTKIYQQJAVVJKJ-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052756131 1348665699 /nfs/dbraw/zinc/66/56/99/1348665699.db2.gz BOQVMJXJTFDFJE-GOSISDBHSA-N 2 1 348.535 3.413 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052756131 1348665702 /nfs/dbraw/zinc/66/57/02/1348665702.db2.gz BOQVMJXJTFDFJE-GOSISDBHSA-N 2 1 348.535 3.413 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](CCCC3CCCC3)CC2)C1 ZINC001052868793 1348709975 /nfs/dbraw/zinc/70/99/75/1348709975.db2.gz YEWRBMGHVZYUTC-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@H+](CCCC3CCCC3)CC2)C1 ZINC001052868793 1348709980 /nfs/dbraw/zinc/70/99/80/1348709980.db2.gz YEWRBMGHVZYUTC-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@@H+](CCCC3CCCC3)CC2)C1 ZINC001052868793 1348709985 /nfs/dbraw/zinc/70/99/85/1348709985.db2.gz YEWRBMGHVZYUTC-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052953656 1348768519 /nfs/dbraw/zinc/76/85/19/1348768519.db2.gz FDHQZNQKYCLBBY-APWZRJJASA-N 2 1 349.494 3.081 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(C)C)CC2)o1 ZINC001052967360 1348778609 /nfs/dbraw/zinc/77/86/09/1348778609.db2.gz GKMZGQILKLOQGZ-QGZVFWFLSA-N 2 1 349.519 3.362 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029901 1348829330 /nfs/dbraw/zinc/82/93/30/1348829330.db2.gz XZXRLQHWGRHHRU-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053029901 1348829334 /nfs/dbraw/zinc/82/93/34/1348829334.db2.gz XZXRLQHWGRHHRU-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053029901 1348829336 /nfs/dbraw/zinc/82/93/36/1348829336.db2.gz XZXRLQHWGRHHRU-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087201 1348910559 /nfs/dbraw/zinc/91/05/59/1348910559.db2.gz IWIDLJOBNUAALO-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053087201 1348910562 /nfs/dbraw/zinc/91/05/62/1348910562.db2.gz IWIDLJOBNUAALO-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053087201 1348910565 /nfs/dbraw/zinc/91/05/65/1348910565.db2.gz IWIDLJOBNUAALO-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054159944 1349161800 /nfs/dbraw/zinc/16/18/00/1349161800.db2.gz QNEFQDGOGBHPJO-HXUWFJFHSA-N 2 1 340.471 3.063 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CCCC3CCC3)C2)C1)[NH+](C)C ZINC001054198890 1349200294 /nfs/dbraw/zinc/20/02/94/1349200294.db2.gz IVYVJWATMPWCKC-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245350 1349239155 /nfs/dbraw/zinc/23/91/55/1349239155.db2.gz SFDLFLZCKAXSGU-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)cc2C1 ZINC001054285313 1349286921 /nfs/dbraw/zinc/28/69/21/1349286921.db2.gz CQNYWBVFZXWKMN-WOJBJXKFSA-N 2 1 341.499 3.044 20 0 EGADMP CC(C)[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)cc2C1 ZINC001054285313 1349286924 /nfs/dbraw/zinc/28/69/24/1349286924.db2.gz CQNYWBVFZXWKMN-WOJBJXKFSA-N 2 1 341.499 3.044 20 0 EGADMP CC(C)[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)cc2C1 ZINC001054285313 1349286928 /nfs/dbraw/zinc/28/69/28/1349286928.db2.gz CQNYWBVFZXWKMN-WOJBJXKFSA-N 2 1 341.499 3.044 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC001054297527 1349301863 /nfs/dbraw/zinc/30/18/63/1349301863.db2.gz CMJFDAGLWVYFEC-AABGKKOBSA-N 2 1 343.515 3.203 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001080021930 1357460541 /nfs/dbraw/zinc/46/05/41/1357460541.db2.gz YTIYIEDXJLHJCG-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C ZINC001080021930 1357460543 /nfs/dbraw/zinc/46/05/43/1357460543.db2.gz YTIYIEDXJLHJCG-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C ZINC001080021930 1357460546 /nfs/dbraw/zinc/46/05/46/1357460546.db2.gz YTIYIEDXJLHJCG-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001183040376 1387255344 /nfs/dbraw/zinc/25/53/44/1387255344.db2.gz RBGHHLKKHLMDKW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC3=CCCCC3)C[C@H]2C)C1 ZINC001080311178 1357568842 /nfs/dbraw/zinc/56/88/42/1357568842.db2.gz UJOCQYUXBWEROM-YZGWKJHDSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC3=CCCCC3)C[C@H]2C)C1 ZINC001080311178 1357568846 /nfs/dbraw/zinc/56/88/46/1357568846.db2.gz UJOCQYUXBWEROM-YZGWKJHDSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2C)C1 ZINC001080311178 1357568849 /nfs/dbraw/zinc/56/88/49/1357568849.db2.gz UJOCQYUXBWEROM-YZGWKJHDSA-N 2 1 347.547 3.045 20 0 EGADMP CC[N@H+](Cc1cc(C)cc(Br)c1OC)C1CC[NH2+]CC1 ZINC001235764507 1376890119 /nfs/dbraw/zinc/89/01/19/1376890119.db2.gz HRYGIJMXMFNOQL-UHFFFAOYSA-N 2 1 341.293 3.340 20 0 EGADMP CC[N@@H+](Cc1cc(C)cc(Br)c1OC)C1CC[NH2+]CC1 ZINC001235764507 1376890123 /nfs/dbraw/zinc/89/01/23/1376890123.db2.gz HRYGIJMXMFNOQL-UHFFFAOYSA-N 2 1 341.293 3.340 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080559110 1357678344 /nfs/dbraw/zinc/67/83/44/1357678344.db2.gz VRIOOJUHUWYHFY-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080667590 1357719383 /nfs/dbraw/zinc/71/93/83/1357719383.db2.gz LOVCIVKVJOQXQR-UYAOXDASSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001071627987 1354811809 /nfs/dbraw/zinc/81/18/09/1354811809.db2.gz MTDGQTLAEBOFIT-DOTOQJQBSA-N 2 1 342.487 3.272 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CC1CCCCC1 ZINC001071645603 1354823666 /nfs/dbraw/zinc/82/36/66/1354823666.db2.gz LDGGJWAJUNZCPP-HKUYNNGSSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CCC(C)(C)C ZINC001071646160 1354823793 /nfs/dbraw/zinc/82/37/93/1354823793.db2.gz SNLDPTRBDFBCED-IAGOWNOFSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001071690149 1354853681 /nfs/dbraw/zinc/85/36/81/1354853681.db2.gz WLUVDMSSGTYNID-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001071690149 1354853687 /nfs/dbraw/zinc/85/36/87/1354853687.db2.gz WLUVDMSSGTYNID-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CC1CCCC1 ZINC001071735042 1354887179 /nfs/dbraw/zinc/88/71/79/1354887179.db2.gz FGBXTMWFFCRIDQ-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001071827842 1354964952 /nfs/dbraw/zinc/96/49/52/1354964952.db2.gz FCUNEJCSMRAGBD-YLJYHZDGSA-N 2 1 345.531 3.029 20 0 EGADMP CCCC[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001071829005 1354965682 /nfs/dbraw/zinc/96/56/82/1354965682.db2.gz YNAABDVKWLQEMI-XLIONFOSSA-N 2 1 345.531 3.174 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCCC2)C1 ZINC001071867829 1354992814 /nfs/dbraw/zinc/99/28/14/1354992814.db2.gz FGMUBJYCCYFTRK-WMZOPIPTSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CCCC2)C1 ZINC001071867829 1354992819 /nfs/dbraw/zinc/99/28/19/1354992819.db2.gz FGMUBJYCCYFTRK-WMZOPIPTSA-N 2 1 346.519 3.166 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CCC(C)(C)C ZINC001071870758 1354996183 /nfs/dbraw/zinc/99/61/83/1354996183.db2.gz DLWKAPNOKORJMF-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071895973 1355011975 /nfs/dbraw/zinc/01/19/75/1355011975.db2.gz CRVUZEARPDSFCR-YLJYHZDGSA-N 2 1 343.515 3.297 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071897848 1355012863 /nfs/dbraw/zinc/01/28/63/1355012863.db2.gz QDQYRDOYQBNIKE-PXNSSMCTSA-N 2 1 345.531 3.377 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CC1CCC(C)(C)CC1 ZINC001072081020 1355118394 /nfs/dbraw/zinc/11/83/94/1355118394.db2.gz FQWPZLNPHFQTEM-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@@H+]1C/C=C\Cl ZINC001072099726 1355130199 /nfs/dbraw/zinc/13/01/99/1355130199.db2.gz WQTWRFPQWXFCPA-ZTYGBSLESA-N 2 1 349.906 3.083 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@H+]1C/C=C\Cl ZINC001072099726 1355130202 /nfs/dbraw/zinc/13/02/02/1355130202.db2.gz WQTWRFPQWXFCPA-ZTYGBSLESA-N 2 1 349.906 3.083 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)C)C2 ZINC001073116593 1355605171 /nfs/dbraw/zinc/60/51/71/1355605171.db2.gz VQVVEBWSKKZFTA-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCC(C)C)C2 ZINC001073116593 1355605174 /nfs/dbraw/zinc/60/51/74/1355605174.db2.gz VQVVEBWSKKZFTA-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCC(C)C)C2 ZINC001073116593 1355605176 /nfs/dbraw/zinc/60/51/76/1355605176.db2.gz VQVVEBWSKKZFTA-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073460667 1355794630 /nfs/dbraw/zinc/79/46/30/1355794630.db2.gz GXZAXPYCUNVIOJ-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@H](C)CC(C)C)C1 ZINC001183228495 1387282773 /nfs/dbraw/zinc/28/27/73/1387282773.db2.gz JFPJGMAKTIIBIG-QWFCFKBJSA-N 2 1 339.568 3.085 20 0 EGADMP C[N@@H+](C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C)CC1CCCCCC1 ZINC001073970452 1356003532 /nfs/dbraw/zinc/00/35/32/1356003532.db2.gz OZFBYNCXSBCFNQ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C)CC1CCCCCC1 ZINC001073970452 1356003535 /nfs/dbraw/zinc/00/35/35/1356003535.db2.gz OZFBYNCXSBCFNQ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C)CC1CCCCCC1 ZINC001073970452 1356003543 /nfs/dbraw/zinc/00/35/43/1356003543.db2.gz OZFBYNCXSBCFNQ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CC1CCC1)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001074035311 1356046932 /nfs/dbraw/zinc/04/69/32/1356046932.db2.gz OHFNWRKOFCDLBJ-LJQANCHMSA-N 2 1 340.471 3.061 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@H]2CCCCN2C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001074055832 1356058430 /nfs/dbraw/zinc/05/84/30/1356058430.db2.gz MHJGIPLRVSCDCQ-KPZODNFCSA-N 2 1 349.563 3.076 20 0 EGADMP CC1CC(C[NH+](C)C[C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001074055832 1356058433 /nfs/dbraw/zinc/05/84/33/1356058433.db2.gz MHJGIPLRVSCDCQ-KPZODNFCSA-N 2 1 349.563 3.076 20 0 EGADMP CC1CC(C[NH+](C)C[C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001074055832 1356058438 /nfs/dbraw/zinc/05/84/38/1356058438.db2.gz MHJGIPLRVSCDCQ-KPZODNFCSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CC3CC(C)(C)C3)[C@@H]2C)C1 ZINC001074826025 1356256714 /nfs/dbraw/zinc/25/67/14/1356256714.db2.gz SWQWDQRPLMOFON-UHOSZYNNSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)CC1 ZINC001075460625 1356394159 /nfs/dbraw/zinc/39/41/59/1356394159.db2.gz YGWSBUXIWRBSEV-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001183256130 1387286626 /nfs/dbraw/zinc/28/66/26/1387286626.db2.gz SSACRZWNZYZSPG-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001082559074 1358057095 /nfs/dbraw/zinc/05/70/95/1358057095.db2.gz RNUDRXYMHBUUBT-NZSAHSFTSA-N 2 1 349.563 3.122 20 0 EGADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC001082570804 1358057408 /nfs/dbraw/zinc/05/74/08/1358057408.db2.gz ZKIPIHGSAKCDCS-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001082943512 1358107096 /nfs/dbraw/zinc/10/70/96/1358107096.db2.gz MGVVCNMXNYJRNT-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084469655 1358220934 /nfs/dbraw/zinc/22/09/34/1358220934.db2.gz GQBKZGWGGXCWQR-YQVWRLOYSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084469655 1358220937 /nfs/dbraw/zinc/22/09/37/1358220937.db2.gz GQBKZGWGGXCWQR-YQVWRLOYSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084469655 1358220939 /nfs/dbraw/zinc/22/09/39/1358220939.db2.gz GQBKZGWGGXCWQR-YQVWRLOYSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)CC[NH3+] ZINC001183575950 1387320504 /nfs/dbraw/zinc/32/05/04/1387320504.db2.gz SPLLZIFRBYSCCK-PKOBYXMFSA-N 2 1 345.531 3.026 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944813 1358353247 /nfs/dbraw/zinc/35/32/47/1358353247.db2.gz OLUFQQMGXMNFKL-WCIQWLHISA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944813 1358353250 /nfs/dbraw/zinc/35/32/50/1358353250.db2.gz OLUFQQMGXMNFKL-WCIQWLHISA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944813 1358353254 /nfs/dbraw/zinc/35/32/54/1358353254.db2.gz OLUFQQMGXMNFKL-WCIQWLHISA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958442 1358354630 /nfs/dbraw/zinc/35/46/30/1358354630.db2.gz ZMARXLZSSJHDMG-AABGKKOBSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084958442 1358354632 /nfs/dbraw/zinc/35/46/32/1358354632.db2.gz ZMARXLZSSJHDMG-AABGKKOBSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084958442 1358354637 /nfs/dbraw/zinc/35/46/37/1358354637.db2.gz ZMARXLZSSJHDMG-AABGKKOBSA-N 2 1 349.563 3.218 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCCC1 ZINC001085152529 1358413966 /nfs/dbraw/zinc/41/39/66/1358413966.db2.gz HXXKYAARTQRQGS-AQNXPRMDSA-N 2 1 349.563 3.458 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001085152326 1358414066 /nfs/dbraw/zinc/41/40/66/1358414066.db2.gz ALIXJUUKXDLUER-QRVBRYPASA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085197021 1358431343 /nfs/dbraw/zinc/43/13/43/1358431343.db2.gz ZJNBXLXWJHCOPY-QRVBRYPASA-N 2 1 335.536 3.066 20 0 EGADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085199361 1358432137 /nfs/dbraw/zinc/43/21/37/1358432137.db2.gz IFDVUPLKDYLHRF-DFQSSKMNSA-N 2 1 347.547 3.068 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@@H+]2CCC[C@@H]2C)cs1 ZINC001085332008 1358470406 /nfs/dbraw/zinc/47/04/06/1358470406.db2.gz HUCUGQYEDKUAMB-BMGDILEWSA-N 2 1 349.544 3.058 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085597647 1358624625 /nfs/dbraw/zinc/62/46/25/1358624625.db2.gz CFMNDOKRGRCHCL-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085597647 1358624628 /nfs/dbraw/zinc/62/46/28/1358624628.db2.gz CFMNDOKRGRCHCL-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085597647 1358624631 /nfs/dbraw/zinc/62/46/31/1358624631.db2.gz CFMNDOKRGRCHCL-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CC(C[N@@H+]2CC[C@H]2CN(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001085625485 1358645091 /nfs/dbraw/zinc/64/50/91/1358645091.db2.gz QQQVBVYRKWEXBF-DQPZFDDXSA-N 2 1 349.544 3.002 20 0 EGADMP CC1CC(C[N@H+]2CC[C@H]2CN(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001085625485 1358645097 /nfs/dbraw/zinc/64/50/97/1358645097.db2.gz QQQVBVYRKWEXBF-DQPZFDDXSA-N 2 1 349.544 3.002 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001085628852 1358646816 /nfs/dbraw/zinc/64/68/16/1358646816.db2.gz GOLYLETVUBQGJY-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001085628852 1358646820 /nfs/dbraw/zinc/64/68/20/1358646820.db2.gz GOLYLETVUBQGJY-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCCC1 ZINC001085628852 1358646823 /nfs/dbraw/zinc/64/68/23/1358646823.db2.gz GOLYLETVUBQGJY-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001085687320 1358687399 /nfs/dbraw/zinc/68/73/99/1358687399.db2.gz MSGFTVOYFMIUOP-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085687320 1358687401 /nfs/dbraw/zinc/68/74/01/1358687401.db2.gz MSGFTVOYFMIUOP-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085687320 1358687405 /nfs/dbraw/zinc/68/74/05/1358687405.db2.gz MSGFTVOYFMIUOP-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP Cc1c(C(=O)N(C)C[C@@H]2CC[N@H+]2CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001085686067 1358687610 /nfs/dbraw/zinc/68/76/10/1358687610.db2.gz IOWPBIBAXRGPPQ-KRWDZBQOSA-N 2 1 342.487 3.225 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001085987739 1358939222 /nfs/dbraw/zinc/93/92/22/1358939222.db2.gz KQAIITWYUSVCMG-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001085987739 1358939228 /nfs/dbraw/zinc/93/92/28/1358939228.db2.gz KQAIITWYUSVCMG-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001085987739 1358939233 /nfs/dbraw/zinc/93/92/33/1358939233.db2.gz KQAIITWYUSVCMG-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001085988164 1358939403 /nfs/dbraw/zinc/93/94/03/1358939403.db2.gz WRSIMOZBSOIFJZ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001085988164 1358939407 /nfs/dbraw/zinc/93/94/07/1358939407.db2.gz WRSIMOZBSOIFJZ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCCC1 ZINC001085988164 1358939411 /nfs/dbraw/zinc/93/94/11/1358939411.db2.gz WRSIMOZBSOIFJZ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2CC2CCC2)o1 ZINC001085994465 1358949420 /nfs/dbraw/zinc/94/94/20/1358949420.db2.gz LXWRYUFLUUDSQB-QGZVFWFLSA-N 2 1 347.503 3.068 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086102014 1358997797 /nfs/dbraw/zinc/99/77/97/1358997797.db2.gz FQISUIWKNHPFTE-ZCNNSNEGSA-N 2 1 347.547 3.236 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001086102122 1358997928 /nfs/dbraw/zinc/99/79/28/1358997928.db2.gz JXHZHDBFMZLBQL-HSALFYBXSA-N 2 1 349.563 3.316 20 0 EGADMP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001086222101 1359032213 /nfs/dbraw/zinc/03/22/13/1359032213.db2.gz ZSUJKPIZVFKBMQ-YRPNKDGESA-N 2 1 347.547 3.068 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001086403162 1359088344 /nfs/dbraw/zinc/08/83/44/1359088344.db2.gz YFHLATGNBKQEMJ-ZULIPRJHSA-N 2 1 343.515 3.025 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001086414847 1359091495 /nfs/dbraw/zinc/09/14/95/1359091495.db2.gz MTJYDSYTNJAZIR-UFYCRDLUSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086453840 1359101362 /nfs/dbraw/zinc/10/13/62/1359101362.db2.gz GCIIJRJBQPLHQX-UFYCRDLUSA-N 2 1 349.563 3.173 20 0 EGADMP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001086503040 1359122327 /nfs/dbraw/zinc/12/23/27/1359122327.db2.gz ZSUJKPIZVFKBMQ-UAFMIMERSA-N 2 1 347.547 3.068 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)CC[N@H+]1C ZINC001086700828 1359188102 /nfs/dbraw/zinc/18/81/02/1359188102.db2.gz OIXJCNIYFHPEOH-WZGPROSRSA-N 2 1 349.563 3.027 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086712196 1359190485 /nfs/dbraw/zinc/19/04/85/1359190485.db2.gz UZVRJOLDFFHVCI-XUVXKRRUSA-N 2 1 349.563 3.316 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC2(C[C@@H]1C)CC[NH+](CC)CC2 ZINC001086925370 1359250990 /nfs/dbraw/zinc/25/09/90/1359250990.db2.gz VFUKVXORKGTBIG-SJORKVTESA-N 2 1 346.519 3.120 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001086926709 1359251526 /nfs/dbraw/zinc/25/15/26/1359251526.db2.gz HTCOVHKAMRDFLY-QZTJIDSGSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086952250 1359272823 /nfs/dbraw/zinc/27/28/23/1359272823.db2.gz DAKMLJSZEPGFJR-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@H+]1Cc1ccsc1 ZINC001087569983 1359536527 /nfs/dbraw/zinc/53/65/27/1359536527.db2.gz VHJYEURNNCYYNJ-KSZLIROESA-N 2 1 349.544 3.090 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC[NH+]1Cc1ccsc1 ZINC001087569983 1359536528 /nfs/dbraw/zinc/53/65/28/1359536528.db2.gz VHJYEURNNCYYNJ-KSZLIROESA-N 2 1 349.544 3.090 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC[NH+]1Cc1ccsc1 ZINC001087569983 1359536532 /nfs/dbraw/zinc/53/65/32/1359536532.db2.gz VHJYEURNNCYYNJ-KSZLIROESA-N 2 1 349.544 3.090 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC[NH+]1CC1CCCCC1 ZINC001087578711 1359538870 /nfs/dbraw/zinc/53/88/70/1359538870.db2.gz KXTZFFGYBWBEPU-VNTMZGSJSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CCCCC3)[C@@H]2CC)CC[NH+]1C ZINC001087578711 1359538872 /nfs/dbraw/zinc/53/88/72/1359538872.db2.gz KXTZFFGYBWBEPU-VNTMZGSJSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)[C@@H]2CC)CC[NH+]1C ZINC001087578711 1359538873 /nfs/dbraw/zinc/53/88/73/1359538873.db2.gz KXTZFFGYBWBEPU-VNTMZGSJSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)[C@@H]1CC ZINC001087593344 1359547046 /nfs/dbraw/zinc/54/70/46/1359547046.db2.gz BVSHJMHEGCLIFG-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@@H]1CC ZINC001087593344 1359547049 /nfs/dbraw/zinc/54/70/49/1359547049.db2.gz BVSHJMHEGCLIFG-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H]1CC ZINC001087593344 1359547050 /nfs/dbraw/zinc/54/70/50/1359547050.db2.gz BVSHJMHEGCLIFG-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087601741 1359549435 /nfs/dbraw/zinc/54/94/35/1359549435.db2.gz IDXATEXLFFYZLI-KSZLIROESA-N 2 1 346.519 3.166 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087601741 1359549439 /nfs/dbraw/zinc/54/94/39/1359549439.db2.gz IDXATEXLFFYZLI-KSZLIROESA-N 2 1 346.519 3.166 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1CC=C(C)C ZINC001087602656 1359550567 /nfs/dbraw/zinc/55/05/67/1359550567.db2.gz YIYWFYHRTMUFDZ-ZCNNSNEGSA-N 2 1 347.547 3.329 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1CC=C(C)C ZINC001087602656 1359550570 /nfs/dbraw/zinc/55/05/70/1359550570.db2.gz YIYWFYHRTMUFDZ-ZCNNSNEGSA-N 2 1 347.547 3.329 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1CC=C(C)C ZINC001087602656 1359550572 /nfs/dbraw/zinc/55/05/72/1359550572.db2.gz YIYWFYHRTMUFDZ-ZCNNSNEGSA-N 2 1 347.547 3.329 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@H+]1Cc1ccsc1 ZINC001087840802 1359675099 /nfs/dbraw/zinc/67/50/99/1359675099.db2.gz ONPZEHLGIHLJPK-KSZLIROESA-N 2 1 349.544 3.092 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC[NH+]1Cc1ccsc1 ZINC001087840802 1359675102 /nfs/dbraw/zinc/67/51/02/1359675102.db2.gz ONPZEHLGIHLJPK-KSZLIROESA-N 2 1 349.544 3.092 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC[NH+]1Cc1ccsc1 ZINC001087840802 1359675107 /nfs/dbraw/zinc/67/51/07/1359675107.db2.gz ONPZEHLGIHLJPK-KSZLIROESA-N 2 1 349.544 3.092 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1 ZINC001088323517 1359830790 /nfs/dbraw/zinc/83/07/90/1359830790.db2.gz QXHRSOFJSKGVCX-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001088367995 1359852472 /nfs/dbraw/zinc/85/24/72/1359852472.db2.gz YVDCXHTYGOTJOU-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1 ZINC001088394545 1359870776 /nfs/dbraw/zinc/87/07/76/1359870776.db2.gz JBSFNWUQFKIMMC-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001088605452 1359988616 /nfs/dbraw/zinc/98/86/16/1359988616.db2.gz TTZOXSUTMSJTRQ-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)[C@@H]1C ZINC001088605452 1359988619 /nfs/dbraw/zinc/98/86/19/1359988619.db2.gz TTZOXSUTMSJTRQ-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)[C@@H]1C ZINC001088605452 1359988623 /nfs/dbraw/zinc/98/86/23/1359988623.db2.gz TTZOXSUTMSJTRQ-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC001088748676 1360030573 /nfs/dbraw/zinc/03/05/73/1360030573.db2.gz QGOHCPKJWPOKEB-UZLBHIALSA-N 2 1 348.450 3.036 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1CC1CCC1 ZINC001088812101 1360060377 /nfs/dbraw/zinc/06/03/77/1360060377.db2.gz MFZGPRJNTIXSFZ-LSTHTHJFSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1CC1CCC1 ZINC001088812101 1360060380 /nfs/dbraw/zinc/06/03/80/1360060380.db2.gz MFZGPRJNTIXSFZ-LSTHTHJFSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1CC1CCC1 ZINC001088812101 1360060383 /nfs/dbraw/zinc/06/03/83/1360060383.db2.gz MFZGPRJNTIXSFZ-LSTHTHJFSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897562 1360097887 /nfs/dbraw/zinc/09/78/87/1360097887.db2.gz NQZSTHDEJDZDFU-NUJGCVRESA-N 2 1 349.544 3.092 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC=C(C)C)[C@@H]2C)o1 ZINC001089070382 1360158699 /nfs/dbraw/zinc/15/86/99/1360158699.db2.gz AOLSBOQBYNRZGF-AEFFLSMTSA-N 2 1 347.503 3.280 20 0 EGADMP CC1CCC(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001089208648 1360254572 /nfs/dbraw/zinc/25/45/72/1360254572.db2.gz YLQQUMBFZQQQAM-GHBBCFCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CCC(C[NH+](C)C[C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001089208648 1360254574 /nfs/dbraw/zinc/25/45/74/1360254574.db2.gz YLQQUMBFZQQQAM-GHBBCFCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CCC(C[NH+](C)C[C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001089208648 1360254576 /nfs/dbraw/zinc/25/45/76/1360254576.db2.gz YLQQUMBFZQQQAM-GHBBCFCZSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCC2)CC(C)(C)C1 ZINC001089334965 1360348607 /nfs/dbraw/zinc/34/86/07/1360348607.db2.gz LSAKMKPYQDEMAP-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)CC(C)(C)C1 ZINC001089334965 1360348611 /nfs/dbraw/zinc/34/86/11/1360348611.db2.gz LSAKMKPYQDEMAP-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)CC(C)(C)C1 ZINC001089334965 1360348614 /nfs/dbraw/zinc/34/86/14/1360348614.db2.gz LSAKMKPYQDEMAP-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)CC(C)(C)C1 ZINC001089334960 1360348636 /nfs/dbraw/zinc/34/86/36/1360348636.db2.gz LSAKMKPYQDEMAP-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)CC(C)(C)C1 ZINC001089334960 1360348638 /nfs/dbraw/zinc/34/86/38/1360348638.db2.gz LSAKMKPYQDEMAP-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)CC(C)(C)C1 ZINC001089334960 1360348642 /nfs/dbraw/zinc/34/86/42/1360348642.db2.gz LSAKMKPYQDEMAP-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089384486 1360386246 /nfs/dbraw/zinc/38/62/46/1360386246.db2.gz DOECVOKUOHWOGJ-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089385417 1360386822 /nfs/dbraw/zinc/38/68/22/1360386822.db2.gz IEZLVKUBZZQQMC-KRWDZBQOSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089398796 1360398717 /nfs/dbraw/zinc/39/87/17/1360398717.db2.gz NUBFTRGTMFXXQB-HNNXBMFYSA-N 2 1 337.533 3.050 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089416836 1360410771 /nfs/dbraw/zinc/41/07/71/1360410771.db2.gz QYUOBYQRTYUXSP-GOSISDBHSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089457875 1360445106 /nfs/dbraw/zinc/44/51/06/1360445106.db2.gz HUDLAFMDTOQFRF-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089473308 1360456386 /nfs/dbraw/zinc/45/63/86/1360456386.db2.gz VIPDHLRMAPZZBM-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089473308 1360456388 /nfs/dbraw/zinc/45/63/88/1360456388.db2.gz VIPDHLRMAPZZBM-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089473308 1360456389 /nfs/dbraw/zinc/45/63/89/1360456389.db2.gz VIPDHLRMAPZZBM-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089488146 1360467767 /nfs/dbraw/zinc/46/77/67/1360467767.db2.gz REJIBEGJKKCZMJ-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089488146 1360467768 /nfs/dbraw/zinc/46/77/68/1360467768.db2.gz REJIBEGJKKCZMJ-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089488146 1360467770 /nfs/dbraw/zinc/46/77/70/1360467770.db2.gz REJIBEGJKKCZMJ-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089527646 1360491177 /nfs/dbraw/zinc/49/11/77/1360491177.db2.gz RWWYTFZAACQUTH-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089540184 1360497552 /nfs/dbraw/zinc/49/75/52/1360497552.db2.gz SFERKKBIHXEUDE-QGZVFWFLSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCC3CCCC3)CC(C)(C)C2)C1 ZINC001089559891 1360507262 /nfs/dbraw/zinc/50/72/62/1360507262.db2.gz SVPGWRFSDNNEFD-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CCC3CCCC3)CC(C)(C)C2)C1 ZINC001089559891 1360507264 /nfs/dbraw/zinc/50/72/64/1360507264.db2.gz SVPGWRFSDNNEFD-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCC3CCCC3)CC(C)(C)C2)C1 ZINC001089559891 1360507266 /nfs/dbraw/zinc/50/72/66/1360507266.db2.gz SVPGWRFSDNNEFD-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC(C)(C)C1 ZINC001089561193 1360509349 /nfs/dbraw/zinc/50/93/49/1360509349.db2.gz NXTQKMIAGLJPSM-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089564863 1360511288 /nfs/dbraw/zinc/51/12/88/1360511288.db2.gz KFVLLZWQRUZQRU-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089564863 1360511289 /nfs/dbraw/zinc/51/12/89/1360511289.db2.gz KFVLLZWQRUZQRU-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC(C)(C)C1 ZINC001089564863 1360511294 /nfs/dbraw/zinc/51/12/94/1360511294.db2.gz KFVLLZWQRUZQRU-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC=C(C)C)CC[N@H+]1C ZINC001089642650 1360555528 /nfs/dbraw/zinc/55/55/28/1360555528.db2.gz OKXBSFUKCOGXLN-GBESFXJTSA-N 2 1 349.563 3.290 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC=C(C)C)CC[NH+]1C ZINC001089642650 1360555530 /nfs/dbraw/zinc/55/55/30/1360555530.db2.gz OKXBSFUKCOGXLN-GBESFXJTSA-N 2 1 349.563 3.290 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC=C(C)C)CC[NH+]1C ZINC001089642650 1360555532 /nfs/dbraw/zinc/55/55/32/1360555532.db2.gz OKXBSFUKCOGXLN-GBESFXJTSA-N 2 1 349.563 3.290 20 0 EGADMP CC[C@H](C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089663989 1360574213 /nfs/dbraw/zinc/57/42/13/1360574213.db2.gz BSXUDVZDPPUQEC-ROUUACIJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CCC2)CC[N@H+]1C ZINC001089686726 1360592554 /nfs/dbraw/zinc/59/25/54/1360592554.db2.gz XIUFJNHQOOIUCC-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC2CCC2)CC[NH+]1C ZINC001089686726 1360592556 /nfs/dbraw/zinc/59/25/56/1360592556.db2.gz XIUFJNHQOOIUCC-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC2CCC2)CC[NH+]1C ZINC001089686726 1360592557 /nfs/dbraw/zinc/59/25/57/1360592557.db2.gz XIUFJNHQOOIUCC-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC ZINC001089721718 1360623990 /nfs/dbraw/zinc/62/39/90/1360623990.db2.gz JSPDXVDVIZFBRX-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC ZINC001089721718 1360623994 /nfs/dbraw/zinc/62/39/94/1360623994.db2.gz JSPDXVDVIZFBRX-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC ZINC001089721718 1360623995 /nfs/dbraw/zinc/62/39/95/1360623995.db2.gz JSPDXVDVIZFBRX-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CCC2CCCC2)C1 ZINC001089732193 1360636221 /nfs/dbraw/zinc/63/62/21/1360636221.db2.gz OTWBIBMEFYSFOS-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CCC2CCCC2)C1 ZINC001089732193 1360636224 /nfs/dbraw/zinc/63/62/24/1360636224.db2.gz OTWBIBMEFYSFOS-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CCC2CCCC2)C1 ZINC001089732193 1360636226 /nfs/dbraw/zinc/63/62/26/1360636226.db2.gz OTWBIBMEFYSFOS-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001089734068 1360638526 /nfs/dbraw/zinc/63/85/26/1360638526.db2.gz GZQJFJBSDMRNSO-SFHVURJKSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001184609480 1387500171 /nfs/dbraw/zinc/50/01/71/1387500171.db2.gz NNTOIVAPEFINHB-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC001323991726 1387505540 /nfs/dbraw/zinc/50/55/40/1387505540.db2.gz SDICQYSILUJFNR-IEBWSBKVSA-N 2 1 337.458 3.396 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@]2(C)C1 ZINC001092190623 1361318765 /nfs/dbraw/zinc/31/87/65/1361318765.db2.gz SIXOVCVYYWIOTD-SBHAEUEKSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@]2(C)C1 ZINC001092190623 1361318769 /nfs/dbraw/zinc/31/87/69/1361318769.db2.gz SIXOVCVYYWIOTD-SBHAEUEKSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@]2(C)C1 ZINC001092190623 1361318771 /nfs/dbraw/zinc/31/87/71/1361318771.db2.gz SIXOVCVYYWIOTD-SBHAEUEKSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092302978 1361359352 /nfs/dbraw/zinc/35/93/52/1361359352.db2.gz LLDKDBIMNZRUMQ-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001184712300 1387517110 /nfs/dbraw/zinc/51/71/10/1387517110.db2.gz LVWHCUMQBKGODO-MSOLQXFVSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001093372537 1361581624 /nfs/dbraw/zinc/58/16/24/1361581624.db2.gz FJRGBUPMPUIGQN-OALUTQOASA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)[NH+]1CCCCC1 ZINC001095414899 1362133020 /nfs/dbraw/zinc/13/30/20/1362133020.db2.gz CGNBJOXPKZEYFA-QYZOEREBSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001095415304 1362133139 /nfs/dbraw/zinc/13/31/39/1362133139.db2.gz UJRGEWYAZNOPPE-BDXSIMOUSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001095417409 1362133427 /nfs/dbraw/zinc/13/34/27/1362133427.db2.gz QHRVGVXFKQHNFJ-LMCOJAPRSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001095417409 1362133429 /nfs/dbraw/zinc/13/34/29/1362133429.db2.gz QHRVGVXFKQHNFJ-LMCOJAPRSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001095417409 1362133430 /nfs/dbraw/zinc/13/34/30/1362133430.db2.gz QHRVGVXFKQHNFJ-LMCOJAPRSA-N 2 1 347.547 3.019 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001095498699 1362157367 /nfs/dbraw/zinc/15/73/67/1362157367.db2.gz BBFSLVHCNFEWDQ-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001095498699 1362157368 /nfs/dbraw/zinc/15/73/68/1362157368.db2.gz BBFSLVHCNFEWDQ-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001095498699 1362157370 /nfs/dbraw/zinc/15/73/70/1362157370.db2.gz BBFSLVHCNFEWDQ-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001095931678 1362292307 /nfs/dbraw/zinc/29/23/07/1362292307.db2.gz KYLMTCASDPJDAJ-IKGGRYGDSA-N 2 1 347.503 3.113 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001095931678 1362292311 /nfs/dbraw/zinc/29/23/11/1362292311.db2.gz KYLMTCASDPJDAJ-IKGGRYGDSA-N 2 1 347.503 3.113 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001096012085 1362334199 /nfs/dbraw/zinc/33/41/99/1362334199.db2.gz NEXBJMHXQWNFLP-RNQOJCNYSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001096012085 1362334205 /nfs/dbraw/zinc/33/42/05/1362334205.db2.gz NEXBJMHXQWNFLP-RNQOJCNYSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001096012085 1362334207 /nfs/dbraw/zinc/33/42/07/1362334207.db2.gz NEXBJMHXQWNFLP-RNQOJCNYSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCC2)C1 ZINC001096015767 1362335501 /nfs/dbraw/zinc/33/55/01/1362335501.db2.gz RPAOTMFVHPQKEL-LMCOJAPRSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCCC2)C1 ZINC001096015767 1362335505 /nfs/dbraw/zinc/33/55/05/1362335505.db2.gz RPAOTMFVHPQKEL-LMCOJAPRSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCCC2)C1 ZINC001096015767 1362335509 /nfs/dbraw/zinc/33/55/09/1362335509.db2.gz RPAOTMFVHPQKEL-LMCOJAPRSA-N 2 1 347.547 3.020 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001096104018 1362384388 /nfs/dbraw/zinc/38/43/88/1362384388.db2.gz BXTQHCJNASLONP-FYQPLNBISA-N 2 1 349.563 3.407 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001096104018 1362384390 /nfs/dbraw/zinc/38/43/90/1362384390.db2.gz BXTQHCJNASLONP-FYQPLNBISA-N 2 1 349.563 3.407 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001096104018 1362384395 /nfs/dbraw/zinc/38/43/95/1362384395.db2.gz BXTQHCJNASLONP-FYQPLNBISA-N 2 1 349.563 3.407 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H](CC)c1ccccc1 ZINC001324263452 1387573623 /nfs/dbraw/zinc/57/36/23/1387573623.db2.gz LWXGDBZUNLYDAK-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H](CC)c1ccccc1 ZINC001324263462 1387574224 /nfs/dbraw/zinc/57/42/24/1387574224.db2.gz LWXGDBZUNLYDAK-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCCC2)C1 ZINC001096348191 1362469881 /nfs/dbraw/zinc/46/98/81/1362469881.db2.gz FDWRDGFSKBUDJQ-ZRNYENFQSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCCC2)C1 ZINC001096348191 1362469884 /nfs/dbraw/zinc/46/98/84/1362469884.db2.gz FDWRDGFSKBUDJQ-ZRNYENFQSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCCC2)C1 ZINC001096348191 1362469885 /nfs/dbraw/zinc/46/98/85/1362469885.db2.gz FDWRDGFSKBUDJQ-ZRNYENFQSA-N 2 1 347.547 3.020 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)(C)CC1 ZINC001096887522 1362767715 /nfs/dbraw/zinc/76/77/15/1362767715.db2.gz MDTHHBZYAIURLA-AKHDSKFASA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC(C)(C)CC1 ZINC001096887522 1362767718 /nfs/dbraw/zinc/76/77/18/1362767718.db2.gz MDTHHBZYAIURLA-AKHDSKFASA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC(C)(C)CC1 ZINC001096887522 1362767720 /nfs/dbraw/zinc/76/77/20/1362767720.db2.gz MDTHHBZYAIURLA-AKHDSKFASA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097218862 1362890565 /nfs/dbraw/zinc/89/05/65/1362890565.db2.gz LPLOJFYPPFKVRW-YSTOQKLRSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001097218862 1362890569 /nfs/dbraw/zinc/89/05/69/1362890569.db2.gz LPLOJFYPPFKVRW-YSTOQKLRSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001097218862 1362890571 /nfs/dbraw/zinc/89/05/71/1362890571.db2.gz LPLOJFYPPFKVRW-YSTOQKLRSA-N 2 1 347.547 3.161 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001097395692 1362970187 /nfs/dbraw/zinc/97/01/87/1362970187.db2.gz VEVRRVGBXXHELG-LZBRWLDZSA-N 2 1 340.471 3.024 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCC2)C1 ZINC001097853978 1363142251 /nfs/dbraw/zinc/14/22/51/1363142251.db2.gz RPAOTMFVHPQKEL-NBYUQASBSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCCC2)C1 ZINC001097853978 1363142252 /nfs/dbraw/zinc/14/22/52/1363142252.db2.gz RPAOTMFVHPQKEL-NBYUQASBSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCCC2)C1 ZINC001097853978 1363142254 /nfs/dbraw/zinc/14/22/54/1363142254.db2.gz RPAOTMFVHPQKEL-NBYUQASBSA-N 2 1 347.547 3.020 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCC2)CC1 ZINC001098099869 1363222225 /nfs/dbraw/zinc/22/22/25/1363222225.db2.gz WYDNGJIBPAGMGB-AQNXPRMDSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001099106185 1363625094 /nfs/dbraw/zinc/62/50/94/1363625094.db2.gz CJXPYQMJKYAVCV-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001099106185 1363625096 /nfs/dbraw/zinc/62/50/96/1363625096.db2.gz CJXPYQMJKYAVCV-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001099106185 1363625099 /nfs/dbraw/zinc/62/50/99/1363625099.db2.gz CJXPYQMJKYAVCV-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCCCF ZINC001099198678 1363688119 /nfs/dbraw/zinc/68/81/19/1363688119.db2.gz CVNRDQCFMBVZCD-QGZVFWFLSA-N 2 1 343.531 3.075 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC1)[NH+](CC)CC ZINC001099228975 1363702614 /nfs/dbraw/zinc/70/26/14/1363702614.db2.gz FGYPXLRMTYMXDY-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001099334715 1363756030 /nfs/dbraw/zinc/75/60/30/1363756030.db2.gz MDDRRJSXCMNSGZ-JNVNVXKGSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001099334715 1363756031 /nfs/dbraw/zinc/75/60/31/1363756031.db2.gz MDDRRJSXCMNSGZ-JNVNVXKGSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001099334715 1363756035 /nfs/dbraw/zinc/75/60/35/1363756035.db2.gz MDDRRJSXCMNSGZ-JNVNVXKGSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340427 1363760592 /nfs/dbraw/zinc/76/05/92/1363760592.db2.gz UBBJFRCXKJYMCC-GOSISDBHSA-N 2 1 348.535 3.379 20 0 EGADMP CCCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340427 1363760598 /nfs/dbraw/zinc/76/05/98/1363760598.db2.gz UBBJFRCXKJYMCC-GOSISDBHSA-N 2 1 348.535 3.379 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099353621 1363768235 /nfs/dbraw/zinc/76/82/35/1363768235.db2.gz DPWRKUCQBXPZMU-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC1(C)CC[C@H](CNC(=O)CCC[NH+]2CCCC2)[N@@H+](CC2CCC2)C1 ZINC001099354443 1363768881 /nfs/dbraw/zinc/76/88/81/1363768881.db2.gz SMNHLTYNHUEKEG-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099551651 1363843998 /nfs/dbraw/zinc/84/39/98/1363843998.db2.gz AQMWEFJSWRPMKE-NMLBUPMWSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099551651 1363844000 /nfs/dbraw/zinc/84/40/00/1363844000.db2.gz AQMWEFJSWRPMKE-NMLBUPMWSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CCC ZINC001099551651 1363844005 /nfs/dbraw/zinc/84/40/05/1363844005.db2.gz AQMWEFJSWRPMKE-NMLBUPMWSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001100405878 1364104208 /nfs/dbraw/zinc/10/42/08/1364104208.db2.gz QNVKGMHISQSCRL-AFMYVXGZSA-N 2 1 349.563 3.458 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001100457269 1364120688 /nfs/dbraw/zinc/12/06/88/1364120688.db2.gz XCMUTTGFMGJRFL-LRYGQEGESA-N 2 1 345.531 3.271 20 0 EGADMP CC[C@H](C)C[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001100468676 1364125714 /nfs/dbraw/zinc/12/57/14/1364125714.db2.gz JSCAEGYYTQPIES-GTPINHCMSA-N 2 1 337.552 3.170 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001100471260 1364126759 /nfs/dbraw/zinc/12/67/59/1364126759.db2.gz WLVKZRDZQQFIHV-HPEWHVDNSA-N 2 1 349.563 3.338 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCCC(C)(C)C)C[C@@]2(C)C1 ZINC001101279319 1364497020 /nfs/dbraw/zinc/49/70/20/1364497020.db2.gz LEPHGJLMNCRKHF-OPYAIIAOSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCCC(C)(C)C)C[C@@]2(C)C1 ZINC001101279319 1364497022 /nfs/dbraw/zinc/49/70/22/1364497022.db2.gz LEPHGJLMNCRKHF-OPYAIIAOSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@@]2(C)C1 ZINC001101279319 1364497024 /nfs/dbraw/zinc/49/70/24/1364497024.db2.gz LEPHGJLMNCRKHF-OPYAIIAOSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](CCCC3CCCC3)C[C@@]2(C)C1 ZINC001101400149 1364545600 /nfs/dbraw/zinc/54/56/00/1364545600.db2.gz IWIHZLLQXATGMI-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001101550408 1364613297 /nfs/dbraw/zinc/61/32/97/1364613297.db2.gz HKACKCCZBISQDY-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001102040553 1364821025 /nfs/dbraw/zinc/82/10/25/1364821025.db2.gz NKEXOCDNDJOYHF-IVCWSTDESA-N 2 1 349.563 3.005 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001102040553 1364821026 /nfs/dbraw/zinc/82/10/26/1364821026.db2.gz NKEXOCDNDJOYHF-IVCWSTDESA-N 2 1 349.563 3.005 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC001102040553 1364821027 /nfs/dbraw/zinc/82/10/27/1364821027.db2.gz NKEXOCDNDJOYHF-IVCWSTDESA-N 2 1 349.563 3.005 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102427507 1365049088 /nfs/dbraw/zinc/04/90/88/1365049088.db2.gz XUWPFPUCQMPNJY-VJQBDMSCSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102427507 1365049090 /nfs/dbraw/zinc/04/90/90/1365049090.db2.gz XUWPFPUCQMPNJY-VJQBDMSCSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001102427507 1365049095 /nfs/dbraw/zinc/04/90/95/1365049095.db2.gz XUWPFPUCQMPNJY-VJQBDMSCSA-N 2 1 349.563 3.290 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102472234 1365073605 /nfs/dbraw/zinc/07/36/05/1365073605.db2.gz PYMSXHCBZZCRHK-GUDVDZBRSA-N 2 1 339.568 3.227 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001102493121 1365085287 /nfs/dbraw/zinc/08/52/87/1365085287.db2.gz XJGCQXXBHGXPSA-CWHLKURSSA-N 2 1 349.563 3.147 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398206 1365535531 /nfs/dbraw/zinc/53/55/31/1365535531.db2.gz HPLPFRYRZJBWAK-GUDVDZBRSA-N 2 1 345.531 3.082 20 0 EGADMP C[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001103495767 1365597012 /nfs/dbraw/zinc/59/70/12/1365597012.db2.gz RXVBGJGIGDSDTO-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550576 1365629589 /nfs/dbraw/zinc/62/95/89/1365629589.db2.gz XMTSADTUFZTMME-BGGMYYEUSA-N 2 1 337.552 3.149 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001104264489 1365971878 /nfs/dbraw/zinc/97/18/78/1365971878.db2.gz OVLOFEVGTXLRNB-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001104290555 1365977151 /nfs/dbraw/zinc/97/71/51/1365977151.db2.gz CJRLTJMGCOQHNT-KURKYZTESA-N 2 1 346.519 3.025 20 0 EGADMP CCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001104369802 1365990807 /nfs/dbraw/zinc/99/08/07/1365990807.db2.gz GOIXGYOWDTZXJX-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+][C@H](CC)c2ccccc2)C1 ZINC001324817309 1387782840 /nfs/dbraw/zinc/78/28/40/1387782840.db2.gz FTUZMJJHIIWGGX-CTNGQTDRSA-N 2 1 345.531 3.308 20 0 EGADMP CC(C)[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104579245 1366085109 /nfs/dbraw/zinc/08/51/09/1366085109.db2.gz LNDWCGPRBGTMCG-QWFCFKBJSA-N 2 1 349.563 3.266 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1)CC(C)(C)C ZINC001185724307 1387785256 /nfs/dbraw/zinc/78/52/56/1387785256.db2.gz YWRBYWGVIULSAQ-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104753933 1366158130 /nfs/dbraw/zinc/15/81/30/1366158130.db2.gz VQSZLOHHHNXHCN-VAMGGRTRSA-N 2 1 349.563 3.290 20 0 EGADMP CCCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105395996 1366444580 /nfs/dbraw/zinc/44/45/80/1366444580.db2.gz GMAXIZTXYBBGBV-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001105395996 1366444581 /nfs/dbraw/zinc/44/45/81/1366444581.db2.gz GMAXIZTXYBBGBV-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001105395996 1366444583 /nfs/dbraw/zinc/44/45/83/1366444583.db2.gz GMAXIZTXYBBGBV-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2[NH+](CC(C)C)CC23CCC3)CC1 ZINC001105396480 1366445093 /nfs/dbraw/zinc/44/50/93/1366445093.db2.gz MTUHHFFDVMDVCF-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@@H]2[N@H+](CC(C)C)CC23CCC3)CC1 ZINC001105396480 1366445095 /nfs/dbraw/zinc/44/50/95/1366445095.db2.gz MTUHHFFDVMDVCF-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@@H]2[N@@H+](CC(C)C)CC23CCC3)CC1 ZINC001105396480 1366445099 /nfs/dbraw/zinc/44/50/99/1366445099.db2.gz MTUHHFFDVMDVCF-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)CCC1 ZINC001105563337 1366532944 /nfs/dbraw/zinc/53/29/44/1366532944.db2.gz KGHSWUAWCPINBZ-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105575094 1366539963 /nfs/dbraw/zinc/53/99/63/1366539963.db2.gz QSRISOUWJVBYRS-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105576856 1366541527 /nfs/dbraw/zinc/54/15/27/1366541527.db2.gz MOOMMMVKODQIIA-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)CCC1 ZINC001105579506 1366542934 /nfs/dbraw/zinc/54/29/34/1366542934.db2.gz PRVOBUREIGHXHE-IBGZPJMESA-N 2 1 349.563 3.434 20 0 EGADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001106272073 1366640107 /nfs/dbraw/zinc/64/01/07/1366640107.db2.gz RFFKNZWTCKNEON-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106571222 1366740455 /nfs/dbraw/zinc/74/04/55/1366740455.db2.gz PYGXMKCGFMGUGG-PFRNKHFKSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001106905120 1366829042 /nfs/dbraw/zinc/82/90/42/1366829042.db2.gz BJDXINIRDJVJTP-TYFAACHXSA-N 2 1 337.552 3.149 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CC(C)C)[C@H](C)C1 ZINC001106905156 1366829213 /nfs/dbraw/zinc/82/92/13/1366829213.db2.gz CLEFEFNEOPOISF-IPMKNSEASA-N 2 1 339.568 3.085 20 0 EGADMP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)(C)C)CC2)[NH+](C)C ZINC001107450117 1366968174 /nfs/dbraw/zinc/96/81/74/1366968174.db2.gz CXDOEWRGUSMVBM-MBOZVWFJSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(C)(C)C1)CC2 ZINC001107581802 1367055864 /nfs/dbraw/zinc/05/58/64/1367055864.db2.gz LVPSUTIPRYVHIJ-WIYYLYMNSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CC(C)(C)C1)CC2 ZINC001107598487 1367064986 /nfs/dbraw/zinc/06/49/86/1367064986.db2.gz FHNSBPONFSZVDL-WIYYLYMNSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(C)(C)C1)CC2 ZINC001107598487 1367064992 /nfs/dbraw/zinc/06/49/92/1367064992.db2.gz FHNSBPONFSZVDL-WIYYLYMNSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(C)(C)C1)CC2 ZINC001107598487 1367064997 /nfs/dbraw/zinc/06/49/97/1367064997.db2.gz FHNSBPONFSZVDL-WIYYLYMNSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001324956861 1387849959 /nfs/dbraw/zinc/84/99/59/1387849959.db2.gz GFXWZRKJDNHLCT-QUCCMNQESA-N 2 1 339.568 3.227 20 0 EGADMP O=C(C[NH+]1CCCC1)NC[C@]12CCC[C@H]1[N@@H+](CCC1CCCC1)CC2 ZINC001107634434 1367085558 /nfs/dbraw/zinc/08/55/58/1367085558.db2.gz ZNEKOLYEINLITQ-TZIWHRDSSA-N 2 1 347.547 3.023 20 0 EGADMP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCCC2)CCC1 ZINC001109403446 1367106249 /nfs/dbraw/zinc/10/62/49/1367106249.db2.gz HLETVWPBMUODBI-QYZOEREBSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1)C1CCC1 ZINC001109411631 1367109881 /nfs/dbraw/zinc/10/98/81/1367109881.db2.gz FBYGUMBFYCHAOA-AABGKKOBSA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1=CCCCC1)C1CCC1 ZINC001109411631 1367109885 /nfs/dbraw/zinc/10/98/85/1367109885.db2.gz FBYGUMBFYCHAOA-AABGKKOBSA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1=CCCCC1)C1CCC1 ZINC001109411631 1367109887 /nfs/dbraw/zinc/10/98/87/1367109887.db2.gz FBYGUMBFYCHAOA-AABGKKOBSA-N 2 1 345.531 3.083 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C)[NH+](C)C ZINC001109428299 1367116146 /nfs/dbraw/zinc/11/61/46/1367116146.db2.gz YSKWUNXKFUVIFP-OWSLCNJRSA-N 2 1 337.552 3.120 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCCC3CCCC3)C[C@H]21 ZINC001189892006 1367124255 /nfs/dbraw/zinc/12/42/55/1367124255.db2.gz VMFFOLHEVOCFAF-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21 ZINC001189892006 1367124258 /nfs/dbraw/zinc/12/42/58/1367124258.db2.gz VMFFOLHEVOCFAF-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21 ZINC001189892006 1367124261 /nfs/dbraw/zinc/12/42/61/1367124261.db2.gz VMFFOLHEVOCFAF-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001109489345 1367155358 /nfs/dbraw/zinc/15/53/58/1367155358.db2.gz RQMVCWJWMMHDBE-ZBHNHUSPSA-N 2 1 338.455 3.026 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109520006 1367173396 /nfs/dbraw/zinc/17/33/96/1367173396.db2.gz DWJCFBXFBKRJKA-RBLOLEQCSA-N 2 1 338.455 3.026 20 0 EGADMP C[N@@H+](CCCC1CCC1)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190178908 1367192280 /nfs/dbraw/zinc/19/22/80/1367192280.db2.gz XLCDHNPSVRFUNH-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190178929 1367192595 /nfs/dbraw/zinc/19/25/95/1367192595.db2.gz XUYXEWOXZZKREJ-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190178929 1367192601 /nfs/dbraw/zinc/19/26/01/1367192601.db2.gz XUYXEWOXZZKREJ-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190178929 1367192604 /nfs/dbraw/zinc/19/26/04/1367192604.db2.gz XUYXEWOXZZKREJ-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC2(CC2)CC1 ZINC001109868129 1367370375 /nfs/dbraw/zinc/37/03/75/1367370375.db2.gz CGFOYFWXMYESJN-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CCc1ccc(C[NH+](C)[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)CC)C2)cc1 ZINC001190997264 1367398243 /nfs/dbraw/zinc/39/82/43/1367398243.db2.gz SYEDOLCYTQGJEO-IBGZPJMESA-N 2 1 345.531 3.012 20 0 EGADMP CCc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C2)cc1 ZINC001190997264 1367398248 /nfs/dbraw/zinc/39/82/48/1367398248.db2.gz SYEDOLCYTQGJEO-IBGZPJMESA-N 2 1 345.531 3.012 20 0 EGADMP CCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C2)cc1 ZINC001190997264 1367398255 /nfs/dbraw/zinc/39/82/55/1367398255.db2.gz SYEDOLCYTQGJEO-IBGZPJMESA-N 2 1 345.531 3.012 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(F)ccc2C)C[C@H]1C ZINC001191416462 1367498891 /nfs/dbraw/zinc/49/88/91/1367498891.db2.gz IFTKDAXQAMDASI-NVXWUHKLSA-N 2 1 335.467 3.267 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc(F)ccc2C)C[C@H]1C ZINC001191416462 1367498895 /nfs/dbraw/zinc/49/88/95/1367498895.db2.gz IFTKDAXQAMDASI-NVXWUHKLSA-N 2 1 335.467 3.267 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc(F)ccc2C)C[C@H]1C ZINC001191416462 1367498896 /nfs/dbraw/zinc/49/88/96/1367498896.db2.gz IFTKDAXQAMDASI-NVXWUHKLSA-N 2 1 335.467 3.267 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191507043 1367517047 /nfs/dbraw/zinc/51/70/47/1367517047.db2.gz GVFINDSZGZDFMH-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CC[C@@H]([N@@H+](C)CCC(C)(C)C)C2)CCCC1 ZINC001191561501 1367528447 /nfs/dbraw/zinc/52/84/47/1367528447.db2.gz PDPURIAKJKKBBA-QGZVFWFLSA-N 2 1 337.552 3.220 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCC)C2 ZINC001108804803 1367606678 /nfs/dbraw/zinc/60/66/78/1367606678.db2.gz YOLFTLFAYMYUEC-LNMLPRMJSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH+](C)CCCC(C)C)C2)C1 ZINC001191921416 1367639481 /nfs/dbraw/zinc/63/94/81/1367639481.db2.gz CKHCYZIEYCEDBG-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCCC(C)C)C2)C1 ZINC001191921416 1367639486 /nfs/dbraw/zinc/63/94/86/1367639486.db2.gz CKHCYZIEYCEDBG-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCCC(C)C)C2)C1 ZINC001191921416 1367639491 /nfs/dbraw/zinc/63/94/91/1367639491.db2.gz CKHCYZIEYCEDBG-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCCC(C)C)C2)C1 ZINC001191921417 1367639586 /nfs/dbraw/zinc/63/95/86/1367639586.db2.gz CKHCYZIEYCEDBG-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCCC(C)C)C2)C1 ZINC001191921417 1367639589 /nfs/dbraw/zinc/63/95/89/1367639589.db2.gz CKHCYZIEYCEDBG-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCCC(C)C)C2)C1 ZINC001191921417 1367639595 /nfs/dbraw/zinc/63/95/95/1367639595.db2.gz CKHCYZIEYCEDBG-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192324510 1367750972 /nfs/dbraw/zinc/75/09/72/1367750972.db2.gz GSVJCQABTUDGDM-DBBWNDPISA-N 2 1 337.552 3.386 20 0 EGADMP C[N@@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192376837 1367767689 /nfs/dbraw/zinc/76/76/89/1367767689.db2.gz DJWUYWUJJGTHJW-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001192376837 1367767692 /nfs/dbraw/zinc/76/76/92/1367767692.db2.gz DJWUYWUJJGTHJW-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001192376837 1367767696 /nfs/dbraw/zinc/76/76/96/1367767696.db2.gz DJWUYWUJJGTHJW-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192655610 1367843438 /nfs/dbraw/zinc/84/34/38/1367843438.db2.gz NAQOUPPLWBXXMN-HKUYNNGSSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110626834 1367875046 /nfs/dbraw/zinc/87/50/46/1367875046.db2.gz SYGHRURLDVZEKJ-AKHDSKFASA-N 2 1 349.563 3.409 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001110626834 1367875052 /nfs/dbraw/zinc/87/50/52/1367875052.db2.gz SYGHRURLDVZEKJ-AKHDSKFASA-N 2 1 349.563 3.409 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001110626834 1367875056 /nfs/dbraw/zinc/87/50/56/1367875056.db2.gz SYGHRURLDVZEKJ-AKHDSKFASA-N 2 1 349.563 3.409 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110661095 1367904070 /nfs/dbraw/zinc/90/40/70/1367904070.db2.gz MRHPNRFZSDYUPI-WTGUMLROSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001110661095 1367904072 /nfs/dbraw/zinc/90/40/72/1367904072.db2.gz MRHPNRFZSDYUPI-WTGUMLROSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001110661095 1367904075 /nfs/dbraw/zinc/90/40/75/1367904075.db2.gz MRHPNRFZSDYUPI-WTGUMLROSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)C(C)C ZINC001192916672 1367904328 /nfs/dbraw/zinc/90/43/28/1367904328.db2.gz BLGPQEBYDJTTSI-WOJBJXKFSA-N 2 1 345.531 3.086 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCCC(C)C)C1)C(C)C ZINC001192918165 1367904848 /nfs/dbraw/zinc/90/48/48/1367904848.db2.gz XZSRMAWTBZHCFI-RBUKOAKNSA-N 2 1 339.568 3.322 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001193423490 1368025356 /nfs/dbraw/zinc/02/53/56/1368025356.db2.gz APQMUNILWUSEIK-IBGZPJMESA-N 2 1 337.552 3.388 20 0 EGADMP CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001193425134 1368027373 /nfs/dbraw/zinc/02/73/73/1368027373.db2.gz TYLGGYKTXPRBJC-GOSISDBHSA-N 2 1 325.541 3.221 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857473 1368037501 /nfs/dbraw/zinc/03/75/01/1368037501.db2.gz BZSDWGJTXDOJCR-QRVBRYPASA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110886120 1368059974 /nfs/dbraw/zinc/05/99/74/1368059974.db2.gz NAITYFFZKCJSGP-KURKYZTESA-N 2 1 335.536 3.019 20 0 EGADMP Cc1cc(C)cc(C[N@H+](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001193559813 1368061346 /nfs/dbraw/zinc/06/13/46/1368061346.db2.gz MCWYREKJYYNGPU-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193572038 1368065077 /nfs/dbraw/zinc/06/50/77/1368065077.db2.gz ZZGPBRNOWKLVAE-IBGZPJMESA-N 2 1 345.531 3.068 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001193612177 1368074508 /nfs/dbraw/zinc/07/45/08/1368074508.db2.gz ZZUNMRPXUQSVHZ-UYAOXDASSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001193612177 1368074514 /nfs/dbraw/zinc/07/45/14/1368074514.db2.gz ZZUNMRPXUQSVHZ-UYAOXDASSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001193612177 1368074524 /nfs/dbraw/zinc/07/45/24/1368074524.db2.gz ZZUNMRPXUQSVHZ-UYAOXDASSA-N 2 1 345.531 3.321 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001111018279 1368143431 /nfs/dbraw/zinc/14/34/31/1368143431.db2.gz PEBMBCSELYLKGK-ZHKKWTBGSA-N 2 1 335.536 3.185 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001111098659 1368158058 /nfs/dbraw/zinc/15/80/58/1368158058.db2.gz JUDIOELLUJHNLX-YSTOQKLRSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001111098659 1368158059 /nfs/dbraw/zinc/15/80/59/1368158059.db2.gz JUDIOELLUJHNLX-YSTOQKLRSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001111098659 1368158064 /nfs/dbraw/zinc/15/80/64/1368158064.db2.gz JUDIOELLUJHNLX-YSTOQKLRSA-N 2 1 349.563 3.407 20 0 EGADMP C[N@@H+](CC1=CCCCC1)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194072190 1368178671 /nfs/dbraw/zinc/17/86/71/1368178671.db2.gz NWACILNWVFKSJF-FQEVSTJZSA-N 2 1 347.547 3.286 20 0 EGADMP C[N@@H+](CCCC1CCC1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194079265 1368179000 /nfs/dbraw/zinc/17/90/00/1368179000.db2.gz ACUOFBDOWRLJLI-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP C[N@@H+](CC1CCCCC1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081482 1368179332 /nfs/dbraw/zinc/17/93/32/1368179332.db2.gz PYSJNNOMJYOGMS-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246538 1368217668 /nfs/dbraw/zinc/21/76/68/1368217668.db2.gz OGLDYXDJKXYWCD-RURPWVQCSA-N 2 1 343.515 3.251 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275190 1368222857 /nfs/dbraw/zinc/22/28/57/1368222857.db2.gz PSOWOMCBUZSJSB-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)CC)C2 ZINC001111270522 1368236692 /nfs/dbraw/zinc/23/66/92/1368236692.db2.gz VGOXZDSAECMHPQ-YSTOQKLRSA-N 2 1 343.515 3.201 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)CC)C2 ZINC001111270522 1368236697 /nfs/dbraw/zinc/23/66/97/1368236697.db2.gz VGOXZDSAECMHPQ-YSTOQKLRSA-N 2 1 343.515 3.201 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001111270522 1368236699 /nfs/dbraw/zinc/23/66/99/1368236699.db2.gz VGOXZDSAECMHPQ-YSTOQKLRSA-N 2 1 343.515 3.201 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001111270522 1368236703 /nfs/dbraw/zinc/23/67/03/1368236703.db2.gz VGOXZDSAECMHPQ-YSTOQKLRSA-N 2 1 343.515 3.201 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CCC(C)C)C2)o1 ZINC001194407083 1368254540 /nfs/dbraw/zinc/25/45/40/1368254540.db2.gz HDPFNXOXJADVRS-QGZVFWFLSA-N 2 1 349.519 3.314 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CC=C(C)C)C2)o1 ZINC001194408082 1368255196 /nfs/dbraw/zinc/25/51/96/1368255196.db2.gz OMNXWYZWSNHWFO-KRWDZBQOSA-N 2 1 347.503 3.234 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)(C)CC1 ZINC001111309217 1368262348 /nfs/dbraw/zinc/26/23/48/1368262348.db2.gz LUKGDXNNACUUBG-QRVBRYPASA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC(C)(C)CC1 ZINC001111309217 1368262351 /nfs/dbraw/zinc/26/23/51/1368262351.db2.gz LUKGDXNNACUUBG-QRVBRYPASA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC(C)(C)CC1 ZINC001111309217 1368262357 /nfs/dbraw/zinc/26/23/57/1368262357.db2.gz LUKGDXNNACUUBG-QRVBRYPASA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111464105 1368310747 /nfs/dbraw/zinc/31/07/47/1368310747.db2.gz IBUMTCVBAOQFMO-WTGUMLROSA-N 2 1 343.515 3.199 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111464105 1368310753 /nfs/dbraw/zinc/31/07/53/1368310753.db2.gz IBUMTCVBAOQFMO-WTGUMLROSA-N 2 1 343.515 3.199 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111464105 1368310756 /nfs/dbraw/zinc/31/07/56/1368310756.db2.gz IBUMTCVBAOQFMO-WTGUMLROSA-N 2 1 343.515 3.199 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C)[NH+]1CCCC1 ZINC001111467240 1368311692 /nfs/dbraw/zinc/31/16/92/1368311692.db2.gz BZHRMBHGLOHKKW-AKHDSKFASA-N 2 1 349.563 3.265 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001186405185 1387935214 /nfs/dbraw/zinc/93/52/14/1387935214.db2.gz QXARVGBKBGMBEQ-UYAOXDASSA-N 2 1 345.531 3.450 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001186419819 1387938923 /nfs/dbraw/zinc/93/89/23/1387938923.db2.gz GWLBJAQVQXDCCR-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001111816968 1368479649 /nfs/dbraw/zinc/47/96/49/1368479649.db2.gz GZWWYSAYWXMPLC-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111858290 1368509947 /nfs/dbraw/zinc/50/99/47/1368509947.db2.gz XSEIIBZCUXRXHF-GGVAOPBYSA-N 2 1 335.536 3.045 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001111870592 1368517762 /nfs/dbraw/zinc/51/77/62/1368517762.db2.gz FKWNEXMHIHNJSH-PTDRADOGSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001111870592 1368517767 /nfs/dbraw/zinc/51/77/67/1368517767.db2.gz FKWNEXMHIHNJSH-PTDRADOGSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001111870592 1368517769 /nfs/dbraw/zinc/51/77/69/1368517769.db2.gz FKWNEXMHIHNJSH-PTDRADOGSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001111870611 1368518149 /nfs/dbraw/zinc/51/81/49/1368518149.db2.gz GQTLNDAALUIPSR-PTDRADOGSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001111870611 1368518151 /nfs/dbraw/zinc/51/81/51/1368518151.db2.gz GQTLNDAALUIPSR-PTDRADOGSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001111870611 1368518154 /nfs/dbraw/zinc/51/81/54/1368518154.db2.gz GQTLNDAALUIPSR-PTDRADOGSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001196060212 1368541286 /nfs/dbraw/zinc/54/12/86/1368541286.db2.gz OVLQZVLLFVUXKG-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](C[C@H](C)CC(C)C)CC1 ZINC001196060212 1368541291 /nfs/dbraw/zinc/54/12/91/1368541291.db2.gz OVLQZVLLFVUXKG-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](C[C@H](C)CC(C)C)CC1 ZINC001196060212 1368541293 /nfs/dbraw/zinc/54/12/93/1368541293.db2.gz OVLQZVLLFVUXKG-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001196275947 1368582688 /nfs/dbraw/zinc/58/26/88/1368582688.db2.gz PCLJWCIBEAWMSJ-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001196275947 1368582691 /nfs/dbraw/zinc/58/26/91/1368582691.db2.gz PCLJWCIBEAWMSJ-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001196275947 1368582694 /nfs/dbraw/zinc/58/26/94/1368582694.db2.gz PCLJWCIBEAWMSJ-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001196889407 1368707334 /nfs/dbraw/zinc/70/73/34/1368707334.db2.gz CVNAAZZFKAOBQK-IBGZPJMESA-N 2 1 337.552 3.223 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001196889407 1368707338 /nfs/dbraw/zinc/70/73/38/1368707338.db2.gz CVNAAZZFKAOBQK-IBGZPJMESA-N 2 1 337.552 3.223 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001196889407 1368707343 /nfs/dbraw/zinc/70/73/43/1368707343.db2.gz CVNAAZZFKAOBQK-IBGZPJMESA-N 2 1 337.552 3.223 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001196935297 1368716302 /nfs/dbraw/zinc/71/63/02/1368716302.db2.gz OGCRAJRNZXBKLG-QGZVFWFLSA-N 2 1 349.519 3.171 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001196935297 1368716309 /nfs/dbraw/zinc/71/63/09/1368716309.db2.gz OGCRAJRNZXBKLG-QGZVFWFLSA-N 2 1 349.519 3.171 20 0 EGADMP CCCCCC[N@@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001196934953 1368716702 /nfs/dbraw/zinc/71/67/02/1368716702.db2.gz KMYGVLQQYOLUKB-UHFFFAOYSA-N 2 1 335.492 3.069 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001196934953 1368716706 /nfs/dbraw/zinc/71/67/06/1368716706.db2.gz KMYGVLQQYOLUKB-UHFFFAOYSA-N 2 1 335.492 3.069 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC[N@H+]([C@H](C)c2cc(C)ccc2C)CC1 ZINC001197511990 1368829746 /nfs/dbraw/zinc/82/97/46/1368829746.db2.gz SPEFCYCONHHYQQ-LJQANCHMSA-N 2 1 345.531 3.241 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](CC[C@H](C)F)CC1 ZINC001197795554 1368899597 /nfs/dbraw/zinc/89/95/97/1368899597.db2.gz XOUWVRZTNQHHEB-SFHVURJKSA-N 2 1 343.531 3.171 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[NH+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001197922411 1368924920 /nfs/dbraw/zinc/92/49/20/1368924920.db2.gz RONVCKHCZQZCTF-RBUKOAKNSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[N@H+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001197922411 1368924924 /nfs/dbraw/zinc/92/49/24/1368924924.db2.gz RONVCKHCZQZCTF-RBUKOAKNSA-N 2 1 337.552 3.079 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001198259860 1368992194 /nfs/dbraw/zinc/99/21/94/1368992194.db2.gz RZSWVCOBKLAUIN-PRPIBZDOSA-N 2 1 349.563 3.388 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198282756 1368996441 /nfs/dbraw/zinc/99/64/41/1368996441.db2.gz GQOFITLQULWPPL-LJQANCHMSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001198282756 1368996447 /nfs/dbraw/zinc/99/64/47/1368996447.db2.gz GQOFITLQULWPPL-LJQANCHMSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001198282756 1368996448 /nfs/dbraw/zinc/99/64/48/1368996448.db2.gz GQOFITLQULWPPL-LJQANCHMSA-N 2 1 349.494 3.151 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198364397 1369016706 /nfs/dbraw/zinc/01/67/06/1369016706.db2.gz UFKAPSKHEAKNCD-ONEGZZNKSA-N 2 1 335.536 3.143 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186596805 1387979202 /nfs/dbraw/zinc/97/92/02/1387979202.db2.gz ALHPVRNEYBLFGN-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001112964836 1369112368 /nfs/dbraw/zinc/11/23/68/1369112368.db2.gz ABXZVQPPQVUWLK-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC/C=C/CC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001113252525 1369293448 /nfs/dbraw/zinc/29/34/48/1369293448.db2.gz VBBYLPDFQXLACN-WUUFJKRQSA-N 2 1 347.547 3.284 20 0 EGADMP CC/C=C/CC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001113252525 1369293451 /nfs/dbraw/zinc/29/34/51/1369293451.db2.gz VBBYLPDFQXLACN-WUUFJKRQSA-N 2 1 347.547 3.284 20 0 EGADMP Cc1nc2ccccn2c1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001200095911 1369314707 /nfs/dbraw/zinc/31/47/07/1369314707.db2.gz PBBMXARQFZSSGH-HXUWFJFHSA-N 2 1 348.494 3.297 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001113439813 1369429917 /nfs/dbraw/zinc/42/99/17/1369429917.db2.gz WBZILBRMWXIJLF-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001200893540 1369444813 /nfs/dbraw/zinc/44/48/13/1369444813.db2.gz DUYDCQVHRGNIBB-RURPWVQCSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](C)CC(C)C)CC1 ZINC001200894327 1369445260 /nfs/dbraw/zinc/44/52/60/1369445260.db2.gz PHGOWSJRVJVKBP-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201053422 1369472919 /nfs/dbraw/zinc/47/29/19/1369472919.db2.gz OSOFLTOQTUVQFU-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC001201321532 1369518625 /nfs/dbraw/zinc/51/86/25/1369518625.db2.gz OPXSVCKNRDZEIE-XFXZXTDPSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001201400803 1369537323 /nfs/dbraw/zinc/53/73/23/1369537323.db2.gz VIONZQHQCPBJQL-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CNC(=O)C[N@H+]1CCCC12CC[NH+](C[C@H](C)CCC=C(C)C)CC2 ZINC001201486175 1369555450 /nfs/dbraw/zinc/55/54/50/1369555450.db2.gz NASMPAPKRLKBHK-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[C@H](C)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001201543871 1369569306 /nfs/dbraw/zinc/56/93/06/1369569306.db2.gz LLVBNTRKDJIFKK-DFQSSKMNSA-N 2 1 331.504 3.041 20 0 EGADMP COc1cc2c(cc1CN[C@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)OCO2 ZINC001201947035 1369649587 /nfs/dbraw/zinc/64/95/87/1369649587.db2.gz QJAGLRWATMQSMX-CABCVRRESA-N 2 1 346.471 3.167 20 0 EGADMP COc1cc2c(cc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C3CCC3)C1)OCO2 ZINC001201947035 1369649588 /nfs/dbraw/zinc/64/95/88/1369649588.db2.gz QJAGLRWATMQSMX-CABCVRRESA-N 2 1 346.471 3.167 20 0 EGADMP COc1cc2c(cc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)OCO2 ZINC001201947035 1369649590 /nfs/dbraw/zinc/64/95/90/1369649590.db2.gz QJAGLRWATMQSMX-CABCVRRESA-N 2 1 346.471 3.167 20 0 EGADMP CC(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001202156843 1369703366 /nfs/dbraw/zinc/70/33/66/1369703366.db2.gz LXZFCPYRWOIBCF-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](CC1CCOCC1)CC2 ZINC001202561156 1369807286 /nfs/dbraw/zinc/80/72/86/1369807286.db2.gz BVRWUIDSZFHUFD-UHFFFAOYSA-N 2 1 343.515 3.185 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CC3CCOCC3)C[C@H]21 ZINC001202579265 1369811872 /nfs/dbraw/zinc/81/18/72/1369811872.db2.gz QAKISIYYORPKLP-CEWLAPEOSA-N 2 1 343.515 3.041 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CC3CCOCC3)C[C@H]21 ZINC001202579265 1369811876 /nfs/dbraw/zinc/81/18/76/1369811876.db2.gz QAKISIYYORPKLP-CEWLAPEOSA-N 2 1 343.515 3.041 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC001202579265 1369811881 /nfs/dbraw/zinc/81/18/81/1369811881.db2.gz QAKISIYYORPKLP-CEWLAPEOSA-N 2 1 343.515 3.041 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21 ZINC001202579265 1369811883 /nfs/dbraw/zinc/81/18/83/1369811883.db2.gz QAKISIYYORPKLP-CEWLAPEOSA-N 2 1 343.515 3.041 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001186982120 1388035200 /nfs/dbraw/zinc/03/52/00/1388035200.db2.gz XSLYZUGAXHZBKT-VRKMBTERSA-N 2 1 335.536 3.188 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1C[NH+](C)C ZINC001114356126 1369909766 /nfs/dbraw/zinc/90/97/66/1369909766.db2.gz YZQCWJXTIWFQQH-FVQHAEBGSA-N 2 1 349.544 3.050 20 0 EGADMP CCC1(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)COC1 ZINC001202958657 1369936208 /nfs/dbraw/zinc/93/62/08/1369936208.db2.gz TXKGQWUTKCFAEC-YSIASYRMSA-N 2 1 343.515 3.041 20 0 EGADMP CCC1(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)COC1 ZINC001202958657 1369936212 /nfs/dbraw/zinc/93/62/12/1369936212.db2.gz TXKGQWUTKCFAEC-YSIASYRMSA-N 2 1 343.515 3.041 20 0 EGADMP CCC1(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)COC1 ZINC001202958657 1369936215 /nfs/dbraw/zinc/93/62/15/1369936215.db2.gz TXKGQWUTKCFAEC-YSIASYRMSA-N 2 1 343.515 3.041 20 0 EGADMP CCC1(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)COC1 ZINC001202958657 1369936220 /nfs/dbraw/zinc/93/62/20/1369936220.db2.gz TXKGQWUTKCFAEC-YSIASYRMSA-N 2 1 343.515 3.041 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203035543 1369962350 /nfs/dbraw/zinc/96/23/50/1369962350.db2.gz CCGVXFXCJDFPON-ASIGSXEYSA-N 2 1 347.547 3.234 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccco3)C[C@H]21 ZINC001203278178 1370057113 /nfs/dbraw/zinc/05/71/13/1370057113.db2.gz DZRJOWNCQFVZRT-PWIZWCRZSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccco3)C[C@H]21 ZINC001203278178 1370057117 /nfs/dbraw/zinc/05/71/17/1370057117.db2.gz DZRJOWNCQFVZRT-PWIZWCRZSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccco3)C[C@H]21 ZINC001203278178 1370057124 /nfs/dbraw/zinc/05/71/24/1370057124.db2.gz DZRJOWNCQFVZRT-PWIZWCRZSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccco3)C[C@H]21 ZINC001203278178 1370057132 /nfs/dbraw/zinc/05/71/32/1370057132.db2.gz DZRJOWNCQFVZRT-PWIZWCRZSA-N 2 1 325.456 3.407 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC001203278178 1370057141 /nfs/dbraw/zinc/05/71/41/1370057141.db2.gz DZRJOWNCQFVZRT-PWIZWCRZSA-N 2 1 325.456 3.407 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccco3)C[C@H]21 ZINC001203278178 1370057145 /nfs/dbraw/zinc/05/71/45/1370057145.db2.gz DZRJOWNCQFVZRT-PWIZWCRZSA-N 2 1 325.456 3.407 20 0 EGADMP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001203313483 1370078423 /nfs/dbraw/zinc/07/84/23/1370078423.db2.gz RMXWWIWFAVMCGD-PXNSSMCTSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203420940 1370118849 /nfs/dbraw/zinc/11/88/49/1370118849.db2.gz XZTXBRUCKQUBQN-QZTJIDSGSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001203852779 1370289518 /nfs/dbraw/zinc/28/95/18/1370289518.db2.gz DRSYUFMVZUVONN-CALCHBBNSA-N 2 1 335.536 3.020 20 0 EGADMP COc1cc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)cc(OC)c1 ZINC001203856187 1370291033 /nfs/dbraw/zinc/29/10/33/1370291033.db2.gz VSRDQRGCDVVPEN-UHFFFAOYSA-N 2 1 341.455 3.146 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C)c1)C2 ZINC001203890082 1370300517 /nfs/dbraw/zinc/30/05/17/1370300517.db2.gz DVSIWYVBHASLBG-SFTDATJTSA-N 2 1 328.500 3.175 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(C)c1)C2 ZINC001203890082 1370300520 /nfs/dbraw/zinc/30/05/20/1370300520.db2.gz DVSIWYVBHASLBG-SFTDATJTSA-N 2 1 328.500 3.175 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(C)c1)C2 ZINC001203890082 1370300525 /nfs/dbraw/zinc/30/05/25/1370300525.db2.gz DVSIWYVBHASLBG-SFTDATJTSA-N 2 1 328.500 3.175 20 0 EGADMP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c(OC)c1C ZINC001204266114 1370427141 /nfs/dbraw/zinc/42/71/41/1370427141.db2.gz LDMBTROQQVJNJY-UHFFFAOYSA-N 2 1 341.455 3.038 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115450920 1370458994 /nfs/dbraw/zinc/45/89/94/1370458994.db2.gz TYZNBOWKYRTDDX-ZWKOTPCHSA-N 2 1 337.552 3.172 20 0 EGADMP CC(=O)n1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c2ccccc21 ZINC001204410232 1370469370 /nfs/dbraw/zinc/46/93/70/1370469370.db2.gz MKEWUGYQOFJVHY-UHFFFAOYSA-N 2 1 325.456 3.219 20 0 EGADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)oc1C ZINC001204533595 1370507226 /nfs/dbraw/zinc/50/72/26/1370507226.db2.gz MNTQETPWYKYATR-UYAOXDASSA-N 2 1 332.488 3.077 20 0 EGADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)oc1C ZINC001204533595 1370507230 /nfs/dbraw/zinc/50/72/30/1370507230.db2.gz MNTQETPWYKYATR-UYAOXDASSA-N 2 1 332.488 3.077 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)oc1C ZINC001204533595 1370507234 /nfs/dbraw/zinc/50/72/34/1370507234.db2.gz MNTQETPWYKYATR-UYAOXDASSA-N 2 1 332.488 3.077 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)oc1C ZINC001204533595 1370507238 /nfs/dbraw/zinc/50/72/38/1370507238.db2.gz MNTQETPWYKYATR-UYAOXDASSA-N 2 1 332.488 3.077 20 0 EGADMP Cc1nc[nH]c1C[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001204589101 1370525058 /nfs/dbraw/zinc/52/50/58/1370525058.db2.gz FABCSWTYCPJOBI-GOSISDBHSA-N 2 1 328.460 3.188 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536757 1370533634 /nfs/dbraw/zinc/53/36/34/1370533634.db2.gz GOBZFDKEWJJACE-OALUTQOASA-N 2 1 349.563 3.316 20 0 EGADMP CCCCC[NH2+]C1(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115537139 1370534233 /nfs/dbraw/zinc/53/42/33/1370534233.db2.gz YAJGYAGCEIFNQF-RBUKOAKNSA-N 2 1 349.563 3.460 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1([NH2+]CC(C)C)CCCCC1 ZINC001115544940 1370542131 /nfs/dbraw/zinc/54/21/31/1370542131.db2.gz JCUKMHKTXLJPSC-KRWDZBQOSA-N 2 1 348.535 3.461 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115562932 1370562885 /nfs/dbraw/zinc/56/28/85/1370562885.db2.gz MBTWTMKVNWBHSX-SFHVURJKSA-N 2 1 335.536 3.070 20 0 EGADMP Cc1cc(-c2cccc(Cl)c2)ncc1C[N@@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204754812 1370566840 /nfs/dbraw/zinc/56/68/40/1370566840.db2.gz AHUAIMFUSVIODP-SFHVURJKSA-N 2 1 345.874 3.260 20 0 EGADMP Cc1cc(-c2cccc(Cl)c2)ncc1C[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204754812 1370566841 /nfs/dbraw/zinc/56/68/41/1370566841.db2.gz AHUAIMFUSVIODP-SFHVURJKSA-N 2 1 345.874 3.260 20 0 EGADMP C[N@@H+](CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1)C1CCC1 ZINC001115574776 1370577989 /nfs/dbraw/zinc/57/79/89/1370577989.db2.gz PPNQWKPCGVMVRO-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)Cc1ccccc1Br ZINC001204877772 1370595266 /nfs/dbraw/zinc/59/52/66/1370595266.db2.gz PFFXGWMJELVMMQ-YPMHNXCESA-N 2 1 347.247 3.372 20 0 EGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)Cc1ccccc1Br ZINC001204877772 1370595268 /nfs/dbraw/zinc/59/52/68/1370595268.db2.gz PFFXGWMJELVMMQ-YPMHNXCESA-N 2 1 347.247 3.372 20 0 EGADMP C[N@@H+](CCc1cccc(C(F)(F)F)n1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001204885181 1370596319 /nfs/dbraw/zinc/59/63/19/1370596319.db2.gz MLVKAUJEAJXZRI-UHFFFAOYSA-N 2 1 349.400 3.421 20 0 EGADMP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115598010 1370597992 /nfs/dbraw/zinc/59/79/92/1370597992.db2.gz FHKQSIKGPVNCQW-SFHVURJKSA-N 2 1 337.552 3.316 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]CCCC(C)(C)C)CCCCC1 ZINC001115630176 1370622952 /nfs/dbraw/zinc/62/29/52/1370622952.db2.gz CUOAUTBUEGFJHN-UHFFFAOYSA-N 2 1 348.535 3.427 20 0 EGADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(Br)c3cccnc23)CC1 ZINC001205116737 1370654669 /nfs/dbraw/zinc/65/46/69/1370654669.db2.gz HLHMLGPZXHHDHA-CYBMUJFWSA-N 2 1 334.261 3.311 20 0 EGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)CC1 ZINC001205116737 1370654675 /nfs/dbraw/zinc/65/46/75/1370654675.db2.gz HLHMLGPZXHHDHA-CYBMUJFWSA-N 2 1 334.261 3.311 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3cccc(Cl)c3)o2)CC1 ZINC001205208758 1370680905 /nfs/dbraw/zinc/68/09/05/1370680905.db2.gz FVXYGIGSSYELDH-GOSISDBHSA-N 2 1 334.847 3.276 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001205241411 1370692130 /nfs/dbraw/zinc/69/21/30/1370692130.db2.gz DOMXUWAYIVJQSY-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3cc(Br)cnc23)CC1 ZINC001205281035 1370704554 /nfs/dbraw/zinc/70/45/54/1370704554.db2.gz OKHUIZYYXGQMPH-HNNXBMFYSA-N 2 1 337.265 3.029 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)ccc1OC(F)(F)F ZINC001205296505 1370710994 /nfs/dbraw/zinc/71/09/94/1370710994.db2.gz QIPLYYPZFGMZDH-OAHLLOKOSA-N 2 1 332.366 3.297 20 0 EGADMP CCCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001205297231 1370711124 /nfs/dbraw/zinc/71/11/24/1370711124.db2.gz QIZRPZJCQZKJLI-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115729883 1370711783 /nfs/dbraw/zinc/71/17/83/1370711783.db2.gz WUMIVITZHNRCMN-SFHVURJKSA-N 2 1 349.563 3.460 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCCCC1 ZINC001115730140 1370712044 /nfs/dbraw/zinc/71/20/44/1370712044.db2.gz DBMPIEAPJLCPQO-UHFFFAOYSA-N 2 1 325.541 3.173 20 0 EGADMP CC[C@@H](C)C[NH2+]C1(CNC(=O)C[N@H+]2CCC(C)(C)C2)CCCCC1 ZINC001115730019 1370712379 /nfs/dbraw/zinc/71/23/79/1370712379.db2.gz BBDIBAGPBHMDKS-QGZVFWFLSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001115729887 1370712471 /nfs/dbraw/zinc/71/24/71/1370712471.db2.gz WWSGRZUHHSPFAV-QGZVFWFLSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H](F)CC[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCCCC1 ZINC001115730545 1370713209 /nfs/dbraw/zinc/71/32/09/1370713209.db2.gz NGPSHBPMFJXFPM-MRXNPFEDSA-N 2 1 343.531 3.121 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCCCC1 ZINC001115730716 1370713810 /nfs/dbraw/zinc/71/38/10/1370713810.db2.gz QLFCEOAWVHSWCP-UHFFFAOYSA-N 2 1 325.541 3.029 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C[C@@H]1C[NH3+] ZINC001205305926 1370715630 /nfs/dbraw/zinc/71/56/30/1370715630.db2.gz UNWCAALHCSEMQC-NEPJUHHUSA-N 2 1 336.277 3.347 20 0 EGADMP COc1ccc2c(OC)ccc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)c2c1 ZINC001205318294 1370720325 /nfs/dbraw/zinc/72/03/25/1370720325.db2.gz TYRNULWBRADDEG-HOCLYGCPSA-N 2 1 328.456 3.274 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115805774 1370789165 /nfs/dbraw/zinc/78/91/65/1370789165.db2.gz FZAPOXBGRHUKKT-UHFFFAOYSA-N 2 1 335.536 3.237 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)CC1 ZINC001205558115 1370790855 /nfs/dbraw/zinc/79/08/55/1370790855.db2.gz BWUPJFUSEITQGQ-SFHVURJKSA-N 2 1 348.853 3.450 20 0 EGADMP CCn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001205563386 1370793064 /nfs/dbraw/zinc/79/30/64/1370793064.db2.gz OMDHYDJXASHPTF-NHCUHLMSSA-N 2 1 338.499 3.247 20 0 EGADMP CCn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001205563386 1370793068 /nfs/dbraw/zinc/79/30/68/1370793068.db2.gz OMDHYDJXASHPTF-NHCUHLMSSA-N 2 1 338.499 3.247 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(OC)cc1Cl ZINC001205579227 1370798819 /nfs/dbraw/zinc/79/88/19/1370798819.db2.gz LGJHRWLLTSZMAA-MRXNPFEDSA-N 2 1 330.831 3.010 20 0 EGADMP Cc1sc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Br ZINC001205579181 1370798917 /nfs/dbraw/zinc/79/89/17/1370798917.db2.gz KZQWDTIBWNLPBB-CYBMUJFWSA-N 2 1 335.286 3.472 20 0 EGADMP CC(C)Oc1c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc(F)c1F ZINC001205591140 1370802700 /nfs/dbraw/zinc/80/27/00/1370802700.db2.gz FIFKADXTURPCPU-KRWDZBQOSA-N 2 1 330.394 3.405 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(OC)c1Cl ZINC001205592338 1370803484 /nfs/dbraw/zinc/80/34/84/1370803484.db2.gz TXSXICIYARCBEY-INIZCTEOSA-N 2 1 330.831 3.010 20 0 EGADMP COc1ccc(-c2ccncc2)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205592586 1370803614 /nfs/dbraw/zinc/80/36/14/1370803614.db2.gz WQNXAUFJSOJOLZ-HXUWFJFHSA-N 2 1 343.446 3.410 20 0 EGADMP COC1CC[NH+](C2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)CC1 ZINC001205612227 1370810043 /nfs/dbraw/zinc/81/00/43/1370810043.db2.gz SIVGSHLFQFHTDY-UHFFFAOYSA-N 2 1 327.472 3.243 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cccc(F)c2Br)CC[C@@H]1C[NH3+] ZINC001205616909 1370811438 /nfs/dbraw/zinc/81/14/38/1370811438.db2.gz HNIGPISZEHLTNB-VXGBXAGGSA-N 2 1 329.257 3.395 20 0 EGADMP CCOC(=O)c1[nH]c2ccccc2c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205617758 1370813244 /nfs/dbraw/zinc/81/32/44/1370813244.db2.gz NEKLTTRBMSPJLH-CABCVRRESA-N 2 1 343.471 3.151 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3F)nc2)CC[C@@H]1C[NH3+] ZINC001205625946 1370816060 /nfs/dbraw/zinc/81/60/60/1370816060.db2.gz CUEQIZJFFXWTBC-GOEBONIOSA-N 2 1 328.435 3.090 20 0 EGADMP CC(C)Oc1ncc(Cl)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205635424 1370820839 /nfs/dbraw/zinc/82/08/39/1370820839.db2.gz AIDHXBYJNBACNR-UONOGXRCSA-N 2 1 325.884 3.329 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001205673838 1370838237 /nfs/dbraw/zinc/83/82/37/1370838237.db2.gz URBRXMMLHXDZLM-FQEVSTJZSA-N 2 1 328.431 3.168 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc(F)c(Oc3ccccc3)c2)C1 ZINC001205688347 1370843121 /nfs/dbraw/zinc/84/31/21/1370843121.db2.gz GDOCMRKZADNWFD-FQEVSTJZSA-N 2 1 344.430 3.294 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(F)c(Oc3ccccc3)c2)C1 ZINC001205688347 1370843126 /nfs/dbraw/zinc/84/31/26/1370843126.db2.gz GDOCMRKZADNWFD-FQEVSTJZSA-N 2 1 344.430 3.294 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)C1 ZINC001205690841 1370843421 /nfs/dbraw/zinc/84/34/21/1370843421.db2.gz XYVZITMKDGPQCY-CQSZACIVSA-N 2 1 336.785 3.035 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)C1 ZINC001205690841 1370843423 /nfs/dbraw/zinc/84/34/23/1370843423.db2.gz XYVZITMKDGPQCY-CQSZACIVSA-N 2 1 336.785 3.035 20 0 EGADMP Cc1ccc(Oc2cccc(C[N@H+]3CCCC[C@@](O)(C[NH3+])C3)c2)cc1 ZINC001205689706 1370843438 /nfs/dbraw/zinc/84/34/38/1370843438.db2.gz QQLFQJYHMUBYLD-OAQYLSRUSA-N 2 1 340.467 3.463 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001205688378 1370843678 /nfs/dbraw/zinc/84/36/78/1370843678.db2.gz GUUUXNWLVISVTK-HXUWFJFHSA-N 2 1 344.430 3.294 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001205717038 1370850582 /nfs/dbraw/zinc/85/05/82/1370850582.db2.gz OEYBYKZULYUATD-XHSDSOJGSA-N 2 1 339.524 3.142 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001205717038 1370850591 /nfs/dbraw/zinc/85/05/91/1370850591.db2.gz OEYBYKZULYUATD-XHSDSOJGSA-N 2 1 339.524 3.142 20 0 EGADMP CN(C)c1cc(Nc2ccc(C3([NH+]4CCOCC4)CC3)cc2)cc[nH+]1 ZINC001205798493 1370875396 /nfs/dbraw/zinc/87/53/96/1370875396.db2.gz LUQPPWPAZLXPAL-UHFFFAOYSA-N 2 1 338.455 3.213 20 0 EGADMP COc1ccc(Br)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001205996017 1370933221 /nfs/dbraw/zinc/93/32/21/1370933221.db2.gz TVSLJSAUBKLGFN-QWHCGFSZSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccc(Br)nc2Cl)CCC[C@H]1C[NH3+] ZINC001206004140 1370935575 /nfs/dbraw/zinc/93/55/75/1370935575.db2.gz QQKCRPHNLNAYRE-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(Br)nc2Cl)CCC[C@H]1C[NH3+] ZINC001206004140 1370935576 /nfs/dbraw/zinc/93/55/76/1370935576.db2.gz QQKCRPHNLNAYRE-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP COc1cc(Cl)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(OC)c1 ZINC001206012618 1370938301 /nfs/dbraw/zinc/93/83/01/1370938301.db2.gz MZXHAMZOCOLECG-OLZOCXBDSA-N 2 1 326.868 3.164 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(OC(F)(F)F)c1 ZINC001206013985 1370938829 /nfs/dbraw/zinc/93/88/29/1370938829.db2.gz UQAISESYAAVQMJ-CHWSQXEVSA-N 2 1 346.393 3.401 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2csc(-c3ccc(O)cc3)n2)CCC[C@@H]1C[NH3+] ZINC001206024589 1370942103 /nfs/dbraw/zinc/94/21/03/1370942103.db2.gz KJJLKZPXDSOVKA-UKRRQHHQSA-N 2 1 331.485 3.323 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccnc(OCc3ccccc3)c2)CCC[C@@H]1C[NH3+] ZINC001206036732 1370945055 /nfs/dbraw/zinc/94/50/55/1370945055.db2.gz PCWZGWSKAUKSFZ-FXAWDEMLSA-N 2 1 339.483 3.467 20 0 EGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C(F)(F)C(=O)OCC)C1 ZINC001206084717 1370956880 /nfs/dbraw/zinc/95/68/80/1370956880.db2.gz MJGIKXBEHPPRHN-QLFBSQMISA-N 2 1 334.451 3.064 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C(F)(F)C(=O)OCC)C1 ZINC001206084717 1370956881 /nfs/dbraw/zinc/95/68/81/1370956881.db2.gz MJGIKXBEHPPRHN-QLFBSQMISA-N 2 1 334.451 3.064 20 0 EGADMP [NH3+][C@H]1CC[N@H+](CCCc2ccccc2Br)CC[C@H]1F ZINC001206157488 1370974445 /nfs/dbraw/zinc/97/44/45/1370974445.db2.gz YZZHLOHZCOERCW-CABCVRRESA-N 2 1 329.257 3.143 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](CCCc2ccccc2Br)CC[C@H]1F ZINC001206157488 1370974447 /nfs/dbraw/zinc/97/44/47/1370974447.db2.gz YZZHLOHZCOERCW-CABCVRRESA-N 2 1 329.257 3.143 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1 ZINC001206275151 1371009876 /nfs/dbraw/zinc/00/98/76/1371009876.db2.gz ONHOYJKEWCLWPH-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC001206297641 1371015224 /nfs/dbraw/zinc/01/52/24/1371015224.db2.gz ZBNCWKZFBNOAAZ-SFTDATJTSA-N 2 1 329.532 3.492 20 0 EGADMP Cn1ccc(C[N@@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001206310103 1371017996 /nfs/dbraw/zinc/01/79/96/1371017996.db2.gz UVPJVGTZRSESCO-UHFFFAOYSA-N 2 1 338.499 3.298 20 0 EGADMP Cn1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001206310103 1371017998 /nfs/dbraw/zinc/01/79/98/1371017998.db2.gz UVPJVGTZRSESCO-UHFFFAOYSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(OCc3ccccc3)no2)CC1 ZINC001206318942 1371019675 /nfs/dbraw/zinc/01/96/75/1371019675.db2.gz VLMXYCMEWCIHTJ-LJQANCHMSA-N 2 1 329.444 3.205 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1OC(=O)C(C)C ZINC001206317517 1371020144 /nfs/dbraw/zinc/02/01/44/1371020144.db2.gz GNKRZVBZZLEAKM-FQEVSTJZSA-N 2 1 348.487 3.208 20 0 EGADMP CC(C)=CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206487289 1371070566 /nfs/dbraw/zinc/07/05/66/1371070566.db2.gz BNWZWOZPMCLHBE-LJQANCHMSA-N 2 1 335.536 3.044 20 0 EGADMP Cc1ccc(Br)c(C[NH+]2CCC(CC[NH3+])CC2)c1F ZINC001206506779 1371076960 /nfs/dbraw/zinc/07/69/60/1371076960.db2.gz PKNVSCGIGBDNSG-UHFFFAOYSA-N 2 1 329.257 3.457 20 0 EGADMP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206548955 1371090057 /nfs/dbraw/zinc/09/00/57/1371090057.db2.gz SJGZXBOOOXTILB-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)ccc1OC(F)F ZINC001206548128 1371090352 /nfs/dbraw/zinc/09/03/52/1371090352.db2.gz HDJZCTURWBFMCP-QGZVFWFLSA-N 2 1 328.403 3.248 20 0 EGADMP CC(C)(C)C(=O)Nc1ncccc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206550054 1371091616 /nfs/dbraw/zinc/09/16/16/1371091616.db2.gz UHGAOVRCINBIAX-LJQANCHMSA-N 2 1 332.492 3.017 20 0 EGADMP CC(C)(C)C(=O)Nc1ncccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206550054 1371091620 /nfs/dbraw/zinc/09/16/20/1371091620.db2.gz UHGAOVRCINBIAX-LJQANCHMSA-N 2 1 332.492 3.017 20 0 EGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(O)c(OC(F)(F)F)c2)C1 ZINC001206573882 1371097536 /nfs/dbraw/zinc/09/75/36/1371097536.db2.gz OQWNHQXZIZOQRQ-HNNXBMFYSA-N 2 1 332.366 3.242 20 0 EGADMP CC(C)[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206592271 1371102016 /nfs/dbraw/zinc/10/20/16/1371102016.db2.gz ZZRKKWKCFDLDED-GOSISDBHSA-N 2 1 330.451 3.364 20 0 EGADMP COC(=O)c1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC001206599703 1371105362 /nfs/dbraw/zinc/10/53/62/1371105362.db2.gz VTISBYTXCPESDC-MRXNPFEDSA-N 2 1 338.879 3.479 20 0 EGADMP COC(=O)c1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC001206599703 1371105367 /nfs/dbraw/zinc/10/53/67/1371105367.db2.gz VTISBYTXCPESDC-MRXNPFEDSA-N 2 1 338.879 3.479 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001206624321 1371111511 /nfs/dbraw/zinc/11/15/11/1371111511.db2.gz UQUNAAXXILPKRV-HNNXBMFYSA-N 2 1 330.863 3.358 20 0 EGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1c[nH]c2c1cccc2Br ZINC001206771331 1371159353 /nfs/dbraw/zinc/15/93/53/1371159353.db2.gz VZDBCHJITYAMRM-VXGBXAGGSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1c[nH]c2c1cccc2Br ZINC001206771331 1371159356 /nfs/dbraw/zinc/15/93/56/1371159356.db2.gz VZDBCHJITYAMRM-VXGBXAGGSA-N 2 1 336.277 3.490 20 0 EGADMP CC[C@H]([NH2+]CC1CCN(C(=O)CC[N@@H+](C)CC)CC1)c1ccccc1 ZINC001206779726 1371162699 /nfs/dbraw/zinc/16/26/99/1371162699.db2.gz LXNLGKYBKFRQBA-FQEVSTJZSA-N 2 1 345.531 3.308 20 0 EGADMP Cc1[nH+]cc(CN2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)n1C ZINC001206794422 1371169328 /nfs/dbraw/zinc/16/93/28/1371169328.db2.gz YJDUOSVSAUSJDJ-ACRUOGEOSA-N 2 1 338.499 3.339 20 0 EGADMP Cc1[nH+]cc(CN2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)n1C ZINC001206794422 1371169329 /nfs/dbraw/zinc/16/93/29/1371169329.db2.gz YJDUOSVSAUSJDJ-ACRUOGEOSA-N 2 1 338.499 3.339 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]CCCC3CCCC3)CC2)C1 ZINC001206872410 1371198986 /nfs/dbraw/zinc/19/89/86/1371198986.db2.gz CJDWIYYWKULOGL-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP c1ccc(N2CCCC2)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC001118568196 1371199606 /nfs/dbraw/zinc/19/96/06/1371199606.db2.gz MROWWBWREOBMKR-IBGZPJMESA-N 2 1 327.516 3.498 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001206952283 1371243037 /nfs/dbraw/zinc/24/30/37/1371243037.db2.gz IAKHIQNKIDNIFB-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CCc1nccn1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001207007814 1371264249 /nfs/dbraw/zinc/26/42/49/1371264249.db2.gz SIKWWQSSXFXYLS-BRWVUGGUSA-N 2 1 348.535 3.269 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001207007814 1371264252 /nfs/dbraw/zinc/26/42/52/1371264252.db2.gz SIKWWQSSXFXYLS-BRWVUGGUSA-N 2 1 348.535 3.269 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001207007814 1371264255 /nfs/dbraw/zinc/26/42/55/1371264255.db2.gz SIKWWQSSXFXYLS-BRWVUGGUSA-N 2 1 348.535 3.269 20 0 EGADMP Cc1cnc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cn1 ZINC001207074620 1371286866 /nfs/dbraw/zinc/28/68/66/1371286866.db2.gz CFFRYHLJVIZQKL-LJQANCHMSA-N 2 1 340.471 3.255 20 0 EGADMP Cc1cnc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001207082132 1371289018 /nfs/dbraw/zinc/28/90/18/1371289018.db2.gz GIYZQUJGPQOUIL-VQTJNVASSA-N 2 1 336.483 3.129 20 0 EGADMP Cc1cnc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001207082132 1371289023 /nfs/dbraw/zinc/28/90/23/1371289023.db2.gz GIYZQUJGPQOUIL-VQTJNVASSA-N 2 1 336.483 3.129 20 0 EGADMP Cc1cnc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001207082132 1371289024 /nfs/dbraw/zinc/28/90/24/1371289024.db2.gz GIYZQUJGPQOUIL-VQTJNVASSA-N 2 1 336.483 3.129 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH+]1CCC(Oc2cnc3ccccc3n2)CC1 ZINC001207288463 1371351473 /nfs/dbraw/zinc/35/14/73/1371351473.db2.gz PLJLGTMTSKIDRR-UHFFFAOYSA-N 2 1 342.487 3.061 20 0 EGADMP c1ccc(C[NH+]2CCC(C[NH+]3CCN(C4CCCC4)CC3)CC2)cc1 ZINC001207291845 1371353123 /nfs/dbraw/zinc/35/31/23/1371353123.db2.gz ZIQKWSJDXTXISF-UHFFFAOYSA-N 2 1 341.543 3.459 20 0 EGADMP COC(=O)C[C@@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207292115 1371353154 /nfs/dbraw/zinc/35/31/54/1371353154.db2.gz JZMHWHBCQMSFFN-FQEVSTJZSA-N 2 1 344.499 3.174 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001207314184 1371358073 /nfs/dbraw/zinc/35/80/73/1371358073.db2.gz UJLGRXBCSVCIGZ-QGZVFWFLSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001207479724 1371408796 /nfs/dbraw/zinc/40/87/96/1371408796.db2.gz LWSBYJGOKHVDQN-FQEVSTJZSA-N 2 1 344.499 3.316 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001207479724 1371408798 /nfs/dbraw/zinc/40/87/98/1371408798.db2.gz LWSBYJGOKHVDQN-FQEVSTJZSA-N 2 1 344.499 3.316 20 0 EGADMP COc1ccc(CC[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)cc1 ZINC001207480052 1371408889 /nfs/dbraw/zinc/40/88/89/1371408889.db2.gz YUWZUBGYZCKTEH-UHFFFAOYSA-N 2 1 325.456 3.180 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)CC1 ZINC001207482237 1371409581 /nfs/dbraw/zinc/40/95/81/1371409581.db2.gz LKUATJNWPYIPNP-CTNGQTDRSA-N 2 1 343.515 3.294 20 0 EGADMP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207488373 1371411572 /nfs/dbraw/zinc/41/15/72/1371411572.db2.gz JXZXYDPARCERGI-NVXWUHKLSA-N 2 1 339.524 3.096 20 0 EGADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2CCC2CC[NH+](C)CC2)cc1 ZINC001207488381 1371411692 /nfs/dbraw/zinc/41/16/92/1371411692.db2.gz JZVDDCPKAUHZSE-LJQANCHMSA-N 2 1 330.472 3.342 20 0 EGADMP Fc1ccc(CC[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001207513530 1371421189 /nfs/dbraw/zinc/42/11/89/1371421189.db2.gz YOXDWPYWWPYION-IAGOWNOFSA-N 2 1 330.472 3.494 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207551159 1371432249 /nfs/dbraw/zinc/43/22/49/1371432249.db2.gz WDKWAWBJZDOOSC-AHRSYUTCSA-N 2 1 349.563 3.124 20 0 EGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](CCCc1ccc(Cl)cc1)CC2 ZINC001207597970 1371446716 /nfs/dbraw/zinc/44/67/16/1371446716.db2.gz AAOQLJOZHCZLEV-UHFFFAOYSA-N 2 1 335.879 3.403 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120010702 1371454117 /nfs/dbraw/zinc/45/41/17/1371454117.db2.gz VBYOHSQNUGDPRP-SFHVURJKSA-N 2 1 337.552 3.173 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCCC(C)(C)C)CCCCC2)C1 ZINC001120129838 1371492200 /nfs/dbraw/zinc/49/22/00/1371492200.db2.gz OSELZCXWCIXIGZ-QGZVFWFLSA-N 2 1 337.552 3.173 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](CC3(C)COC3)C[C@@H]21 ZINC001207796622 1371506914 /nfs/dbraw/zinc/50/69/14/1371506914.db2.gz YUNKHLDMLBMVQZ-BPQIPLTHSA-N 2 1 334.529 3.317 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](CC3(C)COC3)C[C@@H]21 ZINC001207796622 1371506918 /nfs/dbraw/zinc/50/69/18/1371506918.db2.gz YUNKHLDMLBMVQZ-BPQIPLTHSA-N 2 1 334.529 3.317 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](CC3(C)COC3)C[C@@H]21 ZINC001207796622 1371506923 /nfs/dbraw/zinc/50/69/23/1371506923.db2.gz YUNKHLDMLBMVQZ-BPQIPLTHSA-N 2 1 334.529 3.317 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001207799749 1371508068 /nfs/dbraw/zinc/50/80/68/1371508068.db2.gz IWSJRCYXIPWWOJ-FBYXPACISA-N 2 1 349.563 3.290 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001207799749 1371508071 /nfs/dbraw/zinc/50/80/71/1371508071.db2.gz IWSJRCYXIPWWOJ-FBYXPACISA-N 2 1 349.563 3.290 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001207799749 1371508076 /nfs/dbraw/zinc/50/80/76/1371508076.db2.gz IWSJRCYXIPWWOJ-FBYXPACISA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120422007 1371568915 /nfs/dbraw/zinc/56/89/15/1371568915.db2.gz HSWRJEUTCFMWTJ-SBUVDCAVSA-N 2 1 349.563 3.388 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC2CCCC2)C1 ZINC001120422310 1371569703 /nfs/dbraw/zinc/56/97/03/1371569703.db2.gz LHWFSCZYUUSBMZ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431720 1371575531 /nfs/dbraw/zinc/57/55/31/1371575531.db2.gz WAPRNQUCJTWHKJ-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001120431720 1371575534 /nfs/dbraw/zinc/57/55/34/1371575534.db2.gz WAPRNQUCJTWHKJ-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001120431720 1371575535 /nfs/dbraw/zinc/57/55/35/1371575535.db2.gz WAPRNQUCJTWHKJ-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120449730 1371581726 /nfs/dbraw/zinc/58/17/26/1371581726.db2.gz PKHLJRKBHIHARL-WOJBJXKFSA-N 2 1 349.563 3.388 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CCCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001208108051 1371597105 /nfs/dbraw/zinc/59/71/05/1371597105.db2.gz OMRODHBBUFNOJB-INIZCTEOSA-N 2 1 339.524 3.098 20 0 EGADMP CCOC(=O)CC[N@@H+](Cc1ccccc1)CC1(C)CC[NH+](C)CC1 ZINC001208110887 1371597809 /nfs/dbraw/zinc/59/78/09/1371597809.db2.gz WZZCDIOODSBTNJ-UHFFFAOYSA-N 2 1 332.488 3.174 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001120583098 1371624545 /nfs/dbraw/zinc/62/45/45/1371624545.db2.gz NJADFQXBUWQGBQ-CYBMUJFWSA-N 2 1 339.430 3.003 20 0 EGADMP C[NH+](C)CC1(C[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)CCCC1 ZINC001208187993 1371626973 /nfs/dbraw/zinc/62/69/73/1371626973.db2.gz DVVPPUGMPWMDNV-KDURUIRLSA-N 2 1 327.516 3.177 20 0 EGADMP CCCc1noc(C2CC[NH+](CC3(C[NH+](C)C)CCCC3)CC2)n1 ZINC001208186644 1371627088 /nfs/dbraw/zinc/62/70/88/1371627088.db2.gz XKPAGUBIFPABME-UHFFFAOYSA-N 2 1 334.508 3.324 20 0 EGADMP C[NH+](C)CC1(C[NH+]2CCC(O)(c3ccccc3F)CC2)CCCC1 ZINC001208192294 1371630200 /nfs/dbraw/zinc/63/02/00/1371630200.db2.gz SRVFTKWASCBRJS-UHFFFAOYSA-N 2 1 334.479 3.231 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331875 1371721445 /nfs/dbraw/zinc/72/14/45/1371721445.db2.gz XUOGBEBGNGIURI-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001208460215 1371775483 /nfs/dbraw/zinc/77/54/83/1371775483.db2.gz QFLUYBWYKQMBRR-SJORKVTESA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208474736 1371781230 /nfs/dbraw/zinc/78/12/30/1371781230.db2.gz OXNITVMSEHHNHP-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208475360 1371781888 /nfs/dbraw/zinc/78/18/88/1371781888.db2.gz TVHNREVCOVSPHG-KJYWSYJISA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208475856 1371782193 /nfs/dbraw/zinc/78/21/93/1371782193.db2.gz ZWEPPPYOYKFVTE-WYNBNGFRSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@H]1C)[NH+](CC)CC ZINC001208571286 1371822619 /nfs/dbraw/zinc/82/26/19/1371822619.db2.gz KNGGCEKATLXNSI-MISYRCLQSA-N 2 1 345.531 3.052 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H]3C[C@H](c4nc(C)cs4)O[C@@H]3C2)CC1 ZINC001208596186 1371834719 /nfs/dbraw/zinc/83/47/19/1371834719.db2.gz FFJRFDJPSBHZMG-RCCFBDPRSA-N 2 1 349.544 3.335 20 0 EGADMP CCOC(=O)c1cc2c(s1)CC[N@@H+](CC1CC[NH+](CC)CC1)C2 ZINC001208597970 1371834854 /nfs/dbraw/zinc/83/48/54/1371834854.db2.gz OKHUMUZSRZHTOB-UHFFFAOYSA-N 2 1 336.501 3.015 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208602342 1371836068 /nfs/dbraw/zinc/83/60/68/1371836068.db2.gz CJUWNWYEHCQHDV-FCHUYYIVSA-N 3 1 341.543 3.172 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208602342 1371836072 /nfs/dbraw/zinc/83/60/72/1371836072.db2.gz CJUWNWYEHCQHDV-FCHUYYIVSA-N 3 1 341.543 3.172 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208602342 1371836074 /nfs/dbraw/zinc/83/60/74/1371836074.db2.gz CJUWNWYEHCQHDV-FCHUYYIVSA-N 2 1 341.543 3.172 20 0 EGADMP CC[NH+]1CCC(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208602342 1371836079 /nfs/dbraw/zinc/83/60/79/1371836079.db2.gz CJUWNWYEHCQHDV-FCHUYYIVSA-N 2 1 341.543 3.172 20 0 EGADMP CC[NH+]1CCC(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208602342 1371836083 /nfs/dbraw/zinc/83/60/83/1371836083.db2.gz CJUWNWYEHCQHDV-FCHUYYIVSA-N 2 1 341.543 3.172 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001208603594 1371837343 /nfs/dbraw/zinc/83/73/43/1371837343.db2.gz FHKICXQEGHHDEB-HNNXBMFYSA-N 2 1 341.421 3.169 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001208603594 1371837345 /nfs/dbraw/zinc/83/73/45/1371837345.db2.gz FHKICXQEGHHDEB-HNNXBMFYSA-N 2 1 341.421 3.169 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)C1 ZINC001208606757 1371838400 /nfs/dbraw/zinc/83/84/00/1371838400.db2.gz HFDCNNIIBDCUSO-CQSZACIVSA-N 2 1 331.435 3.488 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(C[C@H](c4ccccc4)CO3)CC2)C1 ZINC001208611293 1371839623 /nfs/dbraw/zinc/83/96/23/1371839623.db2.gz BNAXKXDIZFSYDF-ICSRJNTNSA-N 2 1 328.500 3.367 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(C[C@H](c4ccccc4)CO3)CC2)C1 ZINC001208611293 1371839626 /nfs/dbraw/zinc/83/96/26/1371839626.db2.gz BNAXKXDIZFSYDF-ICSRJNTNSA-N 2 1 328.500 3.367 20 0 EGADMP C[N@@H+](Cc1ccccc1F)C1CCN(C[C@H]2CCC[NH+](C)C2)CC1 ZINC001208615783 1371841379 /nfs/dbraw/zinc/84/13/79/1371841379.db2.gz HVBJIWOWNDLEAV-KRWDZBQOSA-N 2 1 333.495 3.064 20 0 EGADMP C[NH+](Cc1ccccc1F)C1CCN(C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208615783 1371841381 /nfs/dbraw/zinc/84/13/81/1371841381.db2.gz HVBJIWOWNDLEAV-KRWDZBQOSA-N 2 1 333.495 3.064 20 0 EGADMP C[NH+](Cc1ccccc1F)C1CCN(C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208615783 1371841385 /nfs/dbraw/zinc/84/13/85/1371841385.db2.gz HVBJIWOWNDLEAV-KRWDZBQOSA-N 2 1 333.495 3.064 20 0 EGADMP CN(Cc1ccccc1F)C1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208615783 1371841386 /nfs/dbraw/zinc/84/13/86/1371841386.db2.gz HVBJIWOWNDLEAV-KRWDZBQOSA-N 2 1 333.495 3.064 20 0 EGADMP CN(Cc1ccccc1F)C1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208615783 1371841391 /nfs/dbraw/zinc/84/13/91/1371841391.db2.gz HVBJIWOWNDLEAV-KRWDZBQOSA-N 2 1 333.495 3.064 20 0 EGADMP CCC[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208618804 1371845480 /nfs/dbraw/zinc/84/54/80/1371845480.db2.gz SBRZCMFTDLAXHZ-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP CCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208618804 1371845485 /nfs/dbraw/zinc/84/54/85/1371845485.db2.gz SBRZCMFTDLAXHZ-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP CCC[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208618804 1371845490 /nfs/dbraw/zinc/84/54/90/1371845490.db2.gz SBRZCMFTDLAXHZ-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP CCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208618804 1371845494 /nfs/dbraw/zinc/84/54/94/1371845494.db2.gz SBRZCMFTDLAXHZ-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CC3(C)CCCCC3)CC2)C1 ZINC001208902055 1371938559 /nfs/dbraw/zinc/93/85/59/1371938559.db2.gz GHVGILMIYQVUMM-QGZVFWFLSA-N 2 1 336.520 3.306 20 0 EGADMP CC1(C)C[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@](C)(CO)C1 ZINC001208930992 1371951122 /nfs/dbraw/zinc/95/11/22/1371951122.db2.gz GONOFWQLVGBJGR-TZIWHRDSSA-N 2 1 330.516 3.382 20 0 EGADMP CC1(C)C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@](C)(CO)C1 ZINC001208930992 1371951124 /nfs/dbraw/zinc/95/11/24/1371951124.db2.gz GONOFWQLVGBJGR-TZIWHRDSSA-N 2 1 330.516 3.382 20 0 EGADMP CC1(C)C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@](C)(CO)C1 ZINC001208930992 1371951127 /nfs/dbraw/zinc/95/11/27/1371951127.db2.gz GONOFWQLVGBJGR-TZIWHRDSSA-N 2 1 330.516 3.382 20 0 EGADMP CC1(C)C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@](C)(CO)C1 ZINC001208930992 1371951129 /nfs/dbraw/zinc/95/11/29/1371951129.db2.gz GONOFWQLVGBJGR-TZIWHRDSSA-N 2 1 330.516 3.382 20 0 EGADMP OCC[N@@H+](Cc1cccs1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935461 1371951792 /nfs/dbraw/zinc/95/17/92/1371951792.db2.gz JWMGSXUOEJGIHE-IBGZPJMESA-N 2 1 344.524 3.455 20 0 EGADMP OCC[N@H+](Cc1cccs1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935461 1371951796 /nfs/dbraw/zinc/95/17/96/1371951796.db2.gz JWMGSXUOEJGIHE-IBGZPJMESA-N 2 1 344.524 3.455 20 0 EGADMP OCC[NH+](Cc1cccs1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208935461 1371951797 /nfs/dbraw/zinc/95/17/97/1371951797.db2.gz JWMGSXUOEJGIHE-IBGZPJMESA-N 2 1 344.524 3.455 20 0 EGADMP OCC[NH+](Cc1cccs1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208935461 1371951802 /nfs/dbraw/zinc/95/18/02/1371951802.db2.gz JWMGSXUOEJGIHE-IBGZPJMESA-N 2 1 344.524 3.455 20 0 EGADMP FC1CC[NH+](C2CN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208938586 1371954854 /nfs/dbraw/zinc/95/48/54/1371954854.db2.gz CBBRTZICGJBLPW-LJQANCHMSA-N 2 1 345.506 3.017 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@H](Oc4cccnc4)C3)C2)cc1 ZINC001208948173 1371958317 /nfs/dbraw/zinc/95/83/17/1371958317.db2.gz FLNGYEKXPCIKAE-FPOVZHCZSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@H](Oc4cccnc4)C3)C2)cc1 ZINC001208948173 1371958320 /nfs/dbraw/zinc/95/83/20/1371958320.db2.gz FLNGYEKXPCIKAE-FPOVZHCZSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@H](Oc4cccnc4)C3)C2)cc1 ZINC001208948173 1371958326 /nfs/dbraw/zinc/95/83/26/1371958326.db2.gz FLNGYEKXPCIKAE-FPOVZHCZSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CC[C@@H](Oc4cccnc4)C3)C2)cc1 ZINC001208948178 1371958477 /nfs/dbraw/zinc/95/84/77/1371958477.db2.gz FLNGYEKXPCIKAE-TZIWHRDSSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CC[C@@H](Oc4cccnc4)C3)C2)cc1 ZINC001208948178 1371958479 /nfs/dbraw/zinc/95/84/79/1371958479.db2.gz FLNGYEKXPCIKAE-TZIWHRDSSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CC[C@@H](Oc4cccnc4)C3)C2)cc1 ZINC001208948178 1371958486 /nfs/dbraw/zinc/95/84/86/1371958486.db2.gz FLNGYEKXPCIKAE-TZIWHRDSSA-N 2 1 337.467 3.057 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1CCN(C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208946334 1371958518 /nfs/dbraw/zinc/95/85/18/1371958518.db2.gz UVTPMKFGXHIVPV-RTWAWAEBSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[NH+](C)[C@H]1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208946334 1371958520 /nfs/dbraw/zinc/95/85/20/1371958520.db2.gz UVTPMKFGXHIVPV-RTWAWAEBSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[NH+](C)[C@H]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208946334 1371958524 /nfs/dbraw/zinc/95/85/24/1371958524.db2.gz UVTPMKFGXHIVPV-RTWAWAEBSA-N 2 1 329.532 3.313 20 0 EGADMP Cc1ccnn1C1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208957911 1371962360 /nfs/dbraw/zinc/96/23/60/1371962360.db2.gz MRVCKQUMYHDLAD-HXUWFJFHSA-N 2 1 338.499 3.351 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209006722 1371972885 /nfs/dbraw/zinc/97/28/85/1371972885.db2.gz HLOZOKDPRVNBJN-RCCFBDPRSA-N 2 1 348.535 3.125 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209006722 1371972889 /nfs/dbraw/zinc/97/28/89/1371972889.db2.gz HLOZOKDPRVNBJN-RCCFBDPRSA-N 2 1 348.535 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209134703 1372009887 /nfs/dbraw/zinc/00/98/87/1372009887.db2.gz QZQDRUIHBCHUPB-UWCDRFHNSA-N 2 1 335.536 3.044 20 0 EGADMP C[NH+](C)C1CC[NH+](CC[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001209164793 1372020948 /nfs/dbraw/zinc/02/09/48/1372020948.db2.gz IRGDPVVYFBLTNO-QGZVFWFLSA-N 2 1 339.524 3.192 20 0 EGADMP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001121628147 1372030154 /nfs/dbraw/zinc/03/01/54/1372030154.db2.gz CSRZHFJHPVBYJP-YQTQZHKRSA-N 2 1 349.563 3.170 20 0 EGADMP CC(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209223703 1372042039 /nfs/dbraw/zinc/04/20/39/1372042039.db2.gz UEGLRIKXAKLCMZ-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209223706 1372042263 /nfs/dbraw/zinc/04/22/63/1372042263.db2.gz UEGLRIKXAKLCMZ-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](CCOc2ccccc2)CC1 ZINC001209300115 1372064028 /nfs/dbraw/zinc/06/40/28/1372064028.db2.gz OPUQMZJEDLXFEH-UHFFFAOYSA-N 2 1 347.547 3.195 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857892 1388179005 /nfs/dbraw/zinc/17/90/05/1388179005.db2.gz UQFZGXSPECLOKO-AHYCVCGYSA-N 2 1 347.547 3.138 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001187857892 1388179007 /nfs/dbraw/zinc/17/90/07/1388179007.db2.gz UQFZGXSPECLOKO-AHYCVCGYSA-N 2 1 347.547 3.138 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001187857892 1388179010 /nfs/dbraw/zinc/17/90/10/1388179010.db2.gz UQFZGXSPECLOKO-AHYCVCGYSA-N 2 1 347.547 3.138 20 0 EGADMP C[C@@H]1C[C@H]1C[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001209417829 1372100212 /nfs/dbraw/zinc/10/02/12/1372100212.db2.gz XGBSVAAUGOUYAK-CVEARBPZSA-N 2 1 325.456 3.321 20 0 EGADMP C[C@@H]1C[C@H]1C[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001209417829 1372100215 /nfs/dbraw/zinc/10/02/15/1372100215.db2.gz XGBSVAAUGOUYAK-CVEARBPZSA-N 2 1 325.456 3.321 20 0 EGADMP C[C@@H]1C[C@H]1C[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001209417829 1372100216 /nfs/dbraw/zinc/10/02/16/1372100216.db2.gz XGBSVAAUGOUYAK-CVEARBPZSA-N 2 1 325.456 3.321 20 0 EGADMP C[C@@H]1C[C@H]1C[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001209417829 1372100218 /nfs/dbraw/zinc/10/02/18/1372100218.db2.gz XGBSVAAUGOUYAK-CVEARBPZSA-N 2 1 325.456 3.321 20 0 EGADMP COC(=O)C[C@@H](C)[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC001209452136 1372109656 /nfs/dbraw/zinc/10/96/56/1372109656.db2.gz FEWRBWWUADNWFP-GOSISDBHSA-N 2 1 332.488 3.316 20 0 EGADMP c1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001209554113 1372135581 /nfs/dbraw/zinc/13/55/81/1372135581.db2.gz WOFNUIKECSHMGX-MSOLQXFVSA-N 2 1 327.497 3.487 20 0 EGADMP c1ncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001209554113 1372135583 /nfs/dbraw/zinc/13/55/83/1372135583.db2.gz WOFNUIKECSHMGX-MSOLQXFVSA-N 2 1 327.497 3.487 20 0 EGADMP c1ncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001209554113 1372135586 /nfs/dbraw/zinc/13/55/86/1372135586.db2.gz WOFNUIKECSHMGX-MSOLQXFVSA-N 2 1 327.497 3.487 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209954239 1372240254 /nfs/dbraw/zinc/24/02/54/1372240254.db2.gz WBFZUOLJOBMXIN-CQQBRXBZSA-N 2 1 335.536 3.186 20 0 EGADMP [NH3+]CCN1CC[NH+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)CC1 ZINC001209976210 1372246348 /nfs/dbraw/zinc/24/63/48/1372246348.db2.gz IIYWJGOVGZIRRS-UHFFFAOYSA-N 2 1 345.874 3.209 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001210235885 1372301352 /nfs/dbraw/zinc/30/13/52/1372301352.db2.gz GOMWKYZFXWXUDR-RTBURBONSA-N 2 1 337.552 3.291 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(CN2CC[NH2+][C@H](Cc3ccccc3)C2)cc1 ZINC001210312025 1372322324 /nfs/dbraw/zinc/32/23/24/1372322324.db2.gz SDZBLUYWNILODL-OAQYLSRUSA-N 2 1 346.478 3.197 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cccc3cc(Br)cnc32)CC[NH2+]1 ZINC001210519720 1372370985 /nfs/dbraw/zinc/37/09/85/1372370985.db2.gz RRJIOOVFRGWFOE-LBPRGKRZSA-N 2 1 334.261 3.181 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cccc3cc(Br)cnc32)CC[NH2+]1 ZINC001210519720 1372370988 /nfs/dbraw/zinc/37/09/88/1372370988.db2.gz RRJIOOVFRGWFOE-LBPRGKRZSA-N 2 1 334.261 3.181 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(Nc2cnn(C3CC[NH+](C)CC3)c2)cc1 ZINC001210755831 1372420332 /nfs/dbraw/zinc/42/03/32/1372420332.db2.gz WDMLTNJRVYQOEM-UHFFFAOYSA-N 2 1 336.443 3.388 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001210789056 1372426787 /nfs/dbraw/zinc/42/67/87/1372426787.db2.gz MHNAGBLSFCYGQD-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001210811740 1372431306 /nfs/dbraw/zinc/43/13/06/1372431306.db2.gz QIMMWBLQQDCOMB-RBUKOAKNSA-N 2 1 345.531 3.287 20 0 EGADMP C[C@@H]1CCc2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)sc2C1 ZINC001326463631 1388200018 /nfs/dbraw/zinc/20/00/18/1388200018.db2.gz FRKYRSZBWZZKSE-WTTBNOFXSA-N 2 1 349.544 3.129 20 0 EGADMP C[NH2+]Cc1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001211130191 1372488447 /nfs/dbraw/zinc/48/84/47/1372488447.db2.gz YZIPXEFUYXIJFZ-UHFFFAOYSA-N 2 1 328.435 3.041 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211300046 1372524564 /nfs/dbraw/zinc/52/45/64/1372524564.db2.gz IPQCDONGAUOFMY-WSTZPKSXSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(F)c(F)c2F)no1 ZINC001212142306 1372663253 /nfs/dbraw/zinc/66/32/53/1372663253.db2.gz GZXKBVWLOMQCQP-LBPRGKRZSA-N 2 1 342.365 3.322 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccnc3ccccc32)no1 ZINC001212145028 1372664234 /nfs/dbraw/zinc/66/42/34/1372664234.db2.gz JTNRXGYFBSHIQF-INIZCTEOSA-N 2 1 339.443 3.453 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001214780425 1373118122 /nfs/dbraw/zinc/11/81/22/1373118122.db2.gz ZQMTUGQJFGSVIB-MOZIWPGPSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C)c1ccccc1 ZINC001215568977 1373213649 /nfs/dbraw/zinc/21/36/49/1373213649.db2.gz UCYXYQPVJMPYSZ-ZHALLVOQSA-N 2 1 345.531 3.162 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001216844448 1373350198 /nfs/dbraw/zinc/35/01/98/1373350198.db2.gz BYFICKGLSRARTA-WUYYXPQKSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001129839482 1373428002 /nfs/dbraw/zinc/42/80/02/1373428002.db2.gz ALNBLAGQPFNEOG-FXAWDEMLSA-N 2 1 345.531 3.451 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C)c1cccc2ccccc21 ZINC001130305802 1373488287 /nfs/dbraw/zinc/48/82/87/1373488287.db2.gz LRCUOPUPZDAIIE-OXJNMPFZSA-N 2 1 339.483 3.091 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001130304107 1373488574 /nfs/dbraw/zinc/48/85/74/1373488574.db2.gz UIPINCHCVCNDEP-DAWZGUTISA-N 2 1 337.552 3.029 20 0 EGADMP Cc1ccc([C@@H]2C[C@H]2c2nnc([C@H]([NH3+])CC3CC[NH2+]CC3)o2)cc1 ZINC001217723548 1373495848 /nfs/dbraw/zinc/49/58/48/1373495848.db2.gz CJANWLOANOTPHG-GVDBMIGSSA-N 2 1 326.444 3.039 20 0 EGADMP C[NH+](C)Cc1cc(O[C@H]2CC[C@]23CC[NH2+]C3)ccc1Br ZINC001218115187 1373563759 /nfs/dbraw/zinc/56/37/59/1373563759.db2.gz FPCDCCBNVUFIFP-JKSUJKDBSA-N 2 1 339.277 3.032 20 0 EGADMP C[N@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@@H]2C=CC[NH2+]C2)cc13 ZINC001218333251 1373599081 /nfs/dbraw/zinc/59/90/81/1373599081.db2.gz DAQLQZLDHLLHMI-UGESXGAOSA-N 2 1 338.495 3.282 20 0 EGADMP Clc1ccccc1C[N@H+]1CC[C@H](Oc2ccc3c(n2)CC[NH2+]C3)C1 ZINC001218410587 1373609625 /nfs/dbraw/zinc/60/96/25/1373609625.db2.gz FWYCAUIUGIUYSS-INIZCTEOSA-N 2 1 343.858 3.034 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)C1CC2(C[NH2+]C2)C1)C1CCCCC1 ZINC001219023464 1373680504 /nfs/dbraw/zinc/68/05/04/1373680504.db2.gz DSSGIDPWUMCYMG-UHFFFAOYSA-N 2 1 341.499 3.389 20 0 EGADMP c1ccc2c(c1)oc1c2cccc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222091663 1373816470 /nfs/dbraw/zinc/81/64/70/1373816470.db2.gz ZJJKMQMRUJCVNJ-UHFFFAOYSA-N 2 1 335.451 3.113 20 0 EGADMP COC(=O)Cc1cccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222172765 1373819085 /nfs/dbraw/zinc/81/90/85/1373819085.db2.gz NWDRZQWRVIFHRB-NRFANRHFSA-N 2 1 344.499 3.148 20 0 EGADMP FC(F)Oc1cc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)ccn1 ZINC001222173776 1373819292 /nfs/dbraw/zinc/81/92/92/1373819292.db2.gz XOYDDINSJSWRTK-SFHVURJKSA-N 2 1 339.430 3.429 20 0 EGADMP FC(F)Oc1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)ccn1 ZINC001222173776 1373819303 /nfs/dbraw/zinc/81/93/03/1373819303.db2.gz XOYDDINSJSWRTK-SFHVURJKSA-N 2 1 339.430 3.429 20 0 EGADMP CCCCOc1ccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)cc1 ZINC001222400693 1373837597 /nfs/dbraw/zinc/83/75/97/1373837597.db2.gz DJXCYZNEKNAOBW-UHFFFAOYSA-N 2 1 332.488 3.068 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(C)ccc1C ZINC001326760145 1388301743 /nfs/dbraw/zinc/30/17/43/1388301743.db2.gz GUXPSLNAUXPYKN-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3OCCC[NH+]2CCCC2)cc1 ZINC001224744825 1375073391 /nfs/dbraw/zinc/07/33/91/1375073391.db2.gz QJAZTVVTHIUZLT-AERCQKQUSA-N 2 1 328.500 3.400 20 0 EGADMP C[N@H+]1CCC[C@@H](OC[C@@]2(C)C[NH+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152636 1375096672 /nfs/dbraw/zinc/09/66/72/1375096672.db2.gz XMLWLQFEGFUIRH-TZIWHRDSSA-N 2 1 346.515 3.167 20 0 EGADMP C[NH+]1CCC[C@@H](OC[C@@]2(C)C[N@H+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152636 1375096674 /nfs/dbraw/zinc/09/66/74/1375096674.db2.gz XMLWLQFEGFUIRH-TZIWHRDSSA-N 2 1 346.515 3.167 20 0 EGADMP C[NH+]1CCC[C@@H](OC[C@@]2(C)C[N@@H+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152636 1375096680 /nfs/dbraw/zinc/09/66/80/1375096680.db2.gz XMLWLQFEGFUIRH-TZIWHRDSSA-N 2 1 346.515 3.167 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001225245710 1375099110 /nfs/dbraw/zinc/09/91/10/1375099110.db2.gz WHXXTUUHRBXFBH-SFHVURJKSA-N 2 1 339.568 3.229 20 0 EGADMP CCC/C=C\CC[NH+]1CCC(CNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001225244081 1375099317 /nfs/dbraw/zinc/09/93/17/1375099317.db2.gz GCTIUCWSYVANEX-FPLPWBNLSA-N 2 1 337.552 3.293 20 0 EGADMP CCCCCC[NH+]1CCC(CNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001225244065 1375099396 /nfs/dbraw/zinc/09/93/96/1375099396.db2.gz FJMXCJWFBGQGJU-UHFFFAOYSA-N 2 1 325.541 3.127 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001132041382 1375113022 /nfs/dbraw/zinc/11/30/22/1375113022.db2.gz CXNRIKTXCUSYHU-ZWKOTPCHSA-N 2 1 337.552 3.410 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]cn2)C[N@H+]1CCCC(C)(C)C ZINC001132090333 1375139937 /nfs/dbraw/zinc/13/99/37/1375139937.db2.gz GNCVXDJGRAOBCF-DOTOQJQBSA-N 2 1 334.508 3.138 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCc2cnc[nH]2)C[N@@H+]1CCCC(C)(C)C ZINC001132090333 1375139942 /nfs/dbraw/zinc/13/99/42/1375139942.db2.gz GNCVXDJGRAOBCF-DOTOQJQBSA-N 2 1 334.508 3.138 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCc2cnc[nH]2)C[N@H+]1CCCC(C)(C)C ZINC001132090333 1375139945 /nfs/dbraw/zinc/13/99/45/1375139945.db2.gz GNCVXDJGRAOBCF-DOTOQJQBSA-N 2 1 334.508 3.138 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001132140417 1375167705 /nfs/dbraw/zinc/16/77/05/1375167705.db2.gz IHZWQPOOVKJPSW-NVXWUHKLSA-N 2 1 342.487 3.416 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](CCC(C)(C)C)C1 ZINC001132154164 1375173895 /nfs/dbraw/zinc/17/38/95/1375173895.db2.gz XMXXRXQKLNHESL-CVEARBPZSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001132154164 1375173897 /nfs/dbraw/zinc/17/38/97/1375173897.db2.gz XMXXRXQKLNHESL-CVEARBPZSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC(C)(C)C)C1 ZINC001132154164 1375173900 /nfs/dbraw/zinc/17/39/00/1375173900.db2.gz XMXXRXQKLNHESL-CVEARBPZSA-N 2 1 325.541 3.122 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132211054 1375211758 /nfs/dbraw/zinc/21/17/58/1375211758.db2.gz LMKKBKPCRCPKGX-ZWKOTPCHSA-N 2 1 335.536 3.186 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001132265577 1375254296 /nfs/dbraw/zinc/25/42/96/1375254296.db2.gz PAZBNXXRWRRUTN-LJJUJYJISA-N 2 1 335.536 3.044 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)cc1C ZINC001132269193 1375257270 /nfs/dbraw/zinc/25/72/70/1375257270.db2.gz GPZKDCCQCLWEFY-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCCc1ccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)cc1 ZINC001132273147 1375258719 /nfs/dbraw/zinc/25/87/19/1375258719.db2.gz DLKSZKJRGNWTPR-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132365657 1375330655 /nfs/dbraw/zinc/33/06/55/1375330655.db2.gz NMGGPVLHXNWPQZ-VQIMIIECSA-N 2 1 348.535 3.377 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132365657 1375330662 /nfs/dbraw/zinc/33/06/62/1375330662.db2.gz NMGGPVLHXNWPQZ-VQIMIIECSA-N 2 1 348.535 3.377 20 0 EGADMP CCc1ccccc1C[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132410832 1375359405 /nfs/dbraw/zinc/35/94/05/1375359405.db2.gz OWVIZDGYFZOTIH-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132410832 1375359410 /nfs/dbraw/zinc/35/94/10/1375359410.db2.gz OWVIZDGYFZOTIH-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132410832 1375359414 /nfs/dbraw/zinc/35/94/14/1375359414.db2.gz OWVIZDGYFZOTIH-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001132416898 1375365309 /nfs/dbraw/zinc/36/53/09/1375365309.db2.gz ODLQPARSUYQBSB-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CC1CC(C)(C)C1 ZINC001132434561 1375379882 /nfs/dbraw/zinc/37/98/82/1375379882.db2.gz YJUXQEGTWKDLKK-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[N@H+]1CC1CCC1 ZINC001132493173 1375423598 /nfs/dbraw/zinc/42/35/98/1375423598.db2.gz JXEVWXCCGBQKQP-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CC1=CCCCC1 ZINC001132517409 1375435659 /nfs/dbraw/zinc/43/56/59/1375435659.db2.gz CATLTMLDJKBTAV-UYAOXDASSA-N 2 1 347.547 3.332 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CC1CCCC1 ZINC001132517499 1375435848 /nfs/dbraw/zinc/43/58/48/1375435848.db2.gz DCQXYTHFFOJXOO-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1ccc(C)c(C[NH+]2C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]2C)c1 ZINC001132517417 1375435999 /nfs/dbraw/zinc/43/59/99/1375435999.db2.gz CBYNOUQYUZMERV-UYAOXDASSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)c1 ZINC001132517417 1375436005 /nfs/dbraw/zinc/43/60/05/1375436005.db2.gz CBYNOUQYUZMERV-UYAOXDASSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C)c(C[N@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)c1 ZINC001132517417 1375436014 /nfs/dbraw/zinc/43/60/14/1375436014.db2.gz CBYNOUQYUZMERV-UYAOXDASSA-N 2 1 345.531 3.113 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132517770 1375436053 /nfs/dbraw/zinc/43/60/53/1375436053.db2.gz GIVFKOURAQEHMK-HKUYNNGSSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001132517770 1375436058 /nfs/dbraw/zinc/43/60/58/1375436058.db2.gz GIVFKOURAQEHMK-HKUYNNGSSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001132517770 1375436061 /nfs/dbraw/zinc/43/60/61/1375436061.db2.gz GIVFKOURAQEHMK-HKUYNNGSSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132518870 1375437690 /nfs/dbraw/zinc/43/76/90/1375437690.db2.gz PMPMDNOQRWHHMY-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001132524442 1375440583 /nfs/dbraw/zinc/44/05/83/1375440583.db2.gz GZDNCHVNDVJCRG-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CCC(C)(C)C ZINC001132524364 1375440657 /nfs/dbraw/zinc/44/06/57/1375440657.db2.gz GJKBHIAHTMYHLX-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132525900 1375441740 /nfs/dbraw/zinc/44/17/40/1375441740.db2.gz WPYRVWMJQGAESY-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CCC[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001227791321 1375474824 /nfs/dbraw/zinc/47/48/24/1375474824.db2.gz BSYXGWJUMOVEPH-IBGZPJMESA-N 2 1 337.552 3.266 20 0 EGADMP CCC/C=C/CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790526 1375565748 /nfs/dbraw/zinc/56/57/48/1375565748.db2.gz HLCLXIHGXPFTEV-PXPVJAHISA-N 2 1 335.536 3.236 20 0 EGADMP CC1CCC(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001132791139 1375567250 /nfs/dbraw/zinc/56/72/50/1375567250.db2.gz SLBHHFVIYRRFFA-QLOJAFMTSA-N 2 1 349.563 3.316 20 0 EGADMP O=C(NCC[NH2+]CCC1=CCCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132794795 1375568476 /nfs/dbraw/zinc/56/84/76/1375568476.db2.gz GNLLTNIBXMBFOE-FQEVSTJZSA-N 2 1 347.547 3.380 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1ccccc1 ZINC001132794673 1375568491 /nfs/dbraw/zinc/56/84/91/1375568491.db2.gz FFFAUUDIYFZASN-PXNSSMCTSA-N 2 1 343.515 3.251 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1)CC(C)(C)C ZINC001228624037 1375619784 /nfs/dbraw/zinc/61/97/84/1375619784.db2.gz RAQCGZFYEUCHMH-QZTJIDSGSA-N 2 1 337.552 3.172 20 0 EGADMP CC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001228623455 1375620149 /nfs/dbraw/zinc/62/01/49/1375620149.db2.gz BHJWHUMZVTXQNU-GVDBMIGSSA-N 2 1 325.541 3.027 20 0 EGADMP CC[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001229126013 1375768949 /nfs/dbraw/zinc/76/89/49/1375768949.db2.gz DSCVYMGUPYFWNA-KBAYOESNSA-N 2 1 334.508 3.035 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(C)C)C1 ZINC001133185657 1375829672 /nfs/dbraw/zinc/82/96/72/1375829672.db2.gz GYSNPMGQKDIAEV-RBUKOAKNSA-N 2 1 339.568 3.229 20 0 EGADMP CCCCCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001229462315 1375840027 /nfs/dbraw/zinc/84/00/27/1375840027.db2.gz KYPHFKMZLBNIHK-LJQANCHMSA-N 2 1 337.552 3.410 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1F ZINC001229495621 1375846663 /nfs/dbraw/zinc/84/66/63/1375846663.db2.gz HNXMKXKUMDGXDB-KFKAGJAMSA-N 2 1 349.494 3.246 20 0 EGADMP CC[C@H](F)C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001230017475 1375931403 /nfs/dbraw/zinc/93/14/03/1375931403.db2.gz WVFQODXRYLNBGW-PKOBYXMFSA-N 2 1 349.494 3.008 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](CCC2CCCCCC2)CC1 ZINC001230112909 1375946385 /nfs/dbraw/zinc/94/63/85/1375946385.db2.gz GQWMPRGFNYVWEP-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001230274980 1375981225 /nfs/dbraw/zinc/98/12/25/1375981225.db2.gz XDQNHWXJCHLCDL-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230506692 1376044628 /nfs/dbraw/zinc/04/46/28/1376044628.db2.gz BTEADRPXYRSHBU-KUHUBIRLSA-N 2 1 336.439 3.435 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230506692 1376044646 /nfs/dbraw/zinc/04/46/46/1376044646.db2.gz BTEADRPXYRSHBU-KUHUBIRLSA-N 2 1 336.439 3.435 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230506692 1376044648 /nfs/dbraw/zinc/04/46/48/1376044648.db2.gz BTEADRPXYRSHBU-KUHUBIRLSA-N 2 1 336.439 3.435 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230516775 1376049013 /nfs/dbraw/zinc/04/90/13/1376049013.db2.gz UJGKJLNRNRHXLM-IFXJQAMLSA-N 2 1 336.439 3.435 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230516775 1376049023 /nfs/dbraw/zinc/04/90/23/1376049023.db2.gz UJGKJLNRNRHXLM-IFXJQAMLSA-N 2 1 336.439 3.435 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230516775 1376049031 /nfs/dbraw/zinc/04/90/31/1376049031.db2.gz UJGKJLNRNRHXLM-IFXJQAMLSA-N 2 1 336.439 3.435 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001133823697 1376219185 /nfs/dbraw/zinc/21/91/85/1376219185.db2.gz MJZWADLDNCVVJQ-KRWDZBQOSA-N 2 1 343.515 3.034 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001327187102 1388429351 /nfs/dbraw/zinc/42/93/51/1388429351.db2.gz AQEBHHUHUBNYNQ-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001327187102 1388429356 /nfs/dbraw/zinc/42/93/56/1388429356.db2.gz AQEBHHUHUBNYNQ-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001327187102 1388429359 /nfs/dbraw/zinc/42/93/59/1388429359.db2.gz AQEBHHUHUBNYNQ-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP C[NH+]1CCC(C2CC[NH+](Cc3cc(Br)c[nH]3)CC2)CC1 ZINC001231576853 1376268637 /nfs/dbraw/zinc/26/86/37/1376268637.db2.gz OHUVNMHEAXZJBU-UHFFFAOYSA-N 2 1 340.309 3.331 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OC4CCCCC4)nc3)C[C@@H]2C1 ZINC001231871862 1376333696 /nfs/dbraw/zinc/33/36/96/1376333696.db2.gz QJOOBJLVYNPLPK-MSOLQXFVSA-N 2 1 329.488 3.177 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OC4CCCCC4)nc3)C[C@@H]2C1 ZINC001231871862 1376333704 /nfs/dbraw/zinc/33/37/04/1376333704.db2.gz QJOOBJLVYNPLPK-MSOLQXFVSA-N 2 1 329.488 3.177 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(OC4CCCCC4)nc3)C[C@@H]2C1 ZINC001231871862 1376333715 /nfs/dbraw/zinc/33/37/15/1376333715.db2.gz QJOOBJLVYNPLPK-MSOLQXFVSA-N 2 1 329.488 3.177 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OC4CCCCC4)nc3)C[C@@H]2C1 ZINC001231871862 1376333723 /nfs/dbraw/zinc/33/37/23/1376333723.db2.gz QJOOBJLVYNPLPK-MSOLQXFVSA-N 2 1 329.488 3.177 20 0 EGADMP Cc1cc(F)ncc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001231983711 1376371656 /nfs/dbraw/zinc/37/16/56/1376371656.db2.gz BIFGEIRGIBTEKD-SFHVURJKSA-N 2 1 327.447 3.483 20 0 EGADMP CC[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232016207 1376385075 /nfs/dbraw/zinc/38/50/75/1376385075.db2.gz UUJJSNLASHKEQU-INIZCTEOSA-N 2 1 344.459 3.394 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232018891 1376386819 /nfs/dbraw/zinc/38/68/19/1376386819.db2.gz PRIUNBBQJIYARJ-OCCSQVGLSA-N 2 1 330.432 3.050 20 0 EGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(C(C)(C)O)nc1 ZINC001232828534 1376519964 /nfs/dbraw/zinc/51/99/64/1376519964.db2.gz ODIMLYYAOZAVAI-ROUUACIJSA-N 2 1 331.504 3.148 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(C(C)(C)O)nc1 ZINC001232828534 1376519969 /nfs/dbraw/zinc/51/99/69/1376519969.db2.gz ODIMLYYAOZAVAI-ROUUACIJSA-N 2 1 331.504 3.148 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(C)(C)O)nc1 ZINC001232828534 1376519974 /nfs/dbraw/zinc/51/99/74/1376519974.db2.gz ODIMLYYAOZAVAI-ROUUACIJSA-N 2 1 331.504 3.148 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc(C(C)(C)O)nc1 ZINC001232828534 1376519978 /nfs/dbraw/zinc/51/99/78/1376519978.db2.gz ODIMLYYAOZAVAI-ROUUACIJSA-N 2 1 331.504 3.148 20 0 EGADMP CCOc1ncc(Cl)cc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001233173376 1376579517 /nfs/dbraw/zinc/57/95/17/1376579517.db2.gz PQCHZYXAKDEWEW-UHFFFAOYSA-N 2 1 337.895 3.442 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH2+]Cc1ccccc1C(C)C ZINC001134570436 1376601379 /nfs/dbraw/zinc/60/13/79/1376601379.db2.gz POJGXDXEJDWKPB-UHFFFAOYSA-N 2 1 342.487 3.036 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001134570753 1376601655 /nfs/dbraw/zinc/60/16/55/1376601655.db2.gz XAEJHCGNDZXNQC-UHFFFAOYSA-N 2 1 342.487 3.036 20 0 EGADMP Cc1cccc(C)c1C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134607873 1376622230 /nfs/dbraw/zinc/62/22/30/1376622230.db2.gz MZAYFQITROKOGW-ROUUACIJSA-N 2 1 345.531 3.161 20 0 EGADMP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)c1ccc(F)cc1 ZINC001134766204 1376709306 /nfs/dbraw/zinc/70/93/06/1376709306.db2.gz DXFIYDBOYPGNOY-MOPGFXCFSA-N 2 1 349.494 3.246 20 0 EGADMP CC(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134790934 1376723719 /nfs/dbraw/zinc/72/37/19/1376723719.db2.gz LHEMUWYAOOECRZ-CVEARBPZSA-N 2 1 325.541 3.168 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001234216371 1376788206 /nfs/dbraw/zinc/78/82/06/1376788206.db2.gz WMTHWBCSYAOCMB-ZSQQTYLHSA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001234216371 1376788217 /nfs/dbraw/zinc/78/82/17/1376788217.db2.gz WMTHWBCSYAOCMB-ZSQQTYLHSA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001234216371 1376788232 /nfs/dbraw/zinc/78/82/32/1376788232.db2.gz WMTHWBCSYAOCMB-ZSQQTYLHSA-N 2 1 335.536 3.138 20 0 EGADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](CC[C@@H](C)SC)CC2 ZINC001235018290 1376826985 /nfs/dbraw/zinc/82/69/85/1376826985.db2.gz HKBQSJBOZHSDHP-OAHLLOKOSA-N 2 1 334.529 3.274 20 0 EGADMP c1ccc(N2CCCC2)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235429172 1376871094 /nfs/dbraw/zinc/87/10/94/1376871094.db2.gz PVCRXVWNOVUHFO-MOPGFXCFSA-N 2 1 327.516 3.498 20 0 EGADMP Clc1cccn2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)nc12 ZINC001235431294 1376871931 /nfs/dbraw/zinc/87/19/31/1376871931.db2.gz ZHEHUHVFMHAGID-HUUCEWRRSA-N 2 1 332.879 3.199 20 0 EGADMP c1ccc([C@H]2CCC[N@H+](Cc3ccccc3N3CC[NH2+]CC3)C2)cc1 ZINC001235665499 1376882470 /nfs/dbraw/zinc/88/24/70/1376882470.db2.gz OENPTYMWFNYGLF-FQEVSTJZSA-N 2 1 335.495 3.476 20 0 EGADMP Fc1ccc(C[C@@H]2CCC[N@@H+](Cc3ccc4n3CC[NH2+]C4)C2)cc1 ZINC001236007379 1376925469 /nfs/dbraw/zinc/92/54/69/1376925469.db2.gz AAAPSZRSADZRFM-KRWDZBQOSA-N 2 1 327.447 3.185 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236226846 1376943621 /nfs/dbraw/zinc/94/36/21/1376943621.db2.gz VFGHVUIILQDVHU-UHFFFAOYSA-N 2 1 332.366 3.168 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236226846 1376943641 /nfs/dbraw/zinc/94/36/41/1376943641.db2.gz VFGHVUIILQDVHU-UHFFFAOYSA-N 2 1 332.366 3.168 20 0 EGADMP Nc1ccc2c(c1)[nH]nc2C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236700571 1376962611 /nfs/dbraw/zinc/96/26/11/1376962611.db2.gz LBTIZTZYRXTNLR-SAABIXHNSA-N 2 1 349.482 3.417 20 0 EGADMP C[C@H]1CN(Cc2ccc3c(c2)CC[NH2+]C3)CC[N@H+]1C1CCCCC1 ZINC001237249031 1376977522 /nfs/dbraw/zinc/97/75/22/1376977522.db2.gz MZGTYSSISYQHHW-KRWDZBQOSA-N 2 1 327.516 3.171 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001135305056 1377028187 /nfs/dbraw/zinc/02/81/87/1377028187.db2.gz HBFFZUHDPAIZIR-CQSZACIVSA-N 2 1 348.878 3.092 20 0 EGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246545625 1377052321 /nfs/dbraw/zinc/05/23/21/1377052321.db2.gz WHTCKNZBRCMCJP-YVEFUNNKSA-N 2 1 346.849 3.115 20 0 EGADMP CC[C@@H]1C[C@H]([N@@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)C[C@H](CC)[NH2+]1 ZINC001246542651 1377052404 /nfs/dbraw/zinc/05/24/04/1377052404.db2.gz WPFCHHZHVJBBKJ-JJXSEGSLSA-N 2 1 326.481 3.322 20 0 EGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)C[C@H](CC)[NH2+]1 ZINC001246542651 1377052407 /nfs/dbraw/zinc/05/24/07/1377052407.db2.gz WPFCHHZHVJBBKJ-JJXSEGSLSA-N 2 1 326.481 3.322 20 0 EGADMP CC1(C)C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246722151 1377053601 /nfs/dbraw/zinc/05/36/01/1377053601.db2.gz HOQONJRZBBIYPH-UWVAXJGDSA-N 2 1 329.488 3.093 20 0 EGADMP c1ccc([C@H]2CO[C@]3(C2)CCC[N@H+](C2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)cc1 ZINC001246714771 1377053669 /nfs/dbraw/zinc/05/36/69/1377053669.db2.gz NFTGDGNJOFWJSP-BKUVARHGSA-N 2 1 326.484 3.308 20 0 EGADMP c1ccc(OC[C@@]23CCC[C@@H]2C[N@H+]([C@H]2C[C@H]4CCC[C@@H](C2)[NH2+]4)C3)nc1 ZINC001246725092 1377053674 /nfs/dbraw/zinc/05/36/74/1377053674.db2.gz OGVIXKLTMSWIAS-AGRFSFNASA-N 2 1 341.499 3.236 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001246937395 1377055784 /nfs/dbraw/zinc/05/57/84/1377055784.db2.gz MBFZQDFDEUVBAY-ZHALLVOQSA-N 2 1 336.520 3.353 20 0 EGADMP CC(C)[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001253760439 1377099877 /nfs/dbraw/zinc/09/98/77/1377099877.db2.gz HAOCNXDHSPWTRA-DSLXNQLJSA-N 2 1 336.545 3.297 20 0 EGADMP CC(C)[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001253760439 1377099882 /nfs/dbraw/zinc/09/98/82/1377099882.db2.gz HAOCNXDHSPWTRA-DSLXNQLJSA-N 2 1 336.545 3.297 20 0 EGADMP CC(C)[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001253760439 1377099884 /nfs/dbraw/zinc/09/98/84/1377099884.db2.gz HAOCNXDHSPWTRA-DSLXNQLJSA-N 2 1 336.545 3.297 20 0 EGADMP CC(C)[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001253760442 1377100120 /nfs/dbraw/zinc/10/01/20/1377100120.db2.gz HAOCNXDHSPWTRA-JCHJZTRSSA-N 2 1 336.545 3.297 20 0 EGADMP CC(C)[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001253760442 1377100123 /nfs/dbraw/zinc/10/01/23/1377100123.db2.gz HAOCNXDHSPWTRA-JCHJZTRSSA-N 2 1 336.545 3.297 20 0 EGADMP CC(C)[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001253760442 1377100124 /nfs/dbraw/zinc/10/01/24/1377100124.db2.gz HAOCNXDHSPWTRA-JCHJZTRSSA-N 2 1 336.545 3.297 20 0 EGADMP C[N@@H+](Cc1ccccc1F)C1CCN([C@H]2CCC[NH+](C)CC2)CC1 ZINC001254528933 1377106435 /nfs/dbraw/zinc/10/64/35/1377106435.db2.gz ARWJVGFSNGLEPH-IBGZPJMESA-N 2 1 333.495 3.206 20 0 EGADMP C[NH+](Cc1ccccc1F)C1CCN([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254528933 1377106439 /nfs/dbraw/zinc/10/64/39/1377106439.db2.gz ARWJVGFSNGLEPH-IBGZPJMESA-N 2 1 333.495 3.206 20 0 EGADMP C[NH+](Cc1ccccc1F)C1CCN([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254528933 1377106442 /nfs/dbraw/zinc/10/64/42/1377106442.db2.gz ARWJVGFSNGLEPH-IBGZPJMESA-N 2 1 333.495 3.206 20 0 EGADMP CN(Cc1ccccc1F)C1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254528933 1377106446 /nfs/dbraw/zinc/10/64/46/1377106446.db2.gz ARWJVGFSNGLEPH-IBGZPJMESA-N 2 1 333.495 3.206 20 0 EGADMP CN(Cc1ccccc1F)C1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254528933 1377106452 /nfs/dbraw/zinc/10/64/52/1377106452.db2.gz ARWJVGFSNGLEPH-IBGZPJMESA-N 2 1 333.495 3.206 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477417 1377111666 /nfs/dbraw/zinc/11/16/66/1377111666.db2.gz VBQCVQMSYLCMIY-IRXDYDNUSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)CC[C@@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001256365807 1377111918 /nfs/dbraw/zinc/11/19/18/1377111918.db2.gz TVDFMUMCTDUARU-MISYRCLQSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccsc1 ZINC001135584265 1377155266 /nfs/dbraw/zinc/15/52/66/1377155266.db2.gz MFMNKCIBRDMCPD-HUUCEWRRSA-N 2 1 348.516 3.141 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCCC1 ZINC001135600221 1377158939 /nfs/dbraw/zinc/15/89/39/1377158939.db2.gz IYGXORVJASCSCZ-IRXDYDNUSA-N 2 1 348.535 3.460 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135861955 1377238771 /nfs/dbraw/zinc/23/87/71/1377238771.db2.gz ZNICTYSUGMNPRD-IAGOWNOFSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001135926013 1377265450 /nfs/dbraw/zinc/26/54/50/1377265450.db2.gz AQYMSQURLJTLFX-WOJBJXKFSA-N 2 1 345.531 3.090 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001135981068 1377286081 /nfs/dbraw/zinc/28/60/81/1377286081.db2.gz XFBQGQPKLYVQID-HUUCEWRRSA-N 2 1 347.494 3.027 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001135980534 1377286473 /nfs/dbraw/zinc/28/64/73/1377286473.db2.gz PPMKDANNEWQZOO-IAGOWNOFSA-N 2 1 345.531 3.279 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1ccccc1 ZINC001135995412 1377291854 /nfs/dbraw/zinc/29/18/54/1377291854.db2.gz FAPNTANWPVOKMH-RBUKOAKNSA-N 2 1 347.547 3.224 20 0 EGADMP CCC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995547 1377292025 /nfs/dbraw/zinc/29/20/25/1377292025.db2.gz HRTAJGNQQMZXNV-UIVAWZFMSA-N 2 1 325.541 3.338 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@H]1CCCC[N@H+]1CCCC(C)(C)C ZINC001266853242 1377394885 /nfs/dbraw/zinc/39/48/85/1377394885.db2.gz IRGINUHBFIXPGC-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266858303 1377397615 /nfs/dbraw/zinc/39/76/15/1377397615.db2.gz RZBPQNGPPXDXBF-WOJBJXKFSA-N 2 1 345.531 3.052 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189277014 1388505397 /nfs/dbraw/zinc/50/53/97/1388505397.db2.gz NYMVRJVIGOPEDA-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001189277014 1388505402 /nfs/dbraw/zinc/50/54/02/1388505402.db2.gz NYMVRJVIGOPEDA-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)[N@H+](C)CCC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001271790488 1377651809 /nfs/dbraw/zinc/65/18/09/1377651809.db2.gz LTCWDACUMNXILS-FQEVSTJZSA-N 2 1 345.531 3.258 20 0 EGADMP CC(C)[N@@H+](C)CCC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001271790488 1377651812 /nfs/dbraw/zinc/65/18/12/1377651812.db2.gz LTCWDACUMNXILS-FQEVSTJZSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@H](C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2)[NH+]1[C@H](C)CC[C@H]1C ZINC001137992905 1377660689 /nfs/dbraw/zinc/66/06/89/1377660689.db2.gz TVZPCNPYGJOUEU-RBSFLKMASA-N 2 1 327.472 3.364 20 0 EGADMP CCCNC(=O)[C@@H]1CCCCN1Cc1ccc(-n2ccnc2C)cc1 ZINC001138547557 1377739724 /nfs/dbraw/zinc/73/97/24/1377739724.db2.gz PIDPAFGCEHCIJP-IBGZPJMESA-N 2 1 340.471 3.061 20 0 EGADMP CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138547557 1377739727 /nfs/dbraw/zinc/73/97/27/1377739727.db2.gz PIDPAFGCEHCIJP-IBGZPJMESA-N 2 1 340.471 3.061 20 0 EGADMP CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138547557 1377739729 /nfs/dbraw/zinc/73/97/29/1377739729.db2.gz PIDPAFGCEHCIJP-IBGZPJMESA-N 2 1 340.471 3.061 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccnn2[C@@H]2CCCCO2)CC1 ZINC001138778408 1377783237 /nfs/dbraw/zinc/78/32/37/1377783237.db2.gz BWTJVIGUKRGCJW-IBGZPJMESA-N 2 1 334.508 3.134 20 0 EGADMP C[N@@H+](Cc1ccc(OCCO)cc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001138796813 1377786914 /nfs/dbraw/zinc/78/69/14/1377786914.db2.gz AWFFGTDMURDVJB-UHFFFAOYSA-N 2 1 346.515 3.287 20 0 EGADMP CCOc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(OCC)c1 ZINC001138979731 1377812326 /nfs/dbraw/zinc/81/23/26/1377812326.db2.gz JMXUUXHJCMTZHR-UHFFFAOYSA-N 2 1 332.488 3.402 20 0 EGADMP CC(C)Oc1cccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1 ZINC001138984450 1377813315 /nfs/dbraw/zinc/81/33/15/1377813315.db2.gz LKXNCGVTCLAYOY-UHFFFAOYSA-N 2 1 331.460 3.104 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(Oc2ncccn2)cc1 ZINC001139083025 1377826162 /nfs/dbraw/zinc/82/61/62/1377826162.db2.gz JFPFWEBHOASDPH-UHFFFAOYSA-N 2 1 328.460 3.433 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccc5nonc5c4)C[C@H]3C2)cc1 ZINC001139223351 1377856221 /nfs/dbraw/zinc/85/62/21/1377856221.db2.gz KTZIGFGJJMTSLX-MOPGFXCFSA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccc5nonc5c4)C[C@H]3C2)cc1 ZINC001139223351 1377856222 /nfs/dbraw/zinc/85/62/22/1377856222.db2.gz KTZIGFGJJMTSLX-MOPGFXCFSA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccc5nonc5c4)C[C@H]3C2)cc1 ZINC001139223351 1377856223 /nfs/dbraw/zinc/85/62/23/1377856223.db2.gz KTZIGFGJJMTSLX-MOPGFXCFSA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccc5nonc5c4)C[C@H]3C2)cc1 ZINC001139223351 1377856224 /nfs/dbraw/zinc/85/62/24/1377856224.db2.gz KTZIGFGJJMTSLX-MOPGFXCFSA-N 2 1 348.450 3.177 20 0 EGADMP C[NH+](C)Cc1cc(NC(=O)C[N@H+](C)CC(C)(C)C)ccc1Cl ZINC001139287000 1377862747 /nfs/dbraw/zinc/86/27/47/1377862747.db2.gz AWLLRZXSNWVQHH-UHFFFAOYSA-N 2 1 325.884 3.318 20 0 EGADMP C[NH+](C)Cc1cc(NC(=O)C[N@@H+](C)CC(C)(C)C)ccc1Cl ZINC001139287000 1377862750 /nfs/dbraw/zinc/86/27/50/1377862750.db2.gz AWLLRZXSNWVQHH-UHFFFAOYSA-N 2 1 325.884 3.318 20 0 EGADMP Clc1ccnc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001139559825 1377907772 /nfs/dbraw/zinc/90/77/72/1377907772.db2.gz QDLIJAOTELQACX-UHFFFAOYSA-N 2 1 337.895 3.059 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+](Cc2ccccc2C(F)F)CC1 ZINC001139799156 1377952363 /nfs/dbraw/zinc/95/23/63/1377952363.db2.gz KATWBMWDKRASPH-UHFFFAOYSA-N 2 1 339.474 3.474 20 0 EGADMP Cc1c(F)cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cc1Br ZINC001140554736 1378084166 /nfs/dbraw/zinc/08/41/66/1378084166.db2.gz JNDKEGWOWDYDLB-UHFFFAOYSA-N 2 1 341.268 3.424 20 0 EGADMP CN(CCC[N@@H+](C)CC1CCCCC1)C(=O)CC[NH+]1CCCCC1 ZINC001273591392 1378105107 /nfs/dbraw/zinc/10/51/07/1378105107.db2.gz QDBYJMHVWGVCNN-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CC[C@H](C)C[N@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc2C1 ZINC001274036292 1378114477 /nfs/dbraw/zinc/11/44/77/1378114477.db2.gz MRHHLCVKOQJIFS-KXBFYZLASA-N 2 1 331.504 3.005 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)c(C)c1 ZINC001274643209 1378131510 /nfs/dbraw/zinc/13/15/10/1378131510.db2.gz IJSUWBGLHHCTMB-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001275166596 1378137326 /nfs/dbraw/zinc/13/73/26/1378137326.db2.gz BBAXPBPFNVNLKF-MHJFOBGBSA-N 2 1 349.563 3.221 20 0 EGADMP O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)N1c1ccccc1 ZINC001140803400 1378141387 /nfs/dbraw/zinc/14/13/87/1378141387.db2.gz PWVPXJZIJCCADN-WOJBJXKFSA-N 2 1 346.434 3.333 20 0 EGADMP O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)N1c1ccccc1 ZINC001140803400 1378141389 /nfs/dbraw/zinc/14/13/89/1378141389.db2.gz PWVPXJZIJCCADN-WOJBJXKFSA-N 2 1 346.434 3.333 20 0 EGADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140801361 1378141530 /nfs/dbraw/zinc/14/15/30/1378141530.db2.gz KTLJEDRWACRYNE-OAHLLOKOSA-N 2 1 344.459 3.394 20 0 EGADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140801361 1378141532 /nfs/dbraw/zinc/14/15/32/1378141532.db2.gz KTLJEDRWACRYNE-OAHLLOKOSA-N 2 1 344.459 3.394 20 0 EGADMP O=C1OC2(CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)c2ccccc21 ZINC001140807352 1378146071 /nfs/dbraw/zinc/14/60/71/1378146071.db2.gz WBDOQKFMULMYTM-UHFFFAOYSA-N 2 1 333.391 3.225 20 0 EGADMP COc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)ccc1O ZINC001275895916 1378161182 /nfs/dbraw/zinc/16/11/82/1378161182.db2.gz ZCHAMMUIKPJMNC-HDICACEKSA-N 2 1 344.499 3.487 20 0 EGADMP COc1cc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)ccc1O ZINC001275895916 1378161184 /nfs/dbraw/zinc/16/11/84/1378161184.db2.gz ZCHAMMUIKPJMNC-HDICACEKSA-N 2 1 344.499 3.487 20 0 EGADMP COc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)ccc1O ZINC001275895916 1378161186 /nfs/dbraw/zinc/16/11/86/1378161186.db2.gz ZCHAMMUIKPJMNC-HDICACEKSA-N 2 1 344.499 3.487 20 0 EGADMP Cc1cc(OC(F)(F)F)ccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001140965872 1378195612 /nfs/dbraw/zinc/19/56/12/1378195612.db2.gz MBMPETDOVGLDDV-MRXNPFEDSA-N 2 1 328.378 3.421 20 0 EGADMP Cc1cc(OC(F)(F)F)ccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001140965872 1378195618 /nfs/dbraw/zinc/19/56/18/1378195618.db2.gz MBMPETDOVGLDDV-MRXNPFEDSA-N 2 1 328.378 3.421 20 0 EGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001140965872 1378195623 /nfs/dbraw/zinc/19/56/23/1378195623.db2.gz MBMPETDOVGLDDV-MRXNPFEDSA-N 2 1 328.378 3.421 20 0 EGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001140965872 1378195627 /nfs/dbraw/zinc/19/56/27/1378195627.db2.gz MBMPETDOVGLDDV-MRXNPFEDSA-N 2 1 328.378 3.421 20 0 EGADMP CCSc1ccccc1C[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001277463927 1378224048 /nfs/dbraw/zinc/22/40/48/1378224048.db2.gz RDCQJUFKFAMOBM-ROUUACIJSA-N 2 1 333.545 3.009 20 0 EGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccnc(-c4ccc(F)cc4)c3)C[C@H]2C1 ZINC001141122252 1378245479 /nfs/dbraw/zinc/24/54/79/1378245479.db2.gz SZSAMBIHKSNXHM-QZTJIDSGSA-N 2 1 325.431 3.271 20 0 EGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(-c4ccc(F)cc4)n3)C2)C1 ZINC001141208534 1378270086 /nfs/dbraw/zinc/27/00/86/1378270086.db2.gz FPXYMPBEPBWXCB-FQEVSTJZSA-N 2 1 325.431 3.415 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(-c4ccc(F)cc4)n3)C2)C1 ZINC001141208534 1378270089 /nfs/dbraw/zinc/27/00/89/1378270089.db2.gz FPXYMPBEPBWXCB-FQEVSTJZSA-N 2 1 325.431 3.415 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(-c4ccc(F)cc4)n3)C2)C1 ZINC001141208534 1378270093 /nfs/dbraw/zinc/27/00/93/1378270093.db2.gz FPXYMPBEPBWXCB-FQEVSTJZSA-N 2 1 325.431 3.415 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(-c4ccc(F)cc4)n3)C2)C1 ZINC001141208534 1378270097 /nfs/dbraw/zinc/27/00/97/1378270097.db2.gz FPXYMPBEPBWXCB-FQEVSTJZSA-N 2 1 325.431 3.415 20 0 EGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C[C@H]2C1 ZINC001142204625 1378420004 /nfs/dbraw/zinc/42/00/04/1378420004.db2.gz IFNOVQNZGQRWJX-RTBURBONSA-N 2 1 344.499 3.416 20 0 EGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc(OC(F)(F)F)c1 ZINC001143464453 1378599994 /nfs/dbraw/zinc/59/99/94/1378599994.db2.gz PMGOSMNYEQSNLB-CABCVRRESA-N 2 1 328.378 3.277 20 0 EGADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc(OC(F)(F)F)c1 ZINC001143464453 1378599996 /nfs/dbraw/zinc/59/99/96/1378599996.db2.gz PMGOSMNYEQSNLB-CABCVRRESA-N 2 1 328.378 3.277 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc(OC(F)(F)F)c1 ZINC001143464453 1378599997 /nfs/dbraw/zinc/59/99/97/1378599997.db2.gz PMGOSMNYEQSNLB-CABCVRRESA-N 2 1 328.378 3.277 20 0 EGADMP C[N@H+](Cc1ccc(OC(F)(F)F)cc1F)CC1CC[NH+](C)CC1 ZINC001143790346 1378646095 /nfs/dbraw/zinc/64/60/95/1378646095.db2.gz BXGKEZLPEQNILP-UHFFFAOYSA-N 2 1 334.357 3.498 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001146332992 1378818702 /nfs/dbraw/zinc/81/87/02/1378818702.db2.gz LLLPPCFVBMGCAD-JKSUJKDBSA-N 2 1 346.519 3.035 20 0 EGADMP CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707034 1378904238 /nfs/dbraw/zinc/90/42/38/1378904238.db2.gz MPXCXBRKVZKCDP-QZTJIDSGSA-N 2 1 333.520 3.037 20 0 EGADMP CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707034 1378904243 /nfs/dbraw/zinc/90/42/43/1378904243.db2.gz MPXCXBRKVZKCDP-QZTJIDSGSA-N 2 1 333.520 3.037 20 0 EGADMP CCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001147716567 1379064331 /nfs/dbraw/zinc/06/43/31/1379064331.db2.gz HSKANZZJXWZZLY-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001147716567 1379064336 /nfs/dbraw/zinc/06/43/36/1379064336.db2.gz HSKANZZJXWZZLY-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001147716567 1379064341 /nfs/dbraw/zinc/06/43/41/1379064341.db2.gz HSKANZZJXWZZLY-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001147741993 1379070505 /nfs/dbraw/zinc/07/05/05/1379070505.db2.gz CRDUWJOFKXZLAY-SFFCAUCYSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001147741993 1379070509 /nfs/dbraw/zinc/07/05/09/1379070509.db2.gz CRDUWJOFKXZLAY-SFFCAUCYSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001147741993 1379070514 /nfs/dbraw/zinc/07/05/14/1379070514.db2.gz CRDUWJOFKXZLAY-SFFCAUCYSA-N 2 1 347.547 3.142 20 0 EGADMP CCCCC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001147829059 1379085939 /nfs/dbraw/zinc/08/59/39/1379085939.db2.gz CBWPPBTZQBVACL-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001147829059 1379085943 /nfs/dbraw/zinc/08/59/43/1379085943.db2.gz CBWPPBTZQBVACL-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001147829059 1379085949 /nfs/dbraw/zinc/08/59/49/1379085949.db2.gz CBWPPBTZQBVACL-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148385775 1379161876 /nfs/dbraw/zinc/16/18/76/1379161876.db2.gz QWKOLYLYOLCNAK-SFFCAUCYSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001148385775 1379161879 /nfs/dbraw/zinc/16/18/79/1379161879.db2.gz QWKOLYLYOLCNAK-SFFCAUCYSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001148385775 1379161880 /nfs/dbraw/zinc/16/18/80/1379161880.db2.gz QWKOLYLYOLCNAK-SFFCAUCYSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001148573528 1379215012 /nfs/dbraw/zinc/21/50/12/1379215012.db2.gz SUGQKUIHDXAQFW-QGZVFWFLSA-N 2 1 333.520 3.309 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C[C@@H]1C ZINC001284016978 1379365824 /nfs/dbraw/zinc/36/58/24/1379365824.db2.gz LIKCTENANKLYLD-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1[nH]c2ccccc2c1C1=CCN(C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC001327870257 1388610965 /nfs/dbraw/zinc/61/09/65/1388610965.db2.gz DOAVESGGLZBQGQ-GOSISDBHSA-N 2 1 341.499 3.267 20 0 EGADMP C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1CCCC1CCCC1 ZINC001284131400 1379513675 /nfs/dbraw/zinc/51/36/75/1379513675.db2.gz KZVQRHVLYMDAGB-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1cc(C(C)(C)C)cc(C)c1C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152445192 1379934273 /nfs/dbraw/zinc/93/42/73/1379934273.db2.gz DASHHQHMTBPTRI-UHFFFAOYSA-N 2 1 347.547 3.147 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC001152446095 1379935203 /nfs/dbraw/zinc/93/52/03/1379935203.db2.gz UBNYBFBJROBMRY-GFCCVEGCSA-N 2 1 346.302 3.100 20 0 EGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854687 1380144609 /nfs/dbraw/zinc/14/46/09/1380144609.db2.gz QFHVWIVNELXIAH-QGZVFWFLSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153854687 1380144611 /nfs/dbraw/zinc/14/46/11/1380144611.db2.gz QFHVWIVNELXIAH-QGZVFWFLSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153854687 1380144613 /nfs/dbraw/zinc/14/46/13/1380144613.db2.gz QFHVWIVNELXIAH-QGZVFWFLSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153879310 1380148221 /nfs/dbraw/zinc/14/82/21/1380148221.db2.gz FRLHRTNKQYZXJW-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CCCC1)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153879310 1380148222 /nfs/dbraw/zinc/14/82/22/1380148222.db2.gz FRLHRTNKQYZXJW-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CCCC1)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153879310 1380148224 /nfs/dbraw/zinc/14/82/24/1380148224.db2.gz FRLHRTNKQYZXJW-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455100 1380280591 /nfs/dbraw/zinc/28/05/91/1380280591.db2.gz FNKTZHDRDUAFHE-IELZWVCUSA-N 2 1 349.563 3.434 20 0 EGADMP CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464581 1380283177 /nfs/dbraw/zinc/28/31/77/1380283177.db2.gz PWPKAMXRRAKDLA-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CC1)[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001154464581 1380283179 /nfs/dbraw/zinc/28/31/79/1380283179.db2.gz PWPKAMXRRAKDLA-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CC1)[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001154464581 1380283180 /nfs/dbraw/zinc/28/31/80/1380283180.db2.gz PWPKAMXRRAKDLA-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154482033 1380286317 /nfs/dbraw/zinc/28/63/17/1380286317.db2.gz WSKNEZNJNCHAIG-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@@H+](C/C=C\Cl)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154481789 1380286563 /nfs/dbraw/zinc/28/65/63/1380286563.db2.gz UWVMHUANBRVNQY-HMWXGYMHSA-N 2 1 343.943 3.078 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844586 1380363427 /nfs/dbraw/zinc/36/34/27/1380363427.db2.gz ONKLBURJJOWWOA-KSZLIROESA-N 2 1 325.541 3.124 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001154844586 1380363430 /nfs/dbraw/zinc/36/34/30/1380363430.db2.gz ONKLBURJJOWWOA-KSZLIROESA-N 2 1 325.541 3.124 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001154844586 1380363433 /nfs/dbraw/zinc/36/34/33/1380363433.db2.gz ONKLBURJJOWWOA-KSZLIROESA-N 2 1 325.541 3.124 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC/C=C/c1ccccc1)[NH+](C)C ZINC001155289145 1380434046 /nfs/dbraw/zinc/43/40/46/1380434046.db2.gz LPPGJVVTKQCDEE-JAGYYFLNSA-N 2 1 345.531 3.257 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001155790984 1380492440 /nfs/dbraw/zinc/49/24/40/1380492440.db2.gz QEBDZEBWKRYUOK-APWZRJJASA-N 2 1 331.504 3.061 20 0 EGADMP CC[NH+](Cc1ccc(C2CC2)cc1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156193805 1380539464 /nfs/dbraw/zinc/53/94/64/1380539464.db2.gz GNHWGPZMZPCAEL-QGZVFWFLSA-N 2 1 345.531 3.232 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C2CC2)cc1 ZINC001156193805 1380539466 /nfs/dbraw/zinc/53/94/66/1380539466.db2.gz GNHWGPZMZPCAEL-QGZVFWFLSA-N 2 1 345.531 3.232 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C2CC2)cc1 ZINC001156193805 1380539468 /nfs/dbraw/zinc/53/94/68/1380539468.db2.gz GNHWGPZMZPCAEL-QGZVFWFLSA-N 2 1 345.531 3.232 20 0 EGADMP CC[NH+](CCCc1cccc(C)c1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156194791 1380539911 /nfs/dbraw/zinc/53/99/11/1380539911.db2.gz WGUXOOJZMOHJBJ-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CCCc1cccc(C)c1 ZINC001156194791 1380539912 /nfs/dbraw/zinc/53/99/12/1380539912.db2.gz WGUXOOJZMOHJBJ-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CCCc1cccc(C)c1 ZINC001156194791 1380539913 /nfs/dbraw/zinc/53/99/13/1380539913.db2.gz WGUXOOJZMOHJBJ-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)C/C=C\Cl ZINC001156306966 1380554968 /nfs/dbraw/zinc/55/49/68/1380554968.db2.gz YIPXUFHXBXEEEJ-AITIYTRBSA-N 2 1 343.943 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)C/C=C\Cl ZINC001156306966 1380554969 /nfs/dbraw/zinc/55/49/69/1380554969.db2.gz YIPXUFHXBXEEEJ-AITIYTRBSA-N 2 1 343.943 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C\Cl ZINC001156306966 1380554970 /nfs/dbraw/zinc/55/49/70/1380554970.db2.gz YIPXUFHXBXEEEJ-AITIYTRBSA-N 2 1 343.943 3.220 20 0 EGADMP CN(C)c1cc[nH+]c(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC001156315374 1380556754 /nfs/dbraw/zinc/55/67/54/1380556754.db2.gz BEPAKDYBHQDBSE-YZGWKJHDSA-N 2 1 336.483 3.470 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4ccc5c(n4)CC[NH2+]C5)[C@@H]3C2)cc1 ZINC001156313812 1380556956 /nfs/dbraw/zinc/55/69/56/1380556956.db2.gz CIZNURKLJFPTGE-ZVDOUQERSA-N 2 1 348.494 3.050 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109476 1380777781 /nfs/dbraw/zinc/77/77/81/1380777781.db2.gz OZBHRCYQHNQMDF-AEFFLSMTSA-N 2 1 325.541 3.124 20 0 EGADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001157109476 1380777784 /nfs/dbraw/zinc/77/77/84/1380777784.db2.gz OZBHRCYQHNQMDF-AEFFLSMTSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001157118962 1380779881 /nfs/dbraw/zinc/77/98/81/1380779881.db2.gz QFDOJRVOKPLXEF-MOPGFXCFSA-N 2 1 339.568 3.370 20 0 EGADMP CCC[NH+]1C[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]2C1 ZINC001157693426 1381004278 /nfs/dbraw/zinc/00/42/78/1381004278.db2.gz ZGLWFKKCQBDNGH-IRXDYDNUSA-N 2 1 348.922 3.109 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157893252 1381062776 /nfs/dbraw/zinc/06/27/76/1381062776.db2.gz CQDCLSOEVQALHY-HXUWFJFHSA-N 2 1 345.531 3.279 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001157899264 1381065052 /nfs/dbraw/zinc/06/50/52/1381065052.db2.gz LWMWJZDTPQDUNH-OALUTQOASA-N 2 1 331.504 3.106 20 0 EGADMP C[N@@H+](C/C=C\Cl)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158185202 1381151512 /nfs/dbraw/zinc/15/15/12/1381151512.db2.gz CCUMTZNWNBTVBC-HQQUCIOCSA-N 2 1 346.862 3.013 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3cc(Cl)nc4ccc(F)cc43)CC2)C1 ZINC001158258951 1381175399 /nfs/dbraw/zinc/17/53/99/1381175399.db2.gz MRDXNMULFLGWHS-CYBMUJFWSA-N 2 1 348.853 3.029 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](C2CCN(c3cc(Cl)nc4ccc(F)cc43)CC2)C1 ZINC001158258951 1381175400 /nfs/dbraw/zinc/17/54/00/1381175400.db2.gz MRDXNMULFLGWHS-CYBMUJFWSA-N 2 1 348.853 3.029 20 0 EGADMP Cc1nc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC001158265178 1381177868 /nfs/dbraw/zinc/17/78/68/1381177868.db2.gz FSXQSQTUTFHNFK-BEFAXECRSA-N 2 1 331.508 3.341 20 0 EGADMP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158437975 1381247147 /nfs/dbraw/zinc/24/71/47/1381247147.db2.gz IXPWLNHIETWOCB-IHHMQQGQSA-N 2 1 337.552 3.388 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001158473395 1381256350 /nfs/dbraw/zinc/25/63/50/1381256350.db2.gz LAEDRWNOBSLTOU-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001158473395 1381256358 /nfs/dbraw/zinc/25/63/58/1381256358.db2.gz LAEDRWNOBSLTOU-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001158473395 1381256364 /nfs/dbraw/zinc/25/63/64/1381256364.db2.gz LAEDRWNOBSLTOU-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001158473910 1381257278 /nfs/dbraw/zinc/25/72/78/1381257278.db2.gz QDZRCVPOVPRATK-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001158473910 1381257289 /nfs/dbraw/zinc/25/72/89/1381257289.db2.gz QDZRCVPOVPRATK-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001158473910 1381257291 /nfs/dbraw/zinc/25/72/91/1381257291.db2.gz QDZRCVPOVPRATK-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CCCC1)[NH+](C)C ZINC001158486389 1381263494 /nfs/dbraw/zinc/26/34/94/1381263494.db2.gz AFHNJRWDYFUOGF-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1cc(-n2ccnc2)cc[nH+]1 ZINC001158522363 1381280016 /nfs/dbraw/zinc/28/00/16/1381280016.db2.gz ZOEZATPOKRWDTM-QZTJIDSGSA-N 2 1 347.466 3.367 20 0 EGADMP Cc1ccc(C[NH+](C)C[C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)cc1 ZINC001158923390 1381466018 /nfs/dbraw/zinc/46/60/18/1381466018.db2.gz ZVTNVXLWBBMVIA-HXUWFJFHSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1ccc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)cc1 ZINC001158923390 1381466022 /nfs/dbraw/zinc/46/60/22/1381466022.db2.gz ZVTNVXLWBBMVIA-HXUWFJFHSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1ccc(C[N@H+](C)C[C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)cc1 ZINC001158923390 1381466027 /nfs/dbraw/zinc/46/60/27/1381466027.db2.gz ZVTNVXLWBBMVIA-HXUWFJFHSA-N 2 1 345.531 3.148 20 0 EGADMP COC(=O)c1cccc2[nH+]cc(Nc3ccc([C@H]4CCC[NH2+]4)cc3)n21 ZINC001159266797 1381747670 /nfs/dbraw/zinc/74/76/70/1381747670.db2.gz RVUWKKIMMRILMV-OAHLLOKOSA-N 2 1 336.395 3.289 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001159335041 1381768152 /nfs/dbraw/zinc/76/81/52/1381768152.db2.gz PSCCKRGSLHLNKC-FQEVSTJZSA-N 2 1 343.515 3.034 20 0 EGADMP CN1CC[NH+](Cc2ccc(Nc3ccc(C(C)(C)[NH3+])cc3)cc2)CC1 ZINC001159508704 1381811625 /nfs/dbraw/zinc/81/16/25/1381811625.db2.gz SKKCHMXFWTXPRK-UHFFFAOYSA-N 2 1 338.499 3.371 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]Cc1ccc(CF)cc1 ZINC001159908208 1381934205 /nfs/dbraw/zinc/93/42/05/1381934205.db2.gz GYTFOKACMUAISI-LJQANCHMSA-N 2 1 349.494 3.015 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160131568 1382008931 /nfs/dbraw/zinc/00/89/31/1382008931.db2.gz PZTSMANGGRXXJK-UHFFFAOYSA-N 2 1 335.536 3.189 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169719 1382024096 /nfs/dbraw/zinc/02/40/96/1382024096.db2.gz ZAGHRQLIOIWPIU-RBUKOAKNSA-N 2 1 335.536 3.045 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001160169719 1382024102 /nfs/dbraw/zinc/02/41/02/1382024102.db2.gz ZAGHRQLIOIWPIU-RBUKOAKNSA-N 2 1 335.536 3.045 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001160169719 1382024106 /nfs/dbraw/zinc/02/41/06/1382024106.db2.gz ZAGHRQLIOIWPIU-RBUKOAKNSA-N 2 1 335.536 3.045 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1cccc(F)c1OC1CC[NH2+]CC1 ZINC001160173156 1382024401 /nfs/dbraw/zinc/02/44/01/1382024401.db2.gz ICJMCOQTNXOVIG-UHFFFAOYSA-N 2 1 344.434 3.470 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC001160175213 1382025260 /nfs/dbraw/zinc/02/52/60/1382025260.db2.gz GQUUMQRFMPWODX-YLJYHZDGSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@H+](CC3CCCCC3)CC2)CC[NH+]1C ZINC001160175213 1382025261 /nfs/dbraw/zinc/02/52/61/1382025261.db2.gz GQUUMQRFMPWODX-YLJYHZDGSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@@H+](CC3CCCCC3)CC2)CC[NH+]1C ZINC001160175213 1382025265 /nfs/dbraw/zinc/02/52/65/1382025265.db2.gz GQUUMQRFMPWODX-YLJYHZDGSA-N 2 1 347.547 3.045 20 0 EGADMP Cc1cc(Nc2cccc(F)c2OCC2CC[NH2+]CC2)c[nH+]c1N ZINC001160195896 1382029977 /nfs/dbraw/zinc/02/99/77/1382029977.db2.gz FPPVYHJECILTTC-UHFFFAOYSA-N 2 1 330.407 3.233 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC001290312410 1382080974 /nfs/dbraw/zinc/08/09/74/1382080974.db2.gz KHEVDAFRCZULFH-SJORKVTESA-N 2 1 349.544 3.123 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160360253 1382082743 /nfs/dbraw/zinc/08/27/43/1382082743.db2.gz MJXLCEDNOCOAEB-PXNSSMCTSA-N 2 1 349.563 3.147 20 0 EGADMP CCCC[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160360286 1382083059 /nfs/dbraw/zinc/08/30/59/1382083059.db2.gz NIXCEOFNIHYWLL-IBGZPJMESA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360286 1382083053 /nfs/dbraw/zinc/08/30/53/1382083053.db2.gz NIXCEOFNIHYWLL-IBGZPJMESA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160360286 1382083061 /nfs/dbraw/zinc/08/30/61/1382083061.db2.gz NIXCEOFNIHYWLL-IBGZPJMESA-N 2 1 335.536 3.188 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160399608 1382093008 /nfs/dbraw/zinc/09/30/08/1382093008.db2.gz BPVONXQHKHGJAY-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001160399608 1382093010 /nfs/dbraw/zinc/09/30/10/1382093010.db2.gz BPVONXQHKHGJAY-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001160399608 1382093014 /nfs/dbraw/zinc/09/30/14/1382093014.db2.gz BPVONXQHKHGJAY-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160399987 1382093183 /nfs/dbraw/zinc/09/31/83/1382093183.db2.gz ISNWGVHNPVQILT-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001160399987 1382093188 /nfs/dbraw/zinc/09/31/88/1382093188.db2.gz ISNWGVHNPVQILT-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001160399987 1382093193 /nfs/dbraw/zinc/09/31/93/1382093193.db2.gz ISNWGVHNPVQILT-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[C@@H](C(=O)NCCC1=CC[N@@H+](CCCC2CCC2)CC1)[NH+](C)C ZINC001160405978 1382095417 /nfs/dbraw/zinc/09/54/17/1382095417.db2.gz GGGFAEPQXIXKSG-FQEVSTJZSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160500711 1382125225 /nfs/dbraw/zinc/12/52/25/1382125225.db2.gz QZLGAYHEOTUAGB-AZUAARDMSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001160500711 1382125228 /nfs/dbraw/zinc/12/52/28/1382125228.db2.gz QZLGAYHEOTUAGB-AZUAARDMSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001160500711 1382125231 /nfs/dbraw/zinc/12/52/31/1382125231.db2.gz QZLGAYHEOTUAGB-AZUAARDMSA-N 2 1 349.563 3.291 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1=CC[NH+](CCCC2CCC2)CC1 ZINC001160518224 1382129410 /nfs/dbraw/zinc/12/94/10/1382129410.db2.gz KVKDXIDVSBKITH-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCCC1=CC[N@H+](CCCC2CCC2)CC1 ZINC001160518224 1382129414 /nfs/dbraw/zinc/12/94/14/1382129414.db2.gz KVKDXIDVSBKITH-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001160518224 1382129417 /nfs/dbraw/zinc/12/94/17/1382129417.db2.gz KVKDXIDVSBKITH-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160592769 1382149342 /nfs/dbraw/zinc/14/93/42/1382149342.db2.gz CRVGYOSYPIYOME-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@@H](C[NH3+])CN(Cc1ccccc1)c1cc[nH+]c(N2CCCCC2)n1 ZINC001160665093 1382165032 /nfs/dbraw/zinc/16/50/32/1382165032.db2.gz HXKQXWCQDJEMHW-KRWDZBQOSA-N 2 1 339.487 3.068 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001160778791 1382193443 /nfs/dbraw/zinc/19/34/43/1382193443.db2.gz PRPPDVJLIKJRBK-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)C[NH+]1CC=C(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001160778791 1382193447 /nfs/dbraw/zinc/19/34/47/1382193447.db2.gz PRPPDVJLIKJRBK-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)C[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001160778791 1382193451 /nfs/dbraw/zinc/19/34/51/1382193451.db2.gz PRPPDVJLIKJRBK-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001160870579 1382219903 /nfs/dbraw/zinc/21/99/03/1382219903.db2.gz ZLVMAECNMTYQMG-RBUKOAKNSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC2=CC[NH+](C[C@H](C)CC)CC2)C1 ZINC001160986057 1382261368 /nfs/dbraw/zinc/26/13/68/1382261368.db2.gz LLZYSKTWUVRXLG-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC2=CC[N@H+](C[C@H](C)CC)CC2)C1 ZINC001160986057 1382261374 /nfs/dbraw/zinc/26/13/74/1382261374.db2.gz LLZYSKTWUVRXLG-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC2=CC[N@@H+](C[C@H](C)CC)CC2)C1 ZINC001160986057 1382261378 /nfs/dbraw/zinc/26/13/78/1382261378.db2.gz LLZYSKTWUVRXLG-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001161219936 1382346881 /nfs/dbraw/zinc/34/68/81/1382346881.db2.gz REJMNMAZMSZICO-SFHVURJKSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161390588 1382394266 /nfs/dbraw/zinc/39/42/66/1382394266.db2.gz HUHXOFCDWWWIDV-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CCC2)CC1 ZINC001161390666 1382394497 /nfs/dbraw/zinc/39/44/97/1382394497.db2.gz IOLBMJRYLBJBBE-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC2CCC2)CC1 ZINC001161390666 1382394503 /nfs/dbraw/zinc/39/45/03/1382394503.db2.gz IOLBMJRYLBJBBE-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001161390666 1382394507 /nfs/dbraw/zinc/39/45/07/1382394507.db2.gz IOLBMJRYLBJBBE-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001161504162 1382424764 /nfs/dbraw/zinc/42/47/64/1382424764.db2.gz DTYSFHSUTXSXPU-HJWRWDBZSA-N 2 1 335.536 3.213 20 0 EGADMP CC1CC[NH+](CC(=O)NCCC2=CC[N@@H+](CCC(C)(C)C)CC2)CC1 ZINC001161554861 1382438534 /nfs/dbraw/zinc/43/85/34/1382438534.db2.gz VDHGMAOLKHONCP-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C)c1ccccc1 ZINC001161643912 1382468338 /nfs/dbraw/zinc/46/83/38/1382468338.db2.gz DPCANDXNKRMDHY-VQTJNVASSA-N 2 1 345.531 3.354 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704532 1382485258 /nfs/dbraw/zinc/48/52/58/1382485258.db2.gz CDMXIQOHMRPICB-PMACEKPBSA-N 2 1 347.547 3.211 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCCC2=CC[NH+](CCCC3CCC3)CC2)C1 ZINC001161705805 1382485685 /nfs/dbraw/zinc/48/56/85/1382485685.db2.gz YGEZOMLZPSNUBT-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NCCC2=CC[N@H+](CCCC3CCC3)CC2)C1 ZINC001161705805 1382485686 /nfs/dbraw/zinc/48/56/86/1382485686.db2.gz YGEZOMLZPSNUBT-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NCCC2=CC[N@@H+](CCCC3CCC3)CC2)C1 ZINC001161705805 1382485687 /nfs/dbraw/zinc/48/56/87/1382485687.db2.gz YGEZOMLZPSNUBT-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NCCC2=CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001161857529 1382532253 /nfs/dbraw/zinc/53/22/53/1382532253.db2.gz PZXQXPUAYAICCH-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NCCC2=CC[N@H+](CCC3CCCCC3)CC2)C1 ZINC001161857529 1382532257 /nfs/dbraw/zinc/53/22/57/1382532257.db2.gz PZXQXPUAYAICCH-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NCCC2=CC[N@@H+](CCC3CCCCC3)CC2)C1 ZINC001161857529 1382532268 /nfs/dbraw/zinc/53/22/68/1382532268.db2.gz PZXQXPUAYAICCH-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161937672 1382561280 /nfs/dbraw/zinc/56/12/80/1382561280.db2.gz CXHBIRLTAGLWKF-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP COc1cccc(CC2([NH3+])CCN(c3[nH+]cc(C)cc3C)CC2)c1 ZINC001162048484 1382614110 /nfs/dbraw/zinc/61/41/10/1382614110.db2.gz YLWJRTMZXCTEQX-UHFFFAOYSA-N 2 1 325.456 3.247 20 0 EGADMP Cc1sc2nc(C[NH+](C)C)nc(N[C@@]34CCC[C@@H]3[NH2+]CC4)c2c1C ZINC001162984161 1382937458 /nfs/dbraw/zinc/93/74/58/1382937458.db2.gz UGCJZGMJLNWEQR-SCLBCKFNSA-N 2 1 345.516 3.066 20 0 EGADMP CCCCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)C(C)C ZINC001163007006 1382946610 /nfs/dbraw/zinc/94/66/10/1382946610.db2.gz MLVMJSKLKLEIDH-UHFFFAOYSA-N 2 1 347.547 3.178 20 0 EGADMP Cc1cc([NH+]2CCCCC2)ccc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163096103 1382963372 /nfs/dbraw/zinc/96/33/72/1382963372.db2.gz QAZJFJXURBNOIB-KRWDZBQOSA-N 2 1 329.488 3.166 20 0 EGADMP Cc1[nH+]c2ccc(NCC[C@@H]3CCOC34C[NH2+]C4)cc2n1C(C)C ZINC001163095622 1382963717 /nfs/dbraw/zinc/96/37/17/1382963717.db2.gz UXPQFWGOJMLHJJ-OAHLLOKOSA-N 2 1 328.460 3.106 20 0 EGADMP Cc1cccc(C[NH2+]CCCNC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC001163267712 1383008674 /nfs/dbraw/zinc/00/86/74/1383008674.db2.gz HZJQMNFQGFUZHV-UHFFFAOYSA-N 2 1 345.531 3.246 20 0 EGADMP C[C@H]([NH2+]CCCNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC001163274712 1383010529 /nfs/dbraw/zinc/01/05/29/1383010529.db2.gz DGJHPSXNDYWSDH-SFHVURJKSA-N 2 1 345.531 3.498 20 0 EGADMP Cc1cc2c(nc[nH+]c2NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)[nH]1 ZINC001163315106 1383019818 /nfs/dbraw/zinc/01/98/18/1383019818.db2.gz KBKPLZYDBAGZET-OAHLLOKOSA-N 2 1 325.460 3.499 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CC2(CCNC(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC001163820509 1383125539 /nfs/dbraw/zinc/12/55/39/1383125539.db2.gz FWJFSNOLLGWKNA-HKUYNNGSSA-N 2 1 343.515 3.026 20 0 EGADMP COc1ccc(CCCNc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1 ZINC001164192549 1383164862 /nfs/dbraw/zinc/16/48/62/1383164862.db2.gz UQHADLSYIVFQQT-UHFFFAOYSA-N 2 1 336.439 3.074 20 0 EGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(NCc3cnc4ccccc4c3)cn12 ZINC001164202577 1383165632 /nfs/dbraw/zinc/16/56/32/1383165632.db2.gz WETYNXXTHOSJNY-UHFFFAOYSA-N 2 1 329.407 3.181 20 0 EGADMP Cc1[nH]c2nc[nH+]c(N3CCC(C[NH3+])(c4ccccc4)CC3)c2c1C ZINC001164438946 1383186691 /nfs/dbraw/zinc/18/66/91/1383186691.db2.gz KABAYWJAEXEPOG-UHFFFAOYSA-N 2 1 335.455 3.072 20 0 EGADMP CC[NH+]1CCC(N(C)c2[nH+]cnc3c2ccn3Cc2ccccc2)CC1 ZINC001165068470 1383220895 /nfs/dbraw/zinc/22/08/95/1383220895.db2.gz RMLAGHWMMDQOPF-UHFFFAOYSA-N 2 1 349.482 3.400 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001165331703 1383274739 /nfs/dbraw/zinc/27/47/39/1383274739.db2.gz AFBICNMJNYJHPP-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP [NH3+]C1(c2ccc(NCc3ccc(C[NH+]4CCOCC4)cc3)cc2)CC1 ZINC001165385289 1383283956 /nfs/dbraw/zinc/28/39/56/1383283956.db2.gz UBZUNBJVWNBHHK-UHFFFAOYSA-N 2 1 337.467 3.079 20 0 EGADMP [NH3+]C1([C@@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)C[C@@H]2CF)CC1 ZINC001165434227 1383296181 /nfs/dbraw/zinc/29/61/81/1383296181.db2.gz PWSSQPMXWKDOFB-XJKSGUPXSA-N 2 1 343.450 3.060 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001165484687 1383301058 /nfs/dbraw/zinc/30/10/58/1383301058.db2.gz GPGPFAVSFKCHNC-QGZVFWFLSA-N 2 1 346.519 3.073 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165729077 1383334484 /nfs/dbraw/zinc/33/44/84/1383334484.db2.gz YKKADFQLIYIYIJ-QVOQXLMASA-N 2 1 347.547 3.236 20 0 EGADMP CC(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165926747 1383365960 /nfs/dbraw/zinc/36/59/60/1383365960.db2.gz BOZRYVBXTXSUAI-GOSISDBHSA-N 2 1 337.552 3.029 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC2(C[NH2+]C[C@H](C)CC)CC2)C1 ZINC001166793253 1383478372 /nfs/dbraw/zinc/47/83/72/1383478372.db2.gz HDIFYWJVLAYWAN-MSOLQXFVSA-N 2 1 337.552 3.031 20 0 EGADMP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001166843068 1383486245 /nfs/dbraw/zinc/48/62/45/1383486245.db2.gz PCAVSRWOBGUVDX-RJCMGOLDSA-N 2 1 349.563 3.339 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001167223894 1383570458 /nfs/dbraw/zinc/57/04/58/1383570458.db2.gz CXUXEYUHBAHGEL-SFHVURJKSA-N 2 1 349.563 3.317 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001167236041 1383571929 /nfs/dbraw/zinc/57/19/29/1383571929.db2.gz GKTVUUBFJKWYCO-MJGOQNOKSA-N 2 1 349.563 3.031 20 0 EGADMP C[N@@H+](CC(=O)NCCC1(C[NH2+]CC2CCCC2)CC1)CC(C)(C)C ZINC001167240158 1383573194 /nfs/dbraw/zinc/57/31/94/1383573194.db2.gz DASMSNHSPUNAMN-UHFFFAOYSA-N 2 1 337.552 3.031 20 0 EGADMP CC1(C)CC(C[NH2+]CC2(CCNC(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001167240269 1383573264 /nfs/dbraw/zinc/57/32/64/1383573264.db2.gz HEGUKYJACAGEBV-UHFFFAOYSA-N 2 1 349.563 3.031 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167426754 1383630611 /nfs/dbraw/zinc/63/06/11/1383630611.db2.gz YFWMTAFEJYDRBT-RBUKOAKNSA-N 2 1 349.563 3.316 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167426338 1383630700 /nfs/dbraw/zinc/63/07/00/1383630700.db2.gz SHGGZWNGGILING-OALUTQOASA-N 2 1 349.563 3.460 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167426340 1383630775 /nfs/dbraw/zinc/63/07/75/1383630775.db2.gz SHGGZWNGGILING-RTBURBONSA-N 2 1 349.563 3.460 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167426339 1383630999 /nfs/dbraw/zinc/63/09/99/1383630999.db2.gz SHGGZWNGGILING-RBUKOAKNSA-N 2 1 349.563 3.460 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCCNc1[nH+]c(N)ccc1NC(=O)C(C)(C)C ZINC001167752758 1383731011 /nfs/dbraw/zinc/73/10/11/1383731011.db2.gz ZCNXUMHGZJLDON-CQSZACIVSA-N 2 1 347.507 3.325 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCNc1[nH+]c(N)ccc1NC(=O)C(C)(C)C ZINC001167752758 1383731015 /nfs/dbraw/zinc/73/10/15/1383731015.db2.gz ZCNXUMHGZJLDON-CQSZACIVSA-N 2 1 347.507 3.325 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167824312 1383749369 /nfs/dbraw/zinc/74/93/69/1383749369.db2.gz DJNSATXRKYMDTL-IRXDYDNUSA-N 2 1 341.540 3.438 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)N1CC[NH+](CCc2ccccc2)CC1 ZINC001167824655 1383749393 /nfs/dbraw/zinc/74/93/93/1383749393.db2.gz DNJWARBQGXBPAP-HXUWFJFHSA-N 2 1 331.548 3.357 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001167836834 1383755300 /nfs/dbraw/zinc/75/53/00/1383755300.db2.gz HXGVPWWKUWTTDG-HNNXBMFYSA-N 2 1 327.513 3.048 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2cc(C)ncn2)C1 ZINC001167836253 1383755394 /nfs/dbraw/zinc/75/53/94/1383755394.db2.gz YKGMGZJBCBNWKR-QZTJIDSGSA-N 2 1 334.508 3.139 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CCCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168007804 1383795025 /nfs/dbraw/zinc/79/50/25/1383795025.db2.gz BJFFRCGVBDDICA-XEMDLRDOSA-N 2 1 343.515 3.076 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168007804 1383795030 /nfs/dbraw/zinc/79/50/30/1383795030.db2.gz BJFFRCGVBDDICA-XEMDLRDOSA-N 2 1 343.515 3.076 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCCn2ccnc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005434 1383795297 /nfs/dbraw/zinc/79/52/97/1383795297.db2.gz ITSDBTDKVBKIBW-OPVJXMOQSA-N 2 1 326.488 3.304 20 0 EGADMP C[C@@H]1CC(NC[C@@H]2CCC[N@@H+](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168009769 1383795997 /nfs/dbraw/zinc/79/59/97/1383795997.db2.gz IBRWFXNIONSBMX-GGPKGHCWSA-N 2 1 329.532 3.359 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168039487 1383802286 /nfs/dbraw/zinc/80/22/86/1383802286.db2.gz FQKPOYAOKJNQEM-ZHALLVOQSA-N 2 1 344.499 3.313 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3[C@H](C2)CCCN3C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056636 1383805444 /nfs/dbraw/zinc/80/54/44/1383805444.db2.gz HEVYBKKAMWHBGH-ITEKTMBMSA-N 2 1 341.543 3.454 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3[C@H](C2)CCCN3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056636 1383805451 /nfs/dbraw/zinc/80/54/51/1383805451.db2.gz HEVYBKKAMWHBGH-ITEKTMBMSA-N 2 1 341.543 3.454 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3[C@H](C2)CCCN3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056636 1383805456 /nfs/dbraw/zinc/80/54/56/1383805456.db2.gz HEVYBKKAMWHBGH-ITEKTMBMSA-N 2 1 341.543 3.454 20 0 EGADMP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+]([C@H]1CCO[C@@H](C)C1)CC2 ZINC001168113774 1383819945 /nfs/dbraw/zinc/81/99/45/1383819945.db2.gz HUJQZVXIIRFUSZ-YJBOKZPZSA-N 2 1 347.503 3.289 20 0 EGADMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+]([C@H]1CCO[C@@H](C)C1)CC2 ZINC001168113774 1383819948 /nfs/dbraw/zinc/81/99/48/1383819948.db2.gz HUJQZVXIIRFUSZ-YJBOKZPZSA-N 2 1 347.503 3.289 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NCCC2(C[NH2+]CC3CCC(C)(C)CC3)CC2)C1 ZINC001168137288 1383825179 /nfs/dbraw/zinc/82/51/79/1383825179.db2.gz MPHGAXKHSYPNNS-GOSISDBHSA-N 2 1 349.563 3.031 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([N@@H+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001168278005 1383860799 /nfs/dbraw/zinc/86/07/99/1383860799.db2.gz ASAYOONMKKIDGI-BDTNDASRSA-N 2 1 348.490 3.226 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH+]1C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001168278005 1383860802 /nfs/dbraw/zinc/86/08/02/1383860802.db2.gz ASAYOONMKKIDGI-BDTNDASRSA-N 2 1 348.490 3.226 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH+]1C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001168278005 1383860806 /nfs/dbraw/zinc/86/08/06/1383860806.db2.gz ASAYOONMKKIDGI-BDTNDASRSA-N 2 1 348.490 3.226 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168291303 1383864936 /nfs/dbraw/zinc/86/49/36/1383864936.db2.gz VHZBLLNIMGPJKP-CALCHBBNSA-N 2 1 337.552 3.172 20 0 EGADMP CCOC(=O)Cc1ccc2c(c1)C[N@@H+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168313588 1383870890 /nfs/dbraw/zinc/87/08/90/1383870890.db2.gz DSAQUZXOXFEMCK-UHFFFAOYSA-N 2 1 344.499 3.023 20 0 EGADMP Cc1ccc(CN2C[C@@H]3C[NH+](C4CCC([NH+](C)C)CC4)C[C@H]3C2)cc1 ZINC001168319279 1383871844 /nfs/dbraw/zinc/87/18/44/1383871844.db2.gz QKIWTZFYVOERQL-JTVPBKEVSA-N 2 1 341.543 3.231 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001168327395 1383873903 /nfs/dbraw/zinc/87/39/03/1383873903.db2.gz MFRPRYBRUUCPEG-KLAILNCOSA-N 2 1 339.524 3.238 20 0 EGADMP C[C@@H]1CN(C2CC[NH+](CC3CC3)CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001168374214 1383888628 /nfs/dbraw/zinc/88/86/28/1383888628.db2.gz XNHOXSXHPLLOSB-MOPGFXCFSA-N 2 1 341.543 3.456 20 0 EGADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168394523 1383894405 /nfs/dbraw/zinc/89/44/05/1383894405.db2.gz ASNZSWSEPYMQOW-HXUWFJFHSA-N 2 1 342.483 3.485 20 0 EGADMP COc1ccc([C@H]2C[C@@H]([N@@H+](C)CC3CC[NH+](C)CC3)CCO2)cc1 ZINC001168653027 1383959724 /nfs/dbraw/zinc/95/97/24/1383959724.db2.gz LENIVMYLPYYCEN-AZUAARDMSA-N 2 1 332.488 3.189 20 0 EGADMP COc1ccc([C@@H]2C[C@@H]([N@@H+](C)CC3CC[NH+](C)CC3)CCO2)cc1 ZINC001168653028 1383959778 /nfs/dbraw/zinc/95/97/78/1383959778.db2.gz LENIVMYLPYYCEN-ICSRJNTNSA-N 2 1 332.488 3.189 20 0 EGADMP COC(=O)C1(C)CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001168745085 1383989381 /nfs/dbraw/zinc/98/93/81/1383989381.db2.gz IMYNTXTZDXDYFY-UHFFFAOYSA-N 2 1 344.499 3.363 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)CN1C(=O)OC(C)(C)C ZINC001168812051 1384015295 /nfs/dbraw/zinc/01/52/95/1384015295.db2.gz PHAPXFHUNFCPNB-ZACQAIPSSA-N 2 1 339.524 3.238 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)CN1C(=O)OC(C)(C)C ZINC001168812049 1384015934 /nfs/dbraw/zinc/01/59/34/1384015934.db2.gz PHAPXFHUNFCPNB-IKGGRYGDSA-N 2 1 339.524 3.238 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001169093561 1384105654 /nfs/dbraw/zinc/10/56/54/1384105654.db2.gz IMSIUPWZWJIXLJ-NCYKPQTJSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001169093561 1384105657 /nfs/dbraw/zinc/10/56/57/1384105657.db2.gz IMSIUPWZWJIXLJ-NCYKPQTJSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001169093561 1384105659 /nfs/dbraw/zinc/10/56/59/1384105659.db2.gz IMSIUPWZWJIXLJ-NCYKPQTJSA-N 2 1 327.516 3.113 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001169093561 1384105661 /nfs/dbraw/zinc/10/56/61/1384105661.db2.gz IMSIUPWZWJIXLJ-NCYKPQTJSA-N 3 1 327.516 3.113 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001169093561 1384105663 /nfs/dbraw/zinc/10/56/63/1384105663.db2.gz IMSIUPWZWJIXLJ-NCYKPQTJSA-N 3 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001169093561 1384105664 /nfs/dbraw/zinc/10/56/64/1384105664.db2.gz IMSIUPWZWJIXLJ-NCYKPQTJSA-N 3 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001169093561 1384105666 /nfs/dbraw/zinc/10/56/66/1384105666.db2.gz IMSIUPWZWJIXLJ-NCYKPQTJSA-N 3 1 327.516 3.113 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+]CC3CCCCCC3)cc2)CC1 ZINC001308199654 1384108110 /nfs/dbraw/zinc/10/81/10/1384108110.db2.gz BPWVDNKQPSAIMX-UHFFFAOYSA-N 2 1 329.532 3.494 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001169108156 1384108236 /nfs/dbraw/zinc/10/82/36/1384108236.db2.gz OYLUSCZRMVHEFR-CRERYFEZSA-N 2 1 349.519 3.132 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]CC3CCCCC3)cc2)CC1 ZINC001308202557 1384108454 /nfs/dbraw/zinc/10/84/54/1384108454.db2.gz HXLDCFRXHFVZFQ-UHFFFAOYSA-N 2 1 329.532 3.494 20 0 EGADMP COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001169117298 1384109227 /nfs/dbraw/zinc/10/92/27/1384109227.db2.gz XTTMXAXHTDXICE-ZMMAXQRCSA-N 2 1 328.456 3.065 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC001308270916 1384114935 /nfs/dbraw/zinc/11/49/35/1384114935.db2.gz WKUJENXORKQGNT-INIZCTEOSA-N 2 1 340.254 3.278 20 0 EGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148099 1384115053 /nfs/dbraw/zinc/11/50/53/1384115053.db2.gz YSAMTNNOEGSPCT-CGXNFDGLSA-N 2 1 327.516 3.066 20 0 EGADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169148099 1384115055 /nfs/dbraw/zinc/11/50/55/1384115055.db2.gz YSAMTNNOEGSPCT-CGXNFDGLSA-N 2 1 327.516 3.066 20 0 EGADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169148099 1384115057 /nfs/dbraw/zinc/11/50/57/1384115057.db2.gz YSAMTNNOEGSPCT-CGXNFDGLSA-N 2 1 327.516 3.066 20 0 EGADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169163033 1384117520 /nfs/dbraw/zinc/11/75/20/1384117520.db2.gz XCTRTJWDDAIDJX-FCGDIQPGSA-N 2 1 328.456 3.235 20 0 EGADMP COC(=O)c1ccc([C@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169163033 1384117522 /nfs/dbraw/zinc/11/75/22/1384117522.db2.gz XCTRTJWDDAIDJX-FCGDIQPGSA-N 2 1 328.456 3.235 20 0 EGADMP COC(=O)c1ccc([C@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169163033 1384117524 /nfs/dbraw/zinc/11/75/24/1384117524.db2.gz XCTRTJWDDAIDJX-FCGDIQPGSA-N 2 1 328.456 3.235 20 0 EGADMP Cc1ncc2n1CCN(C1CCC(OC(=O)c3ccccc3)CC1)C2 ZINC001169291611 1384133109 /nfs/dbraw/zinc/13/31/09/1384133109.db2.gz CGVYCFBCSLCPJT-UHFFFAOYSA-N 2 1 339.439 3.175 20 0 EGADMP Cc1ccc(CNc2cc[nH+]c(N3CCC([NH3+])CC3)n2)c2ccccc12 ZINC001169413066 1384145636 /nfs/dbraw/zinc/14/56/36/1384145636.db2.gz DARJYXXJADHHEV-UHFFFAOYSA-N 2 1 347.466 3.478 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](CC(=O)OC(C)(C)C)CC(C)(C)C)CC1 ZINC001308874911 1384156335 /nfs/dbraw/zinc/15/63/35/1384156335.db2.gz ATQFDFRXZOITNE-UHFFFAOYSA-N 2 1 326.525 3.408 20 0 EGADMP C[C@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169810593 1384188095 /nfs/dbraw/zinc/18/80/95/1384188095.db2.gz RGGZCCQOEDKTNB-IEBWSBKVSA-N 2 1 337.552 3.316 20 0 EGADMP c1ncc(CCNc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)s1 ZINC001169866730 1384193096 /nfs/dbraw/zinc/19/30/96/1384193096.db2.gz KGRKYFYQZOAHIG-OAHLLOKOSA-N 2 1 341.484 3.462 20 0 EGADMP Cc1cccc([C@@H](O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001169899582 1384196218 /nfs/dbraw/zinc/19/62/18/1384196218.db2.gz JBPNQQBWGFTDJI-BDTNDASRSA-N 2 1 336.479 3.092 20 0 EGADMP Cc1cccc([C@@H](O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001169899582 1384196219 /nfs/dbraw/zinc/19/62/19/1384196219.db2.gz JBPNQQBWGFTDJI-BDTNDASRSA-N 2 1 336.479 3.092 20 0 EGADMP Cc1cccc([C@@H](O)C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001169899582 1384196220 /nfs/dbraw/zinc/19/62/20/1384196220.db2.gz JBPNQQBWGFTDJI-BDTNDASRSA-N 2 1 336.479 3.092 20 0 EGADMP Cc1cccc([C@@H](O)C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001169899582 1384196221 /nfs/dbraw/zinc/19/62/21/1384196221.db2.gz JBPNQQBWGFTDJI-BDTNDASRSA-N 2 1 336.479 3.092 20 0 EGADMP CC(C)[C@@H](Nc1[nH+]cccc1N1CC[NH2+]CC1)c1ccc(F)cc1 ZINC001170062869 1384227211 /nfs/dbraw/zinc/22/72/11/1384227211.db2.gz DXOYXKXZRCLUAH-GOSISDBHSA-N 2 1 328.435 3.440 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2ccc4c(n2)C[NH2+]CC4)C3)cc1 ZINC001170329980 1384292976 /nfs/dbraw/zinc/29/29/76/1384292976.db2.gz CLJCPYISMQSNPB-OWZKRDHZSA-N 2 1 348.494 3.335 20 0 EGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+](CC[NH3+])Cc1ccccc1 ZINC001170409432 1384310979 /nfs/dbraw/zinc/31/09/79/1384310979.db2.gz BTJWOZXOTKHFCB-SFHVURJKSA-N 2 1 326.440 3.197 20 0 EGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001170409432 1384310984 /nfs/dbraw/zinc/31/09/84/1384310984.db2.gz BTJWOZXOTKHFCB-SFHVURJKSA-N 2 1 326.440 3.197 20 0 EGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001170416651 1384312669 /nfs/dbraw/zinc/31/26/69/1384312669.db2.gz FOEWMIZAKBMMBT-ZJPYXAASSA-N 2 1 330.472 3.341 20 0 EGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001170416651 1384312673 /nfs/dbraw/zinc/31/26/73/1384312673.db2.gz FOEWMIZAKBMMBT-ZJPYXAASSA-N 2 1 330.472 3.341 20 0 EGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001170416650 1384313076 /nfs/dbraw/zinc/31/30/76/1384313076.db2.gz FOEWMIZAKBMMBT-FJIDUMEYSA-N 2 1 330.472 3.341 20 0 EGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001170416650 1384313078 /nfs/dbraw/zinc/31/30/78/1384313078.db2.gz FOEWMIZAKBMMBT-FJIDUMEYSA-N 2 1 330.472 3.341 20 0 EGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001170432147 1384317582 /nfs/dbraw/zinc/31/75/82/1384317582.db2.gz QMRMQIKNKHKLOG-KBAYOESNSA-N 2 1 332.488 3.445 20 0 EGADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2C[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170465705 1384325785 /nfs/dbraw/zinc/32/57/85/1384325785.db2.gz QYPNLZVJOYGSJF-YVSFHVDLSA-N 2 1 339.524 3.366 20 0 EGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2C[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170465705 1384325788 /nfs/dbraw/zinc/32/57/88/1384325788.db2.gz QYPNLZVJOYGSJF-YVSFHVDLSA-N 2 1 339.524 3.366 20 0 EGADMP CCC/C=C\CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001170785730 1384385498 /nfs/dbraw/zinc/38/54/98/1384385498.db2.gz WAEIEUPHINXRIM-FQQSSWHASA-N 2 1 337.552 3.483 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+]([C@H]4CCCOCC4)CC[C@H]3C2)cc1 ZINC001170846201 1384397828 /nfs/dbraw/zinc/39/78/28/1384397828.db2.gz YOWNRQYOJUUJJS-HBMCJLEFSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+]([C@H]4CCCOCC4)CC[C@H]3C2)cc1 ZINC001170846201 1384397829 /nfs/dbraw/zinc/39/78/29/1384397829.db2.gz YOWNRQYOJUUJJS-HBMCJLEFSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+]([C@H]4CCCOCC4)CC[C@H]3C2)cc1 ZINC001170846201 1384397831 /nfs/dbraw/zinc/39/78/31/1384397831.db2.gz YOWNRQYOJUUJJS-HBMCJLEFSA-N 2 1 328.500 3.400 20 0 EGADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170848378 1384397843 /nfs/dbraw/zinc/39/78/43/1384397843.db2.gz HLAMEYWBORTBEJ-OAHLLOKOSA-N 2 1 334.261 3.185 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc2ccccc2)CC[N@H+]1C ZINC001170877335 1384403323 /nfs/dbraw/zinc/40/33/23/1384403323.db2.gz BRVVPEANTUMAIZ-YSIASYRMSA-N 2 1 345.531 3.182 20 0 EGADMP COc1cc2[nH+]ccn2cc1-n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001171101299 1384446030 /nfs/dbraw/zinc/44/60/30/1384446030.db2.gz YVQBOLUMFLCGAF-CYBMUJFWSA-N 2 1 332.407 3.103 20 0 EGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@@H]1CCc3cc(Cl)ccc3C1)CC2 ZINC001171119487 1384449335 /nfs/dbraw/zinc/44/93/35/1384449335.db2.gz ADVOGECGPPHTEP-QGZVFWFLSA-N 2 1 347.890 3.327 20 0 EGADMP C[C@@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171253767 1384479310 /nfs/dbraw/zinc/47/93/10/1384479310.db2.gz JQJQMNPIFCOUHQ-INIZCTEOSA-N 2 1 349.494 3.075 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001316611204 1384481326 /nfs/dbraw/zinc/48/13/26/1384481326.db2.gz OHKMZZFADSISAA-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc3ccc(C[NH3+])cc3n2)nc1 ZINC001171322214 1384494304 /nfs/dbraw/zinc/49/43/04/1384494304.db2.gz WTOJXTBIQPSIPT-HNNXBMFYSA-N 2 1 335.455 3.254 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CCN([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171439070 1384524009 /nfs/dbraw/zinc/52/40/09/1384524009.db2.gz WBSPYIRXABMEJC-MOPGFXCFSA-N 2 1 346.490 3.258 20 0 EGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171439070 1384524010 /nfs/dbraw/zinc/52/40/10/1384524010.db2.gz WBSPYIRXABMEJC-MOPGFXCFSA-N 2 1 346.490 3.258 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171439070 1384524012 /nfs/dbraw/zinc/52/40/12/1384524012.db2.gz WBSPYIRXABMEJC-MOPGFXCFSA-N 2 1 346.490 3.258 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171547535 1384559353 /nfs/dbraw/zinc/55/93/53/1384559353.db2.gz UVVJCXZTJNJHBL-WMZOPIPTSA-N 2 1 325.541 3.172 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)C ZINC001171585994 1384572156 /nfs/dbraw/zinc/57/21/56/1384572156.db2.gz GSENLITTXUYUFT-KRWDZBQOSA-N 2 1 327.557 3.418 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C(C)(C)C[NH3+])C[C@H]1C(C)(C)C ZINC001171585902 1384572682 /nfs/dbraw/zinc/57/26/82/1384572682.db2.gz NUHYQHSJVGWVNZ-KBPBESRZSA-N 2 1 327.513 3.128 20 0 EGADMP C[NH+](C)CCOc1ccccc1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171625150 1384583624 /nfs/dbraw/zinc/58/36/24/1384583624.db2.gz CUMSSQLKOVKDTB-UHFFFAOYSA-N 3 1 347.547 3.368 20 0 EGADMP C[C@H]1C[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC[C@]1(O)C(F)(F)F ZINC001171632066 1384586684 /nfs/dbraw/zinc/58/66/84/1384586684.db2.gz UUHMRTFFANWCBI-BLLLJJGKSA-N 2 1 336.442 3.273 20 0 EGADMP COc1ccccc1C1([NH3+])CC[NH+]([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171785302 1384636437 /nfs/dbraw/zinc/63/64/37/1384636437.db2.gz MCSOZPARBGYZMV-INIZCTEOSA-N 2 1 340.442 3.252 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001316880970 1384666286 /nfs/dbraw/zinc/66/62/86/1384666286.db2.gz OVSRERGAALQZHQ-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP C[NH+]1CCC2(CC[N@H+](C3CCC(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001171929231 1384685746 /nfs/dbraw/zinc/68/57/46/1384685746.db2.gz AYOZNHATZBLKBI-UHFFFAOYSA-N 2 1 336.520 3.305 20 0 EGADMP CC1(C)C[C@H]([NH2+]C2(C(N)=O)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171961805 1384696701 /nfs/dbraw/zinc/69/67/01/1384696701.db2.gz AQMGSZKFUDDZDJ-GOSISDBHSA-N 2 1 343.515 3.207 20 0 EGADMP CC1(C)C[C@H]([NH2+]C2(C(N)=O)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171961805 1384696706 /nfs/dbraw/zinc/69/67/06/1384696706.db2.gz AQMGSZKFUDDZDJ-GOSISDBHSA-N 2 1 343.515 3.207 20 0 EGADMP CC1(C)C[C@@H]([NH2+]C[C@@H](O)c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC001171974723 1384700186 /nfs/dbraw/zinc/70/01/86/1384700186.db2.gz AKNYMGROYHYGJO-VQTJNVASSA-N 2 1 339.483 3.148 20 0 EGADMP CC1(C)C[C@@H]([NH2+]CCN2CCC(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171974619 1384700301 /nfs/dbraw/zinc/70/03/01/1384700301.db2.gz IGYXCJIYEBQZHJ-FQEVSTJZSA-N 2 1 347.522 3.453 20 0 EGADMP CC1(C)C[C@@H](NCC[NH+]2CCC(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171974619 1384700303 /nfs/dbraw/zinc/70/03/03/1384700303.db2.gz IGYXCJIYEBQZHJ-FQEVSTJZSA-N 2 1 347.522 3.453 20 0 EGADMP CC1(C)C[C@@H](NCC[NH+]2CCC(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171974619 1384700305 /nfs/dbraw/zinc/70/03/05/1384700305.db2.gz IGYXCJIYEBQZHJ-FQEVSTJZSA-N 2 1 347.522 3.453 20 0 EGADMP COC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171974832 1384700986 /nfs/dbraw/zinc/70/09/86/1384700986.db2.gz ATIRWUAOBZPMOQ-GBESFXJTSA-N 2 1 344.499 3.361 20 0 EGADMP CCOC(=O)[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974996 1384701232 /nfs/dbraw/zinc/70/12/32/1384701232.db2.gz JNVREIIGYDWREX-AEFFLSMTSA-N 2 1 332.488 3.218 20 0 EGADMP CN(C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977795 1384702169 /nfs/dbraw/zinc/70/21/69/1384702169.db2.gz UMTXGQJRLHIRHX-HXUWFJFHSA-N 2 1 329.532 3.456 20 0 EGADMP C[NH+]1CCC2(C[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)CC1 ZINC001171987383 1384704982 /nfs/dbraw/zinc/70/49/82/1384704982.db2.gz ULNUIBILQMCXFF-HXUWFJFHSA-N 3 1 341.543 3.457 20 0 EGADMP C[NH+]1CCC2(C[NH+]([C@@H]3CCN(Cc4ccccc4)C(C)(C)C3)C2)CC1 ZINC001171987383 1384704984 /nfs/dbraw/zinc/70/49/84/1384704984.db2.gz ULNUIBILQMCXFF-HXUWFJFHSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+]1CCC2(CN([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)CC1 ZINC001171987383 1384704987 /nfs/dbraw/zinc/70/49/87/1384704987.db2.gz ULNUIBILQMCXFF-HXUWFJFHSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+]1CCC2(CN([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)CC1 ZINC001171987383 1384704989 /nfs/dbraw/zinc/70/49/89/1384704989.db2.gz ULNUIBILQMCXFF-HXUWFJFHSA-N 2 1 341.543 3.457 20 0 EGADMP c1nocc1CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172070196 1384717959 /nfs/dbraw/zinc/71/79/59/1384717959.db2.gz MWCKQSJTTWWQLP-OWZKRDHZSA-N 2 1 325.456 3.392 20 0 EGADMP C[C@@]1(CO)CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068720 1384718745 /nfs/dbraw/zinc/71/87/45/1384718745.db2.gz KAKDMTJQSFMOKD-PLACYPQZSA-N 2 1 328.500 3.276 20 0 EGADMP C[C@@]1(CO)CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068720 1384718749 /nfs/dbraw/zinc/71/87/49/1384718749.db2.gz KAKDMTJQSFMOKD-PLACYPQZSA-N 2 1 328.500 3.276 20 0 EGADMP C[C@@]1(CO)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068720 1384718752 /nfs/dbraw/zinc/71/87/52/1384718752.db2.gz KAKDMTJQSFMOKD-PLACYPQZSA-N 2 1 328.500 3.276 20 0 EGADMP C[C@@]1(CO)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068720 1384718755 /nfs/dbraw/zinc/71/87/55/1384718755.db2.gz KAKDMTJQSFMOKD-PLACYPQZSA-N 2 1 328.500 3.276 20 0 EGADMP C[C@@H]1C[C@H](O)CC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074678 1384719201 /nfs/dbraw/zinc/71/92/01/1384719201.db2.gz KHUMDBSUHYPCCR-QNDFHXLGSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1C[C@H](O)CC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074678 1384719206 /nfs/dbraw/zinc/71/92/06/1384719206.db2.gz KHUMDBSUHYPCCR-QNDFHXLGSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1C[C@H](O)CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074678 1384719208 /nfs/dbraw/zinc/71/92/08/1384719208.db2.gz KHUMDBSUHYPCCR-QNDFHXLGSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1C[C@H](O)CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074678 1384719210 /nfs/dbraw/zinc/71/92/10/1384719210.db2.gz KHUMDBSUHYPCCR-QNDFHXLGSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1C[C@H](O)CC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074677 1384720186 /nfs/dbraw/zinc/72/01/86/1384720186.db2.gz KHUMDBSUHYPCCR-BVJIBDCISA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1C[C@H](O)CC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074677 1384720189 /nfs/dbraw/zinc/72/01/89/1384720189.db2.gz KHUMDBSUHYPCCR-BVJIBDCISA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1C[C@H](O)CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074677 1384720205 /nfs/dbraw/zinc/72/02/05/1384720205.db2.gz KHUMDBSUHYPCCR-BVJIBDCISA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1C[C@H](O)CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074677 1384720213 /nfs/dbraw/zinc/72/02/13/1384720213.db2.gz KHUMDBSUHYPCCR-BVJIBDCISA-N 2 1 328.500 3.417 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]CCc2ccncn2)C3)cc1 ZINC001172079555 1384721341 /nfs/dbraw/zinc/72/13/41/1384721341.db2.gz PDWUFUKEDACIQA-WKCHPHFGSA-N 2 1 336.483 3.194 20 0 EGADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172081494 1384722955 /nfs/dbraw/zinc/72/29/55/1384722955.db2.gz XLYBKWJYKQMISU-MUJYYYPQSA-N 2 1 348.491 3.186 20 0 EGADMP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H](n1cc[nH+]c1CCC[NH3+])C2 ZINC001172087478 1384723321 /nfs/dbraw/zinc/72/33/21/1384723321.db2.gz FWCIWSFLGPBTLT-MUJYYYPQSA-N 2 1 348.491 3.268 20 0 EGADMP COC(=O)c1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1Cl ZINC001172104936 1384727968 /nfs/dbraw/zinc/72/79/68/1384727968.db2.gz FBAGDFSHRRKPDM-QDMKHBRRSA-N 2 1 336.863 3.232 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CS2 ZINC001172108465 1384728752 /nfs/dbraw/zinc/72/87/52/1384728752.db2.gz ALBBJRVYTCRDBP-WCXIOVBPSA-N 2 1 332.513 3.317 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CS2 ZINC001172108465 1384728754 /nfs/dbraw/zinc/72/87/54/1384728754.db2.gz ALBBJRVYTCRDBP-WCXIOVBPSA-N 2 1 332.513 3.317 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@@H](OC(=O)NC(C)(C)C)C1)C2 ZINC001172109121 1384728809 /nfs/dbraw/zinc/72/88/09/1384728809.db2.gz GREVURIDUAJREU-OVYGPGRDSA-N 2 1 337.508 3.037 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@@H](OC(=O)NC(C)(C)C)C1)C2 ZINC001172109121 1384728812 /nfs/dbraw/zinc/72/88/12/1384728812.db2.gz GREVURIDUAJREU-OVYGPGRDSA-N 2 1 337.508 3.037 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccncc3)CCOCC1)C2 ZINC001172112160 1384729639 /nfs/dbraw/zinc/72/96/39/1384729639.db2.gz SQGGLBFVMJTZMD-ACDBMABISA-N 2 1 343.515 3.026 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(N3CCCCC3=O)c1)C2 ZINC001172112578 1384730649 /nfs/dbraw/zinc/73/06/49/1384730649.db2.gz XXZDNIWVJKITCG-REPLKXPHSA-N 2 1 341.499 3.308 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(N3CCCCC3=O)c1)C2 ZINC001172112578 1384730654 /nfs/dbraw/zinc/73/06/54/1384730654.db2.gz XXZDNIWVJKITCG-REPLKXPHSA-N 2 1 341.499 3.308 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cncn1Cc1cccc(F)c1)C2 ZINC001172115604 1384730792 /nfs/dbraw/zinc/73/07/92/1384730792.db2.gz TUZLFJXENBKHRN-LDLYASANSA-N 2 1 342.462 3.175 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(=O)Nc1ccc3ccccc3c1)C2 ZINC001172115177 1384731232 /nfs/dbraw/zinc/73/12/32/1384731232.db2.gz ROHJCHAQQULEIM-ACDBMABISA-N 2 1 337.467 3.383 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(=O)Nc1ccc3ccccc3c1)C2 ZINC001172115177 1384731235 /nfs/dbraw/zinc/73/12/35/1384731235.db2.gz ROHJCHAQQULEIM-ACDBMABISA-N 2 1 337.467 3.383 20 0 EGADMP COc1ccc(CC[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1OC ZINC001172114685 1384731738 /nfs/dbraw/zinc/73/17/38/1384731738.db2.gz SEMOWMADQXCDCO-PIIMJCKOSA-N 2 1 332.488 3.193 20 0 EGADMP COc1ccc(CC[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1OC ZINC001172114685 1384731741 /nfs/dbraw/zinc/73/17/41/1384731741.db2.gz SEMOWMADQXCDCO-PIIMJCKOSA-N 2 1 332.488 3.193 20 0 EGADMP COc1ccc(CC[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OC ZINC001172114685 1384731744 /nfs/dbraw/zinc/73/17/44/1384731744.db2.gz SEMOWMADQXCDCO-PIIMJCKOSA-N 2 1 332.488 3.193 20 0 EGADMP COc1ccc(CC[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1OC ZINC001172114685 1384731750 /nfs/dbraw/zinc/73/17/50/1384731750.db2.gz SEMOWMADQXCDCO-PIIMJCKOSA-N 2 1 332.488 3.193 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3[C@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172120514 1384732203 /nfs/dbraw/zinc/73/22/03/1384732203.db2.gz LCOIPARFOJGZPS-DISONHOPSA-N 2 1 349.519 3.085 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3[C@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172120514 1384732206 /nfs/dbraw/zinc/73/22/06/1384732206.db2.gz LCOIPARFOJGZPS-DISONHOPSA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]3[C@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172120514 1384732209 /nfs/dbraw/zinc/73/22/09/1384732209.db2.gz LCOIPARFOJGZPS-DISONHOPSA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]3[C@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172120514 1384732212 /nfs/dbraw/zinc/73/22/12/1384732212.db2.gz LCOIPARFOJGZPS-DISONHOPSA-N 2 1 349.519 3.085 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3CN(Cc4cccs4)C[C@H]3C1)C2 ZINC001172116029 1384732735 /nfs/dbraw/zinc/73/27/35/1384732735.db2.gz CUDYMZUHIVJSKW-QZKQXFQVSA-N 2 1 345.556 3.127 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@H]3CN(Cc4cccs4)C[C@H]3C1)C2 ZINC001172116029 1384732736 /nfs/dbraw/zinc/73/27/36/1384732736.db2.gz CUDYMZUHIVJSKW-QZKQXFQVSA-N 2 1 345.556 3.127 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@H]3CN(Cc4cccs4)C[C@H]3C1)C2 ZINC001172116029 1384732739 /nfs/dbraw/zinc/73/27/39/1384732739.db2.gz CUDYMZUHIVJSKW-QZKQXFQVSA-N 2 1 345.556 3.127 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001172121691 1384734029 /nfs/dbraw/zinc/73/40/29/1384734029.db2.gz SSMMOKGFTOFIDI-IJTOGUNISA-N 2 1 349.519 3.085 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001172121691 1384734032 /nfs/dbraw/zinc/73/40/32/1384734032.db2.gz SSMMOKGFTOFIDI-IJTOGUNISA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001172121691 1384734035 /nfs/dbraw/zinc/73/40/35/1384734035.db2.gz SSMMOKGFTOFIDI-IJTOGUNISA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001172121691 1384734038 /nfs/dbraw/zinc/73/40/38/1384734038.db2.gz SSMMOKGFTOFIDI-IJTOGUNISA-N 2 1 349.519 3.085 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC3(CC[NH2+]CC3)c3ccccc31)C2 ZINC001172129056 1384738195 /nfs/dbraw/zinc/73/81/95/1384738195.db2.gz VVANWAYZFBSCEH-BCDXTJNWSA-N 2 1 325.500 3.143 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)[C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172160201 1384739967 /nfs/dbraw/zinc/73/99/67/1384739967.db2.gz SFOZTXIBRBOUIQ-UAFMIMERSA-N 2 1 347.547 3.292 20 0 EGADMP COc1ccc(CC[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC001172224225 1384751521 /nfs/dbraw/zinc/75/15/21/1384751521.db2.gz LZRUXUIOPNYOPF-VCSGRIEYSA-N 2 1 344.499 3.002 20 0 EGADMP CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1)C1CC[NH+](CCCOC)CC1 ZINC001172251057 1384755832 /nfs/dbraw/zinc/75/58/32/1384755832.db2.gz YLDVFSPJTPOKHL-SFHVURJKSA-N 2 1 348.531 3.449 20 0 EGADMP CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1)C1CC[NH+](CCCOC)CC1 ZINC001172251057 1384755833 /nfs/dbraw/zinc/75/58/33/1384755833.db2.gz YLDVFSPJTPOKHL-SFHVURJKSA-N 2 1 348.531 3.449 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC001172255716 1384757269 /nfs/dbraw/zinc/75/72/69/1384757269.db2.gz LLSVLSCPHDRUKP-IBGZPJMESA-N 2 1 334.529 3.277 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC001172255716 1384757272 /nfs/dbraw/zinc/75/72/72/1384757272.db2.gz LLSVLSCPHDRUKP-IBGZPJMESA-N 2 1 334.529 3.277 20 0 EGADMP CC[C@H](CC(C)C)[NH2+]C1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001172395077 1384783374 /nfs/dbraw/zinc/78/33/74/1384783374.db2.gz IOIZTIHWNDVOCV-OAHLLOKOSA-N 2 1 327.513 3.129 20 0 EGADMP CC(C)COCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001172456713 1384797151 /nfs/dbraw/zinc/79/71/51/1384797151.db2.gz HOSJHERWJWUPEW-GOSISDBHSA-N 2 1 334.504 3.060 20 0 EGADMP CCCC[C@H]1C[C@@H]([NH2+]C2(C[NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001172632372 1384823491 /nfs/dbraw/zinc/82/34/91/1384823491.db2.gz HRAWONHNADKRPH-GJZGRUSLSA-N 2 1 325.497 3.026 20 0 EGADMP CC(C)[N@@H+](C)Cc1nn(C2CC(C)(C)OC(C)(C)C2)c2c1CC[NH2+]C2 ZINC001172657188 1384827596 /nfs/dbraw/zinc/82/75/96/1384827596.db2.gz OWQJCRDXNGMLDW-UHFFFAOYSA-N 2 1 348.535 3.278 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172659486 1384828352 /nfs/dbraw/zinc/82/83/52/1384828352.db2.gz YNHOTUMRXUXCRK-KRWDZBQOSA-N 2 1 338.536 3.298 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172665809 1384830067 /nfs/dbraw/zinc/83/00/67/1384830067.db2.gz NXBLWAAKADYTFY-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP [NH3+]C1(Cc2ccccn2)CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172718956 1384836976 /nfs/dbraw/zinc/83/69/76/1384836976.db2.gz YFVXGNKUBFHWMY-LJQANCHMSA-N 2 1 341.886 3.238 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001172778456 1384849548 /nfs/dbraw/zinc/84/95/48/1384849548.db2.gz MJODJRZSJIQNGT-QAPCUYQASA-N 2 1 348.462 3.197 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001172778454 1384849594 /nfs/dbraw/zinc/84/95/94/1384849594.db2.gz MJODJRZSJIQNGT-CRAIPNDOSA-N 2 1 348.462 3.197 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172829367 1384860351 /nfs/dbraw/zinc/86/03/51/1384860351.db2.gz AKFQSTLXCWOYAL-FCHUYYIVSA-N 2 1 342.527 3.428 20 0 EGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172944696 1384885395 /nfs/dbraw/zinc/88/53/95/1384885395.db2.gz YKGNMPULMQPLSJ-INIZCTEOSA-N 2 1 329.529 3.344 20 0 EGADMP CCC[NH+](CCC)CC[NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172944250 1384885441 /nfs/dbraw/zinc/88/54/41/1384885441.db2.gz PYDLWSZNUBMSRJ-INIZCTEOSA-N 2 1 329.529 3.344 20 0 EGADMP CCCOC1CCC([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CC1 ZINC001173095136 1384913291 /nfs/dbraw/zinc/91/32/91/1384913291.db2.gz ZTMSBAIGISIZBA-UHFFFAOYSA-N 3 1 327.557 3.200 20 0 EGADMP [NH3+]C1(c2cccc(F)c2)CC[NH+]([C@H]2CCc3ncsc3C2)CC1 ZINC001173123875 1384919447 /nfs/dbraw/zinc/91/94/47/1384919447.db2.gz ANFUNZAEAPEWDW-HNNXBMFYSA-N 2 1 331.460 3.090 20 0 EGADMP CCCC[NH+]1CCC([N@H+](C)[C@@H]2COc3cccc(OC)c3C2)CC1 ZINC001173167707 1384929553 /nfs/dbraw/zinc/92/95/53/1384929553.db2.gz ZKRCTEOFPCFZMK-KRWDZBQOSA-N 2 1 332.488 3.195 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2COc3cccc(OC)c3C2)CC1 ZINC001173167707 1384929556 /nfs/dbraw/zinc/92/95/56/1384929556.db2.gz ZKRCTEOFPCFZMK-KRWDZBQOSA-N 2 1 332.488 3.195 20 0 EGADMP CC[N@H+]1CC[C@H](N2CCC3(CC[NH+](Cc4cccs4)C3)CC2)C1 ZINC001173363236 1384964358 /nfs/dbraw/zinc/96/43/58/1384964358.db2.gz JYYJMIJYIAKRJA-KRWDZBQOSA-N 2 1 333.545 3.130 20 0 EGADMP CC[NH+]1CC[C@H](N2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)C1 ZINC001173363236 1384964360 /nfs/dbraw/zinc/96/43/60/1384964360.db2.gz JYYJMIJYIAKRJA-KRWDZBQOSA-N 2 1 333.545 3.130 20 0 EGADMP CC[NH+]1CC[C@H](N2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)C1 ZINC001173363236 1384964363 /nfs/dbraw/zinc/96/43/63/1384964363.db2.gz JYYJMIJYIAKRJA-KRWDZBQOSA-N 2 1 333.545 3.130 20 0 EGADMP CC[N@@H+]1CC[C@@H](N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)C1 ZINC001173362410 1384964841 /nfs/dbraw/zinc/96/48/41/1384964841.db2.gz GXZOECPBZDJFLP-GOSISDBHSA-N 2 1 336.439 3.088 20 0 EGADMP CC[N@H+]1CC[C@@H](N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)C1 ZINC001173362410 1384964843 /nfs/dbraw/zinc/96/48/43/1384964843.db2.gz GXZOECPBZDJFLP-GOSISDBHSA-N 2 1 336.439 3.088 20 0 EGADMP CCN1CC[C@@H]([N@@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)C1 ZINC001173358803 1384964912 /nfs/dbraw/zinc/96/49/12/1384964912.db2.gz LIUWLUXCQHQIHJ-PTAFHAGTSA-N 2 1 327.516 3.209 20 0 EGADMP CC[N@H+]1CC[C@@H](N2CCC[C@H]([NH+](Cc3ccccc3)C3CC3)C2)C1 ZINC001173368388 1384965787 /nfs/dbraw/zinc/96/57/87/1384965787.db2.gz PFCYVJFVVWZYKU-RTWAWAEBSA-N 2 1 327.516 3.210 20 0 EGADMP CC[NH+]1CC[C@@H](N2CCC[C@H]([N@H+](Cc3ccccc3)C3CC3)C2)C1 ZINC001173368388 1384965794 /nfs/dbraw/zinc/96/57/94/1384965794.db2.gz PFCYVJFVVWZYKU-RTWAWAEBSA-N 2 1 327.516 3.210 20 0 EGADMP CC[NH+]1CC[C@@H](N2CCC[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2)C1 ZINC001173368388 1384965799 /nfs/dbraw/zinc/96/57/99/1384965799.db2.gz PFCYVJFVVWZYKU-RTWAWAEBSA-N 2 1 327.516 3.210 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001317201449 1384977901 /nfs/dbraw/zinc/97/79/01/1384977901.db2.gz AWNLSYWXYYAMMB-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001317201449 1384977905 /nfs/dbraw/zinc/97/79/05/1384977905.db2.gz AWNLSYWXYYAMMB-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317201449 1384977910 /nfs/dbraw/zinc/97/79/10/1384977910.db2.gz AWNLSYWXYYAMMB-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001173654717 1384996591 /nfs/dbraw/zinc/99/65/91/1384996591.db2.gz SSTLGYPHVBVVRN-QYZOEREBSA-N 2 1 336.520 3.449 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001173658562 1384998252 /nfs/dbraw/zinc/99/82/52/1384998252.db2.gz QSSADFRCGHPCSZ-HCXYKTFWSA-N 2 1 336.520 3.447 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001173658562 1384998256 /nfs/dbraw/zinc/99/82/56/1384998256.db2.gz QSSADFRCGHPCSZ-HCXYKTFWSA-N 2 1 336.520 3.447 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001173658562 1384998259 /nfs/dbraw/zinc/99/82/59/1384998259.db2.gz QSSADFRCGHPCSZ-HCXYKTFWSA-N 2 1 336.520 3.447 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C(C)C)C[C@H]2C)cc1 ZINC001173723512 1385009801 /nfs/dbraw/zinc/00/98/01/1385009801.db2.gz IIGBTMXFCNHOMQ-JTDSTZFVSA-N 2 1 332.488 3.113 20 0 EGADMP C[NH+](C)Cc1ccccc1Nc1cccc(F)c1N1CC[NH+](C)CC1 ZINC001173930450 1385033171 /nfs/dbraw/zinc/03/31/71/1385033171.db2.gz GCODXJXVSKERFP-UHFFFAOYSA-N 2 1 342.462 3.383 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001317482741 1385179526 /nfs/dbraw/zinc/17/95/26/1385179526.db2.gz WTMXVSHFDDADJO-RTBURBONSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)[C@H](C)c1cccc(F)c1 ZINC001317493300 1385194345 /nfs/dbraw/zinc/19/43/45/1385194345.db2.gz VTBJJCUJOQLCLH-QGZVFWFLSA-N 2 1 349.494 3.201 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@@H](CC)c1ccccc1 ZINC001317511968 1385223052 /nfs/dbraw/zinc/22/30/52/1385223052.db2.gz GHALTFFXTVPPTH-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](CC)c1ccccc1 ZINC001317511968 1385223058 /nfs/dbraw/zinc/22/30/58/1385223058.db2.gz GHALTFFXTVPPTH-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1[C@@H](CC)c1ccccc1 ZINC001317511968 1385223061 /nfs/dbraw/zinc/22/30/61/1385223061.db2.gz GHALTFFXTVPPTH-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP C[C@@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175255883 1385230915 /nfs/dbraw/zinc/23/09/15/1385230915.db2.gz IMXLZFUULIENLQ-DLBZAZTESA-N 2 1 349.494 3.075 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175265025 1385234135 /nfs/dbraw/zinc/23/41/35/1385234135.db2.gz WTRMLHLRKWTTGA-MSOLQXFVSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175271370 1385236348 /nfs/dbraw/zinc/23/63/48/1385236348.db2.gz AKWCXHRHTQZZRJ-ADKAHSJRSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175296846 1385242528 /nfs/dbraw/zinc/24/25/28/1385242528.db2.gz QRFHKWVEDRBAMA-KRWDZBQOSA-N 2 1 339.568 3.419 20 0 EGADMP CCCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001317555891 1385324148 /nfs/dbraw/zinc/32/41/48/1385324148.db2.gz YLYJTTXAOTWZHN-IBGZPJMESA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001317555891 1385324151 /nfs/dbraw/zinc/32/41/51/1385324151.db2.gz YLYJTTXAOTWZHN-IBGZPJMESA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001317555891 1385324158 /nfs/dbraw/zinc/32/41/58/1385324158.db2.gz YLYJTTXAOTWZHN-IBGZPJMESA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001175574533 1385336425 /nfs/dbraw/zinc/33/64/25/1385336425.db2.gz XOFZPBUKCMJZHA-MJGOQNOKSA-N 2 1 337.552 3.314 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)cc1 ZINC001176279792 1385536578 /nfs/dbraw/zinc/53/65/78/1385536578.db2.gz QGLWTUMVLHDZRI-SFHVURJKSA-N 2 1 333.520 3.101 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCC(C)CC1 ZINC001176285721 1385538262 /nfs/dbraw/zinc/53/82/62/1385538262.db2.gz PVKBGRCLVROXMU-XBMUEBEBSA-N 2 1 339.568 3.419 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C ZINC001176285244 1385539135 /nfs/dbraw/zinc/53/91/35/1385539135.db2.gz NYIJQPYMMPOPTK-SFHVURJKSA-N 2 1 333.520 3.101 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH2+]C[C@H](C)CC(C)C ZINC001176591929 1385635940 /nfs/dbraw/zinc/63/59/40/1385635940.db2.gz SWSUNEUIKCAPBZ-SJORKVTESA-N 2 1 336.524 3.138 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001176759883 1385686880 /nfs/dbraw/zinc/68/68/80/1385686880.db2.gz NPYCXBJJVQYGQE-UYAOXDASSA-N 2 1 345.531 3.326 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC)c1ccc(F)cc1 ZINC001176992660 1385767591 /nfs/dbraw/zinc/76/75/91/1385767591.db2.gz WZQLUXVWNWFORP-MOPGFXCFSA-N 2 1 349.494 3.247 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001177317349 1385911869 /nfs/dbraw/zinc/91/18/69/1385911869.db2.gz UXBWTNDJEHFMDC-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(CCC[NH2+]C(C)C)CC1CCCC1 ZINC001177335648 1385918253 /nfs/dbraw/zinc/91/82/53/1385918253.db2.gz IRGGBSFEQHMQMT-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001177348208 1385923621 /nfs/dbraw/zinc/92/36/21/1385923621.db2.gz CPDIWRLQRMOZJZ-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N(CCC[NH2+]CC1CCC1)CC1CCCC1 ZINC001177488505 1385975591 /nfs/dbraw/zinc/97/55/91/1385975591.db2.gz HOLQRCRQIFHOGZ-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N(CCC[NH2+]C/C=C\Cl)CC1CCCC1 ZINC001177489213 1385976529 /nfs/dbraw/zinc/97/65/29/1385976529.db2.gz URLPKPRVIFVGDH-POHAHGRESA-N 2 1 343.943 3.078 20 0 EGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)c1C ZINC001319288415 1386045325 /nfs/dbraw/zinc/04/53/25/1386045325.db2.gz AOPDMSNJWRRVQT-IPELMVKDSA-N 2 1 331.504 3.483 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001178490924 1386233951 /nfs/dbraw/zinc/23/39/51/1386233951.db2.gz VFVANVVAVLFIJB-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001178490370 1386233985 /nfs/dbraw/zinc/23/39/85/1386233985.db2.gz LEHIRBKWBCPHIN-SFHVURJKSA-N 2 1 337.552 3.317 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCCCCC[NH2+]CC1CC1 ZINC001178528393 1386241465 /nfs/dbraw/zinc/24/14/65/1386241465.db2.gz XYTHWCWXNNQZBJ-INIZCTEOSA-N 2 1 334.508 3.073 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)[C@H](C)C1 ZINC001319714907 1386265646 /nfs/dbraw/zinc/26/56/46/1386265646.db2.gz PZAHXSVAEDTMHG-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CC[C@H](F)C[NH2+]CCCCCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001178693506 1386279499 /nfs/dbraw/zinc/27/94/99/1386279499.db2.gz UQNOGHPKWJARQM-ROUUACIJSA-N 2 1 343.531 3.264 20 0 EGADMP O=C(NCCCCCC[NH2+]CCC1CC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178811695 1386314287 /nfs/dbraw/zinc/31/42/87/1386314287.db2.gz ZBXOXOCQRDDLLR-MOPGFXCFSA-N 2 1 335.536 3.070 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C/C=C\Cl ZINC001178921068 1386350255 /nfs/dbraw/zinc/35/02/55/1386350255.db2.gz VHCLDQUHXFFXPW-PXAMLJHWSA-N 2 1 343.943 3.126 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]C/C=C\Cl ZINC001178921069 1386350417 /nfs/dbraw/zinc/35/04/17/1386350417.db2.gz VHCLDQUHXFFXPW-SECOEOQKSA-N 2 1 343.943 3.126 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001179234346 1386428431 /nfs/dbraw/zinc/42/84/31/1386428431.db2.gz LJNAHDJSWWXHSN-PXNSSMCTSA-N 2 1 349.563 3.410 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001179362024 1386463164 /nfs/dbraw/zinc/46/31/64/1386463164.db2.gz UNKQRKHLKJJVQV-FQEVSTJZSA-N 2 1 349.563 3.460 20 0 EGADMP O=C(NCCCCCC[NH2+]CCF)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001179362092 1386463834 /nfs/dbraw/zinc/46/38/34/1386463834.db2.gz WRTPFZYWLUXBSC-SFHVURJKSA-N 2 1 341.515 3.019 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC[NH+](C)CC2CCCCC2)C1 ZINC001320035550 1386466602 /nfs/dbraw/zinc/46/66/02/1386466602.db2.gz UBHZWNVLLSJQKD-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)CC[N@H+](C)CC2CCCCC2)C1 ZINC001320035550 1386466603 /nfs/dbraw/zinc/46/66/03/1386466603.db2.gz UBHZWNVLLSJQKD-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)CC[N@@H+](C)CC2CCCCC2)C1 ZINC001320035550 1386466608 /nfs/dbraw/zinc/46/66/08/1386466608.db2.gz UBHZWNVLLSJQKD-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC001179546471 1386510960 /nfs/dbraw/zinc/51/09/60/1386510960.db2.gz QQFDJUVNQYIHEQ-OPDSQHBBSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001179550202 1386512313 /nfs/dbraw/zinc/51/23/13/1386512313.db2.gz REKYMJSIAHAZJH-BZSNNMDCSA-N 2 1 339.568 3.226 20 0 EGADMP CCC(CC)C[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001179580828 1386522050 /nfs/dbraw/zinc/52/20/50/1386522050.db2.gz RRRYDXOQYRQHMC-KRWDZBQOSA-N 2 1 325.541 3.173 20 0 EGADMP CCCCCC[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001179585237 1386523051 /nfs/dbraw/zinc/52/30/51/1386523051.db2.gz DXQWAMZJNORTJR-GOSISDBHSA-N 2 1 325.541 3.175 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001179585457 1386523515 /nfs/dbraw/zinc/52/35/15/1386523515.db2.gz IFTAMWUGUFTUIY-QZTJIDSGSA-N 2 1 339.568 3.277 20 0 EGADMP CCC/C=C/CC[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001179587324 1386524392 /nfs/dbraw/zinc/52/43/92/1386524392.db2.gz YLNQNHAYZGDYJH-UEKDZROGSA-N 2 1 337.552 3.341 20 0 EGADMP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179652989 1386541168 /nfs/dbraw/zinc/54/11/68/1386541168.db2.gz VWLRSOYDGMXJDA-VDZMMWBESA-N 2 1 346.519 3.332 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001179746020 1386569844 /nfs/dbraw/zinc/56/98/44/1386569844.db2.gz LMWOBYZTDUEFSO-LJQANCHMSA-N 2 1 337.552 3.482 20 0 EGADMP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)[C@H]1C ZINC001179748541 1386571115 /nfs/dbraw/zinc/57/11/15/1386571115.db2.gz BKFYEUSEKUOAHM-BDNAOYLZSA-N 2 1 337.552 3.434 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001179988253 1386660071 /nfs/dbraw/zinc/66/00/71/1386660071.db2.gz DUSXXJHKHCJICV-UHFFFAOYSA-N 2 1 337.552 3.485 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]C/C=C/c1ccccc1 ZINC001179989491 1386660172 /nfs/dbraw/zinc/66/01/72/1386660172.db2.gz ZVRZMPRLAZNFMP-SDNWHVSQSA-N 2 1 345.531 3.308 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCCCCC[NH2+]CC1CC1)c1ccccc1 ZINC001180039918 1386677579 /nfs/dbraw/zinc/67/75/79/1386677579.db2.gz QVRLXEXACWAYDM-HXUWFJFHSA-N 2 1 345.531 3.356 20 0 EGADMP CC(C)CCC[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001180061145 1386683522 /nfs/dbraw/zinc/68/35/22/1386683522.db2.gz YOMNYSKIRVQDMK-SFHVURJKSA-N 2 1 325.541 3.031 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCCCCCC[NH2+]CCCC(C)(C)C)C1 ZINC001180060673 1386683696 /nfs/dbraw/zinc/68/36/96/1386683696.db2.gz KZGHJMLGILJTIY-SFHVURJKSA-N 2 1 339.568 3.421 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCCCCCC[NH2+]CC2=CCCCC2)C1 ZINC001180060698 1386684013 /nfs/dbraw/zinc/68/40/13/1386684013.db2.gz LWIWNBIRLDQURB-IBGZPJMESA-N 2 1 335.536 3.095 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001320709733 1386698467 /nfs/dbraw/zinc/69/84/67/1386698467.db2.gz XELKOWUZFYPCAV-MSOLQXFVSA-N 2 1 332.488 3.076 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]Cc1ccccc1CC ZINC001180124330 1386704797 /nfs/dbraw/zinc/70/47/97/1386704797.db2.gz VBRRZSUJAUNBNX-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC001320792521 1386719982 /nfs/dbraw/zinc/71/99/82/1386719982.db2.gz AXLBGIZZZOJHKG-CQSZACIVSA-N 2 1 330.501 3.210 20 0 EGADMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC001320792521 1386719988 /nfs/dbraw/zinc/71/99/88/1386719988.db2.gz AXLBGIZZZOJHKG-CQSZACIVSA-N 2 1 330.501 3.210 20 0 EGADMP CCCC[NH2+]CCCCCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001180375823 1386778623 /nfs/dbraw/zinc/77/86/23/1386778623.db2.gz UDRFOSMDZCUURK-IBGZPJMESA-N 2 1 333.520 3.356 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)cc2)cn1 ZINC001321070190 1386800104 /nfs/dbraw/zinc/80/01/04/1386800104.db2.gz KSRAWQWMTZGHDG-LJQANCHMSA-N 2 1 338.499 3.251 20 0 EGADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC001321074294 1386801563 /nfs/dbraw/zinc/80/15/63/1386801563.db2.gz IFEJQPJWGJADOP-GOSISDBHSA-N 2 1 328.431 3.446 20 0 EGADMP CC(C)CN(C(=O)CC[N@@H+](C)Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001181141635 1386945069 /nfs/dbraw/zinc/94/50/69/1386945069.db2.gz WDQIWCVHMVHRQW-MXVIHJGJSA-N 2 1 345.531 3.263 20 0 EGADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCC34CCCC4)c2)CC1 ZINC001321796938 1386986243 /nfs/dbraw/zinc/98/62/43/1386986243.db2.gz LENIOKGEDWOMLG-HXUWFJFHSA-N 2 1 327.516 3.246 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001181896898 1387072380 /nfs/dbraw/zinc/07/23/80/1387072380.db2.gz RJSXFQIDEGQLFY-VWICVCDTSA-N 2 1 349.563 3.291 20 0 EGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)C(=O)OCC)C1 ZINC001182153201 1387113491 /nfs/dbraw/zinc/11/34/91/1387113491.db2.gz YPFXREOMCGAGRL-OWCLPIDISA-N 2 1 348.478 3.454 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)C(=O)OCC)C1 ZINC001182153201 1387113496 /nfs/dbraw/zinc/11/34/96/1387113496.db2.gz YPFXREOMCGAGRL-OWCLPIDISA-N 2 1 348.478 3.454 20 0 EGADMP C[C@@H](C[N@@H+](C)CCC1CCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001322261661 1387126733 /nfs/dbraw/zinc/12/67/33/1387126733.db2.gz JNCXYWUFSUIUPC-KRWDZBQOSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)c1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001322282030 1387137701 /nfs/dbraw/zinc/13/77/01/1387137701.db2.gz VDHNEXSJWYAKEQ-YLJYHZDGSA-N 2 1 347.547 3.333 20 0 EGADMP Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N(C(C)C)C(C)(C)C[NH3+])C1 ZINC001182344511 1387153348 /nfs/dbraw/zinc/15/33/48/1387153348.db2.gz IJQCAAJFYQDGPF-LJQANCHMSA-N 2 1 345.531 3.181 20 0 EGADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)n2)s1 ZINC001322861205 1387248418 /nfs/dbraw/zinc/24/84/18/1387248418.db2.gz HOMIRBCWLPLNOL-AWEZNQCLSA-N 2 1 345.468 3.315 20 0 EGADMP COC(=O)c1ccc(CN2CCC[C@H]2CNc2cccc(C)n2)s1 ZINC001322861205 1387248423 /nfs/dbraw/zinc/24/84/23/1387248423.db2.gz HOMIRBCWLPLNOL-AWEZNQCLSA-N 2 1 345.468 3.315 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1C1CC1)[NH+](C)C ZINC001329472318 1389120148 /nfs/dbraw/zinc/12/01/48/1389120148.db2.gz OMUPHKHEVMWSAI-JXFKEZNVSA-N 2 1 345.531 3.087 20 0 EGADMP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)CC1CCCCCC1 ZINC001329586611 1389167767 /nfs/dbraw/zinc/16/77/67/1389167767.db2.gz DRFYWJSCYZFLQO-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1C1CC1)[NH+](C)C ZINC001329600745 1389177127 /nfs/dbraw/zinc/17/71/27/1389177127.db2.gz OMUPHKHEVMWSAI-OXJNMPFZSA-N 2 1 345.531 3.087 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCCC[NH+]1Cc1ccccc1C ZINC001329952498 1389271692 /nfs/dbraw/zinc/27/16/92/1389271692.db2.gz KOHGDFRQICJWOP-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccccc1C ZINC001329952498 1389271697 /nfs/dbraw/zinc/27/16/97/1389271697.db2.gz KOHGDFRQICJWOP-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCCC[N@H+]1Cc1ccccc1C ZINC001329952498 1389271700 /nfs/dbraw/zinc/27/17/00/1389271700.db2.gz KOHGDFRQICJWOP-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CN3C[C@H](C4CCCCC4)CC3=O)C[C@H]2C1 ZINC001337805530 1389448699 /nfs/dbraw/zinc/44/86/99/1389448699.db2.gz MSBAJRIZWDEHDS-UAFMIMERSA-N 2 1 347.547 3.035 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCN([C@H](C)c2ccsc2)CC1 ZINC001338019776 1389519338 /nfs/dbraw/zinc/51/93/38/1389519338.db2.gz FLSCXIYKBILXCZ-SJLPKXTDSA-N 2 1 349.544 3.218 20 0 EGADMP C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC001331291402 1389688377 /nfs/dbraw/zinc/68/83/77/1389688377.db2.gz WRYNXOZBKYEDNW-OXQOHEQNSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@H](CN(C)C(=O)CC[N@@H+](C)C1CCCCC1)[NH2+]CC1CC(C)C1 ZINC001331517823 1389780268 /nfs/dbraw/zinc/78/02/68/1389780268.db2.gz RPZIZEXKPUFSEZ-LXPRWKDFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)(C[NH+]1CCC([NH2+]C2CCOCC2)CC1)Oc1ccccc1 ZINC001332023710 1389949142 /nfs/dbraw/zinc/94/91/42/1389949142.db2.gz AEDYSGOQGOWIGR-UHFFFAOYSA-N 2 1 332.488 3.077 20 0 EGADMP CSCC[C@H]([NH3+])CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001340803487 1390371306 /nfs/dbraw/zinc/37/13/06/1390371306.db2.gz LAQUGCCCGNHCTO-RDJZCZTQSA-N 2 1 349.544 3.470 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)o1 ZINC001333890423 1390431101 /nfs/dbraw/zinc/43/11/01/1390431101.db2.gz CLWWKCAPVVLLHQ-LZLYRXPVSA-N 2 1 342.487 3.151 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)C[C@H]([NH3+])Cc2ccccc2)cc1Cl ZINC001341610938 1390509810 /nfs/dbraw/zinc/50/98/10/1390509810.db2.gz ZAPHTFHGGCHKHD-MRXNPFEDSA-N 2 1 345.874 3.300 20 0 EGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)o1 ZINC001334358036 1390524484 /nfs/dbraw/zinc/52/44/84/1390524484.db2.gz WJSBUBBCKPPMBG-YQQAZPJKSA-N 2 1 328.460 3.140 20 0 EGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)o1 ZINC001334358034 1390524694 /nfs/dbraw/zinc/52/46/94/1390524694.db2.gz WJSBUBBCKPPMBG-UXLLHSPISA-N 2 1 328.460 3.140 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cn3nc(Cl)c4ccccc43)C[C@@H]2C1 ZINC001334747257 1390579076 /nfs/dbraw/zinc/57/90/76/1390579076.db2.gz HFUQHQDSADKXNQ-QLFBSQMISA-N 2 1 332.879 3.309 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)N1C[C@@H](CC[NH3+])c2ccccc21)c1ccccc1 ZINC001342297984 1390597636 /nfs/dbraw/zinc/59/76/36/1390597636.db2.gz BYEDDWNUVUNZCR-YLJYHZDGSA-N 2 1 337.467 3.159 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1C[C@@H](CC[NH3+])c2ccccc21)c1ccccc1 ZINC001342297984 1390597638 /nfs/dbraw/zinc/59/76/38/1390597638.db2.gz BYEDDWNUVUNZCR-YLJYHZDGSA-N 2 1 337.467 3.159 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC001335399415 1390679680 /nfs/dbraw/zinc/67/96/80/1390679680.db2.gz ZYIFNHPDSUASAJ-AWEZNQCLSA-N 2 1 337.895 3.379 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001335430100 1390683849 /nfs/dbraw/zinc/68/38/49/1390683849.db2.gz KTHUQTPSIBLHAP-XJKSGUPXSA-N 2 1 330.394 3.060 20 0 EGADMP COc1ccc2nc(C[N@H+]3C[C@@H]4CC[C@H]([NH+](C)C)C[C@H]4C3)sc2c1 ZINC001343332642 1390707729 /nfs/dbraw/zinc/70/77/29/1390707729.db2.gz GQSYAUQQNUMPQJ-KKUMJFAQSA-N 2 1 345.512 3.467 20 0 EGADMP Cc1c(C(=O)OC[C@@H]2CCC[N@H+]2Cc2ccco2)ccc2c[nH+]cn21 ZINC001343351935 1390708807 /nfs/dbraw/zinc/70/88/07/1390708807.db2.gz SNVYXCLOMKSPQR-INIZCTEOSA-N 2 1 339.395 3.057 20 0 EGADMP [NH3+]CCCCCC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001346105115 1390908037 /nfs/dbraw/zinc/90/80/37/1390908037.db2.gz SBYVCZAGEWQZCV-UHFFFAOYSA-N 2 1 343.475 3.006 20 0 EGADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)c(F)c1 ZINC001346289367 1390919945 /nfs/dbraw/zinc/91/99/45/1390919945.db2.gz UAXBEYNXKCNKLH-KDOFPFPSSA-N 2 1 340.870 3.224 20 0 EGADMP C[C@H]([NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCCC1)c1ccccc1 ZINC001698804525 1406484674 /nfs/dbraw/zinc/48/46/74/1406484674.db2.gz KHZCTGWAQQTMHW-ROUUACIJSA-N 2 1 343.515 3.108 20 0 EGADMP C[C@@H](CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[NH+]1CCCCC1 ZINC001353556312 1392038879 /nfs/dbraw/zinc/03/88/79/1392038879.db2.gz RURHMCVBAGBJMZ-FXAWDEMLSA-N 2 1 343.515 3.100 20 0 EGADMP CC/C=C/CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001480087958 1392578222 /nfs/dbraw/zinc/57/82/22/1392578222.db2.gz CMSZJCABLRUVCH-WARJXXDVSA-N 2 1 337.552 3.099 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1Cl ZINC001480142140 1392599843 /nfs/dbraw/zinc/59/98/43/1392599843.db2.gz LWYLKGLEPMHXPJ-KKUMJFAQSA-N 2 1 349.906 3.122 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001480304296 1392668201 /nfs/dbraw/zinc/66/82/01/1392668201.db2.gz XEEDUJRHXUAQQL-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2C(C)C)C1 ZINC001480672913 1392846643 /nfs/dbraw/zinc/84/66/43/1392846643.db2.gz PKNPDNNNVHSHGP-GOSISDBHSA-N 2 1 345.531 3.090 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H]([N@@H+](C)C/C=C\Cl)C2)c1 ZINC001480742450 1392908728 /nfs/dbraw/zinc/90/87/28/1392908728.db2.gz LKTYQEJWPHPUKW-OEPRFQHASA-N 2 1 349.906 3.037 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001480864512 1392987924 /nfs/dbraw/zinc/98/79/24/1392987924.db2.gz RFRMIFQPKFJZTI-INIZCTEOSA-N 2 1 349.494 3.199 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001698892280 1406624404 /nfs/dbraw/zinc/62/44/04/1406624404.db2.gz KJDCKMGSFVDMQA-QFBILLFUSA-N 2 1 348.535 3.235 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)CCC[NH+](C)C)C1 ZINC001481510291 1394358925 /nfs/dbraw/zinc/35/89/25/1394358925.db2.gz YUTPUZRJGULTEF-FQEVSTJZSA-N 2 1 345.531 3.230 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](C)CCC2CC2)CC1 ZINC001481515291 1394363581 /nfs/dbraw/zinc/36/35/81/1394363581.db2.gz JNVALLFTZNTLRC-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CCC2CC2)CC1 ZINC001481515291 1394363585 /nfs/dbraw/zinc/36/35/85/1394363585.db2.gz JNVALLFTZNTLRC-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CCC2CC2)CC1 ZINC001481515291 1394363593 /nfs/dbraw/zinc/36/35/93/1394363593.db2.gz JNVALLFTZNTLRC-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001481539467 1394400984 /nfs/dbraw/zinc/40/09/84/1394400984.db2.gz PDSKRRJKNAGSBM-QUCCMNQESA-N 2 1 343.515 3.204 20 0 EGADMP CN(C(=O)CCC[NH+]1CCCC1)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001481753268 1394497708 /nfs/dbraw/zinc/49/77/08/1394497708.db2.gz RCZNLNLKMYDXFA-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001481771609 1394515262 /nfs/dbraw/zinc/51/52/62/1394515262.db2.gz OJBHUBXUJWXGFS-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP CCCC[NH+]1CC[C@@H](N(CC)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001481771609 1394515264 /nfs/dbraw/zinc/51/52/64/1394515264.db2.gz OJBHUBXUJWXGFS-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP CCCC[NH+]1CC[C@@H](N(CC)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001481771609 1394515265 /nfs/dbraw/zinc/51/52/65/1394515265.db2.gz OJBHUBXUJWXGFS-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001484723345 1395486432 /nfs/dbraw/zinc/48/64/32/1395486432.db2.gz NRQVMVARADAYFB-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001505410356 1396294125 /nfs/dbraw/zinc/29/41/25/1396294125.db2.gz IATDIZNABCUQGB-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)CC1CCC(C)(C)CC1 ZINC001492967782 1396330323 /nfs/dbraw/zinc/33/03/23/1396330323.db2.gz PPTWGMUPXCAUAD-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCNC(=O)C[N@H+](C)C1CCC1)CC1CCC(C)(C)CC1 ZINC001492967782 1396330324 /nfs/dbraw/zinc/33/03/24/1396330324.db2.gz PPTWGMUPXCAUAD-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)CC1CCC(C)(C)CC1 ZINC001492967782 1396330325 /nfs/dbraw/zinc/33/03/25/1396330325.db2.gz PPTWGMUPXCAUAD-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001493830081 1396343451 /nfs/dbraw/zinc/34/34/51/1396343451.db2.gz MIIRSHLPPNHZGK-INIZCTEOSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+][C@H](C)c2ccccc2F)CCCC1 ZINC001495953121 1396576887 /nfs/dbraw/zinc/57/68/87/1396576887.db2.gz QAMHRUAVQNQZEJ-MRXNPFEDSA-N 2 1 349.494 3.247 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001690051665 1404284073 /nfs/dbraw/zinc/28/40/73/1404284073.db2.gz LZPOTGRHLWQVFS-HXUWFJFHSA-N 2 1 349.563 3.413 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001690312642 1404469370 /nfs/dbraw/zinc/46/93/70/1404469370.db2.gz YYSAWSZONLWSDZ-IHWFROFDSA-N 2 1 347.547 3.164 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001690784260 1404731419 /nfs/dbraw/zinc/73/14/19/1404731419.db2.gz IXUKBIRHUNAOAN-MOPGFXCFSA-N 2 1 349.494 3.015 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001690784854 1404732345 /nfs/dbraw/zinc/73/23/45/1404732345.db2.gz NPRFERPHSZXVJN-RHYMJRRZSA-N 2 1 343.515 3.059 20 0 EGADMP CCc1ccc(C[NH+](C)[C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)cc1 ZINC001690822628 1404758602 /nfs/dbraw/zinc/75/86/02/1404758602.db2.gz JXLQLMXLBDCHES-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)cc1 ZINC001690822628 1404758605 /nfs/dbraw/zinc/75/86/05/1404758605.db2.gz JXLQLMXLBDCHES-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)cc1 ZINC001690822628 1404758608 /nfs/dbraw/zinc/75/86/08/1404758608.db2.gz JXLQLMXLBDCHES-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001690825039 1404762419 /nfs/dbraw/zinc/76/24/19/1404762419.db2.gz QCNNSGAAOKGWCV-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001690825039 1404762423 /nfs/dbraw/zinc/76/24/23/1404762423.db2.gz QCNNSGAAOKGWCV-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001690825039 1404762425 /nfs/dbraw/zinc/76/24/25/1404762425.db2.gz QCNNSGAAOKGWCV-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001690951630 1404861288 /nfs/dbraw/zinc/86/12/88/1404861288.db2.gz UFGDVUTXYRPSDJ-QFBILLFUSA-N 2 1 347.547 3.433 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCCC(C)(C)C)C(=O)CCC[NH+]1CCCC1 ZINC001691075110 1405008435 /nfs/dbraw/zinc/00/84/35/1405008435.db2.gz OHMYMQGRTOJXHA-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CC1CCC(C)(C)CC1 ZINC001691102858 1405042143 /nfs/dbraw/zinc/04/21/43/1405042143.db2.gz QJKANIHWKYGWPV-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001691102858 1405042148 /nfs/dbraw/zinc/04/21/48/1405042148.db2.gz QJKANIHWKYGWPV-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1CC1CCC(C)(C)CC1 ZINC001691102858 1405042149 /nfs/dbraw/zinc/04/21/49/1405042149.db2.gz QJKANIHWKYGWPV-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001691317582 1405203983 /nfs/dbraw/zinc/20/39/83/1405203983.db2.gz ZMZXVOMDXZVIDY-RBUKOAKNSA-N 2 1 331.504 3.059 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@H](C)c2ccccc2C)C1 ZINC001731678632 1427726563 /nfs/dbraw/zinc/72/65/63/1427726563.db2.gz CYHDQHVWVUJUES-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731770418 1427881262 /nfs/dbraw/zinc/88/12/62/1427881262.db2.gz VMSDDLRPAVUIDX-GOSISDBHSA-N 2 1 345.531 3.369 20 0 EGADMP CC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@@H](C)c1ccccc1C ZINC001731813647 1428003580 /nfs/dbraw/zinc/00/35/80/1428003580.db2.gz SUZATFRMNGFFSF-SFHVURJKSA-N 2 1 345.531 3.226 20 0 EGADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)c1cccc2ccccc21 ZINC001731899146 1428164938 /nfs/dbraw/zinc/16/49/38/1428164938.db2.gz SIBUCZHXBCYRHV-UZLBHIALSA-N 2 1 339.483 3.043 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001732152797 1428396581 /nfs/dbraw/zinc/39/65/81/1428396581.db2.gz NGVPYYDGMKVIQW-XFHJGTJQSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[NH2+]CC[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001732275569 1428509582 /nfs/dbraw/zinc/50/95/82/1428509582.db2.gz DYUUVQDGJXESIF-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CCC2(C1)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)CC2 ZINC001732329349 1428535847 /nfs/dbraw/zinc/53/58/47/1428535847.db2.gz CTKBDGRYGKOMOQ-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP O=C(CCC[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001699642126 1413022058 /nfs/dbraw/zinc/02/20/58/1413022058.db2.gz LUHHULOGEBTSPL-FQEVSTJZSA-N 2 1 349.563 3.413 20 0 EGADMP CCCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001699687342 1413087050 /nfs/dbraw/zinc/08/70/50/1413087050.db2.gz DQHHDFOXHPHIFA-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001699687342 1413087053 /nfs/dbraw/zinc/08/70/53/1413087053.db2.gz DQHHDFOXHPHIFA-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001699687342 1413087056 /nfs/dbraw/zinc/08/70/56/1413087056.db2.gz DQHHDFOXHPHIFA-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC2(C1)CC[NH+](CC)CC2)c1ccccc1 ZINC001699700110 1413112151 /nfs/dbraw/zinc/11/21/51/1413112151.db2.gz MEYNIHZHOSDEEE-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP C[C@@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001700324891 1413793674 /nfs/dbraw/zinc/79/36/74/1413793674.db2.gz MUFZFUCNKAJNLY-INIZCTEOSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001700439879 1414011319 /nfs/dbraw/zinc/01/13/19/1414011319.db2.gz FBKOHHYWHCJFSE-RCCFBDPRSA-N 2 1 339.568 3.083 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001700527733 1414191803 /nfs/dbraw/zinc/19/18/03/1414191803.db2.gz ZEGIBUFROXVNGV-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH2+]Cc1ccc(CNC(=O)CC[N@@H+](C)C2CCCCC2)c(F)c1 ZINC001701064302 1414721690 /nfs/dbraw/zinc/72/16/90/1414721690.db2.gz DYJVAMJXJQJLMT-UHFFFAOYSA-N 2 1 349.494 3.206 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1CCC1 ZINC001707447314 1417351479 /nfs/dbraw/zinc/35/14/79/1417351479.db2.gz QLDIQKCOLNAQNB-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCC1CCCC1 ZINC001713003421 1417557239 /nfs/dbraw/zinc/55/72/39/1417557239.db2.gz HIEHIKHHMVJROY-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001713064495 1417623124 /nfs/dbraw/zinc/62/31/24/1417623124.db2.gz SBQYONJSSAINOO-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C)C1CC[NH+](CC(CC)CC)CC1 ZINC001713102447 1417657779 /nfs/dbraw/zinc/65/77/79/1417657779.db2.gz ZANFUZILOUCZFG-UHFFFAOYSA-N 2 1 348.535 3.331 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CCCC(C)(C)C ZINC001713469256 1418135045 /nfs/dbraw/zinc/13/50/45/1418135045.db2.gz FHJGJUGLVVZDSF-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CCCC(C)(C)C ZINC001713469256 1418135037 /nfs/dbraw/zinc/13/50/37/1418135037.db2.gz FHJGJUGLVVZDSF-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)CCCC(C)(C)C ZINC001713469256 1418135039 /nfs/dbraw/zinc/13/50/39/1418135039.db2.gz FHJGJUGLVVZDSF-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)[C@@H](C)c1cccc(C)c1 ZINC001713497487 1418208912 /nfs/dbraw/zinc/20/89/12/1418208912.db2.gz PEKDZEFHNHREJB-IBGZPJMESA-N 2 1 345.531 3.370 20 0 EGADMP CCC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)Cc1csc(C)c1 ZINC001713547818 1418321601 /nfs/dbraw/zinc/32/16/01/1418321601.db2.gz KWIFEELSVRCIEH-UHFFFAOYSA-N 2 1 349.544 3.013 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001713801347 1418615786 /nfs/dbraw/zinc/61/57/86/1418615786.db2.gz PNSKNDQUHUABNZ-TXPKVOOTSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001713801347 1418615787 /nfs/dbraw/zinc/61/57/87/1418615787.db2.gz PNSKNDQUHUABNZ-TXPKVOOTSA-N 2 1 349.494 3.054 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001713826092 1418626268 /nfs/dbraw/zinc/62/62/68/1418626268.db2.gz ULAWJPTYSOPQQG-HMTUNPETSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001713826092 1418626271 /nfs/dbraw/zinc/62/62/71/1418626271.db2.gz ULAWJPTYSOPQQG-HMTUNPETSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001713826092 1418626272 /nfs/dbraw/zinc/62/62/72/1418626272.db2.gz ULAWJPTYSOPQQG-HMTUNPETSA-N 2 1 335.536 3.044 20 0 EGADMP CCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001713853773 1418650940 /nfs/dbraw/zinc/65/09/40/1418650940.db2.gz SICRDPXSPPNAIC-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001713965137 1418744644 /nfs/dbraw/zinc/74/46/44/1418744644.db2.gz YNTACIRQJHNCJK-BJLQDIEVSA-N 2 1 343.515 3.033 20 0 EGADMP CC[C@H](CNC(=O)CCc1cnc[nH]1)[NH2+][C@@H](C)c1ccccc1Cl ZINC001714080915 1418874728 /nfs/dbraw/zinc/87/47/28/1418874728.db2.gz SUYDNUFJVFIYSM-UONOGXRCSA-N 2 1 348.878 3.241 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1ccccc1 ZINC001714140028 1418942480 /nfs/dbraw/zinc/94/24/80/1418942480.db2.gz RZYUJRKHVWRGNE-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CCC([NH2+]Cc2cc(C)ccc2C)CC1 ZINC001714197659 1419002754 /nfs/dbraw/zinc/00/27/54/1419002754.db2.gz OAEZEWFCKXQVBP-UHFFFAOYSA-N 2 1 345.531 3.162 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC001714283380 1419063100 /nfs/dbraw/zinc/06/31/00/1419063100.db2.gz FUQZWNMKFCDRFK-SJORKVTESA-N 2 1 342.487 3.136 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001714289453 1419068088 /nfs/dbraw/zinc/06/80/88/1419068088.db2.gz KDMTVXKOTWNHBU-IRXDYDNUSA-N 2 1 347.547 3.481 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001714313497 1419094272 /nfs/dbraw/zinc/09/42/72/1419094272.db2.gz KSUZESLUQOFBFI-ULQDDVLXSA-N 2 1 349.494 3.246 20 0 EGADMP CCC(CC)C[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001714328606 1419107670 /nfs/dbraw/zinc/10/76/70/1419107670.db2.gz ICGXFJKXLZOZQY-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001714453742 1419186386 /nfs/dbraw/zinc/18/63/86/1419186386.db2.gz KVLHDJWBXUFGMT-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001714493504 1419216946 /nfs/dbraw/zinc/21/69/46/1419216946.db2.gz VMBCUJBOFIBUKR-RCCFBDPRSA-N 2 1 337.552 3.027 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)c1cccc(C)c1 ZINC001714589964 1419336487 /nfs/dbraw/zinc/33/64/87/1419336487.db2.gz QZVJKCVLIFOKGR-IEBWSBKVSA-N 2 1 333.520 3.080 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001714644181 1419417247 /nfs/dbraw/zinc/41/72/47/1419417247.db2.gz KWWXPVQVUAODPI-SFHVURJKSA-N 2 1 346.519 3.025 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001714644181 1419417250 /nfs/dbraw/zinc/41/72/50/1419417250.db2.gz KWWXPVQVUAODPI-SFHVURJKSA-N 2 1 346.519 3.025 20 0 EGADMP C[NH+](C)CC1(C(=O)NCC[N@@H+](CC2CCC(C)(C)CC2)C2CC2)CC1 ZINC001714669832 1419458944 /nfs/dbraw/zinc/45/89/44/1419458944.db2.gz QMDUNZDBFJAURV-UHFFFAOYSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](C[NH2+]CC1CCC(C)(C)CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001714723261 1419483850 /nfs/dbraw/zinc/48/38/50/1419483850.db2.gz JONNGISECMSNRW-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1cc(C)cc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001714749672 1419493052 /nfs/dbraw/zinc/49/30/52/1419493052.db2.gz LHHVKEIDUQVVGN-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001714881377 1419618489 /nfs/dbraw/zinc/61/84/89/1419618489.db2.gz AZNRSVNBTWUSEK-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001714881377 1419618490 /nfs/dbraw/zinc/61/84/90/1419618490.db2.gz AZNRSVNBTWUSEK-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001714881377 1419618491 /nfs/dbraw/zinc/61/84/91/1419618491.db2.gz AZNRSVNBTWUSEK-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](Cc2ccc(C)cc2C)C1 ZINC001715042253 1419781279 /nfs/dbraw/zinc/78/12/79/1419781279.db2.gz BDRJYYXSQAOSMP-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC001715042253 1419781282 /nfs/dbraw/zinc/78/12/82/1419781282.db2.gz BDRJYYXSQAOSMP-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001715042253 1419781284 /nfs/dbraw/zinc/78/12/84/1419781284.db2.gz BDRJYYXSQAOSMP-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001715048413 1419789533 /nfs/dbraw/zinc/78/95/33/1419789533.db2.gz YGPFOHQVGWOZJC-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001715048542 1419789959 /nfs/dbraw/zinc/78/99/59/1419789959.db2.gz UQUJZRNLWIKLMX-RBUKOAKNSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC001715048542 1419789962 /nfs/dbraw/zinc/78/99/62/1419789962.db2.gz UQUJZRNLWIKLMX-RBUKOAKNSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001715048542 1419789963 /nfs/dbraw/zinc/78/99/63/1419789963.db2.gz UQUJZRNLWIKLMX-RBUKOAKNSA-N 2 1 345.531 3.321 20 0 EGADMP C[C@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001715457435 1420138446 /nfs/dbraw/zinc/13/84/46/1420138446.db2.gz PMKCCKJEQXRYMB-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001716001707 1420455512 /nfs/dbraw/zinc/45/55/12/1420455512.db2.gz YTEBVDORGCSOLY-IRXDYDNUSA-N 2 1 341.499 3.337 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH2+][C@@H](C)c1ccccc1 ZINC001716220402 1420570658 /nfs/dbraw/zinc/57/06/58/1420570658.db2.gz PKLYEUQKVOANOK-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001716850728 1420981638 /nfs/dbraw/zinc/98/16/38/1420981638.db2.gz QFJGWWAPYMEHBI-HXUWFJFHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001716850728 1420981642 /nfs/dbraw/zinc/98/16/42/1420981642.db2.gz QFJGWWAPYMEHBI-HXUWFJFHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001716850728 1420981647 /nfs/dbraw/zinc/98/16/47/1420981647.db2.gz QFJGWWAPYMEHBI-HXUWFJFHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@](C)(CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001716902689 1421035133 /nfs/dbraw/zinc/03/51/33/1421035133.db2.gz LVZXDBKDUFEEMK-HXUWFJFHSA-N 2 1 349.519 3.363 20 0 EGADMP C[C@H]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@H+]1CCC1CC1 ZINC001717333642 1421269866 /nfs/dbraw/zinc/26/98/66/1421269866.db2.gz KDBIVZJULCTXIZ-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[NH+]1CCC1CC1 ZINC001717333642 1421269868 /nfs/dbraw/zinc/26/98/68/1421269868.db2.gz KDBIVZJULCTXIZ-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[NH+]1CCC1CC1 ZINC001717333642 1421269870 /nfs/dbraw/zinc/26/98/70/1421269870.db2.gz KDBIVZJULCTXIZ-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001717377085 1421319869 /nfs/dbraw/zinc/31/98/69/1421319869.db2.gz GGMWRRIWGJDYTM-UXHICEINSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001717543250 1421483929 /nfs/dbraw/zinc/48/39/29/1421483929.db2.gz UJJHLUQKKOVSRD-LJQANCHMSA-N 2 1 337.552 3.413 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)[C@H]1C ZINC001717859819 1421671755 /nfs/dbraw/zinc/67/17/55/1421671755.db2.gz FOJDHQIIDPJLFP-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)[C@H]1C ZINC001717859819 1421671758 /nfs/dbraw/zinc/67/17/58/1421671758.db2.gz FOJDHQIIDPJLFP-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)[C@H]1C ZINC001717859819 1421671761 /nfs/dbraw/zinc/67/17/61/1421671761.db2.gz FOJDHQIIDPJLFP-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2c(C)cccc2C)[C@H]1C ZINC001717859648 1421672018 /nfs/dbraw/zinc/67/20/18/1421672018.db2.gz CSRDBDCZWZLLFX-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2c(C)cccc2C)[C@H]1C ZINC001717859648 1421672020 /nfs/dbraw/zinc/67/20/20/1421672020.db2.gz CSRDBDCZWZLLFX-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2c(C)cccc2C)[C@H]1C ZINC001717859648 1421672021 /nfs/dbraw/zinc/67/20/21/1421672021.db2.gz CSRDBDCZWZLLFX-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1ccccc1C[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001733412386 1429612985 /nfs/dbraw/zinc/61/29/85/1429612985.db2.gz MTNOWJPDOYMSCZ-OAQYLSRUSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccccc1C[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001733412386 1429612987 /nfs/dbraw/zinc/61/29/87/1429612987.db2.gz MTNOWJPDOYMSCZ-OAQYLSRUSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccccc1C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001733412386 1429612993 /nfs/dbraw/zinc/61/29/93/1429612993.db2.gz MTNOWJPDOYMSCZ-OAQYLSRUSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC001733769031 1429995830 /nfs/dbraw/zinc/99/58/30/1429995830.db2.gz LUAOCKXEDYXISS-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001733769031 1429995836 /nfs/dbraw/zinc/99/58/36/1429995836.db2.gz LUAOCKXEDYXISS-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001733769031 1429995840 /nfs/dbraw/zinc/99/58/40/1429995840.db2.gz LUAOCKXEDYXISS-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2C)CC1 ZINC001724755490 1425126146 /nfs/dbraw/zinc/12/61/46/1425126146.db2.gz WVPCXTHQMIOIPD-KESTWPANSA-N 2 1 345.531 3.101 20 0 EGADMP CCc1ccc(C[N@@H+](C)CCCN(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC001724850091 1425210670 /nfs/dbraw/zinc/21/06/70/1425210670.db2.gz DUZYCQMWMMYKFL-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001731352326 1427291359 /nfs/dbraw/zinc/29/13/59/1427291359.db2.gz MUDFCBLKICWCMY-KRWDZBQOSA-N 2 1 331.504 3.012 20 0 EGADMP Cc1cc(C)c(C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)c(C)c1 ZINC001731619443 1427667826 /nfs/dbraw/zinc/66/78/26/1427667826.db2.gz WSYCSACCXMSVHA-SFHVURJKSA-N 2 1 347.547 3.184 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001731721594 1427791314 /nfs/dbraw/zinc/79/13/14/1427791314.db2.gz VIYCDFGXKAKTSA-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001731721594 1427791309 /nfs/dbraw/zinc/79/13/09/1427791309.db2.gz VIYCDFGXKAKTSA-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001731721594 1427791317 /nfs/dbraw/zinc/79/13/17/1427791317.db2.gz VIYCDFGXKAKTSA-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]2CNC(=O)CCC[NH+](C)C)c(C)c1 ZINC001731830738 1428040254 /nfs/dbraw/zinc/04/02/54/1428040254.db2.gz NPECNJZFMUFAQY-LJQANCHMSA-N 2 1 345.531 3.034 20 0 EGADMP CCC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)CC1CCCCCC1 ZINC001731868544 1428119613 /nfs/dbraw/zinc/11/96/13/1428119613.db2.gz AFOZBIQTCLVPKJ-SFHVURJKSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)CC1CCCCCC1 ZINC001731868544 1428119618 /nfs/dbraw/zinc/11/96/18/1428119618.db2.gz AFOZBIQTCLVPKJ-SFHVURJKSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)CC1CCCCCC1 ZINC001731868544 1428119621 /nfs/dbraw/zinc/11/96/21/1428119621.db2.gz AFOZBIQTCLVPKJ-SFHVURJKSA-N 2 1 337.552 3.127 20 0 EGADMP CC[C@H]([NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC001731985043 1428196596 /nfs/dbraw/zinc/19/65/96/1428196596.db2.gz DRHDRTUWIQADLS-KRWDZBQOSA-N 2 1 348.878 3.044 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](CC[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001733670569 1429864604 /nfs/dbraw/zinc/86/46/04/1429864604.db2.gz LWFIFIZFHRWONY-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](C/C=C/c2ccccc2)CC1 ZINC001733770578 1430000873 /nfs/dbraw/zinc/00/08/73/1430000873.db2.gz UDYMMYKUHBCQOZ-WUTDNEBXSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)CC1 ZINC001733770578 1430000874 /nfs/dbraw/zinc/00/08/74/1430000874.db2.gz UDYMMYKUHBCQOZ-WUTDNEBXSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)CC1 ZINC001733770578 1430000880 /nfs/dbraw/zinc/00/08/80/1430000880.db2.gz UDYMMYKUHBCQOZ-WUTDNEBXSA-N 2 1 343.515 3.012 20 0 EGADMP CN(CCC[N@@H+](C)[C@@H]1CCCc2ccccc21)C(=O)CCC[NH+](C)C ZINC001733775459 1430019594 /nfs/dbraw/zinc/01/95/94/1430019594.db2.gz GEDWWZXHKTXHJQ-HXUWFJFHSA-N 2 1 345.531 3.186 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@H]1CCCCC[N@H+]1CCC1CCCC1 ZINC001734105012 1437891117 /nfs/dbraw/zinc/89/11/17/1437891117.db2.gz ZEIOXGBXOZLHQD-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@H+]1CCC1CCCC1 ZINC001734462636 1438119006 /nfs/dbraw/zinc/11/90/06/1438119006.db2.gz UNIPWQOKOUONQT-APWZRJJASA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCC[NH+]1CCC1CCCC1 ZINC001734462636 1438119008 /nfs/dbraw/zinc/11/90/08/1438119008.db2.gz UNIPWQOKOUONQT-APWZRJJASA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCC[NH+]1CCC1CCCC1 ZINC001734462636 1438119009 /nfs/dbraw/zinc/11/90/09/1438119009.db2.gz UNIPWQOKOUONQT-APWZRJJASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)c1cccc(F)c1 ZINC001751974570 1440129945 /nfs/dbraw/zinc/12/99/45/1440129945.db2.gz HTSBRERHJZDTPW-APWZRJJASA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC001751974570 1440129946 /nfs/dbraw/zinc/12/99/46/1440129946.db2.gz HTSBRERHJZDTPW-APWZRJJASA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)[C@H](C)c1cccc(F)c1 ZINC001751974570 1440129948 /nfs/dbraw/zinc/12/99/48/1440129948.db2.gz HTSBRERHJZDTPW-APWZRJJASA-N 2 1 349.494 3.198 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)CCCNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001752078203 1440138733 /nfs/dbraw/zinc/13/87/33/1440138733.db2.gz QNAUHEZMIRMVJJ-SFHVURJKSA-N 2 1 345.531 3.226 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCCC[N@@H+](C)CC1=CCCCC1)c1ccccc1 ZINC001752126744 1440143388 /nfs/dbraw/zinc/14/33/88/1440143388.db2.gz VLZGOXOXAVYOQN-FQEVSTJZSA-N 2 1 343.515 3.228 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCCC[N@H+](C)CC1=CCCCC1)c1ccccc1 ZINC001752126744 1440143390 /nfs/dbraw/zinc/14/33/90/1440143390.db2.gz VLZGOXOXAVYOQN-FQEVSTJZSA-N 2 1 343.515 3.228 20 0 EGADMP C[NH+](C)C1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC(C)(C)C)CCC1 ZINC001752696266 1440201016 /nfs/dbraw/zinc/20/10/16/1440201016.db2.gz PFIDCTXIAKMMFG-AYHJJNSGSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001752732030 1440204095 /nfs/dbraw/zinc/20/40/95/1440204095.db2.gz YCWCAAYNWVASTA-QRVBRYPASA-N 2 1 349.563 3.314 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001752785598 1440211084 /nfs/dbraw/zinc/21/10/84/1440211084.db2.gz CCWWRMRJMVXNCU-RBUKOAKNSA-N 2 1 337.552 3.127 20 0 EGADMP CCCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001752785598 1440211085 /nfs/dbraw/zinc/21/10/85/1440211085.db2.gz CCWWRMRJMVXNCU-RBUKOAKNSA-N 2 1 337.552 3.127 20 0 EGADMP CCCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001752785598 1440211086 /nfs/dbraw/zinc/21/10/86/1440211086.db2.gz CCWWRMRJMVXNCU-RBUKOAKNSA-N 2 1 337.552 3.127 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CCCC2CCCC2)C1)[NH+](C)C ZINC001752787995 1440212194 /nfs/dbraw/zinc/21/21/94/1440212194.db2.gz YTJKQIAZXFHSFV-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+]1CC(C)C ZINC001752834445 1440227149 /nfs/dbraw/zinc/22/71/49/1440227149.db2.gz SDHZKQLKLPTTCK-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CC(C)C ZINC001752834445 1440227150 /nfs/dbraw/zinc/22/71/50/1440227150.db2.gz SDHZKQLKLPTTCK-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+]1CC(C)C ZINC001752834445 1440227151 /nfs/dbraw/zinc/22/71/51/1440227151.db2.gz SDHZKQLKLPTTCK-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001752875670 1440237971 /nfs/dbraw/zinc/23/79/71/1440237971.db2.gz LRUBFUXIQCKKGH-HZPDHXFCSA-N 2 1 346.519 3.071 20 0 EGADMP CCC/C=C\CC[NH2+][C@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001752900663 1440242813 /nfs/dbraw/zinc/24/28/13/1440242813.db2.gz JZADCCNWCGKVRO-RQUZMNLWSA-N 2 1 341.515 3.040 20 0 EGADMP CC/C=C\CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001752991989 1440259659 /nfs/dbraw/zinc/25/96/59/1440259659.db2.gz BXLJTNUDULHTHB-PWBPZBFBSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001752991989 1440259660 /nfs/dbraw/zinc/25/96/60/1440259660.db2.gz BXLJTNUDULHTHB-PWBPZBFBSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001752991989 1440259661 /nfs/dbraw/zinc/25/96/61/1440259661.db2.gz BXLJTNUDULHTHB-PWBPZBFBSA-N 2 1 335.536 3.140 20 0 EGADMP Cc1cccc([C@H](C)[NH+](C)[C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001752999438 1440263778 /nfs/dbraw/zinc/26/37/78/1440263778.db2.gz ADMHXPQMVNTNED-AZUAARDMSA-N 2 1 345.531 3.319 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001752999438 1440263779 /nfs/dbraw/zinc/26/37/79/1440263779.db2.gz ADMHXPQMVNTNED-AZUAARDMSA-N 2 1 345.531 3.319 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001752999438 1440263780 /nfs/dbraw/zinc/26/37/80/1440263780.db2.gz ADMHXPQMVNTNED-AZUAARDMSA-N 2 1 345.531 3.319 20 0 EGADMP Cc1ccccc1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001753008977 1440266394 /nfs/dbraw/zinc/26/63/94/1440266394.db2.gz XAFNFHARJJBJNG-UYAOXDASSA-N 2 1 345.531 3.100 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCC(C)(C)C ZINC001753014458 1440268085 /nfs/dbraw/zinc/26/80/85/1440268085.db2.gz MXALLFHNJMONIK-SJORKVTESA-N 2 1 325.541 3.170 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001753030747 1440272708 /nfs/dbraw/zinc/27/27/08/1440272708.db2.gz DOBMXPQXSXOHBF-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)C1(C(=O)NCC[N@H+](C)Cc2ccc(C(C)(C)C)cc2)CCC1 ZINC001753052466 1440279841 /nfs/dbraw/zinc/27/98/41/1440279841.db2.gz CPDZUEIKVCPAAF-UHFFFAOYSA-N 2 1 345.531 3.016 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](C)c1ccc(F)cc1 ZINC001753056279 1440281586 /nfs/dbraw/zinc/28/15/86/1440281586.db2.gz ZGOIEDHOQGQNTJ-QFBILLFUSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001753056279 1440281587 /nfs/dbraw/zinc/28/15/87/1440281587.db2.gz ZGOIEDHOQGQNTJ-QFBILLFUSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001753056279 1440281588 /nfs/dbraw/zinc/28/15/88/1440281588.db2.gz ZGOIEDHOQGQNTJ-QFBILLFUSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)c1ccccc1C[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753059838 1440282803 /nfs/dbraw/zinc/28/28/03/1440282803.db2.gz WZLZXYITIXOUFD-UHFFFAOYSA-N 2 1 345.531 3.232 20 0 EGADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccsc1)[NH+]1CCCCCC1 ZINC001753112506 1440309332 /nfs/dbraw/zinc/30/93/32/1440309332.db2.gz FBWHQNZRASCFRD-WMZOPIPTSA-N 2 1 349.544 3.093 20 0 EGADMP CCC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)[C@H](C)c1ccccc1 ZINC001753145260 1440323977 /nfs/dbraw/zinc/32/39/77/1440323977.db2.gz BJQBDXGRSKUNTB-GOSISDBHSA-N 2 1 343.515 3.204 20 0 EGADMP Cc1c(C(=O)NCC[N@@H+](CCC(C)(C)C)C2CC2)ccc2c[nH+]cn21 ZINC001753157534 1440331762 /nfs/dbraw/zinc/33/17/62/1440331762.db2.gz NFJABJHTRQMLSM-UHFFFAOYSA-N 2 1 342.487 3.273 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001753337133 1440372999 /nfs/dbraw/zinc/37/29/99/1440372999.db2.gz HOXGQBNVXHWPOT-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP O=C(C[NH+]1CCCC1)NCC[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001753339354 1440374355 /nfs/dbraw/zinc/37/43/55/1440374355.db2.gz OLURCIKCUXINTQ-FQEVSTJZSA-N 2 1 349.563 3.271 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001753357973 1440381055 /nfs/dbraw/zinc/38/10/55/1440381055.db2.gz IUFZHLCQAAHCNT-SJORKVTESA-N 2 1 349.494 3.009 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001753357973 1440381056 /nfs/dbraw/zinc/38/10/56/1440381056.db2.gz IUFZHLCQAAHCNT-SJORKVTESA-N 2 1 349.494 3.009 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001753357973 1440381057 /nfs/dbraw/zinc/38/10/57/1440381057.db2.gz IUFZHLCQAAHCNT-SJORKVTESA-N 2 1 349.494 3.009 20 0 EGADMP CC(C)CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001753365990 1440385245 /nfs/dbraw/zinc/38/52/45/1440385245.db2.gz UKKHTQTWLGHKRB-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001753365990 1440385246 /nfs/dbraw/zinc/38/52/46/1440385246.db2.gz UKKHTQTWLGHKRB-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001753365990 1440385247 /nfs/dbraw/zinc/38/52/47/1440385247.db2.gz UKKHTQTWLGHKRB-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1CCC[N@H+]([C@@H](CC)c2ccc(F)cc2)C1)[NH+](C)C ZINC001753368452 1440386718 /nfs/dbraw/zinc/38/67/18/1440386718.db2.gz WOCKXFZPJOBODU-CEXWTWQISA-N 2 1 349.494 3.198 20 0 EGADMP CCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001753439589 1440401365 /nfs/dbraw/zinc/40/13/65/1440401365.db2.gz OWWANCMBXDDYSP-RTBURBONSA-N 2 1 335.536 3.116 20 0 EGADMP CCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001753439589 1440401366 /nfs/dbraw/zinc/40/13/66/1440401366.db2.gz OWWANCMBXDDYSP-RTBURBONSA-N 2 1 335.536 3.116 20 0 EGADMP CCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001753439589 1440401367 /nfs/dbraw/zinc/40/13/67/1440401367.db2.gz OWWANCMBXDDYSP-RTBURBONSA-N 2 1 335.536 3.116 20 0 EGADMP C[C@@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1)c1ccccc1 ZINC001753503801 1440424032 /nfs/dbraw/zinc/42/40/32/1440424032.db2.gz SSMPYNUNNSPWPR-ZHALLVOQSA-N 2 1 343.515 3.106 20 0 EGADMP CC/C=C\CC[NH2+]C[C@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@@H]1C ZINC001753534200 1440432034 /nfs/dbraw/zinc/43/20/34/1440432034.db2.gz QQMALTPNTZUMDN-RSLBVYTFSA-N 2 1 346.519 3.203 20 0 EGADMP CC(C)CC[NH2+]CC[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001753547924 1440434548 /nfs/dbraw/zinc/43/45/48/1440434548.db2.gz JQYHJXSDVPMWBZ-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001753549851 1440434782 /nfs/dbraw/zinc/43/47/82/1440434782.db2.gz FMYNBMZPCNQFHZ-RTBURBONSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001753568999 1440438070 /nfs/dbraw/zinc/43/80/70/1440438070.db2.gz KTJDZFOQNHSDHT-IBGZPJMESA-N 2 1 335.536 3.044 20 0 EGADMP C[N@@H+](CC(=O)NCc1ccc(C[NH2+]CCC(C)(C)C)cc1)C1CCC1 ZINC001753589245 1440442327 /nfs/dbraw/zinc/44/23/27/1440442327.db2.gz RXPZVPCNQCETHD-UHFFFAOYSA-N 2 1 345.531 3.313 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C[NH2+]CC1CCCC1 ZINC001753641540 1440454542 /nfs/dbraw/zinc/45/45/42/1440454542.db2.gz XJNZTGYZKIUKTK-XLIONFOSSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001753740722 1440479089 /nfs/dbraw/zinc/47/90/89/1440479089.db2.gz ZYYASLMLCNORIF-MOPGFXCFSA-N 2 1 337.552 3.336 20 0 EGADMP CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C1CCCCC1 ZINC001753749615 1440482120 /nfs/dbraw/zinc/48/21/20/1440482120.db2.gz MWRJIOAXCLEMCM-OALUTQOASA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001753864360 1440513265 /nfs/dbraw/zinc/51/32/65/1440513265.db2.gz ISOBKLOFICEWTJ-OALUTQOASA-N 2 1 339.568 3.322 20 0 EGADMP CC(C)C[C@H](C)C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001753864360 1440513266 /nfs/dbraw/zinc/51/32/66/1440513266.db2.gz ISOBKLOFICEWTJ-OALUTQOASA-N 2 1 339.568 3.322 20 0 EGADMP CC(C)C[C@H](C)C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001753864360 1440513267 /nfs/dbraw/zinc/51/32/67/1440513267.db2.gz ISOBKLOFICEWTJ-OALUTQOASA-N 2 1 339.568 3.322 20 0 EGADMP C[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCCC(C)(C)C)C2)CC1 ZINC001753876117 1440519413 /nfs/dbraw/zinc/51/94/13/1440519413.db2.gz RABLMMLEGNCXRX-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@@H]21 ZINC001753878141 1440519842 /nfs/dbraw/zinc/51/98/42/1440519842.db2.gz NXPIQTGCCRMUTG-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CC2CCCCCC2)C1 ZINC001753878095 1440519956 /nfs/dbraw/zinc/51/99/56/1440519956.db2.gz NNSTYNVILJLMHR-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCCCCC2)C1 ZINC001753878095 1440519957 /nfs/dbraw/zinc/51/99/57/1440519957.db2.gz NNSTYNVILJLMHR-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCCCCC2)C1 ZINC001753878095 1440519958 /nfs/dbraw/zinc/51/99/58/1440519958.db2.gz NNSTYNVILJLMHR-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001753891820 1440522102 /nfs/dbraw/zinc/52/21/02/1440522102.db2.gz PUXOYXMNJHBHBR-RTBURBONSA-N 2 1 346.519 3.036 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]CC[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001753971155 1440527130 /nfs/dbraw/zinc/52/71/30/1440527130.db2.gz SLPYZUJIJGTPJF-ROUUACIJSA-N 2 1 345.531 3.333 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001754250313 1440557784 /nfs/dbraw/zinc/55/77/84/1440557784.db2.gz YMUHNFVOVQJXSF-IAGOWNOFSA-N 2 1 341.499 3.337 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCC1CCCCCC1 ZINC001754255150 1440558954 /nfs/dbraw/zinc/55/89/54/1440558954.db2.gz DGWTXNNGCRKFSW-IEBWSBKVSA-N 2 1 337.552 3.316 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2cc(C)ccc2C)C1 ZINC001754280080 1440562972 /nfs/dbraw/zinc/56/29/72/1440562972.db2.gz IAPBSQRIIXWCLQ-RBUKOAKNSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC1=CCCCC1 ZINC001754314061 1440574505 /nfs/dbraw/zinc/57/45/05/1440574505.db2.gz JRQRNFNFAZJIIO-MJGOQNOKSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC1=CCCCC1 ZINC001754314061 1440574506 /nfs/dbraw/zinc/57/45/06/1440574506.db2.gz JRQRNFNFAZJIIO-MJGOQNOKSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1=CCCCC1 ZINC001754314061 1440574507 /nfs/dbraw/zinc/57/45/07/1440574507.db2.gz JRQRNFNFAZJIIO-MJGOQNOKSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001754324246 1440579829 /nfs/dbraw/zinc/57/98/29/1440579829.db2.gz QWTPASSPPIHROV-PKOBYXMFSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001754324246 1440579830 /nfs/dbraw/zinc/57/98/30/1440579830.db2.gz QWTPASSPPIHROV-PKOBYXMFSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001754324246 1440579831 /nfs/dbraw/zinc/57/98/31/1440579831.db2.gz QWTPASSPPIHROV-PKOBYXMFSA-N 2 1 335.536 3.186 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H](C)C[NH+](C)CC=C(C)C)c1ccccc1 ZINC001754330395 1440583412 /nfs/dbraw/zinc/58/34/12/1440583412.db2.gz KWTPOKJIHKTRCU-IEBWSBKVSA-N 2 1 331.504 3.082 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC=C(C)C)c1ccccc1 ZINC001754330395 1440583413 /nfs/dbraw/zinc/58/34/13/1440583413.db2.gz KWTPOKJIHKTRCU-IEBWSBKVSA-N 2 1 331.504 3.082 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC=C(C)C)c1ccccc1 ZINC001754330395 1440583414 /nfs/dbraw/zinc/58/34/14/1440583414.db2.gz KWTPOKJIHKTRCU-IEBWSBKVSA-N 2 1 331.504 3.082 20 0 EGADMP C[C@H](C(=O)NC[C@@H]1CC[N@H+]1CCC1=CCCCC1)[NH+]1CCCCCC1 ZINC001754495157 1440611736 /nfs/dbraw/zinc/61/17/36/1440611736.db2.gz GITUGYVWIVNRGC-QUCCMNQESA-N 2 1 347.547 3.332 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@@H](C)c1cc(C)ccc1C ZINC001754499773 1440613835 /nfs/dbraw/zinc/61/38/35/1440613835.db2.gz DPUUIGJMBQGSED-OALUTQOASA-N 2 1 345.531 3.287 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)c1cc(C)ccc1C ZINC001754499773 1440613836 /nfs/dbraw/zinc/61/38/36/1440613836.db2.gz DPUUIGJMBQGSED-OALUTQOASA-N 2 1 345.531 3.287 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)c1cc(C)ccc1C ZINC001754499773 1440613837 /nfs/dbraw/zinc/61/38/37/1440613837.db2.gz DPUUIGJMBQGSED-OALUTQOASA-N 2 1 345.531 3.287 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001754535793 1440624249 /nfs/dbraw/zinc/62/42/49/1440624249.db2.gz NGZBLFPHGFCAAH-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001754535793 1440624250 /nfs/dbraw/zinc/62/42/50/1440624250.db2.gz NGZBLFPHGFCAAH-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001754535793 1440624251 /nfs/dbraw/zinc/62/42/51/1440624251.db2.gz NGZBLFPHGFCAAH-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001754537895 1440625274 /nfs/dbraw/zinc/62/52/74/1440625274.db2.gz FYOFDGFCKKIGAC-PXDRNWIDSA-N 2 1 349.563 3.243 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001754537895 1440625275 /nfs/dbraw/zinc/62/52/75/1440625275.db2.gz FYOFDGFCKKIGAC-PXDRNWIDSA-N 2 1 349.563 3.243 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001754537895 1440625276 /nfs/dbraw/zinc/62/52/76/1440625276.db2.gz FYOFDGFCKKIGAC-PXDRNWIDSA-N 2 1 349.563 3.243 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001754568957 1440636814 /nfs/dbraw/zinc/63/68/14/1440636814.db2.gz IJNGGCBAKZUMQW-YOXWTLATSA-N 2 1 347.547 3.143 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C[C@H]1C ZINC001754604878 1440643071 /nfs/dbraw/zinc/64/30/71/1440643071.db2.gz SHFNNYYHXSTOBE-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001754626887 1440646474 /nfs/dbraw/zinc/64/64/74/1440646474.db2.gz RMBUKMHNERWHIS-KRWDZBQOSA-N 2 1 343.515 3.203 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC1(C)CC[NH+](CC2CCCC2)CC1 ZINC001754630647 1440647651 /nfs/dbraw/zinc/64/76/51/1440647651.db2.gz KKUSXGAEWOWFQQ-UHFFFAOYSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC1CC1)C1CCCC1 ZINC001754654763 1440653064 /nfs/dbraw/zinc/65/30/64/1440653064.db2.gz JWFMUBRYHVIVQI-VQTJNVASSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CC3=CCCCC3)C2)CC[N@H+]1C ZINC001754703716 1440668444 /nfs/dbraw/zinc/66/84/44/1440668444.db2.gz TTYBIPAONVSLST-HFSMHLIXSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001754728347 1440677559 /nfs/dbraw/zinc/67/75/59/1440677559.db2.gz UAOAFKKHRLTOIV-IAWJQODMSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001754728347 1440677560 /nfs/dbraw/zinc/67/75/60/1440677560.db2.gz UAOAFKKHRLTOIV-IAWJQODMSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001754728347 1440677561 /nfs/dbraw/zinc/67/75/61/1440677561.db2.gz UAOAFKKHRLTOIV-IAWJQODMSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CC=C(C)C)C1)[NH+](CC)CC ZINC001754730250 1440678669 /nfs/dbraw/zinc/67/86/69/1440678669.db2.gz DKSPZBWYVLKRIM-UYAOXDASSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001754961693 1440717732 /nfs/dbraw/zinc/71/77/32/1440717732.db2.gz CRJMQGDXCYDWCO-SFFCAUCYSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCC1 ZINC001754982614 1440721694 /nfs/dbraw/zinc/72/16/94/1440721694.db2.gz XOGPVAJTVMDRNZ-SFHVURJKSA-N 2 1 335.536 3.068 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001755024785 1440728073 /nfs/dbraw/zinc/72/80/73/1440728073.db2.gz IPXGPZMYTNUCSJ-JCMVTEASSA-N 2 1 337.552 3.290 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC001755028351 1440730111 /nfs/dbraw/zinc/73/01/11/1440730111.db2.gz MGVGURGJCKHTSV-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001755045555 1440740603 /nfs/dbraw/zinc/74/06/03/1440740603.db2.gz ZQSDOOJNVDUXHD-HKUYNNGSSA-N 2 1 349.494 3.009 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001755045555 1440740604 /nfs/dbraw/zinc/74/06/04/1440740604.db2.gz ZQSDOOJNVDUXHD-HKUYNNGSSA-N 2 1 349.494 3.009 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001755045555 1440740605 /nfs/dbraw/zinc/74/06/05/1440740605.db2.gz ZQSDOOJNVDUXHD-HKUYNNGSSA-N 2 1 349.494 3.009 20 0 EGADMP CC(C)CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001755046002 1440740956 /nfs/dbraw/zinc/74/09/56/1440740956.db2.gz QEWROTQUOJLPDI-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001755046002 1440740957 /nfs/dbraw/zinc/74/09/57/1440740957.db2.gz QEWROTQUOJLPDI-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001755046002 1440740958 /nfs/dbraw/zinc/74/09/58/1440740958.db2.gz QEWROTQUOJLPDI-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]C/C=C/Cl)C1)c1ccccc1 ZINC001755102693 1440753618 /nfs/dbraw/zinc/75/36/18/1440753618.db2.gz UPPSNDLULGPQPW-YJZJKARDSA-N 2 1 349.906 3.013 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001755142571 1440761338 /nfs/dbraw/zinc/76/13/38/1440761338.db2.gz BOUXPXPIYNWXOI-IPLHWJFFSA-N 2 1 335.536 3.045 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001755161976 1440764960 /nfs/dbraw/zinc/76/49/60/1440764960.db2.gz OVMJRVAPNGLKCL-WLMAVBAVSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H](C)C[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001755183971 1440772255 /nfs/dbraw/zinc/77/22/55/1440772255.db2.gz VCCYZOHHVVHFRV-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C)C[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001755183971 1440772256 /nfs/dbraw/zinc/77/22/56/1440772256.db2.gz VCCYZOHHVVHFRV-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C)C[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001755183971 1440772257 /nfs/dbraw/zinc/77/22/57/1440772257.db2.gz VCCYZOHHVVHFRV-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@H]1C[N@@H+](C)CCC(C)(C)C ZINC001755195322 1440776637 /nfs/dbraw/zinc/77/66/37/1440776637.db2.gz NLZZIGPTKAYDGD-DLBZAZTESA-N 2 1 343.531 3.025 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[N@@H+](C)CCC1=CCCCC1 ZINC001755198178 1440777887 /nfs/dbraw/zinc/77/78/87/1440777887.db2.gz VQQIRWWIYJIYBO-IBGZPJMESA-N 2 1 335.536 3.142 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001755201053 1440779639 /nfs/dbraw/zinc/77/96/39/1440779639.db2.gz OYXKTEHJPXROSJ-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC1CCCC1 ZINC001755255217 1440792995 /nfs/dbraw/zinc/79/29/95/1440792995.db2.gz DQEFJXWLPIICJL-CVEARBPZSA-N 2 1 334.508 3.070 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC001755264278 1440795600 /nfs/dbraw/zinc/79/56/00/1440795600.db2.gz TWCWYIDWOXANBV-HUUCEWRRSA-N 2 1 347.528 3.226 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)C1CCC([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001755276818 1440799411 /nfs/dbraw/zinc/79/94/11/1440799411.db2.gz XHVKEEYIQAIJJB-IVMQYODDSA-N 2 1 348.535 3.233 20 0 EGADMP Cc1c(C(=O)NC[C@@H](C)[N@@H+](C)CC2CC(C)(C)C2)ccc2c[nH+]cn21 ZINC001755305988 1440811013 /nfs/dbraw/zinc/81/10/13/1440811013.db2.gz ANNGELCQPBLCNQ-CQSZACIVSA-N 2 1 342.487 3.129 20 0 EGADMP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@@H+](C)CCC(C)(C)C ZINC001755319568 1440817813 /nfs/dbraw/zinc/81/78/13/1440817813.db2.gz JAXKKXORONEMEY-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[N@H+](C)CC1CC2(CCC2)C1 ZINC001755320173 1440818168 /nfs/dbraw/zinc/81/81/68/1440818168.db2.gz OHWOQWVUWGNFDE-INIZCTEOSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001755320173 1440818169 /nfs/dbraw/zinc/81/81/69/1440818169.db2.gz OHWOQWVUWGNFDE-INIZCTEOSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCC1=CCCCC1 ZINC001755342992 1440825898 /nfs/dbraw/zinc/82/58/98/1440825898.db2.gz ONSLDHVOXJOJCW-WOJBJXKFSA-N 2 1 349.563 3.291 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCCCC[NH+]2CCC(C)(C)C)C1 ZINC001755367378 1440835505 /nfs/dbraw/zinc/83/55/05/1440835505.db2.gz GPUIHOFDBPXQEE-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CCCCC[N@@H+]2CCC(C)(C)C)C1 ZINC001755367378 1440835506 /nfs/dbraw/zinc/83/55/06/1440835506.db2.gz GPUIHOFDBPXQEE-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CCCCC[N@H+]2CCC(C)(C)C)C1 ZINC001755367378 1440835507 /nfs/dbraw/zinc/83/55/07/1440835507.db2.gz GPUIHOFDBPXQEE-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC001755411347 1440846539 /nfs/dbraw/zinc/84/65/39/1440846539.db2.gz JJOAWYKGXCKDQK-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]Cc2ccccc2C)CC[N@H+]1C ZINC001755499075 1440862420 /nfs/dbraw/zinc/86/24/20/1440862420.db2.gz UHXIUZBQFZXMDW-YSIASYRMSA-N 2 1 345.531 3.100 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2 ZINC001755704115 1440901600 /nfs/dbraw/zinc/90/16/00/1440901600.db2.gz HWVKDSMRYXCTMK-CTNGQTDRSA-N 2 1 347.547 3.166 20 0 EGADMP CCC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001755846037 1440933408 /nfs/dbraw/zinc/93/34/08/1440933408.db2.gz JQWHKZZTELGMRX-DKRLNXSXSA-N 2 1 346.519 3.155 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368532425 168368507 /nfs/dbraw/zinc/36/85/07/168368507.db2.gz YQMRQKGGKAWUAM-WIYYLYMNSA-N 2 1 345.531 3.135 20 0 EGADMP Clc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000055043164 214266588 /nfs/dbraw/zinc/26/65/88/214266588.db2.gz DBJFXKGADBDCRN-UHFFFAOYSA-N 2 1 330.863 3.447 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(F)c(Br)c2)CC[N@H+]1C ZINC000178008964 232056618 /nfs/dbraw/zinc/05/66/18/232056618.db2.gz YSAXEVFKVQBRSQ-WCQYABFASA-N 2 1 329.257 3.203 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000178699949 232389513 /nfs/dbraw/zinc/38/95/13/232389513.db2.gz PWPNRYUFWFNYHH-HUUCEWRRSA-N 2 1 329.444 3.167 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000178856877 232547031 /nfs/dbraw/zinc/54/70/31/232547031.db2.gz WBCRLULMNSPSIN-LBPRGKRZSA-N 2 1 345.397 3.286 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1)C(C)C ZINC000102640248 219217480 /nfs/dbraw/zinc/21/74/80/219217480.db2.gz CYHHVZULBAIKNU-UHFFFAOYSA-N 2 1 345.531 3.379 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2OC(F)F)CC[NH2+]1 ZINC000414946007 309110727 /nfs/dbraw/zinc/11/07/27/309110727.db2.gz JEBCTNMYDVGFSA-GXSJLCMTSA-N 2 1 349.219 3.281 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000103331172 219291999 /nfs/dbraw/zinc/29/19/99/219291999.db2.gz QABBNZMLRSBABA-PWYGHMFVSA-N 2 1 327.516 3.192 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000103331172 219292000 /nfs/dbraw/zinc/29/20/00/219292000.db2.gz QABBNZMLRSBABA-PWYGHMFVSA-N 2 1 327.516 3.192 20 0 EGADMP COc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1OCc1ccccc1 ZINC000072726261 216300809 /nfs/dbraw/zinc/30/08/09/216300809.db2.gz RMSVAWGJZJEZOU-UHFFFAOYSA-N 2 1 340.467 3.458 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)ccc3Br)C[C@@H]21 ZINC000230048894 242225144 /nfs/dbraw/zinc/22/51/44/242225144.db2.gz GZOWVNBQQJGZDD-RIEGTJTDSA-N 2 1 327.241 3.147 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3Br)C[C@@H]21 ZINC000230048894 242225147 /nfs/dbraw/zinc/22/51/47/242225147.db2.gz GZOWVNBQQJGZDD-RIEGTJTDSA-N 2 1 327.241 3.147 20 0 EGADMP Cc1nccn1CCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377337845 169012510 /nfs/dbraw/zinc/01/25/10/169012510.db2.gz QNMJBWDYZYNRPO-RTWAWAEBSA-N 2 1 338.499 3.036 20 0 EGADMP Cc1nccn1CCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377337845 169012512 /nfs/dbraw/zinc/01/25/12/169012512.db2.gz QNMJBWDYZYNRPO-RTWAWAEBSA-N 2 1 338.499 3.036 20 0 EGADMP Cc1nccn1CCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377337845 169012515 /nfs/dbraw/zinc/01/25/15/169012515.db2.gz QNMJBWDYZYNRPO-RTWAWAEBSA-N 2 1 338.499 3.036 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c(C)n2n1 ZINC000091725856 218055255 /nfs/dbraw/zinc/05/52/55/218055255.db2.gz OCMYRIQNLXDRIC-RHSMWYFYSA-N 2 1 331.508 3.363 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)N(C(C)C)C(C)C ZINC000360970208 284730784 /nfs/dbraw/zinc/73/07/84/284730784.db2.gz YSPSEBLXILAEPL-QZTJIDSGSA-N 2 1 325.541 3.122 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000092066777 218114170 /nfs/dbraw/zinc/11/41/70/218114170.db2.gz NEXSCUUAZKXKJS-SJLPKXTDSA-N 2 1 330.472 3.153 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000092066777 218114173 /nfs/dbraw/zinc/11/41/73/218114173.db2.gz NEXSCUUAZKXKJS-SJLPKXTDSA-N 2 1 330.472 3.153 20 0 EGADMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000092066777 218114175 /nfs/dbraw/zinc/11/41/75/218114175.db2.gz NEXSCUUAZKXKJS-SJLPKXTDSA-N 2 1 330.472 3.153 20 0 EGADMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000092066777 218114177 /nfs/dbraw/zinc/11/41/77/218114177.db2.gz NEXSCUUAZKXKJS-SJLPKXTDSA-N 2 1 330.472 3.153 20 0 EGADMP COCCCOc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043699 218109899 /nfs/dbraw/zinc/10/98/99/218109899.db2.gz JHCRLOLHKKPRDM-QUCCMNQESA-N 2 1 332.488 3.018 20 0 EGADMP COCCCOc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000092043699 218109900 /nfs/dbraw/zinc/10/99/00/218109900.db2.gz JHCRLOLHKKPRDM-QUCCMNQESA-N 2 1 332.488 3.018 20 0 EGADMP COCCCOc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000092043699 218109903 /nfs/dbraw/zinc/10/99/03/218109903.db2.gz JHCRLOLHKKPRDM-QUCCMNQESA-N 2 1 332.488 3.018 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc4ccccc4s3)C2)CC1 ZINC000093132788 218196775 /nfs/dbraw/zinc/19/67/75/218196775.db2.gz ODDZVZGVWPDWJE-QGZVFWFLSA-N 2 1 329.513 3.113 20 0 EGADMP COCCOc1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564041 218233435 /nfs/dbraw/zinc/23/34/35/218233435.db2.gz CMRROMDXHZNVDJ-LJQANCHMSA-N 2 1 332.488 3.162 20 0 EGADMP COCCOc1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564041 218233437 /nfs/dbraw/zinc/23/34/37/218233437.db2.gz CMRROMDXHZNVDJ-LJQANCHMSA-N 2 1 332.488 3.162 20 0 EGADMP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597695 218234774 /nfs/dbraw/zinc/23/47/74/218234774.db2.gz XCGKTNQEPJIMMY-OAHLLOKOSA-N 2 1 328.435 3.134 20 0 EGADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597695 218234776 /nfs/dbraw/zinc/23/47/76/218234776.db2.gz XCGKTNQEPJIMMY-OAHLLOKOSA-N 2 1 328.435 3.134 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000093770649 218248747 /nfs/dbraw/zinc/24/87/47/218248747.db2.gz KEIGRHRGAQPSLI-KRWDZBQOSA-N 2 1 326.444 3.043 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000093770649 218248748 /nfs/dbraw/zinc/24/87/48/218248748.db2.gz KEIGRHRGAQPSLI-KRWDZBQOSA-N 2 1 326.444 3.043 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000093770649 218248751 /nfs/dbraw/zinc/24/87/51/218248751.db2.gz KEIGRHRGAQPSLI-KRWDZBQOSA-N 2 1 326.444 3.043 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000093770649 218248753 /nfs/dbraw/zinc/24/87/53/218248753.db2.gz KEIGRHRGAQPSLI-KRWDZBQOSA-N 2 1 326.444 3.043 20 0 EGADMP COc1coc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1=O ZINC000268643252 252095393 /nfs/dbraw/zinc/09/53/93/252095393.db2.gz HXRJRHPIYOQNLO-INIZCTEOSA-N 2 1 348.487 3.125 20 0 EGADMP COc1coc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1=O ZINC000268643252 252095399 /nfs/dbraw/zinc/09/53/99/252095399.db2.gz HXRJRHPIYOQNLO-INIZCTEOSA-N 2 1 348.487 3.125 20 0 EGADMP C[C@H]([NH2+]Cc1cn2ccccc2n1)c1cccc(OCC[NH+](C)C)c1 ZINC000268720475 252170726 /nfs/dbraw/zinc/17/07/26/252170726.db2.gz KQSJFJFHVJXFSY-INIZCTEOSA-N 2 1 338.455 3.126 20 0 EGADMP Cc1n[nH]cc1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268774259 252224208 /nfs/dbraw/zinc/22/42/08/252224208.db2.gz RATBITRIJRDMLB-OXQOHEQNSA-N 2 1 326.488 3.293 20 0 EGADMP Cc1n[nH]cc1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268774259 252224212 /nfs/dbraw/zinc/22/42/12/252224212.db2.gz RATBITRIJRDMLB-OXQOHEQNSA-N 2 1 326.488 3.293 20 0 EGADMP COc1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000178035644 533296610 /nfs/dbraw/zinc/29/66/10/533296610.db2.gz HZRCKXCTKAOASZ-GQIGUUNPSA-N 2 1 332.488 3.162 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000246532249 141013677 /nfs/dbraw/zinc/01/36/77/141013677.db2.gz VLJHIBBRXPZRSU-VYDXJSESSA-N 2 1 328.460 3.160 20 0 EGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(N2CCCC2=O)c1 ZINC000246898747 141042488 /nfs/dbraw/zinc/04/24/88/141042488.db2.gz FDMJBLGVPDFWNE-RYQLBKOJSA-N 2 1 329.488 3.337 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000353026438 141287566 /nfs/dbraw/zinc/28/75/66/141287566.db2.gz KSQMTFRYKHTDCP-RTBURBONSA-N 2 1 340.552 3.262 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000353470957 141304396 /nfs/dbraw/zinc/30/43/96/141304396.db2.gz QZUPTBVAVLXDBG-LZQZEXGQSA-N 2 1 329.488 3.245 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@H]4C4CC4)[C@H]3C2)cc1 ZINC000356825751 141349792 /nfs/dbraw/zinc/34/97/92/141349792.db2.gz AQFIAZWMMYSGGM-FCMAGTKHSA-N 2 1 326.484 3.054 20 0 EGADMP Fc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000356841467 141352244 /nfs/dbraw/zinc/35/22/44/141352244.db2.gz FVROREVJONNJSZ-PWIZWCRZSA-N 2 1 325.431 3.221 20 0 EGADMP Fc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000356841467 141352245 /nfs/dbraw/zinc/35/22/45/141352245.db2.gz FVROREVJONNJSZ-PWIZWCRZSA-N 2 1 325.431 3.221 20 0 EGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)[C@@H]1CCCOC1)c1ccccc1 ZINC000356840563 141352298 /nfs/dbraw/zinc/35/22/98/141352298.db2.gz FQPRVWRSSGTHDI-RLLQIKCJSA-N 2 1 334.504 3.101 20 0 EGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)[C@@H]1CCCOC1)c1ccccc1 ZINC000356840563 141352299 /nfs/dbraw/zinc/35/22/99/141352299.db2.gz FQPRVWRSSGTHDI-RLLQIKCJSA-N 2 1 334.504 3.101 20 0 EGADMP C[NH+](C)CCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000151927460 289118113 /nfs/dbraw/zinc/11/81/13/289118113.db2.gz AISSHUZOXDYSES-AWEZNQCLSA-N 2 1 327.266 3.204 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000163247484 143977922 /nfs/dbraw/zinc/97/79/22/143977922.db2.gz JUCPEWPNGJOLTN-FQEVSTJZSA-N 2 1 327.472 3.305 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000163247484 143977923 /nfs/dbraw/zinc/97/79/23/143977923.db2.gz JUCPEWPNGJOLTN-FQEVSTJZSA-N 2 1 327.472 3.305 20 0 EGADMP Cc1ccccc1CN(C)C(=O)[C@H](C)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000173643253 144045724 /nfs/dbraw/zinc/04/57/24/144045724.db2.gz VQYINFXYAGYYPZ-ICSRJNTNSA-N 2 1 345.531 3.148 20 0 EGADMP CN(Cc1cc(O)cc(F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186223744 144127710 /nfs/dbraw/zinc/12/77/10/144127710.db2.gz ZDOWOCRJXIENKH-QGZVFWFLSA-N 2 1 328.431 3.485 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc(Cl)c1OC ZINC000344663617 144207667 /nfs/dbraw/zinc/20/76/67/144207667.db2.gz HJVXPEIQYAVXLW-TZMCWYRMSA-N 2 1 326.868 3.320 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(Cl)c1OC ZINC000344663617 144207669 /nfs/dbraw/zinc/20/76/69/144207669.db2.gz HJVXPEIQYAVXLW-TZMCWYRMSA-N 2 1 326.868 3.320 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(Cl)c1OC ZINC000344663614 144207888 /nfs/dbraw/zinc/20/78/88/144207888.db2.gz HJVXPEIQYAVXLW-GXTWGEPZSA-N 2 1 326.868 3.320 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Cl)c1OC ZINC000344663614 144207891 /nfs/dbraw/zinc/20/78/91/144207891.db2.gz HJVXPEIQYAVXLW-GXTWGEPZSA-N 2 1 326.868 3.320 20 0 EGADMP C[N@H+](CCCNC(=O)[C@H]1CC[NH+]1Cc1ccccc1)C1CCCCC1 ZINC000344862864 144232654 /nfs/dbraw/zinc/23/26/54/144232654.db2.gz KSHNBTBYADJVDQ-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@@H+](CCCNC(=O)[C@H]1CC[NH+]1Cc1ccccc1)C1CCCCC1 ZINC000344862864 144232655 /nfs/dbraw/zinc/23/26/55/144232655.db2.gz KSHNBTBYADJVDQ-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCCNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)C1CCCCC1 ZINC000344862864 144232656 /nfs/dbraw/zinc/23/26/56/144232656.db2.gz KSHNBTBYADJVDQ-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCCNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)C1CCCCC1 ZINC000344862864 144232657 /nfs/dbraw/zinc/23/26/57/144232657.db2.gz KSHNBTBYADJVDQ-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP COc1sc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1Br ZINC000347032901 144251593 /nfs/dbraw/zinc/25/15/93/144251593.db2.gz BJWUADPDXQPYAV-VIFPVBQESA-N 2 1 333.295 3.078 20 0 EGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351479516 144267209 /nfs/dbraw/zinc/26/72/09/144267209.db2.gz RJTXFENSJLTFBZ-DZGBDDFRSA-N 2 1 332.835 3.120 20 0 EGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351479516 144267210 /nfs/dbraw/zinc/26/72/10/144267210.db2.gz RJTXFENSJLTFBZ-DZGBDDFRSA-N 2 1 332.835 3.120 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000351861472 144317124 /nfs/dbraw/zinc/31/71/24/144317124.db2.gz LPUVFGQYQKKCDC-AAEUAGOBSA-N 2 1 334.261 3.166 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000351861472 144317126 /nfs/dbraw/zinc/31/71/26/144317126.db2.gz LPUVFGQYQKKCDC-AAEUAGOBSA-N 2 1 334.261 3.166 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000677819923 549337367 /nfs/dbraw/zinc/33/73/67/549337367.db2.gz DFMKYBABOYUNFI-PHIMTYICSA-N 2 1 329.288 3.254 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000677819923 549337368 /nfs/dbraw/zinc/33/73/68/549337368.db2.gz DFMKYBABOYUNFI-PHIMTYICSA-N 2 1 329.288 3.254 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000341391984 155265629 /nfs/dbraw/zinc/26/56/29/155265629.db2.gz JWKGDXPQNRAAQM-XLIONFOSSA-N 2 1 343.515 3.203 20 0 EGADMP CSc1ccc(OCC[N@H+]2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000120200612 152258428 /nfs/dbraw/zinc/25/84/28/152258428.db2.gz YBVVOFBWIPZWEA-KRWDZBQOSA-N 2 1 330.453 3.336 20 0 EGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C(F)(F)F)c1 ZINC000192804148 153259780 /nfs/dbraw/zinc/25/97/80/153259780.db2.gz ZOPUCKKXLHNTIE-AGUYFDCRSA-N 2 1 328.378 3.429 20 0 EGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C(F)(F)F)c1 ZINC000192804148 153259782 /nfs/dbraw/zinc/25/97/82/153259782.db2.gz ZOPUCKKXLHNTIE-AGUYFDCRSA-N 2 1 328.378 3.429 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000192923850 153265282 /nfs/dbraw/zinc/26/52/82/153265282.db2.gz IMYZJWADVRBEKI-LJQANCHMSA-N 2 1 338.451 3.070 20 0 EGADMP FC(F)(F)OCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000336655114 154209427 /nfs/dbraw/zinc/20/94/27/154209427.db2.gz FNNLOKXFDBXKDA-BZUAXINKSA-N 2 1 328.378 3.023 20 0 EGADMP COCC[C@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000337528201 154399039 /nfs/dbraw/zinc/39/90/39/154399039.db2.gz SROJDANNOSTURX-MJGOQNOKSA-N 2 1 338.536 3.205 20 0 EGADMP Cc1ccccc1CN1CCN(c2cc[nH+]cc2Br)CC1 ZINC000339974256 155056758 /nfs/dbraw/zinc/05/67/58/155056758.db2.gz VAJMAEMHANFSNW-UHFFFAOYSA-N 2 1 346.272 3.475 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@H]3Cc4ccccc43)CC2)C[C@H](C)O1 ZINC000346851038 156165102 /nfs/dbraw/zinc/16/51/02/156165102.db2.gz QGDDGLSPAIODDP-FUHIMQAGSA-N 2 1 328.500 3.148 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000365629842 157195807 /nfs/dbraw/zinc/19/58/07/157195807.db2.gz NUNFGGWWWJWHJZ-INIZCTEOSA-N 2 1 340.471 3.362 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000365629842 157195812 /nfs/dbraw/zinc/19/58/12/157195812.db2.gz NUNFGGWWWJWHJZ-INIZCTEOSA-N 2 1 340.471 3.362 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377823568 157423255 /nfs/dbraw/zinc/42/32/55/157423255.db2.gz KSKBLMHEUOUAJM-SFHVURJKSA-N 2 1 347.547 3.118 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000093769444 162024962 /nfs/dbraw/zinc/02/49/62/162024962.db2.gz WQMKOQCODRXHSR-UHFFFAOYSA-N 2 1 346.515 3.192 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)cc1OC ZINC000105480777 162055831 /nfs/dbraw/zinc/05/58/31/162055831.db2.gz BYNGCEGMFXDMCT-SWLSCSKDSA-N 2 1 326.868 3.177 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000105480777 162055833 /nfs/dbraw/zinc/05/58/33/162055833.db2.gz BYNGCEGMFXDMCT-SWLSCSKDSA-N 2 1 326.868 3.177 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000105480777 162055834 /nfs/dbraw/zinc/05/58/34/162055834.db2.gz BYNGCEGMFXDMCT-SWLSCSKDSA-N 2 1 326.868 3.177 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH+]1CCCCCC1)c1ccccc1 ZINC000110919240 162137394 /nfs/dbraw/zinc/13/73/94/162137394.db2.gz RSLLRUJQAASJMS-LJQANCHMSA-N 2 1 331.504 3.062 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCCC[NH+]2CC)cc1)C1CC1 ZINC000110993624 162140302 /nfs/dbraw/zinc/14/03/02/162140302.db2.gz OLKLADBBNZKDPY-FQEVSTJZSA-N 2 1 343.515 3.275 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)cc1)C1CC1 ZINC000110993624 162140303 /nfs/dbraw/zinc/14/03/03/162140303.db2.gz OLKLADBBNZKDPY-FQEVSTJZSA-N 2 1 343.515 3.275 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC)cc1)C1CC1 ZINC000110993624 162140308 /nfs/dbraw/zinc/14/03/08/162140308.db2.gz OLKLADBBNZKDPY-FQEVSTJZSA-N 2 1 343.515 3.275 20 0 EGADMP Clc1ccc2cccnc2c1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129387467 162356027 /nfs/dbraw/zinc/35/60/27/162356027.db2.gz ILEPCNGCSQQQTA-OAHLLOKOSA-N 2 1 345.874 3.042 20 0 EGADMP C[C@H](c1cccs1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248396991 163000594 /nfs/dbraw/zinc/00/05/94/163000594.db2.gz KXHLHAXWMRGBLL-NVXWUHKLSA-N 2 1 345.512 3.160 20 0 EGADMP C[C@H](c1cccs1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248396991 163000596 /nfs/dbraw/zinc/00/05/96/163000596.db2.gz KXHLHAXWMRGBLL-NVXWUHKLSA-N 2 1 345.512 3.160 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cccs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248608987 163019689 /nfs/dbraw/zinc/01/96/89/163019689.db2.gz XDHQEPJDWJQSGT-PMPSAXMXSA-N 2 1 349.544 3.168 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cccs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248608987 163019690 /nfs/dbraw/zinc/01/96/90/163019690.db2.gz XDHQEPJDWJQSGT-PMPSAXMXSA-N 2 1 349.544 3.168 20 0 EGADMP CC(C)(C)n1ncnc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000338285314 163206723 /nfs/dbraw/zinc/20/67/23/163206723.db2.gz ZNNPHLNZPKHDQP-UHFFFAOYSA-N 2 1 333.524 3.121 20 0 EGADMP C[N@H+]1CCC[C@H]1CCN[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338327933 163211324 /nfs/dbraw/zinc/21/13/24/163211324.db2.gz PJEOKHDDNKWWDR-PMACEKPBSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+]1CCC[C@H]1CCN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338327933 163211326 /nfs/dbraw/zinc/21/13/26/163211326.db2.gz PJEOKHDDNKWWDR-PMACEKPBSA-N 3 1 329.532 3.361 20 0 EGADMP C[NH+]1CCC[C@H]1CCN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338327933 163211328 /nfs/dbraw/zinc/21/13/28/163211328.db2.gz PJEOKHDDNKWWDR-PMACEKPBSA-N 3 1 329.532 3.361 20 0 EGADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000338327933 163211329 /nfs/dbraw/zinc/21/13/29/163211329.db2.gz PJEOKHDDNKWWDR-PMACEKPBSA-N 3 1 329.532 3.361 20 0 EGADMP CC(C)(C)[C@@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000343685421 164011663 /nfs/dbraw/zinc/01/16/63/164011663.db2.gz HWCGVMVVWUCDNH-IBGZPJMESA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3Cl)CCN1C1CC[NH+](C)CC1 ZINC000343714089 164018784 /nfs/dbraw/zinc/01/87/84/164018784.db2.gz POOQDTDJVMZCNM-QRWLVFNGSA-N 2 1 347.934 3.428 20 0 EGADMP CC[C@@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)[NH+](CC)CC ZINC000343865082 164052681 /nfs/dbraw/zinc/05/26/81/164052681.db2.gz PTIJADXOIOZGHD-INIZCTEOSA-N 2 1 325.884 3.461 20 0 EGADMP CCc1cnc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000346117068 164340374 /nfs/dbraw/zinc/34/03/74/164340374.db2.gz ARHUHGCFEIAATL-HUUCEWRRSA-N 2 1 337.533 3.027 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](OC)c2ccccc2Cl)CC1 ZINC000354972102 166076627 /nfs/dbraw/zinc/07/66/27/166076627.db2.gz UJBKCKSUIBJSQI-KBXCAEBGSA-N 2 1 340.895 3.116 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000352051538 165211743 /nfs/dbraw/zinc/21/17/43/165211743.db2.gz CMXXUCNAWMVDPO-SXLOBPIMSA-N 2 1 345.531 3.322 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352145582 165258739 /nfs/dbraw/zinc/25/87/39/165258739.db2.gz BBMWTCDWHBLZAM-FGTMMUONSA-N 2 1 325.541 3.027 20 0 EGADMP CCC1(Cc2ccccc2)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000352365748 165365736 /nfs/dbraw/zinc/36/57/36/165365736.db2.gz WJGQCFLSKPXOIH-HXUWFJFHSA-N 2 1 330.516 3.176 20 0 EGADMP CCC1(Cc2ccccc2)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000352365748 165365739 /nfs/dbraw/zinc/36/57/39/165365739.db2.gz WJGQCFLSKPXOIH-HXUWFJFHSA-N 2 1 330.516 3.176 20 0 EGADMP CCC[N@@H+](CC)CCNC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000353953016 165929833 /nfs/dbraw/zinc/92/98/33/165929833.db2.gz XLCNNPGTDIKFCD-IEBWSBKVSA-N 2 1 348.535 3.017 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000355210317 166134823 /nfs/dbraw/zinc/13/48/23/166134823.db2.gz BJDMMGWZQISBCT-LMCOJAPRSA-N 2 1 344.499 3.076 20 0 EGADMP CC(C)Oc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000355218419 166137551 /nfs/dbraw/zinc/13/75/51/166137551.db2.gz IMNGMDXHDZUJES-QWFCFKBJSA-N 2 1 332.488 3.157 20 0 EGADMP CC(C)Oc1ccccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000355218419 166137555 /nfs/dbraw/zinc/13/75/55/166137555.db2.gz IMNGMDXHDZUJES-QWFCFKBJSA-N 2 1 332.488 3.157 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CC=C(C)CC2)cc1)C(C)C ZINC000355311513 166161092 /nfs/dbraw/zinc/16/10/92/166161092.db2.gz GBHXCFSODNNSJH-UHFFFAOYSA-N 2 1 343.515 3.299 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+]2CC=C(C)CC2)cc1)C(C)C ZINC000355311513 166161096 /nfs/dbraw/zinc/16/10/96/166161096.db2.gz GBHXCFSODNNSJH-UHFFFAOYSA-N 2 1 343.515 3.299 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+]2CC=C(C)CC2)cc1)C(C)C ZINC000355311513 166161098 /nfs/dbraw/zinc/16/10/98/166161098.db2.gz GBHXCFSODNNSJH-UHFFFAOYSA-N 2 1 343.515 3.299 20 0 EGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000355408026 166186675 /nfs/dbraw/zinc/18/66/75/166186675.db2.gz DVPBGPFFZUIAHY-CALCHBBNSA-N 2 1 331.504 3.017 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000355410785 166189551 /nfs/dbraw/zinc/18/95/51/166189551.db2.gz LCZUIPFULLGWLW-HOTGVXAUSA-N 2 1 347.528 3.047 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(OC)CCC(C)CC2)[C@H](C)C1 ZINC000359024421 167041755 /nfs/dbraw/zinc/04/17/55/167041755.db2.gz DPRVBSFKAYVSAL-KAXARAQCSA-N 2 1 340.552 3.308 20 0 EGADMP CCc1cccnc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000359228175 167101053 /nfs/dbraw/zinc/10/10/53/167101053.db2.gz HCPULVPBIDMBKB-JXFKEZNVSA-N 2 1 339.483 3.061 20 0 EGADMP COc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)c(SC)cc1OC ZINC000359226551 167101261 /nfs/dbraw/zinc/10/12/61/167101261.db2.gz WBSSFGGNZHJYGJ-UHFFFAOYSA-N 2 1 338.517 3.247 20 0 EGADMP CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(C[N@@H+](CC)CCC)cc1 ZINC000359233164 167102092 /nfs/dbraw/zinc/10/20/92/167102092.db2.gz JUCDXRBCSVAXEK-IBGZPJMESA-N 2 1 331.504 3.133 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000360087899 167264270 /nfs/dbraw/zinc/26/42/70/167264270.db2.gz JTZIQVODQGFJSV-HUUCEWRRSA-N 2 1 344.425 3.413 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000360087899 167264275 /nfs/dbraw/zinc/26/42/75/167264275.db2.gz JTZIQVODQGFJSV-HUUCEWRRSA-N 2 1 344.425 3.413 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000360087899 167264278 /nfs/dbraw/zinc/26/42/78/167264278.db2.gz JTZIQVODQGFJSV-HUUCEWRRSA-N 2 1 344.425 3.413 20 0 EGADMP COc1ccc(Oc2cc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)ccn2)cc1 ZINC000360434182 167327514 /nfs/dbraw/zinc/32/75/14/167327514.db2.gz UADSVWQZKPYAEU-HNAYVOBHSA-N 2 1 341.455 3.312 20 0 EGADMP COc1ccc(Oc2cc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)ccn2)cc1 ZINC000360434182 167327517 /nfs/dbraw/zinc/32/75/17/167327517.db2.gz UADSVWQZKPYAEU-HNAYVOBHSA-N 2 1 341.455 3.312 20 0 EGADMP C[C@@H]1CCC[C@@](C[NH2+]C2CCN(c3nccs3)CC2)([NH+](C)C)C1 ZINC000360715441 167394947 /nfs/dbraw/zinc/39/49/47/167394947.db2.gz GXRLZKVBTYOTDY-CRAIPNDOSA-N 2 1 336.549 3.212 20 0 EGADMP C[C@H](CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000365792280 168043892 /nfs/dbraw/zinc/04/38/92/168043892.db2.gz BLSXPSSEEUZWJR-SBHAEUEKSA-N 2 1 329.532 3.138 20 0 EGADMP CC(C)c1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)nc(C(C)C)n1 ZINC000367733288 168264583 /nfs/dbraw/zinc/26/45/83/168264583.db2.gz GZJMXHRBROWNBU-CVEARBPZSA-N 2 1 332.492 3.023 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ccc2c(c1)ncn2C ZINC000367952968 168288126 /nfs/dbraw/zinc/28/81/26/168288126.db2.gz XJQNTUBSNRJAEY-MAUKXSAKSA-N 2 1 335.455 3.291 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000367952968 168288130 /nfs/dbraw/zinc/28/81/30/168288130.db2.gz XJQNTUBSNRJAEY-MAUKXSAKSA-N 2 1 335.455 3.291 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000262304136 287355356 /nfs/dbraw/zinc/35/53/56/287355356.db2.gz QYWNGIRARDUGMZ-UXPWSPDFSA-N 2 1 343.515 3.052 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000168246813 226209300 /nfs/dbraw/zinc/20/93/00/226209300.db2.gz YBKZMDSHLAYANT-NSHDSACASA-N 2 1 327.350 3.358 20 0 EGADMP CC[N@@H+](CCC(=O)OC(C)(C)C)CC1CCN(c2ccccn2)CC1 ZINC000174390693 265046185 /nfs/dbraw/zinc/04/61/85/265046185.db2.gz FQCMJJBPELZTKZ-UHFFFAOYSA-N 2 1 347.503 3.352 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000177354581 265248927 /nfs/dbraw/zinc/24/89/27/265248927.db2.gz KBRGWBJALUQWQW-CRAIPNDOSA-N 2 1 349.906 3.109 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178634903 265331070 /nfs/dbraw/zinc/33/10/70/265331070.db2.gz BDGLXVHAJOKMPP-OPYAIIAOSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178634903 265331071 /nfs/dbraw/zinc/33/10/71/265331071.db2.gz BDGLXVHAJOKMPP-OPYAIIAOSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@H](CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[N@@H+](C)Cc1ccccc1 ZINC000194066363 266088511 /nfs/dbraw/zinc/08/85/11/266088511.db2.gz GRUXTGRPSZKFPS-RSPOEFSDSA-N 2 1 328.500 3.444 20 0 EGADMP c1cc(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCC2 ZINC000269677874 266339532 /nfs/dbraw/zinc/33/95/32/266339532.db2.gz SMBQMVLPJSZBLV-ICSRJNTNSA-N 2 1 326.484 3.113 20 0 EGADMP c1cc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc2c1OCC2 ZINC000269677874 266339538 /nfs/dbraw/zinc/33/95/38/266339538.db2.gz SMBQMVLPJSZBLV-ICSRJNTNSA-N 2 1 326.484 3.113 20 0 EGADMP c1cc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc2c1OCC2 ZINC000269677874 266339541 /nfs/dbraw/zinc/33/95/41/266339541.db2.gz SMBQMVLPJSZBLV-ICSRJNTNSA-N 2 1 326.484 3.113 20 0 EGADMP Cc1ccsc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272800950 266920033 /nfs/dbraw/zinc/92/00/33/266920033.db2.gz ZQKASVPSIUTGJN-CRAIPNDOSA-N 2 1 330.497 3.474 20 0 EGADMP C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273227803 267001451 /nfs/dbraw/zinc/00/14/51/267001451.db2.gz FHYWDGMRJWPSEW-QFBILLFUSA-N 2 1 328.500 3.407 20 0 EGADMP Cc1ncsc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274807612 267289918 /nfs/dbraw/zinc/28/99/18/267289918.db2.gz HBQZNILIBKTBPK-YJBOKZPZSA-N 2 1 329.513 3.494 20 0 EGADMP Cc1ncsc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274807611 267290077 /nfs/dbraw/zinc/29/00/77/267290077.db2.gz HBQZNILIBKTBPK-QAPCUYQASA-N 2 1 329.513 3.494 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3ccc(F)cc32)CCCO1 ZINC000278530779 268033620 /nfs/dbraw/zinc/03/36/20/268033620.db2.gz NLHUFXABDKYSEL-CRAIPNDOSA-N 2 1 336.451 3.130 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCOc3ccc(F)cc32)CCCO1 ZINC000278530779 268033621 /nfs/dbraw/zinc/03/36/21/268033621.db2.gz NLHUFXABDKYSEL-CRAIPNDOSA-N 2 1 336.451 3.130 20 0 EGADMP Cn1c2ccccc2nc1CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076446450 275151989 /nfs/dbraw/zinc/15/19/89/275151989.db2.gz IBBOUZGBMORTEF-SFHVURJKSA-N 2 1 334.467 3.185 20 0 EGADMP C[NH2+]CCCC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000178726614 275201893 /nfs/dbraw/zinc/20/18/93/275201893.db2.gz WVUHFKORQCVDSL-UHFFFAOYSA-N 2 1 331.504 3.067 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCC[NH+]1CCCC1)CCC2 ZINC000192618810 275224509 /nfs/dbraw/zinc/22/45/09/275224509.db2.gz WEXBSMYAERRPLY-HNNXBMFYSA-N 2 1 334.460 3.218 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1N(C)C ZINC000278721673 275268702 /nfs/dbraw/zinc/26/87/02/275268702.db2.gz VXJDUVHOXHYPHR-CVEARBPZSA-N 2 1 337.483 3.043 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1N(C)C ZINC000278721673 275268703 /nfs/dbraw/zinc/26/87/03/275268703.db2.gz VXJDUVHOXHYPHR-CVEARBPZSA-N 2 1 337.483 3.043 20 0 EGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000278737388 275270251 /nfs/dbraw/zinc/27/02/51/275270251.db2.gz WNXBZYCFSHTVOZ-VQIMIIECSA-N 2 1 332.488 3.163 20 0 EGADMP O[C@@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1F ZINC000278944177 275289966 /nfs/dbraw/zinc/28/99/66/275289966.db2.gz UUTNTLVRDVDEEN-IBGZPJMESA-N 2 1 343.446 3.272 20 0 EGADMP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000279520776 275336916 /nfs/dbraw/zinc/33/69/16/275336916.db2.gz OIXGWOMCSYSWGF-LJQANCHMSA-N 2 1 327.472 3.238 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000279674693 275348998 /nfs/dbraw/zinc/34/89/98/275348998.db2.gz FWYDAKVXVQKGIQ-OAQYLSRUSA-N 2 1 337.467 3.270 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000279674693 275348999 /nfs/dbraw/zinc/34/89/99/275348999.db2.gz FWYDAKVXVQKGIQ-OAQYLSRUSA-N 2 1 337.467 3.270 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000279774302 275358412 /nfs/dbraw/zinc/35/84/12/275358412.db2.gz BQAMWWQFLCQNDZ-HNNXBMFYSA-N 2 1 347.894 3.275 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000279774302 275358413 /nfs/dbraw/zinc/35/84/13/275358413.db2.gz BQAMWWQFLCQNDZ-HNNXBMFYSA-N 2 1 347.894 3.275 20 0 EGADMP C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280040291 275395439 /nfs/dbraw/zinc/39/54/39/275395439.db2.gz ITQJIWOFQZXMSH-HQRMLTQVSA-N 2 1 338.499 3.298 20 0 EGADMP Cc1ccnc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000286002071 275939491 /nfs/dbraw/zinc/93/94/91/275939491.db2.gz ITKKPKCOBFVCEJ-HNNXBMFYSA-N 2 1 325.460 3.116 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000352040497 276044245 /nfs/dbraw/zinc/04/42/45/276044245.db2.gz OWQLEPMZSCASFP-QRQLOZEOSA-N 2 1 331.504 3.105 20 0 EGADMP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000354477121 276060787 /nfs/dbraw/zinc/06/07/87/276060787.db2.gz JQFWABUNLSWHNB-IEBWSBKVSA-N 2 1 331.504 3.011 20 0 EGADMP CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000354477121 276060789 /nfs/dbraw/zinc/06/07/89/276060789.db2.gz JQFWABUNLSWHNB-IEBWSBKVSA-N 2 1 331.504 3.011 20 0 EGADMP CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000354477121 276060790 /nfs/dbraw/zinc/06/07/90/276060790.db2.gz JQFWABUNLSWHNB-IEBWSBKVSA-N 2 1 331.504 3.011 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCc2ncc[nH]2)cc1 ZINC000287121795 276086527 /nfs/dbraw/zinc/08/65/27/276086527.db2.gz KKRLADPQAVQAPG-HNNXBMFYSA-N 2 1 326.444 3.355 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000287318999 276107654 /nfs/dbraw/zinc/10/76/54/276107654.db2.gz DHBDAMRPRGZFBX-JKSUJKDBSA-N 2 1 330.394 3.338 20 0 EGADMP CCN1CC[NH+](CCCC[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367755185 276194757 /nfs/dbraw/zinc/19/47/57/276194757.db2.gz OCZGAMOWPFOANK-LJQANCHMSA-N 2 1 347.551 3.038 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000154509912 276194796 /nfs/dbraw/zinc/19/47/96/276194796.db2.gz NJYXEYWASXLQRC-RBUKOAKNSA-N 2 1 347.547 3.195 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000246838304 276201733 /nfs/dbraw/zinc/20/17/33/276201733.db2.gz VCKDCLBONMALAE-KXBFYZLASA-N 2 1 333.907 3.039 20 0 EGADMP C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289545504 276355913 /nfs/dbraw/zinc/35/59/13/276355913.db2.gz CWMBGDDJNRNAMP-WBMJQRKESA-N 2 1 330.394 3.153 20 0 EGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000289545504 276355915 /nfs/dbraw/zinc/35/59/15/276355915.db2.gz CWMBGDDJNRNAMP-WBMJQRKESA-N 2 1 330.394 3.153 20 0 EGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000289545504 276355919 /nfs/dbraw/zinc/35/59/19/276355919.db2.gz CWMBGDDJNRNAMP-WBMJQRKESA-N 2 1 330.394 3.153 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC[N@H+]1C ZINC000378571047 278028372 /nfs/dbraw/zinc/02/83/72/278028372.db2.gz PJSNPHIYMJUUFR-SGCGGLILSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC000378571047 278028376 /nfs/dbraw/zinc/02/83/76/278028376.db2.gz PJSNPHIYMJUUFR-SGCGGLILSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC000378571047 278028377 /nfs/dbraw/zinc/02/83/77/278028377.db2.gz PJSNPHIYMJUUFR-SGCGGLILSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCN1C ZINC000378571047 278028379 /nfs/dbraw/zinc/02/83/79/278028379.db2.gz PJSNPHIYMJUUFR-SGCGGLILSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCN1C ZINC000378571047 278028380 /nfs/dbraw/zinc/02/83/80/278028380.db2.gz PJSNPHIYMJUUFR-SGCGGLILSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000357106610 278151328 /nfs/dbraw/zinc/15/13/28/278151328.db2.gz DBIXDSNHWIAKIB-MTHXSQLBSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000357106610 278151329 /nfs/dbraw/zinc/15/13/29/278151329.db2.gz DBIXDSNHWIAKIB-MTHXSQLBSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000357106610 278151330 /nfs/dbraw/zinc/15/13/30/278151330.db2.gz DBIXDSNHWIAKIB-MTHXSQLBSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000181536525 278273946 /nfs/dbraw/zinc/27/39/46/278273946.db2.gz PSHDMTSDYCNUKR-NEOGFGCTSA-N 2 1 346.515 3.384 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000181536525 278273947 /nfs/dbraw/zinc/27/39/47/278273947.db2.gz PSHDMTSDYCNUKR-NEOGFGCTSA-N 2 1 346.515 3.384 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000338004105 279235376 /nfs/dbraw/zinc/23/53/76/279235376.db2.gz WXZSINRWOXCOJV-KRWDZBQOSA-N 2 1 343.515 3.275 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000338004105 279235379 /nfs/dbraw/zinc/23/53/79/279235379.db2.gz WXZSINRWOXCOJV-KRWDZBQOSA-N 2 1 343.515 3.275 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000338004105 279235380 /nfs/dbraw/zinc/23/53/80/279235380.db2.gz WXZSINRWOXCOJV-KRWDZBQOSA-N 2 1 343.515 3.275 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC000072959914 290393434 /nfs/dbraw/zinc/39/34/34/290393434.db2.gz AWBKLRYEJCPTBX-KRWDZBQOSA-N 2 1 343.515 3.019 20 0 EGADMP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+]Cc2ccccc21 ZINC000269165907 295449055 /nfs/dbraw/zinc/44/90/55/295449055.db2.gz DHQQEDUVZFTWHV-UHFFFAOYSA-N 2 1 349.478 3.035 20 0 EGADMP C[C@H](C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000359118295 298163306 /nfs/dbraw/zinc/16/33/06/298163306.db2.gz VFPRHYUBDKLTIS-AJYBTWMASA-N 2 1 343.515 3.029 20 0 EGADMP C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000359118295 298163309 /nfs/dbraw/zinc/16/33/09/298163309.db2.gz VFPRHYUBDKLTIS-AJYBTWMASA-N 2 1 343.515 3.029 20 0 EGADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000359118295 298163312 /nfs/dbraw/zinc/16/33/12/298163312.db2.gz VFPRHYUBDKLTIS-AJYBTWMASA-N 2 1 343.515 3.029 20 0 EGADMP CC[C@]1(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000134567993 307690112 /nfs/dbraw/zinc/69/01/12/307690112.db2.gz OKCAVJQSEXGTIC-IEBWSBKVSA-N 2 1 349.906 3.125 20 0 EGADMP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)nnn1-c1ccc(C)cc1 ZINC000414186923 309065609 /nfs/dbraw/zinc/06/56/09/309065609.db2.gz PUKQKJMFFOPAKE-FUHWJXTLSA-N 2 1 341.503 3.267 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248391492 308001696 /nfs/dbraw/zinc/00/16/96/308001696.db2.gz CIBKGZQPYHZGSX-YLJYHZDGSA-N 2 1 339.483 3.099 20 0 EGADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248398016 308001954 /nfs/dbraw/zinc/00/19/54/308001954.db2.gz IOIZHIZSTWXCDS-PLACYPQZSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CCN1C ZINC000249503323 308024846 /nfs/dbraw/zinc/02/48/46/308024846.db2.gz JNTCNGFYCRMXBP-GPMSIDNRSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000249503323 308024848 /nfs/dbraw/zinc/02/48/48/308024848.db2.gz JNTCNGFYCRMXBP-GPMSIDNRSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000249503323 308024849 /nfs/dbraw/zinc/02/48/49/308024849.db2.gz JNTCNGFYCRMXBP-GPMSIDNRSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000249503323 308024851 /nfs/dbraw/zinc/02/48/51/308024851.db2.gz JNTCNGFYCRMXBP-GPMSIDNRSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000249503323 308024853 /nfs/dbraw/zinc/02/48/53/308024853.db2.gz JNTCNGFYCRMXBP-GPMSIDNRSA-N 2 1 339.524 3.048 20 0 EGADMP CCc1ncc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000414446345 309080646 /nfs/dbraw/zinc/08/06/46/309080646.db2.gz YIRKCXQIGYLKCH-OAQYLSRUSA-N 2 1 336.483 3.137 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292872765 308074663 /nfs/dbraw/zinc/07/46/63/308074663.db2.gz WPLABPZBRCCZMH-NRFANRHFSA-N 2 1 329.532 3.172 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292872765 308074665 /nfs/dbraw/zinc/07/46/65/308074665.db2.gz WPLABPZBRCCZMH-NRFANRHFSA-N 2 1 329.532 3.172 20 0 EGADMP CCOc1c(Cl)cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000292893903 308077361 /nfs/dbraw/zinc/07/73/61/308077361.db2.gz ZHAOIVHJRNERCZ-GOSISDBHSA-N 2 1 338.879 3.275 20 0 EGADMP CCc1ccc2c(CN3CC[C@]4(C3)CCC[N@@H+](C)C4)cc(=O)oc2c1 ZINC000292926744 308080758 /nfs/dbraw/zinc/08/07/58/308080758.db2.gz IQCZASQETQSQBL-OAQYLSRUSA-N 2 1 340.467 3.273 20 0 EGADMP CCc1ccc2c(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cc(=O)oc2c1 ZINC000292926744 308080760 /nfs/dbraw/zinc/08/07/60/308080760.db2.gz IQCZASQETQSQBL-OAQYLSRUSA-N 2 1 340.467 3.273 20 0 EGADMP CCc1ccc2c(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cc(=O)oc2c1 ZINC000292926744 308080762 /nfs/dbraw/zinc/08/07/62/308080762.db2.gz IQCZASQETQSQBL-OAQYLSRUSA-N 2 1 340.467 3.273 20 0 EGADMP CCc1ccc2c(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)cc(=O)oc2c1 ZINC000292926744 308080763 /nfs/dbraw/zinc/08/07/63/308080763.db2.gz IQCZASQETQSQBL-OAQYLSRUSA-N 2 1 340.467 3.273 20 0 EGADMP CCc1ccc2c(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)cc(=O)oc2c1 ZINC000292926744 308080765 /nfs/dbraw/zinc/08/07/65/308080765.db2.gz IQCZASQETQSQBL-OAQYLSRUSA-N 2 1 340.467 3.273 20 0 EGADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1OC ZINC000293704837 308154295 /nfs/dbraw/zinc/15/42/95/308154295.db2.gz MIPQXWABKPROQC-LSDHHAIUSA-N 2 1 338.879 3.116 20 0 EGADMP CC(C)[N@@H+](C)CCCN[C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000293759721 308159377 /nfs/dbraw/zinc/15/93/77/308159377.db2.gz OVTUBHKIFPGOOI-MRXNPFEDSA-N 2 1 333.476 3.414 20 0 EGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000293759721 308159379 /nfs/dbraw/zinc/15/93/79/308159379.db2.gz OVTUBHKIFPGOOI-MRXNPFEDSA-N 2 1 333.476 3.414 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000293759721 308159380 /nfs/dbraw/zinc/15/93/80/308159380.db2.gz OVTUBHKIFPGOOI-MRXNPFEDSA-N 2 1 333.476 3.414 20 0 EGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000294692800 308246492 /nfs/dbraw/zinc/24/64/92/308246492.db2.gz ATOOISOERMZTLY-IZVVFDKHSA-N 2 1 332.488 3.411 20 0 EGADMP OC[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000295897498 308372158 /nfs/dbraw/zinc/37/21/58/308372158.db2.gz YUQIWZFHOZWBPK-RTOMLYRKSA-N 2 1 342.527 3.428 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC[NH2+]1 ZINC000414709377 309096582 /nfs/dbraw/zinc/09/65/82/309096582.db2.gz JWBYFZONYRSEIC-JKIFEVAISA-N 2 1 342.405 3.467 20 0 EGADMP Cc1cc(Br)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000414663921 309094326 /nfs/dbraw/zinc/09/43/26/309094326.db2.gz BTQRVJRPJWYHLY-LOWVWBTDSA-N 2 1 329.307 3.378 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1OCc1ccccc1 ZINC000414664379 309094445 /nfs/dbraw/zinc/09/44/45/309094445.db2.gz SSOJTYZOQPSFIJ-APWZRJJASA-N 2 1 340.467 3.443 20 0 EGADMP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1OC(F)F ZINC000414670017 309094691 /nfs/dbraw/zinc/09/46/91/309094691.db2.gz CMQFRSZFAIGVPM-JSGCOSHPSA-N 2 1 328.403 3.117 20 0 EGADMP C[C@H]([N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)C ZINC000414736355 309098036 /nfs/dbraw/zinc/09/80/36/309098036.db2.gz GOHSJJMNYPAYFP-PKOBYXMFSA-N 2 1 345.531 3.121 20 0 EGADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000414738092 309098169 /nfs/dbraw/zinc/09/81/69/309098169.db2.gz OGJYMWKVYWCOKY-XWOWGUDISA-N 2 1 334.463 3.430 20 0 EGADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000414738092 309098170 /nfs/dbraw/zinc/09/81/70/309098170.db2.gz OGJYMWKVYWCOKY-XWOWGUDISA-N 2 1 334.463 3.430 20 0 EGADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772001 309100030 /nfs/dbraw/zinc/10/00/30/309100030.db2.gz BBMCACYQOBHPCD-KBPBESRZSA-N 2 1 332.879 3.048 20 0 EGADMP Brc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414783606 309100734 /nfs/dbraw/zinc/10/07/34/309100734.db2.gz QDJCQQJWDXVZMY-RYUDHWBXSA-N 2 1 329.307 3.332 20 0 EGADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000414798431 309102155 /nfs/dbraw/zinc/10/21/55/309102155.db2.gz QLNXIXIDUNEGKX-LJQANCHMSA-N 2 1 335.455 3.007 20 0 EGADMP CCC([NH3+])(CC)C[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000414809631 309102701 /nfs/dbraw/zinc/10/27/01/309102701.db2.gz VVQIQIRDACPLLY-UHFFFAOYSA-N 2 1 328.504 3.464 20 0 EGADMP CC(C)([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000414808001 309102925 /nfs/dbraw/zinc/10/29/25/309102925.db2.gz RVXGKKLFDDCUFI-UHFFFAOYSA-N 2 1 326.469 3.428 20 0 EGADMP [NH3+][C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000414829180 309104283 /nfs/dbraw/zinc/10/42/83/309104283.db2.gz KIKYZENOZTVNQY-DXBBTUNJSA-N 2 1 335.495 3.187 20 0 EGADMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414855261 309105839 /nfs/dbraw/zinc/10/58/39/309105839.db2.gz WNOTYOCXKCMSEH-OAHLLOKOSA-N 2 1 341.902 3.407 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000414951834 309111078 /nfs/dbraw/zinc/11/10/78/309111078.db2.gz HLDZOSYLWFJFAI-PIPMEXSNSA-N 2 1 335.495 3.299 20 0 EGADMP COC[C@@]1(C[NH2+][C@@H](C)Cc2c(Cl)cccc2Cl)CCC[NH2+]1 ZINC000414961349 309111579 /nfs/dbraw/zinc/11/15/79/309111579.db2.gz VEBPECNGTPVFNC-LRDDRELGSA-N 2 1 331.287 3.283 20 0 EGADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(Oc2cc(OC)cc(OC)c2)cc1 ZINC000414973100 309112342 /nfs/dbraw/zinc/11/23/42/309112342.db2.gz BSAZJALCRABDBQ-HNNXBMFYSA-N 2 1 330.428 3.323 20 0 EGADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415035903 309115738 /nfs/dbraw/zinc/11/57/38/309115738.db2.gz LIZRIXMIQQZFIG-XVAYZXCPSA-N 2 1 344.462 3.155 20 0 EGADMP c1cc(OC[C@@H]2CCCO2)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415057067 309117030 /nfs/dbraw/zinc/11/70/30/309117030.db2.gz TTZHQLOCMMUJHA-SESVDKBCSA-N 2 1 344.499 3.208 20 0 EGADMP [NH3+]C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C1CCCC1 ZINC000415063958 309117793 /nfs/dbraw/zinc/11/77/93/309117793.db2.gz JJSNHCRYSGRLIW-SFHVURJKSA-N 2 1 349.906 3.052 20 0 EGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)C1CCCC1 ZINC000415070349 309118215 /nfs/dbraw/zinc/11/82/15/309118215.db2.gz USDGFABFGKEALQ-FQEVSTJZSA-N 2 1 325.456 3.268 20 0 EGADMP COc1ccc(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1F ZINC000415079392 309118934 /nfs/dbraw/zinc/11/89/34/309118934.db2.gz KAULOTDOWFKGKM-IEBWSBKVSA-N 2 1 328.431 3.460 20 0 EGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC000415098958 309120106 /nfs/dbraw/zinc/12/01/06/309120106.db2.gz GEPGLTCKEWVLJJ-NSHGMRRFSA-N 2 1 338.451 3.082 20 0 EGADMP [NH3+]C1(CNCc2cc(F)cc(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415124449 309122127 /nfs/dbraw/zinc/12/21/27/309122127.db2.gz CFIPWTNWFHSWAC-UHFFFAOYSA-N 2 1 345.437 3.048 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)C[C@H]1C[NH3+] ZINC000415134329 309123130 /nfs/dbraw/zinc/12/31/30/309123130.db2.gz VZULSYCTWBBZDF-UONOGXRCSA-N 2 1 332.879 3.157 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)C[C@H]1C[NH3+] ZINC000415134329 309123131 /nfs/dbraw/zinc/12/31/31/309123131.db2.gz VZULSYCTWBBZDF-UONOGXRCSA-N 2 1 332.879 3.157 20 0 EGADMP CCCCOc1ccccc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415136538 309123228 /nfs/dbraw/zinc/12/32/28/309123228.db2.gz HUZNAHLYEMVVBP-MOPGFXCFSA-N 2 1 344.499 3.066 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000415904975 309147397 /nfs/dbraw/zinc/14/73/97/309147397.db2.gz HIGXTKKPQSURMA-MAUKXSAKSA-N 2 1 332.492 3.133 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000415928836 309149239 /nfs/dbraw/zinc/14/92/39/309149239.db2.gz GDFYGPZPGFYJRD-CVEARBPZSA-N 2 1 332.492 3.038 20 0 EGADMP CCC[N@@H+](CC)CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415950516 309150890 /nfs/dbraw/zinc/15/08/90/309150890.db2.gz DPPOWHFRLNYGEC-UHFFFAOYSA-N 2 1 346.397 3.018 20 0 EGADMP Cc1cc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n(C)n1 ZINC000417784325 309221980 /nfs/dbraw/zinc/22/19/80/309221980.db2.gz CEXJBXHTSNBFLF-IEBWSBKVSA-N 2 1 326.488 3.213 20 0 EGADMP CCn1cncc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000417936709 309228881 /nfs/dbraw/zinc/22/88/81/309228881.db2.gz GDSVDZMCKXKIOM-UHFFFAOYSA-N 2 1 338.455 3.418 20 0 EGADMP C[C@](C[NH3+])([NH2+]Cc1ccc(Br)c2cccnc12)C1CC1 ZINC000420287254 309279517 /nfs/dbraw/zinc/27/95/17/309279517.db2.gz HSKWWFTTWRVURB-MRXNPFEDSA-N 2 1 334.261 3.214 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)CCC2)c1 ZINC000420292911 309279655 /nfs/dbraw/zinc/27/96/55/309279655.db2.gz QHKLCKNUBOPHTJ-PKOBYXMFSA-N 2 1 346.515 3.441 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CCOc2ccccc2C)cc1 ZINC000420302329 309280338 /nfs/dbraw/zinc/28/03/38/309280338.db2.gz JQKCMIYZGKPAEX-GOSISDBHSA-N 2 1 328.456 3.057 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@@H]1c1ccccc1 ZINC000420302503 309280488 /nfs/dbraw/zinc/28/04/88/309280488.db2.gz MKCBAKRCRUFOEE-MNAPGUCWSA-N 2 1 338.495 3.043 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420304309 309280794 /nfs/dbraw/zinc/28/07/94/309280794.db2.gz IOEJVPXNYBHJDQ-UKRRQHHQSA-N 2 1 330.863 3.275 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000420310022 309281009 /nfs/dbraw/zinc/28/10/09/309281009.db2.gz USIARKKIPSAWLZ-OALUTQOASA-N 2 1 340.467 3.236 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CC[C@@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314548 309281454 /nfs/dbraw/zinc/28/14/54/309281454.db2.gz KIVBSZMDTWYTCN-UNMCSNQZSA-N 3 1 341.543 3.364 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CC[C@@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314548 309281455 /nfs/dbraw/zinc/28/14/55/309281455.db2.gz KIVBSZMDTWYTCN-UNMCSNQZSA-N 3 1 341.543 3.364 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CC[C@@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314548 309281456 /nfs/dbraw/zinc/28/14/56/309281456.db2.gz KIVBSZMDTWYTCN-UNMCSNQZSA-N 3 1 341.543 3.364 20 0 EGADMP c1ccc(CN2CCC[C@@]3(CC[N@@H+](CC[C@@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314548 309281457 /nfs/dbraw/zinc/28/14/57/309281457.db2.gz KIVBSZMDTWYTCN-UNMCSNQZSA-N 2 1 341.543 3.364 20 0 EGADMP c1ccc(CN2CCC[C@@]3(CC[N@H+](CC[C@@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314548 309281458 /nfs/dbraw/zinc/28/14/58/309281458.db2.gz KIVBSZMDTWYTCN-UNMCSNQZSA-N 2 1 341.543 3.364 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420319834 309281800 /nfs/dbraw/zinc/28/18/00/309281800.db2.gz AOXWBYXGWWXYEI-IRXDYDNUSA-N 2 1 341.455 3.172 20 0 EGADMP COc1cccc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000420323422 309282469 /nfs/dbraw/zinc/28/24/69/309282469.db2.gz UGCZVZPRTIBEGG-FXAWDEMLSA-N 2 1 332.488 3.066 20 0 EGADMP Clc1ccc(-n2ccc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420337782 309283120 /nfs/dbraw/zinc/28/31/20/309283120.db2.gz XAUSOSMDAQGROE-JKSUJKDBSA-N 2 1 344.890 3.347 20 0 EGADMP Clc1cccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420345334 309283441 /nfs/dbraw/zinc/28/34/41/309283441.db2.gz VWJWWJOJZBZSJE-GJZGRUSLSA-N 2 1 346.862 3.212 20 0 EGADMP CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420344931 309283488 /nfs/dbraw/zinc/28/34/88/309283488.db2.gz VAZNIAFEJYRDOX-QZTJIDSGSA-N 2 1 329.488 3.070 20 0 EGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cc(Br)cc2cccnc21 ZINC000420366496 309284572 /nfs/dbraw/zinc/28/45/72/309284572.db2.gz RGFRPXOAIKVHBJ-CQSZACIVSA-N 2 1 336.277 3.460 20 0 EGADMP [NH3+]C[C@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)C1CCCCC1 ZINC000420380622 309285259 /nfs/dbraw/zinc/28/52/59/309285259.db2.gz YKECCSMRLWTLPT-INIZCTEOSA-N 2 1 341.858 3.305 20 0 EGADMP Cc1ccc(C(C)(C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cn1 ZINC000420914647 309300751 /nfs/dbraw/zinc/30/07/51/309300751.db2.gz CQUOMYGRTAMSOD-UHFFFAOYSA-N 2 1 339.483 3.247 20 0 EGADMP c1cc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)ccc1C[NH+]1CCOCC1 ZINC000420919255 309300960 /nfs/dbraw/zinc/30/09/60/309300960.db2.gz YQTHDSUAMARFDC-VQTJNVASSA-N 2 1 346.540 3.379 20 0 EGADMP c1cc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)ccc1C[NH+]1CCOCC1 ZINC000420919255 309300961 /nfs/dbraw/zinc/30/09/61/309300961.db2.gz YQTHDSUAMARFDC-VQTJNVASSA-N 2 1 346.540 3.379 20 0 EGADMP C[C@H](C[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1)c1nccs1 ZINC000420934498 309302570 /nfs/dbraw/zinc/30/25/70/309302570.db2.gz JBLVIJWDEFAVTH-MRXNPFEDSA-N 2 1 345.512 3.211 20 0 EGADMP C[C@H](C[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1)c1nccs1 ZINC000420934498 309302571 /nfs/dbraw/zinc/30/25/71/309302571.db2.gz JBLVIJWDEFAVTH-MRXNPFEDSA-N 2 1 345.512 3.211 20 0 EGADMP CCS[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420966895 309304958 /nfs/dbraw/zinc/30/49/58/309304958.db2.gz RXWRSQWQCHDAFX-RTBURBONSA-N 2 1 334.529 3.283 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)CCc3ccccc3)CC2)CC1 ZINC000420985618 309306053 /nfs/dbraw/zinc/30/60/53/309306053.db2.gz WMTSFKWVHBDFBE-HXUWFJFHSA-N 2 1 343.559 3.500 20 0 EGADMP OC1(CCC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCC1 ZINC000421374051 309321541 /nfs/dbraw/zinc/32/15/41/309321541.db2.gz NBDDSURFNPWXHJ-VAMGGRTRSA-N 2 1 328.500 3.182 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C[C@H]1C[NH3+] ZINC000422638007 309363169 /nfs/dbraw/zinc/36/31/69/309363169.db2.gz PUDSHODAYNDAEY-UMVBOHGHSA-N 2 1 348.878 3.238 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C[C@@H]1C[NH3+] ZINC000422635969 309363256 /nfs/dbraw/zinc/36/32/56/309363256.db2.gz MGOBCLROCVPKTH-NFAWXSAZSA-N 2 1 348.878 3.238 20 0 EGADMP COc1ccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c(OC)c1OC ZINC000422694699 309363445 /nfs/dbraw/zinc/36/34/45/309363445.db2.gz OHPUPBLZRGXDJX-GOEBONIOSA-N 2 1 336.476 3.113 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(OC)c1OC ZINC000422698294 309363721 /nfs/dbraw/zinc/36/37/21/309363721.db2.gz YNRVEDFGMUWXNJ-YESZJQIVSA-N 2 1 348.487 3.113 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000422709696 309364188 /nfs/dbraw/zinc/36/41/88/309364188.db2.gz ZPSGOCNSFOIUSR-GUYCJALGSA-N 2 1 346.858 3.159 20 0 EGADMP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)N[C@@H]1CCC[NH2+]CC1 ZINC000422725702 309365115 /nfs/dbraw/zinc/36/51/15/309365115.db2.gz CAUMAQNCMWEYDF-WOJBJXKFSA-N 2 1 329.532 3.191 20 0 EGADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)N[C@@H]1CCC[NH2+]CC1 ZINC000422725702 309365116 /nfs/dbraw/zinc/36/51/16/309365116.db2.gz CAUMAQNCMWEYDF-WOJBJXKFSA-N 2 1 329.532 3.191 20 0 EGADMP CC[C@@H](NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422724013 309365151 /nfs/dbraw/zinc/36/51/51/309365151.db2.gz UAWYVMNSORETCB-MOPGFXCFSA-N 2 1 337.458 3.049 20 0 EGADMP c1cc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc(C[NH+]2CCCC2)c1 ZINC000422812274 309369769 /nfs/dbraw/zinc/36/97/69/309369769.db2.gz WCALMHXBEJGNNV-PWRODBHTSA-N 2 1 327.516 3.293 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C(C)C)N1CCC(C)CC1 ZINC000422843944 309371605 /nfs/dbraw/zinc/37/16/05/309371605.db2.gz KEKRLSQUPWBFLO-JXFKEZNVSA-N 2 1 332.536 3.256 20 0 EGADMP C[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000422862971 309372594 /nfs/dbraw/zinc/37/25/94/309372594.db2.gz OIRYLOMQMSVXPX-PLOVASNDSA-N 2 1 343.515 3.095 20 0 EGADMP C[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC000422862971 309372595 /nfs/dbraw/zinc/37/25/95/309372595.db2.gz OIRYLOMQMSVXPX-PLOVASNDSA-N 2 1 343.515 3.095 20 0 EGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000422878565 309373437 /nfs/dbraw/zinc/37/34/37/309373437.db2.gz KHFVMAPPCCRYCM-HNAYVOBHSA-N 3 1 335.923 3.140 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000422878564 309373447 /nfs/dbraw/zinc/37/34/47/309373447.db2.gz KHFVMAPPCCRYCM-DNVCBOLYSA-N 3 1 335.923 3.140 20 0 EGADMP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422900469 309375050 /nfs/dbraw/zinc/37/50/50/309375050.db2.gz JHSDGNOYDFFTOT-IRXDYDNUSA-N 2 1 346.519 3.127 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)CCCC[NH3+])CC2)cs1 ZINC000422910204 309375833 /nfs/dbraw/zinc/37/58/33/309375833.db2.gz HORYDTLFXXLEHE-OAHLLOKOSA-N 3 1 338.565 3.025 20 0 EGADMP CCCCOc1ncccc1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422972911 309378967 /nfs/dbraw/zinc/37/89/67/309378967.db2.gz MXMAAYRDHMZNQB-AWEZNQCLSA-N 2 1 328.460 3.273 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423005988 309380608 /nfs/dbraw/zinc/38/06/08/309380608.db2.gz TZODSXTVGKHUQT-GFOJFJKKSA-N 3 1 329.532 3.394 20 0 EGADMP Clc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000423021868 309381450 /nfs/dbraw/zinc/38/14/50/309381450.db2.gz GJXPPYNBJHALQV-BMGDILEWSA-N 2 1 334.891 3.118 20 0 EGADMP Fc1ccc(CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1F ZINC000423054755 309383407 /nfs/dbraw/zinc/38/34/07/309383407.db2.gz UYNDSCTYYSHMIU-ATZDWAIDSA-N 2 1 338.442 3.034 20 0 EGADMP Fc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)C2)c1 ZINC000423093828 309385575 /nfs/dbraw/zinc/38/55/75/309385575.db2.gz IOOQLRGFMMMBSW-JUSBFGHESA-N 2 1 332.463 3.209 20 0 EGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423094693 309385719 /nfs/dbraw/zinc/38/57/19/309385719.db2.gz KMCZZJUGVZAYOZ-RKOGSIPDSA-N 2 1 341.268 3.422 20 0 EGADMP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423108864 309386261 /nfs/dbraw/zinc/38/62/61/309386261.db2.gz RPMRQQHNSRZNOQ-ATZDWAIDSA-N 2 1 331.479 3.436 20 0 EGADMP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423108865 309386314 /nfs/dbraw/zinc/38/63/14/309386314.db2.gz RPMRQQHNSRZNOQ-AYOQOUSVSA-N 2 1 331.479 3.436 20 0 EGADMP Clc1ccc(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)s1 ZINC000423110171 309386411 /nfs/dbraw/zinc/38/64/11/309386411.db2.gz USGHXBUCUSSQRG-ARFHVFGLSA-N 2 1 342.936 3.471 20 0 EGADMP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423115909 309386618 /nfs/dbraw/zinc/38/66/18/309386618.db2.gz YZQKFARABZGAKC-RCOXNQKVSA-N 2 1 346.515 3.324 20 0 EGADMP CCOCCC[N@H+]1CC[C@H](NCC[NH2+]C2CCCCCC2)[C@H](C)C1 ZINC000423282060 309393913 /nfs/dbraw/zinc/39/39/13/309393913.db2.gz URWRVFFMXFZPDE-QUCCMNQESA-N 2 1 339.568 3.025 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423298154 309394555 /nfs/dbraw/zinc/39/45/55/309394555.db2.gz NITYCNSYPNRMOY-DOTOQJQBSA-N 2 1 330.476 3.167 20 0 EGADMP Cc1c([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000423328425 309395328 /nfs/dbraw/zinc/39/53/28/309395328.db2.gz MEJTXAIWLFGQLX-LIRRHRJNSA-N 2 1 330.451 3.360 20 0 EGADMP CC1CC[NH+](CCC[C@H]([NH2+]CC2C[NH2+]C2)c2ccc(F)cc2)CC1 ZINC000423326732 309395392 /nfs/dbraw/zinc/39/53/92/309395392.db2.gz QXTNDDJOJBWALU-FQEVSTJZSA-N 3 1 333.495 3.188 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2C[C@H](C)CC[NH2+]2)c1 ZINC000423335625 309395690 /nfs/dbraw/zinc/39/56/90/309395690.db2.gz UBAKDUMWHUVGFO-CRAIPNDOSA-N 2 1 340.471 3.381 20 0 EGADMP COc1ccc(C[C@H]([NH2+]C[C@H]([NH3+])C2CC2)c2ccc(OC)cc2)cc1 ZINC000423336532 309396020 /nfs/dbraw/zinc/39/60/20/309396020.db2.gz XTIDCUNGZZCNFB-SFTDATJTSA-N 2 1 340.467 3.315 20 0 EGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423359837 309396917 /nfs/dbraw/zinc/39/69/17/309396917.db2.gz KZDLSTNMDDATLJ-ZMMAXQRCSA-N 2 1 345.531 3.195 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000423407010 309398840 /nfs/dbraw/zinc/39/88/40/309398840.db2.gz LMKXLCDXEPGXBZ-HOTGVXAUSA-N 2 1 331.504 3.337 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(C(F)(F)F)c1 ZINC000423491038 309402671 /nfs/dbraw/zinc/40/26/71/309402671.db2.gz IXXFVCYAYKPCGV-JKSUJKDBSA-N 2 1 330.394 3.371 20 0 EGADMP FC(F)(F)Oc1cccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CC2)c1 ZINC000423492721 309402777 /nfs/dbraw/zinc/40/27/77/309402777.db2.gz OJLFADLDQHNWKW-JKSUJKDBSA-N 2 1 344.377 3.004 20 0 EGADMP C[C@H](c1cc(F)ccc1F)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424297494 309437086 /nfs/dbraw/zinc/43/70/86/309437086.db2.gz SUAGMKCSDUCULI-GFCCVEGCSA-N 2 1 332.398 3.163 20 0 EGADMP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC(C[NH3+])CC1 ZINC000430623591 309613339 /nfs/dbraw/zinc/61/33/39/309613339.db2.gz HLGHJUFKZWCCTK-LBPRGKRZSA-N 2 1 334.851 3.046 20 0 EGADMP C[NH+](C)CCc1ccc(NC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000446969909 309971781 /nfs/dbraw/zinc/97/17/81/309971781.db2.gz SBDIUGGEZVTHOI-UHFFFAOYSA-N 2 1 331.485 3.166 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc4cccnc4o3)CC2)C[C@H](C)O1 ZINC000449015783 310029236 /nfs/dbraw/zinc/02/92/36/310029236.db2.gz CKWHNCCKAPNLON-IYBDPMFKSA-N 2 1 343.471 3.149 20 0 EGADMP C[C@@H](CC(C)(C)C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000449145185 310040187 /nfs/dbraw/zinc/04/01/87/310040187.db2.gz KTSOIHWHPKWGIR-LPHOPBHVSA-N 2 1 345.531 3.298 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc4c(c3)OCCCCO4)C2)CC1 ZINC000449325831 310053505 /nfs/dbraw/zinc/05/35/05/310053505.db2.gz PXCQHXMWMCNCCJ-IBGZPJMESA-N 2 1 344.499 3.402 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCOC4(CCC4)C3)sc2C1 ZINC000449480893 310065530 /nfs/dbraw/zinc/06/55/30/310065530.db2.gz PQXZKSHLBLIQIH-HNNXBMFYSA-N 2 1 349.544 3.349 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCOC4(CCC4)C3)sc2C1 ZINC000449480893 310065531 /nfs/dbraw/zinc/06/55/31/310065531.db2.gz PQXZKSHLBLIQIH-HNNXBMFYSA-N 2 1 349.544 3.349 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CCC[C@H](C)C3)C2)CC1 ZINC000449508985 310068017 /nfs/dbraw/zinc/06/80/17/310068017.db2.gz VTDZSYXUUFMPTP-JBACZVJFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CCC[C@H](C)C3)C2)CC1 ZINC000449508985 310068018 /nfs/dbraw/zinc/06/80/18/310068018.db2.gz VTDZSYXUUFMPTP-JBACZVJFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@H]3CCC[C@H](C)C3)C2)CC1 ZINC000449508985 310068019 /nfs/dbraw/zinc/06/80/19/310068019.db2.gz VTDZSYXUUFMPTP-JBACZVJFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@H]3CCC[C@H](C)C3)C2)CC1 ZINC000449508985 310068020 /nfs/dbraw/zinc/06/80/20/310068020.db2.gz VTDZSYXUUFMPTP-JBACZVJFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000450190670 310107862 /nfs/dbraw/zinc/10/78/62/310107862.db2.gz VIVVSMUOKNLLDE-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000450190670 310107863 /nfs/dbraw/zinc/10/78/63/310107863.db2.gz VIVVSMUOKNLLDE-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CCCC(=O)c2ccc(F)cc2)C1 ZINC000450456830 310123720 /nfs/dbraw/zinc/12/37/20/310123720.db2.gz UNOKZFGHWFMNMY-KRWDZBQOSA-N 2 1 332.463 3.452 20 0 EGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450456830 310123721 /nfs/dbraw/zinc/12/37/21/310123721.db2.gz UNOKZFGHWFMNMY-KRWDZBQOSA-N 2 1 332.463 3.452 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450456830 310123722 /nfs/dbraw/zinc/12/37/22/310123722.db2.gz UNOKZFGHWFMNMY-KRWDZBQOSA-N 2 1 332.463 3.452 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450456830 310123723 /nfs/dbraw/zinc/12/37/23/310123723.db2.gz UNOKZFGHWFMNMY-KRWDZBQOSA-N 2 1 332.463 3.452 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000450456830 310123724 /nfs/dbraw/zinc/12/37/24/310123724.db2.gz UNOKZFGHWFMNMY-KRWDZBQOSA-N 2 1 332.463 3.452 20 0 EGADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000450604630 310132819 /nfs/dbraw/zinc/13/28/19/310132819.db2.gz XBSQPYWZTPGWIL-KRZXBLKESA-N 2 1 328.500 3.100 20 0 EGADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000450604630 310132820 /nfs/dbraw/zinc/13/28/20/310132820.db2.gz XBSQPYWZTPGWIL-KRZXBLKESA-N 2 1 328.500 3.100 20 0 EGADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000450604630 310132821 /nfs/dbraw/zinc/13/28/21/310132821.db2.gz XBSQPYWZTPGWIL-KRZXBLKESA-N 2 1 328.500 3.100 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453077665 310256557 /nfs/dbraw/zinc/25/65/57/310256557.db2.gz BIFZDPFRMNYKAA-ACRUOGEOSA-N 2 1 328.500 3.446 20 0 EGADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1ccccc1 ZINC000453109411 310258575 /nfs/dbraw/zinc/25/85/75/310258575.db2.gz PKXBMAWTDMATFR-YTQUADARSA-N 2 1 342.487 3.188 20 0 EGADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453126237 310259651 /nfs/dbraw/zinc/25/96/51/310259651.db2.gz OSIQVZNMRIYTKJ-HSROGRKHSA-N 2 1 330.516 3.426 20 0 EGADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453184287 310262901 /nfs/dbraw/zinc/26/29/01/310262901.db2.gz UOFSWDDUMRKRCU-WJMWBRGCSA-N 2 1 330.516 3.428 20 0 EGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000453197569 310263604 /nfs/dbraw/zinc/26/36/04/310263604.db2.gz NEVGIHOXPKVPBS-SFTDATJTSA-N 2 1 339.483 3.279 20 0 EGADMP OC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCC1 ZINC000453217841 310264718 /nfs/dbraw/zinc/26/47/18/310264718.db2.gz UWQHAGHNPHYLOF-VAMGGRTRSA-N 2 1 328.500 3.324 20 0 EGADMP FC(F)COCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453224225 310265164 /nfs/dbraw/zinc/26/51/64/310265164.db2.gz PSJBXLRZAKSEQH-KZNAEPCWSA-N 2 1 338.442 3.301 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)[C@@H](C)C1 ZINC000453310622 310270428 /nfs/dbraw/zinc/27/04/28/310270428.db2.gz FTESBLQJGQXSKT-OTWHNJEPSA-N 2 1 338.536 3.062 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)CC3 ZINC000453404765 310275140 /nfs/dbraw/zinc/27/51/40/310275140.db2.gz PTRKBWYYRJDXCT-OAHLLOKOSA-N 2 1 341.499 3.498 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCC3CC(F)(F)C3)sc2C1 ZINC000453586883 310283003 /nfs/dbraw/zinc/28/30/03/310283003.db2.gz JLKCEGCBSFYOAM-UHFFFAOYSA-N 2 1 329.460 3.435 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CCC3CC(F)(F)C3)sc2C1 ZINC000453586883 310283004 /nfs/dbraw/zinc/28/30/04/310283004.db2.gz JLKCEGCBSFYOAM-UHFFFAOYSA-N 2 1 329.460 3.435 20 0 EGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCCC[N@@H+](C)C3CC3)ccc21 ZINC000455846497 310379356 /nfs/dbraw/zinc/37/93/56/310379356.db2.gz INMVSLAYCVYMDV-IBGZPJMESA-N 2 1 344.503 3.231 20 0 EGADMP CC(C)[N@H+]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455949852 310383248 /nfs/dbraw/zinc/38/32/48/310383248.db2.gz ZHBHARNXXZIJOJ-IBGZPJMESA-N 2 1 344.503 3.184 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1C ZINC000482144551 310927002 /nfs/dbraw/zinc/92/70/02/310927002.db2.gz MHKNAMARBCSXLL-MJGOQNOKSA-N 2 1 331.504 3.424 20 0 EGADMP C[C@H](NCC[NH+]1CCC(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492349848 311240913 /nfs/dbraw/zinc/24/09/13/311240913.db2.gz HRDRHWJCGQGNOW-PZJWPPBQSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CCN1CCC(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492349848 311240915 /nfs/dbraw/zinc/24/09/15/311240915.db2.gz HRDRHWJCGQGNOW-PZJWPPBQSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CCN1CCC(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492349848 311240917 /nfs/dbraw/zinc/24/09/17/311240917.db2.gz HRDRHWJCGQGNOW-PZJWPPBQSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(N2CCOC2=O)c1 ZINC000496081878 311658759 /nfs/dbraw/zinc/65/87/59/311658759.db2.gz DHDICFOIWDXNFR-MJXNMMHHSA-N 2 1 337.423 3.439 20 0 EGADMP CCc1cccnc1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000507474289 312074181 /nfs/dbraw/zinc/07/41/81/312074181.db2.gz XDOIJESQBIBECM-INIZCTEOSA-N 2 1 327.472 3.435 20 0 EGADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000510961732 312151878 /nfs/dbraw/zinc/15/18/78/312151878.db2.gz NLPOCLGBVPYVOG-JKSUJKDBSA-N 2 1 340.458 3.376 20 0 EGADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000510961732 312151880 /nfs/dbraw/zinc/15/18/80/312151880.db2.gz NLPOCLGBVPYVOG-JKSUJKDBSA-N 2 1 340.458 3.376 20 0 EGADMP O[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512649841 312191158 /nfs/dbraw/zinc/19/11/58/312191158.db2.gz UYAAOZGSXINMKW-SSSFQFABSA-N 2 1 328.500 3.180 20 0 EGADMP CC[C@H](O)CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512656349 312191726 /nfs/dbraw/zinc/19/17/26/312191726.db2.gz ZGJYQGNZJOMBIE-XSDIEEQYSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000513476583 312211178 /nfs/dbraw/zinc/21/11/78/312211178.db2.gz OBBQYPLGTNNENR-MRXNPFEDSA-N 2 1 349.485 3.361 20 0 EGADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000513499023 312211494 /nfs/dbraw/zinc/21/14/94/312211494.db2.gz DAKGRBVNUCSFJD-SKTWIKFTSA-N 2 1 336.907 3.426 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000513884797 312219245 /nfs/dbraw/zinc/21/92/45/312219245.db2.gz FFQVYRWTVCVQOK-KSZLIROESA-N 2 1 343.506 3.302 20 0 EGADMP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000515496260 312285947 /nfs/dbraw/zinc/28/59/47/312285947.db2.gz MJFQNBJGQPRQSS-YSIASYRMSA-N 2 1 327.472 3.294 20 0 EGADMP CC(C)n1ccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000515541595 312288184 /nfs/dbraw/zinc/28/81/84/312288184.db2.gz RRNYXBGXSQSBJS-MRXNPFEDSA-N 2 1 330.476 3.255 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000528399841 313085257 /nfs/dbraw/zinc/08/52/57/313085257.db2.gz LLUFUHPXQZYINN-OAHLLOKOSA-N 2 1 345.409 3.033 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000528399841 313085259 /nfs/dbraw/zinc/08/52/59/313085259.db2.gz LLUFUHPXQZYINN-OAHLLOKOSA-N 2 1 345.409 3.033 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cscn1 ZINC000535778184 314072925 /nfs/dbraw/zinc/07/29/25/314072925.db2.gz NRBGKNFQTZZENC-OAHLLOKOSA-N 2 1 331.485 3.469 20 0 EGADMP C[C@H](c1cccc2ccccc21)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000537610512 314195553 /nfs/dbraw/zinc/19/55/53/314195553.db2.gz VWDXNAFGGPSFFN-GOSISDBHSA-N 2 1 325.500 3.470 20 0 EGADMP CCC[N@@H+](C)CC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000537706028 314204350 /nfs/dbraw/zinc/20/43/50/314204350.db2.gz MSOLWHVLVPBDDG-UHFFFAOYSA-N 2 1 331.504 3.241 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2C)[C@H](C)C1 ZINC000537963666 314220054 /nfs/dbraw/zinc/22/00/54/314220054.db2.gz ROWZOPVIKANSHK-YLJYHZDGSA-N 2 1 334.504 3.230 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCCCCC2)CC1)CC1CC1 ZINC000538948850 314286642 /nfs/dbraw/zinc/28/66/42/314286642.db2.gz KDPZBOMCQXOAEZ-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC)C2(CC)CC)[C@H](C)C1 ZINC000540157387 314366275 /nfs/dbraw/zinc/36/62/75/314366275.db2.gz WXMJZQZHUWMBPA-HCXYKTFWSA-N 2 1 340.552 3.307 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000549796747 315104881 /nfs/dbraw/zinc/10/48/81/315104881.db2.gz HPHWVHDSWVAKJT-FPOVZHCZSA-N 2 1 348.506 3.173 20 0 EGADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552049505 315193370 /nfs/dbraw/zinc/19/33/70/315193370.db2.gz XPFMWORSWQUZFN-DXBBTUNJSA-N 2 1 341.543 3.361 20 0 EGADMP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000552049505 315193371 /nfs/dbraw/zinc/19/33/71/315193371.db2.gz XPFMWORSWQUZFN-DXBBTUNJSA-N 2 1 341.543 3.361 20 0 EGADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000552049505 315193372 /nfs/dbraw/zinc/19/33/72/315193372.db2.gz XPFMWORSWQUZFN-DXBBTUNJSA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552049505 315193373 /nfs/dbraw/zinc/19/33/73/315193373.db2.gz XPFMWORSWQUZFN-DXBBTUNJSA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552049505 315193374 /nfs/dbraw/zinc/19/33/74/315193374.db2.gz XPFMWORSWQUZFN-DXBBTUNJSA-N 2 1 341.543 3.361 20 0 EGADMP CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552247136 315208706 /nfs/dbraw/zinc/20/87/06/315208706.db2.gz CPDWZCCXRUYCSZ-IVAOSVALSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H]1CCC[C@]1(O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000552406595 315218815 /nfs/dbraw/zinc/21/88/15/315218815.db2.gz FHQKPIIALQCWEE-RQXATKFSSA-N 2 1 328.500 3.038 20 0 EGADMP O[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000554390636 315315366 /nfs/dbraw/zinc/31/53/66/315315366.db2.gz MHIPBWDXQYJJNM-WRTQPQOASA-N 2 1 328.500 3.180 20 0 EGADMP C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2sccc2Br)C1 ZINC000563570281 316039880 /nfs/dbraw/zinc/03/98/80/316039880.db2.gz BDULZNVNLWBCMP-YPMHNXCESA-N 2 1 329.307 3.427 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000564822849 316212404 /nfs/dbraw/zinc/21/24/04/316212404.db2.gz RRZSCRJDDCPPHN-BHDDXSALSA-N 3 1 341.543 3.266 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CCC(C)C)C3CC3)CC2)CC1 ZINC000565177823 316283421 /nfs/dbraw/zinc/28/34/21/316283421.db2.gz NVOQXMJIMKOEOV-UHFFFAOYSA-N 2 1 349.563 3.220 20 0 EGADMP Brc1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)C2 ZINC000110821662 454853903 /nfs/dbraw/zinc/85/39/03/454853903.db2.gz ZHTYWTJDUVSKFH-SUMWQHHRSA-N 2 1 349.316 3.380 20 0 EGADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)N1CCCc2ccccc21 ZINC000568131100 316728027 /nfs/dbraw/zinc/72/80/27/316728027.db2.gz NNEIWUXKWVSHFJ-LPHOPBHVSA-N 2 1 345.531 3.310 20 0 EGADMP Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NC[C@@H](O)C[NH+](C)C1CC1 ZINC000570325776 317039715 /nfs/dbraw/zinc/03/97/15/317039715.db2.gz XQHDOMNKHHRPMC-VQIMIIECSA-N 2 1 331.504 3.241 20 0 EGADMP Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NC[C@@H](O)C[NH+](C)C1CC1 ZINC000570325776 317039717 /nfs/dbraw/zinc/03/97/17/317039717.db2.gz XQHDOMNKHHRPMC-VQIMIIECSA-N 2 1 331.504 3.241 20 0 EGADMP Cc1cc([NH+]2CCCC[C@H]2C)ccc1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000570325776 317039719 /nfs/dbraw/zinc/03/97/19/317039719.db2.gz XQHDOMNKHHRPMC-VQIMIIECSA-N 2 1 331.504 3.241 20 0 EGADMP Cc1cc([NH+]2CCCC[C@H]2C)ccc1NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000570325776 317039720 /nfs/dbraw/zinc/03/97/20/317039720.db2.gz XQHDOMNKHHRPMC-VQIMIIECSA-N 2 1 331.504 3.241 20 0 EGADMP CCCCOc1ccccc1CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000571006221 317137688 /nfs/dbraw/zinc/13/76/88/317137688.db2.gz ANEKRPISIYGYFI-UHFFFAOYSA-N 2 1 347.547 3.323 20 0 EGADMP CCCCOc1ccccc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000571006221 317137690 /nfs/dbraw/zinc/13/76/90/317137690.db2.gz ANEKRPISIYGYFI-UHFFFAOYSA-N 2 1 347.547 3.323 20 0 EGADMP CCCCOc1ccccc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000571006221 317137693 /nfs/dbraw/zinc/13/76/93/317137693.db2.gz ANEKRPISIYGYFI-UHFFFAOYSA-N 2 1 347.547 3.323 20 0 EGADMP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1cc2c(s1)CCCC2 ZINC000571432002 317198911 /nfs/dbraw/zinc/19/89/11/317198911.db2.gz AFGVABXRTBFYMC-LBPRGKRZSA-N 2 1 345.516 3.063 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000571533177 317213546 /nfs/dbraw/zinc/21/35/46/317213546.db2.gz JZESTTQCIAHCGC-IBGZPJMESA-N 2 1 331.435 3.173 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000571533177 317213549 /nfs/dbraw/zinc/21/35/49/317213549.db2.gz JZESTTQCIAHCGC-IBGZPJMESA-N 2 1 331.435 3.173 20 0 EGADMP CN(CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000571557216 317217003 /nfs/dbraw/zinc/21/70/03/317217003.db2.gz VPJARJMYXOGLFR-NQIIRXRSSA-N 2 1 327.516 3.462 20 0 EGADMP CN(CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000571557216 317217004 /nfs/dbraw/zinc/21/70/04/317217004.db2.gz VPJARJMYXOGLFR-NQIIRXRSSA-N 2 1 327.516 3.462 20 0 EGADMP CN(CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000571557216 317217006 /nfs/dbraw/zinc/21/70/06/317217006.db2.gz VPJARJMYXOGLFR-NQIIRXRSSA-N 2 1 327.516 3.462 20 0 EGADMP CN(CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000571557216 317217009 /nfs/dbraw/zinc/21/70/09/317217009.db2.gz VPJARJMYXOGLFR-NQIIRXRSSA-N 2 1 327.516 3.462 20 0 EGADMP Cc1ccc(-c2noc(C[N@H+](CCC[NH3+])CC3CCCC3)n2)cc1 ZINC000572122170 317294635 /nfs/dbraw/zinc/29/46/35/317294635.db2.gz VDLPDXXPHHOKER-UHFFFAOYSA-N 2 1 328.460 3.386 20 0 EGADMP Cc1ccc(-c2noc(C[N@@H+](CCC[NH3+])CC3CCCC3)n2)cc1 ZINC000572122170 317294638 /nfs/dbraw/zinc/29/46/38/317294638.db2.gz VDLPDXXPHHOKER-UHFFFAOYSA-N 2 1 328.460 3.386 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000252674652 455827542 /nfs/dbraw/zinc/82/75/42/455827542.db2.gz TWSALLDGZALKJH-KBPBESRZSA-N 2 1 339.277 3.174 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000252674652 455827549 /nfs/dbraw/zinc/82/75/49/455827549.db2.gz TWSALLDGZALKJH-KBPBESRZSA-N 2 1 339.277 3.174 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000237110923 456234495 /nfs/dbraw/zinc/23/44/95/456234495.db2.gz QVTLUSZEWYFMHE-UHFFFAOYSA-N 2 1 330.303 3.111 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000386538044 324268809 /nfs/dbraw/zinc/26/88/09/324268809.db2.gz CLPWBWCNDVPORB-DOTOQJQBSA-N 2 1 339.524 3.238 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1(CN[C@H]2CC[NH+]3CCC[C@H]3C2)CCC1 ZINC000387371613 324270820 /nfs/dbraw/zinc/27/08/20/324270820.db2.gz IHJIAVSCDSDTEL-PMACEKPBSA-N 2 1 327.516 3.258 20 0 EGADMP C[NH+](Cc1ccccc1)C1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000387371613 324270825 /nfs/dbraw/zinc/27/08/25/324270825.db2.gz IHJIAVSCDSDTEL-PMACEKPBSA-N 2 1 327.516 3.258 20 0 EGADMP C[NH+](Cc1ccccc1)C1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000387371613 324270830 /nfs/dbraw/zinc/27/08/30/324270830.db2.gz IHJIAVSCDSDTEL-PMACEKPBSA-N 2 1 327.516 3.258 20 0 EGADMP CN(Cc1ccccc1)C1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000387371613 324270835 /nfs/dbraw/zinc/27/08/35/324270835.db2.gz IHJIAVSCDSDTEL-PMACEKPBSA-N 2 1 327.516 3.258 20 0 EGADMP CCn1cncc1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000417947316 324302663 /nfs/dbraw/zinc/30/26/63/324302663.db2.gz GHDJLZLQMHLJAN-HKUYNNGSSA-N 2 1 326.488 3.293 20 0 EGADMP C[C@H](CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000579222255 325079346 /nfs/dbraw/zinc/07/93/46/325079346.db2.gz GFAXRHGIRZABNX-CXAGYDPISA-N 2 1 344.421 3.244 20 0 EGADMP C[C@H](CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000579222255 325079348 /nfs/dbraw/zinc/07/93/48/325079348.db2.gz GFAXRHGIRZABNX-CXAGYDPISA-N 2 1 344.421 3.244 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000579567815 325128440 /nfs/dbraw/zinc/12/84/40/325128440.db2.gz OEACVWUKGHEXTG-IOMROCGXSA-N 2 1 327.516 3.102 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+]CC1(Sc2ccccc2)CCCC1)C1CC1 ZINC000580305469 325231495 /nfs/dbraw/zinc/23/14/95/325231495.db2.gz FFWPNKOAVRVBAS-QGZVFWFLSA-N 2 1 334.529 3.136 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(Sc2ccccc2)CCCC1)C1CC1 ZINC000580305469 325231499 /nfs/dbraw/zinc/23/14/99/325231499.db2.gz FFWPNKOAVRVBAS-QGZVFWFLSA-N 2 1 334.529 3.136 20 0 EGADMP CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000580315411 325233639 /nfs/dbraw/zinc/23/36/39/325233639.db2.gz HKDATTWUEVBIST-LSDHHAIUSA-N 2 1 330.451 3.017 20 0 EGADMP CCC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C(C)C ZINC000580657749 325279958 /nfs/dbraw/zinc/27/99/58/325279958.db2.gz XFNMKCNVTVRQGN-UHFFFAOYSA-N 2 1 345.531 3.196 20 0 EGADMP COc1ccc(Br)c(CN(C)CCCn2ccnc2)c1 ZINC000277088598 456676410 /nfs/dbraw/zinc/67/64/10/456676410.db2.gz MWXVOJFQLBVYCQ-UHFFFAOYSA-N 2 1 338.249 3.176 20 0 EGADMP Brc1c[nH+]ccc1NCCCc1nc2ccccc2[nH]1 ZINC000340021489 457320768 /nfs/dbraw/zinc/32/07/68/457320768.db2.gz ILSLCFTVHCNHES-UHFFFAOYSA-N 2 1 331.217 3.187 20 0 EGADMP c1cnn(CCC[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000183127438 455233765 /nfs/dbraw/zinc/23/37/65/455233765.db2.gz LCJDYTFVAIFSAG-HBMCJLEFSA-N 2 1 338.499 3.164 20 0 EGADMP CCOC[C@H]1CCCC[NH+]1CCC[N@@H+]1CCCC[C@@H]1COCC ZINC000459700040 458451589 /nfs/dbraw/zinc/45/15/89/458451589.db2.gz DICDLHFGAGLAES-RTBURBONSA-N 2 1 326.525 3.159 20 0 EGADMP Fc1ccc(-c2noc(CCC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000183177508 455245056 /nfs/dbraw/zinc/24/50/56/455245056.db2.gz HAWHQSZAYOCAJI-IAGOWNOFSA-N 2 1 344.434 3.025 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[NH+](CC)CC2)cc1)C(C)C ZINC000264718042 455269751 /nfs/dbraw/zinc/26/97/51/455269751.db2.gz GAIJSEAYKDRNAJ-UHFFFAOYSA-N 2 1 331.504 3.085 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@H+](CC)CC2)cc1)C(C)C ZINC000264718042 455269756 /nfs/dbraw/zinc/26/97/56/455269756.db2.gz GAIJSEAYKDRNAJ-UHFFFAOYSA-N 2 1 331.504 3.085 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@@H+](CC)CC2)cc1)C(C)C ZINC000264718042 455269760 /nfs/dbraw/zinc/26/97/60/455269760.db2.gz GAIJSEAYKDRNAJ-UHFFFAOYSA-N 2 1 331.504 3.085 20 0 EGADMP CC(C)[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000159109809 455353410 /nfs/dbraw/zinc/35/34/10/455353410.db2.gz XQVASTMOPKIFQJ-LJQANCHMSA-N 2 1 331.504 3.059 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)cc2)C1 ZINC000081362159 453864860 /nfs/dbraw/zinc/86/48/60/453864860.db2.gz PIFXPAAHUVEKDA-IBGZPJMESA-N 2 1 345.531 3.332 20 0 EGADMP c1cnn(-c2cc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)ccn2)c1 ZINC000075773074 453926060 /nfs/dbraw/zinc/92/60/60/453926060.db2.gz RVRFEGCEABBRMU-UHFFFAOYSA-N 2 1 347.466 3.022 20 0 EGADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1ccccc1Cl ZINC000075836589 453929996 /nfs/dbraw/zinc/92/99/96/453929996.db2.gz IPXTXVRDVCTMLD-INIZCTEOSA-N 2 1 349.906 3.476 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc4nccnc4c3)CC2)cc1 ZINC000634949400 460625162 /nfs/dbraw/zinc/62/51/62/460625162.db2.gz PSJQFWIKYACMEW-UHFFFAOYSA-N 2 1 332.451 3.384 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)cc(C)c1 ZINC000076330789 453989414 /nfs/dbraw/zinc/98/94/14/453989414.db2.gz MVVALVAUPKQZOC-LJQANCHMSA-N 2 1 346.519 3.183 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1C ZINC000130690380 454213239 /nfs/dbraw/zinc/21/32/39/454213239.db2.gz UCTYRGKFUXSCGR-UHFFFAOYSA-N 2 1 334.851 3.114 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1C ZINC000130690380 454213248 /nfs/dbraw/zinc/21/32/48/454213248.db2.gz UCTYRGKFUXSCGR-UHFFFAOYSA-N 2 1 334.851 3.114 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000130720979 454214584 /nfs/dbraw/zinc/21/45/84/454214584.db2.gz WVTUTAJPTSFDIT-IAGOWNOFSA-N 2 1 342.487 3.088 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000130720979 454214588 /nfs/dbraw/zinc/21/45/88/454214588.db2.gz WVTUTAJPTSFDIT-IAGOWNOFSA-N 2 1 342.487 3.088 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000090450656 454307027 /nfs/dbraw/zinc/30/70/27/454307027.db2.gz XNUHHIONULKYPX-UHIISALHSA-N 2 1 332.275 3.086 20 0 EGADMP CC[NH+](CC)[C@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)CC(C)C ZINC000132911603 454377265 /nfs/dbraw/zinc/37/72/65/454377265.db2.gz AEMAVAHJYBCDPL-INIZCTEOSA-N 2 1 337.474 3.359 20 0 EGADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000121035348 454381692 /nfs/dbraw/zinc/38/16/92/454381692.db2.gz DIIHIFWHUXNZAT-WIYYLYMNSA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@H](C)C3)cc2)CC1 ZINC000121035348 454381698 /nfs/dbraw/zinc/38/16/98/454381698.db2.gz DIIHIFWHUXNZAT-WIYYLYMNSA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000121035348 454381705 /nfs/dbraw/zinc/38/17/05/454381705.db2.gz DIIHIFWHUXNZAT-WIYYLYMNSA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000121035348 454381710 /nfs/dbraw/zinc/38/17/10/454381710.db2.gz DIIHIFWHUXNZAT-WIYYLYMNSA-N 2 1 329.532 3.491 20 0 EGADMP CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000133107131 454392429 /nfs/dbraw/zinc/39/24/29/454392429.db2.gz ZTVRMEVEFJKAOE-DLBZAZTESA-N 2 1 332.488 3.237 20 0 EGADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2cccc(SC)c2)CC1 ZINC000047977473 454427602 /nfs/dbraw/zinc/42/76/02/454427602.db2.gz PTJHTJSPALEZGK-UHFFFAOYSA-N 2 1 349.544 3.401 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCc3ccc(C(C)C)cc3)C2)CC1 ZINC000121371560 454427722 /nfs/dbraw/zinc/42/77/22/454427722.db2.gz SODOJYRQJMWEBF-NRFANRHFSA-N 2 1 329.532 3.064 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1F ZINC000121443013 454435226 /nfs/dbraw/zinc/43/52/26/454435226.db2.gz JJFRXIAJNKOEDG-IPELMVKDSA-N 2 1 341.430 3.367 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000133651195 454450923 /nfs/dbraw/zinc/45/09/23/454450923.db2.gz IZSQWDAIDZTJNK-DVOMOZLQSA-N 2 1 341.293 3.146 20 0 EGADMP CC(C)c1nn(-c2ccccc2)cc1CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000121707692 454468121 /nfs/dbraw/zinc/46/81/21/454468121.db2.gz YNEJDGVSVDBREQ-APWZRJJASA-N 2 1 326.488 3.426 20 0 EGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000121707692 454468125 /nfs/dbraw/zinc/46/81/25/454468125.db2.gz YNEJDGVSVDBREQ-APWZRJJASA-N 2 1 326.488 3.426 20 0 EGADMP c1c2c(cc3c1OCCC[C@H]3[NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000121891431 454489529 /nfs/dbraw/zinc/48/95/29/454489529.db2.gz DNEMYJSEKTYSLZ-FOIQADDNSA-N 2 1 326.484 3.463 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000121941178 454496627 /nfs/dbraw/zinc/49/66/27/454496627.db2.gz GNFLKRCLCAZUKR-GFCCVEGCSA-N 2 1 331.851 3.158 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000105476760 454641134 /nfs/dbraw/zinc/64/11/34/454641134.db2.gz LRTCKBUJGXSKNE-UHFFFAOYSA-N 2 1 327.472 3.064 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCn1cc[nH+]c1C ZINC000052119948 454655987 /nfs/dbraw/zinc/65/59/87/454655987.db2.gz NPPZFKRCYWORJS-UHFFFAOYSA-N 2 1 345.397 3.062 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000052210084 454661079 /nfs/dbraw/zinc/66/10/79/454661079.db2.gz CXAWQUXRHGHXQC-IBGZPJMESA-N 2 1 340.458 3.442 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000081256211 454699061 /nfs/dbraw/zinc/69/90/61/454699061.db2.gz NEIRRZJLQMSGHI-QGZVFWFLSA-N 2 1 334.508 3.023 20 0 EGADMP CN(c1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000093443302 454715734 /nfs/dbraw/zinc/71/57/34/454715734.db2.gz AJGYQDGGHACSRG-HDICACEKSA-N 2 1 327.516 3.449 20 0 EGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cccc4c3CC[NH2+]C4)CC2)C1 ZINC000635008823 460651752 /nfs/dbraw/zinc/65/17/52/460651752.db2.gz HLSHTKHCEFZQSH-DYESRHJHSA-N 3 1 341.543 3.465 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000162188845 454757823 /nfs/dbraw/zinc/75/78/23/454757823.db2.gz PPPVUVNIHBXLCF-HSMVNMDESA-N 2 1 343.284 3.449 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(OCC)cc2)C1 ZINC000137736605 454784929 /nfs/dbraw/zinc/78/49/29/454784929.db2.gz OLPXHCIOGAWOHR-QGZVFWFLSA-N 2 1 347.503 3.078 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(OCC)cc2)C1 ZINC000137736605 454784933 /nfs/dbraw/zinc/78/49/33/454784933.db2.gz OLPXHCIOGAWOHR-QGZVFWFLSA-N 2 1 347.503 3.078 20 0 EGADMP COc1ccccc1[C@H](CN[C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCCC1 ZINC000153367293 454786885 /nfs/dbraw/zinc/78/68/85/454786885.db2.gz OCAPAWGROOCEQG-UMGGQSCQSA-N 2 1 345.531 3.150 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)N1CCCC1 ZINC000153367293 454786887 /nfs/dbraw/zinc/78/68/87/454786887.db2.gz OCAPAWGROOCEQG-UMGGQSCQSA-N 2 1 345.531 3.150 20 0 EGADMP CC(C)COC[C@@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000176915204 454799084 /nfs/dbraw/zinc/79/90/84/454799084.db2.gz NHJFHSQOBHIQIU-NRSPTQNISA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000176915204 454799087 /nfs/dbraw/zinc/79/90/87/454799087.db2.gz NHJFHSQOBHIQIU-NRSPTQNISA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176915204 454799089 /nfs/dbraw/zinc/79/90/89/454799089.db2.gz NHJFHSQOBHIQIU-NRSPTQNISA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176915204 454799093 /nfs/dbraw/zinc/79/90/93/454799093.db2.gz NHJFHSQOBHIQIU-NRSPTQNISA-N 2 1 348.531 3.005 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000163239378 454833302 /nfs/dbraw/zinc/83/33/02/454833302.db2.gz FAPXZPGYVLJTOU-FSAOVCISSA-N 3 1 329.532 3.358 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000163239378 454833304 /nfs/dbraw/zinc/83/33/04/454833304.db2.gz FAPXZPGYVLJTOU-FSAOVCISSA-N 3 1 329.532 3.358 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000163239378 454833307 /nfs/dbraw/zinc/83/33/07/454833307.db2.gz FAPXZPGYVLJTOU-FSAOVCISSA-N 3 1 329.532 3.358 20 0 EGADMP C[C@@H]([N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1(C)CC1 ZINC000177222862 454839139 /nfs/dbraw/zinc/83/91/39/454839139.db2.gz NDFOAOYJSLDURP-QGZVFWFLSA-N 2 1 343.515 3.019 20 0 EGADMP CC(C)[NH2+]CCC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000164844465 454890238 /nfs/dbraw/zinc/89/02/38/454890238.db2.gz OOAHAJKIANZBDK-HDICACEKSA-N 2 1 345.531 3.169 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150804073 454895046 /nfs/dbraw/zinc/89/50/46/454895046.db2.gz UEFPMAUOLPRERU-INIZCTEOSA-N 2 1 347.528 3.155 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000112683967 454896203 /nfs/dbraw/zinc/89/62/03/454896203.db2.gz HPMJXMNWNGLPOZ-NRFANRHFSA-N 2 1 346.515 3.026 20 0 EGADMP CCc1nc(C)c([C@H](C)[NH2+]CCCC[NH+]2CCN(CC)CC2)s1 ZINC000154452393 454898384 /nfs/dbraw/zinc/89/83/84/454898384.db2.gz ZAQSRQJPKPOOLS-HNNXBMFYSA-N 2 1 338.565 3.082 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cncc(F)c1 ZINC000165328823 454898744 /nfs/dbraw/zinc/89/87/44/454898744.db2.gz FCCTXAKAUFOTDA-FUHWJXTLSA-N 2 1 327.447 3.436 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cncc(F)c1 ZINC000165328823 454898747 /nfs/dbraw/zinc/89/87/47/454898747.db2.gz FCCTXAKAUFOTDA-FUHWJXTLSA-N 2 1 327.447 3.436 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cncc(F)c1 ZINC000165328943 454899371 /nfs/dbraw/zinc/89/93/71/454899371.db2.gz FCCTXAKAUFOTDA-SJLPKXTDSA-N 2 1 327.447 3.436 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cncc(F)c1 ZINC000165328943 454899372 /nfs/dbraw/zinc/89/93/72/454899372.db2.gz FCCTXAKAUFOTDA-SJLPKXTDSA-N 2 1 327.447 3.436 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(F)cc1 ZINC000126732969 454914715 /nfs/dbraw/zinc/91/47/15/454914715.db2.gz DEWJMVFRQHFHAD-QGZVFWFLSA-N 2 1 341.474 3.424 20 0 EGADMP CC[N@H+](CCCn1cc[nH+]c1C)CC(=O)Nc1c(C)cccc1C ZINC000127443355 454965607 /nfs/dbraw/zinc/96/56/07/454965607.db2.gz NYECDRLIRFKBQD-UHFFFAOYSA-N 2 1 328.460 3.159 20 0 EGADMP CC[N@@H+](CCCn1cc[nH+]c1C)CC(=O)Nc1c(C)cccc1C ZINC000127443355 454965612 /nfs/dbraw/zinc/96/56/12/454965612.db2.gz NYECDRLIRFKBQD-UHFFFAOYSA-N 2 1 328.460 3.159 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000178856887 454985348 /nfs/dbraw/zinc/98/53/48/454985348.db2.gz WBCRLULMNSPSIN-GFCCVEGCSA-N 2 1 345.397 3.286 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2nc(C)c(C)s2)[C@H](C)C1 ZINC000127721994 454991605 /nfs/dbraw/zinc/99/16/05/454991605.db2.gz GJUKNKYSTWPQEV-PBHICJAKSA-N 2 1 339.549 3.029 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cc(Br)ccc2F)[C@H](C)C1 ZINC000155368475 454992516 /nfs/dbraw/zinc/99/25/16/454992516.db2.gz GQYRDFQHJSXZRJ-MLGOLLRUSA-N 2 1 343.284 3.451 20 0 EGADMP O[C@H](C[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1)c1cccs1 ZINC000178976641 454994866 /nfs/dbraw/zinc/99/48/66/454994866.db2.gz HVFGEZNBGPTNDF-GOSISDBHSA-N 2 1 330.497 3.283 20 0 EGADMP CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000116396399 455054951 /nfs/dbraw/zinc/05/49/51/455054951.db2.gz OREKQMWNHJCSIY-QAPCUYQASA-N 2 1 349.519 3.368 20 0 EGADMP CC(C)COc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128433201 455055791 /nfs/dbraw/zinc/05/57/91/455055791.db2.gz RFVRLBLMYOLTKN-LJQANCHMSA-N 2 1 347.547 3.400 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000179634932 455062841 /nfs/dbraw/zinc/06/28/41/455062841.db2.gz XFHNYZBFPMMLSR-GOSISDBHSA-N 2 1 334.467 3.409 20 0 EGADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000156325912 455104862 /nfs/dbraw/zinc/10/48/62/455104862.db2.gz CTYGCEONPHTTCZ-APWZRJJASA-N 2 1 325.456 3.090 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000156325912 455104866 /nfs/dbraw/zinc/10/48/66/455104866.db2.gz CTYGCEONPHTTCZ-APWZRJJASA-N 2 1 325.456 3.090 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000156325912 455104869 /nfs/dbraw/zinc/10/48/69/455104869.db2.gz CTYGCEONPHTTCZ-APWZRJJASA-N 2 1 325.456 3.090 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccncc1 ZINC000156497889 455125109 /nfs/dbraw/zinc/12/51/09/455125109.db2.gz CRQPEBZGWMFMSP-IRXDYDNUSA-N 2 1 325.456 3.153 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccncc1 ZINC000156497889 455125113 /nfs/dbraw/zinc/12/51/13/455125113.db2.gz CRQPEBZGWMFMSP-IRXDYDNUSA-N 2 1 325.456 3.153 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000180110945 455133437 /nfs/dbraw/zinc/13/34/37/455133437.db2.gz ALQNCKGPRGIFJG-NQIIRXRSSA-N 2 1 329.532 3.236 20 0 EGADMP CCOc1ccc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000172576719 455162534 /nfs/dbraw/zinc/16/25/34/455162534.db2.gz QGGWMDFWVCXZCF-GOSISDBHSA-N 2 1 332.488 3.414 20 0 EGADMP CCOc1ccc(OCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000172576719 455162536 /nfs/dbraw/zinc/16/25/36/455162536.db2.gz QGGWMDFWVCXZCF-GOSISDBHSA-N 2 1 332.488 3.414 20 0 EGADMP CC(C)[C@@H](CSc1ccccc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000180467507 455175106 /nfs/dbraw/zinc/17/51/06/455175106.db2.gz ZTOQNALPHJLFEX-HXUWFJFHSA-N 2 1 349.588 3.421 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000237341855 455175506 /nfs/dbraw/zinc/17/55/06/455175506.db2.gz HNSPBILOEPZQNU-CRAIPNDOSA-N 2 1 331.504 3.051 20 0 EGADMP Cc1sc2nc([C@H](C)[N@@H+](C)CCCn3ccnc3)nc(N)c2c1C ZINC000181117172 455290587 /nfs/dbraw/zinc/29/05/87/455290587.db2.gz GTMVBLWSOKYSBB-LBPRGKRZSA-N 2 1 344.488 3.170 20 0 EGADMP Cc1sc2nc([C@H](C)N(C)CCCn3ccnc3)nc(N)c2c1C ZINC000181117172 455290590 /nfs/dbraw/zinc/29/05/90/455290590.db2.gz GTMVBLWSOKYSBB-LBPRGKRZSA-N 2 1 344.488 3.170 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182908481 455188632 /nfs/dbraw/zinc/18/86/32/455188632.db2.gz YYPQJBVLLZJEEF-IRXDYDNUSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182908481 455188638 /nfs/dbraw/zinc/18/86/38/455188638.db2.gz YYPQJBVLLZJEEF-IRXDYDNUSA-N 2 1 346.519 3.166 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)cc2)C1 ZINC000237676183 455206716 /nfs/dbraw/zinc/20/67/16/455206716.db2.gz RDQTXJRAANEIOB-JXFKEZNVSA-N 2 1 329.488 3.247 20 0 EGADMP COC[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000158197966 455279664 /nfs/dbraw/zinc/27/96/64/455279664.db2.gz CSRKSAWRWWVSFS-BBRMVZONSA-N 2 1 330.394 3.324 20 0 EGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000158197966 455279667 /nfs/dbraw/zinc/27/96/67/455279667.db2.gz CSRKSAWRWWVSFS-BBRMVZONSA-N 2 1 330.394 3.324 20 0 EGADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)n1 ZINC000245305031 455281985 /nfs/dbraw/zinc/28/19/85/455281985.db2.gz HRBXCNAGMIKIGO-CTNGQTDRSA-N 2 1 338.499 3.248 20 0 EGADMP CCN(C(=O)CN1CC[C@@H](C[N@@H+](C)CC)C1)[C@H](C)c1ccc(F)cc1 ZINC000245442537 455301531 /nfs/dbraw/zinc/30/15/31/455301531.db2.gz ICLTZISYCBOUAQ-SJORKVTESA-N 2 1 349.494 3.009 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccccn1 ZINC000158791964 455330234 /nfs/dbraw/zinc/33/02/34/455330234.db2.gz QWHSJZZNNFGJJO-SJORKVTESA-N 2 1 325.456 3.153 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccccn1 ZINC000158791964 455330240 /nfs/dbraw/zinc/33/02/40/455330240.db2.gz QWHSJZZNNFGJJO-SJORKVTESA-N 2 1 325.456 3.153 20 0 EGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246347567 455474157 /nfs/dbraw/zinc/47/41/57/455474157.db2.gz HJIZQVCTTVBQMB-NFAWXSAZSA-N 2 1 325.294 3.452 20 0 EGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246347567 455474161 /nfs/dbraw/zinc/47/41/61/455474161.db2.gz HJIZQVCTTVBQMB-NFAWXSAZSA-N 2 1 325.294 3.452 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)nc1 ZINC000182269863 455476347 /nfs/dbraw/zinc/47/63/47/455476347.db2.gz ODBMOZXNDFRBFP-KDOFPFPSSA-N 2 1 345.874 3.152 20 0 EGADMP COc1ccccc1OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246527935 455505678 /nfs/dbraw/zinc/50/56/78/455505678.db2.gz JFFYCELLAHWKTC-WMZOPIPTSA-N 2 1 330.472 3.023 20 0 EGADMP COc1ccccc1OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246527935 455505683 /nfs/dbraw/zinc/50/56/83/455505683.db2.gz JFFYCELLAHWKTC-WMZOPIPTSA-N 2 1 330.472 3.023 20 0 EGADMP COc1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246527935 455505689 /nfs/dbraw/zinc/50/56/89/455505689.db2.gz JFFYCELLAHWKTC-WMZOPIPTSA-N 2 1 330.472 3.023 20 0 EGADMP COc1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246527935 455505695 /nfs/dbraw/zinc/50/56/95/455505695.db2.gz JFFYCELLAHWKTC-WMZOPIPTSA-N 2 1 330.472 3.023 20 0 EGADMP C[C@H](C(=O)NCC1CCCCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000247027026 455547106 /nfs/dbraw/zinc/54/71/06/455547106.db2.gz YDIPTMCRSMYJIF-POAQFYNOSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H](NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000247205566 455573620 /nfs/dbraw/zinc/57/36/20/455573620.db2.gz WQZDRAABOKAION-QZTJIDSGSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@@H](NCC[N@H+]1CCC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000247205566 455573623 /nfs/dbraw/zinc/57/36/23/455573623.db2.gz WQZDRAABOKAION-QZTJIDSGSA-N 2 1 333.520 3.010 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)cc1)C(C)C ZINC000247270351 455580808 /nfs/dbraw/zinc/58/08/08/455580808.db2.gz FLXIDMCLPWUUJO-XLIONFOSSA-N 2 1 345.531 3.329 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1)C(C)C ZINC000247270351 455580810 /nfs/dbraw/zinc/58/08/10/455580810.db2.gz FLXIDMCLPWUUJO-XLIONFOSSA-N 2 1 345.531 3.329 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1)C(C)C ZINC000247270351 455580811 /nfs/dbraw/zinc/58/08/11/455580811.db2.gz FLXIDMCLPWUUJO-XLIONFOSSA-N 2 1 345.531 3.329 20 0 EGADMP CC(C)C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+][C@H](C)c1ccccc1 ZINC000601021575 460679283 /nfs/dbraw/zinc/67/92/83/460679283.db2.gz DUSPGZXMSCIBAJ-MISYRCLQSA-N 2 1 345.531 3.352 20 0 EGADMP CC(C)CN(C(=O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000185671655 455593044 /nfs/dbraw/zinc/59/30/44/455593044.db2.gz FNZYPDPJQREHHI-ZWKOTPCHSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CN(C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000185671655 455593048 /nfs/dbraw/zinc/59/30/48/455593048.db2.gz FNZYPDPJQREHHI-ZWKOTPCHSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CN(C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000185671655 455593051 /nfs/dbraw/zinc/59/30/51/455593051.db2.gz FNZYPDPJQREHHI-ZWKOTPCHSA-N 2 1 337.552 3.122 20 0 EGADMP Cc1cc(C)cc(NC(=O)CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185684107 455595956 /nfs/dbraw/zinc/59/59/56/455595956.db2.gz NHKBVAHACAZWSF-ROUUACIJSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1cc(C)cc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185684107 455595961 /nfs/dbraw/zinc/59/59/61/455595961.db2.gz NHKBVAHACAZWSF-ROUUACIJSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1cc(C)cc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185684107 455595969 /nfs/dbraw/zinc/59/59/69/455595969.db2.gz NHKBVAHACAZWSF-ROUUACIJSA-N 2 1 343.515 3.485 20 0 EGADMP C[C@H](NCC(=O)N(C)C1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185702345 455600924 /nfs/dbraw/zinc/60/09/24/455600924.db2.gz HWHDBESCSSRRMK-IRXDYDNUSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185702345 455600930 /nfs/dbraw/zinc/60/09/30/455600930.db2.gz HWHDBESCSSRRMK-IRXDYDNUSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185702345 455600934 /nfs/dbraw/zinc/60/09/34/455600934.db2.gz HWHDBESCSSRRMK-IRXDYDNUSA-N 2 1 335.536 3.020 20 0 EGADMP CCc1oc(C(=O)OC)cc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185726025 455607047 /nfs/dbraw/zinc/60/70/47/455607047.db2.gz RPVWUYDVRQGOPB-HUUCEWRRSA-N 2 1 348.487 3.371 20 0 EGADMP CCc1oc(C(=O)OC)cc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185726025 455607050 /nfs/dbraw/zinc/60/70/50/455607050.db2.gz RPVWUYDVRQGOPB-HUUCEWRRSA-N 2 1 348.487 3.371 20 0 EGADMP O=C(c1ccc2c[nH+]cn2c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000283894945 455608998 /nfs/dbraw/zinc/60/89/98/455608998.db2.gz KFVRQYQSRSMNOS-UHFFFAOYSA-N 2 1 340.471 3.063 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(F)cc(F)c1 ZINC000271468961 455648899 /nfs/dbraw/zinc/64/88/99/455648899.db2.gz HAWGRVQPTMLNHJ-MJXNMMHHSA-N 2 1 338.442 3.383 20 0 EGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000284193481 455649374 /nfs/dbraw/zinc/64/93/74/455649374.db2.gz RSJJJBRXEWLDCZ-GOSISDBHSA-N 2 1 347.503 3.361 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000284193481 455649378 /nfs/dbraw/zinc/64/93/78/455649378.db2.gz RSJJJBRXEWLDCZ-GOSISDBHSA-N 2 1 347.503 3.361 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(OC)cc32)[C@@H](C)C1 ZINC000247929151 455655996 /nfs/dbraw/zinc/65/59/96/455655996.db2.gz BWMOKAVUDOWORQ-NDXORKPFSA-N 2 1 346.515 3.409 20 0 EGADMP Cc1ccc(C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C2CC2)cc1 ZINC000247990312 455666165 /nfs/dbraw/zinc/66/61/65/455666165.db2.gz JHBSXUVUZIFRTG-SFTDATJTSA-N 2 1 330.516 3.143 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000268404506 455674021 /nfs/dbraw/zinc/67/40/21/455674021.db2.gz SOWCZYMWTYUMSB-LJQANCHMSA-N 2 1 345.531 3.236 20 0 EGADMP COc1ccc([C@@H](C)[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000192715682 455676884 /nfs/dbraw/zinc/67/68/84/455676884.db2.gz KFDGWUPCLXKRNJ-GOSISDBHSA-N 2 1 333.520 3.104 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000268898186 455723293 /nfs/dbraw/zinc/72/32/93/455723293.db2.gz OAOUXFNQGXHUFG-POAQFYNOSA-N 2 1 328.456 3.130 20 0 EGADMP COc1ccccc1C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C(C)C ZINC000268905473 455725643 /nfs/dbraw/zinc/72/56/43/455725643.db2.gz LVACEYREBDMYTO-PMACEKPBSA-N 2 1 348.531 3.089 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000268905059 455725996 /nfs/dbraw/zinc/72/59/96/455725996.db2.gz XLGMUYPFOSHNBD-HNNXBMFYSA-N 2 1 326.444 3.059 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000616994286 460692587 /nfs/dbraw/zinc/69/25/87/460692587.db2.gz YBQXYSBMJXCPTK-GOSISDBHSA-N 2 1 343.515 3.133 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186362749 455752504 /nfs/dbraw/zinc/75/25/04/455752504.db2.gz BTHWGOUOVFRIAB-AWEZNQCLSA-N 2 1 329.444 3.263 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(N2CCOC2=O)cc1 ZINC000271829330 455778426 /nfs/dbraw/zinc/77/84/26/455778426.db2.gz RLBSPPUYHCIWOR-NVXWUHKLSA-N 2 1 331.460 3.168 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cccnc3Cl)CC2)nc(C)[nH+]1 ZINC000269063793 455780598 /nfs/dbraw/zinc/78/05/98/455780598.db2.gz KVKZWCUSWFBOCS-ZDUSSCGKSA-N 2 1 345.878 3.461 20 0 EGADMP CCn1cc(CC[N@H+]2CCC[C@@H]2Cn2c(C)nc3ccccc32)cn1 ZINC000285077193 455785374 /nfs/dbraw/zinc/78/53/74/455785374.db2.gz PNAMDLXOTSBHSD-GOSISDBHSA-N 2 1 337.471 3.268 20 0 EGADMP C[C@H](CCO)C1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000271872430 455794830 /nfs/dbraw/zinc/79/48/30/455794830.db2.gz MZBYAAVOWLGBLX-GOSISDBHSA-N 2 1 330.516 3.429 20 0 EGADMP C[N@@H+](CCCc1nc(-c2ccccc2)no1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285352740 455829036 /nfs/dbraw/zinc/82/90/36/455829036.db2.gz AYHFTPKSKUXTCD-JWTNVVGKSA-N 2 1 340.471 3.226 20 0 EGADMP C[NH+](CCCc1nc(-c2ccccc2)no1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285352740 455829043 /nfs/dbraw/zinc/82/90/43/455829043.db2.gz AYHFTPKSKUXTCD-JWTNVVGKSA-N 2 1 340.471 3.226 20 0 EGADMP C[NH+](CCCc1nc(-c2ccccc2)no1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285352740 455829049 /nfs/dbraw/zinc/82/90/49/455829049.db2.gz AYHFTPKSKUXTCD-JWTNVVGKSA-N 2 1 340.471 3.226 20 0 EGADMP Cc1cnn(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000285445105 455848064 /nfs/dbraw/zinc/84/80/64/455848064.db2.gz LRCGCXHBPHIORP-KRWDZBQOSA-N 2 1 326.488 3.393 20 0 EGADMP Cc1cnn(C)c1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000285551412 455867375 /nfs/dbraw/zinc/86/73/75/455867375.db2.gz UPWDBWOCIPLHJM-QGZVFWFLSA-N 2 1 326.488 3.393 20 0 EGADMP COCc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000272185855 455870414 /nfs/dbraw/zinc/87/04/14/455870414.db2.gz KZDCAMWYYSDRKA-WMZOPIPTSA-N 2 1 328.456 3.426 20 0 EGADMP COCc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000272185855 455870417 /nfs/dbraw/zinc/87/04/17/455870417.db2.gz KZDCAMWYYSDRKA-WMZOPIPTSA-N 2 1 328.456 3.426 20 0 EGADMP COc1ccc(-c2ccncc2)cc1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000187226483 455883141 /nfs/dbraw/zinc/88/31/41/455883141.db2.gz MHPQIZYABNVQPS-INIZCTEOSA-N 2 1 325.456 3.189 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000187226483 455883146 /nfs/dbraw/zinc/88/31/46/455883146.db2.gz MHPQIZYABNVQPS-INIZCTEOSA-N 2 1 325.456 3.189 20 0 EGADMP CC(C)n1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272245413 455890446 /nfs/dbraw/zinc/89/04/46/455890446.db2.gz XGEAZMAYPNRVGI-XLIONFOSSA-N 2 1 326.488 3.464 20 0 EGADMP C[C@H](NCCC[N@@H+](C)C1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285665958 455892226 /nfs/dbraw/zinc/89/22/26/455892226.db2.gz NCWWXMBRZAXSEH-HNNXBMFYSA-N 2 1 345.487 3.323 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285665958 455892233 /nfs/dbraw/zinc/89/22/33/455892233.db2.gz NCWWXMBRZAXSEH-HNNXBMFYSA-N 2 1 345.487 3.323 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285665958 455892239 /nfs/dbraw/zinc/89/22/39/455892239.db2.gz NCWWXMBRZAXSEH-HNNXBMFYSA-N 2 1 345.487 3.323 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261643700 455920293 /nfs/dbraw/zinc/92/02/93/455920293.db2.gz GMHRILYTHBFEGS-GOSISDBHSA-N 2 1 332.879 3.313 20 0 EGADMP COc1cccc([C@H](CN[C@H]2C[C@H]([NH3+])c3ccccc32)N(C)C)c1 ZINC000261701835 455930714 /nfs/dbraw/zinc/93/07/14/455930714.db2.gz OTOFFZBCPOZQKD-UFYCRDLUSA-N 2 1 325.456 3.032 20 0 EGADMP C[NH2+][C@H](C)Cc1noc([C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000261797972 455949670 /nfs/dbraw/zinc/94/96/70/455949670.db2.gz OYSJNPAPLYGJDF-CVEARBPZSA-N 2 1 342.487 3.236 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCSc2ccc(OC)cc21 ZINC000187763501 455950067 /nfs/dbraw/zinc/95/00/67/455950067.db2.gz LCFZSZBLSBHLRW-QGZVFWFLSA-N 2 1 338.517 3.180 20 0 EGADMP Cc1cnccc1NC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272477022 455963739 /nfs/dbraw/zinc/96/37/39/455963739.db2.gz SJZPFFAKJMXCPB-AEFFLSMTSA-N 2 1 338.455 3.422 20 0 EGADMP CCC[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000296584257 455980855 /nfs/dbraw/zinc/98/08/55/455980855.db2.gz XATQZQWKVRCITH-IAGOWNOFSA-N 2 1 331.504 3.065 20 0 EGADMP CC(C)([NH3+])C[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000261978066 455981399 /nfs/dbraw/zinc/98/13/99/455981399.db2.gz RAFPDHGLPQPQET-UHFFFAOYSA-N 2 1 344.286 3.381 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000270551125 455981540 /nfs/dbraw/zinc/98/15/40/455981540.db2.gz ZWVKHCAQHBOWME-PLACYPQZSA-N 2 1 340.511 3.098 20 0 EGADMP CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000262022049 455986373 /nfs/dbraw/zinc/98/63/73/455986373.db2.gz WGTJXDKTYIMMQF-SXLOBPIMSA-N 2 1 336.483 3.409 20 0 EGADMP OC1CC[NH+](CCC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272563374 455995984 /nfs/dbraw/zinc/99/59/84/455995984.db2.gz SGJSDHVPAUNWJJ-LJQANCHMSA-N 2 1 332.463 3.198 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC000296635230 455996298 /nfs/dbraw/zinc/99/62/98/455996298.db2.gz XQSJLZIJYSZCSC-UYTSQGDYSA-N 2 1 346.471 3.357 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC000296635230 455996300 /nfs/dbraw/zinc/99/63/00/455996300.db2.gz XQSJLZIJYSZCSC-UYTSQGDYSA-N 2 1 346.471 3.357 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272604450 456010322 /nfs/dbraw/zinc/01/03/22/456010322.db2.gz YYNFKTXHDKNCON-YUXAGFNASA-N 2 1 338.495 3.090 20 0 EGADMP Cc1ncsc1CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272608421 456013180 /nfs/dbraw/zinc/01/31/80/456013180.db2.gz ZLHKQYDFGXRHLC-MAUKXSAKSA-N 2 1 329.513 3.494 20 0 EGADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272679695 456037063 /nfs/dbraw/zinc/03/70/63/456037063.db2.gz MSIKTZGLTJFNHN-HSROGRKHSA-N 2 1 330.516 3.284 20 0 EGADMP CC1CCN(C(=[NH2+])NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000262652826 456051323 /nfs/dbraw/zinc/05/13/23/456051323.db2.gz JWKPYGWPHQOLGH-NVXWUHKLSA-N 2 1 334.533 3.387 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000270888479 456059675 /nfs/dbraw/zinc/05/96/75/456059675.db2.gz XFKQDYJUJRAATB-CVEARBPZSA-N 2 1 340.254 3.088 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000270888479 456059678 /nfs/dbraw/zinc/05/96/78/456059678.db2.gz XFKQDYJUJRAATB-CVEARBPZSA-N 2 1 340.254 3.088 20 0 EGADMP CC(C)[C@@H](CNc1cc[nH+]c2cc(F)ccc12)[NH+]1CCN(C)CC1 ZINC000301362604 456098784 /nfs/dbraw/zinc/09/87/84/456098784.db2.gz MMUSNMWRCUUODR-LJQANCHMSA-N 2 1 330.451 3.058 20 0 EGADMP Cc1cc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)cn2cc[nH+]c12 ZINC000297038185 456099905 /nfs/dbraw/zinc/09/99/05/456099905.db2.gz RMMDGWAOGPRCSA-UHFFFAOYSA-N 2 1 341.459 3.125 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000263261026 456117593 /nfs/dbraw/zinc/11/75/93/456117593.db2.gz MJOFRGSCLJEZHD-WSCSCYJOSA-N 2 1 347.547 3.020 20 0 EGADMP Cc1ccncc1CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000289878151 456165624 /nfs/dbraw/zinc/16/56/24/456165624.db2.gz WPEHQUABRBMVOB-NVXWUHKLSA-N 2 1 333.476 3.168 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1c(Cl)cccc1-n1ccnc1 ZINC000297280120 456170593 /nfs/dbraw/zinc/17/05/93/456170593.db2.gz LHEUBMSPXSENEC-CPUCHLNUSA-N 3 1 332.879 3.344 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000297280120 456170599 /nfs/dbraw/zinc/17/05/99/456170599.db2.gz LHEUBMSPXSENEC-CPUCHLNUSA-N 2 1 332.879 3.344 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000297280120 456170604 /nfs/dbraw/zinc/17/06/04/456170604.db2.gz LHEUBMSPXSENEC-CPUCHLNUSA-N 2 1 332.879 3.344 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1)C(C)C ZINC000236922963 456201904 /nfs/dbraw/zinc/20/19/04/456201904.db2.gz BWEULZKWSVBFCW-LJQANCHMSA-N 2 1 333.520 3.362 20 0 EGADMP C[N@@H+](CCO)Cc1cc(NCc2cn3ccccc3n2)ccc1Cl ZINC000290105992 456241333 /nfs/dbraw/zinc/24/13/33/456241333.db2.gz KPHLALHFSYPXMV-UHFFFAOYSA-N 2 1 344.846 3.024 20 0 EGADMP CN(CCO)Cc1cc(NCc2cn3ccccc3n2)ccc1Cl ZINC000290105992 456241335 /nfs/dbraw/zinc/24/13/35/456241335.db2.gz KPHLALHFSYPXMV-UHFFFAOYSA-N 2 1 344.846 3.024 20 0 EGADMP C[NH+](C)C[C@H](NCc1ccc(-n2ccnc2)cc1)c1ccc(F)cc1 ZINC000290157796 456255484 /nfs/dbraw/zinc/25/54/84/456255484.db2.gz PTLYQVUGHQDRCM-FQEVSTJZSA-N 2 1 338.430 3.404 20 0 EGADMP CCOC(=O)[C@H](CC)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342867468 456283539 /nfs/dbraw/zinc/28/35/39/456283539.db2.gz BUYUDSGLGJLLMH-IBGZPJMESA-N 2 1 344.499 3.316 20 0 EGADMP CCOC(=O)[C@H](CC)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000342867468 456283547 /nfs/dbraw/zinc/28/35/47/456283547.db2.gz BUYUDSGLGJLLMH-IBGZPJMESA-N 2 1 344.499 3.316 20 0 EGADMP CCOC(=O)[C@H](CC)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342867468 456283552 /nfs/dbraw/zinc/28/35/52/456283552.db2.gz BUYUDSGLGJLLMH-IBGZPJMESA-N 2 1 344.499 3.316 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(Cc2cc(O)cc(F)c2)CC1 ZINC000275739575 456300980 /nfs/dbraw/zinc/30/09/80/456300980.db2.gz POIVGKQGNARMSL-LJQANCHMSA-N 2 1 343.446 3.413 20 0 EGADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1O ZINC000336791811 456310515 /nfs/dbraw/zinc/31/05/15/456310515.db2.gz PDNUQOHKCJOVLI-IBGZPJMESA-N 2 1 340.467 3.403 20 0 EGADMP CC[C@@H](C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1)[NH+]1CCCC1 ZINC000275789593 456314647 /nfs/dbraw/zinc/31/46/47/456314647.db2.gz YJNWGPDWIGMRMR-PMACEKPBSA-N 2 1 341.503 3.182 20 0 EGADMP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000275790022 456315209 /nfs/dbraw/zinc/31/52/09/456315209.db2.gz GOLRCEBHDDZZNX-GOSISDBHSA-N 2 1 343.515 3.384 20 0 EGADMP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000275790024 456315335 /nfs/dbraw/zinc/31/53/35/456315335.db2.gz GOLRCEBHDDZZNX-SFHVURJKSA-N 2 1 343.515 3.384 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000297994810 456339492 /nfs/dbraw/zinc/33/94/92/456339492.db2.gz YZKPFIRONYEMPH-OALUTQOASA-N 2 1 345.531 3.075 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000297994810 456339496 /nfs/dbraw/zinc/33/94/96/456339496.db2.gz YZKPFIRONYEMPH-OALUTQOASA-N 2 1 345.531 3.075 20 0 EGADMP CC[NH+]1CCC([N@H+](C)CC2(COc3cccc(COC)c3)CC2)CC1 ZINC000342997060 456345214 /nfs/dbraw/zinc/34/52/14/456345214.db2.gz YARXBBIOBRIPHN-UHFFFAOYSA-N 2 1 346.515 3.408 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)CC2(COc3cccc(COC)c3)CC2)CC1 ZINC000342997060 456345221 /nfs/dbraw/zinc/34/52/21/456345221.db2.gz YARXBBIOBRIPHN-UHFFFAOYSA-N 2 1 346.515 3.408 20 0 EGADMP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000290530916 456354813 /nfs/dbraw/zinc/35/48/13/456354813.db2.gz QQZZRVPLMTWCMR-QRVBRYPASA-N 2 1 330.472 3.286 20 0 EGADMP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000290530916 456354816 /nfs/dbraw/zinc/35/48/16/456354816.db2.gz QQZZRVPLMTWCMR-QRVBRYPASA-N 2 1 330.472 3.286 20 0 EGADMP Cc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000343055553 456376164 /nfs/dbraw/zinc/37/61/64/456376164.db2.gz ADXXYEXYILQFJE-ROUUACIJSA-N 2 1 345.874 3.414 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCOCC3)C2)C[C@@H]1c1ccccc1 ZINC000340307323 456376845 /nfs/dbraw/zinc/37/68/45/456376845.db2.gz VEZUMTFRPBBDQJ-SLFFLAALSA-N 2 1 344.499 3.140 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCOCC3)C2)C[C@@H]1c1ccccc1 ZINC000340307323 456376853 /nfs/dbraw/zinc/37/68/53/456376853.db2.gz VEZUMTFRPBBDQJ-SLFFLAALSA-N 2 1 344.499 3.140 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OC(F)F ZINC000290632555 456388687 /nfs/dbraw/zinc/38/86/87/456388687.db2.gz YBTXYQDNOCVGLT-CABCVRRESA-N 2 1 340.414 3.213 20 0 EGADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1OC(F)F ZINC000290632555 456388694 /nfs/dbraw/zinc/38/86/94/456388694.db2.gz YBTXYQDNOCVGLT-CABCVRRESA-N 2 1 340.414 3.213 20 0 EGADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1OC(F)F ZINC000290632555 456388698 /nfs/dbraw/zinc/38/86/98/456388698.db2.gz YBTXYQDNOCVGLT-CABCVRRESA-N 2 1 340.414 3.213 20 0 EGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)nc2)CC1 ZINC000290634486 456390605 /nfs/dbraw/zinc/39/06/05/456390605.db2.gz JDYCSCHSOPSTIU-LBPRGKRZSA-N 2 1 326.282 3.368 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000298229956 456397746 /nfs/dbraw/zinc/39/77/46/456397746.db2.gz BFEXRKNWSLKUDI-AWEZNQCLSA-N 2 1 332.517 3.403 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000298229956 456397753 /nfs/dbraw/zinc/39/77/53/456397753.db2.gz BFEXRKNWSLKUDI-AWEZNQCLSA-N 2 1 332.517 3.403 20 0 EGADMP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000337592383 456406274 /nfs/dbraw/zinc/40/62/74/456406274.db2.gz ICJYBBLMUSXKQI-FQEVSTJZSA-N 2 1 345.531 3.230 20 0 EGADMP c1c2ccccc2oc1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000340370894 456419967 /nfs/dbraw/zinc/41/99/67/456419967.db2.gz IUOJOXRMUJTAPS-UHFFFAOYSA-N 2 1 349.478 3.340 20 0 EGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000303514335 456464800 /nfs/dbraw/zinc/46/48/00/456464800.db2.gz DGDCNNABTATLSF-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2c[nH]c3nccnc23)CC1 ZINC000290936167 456472132 /nfs/dbraw/zinc/47/21/32/456472132.db2.gz SRMHLRKDEDCQJJ-UHFFFAOYSA-N 2 1 335.455 3.021 20 0 EGADMP C[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccncc1F ZINC000340474008 456480672 /nfs/dbraw/zinc/48/06/72/456480672.db2.gz GBKNXHPAHUONBL-WMZOPIPTSA-N 2 1 327.447 3.436 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1csc(Cl)c1 ZINC000276560679 456515644 /nfs/dbraw/zinc/51/56/44/456515644.db2.gz RRIGGAAAALOVHP-NILFDRSVSA-N 2 1 328.909 3.430 20 0 EGADMP Cc1nnc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000282442840 456516138 /nfs/dbraw/zinc/51/61/38/456516138.db2.gz IELHYHBFWGZXMB-GRDNDAEWSA-N 2 1 330.501 3.408 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000298696014 456519925 /nfs/dbraw/zinc/51/99/25/456519925.db2.gz TYSUEJXWDBAHGD-HNNXBMFYSA-N 2 1 343.475 3.126 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000340586147 456548610 /nfs/dbraw/zinc/54/86/10/456548610.db2.gz JZSOSRRAIDJIBF-WOJBJXKFSA-N 2 1 339.483 3.099 20 0 EGADMP CCC[C@@](C)([NH3+])C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353204074 456557641 /nfs/dbraw/zinc/55/76/41/456557641.db2.gz LZJKURVXMMGFPT-RTWAWAEBSA-N 2 1 343.515 3.019 20 0 EGADMP CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)C1 ZINC000308642860 456571545 /nfs/dbraw/zinc/57/15/45/456571545.db2.gz XJHUEEROTHLZSK-MRXNPFEDSA-N 2 1 339.524 3.098 20 0 EGADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)C1 ZINC000308642859 456572240 /nfs/dbraw/zinc/57/22/40/456572240.db2.gz XJHUEEROTHLZSK-INIZCTEOSA-N 2 1 339.524 3.098 20 0 EGADMP C[C@H]([NH2+][C@H]1CCc2ccccc2NC1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000299089811 456604230 /nfs/dbraw/zinc/60/42/30/456604230.db2.gz UKFUVXDLXIKVJP-VPWXQRGCSA-N 2 1 341.499 3.183 20 0 EGADMP C[C@H]([NH2+][C@H]1CCc2ccccc2NC1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000299089811 456604234 /nfs/dbraw/zinc/60/42/34/456604234.db2.gz UKFUVXDLXIKVJP-VPWXQRGCSA-N 2 1 341.499 3.183 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(-c2cnn(C)c2)no1 ZINC000348322247 456622100 /nfs/dbraw/zinc/62/21/00/456622100.db2.gz PMRRFLJBFDZFBY-MAUKXSAKSA-N 2 1 345.491 3.065 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282812005 456632587 /nfs/dbraw/zinc/63/25/87/456632587.db2.gz OJSMVOTXMBXFQI-HNNXBMFYSA-N 2 1 332.517 3.312 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282812005 456632593 /nfs/dbraw/zinc/63/25/93/456632593.db2.gz OJSMVOTXMBXFQI-HNNXBMFYSA-N 2 1 332.517 3.312 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282812005 456632600 /nfs/dbraw/zinc/63/26/00/456632600.db2.gz OJSMVOTXMBXFQI-HNNXBMFYSA-N 2 1 332.517 3.312 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282812005 456632605 /nfs/dbraw/zinc/63/26/05/456632605.db2.gz OJSMVOTXMBXFQI-HNNXBMFYSA-N 2 1 332.517 3.312 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000321092337 456634539 /nfs/dbraw/zinc/63/45/39/456634539.db2.gz NQCRQKQQLUGQEE-CCKFTAQKSA-N 2 1 332.875 3.264 20 0 EGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)CC[C@@H]2CCCO2)CC1 ZINC000343466308 456639812 /nfs/dbraw/zinc/63/98/12/456639812.db2.gz IZTCFFZMOLPZMY-FQEVSTJZSA-N 2 1 345.531 3.220 20 0 EGADMP CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000343471124 456645182 /nfs/dbraw/zinc/64/51/82/456645182.db2.gz DQHJYAQEWPDUQM-QZTJIDSGSA-N 2 1 345.531 3.379 20 0 EGADMP COc1ccc(Br)c(C[N@@H+](C)CCCn2ccnc2)c1 ZINC000277088598 456676404 /nfs/dbraw/zinc/67/64/04/456676404.db2.gz MWXVOJFQLBVYCQ-UHFFFAOYSA-N 2 1 338.249 3.176 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CSCCc3ccccc32)CCCO1 ZINC000348421348 456679272 /nfs/dbraw/zinc/67/92/72/456679272.db2.gz MZLLZQAWCNEWBE-APWZRJJASA-N 2 1 334.529 3.108 20 0 EGADMP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CS1 ZINC000277099464 456681067 /nfs/dbraw/zinc/68/10/67/456681067.db2.gz GXSCYLSKJNDARX-RBUKOAKNSA-N 2 1 334.529 3.139 20 0 EGADMP COc1ccc([C@H](CNc2cc[nH+]cc2Cl)[NH+](C)C)cc1OC ZINC000277134403 456693001 /nfs/dbraw/zinc/69/30/01/456693001.db2.gz PUJSXKLDYXDJKL-HNNXBMFYSA-N 2 1 335.835 3.467 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)c1ccc(=O)[nH]n1 ZINC000353464934 456700535 /nfs/dbraw/zinc/70/05/35/456700535.db2.gz WCOWYDJUMRIIJT-INIZCTEOSA-N 2 1 340.471 3.265 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000353495850 456715023 /nfs/dbraw/zinc/71/50/23/456715023.db2.gz KBIBFLSEHZFEHD-GDBMZVCRSA-N 2 1 346.393 3.083 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000299514425 456715549 /nfs/dbraw/zinc/71/55/49/456715549.db2.gz CLSSQFXAFAUQNG-UHFFFAOYSA-N 2 1 334.851 3.196 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000299514425 456715553 /nfs/dbraw/zinc/71/55/53/456715553.db2.gz CLSSQFXAFAUQNG-UHFFFAOYSA-N 2 1 334.851 3.196 20 0 EGADMP CC(C)Cc1cccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000353516736 456729327 /nfs/dbraw/zinc/72/93/27/456729327.db2.gz JMCDGQGZGBQNTG-FXAWDEMLSA-N 2 1 345.531 3.123 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)cc1 ZINC000299578332 456732896 /nfs/dbraw/zinc/73/28/96/456732896.db2.gz CGPAPSQBLKIFBP-PMACEKPBSA-N 2 1 343.515 3.275 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000299578332 456732902 /nfs/dbraw/zinc/73/29/02/456732902.db2.gz CGPAPSQBLKIFBP-PMACEKPBSA-N 2 1 343.515 3.275 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000299578332 456732910 /nfs/dbraw/zinc/73/29/10/456732910.db2.gz CGPAPSQBLKIFBP-PMACEKPBSA-N 2 1 343.515 3.275 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1O ZINC000277279419 456757549 /nfs/dbraw/zinc/75/75/49/456757549.db2.gz SKLJJXAGDPFGCK-FUHWJXTLSA-N 2 1 334.504 3.432 20 0 EGADMP C[C@@H]1C[N@H+]([C@H]2CCCc3ccc(F)cc32)CCN1C1CC[NH+](C)CC1 ZINC000343692109 456768190 /nfs/dbraw/zinc/76/81/90/456768190.db2.gz AQWYUPLXAKAJOG-IERDGZPVSA-N 2 1 345.506 3.303 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000277313289 456773823 /nfs/dbraw/zinc/77/38/23/456773823.db2.gz USKYLZYDITUHCU-SJORKVTESA-N 2 1 344.421 3.025 20 0 EGADMP CC(C)(C)[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000343806810 456775445 /nfs/dbraw/zinc/77/54/45/456775445.db2.gz FHJRDXAQAWQWEC-PZJWPPBQSA-N 2 1 330.516 3.382 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000353585948 456784548 /nfs/dbraw/zinc/78/45/48/456784548.db2.gz ATNVXTGALNMVRA-ZLIDZYOXSA-N 2 1 328.500 3.005 20 0 EGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000338421754 456808022 /nfs/dbraw/zinc/80/80/22/456808022.db2.gz FAVAGSCHUZCRNK-UHFFFAOYSA-N 2 1 341.503 3.096 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(=O)[nH]n1 ZINC000353621329 456809303 /nfs/dbraw/zinc/80/93/03/456809303.db2.gz LZCZSHLQGXLYEW-RYRKJORJSA-N 2 1 340.471 3.134 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000277397996 456809734 /nfs/dbraw/zinc/80/97/34/456809734.db2.gz FGCMLOMYGSAWDR-UHFFFAOYSA-N 2 1 337.895 3.473 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000341298220 456837990 /nfs/dbraw/zinc/83/79/90/456837990.db2.gz YWYGAZRHZCLTAN-HOCLYGCPSA-N 2 1 349.906 3.017 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC[N@H+]1C ZINC000341298220 456837997 /nfs/dbraw/zinc/83/79/97/456837997.db2.gz YWYGAZRHZCLTAN-HOCLYGCPSA-N 2 1 349.906 3.017 20 0 EGADMP CCC[C@H](C)C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000349411883 456964411 /nfs/dbraw/zinc/96/44/11/456964411.db2.gz BMGYKYOVSBDEIQ-BZSNNMDCSA-N 2 1 326.525 3.013 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000353944292 456975201 /nfs/dbraw/zinc/97/52/01/456975201.db2.gz ZRGYSXIWGDZUTO-UHFFFAOYSA-N 2 1 338.455 3.037 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000353944292 456975205 /nfs/dbraw/zinc/97/52/05/456975205.db2.gz ZRGYSXIWGDZUTO-UHFFFAOYSA-N 2 1 338.455 3.037 20 0 EGADMP CC(C)C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000345689587 456987726 /nfs/dbraw/zinc/98/77/26/456987726.db2.gz JHXIXWVHBJXNRI-VQTJNVASSA-N 2 1 345.531 3.134 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)CC[C@H]2C)cc1 ZINC000354009378 457005874 /nfs/dbraw/zinc/00/58/74/457005874.db2.gz VGXKKNCFYKTKIS-QGZVFWFLSA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)CC[C@H]2C)cc1 ZINC000354009378 457005878 /nfs/dbraw/zinc/00/58/78/457005878.db2.gz VGXKKNCFYKTKIS-QGZVFWFLSA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1 ZINC000354009378 457005884 /nfs/dbraw/zinc/00/58/84/457005884.db2.gz VGXKKNCFYKTKIS-QGZVFWFLSA-N 2 1 331.504 3.085 20 0 EGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000339253095 457020289 /nfs/dbraw/zinc/02/02/89/457020289.db2.gz FBWBPLDFZLZNSG-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC000339253095 457020300 /nfs/dbraw/zinc/02/03/00/457020300.db2.gz FBWBPLDFZLZNSG-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC000339253095 457020307 /nfs/dbraw/zinc/02/03/07/457020307.db2.gz FBWBPLDFZLZNSG-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc2c(s1)C[C@H](C)CC2 ZINC000354057581 457036095 /nfs/dbraw/zinc/03/60/95/457036095.db2.gz XAACBXOWWMQEQH-UKRRQHHQSA-N 2 1 330.501 3.437 20 0 EGADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc2c(s1)C[C@H](C)CC2 ZINC000354057581 457036096 /nfs/dbraw/zinc/03/60/96/457036096.db2.gz XAACBXOWWMQEQH-UKRRQHHQSA-N 2 1 330.501 3.437 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341977931 457037414 /nfs/dbraw/zinc/03/74/14/457037414.db2.gz WWRGTZFTMXELOA-UHFFFAOYSA-N 2 1 327.472 3.246 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341977931 457037420 /nfs/dbraw/zinc/03/74/20/457037420.db2.gz WWRGTZFTMXELOA-UHFFFAOYSA-N 2 1 327.472 3.246 20 0 EGADMP CCOCc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1OC ZINC000354101810 457063312 /nfs/dbraw/zinc/06/33/12/457063312.db2.gz WPCYPOXDMBXCRX-IBGZPJMESA-N 2 1 346.515 3.395 20 0 EGADMP CCOCc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1OC ZINC000354101810 457063319 /nfs/dbraw/zinc/06/33/19/457063319.db2.gz WPCYPOXDMBXCRX-IBGZPJMESA-N 2 1 346.515 3.395 20 0 EGADMP CCOCc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1OC ZINC000354101810 457063327 /nfs/dbraw/zinc/06/33/27/457063327.db2.gz WPCYPOXDMBXCRX-IBGZPJMESA-N 2 1 346.515 3.395 20 0 EGADMP CCOCc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1OC ZINC000354101810 457063331 /nfs/dbraw/zinc/06/33/31/457063331.db2.gz WPCYPOXDMBXCRX-IBGZPJMESA-N 2 1 346.515 3.395 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OCc4ccncc4)cc3)C[C@@H]21 ZINC000342098739 457107378 /nfs/dbraw/zinc/10/73/78/457107378.db2.gz ISANXRKMNHTERL-SESVDKBCSA-N 2 1 337.467 3.220 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OCc4ccncc4)cc3)C[C@H]21 ZINC000342098736 457107719 /nfs/dbraw/zinc/10/77/19/457107719.db2.gz ISANXRKMNHTERL-CEWLAPEOSA-N 2 1 337.467 3.220 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)s1 ZINC000356680856 457115950 /nfs/dbraw/zinc/11/59/50/457115950.db2.gz QAGUYLVOGYELRB-ZDUSSCGKSA-N 2 1 337.533 3.308 20 0 EGADMP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000356688076 457119333 /nfs/dbraw/zinc/11/93/33/457119333.db2.gz WZRQGHGNPGTBAH-XLIONFOSSA-N 2 1 345.531 3.136 20 0 EGADMP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000356688082 457119618 /nfs/dbraw/zinc/11/96/18/457119618.db2.gz WZRQGHGNPGTBAH-YLJYHZDGSA-N 2 1 345.531 3.136 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342160037 457141467 /nfs/dbraw/zinc/14/14/67/457141467.db2.gz LBTBRZPCTZVZRT-DARAHFNDSA-N 2 1 335.879 3.035 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342160037 457141472 /nfs/dbraw/zinc/14/14/72/457141472.db2.gz LBTBRZPCTZVZRT-DARAHFNDSA-N 2 1 335.879 3.035 20 0 EGADMP CCC[C@@H](C)[C@H](CC)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000359949537 457166306 /nfs/dbraw/zinc/16/63/06/457166306.db2.gz JZGOHTDCQZOGQJ-XLIONFOSSA-N 2 1 345.531 3.379 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C[C@@H]21 ZINC000346843108 457183220 /nfs/dbraw/zinc/18/32/20/457183220.db2.gz WYWAMRRZRALKSH-RRQGHBQHSA-N 2 1 330.863 3.289 20 0 EGADMP CCNC(=O)C1(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCC1 ZINC000362986895 457184680 /nfs/dbraw/zinc/18/46/80/457184680.db2.gz OJZRATFVGDEYJL-UHFFFAOYSA-N 2 1 345.531 3.041 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356871756 457189765 /nfs/dbraw/zinc/18/97/65/457189765.db2.gz OYEFEZDJLCWKBG-OAHLLOKOSA-N 2 1 335.458 3.113 20 0 EGADMP C[NH2+]CC1CC[NH+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000347089715 457225142 /nfs/dbraw/zinc/22/51/42/457225142.db2.gz DFXMRDYOWBICJF-UHFFFAOYSA-N 2 1 331.485 3.154 20 0 EGADMP Cc1cnc([C@H](C)[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000357011734 457276165 /nfs/dbraw/zinc/27/61/65/457276165.db2.gz YAVUFZKARWDXDB-ZACQAIPSSA-N 2 1 335.492 3.255 20 0 EGADMP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000357019183 457280119 /nfs/dbraw/zinc/28/01/19/457280119.db2.gz VVTSSPURVRLOAO-RCCFBDPRSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000342422029 457294982 /nfs/dbraw/zinc/29/49/82/457294982.db2.gz YQKKWCOUNNMENV-MJGOQNOKSA-N 2 1 345.531 3.134 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(OC)nc2)CC1)CC1CC1 ZINC000357080327 457312006 /nfs/dbraw/zinc/31/20/06/457312006.db2.gz GGNRQCGPHMHUPF-UHFFFAOYSA-N 2 1 331.504 3.424 20 0 EGADMP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000357085782 457314710 /nfs/dbraw/zinc/31/47/10/457314710.db2.gz NZIBTVSFYPWFKE-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000351849195 457320103 /nfs/dbraw/zinc/32/01/03/457320103.db2.gz GELCKOBTQAVWPE-OVWQWFNUSA-N 2 1 339.483 3.075 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000351849195 457320109 /nfs/dbraw/zinc/32/01/09/457320109.db2.gz GELCKOBTQAVWPE-OVWQWFNUSA-N 2 1 339.483 3.075 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000347320024 457351223 /nfs/dbraw/zinc/35/12/23/457351223.db2.gz PKPFAOUVXANCLD-KXEVLKFVSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347320024 457351228 /nfs/dbraw/zinc/35/12/28/457351228.db2.gz PKPFAOUVXANCLD-KXEVLKFVSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347320024 457351231 /nfs/dbraw/zinc/35/12/31/457351231.db2.gz PKPFAOUVXANCLD-KXEVLKFVSA-N 2 1 327.516 3.112 20 0 EGADMP Cn1cnc2cc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc21 ZINC000355341659 457360203 /nfs/dbraw/zinc/36/02/03/457360203.db2.gz XTHXZJYLNAJWPI-BGYRXZFFSA-N 2 1 346.478 3.137 20 0 EGADMP Cn1cnc2cc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc21 ZINC000355341659 457360207 /nfs/dbraw/zinc/36/02/07/457360207.db2.gz XTHXZJYLNAJWPI-BGYRXZFFSA-N 2 1 346.478 3.137 20 0 EGADMP Cn1cnc2cc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)ccc21 ZINC000355341659 457360212 /nfs/dbraw/zinc/36/02/12/457360212.db2.gz XTHXZJYLNAJWPI-BGYRXZFFSA-N 2 1 346.478 3.137 20 0 EGADMP Cn1cnc2cc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)ccc21 ZINC000355341659 457360218 /nfs/dbraw/zinc/36/02/18/457360218.db2.gz XTHXZJYLNAJWPI-BGYRXZFFSA-N 2 1 346.478 3.137 20 0 EGADMP CCOC(=O)CCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352433914 457364435 /nfs/dbraw/zinc/36/44/35/457364435.db2.gz ZBGIJOIKKCWWMK-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)CCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352433914 457364436 /nfs/dbraw/zinc/36/44/36/457364436.db2.gz ZBGIJOIKKCWWMK-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)CCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352433914 457364437 /nfs/dbraw/zinc/36/44/37/457364437.db2.gz ZBGIJOIKKCWWMK-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000355661096 457397429 /nfs/dbraw/zinc/39/74/29/457397429.db2.gz RHLPNRCJTMXWBU-JFIYKMOQSA-N 2 1 331.504 3.105 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352478088 457398417 /nfs/dbraw/zinc/39/84/17/457398417.db2.gz RYGKPGWMMPBFTA-PBHICJAKSA-N 2 1 337.895 3.063 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352478088 457398423 /nfs/dbraw/zinc/39/84/23/457398423.db2.gz RYGKPGWMMPBFTA-PBHICJAKSA-N 2 1 337.895 3.063 20 0 EGADMP CCCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000347477021 457453487 /nfs/dbraw/zinc/45/34/87/457453487.db2.gz MSUHQBQLHJGVLA-LPHOPBHVSA-N 2 1 331.504 3.052 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc(-c4ccsc4)no3)C2)CC1 ZINC000374074806 457470427 /nfs/dbraw/zinc/47/04/27/457470427.db2.gz NOFJFHXIVDKSLO-UHFFFAOYSA-N 2 1 332.473 3.106 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC000369962353 457480873 /nfs/dbraw/zinc/48/08/73/457480873.db2.gz XSRLAZTYKBLKRR-VQTJNVASSA-N 2 1 343.515 3.017 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000369962353 457480880 /nfs/dbraw/zinc/48/08/80/457480880.db2.gz XSRLAZTYKBLKRR-VQTJNVASSA-N 2 1 343.515 3.017 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000369962353 457480888 /nfs/dbraw/zinc/48/08/88/457480888.db2.gz XSRLAZTYKBLKRR-VQTJNVASSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000342724773 457480943 /nfs/dbraw/zinc/48/09/43/457480943.db2.gz HIYCEVKWBVILLZ-GJYPPUQNSA-N 2 1 329.488 3.388 20 0 EGADMP COCC[N@H+](C)CC[C@@H](Nc1[nH]c2ccccc2[nH+]1)c1ccccc1 ZINC000342727441 457481605 /nfs/dbraw/zinc/48/16/05/457481605.db2.gz LILITNRKOOOWNC-QGZVFWFLSA-N 2 1 338.455 3.106 20 0 EGADMP COCC[N@@H+](C)CC[C@@H](Nc1[nH]c2ccccc2[nH+]1)c1ccccc1 ZINC000342727441 457481610 /nfs/dbraw/zinc/48/16/10/457481610.db2.gz LILITNRKOOOWNC-QGZVFWFLSA-N 2 1 338.455 3.106 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000342732731 457485388 /nfs/dbraw/zinc/48/53/88/457485388.db2.gz LTUYIXLLVKIWCP-UFYCRDLUSA-N 2 1 343.515 3.118 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1OC(F)F ZINC000397295134 457485926 /nfs/dbraw/zinc/48/59/26/457485926.db2.gz ZGVRJRJCIRIDEW-OBJOEFQTSA-N 2 1 328.403 3.102 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C[C@H](c1ncc[nH]1)c1ccccc1 ZINC000425314975 457493782 /nfs/dbraw/zinc/49/37/82/457493782.db2.gz KBJNXOSWFXWHPJ-AEFFLSMTSA-N 2 1 342.487 3.168 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000401768172 457530391 /nfs/dbraw/zinc/53/03/91/457530391.db2.gz MVLKEFNNNJCRBF-UHFFFAOYSA-N 2 1 328.641 3.168 20 0 EGADMP COc1ccc2oc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)cc2c1 ZINC000374257562 457549356 /nfs/dbraw/zinc/54/93/56/457549356.db2.gz ZBYHOZHPZHWAFK-ZAAXVRCTSA-N 2 1 344.455 3.125 20 0 EGADMP COc1ccc2oc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)cc2c1 ZINC000374257562 457549364 /nfs/dbraw/zinc/54/93/64/457549364.db2.gz ZBYHOZHPZHWAFK-ZAAXVRCTSA-N 2 1 344.455 3.125 20 0 EGADMP CN1CC[C@@H]2CC[N@H+](Cc3ccccc3OCC(F)(F)F)[C@@H]2C1 ZINC000361101242 457580937 /nfs/dbraw/zinc/58/09/37/457580937.db2.gz AYVATLVAMBMTAW-UKRRQHHQSA-N 2 1 328.378 3.154 20 0 EGADMP CN1CC[C@@H]2CC[N@@H+](Cc3ccccc3OCC(F)(F)F)[C@@H]2C1 ZINC000361101242 457580951 /nfs/dbraw/zinc/58/09/51/457580951.db2.gz AYVATLVAMBMTAW-UKRRQHHQSA-N 2 1 328.378 3.154 20 0 EGADMP CN1CC[C@@H]2CC[N@H+](Cc3ccccc3OCC(F)(F)F)[C@H]2C1 ZINC000361101241 457581536 /nfs/dbraw/zinc/58/15/36/457581536.db2.gz AYVATLVAMBMTAW-HIFRSBDPSA-N 2 1 328.378 3.154 20 0 EGADMP CN1CC[C@@H]2CC[N@@H+](Cc3ccccc3OCC(F)(F)F)[C@H]2C1 ZINC000361101241 457581541 /nfs/dbraw/zinc/58/15/41/457581541.db2.gz AYVATLVAMBMTAW-HIFRSBDPSA-N 2 1 328.378 3.154 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2ccccc2c1 ZINC000361165908 457624932 /nfs/dbraw/zinc/62/49/32/457624932.db2.gz ZIRASDYHYFXMKE-OXQOHEQNSA-N 2 1 339.483 3.078 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](n2cccn2)C1 ZINC000361239741 457663377 /nfs/dbraw/zinc/66/33/77/457663377.db2.gz XPQWIKQXTCUKJJ-LJQANCHMSA-N 2 1 326.488 3.288 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](n2cccn2)C1 ZINC000361239741 457663378 /nfs/dbraw/zinc/66/33/78/457663378.db2.gz XPQWIKQXTCUKJJ-LJQANCHMSA-N 2 1 326.488 3.288 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000361239741 457663380 /nfs/dbraw/zinc/66/33/80/457663380.db2.gz XPQWIKQXTCUKJJ-LJQANCHMSA-N 2 1 326.488 3.288 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000361239741 457663381 /nfs/dbraw/zinc/66/33/81/457663381.db2.gz XPQWIKQXTCUKJJ-LJQANCHMSA-N 2 1 326.488 3.288 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(OCC2CC2)cc1 ZINC000364718297 457679538 /nfs/dbraw/zinc/67/95/38/457679538.db2.gz NTHKCIUYPJKJQT-HMXCVIKNSA-N 2 1 344.499 3.159 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(OCC2CC2)cc1 ZINC000364718297 457679541 /nfs/dbraw/zinc/67/95/41/457679541.db2.gz NTHKCIUYPJKJQT-HMXCVIKNSA-N 2 1 344.499 3.159 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000370653445 457691618 /nfs/dbraw/zinc/69/16/18/457691618.db2.gz LZIFVBNBSTZBBA-ICSRJNTNSA-N 2 1 326.488 3.373 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCCOC[C@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000361338485 457699205 /nfs/dbraw/zinc/69/92/05/457699205.db2.gz FORIWIKPLCICKR-NRSPTQNISA-N 2 1 346.515 3.072 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCCOC[C@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000361338485 457699207 /nfs/dbraw/zinc/69/92/07/457699207.db2.gz FORIWIKPLCICKR-NRSPTQNISA-N 2 1 346.515 3.072 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000357813402 457699380 /nfs/dbraw/zinc/69/93/80/457699380.db2.gz GWNLDNDIPUXSAJ-QWFCFKBJSA-N 2 1 343.515 3.203 20 0 EGADMP CC[NH+](CC)CCC[NH+]1CCC([C@H]2CCCCCN2C(C)=O)CC1 ZINC000365189666 457729692 /nfs/dbraw/zinc/72/96/92/457729692.db2.gz LGLRJXDLYHSZRU-HXUWFJFHSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000358005511 457738042 /nfs/dbraw/zinc/73/80/42/457738042.db2.gz NHZGEQZEPDTZQC-UIFIKXQLSA-N 2 1 329.532 3.142 20 0 EGADMP CC(C)[C@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000358005511 457738044 /nfs/dbraw/zinc/73/80/44/457738044.db2.gz NHZGEQZEPDTZQC-UIFIKXQLSA-N 2 1 329.532 3.142 20 0 EGADMP CC(C)[C@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000358005511 457738049 /nfs/dbraw/zinc/73/80/49/457738049.db2.gz NHZGEQZEPDTZQC-UIFIKXQLSA-N 2 1 329.532 3.142 20 0 EGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000358005511 457738054 /nfs/dbraw/zinc/73/80/54/457738054.db2.gz NHZGEQZEPDTZQC-UIFIKXQLSA-N 2 1 329.532 3.142 20 0 EGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000358005511 457738058 /nfs/dbraw/zinc/73/80/58/457738058.db2.gz NHZGEQZEPDTZQC-UIFIKXQLSA-N 2 1 329.532 3.142 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000358026012 457743769 /nfs/dbraw/zinc/74/37/69/457743769.db2.gz UAZNQMCNLRRRCY-FGTMMUONSA-N 2 1 346.515 3.201 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)[C@@H](C)C1 ZINC000358059122 457760174 /nfs/dbraw/zinc/76/01/74/457760174.db2.gz HYHCJZNKBGWYIP-XJKSGUPXSA-N 2 1 338.879 3.321 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)[C@@H](C)C1 ZINC000358059122 457760176 /nfs/dbraw/zinc/76/01/76/457760176.db2.gz HYHCJZNKBGWYIP-XJKSGUPXSA-N 2 1 338.879 3.321 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000433120934 457762074 /nfs/dbraw/zinc/76/20/74/457762074.db2.gz POLIMXXVWZRCCE-PMACEKPBSA-N 2 1 343.515 3.203 20 0 EGADMP CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411201775 457828963 /nfs/dbraw/zinc/82/89/63/457828963.db2.gz SPIGDKBDJFWQHR-NRFANRHFSA-N 2 1 343.515 3.021 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H]3C[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000411382074 457869557 /nfs/dbraw/zinc/86/95/57/457869557.db2.gz DHNOBBGSDGZPIZ-LEWJYISDSA-N 2 1 345.506 3.172 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000361828740 457890563 /nfs/dbraw/zinc/89/05/63/457890563.db2.gz GTDCESOZUSDIQJ-IBGZPJMESA-N 2 1 338.499 3.344 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000361828740 457890573 /nfs/dbraw/zinc/89/05/73/457890573.db2.gz GTDCESOZUSDIQJ-IBGZPJMESA-N 2 1 338.499 3.344 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000361828740 457890584 /nfs/dbraw/zinc/89/05/84/457890584.db2.gz GTDCESOZUSDIQJ-IBGZPJMESA-N 2 1 338.499 3.344 20 0 EGADMP C[C@H]([NH2+]CCC(=O)NCC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411516486 457908447 /nfs/dbraw/zinc/90/84/47/457908447.db2.gz KCTQVOQHOZCBBO-HKUYNNGSSA-N 2 1 349.563 3.316 20 0 EGADMP O[C@]1(CN[C@H]2CCc3c2cccc3F)CC[N@H+](Cc2ccccc2)C1 ZINC000361891506 457934905 /nfs/dbraw/zinc/93/49/05/457934905.db2.gz HZVDLXABAKBFEH-SFTDATJTSA-N 2 1 340.442 3.040 20 0 EGADMP COCC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCO[C@H]1C ZINC000411651992 457939945 /nfs/dbraw/zinc/93/99/45/457939945.db2.gz DBIIYKAXHQGKCE-RXVVDRJESA-N 2 1 346.515 3.298 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+](C)C[C@H]3CC[NH+](C)C3)cc2)cs1 ZINC000434186413 457958996 /nfs/dbraw/zinc/95/89/96/457958996.db2.gz IIRZNHZEMBVVNG-KRWDZBQOSA-N 2 1 345.512 3.414 20 0 EGADMP Cc1nc(COc2ccc(C[NH+](C)C[C@H]3CC[N@H+](C)C3)cc2)cs1 ZINC000434186413 457959001 /nfs/dbraw/zinc/95/90/01/457959001.db2.gz IIRZNHZEMBVVNG-KRWDZBQOSA-N 2 1 345.512 3.414 20 0 EGADMP Cc1nc(COc2ccc(C[NH+](C)C[C@H]3CC[N@@H+](C)C3)cc2)cs1 ZINC000434186413 457959006 /nfs/dbraw/zinc/95/90/06/457959006.db2.gz IIRZNHZEMBVVNG-KRWDZBQOSA-N 2 1 345.512 3.414 20 0 EGADMP CC(C)[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1nncn1C ZINC000411717966 457960670 /nfs/dbraw/zinc/96/06/70/457960670.db2.gz IQGZMAMPQOAHFO-IBGZPJMESA-N 2 1 341.503 3.288 20 0 EGADMP c1cc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)ccc1C[NH+]1CCCCC1 ZINC000411726763 457964968 /nfs/dbraw/zinc/96/49/68/457964968.db2.gz ZCAJMKHBPZZNMM-NRFANRHFSA-N 2 1 344.499 3.054 20 0 EGADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000367894708 457992187 /nfs/dbraw/zinc/99/21/87/457992187.db2.gz FNLCLYNGMYBEJH-BMFZPTHFSA-N 2 1 334.426 3.483 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000358618610 458111127 /nfs/dbraw/zinc/11/11/27/458111127.db2.gz WRPWECNSHOYSQO-UHFFFAOYSA-N 2 1 331.504 3.021 20 0 EGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000375908519 458118287 /nfs/dbraw/zinc/11/82/87/458118287.db2.gz XAAKSAAHTDJEFJ-HXUWFJFHSA-N 2 1 345.531 3.074 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000435369414 458120945 /nfs/dbraw/zinc/12/09/45/458120945.db2.gz FFZAWBWGRXAYAQ-HZPDHXFCSA-N 2 1 326.488 3.339 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1OCC(F)(F)F ZINC000435369250 458121123 /nfs/dbraw/zinc/12/11/23/458121123.db2.gz DVCVRINQWIZLIX-TZMCWYRMSA-N 2 1 346.393 3.196 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)cc2)cs1 ZINC000435370535 458121978 /nfs/dbraw/zinc/12/19/78/458121978.db2.gz JFKMESWJSMOTRJ-CZUORRHYSA-N 2 1 331.485 3.200 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000435379754 458128954 /nfs/dbraw/zinc/12/89/54/458128954.db2.gz NIIWMWUJDCZUSV-INIZCTEOSA-N 2 1 346.496 3.377 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000435379754 458128955 /nfs/dbraw/zinc/12/89/55/458128955.db2.gz NIIWMWUJDCZUSV-INIZCTEOSA-N 2 1 346.496 3.377 20 0 EGADMP CCOc1c(OC)cc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435381664 458129601 /nfs/dbraw/zinc/12/96/01/458129601.db2.gz VGCWAXIELQJYCV-INIZCTEOSA-N 2 1 336.476 3.067 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000358655820 458132448 /nfs/dbraw/zinc/13/24/48/458132448.db2.gz BQERVUVPBLZBBA-SJORKVTESA-N 2 1 348.535 3.144 20 0 EGADMP Cc1ccc(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000435430511 458145230 /nfs/dbraw/zinc/14/52/30/458145230.db2.gz CFLADMZENFGEGL-IBGZPJMESA-N 2 1 338.499 3.181 20 0 EGADMP Cc1ccc(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000435430511 458145238 /nfs/dbraw/zinc/14/52/38/458145238.db2.gz CFLADMZENFGEGL-IBGZPJMESA-N 2 1 338.499 3.181 20 0 EGADMP c1nc(NC[C@H]2CCC[N@H+]2C2CCCCC2)cc(N2CCCC2)n1 ZINC000435585127 458166383 /nfs/dbraw/zinc/16/63/83/458166383.db2.gz PXQZKSPSAXPWDM-QGZVFWFLSA-N 2 1 329.492 3.286 20 0 EGADMP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]Cc2ccccc21 ZINC000428900087 458229460 /nfs/dbraw/zinc/22/94/60/458229460.db2.gz YLYKPOYMJQHTQM-FQEVSTJZSA-N 2 1 349.478 3.035 20 0 EGADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]Cc2ccccc21 ZINC000428900087 458229466 /nfs/dbraw/zinc/22/94/66/458229466.db2.gz YLYKPOYMJQHTQM-FQEVSTJZSA-N 2 1 349.478 3.035 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000376203022 458232242 /nfs/dbraw/zinc/23/22/42/458232242.db2.gz ILOKWUQPUWNAAO-PGRDOPGGSA-N 2 1 337.511 3.298 20 0 EGADMP C[N@@H+](CCCO[C@H]1CCCCO1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000358828786 458244158 /nfs/dbraw/zinc/24/41/58/458244158.db2.gz LIOKMSQJMLNQLX-RTWAWAEBSA-N 2 1 346.515 3.374 20 0 EGADMP C[NH+](CCCO[C@H]1CCCCO1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000358828786 458244162 /nfs/dbraw/zinc/24/41/62/458244162.db2.gz LIOKMSQJMLNQLX-RTWAWAEBSA-N 2 1 346.515 3.374 20 0 EGADMP C[NH+](CCCO[C@H]1CCCCO1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000358828786 458244168 /nfs/dbraw/zinc/24/41/68/458244168.db2.gz LIOKMSQJMLNQLX-RTWAWAEBSA-N 2 1 346.515 3.374 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000446972029 458251380 /nfs/dbraw/zinc/25/13/80/458251380.db2.gz JLQDTGWXUCMCHG-INIZCTEOSA-N 2 1 337.533 3.194 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000446972029 458251383 /nfs/dbraw/zinc/25/13/83/458251383.db2.gz JLQDTGWXUCMCHG-INIZCTEOSA-N 2 1 337.533 3.194 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429251754 458299174 /nfs/dbraw/zinc/29/91/74/458299174.db2.gz DJSAOVCPXROELQ-INIZCTEOSA-N 2 1 330.451 3.322 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429251754 458299177 /nfs/dbraw/zinc/29/91/77/458299177.db2.gz DJSAOVCPXROELQ-INIZCTEOSA-N 2 1 330.451 3.322 20 0 EGADMP C[NH+](C)CCOCC[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000447603090 458320127 /nfs/dbraw/zinc/32/01/27/458320127.db2.gz WNCZCZSXQHNXRQ-FQEVSTJZSA-N 2 1 339.439 3.085 20 0 EGADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459355405 458341427 /nfs/dbraw/zinc/34/14/27/458341427.db2.gz MRDJOHKOWLHOLO-GOSISDBHSA-N 2 1 340.471 3.155 20 0 EGADMP CC[N@@H+](CCn1cc(Cl)cn1)CC1CCN(c2ccccn2)CC1 ZINC000459371582 458347734 /nfs/dbraw/zinc/34/77/34/458347734.db2.gz YLSOJLKOBZZIQW-UHFFFAOYSA-N 2 1 347.894 3.170 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000429692754 458359187 /nfs/dbraw/zinc/35/91/87/458359187.db2.gz WCJUBDYVBPFWQC-INIZCTEOSA-N 2 1 327.472 3.413 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000429692754 458359192 /nfs/dbraw/zinc/35/91/92/458359192.db2.gz WCJUBDYVBPFWQC-INIZCTEOSA-N 2 1 327.472 3.413 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000429692754 458359195 /nfs/dbraw/zinc/35/91/95/458359195.db2.gz WCJUBDYVBPFWQC-INIZCTEOSA-N 2 1 327.472 3.413 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4cnc(C5CC5)nc4)C3)C2)cc1 ZINC000459540342 458404243 /nfs/dbraw/zinc/40/42/43/458404243.db2.gz DKBIUZWWEMGJOQ-QFIPXVFZSA-N 2 1 348.494 3.452 20 0 EGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423477374 458438677 /nfs/dbraw/zinc/43/86/77/458438677.db2.gz TXDOPNHMPUESDY-DOTOQJQBSA-N 2 1 338.455 3.301 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459661588 458439056 /nfs/dbraw/zinc/43/90/56/458439056.db2.gz MOSNMQJWHFXITI-HUUCEWRRSA-N 2 1 334.426 3.152 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459661588 458439059 /nfs/dbraw/zinc/43/90/59/458439059.db2.gz MOSNMQJWHFXITI-HUUCEWRRSA-N 2 1 334.426 3.152 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459661588 458439061 /nfs/dbraw/zinc/43/90/61/458439061.db2.gz MOSNMQJWHFXITI-HUUCEWRRSA-N 2 1 334.426 3.152 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000423479216 458439664 /nfs/dbraw/zinc/43/96/64/458439664.db2.gz URXZVRVCTCBCKK-LUYSREMJSA-N 3 1 327.516 3.289 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000423479216 458439668 /nfs/dbraw/zinc/43/96/68/458439668.db2.gz URXZVRVCTCBCKK-LUYSREMJSA-N 2 1 327.516 3.289 20 0 EGADMP Fc1ccccc1C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000423486763 458440823 /nfs/dbraw/zinc/44/08/23/458440823.db2.gz CDYVQBWNBCZUOX-ICSRJNTNSA-N 2 1 328.431 3.078 20 0 EGADMP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423532847 458453747 /nfs/dbraw/zinc/45/37/47/458453747.db2.gz WACFBXCLZTUWBD-HNNXBMFYSA-N 2 1 339.277 3.395 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(OCc2cccnc2)cc1 ZINC000430549182 458459139 /nfs/dbraw/zinc/45/91/39/458459139.db2.gz HWYYPBHBVDAKEL-HXUWFJFHSA-N 2 1 327.472 3.466 20 0 EGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000459735811 458463138 /nfs/dbraw/zinc/46/31/38/458463138.db2.gz PSFMKEBBYSOAIP-WMZOPIPTSA-N 2 1 331.504 3.342 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000423730357 458476622 /nfs/dbraw/zinc/47/66/22/458476622.db2.gz POCJRLQBVRNTPH-KSZLIROESA-N 2 1 335.536 3.150 20 0 EGADMP COC[C@@H]1CCCC[NH+]1CCCCC[N@@H+]1CCCC[C@H]1COC ZINC000452036850 458493425 /nfs/dbraw/zinc/49/34/25/458493425.db2.gz KMMUOGBDVZFAOE-OALUTQOASA-N 2 1 326.525 3.159 20 0 EGADMP C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000423832788 458493719 /nfs/dbraw/zinc/49/37/19/458493719.db2.gz SGTQIPVGNYHUTH-RUENVJTFSA-N 2 1 349.906 3.109 20 0 EGADMP C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000423832788 458493722 /nfs/dbraw/zinc/49/37/22/458493722.db2.gz SGTQIPVGNYHUTH-RUENVJTFSA-N 2 1 349.906 3.109 20 0 EGADMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000430949209 458509177 /nfs/dbraw/zinc/50/91/77/458509177.db2.gz MZHCQZIUQHYUSI-LPHOPBHVSA-N 2 1 337.467 3.351 20 0 EGADMP CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431082523 458526344 /nfs/dbraw/zinc/52/63/44/458526344.db2.gz VBJVWLZDGCEJGH-HNNXBMFYSA-N 2 1 334.439 3.102 20 0 EGADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000373603998 458548984 /nfs/dbraw/zinc/54/89/84/458548984.db2.gz NEEIUMWKELIFIC-UHFFFAOYSA-N 2 1 330.472 3.360 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@@H]([NH3+])CC2CCCCC2)[C@H](C)C1 ZINC000424143912 458570278 /nfs/dbraw/zinc/57/02/78/458570278.db2.gz KDLHRRRJQDBANH-QRQLOZEOSA-N 2 1 337.552 3.253 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@H]([NH3+])CC2CCCCC2)[C@H](C)C1 ZINC000424143911 458570668 /nfs/dbraw/zinc/57/06/68/458570668.db2.gz KDLHRRRJQDBANH-NEWSRXKRSA-N 2 1 337.552 3.253 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@H]([NH3+])CC2CCCCC2)C[C@@H]1C ZINC000424149872 458571755 /nfs/dbraw/zinc/57/17/55/458571755.db2.gz XSCDFAMRDCTBOC-WDSOQIARSA-N 2 1 337.552 3.396 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000438519991 458590719 /nfs/dbraw/zinc/59/07/19/458590719.db2.gz UQLSHXXZDQVDNV-UHFFFAOYSA-N 2 1 331.504 3.133 20 0 EGADMP OC1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCCC1 ZINC000438598754 458604671 /nfs/dbraw/zinc/60/46/71/458604671.db2.gz AXANKCFUYVXBMA-PMACEKPBSA-N 2 1 328.500 3.278 20 0 EGADMP OC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC1 ZINC000438598754 458604677 /nfs/dbraw/zinc/60/46/77/458604677.db2.gz AXANKCFUYVXBMA-PMACEKPBSA-N 2 1 328.500 3.278 20 0 EGADMP OC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCCC1 ZINC000438598754 458604680 /nfs/dbraw/zinc/60/46/80/458604680.db2.gz AXANKCFUYVXBMA-PMACEKPBSA-N 2 1 328.500 3.278 20 0 EGADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccccc1C(C)(C)C)CC[NH2+]CC2 ZINC000424290515 458605243 /nfs/dbraw/zinc/60/52/43/458605243.db2.gz MTAQUNLHTVOWFH-INIZCTEOSA-N 2 1 343.515 3.387 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cc2)n1 ZINC000424294387 458606991 /nfs/dbraw/zinc/60/69/91/458606991.db2.gz QBZSNNDQORCNRR-SFHVURJKSA-N 2 1 338.499 3.453 20 0 EGADMP Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424306926 458610597 /nfs/dbraw/zinc/61/05/97/458610597.db2.gz WKQZMAFMQMPEAQ-AEFFLSMTSA-N 2 1 330.451 3.055 20 0 EGADMP CCCc1csc(CN[C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)n1 ZINC000494045688 458619037 /nfs/dbraw/zinc/61/90/37/458619037.db2.gz BULODYJPKQHJOF-WBVHZDCISA-N 2 1 339.549 3.322 20 0 EGADMP COc1cccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1OC(C)C ZINC000424385622 458631204 /nfs/dbraw/zinc/63/12/04/458631204.db2.gz WFDXRVOTNJHQDM-INIZCTEOSA-N 2 1 332.488 3.446 20 0 EGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000546574353 458639814 /nfs/dbraw/zinc/63/98/14/458639814.db2.gz OWKOEPZNAVGEEE-UXHICEINSA-N 2 1 344.886 3.280 20 0 EGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000546574353 458639819 /nfs/dbraw/zinc/63/98/19/458639819.db2.gz OWKOEPZNAVGEEE-UXHICEINSA-N 2 1 344.886 3.280 20 0 EGADMP CC(C)c1cc(NCCCC[N@H+]2CCCC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000462791824 458654616 /nfs/dbraw/zinc/65/46/16/458654616.db2.gz RYAFBTMXGROGFZ-INIZCTEOSA-N 2 1 333.524 3.154 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432252528 458705755 /nfs/dbraw/zinc/70/57/55/458705755.db2.gz ZAOPABWYNSFSLU-ZDUSSCGKSA-N 2 1 349.277 3.459 20 0 EGADMP Clc1ccccc1CN1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530178675 458709343 /nfs/dbraw/zinc/70/93/43/458709343.db2.gz PXENXPYRAFPJOG-GOSISDBHSA-N 2 1 333.907 3.179 20 0 EGADMP Clc1ccccc1CN1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530178676 458709629 /nfs/dbraw/zinc/70/96/29/458709629.db2.gz PXENXPYRAFPJOG-SFHVURJKSA-N 2 1 333.907 3.179 20 0 EGADMP Brc1ccc2[nH+]ccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000503536966 458713529 /nfs/dbraw/zinc/71/35/29/458713529.db2.gz LOGAEWCJGHYFOX-KBPBESRZSA-N 2 1 346.272 3.458 20 0 EGADMP Brc1ccc2[nH+]ccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000503536966 458713537 /nfs/dbraw/zinc/71/35/37/458713537.db2.gz LOGAEWCJGHYFOX-KBPBESRZSA-N 2 1 346.272 3.458 20 0 EGADMP COc1ccc2ccccc2c1CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432367534 458725063 /nfs/dbraw/zinc/72/50/63/458725063.db2.gz HLRHECXUOHETLC-KRWDZBQOSA-N 2 1 342.483 3.439 20 0 EGADMP COc1ccc2ccccc2c1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432367534 458725075 /nfs/dbraw/zinc/72/50/75/458725075.db2.gz HLRHECXUOHETLC-KRWDZBQOSA-N 2 1 342.483 3.439 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C12CCCCC2 ZINC000432430665 458739237 /nfs/dbraw/zinc/73/92/37/458739237.db2.gz UDXNGSVNSGHPTB-IPMKNSEASA-N 2 1 338.536 3.205 20 0 EGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCOCC(F)(F)F ZINC000471842002 458740791 /nfs/dbraw/zinc/74/07/91/458740791.db2.gz BYHDFAFRUNPZJF-IAGOWNOFSA-N 2 1 344.421 3.237 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH+](C)Cc1ccccc1 ZINC000439956518 458769834 /nfs/dbraw/zinc/76/98/34/458769834.db2.gz MIFMPPWQXTTWDM-PXNSSMCTSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000439956518 458769837 /nfs/dbraw/zinc/76/98/37/458769837.db2.gz MIFMPPWQXTTWDM-PXNSSMCTSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000439956518 458769839 /nfs/dbraw/zinc/76/98/39/458769839.db2.gz MIFMPPWQXTTWDM-PXNSSMCTSA-N 2 1 343.515 3.030 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000472273658 458778900 /nfs/dbraw/zinc/77/89/00/458778900.db2.gz HGFPSHAWGKOOAD-GOSISDBHSA-N 2 1 340.895 3.152 20 0 EGADMP Cc1[nH+]c2ccccc2c(NCCC[N@H+]2CCCO[C@@H](C)C2)c1C ZINC000432880530 458806664 /nfs/dbraw/zinc/80/66/64/458806664.db2.gz OGJUEPVJZDHACG-HNNXBMFYSA-N 2 1 327.472 3.186 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000473319745 458825576 /nfs/dbraw/zinc/82/55/76/458825576.db2.gz JFABBKNYPGRSGN-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)c2cc(C)n(C)c2C)CC1 ZINC000530778293 458826198 /nfs/dbraw/zinc/82/61/98/458826198.db2.gz SAMBPXQNCNGXMN-UHFFFAOYSA-N 2 1 333.520 3.269 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)c2cc(C)n(C)c2C)CC1 ZINC000530778293 458826201 /nfs/dbraw/zinc/82/62/01/458826201.db2.gz SAMBPXQNCNGXMN-UHFFFAOYSA-N 2 1 333.520 3.269 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2nc(-c3ccccc3)no2)C[C@@H]1C ZINC000530901694 458843114 /nfs/dbraw/zinc/84/31/14/458843114.db2.gz QJHHTBUXHGNKMV-WMZOPIPTSA-N 2 1 342.487 3.474 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2nc(-c3ccccc3)no2)C[C@@H]1C ZINC000530901694 458843121 /nfs/dbraw/zinc/84/31/21/458843121.db2.gz QJHHTBUXHGNKMV-WMZOPIPTSA-N 2 1 342.487 3.474 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2nc(-c3ccccc3)no2)C[C@@H]1C ZINC000530901694 458843128 /nfs/dbraw/zinc/84/31/28/458843128.db2.gz QJHHTBUXHGNKMV-WMZOPIPTSA-N 2 1 342.487 3.474 20 0 EGADMP CCC[C@H]1CCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475101133 458918365 /nfs/dbraw/zinc/91/83/65/458918365.db2.gz MFNGZVMXRXRQSS-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000576936943 458951321 /nfs/dbraw/zinc/95/13/21/458951321.db2.gz OKHVMLMIJLDRKA-RDJZCZTQSA-N 2 1 344.503 3.228 20 0 EGADMP CCc1cccc(Cl)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000475700107 458958868 /nfs/dbraw/zinc/95/88/68/458958868.db2.gz MPJHNCMMFLZCBX-OXQOHEQNSA-N 2 1 349.950 3.360 20 0 EGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000475700107 458958877 /nfs/dbraw/zinc/95/88/77/458958877.db2.gz MPJHNCMMFLZCBX-OXQOHEQNSA-N 2 1 349.950 3.360 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000475726993 458961043 /nfs/dbraw/zinc/96/10/43/458961043.db2.gz WWZAEVIXZHEDAB-HOTGVXAUSA-N 2 1 337.508 3.466 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000475726993 458961053 /nfs/dbraw/zinc/96/10/53/458961053.db2.gz WWZAEVIXZHEDAB-HOTGVXAUSA-N 2 1 337.508 3.466 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1(C)C ZINC000442881330 459051465 /nfs/dbraw/zinc/05/14/65/459051465.db2.gz ZFLASCDSXBFAMS-FPOVZHCZSA-N 2 1 329.532 3.112 20 0 EGADMP CC[C@]1(C)C[NH+](CCCCC[N@H+]2CCO[C@](C)(CC)C2)CCO1 ZINC000442886115 459052657 /nfs/dbraw/zinc/05/26/57/459052657.db2.gz PZQZUPPHUFFCIP-RTBURBONSA-N 2 1 326.525 3.159 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000532236601 459052802 /nfs/dbraw/zinc/05/28/02/459052802.db2.gz IVQAWHNGYKILKW-DZKIICNBSA-N 2 1 337.895 3.438 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000532236601 459052808 /nfs/dbraw/zinc/05/28/08/459052808.db2.gz IVQAWHNGYKILKW-DZKIICNBSA-N 2 1 337.895 3.438 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000442928481 459062158 /nfs/dbraw/zinc/06/21/58/459062158.db2.gz PLPKBUBMXUXZRO-KRWDZBQOSA-N 2 1 325.456 3.221 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](C(C)(C)C)C3)CC2)CC1 ZINC000520607717 459077702 /nfs/dbraw/zinc/07/77/02/459077702.db2.gz IHUHYIOPMCVAKX-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000443057499 459079608 /nfs/dbraw/zinc/07/96/08/459079608.db2.gz GSMXLQSGBRNWAO-GOSISDBHSA-N 2 1 343.515 3.413 20 0 EGADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443056838 459079630 /nfs/dbraw/zinc/07/96/30/459079630.db2.gz DJYAFHQXJJACGU-CVEARBPZSA-N 2 1 343.471 3.013 20 0 EGADMP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443064788 459081070 /nfs/dbraw/zinc/08/10/70/459081070.db2.gz YWSVGHUYFYXCMN-HIFRSBDPSA-N 2 1 348.878 3.436 20 0 EGADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060126 459081812 /nfs/dbraw/zinc/08/18/12/459081812.db2.gz OFDWWZQEWWPBPO-CHWSQXEVSA-N 2 1 343.393 3.093 20 0 EGADMP FC(F)(F)Cn1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000577928039 459117361 /nfs/dbraw/zinc/11/73/61/459117361.db2.gz FJRDQWVDECWAJH-UHFFFAOYSA-N 2 1 344.425 3.332 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])N2CCCCC2)cc1 ZINC000567642369 459138887 /nfs/dbraw/zinc/13/88/87/459138887.db2.gz QLGWTBMZCJLGQF-ACRUOGEOSA-N 2 1 345.531 3.472 20 0 EGADMP [NH3+][C@H]1C[C@H]([NH2+]CCOc2ncccc2C(F)(F)F)c2ccccc21 ZINC000567647771 459138981 /nfs/dbraw/zinc/13/89/81/459138981.db2.gz YZAZCOZAUZNZTK-GJZGRUSLSA-N 2 1 337.345 3.214 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000567678264 459143333 /nfs/dbraw/zinc/14/33/33/459143333.db2.gz OJFBFACOMRVYNT-SVFBPWRDSA-N 2 1 332.532 3.328 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000567678536 459143488 /nfs/dbraw/zinc/14/34/88/459143488.db2.gz VJYJJNATKOXEMJ-APWZRJJASA-N 2 1 338.923 3.345 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000567696627 459148696 /nfs/dbraw/zinc/14/86/96/459148696.db2.gz DQLJUPAPTVPKOM-VDZJLULYSA-N 2 1 336.907 3.411 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000567696627 459148700 /nfs/dbraw/zinc/14/87/00/459148700.db2.gz DQLJUPAPTVPKOM-VDZJLULYSA-N 2 1 336.907 3.411 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@@H]2C[C@H](OCC)[C@H]2Oc2ccccc2)CC1 ZINC000480332603 459194845 /nfs/dbraw/zinc/19/48/45/459194845.db2.gz LBRDYSDEBNYCIF-AABGKKOBSA-N 2 1 332.488 3.075 20 0 EGADMP CN(CCC[N@@H+](C)Cc1ccc(F)c(C(F)(F)F)c1)CC[NH+](C)C ZINC000578401132 459195112 /nfs/dbraw/zinc/19/51/12/459195112.db2.gz BNKBNQWTLRWDRW-UHFFFAOYSA-N 2 1 349.416 3.160 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2nc3ccccc3n2C)CC1 ZINC000533271655 459211335 /nfs/dbraw/zinc/21/13/35/459211335.db2.gz KSEVJXZXZSNZMP-UHFFFAOYSA-N 2 1 328.504 3.168 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000590787039 459220002 /nfs/dbraw/zinc/22/00/02/459220002.db2.gz QXJHCFYXBHYSSP-UHFFFAOYSA-N 2 1 334.489 3.350 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000590787039 459220006 /nfs/dbraw/zinc/22/00/06/459220006.db2.gz QXJHCFYXBHYSSP-UHFFFAOYSA-N 2 1 334.489 3.350 20 0 EGADMP CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000559388391 459256536 /nfs/dbraw/zinc/25/65/36/459256536.db2.gz ZTBZPURXDRXESN-RTBURBONSA-N 2 1 338.923 3.342 20 0 EGADMP CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000559388391 459256541 /nfs/dbraw/zinc/25/65/41/459256541.db2.gz ZTBZPURXDRXESN-RTBURBONSA-N 2 1 338.923 3.342 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)C[C@@H]1c1ccccc1 ZINC000559753451 459275706 /nfs/dbraw/zinc/27/57/06/459275706.db2.gz NSRGKSNGMRIIQM-YESZJQIVSA-N 2 1 341.421 3.048 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)C[C@@H]1c1ccccc1 ZINC000559753451 459275709 /nfs/dbraw/zinc/27/57/09/459275709.db2.gz NSRGKSNGMRIIQM-YESZJQIVSA-N 2 1 341.421 3.048 20 0 EGADMP C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000496672700 459280948 /nfs/dbraw/zinc/28/09/48/459280948.db2.gz MEQYXOBETOZANS-INIZCTEOSA-N 2 1 331.460 3.122 20 0 EGADMP C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000496672700 459280949 /nfs/dbraw/zinc/28/09/49/459280949.db2.gz MEQYXOBETOZANS-INIZCTEOSA-N 2 1 331.460 3.122 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]1SC ZINC000590955475 459281047 /nfs/dbraw/zinc/28/10/47/459281047.db2.gz RGRNZBBBKAFIHK-VNTMZGSJSA-N 2 1 348.556 3.397 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496719216 459299386 /nfs/dbraw/zinc/29/93/86/459299386.db2.gz UDPHLCYZIULVMS-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000482630095 459318264 /nfs/dbraw/zinc/31/82/64/459318264.db2.gz MLJHUCVVUAMHAB-OXQOHEQNSA-N 3 1 349.950 3.482 20 0 EGADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000482630095 459318269 /nfs/dbraw/zinc/31/82/69/459318269.db2.gz MLJHUCVVUAMHAB-OXQOHEQNSA-N 2 1 349.950 3.482 20 0 EGADMP CC[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C1CCCC1 ZINC000568652718 459324833 /nfs/dbraw/zinc/32/48/33/459324833.db2.gz UVAPSKRRPLNUDR-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000582346182 459349964 /nfs/dbraw/zinc/34/99/64/459349964.db2.gz IUQHMWWVQRSCHN-AWEZNQCLSA-N 2 1 332.517 3.402 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000582346182 459349967 /nfs/dbraw/zinc/34/99/67/459349967.db2.gz IUQHMWWVQRSCHN-AWEZNQCLSA-N 2 1 332.517 3.402 20 0 EGADMP Cc1cc([NH+]2CCCCCC2)ccc1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000568859786 459357345 /nfs/dbraw/zinc/35/73/45/459357345.db2.gz VIKZXOFMDDJUFO-LJQANCHMSA-N 2 1 331.504 3.242 20 0 EGADMP Fc1ccc(-c2noc([C@@H]3CCC[N@@H+](CC[C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000582537133 459382158 /nfs/dbraw/zinc/38/21/58/459382158.db2.gz PGBWSAJVAIMLLZ-GDBMZVCRSA-N 2 1 344.434 3.055 20 0 EGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000582653554 459402666 /nfs/dbraw/zinc/40/26/66/459402666.db2.gz XISZCRHAZNXCMH-IUODEOHRSA-N 2 1 345.409 3.386 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c(OC[C@H]2CCOC2)c1 ZINC000484646146 459424550 /nfs/dbraw/zinc/42/45/50/459424550.db2.gz OPRVTUDHLKSUAE-DOADOZAASA-N 2 1 346.515 3.229 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(OC[C@H]2CCOC2)c1 ZINC000484646146 459424551 /nfs/dbraw/zinc/42/45/51/459424551.db2.gz OPRVTUDHLKSUAE-DOADOZAASA-N 2 1 346.515 3.229 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3conc3Cc3ccccc3)C2)CC1 ZINC000569704462 459498004 /nfs/dbraw/zinc/49/80/04/459498004.db2.gz MAHWMCPRNLBPRQ-LJQANCHMSA-N 2 1 339.483 3.429 20 0 EGADMP CCCC[N@@H+](C)CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000497433592 459536508 /nfs/dbraw/zinc/53/65/08/459536508.db2.gz GSQZWMVELABPCD-HKUYNNGSSA-N 2 1 348.535 3.017 20 0 EGADMP C[C@@H]([NH2+]CC(=O)NC1CCCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529359 459568088 /nfs/dbraw/zinc/56/80/88/459568088.db2.gz YZLYDOYLEPDDPP-SJORKVTESA-N 2 1 335.536 3.068 20 0 EGADMP C[C@@H]([NH2+]CC(=O)NC1CCCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529359 459568091 /nfs/dbraw/zinc/56/80/91/459568091.db2.gz YZLYDOYLEPDDPP-SJORKVTESA-N 2 1 335.536 3.068 20 0 EGADMP CCCC[N@H+](C)CC1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000498909618 459610000 /nfs/dbraw/zinc/61/00/00/459610000.db2.gz JEQVTQZVWHRTSV-UHFFFAOYSA-N 2 1 345.535 3.415 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000498909618 459610006 /nfs/dbraw/zinc/61/00/06/459610006.db2.gz JEQVTQZVWHRTSV-UHFFFAOYSA-N 2 1 345.535 3.415 20 0 EGADMP C[N@@H+](Cc1cccc(C(=O)OC(C)(C)C)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000500070397 459663525 /nfs/dbraw/zinc/66/35/25/459663525.db2.gz ASBUXCFDANUNEW-QGZVFWFLSA-N 2 1 332.488 3.416 20 0 EGADMP C[N@H+](Cc1cccc(C(=O)OC(C)(C)C)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000500070397 459663531 /nfs/dbraw/zinc/66/35/31/459663531.db2.gz ASBUXCFDANUNEW-QGZVFWFLSA-N 2 1 332.488 3.416 20 0 EGADMP C[NH+](Cc1cccc(C(=O)OC(C)(C)C)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000500070397 459663533 /nfs/dbraw/zinc/66/35/33/459663533.db2.gz ASBUXCFDANUNEW-QGZVFWFLSA-N 2 1 332.488 3.416 20 0 EGADMP C[NH+](Cc1cccc(C(=O)OC(C)(C)C)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000500070397 459663538 /nfs/dbraw/zinc/66/35/38/459663538.db2.gz ASBUXCFDANUNEW-QGZVFWFLSA-N 2 1 332.488 3.416 20 0 EGADMP C[C@H](C[C@H](C)[NH3+])NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000573727697 459724548 /nfs/dbraw/zinc/72/45/48/459724548.db2.gz RLVJFGQRAPWCPB-DLBZAZTESA-N 2 1 339.483 3.174 20 0 EGADMP NC1(C[NH2+]Cc2ccc(F)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000584398259 459728277 /nfs/dbraw/zinc/72/82/77/459728277.db2.gz UMTNRVPJOGVMMI-UHFFFAOYSA-N 2 1 345.437 3.048 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)Nc1ccn2ccnc2c1 ZINC000584440011 459737212 /nfs/dbraw/zinc/73/72/12/459737212.db2.gz XXYJLCYIXKFYHM-SFHVURJKSA-N 2 1 349.438 3.120 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000501784200 459743376 /nfs/dbraw/zinc/74/33/76/459743376.db2.gz CXESEBBYKSSNAG-MOPGFXCFSA-N 2 1 336.907 3.194 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000501784200 459743381 /nfs/dbraw/zinc/74/33/81/459743381.db2.gz CXESEBBYKSSNAG-MOPGFXCFSA-N 2 1 336.907 3.194 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000501784200 459743388 /nfs/dbraw/zinc/74/33/88/459743388.db2.gz CXESEBBYKSSNAG-MOPGFXCFSA-N 2 1 336.907 3.194 20 0 EGADMP C[NH+](C)CCCCC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000584503444 459754160 /nfs/dbraw/zinc/75/41/60/459754160.db2.gz KTPHTCQCCGONSO-HXUWFJFHSA-N 2 1 345.531 3.137 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527857487 459759700 /nfs/dbraw/zinc/75/97/00/459759700.db2.gz CBDBWSHDNBAIHO-GOSISDBHSA-N 2 1 339.886 3.084 20 0 EGADMP C[C@@H](NCC1(C[NH+](C)C)CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000544897492 459790033 /nfs/dbraw/zinc/79/00/33/459790033.db2.gz MVIQUNMFNUKNQP-GOSISDBHSA-N 2 1 347.547 3.400 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000574425143 459818094 /nfs/dbraw/zinc/81/80/94/459818094.db2.gz VKZTXKWDJNUZFS-LJQANCHMSA-N 2 1 344.503 3.325 20 0 EGADMP C[C@@H](NCC1(C[NH+](C)C)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000545520822 459836471 /nfs/dbraw/zinc/83/64/71/459836471.db2.gz UELOVEMQGFDMPL-GOSISDBHSA-N 2 1 347.547 3.400 20 0 EGADMP C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000545520822 459836476 /nfs/dbraw/zinc/83/64/76/459836476.db2.gz UELOVEMQGFDMPL-GOSISDBHSA-N 2 1 347.547 3.400 20 0 EGADMP C[C@@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000574865738 459883752 /nfs/dbraw/zinc/88/37/52/459883752.db2.gz PMVXVOZLTNMHFP-JFBXJRRNSA-N 2 1 348.453 3.465 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)CC[N@H+]1C ZINC000593723570 459964184 /nfs/dbraw/zinc/96/41/84/459964184.db2.gz YNFFOBXLIKVFTL-HGHGUNKESA-N 2 1 346.515 3.358 20 0 EGADMP COC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602506341 459973439 /nfs/dbraw/zinc/97/34/39/459973439.db2.gz OICDZMSXGJZENI-AEFFLSMTSA-N 2 1 330.472 3.143 20 0 EGADMP COC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602506341 459973447 /nfs/dbraw/zinc/97/34/47/459973447.db2.gz OICDZMSXGJZENI-AEFFLSMTSA-N 2 1 330.472 3.143 20 0 EGADMP CCOC(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)[nH]1 ZINC000602563944 460000210 /nfs/dbraw/zinc/00/02/10/460000210.db2.gz IWPAFGKQXGHNPL-UHFFFAOYSA-N 2 1 333.476 3.078 20 0 EGADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C2 ZINC000621781161 460061430 /nfs/dbraw/zinc/06/14/30/460061430.db2.gz ZRACYVRZTXJOFV-GCJKJVERSA-N 2 1 349.478 3.495 20 0 EGADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C2 ZINC000621781161 460061433 /nfs/dbraw/zinc/06/14/33/460061433.db2.gz ZRACYVRZTXJOFV-GCJKJVERSA-N 2 1 349.478 3.495 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NCC(C)(C)C)CC1 ZINC000625220757 460077995 /nfs/dbraw/zinc/07/79/95/460077995.db2.gz IEDZHXLNYAOAAX-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NCC(C)(C)C)CC1 ZINC000625220757 460078001 /nfs/dbraw/zinc/07/80/01/460078001.db2.gz IEDZHXLNYAOAAX-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CCc1ccc(C[N@@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)s1 ZINC000576813838 460217544 /nfs/dbraw/zinc/21/75/44/460217544.db2.gz PSXDCTOBSZCUOT-UHFFFAOYSA-N 2 1 335.561 3.303 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2)C1 ZINC000599310369 460224288 /nfs/dbraw/zinc/22/42/88/460224288.db2.gz WKUZYXROTLSRAF-XLIONFOSSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000599310369 460224294 /nfs/dbraw/zinc/22/42/94/460224294.db2.gz WKUZYXROTLSRAF-XLIONFOSSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3C)cc2)C1 ZINC000599310369 460224301 /nfs/dbraw/zinc/22/43/01/460224301.db2.gz WKUZYXROTLSRAF-XLIONFOSSA-N 2 1 343.515 3.019 20 0 EGADMP COC(=O)CCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000599317575 460228349 /nfs/dbraw/zinc/22/83/49/460228349.db2.gz CMIXSSPFHOAJOQ-PMACEKPBSA-N 2 1 344.499 3.316 20 0 EGADMP COC(=O)CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000599317575 460228353 /nfs/dbraw/zinc/22/83/53/460228353.db2.gz CMIXSSPFHOAJOQ-PMACEKPBSA-N 2 1 344.499 3.316 20 0 EGADMP COC(=O)CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000599317575 460228357 /nfs/dbraw/zinc/22/83/57/460228357.db2.gz CMIXSSPFHOAJOQ-PMACEKPBSA-N 2 1 344.499 3.316 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000603320046 460284318 /nfs/dbraw/zinc/28/43/18/460284318.db2.gz OCEGIAVSCGKXOF-KRWDZBQOSA-N 2 1 345.531 3.379 20 0 EGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc3ccccc3c2)CC1 ZINC000619177660 460290475 /nfs/dbraw/zinc/29/04/75/460290475.db2.gz YPRZHBZFTWSGOQ-UHFFFAOYSA-N 2 1 346.434 3.239 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cscc3Cl)C2)CC1 ZINC000611276395 460327493 /nfs/dbraw/zinc/32/74/93/460327493.db2.gz PSZOIFWTYICDAI-HNNXBMFYSA-N 2 1 327.925 3.002 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cscc3Cl)C2)CC1 ZINC000611276395 460327494 /nfs/dbraw/zinc/32/74/94/460327494.db2.gz PSZOIFWTYICDAI-HNNXBMFYSA-N 2 1 327.925 3.002 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000625996439 460331695 /nfs/dbraw/zinc/33/16/95/460331695.db2.gz CBRRPOVMNJWOQS-SFHVURJKSA-N 2 1 346.519 3.466 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000626063815 460360124 /nfs/dbraw/zinc/36/01/24/460360124.db2.gz RDLZANLIKYPTFO-VAMGGRTRSA-N 2 1 343.515 3.017 20 0 EGADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626101397 460370651 /nfs/dbraw/zinc/37/06/51/460370651.db2.gz RKOFHWDHPHGHAC-HZPDHXFCSA-N 2 1 331.287 3.491 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626101397 460370654 /nfs/dbraw/zinc/37/06/54/460370654.db2.gz RKOFHWDHPHGHAC-HZPDHXFCSA-N 2 1 331.287 3.491 20 0 EGADMP CC1(C)C[NH+](C/C=C\C[N@@H+]2CC(C)(C)OCC2(C)C)C(C)(C)CO1 ZINC000604390527 460418443 /nfs/dbraw/zinc/41/84/43/460418443.db2.gz ZACVBUYKVOIBIM-KTKRTIGZSA-N 2 1 338.536 3.321 20 0 EGADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000631576429 460452658 /nfs/dbraw/zinc/45/26/58/460452658.db2.gz AHRBBZOIKZQGET-GOSISDBHSA-N 2 1 342.531 3.106 20 0 EGADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000631582457 460457097 /nfs/dbraw/zinc/45/70/97/460457097.db2.gz KFPUDDQEEDPHRL-MRXNPFEDSA-N 2 1 329.488 3.189 20 0 EGADMP Cc1ccc2ncc(C[N@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)cc2c1 ZINC000629539931 460800560 /nfs/dbraw/zinc/80/05/60/460800560.db2.gz SOHVUXAHRCYUCQ-FBBABVLZSA-N 2 1 339.483 3.262 20 0 EGADMP CSc1ccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629561624 460809877 /nfs/dbraw/zinc/80/98/77/460809877.db2.gz JUAWZDICYIUQPC-IUODEOHRSA-N 2 1 348.434 3.246 20 0 EGADMP CSc1ccc(OCC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629561624 460809881 /nfs/dbraw/zinc/80/98/81/460809881.db2.gz JUAWZDICYIUQPC-IUODEOHRSA-N 2 1 348.434 3.246 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000617345117 460821647 /nfs/dbraw/zinc/82/16/47/460821647.db2.gz XKHZQEDLCMEZSO-IBGZPJMESA-N 2 1 343.515 3.275 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)CC[C@@H]1C(F)(F)F ZINC000629654734 460848990 /nfs/dbraw/zinc/84/89/90/460848990.db2.gz QAILWKCGMNIUBE-RDJZCZTQSA-N 2 1 342.405 3.435 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCC3CC3)cc2)CC[C@@H]1C(F)(F)F ZINC000629654734 460848997 /nfs/dbraw/zinc/84/89/97/460848997.db2.gz QAILWKCGMNIUBE-RDJZCZTQSA-N 2 1 342.405 3.435 20 0 EGADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc(OC)c1OC ZINC000624119697 460868064 /nfs/dbraw/zinc/86/80/64/460868064.db2.gz HJAGUZXOBJVVOO-CABCVRRESA-N 2 1 336.476 3.095 20 0 EGADMP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000624121896 460870410 /nfs/dbraw/zinc/87/04/10/460870410.db2.gz FUYJFGMVLPPGCO-AZUAARDMSA-N 2 1 341.503 3.039 20 0 EGADMP C[NH+]1CCN(Cc2ccccc2-c2cccc(C[NH2+]C3CC3)c2)CC1 ZINC000629735142 460894671 /nfs/dbraw/zinc/89/46/71/460894671.db2.gz JWPOYZAVHZQYRQ-UHFFFAOYSA-N 2 1 335.495 3.353 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC[N@@H+]1C ZINC000624226701 460920614 /nfs/dbraw/zinc/92/06/14/460920614.db2.gz XCJCSHQZKUGVKJ-BPLDGKMQSA-N 2 1 325.859 3.130 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC[N@H+]1C ZINC000624226701 460920620 /nfs/dbraw/zinc/92/06/20/460920620.db2.gz XCJCSHQZKUGVKJ-BPLDGKMQSA-N 2 1 325.859 3.130 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3coc(-c4cccs4)n3)C2)C1 ZINC000652348823 461142233 /nfs/dbraw/zinc/14/22/33/461142233.db2.gz SKJJLNNFPOYEAB-FMKPAKJESA-N 2 1 347.484 3.121 20 0 EGADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652349680 461144656 /nfs/dbraw/zinc/14/46/56/461144656.db2.gz YVZJZQPALMYTNU-JOQOYGCGSA-N 2 1 338.879 3.067 20 0 EGADMP COc1ccc(Cl)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652363445 461157714 /nfs/dbraw/zinc/15/77/14/461157714.db2.gz DZGDMRKWAYZWIW-ZTFGCOKTSA-N 2 1 338.879 3.209 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641168431 461161079 /nfs/dbraw/zinc/16/10/79/461161079.db2.gz FEMUDLYWFFHARN-FUHWJXTLSA-N 2 1 347.894 3.243 20 0 EGADMP Cc1ncc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1C ZINC000668189812 461169432 /nfs/dbraw/zinc/16/94/32/461169432.db2.gz PZDITGYLBJARBO-UHFFFAOYSA-N 2 1 338.499 3.217 20 0 EGADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292218 461169580 /nfs/dbraw/zinc/16/95/80/461169580.db2.gz CDGDMXKYZKHEMN-QFBILLFUSA-N 2 1 343.515 3.288 20 0 EGADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662297493 461175475 /nfs/dbraw/zinc/17/54/75/461175475.db2.gz QVBBKFMHRNATQM-HKUYNNGSSA-N 2 1 343.515 3.342 20 0 EGADMP Brc1cc2c(s1)CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000662311906 461184727 /nfs/dbraw/zinc/18/47/27/461184727.db2.gz WTOKPQMHSGBQOE-UHFFFAOYSA-N 2 1 329.307 3.258 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)[C@@H]1CCC[NH3+] ZINC000662314327 461185904 /nfs/dbraw/zinc/18/59/04/461185904.db2.gz PWCCVCRSDDBYCA-CXAGYDPISA-N 2 1 339.430 3.133 20 0 EGADMP C[C@H](c1ccccn1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326880 461195562 /nfs/dbraw/zinc/19/55/62/461195562.db2.gz GCMARTVRPWQYHV-OAHLLOKOSA-N 2 1 339.487 3.212 20 0 EGADMP C[C@H]1C[N@@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000638137767 461264300 /nfs/dbraw/zinc/26/43/00/461264300.db2.gz NJCABWBLWOROOC-BDKRGJGYSA-N 2 1 341.543 3.138 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2OCCCCO)C[C@H]1n1ccnc1 ZINC000638170074 461284015 /nfs/dbraw/zinc/28/40/15/461284015.db2.gz CLSZWDUIGIPHRN-IEBWSBKVSA-N 2 1 343.471 3.118 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000633943734 461341708 /nfs/dbraw/zinc/34/17/08/461341708.db2.gz RVUMLKGOQYSUCU-IBGZPJMESA-N 2 1 343.515 3.156 20 0 EGADMP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000633953995 461352325 /nfs/dbraw/zinc/35/23/25/461352325.db2.gz IJFHFPSCUNDOCN-LJQANCHMSA-N 2 1 347.547 3.260 20 0 EGADMP CC(C)c1ccc(OCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655702213 461374390 /nfs/dbraw/zinc/37/43/90/461374390.db2.gz ZSEKFIMSHMRLGZ-NRFANRHFSA-N 2 1 346.515 3.422 20 0 EGADMP CC(C)(C)OCc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655704822 461376286 /nfs/dbraw/zinc/37/62/86/461376286.db2.gz LWEVSEOODGBXLD-HXUWFJFHSA-N 2 1 346.515 3.345 20 0 EGADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000641799184 461377570 /nfs/dbraw/zinc/37/75/70/461377570.db2.gz OBCNGFSJKJQIFH-QZTJIDSGSA-N 2 1 325.456 3.472 20 0 EGADMP CC(C)COc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655706255 461378197 /nfs/dbraw/zinc/37/81/97/461378197.db2.gz KIDXUHQUOWNWKT-IBGZPJMESA-N 2 1 332.488 3.064 20 0 EGADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2cccc(Oc3ccccc3)c2)C[C@@H]1[NH3+] ZINC000641806994 461381793 /nfs/dbraw/zinc/38/17/93/461381793.db2.gz TWKVALCQEADNFG-ZWKOTPCHSA-N 2 1 339.439 3.133 20 0 EGADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000641807496 461383149 /nfs/dbraw/zinc/38/31/49/461383149.db2.gz VACVKXRJGMGEGZ-RYUDHWBXSA-N 2 1 349.784 3.013 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000641806986 461383290 /nfs/dbraw/zinc/38/32/90/461383290.db2.gz TUJQQVPEWAWKLU-ZOCIIQOWSA-N 2 1 337.467 3.396 20 0 EGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Sc1ccccc1 ZINC000655719203 461386290 /nfs/dbraw/zinc/38/62/90/461386290.db2.gz HXFJLXDTZMCUGC-SJLPKXTDSA-N 2 1 334.529 3.400 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000655719460 461389829 /nfs/dbraw/zinc/38/98/29/461389829.db2.gz JBHIZCRXHWEDMB-INIZCTEOSA-N 2 1 330.451 3.141 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000655719460 461389837 /nfs/dbraw/zinc/38/98/37/461389837.db2.gz JBHIZCRXHWEDMB-INIZCTEOSA-N 2 1 330.451 3.141 20 0 EGADMP CCC[N@@H+](C)CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652871179 461393597 /nfs/dbraw/zinc/39/35/97/461393597.db2.gz ATSHILFUQHXQKJ-UHFFFAOYSA-N 2 1 335.517 3.155 20 0 EGADMP CC[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Oc1cccc(C)c1 ZINC000655729720 461398594 /nfs/dbraw/zinc/39/85/94/461398594.db2.gz CXTZVPDGHQTMBX-PZJWPPBQSA-N 2 1 346.515 3.385 20 0 EGADMP c1ccc(CC2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCC2)cc1 ZINC000655733060 461400782 /nfs/dbraw/zinc/40/07/82/461400782.db2.gz IRRSQVZKUCBEEC-FQEVSTJZSA-N 2 1 328.500 3.242 20 0 EGADMP OCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000638447714 461434046 /nfs/dbraw/zinc/43/40/46/461434046.db2.gz NVXVDZXHHXFXNV-SFHVURJKSA-N 2 1 330.497 3.242 20 0 EGADMP OCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000638447714 461434052 /nfs/dbraw/zinc/43/40/52/461434052.db2.gz NVXVDZXHHXFXNV-SFHVURJKSA-N 2 1 330.497 3.242 20 0 EGADMP c1ccc2c(c1)SC[C@H]2C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655771627 461436146 /nfs/dbraw/zinc/43/61/46/461436146.db2.gz NZIGNDCYCMXUEE-WBVHZDCISA-N 2 1 332.513 3.109 20 0 EGADMP c1ccc([C@@H]2CC[C@@H](C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)O2)cc1 ZINC000655780878 461441914 /nfs/dbraw/zinc/44/19/14/461441914.db2.gz PIMIGEJMFUGAQM-ACRUOGEOSA-N 2 1 344.499 3.140 20 0 EGADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000647076397 461497437 /nfs/dbraw/zinc/49/74/37/461497437.db2.gz GUZHKJXUJJKHSA-SFHVURJKSA-N 2 1 335.451 3.141 20 0 EGADMP c1ccc(C[NH+]2CCC(N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000655850458 461497932 /nfs/dbraw/zinc/49/79/32/461497932.db2.gz VSSFQEAGCPNHKV-NHCUHLMSSA-N 2 1 327.516 3.258 20 0 EGADMP c1ccc(C[NH+]2CCC(N[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000655850458 461497936 /nfs/dbraw/zinc/49/79/36/461497936.db2.gz VSSFQEAGCPNHKV-NHCUHLMSSA-N 2 1 327.516 3.258 20 0 EGADMP c1ccc(CC[NH+]2CCC(N[C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000655850301 461498063 /nfs/dbraw/zinc/49/80/63/461498063.db2.gz UIDNJOOBWNJXSO-VXKWHMMOSA-N 2 1 341.543 3.300 20 0 EGADMP CO[C@H](C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CCOCC1 ZINC000638612060 461505655 /nfs/dbraw/zinc/50/56/55/461505655.db2.gz LUJGPKAWRRFYME-DYESRHJHSA-N 2 1 346.515 3.243 20 0 EGADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CCOCC1 ZINC000638722328 461548449 /nfs/dbraw/zinc/54/84/49/461548449.db2.gz QVDVGLAWPOWUAK-IOMROCGXSA-N 2 1 346.515 3.071 20 0 EGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CCOCC1 ZINC000638722328 461548455 /nfs/dbraw/zinc/54/84/55/461548455.db2.gz QVDVGLAWPOWUAK-IOMROCGXSA-N 2 1 346.515 3.071 20 0 EGADMP COCCc1ncc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000631112476 461560307 /nfs/dbraw/zinc/56/03/07/461560307.db2.gz ZWLVXXYBQMNZHT-HUUCEWRRSA-N 2 1 337.533 3.075 20 0 EGADMP COCCc1ncc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000631112476 461560314 /nfs/dbraw/zinc/56/03/14/461560314.db2.gz ZWLVXXYBQMNZHT-HUUCEWRRSA-N 2 1 337.533 3.075 20 0 EGADMP C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344214 461570562 /nfs/dbraw/zinc/57/05/62/461570562.db2.gz PFTVPEAVDRALGO-LJQANCHMSA-N 2 1 333.564 3.495 20 0 EGADMP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344214 461570572 /nfs/dbraw/zinc/57/05/72/461570572.db2.gz PFTVPEAVDRALGO-LJQANCHMSA-N 3 1 333.564 3.495 20 0 EGADMP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344214 461570581 /nfs/dbraw/zinc/57/05/81/461570581.db2.gz PFTVPEAVDRALGO-LJQANCHMSA-N 3 1 333.564 3.495 20 0 EGADMP Clc1cc2c(c(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)c1)OCC2 ZINC000663344999 461573414 /nfs/dbraw/zinc/57/34/14/461573414.db2.gz DPVHSHWSOXXXID-OAHLLOKOSA-N 2 1 334.891 3.487 20 0 EGADMP Clc1cc2c(c(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)c1)OCC2 ZINC000663344999 461573424 /nfs/dbraw/zinc/57/34/24/461573424.db2.gz DPVHSHWSOXXXID-OAHLLOKOSA-N 2 1 334.891 3.487 20 0 EGADMP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663346970 461577328 /nfs/dbraw/zinc/57/73/28/461577328.db2.gz DJHKVKNJKNOGMC-GOSISDBHSA-N 2 1 332.488 3.306 20 0 EGADMP Brc1ccc2[nH+]ccc(N3CC[C@H]4CC[NH2+][C@H]4C3)c2c1 ZINC000643031928 461593955 /nfs/dbraw/zinc/59/39/55/461593955.db2.gz ZNAHESBVCUKEPW-ABAIWWIYSA-N 2 1 332.245 3.186 20 0 EGADMP Fc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc12 ZINC000631177604 461615398 /nfs/dbraw/zinc/61/53/98/461615398.db2.gz LQZMGSRQAGQGRX-QGZVFWFLSA-N 2 1 328.431 3.322 20 0 EGADMP C[N@H+]1C[C@@H](CNC2CC[NH+](C(C)(C)C)CC2)[C@H](c2ccccc2)C1 ZINC000647344659 461648198 /nfs/dbraw/zinc/64/81/98/461648198.db2.gz WKDNRRSGUNOGRY-QUCCMNQESA-N 2 1 329.532 3.184 20 0 EGADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467556 461656536 /nfs/dbraw/zinc/65/65/36/461656536.db2.gz GRVKEEICENCYCH-QFBILLFUSA-N 2 1 344.499 3.448 20 0 EGADMP c1ccc(CN2CCC[C@@H]([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000663469207 461657791 /nfs/dbraw/zinc/65/77/91/461657791.db2.gz PBKNBLSOITWGSG-FCHUYYIVSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H](NC[C@@H]3CCC[NH+](CC4CC4)C3)C2)cc1 ZINC000663469207 461657801 /nfs/dbraw/zinc/65/78/01/461657801.db2.gz PBKNBLSOITWGSG-FCHUYYIVSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](NC[C@@H]3CCC[NH+](CC4CC4)C3)C2)cc1 ZINC000663469207 461657810 /nfs/dbraw/zinc/65/78/10/461657810.db2.gz PBKNBLSOITWGSG-FCHUYYIVSA-N 2 1 341.543 3.363 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000663470653 461658995 /nfs/dbraw/zinc/65/89/95/461658995.db2.gz VZYIDHJHEKQCAI-NVXWUHKLSA-N 2 1 341.499 3.344 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@@H+](C)C[C@H]1CCc3nccn3C1)CC2 ZINC000639076639 461710189 /nfs/dbraw/zinc/71/01/89/461710189.db2.gz GWVBPRZLCPJDLT-PBHICJAKSA-N 2 1 341.455 3.082 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@H+](C)C[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC000639076639 461710193 /nfs/dbraw/zinc/71/01/93/461710193.db2.gz GWVBPRZLCPJDLT-PBHICJAKSA-N 2 1 341.455 3.082 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@@H+](C)C[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC000639076639 461710199 /nfs/dbraw/zinc/71/01/99/461710199.db2.gz GWVBPRZLCPJDLT-PBHICJAKSA-N 2 1 341.455 3.082 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000643455467 461731839 /nfs/dbraw/zinc/73/18/39/461731839.db2.gz JUXSDBPEUZUJIW-DUVNUKRYSA-N 2 1 327.394 3.014 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2cc(-c3ccncc3)ccc2OC)CC[C@@H]1[NH3+] ZINC000647497881 461736240 /nfs/dbraw/zinc/73/62/40/461736240.db2.gz YYDCYFSKKCOVMX-KXBFYZLASA-N 2 1 325.456 3.316 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3CCCC[NH2+]3)[C@H]3CCC[C@@H]32)cc1 ZINC000643502711 461748945 /nfs/dbraw/zinc/74/89/45/461748945.db2.gz OPIMZHDWYDVNOL-WOZUAGRISA-N 2 1 327.516 3.161 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2COc3cc(F)c(Br)cc32)CC[N@H+]1C ZINC000639140431 461757425 /nfs/dbraw/zinc/75/74/25/461757425.db2.gz XNIMISHIYRJKQP-GPCCPHFNSA-N 2 1 343.240 3.094 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1OC ZINC000647544295 461758556 /nfs/dbraw/zinc/75/85/56/461758556.db2.gz ZAQXSSLJXYROIY-ZWKOTPCHSA-N 2 1 332.488 3.306 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](C[NH2+]Cc3cnc(C4CC4)nc3)C2)cc1 ZINC000656493946 461766796 /nfs/dbraw/zinc/76/67/96/461766796.db2.gz LNCSCUIYTWVMPB-GOSISDBHSA-N 2 1 336.483 3.356 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3cnc(C4CC4)nc3)C2)cc1 ZINC000656493946 461766803 /nfs/dbraw/zinc/76/68/03/461766803.db2.gz LNCSCUIYTWVMPB-GOSISDBHSA-N 2 1 336.483 3.356 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](c1nccn1C)C1CC1 ZINC000639172888 461780455 /nfs/dbraw/zinc/78/04/55/461780455.db2.gz QULWAHTYOLRPQZ-LJQANCHMSA-N 2 1 326.488 3.455 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](c1nccn1C)C1CC1 ZINC000639172888 461780457 /nfs/dbraw/zinc/78/04/57/461780457.db2.gz QULWAHTYOLRPQZ-LJQANCHMSA-N 2 1 326.488 3.455 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000653650172 461784091 /nfs/dbraw/zinc/78/40/91/461784091.db2.gz RPPRHQSFYRAYBG-SFHVURJKSA-N 2 1 331.435 3.173 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000653650172 461784099 /nfs/dbraw/zinc/78/40/99/461784099.db2.gz RPPRHQSFYRAYBG-SFHVURJKSA-N 2 1 331.435 3.173 20 0 EGADMP COc1cc(Cl)c(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1OC ZINC000639179717 461784553 /nfs/dbraw/zinc/78/45/53/461784553.db2.gz UPSFPMCDNPLIGJ-CZUORRHYSA-N 2 1 338.879 3.273 20 0 EGADMP Cc1nccnc1CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639208809 461804879 /nfs/dbraw/zinc/80/48/79/461804879.db2.gz DQMJBYJLSCQDGJ-RXVVDRJESA-N 2 1 336.483 3.285 20 0 EGADMP Cc1nccnc1CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639208809 461804885 /nfs/dbraw/zinc/80/48/85/461804885.db2.gz DQMJBYJLSCQDGJ-RXVVDRJESA-N 2 1 336.483 3.285 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000639210750 461805191 /nfs/dbraw/zinc/80/51/91/461805191.db2.gz JAFAYHOWMCNVFA-RISCZKNCSA-N 2 1 344.286 3.394 20 0 EGADMP COc1cc(C)c([C@H](C)[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C ZINC000639286532 461843563 /nfs/dbraw/zinc/84/35/63/461843563.db2.gz BQMLFGCKOFYWEA-KRWDZBQOSA-N 2 1 332.488 3.170 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000643973792 461849435 /nfs/dbraw/zinc/84/94/35/461849435.db2.gz VEFQUMSIPKJQLV-HNNXBMFYSA-N 2 1 340.471 3.049 20 0 EGADMP Clc1ccc(-c2noc([C@@H]3CCC[N@@H+](C[C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000647883995 461870263 /nfs/dbraw/zinc/87/02/63/461870263.db2.gz SOWHTWCDMBSIJI-DZGCQCFKSA-N 2 1 346.862 3.179 20 0 EGADMP C[NH2+]CCC[NH+](Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000647884380 461870511 /nfs/dbraw/zinc/87/05/11/461870511.db2.gz IQEKFSFGZHENQG-UHFFFAOYSA-N 2 1 328.456 3.316 20 0 EGADMP COc1ncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000639360259 461883917 /nfs/dbraw/zinc/88/39/17/461883917.db2.gz UHLDOVNMMSPIQW-GOEBONIOSA-N 2 1 331.485 3.009 20 0 EGADMP COc1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000639360259 461883922 /nfs/dbraw/zinc/88/39/22/461883922.db2.gz UHLDOVNMMSPIQW-GOEBONIOSA-N 2 1 331.485 3.009 20 0 EGADMP CC(C)(C)[C@@]1(C[NH2+][C@H]2C[C@@H](CO)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639362687 461885351 /nfs/dbraw/zinc/88/53/51/461885351.db2.gz IOFOBUPFUMJYQL-SVFBPWRDSA-N 2 1 330.516 3.285 20 0 EGADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000647936651 461893615 /nfs/dbraw/zinc/89/36/15/461893615.db2.gz JDBNPGPQANQPTD-WFASDCNBSA-N 2 1 343.393 3.093 20 0 EGADMP CC1([NH+]2CCCC2)CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000639374630 461893861 /nfs/dbraw/zinc/89/38/61/461893861.db2.gz HVRPPGIXEGQWEH-UHFFFAOYSA-N 2 1 325.456 3.391 20 0 EGADMP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000639376328 461895244 /nfs/dbraw/zinc/89/52/44/461895244.db2.gz DCXWGELEMVDMQY-UHFFFAOYSA-N 2 1 339.487 3.108 20 0 EGADMP c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656785167 461896300 /nfs/dbraw/zinc/89/63/00/461896300.db2.gz JWZROMMEPQXQMU-OAQYLSRUSA-N 2 1 338.499 3.143 20 0 EGADMP CC(C)Cc1ncc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650707769 461901575 /nfs/dbraw/zinc/90/15/75/461901575.db2.gz MVMGHJJLVSJCHL-UXLLHSPISA-N 2 1 337.533 3.060 20 0 EGADMP CC(C)Cc1ncc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650707771 461902375 /nfs/dbraw/zinc/90/23/75/461902375.db2.gz MVMGHJJLVSJCHL-ZMSDIMECSA-N 2 1 337.533 3.060 20 0 EGADMP CCCOc1ccc(OCCN2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660651466 461903551 /nfs/dbraw/zinc/90/35/51/461903551.db2.gz AJGRBZMUFXVJHK-HXUWFJFHSA-N 2 1 332.488 3.272 20 0 EGADMP CCCOc1ccc(OCC[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660651466 461903555 /nfs/dbraw/zinc/90/35/55/461903555.db2.gz AJGRBZMUFXVJHK-HXUWFJFHSA-N 2 1 332.488 3.272 20 0 EGADMP CCCOc1ccc(OCC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660651466 461903559 /nfs/dbraw/zinc/90/35/59/461903559.db2.gz AJGRBZMUFXVJHK-HXUWFJFHSA-N 2 1 332.488 3.272 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(OC(F)F)c1 ZINC000666997056 461904301 /nfs/dbraw/zinc/90/43/01/461904301.db2.gz URPPLQRUPVPVGR-ZDUSSCGKSA-N 2 1 326.387 3.061 20 0 EGADMP [NH3+]Cc1ccc(C[NH2+]Cc2ccccc2OC(F)(F)F)c(F)c1 ZINC000650718295 461909819 /nfs/dbraw/zinc/90/98/19/461909819.db2.gz GEWVOPOWDVBJOP-UHFFFAOYSA-N 2 1 328.309 3.473 20 0 EGADMP CC(C)Oc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650721985 461912382 /nfs/dbraw/zinc/91/23/82/461912382.db2.gz HYKNLEZOXMTYOE-MISYRCLQSA-N 2 1 332.488 3.335 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc3cnccc3c2)C1 ZINC000650723946 461916677 /nfs/dbraw/zinc/91/66/77/461916677.db2.gz WDDFGUIFBYPSHS-VAMGGRTRSA-N 2 1 325.456 3.096 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975213 461916730 /nfs/dbraw/zinc/91/67/30/461916730.db2.gz QIXMOMISUZKFOR-ZWKOTPCHSA-N 2 1 343.515 3.460 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975694 461916873 /nfs/dbraw/zinc/91/68/73/461916873.db2.gz DSMCKQAFRHWECB-OAGGEKHMSA-N 2 1 349.906 3.379 20 0 EGADMP CCOc1ccccc1OCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977571 461918095 /nfs/dbraw/zinc/91/80/95/461918095.db2.gz DQEHVMBWERFADF-ROUUACIJSA-N 2 1 332.488 3.176 20 0 EGADMP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976311 461918894 /nfs/dbraw/zinc/91/88/94/461918894.db2.gz MZOPVUDDQABHNF-OWCLPIDISA-N 2 1 340.471 3.108 20 0 EGADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976565 461919328 /nfs/dbraw/zinc/91/93/28/461919328.db2.gz QDVXFRGERBTJDP-IPMKNSEASA-N 2 1 343.515 3.342 20 0 EGADMP Cc1cc(C[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)c2ccccc2n1 ZINC000660695111 461927653 /nfs/dbraw/zinc/92/76/53/461927653.db2.gz MSCBYIHDXPUZQR-UHFFFAOYSA-N 2 1 341.499 3.116 20 0 EGADMP C[C@@H](NCc1ccc(C[NH3+])cc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000650753312 461935669 /nfs/dbraw/zinc/93/56/69/461935669.db2.gz LBNRFCLQZJKBCN-OAHLLOKOSA-N 2 1 345.462 3.076 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(-c3ccccc3F)o1)CCO2 ZINC000648071556 461968723 /nfs/dbraw/zinc/96/87/23/461968723.db2.gz IDRYJBNHAPLHNA-UHFFFAOYSA-N 2 1 344.430 3.382 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(-c3ccccc3F)o1)CCO2 ZINC000648071556 461968727 /nfs/dbraw/zinc/96/87/27/461968727.db2.gz IDRYJBNHAPLHNA-UHFFFAOYSA-N 2 1 344.430 3.382 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCc1cc2ccccc2o1 ZINC000644572369 461990719 /nfs/dbraw/zinc/99/07/19/461990719.db2.gz SEVKPYHMLNONNC-IBGZPJMESA-N 2 1 338.451 3.058 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCc1cc2ccccc2o1 ZINC000644572369 461990725 /nfs/dbraw/zinc/99/07/25/461990725.db2.gz SEVKPYHMLNONNC-IBGZPJMESA-N 2 1 338.451 3.058 20 0 EGADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)Sc1ccccc1 ZINC000644579151 461995035 /nfs/dbraw/zinc/99/50/35/461995035.db2.gz OTCLPKJUPDPFLN-PKOBYXMFSA-N 2 1 344.524 3.250 20 0 EGADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)Sc1ccccc1 ZINC000644579151 461995039 /nfs/dbraw/zinc/99/50/39/461995039.db2.gz OTCLPKJUPDPFLN-PKOBYXMFSA-N 2 1 344.524 3.250 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000639594241 462009147 /nfs/dbraw/zinc/00/91/47/462009147.db2.gz YEQUWCXSCPLSBL-ROUUACIJSA-N 2 1 326.488 3.233 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000639594241 462009149 /nfs/dbraw/zinc/00/91/49/462009149.db2.gz YEQUWCXSCPLSBL-ROUUACIJSA-N 2 1 326.488 3.233 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000639594241 462009153 /nfs/dbraw/zinc/00/91/53/462009153.db2.gz YEQUWCXSCPLSBL-ROUUACIJSA-N 2 1 326.488 3.233 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000657348300 462062171 /nfs/dbraw/zinc/06/21/71/462062171.db2.gz QXWAATFMLHKYRJ-IEBWSBKVSA-N 2 1 334.504 3.310 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657348117 462063275 /nfs/dbraw/zinc/06/32/75/462063275.db2.gz KXFXMQCJPISSBE-UYAOXDASSA-N 2 1 332.488 3.064 20 0 EGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000667493905 462111307 /nfs/dbraw/zinc/11/13/07/462111307.db2.gz HBWYTHHTGWUQPR-FQEVSTJZSA-N 2 1 332.488 3.159 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000667493905 462111313 /nfs/dbraw/zinc/11/13/13/462111313.db2.gz HBWYTHHTGWUQPR-FQEVSTJZSA-N 2 1 332.488 3.159 20 0 EGADMP C[C@H]([NH2+]Cc1ccnn1CC1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657431371 462118238 /nfs/dbraw/zinc/11/82/38/462118238.db2.gz VZPKVYIQZOARQA-FXAWDEMLSA-N 2 1 338.499 3.293 20 0 EGADMP C[C@H]([NH2+]Cc1ccnn1CC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657431371 462118245 /nfs/dbraw/zinc/11/82/45/462118245.db2.gz VZPKVYIQZOARQA-FXAWDEMLSA-N 2 1 338.499 3.293 20 0 EGADMP CCCc1cc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c2ccccc2[nH+]1 ZINC000664598338 462119832 /nfs/dbraw/zinc/11/98/32/462119832.db2.gz HEQQRBKHBPIEED-GOSISDBHSA-N 2 1 339.483 3.223 20 0 EGADMP CN(Cc1ccnn1CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667620923 462177854 /nfs/dbraw/zinc/17/78/54/462177854.db2.gz UPAYTSOJCJRWPM-FQEVSTJZSA-N 2 1 338.499 3.247 20 0 EGADMP CC(C)CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000657752147 462252096 /nfs/dbraw/zinc/25/20/96/462252096.db2.gz RCXIPAHBDSWLLI-HXUWFJFHSA-N 2 1 346.515 3.454 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000648754607 462262514 /nfs/dbraw/zinc/26/25/14/462262514.db2.gz RGNONECTTOMCDW-MRXNPFEDSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(C(F)F)nc1 ZINC000657926008 462320352 /nfs/dbraw/zinc/32/03/52/462320352.db2.gz QXTBAVQUSOOTQQ-VUCTXSBTSA-N 2 1 339.430 3.048 20 0 EGADMP CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC000657944105 462324199 /nfs/dbraw/zinc/32/41/99/462324199.db2.gz YQOSWEGWVBWZLD-QZTJIDSGSA-N 2 1 332.532 3.423 20 0 EGADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000661642295 462344845 /nfs/dbraw/zinc/34/48/45/462344845.db2.gz DHHNAFYWJQIETF-OAQYLSRUSA-N 2 1 329.532 3.111 20 0 EGADMP Clc1ccccc1N1CC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000658068278 462366380 /nfs/dbraw/zinc/36/63/80/462366380.db2.gz CMAOXACFKLWJRT-OAHLLOKOSA-N 2 1 333.907 3.383 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(O)(CC)CC)[C@H](C)C1 ZINC000658106687 462387899 /nfs/dbraw/zinc/38/78/99/462387899.db2.gz AUEVSLRDAJZNHD-MSOLQXFVSA-N 2 1 342.568 3.290 20 0 EGADMP CC(C)(C)C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(F)cc1 ZINC000665292209 462388627 /nfs/dbraw/zinc/38/86/27/462388627.db2.gz VXZRMPAZXQOCKD-HNNXBMFYSA-N 2 1 332.423 3.047 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1(CO)CC1 ZINC000658157334 462410244 /nfs/dbraw/zinc/41/02/44/462410244.db2.gz YPKRJVGHTGEGCE-FRYIKTPZSA-N 2 1 328.500 3.038 20 0 EGADMP Cn1c2ccccc2nc1CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532264 462431983 /nfs/dbraw/zinc/43/19/83/462431983.db2.gz CHXNEOBIUZYSFQ-UHFFFAOYSA-N 2 1 328.504 3.314 20 0 EGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2c(C3CC3)cnn2C)CC1 ZINC000658212335 462432121 /nfs/dbraw/zinc/43/21/21/462432121.db2.gz HKXDYKPAOMSHKC-BEFAXECRSA-N 2 1 330.520 3.430 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCC(C)(C)[NH3+])cc1 ZINC000649288218 462468293 /nfs/dbraw/zinc/46/82/93/462468293.db2.gz DBTQKWNKHSTVSA-MRXNPFEDSA-N 2 1 331.504 3.195 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649294978 462469545 /nfs/dbraw/zinc/46/95/45/462469545.db2.gz ZYVXHIOEPBZEEQ-YOEHRIQHSA-N 2 1 337.895 3.111 20 0 EGADMP COc1ccccc1-c1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)on1 ZINC000658355087 462488246 /nfs/dbraw/zinc/48/82/46/462488246.db2.gz APFKBYSFUJUTOS-KVSKMBFKSA-N 2 1 341.455 3.313 20 0 EGADMP COc1ccccc1-c1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)on1 ZINC000658355087 462488251 /nfs/dbraw/zinc/48/82/51/462488251.db2.gz APFKBYSFUJUTOS-KVSKMBFKSA-N 2 1 341.455 3.313 20 0 EGADMP c1ccc(C[N@@H+]2CCN(C[C@@H]3CC[NH2+]C3)CC23CCCCC3)cc1 ZINC000649414162 462503192 /nfs/dbraw/zinc/50/31/92/462503192.db2.gz JXSJJFYSSCAGEK-HXUWFJFHSA-N 2 1 327.516 3.117 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc1 ZINC000646105863 462519022 /nfs/dbraw/zinc/51/90/22/462519022.db2.gz KCRJWMXKRMEHRG-OXJNMPFZSA-N 2 1 337.467 3.053 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCO[C@H](C4CC4)C3)CC2)cc1 ZINC000155113594 534487378 /nfs/dbraw/zinc/48/73/78/534487378.db2.gz ROUBIGXJMAOTGX-SFTDATJTSA-N 2 1 328.500 3.241 20 0 EGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000178033618 527084581 /nfs/dbraw/zinc/08/45/81/527084581.db2.gz CALSXNQYYLMLKY-BBWFWOEESA-N 2 1 347.503 3.185 20 0 EGADMP CC[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)[C@H](C)C1 ZINC000132091065 527891741 /nfs/dbraw/zinc/89/17/41/527891741.db2.gz USNPXXGFSSFRAD-UTKZUKDTSA-N 2 1 345.531 3.033 20 0 EGADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2OCC(=O)OC)CC1 ZINC000183503424 528463111 /nfs/dbraw/zinc/46/31/11/528463111.db2.gz DECJARBUDBJTHD-INIZCTEOSA-N 2 1 348.487 3.154 20 0 EGADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cc(F)ccc1F ZINC000154472627 529161034 /nfs/dbraw/zinc/16/10/34/529161034.db2.gz VEEGQACMKRTZCZ-LJQANCHMSA-N 2 1 339.474 3.423 20 0 EGADMP CC[C@H]1Oc2cc([C@H](C)[NH2+]CCC[NH+](CC)CC)ccc2NC1=O ZINC000191608770 529334827 /nfs/dbraw/zinc/33/48/27/529334827.db2.gz DDCKGOKPCORNRU-WMLDXEAASA-N 2 1 333.476 3.179 20 0 EGADMP CCC(CC)[C@H](CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+](C)C ZINC000246996565 535145372 /nfs/dbraw/zinc/14/53/72/535145372.db2.gz KLXSRHYJIFKITM-UIFIKXQLSA-N 2 1 346.563 3.248 20 0 EGADMP CCC(CC)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+](C)C ZINC000246996565 535145377 /nfs/dbraw/zinc/14/53/77/535145377.db2.gz KLXSRHYJIFKITM-UIFIKXQLSA-N 2 1 346.563 3.248 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc4occc4c3)CC2)CC1 ZINC000347887494 535156206 /nfs/dbraw/zinc/15/62/06/535156206.db2.gz VVHUBLPLRWRAPF-UHFFFAOYSA-N 2 1 341.499 3.423 20 0 EGADMP CC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H]1CCCO1 ZINC000092407846 546674443 /nfs/dbraw/zinc/67/44/43/546674443.db2.gz YBXFRTFEDIOACA-FQEVSTJZSA-N 2 1 332.488 3.162 20 0 EGADMP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H]1CCCOC1 ZINC000119816305 546709132 /nfs/dbraw/zinc/70/91/32/546709132.db2.gz OTDHBWILYLSKHJ-IBGZPJMESA-N 2 1 332.488 3.020 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1F ZINC000153733369 546883407 /nfs/dbraw/zinc/88/34/07/546883407.db2.gz UEFXRFSEDNCZKT-AWEZNQCLSA-N 3 1 330.451 3.140 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000161591351 546958483 /nfs/dbraw/zinc/95/84/83/546958483.db2.gz MEKNELUPJKKUQB-GDIGMMSISA-N 2 1 342.487 3.248 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166817456 546989858 /nfs/dbraw/zinc/98/98/58/546989858.db2.gz CAZUOKRYFYNSDZ-RTBURBONSA-N 2 1 332.488 3.127 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166817456 546989860 /nfs/dbraw/zinc/98/98/60/546989860.db2.gz CAZUOKRYFYNSDZ-RTBURBONSA-N 2 1 332.488 3.127 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cscc1Br ZINC000286527549 547395477 /nfs/dbraw/zinc/39/54/77/547395477.db2.gz NLEASJZXQOAPRF-SNVBAGLBSA-N 2 1 328.279 3.441 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(OC[C@@H]2CCCO2)c1 ZINC000339073991 547567922 /nfs/dbraw/zinc/56/79/22/547567922.db2.gz HQAGPQODRRCBFC-AABGKKOBSA-N 2 1 344.499 3.269 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(OC[C@@H]2CCCO2)c1 ZINC000339073991 547567927 /nfs/dbraw/zinc/56/79/27/547567927.db2.gz HQAGPQODRRCBFC-AABGKKOBSA-N 2 1 344.499 3.269 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000339068717 547569256 /nfs/dbraw/zinc/56/92/56/547569256.db2.gz SVXRVTPEXGSAGL-WLRLJWMZSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000339068717 547569259 /nfs/dbraw/zinc/56/92/59/547569259.db2.gz SVXRVTPEXGSAGL-WLRLJWMZSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000339068717 547569263 /nfs/dbraw/zinc/56/92/63/547569263.db2.gz SVXRVTPEXGSAGL-WLRLJWMZSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000339068717 547569268 /nfs/dbraw/zinc/56/92/68/547569268.db2.gz SVXRVTPEXGSAGL-WLRLJWMZSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000339068717 547569270 /nfs/dbraw/zinc/56/92/70/547569270.db2.gz SVXRVTPEXGSAGL-WLRLJWMZSA-N 2 1 327.516 3.256 20 0 EGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000352852857 547688959 /nfs/dbraw/zinc/68/89/59/547688959.db2.gz KYZWILJZOYCGSB-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCOC[C@@H]2CCOC2)CC1 ZINC000671746830 548351564 /nfs/dbraw/zinc/35/15/64/548351564.db2.gz NLZACVUGURZHMB-QNGMFEMESA-N 2 1 346.515 3.072 20 0 EGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000675897995 549000148 /nfs/dbraw/zinc/00/01/48/549000148.db2.gz CBRBITFYOOUYKF-VXKWHMMOSA-N 2 1 336.479 3.209 20 0 EGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000675897995 549000151 /nfs/dbraw/zinc/00/01/51/549000151.db2.gz CBRBITFYOOUYKF-VXKWHMMOSA-N 2 1 336.479 3.209 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](CC)[C@@H](C)C2)cc1)C(C)C ZINC000677183040 549224714 /nfs/dbraw/zinc/22/47/14/549224714.db2.gz OKNDBQQISUSKKA-KRWDZBQOSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](CC)[C@@H](C)C2)cc1)C(C)C ZINC000677183040 549224718 /nfs/dbraw/zinc/22/47/18/549224718.db2.gz OKNDBQQISUSKKA-KRWDZBQOSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)cc1)C(C)C ZINC000677183040 549224721 /nfs/dbraw/zinc/22/47/21/549224721.db2.gz OKNDBQQISUSKKA-KRWDZBQOSA-N 2 1 331.504 3.083 20 0 EGADMP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1F ZINC000677237866 549235370 /nfs/dbraw/zinc/23/53/70/549235370.db2.gz OLCPYZFOCMDGFD-OAGGEKHMSA-N 2 1 335.442 3.008 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000677240103 549235455 /nfs/dbraw/zinc/23/54/55/549235455.db2.gz SYULIDBEBVXSKH-XRYRHKQGSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677240103 549235457 /nfs/dbraw/zinc/23/54/57/549235457.db2.gz SYULIDBEBVXSKH-XRYRHKQGSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677240103 549235460 /nfs/dbraw/zinc/23/54/60/549235460.db2.gz SYULIDBEBVXSKH-XRYRHKQGSA-N 2 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000677240103 549235463 /nfs/dbraw/zinc/23/54/63/549235463.db2.gz SYULIDBEBVXSKH-XRYRHKQGSA-N 3 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000677240103 549235467 /nfs/dbraw/zinc/23/54/67/549235467.db2.gz SYULIDBEBVXSKH-XRYRHKQGSA-N 3 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677240103 549235469 /nfs/dbraw/zinc/23/54/69/549235469.db2.gz SYULIDBEBVXSKH-XRYRHKQGSA-N 3 1 341.543 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677240103 549235473 /nfs/dbraw/zinc/23/54/73/549235473.db2.gz SYULIDBEBVXSKH-XRYRHKQGSA-N 3 1 341.543 3.359 20 0 EGADMP C[C@H](C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000677944450 549363193 /nfs/dbraw/zinc/36/31/93/549363193.db2.gz HYQGFBOYMWYTQD-IXDOHACOSA-N 2 1 347.503 3.217 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000677982041 549370440 /nfs/dbraw/zinc/37/04/40/549370440.db2.gz JSBYNULKKBJCLO-UHFFFAOYSA-N 2 1 327.428 3.365 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000677982041 549370443 /nfs/dbraw/zinc/37/04/43/549370443.db2.gz JSBYNULKKBJCLO-UHFFFAOYSA-N 2 1 327.428 3.365 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000678142986 549408932 /nfs/dbraw/zinc/40/89/32/549408932.db2.gz RDRIREFLVVBHTH-FQEVSTJZSA-N 2 1 325.456 3.359 20 0 EGADMP CC[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H](C)O1 ZINC000678214187 549426476 /nfs/dbraw/zinc/42/64/76/549426476.db2.gz MYBLVEVHHLEXJF-MJGOQNOKSA-N 2 1 332.488 3.161 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H](C)O1 ZINC000678214187 549426477 /nfs/dbraw/zinc/42/64/77/549426477.db2.gz MYBLVEVHHLEXJF-MJGOQNOKSA-N 2 1 332.488 3.161 20 0 EGADMP C[NH+](C)CCOc1ccc(CN2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000678224117 549429773 /nfs/dbraw/zinc/42/97/73/549429773.db2.gz LBBJDSAQIVZDHA-UHFFFAOYSA-N 2 1 345.531 3.077 20 0 EGADMP CC(C)(C)C[N@@H+](CCO)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678241401 549440069 /nfs/dbraw/zinc/44/00/69/549440069.db2.gz FZFRVDALLFLJCC-UHFFFAOYSA-N 2 1 334.504 3.002 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000678269497 549452055 /nfs/dbraw/zinc/45/20/55/549452055.db2.gz YJYFQJSHPBKTII-UHFFFAOYSA-N 2 1 332.488 3.020 20 0 EGADMP CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000678276381 549455564 /nfs/dbraw/zinc/45/55/64/549455564.db2.gz HHDBCQWQOVITLX-OALUTQOASA-N 2 1 334.504 3.262 20 0 EGADMP Cc1ccc(C[NH+]2CCSCC2)cc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000679100002 549634712 /nfs/dbraw/zinc/63/47/12/549634712.db2.gz YDDZIPZNQHKCMT-SJLPKXTDSA-N 2 1 333.545 3.438 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000680385525 549860275 /nfs/dbraw/zinc/86/02/75/549860275.db2.gz NWHGTUARTIWTGG-YADHBBJMSA-N 2 1 338.495 3.090 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000680385525 549860278 /nfs/dbraw/zinc/86/02/78/549860278.db2.gz NWHGTUARTIWTGG-YADHBBJMSA-N 2 1 338.495 3.090 20 0 EGADMP C[C@@](CO)([NH2+]CCC[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000682028381 550063177 /nfs/dbraw/zinc/06/31/77/550063177.db2.gz IXRYHRSNIKJJLS-KRWDZBQOSA-N 2 1 344.421 3.379 20 0 EGADMP CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000683725404 550254861 /nfs/dbraw/zinc/25/48/61/550254861.db2.gz BSJJWSOYMJTTII-FQEVSTJZSA-N 2 1 334.504 3.408 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc3cnccc3c2)C[C@H](C)O1 ZINC000683766999 550259497 /nfs/dbraw/zinc/25/94/97/550259497.db2.gz CUBXNONPTZRKIK-CALCHBBNSA-N 2 1 327.472 3.214 20 0 EGADMP CN(C)c1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cn1 ZINC000684026898 550283303 /nfs/dbraw/zinc/28/33/03/550283303.db2.gz XXKRIMQJWQMVQY-UHFFFAOYSA-N 2 1 339.487 3.060 20 0 EGADMP CCCCC[C@H](C)NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000728571789 574759054 /nfs/dbraw/zinc/75/90/54/574759054.db2.gz KQBNRGSGXCGMAN-KRWDZBQOSA-N 2 1 325.541 3.124 20 0 EGADMP C[N@@H+](CCCNc1nccc(N2CCCC2)n1)Cc1ccccc1 ZINC000730106587 574920064 /nfs/dbraw/zinc/92/00/64/574920064.db2.gz LHDIDIXUCSEZBX-UHFFFAOYSA-N 2 1 325.460 3.011 20 0 EGADMP C[N@H+](CCCNc1nc(N2CCCC2)cc[nH+]1)Cc1ccccc1 ZINC000730106587 574920067 /nfs/dbraw/zinc/92/00/67/574920067.db2.gz LHDIDIXUCSEZBX-UHFFFAOYSA-N 2 1 325.460 3.011 20 0 EGADMP C[N@@H+](CCCNc1nc(N2CCCC2)cc[nH+]1)Cc1ccccc1 ZINC000730106587 574920071 /nfs/dbraw/zinc/92/00/71/574920071.db2.gz LHDIDIXUCSEZBX-UHFFFAOYSA-N 2 1 325.460 3.011 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000732275758 575252827 /nfs/dbraw/zinc/25/28/27/575252827.db2.gz AWZDINDHPKKHMX-UYAOXDASSA-N 2 1 345.531 3.450 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000732275758 575252829 /nfs/dbraw/zinc/25/28/29/575252829.db2.gz AWZDINDHPKKHMX-UYAOXDASSA-N 2 1 345.531 3.450 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000732275758 575252830 /nfs/dbraw/zinc/25/28/30/575252830.db2.gz AWZDINDHPKKHMX-UYAOXDASSA-N 2 1 345.531 3.450 20 0 EGADMP Fc1cccc(COc2ccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc2)c1 ZINC000678342984 576167182 /nfs/dbraw/zinc/16/71/82/576167182.db2.gz JSMXCVRSXKZMJY-QZTJIDSGSA-N 2 1 326.415 3.056 20 0 EGADMP O[C@@]1(C[NH2+][C@H](c2cccs2)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000678689902 576169150 /nfs/dbraw/zinc/16/91/50/576169150.db2.gz OBUAPTQYBSORPK-VQTJNVASSA-N 2 1 342.508 3.426 20 0 EGADMP O[C@@]1(C[NH2+][C@H](c2cccs2)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000678689902 576169154 /nfs/dbraw/zinc/16/91/54/576169154.db2.gz OBUAPTQYBSORPK-VQTJNVASSA-N 2 1 342.508 3.426 20 0 EGADMP O[C@@]1(C[NH2+][C@@H](c2cccs2)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000678689904 576169364 /nfs/dbraw/zinc/16/93/64/576169364.db2.gz OBUAPTQYBSORPK-WOJBJXKFSA-N 2 1 342.508 3.426 20 0 EGADMP O[C@@]1(C[NH2+][C@@H](c2cccs2)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000678689904 576169367 /nfs/dbraw/zinc/16/93/67/576169367.db2.gz OBUAPTQYBSORPK-WOJBJXKFSA-N 2 1 342.508 3.426 20 0 EGADMP Cc1noc([C@H](C)Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC000738429464 576324924 /nfs/dbraw/zinc/32/49/24/576324924.db2.gz WIFYTABDBNNROH-AWEZNQCLSA-N 2 1 343.475 3.329 20 0 EGADMP CCCCC[C@H](C)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000742574826 576790376 /nfs/dbraw/zinc/79/03/76/576790376.db2.gz WETAXGGGZYAFJM-INIZCTEOSA-N 2 1 332.492 3.378 20 0 EGADMP C[N@H+](C[C@@H](O)c1cccc(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000743872892 576818020 /nfs/dbraw/zinc/81/80/20/576818020.db2.gz DWEYRBMFEQQNCN-WIYYLYMNSA-N 2 1 342.458 3.313 20 0 EGADMP C[N@@H+](C[C@@H](O)c1cccc(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000743872892 576818021 /nfs/dbraw/zinc/81/80/21/576818021.db2.gz DWEYRBMFEQQNCN-WIYYLYMNSA-N 2 1 342.458 3.313 20 0 EGADMP C[NH+](C[C@@H](O)c1cccc(F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743872892 576818022 /nfs/dbraw/zinc/81/80/22/576818022.db2.gz DWEYRBMFEQQNCN-WIYYLYMNSA-N 2 1 342.458 3.313 20 0 EGADMP C[NH+](C[C@@H](O)c1cccc(F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000743872892 576818023 /nfs/dbraw/zinc/81/80/23/576818023.db2.gz DWEYRBMFEQQNCN-WIYYLYMNSA-N 2 1 342.458 3.313 20 0 EGADMP CC(C)(C)OC(=O)N(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000305892778 1297066001 /nfs/dbraw/zinc/06/60/01/1297066001.db2.gz OMHMJSJJPJABRI-CVEARBPZSA-N 2 1 339.524 3.238 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCCCCCNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000698068317 1298167684 /nfs/dbraw/zinc/16/76/84/1298167684.db2.gz JOMIGMXQHKXRNQ-CVEARBPZSA-N 2 1 327.513 3.144 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000067222620 1292154215 /nfs/dbraw/zinc/15/42/15/1292154215.db2.gz KQRZBPGOAWKNNO-SFHVURJKSA-N 2 1 339.483 3.482 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000067222620 1292154219 /nfs/dbraw/zinc/15/42/19/1292154219.db2.gz KQRZBPGOAWKNNO-SFHVURJKSA-N 2 1 339.483 3.482 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc(F)c3)c2)CCO1 ZINC000067976709 1292180301 /nfs/dbraw/zinc/18/03/01/1292180301.db2.gz YEGVDEYQACNEDU-MRXNPFEDSA-N 2 1 328.431 3.336 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(F)c3)c2)CCO1 ZINC000067976709 1292180302 /nfs/dbraw/zinc/18/03/02/1292180302.db2.gz YEGVDEYQACNEDU-MRXNPFEDSA-N 2 1 328.431 3.336 20 0 EGADMP O=C1O[C@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CN1C1CCCCC1 ZINC000827930284 1292405871 /nfs/dbraw/zinc/40/58/71/1292405871.db2.gz JSQHBZJNGYIUBM-PKOBYXMFSA-N 2 1 349.519 3.090 20 0 EGADMP O=C1O[C@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CN1C1CCCCC1 ZINC000827930284 1292405875 /nfs/dbraw/zinc/40/58/75/1292405875.db2.gz JSQHBZJNGYIUBM-PKOBYXMFSA-N 2 1 349.519 3.090 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)C1 ZINC000096628033 1292950586 /nfs/dbraw/zinc/95/05/86/1292950586.db2.gz FEHIXPNSWHWMKB-HNNXBMFYSA-N 2 1 337.895 3.461 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)C1 ZINC000096628033 1292950594 /nfs/dbraw/zinc/95/05/94/1292950594.db2.gz FEHIXPNSWHWMKB-HNNXBMFYSA-N 2 1 337.895 3.461 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000105451569 1293036533 /nfs/dbraw/zinc/03/65/33/1293036533.db2.gz SASFIQKLHABKQU-UHFFFAOYSA-N 2 1 343.437 3.069 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cccc3ccccc32)CC1 ZINC000105451507 1293036779 /nfs/dbraw/zinc/03/67/79/1293036779.db2.gz IMLAMNXPWRULJJ-UHFFFAOYSA-N 2 1 325.500 3.203 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000120805591 1293340163 /nfs/dbraw/zinc/34/01/63/1293340163.db2.gz XNCHHELDAJAWJG-MRXNPFEDSA-N 2 1 327.472 3.398 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000120805591 1293340171 /nfs/dbraw/zinc/34/01/71/1293340171.db2.gz XNCHHELDAJAWJG-MRXNPFEDSA-N 2 1 327.472 3.398 20 0 EGADMP COc1ccc(CNC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1O ZINC000131129591 1293680016 /nfs/dbraw/zinc/68/00/16/1293680016.db2.gz OVXVAGAVWRTYRH-OAHLLOKOSA-N 2 1 341.455 3.111 20 0 EGADMP CCOC(=O)N1CCC([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000151974156 1293947577 /nfs/dbraw/zinc/94/75/77/1293947577.db2.gz GLHXXSNMALOTPX-UHFFFAOYSA-N 2 1 347.503 3.237 20 0 EGADMP Cc1ccc2ncc(C[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)n2c1 ZINC000156472993 1294145494 /nfs/dbraw/zinc/14/54/94/1294145494.db2.gz SCNPMYWGKAQHOD-HXUWFJFHSA-N 2 1 348.494 3.297 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc2cnccn12 ZINC000156614109 1294151084 /nfs/dbraw/zinc/15/10/84/1294151084.db2.gz FFCMRBMZEZWHMB-QGZVFWFLSA-N 2 1 349.482 3.394 20 0 EGADMP CCc1nn(C)c(CC)c1C[NH2+]Cc1cccc(C[N@H+](C)CC)c1 ZINC000161975222 1294304018 /nfs/dbraw/zinc/30/40/18/1294304018.db2.gz SEZQDVYFPLODOD-UHFFFAOYSA-N 2 1 328.504 3.286 20 0 EGADMP Cc1cc(N2CCC([NH2+]Cc3cc(F)cc(F)c3)CC2)nc(C)[nH+]1 ZINC000163103275 1294328176 /nfs/dbraw/zinc/32/81/76/1294328176.db2.gz JUNPTFCWTCBFPR-UHFFFAOYSA-N 2 1 332.398 3.130 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000870891720 1296131370 /nfs/dbraw/zinc/13/13/70/1296131370.db2.gz JGSVONFGWIUOHM-AFYVEPGGSA-N 2 1 343.515 3.015 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000870949511 1296148826 /nfs/dbraw/zinc/14/88/26/1296148826.db2.gz HNNVRHDLMOFVKO-GNVJSZRZSA-N 2 1 343.515 3.014 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000247670416 1296399175 /nfs/dbraw/zinc/39/91/75/1296399175.db2.gz ZILXDBMYRRTDGV-IRXDYDNUSA-N 2 1 339.524 3.240 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000248627400 1296422721 /nfs/dbraw/zinc/42/27/21/1296422721.db2.gz GFGGQNBVKBCMNP-BRWVUGGUSA-N 2 1 339.524 3.286 20 0 EGADMP c1ccc(C[NH+]2CCC(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000261538137 1296594336 /nfs/dbraw/zinc/59/43/36/1296594336.db2.gz FLMVYEGTOHRYBY-QHAWAJNXSA-N 2 1 327.516 3.161 20 0 EGADMP Cc1cc(C)c(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(C)c1 ZINC000261661856 1296596933 /nfs/dbraw/zinc/59/69/33/1296596933.db2.gz KSBVBVXHOFGVIK-SFHVURJKSA-N 2 1 329.488 3.014 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1SC(F)(F)F ZINC000261804649 1296603248 /nfs/dbraw/zinc/60/32/48/1296603248.db2.gz WDHNDNQGIMXFPL-CQSZACIVSA-N 2 1 334.407 3.478 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1SC(F)(F)F ZINC000261804649 1296603266 /nfs/dbraw/zinc/60/32/66/1296603266.db2.gz WDHNDNQGIMXFPL-CQSZACIVSA-N 2 1 334.407 3.478 20 0 EGADMP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261957053 1296609710 /nfs/dbraw/zinc/60/97/10/1296609710.db2.gz GTXBOPPGHKCEQX-UHFFFAOYSA-N 2 1 329.532 3.220 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC2(C1)CC[NH2+]CC2 ZINC000261957053 1296609718 /nfs/dbraw/zinc/60/97/18/1296609718.db2.gz GTXBOPPGHKCEQX-UHFFFAOYSA-N 3 1 329.532 3.220 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC2(C1)CC[NH2+]CC2 ZINC000261957053 1296609735 /nfs/dbraw/zinc/60/97/35/1296609735.db2.gz GTXBOPPGHKCEQX-UHFFFAOYSA-N 3 1 329.532 3.220 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261957053 1296609740 /nfs/dbraw/zinc/60/97/40/1296609740.db2.gz GTXBOPPGHKCEQX-UHFFFAOYSA-N 3 1 329.532 3.220 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261957053 1296609749 /nfs/dbraw/zinc/60/97/49/1296609749.db2.gz GTXBOPPGHKCEQX-UHFFFAOYSA-N 3 1 329.532 3.220 20 0 EGADMP c1sc(COc2ccccc2)nc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261994337 1296614107 /nfs/dbraw/zinc/61/41/07/1296614107.db2.gz KPEPYOXSQNVRIU-UHFFFAOYSA-N 2 1 343.496 3.298 20 0 EGADMP c1sc(COc2ccccc2)nc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261994337 1296614118 /nfs/dbraw/zinc/61/41/18/1296614118.db2.gz KPEPYOXSQNVRIU-UHFFFAOYSA-N 2 1 343.496 3.298 20 0 EGADMP COc1ccc(Br)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262142907 1296619367 /nfs/dbraw/zinc/61/93/67/1296619367.db2.gz ZIHSQWSRKMGVFJ-UHFFFAOYSA-N 2 1 339.277 3.033 20 0 EGADMP CNC(=O)c1cccc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c1 ZINC000872156390 1296778060 /nfs/dbraw/zinc/77/80/60/1296778060.db2.gz IVTOOUAKGARGHV-XLIONFOSSA-N 2 1 343.515 3.166 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])[C@@H]1c1cccs1 ZINC000872285660 1296894874 /nfs/dbraw/zinc/89/48/74/1296894874.db2.gz BQAVOSICZPDFAD-XLMAVXFVSA-N 2 1 349.544 3.155 20 0 EGADMP C[N@@H+](CCC[NH2+]C[C@H](O)c1ccc(F)c(F)c1)Cc1ccccc1 ZINC000309840225 1297078822 /nfs/dbraw/zinc/07/88/22/1297078822.db2.gz WLRFAWMKBYASCA-IBGZPJMESA-N 2 1 334.410 3.110 20 0 EGADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000310944443 1297104504 /nfs/dbraw/zinc/10/45/04/1297104504.db2.gz XDKWGGNIZBRWQG-WIYYLYMNSA-N 2 1 342.458 3.361 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1n1cncn1 ZINC000340235117 1297310062 /nfs/dbraw/zinc/31/00/62/1297310062.db2.gz KIAAEQCWGNSLGZ-MANSERQUSA-N 2 1 333.524 3.252 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1n1cncn1 ZINC000340235117 1297310074 /nfs/dbraw/zinc/31/00/74/1297310074.db2.gz KIAAEQCWGNSLGZ-MANSERQUSA-N 2 1 333.524 3.252 20 0 EGADMP COCC[N@@H+](CCc1ccccc1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873203260 1297347313 /nfs/dbraw/zinc/34/73/13/1297347313.db2.gz VTGAYWCRMIXMQR-UHFFFAOYSA-N 2 1 330.497 3.085 20 0 EGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](Cc2cnc3ccccn23)C1)C1CCCC1 ZINC000873231781 1297372836 /nfs/dbraw/zinc/37/28/36/1297372836.db2.gz DFIGUUBBNRUOJM-APWZRJJASA-N 2 1 326.488 3.454 20 0 EGADMP c1sc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1-c1ccncc1 ZINC000873282726 1297410008 /nfs/dbraw/zinc/41/00/08/1297410008.db2.gz LRSNUHQFYDSWIB-OWCLPIDISA-N 2 1 328.485 3.215 20 0 EGADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000382381551 1297558314 /nfs/dbraw/zinc/55/83/14/1297558314.db2.gz BPBZASDRLJJVMB-DOTOQJQBSA-N 2 1 339.524 3.144 20 0 EGADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000382381551 1297558321 /nfs/dbraw/zinc/55/83/21/1297558321.db2.gz BPBZASDRLJJVMB-DOTOQJQBSA-N 2 1 339.524 3.144 20 0 EGADMP CC(C)C[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000389881247 1297618220 /nfs/dbraw/zinc/61/82/20/1297618220.db2.gz ZIXNVQKSGFGXRA-WIYYLYMNSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000389881247 1297618223 /nfs/dbraw/zinc/61/82/23/1297618223.db2.gz ZIXNVQKSGFGXRA-WIYYLYMNSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000874244660 1297827198 /nfs/dbraw/zinc/82/71/98/1297827198.db2.gz OQVOJJGLGNISES-UHFFFAOYSA-N 2 1 346.519 3.167 20 0 EGADMP CSc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000442782717 1297855044 /nfs/dbraw/zinc/85/50/44/1297855044.db2.gz RSIOLKVJENJAGN-OAHLLOKOSA-N 2 1 349.544 3.002 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000693861132 1298153446 /nfs/dbraw/zinc/15/34/46/1298153446.db2.gz HSOQHVSNTCHSFL-BBWFWOEESA-N 2 1 339.524 3.144 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(Br)n1 ZINC000925219451 1325084729 /nfs/dbraw/zinc/08/47/29/1325084729.db2.gz DHVFDHQZESUHIA-XQQFMLRXSA-N 2 1 326.282 3.368 20 0 EGADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000713067669 1298267928 /nfs/dbraw/zinc/26/79/28/1298267928.db2.gz LUEUUMIUEKDHRV-RTBURBONSA-N 2 1 345.531 3.167 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000876775159 1298976735 /nfs/dbraw/zinc/97/67/35/1298976735.db2.gz PMRONLMSOTTYTF-INIZCTEOSA-N 2 1 341.540 3.201 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000876775159 1298976744 /nfs/dbraw/zinc/97/67/44/1298976744.db2.gz PMRONLMSOTTYTF-INIZCTEOSA-N 2 1 341.540 3.201 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000876775159 1298976754 /nfs/dbraw/zinc/97/67/54/1298976754.db2.gz PMRONLMSOTTYTF-INIZCTEOSA-N 2 1 341.540 3.201 20 0 EGADMP CSC(C)(C)CC[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000876883821 1299050042 /nfs/dbraw/zinc/05/00/42/1299050042.db2.gz CEDHJJGQELAYHR-HNNXBMFYSA-N 2 1 341.590 3.158 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H]3CC3(Cl)Cl)c2)CCO1 ZINC000876970806 1299096096 /nfs/dbraw/zinc/09/60/96/1299096096.db2.gz ZAOSWKBUBVNFBX-XJKSGUPXSA-N 2 1 343.298 3.191 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H]3CC3(Cl)Cl)c2)CCO1 ZINC000876970806 1299096106 /nfs/dbraw/zinc/09/61/06/1299096106.db2.gz ZAOSWKBUBVNFBX-XJKSGUPXSA-N 2 1 343.298 3.191 20 0 EGADMP COc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(Cl)cc1O ZINC000877495831 1299347377 /nfs/dbraw/zinc/34/73/77/1299347377.db2.gz HMJXBMHPFCUOQQ-UHFFFAOYSA-N 2 1 338.879 3.362 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(OC(C)(C)C)c1)CCO2 ZINC000877607805 1299429104 /nfs/dbraw/zinc/42/91/04/1299429104.db2.gz LXRDHWUSGUHVHL-UHFFFAOYSA-N 2 1 332.488 3.161 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(OC(C)(C)C)c1)CCO2 ZINC000877607805 1299429106 /nfs/dbraw/zinc/42/91/06/1299429106.db2.gz LXRDHWUSGUHVHL-UHFFFAOYSA-N 2 1 332.488 3.161 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(OCC(F)(F)F)c3)CC[C@H]21 ZINC000877745024 1299523112 /nfs/dbraw/zinc/52/31/12/1299523112.db2.gz ZCHYPPSKQLAGMU-GDBMZVCRSA-N 2 1 328.378 3.154 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(OCC(F)(F)F)c3)CC[C@H]21 ZINC000877745024 1299523115 /nfs/dbraw/zinc/52/31/15/1299523115.db2.gz ZCHYPPSKQLAGMU-GDBMZVCRSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(OCC(F)(F)F)c3)CC[C@H]21 ZINC000877745024 1299523119 /nfs/dbraw/zinc/52/31/19/1299523119.db2.gz ZCHYPPSKQLAGMU-GDBMZVCRSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(OCC(F)(F)F)c3)CC[C@H]21 ZINC000877745024 1299523127 /nfs/dbraw/zinc/52/31/27/1299523127.db2.gz ZCHYPPSKQLAGMU-GDBMZVCRSA-N 2 1 328.378 3.154 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000878198467 1299818260 /nfs/dbraw/zinc/81/82/60/1299818260.db2.gz XGGNGJVBXRIYTR-BHIYHBOVSA-N 2 1 329.488 3.128 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000878198467 1299818275 /nfs/dbraw/zinc/81/82/75/1299818275.db2.gz XGGNGJVBXRIYTR-BHIYHBOVSA-N 2 1 329.488 3.128 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000878198467 1299818296 /nfs/dbraw/zinc/81/82/96/1299818296.db2.gz XGGNGJVBXRIYTR-BHIYHBOVSA-N 2 1 329.488 3.128 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000878198467 1299818311 /nfs/dbraw/zinc/81/83/11/1299818311.db2.gz XGGNGJVBXRIYTR-BHIYHBOVSA-N 2 1 329.488 3.128 20 0 EGADMP c1cn(-c2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cn2)cn1 ZINC000753370012 1299923564 /nfs/dbraw/zinc/92/35/64/1299923564.db2.gz AKKMWOFROCBXRX-UHFFFAOYSA-N 2 1 339.487 3.154 20 0 EGADMP C[C@H]1C[C@H](CCNc2nc(N(C)C)cc[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000753818727 1300025352 /nfs/dbraw/zinc/02/53/52/1300025352.db2.gz XFYHYNIFUGQNQD-WMZOPIPTSA-N 2 1 339.487 3.255 20 0 EGADMP C[C@H]1C[C@H](CCNc2nc(N(C)C)cc[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000753818727 1300025362 /nfs/dbraw/zinc/02/53/62/1300025362.db2.gz XFYHYNIFUGQNQD-WMZOPIPTSA-N 2 1 339.487 3.255 20 0 EGADMP CC[C@H]1C[N@H+](CCC[NH+](CC)CC)CC[C@H]1NC(=O)OC(C)(C)C ZINC000755067687 1300277109 /nfs/dbraw/zinc/27/71/09/1300277109.db2.gz QOENKQIGIAHHMR-DLBZAZTESA-N 2 1 341.540 3.344 20 0 EGADMP CC[C@H]1C[N@@H+](CCC[NH+](CC)CC)CC[C@H]1NC(=O)OC(C)(C)C ZINC000755067687 1300277116 /nfs/dbraw/zinc/27/71/16/1300277116.db2.gz QOENKQIGIAHHMR-DLBZAZTESA-N 2 1 341.540 3.344 20 0 EGADMP Cc1ccc2c(ccc(C)c2C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000878993529 1300306899 /nfs/dbraw/zinc/30/68/99/1300306899.db2.gz LDHNBEPYLJVRMI-FQEVSTJZSA-N 2 1 338.495 3.488 20 0 EGADMP CC(C)(C)OC(=O)NC(C)(C)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000761202796 1301419899 /nfs/dbraw/zinc/41/98/99/1301419899.db2.gz MKPCYNJYZFKUJQ-MRXNPFEDSA-N 2 1 339.524 3.098 20 0 EGADMP CC(C)(C)OC(=O)NC(C)(C)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000761202796 1301419905 /nfs/dbraw/zinc/41/99/05/1301419905.db2.gz MKPCYNJYZFKUJQ-MRXNPFEDSA-N 2 1 339.524 3.098 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)CCCO1 ZINC000762481474 1301688665 /nfs/dbraw/zinc/68/86/65/1301688665.db2.gz FMFWDIRCKKOORU-QGZVFWFLSA-N 2 1 346.515 3.381 20 0 EGADMP c1ccc2c(c1)CCSC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765978314 1302362272 /nfs/dbraw/zinc/36/22/72/1302362272.db2.gz UKTFIFWSYNRSOZ-AZUAARDMSA-N 2 1 346.540 3.250 20 0 EGADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000767500393 1302694338 /nfs/dbraw/zinc/69/43/38/1302694338.db2.gz HVXOEFJFSGIHSH-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000767500393 1302694346 /nfs/dbraw/zinc/69/43/46/1302694346.db2.gz HVXOEFJFSGIHSH-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000767500393 1302694349 /nfs/dbraw/zinc/69/43/49/1302694349.db2.gz HVXOEFJFSGIHSH-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+](C[C@@H]1CCCCO1)[C@H]1CC[C@H]([N@@H+](C)C[C@@H]2CCCCO2)CC1 ZINC000886392112 1303455097 /nfs/dbraw/zinc/45/50/97/1303455097.db2.gz VNOAILSQXOCUMV-MUGJNUQGSA-N 2 1 338.536 3.299 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@@H]3CCN(C4CCCCC4)C3=O)CC2)[nH+]c1C ZINC000886659827 1303542480 /nfs/dbraw/zinc/54/24/80/1303542480.db2.gz WMTDGNXJVUMBAZ-GOSISDBHSA-N 2 1 344.503 3.140 20 0 EGADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)[C@H](C)c3ccccc3)CC2)[nH+]c1C ZINC000886661635 1303542532 /nfs/dbraw/zinc/54/25/32/1303542532.db2.gz ZGYLQWIVFOIGBL-AUUYWEPGSA-N 2 1 327.472 3.371 20 0 EGADMP Cc1[nH]c(C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)[nH+]c1C ZINC000886664195 1303545824 /nfs/dbraw/zinc/54/58/24/1303545824.db2.gz FEKMCRYEMZQKMN-UHFFFAOYSA-N 2 1 327.428 3.177 20 0 EGADMP COc1ccc(OCC[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cc1 ZINC000886670473 1303550568 /nfs/dbraw/zinc/55/05/68/1303550568.db2.gz PXJLRLJFRWYSRF-UHFFFAOYSA-N 2 1 329.444 3.294 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H](O)c1c(F)cccc1Cl ZINC000773030198 1303611298 /nfs/dbraw/zinc/61/12/98/1303611298.db2.gz LWRJNGWOYOGMGJ-LKQDWFRTSA-N 2 1 326.843 3.117 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H](O)c1c(F)cccc1Cl ZINC000773030198 1303611304 /nfs/dbraw/zinc/61/13/04/1303611304.db2.gz LWRJNGWOYOGMGJ-LKQDWFRTSA-N 2 1 326.843 3.117 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000775414992 1303960620 /nfs/dbraw/zinc/96/06/20/1303960620.db2.gz POCNMCVMJZHYLF-QBPKDAKJSA-N 2 1 328.591 3.324 20 0 EGADMP CO[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(F)(F)F ZINC000777007564 1304231647 /nfs/dbraw/zinc/23/16/47/1304231647.db2.gz NNLJTQCWRGGEAW-ABAIWWIYSA-N 2 1 327.350 3.409 20 0 EGADMP C[C@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)CC[N@H+]1C ZINC000777299072 1304280660 /nfs/dbraw/zinc/28/06/60/1304280660.db2.gz AFPQPTBHIUCEPY-FUHWJXTLSA-N 2 1 330.520 3.112 20 0 EGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000779023284 1304519687 /nfs/dbraw/zinc/51/96/87/1304519687.db2.gz FBFBORIOMVPVBG-NHCUHLMSSA-N 2 1 330.516 3.487 20 0 EGADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000781423890 1304826729 /nfs/dbraw/zinc/82/67/29/1304826729.db2.gz UGZASGWFALXKFC-ZHHKINOHSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CCC[NH+]1CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000781423890 1304826733 /nfs/dbraw/zinc/82/67/33/1304826733.db2.gz UGZASGWFALXKFC-ZHHKINOHSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CCC[NH+]1CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000781423890 1304826736 /nfs/dbraw/zinc/82/67/36/1304826736.db2.gz UGZASGWFALXKFC-ZHHKINOHSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CCCN1CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000781423890 1304826738 /nfs/dbraw/zinc/82/67/38/1304826738.db2.gz UGZASGWFALXKFC-ZHHKINOHSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CCCN1CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000781423890 1304826742 /nfs/dbraw/zinc/82/67/42/1304826742.db2.gz UGZASGWFALXKFC-ZHHKINOHSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccnc(Cl)c1 ZINC000781922401 1304892017 /nfs/dbraw/zinc/89/20/17/1304892017.db2.gz HIIWHDQAZXSFMI-RDTXWAMCSA-N 2 1 345.874 3.152 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000783515828 1305101759 /nfs/dbraw/zinc/10/17/59/1305101759.db2.gz CCDPNVUNAYBXGV-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC1CC[NH+](C)CC1 ZINC000891730238 1305148823 /nfs/dbraw/zinc/14/88/23/1305148823.db2.gz VIZKBYJEANHRDQ-UHFFFAOYSA-N 2 1 344.478 3.422 20 0 EGADMP Cc1nc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)sc1C ZINC000892396504 1305351010 /nfs/dbraw/zinc/35/10/10/1305351010.db2.gz CHNGCVMJSIJNEF-UHFFFAOYSA-N 2 1 345.512 3.006 20 0 EGADMP COCCOC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000892580137 1305451453 /nfs/dbraw/zinc/45/14/53/1305451453.db2.gz HBPAVGTWGNXNDD-ROUUACIJSA-N 2 1 334.504 3.060 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC000893305290 1305815997 /nfs/dbraw/zinc/81/59/97/1305815997.db2.gz UJWHMPHVPUQOEV-UHFFFAOYSA-N 2 1 329.669 3.454 20 0 EGADMP CCCSC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000893487859 1305921007 /nfs/dbraw/zinc/92/10/07/1305921007.db2.gz QCOPRRDMKAVNCF-LPHOPBHVSA-N 2 1 336.545 3.265 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000788479634 1305952657 /nfs/dbraw/zinc/95/26/57/1305952657.db2.gz XVPZMZPWZVDVCD-IRXDYDNUSA-N 2 1 343.298 3.225 20 0 EGADMP Cc1cc(N2CCC([NH2+]C[C@H]3CCc4ccccc43)CC2)nc(C)[nH+]1 ZINC000790054406 1306254366 /nfs/dbraw/zinc/25/43/66/1306254366.db2.gz JMBJCQZBYKGAET-GOSISDBHSA-N 2 1 336.483 3.382 20 0 EGADMP CCC[N@@H+](CC1CCCCC1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790365318 1306309080 /nfs/dbraw/zinc/30/90/80/1306309080.db2.gz BWDYYUSKPAECAW-FQEVSTJZSA-N 2 1 349.519 3.153 20 0 EGADMP CCn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(-c2ccccc2)n1 ZINC000894859856 1309104249 /nfs/dbraw/zinc/10/42/49/1309104249.db2.gz NVPMHXIPMXKVAA-OAQYLSRUSA-N 2 1 338.499 3.488 20 0 EGADMP CCn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(-c2ccccc2)n1 ZINC000894859856 1309104256 /nfs/dbraw/zinc/10/42/56/1309104256.db2.gz NVPMHXIPMXKVAA-OAQYLSRUSA-N 2 1 338.499 3.488 20 0 EGADMP CCn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(-c2ccccc2)n1 ZINC000894859856 1309104260 /nfs/dbraw/zinc/10/42/60/1309104260.db2.gz NVPMHXIPMXKVAA-OAQYLSRUSA-N 2 1 338.499 3.488 20 0 EGADMP CCn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(-c2ccccc2)n1 ZINC000894859856 1309104264 /nfs/dbraw/zinc/10/42/64/1309104264.db2.gz NVPMHXIPMXKVAA-OAQYLSRUSA-N 2 1 338.499 3.488 20 0 EGADMP C[C@H](OC(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793192799 1309315311 /nfs/dbraw/zinc/31/53/11/1309315311.db2.gz TURWDHVGLYIOJJ-FUHWJXTLSA-N 2 1 349.434 3.402 20 0 EGADMP Cc1ccc(C2=NO[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1C ZINC000895978150 1309625419 /nfs/dbraw/zinc/62/54/19/1309625419.db2.gz RGCLCVKWXPKMGU-IPQPSQTFSA-N 2 1 327.472 3.011 20 0 EGADMP Cc1ccc(C2=NO[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1C ZINC000895978150 1309625426 /nfs/dbraw/zinc/62/54/26/1309625426.db2.gz RGCLCVKWXPKMGU-IPQPSQTFSA-N 2 1 327.472 3.011 20 0 EGADMP Cc1ccc(C2=NO[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1C ZINC000895978151 1309626029 /nfs/dbraw/zinc/62/60/29/1309626029.db2.gz RGCLCVKWXPKMGU-XVLXNVKGSA-N 2 1 327.472 3.011 20 0 EGADMP Cc1ccc(C2=NO[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1C ZINC000895978151 1309626036 /nfs/dbraw/zinc/62/60/36/1309626036.db2.gz RGCLCVKWXPKMGU-XVLXNVKGSA-N 2 1 327.472 3.011 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC000797113965 1310143423 /nfs/dbraw/zinc/14/34/23/1310143423.db2.gz MZACSNQDODJSOA-OAGGEKHMSA-N 2 1 346.462 3.208 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC000797113965 1310143427 /nfs/dbraw/zinc/14/34/27/1310143427.db2.gz MZACSNQDODJSOA-OAGGEKHMSA-N 2 1 346.462 3.208 20 0 EGADMP OCC[N@H+]1CCC[C@@H]2[C@H]1CCN2c1ccnc2cc(F)c(Cl)cc21 ZINC000897218713 1310226496 /nfs/dbraw/zinc/22/64/96/1310226496.db2.gz FVSNVAKOMPXENI-QZTJIDSGSA-N 2 1 349.837 3.063 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ncc(Cl)n2C)C[N@H+]1Cc1ccccc1 ZINC000799340159 1310528748 /nfs/dbraw/zinc/52/87/48/1310528748.db2.gz GUBBUJVXCHUDAV-WBVHZDCISA-N 2 1 346.906 3.464 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000839182179 1320888019 /nfs/dbraw/zinc/88/80/19/1320888019.db2.gz LHZQMHUHSNECLE-SJORKVTESA-N 2 1 341.540 3.105 20 0 EGADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)NC[C@H]3CC[NH+]3C(C)(C)C)c2)C1 ZINC000857303713 1328527743 /nfs/dbraw/zinc/52/77/43/1328527743.db2.gz YUEPEKKPTFRQQW-RBUKOAKNSA-N 2 1 343.515 3.098 20 0 EGADMP C[NH+]1CCC[C@H](c2cccc(C(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)c2)C1 ZINC000857303713 1328527744 /nfs/dbraw/zinc/52/77/44/1328527744.db2.gz YUEPEKKPTFRQQW-RBUKOAKNSA-N 2 1 343.515 3.098 20 0 EGADMP C[NH+]1CCC[C@H](c2cccc(C(=O)NC[C@H]3CC[N@H+]3C(C)(C)C)c2)C1 ZINC000857303713 1328527746 /nfs/dbraw/zinc/52/77/46/1328527746.db2.gz YUEPEKKPTFRQQW-RBUKOAKNSA-N 2 1 343.515 3.098 20 0 EGADMP CC1(C)CC(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001018966885 1316987989 /nfs/dbraw/zinc/98/79/89/1316987989.db2.gz WMKRTEJGWHFJEL-HKUYNNGSSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccccc1Cl ZINC001019259366 1317132458 /nfs/dbraw/zinc/13/24/58/1317132458.db2.gz DTCSMWHKDSWEPV-VKJFTORMSA-N 2 1 349.906 3.076 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001019386106 1317209211 /nfs/dbraw/zinc/20/92/11/1317209211.db2.gz CKTMUHNQDVESFM-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001019468231 1317263165 /nfs/dbraw/zinc/26/31/65/1317263165.db2.gz LSCKRUDBVYVXRG-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001019468536 1317264349 /nfs/dbraw/zinc/26/43/49/1317264349.db2.gz ZCLOAIDUWUZRLS-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900413749 1317285267 /nfs/dbraw/zinc/28/52/67/1317285267.db2.gz ZSHKDRRGEUIBOE-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC[C@H]4CCCC[NH+]43)c2C1 ZINC000900528584 1317301419 /nfs/dbraw/zinc/30/14/19/1317301419.db2.gz HQUUVHJVDKEGEQ-VQIMIIECSA-N 2 1 327.472 3.368 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC[C@H]4CCCC[NH+]43)c2C1 ZINC000900528584 1317301429 /nfs/dbraw/zinc/30/14/29/1317301429.db2.gz HQUUVHJVDKEGEQ-VQIMIIECSA-N 2 1 327.472 3.368 20 0 EGADMP CCC[NH+]1Cc2cccc(NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)c2C1 ZINC000900528584 1317301437 /nfs/dbraw/zinc/30/14/37/1317301437.db2.gz HQUUVHJVDKEGEQ-VQIMIIECSA-N 2 1 327.472 3.368 20 0 EGADMP CCC[NH+]1Cc2cccc(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)c2C1 ZINC000900528584 1317301447 /nfs/dbraw/zinc/30/14/47/1317301447.db2.gz HQUUVHJVDKEGEQ-VQIMIIECSA-N 2 1 327.472 3.368 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C2CC(OCc3ccccc3)C2)C1 ZINC000929762319 1328691096 /nfs/dbraw/zinc/69/10/96/1328691096.db2.gz DWCSGHPOGWEEDU-MWXLCCTBSA-N 2 1 328.500 3.398 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000929762319 1328691102 /nfs/dbraw/zinc/69/11/02/1328691102.db2.gz DWCSGHPOGWEEDU-MWXLCCTBSA-N 2 1 328.500 3.398 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000929762319 1328691105 /nfs/dbraw/zinc/69/11/05/1328691105.db2.gz DWCSGHPOGWEEDU-MWXLCCTBSA-N 2 1 328.500 3.398 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000902335054 1317565137 /nfs/dbraw/zinc/56/51/37/1317565137.db2.gz ICGZFHXPHKTTQE-DLBZAZTESA-N 3 1 335.561 3.328 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000902335054 1317565142 /nfs/dbraw/zinc/56/51/42/1317565142.db2.gz ICGZFHXPHKTTQE-DLBZAZTESA-N 3 1 335.561 3.328 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000902335054 1317565147 /nfs/dbraw/zinc/56/51/47/1317565147.db2.gz ICGZFHXPHKTTQE-DLBZAZTESA-N 2 1 335.561 3.328 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000902335054 1317565152 /nfs/dbraw/zinc/56/51/52/1317565152.db2.gz ICGZFHXPHKTTQE-DLBZAZTESA-N 2 1 335.561 3.328 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000902384685 1317571664 /nfs/dbraw/zinc/57/16/64/1317571664.db2.gz UUBDBAQJGXSPAI-QQFBHYJXSA-N 2 1 347.469 3.160 20 0 EGADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000902408093 1317574672 /nfs/dbraw/zinc/57/46/72/1317574672.db2.gz WRSCJVQAGCYRRL-CQSZACIVSA-N 2 1 334.261 3.389 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000902453294 1317580982 /nfs/dbraw/zinc/58/09/82/1317580982.db2.gz OTHUEKOHOQRDSI-VXGBXAGGSA-N 2 1 348.082 3.181 20 0 EGADMP CC[N@@H+](CC1CCCC1)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000957716046 1317585548 /nfs/dbraw/zinc/58/55/48/1317585548.db2.gz QVEPYOVRRZQYCI-YLJYHZDGSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC1CCCC1)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000957716046 1317585555 /nfs/dbraw/zinc/58/55/55/1317585555.db2.gz QVEPYOVRRZQYCI-YLJYHZDGSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC1CCCC1)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000957716046 1317585559 /nfs/dbraw/zinc/58/55/59/1317585559.db2.gz QVEPYOVRRZQYCI-YLJYHZDGSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(C)CC3)C2)C1 ZINC001020238091 1317603953 /nfs/dbraw/zinc/60/39/53/1317603953.db2.gz NOPLOBDTWVLAMB-PWKSQPCKSA-N 2 1 349.563 3.027 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)Cc3cc(OC)ccc32)CC1 ZINC000902766471 1317614485 /nfs/dbraw/zinc/61/44/85/1317614485.db2.gz LXVRCGKGZFATLW-MGPUTAFESA-N 2 1 332.488 3.019 20 0 EGADMP CCO[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1 ZINC000902800945 1317618600 /nfs/dbraw/zinc/61/86/00/1317618600.db2.gz XWXIGYQMAZUBPM-MOPGFXCFSA-N 2 1 349.519 3.441 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001020297314 1317633297 /nfs/dbraw/zinc/63/32/97/1317633297.db2.gz HBWJHZAXIJCZJQ-PILAGYSTSA-N 2 1 349.906 3.122 20 0 EGADMP C[C@@H]1Cc2ccccc2N1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903083965 1317649451 /nfs/dbraw/zinc/64/94/51/1317649451.db2.gz RNKUVXUQMFQHPA-XIHRNRATSA-N 2 1 325.500 3.185 20 0 EGADMP COc1ccc2c(c1)OCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903103131 1317653310 /nfs/dbraw/zinc/65/33/10/1317653310.db2.gz FGUIRMPXHCFDHT-QGGWKKEGSA-N 2 1 328.456 3.266 20 0 EGADMP COc1ccc2c(c1)OCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903103131 1317653316 /nfs/dbraw/zinc/65/33/16/1317653316.db2.gz FGUIRMPXHCFDHT-QGGWKKEGSA-N 2 1 328.456 3.266 20 0 EGADMP CN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccc(F)cc1 ZINC000903107568 1317654197 /nfs/dbraw/zinc/65/41/97/1317654197.db2.gz XZBWGJQSXIEAOD-CTXDPNEZSA-N 2 1 331.479 3.005 20 0 EGADMP C[N@H+](CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)Cc1ccc(F)cc1 ZINC000903107568 1317654205 /nfs/dbraw/zinc/65/42/05/1317654205.db2.gz XZBWGJQSXIEAOD-CTXDPNEZSA-N 2 1 331.479 3.005 20 0 EGADMP C[N@@H+](CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)Cc1ccc(F)cc1 ZINC000903107568 1317654215 /nfs/dbraw/zinc/65/42/15/1317654215.db2.gz XZBWGJQSXIEAOD-CTXDPNEZSA-N 2 1 331.479 3.005 20 0 EGADMP C[NH+](CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1ccc(F)cc1 ZINC000903107568 1317654221 /nfs/dbraw/zinc/65/42/21/1317654221.db2.gz XZBWGJQSXIEAOD-CTXDPNEZSA-N 2 1 331.479 3.005 20 0 EGADMP C[NH+](CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccc(F)cc1 ZINC000903107568 1317654227 /nfs/dbraw/zinc/65/42/27/1317654227.db2.gz XZBWGJQSXIEAOD-CTXDPNEZSA-N 2 1 331.479 3.005 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H](c3ccccn3)C3CC3)CC2)nc(C)[nH+]1 ZINC000903106998 1317654565 /nfs/dbraw/zinc/65/45/65/1317654565.db2.gz KIOAWHDSWCROGU-HXUWFJFHSA-N 2 1 337.471 3.198 20 0 EGADMP C(Cc1nc2c(s1)CCCC2)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903121249 1317657737 /nfs/dbraw/zinc/65/77/37/1317657737.db2.gz UBOKIMPYKBGNAG-VHRNVKJDSA-N 2 1 331.529 3.312 20 0 EGADMP C[C@@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000903172591 1317667917 /nfs/dbraw/zinc/66/79/17/1317667917.db2.gz SDFZWRATCUORNV-FJXZYEQHSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC[NH+]1Cc1ccccc1 ZINC000903172591 1317667923 /nfs/dbraw/zinc/66/79/23/1317667923.db2.gz SDFZWRATCUORNV-FJXZYEQHSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC[NH+]1Cc1ccccc1 ZINC000903172591 1317667927 /nfs/dbraw/zinc/66/79/27/1317667927.db2.gz SDFZWRATCUORNV-FJXZYEQHSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@@H]1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCN1Cc1ccccc1 ZINC000903172591 1317667936 /nfs/dbraw/zinc/66/79/36/1317667936.db2.gz SDFZWRATCUORNV-FJXZYEQHSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@@H]1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCN1Cc1ccccc1 ZINC000903172591 1317667943 /nfs/dbraw/zinc/66/79/43/1317667943.db2.gz SDFZWRATCUORNV-FJXZYEQHSA-N 2 1 339.527 3.397 20 0 EGADMP Brc1cncc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000903565686 1317707997 /nfs/dbraw/zinc/70/79/97/1317707997.db2.gz BOOZISWBSIOLMC-BBRMVZONSA-N 2 1 338.293 3.371 20 0 EGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734498 1317726719 /nfs/dbraw/zinc/72/67/19/1317726719.db2.gz RPCYIOHVDGJXJB-MAUKXSAKSA-N 2 1 336.907 3.362 20 0 EGADMP C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734053 1317727018 /nfs/dbraw/zinc/72/70/18/1317727018.db2.gz UGWYACTVTMGRMO-UKRRQHHQSA-N 2 1 336.426 3.043 20 0 EGADMP C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734053 1317727023 /nfs/dbraw/zinc/72/70/23/1317727023.db2.gz UGWYACTVTMGRMO-UKRRQHHQSA-N 2 1 336.426 3.043 20 0 EGADMP FC(F)(F)[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)O1 ZINC000903750317 1317729509 /nfs/dbraw/zinc/72/95/09/1317729509.db2.gz XGDBBMMNXVUEBP-FPCVCCKLSA-N 2 1 334.426 3.198 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCc2ccc(Cl)cc21 ZINC000903765403 1317730556 /nfs/dbraw/zinc/73/05/56/1317730556.db2.gz ZMOALBODKUVYBE-BJZITVGISA-N 2 1 334.891 3.070 20 0 EGADMP C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903786205 1317734350 /nfs/dbraw/zinc/73/43/50/1317734350.db2.gz GFSMSRLTOXWFEB-RLLQIKCJSA-N 2 1 328.500 3.413 20 0 EGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)C2 ZINC000903850280 1317739561 /nfs/dbraw/zinc/73/95/61/1317739561.db2.gz NRWORXXPLCPCLE-JQHSSLGASA-N 2 1 335.451 3.104 20 0 EGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)C2 ZINC000903850280 1317739567 /nfs/dbraw/zinc/73/95/67/1317739567.db2.gz NRWORXXPLCPCLE-JQHSSLGASA-N 2 1 335.451 3.104 20 0 EGADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCCC[C@H]2c2ccccc2)cnn1C ZINC000903905465 1317746209 /nfs/dbraw/zinc/74/62/09/1317746209.db2.gz GOQDIBHFXLITSR-PXNSSMCTSA-N 2 1 326.488 3.073 20 0 EGADMP FC(F)(F)[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC12CCOCC2 ZINC000903929765 1317750409 /nfs/dbraw/zinc/75/04/09/1317750409.db2.gz LCYXABBWUHSORJ-WTXIUTQJSA-N 2 1 346.437 3.198 20 0 EGADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CCC(C)(C)[NH3+] ZINC000903938940 1317752121 /nfs/dbraw/zinc/75/21/21/1317752121.db2.gz QQZWYRXJRIKUOF-UHFFFAOYSA-N 2 1 338.858 3.249 20 0 EGADMP COc1cc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)ccc1OC(F)F ZINC000903959424 1317756393 /nfs/dbraw/zinc/75/63/93/1317756393.db2.gz HWSPNMJZQPUEKB-GOSISDBHSA-N 2 1 340.414 3.262 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)ccc1OC(F)F ZINC000903959424 1317756396 /nfs/dbraw/zinc/75/63/96/1317756396.db2.gz HWSPNMJZQPUEKB-GOSISDBHSA-N 2 1 340.414 3.262 20 0 EGADMP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903974322 1317759587 /nfs/dbraw/zinc/75/95/87/1317759587.db2.gz UDUXJDFWWBOCKN-ZCNNSNEGSA-N 2 1 328.500 3.146 20 0 EGADMP CC(C)n1ncc2cc(CNC[C@@H]3CCCC[N@@H+](C)C3)c(Cl)nc21 ZINC000858245168 1328721276 /nfs/dbraw/zinc/72/12/76/1328721276.db2.gz OKZFMQJSEXYVPY-AWEZNQCLSA-N 2 1 349.910 3.487 20 0 EGADMP CSc1cc(Br)ccc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904405599 1317843939 /nfs/dbraw/zinc/84/39/39/1317843939.db2.gz KJQZMAQWCCTMDP-LLVKDONJSA-N 2 1 329.307 3.342 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccccc1C[NH3+] ZINC000904649859 1317876247 /nfs/dbraw/zinc/87/62/47/1317876247.db2.gz XWSPFBSQDGALLS-UHFFFAOYSA-N 2 1 340.471 3.177 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccccc1C[NH3+] ZINC000904663937 1317878645 /nfs/dbraw/zinc/87/86/45/1317878645.db2.gz CKUFYKPLCAUXER-UHFFFAOYSA-N 2 1 340.471 3.307 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001021434460 1318248299 /nfs/dbraw/zinc/24/82/99/1318248299.db2.gz GQWRUQHUHVTMPZ-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001021434460 1318248306 /nfs/dbraw/zinc/24/83/06/1318248306.db2.gz GQWRUQHUHVTMPZ-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001021434460 1318248318 /nfs/dbraw/zinc/24/83/18/1318248318.db2.gz GQWRUQHUHVTMPZ-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCC2CCCCC2)C1 ZINC001021460499 1318264844 /nfs/dbraw/zinc/26/48/44/1318264844.db2.gz CCBZLFNPKTYBRD-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2CCCCC2)C1 ZINC001021460499 1318264853 /nfs/dbraw/zinc/26/48/53/1318264853.db2.gz CCBZLFNPKTYBRD-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CCCCC2)C1 ZINC001021460499 1318264860 /nfs/dbraw/zinc/26/48/60/1318264860.db2.gz CCBZLFNPKTYBRD-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001021470317 1318269420 /nfs/dbraw/zinc/26/94/20/1318269420.db2.gz ZMDWKQSMWGQLBA-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001021470317 1318269425 /nfs/dbraw/zinc/26/94/25/1318269425.db2.gz ZMDWKQSMWGQLBA-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001021470317 1318269431 /nfs/dbraw/zinc/26/94/31/1318269431.db2.gz ZMDWKQSMWGQLBA-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP CC1CCC(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000960097840 1318352149 /nfs/dbraw/zinc/35/21/49/1318352149.db2.gz QDYPDOHUGPNREG-GUMHCPJTSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)CC2 ZINC000908504535 1318357201 /nfs/dbraw/zinc/35/72/01/1318357201.db2.gz DBJIPGVMKBGLJU-OALUTQOASA-N 2 1 347.547 3.116 20 0 EGADMP CC[N@H+](CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)C(C)C ZINC000812718212 1318443924 /nfs/dbraw/zinc/44/39/24/1318443924.db2.gz IJZSWULUCHYGSS-SJORKVTESA-N 2 1 341.540 3.342 20 0 EGADMP CC[N@@H+](CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)C(C)C ZINC000812718212 1318443930 /nfs/dbraw/zinc/44/39/30/1318443930.db2.gz IJZSWULUCHYGSS-SJORKVTESA-N 2 1 341.540 3.342 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]2C[NH+](CCC(C)(C)C)CC[C@H]21)C1CCC1 ZINC001021604084 1318450026 /nfs/dbraw/zinc/45/00/26/1318450026.db2.gz AWUMLHCDIRNACI-PKOBYXMFSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]2C[N@H+](CCC(C)(C)C)CC[C@H]21)C1CCC1 ZINC001021604084 1318450030 /nfs/dbraw/zinc/45/00/30/1318450030.db2.gz AWUMLHCDIRNACI-PKOBYXMFSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]2C[N@@H+](CCC(C)(C)C)CC[C@H]21)C1CCC1 ZINC001021604084 1318450036 /nfs/dbraw/zinc/45/00/36/1318450036.db2.gz AWUMLHCDIRNACI-PKOBYXMFSA-N 2 1 349.563 3.220 20 0 EGADMP OCc1cc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc[nH+]1 ZINC000858480673 1328774766 /nfs/dbraw/zinc/77/47/66/1328774766.db2.gz ZQVYTSPSAXXDIR-JRGCBEDISA-N 2 1 337.467 3.287 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739752 1318647705 /nfs/dbraw/zinc/64/77/05/1318647705.db2.gz MWCGOTHSCDPRLH-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC000960630027 1318755691 /nfs/dbraw/zinc/75/56/91/1318755691.db2.gz VCPKRZVJTDUSMK-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC000960630027 1318755697 /nfs/dbraw/zinc/75/56/97/1318755697.db2.gz VCPKRZVJTDUSMK-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000960630027 1318755700 /nfs/dbraw/zinc/75/57/00/1318755700.db2.gz VCPKRZVJTDUSMK-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC1CCC(C[N@@H+](C)C[C@@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000960682484 1318790996 /nfs/dbraw/zinc/79/09/96/1318790996.db2.gz PFAZSZKULYCRKA-ACBHZAAOSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCCC1)[NH+](C)C ZINC000960713222 1318820858 /nfs/dbraw/zinc/82/08/58/1318820858.db2.gz UDAILGNYCVIDKO-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001022201974 1318840936 /nfs/dbraw/zinc/84/09/36/1318840936.db2.gz OYPUEEHOIPMAOD-ZCFHBRKKSA-N 2 1 349.563 3.312 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001022201670 1318841277 /nfs/dbraw/zinc/84/12/77/1318841277.db2.gz KXKLGUZBZVOGGS-NSHGMRRFSA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022350384 1318902615 /nfs/dbraw/zinc/90/26/15/1318902615.db2.gz LLRYKGMHTXNRPN-HSALFYBXSA-N 2 1 349.563 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC2CCCC2)C1 ZINC000960811567 1318928373 /nfs/dbraw/zinc/92/83/73/1318928373.db2.gz BVYVCOBHNUHTDU-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCCC2)C1 ZINC000960811567 1318928391 /nfs/dbraw/zinc/92/83/91/1318928391.db2.gz BVYVCOBHNUHTDU-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCCC2)C1 ZINC000960811567 1318928407 /nfs/dbraw/zinc/92/84/07/1318928407.db2.gz BVYVCOBHNUHTDU-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000960833920 1318963820 /nfs/dbraw/zinc/96/38/20/1318963820.db2.gz OUGQVKGYDMPLQB-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000960833920 1318963831 /nfs/dbraw/zinc/96/38/31/1318963831.db2.gz OUGQVKGYDMPLQB-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000960833920 1318963840 /nfs/dbraw/zinc/96/38/40/1318963840.db2.gz OUGQVKGYDMPLQB-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000960835657 1318965975 /nfs/dbraw/zinc/96/59/75/1318965975.db2.gz RHCAQXNTEPEIHN-RBUKOAKNSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000960835657 1318965983 /nfs/dbraw/zinc/96/59/83/1318965983.db2.gz RHCAQXNTEPEIHN-RBUKOAKNSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000960835657 1318965992 /nfs/dbraw/zinc/96/59/92/1318965992.db2.gz RHCAQXNTEPEIHN-RBUKOAKNSA-N 2 1 335.536 3.115 20 0 EGADMP C[C@H](c1ncccn1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000930169644 1328803324 /nfs/dbraw/zinc/80/33/24/1328803324.db2.gz DQDKFYSEWAKGIQ-MRXNPFEDSA-N 2 1 325.460 3.171 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1)CC1CCCCC1 ZINC000960916702 1319062624 /nfs/dbraw/zinc/06/26/24/1319062624.db2.gz NQKHTSFMOQLSCV-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)c1 ZINC001022711964 1319078851 /nfs/dbraw/zinc/07/88/51/1319078851.db2.gz HBPJCOGPPBVPPL-CADBVGFASA-N 2 1 343.515 3.086 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)c1ccccc1Cl ZINC001022712670 1319079992 /nfs/dbraw/zinc/07/99/92/1319079992.db2.gz XFDWZCNGBFLXON-YHUYYLMFSA-N 2 1 349.906 3.122 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)c1ccc(Cl)cc1 ZINC001022711678 1319080042 /nfs/dbraw/zinc/08/00/42/1319080042.db2.gz COTSYQCZGCOOQI-DFEHZGFQSA-N 2 1 349.906 3.122 20 0 EGADMP CC(C)[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961157788 1319280362 /nfs/dbraw/zinc/28/03/62/1319280362.db2.gz OEZJLTLSGRZUHZ-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961278995 1319435240 /nfs/dbraw/zinc/43/52/40/1319435240.db2.gz ZPWVNZOLSCJPGV-PMACEKPBSA-N 2 1 349.563 3.076 20 0 EGADMP O=C1CCCN1c1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000817897192 1319455734 /nfs/dbraw/zinc/45/57/34/1319455734.db2.gz GVKYITWDVHOSFD-FPOVZHCZSA-N 2 1 349.478 3.396 20 0 EGADMP C[C@](O)(C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000817918883 1319459917 /nfs/dbraw/zinc/45/99/17/1319459917.db2.gz YTRUJLIUVOQFSA-UFYCRDLUSA-N 2 1 328.431 3.116 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1nc(Br)cs1 ZINC000817949141 1319473184 /nfs/dbraw/zinc/47/31/84/1319473184.db2.gz OPDLWXFHTOSFCL-JTQLQIEISA-N 2 1 340.290 3.258 20 0 EGADMP [NH3+]CCc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000817948419 1319473492 /nfs/dbraw/zinc/47/34/92/1319473492.db2.gz JNNQXJDPVAWDIK-WBDAEOGXSA-N 3 1 349.522 3.473 20 0 EGADMP [NH3+]CCc1ccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000817948419 1319473495 /nfs/dbraw/zinc/47/34/95/1319473495.db2.gz JNNQXJDPVAWDIK-WBDAEOGXSA-N 2 1 349.522 3.473 20 0 EGADMP [NH3+]CCc1ccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000817948419 1319473503 /nfs/dbraw/zinc/47/35/03/1319473503.db2.gz JNNQXJDPVAWDIK-WBDAEOGXSA-N 2 1 349.522 3.473 20 0 EGADMP [NH3+]CCc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000817948419 1319473509 /nfs/dbraw/zinc/47/35/09/1319473509.db2.gz JNNQXJDPVAWDIK-WBDAEOGXSA-N 2 1 349.522 3.473 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023404018 1319512078 /nfs/dbraw/zinc/51/20/78/1319512078.db2.gz PBDNPFIBOBFIJU-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001023404018 1319512089 /nfs/dbraw/zinc/51/20/89/1319512089.db2.gz PBDNPFIBOBFIJU-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001023404018 1319512095 /nfs/dbraw/zinc/51/20/95/1319512095.db2.gz PBDNPFIBOBFIJU-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023453615 1319556818 /nfs/dbraw/zinc/55/68/18/1319556818.db2.gz CYRKFEJOZBWCFS-RDJZCZTQSA-N 2 1 342.487 3.131 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCC2)C1 ZINC001023457348 1319558917 /nfs/dbraw/zinc/55/89/17/1319558917.db2.gz NMIQHLXHRLNFOE-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001023457348 1319558924 /nfs/dbraw/zinc/55/89/24/1319558924.db2.gz NMIQHLXHRLNFOE-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001023457348 1319558929 /nfs/dbraw/zinc/55/89/29/1319558929.db2.gz NMIQHLXHRLNFOE-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000961421522 1319579005 /nfs/dbraw/zinc/57/90/05/1319579005.db2.gz NAESWNAJSNSYMU-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)c3c[nH]cn3)CC2)C1 ZINC000961433985 1319586230 /nfs/dbraw/zinc/58/62/30/1319586230.db2.gz XQAHCTRNUIQMTJ-QGZVFWFLSA-N 2 1 346.519 3.046 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)c3c[nH]cn3)CC2)C1 ZINC000961433985 1319586237 /nfs/dbraw/zinc/58/62/37/1319586237.db2.gz XQAHCTRNUIQMTJ-QGZVFWFLSA-N 2 1 346.519 3.046 20 0 EGADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000818988984 1319607063 /nfs/dbraw/zinc/60/70/63/1319607063.db2.gz XSIWMXUQXNBBTL-LPHOPBHVSA-N 2 1 330.497 3.283 20 0 EGADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000818988984 1319607072 /nfs/dbraw/zinc/60/70/72/1319607072.db2.gz XSIWMXUQXNBBTL-LPHOPBHVSA-N 2 1 330.497 3.283 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1 ZINC001023695446 1319821046 /nfs/dbraw/zinc/82/10/46/1319821046.db2.gz BASULCWULZYDBP-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001023695446 1319821055 /nfs/dbraw/zinc/82/10/55/1319821055.db2.gz BASULCWULZYDBP-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001023695446 1319821060 /nfs/dbraw/zinc/82/10/60/1319821060.db2.gz BASULCWULZYDBP-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCCC)C1 ZINC001023696981 1319823335 /nfs/dbraw/zinc/82/33/35/1319823335.db2.gz ZSDZRGREVJVZQG-MOPGFXCFSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696981 1319823342 /nfs/dbraw/zinc/82/33/42/1319823342.db2.gz ZSDZRGREVJVZQG-MOPGFXCFSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001023696981 1319823352 /nfs/dbraw/zinc/82/33/52/1319823352.db2.gz ZSDZRGREVJVZQG-MOPGFXCFSA-N 2 1 337.552 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023761840 1319909447 /nfs/dbraw/zinc/90/94/47/1319909447.db2.gz KMABBJYAVPHCPT-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001023761840 1319909452 /nfs/dbraw/zinc/90/94/52/1319909452.db2.gz KMABBJYAVPHCPT-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001023761840 1319909458 /nfs/dbraw/zinc/90/94/58/1319909458.db2.gz KMABBJYAVPHCPT-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000821767406 1320030881 /nfs/dbraw/zinc/03/08/81/1320030881.db2.gz MVTMPTOPVSGWQU-MRXNPFEDSA-N 2 1 348.450 3.157 20 0 EGADMP Brc1ccc(C[C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000823591461 1320189596 /nfs/dbraw/zinc/18/95/96/1320189596.db2.gz QXGPXLSQSDWHOS-KRWDZBQOSA-N 2 1 337.305 3.456 20 0 EGADMP COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1F ZINC000825916007 1320370975 /nfs/dbraw/zinc/37/09/75/1320370975.db2.gz GXHOMIFAHRRCKL-UHFFFAOYSA-N 2 1 344.430 3.306 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC000859213423 1328947759 /nfs/dbraw/zinc/94/77/59/1328947759.db2.gz XBODFOPERHYTQZ-FQEVSTJZSA-N 2 1 346.902 3.437 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)CCc2ccccc2)cc1 ZINC000859213144 1328947006 /nfs/dbraw/zinc/94/70/06/1328947006.db2.gz SEUKAVHJLJTNJM-OAQYLSRUSA-N 2 1 326.484 3.174 20 0 EGADMP COc1sc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1Br ZINC000843055808 1321463027 /nfs/dbraw/zinc/46/30/27/1321463027.db2.gz OZWYDWNDWTZYSZ-UHFFFAOYSA-N 2 1 333.295 3.221 20 0 EGADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H](CC[NH3+])C3)c(Cl)nc21 ZINC000843112066 1321472560 /nfs/dbraw/zinc/47/25/60/1321472560.db2.gz DAKUQUYBSUVWDV-CYBMUJFWSA-N 2 1 335.883 3.226 20 0 EGADMP C[C@H](NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1)c1ccc2ccccc2c1 ZINC000843354062 1321504958 /nfs/dbraw/zinc/50/49/58/1321504958.db2.gz VFGLRCWTIKVENY-VMEOHVCESA-N 2 1 339.483 3.219 20 0 EGADMP CCc1ccc2c(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000843387862 1321509659 /nfs/dbraw/zinc/50/96/59/1321509659.db2.gz JJROWOHECYVSFF-IRXDYDNUSA-N 2 1 340.467 3.177 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cn1 ZINC000844169951 1321575441 /nfs/dbraw/zinc/57/54/41/1321575441.db2.gz WJBGDSDJPNBREP-SFHVURJKSA-N 2 1 349.438 3.240 20 0 EGADMP COc1cccc2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)oc21 ZINC000844909439 1321656869 /nfs/dbraw/zinc/65/68/69/1321656869.db2.gz BZAWMDUUNQOIOX-WDYCEAGBSA-N 2 1 344.455 3.302 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845980473 1321760675 /nfs/dbraw/zinc/76/06/75/1321760675.db2.gz GOEIRQCEIJQOEG-GTPINHCMSA-N 2 1 339.524 3.001 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])c2cc1C ZINC000846225465 1321778100 /nfs/dbraw/zinc/77/81/00/1321778100.db2.gz BTOACIOSDSPBTP-UGSOOPFHSA-N 2 1 328.456 3.359 20 0 EGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000848541322 1321972684 /nfs/dbraw/zinc/97/26/84/1321972684.db2.gz WVEOHTYPFODUFP-AZUAARDMSA-N 2 1 326.488 3.452 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849091401 1322074759 /nfs/dbraw/zinc/07/47/59/1322074759.db2.gz DGSYKKNGJVACGT-AWEZNQCLSA-N 2 1 342.409 3.050 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-c2ccco2)cc1F ZINC000849111079 1322081848 /nfs/dbraw/zinc/08/18/48/1322081848.db2.gz USNPLWWVFJQQFZ-MRXNPFEDSA-N 2 1 344.434 3.184 20 0 EGADMP C[NH+](C)CCC[NH2+]Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000850008783 1322180833 /nfs/dbraw/zinc/18/08/33/1322180833.db2.gz ZXTAVZOUENVKMN-UHFFFAOYSA-N 2 1 347.503 3.021 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CCCC[NH+]1CCCC1 ZINC000920762072 1322219638 /nfs/dbraw/zinc/21/96/38/1322219638.db2.gz FVFVEXMPDYMDQB-UHFFFAOYSA-N 2 1 345.531 3.409 20 0 EGADMP FC(F)Sc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000850396858 1322238063 /nfs/dbraw/zinc/23/80/63/1322238063.db2.gz QBJLQAHCHMYMFU-OAHLLOKOSA-N 2 1 342.455 3.344 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc2c(c1)CCCO2 ZINC000850432942 1322248942 /nfs/dbraw/zinc/24/89/42/1322248942.db2.gz DNGSRVZYLWCWGU-UZLBHIALSA-N 2 1 344.499 3.306 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000850557097 1322266534 /nfs/dbraw/zinc/26/65/34/1322266534.db2.gz NACFQOYXNNFQBA-KNXALSJPSA-N 2 1 331.287 3.347 20 0 EGADMP CS[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000921982040 1322434325 /nfs/dbraw/zinc/43/43/25/1322434325.db2.gz ZVRFKRXEULTWJK-IPMKNSEASA-N 2 1 334.529 3.017 20 0 EGADMP [NH3+]C[C@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)C1CCCCC1 ZINC000923375186 1322742151 /nfs/dbraw/zinc/74/21/51/1322742151.db2.gz ZCFRXIXKCNDIJI-RTWAWAEBSA-N 2 1 326.484 3.240 20 0 EGADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)[C@@H]1CCC[NH3+] ZINC000923386637 1322743972 /nfs/dbraw/zinc/74/39/72/1322743972.db2.gz ADKBBBXSMBKMRL-CSMYWGQOSA-N 2 1 328.859 3.352 20 0 EGADMP CC(C)(C)C[C@@H](NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923493031 1322761266 /nfs/dbraw/zinc/76/12/66/1322761266.db2.gz QERJFKCYSJOMGW-CRAIPNDOSA-N 2 1 349.494 3.090 20 0 EGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001024019228 1323081202 /nfs/dbraw/zinc/08/12/02/1323081202.db2.gz WQQHWAVZXFBUSA-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000851807263 1323095681 /nfs/dbraw/zinc/09/56/81/1323095681.db2.gz DUHBOXFSCKHEFQ-QHAWAJNXSA-N 2 1 348.531 3.056 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000851807263 1323095691 /nfs/dbraw/zinc/09/56/91/1323095691.db2.gz DUHBOXFSCKHEFQ-QHAWAJNXSA-N 2 1 348.531 3.056 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000851807263 1323095697 /nfs/dbraw/zinc/09/56/97/1323095697.db2.gz DUHBOXFSCKHEFQ-QHAWAJNXSA-N 2 1 348.531 3.056 20 0 EGADMP C[C@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cc(CO)on1 ZINC000924670388 1323103955 /nfs/dbraw/zinc/10/39/55/1323103955.db2.gz ZPGAMIWHCUACQO-HOTGVXAUSA-N 2 1 343.471 3.250 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1cnnn1C ZINC000925052582 1323258075 /nfs/dbraw/zinc/25/80/75/1323258075.db2.gz UXAAEFVKNDFEBX-INIZCTEOSA-N 2 1 327.476 3.042 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCCC1 ZINC001024366601 1323340052 /nfs/dbraw/zinc/34/00/52/1323340052.db2.gz TXXLGKYGCMINAB-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCCC1 ZINC001024366601 1323340053 /nfs/dbraw/zinc/34/00/53/1323340053.db2.gz TXXLGKYGCMINAB-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCCC1 ZINC001024366601 1323340058 /nfs/dbraw/zinc/34/00/58/1323340058.db2.gz TXXLGKYGCMINAB-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1 ZINC001024437871 1323398532 /nfs/dbraw/zinc/39/85/32/1323398532.db2.gz XVURNPSBZZPVTD-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024437871 1323398536 /nfs/dbraw/zinc/39/85/36/1323398536.db2.gz XVURNPSBZZPVTD-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024437871 1323398544 /nfs/dbraw/zinc/39/85/44/1323398544.db2.gz XVURNPSBZZPVTD-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP O=C(NC[C@@H]1CCCC[N@H+]1CC1CCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479733 1323432743 /nfs/dbraw/zinc/43/27/43/1323432743.db2.gz OHMIDTDROYUEEA-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCCC[NH+]1CC1CCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479733 1323432749 /nfs/dbraw/zinc/43/27/49/1323432749.db2.gz OHMIDTDROYUEEA-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCCC[NH+]1CC1CCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479733 1323432754 /nfs/dbraw/zinc/43/27/54/1323432754.db2.gz OHMIDTDROYUEEA-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479213 1323433718 /nfs/dbraw/zinc/43/37/18/1323433718.db2.gz BZQSQKSAXOIFPE-DLBZAZTESA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479213 1323433721 /nfs/dbraw/zinc/43/37/21/1323433721.db2.gz BZQSQKSAXOIFPE-DLBZAZTESA-N 2 1 346.519 3.167 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024513417 1323463607 /nfs/dbraw/zinc/46/36/07/1323463607.db2.gz PQFKJQIWUMSZQF-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024513417 1323463611 /nfs/dbraw/zinc/46/36/11/1323463611.db2.gz PQFKJQIWUMSZQF-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001024513417 1323463617 /nfs/dbraw/zinc/46/36/17/1323463617.db2.gz PQFKJQIWUMSZQF-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001024513417 1323463622 /nfs/dbraw/zinc/46/36/22/1323463622.db2.gz PQFKJQIWUMSZQF-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1CCCC1CCCC1)C12CC[NH+](CC1)C2 ZINC001024760484 1323662784 /nfs/dbraw/zinc/66/27/84/1323662784.db2.gz UCXQXIIVUBDPDO-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCCC[N@@H+]2C/C=C\Cl)c1 ZINC001024810395 1323713264 /nfs/dbraw/zinc/71/32/64/1323713264.db2.gz DILZYLZGCLPJAU-OEPRFQHASA-N 2 1 349.906 3.085 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCCC[N@H+]2C/C=C\Cl)c1 ZINC001024810395 1323713269 /nfs/dbraw/zinc/71/32/69/1323713269.db2.gz DILZYLZGCLPJAU-OEPRFQHASA-N 2 1 349.906 3.085 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC2CCC2)c1 ZINC001024810579 1323713993 /nfs/dbraw/zinc/71/39/93/1323713993.db2.gz GXFOOSHJOHKSHZ-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024813642 1323715412 /nfs/dbraw/zinc/71/54/12/1323715412.db2.gz DAWHMZXVYSHQCQ-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3cccc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC000931437335 1329117716 /nfs/dbraw/zinc/11/77/16/1329117716.db2.gz FTMFBNKWOVKDLG-CABCVRRESA-N 2 1 328.378 3.011 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3cccc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC000931437335 1329117718 /nfs/dbraw/zinc/11/77/18/1329117718.db2.gz FTMFBNKWOVKDLG-CABCVRRESA-N 2 1 328.378 3.011 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3cccc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC000931437335 1329117721 /nfs/dbraw/zinc/11/77/21/1329117721.db2.gz FTMFBNKWOVKDLG-CABCVRRESA-N 2 1 328.378 3.011 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001025168618 1323937052 /nfs/dbraw/zinc/93/70/52/1323937052.db2.gz PXRQOJNGRQBAKA-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240695 1324033703 /nfs/dbraw/zinc/03/37/03/1324033703.db2.gz QLPGRDISMFXEDK-OALUTQOASA-N 2 1 347.547 3.282 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCCC[C@H]2[C@H]2CCC[N@H+]2CCC2CC2)CCC1 ZINC001025241098 1324035861 /nfs/dbraw/zinc/03/58/61/1324035861.db2.gz UPDZQGNMADLZGA-MOPGFXCFSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025431828 1324269147 /nfs/dbraw/zinc/26/91/47/1324269147.db2.gz CYLVLFBURKDUKS-CABCVRRESA-N 2 1 337.533 3.050 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025453699 1324294510 /nfs/dbraw/zinc/29/45/10/1324294510.db2.gz SUKBDFUHXFAYQP-RBUKOAKNSA-N 2 1 347.547 3.045 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470404 1324315363 /nfs/dbraw/zinc/31/53/63/1324315363.db2.gz XCLPCIDQUNDPSF-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025474023 1324318798 /nfs/dbraw/zinc/31/87/98/1324318798.db2.gz IHWKIUUAEWXNPU-FUHWJXTLSA-N 2 1 340.471 3.131 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025630798 1324483074 /nfs/dbraw/zinc/48/30/74/1324483074.db2.gz WMXBVJQXADHLEV-ZWKOTPCHSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccccc2)CC1 ZINC001026492404 1324846079 /nfs/dbraw/zinc/84/60/79/1324846079.db2.gz LDGKTDNSWMGTGL-MHJFOBGBSA-N 2 1 343.515 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC2CCC([NH2+]CC3=CCCCC3)CC2)CC[N@H+]1C ZINC001026549154 1324886479 /nfs/dbraw/zinc/88/64/79/1324886479.db2.gz AJPPVNFNRKLEFV-YUKKFIBKSA-N 2 1 347.547 3.234 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001026610609 1324931970 /nfs/dbraw/zinc/93/19/70/1324931970.db2.gz OHPGXWUJUMWDPJ-CTWPCTMYSA-N 2 1 349.563 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026874889 1325059495 /nfs/dbraw/zinc/05/94/95/1325059495.db2.gz BPWDIELRMPGWEG-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCS[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925225552 1325087900 /nfs/dbraw/zinc/08/79/00/1325087900.db2.gz HCCHBEATQFYGSN-OOHRUWKFSA-N 2 1 326.550 3.282 20 0 EGADMP CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000963331031 1325114704 /nfs/dbraw/zinc/11/47/04/1325114704.db2.gz JZODNCTUBLVMSC-WWDZGPRUSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000963331030 1325115319 /nfs/dbraw/zinc/11/53/19/1325115319.db2.gz JZODNCTUBLVMSC-AOCRQIFASA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000963380818 1325181872 /nfs/dbraw/zinc/18/18/72/1325181872.db2.gz XFPUDOCUYXRXDZ-UXHICEINSA-N 2 1 343.515 3.085 20 0 EGADMP O[C@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000925620444 1325234288 /nfs/dbraw/zinc/23/42/88/1325234288.db2.gz GSFJRJIDWAGHSP-FNRAGVLCSA-N 2 1 328.500 3.465 20 0 EGADMP C[C@H]1[NH2+]CCC[C@H]1NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000925621545 1325234843 /nfs/dbraw/zinc/23/48/43/1325234843.db2.gz FBYYGMRKVVJHQH-OXQOHEQNSA-N 2 1 327.472 3.142 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN[C@@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cc1 ZINC000925655062 1325250812 /nfs/dbraw/zinc/25/08/12/1325250812.db2.gz UHVRLLOFTMGQLV-BAGYTPMASA-N 2 1 341.543 3.266 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cc1 ZINC000925655062 1325250822 /nfs/dbraw/zinc/25/08/22/1325250822.db2.gz UHVRLLOFTMGQLV-BAGYTPMASA-N 3 1 341.543 3.266 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cc1 ZINC000925655062 1325250830 /nfs/dbraw/zinc/25/08/30/1325250830.db2.gz UHVRLLOFTMGQLV-BAGYTPMASA-N 3 1 341.543 3.266 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001027163284 1325262939 /nfs/dbraw/zinc/26/29/39/1325262939.db2.gz BKROJSBIJIQPSE-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H](NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)C(C)(C)C[NH+](C)C ZINC000857136373 1325577609 /nfs/dbraw/zinc/57/76/09/1325577609.db2.gz IKFSOTOGQOIVIT-LPHOPBHVSA-N 2 1 345.531 3.202 20 0 EGADMP C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857141956 1325580093 /nfs/dbraw/zinc/58/00/93/1325580093.db2.gz OQHNQFDTMMLCJV-PMACEKPBSA-N 2 1 343.515 3.052 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857147069 1325582321 /nfs/dbraw/zinc/58/23/21/1325582321.db2.gz XYTYYBPHCHNGGZ-SLFFLAALSA-N 2 1 343.515 3.098 20 0 EGADMP C[N@@H+](CCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000926557328 1327615955 /nfs/dbraw/zinc/61/59/55/1327615955.db2.gz BIDYNZIDHPTETM-MRXNPFEDSA-N 2 1 339.524 3.238 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)CCC3CCCCC3)C2)CC[N@H+]1C ZINC001027416944 1327644201 /nfs/dbraw/zinc/64/42/01/1327644201.db2.gz PWGLFKPJNMERDU-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@H+](C)CCC3CCCCC3)C2)CC[NH+]1C ZINC001027416944 1327644209 /nfs/dbraw/zinc/64/42/09/1327644209.db2.gz PWGLFKPJNMERDU-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@@H+](C)CCC3CCCCC3)C2)CC[NH+]1C ZINC001027416944 1327644216 /nfs/dbraw/zinc/64/42/16/1327644216.db2.gz PWGLFKPJNMERDU-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CCC(C[N@@H+](C)[C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)CC1 ZINC001027441247 1327681682 /nfs/dbraw/zinc/68/16/82/1327681682.db2.gz CBENTSRCXLLKHM-QLOJAFMTSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CCC(C[NH+](C)[C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001027441247 1327681688 /nfs/dbraw/zinc/68/16/88/1327681688.db2.gz CBENTSRCXLLKHM-QLOJAFMTSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CCC(C[NH+](C)[C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001027441247 1327681700 /nfs/dbraw/zinc/68/17/00/1327681700.db2.gz CBENTSRCXLLKHM-QLOJAFMTSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](CC1CCC1)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027442338 1327682647 /nfs/dbraw/zinc/68/26/47/1327682647.db2.gz DLXWBYOCUORZHL-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CCC1)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001027442338 1327682649 /nfs/dbraw/zinc/68/26/49/1327682649.db2.gz DLXWBYOCUORZHL-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CCC1)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001027442338 1327682652 /nfs/dbraw/zinc/68/26/52/1327682652.db2.gz DLXWBYOCUORZHL-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(Br)n1 ZINC000926752088 1327700631 /nfs/dbraw/zinc/70/06/31/1327700631.db2.gz CYDQOXVDLZHBAV-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(Br)n1 ZINC000926752088 1327700634 /nfs/dbraw/zinc/70/06/34/1327700634.db2.gz CYDQOXVDLZHBAV-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027481836 1327735829 /nfs/dbraw/zinc/73/58/29/1327735829.db2.gz WYQYTJXDGYMELY-IBGZPJMESA-N 2 1 348.450 3.071 20 0 EGADMP CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542503 1327845191 /nfs/dbraw/zinc/84/51/91/1327845191.db2.gz MEQSKXLLTUKJMS-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027542503 1327845198 /nfs/dbraw/zinc/84/51/98/1327845198.db2.gz MEQSKXLLTUKJMS-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027542503 1327845204 /nfs/dbraw/zinc/84/52/04/1327845204.db2.gz MEQSKXLLTUKJMS-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP C[N@@H+](CC1CC1)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027541845 1327845408 /nfs/dbraw/zinc/84/54/08/1327845408.db2.gz CBKVVJSCGWMIFQ-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CC1)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027541845 1327845413 /nfs/dbraw/zinc/84/54/13/1327845413.db2.gz CBKVVJSCGWMIFQ-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CC1)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027541845 1327845418 /nfs/dbraw/zinc/84/54/18/1327845418.db2.gz CBKVVJSCGWMIFQ-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@@H+](CC1=CCCCC1)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027576971 1327913195 /nfs/dbraw/zinc/91/31/95/1327913195.db2.gz BDDWBSPFOXSVTH-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001027576971 1327913201 /nfs/dbraw/zinc/91/32/01/1327913201.db2.gz BDDWBSPFOXSVTH-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001027576971 1327913214 /nfs/dbraw/zinc/91/32/14/1327913214.db2.gz BDDWBSPFOXSVTH-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2c(C)cccc2C)C1)[NH+](C)C ZINC001027580826 1327917382 /nfs/dbraw/zinc/91/73/82/1327917382.db2.gz BDUUEFNDFCNGAK-ICSRJNTNSA-N 2 1 345.531 3.066 20 0 EGADMP C[N@@H+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027651154 1328032162 /nfs/dbraw/zinc/03/21/62/1328032162.db2.gz LPCOIVIHYXGJSM-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001027651154 1328032170 /nfs/dbraw/zinc/03/21/70/1328032170.db2.gz LPCOIVIHYXGJSM-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001027651154 1328032178 /nfs/dbraw/zinc/03/21/78/1328032178.db2.gz LPCOIVIHYXGJSM-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]([N@H+](C)CC2CCCCCC2)C1 ZINC001027682003 1328080222 /nfs/dbraw/zinc/08/02/22/1328080222.db2.gz IBMROWSTVRJWOE-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC001027682003 1328080226 /nfs/dbraw/zinc/08/02/26/1328080226.db2.gz IBMROWSTVRJWOE-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1)[NH+]1CCCCC1 ZINC001027694490 1328100938 /nfs/dbraw/zinc/10/09/38/1328100938.db2.gz AERKCTHVCCPCNU-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CC(C[N@@H+]2CCC[C@@H]2CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001027912407 1328386525 /nfs/dbraw/zinc/38/65/25/1328386525.db2.gz BVJWSPXDNKMYRF-VMBOVVBDSA-N 2 1 349.544 3.050 20 0 EGADMP CC1CC(C[N@H+]2CCC[C@@H]2CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001027912407 1328386530 /nfs/dbraw/zinc/38/65/30/1328386530.db2.gz BVJWSPXDNKMYRF-VMBOVVBDSA-N 2 1 349.544 3.050 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027917910 1328394076 /nfs/dbraw/zinc/39/40/76/1328394076.db2.gz HOECPUAXBGTFQJ-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001027917910 1328394087 /nfs/dbraw/zinc/39/40/87/1328394087.db2.gz HOECPUAXBGTFQJ-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001027917910 1328394092 /nfs/dbraw/zinc/39/40/92/1328394092.db2.gz HOECPUAXBGTFQJ-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001027919223 1328396462 /nfs/dbraw/zinc/39/64/62/1328396462.db2.gz UKMFKXYLYJXTQG-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC001027919223 1328396466 /nfs/dbraw/zinc/39/64/66/1328396466.db2.gz UKMFKXYLYJXTQG-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1=CCCCC1 ZINC001027919223 1328396471 /nfs/dbraw/zinc/39/64/71/1328396471.db2.gz UKMFKXYLYJXTQG-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)CC[C@H]([NH3+])c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000863659143 1329571593 /nfs/dbraw/zinc/57/15/93/1329571593.db2.gz COSSWQMNEDZSOW-INIZCTEOSA-N 2 1 332.448 3.113 20 0 EGADMP COCCC[N@@H+](C)CCOc1ccc(-c2ccc3c(c2)C[NH2+]C3)cc1 ZINC000863691746 1329575508 /nfs/dbraw/zinc/57/55/08/1329575508.db2.gz JUFFGIPEDKYVQA-UHFFFAOYSA-N 2 1 340.467 3.304 20 0 EGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H]3CCC[N@H+]3C(C)C)c2C1 ZINC000935000216 1330022529 /nfs/dbraw/zinc/02/25/29/1330022529.db2.gz RFCVKSILHCRPQI-LJQANCHMSA-N 2 1 329.488 3.470 20 0 EGADMP C[C@H]1C[C@@H](CCNC(=O)CC[NH2+]C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000935058011 1330025768 /nfs/dbraw/zinc/02/57/68/1330025768.db2.gz FLQQDOJKUMASGD-PKOBYXMFSA-N 2 1 345.531 3.182 20 0 EGADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000935327416 1330044858 /nfs/dbraw/zinc/04/48/58/1330044858.db2.gz DELPATNDSYGYKZ-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000866665572 1330139233 /nfs/dbraw/zinc/13/92/33/1330139233.db2.gz GWLNISWRSNGMOO-AWEZNQCLSA-N 2 1 335.879 3.051 20 0 EGADMP COc1ccccc1[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000866717747 1330144387 /nfs/dbraw/zinc/14/43/87/1330144387.db2.gz OIISOZKHMSCWOY-CQSZACIVSA-N 2 1 344.459 3.042 20 0 EGADMP COc1ccccc1[C@@H]1CCC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000866717747 1330144388 /nfs/dbraw/zinc/14/43/88/1330144388.db2.gz OIISOZKHMSCWOY-CQSZACIVSA-N 2 1 344.459 3.042 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC000939237316 1330410638 /nfs/dbraw/zinc/41/06/38/1330410638.db2.gz UYEVPOPGECUURL-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@H]1C[N@@H+](CC2=CCCCC2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556167 1331971505 /nfs/dbraw/zinc/97/15/05/1331971505.db2.gz WKDZFOBQSPDVIH-HKUYNNGSSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942720400 1332024800 /nfs/dbraw/zinc/02/48/00/1332024800.db2.gz IQHJBPOFEMDUNX-YLJYHZDGSA-N 2 1 345.531 3.031 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945338328 1332561192 /nfs/dbraw/zinc/56/11/92/1332561192.db2.gz ZYAGRJZYMHVUKL-WMZOPIPTSA-N 2 1 349.519 3.362 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](CCC(C)(C)C)C[C@H]2CC1)C1CCC1 ZINC000946623507 1332864429 /nfs/dbraw/zinc/86/44/29/1332864429.db2.gz KRLXYTDBICXGPP-HDICACEKSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2CC1)C1CCC1 ZINC000946623507 1332864435 /nfs/dbraw/zinc/86/44/35/1332864435.db2.gz KRLXYTDBICXGPP-HDICACEKSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]2CC1)C1CCC1 ZINC000946623507 1332864439 /nfs/dbraw/zinc/86/44/39/1332864439.db2.gz KRLXYTDBICXGPP-HDICACEKSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC000947436442 1333126683 /nfs/dbraw/zinc/12/66/83/1333126683.db2.gz IXBGGTPOKCTKBH-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1CC1CCCC1 ZINC000947552257 1333169778 /nfs/dbraw/zinc/16/97/78/1333169778.db2.gz SWAFSGGXGZSWSE-MAUKXSAKSA-N 2 1 340.471 3.107 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCC1CCCCCC1 ZINC000948040124 1333350130 /nfs/dbraw/zinc/35/01/30/1333350130.db2.gz MXDRLSWMIYGQIW-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)[C@@H](C)C1 ZINC000948044215 1333352323 /nfs/dbraw/zinc/35/23/23/1333352323.db2.gz ODIYKZXGFWKXII-LPHOPBHVSA-N 2 1 344.503 3.051 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)[C@@H](C)C1 ZINC000948044215 1333352327 /nfs/dbraw/zinc/35/23/27/1333352327.db2.gz ODIYKZXGFWKXII-LPHOPBHVSA-N 2 1 344.503 3.051 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(C)C)[C@H](C)C2)o1 ZINC000948079515 1333368701 /nfs/dbraw/zinc/36/87/01/1333368701.db2.gz XARNJPJEBCZRSN-SJORKVTESA-N 2 1 349.519 3.360 20 0 EGADMP CCC[N@H+]1CCC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000948416844 1333517209 /nfs/dbraw/zinc/51/72/09/1333517209.db2.gz QSIUXYBXCZKKFW-INIZCTEOSA-N 2 1 337.533 3.146 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](CC3CCC3)CC2)C1 ZINC000948435701 1333523927 /nfs/dbraw/zinc/52/39/27/1333523927.db2.gz NZGWNQSDSLBJCW-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](CC3CCC3)CC2)C1 ZINC000948435701 1333523929 /nfs/dbraw/zinc/52/39/29/1333523929.db2.gz NZGWNQSDSLBJCW-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CC3CCC3)CC2)C1 ZINC000948435701 1333523934 /nfs/dbraw/zinc/52/39/34/1333523934.db2.gz NZGWNQSDSLBJCW-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948574506 1333583278 /nfs/dbraw/zinc/58/32/78/1333583278.db2.gz GXEOCAFXYRKNIH-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948574506 1333583279 /nfs/dbraw/zinc/58/32/79/1333583279.db2.gz GXEOCAFXYRKNIH-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948574506 1333583281 /nfs/dbraw/zinc/58/32/81/1333583281.db2.gz GXEOCAFXYRKNIH-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948574821 1333583536 /nfs/dbraw/zinc/58/35/36/1333583536.db2.gz LMJSKWRQQUVTOM-WOJBJXKFSA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574821 1333583538 /nfs/dbraw/zinc/58/35/38/1333583538.db2.gz LMJSKWRQQUVTOM-WOJBJXKFSA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574821 1333583541 /nfs/dbraw/zinc/58/35/41/1333583541.db2.gz LMJSKWRQQUVTOM-WOJBJXKFSA-N 2 1 349.563 3.386 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC(C)C)CC2)C1 ZINC000948710315 1333641857 /nfs/dbraw/zinc/64/18/57/1333641857.db2.gz AFCHBHGQISBLHA-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](CC(C)C)CC2)C1 ZINC000948710315 1333641860 /nfs/dbraw/zinc/64/18/60/1333641860.db2.gz AFCHBHGQISBLHA-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CC(C)C)CC2)C1 ZINC000948710315 1333641864 /nfs/dbraw/zinc/64/18/64/1333641864.db2.gz AFCHBHGQISBLHA-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC(C)C)CC2)C1 ZINC000948710311 1333641907 /nfs/dbraw/zinc/64/19/07/1333641907.db2.gz AFCHBHGQISBLHA-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CC(C)C)CC2)C1 ZINC000948710311 1333641911 /nfs/dbraw/zinc/64/19/11/1333641911.db2.gz AFCHBHGQISBLHA-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CC(C)C)CC2)C1 ZINC000948710311 1333641915 /nfs/dbraw/zinc/64/19/15/1333641915.db2.gz AFCHBHGQISBLHA-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[NH+](CC2CCC(C)CC2)CC1 ZINC000948755792 1333663394 /nfs/dbraw/zinc/66/33/94/1333663394.db2.gz LQKPTOAUYPKMHE-SOAGJPPSSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC000948775730 1333674168 /nfs/dbraw/zinc/67/41/68/1333674168.db2.gz PMYREOMTDIJCKT-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000948775730 1333674169 /nfs/dbraw/zinc/67/41/69/1333674169.db2.gz PMYREOMTDIJCKT-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000948775730 1333674170 /nfs/dbraw/zinc/67/41/70/1333674170.db2.gz PMYREOMTDIJCKT-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CCC[NH+](CC3=CCCCC3)CC2)C1 ZINC000948778693 1333676054 /nfs/dbraw/zinc/67/60/54/1333676054.db2.gz BLXVPPVPNXELPL-AZUAARDMSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@H+](CC3=CCCCC3)CC2)C1 ZINC000948778693 1333676057 /nfs/dbraw/zinc/67/60/57/1333676057.db2.gz BLXVPPVPNXELPL-AZUAARDMSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@@H+](CC3=CCCCC3)CC2)C1 ZINC000948778693 1333676058 /nfs/dbraw/zinc/67/60/58/1333676058.db2.gz BLXVPPVPNXELPL-AZUAARDMSA-N 2 1 347.547 3.142 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948851817 1333709082 /nfs/dbraw/zinc/70/90/82/1333709082.db2.gz BOGUGINYRGANJL-HXUWFJFHSA-N 2 1 345.531 3.475 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000949043375 1333769932 /nfs/dbraw/zinc/76/99/32/1333769932.db2.gz SCJIEWMKIBNJGJ-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000949623839 1333884776 /nfs/dbraw/zinc/88/47/76/1333884776.db2.gz OLNUTTSTEHZIQZ-GOSISDBHSA-N 2 1 343.515 3.075 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000951195161 1334203723 /nfs/dbraw/zinc/20/37/23/1334203723.db2.gz FYBMCJYOKYHVEV-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC3=CCCCC3)CC[C@H]2C)CC1 ZINC000968460247 1335932297 /nfs/dbraw/zinc/93/22/97/1335932297.db2.gz RKUMNVGZHGEDKE-UYAOXDASSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCCC1CCC1 ZINC000968782707 1336048382 /nfs/dbraw/zinc/04/83/82/1336048382.db2.gz YQQCCUHOQDTRRJ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCCC1CCC1 ZINC000968782707 1336048384 /nfs/dbraw/zinc/04/83/84/1336048384.db2.gz YQQCCUHOQDTRRJ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCCC1CCC1 ZINC000968782707 1336048386 /nfs/dbraw/zinc/04/83/86/1336048386.db2.gz YQQCCUHOQDTRRJ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000968858931 1336070905 /nfs/dbraw/zinc/07/09/05/1336070905.db2.gz JZWOTPGHEJAQNG-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000968858931 1336070907 /nfs/dbraw/zinc/07/09/07/1336070907.db2.gz JZWOTPGHEJAQNG-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000968858931 1336070911 /nfs/dbraw/zinc/07/09/11/1336070911.db2.gz JZWOTPGHEJAQNG-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC2CC(C)(C)C2)CC[N@H+]1C ZINC000968863936 1336072190 /nfs/dbraw/zinc/07/21/90/1336072190.db2.gz NFANHZKEEDUDDP-NZSAHSFTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC2CC(C)(C)C2)CC[NH+]1C ZINC000968863936 1336072193 /nfs/dbraw/zinc/07/21/93/1336072193.db2.gz NFANHZKEEDUDDP-NZSAHSFTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC2CC(C)(C)C2)CC[NH+]1C ZINC000968863936 1336072196 /nfs/dbraw/zinc/07/21/96/1336072196.db2.gz NFANHZKEEDUDDP-NZSAHSFTSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC(C)C ZINC000968928058 1336092376 /nfs/dbraw/zinc/09/23/76/1336092376.db2.gz ASUQNIZHKONYOD-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC(C)C ZINC000968928058 1336092379 /nfs/dbraw/zinc/09/23/79/1336092379.db2.gz ASUQNIZHKONYOD-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC(C)C ZINC000968928058 1336092381 /nfs/dbraw/zinc/09/23/81/1336092381.db2.gz ASUQNIZHKONYOD-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC(C)C)C1 ZINC000968990708 1336112492 /nfs/dbraw/zinc/11/24/92/1336112492.db2.gz KZZFUMRTDVZHER-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC(C)C)C1 ZINC000968990708 1336112493 /nfs/dbraw/zinc/11/24/93/1336112493.db2.gz KZZFUMRTDVZHER-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC(C)C)C1 ZINC000968990708 1336112494 /nfs/dbraw/zinc/11/24/94/1336112494.db2.gz KZZFUMRTDVZHER-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969004848 1336115698 /nfs/dbraw/zinc/11/56/98/1336115698.db2.gz FJXNLVZGDIJBQO-GOSISDBHSA-N 2 1 347.503 3.282 20 0 EGADMP CC(C)=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969004848 1336115701 /nfs/dbraw/zinc/11/57/01/1336115701.db2.gz FJXNLVZGDIJBQO-GOSISDBHSA-N 2 1 347.503 3.282 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCC1 ZINC000969059869 1336133844 /nfs/dbraw/zinc/13/38/44/1336133844.db2.gz TWLHJBYDZQLCEI-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCC1 ZINC000969059869 1336133847 /nfs/dbraw/zinc/13/38/47/1336133847.db2.gz TWLHJBYDZQLCEI-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCC1 ZINC000969059869 1336133848 /nfs/dbraw/zinc/13/38/48/1336133848.db2.gz TWLHJBYDZQLCEI-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000969099353 1336142724 /nfs/dbraw/zinc/14/27/24/1336142724.db2.gz NVDDQWCSSVNHHY-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000969152457 1336164494 /nfs/dbraw/zinc/16/44/94/1336164494.db2.gz UNFDCSLJHYLQES-QGZVFWFLSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2=CCCCC2)C1 ZINC000969648089 1336233510 /nfs/dbraw/zinc/23/35/10/1336233510.db2.gz IUYJOVFVGDBANY-FXAWDEMLSA-N 2 1 347.547 3.186 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000969948321 1336263900 /nfs/dbraw/zinc/26/39/00/1336263900.db2.gz JTSDJOIFYWCAJN-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C2CC[NH+](CC3CCCC3)CC2)C1 ZINC001005490366 1336360383 /nfs/dbraw/zinc/36/03/83/1336360383.db2.gz AHDHBKGASSZEMD-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1CC[NH+](CC2CCCC2)CC1 ZINC001005502938 1336363181 /nfs/dbraw/zinc/36/31/81/1336363181.db2.gz FZXDJNJZJBTMLG-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001005639268 1336386562 /nfs/dbraw/zinc/38/65/62/1336386562.db2.gz HRDKVDDVJMDAIP-HKUYNNGSSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001005642575 1336386920 /nfs/dbraw/zinc/38/69/20/1336386920.db2.gz HZMQUGADFULCIP-QLOJAFMTSA-N 2 1 349.563 3.076 20 0 EGADMP COc1ccc(Br)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205617839 1370813405 /nfs/dbraw/zinc/81/34/05/1370813405.db2.gz OLPBQTATOSEGCZ-OLZOCXBDSA-N 2 1 341.293 3.265 20 0 EGADMP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001005873493 1336414262 /nfs/dbraw/zinc/41/42/62/1336414262.db2.gz PIVOMVVDUAPCQN-LJQANCHMSA-N 2 1 335.536 3.116 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001006084113 1336449752 /nfs/dbraw/zinc/44/97/52/1336449752.db2.gz MUUUQNFEKVGQFJ-MJGOQNOKSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2CCCC2)CC1 ZINC001006085479 1336450289 /nfs/dbraw/zinc/45/02/89/1336450289.db2.gz WMDXSNLPEOOQOF-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001006121289 1336455086 /nfs/dbraw/zinc/45/50/86/1336455086.db2.gz UWCLKIXSCPLTGC-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001007455039 1336649686 /nfs/dbraw/zinc/64/96/86/1336649686.db2.gz BUASWEWCWPDHRP-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001007455039 1336649687 /nfs/dbraw/zinc/64/96/87/1336649687.db2.gz BUASWEWCWPDHRP-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001007455039 1336649691 /nfs/dbraw/zinc/64/96/91/1336649691.db2.gz BUASWEWCWPDHRP-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001007456437 1336650601 /nfs/dbraw/zinc/65/06/01/1336650601.db2.gz GUPLLABKSXQSHS-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001007456437 1336650605 /nfs/dbraw/zinc/65/06/05/1336650605.db2.gz GUPLLABKSXQSHS-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP COc1cc(Br)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206022247 1370940964 /nfs/dbraw/zinc/94/09/64/1370940964.db2.gz BQIAIVUZRLYJHV-GXTWGEPZSA-N 2 1 341.293 3.265 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001008726320 1336917398 /nfs/dbraw/zinc/91/73/98/1336917398.db2.gz JFKWTVQZVCVPHO-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001008726320 1336917399 /nfs/dbraw/zinc/91/73/99/1336917399.db2.gz JFKWTVQZVCVPHO-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001008740631 1336918549 /nfs/dbraw/zinc/91/85/49/1336918549.db2.gz UISGTEIZOHYYBA-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001008740631 1336918551 /nfs/dbraw/zinc/91/85/51/1336918551.db2.gz UISGTEIZOHYYBA-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001008740634 1336918727 /nfs/dbraw/zinc/91/87/27/1336918727.db2.gz UISGTEIZOHYYBA-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001008740634 1336918729 /nfs/dbraw/zinc/91/87/29/1336918729.db2.gz UISGTEIZOHYYBA-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001008746901 1336918980 /nfs/dbraw/zinc/91/89/80/1336918980.db2.gz KOQDBYXTPLWKFI-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001008747481 1336919668 /nfs/dbraw/zinc/91/96/68/1336919668.db2.gz LIEBBIYXBQAFAX-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008883160 1336937589 /nfs/dbraw/zinc/93/75/89/1336937589.db2.gz PVUKRURDCBFEPN-HXUWFJFHSA-N 2 1 345.531 3.379 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001009197258 1336985285 /nfs/dbraw/zinc/98/52/85/1336985285.db2.gz BVVSLZYYHZCMPG-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001009197258 1336985288 /nfs/dbraw/zinc/98/52/88/1336985288.db2.gz BVVSLZYYHZCMPG-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001009197258 1336985292 /nfs/dbraw/zinc/98/52/92/1336985292.db2.gz BVVSLZYYHZCMPG-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001009625484 1337048384 /nfs/dbraw/zinc/04/83/84/1337048384.db2.gz DLMWRVBHDPZSAS-GOSISDBHSA-N 2 1 345.531 3.379 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009680163 1337059700 /nfs/dbraw/zinc/05/97/00/1337059700.db2.gz FMVAZJPRWLCRNI-SJORKVTESA-N 2 1 349.519 3.362 20 0 EGADMP CC1CCC(C[N@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001014423567 1337773464 /nfs/dbraw/zinc/77/34/64/1337773464.db2.gz KAVXRTOFJXRPGE-ACBHZAAOSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433447 1337776657 /nfs/dbraw/zinc/77/66/57/1337776657.db2.gz KJNWBGQKHRPCQV-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014433447 1337776660 /nfs/dbraw/zinc/77/66/60/1337776660.db2.gz KJNWBGQKHRPCQV-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014433447 1337776663 /nfs/dbraw/zinc/77/66/63/1337776663.db2.gz KJNWBGQKHRPCQV-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014630168 1337853478 /nfs/dbraw/zinc/85/34/78/1337853478.db2.gz MRIWOGBJTAQUMI-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001014630168 1337853482 /nfs/dbraw/zinc/85/34/82/1337853482.db2.gz MRIWOGBJTAQUMI-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001014630168 1337853485 /nfs/dbraw/zinc/85/34/85/1337853485.db2.gz MRIWOGBJTAQUMI-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCC3CCCCC3)C2)C1 ZINC001014708309 1337877346 /nfs/dbraw/zinc/87/73/46/1337877346.db2.gz VVKZKYYKAKNBOC-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CCC3CCCCC3)C2)C1 ZINC001014708309 1337877349 /nfs/dbraw/zinc/87/73/49/1337877349.db2.gz VVKZKYYKAKNBOC-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001014708309 1337877354 /nfs/dbraw/zinc/87/73/54/1337877354.db2.gz VVKZKYYKAKNBOC-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001015056104 1338004104 /nfs/dbraw/zinc/00/41/04/1338004104.db2.gz GOURKUSYQLKSHS-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001015056104 1338004109 /nfs/dbraw/zinc/00/41/09/1338004109.db2.gz GOURKUSYQLKSHS-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001015056104 1338004112 /nfs/dbraw/zinc/00/41/12/1338004112.db2.gz GOURKUSYQLKSHS-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001015112018 1338022926 /nfs/dbraw/zinc/02/29/26/1338022926.db2.gz AXNKXHWFXRUVTM-QFBILLFUSA-N 2 1 348.450 3.208 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CC2CCCCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001015386415 1338119890 /nfs/dbraw/zinc/11/98/90/1338119890.db2.gz HJZKFYNJQWKQDB-PMACEKPBSA-N 2 1 347.547 3.022 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001015504582 1338162015 /nfs/dbraw/zinc/16/20/15/1338162015.db2.gz PNACCGNMUDNHAA-MJGOQNOKSA-N 2 1 343.515 3.121 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCC3CCCCC3)C2)C1 ZINC001015596258 1338200275 /nfs/dbraw/zinc/20/02/75/1338200275.db2.gz AEFCILHQKURZIY-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CCC3CCCCC3)C2)C1 ZINC001015596258 1338200285 /nfs/dbraw/zinc/20/02/85/1338200285.db2.gz AEFCILHQKURZIY-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001015596258 1338200287 /nfs/dbraw/zinc/20/02/87/1338200287.db2.gz AEFCILHQKURZIY-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795814 1338315255 /nfs/dbraw/zinc/31/52/55/1338315255.db2.gz SRQQLLWHCGRKSO-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001015971592 1338384523 /nfs/dbraw/zinc/38/45/23/1338384523.db2.gz BRLVOONWGRQQAH-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001015971592 1338384526 /nfs/dbraw/zinc/38/45/26/1338384526.db2.gz BRLVOONWGRQQAH-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001015971592 1338384528 /nfs/dbraw/zinc/38/45/28/1338384528.db2.gz BRLVOONWGRQQAH-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001015974027 1338387818 /nfs/dbraw/zinc/38/78/18/1338387818.db2.gz WTZVCOCBTDPZGD-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001015974027 1338387820 /nfs/dbraw/zinc/38/78/20/1338387820.db2.gz WTZVCOCBTDPZGD-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001015974027 1338387826 /nfs/dbraw/zinc/38/78/26/1338387826.db2.gz WTZVCOCBTDPZGD-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001016340475 1338555067 /nfs/dbraw/zinc/55/50/67/1338555067.db2.gz WTCCQOOHYRJXIV-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001016340475 1338555071 /nfs/dbraw/zinc/55/50/71/1338555071.db2.gz WTCCQOOHYRJXIV-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001016340475 1338555074 /nfs/dbraw/zinc/55/50/74/1338555074.db2.gz WTCCQOOHYRJXIV-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCC1CCC1)CC2 ZINC001016686910 1338689804 /nfs/dbraw/zinc/68/98/04/1338689804.db2.gz DQXUPGQDYDFRIL-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016702137 1338696011 /nfs/dbraw/zinc/69/60/11/1338696011.db2.gz LBHDCSNXKFSZRZ-RTBURBONSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001017129246 1338884585 /nfs/dbraw/zinc/88/45/85/1338884585.db2.gz YLFCCIGWWAFKPH-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001017129246 1338884591 /nfs/dbraw/zinc/88/45/91/1338884591.db2.gz YLFCCIGWWAFKPH-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001017129246 1338884595 /nfs/dbraw/zinc/88/45/95/1338884595.db2.gz YLFCCIGWWAFKPH-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH+](C)CC3CCCCC3)C2)CC[N@H+]1C ZINC001017133594 1338886554 /nfs/dbraw/zinc/88/65/54/1338886554.db2.gz SZUOGQGWAQFSQU-YZGWKJHDSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)CC3CCCCC3)C2)CC[NH+]1C ZINC001017133594 1338886557 /nfs/dbraw/zinc/88/65/57/1338886557.db2.gz SZUOGQGWAQFSQU-YZGWKJHDSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)CC3CCCCC3)C2)CC[NH+]1C ZINC001017133594 1338886561 /nfs/dbraw/zinc/88/65/61/1338886561.db2.gz SZUOGQGWAQFSQU-YZGWKJHDSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H](C[N@@H+](C)C(C)C)C2)o1 ZINC001017264822 1338990028 /nfs/dbraw/zinc/99/00/28/1338990028.db2.gz SPGNGBQXYJPVFY-QGZVFWFLSA-N 2 1 349.519 3.314 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)C(C)C)C1)[NH+]1CCCCC1 ZINC001017265911 1338991193 /nfs/dbraw/zinc/99/11/93/1338991193.db2.gz GTYJIMCWBWLQBL-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1)[NH+]1CCCC1 ZINC001017265944 1338992484 /nfs/dbraw/zinc/99/24/84/1338992484.db2.gz HBXFDYYRVQFXFN-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001017554874 1339366759 /nfs/dbraw/zinc/36/67/59/1339366759.db2.gz FQXSHKOFWBDJLR-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001017554874 1339366760 /nfs/dbraw/zinc/36/67/60/1339366760.db2.gz FQXSHKOFWBDJLR-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001017554874 1339366763 /nfs/dbraw/zinc/36/67/63/1339366763.db2.gz FQXSHKOFWBDJLR-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001017618667 1339377843 /nfs/dbraw/zinc/37/78/43/1339377843.db2.gz UEHIRWCPDOSXNI-HSALFYBXSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001017618667 1339377844 /nfs/dbraw/zinc/37/78/44/1339377844.db2.gz UEHIRWCPDOSXNI-HSALFYBXSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001017618667 1339377847 /nfs/dbraw/zinc/37/78/47/1339377847.db2.gz UEHIRWCPDOSXNI-HSALFYBXSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001017618667 1339377848 /nfs/dbraw/zinc/37/78/48/1339377848.db2.gz UEHIRWCPDOSXNI-HSALFYBXSA-N 2 1 345.531 3.035 20 0 EGADMP CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[N@@H+]([C@@H](CC)c1ccccc1)C2)[NH+](C)C ZINC001017959591 1339468195 /nfs/dbraw/zinc/46/81/95/1339468195.db2.gz UKPYIQKHXCVCTK-YRPNKDGESA-N 2 1 343.515 3.153 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001028089305 1340418778 /nfs/dbraw/zinc/41/87/78/1340418778.db2.gz YGYWQLICDQSNLU-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001028089305 1340418782 /nfs/dbraw/zinc/41/87/82/1340418782.db2.gz YGYWQLICDQSNLU-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001028089305 1340418785 /nfs/dbraw/zinc/41/87/85/1340418785.db2.gz YGYWQLICDQSNLU-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CCC1CC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093873 1340422141 /nfs/dbraw/zinc/42/21/41/1340422141.db2.gz PUHKYGNDGCHSDA-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CCC1CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093873 1340422144 /nfs/dbraw/zinc/42/21/44/1340422144.db2.gz PUHKYGNDGCHSDA-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CCC1CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093873 1340422145 /nfs/dbraw/zinc/42/21/45/1340422145.db2.gz PUHKYGNDGCHSDA-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028114549 1340436350 /nfs/dbraw/zinc/43/63/50/1340436350.db2.gz IRTLEJYPIOIUJL-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001028181280 1340472175 /nfs/dbraw/zinc/47/21/75/1340472175.db2.gz QFRIEQGNODKRBT-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001028181280 1340472177 /nfs/dbraw/zinc/47/21/77/1340472177.db2.gz QFRIEQGNODKRBT-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001028181280 1340472179 /nfs/dbraw/zinc/47/21/79/1340472179.db2.gz QFRIEQGNODKRBT-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1csc(C)c1 ZINC001028334982 1340572578 /nfs/dbraw/zinc/57/25/78/1340572578.db2.gz LZINEORPGHROQU-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1csc(C)c1 ZINC001028334982 1340572582 /nfs/dbraw/zinc/57/25/82/1340572582.db2.gz LZINEORPGHROQU-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1csc(C)c1 ZINC001028334982 1340572583 /nfs/dbraw/zinc/57/25/83/1340572583.db2.gz LZINEORPGHROQU-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP O=C(NC[C@H]1CC[N@@H+](CC2CCCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001028659084 1340745342 /nfs/dbraw/zinc/74/53/42/1340745342.db2.gz NVTYZNBGKFTMET-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028661138 1340746080 /nfs/dbraw/zinc/74/60/80/1340746080.db2.gz GDGYNZAWSSGXSX-IRXDYDNUSA-N 2 1 348.450 3.147 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001028756154 1340791179 /nfs/dbraw/zinc/79/11/79/1340791179.db2.gz YBNUHPIEZSLAEZ-WOJBJXKFSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001028756154 1340791181 /nfs/dbraw/zinc/79/11/81/1340791181.db2.gz YBNUHPIEZSLAEZ-WOJBJXKFSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001028756154 1340791184 /nfs/dbraw/zinc/79/11/84/1340791184.db2.gz YBNUHPIEZSLAEZ-WOJBJXKFSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755240 1340791824 /nfs/dbraw/zinc/79/18/24/1340791824.db2.gz JTENJLQYQKFKNI-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755240 1340791827 /nfs/dbraw/zinc/79/18/27/1340791827.db2.gz JTENJLQYQKFKNI-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755240 1340791829 /nfs/dbraw/zinc/79/18/29/1340791829.db2.gz JTENJLQYQKFKNI-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001028845144 1340855683 /nfs/dbraw/zinc/85/56/83/1340855683.db2.gz GXSZNTGRPBUODX-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001028845144 1340855689 /nfs/dbraw/zinc/85/56/89/1340855689.db2.gz GXSZNTGRPBUODX-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001028845144 1340855695 /nfs/dbraw/zinc/85/56/95/1340855695.db2.gz GXSZNTGRPBUODX-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870277 1340869626 /nfs/dbraw/zinc/86/96/26/1340869626.db2.gz NRCVFVLKGQLQEH-IBGZPJMESA-N 2 1 345.531 3.236 20 0 EGADMP C[C@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001029111539 1340932419 /nfs/dbraw/zinc/93/24/19/1340932419.db2.gz JVLVNMUGYVKRJS-QFBILLFUSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001029114638 1340933562 /nfs/dbraw/zinc/93/35/62/1340933562.db2.gz DRNWENZMJGDYAG-YLJYHZDGSA-N 2 1 347.547 3.188 20 0 EGADMP CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001029132925 1340938948 /nfs/dbraw/zinc/93/89/48/1340938948.db2.gz BXQGASRIBKQTNZ-LPHOPBHVSA-N 2 1 335.536 3.020 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)CC ZINC001029314272 1340970365 /nfs/dbraw/zinc/97/03/65/1340970365.db2.gz MDDQLVZIEAJQIF-XDNAFOTISA-N 2 1 346.519 3.118 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001029314272 1340970366 /nfs/dbraw/zinc/97/03/66/1340970366.db2.gz MDDQLVZIEAJQIF-XDNAFOTISA-N 2 1 346.519 3.118 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001029359854 1340977289 /nfs/dbraw/zinc/97/72/89/1340977289.db2.gz LMXZBNDAZJTDLJ-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001029359854 1340977290 /nfs/dbraw/zinc/97/72/90/1340977290.db2.gz LMXZBNDAZJTDLJ-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC001029359854 1340977291 /nfs/dbraw/zinc/97/72/91/1340977291.db2.gz LMXZBNDAZJTDLJ-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001029599092 1341019240 /nfs/dbraw/zinc/01/92/40/1341019240.db2.gz UJIVFSVGCXIXBJ-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001029599092 1341019241 /nfs/dbraw/zinc/01/92/41/1341019241.db2.gz UJIVFSVGCXIXBJ-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001029599092 1341019242 /nfs/dbraw/zinc/01/92/42/1341019242.db2.gz UJIVFSVGCXIXBJ-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC2CC(C)C2)CC1 ZINC001029969740 1341138641 /nfs/dbraw/zinc/13/86/41/1341138641.db2.gz UPSIQQMYKGBWMO-UUKMXZOPSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC2CC(C)C2)CC1 ZINC001029969740 1341138642 /nfs/dbraw/zinc/13/86/42/1341138642.db2.gz UPSIQQMYKGBWMO-UUKMXZOPSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC2CC(C)C2)CC1 ZINC001029969740 1341138643 /nfs/dbraw/zinc/13/86/43/1341138643.db2.gz UPSIQQMYKGBWMO-UUKMXZOPSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001029973865 1341140390 /nfs/dbraw/zinc/14/03/90/1341140390.db2.gz QUFZSZKGXOVDBT-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001029973865 1341140391 /nfs/dbraw/zinc/14/03/91/1341140391.db2.gz QUFZSZKGXOVDBT-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001029973865 1341140392 /nfs/dbraw/zinc/14/03/92/1341140392.db2.gz QUFZSZKGXOVDBT-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CC1CCCC1)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001030003356 1341154089 /nfs/dbraw/zinc/15/40/89/1341154089.db2.gz WWKIJCAGDWBWJZ-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC(C[N@@H+](C)CC3CCC3)CC2)C1 ZINC001030010464 1341156878 /nfs/dbraw/zinc/15/68/78/1341156878.db2.gz ROCHLLGMNAMARS-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CC1CCCCC1)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001030010349 1341156891 /nfs/dbraw/zinc/15/68/91/1341156891.db2.gz MMQLLWLFZKRLDL-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC1CCCCC1)CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001030010349 1341156892 /nfs/dbraw/zinc/15/68/92/1341156892.db2.gz MMQLLWLFZKRLDL-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC1CCCCC1)CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001030010349 1341156893 /nfs/dbraw/zinc/15/68/93/1341156893.db2.gz MMQLLWLFZKRLDL-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+]2CCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001030025643 1341160512 /nfs/dbraw/zinc/16/05/12/1341160512.db2.gz GMAGONBGIYIZTQ-NLWGTHIKSA-N 2 1 343.515 3.039 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+]2CCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001030025643 1341160513 /nfs/dbraw/zinc/16/05/13/1341160513.db2.gz GMAGONBGIYIZTQ-NLWGTHIKSA-N 2 1 343.515 3.039 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+]2CCC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001030025643 1341160514 /nfs/dbraw/zinc/16/05/14/1341160514.db2.gz GMAGONBGIYIZTQ-NLWGTHIKSA-N 2 1 343.515 3.039 20 0 EGADMP CC(C)c1ccc([C@H](C)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001030334793 1341178915 /nfs/dbraw/zinc/17/89/15/1341178915.db2.gz ACSNUOWHZTUCAB-RZQQEMMASA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)c1ccc([C@@H](C)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001030334792 1341179010 /nfs/dbraw/zinc/17/90/10/1341179010.db2.gz ACSNUOWHZTUCAB-JXXFODFXSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001030442010 1341187687 /nfs/dbraw/zinc/18/76/87/1341187687.db2.gz KEUFHLWERJGNNH-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CC1(C)CCC(C[NH+]2CC(NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC001030518629 1341193626 /nfs/dbraw/zinc/19/36/26/1341193626.db2.gz HLWAWIAIYCIGIA-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CCC(C[NH+]2CC(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC001030518629 1341193628 /nfs/dbraw/zinc/19/36/28/1341193628.db2.gz HLWAWIAIYCIGIA-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)(C(=O)NC1C[NH+](CCC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001030783961 1341224435 /nfs/dbraw/zinc/22/44/35/1341224435.db2.gz FRRCVCCLBYBRIF-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2C[NH+](CCC3CCCCCC3)C2)C1 ZINC001030823391 1341230741 /nfs/dbraw/zinc/23/07/41/1341230741.db2.gz AHFVAIUHCAKQEM-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001031050770 1341270024 /nfs/dbraw/zinc/27/00/24/1341270024.db2.gz XJVXPSFOXHCERK-IBGZPJMESA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001031050770 1341270026 /nfs/dbraw/zinc/27/00/26/1341270026.db2.gz XJVXPSFOXHCERK-IBGZPJMESA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001031050771 1341270154 /nfs/dbraw/zinc/27/01/54/1341270154.db2.gz XJVXPSFOXHCERK-LJQANCHMSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001031050771 1341270156 /nfs/dbraw/zinc/27/01/56/1341270156.db2.gz XJVXPSFOXHCERK-LJQANCHMSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCCC2CCCC2)C1 ZINC001031801413 1341403796 /nfs/dbraw/zinc/40/37/96/1341403796.db2.gz FYFVTYYOEBYIIV-HXUWFJFHSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1=CCCCC1 ZINC001032445462 1341511832 /nfs/dbraw/zinc/51/18/32/1341511832.db2.gz HDHSVJZMLFMESB-UFYCRDLUSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CCCCC1 ZINC001032445462 1341511833 /nfs/dbraw/zinc/51/18/33/1341511833.db2.gz HDHSVJZMLFMESB-UFYCRDLUSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CCCCC1 ZINC001032445462 1341511834 /nfs/dbraw/zinc/51/18/34/1341511834.db2.gz HDHSVJZMLFMESB-UFYCRDLUSA-N 2 1 345.531 3.035 20 0 EGADMP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCCCCC2)CCC1 ZINC001032444164 1341511942 /nfs/dbraw/zinc/51/19/42/1341511942.db2.gz NRAOQGNRVCUAFW-OALUTQOASA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033077908 1341717775 /nfs/dbraw/zinc/71/77/75/1341717775.db2.gz TXRSKYVRXCWXLQ-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033083066 1341719197 /nfs/dbraw/zinc/71/91/97/1341719197.db2.gz UGRRULSCBVLIKX-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033083066 1341719199 /nfs/dbraw/zinc/71/91/99/1341719199.db2.gz UGRRULSCBVLIKX-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033083066 1341719201 /nfs/dbraw/zinc/71/92/01/1341719201.db2.gz UGRRULSCBVLIKX-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3CCCCC3)C2)CC[N@H+]1C ZINC001033100451 1341722446 /nfs/dbraw/zinc/72/24/46/1341722446.db2.gz ZKWKOYKAVQJGMD-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001033100451 1341722453 /nfs/dbraw/zinc/72/24/53/1341722453.db2.gz ZKWKOYKAVQJGMD-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001033100451 1341722455 /nfs/dbraw/zinc/72/24/55/1341722455.db2.gz ZKWKOYKAVQJGMD-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033214367 1341754347 /nfs/dbraw/zinc/75/43/47/1341754347.db2.gz SWLQNXVIRZJPIH-GOSISDBHSA-N 2 1 342.487 3.225 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001033353308 1341793676 /nfs/dbraw/zinc/79/36/76/1341793676.db2.gz GHAOIMLHZRBKEJ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCCC3CCC3)C2)C1 ZINC001033353308 1341793679 /nfs/dbraw/zinc/79/36/79/1341793679.db2.gz GHAOIMLHZRBKEJ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001033353308 1341793681 /nfs/dbraw/zinc/79/36/81/1341793681.db2.gz GHAOIMLHZRBKEJ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033426441 1341822240 /nfs/dbraw/zinc/82/22/40/1341822240.db2.gz QQRUZRUUWDVSMS-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033426441 1341822241 /nfs/dbraw/zinc/82/22/41/1341822241.db2.gz QQRUZRUUWDVSMS-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033426441 1341822242 /nfs/dbraw/zinc/82/22/42/1341822242.db2.gz QQRUZRUUWDVSMS-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033545804 1341865211 /nfs/dbraw/zinc/86/52/11/1341865211.db2.gz ASNSWZMRQJSXQA-LJQANCHMSA-N 2 1 337.552 3.076 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001033570494 1341878453 /nfs/dbraw/zinc/87/84/53/1341878453.db2.gz AXTNFMNKUCZSKJ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033570494 1341878454 /nfs/dbraw/zinc/87/84/54/1341878454.db2.gz AXTNFMNKUCZSKJ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033570494 1341878455 /nfs/dbraw/zinc/87/84/55/1341878455.db2.gz AXTNFMNKUCZSKJ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033826254 1342027227 /nfs/dbraw/zinc/02/72/27/1342027227.db2.gz NNEAMBDNROKMRT-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033826254 1342027230 /nfs/dbraw/zinc/02/72/30/1342027230.db2.gz NNEAMBDNROKMRT-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033826254 1342027231 /nfs/dbraw/zinc/02/72/31/1342027231.db2.gz NNEAMBDNROKMRT-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033826366 1342027497 /nfs/dbraw/zinc/02/74/97/1342027497.db2.gz OXQUXPNRLGXGSC-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033826366 1342027498 /nfs/dbraw/zinc/02/74/98/1342027498.db2.gz OXQUXPNRLGXGSC-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033826366 1342027501 /nfs/dbraw/zinc/02/75/01/1342027501.db2.gz OXQUXPNRLGXGSC-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033898779 1342070861 /nfs/dbraw/zinc/07/08/61/1342070861.db2.gz SMVKCSRINGQSFW-LJQANCHMSA-N 2 1 342.487 3.307 20 0 EGADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033941883 1342103775 /nfs/dbraw/zinc/10/37/75/1342103775.db2.gz UIDWMYBVXUCDIJ-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033990254 1342133661 /nfs/dbraw/zinc/13/36/61/1342133661.db2.gz TWSNGCRJYUHQPC-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001034044440 1342184768 /nfs/dbraw/zinc/18/47/68/1342184768.db2.gz BAFAKSQRNIVCEH-HXUWFJFHSA-N 2 1 343.515 3.085 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034131579 1342260796 /nfs/dbraw/zinc/26/07/96/1342260796.db2.gz NQFMDYFZKRDMSB-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCCCC2)C1 ZINC001034131579 1342260800 /nfs/dbraw/zinc/26/08/00/1342260800.db2.gz NQFMDYFZKRDMSB-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCCCC2)C1 ZINC001034131579 1342260803 /nfs/dbraw/zinc/26/08/03/1342260803.db2.gz NQFMDYFZKRDMSB-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034203609 1342314497 /nfs/dbraw/zinc/31/44/97/1342314497.db2.gz FUUPVPOYTQXQHC-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034203609 1342314499 /nfs/dbraw/zinc/31/44/99/1342314499.db2.gz FUUPVPOYTQXQHC-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034203609 1342314503 /nfs/dbraw/zinc/31/45/03/1342314503.db2.gz FUUPVPOYTQXQHC-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034204492 1342315178 /nfs/dbraw/zinc/31/51/78/1342315178.db2.gz MZTYDGNGOSVNSV-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC001034204492 1342315181 /nfs/dbraw/zinc/31/51/81/1342315181.db2.gz MZTYDGNGOSVNSV-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC(C)(C)C)C1 ZINC001034204492 1342315185 /nfs/dbraw/zinc/31/51/85/1342315185.db2.gz MZTYDGNGOSVNSV-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CCC3CCCCC3)C2)CC[N@H+]1C ZINC001034215375 1342323514 /nfs/dbraw/zinc/32/35/14/1342323514.db2.gz YTPIELZEDPWPQR-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001034215375 1342323516 /nfs/dbraw/zinc/32/35/16/1342323516.db2.gz YTPIELZEDPWPQR-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001034215375 1342323519 /nfs/dbraw/zinc/32/35/19/1342323519.db2.gz YTPIELZEDPWPQR-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034251027 1342347656 /nfs/dbraw/zinc/34/76/56/1342347656.db2.gz UZJCDQUDMVUJTE-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034251027 1342347659 /nfs/dbraw/zinc/34/76/59/1342347659.db2.gz UZJCDQUDMVUJTE-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034251027 1342347665 /nfs/dbraw/zinc/34/76/65/1342347665.db2.gz UZJCDQUDMVUJTE-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034269456 1342359821 /nfs/dbraw/zinc/35/98/21/1342359821.db2.gz DXGRUTKTFNYTFF-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034269456 1342359824 /nfs/dbraw/zinc/35/98/24/1342359824.db2.gz DXGRUTKTFNYTFF-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034269456 1342359829 /nfs/dbraw/zinc/35/98/29/1342359829.db2.gz DXGRUTKTFNYTFF-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034269456 1342359830 /nfs/dbraw/zinc/35/98/30/1342359830.db2.gz DXGRUTKTFNYTFF-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCCC[N@@H+](CC2CCCC2)C1)[NH+]1CCCC1 ZINC001034340328 1342413615 /nfs/dbraw/zinc/41/36/15/1342413615.db2.gz NOLQARUWUFIBHW-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034359944 1342431205 /nfs/dbraw/zinc/43/12/05/1342431205.db2.gz DJJNPGFMQUTEPL-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034359944 1342431207 /nfs/dbraw/zinc/43/12/07/1342431207.db2.gz DJJNPGFMQUTEPL-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034359944 1342431210 /nfs/dbraw/zinc/43/12/10/1342431210.db2.gz DJJNPGFMQUTEPL-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](CC3=CCCCC3)C2)C1 ZINC001034393315 1342463060 /nfs/dbraw/zinc/46/30/60/1342463060.db2.gz CRYLDTPFWBYLRT-LJQANCHMSA-N 2 1 347.547 3.189 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CC3=CCCCC3)C2)C1 ZINC001034393315 1342463064 /nfs/dbraw/zinc/46/30/64/1342463064.db2.gz CRYLDTPFWBYLRT-LJQANCHMSA-N 2 1 347.547 3.189 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001034393315 1342463067 /nfs/dbraw/zinc/46/30/67/1342463067.db2.gz CRYLDTPFWBYLRT-LJQANCHMSA-N 2 1 347.547 3.189 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](CCCC3CCC3)C2)C1 ZINC001034397205 1342465412 /nfs/dbraw/zinc/46/54/12/1342465412.db2.gz JJCJFDHWHMIJHA-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CCCC3CCC3)C2)C1 ZINC001034397205 1342465415 /nfs/dbraw/zinc/46/54/15/1342465415.db2.gz JJCJFDHWHMIJHA-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CCCC3CCC3)C2)C1 ZINC001034397205 1342465418 /nfs/dbraw/zinc/46/54/18/1342465418.db2.gz JJCJFDHWHMIJHA-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001034462089 1342518031 /nfs/dbraw/zinc/51/80/31/1342518031.db2.gz MWZRTLRNOMBTPG-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](CC3CCCCCC3)C2)C1 ZINC001034491858 1342548333 /nfs/dbraw/zinc/54/83/33/1342548333.db2.gz ZEHPKEIIXBVWFC-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@H+](CC3CCCCCC3)C2)C1 ZINC001034491858 1342548336 /nfs/dbraw/zinc/54/83/36/1342548336.db2.gz ZEHPKEIIXBVWFC-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001034491858 1342548339 /nfs/dbraw/zinc/54/83/39/1342548339.db2.gz ZEHPKEIIXBVWFC-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001034491298 1342548399 /nfs/dbraw/zinc/54/83/99/1342548399.db2.gz RYKMPQXENURDNJ-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001034491298 1342548403 /nfs/dbraw/zinc/54/84/03/1342548403.db2.gz RYKMPQXENURDNJ-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001034491298 1342548408 /nfs/dbraw/zinc/54/84/08/1342548408.db2.gz RYKMPQXENURDNJ-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528300 1342584481 /nfs/dbraw/zinc/58/44/81/1342584481.db2.gz LWECASFZKNICNS-MOPGFXCFSA-N 2 1 343.515 3.123 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034537970 1342594650 /nfs/dbraw/zinc/59/46/50/1342594650.db2.gz GUDLJPYKWPGARV-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCCCC2)C1 ZINC001034537970 1342594653 /nfs/dbraw/zinc/59/46/53/1342594653.db2.gz GUDLJPYKWPGARV-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCCC2)C1 ZINC001034537970 1342594654 /nfs/dbraw/zinc/59/46/54/1342594654.db2.gz GUDLJPYKWPGARV-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034539072 1342597654 /nfs/dbraw/zinc/59/76/54/1342597654.db2.gz VEAQZMVNVLVIHV-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC001034539072 1342597655 /nfs/dbraw/zinc/59/76/55/1342597655.db2.gz VEAQZMVNVLVIHV-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC(C)(C)C)C1 ZINC001034539072 1342597658 /nfs/dbraw/zinc/59/76/58/1342597658.db2.gz VEAQZMVNVLVIHV-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC001034606843 1342644929 /nfs/dbraw/zinc/64/49/29/1342644929.db2.gz GDIAGGWHNGRWGQ-FRYIKTPZSA-N 2 1 343.515 3.167 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1)c1ccccc1 ZINC001034733471 1342728054 /nfs/dbraw/zinc/72/80/54/1342728054.db2.gz CPKRLOJMJGUYNX-PIKOESSRSA-N 2 1 343.515 3.106 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCCC3)CC2)C1 ZINC001034775518 1342752953 /nfs/dbraw/zinc/75/29/53/1342752953.db2.gz BTTXVZJTSFKNAH-UFYCRDLUSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001034980144 1342863393 /nfs/dbraw/zinc/86/33/93/1342863393.db2.gz OZZUGSXZLMOKDB-MOPGFXCFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001035069795 1342910870 /nfs/dbraw/zinc/91/08/70/1342910870.db2.gz HDLRQZNEMLDGTJ-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185663 1343000360 /nfs/dbraw/zinc/00/03/60/1343000360.db2.gz YRERIRXQHLWTDU-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035185663 1343000364 /nfs/dbraw/zinc/00/03/64/1343000364.db2.gz YRERIRXQHLWTDU-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035185663 1343000370 /nfs/dbraw/zinc/00/03/70/1343000370.db2.gz YRERIRXQHLWTDU-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)CC2 ZINC001035202167 1343015116 /nfs/dbraw/zinc/01/51/16/1343015116.db2.gz SESLAQRONKDXME-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC2(C1)CCN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)CC2 ZINC001035202167 1343015120 /nfs/dbraw/zinc/01/51/20/1343015120.db2.gz SESLAQRONKDXME-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC2(C1)CCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)CC2 ZINC001035202167 1343015124 /nfs/dbraw/zinc/01/51/24/1343015124.db2.gz SESLAQRONKDXME-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC2(CC[NH+](CCC(C)(C)C)C2)CC1 ZINC001035227393 1343049082 /nfs/dbraw/zinc/04/90/82/1343049082.db2.gz QMKLZEKGKVRPOR-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC2(CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001035227393 1343049084 /nfs/dbraw/zinc/04/90/84/1343049084.db2.gz QMKLZEKGKVRPOR-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC2(CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001035227393 1343049088 /nfs/dbraw/zinc/04/90/88/1343049088.db2.gz QMKLZEKGKVRPOR-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC3(C[NH+](C[C@H](C)CC)C3)CC2)C1 ZINC001035773320 1343184515 /nfs/dbraw/zinc/18/45/15/1343184515.db2.gz XBDQJKGPKGXLFY-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001037856945 1344142385 /nfs/dbraw/zinc/14/23/85/1344142385.db2.gz AQOMHWBEJCHQSB-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001038241927 1344339401 /nfs/dbraw/zinc/33/94/01/1344339401.db2.gz XFPJCVXQKXHILJ-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001038241927 1344339403 /nfs/dbraw/zinc/33/94/03/1344339403.db2.gz XFPJCVXQKXHILJ-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCC2(CC2)CC1 ZINC001038241927 1344339407 /nfs/dbraw/zinc/33/94/07/1344339407.db2.gz XFPJCVXQKXHILJ-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CCCC1CCCC1)C12CCC[NH+](CCC1)C2 ZINC001038407824 1344414668 /nfs/dbraw/zinc/41/46/68/1344414668.db2.gz ZTTXFMMVFOMINI-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243113 1344970028 /nfs/dbraw/zinc/97/00/28/1344970028.db2.gz SNCZIUIZUGLOTA-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001039373482 1345032424 /nfs/dbraw/zinc/03/24/24/1345032424.db2.gz XAJBGMHCNBFQEA-HSALFYBXSA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001039373482 1345032428 /nfs/dbraw/zinc/03/24/28/1345032428.db2.gz XAJBGMHCNBFQEA-HSALFYBXSA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001039373482 1345032431 /nfs/dbraw/zinc/03/24/31/1345032431.db2.gz XAJBGMHCNBFQEA-HSALFYBXSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001039397501 1345045298 /nfs/dbraw/zinc/04/52/98/1345045298.db2.gz LKRHQEZEDUGLMH-MSOLQXFVSA-N 2 1 335.536 3.113 20 0 EGADMP CC(C)[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001039397501 1345045300 /nfs/dbraw/zinc/04/53/00/1345045300.db2.gz LKRHQEZEDUGLMH-MSOLQXFVSA-N 2 1 335.536 3.113 20 0 EGADMP CC(C)[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001039397501 1345045303 /nfs/dbraw/zinc/04/53/03/1345045303.db2.gz LKRHQEZEDUGLMH-MSOLQXFVSA-N 2 1 335.536 3.113 20 0 EGADMP CC(C)[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040240796 1345390581 /nfs/dbraw/zinc/39/05/81/1345390581.db2.gz JNKSMLWPHDJDIS-TZIWHRDSSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001040240796 1345390584 /nfs/dbraw/zinc/39/05/84/1345390584.db2.gz JNKSMLWPHDJDIS-TZIWHRDSSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001040240796 1345390589 /nfs/dbraw/zinc/39/05/89/1345390589.db2.gz JNKSMLWPHDJDIS-TZIWHRDSSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240891 1345391408 /nfs/dbraw/zinc/39/14/08/1345391408.db2.gz KRJONPQDRIIJNX-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001040240891 1345391412 /nfs/dbraw/zinc/39/14/12/1345391412.db2.gz KRJONPQDRIIJNX-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001040240891 1345391418 /nfs/dbraw/zinc/39/14/18/1345391418.db2.gz KRJONPQDRIIJNX-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CC(C)C)C2 ZINC001040277023 1345407891 /nfs/dbraw/zinc/40/78/91/1345407891.db2.gz TYPYMWCICGUZAM-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC(C)C)C2 ZINC001040277023 1345407893 /nfs/dbraw/zinc/40/78/93/1345407893.db2.gz TYPYMWCICGUZAM-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC(C)C)C2 ZINC001040277023 1345407899 /nfs/dbraw/zinc/40/78/99/1345407899.db2.gz TYPYMWCICGUZAM-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@]2(C1)CCC[NH+](CCC(C)(C)C)C2 ZINC001040396981 1345475964 /nfs/dbraw/zinc/47/59/64/1345475964.db2.gz XLWOKPKXYQNRLT-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC(C)(C)C)C2 ZINC001040396981 1345475970 /nfs/dbraw/zinc/47/59/70/1345475970.db2.gz XLWOKPKXYQNRLT-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC(C)(C)C)C2 ZINC001040396981 1345475974 /nfs/dbraw/zinc/47/59/74/1345475974.db2.gz XLWOKPKXYQNRLT-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433184 1345495997 /nfs/dbraw/zinc/49/59/97/1345495997.db2.gz UIDIBSZPGVPQJC-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040492865 1345519225 /nfs/dbraw/zinc/51/92/25/1345519225.db2.gz GEOBDFJUJMMXRI-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040492865 1345519227 /nfs/dbraw/zinc/51/92/27/1345519227.db2.gz GEOBDFJUJMMXRI-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040492865 1345519228 /nfs/dbraw/zinc/51/92/28/1345519228.db2.gz GEOBDFJUJMMXRI-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001040543284 1345538699 /nfs/dbraw/zinc/53/86/99/1345538699.db2.gz NMVNVPNRRNCZQG-NRFANRHFSA-N 2 1 343.515 3.086 20 0 EGADMP CCC[N@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001040544606 1345539094 /nfs/dbraw/zinc/53/90/94/1345539094.db2.gz XNIXECCKWHGUER-NRFANRHFSA-N 2 1 343.515 3.086 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041845099 1345871496 /nfs/dbraw/zinc/87/14/96/1345871496.db2.gz SRORVDSZHBZFBY-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845933 1345871734 /nfs/dbraw/zinc/87/17/34/1345871734.db2.gz SJVNWCNKUOKIJT-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001042715421 1346109409 /nfs/dbraw/zinc/10/94/09/1346109409.db2.gz YDMWIACGECXCJN-PXNSSMCTSA-N 2 1 343.515 3.071 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001042715421 1346109410 /nfs/dbraw/zinc/10/94/10/1346109410.db2.gz YDMWIACGECXCJN-PXNSSMCTSA-N 2 1 343.515 3.071 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1C[NH+](CCCC2CCC2)C1 ZINC001042926968 1346125243 /nfs/dbraw/zinc/12/52/43/1346125243.db2.gz IHIONUHYPIUDGC-HXUWFJFHSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1C[NH+](CCCC2CCC2)C1 ZINC001042926968 1346125244 /nfs/dbraw/zinc/12/52/44/1346125244.db2.gz IHIONUHYPIUDGC-HXUWFJFHSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CC2CCCCCC2)C1 ZINC001043198491 1346152549 /nfs/dbraw/zinc/15/25/49/1346152549.db2.gz RCJRALWFMUITMD-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001043351348 1346168918 /nfs/dbraw/zinc/16/89/18/1346168918.db2.gz FNVXFAZYFMDDGL-FQEVSTJZSA-N 2 1 348.450 3.242 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001043512859 1346185514 /nfs/dbraw/zinc/18/55/14/1346185514.db2.gz GTGXABAFBGWRGZ-KRWDZBQOSA-N 2 1 343.515 3.073 20 0 EGADMP CN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1C[NH+](CC2CCCCCC2)C1 ZINC001044034162 1346237304 /nfs/dbraw/zinc/23/73/04/1346237304.db2.gz GIKBEXFAIKFQHS-QUCCMNQESA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1C[NH+](CCCC2CCCC2)C1 ZINC001044034334 1346237375 /nfs/dbraw/zinc/23/73/75/1346237375.db2.gz LLJJAJDOPOQMCI-ICSRJNTNSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1C[NH+](CCCC2CCCC2)C1 ZINC001044034334 1346237377 /nfs/dbraw/zinc/23/73/77/1346237377.db2.gz LLJJAJDOPOQMCI-ICSRJNTNSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044630474 1346387910 /nfs/dbraw/zinc/38/79/10/1346387910.db2.gz WSMARCCCOUNZNF-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C[C@@H]1C ZINC001044679795 1346401584 /nfs/dbraw/zinc/40/15/84/1346401584.db2.gz CEVOPHLXLNIGOF-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001044743015 1346418400 /nfs/dbraw/zinc/41/84/00/1346418400.db2.gz JTGRWQFHOCTFDE-WMZOPIPTSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C[C@@H]1C ZINC001044863199 1346448404 /nfs/dbraw/zinc/44/84/04/1346448404.db2.gz FZRUJMNMXMCEDY-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CCCCC2)C1 ZINC001045164201 1346512972 /nfs/dbraw/zinc/51/29/72/1346512972.db2.gz IIPCWMIKVBRQKL-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001045229835 1346536312 /nfs/dbraw/zinc/53/63/12/1346536312.db2.gz VYISFKGVTOSPAL-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001045270845 1346544889 /nfs/dbraw/zinc/54/48/89/1346544889.db2.gz CVBAOOPJIFEVLI-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045321973 1346559770 /nfs/dbraw/zinc/55/97/70/1346559770.db2.gz DMCHWQAIECNUEZ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CCC(C)(C)C)CC1 ZINC001045437809 1346593479 /nfs/dbraw/zinc/59/34/79/1346593479.db2.gz FCHGPKOGIBBVGK-QGZVFWFLSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001045438596 1346594209 /nfs/dbraw/zinc/59/42/09/1346594209.db2.gz SQTXVVNCBCRXCG-GOSISDBHSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001045444977 1346595543 /nfs/dbraw/zinc/59/55/43/1346595543.db2.gz NEWFXEFFHFATNF-ZHALLVOQSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001045475804 1346602962 /nfs/dbraw/zinc/60/29/62/1346602962.db2.gz RAGCHAQWEOIFSR-ZWKOTPCHSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1cc(C[NH+]2CCC(C)(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cs1 ZINC001045528898 1346618145 /nfs/dbraw/zinc/61/81/45/1346618145.db2.gz GRRHDAYNJDYTEN-KRWDZBQOSA-N 2 1 349.544 3.012 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045938281 1346774528 /nfs/dbraw/zinc/77/45/28/1346774528.db2.gz WKFRVVOFYOOJPR-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045938281 1346774529 /nfs/dbraw/zinc/77/45/29/1346774529.db2.gz WKFRVVOFYOOJPR-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001045938281 1346774532 /nfs/dbraw/zinc/77/45/32/1346774532.db2.gz WKFRVVOFYOOJPR-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045940578 1346776171 /nfs/dbraw/zinc/77/61/71/1346776171.db2.gz AYMQYLKWGPNHMM-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001045940578 1346776174 /nfs/dbraw/zinc/77/61/74/1346776174.db2.gz AYMQYLKWGPNHMM-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001045940578 1346776176 /nfs/dbraw/zinc/77/61/76/1346776176.db2.gz AYMQYLKWGPNHMM-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945671 1346781643 /nfs/dbraw/zinc/78/16/43/1346781643.db2.gz WSELGMAUQCSOCG-PZJWPPBQSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001045948634 1346784274 /nfs/dbraw/zinc/78/42/74/1346784274.db2.gz NCHFHGTZVKBZCX-CTNGQTDRSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045948634 1346784277 /nfs/dbraw/zinc/78/42/77/1346784277.db2.gz NCHFHGTZVKBZCX-CTNGQTDRSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045948634 1346784278 /nfs/dbraw/zinc/78/42/78/1346784278.db2.gz NCHFHGTZVKBZCX-CTNGQTDRSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045966826 1346802040 /nfs/dbraw/zinc/80/20/40/1346802040.db2.gz HFYMHUXYZJOFBF-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001045966826 1346802044 /nfs/dbraw/zinc/80/20/44/1346802044.db2.gz HFYMHUXYZJOFBF-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001045966826 1346802049 /nfs/dbraw/zinc/80/20/49/1346802049.db2.gz HFYMHUXYZJOFBF-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001045977881 1346814507 /nfs/dbraw/zinc/81/45/07/1346814507.db2.gz KGDYFELYQUHXQG-NRFANRHFSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046483423 1346990770 /nfs/dbraw/zinc/99/07/70/1346990770.db2.gz AANGHQYNHYOKLW-IERDGZPVSA-N 2 1 348.450 3.290 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@]2(C)CC[NH+](CC(CC)CC)C2)C1 ZINC001046561111 1347017726 /nfs/dbraw/zinc/01/77/26/1347017726.db2.gz DFYIHALIVOYHLN-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@]2(C)CC[N@H+](CC(CC)CC)C2)C1 ZINC001046561111 1347017729 /nfs/dbraw/zinc/01/77/29/1347017729.db2.gz DFYIHALIVOYHLN-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CC(CC)CC)C2)C1 ZINC001046561111 1347017731 /nfs/dbraw/zinc/01/77/31/1347017731.db2.gz DFYIHALIVOYHLN-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001046742003 1347079206 /nfs/dbraw/zinc/07/92/06/1347079206.db2.gz MPWDAYNQNUQGBN-OAQYLSRUSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046863717 1347137040 /nfs/dbraw/zinc/13/70/40/1347137040.db2.gz HFOBXZIVIDDOMI-OXQOHEQNSA-N 2 1 349.519 3.362 20 0 EGADMP CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001047255427 1347278972 /nfs/dbraw/zinc/27/89/72/1347278972.db2.gz ZPFIGLNEYBFYBQ-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047263312 1347284430 /nfs/dbraw/zinc/28/44/30/1347284430.db2.gz GASNNXSCCPAVSM-QUCCMNQESA-N 2 1 349.563 3.079 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001048509787 1347572812 /nfs/dbraw/zinc/57/28/12/1347572812.db2.gz FRHTZQBTLSVIHA-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001048509787 1347572813 /nfs/dbraw/zinc/57/28/13/1347572813.db2.gz FRHTZQBTLSVIHA-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001048509787 1347572814 /nfs/dbraw/zinc/57/28/14/1347572814.db2.gz FRHTZQBTLSVIHA-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001048537482 1347583331 /nfs/dbraw/zinc/58/33/31/1347583331.db2.gz CEYDPQVLGKLRGP-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001048537482 1347583333 /nfs/dbraw/zinc/58/33/33/1347583333.db2.gz CEYDPQVLGKLRGP-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001048537482 1347583334 /nfs/dbraw/zinc/58/33/34/1347583334.db2.gz CEYDPQVLGKLRGP-IYWMVGAKSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001048573236 1347599416 /nfs/dbraw/zinc/59/94/16/1347599416.db2.gz YCNDTOAOCQFDPZ-FCGDIQPGSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001048573236 1347599419 /nfs/dbraw/zinc/59/94/19/1347599419.db2.gz YCNDTOAOCQFDPZ-FCGDIQPGSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001048573236 1347599421 /nfs/dbraw/zinc/59/94/21/1347599421.db2.gz YCNDTOAOCQFDPZ-FCGDIQPGSA-N 2 1 335.536 3.019 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC)CC1 ZINC001048622941 1347622485 /nfs/dbraw/zinc/62/24/85/1347622485.db2.gz MGBAGZRDEQSREY-FHWLQOOXSA-N 2 1 337.552 3.173 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1CCCC1)C1CCC1 ZINC001049522428 1347890761 /nfs/dbraw/zinc/89/07/61/1347890761.db2.gz PZCWBSHSHZVJLF-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CCCC1)C1CCC1 ZINC001049522428 1347890762 /nfs/dbraw/zinc/89/07/62/1347890762.db2.gz PZCWBSHSHZVJLF-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CCCC1)C1CCC1 ZINC001049522428 1347890767 /nfs/dbraw/zinc/89/07/67/1347890767.db2.gz PZCWBSHSHZVJLF-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001049566190 1347913503 /nfs/dbraw/zinc/91/35/03/1347913503.db2.gz HGNRREUZFUJPGV-AQNXPRMDSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049566190 1347913506 /nfs/dbraw/zinc/91/35/06/1347913506.db2.gz HGNRREUZFUJPGV-AQNXPRMDSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049566190 1347913507 /nfs/dbraw/zinc/91/35/07/1347913507.db2.gz HGNRREUZFUJPGV-AQNXPRMDSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCCC1)[NH+](C)C ZINC001049707148 1347984341 /nfs/dbraw/zinc/98/43/41/1347984341.db2.gz CJWWGGVJGBMRRH-VAMGGRTRSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049821176 1348037793 /nfs/dbraw/zinc/03/77/93/1348037793.db2.gz UFBNJMGCUFUALJ-UXHICEINSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049913993 1348109009 /nfs/dbraw/zinc/10/90/09/1348109009.db2.gz LCCJICDJAXBJBM-VAMGGRTRSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001050262664 1348221977 /nfs/dbraw/zinc/22/19/77/1348221977.db2.gz ZXIZXCQSNLLKQM-RZQQEMMASA-N 2 1 343.515 3.094 20 0 EGADMP C[C@@H]([NH2+]CC1CC1)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001050270766 1348224309 /nfs/dbraw/zinc/22/43/09/1348224309.db2.gz YTMFIBDGZCESLH-YRNRMSPPSA-N 2 1 343.515 3.094 20 0 EGADMP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001050333558 1348229985 /nfs/dbraw/zinc/22/99/85/1348229985.db2.gz YKIRBSIIBGZNMB-ZHALLVOQSA-N 2 1 335.536 3.066 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001050386934 1348246899 /nfs/dbraw/zinc/24/68/99/1348246899.db2.gz XXLXPQNQVDZGLH-VAMGGRTRSA-N 2 1 349.563 3.316 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CC2)CC1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001052381188 1348537042 /nfs/dbraw/zinc/53/70/42/1348537042.db2.gz MBQFLSRRTQACRR-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CC2CC2)CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001052381188 1348537045 /nfs/dbraw/zinc/53/70/45/1348537045.db2.gz MBQFLSRRTQACRR-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001052381188 1348537046 /nfs/dbraw/zinc/53/70/46/1348537046.db2.gz MBQFLSRRTQACRR-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC(C)C)CC1 ZINC001052858308 1348705505 /nfs/dbraw/zinc/70/55/05/1348705505.db2.gz BSTQTLCYISVKQG-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC(C)C)CC1 ZINC001052858308 1348705508 /nfs/dbraw/zinc/70/55/08/1348705508.db2.gz BSTQTLCYISVKQG-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(C)C)CC1 ZINC001052858308 1348705509 /nfs/dbraw/zinc/70/55/09/1348705509.db2.gz BSTQTLCYISVKQG-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001052873360 1348713134 /nfs/dbraw/zinc/71/31/34/1348713134.db2.gz OTDGDIICWWWUNL-INIZCTEOSA-N 2 1 346.519 3.168 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001052873360 1348713137 /nfs/dbraw/zinc/71/31/37/1348713137.db2.gz OTDGDIICWWWUNL-INIZCTEOSA-N 2 1 346.519 3.168 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052955274 1348769801 /nfs/dbraw/zinc/76/98/01/1348769801.db2.gz BTNCCLACBZZSPK-PKOBYXMFSA-N 2 1 345.531 3.379 20 0 EGADMP CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCCC2CCCC2)CC1 ZINC001052985353 1348788643 /nfs/dbraw/zinc/78/86/43/1348788643.db2.gz IUZSHNOCWXHSOP-OYRHEFFESA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036899 1348837459 /nfs/dbraw/zinc/83/74/59/1348837459.db2.gz RVDNOTLWYKNBJF-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001053051391 1348854863 /nfs/dbraw/zinc/85/48/63/1348854863.db2.gz OIGVVUXRYOQCOQ-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053097130 1348928249 /nfs/dbraw/zinc/92/82/49/1348928249.db2.gz CMVSZCDBEZSJMN-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001053097130 1348928253 /nfs/dbraw/zinc/92/82/53/1348928253.db2.gz CMVSZCDBEZSJMN-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001053097130 1348928256 /nfs/dbraw/zinc/92/82/56/1348928256.db2.gz CMVSZCDBEZSJMN-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001054142493 1349153146 /nfs/dbraw/zinc/15/31/46/1349153146.db2.gz CZDZEJALNWVKAX-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054142493 1349153148 /nfs/dbraw/zinc/15/31/48/1349153148.db2.gz CZDZEJALNWVKAX-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054142493 1349153149 /nfs/dbraw/zinc/15/31/49/1349153149.db2.gz CZDZEJALNWVKAX-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174347 1349175066 /nfs/dbraw/zinc/17/50/66/1349175066.db2.gz NFHYKJDCSJYCAV-OAQYLSRUSA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001054183709 1349186590 /nfs/dbraw/zinc/18/65/90/1349186590.db2.gz OQNGWMDMTXBTLE-FPOVZHCZSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001054183709 1349186591 /nfs/dbraw/zinc/18/65/91/1349186591.db2.gz OQNGWMDMTXBTLE-FPOVZHCZSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001054183709 1349186596 /nfs/dbraw/zinc/18/65/96/1349186596.db2.gz OQNGWMDMTXBTLE-FPOVZHCZSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054186497 1349189020 /nfs/dbraw/zinc/18/90/20/1349189020.db2.gz UFFGQQITFSLZLC-HXUWFJFHSA-N 2 1 347.503 3.069 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@]3(CC[N@@H+](CC)C3)C2)o1 ZINC001054246752 1349242083 /nfs/dbraw/zinc/24/20/83/1349242083.db2.gz INGQHGPCIWZFGS-HXUWFJFHSA-N 2 1 347.503 3.069 20 0 EGADMP CC(C)[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)cc2C1 ZINC001054285186 1349286763 /nfs/dbraw/zinc/28/67/63/1349286763.db2.gz WLMLNEPFMUKKAK-FQEVSTJZSA-N 2 1 343.515 3.290 20 0 EGADMP CC(C)[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)cc2C1 ZINC001054285186 1349286766 /nfs/dbraw/zinc/28/67/66/1349286766.db2.gz WLMLNEPFMUKKAK-FQEVSTJZSA-N 2 1 343.515 3.290 20 0 EGADMP CC(C)[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3C(C)C)cc2C1 ZINC001054285186 1349286769 /nfs/dbraw/zinc/28/67/69/1349286769.db2.gz WLMLNEPFMUKKAK-FQEVSTJZSA-N 2 1 343.515 3.290 20 0 EGADMP Cc1cc(F)cc(Br)c1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001238570362 1376999571 /nfs/dbraw/zinc/99/95/71/1376999571.db2.gz OPXFWBCBUNGYGQ-UHFFFAOYSA-N 2 1 341.268 3.424 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@H+]1CC1CCCC1 ZINC001071508722 1354733497 /nfs/dbraw/zinc/73/34/97/1354733497.db2.gz SHWJSDDBPVHQQM-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071735204 1354887062 /nfs/dbraw/zinc/88/70/62/1354887062.db2.gz HUQTUQMGQWMTDQ-FUHWJXTLSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CC1CCCCC1 ZINC001071871667 1354996070 /nfs/dbraw/zinc/99/60/70/1354996070.db2.gz JFWRNCLZCZNQSC-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CCC(C)(C)C ZINC001071870756 1354996284 /nfs/dbraw/zinc/99/62/84/1354996284.db2.gz DLWKAPNOKORJMF-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CC1CC(C)(C)C1 ZINC001071871991 1354997399 /nfs/dbraw/zinc/99/73/99/1354997399.db2.gz KPSDSEPKPQBXMR-APWZRJJASA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001071972908 1355054180 /nfs/dbraw/zinc/05/41/80/1355054180.db2.gz CGIGTQXDPWXGNA-XLIONFOSSA-N 2 1 347.547 3.044 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC(C)(C)C)C1 ZINC001183228858 1387282436 /nfs/dbraw/zinc/28/24/36/1387282436.db2.gz XKDULQVXENTQEO-YLJYHZDGSA-N 2 1 339.568 3.229 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CCC1 ZINC001074024061 1356039990 /nfs/dbraw/zinc/03/99/90/1356039990.db2.gz VZCLTKNIRJIDST-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC001074024061 1356039991 /nfs/dbraw/zinc/03/99/91/1356039991.db2.gz VZCLTKNIRJIDST-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC001074024061 1356039995 /nfs/dbraw/zinc/03/99/95/1356039995.db2.gz VZCLTKNIRJIDST-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC2(CCC2)C1)[NH+](C)C ZINC001074028913 1356042349 /nfs/dbraw/zinc/04/23/49/1356042349.db2.gz RRZCJKKMZLRVPR-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1cc(C[NH2+][C@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@H]2C)cs1 ZINC001074693500 1356224274 /nfs/dbraw/zinc/22/42/74/1356224274.db2.gz DANMQBZQWYUQFA-JQHSSLGASA-N 2 1 349.544 3.010 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@@H]1C ZINC001074686206 1356224347 /nfs/dbraw/zinc/22/43/47/1356224347.db2.gz YXUIEVNOGKAARO-IHPCNDPISA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)[C@@H]1C ZINC001074686122 1356224520 /nfs/dbraw/zinc/22/45/20/1356224520.db2.gz QGGQHEJTIAEKRN-SXLOBPIMSA-N 2 1 347.547 3.329 20 0 EGADMP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461304 1356394989 /nfs/dbraw/zinc/39/49/89/1356394989.db2.gz CCOIVNAMNFTYQB-ICSRJNTNSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461304 1356394991 /nfs/dbraw/zinc/39/49/91/1356394991.db2.gz CCOIVNAMNFTYQB-ICSRJNTNSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461304 1356394995 /nfs/dbraw/zinc/39/49/95/1356394995.db2.gz CCOIVNAMNFTYQB-ICSRJNTNSA-N 2 1 349.563 3.079 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001183254735 1387285764 /nfs/dbraw/zinc/28/57/64/1387285764.db2.gz DSLUVULHZDYGLX-PWBPZBFBSA-N 2 1 335.536 3.186 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCCC1)[NH+](C)C ZINC001099126907 1363639518 /nfs/dbraw/zinc/63/95/18/1363639518.db2.gz ZHLMIKOBHOWSLG-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099344668 1363762480 /nfs/dbraw/zinc/76/24/80/1363762480.db2.gz NTNJKLKZLKYKGO-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC=C(C)C)C[C@H]2C)o1 ZINC001081028706 1357786933 /nfs/dbraw/zinc/78/69/33/1357786933.db2.gz WPKVATDZCOAEMF-SJLPKXTDSA-N 2 1 347.503 3.138 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCCCC2)CC[N@H+]1C ZINC001085202216 1358432341 /nfs/dbraw/zinc/43/23/41/1358432341.db2.gz SNKBPRZGANPJIW-VBSBHUPXSA-N 2 1 349.563 3.314 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001085274917 1358448706 /nfs/dbraw/zinc/44/87/06/1358448706.db2.gz FVMOCAYKRUFFFU-RTBURBONSA-N 2 1 346.519 3.179 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1 ZINC001085389806 1358487069 /nfs/dbraw/zinc/48/70/69/1358487069.db2.gz WDWLIRMNNBBYGI-GUDVDZBRSA-N 2 1 335.536 3.068 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001085422165 1358495475 /nfs/dbraw/zinc/49/54/75/1358495475.db2.gz JXBWTCWLCWGAKB-IPMKNSEASA-N 2 1 349.563 3.172 20 0 EGADMP CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)CC)C2)cc1 ZINC001183759543 1387344537 /nfs/dbraw/zinc/34/45/37/1387344537.db2.gz MBPKFODMLFPMBP-LJQANCHMSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001183765207 1387345602 /nfs/dbraw/zinc/34/56/02/1387345602.db2.gz PXHIJUZPJZDINI-GOSISDBHSA-N 2 1 345.531 3.231 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001085594071 1358621873 /nfs/dbraw/zinc/62/18/73/1358621873.db2.gz YDJCUSBTDIUIMZ-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001085594071 1358621874 /nfs/dbraw/zinc/62/18/74/1358621874.db2.gz YDJCUSBTDIUIMZ-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCCC1 ZINC001085594071 1358621877 /nfs/dbraw/zinc/62/18/77/1358621877.db2.gz YDJCUSBTDIUIMZ-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2CCC(C)(C)CC2)CC[N@H+]1C ZINC001085605178 1358627394 /nfs/dbraw/zinc/62/73/94/1358627394.db2.gz BZPBQFXNYGIZBM-BHIYHBOVSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC2CCC(C)(C)CC2)CC[NH+]1C ZINC001085605178 1358627395 /nfs/dbraw/zinc/62/73/95/1358627395.db2.gz BZPBQFXNYGIZBM-BHIYHBOVSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC2CCC(C)(C)CC2)CC[NH+]1C ZINC001085605178 1358627398 /nfs/dbraw/zinc/62/73/98/1358627398.db2.gz BZPBQFXNYGIZBM-BHIYHBOVSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085639556 1358653316 /nfs/dbraw/zinc/65/33/16/1358653316.db2.gz RDHRTPSZRQEFQV-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639556 1358653318 /nfs/dbraw/zinc/65/33/18/1358653318.db2.gz RDHRTPSZRQEFQV-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085639556 1358653319 /nfs/dbraw/zinc/65/33/19/1358653319.db2.gz RDHRTPSZRQEFQV-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CC1CCC(C)(C)CC1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085675066 1358678411 /nfs/dbraw/zinc/67/84/11/1358678411.db2.gz KFADEHCYEOPNJJ-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C[C@H]1CC[NH+]1CC1CCC(C)(C)CC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085675066 1358678416 /nfs/dbraw/zinc/67/84/16/1358678416.db2.gz KFADEHCYEOPNJJ-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C[C@H]1CC[NH+]1CC1CCC(C)(C)CC1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001085675066 1358678417 /nfs/dbraw/zinc/67/84/17/1358678417.db2.gz KFADEHCYEOPNJJ-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085698975 1358692715 /nfs/dbraw/zinc/69/27/15/1358692715.db2.gz BNZDPNRFRVYOPE-APWZRJJASA-N 2 1 348.450 3.242 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCC2CCCC2)C1 ZINC001085778611 1358753038 /nfs/dbraw/zinc/75/30/38/1358753038.db2.gz CLYJOHZAXMDOLQ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCC2CCCC2)C1 ZINC001085778611 1358753041 /nfs/dbraw/zinc/75/30/41/1358753041.db2.gz CLYJOHZAXMDOLQ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCC2CCCC2)C1 ZINC001085778611 1358753045 /nfs/dbraw/zinc/75/30/45/1358753045.db2.gz CLYJOHZAXMDOLQ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCC(C)(C)C)C1 ZINC001085778787 1358753925 /nfs/dbraw/zinc/75/39/25/1358753925.db2.gz HJDCFWFYMXHVQB-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCC(C)(C)C)C1 ZINC001085778787 1358753929 /nfs/dbraw/zinc/75/39/29/1358753929.db2.gz HJDCFWFYMXHVQB-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCC(C)(C)C)C1 ZINC001085778787 1358753935 /nfs/dbraw/zinc/75/39/35/1358753935.db2.gz HJDCFWFYMXHVQB-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CC1CCC1)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085782128 1358756377 /nfs/dbraw/zinc/75/63/77/1358756377.db2.gz NQDBPSRVDBZVIH-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CC1CCC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782128 1358756381 /nfs/dbraw/zinc/75/63/81/1358756381.db2.gz NQDBPSRVDBZVIH-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CC1CCC1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782128 1358756384 /nfs/dbraw/zinc/75/63/84/1358756384.db2.gz NQDBPSRVDBZVIH-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCC1 ZINC001085855779 1358822171 /nfs/dbraw/zinc/82/21/71/1358822171.db2.gz JCIJMIOLANKSOW-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC1CCC1 ZINC001085855779 1358822172 /nfs/dbraw/zinc/82/21/72/1358822172.db2.gz JCIJMIOLANKSOW-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCC1 ZINC001085855779 1358822173 /nfs/dbraw/zinc/82/21/73/1358822173.db2.gz JCIJMIOLANKSOW-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC(C)(C)C ZINC001085856358 1358824099 /nfs/dbraw/zinc/82/40/99/1358824099.db2.gz XGBSYAVBZRWZAS-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC(C)(C)C ZINC001085856358 1358824104 /nfs/dbraw/zinc/82/41/04/1358824104.db2.gz XGBSYAVBZRWZAS-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001085856358 1358824109 /nfs/dbraw/zinc/82/41/09/1358824109.db2.gz XGBSYAVBZRWZAS-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCC1 ZINC001085918648 1358878733 /nfs/dbraw/zinc/87/87/33/1358878733.db2.gz JKJAHVSKUBXHCD-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCC1 ZINC001085918648 1358878736 /nfs/dbraw/zinc/87/87/36/1358878736.db2.gz JKJAHVSKUBXHCD-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCC1 ZINC001085918648 1358878737 /nfs/dbraw/zinc/87/87/37/1358878737.db2.gz JKJAHVSKUBXHCD-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942549 1359263982 /nfs/dbraw/zinc/26/39/82/1359263982.db2.gz VDQKHOBNIIEJNR-OALUTQOASA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H]1CC2(CN1C(=O)[C@H]1CC[N@@H+](C)C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001086956613 1359277673 /nfs/dbraw/zinc/27/76/73/1359277673.db2.gz RHFAFIMJFJGDLH-ROUUACIJSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCCC1 ZINC001087165705 1359312537 /nfs/dbraw/zinc/31/25/37/1359312537.db2.gz ILESZNHTJQEPTH-HOJAQTOUSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CCCCC2)C1 ZINC001087213056 1359322992 /nfs/dbraw/zinc/32/29/92/1359322992.db2.gz CMLYCFAGXYDUQM-GGPKGHCWSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)[C@@H]1CC ZINC001087593752 1359548015 /nfs/dbraw/zinc/54/80/15/1359548015.db2.gz UWMJPFFNPWBMJG-KSZLIROESA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)[C@@H]1CC ZINC001087593752 1359548016 /nfs/dbraw/zinc/54/80/16/1359548016.db2.gz UWMJPFFNPWBMJG-KSZLIROESA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H]1CC ZINC001087593752 1359548018 /nfs/dbraw/zinc/54/80/18/1359548018.db2.gz UWMJPFFNPWBMJG-KSZLIROESA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC[N@H+]1CCC(C)C ZINC001087602492 1359551009 /nfs/dbraw/zinc/55/10/09/1359551009.db2.gz RYEQDWMKKYXTHE-CEXWTWQISA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CCC(C)C ZINC001087602492 1359551010 /nfs/dbraw/zinc/55/10/10/1359551010.db2.gz RYEQDWMKKYXTHE-CEXWTWQISA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC[NH+]1CCC(C)C ZINC001087602492 1359551014 /nfs/dbraw/zinc/55/10/14/1359551014.db2.gz RYEQDWMKKYXTHE-CEXWTWQISA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1CCC1CCCC1 ZINC001087726174 1359614414 /nfs/dbraw/zinc/61/44/14/1359614414.db2.gz UMLHCEZGRITHPZ-YTQUADARSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1CCC1CCCC1 ZINC001087726174 1359614423 /nfs/dbraw/zinc/61/44/23/1359614423.db2.gz UMLHCEZGRITHPZ-YTQUADARSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1CCC1CCCC1 ZINC001087726174 1359614427 /nfs/dbraw/zinc/61/44/27/1359614427.db2.gz UMLHCEZGRITHPZ-YTQUADARSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(C)C)[C@@H]1CC ZINC001087792108 1359648799 /nfs/dbraw/zinc/64/87/99/1359648799.db2.gz NBLGRKYMHUCPNJ-IPMKNSEASA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(C)C)[C@@H]1CC ZINC001087792108 1359648803 /nfs/dbraw/zinc/64/88/03/1359648803.db2.gz NBLGRKYMHUCPNJ-IPMKNSEASA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(C)C)[C@@H]1CC ZINC001087792108 1359648806 /nfs/dbraw/zinc/64/88/06/1359648806.db2.gz NBLGRKYMHUCPNJ-IPMKNSEASA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1CCC(C)C ZINC001087839633 1359673587 /nfs/dbraw/zinc/67/35/87/1359673587.db2.gz MBADZFSPLZQSOG-VQTJNVASSA-N 2 1 345.531 3.377 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCCCC[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001088413601 1359884920 /nfs/dbraw/zinc/88/49/20/1359884920.db2.gz JXWXTUWVPHQXEU-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001088430987 1359898520 /nfs/dbraw/zinc/89/85/20/1359898520.db2.gz DDTWJFWEJGSXMD-PMACEKPBSA-N 2 1 345.531 3.306 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCC[N@H+](CCC1CC1)C1CCCCCC1 ZINC001323722209 1387431389 /nfs/dbraw/zinc/43/13/89/1387431389.db2.gz MZXFXLUFKRKVJU-UHFFFAOYSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](CCC1CC1)C1CCCCCC1 ZINC001323722209 1387431394 /nfs/dbraw/zinc/43/13/94/1387431394.db2.gz MZXFXLUFKRKVJU-UHFFFAOYSA-N 2 1 346.519 3.133 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897646 1360096980 /nfs/dbraw/zinc/09/69/80/1360096980.db2.gz RKTKNCOQGWAJPY-LMMKCTJWSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1C ZINC001088898529 1360097476 /nfs/dbraw/zinc/09/74/76/1360097476.db2.gz JDXXYRGLTBNBJW-YZGWKJHDSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC001088898529 1360097479 /nfs/dbraw/zinc/09/74/79/1360097479.db2.gz JDXXYRGLTBNBJW-YZGWKJHDSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC001088898529 1360097481 /nfs/dbraw/zinc/09/74/81/1360097481.db2.gz JDXXYRGLTBNBJW-YZGWKJHDSA-N 2 1 343.515 3.029 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001089060986 1360152571 /nfs/dbraw/zinc/15/25/71/1360152571.db2.gz RGFDGWWRRLEGIB-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)[C@@H]1C ZINC001089060986 1360152575 /nfs/dbraw/zinc/15/25/75/1360152575.db2.gz RGFDGWWRRLEGIB-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)[C@@H]1C ZINC001089060986 1360152578 /nfs/dbraw/zinc/15/25/78/1360152578.db2.gz RGFDGWWRRLEGIB-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001089070658 1360158674 /nfs/dbraw/zinc/15/86/74/1360158674.db2.gz QLWLQNCGUTXWSW-JZXOWHBKSA-N 2 1 349.519 3.360 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@H]1C[N@@H+](C)C(C)C ZINC001089236881 1360275420 /nfs/dbraw/zinc/27/54/20/1360275420.db2.gz ZZZYHUQPCGDRLN-KRWDZBQOSA-N 2 1 334.508 3.118 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@H]1C[N@H+](C)C(C)C ZINC001089236881 1360275422 /nfs/dbraw/zinc/27/54/22/1360275422.db2.gz ZZZYHUQPCGDRLN-KRWDZBQOSA-N 2 1 334.508 3.118 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089457874 1360445055 /nfs/dbraw/zinc/44/50/55/1360445055.db2.gz HUDLAFMDTOQFRF-KRWDZBQOSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089473306 1360456491 /nfs/dbraw/zinc/45/64/91/1360456491.db2.gz VIPDHLRMAPZZBM-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089473306 1360456494 /nfs/dbraw/zinc/45/64/94/1360456494.db2.gz VIPDHLRMAPZZBM-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089473306 1360456496 /nfs/dbraw/zinc/45/64/96/1360456496.db2.gz VIPDHLRMAPZZBM-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1=CCCCC1 ZINC001089617489 1360537142 /nfs/dbraw/zinc/53/71/42/1360537142.db2.gz AFRSGUWOVONVQQ-OALUTQOASA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1=CCCCC1 ZINC001089617489 1360537145 /nfs/dbraw/zinc/53/71/45/1360537145.db2.gz AFRSGUWOVONVQQ-OALUTQOASA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1=CCCCC1 ZINC001089617489 1360537148 /nfs/dbraw/zinc/53/71/48/1360537148.db2.gz AFRSGUWOVONVQQ-OALUTQOASA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CCCC2)CC[N@H+]1C ZINC001089643058 1360556360 /nfs/dbraw/zinc/55/63/60/1360556360.db2.gz RJSLNOGXSPVHEK-NZSAHSFTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC2CCCC2)CC[NH+]1C ZINC001089643058 1360556362 /nfs/dbraw/zinc/55/63/62/1360556362.db2.gz RJSLNOGXSPVHEK-NZSAHSFTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC2CCCC2)CC[NH+]1C ZINC001089643058 1360556363 /nfs/dbraw/zinc/55/63/63/1360556363.db2.gz RJSLNOGXSPVHEK-NZSAHSFTSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089723853 1360627425 /nfs/dbraw/zinc/62/74/25/1360627425.db2.gz PAWABBHSJITFSB-QGZVFWFLSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CCCCC2)C1 ZINC001089732100 1360635614 /nfs/dbraw/zinc/63/56/14/1360635614.db2.gz MCHZOYGUYIUGJU-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC2CCCCC2)C1 ZINC001089732100 1360635618 /nfs/dbraw/zinc/63/56/18/1360635618.db2.gz MCHZOYGUYIUGJU-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC2CCCCC2)C1 ZINC001089732100 1360635619 /nfs/dbraw/zinc/63/56/19/1360635619.db2.gz MCHZOYGUYIUGJU-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001089734183 1360638373 /nfs/dbraw/zinc/63/83/73/1360638373.db2.gz LDPZLVMTZTZSEJ-RBUKOAKNSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC=C(C)C ZINC001089734183 1360638377 /nfs/dbraw/zinc/63/83/77/1360638377.db2.gz LDPZLVMTZTZSEJ-RBUKOAKNSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC=C(C)C ZINC001089734183 1360638379 /nfs/dbraw/zinc/63/83/79/1360638379.db2.gz LDPZLVMTZTZSEJ-RBUKOAKNSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001091026570 1360982101 /nfs/dbraw/zinc/98/21/01/1360982101.db2.gz RCIJUCAMSHNHIU-MHJFOBGBSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CCC3CCCCCC3)C2)CC[N@H+]1C ZINC001091037016 1360983489 /nfs/dbraw/zinc/98/34/89/1360983489.db2.gz CJAYONJXIDQWKK-SGZDXZSOSA-N 2 1 349.563 3.172 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCCC[C@@H]1[NH+](C)C)CC3 ZINC001323954249 1387499782 /nfs/dbraw/zinc/49/97/82/1387499782.db2.gz YBRXGAJREASRTO-OREJSRFESA-N 2 1 341.499 3.496 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001092658523 1361434029 /nfs/dbraw/zinc/43/40/29/1361434029.db2.gz YKNOXAUSGOCRLU-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001092658523 1361434030 /nfs/dbraw/zinc/43/40/30/1361434030.db2.gz YKNOXAUSGOCRLU-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C ZINC001092658523 1361434032 /nfs/dbraw/zinc/43/40/32/1361434032.db2.gz YKNOXAUSGOCRLU-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001092829850 1361465152 /nfs/dbraw/zinc/46/51/52/1361465152.db2.gz JOQYOGMWWCFQPW-CRAIPNDOSA-N 2 1 342.487 3.068 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001093808300 1361699925 /nfs/dbraw/zinc/69/99/25/1361699925.db2.gz NPTHVJJNOIWYSZ-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCC2)[C@H](C)C1 ZINC001094159395 1361749263 /nfs/dbraw/zinc/74/92/63/1361749263.db2.gz KXADJDGMMOJJJT-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094497230 1361830770 /nfs/dbraw/zinc/83/07/70/1361830770.db2.gz PLPVDQUEPSWLAP-SFHLNBCPSA-N 2 1 347.547 3.164 20 0 EGADMP CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094497230 1361830774 /nfs/dbraw/zinc/83/07/74/1361830774.db2.gz PLPVDQUEPSWLAP-SFHLNBCPSA-N 2 1 347.547 3.164 20 0 EGADMP CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094497230 1361830776 /nfs/dbraw/zinc/83/07/76/1361830776.db2.gz PLPVDQUEPSWLAP-SFHLNBCPSA-N 2 1 347.547 3.164 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC001094551800 1361855410 /nfs/dbraw/zinc/85/54/10/1361855410.db2.gz OGVJZRCDERPUBT-TZIWHRDSSA-N 2 1 349.563 3.268 20 0 EGADMP CN(C)c1ncccc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001324104991 1387543389 /nfs/dbraw/zinc/54/33/89/1387543389.db2.gz DGEGUCOBLKJJTG-CRAIPNDOSA-N 2 1 344.528 3.382 20 0 EGADMP CN(C)c1ncccc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001324104991 1387543391 /nfs/dbraw/zinc/54/33/91/1387543391.db2.gz DGEGUCOBLKJJTG-CRAIPNDOSA-N 2 1 344.528 3.382 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001184808972 1387543535 /nfs/dbraw/zinc/54/35/35/1387543535.db2.gz CIFLDMRZKVMVSI-OIIZEAPSSA-N 2 1 346.519 3.012 20 0 EGADMP CC(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001094950975 1361958310 /nfs/dbraw/zinc/95/83/10/1361958310.db2.gz XZMUKBAFWJIFDH-LNLFQRSKSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001095407445 1362130397 /nfs/dbraw/zinc/13/03/97/1362130397.db2.gz ZTFQAQLWDJRGJY-VSZNYVQBSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001095407445 1362130399 /nfs/dbraw/zinc/13/03/99/1362130399.db2.gz ZTFQAQLWDJRGJY-VSZNYVQBSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001095407445 1362130401 /nfs/dbraw/zinc/13/04/01/1362130401.db2.gz ZTFQAQLWDJRGJY-VSZNYVQBSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001095668409 1362198785 /nfs/dbraw/zinc/19/87/85/1362198785.db2.gz OMGIWFMXAJJIHU-FUMNGEBKSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1 ZINC001095668409 1362198787 /nfs/dbraw/zinc/19/87/87/1362198787.db2.gz OMGIWFMXAJJIHU-FUMNGEBKSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001095668409 1362198788 /nfs/dbraw/zinc/19/87/88/1362198788.db2.gz OMGIWFMXAJJIHU-FUMNGEBKSA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCC2)CC1 ZINC001096103970 1362384304 /nfs/dbraw/zinc/38/43/04/1362384304.db2.gz BBWHMVACBXOPCK-AABGKKOBSA-N 2 1 347.547 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001096610723 1362595885 /nfs/dbraw/zinc/59/58/85/1362595885.db2.gz CHVDYNFLDDWRDR-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001096610723 1362595895 /nfs/dbraw/zinc/59/58/95/1362595895.db2.gz CHVDYNFLDDWRDR-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001096610723 1362595901 /nfs/dbraw/zinc/59/59/01/1362595901.db2.gz CHVDYNFLDDWRDR-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001097063119 1362829577 /nfs/dbraw/zinc/82/95/77/1362829577.db2.gz GZUDJNWTSRMRHL-AKHDSKFASA-N 2 1 335.536 3.017 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097063119 1362829581 /nfs/dbraw/zinc/82/95/81/1362829581.db2.gz GZUDJNWTSRMRHL-AKHDSKFASA-N 2 1 335.536 3.017 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001097063119 1362829582 /nfs/dbraw/zinc/82/95/82/1362829582.db2.gz GZUDJNWTSRMRHL-AKHDSKFASA-N 2 1 335.536 3.017 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)cc1 ZINC001324387503 1387616823 /nfs/dbraw/zinc/61/68/23/1387616823.db2.gz BDSUQULBGABQMG-QHCPKHFHSA-N 2 1 330.497 3.118 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001098463656 1363332954 /nfs/dbraw/zinc/33/29/54/1363332954.db2.gz AJFLDDPABSIFKE-ZJPYXAASSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001098463656 1363332955 /nfs/dbraw/zinc/33/29/55/1363332955.db2.gz AJFLDDPABSIFKE-ZJPYXAASSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001098463656 1363332959 /nfs/dbraw/zinc/33/29/59/1363332959.db2.gz AJFLDDPABSIFKE-ZJPYXAASSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001099106183 1363625323 /nfs/dbraw/zinc/62/53/23/1363625323.db2.gz CJXPYQMJKYAVCV-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001099106183 1363625325 /nfs/dbraw/zinc/62/53/25/1363625325.db2.gz CJXPYQMJKYAVCV-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001099106183 1363625329 /nfs/dbraw/zinc/62/53/29/1363625329.db2.gz CJXPYQMJKYAVCV-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(C)C)[NH+](CC)CC ZINC001099230980 1363704951 /nfs/dbraw/zinc/70/49/51/1363704951.db2.gz ZMLKTMBGHPHZCI-QZTJIDSGSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001099235149 1363706222 /nfs/dbraw/zinc/70/62/22/1363706222.db2.gz PPLWIJWMCMDWGK-ROUUACIJSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099239631 1363708358 /nfs/dbraw/zinc/70/83/58/1363708358.db2.gz HXSSCJLVXCDNOD-QGZVFWFLSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001099239631 1363708360 /nfs/dbraw/zinc/70/83/60/1363708360.db2.gz HXSSCJLVXCDNOD-QGZVFWFLSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001099239631 1363708362 /nfs/dbraw/zinc/70/83/62/1363708362.db2.gz HXSSCJLVXCDNOD-QGZVFWFLSA-N 2 1 339.568 3.227 20 0 EGADMP C[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC1)[NH+]1CCCCCC1 ZINC001099251379 1363714145 /nfs/dbraw/zinc/71/41/45/1363714145.db2.gz JFZAKMHRBKGZGD-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1C/C=C/Cl ZINC001099310668 1363743974 /nfs/dbraw/zinc/74/39/74/1363743974.db2.gz SGLGLPBZFWWWEF-AYAUWGRQSA-N 2 1 343.943 3.078 20 0 EGADMP CCCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001099335501 1363756730 /nfs/dbraw/zinc/75/67/30/1363756730.db2.gz WWJQVHNWPCLBJK-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001099335501 1363756734 /nfs/dbraw/zinc/75/67/34/1363756734.db2.gz WWJQVHNWPCLBJK-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001099335501 1363756737 /nfs/dbraw/zinc/75/67/37/1363756737.db2.gz WWJQVHNWPCLBJK-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340428 1363760700 /nfs/dbraw/zinc/76/07/00/1363760700.db2.gz UBBJFRCXKJYMCC-SFHVURJKSA-N 2 1 348.535 3.379 20 0 EGADMP CCCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340428 1363760702 /nfs/dbraw/zinc/76/07/02/1363760702.db2.gz UBBJFRCXKJYMCC-SFHVURJKSA-N 2 1 348.535 3.379 20 0 EGADMP CC1(C)CC(C[N@H+]2CC(C)(C)CC[C@@H]2CNC(=O)C[NH+]2CCCC2)C1 ZINC001099340763 1363761209 /nfs/dbraw/zinc/76/12/09/1363761209.db2.gz YLWMMGXSPJFUSD-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC(C[N@H+]2CC(C)(C)CC[C@H]2CNC(=O)C[NH+]2CCCC2)C1 ZINC001099340764 1363761508 /nfs/dbraw/zinc/76/15/08/1363761508.db2.gz YLWMMGXSPJFUSD-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099548180 1363842084 /nfs/dbraw/zinc/84/20/84/1363842084.db2.gz QZBOQGNEWGYLCV-YRPNKDGESA-N 2 1 349.563 3.077 20 0 EGADMP CC/C=C/CC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001100535987 1364150664 /nfs/dbraw/zinc/15/06/64/1364150664.db2.gz FBMOTHDWTCLOIS-SNAWJCMRSA-N 2 1 349.563 3.482 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001100677032 1364214146 /nfs/dbraw/zinc/21/41/46/1364214146.db2.gz WSLGUBJHKOPIDP-IPJUCJBFSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC001100676971 1364214355 /nfs/dbraw/zinc/21/43/55/1364214355.db2.gz VJILJWCDXRUPFH-QHGAOEGBSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001100681944 1364216568 /nfs/dbraw/zinc/21/65/68/1364216568.db2.gz ZSZLRHXSPWAVCR-WWDZGPRUSA-N 2 1 339.568 3.131 20 0 EGADMP CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001100848214 1364289997 /nfs/dbraw/zinc/28/99/97/1364289997.db2.gz CDMKWFWMPJBITQ-ZGTNPYQDSA-N 2 1 349.563 3.482 20 0 EGADMP CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001101034813 1364383003 /nfs/dbraw/zinc/38/30/03/1364383003.db2.gz LDJFLMKSHOMBHU-IUIHWDNRSA-N 2 1 343.515 3.130 20 0 EGADMP CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001101034812 1364383275 /nfs/dbraw/zinc/38/32/75/1364383275.db2.gz LDJFLMKSHOMBHU-FPIMBREOSA-N 2 1 343.515 3.130 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC(C(C)(C)C[NH2+]CCC(C)C)CC1 ZINC001101556102 1364617624 /nfs/dbraw/zinc/61/76/24/1364617624.db2.gz ZWUYLAVDDPJVMP-UHFFFAOYSA-N 2 1 348.535 3.092 20 0 EGADMP CC[C@@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001101595576 1364646010 /nfs/dbraw/zinc/64/60/10/1364646010.db2.gz ISBPLKCMXITPGI-MRXNPFEDSA-N 2 1 348.535 3.092 20 0 EGADMP CCCCC[N@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101984683 1364799760 /nfs/dbraw/zinc/79/97/60/1364799760.db2.gz GVHGNMUJYTVWKI-FGTMMUONSA-N 2 1 348.535 3.271 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101984683 1364799761 /nfs/dbraw/zinc/79/97/61/1364799761.db2.gz GVHGNMUJYTVWKI-FGTMMUONSA-N 2 1 348.535 3.271 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001102040555 1364821064 /nfs/dbraw/zinc/82/10/64/1364821064.db2.gz NKEXOCDNDJOYHF-VMASUYHGSA-N 2 1 349.563 3.005 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001102040555 1364821065 /nfs/dbraw/zinc/82/10/65/1364821065.db2.gz NKEXOCDNDJOYHF-VMASUYHGSA-N 2 1 349.563 3.005 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC001102040555 1364821066 /nfs/dbraw/zinc/82/10/66/1364821066.db2.gz NKEXOCDNDJOYHF-VMASUYHGSA-N 2 1 349.563 3.005 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102047617 1364822610 /nfs/dbraw/zinc/82/26/10/1364822610.db2.gz NGGVWGJPQGUOLC-KZNAEPCWSA-N 2 1 346.519 3.025 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102047617 1364822616 /nfs/dbraw/zinc/82/26/16/1364822616.db2.gz NGGVWGJPQGUOLC-KZNAEPCWSA-N 2 1 346.519 3.025 20 0 EGADMP CCCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](C)C1 ZINC001102112704 1364864426 /nfs/dbraw/zinc/86/44/26/1364864426.db2.gz CHLOIYXCGSBXMQ-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](C)C1 ZINC001102112704 1364864428 /nfs/dbraw/zinc/86/44/28/1364864428.db2.gz CHLOIYXCGSBXMQ-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](C)C1 ZINC001102112704 1364864433 /nfs/dbraw/zinc/86/44/33/1364864433.db2.gz CHLOIYXCGSBXMQ-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H](C)C1 ZINC001102264691 1364976271 /nfs/dbraw/zinc/97/62/71/1364976271.db2.gz WAHKQQADKLCZDU-IVCWSTDESA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001102264691 1364976273 /nfs/dbraw/zinc/97/62/73/1364976273.db2.gz WAHKQQADKLCZDU-IVCWSTDESA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001102264691 1364976278 /nfs/dbraw/zinc/97/62/78/1364976278.db2.gz WAHKQQADKLCZDU-IVCWSTDESA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375659 1365029328 /nfs/dbraw/zinc/02/93/28/1365029328.db2.gz VUICTOQFWRSNBW-MHEJJFAZSA-N 2 1 337.552 3.005 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375659 1365029331 /nfs/dbraw/zinc/02/93/31/1365029331.db2.gz VUICTOQFWRSNBW-MHEJJFAZSA-N 2 1 337.552 3.005 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375659 1365029335 /nfs/dbraw/zinc/02/93/35/1365029335.db2.gz VUICTOQFWRSNBW-MHEJJFAZSA-N 2 1 337.552 3.005 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@@H](C)c2cccc(C)c2)C[C@H]1C ZINC001102525597 1365099628 /nfs/dbraw/zinc/09/96/28/1365099628.db2.gz KKLMSWIZWFAIMS-WSTZPKSXSA-N 2 1 345.531 3.082 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C)c2)C[C@H]1C ZINC001102525597 1365099632 /nfs/dbraw/zinc/09/96/32/1365099632.db2.gz KKLMSWIZWFAIMS-WSTZPKSXSA-N 2 1 345.531 3.082 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2cccc(C)c2)C[C@H]1C ZINC001102525597 1365099635 /nfs/dbraw/zinc/09/96/35/1365099635.db2.gz KKLMSWIZWFAIMS-WSTZPKSXSA-N 2 1 345.531 3.082 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC001102599567 1365131714 /nfs/dbraw/zinc/13/17/14/1365131714.db2.gz LTUIPNUUIFIIKG-IEBWSBKVSA-N 2 1 345.531 3.236 20 0 EGADMP CCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102600146 1365131832 /nfs/dbraw/zinc/13/18/32/1365131832.db2.gz PCWGKRCBPZFIFU-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102600146 1365131837 /nfs/dbraw/zinc/13/18/37/1365131837.db2.gz PCWGKRCBPZFIFU-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001324661722 1387722529 /nfs/dbraw/zinc/72/25/29/1387722529.db2.gz OWROZVAGXIXBDS-AZUAARDMSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001324661722 1387722532 /nfs/dbraw/zinc/72/25/32/1387722532.db2.gz OWROZVAGXIXBDS-AZUAARDMSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001324661722 1387722533 /nfs/dbraw/zinc/72/25/33/1387722533.db2.gz OWROZVAGXIXBDS-AZUAARDMSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C)[NH+](C)C ZINC001103111743 1365386982 /nfs/dbraw/zinc/38/69/82/1365386982.db2.gz MHQGBOJJNAFJMX-KURKYZTESA-N 2 1 339.568 3.083 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001103136770 1365401672 /nfs/dbraw/zinc/40/16/72/1365401672.db2.gz QXJNRMMJYMWUAZ-RTBURBONSA-N 2 1 349.563 3.127 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001103156668 1365414351 /nfs/dbraw/zinc/41/43/51/1365414351.db2.gz QBBWOSVGSQTDRR-IEBWSBKVSA-N 2 1 349.563 3.291 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001103156668 1365414352 /nfs/dbraw/zinc/41/43/52/1365414352.db2.gz QBBWOSVGSQTDRR-IEBWSBKVSA-N 2 1 349.563 3.291 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C ZINC001103156668 1365414353 /nfs/dbraw/zinc/41/43/53/1365414353.db2.gz QBBWOSVGSQTDRR-IEBWSBKVSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001103373513 1365523276 /nfs/dbraw/zinc/52/32/76/1365523276.db2.gz VUXKMTVEHCUBIP-BRWVUGGUSA-N 2 1 349.519 3.075 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103379024 1365525517 /nfs/dbraw/zinc/52/55/17/1365525517.db2.gz WMOJUUGABUCHDB-GUDVDZBRSA-N 2 1 339.568 3.085 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CC2CCC2)C[C@H]1C ZINC001103495446 1365597253 /nfs/dbraw/zinc/59/72/53/1365597253.db2.gz CQPALBVMIWFMIB-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001103495446 1365597256 /nfs/dbraw/zinc/59/72/56/1365597256.db2.gz CQPALBVMIWFMIB-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001103495446 1365597260 /nfs/dbraw/zinc/59/72/60/1365597260.db2.gz CQPALBVMIWFMIB-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497752 1365597795 /nfs/dbraw/zinc/59/77/95/1365597795.db2.gz XKDFYTKAQIXZIK-YHTLKTDXSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724893 1365749518 /nfs/dbraw/zinc/74/95/18/1365749518.db2.gz YNEXKGQUQGUXNI-LJJUJYJISA-N 2 1 346.519 3.012 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724893 1365749524 /nfs/dbraw/zinc/74/95/24/1365749524.db2.gz YNEXKGQUQGUXNI-LJJUJYJISA-N 2 1 346.519 3.012 20 0 EGADMP CCCCC[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104312617 1365979574 /nfs/dbraw/zinc/97/95/74/1365979574.db2.gz KJWQSMCYIGJXFP-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)CC(C)(C)C ZINC001185723567 1387785271 /nfs/dbraw/zinc/78/52/71/1387785271.db2.gz NXGKFSRMNGHZBX-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CC2)C1 ZINC001104753631 1366157215 /nfs/dbraw/zinc/15/72/15/1366157215.db2.gz LFNULEVNXQGKIM-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC001324846631 1387790707 /nfs/dbraw/zinc/79/07/07/1387790707.db2.gz ZPFOLEPBUJZGKK-INIZCTEOSA-N 2 1 335.455 3.265 20 0 EGADMP Cn1ccnc1C[C@@H]1CCCN(Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC001324846631 1387790708 /nfs/dbraw/zinc/79/07/08/1387790708.db2.gz ZPFOLEPBUJZGKK-INIZCTEOSA-N 2 1 335.455 3.265 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([C@H]2[NH+](CC(C)C)CC23CCC3)CC1 ZINC001105396481 1366445229 /nfs/dbraw/zinc/44/52/29/1366445229.db2.gz MTUHHFFDVMDVCF-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@H]2[N@H+](CC(C)C)CC23CCC3)CC1 ZINC001105396481 1366445231 /nfs/dbraw/zinc/44/52/31/1366445231.db2.gz MTUHHFFDVMDVCF-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@H]2[N@@H+](CC(C)C)CC23CCC3)CC1 ZINC001105396481 1366445232 /nfs/dbraw/zinc/44/52/32/1366445232.db2.gz MTUHHFFDVMDVCF-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105518513 1366505796 /nfs/dbraw/zinc/50/57/96/1366505796.db2.gz ZZTPOOCQUHXGQO-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106673470 1366770537 /nfs/dbraw/zinc/77/05/37/1366770537.db2.gz ZUFOQXOFJBGLFU-QZTJIDSGSA-N 2 1 339.568 3.085 20 0 EGADMP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106727852 1366782634 /nfs/dbraw/zinc/78/26/34/1366782634.db2.gz WZSBFUTZGQIRHJ-QZTJIDSGSA-N 2 1 348.535 3.127 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC=C(C)C)[C@H](C)C1 ZINC001106860048 1366818505 /nfs/dbraw/zinc/81/85/05/1366818505.db2.gz GNXWUQBBIRDTQG-AQNXPRMDSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2ccccc2C)[C@H](C)C1 ZINC001106910563 1366830661 /nfs/dbraw/zinc/83/06/61/1366830661.db2.gz DMWOPTMXMJVACT-CEXWTWQISA-N 2 1 345.531 3.082 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCC1)CC2 ZINC001107442675 1366964995 /nfs/dbraw/zinc/96/49/95/1366964995.db2.gz JHBPSRQDKDMLCO-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2 ZINC001107442675 1366964998 /nfs/dbraw/zinc/96/49/98/1366964998.db2.gz JHBPSRQDKDMLCO-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2 ZINC001107442675 1366964999 /nfs/dbraw/zinc/96/49/99/1366964999.db2.gz JHBPSRQDKDMLCO-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[NH+](CC2CCCCCC2)C1 ZINC001324947139 1387843613 /nfs/dbraw/zinc/84/36/13/1387843613.db2.gz GYKMAIMPBZJPER-CTNGQTDRSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@H+](CC2CCCCCC2)C1 ZINC001324947139 1387843614 /nfs/dbraw/zinc/84/36/14/1387843614.db2.gz GYKMAIMPBZJPER-CTNGQTDRSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CC2CCCCCC2)C1 ZINC001324947139 1387843616 /nfs/dbraw/zinc/84/36/16/1387843616.db2.gz GYKMAIMPBZJPER-CTNGQTDRSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)(C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2)[NH+]1CCCC1 ZINC001107495041 1366994550 /nfs/dbraw/zinc/99/45/50/1366994550.db2.gz HPTVMXCQPVHXPZ-WIYYLYMNSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CCCCC1)CC2 ZINC001107530630 1367022688 /nfs/dbraw/zinc/02/26/88/1367022688.db2.gz DCJSESVZKFGQKD-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609088 1367070501 /nfs/dbraw/zinc/07/05/01/1367070501.db2.gz CBIYNAZVJSYSQN-QKNQBKEWSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609088 1367070503 /nfs/dbraw/zinc/07/05/03/1367070503.db2.gz CBIYNAZVJSYSQN-QKNQBKEWSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609088 1367070510 /nfs/dbraw/zinc/07/05/10/1367070510.db2.gz CBIYNAZVJSYSQN-QKNQBKEWSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)C)CC2 ZINC001107615700 1367074608 /nfs/dbraw/zinc/07/46/08/1367074608.db2.gz JFSMUBNAAPFQFR-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)C)CC2 ZINC001107615700 1367074610 /nfs/dbraw/zinc/07/46/10/1367074610.db2.gz JFSMUBNAAPFQFR-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)C)CC2 ZINC001107615700 1367074618 /nfs/dbraw/zinc/07/46/18/1367074618.db2.gz JFSMUBNAAPFQFR-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CCC)CCC[C@@H]12 ZINC001107615689 1367074845 /nfs/dbraw/zinc/07/48/45/1367074845.db2.gz IKCKWCLYYASJLA-RTVDBWQISA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001107615689 1367074847 /nfs/dbraw/zinc/07/48/47/1367074847.db2.gz IKCKWCLYYASJLA-RTVDBWQISA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001107615689 1367074849 /nfs/dbraw/zinc/07/48/49/1367074849.db2.gz IKCKWCLYYASJLA-RTVDBWQISA-N 2 1 349.563 3.435 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CCCC1)CC2 ZINC001107617842 1367075787 /nfs/dbraw/zinc/07/57/87/1367075787.db2.gz QWKZOYHDHDBCPL-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CCCC1)CC2 ZINC001107617842 1367075792 /nfs/dbraw/zinc/07/57/92/1367075792.db2.gz QWKZOYHDHDBCPL-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CCCC1)CC2 ZINC001107617842 1367075801 /nfs/dbraw/zinc/07/58/01/1367075801.db2.gz QWKZOYHDHDBCPL-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646586 1367091989 /nfs/dbraw/zinc/09/19/89/1367091989.db2.gz LSPSMIAWKYFBJJ-UYAOXDASSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646586 1367091993 /nfs/dbraw/zinc/09/19/93/1367091993.db2.gz LSPSMIAWKYFBJJ-UYAOXDASSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646586 1367091996 /nfs/dbraw/zinc/09/19/96/1367091996.db2.gz LSPSMIAWKYFBJJ-UYAOXDASSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109399855 1367104086 /nfs/dbraw/zinc/10/40/86/1367104086.db2.gz ZMAQAPRFWAKRRK-MIIYPZDFSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109399855 1367104090 /nfs/dbraw/zinc/10/40/90/1367104090.db2.gz ZMAQAPRFWAKRRK-MIIYPZDFSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001109399855 1367104093 /nfs/dbraw/zinc/10/40/93/1367104093.db2.gz ZMAQAPRFWAKRRK-MIIYPZDFSA-N 2 1 347.547 3.327 20 0 EGADMP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001109402396 1367105785 /nfs/dbraw/zinc/10/57/85/1367105785.db2.gz PODPNBROKOFYGD-VSZNYVQBSA-N 2 1 344.503 3.062 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001109402396 1367105789 /nfs/dbraw/zinc/10/57/89/1367105789.db2.gz PODPNBROKOFYGD-VSZNYVQBSA-N 2 1 344.503 3.062 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109419299 1367113265 /nfs/dbraw/zinc/11/32/65/1367113265.db2.gz NGAXGUWBEPPGHJ-CKZPPYNSSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001109419299 1367113268 /nfs/dbraw/zinc/11/32/68/1367113268.db2.gz NGAXGUWBEPPGHJ-CKZPPYNSSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001109419299 1367113271 /nfs/dbraw/zinc/11/32/71/1367113271.db2.gz NGAXGUWBEPPGHJ-CKZPPYNSSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001190084472 1367168584 /nfs/dbraw/zinc/16/85/84/1367168584.db2.gz NWDBJGXQSKTQRS-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001190084472 1367168587 /nfs/dbraw/zinc/16/85/87/1367168587.db2.gz NWDBJGXQSKTQRS-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001190084472 1367168588 /nfs/dbraw/zinc/16/85/88/1367168588.db2.gz NWDBJGXQSKTQRS-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001109555087 1367194876 /nfs/dbraw/zinc/19/48/76/1367194876.db2.gz GYCWVXVJRKBMCY-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001190443160 1367267214 /nfs/dbraw/zinc/26/72/14/1367267214.db2.gz FITHUFZPVQGFFT-SJORKVTESA-N 2 1 343.531 3.025 20 0 EGADMP CC[N@H+](CCc1cccs1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001190560945 1367293739 /nfs/dbraw/zinc/29/37/39/1367293739.db2.gz MWJRCRDKUFYABP-HXUWFJFHSA-N 2 1 344.524 3.250 20 0 EGADMP CC[N@@H+](CCc1cccs1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001190560945 1367293742 /nfs/dbraw/zinc/29/37/42/1367293742.db2.gz MWJRCRDKUFYABP-HXUWFJFHSA-N 2 1 344.524 3.250 20 0 EGADMP CC[NH+](CCc1cccs1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001190560945 1367293747 /nfs/dbraw/zinc/29/37/47/1367293747.db2.gz MWJRCRDKUFYABP-HXUWFJFHSA-N 2 1 344.524 3.250 20 0 EGADMP CC[NH+](CCc1cccs1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001190560945 1367293749 /nfs/dbraw/zinc/29/37/49/1367293749.db2.gz MWJRCRDKUFYABP-HXUWFJFHSA-N 2 1 344.524 3.250 20 0 EGADMP C[N@@H+](CCC(C)(C)C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190655568 1367318335 /nfs/dbraw/zinc/31/83/35/1367318335.db2.gz QJINVSDNPAXHTL-OALUTQOASA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](CCC(C)(C)C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190655568 1367318339 /nfs/dbraw/zinc/31/83/39/1367318339.db2.gz QJINVSDNPAXHTL-OALUTQOASA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](CCC(C)(C)C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190655568 1367318343 /nfs/dbraw/zinc/31/83/43/1367318343.db2.gz QJINVSDNPAXHTL-OALUTQOASA-N 2 1 349.563 3.362 20 0 EGADMP C[N@@H+](CCC(C)(C)C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190655572 1367318941 /nfs/dbraw/zinc/31/89/41/1367318941.db2.gz QJINVSDNPAXHTL-RTBURBONSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](CCC(C)(C)C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190655572 1367318947 /nfs/dbraw/zinc/31/89/47/1367318947.db2.gz QJINVSDNPAXHTL-RTBURBONSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](CCC(C)(C)C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190655572 1367318951 /nfs/dbraw/zinc/31/89/51/1367318951.db2.gz QJINVSDNPAXHTL-RTBURBONSA-N 2 1 349.563 3.362 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190657062 1367320196 /nfs/dbraw/zinc/32/01/96/1367320196.db2.gz YHBNMJYWGZKIQM-UHDDOPSISA-N 2 1 347.547 3.282 20 0 EGADMP CC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190657062 1367320201 /nfs/dbraw/zinc/32/02/01/1367320201.db2.gz YHBNMJYWGZKIQM-UHDDOPSISA-N 2 1 347.547 3.282 20 0 EGADMP CC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190657062 1367320206 /nfs/dbraw/zinc/32/02/06/1367320206.db2.gz YHBNMJYWGZKIQM-UHDDOPSISA-N 2 1 347.547 3.282 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001190997120 1367398005 /nfs/dbraw/zinc/39/80/05/1367398005.db2.gz QZSWHINDFPPEAD-WMZOPIPTSA-N 2 1 331.504 3.011 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001190997120 1367398008 /nfs/dbraw/zinc/39/80/08/1367398008.db2.gz QZSWHINDFPPEAD-WMZOPIPTSA-N 2 1 331.504 3.011 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001190997120 1367398014 /nfs/dbraw/zinc/39/80/14/1367398014.db2.gz QZSWHINDFPPEAD-WMZOPIPTSA-N 2 1 331.504 3.011 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191049919 1367410343 /nfs/dbraw/zinc/41/03/43/1367410343.db2.gz CUUSMCUIUNMQKJ-IBGZPJMESA-N 2 1 346.519 3.021 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162277 1367436747 /nfs/dbraw/zinc/43/67/47/1367436747.db2.gz NZNWOFRIQNTBDV-KRWDZBQOSA-N 2 1 328.460 3.061 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115324 1367507815 /nfs/dbraw/zinc/50/78/15/1367507815.db2.gz SUKGGPIONFXEEU-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148182 1367526137 /nfs/dbraw/zinc/52/61/37/1367526137.db2.gz MUSOBRRJWVDMAZ-HILSMNSFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153793 1367527852 /nfs/dbraw/zinc/52/78/52/1367527852.db2.gz LJPOFSRQFNZXBR-SQNIBIBYSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001108733944 1367565634 /nfs/dbraw/zinc/56/56/34/1367565634.db2.gz LTQAAFXCIMMTKE-LNLFQRSKSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC[C@H]([N@@H+](C)CC2CCC(C)(C)CC2)C1 ZINC001192048206 1367673752 /nfs/dbraw/zinc/67/37/52/1367673752.db2.gz XIMLDVAKKHFFSJ-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CC2(CC(=O)OC)CC2)CC1)CC1CC1 ZINC001192500586 1367797480 /nfs/dbraw/zinc/79/74/80/1367797480.db2.gz JEHPHLWGCJHNRT-UHFFFAOYSA-N 2 1 336.520 3.164 20 0 EGADMP C[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001192656406 1367844157 /nfs/dbraw/zinc/84/41/57/1367844157.db2.gz RZZTZJAZQFSNQW-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192846267 1367886821 /nfs/dbraw/zinc/88/68/21/1367886821.db2.gz LBERMXIXCUFXRT-HXUWFJFHSA-N 2 1 345.531 3.331 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CCC(C)(C)C)C1 ZINC001192907275 1367901695 /nfs/dbraw/zinc/90/16/95/1367901695.db2.gz VGCFKWAQOYJDOC-SFHVURJKSA-N 2 1 339.568 3.467 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001192907275 1367901699 /nfs/dbraw/zinc/90/16/99/1367901699.db2.gz VGCFKWAQOYJDOC-SFHVURJKSA-N 2 1 339.568 3.467 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001192907275 1367901706 /nfs/dbraw/zinc/90/17/06/1367901706.db2.gz VGCFKWAQOYJDOC-SFHVURJKSA-N 2 1 339.568 3.467 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)C)C1)C(C)C ZINC001192918162 1367904822 /nfs/dbraw/zinc/90/48/22/1367904822.db2.gz XZSRMAWTBZHCFI-MOPGFXCFSA-N 2 1 339.568 3.322 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001110684517 1367926037 /nfs/dbraw/zinc/92/60/37/1367926037.db2.gz NGAXGUWBEPPGHJ-BWGAQWGUSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001110684517 1367926044 /nfs/dbraw/zinc/92/60/44/1367926044.db2.gz NGAXGUWBEPPGHJ-BWGAQWGUSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001110684517 1367926050 /nfs/dbraw/zinc/92/60/50/1367926050.db2.gz NGAXGUWBEPPGHJ-BWGAQWGUSA-N 2 1 347.547 3.329 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001110684799 1367926436 /nfs/dbraw/zinc/92/64/36/1367926436.db2.gz ZIEGHHTXOOPSHP-MLHJIOFPSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001110684799 1367926438 /nfs/dbraw/zinc/92/64/38/1367926438.db2.gz ZIEGHHTXOOPSHP-MLHJIOFPSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001110684799 1367926443 /nfs/dbraw/zinc/92/64/43/1367926443.db2.gz ZIEGHHTXOOPSHP-MLHJIOFPSA-N 2 1 335.536 3.019 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCC(C)C)C1 ZINC001193389699 1368017202 /nfs/dbraw/zinc/01/72/02/1368017202.db2.gz GMNYMBQVEWJAJN-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCC(C)C)C1 ZINC001193389699 1368017206 /nfs/dbraw/zinc/01/72/06/1368017206.db2.gz GMNYMBQVEWJAJN-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC(C)C)C1 ZINC001193389699 1368017210 /nfs/dbraw/zinc/01/72/10/1368017210.db2.gz GMNYMBQVEWJAJN-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@@H+](C)C/C=C\Cl)C1 ZINC001193425284 1368026561 /nfs/dbraw/zinc/02/65/61/1368026561.db2.gz UXKUIHXRLNBFDJ-JEZWAEDTSA-N 2 1 343.943 3.174 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110885985 1368059238 /nfs/dbraw/zinc/05/92/38/1368059238.db2.gz GVCJDYPOUCPJHP-MANSERQUSA-N 2 1 349.563 3.265 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001193560819 1368062171 /nfs/dbraw/zinc/06/21/71/1368062171.db2.gz VHGRLZVMBSDNDL-ICSRJNTNSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC2CCCCCC2)C1 ZINC001193600798 1368070570 /nfs/dbraw/zinc/07/05/70/1368070570.db2.gz LXQJDOZNUKGVNN-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC2CCCCCC2)C1 ZINC001193600798 1368070573 /nfs/dbraw/zinc/07/05/73/1368070573.db2.gz LXQJDOZNUKGVNN-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC001193600798 1368070576 /nfs/dbraw/zinc/07/05/76/1368070576.db2.gz LXQJDOZNUKGVNN-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001193609782 1368073254 /nfs/dbraw/zinc/07/32/54/1368073254.db2.gz IVKFZNHWAIOYIP-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001193609782 1368073258 /nfs/dbraw/zinc/07/32/58/1368073258.db2.gz IVKFZNHWAIOYIP-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001193609782 1368073261 /nfs/dbraw/zinc/07/32/61/1368073261.db2.gz IVKFZNHWAIOYIP-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001193610455 1368074119 /nfs/dbraw/zinc/07/41/19/1368074119.db2.gz PHYXYTPLDWPAOR-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001193610455 1368074123 /nfs/dbraw/zinc/07/41/23/1368074123.db2.gz PHYXYTPLDWPAOR-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001193610455 1368074127 /nfs/dbraw/zinc/07/41/27/1368074127.db2.gz PHYXYTPLDWPAOR-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@H](CC)c2ccc(F)cc2)C1 ZINC001193639557 1368081650 /nfs/dbraw/zinc/08/16/50/1368081650.db2.gz AUENHYCFFBQOKX-RTBURBONSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)[C@H](CC)c2ccc(F)cc2)C1 ZINC001193639557 1368081652 /nfs/dbraw/zinc/08/16/52/1368081652.db2.gz AUENHYCFFBQOKX-RTBURBONSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](CC)c2ccc(F)cc2)C1 ZINC001193639557 1368081663 /nfs/dbraw/zinc/08/16/63/1368081663.db2.gz AUENHYCFFBQOKX-RTBURBONSA-N 2 1 349.494 3.151 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCCC1 ZINC001110960459 1368125202 /nfs/dbraw/zinc/12/52/02/1368125202.db2.gz DQNOZTRYAPTZAN-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111030851 1368147199 /nfs/dbraw/zinc/14/71/99/1368147199.db2.gz HKYRABCHGZLKOE-KURKYZTESA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001111030851 1368147204 /nfs/dbraw/zinc/14/72/04/1368147204.db2.gz HKYRABCHGZLKOE-KURKYZTESA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111030851 1368147207 /nfs/dbraw/zinc/14/72/07/1368147207.db2.gz HKYRABCHGZLKOE-KURKYZTESA-N 2 1 337.552 3.122 20 0 EGADMP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001111077992 1368153683 /nfs/dbraw/zinc/15/36/83/1368153683.db2.gz FKULQGFYIDYTSC-ICAPBKMHSA-N 2 1 344.503 3.084 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001111077992 1368153690 /nfs/dbraw/zinc/15/36/90/1368153690.db2.gz FKULQGFYIDYTSC-ICAPBKMHSA-N 2 1 344.503 3.084 20 0 EGADMP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150147 1368166241 /nfs/dbraw/zinc/16/62/41/1368166241.db2.gz HBIZBOLTZKQXIY-IBMHEYTHSA-N 2 1 344.503 3.050 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150147 1368166245 /nfs/dbraw/zinc/16/62/45/1368166245.db2.gz HBIZBOLTZKQXIY-IBMHEYTHSA-N 2 1 344.503 3.050 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194080402 1368179463 /nfs/dbraw/zinc/17/94/63/1368179463.db2.gz JXZGSKBNNJMSKF-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111180958 1368182508 /nfs/dbraw/zinc/18/25/08/1368182508.db2.gz WYEKZWVWLLQVRV-WTGUMLROSA-N 2 1 349.563 3.122 20 0 EGADMP C[N@@H+](CCC1CCCCC1)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194227304 1368212625 /nfs/dbraw/zinc/21/26/25/1368212625.db2.gz JSQJKOVQCCMOHZ-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245442 1368216313 /nfs/dbraw/zinc/21/63/13/1368216313.db2.gz AIXWLZIWIBTZCA-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429461 1368259474 /nfs/dbraw/zinc/25/94/74/1368259474.db2.gz JFPMSHGWOVNCBZ-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194430062 1368260503 /nfs/dbraw/zinc/26/05/03/1368260503.db2.gz RCVJKWDLBHIJSA-VZSQWMKGSA-N 2 1 335.536 3.142 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001186405654 1387935444 /nfs/dbraw/zinc/93/54/44/1387935444.db2.gz WDIANGWPGWZQQS-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001196201048 1368566664 /nfs/dbraw/zinc/56/66/64/1368566664.db2.gz SWVYUCSGCCVYQB-SFFCAUCYSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001196201048 1368566670 /nfs/dbraw/zinc/56/66/70/1368566670.db2.gz SWVYUCSGCCVYQB-SFFCAUCYSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001196201048 1368566672 /nfs/dbraw/zinc/56/66/72/1368566672.db2.gz SWVYUCSGCCVYQB-SFFCAUCYSA-N 2 1 335.536 3.142 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[NH+](CCCC(C)C)CC2)C1 ZINC001196890596 1368708448 /nfs/dbraw/zinc/70/84/48/1368708448.db2.gz RWQPNYXLPRYIDP-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[N@H+](CCCC(C)C)CC2)C1 ZINC001196890596 1368708452 /nfs/dbraw/zinc/70/84/52/1368708452.db2.gz RWQPNYXLPRYIDP-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[N@@H+](CCCC(C)C)CC2)C1 ZINC001196890596 1368708457 /nfs/dbraw/zinc/70/84/57/1368708457.db2.gz RWQPNYXLPRYIDP-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@H+]2CCCN(C(=O)CC[NH+](C)C)CC2)cc1 ZINC001197043153 1368734725 /nfs/dbraw/zinc/73/47/25/1368734725.db2.gz CCMSCUDOHBFFLS-SFHVURJKSA-N 2 1 345.531 3.357 20 0 EGADMP CC[C@@H](C(=O)N1CCC[N@@H+](CCC2CCCC2)CC1)[NH+](CC)CC ZINC001197141095 1368753507 /nfs/dbraw/zinc/75/35/07/1368753507.db2.gz BCLOLCVTMBMBAN-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP Cc1nccn1CCCC(=O)N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001197454760 1368818279 /nfs/dbraw/zinc/81/82/79/1368818279.db2.gz VWEZPXDFONAQHH-UHFFFAOYSA-N 2 1 346.519 3.086 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[N@H+](CCC2CCCC2)CC1 ZINC001197454760 1368818283 /nfs/dbraw/zinc/81/82/83/1368818283.db2.gz VWEZPXDFONAQHH-UHFFFAOYSA-N 2 1 346.519 3.086 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001197454760 1368818285 /nfs/dbraw/zinc/81/82/85/1368818285.db2.gz VWEZPXDFONAQHH-UHFFFAOYSA-N 2 1 346.519 3.086 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[NH+](CCC(C)(C)C)CC1 ZINC001197478073 1368822915 /nfs/dbraw/zinc/82/29/15/1368822915.db2.gz TXRYJGCDORZRMA-UHFFFAOYSA-N 2 1 339.568 3.469 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001197478073 1368822918 /nfs/dbraw/zinc/82/29/18/1368822918.db2.gz TXRYJGCDORZRMA-UHFFFAOYSA-N 2 1 339.568 3.469 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001197478073 1368822921 /nfs/dbraw/zinc/82/29/21/1368822921.db2.gz TXRYJGCDORZRMA-UHFFFAOYSA-N 2 1 339.568 3.469 20 0 EGADMP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001112437097 1368852527 /nfs/dbraw/zinc/85/25/27/1368852527.db2.gz XKRSERWNFDJRAM-PXNSSMCTSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@H+](C[C@H](F)CC)CC1 ZINC001197795582 1368899197 /nfs/dbraw/zinc/89/91/97/1368899197.db2.gz YBFBJXBJSBMRRP-GOSISDBHSA-N 2 1 343.531 3.171 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](C[C@H](F)CC)CC1 ZINC001197795582 1368899202 /nfs/dbraw/zinc/89/92/02/1368899202.db2.gz YBFBJXBJSBMRRP-GOSISDBHSA-N 2 1 343.531 3.171 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197801787 1368901420 /nfs/dbraw/zinc/90/14/20/1368901420.db2.gz CVHPBXFQNSMKIK-UYAOXDASSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197801787 1368901424 /nfs/dbraw/zinc/90/14/24/1368901424.db2.gz CVHPBXFQNSMKIK-UYAOXDASSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@@H](C)C[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001197801787 1368901425 /nfs/dbraw/zinc/90/14/25/1368901425.db2.gz CVHPBXFQNSMKIK-UYAOXDASSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@@H](C)C[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001197801787 1368901428 /nfs/dbraw/zinc/90/14/28/1368901428.db2.gz CVHPBXFQNSMKIK-UYAOXDASSA-N 2 1 345.531 3.260 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197878869 1368917822 /nfs/dbraw/zinc/91/78/22/1368917822.db2.gz AJPPKFBOEQZXMP-QGZVFWFLSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2c(C)cccc2C)CC1 ZINC001197907991 1368923135 /nfs/dbraw/zinc/92/31/35/1368923135.db2.gz ODMISHSDUSFXRA-UHFFFAOYSA-N 2 1 345.531 3.070 20 0 EGADMP CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001198277626 1368995903 /nfs/dbraw/zinc/99/59/03/1368995903.db2.gz FAXMRABWVBAVDE-LJQANCHMSA-N 2 1 330.472 3.058 20 0 EGADMP CC1(C)CC(C[N@H+]2CCCN(C(=O)CCCC[NH+]3CCCC3)CC2)C1 ZINC001198363676 1369015677 /nfs/dbraw/zinc/01/56/77/1369015677.db2.gz HANHZEMPQLWDHP-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001112855085 1369048172 /nfs/dbraw/zinc/04/81/72/1369048172.db2.gz KAILGQBMENJFDV-SREVYHEPSA-N 2 1 335.536 3.142 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001112966463 1369113282 /nfs/dbraw/zinc/11/32/82/1369113282.db2.gz ZUIFNOIKFBCLIV-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001198968468 1369160534 /nfs/dbraw/zinc/16/05/34/1369160534.db2.gz IXUDOKWRGYFFMV-IXDOHACOSA-N 2 1 335.561 3.451 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC([C@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC001186605306 1387983931 /nfs/dbraw/zinc/98/39/31/1387983931.db2.gz NNZPJSIVQBQGRO-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001113054220 1369169474 /nfs/dbraw/zinc/16/94/74/1369169474.db2.gz ZCLURSXKOQUBPZ-WAYWQWQTSA-N 2 1 340.471 3.147 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+](CCC)CC2)CC1 ZINC001186605215 1387984312 /nfs/dbraw/zinc/98/43/12/1387984312.db2.gz LVBUDBCSOAOLRZ-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@H+](CCC)CC2)CC1 ZINC001186605215 1387984315 /nfs/dbraw/zinc/98/43/15/1387984315.db2.gz LVBUDBCSOAOLRZ-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@@H+](CCC)CC2)CC1 ZINC001186605215 1387984318 /nfs/dbraw/zinc/98/43/18/1387984318.db2.gz LVBUDBCSOAOLRZ-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CC[C@@H](C(=O)N1CC[NH+](Cc2cc(C)ccc2C)CC1)[NH+](CC)CC ZINC001113337078 1369357274 /nfs/dbraw/zinc/35/72/74/1369357274.db2.gz PHPMKWSWGVSYGA-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001113402991 1369401152 /nfs/dbraw/zinc/40/11/52/1369401152.db2.gz NQMYCIHXLQCJLS-OVKVCFKUSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001113402991 1369401156 /nfs/dbraw/zinc/40/11/56/1369401156.db2.gz NQMYCIHXLQCJLS-OVKVCFKUSA-N 2 1 335.536 3.140 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCCC3CCCC3)CC2)CC[N@H+]1C ZINC001200644782 1369404761 /nfs/dbraw/zinc/40/47/61/1369404761.db2.gz QYEUGIPVEYXTPA-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001113432350 1369423734 /nfs/dbraw/zinc/42/37/34/1369423734.db2.gz ZTRROZPZBURWTL-SREVYHEPSA-N 2 1 343.515 3.252 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001200838552 1369437219 /nfs/dbraw/zinc/43/72/19/1369437219.db2.gz UHOBWOCJWWEEHU-BVYCBKJFSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001200838552 1369437220 /nfs/dbraw/zinc/43/72/20/1369437220.db2.gz UHOBWOCJWWEEHU-BVYCBKJFSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001200838552 1369437222 /nfs/dbraw/zinc/43/72/22/1369437222.db2.gz UHOBWOCJWWEEHU-BVYCBKJFSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001200838552 1369437225 /nfs/dbraw/zinc/43/72/25/1369437225.db2.gz UHOBWOCJWWEEHU-BVYCBKJFSA-N 2 1 341.543 3.361 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001201043308 1369469993 /nfs/dbraw/zinc/46/99/93/1369469993.db2.gz BLLFSANFUDRXLJ-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201052025 1369472338 /nfs/dbraw/zinc/47/23/38/1369472338.db2.gz DFABUAWNUQRFPM-LJQANCHMSA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053879 1369473081 /nfs/dbraw/zinc/47/30/81/1369473081.db2.gz ZXUZJCVONWUWBO-QGZVFWFLSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001201229896 1369500142 /nfs/dbraw/zinc/50/01/42/1369500142.db2.gz HNTSEZDECGBOIB-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@H](C)c2ccccc2)CC1 ZINC001201313762 1369516330 /nfs/dbraw/zinc/51/63/30/1369516330.db2.gz HBQPEZAVPYKIRZ-MRXNPFEDSA-N 2 1 331.504 3.059 20 0 EGADMP CCC[C@@H](C)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001201544632 1369569873 /nfs/dbraw/zinc/56/98/73/1369569873.db2.gz RLCKLHZZNWQIRJ-PBASOCQRSA-N 2 1 344.547 3.494 20 0 EGADMP CCC[C@@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001201544632 1369569878 /nfs/dbraw/zinc/56/98/78/1369569878.db2.gz RLCKLHZZNWQIRJ-PBASOCQRSA-N 2 1 344.547 3.494 20 0 EGADMP CCC[C@@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001201544632 1369569883 /nfs/dbraw/zinc/56/98/83/1369569883.db2.gz RLCKLHZZNWQIRJ-PBASOCQRSA-N 2 1 344.547 3.494 20 0 EGADMP CCCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001201749841 1369616677 /nfs/dbraw/zinc/61/66/77/1369616677.db2.gz CPGXHQFMDSQTBS-QYZOEREBSA-N 2 1 333.524 3.032 20 0 EGADMP CCCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001201749841 1369616679 /nfs/dbraw/zinc/61/66/79/1369616679.db2.gz CPGXHQFMDSQTBS-QYZOEREBSA-N 2 1 333.524 3.032 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC([NH2+]CC2CCC2)CC1)C1CCCCC1 ZINC001201818976 1369629160 /nfs/dbraw/zinc/62/91/60/1369629160.db2.gz XYFLPSFQSCVJME-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001202526799 1369799881 /nfs/dbraw/zinc/79/98/81/1369799881.db2.gz PRWRRDHYMATNLH-CMDGGOBGSA-N 2 1 337.552 3.291 20 0 EGADMP CC(C)(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001202862867 1369911159 /nfs/dbraw/zinc/91/11/59/1369911159.db2.gz HHYHFQJKUANGDD-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001114403119 1369933652 /nfs/dbraw/zinc/93/36/52/1369933652.db2.gz NGMWCCOFBOMEPQ-FGYNVTLCSA-N 2 1 347.547 3.042 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2C(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001114403119 1369933657 /nfs/dbraw/zinc/93/36/57/1369933657.db2.gz NGMWCCOFBOMEPQ-FGYNVTLCSA-N 2 1 347.547 3.042 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2C(NC(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001114403119 1369933660 /nfs/dbraw/zinc/93/36/60/1369933660.db2.gz NGMWCCOFBOMEPQ-FGYNVTLCSA-N 2 1 347.547 3.042 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C12CCC2)C1CCC1 ZINC001203044558 1369965145 /nfs/dbraw/zinc/96/51/45/1369965145.db2.gz MHCXGGAFSXZOJO-MOPGFXCFSA-N 2 1 347.547 3.068 20 0 EGADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cn[nH]c3)C[C@H]21 ZINC001203091099 1369979936 /nfs/dbraw/zinc/97/99/36/1369979936.db2.gz UTOZKDLCWKOWEQ-KBAYOESNSA-N 2 1 330.501 3.204 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cn[nH]c3)C[C@H]21 ZINC001203091099 1369979938 /nfs/dbraw/zinc/97/99/38/1369979938.db2.gz UTOZKDLCWKOWEQ-KBAYOESNSA-N 2 1 330.501 3.204 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]21 ZINC001203091099 1369979941 /nfs/dbraw/zinc/97/99/41/1369979941.db2.gz UTOZKDLCWKOWEQ-KBAYOESNSA-N 2 1 330.501 3.204 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]21 ZINC001203091099 1369979943 /nfs/dbraw/zinc/97/99/43/1369979943.db2.gz UTOZKDLCWKOWEQ-KBAYOESNSA-N 2 1 330.501 3.204 20 0 EGADMP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)o1 ZINC001203292008 1370065073 /nfs/dbraw/zinc/06/50/73/1370065073.db2.gz GZZBPMKCTBJFKN-KRWDZBQOSA-N 2 1 344.455 3.437 20 0 EGADMP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001203313481 1370078085 /nfs/dbraw/zinc/07/80/85/1370078085.db2.gz RMXWWIWFAVMCGD-FXAWDEMLSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc2n[nH]cc21 ZINC001203357638 1370096321 /nfs/dbraw/zinc/09/63/21/1370096321.db2.gz MDFBLBJREFUALB-VQIMIIECSA-N 2 1 334.467 3.421 20 0 EGADMP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203641171 1370198070 /nfs/dbraw/zinc/19/80/70/1370198070.db2.gz ORXBLIXZWVRBHL-ZWKOTPCHSA-N 2 1 337.552 3.316 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203652552 1370202459 /nfs/dbraw/zinc/20/24/59/1370202459.db2.gz VOFPNYZEOXSJHP-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4cccc(Cl)c4)C[C@H]3C2)cn1 ZINC001203800877 1370270871 /nfs/dbraw/zinc/27/08/71/1370270871.db2.gz YBLVAJNNYAKLIC-QZTJIDSGSA-N 2 1 344.890 3.027 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc(Cl)c4)C[C@H]3C2)cn1 ZINC001203800877 1370270875 /nfs/dbraw/zinc/27/08/75/1370270875.db2.gz YBLVAJNNYAKLIC-QZTJIDSGSA-N 2 1 344.890 3.027 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc(Cl)c4)C[C@H]3C2)cn1 ZINC001203800877 1370270877 /nfs/dbraw/zinc/27/08/77/1370270877.db2.gz YBLVAJNNYAKLIC-QZTJIDSGSA-N 2 1 344.890 3.027 20 0 EGADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc(Cl)c4)C[C@H]3C2)cn1 ZINC001203800877 1370270881 /nfs/dbraw/zinc/27/08/81/1370270881.db2.gz YBLVAJNNYAKLIC-QZTJIDSGSA-N 2 1 344.890 3.027 20 0 EGADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc(Cl)c4)C[C@H]3C2)cn1 ZINC001203800877 1370270885 /nfs/dbraw/zinc/27/08/85/1370270885.db2.gz YBLVAJNNYAKLIC-QZTJIDSGSA-N 2 1 344.890 3.027 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001115104374 1370281799 /nfs/dbraw/zinc/28/17/99/1370281799.db2.gz ULWAGRHYQJNNET-KOQDSTEYSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001115104374 1370281808 /nfs/dbraw/zinc/28/18/08/1370281808.db2.gz ULWAGRHYQJNNET-KOQDSTEYSA-N 2 1 347.547 3.044 20 0 EGADMP Clc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001203920125 1370315011 /nfs/dbraw/zinc/31/50/11/1370315011.db2.gz VEXUQWWRFSUEBZ-UHFFFAOYSA-N 2 1 344.890 3.191 20 0 EGADMP C[NH+](C)CCN1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC001203946493 1370324762 /nfs/dbraw/zinc/32/47/62/1370324762.db2.gz UGYHJXIOJFDCQX-UHFFFAOYSA-N 2 1 339.483 3.158 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3c[nH]c4ccccc34)C2)C1 ZINC001204042314 1370357438 /nfs/dbraw/zinc/35/74/38/1370357438.db2.gz OWOVKVZKKUIRKW-NRFANRHFSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3c[nH]c4ccccc34)C2)C1 ZINC001204042314 1370357441 /nfs/dbraw/zinc/35/74/41/1370357441.db2.gz OWOVKVZKKUIRKW-NRFANRHFSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3c[nH]c4ccccc34)C2)C1 ZINC001204042314 1370357446 /nfs/dbraw/zinc/35/74/46/1370357446.db2.gz OWOVKVZKKUIRKW-NRFANRHFSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3c[nH]c4ccccc34)C2)C1 ZINC001204042314 1370357449 /nfs/dbraw/zinc/35/74/49/1370357449.db2.gz OWOVKVZKKUIRKW-NRFANRHFSA-N 2 1 341.499 3.491 20 0 EGADMP CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)CC1CC[NH+](C)CC1 ZINC001204235774 1370418082 /nfs/dbraw/zinc/41/80/82/1370418082.db2.gz CVCZXRUVRYBTRV-UHFFFAOYSA-N 2 1 337.895 3.332 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)cc1C ZINC001204352452 1370451039 /nfs/dbraw/zinc/45/10/39/1370451039.db2.gz RXEQUMSQRYZBMU-FGZHOGPDSA-N 2 1 342.527 3.484 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1C ZINC001204352452 1370451044 /nfs/dbraw/zinc/45/10/44/1370451044.db2.gz RXEQUMSQRYZBMU-FGZHOGPDSA-N 2 1 342.527 3.484 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1C ZINC001204352452 1370451046 /nfs/dbraw/zinc/45/10/46/1370451046.db2.gz RXEQUMSQRYZBMU-FGZHOGPDSA-N 2 1 342.527 3.484 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5c(c4)CCO5)C[C@@H]3C2)cc1 ZINC001204489801 1370490245 /nfs/dbraw/zinc/49/02/45/1370490245.db2.gz NQOOIZGHRGNGER-VXKWHMMOSA-N 2 1 348.490 3.494 20 0 EGADMP Cc1cc(C)cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001204521513 1370502197 /nfs/dbraw/zinc/50/21/97/1370502197.db2.gz GLCBHKBQLHIEOA-UHFFFAOYSA-N 2 1 338.499 3.154 20 0 EGADMP Cc1ccc(N(C)c2ccc(C[N@@H+]3CCO[C@@H](CC[NH3+])C3)cc2)cc1 ZINC001204757561 1370568931 /nfs/dbraw/zinc/56/89/31/1370568931.db2.gz ZWRHNZGNKZOMPQ-NRFANRHFSA-N 2 1 339.483 3.313 20 0 EGADMP Cc1ccc(N(C)c2ccc(C[N@H+]3CCO[C@@H](CC[NH3+])C3)cc2)cc1 ZINC001204757561 1370568936 /nfs/dbraw/zinc/56/89/36/1370568936.db2.gz ZWRHNZGNKZOMPQ-NRFANRHFSA-N 2 1 339.483 3.313 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C[C@@H]([NH3+])c1ccccc1 ZINC001204897300 1370599268 /nfs/dbraw/zinc/59/92/68/1370599268.db2.gz WEUITJYOWGHUJA-OXQOHEQNSA-N 2 1 327.447 3.032 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C[C@@H]([NH3+])c1ccccc1 ZINC001204897300 1370599269 /nfs/dbraw/zinc/59/92/69/1370599269.db2.gz WEUITJYOWGHUJA-OXQOHEQNSA-N 2 1 327.447 3.032 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115630225 1370623171 /nfs/dbraw/zinc/62/31/71/1370623171.db2.gz FUROGNFJAUCFIR-UHFFFAOYSA-N 2 1 346.519 3.181 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(OC)cc(OC)c3ccccc32)C1 ZINC001205015373 1370628694 /nfs/dbraw/zinc/62/86/94/1370628694.db2.gz CGMYKQZRSFKSKJ-OAHLLOKOSA-N 2 1 328.456 3.288 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(OC)cc(OC)c3ccccc32)C1 ZINC001205015373 1370628703 /nfs/dbraw/zinc/62/87/03/1370628703.db2.gz CGMYKQZRSFKSKJ-OAHLLOKOSA-N 2 1 328.456 3.288 20 0 EGADMP Cn1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c2cc(Br)ccc21 ZINC001205102509 1370651071 /nfs/dbraw/zinc/65/10/71/1370651071.db2.gz SLOBULRWRAZGRM-CQSZACIVSA-N 2 1 336.277 3.254 20 0 EGADMP Cn1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c2cc(Br)ccc21 ZINC001205102509 1370651073 /nfs/dbraw/zinc/65/10/73/1370651073.db2.gz SLOBULRWRAZGRM-CQSZACIVSA-N 2 1 336.277 3.254 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCCCC1 ZINC001115688362 1370671651 /nfs/dbraw/zinc/67/16/51/1370671651.db2.gz ZBQFLPWGXXIHDA-SFHVURJKSA-N 2 1 337.552 3.317 20 0 EGADMP C[NH+](C)CCCOc1ccc(-c2ccc(C[N@@H+](C)C3CC3)cn2)cn1 ZINC001205217336 1370683793 /nfs/dbraw/zinc/68/37/93/1370683793.db2.gz BTXMVTXWSDWUQM-UHFFFAOYSA-N 2 1 340.471 3.068 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2c(F)cccc2Oc2ccccc2)CC1 ZINC001205241218 1370692044 /nfs/dbraw/zinc/69/20/44/1370692044.db2.gz RTFFZJUYDUAJQQ-HXUWFJFHSA-N 2 1 344.430 3.294 20 0 EGADMP Cc1cccc(-c2ccc(C[N@H+]3CCC[C@](O)(C[NH3+])CC3)cn2)c1C ZINC001205248388 1370694396 /nfs/dbraw/zinc/69/43/96/1370694396.db2.gz OXOBGQNXIDAMLC-OAQYLSRUSA-N 2 1 339.483 3.041 20 0 EGADMP COc1ccc(-c2cccc(C[N@H+]3CCC[C@@](C)([NH3+])CC3)n2)cc1 ZINC001205273693 1370703411 /nfs/dbraw/zinc/70/34/11/1370703411.db2.gz OSFORJSIFGLGFY-HXUWFJFHSA-N 2 1 325.456 3.461 20 0 EGADMP CCOC(=O)c1ccc2c(C[N@H+]3CCC[C@@](C)([NH3+])CC3)c[nH]c2c1 ZINC001205296855 1370711038 /nfs/dbraw/zinc/71/10/38/1370711038.db2.gz VDFBNGRDQVMNFN-LJQANCHMSA-N 2 1 329.444 3.048 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115730252 1370713399 /nfs/dbraw/zinc/71/33/99/1370713399.db2.gz GVLVTFFBHRBEES-MJGOQNOKSA-N 2 1 349.563 3.173 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC1CCCC1 ZINC001205303447 1370713658 /nfs/dbraw/zinc/71/36/58/1370713658.db2.gz FSKXOBMBYQZFEG-WBVHZDCISA-N 2 1 332.488 3.433 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc3cc(Br)ccc3[nH]2)C[C@@H]1C[NH3+] ZINC001205303972 1370714449 /nfs/dbraw/zinc/71/44/49/1370714449.db2.gz MAZNXFOTWHLVCH-AAEUAGOBSA-N 2 1 336.277 3.347 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc2c1NC(C)(C)C=C2 ZINC001205317716 1370720137 /nfs/dbraw/zinc/72/01/37/1370720137.db2.gz PPYUFQJOFHTQEP-PBHICJAKSA-N 2 1 329.488 3.329 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001187299278 1388091095 /nfs/dbraw/zinc/09/10/95/1388091095.db2.gz YXNLNLQZXYFIMA-HXUWFJFHSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001187298485 1388091125 /nfs/dbraw/zinc/09/11/25/1388091125.db2.gz GBQJHKOLTYORPQ-RVPHRTOXSA-N 2 1 343.515 3.012 20 0 EGADMP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001115768845 1370753210 /nfs/dbraw/zinc/75/32/10/1370753210.db2.gz JXFOLRLVXCBTCX-OALUTQOASA-N 2 1 347.547 3.212 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205518779 1370778372 /nfs/dbraw/zinc/77/83/72/1370778372.db2.gz KNYJHQCHATWBCE-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001205519070 1370778463 /nfs/dbraw/zinc/77/84/63/1370778463.db2.gz UIXODRSGJGRNNU-LOKQZNEXSA-N 2 1 347.547 3.188 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)no2)cc1 ZINC001205546022 1370787738 /nfs/dbraw/zinc/78/77/38/1370787738.db2.gz OZCFQMYDBNRSLZ-SFHVURJKSA-N 2 1 333.407 3.003 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc1OC(=O)C(C)C ZINC001205627391 1370817497 /nfs/dbraw/zinc/81/74/97/1370817497.db2.gz PCBRJOCHVABUNH-RDJZCZTQSA-N 2 1 348.487 3.063 20 0 EGADMP CC(C)Oc1ncc(Cl)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205635423 1370820693 /nfs/dbraw/zinc/82/06/93/1370820693.db2.gz AIDHXBYJNBACNR-KGLIPLIRSA-N 2 1 325.884 3.329 20 0 EGADMP CC(C)Oc1ncc(Cl)cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205635422 1370820815 /nfs/dbraw/zinc/82/08/15/1370820815.db2.gz AIDHXBYJNBACNR-KBPBESRZSA-N 2 1 325.884 3.329 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(F)c(F)c1Cl ZINC001205665426 1370835184 /nfs/dbraw/zinc/83/51/84/1370835184.db2.gz RFNVZCIRMTUVMJ-MNOVXSKESA-N 2 1 332.822 3.434 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(F)c(F)c1Cl ZINC001205665426 1370835187 /nfs/dbraw/zinc/83/51/87/1370835187.db2.gz RFNVZCIRMTUVMJ-MNOVXSKESA-N 2 1 332.822 3.434 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205916164 1370909358 /nfs/dbraw/zinc/90/93/58/1370909358.db2.gz SFTOCAXSEUVAAS-GJZGRUSLSA-N 2 1 343.471 3.212 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205916164 1370909363 /nfs/dbraw/zinc/90/93/63/1370909363.db2.gz SFTOCAXSEUVAAS-GJZGRUSLSA-N 2 1 343.471 3.212 20 0 EGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001116445539 1370913699 /nfs/dbraw/zinc/91/36/99/1370913699.db2.gz UDFYGJNLHZTJQC-PZJWPPBQSA-N 2 1 344.499 3.162 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001116449760 1370915336 /nfs/dbraw/zinc/91/53/36/1370915336.db2.gz STGXWKVDMYBMEB-DLBZAZTESA-N 2 1 348.560 3.358 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC001116449760 1370915338 /nfs/dbraw/zinc/91/53/38/1370915338.db2.gz STGXWKVDMYBMEB-DLBZAZTESA-N 2 1 348.560 3.358 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC001116449760 1370915342 /nfs/dbraw/zinc/91/53/42/1370915342.db2.gz STGXWKVDMYBMEB-DLBZAZTESA-N 2 1 348.560 3.358 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206004685 1370935727 /nfs/dbraw/zinc/93/57/27/1370935727.db2.gz ULMKGEXPZQDMGS-OLZOCXBDSA-N 2 1 346.393 3.401 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2c(Br)ccc(O)c2F)CCC[C@H]1C[NH3+] ZINC001206025678 1370942323 /nfs/dbraw/zinc/94/23/23/1370942323.db2.gz OXYJJAMLSPKWRO-MNOVXSKESA-N 2 1 345.256 3.101 20 0 EGADMP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001206031210 1370944282 /nfs/dbraw/zinc/94/42/82/1370944282.db2.gz QAIVPKWGFRXGCB-AQIYZVDXSA-N 2 1 349.563 3.291 20 0 EGADMP [NH3+][C@H]1CC[N@H+](Cc2cc3ccc(Br)cc3[nH]2)CC[C@H]1F ZINC001206175667 1370981202 /nfs/dbraw/zinc/98/12/02/1370981202.db2.gz WZZZCQLUKDJGBR-KGLIPLIRSA-N 2 1 340.240 3.192 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](Cc2cc3ccc(Br)cc3[nH]2)CC[C@H]1F ZINC001206175667 1370981207 /nfs/dbraw/zinc/98/12/07/1370981207.db2.gz WZZZCQLUKDJGBR-KGLIPLIRSA-N 2 1 340.240 3.192 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC001206297640 1371015208 /nfs/dbraw/zinc/01/52/08/1371015208.db2.gz ZBNCWKZFBNOAAZ-RTWAWAEBSA-N 2 1 329.532 3.492 20 0 EGADMP Cc1cnc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1Br ZINC001206311781 1371017666 /nfs/dbraw/zinc/01/76/66/1371017666.db2.gz UWRSTGDGPOJNDY-OAHLLOKOSA-N 2 1 326.282 3.103 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2cnc(Br)cc2Cl)CC1 ZINC001206310913 1371018075 /nfs/dbraw/zinc/01/80/75/1371018075.db2.gz FHKKIUGUWOHRMA-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cnc(Br)cc2Cl)CC1 ZINC001206310913 1371018079 /nfs/dbraw/zinc/01/80/79/1371018079.db2.gz FHKKIUGUWOHRMA-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccnc(Br)c2Cl)CC1 ZINC001206326832 1371023140 /nfs/dbraw/zinc/02/31/40/1371023140.db2.gz PNVSWRULEWVJMO-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccnc(Br)c2Cl)CC1 ZINC001206326832 1371023145 /nfs/dbraw/zinc/02/31/45/1371023145.db2.gz PNVSWRULEWVJMO-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP CC[C@H](C)C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206481778 1371068759 /nfs/dbraw/zinc/06/87/59/1371068759.db2.gz KXJXNYXGGBORTL-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@@H+](Cc1cc(-c2ccccc2)nn1C)[C@@H]1CCC[NH2+]CC1 ZINC001206589386 1371102123 /nfs/dbraw/zinc/10/21/23/1371102123.db2.gz GRKIAJBARVJEKM-GOSISDBHSA-N 2 1 326.488 3.440 20 0 EGADMP CC(C)[N@@H+](Cc1ccc(-c2ccn(C)n2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC001206607178 1371107731 /nfs/dbraw/zinc/10/77/31/1371107731.db2.gz XABUAGOCGMAQOR-LJQANCHMSA-N 2 1 326.488 3.440 20 0 EGADMP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC001206721410 1371144736 /nfs/dbraw/zinc/14/47/36/1371144736.db2.gz AXHQMQAVISSYFS-GOSISDBHSA-N 2 1 336.479 3.466 20 0 EGADMP C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206721410 1371144738 /nfs/dbraw/zinc/14/47/38/1371144738.db2.gz AXHQMQAVISSYFS-GOSISDBHSA-N 2 1 336.479 3.466 20 0 EGADMP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206721410 1371144741 /nfs/dbraw/zinc/14/47/41/1371144741.db2.gz AXHQMQAVISSYFS-GOSISDBHSA-N 2 1 336.479 3.466 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c2c(OC)cccc12 ZINC001206767739 1371158183 /nfs/dbraw/zinc/15/81/83/1371158183.db2.gz DXAOGIIGECRYPS-GJZGRUSLSA-N 2 1 328.456 3.416 20 0 EGADMP COc1ccc(-c2cccc(C[N@H+]3C[C@H](C[NH3+])CC[C@@H]3C)n2)cc1 ZINC001206770090 1371159725 /nfs/dbraw/zinc/15/97/25/1371159725.db2.gz QPXBJSZWGHAOET-HOTGVXAUSA-N 2 1 325.456 3.316 20 0 EGADMP Fc1cnccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001206786278 1371166119 /nfs/dbraw/zinc/16/61/19/1371166119.db2.gz KKDFJJKBVCXAJM-UHFFFAOYSA-N 2 1 340.446 3.104 20 0 EGADMP Cc1ncc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)n1C ZINC001206793481 1371169251 /nfs/dbraw/zinc/16/92/51/1371169251.db2.gz YMRPTBYCMGTQFR-LJQANCHMSA-N 2 1 342.487 3.198 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001206794077 1371169602 /nfs/dbraw/zinc/16/96/02/1371169602.db2.gz HZHRDJWJEXYLOG-GOSISDBHSA-N 2 1 345.531 3.226 20 0 EGADMP [NH3+][C@H](C(=O)Nc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1F ZINC001118506820 1371190787 /nfs/dbraw/zinc/19/07/87/1371190787.db2.gz PQSRVXIOESDCQF-SFHVURJKSA-N 2 1 345.393 3.199 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]CCC3CCCCC3)CC2)C1 ZINC001206872956 1371199268 /nfs/dbraw/zinc/19/92/68/1371199268.db2.gz ZSOWODIXTVRWAB-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP CCC/C=C/CC[NH2+]CC1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001206889445 1371209488 /nfs/dbraw/zinc/20/94/88/1371209488.db2.gz RPCREOVLUIUFCP-BQYQJAHWSA-N 2 1 337.552 3.293 20 0 EGADMP c1[nH+]c(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n2ccccc12 ZINC001207053999 1371279057 /nfs/dbraw/zinc/27/90/57/1371279057.db2.gz CITMXZPUZPZCEU-UYAOXDASSA-N 2 1 332.451 3.041 20 0 EGADMP c1[nH+]c(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n2ccccc12 ZINC001207053999 1371279059 /nfs/dbraw/zinc/27/90/59/1371279059.db2.gz CITMXZPUZPZCEU-UYAOXDASSA-N 2 1 332.451 3.041 20 0 EGADMP Cc1cccc(N2C[C@@]3(CC[N@H+](CC(C)(C)C[NH+](C)C)C3)CC2=O)c1 ZINC001207281454 1371348277 /nfs/dbraw/zinc/34/82/77/1371348277.db2.gz DMUABKSCXMTCGN-NRFANRHFSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001207284235 1371349983 /nfs/dbraw/zinc/34/99/83/1371349983.db2.gz MGLVGVCTDDBXNZ-LJQANCHMSA-N 2 1 341.540 3.201 20 0 EGADMP Cc1ccc(N2C[C@@]3(CC[N@H+](CC(C)(C)C[NH+](C)C)C3)CC2=O)cc1 ZINC001207282994 1371350419 /nfs/dbraw/zinc/35/04/19/1371350419.db2.gz ZXPURFQQEYAMAW-NRFANRHFSA-N 2 1 343.515 3.012 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001207336938 1371364367 /nfs/dbraw/zinc/36/43/67/1371364367.db2.gz MVJKFJQCKFSWFC-WUYYXPQKSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001207336938 1371364372 /nfs/dbraw/zinc/36/43/72/1371364372.db2.gz MVJKFJQCKFSWFC-WUYYXPQKSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001207336938 1371364376 /nfs/dbraw/zinc/36/43/76/1371364376.db2.gz MVJKFJQCKFSWFC-WUYYXPQKSA-N 2 1 335.536 3.044 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001207399179 1371383823 /nfs/dbraw/zinc/38/38/23/1371383823.db2.gz GJCCSPSZRAQSNS-LJQANCHMSA-N 2 1 339.524 3.050 20 0 EGADMP CC(C)(C)OC(=O)NCC[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC001207442028 1371396804 /nfs/dbraw/zinc/39/68/04/1371396804.db2.gz QNMGCRDYRISCHD-UHFFFAOYSA-N 2 1 347.503 3.013 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001207481732 1371409663 /nfs/dbraw/zinc/40/96/63/1371409663.db2.gz FJYHMVLLMIRGJG-CTNGQTDRSA-N 2 1 343.515 3.294 20 0 EGADMP Cc1csc([C@H]2C[C@@H]3CC[N@H+](CCC4CC[NH+](C)CC4)C[C@H]3O2)n1 ZINC001207483245 1371410182 /nfs/dbraw/zinc/41/01/82/1371410182.db2.gz VEYZTBGUHUXJRT-RCCFBDPRSA-N 2 1 349.544 3.335 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001207488360 1371411825 /nfs/dbraw/zinc/41/18/25/1371411825.db2.gz JMIRZALBKWDEFY-FQEVSTJZSA-N 2 1 344.499 3.174 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545043 1371431304 /nfs/dbraw/zinc/43/13/04/1371431304.db2.gz BTTCUWPOYBAABR-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)C[C@@H]2C1 ZINC001119988984 1371443704 /nfs/dbraw/zinc/44/37/04/1371443704.db2.gz MOWFPISXZTUUCL-OWCLPIDISA-N 2 1 330.501 3.096 20 0 EGADMP CCCCC[NH2+]C1(CNC(=O)CC[N@@H+](C)CCC)CCCCC1 ZINC001120041341 1371466663 /nfs/dbraw/zinc/46/66/63/1371466663.db2.gz PMFSJGPMMSCOFK-UHFFFAOYSA-N 2 1 325.541 3.317 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CCCC(C)C)CCCCC1 ZINC001120046130 1371468057 /nfs/dbraw/zinc/46/80/57/1371468057.db2.gz LTKVYEGQUDFTGW-UHFFFAOYSA-N 2 1 325.541 3.173 20 0 EGADMP CC(C)c1cccc(NC(=O)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001326277117 1388140029 /nfs/dbraw/zinc/14/00/29/1388140029.db2.gz JDZAJTUPWZHZOY-UHFFFAOYSA-N 2 1 329.488 3.214 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)c2ccccc2C)C[C@H]1C ZINC001207758032 1371495763 /nfs/dbraw/zinc/49/57/63/1371495763.db2.gz SCDRQRPJRFGVRG-ZHALLVOQSA-N 2 1 345.531 3.223 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CC)C1 ZINC001120429805 1371572904 /nfs/dbraw/zinc/57/29/04/1371572904.db2.gz BLNNWQCELWWUIQ-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC)C1 ZINC001120429805 1371572909 /nfs/dbraw/zinc/57/29/09/1371572909.db2.gz BLNNWQCELWWUIQ-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC)C1 ZINC001120429805 1371572916 /nfs/dbraw/zinc/57/29/16/1371572916.db2.gz BLNNWQCELWWUIQ-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120438865 1371577065 /nfs/dbraw/zinc/57/70/65/1371577065.db2.gz CPSFIVROQHXZBF-NHQAVIFJSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120438865 1371577069 /nfs/dbraw/zinc/57/70/69/1371577069.db2.gz CPSFIVROQHXZBF-NHQAVIFJSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001120438865 1371577073 /nfs/dbraw/zinc/57/70/73/1371577073.db2.gz CPSFIVROQHXZBF-NHQAVIFJSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120459538 1371583503 /nfs/dbraw/zinc/58/35/03/1371583503.db2.gz NDACKADVZKAQGR-FMEUAVTJSA-N 2 1 347.547 3.142 20 0 EGADMP CCCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120463288 1371584942 /nfs/dbraw/zinc/58/49/42/1371584942.db2.gz YFNBYLORARFXGL-WOJBJXKFSA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CCCC(C)(C)C)C2)CC[N@H+]1C ZINC001208073228 1371588261 /nfs/dbraw/zinc/58/82/61/1371588261.db2.gz FQVTYJYMKMUXHK-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+]1CCC(C)(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001208109545 1371597863 /nfs/dbraw/zinc/59/78/63/1371597863.db2.gz OGBXVZLGVCPPDQ-UHFFFAOYSA-N 3 1 341.543 3.241 20 0 EGADMP C[NH+]1CCC(C)(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001208109545 1371597869 /nfs/dbraw/zinc/59/78/69/1371597869.db2.gz OGBXVZLGVCPPDQ-UHFFFAOYSA-N 2 1 341.543 3.241 20 0 EGADMP CC1=C[C@H](C)[C@@H](C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001208166760 1371616056 /nfs/dbraw/zinc/61/60/56/1371616056.db2.gz BZSBOBCRSXPUOU-RBUKOAKNSA-N 2 1 342.531 3.329 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208279356 1371695658 /nfs/dbraw/zinc/69/56/58/1371695658.db2.gz ODXPHYGHKQMDAS-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208279301 1371695797 /nfs/dbraw/zinc/69/57/97/1371695797.db2.gz MXXCGMMAZIWATB-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208363368 1371735923 /nfs/dbraw/zinc/73/59/23/1371735923.db2.gz YEDKUWRIHGGELF-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422692 1371762622 /nfs/dbraw/zinc/76/26/22/1371762622.db2.gz VOTPGTPAAYONOO-JFIYKMOQSA-N 2 1 349.519 3.074 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422692 1371762626 /nfs/dbraw/zinc/76/26/26/1371762626.db2.gz VOTPGTPAAYONOO-JFIYKMOQSA-N 2 1 349.519 3.074 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422693 1371762807 /nfs/dbraw/zinc/76/28/07/1371762807.db2.gz VOTPGTPAAYONOO-LZLYRXPVSA-N 2 1 349.519 3.074 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422693 1371762810 /nfs/dbraw/zinc/76/28/10/1371762810.db2.gz VOTPGTPAAYONOO-LZLYRXPVSA-N 2 1 349.519 3.074 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001208453349 1371771564 /nfs/dbraw/zinc/77/15/64/1371771564.db2.gz FJXLTAAKAUBLTE-CWIMXHLESA-N 2 1 343.515 3.011 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001208454071 1371773165 /nfs/dbraw/zinc/77/31/65/1371773165.db2.gz SDEOUPMJOSJMDZ-IBGZPJMESA-N 2 1 345.531 3.114 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCCN1Cc1ccccc1 ZINC001208588786 1371830134 /nfs/dbraw/zinc/83/01/34/1371830134.db2.gz LJSZFLWAFXWOIP-OAQYLSRUSA-N 2 1 329.532 3.315 20 0 EGADMP C[N@@H+]1C[C@H]2[C@H](C1)CCCN2C[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001208588917 1371830343 /nfs/dbraw/zinc/83/03/43/1371830343.db2.gz MXYOKCLZDZDZOC-ACRUOGEOSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1C[C@H]2[C@H](C1)CCCN2C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001208588917 1371830348 /nfs/dbraw/zinc/83/03/48/1371830348.db2.gz MXYOKCLZDZDZOC-ACRUOGEOSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1C[C@H]2[C@H](C1)CCCN2C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208588917 1371830352 /nfs/dbraw/zinc/83/03/52/1371830352.db2.gz MXYOKCLZDZDZOC-ACRUOGEOSA-N 2 1 327.516 3.067 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)C1 ZINC001208610305 1371839469 /nfs/dbraw/zinc/83/94/69/1371839469.db2.gz PHAGUTCWIDVCCT-HBMCJLEFSA-N 2 1 343.515 3.042 20 0 EGADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)C1 ZINC001208610305 1371839472 /nfs/dbraw/zinc/83/94/72/1371839472.db2.gz PHAGUTCWIDVCCT-HBMCJLEFSA-N 2 1 343.515 3.042 20 0 EGADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)C1 ZINC001208610305 1371839479 /nfs/dbraw/zinc/83/94/79/1371839479.db2.gz PHAGUTCWIDVCCT-HBMCJLEFSA-N 2 1 343.515 3.042 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC001121117097 1371857340 /nfs/dbraw/zinc/85/73/40/1371857340.db2.gz DVNNXDIQODWYDE-CGAYHSHTSA-N 2 1 347.547 3.068 20 0 EGADMP C[N@H+](C1CCOCC1)C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC001208742435 1371881638 /nfs/dbraw/zinc/88/16/38/1371881638.db2.gz RFKOWMUBJZHOLX-UHFFFAOYSA-N 2 1 336.907 3.458 20 0 EGADMP C[N@@H+](C1CCOCC1)C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC001208742435 1371881641 /nfs/dbraw/zinc/88/16/41/1371881641.db2.gz RFKOWMUBJZHOLX-UHFFFAOYSA-N 2 1 336.907 3.458 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC(C)C)C2 ZINC001121193318 1371885459 /nfs/dbraw/zinc/88/54/59/1371885459.db2.gz AGKIXXHYQUYQBO-MBEFBZSESA-N 2 1 349.563 3.314 20 0 EGADMP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001121232585 1371902222 /nfs/dbraw/zinc/90/22/22/1371902222.db2.gz GCVXMPKSQCGTCB-IAAUGFHKSA-N 2 1 349.563 3.027 20 0 EGADMP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001121232592 1371902088 /nfs/dbraw/zinc/90/20/88/1371902088.db2.gz GCVXMPKSQCGTCB-YQTQZHKRSA-N 2 1 349.563 3.027 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2 ZINC001121260596 1371912606 /nfs/dbraw/zinc/91/26/06/1371912606.db2.gz GWGSKPYZOHPHKR-FCOWATRHSA-N 2 1 347.547 3.068 20 0 EGADMP Cc1noc([C@H]2CC[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001208940471 1371954416 /nfs/dbraw/zinc/95/44/16/1371954416.db2.gz RZYBYPXKXQQCOY-MOPGFXCFSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1noc([C@H]2CC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC001208940471 1371954419 /nfs/dbraw/zinc/95/44/19/1371954419.db2.gz RZYBYPXKXQQCOY-MOPGFXCFSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1noc([C@H]2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC001208940471 1371954424 /nfs/dbraw/zinc/95/44/24/1371954424.db2.gz RZYBYPXKXQQCOY-MOPGFXCFSA-N 2 1 340.471 3.080 20 0 EGADMP COC(=O)[C@@H]1C[C@H](C)C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939798 1371955263 /nfs/dbraw/zinc/95/52/63/1371955263.db2.gz JFEOHIWDQJHCGA-YSIASYRMSA-N 2 1 344.499 3.030 20 0 EGADMP COC(=O)[C@@H]1C[C@H](C)C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208939798 1371955264 /nfs/dbraw/zinc/95/52/64/1371955264.db2.gz JFEOHIWDQJHCGA-YSIASYRMSA-N 2 1 344.499 3.030 20 0 EGADMP COC(=O)[C@@H]1C[C@H](C)C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939798 1371955266 /nfs/dbraw/zinc/95/52/66/1371955266.db2.gz JFEOHIWDQJHCGA-YSIASYRMSA-N 2 1 344.499 3.030 20 0 EGADMP CCC[NH+]1C[C@@H]2CN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208942983 1371957146 /nfs/dbraw/zinc/95/71/46/1371957146.db2.gz KONPKYDKMQBROS-YPAWHYETSA-N 2 1 341.543 3.172 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC(c4ncccn4)CC3)C2)cc1 ZINC001208947223 1371958540 /nfs/dbraw/zinc/95/85/40/1371958540.db2.gz AAGHISSTLCMMTB-LJQANCHMSA-N 2 1 336.483 3.178 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CC[C@H](Oc4ccncc4)C3)C2)cc1 ZINC001208953494 1371960050 /nfs/dbraw/zinc/96/00/50/1371960050.db2.gz PXIDTPOZTDCOFH-CTNGQTDRSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CC[C@H](Oc4ccncc4)C3)C2)cc1 ZINC001208953494 1371960057 /nfs/dbraw/zinc/96/00/57/1371960057.db2.gz PXIDTPOZTDCOFH-CTNGQTDRSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CC[C@H](Oc4ccncc4)C3)C2)cc1 ZINC001208953494 1371960091 /nfs/dbraw/zinc/96/00/91/1371960091.db2.gz PXIDTPOZTDCOFH-CTNGQTDRSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC001208948944 1371961488 /nfs/dbraw/zinc/96/14/88/1371961488.db2.gz UELXZJHKENNSLU-NRFANRHFSA-N 2 1 335.495 3.331 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC001208948944 1371961489 /nfs/dbraw/zinc/96/14/89/1371961489.db2.gz UELXZJHKENNSLU-NRFANRHFSA-N 2 1 335.495 3.331 20 0 EGADMP C(C[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1CC1CCC2(CC1)OCCO2 ZINC001209103554 1371998740 /nfs/dbraw/zinc/99/87/40/1371998740.db2.gz YVABFZTZGHYHDY-IBGZPJMESA-N 2 1 336.520 3.260 20 0 EGADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C[C@@H]4C[C@H]4C)CC3)C2)cc1 ZINC001209411602 1372098668 /nfs/dbraw/zinc/09/86/68/1372098668.db2.gz CTVIIQXSKVFCAI-QUCCMNQESA-N 2 1 328.500 3.318 20 0 EGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc2c(cn1)OCCC2 ZINC001209511330 1372125697 /nfs/dbraw/zinc/12/56/97/1372125697.db2.gz RPUKQDQRDLPDKR-RBUKOAKNSA-N 2 1 329.488 3.245 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc2c(cn1)OCCC2 ZINC001209511330 1372125701 /nfs/dbraw/zinc/12/57/01/1372125701.db2.gz RPUKQDQRDLPDKR-RBUKOAKNSA-N 2 1 329.488 3.245 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cc2c(cn1)OCCC2 ZINC001209511330 1372125705 /nfs/dbraw/zinc/12/57/05/1372125705.db2.gz RPUKQDQRDLPDKR-RBUKOAKNSA-N 2 1 329.488 3.245 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc2c(cn1)OCCC2 ZINC001209511330 1372125709 /nfs/dbraw/zinc/12/57/09/1372125709.db2.gz RPUKQDQRDLPDKR-RBUKOAKNSA-N 2 1 329.488 3.245 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]C[C@H](C)CC(C)C)C2 ZINC001122023868 1372155161 /nfs/dbraw/zinc/15/51/61/1372155161.db2.gz SWEXQECGELAMCH-UFQJCFOOSA-N 2 1 337.552 3.027 20 0 EGADMP CC[NH+](CC)CCN1CC[NH+](Cc2cc3cc(Cl)ccc3[nH]2)CC1 ZINC001209718547 1372176739 /nfs/dbraw/zinc/17/67/39/1372176739.db2.gz OPBSMZZOTWIMPC-UHFFFAOYSA-N 2 1 348.922 3.281 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC1CCCCCC1)C2 ZINC001122248095 1372211649 /nfs/dbraw/zinc/21/16/49/1372211649.db2.gz FMUUHSVKEYALPL-UHFFFAOYSA-N 2 1 349.563 3.314 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001209957607 1372240999 /nfs/dbraw/zinc/24/09/99/1372240999.db2.gz CPVPJWGDBOOPDB-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)c2cc(C)ccc2C)C[C@H]1C ZINC001210040515 1372261449 /nfs/dbraw/zinc/26/14/49/1372261449.db2.gz JFZQDTQJJRKQTJ-QWFCFKBJSA-N 2 1 345.531 3.143 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cc(C)ccc2C)C[C@H]1C ZINC001210040515 1372261453 /nfs/dbraw/zinc/26/14/53/1372261453.db2.gz JFZQDTQJJRKQTJ-QWFCFKBJSA-N 2 1 345.531 3.143 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cc(C)ccc2C)C[C@H]1C ZINC001210040515 1372261457 /nfs/dbraw/zinc/26/14/57/1372261457.db2.gz JFZQDTQJJRKQTJ-QWFCFKBJSA-N 2 1 345.531 3.143 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001210132898 1372277471 /nfs/dbraw/zinc/27/74/71/1372277471.db2.gz JUCAKTLFPYBJHH-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001210132450 1372277594 /nfs/dbraw/zinc/27/75/94/1372277594.db2.gz BQIWMLDXUKSCEG-ZMBJWTFHSA-N 2 1 346.519 3.299 20 0 EGADMP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001210183750 1372290647 /nfs/dbraw/zinc/29/06/47/1372290647.db2.gz ROUDMNYDWIMEPN-QJSCKGPTSA-N 2 1 337.552 3.435 20 0 EGADMP CCn1nc(-c2ccccc2)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210263472 1372308892 /nfs/dbraw/zinc/30/88/92/1372308892.db2.gz AWIPZVJCAQXAIO-UHFFFAOYSA-N 2 1 348.454 3.118 20 0 EGADMP Cc1cnn(-c2ccccc2C)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210263929 1372309676 /nfs/dbraw/zinc/30/96/76/1372309676.db2.gz IXDNEEJFGHDHOX-UHFFFAOYSA-N 2 1 348.454 3.037 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001210433561 1372352869 /nfs/dbraw/zinc/35/28/69/1372352869.db2.gz SEWOMWWFCCUVMF-QWFCFKBJSA-N 2 1 345.531 3.224 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1)c1ccc(F)cc1 ZINC001210494819 1372365874 /nfs/dbraw/zinc/36/58/74/1372365874.db2.gz XRBLCMMCOVKFLF-RBUKOAKNSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)c2ccccc2F)C[C@H]1C ZINC001210499371 1372367332 /nfs/dbraw/zinc/36/73/32/1372367332.db2.gz XIAJXMGOIIWKBV-GPMSIDNRSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccccc2F)C[C@H]1C ZINC001210499371 1372367336 /nfs/dbraw/zinc/36/73/36/1372367336.db2.gz XIAJXMGOIIWKBV-GPMSIDNRSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccccc2F)C[C@H]1C ZINC001210499371 1372367342 /nfs/dbraw/zinc/36/73/42/1372367342.db2.gz XIAJXMGOIIWKBV-GPMSIDNRSA-N 2 1 349.494 3.055 20 0 EGADMP CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210642710 1372398010 /nfs/dbraw/zinc/39/80/10/1372398010.db2.gz GKPITVAKBLZYLC-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001210811739 1372431529 /nfs/dbraw/zinc/43/15/29/1372431529.db2.gz QIMMWBLQQDCOMB-OALUTQOASA-N 2 1 345.531 3.287 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211309354 1372526352 /nfs/dbraw/zinc/52/63/52/1372526352.db2.gz BDPQIXKEXGLGHB-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+]2C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001211371792 1372542791 /nfs/dbraw/zinc/54/27/91/1372542791.db2.gz WRTUMPFIVKWEBQ-WSTZPKSXSA-N 2 1 345.531 3.141 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C2)c1 ZINC001211371792 1372542799 /nfs/dbraw/zinc/54/27/99/1372542799.db2.gz WRTUMPFIVKWEBQ-WSTZPKSXSA-N 2 1 345.531 3.141 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C2)c1 ZINC001211371792 1372542803 /nfs/dbraw/zinc/54/28/03/1372542803.db2.gz WRTUMPFIVKWEBQ-WSTZPKSXSA-N 2 1 345.531 3.141 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC001127344135 1373117260 /nfs/dbraw/zinc/11/72/60/1373117260.db2.gz GKRCCOBUDGDRET-IEBWSBKVSA-N 2 1 343.515 3.108 20 0 EGADMP CCC/C=C/CC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357152 1373118580 /nfs/dbraw/zinc/11/85/80/1373118580.db2.gz SXFUHNKMDPCHLQ-WRFKIARRSA-N 2 1 335.536 3.093 20 0 EGADMP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855230 1373130330 /nfs/dbraw/zinc/13/03/30/1373130330.db2.gz ANWHATZOAUSWPA-RLLQIKCJSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)c2ccc(C(C)C)cc2)CC[N@H+]1C ZINC001127701476 1373164400 /nfs/dbraw/zinc/16/44/00/1373164400.db2.gz PUSQWQDRDDUPGR-LSTHTHJFSA-N 2 1 345.531 3.307 20 0 EGADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326584288 1388248123 /nfs/dbraw/zinc/24/81/23/1388248123.db2.gz VBKHULBGKHVTSN-ROUUACIJSA-N 2 1 343.515 3.026 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001188158877 1388253433 /nfs/dbraw/zinc/25/34/33/1388253433.db2.gz YDUOVCVIERVDAD-FXAWDEMLSA-N 2 1 345.531 3.402 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001129422107 1373382277 /nfs/dbraw/zinc/38/22/77/1373382277.db2.gz FROBOQWPYHUXCX-IEBWSBKVSA-N 2 1 331.504 3.025 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC001129429503 1373383284 /nfs/dbraw/zinc/38/32/84/1373383284.db2.gz HGKAUMSBBPCYAZ-YLJYHZDGSA-N 2 1 343.515 3.169 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)c1ccc2ccccc2c1 ZINC001129535414 1373394485 /nfs/dbraw/zinc/39/44/85/1373394485.db2.gz QBTAUANRODMXDQ-INIZCTEOSA-N 2 1 339.483 3.091 20 0 EGADMP c1ccc(C[N@@H+]2CCO[C@H](COCCCCC3CC[NH2+]CC3)C2)cc1 ZINC001217840762 1373507000 /nfs/dbraw/zinc/50/70/00/1373507000.db2.gz PZIAABSOBMYENI-NRFANRHFSA-N 2 1 346.515 3.074 20 0 EGADMP c1ccc(C[N@H+]2CCO[C@H](COCCCCC3CC[NH2+]CC3)C2)cc1 ZINC001217840762 1373507006 /nfs/dbraw/zinc/50/70/06/1373507006.db2.gz PZIAABSOBMYENI-NRFANRHFSA-N 2 1 346.515 3.074 20 0 EGADMP C[C@H]1C[C@@H](Oc2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC[NH2+]1 ZINC001218051300 1373547914 /nfs/dbraw/zinc/54/79/14/1373547914.db2.gz XPJKCMXIJKCRBU-LPHOPBHVSA-N 2 1 337.467 3.159 20 0 EGADMP C[C@H]1C[C@@H](Oc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC[NH2+]1 ZINC001218051300 1373547918 /nfs/dbraw/zinc/54/79/18/1373547918.db2.gz XPJKCMXIJKCRBU-LPHOPBHVSA-N 2 1 337.467 3.159 20 0 EGADMP c1ccc(C[N@@H+]2CCc3ccc(O[C@H]4C[C@H]5CC[C@@H](C4)[NH2+]5)nc3C2)cc1 ZINC001218186093 1373574159 /nfs/dbraw/zinc/57/41/59/1373574159.db2.gz LQFXPCCOXMZNCC-PMOLBWCYSA-N 2 1 349.478 3.302 20 0 EGADMP c1ccc(C[N@H+]2CCc3ccc(O[C@H]4C[C@H]5CC[C@@H](C4)[NH2+]5)nc3C2)cc1 ZINC001218186093 1373574162 /nfs/dbraw/zinc/57/41/62/1373574162.db2.gz LQFXPCCOXMZNCC-PMOLBWCYSA-N 2 1 349.478 3.302 20 0 EGADMP CC[C@]1(c2cccc(OC[C@H]3C[NH2+]CCCO3)c2)CCCC[N@@H+](C)C1 ZINC001218301182 1373591087 /nfs/dbraw/zinc/59/10/87/1373591087.db2.gz ZAYFGOXDUIHNGU-RTWAWAEBSA-N 2 1 346.515 3.207 20 0 EGADMP [NH3+]CCc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc1 ZINC001218390320 1373605407 /nfs/dbraw/zinc/60/54/07/1373605407.db2.gz ITWIRAWOTGHEJP-LJQANCHMSA-N 2 1 328.431 3.370 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848292 1373797649 /nfs/dbraw/zinc/79/76/49/1373797649.db2.gz IMDSOTGWUCDQHE-UIJPIBLASA-N 2 1 347.547 3.140 20 0 EGADMP Cc1c(F)cc(Br)c(C[NH+]2CCC3(C[NH2+]C3)CC2)c1F ZINC001222207698 1373820405 /nfs/dbraw/zinc/82/04/05/1373820405.db2.gz DLHIXGVCPHIAJD-UHFFFAOYSA-N 2 1 345.231 3.221 20 0 EGADMP CCC[C@@](C)([NH3+])C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001326687363 1388282982 /nfs/dbraw/zinc/28/29/82/1388282982.db2.gz GKZHJJBEMWKYAN-LJQANCHMSA-N 2 1 343.475 3.005 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC001131822904 1373824124 /nfs/dbraw/zinc/82/41/24/1373824124.db2.gz XNGKLYVYRAIIRJ-GOSISDBHSA-N 2 1 345.531 3.416 20 0 EGADMP Clc1ccc(-c2ccc(CN3CC[NH2+][C@H]4CC[NH2+]CC[C@@H]43)o2)cc1 ZINC001222497461 1373849540 /nfs/dbraw/zinc/84/95/40/1373849540.db2.gz KVBWWTMSSHMWLD-ROUUACIJSA-N 2 1 345.874 3.126 20 0 EGADMP O=C(NCC1([NH2+]CCC2CC2)CCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001326875189 1388334643 /nfs/dbraw/zinc/33/46/43/1388334643.db2.gz LOTDRFRSIOWCAK-IBGZPJMESA-N 2 1 347.547 3.212 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC[NH+](C[C@@H](F)CC)CC1 ZINC001224883538 1375082688 /nfs/dbraw/zinc/08/26/88/1375082688.db2.gz DEYRNHGZMZBAKC-SFHVURJKSA-N 2 1 343.531 3.075 20 0 EGADMP CC[N@H+]1CC[C@H](OC[C@@]2(C)C[NH+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152549 1375095947 /nfs/dbraw/zinc/09/59/47/1375095947.db2.gz VJZVEVKCFGDCNV-PZJWPPBQSA-N 2 1 346.515 3.167 20 0 EGADMP CC[NH+]1CC[C@H](OC[C@@]2(C)C[N@H+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152549 1375095954 /nfs/dbraw/zinc/09/59/54/1375095954.db2.gz VJZVEVKCFGDCNV-PZJWPPBQSA-N 2 1 346.515 3.167 20 0 EGADMP CC[NH+]1CC[C@H](OC[C@@]2(C)C[N@@H+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152549 1375095959 /nfs/dbraw/zinc/09/59/59/1375095959.db2.gz VJZVEVKCFGDCNV-PZJWPPBQSA-N 2 1 346.515 3.167 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCC1CCCC1 ZINC001132105176 1375149850 /nfs/dbraw/zinc/14/98/50/1375149850.db2.gz BXLQIRZYJNWNSL-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCC1CCCC1 ZINC001132105175 1375150408 /nfs/dbraw/zinc/15/04/08/1375150408.db2.gz BXLQIRZYJNWNSL-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188690171 1388361248 /nfs/dbraw/zinc/36/12/48/1388361248.db2.gz IKGIYMHBWISXDQ-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132152698 1375173377 /nfs/dbraw/zinc/17/33/77/1375173377.db2.gz HUFWLTOMZMQDCU-QAZIKRLUSA-N 2 1 337.552 3.432 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132152698 1375173380 /nfs/dbraw/zinc/17/33/80/1375173380.db2.gz HUFWLTOMZMQDCU-QAZIKRLUSA-N 2 1 337.552 3.432 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132152698 1375173384 /nfs/dbraw/zinc/17/33/84/1375173384.db2.gz HUFWLTOMZMQDCU-QAZIKRLUSA-N 2 1 337.552 3.432 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132211015 1375211525 /nfs/dbraw/zinc/21/15/25/1375211525.db2.gz KZACZZHGDLFKGI-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@H+]1CCC1CC1 ZINC001132212137 1375212321 /nfs/dbraw/zinc/21/23/21/1375212321.db2.gz UEWKIVHWRCRQAT-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001132264744 1375254668 /nfs/dbraw/zinc/25/46/68/1375254668.db2.gz BAHMCKDHRPDRJW-DOTOQJQBSA-N 2 1 335.492 3.114 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001132264744 1375254674 /nfs/dbraw/zinc/25/46/74/1375254674.db2.gz BAHMCKDHRPDRJW-DOTOQJQBSA-N 2 1 335.492 3.114 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@H+]1CC1=CCCCC1 ZINC001132311315 1375290643 /nfs/dbraw/zinc/29/06/43/1375290643.db2.gz SRILVZUORMDGBA-PKOBYXMFSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[NH+]1CC1=CCCCC1 ZINC001132311315 1375290651 /nfs/dbraw/zinc/29/06/51/1375290651.db2.gz SRILVZUORMDGBA-PKOBYXMFSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[NH+]1CC1=CCCCC1 ZINC001132311315 1375290654 /nfs/dbraw/zinc/29/06/54/1375290654.db2.gz SRILVZUORMDGBA-PKOBYXMFSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001226613516 1375292091 /nfs/dbraw/zinc/29/20/91/1375292091.db2.gz JTOMTKXXLYJTPL-RTLRUIJZSA-N 2 1 335.536 3.234 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335901 1375316319 /nfs/dbraw/zinc/31/63/19/1375316319.db2.gz WAJBIRKSWCLJNV-QZTJIDSGSA-N 2 1 346.519 3.332 20 0 EGADMP CC(C)=CC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335901 1375316325 /nfs/dbraw/zinc/31/63/25/1375316325.db2.gz WAJBIRKSWCLJNV-QZTJIDSGSA-N 2 1 346.519 3.332 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001226776093 1375331581 /nfs/dbraw/zinc/33/15/81/1375331581.db2.gz ZVVVBRQVCRODMF-KURKYZTESA-N 2 1 346.519 3.214 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC001226890093 1375353205 /nfs/dbraw/zinc/35/32/05/1375353205.db2.gz HWLHUQULSXYWPM-RCCFBDPRSA-N 2 1 349.544 3.140 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132432603 1375378246 /nfs/dbraw/zinc/37/82/46/1375378246.db2.gz FDLZSOUTMKIRLZ-ZWKOTPCHSA-N 2 1 325.541 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CCCCC2)C1 ZINC001132436371 1375381052 /nfs/dbraw/zinc/38/10/52/1375381052.db2.gz KWUZXQUIOXJTOQ-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCCCC2)C1 ZINC001132436371 1375381055 /nfs/dbraw/zinc/38/10/55/1375381055.db2.gz KWUZXQUIOXJTOQ-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CCCCC2)C1 ZINC001132436371 1375381058 /nfs/dbraw/zinc/38/10/58/1375381058.db2.gz KWUZXQUIOXJTOQ-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1C ZINC001327089653 1388375302 /nfs/dbraw/zinc/37/53/02/1388375302.db2.gz KZACZPZKVVKFCV-KRWDZBQOSA-N 2 1 329.488 3.096 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132518669 1375436651 /nfs/dbraw/zinc/43/66/51/1375436651.db2.gz MNZQNUDABBYEPG-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001132518669 1375436652 /nfs/dbraw/zinc/43/66/52/1375436652.db2.gz MNZQNUDABBYEPG-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001132518669 1375436653 /nfs/dbraw/zinc/43/66/53/1375436653.db2.gz MNZQNUDABBYEPG-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CCC(C)(C)C ZINC001132518951 1375437060 /nfs/dbraw/zinc/43/70/60/1375437060.db2.gz QLWOALSKIGSMSF-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]2C)cc1C ZINC001132519329 1375437424 /nfs/dbraw/zinc/43/74/24/1375437424.db2.gz WUYFXSCYOWOZRT-ICSRJNTNSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)cc1C ZINC001132519329 1375437427 /nfs/dbraw/zinc/43/74/27/1375437427.db2.gz WUYFXSCYOWOZRT-ICSRJNTNSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)cc1C ZINC001132519329 1375437432 /nfs/dbraw/zinc/43/74/32/1375437432.db2.gz WUYFXSCYOWOZRT-ICSRJNTNSA-N 2 1 345.531 3.113 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132522772 1375439438 /nfs/dbraw/zinc/43/94/38/1375439438.db2.gz SAWABBYIZFUCLW-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001132522772 1375439439 /nfs/dbraw/zinc/43/94/39/1375439439.db2.gz SAWABBYIZFUCLW-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001132522772 1375439441 /nfs/dbraw/zinc/43/94/41/1375439441.db2.gz SAWABBYIZFUCLW-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC1CC[NH+](CCCC2CCCC2)CC1 ZINC001227876252 1375486040 /nfs/dbraw/zinc/48/60/40/1375486040.db2.gz GATXTSPYTQBSRV-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CO[C@@H]1CC[N@@H+](CCOc2ccc3ccccc3c2C[NH+](C)C)C1 ZINC001228442653 1375573489 /nfs/dbraw/zinc/57/34/89/1375573489.db2.gz VLFMGZPPZCTSJY-QGZVFWFLSA-N 2 1 328.456 3.001 20 0 EGADMP C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001132889158 1375627646 /nfs/dbraw/zinc/62/76/46/1375627646.db2.gz XKOMLSDRKQTSQX-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132936671 1375656677 /nfs/dbraw/zinc/65/66/77/1375656677.db2.gz CXKWLPBMAAUZCC-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CC(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133122486 1375787596 /nfs/dbraw/zinc/78/75/96/1375787596.db2.gz RNJJPMGNFYNVJR-ROUUACIJSA-N 2 1 339.568 3.085 20 0 EGADMP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC)c1ccccc1 ZINC001229496331 1375846530 /nfs/dbraw/zinc/84/65/30/1375846530.db2.gz PRNYBXIQMLCUPF-VAMGGRTRSA-N 2 1 345.531 3.497 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C ZINC001229837888 1375900870 /nfs/dbraw/zinc/90/08/70/1375900870.db2.gz ZPHBHEXMUCXZBG-WOJBJXKFSA-N 2 1 345.531 3.244 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc(C)c1 ZINC001229877753 1375910215 /nfs/dbraw/zinc/91/02/15/1375910215.db2.gz ZTEDQMXNMOQPES-DFQSSKMNSA-N 2 1 345.531 3.415 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC001230107480 1375943427 /nfs/dbraw/zinc/94/34/27/1375943427.db2.gz HCRIXPIRZAWBSU-MRXNPFEDSA-N 2 1 349.494 3.199 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@H+]2CCC2CCCC2)CC1 ZINC001230598051 1376092383 /nfs/dbraw/zinc/09/23/83/1376092383.db2.gz CZRQXMUYNRWCDR-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230598678 1376095215 /nfs/dbraw/zinc/09/52/15/1376095215.db2.gz WRTJLEGOEMFZNE-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4cccc5c[nH]nc54)C[C@@H]3C2)c1 ZINC001231973556 1376366151 /nfs/dbraw/zinc/36/61/51/1376366151.db2.gz XRZRIFFDACJEBD-IAGOWNOFSA-N 2 1 338.480 3.188 20 0 EGADMP COCc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001232299388 1376434035 /nfs/dbraw/zinc/43/40/35/1376434035.db2.gz BTBURHMGUNOVJA-OALUTQOASA-N 2 1 342.508 3.458 20 0 EGADMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3C3CCCCC3)cn2)CC1 ZINC001232360989 1376449839 /nfs/dbraw/zinc/44/98/39/1376449839.db2.gz BJWXIZBPHVULKQ-FQEVSTJZSA-N 2 1 342.531 3.378 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(OCc4ccccc4)ccn3)C[C@@H]2C1 ZINC001232587565 1376483700 /nfs/dbraw/zinc/48/37/00/1376483700.db2.gz QOZPGPVDHKCCLK-MOPGFXCFSA-N 2 1 337.467 3.044 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(OCc4ccccc4)ccn3)C[C@@H]2C1 ZINC001232587565 1376483702 /nfs/dbraw/zinc/48/37/02/1376483702.db2.gz QOZPGPVDHKCCLK-MOPGFXCFSA-N 2 1 337.467 3.044 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(OCc4ccccc4)ccn3)C[C@@H]2C1 ZINC001232587565 1376483704 /nfs/dbraw/zinc/48/37/04/1376483704.db2.gz QOZPGPVDHKCCLK-MOPGFXCFSA-N 2 1 337.467 3.044 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(OCc4ccccc4)ccn3)C[C@@H]2C1 ZINC001232587565 1376483706 /nfs/dbraw/zinc/48/37/06/1376483706.db2.gz QOZPGPVDHKCCLK-MOPGFXCFSA-N 2 1 337.467 3.044 20 0 EGADMP CNc1ccccc1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001232669074 1376497253 /nfs/dbraw/zinc/49/72/53/1376497253.db2.gz SWFUAMUKUNOXOG-IAGOWNOFSA-N 2 1 327.497 3.354 20 0 EGADMP CCc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134606757 1376620910 /nfs/dbraw/zinc/62/09/10/1376620910.db2.gz ALYFJFODUXXOQQ-DLBZAZTESA-N 2 1 345.531 3.106 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001134774530 1376713425 /nfs/dbraw/zinc/71/34/25/1376713425.db2.gz ZAFYDDZULGEKLB-ZBEVKASSSA-N 2 1 345.531 3.303 20 0 EGADMP CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134792146 1376726008 /nfs/dbraw/zinc/72/60/08/1376726008.db2.gz ZAUYLRQUFWHIMR-HOTGVXAUSA-N 2 1 325.541 3.312 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189109819 1388460445 /nfs/dbraw/zinc/46/04/45/1388460445.db2.gz FUMYKBFTGJEEKT-MRNPFCMQSA-N 2 1 349.563 3.386 20 0 EGADMP c1csc(-c2ccccc2C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235035105 1376833362 /nfs/dbraw/zinc/83/33/62/1376833362.db2.gz AOMPKIBZEZFWFR-SJLPKXTDSA-N 2 1 328.481 3.225 20 0 EGADMP Clc1ccccc1-c1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)o1 ZINC001235036293 1376834891 /nfs/dbraw/zinc/83/48/91/1376834891.db2.gz LCNBJKOKAIXQJR-AUUYWEPGSA-N 2 1 346.858 3.410 20 0 EGADMP Cc1ccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cc2)o1 ZINC001235035632 1376835565 /nfs/dbraw/zinc/83/55/65/1376835565.db2.gz GNTBSPOIQWKZQX-UYAOXDASSA-N 2 1 326.440 3.065 20 0 EGADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038176 1376836412 /nfs/dbraw/zinc/83/64/12/1376836412.db2.gz DJJFKZUZEIBDEL-OXQOHEQNSA-N 2 1 330.472 3.202 20 0 EGADMP COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235046315 1376842283 /nfs/dbraw/zinc/84/22/83/1376842283.db2.gz PQCDUDAQVQICLV-HXUWFJFHSA-N 2 1 341.455 3.063 20 0 EGADMP COC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235046315 1376842288 /nfs/dbraw/zinc/84/22/88/1376842288.db2.gz PQCDUDAQVQICLV-HXUWFJFHSA-N 2 1 341.455 3.063 20 0 EGADMP c1cc(-c2cccc(C[N@H+]3CCC[C@]4(CNCCO4)C3)c2)cs1 ZINC001235122813 1376853395 /nfs/dbraw/zinc/85/33/95/1376853395.db2.gz ZJOBAGBFJIRBLT-IBGZPJMESA-N 2 1 328.481 3.370 20 0 EGADMP c1cc(-c2cccc(CN3CCC[C@]4(C[NH2+]CCO4)C3)c2)cs1 ZINC001235122813 1376853401 /nfs/dbraw/zinc/85/34/01/1376853401.db2.gz ZJOBAGBFJIRBLT-IBGZPJMESA-N 2 1 328.481 3.370 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccsc1 ZINC001235338193 1376868870 /nfs/dbraw/zinc/86/88/70/1376868870.db2.gz VKDSEXRKWQDILT-ROUUACIJSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccsc1 ZINC001235338193 1376868875 /nfs/dbraw/zinc/86/88/75/1376868875.db2.gz VKDSEXRKWQDILT-ROUUACIJSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccsc1 ZINC001235338193 1376868878 /nfs/dbraw/zinc/86/88/78/1376868878.db2.gz VKDSEXRKWQDILT-ROUUACIJSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccsc1 ZINC001235338193 1376868882 /nfs/dbraw/zinc/86/88/82/1376868882.db2.gz VKDSEXRKWQDILT-ROUUACIJSA-N 2 1 349.544 3.044 20 0 EGADMP Fc1cc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc(OCc2ccccc2)c1 ZINC001235339319 1376869179 /nfs/dbraw/zinc/86/91/79/1376869179.db2.gz FRUDKGIHTAJPNT-GOSISDBHSA-N 2 1 340.442 3.446 20 0 EGADMP Clc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc2c1OCO2 ZINC001235430441 1376871316 /nfs/dbraw/zinc/87/13/16/1376871316.db2.gz SYVXDTPKHYCBIK-LSDHHAIUSA-N 2 1 336.863 3.280 20 0 EGADMP COc1cc(C)cc(OC)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431116 1376871720 /nfs/dbraw/zinc/87/17/20/1376871720.db2.gz UYMCIABGDCCWKK-IAGOWNOFSA-N 2 1 332.488 3.224 20 0 EGADMP COc1cc(F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC001235429858 1376872519 /nfs/dbraw/zinc/87/25/19/1376872519.db2.gz RTSIIIWAVCSHGE-HUUCEWRRSA-N 2 1 336.451 3.055 20 0 EGADMP Clc1ccc2c(c1)n[nH]c2C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431229 1376872645 /nfs/dbraw/zinc/87/26/45/1376872645.db2.gz YZWKEQAMFDYYSJ-UONOGXRCSA-N 2 1 332.879 3.428 20 0 EGADMP CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCCC1)[NH+](C)C ZINC001235588522 1376877402 /nfs/dbraw/zinc/87/74/02/1376877402.db2.gz KPRWNNYQNBPWLT-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP FC1(C[N@@H+]2C[C@H]3c4ccccc4[C@@H](OCC4CC4)[C@H]3C2)CC[NH2+]CC1 ZINC001235632196 1376880007 /nfs/dbraw/zinc/88/00/07/1376880007.db2.gz PIRRFLNBAFESQF-SLFFLAALSA-N 2 1 344.474 3.275 20 0 EGADMP [NH3+]C1CN([C@@H]2CCC[N@@H+](Cc3sccc3Oc3ccccc3)C2)C1 ZINC001236077039 1376932240 /nfs/dbraw/zinc/93/22/40/1376932240.db2.gz FBMWPGGBLISCTD-MRXNPFEDSA-N 2 1 343.496 3.148 20 0 EGADMP [NH3+]Cc1cccc(CN2CC[C@]3(CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001236181860 1376939163 /nfs/dbraw/zinc/93/91/63/1376939163.db2.gz KMLBXPMLGHEAJR-JOCHJYFZSA-N 2 1 335.495 3.386 20 0 EGADMP [NH3+]Cc1cccc(C[N@@H+]2CC[C@]3(CCCN3Cc3ccccc3)C2)c1 ZINC001236181860 1376939171 /nfs/dbraw/zinc/93/91/71/1376939171.db2.gz KMLBXPMLGHEAJR-JOCHJYFZSA-N 2 1 335.495 3.386 20 0 EGADMP [NH3+]Cc1cccc(C[N@H+]2CC[C@]3(CCCN3Cc3ccccc3)C2)c1 ZINC001236181860 1376939178 /nfs/dbraw/zinc/93/91/78/1376939178.db2.gz KMLBXPMLGHEAJR-JOCHJYFZSA-N 2 1 335.495 3.386 20 0 EGADMP C[N@H+](Cc1cccnc1OCc1ccccc1)CC1CC[NH+](C)CC1 ZINC001238774701 1377001030 /nfs/dbraw/zinc/00/10/30/1377001030.db2.gz UUZBEWCIPYNBAB-UHFFFAOYSA-N 2 1 339.483 3.434 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@H+](C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001246545971 1377052221 /nfs/dbraw/zinc/05/22/21/1377052221.db2.gz DPJSJPIPTMQPFG-AFMYVXGZSA-N 2 1 348.462 3.308 20 0 EGADMP O[C@@]1(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)CCN(Cc2ccccc2)C1 ZINC001252933185 1377093310 /nfs/dbraw/zinc/09/33/10/1377093310.db2.gz FHARKZZLZBGGDR-NJDAHSKKSA-N 2 1 328.500 3.136 20 0 EGADMP O[C@@]1(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC001252933185 1377093313 /nfs/dbraw/zinc/09/33/13/1377093313.db2.gz FHARKZZLZBGGDR-NJDAHSKKSA-N 2 1 328.500 3.136 20 0 EGADMP O[C@@]1(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC001252933185 1377093316 /nfs/dbraw/zinc/09/33/16/1377093316.db2.gz FHARKZZLZBGGDR-NJDAHSKKSA-N 2 1 328.500 3.136 20 0 EGADMP O[C@@]1(C[NH+]2CC[C@H]3CCCC[C@@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC001252933185 1377093319 /nfs/dbraw/zinc/09/33/19/1377093319.db2.gz FHARKZZLZBGGDR-NJDAHSKKSA-N 2 1 328.500 3.136 20 0 EGADMP O[C@@]1(C[NH+]2CC[C@H]3CCCC[C@@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252933185 1377093322 /nfs/dbraw/zinc/09/33/22/1377093322.db2.gz FHARKZZLZBGGDR-NJDAHSKKSA-N 2 1 328.500 3.136 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 ZINC001254509270 1377105629 /nfs/dbraw/zinc/10/56/29/1377105629.db2.gz XTOFDGXXQHKMNB-CQSZACIVSA-N 2 1 326.366 3.441 20 0 EGADMP Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1CCC[N@H+](C)CC1 ZINC001254528155 1377107292 /nfs/dbraw/zinc/10/72/92/1377107292.db2.gz CMMJOVIAAQGERR-OKYOBFRVSA-N 2 1 345.535 3.362 20 0 EGADMP Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1CCC[N@@H+](C)CC1 ZINC001254528155 1377107294 /nfs/dbraw/zinc/10/72/94/1377107294.db2.gz CMMJOVIAAQGERR-OKYOBFRVSA-N 2 1 345.535 3.362 20 0 EGADMP Cc1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135468436 1377107581 /nfs/dbraw/zinc/10/75/81/1377107581.db2.gz PLIAQQOIVHLSMU-MSOLQXFVSA-N 2 1 345.531 3.100 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254987288 1377109438 /nfs/dbraw/zinc/10/94/38/1377109438.db2.gz JSCKFUORCJSORI-ULQDDVLXSA-N 2 1 339.524 3.048 20 0 EGADMP CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481238 1377113926 /nfs/dbraw/zinc/11/39/26/1377113926.db2.gz RRALNPSTVWNDET-MOPGFXCFSA-N 2 1 347.547 3.080 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CCCC1 ZINC001135583706 1377155258 /nfs/dbraw/zinc/15/52/58/1377155258.db2.gz CUUYEXIFWUTLDN-IRXDYDNUSA-N 2 1 348.535 3.460 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CC1 ZINC001135600188 1377159006 /nfs/dbraw/zinc/15/90/06/1377159006.db2.gz ILNOMWLIWKMBAA-HOTGVXAUSA-N 2 1 334.508 3.070 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC1CCC1 ZINC001135678012 1377181018 /nfs/dbraw/zinc/18/10/18/1377181018.db2.gz AFOBAXBMJHWJGW-DLBZAZTESA-N 2 1 348.535 3.425 20 0 EGADMP C[N@@H+](CCCC1CCC1)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001266113098 1377190590 /nfs/dbraw/zinc/19/05/90/1377190590.db2.gz HOFDRTIGSDESPJ-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CC2CCCCCC2)C1 ZINC001266115854 1377192650 /nfs/dbraw/zinc/19/26/50/1377192650.db2.gz BCDOZHVBKHSLJR-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCCC2)C1 ZINC001266115854 1377192652 /nfs/dbraw/zinc/19/26/52/1377192652.db2.gz BCDOZHVBKHSLJR-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC001266115854 1377192654 /nfs/dbraw/zinc/19/26/54/1377192654.db2.gz BCDOZHVBKHSLJR-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC1CC(C[N@@H+](C)[C@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001266119620 1377195277 /nfs/dbraw/zinc/19/52/77/1377195277.db2.gz IQFFOIWMKQJORD-MHJFOBGBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001135861385 1377238547 /nfs/dbraw/zinc/23/85/47/1377238547.db2.gz PZXZREJPKYRZNU-SJORKVTESA-N 2 1 345.531 3.279 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001135861952 1377238598 /nfs/dbraw/zinc/23/85/98/1377238598.db2.gz ZNGCZKSKOSEDPO-IRXDYDNUSA-N 2 1 325.541 3.172 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135882668 1377248544 /nfs/dbraw/zinc/24/85/44/1377248544.db2.gz QVOCGMGHRWWADQ-MSOLQXFVSA-N 2 1 333.520 3.018 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135882670 1377249094 /nfs/dbraw/zinc/24/90/94/1377249094.db2.gz QVOCGMGHRWWADQ-ROUUACIJSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001135973721 1377282587 /nfs/dbraw/zinc/28/25/87/1377282587.db2.gz COGPEVPIQLDBGS-ROUUACIJSA-N 2 1 333.520 3.100 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001135979634 1377284824 /nfs/dbraw/zinc/28/48/24/1377284824.db2.gz HYMSBYCJDKRUQY-SJORKVTESA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135980170 1377285753 /nfs/dbraw/zinc/28/57/53/1377285753.db2.gz LXDUMIRYLIHYLP-SJORKVTESA-N 2 1 345.531 3.279 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001266479702 1377317846 /nfs/dbraw/zinc/31/78/46/1377317846.db2.gz BFAFNIKNXHDQRF-MOPGFXCFSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC001136473377 1377396728 /nfs/dbraw/zinc/39/67/28/1377396728.db2.gz KXQIUKAKMLKUHD-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1C(C)C ZINC001267279603 1377437034 /nfs/dbraw/zinc/43/70/34/1377437034.db2.gz HYLBCXIIWALODF-IBGZPJMESA-N 2 1 345.531 3.232 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1C(C)C ZINC001267279603 1377437037 /nfs/dbraw/zinc/43/70/37/1377437037.db2.gz HYLBCXIIWALODF-IBGZPJMESA-N 2 1 345.531 3.232 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1C(C)C ZINC001267279603 1377437039 /nfs/dbraw/zinc/43/70/39/1377437039.db2.gz HYLBCXIIWALODF-IBGZPJMESA-N 2 1 345.531 3.232 20 0 EGADMP C[C@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@@H+](C)Cc1ccccc1 ZINC001137208740 1377496989 /nfs/dbraw/zinc/49/69/89/1377496989.db2.gz LIBYUYXBEHQQQG-MOPGFXCFSA-N 2 1 345.531 3.278 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001269345926 1377552236 /nfs/dbraw/zinc/55/22/36/1377552236.db2.gz WVRGOZGOBLEJSD-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C)c1F)C2 ZINC001137674665 1377588729 /nfs/dbraw/zinc/58/87/29/1377588729.db2.gz CHMPFQNIGXIJRN-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C)c1F)C2 ZINC001137674665 1377588732 /nfs/dbraw/zinc/58/87/32/1377588732.db2.gz CHMPFQNIGXIJRN-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(C)c1F)C2 ZINC001137674665 1377588734 /nfs/dbraw/zinc/58/87/34/1377588734.db2.gz CHMPFQNIGXIJRN-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(C)c1F)C2 ZINC001137674665 1377588737 /nfs/dbraw/zinc/58/87/37/1377588737.db2.gz CHMPFQNIGXIJRN-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP CCC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC001137819497 1377622193 /nfs/dbraw/zinc/62/21/93/1377622193.db2.gz VWKQJHVWELBXKC-UXHICEINSA-N 2 1 345.531 3.086 20 0 EGADMP CCC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001137819497 1377622194 /nfs/dbraw/zinc/62/21/94/1377622194.db2.gz VWKQJHVWELBXKC-UXHICEINSA-N 2 1 345.531 3.086 20 0 EGADMP CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(-n3ccnc3C)cc2)C1 ZINC001138548251 1377740146 /nfs/dbraw/zinc/74/01/46/1377740146.db2.gz BXGRNASRNKEOLE-FQEVSTJZSA-N 2 1 341.455 3.346 20 0 EGADMP CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138548251 1377740147 /nfs/dbraw/zinc/74/01/47/1377740147.db2.gz BXGRNASRNKEOLE-FQEVSTJZSA-N 2 1 341.455 3.346 20 0 EGADMP CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138548251 1377740148 /nfs/dbraw/zinc/74/01/48/1377740148.db2.gz BXGRNASRNKEOLE-FQEVSTJZSA-N 2 1 341.455 3.346 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C(C)C)C2CCN(C)CC2)cc1 ZINC001138551335 1377740827 /nfs/dbraw/zinc/74/08/27/1377740827.db2.gz FMKFPXRMYWVUMT-UHFFFAOYSA-N 2 1 326.488 3.485 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C(C)C)C2CCN(C)CC2)cc1 ZINC001138551335 1377740829 /nfs/dbraw/zinc/74/08/29/1377740829.db2.gz FMKFPXRMYWVUMT-UHFFFAOYSA-N 2 1 326.488 3.485 20 0 EGADMP Cc1cnccc1O[C@H]1CCN(Cc2cnn(Cc3ccccc3)c2)C1 ZINC001138767661 1377781970 /nfs/dbraw/zinc/78/19/70/1377781970.db2.gz MVOAQBYYXYAMCG-FQEVSTJZSA-N 2 1 348.450 3.288 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)nn1C ZINC001138830002 1377793171 /nfs/dbraw/zinc/79/31/71/1377793171.db2.gz CMYJFDWROWCYLV-UXHICEINSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)nn1C ZINC001138830002 1377793172 /nfs/dbraw/zinc/79/31/72/1377793172.db2.gz CMYJFDWROWCYLV-UXHICEINSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)nn1C ZINC001138830002 1377793173 /nfs/dbraw/zinc/79/31/73/1377793173.db2.gz CMYJFDWROWCYLV-UXHICEINSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1cnccc1O[C@@H]1CC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC001139074686 1377824444 /nfs/dbraw/zinc/82/44/44/1377824444.db2.gz PQLQTIPCUNIPOS-CQSZACIVSA-N 2 1 346.814 3.425 20 0 EGADMP C[N@H+](Cc1ccc(Oc2ncccn2)cc1)CC1CC[NH+](C)CC1 ZINC001139081240 1377826770 /nfs/dbraw/zinc/82/67/70/1377826770.db2.gz ZGKOMYKNWNRLHD-UHFFFAOYSA-N 2 1 326.444 3.043 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc3c(c2)ncn3C)CC1 ZINC001140506821 1378075212 /nfs/dbraw/zinc/07/52/12/1378075212.db2.gz FICYPZYGEIZUEI-UHFFFAOYSA-N 2 1 335.455 3.016 20 0 EGADMP Cn1cnc2cc(C[N@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)ccc21 ZINC001140508581 1378076126 /nfs/dbraw/zinc/07/61/26/1378076126.db2.gz GXXZXMCAZAULCI-ZWKOTPCHSA-N 2 1 326.488 3.412 20 0 EGADMP Cn1cnc2cc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@@H+]3C)ccc21 ZINC001140508581 1378076127 /nfs/dbraw/zinc/07/61/27/1378076127.db2.gz GXXZXMCAZAULCI-ZWKOTPCHSA-N 2 1 326.488 3.412 20 0 EGADMP Cn1cnc2cc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@H+]3C)ccc21 ZINC001140508581 1378076130 /nfs/dbraw/zinc/07/61/30/1378076130.db2.gz GXXZXMCAZAULCI-ZWKOTPCHSA-N 2 1 326.488 3.412 20 0 EGADMP COc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c(C)c1 ZINC001140674270 1378110595 /nfs/dbraw/zinc/11/05/95/1378110595.db2.gz PKWRAAWXVBQRAP-UHFFFAOYSA-N 2 1 325.456 3.446 20 0 EGADMP CN(C[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1)C(=O)OC(C)(C)C ZINC001140804820 1378143631 /nfs/dbraw/zinc/14/36/31/1378143631.db2.gz GZPFSHHDIGCRHN-AWEZNQCLSA-N 2 1 344.459 3.252 20 0 EGADMP CN(C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1)C(=O)OC(C)(C)C ZINC001140804820 1378143634 /nfs/dbraw/zinc/14/36/34/1378143634.db2.gz GZPFSHHDIGCRHN-AWEZNQCLSA-N 2 1 344.459 3.252 20 0 EGADMP c1cn(CC[N@H+]2CCCC3(CC[NH+](Cc4ccsc4)CC3)C2)cn1 ZINC001275867208 1378160057 /nfs/dbraw/zinc/16/00/57/1378160057.db2.gz YIZGWLGYTHTRTL-UHFFFAOYSA-N 2 1 344.528 3.323 20 0 EGADMP Cc1nccnc1C[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001276163656 1378168758 /nfs/dbraw/zinc/16/87/58/1378168758.db2.gz FTSHUKGUUUDKJR-UHFFFAOYSA-N 2 1 328.504 3.406 20 0 EGADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccncc3Br)CC2)C1 ZINC001276314902 1378170528 /nfs/dbraw/zinc/17/05/28/1378170528.db2.gz RYSFMDJBLWGVLH-UHFFFAOYSA-N 2 1 338.293 3.152 20 0 EGADMP COC(C)(C)C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3scnc3C)C2)C1 ZINC001277584196 1378234760 /nfs/dbraw/zinc/23/47/60/1378234760.db2.gz BYEGWRJNVBSCCC-SFHVURJKSA-N 2 1 337.533 3.164 20 0 EGADMP COC(C)(C)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3scnc3C)C2)C1 ZINC001277584196 1378234766 /nfs/dbraw/zinc/23/47/66/1378234766.db2.gz BYEGWRJNVBSCCC-SFHVURJKSA-N 2 1 337.533 3.164 20 0 EGADMP COC(C)(C)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3scnc3C)C2)C1 ZINC001277584196 1378234772 /nfs/dbraw/zinc/23/47/72/1378234772.db2.gz BYEGWRJNVBSCCC-SFHVURJKSA-N 2 1 337.533 3.164 20 0 EGADMP COC(C)(C)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3scnc3C)C2)C1 ZINC001277584196 1378234776 /nfs/dbraw/zinc/23/47/76/1378234776.db2.gz BYEGWRJNVBSCCC-SFHVURJKSA-N 2 1 337.533 3.164 20 0 EGADMP C[NH+]1CCC(N2CCC[C@]3(CC[N@@H+](CCCC(F)(F)F)C3)C2)CC1 ZINC001277624660 1378241063 /nfs/dbraw/zinc/24/10/63/1378241063.db2.gz GFDQGQCPYWFGIM-QGZVFWFLSA-N 2 1 347.469 3.211 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001278526825 1378280233 /nfs/dbraw/zinc/28/02/33/1378280233.db2.gz NCESLVMRKAVMKM-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001278526825 1378280237 /nfs/dbraw/zinc/28/02/37/1378280237.db2.gz NCESLVMRKAVMKM-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001278526825 1378280244 /nfs/dbraw/zinc/28/02/44/1378280244.db2.gz NCESLVMRKAVMKM-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP c1c[nH]c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccn4ccnc4c2)CC3)c1 ZINC001279357130 1378306798 /nfs/dbraw/zinc/30/67/98/1378306798.db2.gz HSKRUVVODLHKHO-UHFFFAOYSA-N 3 1 349.482 3.151 20 0 EGADMP c1c[nH]c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc4c[nH]nc4c2)CC3)c1 ZINC001279440628 1378308383 /nfs/dbraw/zinc/30/83/83/1378308383.db2.gz IDYMDRQKHYMKOG-UHFFFAOYSA-N 2 1 349.482 3.379 20 0 EGADMP CCC(CC)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001282677746 1378547623 /nfs/dbraw/zinc/54/76/23/1378547623.db2.gz GPJRDIHSMVDIED-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001143838514 1378651730 /nfs/dbraw/zinc/65/17/30/1378651730.db2.gz LJIWWOJSEXTVCI-IEBWSBKVSA-N 2 1 345.531 3.352 20 0 EGADMP C[C@@H]1CN(Cc2[nH+]cn3ccccc23)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001144611403 1378750746 /nfs/dbraw/zinc/75/07/46/1378750746.db2.gz NBDLILXTZKVKLO-MSOLQXFVSA-N 2 1 334.467 3.429 20 0 EGADMP C[C@@H]1CN(Cc2[nH+]cn3ccccc23)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001144611403 1378750749 /nfs/dbraw/zinc/75/07/49/1378750749.db2.gz NBDLILXTZKVKLO-MSOLQXFVSA-N 2 1 334.467 3.429 20 0 EGADMP c1[nH+]c(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2ccccn12 ZINC001144625791 1378752573 /nfs/dbraw/zinc/75/25/73/1378752573.db2.gz TZXYGQMUNNSUIC-VQTJNVASSA-N 2 1 346.478 3.288 20 0 EGADMP c1[nH+]c(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2ccccn12 ZINC001144625791 1378752575 /nfs/dbraw/zinc/75/25/75/1378752575.db2.gz TZXYGQMUNNSUIC-VQTJNVASSA-N 2 1 346.478 3.288 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001146332991 1378818750 /nfs/dbraw/zinc/81/87/50/1378818750.db2.gz LLLPPCFVBMGCAD-HZPDHXFCSA-N 2 1 346.519 3.035 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001146333732 1378818846 /nfs/dbraw/zinc/81/88/46/1378818846.db2.gz QMUUPSLHURKWEI-HOTGVXAUSA-N 2 1 348.535 3.281 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1sccc1Cl ZINC001146593881 1378873086 /nfs/dbraw/zinc/87/30/86/1378873086.db2.gz QYCGKIHMSTZRQS-CHWSQXEVSA-N 2 1 345.940 3.115 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001146594457 1378874789 /nfs/dbraw/zinc/87/47/89/1378874789.db2.gz SQONJWSRQVBSJQ-DLBZAZTESA-N 2 1 339.568 3.416 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001147204669 1378987318 /nfs/dbraw/zinc/98/73/18/1378987318.db2.gz PEQMCKHTOAQNTI-SFHVURJKSA-N 2 1 345.531 3.087 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001147204669 1378987323 /nfs/dbraw/zinc/98/73/23/1378987323.db2.gz PEQMCKHTOAQNTI-SFHVURJKSA-N 2 1 345.531 3.087 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001147204669 1378987328 /nfs/dbraw/zinc/98/73/28/1378987328.db2.gz PEQMCKHTOAQNTI-SFHVURJKSA-N 2 1 345.531 3.087 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C/C=C/c1ccccc1 ZINC001147348163 1379007521 /nfs/dbraw/zinc/00/75/21/1379007521.db2.gz GCTMLRIESUEYLL-JTPHSUOKSA-N 2 1 343.515 3.060 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(CC)cc1 ZINC001147359113 1379008176 /nfs/dbraw/zinc/00/81/76/1379008176.db2.gz LIGVEDONDGQARJ-FQEVSTJZSA-N 2 1 345.531 3.109 20 0 EGADMP C[C@@H]1CCC[C@H](CC[N@H+]2CCC3(CN(C(=O)CCC[NH+](C)C)C3)C2)C1 ZINC001148174841 1379129144 /nfs/dbraw/zinc/12/91/44/1379129144.db2.gz YCQOMNAYBYBWFA-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284913 1379145047 /nfs/dbraw/zinc/14/50/47/1379145047.db2.gz JHJDKPUQSKFQGL-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)[C@H]1C ZINC001283924861 1379276404 /nfs/dbraw/zinc/27/64/04/1379276404.db2.gz BBAVMYQAMCBRNY-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001148833852 1379279912 /nfs/dbraw/zinc/27/99/12/1379279912.db2.gz NZUQGNHLJVSCFH-LIXSYLKWSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001148833852 1379279915 /nfs/dbraw/zinc/27/99/15/1379279915.db2.gz NZUQGNHLJVSCFH-LIXSYLKWSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001148833852 1379279918 /nfs/dbraw/zinc/27/99/18/1379279918.db2.gz NZUQGNHLJVSCFH-LIXSYLKWSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH2+]C[C@H](C)CN[C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC001327841106 1388603913 /nfs/dbraw/zinc/60/39/13/1388603913.db2.gz VFCBQRXBMLTQLK-IRXDYDNUSA-N 2 1 333.520 3.187 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2c(C)cccc2C)C1 ZINC001284244536 1379628787 /nfs/dbraw/zinc/62/87/87/1379628787.db2.gz RISWMCSWLUFPNM-OALUTQOASA-N 2 1 345.531 3.020 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC1CCC(C)(C)CC1)c1ccccc1 ZINC001152528325 1379945668 /nfs/dbraw/zinc/94/56/68/1379945668.db2.gz DJOIDKHGKCIIFX-IBGZPJMESA-N 2 1 345.531 3.212 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153312957 1380053840 /nfs/dbraw/zinc/05/38/40/1380053840.db2.gz NZIIILDNTPRVIK-SJLPKXTDSA-N 2 1 337.552 3.122 20 0 EGADMP CC[NH+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153312957 1380053843 /nfs/dbraw/zinc/05/38/43/1380053843.db2.gz NZIIILDNTPRVIK-SJLPKXTDSA-N 2 1 337.552 3.122 20 0 EGADMP CC[NH+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153312957 1380053844 /nfs/dbraw/zinc/05/38/44/1380053844.db2.gz NZIIILDNTPRVIK-SJLPKXTDSA-N 2 1 337.552 3.122 20 0 EGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313815 1380054112 /nfs/dbraw/zinc/05/41/12/1380054112.db2.gz XOVOASYUORGVRO-VQIMIIECSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153313815 1380054116 /nfs/dbraw/zinc/05/41/16/1380054116.db2.gz XOVOASYUORGVRO-VQIMIIECSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153313815 1380054121 /nfs/dbraw/zinc/05/41/21/1380054121.db2.gz XOVOASYUORGVRO-VQIMIIECSA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001153362714 1380064761 /nfs/dbraw/zinc/06/47/61/1380064761.db2.gz UCNZQOGPONZYCY-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC1CCC1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153362714 1380064764 /nfs/dbraw/zinc/06/47/64/1380064764.db2.gz UCNZQOGPONZYCY-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC1CCC1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153362714 1380064766 /nfs/dbraw/zinc/06/47/66/1380064766.db2.gz UCNZQOGPONZYCY-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)[NH+]1CCCCCC1 ZINC001153447811 1380079247 /nfs/dbraw/zinc/07/92/47/1380079247.db2.gz LPOKFNPNOCFIGB-SFHVURJKSA-N 2 1 345.531 3.278 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CC(C)(C)C1 ZINC001153720334 1380118619 /nfs/dbraw/zinc/11/86/19/1380118619.db2.gz CGAIBGQNDFTHFJ-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC1CC(C)(C)C1 ZINC001153720334 1380118622 /nfs/dbraw/zinc/11/86/22/1380118622.db2.gz CGAIBGQNDFTHFJ-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(C)(C)C1 ZINC001153720334 1380118624 /nfs/dbraw/zinc/11/86/24/1380118624.db2.gz CGAIBGQNDFTHFJ-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153819308 1380136862 /nfs/dbraw/zinc/13/68/62/1380136862.db2.gz WCYAOCAFAVNUQU-MSOLQXFVSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](CCC(C)C)[C@H](C)CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001153819308 1380136864 /nfs/dbraw/zinc/13/68/64/1380136864.db2.gz WCYAOCAFAVNUQU-MSOLQXFVSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](CCC(C)C)[C@H](C)CNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001153819308 1380136866 /nfs/dbraw/zinc/13/68/66/1380136866.db2.gz WCYAOCAFAVNUQU-MSOLQXFVSA-N 2 1 325.541 3.122 20 0 EGADMP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153819193 1380136948 /nfs/dbraw/zinc/13/69/48/1380136948.db2.gz RMSDGTRFFBGCCE-IAGOWNOFSA-N 2 1 334.508 3.023 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153819193 1380136950 /nfs/dbraw/zinc/13/69/50/1380136950.db2.gz RMSDGTRFFBGCCE-IAGOWNOFSA-N 2 1 334.508 3.023 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(Cl)s1)[NH+](C)C ZINC001153998290 1380174744 /nfs/dbraw/zinc/17/47/44/1380174744.db2.gz MRLLFIZNWYKZGE-TZMCWYRMSA-N 2 1 345.940 3.068 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CCCc1ccccc1 ZINC001154070279 1380198653 /nfs/dbraw/zinc/19/86/53/1380198653.db2.gz XBHBWEUJSHTFPF-GOSISDBHSA-N 2 1 347.547 3.176 20 0 EGADMP CC[NH+](CCCc1ccccc1)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154070279 1380198657 /nfs/dbraw/zinc/19/86/57/1380198657.db2.gz XBHBWEUJSHTFPF-GOSISDBHSA-N 2 1 347.547 3.176 20 0 EGADMP CC[NH+](CCCc1ccccc1)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154070279 1380198660 /nfs/dbraw/zinc/19/86/60/1380198660.db2.gz XBHBWEUJSHTFPF-GOSISDBHSA-N 2 1 347.547 3.176 20 0 EGADMP C[C@H]([NH2+]C1CC(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001284790304 1380212015 /nfs/dbraw/zinc/21/20/15/1380212015.db2.gz RGCDDRSXHLPBFU-IVMQYODDSA-N 2 1 345.531 3.305 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH+](C)Cc2ccccc2)CCCCC1 ZINC001154270175 1380243554 /nfs/dbraw/zinc/24/35/54/1380243554.db2.gz GQQNUKSWKURRJI-UHFFFAOYSA-N 2 1 345.531 3.279 20 0 EGADMP CCC[NH+](C)CC(=O)NCC1([N@H+](C)Cc2ccccc2)CCCCC1 ZINC001154270175 1380243556 /nfs/dbraw/zinc/24/35/56/1380243556.db2.gz GQQNUKSWKURRJI-UHFFFAOYSA-N 2 1 345.531 3.279 20 0 EGADMP CCC[NH+](C)CC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001154270175 1380243558 /nfs/dbraw/zinc/24/35/58/1380243558.db2.gz GQQNUKSWKURRJI-UHFFFAOYSA-N 2 1 345.531 3.279 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455137 1380280520 /nfs/dbraw/zinc/28/05/20/1380280520.db2.gz HCXWCSIFVFQSJA-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154464788 1380283024 /nfs/dbraw/zinc/28/30/24/1380283024.db2.gz YDITVNVRBHVQBN-QGZVFWFLSA-N 2 1 343.531 3.217 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580363 1380310096 /nfs/dbraw/zinc/31/00/96/1380310096.db2.gz VTVDGEPBXHBFSW-HJCTWCACSA-N 2 1 337.552 3.434 20 0 EGADMP COc1cc2[nH+]c(NC[C@H]3CCC[NH2+]C[C@H]3C)ccc2c(OC)c1 ZINC001155032073 1380395274 /nfs/dbraw/zinc/39/52/74/1380395274.db2.gz WLYVFLVCTPTZBK-ZIAGYGMSSA-N 2 1 329.444 3.300 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155085463 1380405131 /nfs/dbraw/zinc/40/51/31/1380405131.db2.gz MJIFBQLKNQRVIS-IAGOWNOFSA-N 2 1 327.557 3.226 20 0 EGADMP CC(C)n1ccc2c1nc[nH+]c2NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001155458783 1380456123 /nfs/dbraw/zinc/45/61/23/1380456123.db2.gz LKSAJQQJMJNYSB-OAHLLOKOSA-N 2 1 338.459 3.035 20 0 EGADMP CC[N@H+](Cc1ccsc1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155558665 1380467875 /nfs/dbraw/zinc/46/78/75/1380467875.db2.gz AFVNCSLMGKHGAY-OAHLLOKOSA-N 2 1 348.516 3.095 20 0 EGADMP CC[N@@H+](Cc1ccsc1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155558665 1380467877 /nfs/dbraw/zinc/46/78/77/1380467877.db2.gz AFVNCSLMGKHGAY-OAHLLOKOSA-N 2 1 348.516 3.095 20 0 EGADMP CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155607687 1380472951 /nfs/dbraw/zinc/47/29/51/1380472951.db2.gz URAYDRQJCLMHDG-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155607687 1380472952 /nfs/dbraw/zinc/47/29/52/1380472952.db2.gz URAYDRQJCLMHDG-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001155620521 1380474907 /nfs/dbraw/zinc/47/49/07/1380474907.db2.gz KJDAVHVGQTXBDR-QZTJIDSGSA-N 2 1 325.541 3.266 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001155620521 1380474908 /nfs/dbraw/zinc/47/49/08/1380474908.db2.gz KJDAVHVGQTXBDR-QZTJIDSGSA-N 2 1 325.541 3.266 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001155620521 1380474910 /nfs/dbraw/zinc/47/49/10/1380474910.db2.gz KJDAVHVGQTXBDR-QZTJIDSGSA-N 2 1 325.541 3.266 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(Cl)s1 ZINC001155900115 1380503830 /nfs/dbraw/zinc/50/38/30/1380503830.db2.gz AIPDHRVCPPPZNC-CYBMUJFWSA-N 2 1 345.940 3.070 20 0 EGADMP CC[NH+](CC(C)C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001156318817 1380557560 /nfs/dbraw/zinc/55/75/60/1380557560.db2.gz IAJKPRRZGGLVSS-IEBWSBKVSA-N 2 1 333.520 3.162 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC(C)C)c1ccccc1 ZINC001156318817 1380557562 /nfs/dbraw/zinc/55/75/62/1380557562.db2.gz IAJKPRRZGGLVSS-IEBWSBKVSA-N 2 1 333.520 3.162 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC(C)C)c1ccccc1 ZINC001156318817 1380557564 /nfs/dbraw/zinc/55/75/64/1380557564.db2.gz IAJKPRRZGGLVSS-IEBWSBKVSA-N 2 1 333.520 3.162 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(NCC[NH+]2CCSCC2)nc1 ZINC001157050310 1380760767 /nfs/dbraw/zinc/76/07/67/1380760767.db2.gz RAZXJTSHVOURDH-SFHVURJKSA-N 2 1 348.560 3.479 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092513 1380774511 /nfs/dbraw/zinc/77/45/11/1380774511.db2.gz YQRQVXOQKMHPCU-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157108983 1380777988 /nfs/dbraw/zinc/77/79/88/1380777988.db2.gz FLIIMGPWONSUNF-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001157108983 1380777993 /nfs/dbraw/zinc/77/79/93/1380777993.db2.gz FLIIMGPWONSUNF-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157118979 1380779470 /nfs/dbraw/zinc/77/94/70/1380779470.db2.gz QRCMXSCUEDCABN-MSOLQXFVSA-N 2 1 343.531 3.073 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157118967 1380780373 /nfs/dbraw/zinc/78/03/73/1380780373.db2.gz QGMLSMPCLVZKNK-TYFAACHXSA-N 2 1 337.552 3.290 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157255789 1380824770 /nfs/dbraw/zinc/82/47/70/1380824770.db2.gz LLJJRTMYGNQKMD-LIXSYLKWSA-N 2 1 337.552 3.435 20 0 EGADMP C[N@@H+]1CCC[C@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@@H]21 ZINC001157269612 1380829225 /nfs/dbraw/zinc/82/92/25/1380829225.db2.gz BNVCLASPSBLMMI-HKUYNNGSSA-N 2 1 336.483 3.365 20 0 EGADMP C[N@H+]1CCC[C@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@@H]21 ZINC001157269612 1380829228 /nfs/dbraw/zinc/82/92/28/1380829228.db2.gz BNVCLASPSBLMMI-HKUYNNGSSA-N 2 1 336.483 3.365 20 0 EGADMP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287417 1380834793 /nfs/dbraw/zinc/83/47/93/1380834793.db2.gz VISLEJIKXNSTBJ-GOSISDBHSA-N 2 1 347.547 3.381 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287417 1380834800 /nfs/dbraw/zinc/83/48/00/1380834800.db2.gz VISLEJIKXNSTBJ-GOSISDBHSA-N 2 1 347.547 3.381 20 0 EGADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001157287417 1380834804 /nfs/dbraw/zinc/83/48/04/1380834804.db2.gz VISLEJIKXNSTBJ-GOSISDBHSA-N 2 1 347.547 3.381 20 0 EGADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001157287417 1380834807 /nfs/dbraw/zinc/83/48/07/1380834807.db2.gz VISLEJIKXNSTBJ-GOSISDBHSA-N 2 1 347.547 3.381 20 0 EGADMP c1cc2c(cc[nH+]c2N(c2ncnc3ccccc32)C2CC[NH2+]CC2)[nH]1 ZINC001157318375 1380841536 /nfs/dbraw/zinc/84/15/36/1380841536.db2.gz NTFVXQFROKCWIK-UHFFFAOYSA-N 2 1 344.422 3.396 20 0 EGADMP CCC[NH+]1C[C@@H]2CN(c3ccc([C@H]4CCCC[N@H+]4CC)cn3)C[C@H]2C1 ZINC001157698062 1381006204 /nfs/dbraw/zinc/00/62/04/1381006204.db2.gz BICCEIIOIKEXOB-VAMGGRTRSA-N 2 1 342.531 3.407 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001157973795 1381090201 /nfs/dbraw/zinc/09/02/01/1381090201.db2.gz PNYQRDNXHSDEQA-CEXWTWQISA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001157973795 1381090208 /nfs/dbraw/zinc/09/02/08/1381090208.db2.gz PNYQRDNXHSDEQA-CEXWTWQISA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001157973795 1381090222 /nfs/dbraw/zinc/09/02/22/1381090222.db2.gz PNYQRDNXHSDEQA-CEXWTWQISA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001158067213 1381119523 /nfs/dbraw/zinc/11/95/23/1381119523.db2.gz XMEIFZRKMHNTCU-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001158067213 1381119531 /nfs/dbraw/zinc/11/95/31/1381119531.db2.gz XMEIFZRKMHNTCU-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001158067213 1381119533 /nfs/dbraw/zinc/11/95/33/1381119533.db2.gz XMEIFZRKMHNTCU-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC/C=C/CC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158098788 1381127467 /nfs/dbraw/zinc/12/74/67/1381127467.db2.gz JUBKWQSOGCYNKG-PXPVJAHISA-N 2 1 349.563 3.483 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC001158624971 1381328392 /nfs/dbraw/zinc/32/83/92/1381328392.db2.gz IRZXWUPSWDDCNX-LJQANCHMSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158751595 1381382456 /nfs/dbraw/zinc/38/24/56/1381382456.db2.gz ZLEGMTANUFHENZ-SLVIYJBESA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001158751595 1381382460 /nfs/dbraw/zinc/38/24/60/1381382460.db2.gz ZLEGMTANUFHENZ-SLVIYJBESA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001158751595 1381382465 /nfs/dbraw/zinc/38/24/65/1381382465.db2.gz ZLEGMTANUFHENZ-SLVIYJBESA-N 2 1 349.563 3.388 20 0 EGADMP c1nn(C2C[NH2+]C2)cc1Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001159510602 1381812916 /nfs/dbraw/zinc/81/29/16/1381812916.db2.gz LXWFMDLXUWBZHC-UHFFFAOYSA-N 2 1 345.450 3.287 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001159911048 1381934525 /nfs/dbraw/zinc/93/45/25/1381934525.db2.gz XBYOJQDQVAFQFG-ACBHZAAOSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159909168 1381934653 /nfs/dbraw/zinc/93/46/53/1381934653.db2.gz KNJYURHVFNROBU-MJGOQNOKSA-N 2 1 337.552 3.172 20 0 EGADMP Cc1nc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)cc(N2CCCC2)[nH+]1 ZINC001159948293 1381946098 /nfs/dbraw/zinc/94/60/98/1381946098.db2.gz UEVQMMXOUFLIMA-OAHLLOKOSA-N 2 1 347.466 3.145 20 0 EGADMP [NH3+]C1CCN(c2c(F)cccc2Nc2cc[nH+]c3ccccc23)CC1 ZINC001160105419 1381997801 /nfs/dbraw/zinc/99/78/01/1381997801.db2.gz OHHXFVAMIYRMCZ-UHFFFAOYSA-N 2 1 336.414 3.467 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120313 1382003426 /nfs/dbraw/zinc/00/34/26/1382003426.db2.gz LLMWZHRIKJZUAO-MJGOQNOKSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160120313 1382003431 /nfs/dbraw/zinc/00/34/31/1382003431.db2.gz LLMWZHRIKJZUAO-MJGOQNOKSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160120313 1382003436 /nfs/dbraw/zinc/00/34/36/1382003436.db2.gz LLMWZHRIKJZUAO-MJGOQNOKSA-N 2 1 335.536 3.044 20 0 EGADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001328492218 1388762702 /nfs/dbraw/zinc/76/27/02/1388762702.db2.gz MGFFZEXEBBGKLN-INIZCTEOSA-N 2 1 329.488 3.042 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567845 1382144200 /nfs/dbraw/zinc/14/42/00/1382144200.db2.gz NEFGBEUYFPXMMA-FQEVSTJZSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160567845 1382144204 /nfs/dbraw/zinc/14/42/04/1382144204.db2.gz NEFGBEUYFPXMMA-FQEVSTJZSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160567845 1382144207 /nfs/dbraw/zinc/14/42/07/1382144207.db2.gz NEFGBEUYFPXMMA-FQEVSTJZSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)(C(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1)[NH+]1CCCC1 ZINC001160855906 1382217115 /nfs/dbraw/zinc/21/71/15/1382217115.db2.gz BPRXNLZOVBZVFV-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN(C(=O)C[C@@H]([NH3+])C(C)(C)C)CC1 ZINC001161058094 1382285861 /nfs/dbraw/zinc/28/58/61/1382285861.db2.gz MZNLOCPIJLPXDY-GOSISDBHSA-N 2 1 349.494 3.012 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161133690 1382313603 /nfs/dbraw/zinc/31/36/03/1382313603.db2.gz MWQSMEOOPWGSAD-ZTBDEIDFSA-N 2 1 349.563 3.457 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001161207011 1382341950 /nfs/dbraw/zinc/34/19/50/1382341950.db2.gz ORJZMOYLTSLYAQ-QGZVFWFLSA-N 2 1 335.536 3.045 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001161207011 1382341954 /nfs/dbraw/zinc/34/19/54/1382341954.db2.gz ORJZMOYLTSLYAQ-QGZVFWFLSA-N 2 1 335.536 3.045 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001161207011 1382341959 /nfs/dbraw/zinc/34/19/59/1382341959.db2.gz ORJZMOYLTSLYAQ-QGZVFWFLSA-N 2 1 335.536 3.045 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001161226866 1382348682 /nfs/dbraw/zinc/34/86/82/1382348682.db2.gz RBWWJAMZHIQXFZ-MRXNPFEDSA-N 2 1 345.531 3.063 20 0 EGADMP c1cc(NCC2CC[NH+](CC3CCC3)CC2)nc(N2CCCCC2)[nH+]1 ZINC001161234211 1382351411 /nfs/dbraw/zinc/35/14/11/1382351411.db2.gz PFFMHHHVTHSZCM-UHFFFAOYSA-N 2 1 343.519 3.391 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001161244718 1382353566 /nfs/dbraw/zinc/35/35/66/1382353566.db2.gz BTFTVKGSJZZDBI-AWEZNQCLSA-N 2 1 339.911 3.227 20 0 EGADMP CC[NH+](CCCC1CCC1)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001328577164 1388780038 /nfs/dbraw/zinc/78/00/38/1388780038.db2.gz CMJZENRQJBHEKT-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CCCC1CCC1)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001328577164 1388780042 /nfs/dbraw/zinc/78/00/42/1388780042.db2.gz CMJZENRQJBHEKT-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NCCC1=CC[N@@H+](CC=C(C)C)CC1)C(C)C ZINC001161492450 1382421696 /nfs/dbraw/zinc/42/16/96/1382421696.db2.gz XBUCDRSPQYTAPW-FQEVSTJZSA-N 2 1 349.563 3.457 20 0 EGADMP CCC[N@@H+]1CC=C(CCNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001161688994 1382481463 /nfs/dbraw/zinc/48/14/63/1382481463.db2.gz SUCXOVISOZAOAV-NRFANRHFSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC2=CC[N@@H+](CCC3CC3)CC2)C1 ZINC001161704660 1382485427 /nfs/dbraw/zinc/48/54/27/1382485427.db2.gz DMDRNWJNNJVWLM-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1=CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001161755003 1382495707 /nfs/dbraw/zinc/49/57/07/1382495707.db2.gz GRLDIQKKXYNYBM-GOSISDBHSA-N 2 1 337.552 3.149 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@H+](C[C@H](C)CC(C)C)CC1 ZINC001161755003 1382495709 /nfs/dbraw/zinc/49/57/09/1382495709.db2.gz GRLDIQKKXYNYBM-GOSISDBHSA-N 2 1 337.552 3.149 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@@H+](C[C@H](C)CC(C)C)CC1 ZINC001161755003 1382495710 /nfs/dbraw/zinc/49/57/10/1382495710.db2.gz GRLDIQKKXYNYBM-GOSISDBHSA-N 2 1 337.552 3.149 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1=CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001161758819 1382497415 /nfs/dbraw/zinc/49/74/15/1382497415.db2.gz RSLYOCCUEUQMMC-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC001161758819 1382497421 /nfs/dbraw/zinc/49/74/21/1382497421.db2.gz RSLYOCCUEUQMMC-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC001161758819 1382497422 /nfs/dbraw/zinc/49/74/22/1382497422.db2.gz RSLYOCCUEUQMMC-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CCC(C)C)CC1 ZINC001161953603 1382569541 /nfs/dbraw/zinc/56/95/41/1382569541.db2.gz XFQXTROVZLWTAC-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](CCC(C)C)CC1 ZINC001161953603 1382569549 /nfs/dbraw/zinc/56/95/49/1382569549.db2.gz XFQXTROVZLWTAC-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCC(C)C)CC1 ZINC001161953603 1382569555 /nfs/dbraw/zinc/56/95/55/1382569555.db2.gz XFQXTROVZLWTAC-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NCCC2=CC[N@H+](C(C)C)CC2)o1 ZINC001161986886 1382589753 /nfs/dbraw/zinc/58/97/53/1382589753.db2.gz MFGQLVZBHDHEFV-UHFFFAOYSA-N 2 1 347.503 3.282 20 0 EGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3C[C@@](C)([NH3+])C3)c2c1C ZINC001162328842 1382730976 /nfs/dbraw/zinc/73/09/76/1382730976.db2.gz NQMZWTCDYULTJQ-QGGXVJLZSA-N 2 1 345.516 3.196 20 0 EGADMP C[C@H]1C[NH2+]CCC[C@H]1CNc1cc[nH+]c2ccc(Br)cc12 ZINC001162468443 1382766705 /nfs/dbraw/zinc/76/67/05/1382766705.db2.gz YTCNOEIQGDKPHA-STQMWFEESA-N 2 1 348.288 3.467 20 0 EGADMP C[N@H+]1CCCC[C@@H]1c1ccc(NCc2ccc3c(c2)CC[NH2+]C3)nc1 ZINC001162807796 1382879758 /nfs/dbraw/zinc/87/97/58/1382879758.db2.gz SIRTUBIRDGFHCF-HXUWFJFHSA-N 2 1 336.483 3.496 20 0 EGADMP c1cn(Cc2ccccc2)c2nc[nH+]c(NC3CC4(C3)CCC[NH2+]C4)c12 ZINC001162982171 1382936355 /nfs/dbraw/zinc/93/63/55/1382936355.db2.gz QMOQEEIPQPFPLI-UHFFFAOYSA-N 2 1 347.466 3.424 20 0 EGADMP C1=CC[C@H](C[NH+]2CCC(Nc3nc(N4CCCC4)cc[nH+]3)CC2)CC1 ZINC001163313386 1383018942 /nfs/dbraw/zinc/01/89/42/1383018942.db2.gz OTZLNFOBLGRFTC-KRWDZBQOSA-N 2 1 341.503 3.309 20 0 EGADMP Cc1[nH+]ccn1CCNc1ccc(CO[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001163929970 1383136602 /nfs/dbraw/zinc/13/66/02/1383136602.db2.gz WUTMPRXWVFDHRT-RTBURBONSA-N 2 1 328.460 3.090 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001164449334 1383187852 /nfs/dbraw/zinc/18/78/52/1383187852.db2.gz IARKXUYAMMKWJA-OALUTQOASA-N 2 1 345.531 3.274 20 0 EGADMP O=C(NCCC[NH2+]CC1CCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164492249 1383193165 /nfs/dbraw/zinc/19/31/65/1383193165.db2.gz YWLXIISJUZJWNU-LJQANCHMSA-N 2 1 335.536 3.070 20 0 EGADMP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531582 1383196756 /nfs/dbraw/zinc/19/67/56/1383196756.db2.gz NUQWGVCTEPEDKX-OALUTQOASA-N 2 1 349.563 3.173 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2ccc(C(C)(C)C)cn2)CC1 ZINC001165108802 1383229564 /nfs/dbraw/zinc/22/95/64/1383229564.db2.gz HTAQTZXFUVOUCP-GOSISDBHSA-N 2 1 331.504 3.459 20 0 EGADMP C[N@@H+]1CCC[C@@H](CCNc2nc(N3CCCC(C)(C)C3)cc[nH+]2)C1 ZINC001165273522 1383263789 /nfs/dbraw/zinc/26/37/89/1383263789.db2.gz SCNNAANYAFIJAD-INIZCTEOSA-N 2 1 331.508 3.247 20 0 EGADMP C[N@H+]1CCC[C@@H](CCNc2nc(N3CCCC(C)(C)C3)cc[nH+]2)C1 ZINC001165273522 1383263792 /nfs/dbraw/zinc/26/37/92/1383263792.db2.gz SCNNAANYAFIJAD-INIZCTEOSA-N 2 1 331.508 3.247 20 0 EGADMP C[N@H+]1CCC[C@H](CCNc2cccc3c2C2(C=C3)CC[NH2+]CC2)C1 ZINC001165278211 1383264728 /nfs/dbraw/zinc/26/47/28/1383264728.db2.gz DVFKIVZDYNHAHG-QGZVFWFLSA-N 2 1 325.500 3.478 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001165926892 1383366070 /nfs/dbraw/zinc/36/60/70/1383366070.db2.gz IQVFMQMZYNTKIJ-LJQANCHMSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)C[NH2+]CC1(CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001166390864 1383417817 /nfs/dbraw/zinc/41/78/17/1383417817.db2.gz PKOHWOGLNUBVLA-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP CCCC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001166391406 1383418393 /nfs/dbraw/zinc/41/83/93/1383418393.db2.gz VVIVXYMOIFNCSB-UHFFFAOYSA-N 2 1 337.552 3.317 20 0 EGADMP CCC/C=C\CC[NH2+]CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001166687198 1383460831 /nfs/dbraw/zinc/46/08/31/1383460831.db2.gz IMAUOPJWGHSTIA-FQQSSWHASA-N 2 1 341.515 3.041 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793408 1383478250 /nfs/dbraw/zinc/47/82/50/1383478250.db2.gz MNYCQCLOYSRYLB-ZMBJWTFHSA-N 2 1 349.563 3.341 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NCCC2(C[NH2+]CC3=CCCCC3)CC2)C1 ZINC001167235957 1383571687 /nfs/dbraw/zinc/57/16/87/1383571687.db2.gz FCMNJHCEJWQIOR-UHFFFAOYSA-N 2 1 347.547 3.095 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1C(C)C)c1ccccc1 ZINC001167476467 1383646035 /nfs/dbraw/zinc/64/60/35/1383646035.db2.gz XMTZICLALNGVMT-GOSISDBHSA-N 2 1 342.487 3.254 20 0 EGADMP Cc1cccc([C@@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001167505260 1383653269 /nfs/dbraw/zinc/65/32/69/1383653269.db2.gz RWBLESVPFZOFEN-UNMCSNQZSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1cccc([C@@H](O)C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001167505260 1383653272 /nfs/dbraw/zinc/65/32/72/1383653272.db2.gz RWBLESVPFZOFEN-UNMCSNQZSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1cccc([C@@H](O)C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001167505260 1383653273 /nfs/dbraw/zinc/65/32/73/1383653273.db2.gz RWBLESVPFZOFEN-UNMCSNQZSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1cccc([C@@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001167505260 1383653276 /nfs/dbraw/zinc/65/32/76/1383653276.db2.gz RWBLESVPFZOFEN-UNMCSNQZSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001167636330 1383694846 /nfs/dbraw/zinc/69/48/46/1383694846.db2.gz SKIYWOGYDSIULN-QUCCMNQESA-N 2 1 345.531 3.415 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2C)CC1 ZINC001167640305 1383695735 /nfs/dbraw/zinc/69/57/35/1383695735.db2.gz MGOJPMXYNQXUGF-GOSISDBHSA-N 2 1 345.531 3.274 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001167812864 1383746010 /nfs/dbraw/zinc/74/60/10/1383746010.db2.gz ZVWBRXRAFXQYIK-SFHVURJKSA-N 2 1 339.568 3.277 20 0 EGADMP CC[C@@H]1[N@H+]([C@H](C)CCC[NH+](CC)CC)CCC[C@]12CCC(=O)N2C ZINC001167823159 1383749430 /nfs/dbraw/zinc/74/94/30/1383749430.db2.gz JOKBTKXADJXKHF-HBFSDRIKSA-N 2 1 337.552 3.362 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001167826962 1383750024 /nfs/dbraw/zinc/75/00/24/1383750024.db2.gz SJWCRDWQHPEJAZ-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2nccnc2C)C1 ZINC001167833917 1383753140 /nfs/dbraw/zinc/75/31/40/1383753140.db2.gz FWAPGLVZNQOYAO-SJLPKXTDSA-N 2 1 334.508 3.139 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](Oc2ccc(OC)cn2)C1 ZINC001167833907 1383753238 /nfs/dbraw/zinc/75/32/38/1383753238.db2.gz FQSSMMTZKUEVNY-MJGOQNOKSA-N 2 1 349.519 3.444 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc(OC)cn2)C1 ZINC001167835559 1383753818 /nfs/dbraw/zinc/75/38/18/1383753818.db2.gz RHHVYZRVNRUCBS-SJLPKXTDSA-N 2 1 335.492 3.054 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(N2CCC(F)CC2)CC1 ZINC001167837205 1383755255 /nfs/dbraw/zinc/75/52/55/1383755255.db2.gz JFZAUFNOXDUUEG-KRWDZBQOSA-N 2 1 327.532 3.395 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC001167838022 1383756080 /nfs/dbraw/zinc/75/60/80/1383756080.db2.gz OYPYOSWWZMRNAG-INIZCTEOSA-N 2 1 337.533 3.016 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC001167841970 1383756785 /nfs/dbraw/zinc/75/67/85/1383756785.db2.gz VGTOAHDMWWIXDL-SFHVURJKSA-N 2 1 325.541 3.077 20 0 EGADMP O[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167967145 1383781512 /nfs/dbraw/zinc/78/15/12/1383781512.db2.gz DMTTWYBDWUANHO-XOGABFJHSA-N 2 1 326.484 3.030 20 0 EGADMP O[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967145 1383781514 /nfs/dbraw/zinc/78/15/14/1383781514.db2.gz DMTTWYBDWUANHO-XOGABFJHSA-N 2 1 326.484 3.030 20 0 EGADMP [NH3+]CC(=O)c1cn(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c2ccccc12 ZINC001167966565 1383781671 /nfs/dbraw/zinc/78/16/71/1383781671.db2.gz WEJRJRFQVSVNGI-SJPCQFCGSA-N 2 1 337.467 3.361 20 0 EGADMP [NH3+]CC(=O)c1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccccc12 ZINC001167966565 1383781675 /nfs/dbraw/zinc/78/16/75/1383781675.db2.gz WEJRJRFQVSVNGI-SJPCQFCGSA-N 2 1 337.467 3.361 20 0 EGADMP COc1cc2c(cc1C)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167969009 1383782458 /nfs/dbraw/zinc/78/24/58/1383782458.db2.gz YCURNQIMLWQKCK-UDEWTMQYSA-N 2 1 340.511 3.466 20 0 EGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(NC1CC[NH+](C3CCCC3)CC1)C2 ZINC001167970438 1383782663 /nfs/dbraw/zinc/78/26/63/1383782663.db2.gz LBNSGAQSNFNMOL-VCSGRIEYSA-N 2 1 331.548 3.388 20 0 EGADMP Clc1ccnc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167977908 1383785446 /nfs/dbraw/zinc/78/54/46/1383785446.db2.gz IZDDIADPYAWAMS-ALOPSCKCSA-N 2 1 335.879 3.109 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2COC(C)(C)OC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168018814 1383798542 /nfs/dbraw/zinc/79/85/42/1383798542.db2.gz FEDXCHLTCDETSN-ALXJQNPVSA-N 2 1 332.488 3.169 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2COC(C)(C)OC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018814 1383798544 /nfs/dbraw/zinc/79/85/44/1383798544.db2.gz FEDXCHLTCDETSN-ALXJQNPVSA-N 2 1 332.488 3.169 20 0 EGADMP C[C@@H]1CC(NCC[NH+]2CCC(F)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168025301 1383799175 /nfs/dbraw/zinc/79/91/75/1383799175.db2.gz JHLGILHKWPSCBN-QZTJIDSGSA-N 2 1 347.522 3.452 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168028905 1383800371 /nfs/dbraw/zinc/80/03/71/1383800371.db2.gz AEARBTIXFVGXKV-RBUKOAKNSA-N 2 1 335.536 3.070 20 0 EGADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168066498 1383809157 /nfs/dbraw/zinc/80/91/57/1383809157.db2.gz PDSBDILXEJDNEE-ZZEDZQHJSA-N 2 1 327.516 3.206 20 0 EGADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168066498 1383809160 /nfs/dbraw/zinc/80/91/60/1383809160.db2.gz PDSBDILXEJDNEE-ZZEDZQHJSA-N 2 1 327.516 3.206 20 0 EGADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168066498 1383809161 /nfs/dbraw/zinc/80/91/61/1383809161.db2.gz PDSBDILXEJDNEE-ZZEDZQHJSA-N 2 1 327.516 3.206 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NCCC2(C[NH2+]CCC3CCCCCC3)CC2)C1 ZINC001168136648 1383824835 /nfs/dbraw/zinc/82/48/35/1383824835.db2.gz JOGDQFBONJNTPX-LJQANCHMSA-N 2 1 349.563 3.175 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001168154320 1383829117 /nfs/dbraw/zinc/82/91/17/1383829117.db2.gz SUYRSWVXLJFEGK-UHFFFAOYSA-N 2 1 346.519 3.038 20 0 EGADMP O=c1ccc(CNc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)c[nH]1 ZINC001168299211 1383866420 /nfs/dbraw/zinc/86/64/20/1383866420.db2.gz BGUUDKVVPCFGAU-MRXNPFEDSA-N 2 1 337.427 3.064 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168346257 1383880269 /nfs/dbraw/zinc/88/02/69/1383880269.db2.gz YUOPKFDTMAHCCK-IBGZPJMESA-N 2 1 345.531 3.356 20 0 EGADMP C(O[C@@H]1CCC[C@@H]2C[N@H+](C3CC[NH+](CC4CC4)CC3)C[C@@H]21)C1CC1 ZINC001168377411 1383888948 /nfs/dbraw/zinc/88/89/48/1383888948.db2.gz GPEMNRDAQLBCIX-HLAWJBBLSA-N 2 1 332.532 3.388 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3CN(C4CC[NH+](CC5CC5)CC4)C[C@H]32)cc1 ZINC001168391696 1383893210 /nfs/dbraw/zinc/89/32/10/1383893210.db2.gz NOEIMDZNPMUEFC-IFMALSPDSA-N 2 1 339.527 3.067 20 0 EGADMP c1ccc(CN2CC[C@@H]3C[N@@H+](C4CC[NH+](CC5CC5)CC4)C[C@H]32)cc1 ZINC001168391696 1383893215 /nfs/dbraw/zinc/89/32/15/1383893215.db2.gz NOEIMDZNPMUEFC-IFMALSPDSA-N 2 1 339.527 3.067 20 0 EGADMP c1ccc(CN2CC[C@@H]3C[N@H+](C4CC[NH+](CC5CC5)CC4)C[C@H]32)cc1 ZINC001168391696 1383893218 /nfs/dbraw/zinc/89/32/18/1383893218.db2.gz NOEIMDZNPMUEFC-IFMALSPDSA-N 2 1 339.527 3.067 20 0 EGADMP C[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001168454853 1383911304 /nfs/dbraw/zinc/91/13/04/1383911304.db2.gz BGHWEDXYKMEQJI-QGZVFWFLSA-N 2 1 342.458 3.379 20 0 EGADMP COc1ccc([C@@H]2C[C@H]([NH2+]CC[C@H]3CCC[N@@H+](C)C3)CCO2)cc1 ZINC001168591184 1383943997 /nfs/dbraw/zinc/94/39/97/1383943997.db2.gz UDLUZZYTWQOEJP-POAQFYNOSA-N 2 1 332.488 3.237 20 0 EGADMP Cc1nccn1CCC[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC001308002296 1384071137 /nfs/dbraw/zinc/07/11/37/1384071137.db2.gz CNHZHKXJCXUQFM-GOSISDBHSA-N 2 1 326.444 3.007 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC001308002296 1384071140 /nfs/dbraw/zinc/07/11/40/1384071140.db2.gz CNHZHKXJCXUQFM-GOSISDBHSA-N 2 1 326.444 3.007 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC001308002296 1384071146 /nfs/dbraw/zinc/07/11/46/1384071146.db2.gz CNHZHKXJCXUQFM-GOSISDBHSA-N 2 1 326.444 3.007 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C2 ZINC001169081267 1384103988 /nfs/dbraw/zinc/10/39/88/1384103988.db2.gz PMZLEKCRXAWYCV-VIQHNZTISA-N 2 1 337.508 3.037 20 0 EGADMP Cc1c(F)cccc1CN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169108531 1384108191 /nfs/dbraw/zinc/10/81/91/1384108191.db2.gz ARZLZYHKJVWRGC-OWZKRDHZSA-N 2 1 345.506 3.313 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH3+])(c3cccc(Cl)c3)CC1)C2 ZINC001169115292 1384109018 /nfs/dbraw/zinc/10/90/18/1384109018.db2.gz IFOMFLGEAARLPP-BCDXTJNWSA-N 2 1 333.907 3.215 20 0 EGADMP CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169117373 1384109175 /nfs/dbraw/zinc/10/91/75/1384109175.db2.gz ZLYSQWHNQFFQSA-WARAAXDBSA-N 2 1 327.516 3.384 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169117373 1384109177 /nfs/dbraw/zinc/10/91/77/1384109177.db2.gz ZLYSQWHNQFFQSA-WARAAXDBSA-N 3 1 327.516 3.384 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169117373 1384109179 /nfs/dbraw/zinc/10/91/79/1384109179.db2.gz ZLYSQWHNQFFQSA-WARAAXDBSA-N 3 1 327.516 3.384 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169117373 1384109180 /nfs/dbraw/zinc/10/91/80/1384109180.db2.gz ZLYSQWHNQFFQSA-WARAAXDBSA-N 3 1 327.516 3.384 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169117373 1384109182 /nfs/dbraw/zinc/10/91/82/1384109182.db2.gz ZLYSQWHNQFFQSA-WARAAXDBSA-N 3 1 327.516 3.384 20 0 EGADMP C[N@@H+](CCc1cccc(C(F)(F)F)n1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124522 1384110446 /nfs/dbraw/zinc/11/04/46/1384110446.db2.gz DMDSTPXAVRFDRS-QDMKHBRRSA-N 2 1 327.394 3.200 20 0 EGADMP C[NH+](CCc1cccc(C(F)(F)F)n1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124522 1384110447 /nfs/dbraw/zinc/11/04/47/1384110447.db2.gz DMDSTPXAVRFDRS-QDMKHBRRSA-N 2 1 327.394 3.200 20 0 EGADMP C[NH+](CCc1cccc(C(F)(F)F)n1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124522 1384110449 /nfs/dbraw/zinc/11/04/49/1384110449.db2.gz DMDSTPXAVRFDRS-QDMKHBRRSA-N 2 1 327.394 3.200 20 0 EGADMP CC(=O)C1(c2ccccc2)CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169142590 1384113277 /nfs/dbraw/zinc/11/32/77/1384113277.db2.gz DHJNOHALNJMTSB-PMOLBWCYSA-N 2 1 326.484 3.234 20 0 EGADMP CC(=O)C1(c2ccccc2)CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169142590 1384113280 /nfs/dbraw/zinc/11/32/80/1384113280.db2.gz DHJNOHALNJMTSB-PMOLBWCYSA-N 2 1 326.484 3.234 20 0 EGADMP CCc1nn(C)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001308283383 1384115958 /nfs/dbraw/zinc/11/59/58/1384115958.db2.gz XAVBOGXLJVWLRH-KBXCAEBGSA-N 2 1 332.517 3.217 20 0 EGADMP CCc1nn(C)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001308283383 1384115961 /nfs/dbraw/zinc/11/59/61/1384115961.db2.gz XAVBOGXLJVWLRH-KBXCAEBGSA-N 2 1 332.517 3.217 20 0 EGADMP CC[NH+]1CCC(CC2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC001169153616 1384116312 /nfs/dbraw/zinc/11/63/12/1384116312.db2.gz KKAUWIFTFZUUAN-WKCHPHFGSA-N 3 1 333.564 3.446 20 0 EGADMP CC[NH+]1CCC(CC2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)N4C)CC2)CC1 ZINC001169153616 1384116313 /nfs/dbraw/zinc/11/63/13/1384116313.db2.gz KKAUWIFTFZUUAN-WKCHPHFGSA-N 2 1 333.564 3.446 20 0 EGADMP CC[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](CC)CC1 ZINC001169263585 1384129299 /nfs/dbraw/zinc/12/92/99/1384129299.db2.gz BKHZZOBYWANHIJ-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP CC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](CC)CC1 ZINC001169263585 1384129301 /nfs/dbraw/zinc/12/93/01/1384129301.db2.gz BKHZZOBYWANHIJ-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169275208 1384130627 /nfs/dbraw/zinc/13/06/27/1384130627.db2.gz OIMNBIFNWXXSRA-KKXNLOMOSA-N 2 1 344.499 3.476 20 0 EGADMP O=C(OC1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1)c1ccccc1 ZINC001169279603 1384131494 /nfs/dbraw/zinc/13/14/94/1384131494.db2.gz FWJIEUMOOLWJAA-UHFFFAOYSA-N 2 1 342.483 3.371 20 0 EGADMP CC[NH+]1CCC(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001308896527 1384157712 /nfs/dbraw/zinc/15/77/12/1384157712.db2.gz BDVLNGJMBRFAIE-GHTZIAJQSA-N 3 1 329.532 3.076 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169799943 1384187422 /nfs/dbraw/zinc/18/74/22/1384187422.db2.gz YSHFEZSINSUIJZ-AZUAARDMSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169810596 1384188079 /nfs/dbraw/zinc/18/80/79/1384188079.db2.gz RGGZCCQOEDKTNB-PKOBYXMFSA-N 2 1 337.552 3.316 20 0 EGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001170456098 1384324318 /nfs/dbraw/zinc/32/43/18/1384324318.db2.gz OMYPTPFARWLWPV-MRXNPFEDSA-N 2 1 330.472 3.295 20 0 EGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001170456098 1384324321 /nfs/dbraw/zinc/32/43/21/1384324321.db2.gz OMYPTPFARWLWPV-MRXNPFEDSA-N 2 1 330.472 3.295 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001170741352 1384376006 /nfs/dbraw/zinc/37/60/06/1384376006.db2.gz DWVMHGIDNPZZKK-ICSRJNTNSA-N 2 1 345.531 3.324 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001170741353 1384376169 /nfs/dbraw/zinc/37/61/69/1384376169.db2.gz DWVMHGIDNPZZKK-QUCCMNQESA-N 2 1 345.531 3.324 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC001170784159 1384384636 /nfs/dbraw/zinc/38/46/36/1384384636.db2.gz FNLQOUASTADORL-QUCCMNQESA-N 2 1 345.531 3.498 20 0 EGADMP CC/C=C/CC[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001170868166 1384401327 /nfs/dbraw/zinc/40/13/27/1384401327.db2.gz PWIXMZVPCZXYNM-OVKVCFKUSA-N 2 1 331.504 3.132 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH2+]C[C@H](C)CC(C)C)c1ccccc1 ZINC001170868214 1384401483 /nfs/dbraw/zinc/40/14/83/1384401483.db2.gz QYOQSSKDAYQFHS-QUCCMNQESA-N 2 1 347.547 3.458 20 0 EGADMP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170870822 1384401959 /nfs/dbraw/zinc/40/19/59/1384401959.db2.gz KAOIIUAIXVAYRC-HOHRJFBBSA-N 2 1 337.552 3.338 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170871662 1384402329 /nfs/dbraw/zinc/40/23/29/1384402329.db2.gz QLCCUDJBGNMGMV-NZSAHSFTSA-N 2 1 339.568 3.418 20 0 EGADMP CC[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccc1C(C)C)[NH+](C)C ZINC001316607025 1384476049 /nfs/dbraw/zinc/47/60/49/1384476049.db2.gz YUOGQIUQTYYIDU-QUCCMNQESA-N 2 1 345.531 3.183 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC2CCC2)C1 ZINC001171236133 1384476698 /nfs/dbraw/zinc/47/66/98/1384476698.db2.gz LHJXWNKAZKDINH-PKOBYXMFSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001171238893 1384476974 /nfs/dbraw/zinc/47/69/74/1384476974.db2.gz ZBYSRTODFRQSIO-MOPGFXCFSA-N 2 1 339.568 3.275 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171248651 1384478023 /nfs/dbraw/zinc/47/80/23/1384478023.db2.gz WXHWEYUVQSVNNC-AEFFLSMTSA-N 2 1 346.519 3.215 20 0 EGADMP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC001171261196 1384481657 /nfs/dbraw/zinc/48/16/57/1384481657.db2.gz RLITYMWDEJBBCS-ZWKOTPCHSA-N 2 1 345.531 3.497 20 0 EGADMP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](CNC(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001316630836 1384494044 /nfs/dbraw/zinc/49/40/44/1384494044.db2.gz ZGZJEPJAQVHGBH-NCXUSEDFSA-N 2 1 349.563 3.172 20 0 EGADMP COc1ccc(Cl)c2c1C[C@@H]([N@@H+]1CC[C@@]3(CC[NH+](C)C3)C1)CC2 ZINC001171325625 1384495370 /nfs/dbraw/zinc/49/53/70/1384495370.db2.gz BPQZMIPSPMDNIR-IFXJQAMLSA-N 2 1 334.891 3.234 20 0 EGADMP COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CC[C@@]3(CC[NH+](C)C3)C1)CC2 ZINC001171325625 1384495374 /nfs/dbraw/zinc/49/53/74/1384495374.db2.gz BPQZMIPSPMDNIR-IFXJQAMLSA-N 2 1 334.891 3.234 20 0 EGADMP COc1ccc(Cl)c2c1C[C@@H]([NH+]1CC[C@@]3(CC[N@H+](C)C3)C1)CC2 ZINC001171325625 1384495376 /nfs/dbraw/zinc/49/53/76/1384495376.db2.gz BPQZMIPSPMDNIR-IFXJQAMLSA-N 2 1 334.891 3.234 20 0 EGADMP COc1ccc(Cl)c2c1C[C@@H]([NH+]1CC[C@@]3(CC[N@@H+](C)C3)C1)CC2 ZINC001171325625 1384495378 /nfs/dbraw/zinc/49/53/78/1384495378.db2.gz BPQZMIPSPMDNIR-IFXJQAMLSA-N 2 1 334.891 3.234 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171547534 1384559436 /nfs/dbraw/zinc/55/94/36/1384559436.db2.gz UVVJCXZTJNJHBL-SJLPKXTDSA-N 2 1 325.541 3.172 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CCc1ccccc1 ZINC001171586592 1384572378 /nfs/dbraw/zinc/57/23/78/1384572378.db2.gz QFZGHYODFLMVTP-GOSISDBHSA-N 2 1 347.547 3.224 20 0 EGADMP COCc1cccc([C@@H](CO)[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171628684 1384585119 /nfs/dbraw/zinc/58/51/19/1384585119.db2.gz GIPAVHCDAVDKOX-GOSISDBHSA-N 2 1 334.504 3.107 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)CC1(C)C ZINC001171638451 1384588098 /nfs/dbraw/zinc/58/80/98/1384588098.db2.gz YGPZVNPYGGRGMP-KRWDZBQOSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H]1[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CCC[C@]12CCC(=O)N2 ZINC001171637749 1384588132 /nfs/dbraw/zinc/58/81/32/1384588132.db2.gz OHCTUCXHPPYOIU-JXFKEZNVSA-N 2 1 335.536 3.161 20 0 EGADMP COC(=O)c1ccc2c(c1)C[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001171639998 1384588704 /nfs/dbraw/zinc/58/87/04/1384588704.db2.gz YGECATJKNBVUGG-UHFFFAOYSA-N 2 1 344.499 3.483 20 0 EGADMP COC(=O)c1ccc2c(c1)C[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001171639998 1384588713 /nfs/dbraw/zinc/58/87/13/1384588713.db2.gz YGECATJKNBVUGG-UHFFFAOYSA-N 2 1 344.499 3.483 20 0 EGADMP Cc1cncnc1O[C@@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641906 1384589947 /nfs/dbraw/zinc/58/99/47/1384589947.db2.gz VQGMBCGWNOQOHL-QGZVFWFLSA-N 2 1 346.519 3.280 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC001171731368 1384617301 /nfs/dbraw/zinc/61/73/01/1384617301.db2.gz FDSZNGHMULHBSE-SFHVURJKSA-N 2 1 337.483 3.105 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)CN1Cc1ccccc1 ZINC001171739740 1384620754 /nfs/dbraw/zinc/62/07/54/1384620754.db2.gz GARXYAASIQKNIJ-HMXCVIKNSA-N 2 1 329.532 3.490 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171749178 1384625174 /nfs/dbraw/zinc/62/51/74/1384625174.db2.gz IRSOBHWLVPPGOU-NFBKMPQASA-N 2 1 349.522 3.467 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171749178 1384625176 /nfs/dbraw/zinc/62/51/76/1384625176.db2.gz IRSOBHWLVPPGOU-NFBKMPQASA-N 2 1 349.522 3.467 20 0 EGADMP C[C@@H]1C[C@H](N2CC[NH+](CC3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171763201 1384628382 /nfs/dbraw/zinc/62/83/82/1384628382.db2.gz OTKIATNODJLMBE-KNQAVFIVSA-N 2 1 341.543 3.457 20 0 EGADMP CC(C)N([C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001171766737 1384630276 /nfs/dbraw/zinc/63/02/76/1384630276.db2.gz HCBIOLSCOWQVEH-GHTZIAJQSA-N 2 1 329.532 3.454 20 0 EGADMP Fc1cccc2c1C[C@H]([NH+]1C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C1)C2 ZINC001171797414 1384641516 /nfs/dbraw/zinc/64/15/16/1384641516.db2.gz WBGZRCBQNZBHCK-BRWVUGGUSA-N 2 1 342.483 3.418 20 0 EGADMP Cc1ccc[nH+]c1N([C@H]1Cc2cccc(F)c2C1)C1CC[NH2+]CC1 ZINC001171812324 1384646617 /nfs/dbraw/zinc/64/66/17/1384646617.db2.gz NPOKYQSLRIGLRD-KRWDZBQOSA-N 2 1 325.431 3.255 20 0 EGADMP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171816374 1384649032 /nfs/dbraw/zinc/64/90/32/1384649032.db2.gz HHPLREPIFKNAMT-TUYSUELWSA-N 2 1 334.508 3.203 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001316880972 1384666236 /nfs/dbraw/zinc/66/62/36/1384666236.db2.gz OVSRERGAALQZHQ-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001171918894 1384682291 /nfs/dbraw/zinc/68/22/91/1384682291.db2.gz TYSZHVIEOONFQO-KRWDZBQOSA-N 2 1 325.541 3.316 20 0 EGADMP CCN1CC[C@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001172029958 1384711739 /nfs/dbraw/zinc/71/17/39/1384711739.db2.gz GMNSCQNLGHSISF-FHWLQOOXSA-N 2 1 335.536 3.150 20 0 EGADMP Cc1ncncc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067982 1384715807 /nfs/dbraw/zinc/71/58/07/1384715807.db2.gz ILWDYUYBAQVYFH-MZADTFQBSA-N 2 1 336.483 3.460 20 0 EGADMP Cc1ncncc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067982 1384715810 /nfs/dbraw/zinc/71/58/10/1384715810.db2.gz ILWDYUYBAQVYFH-MZADTFQBSA-N 2 1 336.483 3.460 20 0 EGADMP CC1(O)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172069602 1384717759 /nfs/dbraw/zinc/71/77/59/1384717759.db2.gz RPUXIJOLKURKKV-PMOLBWCYSA-N 2 1 328.500 3.419 20 0 EGADMP CC1(O)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172069602 1384717764 /nfs/dbraw/zinc/71/77/64/1384717764.db2.gz RPUXIJOLKURKKV-PMOLBWCYSA-N 2 1 328.500 3.419 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CCCC24COC4)C3)cc1 ZINC001172075376 1384719301 /nfs/dbraw/zinc/71/93/01/1384719301.db2.gz QHJBCWRAOCUEMJ-ACDBMABISA-N 2 1 326.484 3.437 20 0 EGADMP C[NH+](C)C1(C)CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172076316 1384720951 /nfs/dbraw/zinc/72/09/51/1384720951.db2.gz XTOSSVVEZWTHSR-PMOLBWCYSA-N 2 1 327.516 3.208 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC([NH3+])(c3ccc(F)cc3)CC1)C2 ZINC001172115228 1384731281 /nfs/dbraw/zinc/73/12/81/1384731281.db2.gz SKABBYOKLFPQBV-REPLKXPHSA-N 2 1 331.479 3.091 20 0 EGADMP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[NH+]3[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)o1 ZINC001172119395 1384732510 /nfs/dbraw/zinc/73/25/10/1384732510.db2.gz VBDHNDHCTICJPB-CPDPWVEUSA-N 2 1 343.515 3.252 20 0 EGADMP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)o1 ZINC001172119395 1384732513 /nfs/dbraw/zinc/73/25/13/1384732513.db2.gz VBDHNDHCTICJPB-CPDPWVEUSA-N 2 1 343.515 3.252 20 0 EGADMP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)o1 ZINC001172119395 1384732519 /nfs/dbraw/zinc/73/25/19/1384732519.db2.gz VBDHNDHCTICJPB-CPDPWVEUSA-N 2 1 343.515 3.252 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172121648 1384735072 /nfs/dbraw/zinc/73/50/72/1384735072.db2.gz RQOQNOVQYRYNPN-XLSPSMHOSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172121648 1384735073 /nfs/dbraw/zinc/73/50/73/1384735073.db2.gz RQOQNOVQYRYNPN-XLSPSMHOSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172121648 1384735075 /nfs/dbraw/zinc/73/50/75/1384735075.db2.gz RQOQNOVQYRYNPN-XLSPSMHOSA-N 2 1 349.519 3.087 20 0 EGADMP COc1cc2c(cc1OC)[C@@H](C[N@H+](C)[C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172127607 1384736043 /nfs/dbraw/zinc/73/60/43/1384736043.db2.gz JVBGLYDHRSTQDB-ZJPYXAASSA-N 2 1 344.499 3.291 20 0 EGADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)[C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172127607 1384736047 /nfs/dbraw/zinc/73/60/47/1384736047.db2.gz JVBGLYDHRSTQDB-ZJPYXAASSA-N 2 1 344.499 3.291 20 0 EGADMP COc1cc2c(cc1OC)[C@@H](C[NH+](C)[C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172127607 1384736052 /nfs/dbraw/zinc/73/60/52/1384736052.db2.gz JVBGLYDHRSTQDB-ZJPYXAASSA-N 2 1 344.499 3.291 20 0 EGADMP COc1cc2c(cc1OC)[C@@H](C[NH+](C)[C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172127607 1384736059 /nfs/dbraw/zinc/73/60/59/1384736059.db2.gz JVBGLYDHRSTQDB-ZJPYXAASSA-N 2 1 344.499 3.291 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC001172127112 1384736235 /nfs/dbraw/zinc/73/62/35/1384736235.db2.gz GXQSPBNAIFUHPK-ITBHCLRTSA-N 2 1 339.527 3.208 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC001172127112 1384736237 /nfs/dbraw/zinc/73/62/37/1384736237.db2.gz GXQSPBNAIFUHPK-ITBHCLRTSA-N 2 1 339.527 3.208 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC001172127112 1384736241 /nfs/dbraw/zinc/73/62/41/1384736241.db2.gz GXQSPBNAIFUHPK-ITBHCLRTSA-N 2 1 339.527 3.208 20 0 EGADMP Cc1cccc(O[C@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172132816 1384737865 /nfs/dbraw/zinc/73/78/65/1384737865.db2.gz OLUAQFSAMGAVPU-MANSERQUSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1cccc(O[C@H]2CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172132816 1384737870 /nfs/dbraw/zinc/73/78/70/1384737870.db2.gz OLUAQFSAMGAVPU-MANSERQUSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1cccc(O[C@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172132816 1384737878 /nfs/dbraw/zinc/73/78/78/1384737878.db2.gz OLUAQFSAMGAVPU-MANSERQUSA-N 2 1 329.488 3.249 20 0 EGADMP COCCCN1CCC([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172250254 1384756166 /nfs/dbraw/zinc/75/61/66/1384756166.db2.gz VNEVHHAZLAFLDU-UAPYVXQJSA-N 2 1 337.552 3.002 20 0 EGADMP COCCC[NH+]1CCC([N@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172250254 1384756169 /nfs/dbraw/zinc/75/61/69/1384756169.db2.gz VNEVHHAZLAFLDU-UAPYVXQJSA-N 3 1 337.552 3.002 20 0 EGADMP COCCC[NH+]1CCC([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172250254 1384756174 /nfs/dbraw/zinc/75/61/74/1384756174.db2.gz VNEVHHAZLAFLDU-UAPYVXQJSA-N 3 1 337.552 3.002 20 0 EGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC001172556333 1384811195 /nfs/dbraw/zinc/81/11/95/1384811195.db2.gz AKQNLUXKMUQSHP-QZTJIDSGSA-N 2 1 327.472 3.453 20 0 EGADMP CCCC[C@H]1C[C@@H]([NH2+]C(C)(C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172622852 1384821245 /nfs/dbraw/zinc/82/12/45/1384821245.db2.gz OLBBJXBIAFPVQS-GJZGRUSLSA-N 2 1 327.513 3.272 20 0 EGADMP CC(C)OC(=O)CC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172757174 1384844969 /nfs/dbraw/zinc/84/49/69/1384844969.db2.gz UIIRYVWYNZCVGG-MJGOQNOKSA-N 2 1 332.488 3.218 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001172794731 1384853825 /nfs/dbraw/zinc/85/38/25/1384853825.db2.gz GATMESQDFFATMT-YRXWBPOGSA-N 2 1 336.520 3.447 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001172794731 1384853828 /nfs/dbraw/zinc/85/38/28/1384853828.db2.gz GATMESQDFFATMT-YRXWBPOGSA-N 2 1 336.520 3.447 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001172794731 1384853829 /nfs/dbraw/zinc/85/38/29/1384853829.db2.gz GATMESQDFFATMT-YRXWBPOGSA-N 2 1 336.520 3.447 20 0 EGADMP CO[C@H]1CCC[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)C1 ZINC001172942394 1384884712 /nfs/dbraw/zinc/88/47/12/1384884712.db2.gz OURVHINMCPMPIQ-UXHICEINSA-N 2 1 343.515 3.327 20 0 EGADMP CO[C@H]1CCC[C@@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC001172941129 1384884761 /nfs/dbraw/zinc/88/47/61/1384884761.db2.gz DDVSDNZXTRVYJC-RTWAWAEBSA-N 2 1 328.500 3.467 20 0 EGADMP CO[C@H]1CCC[C@@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC001172941129 1384884764 /nfs/dbraw/zinc/88/47/64/1384884764.db2.gz DDVSDNZXTRVYJC-RTWAWAEBSA-N 2 1 328.500 3.467 20 0 EGADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001172952563 1384888393 /nfs/dbraw/zinc/88/83/93/1384888393.db2.gz GQPBODOBTBPTAP-IAGOWNOFSA-N 2 1 341.540 3.486 20 0 EGADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001172959360 1384890612 /nfs/dbraw/zinc/89/06/12/1384890612.db2.gz MYYHYVVNMDEQPP-HZPDHXFCSA-N 2 1 339.524 3.238 20 0 EGADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001172959360 1384890615 /nfs/dbraw/zinc/89/06/15/1384890615.db2.gz MYYHYVVNMDEQPP-HZPDHXFCSA-N 2 1 339.524 3.238 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](Oc3cccc(OC)n3)C2)CC1 ZINC001173113988 1384917964 /nfs/dbraw/zinc/91/79/64/1384917964.db2.gz RAPBPWZARQGLMM-DAWZGUTISA-N 2 1 347.503 3.196 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@H]2CCCC[N@H+]2CCCC2CCC2)CC1 ZINC001317176763 1384949065 /nfs/dbraw/zinc/94/90/65/1384949065.db2.gz OJXPFYLFVMXVID-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173412611 1384967869 /nfs/dbraw/zinc/96/78/69/1384967869.db2.gz SVDLXABSPDCLOA-GOSISDBHSA-N 2 1 349.906 3.019 20 0 EGADMP COC(=O)CCCC[C@@H](C)[NH+]1CCC([NH3+])(c2ccccc2OC)CC1 ZINC001173440460 1384970648 /nfs/dbraw/zinc/97/06/48/1384970648.db2.gz BUHLGRUDTZBMTM-MRXNPFEDSA-N 2 1 348.487 3.067 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001173636597 1384993678 /nfs/dbraw/zinc/99/36/78/1384993678.db2.gz ZMYUPULVQLMRSB-MAUKXSAKSA-N 2 1 348.462 3.197 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173715334 1385008002 /nfs/dbraw/zinc/00/80/02/1385008002.db2.gz VCZKJAUGFBYYHU-SNRMKQJTSA-N 2 1 332.488 3.385 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001317362864 1385105143 /nfs/dbraw/zinc/10/51/43/1385105143.db2.gz HVIFERPLZFDXJL-PMACEKPBSA-N 2 1 345.531 3.244 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175256891 1385230568 /nfs/dbraw/zinc/23/05/68/1385230568.db2.gz PVZJCEMHQJPUIP-ROUUACIJSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175263680 1385233338 /nfs/dbraw/zinc/23/33/38/1385233338.db2.gz QIJWKUCTTOGYIF-SJORKVTESA-N 2 1 337.552 3.029 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175264788 1385234681 /nfs/dbraw/zinc/23/46/81/1385234681.db2.gz WCCYMXVNLCSFJQ-ZWKOTPCHSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1 ZINC001175571442 1385334581 /nfs/dbraw/zinc/33/45/81/1385334581.db2.gz BJSMUUWVXIHLLZ-HKUYNNGSSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001175572750 1385335305 /nfs/dbraw/zinc/33/53/05/1385335305.db2.gz KWSBURPMEOUIEN-MSOLQXFVSA-N 2 1 325.541 3.170 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC[NH2+][C@H](CC)c2ccccc2)C1 ZINC001317623135 1385358337 /nfs/dbraw/zinc/35/83/37/1385358337.db2.gz LCBPKZHXNAINCH-VQTJNVASSA-N 2 1 345.531 3.308 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)c1ccccc1 ZINC001176022911 1385463565 /nfs/dbraw/zinc/46/35/65/1385463565.db2.gz DCMRZMXRCFMZBK-ROUUACIJSA-N 2 1 333.520 3.354 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176167027 1385500833 /nfs/dbraw/zinc/50/08/33/1385500833.db2.gz WFHWVBZBWHYLLC-QZTJIDSGSA-N 2 1 325.541 3.029 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176167028 1385500958 /nfs/dbraw/zinc/50/09/58/1385500958.db2.gz WFHWVBZBWHYLLC-ROUUACIJSA-N 2 1 325.541 3.029 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176165786 1385500969 /nfs/dbraw/zinc/50/09/69/1385500969.db2.gz OSABHXDQEIBIBJ-HKUYNNGSSA-N 2 1 335.536 3.093 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176165244 1385501069 /nfs/dbraw/zinc/50/10/69/1385501069.db2.gz KGGAFHUZJFNXBO-IRXDYDNUSA-N 2 1 325.541 3.029 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317805130 1385502551 /nfs/dbraw/zinc/50/25/51/1385502551.db2.gz JAVDFFKBSMJCMB-PKOBYXMFSA-N 2 1 345.531 3.236 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176564197 1385626574 /nfs/dbraw/zinc/62/65/74/1385626574.db2.gz MVQVHHZYIWRBJW-PKOBYXMFSA-N 2 1 349.563 3.173 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001176564850 1385626740 /nfs/dbraw/zinc/62/67/40/1385626740.db2.gz RXVPNTYBYPXQDK-UYAOXDASSA-N 2 1 345.531 3.020 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH2+]CCC1=CCCCC1 ZINC001176590542 1385634111 /nfs/dbraw/zinc/63/41/11/1385634111.db2.gz AMEPDGKWIDBDQQ-KRWDZBQOSA-N 2 1 346.519 3.347 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC2(CCC2)C1 ZINC001176590630 1385634446 /nfs/dbraw/zinc/63/44/46/1385634446.db2.gz CRPFBLAESDONQK-INIZCTEOSA-N 2 1 346.519 3.036 20 0 EGADMP Cc1cc(C)cc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001176752940 1385683322 /nfs/dbraw/zinc/68/33/22/1385683322.db2.gz BFUIZGZGCOJFJL-LJQANCHMSA-N 2 1 347.547 3.408 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001176753687 1385683712 /nfs/dbraw/zinc/68/37/12/1385683712.db2.gz KOLONRNLRRCMTH-QGZVFWFLSA-N 2 1 325.541 3.172 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176819793 1385713330 /nfs/dbraw/zinc/71/33/30/1385713330.db2.gz DEYGBDBYECAWFR-SFHVURJKSA-N 2 1 345.531 3.183 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176819793 1385713334 /nfs/dbraw/zinc/71/33/34/1385713334.db2.gz DEYGBDBYECAWFR-SFHVURJKSA-N 2 1 345.531 3.183 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001318484857 1385717429 /nfs/dbraw/zinc/71/74/29/1385717429.db2.gz ZTMUMVONXLJHLW-SFHVURJKSA-N 2 1 339.568 3.323 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(CC)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001318484857 1385717431 /nfs/dbraw/zinc/71/74/31/1385717431.db2.gz ZTMUMVONXLJHLW-SFHVURJKSA-N 2 1 339.568 3.323 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001318484857 1385717435 /nfs/dbraw/zinc/71/74/35/1385717435.db2.gz ZTMUMVONXLJHLW-SFHVURJKSA-N 2 1 339.568 3.323 20 0 EGADMP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@H](C)c1ccccc1Cl ZINC001318603595 1385788357 /nfs/dbraw/zinc/78/83/57/1385788357.db2.gz QAVANQGKYVOIDI-HIFRSBDPSA-N 2 1 348.878 3.091 20 0 EGADMP C[N@@H+](CCC(=O)NC1(C[NH2+]CC2CCC2)CCCC1)C1CCCCC1 ZINC001318644664 1385813109 /nfs/dbraw/zinc/81/31/09/1385813109.db2.gz JFIJLFRFXGVMFL-UHFFFAOYSA-N 2 1 349.563 3.460 20 0 EGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)ccc(Br)c2F)C1 ZINC001177318858 1385911837 /nfs/dbraw/zinc/91/18/37/1385911837.db2.gz FWUSIXWTHDZCQB-GFCCVEGCSA-N 2 1 329.257 3.328 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)ccc(Br)c2F)C1 ZINC001177318858 1385911839 /nfs/dbraw/zinc/91/18/39/1385911839.db2.gz FWUSIXWTHDZCQB-GFCCVEGCSA-N 2 1 329.257 3.328 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001177433304 1385954520 /nfs/dbraw/zinc/95/45/20/1385954520.db2.gz AZHDJHMBLLALDC-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP C[N@@H+](CC(=O)N1CCC2(CC[NH+](CC3CCC3)C2)CC1)CC(C)(C)C ZINC001319144659 1385978330 /nfs/dbraw/zinc/97/83/30/1385978330.db2.gz JDFCJGAKMFJROM-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC(=O)N1CCC2(CC[N@H+](CC3CCC3)C2)CC1)CC(C)(C)C ZINC001319144659 1385978333 /nfs/dbraw/zinc/97/83/33/1385978333.db2.gz JDFCJGAKMFJROM-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC(=O)N1CCC2(CC[N@@H+](CC3CCC3)C2)CC1)CC(C)(C)C ZINC001319144659 1385978334 /nfs/dbraw/zinc/97/83/34/1385978334.db2.gz JDFCJGAKMFJROM-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC001178045750 1386115712 /nfs/dbraw/zinc/11/57/12/1386115712.db2.gz UMUICFJDSGYQTJ-VQIMIIECSA-N 2 1 349.494 3.247 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)ccc1F ZINC001178294832 1386182326 /nfs/dbraw/zinc/18/23/26/1386182326.db2.gz CGXWORQNOOCZRH-FQEVSTJZSA-N 2 1 342.458 3.381 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NC2(C[NH2+]CC3CCCCCC3)CCCC2)C1 ZINC001698634393 1406278659 /nfs/dbraw/zinc/27/86/59/1406278659.db2.gz PCSRHWRUTPINGG-GOSISDBHSA-N 2 1 349.563 3.317 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CCCC2CCC2)CC[N@H+]1C ZINC001178523345 1386241276 /nfs/dbraw/zinc/24/12/76/1386241276.db2.gz WDBYSDWHKMIYJH-IEBWSBKVSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCCCF ZINC001178634242 1386265277 /nfs/dbraw/zinc/26/52/77/1386265277.db2.gz PZGUQKSJCBQITD-SFHVURJKSA-N 2 1 343.531 3.267 20 0 EGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001178634529 1386266268 /nfs/dbraw/zinc/26/62/68/1386266268.db2.gz YJGMQAUQHSLQKD-SFFCAUCYSA-N 2 1 337.552 3.483 20 0 EGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001178698538 1386281448 /nfs/dbraw/zinc/28/14/48/1386281448.db2.gz KUKBLMGPGXLUSC-JXCVUKRWSA-N 2 1 346.519 3.383 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001178705112 1386283858 /nfs/dbraw/zinc/28/38/58/1386283858.db2.gz FAUTXEKBYLBIJR-SFHVURJKSA-N 2 1 339.568 3.419 20 0 EGADMP C[N@@H+](CC(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C1CCC1 ZINC001178705364 1386283880 /nfs/dbraw/zinc/28/38/80/1386283880.db2.gz NRXYRABVPVADBN-CEXWTWQISA-N 2 1 349.563 3.173 20 0 EGADMP CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707714 1386285270 /nfs/dbraw/zinc/28/52/70/1386285270.db2.gz NSCUUPQABXEWRE-SCTDSRPQSA-N 2 1 335.536 3.020 20 0 EGADMP O=C(NCCCCCC[NH2+]CCC1CC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178811698 1386315320 /nfs/dbraw/zinc/31/53/20/1386315320.db2.gz ZBXOXOCQRDDLLR-RTBURBONSA-N 2 1 335.536 3.070 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccc(F)cc1 ZINC001178827913 1386320244 /nfs/dbraw/zinc/32/02/44/1386320244.db2.gz OJMJKBPYLHADOL-IBGZPJMESA-N 2 1 349.494 3.076 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001178832105 1386321246 /nfs/dbraw/zinc/32/12/46/1386321246.db2.gz DNVRLOWERWCPTN-IBGZPJMESA-N 2 1 337.552 3.317 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]Cc1cccc(C)c1 ZINC001178853726 1386329450 /nfs/dbraw/zinc/32/94/50/1386329450.db2.gz PUCHZJCNQQISEY-UHFFFAOYSA-N 2 1 347.547 3.492 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001178853656 1386329593 /nfs/dbraw/zinc/32/95/93/1386329593.db2.gz MXWHPYQDJFJNHV-UHFFFAOYSA-N 2 1 325.541 3.173 20 0 EGADMP C[N@@H+](CCC(=O)NCCCCCC[NH2+]CCCF)C1CCCCC1 ZINC001179134741 1386408110 /nfs/dbraw/zinc/40/81/10/1386408110.db2.gz SSRSZMQJMDOQAR-UHFFFAOYSA-N 2 1 343.531 3.267 20 0 EGADMP CC(C)[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001179361513 1386463313 /nfs/dbraw/zinc/46/33/13/1386463313.db2.gz IDONUWYEPBDDFL-IBGZPJMESA-N 2 1 337.552 3.458 20 0 EGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001179398686 1386475146 /nfs/dbraw/zinc/47/51/46/1386475146.db2.gz MHTURVUZSWJWBH-OTWHNJEPSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1c(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc2c[nH+]cn21 ZINC001320101254 1386513124 /nfs/dbraw/zinc/51/31/24/1386513124.db2.gz BTSOLMZDZDJEST-GDBMZVCRSA-N 2 1 340.471 3.026 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001179580308 1386521679 /nfs/dbraw/zinc/52/16/79/1386521679.db2.gz DKFQQVASEQPPCK-SFHVURJKSA-N 2 1 335.536 3.237 20 0 EGADMP CCCCCC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001179580857 1386522315 /nfs/dbraw/zinc/52/23/15/1386522315.db2.gz STIHUQMVEAAOFW-GOSISDBHSA-N 2 1 325.541 3.317 20 0 EGADMP Cc1ccc(C[NH2+]CCCCCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001179585692 1386523804 /nfs/dbraw/zinc/52/38/04/1386523804.db2.gz JLQYCGAAEULXAL-LJQANCHMSA-N 2 1 345.531 3.103 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)[C@@H]1C ZINC001179978902 1386656806 /nfs/dbraw/zinc/65/68/06/1386656806.db2.gz MQMOFSZMZBSPMP-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)[C@@H]1C ZINC001179983284 1386658222 /nfs/dbraw/zinc/65/82/22/1386658222.db2.gz UAQYIIZHHFVVIF-ICSRJNTNSA-N 2 1 345.531 3.033 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCCCCCC[NH2+]CC2CCCCC2)C1 ZINC001180064946 1386685285 /nfs/dbraw/zinc/68/52/85/1386685285.db2.gz BBRKIKXKJNCVBJ-IBGZPJMESA-N 2 1 337.552 3.175 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CC1CC(C)C1 ZINC001180121777 1386704026 /nfs/dbraw/zinc/70/40/26/1386704026.db2.gz WEITUQLLJBBRFJ-UHFFFAOYSA-N 2 1 325.541 3.031 20 0 EGADMP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1F ZINC001180264991 1386750569 /nfs/dbraw/zinc/75/05/69/1386750569.db2.gz MDQYFLOCINFJEY-IAGOWNOFSA-N 2 1 349.494 3.105 20 0 EGADMP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001181793669 1387056197 /nfs/dbraw/zinc/05/61/97/1387056197.db2.gz YYRWGTZYDSQLJK-XRPLEBEVSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCC[N@@H+](C)CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001181867338 1387066975 /nfs/dbraw/zinc/06/69/75/1387066975.db2.gz UAWMBQHAMFVMIZ-FQEVSTJZSA-N 2 1 345.531 3.452 20 0 EGADMP Cc1nccn1-c1ccncc1NC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC001322159600 1387081591 /nfs/dbraw/zinc/08/15/91/1387081591.db2.gz YFBQCRVOUXOMMK-UTKZUKDTSA-N 2 1 344.418 3.418 20 0 EGADMP CC(C)c1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001322175321 1387088835 /nfs/dbraw/zinc/08/88/35/1387088835.db2.gz JQXJHYPXGKYCEI-QGZVFWFLSA-N 2 1 345.531 3.231 20 0 EGADMP CC[NH+]1CCC(CC2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)CC1 ZINC001181997447 1387089637 /nfs/dbraw/zinc/08/96/37/1387089637.db2.gz ZZEIVVGFRADVNQ-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc2ccccc2c1)[NH+](C)C ZINC001322248986 1387120799 /nfs/dbraw/zinc/12/07/99/1387120799.db2.gz NGEXCDITPDMLCH-UZLBHIALSA-N 2 1 341.499 3.117 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C(=O)N[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC001182231875 1387126753 /nfs/dbraw/zinc/12/67/53/1387126753.db2.gz BSAJYLJNBFIFOJ-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCCC[NH+](CC)[C@@H](C(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC001182231875 1387126754 /nfs/dbraw/zinc/12/67/54/1387126754.db2.gz BSAJYLJNBFIFOJ-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCCC[NH+](CC)[C@@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC001182231875 1387126758 /nfs/dbraw/zinc/12/67/58/1387126758.db2.gz BSAJYLJNBFIFOJ-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@@H](C[N@H+](C)Cc1ccccc1F)NC(=O)CCC[NH+]1CCCCC1 ZINC001322299711 1387149792 /nfs/dbraw/zinc/14/97/92/1387149792.db2.gz WRGGMOIUFMQGEI-KRWDZBQOSA-N 2 1 349.494 3.028 20 0 EGADMP C[C@@H](C[N@@H+](C)Cc1ccccc1F)NC(=O)CCC[NH+]1CCCCC1 ZINC001322299711 1387149798 /nfs/dbraw/zinc/14/97/98/1387149798.db2.gz WRGGMOIUFMQGEI-KRWDZBQOSA-N 2 1 349.494 3.028 20 0 EGADMP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001182623704 1387198144 /nfs/dbraw/zinc/19/81/44/1387198144.db2.gz SBQQCBVFIGKYGQ-SSPLKJMRSA-N 2 1 349.563 3.149 20 0 EGADMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](CC)C2)c1 ZINC001329225790 1389028097 /nfs/dbraw/zinc/02/80/97/1389028097.db2.gz MOOBSIZVDIWIPK-HNNXBMFYSA-N 2 1 348.491 3.152 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329491569 1389131032 /nfs/dbraw/zinc/13/10/32/1389131032.db2.gz UTMMFOYPCUMEBJ-UHFFFAOYSA-N 2 1 347.528 3.203 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC001336785282 1389169000 /nfs/dbraw/zinc/16/90/00/1389169000.db2.gz NHODQVDIIWQYTK-LRDDRELGSA-N 2 1 328.859 3.223 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)C[C@H]2C1 ZINC001336888615 1389196689 /nfs/dbraw/zinc/19/66/89/1389196689.db2.gz KNFDDVOJLUAUOX-IIAWOOMASA-N 2 1 330.501 3.300 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2sc(CCOC)nc2C)C1 ZINC001337108175 1389255115 /nfs/dbraw/zinc/25/51/15/1389255115.db2.gz DYJFYRUFSVEFLU-HIFRSBDPSA-N 2 1 325.522 3.023 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC001330090793 1389307154 /nfs/dbraw/zinc/30/71/54/1389307154.db2.gz DMLSKACJFCLJPV-SFHVURJKSA-N 2 1 342.487 3.009 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC001330090793 1389307157 /nfs/dbraw/zinc/30/71/57/1389307157.db2.gz DMLSKACJFCLJPV-SFHVURJKSA-N 2 1 342.487 3.009 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC2(CC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC001698735383 1406384980 /nfs/dbraw/zinc/38/49/80/1406384980.db2.gz LFPRIODRAILZRY-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC001698735383 1406384984 /nfs/dbraw/zinc/38/49/84/1406384984.db2.gz LFPRIODRAILZRY-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC001338491653 1389694603 /nfs/dbraw/zinc/69/46/03/1389694603.db2.gz LFGQUJXZNULFQE-XJKSGUPXSA-N 2 1 344.421 3.449 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C)cc2C)C1 ZINC001332326267 1390087590 /nfs/dbraw/zinc/08/75/90/1390087590.db2.gz ZXSFYODQMOIAET-AZUAARDMSA-N 2 1 345.531 3.020 20 0 EGADMP CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001332425321 1390114083 /nfs/dbraw/zinc/11/40/83/1390114083.db2.gz ZHPXAYDRFBOKBH-OAHLLOKOSA-N 2 1 347.528 3.201 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC001340515460 1390303813 /nfs/dbraw/zinc/30/38/13/1390303813.db2.gz OEBNVCVFJFZJLI-CABCVRRESA-N 2 1 329.488 3.299 20 0 EGADMP C[C@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001341568662 1390503482 /nfs/dbraw/zinc/50/34/82/1390503482.db2.gz AJGGPIAKZMHEFR-GOSISDBHSA-N 2 1 342.483 3.010 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)C[C@H]([NH3+])C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001341699209 1390518713 /nfs/dbraw/zinc/51/87/13/1390518713.db2.gz DMZPITLCXDOEFX-QRQLOZEOSA-N 2 1 345.531 3.261 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC001334433455 1390537818 /nfs/dbraw/zinc/53/78/18/1390537818.db2.gz ITEJQONHIVVSMT-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cn3nc(Cl)c4ccccc43)C[C@@H]2C1 ZINC001334747262 1390579169 /nfs/dbraw/zinc/57/91/69/1390579169.db2.gz HFUQHQDSADKXNQ-SOUVJXGZSA-N 2 1 332.879 3.309 20 0 EGADMP Cn1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(-c2cccs2)n1 ZINC001335132981 1390646381 /nfs/dbraw/zinc/64/63/81/1390646381.db2.gz AEVVSDUZOCUJPY-ZMSDIMECSA-N 2 1 344.528 3.311 20 0 EGADMP c1ccc(C2CCC(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC001343259936 1390703123 /nfs/dbraw/zinc/70/31/23/1390703123.db2.gz AHVIFCRFQPGDSO-NLDTVIPQSA-N 2 1 328.500 3.413 20 0 EGADMP c1ccc(C2CCC(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC001343259936 1390703124 /nfs/dbraw/zinc/70/31/24/1390703124.db2.gz AHVIFCRFQPGDSO-NLDTVIPQSA-N 2 1 328.500 3.413 20 0 EGADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1C[C@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001335582543 1390706108 /nfs/dbraw/zinc/70/61/08/1390706108.db2.gz MAUAGWJFRZQCQX-IIAWOOMASA-N 2 1 346.906 3.389 20 0 EGADMP Cc1cnc2cc(C(=O)N3CCC[C@@H]3CNc3cccc(C)[nH+]3)ccn12 ZINC001349788101 1391367079 /nfs/dbraw/zinc/36/70/79/1391367079.db2.gz VHPRQOYBAWCROQ-QGZVFWFLSA-N 2 1 349.438 3.063 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CC1CCCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001488671254 1391701244 /nfs/dbraw/zinc/70/12/44/1391701244.db2.gz JSZCXBQVFVKVMI-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CCC1CC1 ZINC001479829255 1392416282 /nfs/dbraw/zinc/41/62/82/1392416282.db2.gz LMSVUNZJKDCXJC-FUHWJXTLSA-N 2 1 346.519 3.166 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cc(C)ccc2C)C1 ZINC001479913614 1392481712 /nfs/dbraw/zinc/48/17/12/1392481712.db2.gz MADCNTDFUCFXBT-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001479913614 1392481717 /nfs/dbraw/zinc/48/17/17/1392481717.db2.gz MADCNTDFUCFXBT-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001479913614 1392481721 /nfs/dbraw/zinc/48/17/21/1392481721.db2.gz MADCNTDFUCFXBT-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCCC1)C1CCC1 ZINC001480349620 1392698990 /nfs/dbraw/zinc/69/89/90/1392698990.db2.gz IBTYCFXSSJCREI-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001480382163 1392725658 /nfs/dbraw/zinc/72/56/58/1392725658.db2.gz HQLNYJAQPOVVAB-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001480863777 1392987945 /nfs/dbraw/zinc/98/79/45/1392987945.db2.gz GIIOBCOYZKRDBB-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001480863777 1392987949 /nfs/dbraw/zinc/98/79/49/1392987949.db2.gz GIIOBCOYZKRDBB-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001480863777 1392987955 /nfs/dbraw/zinc/98/79/55/1392987955.db2.gz GIIOBCOYZKRDBB-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1c(C)cccc1C ZINC001480973965 1393059319 /nfs/dbraw/zinc/05/93/19/1393059319.db2.gz CAECBAIBDDQHSJ-FQEVSTJZSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)Cc1c(C)cccc1C ZINC001480973965 1393059324 /nfs/dbraw/zinc/05/93/24/1393059324.db2.gz CAECBAIBDDQHSJ-FQEVSTJZSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)Cc1c(C)cccc1C ZINC001480973965 1393059327 /nfs/dbraw/zinc/05/93/27/1393059327.db2.gz CAECBAIBDDQHSJ-FQEVSTJZSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)[C@H](C)c1ccccc1C ZINC001481018541 1393094635 /nfs/dbraw/zinc/09/46/35/1393094635.db2.gz BPOKQVUJOKHXKW-LJQANCHMSA-N 2 1 345.531 3.370 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1)c1ccccc1 ZINC001491181087 1394461491 /nfs/dbraw/zinc/46/14/91/1394461491.db2.gz ZGBWZTBYAMPDLF-ICSRJNTNSA-N 2 1 345.531 3.308 20 0 EGADMP C[N@@H+](CCC(=O)NC[C@H]1CCCC[NH+]1CC1CC1)C1CCCCC1 ZINC001491219291 1394478286 /nfs/dbraw/zinc/47/82/86/1394478286.db2.gz OVGAEXYSWUZKFL-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCC(=O)NC[C@H]1CCCC[N@@H+]1CC1CC1)C1CCCCC1 ZINC001491219291 1394478287 /nfs/dbraw/zinc/47/82/87/1394478287.db2.gz OVGAEXYSWUZKFL-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCC(=O)NC[C@H]1CCCC[N@H+]1CC1CC1)C1CCCCC1 ZINC001491219291 1394478290 /nfs/dbraw/zinc/47/82/90/1394478290.db2.gz OVGAEXYSWUZKFL-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@]1(C[NH2+]C(C)C)CCCC[C@H]1C ZINC001481959792 1394620416 /nfs/dbraw/zinc/62/04/16/1394620416.db2.gz BUSDMBRXPYISIE-APWZRJJASA-N 2 1 334.508 3.035 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001482172998 1394786129 /nfs/dbraw/zinc/78/61/29/1394786129.db2.gz DCDZQKCDKWUBDK-JXFKEZNVSA-N 2 1 345.531 3.020 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](CC[NH2+][C@H](C)c2ccccc2F)C1 ZINC001484549371 1395430769 /nfs/dbraw/zinc/43/07/69/1395430769.db2.gz JXXMZBPVWOLYFP-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCCC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001484718014 1395479492 /nfs/dbraw/zinc/47/94/92/1395479492.db2.gz HBMGRCNHJKXYQK-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CC[C@H](C(=O)N(C)CC[N@H+](C)[C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001698990575 1406779142 /nfs/dbraw/zinc/77/91/42/1406779142.db2.gz BEHQTJPNTDCWLE-RHSMWYFYSA-N 2 1 339.911 3.131 20 0 EGADMP CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001698990575 1406779144 /nfs/dbraw/zinc/77/91/44/1406779144.db2.gz BEHQTJPNTDCWLE-RHSMWYFYSA-N 2 1 339.911 3.131 20 0 EGADMP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[N@@H+](C)Cc1cccc(F)c1 ZINC001485387218 1395876253 /nfs/dbraw/zinc/87/62/53/1395876253.db2.gz JNHIZTFUOBFUGZ-QGZVFWFLSA-N 2 1 349.494 3.028 20 0 EGADMP CCCC[C@H](C[NH2+]CC1CCCCCC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001485461262 1395935521 /nfs/dbraw/zinc/93/55/21/1395935521.db2.gz GMASVOVOPCHWAN-RTBURBONSA-N 2 1 337.552 3.316 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC2(CC1)CC[NH+](CC1CCC1)CC2 ZINC001503763536 1396267960 /nfs/dbraw/zinc/26/79/60/1396267960.db2.gz DXCVYOSFHBOXPK-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C)cc1 ZINC001505410601 1396294806 /nfs/dbraw/zinc/29/48/06/1396294806.db2.gz FQVXZLPHMJQHJM-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@H]([NH2+]C(C)C)c1ccc(C(C)C)cc1 ZINC001493878668 1396344121 /nfs/dbraw/zinc/34/41/21/1396344121.db2.gz OONJZGJPOCRHPB-IBGZPJMESA-N 2 1 342.487 3.170 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)Cc2cccc(C)c2)C1 ZINC001494171134 1396395630 /nfs/dbraw/zinc/39/56/30/1396395630.db2.gz GVOCHDQEEGFTNZ-HXUWFJFHSA-N 2 1 345.531 3.007 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(C)c2)C1 ZINC001494171134 1396395638 /nfs/dbraw/zinc/39/56/38/1396395638.db2.gz GVOCHDQEEGFTNZ-HXUWFJFHSA-N 2 1 345.531 3.007 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(C)c2)C1 ZINC001494171134 1396395643 /nfs/dbraw/zinc/39/56/43/1396395643.db2.gz GVOCHDQEEGFTNZ-HXUWFJFHSA-N 2 1 345.531 3.007 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001494301640 1396424249 /nfs/dbraw/zinc/42/42/49/1396424249.db2.gz YVFGPDRZLSZTIO-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CCc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001498456491 1397002176 /nfs/dbraw/zinc/00/21/76/1397002176.db2.gz OIGVGNQQSXYJDG-SFHVURJKSA-N 2 1 345.531 3.062 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001690428961 1404554954 /nfs/dbraw/zinc/55/49/54/1404554954.db2.gz HEWOVDULHTXFPW-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2cc(C)cc(C)c2)C1 ZINC001690825224 1404762991 /nfs/dbraw/zinc/76/29/91/1404762991.db2.gz UQFAWWSXMQYPNR-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001690825224 1404762992 /nfs/dbraw/zinc/76/29/92/1404762992.db2.gz UQFAWWSXMQYPNR-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001690825224 1404762994 /nfs/dbraw/zinc/76/29/94/1404762994.db2.gz UQFAWWSXMQYPNR-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)CCNC(=O)C[NH+]2CC[C@@H](C)C2)cc1 ZINC001690978625 1404888312 /nfs/dbraw/zinc/88/83/12/1404888312.db2.gz YDTNGDINSYSYEQ-QZTJIDSGSA-N 2 1 345.531 3.261 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+](C)CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001690978625 1404888316 /nfs/dbraw/zinc/88/83/16/1404888316.db2.gz YDTNGDINSYSYEQ-QZTJIDSGSA-N 2 1 345.531 3.261 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+](C)CCNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001690978625 1404888322 /nfs/dbraw/zinc/88/83/22/1404888322.db2.gz YDTNGDINSYSYEQ-QZTJIDSGSA-N 2 1 345.531 3.261 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001691083309 1405017414 /nfs/dbraw/zinc/01/74/14/1405017414.db2.gz TUAQIUHTOKQAHB-QZTJIDSGSA-N 2 1 343.515 3.121 20 0 EGADMP CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001691317583 1405204324 /nfs/dbraw/zinc/20/43/24/1405204324.db2.gz ZMZXVOMDXZVIDY-RTBURBONSA-N 2 1 331.504 3.059 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001691814643 1405529506 /nfs/dbraw/zinc/52/95/06/1405529506.db2.gz DHXSWYBKPBXOLQ-ZHALLVOQSA-N 2 1 345.531 3.210 20 0 EGADMP C[NH+](C)C1(C(=O)NCC[C@H]2CC[N@@H+](CCCC3CCCC3)C2)CCC1 ZINC001691887815 1405611041 /nfs/dbraw/zinc/61/10/41/1405611041.db2.gz JZFCEWIRVMWWGP-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)CC[NH+](C)CC)C1 ZINC001691999319 1405714971 /nfs/dbraw/zinc/71/49/71/1405714971.db2.gz RWMSLNHGACFSAJ-FQEVSTJZSA-N 2 1 345.531 3.231 20 0 EGADMP CCC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)CC[N@H+](C)CC)C1 ZINC001691999319 1405714972 /nfs/dbraw/zinc/71/49/72/1405714972.db2.gz RWMSLNHGACFSAJ-FQEVSTJZSA-N 2 1 345.531 3.231 20 0 EGADMP CCC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)CC[N@@H+](C)CC)C1 ZINC001691999319 1405714977 /nfs/dbraw/zinc/71/49/77/1405714977.db2.gz RWMSLNHGACFSAJ-FQEVSTJZSA-N 2 1 345.531 3.231 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001698572858 1406178320 /nfs/dbraw/zinc/17/83/20/1406178320.db2.gz KFRJFXWYEUVTSD-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001698572858 1406178324 /nfs/dbraw/zinc/17/83/24/1406178324.db2.gz KFRJFXWYEUVTSD-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001698572858 1406178325 /nfs/dbraw/zinc/17/83/25/1406178325.db2.gz KFRJFXWYEUVTSD-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001698575179 1406183376 /nfs/dbraw/zinc/18/33/76/1406183376.db2.gz SAACOOFHVPDMLF-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+]([C@H](CC)c2ccccc2)C1 ZINC001698575179 1406183377 /nfs/dbraw/zinc/18/33/77/1406183377.db2.gz SAACOOFHVPDMLF-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC001698575179 1406183378 /nfs/dbraw/zinc/18/33/78/1406183378.db2.gz SAACOOFHVPDMLF-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CCCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001732038213 1428261745 /nfs/dbraw/zinc/26/17/45/1428261745.db2.gz DAQVFAIRYFBGKQ-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCCN(C(=O)C[N@H+](C)C1CCC1)[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001732038213 1428261746 /nfs/dbraw/zinc/26/17/46/1428261746.db2.gz DAQVFAIRYFBGKQ-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)C1CCC1)[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001732038213 1428261748 /nfs/dbraw/zinc/26/17/48/1428261748.db2.gz DAQVFAIRYFBGKQ-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001732041914 1428272220 /nfs/dbraw/zinc/27/22/20/1428272220.db2.gz NGLPZEWFFDVVMN-IBGZPJMESA-N 2 1 349.494 3.034 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001732055693 1428299092 /nfs/dbraw/zinc/29/90/92/1428299092.db2.gz YJGQPGBAZUEQNZ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001732055693 1428299093 /nfs/dbraw/zinc/29/90/93/1428299093.db2.gz YJGQPGBAZUEQNZ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001732055693 1428299094 /nfs/dbraw/zinc/29/90/94/1428299094.db2.gz YJGQPGBAZUEQNZ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1CC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001732059005 1428305892 /nfs/dbraw/zinc/30/58/92/1428305892.db2.gz KYBYUWWDWRVSEP-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC001732059005 1428305894 /nfs/dbraw/zinc/30/58/94/1428305894.db2.gz KYBYUWWDWRVSEP-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001732059005 1428305897 /nfs/dbraw/zinc/30/58/97/1428305897.db2.gz KYBYUWWDWRVSEP-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001732152502 1428396771 /nfs/dbraw/zinc/39/67/71/1428396771.db2.gz XOCHPNHXFOOIFN-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001732152502 1428396773 /nfs/dbraw/zinc/39/67/73/1428396773.db2.gz XOCHPNHXFOOIFN-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001732152502 1428396775 /nfs/dbraw/zinc/39/67/75/1428396775.db2.gz XOCHPNHXFOOIFN-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001732186755 1428436534 /nfs/dbraw/zinc/43/65/34/1428436534.db2.gz OAHGVSILBBAXHL-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001732187261 1428437437 /nfs/dbraw/zinc/43/74/37/1428437437.db2.gz QBFXFBPKKQEQAE-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C[NH2+][C@H](C)c1ccccc1 ZINC001732362517 1428548694 /nfs/dbraw/zinc/54/86/94/1428548694.db2.gz XHSVETMGLACSHA-DLBZAZTESA-N 2 1 333.520 3.067 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCC1 ZINC001700139669 1413559305 /nfs/dbraw/zinc/55/93/05/1413559305.db2.gz QGHGPLPZPHTXTM-SFHVURJKSA-N 2 1 337.552 3.314 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCCC2CCCC2)CC[N@H+]1C ZINC001700344278 1413830259 /nfs/dbraw/zinc/83/02/59/1413830259.db2.gz GPJYMCGWGWZGQX-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1C[N@H+](C)CCCC1CCCC1 ZINC001700364480 1413885251 /nfs/dbraw/zinc/88/52/51/1413885251.db2.gz LJYRDPZLCINFMQ-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1C[N@@H+](C)CCCC1CCCC1 ZINC001700364480 1413885263 /nfs/dbraw/zinc/88/52/63/1413885263.db2.gz LJYRDPZLCINFMQ-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CCCCC[NH+]1C/C=C\Cl)CC(C)(C)C ZINC001700524897 1414185083 /nfs/dbraw/zinc/18/50/83/1414185083.db2.gz AOHUBIIIAPNNFB-YHWKNFMLSA-N 2 1 343.943 3.078 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCCC[N@@H+]1C/C=C\Cl)CC(C)(C)C ZINC001700524897 1414185085 /nfs/dbraw/zinc/18/50/85/1414185085.db2.gz AOHUBIIIAPNNFB-YHWKNFMLSA-N 2 1 343.943 3.078 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCCC[N@H+]1C/C=C\Cl)CC(C)(C)C ZINC001700524897 1414185086 /nfs/dbraw/zinc/18/50/86/1414185086.db2.gz AOHUBIIIAPNNFB-YHWKNFMLSA-N 2 1 343.943 3.078 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001700527729 1414192079 /nfs/dbraw/zinc/19/20/79/1414192079.db2.gz ZEGIBUFROXVNGV-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001700621115 1414290302 /nfs/dbraw/zinc/29/03/02/1414290302.db2.gz KJVRZPOMHYSUJB-SGQUHAKNSA-N 2 1 349.563 3.243 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CCC[NH2+]C/C=C\Cl)c1ccccc1 ZINC001700704944 1414361669 /nfs/dbraw/zinc/36/16/69/1414361669.db2.gz DKUIRWOBZSLKFN-XBIMBQGHSA-N 2 1 349.906 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cccc(F)c2)[C@@H]1C ZINC001700887658 1414546625 /nfs/dbraw/zinc/54/66/25/1414546625.db2.gz JZHFUWJBKBXHPH-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(F)c2)[C@@H]1C ZINC001700887658 1414546628 /nfs/dbraw/zinc/54/66/28/1414546628.db2.gz JZHFUWJBKBXHPH-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)[C@@H]1C ZINC001700887658 1414546631 /nfs/dbraw/zinc/54/66/31/1414546631.db2.gz JZHFUWJBKBXHPH-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccccc2F)[C@@H]1C ZINC001700890999 1414550185 /nfs/dbraw/zinc/55/01/85/1414550185.db2.gz YGMQLOCFMTYSOZ-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2F)[C@@H]1C ZINC001700890999 1414550189 /nfs/dbraw/zinc/55/01/89/1414550189.db2.gz YGMQLOCFMTYSOZ-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2F)[C@@H]1C ZINC001700890999 1414550192 /nfs/dbraw/zinc/55/01/92/1414550192.db2.gz YGMQLOCFMTYSOZ-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@@H]21 ZINC001732604493 1428857312 /nfs/dbraw/zinc/85/73/12/1428857312.db2.gz BSXLPYDQRHZBPV-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713086695 1417633535 /nfs/dbraw/zinc/63/35/35/1417633535.db2.gz GIWYVBWRNFHKIS-ZWKOTPCHSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001713086695 1417633537 /nfs/dbraw/zinc/63/35/37/1417633537.db2.gz GIWYVBWRNFHKIS-ZWKOTPCHSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001713086695 1417633539 /nfs/dbraw/zinc/63/35/39/1417633539.db2.gz GIWYVBWRNFHKIS-ZWKOTPCHSA-N 2 1 345.531 3.224 20 0 EGADMP C[N@@H+](CCCC1CCC1)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001713134728 1417713421 /nfs/dbraw/zinc/71/34/21/1417713421.db2.gz SVCAHDGWVHXBQF-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)C1CCCCC1 ZINC001713164074 1417738600 /nfs/dbraw/zinc/73/86/00/1417738600.db2.gz GJQZIOBYMASAMY-WGSAOQKQSA-N 2 1 349.563 3.458 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001713417413 1418041434 /nfs/dbraw/zinc/04/14/34/1418041434.db2.gz QTDPIDIWNWLIAA-HNAYVOBHSA-N 2 1 343.531 3.120 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](CC)c1ccccc1 ZINC001713454184 1418104177 /nfs/dbraw/zinc/10/41/77/1418104177.db2.gz CYQGFFAYSAONCH-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](CC)c1ccccc1 ZINC001713454184 1418104179 /nfs/dbraw/zinc/10/41/79/1418104179.db2.gz CYQGFFAYSAONCH-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](CC)c1ccccc1 ZINC001713454184 1418104181 /nfs/dbraw/zinc/10/41/81/1418104181.db2.gz CYQGFFAYSAONCH-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP Cc1cccc([C@H](C)[NH+](C)CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001713459834 1418115395 /nfs/dbraw/zinc/11/53/95/1418115395.db2.gz OPWIOVDKXSRFRA-ICSRJNTNSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)c1 ZINC001713459834 1418115397 /nfs/dbraw/zinc/11/53/97/1418115397.db2.gz OPWIOVDKXSRFRA-ICSRJNTNSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)c1 ZINC001713459834 1418115404 /nfs/dbraw/zinc/11/54/04/1418115404.db2.gz OPWIOVDKXSRFRA-ICSRJNTNSA-N 2 1 345.531 3.224 20 0 EGADMP CC(C)C[NH+]1CCC(N(C)C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001713780910 1418596647 /nfs/dbraw/zinc/59/66/47/1418596647.db2.gz IWIBMHKCXRPZGF-UHFFFAOYSA-N 2 1 337.552 3.220 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001713794310 1418613982 /nfs/dbraw/zinc/61/39/82/1418613982.db2.gz MITNYNKGVIEWDH-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCCC2)C1)[NH+](C)C ZINC001714014382 1418794291 /nfs/dbraw/zinc/79/42/91/1418794291.db2.gz VNHDQAQHOWZTAO-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H](CNC(=O)CCc1cnc[nH]1)[NH2+][C@@H](C)c1ccccc1Cl ZINC001714080913 1418874798 /nfs/dbraw/zinc/87/47/98/1418874798.db2.gz SUYDNUFJVFIYSM-KBPBESRZSA-N 2 1 348.878 3.241 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001714154780 1418963592 /nfs/dbraw/zinc/96/35/92/1418963592.db2.gz ZIXVUWMGSAGSTR-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001714154780 1418963594 /nfs/dbraw/zinc/96/35/94/1418963594.db2.gz ZIXVUWMGSAGSTR-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001714154780 1418963597 /nfs/dbraw/zinc/96/35/97/1418963597.db2.gz ZIXVUWMGSAGSTR-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCc2ccc(C[NH2+]CC(C)C)cc2)C1 ZINC001714321087 1419099478 /nfs/dbraw/zinc/09/94/78/1419099478.db2.gz MVMRRGXEIOXCML-HXUWFJFHSA-N 2 1 345.531 3.170 20 0 EGADMP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC001714323878 1419102370 /nfs/dbraw/zinc/10/23/70/1419102370.db2.gz SPEJSRXCASLGEN-FQEVSTJZSA-N 2 1 339.483 3.104 20 0 EGADMP C[C@@H](c1ccccc1F)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714543547 1419269448 /nfs/dbraw/zinc/26/94/48/1419269448.db2.gz PVKAIJYZZSZJCK-INIZCTEOSA-N 2 1 349.494 3.199 20 0 EGADMP C[C@@H](c1ccccc1F)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714543547 1419269451 /nfs/dbraw/zinc/26/94/51/1419269451.db2.gz PVKAIJYZZSZJCK-INIZCTEOSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1c(C)cc(C)cc1C ZINC001714648188 1419424482 /nfs/dbraw/zinc/42/44/82/1419424482.db2.gz ZFUPYOYMQGXCIB-FQEVSTJZSA-N 2 1 345.531 3.034 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1c(C)cc(C)cc1C ZINC001714648188 1419424485 /nfs/dbraw/zinc/42/44/85/1419424485.db2.gz ZFUPYOYMQGXCIB-FQEVSTJZSA-N 2 1 345.531 3.034 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1c(C)cc(C)cc1C ZINC001714648188 1419424487 /nfs/dbraw/zinc/42/44/87/1419424487.db2.gz ZFUPYOYMQGXCIB-FQEVSTJZSA-N 2 1 345.531 3.034 20 0 EGADMP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001714922783 1419675709 /nfs/dbraw/zinc/67/57/09/1419675709.db2.gz CKRGZIIAZVWOHX-DLBZAZTESA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@@H](C(=O)NC1C[NH+](CCC2CCCCCC2)C1)[NH+](CC)CC ZINC001714948172 1419690280 /nfs/dbraw/zinc/69/02/80/1419690280.db2.gz WQHXYPCJKIKLEC-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(C)c2)CC1 ZINC001715191911 1419923836 /nfs/dbraw/zinc/92/38/36/1419923836.db2.gz VBDBTMYZJKLTOB-MXVIHJGJSA-N 2 1 345.531 3.244 20 0 EGADMP CCC(CC)C[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001715201644 1419934500 /nfs/dbraw/zinc/93/45/00/1419934500.db2.gz ICGXFJKXLZOZQY-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)C(C)C)CC1 ZINC001715481706 1420160692 /nfs/dbraw/zinc/16/06/92/1420160692.db2.gz QANANBVKFSWMIK-IBGZPJMESA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)C(C)C)CC1 ZINC001715481706 1420160693 /nfs/dbraw/zinc/16/06/93/1420160693.db2.gz QANANBVKFSWMIK-IBGZPJMESA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)C(C)C)CC1 ZINC001715481706 1420160696 /nfs/dbraw/zinc/16/06/96/1420160696.db2.gz QANANBVKFSWMIK-IBGZPJMESA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001715931870 1420403991 /nfs/dbraw/zinc/40/39/91/1420403991.db2.gz KEHIGWYTMRBUDF-IAGOWNOFSA-N 2 1 345.531 3.450 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001715950749 1420417543 /nfs/dbraw/zinc/41/75/43/1420417543.db2.gz WWZVGJNSYQJKGC-IAGOWNOFSA-N 2 1 333.520 3.128 20 0 EGADMP Cc1ccccc1C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001715957089 1420422985 /nfs/dbraw/zinc/42/29/85/1420422985.db2.gz FQHBEUQORCLCFQ-HXUWFJFHSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001715957089 1420422987 /nfs/dbraw/zinc/42/29/87/1420422987.db2.gz FQHBEUQORCLCFQ-HXUWFJFHSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1ccccc1C[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001715957089 1420422989 /nfs/dbraw/zinc/42/29/89/1420422989.db2.gz FQHBEUQORCLCFQ-HXUWFJFHSA-N 2 1 345.531 3.148 20 0 EGADMP C[C@H](C[N@@H+](C)[C@H](C)c1ccccc1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001716044323 1420507681 /nfs/dbraw/zinc/50/76/81/1420507681.db2.gz LCICULPPKPIZJK-IAGOWNOFSA-N 2 1 333.520 3.162 20 0 EGADMP C[C@H](C[NH+](C)[C@H](C)c1ccccc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001716044323 1420507684 /nfs/dbraw/zinc/50/76/84/1420507684.db2.gz LCICULPPKPIZJK-IAGOWNOFSA-N 2 1 333.520 3.162 20 0 EGADMP C[C@H](C[NH+](C)[C@H](C)c1ccccc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001716044323 1420507686 /nfs/dbraw/zinc/50/76/86/1420507686.db2.gz LCICULPPKPIZJK-IAGOWNOFSA-N 2 1 333.520 3.162 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@H](C)c1ccccc1 ZINC001716220399 1420570470 /nfs/dbraw/zinc/57/04/70/1420570470.db2.gz PKLYEUQKVOANOK-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CC3CCCCC3)C[C@H]21 ZINC001717042865 1421097171 /nfs/dbraw/zinc/09/71/71/1421097171.db2.gz JWUFTAADLUDCLR-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21 ZINC001717042865 1421097175 /nfs/dbraw/zinc/09/71/75/1421097175.db2.gz JWUFTAADLUDCLR-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21 ZINC001717042865 1421097176 /nfs/dbraw/zinc/09/71/76/1421097176.db2.gz JWUFTAADLUDCLR-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001717197393 1421163787 /nfs/dbraw/zinc/16/37/87/1421163787.db2.gz YCWRGVPJAGMSDW-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001717197393 1421163790 /nfs/dbraw/zinc/16/37/90/1421163790.db2.gz YCWRGVPJAGMSDW-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001717197393 1421163793 /nfs/dbraw/zinc/16/37/93/1421163793.db2.gz YCWRGVPJAGMSDW-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CCCCCC2)[C@@H](C)C1 ZINC001717335019 1421272218 /nfs/dbraw/zinc/27/22/18/1421272218.db2.gz CMSAVNKPALKHRF-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)[C@@H](C)C1 ZINC001717335019 1421272222 /nfs/dbraw/zinc/27/22/22/1421272222.db2.gz CMSAVNKPALKHRF-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)[C@@H](C)C1 ZINC001717335019 1421272224 /nfs/dbraw/zinc/27/22/24/1421272224.db2.gz CMSAVNKPALKHRF-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001717341009 1421278551 /nfs/dbraw/zinc/27/85/51/1421278551.db2.gz ARXPUFGEKDQNTL-AZUAARDMSA-N 2 1 345.531 3.162 20 0 EGADMP C[NH+](C)C1(C(=O)N2CC[C@]3(CC[N@@H+](CCCC(C)(C)C)C3)C2)CCC1 ZINC001733293187 1429473880 /nfs/dbraw/zinc/47/38/80/1429473880.db2.gz BZDUZWOORILVLJ-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001717479150 1421414339 /nfs/dbraw/zinc/41/43/39/1421414339.db2.gz IJZCXKUXIABXRG-ZWKOTPCHSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC001717485957 1421422672 /nfs/dbraw/zinc/42/26/72/1421422672.db2.gz WYGUFGIFWMIGFZ-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)[C@H]1C ZINC001717803141 1421630696 /nfs/dbraw/zinc/63/06/96/1421630696.db2.gz STROVQDONJLVNW-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001733335176 1429519469 /nfs/dbraw/zinc/51/94/69/1429519469.db2.gz FWIRVQPAJFUBPG-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001733441046 1429648451 /nfs/dbraw/zinc/64/84/51/1429648451.db2.gz MQWAAZOVQKUGCC-JXFKEZNVSA-N 2 1 349.494 3.057 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001723457031 1424416901 /nfs/dbraw/zinc/41/69/01/1424416901.db2.gz FTQAFMFVLFYIIZ-MAUKXSAKSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001723457031 1424416904 /nfs/dbraw/zinc/41/69/04/1424416904.db2.gz FTQAFMFVLFYIIZ-MAUKXSAKSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@@H](c1cccc(F)c1)[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001723457031 1424416907 /nfs/dbraw/zinc/41/69/07/1424416907.db2.gz FTQAFMFVLFYIIZ-MAUKXSAKSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@@H](c1cccc(F)c1)[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001723457031 1424416910 /nfs/dbraw/zinc/41/69/10/1424416910.db2.gz FTQAFMFVLFYIIZ-MAUKXSAKSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001723571821 1424470522 /nfs/dbraw/zinc/47/05/22/1424470522.db2.gz SVMJZGLYZGXZAF-ROUUACIJSA-N 2 1 337.552 3.170 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC1CC1)C1CCCCCC1 ZINC001723640963 1424508542 /nfs/dbraw/zinc/50/85/42/1424508542.db2.gz OEEXKPCIVLFQIT-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC1CC1)C1CCCCCC1 ZINC001723640963 1424508545 /nfs/dbraw/zinc/50/85/45/1424508545.db2.gz OEEXKPCIVLFQIT-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC1CC1)C1CCCCCC1 ZINC001723640963 1424508549 /nfs/dbraw/zinc/50/85/49/1424508549.db2.gz OEEXKPCIVLFQIT-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001724616557 1424964166 /nfs/dbraw/zinc/96/41/66/1424964166.db2.gz FQWRYIDRTDRKNR-FQEVSTJZSA-N 2 1 345.531 3.276 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001724944852 1425329262 /nfs/dbraw/zinc/32/92/62/1425329262.db2.gz HQEYFRJACFRUOH-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CCC[N@H+]1CCC1CC1 ZINC001725613098 1426273535 /nfs/dbraw/zinc/27/35/35/1426273535.db2.gz AYFXWRSDWKIFNC-PXNSSMCTSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CCC[NH+]1CCC1CC1 ZINC001725613098 1426273539 /nfs/dbraw/zinc/27/35/39/1426273539.db2.gz AYFXWRSDWKIFNC-PXNSSMCTSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CCC[NH+]1CCC1CC1 ZINC001725613098 1426273543 /nfs/dbraw/zinc/27/35/43/1426273543.db2.gz AYFXWRSDWKIFNC-PXNSSMCTSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001725657150 1426340094 /nfs/dbraw/zinc/34/00/94/1426340094.db2.gz UGXPEZCWHXSBIP-MOPGFXCFSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001731372841 1427301473 /nfs/dbraw/zinc/30/14/73/1427301473.db2.gz DXINPRAHMRLYHL-GOSISDBHSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001731372841 1427301475 /nfs/dbraw/zinc/30/14/75/1427301475.db2.gz DXINPRAHMRLYHL-GOSISDBHSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001731372841 1427301476 /nfs/dbraw/zinc/30/14/76/1427301476.db2.gz DXINPRAHMRLYHL-GOSISDBHSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001731381360 1427318532 /nfs/dbraw/zinc/31/85/32/1427318532.db2.gz JMXIQEJJJWNDIV-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CCC[NH+]1CC1CCCCCC1)C1CCC1 ZINC001731829239 1428036489 /nfs/dbraw/zinc/03/64/89/1428036489.db2.gz NSBVUCFXCQZSMV-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCCC1)C1CCC1 ZINC001731829239 1428036491 /nfs/dbraw/zinc/03/64/91/1428036491.db2.gz NSBVUCFXCQZSMV-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCCC1)C1CCC1 ZINC001731829239 1428036497 /nfs/dbraw/zinc/03/64/97/1428036497.db2.gz NSBVUCFXCQZSMV-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001731842097 1428064131 /nfs/dbraw/zinc/06/41/31/1428064131.db2.gz NYDLVHZEXIRAOS-UYAOXDASSA-N 2 1 343.515 3.204 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1CC1CCCCC1 ZINC001733902341 1437720525 /nfs/dbraw/zinc/72/05/25/1437720525.db2.gz RLUIUOAMPXRFEU-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CC1CC(C[N@H+]2CCCCC[C@H]2CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001734105431 1437891935 /nfs/dbraw/zinc/89/19/35/1437891935.db2.gz FUKHORXCKRPGIB-MHJFOBGBSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001734343988 1438063623 /nfs/dbraw/zinc/06/36/23/1438063623.db2.gz NNOMZBQNRNHUMD-ROUUACIJSA-N 2 1 347.547 3.470 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)[C@H]1C ZINC001734404375 1438084162 /nfs/dbraw/zinc/08/41/62/1438084162.db2.gz RXKIKJWUNAGISN-UYAOXDASSA-N 2 1 345.531 3.033 20 0 EGADMP CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)CCC)[C@@H]2C)cc1 ZINC001734405503 1438084495 /nfs/dbraw/zinc/08/44/95/1438084495.db2.gz PMNNMXPJGFBIRU-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001734601919 1438183534 /nfs/dbraw/zinc/18/35/34/1438183534.db2.gz GWJNNSJORZTCMS-UHFFFAOYSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001752146255 1440145962 /nfs/dbraw/zinc/14/59/62/1440145962.db2.gz ZIRAGPBKVMPQDC-MJGOQNOKSA-N 2 1 337.552 3.409 20 0 EGADMP Cc1cccc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)c1 ZINC001752159062 1440148170 /nfs/dbraw/zinc/14/81/70/1440148170.db2.gz YSIFVNHLRRUYJT-UYAOXDASSA-N 2 1 345.531 3.194 20 0 EGADMP CC[N@@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CC1CCCCC1 ZINC001752196142 1440153042 /nfs/dbraw/zinc/15/30/42/1440153042.db2.gz QVBGUZBFGAHKBG-UHFFFAOYSA-N 2 1 335.536 3.023 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NCCC[N@@H+](CC2CCCC2)C2CC2)CC1 ZINC001752283113 1440164750 /nfs/dbraw/zinc/16/47/50/1440164750.db2.gz LLILOAQAMHVJCD-UHFFFAOYSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001752329884 1440171336 /nfs/dbraw/zinc/17/13/36/1440171336.db2.gz QJOZUAYICFQXRM-QGZVFWFLSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001752329884 1440171338 /nfs/dbraw/zinc/17/13/38/1440171338.db2.gz QJOZUAYICFQXRM-QGZVFWFLSA-N 2 1 334.508 3.023 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1 ZINC001752640015 1440197494 /nfs/dbraw/zinc/19/74/94/1440197494.db2.gz UOABPOFWYLKJFK-IYARVYRRSA-N 2 1 349.563 3.457 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCC(C)C)C1 ZINC001752814309 1440217464 /nfs/dbraw/zinc/21/74/64/1440217464.db2.gz GMBYLUYQFLJMSQ-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001752835540 1440227417 /nfs/dbraw/zinc/22/74/17/1440227417.db2.gz GHXMYIQTXNENGE-IAGOWNOFSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001752835540 1440227418 /nfs/dbraw/zinc/22/74/18/1440227418.db2.gz GHXMYIQTXNENGE-IAGOWNOFSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001752835540 1440227419 /nfs/dbraw/zinc/22/74/19/1440227419.db2.gz GHXMYIQTXNENGE-IAGOWNOFSA-N 2 1 337.552 3.265 20 0 EGADMP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001752839235 1440229594 /nfs/dbraw/zinc/22/95/94/1440229594.db2.gz CRIHCWWHAFPPGY-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001752840428 1440230260 /nfs/dbraw/zinc/23/02/60/1440230260.db2.gz JWWHMPLHSPOUPN-ZWKOTPCHSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001752840428 1440230261 /nfs/dbraw/zinc/23/02/61/1440230261.db2.gz JWWHMPLHSPOUPN-ZWKOTPCHSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001752840428 1440230262 /nfs/dbraw/zinc/23/02/62/1440230262.db2.gz JWWHMPLHSPOUPN-ZWKOTPCHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001752990598 1440259499 /nfs/dbraw/zinc/25/94/99/1440259499.db2.gz HPNKDHLXSULNMH-KDWHXURISA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001752990598 1440259500 /nfs/dbraw/zinc/25/95/00/1440259500.db2.gz HPNKDHLXSULNMH-KDWHXURISA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001752990598 1440259501 /nfs/dbraw/zinc/25/95/01/1440259501.db2.gz HPNKDHLXSULNMH-KDWHXURISA-N 2 1 349.563 3.386 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001752998045 1440263041 /nfs/dbraw/zinc/26/30/41/1440263041.db2.gz YDBRBDFZILNLSG-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001752998045 1440263042 /nfs/dbraw/zinc/26/30/42/1440263042.db2.gz YDBRBDFZILNLSG-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001752998045 1440263043 /nfs/dbraw/zinc/26/30/43/1440263043.db2.gz YDBRBDFZILNLSG-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001752999841 1440263950 /nfs/dbraw/zinc/26/39/50/1440263950.db2.gz ISGVQFCOLBHADV-UXHICEINSA-N 2 1 349.563 3.386 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001753030048 1440272765 /nfs/dbraw/zinc/27/27/65/1440272765.db2.gz OBDHEXFCYMPEAD-QGZVFWFLSA-N 2 1 342.487 3.417 20 0 EGADMP C[N@@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CC1CCCCCC1 ZINC001753052889 1440280151 /nfs/dbraw/zinc/28/01/51/1440280151.db2.gz JEYMBQSGTWBGGA-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)CC1CCCCCC1 ZINC001753052889 1440280152 /nfs/dbraw/zinc/28/01/52/1440280152.db2.gz JEYMBQSGTWBGGA-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)CC1CCCCCC1 ZINC001753052889 1440280153 /nfs/dbraw/zinc/28/01/53/1440280153.db2.gz JEYMBQSGTWBGGA-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001753055224 1440281144 /nfs/dbraw/zinc/28/11/44/1440281144.db2.gz LTBLDZBWSPABFW-UXHICEINSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001753055224 1440281145 /nfs/dbraw/zinc/28/11/45/1440281145.db2.gz LTBLDZBWSPABFW-UXHICEINSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001753055224 1440281146 /nfs/dbraw/zinc/28/11/46/1440281146.db2.gz LTBLDZBWSPABFW-UXHICEINSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@H](C)c1ccc(F)cc1 ZINC001753056280 1440281528 /nfs/dbraw/zinc/28/15/28/1440281528.db2.gz ZGOIEDHOQGQNTJ-VQIMIIECSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001753056280 1440281529 /nfs/dbraw/zinc/28/15/29/1440281529.db2.gz ZGOIEDHOQGQNTJ-VQIMIIECSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001753056280 1440281530 /nfs/dbraw/zinc/28/15/30/1440281530.db2.gz ZGOIEDHOQGQNTJ-VQIMIIECSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1ccc(F)cc1 ZINC001753056277 1440281648 /nfs/dbraw/zinc/28/16/48/1440281648.db2.gz ZGOIEDHOQGQNTJ-APWZRJJASA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001753056277 1440281649 /nfs/dbraw/zinc/28/16/49/1440281649.db2.gz ZGOIEDHOQGQNTJ-APWZRJJASA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001753056277 1440281650 /nfs/dbraw/zinc/28/16/50/1440281650.db2.gz ZGOIEDHOQGQNTJ-APWZRJJASA-N 2 1 349.494 3.055 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001753059294 1440282798 /nfs/dbraw/zinc/28/27/98/1440282798.db2.gz CKOTXZHKJITAPS-SFHVURJKSA-N 2 1 345.531 3.287 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)[NH+](CC)CC ZINC001753112272 1440308954 /nfs/dbraw/zinc/30/89/54/1440308954.db2.gz ZLTSFEYJMYCAKN-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@H](C)c1cccc(C)c1 ZINC001753115617 1440311136 /nfs/dbraw/zinc/31/11/36/1440311136.db2.gz GESOTHJSEWPUEI-UYAOXDASSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)c1cccc(C)c1 ZINC001753115617 1440311137 /nfs/dbraw/zinc/31/11/37/1440311137.db2.gz GESOTHJSEWPUEI-UYAOXDASSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1[C@H](C)c1cccc(C)c1 ZINC001753115617 1440311138 /nfs/dbraw/zinc/31/11/38/1440311138.db2.gz GESOTHJSEWPUEI-UYAOXDASSA-N 2 1 345.531 3.369 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1)c1ccccc1 ZINC001753119119 1440312878 /nfs/dbraw/zinc/31/28/78/1440312878.db2.gz LYWSTJUPVRFSPH-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1)c1ccccc1 ZINC001753119119 1440312879 /nfs/dbraw/zinc/31/28/79/1440312879.db2.gz LYWSTJUPVRFSPH-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)c1ccc(C[NH+]2CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001753140186 1440320587 /nfs/dbraw/zinc/32/05/87/1440320587.db2.gz LAAVAGCQKVUXJJ-IBGZPJMESA-N 2 1 345.531 3.088 20 0 EGADMP CC(C)c1ccc(C[N@H+]2CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001753140186 1440320588 /nfs/dbraw/zinc/32/05/88/1440320588.db2.gz LAAVAGCQKVUXJJ-IBGZPJMESA-N 2 1 345.531 3.088 20 0 EGADMP CC(C)c1ccc(C[N@@H+]2CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001753140186 1440320589 /nfs/dbraw/zinc/32/05/89/1440320589.db2.gz LAAVAGCQKVUXJJ-IBGZPJMESA-N 2 1 345.531 3.088 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC1CCCC1 ZINC001753149324 1440326671 /nfs/dbraw/zinc/32/66/71/1440326671.db2.gz WYWIVHXHRKVXGW-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001753273415 1440345661 /nfs/dbraw/zinc/34/56/61/1440345661.db2.gz BOTYDRWWBBYOST-CJCADHRLSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)CCC1CCCC1 ZINC001753291388 1440350593 /nfs/dbraw/zinc/35/05/93/1440350593.db2.gz GJMJBMRJSDWUEY-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001753293362 1440351251 /nfs/dbraw/zinc/35/12/51/1440351251.db2.gz CVOOTWFUZYUUMD-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C(C)C ZINC001753293362 1440351252 /nfs/dbraw/zinc/35/12/52/1440351252.db2.gz CVOOTWFUZYUUMD-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C(C)C ZINC001753293362 1440351253 /nfs/dbraw/zinc/35/12/53/1440351253.db2.gz CVOOTWFUZYUUMD-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CCCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001753317892 1440360679 /nfs/dbraw/zinc/36/06/79/1440360679.db2.gz YEMKMPOATQFZEK-GOSISDBHSA-N 2 1 342.487 3.225 20 0 EGADMP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccc(CC)cc2)C1 ZINC001753325455 1440366377 /nfs/dbraw/zinc/36/63/77/1440366377.db2.gz AKDHMYRGBPSPJS-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC/C=C/CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001753354342 1440379207 /nfs/dbraw/zinc/37/92/07/1440379207.db2.gz DRCHPFGXUUUWIP-COLAKMGYSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001753354342 1440379208 /nfs/dbraw/zinc/37/92/08/1440379208.db2.gz DRCHPFGXUUUWIP-COLAKMGYSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001753354342 1440379209 /nfs/dbraw/zinc/37/92/09/1440379209.db2.gz DRCHPFGXUUUWIP-COLAKMGYSA-N 2 1 349.563 3.243 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CCC2CCCCC2)C1 ZINC001753357962 1440381008 /nfs/dbraw/zinc/38/10/08/1440381008.db2.gz IMNYPEFJMFRVKW-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)CCC2CCCCC2)C1 ZINC001753357962 1440381009 /nfs/dbraw/zinc/38/10/09/1440381009.db2.gz IMNYPEFJMFRVKW-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)CCC2CCCCC2)C1 ZINC001753357962 1440381010 /nfs/dbraw/zinc/38/10/10/1440381010.db2.gz IMNYPEFJMFRVKW-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCCC1 ZINC001753427990 1440397562 /nfs/dbraw/zinc/39/75/62/1440397562.db2.gz SAVFVMWJJSOLSY-PMACEKPBSA-N 2 1 347.547 3.118 20 0 EGADMP CN(C(=O)C1([NH+](C)C)CCC1)[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001753439660 1440401344 /nfs/dbraw/zinc/40/13/44/1440401344.db2.gz PZFWWUQIHQRTQU-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001753445416 1440403440 /nfs/dbraw/zinc/40/34/40/1440403440.db2.gz LLUBHARBADTFQZ-RBUKOAKNSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001753445416 1440403441 /nfs/dbraw/zinc/40/34/41/1440403441.db2.gz LLUBHARBADTFQZ-RBUKOAKNSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001753445416 1440403442 /nfs/dbraw/zinc/40/34/42/1440403442.db2.gz LLUBHARBADTFQZ-RBUKOAKNSA-N 2 1 337.552 3.362 20 0 EGADMP CC[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C)cc1C ZINC001753477957 1440415649 /nfs/dbraw/zinc/41/56/49/1440415649.db2.gz RGTMSVRSDAKIPV-WOJBJXKFSA-N 2 1 345.531 3.162 20 0 EGADMP CC[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001753486465 1440417973 /nfs/dbraw/zinc/41/79/73/1440417973.db2.gz QVUDOCBDCQYMLC-YLJYHZDGSA-N 2 1 345.531 3.136 20 0 EGADMP CC[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001753486463 1440418020 /nfs/dbraw/zinc/41/80/20/1440418020.db2.gz QVUDOCBDCQYMLC-PXNSSMCTSA-N 2 1 345.531 3.136 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001753586526 1440441344 /nfs/dbraw/zinc/44/13/44/1440441344.db2.gz RPFGXEJPHUCZPN-LWYYNNOASA-N 2 1 349.563 3.457 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCC2CCC2)CC1 ZINC001753587457 1440441747 /nfs/dbraw/zinc/44/17/47/1440441747.db2.gz DXTGDVJTJUXEOW-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP CC[C@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001753591222 1440442913 /nfs/dbraw/zinc/44/29/13/1440442913.db2.gz QHXDWBIEZNCSJO-FXAWDEMLSA-N 2 1 345.531 3.311 20 0 EGADMP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001753669950 1440461650 /nfs/dbraw/zinc/46/16/50/1440461650.db2.gz MFHXLWGYZPNXER-FPXQDXNASA-N 2 1 347.547 3.378 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC3CCC(C)(C)CC3)CCCC2)C1 ZINC001753679608 1440464295 /nfs/dbraw/zinc/46/42/95/1440464295.db2.gz WMKHKBMUUDPORI-GOSISDBHSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001753695833 1440467592 /nfs/dbraw/zinc/46/75/92/1440467592.db2.gz ZBWHIHYUMIQXKP-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CCCCC1 ZINC001753745727 1440480911 /nfs/dbraw/zinc/48/09/11/1440480911.db2.gz IMKAWSACNPROOH-RTBURBONSA-N 2 1 337.552 3.314 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccccc2C)C1 ZINC001753798739 1440490324 /nfs/dbraw/zinc/49/03/24/1440490324.db2.gz FFFSGOINHTXNDV-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP CN(CC[N@@H+](C)CCCC1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001753855862 1440508746 /nfs/dbraw/zinc/50/87/46/1440508746.db2.gz MDHGJXKCSBEHEM-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CC[NH+](C)CCCC1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001753855862 1440508747 /nfs/dbraw/zinc/50/87/47/1440508747.db2.gz MDHGJXKCSBEHEM-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CC[NH+](C)CCCC1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001753855862 1440508748 /nfs/dbraw/zinc/50/87/48/1440508748.db2.gz MDHGJXKCSBEHEM-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H](C(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccccc1)[NH+]1CCCCCC1 ZINC001753864625 1440513434 /nfs/dbraw/zinc/51/34/34/1440513434.db2.gz QZKMBPWFUMMXQQ-RBUKOAKNSA-N 2 1 345.531 3.402 20 0 EGADMP CCc1ccccc1C[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001753868992 1440516517 /nfs/dbraw/zinc/51/65/17/1440516517.db2.gz CSVNQFKZNRZXNH-UHFFFAOYSA-N 2 1 345.531 3.015 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001753903432 1440523834 /nfs/dbraw/zinc/52/38/34/1440523834.db2.gz XIBRCJVPANXDLR-RTBURBONSA-N 2 1 337.552 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(CF)cc1 ZINC001754025304 1440533143 /nfs/dbraw/zinc/53/31/43/1440533143.db2.gz ILQVUYAFTJDHLV-LPHOPBHVSA-N 2 1 349.494 3.015 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCC1CCCCC1 ZINC001754119917 1440542796 /nfs/dbraw/zinc/54/27/96/1440542796.db2.gz OMWOXARCSXZWTE-LIXSYLKWSA-N 2 1 335.536 3.092 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001754239167 1440555377 /nfs/dbraw/zinc/55/53/77/1440555377.db2.gz PYHGTJPFCNCIJE-HCXYKTFWSA-N 2 1 345.531 3.189 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC001754253528 1440558636 /nfs/dbraw/zinc/55/86/36/1440558636.db2.gz PKVJEZDJJAZXNH-CXAGYDPISA-N 2 1 348.878 3.091 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2cc(C)ccc2C)C1 ZINC001754280079 1440562926 /nfs/dbraw/zinc/56/29/26/1440562926.db2.gz IAPBSQRIIXWCLQ-OALUTQOASA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001754285878 1440564196 /nfs/dbraw/zinc/56/41/96/1440564196.db2.gz PLVDASMOOAUSAY-HKUYNNGSSA-N 2 1 335.536 3.234 20 0 EGADMP CCCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001754310616 1440573040 /nfs/dbraw/zinc/57/30/40/1440573040.db2.gz JKTSPTTUESZULZ-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001754310616 1440573041 /nfs/dbraw/zinc/57/30/41/1440573041.db2.gz JKTSPTTUESZULZ-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001754310616 1440573042 /nfs/dbraw/zinc/57/30/42/1440573042.db2.gz JKTSPTTUESZULZ-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001754314189 1440574447 /nfs/dbraw/zinc/57/44/47/1440574447.db2.gz MMISXTKZDHDIKV-MSOLQXFVSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@H](C[N@@H+](C)CC1CCC2(CC2)CC1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001754322728 1440578721 /nfs/dbraw/zinc/57/87/21/1440578721.db2.gz DVHWFAWFLUXLEP-AOIWGVFYSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H](C[NH+](C)CC1CCC2(CC2)CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001754322728 1440578722 /nfs/dbraw/zinc/57/87/22/1440578722.db2.gz DVHWFAWFLUXLEP-AOIWGVFYSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H](C[NH+](C)CC1CCC2(CC2)CC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001754322728 1440578723 /nfs/dbraw/zinc/57/87/23/1440578723.db2.gz DVHWFAWFLUXLEP-AOIWGVFYSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001754324244 1440579740 /nfs/dbraw/zinc/57/97/40/1440579740.db2.gz QWTPASSPPIHROV-IEBWSBKVSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001754324244 1440579741 /nfs/dbraw/zinc/57/97/41/1440579741.db2.gz QWTPASSPPIHROV-IEBWSBKVSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001754324244 1440579742 /nfs/dbraw/zinc/57/97/42/1440579742.db2.gz QWTPASSPPIHROV-IEBWSBKVSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)(C(=O)NC[C@H]1CC[N@H+]1CCCC1CCCC1)[NH+]1CCCC1 ZINC001754490463 1440610182 /nfs/dbraw/zinc/61/01/82/1440610182.db2.gz QEDMUGJELFIDRQ-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001754496041 1440612398 /nfs/dbraw/zinc/61/23/98/1440612398.db2.gz SFFHXOZPEBEZIO-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@]2(C1)CCC[NH+](C[C@@H](C)CC)C2 ZINC001754557017 1440632127 /nfs/dbraw/zinc/63/21/27/1440632127.db2.gz AOQDRZLTWOOGCW-ICSRJNTNSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](C[C@@H](C)CC)C2 ZINC001754557017 1440632128 /nfs/dbraw/zinc/63/21/28/1440632128.db2.gz AOQDRZLTWOOGCW-ICSRJNTNSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](C)CC)C2 ZINC001754557017 1440632129 /nfs/dbraw/zinc/63/21/29/1440632129.db2.gz AOQDRZLTWOOGCW-ICSRJNTNSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001754567589 1440636226 /nfs/dbraw/zinc/63/62/26/1440636226.db2.gz PVQMBRXXQGVDMZ-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CCC/C=C\CC[NH+]1CC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001754583809 1440639258 /nfs/dbraw/zinc/63/92/58/1440639258.db2.gz LPAHEFIQCZUFOC-FPLPWBNLSA-N 2 1 343.515 3.251 20 0 EGADMP CCc1cccc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C2)c1 ZINC001754602938 1440642777 /nfs/dbraw/zinc/64/27/77/1440642777.db2.gz FFPIXZQSTXTOEB-XLIONFOSSA-N 2 1 345.531 3.058 20 0 EGADMP CCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001754662348 1440655276 /nfs/dbraw/zinc/65/52/76/1440655276.db2.gz WMISLQBRLARPTL-HXUWFJFHSA-N 2 1 346.519 3.086 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001754662348 1440655277 /nfs/dbraw/zinc/65/52/77/1440655277.db2.gz WMISLQBRLARPTL-HXUWFJFHSA-N 2 1 346.519 3.086 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001754677060 1440660456 /nfs/dbraw/zinc/66/04/56/1440660456.db2.gz YYLZCLDRVJXXDH-YLJYHZDGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001754677060 1440660457 /nfs/dbraw/zinc/66/04/57/1440660457.db2.gz YYLZCLDRVJXXDH-YLJYHZDGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001754677060 1440660458 /nfs/dbraw/zinc/66/04/58/1440660458.db2.gz YYLZCLDRVJXXDH-YLJYHZDGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001754686095 1440665078 /nfs/dbraw/zinc/66/50/78/1440665078.db2.gz YUGNZIVYOXTKGB-AZUAARDMSA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001754686095 1440665079 /nfs/dbraw/zinc/66/50/79/1440665079.db2.gz YUGNZIVYOXTKGB-AZUAARDMSA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001754686095 1440665080 /nfs/dbraw/zinc/66/50/80/1440665080.db2.gz YUGNZIVYOXTKGB-AZUAARDMSA-N 2 1 349.494 3.198 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@](C)(C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001754705826 1440669052 /nfs/dbraw/zinc/66/90/52/1440669052.db2.gz MDGWMOANERZKSA-NQIIRXRSSA-N 2 1 347.547 3.047 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001754728349 1440677528 /nfs/dbraw/zinc/67/75/28/1440677528.db2.gz UAOAFKKHRLTOIV-RRSJDPKQSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001754728349 1440677529 /nfs/dbraw/zinc/67/75/29/1440677529.db2.gz UAOAFKKHRLTOIV-RRSJDPKQSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001754728349 1440677530 /nfs/dbraw/zinc/67/75/30/1440677530.db2.gz UAOAFKKHRLTOIV-RRSJDPKQSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001754730790 1440679259 /nfs/dbraw/zinc/67/92/59/1440679259.db2.gz YXXVWMYYBGWLFW-IRUYWQDXSA-N 2 1 349.563 3.293 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@]1(C)CCC[NH+](CCCC(C)(C)C)C1 ZINC001754731801 1440679965 /nfs/dbraw/zinc/67/99/65/1440679965.db2.gz JXLOSVZDFSMJJO-FQEVSTJZSA-N 2 1 339.568 3.373 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+](CCCC(C)(C)C)C1 ZINC001754731801 1440679966 /nfs/dbraw/zinc/67/99/66/1440679966.db2.gz JXLOSVZDFSMJJO-FQEVSTJZSA-N 2 1 339.568 3.373 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001754731801 1440679967 /nfs/dbraw/zinc/67/99/67/1440679967.db2.gz JXLOSVZDFSMJJO-FQEVSTJZSA-N 2 1 339.568 3.373 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001754735668 1440682239 /nfs/dbraw/zinc/68/22/39/1440682239.db2.gz IBFVHPDPPQTACG-FXAWDEMLSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001754832825 1440696050 /nfs/dbraw/zinc/69/60/50/1440696050.db2.gz AKHDITLMZKYFGJ-ACDBMABISA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001754832825 1440696051 /nfs/dbraw/zinc/69/60/51/1440696051.db2.gz AKHDITLMZKYFGJ-ACDBMABISA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001754832825 1440696052 /nfs/dbraw/zinc/69/60/52/1440696052.db2.gz AKHDITLMZKYFGJ-ACDBMABISA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]([NH2+]CCC1CC1)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001754948833 1440714326 /nfs/dbraw/zinc/71/43/26/1440714326.db2.gz QCWMCBLAMIXQPS-SJORKVTESA-N 2 1 343.515 3.095 20 0 EGADMP CC/C=C\CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001754952317 1440715141 /nfs/dbraw/zinc/71/51/41/1440715141.db2.gz YLWQRMDCRBJPKL-YJTGKBQXSA-N 2 1 349.563 3.480 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC001755031324 1440731510 /nfs/dbraw/zinc/73/15/10/1440731510.db2.gz OVSMQQXZTJKWBV-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001755031324 1440731511 /nfs/dbraw/zinc/73/15/11/1440731511.db2.gz OVSMQQXZTJKWBV-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001755031324 1440731512 /nfs/dbraw/zinc/73/15/12/1440731512.db2.gz OVSMQQXZTJKWBV-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCC[NH+](C)CC2CCCC2)C1 ZINC001755042392 1440737992 /nfs/dbraw/zinc/73/79/92/1440737992.db2.gz MIZXIJCVELPIBU-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)CCC[N@H+](C)CC2CCCC2)C1 ZINC001755042392 1440737993 /nfs/dbraw/zinc/73/79/93/1440737993.db2.gz MIZXIJCVELPIBU-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)CCC[N@@H+](C)CC2CCCC2)C1 ZINC001755042392 1440737994 /nfs/dbraw/zinc/73/79/94/1440737994.db2.gz MIZXIJCVELPIBU-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001755048037 1440742212 /nfs/dbraw/zinc/74/22/12/1440742212.db2.gz SVTDRGNGEGXMDJ-WOJBJXKFSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001755048037 1440742213 /nfs/dbraw/zinc/74/22/13/1440742213.db2.gz SVTDRGNGEGXMDJ-WOJBJXKFSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001755048037 1440742214 /nfs/dbraw/zinc/74/22/14/1440742214.db2.gz SVTDRGNGEGXMDJ-WOJBJXKFSA-N 2 1 349.563 3.243 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[NH+](CCC3CC3)C2)C1 ZINC001755048078 1440742575 /nfs/dbraw/zinc/74/25/75/1440742575.db2.gz UANPDZPSGTXCPJ-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](CCC3CC3)C2)C1 ZINC001755048078 1440742576 /nfs/dbraw/zinc/74/25/76/1440742576.db2.gz UANPDZPSGTXCPJ-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+](CCC3CC3)C2)C1 ZINC001755048078 1440742577 /nfs/dbraw/zinc/74/25/77/1440742577.db2.gz UANPDZPSGTXCPJ-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](F)C[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001755072728 1440747151 /nfs/dbraw/zinc/74/71/51/1440747151.db2.gz REFCBNIHQDCMEL-INIZCTEOSA-N 2 1 343.531 3.073 20 0 EGADMP CC(C)CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001755114185 1440754712 /nfs/dbraw/zinc/75/47/12/1440754712.db2.gz MATIFXKEAHBTJX-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@@H+](CC(=O)N1CCC(C)([NH2+]CCC2CCCC2)CC1)C1CCC1 ZINC001755129529 1440756792 /nfs/dbraw/zinc/75/67/92/1440756792.db2.gz QFDQWNGDIIUTHA-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC2=CCCCC2)CC1(C)C ZINC001755144068 1440762476 /nfs/dbraw/zinc/76/24/76/1440762476.db2.gz WJMCLQRXNMNASN-SFHVURJKSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)CC1(C)C ZINC001755144068 1440762477 /nfs/dbraw/zinc/76/24/77/1440762477.db2.gz WJMCLQRXNMNASN-SFHVURJKSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)CC1(C)C ZINC001755144068 1440762478 /nfs/dbraw/zinc/76/24/78/1440762478.db2.gz WJMCLQRXNMNASN-SFHVURJKSA-N 2 1 335.536 3.044 20 0 EGADMP CCc1ccc(C[NH+]2CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@H]2C)cc1 ZINC001755167208 1440767479 /nfs/dbraw/zinc/76/74/79/1440767479.db2.gz LRDITSXRDUJUJC-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[N@H+]2CC[C@H](NC(=O)CC[NH+](C)CC)C[C@H]2C)cc1 ZINC001755167208 1440767480 /nfs/dbraw/zinc/76/74/80/1440767480.db2.gz LRDITSXRDUJUJC-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)CC)C[C@H]2C)cc1 ZINC001755167208 1440767481 /nfs/dbraw/zinc/76/74/81/1440767481.db2.gz LRDITSXRDUJUJC-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001755185161 1440772972 /nfs/dbraw/zinc/77/29/72/1440772972.db2.gz POIOYPBQWLWVRY-SLFFLAALSA-N 2 1 343.515 3.203 20 0 EGADMP C[N@@H+](CCC1CCCC1)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001755194308 1440776046 /nfs/dbraw/zinc/77/60/46/1440776046.db2.gz RWKHUOUTOOKLCV-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001755273678 1440798399 /nfs/dbraw/zinc/79/83/99/1440798399.db2.gz XYGAVZGWTKPULQ-XIMCWOHTSA-N 2 1 335.536 3.186 20 0 EGADMP CCc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]2CCC[NH+]2C(C)C)c1 ZINC001755300527 1440808234 /nfs/dbraw/zinc/80/82/34/1440808234.db2.gz RQAQDRHCLRYOOE-XLIONFOSSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1cccc(C[NH+](C)[C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001755300527 1440808235 /nfs/dbraw/zinc/80/82/35/1440808235.db2.gz RQAQDRHCLRYOOE-XLIONFOSSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1cccc(C[NH+](C)[C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001755300527 1440808236 /nfs/dbraw/zinc/80/82/36/1440808236.db2.gz RQAQDRHCLRYOOE-XLIONFOSSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1ccccc1C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001755329174 1440823787 /nfs/dbraw/zinc/82/37/87/1440823787.db2.gz XMCWGBCNFRSVBH-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001755329174 1440823788 /nfs/dbraw/zinc/82/37/88/1440823788.db2.gz XMCWGBCNFRSVBH-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001755329174 1440823789 /nfs/dbraw/zinc/82/37/89/1440823789.db2.gz XMCWGBCNFRSVBH-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CC/C=C\CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001755366906 1440835210 /nfs/dbraw/zinc/83/52/10/1440835210.db2.gz AFTLXRAYOGKREW-WFRZBGSESA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001755366906 1440835211 /nfs/dbraw/zinc/83/52/11/1440835211.db2.gz AFTLXRAYOGKREW-WFRZBGSESA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001755366906 1440835212 /nfs/dbraw/zinc/83/52/12/1440835212.db2.gz AFTLXRAYOGKREW-WFRZBGSESA-N 2 1 335.536 3.045 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CC)C[C@@]2(C)C1 ZINC001755460741 1440857323 /nfs/dbraw/zinc/85/73/23/1440857323.db2.gz MNQULZXJKUUXLK-MHACMEGNSA-N 2 1 349.563 3.245 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@]2(C)CN(C(=O)CC[N@H+](C)CC)C[C@@]2(C)C1 ZINC001755460741 1440857324 /nfs/dbraw/zinc/85/73/24/1440857324.db2.gz MNQULZXJKUUXLK-MHACMEGNSA-N 2 1 349.563 3.245 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@]2(C)CN(C(=O)CC[N@@H+](C)CC)C[C@@]2(C)C1 ZINC001755460741 1440857325 /nfs/dbraw/zinc/85/73/25/1440857325.db2.gz MNQULZXJKUUXLK-MHACMEGNSA-N 2 1 349.563 3.245 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+][C@H](C)c2ccccc2)C(C)(C)C1 ZINC001755765457 1440916037 /nfs/dbraw/zinc/91/60/37/1440916037.db2.gz PMAMHVGAMYXWGL-MJGOQNOKSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)N(CC[N@@H+](C)CCC1=CCCCC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001755817714 1440924706 /nfs/dbraw/zinc/92/47/06/1440924706.db2.gz WDNSKRTWQKGOKY-FQEVSTJZSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)N(CC[NH+](C)CCC1=CCCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001755817714 1440924707 /nfs/dbraw/zinc/92/47/07/1440924707.db2.gz WDNSKRTWQKGOKY-FQEVSTJZSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)N(CC[NH+](C)CCC1=CCCCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001755817714 1440924708 /nfs/dbraw/zinc/92/47/08/1440924708.db2.gz WDNSKRTWQKGOKY-FQEVSTJZSA-N 2 1 349.563 3.388 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](C[NH2+]CCCC2CCC2)C(C)(C)C)C1 ZINC001755832581 1440929158 /nfs/dbraw/zinc/92/91/58/1440929158.db2.gz PZJKCWIRPKAYCD-SJLPKXTDSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001755893847 1440942258 /nfs/dbraw/zinc/94/22/58/1440942258.db2.gz HNSUNBRZDZVRHH-UHFFFAOYSA-N 2 1 346.519 3.191 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001755893847 1440942259 /nfs/dbraw/zinc/94/22/59/1440942259.db2.gz HNSUNBRZDZVRHH-UHFFFAOYSA-N 2 1 346.519 3.191 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001755894399 1440942359 /nfs/dbraw/zinc/94/23/59/1440942359.db2.gz RIBRHSVBRPKZSN-QZTJIDSGSA-N 2 1 335.536 3.045 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC([NH3+])C3)CC2)nc1 ZINC001164388055 718802549 /nfs/dbraw/zinc/80/25/49/718802549.db2.gz QRXMVBSGXHCXDD-GOSISDBHSA-N 2 1 328.504 3.336 20 0 EGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(C3C[NH2+]C3)CC2)nc1 ZINC001164615126 719037928 /nfs/dbraw/zinc/03/79/28/719037928.db2.gz JWZGQPVJOPMAEN-IBGZPJMESA-N 2 1 328.504 3.064 20 0 EGADMP Cc1cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc2ccccc12 ZINC001164682319 719618475 /nfs/dbraw/zinc/61/84/75/719618475.db2.gz MLOJKAJWOHUNMV-UHFFFAOYSA-N 2 1 349.482 3.215 20 0 EGADMP Cc1cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc2ccccc12 ZINC001164682319 719618478 /nfs/dbraw/zinc/61/84/78/719618478.db2.gz MLOJKAJWOHUNMV-UHFFFAOYSA-N 2 1 349.482 3.215 20 0 EGADMP C[NH+](C)CC1CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC1 ZINC001165042478 721946416 /nfs/dbraw/zinc/94/64/16/721946416.db2.gz SRRMSRUDLGHMHK-UHFFFAOYSA-N 2 1 336.911 3.109 20 0 EGADMP CCOc1ccc(-c2nc(CN3CC[C@@]4(CC[N@@H+](C)C4)C3)co2)cc1 ZINC000368351240 168344830 /nfs/dbraw/zinc/34/48/30/168344830.db2.gz CNDVOZAFITUCLW-HXUWFJFHSA-N 2 1 341.455 3.268 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)s1 ZINC000352754739 282150868 /nfs/dbraw/zinc/15/08/68/282150868.db2.gz JQCVUMAIFWYJQD-KRWDZBQOSA-N 2 1 347.528 3.097 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000129785260 529887671 /nfs/dbraw/zinc/88/76/71/529887671.db2.gz ASROTVQGHGFSHF-UHFFFAOYSA-N 2 1 330.303 3.063 20 0 EGADMP Cc1nc(C)c([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)s1 ZINC000178322072 232135960 /nfs/dbraw/zinc/13/59/60/232135960.db2.gz KKINNYCHXJPSIT-CYBMUJFWSA-N 2 1 345.516 3.486 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000178700526 232389785 /nfs/dbraw/zinc/38/97/85/232389785.db2.gz WSNYATOONCIXMU-GJZGRUSLSA-N 2 1 329.444 3.340 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000103188366 219267541 /nfs/dbraw/zinc/26/75/41/219267541.db2.gz DNQCIPIKMAILAC-FQEVSTJZSA-N 2 1 339.483 3.057 20 0 EGADMP Cc1nccn1CCC[N@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000130525514 223159562 /nfs/dbraw/zinc/15/95/62/223159562.db2.gz RQTXCQZXYRJVJB-UHFFFAOYSA-N 2 1 346.500 3.487 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000130525514 223159567 /nfs/dbraw/zinc/15/95/67/223159567.db2.gz RQTXCQZXYRJVJB-UHFFFAOYSA-N 2 1 346.500 3.487 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749777 549326096 /nfs/dbraw/zinc/32/60/96/549326096.db2.gz SOEZKMMMSSVRTQ-PMACEKPBSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@@H](CN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749777 549326100 /nfs/dbraw/zinc/32/61/00/549326100.db2.gz SOEZKMMMSSVRTQ-PMACEKPBSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@@H](CN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749777 549326103 /nfs/dbraw/zinc/32/61/03/549326103.db2.gz SOEZKMMMSSVRTQ-PMACEKPBSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749777 549326106 /nfs/dbraw/zinc/32/61/06/549326106.db2.gz SOEZKMMMSSVRTQ-PMACEKPBSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749777 549326108 /nfs/dbraw/zinc/32/61/08/549326108.db2.gz SOEZKMMMSSVRTQ-PMACEKPBSA-N 2 1 329.532 3.359 20 0 EGADMP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000262648227 245096207 /nfs/dbraw/zinc/09/62/07/245096207.db2.gz KPMDUCPZTODJOQ-AEFFLSMTSA-N 2 1 343.496 3.010 20 0 EGADMP CC(C)n1ccnc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377335669 169011677 /nfs/dbraw/zinc/01/16/77/169011677.db2.gz HRXLUOOTEBGEAU-PMACEKPBSA-N 2 1 338.499 3.418 20 0 EGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(C)ccc1OC ZINC000091723112 218053189 /nfs/dbraw/zinc/05/31/89/218053189.db2.gz HFZMCXKVXBQAFH-IEBWSBKVSA-N 2 1 334.504 3.281 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3nccs3)CC2)oc1C ZINC000091723688 218053913 /nfs/dbraw/zinc/05/39/13/218053913.db2.gz POHUQXHVRMXZRS-ZDUSSCGKSA-N 2 1 334.489 3.311 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]C3CC[NH+](C4CCCC4)CC3)c(C)n2n1 ZINC000091733365 218055081 /nfs/dbraw/zinc/05/50/81/218055081.db2.gz WIGQXSRSZJWSJZ-OAHLLOKOSA-N 2 1 341.503 3.404 20 0 EGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccnc1 ZINC000092738671 218163582 /nfs/dbraw/zinc/16/35/82/218163582.db2.gz ARWUUMYRBTYUEO-GHTZIAJQSA-N 2 1 338.499 3.111 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cccnc3)cc2)CC1 ZINC000092739566 218163864 /nfs/dbraw/zinc/16/38/64/218163864.db2.gz CBUGNPBLCHMCHM-SFHVURJKSA-N 2 1 338.499 3.070 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000093692991 218241866 /nfs/dbraw/zinc/24/18/66/218241866.db2.gz VWQHFGWQANCEGS-INIZCTEOSA-N 2 1 326.431 3.494 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000093692991 218241869 /nfs/dbraw/zinc/24/18/69/218241869.db2.gz VWQHFGWQANCEGS-INIZCTEOSA-N 2 1 326.431 3.494 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCOCc2ccccc2)[C@@H](C)C1 ZINC000268750416 252202055 /nfs/dbraw/zinc/20/20/55/252202055.db2.gz UVHSBDJHPDMANU-FPOVZHCZSA-N 2 1 348.531 3.320 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000268755769 252205894 /nfs/dbraw/zinc/20/58/94/252205894.db2.gz LPQMBZWPXBBFSD-TYCQWZJGSA-N 2 1 342.458 3.359 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000268817110 252269168 /nfs/dbraw/zinc/26/91/68/252269168.db2.gz GMFSBFRJSQITBU-GJZGRUSLSA-N 2 1 347.528 3.225 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccc(COC)o1 ZINC000268816986 252269295 /nfs/dbraw/zinc/26/92/95/252269295.db2.gz WFADGKXLRXMYJK-UHFFFAOYSA-N 2 1 346.471 3.436 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)Cc2ccccc2)cc1 ZINC000268861890 252310017 /nfs/dbraw/zinc/31/00/17/252310017.db2.gz IAWWSJNALACRMN-IIBYNOLFSA-N 2 1 335.451 3.435 20 0 EGADMP COc1ccc2c(c1)[C@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CCC2 ZINC000268867727 252317239 /nfs/dbraw/zinc/31/72/39/252317239.db2.gz JIYWFIJQBASNQI-HXUWFJFHSA-N 2 1 344.499 3.307 20 0 EGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132935859 533415592 /nfs/dbraw/zinc/41/55/92/533415592.db2.gz AYGXLKNPFINGJO-IRXDYDNUSA-N 2 1 332.488 3.155 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000168509258 533589647 /nfs/dbraw/zinc/58/96/47/533589647.db2.gz JGSVONFGWIUOHM-LMCOJAPRSA-N 2 1 343.515 3.015 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000237471803 141003624 /nfs/dbraw/zinc/00/36/24/141003624.db2.gz QZOBEGJKHUQUCC-QGZVFWFLSA-N 2 1 343.515 3.196 20 0 EGADMP CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000338096159 141092916 /nfs/dbraw/zinc/09/29/16/141092916.db2.gz RFJMSOAFINMCNZ-LJQANCHMSA-N 2 1 343.515 3.134 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCCCC2)cc1 ZINC000178464726 144071949 /nfs/dbraw/zinc/07/19/49/144071949.db2.gz NKONLUKIPXYZAU-HZPDHXFCSA-N 2 1 340.471 3.232 20 0 EGADMP CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000185601974 144116006 /nfs/dbraw/zinc/11/60/06/144116006.db2.gz MWKIHTCLKLRPIE-PXNSSMCTSA-N 2 1 343.515 3.019 20 0 EGADMP CC[N@@H+](CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CC1 ZINC000343216568 144195905 /nfs/dbraw/zinc/19/59/05/144195905.db2.gz GZWVAHMOWNMJSM-UHFFFAOYSA-N 2 1 329.488 3.138 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC3(CCCO3)CC2)[C@@H](C)C1 ZINC000370063683 286061966 /nfs/dbraw/zinc/06/19/66/286061966.db2.gz RSULDVMBRPDPOG-IQNGYNMSSA-N 2 1 338.536 3.205 20 0 EGADMP Cc1noc([C@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000677819761 549337544 /nfs/dbraw/zinc/33/75/44/549337544.db2.gz QEVPAWGKDCWMSP-INIZCTEOSA-N 2 1 340.471 3.427 20 0 EGADMP Cc1noc([C@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000677819761 549337546 /nfs/dbraw/zinc/33/75/46/549337546.db2.gz QEVPAWGKDCWMSP-INIZCTEOSA-N 2 1 340.471 3.427 20 0 EGADMP CO[C@]1(C)CCC[NH+](CCCCC[N@@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348227706 286160322 /nfs/dbraw/zinc/16/03/22/286160322.db2.gz FFQASIPGSDZCJA-RTBURBONSA-N 2 1 326.525 3.159 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C12CCCC2 ZINC000344075997 286280441 /nfs/dbraw/zinc/28/04/41/286280441.db2.gz XXYLMHBOJIPAHI-FCGDIQPGSA-N 2 1 338.536 3.203 20 0 EGADMP Cc1ccc2ncc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000192925187 153268475 /nfs/dbraw/zinc/26/84/75/153268475.db2.gz SQBLZWRAIMWNBI-LJQANCHMSA-N 2 1 334.467 3.254 20 0 EGADMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])Nc3ccccc3)CC2)oc1C ZINC000304067136 154067337 /nfs/dbraw/zinc/06/73/37/154067337.db2.gz UFUZQRVACLOHHH-UHFFFAOYSA-N 2 1 341.459 3.140 20 0 EGADMP CCn1cc([C@H](C)[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000310080488 154138106 /nfs/dbraw/zinc/13/81/06/154138106.db2.gz IZANHKUNJVBQMO-PXNSSMCTSA-N 2 1 326.488 3.466 20 0 EGADMP CCn1cc([C@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000310080488 154138108 /nfs/dbraw/zinc/13/81/08/154138108.db2.gz IZANHKUNJVBQMO-PXNSSMCTSA-N 2 1 326.488 3.466 20 0 EGADMP C[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000310088346 154139541 /nfs/dbraw/zinc/13/95/41/154139541.db2.gz PHIUMTMIAPRFNO-NJDAHSKKSA-N 2 1 327.516 3.115 20 0 EGADMP C[C@]1(CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000310088346 154139544 /nfs/dbraw/zinc/13/95/44/154139544.db2.gz PHIUMTMIAPRFNO-NJDAHSKKSA-N 2 1 327.516 3.115 20 0 EGADMP C[C@]1(CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310088346 154139549 /nfs/dbraw/zinc/13/95/49/154139549.db2.gz PHIUMTMIAPRFNO-NJDAHSKKSA-N 2 1 327.516 3.115 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000310088346 154139551 /nfs/dbraw/zinc/13/95/51/154139551.db2.gz PHIUMTMIAPRFNO-NJDAHSKKSA-N 3 1 327.516 3.115 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000310088346 154139557 /nfs/dbraw/zinc/13/95/57/154139557.db2.gz PHIUMTMIAPRFNO-NJDAHSKKSA-N 3 1 327.516 3.115 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000310088346 154139559 /nfs/dbraw/zinc/13/95/59/154139559.db2.gz PHIUMTMIAPRFNO-NJDAHSKKSA-N 3 1 327.516 3.115 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310088346 154139562 /nfs/dbraw/zinc/13/95/62/154139562.db2.gz PHIUMTMIAPRFNO-NJDAHSKKSA-N 3 1 327.516 3.115 20 0 EGADMP C[C@@H]([NH2+]Cc1cnn2ccccc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311045032 154144746 /nfs/dbraw/zinc/14/47/46/154144746.db2.gz FREQQVUJYCCYEJ-MJGOQNOKSA-N 2 1 334.467 3.335 20 0 EGADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C[C@@H]1CCCCC1(C)C ZINC000337375253 154317479 /nfs/dbraw/zinc/31/74/79/154317479.db2.gz UQQAQESOXFXXIR-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C[C@@H]1CCCCC1(C)C ZINC000337375253 154317483 /nfs/dbraw/zinc/31/74/83/154317483.db2.gz UQQAQESOXFXXIR-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP COc1cc(C)c(C[C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000337388297 154326204 /nfs/dbraw/zinc/32/62/04/154326204.db2.gz MGDRDSIXQHLRMS-OAHLLOKOSA-N 2 1 331.460 3.128 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OCC(C)C ZINC000346859407 156166994 /nfs/dbraw/zinc/16/69/94/156166994.db2.gz YKZRFEPANFTNBQ-OKZBNKHCSA-N 2 1 332.488 3.289 20 0 EGADMP CCC[N@@H+](Cc1cc(OC)c(OCC)c(OC)c1)C1CC[NH2+]CC1 ZINC000347027151 156257006 /nfs/dbraw/zinc/25/70/06/156257006.db2.gz UQZGXMVYWJPEPB-UHFFFAOYSA-N 2 1 336.476 3.067 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000093792679 162027551 /nfs/dbraw/zinc/02/75/51/162027551.db2.gz DHIWXUQYFYOQBM-QUCCMNQESA-N 2 1 332.488 3.018 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000093792679 162027554 /nfs/dbraw/zinc/02/75/54/162027554.db2.gz DHIWXUQYFYOQBM-QUCCMNQESA-N 2 1 332.488 3.018 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000093792679 162027558 /nfs/dbraw/zinc/02/75/58/162027558.db2.gz DHIWXUQYFYOQBM-QUCCMNQESA-N 2 1 332.488 3.018 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000093792679 162027562 /nfs/dbraw/zinc/02/75/62/162027562.db2.gz DHIWXUQYFYOQBM-QUCCMNQESA-N 2 1 332.488 3.018 20 0 EGADMP COC[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000131139917 162392156 /nfs/dbraw/zinc/39/21/56/162392156.db2.gz IHMQGAJMJUYQIK-WQVCFCJDSA-N 2 1 330.394 3.465 20 0 EGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@H]2CCO[C@@H]21 ZINC000248413475 163003185 /nfs/dbraw/zinc/00/31/85/163003185.db2.gz LGWGMPBKMLWYLR-RZTRGMPVSA-N 2 1 340.511 3.300 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000249089724 163055315 /nfs/dbraw/zinc/05/53/15/163055315.db2.gz KDENHHGLPDEEFY-JSXRDJHFSA-N 2 1 340.511 3.446 20 0 EGADMP CC(C)OC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338334461 163214196 /nfs/dbraw/zinc/21/41/96/163214196.db2.gz VOFBRZFHJIUXFI-GOSISDBHSA-N 2 1 332.488 3.218 20 0 EGADMP CC(C)OC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338334461 163214198 /nfs/dbraw/zinc/21/41/98/163214198.db2.gz VOFBRZFHJIUXFI-GOSISDBHSA-N 2 1 332.488 3.218 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1)c1ccccc1 ZINC000343778935 164032875 /nfs/dbraw/zinc/03/28/75/164032875.db2.gz XNNWHLWOWKFWTP-HKUYNNGSSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1)c1ccccc1 ZINC000343778935 164032876 /nfs/dbraw/zinc/03/28/76/164032876.db2.gz XNNWHLWOWKFWTP-HKUYNNGSSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000343778935 164032878 /nfs/dbraw/zinc/03/28/78/164032878.db2.gz XNNWHLWOWKFWTP-HKUYNNGSSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000343778935 164032880 /nfs/dbraw/zinc/03/28/80/164032880.db2.gz XNNWHLWOWKFWTP-HKUYNNGSSA-N 2 1 345.531 3.306 20 0 EGADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000344102919 164103425 /nfs/dbraw/zinc/10/34/25/164103425.db2.gz UYDJPPHRWOXLMS-VQTJNVASSA-N 2 1 346.515 3.202 20 0 EGADMP COC[C@@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)c1ccc(F)cc1 ZINC000344237546 164133178 /nfs/dbraw/zinc/13/31/78/164133178.db2.gz WQXLLOYRAPILHX-LJQANCHMSA-N 2 1 340.402 3.192 20 0 EGADMP Cc1cc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cn2ccnc12 ZINC000355428968 166196922 /nfs/dbraw/zinc/19/69/22/166196922.db2.gz ZILWAHYGAYVTKY-HNNXBMFYSA-N 2 1 326.444 3.236 20 0 EGADMP Cc1cc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cn2cc[nH+]c12 ZINC000355428968 166196924 /nfs/dbraw/zinc/19/69/24/166196924.db2.gz ZILWAHYGAYVTKY-HNNXBMFYSA-N 2 1 326.444 3.236 20 0 EGADMP Cc1cc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cn2cc[nH+]c12 ZINC000355428968 166196927 /nfs/dbraw/zinc/19/69/27/166196927.db2.gz ZILWAHYGAYVTKY-HNNXBMFYSA-N 2 1 326.444 3.236 20 0 EGADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(Cl)o1 ZINC000358973363 167023412 /nfs/dbraw/zinc/02/34/12/167023412.db2.gz HUTMSPIXFPAYOX-MRXNPFEDSA-N 2 1 334.847 3.180 20 0 EGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(Cl)o1 ZINC000358973363 167023416 /nfs/dbraw/zinc/02/34/16/167023416.db2.gz HUTMSPIXFPAYOX-MRXNPFEDSA-N 2 1 334.847 3.180 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(OC)CCC(C)CC2)[C@@H](C)C1 ZINC000359024422 167041845 /nfs/dbraw/zinc/04/18/45/167041845.db2.gz DPRVBSFKAYVSAL-NUVZVAJJSA-N 2 1 340.552 3.308 20 0 EGADMP Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000359232275 167102711 /nfs/dbraw/zinc/10/27/11/167102711.db2.gz IVEPIKFKXYEQFY-SIKLNZKXSA-N 2 1 336.479 3.339 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@H](C)C3)cc2)CC1 ZINC000360720166 167396206 /nfs/dbraw/zinc/39/62/06/167396206.db2.gz XOVWLMHFMBMOIJ-RXVVDRJESA-N 2 1 329.532 3.492 20 0 EGADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnn3ccccc23)CC1 ZINC000367621193 168251378 /nfs/dbraw/zinc/25/13/78/168251378.db2.gz DTTDBPBLABMYMP-QFBILLFUSA-N 2 1 326.488 3.467 20 0 EGADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000367894711 168281551 /nfs/dbraw/zinc/28/15/51/168281551.db2.gz FNLCLYNGMYBEJH-KBMXLJTQSA-N 2 1 334.426 3.483 20 0 EGADMP COCCCOc1cc(C)ccc1C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000167237944 226184565 /nfs/dbraw/zinc/18/45/65/226184565.db2.gz WVTIHBSTKSGYPV-LNLFQRSKSA-N 2 1 334.504 3.229 20 0 EGADMP COCCCOc1cc(C)ccc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000167237944 226184569 /nfs/dbraw/zinc/18/45/69/226184569.db2.gz WVTIHBSTKSGYPV-LNLFQRSKSA-N 2 1 334.504 3.229 20 0 EGADMP Fc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000166365758 226156355 /nfs/dbraw/zinc/15/63/55/226156355.db2.gz QCNRJKROINLCQD-ZIAGYGMSSA-N 2 1 341.268 3.347 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000165123439 264927474 /nfs/dbraw/zinc/92/74/74/264927474.db2.gz MDBROHLIDFPDPC-HCXYKTFWSA-N 2 1 337.552 3.158 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Br)cc2)[C@H](C)C1 ZINC000178424827 265315974 /nfs/dbraw/zinc/31/59/74/265315974.db2.gz FCPLYSUYVMTNFW-CZUORRHYSA-N 2 1 325.294 3.312 20 0 EGADMP C[C@H](CCc1ccccc1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250278632 266263100 /nfs/dbraw/zinc/26/31/00/266263100.db2.gz AMKATZZEMWGNJV-NJYVYQBISA-N 2 1 343.559 3.498 20 0 EGADMP Cc1nc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cs1 ZINC000269443605 266295574 /nfs/dbraw/zinc/29/55/74/266295574.db2.gz UDWSNDJGYDHACD-LBPRGKRZSA-N 2 1 331.489 3.178 20 0 EGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCCn1cc[nH+]c1C ZINC000270608565 266533246 /nfs/dbraw/zinc/53/32/46/266533246.db2.gz HHFXWUHXJTYESY-QGZVFWFLSA-N 2 1 331.460 3.210 20 0 EGADMP Cc1nccn1CCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274128113 267186174 /nfs/dbraw/zinc/18/61/74/267186174.db2.gz XZFGQTSWZKNZRN-WGMWDUQUSA-N 2 1 340.515 3.328 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274128113 267186177 /nfs/dbraw/zinc/18/61/77/267186177.db2.gz XZFGQTSWZKNZRN-WGMWDUQUSA-N 3 1 340.515 3.328 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274128113 267186179 /nfs/dbraw/zinc/18/61/79/267186179.db2.gz XZFGQTSWZKNZRN-WGMWDUQUSA-N 3 1 340.515 3.328 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)CC[NH+](C)C2CC2)cc1 ZINC000274587987 267259535 /nfs/dbraw/zinc/25/95/35/267259535.db2.gz PWCUVPXUFVEYBA-UHFFFAOYSA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CC2)cc1 ZINC000274587987 267259537 /nfs/dbraw/zinc/25/95/37/267259537.db2.gz PWCUVPXUFVEYBA-UHFFFAOYSA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC2)cc1 ZINC000274587987 267259541 /nfs/dbraw/zinc/25/95/41/267259541.db2.gz PWCUVPXUFVEYBA-UHFFFAOYSA-N 2 1 331.504 3.085 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)[C@@H](C)C1 ZINC000274777257 267284887 /nfs/dbraw/zinc/28/48/87/267284887.db2.gz OHZHRZWXKWJVJV-PXNSSMCTSA-N 2 1 348.531 3.141 20 0 EGADMP C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274911400 267305246 /nfs/dbraw/zinc/30/52/46/267305246.db2.gz NGSUACUAZUATAC-KCLUMXDGSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274911400 267305249 /nfs/dbraw/zinc/30/52/49/267305249.db2.gz NGSUACUAZUATAC-KCLUMXDGSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274911400 267305253 /nfs/dbraw/zinc/30/52/53/267305253.db2.gz NGSUACUAZUATAC-KCLUMXDGSA-N 3 1 329.532 3.359 20 0 EGADMP COc1ncccc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274935646 267309454 /nfs/dbraw/zinc/30/94/54/267309454.db2.gz RYUVXGOONMXGTP-QFBILLFUSA-N 2 1 325.456 3.090 20 0 EGADMP COc1ncccc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274935646 267309455 /nfs/dbraw/zinc/30/94/55/267309455.db2.gz RYUVXGOONMXGTP-QFBILLFUSA-N 2 1 325.456 3.090 20 0 EGADMP CN1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000278489197 268024909 /nfs/dbraw/zinc/02/49/09/268024909.db2.gz BIMZPVJQFWNTRU-KSEOMHKRSA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC(N[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000278489197 268024910 /nfs/dbraw/zinc/02/49/10/268024910.db2.gz BIMZPVJQFWNTRU-KSEOMHKRSA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC(N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000278489197 268024913 /nfs/dbraw/zinc/02/49/13/268024913.db2.gz BIMZPVJQFWNTRU-KSEOMHKRSA-N 2 1 341.543 3.361 20 0 EGADMP CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000179701815 275203157 /nfs/dbraw/zinc/20/31/57/275203157.db2.gz OXIBYPUDUOFOGX-LJQANCHMSA-N 2 1 332.488 3.345 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](c3ccccc3)C(C)C)C2)CC1 ZINC000279510300 275336179 /nfs/dbraw/zinc/33/61/79/275336179.db2.gz AIOJEXDUTCSCKE-LEWJYISDSA-N 2 1 329.532 3.138 20 0 EGADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)oc1C ZINC000282175189 275608864 /nfs/dbraw/zinc/60/88/64/275608864.db2.gz MMJAGELLUZXKJV-HNNXBMFYSA-N 2 1 343.471 3.039 20 0 EGADMP CC(C)[C@H](Cn1cccn1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000283890886 275758923 /nfs/dbraw/zinc/75/89/23/275758923.db2.gz CNTGIBFMNJINLG-NRFANRHFSA-N 2 1 340.515 3.204 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](Cn2cccn2)C(C)C)cc1F ZINC000284233938 275784491 /nfs/dbraw/zinc/78/44/91/275784491.db2.gz USYYAFKZPBYKDA-SFHVURJKSA-N 2 1 341.434 3.331 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000248040663 276078286 /nfs/dbraw/zinc/07/82/86/276078286.db2.gz VNPGDZDSTXOZDF-RMJJICAUSA-N 2 1 345.531 3.162 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000248040663 276078288 /nfs/dbraw/zinc/07/82/88/276078288.db2.gz VNPGDZDSTXOZDF-RMJJICAUSA-N 2 1 345.531 3.162 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000248040663 276078290 /nfs/dbraw/zinc/07/82/90/276078290.db2.gz VNPGDZDSTXOZDF-RMJJICAUSA-N 2 1 345.531 3.162 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000248040663 276078291 /nfs/dbraw/zinc/07/82/91/276078291.db2.gz VNPGDZDSTXOZDF-RMJJICAUSA-N 2 1 345.531 3.162 20 0 EGADMP CC[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000358231517 276175983 /nfs/dbraw/zinc/17/59/83/276175983.db2.gz TWDBREZTGCEGKY-CEWLAPEOSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000358231517 276175984 /nfs/dbraw/zinc/17/59/84/276175984.db2.gz TWDBREZTGCEGKY-CEWLAPEOSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000358231517 276175985 /nfs/dbraw/zinc/17/59/85/276175985.db2.gz TWDBREZTGCEGKY-CEWLAPEOSA-N 2 1 329.532 3.361 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000346959054 276207332 /nfs/dbraw/zinc/20/73/32/276207332.db2.gz CUHYBKAJNIQKJM-ZWKOTPCHSA-N 2 1 345.531 3.276 20 0 EGADMP C[N@H+](Cc1c[nH]nc1-c1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289691801 276379118 /nfs/dbraw/zinc/37/91/18/276379118.db2.gz OHWFFKOUUPCSIM-XYPWUTKMSA-N 2 1 328.435 3.273 20 0 EGADMP C[N@@H+](Cc1c[nH]nc1-c1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289691801 276379119 /nfs/dbraw/zinc/37/91/19/276379119.db2.gz OHWFFKOUUPCSIM-XYPWUTKMSA-N 2 1 328.435 3.273 20 0 EGADMP C[NH+](Cc1c[nH]nc1-c1ccccc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289691801 276379120 /nfs/dbraw/zinc/37/91/20/276379120.db2.gz OHWFFKOUUPCSIM-XYPWUTKMSA-N 2 1 328.435 3.273 20 0 EGADMP C[NH+](Cc1c[nH]nc1-c1ccccc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289691801 276379122 /nfs/dbraw/zinc/37/91/22/276379122.db2.gz OHWFFKOUUPCSIM-XYPWUTKMSA-N 2 1 328.435 3.273 20 0 EGADMP Cc1nnc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000289789418 276395036 /nfs/dbraw/zinc/39/50/36/276395036.db2.gz NBLWNQNJKLEGOM-GFCCVEGCSA-N 2 1 327.457 3.234 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Br)nc1 ZINC000289803368 276397768 /nfs/dbraw/zinc/39/77/68/276397768.db2.gz PAUBBBYWAZNLGY-LBPRGKRZSA-N 2 1 338.293 3.369 20 0 EGADMP Cc1cc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(C)o1 ZINC000290508496 276504885 /nfs/dbraw/zinc/50/48/85/276504885.db2.gz YMJWFIIFOKGOAJ-HNNXBMFYSA-N 2 1 331.460 3.473 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccccc1Cl ZINC000060161692 307350661 /nfs/dbraw/zinc/35/06/61/307350661.db2.gz JLGYCZYSWFODKO-KRWDZBQOSA-N 2 1 339.911 3.179 20 0 EGADMP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)[C@@H](C)O1 ZINC000414283607 309070594 /nfs/dbraw/zinc/07/05/94/309070594.db2.gz PHRNMMMZIBPXHK-NUJGCVRESA-N 2 1 334.479 3.236 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCCCn1cc[nH+]c1C ZINC000414355986 309074780 /nfs/dbraw/zinc/07/47/80/309074780.db2.gz CZZPEAOVFKGELS-UHFFFAOYSA-N 2 1 341.434 3.395 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC[N@@H+]1C ZINC000248828433 308012385 /nfs/dbraw/zinc/01/23/85/308012385.db2.gz GVBZLYKBJNIGHC-DJIMGWMZSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC[N@H+]1C ZINC000248828433 308012387 /nfs/dbraw/zinc/01/23/87/308012387.db2.gz GVBZLYKBJNIGHC-DJIMGWMZSA-N 2 1 339.524 3.142 20 0 EGADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3OCc3ccccn3)C2)C1 ZINC000292850822 308072429 /nfs/dbraw/zinc/07/24/29/308072429.db2.gz UAPRLJNGOYZHDM-OAQYLSRUSA-N 2 1 337.467 3.188 20 0 EGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3OCc3ccccn3)C2)C1 ZINC000292850822 308072430 /nfs/dbraw/zinc/07/24/30/308072430.db2.gz UAPRLJNGOYZHDM-OAQYLSRUSA-N 2 1 337.467 3.188 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3OCc3ccccn3)C2)C1 ZINC000292850822 308072431 /nfs/dbraw/zinc/07/24/31/308072431.db2.gz UAPRLJNGOYZHDM-OAQYLSRUSA-N 2 1 337.467 3.188 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3OCc3ccccn3)C2)C1 ZINC000292850822 308072432 /nfs/dbraw/zinc/07/24/32/308072432.db2.gz UAPRLJNGOYZHDM-OAQYLSRUSA-N 2 1 337.467 3.188 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3OCc3ccccn3)C2)C1 ZINC000292850822 308072433 /nfs/dbraw/zinc/07/24/33/308072433.db2.gz UAPRLJNGOYZHDM-OAQYLSRUSA-N 2 1 337.467 3.188 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292872769 308074723 /nfs/dbraw/zinc/07/47/23/308074723.db2.gz WPLABPZBRCCZMH-OAQYLSRUSA-N 2 1 329.532 3.172 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292872769 308074725 /nfs/dbraw/zinc/07/47/25/308074725.db2.gz WPLABPZBRCCZMH-OAQYLSRUSA-N 2 1 329.532 3.172 20 0 EGADMP COc1ccc(-c2ccncc2)cc1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292874036 308075144 /nfs/dbraw/zinc/07/51/44/308075144.db2.gz WSDCGCHKSYBJTP-OAQYLSRUSA-N 2 1 337.467 3.285 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292874036 308075146 /nfs/dbraw/zinc/07/51/46/308075146.db2.gz WSDCGCHKSYBJTP-OAQYLSRUSA-N 2 1 337.467 3.285 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292874036 308075148 /nfs/dbraw/zinc/07/51/48/308075148.db2.gz WSDCGCHKSYBJTP-OAQYLSRUSA-N 2 1 337.467 3.285 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292874036 308075150 /nfs/dbraw/zinc/07/51/50/308075150.db2.gz WSDCGCHKSYBJTP-OAQYLSRUSA-N 2 1 337.467 3.285 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCCN[C@H](c2nc[nH]n2)c2ccc(F)cc2)C1 ZINC000293670245 308151336 /nfs/dbraw/zinc/15/13/36/308151336.db2.gz JRXZUESHZBQLPX-YJBOKZPZSA-N 2 1 345.466 3.135 20 0 EGADMP CSc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000295076341 308288588 /nfs/dbraw/zinc/28/85/88/308288588.db2.gz SPVDMFMPFSXXCP-SAKMYQHLSA-N 2 1 335.561 3.330 20 0 EGADMP CSc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000295076341 308288590 /nfs/dbraw/zinc/28/85/90/308288590.db2.gz SPVDMFMPFSXXCP-SAKMYQHLSA-N 2 1 335.561 3.330 20 0 EGADMP CSc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000295076341 308288591 /nfs/dbraw/zinc/28/85/91/308288591.db2.gz SPVDMFMPFSXXCP-SAKMYQHLSA-N 2 1 335.561 3.330 20 0 EGADMP CSc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000295076340 308288646 /nfs/dbraw/zinc/28/86/46/308288646.db2.gz SPVDMFMPFSXXCP-RGCFKVTRSA-N 2 1 335.561 3.330 20 0 EGADMP CSc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000295076340 308288648 /nfs/dbraw/zinc/28/86/48/308288648.db2.gz SPVDMFMPFSXXCP-RGCFKVTRSA-N 2 1 335.561 3.330 20 0 EGADMP CSc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000295076340 308288649 /nfs/dbraw/zinc/28/86/49/308288649.db2.gz SPVDMFMPFSXXCP-RGCFKVTRSA-N 2 1 335.561 3.330 20 0 EGADMP CSc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000295076342 308288685 /nfs/dbraw/zinc/28/86/85/308288685.db2.gz SPVDMFMPFSXXCP-SFUIVIKGSA-N 2 1 335.561 3.330 20 0 EGADMP CSc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000295076342 308288686 /nfs/dbraw/zinc/28/86/86/308288686.db2.gz SPVDMFMPFSXXCP-SFUIVIKGSA-N 2 1 335.561 3.330 20 0 EGADMP CSc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000295076342 308288687 /nfs/dbraw/zinc/28/86/87/308288687.db2.gz SPVDMFMPFSXXCP-SFUIVIKGSA-N 2 1 335.561 3.330 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c2nccn21 ZINC000295236879 308306024 /nfs/dbraw/zinc/30/60/24/308306024.db2.gz ONCQKMFZBJRMSG-QAPCUYQASA-N 2 1 328.460 3.009 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000414642898 309093297 /nfs/dbraw/zinc/09/32/97/309093297.db2.gz KDPQHPPNPYAALF-DNVCBOLYSA-N 2 1 348.450 3.431 20 0 EGADMP C[NH2+][C@@H](C)Cc1noc([C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n1 ZINC000414653528 309093626 /nfs/dbraw/zinc/09/36/26/309093626.db2.gz XQBJCLLPRUHHSK-ZFWWWQNUSA-N 2 1 343.475 3.194 20 0 EGADMP Cc1cccc([C@H]2CCCC[N@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)c1C ZINC000414700384 309096148 /nfs/dbraw/zinc/09/61/48/309096148.db2.gz GGZHAHRQICUXBR-UYAOXDASSA-N 2 1 343.515 3.028 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706324 309096372 /nfs/dbraw/zinc/09/63/72/309096372.db2.gz LPRKLBVZWHKPOV-PSWRPDDJSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706324 309096373 /nfs/dbraw/zinc/09/63/73/309096373.db2.gz LPRKLBVZWHKPOV-PSWRPDDJSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706324 309096374 /nfs/dbraw/zinc/09/63/74/309096374.db2.gz LPRKLBVZWHKPOV-PSWRPDDJSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H](CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706324 309096375 /nfs/dbraw/zinc/09/63/75/309096375.db2.gz LPRKLBVZWHKPOV-PSWRPDDJSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H](CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706324 309096376 /nfs/dbraw/zinc/09/63/76/309096376.db2.gz LPRKLBVZWHKPOV-PSWRPDDJSA-N 2 1 341.543 3.361 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)NC(C)(C)C[NH3+])C1CCCCC1 ZINC000414706151 309096378 /nfs/dbraw/zinc/09/63/78/309096378.db2.gz GKHHCVBGEXDZRN-UHFFFAOYSA-N 2 1 332.492 3.310 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CC[NH2+]1 ZINC000414715664 309097082 /nfs/dbraw/zinc/09/70/82/309097082.db2.gz ZBJGNEKGCVHHOJ-CKEIUWERSA-N 2 1 340.414 3.049 20 0 EGADMP CCC[N@H+](Cc1cn(-c2cccc(F)c2)nc1C)C1CC[NH2+]CC1 ZINC000414661448 309094415 /nfs/dbraw/zinc/09/44/15/309094415.db2.gz XFGQSBNNDGSUJM-UHFFFAOYSA-N 2 1 330.451 3.284 20 0 EGADMP CCC[N@@H+](Cc1cn(-c2cccc(F)c2)nc1C)C1CC[NH2+]CC1 ZINC000414661448 309094416 /nfs/dbraw/zinc/09/44/16/309094416.db2.gz XFGQSBNNDGSUJM-UHFFFAOYSA-N 2 1 330.451 3.284 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414682424 309095397 /nfs/dbraw/zinc/09/53/97/309095397.db2.gz REJZNOVXLXNDDY-AEFFLSMTSA-N 2 1 335.923 3.236 20 0 EGADMP C[C@@H]([N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)C ZINC000414736349 309098032 /nfs/dbraw/zinc/09/80/32/309098032.db2.gz GOHSJJMNYPAYFP-IEBWSBKVSA-N 2 1 345.531 3.121 20 0 EGADMP C[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc(Br)c1 ZINC000414764868 309099347 /nfs/dbraw/zinc/09/93/47/309099347.db2.gz DRYMLFUJPTYFCH-BMFZPTHFSA-N 2 1 337.305 3.484 20 0 EGADMP COc1cc(Cl)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Cl ZINC000414767020 309099540 /nfs/dbraw/zinc/09/95/40/309099540.db2.gz JCIUPCFJGHDJAE-TXEJJXNPSA-N 2 1 329.271 3.433 20 0 EGADMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C2CCCCC2)n1 ZINC000414777348 309100244 /nfs/dbraw/zinc/10/02/44/309100244.db2.gz ICTKYHNMWOHINL-ROUUACIJSA-N 2 1 330.520 3.289 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CC12CCOCC2 ZINC000414783233 309100775 /nfs/dbraw/zinc/10/07/75/309100775.db2.gz PRPUSNFNQBZGGD-OAHLLOKOSA-N 2 1 345.874 3.076 20 0 EGADMP Brc1ccsc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784449 309100990 /nfs/dbraw/zinc/10/09/90/309100990.db2.gz RHIAFEPCXREWQN-NWDGAFQWSA-N 2 1 329.307 3.332 20 0 EGADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000414807519 309102697 /nfs/dbraw/zinc/10/26/97/309102697.db2.gz RDJYIGAAGPFJHB-RHSMWYFYSA-N 2 1 331.485 3.329 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000414898578 309108109 /nfs/dbraw/zinc/10/81/09/309108109.db2.gz GIPZSIZVOWEFKY-QGZVFWFLSA-N 2 1 341.459 3.010 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415032845 309115421 /nfs/dbraw/zinc/11/54/21/309115421.db2.gz AZQISBPUSNTBCJ-HUUCEWRRSA-N 2 1 340.414 3.261 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415059129 309117353 /nfs/dbraw/zinc/11/73/53/309117353.db2.gz WSHZTZFXYUEWFA-JXFKEZNVSA-N 2 1 342.462 3.284 20 0 EGADMP CCn1c2ccccc2c2cc(C[N@H+]3CCCO[C@@H](C[NH3+])C3)ccc21 ZINC000415115048 309121334 /nfs/dbraw/zinc/12/13/34/309121334.db2.gz TXIZNKHXVKEPOR-KRWDZBQOSA-N 2 1 337.467 3.364 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000415125390 309122166 /nfs/dbraw/zinc/12/21/66/309122166.db2.gz LDGYCTCUBWUVGX-GXTWGEPZSA-N 2 1 346.393 3.053 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415129355 309122601 /nfs/dbraw/zinc/12/26/01/309122601.db2.gz PHCOOGAMLOFAGP-BBRMVZONSA-N 2 1 330.451 3.045 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000415908354 309147625 /nfs/dbraw/zinc/14/76/25/309147625.db2.gz DBJSFZRKTLZXKA-SFHVURJKSA-N 2 1 346.519 3.286 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415970696 309152007 /nfs/dbraw/zinc/15/20/07/309152007.db2.gz FSPYYNVSRUNGQD-IYBDPMFKSA-N 2 1 332.492 3.025 20 0 EGADMP C[C@@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000416128784 309159920 /nfs/dbraw/zinc/15/99/20/309159920.db2.gz GYCHNAAACRKGOT-AOIWGVFYSA-N 2 1 331.504 3.059 20 0 EGADMP CCCNC(=O)CCC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000419137813 309260705 /nfs/dbraw/zinc/26/07/05/309260705.db2.gz PVLYDADSVRUPDE-GOSISDBHSA-N 2 1 345.531 3.315 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420298643 309280249 /nfs/dbraw/zinc/28/02/49/309280249.db2.gz FMTNBHVCBIHZRQ-ACRUOGEOSA-N 2 1 326.484 3.391 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420309709 309280953 /nfs/dbraw/zinc/28/09/53/309280953.db2.gz FGFHHMFZFLVDID-HZPDHXFCSA-N 2 1 342.874 3.147 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420309709 309280954 /nfs/dbraw/zinc/28/09/54/309280954.db2.gz FGFHHMFZFLVDID-HZPDHXFCSA-N 2 1 342.874 3.147 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420308291 309280990 /nfs/dbraw/zinc/28/09/90/309280990.db2.gz NJSBGQJWUUWSHC-LXZKKBNFSA-N 2 1 342.439 3.169 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000420319261 309281937 /nfs/dbraw/zinc/28/19/37/309281937.db2.gz OZMXCGOTNZXPQJ-UONOGXRCSA-N 2 1 330.863 3.275 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cn2)C[C@H]1c1ccccc1 ZINC000420323477 309282265 /nfs/dbraw/zinc/28/22/65/309282265.db2.gz XYZFJHCICYOJPG-PBHICJAKSA-N 2 1 335.373 3.275 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H](c3nc(C)cs3)C2)cc1 ZINC000420327353 309282325 /nfs/dbraw/zinc/28/23/25/309282325.db2.gz YOIKMMDXBMERTB-IRXDYDNUSA-N 2 1 345.512 3.382 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329434 309282532 /nfs/dbraw/zinc/28/25/32/309282532.db2.gz GTZMNSUJTYPKGB-RYQLBKOJSA-N 2 1 337.467 3.098 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420339517 309283204 /nfs/dbraw/zinc/28/32/04/309283204.db2.gz LXJQPPSVFATALD-HZPDHXFCSA-N 2 1 347.528 3.059 20 0 EGADMP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420344061 309283456 /nfs/dbraw/zinc/28/34/56/309283456.db2.gz RVRDGXOYAPOXQI-JYJNAYRXSA-N 2 1 347.528 3.057 20 0 EGADMP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CC[C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000420359430 309284071 /nfs/dbraw/zinc/28/40/71/309284071.db2.gz KMEQJFQRAHMGEA-IAGOWNOFSA-N 2 1 326.488 3.440 20 0 EGADMP Cc1ccc2nc([C@@H]3CCC[N@H+](CC[C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC000420359430 309284072 /nfs/dbraw/zinc/28/40/72/309284072.db2.gz KMEQJFQRAHMGEA-IAGOWNOFSA-N 2 1 326.488 3.440 20 0 EGADMP Cc1ccc2nc([C@@H]3CCC[N@@H+](CC[C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC000420359430 309284073 /nfs/dbraw/zinc/28/40/73/309284073.db2.gz KMEQJFQRAHMGEA-IAGOWNOFSA-N 2 1 326.488 3.440 20 0 EGADMP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420393713 309286179 /nfs/dbraw/zinc/28/61/79/309286179.db2.gz QTJBJPJCSUZFRS-VNQPRFMTSA-N 2 1 335.492 3.251 20 0 EGADMP c1cc(C[N@@H+]2CCC[C@]3(CCSC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420957613 309304358 /nfs/dbraw/zinc/30/43/58/309304358.db2.gz BWXHUGFWIRADTQ-FQEVSTJZSA-N 2 1 346.540 3.238 20 0 EGADMP c1cc(C[N@H+]2CCC[C@]3(CCSC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420957613 309304359 /nfs/dbraw/zinc/30/43/59/309304359.db2.gz BWXHUGFWIRADTQ-FQEVSTJZSA-N 2 1 346.540 3.238 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc4occc4c3)CC2)CC1 ZINC000421381919 309321804 /nfs/dbraw/zinc/32/18/04/309321804.db2.gz XLYBXBDLPLVRRE-UHFFFAOYSA-N 2 1 341.499 3.425 20 0 EGADMP COC1([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000421398883 309322977 /nfs/dbraw/zinc/32/29/77/309322977.db2.gz GWHIJZLRXNZZEX-BJLQDIEVSA-N 2 1 346.515 3.071 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC2CCC([NH+](C)C)CC2)cc1)C1CC1 ZINC000421683122 309334423 /nfs/dbraw/zinc/33/44/23/309334423.db2.gz CPHMTZODQXXSHH-UHFFFAOYSA-N 2 1 343.515 3.274 20 0 EGADMP COC1([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CCCC1 ZINC000421838268 309342681 /nfs/dbraw/zinc/34/26/81/309342681.db2.gz VEEFPIHHFNDLBK-KRWDZBQOSA-N 2 1 349.519 3.441 20 0 EGADMP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423009489 309380796 /nfs/dbraw/zinc/38/07/96/309380796.db2.gz CYTHPLSZMDPUSO-JRPNMDOOSA-N 2 1 329.257 3.249 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C[C@H]1C[NH3+] ZINC000422638009 309363162 /nfs/dbraw/zinc/36/31/62/309363162.db2.gz PUDSHODAYNDAEY-VNHYZAJKSA-N 2 1 348.878 3.238 20 0 EGADMP Fc1ccc(F)c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422733594 309365624 /nfs/dbraw/zinc/36/56/24/309365624.db2.gz BLRLKVJULLIXCB-IEBWSBKVSA-N 2 1 330.378 3.310 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])ccc1OCc1ccccc1 ZINC000422772775 309367478 /nfs/dbraw/zinc/36/74/78/309367478.db2.gz SWBKNXYHKNLFNF-ZWKOTPCHSA-N 2 1 326.440 3.244 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422797101 309368827 /nfs/dbraw/zinc/36/88/27/309368827.db2.gz ZTMMXTWZHQOXNK-UXHICEINSA-N 2 1 326.488 3.298 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000422838767 309371202 /nfs/dbraw/zinc/37/12/02/309371202.db2.gz XZMKFZWJSCZMBS-BWAGFHJFSA-N 2 1 337.511 3.199 20 0 EGADMP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(Sc2ccccc2)CCCC1 ZINC000422910447 309375726 /nfs/dbraw/zinc/37/57/26/309375726.db2.gz QKYSBAYWLBSMNY-IRXDYDNUSA-N 2 1 334.529 3.448 20 0 EGADMP CC[C@H]([NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000422950515 309377763 /nfs/dbraw/zinc/37/77/63/309377763.db2.gz WESYSVVWOLMNMD-ZYSHUDEJSA-N 2 1 340.467 3.457 20 0 EGADMP C[C@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)[C@H]1CCCC[NH2+]1 ZINC000422953065 309377944 /nfs/dbraw/zinc/37/79/44/309377944.db2.gz CWBXULFEBQLNJL-GOEBONIOSA-N 2 1 330.501 3.258 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000422982149 309379445 /nfs/dbraw/zinc/37/94/45/309379445.db2.gz VSEPITJLUPZZEJ-AEFFLSMTSA-N 2 1 347.503 3.040 20 0 EGADMP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c2c(c1)OCCCO2 ZINC000422989596 309379884 /nfs/dbraw/zinc/37/98/84/309379884.db2.gz LYPOYJKVEFLJEL-KZNAEPCWSA-N 2 1 330.472 3.248 20 0 EGADMP COC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(C)o1 ZINC000423006101 309380560 /nfs/dbraw/zinc/38/05/60/309380560.db2.gz OALOWTATWOKLQT-FUHIMQAGSA-N 2 1 342.439 3.121 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423008480 309380642 /nfs/dbraw/zinc/38/06/42/309380642.db2.gz SUUTXZWAVRIPSV-OXQOHEQNSA-N 3 1 327.472 3.129 20 0 EGADMP CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423008480 309380643 /nfs/dbraw/zinc/38/06/43/309380643.db2.gz SUUTXZWAVRIPSV-OXQOHEQNSA-N 2 1 327.472 3.129 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423036573 309382217 /nfs/dbraw/zinc/38/22/17/309382217.db2.gz APXSXJWUZAIWND-HSMVNMDESA-N 2 1 328.287 3.302 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423036577 309382225 /nfs/dbraw/zinc/38/22/25/309382225.db2.gz APXSXJWUZAIWND-OZVIIMIRSA-N 2 1 328.287 3.302 20 0 EGADMP C[C@H](CN1CCCCCC1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423049668 309383062 /nfs/dbraw/zinc/38/30/62/309383062.db2.gz KELYIDBKAHRKOV-QFUCXCTJSA-N 2 1 343.515 3.096 20 0 EGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000423049777 309383067 /nfs/dbraw/zinc/38/30/67/309383067.db2.gz KTTSPFPFTNGUEZ-MBOZVWFJSA-N 2 1 340.398 3.105 20 0 EGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000423067439 309384152 /nfs/dbraw/zinc/38/41/52/309384152.db2.gz HCABGAVBBYJCPJ-BURNTYAHSA-N 2 1 330.516 3.248 20 0 EGADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000423073810 309384466 /nfs/dbraw/zinc/38/44/66/309384466.db2.gz JWRFGOCHJAKZIO-RBBKRZOGSA-N 2 1 349.478 3.306 20 0 EGADMP Brc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CS2 ZINC000423083781 309384980 /nfs/dbraw/zinc/38/49/80/309384980.db2.gz GWZMBAUDZWEANO-BRZZBQFESA-N 2 1 339.302 3.469 20 0 EGADMP Fc1ccccc1[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423106318 309386232 /nfs/dbraw/zinc/38/62/32/309386232.db2.gz ZPCCRCMXEUHMNN-XCVIRLNASA-N 2 1 332.463 3.209 20 0 EGADMP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423125284 309387204 /nfs/dbraw/zinc/38/72/04/309387204.db2.gz QEXUMYZZBDHSCM-GHYVTOPFSA-N 2 1 326.893 3.136 20 0 EGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000423135361 309387819 /nfs/dbraw/zinc/38/78/19/309387819.db2.gz NWEGJIWOGDAAJH-MLGOLLRUSA-N 2 1 338.373 3.475 20 0 EGADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c(C)c1 ZINC000423137356 309387887 /nfs/dbraw/zinc/38/78/87/309387887.db2.gz WETYTJIACMYMNJ-MISYRCLQSA-N 2 1 330.516 3.328 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423190176 309389628 /nfs/dbraw/zinc/38/96/28/309389628.db2.gz SBUODJCLSLLMKT-SECBINFHSA-N 2 1 336.329 3.292 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC[C@@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423250924 309392312 /nfs/dbraw/zinc/39/23/12/309392312.db2.gz RFQDCRDANRWMGS-UVUJQTEASA-N 3 1 341.543 3.266 20 0 EGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000423262590 309393046 /nfs/dbraw/zinc/39/30/46/309393046.db2.gz MULDZGRZUBOFBI-KXBFYZLASA-N 2 1 329.488 3.372 20 0 EGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2c1cc(Cl)cc2Br)C1CC1 ZINC000423283039 309393957 /nfs/dbraw/zinc/39/39/57/309393957.db2.gz VSBAAAMWIYJFSC-UONOGXRCSA-N 2 1 329.669 3.417 20 0 EGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)C2CCSCC2)cc1 ZINC000423317983 309394912 /nfs/dbraw/zinc/39/49/12/309394912.db2.gz BLNCPQCFMFBROR-JVPBZIDWSA-N 2 1 334.529 3.262 20 0 EGADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423321131 309395107 /nfs/dbraw/zinc/39/51/07/309395107.db2.gz MUHMHYOGMTWIDR-PMACEKPBSA-N 2 1 328.431 3.445 20 0 EGADMP C[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423333326 309395758 /nfs/dbraw/zinc/39/57/58/309395758.db2.gz RLOOBCBDDPWWKP-DTWKUNHWSA-N 2 1 337.773 3.013 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])CC2CCCCC2)c1 ZINC000423344939 309396374 /nfs/dbraw/zinc/39/63/74/309396374.db2.gz FOLQNIBWGAAVES-LJQANCHMSA-N 2 1 331.504 3.052 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000423357556 309396730 /nfs/dbraw/zinc/39/67/30/309396730.db2.gz IIMXDJFIWYBFSA-MRXNPFEDSA-N 2 1 339.483 3.477 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H](N[C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423357235 309396780 /nfs/dbraw/zinc/39/67/80/309396780.db2.gz LYAGSXOMFZMMHI-DOIPELPJSA-N 2 1 327.516 3.019 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000423357563 309396807 /nfs/dbraw/zinc/39/68/07/309396807.db2.gz MHXUCLXAXYYGJD-HOJAQTOUSA-N 2 1 349.563 3.397 20 0 EGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423359833 309397015 /nfs/dbraw/zinc/39/70/15/309397015.db2.gz KZDLSTNMDDATLJ-NTDBWNAOSA-N 2 1 345.531 3.195 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC[NH2+]1 ZINC000423363574 309397158 /nfs/dbraw/zinc/39/71/58/309397158.db2.gz APZNDQOYFHMLON-BPYAMOTFSA-N 2 1 327.241 3.306 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)nnn1-c1ccc(Cl)cc1 ZINC000423396792 309398545 /nfs/dbraw/zinc/39/85/45/309398545.db2.gz SONDZLXFSLMZSG-NILFDRSVSA-N 2 1 333.867 3.150 20 0 EGADMP COc1ccc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1Cl ZINC000425898795 309494250 /nfs/dbraw/zinc/49/42/50/309494250.db2.gz JPXGAHWAXFDSII-UHFFFAOYSA-N 2 1 335.835 3.093 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000448356525 310002746 /nfs/dbraw/zinc/00/27/46/310002746.db2.gz SKVACFYEMZRBSH-FQEVSTJZSA-N 2 1 345.531 3.075 20 0 EGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC(=O)NC(C)(C)C)CC1 ZINC000449070315 310034627 /nfs/dbraw/zinc/03/46/27/310034627.db2.gz CAEYUTBUWUOHBR-UHFFFAOYSA-N 2 1 325.541 3.170 20 0 EGADMP Cc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000449165573 310041653 /nfs/dbraw/zinc/04/16/53/310041653.db2.gz AFDIPKHGHDJLEL-YADHBBJMSA-N 2 1 338.495 3.010 20 0 EGADMP Cc1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000449165573 310041654 /nfs/dbraw/zinc/04/16/54/310041654.db2.gz AFDIPKHGHDJLEL-YADHBBJMSA-N 2 1 338.495 3.010 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449252380 310047832 /nfs/dbraw/zinc/04/78/32/310047832.db2.gz QODYWLMLDHPEAC-UHFFFAOYSA-N 2 1 346.272 3.349 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H]3[C@H]3CCC[C@H]3O)sc2C1 ZINC000449465356 310064439 /nfs/dbraw/zinc/06/44/39/310064439.db2.gz CLASMGCRHAEYAI-DJIMGWMZSA-N 2 1 349.544 3.035 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H]3[C@H]3CCC[C@H]3O)sc2C1 ZINC000449465356 310064440 /nfs/dbraw/zinc/06/44/40/310064440.db2.gz CLASMGCRHAEYAI-DJIMGWMZSA-N 2 1 349.544 3.035 20 0 EGADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H]3[C@H]3CCC[C@H]3O)sc2C1 ZINC000449465356 310064441 /nfs/dbraw/zinc/06/44/41/310064441.db2.gz CLASMGCRHAEYAI-DJIMGWMZSA-N 2 1 349.544 3.035 20 0 EGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@H]3[C@H]3CCC[C@H]3O)sc2C1 ZINC000449465356 310064442 /nfs/dbraw/zinc/06/44/42/310064442.db2.gz CLASMGCRHAEYAI-DJIMGWMZSA-N 2 1 349.544 3.035 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c2nccn21 ZINC000449568866 310072492 /nfs/dbraw/zinc/07/24/92/310072492.db2.gz DPOBULLSYZUXHT-LPHOPBHVSA-N 2 1 340.471 3.153 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000449816593 310088858 /nfs/dbraw/zinc/08/88/58/310088858.db2.gz YMOGCOCVOAXEMR-HKUYNNGSSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ccn(CC(F)(F)F)n2)CC1 ZINC000450269884 310112217 /nfs/dbraw/zinc/11/22/17/310112217.db2.gz OWKAGCLXBOSJFE-UHFFFAOYSA-N 2 1 346.441 3.389 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccn(CC(F)(F)F)n2)CC1 ZINC000450269884 310112218 /nfs/dbraw/zinc/11/22/18/310112218.db2.gz OWKAGCLXBOSJFE-UHFFFAOYSA-N 2 1 346.441 3.389 20 0 EGADMP Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450655597 310135502 /nfs/dbraw/zinc/13/55/02/310135502.db2.gz YRQCIHBAPUDMJP-QFBILLFUSA-N 2 1 335.923 3.106 20 0 EGADMP Cc1cccc(Cl)c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450655597 310135503 /nfs/dbraw/zinc/13/55/03/310135503.db2.gz YRQCIHBAPUDMJP-QFBILLFUSA-N 2 1 335.923 3.106 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@@H]3C=CCCCCC3)C2)CC1 ZINC000451532464 310183403 /nfs/dbraw/zinc/18/34/03/310183403.db2.gz TYPLDNGETBBEIT-NHCUHLMSSA-N 2 1 347.547 3.142 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@@H]3C=CCCCCC3)C2)CC1 ZINC000451532464 310183404 /nfs/dbraw/zinc/18/34/04/310183404.db2.gz TYPLDNGETBBEIT-NHCUHLMSSA-N 2 1 347.547 3.142 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@@H]3C=CCCCCC3)C2)CC1 ZINC000451532464 310183405 /nfs/dbraw/zinc/18/34/05/310183405.db2.gz TYPLDNGETBBEIT-NHCUHLMSSA-N 2 1 347.547 3.142 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@@H]3C=CCCCCC3)C2)CC1 ZINC000451532464 310183406 /nfs/dbraw/zinc/18/34/06/310183406.db2.gz TYPLDNGETBBEIT-NHCUHLMSSA-N 2 1 347.547 3.142 20 0 EGADMP CO[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)CC1(C)C ZINC000451561652 310186580 /nfs/dbraw/zinc/18/65/80/310186580.db2.gz IHCKGAIJULOCCS-HNGSOEQISA-N 2 1 338.536 3.036 20 0 EGADMP c1cn(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000453056038 310254592 /nfs/dbraw/zinc/25/45/92/310254592.db2.gz KOCGQNKAFUCZLD-QHAWAJNXSA-N 2 1 338.499 3.306 20 0 EGADMP Cc1cc([C@H](C)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000453109767 310258601 /nfs/dbraw/zinc/25/86/01/310258601.db2.gz AQZNQURXPJTXLX-QFBILLFUSA-N 2 1 330.497 3.344 20 0 EGADMP Cc1cc([C@H](C)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000453109767 310258602 /nfs/dbraw/zinc/25/86/02/310258602.db2.gz AQZNQURXPJTXLX-QFBILLFUSA-N 2 1 330.497 3.344 20 0 EGADMP CC(C)(CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453119218 310259235 /nfs/dbraw/zinc/25/92/35/310259235.db2.gz MBINUWVITYWPCC-VAMGGRTRSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453126245 310259735 /nfs/dbraw/zinc/25/97/35/310259735.db2.gz OSIQVZNMRIYTKJ-UGKANONSSA-N 2 1 330.516 3.426 20 0 EGADMP CCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000453150552 310261055 /nfs/dbraw/zinc/26/10/55/310261055.db2.gz USZHDRGJCVDMNC-NJYVYQBISA-N 2 1 338.499 3.436 20 0 EGADMP CCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000453150552 310261056 /nfs/dbraw/zinc/26/10/56/310261056.db2.gz USZHDRGJCVDMNC-NJYVYQBISA-N 2 1 338.499 3.436 20 0 EGADMP C[C@H]([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@]2(CCOC2)C1 ZINC000453381833 310273888 /nfs/dbraw/zinc/27/38/88/310273888.db2.gz RIFXWROOWRIJJV-HMXCVIKNSA-N 2 1 328.500 3.400 20 0 EGADMP C[C@H]([C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453381833 310273889 /nfs/dbraw/zinc/27/38/89/310273889.db2.gz RIFXWROOWRIJJV-HMXCVIKNSA-N 2 1 328.500 3.400 20 0 EGADMP C[C@H]([C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453381833 310273890 /nfs/dbraw/zinc/27/38/90/310273890.db2.gz RIFXWROOWRIJJV-HMXCVIKNSA-N 2 1 328.500 3.400 20 0 EGADMP C[C@H](c1ccc(OCC[NH+](C)C)cc1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000453390977 310274255 /nfs/dbraw/zinc/27/42/55/310274255.db2.gz XSTSANUXZZTRHO-XLIONFOSSA-N 2 1 332.488 3.191 20 0 EGADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000453407396 310275281 /nfs/dbraw/zinc/27/52/81/310275281.db2.gz PSWATEGABIYURY-FDKIHUSFSA-N 2 1 328.500 3.444 20 0 EGADMP Cc1cc(NC(=O)NCCC[NH+]2CCCCCC2)cn2cc[nH+]c12 ZINC000455665513 310371872 /nfs/dbraw/zinc/37/18/72/310371872.db2.gz TXYOKKHNPZQASW-UHFFFAOYSA-N 2 1 329.448 3.030 20 0 EGADMP CCOC(=O)C1(C)CCC([NH2+][C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000474613607 310796826 /nfs/dbraw/zinc/79/68/26/310796826.db2.gz DRCKGGUQRQMHRA-WUKQWOENSA-N 2 1 338.536 3.454 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000494695848 311504826 /nfs/dbraw/zinc/50/48/26/311504826.db2.gz YMYGLVJGLBANJW-RBSFLKMASA-N 2 1 338.496 3.109 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496237877 311682678 /nfs/dbraw/zinc/68/26/78/311682678.db2.gz QOFHBYLLFROECW-DLBZAZTESA-N 2 1 333.476 3.147 20 0 EGADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1(C)C ZINC000507541179 312076797 /nfs/dbraw/zinc/07/67/97/312076797.db2.gz YIHLZSAJNQRMMU-MFKWGIFDSA-N 2 1 328.500 3.300 20 0 EGADMP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000508209183 312090792 /nfs/dbraw/zinc/09/07/92/312090792.db2.gz AQFOJLAIJGQWQG-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP C[C@@H](NCCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700773 312100092 /nfs/dbraw/zinc/10/00/92/312100092.db2.gz UZWCGCSTTOIYMZ-TZIWHRDSSA-N 2 1 329.532 3.363 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508700773 312100094 /nfs/dbraw/zinc/10/00/94/312100094.db2.gz UZWCGCSTTOIYMZ-TZIWHRDSSA-N 3 1 329.532 3.363 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700773 312100096 /nfs/dbraw/zinc/10/00/96/312100096.db2.gz UZWCGCSTTOIYMZ-TZIWHRDSSA-N 3 1 329.532 3.363 20 0 EGADMP Cc1ccc(F)c(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000512184307 312178019 /nfs/dbraw/zinc/17/80/19/312178019.db2.gz XHGXTQVCDJXEJL-CALCHBBNSA-N 2 1 334.479 3.455 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CCC4CCCC4)CC3)C2)cc1 ZINC000512475561 312187203 /nfs/dbraw/zinc/18/72/03/312187203.db2.gz UCDYZIRHJAHNIT-QFIPXVFZSA-N 2 1 341.543 3.459 20 0 EGADMP O[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512649842 312191235 /nfs/dbraw/zinc/19/12/35/312191235.db2.gz UYAAOZGSXINMKW-UQVNRYHBSA-N 2 1 328.500 3.180 20 0 EGADMP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512654215 312191766 /nfs/dbraw/zinc/19/17/66/312191766.db2.gz KFCUVYXOWMGJSQ-WLRLJWMZSA-N 2 1 328.500 3.038 20 0 EGADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000513499021 312211486 /nfs/dbraw/zinc/21/14/86/312211486.db2.gz DAKGRBVNUCSFJD-KZIRBZLESA-N 2 1 336.907 3.426 20 0 EGADMP CCN1C[C@H](C)[C@H]([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000513514075 312212045 /nfs/dbraw/zinc/21/20/45/312212045.db2.gz VXSZILKGGHJJGJ-IZZBFERCSA-N 2 1 329.532 3.217 20 0 EGADMP CC[C@H](C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C)[NH+]1CCCC1 ZINC000513762860 312217410 /nfs/dbraw/zinc/21/74/10/312217410.db2.gz UBXVMQLBEDWUMX-CRAIPNDOSA-N 2 1 334.504 3.407 20 0 EGADMP Cc1nn(C)c2ncc(C[NH2+][C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cc12 ZINC000516878636 312348036 /nfs/dbraw/zinc/34/80/36/312348036.db2.gz QQHGTCLYWBNNMK-YOEHRIQHSA-N 2 1 341.503 3.019 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1 ZINC000517677463 312387956 /nfs/dbraw/zinc/38/79/56/312387956.db2.gz IRWOLXQZMDAGPZ-STZQEDGTSA-N 2 1 338.495 3.263 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1 ZINC000517677463 312387959 /nfs/dbraw/zinc/38/79/59/312387959.db2.gz IRWOLXQZMDAGPZ-STZQEDGTSA-N 2 1 338.495 3.263 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000528424798 313090298 /nfs/dbraw/zinc/09/02/98/313090298.db2.gz NDWAPWWWTGYKRW-DUXKGJEZSA-N 2 1 346.490 3.332 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000528424798 313090302 /nfs/dbraw/zinc/09/03/02/313090302.db2.gz NDWAPWWWTGYKRW-DUXKGJEZSA-N 2 1 346.490 3.332 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000528424798 313090305 /nfs/dbraw/zinc/09/03/05/313090305.db2.gz NDWAPWWWTGYKRW-DUXKGJEZSA-N 2 1 346.490 3.332 20 0 EGADMP CCn1ccnc1CN1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC000528639269 313135576 /nfs/dbraw/zinc/13/55/76/313135576.db2.gz LFCAZBDBKHJROK-LJQANCHMSA-N 2 1 326.488 3.245 20 0 EGADMP FC(F)(F)c1sccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000529523380 313342232 /nfs/dbraw/zinc/34/22/32/313342232.db2.gz PPLNQWHJFVAUEJ-UHFFFAOYSA-N 2 1 348.434 3.311 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000535082877 314025168 /nfs/dbraw/zinc/02/51/68/314025168.db2.gz PEIKZPGBZAMDOD-UHFFFAOYSA-N 2 1 332.488 3.400 20 0 EGADMP Cc1cccc(C)c1OCCC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000536452388 314114534 /nfs/dbraw/zinc/11/45/34/314114534.db2.gz CJTNBQOMOMBJMR-UHFFFAOYSA-N 2 1 347.547 3.030 20 0 EGADMP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000537304995 314173172 /nfs/dbraw/zinc/17/31/72/314173172.db2.gz YDYDUDWAFJZTRZ-LBPRGKRZSA-N 2 1 341.268 3.371 20 0 EGADMP CC[N@H+](CCC1CC[NH+](CC(=O)OC(C)(C)C)CC1)CC(C)C ZINC000539098206 314296896 /nfs/dbraw/zinc/29/68/96/314296896.db2.gz MHJLUGDTPKZQDW-UHFFFAOYSA-N 2 1 326.525 3.408 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)OC(C)(C)C)CC1)CC(C)C ZINC000539098206 314296898 /nfs/dbraw/zinc/29/68/98/314296898.db2.gz MHJLUGDTPKZQDW-UHFFFAOYSA-N 2 1 326.525 3.408 20 0 EGADMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cc(-c4cccnc4)n[nH]3)C2)[nH+]1 ZINC000539816479 314341647 /nfs/dbraw/zinc/34/16/47/314341647.db2.gz JBOLBDAGTPPZON-INIZCTEOSA-N 2 1 348.454 3.109 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2C)[C@@H](C)C1 ZINC000540191523 314369442 /nfs/dbraw/zinc/36/94/42/314369442.db2.gz UCPQSJABPRBFNG-RBUKOAKNSA-N 2 1 334.504 3.100 20 0 EGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(Cl)cc2)c2cccs2)CC1 ZINC000540480253 314383148 /nfs/dbraw/zinc/38/31/48/314383148.db2.gz JPHDIVQRINETSB-QGZVFWFLSA-N 2 1 349.931 3.480 20 0 EGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1Br ZINC000063121429 454394640 /nfs/dbraw/zinc/39/46/40/454394640.db2.gz ZMENOKUHCWOKFU-UHFFFAOYSA-N 2 1 341.293 3.231 20 0 EGADMP CCc1ccc(CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1 ZINC000550009908 315113527 /nfs/dbraw/zinc/11/35/27/315113527.db2.gz HTLIQMVTASGBMW-WCRBZPEASA-N 2 1 330.516 3.365 20 0 EGADMP CCc1ccc(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1 ZINC000550009908 315113530 /nfs/dbraw/zinc/11/35/30/315113530.db2.gz HTLIQMVTASGBMW-WCRBZPEASA-N 2 1 330.516 3.365 20 0 EGADMP CCc1ccc(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1 ZINC000550009908 315113534 /nfs/dbraw/zinc/11/35/34/315113534.db2.gz HTLIQMVTASGBMW-WCRBZPEASA-N 2 1 330.516 3.365 20 0 EGADMP CSc1ccc([C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)N(C)C)cc1 ZINC000551310429 315149668 /nfs/dbraw/zinc/14/96/68/315149668.db2.gz FXCIPCUNXFTTSS-HXUWFJFHSA-N 2 1 347.572 3.475 20 0 EGADMP C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[NH+]1CC(C)C1 ZINC000553327889 315258359 /nfs/dbraw/zinc/25/83/59/315258359.db2.gz VIVVYTGPDYYLQS-QZTJIDSGSA-N 2 1 343.515 3.017 20 0 EGADMP CCc1[nH+]c2ccccc2c(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1C ZINC000553603579 315272370 /nfs/dbraw/zinc/27/23/70/315272370.db2.gz FAMDCZGUOJKKLT-WBVHZDCISA-N 2 1 339.483 3.405 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2sc(CCOC)nc2C)CC1 ZINC000092720713 454616832 /nfs/dbraw/zinc/61/68/32/454616832.db2.gz NTYRKEIIFXFCEG-CYBMUJFWSA-N 2 1 325.522 3.165 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000563506615 316030873 /nfs/dbraw/zinc/03/08/73/316030873.db2.gz SSSWOMGCZBZBJE-IBGZPJMESA-N 2 1 342.487 3.208 20 0 EGADMP CC(C)[NH2+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000564201072 316122980 /nfs/dbraw/zinc/12/29/80/316122980.db2.gz PIFOGZCZHVXTMT-NJYVYQBISA-N 2 1 329.532 3.407 20 0 EGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000564201072 316122982 /nfs/dbraw/zinc/12/29/82/316122982.db2.gz PIFOGZCZHVXTMT-NJYVYQBISA-N 3 1 329.532 3.407 20 0 EGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000564201072 316122985 /nfs/dbraw/zinc/12/29/85/316122985.db2.gz PIFOGZCZHVXTMT-NJYVYQBISA-N 3 1 329.532 3.407 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c1 ZINC000564847281 316216788 /nfs/dbraw/zinc/21/67/88/316216788.db2.gz ZKBNMZPQYAHKKA-HXUWFJFHSA-N 2 1 346.902 3.485 20 0 EGADMP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000565028600 316251717 /nfs/dbraw/zinc/25/17/17/316251717.db2.gz JJCVIJPBVVBUMV-NVXWUHKLSA-N 2 1 347.528 3.082 20 0 EGADMP Cc1[nH+]cc(CNCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)n1C ZINC000565243470 316297954 /nfs/dbraw/zinc/29/79/54/316297954.db2.gz YPHFWKXBEMAEAL-INIZCTEOSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cncc(Br)c1 ZINC000565242579 316298297 /nfs/dbraw/zinc/29/82/97/316298297.db2.gz GFCNNOJEDIAJLI-NWDGAFQWSA-N 2 1 337.265 3.336 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000565568202 316339913 /nfs/dbraw/zinc/33/99/13/316339913.db2.gz WMHOXMVVWBQUIV-LJQANCHMSA-N 2 1 347.522 3.153 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000565568202 316339917 /nfs/dbraw/zinc/33/99/17/316339917.db2.gz WMHOXMVVWBQUIV-LJQANCHMSA-N 2 1 347.522 3.153 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000565568202 316339920 /nfs/dbraw/zinc/33/99/20/316339920.db2.gz WMHOXMVVWBQUIV-LJQANCHMSA-N 3 1 347.522 3.153 20 0 EGADMP Cn1ncc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)cc21 ZINC000570065279 317003582 /nfs/dbraw/zinc/00/35/82/317003582.db2.gz SHGGISUFULJGOA-UXHICEINSA-N 2 1 334.467 3.498 20 0 EGADMP Cn1ncc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)cc21 ZINC000570065279 317003585 /nfs/dbraw/zinc/00/35/85/317003585.db2.gz SHGGISUFULJGOA-UXHICEINSA-N 2 1 334.467 3.498 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000570295747 317036586 /nfs/dbraw/zinc/03/65/86/317036586.db2.gz MAPNZNMZULWZCW-JKSUJKDBSA-N 2 1 344.503 3.146 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000570503535 317064981 /nfs/dbraw/zinc/06/49/81/317064981.db2.gz IXTHJNKNAVQOCZ-KRWDZBQOSA-N 2 1 326.444 3.089 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)CC1 ZINC000570580445 317076827 /nfs/dbraw/zinc/07/68/27/317076827.db2.gz WQCDNHXBVKCVQC-QGZVFWFLSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@H](CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000379643153 324239884 /nfs/dbraw/zinc/23/98/84/324239884.db2.gz FLYOXXUSSQTRBV-WLRLJWMZSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000379643153 324239888 /nfs/dbraw/zinc/23/98/88/324239888.db2.gz FLYOXXUSSQTRBV-WLRLJWMZSA-N 3 1 329.532 3.407 20 0 EGADMP C[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000379643153 324239890 /nfs/dbraw/zinc/23/98/90/324239890.db2.gz FLYOXXUSSQTRBV-WLRLJWMZSA-N 3 1 329.532 3.407 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379676219 324241779 /nfs/dbraw/zinc/24/17/79/324241779.db2.gz YWEYUNKLCLJVGH-BHIYHBOVSA-N 2 1 345.531 3.180 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000385799542 324263678 /nfs/dbraw/zinc/26/36/78/324263678.db2.gz DZCDFZUBHWQKLI-VQIMIIECSA-N 2 1 338.451 3.416 20 0 EGADMP Fc1cc(Br)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000388964956 324277859 /nfs/dbraw/zinc/27/78/59/324277859.db2.gz UEWXTQWSEZYNQJ-TXEJJXNPSA-N 2 1 327.241 3.020 20 0 EGADMP CCn1cncc1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000417947319 324302644 /nfs/dbraw/zinc/30/26/44/324302644.db2.gz GHDJLZLQMHLJAN-MJGOQNOKSA-N 2 1 326.488 3.293 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000313815321 456600290 /nfs/dbraw/zinc/60/02/90/456600290.db2.gz WUVNFWDNZJGYOQ-IOASZLSFSA-N 2 1 325.294 3.310 20 0 EGADMP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000579287595 325087911 /nfs/dbraw/zinc/08/79/11/325087911.db2.gz LYKYFSGNGLGVIU-IAGOWNOFSA-N 2 1 334.504 3.263 20 0 EGADMP Cc1cc(C)c([C@@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1C ZINC000580182383 325214570 /nfs/dbraw/zinc/21/45/70/325214570.db2.gz PHVASWILPITJRO-OAHLLOKOSA-N 2 1 327.476 3.048 20 0 EGADMP CCCCOc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000580363727 325239466 /nfs/dbraw/zinc/23/94/66/325239466.db2.gz LJJQOKOIZPSSEV-UHFFFAOYSA-N 2 1 347.547 3.323 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](C[C@H]2C(C)=CCC[C@H]2C)CC1 ZINC000583408266 325521229 /nfs/dbraw/zinc/52/12/29/325521229.db2.gz OVBXGPMCXVCUQM-QUCCMNQESA-N 2 1 338.536 3.038 20 0 EGADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000356650859 457102367 /nfs/dbraw/zinc/10/23/67/457102367.db2.gz RNPDOTZZJWPYTI-RHSMWYFYSA-N 2 1 339.911 3.179 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000356650859 457102372 /nfs/dbraw/zinc/10/23/72/457102372.db2.gz RNPDOTZZJWPYTI-RHSMWYFYSA-N 2 1 339.911 3.179 20 0 EGADMP CC[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1)[NH+](CC)CC ZINC000469986931 458604659 /nfs/dbraw/zinc/60/46/59/458604659.db2.gz HYGAPYCZHPCKBW-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(Br)c2)C1 ZINC000464790496 458775260 /nfs/dbraw/zinc/77/52/60/458775260.db2.gz IWSOEMCVIHSSLU-AWEZNQCLSA-N 2 1 341.293 3.102 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(Br)c2)C1 ZINC000464790496 458775264 /nfs/dbraw/zinc/77/52/64/458775264.db2.gz IWSOEMCVIHSSLU-AWEZNQCLSA-N 2 1 341.293 3.102 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2cccc(Br)c2)C1 ZINC000464790496 458775266 /nfs/dbraw/zinc/77/52/66/458775266.db2.gz IWSOEMCVIHSSLU-AWEZNQCLSA-N 2 1 341.293 3.102 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cccc(Br)c2)C1 ZINC000464790496 458775270 /nfs/dbraw/zinc/77/52/70/458775270.db2.gz IWSOEMCVIHSSLU-AWEZNQCLSA-N 2 1 341.293 3.102 20 0 EGADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000180759744 455240789 /nfs/dbraw/zinc/24/07/89/455240789.db2.gz MZVBUIGTKFPGEK-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC000496771339 459317347 /nfs/dbraw/zinc/31/73/47/459317347.db2.gz JTHICFIUMVDQEF-JKSUJKDBSA-N 2 1 327.513 3.048 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC000496771339 459317355 /nfs/dbraw/zinc/31/73/55/459317355.db2.gz JTHICFIUMVDQEF-JKSUJKDBSA-N 2 1 327.513 3.048 20 0 EGADMP CC[C@H](c1ccc(F)cc1F)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180941668 455267383 /nfs/dbraw/zinc/26/73/83/455267383.db2.gz OELWMGFDBITJGA-LJQANCHMSA-N 2 1 339.474 3.374 20 0 EGADMP CC[C@H](c1ccc(F)cc1F)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180941668 455267387 /nfs/dbraw/zinc/26/73/87/455267387.db2.gz OELWMGFDBITJGA-LJQANCHMSA-N 2 1 339.474 3.374 20 0 EGADMP CCn1nccc1CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245693512 455358130 /nfs/dbraw/zinc/35/81/30/455358130.db2.gz BVTJWNUBEDAENI-HKUYNNGSSA-N 2 1 326.488 3.388 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000081568274 453888487 /nfs/dbraw/zinc/88/84/87/453888487.db2.gz RBYLJNWTJGIPPI-PMACEKPBSA-N 2 1 348.531 3.015 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000081568274 453888488 /nfs/dbraw/zinc/88/84/88/453888488.db2.gz RBYLJNWTJGIPPI-PMACEKPBSA-N 2 1 348.531 3.015 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000081568274 453888490 /nfs/dbraw/zinc/88/84/90/453888490.db2.gz RBYLJNWTJGIPPI-PMACEKPBSA-N 2 1 348.531 3.015 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000081568274 453888492 /nfs/dbraw/zinc/88/84/92/453888492.db2.gz RBYLJNWTJGIPPI-PMACEKPBSA-N 2 1 348.531 3.015 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)sc1C ZINC000081670330 453902678 /nfs/dbraw/zinc/90/26/78/453902678.db2.gz WFBDDUCVBLBPTJ-ZIAGYGMSSA-N 2 1 337.533 3.081 20 0 EGADMP C[N@@H+](CCC(=O)OC(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109711 453965517 /nfs/dbraw/zinc/96/55/17/453965517.db2.gz XCDHUOPSJHDCGW-GOSISDBHSA-N 2 1 332.488 3.172 20 0 EGADMP C[NH+](CCC(=O)OC(C)(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109711 453965520 /nfs/dbraw/zinc/96/55/20/453965520.db2.gz XCDHUOPSJHDCGW-GOSISDBHSA-N 2 1 332.488 3.172 20 0 EGADMP C[NH+](CCC(=O)OC(C)(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109711 453965522 /nfs/dbraw/zinc/96/55/22/453965522.db2.gz XCDHUOPSJHDCGW-GOSISDBHSA-N 2 1 332.488 3.172 20 0 EGADMP CCc1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000076330921 453989158 /nfs/dbraw/zinc/98/91/58/453989158.db2.gz PNFKJLGLFHALLC-LJQANCHMSA-N 2 1 346.519 3.129 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)cc1C ZINC000076329368 453989596 /nfs/dbraw/zinc/98/95/96/453989596.db2.gz XUZPULZYZBMQTL-GOSISDBHSA-N 2 1 346.519 3.183 20 0 EGADMP C[N@@H+](CCC[NH2+]Cc1c[nH]nc1-c1cccnc1)Cc1ccccc1 ZINC000042900722 454031432 /nfs/dbraw/zinc/03/14/32/454031432.db2.gz MKTWHDFGAMVLHK-UHFFFAOYSA-N 2 1 335.455 3.083 20 0 EGADMP CSc1cccc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000056524522 454064324 /nfs/dbraw/zinc/06/43/24/454064324.db2.gz AAWHTNIARSQJNR-UHFFFAOYSA-N 2 1 335.517 3.011 20 0 EGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000265981724 455419619 /nfs/dbraw/zinc/41/96/19/455419619.db2.gz BRJCWCHCILXMLG-CABCVRRESA-N 2 1 340.414 3.003 20 0 EGADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(SC)cc1OC ZINC000077988735 454174321 /nfs/dbraw/zinc/17/43/21/454174321.db2.gz MNZVXEGDYGAOCV-CQSZACIVSA-N 2 1 338.517 3.246 20 0 EGADMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(SC)cc1OC ZINC000077988735 454174325 /nfs/dbraw/zinc/17/43/25/454174325.db2.gz MNZVXEGDYGAOCV-CQSZACIVSA-N 2 1 338.517 3.246 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000089669479 454175816 /nfs/dbraw/zinc/17/58/16/454175816.db2.gz PKAAOJGSUNCPFC-HLLBOEOZSA-N 2 1 344.528 3.456 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)C[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000130282451 454186696 /nfs/dbraw/zinc/18/66/96/454186696.db2.gz XWKILRYBJAAMDQ-INIZCTEOSA-N 2 1 329.488 3.389 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000120002579 454245763 /nfs/dbraw/zinc/24/57/63/454245763.db2.gz ZTGNKTGXLZNURJ-WWGRRREGSA-N 2 1 330.394 3.446 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccccn3)cs2)[C@H](C)C1 ZINC000090044336 454265333 /nfs/dbraw/zinc/26/53/33/454265333.db2.gz QEGBJAZHRKMEHS-CABCVRRESA-N 2 1 330.501 3.068 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000072585167 454314158 /nfs/dbraw/zinc/31/41/58/454314158.db2.gz FRLDQTFCXNRNNV-UHFFFAOYSA-N 2 1 339.430 3.098 20 0 EGADMP Cc1cccc([C@@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000090520888 454314319 /nfs/dbraw/zinc/31/43/19/454314319.db2.gz KQHJGLGKEXNMRJ-QFIPXVFZSA-N 2 1 338.495 3.325 20 0 EGADMP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000090522362 454316303 /nfs/dbraw/zinc/31/63/03/454316303.db2.gz BMNWXZMCYOALBP-IPELMVKDSA-N 2 1 332.488 3.114 20 0 EGADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCCSCc3ccccc3)CC2)C1 ZINC000090554352 454321254 /nfs/dbraw/zinc/32/12/54/454321254.db2.gz KTLQTKKXRMJTOT-FQEVSTJZSA-N 2 1 347.572 3.022 20 0 EGADMP CCc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000132767557 454364592 /nfs/dbraw/zinc/36/45/92/454364592.db2.gz YUYFNUTUHTZHAV-HIFRSBDPSA-N 2 1 337.533 3.165 20 0 EGADMP CC(C)CNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000079303722 454394516 /nfs/dbraw/zinc/39/45/16/454394516.db2.gz FIKNLFDROBTZPV-MSOLQXFVSA-N 2 1 345.531 3.169 20 0 EGADMP CCCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000097162680 454419628 /nfs/dbraw/zinc/41/96/28/454419628.db2.gz KVHXHUNSODZNFQ-LZWOXQAQSA-N 2 1 338.879 3.307 20 0 EGADMP CCCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000097162680 454419635 /nfs/dbraw/zinc/41/96/35/454419635.db2.gz KVHXHUNSODZNFQ-LZWOXQAQSA-N 2 1 338.879 3.307 20 0 EGADMP CC1(C)CC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000098092993 454453755 /nfs/dbraw/zinc/45/37/55/454453755.db2.gz STNIEWTZJOZSJW-GOSISDBHSA-N 2 1 343.515 3.076 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H](C)C[NH+]3CCCCC3)c(C)n2n1 ZINC000121586035 454454832 /nfs/dbraw/zinc/45/48/32/454454832.db2.gz SRLZIFFLLCKBQE-HOCLYGCPSA-N 2 1 329.492 3.119 20 0 EGADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073700815 454469200 /nfs/dbraw/zinc/46/92/00/454469200.db2.gz WXDRUWVTVVCXLD-RTBURBONSA-N 2 1 336.439 3.182 20 0 EGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3)C2)CC1 ZINC000101727873 454481645 /nfs/dbraw/zinc/48/16/45/454481645.db2.gz UZYBUNCUZCTIQC-IBGZPJMESA-N 2 1 343.515 3.459 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](OCC(C)C)C2)CC1 ZINC000091964511 454497602 /nfs/dbraw/zinc/49/76/02/454497602.db2.gz ZRTMHRXJFKGLSU-FQEVSTJZSA-N 2 1 345.531 3.075 20 0 EGADMP CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000092015819 454504122 /nfs/dbraw/zinc/50/41/22/454504122.db2.gz KORSSTHFBVIUGU-IBGZPJMESA-N 2 1 345.535 3.019 20 0 EGADMP CC(C)CC[C@@H]1CCCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000092015819 454504126 /nfs/dbraw/zinc/50/41/26/454504126.db2.gz KORSSTHFBVIUGU-IBGZPJMESA-N 2 1 345.535 3.019 20 0 EGADMP CC[C@]1(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000134563881 454560694 /nfs/dbraw/zinc/56/06/94/454560694.db2.gz NDJKXXIUBMSGEX-LAUBAEHRSA-N 2 1 343.515 3.209 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2cccc(C)c2)[C@H](C)C1 ZINC000122785014 454569573 /nfs/dbraw/zinc/56/95/73/454569573.db2.gz MJYIZJXZKBZPET-SBHAEUEKSA-N 2 1 348.531 3.489 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000092487285 454573896 /nfs/dbraw/zinc/57/38/96/454573896.db2.gz PICGCFLWGCWEEL-PXNSSMCTSA-N 2 1 345.531 3.216 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000122877871 454577232 /nfs/dbraw/zinc/57/72/32/454577232.db2.gz POTIHIUJZONHNA-VYDXJSESSA-N 2 1 332.488 3.054 20 0 EGADMP CC[C@H](C[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1)[NH+]1CCCC1 ZINC000123083883 454600522 /nfs/dbraw/zinc/60/05/22/454600522.db2.gz UTVXLKKJCFBBTN-JKSUJKDBSA-N 2 1 341.499 3.498 20 0 EGADMP CCOc1cccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000092664360 454605088 /nfs/dbraw/zinc/60/50/88/454605088.db2.gz SAGDLPOZSMKRTR-OALUTQOASA-N 2 1 345.531 3.076 20 0 EGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000080650272 454611259 /nfs/dbraw/zinc/61/12/59/454611259.db2.gz UCMROUPLOJTNGH-UHFFFAOYSA-N 2 1 331.460 3.151 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1CNc1cncc(-n2cc[nH+]c2C)n1 ZINC000092893106 454651706 /nfs/dbraw/zinc/65/17/06/454651706.db2.gz VKOZNAVYILATKP-INIZCTEOSA-N 2 1 328.464 3.037 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNc1cncc(-n2cc[nH+]c2C)n1 ZINC000092893106 454651711 /nfs/dbraw/zinc/65/17/11/454651711.db2.gz VKOZNAVYILATKP-INIZCTEOSA-N 2 1 328.464 3.037 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000052210086 454661861 /nfs/dbraw/zinc/66/18/61/454661861.db2.gz CXAWQUXRHGHXQC-LJQANCHMSA-N 2 1 340.458 3.442 20 0 EGADMP Cc1cc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)nc(C)[nH+]1 ZINC000080984162 454665766 /nfs/dbraw/zinc/66/57/66/454665766.db2.gz OHOIACQZISMAIP-MRXNPFEDSA-N 2 1 340.471 3.405 20 0 EGADMP CCCc1nc(C[NH+]2CCC(OCC[NH+](CC)CC)CC2)cs1 ZINC000075007887 454674124 /nfs/dbraw/zinc/67/41/24/454674124.db2.gz IVAMBLAURRTKJP-UHFFFAOYSA-N 2 1 339.549 3.418 20 0 EGADMP COc1ccc([C@@H]2CCC[N@H+]2CCCn2ccnc2C)cc1OC ZINC000136352694 454736732 /nfs/dbraw/zinc/73/67/32/454736732.db2.gz GUEHPKNELIHNNY-KRWDZBQOSA-N 2 1 329.444 3.436 20 0 EGADMP COc1ccc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2C)cc1OC ZINC000136352694 454736737 /nfs/dbraw/zinc/73/67/37/454736737.db2.gz GUEHPKNELIHNNY-KRWDZBQOSA-N 2 1 329.444 3.436 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCCC2)CC[N@H+]1C ZINC000153027184 454754248 /nfs/dbraw/zinc/75/42/48/454754248.db2.gz WGIBINUPBJKMOQ-JKSUJKDBSA-N 2 1 339.524 3.286 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009440 460652591 /nfs/dbraw/zinc/65/25/91/460652591.db2.gz GZIGEFSVTXNXPZ-RLLQIKCJSA-N 2 1 329.532 3.265 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009440 460652594 /nfs/dbraw/zinc/65/25/94/460652594.db2.gz GZIGEFSVTXNXPZ-RLLQIKCJSA-N 2 1 329.532 3.265 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)c1 ZINC000153203256 454770163 /nfs/dbraw/zinc/77/01/63/454770163.db2.gz DFPCKMWSJQASCF-KSZLIROESA-N 2 1 345.531 3.404 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000124910206 454781470 /nfs/dbraw/zinc/78/14/70/454781470.db2.gz IVPMZWRSNSVFIQ-NPMXOYFQSA-N 2 1 333.501 3.402 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000124910206 454781472 /nfs/dbraw/zinc/78/14/72/454781472.db2.gz IVPMZWRSNSVFIQ-NPMXOYFQSA-N 2 1 333.501 3.402 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000124910425 454781742 /nfs/dbraw/zinc/78/17/42/454781742.db2.gz IVPMZWRSNSVFIQ-IQMFZBJNSA-N 2 1 333.501 3.402 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000124910425 454781743 /nfs/dbraw/zinc/78/17/43/454781743.db2.gz IVPMZWRSNSVFIQ-IQMFZBJNSA-N 2 1 333.501 3.402 20 0 EGADMP CCOc1ccc(NC(=O)CC[N@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000137727703 454784645 /nfs/dbraw/zinc/78/46/45/454784645.db2.gz GGTAFPDEKXXBKN-QGZVFWFLSA-N 2 1 347.503 3.078 20 0 EGADMP CCCC[C@@H](COC)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000153486825 454799133 /nfs/dbraw/zinc/79/91/33/454799133.db2.gz MBSBJFSKJDWHQB-XLIONFOSSA-N 2 1 334.504 3.202 20 0 EGADMP CCCC[C@@H](COC)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000153486825 454799135 /nfs/dbraw/zinc/79/91/35/454799135.db2.gz MBSBJFSKJDWHQB-XLIONFOSSA-N 2 1 334.504 3.202 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)C[C@@H]2C(C)C)cc1)C1CC1 ZINC000153716837 454824790 /nfs/dbraw/zinc/82/47/90/454824790.db2.gz RBSXGOWTXJCVPH-HXUWFJFHSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1)C1CC1 ZINC000153716837 454824795 /nfs/dbraw/zinc/82/47/95/454824795.db2.gz RBSXGOWTXJCVPH-HXUWFJFHSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1)C1CC1 ZINC000153716837 454824799 /nfs/dbraw/zinc/82/47/99/454824799.db2.gz RBSXGOWTXJCVPH-HXUWFJFHSA-N 2 1 343.515 3.083 20 0 EGADMP COc1ccc(Oc2cc(CN[C@H]3CC[N@@H+](C)[C@H](C)C3)ccn2)cc1 ZINC000163438115 454847493 /nfs/dbraw/zinc/84/74/93/454847493.db2.gz NWZVRDKGWBTVMW-WBVHZDCISA-N 2 1 341.455 3.455 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000165360821 454898946 /nfs/dbraw/zinc/89/89/46/454898946.db2.gz IOIZYPXEJMNHHY-UZLBHIALSA-N 2 1 333.495 3.110 20 0 EGADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccccc1OC ZINC000154532767 454905072 /nfs/dbraw/zinc/90/50/72/454905072.db2.gz LVCJKDZJCJCTJZ-IBGZPJMESA-N 2 1 333.520 3.154 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000165883444 454905621 /nfs/dbraw/zinc/90/56/21/454905621.db2.gz FRVOXWCNWHAOGG-FQEVSTJZSA-N 2 1 343.515 3.209 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccc(F)c1 ZINC000126732050 454914664 /nfs/dbraw/zinc/91/46/64/454914664.db2.gz OYCZGCUNXRMUHZ-KRWDZBQOSA-N 2 1 341.474 3.424 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000151130646 454942545 /nfs/dbraw/zinc/94/25/45/454942545.db2.gz FMOZIAVASWNUDI-HKUYNNGSSA-N 2 1 326.488 3.314 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000151130646 454942550 /nfs/dbraw/zinc/94/25/50/454942550.db2.gz FMOZIAVASWNUDI-HKUYNNGSSA-N 2 1 326.488 3.314 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000127298205 454951940 /nfs/dbraw/zinc/95/19/40/454951940.db2.gz ULHWWBCSZSHVRS-SOLBZPMBSA-N 2 1 348.487 3.203 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCc2cc(Br)ccc2F)CC[N@H+]1C ZINC000155365911 454991697 /nfs/dbraw/zinc/99/16/97/454991697.db2.gz UMSUKFMDHRRBLV-RISCZKNCSA-N 2 1 329.257 3.203 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cc(Br)ccc2F)[C@H](C)C1 ZINC000155368362 454992587 /nfs/dbraw/zinc/99/25/87/454992587.db2.gz GQYRDFQHJSXZRJ-WBMJQRKESA-N 2 1 343.284 3.451 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)Cc1ccccc1 ZINC000151725363 455022560 /nfs/dbraw/zinc/02/25/60/455022560.db2.gz BTIOXDBXXIVDKI-JYAXBFRTSA-N 2 1 331.548 3.258 20 0 EGADMP O[C@@H](CN[C@@H]1CCCc2sccc21)C[N@H+]1CCc2ccccc2C1 ZINC000151795942 455031440 /nfs/dbraw/zinc/03/14/40/455031440.db2.gz RQDMMICDYKBDRN-PKOBYXMFSA-N 2 1 342.508 3.134 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000155917145 455062431 /nfs/dbraw/zinc/06/24/31/455062431.db2.gz XRNXAFUGSWVCKH-CALCHBBNSA-N 2 1 345.531 3.235 20 0 EGADMP C[C@@H](CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000155980494 455068710 /nfs/dbraw/zinc/06/87/10/455068710.db2.gz GDBNUUKTIYPFCG-XODKDNOYSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000155980494 455068713 /nfs/dbraw/zinc/06/87/13/455068713.db2.gz GDBNUUKTIYPFCG-XODKDNOYSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@@H](CN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000155980494 455068715 /nfs/dbraw/zinc/06/87/15/455068715.db2.gz GDBNUUKTIYPFCG-XODKDNOYSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@@H](CN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000155980494 455068720 /nfs/dbraw/zinc/06/87/20/455068720.db2.gz GDBNUUKTIYPFCG-XODKDNOYSA-N 2 1 344.547 3.002 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623655080 460661642 /nfs/dbraw/zinc/66/16/42/460661642.db2.gz OCFNQIARHXRULU-GOSISDBHSA-N 2 1 326.488 3.311 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623655080 460661647 /nfs/dbraw/zinc/66/16/47/460661647.db2.gz OCFNQIARHXRULU-GOSISDBHSA-N 2 1 326.488 3.311 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccnc(OCc2ccccc2)c1 ZINC000156324498 455105027 /nfs/dbraw/zinc/10/50/27/455105027.db2.gz ZDNWTHYFYFVRHB-UWVAXJGDSA-N 2 1 339.483 3.479 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000156324498 455105031 /nfs/dbraw/zinc/10/50/31/455105031.db2.gz ZDNWTHYFYFVRHB-UWVAXJGDSA-N 2 1 339.483 3.479 20 0 EGADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc1OC(F)F ZINC000152404957 455114279 /nfs/dbraw/zinc/11/42/79/455114279.db2.gz GRKVRFOZCKCVII-OLZOCXBDSA-N 2 1 340.414 3.432 20 0 EGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cnoc2C)CC1 ZINC000129817060 455127892 /nfs/dbraw/zinc/12/78/92/455127892.db2.gz BUQXRDMKYDDKQC-CQSZACIVSA-N 2 1 346.450 3.115 20 0 EGADMP C[C@H](C[C@@H]1CCCO1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000156736312 455147554 /nfs/dbraw/zinc/14/75/54/455147554.db2.gz JXPHNASXBXCDPA-UZLBHIALSA-N 2 1 334.479 3.380 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2cccs2)n1 ZINC000180393114 455163479 /nfs/dbraw/zinc/16/34/79/455163479.db2.gz MVQKRBZNYNNDPT-OAHLLOKOSA-N 2 1 330.501 3.066 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2cccs2)n1 ZINC000180393114 455163480 /nfs/dbraw/zinc/16/34/80/455163480.db2.gz MVQKRBZNYNNDPT-OAHLLOKOSA-N 2 1 330.501 3.066 20 0 EGADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157324882 455184562 /nfs/dbraw/zinc/18/45/62/455184562.db2.gz JNJBNJGWYMMBKT-SFHVURJKSA-N 2 1 325.456 3.391 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)CCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000237465703 455187197 /nfs/dbraw/zinc/18/71/97/455187197.db2.gz SXSSPFGMHXQAPL-QUCCMNQESA-N 2 1 345.531 3.407 20 0 EGADMP COC[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000158197711 455279496 /nfs/dbraw/zinc/27/94/96/455279496.db2.gz CSRKSAWRWWVSFS-CJNGLKHVSA-N 2 1 330.394 3.324 20 0 EGADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000158197711 455279505 /nfs/dbraw/zinc/27/95/05/455279505.db2.gz CSRKSAWRWWVSFS-CJNGLKHVSA-N 2 1 330.394 3.324 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000264770705 455280069 /nfs/dbraw/zinc/28/00/69/455280069.db2.gz RAEBKHLLNNVEPN-SFHVURJKSA-N 2 1 346.446 3.412 20 0 EGADMP COC(=O)c1oc([C@@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000181052632 455281422 /nfs/dbraw/zinc/28/14/22/455281422.db2.gz GAYDMQNGMLLBLC-HUUCEWRRSA-N 2 1 345.443 3.124 20 0 EGADMP COC(=O)c1oc([C@@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000181052632 455281426 /nfs/dbraw/zinc/28/14/26/455281426.db2.gz GAYDMQNGMLLBLC-HUUCEWRRSA-N 2 1 345.443 3.124 20 0 EGADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000245606421 455339575 /nfs/dbraw/zinc/33/95/75/455339575.db2.gz NHRYMRIKZVLFFW-GJYPPUQNSA-N 2 1 340.471 3.356 20 0 EGADMP CC1(C)[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)[C@H]2CCCO[C@H]21 ZINC000245867874 455388379 /nfs/dbraw/zinc/38/83/79/455388379.db2.gz IVRJJDFJKARXJZ-VAMGGRTRSA-N 2 1 328.500 3.228 20 0 EGADMP CC1(C)[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)[C@H]2CCCO[C@H]21 ZINC000245867874 455388382 /nfs/dbraw/zinc/38/83/82/455388382.db2.gz IVRJJDFJKARXJZ-VAMGGRTRSA-N 2 1 328.500 3.228 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000182409690 455507713 /nfs/dbraw/zinc/50/77/13/455507713.db2.gz AKYDEHYJFBWMDJ-FQEVSTJZSA-N 2 1 333.495 3.210 20 0 EGADMP C[C@H](CNC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC000246976462 455540523 /nfs/dbraw/zinc/54/05/23/455540523.db2.gz KQAXAVDLLUSSQV-ZIFCJYIRSA-N 2 1 347.547 3.251 20 0 EGADMP CC(C)COC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000247036611 455548812 /nfs/dbraw/zinc/54/88/12/455548812.db2.gz NHJFHSQOBHIQIU-HLAWJBBLSA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000247036611 455548817 /nfs/dbraw/zinc/54/88/17/455548817.db2.gz NHJFHSQOBHIQIU-HLAWJBBLSA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000247036611 455548821 /nfs/dbraw/zinc/54/88/21/455548821.db2.gz NHJFHSQOBHIQIU-HLAWJBBLSA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000247036611 455548824 /nfs/dbraw/zinc/54/88/24/455548824.db2.gz NHJFHSQOBHIQIU-HLAWJBBLSA-N 2 1 348.531 3.005 20 0 EGADMP CCc1oc(C(=O)OC)cc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247039177 455548920 /nfs/dbraw/zinc/54/89/20/455548920.db2.gz YTUPJDOUANBUOP-YOEHRIQHSA-N 2 1 346.471 3.077 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185410580 455555497 /nfs/dbraw/zinc/55/54/97/455555497.db2.gz NRXQAIFTWBWEOX-IBGZPJMESA-N 2 1 341.434 3.224 20 0 EGADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000247119079 455561631 /nfs/dbraw/zinc/56/16/31/455561631.db2.gz AJLTVIARIJYCPH-ZMSDIMECSA-N 2 1 334.504 3.300 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000185642677 455588761 /nfs/dbraw/zinc/58/87/61/455588761.db2.gz DRBYJEUEGZUVEO-GFCCVEGCSA-N 2 1 332.414 3.199 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2)[C@@H](C)C1 ZINC000247332140 455588912 /nfs/dbraw/zinc/58/89/12/455588912.db2.gz MQPNNBMIWNRHRA-ZWOKBUDYSA-N 2 1 334.504 3.483 20 0 EGADMP C[C@@H]([NH2+]Cc1cc(F)cc2c1OCOC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185746159 455613344 /nfs/dbraw/zinc/61/33/44/455613344.db2.gz JMBNYXPKWRQXNM-HUUCEWRRSA-N 2 1 348.462 3.435 20 0 EGADMP C[C@@H]([NH2+]Cc1cc(F)cc2c1OCOC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185746159 455613350 /nfs/dbraw/zinc/61/33/50/455613350.db2.gz JMBNYXPKWRQXNM-HUUCEWRRSA-N 2 1 348.462 3.435 20 0 EGADMP Cc1cc(C)n(CC[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000271372832 455614714 /nfs/dbraw/zinc/61/47/14/455614714.db2.gz RNPXPPPFDSJWQA-UHFFFAOYSA-N 2 1 341.503 3.133 20 0 EGADMP COc1ccccc1OCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185761076 455617307 /nfs/dbraw/zinc/61/73/07/455617307.db2.gz ZLKZPYWAIWBSHR-IAGOWNOFSA-N 2 1 332.488 3.317 20 0 EGADMP CCOc1ccccc1NC(=O)[C@H](C)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000247543390 455622520 /nfs/dbraw/zinc/62/25/20/455622520.db2.gz PIKWJPMUZNMXOD-DLBZAZTESA-N 2 1 347.503 3.219 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000247573395 455627381 /nfs/dbraw/zinc/62/73/81/455627381.db2.gz RZJBWICCNOGBDK-WOJBJXKFSA-N 2 1 348.531 3.015 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000247573395 455627385 /nfs/dbraw/zinc/62/73/85/455627385.db2.gz RZJBWICCNOGBDK-WOJBJXKFSA-N 2 1 348.531 3.015 20 0 EGADMP C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000192590556 455646460 /nfs/dbraw/zinc/64/64/60/455646460.db2.gz BKYBTCWXELHTKX-UZLBHIALSA-N 2 1 328.456 3.426 20 0 EGADMP C[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000192590600 455646502 /nfs/dbraw/zinc/64/65/02/455646502.db2.gz BKYBTCWXELHTKX-OXJNMPFZSA-N 2 1 328.456 3.426 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc(C)ccc1OC ZINC000271469079 455648783 /nfs/dbraw/zinc/64/87/83/455648783.db2.gz HDXRSCLCWNZBNN-SLFFLAALSA-N 2 1 346.515 3.422 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1nccs1 ZINC000284198305 455649726 /nfs/dbraw/zinc/64/97/26/455649726.db2.gz BNCQRVPILQGUFC-CQSZACIVSA-N 2 1 331.485 3.467 20 0 EGADMP CCN(CC)C(=O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271487064 455656972 /nfs/dbraw/zinc/65/69/72/455656972.db2.gz OKOJQNZMZUNVEQ-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP CCN(CC)C(=O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271487064 455656976 /nfs/dbraw/zinc/65/69/76/455656976.db2.gz OKOJQNZMZUNVEQ-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP C[C@@H](COCC(F)(F)F)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000271494274 455659242 /nfs/dbraw/zinc/65/92/42/455659242.db2.gz PMXSQYBBHKTNDT-HNNXBMFYSA-N 2 1 344.421 3.251 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000284312976 455666404 /nfs/dbraw/zinc/66/64/04/455666404.db2.gz VVXMFIJANVVHMT-OAQYLSRUSA-N 2 1 343.559 3.238 20 0 EGADMP CC[N@@H+]1CCC[C@H]1CN[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000248030244 455672367 /nfs/dbraw/zinc/67/23/67/455672367.db2.gz QETFMXRNAIOQTH-KDOFPFPSSA-N 2 1 330.476 3.105 20 0 EGADMP Cc1nc(C)c([C@H](C)[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)s1 ZINC000192736766 455681625 /nfs/dbraw/zinc/68/16/25/455681625.db2.gz BSZTUHCTBSPJGO-INIZCTEOSA-N 2 1 338.565 3.169 20 0 EGADMP COc1ccsc1[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000186134551 455700698 /nfs/dbraw/zinc/70/06/98/455700698.db2.gz CEXSBOARWPPKQO-ZNMIVQPWSA-N 2 1 326.506 3.297 20 0 EGADMP CC[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248397622 455712779 /nfs/dbraw/zinc/71/27/79/455712779.db2.gz IFAXQHDGVUWBHR-CWJKEVGVSA-N 2 1 330.516 3.285 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCCCC(=O)OCc2ccccc2)[C@@H](C)C1 ZINC000248438590 455715928 /nfs/dbraw/zinc/71/59/28/455715928.db2.gz HWMVMJJKUKOYOI-HKUYNNGSSA-N 2 1 332.488 3.220 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000268906621 455725360 /nfs/dbraw/zinc/72/53/60/455725360.db2.gz QDCSMLOPBFOZGX-QGZVFWFLSA-N 2 1 342.487 3.159 20 0 EGADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)[C@@H]1Oc1ccccc1 ZINC000186258123 455726886 /nfs/dbraw/zinc/72/68/86/455726886.db2.gz OMDWCYFAVBJCQY-UFYCRDLUSA-N 2 1 332.488 3.074 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000268913137 455728031 /nfs/dbraw/zinc/72/80/31/455728031.db2.gz ZLZUDBQRQZBRGE-HNNXBMFYSA-N 2 1 326.444 3.059 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cnc2ccsc2c1 ZINC000268959947 455745039 /nfs/dbraw/zinc/74/50/39/455745039.db2.gz XCGGGLDTUBOVGH-ZBFHGGJFSA-N 2 1 333.501 3.184 20 0 EGADMP CCn1cc(CC[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000284935886 455764631 /nfs/dbraw/zinc/76/46/31/455764631.db2.gz INBCNZIFGNRQFI-UHFFFAOYSA-N 2 1 341.503 3.079 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271822356 455775183 /nfs/dbraw/zinc/77/51/83/455775183.db2.gz CPLGWIBTDMNQQU-OAHLLOKOSA-N 2 1 330.476 3.129 20 0 EGADMP C[C@@H](CC[S@](C)=O)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285007309 455776076 /nfs/dbraw/zinc/77/60/76/455776076.db2.gz GZSHFYCKDLGRDV-SGHJIKFBSA-N 2 1 336.545 3.176 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4C[C@@H]5OCCC[C@H]45)[C@H]3C2)cc1 ZINC000250121913 455785983 /nfs/dbraw/zinc/78/59/83/455785983.db2.gz VNKFOIDBWWGRMY-FITZOCOBSA-N 2 1 326.484 3.054 20 0 EGADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000285517547 455862975 /nfs/dbraw/zinc/86/29/75/455862975.db2.gz KDPGUCRJPPQANX-OAQYLSRUSA-N 2 1 338.499 3.098 20 0 EGADMP Cc1cc(C)n(CC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000285517547 455862979 /nfs/dbraw/zinc/86/29/79/455862979.db2.gz KDPGUCRJPPQANX-OAQYLSRUSA-N 2 1 338.499 3.098 20 0 EGADMP Cc1cc(C)n(CC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000285517547 455862981 /nfs/dbraw/zinc/86/29/81/455862981.db2.gz KDPGUCRJPPQANX-OAQYLSRUSA-N 2 1 338.499 3.098 20 0 EGADMP Cc1cc(C)n(CC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000285517547 455862982 /nfs/dbraw/zinc/86/29/82/455862982.db2.gz KDPGUCRJPPQANX-OAQYLSRUSA-N 2 1 338.499 3.098 20 0 EGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000272178786 455868555 /nfs/dbraw/zinc/86/85/55/455868555.db2.gz SERLPSBRFCLHAT-INIZCTEOSA-N 2 1 330.472 3.216 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C)c1OC ZINC000285604271 455880163 /nfs/dbraw/zinc/88/01/63/455880163.db2.gz JWQQSJCEMBCMMU-HOCLYGCPSA-N 2 1 332.488 3.017 20 0 EGADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000280064849 455882739 /nfs/dbraw/zinc/88/27/39/455882739.db2.gz XEKBDRVPBANYJD-GJZGRUSLSA-N 2 1 331.460 3.381 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N2CCCOC2=O)cc1 ZINC000296267044 455896439 /nfs/dbraw/zinc/89/64/39/455896439.db2.gz DMKFJWKMHSZALM-NMACRGETSA-N 2 1 343.471 3.309 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000261605136 455911555 /nfs/dbraw/zinc/91/15/55/455911555.db2.gz AEFAIUQPSDQPQH-JSGCOSHPSA-N 2 1 328.403 3.103 20 0 EGADMP CN(CCC[N@@H+](C)C[C@H](O)c1c(F)cccc1F)Cc1ccco1 ZINC000285832253 455925103 /nfs/dbraw/zinc/92/51/03/455925103.db2.gz WXJJRYRKVPMGSB-KRWDZBQOSA-N 2 1 338.398 3.045 20 0 EGADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000261694393 455930035 /nfs/dbraw/zinc/93/00/35/455930035.db2.gz HSDBDYFAYNJINC-OAQYLSRUSA-N 2 1 338.499 3.396 20 0 EGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000261694393 455930041 /nfs/dbraw/zinc/93/00/41/455930041.db2.gz HSDBDYFAYNJINC-OAQYLSRUSA-N 2 1 338.499 3.396 20 0 EGADMP Cc1nc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000272378427 455931239 /nfs/dbraw/zinc/93/12/39/455931239.db2.gz BMOLYBYCHXWUQB-MAUKXSAKSA-N 2 1 329.513 3.494 20 0 EGADMP C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261723133 455935992 /nfs/dbraw/zinc/93/59/92/455935992.db2.gz LIAQUZXSYZDPGG-HQRMLTQVSA-N 2 1 347.466 3.003 20 0 EGADMP C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261723133 455935999 /nfs/dbraw/zinc/93/59/99/455935999.db2.gz LIAQUZXSYZDPGG-HQRMLTQVSA-N 2 1 347.466 3.003 20 0 EGADMP COc1nccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)n1 ZINC000296441083 455940336 /nfs/dbraw/zinc/94/03/36/455940336.db2.gz NSYGRLDMHGFWJJ-MRXNPFEDSA-N 2 1 340.471 3.149 20 0 EGADMP COc1nccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)n1 ZINC000296441083 455940340 /nfs/dbraw/zinc/94/03/40/455940340.db2.gz NSYGRLDMHGFWJJ-MRXNPFEDSA-N 2 1 340.471 3.149 20 0 EGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000270368834 455940447 /nfs/dbraw/zinc/94/04/47/455940447.db2.gz JIJTUOQLABLYMQ-IBGZPJMESA-N 2 1 325.456 3.298 20 0 EGADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000285988941 455956311 /nfs/dbraw/zinc/95/63/11/455956311.db2.gz HZCGSUBHVRLBAS-FQEVSTJZSA-N 2 1 336.439 3.169 20 0 EGADMP CCOc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000261882615 455964503 /nfs/dbraw/zinc/96/45/03/455964503.db2.gz MSKOBOQDZAVITA-AWEZNQCLSA-N 2 1 328.403 3.261 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000195466252 455965076 /nfs/dbraw/zinc/96/50/76/455965076.db2.gz LTIAWZOKDSRLMR-BZSNNMDCSA-N 2 1 333.495 3.377 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000270491467 455967173 /nfs/dbraw/zinc/96/71/73/455967173.db2.gz MBNXTLRIFRMMLR-NSHDSACASA-N 2 1 346.302 3.337 20 0 EGADMP COc1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000272489217 455967751 /nfs/dbraw/zinc/96/77/51/455967751.db2.gz MWABVAUCUMSZRU-SJLPKXTDSA-N 2 1 325.456 3.090 20 0 EGADMP COc1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000272489217 455967758 /nfs/dbraw/zinc/96/77/58/455967758.db2.gz MWABVAUCUMSZRU-SJLPKXTDSA-N 2 1 325.456 3.090 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1)C(C)C ZINC000261911493 455970621 /nfs/dbraw/zinc/97/06/21/455970621.db2.gz XQBDYEOZXGUPQW-UHFFFAOYSA-N 2 1 343.515 3.133 20 0 EGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000262032251 455987732 /nfs/dbraw/zinc/98/77/32/455987732.db2.gz XIFLKIMFYJAHNX-RYUDHWBXSA-N 2 1 338.377 3.265 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000262032253 455987747 /nfs/dbraw/zinc/98/77/47/455987747.db2.gz XIFLKIMFYJAHNX-VXGBXAGGSA-N 2 1 338.377 3.265 20 0 EGADMP Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272552999 455992306 /nfs/dbraw/zinc/99/23/06/455992306.db2.gz SUTYRUGQTMHDEG-LVCYWYKZSA-N 2 1 340.515 3.328 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272552999 455992309 /nfs/dbraw/zinc/99/23/09/455992309.db2.gz SUTYRUGQTMHDEG-LVCYWYKZSA-N 3 1 340.515 3.328 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272552999 455992316 /nfs/dbraw/zinc/99/23/16/455992316.db2.gz SUTYRUGQTMHDEG-LVCYWYKZSA-N 3 1 340.515 3.328 20 0 EGADMP C[C@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000272555430 455992909 /nfs/dbraw/zinc/99/29/09/455992909.db2.gz FXRMBFOWRJCLSP-SVFBPWRDSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000272555430 455992912 /nfs/dbraw/zinc/99/29/12/455992912.db2.gz FXRMBFOWRJCLSP-SVFBPWRDSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000272555430 455992917 /nfs/dbraw/zinc/99/29/17/455992917.db2.gz FXRMBFOWRJCLSP-SVFBPWRDSA-N 3 1 329.532 3.219 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000188110361 455998841 /nfs/dbraw/zinc/99/88/41/455998841.db2.gz LSUNMEBIRRUANY-HKUYNNGSSA-N 2 1 346.515 3.276 20 0 EGADMP COC(=O)[C@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000188110361 455998845 /nfs/dbraw/zinc/99/88/45/455998845.db2.gz LSUNMEBIRRUANY-HKUYNNGSSA-N 2 1 346.515 3.276 20 0 EGADMP COC(=O)[C@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000188110361 455998849 /nfs/dbraw/zinc/99/88/49/455998849.db2.gz LSUNMEBIRRUANY-HKUYNNGSSA-N 2 1 346.515 3.276 20 0 EGADMP Cc1cccc(CC2(O)CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000280571162 456002967 /nfs/dbraw/zinc/00/29/67/456002967.db2.gz RYQFENXHFSBFCK-UHFFFAOYSA-N 2 1 330.516 3.240 20 0 EGADMP Cc1nccn1CCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272601946 456010246 /nfs/dbraw/zinc/01/02/46/456010246.db2.gz YNSULFFINOZLFR-PXNSSMCTSA-N 2 1 326.488 3.082 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272601946 456010251 /nfs/dbraw/zinc/01/02/51/456010251.db2.gz YNSULFFINOZLFR-PXNSSMCTSA-N 3 1 326.488 3.082 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272601946 456010256 /nfs/dbraw/zinc/01/02/56/456010256.db2.gz YNSULFFINOZLFR-PXNSSMCTSA-N 3 1 326.488 3.082 20 0 EGADMP COC(=O)c1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1Cl ZINC000296744596 456026472 /nfs/dbraw/zinc/02/64/72/456026472.db2.gz JZLILWIQOSLUAP-PBHICJAKSA-N 2 1 336.863 3.043 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(C)c1OC ZINC000286331374 456027139 /nfs/dbraw/zinc/02/71/39/456027139.db2.gz XXPLRBKCDXUECE-GJZGRUSLSA-N 2 1 345.487 3.374 20 0 EGADMP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCCCC1 ZINC000216436459 456029519 /nfs/dbraw/zinc/02/95/19/456029519.db2.gz JJQPTJQBANJINI-IBGZPJMESA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286379613 456036096 /nfs/dbraw/zinc/03/60/96/456036096.db2.gz ZZAVPKCOSSBWLB-SJORKVTESA-N 2 1 327.476 3.038 20 0 EGADMP C[C@H]([NH2+]CCOc1ncccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272810957 456076837 /nfs/dbraw/zinc/07/68/37/456076837.db2.gz NKKNEMPTJJWKDS-FUHWJXTLSA-N 2 1 343.446 3.100 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000280996605 456104556 /nfs/dbraw/zinc/10/45/56/456104556.db2.gz NHYYLHOAFJZUCY-JKIFEVAISA-N 2 1 344.421 3.489 20 0 EGADMP C[C@H]1C[C@H](NCc2c(F)ccc(Br)c2F)CC[N@H+]1C ZINC000230309944 456135979 /nfs/dbraw/zinc/13/59/79/456135979.db2.gz MRWRXZPOENFLCY-VHSXEESVSA-N 2 1 333.220 3.300 20 0 EGADMP CC(C)C[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000236704098 456171699 /nfs/dbraw/zinc/17/16/99/456171699.db2.gz XFAPQPIXTNRFMZ-APWZRJJASA-N 2 1 331.504 3.051 20 0 EGADMP CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000281239069 456174576 /nfs/dbraw/zinc/17/45/76/456174576.db2.gz VDLALOADBGYANQ-QAPCUYQASA-N 2 1 340.471 3.090 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H](C)[C@@H]3CCC[NH2+]C3)c2C1 ZINC000236811963 456187499 /nfs/dbraw/zinc/18/74/99/456187499.db2.gz UILIVOVWVOGMMQ-HZPDHXFCSA-N 2 1 329.488 3.377 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H](C)[C@@H]3CCC[NH2+]C3)c2C1 ZINC000236811963 456187503 /nfs/dbraw/zinc/18/75/03/456187503.db2.gz UILIVOVWVOGMMQ-HZPDHXFCSA-N 2 1 329.488 3.377 20 0 EGADMP CCCOc1cccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000236876309 456195769 /nfs/dbraw/zinc/19/57/69/456195769.db2.gz OSNFVUSLCISSBA-HDICACEKSA-N 2 1 334.504 3.454 20 0 EGADMP CCOc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OCC(F)(F)F ZINC000236914939 456201535 /nfs/dbraw/zinc/20/15/35/456201535.db2.gz ODADYCJHPHQUFS-UHFFFAOYSA-N 2 1 346.393 3.210 20 0 EGADMP COc1cc(C)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1C ZINC000273187369 456206709 /nfs/dbraw/zinc/20/67/09/456206709.db2.gz PDRDWFGULWNZDP-MSOLQXFVSA-N 2 1 334.504 3.200 20 0 EGADMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(Cl)cn1 ZINC000290174340 456259132 /nfs/dbraw/zinc/25/91/32/456259132.db2.gz DXEXPBVTRWTNEV-CQSZACIVSA-N 2 1 348.878 3.311 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[NH+](C(C)C)CC2)cc1 ZINC000263908996 456261763 /nfs/dbraw/zinc/26/17/63/456261763.db2.gz JCOOBDIRJOBLOS-UHFFFAOYSA-N 2 1 345.531 3.475 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC000263908996 456261768 /nfs/dbraw/zinc/26/17/68/456261768.db2.gz JCOOBDIRJOBLOS-UHFFFAOYSA-N 2 1 345.531 3.475 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](C(C)C)CC2)cc1 ZINC000263908996 456261773 /nfs/dbraw/zinc/26/17/73/456261773.db2.gz JCOOBDIRJOBLOS-UHFFFAOYSA-N 2 1 345.531 3.475 20 0 EGADMP COc1ccc(C[C@H](C)C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352760736 456281997 /nfs/dbraw/zinc/28/19/97/456281997.db2.gz RPGPHXSOUKTPSK-AWEZNQCLSA-N 2 1 333.501 3.182 20 0 EGADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000290304321 456285935 /nfs/dbraw/zinc/28/59/35/456285935.db2.gz BOPFQRXOTZVCDF-IBGZPJMESA-N 2 1 330.520 3.090 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)s2)cn1 ZINC000290321911 456291516 /nfs/dbraw/zinc/29/15/16/456291516.db2.gz CZVIINAAGIENTC-INIZCTEOSA-N 2 1 344.528 3.312 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2c[nH]c3nccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000290322593 456293090 /nfs/dbraw/zinc/29/30/90/456293090.db2.gz ABBLMDBNZHORPJ-YJBOKZPZSA-N 2 1 335.455 3.101 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2c[nH]c3nccnc23)CC[N@H+]1Cc1ccccc1 ZINC000290322593 456293097 /nfs/dbraw/zinc/29/30/97/456293097.db2.gz ABBLMDBNZHORPJ-YJBOKZPZSA-N 2 1 335.455 3.101 20 0 EGADMP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1noc(-c2ccccc2)n1 ZINC000297806223 456298552 /nfs/dbraw/zinc/29/85/52/456298552.db2.gz XVWZAOHBAWDXGL-OAHLLOKOSA-N 2 1 349.438 3.451 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000290354474 456302798 /nfs/dbraw/zinc/30/27/98/456302798.db2.gz GIBHHDWEIKGNSU-UHFFFAOYSA-N 2 1 345.397 3.382 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000290354474 456302805 /nfs/dbraw/zinc/30/28/05/456302805.db2.gz GIBHHDWEIKGNSU-UHFFFAOYSA-N 2 1 345.397 3.382 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000297946283 456331631 /nfs/dbraw/zinc/33/16/31/456331631.db2.gz VLXCHNMYGLPVNT-MOPGFXCFSA-N 2 1 345.531 3.075 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000297946283 456331639 /nfs/dbraw/zinc/33/16/39/456331639.db2.gz VLXCHNMYGLPVNT-MOPGFXCFSA-N 2 1 345.531 3.075 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000297946283 456331642 /nfs/dbraw/zinc/33/16/42/456331642.db2.gz VLXCHNMYGLPVNT-MOPGFXCFSA-N 2 1 345.531 3.075 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000297946283 456331654 /nfs/dbraw/zinc/33/16/54/456331654.db2.gz VLXCHNMYGLPVNT-MOPGFXCFSA-N 2 1 345.531 3.075 20 0 EGADMP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000290530918 456354382 /nfs/dbraw/zinc/35/43/82/456354382.db2.gz QQZZRVPLMTWCMR-QYZOEREBSA-N 2 1 330.472 3.286 20 0 EGADMP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000290530918 456354388 /nfs/dbraw/zinc/35/43/88/456354388.db2.gz QQZZRVPLMTWCMR-QYZOEREBSA-N 2 1 330.472 3.286 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C[C@H]1c1ccccc1 ZINC000340318736 456384071 /nfs/dbraw/zinc/38/40/71/456384071.db2.gz XDVHEPGOIUHTOZ-WKWVNEEDSA-N 2 1 326.484 3.369 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C[C@H]1c1ccccc1 ZINC000340318736 456384076 /nfs/dbraw/zinc/38/40/76/456384076.db2.gz XDVHEPGOIUHTOZ-WKWVNEEDSA-N 2 1 326.484 3.369 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343103310 456407721 /nfs/dbraw/zinc/40/77/21/456407721.db2.gz OSBUDGBXPBBWTP-IBGZPJMESA-N 2 1 335.923 3.191 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000276222839 456417479 /nfs/dbraw/zinc/41/74/79/456417479.db2.gz MFNOVDJHMLPEPJ-UYAOXDASSA-N 2 1 346.515 3.294 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000276222839 456417484 /nfs/dbraw/zinc/41/74/84/456417484.db2.gz MFNOVDJHMLPEPJ-UYAOXDASSA-N 2 1 346.515 3.294 20 0 EGADMP COc1ccc(Cl)cc1N1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000298424316 456453583 /nfs/dbraw/zinc/45/35/83/456453583.db2.gz MRQAEUZLARQHNJ-INIZCTEOSA-N 2 1 349.906 3.144 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000348101802 456482028 /nfs/dbraw/zinc/48/20/28/456482028.db2.gz LEIPKCOWVJUIIO-GOSISDBHSA-N 2 1 349.482 3.440 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]Cc2cccc(OC3CCCC3)c2)CC1(C)C ZINC000282460463 456522052 /nfs/dbraw/zinc/52/20/52/456522052.db2.gz TXSKTGBWUVMOEL-UHFFFAOYSA-N 2 1 345.531 3.124 20 0 EGADMP CC[C@H](C)[C@](C)(O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000305158643 456533294 /nfs/dbraw/zinc/53/32/94/456533294.db2.gz WLEOHWXNVYLZAO-OXJNMPFZSA-N 2 1 336.495 3.219 20 0 EGADMP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000305764267 456556656 /nfs/dbraw/zinc/55/66/56/456556656.db2.gz BMNWXZMCYOALBP-KFKAGJAMSA-N 2 1 332.488 3.114 20 0 EGADMP COc1cc(OC)c(CNC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1F ZINC000651741450 462321399 /nfs/dbraw/zinc/32/13/99/462321399.db2.gz KMTMWBFUSGEJLY-OAHLLOKOSA-N 2 1 338.467 3.301 20 0 EGADMP COc1cc(OC)c(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1F ZINC000651741450 462321404 /nfs/dbraw/zinc/32/14/04/462321404.db2.gz KMTMWBFUSGEJLY-OAHLLOKOSA-N 2 1 338.467 3.301 20 0 EGADMP COc1cc(OC)c(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1F ZINC000651741450 462321410 /nfs/dbraw/zinc/32/14/10/462321410.db2.gz KMTMWBFUSGEJLY-OAHLLOKOSA-N 2 1 338.467 3.301 20 0 EGADMP CC[N@@H+]1CCC[C@H](CN(C)c2cccc(C)[nH+]2)[C@@H]1c1cnn(C)c1 ZINC000337856401 456572203 /nfs/dbraw/zinc/57/22/03/456572203.db2.gz HISZXURHSGROGQ-VQIMIIECSA-N 2 1 327.476 3.033 20 0 EGADMP CC[N@H+]1CCC[C@H](CN(C)c2cccc(C)[nH+]2)[C@@H]1c1cnn(C)c1 ZINC000337856401 456572209 /nfs/dbraw/zinc/57/22/09/456572209.db2.gz HISZXURHSGROGQ-VQIMIIECSA-N 2 1 327.476 3.033 20 0 EGADMP O[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000307946239 456572436 /nfs/dbraw/zinc/57/24/36/456572436.db2.gz JDVOUBWPZKFVSM-SJORKVTESA-N 2 1 344.421 3.192 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000309796183 456577292 /nfs/dbraw/zinc/57/72/92/456577292.db2.gz ITBUULXAEMPIBE-CVEARBPZSA-N 2 1 327.513 3.094 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000309796183 456577297 /nfs/dbraw/zinc/57/72/97/456577297.db2.gz ITBUULXAEMPIBE-CVEARBPZSA-N 2 1 327.513 3.094 20 0 EGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CCC(F)(F)CC1 ZINC000353239605 456580140 /nfs/dbraw/zinc/58/01/40/456580140.db2.gz XAEAMRQTZPVKFQ-OAHLLOKOSA-N 2 1 331.495 3.064 20 0 EGADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000353242051 456582537 /nfs/dbraw/zinc/58/25/37/456582537.db2.gz HKAMTSLQYVKANN-HXUWFJFHSA-N 2 1 345.531 3.035 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000312902006 456595105 /nfs/dbraw/zinc/59/51/05/456595105.db2.gz PRUJMYVIMJAGTN-SFHVURJKSA-N 2 1 346.906 3.427 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000312902006 456595108 /nfs/dbraw/zinc/59/51/08/456595108.db2.gz PRUJMYVIMJAGTN-SFHVURJKSA-N 2 1 346.906 3.427 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000299089805 456602841 /nfs/dbraw/zinc/60/28/41/456602841.db2.gz UKFUVXDLXIKVJP-RIFZZMRRSA-N 2 1 341.499 3.183 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000299089805 456602848 /nfs/dbraw/zinc/60/28/48/456602848.db2.gz UKFUVXDLXIKVJP-RIFZZMRRSA-N 2 1 341.499 3.183 20 0 EGADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc21 ZINC000282748231 456612882 /nfs/dbraw/zinc/61/28/82/456612882.db2.gz AOKCAGYFPBJNPR-OALUTQOASA-N 2 1 328.456 3.020 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OCCC(C)C ZINC000340673762 456615407 /nfs/dbraw/zinc/61/54/07/456615407.db2.gz CNLOYTXMPBBZAU-HXUWFJFHSA-N 2 1 332.488 3.306 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OCCC(C)C ZINC000340673762 456615417 /nfs/dbraw/zinc/61/54/17/456615417.db2.gz CNLOYTXMPBBZAU-HXUWFJFHSA-N 2 1 332.488 3.306 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[NH+](C)[C@@H]2C)cc1 ZINC000343445057 456626302 /nfs/dbraw/zinc/62/63/02/456626302.db2.gz NQFXJXWTUDSQFZ-APWZRJJASA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000343445057 456626308 /nfs/dbraw/zinc/62/63/08/456626308.db2.gz NQFXJXWTUDSQFZ-APWZRJJASA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000343445057 456626315 /nfs/dbraw/zinc/62/63/15/456626315.db2.gz NQFXJXWTUDSQFZ-APWZRJJASA-N 2 1 331.504 3.131 20 0 EGADMP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000320302792 456628630 /nfs/dbraw/zinc/62/86/30/456628630.db2.gz KJHVBEFIKPLVMY-MRXNPFEDSA-N 2 1 332.488 3.218 20 0 EGADMP CCCCCOc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000340691555 456629610 /nfs/dbraw/zinc/62/96/10/456629610.db2.gz QFBLEDPZPFHGQY-FQEVSTJZSA-N 2 1 332.488 3.450 20 0 EGADMP CCCCCOc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000340691555 456629615 /nfs/dbraw/zinc/62/96/15/456629615.db2.gz QFBLEDPZPFHGQY-FQEVSTJZSA-N 2 1 332.488 3.450 20 0 EGADMP c1ccc([C@H]2C[C@H]2C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000348345871 456638305 /nfs/dbraw/zinc/63/83/05/456638305.db2.gz RCYGFKWDPKXTGE-FCHUYYIVSA-N 2 1 336.479 3.412 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000276997595 456646769 /nfs/dbraw/zinc/64/67/69/456646769.db2.gz VUVDGWWUPRFZBK-UHFFFAOYSA-N 2 1 328.641 3.397 20 0 EGADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000282879089 456654327 /nfs/dbraw/zinc/65/43/27/456654327.db2.gz VPPLVPKJXAFGFZ-PWRODBHTSA-N 2 1 346.515 3.072 20 0 EGADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000282879089 456654335 /nfs/dbraw/zinc/65/43/35/456654335.db2.gz VPPLVPKJXAFGFZ-PWRODBHTSA-N 2 1 346.515 3.072 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000338169110 456680960 /nfs/dbraw/zinc/68/09/60/456680960.db2.gz ILCLOTPZEIVNQW-OXQOHEQNSA-N 2 1 335.455 3.191 20 0 EGADMP CCn1nccc1C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000283022902 456692550 /nfs/dbraw/zinc/69/25/50/456692550.db2.gz PQKMJALHNVBHFE-IBGZPJMESA-N 2 1 326.488 3.293 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000343566594 456711044 /nfs/dbraw/zinc/71/10/44/456711044.db2.gz IKIZGHBMIILHRI-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000343586092 456725505 /nfs/dbraw/zinc/72/55/05/456725505.db2.gz PEGYZSZJJHCMOF-QZTJIDSGSA-N 2 1 345.531 3.121 20 0 EGADMP CCc1nnc([C@@H](C)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000328655549 456729053 /nfs/dbraw/zinc/72/90/53/456729053.db2.gz MZRMHJZUYRYFBE-ZIAGYGMSSA-N 2 1 329.448 3.105 20 0 EGADMP C[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343917244 456782406 /nfs/dbraw/zinc/78/24/06/456782406.db2.gz CUVSHJDVGYXPCN-JRGCBEDISA-N 2 1 327.516 3.022 20 0 EGADMP CCC1(CC)[C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1OC ZINC000344073383 456793257 /nfs/dbraw/zinc/79/32/57/456793257.db2.gz VNXMEWSOHKPXFO-XMTFNYHQSA-N 2 1 326.525 3.059 20 0 EGADMP CC(C)[C@@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+](C)C ZINC000348671535 456809100 /nfs/dbraw/zinc/80/91/00/456809100.db2.gz XKGBSLYSKUCZML-XLIONFOSSA-N 2 1 345.531 3.263 20 0 EGADMP CC[C@@H](C[NH2+]Cc1ccc(C)cc1-c1ccnn1C)[NH+]1CCCC1 ZINC000338436337 456819568 /nfs/dbraw/zinc/81/95/68/456819568.db2.gz OCTHMNYDPXUJNP-SFHVURJKSA-N 2 1 326.488 3.360 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000292013693 456829132 /nfs/dbraw/zinc/82/91/32/456829132.db2.gz BSGGSSVXCFAOFE-DLBZAZTESA-N 2 1 331.504 3.159 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c2ccccc21 ZINC000338687370 456852855 /nfs/dbraw/zinc/85/28/55/456852855.db2.gz OJUGGZZCYWHQGW-MOPGFXCFSA-N 2 1 332.488 3.488 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000292102128 456856078 /nfs/dbraw/zinc/85/60/78/456856078.db2.gz IBJLSKXDMAQQNE-MRXNPFEDSA-N 2 1 328.378 3.155 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000292102128 456856085 /nfs/dbraw/zinc/85/60/85/456856085.db2.gz IBJLSKXDMAQQNE-MRXNPFEDSA-N 2 1 328.378 3.155 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000292102128 456856090 /nfs/dbraw/zinc/85/60/90/456856090.db2.gz IBJLSKXDMAQQNE-MRXNPFEDSA-N 2 1 328.378 3.155 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(OC)c(OC)c2)C[C@H]1C ZINC000353748285 456888122 /nfs/dbraw/zinc/88/81/22/456888122.db2.gz HIQJQRZRXRYTAX-ZBFHGGJFSA-N 2 1 336.476 3.017 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(OC)c(OC)c2)C[C@H]1C ZINC000353748285 456888123 /nfs/dbraw/zinc/88/81/23/456888123.db2.gz HIQJQRZRXRYTAX-ZBFHGGJFSA-N 2 1 336.476 3.017 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)c(OC)c(OC)c2)C[C@H]1C ZINC000353748285 456888124 /nfs/dbraw/zinc/88/81/24/456888124.db2.gz HIQJQRZRXRYTAX-ZBFHGGJFSA-N 2 1 336.476 3.017 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(OC)c(OC)c2)C[C@H]1C ZINC000353748285 456888125 /nfs/dbraw/zinc/88/81/25/456888125.db2.gz HIQJQRZRXRYTAX-ZBFHGGJFSA-N 2 1 336.476 3.017 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnc3c(cnn3C(C)C)c2)C[C@H]1C ZINC000353751977 456889958 /nfs/dbraw/zinc/88/99/58/456889958.db2.gz QYCKBDXBIKYCEM-CRAIPNDOSA-N 2 1 329.492 3.317 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(cnn3C(C)C)c2)C[C@H]1C ZINC000353751977 456889960 /nfs/dbraw/zinc/88/99/60/456889960.db2.gz QYCKBDXBIKYCEM-CRAIPNDOSA-N 2 1 329.492 3.317 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(cnn3C(C)C)c2)C[C@H]1C ZINC000353751977 456889962 /nfs/dbraw/zinc/88/99/62/456889962.db2.gz QYCKBDXBIKYCEM-CRAIPNDOSA-N 2 1 329.492 3.317 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnc([C@H]4CCCO4)s3)C2)CC1 ZINC000349194232 456910145 /nfs/dbraw/zinc/91/01/45/456910145.db2.gz RRKHTGPNOAIDPI-DOTOQJQBSA-N 2 1 335.517 3.158 20 0 EGADMP Cc1oc2ccccc2c1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349290880 456933361 /nfs/dbraw/zinc/93/33/61/456933361.db2.gz YIWCOQBVVCLVHF-MRXNPFEDSA-N 2 1 341.499 3.342 20 0 EGADMP COCCCOc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000353860643 456939911 /nfs/dbraw/zinc/93/99/11/456939911.db2.gz YIIFBLPTXAMRSR-UHFFFAOYSA-N 2 1 334.504 3.454 20 0 EGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000349346304 456948342 /nfs/dbraw/zinc/94/83/42/456948342.db2.gz KBOSHHRGAFOFGL-UHFFFAOYSA-N 2 1 338.879 3.419 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000349346304 456948347 /nfs/dbraw/zinc/94/83/47/456948347.db2.gz KBOSHHRGAFOFGL-UHFFFAOYSA-N 2 1 338.879 3.419 20 0 EGADMP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)cc(Cl)c1OC ZINC000349384826 456960105 /nfs/dbraw/zinc/96/01/05/456960105.db2.gz PPDCZNJELSEQPK-UHFFFAOYSA-N 2 1 337.851 3.384 20 0 EGADMP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc(Cl)c1OC ZINC000349384826 456960108 /nfs/dbraw/zinc/96/01/08/456960108.db2.gz PPDCZNJELSEQPK-UHFFFAOYSA-N 2 1 337.851 3.384 20 0 EGADMP CC[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](CC)CC ZINC000353906974 456960974 /nfs/dbraw/zinc/96/09/74/456960974.db2.gz PYDPTDDQDUSHLR-UYAOXDASSA-N 2 1 345.531 3.230 20 0 EGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000349445156 456969139 /nfs/dbraw/zinc/96/91/39/456969139.db2.gz FCJRCVDMECAEKA-KXBFYZLASA-N 2 1 336.907 3.400 20 0 EGADMP CCCC[N@@H+](CCOC)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000341873336 456980901 /nfs/dbraw/zinc/98/09/01/456980901.db2.gz HFBCVJCTYNSEGB-HXUWFJFHSA-N 2 1 334.504 3.026 20 0 EGADMP CCCCN(CCOC)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341873336 456980903 /nfs/dbraw/zinc/98/09/03/456980903.db2.gz HFBCVJCTYNSEGB-HXUWFJFHSA-N 2 1 334.504 3.026 20 0 EGADMP CCCCN(CCOC)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341873336 456980904 /nfs/dbraw/zinc/98/09/04/456980904.db2.gz HFBCVJCTYNSEGB-HXUWFJFHSA-N 2 1 334.504 3.026 20 0 EGADMP Cc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000358875712 457018599 /nfs/dbraw/zinc/01/85/99/457018599.db2.gz TVVHGPPMWOTUKZ-OALUTQOASA-N 2 1 346.515 3.085 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000339260932 457025695 /nfs/dbraw/zinc/02/56/95/457025695.db2.gz OBWGEBKSOAMOAQ-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000354041455 457027313 /nfs/dbraw/zinc/02/73/13/457027313.db2.gz UMPJUTPEHYZNEF-INIZCTEOSA-N 2 1 331.287 3.491 20 0 EGADMP CCCn1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000356536047 457042652 /nfs/dbraw/zinc/04/26/52/457042652.db2.gz YBHSOKLSPPHNTE-RTWAWAEBSA-N 2 1 338.499 3.247 20 0 EGADMP CCCn1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000356536047 457042660 /nfs/dbraw/zinc/04/26/60/457042660.db2.gz YBHSOKLSPPHNTE-RTWAWAEBSA-N 2 1 338.499 3.247 20 0 EGADMP CCCn1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000356536047 457042665 /nfs/dbraw/zinc/04/26/65/457042665.db2.gz YBHSOKLSPPHNTE-RTWAWAEBSA-N 2 1 338.499 3.247 20 0 EGADMP CCCn1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000356536047 457042671 /nfs/dbraw/zinc/04/26/71/457042671.db2.gz YBHSOKLSPPHNTE-RTWAWAEBSA-N 2 1 338.499 3.247 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000354078127 457047769 /nfs/dbraw/zinc/04/77/69/457047769.db2.gz NNUATVXNDYLZAL-QGZVFWFLSA-N 2 1 345.462 3.307 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000354077204 457047933 /nfs/dbraw/zinc/04/79/33/457047933.db2.gz BXBRCODDXHSWRP-HNNXBMFYSA-N 2 1 328.859 3.412 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000354077204 457047937 /nfs/dbraw/zinc/04/79/37/457047937.db2.gz BXBRCODDXHSWRP-HNNXBMFYSA-N 2 1 328.859 3.412 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000354085131 457051432 /nfs/dbraw/zinc/05/14/32/457051432.db2.gz UNEZKPOXGZDFIC-INIZCTEOSA-N 2 1 342.430 3.221 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362701172 457051749 /nfs/dbraw/zinc/05/17/49/457051749.db2.gz FJMDXPYIQZADMO-AHRSYUTCSA-N 2 1 333.495 3.235 20 0 EGADMP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000356599349 457076603 /nfs/dbraw/zinc/07/66/03/457076603.db2.gz PAVMEYZBEZIEEF-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000356599349 457076608 /nfs/dbraw/zinc/07/66/08/457076608.db2.gz PAVMEYZBEZIEEF-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000356599349 457076611 /nfs/dbraw/zinc/07/66/11/457076611.db2.gz PAVMEYZBEZIEEF-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000356599349 457076616 /nfs/dbraw/zinc/07/66/16/457076616.db2.gz PAVMEYZBEZIEEF-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000356603743 457079250 /nfs/dbraw/zinc/07/92/50/457079250.db2.gz SGIXEHUUWGRDEM-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000356603743 457079257 /nfs/dbraw/zinc/07/92/57/457079257.db2.gz SGIXEHUUWGRDEM-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000356603743 457079263 /nfs/dbraw/zinc/07/92/63/457079263.db2.gz SGIXEHUUWGRDEM-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP COCC[N@@H+](C)CCCC1CCN(c2nc3ccccc3n2C)CC1 ZINC000346653283 457093019 /nfs/dbraw/zinc/09/30/19/457093019.db2.gz JMWPETAMDNLVQB-UHFFFAOYSA-N 2 1 344.503 3.148 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)C[C@H]21 ZINC000342076564 457094726 /nfs/dbraw/zinc/09/47/26/457094726.db2.gz AIZTZAJBBLVHOH-NUEKZKHPSA-N 2 1 328.378 3.187 20 0 EGADMP COc1cccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cs2)c1 ZINC000342081640 457097524 /nfs/dbraw/zinc/09/75/24/457097524.db2.gz HJUDIFQFASQVDM-JCGIZDLHSA-N 2 1 343.496 3.378 20 0 EGADMP COc1cccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cs2)c1 ZINC000342081640 457097529 /nfs/dbraw/zinc/09/75/29/457097529.db2.gz HJUDIFQFASQVDM-JCGIZDLHSA-N 2 1 343.496 3.378 20 0 EGADMP [NH3+]CC1CC[NH+](Cc2cccc(Br)c2OC(F)F)CC1 ZINC000346660041 457098439 /nfs/dbraw/zinc/09/84/39/457098439.db2.gz SFFAJXPUGWVYBE-UHFFFAOYSA-N 2 1 349.219 3.221 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(-c2ccnn2C)c1 ZINC000354177192 457112332 /nfs/dbraw/zinc/11/23/32/457112332.db2.gz NVRDPHBCIHIURU-OAQYLSRUSA-N 2 1 338.499 3.313 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(-c2ccnn2C)c1 ZINC000354177192 457112334 /nfs/dbraw/zinc/11/23/34/457112334.db2.gz NVRDPHBCIHIURU-OAQYLSRUSA-N 2 1 338.499 3.313 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(-c2ccnn2C)c1 ZINC000354177192 457112340 /nfs/dbraw/zinc/11/23/40/457112340.db2.gz NVRDPHBCIHIURU-OAQYLSRUSA-N 2 1 338.499 3.313 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342112323 457113775 /nfs/dbraw/zinc/11/37/75/457113775.db2.gz VPHYIQTUXTVTMA-ONIAQPFYSA-N 2 1 329.488 3.196 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342112323 457113780 /nfs/dbraw/zinc/11/37/80/457113780.db2.gz VPHYIQTUXTVTMA-ONIAQPFYSA-N 2 1 329.488 3.196 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3ccc(OC(F)(F)F)cc3)C[C@H]21 ZINC000342140136 457131383 /nfs/dbraw/zinc/13/13/83/457131383.db2.gz NWXWWUDIVMZYQA-DAXOMENPSA-N 2 1 344.377 3.023 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OCCC(C)C ZINC000346842445 457182559 /nfs/dbraw/zinc/18/25/59/457182559.db2.gz HUZLUQIXBFRRHX-KSZLIROESA-N 2 1 332.488 3.289 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000356870454 457188206 /nfs/dbraw/zinc/18/82/06/457188206.db2.gz SQCDDKSAGLLCOT-OXQOHEQNSA-N 2 1 325.456 3.090 20 0 EGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000331639333 457222352 /nfs/dbraw/zinc/22/23/52/457222352.db2.gz IDSCSQYFDSWRDE-QAPCUYQASA-N 2 1 333.451 3.430 20 0 EGADMP CC(C)c1ncc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)s1 ZINC000342416256 457290946 /nfs/dbraw/zinc/29/09/46/457290946.db2.gz LJEIXCFIRBMFKB-UHFFFAOYSA-N 2 1 348.516 3.282 20 0 EGADMP C[C@H](CC[NH2+]Cc1ccnn1-c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000354673498 457308444 /nfs/dbraw/zinc/30/84/44/457308444.db2.gz XVMIHVVSMJPDMV-MRXNPFEDSA-N 2 1 330.451 3.366 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1)CC1CC1 ZINC000357088356 457315562 /nfs/dbraw/zinc/31/55/62/457315562.db2.gz SCAGJQAZGQMWDO-FQEVSTJZSA-N 2 1 343.515 3.047 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1)CC1CC1 ZINC000357088357 457315738 /nfs/dbraw/zinc/31/57/38/457315738.db2.gz SCAGJQAZGQMWDO-HXUWFJFHSA-N 2 1 343.515 3.047 20 0 EGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCCc3ccncc3)CC2)C[C@H](C)O1 ZINC000347302837 457340938 /nfs/dbraw/zinc/34/09/38/457340938.db2.gz PHRQHAWDRSSCLG-KDURUIRLSA-N 2 1 345.531 3.226 20 0 EGADMP CCOc1ncccc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357233939 457390300 /nfs/dbraw/zinc/39/03/00/457390300.db2.gz SFUSPHXXYBXWRZ-PXNSSMCTSA-N 2 1 339.483 3.481 20 0 EGADMP CCOc1ncccc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357233939 457390304 /nfs/dbraw/zinc/39/03/04/457390304.db2.gz SFUSPHXXYBXWRZ-PXNSSMCTSA-N 2 1 339.483 3.481 20 0 EGADMP C[C@H](C[N@H+](C)Cc1ccccc1)Nc1cc[nH+]cc1Br ZINC000390772928 457442097 /nfs/dbraw/zinc/44/20/97/457442097.db2.gz KRZRZCSAILGQKZ-CYBMUJFWSA-N 2 1 334.261 3.198 20 0 EGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cc[nH+]cc1Br ZINC000390772928 457442106 /nfs/dbraw/zinc/44/21/06/457442106.db2.gz KRZRZCSAILGQKZ-CYBMUJFWSA-N 2 1 334.261 3.198 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000391025903 457449431 /nfs/dbraw/zinc/44/94/31/457449431.db2.gz SCEOUAWFISZJFE-ZCNNSNEGSA-N 2 1 330.516 3.428 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000391025903 457449434 /nfs/dbraw/zinc/44/94/34/457449434.db2.gz SCEOUAWFISZJFE-ZCNNSNEGSA-N 2 1 330.516 3.428 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000360946080 457452711 /nfs/dbraw/zinc/45/27/11/457452711.db2.gz HINJAKYIFAUDCV-PMACEKPBSA-N 2 1 345.531 3.379 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000347528874 457488360 /nfs/dbraw/zinc/48/83/60/457488360.db2.gz TWXFXWQLOPRSMT-IAGOWNOFSA-N 2 1 341.499 3.016 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)c2cccc(Oc3ccncc3)c2)CC[N@H+]1C ZINC000357414282 457506854 /nfs/dbraw/zinc/50/68/54/457506854.db2.gz MKTMJWCVEZLBLI-HOCLYGCPSA-N 2 1 325.412 3.086 20 0 EGADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCC(C)(C)[NH3+] ZINC000404515209 457544647 /nfs/dbraw/zinc/54/46/47/457544647.db2.gz SBFITKPFIPGENC-YESZJQIVSA-N 2 1 331.504 3.014 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)s1 ZINC000352733090 457567825 /nfs/dbraw/zinc/56/78/25/457567825.db2.gz QWVINDFEYMHDLX-WBVHZDCISA-N 2 1 349.475 3.354 20 0 EGADMP Cc1ccccc1[C@@H]([C@@H](C)NCc1ncc(C[NH+](C)C)s1)[NH+](C)C ZINC000352737635 457571455 /nfs/dbraw/zinc/57/14/55/457571455.db2.gz KTKXVJJCXOUZNY-DNVCBOLYSA-N 2 1 346.544 3.294 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CCN1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425501489 457578915 /nfs/dbraw/zinc/57/89/15/457578915.db2.gz OKAZOOWNKALFSE-PWRODBHTSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1CCCC[C@@H]1CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425501489 457578922 /nfs/dbraw/zinc/57/89/22/457578922.db2.gz OKAZOOWNKALFSE-PWRODBHTSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1CCCC[C@@H]1CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425501489 457578930 /nfs/dbraw/zinc/57/89/30/457578930.db2.gz OKAZOOWNKALFSE-PWRODBHTSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2SCCc3ccccc32)s1 ZINC000352756881 457585992 /nfs/dbraw/zinc/58/59/92/457585992.db2.gz RSODBJPSAILPOL-MRXNPFEDSA-N 2 1 333.526 3.325 20 0 EGADMP C[NH+](C)CCCOc1cccc(NCc2ncc(C[NH+](C)C)s2)c1 ZINC000352757280 457586343 /nfs/dbraw/zinc/58/63/43/457586343.db2.gz SUGQLDMSWBFPOK-UHFFFAOYSA-N 2 1 348.516 3.147 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000370286953 457609033 /nfs/dbraw/zinc/60/90/33/457609033.db2.gz AHBXJUPBFRCHRQ-HKUYNNGSSA-N 2 1 331.504 3.117 20 0 EGADMP CC(C)C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccs1 ZINC000361184486 457635589 /nfs/dbraw/zinc/63/55/89/457635589.db2.gz QXFVGLWYQXWBKN-HZPDHXFCSA-N 2 1 337.533 3.012 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000410367882 457638961 /nfs/dbraw/zinc/63/89/61/457638961.db2.gz LPMNIGUPHQMYRQ-FQEVSTJZSA-N 2 1 331.548 3.418 20 0 EGADMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cn1 ZINC000370672925 457696966 /nfs/dbraw/zinc/69/69/66/457696966.db2.gz IUNQTZPHOXFCBA-HNAYVOBHSA-N 2 1 344.503 3.173 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H]3CS[C@@H](C(C)C)C3)CC2)nc(C)[nH+]1 ZINC000364846485 457704489 /nfs/dbraw/zinc/70/44/89/457704489.db2.gz HWOLHOJMSZNWAQ-DLBZAZTESA-N 2 1 334.533 3.182 20 0 EGADMP CCn1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)c1=O ZINC000433098303 457756830 /nfs/dbraw/zinc/75/68/30/457756830.db2.gz TWWJDEAZIKWUSI-VQIMIIECSA-N 2 1 331.504 3.001 20 0 EGADMP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000433231959 457786364 /nfs/dbraw/zinc/78/63/64/457786364.db2.gz ZKWFQXMCTCWNDF-HXUWFJFHSA-N 2 1 343.515 3.162 20 0 EGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCCc3nn(C)cc32)CC1 ZINC000366415625 457810779 /nfs/dbraw/zinc/81/07/79/457810779.db2.gz BJEJPAXJCGDVLI-FQEVSTJZSA-N 2 1 338.499 3.360 20 0 EGADMP Cc1nn(-c2ccncc2)cc1CN1CCOc2ccc(F)cc2C1 ZINC000426534646 457851743 /nfs/dbraw/zinc/85/17/43/457851743.db2.gz XBEPNECEKNKWQL-UHFFFAOYSA-N 2 1 338.386 3.109 20 0 EGADMP c1cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)ccc1C[NH+]1CCCCC1 ZINC000411323618 457857243 /nfs/dbraw/zinc/85/72/43/457857243.db2.gz LMLIWQOPPFHYRJ-PMACEKPBSA-N 2 1 346.540 3.379 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000411321821 457858359 /nfs/dbraw/zinc/85/83/59/457858359.db2.gz JBPWLOCAQLPICB-WOJBJXKFSA-N 2 1 346.540 3.379 20 0 EGADMP OC1(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCC1 ZINC000411334798 457859969 /nfs/dbraw/zinc/85/99/69/457859969.db2.gz ZHIANYCGVVQREU-PMACEKPBSA-N 2 1 328.500 3.278 20 0 EGADMP OC1(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000411334798 457859973 /nfs/dbraw/zinc/85/99/73/457859973.db2.gz ZHIANYCGVVQREU-PMACEKPBSA-N 2 1 328.500 3.278 20 0 EGADMP OC1(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000411334798 457859978 /nfs/dbraw/zinc/85/99/78/457859978.db2.gz ZHIANYCGVVQREU-PMACEKPBSA-N 2 1 328.500 3.278 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1)C1CC1 ZINC000444251485 457873190 /nfs/dbraw/zinc/87/31/90/457873190.db2.gz UJQZTWUGMUEFRJ-UHFFFAOYSA-N 2 1 349.478 3.204 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)[C@H](O)C(F)(F)F ZINC000366690950 457887241 /nfs/dbraw/zinc/88/72/41/457887241.db2.gz BGNTUWGNIWRRHJ-HNKHHVNMSA-N 2 1 336.442 3.321 20 0 EGADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H](O)C(F)(F)F ZINC000411441095 457888599 /nfs/dbraw/zinc/88/85/99/457888599.db2.gz UBSWMCHYQGTMMQ-INIZCTEOSA-N 2 1 330.394 3.028 20 0 EGADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H](O)C(F)(F)F ZINC000411441095 457888606 /nfs/dbraw/zinc/88/86/06/457888606.db2.gz UBSWMCHYQGTMMQ-INIZCTEOSA-N 2 1 330.394 3.028 20 0 EGADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H](O)C(F)(F)F ZINC000411441096 457888617 /nfs/dbraw/zinc/88/86/17/457888617.db2.gz UBSWMCHYQGTMMQ-MRXNPFEDSA-N 2 1 330.394 3.028 20 0 EGADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H](O)C(F)(F)F ZINC000411441096 457888620 /nfs/dbraw/zinc/88/86/20/457888620.db2.gz UBSWMCHYQGTMMQ-MRXNPFEDSA-N 2 1 330.394 3.028 20 0 EGADMP CCC[C@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000358252257 457890180 /nfs/dbraw/zinc/89/01/80/457890180.db2.gz LNPHERHEFGRVJK-JKSUJKDBSA-N 2 1 331.287 3.491 20 0 EGADMP CCC[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(Cl)cc1Cl ZINC000358252257 457890188 /nfs/dbraw/zinc/89/01/88/457890188.db2.gz LNPHERHEFGRVJK-JKSUJKDBSA-N 2 1 331.287 3.491 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1OC ZINC000358290987 457914404 /nfs/dbraw/zinc/91/44/04/457914404.db2.gz FLQRBQIQFBNELP-OTWHNJEPSA-N 2 1 332.488 3.114 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCO[C@H]1CCCCO1 ZINC000366982851 457916447 /nfs/dbraw/zinc/91/64/47/457916447.db2.gz PKRKDYIQEWRVIW-GIVPXCGWSA-N 2 1 346.515 3.420 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCO[C@H]1CCCCO1 ZINC000366982851 457916452 /nfs/dbraw/zinc/91/64/52/457916452.db2.gz PKRKDYIQEWRVIW-GIVPXCGWSA-N 2 1 346.515 3.420 20 0 EGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000361876270 457922674 /nfs/dbraw/zinc/92/26/74/457922674.db2.gz DOZLFCDTWAKLOF-VXKWHMMOSA-N 2 1 336.479 3.209 20 0 EGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000361876270 457922682 /nfs/dbraw/zinc/92/26/82/457922682.db2.gz DOZLFCDTWAKLOF-VXKWHMMOSA-N 2 1 336.479 3.209 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000358334596 457940918 /nfs/dbraw/zinc/94/09/18/457940918.db2.gz ZEZJZLZGKAGCNB-CZUORRHYSA-N 2 1 330.394 3.195 20 0 EGADMP COCC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCO[C@H]1C ZINC000411658845 457941804 /nfs/dbraw/zinc/94/18/04/457941804.db2.gz XKTYYIUDJDIWGZ-GHTZIAJQSA-N 2 1 346.515 3.298 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000358449171 458010476 /nfs/dbraw/zinc/01/04/76/458010476.db2.gz SLGAPQPSEWUUDS-GBESFXJTSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000358449171 458010482 /nfs/dbraw/zinc/01/04/82/458010482.db2.gz SLGAPQPSEWUUDS-GBESFXJTSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358449171 458010489 /nfs/dbraw/zinc/01/04/89/458010489.db2.gz SLGAPQPSEWUUDS-GBESFXJTSA-N 2 1 349.563 3.362 20 0 EGADMP Cc1ccc([C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C2CCC2)cc1 ZINC000427694824 458023765 /nfs/dbraw/zinc/02/37/65/458023765.db2.gz DVNHNZOLWFCPCI-VQTJNVASSA-N 2 1 343.515 3.013 20 0 EGADMP Cc1cnn(C)c1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000375738538 458044446 /nfs/dbraw/zinc/04/44/46/458044446.db2.gz PCHQHCQWYRBSID-XUVXKRRUSA-N 2 1 338.499 3.119 20 0 EGADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000445411554 458046010 /nfs/dbraw/zinc/04/60/10/458046010.db2.gz KQGJVHOQWCWOOT-HMFYCAOWSA-N 2 1 341.543 3.194 20 0 EGADMP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000445411556 458046306 /nfs/dbraw/zinc/04/63/06/458046306.db2.gz KQGJVHOQWCWOOT-KGVIQGDOSA-N 2 1 341.543 3.194 20 0 EGADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000358572533 458085571 /nfs/dbraw/zinc/08/55/71/458085571.db2.gz QHLUCGVOSVIHLW-UWHLTILDSA-N 2 1 330.516 3.284 20 0 EGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412120006 458098753 /nfs/dbraw/zinc/09/87/53/458098753.db2.gz YGIJRBMKYCHWOM-LJQANCHMSA-N 2 1 343.515 3.086 20 0 EGADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412127665 458100933 /nfs/dbraw/zinc/10/09/33/458100933.db2.gz QQYPYJVTHHPBCV-HXUWFJFHSA-N 2 1 343.515 3.085 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OCc1ccccc1 ZINC000435369631 458120051 /nfs/dbraw/zinc/12/00/51/458120051.db2.gz FXPSZSDHTCBTQA-QFBILLFUSA-N 2 1 340.467 3.443 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OCc1ccccc1 ZINC000435369631 458120060 /nfs/dbraw/zinc/12/00/60/458120060.db2.gz FXPSZSDHTCBTQA-QFBILLFUSA-N 2 1 340.467 3.443 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000435371570 458122804 /nfs/dbraw/zinc/12/28/04/458122804.db2.gz NOXIIDGECJVHMZ-JKIFEVAISA-N 2 1 338.879 3.067 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000435371570 458122811 /nfs/dbraw/zinc/12/28/11/458122811.db2.gz NOXIIDGECJVHMZ-JKIFEVAISA-N 2 1 338.879 3.067 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000435373862 458124366 /nfs/dbraw/zinc/12/43/66/458124366.db2.gz VVZMTUKFIBHUPY-KPZWWZAWSA-N 2 1 332.879 3.312 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000435373862 458124371 /nfs/dbraw/zinc/12/43/71/458124371.db2.gz VVZMTUKFIBHUPY-KPZWWZAWSA-N 2 1 332.879 3.312 20 0 EGADMP C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435373479 458124655 /nfs/dbraw/zinc/12/46/55/458124655.db2.gz UYANAFFFEMSUJP-UFRUDQCGSA-N 2 1 337.467 3.375 20 0 EGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000435377882 458128184 /nfs/dbraw/zinc/12/81/84/458128184.db2.gz GEPQOCFRIMXJQY-OAHLLOKOSA-N 2 1 343.858 3.373 20 0 EGADMP Cc1nc(COc2ccc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc2)cs1 ZINC000435391777 458135301 /nfs/dbraw/zinc/13/53/01/458135301.db2.gz UGBXKYHTKQBDDO-KFKAGJAMSA-N 2 1 343.496 3.200 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000435394998 458136258 /nfs/dbraw/zinc/13/62/58/458136258.db2.gz NIVYBONDNSEBEN-MRXNPFEDSA-N 2 1 326.488 3.341 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000435394998 458136261 /nfs/dbraw/zinc/13/62/61/458136261.db2.gz NIVYBONDNSEBEN-MRXNPFEDSA-N 2 1 326.488 3.341 20 0 EGADMP CC(C)[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC[N@H+]1C ZINC000412283135 458154674 /nfs/dbraw/zinc/15/46/74/458154674.db2.gz HWVPAOYUQCFJMM-HXUWFJFHSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)F)CC1 ZINC000358722845 458170558 /nfs/dbraw/zinc/17/05/58/458170558.db2.gz KHNITRGLFFVKAN-SJORKVTESA-N 2 1 340.458 3.076 20 0 EGADMP CC[N@@H+](Cc1ccc(-n2nc(C)cc2C)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435612741 458172731 /nfs/dbraw/zinc/17/27/31/458172731.db2.gz HGYLUDNEPRJAEL-LJQANCHMSA-N 2 1 326.488 3.453 20 0 EGADMP Cc1cccc(C)c1C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435692805 458185241 /nfs/dbraw/zinc/18/52/41/458185241.db2.gz KHDCYAQOVAFPBG-IBGZPJMESA-N 2 1 338.499 3.181 20 0 EGADMP Cc1cccc(C)c1C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435692805 458185246 /nfs/dbraw/zinc/18/52/46/458185246.db2.gz KHDCYAQOVAFPBG-IBGZPJMESA-N 2 1 338.499 3.181 20 0 EGADMP c1csc(C[N@H+](CCc2ccccc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435697351 458186780 /nfs/dbraw/zinc/18/67/80/458186780.db2.gz SHEIYPYEHMDGKX-QGZVFWFLSA-N 2 1 327.497 3.330 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000446570063 458197764 /nfs/dbraw/zinc/19/77/64/458197764.db2.gz WBUXIQGOJULBIZ-AEFFLSMTSA-N 2 1 346.519 3.127 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000446570066 458199174 /nfs/dbraw/zinc/19/91/74/458199174.db2.gz WBUXIQGOJULBIZ-WMZOPIPTSA-N 2 1 346.519 3.127 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000362472376 458201786 /nfs/dbraw/zinc/20/17/86/458201786.db2.gz JTJXZLXJDSYVMY-GJYPPUQNSA-N 2 1 329.488 3.197 20 0 EGADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000362472376 458201791 /nfs/dbraw/zinc/20/17/91/458201791.db2.gz JTJXZLXJDSYVMY-GJYPPUQNSA-N 2 1 329.488 3.197 20 0 EGADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000362472376 458201797 /nfs/dbraw/zinc/20/17/97/458201797.db2.gz JTJXZLXJDSYVMY-GJYPPUQNSA-N 2 1 329.488 3.197 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3sccc3Cl)C2)CC1 ZINC000369484198 458232194 /nfs/dbraw/zinc/23/21/94/458232194.db2.gz LVGHVPYCSPYHFY-CQSZACIVSA-N 2 1 327.925 3.002 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3sccc3Cl)C2)CC1 ZINC000369484198 458232202 /nfs/dbraw/zinc/23/22/02/458232202.db2.gz LVGHVPYCSPYHFY-CQSZACIVSA-N 2 1 327.925 3.002 20 0 EGADMP CCn1ccnc1[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000435988398 458232611 /nfs/dbraw/zinc/23/26/11/458232611.db2.gz GMNJOWZVACUJAA-GOSISDBHSA-N 2 1 340.471 3.089 20 0 EGADMP C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372359296 458289741 /nfs/dbraw/zinc/28/97/41/458289741.db2.gz UQFHIFVMPFXRMR-VLCRHTCISA-N 2 1 338.495 3.090 20 0 EGADMP COC(=O)c1coc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000447546743 458309146 /nfs/dbraw/zinc/30/91/46/458309146.db2.gz YMDFJGQKAHTEMR-OWCLPIDISA-N 2 1 336.476 3.475 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000429575751 458347823 /nfs/dbraw/zinc/34/78/23/458347823.db2.gz KZGCNVSABWGUNE-QWFCFKBJSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000429575751 458347826 /nfs/dbraw/zinc/34/78/26/458347826.db2.gz KZGCNVSABWGUNE-QWFCFKBJSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000429621809 458353431 /nfs/dbraw/zinc/35/34/31/458353431.db2.gz VLVAWGVEGXMHNY-IBGZPJMESA-N 2 1 333.520 3.364 20 0 EGADMP Cc1ccnc(C)c1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376676081 458366667 /nfs/dbraw/zinc/36/66/67/458366667.db2.gz ZLKNHIWZDRIYBJ-SFHVURJKSA-N 2 1 338.455 3.342 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC3(CC3)C(=O)O2)CCN1Cc1ccccc1 ZINC000373037466 458382387 /nfs/dbraw/zinc/38/23/87/458382387.db2.gz WSAFMXFISXFSQI-NEWSRXKRSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C[C@@H]2CC3(CC3)C(=O)O2)CC[N@@H+]1Cc1ccccc1 ZINC000373037466 458382390 /nfs/dbraw/zinc/38/23/90/458382390.db2.gz WSAFMXFISXFSQI-NEWSRXKRSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C[C@@H]2CC3(CC3)C(=O)O2)CC[N@H+]1Cc1ccccc1 ZINC000373037466 458382392 /nfs/dbraw/zinc/38/23/92/458382392.db2.gz WSAFMXFISXFSQI-NEWSRXKRSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC3(CC3)C(=O)O2)CC[N@@H+]1Cc1ccccc1 ZINC000373037466 458382397 /nfs/dbraw/zinc/38/23/97/458382397.db2.gz WSAFMXFISXFSQI-NEWSRXKRSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC3(CC3)C(=O)O2)CC[N@H+]1Cc1ccccc1 ZINC000373037466 458382400 /nfs/dbraw/zinc/38/24/00/458382400.db2.gz WSAFMXFISXFSQI-NEWSRXKRSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CC3(CC3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000373037466 458382404 /nfs/dbraw/zinc/38/24/04/458382404.db2.gz WSAFMXFISXFSQI-NEWSRXKRSA-N 2 1 342.483 3.067 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC3(CC3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000373037466 458382406 /nfs/dbraw/zinc/38/24/06/458382406.db2.gz WSAFMXFISXFSQI-NEWSRXKRSA-N 2 1 342.483 3.067 20 0 EGADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448066459 458385766 /nfs/dbraw/zinc/38/57/66/458385766.db2.gz DOSZLKCTBIXHQR-SFHVURJKSA-N 2 1 346.519 3.033 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000376825022 458398232 /nfs/dbraw/zinc/39/82/32/458398232.db2.gz ZXJJOHJDKHJMLQ-PMXSJFBMSA-N 2 1 330.516 3.285 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000423480412 458439646 /nfs/dbraw/zinc/43/96/46/458439646.db2.gz WBVUKDDJZNIZTC-ZSYZGHEHSA-N 3 1 341.543 3.394 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)c2ccccc21 ZINC000423497591 458443342 /nfs/dbraw/zinc/44/33/42/458443342.db2.gz HAEHFPDBFVXVPD-CEXWTWQISA-N 2 1 330.472 3.275 20 0 EGADMP [NH3+]C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1CCCC1 ZINC000423510075 458447741 /nfs/dbraw/zinc/44/77/41/458447741.db2.gz RZFKBUCOAFAUPO-MHTWAQMVSA-N 2 1 327.516 3.004 20 0 EGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459726049 458457986 /nfs/dbraw/zinc/45/79/86/458457986.db2.gz BFFYXRPNHPSEMF-SJLPKXTDSA-N 2 1 334.504 3.346 20 0 EGADMP COc1ccc(Br)cc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459725967 458458621 /nfs/dbraw/zinc/45/86/21/458458621.db2.gz FTXXYEYLTJGLQQ-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP CCOc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc(Cl)c1O ZINC000459729713 458461113 /nfs/dbraw/zinc/46/11/13/458461113.db2.gz DMNOWOICUXCCBX-CYBMUJFWSA-N 2 1 326.868 3.266 20 0 EGADMP COc1sc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000459733107 458462250 /nfs/dbraw/zinc/46/22/50/458462250.db2.gz NEMNPFWSVUCBNN-LLVKDONJSA-N 2 1 347.322 3.341 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430571993 458463746 /nfs/dbraw/zinc/46/37/46/458463746.db2.gz OVRJNMQZSOXARE-WBVHZDCISA-N 2 1 325.456 3.228 20 0 EGADMP COc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000459745902 458466490 /nfs/dbraw/zinc/46/64/90/458466490.db2.gz YTWFMAPBVQVZJU-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000430602230 458469267 /nfs/dbraw/zinc/46/92/67/458469267.db2.gz VVMHHMIVCIELQD-YQQAZPJKSA-N 2 1 345.487 3.304 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000430602230 458469268 /nfs/dbraw/zinc/46/92/68/458469268.db2.gz VVMHHMIVCIELQD-YQQAZPJKSA-N 2 1 345.487 3.304 20 0 EGADMP C[C@H](CCC[NH3+])NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000423696925 458472503 /nfs/dbraw/zinc/47/25/03/458472503.db2.gz YJBNELWMRRTZGD-QGZVFWFLSA-N 2 1 339.483 3.176 20 0 EGADMP CO[C@@H]1CC[NH+]([C@@H](C)CC[N@@H+]2CC[C@@H](OC)C(C)(C)C2)CC1(C)C ZINC000451564640 458481143 /nfs/dbraw/zinc/48/11/43/458481143.db2.gz MBVMQQBZJBZLIV-RCCFBDPRSA-N 2 1 340.552 3.259 20 0 EGADMP CO[C@@H]1CC[NH+](CC[C@H](C)[N@@H+]2CC[C@@H](OC)C(C)(C)C2)CC1(C)C ZINC000451564640 458481149 /nfs/dbraw/zinc/48/11/49/458481149.db2.gz MBVMQQBZJBZLIV-RCCFBDPRSA-N 2 1 340.552 3.259 20 0 EGADMP CO[C@@H]1CC[NH+](CC[C@H](C)[N@H+]2CC[C@@H](OC)C(C)(C)C2)CC1(C)C ZINC000451564640 458481153 /nfs/dbraw/zinc/48/11/53/458481153.db2.gz MBVMQQBZJBZLIV-RCCFBDPRSA-N 2 1 340.552 3.259 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc(F)c2Br)C1 ZINC000459799770 458482311 /nfs/dbraw/zinc/48/23/11/458482311.db2.gz ZEQKMWBQLVKZSC-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2c(F)cccc2Br)C1 ZINC000459800675 458482360 /nfs/dbraw/zinc/48/23/60/458482360.db2.gz ZWRXIKXTHIUGPH-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000437878887 458506720 /nfs/dbraw/zinc/50/67/20/458506720.db2.gz RGNYTRQTSVMUCW-PMACEKPBSA-N 2 1 347.547 3.307 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000437878887 458506724 /nfs/dbraw/zinc/50/67/24/458506724.db2.gz RGNYTRQTSVMUCW-PMACEKPBSA-N 2 1 347.547 3.307 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000437878887 458506729 /nfs/dbraw/zinc/50/67/29/458506729.db2.gz RGNYTRQTSVMUCW-PMACEKPBSA-N 2 1 347.547 3.307 20 0 EGADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H](C)[NH3+] ZINC000423906369 458510347 /nfs/dbraw/zinc/51/03/47/458510347.db2.gz QFQAVKAOQLCBFP-LFGUQSLTSA-N 2 1 345.531 3.023 20 0 EGADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000468396317 458515482 /nfs/dbraw/zinc/51/54/82/458515482.db2.gz VSPPYIWGSYFGGO-QFBILLFUSA-N 2 1 335.923 3.106 20 0 EGADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000468396317 458515486 /nfs/dbraw/zinc/51/54/86/458515486.db2.gz VSPPYIWGSYFGGO-QFBILLFUSA-N 2 1 335.923 3.106 20 0 EGADMP Fc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000377760054 458515622 /nfs/dbraw/zinc/51/56/22/458515622.db2.gz INHNVKJTPBMGDF-ZWKOTPCHSA-N 2 1 325.431 3.175 20 0 EGADMP CCCCNC(=O)[C@H](C)N1CCC(n2c(C)nc3ccccc32)CC1 ZINC000373597217 458547092 /nfs/dbraw/zinc/54/70/92/458547092.db2.gz UGWUMXKQNIAQRU-HNNXBMFYSA-N 2 1 342.487 3.286 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OC[C@H]2CCCO2)[C@@H](C)C1 ZINC000469170000 458558316 /nfs/dbraw/zinc/55/83/16/458558316.db2.gz SFXFBQCBWNIQKV-SXLOBPIMSA-N 2 1 346.515 3.373 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OC[C@H]2CCCO2)[C@@H](C)C1 ZINC000469170000 458558319 /nfs/dbraw/zinc/55/83/19/458558319.db2.gz SFXFBQCBWNIQKV-SXLOBPIMSA-N 2 1 346.515 3.373 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424285171 458603569 /nfs/dbraw/zinc/60/35/69/458603569.db2.gz FKECGLMGBIQFFB-INIZCTEOSA-N 2 1 329.488 3.213 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000469979800 458604160 /nfs/dbraw/zinc/60/41/60/458604160.db2.gz ABCKIQVMSZMCKS-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCn1c2ccc(F)cc2nc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424299825 458609334 /nfs/dbraw/zinc/60/93/34/458609334.db2.gz VXQULTNHGHUOFA-CQSZACIVSA-N 2 1 330.451 3.159 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424300126 458609542 /nfs/dbraw/zinc/60/95/42/458609542.db2.gz JSGCYTIAPCMEGM-LJQANCHMSA-N 3 1 335.511 3.312 20 0 EGADMP CCCC[N@H+](C)CC1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424300126 458609545 /nfs/dbraw/zinc/60/95/45/458609545.db2.gz JSGCYTIAPCMEGM-LJQANCHMSA-N 2 1 335.511 3.312 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424300126 458609546 /nfs/dbraw/zinc/60/95/46/458609546.db2.gz JSGCYTIAPCMEGM-LJQANCHMSA-N 2 1 335.511 3.312 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000424300126 458609549 /nfs/dbraw/zinc/60/95/49/458609549.db2.gz JSGCYTIAPCMEGM-LJQANCHMSA-N 2 1 335.511 3.312 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000424300126 458609552 /nfs/dbraw/zinc/60/95/52/458609552.db2.gz JSGCYTIAPCMEGM-LJQANCHMSA-N 2 1 335.511 3.312 20 0 EGADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCC[NH+](C2CCCC2)CC1 ZINC000431772182 458620960 /nfs/dbraw/zinc/62/09/60/458620960.db2.gz YLRZRDSWXNWHNR-FQEVSTJZSA-N 2 1 347.547 3.260 20 0 EGADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000431772182 458620966 /nfs/dbraw/zinc/62/09/66/458620966.db2.gz YLRZRDSWXNWHNR-FQEVSTJZSA-N 2 1 347.547 3.260 20 0 EGADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000431772182 458620973 /nfs/dbraw/zinc/62/09/73/458620973.db2.gz YLRZRDSWXNWHNR-FQEVSTJZSA-N 2 1 347.547 3.260 20 0 EGADMP CC(C)c1cc(NCCCC[N@H+]2CCC[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000462787560 458654090 /nfs/dbraw/zinc/65/40/90/458654090.db2.gz LHYPFRQTOJNPBV-MRXNPFEDSA-N 2 1 333.524 3.012 20 0 EGADMP CC(C)c1cc(N2CCCC[C@@H]([NH+]3CCCC3)C2)nc(N(C)C)[nH+]1 ZINC000462833287 458658821 /nfs/dbraw/zinc/65/88/21/458658821.db2.gz KNBHPELCOAMJDZ-MRXNPFEDSA-N 2 1 331.508 3.121 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cn(C)nc2C2CCCCC2)CCCO1 ZINC000432343878 458720162 /nfs/dbraw/zinc/72/01/62/458720162.db2.gz AKWUPAHMMAMOLC-KRWDZBQOSA-N 2 1 348.535 3.058 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cn(C)nc2C2CCCCC2)CCCO1 ZINC000432343878 458720168 /nfs/dbraw/zinc/72/01/68/458720168.db2.gz AKWUPAHMMAMOLC-KRWDZBQOSA-N 2 1 348.535 3.058 20 0 EGADMP COc1ccc([C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C(C)C)cc1 ZINC000432421139 458737595 /nfs/dbraw/zinc/73/75/95/458737595.db2.gz NYNOVUWWIAKPCF-YLJYHZDGSA-N 2 1 334.504 3.483 20 0 EGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432438701 458740785 /nfs/dbraw/zinc/74/07/85/458740785.db2.gz BUQNUDRPDSJFDM-YLJYHZDGSA-N 2 1 336.495 3.483 20 0 EGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432438701 458740789 /nfs/dbraw/zinc/74/07/89/458740789.db2.gz BUQNUDRPDSJFDM-YLJYHZDGSA-N 2 1 336.495 3.483 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](C2CCC2)CC1)c1cccc(Cl)c1 ZINC000456687828 458751565 /nfs/dbraw/zinc/75/15/65/458751565.db2.gz XKRAOBNFXBIULF-GOSISDBHSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C/C=C\c3ccncc3)CC2)C[C@H](C)O1 ZINC000494985429 458778298 /nfs/dbraw/zinc/77/82/98/458778298.db2.gz JXZQKRLJQKGFIA-FANKGXDISA-N 2 1 343.515 3.306 20 0 EGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C/C=C/c3ccncc3)CC2)C[C@H](C)O1 ZINC000494985430 458778408 /nfs/dbraw/zinc/77/84/08/458778408.db2.gz JXZQKRLJQKGFIA-HDAKTPJGSA-N 2 1 343.515 3.306 20 0 EGADMP C[NH+](C)CCc1ccccc1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548063668 458830707 /nfs/dbraw/zinc/83/07/07/458830707.db2.gz JIESWENAINBMLH-UHFFFAOYSA-N 2 1 331.504 3.384 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000548064857 458832438 /nfs/dbraw/zinc/83/24/38/458832438.db2.gz JPSZQOMQPLUVFI-FXAWDEMLSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCCCC1 ZINC000548064857 458832445 /nfs/dbraw/zinc/83/24/45/458832445.db2.gz JPSZQOMQPLUVFI-FXAWDEMLSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CCCCC1 ZINC000548064857 458832451 /nfs/dbraw/zinc/83/24/51/458832451.db2.gz JPSZQOMQPLUVFI-FXAWDEMLSA-N 2 1 347.547 3.116 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2nc(-c3ccccc3)no2)C[C@H]1C ZINC000530901691 458842209 /nfs/dbraw/zinc/84/22/09/458842209.db2.gz QJHHTBUXHGNKMV-AEFFLSMTSA-N 2 1 342.487 3.474 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2nc(-c3ccccc3)no2)C[C@H]1C ZINC000530901691 458842215 /nfs/dbraw/zinc/84/22/15/458842215.db2.gz QJHHTBUXHGNKMV-AEFFLSMTSA-N 2 1 342.487 3.474 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2nc(-c3ccccc3)no2)C[C@H]1C ZINC000530901691 458842219 /nfs/dbraw/zinc/84/22/19/458842219.db2.gz QJHHTBUXHGNKMV-AEFFLSMTSA-N 2 1 342.487 3.474 20 0 EGADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000495514349 458872002 /nfs/dbraw/zinc/87/20/02/458872002.db2.gz YRANGGPMLICYIK-KRWDZBQOSA-N 2 1 339.524 3.099 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000519529872 458957361 /nfs/dbraw/zinc/95/73/61/458957361.db2.gz YHGCMLDZXHPUKI-WBVHZDCISA-N 2 1 344.503 3.181 20 0 EGADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000531689155 458961759 /nfs/dbraw/zinc/96/17/59/458961759.db2.gz FYOLCIXHZAIPJZ-SGMGOOAPSA-N 2 1 328.403 3.115 20 0 EGADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000531689155 458961764 /nfs/dbraw/zinc/96/17/64/458961764.db2.gz FYOLCIXHZAIPJZ-SGMGOOAPSA-N 2 1 328.403 3.115 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C(C)(C)C)cc1 ZINC000467867377 458990423 /nfs/dbraw/zinc/99/04/23/458990423.db2.gz OIWGSMYQGSFTLX-WMZOPIPTSA-N 2 1 345.531 3.222 20 0 EGADMP C[N@@H+](CCCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000566736701 458991799 /nfs/dbraw/zinc/99/17/99/458991799.db2.gz KMNOZCNEYGDBHP-LJQANCHMSA-N 2 1 345.531 3.483 20 0 EGADMP C[NH+]1CCN([C@H](C[NH2+]C2CCC3(CC3)CC2)c2cccs2)CC1 ZINC000577325585 459016392 /nfs/dbraw/zinc/01/63/92/459016392.db2.gz BZOFMHRDBDRIKQ-QGZVFWFLSA-N 2 1 333.545 3.349 20 0 EGADMP CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476975109 459023820 /nfs/dbraw/zinc/02/38/20/459023820.db2.gz QVBBMOHOJRRDOM-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000577373696 459023922 /nfs/dbraw/zinc/02/39/22/459023922.db2.gz YBRHFDSOMQULAF-IAGOWNOFSA-N 2 1 325.456 3.065 20 0 EGADMP Oc1cccnc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000556883458 459027200 /nfs/dbraw/zinc/02/72/00/459027200.db2.gz JYVBNNMWEOIFEC-UHFFFAOYSA-N 2 1 337.467 3.275 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000556915695 459032961 /nfs/dbraw/zinc/03/29/61/459032961.db2.gz SKQUOBUVFVEDJI-GUYCJALGSA-N 2 1 326.431 3.442 20 0 EGADMP CC(C)[C@H]1C[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2ccccc21 ZINC000442875964 459050296 /nfs/dbraw/zinc/05/02/96/459050296.db2.gz QAMFOMRUSCZZPJ-UXHICEINSA-N 2 1 329.532 3.487 20 0 EGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442878127 459050708 /nfs/dbraw/zinc/05/07/08/459050708.db2.gz SHLZPSLHFOHJSE-IBGZPJMESA-N 2 1 335.511 3.008 20 0 EGADMP CCOc1c(Cl)cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000442917332 459060133 /nfs/dbraw/zinc/06/01/33/459060133.db2.gz AFOALFLUDWUVRD-CYBMUJFWSA-N 2 1 326.868 3.308 20 0 EGADMP CCS[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594495975 459060267 /nfs/dbraw/zinc/06/02/67/459060267.db2.gz GCXZBPHWWZBWCI-KZNAEPCWSA-N 2 1 326.550 3.284 20 0 EGADMP CC[C@H]1CCCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC000567247829 459074285 /nfs/dbraw/zinc/07/42/85/459074285.db2.gz SGSWBGPSNQCMON-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000443060880 459081530 /nfs/dbraw/zinc/08/15/30/459081530.db2.gz PXZGVPDLBMEEPU-QGZVFWFLSA-N 2 1 337.467 3.500 20 0 EGADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cs2)c1 ZINC000443065048 459083347 /nfs/dbraw/zinc/08/33/47/459083347.db2.gz ZHZDWPGIUJOUOV-CQSZACIVSA-N 2 1 331.485 3.380 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000479524310 459145122 /nfs/dbraw/zinc/14/51/22/459145122.db2.gz HAALOGXQMSGGSE-CZUORRHYSA-N 2 1 330.394 3.100 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](CCc2cccc(C)n2)CC1 ZINC000567781300 459167986 /nfs/dbraw/zinc/16/79/86/459167986.db2.gz BDGRWEGDOYBCMV-UHFFFAOYSA-N 2 1 333.520 3.003 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000496374369 459170287 /nfs/dbraw/zinc/17/02/87/459170287.db2.gz CTEWXBYWVAEWPD-GTPINHCMSA-N 2 1 339.524 3.144 20 0 EGADMP CC[C@H](CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)[N@H+]1CCc2ccccc2C1 ZINC000480378842 459195646 /nfs/dbraw/zinc/19/56/46/459195646.db2.gz OQPCTWDAWKCCEN-VQIMIIECSA-N 2 1 345.531 3.106 20 0 EGADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)Nc1cccc2ccccc21 ZINC000521988177 459199650 /nfs/dbraw/zinc/19/96/50/459199650.db2.gz XJLOMXWRTKZRQL-SXGZJXTBSA-N 2 1 325.456 3.145 20 0 EGADMP CCN(C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC000590786481 459219579 /nfs/dbraw/zinc/21/95/79/459219579.db2.gz CDZGTSJMSQOREL-UHFFFAOYSA-N 2 1 331.504 3.092 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000496537082 459231810 /nfs/dbraw/zinc/23/18/10/459231810.db2.gz CNTUCDVRRMUPCK-SJORKVTESA-N 2 1 341.540 3.057 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000496537082 459231817 /nfs/dbraw/zinc/23/18/17/459231817.db2.gz CNTUCDVRRMUPCK-SJORKVTESA-N 2 1 341.540 3.057 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000496537082 459231821 /nfs/dbraw/zinc/23/18/21/459231821.db2.gz CNTUCDVRRMUPCK-SJORKVTESA-N 2 1 341.540 3.057 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)N(C)c2ccccc2)CC1 ZINC000533538427 459250624 /nfs/dbraw/zinc/25/06/24/459250624.db2.gz PAGIVWTZTOMQFF-UHFFFAOYSA-N 2 1 331.504 3.092 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000481726488 459271517 /nfs/dbraw/zinc/27/15/17/459271517.db2.gz MYYRUACHGMNEAQ-WIYYLYMNSA-N 3 1 329.532 3.492 20 0 EGADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000481726488 459271519 /nfs/dbraw/zinc/27/15/19/459271519.db2.gz MYYRUACHGMNEAQ-WIYYLYMNSA-N 2 1 329.532 3.492 20 0 EGADMP CC(C)c1nnc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)[nH]1 ZINC000559790519 459276979 /nfs/dbraw/zinc/27/69/79/459276979.db2.gz YBTBYSPCACTGGY-BHYGNILZSA-N 2 1 327.476 3.414 20 0 EGADMP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000559842555 459280077 /nfs/dbraw/zinc/28/00/77/459280077.db2.gz JZFQKJPWJYDNLL-BDTNDASRSA-N 2 1 338.495 3.324 20 0 EGADMP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000559842555 459280081 /nfs/dbraw/zinc/28/00/81/459280081.db2.gz JZFQKJPWJYDNLL-BDTNDASRSA-N 2 1 338.495 3.324 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC000496752570 459312003 /nfs/dbraw/zinc/31/20/03/459312003.db2.gz LGDCBZXBBURLDV-ROUUACIJSA-N 2 1 347.503 3.326 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC000496752570 459312010 /nfs/dbraw/zinc/31/20/10/459312010.db2.gz LGDCBZXBBURLDV-ROUUACIJSA-N 2 1 347.503 3.326 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC000496771339 459317342 /nfs/dbraw/zinc/31/73/42/459317342.db2.gz JTHICFIUMVDQEF-JKSUJKDBSA-N 2 1 327.513 3.048 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(C)cc2)[C@H](C)C1 ZINC000483619286 459377493 /nfs/dbraw/zinc/37/74/93/459377493.db2.gz GZWZCBQAJFRWQM-DYXWJJEUSA-N 2 1 348.531 3.489 20 0 EGADMP CC(C)[NH+]1CCN(c2cccc(N[C@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)c2)CC1 ZINC000540748558 459384641 /nfs/dbraw/zinc/38/46/41/459384641.db2.gz QFAGRXCBUGFYFW-LQWHRVPQSA-N 2 1 344.547 3.358 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)Oc1cccc(Br)c1 ZINC000483817235 459395136 /nfs/dbraw/zinc/39/51/36/459395136.db2.gz KGWBGGLSWJHZBS-XJKCOSOUSA-N 2 1 341.293 3.146 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000484139773 459407408 /nfs/dbraw/zinc/40/74/08/459407408.db2.gz FXWMPLCUJXFKOS-CZUORRHYSA-N 2 1 337.305 3.411 20 0 EGADMP CCN1CC[NH+](CCCC[NH2+][C@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000569411474 459446363 /nfs/dbraw/zinc/44/63/63/459446363.db2.gz JVAWTBJVKLHHPF-FQEVSTJZSA-N 2 1 333.520 3.437 20 0 EGADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000561976701 459498660 /nfs/dbraw/zinc/49/86/60/459498660.db2.gz QBDZOVWPTOFETK-ROUUACIJSA-N 2 1 334.504 3.345 20 0 EGADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541904558 459509251 /nfs/dbraw/zinc/50/92/51/459509251.db2.gz ROLGYZFQQDINPX-PSWRPDDJSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CC[NH+](CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541904558 459509258 /nfs/dbraw/zinc/50/92/58/459509258.db2.gz ROLGYZFQQDINPX-PSWRPDDJSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CC[NH+](CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541904558 459509263 /nfs/dbraw/zinc/50/92/63/459509263.db2.gz ROLGYZFQQDINPX-PSWRPDDJSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541904558 459509264 /nfs/dbraw/zinc/50/92/64/459509264.db2.gz ROLGYZFQQDINPX-PSWRPDDJSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541904558 459509267 /nfs/dbraw/zinc/50/92/67/459509267.db2.gz ROLGYZFQQDINPX-PSWRPDDJSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000541904557 459509491 /nfs/dbraw/zinc/50/94/91/459509491.db2.gz ROLGYZFQQDINPX-FVTFTPSCSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CC[NH+](CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000541904557 459509497 /nfs/dbraw/zinc/50/94/97/459509497.db2.gz ROLGYZFQQDINPX-FVTFTPSCSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CC[NH+](CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000541904557 459509502 /nfs/dbraw/zinc/50/95/02/459509502.db2.gz ROLGYZFQQDINPX-FVTFTPSCSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000541904557 459509508 /nfs/dbraw/zinc/50/95/08/459509508.db2.gz ROLGYZFQQDINPX-FVTFTPSCSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000541904557 459509514 /nfs/dbraw/zinc/50/95/14/459509514.db2.gz ROLGYZFQQDINPX-FVTFTPSCSA-N 2 1 341.543 3.219 20 0 EGADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000569803324 459512438 /nfs/dbraw/zinc/51/24/38/459512438.db2.gz NCYBWFCWNQBQIG-WOJBJXKFSA-N 2 1 348.531 3.287 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000562239391 459521097 /nfs/dbraw/zinc/52/10/97/459521097.db2.gz QPLDETJVQUXHTQ-MJGOQNOKSA-N 2 1 348.535 3.017 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000562239390 459521538 /nfs/dbraw/zinc/52/15/38/459521538.db2.gz QPLDETJVQUXHTQ-IEBWSBKVSA-N 2 1 348.535 3.017 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)Cn1cccn1 ZINC000562283933 459529985 /nfs/dbraw/zinc/52/99/85/459529985.db2.gz ZUHQSNMXORIOLY-GGPKGHCWSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)Cn1cccn1 ZINC000562283933 459529989 /nfs/dbraw/zinc/52/99/89/459529989.db2.gz ZUHQSNMXORIOLY-GGPKGHCWSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)Cn1cccn1 ZINC000562283934 459530144 /nfs/dbraw/zinc/53/01/44/459530144.db2.gz ZUHQSNMXORIOLY-HBFSDRIKSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)Cn1cccn1 ZINC000562283934 459530148 /nfs/dbraw/zinc/53/01/48/459530148.db2.gz ZUHQSNMXORIOLY-HBFSDRIKSA-N 2 1 326.488 3.162 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000584048159 459640681 /nfs/dbraw/zinc/64/06/81/459640681.db2.gz FPYMYSISGYMBOP-IIBYNOLFSA-N 2 1 337.467 3.174 20 0 EGADMP Fc1ccccc1COc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000573206808 459643040 /nfs/dbraw/zinc/64/30/40/459643040.db2.gz OOWOIJCUTYSDMH-PKOBYXMFSA-N 2 1 340.442 3.446 20 0 EGADMP Fc1ccccc1COc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000573206808 459643046 /nfs/dbraw/zinc/64/30/46/459643046.db2.gz OOWOIJCUTYSDMH-PKOBYXMFSA-N 2 1 340.442 3.446 20 0 EGADMP Fc1cccc(-c2noc([C@H]3CCC[N@@H+](CC[C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000562836219 459657858 /nfs/dbraw/zinc/65/78/58/459657858.db2.gz XKVPSBBJGWRAEX-ZBFHGGJFSA-N 2 1 344.434 3.055 20 0 EGADMP Brc1c[nH+]ccc1NC1CC[NH+](CC2CCCC2)CC1 ZINC000562866680 459662546 /nfs/dbraw/zinc/66/25/46/459662546.db2.gz NCZSXADWOQHMIM-UHFFFAOYSA-N 2 1 338.293 3.333 20 0 EGADMP C[C@H]1C[C@H](C[N@H+]2CCc3ccc(F)c(Br)c3C2)CC[NH2+]1 ZINC000527617431 459670488 /nfs/dbraw/zinc/67/04/88/459670488.db2.gz KZUYDPAZDUTRQX-NWDGAFQWSA-N 2 1 341.268 3.334 20 0 EGADMP COc1ccc(C[C@H]2CCC[N@@H+](CCCc3cncn3C)C2)cc1 ZINC000584239919 459688792 /nfs/dbraw/zinc/68/87/92/459688792.db2.gz QKOOXWHMLSJKSB-GOSISDBHSA-N 2 1 327.472 3.316 20 0 EGADMP COc1ccc(C[C@H]2CCC[N@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000584239919 459688796 /nfs/dbraw/zinc/68/87/96/459688796.db2.gz QKOOXWHMLSJKSB-GOSISDBHSA-N 2 1 327.472 3.316 20 0 EGADMP COc1ccc(C[C@H]2CCC[N@@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000584239919 459688803 /nfs/dbraw/zinc/68/88/03/459688803.db2.gz QKOOXWHMLSJKSB-GOSISDBHSA-N 2 1 327.472 3.316 20 0 EGADMP Cc1cc(N2CCC([NH2+]Cc3ccc4cc[nH]c4c3)CC2)nc(C)[nH+]1 ZINC000527670274 459693258 /nfs/dbraw/zinc/69/32/58/459693258.db2.gz NBKCCGOSSCYUEG-UHFFFAOYSA-N 2 1 335.455 3.333 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000543773872 459698712 /nfs/dbraw/zinc/69/87/12/459698712.db2.gz OLEUBJLZFVWEEF-APWZRJJASA-N 2 1 340.458 3.344 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000563036068 459701970 /nfs/dbraw/zinc/70/19/70/459701970.db2.gz ALIQCGSOYNRQTA-WMZOPIPTSA-N 2 1 331.504 3.093 20 0 EGADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(I)cc1 ZINC000596647773 459713300 /nfs/dbraw/zinc/71/33/00/459713300.db2.gz BHDYDXQZYGRWGC-LLVKDONJSA-N 2 1 344.240 3.213 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCCCC[NH2+]3)cc2)C1 ZINC000573805820 459739447 /nfs/dbraw/zinc/73/94/47/459739447.db2.gz QDNPDRSKAQYPNZ-XLIONFOSSA-N 2 1 343.515 3.067 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)[C@@H](C)C1 ZINC000544357269 459751589 /nfs/dbraw/zinc/75/15/89/459751589.db2.gz IUZGOUOITFHIJZ-GZSKETOLSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)[C@@H](C)C1 ZINC000544357269 459751594 /nfs/dbraw/zinc/75/15/94/459751594.db2.gz IUZGOUOITFHIJZ-GZSKETOLSA-N 2 1 330.516 3.284 20 0 EGADMP c1cc(C[NH+]2CCC(NC[C@@H]3CC[N@@H+]3C3CCCCC3)CC2)ccn1 ZINC000527945349 459778357 /nfs/dbraw/zinc/77/83/57/459778357.db2.gz GEFMAIDQHBTZGK-NRFANRHFSA-N 2 1 342.531 3.043 20 0 EGADMP c1cc(C[NH+]2CCC(NC[C@@H]3CC[N@H+]3C3CCCCC3)CC2)ccn1 ZINC000527945349 459778361 /nfs/dbraw/zinc/77/83/61/459778361.db2.gz GEFMAIDQHBTZGK-NRFANRHFSA-N 2 1 342.531 3.043 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC45CC(C4)CO5)[C@@H]3C2)cc1 ZINC000527981961 459787313 /nfs/dbraw/zinc/78/73/13/459787313.db2.gz PGCGGHWXKSKUPJ-VGWAXFIOSA-N 2 1 326.484 3.056 20 0 EGADMP CC(=O)c1cc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)on1 ZINC000566416817 459861360 /nfs/dbraw/zinc/86/13/60/459861360.db2.gz PGINXQAJGPCWFG-UHFFFAOYSA-N 2 1 342.443 3.011 20 0 EGADMP CC(=O)c1cc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)on1 ZINC000566416817 459861365 /nfs/dbraw/zinc/86/13/65/459861365.db2.gz PGINXQAJGPCWFG-UHFFFAOYSA-N 2 1 342.443 3.011 20 0 EGADMP CCCc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)s1 ZINC000598672955 459985973 /nfs/dbraw/zinc/98/59/73/459985973.db2.gz MKAMNFMSJGAFNX-KRWDZBQOSA-N 2 1 335.561 3.301 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c2ccccc21 ZINC000621751468 460047323 /nfs/dbraw/zinc/04/73/23/460047323.db2.gz HGETUZKGQYDEOH-MJGOQNOKSA-N 2 1 329.488 3.194 20 0 EGADMP CCn1cc(CC[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000621775545 460059398 /nfs/dbraw/zinc/05/93/98/460059398.db2.gz RFBYMTFPTSTPQN-SFTDATJTSA-N 2 1 340.515 3.118 20 0 EGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000622394612 460257844 /nfs/dbraw/zinc/25/78/44/460257844.db2.gz ORSSWWUBFCOUQZ-MJGOQNOKSA-N 2 1 335.536 3.116 20 0 EGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622394612 460257847 /nfs/dbraw/zinc/25/78/47/460257847.db2.gz ORSSWWUBFCOUQZ-MJGOQNOKSA-N 2 1 335.536 3.116 20 0 EGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000622394612 460257849 /nfs/dbraw/zinc/25/78/49/460257849.db2.gz ORSSWWUBFCOUQZ-MJGOQNOKSA-N 2 1 335.536 3.116 20 0 EGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000611438979 460365538 /nfs/dbraw/zinc/36/55/38/460365538.db2.gz BZOZQKJFZVNFMI-ZWKOTPCHSA-N 2 1 330.472 3.358 20 0 EGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000611438979 460365541 /nfs/dbraw/zinc/36/55/41/460365541.db2.gz BZOZQKJFZVNFMI-ZWKOTPCHSA-N 2 1 330.472 3.358 20 0 EGADMP C[NH+]1CCN(C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000623015121 460383836 /nfs/dbraw/zinc/38/38/36/460383836.db2.gz GFFOBPYUSSFPJS-NRFANRHFSA-N 2 1 329.532 3.172 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ncccc32)[C@H](C)C1 ZINC000631580154 460455566 /nfs/dbraw/zinc/45/55/66/460455566.db2.gz DIGBCTWWXLPSRD-KPFFTGBYSA-N 2 1 331.504 3.186 20 0 EGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCCc3ncccc32)c1 ZINC000631587541 460459412 /nfs/dbraw/zinc/45/94/12/460459412.db2.gz SYUXYTCEZKVNKB-OAQYLSRUSA-N 2 1 337.467 3.081 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cccc3ncccc23)C1 ZINC000634688450 460477417 /nfs/dbraw/zinc/47/74/17/460477417.db2.gz SSNLOVUGYSQKHO-AHRSYUTCSA-N 2 1 325.456 3.096 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000631666085 460499909 /nfs/dbraw/zinc/49/99/09/460499909.db2.gz ZUGPANOOWPIWQN-IMFGXOCKSA-N 2 1 338.499 3.155 20 0 EGADMP CCC[NH+]1CCC(NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631668118 460502222 /nfs/dbraw/zinc/50/22/22/460502222.db2.gz VSNBRNMXHKLFOE-ICSRJNTNSA-N 2 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631668118 460502226 /nfs/dbraw/zinc/50/22/26/460502226.db2.gz VSNBRNMXHKLFOE-ICSRJNTNSA-N 3 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631668118 460502234 /nfs/dbraw/zinc/50/22/34/460502234.db2.gz VSNBRNMXHKLFOE-ICSRJNTNSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617351304 460826274 /nfs/dbraw/zinc/82/62/74/460826274.db2.gz IMPAZOWLEJVRCE-ROUUACIJSA-N 2 1 331.504 3.059 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)c1ccc2ccccc2c1)C1CC1 ZINC000629612017 460829305 /nfs/dbraw/zinc/82/93/05/460829305.db2.gz ORNFQYSUTKWBCL-FQEVSTJZSA-N 2 1 326.484 3.162 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)c1ccc2ccccc2c1)C1CC1 ZINC000629612017 460829308 /nfs/dbraw/zinc/82/93/08/460829308.db2.gz ORNFQYSUTKWBCL-FQEVSTJZSA-N 2 1 326.484 3.162 20 0 EGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1C ZINC000624119673 460868267 /nfs/dbraw/zinc/86/82/67/460868267.db2.gz GVHOZSITUICRGH-FUHWJXTLSA-N 2 1 331.504 3.342 20 0 EGADMP O=C([C@@H]1CC[N@H+]1C1CCCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000635722652 460897974 /nfs/dbraw/zinc/89/79/74/460897974.db2.gz CGCUOLDDBWDDJQ-FQEVSTJZSA-N 2 1 347.547 3.118 20 0 EGADMP CCOc1cncc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000621343648 460998199 /nfs/dbraw/zinc/99/81/99/460998199.db2.gz MFLRFHCUNMKJCC-FXAWDEMLSA-N 2 1 339.483 3.481 20 0 EGADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2 ZINC000635984866 460998568 /nfs/dbraw/zinc/99/85/68/460998568.db2.gz BABAIRWSSRFBSD-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1nc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)[nH]c1C ZINC000628238083 461058523 /nfs/dbraw/zinc/05/85/23/461058523.db2.gz KQTWXQQNVMLUPI-UHFFFAOYSA-N 2 1 327.476 3.160 20 0 EGADMP Cc1nc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)[nH]c1C ZINC000628238083 461058527 /nfs/dbraw/zinc/05/85/27/461058527.db2.gz KQTWXQQNVMLUPI-UHFFFAOYSA-N 2 1 327.476 3.160 20 0 EGADMP Cc1ccc([C@@H](C)C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000628278838 461069708 /nfs/dbraw/zinc/06/97/08/461069708.db2.gz JRMDRSXIPZGVDY-GHTZIAJQSA-N 2 1 329.532 3.199 20 0 EGADMP CC(C)(C)c1csc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)n1 ZINC000652349369 461142554 /nfs/dbraw/zinc/14/25/54/461142554.db2.gz MDPCIFWWPKFVMG-SOUVJXGZSA-N 2 1 337.533 3.159 20 0 EGADMP c1ccc(CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@H]2CCOC2)cc1 ZINC000662257131 461147033 /nfs/dbraw/zinc/14/70/33/461147033.db2.gz ASSLAASNXDGNQA-NRFANRHFSA-N 2 1 336.479 3.166 20 0 EGADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000652354664 461148865 /nfs/dbraw/zinc/14/88/65/461148865.db2.gz DPTFRUPDPHVYQC-VQIMIIECSA-N 2 1 331.504 3.022 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000668169745 461154140 /nfs/dbraw/zinc/15/41/40/461154140.db2.gz YTFOJPQHLNBQNZ-XLIONFOSSA-N 2 1 346.515 3.264 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)on2)cc1 ZINC000662284870 461166483 /nfs/dbraw/zinc/16/64/83/461166483.db2.gz ZTSKUMLVPCCWOB-DZKIICNBSA-N 2 1 329.444 3.155 20 0 EGADMP c1cc(-c2noc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cs1 ZINC000662297854 461175042 /nfs/dbraw/zinc/17/50/42/461175042.db2.gz SLJNOMANXJTMET-CQSZACIVSA-N 2 1 332.473 3.010 20 0 EGADMP Cc1ccccc1-c1noc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662297791 461176681 /nfs/dbraw/zinc/17/66/81/461176681.db2.gz RTKJMIKXJKYPLI-KRWDZBQOSA-N 2 1 340.471 3.257 20 0 EGADMP CC(C)CO[C@H](C)c1noc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000662312984 461184114 /nfs/dbraw/zinc/18/41/14/461184114.db2.gz IXEHWARIAPOFNO-BZUAXINKSA-N 2 1 338.496 3.143 20 0 EGADMP CC(C)N(C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])c1ccccc1 ZINC000662313374 461186093 /nfs/dbraw/zinc/18/60/93/461186093.db2.gz LIMKDUDHIFKSFF-IEBWSBKVSA-N 2 1 331.504 3.267 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315473 461187678 /nfs/dbraw/zinc/18/76/78/461187678.db2.gz SYTGQLSDQIYTAK-RDTXWAMCSA-N 2 1 335.467 3.302 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC000638023631 461203489 /nfs/dbraw/zinc/20/34/89/461203489.db2.gz YOUVSXLLRZMDTL-UHFFFAOYSA-N 2 1 325.456 3.131 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1)C(C)C ZINC000646481542 461289839 /nfs/dbraw/zinc/28/98/39/461289839.db2.gz OOOTXJOUJKDYGN-APWZRJJASA-N 2 1 331.504 3.082 20 0 EGADMP CSc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)o1 ZINC000641747993 461347954 /nfs/dbraw/zinc/34/79/54/461347954.db2.gz RHQRXYUQFPELES-KRWDZBQOSA-N 2 1 346.496 3.248 20 0 EGADMP CSc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)o1 ZINC000641747993 461347958 /nfs/dbraw/zinc/34/79/58/461347958.db2.gz RHQRXYUQFPELES-KRWDZBQOSA-N 2 1 346.496 3.248 20 0 EGADMP Clc1ccc(SCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655682456 461359983 /nfs/dbraw/zinc/35/99/83/461359983.db2.gz GHMNSDCJJDIZQB-INIZCTEOSA-N 2 1 340.920 3.275 20 0 EGADMP CCN(CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1C ZINC000655691540 461365613 /nfs/dbraw/zinc/36/56/13/461365613.db2.gz UNKUIQZXBWRABK-FQEVSTJZSA-N 2 1 345.531 3.054 20 0 EGADMP C[C@@H](OCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655698792 461369562 /nfs/dbraw/zinc/36/95/62/461369562.db2.gz VWKPNTHNAZHPTA-NQIIRXRSSA-N 2 1 346.515 3.387 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]CCCn1cc[nH+]c1C ZINC000655711339 461380827 /nfs/dbraw/zinc/38/08/27/461380827.db2.gz HTTGEPZWWRDGNS-UHFFFAOYSA-N 2 1 327.407 3.005 20 0 EGADMP O=C(CCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)NC1CC1 ZINC000638367553 461391129 /nfs/dbraw/zinc/39/11/29/461391129.db2.gz WTLPZNFECGKVCV-AZUAARDMSA-N 2 1 341.499 3.003 20 0 EGADMP O=C(CCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)NC1CC1 ZINC000638367553 461391133 /nfs/dbraw/zinc/39/11/33/461391133.db2.gz WTLPZNFECGKVCV-AZUAARDMSA-N 2 1 341.499 3.003 20 0 EGADMP Clc1cccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)c1 ZINC000655726732 461394965 /nfs/dbraw/zinc/39/49/65/461394965.db2.gz OZXUETKJTXZQEK-SFHVURJKSA-N 2 1 334.891 3.215 20 0 EGADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638383387 461399707 /nfs/dbraw/zinc/39/97/07/461399707.db2.gz FQRVSFZIVBTEJR-HQRMLTQVSA-N 2 1 343.515 3.249 20 0 EGADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638383387 461399710 /nfs/dbraw/zinc/39/97/10/461399710.db2.gz FQRVSFZIVBTEJR-HQRMLTQVSA-N 2 1 343.515 3.249 20 0 EGADMP C[C@@]1([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCc2ccccc21 ZINC000655742306 461410752 /nfs/dbraw/zinc/41/07/52/461410752.db2.gz HUZFZPTVYNNORH-PZJWPPBQSA-N 2 1 328.500 3.471 20 0 EGADMP CCOc1ccc(C[C@@H](C)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655775316 461437682 /nfs/dbraw/zinc/43/76/82/461437682.db2.gz WBEICAANUFAIJW-YLJYHZDGSA-N 2 1 346.515 3.107 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000655780574 461442459 /nfs/dbraw/zinc/44/24/59/461442459.db2.gz WEUZKNRNQQLZJA-MRXNPFEDSA-N 2 1 330.451 3.141 20 0 EGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000655780476 461443735 /nfs/dbraw/zinc/44/37/35/461443735.db2.gz NRHVWBTVUHQZOQ-GOSISDBHSA-N 2 1 326.488 3.311 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666088526 461450341 /nfs/dbraw/zinc/45/03/41/461450341.db2.gz GOTCZYJURHWRKF-GOSISDBHSA-N 2 1 349.950 3.061 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000659875860 461474767 /nfs/dbraw/zinc/47/47/67/461474767.db2.gz QNBYXTWNUNMTGC-HXUWFJFHSA-N 2 1 346.515 3.067 20 0 EGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000659875860 461474781 /nfs/dbraw/zinc/47/47/81/461474781.db2.gz QNBYXTWNUNMTGC-HXUWFJFHSA-N 2 1 346.515 3.067 20 0 EGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000659875860 461474791 /nfs/dbraw/zinc/47/47/91/461474791.db2.gz QNBYXTWNUNMTGC-HXUWFJFHSA-N 2 1 346.515 3.067 20 0 EGADMP CC(C)O[C@H](C[NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000638563703 461486868 /nfs/dbraw/zinc/48/68/68/461486868.db2.gz BLCLGQCOCXOVQH-OAQYLSRUSA-N 2 1 347.547 3.016 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]CC3)cc2)C1 ZINC000653108176 461504453 /nfs/dbraw/zinc/50/44/53/461504453.db2.gz LSWHXTCYXSTJKA-SJLPKXTDSA-N 2 1 329.488 3.247 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000653109143 461504772 /nfs/dbraw/zinc/50/47/72/461504772.db2.gz WCEYVDFUESCXCY-FXAWDEMLSA-N 2 1 343.515 3.067 20 0 EGADMP c1[nH]nc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000638665024 461521374 /nfs/dbraw/zinc/52/13/74/461521374.db2.gz XZOXKPIZDHIHIN-OPYAIIAOSA-N 2 1 336.483 3.225 20 0 EGADMP c1[nH]nc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000638665024 461521384 /nfs/dbraw/zinc/52/13/84/461521384.db2.gz XZOXKPIZDHIHIN-OPYAIIAOSA-N 2 1 336.483 3.225 20 0 EGADMP Fc1cccc(C[N@H+]2CCC[C@H](c3nc([C@H]4CCC[NH2+]4)no3)C2)c1 ZINC000647151797 461528941 /nfs/dbraw/zinc/52/89/41/461528941.db2.gz PLICPGSXWPLXSS-GOEBONIOSA-N 2 1 330.407 3.013 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000659983213 461529362 /nfs/dbraw/zinc/52/93/62/461529362.db2.gz GZNLNKFLJOIMSY-GOSISDBHSA-N 2 1 347.528 3.296 20 0 EGADMP OCCCCOc1ccccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000638733507 461554855 /nfs/dbraw/zinc/55/48/55/461554855.db2.gz HGJPUJDTKGRJEG-UHFFFAOYSA-N 2 1 346.515 3.335 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000653201002 461555404 /nfs/dbraw/zinc/55/54/04/461555404.db2.gz WVQBUCQXOKILIE-FXAWDEMLSA-N 2 1 345.531 3.483 20 0 EGADMP C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642713076 461559469 /nfs/dbraw/zinc/55/94/69/461559469.db2.gz GPQQXKCRPBWRSQ-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP OC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638760336 461565033 /nfs/dbraw/zinc/56/50/33/461565033.db2.gz OMIZYFYZWYJGFZ-XLBJILASSA-N 2 1 328.500 3.495 20 0 EGADMP OC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638760336 461565041 /nfs/dbraw/zinc/56/50/41/461565041.db2.gz OMIZYFYZWYJGFZ-XLBJILASSA-N 2 1 328.500 3.495 20 0 EGADMP COc1cc(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663345909 461574600 /nfs/dbraw/zinc/57/46/00/461574600.db2.gz OMAHELNOZDQFNR-KRWDZBQOSA-N 2 1 332.488 3.224 20 0 EGADMP COc1cc2c(c(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)c1)O[C@@H](C)C2 ZINC000663346193 461577854 /nfs/dbraw/zinc/57/78/54/461577854.db2.gz QHXIPYPSCWUUBE-DOTOQJQBSA-N 2 1 344.499 3.230 20 0 EGADMP COc1cc2c(c(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)c1)O[C@@H](C)C2 ZINC000663346193 461577859 /nfs/dbraw/zinc/57/78/59/461577859.db2.gz QHXIPYPSCWUUBE-DOTOQJQBSA-N 2 1 344.499 3.230 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000631194749 461634783 /nfs/dbraw/zinc/63/47/83/461634783.db2.gz PBSFBPXRINPJRI-YZGWKJHDSA-N 2 1 328.500 3.446 20 0 EGADMP CC(C)n1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631195788 461636730 /nfs/dbraw/zinc/63/67/30/461636730.db2.gz JZLHLRCDHAWXEY-FXAWDEMLSA-N 2 1 326.488 3.322 20 0 EGADMP CC(C)n1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631195788 461636740 /nfs/dbraw/zinc/63/67/40/461636740.db2.gz JZLHLRCDHAWXEY-FXAWDEMLSA-N 2 1 326.488 3.322 20 0 EGADMP c1ccc(CN2CCC[C@H]([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000663469210 461657984 /nfs/dbraw/zinc/65/79/84/461657984.db2.gz PBKNBLSOITWGSG-VXKWHMMOSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](NC[C@@H]3CCC[NH+](CC4CC4)C3)C2)cc1 ZINC000663469210 461657989 /nfs/dbraw/zinc/65/79/89/461657989.db2.gz PBKNBLSOITWGSG-VXKWHMMOSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](NC[C@@H]3CCC[NH+](CC4CC4)C3)C2)cc1 ZINC000663469210 461657999 /nfs/dbraw/zinc/65/79/99/461657999.db2.gz PBKNBLSOITWGSG-VXKWHMMOSA-N 2 1 341.543 3.363 20 0 EGADMP c1cn2c(n1)C[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000639072643 461707491 /nfs/dbraw/zinc/70/74/91/461707491.db2.gz YFNQWQPKKVPABA-HBFSDRIKSA-N 2 1 336.483 3.156 20 0 EGADMP c1cn2c(n1)C[C@@H]([NH2+][C@@H]1CC[N@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000639072643 461707496 /nfs/dbraw/zinc/70/74/96/461707496.db2.gz YFNQWQPKKVPABA-HBFSDRIKSA-N 2 1 336.483 3.156 20 0 EGADMP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000637808449 461727186 /nfs/dbraw/zinc/72/71/86/461727186.db2.gz GMCGFWCTFHINMY-IBGZPJMESA-N 2 1 337.467 3.257 20 0 EGADMP c1ccc(COc2ccc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)cc2)nc1 ZINC000647482543 461730248 /nfs/dbraw/zinc/73/02/48/461730248.db2.gz NSLPIUINBCAWJL-UHFFFAOYSA-N 2 1 337.467 3.377 20 0 EGADMP COc1cccc(Oc2ncccc2C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000643457246 461733445 /nfs/dbraw/zinc/73/34/45/461733445.db2.gz MWGMLABXLAIJNO-BEFAXECRSA-N 2 1 341.455 3.360 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643455466 461733481 /nfs/dbraw/zinc/73/34/81/461733481.db2.gz JUXSDBPEUZUJIW-BJJXKVORSA-N 2 1 327.394 3.014 20 0 EGADMP c1ccc([C@H]2C[C@H](NCC[N@H+]3CC=CCC3)CC[NH+]2C2CC2)cc1 ZINC000639123483 461744760 /nfs/dbraw/zinc/74/47/60/461744760.db2.gz LGYTWCSXAIPDLV-TZIWHRDSSA-N 2 1 325.500 3.206 20 0 EGADMP c1ccc([C@H]2C[C@H](NCC[N@@H+]3CC=CCC3)CC[NH+]2C2CC2)cc1 ZINC000639123483 461744770 /nfs/dbraw/zinc/74/47/70/461744770.db2.gz LGYTWCSXAIPDLV-TZIWHRDSSA-N 2 1 325.500 3.206 20 0 EGADMP c1ccc([C@H]2C[C@H](NCC[NH+]3CC=CCC3)CC[N@@H+]2C2CC2)cc1 ZINC000639123483 461744776 /nfs/dbraw/zinc/74/47/76/461744776.db2.gz LGYTWCSXAIPDLV-TZIWHRDSSA-N 2 1 325.500 3.206 20 0 EGADMP c1ccc([C@H]2C[C@H](NCC[NH+]3CC=CCC3)CC[N@H+]2C2CC2)cc1 ZINC000639123483 461744782 /nfs/dbraw/zinc/74/47/82/461744782.db2.gz LGYTWCSXAIPDLV-TZIWHRDSSA-N 2 1 325.500 3.206 20 0 EGADMP Cc1cc(C)c(/C=C/C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1C ZINC000637869949 461746168 /nfs/dbraw/zinc/74/61/68/461746168.db2.gz OUABQCMCKXVYCZ-VOTSOKGWSA-N 2 1 341.543 3.338 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3CC[NH2+]CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000643497157 461747058 /nfs/dbraw/zinc/74/70/58/461747058.db2.gz HKAXZNSOOCPHJR-ACRUOGEOSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(CN2CC[C@H]([NH2+]CC3CC[NH2+]CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000643497157 461747066 /nfs/dbraw/zinc/74/70/66/461747066.db2.gz HKAXZNSOOCPHJR-ACRUOGEOSA-N 2 1 327.516 3.019 20 0 EGADMP Brc1cncc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543942 461758526 /nfs/dbraw/zinc/75/85/26/461758526.db2.gz URYDVXNDQDBTOL-GJZGRUSLSA-N 2 1 338.293 3.056 20 0 EGADMP COc1cc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543568 461759431 /nfs/dbraw/zinc/75/94/31/461759431.db2.gz PNRRBLKWXDGKAL-SJORKVTESA-N 2 1 332.488 3.224 20 0 EGADMP Cc1ccccc1[C@H](CC(F)(F)F)NC[C@H](O)C[N@H+](C)C(C)C ZINC000660422491 461769122 /nfs/dbraw/zinc/76/91/22/461769122.db2.gz GPXPJNNKYMCQIE-HOCLYGCPSA-N 2 1 332.410 3.279 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@@H](C3CC[NH+](C)CC3)C1)CC2 ZINC000639177029 461783184 /nfs/dbraw/zinc/78/31/84/461783184.db2.gz OMKXUKMOJOAITR-IEBWSBKVSA-N 2 1 344.499 3.355 20 0 EGADMP CC(C)c1ccc([C@H]([NH3+])CNCc2ccccc2-n2cncn2)cc1 ZINC000666785692 461801875 /nfs/dbraw/zinc/80/18/75/461801875.db2.gz YVQPNZURKALPJG-LJQANCHMSA-N 2 1 335.455 3.180 20 0 EGADMP CC[C@@H]([NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC ZINC000639241133 461822151 /nfs/dbraw/zinc/82/21/51/461822151.db2.gz HWBBTWOHQIHYGO-NQIIRXRSSA-N 2 1 345.531 3.039 20 0 EGADMP CNC(=O)C[C@@H](C)[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000639248420 461825423 /nfs/dbraw/zinc/82/54/23/461825423.db2.gz YIUGXWLGNYQEIE-DYESRHJHSA-N 2 1 345.531 3.039 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647789671 461835987 /nfs/dbraw/zinc/83/59/87/461835987.db2.gz JCOAENOCAPNRRW-FTWSKBIYSA-N 3 1 341.543 3.121 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647789671 461835993 /nfs/dbraw/zinc/83/59/93/461835993.db2.gz JCOAENOCAPNRRW-FTWSKBIYSA-N 2 1 341.543 3.121 20 0 EGADMP FC(F)CN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639272830 461838315 /nfs/dbraw/zinc/83/83/15/461838315.db2.gz OIKGQSMZMPHMRQ-ZIFCJYIRSA-N 2 1 349.469 3.284 20 0 EGADMP FC(F)CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639272830 461838318 /nfs/dbraw/zinc/83/83/18/461838318.db2.gz OIKGQSMZMPHMRQ-ZIFCJYIRSA-N 2 1 349.469 3.284 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(F)c3ccccc13)CCO2 ZINC000639286837 461845836 /nfs/dbraw/zinc/84/58/36/461845836.db2.gz FODQGGPMEFSJLM-UHFFFAOYSA-N 2 1 328.431 3.276 20 0 EGADMP Brc1ccccc1OCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815300 461848925 /nfs/dbraw/zinc/84/89/25/461848925.db2.gz YEHBNCWUOQASAH-UHFFFAOYSA-N 2 1 339.277 3.044 20 0 EGADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)CC1CC1 ZINC000639322235 461859817 /nfs/dbraw/zinc/85/98/17/461859817.db2.gz TZCNXYZLCHQNJI-DSKINZAPSA-N 2 1 328.500 3.353 20 0 EGADMP OC[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)CC1CC1 ZINC000639322235 461859826 /nfs/dbraw/zinc/85/98/26/461859826.db2.gz TZCNXYZLCHQNJI-DSKINZAPSA-N 2 1 328.500 3.353 20 0 EGADMP C[C@@H](c1cccs1)[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000647879541 461868116 /nfs/dbraw/zinc/86/81/16/461868116.db2.gz KUWVQNQPOYEFBY-KRWDZBQOSA-N 2 1 329.513 3.217 20 0 EGADMP C[N@@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)C[C@H]1CC[NH2+]C1 ZINC000647880916 461868803 /nfs/dbraw/zinc/86/88/03/461868803.db2.gz DHDCRUGAWOMZBG-KRWDZBQOSA-N 2 1 326.488 3.331 20 0 EGADMP C[N@@H+](CCCC1CC[NH2+]CC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000647884920 461870227 /nfs/dbraw/zinc/87/02/27/461870227.db2.gz KLTCIQZNKKQFGV-SFHVURJKSA-N 2 1 349.906 3.157 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)sn1 ZINC000639358734 461881176 /nfs/dbraw/zinc/88/11/76/461881176.db2.gz ARXFZPYJLNBOIB-GOEBONIOSA-N 2 1 331.485 3.009 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)sn1 ZINC000639358734 461881181 /nfs/dbraw/zinc/88/11/81/461881181.db2.gz ARXFZPYJLNBOIB-GOEBONIOSA-N 2 1 331.485 3.009 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3F)C2)C1 ZINC000650706543 461900024 /nfs/dbraw/zinc/90/00/24/461900024.db2.gz NDHBBRMYKNFGKR-XPKDYRNWSA-N 2 1 326.843 3.197 20 0 EGADMP COc1c(Br)cccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995511 461902637 /nfs/dbraw/zinc/90/26/37/461902637.db2.gz PXZCNFVCMLKOPW-CYBMUJFWSA-N 2 1 339.277 3.222 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000650707635 461902214 /nfs/dbraw/zinc/90/22/14/461902214.db2.gz JZQOMZQNYANUPK-XKQJLSEDSA-N 2 1 326.843 3.197 20 0 EGADMP CC1(C)Cc2cccc(C[N@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)c2O1 ZINC000650708278 461902337 /nfs/dbraw/zinc/90/23/37/461902337.db2.gz WXSAISBMZRVQGH-UHOSZYNNSA-N 2 1 344.499 3.118 20 0 EGADMP CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000650709835 461903486 /nfs/dbraw/zinc/90/34/86/461903486.db2.gz SGZVLIMPGAMNEP-RXVVDRJESA-N 2 1 336.483 3.410 20 0 EGADMP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666997147 461904117 /nfs/dbraw/zinc/90/41/17/461904117.db2.gz YXEVKCGUFATURZ-ZDUSSCGKSA-N 2 1 326.387 3.061 20 0 EGADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654855 461906035 /nfs/dbraw/zinc/90/60/35/461906035.db2.gz IJROGBNYFTVERJ-KSSFIOAISA-N 2 1 335.879 3.085 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)CN[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000660672201 461918357 /nfs/dbraw/zinc/91/83/57/461918357.db2.gz AEXYTQGZVGJFSC-RHSMWYFYSA-N 2 1 328.859 3.221 20 0 EGADMP c1csc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647976750 461919146 /nfs/dbraw/zinc/91/91/46/461919146.db2.gz SZVPSVATACJKMM-UONOGXRCSA-N 2 1 332.473 3.010 20 0 EGADMP Brc1cccc(C[C@@H]2CCCC[N@@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647992963 461927929 /nfs/dbraw/zinc/92/79/29/461927929.db2.gz SYCKXRSGOIRFTJ-WBVHZDCISA-N 2 1 337.305 3.456 20 0 EGADMP Brc1cccc(C[C@@H]2CCCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647992963 461927936 /nfs/dbraw/zinc/92/79/36/461927936.db2.gz SYCKXRSGOIRFTJ-WBVHZDCISA-N 2 1 337.305 3.456 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)Cc2cn(C)nc2-c2ccc(C)o2)CC1 ZINC000648003100 461932757 /nfs/dbraw/zinc/93/27/57/461932757.db2.gz HQKLKFGDMOHELI-UHFFFAOYSA-N 2 1 330.476 3.295 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2-c2ccc(C)o2)CC1 ZINC000648003100 461932762 /nfs/dbraw/zinc/93/27/62/461932762.db2.gz HQKLKFGDMOHELI-UHFFFAOYSA-N 2 1 330.476 3.295 20 0 EGADMP CCCc1nc(C)c(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)o1 ZINC000644445304 461957073 /nfs/dbraw/zinc/95/70/73/461957073.db2.gz BSDKWUWKLZRQKX-UHFFFAOYSA-N 2 1 331.460 3.166 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(-c3cccnc3)c1)CCO2 ZINC000648071708 461968119 /nfs/dbraw/zinc/96/81/19/461968119.db2.gz PYVLVGCCVLRQPB-UHFFFAOYSA-N 2 1 337.467 3.045 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CCC(=O)Nc2ccccc2F)C1 ZINC000644521944 461968130 /nfs/dbraw/zinc/96/81/30/461968130.db2.gz INOXYBBUMCOCTN-INIZCTEOSA-N 2 1 335.467 3.256 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CCC(=O)Nc1ccccc1F ZINC000644521953 461968428 /nfs/dbraw/zinc/96/84/28/461968428.db2.gz JGTKUXBYBACODY-MRXNPFEDSA-N 2 1 335.467 3.399 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCc1ccc(Cl)s1 ZINC000644523369 461969399 /nfs/dbraw/zinc/96/93/99/461969399.db2.gz QURXGYVPCHXJKK-OAHLLOKOSA-N 2 1 338.904 3.027 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCc1ccc(Cl)s1 ZINC000644523369 461969403 /nfs/dbraw/zinc/96/94/03/461969403.db2.gz QURXGYVPCHXJKK-OAHLLOKOSA-N 2 1 338.904 3.027 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000644638139 462018324 /nfs/dbraw/zinc/01/83/24/462018324.db2.gz VBFNUTUSUQQLGX-SLFFLAALSA-N 2 1 344.886 3.278 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000644638139 462018327 /nfs/dbraw/zinc/01/83/27/462018327.db2.gz VBFNUTUSUQQLGX-SLFFLAALSA-N 2 1 344.886 3.278 20 0 EGADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681863 462055209 /nfs/dbraw/zinc/05/52/09/462055209.db2.gz GEFWEVVCRUGZAP-INIZCTEOSA-N 2 1 349.438 3.405 20 0 EGADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681863 462055212 /nfs/dbraw/zinc/05/52/12/462055212.db2.gz GEFWEVVCRUGZAP-INIZCTEOSA-N 2 1 349.438 3.405 20 0 EGADMP C[C@H](CC[NH2+]Cc1c(C2CC2)cnn1C)[N@H+](C)Cc1ccccc1 ZINC000657384998 462087723 /nfs/dbraw/zinc/08/77/23/462087723.db2.gz WMFQBBBOQZACNI-MRXNPFEDSA-N 2 1 326.488 3.298 20 0 EGADMP C[C@H](CC[NH2+]Cc1c(C2CC2)cnn1C)[N@@H+](C)Cc1ccccc1 ZINC000657384998 462087728 /nfs/dbraw/zinc/08/77/28/462087728.db2.gz WMFQBBBOQZACNI-MRXNPFEDSA-N 2 1 326.488 3.298 20 0 EGADMP C[C@H]([NH2+]Cc1ccnn1CC1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657431373 462117966 /nfs/dbraw/zinc/11/79/66/462117966.db2.gz VZPKVYIQZOARQA-PXNSSMCTSA-N 2 1 338.499 3.293 20 0 EGADMP C[C@H]([NH2+]Cc1ccnn1CC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657431373 462117968 /nfs/dbraw/zinc/11/79/68/462117968.db2.gz VZPKVYIQZOARQA-PXNSSMCTSA-N 2 1 338.499 3.293 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(O[C@H](C)COC)cc2)CC1 ZINC000667534042 462131100 /nfs/dbraw/zinc/13/11/00/462131100.db2.gz KMWWDULHONBYSC-QGZVFWFLSA-N 2 1 334.504 3.407 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(O[C@H](C)COC)cc2)CC1 ZINC000667534042 462131105 /nfs/dbraw/zinc/13/11/05/462131105.db2.gz KMWWDULHONBYSC-QGZVFWFLSA-N 2 1 334.504 3.407 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000667533968 462131326 /nfs/dbraw/zinc/13/13/26/462131326.db2.gz HUZMCWAFFNQOBB-FQEVSTJZSA-N 2 1 332.488 3.161 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000667533968 462131332 /nfs/dbraw/zinc/13/13/32/462131332.db2.gz HUZMCWAFFNQOBB-FQEVSTJZSA-N 2 1 332.488 3.161 20 0 EGADMP Cc1[nH]c2nc[nH+]c(NCC3CCN(c4cc[nH+]cc4)CC3)c2c1C ZINC000645205940 462233937 /nfs/dbraw/zinc/23/39/37/462233937.db2.gz ONGFVGZGULAQTD-UHFFFAOYSA-N 2 1 336.443 3.298 20 0 EGADMP CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000648798805 462282820 /nfs/dbraw/zinc/28/28/20/462282820.db2.gz INZNPKZDXUAOHR-RBUKOAKNSA-N 2 1 332.488 3.016 20 0 EGADMP C[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000651678654 462300096 /nfs/dbraw/zinc/30/00/96/462300096.db2.gz YEBKHRLYCUDPMW-FXAWDEMLSA-N 2 1 343.515 3.133 20 0 EGADMP C[C@@H]1[C@H](C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC[N@H+]1C ZINC000648849391 462304337 /nfs/dbraw/zinc/30/43/37/462304337.db2.gz ITFDUWJULMZJRR-YLJYHZDGSA-N 2 1 343.515 3.240 20 0 EGADMP CCOC1CCC([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)CC1 ZINC000657878785 462306062 /nfs/dbraw/zinc/30/60/62/462306062.db2.gz HCNZUBZBNNQRRC-UHFFFAOYSA-N 2 1 338.536 3.347 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCCn2nccc21 ZINC000657907754 462314643 /nfs/dbraw/zinc/31/46/43/462314643.db2.gz QYPXQANEHQGAFA-ZDWTUXFCSA-N 2 1 338.499 3.464 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCCn2nccc21 ZINC000657907754 462314648 /nfs/dbraw/zinc/31/46/48/462314648.db2.gz QYPXQANEHQGAFA-ZDWTUXFCSA-N 2 1 338.499 3.464 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@H]1CCCn2nccc21 ZINC000657907751 462314850 /nfs/dbraw/zinc/31/48/50/462314850.db2.gz QYPXQANEHQGAFA-LMMKCTJWSA-N 2 1 338.499 3.464 20 0 EGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC[N@H+]3CCCC3(C)C)ccc21 ZINC000640222263 462319891 /nfs/dbraw/zinc/31/98/91/462319891.db2.gz LXRPZWGRCWGGLR-SFHVURJKSA-N 2 1 344.503 3.231 20 0 EGADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC000665251208 462369051 /nfs/dbraw/zinc/36/90/51/462369051.db2.gz JXOQFZJUPAHVOM-WOJBJXKFSA-N 2 1 328.500 3.461 20 0 EGADMP C([NH+]1CC[C@@H](C2CCC2)C1)C1(C[N@H+]2CC[C@@H](C3CCC3)C2)COC1 ZINC000665288233 462386246 /nfs/dbraw/zinc/38/62/46/462386246.db2.gz HUKNJZKUSQIGGV-WOJBJXKFSA-N 2 1 332.532 3.247 20 0 EGADMP C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532044 462430765 /nfs/dbraw/zinc/43/07/65/462430765.db2.gz UFXHLVRQFLAYPX-QGZVFWFLSA-N 2 1 349.494 3.028 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCC(C)(C)[NH3+] ZINC000649288485 462467974 /nfs/dbraw/zinc/46/79/74/462467974.db2.gz VAKMXTMDRFUECQ-INIZCTEOSA-N 2 1 331.504 3.195 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000649340668 462481777 /nfs/dbraw/zinc/48/17/77/462481777.db2.gz UISCTVHCXNHVCY-NHCUHLMSSA-N 2 1 329.532 3.456 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000649340668 462481781 /nfs/dbraw/zinc/48/17/81/462481781.db2.gz UISCTVHCXNHVCY-NHCUHLMSSA-N 2 1 329.532 3.456 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000649340668 462481785 /nfs/dbraw/zinc/48/17/85/462481785.db2.gz UISCTVHCXNHVCY-NHCUHLMSSA-N 2 1 329.532 3.456 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000662053215 462513512 /nfs/dbraw/zinc/51/35/12/462513512.db2.gz XSGZYOOPLWIYNJ-CQSZACIVSA-N 2 1 328.243 3.212 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NCCCNc2ccc(C)c[nH+]2)o1 ZINC000605891726 469584325 /nfs/dbraw/zinc/58/43/25/469584325.db2.gz WHAIWFYREUEEDR-UHFFFAOYSA-N 2 1 344.459 3.057 20 0 EGADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000181541328 529115312 /nfs/dbraw/zinc/11/53/12/529115312.db2.gz QWCOPGMFJQORLU-DLBZAZTESA-N 2 1 328.460 3.259 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000154532484 529143682 /nfs/dbraw/zinc/14/36/82/529143682.db2.gz QHZBUAXUNYNISW-LJQANCHMSA-N 2 1 335.923 3.335 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc12 ZINC000363784015 536898471 /nfs/dbraw/zinc/89/84/71/536898471.db2.gz OMGKMMXVYZBXQU-ULQDDVLXSA-N 2 1 340.467 3.362 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c2ccccc12 ZINC000363784015 536898473 /nfs/dbraw/zinc/89/84/73/536898473.db2.gz OMGKMMXVYZBXQU-ULQDDVLXSA-N 2 1 340.467 3.362 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2ccnc(N3CCCCCC3)c2)CC1 ZINC000156096432 546908290 /nfs/dbraw/zinc/90/82/90/546908290.db2.gz CZNJFQVSJUZSKL-UHFFFAOYSA-N 2 1 330.520 3.426 20 0 EGADMP CC[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000339074124 547569041 /nfs/dbraw/zinc/56/90/41/547569041.db2.gz KCPHHZIOAYEMSC-HBMCJLEFSA-N 2 1 327.516 3.040 20 0 EGADMP CC[C@H](CN[C@H]1CC[NH+]2CCC[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000339074124 547569044 /nfs/dbraw/zinc/56/90/44/547569044.db2.gz KCPHHZIOAYEMSC-HBMCJLEFSA-N 2 1 327.516 3.040 20 0 EGADMP CC[C@H](CN[C@H]1CC[NH+]2CCC[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000339074124 547569048 /nfs/dbraw/zinc/56/90/48/547569048.db2.gz KCPHHZIOAYEMSC-HBMCJLEFSA-N 2 1 327.516 3.040 20 0 EGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000339074124 547569058 /nfs/dbraw/zinc/56/90/58/547569058.db2.gz KCPHHZIOAYEMSC-HBMCJLEFSA-N 2 1 327.516 3.040 20 0 EGADMP CC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000339074124 547569061 /nfs/dbraw/zinc/56/90/61/547569061.db2.gz KCPHHZIOAYEMSC-HBMCJLEFSA-N 2 1 327.516 3.040 20 0 EGADMP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339072290 547569478 /nfs/dbraw/zinc/56/94/78/547569478.db2.gz WCEIEVVERXXTSA-RTWAWAEBSA-N 2 1 327.516 3.176 20 0 EGADMP Cc1ccccc1CN1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339072290 547569482 /nfs/dbraw/zinc/56/94/82/547569482.db2.gz WCEIEVVERXXTSA-RTWAWAEBSA-N 2 1 327.516 3.176 20 0 EGADMP Cc1ccccc1CN1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339072290 547569486 /nfs/dbraw/zinc/56/94/86/547569486.db2.gz WCEIEVVERXXTSA-RTWAWAEBSA-N 2 1 327.516 3.176 20 0 EGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000339229434 547571391 /nfs/dbraw/zinc/57/13/91/547571391.db2.gz HSENUAHJDUETKR-SFHVURJKSA-N 2 1 345.531 3.409 20 0 EGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000414922069 547861451 /nfs/dbraw/zinc/86/14/51/547861451.db2.gz GGMNBRGJFWUHJU-UONOGXRCSA-N 2 1 349.276 3.199 20 0 EGADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000675937224 549008078 /nfs/dbraw/zinc/00/80/78/549008078.db2.gz UAALHJXJFLLDCJ-MOXWOTFGSA-N 3 1 343.559 3.463 20 0 EGADMP C[C@@H]([NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000675937224 549008081 /nfs/dbraw/zinc/00/80/81/549008081.db2.gz UAALHJXJFLLDCJ-MOXWOTFGSA-N 2 1 343.559 3.463 20 0 EGADMP O=C(NC1CC1)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000678274029 549454712 /nfs/dbraw/zinc/45/47/12/549454712.db2.gz PSYZXEWLTCJTBZ-FQEVSTJZSA-N 2 1 341.499 3.029 20 0 EGADMP O=C(NC1CC1)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000678274029 549454714 /nfs/dbraw/zinc/45/47/14/549454714.db2.gz PSYZXEWLTCJTBZ-FQEVSTJZSA-N 2 1 341.499 3.029 20 0 EGADMP CC(C)Oc1ccccc1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678719817 549547439 /nfs/dbraw/zinc/54/74/39/549547439.db2.gz OTDGRAXCIYMPRB-HXUWFJFHSA-N 2 1 345.531 3.074 20 0 EGADMP CC(C)Oc1ccccc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678719817 549547441 /nfs/dbraw/zinc/54/74/41/549547441.db2.gz OTDGRAXCIYMPRB-HXUWFJFHSA-N 2 1 345.531 3.074 20 0 EGADMP CCCc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000679750346 549771671 /nfs/dbraw/zinc/77/16/71/549771671.db2.gz BNYYWARJLZYNFA-JOCHJYFZSA-N 2 1 338.495 3.496 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@H]1CCCO1 ZINC000680352971 549854316 /nfs/dbraw/zinc/85/43/16/549854316.db2.gz WKCVQYFDZDXCLV-OUJGAGHGSA-N 2 1 328.500 3.444 20 0 EGADMP O=C(CC1CC[NH+](CCC[NH+]2CCCCC2)CC1)NC1CCCC1 ZINC000682027863 550063123 /nfs/dbraw/zinc/06/31/23/550063123.db2.gz KVFSATVMYNEJAA-UHFFFAOYSA-N 2 1 335.536 3.023 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2cnc(C)nc2C)CC1 ZINC000682069764 550068230 /nfs/dbraw/zinc/06/82/30/550068230.db2.gz AAVCDPJESNBXIK-KRWDZBQOSA-N 2 1 348.535 3.225 20 0 EGADMP CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000682094699 550073312 /nfs/dbraw/zinc/07/33/12/550073312.db2.gz RXGQFGBEVHEWEZ-CVEARBPZSA-N 2 1 332.410 3.046 20 0 EGADMP CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000682094699 550073316 /nfs/dbraw/zinc/07/33/16/550073316.db2.gz RXGQFGBEVHEWEZ-CVEARBPZSA-N 2 1 332.410 3.046 20 0 EGADMP CN(C)C1(C[N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000682169650 550081566 /nfs/dbraw/zinc/08/15/66/550081566.db2.gz INXHRLLLWGQDAE-UHFFFAOYSA-N 2 1 345.531 3.077 20 0 EGADMP CN(C)C1(C[N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000682169650 550081568 /nfs/dbraw/zinc/08/15/68/550081568.db2.gz INXHRLLLWGQDAE-UHFFFAOYSA-N 2 1 345.531 3.077 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCC(F)(F)CC1 ZINC000682731763 550137816 /nfs/dbraw/zinc/13/78/16/550137816.db2.gz HXAPAIOOIMTXGE-WMLDXEAASA-N 2 1 330.463 3.433 20 0 EGADMP CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682789557 550144367 /nfs/dbraw/zinc/14/43/67/550144367.db2.gz RELNTPUYPAVGLV-HXUWFJFHSA-N 2 1 334.504 3.000 20 0 EGADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C4CCC4)cc3)CC2)C1 ZINC000683784820 550261289 /nfs/dbraw/zinc/26/12/89/550261289.db2.gz NVMWTJQSXSZHQW-OAQYLSRUSA-N 2 1 327.516 3.166 20 0 EGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C4CCC4)cc3)CC2)C1 ZINC000683784820 550261291 /nfs/dbraw/zinc/26/12/91/550261291.db2.gz NVMWTJQSXSZHQW-OAQYLSRUSA-N 2 1 327.516 3.166 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000683929494 550274670 /nfs/dbraw/zinc/27/46/70/550274670.db2.gz DALFJQGPAKIDOT-FQEVSTJZSA-N 2 1 335.451 3.024 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000684020232 550282489 /nfs/dbraw/zinc/28/24/89/550282489.db2.gz GNKGMKUFALMCHP-HDICACEKSA-N 2 1 340.515 3.158 20 0 EGADMP Fc1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000685841509 550447216 /nfs/dbraw/zinc/44/72/16/550447216.db2.gz FXYLOWUKEHWFAW-KRWDZBQOSA-N 2 1 340.870 3.255 20 0 EGADMP CCC[C@H](C)[N@H+]1Cc2ccc(NC(=S)NCC[NH+](C)C)cc2C1 ZINC000726496078 574559913 /nfs/dbraw/zinc/55/99/13/574559913.db2.gz SWVBHEFAQGKVOL-AWEZNQCLSA-N 2 1 334.533 3.039 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000729337599 574843661 /nfs/dbraw/zinc/84/36/61/574843661.db2.gz IIICSBZPQQYNLP-HDICACEKSA-N 2 1 337.552 3.125 20 0 EGADMP COc1cccc2cc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)oc21 ZINC000736357510 575942109 /nfs/dbraw/zinc/94/21/09/575942109.db2.gz KOWOHKWSKGOZGS-OAHLLOKOSA-N 2 1 344.455 3.032 20 0 EGADMP CC(C)CCn1cccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000738430914 576325265 /nfs/dbraw/zinc/32/52/65/576325265.db2.gz TZBYIADMMQQBMA-HXUWFJFHSA-N 2 1 333.520 3.267 20 0 EGADMP CN(C)c1ccc(N2CCC(Nc3[nH+]cnc4[nH]ccc43)CC2)cc1 ZINC000742417309 576781991 /nfs/dbraw/zinc/78/19/91/576781991.db2.gz MBWLWDSYLVHBKT-UHFFFAOYSA-N 2 1 336.443 3.105 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C[C@H](CC(C)C)CC2=O)CC1 ZINC000744434338 576828170 /nfs/dbraw/zinc/82/81/70/576828170.db2.gz LXJAKLZDRDXDDG-LJQANCHMSA-N 2 1 337.552 3.282 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCCCCCNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000698068320 1298168159 /nfs/dbraw/zinc/16/81/59/1298168159.db2.gz JOMIGMXQHKXRNQ-JKSUJKDBSA-N 2 1 327.513 3.144 20 0 EGADMP COc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)ccc1OCc1ccncc1 ZINC000895300331 1309276489 /nfs/dbraw/zinc/27/64/89/1309276489.db2.gz UDHBIPYJDNUNDJ-MRXNPFEDSA-N 2 1 343.471 3.099 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000044132810 1291475587 /nfs/dbraw/zinc/47/55/87/1291475587.db2.gz IIABKWALDNSHBL-GOSISDBHSA-N 2 1 346.544 3.053 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072808784 1292292879 /nfs/dbraw/zinc/29/28/79/1292292879.db2.gz UYBAZDLBENULQH-HKUYNNGSSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072808784 1292292889 /nfs/dbraw/zinc/29/28/89/1292292889.db2.gz UYBAZDLBENULQH-HKUYNNGSSA-N 2 1 346.519 3.085 20 0 EGADMP CCc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC000076400276 1292428498 /nfs/dbraw/zinc/42/84/98/1292428498.db2.gz PKLGKRFQBSPPQG-UHFFFAOYSA-N 2 1 337.511 3.286 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000079461619 1292560425 /nfs/dbraw/zinc/56/04/25/1292560425.db2.gz DTWSZUZNVSAUGJ-QAPCUYQASA-N 2 1 335.467 3.125 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000079461619 1292560430 /nfs/dbraw/zinc/56/04/30/1292560430.db2.gz DTWSZUZNVSAUGJ-QAPCUYQASA-N 2 1 335.467 3.125 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000079461619 1292560439 /nfs/dbraw/zinc/56/04/39/1292560439.db2.gz DTWSZUZNVSAUGJ-QAPCUYQASA-N 2 1 335.467 3.125 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000080187096 1292589864 /nfs/dbraw/zinc/58/98/64/1292589864.db2.gz XZOVINGCQUAMAQ-UHFFFAOYSA-N 2 1 339.483 3.033 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000080187096 1292589870 /nfs/dbraw/zinc/58/98/70/1292589870.db2.gz XZOVINGCQUAMAQ-UHFFFAOYSA-N 2 1 339.483 3.033 20 0 EGADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N(C)CCCC[NH+](C)C)c1 ZINC000081790717 1292673539 /nfs/dbraw/zinc/67/35/39/1292673539.db2.gz MLRZPWSOCDONLB-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1SC(F)(F)F ZINC000843364962 1321507237 /nfs/dbraw/zinc/50/72/37/1321507237.db2.gz XSSBDGVRJINRIN-PWSUYJOCSA-N 2 1 334.407 3.476 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1SC(F)(F)F ZINC000843364962 1321507244 /nfs/dbraw/zinc/50/72/44/1321507244.db2.gz XSSBDGVRJINRIN-PWSUYJOCSA-N 2 1 334.407 3.476 20 0 EGADMP CC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)OCCO1 ZINC000834765038 1293143915 /nfs/dbraw/zinc/14/39/15/1293143915.db2.gz JKBUJSKOXLGIGB-XUVXKRRUSA-N 2 1 344.499 3.172 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)CC[N@@H+]1C ZINC000124475626 1293476292 /nfs/dbraw/zinc/47/62/92/1293476292.db2.gz AWWCVXMEABMGIK-IMFGXOCKSA-N 2 1 338.499 3.381 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)CC[N@H+]1C ZINC000124475626 1293476297 /nfs/dbraw/zinc/47/62/97/1293476297.db2.gz AWWCVXMEABMGIK-IMFGXOCKSA-N 2 1 338.499 3.381 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)cc1 ZINC000127405494 1293562711 /nfs/dbraw/zinc/56/27/11/1293562711.db2.gz DHHVTWDWKUTZLQ-FATZIPQQSA-N 2 1 333.501 3.379 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000128251337 1293587492 /nfs/dbraw/zinc/58/74/92/1293587492.db2.gz BVDIFBBHRPMBFF-LZBANZJXSA-N 2 1 336.479 3.289 20 0 EGADMP CC(C)COc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000130407056 1293655734 /nfs/dbraw/zinc/65/57/34/1293655734.db2.gz PXBMMJWXJSHFIB-IBGZPJMESA-N 2 1 346.515 3.312 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000131449459 1293690507 /nfs/dbraw/zinc/69/05/07/1293690507.db2.gz CAISNSOSJKJSKS-JKSUJKDBSA-N 2 1 348.491 3.073 20 0 EGADMP CC[NH+](CC)[C@@H](C[NH2+]C1CCN(C(=O)c2ccoc2)CC1)CC(C)C ZINC000132924578 1293732651 /nfs/dbraw/zinc/73/26/51/1293732651.db2.gz FAOBKMNBWUZHGQ-LJQANCHMSA-N 2 1 349.519 3.230 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccc(C)cn1 ZINC000134016869 1293760064 /nfs/dbraw/zinc/76/00/64/1293760064.db2.gz DLMBEKQFQDTZQB-UHFFFAOYSA-N 2 1 327.472 3.400 20 0 EGADMP C[N@@H+](CCCCCC[NH3+])[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000846218927 1321777755 /nfs/dbraw/zinc/77/77/55/1321777755.db2.gz ZICMOLNEBLIKHM-CVEARBPZSA-N 2 1 331.287 3.402 20 0 EGADMP CCOc1ccc(NC(=O)CC[NH+]2CCC([NH+](CC)CC)CC2)cc1 ZINC000137277108 1293828505 /nfs/dbraw/zinc/82/85/05/1293828505.db2.gz QVMZXCXIEOOQRK-UHFFFAOYSA-N 2 1 347.503 3.220 20 0 EGADMP CCOc1cccc([C@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)c1 ZINC000154488251 1294057764 /nfs/dbraw/zinc/05/77/64/1294057764.db2.gz DASBCRHNJOZUBF-SFHVURJKSA-N 2 1 333.520 3.154 20 0 EGADMP c1ccc(COc2ccccc2C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000236727324 1296198475 /nfs/dbraw/zinc/19/84/75/1296198475.db2.gz UZLBAXSISGEXGD-QGZVFWFLSA-N 2 1 337.467 3.235 20 0 EGADMP c1ccc(COc2ccccc2C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)nc1 ZINC000236727324 1296198477 /nfs/dbraw/zinc/19/84/77/1296198477.db2.gz UZLBAXSISGEXGD-QGZVFWFLSA-N 2 1 337.467 3.235 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000247142683 1296383614 /nfs/dbraw/zinc/38/36/14/1296383614.db2.gz WJISPYOAVHSTSL-QKLQHJQFSA-N 2 1 346.515 3.409 20 0 EGADMP Cc1ccc([C@H](O)C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000247501689 1296394948 /nfs/dbraw/zinc/39/49/48/1296394948.db2.gz LTSLSKRBJSYJMF-IFMALSPDSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1ccc([C@H](O)C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000247501689 1296394963 /nfs/dbraw/zinc/39/49/63/1296394963.db2.gz LTSLSKRBJSYJMF-IFMALSPDSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1ccc([C@H](O)C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000247501689 1296394978 /nfs/dbraw/zinc/39/49/78/1296394978.db2.gz LTSLSKRBJSYJMF-IFMALSPDSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1ccc([C@H](O)C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000247501689 1296394991 /nfs/dbraw/zinc/39/49/91/1296394991.db2.gz LTSLSKRBJSYJMF-IFMALSPDSA-N 2 1 338.495 3.482 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]2c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)cc1 ZINC000871795257 1296537646 /nfs/dbraw/zinc/53/76/46/1296537646.db2.gz MCAKWPNMGRKFAK-HQSKLWIPSA-N 2 1 338.455 3.405 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]2c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)cc1 ZINC000871795257 1296537655 /nfs/dbraw/zinc/53/76/55/1296537655.db2.gz MCAKWPNMGRKFAK-HQSKLWIPSA-N 2 1 338.455 3.405 20 0 EGADMP CC1(C)CCc2onc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)c2C1 ZINC000872145622 1296768290 /nfs/dbraw/zinc/76/82/90/1296768290.db2.gz VGCKDMGAEHRKIZ-POZUXBRTSA-N 2 1 347.503 3.050 20 0 EGADMP CC1(C)CCc2onc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)c2C1 ZINC000872145622 1296768299 /nfs/dbraw/zinc/76/82/99/1296768299.db2.gz VGCKDMGAEHRKIZ-POZUXBRTSA-N 2 1 347.503 3.050 20 0 EGADMP CC(C)Oc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000305126630 1296983180 /nfs/dbraw/zinc/98/31/80/1296983180.db2.gz INDYYXKHSWBPFT-PMACEKPBSA-N 2 1 346.515 3.331 20 0 EGADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000326806539 1297241112 /nfs/dbraw/zinc/24/11/12/1297241112.db2.gz CKGFDNKBBRCMTE-JOZSIVFUSA-N 2 1 328.500 3.412 20 0 EGADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000326806539 1297241118 /nfs/dbraw/zinc/24/11/18/1297241118.db2.gz CKGFDNKBBRCMTE-JOZSIVFUSA-N 2 1 328.500 3.412 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H](c2ccccc2)O1 ZINC000873204003 1297350788 /nfs/dbraw/zinc/35/07/88/1297350788.db2.gz VZCKMPDJXKATET-RDTXWAMCSA-N 2 1 328.481 3.356 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H](c2ccccc2)O1 ZINC000873204003 1297350802 /nfs/dbraw/zinc/35/08/02/1297350802.db2.gz VZCKMPDJXKATET-RDTXWAMCSA-N 2 1 328.481 3.356 20 0 EGADMP Cc1ccccc1[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873206098 1297354296 /nfs/dbraw/zinc/35/42/96/1297354296.db2.gz VTMTZKKRGMXFKH-GOSISDBHSA-N 2 1 328.481 3.276 20 0 EGADMP Cc1ccccc1[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873206098 1297354305 /nfs/dbraw/zinc/35/43/05/1297354305.db2.gz VTMTZKKRGMXFKH-GOSISDBHSA-N 2 1 328.481 3.276 20 0 EGADMP CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873213137 1297355223 /nfs/dbraw/zinc/35/52/23/1297355223.db2.gz XSPCBKNLNVFYSZ-KRWDZBQOSA-N 2 1 327.497 3.105 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)C[C@@H]1C(F)(F)F ZINC000873229145 1297370964 /nfs/dbraw/zinc/37/09/64/1297370964.db2.gz YABWFVJRXGIHIX-HOCLYGCPSA-N 2 1 328.378 3.044 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCC3CC3)cc2)C[C@@H]1C(F)(F)F ZINC000873229145 1297370979 /nfs/dbraw/zinc/37/09/79/1297370979.db2.gz YABWFVJRXGIHIX-HOCLYGCPSA-N 2 1 328.378 3.044 20 0 EGADMP C[C@H](NC[C@H]1Cc2ccccc2C[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873292288 1297414646 /nfs/dbraw/zinc/41/46/46/1297414646.db2.gz AGGYDAZVGWZXKB-OFAXGOBFSA-N 2 1 349.522 3.201 20 0 EGADMP C[C@H]([NH2+]C[C@H]1Cc2ccccc2CN1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000873292288 1297414650 /nfs/dbraw/zinc/41/46/50/1297414650.db2.gz AGGYDAZVGWZXKB-OFAXGOBFSA-N 2 1 349.522 3.201 20 0 EGADMP C[C@H]([NH2+]C[C@H]1Cc2ccccc2CN1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873292288 1297414655 /nfs/dbraw/zinc/41/46/55/1297414655.db2.gz AGGYDAZVGWZXKB-OFAXGOBFSA-N 2 1 349.522 3.201 20 0 EGADMP C[C@@H](CCNC(=O)[C@H]([NH3+])CC1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000379664708 1297539169 /nfs/dbraw/zinc/53/91/69/1297539169.db2.gz QAJYWRGNYMQOBB-FXAWDEMLSA-N 2 1 345.531 3.311 20 0 EGADMP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000382381555 1297559179 /nfs/dbraw/zinc/55/91/79/1297559179.db2.gz BPBZASDRLJJVMB-NVXWUHKLSA-N 2 1 339.524 3.144 20 0 EGADMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000382381555 1297559186 /nfs/dbraw/zinc/55/91/86/1297559186.db2.gz BPBZASDRLJJVMB-NVXWUHKLSA-N 2 1 339.524 3.144 20 0 EGADMP CCC(CC)[C@H](C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000686218703 1298114891 /nfs/dbraw/zinc/11/48/91/1298114891.db2.gz CITUXYSEVJQZKK-YOEHRIQHSA-N 2 1 341.540 3.198 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000693861139 1298152858 /nfs/dbraw/zinc/15/28/58/1298152858.db2.gz HSOQHVSNTCHSFL-ZACQAIPSSA-N 2 1 339.524 3.144 20 0 EGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695203139 1298159694 /nfs/dbraw/zinc/15/96/94/1298159694.db2.gz FKLSIQXZSYNSGE-MRXNPFEDSA-N 2 1 341.540 3.344 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695203139 1298159699 /nfs/dbraw/zinc/15/96/99/1298159699.db2.gz FKLSIQXZSYNSGE-MRXNPFEDSA-N 2 1 341.540 3.344 20 0 EGADMP COc1cncc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000700073075 1298174387 /nfs/dbraw/zinc/17/43/87/1298174387.db2.gz TXKAAMMGOPWZPO-APWZRJJASA-N 2 1 325.456 3.233 20 0 EGADMP COc1cncc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000700073075 1298174392 /nfs/dbraw/zinc/17/43/92/1298174392.db2.gz TXKAAMMGOPWZPO-APWZRJJASA-N 2 1 325.456 3.233 20 0 EGADMP COc1cncc(CNC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000700062433 1298175006 /nfs/dbraw/zinc/17/50/06/1298175006.db2.gz ZBNSODSVXHWPFR-HXUWFJFHSA-N 2 1 325.456 3.092 20 0 EGADMP COc1cncc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000700062433 1298175014 /nfs/dbraw/zinc/17/50/14/1298175014.db2.gz ZBNSODSVXHWPFR-HXUWFJFHSA-N 2 1 325.456 3.092 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000700799539 1298179640 /nfs/dbraw/zinc/17/96/40/1298179640.db2.gz ITCAGAQIHUPHFD-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)[C@@H]1CN(C(=O)CC[NH2+]C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000707529338 1298229677 /nfs/dbraw/zinc/22/96/77/1298229677.db2.gz TVPGYOFJVXAXJH-IBGZPJMESA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000713067665 1298267644 /nfs/dbraw/zinc/26/76/44/1298267644.db2.gz LUEUUMIUEKDHRV-MOPGFXCFSA-N 2 1 345.531 3.167 20 0 EGADMP C[C@H](C(=O)NCCCCCCC[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000746884161 1298680601 /nfs/dbraw/zinc/68/06/01/1298680601.db2.gz DSTISHKPEUPERP-CEXWTWQISA-N 2 1 337.552 3.410 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCOc3cccnc3)CC[N@@H+]2C2CC2)cc1 ZINC000877038629 1299127021 /nfs/dbraw/zinc/12/70/21/1299127021.db2.gz URLXELFUMOQASF-RXVVDRJESA-N 2 1 337.467 3.418 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCOc3cccnc3)CC[N@H+]2C2CC2)cc1 ZINC000877038629 1299127026 /nfs/dbraw/zinc/12/70/26/1299127026.db2.gz URLXELFUMOQASF-RXVVDRJESA-N 2 1 337.467 3.418 20 0 EGADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000877136976 1299176013 /nfs/dbraw/zinc/17/60/13/1299176013.db2.gz QDSWYBFNPYAORP-HLAWJBBLSA-N 2 1 349.478 3.352 20 0 EGADMP CC1(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)OCCO1 ZINC000877345735 1299254281 /nfs/dbraw/zinc/25/42/81/1299254281.db2.gz AWGVIIZLWHSFKZ-IEBWSBKVSA-N 2 1 330.472 3.097 20 0 EGADMP CC1(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)OCCO1 ZINC000877345735 1299254288 /nfs/dbraw/zinc/25/42/88/1299254288.db2.gz AWGVIIZLWHSFKZ-IEBWSBKVSA-N 2 1 330.472 3.097 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(OCc4ccccn4)c3)CC[C@@H]21 ZINC000877744405 1299521462 /nfs/dbraw/zinc/52/14/62/1299521462.db2.gz SMGZDJAPHKYOSD-NQIIRXRSSA-N 2 1 337.467 3.187 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(OCc4ccccn4)c3)CC[C@@H]21 ZINC000877744405 1299521468 /nfs/dbraw/zinc/52/14/68/1299521468.db2.gz SMGZDJAPHKYOSD-NQIIRXRSSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(OCc4ccccn4)c3)CC[C@@H]21 ZINC000877744405 1299521473 /nfs/dbraw/zinc/52/14/73/1299521473.db2.gz SMGZDJAPHKYOSD-NQIIRXRSSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(OCc4ccccn4)c3)CC[C@@H]21 ZINC000877744405 1299521479 /nfs/dbraw/zinc/52/14/79/1299521479.db2.gz SMGZDJAPHKYOSD-NQIIRXRSSA-N 2 1 337.467 3.187 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000752419757 1299735883 /nfs/dbraw/zinc/73/58/83/1299735883.db2.gz IOLQQBQGQJZOQE-UHFFFAOYSA-N 2 1 346.519 3.131 20 0 EGADMP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000878126188 1299763802 /nfs/dbraw/zinc/76/38/02/1299763802.db2.gz UKUOWFIBVVSTET-MJGOQNOKSA-N 2 1 331.504 3.010 20 0 EGADMP CC[C@@H]1C[N@H+](CCC[NH+](CC)CC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000755067696 1300277559 /nfs/dbraw/zinc/27/75/59/1300277559.db2.gz QOENKQIGIAHHMR-SJORKVTESA-N 2 1 341.540 3.344 20 0 EGADMP CC[C@@H]1C[N@@H+](CCC[NH+](CC)CC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000755067696 1300277572 /nfs/dbraw/zinc/27/75/72/1300277572.db2.gz QOENKQIGIAHHMR-SJORKVTESA-N 2 1 341.540 3.344 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000765373808 1302254722 /nfs/dbraw/zinc/25/47/22/1302254722.db2.gz XRDQUUNYERGGBZ-UHFFFAOYSA-N 2 1 343.515 3.275 20 0 EGADMP COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000765630824 1302292892 /nfs/dbraw/zinc/29/28/92/1302292892.db2.gz ODUZOGIBMGBTCP-RHSMWYFYSA-N 2 1 342.443 3.062 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCC4(CCC4)O3)CC2)cc1 ZINC000883356044 1302409390 /nfs/dbraw/zinc/40/93/90/1302409390.db2.gz DDLCLDOXYXKZPV-HXUWFJFHSA-N 2 1 328.500 3.385 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4cccnc43)c2)CCO1 ZINC000886512974 1303482601 /nfs/dbraw/zinc/48/26/01/1303482601.db2.gz QSPYFRGQJHIBEL-OXQOHEQNSA-N 2 1 337.467 3.079 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4cccnc43)c2)CCO1 ZINC000886512974 1303482604 /nfs/dbraw/zinc/48/26/04/1303482604.db2.gz QSPYFRGQJHIBEL-OXQOHEQNSA-N 2 1 337.467 3.079 20 0 EGADMP COC(=O)c1cccc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c1 ZINC000886662960 1303543819 /nfs/dbraw/zinc/54/38/19/1303543819.db2.gz QKMIRRWUJYYVSD-UHFFFAOYSA-N 2 1 327.428 3.193 20 0 EGADMP Cc1[nH]c(C2CC[NH+](Cc3cccc4c3OCCO4)CC2)[nH+]c1C ZINC000886666057 1303546168 /nfs/dbraw/zinc/54/61/68/1303546168.db2.gz LQUFYCIJIPLIMA-UHFFFAOYSA-N 2 1 327.428 3.177 20 0 EGADMP CC[N@@H+](CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1)CC(C)C ZINC000773981934 1303760334 /nfs/dbraw/zinc/76/03/34/1303760334.db2.gz OBRDFBNCVOWIHB-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1cc(C)n(-c2ccc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)n1 ZINC000774123555 1303777187 /nfs/dbraw/zinc/77/71/87/1303777187.db2.gz PZFADUPDNBVAKJ-VCSGRIEYSA-N 2 1 338.499 3.246 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CC[C@H]3SCCS[C@@H]13)C2 ZINC000775364394 1303947137 /nfs/dbraw/zinc/94/71/37/1303947137.db2.gz MRSNPLWVWUEIGZ-QRVBRYPASA-N 2 1 348.581 3.404 20 0 EGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CC[C@H]3SCCS[C@@H]13)C2 ZINC000775364394 1303947139 /nfs/dbraw/zinc/94/71/39/1303947139.db2.gz MRSNPLWVWUEIGZ-QRVBRYPASA-N 2 1 348.581 3.404 20 0 EGADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CCCCC1 ZINC000775623671 1303997341 /nfs/dbraw/zinc/99/73/41/1303997341.db2.gz TZCCGLAARRHAQK-JKSUJKDBSA-N 2 1 339.524 3.286 20 0 EGADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000776851239 1304211553 /nfs/dbraw/zinc/21/15/53/1304211553.db2.gz JYLRTOLQJGLNBV-MHTWAQMVSA-N 2 1 328.500 3.101 20 0 EGADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000776851239 1304211558 /nfs/dbraw/zinc/21/15/58/1304211558.db2.gz JYLRTOLQJGLNBV-MHTWAQMVSA-N 2 1 328.500 3.101 20 0 EGADMP C[C@@H]1C[N@@H+]([C@@H]2CCc3cc(Cl)ccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000782184834 1304927588 /nfs/dbraw/zinc/92/75/88/1304927588.db2.gz GDOFKRGPJGZHGY-UIAACRFSSA-N 2 1 347.934 3.285 20 0 EGADMP C[C@@H]1C[N@H+]([C@@H]2CCc3cc(Cl)ccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000782184834 1304927591 /nfs/dbraw/zinc/92/75/91/1304927591.db2.gz GDOFKRGPJGZHGY-UIAACRFSSA-N 2 1 347.934 3.285 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2c(Cl)c(C)nn2C)CC1 ZINC000891611341 1305109498 /nfs/dbraw/zinc/10/94/98/1305109498.db2.gz LDWWICLBKSTEGF-UHFFFAOYSA-N 2 1 326.916 3.326 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(Cl)c(C)nn2C)CC1 ZINC000891611341 1305109504 /nfs/dbraw/zinc/10/95/04/1305109504.db2.gz LDWWICLBKSTEGF-UHFFFAOYSA-N 2 1 326.916 3.326 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cn(C)nc2C2CC2)C1 ZINC000891823725 1305179110 /nfs/dbraw/zinc/17/91/10/1305179110.db2.gz ZZTPPGIPFJBWSH-IAGOWNOFSA-N 2 1 330.520 3.384 20 0 EGADMP C[NH+](C)CCCC1CC[NH+](CN2C[C@H](CC(C)(C)C)OC2=O)CC1 ZINC000785507820 1305366659 /nfs/dbraw/zinc/36/66/59/1305366659.db2.gz UOHBHLADRVVZLI-KRWDZBQOSA-N 2 1 339.524 3.255 20 0 EGADMP COCCOC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000892580135 1305451707 /nfs/dbraw/zinc/45/17/07/1305451707.db2.gz HBPAVGTWGNXNDD-QZTJIDSGSA-N 2 1 334.504 3.060 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786783643 1305628979 /nfs/dbraw/zinc/62/89/79/1305628979.db2.gz NBLDWOYLLQTXON-IRXDYDNUSA-N 2 1 344.503 3.131 20 0 EGADMP Cc1cc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n(-c2ccccc2)n1 ZINC000893204736 1305760852 /nfs/dbraw/zinc/76/08/52/1305760852.db2.gz DGTTWKRIQFWGST-XIHRNRATSA-N 2 1 338.499 3.327 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000788467986 1305949630 /nfs/dbraw/zinc/94/96/30/1305949630.db2.gz CLEAVPCSDCMTLT-UHFFFAOYSA-N 2 1 335.923 3.190 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000894253643 1306304588 /nfs/dbraw/zinc/30/45/88/1306304588.db2.gz FWYGXBVWMMCLKU-HNNXBMFYSA-N 2 1 343.471 3.084 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000894253643 1306304595 /nfs/dbraw/zinc/30/45/95/1306304595.db2.gz FWYGXBVWMMCLKU-HNNXBMFYSA-N 2 1 343.471 3.084 20 0 EGADMP CC[N@@H+](Cc1cnn(C)c1C1CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000894456197 1308899562 /nfs/dbraw/zinc/89/95/62/1308899562.db2.gz NQKCQUHZYRZXQO-UHFFFAOYSA-N 2 1 326.488 3.381 20 0 EGADMP CC(C)[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H](O)c1ccccc1 ZINC000796363901 1309978538 /nfs/dbraw/zinc/97/85/38/1309978538.db2.gz REYAKULIJVGJBC-QZTJIDSGSA-N 2 1 333.501 3.053 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)c(OC)c(Cl)c2)CC1 ZINC000796703933 1310067990 /nfs/dbraw/zinc/06/79/90/1310067990.db2.gz LHVAENKZJHREQO-CQSZACIVSA-N 2 1 340.895 3.418 20 0 EGADMP CC(C)(C)[C@]1(C[NH2+][C@H]2C[C@H](CO)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000897355204 1310304910 /nfs/dbraw/zinc/30/49/10/1310304910.db2.gz IOFOBUPFUMJYQL-ZJOUEHCJSA-N 2 1 330.516 3.285 20 0 EGADMP CSc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)[NH+](C)C)cc1 ZINC000897863949 1310497788 /nfs/dbraw/zinc/49/77/88/1310497788.db2.gz JESRGUQZJJSXKR-IRXDYDNUSA-N 2 1 349.544 3.000 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(CCO)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898170884 1310612872 /nfs/dbraw/zinc/61/28/72/1310612872.db2.gz NHMYCJCVRYVHDA-AVRDEDQJSA-N 2 1 338.495 3.222 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ccc(Cl)cc1 ZINC001018971582 1316991079 /nfs/dbraw/zinc/99/10/79/1316991079.db2.gz IJEPYLOPICLKAG-YOEHRIQHSA-N 2 1 349.906 3.076 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCC2CCCC2)CC1 ZINC000957286971 1317261787 /nfs/dbraw/zinc/26/17/87/1317261787.db2.gz PWZITVGAONHNBZ-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCC2)C1 ZINC001019632454 1317310351 /nfs/dbraw/zinc/31/03/51/1317310351.db2.gz NICMBKTWOJKQKG-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001019632506 1317311384 /nfs/dbraw/zinc/31/13/84/1317311384.db2.gz PEEYFLWOKKORIU-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000957568307 1317465701 /nfs/dbraw/zinc/46/57/01/1317465701.db2.gz HJDXESPKZYZOPK-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N2CCC3(CC2)CC[NH+](CCC(C)(C)C)CC3)C1 ZINC000957644906 1317516407 /nfs/dbraw/zinc/51/64/07/1317516407.db2.gz NQUDBVJGPGCFGF-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001020144081 1317559299 /nfs/dbraw/zinc/55/92/99/1317559299.db2.gz PUYJDZGAIZMPFA-FRYIKTPZSA-N 2 1 343.515 3.166 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000902332285 1317564769 /nfs/dbraw/zinc/56/47/69/1317564769.db2.gz FBFTWKUKGMYBJK-VQTJNVASSA-N 2 1 329.532 3.266 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000902332285 1317564772 /nfs/dbraw/zinc/56/47/72/1317564772.db2.gz FBFTWKUKGMYBJK-VQTJNVASSA-N 2 1 329.532 3.266 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000902332285 1317564776 /nfs/dbraw/zinc/56/47/76/1317564776.db2.gz FBFTWKUKGMYBJK-VQTJNVASSA-N 2 1 329.532 3.266 20 0 EGADMP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC1([NH3+])CC1 ZINC000902413304 1317576150 /nfs/dbraw/zinc/57/61/50/1317576150.db2.gz JWOKFXBJFTUYLN-RNCFNFMXSA-N 2 1 327.291 3.313 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001020240039 1317605169 /nfs/dbraw/zinc/60/51/69/1317605169.db2.gz SIPOPPUMBHMPFV-QWFCFKBJSA-N 2 1 347.547 3.211 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC(C[NH+](CC)CC3CC3)CC2)C1 ZINC000957744833 1317611214 /nfs/dbraw/zinc/61/12/14/1317611214.db2.gz QKEQQLWHZUQKLH-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC(C[N@H+](CC)CC3CC3)CC2)C1 ZINC000957744833 1317611217 /nfs/dbraw/zinc/61/12/17/1317611217.db2.gz QKEQQLWHZUQKLH-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC(C[N@@H+](CC)CC3CC3)CC2)C1 ZINC000957744833 1317611219 /nfs/dbraw/zinc/61/12/19/1317611219.db2.gz QKEQQLWHZUQKLH-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC000957771875 1317635334 /nfs/dbraw/zinc/63/53/34/1317635334.db2.gz RMCOPKCCKPAPCM-UHFFFAOYSA-N 2 1 341.499 3.006 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CN2CC(C)(C)CC2=O)CC1)CC(C)C ZINC000808176526 1317641076 /nfs/dbraw/zinc/64/10/76/1317641076.db2.gz HKDQJKKKWSPKKG-UHFFFAOYSA-N 2 1 337.552 3.282 20 0 EGADMP CC[N@@H+](CC1CCC1)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC000957777951 1317641718 /nfs/dbraw/zinc/64/17/18/1317641718.db2.gz FLHAVQRUAHXLDI-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC1CCC1)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000957777951 1317641727 /nfs/dbraw/zinc/64/17/27/1317641727.db2.gz FLHAVQRUAHXLDI-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC1CCC1)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000957777951 1317641736 /nfs/dbraw/zinc/64/17/36/1317641736.db2.gz FLHAVQRUAHXLDI-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903076880 1317647512 /nfs/dbraw/zinc/64/75/12/1317647512.db2.gz VLPLCAORRCWEJJ-SEJJLSGZSA-N 2 1 333.564 3.490 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903076880 1317647518 /nfs/dbraw/zinc/64/75/18/1317647518.db2.gz VLPLCAORRCWEJJ-SEJJLSGZSA-N 2 1 333.564 3.490 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903076880 1317647527 /nfs/dbraw/zinc/64/75/27/1317647527.db2.gz VLPLCAORRCWEJJ-SEJJLSGZSA-N 2 1 333.564 3.490 20 0 EGADMP CC(=O)OCc1cccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000903091308 1317650051 /nfs/dbraw/zinc/65/00/51/1317650051.db2.gz RDMMVXRVLGKQPI-GJZGRUSLSA-N 2 1 329.444 3.242 20 0 EGADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[NH+](C)Cc1ccccc1 ZINC000903092841 1317652319 /nfs/dbraw/zinc/65/23/19/1317652319.db2.gz NGXIUAVIXHEHTF-UPRUFMODSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[N@H+](C)Cc1ccccc1 ZINC000903092841 1317652323 /nfs/dbraw/zinc/65/23/23/1317652323.db2.gz NGXIUAVIXHEHTF-UPRUFMODSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000903092841 1317652328 /nfs/dbraw/zinc/65/23/28/1317652328.db2.gz NGXIUAVIXHEHTF-UPRUFMODSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)N(C)Cc1ccccc1 ZINC000903092841 1317652332 /nfs/dbraw/zinc/65/23/32/1317652332.db2.gz NGXIUAVIXHEHTF-UPRUFMODSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)N(C)Cc1ccccc1 ZINC000903092841 1317652335 /nfs/dbraw/zinc/65/23/35/1317652335.db2.gz NGXIUAVIXHEHTF-UPRUFMODSA-N 2 1 327.516 3.254 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C1CCc3ccccc3CC1)C2 ZINC000903116565 1317655483 /nfs/dbraw/zinc/65/54/83/1317655483.db2.gz RXRLENJNTXBZIA-CZYKHXBRSA-N 2 1 342.527 3.003 20 0 EGADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000903119993 1317656854 /nfs/dbraw/zinc/65/68/54/1317656854.db2.gz UYHVOCHQXLNWAU-IWUPYOBGSA-N 2 1 346.515 3.216 20 0 EGADMP C[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)OCCc2sccc21 ZINC000903171234 1317667104 /nfs/dbraw/zinc/66/71/04/1317667104.db2.gz FTCWLZMOEPVSTL-RFXRPKLXSA-N 2 1 332.513 3.283 20 0 EGADMP c1cncc([C@@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CCO2)c1 ZINC000903185287 1317669039 /nfs/dbraw/zinc/66/90/39/1317669039.db2.gz CUIGKLNSHXHNHE-DSLRARGZSA-N 2 1 327.472 3.049 20 0 EGADMP Cn1cnc2cc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000903207061 1317675140 /nfs/dbraw/zinc/67/51/40/1317675140.db2.gz OUBOPKRROLRBBF-UHFFFAOYSA-N 2 1 334.467 3.328 20 0 EGADMP CC1([NH+]2CCCC2)CCC([NH2+][C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000903252357 1317681679 /nfs/dbraw/zinc/68/16/79/1317681679.db2.gz BAHAHEURKUNZGX-FDYSRKEFSA-N 2 1 339.487 3.281 20 0 EGADMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccnc(Cl)c1 ZINC000808719735 1317721697 /nfs/dbraw/zinc/72/16/97/1317721697.db2.gz IFJUTNIUMWQAGA-CQSZACIVSA-N 2 1 348.878 3.311 20 0 EGADMP c1ccc(C[C@H]2CCCC[N@@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903727634 1317725566 /nfs/dbraw/zinc/72/55/66/1317725566.db2.gz WIRFHOCMAWMYSO-WOJBJXKFSA-N 2 1 328.500 3.242 20 0 EGADMP Fc1ccccc1C[C@@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903766818 1317730637 /nfs/dbraw/zinc/73/06/37/1317730637.db2.gz BQOBDXHVMKITKX-RBUKOAKNSA-N 2 1 346.490 3.381 20 0 EGADMP COc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1F ZINC000903767066 1317730669 /nfs/dbraw/zinc/73/06/69/1317730669.db2.gz SWGJTGBHRGJKCC-FUHWJXTLSA-N 2 1 348.462 3.130 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903756818 1317731306 /nfs/dbraw/zinc/73/13/06/1317731306.db2.gz WEUIJQZJEZQRAJ-ZDWTUXFCSA-N 2 1 344.499 3.237 20 0 EGADMP CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903770725 1317732463 /nfs/dbraw/zinc/73/24/63/1317732463.db2.gz YYRJMJBATBJKLX-CMKODMSKSA-N 2 1 332.463 3.162 20 0 EGADMP CN(C)c1ncc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c2ccccc21 ZINC000929848431 1328718834 /nfs/dbraw/zinc/71/88/34/1328718834.db2.gz SCGUXNUQEJXAAU-OXQOHEQNSA-N 2 1 338.499 3.217 20 0 EGADMP CCC[N@@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)[C@@H]1CCc2ccccc21 ZINC000903883949 1317740774 /nfs/dbraw/zinc/74/07/74/1317740774.db2.gz MVWCQPNVRJFFRV-LAUBAEHRSA-N 2 1 340.515 3.245 20 0 EGADMP Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903892880 1317742942 /nfs/dbraw/zinc/74/29/42/1317742942.db2.gz ODWROGKZFIRIJP-ICSRJNTNSA-N 2 1 339.487 3.238 20 0 EGADMP Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903892880 1317742946 /nfs/dbraw/zinc/74/29/46/1317742946.db2.gz ODWROGKZFIRIJP-ICSRJNTNSA-N 2 1 339.487 3.238 20 0 EGADMP Cc1cccc([C@H]2CCC[N@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1C ZINC000903894914 1317743764 /nfs/dbraw/zinc/74/37/64/1317743764.db2.gz HLGHOMDKZXYRGL-YLJYHZDGSA-N 2 1 339.487 3.157 20 0 EGADMP CC[N@H+](CC(=O)Nc1c(C)cccc1C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903894809 1317744060 /nfs/dbraw/zinc/74/40/60/1317744060.db2.gz FEFHFLTWIKLGKI-AYHJJNSGSA-N 2 1 329.488 3.094 20 0 EGADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC000903899152 1317744699 /nfs/dbraw/zinc/74/46/99/1317744699.db2.gz SVBSPIYFUICJBS-YLJYHZDGSA-N 2 1 339.487 3.157 20 0 EGADMP [NH3+][C@H](C[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)CC(F)F ZINC000903926456 1317750525 /nfs/dbraw/zinc/75/05/25/1317750525.db2.gz SHCJWKFHYSDFBL-UONOGXRCSA-N 2 1 349.828 3.016 20 0 EGADMP CCCCn1nc(C)c(CNC[C@H]2CCCC[N@@H+](C)C2)c1Cl ZINC000858245940 1328720602 /nfs/dbraw/zinc/72/06/02/1328720602.db2.gz ZADPGACAONNSTL-OAHLLOKOSA-N 2 1 326.916 3.467 20 0 EGADMP C[N@H+]1CCCC[C@H](CNCc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000858245071 1328720979 /nfs/dbraw/zinc/72/09/79/1328720979.db2.gz BURJFRZITPDTDV-MRXNPFEDSA-N 2 1 348.491 3.250 20 0 EGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000858245071 1328720983 /nfs/dbraw/zinc/72/09/83/1328720983.db2.gz BURJFRZITPDTDV-MRXNPFEDSA-N 2 1 348.491 3.250 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000858245071 1328720987 /nfs/dbraw/zinc/72/09/87/1328720987.db2.gz BURJFRZITPDTDV-MRXNPFEDSA-N 2 1 348.491 3.250 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)c1ccccc1Cl ZINC001020586726 1317792324 /nfs/dbraw/zinc/79/23/24/1317792324.db2.gz XFDWZCNGBFLXON-VGWMRTNUSA-N 2 1 349.906 3.122 20 0 EGADMP Fc1ccc(Oc2cccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)c2)cc1 ZINC000904359058 1317834815 /nfs/dbraw/zinc/83/48/15/1317834815.db2.gz XBNQCFYYTLHSAN-LJQANCHMSA-N 2 1 330.403 3.086 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)c1 ZINC000809616060 1317844924 /nfs/dbraw/zinc/84/49/24/1317844924.db2.gz HZTAKKOBOBJFMU-UHFFFAOYSA-N 2 1 347.503 3.284 20 0 EGADMP C[C@@H](O)c1ncc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)s1 ZINC000809642710 1317855003 /nfs/dbraw/zinc/85/50/03/1317855003.db2.gz MPQVOXAEKCEXOE-CQSZACIVSA-N 2 1 325.522 3.331 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc2ccccc2c1 ZINC000809738328 1317884679 /nfs/dbraw/zinc/88/46/79/1317884679.db2.gz URXZRWDDENCIAP-HXUWFJFHSA-N 2 1 340.515 3.083 20 0 EGADMP CC(=O)Nc1ccccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738949 1317884782 /nfs/dbraw/zinc/88/47/82/1317884782.db2.gz QQHQYTMFJCBTLN-UHFFFAOYSA-N 2 1 325.456 3.339 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC2CCC3(CC2)OCCO3)cc1 ZINC000809738654 1317884832 /nfs/dbraw/zinc/88/48/32/1317884832.db2.gz DEHGLJZLMYZHDU-UHFFFAOYSA-N 2 1 332.488 3.113 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc(Cl)n1 ZINC000809786560 1317900417 /nfs/dbraw/zinc/90/04/17/1317900417.db2.gz FEWZBXLRCIZIAZ-UHFFFAOYSA-N 2 1 348.878 3.059 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001020909841 1317994251 /nfs/dbraw/zinc/99/42/51/1317994251.db2.gz RRMOOANFYWXVBQ-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001020910436 1317994661 /nfs/dbraw/zinc/99/46/61/1317994661.db2.gz WXQDSKNRESLVFM-KZNAEPCWSA-N 2 1 349.544 3.140 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001021096235 1318080223 /nfs/dbraw/zinc/08/02/23/1318080223.db2.gz KAROTXGKBAEPTM-MLYOOKFZSA-N 2 1 343.515 3.167 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001021380360 1318222390 /nfs/dbraw/zinc/22/23/90/1318222390.db2.gz BUSYVORMZLTOGR-OHSMVPPVSA-N 2 1 345.531 3.083 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001021380360 1318222400 /nfs/dbraw/zinc/22/24/00/1318222400.db2.gz BUSYVORMZLTOGR-OHSMVPPVSA-N 2 1 345.531 3.083 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001021380360 1318222406 /nfs/dbraw/zinc/22/24/06/1318222406.db2.gz BUSYVORMZLTOGR-OHSMVPPVSA-N 2 1 345.531 3.083 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001021380633 1318223930 /nfs/dbraw/zinc/22/39/30/1318223930.db2.gz NWJNVNCQHIDLMB-CSNJMZFVSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001021380633 1318223939 /nfs/dbraw/zinc/22/39/39/1318223939.db2.gz NWJNVNCQHIDLMB-CSNJMZFVSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001021380633 1318223947 /nfs/dbraw/zinc/22/39/47/1318223947.db2.gz NWJNVNCQHIDLMB-CSNJMZFVSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)CC2 ZINC000908504536 1318356881 /nfs/dbraw/zinc/35/68/81/1318356881.db2.gz DBJIPGVMKBGLJU-RBUKOAKNSA-N 2 1 347.547 3.116 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000960217747 1318415715 /nfs/dbraw/zinc/41/57/15/1318415715.db2.gz ZGBAPFNJCHHSKZ-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000909605428 1318500403 /nfs/dbraw/zinc/50/04/03/1318500403.db2.gz FMXWVLJAYUHDSK-LJQANCHMSA-N 2 1 329.488 3.402 20 0 EGADMP CC(C)[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021691379 1318566685 /nfs/dbraw/zinc/56/66/85/1318566685.db2.gz OWGRJICDVZMDNS-WOJBJXKFSA-N 2 1 343.515 3.083 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022068970 1318787255 /nfs/dbraw/zinc/78/72/55/1318787255.db2.gz DXEJZOFXVPRVCL-OTWHNJEPSA-N 2 1 335.536 3.066 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC000960679219 1318789158 /nfs/dbraw/zinc/78/91/58/1318789158.db2.gz CERVBQSGGQCNTK-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC000960679219 1318789165 /nfs/dbraw/zinc/78/91/65/1318789165.db2.gz CERVBQSGGQCNTK-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC000960679219 1318789167 /nfs/dbraw/zinc/78/91/67/1318789167.db2.gz CERVBQSGGQCNTK-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC2CCCC2)C1 ZINC000960688237 1318794585 /nfs/dbraw/zinc/79/45/85/1318794585.db2.gz FNMOGOSGJWHTGQ-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCCC2)C1 ZINC000960688237 1318794597 /nfs/dbraw/zinc/79/45/97/1318794597.db2.gz FNMOGOSGJWHTGQ-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCCC2)C1 ZINC000960688237 1318794609 /nfs/dbraw/zinc/79/46/09/1318794609.db2.gz FNMOGOSGJWHTGQ-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC000960694042 1318797398 /nfs/dbraw/zinc/79/73/98/1318797398.db2.gz WCVQXAXPKDFUHL-MJGOQNOKSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001022350679 1318902634 /nfs/dbraw/zinc/90/26/34/1318902634.db2.gz NKLKQTCYSNLRMX-HSALFYBXSA-N 2 1 347.547 3.234 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(C)cc(C)n2)CC1 ZINC000930146624 1328798494 /nfs/dbraw/zinc/79/84/94/1328798494.db2.gz VSEVGOVDDUQLMD-UHFFFAOYSA-N 2 1 333.520 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001022585004 1319004552 /nfs/dbraw/zinc/00/45/52/1319004552.db2.gz INXQJHJYFMCZJX-SLFFLAALSA-N 2 1 349.563 3.316 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC001022717102 1319081573 /nfs/dbraw/zinc/08/15/73/1319081573.db2.gz PLCTVJCSNNMGCG-KDURUIRLSA-N 2 1 349.563 3.316 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC000961027754 1319150436 /nfs/dbraw/zinc/15/04/36/1319150436.db2.gz OVFOJXGZUAUQOO-IBGZPJMESA-N 2 1 343.515 3.085 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)c1ccc2c[nH+]cn2c1 ZINC000816451946 1319160402 /nfs/dbraw/zinc/16/04/02/1319160402.db2.gz UFEKRERXWOOXFM-JXFKEZNVSA-N 2 1 349.434 3.402 20 0 EGADMP CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC000961192516 1319307365 /nfs/dbraw/zinc/30/73/65/1319307365.db2.gz ZOHLDKGRUVUHDB-MSOLQXFVSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC000961192516 1319307375 /nfs/dbraw/zinc/30/73/75/1319307375.db2.gz ZOHLDKGRUVUHDB-MSOLQXFVSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC000961192516 1319307381 /nfs/dbraw/zinc/30/73/81/1319307381.db2.gz ZOHLDKGRUVUHDB-MSOLQXFVSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961253641 1319400081 /nfs/dbraw/zinc/40/00/81/1319400081.db2.gz RFLGWBONFPCNMG-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961290981 1319450689 /nfs/dbraw/zinc/45/06/89/1319450689.db2.gz FJNKHDAMSZDJEE-WOJBJXKFSA-N 2 1 349.563 3.223 20 0 EGADMP COc1cccc2[nH]cc(CC[NH2+][C@@H](Cc3ccccc3)[C@@H](C)[NH3+])c21 ZINC000817920325 1319461216 /nfs/dbraw/zinc/46/12/16/1319461216.db2.gz IFHNYBHWXDYCFA-BEFAXECRSA-N 2 1 337.467 3.267 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC000961368583 1319526080 /nfs/dbraw/zinc/52/60/80/1319526080.db2.gz UHVKWSOIQCSQBT-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC000961368583 1319526084 /nfs/dbraw/zinc/52/60/84/1319526084.db2.gz UHVKWSOIQCSQBT-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC000961368583 1319526090 /nfs/dbraw/zinc/52/60/90/1319526090.db2.gz UHVKWSOIQCSQBT-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023453616 1319557428 /nfs/dbraw/zinc/55/74/28/1319557428.db2.gz CYRKFEJOZBWCFS-WBVHZDCISA-N 2 1 342.487 3.131 20 0 EGADMP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961411450 1319566779 /nfs/dbraw/zinc/56/67/79/1319566779.db2.gz NNKNKLKLGKHXAI-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961411450 1319566785 /nfs/dbraw/zinc/56/67/85/1319566785.db2.gz NNKNKLKLGKHXAI-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961411450 1319566790 /nfs/dbraw/zinc/56/67/90/1319566790.db2.gz NNKNKLKLGKHXAI-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961411846 1319569100 /nfs/dbraw/zinc/56/91/00/1319569100.db2.gz PEPDAZMRNHYSTC-QUCCMNQESA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961411846 1319569105 /nfs/dbraw/zinc/56/91/05/1319569105.db2.gz PEPDAZMRNHYSTC-QUCCMNQESA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961411846 1319569111 /nfs/dbraw/zinc/56/91/11/1319569111.db2.gz PEPDAZMRNHYSTC-QUCCMNQESA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC000961434302 1319586637 /nfs/dbraw/zinc/58/66/37/1319586637.db2.gz DZWBLHMKPUPODN-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC000961433732 1319586844 /nfs/dbraw/zinc/58/68/44/1319586844.db2.gz BUHBJBGRLWGRAN-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccc(F)c(F)c2)c1 ZINC000818970970 1319597477 /nfs/dbraw/zinc/59/74/77/1319597477.db2.gz RCRALQLDUXMQGA-IBGZPJMESA-N 2 1 334.410 3.240 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000819151820 1319649365 /nfs/dbraw/zinc/64/93/65/1319649365.db2.gz FLWDBOSZSLJTEE-RHSMWYFYSA-N 2 1 344.421 3.306 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000819151670 1319649980 /nfs/dbraw/zinc/64/99/80/1319649980.db2.gz DKHOMGKRCVUVOD-DYVFJYSZSA-N 2 1 328.859 3.080 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH+](CC3CCCCC3)C2)CC[N@H+]1C ZINC001023554229 1319666298 /nfs/dbraw/zinc/66/62/98/1319666298.db2.gz IIDXXGLJIXTBFT-SXLOBPIMSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@H+](CC3CCCCC3)C2)CC[NH+]1C ZINC001023554229 1319666306 /nfs/dbraw/zinc/66/63/06/1319666306.db2.gz IIDXXGLJIXTBFT-SXLOBPIMSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CC3CCCCC3)C2)CC[NH+]1C ZINC001023554229 1319666316 /nfs/dbraw/zinc/66/63/16/1319666316.db2.gz IIDXXGLJIXTBFT-SXLOBPIMSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C1=CC[N@@H+](C)CC1 ZINC000819220512 1319673056 /nfs/dbraw/zinc/67/30/56/1319673056.db2.gz PGTQNSIGTCXQPO-BDJLRTHQSA-N 2 1 329.271 3.267 20 0 EGADMP C[N@@H+]1CCC[C@H]2C[NH+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000822692340 1320114483 /nfs/dbraw/zinc/11/44/83/1320114483.db2.gz YBFOLVWIZNOLET-AFAVFJNCSA-N 2 1 343.298 3.443 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000822692340 1320114486 /nfs/dbraw/zinc/11/44/86/1320114486.db2.gz YBFOLVWIZNOLET-AFAVFJNCSA-N 2 1 343.298 3.443 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000822692340 1320114488 /nfs/dbraw/zinc/11/44/88/1320114488.db2.gz YBFOLVWIZNOLET-AFAVFJNCSA-N 2 1 343.298 3.443 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000822692340 1320114492 /nfs/dbraw/zinc/11/44/92/1320114492.db2.gz YBFOLVWIZNOLET-AFAVFJNCSA-N 2 1 343.298 3.443 20 0 EGADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000822838740 1320127850 /nfs/dbraw/zinc/12/78/50/1320127850.db2.gz CJWHTTGXALGVGN-INIZCTEOSA-N 2 1 346.519 3.033 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000823630703 1320193565 /nfs/dbraw/zinc/19/35/65/1320193565.db2.gz RYBQXSGADGKAGP-SJORKVTESA-N 2 1 341.540 3.342 20 0 EGADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccnc(Cl)c2F)cc1 ZINC000823666046 1320196617 /nfs/dbraw/zinc/19/66/17/1320196617.db2.gz DUEQDMXKTQXIQU-UHFFFAOYSA-N 2 1 337.826 3.104 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000826653701 1320393384 /nfs/dbraw/zinc/39/33/84/1320393384.db2.gz HYUQDHWEARJXTO-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839201091 1320894190 /nfs/dbraw/zinc/89/41/90/1320894190.db2.gz MZPKBZALPPPQRW-MRXNPFEDSA-N 2 1 337.895 3.453 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839201091 1320894194 /nfs/dbraw/zinc/89/41/94/1320894194.db2.gz MZPKBZALPPPQRW-MRXNPFEDSA-N 2 1 337.895 3.453 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000840807824 1321153611 /nfs/dbraw/zinc/15/36/11/1321153611.db2.gz GODJICXUIKAHNX-HZPDHXFCSA-N 2 1 331.460 3.026 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000841032125 1321204710 /nfs/dbraw/zinc/20/47/10/1321204710.db2.gz MEFNNQVNZKOSAY-XMSQKQJNSA-N 3 1 337.511 3.331 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000841032125 1321204720 /nfs/dbraw/zinc/20/47/20/1321204720.db2.gz MEFNNQVNZKOSAY-XMSQKQJNSA-N 3 1 337.511 3.331 20 0 EGADMP [NH3+]CCCCCCC[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000842471976 1321392643 /nfs/dbraw/zinc/39/26/43/1321392643.db2.gz JZHLJZWVDFOHRB-UHFFFAOYSA-N 2 1 345.531 3.063 20 0 EGADMP Fc1cccc(C[N@H+]2CCC[C@H](c3nc([C@H]4CCC[NH2+]C4)no3)C2)c1 ZINC000842669437 1321415044 /nfs/dbraw/zinc/41/50/44/1321415044.db2.gz OXDPQAPYOXJMLD-HOTGVXAUSA-N 2 1 344.434 3.055 20 0 EGADMP Fc1cccc(C[N@H+]2CCC[C@@H](c3nc(C4CC[NH2+]CC4)no3)C2)c1 ZINC000843138219 1321475746 /nfs/dbraw/zinc/47/57/46/1321475746.db2.gz PNORIUVGEBSXRZ-MRXNPFEDSA-N 2 1 344.434 3.055 20 0 EGADMP CC[NH+](CC)CCOc1ccc(-c2noc([C@H](C)[NH2+]C3CC3)n2)cc1 ZINC000843201262 1321486781 /nfs/dbraw/zinc/48/67/81/1321486781.db2.gz XZHIMFABJBRQRE-AWEZNQCLSA-N 2 1 344.459 3.270 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cc(Br)ncc1F ZINC000843344085 1321502713 /nfs/dbraw/zinc/50/27/13/1321502713.db2.gz PZOAHOIQZKQFBF-JTQLQIEISA-N 2 1 338.224 3.293 20 0 EGADMP C[N@@H+](CC(=O)Nc1ccccc1SC(F)F)C1CCC([NH3+])CC1 ZINC000843354039 1321505316 /nfs/dbraw/zinc/50/53/16/1321505316.db2.gz SITBHUQSFURWAB-UHFFFAOYSA-N 2 1 343.443 3.142 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000846218401 1321777807 /nfs/dbraw/zinc/77/78/07/1321777807.db2.gz NDCJYZCAKGWRTI-GOSISDBHSA-N 2 1 332.492 3.182 20 0 EGADMP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CCCCCC[NH3+])C2)cc1 ZINC000846218622 1321777839 /nfs/dbraw/zinc/77/78/39/1321777839.db2.gz UBYKEGZDSIGWQZ-SFHVURJKSA-N 2 1 346.519 3.348 20 0 EGADMP CN(C)c1ccc(C2CC[NH+](CCCc3c[nH+]cn3C)CC2)cc1 ZINC000846862759 1321818077 /nfs/dbraw/zinc/81/80/77/1321818077.db2.gz RKCDPAQAFADIOF-UHFFFAOYSA-N 2 1 326.488 3.298 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(/C=C/C(=O)OC)o2)c1 ZINC000848894341 1322032930 /nfs/dbraw/zinc/03/29/30/1322032930.db2.gz CWVSNPIRUARUAU-ZHACJKMWSA-N 2 1 342.439 3.207 20 0 EGADMP CC(C)c1ccccc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000848910293 1322043471 /nfs/dbraw/zinc/04/34/71/1322043471.db2.gz HUUVRXQEDGHWHM-HXUWFJFHSA-N 2 1 329.532 3.410 20 0 EGADMP CC(C)CCNC(=[NH2+])NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989808 1322056339 /nfs/dbraw/zinc/05/63/39/1322056339.db2.gz BZMJYPOCIXRCDN-IEBWSBKVSA-N 2 1 330.520 3.447 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC2CCCC2)cc1 ZINC000849002428 1322058031 /nfs/dbraw/zinc/05/80/31/1322058031.db2.gz FEDKYWGUXGLZDF-KRWDZBQOSA-N 2 1 344.503 3.106 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1cccc(Cl)c1 ZINC000849064781 1322063957 /nfs/dbraw/zinc/06/39/57/1322063957.db2.gz HGEIUOIEXWCWOW-MRXNPFEDSA-N 2 1 336.911 3.216 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(F)(F)F)cc1C ZINC000849087723 1322073232 /nfs/dbraw/zinc/07/32/32/1322073232.db2.gz KYNFGLIEYVNECF-OAHLLOKOSA-N 2 1 342.409 3.112 20 0 EGADMP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000849115668 1322084360 /nfs/dbraw/zinc/08/43/60/1322084360.db2.gz CZZXAUIIFMNHTD-HNNXBMFYSA-N 2 1 348.491 3.152 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000920181394 1322148370 /nfs/dbraw/zinc/14/83/70/1322148370.db2.gz VPZSZJMLWQUWEA-OAHLLOKOSA-N 2 1 332.517 3.438 20 0 EGADMP c1c2ccncc2sc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000850135733 1322197632 /nfs/dbraw/zinc/19/76/32/1322197632.db2.gz QBSYNEMMRUAKCF-INIZCTEOSA-N 2 1 331.485 3.029 20 0 EGADMP CCOC(=O)NC1CCC([NH2+]CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000850422186 1322245375 /nfs/dbraw/zinc/24/53/75/1322245375.db2.gz IIFHSGQAWZEGFF-UHFFFAOYSA-N 2 1 347.503 3.155 20 0 EGADMP CCOC(=O)NC1CCC([NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000850425403 1322246487 /nfs/dbraw/zinc/24/64/87/1322246487.db2.gz LZRRDOHMWSCXTR-RMFNQSEZSA-N 2 1 339.524 3.144 20 0 EGADMP CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000922403132 1322520490 /nfs/dbraw/zinc/52/04/90/1322520490.db2.gz XRCDROWAVAOFOL-RTBURBONSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@@H+](C[C@H]1CCNC(=O)CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033655 1329033646 /nfs/dbraw/zinc/03/36/46/1329033646.db2.gz JNWLXFQJOPJZRR-MRXNPFEDSA-N 2 1 337.552 3.314 20 0 EGADMP Cc1ccnc(NC[C@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000923326593 1322734750 /nfs/dbraw/zinc/73/47/50/1322734750.db2.gz MMPVTWKBLQOYLC-MSRNWOCLSA-N 2 1 328.504 3.045 20 0 EGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000923326593 1322734751 /nfs/dbraw/zinc/73/47/51/1322734751.db2.gz MMPVTWKBLQOYLC-MSRNWOCLSA-N 3 1 328.504 3.045 20 0 EGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000923326593 1322734754 /nfs/dbraw/zinc/73/47/54/1322734754.db2.gz MMPVTWKBLQOYLC-MSRNWOCLSA-N 3 1 328.504 3.045 20 0 EGADMP c1csc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]CC4)CC3)n2)c1 ZINC000923503406 1322764762 /nfs/dbraw/zinc/76/47/62/1322764762.db2.gz KSSATRCXCIXCGF-CQSZACIVSA-N 2 1 346.500 3.400 20 0 EGADMP COc1cccc([C@@H](C[NH2+]C2CC[NH+](CCC(C)C)CC2)N(C)C)c1 ZINC000924533510 1323046107 /nfs/dbraw/zinc/04/61/07/1323046107.db2.gz RBMXXPNHRQMBLK-OAQYLSRUSA-N 2 1 347.547 3.398 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1)C1CCC1 ZINC001024017532 1323079026 /nfs/dbraw/zinc/07/90/26/1323079026.db2.gz FTIIHSVKOVOZSD-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC000962810225 1323106786 /nfs/dbraw/zinc/10/67/86/1323106786.db2.gz VTXJGHDKGCMNJV-MHJFOBGBSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000924678528 1323108469 /nfs/dbraw/zinc/10/84/69/1323108469.db2.gz BRODCOSKEZQBOD-HLIPFELVSA-N 2 1 343.515 3.208 20 0 EGADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000924678531 1323108483 /nfs/dbraw/zinc/10/84/83/1323108483.db2.gz BRODCOSKEZQBOD-UWVAXJGDSA-N 2 1 343.515 3.208 20 0 EGADMP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000924678530 1323108861 /nfs/dbraw/zinc/10/88/61/1323108861.db2.gz BRODCOSKEZQBOD-MBOZVWFJSA-N 2 1 343.515 3.208 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cnnn1C ZINC000924695810 1323117848 /nfs/dbraw/zinc/11/78/48/1323117848.db2.gz SYIHJKGSDLWGFR-IXDOHACOSA-N 2 1 341.503 3.144 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnnn1C ZINC000924695810 1323117855 /nfs/dbraw/zinc/11/78/55/1323117855.db2.gz SYIHJKGSDLWGFR-IXDOHACOSA-N 2 1 341.503 3.144 20 0 EGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000852106596 1323149256 /nfs/dbraw/zinc/14/92/56/1323149256.db2.gz BTGFCOCUBAZLAL-DLBZAZTESA-N 2 1 342.405 3.157 20 0 EGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000852106596 1323149263 /nfs/dbraw/zinc/14/92/63/1323149263.db2.gz BTGFCOCUBAZLAL-DLBZAZTESA-N 2 1 342.405 3.157 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000852106596 1323149267 /nfs/dbraw/zinc/14/92/67/1323149267.db2.gz BTGFCOCUBAZLAL-DLBZAZTESA-N 2 1 342.405 3.157 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000852106596 1323149273 /nfs/dbraw/zinc/14/92/73/1323149273.db2.gz BTGFCOCUBAZLAL-DLBZAZTESA-N 2 1 342.405 3.157 20 0 EGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000852106605 1323149677 /nfs/dbraw/zinc/14/96/77/1323149677.db2.gz BTGFCOCUBAZLAL-SJORKVTESA-N 2 1 342.405 3.157 20 0 EGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000852106605 1323149684 /nfs/dbraw/zinc/14/96/84/1323149684.db2.gz BTGFCOCUBAZLAL-SJORKVTESA-N 2 1 342.405 3.157 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000852106605 1323149690 /nfs/dbraw/zinc/14/96/90/1323149690.db2.gz BTGFCOCUBAZLAL-SJORKVTESA-N 2 1 342.405 3.157 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000852106605 1323149696 /nfs/dbraw/zinc/14/96/96/1323149696.db2.gz BTGFCOCUBAZLAL-SJORKVTESA-N 2 1 342.405 3.157 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000963158239 1323219897 /nfs/dbraw/zinc/21/98/97/1323219897.db2.gz VPKMHJBZGMKOQS-SOAGJPPSSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnnn2-c2ccccc2)C1 ZINC000924962053 1323228499 /nfs/dbraw/zinc/22/84/99/1323228499.db2.gz YKLYBTNNELXTFR-IRXDYDNUSA-N 2 1 327.476 3.038 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnnn2-c2ccccc2)C1 ZINC000924962053 1323228511 /nfs/dbraw/zinc/22/85/11/1323228511.db2.gz YKLYBTNNELXTFR-IRXDYDNUSA-N 2 1 327.476 3.038 20 0 EGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(-c2ccccc2)no1 ZINC000924967253 1323232017 /nfs/dbraw/zinc/23/20/17/1323232017.db2.gz WGSRBEQHLVTABW-QGZVFWFLSA-N 2 1 342.487 3.020 20 0 EGADMP O[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000853106128 1323284259 /nfs/dbraw/zinc/28/42/59/1323284259.db2.gz QUIOWSQUAUKWJJ-TZIWHRDSSA-N 2 1 339.483 3.007 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCCC1 ZINC001024366612 1323341202 /nfs/dbraw/zinc/34/12/02/1323341202.db2.gz UBVGGHIXANJUFY-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC1CCCC1 ZINC001024366612 1323341208 /nfs/dbraw/zinc/34/12/08/1323341208.db2.gz UBVGGHIXANJUFY-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCC1CCCC1 ZINC001024366612 1323341212 /nfs/dbraw/zinc/34/12/12/1323341212.db2.gz UBVGGHIXANJUFY-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024436645 1323395225 /nfs/dbraw/zinc/39/52/25/1323395225.db2.gz GIILTAKNXAGHQU-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC001024436645 1323395230 /nfs/dbraw/zinc/39/52/30/1323395230.db2.gz GIILTAKNXAGHQU-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCC1CCC1 ZINC001024436645 1323395232 /nfs/dbraw/zinc/39/52/32/1323395232.db2.gz GIILTAKNXAGHQU-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1CC1CC1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440950 1323403764 /nfs/dbraw/zinc/40/37/64/1323403764.db2.gz VTKWIMAQEHJQEZ-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCCC[NH+]1CC1CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440950 1323403767 /nfs/dbraw/zinc/40/37/67/1323403767.db2.gz VTKWIMAQEHJQEZ-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCCC[NH+]1CC1CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440950 1323403771 /nfs/dbraw/zinc/40/37/71/1323403771.db2.gz VTKWIMAQEHJQEZ-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479214 1323433650 /nfs/dbraw/zinc/43/36/50/1323433650.db2.gz BZQSQKSAXOIFPE-IAGOWNOFSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479214 1323433657 /nfs/dbraw/zinc/43/36/57/1323433657.db2.gz BZQSQKSAXOIFPE-IAGOWNOFSA-N 2 1 346.519 3.167 20 0 EGADMP Cc1c(C(=O)NC[C@H]2CCCC[N@H+]2CC2CCC2)ccc2c[nH+]cn21 ZINC001024520452 1323469319 /nfs/dbraw/zinc/46/93/19/1323469319.db2.gz KFIDRMXFEWCYDX-QGZVFWFLSA-N 2 1 340.471 3.027 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001024524771 1323471806 /nfs/dbraw/zinc/47/18/06/1323471806.db2.gz ZWCUFYQWYGBOIV-RTBURBONSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024524771 1323471808 /nfs/dbraw/zinc/47/18/08/1323471808.db2.gz ZWCUFYQWYGBOIV-RTBURBONSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024524771 1323471810 /nfs/dbraw/zinc/47/18/10/1323471810.db2.gz ZWCUFYQWYGBOIV-RTBURBONSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024617069 1323545186 /nfs/dbraw/zinc/54/51/86/1323545186.db2.gz AVJFPNVKAPLSED-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617069 1323545189 /nfs/dbraw/zinc/54/51/89/1323545189.db2.gz AVJFPNVKAPLSED-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617069 1323545194 /nfs/dbraw/zinc/54/51/94/1323545194.db2.gz AVJFPNVKAPLSED-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024812194 1323716186 /nfs/dbraw/zinc/71/61/86/1323716186.db2.gz KCHBLGYAJPCIJE-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1=CCCCC1 ZINC001024812194 1323716190 /nfs/dbraw/zinc/71/61/90/1323716190.db2.gz KCHBLGYAJPCIJE-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1=CCCCC1 ZINC001024812194 1323716194 /nfs/dbraw/zinc/71/61/94/1323716194.db2.gz KCHBLGYAJPCIJE-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001024962304 1323801599 /nfs/dbraw/zinc/80/15/99/1323801599.db2.gz NUMOUYIFRCEUSG-MSOLQXFVSA-N 2 1 349.544 3.092 20 0 EGADMP COc1ccc(-c2nc(CN3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)cs2)cc1 ZINC000931430995 1329115839 /nfs/dbraw/zinc/11/58/39/1329115839.db2.gz HQXPLLASKRAJCP-JKSUJKDBSA-N 2 1 343.496 3.202 20 0 EGADMP COc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)cs2)cc1 ZINC000931430995 1329115846 /nfs/dbraw/zinc/11/58/46/1329115846.db2.gz HQXPLLASKRAJCP-JKSUJKDBSA-N 2 1 343.496 3.202 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)cs2)cc1 ZINC000931430995 1329115850 /nfs/dbraw/zinc/11/58/50/1329115850.db2.gz HQXPLLASKRAJCP-JKSUJKDBSA-N 2 1 343.496 3.202 20 0 EGADMP COc1ccc(-c2nc(C[NH+]3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)cs2)cc1 ZINC000931430995 1329115855 /nfs/dbraw/zinc/11/58/55/1329115855.db2.gz HQXPLLASKRAJCP-JKSUJKDBSA-N 2 1 343.496 3.202 20 0 EGADMP COc1ccc(-c2nc(C[NH+]3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)cs2)cc1 ZINC000931430995 1329115857 /nfs/dbraw/zinc/11/58/57/1329115857.db2.gz HQXPLLASKRAJCP-JKSUJKDBSA-N 2 1 343.496 3.202 20 0 EGADMP Cc1ccc(-c2noc([C@H](C)[N@@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)n2)cc1F ZINC000931432917 1329116709 /nfs/dbraw/zinc/11/67/09/1329116709.db2.gz JZBPEGXYWPWIBF-CWRNSKLLSA-N 2 1 344.434 3.129 20 0 EGADMP Cc1ccc(-c2noc([C@H](C)[N@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)n2)cc1F ZINC000931432917 1329116712 /nfs/dbraw/zinc/11/67/12/1329116712.db2.gz JZBPEGXYWPWIBF-CWRNSKLLSA-N 2 1 344.434 3.129 20 0 EGADMP Cc1ccc(-c2noc([C@H](C)[NH+]3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)n2)cc1F ZINC000931432917 1329116718 /nfs/dbraw/zinc/11/67/18/1329116718.db2.gz JZBPEGXYWPWIBF-CWRNSKLLSA-N 2 1 344.434 3.129 20 0 EGADMP Cc1ccc(-c2noc([C@H](C)[NH+]3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)n2)cc1F ZINC000931432917 1329116720 /nfs/dbraw/zinc/11/67/20/1329116720.db2.gz JZBPEGXYWPWIBF-CWRNSKLLSA-N 2 1 344.434 3.129 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025243746 1324039827 /nfs/dbraw/zinc/03/98/27/1324039827.db2.gz QNXBGPFFKZPPRF-RTBURBONSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025273923 1324090388 /nfs/dbraw/zinc/09/03/88/1324090388.db2.gz IEWLJGIQIILSFS-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293522 1324120009 /nfs/dbraw/zinc/12/00/09/1324120009.db2.gz CZKOMFBPGQICGB-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475872 1324320724 /nfs/dbraw/zinc/32/07/24/1324320724.db2.gz VUJAJORDSUGJHS-SJLPKXTDSA-N 2 1 342.487 3.211 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CCC2CC2)CC1 ZINC001026571814 1324904642 /nfs/dbraw/zinc/90/46/42/1324904642.db2.gz NEFVGQLHBPCZMY-CTWPCTMYSA-N 2 1 335.536 3.066 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NC2CCC([NH2+]CCC3=CCCCC3)CC2)C1 ZINC001026592491 1324918424 /nfs/dbraw/zinc/91/84/24/1324918424.db2.gz CNKQUYKTOYDHHG-HDYDNRTBSA-N 2 1 347.547 3.236 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026897910 1325067410 /nfs/dbraw/zinc/06/74/10/1325067410.db2.gz WQGXAUMUZMNXQF-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001026932419 1325089990 /nfs/dbraw/zinc/08/99/90/1325089990.db2.gz YQXRYKHBKAXYKU-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364407 1325166151 /nfs/dbraw/zinc/16/61/51/1325166151.db2.gz CCWQAOAGRDEGRZ-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925536795 1325197642 /nfs/dbraw/zinc/19/76/42/1325197642.db2.gz GNJNKRXLEJOPHG-RTWAWAEBSA-N 2 1 338.499 3.189 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C23CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000925542710 1325200194 /nfs/dbraw/zinc/20/01/94/1325200194.db2.gz OICBEPHAFORGGZ-MISYRCLQSA-N 2 1 327.516 3.304 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925556075 1325206786 /nfs/dbraw/zinc/20/67/86/1325206786.db2.gz JTLXPDMOSMBOPR-KRFUXDQASA-N 2 1 327.516 3.003 20 0 EGADMP Cc1sc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)nc1-c1ccccc1 ZINC000925587807 1325221948 /nfs/dbraw/zinc/22/19/48/1325221948.db2.gz KBWQKDVWNXIHBB-WKKSIBQESA-N 2 1 339.508 3.247 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnnn2-c2ccccc2)C1 ZINC000925589649 1325223281 /nfs/dbraw/zinc/22/32/81/1325223281.db2.gz ZXMZVZVFDDBSDP-MSOLQXFVSA-N 2 1 341.503 3.286 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnnn2-c2ccccc2)C1 ZINC000925589649 1325223288 /nfs/dbraw/zinc/22/32/88/1325223288.db2.gz ZXMZVZVFDDBSDP-MSOLQXFVSA-N 2 1 341.503 3.286 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC000925709193 1325266789 /nfs/dbraw/zinc/26/67/89/1325266789.db2.gz UORUPHXTSHIYJE-FRIKZZABSA-N 3 1 339.527 3.424 20 0 EGADMP C[NH+]1CC=C(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000925709193 1325266798 /nfs/dbraw/zinc/26/67/98/1325266798.db2.gz UORUPHXTSHIYJE-FRIKZZABSA-N 3 1 339.527 3.424 20 0 EGADMP C[NH+]1CC=C(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000925709193 1325266801 /nfs/dbraw/zinc/26/68/01/1325266801.db2.gz UORUPHXTSHIYJE-FRIKZZABSA-N 3 1 339.527 3.424 20 0 EGADMP C[N@H+]1CC=C(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000925709193 1325266810 /nfs/dbraw/zinc/26/68/10/1325266810.db2.gz UORUPHXTSHIYJE-FRIKZZABSA-N 2 1 339.527 3.424 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000925709193 1325266817 /nfs/dbraw/zinc/26/68/17/1325266817.db2.gz UORUPHXTSHIYJE-FRIKZZABSA-N 2 1 339.527 3.424 20 0 EGADMP CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC000964645116 1327618539 /nfs/dbraw/zinc/61/85/39/1327618539.db2.gz VMRSNGWQFIMDQA-JDKNDNFBSA-N 2 1 347.547 3.211 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1nc(Br)ccc1F ZINC000926572668 1327620082 /nfs/dbraw/zinc/62/00/82/1327620082.db2.gz GSRNJAZAWYPHCY-NEPJUHHUSA-N 2 1 344.272 3.366 20 0 EGADMP C[NH+](C)C1(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000926601314 1327632384 /nfs/dbraw/zinc/63/23/84/1327632384.db2.gz PPGGRZJZFKNBTA-IHWFROFDSA-N 2 1 327.516 3.256 20 0 EGADMP CN(C)C1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000926601314 1327632404 /nfs/dbraw/zinc/63/24/04/1327632404.db2.gz PPGGRZJZFKNBTA-IHWFROFDSA-N 2 1 327.516 3.256 20 0 EGADMP CN(C)C1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000926601314 1327632411 /nfs/dbraw/zinc/63/24/11/1327632411.db2.gz PPGGRZJZFKNBTA-IHWFROFDSA-N 2 1 327.516 3.256 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027410664 1327636757 /nfs/dbraw/zinc/63/67/57/1327636757.db2.gz YKAKEWDPKRCLRG-OALUTQOASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001027410664 1327636764 /nfs/dbraw/zinc/63/67/64/1327636764.db2.gz YKAKEWDPKRCLRG-OALUTQOASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001027410664 1327636770 /nfs/dbraw/zinc/63/67/70/1327636770.db2.gz YKAKEWDPKRCLRG-OALUTQOASA-N 2 1 349.563 3.218 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1 ZINC001027417167 1327642657 /nfs/dbraw/zinc/64/26/57/1327642657.db2.gz WKSQGZZHZUAVHP-AEFFLSMTSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC001027417167 1327642663 /nfs/dbraw/zinc/64/26/63/1327642663.db2.gz WKSQGZZHZUAVHP-AEFFLSMTSA-N 2 1 346.519 3.120 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CC3=CCCCC3)C2)CC[N@H+]1C ZINC001027418668 1327645058 /nfs/dbraw/zinc/64/50/58/1327645058.db2.gz GUJFMMSUBIQQRK-HSALFYBXSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)CC3=CCCCC3)C2)CC[NH+]1C ZINC001027418668 1327645067 /nfs/dbraw/zinc/64/50/67/1327645067.db2.gz GUJFMMSUBIQQRK-HSALFYBXSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)CC3=CCCCC3)C2)CC[NH+]1C ZINC001027418668 1327645075 /nfs/dbraw/zinc/64/50/75/1327645075.db2.gz GUJFMMSUBIQQRK-HSALFYBXSA-N 2 1 347.547 3.140 20 0 EGADMP C[N@@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027447977 1327689894 /nfs/dbraw/zinc/68/98/94/1327689894.db2.gz CRNJXCOIZFKLQC-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCC1)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001027447977 1327689902 /nfs/dbraw/zinc/68/99/02/1327689902.db2.gz CRNJXCOIZFKLQC-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCC1)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001027447977 1327689912 /nfs/dbraw/zinc/68/99/12/1327689912.db2.gz CRNJXCOIZFKLQC-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027464871 1327717184 /nfs/dbraw/zinc/71/71/84/1327717184.db2.gz IMWVAPDOZHOTOX-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001027464871 1327717190 /nfs/dbraw/zinc/71/71/90/1327717190.db2.gz IMWVAPDOZHOTOX-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001027464871 1327717197 /nfs/dbraw/zinc/71/71/97/1327717197.db2.gz IMWVAPDOZHOTOX-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027603167 1327956638 /nfs/dbraw/zinc/95/66/38/1327956638.db2.gz DRZLJAGLAVORGY-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCC2CC2)C1 ZINC001027648776 1328027944 /nfs/dbraw/zinc/02/79/44/1328027944.db2.gz ZPTWVCYCHDKHQE-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1 ZINC001027648776 1328027949 /nfs/dbraw/zinc/02/79/49/1328027949.db2.gz ZPTWVCYCHDKHQE-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC001027648776 1328027955 /nfs/dbraw/zinc/02/79/55/1328027955.db2.gz ZPTWVCYCHDKHQE-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1)[NH+]1CCCCC1 ZINC001027694492 1328100856 /nfs/dbraw/zinc/10/08/56/1328100856.db2.gz AERKCTHVCCPCNU-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001027918128 1328395524 /nfs/dbraw/zinc/39/55/24/1328395524.db2.gz KHAFZKGSKZIETJ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001027918128 1328395530 /nfs/dbraw/zinc/39/55/30/1328395530.db2.gz KHAFZKGSKZIETJ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCC1 ZINC001027918128 1328395539 /nfs/dbraw/zinc/39/55/39/1328395539.db2.gz KHAFZKGSKZIETJ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CCCC1CCC1)C12CCC[NH+](CCC1)C2 ZINC001027963759 1328434760 /nfs/dbraw/zinc/43/47/60/1328434760.db2.gz DHSZZHHXIJOEAJ-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP Cc1c(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc2c[nH+]cn21 ZINC001027984113 1328456373 /nfs/dbraw/zinc/45/63/73/1328456373.db2.gz JMRBSJUXASLAPV-SFHVURJKSA-N 2 1 348.450 3.037 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC000865417272 1329694433 /nfs/dbraw/zinc/69/44/33/1329694433.db2.gz FEIYSLPASVTTII-SFHVURJKSA-N 2 1 347.503 3.143 20 0 EGADMP COc1ccccc1-c1nc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)co1 ZINC000866667699 1330139607 /nfs/dbraw/zinc/13/96/07/1330139607.db2.gz VMAHVMXNRXHZGS-OAHLLOKOSA-N 2 1 341.455 3.314 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC1(C)C ZINC000940779910 1331190189 /nfs/dbraw/zinc/19/01/89/1331190189.db2.gz HZJJOIKEYZGINA-MRXNPFEDSA-N 2 1 349.544 3.050 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942720395 1332024742 /nfs/dbraw/zinc/02/47/42/1332024742.db2.gz IQHJBPOFEMDUNX-FXAWDEMLSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)C[C@@H]1C ZINC000943290107 1332139207 /nfs/dbraw/zinc/13/92/07/1332139207.db2.gz VENBNTQKVYHANI-DLBZAZTESA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)C[C@@H]1C ZINC000943290107 1332139210 /nfs/dbraw/zinc/13/92/10/1332139210.db2.gz VENBNTQKVYHANI-DLBZAZTESA-N 2 1 348.535 3.269 20 0 EGADMP CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946614601 1332862972 /nfs/dbraw/zinc/86/29/72/1332862972.db2.gz FDAOIXWASXBXNZ-IYBDPMFKSA-N 2 1 349.544 3.004 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947474088 1333142492 /nfs/dbraw/zinc/14/24/92/1333142492.db2.gz QGWREVRRANMNSY-WBVHZDCISA-N 2 1 340.471 3.192 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CCCC1CCC1 ZINC000947493058 1333146071 /nfs/dbraw/zinc/14/60/71/1333146071.db2.gz PSTSPMKHZXLNIB-IEBWSBKVSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CCC(C)(C)C ZINC000947494347 1333146704 /nfs/dbraw/zinc/14/67/04/1333146704.db2.gz XYNVJHCDRCIBOW-DLBZAZTESA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1CCCCC1 ZINC000947614860 1333193462 /nfs/dbraw/zinc/19/34/62/1333193462.db2.gz AZEWFQVELMHATN-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC1CCCCCC1 ZINC000947684946 1333223113 /nfs/dbraw/zinc/22/31/13/1333223113.db2.gz KMOQIVQWHJEWOZ-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947881873 1333289830 /nfs/dbraw/zinc/28/98/30/1333289830.db2.gz KNCWPAWZUHMWEY-HKUYNNGSSA-N 2 1 335.536 3.042 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947907265 1333301771 /nfs/dbraw/zinc/30/17/71/1333301771.db2.gz FXMLUGCGLAILBC-FXAWDEMLSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)[C@H](C)C1 ZINC000948044795 1333351845 /nfs/dbraw/zinc/35/18/45/1333351845.db2.gz SYQUWCBTCYORTD-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)[C@H](C)C1 ZINC000948044795 1333351849 /nfs/dbraw/zinc/35/18/49/1333351849.db2.gz SYQUWCBTCYORTD-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC000948389469 1333504838 /nfs/dbraw/zinc/50/48/38/1333504838.db2.gz SCJAFXRGGNYPLN-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CC3CCCCC3)CC2)CC[NH+]1C ZINC000948389469 1333504843 /nfs/dbraw/zinc/50/48/43/1333504843.db2.gz SCJAFXRGGNYPLN-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CC3CCCCC3)CC2)CC[NH+]1C ZINC000948389469 1333504845 /nfs/dbraw/zinc/50/48/45/1333504845.db2.gz SCJAFXRGGNYPLN-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000948416604 1333516583 /nfs/dbraw/zinc/51/65/83/1333516583.db2.gz JZHKBQDVEJLJAG-INIZCTEOSA-N 2 1 337.533 3.145 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948434530 1333523221 /nfs/dbraw/zinc/52/32/21/1333523221.db2.gz CBMYARPZCJSARE-ZWKOTPCHSA-N 2 1 344.503 3.040 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948434530 1333523225 /nfs/dbraw/zinc/52/32/25/1333523225.db2.gz CBMYARPZCJSARE-ZWKOTPCHSA-N 2 1 344.503 3.040 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948591480 1333588383 /nfs/dbraw/zinc/58/83/83/1333588383.db2.gz YFITXYRSKYFGCD-FUHWJXTLSA-N 2 1 342.487 3.307 20 0 EGADMP CCCC[N@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948621632 1333600884 /nfs/dbraw/zinc/60/08/84/1333600884.db2.gz SJYTXKWCNJNPOP-KRWDZBQOSA-N 2 1 328.460 3.061 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC000948634289 1333604830 /nfs/dbraw/zinc/60/48/30/1333604830.db2.gz VBNGLCGIWGIIGQ-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948829442 1333700992 /nfs/dbraw/zinc/70/09/92/1333700992.db2.gz NBPLSUWRPCOVLC-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948829442 1333700994 /nfs/dbraw/zinc/70/09/94/1333700994.db2.gz NBPLSUWRPCOVLC-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948829442 1333700996 /nfs/dbraw/zinc/70/09/96/1333700996.db2.gz NBPLSUWRPCOVLC-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC000949012299 1333765954 /nfs/dbraw/zinc/76/59/54/1333765954.db2.gz SQTGSHOTGZFMIH-UHFFFAOYSA-N 2 1 347.547 3.284 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC000949012299 1333765957 /nfs/dbraw/zinc/76/59/57/1333765957.db2.gz SQTGSHOTGZFMIH-UHFFFAOYSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[NH+](CC3CCC(C)(C)CC3)CC2)CC[N@H+]1C ZINC000949862550 1333947648 /nfs/dbraw/zinc/94/76/48/1333947648.db2.gz HPGLWZGIMWSOLU-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1C[NH+](CCCC2CCC2)C1 ZINC000950614190 1334097587 /nfs/dbraw/zinc/09/75/87/1334097587.db2.gz ALUFCGWJAHVAJI-UYAOXDASSA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1C[NH+](CCCC2CCC2)C1 ZINC000950614190 1334097589 /nfs/dbraw/zinc/09/75/89/1334097589.db2.gz ALUFCGWJAHVAJI-UYAOXDASSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H](C(=O)N1CC[NH+](CCCC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000951192582 1334203356 /nfs/dbraw/zinc/20/33/56/1334203356.db2.gz PPLZHHOIWNDTSF-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](CCCCCC)CC1 ZINC001113438765 1369428605 /nfs/dbraw/zinc/42/86/05/1369428605.db2.gz DUTQRLYQXDEZPQ-UHFFFAOYSA-N 2 1 325.541 3.223 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](CCCCCC)CC1 ZINC001113438765 1369428608 /nfs/dbraw/zinc/42/86/08/1369428608.db2.gz DUTQRLYQXDEZPQ-UHFFFAOYSA-N 2 1 325.541 3.223 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2=CCCCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968386802 1335915031 /nfs/dbraw/zinc/91/50/31/1335915031.db2.gz PPXDLUMEXPPJIB-YLJYHZDGSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1CC[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000968554888 1335960754 /nfs/dbraw/zinc/96/07/54/1335960754.db2.gz YIEYTMSHCJYCCQ-DOTOQJQBSA-N 2 1 346.519 3.024 20 0 EGADMP C[C@H]1CC[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000968554888 1335960756 /nfs/dbraw/zinc/96/07/56/1335960756.db2.gz YIEYTMSHCJYCCQ-DOTOQJQBSA-N 2 1 346.519 3.024 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000968644575 1335994901 /nfs/dbraw/zinc/99/49/01/1335994901.db2.gz BNXNSASQBPNBKV-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000968645369 1335995061 /nfs/dbraw/zinc/99/50/61/1335995061.db2.gz XOHCURYXBHWSOE-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC000968904384 1336085102 /nfs/dbraw/zinc/08/51/02/1336085102.db2.gz RKVHGWVFESKGRQ-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP O=C(NC[C@H]1CCCCC[N@H+]1CC1CCCC1)C12CCC[NH+]1CCC2 ZINC000968934443 1336095626 /nfs/dbraw/zinc/09/56/26/1336095626.db2.gz XEUBXBJBNGCEPV-LJQANCHMSA-N 2 1 347.547 3.166 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CCC2CCCC2)CC1 ZINC000969013622 1336118726 /nfs/dbraw/zinc/11/87/26/1336118726.db2.gz BINPYKBCNSNAQP-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(NC[C@@H]1CCCCC[N@H+]1CCCC1CCC1)C12CC[NH+](CC1)C2 ZINC000969118366 1336149811 /nfs/dbraw/zinc/14/98/11/1336149811.db2.gz NEPZMTWPZKADFL-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000970028637 1336272837 /nfs/dbraw/zinc/27/28/37/1336272837.db2.gz WGNUDGKCZHKTJO-PXNSSMCTSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000970028648 1336272994 /nfs/dbraw/zinc/27/29/94/1336272994.db2.gz WGNUDGKCZHKTJO-YLJYHZDGSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CC(CC)CC)CC1 ZINC001005475965 1336358147 /nfs/dbraw/zinc/35/81/47/1336358147.db2.gz LUXIUPVHXXOWAG-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H]1CC[N@H+](Cc2c(Br)ccnc2Cl)CC[C@H]1C[NH3+] ZINC001205639254 1370822532 /nfs/dbraw/zinc/82/25/32/1370822532.db2.gz YBHAPGITXNZPLO-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c(Br)ccnc2Cl)CC[C@H]1C[NH3+] ZINC001205639254 1370822537 /nfs/dbraw/zinc/82/25/37/1370822537.db2.gz YBHAPGITXNZPLO-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001005997707 1336435987 /nfs/dbraw/zinc/43/59/87/1336435987.db2.gz PUDUWELVPSUXQG-GOSISDBHSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001006398816 1336499450 /nfs/dbraw/zinc/49/94/50/1336499450.db2.gz GBLPBOZIVVHAGV-AZUAARDMSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH+](Cc2ccsc2)C1 ZINC001007500317 1336658796 /nfs/dbraw/zinc/65/87/96/1336658796.db2.gz RXZCXBVWPQWUQS-ROUUACIJSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001007500317 1336658798 /nfs/dbraw/zinc/65/87/98/1336658798.db2.gz RXZCXBVWPQWUQS-ROUUACIJSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC001007500317 1336658800 /nfs/dbraw/zinc/65/88/00/1336658800.db2.gz RXZCXBVWPQWUQS-ROUUACIJSA-N 2 1 349.544 3.092 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001007499813 1336658959 /nfs/dbraw/zinc/65/89/59/1336658959.db2.gz QNNDJGGMTGDHNN-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CC2CCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001007499813 1336658962 /nfs/dbraw/zinc/65/89/62/1336658962.db2.gz QNNDJGGMTGDHNN-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CC2CCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001007499813 1336658964 /nfs/dbraw/zinc/65/89/64/1336658964.db2.gz QNNDJGGMTGDHNN-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001007947703 1336737410 /nfs/dbraw/zinc/73/74/10/1336737410.db2.gz IMORRUPETCMIJL-LJQANCHMSA-N 2 1 348.450 3.037 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](CCC3CCCC3)C2)C1 ZINC001008274267 1336811811 /nfs/dbraw/zinc/81/18/11/1336811811.db2.gz FZOOGOQRWHYEFQ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@H+](CCC3CCCC3)C2)C1 ZINC001008274267 1336811813 /nfs/dbraw/zinc/81/18/13/1336811813.db2.gz FZOOGOQRWHYEFQ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCC3CCCC3)C2)C1 ZINC001008274267 1336811815 /nfs/dbraw/zinc/81/18/15/1336811815.db2.gz FZOOGOQRWHYEFQ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2CCC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001008278260 1336812845 /nfs/dbraw/zinc/81/28/45/1336812845.db2.gz WUQGCAWSGDKCCQ-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CC2CCC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001008278260 1336812848 /nfs/dbraw/zinc/81/28/48/1336812848.db2.gz WUQGCAWSGDKCCQ-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CC2CCC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001008278260 1336812851 /nfs/dbraw/zinc/81/28/51/1336812851.db2.gz WUQGCAWSGDKCCQ-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001008536960 1336877537 /nfs/dbraw/zinc/87/75/37/1336877537.db2.gz CCQJGDCDCLYMAP-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001008536960 1336877540 /nfs/dbraw/zinc/87/75/40/1336877540.db2.gz CCQJGDCDCLYMAP-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001008536960 1336877543 /nfs/dbraw/zinc/87/75/43/1336877543.db2.gz CCQJGDCDCLYMAP-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001009627199 1337049419 /nfs/dbraw/zinc/04/94/19/1337049419.db2.gz KVJQPBXAVQHIKY-LJQANCHMSA-N 2 1 343.515 3.133 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001009636624 1337050486 /nfs/dbraw/zinc/05/04/86/1337050486.db2.gz NOYMIOZQQMXHLJ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001009636624 1337050489 /nfs/dbraw/zinc/05/04/89/1337050489.db2.gz NOYMIOZQQMXHLJ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001009636624 1337050492 /nfs/dbraw/zinc/05/04/92/1337050492.db2.gz NOYMIOZQQMXHLJ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001009637557 1337050834 /nfs/dbraw/zinc/05/08/34/1337050834.db2.gz PCMBOKLVMFGSBA-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001009637557 1337050836 /nfs/dbraw/zinc/05/08/36/1337050836.db2.gz PCMBOKLVMFGSBA-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001009637557 1337050839 /nfs/dbraw/zinc/05/08/39/1337050839.db2.gz PCMBOKLVMFGSBA-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009680160 1337058843 /nfs/dbraw/zinc/05/88/43/1337058843.db2.gz FMVAZJPRWLCRNI-DLBZAZTESA-N 2 1 349.519 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001014399242 1337767153 /nfs/dbraw/zinc/76/71/53/1337767153.db2.gz BQTXJYHUJWSTGF-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001014399242 1337767157 /nfs/dbraw/zinc/76/71/57/1337767157.db2.gz BQTXJYHUJWSTGF-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001014399242 1337767160 /nfs/dbraw/zinc/76/71/60/1337767160.db2.gz BQTXJYHUJWSTGF-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CC[N@@H+]1C[C@@H]2C[NH+](CCCc3ccc(Br)cc3)C[C@@H]2C1 ZINC001207322917 1371361590 /nfs/dbraw/zinc/36/15/90/1371361590.db2.gz JOHZUPRDWFAVQX-IYBDPMFKSA-N 2 1 337.305 3.265 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014630165 1337853128 /nfs/dbraw/zinc/85/31/28/1337853128.db2.gz MRIWOGBJTAQUMI-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001014630165 1337853130 /nfs/dbraw/zinc/85/31/30/1337853130.db2.gz MRIWOGBJTAQUMI-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001014630165 1337853132 /nfs/dbraw/zinc/85/31/32/1337853132.db2.gz MRIWOGBJTAQUMI-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001014720296 1337882883 /nfs/dbraw/zinc/88/28/83/1337882883.db2.gz CRKFHIBQIOOEGQ-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001014720296 1337882885 /nfs/dbraw/zinc/88/28/85/1337882885.db2.gz CRKFHIBQIOOEGQ-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001014720296 1337882888 /nfs/dbraw/zinc/88/28/88/1337882888.db2.gz CRKFHIBQIOOEGQ-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001014903900 1337944201 /nfs/dbraw/zinc/94/42/01/1337944201.db2.gz BWVHIYJOCXQHOV-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CC2CCCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001014903895 1337944632 /nfs/dbraw/zinc/94/46/32/1337944632.db2.gz BWVHIYJOCXQHOV-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[N@@H+](CCCC3CCC3)C2)ccc2c[nH+]cn21 ZINC001015034204 1337997550 /nfs/dbraw/zinc/99/75/50/1337997550.db2.gz SVAQZDJQSMDUSQ-KRWDZBQOSA-N 2 1 340.471 3.027 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015501245 1338160684 /nfs/dbraw/zinc/16/06/84/1338160684.db2.gz YIGFZGSQJXQYLI-QZTJIDSGSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015501247 1338160769 /nfs/dbraw/zinc/16/07/69/1338160769.db2.gz YIGFZGSQJXQYLI-ROUUACIJSA-N 2 1 343.515 3.121 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](CCC3CCCCC3)C2)C1 ZINC001015596260 1338200105 /nfs/dbraw/zinc/20/01/05/1338200105.db2.gz AEFCILHQKURZIY-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](CCC3CCCCC3)C2)C1 ZINC001015596260 1338200111 /nfs/dbraw/zinc/20/01/11/1338200111.db2.gz AEFCILHQKURZIY-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001015596260 1338200115 /nfs/dbraw/zinc/20/01/15/1338200115.db2.gz AEFCILHQKURZIY-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603791 1338205069 /nfs/dbraw/zinc/20/50/69/1338205069.db2.gz YIXYAIQHIAFTFJ-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603791 1338205074 /nfs/dbraw/zinc/20/50/74/1338205074.db2.gz YIXYAIQHIAFTFJ-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603791 1338205077 /nfs/dbraw/zinc/20/50/77/1338205077.db2.gz YIXYAIQHIAFTFJ-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001015796037 1338315749 /nfs/dbraw/zinc/31/57/49/1338315749.db2.gz UZYIHMWKJFFSAP-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001016333762 1338553315 /nfs/dbraw/zinc/55/33/15/1338553315.db2.gz MKGBBCSINKSLQD-LJQANCHMSA-N 2 1 343.515 3.133 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CC3=CCCCC3)C2)c1 ZINC001016333881 1338553487 /nfs/dbraw/zinc/55/34/87/1338553487.db2.gz ZRTCAXDKLNJJJW-FQEVSTJZSA-N 2 1 341.499 3.053 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCC1CCCCC1)CC2 ZINC001016543059 1338640146 /nfs/dbraw/zinc/64/01/46/1338640146.db2.gz LVMMGGQUXWLLGO-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016660789 1338682315 /nfs/dbraw/zinc/68/23/15/1338682315.db2.gz BHIORCLZNDRQNH-RBUKOAKNSA-N 2 1 347.547 3.164 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016862394 1338751398 /nfs/dbraw/zinc/75/13/98/1338751398.db2.gz XVBLUNMSJYCVNQ-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 ZINC001017122077 1338879880 /nfs/dbraw/zinc/87/98/80/1338879880.db2.gz YYXIMKLRERMPSZ-SFHVURJKSA-N 2 1 344.503 3.013 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001017152022 1338901781 /nfs/dbraw/zinc/90/17/81/1338901781.db2.gz KDMQYNJCPJLTNZ-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001017152022 1338901787 /nfs/dbraw/zinc/90/17/87/1338901787.db2.gz KDMQYNJCPJLTNZ-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001017152022 1338901792 /nfs/dbraw/zinc/90/17/92/1338901792.db2.gz KDMQYNJCPJLTNZ-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001017208439 1338955081 /nfs/dbraw/zinc/95/50/81/1338955081.db2.gz HHJUHRPGZQPWMR-QZTJIDSGSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001017208439 1338955083 /nfs/dbraw/zinc/95/50/83/1338955083.db2.gz HHJUHRPGZQPWMR-QZTJIDSGSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001017208439 1338955086 /nfs/dbraw/zinc/95/50/86/1338955086.db2.gz HHJUHRPGZQPWMR-QZTJIDSGSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CC2)C1 ZINC001017246063 1338976676 /nfs/dbraw/zinc/97/66/76/1338976676.db2.gz LWDDCQMFGQLKSJ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001017246063 1338976678 /nfs/dbraw/zinc/97/66/78/1338976678.db2.gz LWDDCQMFGQLKSJ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001017246063 1338976680 /nfs/dbraw/zinc/97/66/80/1338976680.db2.gz LWDDCQMFGQLKSJ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1)[NH+]1CCCCC1 ZINC001017265806 1338991277 /nfs/dbraw/zinc/99/12/77/1338991277.db2.gz DIFONFCPVZNXTG-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@H]([NH2+]CC2CCCC2)C1 ZINC001018851169 1339738411 /nfs/dbraw/zinc/73/84/11/1339738411.db2.gz NKMRSOOSRCIVGP-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028114547 1340436244 /nfs/dbraw/zinc/43/62/44/1340436244.db2.gz IRTLEJYPIOIUJL-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCC2)cc1 ZINC001028202775 1340481927 /nfs/dbraw/zinc/48/19/27/1340481927.db2.gz HJKBPDQZYBOEIX-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCC[N@H+]2CCC(C)(C)C)c1 ZINC001028333382 1340571685 /nfs/dbraw/zinc/57/16/85/1340571685.db2.gz LKDSSSWDROIABZ-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001028579712 1340712503 /nfs/dbraw/zinc/71/25/03/1340712503.db2.gz HJFDLUIPLICWOM-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001028579712 1340712505 /nfs/dbraw/zinc/71/25/05/1340712505.db2.gz HJFDLUIPLICWOM-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001028579712 1340712506 /nfs/dbraw/zinc/71/25/06/1340712506.db2.gz HJFDLUIPLICWOM-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+](CC3CCCCCC3)C2)CC[N@H+]1C ZINC001028762374 1340797920 /nfs/dbraw/zinc/79/79/20/1340797920.db2.gz KWFJJAOEUOGHBX-IHPCNDPISA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001028762374 1340797922 /nfs/dbraw/zinc/79/79/22/1340797922.db2.gz KWFJJAOEUOGHBX-IHPCNDPISA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001028762374 1340797925 /nfs/dbraw/zinc/79/79/25/1340797925.db2.gz KWFJJAOEUOGHBX-IHPCNDPISA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001028845587 1340856986 /nfs/dbraw/zinc/85/69/86/1340856986.db2.gz NCNCPAZYPXWIAF-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001028845587 1340856987 /nfs/dbraw/zinc/85/69/87/1340856987.db2.gz NCNCPAZYPXWIAF-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001028845587 1340856988 /nfs/dbraw/zinc/85/69/88/1340856988.db2.gz NCNCPAZYPXWIAF-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]([NH2+]CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001029108300 1340931590 /nfs/dbraw/zinc/93/15/90/1340931590.db2.gz ZCBJUBMCTLXUOX-OXJNMPFZSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001029111351 1340932393 /nfs/dbraw/zinc/93/23/93/1340932393.db2.gz GTBIZTHTFWJTHX-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)CC ZINC001029314274 1340970628 /nfs/dbraw/zinc/97/06/28/1340970628.db2.gz MDDQLVZIEAJQIF-XWTMOSNGSA-N 2 1 346.519 3.118 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001029314274 1340970629 /nfs/dbraw/zinc/97/06/29/1340970629.db2.gz MDDQLVZIEAJQIF-XWTMOSNGSA-N 2 1 346.519 3.118 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001029595586 1341018525 /nfs/dbraw/zinc/01/85/25/1341018525.db2.gz MZUMCKYUTJOEQD-TZRIAGMCSA-N 2 1 347.547 3.115 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001029595586 1341018526 /nfs/dbraw/zinc/01/85/26/1341018526.db2.gz MZUMCKYUTJOEQD-TZRIAGMCSA-N 2 1 347.547 3.115 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001029595586 1341018527 /nfs/dbraw/zinc/01/85/27/1341018527.db2.gz MZUMCKYUTJOEQD-TZRIAGMCSA-N 2 1 347.547 3.115 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC001030010118 1341156839 /nfs/dbraw/zinc/15/68/39/1341156839.db2.gz DTEJISJAVZLGFR-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001030010118 1341156840 /nfs/dbraw/zinc/15/68/40/1341156840.db2.gz DTEJISJAVZLGFR-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001030010118 1341156841 /nfs/dbraw/zinc/15/68/41/1341156841.db2.gz DTEJISJAVZLGFR-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)c1ccccc1Cl ZINC001030020167 1341159729 /nfs/dbraw/zinc/15/97/29/1341159729.db2.gz KXAYGRSYIDVWTH-RLFYNMQTSA-N 2 1 349.906 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1C[NH+](CCC2CCCCC2)C1 ZINC001030441619 1341187886 /nfs/dbraw/zinc/18/78/86/1341187886.db2.gz CFKBFBJVCNKFGX-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC2CCC(C)CC2)C1 ZINC001031235263 1341301242 /nfs/dbraw/zinc/30/12/42/1341301242.db2.gz PWYQVWKSZDRGBN-AFMYVXGZSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC2C[NH+](CC3CCCCC3)C2)o1 ZINC001031467332 1341351465 /nfs/dbraw/zinc/35/14/65/1341351465.db2.gz CGYJHWUYUXQAKD-UHFFFAOYSA-N 2 1 347.503 3.116 20 0 EGADMP O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001031766736 1341399259 /nfs/dbraw/zinc/39/92/59/1341399259.db2.gz MLFIIVOEAYNFRK-UXHICEINSA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001032206223 1341472881 /nfs/dbraw/zinc/47/28/81/1341472881.db2.gz VJQXPAAIOUZAHC-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC1CCCC1 ZINC001032802639 1341618704 /nfs/dbraw/zinc/61/87/04/1341618704.db2.gz IBAGQVLHYZTNIY-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCCC1 ZINC001032802639 1341618705 /nfs/dbraw/zinc/61/87/05/1341618705.db2.gz IBAGQVLHYZTNIY-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCCC1 ZINC001032802639 1341618706 /nfs/dbraw/zinc/61/87/06/1341618706.db2.gz IBAGQVLHYZTNIY-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033081899 1341718113 /nfs/dbraw/zinc/71/81/13/1341718113.db2.gz NNNROGJQZJQULB-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033081899 1341718114 /nfs/dbraw/zinc/71/81/14/1341718114.db2.gz NNNROGJQZJQULB-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033081899 1341718115 /nfs/dbraw/zinc/71/81/15/1341718115.db2.gz NNNROGJQZJQULB-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033318135 1341779374 /nfs/dbraw/zinc/77/93/74/1341779374.db2.gz HBANBOFXLQXNCV-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCCC[NH+]1C1CCCC1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033365093 1341797220 /nfs/dbraw/zinc/79/72/20/1341797220.db2.gz KAUVESPNYMKIAH-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001033365093 1341797222 /nfs/dbraw/zinc/79/72/22/1341797222.db2.gz KAUVESPNYMKIAH-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001033365093 1341797223 /nfs/dbraw/zinc/79/72/23/1341797223.db2.gz KAUVESPNYMKIAH-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033471577 1341839487 /nfs/dbraw/zinc/83/94/87/1341839487.db2.gz LLRIOUONCDYZOC-MSOLQXFVSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001033471577 1341839488 /nfs/dbraw/zinc/83/94/88/1341839488.db2.gz LLRIOUONCDYZOC-MSOLQXFVSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001033471577 1341839489 /nfs/dbraw/zinc/83/94/89/1341839489.db2.gz LLRIOUONCDYZOC-MSOLQXFVSA-N 2 1 349.544 3.044 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC(C)C)C1 ZINC001033575357 1341880696 /nfs/dbraw/zinc/88/06/96/1341880696.db2.gz QYECUEUWJZZOMD-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001033575357 1341880697 /nfs/dbraw/zinc/88/06/97/1341880697.db2.gz QYECUEUWJZZOMD-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033575357 1341880699 /nfs/dbraw/zinc/88/06/99/1341880699.db2.gz QYECUEUWJZZOMD-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033664028 1341934443 /nfs/dbraw/zinc/93/44/43/1341934443.db2.gz BLUUZWHVLSPOKV-QAPCUYQASA-N 2 1 349.906 3.030 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033664028 1341934446 /nfs/dbraw/zinc/93/44/46/1341934446.db2.gz BLUUZWHVLSPOKV-QAPCUYQASA-N 2 1 349.906 3.030 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033684479 1341949865 /nfs/dbraw/zinc/94/98/65/1341949865.db2.gz GGKIDSUXUYAWAM-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033684479 1341949868 /nfs/dbraw/zinc/94/98/68/1341949868.db2.gz GGKIDSUXUYAWAM-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033684479 1341949869 /nfs/dbraw/zinc/94/98/69/1341949869.db2.gz GGKIDSUXUYAWAM-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CC3=CCCCC3)C2)CC[N@H+]1C ZINC001033839712 1342036792 /nfs/dbraw/zinc/03/67/92/1342036792.db2.gz UIPPMZUOTBNCEL-HSALFYBXSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@H+](CC3=CCCCC3)C2)CC[NH+]1C ZINC001033839712 1342036793 /nfs/dbraw/zinc/03/67/93/1342036793.db2.gz UIPPMZUOTBNCEL-HSALFYBXSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)CC[NH+]1C ZINC001033839712 1342036796 /nfs/dbraw/zinc/03/67/96/1342036796.db2.gz UIPPMZUOTBNCEL-HSALFYBXSA-N 2 1 347.547 3.140 20 0 EGADMP CCCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034050606 1342191436 /nfs/dbraw/zinc/19/14/36/1342191436.db2.gz NTIKEBJTBJDMSY-KRWDZBQOSA-N 2 1 349.519 3.458 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](CCC2CC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001034250018 1342347048 /nfs/dbraw/zinc/34/70/48/1342347048.db2.gz NYIDZCRAPFCBRQ-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCCC[NH+](CCC2CC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001034250018 1342347049 /nfs/dbraw/zinc/34/70/49/1342347049.db2.gz NYIDZCRAPFCBRQ-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCCC[NH+](CCC2CC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001034250018 1342347050 /nfs/dbraw/zinc/34/70/50/1342347050.db2.gz NYIDZCRAPFCBRQ-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](CC2=CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001034291579 1342377121 /nfs/dbraw/zinc/37/71/21/1342377121.db2.gz ZYPPNRGTOGGPFM-LJQANCHMSA-N 2 1 345.531 3.086 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CCC3=CCCCC3)C2)CC1 ZINC001034378421 1342448595 /nfs/dbraw/zinc/44/85/95/1342448595.db2.gz SDFZCFXRKLAUMV-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034378576 1342448602 /nfs/dbraw/zinc/44/86/02/1342448602.db2.gz VOZICKZWTDQQRW-XLIONFOSSA-N 2 1 343.515 3.060 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001034464687 1342519451 /nfs/dbraw/zinc/51/94/51/1342519451.db2.gz ZWTBTNFIUVWUKB-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034471535 1342526395 /nfs/dbraw/zinc/52/63/95/1342526395.db2.gz DUJOHGSAEUEOTJ-IBGZPJMESA-N 2 1 337.552 3.124 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@@H+](CCC2CCCCCC2)C1 ZINC001034528095 1342583764 /nfs/dbraw/zinc/58/37/64/1342583764.db2.gz JUSUIFAWJQRXRM-FQEVSTJZSA-N 2 1 349.563 3.413 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCCC[N@@H+](CCC2CC2)C1 ZINC001034543170 1342603879 /nfs/dbraw/zinc/60/38/79/1342603879.db2.gz ZGNMZIIWFWLCOS-IBGZPJMESA-N 2 1 343.515 3.133 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001034659130 1342676211 /nfs/dbraw/zinc/67/62/11/1342676211.db2.gz NGOOILFEEXBMSQ-VAMGGRTRSA-N 2 1 347.547 3.378 20 0 EGADMP CC1CCC(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001034673971 1342685479 /nfs/dbraw/zinc/68/54/79/1342685479.db2.gz IGJWIPQVIWTAMR-PWKSQPCKSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1 ZINC001034736773 1342728791 /nfs/dbraw/zinc/72/87/91/1342728791.db2.gz BVCUCQKKXDSIDS-LEAZDLGRSA-N 2 1 347.547 3.092 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1 ZINC001034775994 1342753814 /nfs/dbraw/zinc/75/38/14/1342753814.db2.gz YFBSPZJVTJNDCI-UFYCRDLUSA-N 2 1 349.563 3.458 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001034795829 1342762859 /nfs/dbraw/zinc/76/28/59/1342762859.db2.gz UQLKSHBVKUJTSB-KZNAEPCWSA-N 2 1 349.544 3.140 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001035028029 1342884929 /nfs/dbraw/zinc/88/49/29/1342884929.db2.gz HYMKWWMEMXIEPQ-KVPLUYHFSA-N 2 1 343.515 3.059 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001035195960 1343010020 /nfs/dbraw/zinc/01/00/20/1343010020.db2.gz MADFVANASXOIBL-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035195960 1343010025 /nfs/dbraw/zinc/01/00/25/1343010025.db2.gz MADFVANASXOIBL-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001035195960 1343010028 /nfs/dbraw/zinc/01/00/28/1343010028.db2.gz MADFVANASXOIBL-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC001035217347 1343037710 /nfs/dbraw/zinc/03/77/10/1343037710.db2.gz QTWMIBGBRFZQTF-QYZOEREBSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC001035217347 1343037713 /nfs/dbraw/zinc/03/77/13/1343037713.db2.gz QTWMIBGBRFZQTF-QYZOEREBSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC001035217347 1343037718 /nfs/dbraw/zinc/03/77/18/1343037718.db2.gz QTWMIBGBRFZQTF-QYZOEREBSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035810211 1343210133 /nfs/dbraw/zinc/21/01/33/1343210133.db2.gz JSNFHFGHCHUQFF-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036834353 1343773293 /nfs/dbraw/zinc/77/32/93/1343773293.db2.gz ISNOGLQTIZRKOT-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036834353 1343773295 /nfs/dbraw/zinc/77/32/95/1343773295.db2.gz ISNOGLQTIZRKOT-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001037923910 1344183659 /nfs/dbraw/zinc/18/36/59/1344183659.db2.gz GDCCAAKDNIEJAZ-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001038320197 1344378275 /nfs/dbraw/zinc/37/82/75/1344378275.db2.gz HGXYLUYJENJQSG-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001038320197 1344378278 /nfs/dbraw/zinc/37/82/78/1344378278.db2.gz HGXYLUYJENJQSG-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCCC1CCCC1 ZINC001038320197 1344378282 /nfs/dbraw/zinc/37/82/82/1344378282.db2.gz HGXYLUYJENJQSG-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CC1=CCCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038354559 1344395227 /nfs/dbraw/zinc/39/52/27/1344395227.db2.gz UMLWEMCICTUOSQ-VQTJNVASSA-N 2 1 345.531 3.084 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CC1=CCCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038354559 1344395233 /nfs/dbraw/zinc/39/52/33/1344395233.db2.gz UMLWEMCICTUOSQ-VQTJNVASSA-N 2 1 345.531 3.084 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CC1=CCCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038354559 1344395239 /nfs/dbraw/zinc/39/52/39/1344395239.db2.gz UMLWEMCICTUOSQ-VQTJNVASSA-N 2 1 345.531 3.084 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038406158 1344414399 /nfs/dbraw/zinc/41/43/99/1344414399.db2.gz ASWNNJILUAFMNI-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCCC1 ZINC001038406158 1344414402 /nfs/dbraw/zinc/41/44/02/1344414402.db2.gz ASWNNJILUAFMNI-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001038406158 1344414411 /nfs/dbraw/zinc/41/44/11/1344414411.db2.gz ASWNNJILUAFMNI-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+]2CC2CCCCCC2)C1 ZINC001038621664 1344509518 /nfs/dbraw/zinc/50/95/18/1344509518.db2.gz GHOBFTMPYXNUIF-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CC2CCCCCC2)C1 ZINC001038621664 1344509519 /nfs/dbraw/zinc/50/95/19/1344509519.db2.gz GHOBFTMPYXNUIF-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@H+]2CC2CCCCCC2)C1 ZINC001038621664 1344509521 /nfs/dbraw/zinc/50/95/21/1344509521.db2.gz GHOBFTMPYXNUIF-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140095 1344820557 /nfs/dbraw/zinc/82/05/57/1344820557.db2.gz QLTGOTYIGVCTED-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039140095 1344820562 /nfs/dbraw/zinc/82/05/62/1344820562.db2.gz QLTGOTYIGVCTED-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039140095 1344820573 /nfs/dbraw/zinc/82/05/73/1344820573.db2.gz QLTGOTYIGVCTED-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001039141136 1344821180 /nfs/dbraw/zinc/82/11/80/1344821180.db2.gz QWUDRSYHRZQMQF-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001039141136 1344821183 /nfs/dbraw/zinc/82/11/83/1344821183.db2.gz QWUDRSYHRZQMQF-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001039141136 1344821187 /nfs/dbraw/zinc/82/11/87/1344821187.db2.gz QWUDRSYHRZQMQF-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039215909 1344932633 /nfs/dbraw/zinc/93/26/33/1344932633.db2.gz WWNILXOCJAFJPZ-ICSRJNTNSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039215909 1344932637 /nfs/dbraw/zinc/93/26/37/1344932637.db2.gz WWNILXOCJAFJPZ-ICSRJNTNSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039215909 1344932641 /nfs/dbraw/zinc/93/26/41/1344932641.db2.gz WWNILXOCJAFJPZ-ICSRJNTNSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039216646 1344933254 /nfs/dbraw/zinc/93/32/54/1344933254.db2.gz CEKDJKGRCQDADS-HKUYNNGSSA-N 2 1 340.471 3.061 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241748 1344967022 /nfs/dbraw/zinc/96/70/22/1344967022.db2.gz IBEJKDXEFGNFDL-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039258572 1344986716 /nfs/dbraw/zinc/98/67/16/1344986716.db2.gz XZVCSEVASYXIBT-UXHICEINSA-N 2 1 349.563 3.218 20 0 EGADMP CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001039397620 1345045322 /nfs/dbraw/zinc/04/53/22/1345045322.db2.gz QPCRZKGPZYTRQJ-MSOLQXFVSA-N 2 1 335.536 3.115 20 0 EGADMP CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001039397620 1345045325 /nfs/dbraw/zinc/04/53/25/1345045325.db2.gz QPCRZKGPZYTRQJ-MSOLQXFVSA-N 2 1 335.536 3.115 20 0 EGADMP CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001039397620 1345045326 /nfs/dbraw/zinc/04/53/26/1345045326.db2.gz QPCRZKGPZYTRQJ-MSOLQXFVSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001039447748 1345072264 /nfs/dbraw/zinc/07/22/64/1345072264.db2.gz IGHXBQAXWZIPAW-HSALFYBXSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001039447748 1345072265 /nfs/dbraw/zinc/07/22/65/1345072265.db2.gz IGHXBQAXWZIPAW-HSALFYBXSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001039447748 1345072268 /nfs/dbraw/zinc/07/22/68/1345072268.db2.gz IGHXBQAXWZIPAW-HSALFYBXSA-N 2 1 349.563 3.361 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001039652849 1345153392 /nfs/dbraw/zinc/15/33/92/1345153392.db2.gz RNCDRJGUMLOUCZ-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001039652849 1345153395 /nfs/dbraw/zinc/15/33/95/1345153395.db2.gz RNCDRJGUMLOUCZ-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001039652849 1345153400 /nfs/dbraw/zinc/15/34/00/1345153400.db2.gz RNCDRJGUMLOUCZ-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001039914428 1345245237 /nfs/dbraw/zinc/24/52/37/1345245237.db2.gz PRAOEGDOAVNJSZ-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001039914428 1345245241 /nfs/dbraw/zinc/24/52/41/1345245241.db2.gz PRAOEGDOAVNJSZ-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001039914428 1345245244 /nfs/dbraw/zinc/24/52/44/1345245244.db2.gz PRAOEGDOAVNJSZ-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040393319 1345473381 /nfs/dbraw/zinc/47/33/81/1345473381.db2.gz ATAAJECZRMFCEQ-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001040393319 1345473386 /nfs/dbraw/zinc/47/33/86/1345473386.db2.gz ATAAJECZRMFCEQ-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001040393319 1345473388 /nfs/dbraw/zinc/47/33/88/1345473388.db2.gz ATAAJECZRMFCEQ-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040432929 1345495845 /nfs/dbraw/zinc/49/58/45/1345495845.db2.gz QIURGPGLYNEKLJ-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040432929 1345495846 /nfs/dbraw/zinc/49/58/46/1345495846.db2.gz QIURGPGLYNEKLJ-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433185 1345496197 /nfs/dbraw/zinc/49/61/97/1345496197.db2.gz UIDIBSZPGVPQJC-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@]3(C2)CCC[NH+](CCC(C)(C)C)C3)C1 ZINC001040493952 1345519873 /nfs/dbraw/zinc/51/98/73/1345519873.db2.gz RJVKEOJLPXOEBU-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@]3(C2)CCC[N@H+](CCC(C)(C)C)C3)C1 ZINC001040493952 1345519875 /nfs/dbraw/zinc/51/98/75/1345519875.db2.gz RJVKEOJLPXOEBU-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC(C)(C)C)C3)C1 ZINC001040493952 1345519877 /nfs/dbraw/zinc/51/98/77/1345519877.db2.gz RJVKEOJLPXOEBU-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545416 1345539807 /nfs/dbraw/zinc/53/98/07/1345539807.db2.gz PRDAJFSLSLKVJY-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)CC1 ZINC001040705868 1345568095 /nfs/dbraw/zinc/56/80/95/1345568095.db2.gz LZPFXAVROLBSDH-QGZVFWFLSA-N 2 1 346.519 3.121 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC2(C1)CC[NH+](C(C)C)CC2 ZINC001040706216 1345568138 /nfs/dbraw/zinc/56/81/38/1345568138.db2.gz PSZCPSMUPBYFLP-QGZVFWFLSA-N 2 1 346.519 3.120 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001040849290 1345588015 /nfs/dbraw/zinc/58/80/15/1345588015.db2.gz PSYNOOCBPZVEIL-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041286708 1345694482 /nfs/dbraw/zinc/69/44/82/1345694482.db2.gz MLKLUFAFMVPYTE-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433180 1345726735 /nfs/dbraw/zinc/72/67/35/1345726735.db2.gz WBMIXQPZOQAWRC-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041433180 1345726737 /nfs/dbraw/zinc/72/67/37/1345726737.db2.gz WBMIXQPZOQAWRC-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041433180 1345726741 /nfs/dbraw/zinc/72/67/41/1345726741.db2.gz WBMIXQPZOQAWRC-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+]1CCC(CC(=O)N2CC[C@@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)CC1 ZINC001041725673 1345832719 /nfs/dbraw/zinc/83/27/19/1345832719.db2.gz PNPBGFWFXDFRJZ-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845495 1345871539 /nfs/dbraw/zinc/87/15/39/1345871539.db2.gz FSBUJQJZVIOOJX-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC(CC(=O)N2CC[C@@H]3CC[N@@H+](CCC(C)(C)C)[C@@H]3C2)CC1 ZINC001042257013 1346007480 /nfs/dbraw/zinc/00/74/80/1346007480.db2.gz CKKPCOYTKSBLTN-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP Clc1ccc(Cl)c(C[N@@H+]2CCOCC3(CC[NH2+]CC3)C2)c1 ZINC001222401509 1373838287 /nfs/dbraw/zinc/83/82/87/1373838287.db2.gz UTIDYAPRSALQFP-UHFFFAOYSA-N 2 1 329.271 3.195 20 0 EGADMP Clc1ccc(Cl)c(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c1 ZINC001222401509 1373838294 /nfs/dbraw/zinc/83/82/94/1373838294.db2.gz UTIDYAPRSALQFP-UHFFFAOYSA-N 2 1 329.271 3.195 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C[C@H]1C ZINC001044684373 1346402945 /nfs/dbraw/zinc/40/29/45/1346402945.db2.gz JISTXJUDABWRGH-VQIMIIECSA-N 2 1 344.503 3.051 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)C[C@@H]1C ZINC001044759927 1346422458 /nfs/dbraw/zinc/42/24/58/1346422458.db2.gz MWXJXUXCKMHCAM-WMZOPIPTSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H]([NH2+]CCC2CC2)C[C@H]1C ZINC001044768330 1346424615 /nfs/dbraw/zinc/42/46/15/1346424615.db2.gz VDSNCGDUDMDRND-SJLPKXTDSA-N 2 1 346.519 3.166 20 0 EGADMP Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C(C)C)cs1 ZINC001045034233 1346483897 /nfs/dbraw/zinc/48/38/97/1346483897.db2.gz KKHVRMOMXROUAT-ROUUACIJSA-N 2 1 349.544 3.010 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001045068773 1346489257 /nfs/dbraw/zinc/48/92/57/1346489257.db2.gz QINOCNFQKKWASV-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045068447 1346489412 /nfs/dbraw/zinc/48/94/12/1346489412.db2.gz LZRHODAFDCDKGM-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001045390139 1346580722 /nfs/dbraw/zinc/58/07/22/1346580722.db2.gz ORVNDXCNNRCYBH-MOPGFXCFSA-N 2 1 343.515 3.203 20 0 EGADMP CC1(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](CC2CC2)CC1 ZINC001045442244 1346594618 /nfs/dbraw/zinc/59/46/18/1346594618.db2.gz PXRHAVZDJKMNQV-SFHVURJKSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001045776625 1346695839 /nfs/dbraw/zinc/69/58/39/1346695839.db2.gz YYSMFRFRQBKSJM-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001045776625 1346695842 /nfs/dbraw/zinc/69/58/42/1346695842.db2.gz YYSMFRFRQBKSJM-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001045776625 1346695843 /nfs/dbraw/zinc/69/58/43/1346695843.db2.gz YYSMFRFRQBKSJM-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1)C1CCC1 ZINC001045794872 1346700341 /nfs/dbraw/zinc/70/03/41/1346700341.db2.gz DFDDBWNPBHRBID-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1)C1CCC1 ZINC001045794872 1346700345 /nfs/dbraw/zinc/70/03/45/1346700345.db2.gz DFDDBWNPBHRBID-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1)C1CCC1 ZINC001045794872 1346700347 /nfs/dbraw/zinc/70/03/47/1346700347.db2.gz DFDDBWNPBHRBID-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1)[NH+](C)C ZINC001045849628 1346719968 /nfs/dbraw/zinc/71/99/68/1346719968.db2.gz PTHUSYIWHCSNLK-AABGKKOBSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001045847632 1346720160 /nfs/dbraw/zinc/72/01/60/1346720160.db2.gz LMPVDBZZGMHFAG-SXLOBPIMSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001045847632 1346720161 /nfs/dbraw/zinc/72/01/61/1346720161.db2.gz LMPVDBZZGMHFAG-SXLOBPIMSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001045847632 1346720163 /nfs/dbraw/zinc/72/01/63/1346720163.db2.gz LMPVDBZZGMHFAG-SXLOBPIMSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CC2CCCCCC2)C1 ZINC001046314293 1346931317 /nfs/dbraw/zinc/93/13/17/1346931317.db2.gz AXRZALJCFNLNLC-TZIWHRDSSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CC2CCCCCC2)C1 ZINC001046314293 1346931319 /nfs/dbraw/zinc/93/13/19/1346931319.db2.gz AXRZALJCFNLNLC-TZIWHRDSSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CC2CCCCCC2)C1 ZINC001046314293 1346931323 /nfs/dbraw/zinc/93/13/23/1346931323.db2.gz AXRZALJCFNLNLC-TZIWHRDSSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCC(C)(C)C)C1 ZINC001132409648 1375359001 /nfs/dbraw/zinc/35/90/01/1375359001.db2.gz CIIJJGSHRLWEJL-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC(C)(C)C)C1 ZINC001132409648 1375359003 /nfs/dbraw/zinc/35/90/03/1375359003.db2.gz CIIJJGSHRLWEJL-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001047244847 1347270417 /nfs/dbraw/zinc/27/04/17/1347270417.db2.gz VNCIMLFYMWLQTO-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700561 1357350529 /nfs/dbraw/zinc/35/05/29/1357350529.db2.gz DBLMJXBQMZUYIV-WSTZPKSXSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001079700561 1357350535 /nfs/dbraw/zinc/35/05/35/1357350535.db2.gz DBLMJXBQMZUYIV-WSTZPKSXSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001079700561 1357350539 /nfs/dbraw/zinc/35/05/39/1357350539.db2.gz DBLMJXBQMZUYIV-WSTZPKSXSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001048294287 1347511152 /nfs/dbraw/zinc/51/11/52/1347511152.db2.gz DVCONGBPDJUCJC-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001048526815 1347578135 /nfs/dbraw/zinc/57/81/35/1347578135.db2.gz MRKBWMHZKZGYLC-IYWMVGAKSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001048526815 1347578138 /nfs/dbraw/zinc/57/81/38/1347578138.db2.gz MRKBWMHZKZGYLC-IYWMVGAKSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001048526815 1347578140 /nfs/dbraw/zinc/57/81/40/1347578140.db2.gz MRKBWMHZKZGYLC-IYWMVGAKSA-N 2 1 347.547 3.019 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001048545534 1347587263 /nfs/dbraw/zinc/58/72/63/1347587263.db2.gz BDWQYIIIRQNCQD-VBUUOAMHSA-N 2 1 340.471 3.107 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048573880 1347600245 /nfs/dbraw/zinc/60/02/45/1347600245.db2.gz HEAQNMZOSBZAAU-OBKDMQGPSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[N@@H+]31)C2 ZINC001048573880 1347600246 /nfs/dbraw/zinc/60/02/46/1347600246.db2.gz HEAQNMZOSBZAAU-OBKDMQGPSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)C2 ZINC001048573880 1347600248 /nfs/dbraw/zinc/60/02/48/1347600248.db2.gz HEAQNMZOSBZAAU-OBKDMQGPSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048583230 1347605546 /nfs/dbraw/zinc/60/55/46/1347605546.db2.gz GZDLNOOZECDUPS-SWBPCFCJSA-N 2 1 349.563 3.266 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCCCC1 ZINC001049370615 1347808073 /nfs/dbraw/zinc/80/80/73/1347808073.db2.gz XFLJJWIJJCZMLP-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCCCC1 ZINC001049370615 1347808076 /nfs/dbraw/zinc/80/80/76/1347808076.db2.gz XFLJJWIJJCZMLP-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCCCC1 ZINC001049370615 1347808080 /nfs/dbraw/zinc/80/80/80/1347808080.db2.gz XFLJJWIJJCZMLP-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1=CCCCC1)[NH+](C)C ZINC001049702595 1347981102 /nfs/dbraw/zinc/98/11/02/1347981102.db2.gz IHDUVGJOCBGRHL-HSALFYBXSA-N 2 1 347.547 3.138 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001049726131 1347991283 /nfs/dbraw/zinc/99/12/83/1347991283.db2.gz CPIBONFWKGIVEC-SLFFLAALSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC1CC1 ZINC001049767123 1348010510 /nfs/dbraw/zinc/01/05/10/1348010510.db2.gz NSYSPKLFZXYPKU-XUVXKRRUSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CC1 ZINC001049767123 1348010511 /nfs/dbraw/zinc/01/05/11/1348010511.db2.gz NSYSPKLFZXYPKU-XUVXKRRUSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CC1 ZINC001049767123 1348010513 /nfs/dbraw/zinc/01/05/13/1348010513.db2.gz NSYSPKLFZXYPKU-XUVXKRRUSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001049768089 1348011400 /nfs/dbraw/zinc/01/14/00/1348011400.db2.gz SKUKAKGKAHRMOY-XUVXKRRUSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049768089 1348011401 /nfs/dbraw/zinc/01/14/01/1348011401.db2.gz SKUKAKGKAHRMOY-XUVXKRRUSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049768089 1348011405 /nfs/dbraw/zinc/01/14/05/1348011405.db2.gz SKUKAKGKAHRMOY-XUVXKRRUSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049821175 1348038143 /nfs/dbraw/zinc/03/81/43/1348038143.db2.gz UFBNJMGCUFUALJ-PMACEKPBSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001050371307 1348241188 /nfs/dbraw/zinc/24/11/88/1348241188.db2.gz JBMRWGRJXMRDNE-IYARVYRRSA-N 2 1 346.519 3.071 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@@H](C)CC)CC3)C1 ZINC001050630177 1348308633 /nfs/dbraw/zinc/30/86/33/1348308633.db2.gz LIVHCQVVAVDTIW-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001050687075 1348327223 /nfs/dbraw/zinc/32/72/23/1348327223.db2.gz GAFDIGMHGFQDEG-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC001052377137 1348535104 /nfs/dbraw/zinc/53/51/04/1348535104.db2.gz NPALFUUUZMXQDP-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001052377137 1348535106 /nfs/dbraw/zinc/53/51/06/1348535106.db2.gz NPALFUUUZMXQDP-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001052377137 1348535108 /nfs/dbraw/zinc/53/51/08/1348535108.db2.gz NPALFUUUZMXQDP-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052516674 1348564319 /nfs/dbraw/zinc/56/43/19/1348564319.db2.gz QHNQRWLVGMKRHK-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052516674 1348564320 /nfs/dbraw/zinc/56/43/20/1348564320.db2.gz QHNQRWLVGMKRHK-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052516674 1348564321 /nfs/dbraw/zinc/56/43/21/1348564321.db2.gz QHNQRWLVGMKRHK-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001052563766 1348580526 /nfs/dbraw/zinc/58/05/26/1348580526.db2.gz YBWXYCLDFAEMAO-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001052563766 1348580528 /nfs/dbraw/zinc/58/05/28/1348580528.db2.gz YBWXYCLDFAEMAO-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP CC1CCC(C[N@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001052680587 1348628166 /nfs/dbraw/zinc/62/81/66/1348628166.db2.gz PHMDEUMTWBMRGN-QLOJAFMTSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@@H+](CCC3CCCC3)CC2)CC1 ZINC001052767164 1348670969 /nfs/dbraw/zinc/67/09/69/1348670969.db2.gz SYDBPPVERYSWFR-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001052868894 1348710443 /nfs/dbraw/zinc/71/04/43/1348710443.db2.gz YLYGDXKFVWXWFT-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@H+](CCC3=CCCCC3)CC2)C1 ZINC001052868894 1348710447 /nfs/dbraw/zinc/71/04/47/1348710447.db2.gz YLYGDXKFVWXWFT-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@@H+](CCC3=CCCCC3)CC2)C1 ZINC001052868894 1348710450 /nfs/dbraw/zinc/71/04/50/1348710450.db2.gz YLYGDXKFVWXWFT-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001052868892 1348710678 /nfs/dbraw/zinc/71/06/78/1348710678.db2.gz YLYGDXKFVWXWFT-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@H+](CCC3=CCCCC3)CC2)C1 ZINC001052868892 1348710682 /nfs/dbraw/zinc/71/06/82/1348710682.db2.gz YLYGDXKFVWXWFT-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@@H+](CCC3=CCCCC3)CC2)C1 ZINC001052868892 1348710686 /nfs/dbraw/zinc/71/06/86/1348710686.db2.gz YLYGDXKFVWXWFT-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCC(C)C)CC1 ZINC001052985958 1348789334 /nfs/dbraw/zinc/78/93/34/1348789334.db2.gz BKFDNRWDLLLORZ-RLLQIKCJSA-N 2 1 349.563 3.218 20 0 EGADMP CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001053089535 1348915512 /nfs/dbraw/zinc/91/55/12/1348915512.db2.gz BSFNLYPINRPSBM-VQIMIIECSA-N 2 1 340.471 3.061 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054227115 1349220723 /nfs/dbraw/zinc/22/07/23/1349220723.db2.gz DEMZBBSZAULADY-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001054227115 1349220725 /nfs/dbraw/zinc/22/07/25/1349220725.db2.gz DEMZBBSZAULADY-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001054227115 1349220729 /nfs/dbraw/zinc/22/07/29/1349220729.db2.gz DEMZBBSZAULADY-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001054242455 1349235604 /nfs/dbraw/zinc/23/56/04/1349235604.db2.gz AKCJGQQRYYDQMJ-NRFANRHFSA-N 2 1 343.515 3.085 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)cc2C1 ZINC001054269579 1349267465 /nfs/dbraw/zinc/26/74/65/1349267465.db2.gz FVOZIYWSOGBWEC-PMACEKPBSA-N 2 1 341.499 3.045 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)cc2C1 ZINC001054269579 1349267468 /nfs/dbraw/zinc/26/74/68/1349267468.db2.gz FVOZIYWSOGBWEC-PMACEKPBSA-N 2 1 341.499 3.045 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)cc2C1 ZINC001054269579 1349267469 /nfs/dbraw/zinc/26/74/69/1349267469.db2.gz FVOZIYWSOGBWEC-PMACEKPBSA-N 2 1 341.499 3.045 20 0 EGADMP CC(C)[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@H]4CCC[NH+]43)cc2C1 ZINC001054285312 1349287195 /nfs/dbraw/zinc/28/71/95/1349287195.db2.gz CQNYWBVFZXWKMN-VQTJNVASSA-N 2 1 341.499 3.044 20 0 EGADMP CC(C)[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)cc2C1 ZINC001054285312 1349287199 /nfs/dbraw/zinc/28/71/99/1349287199.db2.gz CQNYWBVFZXWKMN-VQTJNVASSA-N 2 1 341.499 3.044 20 0 EGADMP CC(C)[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)cc2C1 ZINC001054285312 1349287201 /nfs/dbraw/zinc/28/72/01/1349287201.db2.gz CQNYWBVFZXWKMN-VQTJNVASSA-N 2 1 341.499 3.044 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)c1ccccc1Cl ZINC001054296782 1349301986 /nfs/dbraw/zinc/30/19/86/1349301986.db2.gz KXAYGRSYIDVWTH-HDMKZQKVSA-N 2 1 349.906 3.076 20 0 EGADMP CCOc1ccc(C[N@@H+](CC)C2CC[NH2+]CC2)cc1Br ZINC001235764506 1376890071 /nfs/dbraw/zinc/89/00/71/1376890071.db2.gz HRQGBIIAULZPMB-UHFFFAOYSA-N 2 1 341.293 3.422 20 0 EGADMP CCCC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071547501 1354759599 /nfs/dbraw/zinc/75/95/99/1354759599.db2.gz UWFRBYPITJENKX-HOCLYGCPSA-N 2 1 337.533 3.193 20 0 EGADMP CCCC[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071547501 1354759600 /nfs/dbraw/zinc/75/96/00/1354759600.db2.gz UWFRBYPITJENKX-HOCLYGCPSA-N 2 1 337.533 3.193 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071628180 1354811100 /nfs/dbraw/zinc/81/11/00/1354811100.db2.gz NYTNFVIZPOTYBL-DOTOQJQBSA-N 2 1 340.471 3.192 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCC3CC3)C2)ccc2c[nH+]cn21 ZINC001071627413 1354811999 /nfs/dbraw/zinc/81/19/99/1354811999.db2.gz FJSZXWJAWWLYOI-WMLDXEAASA-N 2 1 340.471 3.026 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CCCC1CCC1 ZINC001071734810 1354887220 /nfs/dbraw/zinc/88/72/20/1354887220.db2.gz AXGHZUVYEPYFMZ-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001071870119 1354994679 /nfs/dbraw/zinc/99/46/79/1354994679.db2.gz ZENOZUMPVSGOJQ-DLBZAZTESA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001071870119 1354994687 /nfs/dbraw/zinc/99/46/87/1354994687.db2.gz ZENOZUMPVSGOJQ-DLBZAZTESA-N 2 1 334.508 3.022 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C)[N@@H+](CCCC3CCC3)C2)CC1 ZINC001071920876 1355025935 /nfs/dbraw/zinc/02/59/35/1355025935.db2.gz YRFHVYOXNBJKGY-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[N@H+]1CCCC1CCCC1 ZINC001071996258 1355065674 /nfs/dbraw/zinc/06/56/74/1355065674.db2.gz PQDVTAZJCKIXRP-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001072309950 1355232425 /nfs/dbraw/zinc/23/24/25/1355232425.db2.gz OUPFRYIWJDEPOS-IAGOWNOFSA-N 2 1 337.552 3.122 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001074060734 1356060530 /nfs/dbraw/zinc/06/05/30/1356060530.db2.gz VPMOSGSPIJYSRX-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC1 ZINC001074075908 1356070599 /nfs/dbraw/zinc/07/05/99/1356070599.db2.gz VEUISBRMDCQJBK-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC1 ZINC001074075908 1356070604 /nfs/dbraw/zinc/07/06/04/1356070604.db2.gz VEUISBRMDCQJBK-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001074102117 1356084991 /nfs/dbraw/zinc/08/49/91/1356084991.db2.gz YHGZKFCTRBPBDP-LJQANCHMSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2C[N@@H+](C)C(C)C)o1 ZINC001074103020 1356085351 /nfs/dbraw/zinc/08/53/51/1356085351.db2.gz MKUDXICRJBRLFJ-QGZVFWFLSA-N 2 1 349.519 3.456 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C)c1ccc(Cl)cc1 ZINC001074803692 1356248166 /nfs/dbraw/zinc/24/81/66/1356248166.db2.gz KNDNYNBWGXWVIJ-IDCJVQTKSA-N 2 1 349.906 3.074 20 0 EGADMP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461632 1356395248 /nfs/dbraw/zinc/39/52/48/1356395248.db2.gz NGOYVTSBUHERGA-IBGZPJMESA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001099098373 1363621224 /nfs/dbraw/zinc/62/12/24/1363621224.db2.gz OMBSIQLOPLJAFN-DLBZAZTESA-N 2 1 343.531 3.073 20 0 EGADMP CC[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1[NH2+]Cc1ccc(C)cc1 ZINC001323158361 1387304079 /nfs/dbraw/zinc/30/40/79/1387304079.db2.gz ICHTYENILHVTTK-PMACEKPBSA-N 2 1 345.531 3.054 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001183398784 1387306706 /nfs/dbraw/zinc/30/67/06/1387306706.db2.gz HIFPUOBLSKHHKS-JCTQASJRSA-N 2 1 346.519 3.012 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CC[NH+](CCC(C)(C)C)C[C@H]21 ZINC001084405656 1358207451 /nfs/dbraw/zinc/20/74/51/1358207451.db2.gz XILXCPIBPWORHM-CEXWTWQISA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@H]2CC[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001084405656 1358207453 /nfs/dbraw/zinc/20/74/53/1358207453.db2.gz XILXCPIBPWORHM-CEXWTWQISA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@H]2CC[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001084405656 1358207458 /nfs/dbraw/zinc/20/74/58/1358207458.db2.gz XILXCPIBPWORHM-CEXWTWQISA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084603816 1358254947 /nfs/dbraw/zinc/25/49/47/1358254947.db2.gz MNEQSRUBEVHYMG-MISYRCLQSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603816 1358254950 /nfs/dbraw/zinc/25/49/50/1358254950.db2.gz MNEQSRUBEVHYMG-MISYRCLQSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603816 1358254952 /nfs/dbraw/zinc/25/49/52/1358254952.db2.gz MNEQSRUBEVHYMG-MISYRCLQSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072664 1358383461 /nfs/dbraw/zinc/38/34/61/1358383461.db2.gz NNFQNAZVHXKIPD-AQNXPRMDSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@@H]21 ZINC001085072664 1358383463 /nfs/dbraw/zinc/38/34/63/1358383463.db2.gz NNFQNAZVHXKIPD-AQNXPRMDSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@@H]21 ZINC001085072664 1358383465 /nfs/dbraw/zinc/38/34/65/1358383465.db2.gz NNFQNAZVHXKIPD-AQNXPRMDSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC001085217457 1358436281 /nfs/dbraw/zinc/43/62/81/1358436281.db2.gz BUAHQUBXOPKBJC-KURKYZTESA-N 2 1 349.544 3.140 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC(C)CC1 ZINC001085424562 1358495493 /nfs/dbraw/zinc/49/54/93/1358495493.db2.gz WDZXFWLJHJUBBF-JDGDGYACSA-N 2 1 346.519 3.035 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001085422164 1358495717 /nfs/dbraw/zinc/49/57/17/1358495717.db2.gz JXBWTCWLCWGAKB-GUDVDZBRSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)CN(C(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001183756187 1387343762 /nfs/dbraw/zinc/34/37/62/1387343762.db2.gz GDGRVEBYUPLWMI-UFYCRDLUSA-N 2 1 343.515 3.015 20 0 EGADMP CC(C)CN(C(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001183756187 1387343765 /nfs/dbraw/zinc/34/37/65/1387343765.db2.gz GDGRVEBYUPLWMI-UFYCRDLUSA-N 2 1 343.515 3.015 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCC1 ZINC001085687562 1358687680 /nfs/dbraw/zinc/68/76/80/1358687680.db2.gz QQDHTKYBNAJXIH-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC1CCC1 ZINC001085687562 1358687684 /nfs/dbraw/zinc/68/76/84/1358687684.db2.gz QQDHTKYBNAJXIH-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCC1 ZINC001085687562 1358687688 /nfs/dbraw/zinc/68/76/88/1358687688.db2.gz QQDHTKYBNAJXIH-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CC1CCCCC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085725663 1358714454 /nfs/dbraw/zinc/71/44/54/1358714454.db2.gz CGIMVLOCYVHFJL-IBGZPJMESA-N 2 1 340.471 3.061 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1=CCCCC1 ZINC001085854869 1358822560 /nfs/dbraw/zinc/82/25/60/1358822560.db2.gz JPNLQZUHXOEZCK-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001085854869 1358822562 /nfs/dbraw/zinc/82/25/62/1358822562.db2.gz JPNLQZUHXOEZCK-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1=CCCCC1 ZINC001085854869 1358822565 /nfs/dbraw/zinc/82/25/65/1358822565.db2.gz JPNLQZUHXOEZCK-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085856170 1358823568 /nfs/dbraw/zinc/82/35/68/1358823568.db2.gz SRTDQHOFSCWSLW-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001085856170 1358823570 /nfs/dbraw/zinc/82/35/70/1358823570.db2.gz SRTDQHOFSCWSLW-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001085856170 1358823571 /nfs/dbraw/zinc/82/35/71/1358823571.db2.gz SRTDQHOFSCWSLW-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086921513 1359248286 /nfs/dbraw/zinc/24/82/86/1359248286.db2.gz RJJPEPTWIQPVLH-RTBURBONSA-N 2 1 349.563 3.362 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CC1 ZINC001087168294 1359312050 /nfs/dbraw/zinc/31/20/50/1359312050.db2.gz DRIIEIMKGYYQNW-NUJGCVRESA-N 2 1 346.519 3.023 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@H+]1CC1CCCCC1 ZINC001087570034 1359535812 /nfs/dbraw/zinc/53/58/12/1359535812.db2.gz XZCLWCVLVQOOIU-ZCNNSNEGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CC1CCCCC1 ZINC001087570034 1359535816 /nfs/dbraw/zinc/53/58/16/1359535816.db2.gz XZCLWCVLVQOOIU-ZCNNSNEGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC[NH+]1CC1CCCCC1 ZINC001087570034 1359535825 /nfs/dbraw/zinc/53/58/25/1359535825.db2.gz XZCLWCVLVQOOIU-ZCNNSNEGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1CCC(C)C ZINC001087602465 1359550293 /nfs/dbraw/zinc/55/02/93/1359550293.db2.gz QWIHNRLRNBUKBO-XUVXKRRUSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1CCC(C)C ZINC001087602465 1359550296 /nfs/dbraw/zinc/55/02/96/1359550296.db2.gz QWIHNRLRNBUKBO-XUVXKRRUSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1CCC(C)C ZINC001087602465 1359550299 /nfs/dbraw/zinc/55/02/99/1359550299.db2.gz QWIHNRLRNBUKBO-XUVXKRRUSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CCC1CCCC1 ZINC001087725822 1359613414 /nfs/dbraw/zinc/61/34/14/1359613414.db2.gz FNYZWQRDZJDKCO-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CCC1CCCC1 ZINC001087725822 1359613425 /nfs/dbraw/zinc/61/34/25/1359613425.db2.gz FNYZWQRDZJDKCO-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CCC1CCCC1 ZINC001087725822 1359613428 /nfs/dbraw/zinc/61/34/28/1359613428.db2.gz FNYZWQRDZJDKCO-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC[N@H+]1CCC(C)C ZINC001087749623 1359626505 /nfs/dbraw/zinc/62/65/05/1359626505.db2.gz RUZPLLACOAGLAO-IPMKNSEASA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC[NH+]1CCC(C)C ZINC001087749623 1359626509 /nfs/dbraw/zinc/62/65/09/1359626509.db2.gz RUZPLLACOAGLAO-IPMKNSEASA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC[NH+]1CCC(C)C ZINC001087749623 1359626514 /nfs/dbraw/zinc/62/65/14/1359626514.db2.gz RUZPLLACOAGLAO-IPMKNSEASA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1CC ZINC001087762680 1359632664 /nfs/dbraw/zinc/63/26/64/1359632664.db2.gz HRFWUVJWKNTRAY-LSTHTHJFSA-N 2 1 345.531 3.377 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1CC ZINC001087780912 1359641454 /nfs/dbraw/zinc/64/14/54/1359641454.db2.gz HKHACMQQWHNFNP-NZSAHSFTSA-N 2 1 337.552 3.122 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)[C@@H]1CC ZINC001087792058 1359648526 /nfs/dbraw/zinc/64/85/26/1359648526.db2.gz LAZAOFUSPGVCEA-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CC2)[C@@H]1CC ZINC001087792058 1359648530 /nfs/dbraw/zinc/64/85/30/1359648530.db2.gz LAZAOFUSPGVCEA-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@@H]1CC ZINC001087792058 1359648532 /nfs/dbraw/zinc/64/85/32/1359648532.db2.gz LAZAOFUSPGVCEA-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@H+]1CC1CCCC1 ZINC001087840756 1359674923 /nfs/dbraw/zinc/67/49/23/1359674923.db2.gz MODIOWAWWYDGKA-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC[NH+]1CC1CCCC1 ZINC001087840756 1359674924 /nfs/dbraw/zinc/67/49/24/1359674924.db2.gz MODIOWAWWYDGKA-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC[NH+]1CC1CCCC1 ZINC001087840756 1359674925 /nfs/dbraw/zinc/67/49/25/1359674925.db2.gz MODIOWAWWYDGKA-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CC[C@H](C2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)CC2)C1 ZINC001323636575 1387413624 /nfs/dbraw/zinc/41/36/24/1387413624.db2.gz FFCLHBHNUNWOQX-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC3CCCCC3)CC[C@@H]2C1)[NH+](C)C ZINC001088109643 1359759130 /nfs/dbraw/zinc/75/91/30/1359759130.db2.gz PSNLEPRPCOQABC-AABGKKOBSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCCC[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001088381631 1359865312 /nfs/dbraw/zinc/86/53/12/1359865312.db2.gz JEODMZPGRCCHDO-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)[C@@H]1C ZINC001088605005 1359988364 /nfs/dbraw/zinc/98/83/64/1359988364.db2.gz CJDMYQCJOVOSFP-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)[C@@H]1C ZINC001088605005 1359988367 /nfs/dbraw/zinc/98/83/67/1359988367.db2.gz CJDMYQCJOVOSFP-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)[C@@H]1C ZINC001088605005 1359988369 /nfs/dbraw/zinc/98/83/69/1359988369.db2.gz CJDMYQCJOVOSFP-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCC2CCCCCC2)[C@@H]1C ZINC001088750362 1360030385 /nfs/dbraw/zinc/03/03/85/1360030385.db2.gz JEDRUKYYUFSQEX-MJGOQNOKSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCCCC2)[C@@H]1C ZINC001088750362 1360030389 /nfs/dbraw/zinc/03/03/89/1360030389.db2.gz JEDRUKYYUFSQEX-MJGOQNOKSA-N 2 1 346.519 3.131 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC(CC)CC)[C@@H]2C)C1 ZINC001088810070 1360058805 /nfs/dbraw/zinc/05/88/05/1360058805.db2.gz CPCOGUCGLFZTLY-QRQLOZEOSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(CC)CC)[C@@H]2C)C1 ZINC001088810070 1360058810 /nfs/dbraw/zinc/05/88/10/1360058810.db2.gz CPCOGUCGLFZTLY-QRQLOZEOSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(CC)CC)[C@@H]2C)C1 ZINC001088810070 1360058815 /nfs/dbraw/zinc/05/88/15/1360058815.db2.gz CPCOGUCGLFZTLY-QRQLOZEOSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897700 1360097152 /nfs/dbraw/zinc/09/71/52/1360097152.db2.gz TYOFJYWTBSRTGY-GGPKGHCWSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCC1 ZINC001089236095 1360274896 /nfs/dbraw/zinc/27/48/96/1360274896.db2.gz ZULIRYSAKFOPHZ-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC001089236095 1360274899 /nfs/dbraw/zinc/27/48/99/1360274899.db2.gz ZULIRYSAKFOPHZ-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001089252735 1360284325 /nfs/dbraw/zinc/28/43/25/1360284325.db2.gz VBLUPJYWVBJTKP-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001089252735 1360284327 /nfs/dbraw/zinc/28/43/27/1360284327.db2.gz VBLUPJYWVBJTKP-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001089252735 1360284330 /nfs/dbraw/zinc/28/43/30/1360284330.db2.gz VBLUPJYWVBJTKP-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089334747 1360347946 /nfs/dbraw/zinc/34/79/46/1360347946.db2.gz KGBQOKOFBTVTTK-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089334747 1360347948 /nfs/dbraw/zinc/34/79/48/1360347948.db2.gz KGBQOKOFBTVTTK-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089334747 1360347952 /nfs/dbraw/zinc/34/79/52/1360347952.db2.gz KGBQOKOFBTVTTK-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089441674 1360431407 /nfs/dbraw/zinc/43/14/07/1360431407.db2.gz JOHVKWUIXWJSTH-QGZVFWFLSA-N 2 1 342.487 3.211 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CCCCC3)CC(C)(C)C2)C1 ZINC001089558586 1360507332 /nfs/dbraw/zinc/50/73/32/1360507332.db2.gz IZKHTWWVFXSZOD-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC3CCCCC3)CC(C)(C)C2)C1 ZINC001089558586 1360507335 /nfs/dbraw/zinc/50/73/35/1360507335.db2.gz IZKHTWWVFXSZOD-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCCCC3)CC(C)(C)C2)C1 ZINC001089558586 1360507338 /nfs/dbraw/zinc/50/73/38/1360507338.db2.gz IZKHTWWVFXSZOD-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC(C)C ZINC001089647047 1360559792 /nfs/dbraw/zinc/55/97/92/1360559792.db2.gz RTCYWPMFYRZXJZ-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(C)C ZINC001089647047 1360559794 /nfs/dbraw/zinc/55/97/94/1360559794.db2.gz RTCYWPMFYRZXJZ-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(C)C ZINC001089647047 1360559796 /nfs/dbraw/zinc/55/97/96/1360559796.db2.gz RTCYWPMFYRZXJZ-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089661441 1360572455 /nfs/dbraw/zinc/57/24/55/1360572455.db2.gz XBLNUZJAFAKPAH-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089661441 1360572457 /nfs/dbraw/zinc/57/24/57/1360572457.db2.gz XBLNUZJAFAKPAH-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001089661441 1360572460 /nfs/dbraw/zinc/57/24/60/1360572460.db2.gz XBLNUZJAFAKPAH-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001089661441 1360572463 /nfs/dbraw/zinc/57/24/63/1360572463.db2.gz XBLNUZJAFAKPAH-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089705775 1360608027 /nfs/dbraw/zinc/60/80/27/1360608027.db2.gz JJVQDGIEBJPAFZ-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001089705775 1360608032 /nfs/dbraw/zinc/60/80/32/1360608032.db2.gz JJVQDGIEBJPAFZ-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001089705775 1360608038 /nfs/dbraw/zinc/60/80/38/1360608038.db2.gz JJVQDGIEBJPAFZ-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001089734184 1360638604 /nfs/dbraw/zinc/63/86/04/1360638604.db2.gz LDPZLVMTZTZSEJ-RTBURBONSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC=C(C)C ZINC001089734184 1360638606 /nfs/dbraw/zinc/63/86/06/1360638606.db2.gz LDPZLVMTZTZSEJ-RTBURBONSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC=C(C)C ZINC001089734184 1360638608 /nfs/dbraw/zinc/63/86/08/1360638608.db2.gz LDPZLVMTZTZSEJ-RTBURBONSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCCC(C)(C)C)C3)C2)CC[N@H+]1C ZINC001323856599 1387475696 /nfs/dbraw/zinc/47/56/96/1387475696.db2.gz CEZCNBAKSPKFNY-DBXWQHBBSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[N@H+](CCCC(C)(C)C)C3)C2)CC[NH+]1C ZINC001323856599 1387475698 /nfs/dbraw/zinc/47/56/98/1387475698.db2.gz CEZCNBAKSPKFNY-DBXWQHBBSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CCCC(C)(C)C)C3)C2)CC[NH+]1C ZINC001323856599 1387475704 /nfs/dbraw/zinc/47/57/04/1387475704.db2.gz CEZCNBAKSPKFNY-DBXWQHBBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001091267471 1361027070 /nfs/dbraw/zinc/02/70/70/1361027070.db2.gz MKYPIDAXQDDJBY-MHJFOBGBSA-N 2 1 349.563 3.314 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1)C1CCCCC1 ZINC001184609954 1387499996 /nfs/dbraw/zinc/49/99/96/1387499996.db2.gz YZRXQWBBBVYMTH-LJQANCHMSA-N 2 1 347.547 3.332 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001184609247 1387500057 /nfs/dbraw/zinc/50/00/57/1387500057.db2.gz JLNDSSHXIBNPTR-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001184694829 1387512109 /nfs/dbraw/zinc/51/21/09/1387512109.db2.gz ZQUBGBVOWCRZJW-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907287 1361484264 /nfs/dbraw/zinc/48/42/64/1361484264.db2.gz CKFMCJVWFFEXPZ-GGPKGHCWSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907287 1361484265 /nfs/dbraw/zinc/48/42/65/1361484265.db2.gz CKFMCJVWFFEXPZ-GGPKGHCWSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907287 1361484267 /nfs/dbraw/zinc/48/42/67/1361484267.db2.gz CKFMCJVWFFEXPZ-GGPKGHCWSA-N 2 1 349.563 3.268 20 0 EGADMP CN(C)c1ncccc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001324104998 1387543426 /nfs/dbraw/zinc/54/34/26/1387543426.db2.gz DGEGUCOBLKJJTG-YJBOKZPZSA-N 2 1 344.528 3.382 20 0 EGADMP CN(C)c1ncccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001324104998 1387543428 /nfs/dbraw/zinc/54/34/28/1387543428.db2.gz DGEGUCOBLKJJTG-YJBOKZPZSA-N 2 1 344.528 3.382 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001095404806 1362129895 /nfs/dbraw/zinc/12/98/95/1362129895.db2.gz APKFZAWZOKDPDY-FYQPLNBISA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001095404806 1362129897 /nfs/dbraw/zinc/12/98/97/1362129897.db2.gz APKFZAWZOKDPDY-FYQPLNBISA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001095404806 1362129899 /nfs/dbraw/zinc/12/98/99/1362129899.db2.gz APKFZAWZOKDPDY-FYQPLNBISA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCC2)CC1 ZINC001096269388 1362452301 /nfs/dbraw/zinc/45/23/01/1362452301.db2.gz QXXILSLCCXGTRI-AABGKKOBSA-N 2 1 347.547 3.019 20 0 EGADMP CCC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001098975122 1363549296 /nfs/dbraw/zinc/54/92/96/1363549296.db2.gz DNCQIQMXUIMFHS-JNVNVXKGSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001098975122 1363549299 /nfs/dbraw/zinc/54/92/99/1363549299.db2.gz DNCQIQMXUIMFHS-JNVNVXKGSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001098975122 1363549302 /nfs/dbraw/zinc/54/93/02/1363549302.db2.gz DNCQIQMXUIMFHS-JNVNVXKGSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001099079733 1363611828 /nfs/dbraw/zinc/61/18/28/1363611828.db2.gz IHZBDBJCCBXEOB-DLBZAZTESA-N 2 1 348.535 3.413 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001099079733 1363611829 /nfs/dbraw/zinc/61/18/29/1363611829.db2.gz IHZBDBJCCBXEOB-DLBZAZTESA-N 2 1 348.535 3.413 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001099115744 1363632543 /nfs/dbraw/zinc/63/25/43/1363632543.db2.gz IZQKSFWPOYCHAT-RTBURBONSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115744 1363632544 /nfs/dbraw/zinc/63/25/44/1363632544.db2.gz IZQKSFWPOYCHAT-RTBURBONSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115744 1363632547 /nfs/dbraw/zinc/63/25/47/1363632547.db2.gz IZQKSFWPOYCHAT-RTBURBONSA-N 2 1 349.563 3.434 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001099116805 1363633350 /nfs/dbraw/zinc/63/33/50/1363633350.db2.gz WGDQOROCTAHZLW-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001099116805 1363633353 /nfs/dbraw/zinc/63/33/53/1363633353.db2.gz WGDQOROCTAHZLW-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001099116805 1363633355 /nfs/dbraw/zinc/63/33/55/1363633355.db2.gz WGDQOROCTAHZLW-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001099198430 1363687628 /nfs/dbraw/zinc/68/76/28/1363687628.db2.gz AQPANSUHLFZNMX-LKGOPFMKSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001099204293 1363691148 /nfs/dbraw/zinc/69/11/48/1363691148.db2.gz YBTNITFYQXRLTQ-RURPWVQCSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099215369 1363696643 /nfs/dbraw/zinc/69/66/43/1363696643.db2.gz UCUAAPNDJAGICI-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCCCC1 ZINC001099215653 1363696695 /nfs/dbraw/zinc/69/66/95/1363696695.db2.gz YDRHSJFWNFKMDR-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H](F)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310325 1363742998 /nfs/dbraw/zinc/74/29/98/1363742998.db2.gz JTVUMQQDRVMNSN-IRXDYDNUSA-N 2 1 343.531 3.073 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001099310400 1363743317 /nfs/dbraw/zinc/74/33/17/1363743317.db2.gz LCGQCCCLZSDXIF-DUMMIQTOSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCC[NH+](C)C)C1 ZINC001099520890 1363831158 /nfs/dbraw/zinc/83/11/58/1363831158.db2.gz PFJADNSWMTUKLR-MUGJNUQGSA-N 2 1 349.563 3.077 20 0 EGADMP CC/C=C/CC[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001100406722 1364104137 /nfs/dbraw/zinc/10/41/37/1364104137.db2.gz KJOHPSIVGGKKBS-LKFCSYKXSA-N 2 1 335.536 3.090 20 0 EGADMP CC[C@@H]([NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1 ZINC001100407774 1364104824 /nfs/dbraw/zinc/10/48/24/1364104824.db2.gz JAESRCBSYSQBRR-OUNSHVDWSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001100601843 1364184556 /nfs/dbraw/zinc/18/45/56/1364184556.db2.gz GWZMWVHGAMYCCO-AFMYVXGZSA-N 2 1 349.563 3.314 20 0 EGADMP C[N@@H+](CC(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1)CC(C)(C)C ZINC001100681900 1364216336 /nfs/dbraw/zinc/21/63/36/1364216336.db2.gz XBWUSZUVRVPGBP-UHFFFAOYSA-N 2 1 349.563 3.339 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001100681901 1364216482 /nfs/dbraw/zinc/21/64/82/1364216482.db2.gz XFHMJXMTWPTNJM-CMDGGOBGSA-N 2 1 337.552 3.195 20 0 EGADMP CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001100729413 1364238238 /nfs/dbraw/zinc/23/82/38/1364238238.db2.gz FIGJKNCWQKSYMV-ACBHZAAOSA-N 2 1 337.552 3.314 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101314330 1364506365 /nfs/dbraw/zinc/50/63/65/1364506365.db2.gz YVBXZWGVOJPUHZ-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@@H+](CCCC3CCC3)C[C@@]2(C)C1 ZINC001101435321 1364562043 /nfs/dbraw/zinc/56/20/43/1364562043.db2.gz JDLKHSMRPICPQF-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464650 1364572940 /nfs/dbraw/zinc/57/29/40/1364572940.db2.gz RNJWAGMHGCWWJO-CTNGQTDRSA-N 2 1 349.563 3.223 20 0 EGADMP CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001101543419 1364608585 /nfs/dbraw/zinc/60/85/85/1364608585.db2.gz IPAIABNIXAJYGY-MRXNPFEDSA-N 2 1 348.535 3.271 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001102040552 1364820716 /nfs/dbraw/zinc/82/07/16/1364820716.db2.gz NKEXOCDNDJOYHF-AHSYYPKJSA-N 2 1 349.563 3.005 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001102040552 1364820728 /nfs/dbraw/zinc/82/07/28/1364820728.db2.gz NKEXOCDNDJOYHF-AHSYYPKJSA-N 2 1 349.563 3.005 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC001102040552 1364820734 /nfs/dbraw/zinc/82/07/34/1364820734.db2.gz NKEXOCDNDJOYHF-AHSYYPKJSA-N 2 1 349.563 3.005 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046195 1364822805 /nfs/dbraw/zinc/82/28/05/1364822805.db2.gz RSDZLKKXUWWSOO-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC001324640992 1387713514 /nfs/dbraw/zinc/71/35/14/1387713514.db2.gz HJNQFUUNOXKMKD-YVRYJGMNSA-N 2 1 343.515 3.012 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357770 1365021061 /nfs/dbraw/zinc/02/10/61/1365021061.db2.gz IOSNXSACBLTZIV-QHDCNBPGSA-N 2 1 337.552 3.147 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102466470 1365071327 /nfs/dbraw/zinc/07/13/27/1365071327.db2.gz OKWJRJLGLRUPAD-IBMJZYDUSA-N 2 1 346.519 3.012 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102466470 1365071331 /nfs/dbraw/zinc/07/13/31/1365071331.db2.gz OKWJRJLGLRUPAD-IBMJZYDUSA-N 2 1 346.519 3.012 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102598885 1365131668 /nfs/dbraw/zinc/13/16/68/1365131668.db2.gz FIIAFQPINHVOJG-UYAOXDASSA-N 2 1 349.563 3.127 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001102987590 1365328542 /nfs/dbraw/zinc/32/85/42/1365328542.db2.gz IOZWZTZARKSFEG-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103087783 1365374146 /nfs/dbraw/zinc/37/41/46/1365374146.db2.gz NPZITLHIBTYWRG-LAWBKWBHSA-N 2 1 349.563 3.147 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001103168444 1365418796 /nfs/dbraw/zinc/41/87/96/1365418796.db2.gz JCMJZZOCMJWIEG-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CC2CC2)C[C@H]1CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001103168444 1365418799 /nfs/dbraw/zinc/41/87/99/1365418799.db2.gz JCMJZZOCMJWIEG-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CC2CC2)C[C@H]1CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001103168444 1365418800 /nfs/dbraw/zinc/41/88/00/1365418800.db2.gz JCMJZZOCMJWIEG-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185650 1365425430 /nfs/dbraw/zinc/42/54/30/1365425430.db2.gz JAGLHVRAWSFYCH-XOIGSVRCSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103408468 1365542917 /nfs/dbraw/zinc/54/29/17/1365542917.db2.gz CNKARBMTYIUJOO-GUDVDZBRSA-N 2 1 339.568 3.227 20 0 EGADMP CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001103773815 1365777578 /nfs/dbraw/zinc/77/75/78/1365777578.db2.gz SMPXXWOABMHARD-IAGOWNOFSA-N 2 1 349.519 3.219 20 0 EGADMP CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001104196348 1365947767 /nfs/dbraw/zinc/94/77/67/1365947767.db2.gz SODRRUGGCDPYAK-QRVBRYPASA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105066671 1366303983 /nfs/dbraw/zinc/30/39/83/1366303983.db2.gz BBIXPVAJTZHVRU-GUDVDZBRSA-N 2 1 339.568 3.083 20 0 EGADMP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001105518299 1366505219 /nfs/dbraw/zinc/50/52/19/1366505219.db2.gz WFBWLPRLCSJKND-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)CC[C@H]2CCC[N@H+]2C)CCC1 ZINC001105544917 1366522232 /nfs/dbraw/zinc/52/22/32/1366522232.db2.gz YSXXMSDPOBTBPX-RTBURBONSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)CCC1 ZINC001105563056 1366532190 /nfs/dbraw/zinc/53/21/90/1366532190.db2.gz BWADOWFLOBPIFY-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCC1CCCCCC1 ZINC001105941949 1366600627 /nfs/dbraw/zinc/60/06/27/1366600627.db2.gz RTWINCPJTXPCFB-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001106151207 1366614749 /nfs/dbraw/zinc/61/47/49/1366614749.db2.gz MHKVRULJJVCGKX-KZNAEPCWSA-N 2 1 348.535 3.271 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CCC1CCCCC1 ZINC001106254960 1366634876 /nfs/dbraw/zinc/63/48/76/1366634876.db2.gz CPRNNNAOBGLCDZ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001106765612 1366792319 /nfs/dbraw/zinc/79/23/19/1366792319.db2.gz LOTQQMPKFPEBNS-IEBWSBKVSA-N 2 1 348.535 3.236 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436521 1366963117 /nfs/dbraw/zinc/96/31/17/1366963117.db2.gz BFROQUJXUDYBFX-YHTLKTDXSA-N 2 1 347.547 3.188 20 0 EGADMP C[N@@H+](CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCC1)CC2)C1CCC1 ZINC001107438930 1366963623 /nfs/dbraw/zinc/96/36/23/1366963623.db2.gz NCNSRBMJONNRQP-TZIWHRDSSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+](CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2)C1CCC1 ZINC001107438930 1366963624 /nfs/dbraw/zinc/96/36/24/1366963624.db2.gz NCNSRBMJONNRQP-TZIWHRDSSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+](CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2)C1CCC1 ZINC001107438930 1366963625 /nfs/dbraw/zinc/96/36/25/1366963625.db2.gz NCNSRBMJONNRQP-TZIWHRDSSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442636 1366965151 /nfs/dbraw/zinc/96/51/51/1366965151.db2.gz HHYSGKUYJHZITA-QWFCFKBJSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442357 1366965111 /nfs/dbraw/zinc/96/51/11/1366965111.db2.gz CRLCEWFHZGWNAT-SFHLNBCPSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442357 1366965114 /nfs/dbraw/zinc/96/51/14/1366965114.db2.gz CRLCEWFHZGWNAT-SFHLNBCPSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442357 1366965117 /nfs/dbraw/zinc/96/51/17/1366965117.db2.gz CRLCEWFHZGWNAT-SFHLNBCPSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442636 1366965155 /nfs/dbraw/zinc/96/51/55/1366965155.db2.gz HHYSGKUYJHZITA-QWFCFKBJSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107442636 1366965157 /nfs/dbraw/zinc/96/51/57/1366965157.db2.gz HHYSGKUYJHZITA-QWFCFKBJSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444682 1366965689 /nfs/dbraw/zinc/96/56/89/1366965689.db2.gz VRSZTFOGMSYXJM-WSTZPKSXSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107455105 1366969455 /nfs/dbraw/zinc/96/94/55/1366969455.db2.gz WTESEZYHGVPVKH-MBOZVWFJSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@H+](C)CC)CCC[C@@H]12 ZINC001107455105 1366969457 /nfs/dbraw/zinc/96/94/57/1366969457.db2.gz WTESEZYHGVPVKH-MBOZVWFJSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@@H+](C)CC)CCC[C@@H]12 ZINC001107455105 1366969459 /nfs/dbraw/zinc/96/94/59/1366969459.db2.gz WTESEZYHGVPVKH-MBOZVWFJSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)CC3([NH+](C)C)CCCC3)CCC[C@@H]12 ZINC001107488772 1366990417 /nfs/dbraw/zinc/99/04/17/1366990417.db2.gz WXKBOZVFTAWZQU-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@@]2(C)CCC[N@@H+](CC3CC3)C2)CCCCC1 ZINC001324947974 1387844160 /nfs/dbraw/zinc/84/41/60/1387844160.db2.gz NRQKCNULZODAPJ-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC1CCC1)CC2)[NH+](C)C ZINC001107555256 1367040486 /nfs/dbraw/zinc/04/04/86/1367040486.db2.gz ZXCRGSQXLPXQQC-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001109306142 1367048152 /nfs/dbraw/zinc/04/81/52/1367048152.db2.gz VELGCFPSJDOKCU-MAIDMGPTSA-N 2 1 347.547 3.185 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001109306142 1367048157 /nfs/dbraw/zinc/04/81/57/1367048157.db2.gz VELGCFPSJDOKCU-MAIDMGPTSA-N 2 1 347.547 3.185 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001109306142 1367048160 /nfs/dbraw/zinc/04/81/60/1367048160.db2.gz VELGCFPSJDOKCU-MAIDMGPTSA-N 2 1 347.547 3.185 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107617698 1367076695 /nfs/dbraw/zinc/07/66/95/1367076695.db2.gz ORFIBKDHVAQMOD-UYAOXDASSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CCC)CCC[C@@H]12 ZINC001107617698 1367076698 /nfs/dbraw/zinc/07/66/98/1367076698.db2.gz ORFIBKDHVAQMOD-UYAOXDASSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)CCC)CCC[C@@H]12 ZINC001107617698 1367076706 /nfs/dbraw/zinc/07/67/06/1367076706.db2.gz ORFIBKDHVAQMOD-UYAOXDASSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109397297 1367104358 /nfs/dbraw/zinc/10/43/58/1367104358.db2.gz VTJASIWYVFNGHO-YRPNKDGESA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001109397297 1367104361 /nfs/dbraw/zinc/10/43/61/1367104361.db2.gz VTJASIWYVFNGHO-YRPNKDGESA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001109397297 1367104364 /nfs/dbraw/zinc/10/43/64/1367104364.db2.gz VTJASIWYVFNGHO-YRPNKDGESA-N 2 1 349.563 3.122 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001109417616 1367112087 /nfs/dbraw/zinc/11/20/87/1367112087.db2.gz HVICFXZEPHZQFZ-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001109417616 1367112089 /nfs/dbraw/zinc/11/20/89/1367112089.db2.gz HVICFXZEPHZQFZ-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001109417616 1367112091 /nfs/dbraw/zinc/11/20/91/1367112091.db2.gz HVICFXZEPHZQFZ-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109419540 1367112834 /nfs/dbraw/zinc/11/28/34/1367112834.db2.gz URRVKVRZWJSQMU-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001109419540 1367112837 /nfs/dbraw/zinc/11/28/37/1367112837.db2.gz URRVKVRZWJSQMU-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001109419540 1367112840 /nfs/dbraw/zinc/11/28/40/1367112840.db2.gz URRVKVRZWJSQMU-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109463903 1367137990 /nfs/dbraw/zinc/13/79/90/1367137990.db2.gz BWHLEMNYADIAKG-JZDUDEBISA-N 2 1 335.536 3.185 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001109463903 1367137993 /nfs/dbraw/zinc/13/79/93/1367137993.db2.gz BWHLEMNYADIAKG-JZDUDEBISA-N 2 1 335.536 3.185 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001109463903 1367137999 /nfs/dbraw/zinc/13/79/99/1367137999.db2.gz BWHLEMNYADIAKG-JZDUDEBISA-N 2 1 335.536 3.185 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@]1(C)CCC[NH+](CCC2CCCC2)C1 ZINC001324971182 1387858414 /nfs/dbraw/zinc/85/84/14/1387858414.db2.gz FPJDKHAJURASMD-HXUWFJFHSA-N 2 1 337.552 3.127 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@H+](CCC2CCCC2)C1 ZINC001324971182 1387858416 /nfs/dbraw/zinc/85/84/16/1387858416.db2.gz FPJDKHAJURASMD-HXUWFJFHSA-N 2 1 337.552 3.127 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@@H+](CCC2CCCC2)C1 ZINC001324971182 1387858418 /nfs/dbraw/zinc/85/84/18/1387858418.db2.gz FPJDKHAJURASMD-HXUWFJFHSA-N 2 1 337.552 3.127 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565644 1367201850 /nfs/dbraw/zinc/20/18/50/1367201850.db2.gz WXIUAKOBBGXBGX-BDXSIMOUSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190652760 1367317434 /nfs/dbraw/zinc/31/74/34/1367317434.db2.gz AJOAOSDWWKPIAL-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190652760 1367317438 /nfs/dbraw/zinc/31/74/38/1367317438.db2.gz AJOAOSDWWKPIAL-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190652760 1367317445 /nfs/dbraw/zinc/31/74/45/1367317445.db2.gz AJOAOSDWWKPIAL-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190890352 1367375637 /nfs/dbraw/zinc/37/56/37/1367375637.db2.gz PTXVVZHVQQMJGY-VOFKWLDRSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109928120 1367408445 /nfs/dbraw/zinc/40/84/45/1367408445.db2.gz IAPHLWGRDPWJLH-WCIQWLHISA-N 2 1 343.515 3.201 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001109928120 1367408447 /nfs/dbraw/zinc/40/84/47/1367408447.db2.gz IAPHLWGRDPWJLH-WCIQWLHISA-N 2 1 343.515 3.201 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001109928120 1367408449 /nfs/dbraw/zinc/40/84/49/1367408449.db2.gz IAPHLWGRDPWJLH-WCIQWLHISA-N 2 1 343.515 3.201 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCC2)C1 ZINC001191079608 1367419221 /nfs/dbraw/zinc/41/92/21/1367419221.db2.gz BOZFQILHXHFXGU-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1 ZINC001191079608 1367419224 /nfs/dbraw/zinc/41/92/24/1367419224.db2.gz BOZFQILHXHFXGU-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001191079608 1367419227 /nfs/dbraw/zinc/41/92/27/1367419227.db2.gz BOZFQILHXHFXGU-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1cccc(OC[C@H](O)C[N@H+](CCC[NH+]2CCCCC2)C(C)C)c1 ZINC001191205189 1367445704 /nfs/dbraw/zinc/44/57/04/1367445704.db2.gz ZKOMGAVRIJMMPW-HXUWFJFHSA-N 2 1 348.531 3.321 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110007012 1367455380 /nfs/dbraw/zinc/45/53/80/1367455380.db2.gz DJVGFYGJDCXQEU-YRXWBPOGSA-N 2 1 337.552 3.122 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110015110 1367458688 /nfs/dbraw/zinc/45/86/88/1367458688.db2.gz ZHGICIXTNHYHIG-ZIGQXYKSSA-N 2 1 335.536 3.186 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001110015110 1367458690 /nfs/dbraw/zinc/45/86/90/1367458690.db2.gz ZHGICIXTNHYHIG-ZIGQXYKSSA-N 2 1 335.536 3.186 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001110015110 1367458695 /nfs/dbraw/zinc/45/86/95/1367458695.db2.gz ZHGICIXTNHYHIG-ZIGQXYKSSA-N 2 1 335.536 3.186 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001110016353 1367459404 /nfs/dbraw/zinc/45/94/04/1367459404.db2.gz JTLVRGMNWAUPLZ-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001110016353 1367459405 /nfs/dbraw/zinc/45/94/05/1367459405.db2.gz JTLVRGMNWAUPLZ-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001110016353 1367459408 /nfs/dbraw/zinc/45/94/08/1367459408.db2.gz JTLVRGMNWAUPLZ-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191550755 1367525739 /nfs/dbraw/zinc/52/57/39/1367525739.db2.gz GRTJUPDEEKUPLS-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CC[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001191550755 1367525744 /nfs/dbraw/zinc/52/57/44/1367525744.db2.gz GRTJUPDEEKUPLS-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CC[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001191550755 1367525747 /nfs/dbraw/zinc/52/57/47/1367525747.db2.gz GRTJUPDEEKUPLS-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)(C)CC1 ZINC001110159923 1367532699 /nfs/dbraw/zinc/53/26/99/1367532699.db2.gz ZVIQKVLPLZOQOQ-QYZOEREBSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC(C)(C)CC1 ZINC001110159923 1367532702 /nfs/dbraw/zinc/53/27/02/1367532702.db2.gz ZVIQKVLPLZOQOQ-QYZOEREBSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC(C)(C)CC1 ZINC001110159923 1367532709 /nfs/dbraw/zinc/53/27/09/1367532709.db2.gz ZVIQKVLPLZOQOQ-QYZOEREBSA-N 2 1 349.563 3.265 20 0 EGADMP CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001108733774 1367565016 /nfs/dbraw/zinc/56/50/16/1367565016.db2.gz GTEHBBUGLPNTSN-BJLQDIEVSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001108764919 1367580658 /nfs/dbraw/zinc/58/06/58/1367580658.db2.gz DLBBURQIJOKZSK-KSZLIROESA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001108765032 1367581586 /nfs/dbraw/zinc/58/15/86/1367581586.db2.gz HOSLNCPVGJSCLZ-OTWHNJEPSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH+](C)CCC(C)(C)C)C2)C1 ZINC001191923106 1367640832 /nfs/dbraw/zinc/64/08/32/1367640832.db2.gz QNJHVYQDCCEXPO-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCC(C)(C)C)C2)C1 ZINC001191923106 1367640839 /nfs/dbraw/zinc/64/08/39/1367640839.db2.gz QNJHVYQDCCEXPO-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCC(C)(C)C)C2)C1 ZINC001191923106 1367640846 /nfs/dbraw/zinc/64/08/46/1367640846.db2.gz QNJHVYQDCCEXPO-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC2=CCCCC2)C1)[NH+](CC)CC ZINC001192317692 1367748278 /nfs/dbraw/zinc/74/82/78/1367748278.db2.gz ULZHHRHMQVPHEY-OALUTQOASA-N 2 1 335.536 3.140 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001192317339 1367748354 /nfs/dbraw/zinc/74/83/54/1367748354.db2.gz SBDDNUCFFWDPKO-PMACEKPBSA-N 2 1 345.531 3.148 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110550494 1367826717 /nfs/dbraw/zinc/82/67/17/1367826717.db2.gz RVTQCEFDSNRFOD-YRXWBPOGSA-N 2 1 335.536 3.161 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110550494 1367826725 /nfs/dbraw/zinc/82/67/25/1367826725.db2.gz RVTQCEFDSNRFOD-YRXWBPOGSA-N 2 1 335.536 3.161 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001110550494 1367826736 /nfs/dbraw/zinc/82/67/36/1367826736.db2.gz RVTQCEFDSNRFOD-YRXWBPOGSA-N 2 1 335.536 3.161 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110566009 1367837106 /nfs/dbraw/zinc/83/71/06/1367837106.db2.gz VCWRHQZFGLTXRB-QRVBRYPASA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192654272 1367843876 /nfs/dbraw/zinc/84/38/76/1367843876.db2.gz FINFXNLJXTUDNA-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671361 1367846167 /nfs/dbraw/zinc/84/61/67/1367846167.db2.gz IVIQZVPREIIVMN-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192671361 1367846172 /nfs/dbraw/zinc/84/61/72/1367846172.db2.gz IVIQZVPREIIVMN-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192671361 1367846176 /nfs/dbraw/zinc/84/61/76/1367846176.db2.gz IVIQZVPREIIVMN-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@H]1O ZINC001192850327 1367887804 /nfs/dbraw/zinc/88/78/04/1367887804.db2.gz WCDLQIJGEMUWPL-WIYYLYMNSA-N 2 1 330.516 3.034 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917708 1367904191 /nfs/dbraw/zinc/90/41/91/1367904191.db2.gz RCRKTOIDBKHPEN-MOPGFXCFSA-N 2 1 339.568 3.322 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1)C1CC1 ZINC001110666817 1367906659 /nfs/dbraw/zinc/90/66/59/1367906659.db2.gz WKZDBIJZYZXJJJ-YSTOQKLRSA-N 2 1 347.547 3.019 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001110683104 1367925676 /nfs/dbraw/zinc/92/56/76/1367925676.db2.gz QKCMPDUECVQLBF-MKXGPGLRSA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1 ZINC001110683104 1367925680 /nfs/dbraw/zinc/92/56/80/1367925680.db2.gz QKCMPDUECVQLBF-MKXGPGLRSA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1 ZINC001110683104 1367925685 /nfs/dbraw/zinc/92/56/85/1367925685.db2.gz QKCMPDUECVQLBF-MKXGPGLRSA-N 2 1 347.547 3.019 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1ccccc1 ZINC001110734214 1367953272 /nfs/dbraw/zinc/95/32/72/1367953272.db2.gz CUCHYTNYKGAKSY-OWYHZJEWSA-N 2 1 343.515 3.199 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ccccc1 ZINC001110734214 1367953278 /nfs/dbraw/zinc/95/32/78/1367953278.db2.gz CUCHYTNYKGAKSY-OWYHZJEWSA-N 2 1 343.515 3.199 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ccccc1 ZINC001110734214 1367953281 /nfs/dbraw/zinc/95/32/81/1367953281.db2.gz CUCHYTNYKGAKSY-OWYHZJEWSA-N 2 1 343.515 3.199 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2C(C)C)C1 ZINC001193279971 1367988608 /nfs/dbraw/zinc/98/86/08/1367988608.db2.gz RXJHSYUXRDAARJ-LJQANCHMSA-N 2 1 345.531 3.185 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C(C)C)C1 ZINC001193279971 1367988611 /nfs/dbraw/zinc/98/86/11/1367988611.db2.gz RXJHSYUXRDAARJ-LJQANCHMSA-N 2 1 345.531 3.185 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C(C)C)C1 ZINC001193279971 1367988612 /nfs/dbraw/zinc/98/86/12/1367988612.db2.gz RXJHSYUXRDAARJ-LJQANCHMSA-N 2 1 345.531 3.185 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCC(C)C)C1 ZINC001193389701 1368017389 /nfs/dbraw/zinc/01/73/89/1368017389.db2.gz GMNYMBQVEWJAJN-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC(C)C)C1 ZINC001193389701 1368017393 /nfs/dbraw/zinc/01/73/93/1368017393.db2.gz GMNYMBQVEWJAJN-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)C)C1 ZINC001193389701 1368017394 /nfs/dbraw/zinc/01/73/94/1368017394.db2.gz GMNYMBQVEWJAJN-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCC2)CCCCC1 ZINC001110857526 1368037138 /nfs/dbraw/zinc/03/71/38/1368037138.db2.gz GGWZWPVFLRGRKN-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193500184 1368046784 /nfs/dbraw/zinc/04/67/84/1368046784.db2.gz QUNLTPXMGJGTOM-OZSKJFCKSA-N 2 1 344.503 3.040 20 0 EGADMP C[C@@H](C1CCCCC1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001194029121 1368170441 /nfs/dbraw/zinc/17/04/41/1368170441.db2.gz AVDQFYVTZYOUME-FXAWDEMLSA-N 2 1 345.531 3.306 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081830 1368179922 /nfs/dbraw/zinc/17/99/22/1368179922.db2.gz XNCSESJTLMGRSY-PXPVJAHISA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226903 1368212322 /nfs/dbraw/zinc/21/23/22/1368212322.db2.gz HURWGMPQZOVQPA-UEKDZROGSA-N 2 1 335.536 3.142 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194273899 1368221414 /nfs/dbraw/zinc/22/14/14/1368221414.db2.gz BSLDNDQDGJWMFU-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194406926 1368254201 /nfs/dbraw/zinc/25/42/01/1368254201.db2.gz DPQSQQLYFQDMKN-KRWDZBQOSA-N 2 1 349.519 3.458 20 0 EGADMP C[N@@H+]1CCC[C@H](C(=O)Nc2ccc3c(c2)C[NH+](Cc2ccccc2)C3)C1 ZINC001186359994 1387929109 /nfs/dbraw/zinc/92/91/09/1387929109.db2.gz HNSQTXAPILATDZ-IBGZPJMESA-N 2 1 349.478 3.483 20 0 EGADMP C[N@H+]1CCC[C@H](C(=O)Nc2ccc3c(c2)C[NH+](Cc2ccccc2)C3)C1 ZINC001186359994 1387929128 /nfs/dbraw/zinc/92/91/28/1387929128.db2.gz HNSQTXAPILATDZ-IBGZPJMESA-N 2 1 349.478 3.483 20 0 EGADMP C[NH+]1CCC[C@H](C(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)C1 ZINC001186359994 1387929133 /nfs/dbraw/zinc/92/91/33/1387929133.db2.gz HNSQTXAPILATDZ-IBGZPJMESA-N 2 1 349.478 3.483 20 0 EGADMP C[NH+]1CCC[C@H](C(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)C1 ZINC001186359994 1387929137 /nfs/dbraw/zinc/92/91/37/1387929137.db2.gz HNSQTXAPILATDZ-IBGZPJMESA-N 2 1 349.478 3.483 20 0 EGADMP C[N@@H+](CCC(C)(C)C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429884 1368259507 /nfs/dbraw/zinc/25/95/07/1368259507.db2.gz OSHIJEUCZSOUFY-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001111303833 1368260732 /nfs/dbraw/zinc/26/07/32/1368260732.db2.gz BPGSRJMWISYZFA-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001111303833 1368260740 /nfs/dbraw/zinc/26/07/40/1368260740.db2.gz BPGSRJMWISYZFA-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001111303833 1368260742 /nfs/dbraw/zinc/26/07/42/1368260742.db2.gz BPGSRJMWISYZFA-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](CC)c1ccccc1 ZINC001111312750 1368263286 /nfs/dbraw/zinc/26/32/86/1368263286.db2.gz WBESRURGUWPXCA-ZRNYENFQSA-N 2 1 343.515 3.201 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](CC)c1ccccc1 ZINC001111312750 1368263292 /nfs/dbraw/zinc/26/32/92/1368263292.db2.gz WBESRURGUWPXCA-ZRNYENFQSA-N 2 1 343.515 3.201 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](CC)c1ccccc1 ZINC001111312750 1368263295 /nfs/dbraw/zinc/26/32/95/1368263295.db2.gz WBESRURGUWPXCA-ZRNYENFQSA-N 2 1 343.515 3.201 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454033 1368310260 /nfs/dbraw/zinc/31/02/60/1368310260.db2.gz IHMJQZWTVZMIHM-WTGUMLROSA-N 2 1 349.563 3.266 20 0 EGADMP Cc1ccc(CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC001195277893 1368413118 /nfs/dbraw/zinc/41/31/18/1368413118.db2.gz GZOBZZPJBJTEOO-OAQYLSRUSA-N 2 1 340.511 3.399 20 0 EGADMP Cc1ccc(CC(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC001195277893 1368413120 /nfs/dbraw/zinc/41/31/20/1368413120.db2.gz GZOBZZPJBJTEOO-OAQYLSRUSA-N 2 1 340.511 3.399 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001111740777 1368437742 /nfs/dbraw/zinc/43/77/42/1368437742.db2.gz NNCQICLFPSTHQE-PTDRADOGSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001111740777 1368437746 /nfs/dbraw/zinc/43/77/46/1368437746.db2.gz NNCQICLFPSTHQE-PTDRADOGSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001111740777 1368437747 /nfs/dbraw/zinc/43/77/47/1368437747.db2.gz NNCQICLFPSTHQE-PTDRADOGSA-N 2 1 347.547 3.186 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCCC(C)(C)C)C2 ZINC001111835240 1368490239 /nfs/dbraw/zinc/49/02/39/1368490239.db2.gz CGVJOBHSLHXTFC-WFXMLNOXSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCCC(C)(C)C)C2 ZINC001111835240 1368490242 /nfs/dbraw/zinc/49/02/42/1368490242.db2.gz CGVJOBHSLHXTFC-WFXMLNOXSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC(C)(C)C)C2 ZINC001111835240 1368490244 /nfs/dbraw/zinc/49/02/44/1368490244.db2.gz CGVJOBHSLHXTFC-WFXMLNOXSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC(C)(C)C)C2 ZINC001111835240 1368490245 /nfs/dbraw/zinc/49/02/45/1368490245.db2.gz CGVJOBHSLHXTFC-WFXMLNOXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCCCC1)C2)[NH+](C)C ZINC001111875269 1368521645 /nfs/dbraw/zinc/52/16/45/1368521645.db2.gz WEARHUXTJRBCLS-ZJOUEHCJSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1=CCCCC1)C2 ZINC001111909550 1368550618 /nfs/dbraw/zinc/55/06/18/1368550618.db2.gz CERODMJBNAKOBL-FPOVZHCZSA-N 2 1 347.547 3.189 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001196164250 1368561348 /nfs/dbraw/zinc/56/13/48/1368561348.db2.gz ZFXUNEQPZQXZQN-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001196164250 1368561349 /nfs/dbraw/zinc/56/13/49/1368561349.db2.gz ZFXUNEQPZQXZQN-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001196164250 1368561353 /nfs/dbraw/zinc/56/13/53/1368561353.db2.gz ZFXUNEQPZQXZQN-LJQANCHMSA-N 2 1 337.552 3.364 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)c1ccccc1)C2 ZINC001111925781 1368564081 /nfs/dbraw/zinc/56/40/81/1368564081.db2.gz JYULRVVEHYNUIJ-CUWPLCDZSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1ccccc1)C2 ZINC001111925781 1368564087 /nfs/dbraw/zinc/56/40/87/1368564087.db2.gz JYULRVVEHYNUIJ-CUWPLCDZSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1ccccc1)C2 ZINC001111925781 1368564091 /nfs/dbraw/zinc/56/40/91/1368564091.db2.gz JYULRVVEHYNUIJ-CUWPLCDZSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)C[C@@H](C(=O)N1CCC[N@@H+](CCC(C)(C)C)CC1)n1ccnc1 ZINC001196242913 1368574211 /nfs/dbraw/zinc/57/42/11/1368574211.db2.gz PIDXDAMPESKMFW-SFHVURJKSA-N 2 1 348.535 3.441 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[NH+](CCCC2CCCC2)CC1 ZINC001196349505 1368595683 /nfs/dbraw/zinc/59/56/83/1368595683.db2.gz KIRMKYNSINVQCA-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001196349505 1368595687 /nfs/dbraw/zinc/59/56/87/1368595687.db2.gz KIRMKYNSINVQCA-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001196349505 1368595688 /nfs/dbraw/zinc/59/56/88/1368595688.db2.gz KIRMKYNSINVQCA-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CN(C)[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCc4ccc(Br)cc43)C[C@H]21 ZINC001196631717 1368652309 /nfs/dbraw/zinc/65/23/09/1368652309.db2.gz HRAHNXVTIKXGFA-TWMKSMIVSA-N 2 1 335.289 3.318 20 0 EGADMP CN(C)[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCc4ccc(Br)cc43)C[C@H]21 ZINC001196631717 1368652313 /nfs/dbraw/zinc/65/23/13/1368652313.db2.gz HRAHNXVTIKXGFA-TWMKSMIVSA-N 2 1 335.289 3.318 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001197125883 1368750396 /nfs/dbraw/zinc/75/03/96/1368750396.db2.gz NYJIGAFWVKJLBF-BDUNBXCCSA-N 2 1 344.503 3.110 20 0 EGADMP CC[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)[NH+](CC)CC ZINC001197134453 1368752330 /nfs/dbraw/zinc/75/23/30/1368752330.db2.gz RAIVWJHSTFZJNR-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)CCn2ccnc2C(C)C)CC1 ZINC001197323418 1368787669 /nfs/dbraw/zinc/78/76/69/1368787669.db2.gz HTQKFNBYNZDMHG-AATRIKPKSA-N 2 1 346.519 3.287 20 0 EGADMP CC/C=C/CC[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001197323418 1368787673 /nfs/dbraw/zinc/78/76/73/1368787673.db2.gz HTQKFNBYNZDMHG-AATRIKPKSA-N 2 1 346.519 3.287 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001197323418 1368787675 /nfs/dbraw/zinc/78/76/75/1368787675.db2.gz HTQKFNBYNZDMHG-AATRIKPKSA-N 2 1 346.519 3.287 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001197330600 1368789662 /nfs/dbraw/zinc/78/96/62/1368789662.db2.gz CCUIWKLUMGJKTR-PXPVJAHISA-N 2 1 335.536 3.142 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001197396739 1368805803 /nfs/dbraw/zinc/80/58/03/1368805803.db2.gz MFGWQKPLYFIYLZ-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001197396739 1368805807 /nfs/dbraw/zinc/80/58/07/1368805807.db2.gz MFGWQKPLYFIYLZ-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001197396739 1368805812 /nfs/dbraw/zinc/80/58/12/1368805812.db2.gz MFGWQKPLYFIYLZ-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP CC/C=C/CC[NH+]1CCCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001197477942 1368822698 /nfs/dbraw/zinc/82/26/98/1368822698.db2.gz QBQHWHPIYFTLRN-VQHVLOKHSA-N 2 1 337.552 3.389 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001197477942 1368822703 /nfs/dbraw/zinc/82/27/03/1368822703.db2.gz QBQHWHPIYFTLRN-VQHVLOKHSA-N 2 1 337.552 3.389 20 0 EGADMP CC/C=C/CC[N@@H+]1CCCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001197477942 1368822706 /nfs/dbraw/zinc/82/27/06/1368822706.db2.gz QBQHWHPIYFTLRN-VQHVLOKHSA-N 2 1 337.552 3.389 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CCC[N@@H+](CCC(C)(C)C)CC1)C(C)C ZINC001197485062 1368824059 /nfs/dbraw/zinc/82/40/59/1368824059.db2.gz KSTJUCHZYMMCGI-SFHVURJKSA-N 2 1 339.568 3.323 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC[N@@H+](CC2CCC(C)(C)CC2)CC1 ZINC001197491212 1368824992 /nfs/dbraw/zinc/82/49/92/1368824992.db2.gz BLFGAAVAICXRGH-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001112493291 1368890042 /nfs/dbraw/zinc/89/00/42/1368890042.db2.gz UKXXZRNUSLQCBA-RXVVDRJESA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[N@@H+]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001197767101 1368892794 /nfs/dbraw/zinc/89/27/94/1368892794.db2.gz CRULNLPPIWTTER-OAQYLSRUSA-N 2 1 345.531 3.188 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001197767101 1368892803 /nfs/dbraw/zinc/89/28/03/1368892803.db2.gz CRULNLPPIWTTER-OAQYLSRUSA-N 2 1 345.531 3.188 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001197809787 1368903306 /nfs/dbraw/zinc/90/33/06/1368903306.db2.gz INEBUUNWERLDPS-GLCUZYPYSA-N 2 1 349.563 3.388 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2CCCN(C(=O)CCCC[NH+](C)C)CC2)c1 ZINC001197869731 1368915877 /nfs/dbraw/zinc/91/58/77/1368915877.db2.gz AAADNQJPPHGRPP-UHFFFAOYSA-N 2 1 345.531 3.070 20 0 EGADMP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001112586306 1368938008 /nfs/dbraw/zinc/93/80/08/1368938008.db2.gz SGEITIDITPFFRA-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198135863 1368965612 /nfs/dbraw/zinc/96/56/12/1368965612.db2.gz AZQRIXCATUTXHH-ARJAWSKDSA-N 2 1 335.536 3.143 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001198220973 1368982938 /nfs/dbraw/zinc/98/29/38/1368982938.db2.gz AWVNZESISHDYSH-SMJNTDKHSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001198220973 1368982940 /nfs/dbraw/zinc/98/29/40/1368982940.db2.gz AWVNZESISHDYSH-SMJNTDKHSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198244366 1368987573 /nfs/dbraw/zinc/98/75/73/1368987573.db2.gz XHBWOZBFYSTINT-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[NH+]3CCC[C@@H]3C2)cc1 ZINC001325466931 1387983226 /nfs/dbraw/zinc/98/32/26/1387983226.db2.gz DDXGMTBYJMGKCR-HXUWFJFHSA-N 2 1 343.515 3.229 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001325466931 1387983231 /nfs/dbraw/zinc/98/32/31/1387983231.db2.gz DDXGMTBYJMGKCR-HXUWFJFHSA-N 2 1 343.515 3.229 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001325466931 1387983236 /nfs/dbraw/zinc/98/32/36/1387983236.db2.gz DDXGMTBYJMGKCR-HXUWFJFHSA-N 2 1 343.515 3.229 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001200644936 1369404957 /nfs/dbraw/zinc/40/49/57/1369404957.db2.gz UCUPDCAAXPXXSB-INIZCTEOSA-N 2 1 348.535 3.413 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001201313544 1369516560 /nfs/dbraw/zinc/51/65/60/1369516560.db2.gz CXCUZXNYWAYMJX-HNNXBMFYSA-N 2 1 349.494 3.198 20 0 EGADMP C[NH+](C)Cc1cccc(Nc2cccc(F)c2N2CC[NH+](C)CC2)c1 ZINC001201402993 1369537954 /nfs/dbraw/zinc/53/79/54/1369537954.db2.gz HEIBZZWUSZLLNG-UHFFFAOYSA-N 2 1 342.462 3.383 20 0 EGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CC(C)C)CC2 ZINC001201471419 1369551269 /nfs/dbraw/zinc/55/12/69/1369551269.db2.gz SPVOFQQDRAJNNB-IBGZPJMESA-N 2 1 331.504 3.041 20 0 EGADMP CNC(=O)C[N@H+]1CCCC12CC[NH+](CC[C@H](C)CCC=C(C)C)CC2 ZINC001201974822 1369657178 /nfs/dbraw/zinc/65/71/78/1369657178.db2.gz FQNSAQNDKKRGLO-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001202179512 1369709107 /nfs/dbraw/zinc/70/91/07/1369709107.db2.gz XJUOUZABTNPQMZ-VDZMMWBESA-N 2 1 335.536 3.044 20 0 EGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CC1CCC1)CC2 ZINC001202721949 1369865708 /nfs/dbraw/zinc/86/57/08/1369865708.db2.gz KOHPQAXPMSRELK-FQEVSTJZSA-N 2 1 343.515 3.185 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C12CCC2)C1CCC1 ZINC001203026983 1369959205 /nfs/dbraw/zinc/95/92/05/1369959205.db2.gz BGBGMBOIUJAXJO-OALUTQOASA-N 2 1 347.547 3.068 20 0 EGADMP Cc1ncc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)cn1 ZINC001203110204 1369986899 /nfs/dbraw/zinc/98/68/99/1369986899.db2.gz YWMSFDURLSZZRB-IBGZPJMESA-N 2 1 340.471 3.255 20 0 EGADMP Cc1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001203124878 1369990837 /nfs/dbraw/zinc/99/08/37/1369990837.db2.gz ZEFDIMHHBOEHBP-NHCUHLMSSA-N 2 1 336.483 3.129 20 0 EGADMP C[N@H+](Cc1cccc2nonc21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001203137358 1369994569 /nfs/dbraw/zinc/99/45/69/1369994569.db2.gz FWOGCVCGTGTDIK-KRWDZBQOSA-N 2 1 336.439 3.177 20 0 EGADMP C[NH+](Cc1cccc2nonc21)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001203137358 1369994574 /nfs/dbraw/zinc/99/45/74/1369994574.db2.gz FWOGCVCGTGTDIK-KRWDZBQOSA-N 2 1 336.439 3.177 20 0 EGADMP C[NH+](Cc1cccc2nonc21)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001203137358 1369994578 /nfs/dbraw/zinc/99/45/78/1369994578.db2.gz FWOGCVCGTGTDIK-KRWDZBQOSA-N 2 1 336.439 3.177 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001187034287 1388043349 /nfs/dbraw/zinc/04/33/49/1388043349.db2.gz CGRXESMLUZELMT-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@H]([NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1)c1ccc(F)cc1 ZINC001203213884 1370026753 /nfs/dbraw/zinc/02/67/53/1370026753.db2.gz FPVDTJSZEFQUHP-IBGZPJMESA-N 2 1 349.494 3.199 20 0 EGADMP Cn1cccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001203260825 1370046846 /nfs/dbraw/zinc/04/68/46/1370046846.db2.gz GLGLAZISNMRNEG-DZFGPLHGSA-N 2 1 338.499 3.153 20 0 EGADMP Cn1cccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001203260825 1370046850 /nfs/dbraw/zinc/04/68/50/1370046850.db2.gz GLGLAZISNMRNEG-DZFGPLHGSA-N 2 1 338.499 3.153 20 0 EGADMP Cn1cccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001203260825 1370046854 /nfs/dbraw/zinc/04/68/54/1370046854.db2.gz GLGLAZISNMRNEG-DZFGPLHGSA-N 2 1 338.499 3.153 20 0 EGADMP Cn1cccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001203260825 1370046858 /nfs/dbraw/zinc/04/68/58/1370046858.db2.gz GLGLAZISNMRNEG-DZFGPLHGSA-N 2 1 338.499 3.153 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCC(C)C)CC1 ZINC001203283879 1370061951 /nfs/dbraw/zinc/06/19/51/1370061951.db2.gz WKIVYWCMOAQCDZ-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[NH2+][C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203467344 1370136128 /nfs/dbraw/zinc/13/61/28/1370136128.db2.gz APNIELRFJJMCMH-SJORKVTESA-N 2 1 346.519 3.070 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC=C(C)C)C12CCC2 ZINC001203505317 1370147292 /nfs/dbraw/zinc/14/72/92/1370147292.db2.gz CHFJXCGENYHKEV-RTBURBONSA-N 2 1 349.563 3.482 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203640516 1370196772 /nfs/dbraw/zinc/19/67/72/1370196772.db2.gz CURIFRAZVSLGRD-MOPGFXCFSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203652729 1370202582 /nfs/dbraw/zinc/20/25/82/1370202582.db2.gz XAECORGTBFPLJY-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]21 ZINC001115143927 1370306919 /nfs/dbraw/zinc/30/69/19/1370306919.db2.gz NSFJMKDXIDXJLT-KXTWHKPSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203918783 1370314783 /nfs/dbraw/zinc/31/47/83/1370314783.db2.gz CWSKMQRCZDFTKZ-HXUWFJFHSA-N 2 1 345.531 3.306 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc[nH]1)CC2 ZINC001204006286 1370346017 /nfs/dbraw/zinc/34/60/17/1370346017.db2.gz MLWNWIOYWFHZOV-QGZVFWFLSA-N 2 1 345.512 3.332 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2cccc(C)n2)CC1 ZINC001204070265 1370367250 /nfs/dbraw/zinc/36/72/50/1370367250.db2.gz FZJNXRREQFELCD-UHFFFAOYSA-N 2 1 332.536 3.020 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)ccc1O ZINC001204134137 1370385922 /nfs/dbraw/zinc/38/59/22/1370385922.db2.gz MNIBRTGULBOIEQ-MRXNPFEDSA-N 2 1 328.412 3.148 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)cc1 ZINC001204264683 1370425985 /nfs/dbraw/zinc/42/59/85/1370425985.db2.gz WGQIZDOJVHPXIJ-QZTJIDSGSA-N 2 1 326.431 3.289 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)cc1 ZINC001204264683 1370425987 /nfs/dbraw/zinc/42/59/87/1370425987.db2.gz WGQIZDOJVHPXIJ-QZTJIDSGSA-N 2 1 326.431 3.289 20 0 EGADMP CCC[N@@H+](Cc1ccc(OCCC[NH+](C)C)cc1)C1CCOCC1 ZINC001204272146 1370427992 /nfs/dbraw/zinc/42/79/92/1370427992.db2.gz XPTUMDBMKDQUSA-UHFFFAOYSA-N 2 1 334.504 3.408 20 0 EGADMP COC1CC[NH+](C2CC[NH+](Cc3cn(C)c4ccccc34)CC2)CC1 ZINC001204318774 1370442547 /nfs/dbraw/zinc/44/25/47/1370442547.db2.gz AYTUHCAUTGTSCM-UHFFFAOYSA-N 2 1 341.499 3.254 20 0 EGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC001204415730 1370470898 /nfs/dbraw/zinc/47/08/98/1370470898.db2.gz FFGDLMSGYVHHAA-GASCZTMLSA-N 2 1 328.378 3.359 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC001204415730 1370470901 /nfs/dbraw/zinc/47/09/01/1370470901.db2.gz FFGDLMSGYVHHAA-GASCZTMLSA-N 2 1 328.378 3.359 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC001204415730 1370470903 /nfs/dbraw/zinc/47/09/03/1370470903.db2.gz FFGDLMSGYVHHAA-GASCZTMLSA-N 2 1 328.378 3.359 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC001204415730 1370470907 /nfs/dbraw/zinc/47/09/07/1370470907.db2.gz FFGDLMSGYVHHAA-GASCZTMLSA-N 2 1 328.378 3.359 20 0 EGADMP CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC001115538388 1370535333 /nfs/dbraw/zinc/53/53/33/1370535333.db2.gz GKHBQZCWQQPMAC-QGZVFWFLSA-N 2 1 335.536 3.070 20 0 EGADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727689 1370556301 /nfs/dbraw/zinc/55/63/01/1370556301.db2.gz KHYMCHLDQYNCAO-INIZCTEOSA-N 2 1 330.472 3.060 20 0 EGADMP CC[C@@H](F)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579386 1370582725 /nfs/dbraw/zinc/58/27/25/1370582725.db2.gz LGBLPFNLIXXPBG-SJORKVTESA-N 2 1 341.515 3.018 20 0 EGADMP CCCCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115596319 1370597199 /nfs/dbraw/zinc/59/71/99/1370597199.db2.gz ASXOTDOTJIGCRJ-GOSISDBHSA-N 2 1 337.552 3.460 20 0 EGADMP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205240879 1370692482 /nfs/dbraw/zinc/69/24/82/1370692482.db2.gz PALIXOANSYHJJA-NRFANRHFSA-N 2 1 342.483 3.303 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205242592 1370693331 /nfs/dbraw/zinc/69/33/31/1370693331.db2.gz RYYAUUDSEIWWRW-VOFKWLDRSA-N 2 1 335.536 3.044 20 0 EGADMP C[NH+](C)CCCOc1ccc(-c2ccc([C@@H]3CC[N@@H+](C)C3)cc2)cn1 ZINC001205261933 1370698727 /nfs/dbraw/zinc/69/87/27/1370698727.db2.gz UASZIXKEDRQVON-HXUWFJFHSA-N 2 1 339.483 3.498 20 0 EGADMP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205285286 1370706848 /nfs/dbraw/zinc/70/68/48/1370706848.db2.gz VORNEXMAGJEGQV-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115729481 1370711185 /nfs/dbraw/zinc/71/11/85/1370711185.db2.gz HZXKKVKAXOHIOZ-SFHVURJKSA-N 2 1 349.563 3.460 20 0 EGADMP CCC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CCCCC1 ZINC001115729477 1370711292 /nfs/dbraw/zinc/71/12/92/1370711292.db2.gz HVNKPMYZSYWNAF-LJQANCHMSA-N 2 1 341.515 3.018 20 0 EGADMP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115730245 1370713129 /nfs/dbraw/zinc/71/31/29/1370713129.db2.gz GUWVEULWKRFWOH-PWBPZBFBSA-N 2 1 349.563 3.339 20 0 EGADMP CC/C=C\CC[NH2+]C1(CNC(=O)C[N@H+]2CCC(C)(C)C2)CCCCC1 ZINC001115730439 1370713306 /nfs/dbraw/zinc/71/33/06/1370713306.db2.gz JQPCNMGBYQVIPN-WAYWQWQTSA-N 2 1 349.563 3.483 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc3cc(Br)ccc3n2)C[C@H]1C[NH3+] ZINC001205305873 1370714710 /nfs/dbraw/zinc/71/47/10/1370714710.db2.gz TUBFCMNIOXWJMJ-TZMCWYRMSA-N 2 1 348.288 3.414 20 0 EGADMP CC(C)(C)OC(=O)C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001205317137 1370718981 /nfs/dbraw/zinc/71/89/81/1370718981.db2.gz MLVPLDIYKYNJTM-QGZVFWFLSA-N 2 1 332.488 3.220 20 0 EGADMP CC(C)(C)OC(=O)C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001205317137 1370718982 /nfs/dbraw/zinc/71/89/82/1370718982.db2.gz MLVPLDIYKYNJTM-QGZVFWFLSA-N 2 1 332.488 3.220 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cccnc2OCc2ccccc2)C[C@H]1C[NH3+] ZINC001205317356 1370719802 /nfs/dbraw/zinc/71/98/02/1370719802.db2.gz ODGVBQJZEXFTFT-QFBILLFUSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cccnc2OCc2ccccc2)C[C@H]1C[NH3+] ZINC001205317356 1370719806 /nfs/dbraw/zinc/71/98/06/1370719806.db2.gz ODGVBQJZEXFTFT-QFBILLFUSA-N 2 1 325.456 3.077 20 0 EGADMP Cc1c(C)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC001205318532 1370720194 /nfs/dbraw/zinc/72/01/94/1370720194.db2.gz VUBJIXYYQVSALT-XHDPSFHLSA-N 2 1 325.294 3.483 20 0 EGADMP Cc1c(C)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC001205318532 1370720195 /nfs/dbraw/zinc/72/01/95/1370720195.db2.gz VUBJIXYYQVSALT-XHDPSFHLSA-N 2 1 325.294 3.483 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc3cc(Br)cnc3c2)C[C@@H]1C[NH3+] ZINC001205319355 1370721121 /nfs/dbraw/zinc/72/11/21/1370721121.db2.gz ZGMHIQSNYXOFHN-WFASDCNBSA-N 2 1 348.288 3.414 20 0 EGADMP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001205334730 1370725085 /nfs/dbraw/zinc/72/50/85/1370725085.db2.gz QLXLWDULZGMIMN-OYQYDDJWSA-N 2 1 349.563 3.291 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC(C[NH2+]C[C@H](C)CC)CC1 ZINC001205339555 1370725967 /nfs/dbraw/zinc/72/59/67/1370725967.db2.gz HZDWLIZIVILGOW-SJORKVTESA-N 2 1 348.535 3.271 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001205420072 1370749082 /nfs/dbraw/zinc/74/90/82/1370749082.db2.gz CHSVIPZISUVXIS-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001115768908 1370753446 /nfs/dbraw/zinc/75/34/46/1370753446.db2.gz MMWDXPUKKKWASC-ROUUACIJSA-N 2 1 335.536 3.068 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115773088 1370756612 /nfs/dbraw/zinc/75/66/12/1370756612.db2.gz KXICSBDDYHYBAP-UHFFFAOYSA-N 2 1 346.519 3.181 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(F)ccc2Br)CC1 ZINC001205545190 1370787111 /nfs/dbraw/zinc/78/71/11/1370787111.db2.gz AGPXSSUCKUIDIG-CQSZACIVSA-N 2 1 333.220 3.241 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2ccccc2F)CCCCC1 ZINC001115806321 1370789779 /nfs/dbraw/zinc/78/97/79/1370789779.db2.gz SUKNFMZOFBVTOW-UHFFFAOYSA-N 2 1 349.494 3.076 20 0 EGADMP Cc1cc(Br)cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205570376 1370795306 /nfs/dbraw/zinc/79/53/06/1370795306.db2.gz JHUBHACUMAZSRJ-OAHLLOKOSA-N 2 1 329.257 3.410 20 0 EGADMP CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001205570462 1370795767 /nfs/dbraw/zinc/79/57/67/1370795767.db2.gz KGJSEARMXZFIOL-LJQANCHMSA-N 2 1 336.451 3.295 20 0 EGADMP C[C@H]1CC[N@@H+](CCc2ccc(Br)cc2)CC[C@H]1C[NH3+] ZINC001205603548 1370807776 /nfs/dbraw/zinc/80/77/76/1370807776.db2.gz QAYUEHFXLQLELU-ZFWWWQNUSA-N 2 1 325.294 3.298 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c(F)cccc2Br)CC[C@@H]1C[NH3+] ZINC001205617923 1370812961 /nfs/dbraw/zinc/81/29/61/1370812961.db2.gz PGNSKKDUINDFFQ-NWDGAFQWSA-N 2 1 329.257 3.395 20 0 EGADMP COc1cc(OC)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c2ccccc12 ZINC001205925837 1370912885 /nfs/dbraw/zinc/91/28/85/1370912885.db2.gz ZISWDPYFYBFNGK-CABCVRRESA-N 2 1 328.456 3.416 20 0 EGADMP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CCCC[C@H]([NH3+])C3)c2)cc1 ZINC001205937591 1370917693 /nfs/dbraw/zinc/91/76/93/1370917693.db2.gz AUFVOHXTFADOHU-FQEVSTJZSA-N 2 1 338.451 3.453 20 0 EGADMP COC(=O)c1ccc(-c2cccc(C[N@H+]3CCCC[C@H]([NH3+])C3)c2)cc1 ZINC001205937591 1370917697 /nfs/dbraw/zinc/91/76/97/1370917697.db2.gz AUFVOHXTFADOHU-FQEVSTJZSA-N 2 1 338.451 3.453 20 0 EGADMP COc1ccc(Br)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205981780 1370929120 /nfs/dbraw/zinc/92/91/20/1370929120.db2.gz HCHDSAQSYLQJKX-QWHCGFSZSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(Br)cc2F)CCC[C@@H]1C[NH3+] ZINC001205991386 1370931984 /nfs/dbraw/zinc/93/19/84/1370931984.db2.gz ANNCCLSKIGCYPW-NWDGAFQWSA-N 2 1 329.257 3.395 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)c2ccccc21 ZINC001326038889 1388103449 /nfs/dbraw/zinc/10/34/49/1388103449.db2.gz QIKDCJZITHKKLL-DBVUQKKJSA-N 2 1 335.451 3.026 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3F)nc2)CCC[C@H]1C[NH3+] ZINC001206003294 1370935718 /nfs/dbraw/zinc/93/57/18/1370935718.db2.gz GJGATBOCVAHXHX-ZBFHGGJFSA-N 2 1 328.435 3.090 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(Oc3ncccn3)cc2)CCC[C@H]1C[NH3+] ZINC001206005884 1370936194 /nfs/dbraw/zinc/93/61/94/1370936194.db2.gz ZDOKBKVDZIQKTF-WBVHZDCISA-N 2 1 326.444 3.076 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c(C(F)(F)F)nc3sccn23)CCC[C@H]1C[NH3+] ZINC001206013509 1370938605 /nfs/dbraw/zinc/93/86/05/1370938605.db2.gz RTQGSVKOBZXJOJ-QWRGUYRKSA-N 2 1 346.422 3.221 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1OC(=O)C(C)C ZINC001206015006 1370939085 /nfs/dbraw/zinc/93/90/85/1370939085.db2.gz ZGMHUXVIERDYBM-RDJZCZTQSA-N 2 1 348.487 3.063 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1OCC1CC1 ZINC001206036706 1370944972 /nfs/dbraw/zinc/94/49/72/1370944972.db2.gz ONRWAYQFLAKHEP-NVXWUHKLSA-N 2 1 332.488 3.291 20 0 EGADMP CCOC(=O)c1ccc2c(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)c[nH]c2c1 ZINC001206036866 1370945263 /nfs/dbraw/zinc/94/52/63/1370945263.db2.gz SANVBKRSTGORSR-HOCLYGCPSA-N 2 1 343.471 3.151 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](Cc2nccnc2-c2ccc(Cl)cc2)CC[C@@H]1F ZINC001206187395 1370986911 /nfs/dbraw/zinc/98/69/11/1370986911.db2.gz SWUFTNCNZZZJDI-LSDHHAIUSA-N 2 1 334.826 3.058 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](Cc2nccnc2-c2ccc(Cl)cc2)CC[C@@H]1F ZINC001206187395 1370986912 /nfs/dbraw/zinc/98/69/12/1370986912.db2.gz SWUFTNCNZZZJDI-LSDHHAIUSA-N 2 1 334.826 3.058 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(-c2ccccc2)cn1 ZINC001206209055 1370992748 /nfs/dbraw/zinc/99/27/48/1370992748.db2.gz AKUHFEXEGMSHET-QZTJIDSGSA-N 2 1 329.419 3.018 20 0 EGADMP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CCC[NH2+]C[C@@H]3C)c2)cc1 ZINC001206263001 1371007453 /nfs/dbraw/zinc/00/74/53/1371007453.db2.gz LDRNYBDBCKNOCA-INIZCTEOSA-N 2 1 338.451 3.324 20 0 EGADMP COC(=O)c1ccc(-c2cccc(C[N@H+]3CCC[NH2+]C[C@@H]3C)c2)cc1 ZINC001206263001 1371007458 /nfs/dbraw/zinc/00/74/58/1371007458.db2.gz LDRNYBDBCKNOCA-INIZCTEOSA-N 2 1 338.451 3.324 20 0 EGADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc3ncc(Br)cc3c2)C1 ZINC001206284978 1371012401 /nfs/dbraw/zinc/01/24/01/1371012401.db2.gz KFEWWPMKOUKTKN-LBPRGKRZSA-N 2 1 334.261 3.039 20 0 EGADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc3ncc(Br)cc3c2)C1 ZINC001206284978 1371012405 /nfs/dbraw/zinc/01/24/05/1371012405.db2.gz KFEWWPMKOUKTKN-LBPRGKRZSA-N 2 1 334.261 3.039 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(Oc3ncccn3)c2)CC1 ZINC001206304324 1371016049 /nfs/dbraw/zinc/01/60/49/1371016049.db2.gz IRDKRAZPFMYTNP-LJQANCHMSA-N 2 1 326.444 3.220 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2sc(N3CCCC3)nc2Cl)CC1 ZINC001206311026 1371018087 /nfs/dbraw/zinc/01/80/87/1371018087.db2.gz GKXDRWLKPLOIMQ-INIZCTEOSA-N 2 1 342.940 3.348 20 0 EGADMP CCSc1ncc2cccc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)n21 ZINC001206336730 1371027061 /nfs/dbraw/zinc/02/70/61/1371027061.db2.gz OCIGUOSXKAZDLI-GOSISDBHSA-N 2 1 332.517 3.397 20 0 EGADMP Cc1[nH+]ccn1CCCc1nnc([C@@H](C)C[NH+]2CCC(C)CC2)o1 ZINC001117250423 1371029009 /nfs/dbraw/zinc/02/90/09/1371029009.db2.gz HWLUMAZMZQZWCG-HNNXBMFYSA-N 2 1 331.464 3.043 20 0 EGADMP [NH3+]CCC1CC[NH+](Cc2cc3c(cccc3Br)[nH]2)CC1 ZINC001206506758 1371076805 /nfs/dbraw/zinc/07/68/05/1371076805.db2.gz OJZJUDWDYFMBNT-UHFFFAOYSA-N 2 1 336.277 3.491 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001117789068 1371084220 /nfs/dbraw/zinc/08/42/20/1371084220.db2.gz GGMIQRILSOVNJH-MQVJKMGUSA-N 2 1 334.533 3.157 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001117789068 1371084223 /nfs/dbraw/zinc/08/42/23/1371084223.db2.gz GGMIQRILSOVNJH-MQVJKMGUSA-N 2 1 334.533 3.157 20 0 EGADMP C[C@]1(C[NH3+])CCCCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001206540136 1371087448 /nfs/dbraw/zinc/08/74/48/1371087448.db2.gz AMCUNDJFUUSYQR-LEWJYISDSA-N 2 1 329.532 3.492 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)ccc1OC(=O)C(C)C ZINC001206566352 1371095468 /nfs/dbraw/zinc/09/54/68/1371095468.db2.gz ZZWZZYAOBGLVSQ-HXUWFJFHSA-N 2 1 348.487 3.208 20 0 EGADMP COC(=O)c1cccc2c(C[N@@H+](C(C)C)[C@@H]3CCC[NH2+]CC3)c[nH]c21 ZINC001206599561 1371105322 /nfs/dbraw/zinc/10/53/22/1371105322.db2.gz UZGCBUVCSKJDNW-MRXNPFEDSA-N 2 1 343.471 3.307 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@@H+](CCCc2ccccc2Br)C1 ZINC001206606598 1371107859 /nfs/dbraw/zinc/10/78/59/1371107859.db2.gz QVVLRRAHQLTELG-CQSZACIVSA-N 2 1 325.294 3.443 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC001118221757 1371148933 /nfs/dbraw/zinc/14/89/33/1371148933.db2.gz KJSYZRAHCDMATF-HNNXBMFYSA-N 2 1 343.393 3.367 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001206794141 1371169138 /nfs/dbraw/zinc/16/91/38/1371169138.db2.gz JHWNRGQEAJARGN-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP COc1ccc2c(OC)ccc(C[N@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)c2c1 ZINC001206808842 1371175975 /nfs/dbraw/zinc/17/59/75/1371175975.db2.gz KRGTXLKTQCWIOK-LSDHHAIUSA-N 2 1 328.456 3.416 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC(C[NH2+]CC(C)C)CC1)c1ccccc1 ZINC001206868767 1371196765 /nfs/dbraw/zinc/19/67/65/1371196765.db2.gz CRSYDOVKLFADII-HXUWFJFHSA-N 2 1 345.531 3.164 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001206952222 1371242928 /nfs/dbraw/zinc/24/29/28/1371242928.db2.gz FCHZWSCDDZFDND-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001206953643 1371243702 /nfs/dbraw/zinc/24/37/02/1371243702.db2.gz WYAXRDWWIWMGDX-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CCc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC001118874177 1371244515 /nfs/dbraw/zinc/24/45/15/1371244515.db2.gz UHCQDHKYKJXBEW-UHFFFAOYSA-N 2 1 339.483 3.381 20 0 EGADMP CCc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC001118874177 1371244517 /nfs/dbraw/zinc/24/45/17/1371244517.db2.gz UHCQDHKYKJXBEW-UHFFFAOYSA-N 2 1 339.483 3.381 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206974982 1371255605 /nfs/dbraw/zinc/25/56/05/1371255605.db2.gz ZGQSZTIUDIVFRF-YZBXUTEPSA-N 2 1 349.563 3.434 20 0 EGADMP CCN(Cc1[nH+]cc2ccccn21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001207057528 1371281684 /nfs/dbraw/zinc/28/16/84/1371281684.db2.gz OFEXMBWJWTUMCM-FQEVSTJZSA-N 2 1 334.467 3.431 20 0 EGADMP CCN(Cc1[nH+]cc2ccccn21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001207057528 1371281688 /nfs/dbraw/zinc/28/16/88/1371281688.db2.gz OFEXMBWJWTUMCM-FQEVSTJZSA-N 2 1 334.467 3.431 20 0 EGADMP CC[N@@H+](C)C1CC[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001207199333 1371327380 /nfs/dbraw/zinc/32/73/80/1371327380.db2.gz ZGHHCSAEBTWGQE-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP C[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001207276547 1371347186 /nfs/dbraw/zinc/34/71/86/1371347186.db2.gz ZBOKWEVVWUJQOC-JKSUJKDBSA-N 2 1 341.540 3.057 20 0 EGADMP CCOC(=O)[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)C[C@H]1c1ccccc1 ZINC001207282005 1371349560 /nfs/dbraw/zinc/34/95/60/1371349560.db2.gz BTKDIMAYVSXSPD-OALUTQOASA-N 2 1 346.515 3.243 20 0 EGADMP CCOC(=O)[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C[C@H]1c1ccccc1 ZINC001207282005 1371349563 /nfs/dbraw/zinc/34/95/63/1371349563.db2.gz BTKDIMAYVSXSPD-OALUTQOASA-N 2 1 346.515 3.243 20 0 EGADMP CC[N@@H+](CC(C)(C)C[NH+](C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207282623 1371349794 /nfs/dbraw/zinc/34/97/94/1371349794.db2.gz MLBJATZQLBIOMZ-INIZCTEOSA-N 2 1 341.540 3.296 20 0 EGADMP FC1C[C@@H]2COC[C@H](C1)[N@H+]2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207292796 1371352491 /nfs/dbraw/zinc/35/24/91/1371352491.db2.gz ZOLNEFPGNFLLJR-IHWFROFDSA-N 2 1 332.463 3.100 20 0 EGADMP CC1(C)C[C@@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC001207357597 1371372142 /nfs/dbraw/zinc/37/21/42/1371372142.db2.gz ASCPKSFSDQCXHE-SLFFLAALSA-N 2 1 328.500 3.255 20 0 EGADMP CC1(C)C[C@@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC001207357597 1371372146 /nfs/dbraw/zinc/37/21/46/1371372146.db2.gz ASCPKSFSDQCXHE-SLFFLAALSA-N 2 1 328.500 3.255 20 0 EGADMP CC1(C)C[C@@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC001207357597 1371372150 /nfs/dbraw/zinc/37/21/50/1371372150.db2.gz ASCPKSFSDQCXHE-SLFFLAALSA-N 2 1 328.500 3.255 20 0 EGADMP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)[N@H+]1CCCC[C@@H]1C ZINC001119697888 1371389517 /nfs/dbraw/zinc/38/95/17/1371389517.db2.gz CQEUCEJWQSVVMV-IRXDYDNUSA-N 2 1 347.503 3.258 20 0 EGADMP CC(C)(C)OC(=O)Nc1cccc2c1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207441643 1371396533 /nfs/dbraw/zinc/39/65/33/1371396533.db2.gz HVYCUPGTEKPQEZ-UHFFFAOYSA-N 2 1 345.487 3.391 20 0 EGADMP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207479809 1371408459 /nfs/dbraw/zinc/40/84/59/1371408459.db2.gz OSMQOZJHXLVUAI-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207487824 1371410424 /nfs/dbraw/zinc/41/04/24/1371410424.db2.gz TXXXRIVILVSJLO-UHFFFAOYSA-N 3 1 347.522 3.454 20 0 EGADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207487824 1371410432 /nfs/dbraw/zinc/41/04/32/1371410432.db2.gz TXXXRIVILVSJLO-UHFFFAOYSA-N 2 1 347.522 3.454 20 0 EGADMP CC(C)CCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120010371 1371454264 /nfs/dbraw/zinc/45/42/64/1371454264.db2.gz OZXUNQKBYXZSEY-SFHVURJKSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001120208288 1371504948 /nfs/dbraw/zinc/50/49/48/1371504948.db2.gz YFRUJRDIGPQSNT-UHFFFAOYSA-N 2 1 335.536 3.236 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCC1([NH2+]CC2CC2)CCCCC1)c1ccccc1 ZINC001120212801 1371506399 /nfs/dbraw/zinc/50/63/99/1371506399.db2.gz BABZVNLWHHGNLY-LJQANCHMSA-N 2 1 343.515 3.108 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CCCO3)C[C@@H]21 ZINC001207852031 1371519600 /nfs/dbraw/zinc/51/96/00/1371519600.db2.gz BZQQBTISJPJUKJ-ZAWLATJESA-N 2 1 334.529 3.459 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCCO3)C[C@@H]21 ZINC001207852031 1371519607 /nfs/dbraw/zinc/51/96/07/1371519607.db2.gz BZQQBTISJPJUKJ-ZAWLATJESA-N 2 1 334.529 3.459 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCO3)C[C@@H]21 ZINC001207852031 1371519611 /nfs/dbraw/zinc/51/96/11/1371519611.db2.gz BZQQBTISJPJUKJ-ZAWLATJESA-N 2 1 334.529 3.459 20 0 EGADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C[C@H]2CCCO2)CC3)c1 ZINC001207853657 1371520046 /nfs/dbraw/zinc/52/00/46/1371520046.db2.gz QUTHPGRBIHQQKO-HXUWFJFHSA-N 2 1 344.499 3.162 20 0 EGADMP C[C@@H](C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1)c1ccccc1 ZINC001207907704 1371534788 /nfs/dbraw/zinc/53/47/88/1371534788.db2.gz WCRCZVUVMACSCI-VLCRHTCISA-N 2 1 342.527 3.470 20 0 EGADMP C[C@@H](C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1)c1ccccc1 ZINC001207907704 1371534793 /nfs/dbraw/zinc/53/47/93/1371534793.db2.gz WCRCZVUVMACSCI-VLCRHTCISA-N 2 1 342.527 3.470 20 0 EGADMP CCCCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120463285 1371584953 /nfs/dbraw/zinc/58/49/53/1371584953.db2.gz YFNBYLORARFXGL-PMACEKPBSA-N 2 1 349.563 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@@H]([NH2+]CC(CC)CC)C1 ZINC001208073180 1371587622 /nfs/dbraw/zinc/58/76/22/1371587622.db2.gz DUHCYRLLBRODDA-FUHWJXTLSA-N 2 1 348.535 3.413 20 0 EGADMP c1cnn(CCC[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001208086417 1371592374 /nfs/dbraw/zinc/59/23/74/1371592374.db2.gz MHOUKJSTTRPQBY-NHCUHLMSSA-N 2 1 338.499 3.117 20 0 EGADMP c1cnn(CCC[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001208086417 1371592377 /nfs/dbraw/zinc/59/23/77/1371592377.db2.gz MHOUKJSTTRPQBY-NHCUHLMSSA-N 2 1 338.499 3.117 20 0 EGADMP c1cnn(CCC[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001208086417 1371592382 /nfs/dbraw/zinc/59/23/82/1371592382.db2.gz MHOUKJSTTRPQBY-NHCUHLMSSA-N 2 1 338.499 3.117 20 0 EGADMP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208108072 1371597186 /nfs/dbraw/zinc/59/71/86/1371597186.db2.gz PGQWCSGUOSXVNI-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001208113863 1371600021 /nfs/dbraw/zinc/60/00/21/1371600021.db2.gz JCEKNBSPDJZHOI-QRQLOZEOSA-N 2 1 349.563 3.124 20 0 EGADMP CS[C@H](C)CC[N@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001208145342 1371609210 /nfs/dbraw/zinc/60/92/10/1371609210.db2.gz UWEBQKZPTKBRNT-RBSFLKMASA-N 2 1 325.547 3.181 20 0 EGADMP COC(=O)CC[N@@H+](Cc1ccccc1)CC1(C[NH+](C)C)CCCC1 ZINC001208190469 1371631518 /nfs/dbraw/zinc/63/15/18/1371631518.db2.gz FEERFRMAMZBMRI-UHFFFAOYSA-N 2 1 332.488 3.174 20 0 EGADMP CC[NH+](CC)C1CC[NH+](C[C@H](C)Cc2ccc3c(c2)OCO3)CC1 ZINC001208222940 1371661430 /nfs/dbraw/zinc/66/14/30/1371661430.db2.gz VUDOAIGYWDEONG-MRXNPFEDSA-N 2 1 332.488 3.400 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208279302 1371695620 /nfs/dbraw/zinc/69/56/20/1371695620.db2.gz MXXCGMMAZIWATB-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208330885 1371720097 /nfs/dbraw/zinc/72/00/97/1371720097.db2.gz HLCVGLGHDZIGPU-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208363362 1371735554 /nfs/dbraw/zinc/73/55/54/1371735554.db2.gz XYPOSYMSRYKEMC-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001208401953 1371754674 /nfs/dbraw/zinc/75/46/74/1371754674.db2.gz MDMYXHSXDPHRMB-RLLQIKCJSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001208401953 1371754682 /nfs/dbraw/zinc/75/46/82/1371754682.db2.gz MDMYXHSXDPHRMB-RLLQIKCJSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001208401953 1371754686 /nfs/dbraw/zinc/75/46/86/1371754686.db2.gz MDMYXHSXDPHRMB-RLLQIKCJSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001208447633 1371769890 /nfs/dbraw/zinc/76/98/90/1371769890.db2.gz PEXXSUTXUUMZJX-IBGZPJMESA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001208453393 1371771735 /nfs/dbraw/zinc/77/17/35/1371771735.db2.gz GHTRXDFTGQXTGM-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208475358 1371782117 /nfs/dbraw/zinc/78/21/17/1371782117.db2.gz TVHNREVCOVSPHG-GLCUZYPYSA-N 2 1 349.563 3.434 20 0 EGADMP CN(CCC[NH+]1CCCC1)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208588675 1371829791 /nfs/dbraw/zinc/82/97/91/1371829791.db2.gz KFNRTVMHXDFTEQ-OAQYLSRUSA-N 2 1 329.532 3.459 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C[C@H]1CCC[NH+](C)C1 ZINC001208616547 1371844087 /nfs/dbraw/zinc/84/40/87/1371844087.db2.gz LJSPOJFQJXGKOT-JBACZVJFSA-N 2 1 329.532 3.171 20 0 EGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC001208616547 1371844092 /nfs/dbraw/zinc/84/40/92/1371844092.db2.gz LJSPOJFQJXGKOT-JBACZVJFSA-N 2 1 329.532 3.171 20 0 EGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC001208616547 1371844094 /nfs/dbraw/zinc/84/40/94/1371844094.db2.gz LJSPOJFQJXGKOT-JBACZVJFSA-N 2 1 329.532 3.171 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208637157 1371848223 /nfs/dbraw/zinc/84/82/23/1371848223.db2.gz IFCMVKSMDLOUEF-AQRBRUGDSA-N 2 1 337.552 3.147 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121103358 1371855060 /nfs/dbraw/zinc/85/50/60/1371855060.db2.gz WHLFYUDYVNDUGS-QAELIBMJSA-N 2 1 335.536 3.066 20 0 EGADMP CC(C)[N@@H+](CCOCCOCc1ccccc1)C1CCN(C)CC1 ZINC001208753487 1371884243 /nfs/dbraw/zinc/88/42/43/1371884243.db2.gz JZEGSBDFQMFHLW-UHFFFAOYSA-N 2 1 334.504 3.024 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(CC)CC)C2 ZINC001121194324 1371885962 /nfs/dbraw/zinc/88/59/62/1371885962.db2.gz QGQFPWANMIOSRI-FCOWATRHSA-N 2 1 349.563 3.314 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC1CCC1)C2 ZINC001121295148 1371926453 /nfs/dbraw/zinc/92/64/53/1371926453.db2.gz SANRRLNIZMCVCP-MBEFBZSESA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001121294973 1371926627 /nfs/dbraw/zinc/92/66/27/1371926627.db2.gz KBZDMEROIQGAGS-RBUNFDSBSA-N 2 1 349.563 3.170 20 0 EGADMP C[C@H](C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2)C(F)(F)F ZINC001208888488 1371932694 /nfs/dbraw/zinc/93/26/94/1371932694.db2.gz QFJQFDCQBXJSBT-CQSZACIVSA-N 2 1 346.393 3.145 20 0 EGADMP C[C@H](C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2)C(F)(F)F ZINC001208888488 1371932697 /nfs/dbraw/zinc/93/26/97/1371932697.db2.gz QFJQFDCQBXJSBT-CQSZACIVSA-N 2 1 346.393 3.145 20 0 EGADMP CC(C)C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208934755 1371951686 /nfs/dbraw/zinc/95/16/86/1371951686.db2.gz IRNPJXGUTIKZND-NRFANRHFSA-N 2 1 329.532 3.172 20 0 EGADMP CCOC(=O)C1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208937749 1371953242 /nfs/dbraw/zinc/95/32/42/1371953242.db2.gz SSVJYUBCTQNXQS-IBGZPJMESA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)C1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208937749 1371953245 /nfs/dbraw/zinc/95/32/45/1371953245.db2.gz SSVJYUBCTQNXQS-IBGZPJMESA-N 2 1 344.499 3.174 20 0 EGADMP CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208947390 1371958767 /nfs/dbraw/zinc/95/87/67/1371958767.db2.gz BHSDDEZUVXHMTM-RBUKOAKNSA-N 2 1 344.499 3.172 20 0 EGADMP CC(C)(C)OC(=O)[C@@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947390 1371958772 /nfs/dbraw/zinc/95/87/72/1371958772.db2.gz BHSDDEZUVXHMTM-RBUKOAKNSA-N 2 1 344.499 3.172 20 0 EGADMP CC(C)(C)OC(=O)[C@@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947390 1371958781 /nfs/dbraw/zinc/95/87/81/1371958781.db2.gz BHSDDEZUVXHMTM-RBUKOAKNSA-N 2 1 344.499 3.172 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209133577 1372010222 /nfs/dbraw/zinc/01/02/22/1372010222.db2.gz HNQRTBNVAZERBO-CEXWTWQISA-N 2 1 337.552 3.268 20 0 EGADMP CC(=O)OC(C)(C)CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209153316 1372017068 /nfs/dbraw/zinc/01/70/68/1372017068.db2.gz GMOAVRLLDZEVGK-BGYRXZFFSA-N 2 1 344.499 3.172 20 0 EGADMP CC(=O)OC(C)(C)CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209153316 1372017069 /nfs/dbraw/zinc/01/70/69/1372017069.db2.gz GMOAVRLLDZEVGK-BGYRXZFFSA-N 2 1 344.499 3.172 20 0 EGADMP CC(=O)OC(C)(C)CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209153316 1372017070 /nfs/dbraw/zinc/01/70/70/1372017070.db2.gz GMOAVRLLDZEVGK-BGYRXZFFSA-N 2 1 344.499 3.172 20 0 EGADMP COCCCC[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001209214238 1372040838 /nfs/dbraw/zinc/04/08/38/1372040838.db2.gz CAHUQMOVYKKKSE-UHFFFAOYSA-N 2 1 331.504 3.185 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001121767564 1372074451 /nfs/dbraw/zinc/07/44/51/1372074451.db2.gz HLCDSLCSSQUEIW-FSCGBILYSA-N 2 1 347.547 3.234 20 0 EGADMP CCCCCC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001121767999 1372074926 /nfs/dbraw/zinc/07/49/26/1372074926.db2.gz URFLVUDVRJXORF-UFQJCFOOSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001121767760 1372074940 /nfs/dbraw/zinc/07/49/40/1372074940.db2.gz KAKFCHMFNKQODM-IAAUGFHKSA-N 2 1 349.563 3.170 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857898 1388178663 /nfs/dbraw/zinc/17/86/63/1388178663.db2.gz UQFZGXSPECLOKO-STEYPSJLSA-N 2 1 347.547 3.138 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001187857898 1388178667 /nfs/dbraw/zinc/17/86/67/1388178667.db2.gz UQFZGXSPECLOKO-STEYPSJLSA-N 2 1 347.547 3.138 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001187857898 1388178672 /nfs/dbraw/zinc/17/86/72/1388178672.db2.gz UQFZGXSPECLOKO-STEYPSJLSA-N 2 1 347.547 3.138 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001121861821 1372106521 /nfs/dbraw/zinc/10/65/21/1372106521.db2.gz XTKZAYHIQGRWDN-FCOWATRHSA-N 2 1 349.563 3.457 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH]1 ZINC001209572259 1372140278 /nfs/dbraw/zinc/14/02/78/1372140278.db2.gz DYWXGMFOYMZLMK-YYWHXJBOSA-N 2 1 338.499 3.451 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH]1 ZINC001209572259 1372140284 /nfs/dbraw/zinc/14/02/84/1372140284.db2.gz DYWXGMFOYMZLMK-YYWHXJBOSA-N 2 1 338.499 3.451 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)[nH]1 ZINC001209572259 1372140285 /nfs/dbraw/zinc/14/02/85/1372140285.db2.gz DYWXGMFOYMZLMK-YYWHXJBOSA-N 2 1 338.499 3.451 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)[nH]1 ZINC001209572259 1372140291 /nfs/dbraw/zinc/14/02/91/1372140291.db2.gz DYWXGMFOYMZLMK-YYWHXJBOSA-N 2 1 338.499 3.451 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C)C(C)C ZINC001209586269 1372143977 /nfs/dbraw/zinc/14/39/77/1372143977.db2.gz ZIXLNSKRQPICOY-QRVBRYPASA-N 2 1 339.568 3.226 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC001121991474 1372147949 /nfs/dbraw/zinc/14/79/49/1372147949.db2.gz RSEBTFKIZLECGB-RCCFBDPRSA-N 2 1 338.455 3.134 20 0 EGADMP Cn1cc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c2cccnc21 ZINC001209748623 1372183041 /nfs/dbraw/zinc/18/30/41/1372183041.db2.gz FOKLURBQAKLFCI-ZWKOTPCHSA-N 2 1 326.488 3.412 20 0 EGADMP Cn1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c2cccnc21 ZINC001209748623 1372183044 /nfs/dbraw/zinc/18/30/44/1372183044.db2.gz FOKLURBQAKLFCI-ZWKOTPCHSA-N 2 1 326.488 3.412 20 0 EGADMP Cn1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c2cccnc21 ZINC001209748623 1372183047 /nfs/dbraw/zinc/18/30/47/1372183047.db2.gz FOKLURBQAKLFCI-ZWKOTPCHSA-N 2 1 326.488 3.412 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC1CCC(C)CC1)C2 ZINC001122248909 1372211550 /nfs/dbraw/zinc/21/15/50/1372211550.db2.gz NYDFKZPOISTVAV-UHFFFAOYSA-N 2 1 349.563 3.170 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209932827 1372235176 /nfs/dbraw/zinc/23/51/76/1372235176.db2.gz VIUYBCFNRZVURU-GOSISDBHSA-N 2 1 348.535 3.413 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)CC)C[C@H]1C ZINC001210236294 1372301156 /nfs/dbraw/zinc/30/11/56/1372301156.db2.gz LVOILGRCSMZAPO-GUDVDZBRSA-N 2 1 339.568 3.371 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC001326445501 1388191015 /nfs/dbraw/zinc/19/10/15/1388191015.db2.gz WZQMUUXPKNFUKT-DZKIICNBSA-N 2 1 336.549 3.247 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](CC=C(C)C)C[C@H]1C)c1ccccc1 ZINC001210243497 1372302889 /nfs/dbraw/zinc/30/28/89/1372302889.db2.gz MDEYBLKGDNCQRI-RLLQIKCJSA-N 2 1 343.515 3.082 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](CC=C(C)C)C[C@H]1C)c1ccccc1 ZINC001210243497 1372302893 /nfs/dbraw/zinc/30/28/93/1372302893.db2.gz MDEYBLKGDNCQRI-RLLQIKCJSA-N 2 1 343.515 3.082 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C)c1ccccc1 ZINC001210243497 1372302895 /nfs/dbraw/zinc/30/28/95/1372302895.db2.gz MDEYBLKGDNCQRI-RLLQIKCJSA-N 2 1 343.515 3.082 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C)c1ccccc1 ZINC001210243497 1372302900 /nfs/dbraw/zinc/30/29/00/1372302900.db2.gz MDEYBLKGDNCQRI-RLLQIKCJSA-N 2 1 343.515 3.082 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCC2CC2)C1)c1ccccc1 ZINC001210645395 1372398577 /nfs/dbraw/zinc/39/85/77/1372398577.db2.gz QZJHXWSMZUMNPO-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001210796754 1372428043 /nfs/dbraw/zinc/42/80/43/1372428043.db2.gz JMVYMFFLFYYKOY-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001210796796 1372428100 /nfs/dbraw/zinc/42/81/00/1372428100.db2.gz KJCNAJZEXGXVJM-AZUAARDMSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001210796755 1372428153 /nfs/dbraw/zinc/42/81/53/1372428153.db2.gz JMVYMFFLFYYKOY-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001210811741 1372431243 /nfs/dbraw/zinc/43/12/43/1372431243.db2.gz QIMMWBLQQDCOMB-RTBURBONSA-N 2 1 345.531 3.287 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001326466881 1388201094 /nfs/dbraw/zinc/20/10/94/1388201094.db2.gz DREUBHLESDLKHF-OXQOHEQNSA-N 2 1 345.531 3.484 20 0 EGADMP COc1cc(C)cc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1 ZINC001212145638 1372663660 /nfs/dbraw/zinc/66/36/60/1372663660.db2.gz ZYYLZOZLECUAGB-INIZCTEOSA-N 2 1 332.448 3.222 20 0 EGADMP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C)c1ccccc1 ZINC001214990358 1373152365 /nfs/dbraw/zinc/15/23/65/1373152365.db2.gz LYJCGPCIBMQNIL-BHIYHBOVSA-N 2 1 345.531 3.305 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+]CC1CCC2(CC2)CC1 ZINC001127680349 1373158947 /nfs/dbraw/zinc/15/89/47/1373158947.db2.gz WAPZOYOWIHASEU-INIZCTEOSA-N 2 1 346.519 3.073 20 0 EGADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326584274 1388247541 /nfs/dbraw/zinc/24/75/41/1388247541.db2.gz UJVSSRNISFBGCH-KRWDZBQOSA-N 2 1 329.488 3.096 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001216323591 1373300290 /nfs/dbraw/zinc/30/02/90/1373300290.db2.gz HTIVYOAZRCZTQO-IBAHQSOCSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001129422068 1373382253 /nfs/dbraw/zinc/38/22/53/1373382253.db2.gz DXMXJCWTQFUFCQ-FQEVSTJZSA-N 2 1 343.515 3.033 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001129422798 1373382520 /nfs/dbraw/zinc/38/25/20/1373382520.db2.gz LOWBQTBATVAODM-IBGZPJMESA-N 2 1 337.552 3.316 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)c1ccc(C(C)(C)C)cc1 ZINC001129535363 1373394527 /nfs/dbraw/zinc/39/45/27/1373394527.db2.gz OLENGHXLRUSACP-MRXNPFEDSA-N 2 1 345.531 3.235 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)c1 ZINC001130622417 1373570860 /nfs/dbraw/zinc/57/08/60/1373570860.db2.gz HPYHFMHJZPTUCH-QGZVFWFLSA-N 2 1 345.531 3.415 20 0 EGADMP c1ccc(C[N@@H+]2CCc3nc(O[C@@H]4C[C@@H]5CC[NH2+][C@H]5C4)ccc3C2)cc1 ZINC001218245388 1373582572 /nfs/dbraw/zinc/58/25/72/1373582572.db2.gz FMBRQZPCHKYWCQ-DSKINZAPSA-N 2 1 349.478 3.159 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(O[C@@H]4C[C@@H]5CC[NH2+][C@H]5C4)ccc3C2)cc1 ZINC001218245388 1373582577 /nfs/dbraw/zinc/58/25/77/1373582577.db2.gz FMBRQZPCHKYWCQ-DSKINZAPSA-N 2 1 349.478 3.159 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001221553134 1373779932 /nfs/dbraw/zinc/77/99/32/1373779932.db2.gz SIRAZRSSAOGNJN-ASIGSXEYSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848290 1373798114 /nfs/dbraw/zinc/79/81/14/1373798114.db2.gz IMDSOTGWUCDQHE-RDSHDKLTSA-N 2 1 347.547 3.140 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCC3CCCCCC3)C[C@H]21 ZINC001221921671 1373804281 /nfs/dbraw/zinc/80/42/81/1373804281.db2.gz DYVZMMGCKOSYSX-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCC3CCCCCC3)C[C@H]21 ZINC001221921671 1373804283 /nfs/dbraw/zinc/80/42/83/1373804283.db2.gz DYVZMMGCKOSYSX-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CCC3CCCCCC3)C[C@H]21 ZINC001221921671 1373804289 /nfs/dbraw/zinc/80/42/89/1373804289.db2.gz DYVZMMGCKOSYSX-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP Fc1cc(F)cc(-c2n[nH]cc2C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001222272626 1373822982 /nfs/dbraw/zinc/82/29/82/1373822982.db2.gz XKNSXAVOUCWJBQ-LJQANCHMSA-N 2 1 346.425 3.321 20 0 EGADMP Fc1cc(F)cc(-c2n[nH]cc2C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001222272626 1373822992 /nfs/dbraw/zinc/82/29/92/1373822992.db2.gz XKNSXAVOUCWJBQ-LJQANCHMSA-N 2 1 346.425 3.321 20 0 EGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001326796354 1388312909 /nfs/dbraw/zinc/31/29/09/1388312909.db2.gz UOLWLLKDRWEYLB-VVLHAWIVSA-N 2 1 339.524 3.285 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCc2ncc[nH]2)C[N@H+]1CCC1=CCCCC1 ZINC001132024891 1375104458 /nfs/dbraw/zinc/10/44/58/1375104458.db2.gz JPAFASGLPWKJRK-WMZOPIPTSA-N 2 1 344.503 3.202 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001132041381 1375113175 /nfs/dbraw/zinc/11/31/75/1375113175.db2.gz CXNRIKTXCUSYHU-ROUUACIJSA-N 2 1 337.552 3.410 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1CC[NH+](CCC2CCCC2)CC1 ZINC001225543048 1375122387 /nfs/dbraw/zinc/12/23/87/1375122387.db2.gz QGCHSAIZQIBRJA-HDICACEKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CC1CCCCCC1 ZINC001132105551 1375149773 /nfs/dbraw/zinc/14/97/73/1375149773.db2.gz IUJNHYFDFVCGTM-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCCC1CCCC1 ZINC001132105936 1375151511 /nfs/dbraw/zinc/15/15/11/1375151511.db2.gz OPVKGRFTCVHZCU-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCCC1CCCC1 ZINC001132105936 1375151516 /nfs/dbraw/zinc/15/15/16/1375151516.db2.gz OPVKGRFTCVHZCU-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCCC1CCCC1 ZINC001132105936 1375151518 /nfs/dbraw/zinc/15/15/18/1375151518.db2.gz OPVKGRFTCVHZCU-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132141959 1375166900 /nfs/dbraw/zinc/16/69/00/1375166900.db2.gz WBDCLSCUHCCUIF-QZTJIDSGSA-N 2 1 346.519 3.067 20 0 EGADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccccc2F)C1 ZINC001132152676 1375172714 /nfs/dbraw/zinc/17/27/14/1375172714.db2.gz HIXFGCYUGAZMOS-DOTOQJQBSA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccccc2F)C1 ZINC001132152676 1375172717 /nfs/dbraw/zinc/17/27/17/1375172717.db2.gz HIXFGCYUGAZMOS-DOTOQJQBSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2F)C1 ZINC001132152676 1375172719 /nfs/dbraw/zinc/17/27/19/1375172719.db2.gz HIXFGCYUGAZMOS-DOTOQJQBSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2F)C1 ZINC001132152676 1375172722 /nfs/dbraw/zinc/17/27/22/1375172722.db2.gz HIXFGCYUGAZMOS-DOTOQJQBSA-N 2 1 349.494 3.025 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001132214963 1375213226 /nfs/dbraw/zinc/21/32/26/1375213226.db2.gz PQXQVGSZMWLFGR-IKSUFZCESA-N 2 1 335.536 3.186 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CCC1=CCCCC1 ZINC001132265585 1375253877 /nfs/dbraw/zinc/25/38/77/1375253877.db2.gz PEIAJTBYPFBJME-IEBWSBKVSA-N 2 1 347.547 3.188 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001226775114 1375330888 /nfs/dbraw/zinc/33/08/88/1375330888.db2.gz RIRDBVOCUMTUHK-KURKYZTESA-N 2 1 346.519 3.214 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CCC2)C1 ZINC001132366145 1375331050 /nfs/dbraw/zinc/33/10/50/1375331050.db2.gz XDSPJQZVEHDFDL-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCC2)C1 ZINC001132366145 1375331054 /nfs/dbraw/zinc/33/10/54/1375331054.db2.gz XDSPJQZVEHDFDL-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CCC2)C1 ZINC001132366145 1375331058 /nfs/dbraw/zinc/33/10/58/1375331058.db2.gz XDSPJQZVEHDFDL-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001226775022 1375331092 /nfs/dbraw/zinc/33/10/92/1375331092.db2.gz PKIJKYHRSVGMSB-LXEGMVBOSA-N 2 1 344.503 3.134 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2c(C)cccc2C)C1 ZINC001132376619 1375339156 /nfs/dbraw/zinc/33/91/56/1375339156.db2.gz PGBUCMCXBSMFJA-OALUTQOASA-N 2 1 345.531 3.114 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC001226889861 1375352797 /nfs/dbraw/zinc/35/27/97/1375352797.db2.gz DIACAZKEUGOOGB-RCCFBDPRSA-N 2 1 341.515 3.018 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132409648 1375358998 /nfs/dbraw/zinc/35/89/98/1375358998.db2.gz CIIJJGSHRLWEJL-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132411053 1375360607 /nfs/dbraw/zinc/36/06/07/1375360607.db2.gz SFVIJBKZAIOAPO-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001132411053 1375360613 /nfs/dbraw/zinc/36/06/13/1375360613.db2.gz SFVIJBKZAIOAPO-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001132411053 1375360617 /nfs/dbraw/zinc/36/06/17/1375360617.db2.gz SFVIJBKZAIOAPO-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CCCC1CCC1 ZINC001132434604 1375380311 /nfs/dbraw/zinc/38/03/11/1375380311.db2.gz ZFPFMBJBFCTJHI-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cccc(C)c2)C1 ZINC001132436263 1375381102 /nfs/dbraw/zinc/38/11/02/1375381102.db2.gz JRPYDWZHMIVVAT-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(C)c2)C1 ZINC001132436263 1375381104 /nfs/dbraw/zinc/38/11/04/1375381104.db2.gz JRPYDWZHMIVVAT-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(C)c2)C1 ZINC001132436263 1375381107 /nfs/dbraw/zinc/38/11/07/1375381107.db2.gz JRPYDWZHMIVVAT-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C ZINC001227150149 1375397372 /nfs/dbraw/zinc/39/73/72/1375397372.db2.gz KQOXVPLANVOTPV-RTBURBONSA-N 2 1 345.531 3.242 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132494967 1375424327 /nfs/dbraw/zinc/42/43/27/1375424327.db2.gz ZMNLOHUXGJQGAP-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001227389991 1375425345 /nfs/dbraw/zinc/42/53/45/1375425345.db2.gz KRZHWGVECXJMIR-SFHVURJKSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[N@H+]1CC1CCCC1 ZINC001132549310 1375455191 /nfs/dbraw/zinc/45/51/91/1375455191.db2.gz QFLFCNUBMXOBSH-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC1CC[NH+](CC2CCCCCC2)CC1 ZINC001227876995 1375485727 /nfs/dbraw/zinc/48/57/27/1375485727.db2.gz MYJYPICRPUGABS-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC001228040071 1375509532 /nfs/dbraw/zinc/50/95/32/1375509532.db2.gz QWKIMMYLSTUUPV-OAHLLOKOSA-N 2 1 349.494 3.198 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+]Cc2ccccc2C(C)C)C1 ZINC001132738513 1375539706 /nfs/dbraw/zinc/53/97/06/1375539706.db2.gz GLAPEAICHVAIPO-LJQANCHMSA-N 2 1 345.531 3.138 20 0 EGADMP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001228602245 1375611961 /nfs/dbraw/zinc/61/19/61/1375611961.db2.gz FKLOSSFMCANSIT-GPMSIDNRSA-N 2 1 341.515 3.016 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132938056 1375657904 /nfs/dbraw/zinc/65/79/04/1375657904.db2.gz QJFRSDNMCIDZJD-ZWHYWQQASA-N 2 1 337.552 3.147 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132976425 1375690048 /nfs/dbraw/zinc/69/00/48/1375690048.db2.gz DSNZROMSBJFPFI-LOYZYROESA-N 2 1 346.519 3.012 20 0 EGADMP [NH2+]=C(NO)c1ccc(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1F ZINC001229078752 1375759001 /nfs/dbraw/zinc/75/90/01/1375759001.db2.gz MAWJIWZWTUCOGD-INIZCTEOSA-N 2 1 343.402 3.173 20 0 EGADMP [NH2+]=C(NO)c1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC001229078752 1375759006 /nfs/dbraw/zinc/75/90/06/1375759006.db2.gz MAWJIWZWTUCOGD-INIZCTEOSA-N 2 1 343.402 3.173 20 0 EGADMP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133141156 1375801568 /nfs/dbraw/zinc/80/15/68/1375801568.db2.gz ASGVYALSPXWHAW-ZWKOTPCHSA-N 2 1 348.535 3.127 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC(C)C)C1 ZINC001133166404 1375819476 /nfs/dbraw/zinc/81/94/76/1375819476.db2.gz TZKFDCVKJYSSHK-MJGOQNOKSA-N 2 1 348.535 3.092 20 0 EGADMP CCCCC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001133165561 1375819791 /nfs/dbraw/zinc/81/97/91/1375819791.db2.gz JGXNVQLESDTHKT-MJGOQNOKSA-N 2 1 348.535 3.236 20 0 EGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC2)cc1 ZINC001327145690 1388402816 /nfs/dbraw/zinc/40/28/16/1388402816.db2.gz FJOCODNKKUHHTF-WOJBJXKFSA-N 2 1 345.531 3.052 20 0 EGADMP CC/C=C\CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001229463162 1375840651 /nfs/dbraw/zinc/84/06/51/1375840651.db2.gz ZNMXMLNWGRGGLS-VOFKWLDRSA-N 2 1 335.536 3.186 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc(C)c1 ZINC001229524608 1375851933 /nfs/dbraw/zinc/85/19/33/1375851933.db2.gz PWOBDTFMUAAMQN-DFQSSKMNSA-N 2 1 345.531 3.415 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133225844 1375853429 /nfs/dbraw/zinc/85/34/29/1375853429.db2.gz KPHUIUMFBNELAF-ROUUACIJSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC(C)CC1 ZINC001229869116 1375909242 /nfs/dbraw/zinc/90/92/42/1375909242.db2.gz XVXVDIREVVRKAJ-CSODTCANSA-N 2 1 337.552 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)C ZINC001230274711 1375981079 /nfs/dbraw/zinc/98/10/79/1375981079.db2.gz HAZSLSLBPJWNML-QRVBRYPASA-N 2 1 337.552 3.314 20 0 EGADMP Cc1cc(C)cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@H+](C)C(C)C)c1 ZINC001230274859 1375981193 /nfs/dbraw/zinc/98/11/93/1375981193.db2.gz PMBCCYPLNQWQMQ-WOJBJXKFSA-N 2 1 345.531 3.161 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CCC([C@@H]2CCC[N@H+]2CCC2CC2)CC1 ZINC001230617881 1376103997 /nfs/dbraw/zinc/10/39/97/1376103997.db2.gz HJIOBPMKXRPPGX-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001230622799 1376105012 /nfs/dbraw/zinc/10/50/12/1376105012.db2.gz QWHLYBSVEJYSLI-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230622799 1376105014 /nfs/dbraw/zinc/10/50/14/1376105014.db2.gz QWHLYBSVEJYSLI-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230622799 1376105018 /nfs/dbraw/zinc/10/50/18/1376105018.db2.gz QWHLYBSVEJYSLI-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP c1[nH]c2cnccc2c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001231519180 1376255119 /nfs/dbraw/zinc/25/51/19/1376255119.db2.gz YNPMNRGCFCXMEW-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP c1[nH]c2cnccc2c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001231519180 1376255124 /nfs/dbraw/zinc/25/51/24/1376255124.db2.gz YNPMNRGCFCXMEW-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP CCOC(=O)[C@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H]2CCCC[C@@H]12 ZINC001232012911 1376381810 /nfs/dbraw/zinc/38/18/10/1376381810.db2.gz WQNQVRFJSLXQQO-OLMNPRSZSA-N 2 1 341.455 3.364 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cnsc3)C[C@@H]21 ZINC001232228140 1376419317 /nfs/dbraw/zinc/41/93/17/1376419317.db2.gz MRHPNSXVIMQXCF-NZSAHSFTSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3ccccc3)cn2)CC1 ZINC001232361988 1376449228 /nfs/dbraw/zinc/44/92/28/1376449228.db2.gz HYSCNJJQJMGOJX-HXUWFJFHSA-N 2 1 336.483 3.171 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001134612801 1376624101 /nfs/dbraw/zinc/62/41/01/1376624101.db2.gz QGYRASXZJVZUNR-SJORKVTESA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001134773075 1376714119 /nfs/dbraw/zinc/71/41/19/1376714119.db2.gz KNBWCFMPQJRNEI-ROUUACIJSA-N 2 1 347.547 3.407 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001134773396 1376714328 /nfs/dbraw/zinc/71/43/28/1376714328.db2.gz OHRJFDCCWFNADG-ZWKOTPCHSA-N 2 1 347.547 3.407 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189109817 1388460472 /nfs/dbraw/zinc/46/04/72/1388460472.db2.gz FUMYKBFTGJEEKT-CAYSUEKXSA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001233988001 1376748668 /nfs/dbraw/zinc/74/86/68/1376748668.db2.gz HUDMWGFUKXFFIZ-UHFFFAOYSA-N 2 1 327.472 3.493 20 0 EGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235022586 1376828691 /nfs/dbraw/zinc/82/86/91/1376828691.db2.gz OWODXQIWWCFEOG-QGZVFWFLSA-N 2 1 342.405 3.216 20 0 EGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235022586 1376828699 /nfs/dbraw/zinc/82/86/99/1376828699.db2.gz OWODXQIWWCFEOG-QGZVFWFLSA-N 2 1 342.405 3.216 20 0 EGADMP Brc1ccc2sc(C[N@@H+]3CCC4(C[NH2+]C4)C3)cc2c1 ZINC001235024505 1376830698 /nfs/dbraw/zinc/83/06/98/1376830698.db2.gz NAMUELFWNMQWGQ-UHFFFAOYSA-N 2 1 337.286 3.459 20 0 EGADMP Brc1ccc2sc(C[N@H+]3CCC4(C[NH2+]C4)C3)cc2c1 ZINC001235024505 1376830701 /nfs/dbraw/zinc/83/07/01/1376830701.db2.gz NAMUELFWNMQWGQ-UHFFFAOYSA-N 2 1 337.286 3.459 20 0 EGADMP c1csc(-c2ccc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cc2)c1 ZINC001235036308 1376835228 /nfs/dbraw/zinc/83/52/28/1376835228.db2.gz LLBASULABNIBAW-QZTJIDSGSA-N 2 1 328.481 3.225 20 0 EGADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038173 1376836835 /nfs/dbraw/zinc/83/68/35/1376836835.db2.gz DJJFKZUZEIBDEL-OXJNMPFZSA-N 2 1 330.472 3.202 20 0 EGADMP Oc1cccc2ccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)nc12 ZINC001235427740 1376870209 /nfs/dbraw/zinc/87/02/09/1376870209.db2.gz NBDPIRPETJJBMZ-IRXDYDNUSA-N 2 1 325.456 3.152 20 0 EGADMP Cn1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cc2)n1 ZINC001235430639 1376871999 /nfs/dbraw/zinc/87/19/99/1376871999.db2.gz KDOOIYJQIIAISD-VQTJNVASSA-N 2 1 338.499 3.299 20 0 EGADMP Clc1cc2c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c[nH]c2cn1 ZINC001235430267 1376872316 /nfs/dbraw/zinc/87/23/16/1376872316.db2.gz WJRRUWDYPHQMDN-KGLIPLIRSA-N 2 1 332.879 3.428 20 0 EGADMP c1ccc(-c2ncnc3c2CC[N@@H+](CC[C@H]2CCCC[NH2+]2)CC3)cc1 ZINC001235585834 1376877536 /nfs/dbraw/zinc/87/75/36/1376877536.db2.gz YQAJGOJOKXBVLA-GOSISDBHSA-N 2 1 336.483 3.076 20 0 EGADMP Cc1ccc(F)c(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1Br ZINC001235767759 1376891326 /nfs/dbraw/zinc/89/13/26/1376891326.db2.gz VDDNQBAQSOEBDY-UHFFFAOYSA-N 2 1 341.268 3.424 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)cc1 ZINC001135095838 1376893354 /nfs/dbraw/zinc/89/33/54/1376893354.db2.gz SKXGNDBKFCBTFH-WOJBJXKFSA-N 2 1 343.515 3.033 20 0 EGADMP CCC[N@H+](Cc1cccc(OC)c1OCC1CC1)C1CC[NH2+]CC1 ZINC001236182981 1376940360 /nfs/dbraw/zinc/94/03/60/1376940360.db2.gz BGFQFVNDJAKCCH-UHFFFAOYSA-N 2 1 332.488 3.448 20 0 EGADMP CCC[N@@H+](Cc1cccc(OC)c1OCC1CC1)C1CC[NH2+]CC1 ZINC001236182981 1376940364 /nfs/dbraw/zinc/94/03/64/1376940364.db2.gz BGFQFVNDJAKCCH-UHFFFAOYSA-N 2 1 332.488 3.448 20 0 EGADMP N[C@H](Cc1ccccc1)C[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227253 1376943056 /nfs/dbraw/zinc/94/30/56/1376943056.db2.gz AUBOAXVJUMBIEU-ATKRNPRHSA-N 2 1 337.511 3.329 20 0 EGADMP [NH3+][C@H](Cc1ccccc1)CN(Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227253 1376943069 /nfs/dbraw/zinc/94/30/69/1376943069.db2.gz AUBOAXVJUMBIEU-ATKRNPRHSA-N 2 1 337.511 3.329 20 0 EGADMP CCC[N@H+](Cc1ccc(-n2ccnc2)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236843775 1376965974 /nfs/dbraw/zinc/96/59/74/1376965974.db2.gz QXFSTAOHXJTXDF-MRXNPFEDSA-N 2 1 332.879 3.347 20 0 EGADMP c1ccc(OC[C@@]23CCC[C@@H]2C[N@H+]([C@H]2CC[NH2+]C4(CCC4)C2)C3)nc1 ZINC001246721908 1377053584 /nfs/dbraw/zinc/05/35/84/1377053584.db2.gz GKHYNOSSEZFART-HBFSDRIKSA-N 2 1 341.499 3.237 20 0 EGADMP CC(C)CN1c2ccccc2[C@@H]2C[N@@H+]([C@@H]3CCC4(C[NH2+]C4)C3)CC[C@@H]21 ZINC001246763359 1377054018 /nfs/dbraw/zinc/05/40/18/1377054018.db2.gz HGBPFMZCVADHMU-LMNJBCLMSA-N 2 1 339.527 3.463 20 0 EGADMP Cc1ccc(CN2CCC([NH2+][C@@H]3CCC[N@H+](C)CC3)CC2)c(F)c1 ZINC001254509833 1377105585 /nfs/dbraw/zinc/10/55/85/1377105585.db2.gz JHOARUZIUZLRKP-GOSISDBHSA-N 2 1 333.495 3.172 20 0 EGADMP COc1ccccc1OCC1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254529572 1377106490 /nfs/dbraw/zinc/10/64/90/1377106490.db2.gz NXRFBTIBAMGYNO-GOSISDBHSA-N 2 1 332.488 3.270 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CC1CCCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135475482 1377110304 /nfs/dbraw/zinc/11/03/04/1377110304.db2.gz BDUFOHLMQRDGQC-HZPDHXFCSA-N 2 1 325.541 3.027 20 0 EGADMP Cc1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135476368 1377110753 /nfs/dbraw/zinc/11/07/53/1377110753.db2.gz KBWJOVXNTKROOR-MSOLQXFVSA-N 2 1 347.547 3.346 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CC1=CCCCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135478104 1377111651 /nfs/dbraw/zinc/11/16/51/1377111651.db2.gz ZANTVIUHVPVNQV-IAGOWNOFSA-N 2 1 337.552 3.338 20 0 EGADMP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481559 1377114012 /nfs/dbraw/zinc/11/40/12/1377114012.db2.gz VMTLWIYTVRAIEI-OALUTQOASA-N 2 1 345.531 3.000 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]Cc1ccsc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135482056 1377114385 /nfs/dbraw/zinc/11/43/85/1377114385.db2.gz ZZAOROZXSGNNBP-HUUCEWRRSA-N 2 1 339.549 3.099 20 0 EGADMP CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135601744 1377159775 /nfs/dbraw/zinc/15/97/75/1377159775.db2.gz XFVNMOWUDVRJPI-SJORKVTESA-N 2 1 336.524 3.316 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCCCC1 ZINC001135679974 1377182031 /nfs/dbraw/zinc/18/20/31/1377182031.db2.gz PWUNZVRWMWOGHY-DLBZAZTESA-N 2 1 348.535 3.425 20 0 EGADMP CCc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)[NH+](C)C)cc1 ZINC001135717631 1377193261 /nfs/dbraw/zinc/19/32/61/1377193261.db2.gz XNTWAPGRONMKKX-WOJBJXKFSA-N 2 1 345.531 3.088 20 0 EGADMP CCc1ccccc1CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001135860939 1377237950 /nfs/dbraw/zinc/23/79/50/1377237950.db2.gz JTECBGKQHGIKAJ-QZTJIDSGSA-N 2 1 347.547 3.006 20 0 EGADMP CCc1ccccc1CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001135860940 1377238262 /nfs/dbraw/zinc/23/82/62/1377238262.db2.gz JTECBGKQHGIKAJ-ROUUACIJSA-N 2 1 347.547 3.006 20 0 EGADMP CCc1ccc(CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC)cc1 ZINC001135861663 1377238753 /nfs/dbraw/zinc/23/87/53/1377238753.db2.gz VFRUPGFEKATBFU-QZTJIDSGSA-N 2 1 347.547 3.006 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001135861951 1377238766 /nfs/dbraw/zinc/23/87/66/1377238766.db2.gz ZNGCZKSKOSEDPO-IAGOWNOFSA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001327297731 1388488367 /nfs/dbraw/zinc/48/83/67/1388488367.db2.gz BHSZAYMBIQNJKJ-UXHICEINSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC001135975868 1377284426 /nfs/dbraw/zinc/28/44/26/1377284426.db2.gz DQYKVWRNYFCIJA-HUUCEWRRSA-N 2 1 339.911 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135976319 1377284692 /nfs/dbraw/zinc/28/46/92/1377284692.db2.gz IXJLDHVKXGNCKJ-QZTJIDSGSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCc1ccccc1 ZINC001135979553 1377284800 /nfs/dbraw/zinc/28/48/00/1377284800.db2.gz HIFWQZLCZSEKJD-MOPGFXCFSA-N 2 1 347.547 3.224 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCc1ccccc1 ZINC001135979556 1377285233 /nfs/dbraw/zinc/28/52/33/1377285233.db2.gz HIFWQZLCZSEKJD-RTBURBONSA-N 2 1 347.547 3.224 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001135980331 1377285839 /nfs/dbraw/zinc/28/58/39/1377285839.db2.gz NVKPUFLAWMWRSV-IRXDYDNUSA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001135995161 1377291709 /nfs/dbraw/zinc/29/17/09/1377291709.db2.gz AEIKYSGTXXHJRY-SJORKVTESA-N 2 1 337.552 3.172 20 0 EGADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC1CCCCCC1 ZINC001266972019 1377406069 /nfs/dbraw/zinc/40/60/69/1377406069.db2.gz SOJYBWAOGFQZLE-MRXNPFEDSA-N 2 1 325.541 3.029 20 0 EGADMP Cc1ccc2c(C[N@@H+]3C[C@H]4CN(Cc5ccccn5)C[C@H]4C3)c[nH]c2c1 ZINC001136970027 1377447277 /nfs/dbraw/zinc/44/72/77/1377447277.db2.gz HCICUQUOLHUZFE-KDURUIRLSA-N 2 1 346.478 3.435 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccccc1CC ZINC001268239881 1377500995 /nfs/dbraw/zinc/50/09/95/1377500995.db2.gz RRFRHYXWXGHUEJ-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccccc1CC ZINC001268239881 1377500996 /nfs/dbraw/zinc/50/09/96/1377500996.db2.gz RRFRHYXWXGHUEJ-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccccc1CC ZINC001268239881 1377500997 /nfs/dbraw/zinc/50/09/97/1377500997.db2.gz RRFRHYXWXGHUEJ-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001269177690 1377542099 /nfs/dbraw/zinc/54/20/99/1377542099.db2.gz NPFCWHMCPQIIOP-YLJYHZDGSA-N 2 1 345.531 3.235 20 0 EGADMP COC(=O)CC[N@@H+](Cc1ccc(-n2ccnc2C)cc1)C1CCCC1 ZINC001138547005 1377739454 /nfs/dbraw/zinc/73/94/54/1377739454.db2.gz ARLBUDFEQHVAED-UHFFFAOYSA-N 2 1 341.455 3.488 20 0 EGADMP COC(=O)CC[N@H+](Cc1ccc(-n2cc[nH+]c2C)cc1)C1CCCC1 ZINC001138547005 1377739457 /nfs/dbraw/zinc/73/94/57/1377739457.db2.gz ARLBUDFEQHVAED-UHFFFAOYSA-N 2 1 341.455 3.488 20 0 EGADMP COC(=O)CC[N@@H+](Cc1ccc(-n2cc[nH+]c2C)cc1)C1CCCC1 ZINC001138547005 1377739459 /nfs/dbraw/zinc/73/94/59/1377739459.db2.gz ARLBUDFEQHVAED-UHFFFAOYSA-N 2 1 341.455 3.488 20 0 EGADMP CCOC(=O)[C@@H]1CCCCN1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138547917 1377739954 /nfs/dbraw/zinc/73/99/54/1377739954.db2.gz WMKBDNVLDWTBII-SFHVURJKSA-N 2 1 327.428 3.098 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H](Oc3cnccn3)C2)cc1 ZINC001138552165 1377740277 /nfs/dbraw/zinc/74/02/77/1377740277.db2.gz XYZUTEMAKQJNKA-LJQANCHMSA-N 2 1 349.438 3.014 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H](Oc3cnccn3)C2)cc1 ZINC001138552165 1377740280 /nfs/dbraw/zinc/74/02/80/1377740280.db2.gz XYZUTEMAKQJNKA-LJQANCHMSA-N 2 1 349.438 3.014 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCC1(F)F ZINC001138770239 1377782354 /nfs/dbraw/zinc/78/23/54/1377782354.db2.gz UUATTZVSGPWZHR-OAHLLOKOSA-N 2 1 326.431 3.494 20 0 EGADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cnc2ccccc2n1 ZINC001138867621 1377797640 /nfs/dbraw/zinc/79/76/40/1377797640.db2.gz NGLNMIXJSVCXCL-UHFFFAOYSA-N 2 1 329.407 3.448 20 0 EGADMP CN(Cc1ccc(-n2ccnc2)cc1)Cc1cnc2ccccc2n1 ZINC001138867621 1377797641 /nfs/dbraw/zinc/79/76/41/1377797641.db2.gz NGLNMIXJSVCXCL-UHFFFAOYSA-N 2 1 329.407 3.448 20 0 EGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccccc2N2CCOCC2)CC1 ZINC001139508832 1377894025 /nfs/dbraw/zinc/89/40/25/1377894025.db2.gz XHMYFGMKQDKBFN-UHFFFAOYSA-N 2 1 345.531 3.220 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2N2CCOCC2)CC1 ZINC001139508832 1377894030 /nfs/dbraw/zinc/89/40/30/1377894030.db2.gz XHMYFGMKQDKBFN-UHFFFAOYSA-N 2 1 345.531 3.220 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccnc(Cl)c2F)CC1 ZINC001139662192 1377928503 /nfs/dbraw/zinc/92/85/03/1377928503.db2.gz CPIJHCFDESIYBY-UHFFFAOYSA-N 2 1 334.826 3.317 20 0 EGADMP c1ccc(C[NH+]2CCC3(CCC[N@@H+](Cc4ccnnc4)C3)CC2)cc1 ZINC001139986350 1377988221 /nfs/dbraw/zinc/98/82/21/1377988221.db2.gz HBOOEEOSZGGJGC-UHFFFAOYSA-N 2 1 336.483 3.355 20 0 EGADMP CCOCC[NH+](CCOCC)Cc1ccccc1-n1cc[nH+]c1C ZINC001140028649 1377993242 /nfs/dbraw/zinc/99/32/42/1377993242.db2.gz YWVJUVLSHXJEAU-UHFFFAOYSA-N 2 1 331.460 3.056 20 0 EGADMP CC[C@H](C)N1CC[C@]2(CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272716524 1378080182 /nfs/dbraw/zinc/08/01/82/1378080182.db2.gz GSGTUAGPAXMADB-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCCC2CCCC2)CC1 ZINC001275135894 1378134459 /nfs/dbraw/zinc/13/44/59/1378134459.db2.gz OYDLNYFGBHHHKM-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCc1noc([C@H]2CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)n1 ZINC001140805192 1378143043 /nfs/dbraw/zinc/14/30/43/1378143043.db2.gz VUVXWEYTIYJIEY-ZDUSSCGKSA-N 2 1 325.416 3.278 20 0 EGADMP CCCc1noc([C@H]2CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)n1 ZINC001140805192 1378143046 /nfs/dbraw/zinc/14/30/46/1378143046.db2.gz VUVXWEYTIYJIEY-ZDUSSCGKSA-N 2 1 325.416 3.278 20 0 EGADMP CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140807428 1378146247 /nfs/dbraw/zinc/14/62/47/1378146247.db2.gz YZDFZZFSGZSULQ-CQSZACIVSA-N 2 1 330.432 3.004 20 0 EGADMP CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140807428 1378146251 /nfs/dbraw/zinc/14/62/51/1378146251.db2.gz YZDFZZFSGZSULQ-CQSZACIVSA-N 2 1 330.432 3.004 20 0 EGADMP Cc1nccn1-c1ccccc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001275895367 1378161062 /nfs/dbraw/zinc/16/10/62/1378161062.db2.gz RBUVDCLINPZNNA-UHFFFAOYSA-N 2 1 338.499 3.489 20 0 EGADMP Cc1c[nH]c(=O)c(C[N@H+]2Cc3ccccc3C3(CC[NH+](C)CC3)C2)c1 ZINC001276872632 1378190046 /nfs/dbraw/zinc/19/00/46/1378190046.db2.gz JNJPXQVLGMYBAC-UHFFFAOYSA-N 2 1 337.467 3.075 20 0 EGADMP C[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140968244 1378196484 /nfs/dbraw/zinc/19/64/84/1378196484.db2.gz IKINDESPLSFWEC-UHFFFAOYSA-N 2 1 327.447 3.210 20 0 EGADMP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140975120 1378197589 /nfs/dbraw/zinc/19/75/89/1378197589.db2.gz NSYXAOZAGJBHTA-GOSISDBHSA-N 2 1 335.495 3.385 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC1CCC1)C1CCCCCC1 ZINC001277368081 1378219746 /nfs/dbraw/zinc/21/97/46/1378219746.db2.gz BUYWIMYZCCTAHE-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC1CCC1)C1CCCCCC1 ZINC001277368081 1378219754 /nfs/dbraw/zinc/21/97/54/1378219754.db2.gz BUYWIMYZCCTAHE-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC1CCC1)C1CCCCCC1 ZINC001277368081 1378219760 /nfs/dbraw/zinc/21/97/60/1378219760.db2.gz BUYWIMYZCCTAHE-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CC[N@H+]2CCCC1CCCC1 ZINC001278020821 1378254743 /nfs/dbraw/zinc/25/47/43/1378254743.db2.gz FFBRTURFUCHLJQ-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(-n2ccnc2)c1 ZINC001141244284 1378281241 /nfs/dbraw/zinc/28/12/41/1378281241.db2.gz IAZKZZMLSWORDD-UHFFFAOYSA-N 2 1 344.459 3.219 20 0 EGADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001141548860 1378343546 /nfs/dbraw/zinc/34/35/46/1378343546.db2.gz LURLITLBKNUVJS-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CCC[C@@](CNC(=O)CC[N@@H+](C)C2CCCCC2)([NH+](C)C)C1 ZINC001142065133 1378409984 /nfs/dbraw/zinc/40/99/84/1378409984.db2.gz LJPWVMICILBOJT-YLJYHZDGSA-N 2 1 337.552 3.268 20 0 EGADMP Cn1cc2c(cccc2C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001142456458 1378444138 /nfs/dbraw/zinc/44/41/38/1378444138.db2.gz LRZZAEKENARWMP-SFHVURJKSA-N 2 1 326.488 3.414 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCCCC1)[NH+](C)C ZINC001282678220 1378550695 /nfs/dbraw/zinc/55/06/95/1378550695.db2.gz PQTPNIZFXQXNOY-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP COc1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cc1C(F)(F)F ZINC001143646144 1378630743 /nfs/dbraw/zinc/63/07/43/1378630743.db2.gz GFFWKHXPCQOIKX-UHFFFAOYSA-N 2 1 328.378 3.242 20 0 EGADMP CN(Cc1[nH+]cn2ccccc12)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001144624864 1378752509 /nfs/dbraw/zinc/75/25/09/1378752509.db2.gz UKIVWADTENFNPU-LJQANCHMSA-N 2 1 334.467 3.288 20 0 EGADMP CN(Cc1[nH+]cn2ccccc12)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001144624864 1378752512 /nfs/dbraw/zinc/75/25/12/1378752512.db2.gz UKIVWADTENFNPU-LJQANCHMSA-N 2 1 334.467 3.288 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001283324541 1378808009 /nfs/dbraw/zinc/80/80/09/1378808009.db2.gz AKFNNBOLGSOFJY-KRWDZBQOSA-N 2 1 331.504 3.012 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccccc1C ZINC001147357991 1379008596 /nfs/dbraw/zinc/00/85/96/1379008596.db2.gz BTDBQCLCNJOHEM-QUCCMNQESA-N 2 1 345.531 3.416 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001147359949 1379008945 /nfs/dbraw/zinc/00/89/45/1379008945.db2.gz XSFKILVOOWDPKO-APWZRJJASA-N 2 1 349.494 3.247 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCC1CCCCC1 ZINC001147359537 1379009205 /nfs/dbraw/zinc/00/92/05/1379009205.db2.gz REARSDNVMRPHDK-IBGZPJMESA-N 2 1 337.552 3.317 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001147742651 1379070336 /nfs/dbraw/zinc/07/03/36/1379070336.db2.gz MUCYLDUZZDHSLF-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001147742651 1379070341 /nfs/dbraw/zinc/07/03/41/1379070341.db2.gz MUCYLDUZZDHSLF-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001147742651 1379070342 /nfs/dbraw/zinc/07/03/42/1379070342.db2.gz MUCYLDUZZDHSLF-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC001327918771 1388623157 /nfs/dbraw/zinc/62/31/57/1388623157.db2.gz VPQCWXQXYKMYDG-OAHLLOKOSA-N 2 1 348.560 3.406 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH2+][C@H](C)c1ccccc1)C(C)(C)C ZINC001284641936 1380047595 /nfs/dbraw/zinc/04/75/95/1380047595.db2.gz BXCYODYHCDTYDY-SJLPKXTDSA-N 2 1 333.520 3.210 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313660 1380054264 /nfs/dbraw/zinc/05/42/64/1380054264.db2.gz UURWWEIEIFSZRI-BGGMYYEUSA-N 2 1 337.552 3.432 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153313660 1380054266 /nfs/dbraw/zinc/05/42/66/1380054266.db2.gz UURWWEIEIFSZRI-BGGMYYEUSA-N 2 1 337.552 3.432 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153313660 1380054268 /nfs/dbraw/zinc/05/42/68/1380054268.db2.gz UURWWEIEIFSZRI-BGGMYYEUSA-N 2 1 337.552 3.432 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCC1CCC1 ZINC001153720731 1380119022 /nfs/dbraw/zinc/11/90/22/1380119022.db2.gz NUOXUYFLPKQGCY-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCCC1CCC1 ZINC001153720731 1380119024 /nfs/dbraw/zinc/11/90/24/1380119024.db2.gz NUOXUYFLPKQGCY-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCCC1CCC1 ZINC001153720731 1380119026 /nfs/dbraw/zinc/11/90/26/1380119026.db2.gz NUOXUYFLPKQGCY-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153824162 1380137841 /nfs/dbraw/zinc/13/78/41/1380137841.db2.gz NCXIJCRMDHXHFG-IAGOWNOFSA-N 2 1 334.508 3.167 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153824162 1380137842 /nfs/dbraw/zinc/13/78/42/1380137842.db2.gz NCXIJCRMDHXHFG-IAGOWNOFSA-N 2 1 334.508 3.167 20 0 EGADMP CC[N@@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828657 1380138843 /nfs/dbraw/zinc/13/88/43/1380138843.db2.gz PQBYUNGJKIIPLE-QGZVFWFLSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033746 1380187205 /nfs/dbraw/zinc/18/72/05/1380187205.db2.gz LKCMQJZVPPTABY-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154033746 1380187207 /nfs/dbraw/zinc/18/72/07/1380187207.db2.gz LKCMQJZVPPTABY-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154033746 1380187210 /nfs/dbraw/zinc/18/72/10/1380187210.db2.gz LKCMQJZVPPTABY-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC1CC2(CCC2)C1 ZINC001154069647 1380198694 /nfs/dbraw/zinc/19/86/94/1380198694.db2.gz KSAIIOFTDCEUFW-MRXNPFEDSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154069647 1380198696 /nfs/dbraw/zinc/19/86/96/1380198696.db2.gz KSAIIOFTDCEUFW-MRXNPFEDSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154069647 1380198701 /nfs/dbraw/zinc/19/87/01/1380198701.db2.gz KSAIIOFTDCEUFW-MRXNPFEDSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154177996 1380221816 /nfs/dbraw/zinc/22/18/16/1380221816.db2.gz AOLDVEJXZIIHBU-MRXNPFEDSA-N 2 1 330.476 3.355 20 0 EGADMP CC[N@@H+](CC(C)C)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464780 1380283161 /nfs/dbraw/zinc/28/31/61/1380283161.db2.gz XUSMSZJYUJGCSF-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CC(C)C)[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001154464780 1380283162 /nfs/dbraw/zinc/28/31/62/1380283162.db2.gz XUSMSZJYUJGCSF-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CC(C)C)[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001154464780 1380283164 /nfs/dbraw/zinc/28/31/64/1380283164.db2.gz XUSMSZJYUJGCSF-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888619 1380372924 /nfs/dbraw/zinc/37/29/24/1380372924.db2.gz URDCEMFPLQRQLI-MRXNPFEDSA-N 2 1 349.519 3.362 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066675 1380401518 /nfs/dbraw/zinc/40/15/18/1380401518.db2.gz MVQUWCVGNHBFKN-SKFQIZJUSA-N 2 1 325.541 3.146 20 0 EGADMP CC[N@@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631388 1380476797 /nfs/dbraw/zinc/47/67/97/1380476797.db2.gz PTGHBRPKKLRYFC-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC[N@@H+](Cc1ccccc1C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631297 1380476849 /nfs/dbraw/zinc/47/68/49/1380476849.db2.gz LWLWEPYSFYLHFA-GOSISDBHSA-N 2 1 345.531 3.054 20 0 EGADMP C[NH+](C)Cc1cccc(CNc2nc(N3CCCCC3)cc[nH+]2)c1 ZINC001156047687 1380517671 /nfs/dbraw/zinc/51/76/71/1380517671.db2.gz FGSOPBUBABYBPJ-UHFFFAOYSA-N 2 1 325.460 3.141 20 0 EGADMP Cn1ccc2c1nc[nH+]c2N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001156314293 1380556594 /nfs/dbraw/zinc/55/65/94/1380556594.db2.gz FGBPHOJXIDZMFH-NZSAHSFTSA-N 2 1 347.466 3.291 20 0 EGADMP Cn1ccc2c1nc[nH+]c2N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001156314293 1380556597 /nfs/dbraw/zinc/55/65/97/1380556597.db2.gz FGBPHOJXIDZMFH-NZSAHSFTSA-N 2 1 347.466 3.291 20 0 EGADMP Cc1c[nH+]c(NCC2C[NH+](Cc3ccccc3)C2)nc1NCC1CC1 ZINC001156393801 1380570637 /nfs/dbraw/zinc/57/06/37/1380570637.db2.gz AMNHICFHQMLXIE-UHFFFAOYSA-N 2 1 337.471 3.151 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475389 1380580804 /nfs/dbraw/zinc/58/08/04/1380580804.db2.gz CNUQEBNBTMBOIO-HJCTWCACSA-N 2 1 325.541 3.291 20 0 EGADMP CC(C)[N@H+](C)[C@H]1CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001157019422 1380752392 /nfs/dbraw/zinc/75/23/92/1380752392.db2.gz FOQBJJJXEIMUMH-INIZCTEOSA-N 2 1 336.911 3.250 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001157019422 1380752395 /nfs/dbraw/zinc/75/23/95/1380752395.db2.gz FOQBJJJXEIMUMH-INIZCTEOSA-N 2 1 336.911 3.250 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(NCC[NH+]2CCSCC2)nc1 ZINC001157050243 1380761306 /nfs/dbraw/zinc/76/13/06/1380761306.db2.gz MWJRXYJXJNIQOX-QGZVFWFLSA-N 2 1 334.533 3.089 20 0 EGADMP CC[N@@H+](Cc1ccccc1F)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157091849 1380774208 /nfs/dbraw/zinc/77/42/08/1380774208.db2.gz FNYJIHBRNZIWMC-QGZVFWFLSA-N 2 1 349.494 3.028 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109698 1380777947 /nfs/dbraw/zinc/77/79/47/1380777947.db2.gz RKLDGCZAZOUGTM-QZTJIDSGSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001157109698 1380777949 /nfs/dbraw/zinc/77/79/49/1380777949.db2.gz RKLDGCZAZOUGTM-QZTJIDSGSA-N 2 1 325.541 3.268 20 0 EGADMP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157132452 1380783415 /nfs/dbraw/zinc/78/34/15/1380783415.db2.gz HTIKNWFHCKELEM-XLIONFOSSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157132452 1380783421 /nfs/dbraw/zinc/78/34/21/1380783421.db2.gz HTIKNWFHCKELEM-XLIONFOSSA-N 2 1 345.531 3.306 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157887367 1381061154 /nfs/dbraw/zinc/06/11/54/1381061154.db2.gz TYZLIYYJTJJDQC-MJGOQNOKSA-N 2 1 331.504 3.025 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001157893811 1381064069 /nfs/dbraw/zinc/06/40/69/1381064069.db2.gz NGPQLTXEPLCIFP-HXUWFJFHSA-N 2 1 343.515 3.033 20 0 EGADMP CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001157973409 1381088509 /nfs/dbraw/zinc/08/85/09/1381088509.db2.gz AXXHAOARFYZNPG-DLBZAZTESA-N 2 1 334.508 3.120 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001157973409 1381088516 /nfs/dbraw/zinc/08/85/16/1381088516.db2.gz AXXHAOARFYZNPG-DLBZAZTESA-N 2 1 334.508 3.120 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CCCC1)C1CCC1 ZINC001158090104 1381124826 /nfs/dbraw/zinc/12/48/26/1381124826.db2.gz IQEQFZYHUZTEDV-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001158090104 1381124829 /nfs/dbraw/zinc/12/48/29/1381124829.db2.gz IQEQFZYHUZTEDV-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001158090104 1381124830 /nfs/dbraw/zinc/12/48/30/1381124830.db2.gz IQEQFZYHUZTEDV-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158329505 1381202945 /nfs/dbraw/zinc/20/29/45/1381202945.db2.gz OUFDZBZWJPDGEP-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001158329505 1381202950 /nfs/dbraw/zinc/20/29/50/1381202950.db2.gz OUFDZBZWJPDGEP-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001158329505 1381202956 /nfs/dbraw/zinc/20/29/56/1381202956.db2.gz OUFDZBZWJPDGEP-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC001158355026 1381214330 /nfs/dbraw/zinc/21/43/30/1381214330.db2.gz LXJMRNNUXUQPIB-IRXDYDNUSA-N 2 1 342.487 3.254 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH2+]Cc1ccc(C)cc1 ZINC001158421045 1381241008 /nfs/dbraw/zinc/24/10/08/1381241008.db2.gz QXFWIMRMGFXXFA-QGZVFWFLSA-N 2 1 342.487 3.001 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)C[C@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001158450250 1381249460 /nfs/dbraw/zinc/24/94/60/1381249460.db2.gz PGBXHQIGTVRVFV-UYAOXDASSA-N 2 1 345.531 3.321 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CCC(C)(C)C ZINC001158474392 1381258412 /nfs/dbraw/zinc/25/84/12/1381258412.db2.gz YJNAIKUTUJIFLV-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)(C)C ZINC001158474392 1381258419 /nfs/dbraw/zinc/25/84/19/1381258419.db2.gz YJNAIKUTUJIFLV-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)(C)C ZINC001158474392 1381258431 /nfs/dbraw/zinc/25/84/31/1381258431.db2.gz YJNAIKUTUJIFLV-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)C)[NH+](CC)CC ZINC001158491549 1381266259 /nfs/dbraw/zinc/26/62/59/1381266259.db2.gz RZPDWEZFOLHPEX-RTBURBONSA-N 2 1 339.568 3.466 20 0 EGADMP CC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001158780647 1381395547 /nfs/dbraw/zinc/39/55/47/1381395547.db2.gz CGZVLGANIIUMFV-IHHMQQGQSA-N 2 1 337.552 3.388 20 0 EGADMP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001158780647 1381395553 /nfs/dbraw/zinc/39/55/53/1381395553.db2.gz CGZVLGANIIUMFV-IHHMQQGQSA-N 2 1 337.552 3.388 20 0 EGADMP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001158780647 1381395556 /nfs/dbraw/zinc/39/55/56/1381395556.db2.gz CGZVLGANIIUMFV-IHHMQQGQSA-N 2 1 337.552 3.388 20 0 EGADMP CC[C@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001158909887 1381459846 /nfs/dbraw/zinc/45/98/46/1381459846.db2.gz ZEFQIHGFLZTFCG-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158914636 1381461217 /nfs/dbraw/zinc/46/12/17/1381461217.db2.gz PVFNDQWXCTWBED-LJQANCHMSA-N 2 1 337.552 3.366 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cn2)C1 ZINC001328379411 1388733848 /nfs/dbraw/zinc/73/38/48/1388733848.db2.gz WZVGCVJKLRFMHC-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cn2)C1 ZINC001328379411 1388733851 /nfs/dbraw/zinc/73/38/51/1388733851.db2.gz WZVGCVJKLRFMHC-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP Cc1cc(C[NH2+][C@@H](C)CCNC(=O)Cn2cc[nH+]c2C(C)C)cs1 ZINC001328413115 1388740001 /nfs/dbraw/zinc/74/00/01/1388740001.db2.gz BENJWFNAQSKMNZ-AWEZNQCLSA-N 2 1 348.516 3.061 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccc(OC2CC[NH2+]CC2)cc1 ZINC001159622411 1381851531 /nfs/dbraw/zinc/85/15/31/1381851531.db2.gz MJJJMQVJEFHZOV-UHFFFAOYSA-N 2 1 326.444 3.330 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC001159908738 1381934115 /nfs/dbraw/zinc/93/41/15/1381934115.db2.gz JLFSYGIXUSKZOP-IEBWSBKVSA-N 2 1 331.504 3.106 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160379093 1382088310 /nfs/dbraw/zinc/08/83/10/1382088310.db2.gz BBCTYPLOOZHPHK-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001160379093 1382088314 /nfs/dbraw/zinc/08/83/14/1382088314.db2.gz BBCTYPLOOZHPHK-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001160379093 1382088316 /nfs/dbraw/zinc/08/83/16/1382088316.db2.gz BBCTYPLOOZHPHK-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160406287 1382095836 /nfs/dbraw/zinc/09/58/36/1382095836.db2.gz MWQSMEOOPWGSAD-GWQNQTGSSA-N 2 1 349.563 3.457 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160467447 1382114530 /nfs/dbraw/zinc/11/45/30/1382114530.db2.gz STZQJFHFHUWRSP-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160467447 1382114534 /nfs/dbraw/zinc/11/45/34/1382114534.db2.gz STZQJFHFHUWRSP-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160467447 1382114537 /nfs/dbraw/zinc/11/45/37/1382114537.db2.gz STZQJFHFHUWRSP-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+](C)CCCCNc1[nH+]cnc2c1ccn2Cc1ccccc1F ZINC001161724466 1382489451 /nfs/dbraw/zinc/48/94/51/1382489451.db2.gz JJTWBKFAJHUPGF-UHFFFAOYSA-N 2 1 341.434 3.372 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)NCCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001161893263 1382541880 /nfs/dbraw/zinc/54/18/80/1382541880.db2.gz AHZFKQWOLZGFSQ-UHFFFAOYSA-N 2 1 347.547 3.191 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161924812 1382553852 /nfs/dbraw/zinc/55/38/52/1382553852.db2.gz MAHJIJDHZFOXEE-ASIGSXEYSA-N 2 1 347.547 3.354 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161947060 1382565484 /nfs/dbraw/zinc/56/54/84/1382565484.db2.gz VEXKHYCCXPEHBC-ONEGZZNKSA-N 2 1 347.547 3.357 20 0 EGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC001328678904 1388805721 /nfs/dbraw/zinc/80/57/21/1388805721.db2.gz YXWBHSGJQOOEPY-ZDUSSCGKSA-N 2 1 334.895 3.289 20 0 EGADMP COC(=O)c1ccc(-c2ccc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@H]34)[nH+]c2C)cc1 ZINC001162797842 1382875213 /nfs/dbraw/zinc/87/52/13/1382875213.db2.gz PHGHUFPAPSROLV-NZSAHSFTSA-N 2 1 349.434 3.030 20 0 EGADMP COc1cc2[nH+]c(NC3CC4(C3)CCC[NH2+]C4)ccc2c(OC)c1 ZINC001162985794 1382938273 /nfs/dbraw/zinc/93/82/73/1382938273.db2.gz CZNLCWYNPGHRGB-UHFFFAOYSA-N 2 1 327.428 3.196 20 0 EGADMP CSc1nc(N[C@H]2C[NH2+]Cc3ccsc32)cc(N2CCCC2)[nH+]1 ZINC001163221170 1382996278 /nfs/dbraw/zinc/99/62/78/1382996278.db2.gz NKHODRDUZBHNOP-LBPRGKRZSA-N 2 1 347.513 3.117 20 0 EGADMP c1cc2c3c([nH]c2c(NC[C@H]2CO[C@@]4(C2)CCC[NH2+]C4)[nH+]1)CCCC3 ZINC001163279929 1383012291 /nfs/dbraw/zinc/01/22/91/1383012291.db2.gz PHLAYBWTWRLTNM-VBKZILBWSA-N 2 1 340.471 3.012 20 0 EGADMP Cc1ccc2cc[nH+]c(N[C@@H](CCCC[NH3+])C(=O)N3CCCC3)c2c1 ZINC001163456744 1383055331 /nfs/dbraw/zinc/05/53/31/1383055331.db2.gz LMYDFWJVPNOJOM-SFHVURJKSA-N 2 1 340.471 3.075 20 0 EGADMP C[C@H](Nc1nc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc2ccccc2c1 ZINC001164139020 1383160259 /nfs/dbraw/zinc/16/02/59/1383160259.db2.gz JYKRYPWIWVDFAS-HNNXBMFYSA-N 2 1 333.439 3.213 20 0 EGADMP c1cc2c[nH+]c(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2[nH]1 ZINC001164483523 1383191388 /nfs/dbraw/zinc/19/13/88/1383191388.db2.gz BYLFJGJYFGVAER-RCCFBDPRSA-N 2 1 333.439 3.232 20 0 EGADMP c1cc2c[nH+]c(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc2[nH]1 ZINC001164483523 1383191390 /nfs/dbraw/zinc/19/13/90/1383191390.db2.gz BYLFJGJYFGVAER-RCCFBDPRSA-N 2 1 333.439 3.232 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4[nH+]ccc5c4CCN5)[C@H]3C2)cc1 ZINC001164487476 1383192231 /nfs/dbraw/zinc/19/22/31/1383192231.db2.gz VJZKLTFEGVNUJX-XKGZKEIXSA-N 2 1 334.467 3.372 20 0 EGADMP O=C(NCCC[NH2+]CCCC1CCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164500705 1383194008 /nfs/dbraw/zinc/19/40/08/1383194008.db2.gz BVPAGIQXBSFOCE-FQEVSTJZSA-N 2 1 349.563 3.460 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC1(C[NH2+]CCC(C)C)CC1 ZINC001164578784 1383201218 /nfs/dbraw/zinc/20/12/18/1383201218.db2.gz RJEWFOIGCATMMP-QGZVFWFLSA-N 2 1 348.535 3.319 20 0 EGADMP CC[NH+]1CCC(N(C)c2cc3cc(OC)c(OC)cc3c[nH+]2)CC1 ZINC001165069602 1383221933 /nfs/dbraw/zinc/22/19/33/1383221933.db2.gz PWICXLMYENSCIS-UHFFFAOYSA-N 2 1 329.444 3.173 20 0 EGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC001165106725 1383229277 /nfs/dbraw/zinc/22/92/77/1383229277.db2.gz ISUOAOAIDXJQHV-QGZVFWFLSA-N 2 1 348.922 3.299 20 0 EGADMP CC[N@H+]1CCCC[C@H]1c1ccc(-n2ccnc2[C@@H]2CCC[NH2+]C2)nc1 ZINC001165144281 1383236481 /nfs/dbraw/zinc/23/64/81/1383236481.db2.gz QSLGXGGHYVFZLF-MSOLQXFVSA-N 2 1 339.487 3.281 20 0 EGADMP FC(F)(F)[C@H]1N(c2ccc3c([nH+]2)CCC3)CCC12CC[NH2+]CC2 ZINC001165265436 1383261938 /nfs/dbraw/zinc/26/19/38/1383261938.db2.gz FHMWRNMUVUJMBE-HNNXBMFYSA-N 2 1 325.378 3.081 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001165334653 1383275794 /nfs/dbraw/zinc/27/57/94/1383275794.db2.gz ZLNIAYTXSNOPKV-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP COc1ccc2c(C)cc(N3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)[nH+]c2c1 ZINC001165434270 1383296418 /nfs/dbraw/zinc/29/64/18/1383296418.db2.gz QVYRVFARYXBHKO-CZUORRHYSA-N 2 1 329.419 3.065 20 0 EGADMP CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165485176 1383301783 /nfs/dbraw/zinc/30/17/83/1383301783.db2.gz OCOLAMPEAMOVMY-SFHVURJKSA-N 2 1 335.536 3.070 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165737252 1383335876 /nfs/dbraw/zinc/33/58/76/1383335876.db2.gz QTHVSQSTCHLADW-RTBURBONSA-N 2 1 349.563 3.460 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001166677408 1383458607 /nfs/dbraw/zinc/45/86/07/1383458607.db2.gz IZZYAXUUCQGTHL-ZWKOTPCHSA-N 2 1 345.531 3.309 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)C[N@H+]2CCC(C)(C)C2)c1 ZINC001166736224 1383468453 /nfs/dbraw/zinc/46/84/53/1383468453.db2.gz FFOUUMWVKTUALE-GOSISDBHSA-N 2 1 345.531 3.192 20 0 EGADMP C[NH2+]Cc1cn(-c2cc(N3CCCC3)[nH+]c(C)n2)c2ccc(C)cc12 ZINC001167121617 1383544816 /nfs/dbraw/zinc/54/48/16/1383544816.db2.gz QKOYGOYDHZHBPZ-UHFFFAOYSA-N 2 1 335.455 3.357 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001167351789 1383606095 /nfs/dbraw/zinc/60/60/95/1383606095.db2.gz MIOFDHFBILZWRV-UHFFFAOYSA-N 2 1 348.535 3.463 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001167351690 1383606314 /nfs/dbraw/zinc/60/63/14/1383606314.db2.gz IRTJKEOXIRYRAF-UHFFFAOYSA-N 2 1 348.535 3.319 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167426315 1383631351 /nfs/dbraw/zinc/63/13/51/1383631351.db2.gz RQQLQYLEIBXCEI-MSOLQXFVSA-N 2 1 335.536 3.070 20 0 EGADMP Cc1cccc([C@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001167505259 1383653385 /nfs/dbraw/zinc/65/33/85/1383653385.db2.gz RWBLESVPFZOFEN-RBBKRZOGSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1cccc([C@H](O)C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001167505259 1383653389 /nfs/dbraw/zinc/65/33/89/1383653389.db2.gz RWBLESVPFZOFEN-RBBKRZOGSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1cccc([C@H](O)C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001167505259 1383653392 /nfs/dbraw/zinc/65/33/92/1383653392.db2.gz RWBLESVPFZOFEN-RBBKRZOGSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1cccc([C@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001167505259 1383653395 /nfs/dbraw/zinc/65/33/95/1383653395.db2.gz RWBLESVPFZOFEN-RBBKRZOGSA-N 2 1 338.495 3.482 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001167591591 1383683150 /nfs/dbraw/zinc/68/31/50/1383683150.db2.gz JAVLJXQEJRFBNY-KRWDZBQOSA-N 2 1 336.524 3.175 20 0 EGADMP Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1C ZINC001167626748 1383692410 /nfs/dbraw/zinc/69/24/10/1383692410.db2.gz GUKZFDWLPZUDPV-FQEVSTJZSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167627012 1383692428 /nfs/dbraw/zinc/69/24/28/1383692428.db2.gz ISCMVFWSDYEOLR-ZWKOTPCHSA-N 2 1 325.541 3.027 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001167636775 1383694624 /nfs/dbraw/zinc/69/46/24/1383694624.db2.gz ZBFKIROQQGNWDN-LJQANCHMSA-N 2 1 349.563 3.316 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCC2)CC1 ZINC001167694811 1383713102 /nfs/dbraw/zinc/71/31/02/1383713102.db2.gz VMWIIAFILDTCLJ-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001167825226 1383750307 /nfs/dbraw/zinc/75/03/07/1383750307.db2.gz ICQIWPGRXDWAMX-DLBZAZTESA-N 2 1 341.540 3.344 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](Oc2ncccc2OC)C1 ZINC001167834763 1383752872 /nfs/dbraw/zinc/75/28/72/1383752872.db2.gz MTVGOAGMBUXVRQ-SJORKVTESA-N 2 1 335.492 3.054 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](Oc2cc(C)ncn2)C1 ZINC001167836255 1383754956 /nfs/dbraw/zinc/75/49/56/1383754956.db2.gz YKGMGZJBCBNWKR-ZWKOTPCHSA-N 2 1 334.508 3.139 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)N(c1cc(C)[nH+]c(C)n1)C1CC[NH2+]CC1 ZINC001167836251 1383755103 /nfs/dbraw/zinc/75/51/03/1383755103.db2.gz YJPFVZOIFHRJOU-QGZVFWFLSA-N 3 1 347.551 3.162 20 0 EGADMP c1ccc(C[N@H+]2CCOC3(CC[NH+]([C@@H]4C[C@H]5C[C@H]5C4)CC3)C2)cc1 ZINC001167938077 1383773145 /nfs/dbraw/zinc/77/31/45/1383773145.db2.gz DQBRXTZIYNPQHC-ACDBMABISA-N 2 1 326.484 3.152 20 0 EGADMP COc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1OC ZINC001167961633 1383780023 /nfs/dbraw/zinc/78/00/23/1383780023.db2.gz MEKYRMAKBDZRKN-YQQQUEKLSA-N 2 1 344.499 3.241 20 0 EGADMP COC(=O)C1CC(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168024254 1383799213 /nfs/dbraw/zinc/79/92/13/1383799213.db2.gz CVPWSZCPFMMLLQ-MQMXLAGYSA-N 2 1 344.499 3.217 20 0 EGADMP O=C(NCCC[NH2+]CCCC1CCCC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168031329 1383799837 /nfs/dbraw/zinc/79/98/37/1383799837.db2.gz ZBEMCQSCUPTORA-OALUTQOASA-N 2 1 335.536 3.070 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168044630 1383803966 /nfs/dbraw/zinc/80/39/66/1383803966.db2.gz GILTWZSYOWBMAY-CADBVGFASA-N 2 1 329.532 3.452 20 0 EGADMP COc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCO[C@@H](C)C1 ZINC001168091824 1383814850 /nfs/dbraw/zinc/81/48/50/1383814850.db2.gz BPQLIBQUNKULTN-WNHJNPCNSA-N 2 1 332.488 3.335 20 0 EGADMP C[NH+](C)C1CCC([N@@H+](C)C2CCN(Cc3ccccc3)CC2)CC1 ZINC001168313985 1383870987 /nfs/dbraw/zinc/87/09/87/1383870987.db2.gz HSWUMMXBAGGVFI-UHFFFAOYSA-N 2 1 329.532 3.456 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)CC1 ZINC001168324654 1383873549 /nfs/dbraw/zinc/87/35/49/1383873549.db2.gz SVVZEWOUXWVUFJ-HIFPTAJRSA-N 2 1 346.397 3.141 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC1(C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001168346418 1383880280 /nfs/dbraw/zinc/88/02/80/1383880280.db2.gz YWEZDDKGJLTHCK-INIZCTEOSA-N 2 1 349.494 3.103 20 0 EGADMP COc1ccc([C@H]2C[C@@H]([NH2+][C@H]3CCCC[C@@H]3[NH+](C)C)CCO2)cc1 ZINC001168592983 1383944026 /nfs/dbraw/zinc/94/40/26/1383944026.db2.gz BMVXDICXPWMCBL-FRYIKTPZSA-N 2 1 332.488 3.378 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC001168614239 1383949048 /nfs/dbraw/zinc/94/90/48/1383949048.db2.gz FHCCARAVBFZFSJ-SFHVURJKSA-N 2 1 333.520 3.356 20 0 EGADMP COc1ccc([C@@H]2C[C@@H](n3c[nH+]cc3C3CC[NH2+]CC3)CCO2)cc1 ZINC001168665424 1383963404 /nfs/dbraw/zinc/96/34/04/1383963404.db2.gz QMHICKUZMDNRGT-PXNSSMCTSA-N 2 1 341.455 3.452 20 0 EGADMP CC1(C)CN(CCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001307460888 1383996065 /nfs/dbraw/zinc/99/60/65/1383996065.db2.gz ZWQYYUQEGPQVQV-UHFFFAOYSA-N 2 1 329.532 3.459 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(OCC3CCOCC3)cc1)C2 ZINC001169115749 1384109400 /nfs/dbraw/zinc/10/94/00/1384109400.db2.gz OBGIRIMXTPPZMY-OWZKRDHZSA-N 2 1 344.499 3.207 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140169 1384112213 /nfs/dbraw/zinc/11/22/13/1384112213.db2.gz IATQWFXNWIETGQ-TXZRGUEPSA-N 2 1 341.543 3.454 20 0 EGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1N(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169140169 1384112215 /nfs/dbraw/zinc/11/22/15/1384112215.db2.gz IATQWFXNWIETGQ-TXZRGUEPSA-N 2 1 341.543 3.454 20 0 EGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1N(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169140169 1384112216 /nfs/dbraw/zinc/11/22/16/1384112216.db2.gz IATQWFXNWIETGQ-TXZRGUEPSA-N 2 1 341.543 3.454 20 0 EGADMP COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147019 1384114920 /nfs/dbraw/zinc/11/49/20/1384114920.db2.gz RFTBNWCSMDXUTH-KANFNMMFSA-N 2 1 332.488 3.157 20 0 EGADMP COC[C@H](C)[NH+](Cc1cccc(OC)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169147019 1384114924 /nfs/dbraw/zinc/11/49/24/1384114924.db2.gz RFTBNWCSMDXUTH-KANFNMMFSA-N 2 1 332.488 3.157 20 0 EGADMP COC[C@H](C)[NH+](Cc1cccc(OC)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147019 1384114926 /nfs/dbraw/zinc/11/49/26/1384114926.db2.gz RFTBNWCSMDXUTH-KANFNMMFSA-N 2 1 332.488 3.157 20 0 EGADMP COC(=O)c1cccc(C2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001169152711 1384115471 /nfs/dbraw/zinc/11/54/71/1384115471.db2.gz DMXXPRAKKJBCJV-PMOLBWCYSA-N 2 1 342.483 3.278 20 0 EGADMP CC[NH+]1CCC([N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)CC1 ZINC001169262183 1384128899 /nfs/dbraw/zinc/12/88/99/1384128899.db2.gz VTEHYJQIRKBAFD-NJAFHUGGSA-N 2 1 336.520 3.446 20 0 EGADMP CC[NH+]1CCC([N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)CC1 ZINC001169262183 1384128901 /nfs/dbraw/zinc/12/89/01/1384128901.db2.gz VTEHYJQIRKBAFD-NJAFHUGGSA-N 2 1 336.520 3.446 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(COc3cccc(OC)c3)CC2)CC1 ZINC001169266205 1384129670 /nfs/dbraw/zinc/12/96/70/1384129670.db2.gz UTKVNSHHGBIENU-UHFFFAOYSA-N 2 1 332.488 3.270 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc2nonc2c1 ZINC001308543699 1384131837 /nfs/dbraw/zinc/13/18/37/1384131837.db2.gz NESUZIZOHSXQSK-UHFFFAOYSA-N 2 1 338.455 3.471 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc2nonc2c1 ZINC001308543699 1384131839 /nfs/dbraw/zinc/13/18/39/1384131839.db2.gz NESUZIZOHSXQSK-UHFFFAOYSA-N 2 1 338.455 3.471 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2cnn(Cc3ccccc3)c2)CC1 ZINC001308654625 1384139986 /nfs/dbraw/zinc/13/99/86/1384139986.db2.gz ULHYIVHUORYYKM-UHFFFAOYSA-N 2 1 326.488 3.095 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc4c3OC(F)(F)O4)C2)CC1 ZINC001308744370 1384147006 /nfs/dbraw/zinc/14/70/06/1384147006.db2.gz USESOHMULKOTHG-CQSZACIVSA-N 2 1 338.398 3.172 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2cc3c([nH]c2=O)CCCC3)CC1 ZINC001308909751 1384158782 /nfs/dbraw/zinc/15/87/82/1384158782.db2.gz UJGAHQYPWNRCTP-UHFFFAOYSA-N 2 1 331.504 3.266 20 0 EGADMP Fc1ccccc1Cn1ccc2c1nc[nH+]c2NCC[C@H]1CCC[NH2+]1 ZINC001169558454 1384159528 /nfs/dbraw/zinc/15/95/28/1384159528.db2.gz DAQUKHRJUSVOHP-OAHLLOKOSA-N 2 1 339.418 3.173 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001169798926 1384187338 /nfs/dbraw/zinc/18/73/38/1384187338.db2.gz SYCKYMGYACBRRH-AZUAARDMSA-N 2 1 345.531 3.162 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169949182 1384202703 /nfs/dbraw/zinc/20/27/03/1384202703.db2.gz LKQHLQKLJHWKGH-HXUWFJFHSA-N 2 1 344.499 3.269 20 0 EGADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H]3CC[C@@H](C)C3)CC[C@@H]21 ZINC001170140053 1384246461 /nfs/dbraw/zinc/24/64/61/1384246461.db2.gz WSSGCQXHOBXPIF-SLHNCBLASA-N 2 1 330.520 3.245 20 0 EGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H]3CC[C@@H](C)C3)CC[C@@H]21 ZINC001170140053 1384246465 /nfs/dbraw/zinc/24/64/65/1384246465.db2.gz WSSGCQXHOBXPIF-SLHNCBLASA-N 2 1 330.520 3.245 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C)C3)CC[C@@H]21 ZINC001170140053 1384246469 /nfs/dbraw/zinc/24/64/69/1384246469.db2.gz WSSGCQXHOBXPIF-SLHNCBLASA-N 2 1 330.520 3.245 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@H]3CC[C@@H](C)C3)CC[C@@H]21 ZINC001170140053 1384246476 /nfs/dbraw/zinc/24/64/76/1384246476.db2.gz WSSGCQXHOBXPIF-SLHNCBLASA-N 2 1 330.520 3.245 20 0 EGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001170432144 1384317859 /nfs/dbraw/zinc/31/78/59/1384317859.db2.gz QMRMQIKNKHKLOG-CGTJXYLNSA-N 2 1 332.488 3.445 20 0 EGADMP CC[C@@H]1CC([NH2+]C(C)(C)C[NH3+])C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170461768 1384324640 /nfs/dbraw/zinc/32/46/40/1384324640.db2.gz WBTLIOZUEOYUNI-HUUCEWRRSA-N 2 1 327.513 3.270 20 0 EGADMP CC[C@@H]1C[C@@H]([N@@H+](C)C[C@H](C)C[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170476654 1384326547 /nfs/dbraw/zinc/32/65/47/1384326547.db2.gz ZGJPAVJPMWEPBQ-WCXIOVBPSA-N 2 1 341.540 3.470 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001170519031 1384333413 /nfs/dbraw/zinc/33/34/13/1384333413.db2.gz ZMRAMAQBTVIWEE-WAPOTWQKSA-N 2 1 342.483 3.113 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(F)c1 ZINC001170785068 1384384253 /nfs/dbraw/zinc/38/42/53/1384384253.db2.gz NFESHIMZBRSLLK-LJQANCHMSA-N 2 1 349.494 3.076 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CC2(CCC2)C1 ZINC001170784012 1384384487 /nfs/dbraw/zinc/38/44/87/1384384487.db2.gz CAAKBCLOLGZCIS-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170868820 1384402132 /nfs/dbraw/zinc/40/21/32/1384402132.db2.gz NOCNUVPLZNMQQE-OAUYIBNBSA-N 2 1 337.305 3.236 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170868820 1384402133 /nfs/dbraw/zinc/40/21/33/1384402133.db2.gz NOCNUVPLZNMQQE-OAUYIBNBSA-N 2 1 337.305 3.236 20 0 EGADMP Nc1cc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)[nH+]cc1C(F)(F)F ZINC001171091507 1384444269 /nfs/dbraw/zinc/44/42/69/1384444269.db2.gz SDVGEYZIUJMGNW-JTQLQIEISA-N 2 1 346.356 3.443 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1 ZINC001171122355 1384450202 /nfs/dbraw/zinc/45/02/02/1384450202.db2.gz ZYMODTIQWAANEC-IEBWSBKVSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001171235707 1384476430 /nfs/dbraw/zinc/47/64/30/1384476430.db2.gz IUGQWXJMHWMYOB-RTBURBONSA-N 2 1 337.552 3.195 20 0 EGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171245694 1384477093 /nfs/dbraw/zinc/47/70/93/1384477093.db2.gz AZJLKYXRAYZDEU-IRXDYDNUSA-N 2 1 334.508 3.215 20 0 EGADMP COC(=O)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001335764564 1388926960 /nfs/dbraw/zinc/92/69/60/1388926960.db2.gz OBCOFAGIXNOCJJ-MJQMVNBJSA-N 2 1 336.520 3.208 20 0 EGADMP CCc1ncnc2c1CC[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001171637262 1384587527 /nfs/dbraw/zinc/58/75/27/1384587527.db2.gz LOKFJFOUFZYNNL-UHFFFAOYSA-N 2 1 330.520 3.091 20 0 EGADMP COC(=O)CC[N@H+](Cc1ccco1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171638202 1384587842 /nfs/dbraw/zinc/58/78/42/1384587842.db2.gz WRTTWINITDWSQJ-UHFFFAOYSA-N 2 1 336.476 3.296 20 0 EGADMP COC(=O)CC[N@@H+](Cc1ccco1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171638202 1384587845 /nfs/dbraw/zinc/58/78/45/1384587845.db2.gz WRTTWINITDWSQJ-UHFFFAOYSA-N 2 1 336.476 3.296 20 0 EGADMP C[C@H]1C[C@@H](N2CCC([NH+]3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171746929 1384624492 /nfs/dbraw/zinc/62/44/92/1384624492.db2.gz UVTQROYTMXWQSX-GHTZIAJQSA-N 2 1 327.516 3.210 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[NH+](CC3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171763200 1384629060 /nfs/dbraw/zinc/62/90/60/1384629060.db2.gz OTKIATNODJLMBE-DENIHFKCSA-N 2 1 341.543 3.457 20 0 EGADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171829262 1384652734 /nfs/dbraw/zinc/65/27/34/1384652734.db2.gz WIPIFVRRNNPVTA-OAHLLOKOSA-N 2 1 348.491 3.187 20 0 EGADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171893983 1384672348 /nfs/dbraw/zinc/67/23/48/1384672348.db2.gz BAQSHMRJDHGWNZ-IBGZPJMESA-N 2 1 343.515 3.097 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171893983 1384672351 /nfs/dbraw/zinc/67/23/51/1384672351.db2.gz BAQSHMRJDHGWNZ-IBGZPJMESA-N 2 1 343.515 3.097 20 0 EGADMP CC1(C)C[C@H](n2cc3c(n2)CC[C@H]([NH3+])C3)CC[N@H+]1Cc1ccccc1 ZINC001171977561 1384701669 /nfs/dbraw/zinc/70/16/69/1384701669.db2.gz CKCCEFOHSKJCHD-RBUKOAKNSA-N 2 1 338.499 3.315 20 0 EGADMP CCCC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C(N)=O ZINC001171977879 1384702458 /nfs/dbraw/zinc/70/24/58/1384702458.db2.gz HPTRKHWTHDXYNU-MSOLQXFVSA-N 2 1 331.504 3.063 20 0 EGADMP CCCC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(N)=O ZINC001171977879 1384702463 /nfs/dbraw/zinc/70/24/63/1384702463.db2.gz HPTRKHWTHDXYNU-MSOLQXFVSA-N 2 1 331.504 3.063 20 0 EGADMP CC1(C)C[C@H]([NH2+]CCOc2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC001171978121 1384702790 /nfs/dbraw/zinc/70/27/90/1384702790.db2.gz IUPGJTSTGHZNDR-LJQANCHMSA-N 2 1 339.483 3.493 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984688 1384703318 /nfs/dbraw/zinc/70/33/18/1384703318.db2.gz XOVSQJFKXYHPAP-IEBWSBKVSA-N 2 1 338.499 3.440 20 0 EGADMP CC1(C)OCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CO1 ZINC001171983680 1384703554 /nfs/dbraw/zinc/70/35/54/1384703554.db2.gz PLAPPZZUCSNKNC-KRWDZBQOSA-N 2 1 332.488 3.171 20 0 EGADMP CC1(C)OCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CO1 ZINC001171983680 1384703557 /nfs/dbraw/zinc/70/35/57/1384703557.db2.gz PLAPPZZUCSNKNC-KRWDZBQOSA-N 2 1 332.488 3.171 20 0 EGADMP CC1(C)C[C@@H]([NH2+]C[C@@H](O)c2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC001171983800 1384704160 /nfs/dbraw/zinc/70/41/60/1384704160.db2.gz QCGRHQOGRIOEJL-AZUAARDMSA-N 2 1 339.483 3.148 20 0 EGADMP CC1(C)C[C@@H]([NH2+]C[C@@H](O)c2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC001171983800 1384704163 /nfs/dbraw/zinc/70/41/63/1384704163.db2.gz QCGRHQOGRIOEJL-AZUAARDMSA-N 2 1 339.483 3.148 20 0 EGADMP CCOC(=O)[C@H](C)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065003 1384717129 /nfs/dbraw/zinc/71/71/29/1384717129.db2.gz GYZAWOYPEQZPKO-RSPOEFSDSA-N 2 1 344.499 3.361 20 0 EGADMP C[C@]1(CO)CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068717 1384718069 /nfs/dbraw/zinc/71/80/69/1384718069.db2.gz KAKDMTJQSFMOKD-BQJUDKOJSA-N 2 1 328.500 3.276 20 0 EGADMP C[C@]1(CO)CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068717 1384718075 /nfs/dbraw/zinc/71/80/75/1384718075.db2.gz KAKDMTJQSFMOKD-BQJUDKOJSA-N 2 1 328.500 3.276 20 0 EGADMP C[C@]1(CO)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068717 1384718076 /nfs/dbraw/zinc/71/80/76/1384718076.db2.gz KAKDMTJQSFMOKD-BQJUDKOJSA-N 2 1 328.500 3.276 20 0 EGADMP C[C@]1(CO)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068717 1384718079 /nfs/dbraw/zinc/71/80/79/1384718079.db2.gz KAKDMTJQSFMOKD-BQJUDKOJSA-N 2 1 328.500 3.276 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CC[NH+]4CCC[C@@H]4C2)C3)cc1 ZINC001172071213 1384718402 /nfs/dbraw/zinc/71/84/02/1384718402.db2.gz DASOPOBSJHWIID-CIAFKFPVSA-N 2 1 339.527 3.352 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H](N2CC[N@@H+]4CCC[C@@H]4C2)C3)cc1 ZINC001172071213 1384718405 /nfs/dbraw/zinc/71/84/05/1384718405.db2.gz DASOPOBSJHWIID-CIAFKFPVSA-N 2 1 339.527 3.352 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H](N2CC[N@H+]4CCC[C@@H]4C2)C3)cc1 ZINC001172071213 1384718406 /nfs/dbraw/zinc/71/84/06/1384718406.db2.gz DASOPOBSJHWIID-CIAFKFPVSA-N 2 1 339.527 3.352 20 0 EGADMP C[C@@H]1C[C@@H](O)CC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074679 1384719820 /nfs/dbraw/zinc/71/98/20/1384719820.db2.gz KHUMDBSUHYPCCR-RQXATKFSSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1C[C@@H](O)CC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074679 1384719822 /nfs/dbraw/zinc/71/98/22/1384719822.db2.gz KHUMDBSUHYPCCR-RQXATKFSSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1C[C@@H](O)CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074679 1384719828 /nfs/dbraw/zinc/71/98/28/1384719828.db2.gz KHUMDBSUHYPCCR-RQXATKFSSA-N 2 1 328.500 3.417 20 0 EGADMP C[C@@H]1C[C@@H](O)CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074679 1384719833 /nfs/dbraw/zinc/71/98/33/1384719833.db2.gz KHUMDBSUHYPCCR-RQXATKFSSA-N 2 1 328.500 3.417 20 0 EGADMP F[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074540 1384719843 /nfs/dbraw/zinc/71/98/43/1384719843.db2.gz WYSHIRRJCPEGCC-USYVTKNRSA-N 2 1 332.463 3.289 20 0 EGADMP F[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074540 1384719846 /nfs/dbraw/zinc/71/98/46/1384719846.db2.gz WYSHIRRJCPEGCC-USYVTKNRSA-N 2 1 332.463 3.289 20 0 EGADMP Cn1ccnc1CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075619 1384720104 /nfs/dbraw/zinc/72/01/04/1384720104.db2.gz CLKMLDVQPSTNLU-OWZKRDHZSA-N 2 1 338.499 3.138 20 0 EGADMP Cc1cccc(C[NH+]2CC[C@H](N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172113742 1384731401 /nfs/dbraw/zinc/73/14/01/1384731401.db2.gz JWMOTCLENMFODZ-XSDIEEQYSA-N 2 1 327.516 3.174 20 0 EGADMP Cc1cccc(C[N@H+]2CC[C@H](N[C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172113742 1384731402 /nfs/dbraw/zinc/73/14/02/1384731402.db2.gz JWMOTCLENMFODZ-XSDIEEQYSA-N 2 1 327.516 3.174 20 0 EGADMP Cc1cccc(C[N@@H+]2CC[C@H](N[C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172113742 1384731404 /nfs/dbraw/zinc/73/14/04/1384731404.db2.gz JWMOTCLENMFODZ-XSDIEEQYSA-N 2 1 327.516 3.174 20 0 EGADMP Cc1ccc(C2(O)CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172115302 1384731591 /nfs/dbraw/zinc/73/15/91/1384731591.db2.gz WFBQCMQYALHKEP-PMOLBWCYSA-N 2 1 328.500 3.294 20 0 EGADMP Cc1ccc(C2(O)CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001172115302 1384731601 /nfs/dbraw/zinc/73/16/01/1384731601.db2.gz WFBQCMQYALHKEP-PMOLBWCYSA-N 2 1 328.500 3.294 20 0 EGADMP Cc1ccc(C[NH+]2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001172121138 1384735019 /nfs/dbraw/zinc/73/50/19/1384735019.db2.gz IAFPVKUZLSGIJV-WKCHPHFGSA-N 2 1 327.516 3.128 20 0 EGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127360 1384736426 /nfs/dbraw/zinc/73/64/26/1384736426.db2.gz IPYOTYDJGJFEHO-FNAHDJPLSA-N 2 1 341.543 3.456 20 0 EGADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127360 1384736430 /nfs/dbraw/zinc/73/64/30/1384736430.db2.gz IPYOTYDJGJFEHO-FNAHDJPLSA-N 2 1 341.543 3.456 20 0 EGADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127360 1384736431 /nfs/dbraw/zinc/73/64/31/1384736431.db2.gz IPYOTYDJGJFEHO-FNAHDJPLSA-N 2 1 341.543 3.456 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(Oc3ccc(F)cn3)CC1)C2 ZINC001172130435 1384738096 /nfs/dbraw/zinc/73/80/96/1384738096.db2.gz IIICRFCPWDAQBX-BJWYYQGGSA-N 2 1 333.451 3.079 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(Oc3ccc(F)cn3)CC1)C2 ZINC001172130435 1384738099 /nfs/dbraw/zinc/73/80/99/1384738099.db2.gz IIICRFCPWDAQBX-BJWYYQGGSA-N 2 1 333.451 3.079 20 0 EGADMP COc1ccccc1C[N@H+](C1C[C@@H]2C=C[C@H](C1)O2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172235750 1384753789 /nfs/dbraw/zinc/75/37/89/1384753789.db2.gz XNBHBIQLPCVRTJ-LJRDSGNISA-N 2 1 342.483 3.253 20 0 EGADMP COCCC[NH+]1CCC([NH2+]C2(Cc3ccccc3OC)CCC2)CC1 ZINC001172248427 1384756188 /nfs/dbraw/zinc/75/61/88/1384756188.db2.gz GZUQEAYSHPTYBS-UHFFFAOYSA-N 2 1 346.515 3.251 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172328759 1384771049 /nfs/dbraw/zinc/77/10/49/1384771049.db2.gz DGRBNNODUDJTSV-AABGKKOBSA-N 2 1 340.552 3.403 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172328759 1384771051 /nfs/dbraw/zinc/77/10/51/1384771051.db2.gz DGRBNNODUDJTSV-AABGKKOBSA-N 2 1 340.552 3.403 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001172328759 1384771056 /nfs/dbraw/zinc/77/10/56/1384771056.db2.gz DGRBNNODUDJTSV-AABGKKOBSA-N 2 1 340.552 3.403 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001172328759 1384771058 /nfs/dbraw/zinc/77/10/58/1384771058.db2.gz DGRBNNODUDJTSV-AABGKKOBSA-N 2 1 340.552 3.403 20 0 EGADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172328765 1384771484 /nfs/dbraw/zinc/77/14/84/1384771484.db2.gz DGRBNNODUDJTSV-UFYCRDLUSA-N 2 1 340.552 3.403 20 0 EGADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172328765 1384771488 /nfs/dbraw/zinc/77/14/88/1384771488.db2.gz DGRBNNODUDJTSV-UFYCRDLUSA-N 2 1 340.552 3.403 20 0 EGADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001172328765 1384771491 /nfs/dbraw/zinc/77/14/91/1384771491.db2.gz DGRBNNODUDJTSV-UFYCRDLUSA-N 2 1 340.552 3.403 20 0 EGADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001172328765 1384771493 /nfs/dbraw/zinc/77/14/93/1384771493.db2.gz DGRBNNODUDJTSV-UFYCRDLUSA-N 2 1 340.552 3.403 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCN(C)CC2)C[C@H]1C ZINC001172357347 1384777353 /nfs/dbraw/zinc/77/73/53/1384777353.db2.gz CQQDEJPMVJZGAT-DBXWQHBBSA-N 2 1 329.532 3.348 20 0 EGADMP CC(C)OC(=O)CC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172757172 1384844892 /nfs/dbraw/zinc/84/48/92/1384844892.db2.gz UIIRYVWYNZCVGG-HKUYNNGSSA-N 2 1 332.488 3.218 20 0 EGADMP C[C@@H](CSc1ccc(Cl)cc1)[NH+]1CCN(CCCC[NH3+])CC1 ZINC001172874638 1384870816 /nfs/dbraw/zinc/87/08/16/1384870816.db2.gz ZZVWGPCHTKUNMV-HNNXBMFYSA-N 2 1 341.952 3.177 20 0 EGADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)C1 ZINC001172942396 1384884720 /nfs/dbraw/zinc/88/47/20/1384884720.db2.gz OURVHINMCPMPIQ-WOJBJXKFSA-N 2 1 343.515 3.327 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001317140726 1384908114 /nfs/dbraw/zinc/90/81/14/1384908114.db2.gz SFQUTDIHVKOUGN-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP CCn1cc2c(n1)C[N@H+](C1CCC([NH+](CC)CC)CC1)C[C@H]2COC ZINC001173111859 1384916915 /nfs/dbraw/zinc/91/69/15/1384916915.db2.gz RDTIQZPDZMHMKC-AOCRQIFASA-N 2 1 348.535 3.102 20 0 EGADMP CCn1cc2c(n1)C[N@@H+](C1CCC([NH+](CC)CC)CC1)C[C@H]2COC ZINC001173111859 1384916917 /nfs/dbraw/zinc/91/69/17/1384916917.db2.gz RDTIQZPDZMHMKC-AOCRQIFASA-N 2 1 348.535 3.102 20 0 EGADMP CCn1ncc2c1[C@@H](COC)C[N@H+](C1CCC([NH+](CC)CC)CC1)C2 ZINC001173112276 1384917310 /nfs/dbraw/zinc/91/73/10/1384917310.db2.gz ZLQPRIYENYDBEG-LMDPOFIKSA-N 2 1 348.535 3.102 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](Oc3ccncc3C)C2)CC1 ZINC001173113255 1384917569 /nfs/dbraw/zinc/91/75/69/1384917569.db2.gz IRJMZKRFRBGZFQ-CTWPCTMYSA-N 2 1 331.504 3.496 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](Oc3ccc(OC)cn3)C2)CC1 ZINC001173113850 1384917949 /nfs/dbraw/zinc/91/79/49/1384917949.db2.gz MYLRSEURXUWHMA-FAFZWHIHSA-N 2 1 347.503 3.196 20 0 EGADMP CCOC(=O)N1CCC([N@@H+](C)C2CCC([NH+](CC)CC)CC2)CC1 ZINC001173115235 1384918510 /nfs/dbraw/zinc/91/85/10/1384918510.db2.gz ZTFBJUCZECJVOC-UHFFFAOYSA-N 2 1 339.524 3.192 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)[C@H]2CCc3ncsc3C2)CC1 ZINC001173131620 1384920547 /nfs/dbraw/zinc/92/05/47/1384920547.db2.gz LFJIOGXJUBJSMR-ULQDDVLXSA-N 2 1 342.512 3.168 20 0 EGADMP CC[C@H]1CC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001173279970 1384950004 /nfs/dbraw/zinc/95/00/04/1384950004.db2.gz NHKBDMNUWNSRJT-FYZZASKESA-N 2 1 343.515 3.183 20 0 EGADMP CC[C@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001173279970 1384950007 /nfs/dbraw/zinc/95/00/07/1384950007.db2.gz NHKBDMNUWNSRJT-FYZZASKESA-N 2 1 343.515 3.183 20 0 EGADMP CC[C@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001173279970 1384950010 /nfs/dbraw/zinc/95/00/10/1384950010.db2.gz NHKBDMNUWNSRJT-FYZZASKESA-N 2 1 343.515 3.183 20 0 EGADMP CCSC[C@@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001173305291 1384955049 /nfs/dbraw/zinc/95/50/49/1384955049.db2.gz IMSXXNWPVIKWLX-GOSISDBHSA-N 2 1 348.556 3.495 20 0 EGADMP CC[N@H+]1CC[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC001173364106 1384964773 /nfs/dbraw/zinc/96/47/73/1384964773.db2.gz TYTKGMVGYNXVFQ-JOCHJYFZSA-N 2 1 349.522 3.488 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001317196342 1384970262 /nfs/dbraw/zinc/97/02/62/1384970262.db2.gz AHDTYLHPFUGBCL-IBGZPJMESA-N 2 1 335.536 3.189 20 0 EGADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173677489 1385001853 /nfs/dbraw/zinc/00/18/53/1385001853.db2.gz AIXKMYDBTDVRAM-KLZNWCGWSA-N 2 1 339.524 3.093 20 0 EGADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173677489 1385001856 /nfs/dbraw/zinc/00/18/56/1385001856.db2.gz AIXKMYDBTDVRAM-KLZNWCGWSA-N 2 1 339.524 3.093 20 0 EGADMP CC(=O)Oc1ccc(C2CCC([NH2+]CCn3cc[nH+]c3C)CC2)cc1 ZINC001173781154 1385015585 /nfs/dbraw/zinc/01/55/85/1385015585.db2.gz BGGRXDLDNNXFSE-UHFFFAOYSA-N 2 1 341.455 3.433 20 0 EGADMP CCc1cccc(C[N@@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001317445891 1385146707 /nfs/dbraw/zinc/14/67/07/1385146707.db2.gz MRFKKWGVEPNTBH-UHFFFAOYSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)Cc1c(C)ccc2ccccc21 ZINC001317468018 1385161801 /nfs/dbraw/zinc/16/18/01/1385161801.db2.gz NXYMANPMEGLPOK-UHFFFAOYSA-N 2 1 341.499 3.038 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)Cc1c(C)ccc2ccccc21 ZINC001317468018 1385161802 /nfs/dbraw/zinc/16/18/02/1385161802.db2.gz NXYMANPMEGLPOK-UHFFFAOYSA-N 2 1 341.499 3.038 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)Cc1c(C)ccc2ccccc21 ZINC001317468018 1385161804 /nfs/dbraw/zinc/16/18/04/1385161804.db2.gz NXYMANPMEGLPOK-UHFFFAOYSA-N 2 1 341.499 3.038 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C)C1 ZINC001174881941 1385164540 /nfs/dbraw/zinc/16/45/40/1385164540.db2.gz MTAPYEWUZWBZDU-RBUKOAKNSA-N 2 1 339.568 3.419 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175262703 1385233088 /nfs/dbraw/zinc/23/30/88/1385233088.db2.gz KDZHSRKYYRBXDF-DLBZAZTESA-N 2 1 325.541 3.029 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@@H](C)c1ccc(F)cc1 ZINC001317543588 1385286543 /nfs/dbraw/zinc/28/65/43/1385286543.db2.gz XXDUAVBCGBHFLO-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H](C)c1ccc(F)cc1 ZINC001317543588 1385286546 /nfs/dbraw/zinc/28/65/46/1385286546.db2.gz XXDUAVBCGBHFLO-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[C@@H](C)c1ccc(F)cc1 ZINC001317543588 1385286549 /nfs/dbraw/zinc/28/65/49/1385286549.db2.gz XXDUAVBCGBHFLO-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CCC2CCCCCC2)C2CC2)CC[N@H+]1C ZINC001317552485 1385313162 /nfs/dbraw/zinc/31/31/62/1385313162.db2.gz KBBQTFOUHNHSKF-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](CCC2CCCCCC2)C2CC2)CC[NH+]1C ZINC001317552485 1385313169 /nfs/dbraw/zinc/31/31/69/1385313169.db2.gz KBBQTFOUHNHSKF-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](CCC2CCCCCC2)C2CC2)CC[NH+]1C ZINC001317552485 1385313175 /nfs/dbraw/zinc/31/31/75/1385313175.db2.gz KBBQTFOUHNHSKF-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175529376 1385322674 /nfs/dbraw/zinc/32/26/74/1385322674.db2.gz VABOYZZCQWQEAI-HZPDHXFCSA-N 2 1 340.487 3.019 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl ZINC001175574046 1385336907 /nfs/dbraw/zinc/33/69/07/1385336907.db2.gz SYNULKKFLPCQDT-ZJJGVRJWSA-N 2 1 343.943 3.266 20 0 EGADMP COc1[nH+]ccc(N)c1Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001175796319 1385407833 /nfs/dbraw/zinc/40/78/33/1385407833.db2.gz JHZQHZJAJPDUMI-UHFFFAOYSA-N 2 1 342.443 3.281 20 0 EGADMP CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001317766678 1385456251 /nfs/dbraw/zinc/45/62/51/1385456251.db2.gz HGODDZJJGVJFOH-GQSKFBFOSA-N 2 1 343.943 3.030 20 0 EGADMP CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001317766678 1385456254 /nfs/dbraw/zinc/45/62/54/1385456254.db2.gz HGODDZJJGVJFOH-GQSKFBFOSA-N 2 1 343.943 3.030 20 0 EGADMP CCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1CC[NH+](C/C=C\Cl)C1 ZINC001317766678 1385456257 /nfs/dbraw/zinc/45/62/57/1385456257.db2.gz HGODDZJJGVJFOH-GQSKFBFOSA-N 2 1 343.943 3.030 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1CC[NH+](C/C=C\Cl)C1 ZINC001317766678 1385456260 /nfs/dbraw/zinc/45/62/60/1385456260.db2.gz HGODDZJJGVJFOH-GQSKFBFOSA-N 2 1 343.943 3.030 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001176024953 1385463977 /nfs/dbraw/zinc/46/39/77/1385463977.db2.gz VOTUASIZYAIAAK-CVEARBPZSA-N 2 1 347.494 3.028 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)cc1C ZINC001176024646 1385464061 /nfs/dbraw/zinc/46/40/61/1385464061.db2.gz QFUGCABQKTWYEX-IBGZPJMESA-N 2 1 347.547 3.410 20 0 EGADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001176120138 1385489305 /nfs/dbraw/zinc/48/93/05/1385489305.db2.gz JLQVFVAQUJYNAQ-IEBWSBKVSA-N 2 1 333.520 3.354 20 0 EGADMP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001176120137 1385489552 /nfs/dbraw/zinc/48/95/52/1385489552.db2.gz JLQVFVAQUJYNAQ-HKUYNNGSSA-N 2 1 333.520 3.354 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176165193 1385500761 /nfs/dbraw/zinc/50/07/61/1385500761.db2.gz JCTUIEDACJPGBW-FNYRVFDFSA-N 2 1 337.552 3.339 20 0 EGADMP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176166143 1385501306 /nfs/dbraw/zinc/50/13/06/1385501306.db2.gz QCDGAJLVEUTYSI-OALUTQOASA-N 2 1 345.531 3.101 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]C/C=C/c1ccccc1 ZINC001176279640 1385536796 /nfs/dbraw/zinc/53/67/96/1385536796.db2.gz OQTYDHVQJUMHSJ-ATEOEAFZSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001176286746 1385539730 /nfs/dbraw/zinc/53/97/30/1385539730.db2.gz XKJJGHWUOGXOHF-IBGZPJMESA-N 2 1 347.547 3.410 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+][C@H](C)c1ccccc1 ZINC001176285773 1385540030 /nfs/dbraw/zinc/54/00/30/1385540030.db2.gz RBYLWQYRRJZGEF-ZWKOTPCHSA-N 2 1 333.520 3.354 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1CCC[N@H+]([C@@H](CC)c2ccccc2)C1)[NH+](C)C ZINC001317985103 1385599869 /nfs/dbraw/zinc/59/98/69/1385599869.db2.gz MRTSHMWFCBRHRP-FHWLQOOXSA-N 2 1 331.504 3.059 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1 ZINC001176759582 1385687087 /nfs/dbraw/zinc/68/70/87/1385687087.db2.gz KSQGICANJSBANN-MJGOQNOKSA-N 2 1 337.552 3.316 20 0 EGADMP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@@H+](CCCC2CCCC2)C1)[NH+](C)C ZINC001318484740 1385718527 /nfs/dbraw/zinc/71/85/27/1385718527.db2.gz ZAUOTBYAYAILLN-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C(C)C)cc1 ZINC001176971522 1385760285 /nfs/dbraw/zinc/76/02/85/1385760285.db2.gz BFYLTSSNBGZANV-QGZVFWFLSA-N 2 1 333.520 3.307 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177316818 1385911203 /nfs/dbraw/zinc/91/12/03/1385911203.db2.gz HNUWHKCGFQKWPJ-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001319286368 1386043634 /nfs/dbraw/zinc/04/36/34/1386043634.db2.gz VNIFPRMZSZEMNH-HKUYNNGSSA-N 2 1 337.552 3.173 20 0 EGADMP CCc1ccc(C[NH2+]CCCCCCNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001178045640 1386115843 /nfs/dbraw/zinc/11/58/43/1386115843.db2.gz QOMUBVRMWDWMFI-HXUWFJFHSA-N 2 1 345.531 3.109 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001178527407 1386241731 /nfs/dbraw/zinc/24/17/31/1386241731.db2.gz KYSFYINJKMRQRV-KRWDZBQOSA-N 2 1 348.535 3.463 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001178692998 1386279806 /nfs/dbraw/zinc/27/98/06/1386279806.db2.gz GRRAMRFCWZHOHL-IBGZPJMESA-N 2 1 337.552 3.316 20 0 EGADMP C[C@H]([NH2+]CCCCCCNC(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC001178705616 1386285181 /nfs/dbraw/zinc/28/51/81/1386285181.db2.gz VYIOPESDBNTAQH-SFHVURJKSA-N 2 1 345.531 3.498 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]([NH2+]CCCC(C)C)[C@@H]1C ZINC001178735943 1386292914 /nfs/dbraw/zinc/29/29/14/1386292914.db2.gz LJYNVBWSXUEOPA-SQNIBIBYSA-N 2 1 348.535 3.412 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001178833030 1386322023 /nfs/dbraw/zinc/32/20/23/1386322023.db2.gz NGKLYNDWHAKSMW-SFHVURJKSA-N 2 1 337.552 3.173 20 0 EGADMP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178890024 1386339408 /nfs/dbraw/zinc/33/94/08/1386339408.db2.gz FOWVUAMZQHJLJI-PMEOWRCESA-N 2 1 335.536 3.185 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178891410 1386340295 /nfs/dbraw/zinc/34/02/95/1386340295.db2.gz RTXOKDUZNOUKSR-OTWHNJEPSA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001320008150 1386449595 /nfs/dbraw/zinc/44/95/95/1386449595.db2.gz DFHDVIBAEMZKDG-IBGZPJMESA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001320008150 1386449598 /nfs/dbraw/zinc/44/95/98/1386449598.db2.gz DFHDVIBAEMZKDG-IBGZPJMESA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)CCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001320008150 1386449599 /nfs/dbraw/zinc/44/95/99/1386449599.db2.gz DFHDVIBAEMZKDG-IBGZPJMESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]CC[C@H](C)F)C1 ZINC001179358022 1386462927 /nfs/dbraw/zinc/46/29/27/1386462927.db2.gz QPGPBMZALJLTJL-ZWKOTPCHSA-N 2 1 343.531 3.123 20 0 EGADMP Cc1c(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc2c[nH+]cn21 ZINC001320101264 1386512532 /nfs/dbraw/zinc/51/25/32/1386512532.db2.gz BTSOLMZDZDJEST-ZBFHGGJFSA-N 2 1 340.471 3.026 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001179580825 1386522418 /nfs/dbraw/zinc/52/24/18/1386522418.db2.gz RONXVYZSTSWOMR-KRWDZBQOSA-N 2 1 337.552 3.173 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179630914 1386536303 /nfs/dbraw/zinc/53/63/03/1386536303.db2.gz YZPRKQRJTKPTCI-VUOWKATKSA-N 2 1 346.519 3.332 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001179714229 1386562317 /nfs/dbraw/zinc/56/23/17/1386562317.db2.gz LKOPPHXMDYSWQO-UHFFFAOYSA-N 2 1 336.524 3.319 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001179714458 1386563259 /nfs/dbraw/zinc/56/32/59/1386563259.db2.gz VLZSAUPMZSEYNU-UHFFFAOYSA-N 2 1 336.524 3.463 20 0 EGADMP CCC/C=C/CC[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001180060496 1386682890 /nfs/dbraw/zinc/68/28/90/1386682890.db2.gz FHOWNWDZQOIENO-UEKDZROGSA-N 2 1 337.552 3.341 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001180123197 1386704091 /nfs/dbraw/zinc/70/40/91/1386704091.db2.gz AGACIBHYDPFRIP-MRXNPFEDSA-N 2 1 347.494 3.030 20 0 EGADMP CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C)cc1 ZINC001180226963 1386738635 /nfs/dbraw/zinc/73/86/35/1386738635.db2.gz VVGCZPJLNIDVLD-PXNSSMCTSA-N 2 1 345.531 3.229 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC/C=C/c2ccccc2)[C@@H]1C ZINC001180226659 1386738826 /nfs/dbraw/zinc/73/88/26/1386738826.db2.gz FSEXRCFJXCIBJH-FBAPOHRVSA-N 2 1 343.515 3.009 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCCCCC[NH2+]C[C@@H](C)CC(C)C ZINC001180274497 1386752131 /nfs/dbraw/zinc/75/21/31/1386752131.db2.gz HIECUPVIUYVXGS-KRWDZBQOSA-N 2 1 336.524 3.140 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001180351399 1386771589 /nfs/dbraw/zinc/77/15/89/1386771589.db2.gz BEMQLMLBPRDFKW-KDURUIRLSA-N 2 1 345.531 3.326 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001321033551 1386789574 /nfs/dbraw/zinc/78/95/74/1386789574.db2.gz VMPLPDQIXPYNEM-UHFFFAOYSA-N 2 1 326.488 3.297 20 0 EGADMP Cc1nccn1-c1ccncc1NC(=O)c1c[nH]c(=O)c2ccccc12 ZINC001321729753 1386967741 /nfs/dbraw/zinc/96/77/41/1386967741.db2.gz USUGLASXXIQTQO-UHFFFAOYSA-N 2 1 345.362 3.082 20 0 EGADMP CCCCC[N@@H+](C)CCC(=O)N(C1CCCC1)C1CC[NH+](C)CC1 ZINC001181865676 1387066516 /nfs/dbraw/zinc/06/65/16/1387066516.db2.gz ZOOVJSGENJTJIG-UHFFFAOYSA-N 2 1 337.552 3.364 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182589948 1387192839 /nfs/dbraw/zinc/19/28/39/1387192839.db2.gz LIGFUQYRAVDMCL-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CCC[N@@H+](CC)C2)c1 ZINC001329225791 1389027830 /nfs/dbraw/zinc/02/78/30/1389027830.db2.gz MOOBSIZVDIWIPK-OAHLLOKOSA-N 2 1 348.491 3.152 20 0 EGADMP [NH3+]CCC[N@H+](Cc1ccc(C(=O)N2CCCC2)cc1)CC1CCCC1 ZINC001329498987 1389131676 /nfs/dbraw/zinc/13/16/76/1389131676.db2.gz JWXPKGUYTDNFDJ-UHFFFAOYSA-N 2 1 343.515 3.264 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC001336778703 1389167585 /nfs/dbraw/zinc/16/75/85/1389167585.db2.gz AGEAHDJSAHHFQQ-NQIIRXRSSA-N 2 1 340.511 3.453 20 0 EGADMP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@@H+](C)CC1CCCCC1 ZINC001329623135 1389189054 /nfs/dbraw/zinc/18/90/54/1389189054.db2.gz IFPITVIDACZADO-KRWDZBQOSA-N 2 1 345.531 3.379 20 0 EGADMP C[C@@H](CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001331000300 1389591929 /nfs/dbraw/zinc/59/19/29/1389591929.db2.gz NGPCASAXNNNOCI-UONOGXRCSA-N 2 1 337.895 3.366 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC(C)(C)C[NH3+])cc1 ZINC001340034757 1390212018 /nfs/dbraw/zinc/21/20/18/1390212018.db2.gz XFOVKOCWJYTITA-INIZCTEOSA-N 2 1 331.504 3.052 20 0 EGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]([NH3+])CC(C)C ZINC001340105608 1390226831 /nfs/dbraw/zinc/22/68/31/1390226831.db2.gz ONEPGCVTLOWRDV-PMACEKPBSA-N 2 1 345.531 3.121 20 0 EGADMP C[N@@H+](CCCNC(=O)[C@H]1CCCCC12CC[NH2+]CC2)C1CCCCC1 ZINC001340810023 1390373940 /nfs/dbraw/zinc/37/39/40/1390373940.db2.gz UDQNSXLOIDWRMZ-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP COc1ccc2nc(C[N@H+]3C[C@@H]4CC[C@H]([NH+](C)C)C[C@@H]4C3)sc2c1 ZINC001343332645 1390707664 /nfs/dbraw/zinc/70/76/64/1390707664.db2.gz GQSYAUQQNUMPQJ-ZNMIVQPWSA-N 2 1 345.512 3.467 20 0 EGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001343333051 1390707688 /nfs/dbraw/zinc/70/76/88/1390707688.db2.gz MGKGPYWCJVUAAY-BZSNNMDCSA-N 2 1 332.536 3.417 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3OCC(F)F)C[C@H]2C1 ZINC001343335355 1390707808 /nfs/dbraw/zinc/70/78/08/1390707808.db2.gz XCUXQZCMWHKZIE-USXIJHARSA-N 2 1 338.442 3.493 20 0 EGADMP CCC[C@H](NC(=O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1)c1ccccc1 ZINC001346016332 1390901227 /nfs/dbraw/zinc/90/12/27/1390901227.db2.gz ALCPAHASMPWGCT-IBGZPJMESA-N 2 1 343.515 3.110 20 0 EGADMP CC(C)c1noc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC001347136035 1391009050 /nfs/dbraw/zinc/00/90/50/1391009050.db2.gz DKCWTNNPZCJOTP-SJLPKXTDSA-N 2 1 342.487 3.236 20 0 EGADMP C[NH2+]C[C@H](C)C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC001348852056 1391275021 /nfs/dbraw/zinc/27/50/21/1391275021.db2.gz JCHNNWJBWOVEOZ-VBNZEHGJSA-N 2 1 341.293 3.114 20 0 EGADMP Cc1ccccc1NC(=[NH2+])NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001349910299 1391383930 /nfs/dbraw/zinc/38/39/30/1391383930.db2.gz APSHASLNACQAAG-IBGZPJMESA-N 2 1 336.483 3.496 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001350425243 1391462202 /nfs/dbraw/zinc/46/22/02/1391462202.db2.gz HKXXNIVLWUVFCF-SFHVURJKSA-N 2 1 335.536 3.164 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3ncc(C(F)(F)F)s3)C[C@H]2C1 ZINC001352113161 1391761034 /nfs/dbraw/zinc/76/10/34/1391761034.db2.gz QAOGMNMSKOFNBU-QJPTWQEYSA-N 2 1 333.423 3.324 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ncc(C(F)(F)F)s3)C[C@H]2C1 ZINC001352113161 1391761035 /nfs/dbraw/zinc/76/10/35/1391761035.db2.gz QAOGMNMSKOFNBU-QJPTWQEYSA-N 2 1 333.423 3.324 20 0 EGADMP CC[N@@H+](CCCNC(=O)c1cc2c(s1)C[NH2+]CC2)C1CCCCC1 ZINC001354179297 1392125293 /nfs/dbraw/zinc/12/52/93/1392125293.db2.gz JPIHIVRUOQSPHD-UHFFFAOYSA-N 2 1 349.544 3.168 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)C1)C1CCC1 ZINC001479905094 1392472348 /nfs/dbraw/zinc/47/23/48/1392472348.db2.gz QKPJKYNHLJBABN-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)C1)C1CCC1 ZINC001479905094 1392472354 /nfs/dbraw/zinc/47/23/54/1392472354.db2.gz QKPJKYNHLJBABN-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1)C1CCC1 ZINC001479905094 1392472356 /nfs/dbraw/zinc/47/23/56/1392472356.db2.gz QKPJKYNHLJBABN-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)Cc1ccccc1C(C)C ZINC001480951828 1393043715 /nfs/dbraw/zinc/04/37/15/1393043715.db2.gz OBXRRZKAWWFANV-FQEVSTJZSA-N 2 1 345.531 3.232 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccccc1C(C)C ZINC001480951828 1393043720 /nfs/dbraw/zinc/04/37/20/1393043720.db2.gz OBXRRZKAWWFANV-FQEVSTJZSA-N 2 1 345.531 3.232 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccccc1C(C)C ZINC001480951828 1393043721 /nfs/dbraw/zinc/04/37/21/1393043721.db2.gz OBXRRZKAWWFANV-FQEVSTJZSA-N 2 1 345.531 3.232 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1c(C)cccc1C ZINC001480973966 1393058978 /nfs/dbraw/zinc/05/89/78/1393058978.db2.gz CAECBAIBDDQHSJ-HXUWFJFHSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)Cc1c(C)cccc1C ZINC001480973966 1393058981 /nfs/dbraw/zinc/05/89/81/1393058981.db2.gz CAECBAIBDDQHSJ-HXUWFJFHSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)Cc1c(C)cccc1C ZINC001480973966 1393058985 /nfs/dbraw/zinc/05/89/85/1393058985.db2.gz CAECBAIBDDQHSJ-HXUWFJFHSA-N 2 1 345.531 3.114 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCC(C)(C)CC1)[NH+](C)C ZINC001481059619 1393109698 /nfs/dbraw/zinc/10/96/98/1393109698.db2.gz UERMZPKRLFELCE-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001481066057 1393111225 /nfs/dbraw/zinc/11/12/25/1393111225.db2.gz UISRTFNAZZYLLH-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC001481066057 1393111226 /nfs/dbraw/zinc/11/12/26/1393111226.db2.gz UISRTFNAZZYLLH-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001481231509 1393151714 /nfs/dbraw/zinc/15/17/14/1393151714.db2.gz DHKMHTAPVQLKFH-SQGPQFPESA-N 2 1 345.531 3.259 20 0 EGADMP CC[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001481286832 1393158595 /nfs/dbraw/zinc/15/85/95/1393158595.db2.gz CLHVDYKMBRTVOI-VQTJNVASSA-N 2 1 345.531 3.449 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001481412183 1394271596 /nfs/dbraw/zinc/27/15/96/1394271596.db2.gz RCQJLDVMGSMWCB-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001481412183 1394271602 /nfs/dbraw/zinc/27/16/02/1394271602.db2.gz RCQJLDVMGSMWCB-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)CCC2CCCC2)C1 ZINC001490778940 1394343017 /nfs/dbraw/zinc/34/30/17/1394343017.db2.gz YNLIOWSQIDGICQ-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H](C[N@H+](C)CCC2CCCC2)C1 ZINC001490778940 1394343023 /nfs/dbraw/zinc/34/30/23/1394343023.db2.gz YNLIOWSQIDGICQ-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H](C[N@@H+](C)CCC2CCCC2)C1 ZINC001490778940 1394343026 /nfs/dbraw/zinc/34/30/26/1394343026.db2.gz YNLIOWSQIDGICQ-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC001481520586 1394370844 /nfs/dbraw/zinc/37/08/44/1394370844.db2.gz VYJADRCAAYQZFV-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001481520586 1394370849 /nfs/dbraw/zinc/37/08/49/1394370849.db2.gz VYJADRCAAYQZFV-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001481520586 1394370856 /nfs/dbraw/zinc/37/08/56/1394370856.db2.gz VYJADRCAAYQZFV-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001481629710 1394425318 /nfs/dbraw/zinc/42/53/18/1394425318.db2.gz TVAHLGCWQKDDOW-PXNSSMCTSA-N 2 1 349.563 3.124 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CCC[NH+](CC2CCCCCC2)C1)C1CCC1 ZINC001491109951 1394431517 /nfs/dbraw/zinc/43/15/17/1394431517.db2.gz OJOJHALLMAWMQH-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@H+](CC2CCCCCC2)C1)C1CCC1 ZINC001491109951 1394431520 /nfs/dbraw/zinc/43/15/20/1394431520.db2.gz OJOJHALLMAWMQH-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1)C1CCC1 ZINC001491109951 1394431521 /nfs/dbraw/zinc/43/15/21/1394431521.db2.gz OJOJHALLMAWMQH-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001491128234 1394444166 /nfs/dbraw/zinc/44/41/66/1394444166.db2.gz KOPMQBZBDVELRX-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001491128234 1394444168 /nfs/dbraw/zinc/44/41/68/1394444168.db2.gz KOPMQBZBDVELRX-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001491128234 1394444170 /nfs/dbraw/zinc/44/41/70/1394444170.db2.gz KOPMQBZBDVELRX-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001481779678 1394525266 /nfs/dbraw/zinc/52/52/66/1394525266.db2.gz WFKUQMNGGZYQIQ-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)[C@@H](C)C1 ZINC001482433138 1394994207 /nfs/dbraw/zinc/99/42/07/1394994207.db2.gz JDESKHIKYMNGHO-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CC1CCCCC1 ZINC001482497138 1395048693 /nfs/dbraw/zinc/04/86/93/1395048693.db2.gz BSDQPSLIJIYBLN-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001483945832 1395156188 /nfs/dbraw/zinc/15/61/88/1395156188.db2.gz JCGBKEDHTYRCBX-MOPGFXCFSA-N 2 1 337.552 3.410 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+]([C@H](C)c2ccccc2)C1 ZINC001484171835 1395313127 /nfs/dbraw/zinc/31/31/27/1395313127.db2.gz APFVOPOIGIENQB-WIYYLYMNSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@]1(C)CCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001484171835 1395313132 /nfs/dbraw/zinc/31/31/32/1395313132.db2.gz APFVOPOIGIENQB-WIYYLYMNSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@]1(C)CCC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001484171835 1395313138 /nfs/dbraw/zinc/31/31/38/1395313138.db2.gz APFVOPOIGIENQB-WIYYLYMNSA-N 2 1 345.531 3.308 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001484716238 1395476804 /nfs/dbraw/zinc/47/68/04/1395476804.db2.gz GHKUQSCPWWNFGR-MOPGFXCFSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C/C=C/c2ccccc2)[C@@H](C)C1 ZINC001484982959 1395622478 /nfs/dbraw/zinc/62/24/78/1395622478.db2.gz USJRQWZREIYUAC-CSXIPAGWSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C/C=C/c2ccccc2)[C@@H](C)C1 ZINC001484982959 1395622487 /nfs/dbraw/zinc/62/24/87/1395622487.db2.gz USJRQWZREIYUAC-CSXIPAGWSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)[C@@H](C)C1 ZINC001484982959 1395622505 /nfs/dbraw/zinc/62/25/05/1395622505.db2.gz USJRQWZREIYUAC-CSXIPAGWSA-N 2 1 343.515 3.011 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]([NH2+]C(C)C)c1ccc(C(C)C)cc1 ZINC001493878669 1396344057 /nfs/dbraw/zinc/34/40/57/1396344057.db2.gz OONJZGJPOCRHPB-LJQANCHMSA-N 2 1 342.487 3.170 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001690502046 1404615260 /nfs/dbraw/zinc/61/52/60/1404615260.db2.gz SZECTEVTKRPWHQ-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001690502046 1404615262 /nfs/dbraw/zinc/61/52/62/1404615262.db2.gz SZECTEVTKRPWHQ-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC001690606397 1404649622 /nfs/dbraw/zinc/64/96/22/1404649622.db2.gz MEKORFVQUDNLPC-ZWKOTPCHSA-N 2 1 345.531 3.497 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001690815715 1404750269 /nfs/dbraw/zinc/75/02/69/1404750269.db2.gz WYYMAAUSZZFBIG-MSOLQXFVSA-N 2 1 325.541 3.076 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2cccc(CC)c2)C1 ZINC001690824282 1404760611 /nfs/dbraw/zinc/76/06/11/1404760611.db2.gz AAEOIKZBCNFEOO-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(CC)c2)C1 ZINC001690824282 1404760613 /nfs/dbraw/zinc/76/06/13/1404760613.db2.gz AAEOIKZBCNFEOO-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(CC)c2)C1 ZINC001690824282 1404760616 /nfs/dbraw/zinc/76/06/16/1404760616.db2.gz AAEOIKZBCNFEOO-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H](C)c1ccc(C(C)C)cc1 ZINC001691012100 1404928008 /nfs/dbraw/zinc/92/80/08/1404928008.db2.gz SGFFXMVUVKBWEX-XLIONFOSSA-N 2 1 345.531 3.403 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C)c1ccc(C(C)C)cc1 ZINC001691012100 1404928012 /nfs/dbraw/zinc/92/80/12/1404928012.db2.gz SGFFXMVUVKBWEX-XLIONFOSSA-N 2 1 345.531 3.403 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@H](C)c1ccc(C(C)C)cc1 ZINC001691012100 1404928015 /nfs/dbraw/zinc/92/80/15/1404928015.db2.gz SGFFXMVUVKBWEX-XLIONFOSSA-N 2 1 345.531 3.403 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H](C)c1cccc(C)c1 ZINC001691020230 1404934435 /nfs/dbraw/zinc/93/44/35/1404934435.db2.gz PZSPJBYYMQUMKV-ICSRJNTNSA-N 2 1 345.531 3.367 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@@H](C)c1cccc(C)c1 ZINC001691020230 1404934437 /nfs/dbraw/zinc/93/44/37/1404934437.db2.gz PZSPJBYYMQUMKV-ICSRJNTNSA-N 2 1 345.531 3.367 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@@H](C)c1cccc(C)c1 ZINC001691020230 1404934438 /nfs/dbraw/zinc/93/44/38/1404934438.db2.gz PZSPJBYYMQUMKV-ICSRJNTNSA-N 2 1 345.531 3.367 20 0 EGADMP CC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)c1ccccc1F ZINC001691044717 1404955334 /nfs/dbraw/zinc/95/53/34/1404955334.db2.gz DPCTXGHDOMOXGV-KRWDZBQOSA-N 2 1 349.494 3.057 20 0 EGADMP CC1CC[NH+](CC(=O)N(C)C[C@@H]2CC[N@H+]2CCCC(C)(C)C)CC1 ZINC001691670144 1405402754 /nfs/dbraw/zinc/40/27/54/1405402754.db2.gz IJNUMLGLFBGACL-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CN(C(=O)CC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001698577592 1406187678 /nfs/dbraw/zinc/18/76/78/1406187678.db2.gz QMUYHIUSVPFQAV-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@@H+](CCC2CCCCC2)C1)[NH+](C)C ZINC001698588819 1406210124 /nfs/dbraw/zinc/21/01/24/1406210124.db2.gz UNZJYPHRECGVIC-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001732101463 1428361788 /nfs/dbraw/zinc/36/17/88/1428361788.db2.gz NPELJNABSFLWRR-ROUUACIJSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+](C)CCC(=O)NC1C[NH+]([C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001732114495 1428367817 /nfs/dbraw/zinc/36/78/17/1428367817.db2.gz NRIBKYYKUIPPOB-INIZCTEOSA-N 2 1 331.504 3.013 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1C[NH+]([C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001732114495 1428367820 /nfs/dbraw/zinc/36/78/20/1428367820.db2.gz NRIBKYYKUIPPOB-INIZCTEOSA-N 2 1 331.504 3.013 20 0 EGADMP CC[C@@H]([NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCC1)c1ccccc1 ZINC001732226596 1428474990 /nfs/dbraw/zinc/47/49/90/1428474990.db2.gz AJTARPLDXZQSRI-MOPGFXCFSA-N 2 1 343.515 3.251 20 0 EGADMP CC(C)[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C1CCCCC1)CC2 ZINC001732329414 1428536392 /nfs/dbraw/zinc/53/63/92/1428536392.db2.gz GUPDDLGQMQXZRU-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[NH+]1CCC2(C1)CCN(C(=O)CC[N@H+](C)C1CCCCC1)CC2 ZINC001732329414 1428536393 /nfs/dbraw/zinc/53/63/93/1428536393.db2.gz GUPDDLGQMQXZRU-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[NH+]1CCC2(C1)CCN(C(=O)CC[N@@H+](C)C1CCCCC1)CC2 ZINC001732329414 1428536396 /nfs/dbraw/zinc/53/63/96/1428536396.db2.gz GUPDDLGQMQXZRU-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001699684691 1413081289 /nfs/dbraw/zinc/08/12/89/1413081289.db2.gz YSYRTDMWCGLBKY-SXLOBPIMSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001699684691 1413081296 /nfs/dbraw/zinc/08/12/96/1413081296.db2.gz YSYRTDMWCGLBKY-SXLOBPIMSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C1CCC1 ZINC001699684691 1413081297 /nfs/dbraw/zinc/08/12/97/1413081297.db2.gz YSYRTDMWCGLBKY-SXLOBPIMSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@]3(CC[NH+](CCCC(C)(C)C)C3)C2)C1 ZINC001699702063 1413115633 /nfs/dbraw/zinc/11/56/33/1413115633.db2.gz QDLRDDJAUIUDKK-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@@]3(CC[N@H+](CCCC(C)(C)C)C3)C2)C1 ZINC001699702063 1413115636 /nfs/dbraw/zinc/11/56/36/1413115636.db2.gz QDLRDDJAUIUDKK-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CC[C@@]3(CC[N@@H+](CCCC(C)(C)C)C3)C2)C1 ZINC001699702063 1413115640 /nfs/dbraw/zinc/11/56/40/1413115640.db2.gz QDLRDDJAUIUDKK-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1(C)CC[NH+](CCC2CCCC2)CC1 ZINC001699863752 1413299519 /nfs/dbraw/zinc/29/95/19/1413299519.db2.gz IRVBATKITZPPMN-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CC(C)C[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001732547934 1428725366 /nfs/dbraw/zinc/72/53/66/1428725366.db2.gz PJQHVFQCIWHTOM-LJQANCHMSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001732547934 1428725374 /nfs/dbraw/zinc/72/53/74/1428725374.db2.gz PJQHVFQCIWHTOM-LJQANCHMSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001732547934 1428725378 /nfs/dbraw/zinc/72/53/78/1428725378.db2.gz PJQHVFQCIWHTOM-LJQANCHMSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001699974594 1413413411 /nfs/dbraw/zinc/41/34/11/1413413411.db2.gz VIWQMRNEYBVPCV-UHZRXMQZSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001699974594 1413413412 /nfs/dbraw/zinc/41/34/12/1413413412.db2.gz VIWQMRNEYBVPCV-UHZRXMQZSA-N 2 1 349.563 3.122 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CCCC2CCC2)CC1 ZINC001699982825 1413429611 /nfs/dbraw/zinc/42/96/11/1413429611.db2.gz MAGHMOJWENDUJD-VAMGGRTRSA-N 2 1 349.563 3.173 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1)C1CCC1 ZINC001700101831 1413519685 /nfs/dbraw/zinc/51/96/85/1413519685.db2.gz SYGNPNUJPUXXOC-WGSAOQKQSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+](CC(C)C)C1 ZINC001700197453 1413638917 /nfs/dbraw/zinc/63/89/17/1413638917.db2.gz KPUXHELCFAXGHX-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001700197453 1413638919 /nfs/dbraw/zinc/63/89/19/1413638919.db2.gz KPUXHELCFAXGHX-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001700197453 1413638922 /nfs/dbraw/zinc/63/89/22/1413638922.db2.gz KPUXHELCFAXGHX-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001700478492 1414110234 /nfs/dbraw/zinc/11/02/34/1414110234.db2.gz QBRWMYHIGPPUOF-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP C[C@@H]1[C@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@H+]1CCC1CCCC1 ZINC001700889005 1414548202 /nfs/dbraw/zinc/54/82/02/1414548202.db2.gz SBXCLNOPEGEWHB-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001732597056 1428837184 /nfs/dbraw/zinc/83/71/84/1428837184.db2.gz FOGAELDURJXAGC-IBGZPJMESA-N 2 1 345.531 3.322 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001732703715 1428917033 /nfs/dbraw/zinc/91/70/33/1428917033.db2.gz YVHMBWDBZSFYLS-IAGOWNOFSA-N 2 1 331.504 3.025 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001713086027 1417632207 /nfs/dbraw/zinc/63/22/07/1417632207.db2.gz UKXBPSIVKSWILV-IBGZPJMESA-N 2 1 345.531 3.016 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001713222124 1417806915 /nfs/dbraw/zinc/80/69/15/1417806915.db2.gz XCELZBSPTWVYMO-OALUTQOASA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001713222124 1417806921 /nfs/dbraw/zinc/80/69/21/1417806921.db2.gz XCELZBSPTWVYMO-OALUTQOASA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001713222124 1417806926 /nfs/dbraw/zinc/80/69/26/1417806926.db2.gz XCELZBSPTWVYMO-OALUTQOASA-N 2 1 345.531 3.308 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CCCC[NH+]1CCCC(C)(C)C)C1CCC1 ZINC001713253071 1417846795 /nfs/dbraw/zinc/84/67/95/1417846795.db2.gz MCGCPPZHWBYFCZ-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCC[N@@H+]1CCCC(C)(C)C)C1CCC1 ZINC001713253071 1417846798 /nfs/dbraw/zinc/84/67/98/1417846798.db2.gz MCGCPPZHWBYFCZ-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCC[N@H+]1CCCC(C)(C)C)C1CCC1 ZINC001713253071 1417846801 /nfs/dbraw/zinc/84/68/01/1417846801.db2.gz MCGCPPZHWBYFCZ-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](C[N@@H+](C)C/C=C/c1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001733067600 1429222078 /nfs/dbraw/zinc/22/20/78/1429222078.db2.gz QULVGTLEINQENU-DLENHJPASA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H](C[N@@H+](C)C/C=C\c1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001733067599 1429222110 /nfs/dbraw/zinc/22/21/10/1429222110.db2.gz QULVGTLEINQENU-ADYPVZHUSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](CC)c1ccccc1 ZINC001713454186 1418103845 /nfs/dbraw/zinc/10/38/45/1418103845.db2.gz CYQGFFAYSAONCH-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)[C@@H](CC)c1ccccc1 ZINC001713454186 1418103849 /nfs/dbraw/zinc/10/38/49/1418103849.db2.gz CYQGFFAYSAONCH-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)[C@@H](CC)c1ccccc1 ZINC001713454186 1418103856 /nfs/dbraw/zinc/10/38/56/1418103856.db2.gz CYQGFFAYSAONCH-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CCC1CCCCCC1 ZINC001713487288 1418182467 /nfs/dbraw/zinc/18/24/67/1418182467.db2.gz NQCKZTVIOKHCJB-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)CCC1CCCCCC1 ZINC001713487288 1418182468 /nfs/dbraw/zinc/18/24/68/1418182468.db2.gz NQCKZTVIOKHCJB-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)CCC1CCCCCC1 ZINC001713487288 1418182469 /nfs/dbraw/zinc/18/24/69/1418182469.db2.gz NQCKZTVIOKHCJB-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C(C)C)CC1CCCCC1 ZINC001713493170 1418194774 /nfs/dbraw/zinc/19/47/74/1418194774.db2.gz ALTOQENVFFNKGM-UHFFFAOYSA-N 2 1 334.508 3.025 20 0 EGADMP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C(C)C)CC1CCCCC1 ZINC001713493170 1418194777 /nfs/dbraw/zinc/19/47/77/1418194777.db2.gz ALTOQENVFFNKGM-UHFFFAOYSA-N 2 1 334.508 3.025 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@H](CCNC(=O)CCC[NH+](C)C)C2)c1 ZINC001713735927 1418529563 /nfs/dbraw/zinc/52/95/63/1418529563.db2.gz ZOQJGWTZABHUCU-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CCCC[NH+]1CCC(N(C)C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001713785248 1418602013 /nfs/dbraw/zinc/60/20/13/1418602013.db2.gz APYXURVIIAROTH-HXUWFJFHSA-N 2 1 345.531 3.402 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccc(F)cc1 ZINC001713959952 1418741186 /nfs/dbraw/zinc/74/11/86/1418741186.db2.gz ZQQGQDUVNLQWGF-ZTFGCOKTSA-N 2 1 349.494 3.101 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001714048443 1418845875 /nfs/dbraw/zinc/84/58/75/1418845875.db2.gz BNJANSORAJARAT-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001714048443 1418845878 /nfs/dbraw/zinc/84/58/78/1418845878.db2.gz BNJANSORAJARAT-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001714048443 1418845879 /nfs/dbraw/zinc/84/58/79/1418845879.db2.gz BNJANSORAJARAT-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C)cc2C)CC1 ZINC001714313687 1419094550 /nfs/dbraw/zinc/09/45/50/1419094550.db2.gz OLRRXSYRQKJFRH-MXVIHJGJSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001714318451 1419097389 /nfs/dbraw/zinc/09/73/89/1419097389.db2.gz ZDGSCEXZOZZZAN-XLIONFOSSA-N 2 1 345.531 3.169 20 0 EGADMP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC001714323879 1419102506 /nfs/dbraw/zinc/10/25/06/1419102506.db2.gz SPEJSRXCASLGEN-HXUWFJFHSA-N 2 1 339.483 3.104 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCCC1 ZINC001714495203 1419219012 /nfs/dbraw/zinc/21/90/12/1419219012.db2.gz FTGWPXPMEIYBQL-ACBHZAAOSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2([NH2+]CC3CC(C)C3)CCCC2)C1 ZINC001714501684 1419227662 /nfs/dbraw/zinc/22/76/62/1419227662.db2.gz OIMLVKMLURYGJD-ACBHZAAOSA-N 2 1 349.563 3.173 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001714812707 1419523815 /nfs/dbraw/zinc/52/38/15/1419523815.db2.gz DMPYHQQLPXDDLC-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001714863708 1419588847 /nfs/dbraw/zinc/58/88/47/1419588847.db2.gz VEYHRZRVRFLLPW-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)CC[N@H+](C)CC)[C@@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001714863708 1419588857 /nfs/dbraw/zinc/58/88/57/1419588857.db2.gz VEYHRZRVRFLLPW-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001714863708 1419588861 /nfs/dbraw/zinc/58/88/61/1419588861.db2.gz VEYHRZRVRFLLPW-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715020856 1419751934 /nfs/dbraw/zinc/75/19/34/1419751934.db2.gz MNNLDULRFAPBNO-MJGOQNOKSA-N 2 1 343.515 3.073 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001715020856 1419751936 /nfs/dbraw/zinc/75/19/36/1419751936.db2.gz MNNLDULRFAPBNO-MJGOQNOKSA-N 2 1 343.515 3.073 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001715020856 1419751938 /nfs/dbraw/zinc/75/19/38/1419751938.db2.gz MNNLDULRFAPBNO-MJGOQNOKSA-N 2 1 343.515 3.073 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001715023848 1419755213 /nfs/dbraw/zinc/75/52/13/1419755213.db2.gz GUQCZHMBBSQEFU-MOPGFXCFSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001715023848 1419755214 /nfs/dbraw/zinc/75/52/14/1419755214.db2.gz GUQCZHMBBSQEFU-MOPGFXCFSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001715023848 1419755215 /nfs/dbraw/zinc/75/52/15/1419755215.db2.gz GUQCZHMBBSQEFU-MOPGFXCFSA-N 2 1 349.494 3.151 20 0 EGADMP CCc1ccc(C[N@@H+]2CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C2)cc1 ZINC001715043611 1419782854 /nfs/dbraw/zinc/78/28/54/1419782854.db2.gz FONAGTFOUUINLC-UXHICEINSA-N 2 1 345.531 3.012 20 0 EGADMP CC(C)c1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001715337740 1420041743 /nfs/dbraw/zinc/04/17/43/1420041743.db2.gz DJKXKQLLLRENNI-PXNSSMCTSA-N 2 1 345.531 3.231 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCCC2)CC1 ZINC001733245099 1429390628 /nfs/dbraw/zinc/39/06/28/1429390628.db2.gz GXNXIZPHDQVRBS-GOSISDBHSA-N 2 1 335.536 3.068 20 0 EGADMP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)[C@H](C)c1ccccc1Cl ZINC001715534427 1420227439 /nfs/dbraw/zinc/22/74/39/1420227439.db2.gz MDVLDLYYODDZNO-OAHLLOKOSA-N 2 1 339.911 3.133 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)[C@H](C)c1ccccc1Cl ZINC001715534427 1420227442 /nfs/dbraw/zinc/22/74/42/1420227442.db2.gz MDVLDLYYODDZNO-OAHLLOKOSA-N 2 1 339.911 3.133 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)[C@H](C)c1ccccc1Cl ZINC001715534427 1420227449 /nfs/dbraw/zinc/22/74/49/1420227449.db2.gz MDVLDLYYODDZNO-OAHLLOKOSA-N 2 1 339.911 3.133 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC001715534427 1420227450 /nfs/dbraw/zinc/22/74/50/1420227450.db2.gz MDVLDLYYODDZNO-OAHLLOKOSA-N 2 1 339.911 3.133 20 0 EGADMP C[C@H](c1ccccc1F)[N@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001715959849 1420426073 /nfs/dbraw/zinc/42/60/73/1420426073.db2.gz YHVSKVSMAUOMMW-MRXNPFEDSA-N 2 1 349.494 3.009 20 0 EGADMP C[C@H](c1ccccc1F)[N@@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001715959849 1420426074 /nfs/dbraw/zinc/42/60/74/1420426074.db2.gz YHVSKVSMAUOMMW-MRXNPFEDSA-N 2 1 349.494 3.009 20 0 EGADMP CN(CC[N@@H+](C)CC1CCCCCC1)C(=O)CCC[NH+]1CCCC1 ZINC001716016040 1420469662 /nfs/dbraw/zinc/46/96/62/1420469662.db2.gz XUWNQNMWUWYYKM-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[N@H+](C)CC1CCCCCC1 ZINC001716045687 1420509213 /nfs/dbraw/zinc/50/92/13/1420509213.db2.gz KNEVAVMCIXQJBI-QGZVFWFLSA-N 2 1 348.535 3.379 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[N@@H+](C)CC1CCCCCC1 ZINC001716045687 1420509214 /nfs/dbraw/zinc/50/92/14/1420509214.db2.gz KNEVAVMCIXQJBI-QGZVFWFLSA-N 2 1 348.535 3.379 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001716219939 1420570580 /nfs/dbraw/zinc/57/05/80/1420570580.db2.gz HQZNKLNZXGPVHN-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)CCCC2CCC2)CC1 ZINC001716501866 1420729245 /nfs/dbraw/zinc/72/92/45/1420729245.db2.gz JBDQVAUGEHODPQ-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001733275170 1429437724 /nfs/dbraw/zinc/43/77/24/1429437724.db2.gz ZCLPQHAMPWAFQQ-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NC[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001716672292 1420829022 /nfs/dbraw/zinc/82/90/22/1420829022.db2.gz ZIFAWVNCWIRVPC-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP CCC(CC)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001717001036 1421071352 /nfs/dbraw/zinc/07/13/52/1421071352.db2.gz LSHXNOCZZSPNPF-FHWLQOOXSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001717197394 1421163987 /nfs/dbraw/zinc/16/39/87/1421163987.db2.gz YCWRGVPJAGMSDW-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001717197394 1421163989 /nfs/dbraw/zinc/16/39/89/1421163989.db2.gz YCWRGVPJAGMSDW-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001717197394 1421163992 /nfs/dbraw/zinc/16/39/92/1421163992.db2.gz YCWRGVPJAGMSDW-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](C(=O)N(C)CCC[N@@H+](C)CC1CC(C)C1)[NH+]1CCCCCC1 ZINC001717212760 1421187525 /nfs/dbraw/zinc/18/75/25/1421187525.db2.gz MJHSKWIANWYRPP-JLAWEPINSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@H+]1CCC1CC1 ZINC001717333639 1421269643 /nfs/dbraw/zinc/26/96/43/1421269643.db2.gz KDBIVZJULCTXIZ-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[NH+]1CCC1CC1 ZINC001717333639 1421269645 /nfs/dbraw/zinc/26/96/45/1421269645.db2.gz KDBIVZJULCTXIZ-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[NH+]1CCC1CC1 ZINC001717333639 1421269648 /nfs/dbraw/zinc/26/96/48/1421269648.db2.gz KDBIVZJULCTXIZ-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](c1ccc2c(c1)CCC2)[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001717485313 1421421144 /nfs/dbraw/zinc/42/11/44/1421421144.db2.gz JVRCIPDDRDZSGZ-DLBZAZTESA-N 2 1 345.531 3.015 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2CC)[C@H]1C ZINC001717860196 1421672737 /nfs/dbraw/zinc/67/27/37/1421672737.db2.gz IERBHYXZMHHZMS-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2CC)[C@H]1C ZINC001717860196 1421672739 /nfs/dbraw/zinc/67/27/39/1421672739.db2.gz IERBHYXZMHHZMS-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2CC)[C@H]1C ZINC001717860196 1421672743 /nfs/dbraw/zinc/67/27/43/1421672743.db2.gz IERBHYXZMHHZMS-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccc(C)cc1C)C(C)(C)C ZINC001717970138 1421742050 /nfs/dbraw/zinc/74/20/50/1421742050.db2.gz KCOVXIYKZKAZDP-IBGZPJMESA-N 2 1 347.547 3.266 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)C[C@@H]1C ZINC001733336231 1429521196 /nfs/dbraw/zinc/52/11/96/1429521196.db2.gz RRFANMORXBIKAJ-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1CCCC1)C1CCCC1 ZINC001733378574 1429561987 /nfs/dbraw/zinc/56/19/87/1429561987.db2.gz AYFUKYADIVJHTH-UXHICEINSA-N 2 1 349.563 3.316 20 0 EGADMP CCCC[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001724321901 1424807155 /nfs/dbraw/zinc/80/71/55/1424807155.db2.gz MUGFDCPSXNJBPV-FQEVSTJZSA-N 2 1 337.552 3.269 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001724329032 1424817433 /nfs/dbraw/zinc/81/74/33/1424817433.db2.gz CJZLYKCBKNUJSU-NQIIRXRSSA-N 2 1 345.531 3.308 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001724864398 1425247147 /nfs/dbraw/zinc/24/71/47/1425247147.db2.gz SXMRGFDWVRTRQY-OALUTQOASA-N 2 1 337.552 3.079 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)C1CCC([NH2+]CCC2CC2)CC1 ZINC001725136839 1425611788 /nfs/dbraw/zinc/61/17/88/1425611788.db2.gz KOMRZYSNFUZTQH-UHFFFAOYSA-N 2 1 346.519 3.131 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2CC)C[C@H]1C ZINC001725582120 1426237562 /nfs/dbraw/zinc/23/75/62/1426237562.db2.gz CLODJJJHBYOCSS-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001731350537 1427288852 /nfs/dbraw/zinc/28/88/52/1427288852.db2.gz IGLXYNASXGCXOV-INIZCTEOSA-N 2 1 346.519 3.091 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001731354480 1427294288 /nfs/dbraw/zinc/29/42/88/1427294288.db2.gz GQCJQVWNMITEIH-ZWKOTPCHSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001731354480 1427294291 /nfs/dbraw/zinc/29/42/91/1427294291.db2.gz GQCJQVWNMITEIH-ZWKOTPCHSA-N 2 1 348.535 3.269 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCCC1 ZINC001731541093 1427548184 /nfs/dbraw/zinc/54/81/84/1427548184.db2.gz GYXLQSFZIXCAEN-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCCC1 ZINC001731541093 1427548197 /nfs/dbraw/zinc/54/81/97/1427548197.db2.gz GYXLQSFZIXCAEN-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001731561910 1427599003 /nfs/dbraw/zinc/59/90/03/1427599003.db2.gz OOGVBZQVUDVMJC-SJLPKXTDSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001731561910 1427599006 /nfs/dbraw/zinc/59/90/06/1427599006.db2.gz OOGVBZQVUDVMJC-SJLPKXTDSA-N 2 1 348.535 3.235 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2ccccc2C)C1 ZINC001731721738 1427792478 /nfs/dbraw/zinc/79/24/78/1427792478.db2.gz YTTJEPZHIABQFP-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2C)C1 ZINC001731721738 1427792482 /nfs/dbraw/zinc/79/24/82/1427792482.db2.gz YTTJEPZHIABQFP-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2C)C1 ZINC001731721738 1427792487 /nfs/dbraw/zinc/79/24/87/1427792487.db2.gz YTTJEPZHIABQFP-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP C[C@H](CCNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001731729193 1427804234 /nfs/dbraw/zinc/80/42/34/1427804234.db2.gz MUFZFUCNKAJNLY-MRXNPFEDSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC1CCCCCC1)C1CC1 ZINC001731876087 1428139681 /nfs/dbraw/zinc/13/96/81/1428139681.db2.gz ZGHYRHJWMZHNHA-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC1CCCCCC1)C1CC1 ZINC001731876087 1428139683 /nfs/dbraw/zinc/13/96/83/1428139683.db2.gz ZGHYRHJWMZHNHA-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC1CCCCCC1)C1CC1 ZINC001731876087 1428139685 /nfs/dbraw/zinc/13/96/85/1428139685.db2.gz ZGHYRHJWMZHNHA-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP O=C(NCC1([NH2+]CC2CCC2)CCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001733722085 1429944111 /nfs/dbraw/zinc/94/41/11/1429944111.db2.gz OFMGHHCCVRUQKG-IBGZPJMESA-N 2 1 347.547 3.212 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC2CCCCCC2)[C@@H](C)C1 ZINC001733857371 1437689363 /nfs/dbraw/zinc/68/93/63/1437689363.db2.gz JJQDGURXSGVDNP-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CC1CCCCCC1 ZINC001733897144 1437714326 /nfs/dbraw/zinc/71/43/26/1437714326.db2.gz CFCDHFXIDYRKDG-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001733918466 1437731457 /nfs/dbraw/zinc/73/14/57/1437731457.db2.gz PALVEKKAKNCCJP-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001733918466 1437731460 /nfs/dbraw/zinc/73/14/60/1437731460.db2.gz PALVEKKAKNCCJP-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001733918466 1437731461 /nfs/dbraw/zinc/73/14/61/1437731461.db2.gz PALVEKKAKNCCJP-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP C[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)CCCC(C)(C)C ZINC001752040572 1440134797 /nfs/dbraw/zinc/13/47/97/1440134797.db2.gz XKMHSCQEUXVAJL-UHFFFAOYSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1CCCC1 ZINC001752157423 1440147529 /nfs/dbraw/zinc/14/75/29/1440147529.db2.gz QBFNWTIHDLKLPD-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H](C)c1cc(C)ccc1C ZINC001752232160 1440158672 /nfs/dbraw/zinc/15/86/72/1440158672.db2.gz WCKSYRLONOFZRX-RTBURBONSA-N 2 1 345.531 3.144 20 0 EGADMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H](C)c1cc(C)ccc1C ZINC001752232160 1440158674 /nfs/dbraw/zinc/15/86/74/1440158674.db2.gz WCKSYRLONOFZRX-RTBURBONSA-N 2 1 345.531 3.144 20 0 EGADMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](C)c1cc(C)ccc1C ZINC001752232160 1440158675 /nfs/dbraw/zinc/15/86/75/1440158675.db2.gz WCKSYRLONOFZRX-RTBURBONSA-N 2 1 345.531 3.144 20 0 EGADMP O=C(NCCC[N@@H+](CC1=CCCCC1)C1CC1)C12CCC[NH+]1CCC2 ZINC001752266887 1440162845 /nfs/dbraw/zinc/16/28/45/1440162845.db2.gz PXOMHSADFISORR-UHFFFAOYSA-N 2 1 345.531 3.086 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1)C1CCCCC1 ZINC001752394502 1440173577 /nfs/dbraw/zinc/17/35/77/1440173577.db2.gz ZMVNGLNOLDBEOZ-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1)C1CCCCC1 ZINC001752394502 1440173578 /nfs/dbraw/zinc/17/35/78/1440173578.db2.gz ZMVNGLNOLDBEOZ-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)C1CCCCC1 ZINC001752394502 1440173579 /nfs/dbraw/zinc/17/35/79/1440173579.db2.gz ZMVNGLNOLDBEOZ-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001752428478 1440177739 /nfs/dbraw/zinc/17/77/39/1440177739.db2.gz ZPAIXHZSOKKENH-IRXDYDNUSA-N 2 1 346.519 3.167 20 0 EGADMP CC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001752432595 1440178843 /nfs/dbraw/zinc/17/88/43/1440178843.db2.gz VPYKARVFVJXJLI-WYNBNGFRSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]([NH2+]CC2CCCCCC2)C2CC2)CC[N@H+]1C ZINC001752479288 1440185153 /nfs/dbraw/zinc/18/51/53/1440185153.db2.gz DNWDRGPNGHQLAY-FFZOFVMBSA-N 2 1 349.563 3.172 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001752517978 1440191832 /nfs/dbraw/zinc/19/18/32/1440191832.db2.gz KYMMTYOZRYZKRZ-OTWHNJEPSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001752517978 1440191833 /nfs/dbraw/zinc/19/18/33/1440191833.db2.gz KYMMTYOZRYZKRZ-OTWHNJEPSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001752517978 1440191834 /nfs/dbraw/zinc/19/18/34/1440191834.db2.gz KYMMTYOZRYZKRZ-OTWHNJEPSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001752679626 1440199338 /nfs/dbraw/zinc/19/93/38/1440199338.db2.gz APILNSUMABQIQR-FHWLQOOXSA-N 2 1 345.531 3.333 20 0 EGADMP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001752733193 1440204257 /nfs/dbraw/zinc/20/42/57/1440204257.db2.gz MRHCXWJUEVLXJY-ZIFCJYIRSA-N 2 1 335.536 3.066 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CCCC[N@@H+]1CCC1CC1 ZINC001752818978 1440219580 /nfs/dbraw/zinc/21/95/80/1440219580.db2.gz MQWRHJSDDGWMJA-SJLPKXTDSA-N 2 1 346.519 3.167 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CCCC[N@H+]1CCC1CC1 ZINC001752818978 1440219581 /nfs/dbraw/zinc/21/95/81/1440219581.db2.gz MQWRHJSDDGWMJA-SJLPKXTDSA-N 2 1 346.519 3.167 20 0 EGADMP C[N@@H+](CCC(=O)NC[C@@H]1CCCC[NH+]1CC1CCC1)C1CCCCC1 ZINC001752827696 1440224310 /nfs/dbraw/zinc/22/43/10/1440224310.db2.gz NUDQSKHDIUTIKR-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCC1)C1CCCCC1 ZINC001752827696 1440224311 /nfs/dbraw/zinc/22/43/11/1440224311.db2.gz NUDQSKHDIUTIKR-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)NC[C@@H]1CCCC[N@H+]1CC1CCC1)C1CCCCC1 ZINC001752827696 1440224312 /nfs/dbraw/zinc/22/43/12/1440224312.db2.gz NUDQSKHDIUTIKR-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC001752833533 1440226619 /nfs/dbraw/zinc/22/66/19/1440226619.db2.gz HDXIQRGSTDYLSV-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001752836916 1440228337 /nfs/dbraw/zinc/22/83/37/1440228337.db2.gz PYXOMBOHDCLGLK-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001752842011 1440231251 /nfs/dbraw/zinc/23/12/51/1440231251.db2.gz UGXLLOCVWOMJGX-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001752854991 1440234576 /nfs/dbraw/zinc/23/45/76/1440234576.db2.gz DCGHRWUQVZJIJV-UHFFFAOYSA-N 2 1 337.552 3.314 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001752993112 1440260429 /nfs/dbraw/zinc/26/04/29/1440260429.db2.gz ARIIBEDFYXEFRC-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001752993112 1440260430 /nfs/dbraw/zinc/26/04/30/1440260430.db2.gz ARIIBEDFYXEFRC-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001752993112 1440260431 /nfs/dbraw/zinc/26/04/31/1440260431.db2.gz ARIIBEDFYXEFRC-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001752996596 1440262306 /nfs/dbraw/zinc/26/23/06/1440262306.db2.gz GWEZHDPGOVLUSA-QUCCMNQESA-N 2 1 345.531 3.402 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001752996465 1440262323 /nfs/dbraw/zinc/26/23/23/1440262323.db2.gz DFFBCKPGONAALU-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001752996465 1440262324 /nfs/dbraw/zinc/26/23/24/1440262324.db2.gz DFFBCKPGONAALU-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001752996465 1440262325 /nfs/dbraw/zinc/26/23/25/1440262325.db2.gz DFFBCKPGONAALU-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001752998859 1440263567 /nfs/dbraw/zinc/26/35/67/1440263567.db2.gz OAMULJFIKKZESL-RTBURBONSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001752998859 1440263568 /nfs/dbraw/zinc/26/35/68/1440263568.db2.gz OAMULJFIKKZESL-RTBURBONSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001752998859 1440263569 /nfs/dbraw/zinc/26/35/69/1440263569.db2.gz OAMULJFIKKZESL-RTBURBONSA-N 2 1 335.536 3.138 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001753020311 1440269788 /nfs/dbraw/zinc/26/97/88/1440269788.db2.gz JLJXBYSFECYKLC-UYAOXDASSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccsc1)[NH+]1CCCCCC1 ZINC001753112505 1440309358 /nfs/dbraw/zinc/30/93/58/1440309358.db2.gz FBWHQNZRASCFRD-SJLPKXTDSA-N 2 1 349.544 3.093 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@H](C)c1cccc(F)c1 ZINC001753116794 1440311929 /nfs/dbraw/zinc/31/19/29/1440311929.db2.gz OUJGMCKBWYBYCF-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)c1cccc(F)c1 ZINC001753116794 1440311930 /nfs/dbraw/zinc/31/19/30/1440311930.db2.gz OUJGMCKBWYBYCF-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)c1cccc(F)c1 ZINC001753116794 1440311931 /nfs/dbraw/zinc/31/19/31/1440311931.db2.gz OUJGMCKBWYBYCF-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1cccc(F)c1 ZINC001753143417 1440322935 /nfs/dbraw/zinc/32/29/35/1440322935.db2.gz RKNHCYBWOCRGBW-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)Cc1cccc(F)c1 ZINC001753143417 1440322936 /nfs/dbraw/zinc/32/29/36/1440322936.db2.gz RKNHCYBWOCRGBW-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)Cc1cccc(F)c1 ZINC001753143417 1440322937 /nfs/dbraw/zinc/32/29/37/1440322937.db2.gz RKNHCYBWOCRGBW-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CC1CCC1 ZINC001753146945 1440325055 /nfs/dbraw/zinc/32/50/55/1440325055.db2.gz NGKGEMFXVXWQPN-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)CC1CCC1 ZINC001753146945 1440325056 /nfs/dbraw/zinc/32/50/56/1440325056.db2.gz NGKGEMFXVXWQPN-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)CC1CCC1 ZINC001753146945 1440325057 /nfs/dbraw/zinc/32/50/57/1440325057.db2.gz NGKGEMFXVXWQPN-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@@H](C)c1ccccc1C ZINC001753147360 1440325392 /nfs/dbraw/zinc/32/53/92/1440325392.db2.gz ANFIXLQAKMYRQQ-MJGOQNOKSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@@H](C)c1ccccc1C ZINC001753147360 1440325393 /nfs/dbraw/zinc/32/53/93/1440325393.db2.gz ANFIXLQAKMYRQQ-MJGOQNOKSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[C@@H](C)c1ccccc1C ZINC001753147360 1440325394 /nfs/dbraw/zinc/32/53/94/1440325394.db2.gz ANFIXLQAKMYRQQ-MJGOQNOKSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC1CC2(CCC2)C1 ZINC001753149657 1440326903 /nfs/dbraw/zinc/32/69/03/1440326903.db2.gz KDJPSEKSNJVRHY-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001753155132 1440330293 /nfs/dbraw/zinc/33/02/93/1440330293.db2.gz BOAPQPKICOIRPH-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CN(CC[NH2+]CC1CC(C)(C)C1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001753189777 1440337511 /nfs/dbraw/zinc/33/75/11/1440337511.db2.gz QZOQMJMNMWDBAZ-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CN(CC[NH2+]Cc1ccsc1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001753223078 1440340239 /nfs/dbraw/zinc/34/02/39/1440340239.db2.gz XAJIHRSZWCXVGZ-SFHVURJKSA-N 2 1 349.544 3.093 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC1CCC1 ZINC001753293039 1440351031 /nfs/dbraw/zinc/35/10/31/1440351031.db2.gz VNDBGQASMKFKJQ-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC)c1ccc(C(C)C)cc1 ZINC001753294500 1440351620 /nfs/dbraw/zinc/35/16/20/1440351620.db2.gz OARQMIZYECLNOM-PMACEKPBSA-N 2 1 345.531 3.451 20 0 EGADMP CC(C)[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC001753299080 1440353409 /nfs/dbraw/zinc/35/34/09/1440353409.db2.gz SCFWARKWNAIEDE-UXHICEINSA-N 2 1 343.515 3.249 20 0 EGADMP CCCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001753319418 1440362058 /nfs/dbraw/zinc/36/20/58/1440362058.db2.gz DSHJKZWHWJXRAU-IBGZPJMESA-N 2 1 335.536 3.142 20 0 EGADMP CCCN(C(=O)CC[N@H+](C)CC)[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001753319418 1440362059 /nfs/dbraw/zinc/36/20/59/1440362059.db2.gz DSHJKZWHWJXRAU-IBGZPJMESA-N 2 1 335.536 3.142 20 0 EGADMP CCCN(C(=O)CC[N@@H+](C)CC)[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001753319418 1440362060 /nfs/dbraw/zinc/36/20/60/1440362060.db2.gz DSHJKZWHWJXRAU-IBGZPJMESA-N 2 1 335.536 3.142 20 0 EGADMP CCCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001753326192 1440366890 /nfs/dbraw/zinc/36/68/90/1440366890.db2.gz GIHOTXMTNNXNJE-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001753331595 1440369782 /nfs/dbraw/zinc/36/97/82/1440369782.db2.gz WYTKDHBZRJMLCY-SFHVURJKSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001753334209 1440371392 /nfs/dbraw/zinc/37/13/92/1440371392.db2.gz DKXQSYHLSYERAN-GOSISDBHSA-N 2 1 345.531 3.090 20 0 EGADMP C[N@@H+](CCC1=CCCCC1)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001753350959 1440377956 /nfs/dbraw/zinc/37/79/56/1440377956.db2.gz BMAAKWNYEKTBHV-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CCC1=CCCCC1)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001753350959 1440377957 /nfs/dbraw/zinc/37/79/57/1440377957.db2.gz BMAAKWNYEKTBHV-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CCC1=CCCCC1)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001753350959 1440377958 /nfs/dbraw/zinc/37/79/58/1440377958.db2.gz BMAAKWNYEKTBHV-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP C[N@@H+](CCC1CCCC1)C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001753358804 1440381638 /nfs/dbraw/zinc/38/16/38/1440381638.db2.gz BOWGZZNQRNIUKN-HXUWFJFHSA-N 2 1 349.563 3.223 20 0 EGADMP CC/C=C/CC[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001753436196 1440399961 /nfs/dbraw/zinc/39/99/61/1440399961.db2.gz GTUPUUHRDZCRGN-DKRLNXSXSA-N 2 1 349.544 3.312 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001753436196 1440399962 /nfs/dbraw/zinc/39/99/62/1440399962.db2.gz GTUPUUHRDZCRGN-DKRLNXSXSA-N 2 1 349.544 3.312 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001753586492 1440441428 /nfs/dbraw/zinc/44/14/28/1440441428.db2.gz QODXYUXNXWPADZ-SZMVWBNQSA-N 2 1 346.519 3.186 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001753586824 1440441505 /nfs/dbraw/zinc/44/15/05/1440441505.db2.gz CXRQRUOLFOSQFD-OISZBXDOSA-N 2 1 335.536 3.092 20 0 EGADMP CC(C)=CC[NH+]1CCC(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001753594857 1440444141 /nfs/dbraw/zinc/44/41/41/1440444141.db2.gz MDRJKXHXPGNXGC-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC(C)(C)C ZINC001753632112 1440452327 /nfs/dbraw/zinc/45/23/27/1440452327.db2.gz HLUPBVGGNZTAII-IRXDYDNUSA-N 2 1 325.541 3.027 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CC2CCC3(CC3)CC2)CCCC1 ZINC001753671556 1440462288 /nfs/dbraw/zinc/46/22/88/1440462288.db2.gz SPBGFRGSPZBOEV-UHFFFAOYSA-N 2 1 349.563 3.317 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC2(C[NH+](CC3CCC3)C2)CC1 ZINC001753676632 1440463472 /nfs/dbraw/zinc/46/34/72/1440463472.db2.gz ANOZDPHIXFZWNI-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001753729680 1440475399 /nfs/dbraw/zinc/47/53/99/1440475399.db2.gz PGLSBVPJPDNHMH-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP Cc1cc(C)cc(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001753734203 1440477171 /nfs/dbraw/zinc/47/71/71/1440477171.db2.gz WKQMDOYWIXHXNU-UXHICEINSA-N 2 1 345.531 3.018 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CCC2CC2)C2CCCCC2)CC[N@H+]1C ZINC001753746187 1440481039 /nfs/dbraw/zinc/48/10/39/1440481039.db2.gz PSMOLYZKFIYBLP-XUVXKRRUSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001753799135 1440490518 /nfs/dbraw/zinc/49/05/18/1440490518.db2.gz ZRUXWGURXWMAOD-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC2CCCCC2)C1 ZINC001753801204 1440490886 /nfs/dbraw/zinc/49/08/86/1440490886.db2.gz KRTRLDCOBAFJAB-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001753823653 1440497325 /nfs/dbraw/zinc/49/73/25/1440497325.db2.gz MOKNTWGDGQHBKO-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001753823653 1440497326 /nfs/dbraw/zinc/49/73/26/1440497326.db2.gz MOKNTWGDGQHBKO-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001753823653 1440497327 /nfs/dbraw/zinc/49/73/27/1440497327.db2.gz MOKNTWGDGQHBKO-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[NH2+]CC1=CCCCC1 ZINC001753829991 1440499520 /nfs/dbraw/zinc/49/95/20/1440499520.db2.gz ROVLOECTZYPBAV-OALUTQOASA-N 2 1 335.536 3.090 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001753877383 1440519688 /nfs/dbraw/zinc/51/96/88/1440519688.db2.gz GEMAQHJWPMDWAU-UXHICEINSA-N 2 1 349.563 3.366 20 0 EGADMP CCN(CC[NH2+]CC1CCCCC1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001754085128 1440540007 /nfs/dbraw/zinc/54/00/07/1440540007.db2.gz UMIBUFKMWGMAAN-FQEVSTJZSA-N 2 1 345.531 3.308 20 0 EGADMP CCc1ccccc1C[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001754084897 1440540091 /nfs/dbraw/zinc/54/00/91/1440540091.db2.gz PFTBEBGODAYDDU-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001754354527 1440591391 /nfs/dbraw/zinc/59/13/91/1440591391.db2.gz SWQIZFPQBIQJGM-DLBZAZTESA-N 2 1 325.541 3.029 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCCN(C)C(=O)CC[C@H]2CCC[N@H+]2C)c1 ZINC001754376170 1440593009 /nfs/dbraw/zinc/59/30/09/1440593009.db2.gz AWDDPZBBLPFYEJ-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CN(CCC[NH2+]CCCC(C)(C)C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001754402305 1440595447 /nfs/dbraw/zinc/59/54/47/1440595447.db2.gz CVOJFUMXYYHTBJ-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N(C)CCC[NH2+][C@@H](C)c1ccccc1Cl ZINC001754416026 1440596798 /nfs/dbraw/zinc/59/67/98/1440596798.db2.gz IIODSORCPLYHHB-HNNXBMFYSA-N 2 1 339.911 3.179 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001754515902 1440618611 /nfs/dbraw/zinc/61/86/11/1440618611.db2.gz GIPJRALBTJTBKO-QZTJIDSGSA-N 2 1 343.515 3.169 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001754537896 1440625186 /nfs/dbraw/zinc/62/51/86/1440625186.db2.gz FYOFDGFCKKIGAC-ROUKRRSUSA-N 2 1 349.563 3.243 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001754537896 1440625187 /nfs/dbraw/zinc/62/51/87/1440625187.db2.gz FYOFDGFCKKIGAC-ROUKRRSUSA-N 2 1 349.563 3.243 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001754537896 1440625188 /nfs/dbraw/zinc/62/51/88/1440625188.db2.gz FYOFDGFCKKIGAC-ROUKRRSUSA-N 2 1 349.563 3.243 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC2(C1)CC[NH+](CC1=CCCCC1)CC2 ZINC001754560993 1440633710 /nfs/dbraw/zinc/63/37/10/1440633710.db2.gz FOUNEKBXPNDMJU-UHFFFAOYSA-N 2 1 347.547 3.143 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C[C@H]1C ZINC001754600924 1440642469 /nfs/dbraw/zinc/64/24/69/1440642469.db2.gz JGDAQQAFBYIGDV-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC(C)(NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001754629719 1440647409 /nfs/dbraw/zinc/64/74/09/1440647409.db2.gz KJLQPRQCUKQLFV-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC(C)(NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001754629719 1440647410 /nfs/dbraw/zinc/64/74/10/1440647410.db2.gz KJLQPRQCUKQLFV-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP CCCCC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001754684368 1440664119 /nfs/dbraw/zinc/66/41/19/1440664119.db2.gz YQWSXDRMUOMINM-HXUWFJFHSA-N 2 1 331.504 3.133 20 0 EGADMP CCc1ccccc1[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC=C(C)C ZINC001754786053 1440687820 /nfs/dbraw/zinc/68/78/20/1440687820.db2.gz UDEUICXMHURATL-UXHICEINSA-N 2 1 343.515 3.056 20 0 EGADMP CCC(CC)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001754822817 1440693304 /nfs/dbraw/zinc/69/33/04/1440693304.db2.gz QDOYNVBBBZKXBG-AEFFLSMTSA-N 2 1 339.568 3.085 20 0 EGADMP CCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001754833261 1440696234 /nfs/dbraw/zinc/69/62/34/1440696234.db2.gz QUWZWXWBVJNQIH-YRPNKDGESA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001754833261 1440696235 /nfs/dbraw/zinc/69/62/35/1440696235.db2.gz QUWZWXWBVJNQIH-YRPNKDGESA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001754833261 1440696236 /nfs/dbraw/zinc/69/62/36/1440696236.db2.gz QUWZWXWBVJNQIH-YRPNKDGESA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCC1 ZINC001754982613 1440721774 /nfs/dbraw/zinc/72/17/74/1440721774.db2.gz XOGPVAJTVMDRNZ-GOSISDBHSA-N 2 1 335.536 3.068 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CCC[N@H+](CC=C(C)C)CC1 ZINC001755024324 1440727840 /nfs/dbraw/zinc/72/78/40/1440727840.db2.gz BLYFQVSCRKWYFZ-MSOLQXFVSA-N 2 1 346.519 3.334 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CCC[N@@H+](CC=C(C)C)CC1 ZINC001755024324 1440727841 /nfs/dbraw/zinc/72/78/41/1440727841.db2.gz BLYFQVSCRKWYFZ-MSOLQXFVSA-N 2 1 346.519 3.334 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1CCC[N@H+](CC=C(C)C)CC1 ZINC001755024326 1440727904 /nfs/dbraw/zinc/72/79/04/1440727904.db2.gz BLYFQVSCRKWYFZ-ROUUACIJSA-N 2 1 346.519 3.334 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1CCC[N@@H+](CC=C(C)C)CC1 ZINC001755024326 1440727905 /nfs/dbraw/zinc/72/79/05/1440727905.db2.gz BLYFQVSCRKWYFZ-ROUUACIJSA-N 2 1 346.519 3.334 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)CC2)c1 ZINC001755027527 1440729510 /nfs/dbraw/zinc/72/95/10/1440729510.db2.gz BHNFHNPYHOVQKN-OALUTQOASA-N 2 1 345.531 3.287 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC2CC(C)C2)CC1 ZINC001755068672 1440745834 /nfs/dbraw/zinc/74/58/34/1440745834.db2.gz BXDMOIQQMKWYPC-ACBHZAAOSA-N 2 1 349.563 3.268 20 0 EGADMP CCC1([NH2+]CCC2CCCC2)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001755069049 1440745992 /nfs/dbraw/zinc/74/59/92/1440745992.db2.gz KYBYBJFFVIULRK-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CCC1([NH2+]CCC(C)C)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001755071800 1440746865 /nfs/dbraw/zinc/74/68/65/1440746865.db2.gz GZXSCODNNXNUII-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001755129167 1440756891 /nfs/dbraw/zinc/75/68/91/1440756891.db2.gz GOVAIJJVTJVPAA-IBGZPJMESA-N 2 1 347.547 3.330 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCCC2CCCC2)[C@@H](C)C1 ZINC001755166730 1440767704 /nfs/dbraw/zinc/76/77/04/1440767704.db2.gz FPXJIYWDGLGTTQ-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)[C@@H](C)C1 ZINC001755166730 1440767705 /nfs/dbraw/zinc/76/77/05/1440767705.db2.gz FPXJIYWDGLGTTQ-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)[C@@H](C)C1 ZINC001755166730 1440767706 /nfs/dbraw/zinc/76/77/06/1440767706.db2.gz FPXJIYWDGLGTTQ-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001755175797 1440770670 /nfs/dbraw/zinc/77/06/70/1440770670.db2.gz HWWHYXWCPWHQBO-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@@H+](CCC1CCCC1)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001755194309 1440776018 /nfs/dbraw/zinc/77/60/18/1440776018.db2.gz RWKHUOUTOOKLCV-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001755204388 1440781728 /nfs/dbraw/zinc/78/17/28/1440781728.db2.gz JQHLBNSVPCQTGQ-RTBURBONSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001755204388 1440781729 /nfs/dbraw/zinc/78/17/29/1440781729.db2.gz JQHLBNSVPCQTGQ-RTBURBONSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001755204388 1440781730 /nfs/dbraw/zinc/78/17/30/1440781730.db2.gz JQHLBNSVPCQTGQ-RTBURBONSA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1CCC1 ZINC001755286261 1440802125 /nfs/dbraw/zinc/80/21/25/1440802125.db2.gz SJEFSDRMHAFCJS-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001755407508 1440844873 /nfs/dbraw/zinc/84/48/73/1440844873.db2.gz MLICAIAMDJBFMA-KSZLIROESA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC001755407508 1440844874 /nfs/dbraw/zinc/84/48/74/1440844874.db2.gz MLICAIAMDJBFMA-KSZLIROESA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC001755407508 1440844875 /nfs/dbraw/zinc/84/48/75/1440844875.db2.gz MLICAIAMDJBFMA-KSZLIROESA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](CCCC1CCCC1)C2 ZINC001755457878 1440856530 /nfs/dbraw/zinc/85/65/30/1440856530.db2.gz VXERKLLSLLCHLB-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+](CCCC1CCCC1)C2 ZINC001755457878 1440856531 /nfs/dbraw/zinc/85/65/31/1440856531.db2.gz VXERKLLSLLCHLB-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC2(C1)CCC[N@@H+](CCCC1CCCC1)C2 ZINC001755457878 1440856532 /nfs/dbraw/zinc/85/65/32/1440856532.db2.gz VXERKLLSLLCHLB-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCC[C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001755518005 1440864554 /nfs/dbraw/zinc/86/45/54/1440864554.db2.gz ZQVXOLGEYUJDAN-MJGOQNOKSA-N 2 1 345.531 3.020 20 0 EGADMP CCCC[N@@H+](C)C1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001755536757 1440869905 /nfs/dbraw/zinc/86/99/05/1440869905.db2.gz HACFLDKBVBIJSO-UHFFFAOYSA-N 2 1 349.519 3.458 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001755619237 1440889982 /nfs/dbraw/zinc/88/99/82/1440889982.db2.gz UUSQCQLOQWPOBY-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001755701547 1440900494 /nfs/dbraw/zinc/90/04/94/1440900494.db2.gz QBHPZJGVRRJSFD-CUWPLCDZSA-N 2 1 343.515 3.121 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001755703517 1440901441 /nfs/dbraw/zinc/90/14/41/1440901441.db2.gz YKERFBGOFPKUCG-QUCCMNQESA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001755703517 1440901442 /nfs/dbraw/zinc/90/14/42/1440901442.db2.gz YKERFBGOFPKUCG-QUCCMNQESA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001755703517 1440901443 /nfs/dbraw/zinc/90/14/43/1440901443.db2.gz YKERFBGOFPKUCG-QUCCMNQESA-N 2 1 335.536 3.020 20 0 EGADMP Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)c(C)c1 ZINC001755724726 1440909051 /nfs/dbraw/zinc/90/90/51/1440909051.db2.gz XHIKCFIQKMCXEF-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C(C)(C)C ZINC001755839889 1440931275 /nfs/dbraw/zinc/93/12/75/1440931275.db2.gz NHBMCGFQWGVONE-MSOLQXFVSA-N 2 1 339.568 3.418 20 0 EGADMP Cc1nc(Cl)cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1C ZINC001164682544 719625957 /nfs/dbraw/zinc/62/59/57/719625957.db2.gz NTDKEWFVXSXWQB-UHFFFAOYSA-N 2 1 347.894 3.023 20 0 EGADMP Cc1nc(Cl)cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1C ZINC001164682544 719625967 /nfs/dbraw/zinc/62/59/67/719625967.db2.gz NTDKEWFVXSXWQB-UHFFFAOYSA-N 2 1 347.894 3.023 20 0 EGADMP Cc1ccc(-c2nnc([C@H](C)N3CC[C@]4(CC[N@@H+](C)C4)C3)o2)cc1C ZINC000368354234 168346251 /nfs/dbraw/zinc/34/62/51/168346251.db2.gz HKRYEHQLIUCPAR-JXFKEZNVSA-N 2 1 340.471 3.442 20 0 EGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174724613 231291571 /nfs/dbraw/zinc/29/15/71/231291571.db2.gz DKUZSGQADPZXRX-AWEZNQCLSA-N 2 1 327.875 3.109 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346851408 282240474 /nfs/dbraw/zinc/24/04/74/282240474.db2.gz JQMIWLBIIBLKRO-JVPBZIDWSA-N 2 1 344.890 3.393 20 0 EGADMP CCc1noc(C2CCC([NH2+]C[C@@H](C)Cn3cc[nH+]c3C)CC2)n1 ZINC000183790945 235227782 /nfs/dbraw/zinc/22/77/82/235227782.db2.gz KTWISPGVHBYKOM-IUDNXUCKSA-N 2 1 331.464 3.089 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000130722882 223171876 /nfs/dbraw/zinc/17/18/76/223171876.db2.gz ZOVDIZZXSYAEJR-CYBMUJFWSA-N 2 1 334.851 3.194 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000130722882 223171878 /nfs/dbraw/zinc/17/18/78/223171878.db2.gz ZOVDIZZXSYAEJR-CYBMUJFWSA-N 2 1 334.851 3.194 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000130886748 223185365 /nfs/dbraw/zinc/18/53/65/223185365.db2.gz KLWNOPONLBABQG-ZDUSSCGKSA-N 2 1 334.851 3.194 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000130886748 223185367 /nfs/dbraw/zinc/18/53/67/223185367.db2.gz KLWNOPONLBABQG-ZDUSSCGKSA-N 2 1 334.851 3.194 20 0 EGADMP c1cc2c(cccc2C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)[nH]1 ZINC000236694886 242322812 /nfs/dbraw/zinc/32/28/12/242322812.db2.gz KJLGXEAXCZHOKL-UHFFFAOYSA-N 2 1 335.451 3.290 20 0 EGADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372329406 296238820 /nfs/dbraw/zinc/23/88/20/296238820.db2.gz BVOSWYMZAZGYFF-JTDSTZFVSA-N 2 1 335.923 3.359 20 0 EGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372329406 296238823 /nfs/dbraw/zinc/23/88/23/296238823.db2.gz BVOSWYMZAZGYFF-JTDSTZFVSA-N 2 1 335.923 3.359 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(C)nc1-c1cccs1 ZINC000377674130 169058025 /nfs/dbraw/zinc/05/80/25/169058025.db2.gz CUWQWDUYSWMUBB-UHFFFAOYSA-N 2 1 329.473 3.176 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(C)nc1-c1cccs1 ZINC000377674130 169058028 /nfs/dbraw/zinc/05/80/28/169058028.db2.gz CUWQWDUYSWMUBB-UHFFFAOYSA-N 2 1 329.473 3.176 20 0 EGADMP CCOc1c(OC)cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000092043582 218108848 /nfs/dbraw/zinc/10/88/48/218108848.db2.gz MHXGFRYENPQOEG-IAGOWNOFSA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000092043582 218108849 /nfs/dbraw/zinc/10/88/49/218108849.db2.gz MHXGFRYENPQOEG-IAGOWNOFSA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000092043582 218108851 /nfs/dbraw/zinc/10/88/51/218108851.db2.gz MHXGFRYENPQOEG-IAGOWNOFSA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000092043582 218108852 /nfs/dbraw/zinc/10/88/52/218108852.db2.gz MHXGFRYENPQOEG-IAGOWNOFSA-N 2 1 348.487 3.019 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)CC1 ZINC000092165931 218124993 /nfs/dbraw/zinc/12/49/93/218124993.db2.gz RKVMRZXUDKELMW-UHFFFAOYSA-N 2 1 342.487 3.392 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)CC1 ZINC000092165931 218124995 /nfs/dbraw/zinc/12/49/95/218124995.db2.gz RKVMRZXUDKELMW-UHFFFAOYSA-N 2 1 342.487 3.392 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]C3CC[NH+](CC(C)C)CC3)c(C)n2n1 ZINC000093372616 218220135 /nfs/dbraw/zinc/22/01/35/218220135.db2.gz RJACEISJYPTBAA-OAHLLOKOSA-N 2 1 329.492 3.117 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000093693758 218243777 /nfs/dbraw/zinc/24/37/77/218243777.db2.gz LKCBBFZEPHXXHA-SFHVURJKSA-N 2 1 340.471 3.433 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000093693758 218243778 /nfs/dbraw/zinc/24/37/78/218243778.db2.gz LKCBBFZEPHXXHA-SFHVURJKSA-N 2 1 340.471 3.433 20 0 EGADMP C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC(C)(C)C[NH3+] ZINC000093873836 218254071 /nfs/dbraw/zinc/25/40/71/218254071.db2.gz MHCDHSJABZRLJT-UHFFFAOYSA-N 2 1 332.275 3.239 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1([NH3+])CCCCC1 ZINC000237342465 296314120 /nfs/dbraw/zinc/31/41/20/296314120.db2.gz UAWFOMFNZOJPJF-QGZVFWFLSA-N 2 1 343.515 3.339 20 0 EGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000268745043 252194910 /nfs/dbraw/zinc/19/49/10/252194910.db2.gz ROOWLZLMQRFIHX-INIZCTEOSA-N 2 1 338.492 3.103 20 0 EGADMP Fc1ccc(CC[NH+]2CCC(N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000268764270 252213985 /nfs/dbraw/zinc/21/39/85/252213985.db2.gz IRTLXFISOZAAKM-SFTDATJTSA-N 2 1 345.506 3.049 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)Cc2ccccc2)cc1 ZINC000268861883 252310422 /nfs/dbraw/zinc/31/04/22/252310422.db2.gz IAWWSJNALACRMN-HRAATJIYSA-N 2 1 335.451 3.435 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268852117 252299967 /nfs/dbraw/zinc/29/99/67/252299967.db2.gz HJJZAEKJNFSOMD-RXVVDRJESA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268852117 252299968 /nfs/dbraw/zinc/29/99/68/252299968.db2.gz HJJZAEKJNFSOMD-RXVVDRJESA-N 3 1 329.532 3.361 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000268872542 252321382 /nfs/dbraw/zinc/32/13/82/252321382.db2.gz GLRADIVYUHHAPK-UVBJJODRSA-N 2 1 331.287 3.347 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000153802547 224160018 /nfs/dbraw/zinc/16/00/18/224160018.db2.gz KIIURYMUAOWFLQ-KRWDZBQOSA-N 2 1 327.472 3.368 20 0 EGADMP C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371336011 533411802 /nfs/dbraw/zinc/41/18/02/533411802.db2.gz NDVKAFHRJMYFPF-JENJNIGESA-N 2 1 327.516 3.190 20 0 EGADMP COc1cccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000158586746 533663017 /nfs/dbraw/zinc/66/30/17/533663017.db2.gz RFDICSRJIVOUIS-UZLBHIALSA-N 2 1 330.472 3.023 20 0 EGADMP COc1cccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000158586746 533663026 /nfs/dbraw/zinc/66/30/26/533663026.db2.gz RFDICSRJIVOUIS-UZLBHIALSA-N 2 1 330.472 3.023 20 0 EGADMP COc1cccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000158586746 533663032 /nfs/dbraw/zinc/66/30/32/533663032.db2.gz RFDICSRJIVOUIS-UZLBHIALSA-N 2 1 330.472 3.023 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000237472947 141003452 /nfs/dbraw/zinc/00/34/52/141003452.db2.gz FYAKNWGOQIXSMD-DYESRHJHSA-N 2 1 343.515 3.067 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc3c2OC(C)(C)C3)C[C@H](C)O1 ZINC000237608368 141010100 /nfs/dbraw/zinc/01/01/00/141010100.db2.gz HKHXDWJBZQLEHS-CALCHBBNSA-N 2 1 346.515 3.379 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000246895966 141042349 /nfs/dbraw/zinc/04/23/49/141042349.db2.gz FAPXZPGYVLJTOU-VLFNSIGCSA-N 2 1 329.532 3.358 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246895966 141042350 /nfs/dbraw/zinc/04/23/50/141042350.db2.gz FAPXZPGYVLJTOU-VLFNSIGCSA-N 3 1 329.532 3.358 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246895966 141042351 /nfs/dbraw/zinc/04/23/51/141042351.db2.gz FAPXZPGYVLJTOU-VLFNSIGCSA-N 3 1 329.532 3.358 20 0 EGADMP C[C@@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000338045913 141080638 /nfs/dbraw/zinc/08/06/38/141080638.db2.gz SNDBCQAIDBKPIP-ADHGMGHFSA-N 2 1 337.552 3.120 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000346628058 141207714 /nfs/dbraw/zinc/20/77/14/141207714.db2.gz AHHYMVDITYZPSM-UHFFFAOYSA-N 2 1 328.504 3.273 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000346628058 141207716 /nfs/dbraw/zinc/20/77/16/141207716.db2.gz AHHYMVDITYZPSM-UHFFFAOYSA-N 2 1 328.504 3.273 20 0 EGADMP CCOc1ccccc1OCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000350732767 141264280 /nfs/dbraw/zinc/26/42/80/141264280.db2.gz SJCOEAIZNXTUEP-SFHVURJKSA-N 2 1 332.488 3.128 20 0 EGADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000350732767 141264283 /nfs/dbraw/zinc/26/42/83/141264283.db2.gz SJCOEAIZNXTUEP-SFHVURJKSA-N 2 1 332.488 3.128 20 0 EGADMP CCOc1ccccc1OCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000350732767 141264286 /nfs/dbraw/zinc/26/42/86/141264286.db2.gz SJCOEAIZNXTUEP-SFHVURJKSA-N 2 1 332.488 3.128 20 0 EGADMP CCOc1ccccc1OCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000350732767 141264288 /nfs/dbraw/zinc/26/42/88/141264288.db2.gz SJCOEAIZNXTUEP-SFHVURJKSA-N 2 1 332.488 3.128 20 0 EGADMP CN(C[C@H](O)C[N@@H+](CCc1ccc(Cl)cc1)CC1CC1)C1CC1 ZINC000351513899 144272790 /nfs/dbraw/zinc/27/27/90/144272790.db2.gz NHATVUIROGODCC-IBGZPJMESA-N 2 1 336.907 3.050 20 0 EGADMP C[N@H+](C[C@H](O)C[NH+](CCc1ccc(Cl)cc1)CC1CC1)C1CC1 ZINC000351513899 144272792 /nfs/dbraw/zinc/27/27/92/144272792.db2.gz NHATVUIROGODCC-IBGZPJMESA-N 2 1 336.907 3.050 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH+](CCc1ccc(Cl)cc1)CC1CC1)C1CC1 ZINC000351513899 144272794 /nfs/dbraw/zinc/27/27/94/144272794.db2.gz NHATVUIROGODCC-IBGZPJMESA-N 2 1 336.907 3.050 20 0 EGADMP C[NH+](C[C@H](O)C[N@H+](CCc1ccc(Cl)cc1)CC1CC1)C1CC1 ZINC000351513899 144272796 /nfs/dbraw/zinc/27/27/96/144272796.db2.gz NHATVUIROGODCC-IBGZPJMESA-N 2 1 336.907 3.050 20 0 EGADMP C[NH+](C[C@H](O)C[N@@H+](CCc1ccc(Cl)cc1)CC1CC1)C1CC1 ZINC000351513899 144272798 /nfs/dbraw/zinc/27/27/98/144272798.db2.gz NHATVUIROGODCC-IBGZPJMESA-N 2 1 336.907 3.050 20 0 EGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3conc3Cc3ccccc3)CC[C@@H]21 ZINC000351815535 144310480 /nfs/dbraw/zinc/31/04/80/144310480.db2.gz WEDPNICPCZJPAT-PXNSSMCTSA-N 2 1 325.456 3.182 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3conc3Cc3ccccc3)CC[C@@H]21 ZINC000351815535 144310481 /nfs/dbraw/zinc/31/04/81/144310481.db2.gz WEDPNICPCZJPAT-PXNSSMCTSA-N 2 1 325.456 3.182 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3conc3Cc3ccccc3)CC[C@@H]21 ZINC000351815535 144310482 /nfs/dbraw/zinc/31/04/82/144310482.db2.gz WEDPNICPCZJPAT-PXNSSMCTSA-N 2 1 325.456 3.182 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3conc3Cc3ccccc3)CC[C@@H]21 ZINC000351815535 144310483 /nfs/dbraw/zinc/31/04/83/144310483.db2.gz WEDPNICPCZJPAT-PXNSSMCTSA-N 2 1 325.456 3.182 20 0 EGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000363779842 144365436 /nfs/dbraw/zinc/36/54/36/144365436.db2.gz FAUQRENQESAFCL-KKUMJFAQSA-N 2 1 340.414 3.110 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1CNC1CC[NH+](Cc2ccccn2)CC1 ZINC000341341781 155242668 /nfs/dbraw/zinc/24/26/68/155242668.db2.gz FQJPIIIGTNACGC-NRFANRHFSA-N 2 1 344.547 3.290 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC1CC[NH+](Cc2ccccn2)CC1 ZINC000341341781 155242670 /nfs/dbraw/zinc/24/26/70/155242670.db2.gz FQJPIIIGTNACGC-NRFANRHFSA-N 2 1 344.547 3.290 20 0 EGADMP CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000120815152 152302635 /nfs/dbraw/zinc/30/26/35/152302635.db2.gz FFZVZPNGAXZFLM-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000121050708 152320690 /nfs/dbraw/zinc/32/06/90/152320690.db2.gz DGGHFEFEMKAQQS-RXVVDRJESA-N 2 1 329.532 3.348 20 0 EGADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCN(C)C[C@@H]3C)cc2)CC1 ZINC000121050708 152320693 /nfs/dbraw/zinc/32/06/93/152320693.db2.gz DGGHFEFEMKAQQS-RXVVDRJESA-N 2 1 329.532 3.348 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](CNCc2ccc(N(C)C(C)C)nc2)C1 ZINC000191452628 153197717 /nfs/dbraw/zinc/19/77/17/153197717.db2.gz BYKQQXGIGKPXQD-IBGZPJMESA-N 2 1 332.536 3.384 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000191452628 153197721 /nfs/dbraw/zinc/19/77/21/153197721.db2.gz BYKQQXGIGKPXQD-IBGZPJMESA-N 2 1 332.536 3.384 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000191452628 153197724 /nfs/dbraw/zinc/19/77/24/153197724.db2.gz BYKQQXGIGKPXQD-IBGZPJMESA-N 2 1 332.536 3.384 20 0 EGADMP Cc1ccn2c(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cnc2c1 ZINC000192929147 153268456 /nfs/dbraw/zinc/26/84/56/153268456.db2.gz GRIVGSZJXOPCII-LJQANCHMSA-N 2 1 334.467 3.254 20 0 EGADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000305124934 154084611 /nfs/dbraw/zinc/08/46/11/154084611.db2.gz OIGSOKLKJIBPLI-FQEVSTJZSA-N 2 1 346.515 3.460 20 0 EGADMP FC(F)(F)COCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310383194 154142528 /nfs/dbraw/zinc/14/25/28/154142528.db2.gz JNBZRBGKPWNQLS-IAGOWNOFSA-N 2 1 342.405 3.019 20 0 EGADMP FC(F)(F)COCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310383194 154142531 /nfs/dbraw/zinc/14/25/31/154142531.db2.gz JNBZRBGKPWNQLS-IAGOWNOFSA-N 2 1 342.405 3.019 20 0 EGADMP FC(F)(F)COCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310383194 154142534 /nfs/dbraw/zinc/14/25/34/154142534.db2.gz JNBZRBGKPWNQLS-IAGOWNOFSA-N 2 1 342.405 3.019 20 0 EGADMP FC(F)(F)COCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310383194 154142538 /nfs/dbraw/zinc/14/25/38/154142538.db2.gz JNBZRBGKPWNQLS-IAGOWNOFSA-N 2 1 342.405 3.019 20 0 EGADMP c1nn2ccccc2c1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000311798656 154148716 /nfs/dbraw/zinc/14/87/16/154148716.db2.gz KDCRMETWAXFZRJ-SESVDKBCSA-N 2 1 346.478 3.335 20 0 EGADMP c1cncc([C@@H]2CCC[C@@H]([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)c1 ZINC000337348686 154299437 /nfs/dbraw/zinc/29/94/37/154299437.db2.gz ZGPVZEXUSWYHDT-UYAOXDASSA-N 2 1 343.515 3.342 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3OCc3ccccn3)C[C@@H]21 ZINC000346851323 156165327 /nfs/dbraw/zinc/16/53/27/156165327.db2.gz VZVSKTKQJMWPLF-LSTHTHJFSA-N 2 1 337.467 3.220 20 0 EGADMP FC(F)Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000368624176 157245212 /nfs/dbraw/zinc/24/52/12/157245212.db2.gz MWCYGVPSVSVAFX-KRWDZBQOSA-N 2 1 348.441 3.150 20 0 EGADMP FC(F)Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000368624176 157245216 /nfs/dbraw/zinc/24/52/16/157245216.db2.gz MWCYGVPSVSVAFX-KRWDZBQOSA-N 2 1 348.441 3.150 20 0 EGADMP Cc1nccn1CCCC[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000368691923 157264679 /nfs/dbraw/zinc/26/46/79/157264679.db2.gz KXWWRZBOVSDIES-OAQYLSRUSA-N 2 1 341.499 3.289 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000368691923 157264681 /nfs/dbraw/zinc/26/46/81/157264681.db2.gz KXWWRZBOVSDIES-OAQYLSRUSA-N 2 1 341.499 3.289 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000368691923 157264685 /nfs/dbraw/zinc/26/46/85/157264685.db2.gz KXWWRZBOVSDIES-OAQYLSRUSA-N 2 1 341.499 3.289 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000130618481 162373872 /nfs/dbraw/zinc/37/38/72/162373872.db2.gz ZLEXDORQCQLBEK-KSSFIOAISA-N 2 1 329.419 3.443 20 0 EGADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000130618481 162373875 /nfs/dbraw/zinc/37/38/75/162373875.db2.gz ZLEXDORQCQLBEK-KSSFIOAISA-N 2 1 329.419 3.443 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000130618481 162373880 /nfs/dbraw/zinc/37/38/80/162373880.db2.gz ZLEXDORQCQLBEK-KSSFIOAISA-N 2 1 329.419 3.443 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000130618481 162373886 /nfs/dbraw/zinc/37/38/86/162373886.db2.gz ZLEXDORQCQLBEK-KSSFIOAISA-N 2 1 329.419 3.443 20 0 EGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@H]2CCO[C@H]21 ZINC000248413473 163003152 /nfs/dbraw/zinc/00/31/52/163003152.db2.gz LGWGMPBKMLWYLR-JMPUJIDWSA-N 2 1 340.511 3.300 20 0 EGADMP Cc1cc(=O)[nH]c([C@H](C)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000248771733 163034022 /nfs/dbraw/zinc/03/40/22/163034022.db2.gz SUIGKKZXDXTWQI-FUHWJXTLSA-N 2 1 340.471 3.006 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CCCO1 ZINC000337267922 163187606 /nfs/dbraw/zinc/18/76/06/163187606.db2.gz WYHVIGXMXHYVIN-WSTZPKSXSA-N 2 1 331.504 3.198 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CCCO1 ZINC000337267922 163187610 /nfs/dbraw/zinc/18/76/10/163187610.db2.gz WYHVIGXMXHYVIN-WSTZPKSXSA-N 2 1 331.504 3.198 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cnc(C3CCC3)s2)C[C@H](C)O1 ZINC000343803872 164038334 /nfs/dbraw/zinc/03/83/34/164038334.db2.gz GHQIEKXWQWZHQP-GASCZTMLSA-N 2 1 337.533 3.390 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1(C)C ZINC000344001571 164080266 /nfs/dbraw/zinc/08/02/66/164080266.db2.gz ARXCDIPFODHUQL-LSTHTHJFSA-N 2 1 346.515 3.201 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1(C)C ZINC000344001571 164080267 /nfs/dbraw/zinc/08/02/67/164080267.db2.gz ARXCDIPFODHUQL-LSTHTHJFSA-N 2 1 346.515 3.201 20 0 EGADMP O[C@@]1(CNCc2coc3ccccc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000344541644 164188689 /nfs/dbraw/zinc/18/86/89/164188689.db2.gz VXVQQCZXERYVPW-OAQYLSRUSA-N 2 1 336.435 3.159 20 0 EGADMP O[C@@]1(C[NH2+]Cc2coc3ccccc23)CCN(Cc2ccccc2)C1 ZINC000344541644 164188692 /nfs/dbraw/zinc/18/86/92/164188692.db2.gz VXVQQCZXERYVPW-OAQYLSRUSA-N 2 1 336.435 3.159 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+](CC)CC ZINC000346154183 164352251 /nfs/dbraw/zinc/35/22/51/164352251.db2.gz SNLAVGNXSDOIOY-GBESFXJTSA-N 2 1 337.552 3.220 20 0 EGADMP COc1sc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1Br ZINC000350177595 165016860 /nfs/dbraw/zinc/01/68/60/165016860.db2.gz SRTOBWFBKLDNLK-UHFFFAOYSA-N 2 1 347.322 3.293 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000350226637 165020439 /nfs/dbraw/zinc/02/04/39/165020439.db2.gz VPAMYLAERNWRRV-MRXNPFEDSA-N 2 1 349.500 3.336 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000350226637 165020440 /nfs/dbraw/zinc/02/04/40/165020440.db2.gz VPAMYLAERNWRRV-MRXNPFEDSA-N 2 1 349.500 3.336 20 0 EGADMP Cc1nc2ccccc2n1CCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352256021 165313012 /nfs/dbraw/zinc/31/30/12/165313012.db2.gz FRLKAVUGJVCJHY-UHFFFAOYSA-N 2 1 343.500 3.043 20 0 EGADMP Cc1ccc(CCC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000355286134 166154738 /nfs/dbraw/zinc/15/47/38/166154738.db2.gz VBSYLZLRUJMTJS-SZPZYZBQSA-N 2 1 335.495 3.386 20 0 EGADMP Cc1ccc(CCC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000355286134 166154740 /nfs/dbraw/zinc/15/47/40/166154740.db2.gz VBSYLZLRUJMTJS-SZPZYZBQSA-N 2 1 335.495 3.386 20 0 EGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CCOCC4CC4)C3)C2)cc1 ZINC000355777639 166305188 /nfs/dbraw/zinc/30/51/88/166305188.db2.gz CISONZZLUZZMDY-OAQYLSRUSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CCOCC4CC4)C3)C2)cc1 ZINC000355777639 166305189 /nfs/dbraw/zinc/30/51/89/166305189.db2.gz CISONZZLUZZMDY-OAQYLSRUSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CCOCC4CC4)C3)C2)cc1 ZINC000355777639 166305192 /nfs/dbraw/zinc/30/51/92/166305192.db2.gz CISONZZLUZZMDY-OAQYLSRUSA-N 2 1 328.500 3.401 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000359805823 167237669 /nfs/dbraw/zinc/23/76/69/167237669.db2.gz ZEUUEFTWPVHRNV-QGZVFWFLSA-N 2 1 331.504 3.133 20 0 EGADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)s1 ZINC000365817752 168047085 /nfs/dbraw/zinc/04/70/85/168047085.db2.gz CLLUKBURWYAOCL-CQSZACIVSA-N 2 1 333.505 3.102 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000366224803 168095999 /nfs/dbraw/zinc/09/59/99/168095999.db2.gz ZEXQDWPURNAUJK-GIVPXCGWSA-N 2 1 329.532 3.219 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000366224803 168096000 /nfs/dbraw/zinc/09/60/00/168096000.db2.gz ZEXQDWPURNAUJK-GIVPXCGWSA-N 2 1 329.532 3.219 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000366224803 168096001 /nfs/dbraw/zinc/09/60/01/168096001.db2.gz ZEXQDWPURNAUJK-GIVPXCGWSA-N 2 1 329.532 3.219 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCc3nn(C)cc32)cc1F ZINC000366415611 168118270 /nfs/dbraw/zinc/11/82/70/168118270.db2.gz BBLJSLLQTXJAHQ-KRWDZBQOSA-N 2 1 339.418 3.221 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000367058498 168174200 /nfs/dbraw/zinc/17/42/00/168174200.db2.gz ULBXMEXIIUFJMI-PZJWPPBQSA-N 2 1 344.547 3.115 20 0 EGADMP Clc1c(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cnn1Cc1ccccc1 ZINC000367401505 168220311 /nfs/dbraw/zinc/22/03/11/168220311.db2.gz ZPBVFLQQQQLOAU-QZTJIDSGSA-N 2 1 344.890 3.301 20 0 EGADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000367703059 168260621 /nfs/dbraw/zinc/26/06/21/168260621.db2.gz MTJOTUNAIJDSRN-OAHLLOKOSA-N 2 1 327.428 3.055 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cnc3ccsc3c2)CC1 ZINC000159186261 225166052 /nfs/dbraw/zinc/16/60/52/225166052.db2.gz HUKIIDYRFLKPBS-CQSZACIVSA-N 2 1 333.501 3.448 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000163969289 226034326 /nfs/dbraw/zinc/03/43/26/226034326.db2.gz OZZGCGKUYLXBBK-CKJXQJPGSA-N 2 1 340.515 3.367 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000163969289 226034331 /nfs/dbraw/zinc/03/43/31/226034331.db2.gz OZZGCGKUYLXBBK-CKJXQJPGSA-N 2 1 340.515 3.367 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000163969385 226034692 /nfs/dbraw/zinc/03/46/92/226034692.db2.gz OZZGCGKUYLXBBK-QYWGDWMGSA-N 2 1 340.515 3.367 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000163969385 226034696 /nfs/dbraw/zinc/03/46/96/226034696.db2.gz OZZGCGKUYLXBBK-QYWGDWMGSA-N 2 1 340.515 3.367 20 0 EGADMP COCc1cc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)ccc1OC ZINC000164672342 226092023 /nfs/dbraw/zinc/09/20/23/226092023.db2.gz DXBFLUFTIIQPOY-HNNXBMFYSA-N 2 1 331.460 3.478 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)CC3 ZINC000123087331 222212168 /nfs/dbraw/zinc/21/21/68/222212168.db2.gz PLWQAASBOGRAQS-HUUCEWRRSA-N 2 1 339.483 3.108 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178634923 265333512 /nfs/dbraw/zinc/33/35/12/265333512.db2.gz BDGLXVHAJOKMPP-DBXWQHBBSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178634923 265333515 /nfs/dbraw/zinc/33/35/15/265333515.db2.gz BDGLXVHAJOKMPP-DBXWQHBBSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(Cl)ccc2F)C[C@H](C)O1 ZINC000179008826 265355696 /nfs/dbraw/zinc/35/56/96/265355696.db2.gz OPCDUWPLFIAEIK-OKILXGFUSA-N 2 1 328.859 3.458 20 0 EGADMP CCOc1ccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000179172468 265365287 /nfs/dbraw/zinc/36/52/87/265365287.db2.gz YFTNKZBKDDSFOE-UTKZUKDTSA-N 2 1 344.499 3.413 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000180206375 265398372 /nfs/dbraw/zinc/39/83/72/265398372.db2.gz CFFAUPCPWXBKII-KLAILNCOSA-N 2 1 339.524 3.144 20 0 EGADMP COc1c(Br)cccc1C[NH2+]CCCn1cc[nH+]c1C ZINC000274804301 267289817 /nfs/dbraw/zinc/28/98/17/267289817.db2.gz PDHITHJZUMIQDU-UHFFFAOYSA-N 2 1 338.249 3.143 20 0 EGADMP C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274953360 267311502 /nfs/dbraw/zinc/31/15/02/267311502.db2.gz VNHMGPUCMXQCGO-VHHKXPHXSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274953360 267311504 /nfs/dbraw/zinc/31/15/04/267311504.db2.gz VNHMGPUCMXQCGO-VHHKXPHXSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1OC(F)F ZINC000278500419 268025457 /nfs/dbraw/zinc/02/54/57/268025457.db2.gz LOFYUZVOCPRWSC-CABCVRRESA-N 2 1 342.430 3.440 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1OC(F)F ZINC000278500419 268025460 /nfs/dbraw/zinc/02/54/60/268025460.db2.gz LOFYUZVOCPRWSC-CABCVRRESA-N 2 1 342.430 3.440 20 0 EGADMP COc1cccc2c(N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc(C)[nH+]c12 ZINC000133534191 274150465 /nfs/dbraw/zinc/15/04/65/274150465.db2.gz NFCXUOGFDXBFRQ-WBVHZDCISA-N 2 1 325.456 3.472 20 0 EGADMP COc1cccc2c(N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc(C)[nH+]c12 ZINC000133534191 274150467 /nfs/dbraw/zinc/15/04/67/274150467.db2.gz NFCXUOGFDXBFRQ-WBVHZDCISA-N 2 1 325.456 3.472 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CSCCc3ccccc32)C[C@H](C)O1 ZINC000246979968 274346978 /nfs/dbraw/zinc/34/69/78/274346978.db2.gz KAPDSUHAWGLRGJ-QKLQHJQFSA-N 2 1 348.556 3.496 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000271902825 275240041 /nfs/dbraw/zinc/24/00/41/275240041.db2.gz WBAKJPPKAQKWAT-UHFFFAOYSA-N 2 1 333.907 3.156 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(C)o1 ZINC000278624095 275260159 /nfs/dbraw/zinc/26/01/59/275260159.db2.gz GLGRCDOBEWJLCQ-DNVCBOLYSA-N 2 1 328.456 3.314 20 0 EGADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000280045978 275396592 /nfs/dbraw/zinc/39/65/92/275396592.db2.gz VSXZTQRZFHLYAX-LSDHHAIUSA-N 2 1 332.488 3.412 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]CCCCn2cc[nH+]c2C)c2ccccc2C1 ZINC000368595293 275468278 /nfs/dbraw/zinc/46/82/78/275468278.db2.gz YLGARJBFAMAGSJ-FQEVSTJZSA-N 2 1 340.471 3.055 20 0 EGADMP Brc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC000282425991 275632828 /nfs/dbraw/zinc/63/28/28/275632828.db2.gz MBFCVMCROCCFOT-BLLLJJGKSA-N 2 1 346.272 3.485 20 0 EGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3COc4ccccc4[C@H]3O)CC2)C1 ZINC000290282778 276474931 /nfs/dbraw/zinc/47/49/31/276474931.db2.gz MIVFNJRQXSNOCW-UKHYVGRKSA-N 2 1 344.499 3.114 20 0 EGADMP CC(C)C[NH+]1CCC(N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000131157248 277386742 /nfs/dbraw/zinc/38/67/42/277386742.db2.gz YGKZOHOEQASXFU-GOSISDBHSA-N 2 1 347.547 3.398 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cc1 ZINC000248462474 278358436 /nfs/dbraw/zinc/35/84/36/278358436.db2.gz YIXRUAXUTISQOW-FOIQADDNSA-N 2 1 328.431 3.243 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000131274423 279044461 /nfs/dbraw/zinc/04/44/61/279044461.db2.gz XMIXINMWPJWKNA-PMACEKPBSA-N 2 1 343.515 3.156 20 0 EGADMP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000245950430 289336158 /nfs/dbraw/zinc/33/61/58/289336158.db2.gz ATXKODODGAVGKS-IAGOWNOFSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116396018 307483638 /nfs/dbraw/zinc/48/36/38/307483638.db2.gz VRYQCPINXADKIK-PBHICJAKSA-N 2 1 337.483 3.417 20 0 EGADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1(C)C ZINC000414067264 309058865 /nfs/dbraw/zinc/05/88/65/309058865.db2.gz AFGORJKYVGYRCX-IAGOWNOFSA-N 2 1 338.536 3.203 20 0 EGADMP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000414133923 309062714 /nfs/dbraw/zinc/06/27/14/309062714.db2.gz BVCKWQFEPOPGAQ-PFAUGDHASA-N 2 1 328.500 3.180 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414173616 309064644 /nfs/dbraw/zinc/06/46/44/309064644.db2.gz FYUXOBAJHTTYIP-ZBFHGGJFSA-N 2 1 333.476 3.036 20 0 EGADMP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)[C@H](C)O1 ZINC000414283610 309070578 /nfs/dbraw/zinc/07/05/78/309070578.db2.gz PHRNMMMZIBPXHK-RYRKJORJSA-N 2 1 334.479 3.236 20 0 EGADMP CN(C)c1[nH+]cc(CNc2cccc(C[NH+]3CCCCC3)c2)n1C ZINC000414299864 309071471 /nfs/dbraw/zinc/07/14/71/309071471.db2.gz RMUGFPDENQXBPH-UHFFFAOYSA-N 2 1 327.476 3.084 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@H]1CCCO1 ZINC000248410141 308002485 /nfs/dbraw/zinc/00/24/85/308002485.db2.gz GSGQJGBMUOWQDG-YMQHIKHWSA-N 2 1 328.500 3.444 20 0 EGADMP CC[C@]1(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CCC[NH2+]1 ZINC000248712093 308009802 /nfs/dbraw/zinc/00/98/02/308009802.db2.gz JMPVINRBURNLNK-OXQOHEQNSA-N 2 1 329.488 3.389 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3oc(C(=O)OCC)c(C)c32)C1 ZINC000249036162 308017478 /nfs/dbraw/zinc/01/74/78/308017478.db2.gz SPZQEZYGKKQPIM-HOTGVXAUSA-N 2 1 348.487 3.464 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3oc(C(=O)OCC)c(C)c32)C1 ZINC000249036162 308017480 /nfs/dbraw/zinc/01/74/80/308017480.db2.gz SPZQEZYGKKQPIM-HOTGVXAUSA-N 2 1 348.487 3.464 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H](c1ccccc1)N(C)C ZINC000253359114 308033908 /nfs/dbraw/zinc/03/39/08/308033908.db2.gz CFYLJCCJTRZKPG-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000253359114 308033909 /nfs/dbraw/zinc/03/39/09/308033909.db2.gz CFYLJCCJTRZKPG-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000253359114 308033910 /nfs/dbraw/zinc/03/39/10/308033910.db2.gz CFYLJCCJTRZKPG-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nn1 ZINC000414405011 309078145 /nfs/dbraw/zinc/07/81/45/309078145.db2.gz IQVJWEHZUULFSE-UHFFFAOYSA-N 2 1 336.483 3.273 20 0 EGADMP Cc1nnc([C@@H](C)[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000293418493 308128993 /nfs/dbraw/zinc/12/89/93/308128993.db2.gz SORSOMKBUZMYOD-MRXNPFEDSA-N 2 1 340.471 3.427 20 0 EGADMP Cc1nnc([C@@H](C)[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000293418493 308128995 /nfs/dbraw/zinc/12/89/95/308128995.db2.gz SORSOMKBUZMYOD-MRXNPFEDSA-N 2 1 340.471 3.427 20 0 EGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H](CC(N)=O)c3ccccc3)CC2)C1 ZINC000293515041 308137763 /nfs/dbraw/zinc/13/77/63/308137763.db2.gz ANUVEMXVTYEUKE-AHRSYUTCSA-N 2 1 343.515 3.236 20 0 EGADMP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(Cl)c1OC ZINC000293711894 308155041 /nfs/dbraw/zinc/15/50/41/308155041.db2.gz MWPXEBFCSHTUCE-KCQAQPDRSA-N 2 1 340.895 3.218 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000294692803 308246384 /nfs/dbraw/zinc/24/63/84/308246384.db2.gz ATOOISOERMZTLY-ODLRDIKDSA-N 2 1 332.488 3.411 20 0 EGADMP C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000294887777 308268069 /nfs/dbraw/zinc/26/80/69/308268069.db2.gz YCSKIQRBZPEHSF-OAFZBRQQSA-N 2 1 334.529 3.137 20 0 EGADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294921574 308271875 /nfs/dbraw/zinc/27/18/75/308271875.db2.gz FRIRQLNZOMNTID-AHSZXGJYSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294921574 308271876 /nfs/dbraw/zinc/27/18/76/308271876.db2.gz FRIRQLNZOMNTID-AHSZXGJYSA-N 3 1 327.516 3.112 20 0 EGADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294921574 308271877 /nfs/dbraw/zinc/27/18/77/308271877.db2.gz FRIRQLNZOMNTID-AHSZXGJYSA-N 3 1 327.516 3.112 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294921574 308271878 /nfs/dbraw/zinc/27/18/78/308271878.db2.gz FRIRQLNZOMNTID-AHSZXGJYSA-N 3 1 327.516 3.112 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294921574 308271879 /nfs/dbraw/zinc/27/18/79/308271879.db2.gz FRIRQLNZOMNTID-AHSZXGJYSA-N 3 1 327.516 3.112 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294921574 308271881 /nfs/dbraw/zinc/27/18/81/308271881.db2.gz FRIRQLNZOMNTID-AHSZXGJYSA-N 3 1 327.516 3.112 20 0 EGADMP CSc1ccc([C@@H](C[NH2+]C2CC[NH+](C(C)C)CC2)N(C)C)cc1 ZINC000294926711 308272412 /nfs/dbraw/zinc/27/24/12/308272412.db2.gz HEXTVCXAYXTGMT-LJQANCHMSA-N 2 1 335.561 3.474 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(F)ncc1F ZINC000295588533 308341108 /nfs/dbraw/zinc/34/11/08/308341108.db2.gz DZRCYDHUINBKCQ-KDOFPFPSSA-N 2 1 331.410 3.360 20 0 EGADMP C[C@@H](c1ccccc1Cl)[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414675276 309094998 /nfs/dbraw/zinc/09/49/98/309094998.db2.gz LUPIUXZDRIVIRO-LSDHHAIUSA-N 2 1 349.906 3.063 20 0 EGADMP C[C@H]1C[C@@H](C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414682428 309095310 /nfs/dbraw/zinc/09/53/10/309095310.db2.gz REJZNOVXLXNDDY-WMZOPIPTSA-N 2 1 335.923 3.236 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3c(Br)ccc(F)c3C2)CC[NH2+]1 ZINC000414719112 309097351 /nfs/dbraw/zinc/09/73/51/309097351.db2.gz XIWCFZBFXYBAGD-NEPJUHHUSA-N 2 1 341.268 3.334 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)CC[NH2+]1 ZINC000414732504 309097950 /nfs/dbraw/zinc/09/79/50/309097950.db2.gz AIQFMPAWDQGNBO-CPUCHLNUSA-N 2 1 340.414 3.049 20 0 EGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414738024 309098119 /nfs/dbraw/zinc/09/81/19/309098119.db2.gz AXLVZWAIOMQHCV-NJAFHUGGSA-N 2 1 326.488 3.197 20 0 EGADMP FC(F)(F)Oc1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414772077 309100033 /nfs/dbraw/zinc/10/00/33/309100033.db2.gz BGADOOIEZQWQOG-GJZGRUSLSA-N 2 1 328.378 3.407 20 0 EGADMP Clc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414768611 309099706 /nfs/dbraw/zinc/09/97/06/309099706.db2.gz MAOHDFSTBUSITA-GASCZTMLSA-N 2 1 330.863 3.162 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(OC(F)F)c1 ZINC000414776665 309100313 /nfs/dbraw/zinc/10/03/13/309100313.db2.gz HIOCXARPMZEYBZ-ZIAGYGMSSA-N 2 1 340.414 3.118 20 0 EGADMP Fc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414783240 309100771 /nfs/dbraw/zinc/10/07/71/309100771.db2.gz PRSZYGLLJDJRTI-IRXDYDNUSA-N 2 1 331.479 3.247 20 0 EGADMP Brc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414783603 309100912 /nfs/dbraw/zinc/10/09/12/309100912.db2.gz QDJCQQJWDXVZMY-NWDGAFQWSA-N 2 1 329.307 3.332 20 0 EGADMP COc1ccc2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)sc2c1 ZINC000414788493 309101285 /nfs/dbraw/zinc/10/12/85/309101285.db2.gz WQAACEUGHILGRV-KBPBESRZSA-N 2 1 331.485 3.126 20 0 EGADMP COc1ccc(C[C@H](C)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1F ZINC000414788132 309101324 /nfs/dbraw/zinc/10/13/24/309101324.db2.gz WIBINTIQPVTFIF-JQHSSLGASA-N 2 1 334.479 3.334 20 0 EGADMP COc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)ccc1OCc1ccc(F)cc1 ZINC000414789836 309101438 /nfs/dbraw/zinc/10/14/38/309101438.db2.gz FVGQFCDFQOKYDK-SFHVURJKSA-N 2 1 346.446 3.486 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C1CC[NH2+]CC1 ZINC000414791371 309101600 /nfs/dbraw/zinc/10/16/00/309101600.db2.gz QHKSZJIECQUIIW-UHFFFAOYSA-N 2 1 332.879 3.043 20 0 EGADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2c(c1)OCCO2 ZINC000298242605 308596593 /nfs/dbraw/zinc/59/65/93/308596593.db2.gz CLFGHKMVBOEMJT-HXUWFJFHSA-N 2 1 330.472 3.371 20 0 EGADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CC2)ccc1OCc1ccc(F)cc1 ZINC000414796566 309101968 /nfs/dbraw/zinc/10/19/68/309101968.db2.gz HTIIYBCDAZEKIZ-GOSISDBHSA-N 2 1 344.430 3.240 20 0 EGADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298603508 308627518 /nfs/dbraw/zinc/62/75/18/308627518.db2.gz ZJJURENPNZCFRZ-KZNAEPCWSA-N 3 1 330.520 3.006 20 0 EGADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000414832681 309104427 /nfs/dbraw/zinc/10/44/27/309104427.db2.gz FONASCOHVATAGY-CQSZACIVSA-N 2 1 333.863 3.259 20 0 EGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)C1CCCCC1 ZINC000414838347 309104869 /nfs/dbraw/zinc/10/48/69/309104869.db2.gz KKXGYUNUZPDSOI-VQTJNVASSA-N 2 1 332.488 3.242 20 0 EGADMP COc1cccc2c(NC[C@H](O)C[NH+]3CCC(C)CC3)cc(C)[nH+]c12 ZINC000301670293 308709980 /nfs/dbraw/zinc/70/99/80/308709980.db2.gz NOMMMPMHCNSYRJ-INIZCTEOSA-N 2 1 343.471 3.057 20 0 EGADMP CC1CC[NH+](Cc2ccccc2CNc2nc(N(C)C)cc[nH+]2)CC1 ZINC000301717197 308712294 /nfs/dbraw/zinc/71/22/94/308712294.db2.gz HJSCMNFPSNBKQF-UHFFFAOYSA-N 2 1 339.487 3.387 20 0 EGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390423886 308900927 /nfs/dbraw/zinc/90/09/27/308900927.db2.gz SYOQKTWUMPWAJO-FXAWDEMLSA-N 2 1 326.488 3.332 20 0 EGADMP COc1cc2[nH+]ccc(N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)c2cc1OC ZINC000413191400 309020570 /nfs/dbraw/zinc/02/05/70/309020570.db2.gz GUDRSKDBCBCWND-WMLDXEAASA-N 2 1 341.455 3.173 20 0 EGADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000414849684 309105464 /nfs/dbraw/zinc/10/54/64/309105464.db2.gz YAYQBHYMNDHMPJ-CYBMUJFWSA-N 2 1 334.895 3.147 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC2([NH3+])CCC2)c1 ZINC000414901251 309108174 /nfs/dbraw/zinc/10/81/74/309108174.db2.gz JKWXMGLGDLECFA-UHFFFAOYSA-N 2 1 341.459 3.058 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000414951830 309111144 /nfs/dbraw/zinc/11/11/44/309111144.db2.gz HLDZOSYLWFJFAI-AGHHOFFYSA-N 2 1 335.495 3.299 20 0 EGADMP CCCOc1ccc(Br)cc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414958227 309111458 /nfs/dbraw/zinc/11/14/58/309111458.db2.gz WKAQJISEWFBBER-WFASDCNBSA-N 2 1 341.293 3.468 20 0 EGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000414998507 309113465 /nfs/dbraw/zinc/11/34/65/309113465.db2.gz QVPDWKVBBNZBEI-YHBQWLBYSA-N 3 1 339.527 3.003 20 0 EGADMP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000415027188 309115137 /nfs/dbraw/zinc/11/51/37/309115137.db2.gz VTZKOOOFWWPOGL-ISMARYCFSA-N 3 1 341.543 3.252 20 0 EGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000415055634 309116927 /nfs/dbraw/zinc/11/69/27/309116927.db2.gz ONEFABXHVDNQJN-CQSZACIVSA-N 2 1 336.277 3.460 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)N2CCCCC2)cc1 ZINC000415074466 309118567 /nfs/dbraw/zinc/11/85/67/309118567.db2.gz ACGBNVFNZLMSCN-DSKINZAPSA-N 2 1 345.531 3.342 20 0 EGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000415083576 309118972 /nfs/dbraw/zinc/11/89/72/309118972.db2.gz PXWZPMHTIXBHFZ-DZGCQCFKSA-N 2 1 345.409 3.423 20 0 EGADMP FC(F)(F)COc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415084592 309119197 /nfs/dbraw/zinc/11/91/97/309119197.db2.gz OXDQEZKYZGNOOP-RBSFLKMASA-N 2 1 343.393 3.033 20 0 EGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000415125349 309122170 /nfs/dbraw/zinc/12/21/70/309122170.db2.gz DKPQYNZOMZGSQT-UHFFFAOYSA-N 2 1 334.485 3.377 20 0 EGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000415125349 309122171 /nfs/dbraw/zinc/12/21/71/309122171.db2.gz DKPQYNZOMZGSQT-UHFFFAOYSA-N 2 1 334.485 3.377 20 0 EGADMP Cc1cc(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cn2cc[nH+]c12 ZINC000415756144 309143233 /nfs/dbraw/zinc/14/32/33/309143233.db2.gz LDJICXRYIUSJHQ-KRWDZBQOSA-N 2 1 337.427 3.244 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415880490 309145786 /nfs/dbraw/zinc/14/57/86/309145786.db2.gz FVKJOMCKHQCSPY-INIZCTEOSA-N 2 1 344.503 3.108 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000415927924 309149237 /nfs/dbraw/zinc/14/92/37/309149237.db2.gz DWASGMIBPCEHRF-CVEARBPZSA-N 2 1 332.492 3.181 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)NCCC[N@@H+](C)C2CCCCC2)cc1 ZINC000415989556 309153240 /nfs/dbraw/zinc/15/32/40/309153240.db2.gz LMVZJXVQNZFBBB-UHFFFAOYSA-N 2 1 332.492 3.182 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000416153831 309161144 /nfs/dbraw/zinc/16/11/44/309161144.db2.gz GBTWHJQVPKYYPX-NZSAHSFTSA-N 2 1 331.504 3.011 20 0 EGADMP CC[NH2+]CC1CC[NH+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000420290395 309279669 /nfs/dbraw/zinc/27/96/69/309279669.db2.gz LYSVNDHQWOOULR-UHFFFAOYSA-N 2 1 332.879 3.347 20 0 EGADMP COc1ccc(CC[C@@H]2CCCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000420300377 309280067 /nfs/dbraw/zinc/28/00/67/309280067.db2.gz KFAFHQYAXIMDLZ-OALUTQOASA-N 2 1 346.515 3.491 20 0 EGADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)s1 ZINC000420305316 309280709 /nfs/dbraw/zinc/28/07/09/309280709.db2.gz PJGLWIVXHHYJBM-KSZLIROESA-N 2 1 330.497 3.124 20 0 EGADMP CCc1ccccc1C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000420308501 309280876 /nfs/dbraw/zinc/28/08/76/309280876.db2.gz KHVNGEKCBASUNW-LJQANCHMSA-N 2 1 338.499 3.127 20 0 EGADMP CCc1ccccc1C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000420308501 309280877 /nfs/dbraw/zinc/28/08/77/309280877.db2.gz KHVNGEKCBASUNW-LJQANCHMSA-N 2 1 338.499 3.127 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CCC[C@H](CC[NH3+])C3)CCC2)c1 ZINC000420308922 309281087 /nfs/dbraw/zinc/28/10/87/309281087.db2.gz KUXJCHIRMPACDJ-GOSISDBHSA-N 2 1 346.515 3.443 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000420312679 309281359 /nfs/dbraw/zinc/28/13/59/309281359.db2.gz IHJPGMASRBCARD-QKLQHJQFSA-N 2 1 337.467 3.344 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000420312679 309281360 /nfs/dbraw/zinc/28/13/60/309281360.db2.gz IHJPGMASRBCARD-QKLQHJQFSA-N 2 1 337.467 3.344 20 0 EGADMP COc1ccc(C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000420315435 309281517 /nfs/dbraw/zinc/28/15/17/309281517.db2.gz LUAHAWZKPITURU-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP c1sc(Nc2ccccc2)nc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420315777 309281627 /nfs/dbraw/zinc/28/16/27/309281627.db2.gz MLIFEJKYMMPCNY-MRXNPFEDSA-N 2 1 342.512 3.130 20 0 EGADMP c1sc(Nc2ccccc2)nc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420322741 309282043 /nfs/dbraw/zinc/28/20/43/309282043.db2.gz FFJMLFAKJOLBFN-HOTGVXAUSA-N 2 1 342.512 3.130 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CCOc2cccc(C)c2)cc1 ZINC000420325110 309282383 /nfs/dbraw/zinc/28/23/83/309282383.db2.gz WHPYMRZUGWFALR-SFHVURJKSA-N 2 1 328.456 3.057 20 0 EGADMP c1csc(-c2noc(CCC[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420334806 309282884 /nfs/dbraw/zinc/28/28/84/309282884.db2.gz GNINZORRZPDGEK-LSDHHAIUSA-N 2 1 346.500 3.052 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2Cc3ccccc3OC[C@@H]2C)cc1 ZINC000420367633 309284587 /nfs/dbraw/zinc/28/45/87/309284587.db2.gz HGHKCPQKTMVBIN-YJBOKZPZSA-N 2 1 326.440 3.021 20 0 EGADMP [NH3+]C[C@@H]([NH2+]CCC(=O)N[C@H]1CCCc2ccccc21)C1CCCCC1 ZINC000420368642 309284607 /nfs/dbraw/zinc/28/46/07/309284607.db2.gz NVRKKBDZYKDFLW-VQTJNVASSA-N 2 1 343.515 3.068 20 0 EGADMP FC(F)(F)c1ccc([C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420378835 309285236 /nfs/dbraw/zinc/28/52/36/309285236.db2.gz UQQZAAZXUWAMJE-YOEHRIQHSA-N 2 1 342.405 3.468 20 0 EGADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000420381787 309285442 /nfs/dbraw/zinc/28/54/42/309285442.db2.gz ZKBJURLJHBAXTI-UVWXRNBGSA-N 2 1 344.286 3.298 20 0 EGADMP FC(F)Oc1cccc([C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)c1 ZINC000420382889 309285514 /nfs/dbraw/zinc/28/55/14/309285514.db2.gz YYTMPQZAQSTNIT-QGZVFWFLSA-N 2 1 340.414 3.051 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420400165 309286474 /nfs/dbraw/zinc/28/64/74/309286474.db2.gz IJKQCZWHCWLCPZ-OLZOCXBDSA-N 2 1 332.469 3.105 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420400165 309286475 /nfs/dbraw/zinc/28/64/75/309286475.db2.gz IJKQCZWHCWLCPZ-OLZOCXBDSA-N 2 1 332.469 3.105 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1 ZINC000420413097 309287104 /nfs/dbraw/zinc/28/71/04/309287104.db2.gz ZRAGIXFKUYRUTB-PBHICJAKSA-N 2 1 335.879 3.133 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](CC(F)(F)F)C2)CC1 ZINC000420943676 309302952 /nfs/dbraw/zinc/30/29/52/309302952.db2.gz ILYNJPWWBPKCBC-MRXNPFEDSA-N 2 1 335.458 3.067 20 0 EGADMP C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420964670 309304571 /nfs/dbraw/zinc/30/45/71/309304571.db2.gz NZAUFODBLCOPLD-YOEHRIQHSA-N 2 1 342.405 3.292 20 0 EGADMP C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420964670 309304572 /nfs/dbraw/zinc/30/45/72/309304572.db2.gz NZAUFODBLCOPLD-YOEHRIQHSA-N 2 1 342.405 3.292 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3ccccc3F)CC2)CC1 ZINC000420983320 309305734 /nfs/dbraw/zinc/30/57/34/309305734.db2.gz QLQZKODXQPYWED-KRWDZBQOSA-N 2 1 333.495 3.379 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000421003600 309306801 /nfs/dbraw/zinc/30/68/01/309306801.db2.gz FISZQWWYLFUEPP-NVXWUHKLSA-N 2 1 335.492 3.271 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000421003600 309306802 /nfs/dbraw/zinc/30/68/02/309306802.db2.gz FISZQWWYLFUEPP-NVXWUHKLSA-N 2 1 335.492 3.271 20 0 EGADMP CCOc1cccc(C[N@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000421366597 309320798 /nfs/dbraw/zinc/32/07/98/309320798.db2.gz CSKLCVFZKWNTQQ-UHFFFAOYSA-N 2 1 345.531 3.077 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](C)c3ccc(F)cc3)CC2)CC1 ZINC000421369842 309321085 /nfs/dbraw/zinc/32/10/85/309321085.db2.gz IAMBHZDVPWZBLE-GOSISDBHSA-N 2 1 347.522 3.421 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421825799 309341845 /nfs/dbraw/zinc/34/18/45/309341845.db2.gz PICJKDXFJVGBKZ-RBBKRZOGSA-N 2 1 349.522 3.483 20 0 EGADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)C3(OC)CCCC3)CCCC2)CC1 ZINC000421835633 309342470 /nfs/dbraw/zinc/34/24/70/309342470.db2.gz QCZSHWQHEFHUJV-KRWDZBQOSA-N 2 1 338.536 3.347 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1Br ZINC000423270832 309393276 /nfs/dbraw/zinc/39/32/76/309393276.db2.gz WZXHMZXOWHPKDI-WCQYABFASA-N 2 1 329.282 3.482 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C[C@@H]1C[NH3+] ZINC000422638006 309363288 /nfs/dbraw/zinc/36/32/88/309363288.db2.gz PUDSHODAYNDAEY-NFAWXSAZSA-N 2 1 348.878 3.238 20 0 EGADMP COc1ccccc1[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)[NH+]1CCCCC1 ZINC000422714104 309364455 /nfs/dbraw/zinc/36/44/55/309364455.db2.gz QSRGBIMQSMWMAT-SXLOBPIMSA-N 2 1 345.531 3.200 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422718778 309364785 /nfs/dbraw/zinc/36/47/85/309364785.db2.gz QAXYSIQIXODZME-YUMYIRISSA-N 3 1 341.543 3.061 20 0 EGADMP c1ccc(CC[N@@H+]2CC[C@H](CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422718778 309364786 /nfs/dbraw/zinc/36/47/86/309364786.db2.gz QAXYSIQIXODZME-YUMYIRISSA-N 2 1 341.543 3.061 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422718778 309364787 /nfs/dbraw/zinc/36/47/87/309364787.db2.gz QAXYSIQIXODZME-YUMYIRISSA-N 2 1 341.543 3.061 20 0 EGADMP Fc1ccc(F)c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422733595 309365630 /nfs/dbraw/zinc/36/56/30/309365630.db2.gz BLRLKVJULLIXCB-MJGOQNOKSA-N 2 1 330.378 3.310 20 0 EGADMP OC[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)Cc1ccc(F)cc1 ZINC000422752688 309366654 /nfs/dbraw/zinc/36/66/54/309366654.db2.gz FCXPINQDDXUHAQ-WMQCIHAUSA-N 2 1 342.458 3.060 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422757117 309366851 /nfs/dbraw/zinc/36/68/51/309366851.db2.gz JMMLDVWSMBBLAD-OWCLPIDISA-N 2 1 332.536 3.256 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC000422757117 309366852 /nfs/dbraw/zinc/36/68/52/309366852.db2.gz JMMLDVWSMBBLAD-OWCLPIDISA-N 2 1 332.536 3.256 20 0 EGADMP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cnn1-c1ccc(F)cc1 ZINC000422778041 309367898 /nfs/dbraw/zinc/36/78/98/309367898.db2.gz GZHJXVYQFOVESX-AJSFGMTHSA-N 2 1 328.435 3.253 20 0 EGADMP CCc1cnc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000422795423 309368591 /nfs/dbraw/zinc/36/85/91/309368591.db2.gz VMSMFOPGMFWOSB-CRAIPNDOSA-N 2 1 329.469 3.051 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000422829020 309370730 /nfs/dbraw/zinc/37/07/30/309370730.db2.gz UHUMJMXSGQEBKU-IPJJNNNSSA-N 2 1 339.527 3.445 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000422838769 309371057 /nfs/dbraw/zinc/37/10/57/309371057.db2.gz XZMKFZWJSCZMBS-VLCRHTCISA-N 2 1 337.511 3.199 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(OCC2CC2)c1 ZINC000422870241 309372916 /nfs/dbraw/zinc/37/29/16/309372916.db2.gz XFNRSEVONLPXBA-VAMGGRTRSA-N 2 1 344.499 3.031 20 0 EGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422931399 309376758 /nfs/dbraw/zinc/37/67/58/309376758.db2.gz XPOWIQPHEHQJSF-OALUTQOASA-N 2 1 329.488 3.062 20 0 EGADMP C[C@H]1C[C@H](CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000423002248 309380378 /nfs/dbraw/zinc/38/03/78/309380378.db2.gz JEYKRPNFUYSFQG-ZFMNYDKASA-N 3 1 329.532 3.265 20 0 EGADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423029041 309381728 /nfs/dbraw/zinc/38/17/28/309381728.db2.gz HMHLZEBGGVGIEY-AYWYSENESA-N 3 1 329.532 3.394 20 0 EGADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423029044 309381863 /nfs/dbraw/zinc/38/18/63/309381863.db2.gz HMHLZEBGGVGIEY-GFOJFJKKSA-N 3 1 329.532 3.394 20 0 EGADMP C[NH+](C)[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423047232 309382738 /nfs/dbraw/zinc/38/27/38/309382738.db2.gz GVRRHCFHUJLZKW-BHYGNILZSA-N 2 1 343.437 3.415 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423083389 309384931 /nfs/dbraw/zinc/38/49/31/309384931.db2.gz FZCVSNZKWLUROY-NYVOZVTQSA-N 2 1 337.511 3.057 20 0 EGADMP OCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)c(Cl)c1 ZINC000423112296 309386758 /nfs/dbraw/zinc/38/67/58/309386758.db2.gz RYMUINRBGONULS-TUURBPCVSA-N 2 1 329.271 3.290 20 0 EGADMP c1ccc([C@@H]2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423159098 309388743 /nfs/dbraw/zinc/38/87/43/309388743.db2.gz OTCXVTQXRVPUDH-FDKIHUSFSA-N 2 1 328.500 3.317 20 0 EGADMP C[NH2+]CCC[NH2+][C@H](c1ccc(OC)cc1Br)C(C)C ZINC000423201423 309390274 /nfs/dbraw/zinc/39/02/74/309390274.db2.gz OPWNMROLEFQZPC-HNNXBMFYSA-N 2 1 329.282 3.354 20 0 EGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423259996 309392848 /nfs/dbraw/zinc/39/28/48/309392848.db2.gz GKIFYHLWCFRUPD-FZKQIMNGSA-N 2 1 329.488 3.475 20 0 EGADMP CC(C)[C@H]([NH3+])CN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423284084 309393949 /nfs/dbraw/zinc/39/39/49/309393949.db2.gz XPVKZYHOBSPNPJ-XRXFAXGQSA-N 3 1 329.532 3.250 20 0 EGADMP C[C@H](C[NH3+])C[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000423301079 309394448 /nfs/dbraw/zinc/39/44/48/309394448.db2.gz FJOXHKWNSCXJQM-BFUOFWGJSA-N 2 1 346.858 3.385 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000423308900 309394678 /nfs/dbraw/zinc/39/46/78/309394678.db2.gz PENYUFFWCGMJQW-ACJLOTCBSA-N 2 1 345.874 3.392 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423322344 309395243 /nfs/dbraw/zinc/39/52/43/309395243.db2.gz GYNWZLCGLXWPLE-HKUYNNGSSA-N 2 1 345.531 3.483 20 0 EGADMP CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@H](C)[NH3+] ZINC000423337651 309395946 /nfs/dbraw/zinc/39/59/46/309395946.db2.gz RGEJMFWKIXUPRX-UWVAXJGDSA-N 2 1 345.531 3.154 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]([NH3+])C1CCC1)C1CCCCC1 ZINC000423345636 309396428 /nfs/dbraw/zinc/39/64/28/309396428.db2.gz FZFOHLIWSZINTF-FQEVSTJZSA-N 2 1 343.515 3.195 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000423365432 309397177 /nfs/dbraw/zinc/39/71/77/309397177.db2.gz BGFAPEHJWCBPJW-GPCCPHFNSA-N 2 1 327.241 3.435 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccccc2CC[NH2+]C)C1 ZINC000423403455 309398790 /nfs/dbraw/zinc/39/87/90/309398790.db2.gz HRWWALFKIAWDJN-KRWDZBQOSA-N 2 1 345.531 3.079 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3c2CCCN3)[C@H](C)C1 ZINC000423418046 309399388 /nfs/dbraw/zinc/39/93/88/309399388.db2.gz UBPHWFRTOLSEHA-YLJYHZDGSA-N 2 1 345.531 3.271 20 0 EGADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Br)cc1C(F)(F)F ZINC000423440023 309400552 /nfs/dbraw/zinc/40/05/52/309400552.db2.gz SUBMAHUYXQLLSS-XDRUHAPNSA-N 2 1 349.194 3.336 20 0 EGADMP COC(=O)CC1CC([NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000424323821 309438724 /nfs/dbraw/zinc/43/87/24/309438724.db2.gz WHFRKJFZIARLJO-LYGPFTKASA-N 2 1 330.472 3.143 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449107778 310037650 /nfs/dbraw/zinc/03/76/50/310037650.db2.gz NSNAAYOGYVCCBE-UHFFFAOYSA-N 2 1 326.469 3.223 20 0 EGADMP O[C@@]1(C[NH2+]Cc2cccc3ccoc32)CC[N@H+](Cc2ccccc2)C1 ZINC000449164852 310041605 /nfs/dbraw/zinc/04/16/05/310041605.db2.gz RNOCUNHAGHIJED-OAQYLSRUSA-N 2 1 336.435 3.159 20 0 EGADMP O[C@@]1(C[NH2+]Cc2cccc3ccoc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000449164852 310041606 /nfs/dbraw/zinc/04/16/06/310041606.db2.gz RNOCUNHAGHIJED-OAQYLSRUSA-N 2 1 336.435 3.159 20 0 EGADMP COC[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccc(Cl)cc1 ZINC000449478409 310065389 /nfs/dbraw/zinc/06/53/89/310065389.db2.gz KCQDFADYNRUECN-INIZCTEOSA-N 2 1 333.863 3.321 20 0 EGADMP CCCc1ccc2[nH+]ccc(N3CCC([N@@H+](C)CCCO)CC3)c2c1 ZINC000450339728 310116439 /nfs/dbraw/zinc/11/64/39/310116439.db2.gz RSJIPOSUWNFMQJ-UHFFFAOYSA-N 2 1 341.499 3.470 20 0 EGADMP C[C@@H]1C[N@@H+](CC23CC4CC(CC(C4)C2)C3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000450638215 310134258 /nfs/dbraw/zinc/13/42/58/310134258.db2.gz BLOMKOQHCHSJCH-CYJPLVAVSA-N 2 1 345.575 3.161 20 0 EGADMP CCC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000453055608 310254602 /nfs/dbraw/zinc/25/46/02/310254602.db2.gz DUHKDITZCZYKBX-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP c1cnn(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000453062402 310255352 /nfs/dbraw/zinc/25/53/52/310255352.db2.gz DOYXNERHHNCYNY-QHAWAJNXSA-N 2 1 338.499 3.306 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCCOC3)[C@H]3CCC[C@H]32)cc1 ZINC000453070928 310255973 /nfs/dbraw/zinc/25/59/73/310255973.db2.gz PYKUEEGRMGKFCO-JSXRDJHFSA-N 2 1 328.500 3.446 20 0 EGADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccncc1 ZINC000453197567 310263509 /nfs/dbraw/zinc/26/35/09/310263509.db2.gz NEVGIHOXPKVPBS-NHCUHLMSSA-N 2 1 339.483 3.279 20 0 EGADMP OC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCC1 ZINC000453217840 310264694 /nfs/dbraw/zinc/26/46/94/310264694.db2.gz UWQHAGHNPHYLOF-AQNXPRMDSA-N 2 1 328.500 3.324 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccn2)[C@H](C)C1 ZINC000453297661 310269750 /nfs/dbraw/zinc/26/97/50/310269750.db2.gz VEMBLAOPXDRCKP-MSOLQXFVSA-N 2 1 333.520 3.086 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455933210 310382655 /nfs/dbraw/zinc/38/26/55/310382655.db2.gz QLTYFQNQVSQWAF-RDTXWAMCSA-N 2 1 332.492 3.087 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@H+]1C ZINC000455945511 310383065 /nfs/dbraw/zinc/38/30/65/310383065.db2.gz WCWADIWORZIBCI-BJZITVGISA-N 2 1 344.503 3.182 20 0 EGADMP COCC[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(C(F)(F)F)c1 ZINC000459526205 310558554 /nfs/dbraw/zinc/55/85/54/310558554.db2.gz YFEYCZNCISGYOH-INIZCTEOSA-N 2 1 341.377 3.349 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000474478312 310794416 /nfs/dbraw/zinc/79/44/16/310794416.db2.gz OMKUOFSMQLZMQO-IAGOWNOFSA-N 2 1 344.478 3.469 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+][C@H](C)C[NH+]2CCCCCC2)cc1OC ZINC000480678137 310899165 /nfs/dbraw/zinc/89/91/65/310899165.db2.gz SGTMLHSPWMECNY-IAGOWNOFSA-N 2 1 334.504 3.489 20 0 EGADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000487190835 311014802 /nfs/dbraw/zinc/01/48/02/311014802.db2.gz BOMNBHRDQVCIOB-VDGAXYAQSA-N 2 1 343.515 3.201 20 0 EGADMP CSc1cc(Br)ccc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000491589715 311185914 /nfs/dbraw/zinc/18/59/14/311185914.db2.gz TWJBZQCVOYAFNO-NSHDSACASA-N 2 1 331.323 3.458 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000506263065 312045893 /nfs/dbraw/zinc/04/58/93/312045893.db2.gz HWJIYHZBYZLUDP-PZJWPPBQSA-N 2 1 345.531 3.324 20 0 EGADMP FC(F)(F)CC[NH+]1CCC(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000507494618 312074983 /nfs/dbraw/zinc/07/49/83/312074983.db2.gz KDXDMSUQOZXFGG-QGZVFWFLSA-N 2 1 347.469 3.257 20 0 EGADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512665912 312191402 /nfs/dbraw/zinc/19/14/02/312191402.db2.gz IAXGUWCWENBJCF-AYZHRIAMSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000516829588 312343641 /nfs/dbraw/zinc/34/36/41/312343641.db2.gz LOXBBZGGTCOLQM-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CSc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)s1 ZINC000517207025 312367626 /nfs/dbraw/zinc/36/76/26/312367626.db2.gz DJRYMDDPENGLQM-HNNXBMFYSA-N 2 1 339.574 3.070 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C[C@H](c2ccccc2)C1 ZINC000521643251 312554759 /nfs/dbraw/zinc/55/47/59/312554759.db2.gz AVPWJHGWSHJSLE-DFQSSKMNSA-N 2 1 330.516 3.395 20 0 EGADMP Cc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1Cl ZINC000524147654 312646934 /nfs/dbraw/zinc/64/69/34/312646934.db2.gz ZIFCPGDQVYXIPX-UHFFFAOYSA-N 2 1 344.846 3.048 20 0 EGADMP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccsc1 ZINC000531710465 313704522 /nfs/dbraw/zinc/70/45/22/313704522.db2.gz NPWGXKIVIBYEKT-VQIMIIECSA-N 2 1 329.513 3.387 20 0 EGADMP CCc1ccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)s1 ZINC000535817572 314077097 /nfs/dbraw/zinc/07/70/97/314077097.db2.gz ICMPYZKDDJHXFY-IAGOWNOFSA-N 2 1 335.561 3.301 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000537095598 314161175 /nfs/dbraw/zinc/16/11/75/314161175.db2.gz GUNKOHYENQCAKY-JENIJYKNSA-N 2 1 326.488 3.371 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000537939228 314218260 /nfs/dbraw/zinc/21/82/60/314218260.db2.gz IIZNNKKMQOXRFM-QCFAMHMHSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[NH+](C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000537939228 314218263 /nfs/dbraw/zinc/21/82/63/314218263.db2.gz IIZNNKKMQOXRFM-QCFAMHMHSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[NH+](C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000537939228 314218264 /nfs/dbraw/zinc/21/82/64/314218264.db2.gz IIZNNKKMQOXRFM-QCFAMHMHSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCN(C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000537939228 314218266 /nfs/dbraw/zinc/21/82/66/314218266.db2.gz IIZNNKKMQOXRFM-QCFAMHMHSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCN(C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000537939228 314218269 /nfs/dbraw/zinc/21/82/69/314218269.db2.gz IIZNNKKMQOXRFM-QCFAMHMHSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000537951788 314219680 /nfs/dbraw/zinc/21/96/80/314219680.db2.gz BTXJTASSDFHLQT-HWOWSKLDSA-N 2 1 336.442 3.323 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000537951788 314219682 /nfs/dbraw/zinc/21/96/82/314219682.db2.gz BTXJTASSDFHLQT-HWOWSKLDSA-N 2 1 336.442 3.323 20 0 EGADMP CC[NH+]1CCC([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000538196646 314231792 /nfs/dbraw/zinc/23/17/92/314231792.db2.gz TZZAQSOFONZSNI-UYAOXDASSA-N 3 1 329.532 3.361 20 0 EGADMP CCN1CCC([NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000538196646 314231794 /nfs/dbraw/zinc/23/17/94/314231794.db2.gz TZZAQSOFONZSNI-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP CCN1CCC([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000538196646 314231797 /nfs/dbraw/zinc/23/17/97/314231797.db2.gz TZZAQSOFONZSNI-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP C[NH+](C)CCOc1cccc(NC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC000548716965 315038809 /nfs/dbraw/zinc/03/88/09/315038809.db2.gz QOTBRKBEHJPTGB-UHFFFAOYSA-N 2 1 347.503 3.220 20 0 EGADMP C[NH+](C)Cc1ccc(CNC(=O)CC[N@@H+](C)C2CCCCC2)cc1F ZINC000548720848 315039188 /nfs/dbraw/zinc/03/91/88/315039188.db2.gz YEVSKWASPNWLSI-UHFFFAOYSA-N 2 1 349.494 3.158 20 0 EGADMP Cc1sccc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000550080852 315115590 /nfs/dbraw/zinc/11/55/90/315115590.db2.gz ZBWFXARPTYFFAY-MRXNPFEDSA-N 2 1 335.542 3.196 20 0 EGADMP Cc1cccc(C)c1NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000551908436 315177256 /nfs/dbraw/zinc/17/72/56/315177256.db2.gz RXBXYUMGZFPHQI-UHFFFAOYSA-N 2 1 331.504 3.294 20 0 EGADMP Cc1cccc(C)c1NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000551908436 315177259 /nfs/dbraw/zinc/17/72/59/315177259.db2.gz RXBXYUMGZFPHQI-UHFFFAOYSA-N 2 1 331.504 3.294 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000552098651 315197719 /nfs/dbraw/zinc/19/77/19/315197719.db2.gz KQNYLTFASRUXID-JBACZVJFSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CCC[C@H]1CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552098651 315197721 /nfs/dbraw/zinc/19/77/21/315197721.db2.gz KQNYLTFASRUXID-JBACZVJFSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CCC[C@H]1CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000552098651 315197723 /nfs/dbraw/zinc/19/77/23/315197723.db2.gz KQNYLTFASRUXID-JBACZVJFSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1CCC[C@]1(O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552406594 315218486 /nfs/dbraw/zinc/21/84/86/315218486.db2.gz FHQKPIIALQCWEE-RQSWOZRGSA-N 2 1 328.500 3.038 20 0 EGADMP C[C@@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[NH+]1CC(C)C1 ZINC000552979882 315239308 /nfs/dbraw/zinc/23/93/08/315239308.db2.gz DYTSOLBVCDWLNU-ROUUACIJSA-N 2 1 343.515 3.017 20 0 EGADMP CCC[N@@H+](C)[C@@H](CNC(=O)C[NH+](C)C(C)C)c1ccc(Cl)cc1 ZINC000553016665 315241825 /nfs/dbraw/zinc/24/18/25/315241825.db2.gz CXWSOYDWMGQZFE-KRWDZBQOSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000553016665 315241828 /nfs/dbraw/zinc/24/18/28/315241828.db2.gz CXWSOYDWMGQZFE-KRWDZBQOSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000553016665 315241830 /nfs/dbraw/zinc/24/18/30/315241830.db2.gz CXWSOYDWMGQZFE-KRWDZBQOSA-N 2 1 339.911 3.179 20 0 EGADMP COc1ccc2nc(CN3CCC[C@H]4C[N@@H+](C)CC[C@H]43)sc2c1 ZINC000554886449 315354569 /nfs/dbraw/zinc/35/45/69/315354569.db2.gz KUZFECNSXKCKRW-XJKSGUPXSA-N 2 1 331.485 3.221 20 0 EGADMP Cc1c2cccc(Cl)c2sc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000555564340 315390980 /nfs/dbraw/zinc/39/09/80/315390980.db2.gz MHWXPQOTLQEWCY-INIZCTEOSA-N 2 1 326.893 3.265 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000563372927 316010045 /nfs/dbraw/zinc/01/00/45/316010045.db2.gz BXSKWDMXGIROFX-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP [NH3+][C@H]1CCCC[C@H]1CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000565028601 316251704 /nfs/dbraw/zinc/25/17/04/316251704.db2.gz JJCVIJPBVVBUMV-RDJZCZTQSA-N 2 1 347.528 3.082 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCCC12CC[NH+](C)CC2)c1ccc(Cl)cc1 ZINC000565166812 316279622 /nfs/dbraw/zinc/27/96/22/316279622.db2.gz ZQNITXQFJUSWMH-KRWDZBQOSA-N 2 1 349.906 3.030 20 0 EGADMP Cc1[nH+]cc(CNCC2([NH2+][C@H](C)c3ccccc3)CCCC2)n1C ZINC000565243473 316298400 /nfs/dbraw/zinc/29/84/00/316298400.db2.gz YPHFWKXBEMAEAL-MRXNPFEDSA-N 2 1 326.488 3.482 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000565770159 316367806 /nfs/dbraw/zinc/36/78/06/316367806.db2.gz HHFSVZRIUWYHJP-TZMCWYRMSA-N 2 1 343.393 3.106 20 0 EGADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(O)c1 ZINC000571368444 317188372 /nfs/dbraw/zinc/18/83/72/317188372.db2.gz WNPHWSBSQSMCBM-MAUKXSAKSA-N 2 1 345.512 3.093 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000571484643 317204996 /nfs/dbraw/zinc/20/49/96/317204996.db2.gz SXMLCMUKPBVCSQ-UHFFFAOYSA-N 2 1 335.467 3.317 20 0 EGADMP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1cc2ccccc2s1 ZINC000571633840 317225898 /nfs/dbraw/zinc/22/58/98/317225898.db2.gz BFEMDCZGWKLRBK-LBPRGKRZSA-N 2 1 341.484 3.337 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccccc1CC ZINC000571690414 317233345 /nfs/dbraw/zinc/23/33/45/317233345.db2.gz YXWNRPRUACUKPX-AEFFLSMTSA-N 2 1 331.504 3.430 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccccc1CC ZINC000571690414 317233346 /nfs/dbraw/zinc/23/33/46/317233346.db2.gz YXWNRPRUACUKPX-AEFFLSMTSA-N 2 1 331.504 3.430 20 0 EGADMP CCCCCOc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000571920733 317266056 /nfs/dbraw/zinc/26/60/56/317266056.db2.gz GGKZLHOKYISSHN-MSOLQXFVSA-N 2 1 332.488 3.306 20 0 EGADMP CCCCCOc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000571920733 317266059 /nfs/dbraw/zinc/26/60/59/317266059.db2.gz GGKZLHOKYISSHN-MSOLQXFVSA-N 2 1 332.488 3.306 20 0 EGADMP C[C@@H]1C[C@@H](N(C)Cc2ncccc2O)CC[N@H+]1Cc1ccccc1 ZINC000572407679 317334112 /nfs/dbraw/zinc/33/41/12/317334112.db2.gz DBLBYHNPEAFOHT-AEFFLSMTSA-N 2 1 325.456 3.272 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ncccc2O)CCN1Cc1ccccc1 ZINC000572407679 317334113 /nfs/dbraw/zinc/33/41/13/317334113.db2.gz DBLBYHNPEAFOHT-AEFFLSMTSA-N 2 1 325.456 3.272 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ncccc2O)CCN1Cc1ccccc1 ZINC000572407679 317334116 /nfs/dbraw/zinc/33/41/16/317334116.db2.gz DBLBYHNPEAFOHT-AEFFLSMTSA-N 2 1 325.456 3.272 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3[C@@H](C)CCC[C@@H]3C)CC2)CC1 ZINC000572421868 317336121 /nfs/dbraw/zinc/33/61/21/317336121.db2.gz LQZSFDDMELHSBN-IRXDYDNUSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000573370158 317475983 /nfs/dbraw/zinc/47/59/83/317475983.db2.gz WHOYWRRRNDDKJV-GJZGRUSLSA-N 2 1 343.475 3.302 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000177902059 323347994 /nfs/dbraw/zinc/34/79/94/323347994.db2.gz VLGQSQYHWCALLZ-WWGRRREGSA-N 2 1 330.394 3.403 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000178102424 323351450 /nfs/dbraw/zinc/35/14/50/323351450.db2.gz PXYAKPIXDISOMC-VKJFTORMSA-N 2 1 332.488 3.460 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000178102424 323351451 /nfs/dbraw/zinc/35/14/51/323351451.db2.gz PXYAKPIXDISOMC-VKJFTORMSA-N 2 1 332.488 3.460 20 0 EGADMP COC1(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000384179850 324259499 /nfs/dbraw/zinc/25/94/99/324259499.db2.gz ZBKQJPYTMRQUCU-XUVXKRRUSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1COc2ccccc2C1 ZINC000398108598 324295727 /nfs/dbraw/zinc/29/57/27/324295727.db2.gz CERZUFOYIPRZAZ-JRGCBEDISA-N 2 1 336.479 3.490 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1COc2ccccc2C1 ZINC000398108598 324295731 /nfs/dbraw/zinc/29/57/31/324295731.db2.gz CERZUFOYIPRZAZ-JRGCBEDISA-N 2 1 336.479 3.490 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000317161721 456616778 /nfs/dbraw/zinc/61/67/78/456616778.db2.gz NAZMQMHPWHKJQP-HNNXBMFYSA-N 2 1 326.868 3.307 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000317161721 456616785 /nfs/dbraw/zinc/61/67/85/456616785.db2.gz NAZMQMHPWHKJQP-HNNXBMFYSA-N 2 1 326.868 3.307 20 0 EGADMP Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000578752045 325012978 /nfs/dbraw/zinc/01/29/78/325012978.db2.gz CMPIQRDPVVITHI-HXUWFJFHSA-N 2 1 339.483 3.151 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000579254484 325085102 /nfs/dbraw/zinc/08/51/02/325085102.db2.gz KZBAOYYEGZAREC-PXNSSMCTSA-N 2 1 326.484 3.109 20 0 EGADMP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000579335086 325096048 /nfs/dbraw/zinc/09/60/48/325096048.db2.gz HMNIBTNWRXFXJM-IAGOWNOFSA-N 2 1 335.879 3.275 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000579335086 325096051 /nfs/dbraw/zinc/09/60/51/325096051.db2.gz HMNIBTNWRXFXJM-IAGOWNOFSA-N 2 1 335.879 3.275 20 0 EGADMP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000579676097 325143157 /nfs/dbraw/zinc/14/31/57/325143157.db2.gz DJTXCFYTFSONKF-PGRDOPGGSA-N 2 1 338.495 3.189 20 0 EGADMP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000579676097 325143160 /nfs/dbraw/zinc/14/31/60/325143160.db2.gz DJTXCFYTFSONKF-PGRDOPGGSA-N 2 1 338.495 3.189 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000580740233 325290617 /nfs/dbraw/zinc/29/06/17/325290617.db2.gz IIMLZCBGMJXZDE-GOSISDBHSA-N 2 1 339.483 3.407 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000581696549 325382979 /nfs/dbraw/zinc/38/29/79/325382979.db2.gz PXIMPWUNAQFMQT-ZIBCJSCZSA-N 2 1 329.532 3.215 20 0 EGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000581696549 325382981 /nfs/dbraw/zinc/38/29/81/325382981.db2.gz PXIMPWUNAQFMQT-ZIBCJSCZSA-N 2 1 329.532 3.215 20 0 EGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000581696549 325382984 /nfs/dbraw/zinc/38/29/84/325382984.db2.gz PXIMPWUNAQFMQT-ZIBCJSCZSA-N 2 1 329.532 3.215 20 0 EGADMP Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]CCCc2c[nH+]cn2C)cc1 ZINC000582309273 325431026 /nfs/dbraw/zinc/43/10/26/325431026.db2.gz XBIGKZVGIQPLFU-LJQANCHMSA-N 2 1 343.471 3.334 20 0 EGADMP OC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000582938209 325481617 /nfs/dbraw/zinc/48/16/17/325481617.db2.gz FDGFWMGMHDCLKU-OAQYLSRUSA-N 2 1 348.506 3.363 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(C(F)(F)F)CCC2)[C@H](C)C1 ZINC000353959364 456979799 /nfs/dbraw/zinc/97/97/99/456979799.db2.gz UORRXGMUHXICGW-CABCVRRESA-N 2 1 336.442 3.446 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000356887952 457200167 /nfs/dbraw/zinc/20/01/67/457200167.db2.gz BYNGCEGMFXDMCT-DOMZBBRYSA-N 2 1 326.868 3.177 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000459663783 458440221 /nfs/dbraw/zinc/44/02/21/458440221.db2.gz GGHHNHVQQXSHHJ-CZUORRHYSA-N 2 1 326.843 3.035 20 0 EGADMP CC[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1)[NH+](CC)CC ZINC000469986932 458604619 /nfs/dbraw/zinc/60/46/19/458604619.db2.gz HYGAPYCZHPCKBW-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CN(CC[N@@H+](C)[C@@H]1CCc2c1cccc2Cl)C1CC[NH+](C)CC1 ZINC000180965198 455269994 /nfs/dbraw/zinc/26/99/94/455269994.db2.gz NZNBOEKSZMHSFJ-LJQANCHMSA-N 2 1 335.923 3.285 20 0 EGADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)co2)c1 ZINC000631827446 460574792 /nfs/dbraw/zinc/57/47/92/460574792.db2.gz OOQXEVFJUSSPLF-IRXDYDNUSA-N 2 1 341.455 3.172 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000076003232 453947629 /nfs/dbraw/zinc/94/76/29/453947629.db2.gz VFFANQZXNZSTLQ-MRXNPFEDSA-N 2 1 344.455 3.383 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000076003232 453947632 /nfs/dbraw/zinc/94/76/32/453947632.db2.gz VFFANQZXNZSTLQ-MRXNPFEDSA-N 2 1 344.455 3.383 20 0 EGADMP C[N@@H+](CCCOCC(F)(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109999 453965384 /nfs/dbraw/zinc/96/53/84/453965384.db2.gz WPQIGUOXUJWLTB-QGZVFWFLSA-N 2 1 344.421 3.409 20 0 EGADMP C[NH+](CCCOCC(F)(F)F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109999 453965388 /nfs/dbraw/zinc/96/53/88/453965388.db2.gz WPQIGUOXUJWLTB-QGZVFWFLSA-N 2 1 344.421 3.409 20 0 EGADMP C[NH+](CCCOCC(F)(F)F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109999 453965391 /nfs/dbraw/zinc/96/53/91/453965391.db2.gz WPQIGUOXUJWLTB-QGZVFWFLSA-N 2 1 344.421 3.409 20 0 EGADMP CC[N@@H+](CCCc1cnn(C)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076155044 453972317 /nfs/dbraw/zinc/97/23/17/453972317.db2.gz GGRRPXCCKAKANV-OAQYLSRUSA-N 2 1 340.515 3.197 20 0 EGADMP CC[NH+](CCCc1cnn(C)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076155044 453972320 /nfs/dbraw/zinc/97/23/20/453972320.db2.gz GGRRPXCCKAKANV-OAQYLSRUSA-N 2 1 340.515 3.197 20 0 EGADMP CC[NH+](CCCc1cnn(C)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076155044 453972325 /nfs/dbraw/zinc/97/23/25/453972325.db2.gz GGRRPXCCKAKANV-OAQYLSRUSA-N 2 1 340.515 3.197 20 0 EGADMP Cc1ccccc1CCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000084677339 454005395 /nfs/dbraw/zinc/00/53/95/454005395.db2.gz XLVGQRIQVYDNFN-OYRHEFFESA-N 2 1 343.559 3.418 20 0 EGADMP CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523588 454064343 /nfs/dbraw/zinc/06/43/43/454064343.db2.gz RNQCNUOSZSEUJB-MRXNPFEDSA-N 2 1 347.503 3.076 20 0 EGADMP COc1ccc([C@H](CNc2cc(C)[nH+]c(C)n2)[NH+]2CCCC2)cc1 ZINC000043532652 454066894 /nfs/dbraw/zinc/06/68/94/454066894.db2.gz ZNKMJBJHUYILJL-SFHVURJKSA-N 2 1 326.444 3.351 20 0 EGADMP COC(=O)c1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1F ZINC000089124567 454123752 /nfs/dbraw/zinc/12/37/52/454123752.db2.gz UMLLPKUIKOACKJ-UHFFFAOYSA-N 2 1 336.451 3.165 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC000057893866 454155477 /nfs/dbraw/zinc/15/54/77/454155477.db2.gz DVKPPJFGKLKALN-WMZOPIPTSA-N 2 1 345.512 3.160 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000046007930 454205546 /nfs/dbraw/zinc/20/55/46/454205546.db2.gz MELMLTPSYSXBAU-KRWDZBQOSA-N 2 1 346.519 3.382 20 0 EGADMP CN(C)CC(C)(C)C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000132123689 454314928 /nfs/dbraw/zinc/31/49/28/454314928.db2.gz FFWZCEHIFCEWRR-UHFFFAOYSA-N 3 1 337.939 3.482 20 0 EGADMP C[N@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)CC1CC[NH+](C)CC1 ZINC000132207686 454321356 /nfs/dbraw/zinc/32/13/56/454321356.db2.gz QZGAJEUWRRBRNM-UHFFFAOYSA-N 2 1 332.879 3.299 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000121432824 454434549 /nfs/dbraw/zinc/43/45/49/454434549.db2.gz ZCXZYVITXSXLIX-ZIAGYGMSSA-N 2 1 340.471 3.408 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000063665554 454434753 /nfs/dbraw/zinc/43/47/53/454434753.db2.gz MTPPGBOMWRJFNW-SFHVURJKSA-N 2 1 343.515 3.277 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000121499647 454443923 /nfs/dbraw/zinc/44/39/23/454443923.db2.gz JVUVUWDEXVGJIL-SJORKVTESA-N 2 1 337.471 3.423 20 0 EGADMP CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000091686666 454457923 /nfs/dbraw/zinc/45/79/23/454457923.db2.gz PTHSUGJFUZRNPP-PBHICJAKSA-N 2 1 325.884 3.356 20 0 EGADMP CC[C@](C)(COc1ncccc1Cl)[NH2+]CCCn1cc[nH+]c1C ZINC000091687892 454458941 /nfs/dbraw/zinc/45/89/41/454458941.db2.gz HRNAXNXMSHFMTR-QGZVFWFLSA-N 2 1 336.867 3.467 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000073649777 454463028 /nfs/dbraw/zinc/46/30/28/454463028.db2.gz RTJYGBOCGHWMNM-UHFFFAOYSA-N 3 1 345.531 3.125 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3ccc4nccnc4c3)C2)cc1 ZINC000634979047 460639329 /nfs/dbraw/zinc/63/93/29/460639329.db2.gz UKCJOIKZCMNERE-LJQANCHMSA-N 2 1 332.451 3.242 20 0 EGADMP CN(C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1ccccc1 ZINC000048565130 454498451 /nfs/dbraw/zinc/49/84/51/454498451.db2.gz DHZFMNDSMVLXFH-UHFFFAOYSA-N 2 1 343.515 3.237 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)cc1)C(C)C ZINC000073987690 454514329 /nfs/dbraw/zinc/51/43/29/454514329.db2.gz NGTNJUZIZZHFPR-UXHICEINSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1)C(C)C ZINC000073987690 454514330 /nfs/dbraw/zinc/51/43/30/454514330.db2.gz NGTNJUZIZZHFPR-UXHICEINSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1)C(C)C ZINC000073987690 454514334 /nfs/dbraw/zinc/51/43/34/454514334.db2.gz NGTNJUZIZZHFPR-UXHICEINSA-N 2 1 343.515 3.226 20 0 EGADMP C[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000092253507 454541766 /nfs/dbraw/zinc/54/17/66/454541766.db2.gz KUTPVNXCNPNREL-CYBMUJFWSA-N 2 1 334.414 3.129 20 0 EGADMP C[N@H+](Cc1c[nH]nc1-c1c(F)cccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000092253507 454541768 /nfs/dbraw/zinc/54/17/68/454541768.db2.gz KUTPVNXCNPNREL-CYBMUJFWSA-N 2 1 334.414 3.129 20 0 EGADMP C[NH+](Cc1c[nH]nc1-c1c(F)cccc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253507 454541772 /nfs/dbraw/zinc/54/17/72/454541772.db2.gz KUTPVNXCNPNREL-CYBMUJFWSA-N 2 1 334.414 3.129 20 0 EGADMP C[NH+](Cc1c[nH]nc1-c1c(F)cccc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253507 454541777 /nfs/dbraw/zinc/54/17/77/454541777.db2.gz KUTPVNXCNPNREL-CYBMUJFWSA-N 2 1 334.414 3.129 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)CCn1cc[nH+]c1C(C)C)c1ccco1 ZINC000074249066 454550143 /nfs/dbraw/zinc/55/01/43/454550143.db2.gz VAEFFISWIURFIP-MRXNPFEDSA-N 2 1 346.475 3.189 20 0 EGADMP C[C@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000122711805 454561243 /nfs/dbraw/zinc/56/12/43/454561243.db2.gz RKAGHLDLIFYSKJ-HUFQQLBRSA-N 2 1 349.563 3.407 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2csc(Cl)c2)CC1 ZINC000191171329 455457268 /nfs/dbraw/zinc/45/72/68/455457268.db2.gz DFTVJYHLQMPYBV-CQSZACIVSA-N 2 1 329.941 3.470 20 0 EGADMP CCOc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OC(F)F ZINC000104098846 454574106 /nfs/dbraw/zinc/57/41/06/454574106.db2.gz XJWYGGWAICALMT-HNNXBMFYSA-N 2 1 342.430 3.460 20 0 EGADMP CCOc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OC(F)F ZINC000104098846 454574112 /nfs/dbraw/zinc/57/41/12/454574112.db2.gz XJWYGGWAICALMT-HNNXBMFYSA-N 2 1 342.430 3.460 20 0 EGADMP CCOc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1OC(F)F ZINC000104098846 454574114 /nfs/dbraw/zinc/57/41/14/454574114.db2.gz XJWYGGWAICALMT-HNNXBMFYSA-N 2 1 342.430 3.460 20 0 EGADMP CCOc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1OC(F)F ZINC000104098846 454574122 /nfs/dbraw/zinc/57/41/22/454574122.db2.gz XJWYGGWAICALMT-HNNXBMFYSA-N 2 1 342.430 3.460 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000052208899 454661901 /nfs/dbraw/zinc/66/19/01/454661901.db2.gz QQXSBJZBMINWMW-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000075007701 454674128 /nfs/dbraw/zinc/67/41/28/454674128.db2.gz ONNRCUCVIZNUJJ-UHFFFAOYSA-N 2 1 325.884 3.058 20 0 EGADMP Fc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1Cl ZINC000093159340 454689671 /nfs/dbraw/zinc/68/96/71/454689671.db2.gz PUFCFDGOLZHEGY-UHFFFAOYSA-N 2 1 326.843 3.023 20 0 EGADMP CCC[NH+]1CCC(N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000161589227 454705750 /nfs/dbraw/zinc/70/57/50/454705750.db2.gz QGZFALBOQAYASX-KRWDZBQOSA-N 2 1 333.520 3.152 20 0 EGADMP CCCN1CCC([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000161589227 454705753 /nfs/dbraw/zinc/70/57/53/454705753.db2.gz QGZFALBOQAYASX-KRWDZBQOSA-N 2 1 333.520 3.152 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000152652115 454706159 /nfs/dbraw/zinc/70/61/59/454706159.db2.gz XZLFZFIRXVMOFG-CJNGLKHVSA-N 2 1 337.895 3.297 20 0 EGADMP Fc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000106868614 454726471 /nfs/dbraw/zinc/72/64/71/454726471.db2.gz OZQKAOCPVYUVEA-QWHCGFSZSA-N 2 1 327.241 3.305 20 0 EGADMP Fc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000106868614 454726474 /nfs/dbraw/zinc/72/64/74/454726474.db2.gz OZQKAOCPVYUVEA-QWHCGFSZSA-N 2 1 327.241 3.305 20 0 EGADMP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(Cl)c1OC ZINC000107317465 454751732 /nfs/dbraw/zinc/75/17/32/454751732.db2.gz LGQFSYXCILFVPG-LBPRGKRZSA-N 2 1 337.851 3.288 20 0 EGADMP CN(C(=O)CC(C)(C)C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124850682 454776344 /nfs/dbraw/zinc/77/63/44/454776344.db2.gz NGIAOFBTTNVZBI-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000163112723 454823968 /nfs/dbraw/zinc/82/39/68/454823968.db2.gz NMTBAFDHJWPTID-SUNKGSAMSA-N 2 1 331.291 3.119 20 0 EGADMP Cc1ncsc1CC[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000177255986 454843202 /nfs/dbraw/zinc/84/32/02/454843202.db2.gz JCKXKNFBTXHKRO-UHFFFAOYSA-N 2 1 344.528 3.028 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000163587729 454856977 /nfs/dbraw/zinc/85/69/77/454856977.db2.gz YGHBFTUVMCZXCY-BEFAXECRSA-N 2 1 335.923 3.234 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000163587729 454856979 /nfs/dbraw/zinc/85/69/79/454856979.db2.gz YGHBFTUVMCZXCY-BEFAXECRSA-N 3 1 335.923 3.234 20 0 EGADMP C[C@@H]1C[C@@H](NCc2cccc(NC(=O)C3CCCC3)c2)CC[N@H+]1C ZINC000126008121 454862970 /nfs/dbraw/zinc/86/29/70/454862970.db2.gz BPDPZQVZFBFZOR-QAPCUYQASA-N 2 1 329.488 3.388 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)CC[N@H+]1C ZINC000126008121 454862976 /nfs/dbraw/zinc/86/29/76/454862976.db2.gz BPDPZQVZFBFZOR-QAPCUYQASA-N 2 1 329.488 3.388 20 0 EGADMP Cc1nc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000177483387 454868948 /nfs/dbraw/zinc/86/89/48/454868948.db2.gz UIFWAGDMHROPHY-GASCZTMLSA-N 2 1 337.533 3.163 20 0 EGADMP Cc1nc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000177483387 454868950 /nfs/dbraw/zinc/86/89/50/454868950.db2.gz UIFWAGDMHROPHY-GASCZTMLSA-N 2 1 337.533 3.163 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC000126215529 454878542 /nfs/dbraw/zinc/87/85/42/454878542.db2.gz AVNRHOFPSRLJCO-QAPCUYQASA-N 2 1 332.488 3.462 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC000126215529 454878544 /nfs/dbraw/zinc/87/85/44/454878544.db2.gz AVNRHOFPSRLJCO-QAPCUYQASA-N 2 1 332.488 3.462 20 0 EGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000154356728 454888108 /nfs/dbraw/zinc/88/81/08/454888108.db2.gz YRCVZYSRHYEZMF-HNNXBMFYSA-N 2 1 338.565 3.253 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2)n1 ZINC000150773319 454889643 /nfs/dbraw/zinc/88/96/43/454889643.db2.gz MQDUIHFSIGEPPO-HXUWFJFHSA-N 2 1 338.499 3.407 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC1CCCC1 ZINC000165133414 454895406 /nfs/dbraw/zinc/89/54/06/454895406.db2.gz FVUCTQDELJYVGJ-QAPCUYQASA-N 2 1 332.488 3.446 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126779813 454917824 /nfs/dbraw/zinc/91/78/24/454917824.db2.gz CFYKILYZZYIVOB-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000151120040 454941310 /nfs/dbraw/zinc/94/13/10/454941310.db2.gz CRGOLICRHGGMCK-DLBZAZTESA-N 2 1 329.488 3.196 20 0 EGADMP CCCN(C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000178906889 454989664 /nfs/dbraw/zinc/98/96/64/454989664.db2.gz MJEVGTKFWQCSQR-LJQANCHMSA-N 2 1 331.504 3.131 20 0 EGADMP COc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1Cl ZINC000128311117 455045235 /nfs/dbraw/zinc/04/52/35/455045235.db2.gz QQUOSUDSMLLCCE-HNNXBMFYSA-N 2 1 339.911 3.027 20 0 EGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128419471 455055062 /nfs/dbraw/zinc/05/50/62/455055062.db2.gz GKWOJQJTFPLBRP-HXUWFJFHSA-N 2 1 335.511 3.010 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1Br ZINC000623654554 460660975 /nfs/dbraw/zinc/66/09/75/460660975.db2.gz CJNILSIFEMLDPM-AWEZNQCLSA-N 2 1 341.293 3.279 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)N1CCCC[C@H]1C ZINC000156213822 455093810 /nfs/dbraw/zinc/09/38/10/455093810.db2.gz FQQJMILKUZQYRT-SJORKVTESA-N 2 1 335.536 3.163 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656870 460663112 /nfs/dbraw/zinc/66/31/12/460663112.db2.gz DMSJCEXGJYIEEY-MRXNPFEDSA-N 2 1 330.451 3.141 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656870 460663114 /nfs/dbraw/zinc/66/31/14/460663114.db2.gz DMSJCEXGJYIEEY-MRXNPFEDSA-N 2 1 330.451 3.141 20 0 EGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cnoc2C)CC1 ZINC000129817261 455127696 /nfs/dbraw/zinc/12/76/96/455127696.db2.gz BUQXRDMKYDDKQC-AWEZNQCLSA-N 2 1 346.450 3.115 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000180110910 455133739 /nfs/dbraw/zinc/13/37/39/455133739.db2.gz ALQNCKGPRGIFJG-RXVVDRJESA-N 2 1 329.532 3.236 20 0 EGADMP C[C@H]1CCC[N@@H+](CCNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000156670629 455143364 /nfs/dbraw/zinc/14/33/64/455143364.db2.gz XVDWKTNBJMIFTO-IBGZPJMESA-N 2 1 329.532 3.015 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCc2cnn(C)c2)CCN1Cc1ccccc1 ZINC000156970632 455159420 /nfs/dbraw/zinc/15/94/20/455159420.db2.gz NFJXHBXQAKRBPO-NQIIRXRSSA-N 2 1 340.515 3.338 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CCCc2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000156970632 455159422 /nfs/dbraw/zinc/15/94/22/455159422.db2.gz NFJXHBXQAKRBPO-NQIIRXRSSA-N 2 1 340.515 3.338 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CCCc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000156970632 455159423 /nfs/dbraw/zinc/15/94/23/455159423.db2.gz NFJXHBXQAKRBPO-NQIIRXRSSA-N 2 1 340.515 3.338 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)CCCc2cnn(C)c2)CC[NH+]1Cc1ccccc1 ZINC000156970632 455159425 /nfs/dbraw/zinc/15/94/25/455159425.db2.gz NFJXHBXQAKRBPO-NQIIRXRSSA-N 2 1 340.515 3.338 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCc2cnn(C)c2)CC[NH+]1Cc1ccccc1 ZINC000156970632 455159427 /nfs/dbraw/zinc/15/94/27/455159427.db2.gz NFJXHBXQAKRBPO-NQIIRXRSSA-N 2 1 340.515 3.338 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2ccccc2)cc1 ZINC000182955182 455199239 /nfs/dbraw/zinc/19/92/39/455199239.db2.gz RFLAUBLFZMREAL-UHFFFAOYSA-N 2 1 337.511 3.423 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3([NH3+])CCCCC3)cc2)C1 ZINC000237673535 455206134 /nfs/dbraw/zinc/20/61/34/455206134.db2.gz OFDBXRSOEUEZBP-KRWDZBQOSA-N 2 1 343.515 3.196 20 0 EGADMP CC1(C)[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)[C@H]2CCCO[C@@H]21 ZINC000181436712 455334125 /nfs/dbraw/zinc/33/41/25/455334125.db2.gz IVRJJDFJKARXJZ-AQNXPRMDSA-N 2 1 328.500 3.228 20 0 EGADMP CC1(C)[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)[C@H]2CCCO[C@@H]21 ZINC000181436712 455334128 /nfs/dbraw/zinc/33/41/28/455334128.db2.gz IVRJJDFJKARXJZ-AQNXPRMDSA-N 2 1 328.500 3.228 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000265915086 455405726 /nfs/dbraw/zinc/40/57/26/455405726.db2.gz AFJHOGNFGQRLPO-YLJYHZDGSA-N 2 1 345.531 3.331 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000265915086 455405728 /nfs/dbraw/zinc/40/57/28/455405728.db2.gz AFJHOGNFGQRLPO-YLJYHZDGSA-N 2 1 345.531 3.331 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000265915086 455405734 /nfs/dbraw/zinc/40/57/34/455405734.db2.gz AFJHOGNFGQRLPO-YLJYHZDGSA-N 2 1 345.531 3.331 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000245989715 455410603 /nfs/dbraw/zinc/41/06/03/455410603.db2.gz QNPIHLBIRZJPER-GVDBMIGSSA-N 2 1 339.524 3.096 20 0 EGADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)n(-c2ccccc2)n1 ZINC000246282935 455463967 /nfs/dbraw/zinc/46/39/67/455463967.db2.gz BRMIUKCQXUZTBC-RYQLBKOJSA-N 2 1 326.488 3.184 20 0 EGADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)n(-c2ccccc2)n1 ZINC000246282935 455463973 /nfs/dbraw/zinc/46/39/73/455463973.db2.gz BRMIUKCQXUZTBC-RYQLBKOJSA-N 2 1 326.488 3.184 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)[C@H](C)C1 ZINC000246837308 455529437 /nfs/dbraw/zinc/52/94/37/455529437.db2.gz ASRVLQUWJNMUQD-HLAWJBBLSA-N 2 1 329.532 3.452 20 0 EGADMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)c2nc(COC)no2)CC1 ZINC000182512883 455530006 /nfs/dbraw/zinc/53/00/06/455530006.db2.gz TXYDUKRLQMJEGS-HNNXBMFYSA-N 2 1 338.496 3.111 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2nc(C)cc2C)[C@@H](C)C1 ZINC000246851650 455530516 /nfs/dbraw/zinc/53/05/16/455530516.db2.gz CBIIHKVJSIIOFP-KXBFYZLASA-N 2 1 326.488 3.309 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246889593 455533658 /nfs/dbraw/zinc/53/36/58/455533658.db2.gz DSUNOAMJWIFKFP-ARXXEPJESA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246889593 455533662 /nfs/dbraw/zinc/53/36/62/455533662.db2.gz DSUNOAMJWIFKFP-ARXXEPJESA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246889593 455533666 /nfs/dbraw/zinc/53/36/66/455533666.db2.gz DSUNOAMJWIFKFP-ARXXEPJESA-N 2 1 329.532 3.215 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246939913 455537580 /nfs/dbraw/zinc/53/75/80/455537580.db2.gz UBPDCDMFMODMJV-GNBUJSLZSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246939913 455537583 /nfs/dbraw/zinc/53/75/83/455537583.db2.gz UBPDCDMFMODMJV-GNBUJSLZSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246939913 455537585 /nfs/dbraw/zinc/53/75/85/455537585.db2.gz UBPDCDMFMODMJV-GNBUJSLZSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246939913 455537587 /nfs/dbraw/zinc/53/75/87/455537587.db2.gz UBPDCDMFMODMJV-GNBUJSLZSA-N 2 1 347.547 3.115 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(F)cc3C)C2)[C@@H](C)C1 ZINC000247136950 455564597 /nfs/dbraw/zinc/56/45/97/455564597.db2.gz AXCLYWWUJPNTPV-WDSOQIARSA-N 2 1 333.495 3.423 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000247177863 455569141 /nfs/dbraw/zinc/56/91/41/455569141.db2.gz VBMUHAPVMUYNML-FGTMMUONSA-N 2 1 341.503 3.286 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000247188180 455570616 /nfs/dbraw/zinc/57/06/16/455570616.db2.gz ZRCAKAMNYGLFRE-XJKSGUPXSA-N 2 1 330.394 3.404 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[N@H+]1C1CC1 ZINC000267987091 455575666 /nfs/dbraw/zinc/57/56/66/455575666.db2.gz PMNHVRYJMMZTQJ-APWZRJJASA-N 2 1 341.499 3.028 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000268091719 455590900 /nfs/dbraw/zinc/59/09/00/455590900.db2.gz IXEUZWWJORBVFZ-UHFFFAOYSA-N 2 1 337.533 3.194 20 0 EGADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185718852 455604400 /nfs/dbraw/zinc/60/44/00/455604400.db2.gz SQWKOIAQCQWRQY-HUUCEWRRSA-N 2 1 333.451 3.007 20 0 EGADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185718852 455604407 /nfs/dbraw/zinc/60/44/07/455604407.db2.gz SQWKOIAQCQWRQY-HUUCEWRRSA-N 2 1 333.451 3.007 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(F)c1 ZINC000185730571 455608439 /nfs/dbraw/zinc/60/84/39/455608439.db2.gz JETOCIDPSZWMCV-WMLDXEAASA-N 2 1 348.462 3.355 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(F)c1 ZINC000185730571 455608442 /nfs/dbraw/zinc/60/84/42/455608442.db2.gz JETOCIDPSZWMCV-WMLDXEAASA-N 2 1 348.462 3.355 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185739587 455611075 /nfs/dbraw/zinc/61/10/75/455611075.db2.gz RBMGACNWGRLQAF-IAGOWNOFSA-N 2 1 329.488 3.176 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185739587 455611079 /nfs/dbraw/zinc/61/10/79/455611079.db2.gz RBMGACNWGRLQAF-IAGOWNOFSA-N 2 1 329.488 3.176 20 0 EGADMP Cc1nccn1CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284026095 455625754 /nfs/dbraw/zinc/62/57/54/455625754.db2.gz JBSGRQZYJCXXLX-UHFFFAOYSA-N 2 1 326.488 3.224 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000284026095 455625759 /nfs/dbraw/zinc/62/57/59/455625759.db2.gz JBSGRQZYJCXXLX-UHFFFAOYSA-N 3 1 326.488 3.224 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284026095 455625764 /nfs/dbraw/zinc/62/57/64/455625764.db2.gz JBSGRQZYJCXXLX-UHFFFAOYSA-N 3 1 326.488 3.224 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000247573382 455626850 /nfs/dbraw/zinc/62/68/50/455626850.db2.gz RZJBWICCNOGBDK-VQTJNVASSA-N 2 1 348.531 3.015 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000247573382 455626856 /nfs/dbraw/zinc/62/68/56/455626856.db2.gz RZJBWICCNOGBDK-VQTJNVASSA-N 2 1 348.531 3.015 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000271457339 455643735 /nfs/dbraw/zinc/64/37/35/455643735.db2.gz FNACALPBBCZOLS-HXUWFJFHSA-N 2 1 328.500 3.385 20 0 EGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000284244497 455656580 /nfs/dbraw/zinc/65/65/80/455656580.db2.gz VHBPZGHDSSLKHS-NHCUHLMSSA-N 2 1 340.515 3.062 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4C[C@H]5CC[C@@H]4O5)[C@H]3C2)cc1 ZINC000248401959 455713703 /nfs/dbraw/zinc/71/37/03/455713703.db2.gz MNGBZGVUMXZYQD-FITZOCOBSA-N 2 1 326.484 3.197 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c2cnn3C)CC[N@@H+]1Cc1ccccc1 ZINC000268816836 455714674 /nfs/dbraw/zinc/71/46/74/455714674.db2.gz MTRITUPXICHTFI-POAQFYNOSA-N 2 1 338.499 3.440 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c2cnn3C)CC[N@H+]1Cc1ccccc1 ZINC000268816836 455714677 /nfs/dbraw/zinc/71/46/77/455714677.db2.gz MTRITUPXICHTFI-POAQFYNOSA-N 2 1 338.499 3.440 20 0 EGADMP C[C@@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000248532034 455718912 /nfs/dbraw/zinc/71/89/12/455718912.db2.gz QEVQXANDZBTQRH-HZPDHXFCSA-N 2 1 338.517 3.005 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000248532034 455718920 /nfs/dbraw/zinc/71/89/20/455718920.db2.gz QEVQXANDZBTQRH-HZPDHXFCSA-N 2 1 338.517 3.005 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000248532034 455718923 /nfs/dbraw/zinc/71/89/23/455718923.db2.gz QEVQXANDZBTQRH-HZPDHXFCSA-N 2 1 338.517 3.005 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000271688506 455723157 /nfs/dbraw/zinc/72/31/57/455723157.db2.gz JTVJTEOYNSZRED-BZNIZROVSA-N 2 1 331.287 3.489 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)c3ccc(F)cc3)C2)CC1 ZINC000292656362 455723750 /nfs/dbraw/zinc/72/37/50/455723750.db2.gz PMLGAZSREZUJPU-PXNSSMCTSA-N 2 1 334.479 3.303 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)c3ccc(F)cc3)C2)CC1 ZINC000292656362 455723753 /nfs/dbraw/zinc/72/37/53/455723753.db2.gz PMLGAZSREZUJPU-PXNSSMCTSA-N 2 1 334.479 3.303 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271783565 455758621 /nfs/dbraw/zinc/75/86/21/455758621.db2.gz FBBAJIMNGQRLRN-UHFFFAOYSA-N 2 1 344.890 3.494 20 0 EGADMP C[C@H](CC[S@@](C)=O)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285007251 455775971 /nfs/dbraw/zinc/77/59/71/455775971.db2.gz GZSHFYCKDLGRDV-ANVCCXGISA-N 2 1 336.545 3.176 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@](C)(O)C(F)(F)F)CC1 ZINC000285032066 455780253 /nfs/dbraw/zinc/78/02/53/455780253.db2.gz HTKQBLOICFZZQK-JCYILVPMSA-N 2 1 344.421 3.333 20 0 EGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000186574089 455796623 /nfs/dbraw/zinc/79/66/23/455796623.db2.gz DYLLAMQNOFIDDX-NJDAHSKKSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186574089 455796630 /nfs/dbraw/zinc/79/66/30/455796630.db2.gz DYLLAMQNOFIDDX-NJDAHSKKSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000186574089 455796634 /nfs/dbraw/zinc/79/66/34/455796634.db2.gz DYLLAMQNOFIDDX-NJDAHSKKSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186574089 455796640 /nfs/dbraw/zinc/79/66/40/455796640.db2.gz DYLLAMQNOFIDDX-NJDAHSKKSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000186574089 455796648 /nfs/dbraw/zinc/79/66/48/455796648.db2.gz DYLLAMQNOFIDDX-NJDAHSKKSA-N 2 1 329.532 3.359 20 0 EGADMP COC[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000285234250 455809226 /nfs/dbraw/zinc/80/92/26/455809226.db2.gz PKEOAXKWLUCPFG-NSKBAKJYSA-N 2 1 346.515 3.213 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C[C@@H]3CCSC3)cc2)C[C@H](C)O1 ZINC000278299294 455810421 /nfs/dbraw/zinc/81/04/21/455810421.db2.gz CKXZIKSDIBZGJD-FCEWJHQRSA-N 2 1 334.529 3.139 20 0 EGADMP C=Cn1cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)cn1 ZINC000194164857 455810996 /nfs/dbraw/zinc/81/09/96/455810996.db2.gz JCGQLWZBASROTO-UHFFFAOYSA-N 2 1 339.487 3.374 20 0 EGADMP COc1cc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)ccc1C ZINC000194355167 455830784 /nfs/dbraw/zinc/83/07/84/455830784.db2.gz YTZKTTDBJGFHEA-UHFFFAOYSA-N 2 1 340.471 3.169 20 0 EGADMP CC(C)[NH+]1CCC(NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000186879002 455846671 /nfs/dbraw/zinc/84/66/71/455846671.db2.gz CXNBMELNJOPIKT-OAQYLSRUSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]([NH2+]Cc1cnc(N(C)C)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272194165 455873092 /nfs/dbraw/zinc/87/30/92/455873092.db2.gz NDXHEQIQWBCHFU-WBVHZDCISA-N 2 1 344.528 3.209 20 0 EGADMP C[C@@H]([NH2+]Cc1cnc(N(C)C)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272194165 455873095 /nfs/dbraw/zinc/87/30/95/455873095.db2.gz NDXHEQIQWBCHFU-WBVHZDCISA-N 2 1 344.528 3.209 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000280064758 455882451 /nfs/dbraw/zinc/88/24/51/455882451.db2.gz XDYYJNNTNYJSOM-MXSMSXNCSA-N 2 1 332.488 3.412 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1OC ZINC000280064758 455882458 /nfs/dbraw/zinc/88/24/58/455882458.db2.gz XDYYJNNTNYJSOM-MXSMSXNCSA-N 2 1 332.488 3.412 20 0 EGADMP CC[C@H](C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000272324517 455914022 /nfs/dbraw/zinc/91/40/22/455914022.db2.gz UYSYAEIVAQFECK-DFQSSKMNSA-N 2 1 345.531 3.134 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc3occc3c2)C1 ZINC000285819599 455923328 /nfs/dbraw/zinc/92/33/28/455923328.db2.gz GSDCVPDDHMRGTN-HXUWFJFHSA-N 2 1 336.435 3.289 20 0 EGADMP FC(F)(F)COc1cccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000280320047 455946396 /nfs/dbraw/zinc/94/63/96/455946396.db2.gz QGJMGHRXWPQLSL-CVEARBPZSA-N 2 1 342.405 3.387 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000261887641 455966016 /nfs/dbraw/zinc/96/60/16/455966016.db2.gz VMIZXRLZIFZEOH-SJORKVTESA-N 2 1 329.488 3.389 20 0 EGADMP COc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000272489216 455968409 /nfs/dbraw/zinc/96/84/09/455968409.db2.gz MWABVAUCUMSZRU-FUHWJXTLSA-N 2 1 325.456 3.090 20 0 EGADMP COc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000272489216 455968413 /nfs/dbraw/zinc/96/84/13/455968413.db2.gz MWABVAUCUMSZRU-FUHWJXTLSA-N 2 1 325.456 3.090 20 0 EGADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000272511290 455977016 /nfs/dbraw/zinc/97/70/16/455977016.db2.gz GJHKSPZNIVITEO-NJDAHSKKSA-N 3 1 341.543 3.219 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000188006890 455979459 /nfs/dbraw/zinc/97/94/59/455979459.db2.gz AKNHZPRLQLIPEZ-CLCXKQKWSA-N 2 1 335.923 3.016 20 0 EGADMP C[NH2+]CCC1CC[NH+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 ZINC000261983264 455981316 /nfs/dbraw/zinc/98/13/16/455981316.db2.gz IYDSCTNXVNEIOJ-LBPRGKRZSA-N 2 1 348.516 3.396 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000270551122 455981532 /nfs/dbraw/zinc/98/15/32/455981532.db2.gz ZWVKHCAQHBOWME-NCYKPQTJSA-N 2 1 340.511 3.098 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c(OC(C)C)c1 ZINC000262013228 455985343 /nfs/dbraw/zinc/98/53/43/455985343.db2.gz VTRARSPSVVWQFV-OTWHNJEPSA-N 2 1 332.488 3.029 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1coc(C[NH3+])c1 ZINC000188060894 455990298 /nfs/dbraw/zinc/99/02/98/455990298.db2.gz ULFDGZVXVFWDOF-HNNXBMFYSA-N 2 1 341.455 3.043 20 0 EGADMP COc1ccc(C[N@@H+](CC2CCC2)C[C@@]2(C)CC[NH2+]C2)c(OC)c1 ZINC000262072665 455993390 /nfs/dbraw/zinc/99/33/90/455993390.db2.gz SEMYJZHOMTZDHM-FQEVSTJZSA-N 2 1 332.488 3.306 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)CCC2)c1 ZINC000262098205 455997048 /nfs/dbraw/zinc/99/70/48/455997048.db2.gz IDNZUPCOERFBKX-HXUWFJFHSA-N 2 1 344.499 3.068 20 0 EGADMP CC(C)(CCCO)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000272571090 455997784 /nfs/dbraw/zinc/99/77/84/455997784.db2.gz PBMYXTFLHJGBIP-VAMGGRTRSA-N 2 1 330.516 3.285 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)CCC2)c1 ZINC000262132562 456001979 /nfs/dbraw/zinc/00/19/79/456001979.db2.gz OCDZYNWPLPOUCW-QFBILLFUSA-N 2 1 332.488 3.051 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000272612266 456014074 /nfs/dbraw/zinc/01/40/74/456014074.db2.gz ZMZHSKOJYZPKMV-GGPKGHCWSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000272612266 456014078 /nfs/dbraw/zinc/01/40/78/456014078.db2.gz ZMZHSKOJYZPKMV-GGPKGHCWSA-N 2 1 326.488 3.162 20 0 EGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)c2C1 ZINC000262394335 456031897 /nfs/dbraw/zinc/03/18/97/456031897.db2.gz QCQHRPJNHVSMFO-HOTGVXAUSA-N 2 1 329.488 3.375 20 0 EGADMP NC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000332512110 456085972 /nfs/dbraw/zinc/08/59/72/456085972.db2.gz DXORGCFMASRVSV-MJGOQNOKSA-N 2 1 329.488 3.377 20 0 EGADMP C[C@@H]([NH2+]CCCOC1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272847194 456089032 /nfs/dbraw/zinc/08/90/32/456089032.db2.gz SFRPQAWMCCBQMX-QUCCMNQESA-N 2 1 346.515 3.072 20 0 EGADMP O[C@@H]1CCCC[C@H]1[C@@H]1CCCC[N@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000280968215 456095739 /nfs/dbraw/zinc/09/57/39/456095739.db2.gz KGUAJHIPGUSKQK-GBESFXJTSA-N 2 1 340.471 3.173 20 0 EGADMP CC(C)(C)c1nc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cs1 ZINC000333137992 456165902 /nfs/dbraw/zinc/16/59/02/456165902.db2.gz KMMXZZDTAWMQPL-GDBMZVCRSA-N 2 1 337.533 3.159 20 0 EGADMP Cc1cc(N2CCN(C3=NC[C@@H](C)S3)CC2)c2cc(F)ccc2n1 ZINC000301641971 456171994 /nfs/dbraw/zinc/17/19/94/456171994.db2.gz BRRNIIFOIDVMIP-CYBMUJFWSA-N 2 1 344.459 3.296 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000236829534 456190546 /nfs/dbraw/zinc/19/05/46/456190546.db2.gz WCUPDPHQSRTGPX-SJORKVTESA-N 2 1 326.444 3.121 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189040438 456208059 /nfs/dbraw/zinc/20/80/59/456208059.db2.gz RCTPGIVXAOEDOJ-YADHBBJMSA-N 2 1 343.559 3.405 20 0 EGADMP CCOc1c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(C)nn1CC(C)C ZINC000237046570 456225004 /nfs/dbraw/zinc/22/50/04/456225004.db2.gz JBNOWYXHXQBYLV-OAHLLOKOSA-N 2 1 347.507 3.177 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(O)CCC(C(C)(C)C)CC2)s1 ZINC000352758689 456282124 /nfs/dbraw/zinc/28/21/24/456282124.db2.gz HSFBRKGZTFXHLE-UHFFFAOYSA-N 2 1 339.549 3.262 20 0 EGADMP COc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1Br ZINC000290308785 456287081 /nfs/dbraw/zinc/28/70/81/456287081.db2.gz BZIGSZDIOKFXGP-SWLSCSKDSA-N 2 1 341.293 3.230 20 0 EGADMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1Br ZINC000290308785 456287087 /nfs/dbraw/zinc/28/70/87/456287087.db2.gz BZIGSZDIOKFXGP-SWLSCSKDSA-N 2 1 341.293 3.230 20 0 EGADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1Br ZINC000290308785 456287091 /nfs/dbraw/zinc/28/70/91/456287091.db2.gz BZIGSZDIOKFXGP-SWLSCSKDSA-N 2 1 341.293 3.230 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]c3nccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000290322588 456291987 /nfs/dbraw/zinc/29/19/87/456291987.db2.gz ABBLMDBNZHORPJ-QAPCUYQASA-N 2 1 335.455 3.101 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]c3nccnc23)CC[N@H+]1Cc1ccccc1 ZINC000290322588 456291989 /nfs/dbraw/zinc/29/19/89/456291989.db2.gz ABBLMDBNZHORPJ-QAPCUYQASA-N 2 1 335.455 3.101 20 0 EGADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340175016 456292682 /nfs/dbraw/zinc/29/26/82/456292682.db2.gz VCOCLOCBGVAKDA-WOJBJXKFSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340175016 456292688 /nfs/dbraw/zinc/29/26/88/456292688.db2.gz VCOCLOCBGVAKDA-WOJBJXKFSA-N 2 1 343.515 3.059 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2COc3ccccc3O2)C[C@H]1c1ccccc1 ZINC000340176045 456292726 /nfs/dbraw/zinc/29/27/26/456292726.db2.gz ALRVORSXIVQAIE-FHWLQOOXSA-N 2 1 338.451 3.252 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2COc3ccccc3O2)C[C@H]1c1ccccc1 ZINC000340176045 456292732 /nfs/dbraw/zinc/29/27/32/456292732.db2.gz ALRVORSXIVQAIE-FHWLQOOXSA-N 2 1 338.451 3.252 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)C[C@@H]1c1ccccc1 ZINC000340180245 456295526 /nfs/dbraw/zinc/29/55/26/456295526.db2.gz JFADEQGBFUKGTJ-RTBURBONSA-N 2 1 338.451 3.383 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)C[C@@H]1c1ccccc1 ZINC000340180245 456295531 /nfs/dbraw/zinc/29/55/31/456295531.db2.gz JFADEQGBFUKGTJ-RTBURBONSA-N 2 1 338.451 3.383 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@H]1CCCN(Cc2cc(O)cc(F)c2)CC1 ZINC000275739571 456301282 /nfs/dbraw/zinc/30/12/82/456301282.db2.gz POIVGKQGNARMSL-IBGZPJMESA-N 2 1 343.446 3.413 20 0 EGADMP COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000340200304 456309096 /nfs/dbraw/zinc/30/90/96/456309096.db2.gz VCNDKHIDIFQULK-IXDOHACOSA-N 2 1 334.504 3.199 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc3c(c2)nnn3C)C1 ZINC000352806825 456324547 /nfs/dbraw/zinc/32/45/47/456324547.db2.gz VWNCNLSCDBUHFR-AEFFLSMTSA-N 2 1 341.503 3.055 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc3c(c2)nnn3C)C1 ZINC000352806825 456324553 /nfs/dbraw/zinc/32/45/53/456324553.db2.gz VWNCNLSCDBUHFR-AEFFLSMTSA-N 2 1 341.503 3.055 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc3c(c2)nnn3C)C1 ZINC000352806825 456324563 /nfs/dbraw/zinc/32/45/63/456324563.db2.gz VWNCNLSCDBUHFR-AEFFLSMTSA-N 2 1 341.503 3.055 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)nnn3C)C1 ZINC000352806825 456324569 /nfs/dbraw/zinc/32/45/69/456324569.db2.gz VWNCNLSCDBUHFR-AEFFLSMTSA-N 2 1 341.503 3.055 20 0 EGADMP CN(C)C(=O)C1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCCC1 ZINC000340240223 456334102 /nfs/dbraw/zinc/33/41/02/456334102.db2.gz GYCVWNXQFGQTHE-RTBURBONSA-N 2 1 343.515 3.060 20 0 EGADMP CN(C)C(=O)C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCCC1 ZINC000340240223 456334107 /nfs/dbraw/zinc/33/41/07/456334107.db2.gz GYCVWNXQFGQTHE-RTBURBONSA-N 2 1 343.515 3.060 20 0 EGADMP Cc1noc(C)c1CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352822966 456338512 /nfs/dbraw/zinc/33/85/12/456338512.db2.gz JAYRWOWURLITOM-NRFANRHFSA-N 2 1 339.483 3.432 20 0 EGADMP Cc1noc(C)c1CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352822966 456338518 /nfs/dbraw/zinc/33/85/18/456338518.db2.gz JAYRWOWURLITOM-NRFANRHFSA-N 2 1 339.483 3.432 20 0 EGADMP Cc1noc(C)c1CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352822966 456338522 /nfs/dbraw/zinc/33/85/22/456338522.db2.gz JAYRWOWURLITOM-NRFANRHFSA-N 2 1 339.483 3.432 20 0 EGADMP Cc1noc(C)c1CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352822966 456338528 /nfs/dbraw/zinc/33/85/28/456338528.db2.gz JAYRWOWURLITOM-NRFANRHFSA-N 2 1 339.483 3.432 20 0 EGADMP O[C@@H]1CCC[C@]1(C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccc(F)cc1 ZINC000298023365 456345897 /nfs/dbraw/zinc/34/58/97/456345897.db2.gz DWPDHLOQVIGHJD-NHCUHLMSSA-N 2 1 346.490 3.116 20 0 EGADMP Cc1ccc(OCCCC[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352835813 456349198 /nfs/dbraw/zinc/34/91/98/456349198.db2.gz YXOKJFKVLKUQPO-UHFFFAOYSA-N 2 1 333.501 3.462 20 0 EGADMP CC(C)CC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352838211 456352778 /nfs/dbraw/zinc/35/27/78/456352778.db2.gz JIXWQGIQYMHIKN-RTWAWAEBSA-N 2 1 330.516 3.382 20 0 EGADMP CC(C)CC[C@@H](O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352838211 456352785 /nfs/dbraw/zinc/35/27/85/456352785.db2.gz JIXWQGIQYMHIKN-RTWAWAEBSA-N 2 1 330.516 3.382 20 0 EGADMP CC(C)CC[C@@H](O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352838211 456352788 /nfs/dbraw/zinc/35/27/88/456352788.db2.gz JIXWQGIQYMHIKN-RTWAWAEBSA-N 2 1 330.516 3.382 20 0 EGADMP CSC1(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCOCC1 ZINC000340303438 456375340 /nfs/dbraw/zinc/37/53/40/456375340.db2.gz PKIFXCJKGMRRJF-ROUUACIJSA-N 2 1 334.529 3.324 20 0 EGADMP CSC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCOCC1 ZINC000340303438 456375348 /nfs/dbraw/zinc/37/53/48/456375348.db2.gz PKIFXCJKGMRRJF-ROUUACIJSA-N 2 1 334.529 3.324 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OC(F)F ZINC000290632559 456388320 /nfs/dbraw/zinc/38/83/20/456388320.db2.gz YBTXYQDNOCVGLT-GJZGRUSLSA-N 2 1 340.414 3.213 20 0 EGADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1OC(F)F ZINC000290632559 456388323 /nfs/dbraw/zinc/38/83/23/456388323.db2.gz YBTXYQDNOCVGLT-GJZGRUSLSA-N 2 1 340.414 3.213 20 0 EGADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1OC(F)F ZINC000290632559 456388325 /nfs/dbraw/zinc/38/83/25/456388325.db2.gz YBTXYQDNOCVGLT-GJZGRUSLSA-N 2 1 340.414 3.213 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H]1SC ZINC000298269726 456410451 /nfs/dbraw/zinc/41/04/51/456410451.db2.gz GFLSOZNYDYVMPW-HAGHYFMRSA-N 2 1 348.556 3.050 20 0 EGADMP C[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+]2C2CC2)C[C@@H]1c1ccccc1 ZINC000340372206 456420321 /nfs/dbraw/zinc/42/03/21/456420321.db2.gz NPBKYGWBQLRGJM-SESVDKBCSA-N 2 1 327.516 3.428 20 0 EGADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)C[C@@H]1c1ccccc1 ZINC000340372206 456420329 /nfs/dbraw/zinc/42/03/29/456420329.db2.gz NPBKYGWBQLRGJM-SESVDKBCSA-N 2 1 327.516 3.428 20 0 EGADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+]2C2CC2)C[C@@H]1c1ccccc1 ZINC000340372206 456420340 /nfs/dbraw/zinc/42/03/40/456420340.db2.gz NPBKYGWBQLRGJM-SESVDKBCSA-N 2 1 327.516 3.428 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000290947125 456476437 /nfs/dbraw/zinc/47/64/37/456476437.db2.gz OWCDPKCMDBHGNT-SFHVURJKSA-N 2 1 345.531 3.135 20 0 EGADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000282466261 456523377 /nfs/dbraw/zinc/52/33/77/456523377.db2.gz OZTAOGZXQYIFLJ-YZGWKJHDSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000282466261 456523383 /nfs/dbraw/zinc/52/33/83/456523383.db2.gz OZTAOGZXQYIFLJ-YZGWKJHDSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000282466261 456523388 /nfs/dbraw/zinc/52/33/88/456523388.db2.gz OZTAOGZXQYIFLJ-YZGWKJHDSA-N 2 1 329.532 3.359 20 0 EGADMP CCOc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc(Cl)c1O ZINC000298716891 456523915 /nfs/dbraw/zinc/52/39/15/456523915.db2.gz XVRPXJXVDDQYSW-CYBMUJFWSA-N 2 1 326.868 3.266 20 0 EGADMP CC[C@H](C)[C@@](C)(O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000305158642 456532811 /nfs/dbraw/zinc/53/28/11/456532811.db2.gz WLEOHWXNVYLZAO-JXFKEZNVSA-N 2 1 336.495 3.219 20 0 EGADMP C[C@H](CO)C1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000651957147 462391489 /nfs/dbraw/zinc/39/14/89/462391489.db2.gz PBHPVMNMERZOIL-GOSISDBHSA-N 2 1 332.532 3.485 20 0 EGADMP COc1ncc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309707289 456576031 /nfs/dbraw/zinc/57/60/31/456576031.db2.gz IKAUSUHXPMKGAD-ZBFHGGJFSA-N 2 1 331.485 3.152 20 0 EGADMP COc1ncc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309707289 456576034 /nfs/dbraw/zinc/57/60/34/456576034.db2.gz IKAUSUHXPMKGAD-ZBFHGGJFSA-N 2 1 331.485 3.152 20 0 EGADMP CCC(CC)(C[NH2+]C1CC[NH+](C2CC2)CC1)NC(=O)OC(C)(C)C ZINC000310320698 456581684 /nfs/dbraw/zinc/58/16/84/456581684.db2.gz YNPFCNXPCCDONR-UHFFFAOYSA-N 2 1 339.524 3.286 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc1O ZINC000353269130 456599883 /nfs/dbraw/zinc/59/98/83/456599883.db2.gz SSWCKVIFKLTQPA-OAHLLOKOSA-N 2 1 341.455 3.424 20 0 EGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000291354359 456615929 /nfs/dbraw/zinc/61/59/29/456615929.db2.gz YCGLXKLRSUKRDB-QGZVFWFLSA-N 2 1 348.535 3.008 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[NH+](C)[C@@H]2C)cc1 ZINC000343445061 456625514 /nfs/dbraw/zinc/62/55/14/456625514.db2.gz NQFXJXWTUDSQFZ-VQIMIIECSA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000343445061 456625522 /nfs/dbraw/zinc/62/55/22/456625522.db2.gz NQFXJXWTUDSQFZ-VQIMIIECSA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000343445061 456625529 /nfs/dbraw/zinc/62/55/29/456625529.db2.gz NQFXJXWTUDSQFZ-VQIMIIECSA-N 2 1 331.504 3.131 20 0 EGADMP c1ccc([C@@H]2C[C@@H]2C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000348345882 456638097 /nfs/dbraw/zinc/63/80/97/456638097.db2.gz RCYGFKWDPKXTGE-YADHBBJMSA-N 2 1 336.479 3.412 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322847066 456650839 /nfs/dbraw/zinc/65/08/39/456650839.db2.gz NIQMCPLQXQZNCR-MGNMYUMUSA-N 2 1 339.524 3.285 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000277022579 456656212 /nfs/dbraw/zinc/65/62/12/456656212.db2.gz DJNOVBVWLPTITC-XJGBBZTQSA-N 2 1 348.506 3.218 20 0 EGADMP C[C@@H](C(=O)N1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338047350 456657057 /nfs/dbraw/zinc/65/70/57/456657057.db2.gz HEIXFVZMZIZRSC-UDFCFZJOSA-N 2 1 335.536 3.112 20 0 EGADMP Cc1sc2nc([C@H](C)[NH+]3CCC(C[NH+](C)C)CC3)nc(N)c2c1C ZINC000340763266 456674030 /nfs/dbraw/zinc/67/40/30/456674030.db2.gz HQLZBEJGDZEKER-LBPRGKRZSA-N 2 1 347.532 3.225 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000343559414 456705173 /nfs/dbraw/zinc/70/51/73/456705173.db2.gz DCCXOFZVRGGJBC-YLJYHZDGSA-N 2 1 330.472 3.373 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338213295 456708904 /nfs/dbraw/zinc/70/89/04/456708904.db2.gz FZKIYDMOXXZIAI-RXVVDRJESA-N 2 1 338.499 3.470 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338213295 456708908 /nfs/dbraw/zinc/70/89/08/456708908.db2.gz FZKIYDMOXXZIAI-RXVVDRJESA-N 2 1 338.499 3.470 20 0 EGADMP C[C@@H](C[NH2+][C@H](Cc1ccccn1)c1cccnc1)C[NH+]1CCCCC1 ZINC000338220488 456714434 /nfs/dbraw/zinc/71/44/34/456714434.db2.gz YCKLYDZLSZDECT-GHTZIAJQSA-N 2 1 338.499 3.472 20 0 EGADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000353495852 456715894 /nfs/dbraw/zinc/71/58/94/456715894.db2.gz KBIBFLSEHZFEHD-HOCLYGCPSA-N 2 1 346.393 3.083 20 0 EGADMP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC000291712489 456729919 /nfs/dbraw/zinc/72/99/19/456729919.db2.gz LORPUGRNZDSPEY-AZUAARDMSA-N 2 1 346.515 3.072 20 0 EGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC000291712489 456729924 /nfs/dbraw/zinc/72/99/24/456729924.db2.gz LORPUGRNZDSPEY-AZUAARDMSA-N 2 1 346.515 3.072 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2)n1 ZINC000277254946 456747113 /nfs/dbraw/zinc/74/71/13/456747113.db2.gz QNYBHEWVYBIOED-LJQANCHMSA-N 2 1 326.488 3.405 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000291759657 456747741 /nfs/dbraw/zinc/74/77/41/456747741.db2.gz RGGXQFYIYCTDIP-LBPRGKRZSA-N 2 1 336.430 3.055 20 0 EGADMP CCOc1ccc([C@@H](O)C2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000291795289 456760795 /nfs/dbraw/zinc/76/07/95/456760795.db2.gz MVQKIEMPGNVWJE-TZIWHRDSSA-N 2 1 346.515 3.315 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CO)CC(F)F)CC1 ZINC000353585979 456784061 /nfs/dbraw/zinc/78/40/61/456784061.db2.gz BDBJAYWMXNTVNN-CGZBRXJRSA-N 2 1 326.431 3.035 20 0 EGADMP Cc1[nH]nc2ncc(C[N@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)cc12 ZINC000353608022 456798579 /nfs/dbraw/zinc/79/85/79/456798579.db2.gz CXZMTFHXEMPNFO-SFHVURJKSA-N 2 1 349.482 3.220 20 0 EGADMP Cc1[nH]nc2ncc(C[N@@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)cc12 ZINC000353608022 456798584 /nfs/dbraw/zinc/79/85/84/456798584.db2.gz CXZMTFHXEMPNFO-SFHVURJKSA-N 2 1 349.482 3.220 20 0 EGADMP Cc1[nH]nc2ncc(C[NH+](C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000353608022 456798590 /nfs/dbraw/zinc/79/85/90/456798590.db2.gz CXZMTFHXEMPNFO-SFHVURJKSA-N 2 1 349.482 3.220 20 0 EGADMP Cc1[nH]nc2ncc(C[NH+](C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000353608022 456798595 /nfs/dbraw/zinc/79/85/95/456798595.db2.gz CXZMTFHXEMPNFO-SFHVURJKSA-N 2 1 349.482 3.220 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000291969394 456814420 /nfs/dbraw/zinc/81/44/20/456814420.db2.gz RYXNYDIPMPWCJQ-HYVNUMGLSA-N 2 1 342.405 3.155 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000291969394 456814428 /nfs/dbraw/zinc/81/44/28/456814428.db2.gz RYXNYDIPMPWCJQ-HYVNUMGLSA-N 2 1 342.405 3.155 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000292024778 456833884 /nfs/dbraw/zinc/83/38/84/456833884.db2.gz YNHQGUVOPAWHFP-SFTDATJTSA-N 2 1 330.516 3.178 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000292024778 456833887 /nfs/dbraw/zinc/83/38/87/456833887.db2.gz YNHQGUVOPAWHFP-SFTDATJTSA-N 2 1 330.516 3.178 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000292024778 456833892 /nfs/dbraw/zinc/83/38/92/456833892.db2.gz YNHQGUVOPAWHFP-SFTDATJTSA-N 2 1 330.516 3.178 20 0 EGADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000353676337 456848739 /nfs/dbraw/zinc/84/87/39/456848739.db2.gz XIEQUVNVLMTISX-QKQBLWMGSA-N 3 1 341.543 3.359 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(Br)cn2)C[C@H]1C ZINC000353751836 456890201 /nfs/dbraw/zinc/89/02/01/456890201.db2.gz KNDMXBZOGWMISN-DOMZBBRYSA-N 2 1 326.282 3.149 20 0 EGADMP CCc1nc(C(C)C)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000339045553 456914079 /nfs/dbraw/zinc/91/40/79/456914079.db2.gz UXEDCOZMXBYEDN-DZFGPLHGSA-N 2 1 345.531 3.451 20 0 EGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000339045553 456914085 /nfs/dbraw/zinc/91/40/85/456914085.db2.gz UXEDCOZMXBYEDN-DZFGPLHGSA-N 2 1 345.531 3.451 20 0 EGADMP CC[C@@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)[NH+](CC)CC ZINC000345164092 456949029 /nfs/dbraw/zinc/94/90/29/456949029.db2.gz MTZMVHRGGCGIBA-IBGZPJMESA-N 2 1 333.520 3.263 20 0 EGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(-n2cncn2)c(C)c1 ZINC000349361760 456953173 /nfs/dbraw/zinc/95/31/73/456953173.db2.gz BXLIQGLQAVTLMA-UHFFFAOYSA-N 2 1 329.492 3.130 20 0 EGADMP CC[NH+]1CCC(NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000341817150 456956874 /nfs/dbraw/zinc/95/68/74/456956874.db2.gz UGVYSCZOJJSFFC-OAQYLSRUSA-N 2 1 329.532 3.143 20 0 EGADMP CC[NH+]1CCC([NH2+]C[C@H](C(C)C)N2CCc3ccccc3C2)CC1 ZINC000341817150 456956878 /nfs/dbraw/zinc/95/68/78/456956878.db2.gz UGVYSCZOJJSFFC-OAQYLSRUSA-N 2 1 329.532 3.143 20 0 EGADMP COc1cccc(OC(F)(F)F)c1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353948573 456976004 /nfs/dbraw/zinc/97/60/04/456976004.db2.gz VUIBGVPUJADGQG-NWDGAFQWSA-N 2 1 332.366 3.166 20 0 EGADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)cc2)n1 ZINC000341907381 456995423 /nfs/dbraw/zinc/99/54/23/456995423.db2.gz ZYDUNVWEYXWIGK-LUQKVYGDSA-N 2 1 340.515 3.350 20 0 EGADMP c1cn2c(cccc2C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000356512708 457030452 /nfs/dbraw/zinc/03/04/52/457030452.db2.gz BEJDZBVHRCLXQU-VQTJNVASSA-N 2 1 346.478 3.288 20 0 EGADMP c1cn2c(cccc2C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000356512708 457030457 /nfs/dbraw/zinc/03/04/57/457030457.db2.gz BEJDZBVHRCLXQU-VQTJNVASSA-N 2 1 346.478 3.288 20 0 EGADMP c1cn2c(cccc2C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000356512708 457030462 /nfs/dbraw/zinc/03/04/62/457030462.db2.gz BEJDZBVHRCLXQU-VQTJNVASSA-N 2 1 346.478 3.288 20 0 EGADMP c1cn2c(cccc2C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000356512708 457030469 /nfs/dbraw/zinc/03/04/69/457030469.db2.gz BEJDZBVHRCLXQU-VQTJNVASSA-N 2 1 346.478 3.288 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000362664767 457034081 /nfs/dbraw/zinc/03/40/81/457034081.db2.gz BONZBVVDVHHVBM-UXHICEINSA-N 2 1 343.515 3.227 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000362664767 457034085 /nfs/dbraw/zinc/03/40/85/457034085.db2.gz BONZBVVDVHHVBM-UXHICEINSA-N 2 1 343.515 3.227 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000362664767 457034093 /nfs/dbraw/zinc/03/40/93/457034093.db2.gz BONZBVVDVHHVBM-UXHICEINSA-N 2 1 343.515 3.227 20 0 EGADMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000356535232 457041938 /nfs/dbraw/zinc/04/19/38/457041938.db2.gz XCKCDEHLWZPUKO-OALUTQOASA-N 2 1 337.467 3.050 20 0 EGADMP Cc1ccc(O)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000356535232 457041940 /nfs/dbraw/zinc/04/19/40/457041940.db2.gz XCKCDEHLWZPUKO-OALUTQOASA-N 2 1 337.467 3.050 20 0 EGADMP Cc1ccc(O)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000356535232 457041945 /nfs/dbraw/zinc/04/19/45/457041945.db2.gz XCKCDEHLWZPUKO-OALUTQOASA-N 2 1 337.467 3.050 20 0 EGADMP Cc1ccccc1-n1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)nn1 ZINC000342035575 457071353 /nfs/dbraw/zinc/07/13/53/457071353.db2.gz BLIAUJRQQYXBGB-GOSISDBHSA-N 2 1 341.503 3.320 20 0 EGADMP COc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000342094328 457104390 /nfs/dbraw/zinc/10/43/90/457104390.db2.gz FQMJPISMJRJQAY-QGTPRVQTSA-N 2 1 343.496 3.378 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000342094328 457104397 /nfs/dbraw/zinc/10/43/97/457104397.db2.gz FQMJPISMJRJQAY-QGTPRVQTSA-N 2 1 343.496 3.378 20 0 EGADMP C[C@@H]1C[C@H](NC2CC[NH+](C3CCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000346701184 457119010 /nfs/dbraw/zinc/11/90/10/457119010.db2.gz RGIATWGGPZPMLF-XLIONFOSSA-N 2 1 327.516 3.256 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C[C@@H]21 ZINC000346843109 457183115 /nfs/dbraw/zinc/18/31/15/457183115.db2.gz WYWAMRRZRALKSH-XOKHGSTOSA-N 2 1 330.863 3.289 20 0 EGADMP C[NH+](C)CC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000354380240 457188533 /nfs/dbraw/zinc/18/85/33/457188533.db2.gz GRZNZHHLDWPIHU-UHFFFAOYSA-N 2 1 334.851 3.164 20 0 EGADMP C[C@@H](CCOCc1ccccc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000342251926 457191129 /nfs/dbraw/zinc/19/11/29/457191129.db2.gz RCFJPAJXPLZGSF-HNNXBMFYSA-N 2 1 333.501 3.290 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000356887952 457200162 /nfs/dbraw/zinc/20/01/62/457200162.db2.gz BYNGCEGMFXDMCT-DOMZBBRYSA-N 2 1 326.868 3.177 20 0 EGADMP CC(C)(CNC1CC[NH+](CCC(F)(F)F)CC1)[NH+]1CCCCC1 ZINC000356892360 457202523 /nfs/dbraw/zinc/20/25/23/457202523.db2.gz HIUWYVWPHGSZIA-UHFFFAOYSA-N 2 1 335.458 3.257 20 0 EGADMP CC1CCC([NH+]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)CC2)CC1 ZINC000360030396 457212683 /nfs/dbraw/zinc/21/26/83/457212683.db2.gz GHWXDYJPUJRNCF-UUKMXZOPSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000347067334 457213687 /nfs/dbraw/zinc/21/36/87/457213687.db2.gz MLICNAWXOTYKFP-KBPBESRZSA-N 2 1 332.879 3.300 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000347067334 457213689 /nfs/dbraw/zinc/21/36/89/457213689.db2.gz MLICNAWXOTYKFP-KBPBESRZSA-N 2 1 332.879 3.300 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@H]12 ZINC000351472527 457298471 /nfs/dbraw/zinc/29/84/71/457298471.db2.gz AZSJTNLQJYMURE-YZGWKJHDSA-N 2 1 335.451 3.108 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC4(CCOCC4)[C@@H]3C)sc2C1 ZINC000351582052 457304777 /nfs/dbraw/zinc/30/47/77/457304777.db2.gz PEULXPLDOMMVGI-HNNXBMFYSA-N 2 1 349.544 3.301 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC4(CCOCC4)[C@@H]3C)sc2C1 ZINC000351582052 457304780 /nfs/dbraw/zinc/30/47/80/457304780.db2.gz PEULXPLDOMMVGI-HNNXBMFYSA-N 2 1 349.544 3.301 20 0 EGADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC4(CCOCC4)[C@@H]3C)sc2C1 ZINC000351582052 457304785 /nfs/dbraw/zinc/30/47/85/457304785.db2.gz PEULXPLDOMMVGI-HNNXBMFYSA-N 2 1 349.544 3.301 20 0 EGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC4(CCOCC4)[C@@H]3C)sc2C1 ZINC000351582052 457304786 /nfs/dbraw/zinc/30/47/86/457304786.db2.gz PEULXPLDOMMVGI-HNNXBMFYSA-N 2 1 349.544 3.301 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC1)CC1CC1 ZINC000357074169 457309519 /nfs/dbraw/zinc/30/95/19/457309519.db2.gz GFVOQQIKPAJTCF-KRWDZBQOSA-N 2 1 337.552 3.076 20 0 EGADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000363391367 457310065 /nfs/dbraw/zinc/31/00/65/457310065.db2.gz RCRMUJHRHDBMBN-IBGZPJMESA-N 2 1 341.499 3.029 20 0 EGADMP Cn1c2cc(Cl)ccc2nc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357091744 457316939 /nfs/dbraw/zinc/31/69/39/457316939.db2.gz WTLWFPCIHPYAOA-AWEZNQCLSA-N 2 1 332.879 3.048 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CC3 ZINC000360613787 457321077 /nfs/dbraw/zinc/32/10/77/457321077.db2.gz NBRIFCFGDXGTPV-KFWWJZLASA-N 2 1 327.472 3.106 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CC3 ZINC000360613787 457321084 /nfs/dbraw/zinc/32/10/84/457321084.db2.gz NBRIFCFGDXGTPV-KFWWJZLASA-N 2 1 327.472 3.106 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000355411507 457371731 /nfs/dbraw/zinc/37/17/31/457371731.db2.gz MZBUGYFUZJOCSU-SCTDSRPQSA-N 2 1 331.504 3.059 20 0 EGADMP CC[NH+](CC)CCCC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000360881298 457403397 /nfs/dbraw/zinc/40/33/97/457403397.db2.gz PKHNMAPKWMKWON-HDICACEKSA-N 2 1 337.552 3.220 20 0 EGADMP Cc1ccc(-c2noc(CCC[N@H+]3CCCC[C@@H]3CC[NH3+])n2)cc1F ZINC000352509898 457427773 /nfs/dbraw/zinc/42/77/73/457427773.db2.gz LYHFPMINLQEOQF-MRXNPFEDSA-N 2 1 346.450 3.320 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000391025897 457449267 /nfs/dbraw/zinc/44/92/67/457449267.db2.gz SCEOUAWFISZJFE-UFYCRDLUSA-N 2 1 330.516 3.428 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000391025897 457449272 /nfs/dbraw/zinc/44/92/72/457449272.db2.gz SCEOUAWFISZJFE-UFYCRDLUSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392260546 457457075 /nfs/dbraw/zinc/45/70/75/457457075.db2.gz GNUKYOQITBCOTK-WBVHZDCISA-N 2 1 337.508 3.016 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000397889440 457492828 /nfs/dbraw/zinc/49/28/28/457492828.db2.gz PCHBZBRGDVXFPY-HKUYNNGSSA-N 2 1 347.503 3.013 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000398041129 457495463 /nfs/dbraw/zinc/49/54/63/457495463.db2.gz RXWFALASUMRVCW-MAUKXSAKSA-N 2 1 332.879 3.037 20 0 EGADMP CC(C)n1cncc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000425330909 457502768 /nfs/dbraw/zinc/50/27/68/457502768.db2.gz BFVJLDYZFMIVSW-UHFFFAOYSA-N 2 1 327.476 3.207 20 0 EGADMP Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)nc1 ZINC000399751862 457509310 /nfs/dbraw/zinc/50/93/10/457509310.db2.gz ARAJWDZGRGLAKZ-CEMLEFRQSA-N 2 1 335.495 3.433 20 0 EGADMP C[NH+](C)Cc1cnc(CN2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)s1 ZINC000356306886 457564726 /nfs/dbraw/zinc/56/47/26/457564726.db2.gz RWHQOIPNUYSXBM-INIZCTEOSA-N 2 1 342.512 3.189 20 0 EGADMP C[NH+](C)Cc1cnc(CN2C[C@@H]3CCC[N@H+]3Cc3ccccc32)s1 ZINC000356306886 457564729 /nfs/dbraw/zinc/56/47/29/457564729.db2.gz RWHQOIPNUYSXBM-INIZCTEOSA-N 2 1 342.512 3.189 20 0 EGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CC1CCCC1 ZINC000370215404 457588031 /nfs/dbraw/zinc/58/80/31/457588031.db2.gz KKZDXXXXBTZMSJ-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000357611005 457620841 /nfs/dbraw/zinc/62/08/41/457620841.db2.gz UONURZUDWUHOCX-HKUYNNGSSA-N 2 1 348.535 3.097 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1)C(C)C ZINC000374622469 457674721 /nfs/dbraw/zinc/67/47/21/457674721.db2.gz LHIWWUSILHAWEK-XUVXKRRUSA-N 2 1 343.515 3.116 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370712079 457704382 /nfs/dbraw/zinc/70/43/82/457704382.db2.gz ZHBYSFVPVYJDOZ-QFBILLFUSA-N 2 1 343.540 3.359 20 0 EGADMP CC[N@@H+](CCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1)C(C)C ZINC000361412370 457723142 /nfs/dbraw/zinc/72/31/42/457723142.db2.gz IMGJNROTPOBSDX-UHFFFAOYSA-N 2 1 340.556 3.061 20 0 EGADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)cc1O ZINC000365187315 457729677 /nfs/dbraw/zinc/72/96/77/457729677.db2.gz ZOHSNLQKHMUEKC-NVXWUHKLSA-N 2 1 332.488 3.328 20 0 EGADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)cc1O ZINC000365187315 457729678 /nfs/dbraw/zinc/72/96/78/457729678.db2.gz ZOHSNLQKHMUEKC-NVXWUHKLSA-N 2 1 332.488 3.328 20 0 EGADMP C[C@]1(CO)CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000361432810 457730420 /nfs/dbraw/zinc/73/04/20/457730420.db2.gz VFBWGMXFSOGJLQ-JAGQDSLRSA-N 2 1 328.500 3.323 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(SC(C)C)cc3)C2)CC1 ZINC000358071989 457766780 /nfs/dbraw/zinc/76/67/80/457766780.db2.gz XXKLNXIIWIVEAW-IBGZPJMESA-N 2 1 347.572 3.399 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000371117286 457795486 /nfs/dbraw/zinc/79/54/86/457795486.db2.gz FPCYJYMOFPRIQJ-MHTWAQMVSA-N 2 1 340.511 3.446 20 0 EGADMP C[C@H](NC(=O)C1C[NH+](C2CCCCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000457693902 457795851 /nfs/dbraw/zinc/79/58/51/457795851.db2.gz IFKVYEKSTWCWRA-IRXDYDNUSA-N 2 1 347.547 3.020 20 0 EGADMP FC(F)n1c2ccccc2nc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358174482 457835597 /nfs/dbraw/zinc/83/55/97/457835597.db2.gz XBBWWLLQXBAUGB-KBPBESRZSA-N 2 1 334.414 3.190 20 0 EGADMP Cn1cc([C@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)cn1 ZINC000411273511 457846179 /nfs/dbraw/zinc/84/61/79/457846179.db2.gz OJAOPGBGDIMBNU-FQEVSTJZSA-N 2 1 338.499 3.396 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000411321819 457857324 /nfs/dbraw/zinc/85/73/24/457857324.db2.gz JBPWLOCAQLPICB-UXHICEINSA-N 2 1 346.540 3.379 20 0 EGADMP c1cc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)ccc1C[NH+]1CCCCC1 ZINC000411323622 457858470 /nfs/dbraw/zinc/85/84/70/457858470.db2.gz LMLIWQOPPFHYRJ-WOJBJXKFSA-N 2 1 346.540 3.379 20 0 EGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000375301281 457870706 /nfs/dbraw/zinc/87/07/06/457870706.db2.gz FDVTVERMCFAQPQ-UHFFFAOYSA-N 3 1 345.531 3.122 20 0 EGADMP CC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1nccn1C ZINC000375309967 457876536 /nfs/dbraw/zinc/87/65/36/457876536.db2.gz OJCRVAKIVLIFEA-IBGZPJMESA-N 2 1 342.487 3.134 20 0 EGADMP COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411403842 457877647 /nfs/dbraw/zinc/87/76/47/457877647.db2.gz XLOFMHWHIDRERB-IBGZPJMESA-N 2 1 330.472 3.200 20 0 EGADMP C[N@@H+](CCCn1ccnc1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411423000 457883857 /nfs/dbraw/zinc/88/38/57/457883857.db2.gz LYRSJLXHJNULCH-UHFFFAOYSA-N 2 1 326.488 3.391 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H](O)C(F)(F)F ZINC000411576606 457921040 /nfs/dbraw/zinc/92/10/40/457921040.db2.gz XTGTWOMXAMJESL-KRWDZBQOSA-N 2 1 344.421 3.418 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000371437357 457929771 /nfs/dbraw/zinc/92/97/71/457929771.db2.gz DGRRRAPBPAFTHG-OKZBNKHCSA-N 2 1 329.488 3.237 20 0 EGADMP O[C@@]1(CN[C@H]2CCc3c2cccc3F)CC[N@H+](Cc2ccccc2)C1 ZINC000361891502 457935597 /nfs/dbraw/zinc/93/55/97/457935597.db2.gz HZVDLXABAKBFEH-LEWJYISDSA-N 2 1 340.442 3.040 20 0 EGADMP Cc1oc2ccccc2c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371469568 457948288 /nfs/dbraw/zinc/94/82/88/457948288.db2.gz FTLQXNJZHPJICI-MOXGXCLJSA-N 2 1 328.456 3.425 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)cc1)C(C)C ZINC000371510860 457967344 /nfs/dbraw/zinc/96/73/44/457967344.db2.gz OLWBSQRCTBDKDX-PMACEKPBSA-N 2 1 343.515 3.274 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1)C(C)C ZINC000371510860 457967352 /nfs/dbraw/zinc/96/73/52/457967352.db2.gz OLWBSQRCTBDKDX-PMACEKPBSA-N 2 1 343.515 3.274 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1)C(C)C ZINC000371510860 457967354 /nfs/dbraw/zinc/96/73/54/457967354.db2.gz OLWBSQRCTBDKDX-PMACEKPBSA-N 2 1 343.515 3.274 20 0 EGADMP c1ncc(CC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000411749189 457971313 /nfs/dbraw/zinc/97/13/13/457971313.db2.gz UYQRGZBJACCRIY-ROUUACIJSA-N 2 1 327.497 3.140 20 0 EGADMP c1ncc(CC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000411749189 457971316 /nfs/dbraw/zinc/97/13/16/457971316.db2.gz UYQRGZBJACCRIY-ROUUACIJSA-N 2 1 327.497 3.140 20 0 EGADMP c1ncc(CC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000411749189 457971319 /nfs/dbraw/zinc/97/13/19/457971319.db2.gz UYQRGZBJACCRIY-ROUUACIJSA-N 2 1 327.497 3.140 20 0 EGADMP CCOC(=O)CCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434692781 458037163 /nfs/dbraw/zinc/03/71/63/458037163.db2.gz ZRVXLJUBCGQQGE-UHFFFAOYSA-N 2 1 333.476 3.132 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412011628 458044827 /nfs/dbraw/zinc/04/48/27/458044827.db2.gz KOPSERDXFAKKLF-LJQANCHMSA-N 2 1 325.456 3.435 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412011628 458044832 /nfs/dbraw/zinc/04/48/32/458044832.db2.gz KOPSERDXFAKKLF-LJQANCHMSA-N 2 1 325.456 3.435 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000358600187 458102222 /nfs/dbraw/zinc/10/22/22/458102222.db2.gz NUTXDYVHKCLENI-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000369199325 458120865 /nfs/dbraw/zinc/12/08/65/458120865.db2.gz VEYZXRLYYNGSLU-PMACEKPBSA-N 2 1 344.547 3.033 20 0 EGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000369199328 458121022 /nfs/dbraw/zinc/12/10/22/458121022.db2.gz VEYZXRLYYNGSLU-WOJBJXKFSA-N 2 1 344.547 3.033 20 0 EGADMP C[N@@H+](Cc1ccc(OCc2cccnc2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435372950 458121948 /nfs/dbraw/zinc/12/19/48/458121948.db2.gz CEMJJCSSRSTOEU-YOFSQIOKSA-N 2 1 337.467 3.375 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000435372891 458122390 /nfs/dbraw/zinc/12/23/90/458122390.db2.gz LIMLGLIDPJELBA-SUMWQHHRSA-N 2 1 346.906 3.371 20 0 EGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000435372473 458122836 /nfs/dbraw/zinc/12/28/36/458122836.db2.gz JPXDNKXCIILIID-JKSUJKDBSA-N 2 1 326.488 3.339 20 0 EGADMP C[NH2+]C1CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000435375511 458124434 /nfs/dbraw/zinc/12/44/34/458124434.db2.gz MUPSOQVEVIZFSZ-UHFFFAOYSA-N 2 1 338.377 3.075 20 0 EGADMP C[NH2+]C1CC[NH+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)CC1 ZINC000435377143 458125679 /nfs/dbraw/zinc/12/56/79/458125679.db2.gz YJYHVKAFQRXDLK-UHFFFAOYSA-N 2 1 339.483 3.461 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000435377427 458126989 /nfs/dbraw/zinc/12/69/89/458126989.db2.gz BHZMARRGRZTYPX-HNNXBMFYSA-N 2 1 326.440 3.151 20 0 EGADMP CC[N@@H+](Cc1cc(Cl)c(OC)c(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435383173 458130338 /nfs/dbraw/zinc/13/03/38/458130338.db2.gz GRSLRQIFGOOBNS-AWEZNQCLSA-N 2 1 326.868 3.321 20 0 EGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000435382075 458130610 /nfs/dbraw/zinc/13/06/10/458130610.db2.gz XLTYVSSWMJUDAD-HNNXBMFYSA-N 2 1 343.858 3.373 20 0 EGADMP CC1CCC(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000435426176 458143174 /nfs/dbraw/zinc/14/31/74/458143174.db2.gz GXWCOHMLICBSDF-DAWZGUTISA-N 2 1 330.520 3.191 20 0 EGADMP c1cc(C[N@H+](CCc2cccnc2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435690267 458185021 /nfs/dbraw/zinc/18/50/21/458185021.db2.gz AARDXKKLFAQPHS-GOSISDBHSA-N 2 1 327.497 3.330 20 0 EGADMP Cc1ncsc1CC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435695821 458186396 /nfs/dbraw/zinc/18/63/96/458186396.db2.gz SXARSGLTEIRYJF-HNNXBMFYSA-N 2 1 348.541 3.095 20 0 EGADMP Cc1ncsc1CC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435695821 458186399 /nfs/dbraw/zinc/18/63/99/458186399.db2.gz SXARSGLTEIRYJF-HNNXBMFYSA-N 2 1 348.541 3.095 20 0 EGADMP CN(C(=O)CCCCC(C)(C)C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000376087877 458190653 /nfs/dbraw/zinc/19/06/53/458190653.db2.gz GIDNMBOLSYNOJX-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP CN(C(=O)CCCCC(C)(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376087877 458190659 /nfs/dbraw/zinc/19/06/59/458190659.db2.gz GIDNMBOLSYNOJX-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP C[N@@H+]1CCCC12CC[NH+](CCCc1nc(-c3ccccc3)no1)CC2 ZINC000369383983 458197929 /nfs/dbraw/zinc/19/79/29/458197929.db2.gz PUBZHGGZEQLQJF-UHFFFAOYSA-N 2 1 340.471 3.229 20 0 EGADMP C[N@H+]1CCCC12CC[NH+](CCCc1nc(-c3ccccc3)no1)CC2 ZINC000369383983 458197934 /nfs/dbraw/zinc/19/79/34/458197934.db2.gz PUBZHGGZEQLQJF-UHFFFAOYSA-N 2 1 340.471 3.229 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000372192665 458225496 /nfs/dbraw/zinc/22/54/96/458225496.db2.gz VYRNRBQUNPAWHW-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000372192665 458225501 /nfs/dbraw/zinc/22/55/01/458225501.db2.gz VYRNRBQUNPAWHW-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000372192665 458225505 /nfs/dbraw/zinc/22/55/05/458225505.db2.gz VYRNRBQUNPAWHW-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[N@@H+](CCCO[C@@H]1CCCCO1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000358828785 458243025 /nfs/dbraw/zinc/24/30/25/458243025.db2.gz LIOKMSQJMLNQLX-NHCUHLMSSA-N 2 1 346.515 3.374 20 0 EGADMP C[NH+](CCCO[C@@H]1CCCCO1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000358828785 458243037 /nfs/dbraw/zinc/24/30/37/458243037.db2.gz LIOKMSQJMLNQLX-NHCUHLMSSA-N 2 1 346.515 3.374 20 0 EGADMP C[NH+](CCCO[C@@H]1CCCCO1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000358828785 458243045 /nfs/dbraw/zinc/24/30/45/458243045.db2.gz LIOKMSQJMLNQLX-NHCUHLMSSA-N 2 1 346.515 3.374 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC000436489805 458313811 /nfs/dbraw/zinc/31/38/11/458313811.db2.gz WAOBUVXLJVAVKW-JBACZVJFSA-N 2 1 330.516 3.176 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000436489805 458313815 /nfs/dbraw/zinc/31/38/15/458313815.db2.gz WAOBUVXLJVAVKW-JBACZVJFSA-N 2 1 330.516 3.176 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000436489805 458313818 /nfs/dbraw/zinc/31/38/18/458313818.db2.gz WAOBUVXLJVAVKW-JBACZVJFSA-N 2 1 330.516 3.176 20 0 EGADMP C[C@H](NCC[N@@H+]1CCCC(C)(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000447569236 458313929 /nfs/dbraw/zinc/31/39/29/458313929.db2.gz OHPJHHAIBWYMIQ-SFHVURJKSA-N 2 1 347.547 3.400 20 0 EGADMP C[C@H](NCC[N@H+]1CCCC(C)(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000447569236 458313933 /nfs/dbraw/zinc/31/39/33/458313933.db2.gz OHPJHHAIBWYMIQ-SFHVURJKSA-N 2 1 347.547 3.400 20 0 EGADMP CN(Cc1cnc(C2CC2)nc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459348720 458338006 /nfs/dbraw/zinc/33/80/06/458338006.db2.gz MSYKWLIOQLKEBW-SFHVURJKSA-N 2 1 336.483 3.308 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000429521673 458339971 /nfs/dbraw/zinc/33/99/71/458339971.db2.gz NFPKKQIUFNGFFL-BEFAXECRSA-N 2 1 325.456 3.016 20 0 EGADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459355406 458340517 /nfs/dbraw/zinc/34/05/17/458340517.db2.gz MRDJOHKOWLHOLO-SFHVURJKSA-N 2 1 340.471 3.155 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@H+](CCOc2ccc(Br)cc2)CC1 ZINC000429561432 458345807 /nfs/dbraw/zinc/34/58/07/458345807.db2.gz VYMAEMBNCRRYTB-OAHLLOKOSA-N 2 1 341.293 3.244 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOc2ccc(Br)cc2)CC1 ZINC000429561432 458345809 /nfs/dbraw/zinc/34/58/09/458345809.db2.gz VYMAEMBNCRRYTB-OAHLLOKOSA-N 2 1 341.293 3.244 20 0 EGADMP CCc1nn(-c2ccccc2)c(CC)c1CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000448022962 458380447 /nfs/dbraw/zinc/38/04/47/458380447.db2.gz QUPNGMYFGAHWDV-UZLBHIALSA-N 2 1 340.515 3.427 20 0 EGADMP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000448022962 458380452 /nfs/dbraw/zinc/38/04/52/458380452.db2.gz QUPNGMYFGAHWDV-UZLBHIALSA-N 2 1 340.515 3.427 20 0 EGADMP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000448022962 458380457 /nfs/dbraw/zinc/38/04/57/458380457.db2.gz QUPNGMYFGAHWDV-UZLBHIALSA-N 2 1 340.515 3.427 20 0 EGADMP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000448022962 458380462 /nfs/dbraw/zinc/38/04/62/458380462.db2.gz QUPNGMYFGAHWDV-UZLBHIALSA-N 2 1 340.515 3.427 20 0 EGADMP CCOc1cc(C[N@@H+](C)CCCN(C)Cc2ccco2)ccc1O ZINC000459547969 458406560 /nfs/dbraw/zinc/40/65/60/458406560.db2.gz KUKNMQCWQQXTKH-UHFFFAOYSA-N 2 1 332.444 3.338 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430314315 458438446 /nfs/dbraw/zinc/43/84/46/458438446.db2.gz XRVRTPVSASKLHT-UHFFFAOYSA-N 2 1 335.455 3.117 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430314315 458438448 /nfs/dbraw/zinc/43/84/48/458438448.db2.gz XRVRTPVSASKLHT-UHFFFAOYSA-N 2 1 335.455 3.117 20 0 EGADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423516003 458449378 /nfs/dbraw/zinc/44/93/78/458449378.db2.gz NHZHLPPRLIKDNO-BBRMVZONSA-N 2 1 331.485 3.148 20 0 EGADMP C[C@@](C[NH3+])([NH2+]CCC(=O)Nc1ccccc1-c1ccccc1)C1CC1 ZINC000430573039 458463678 /nfs/dbraw/zinc/46/36/78/458463678.db2.gz QMRZUGKQCUDYTN-NRFANRHFSA-N 2 1 337.467 3.399 20 0 EGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000430581289 458465809 /nfs/dbraw/zinc/46/58/09/458465809.db2.gz GYWOSBKVTMPULL-HXUWFJFHSA-N 2 1 325.456 3.402 20 0 EGADMP Cn1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(-c2ccc(F)cc2)n1 ZINC000459800304 458482767 /nfs/dbraw/zinc/48/27/67/458482767.db2.gz ZNVXUSCFIZYNDE-HNNXBMFYSA-N 2 1 330.451 3.048 20 0 EGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000430925158 458506806 /nfs/dbraw/zinc/50/68/06/458506806.db2.gz KSLMABVFFBZUSK-QGZVFWFLSA-N 2 1 332.451 3.320 20 0 EGADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000460380179 458515398 /nfs/dbraw/zinc/51/53/98/458515398.db2.gz LWFZIEVIVGNNJQ-MDNKFWRPSA-N 2 1 343.515 3.059 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(Br)c2)[C@H](C)C1 ZINC000468548163 458527346 /nfs/dbraw/zinc/52/73/46/458527346.db2.gz NRGYFANFRSZEDO-CZUORRHYSA-N 2 1 325.294 3.312 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ccc(F)cc3F)C2)CC1 ZINC000377830977 458545486 /nfs/dbraw/zinc/54/54/86/458545486.db2.gz ITFBJDIOSAOQLH-WBVHZDCISA-N 2 1 337.458 3.126 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc(F)cc3F)C2)CC1 ZINC000377830977 458545488 /nfs/dbraw/zinc/54/54/88/458545488.db2.gz ITFBJDIOSAOQLH-WBVHZDCISA-N 2 1 337.458 3.126 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1)C1CC1 ZINC000424066844 458548804 /nfs/dbraw/zinc/54/88/04/458548804.db2.gz GHVGUIAQWXECTN-BXWFABGCSA-N 2 1 343.515 3.116 20 0 EGADMP Cc1cc(C)c(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(C)c1 ZINC000377896883 458567209 /nfs/dbraw/zinc/56/72/09/458567209.db2.gz ALOOLROGGQTRIN-FQEVSTJZSA-N 2 1 329.532 3.212 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1 ZINC000424215123 458585051 /nfs/dbraw/zinc/58/50/51/458585051.db2.gz FBZYAFHLOPCYEA-TYCQWZJGSA-N 2 1 349.478 3.053 20 0 EGADMP [NH3+]C[C@@H](CN1CCC[N@@H+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000424306102 458610530 /nfs/dbraw/zinc/61/05/30/458610530.db2.gz UNMKJLCDFPWIGS-FQEVSTJZSA-N 2 1 341.474 3.076 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431741862 458615193 /nfs/dbraw/zinc/61/51/93/458615193.db2.gz SGZZMUKZYBHCEG-ICSRJNTNSA-N 2 1 345.531 3.450 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[NH+]1CCCCCC1 ZINC000494068106 458624084 /nfs/dbraw/zinc/62/40/84/458624084.db2.gz DZEXETICKANAQR-NSHGMRRFSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1c[nH]nc1-c1c(F)cccc1F)CC[NH2+]CC2 ZINC000424368554 458626523 /nfs/dbraw/zinc/62/65/23/458626523.db2.gz ALFURHDYZAAWKV-CYBMUJFWSA-N 2 1 346.425 3.319 20 0 EGADMP C[C@H](Cn1cccn1)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000470261659 458626657 /nfs/dbraw/zinc/62/66/57/458626657.db2.gz UBBLVEWCVYNKRO-GGPKGHCWSA-N 2 1 326.488 3.162 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1OCc1ccncc1 ZINC000424371012 458627225 /nfs/dbraw/zinc/62/72/25/458627225.db2.gz UKCNXFJNOFHTIT-QZTJIDSGSA-N 2 1 341.455 3.029 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1c[nH]nc1-c1ccccc1F)CC[NH2+]CC2 ZINC000424383267 458630337 /nfs/dbraw/zinc/63/03/37/458630337.db2.gz TVQIYJCFWBABIQ-CQSZACIVSA-N 2 1 328.435 3.180 20 0 EGADMP Cc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC000546574249 458639884 /nfs/dbraw/zinc/63/98/84/458639884.db2.gz MKPYDPCWOQVFRE-VXKWHMMOSA-N 2 1 338.495 3.243 20 0 EGADMP Cc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC000546574249 458639889 /nfs/dbraw/zinc/63/98/89/458639889.db2.gz MKPYDPCWOQVFRE-VXKWHMMOSA-N 2 1 338.495 3.243 20 0 EGADMP COc1ccc(F)cc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000462796801 458656023 /nfs/dbraw/zinc/65/60/23/458656023.db2.gz XFAGXHIGDJMUAH-SFHVURJKSA-N 2 1 342.458 3.489 20 0 EGADMP COc1ccc(F)cc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000462796801 458656029 /nfs/dbraw/zinc/65/60/29/458656029.db2.gz XFAGXHIGDJMUAH-SFHVURJKSA-N 2 1 342.458 3.489 20 0 EGADMP CCOc1ccc(OCCN2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000470974586 458672469 /nfs/dbraw/zinc/67/24/69/458672469.db2.gz DWNKRNCCYJWVQF-GOSISDBHSA-N 2 1 332.488 3.128 20 0 EGADMP CCOc1ccc(OCC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000470974586 458672472 /nfs/dbraw/zinc/67/24/72/458672472.db2.gz DWNKRNCCYJWVQF-GOSISDBHSA-N 2 1 332.488 3.128 20 0 EGADMP CCOc1ccc(OCC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000470974586 458672481 /nfs/dbraw/zinc/67/24/81/458672481.db2.gz DWNKRNCCYJWVQF-GOSISDBHSA-N 2 1 332.488 3.128 20 0 EGADMP CCOc1ccc(OCC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000470974586 458672484 /nfs/dbraw/zinc/67/24/84/458672484.db2.gz DWNKRNCCYJWVQF-GOSISDBHSA-N 2 1 332.488 3.128 20 0 EGADMP CCOc1ccc(OCC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000470974586 458672490 /nfs/dbraw/zinc/67/24/90/458672490.db2.gz DWNKRNCCYJWVQF-GOSISDBHSA-N 2 1 332.488 3.128 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CCCO1 ZINC000432369179 458726148 /nfs/dbraw/zinc/72/61/48/458726148.db2.gz UHTXJNAGYBJXNX-GIVPXCGWSA-N 2 1 330.516 3.488 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CCCO1 ZINC000432369179 458726151 /nfs/dbraw/zinc/72/61/51/458726151.db2.gz UHTXJNAGYBJXNX-GIVPXCGWSA-N 2 1 330.516 3.488 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000503865971 458727019 /nfs/dbraw/zinc/72/70/19/458727019.db2.gz YGJWBRBGVANDTI-RLLQIKCJSA-N 2 1 345.531 3.180 20 0 EGADMP Cc1cccc(C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C2CC2)c1 ZINC000432418100 458735748 /nfs/dbraw/zinc/73/57/48/458735748.db2.gz PXZISPZPIWWSJU-WIYYLYMNSA-N 2 1 330.516 3.407 20 0 EGADMP Cc1cccc(C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C2CC2)c1 ZINC000432418100 458735751 /nfs/dbraw/zinc/73/57/51/458735751.db2.gz PXZISPZPIWWSJU-WIYYLYMNSA-N 2 1 330.516 3.407 20 0 EGADMP CSc1ccccc1C[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432423048 458737991 /nfs/dbraw/zinc/73/79/91/458737991.db2.gz WLWYBJCCSPYSKW-IAGOWNOFSA-N 2 1 336.545 3.430 20 0 EGADMP CSc1ccccc1C[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432423048 458737996 /nfs/dbraw/zinc/73/79/96/458737996.db2.gz WLWYBJCCSPYSKW-IAGOWNOFSA-N 2 1 336.545 3.430 20 0 EGADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC000439688852 458739997 /nfs/dbraw/zinc/73/99/97/458739997.db2.gz APQMTIMNZXNQJQ-QGZVFWFLSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC000439688852 458740000 /nfs/dbraw/zinc/74/00/00/458740000.db2.gz APQMTIMNZXNQJQ-QGZVFWFLSA-N 2 1 334.508 3.023 20 0 EGADMP Cc1c([C@H](C)[NH2+]CCc2c[nH+]cn2C)cnn1-c1cccc(Cl)c1 ZINC000530407262 458763795 /nfs/dbraw/zinc/76/37/95/458763795.db2.gz JBKJCRFGCBLYNX-ZDUSSCGKSA-N 2 1 343.862 3.461 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000472273660 458778856 /nfs/dbraw/zinc/77/88/56/458778856.db2.gz HGFPSHAWGKOOAD-SFHVURJKSA-N 2 1 340.895 3.152 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CC[NH+](C)C1)C1CCCCC1 ZINC000518891843 458897671 /nfs/dbraw/zinc/89/76/71/458897671.db2.gz LQOWCBWGUKRMNP-QGZVFWFLSA-N 2 1 329.488 3.341 20 0 EGADMP C[NH+](Cc1ccccc1NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC000518891843 458897676 /nfs/dbraw/zinc/89/76/76/458897676.db2.gz LQOWCBWGUKRMNP-QGZVFWFLSA-N 2 1 329.488 3.341 20 0 EGADMP C[NH+](Cc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC000518891843 458897680 /nfs/dbraw/zinc/89/76/80/458897680.db2.gz LQOWCBWGUKRMNP-QGZVFWFLSA-N 2 1 329.488 3.341 20 0 EGADMP C[N@H+](CCC(=O)Nc1cccc(Cl)c1)CC[C@@H]1CCCC[NH+]1C ZINC000441351438 458925128 /nfs/dbraw/zinc/92/51/28/458925128.db2.gz CIOLFHGENXNHOR-KRWDZBQOSA-N 2 1 337.895 3.475 20 0 EGADMP C[NH+](CCC(=O)Nc1cccc(Cl)c1)CC[C@@H]1CCCC[N@@H+]1C ZINC000441351438 458925134 /nfs/dbraw/zinc/92/51/34/458925134.db2.gz CIOLFHGENXNHOR-KRWDZBQOSA-N 2 1 337.895 3.475 20 0 EGADMP C[NH+](CCC(=O)Nc1cccc(Cl)c1)CC[C@@H]1CCCC[N@H+]1C ZINC000441351438 458925138 /nfs/dbraw/zinc/92/51/38/458925138.db2.gz CIOLFHGENXNHOR-KRWDZBQOSA-N 2 1 337.895 3.475 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000519311625 458934432 /nfs/dbraw/zinc/93/44/32/458934432.db2.gz DXXXCLQVWRNALE-QZTJIDSGSA-N 2 1 345.531 3.123 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC34CCCCC4)CC2)CC1 ZINC000566450436 458938077 /nfs/dbraw/zinc/93/80/77/458938077.db2.gz FQKLKUPJJPCEAK-LJQANCHMSA-N 2 1 347.547 3.022 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000576936941 458950880 /nfs/dbraw/zinc/95/08/80/458950880.db2.gz OKHVMLMIJLDRKA-DOTOQJQBSA-N 2 1 344.503 3.228 20 0 EGADMP CCc1cccc(Cl)c1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000475689516 458957677 /nfs/dbraw/zinc/95/76/77/458957677.db2.gz CRQCAFAPUWLTIP-OAHLLOKOSA-N 2 1 338.923 3.427 20 0 EGADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccsc1 ZINC000531677643 458959509 /nfs/dbraw/zinc/95/95/09/458959509.db2.gz DOPGYDPHEXHLIZ-HOCLYGCPSA-N 2 1 335.542 3.449 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000556665206 458984740 /nfs/dbraw/zinc/98/47/40/458984740.db2.gz BQKONQLRNVIALG-BEFAXECRSA-N 2 1 344.503 3.087 20 0 EGADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCc3ccccc32)c2cccs2)CC1 ZINC000531932276 459002512 /nfs/dbraw/zinc/00/25/12/459002512.db2.gz BKBYURIJLDRBET-MOPGFXCFSA-N 2 1 341.524 3.314 20 0 EGADMP CC[N@@H+](C)C[C@H](O)CN[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000567059407 459041681 /nfs/dbraw/zinc/04/16/81/459041681.db2.gz XOGYMAVMDQEJSW-MLGOLLRUSA-N 2 1 331.287 3.347 20 0 EGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000532211930 459047430 /nfs/dbraw/zinc/04/74/30/459047430.db2.gz DHHJAPIOUVBSHV-VQCLRJIVSA-N 2 1 336.442 3.323 20 0 EGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000532211930 459047433 /nfs/dbraw/zinc/04/74/33/459047433.db2.gz DHHJAPIOUVBSHV-VQCLRJIVSA-N 2 1 336.442 3.323 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1(C)C ZINC000442881335 459051497 /nfs/dbraw/zinc/05/14/97/459051497.db2.gz ZFLASCDSXBFAMS-TZIWHRDSSA-N 2 1 329.532 3.112 20 0 EGADMP CCS[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000594496155 459060536 /nfs/dbraw/zinc/06/05/36/459060536.db2.gz INVRUSOXXPFFEH-KZNAEPCWSA-N 2 1 326.550 3.284 20 0 EGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000442997150 459072539 /nfs/dbraw/zinc/07/25/39/459072539.db2.gz ZEDNKEZZLNFVCE-KRWDZBQOSA-N 2 1 344.421 3.196 20 0 EGADMP COc1ncc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000532778060 459142395 /nfs/dbraw/zinc/14/23/95/459142395.db2.gz JPNNQXFSSAHQFY-PBHICJAKSA-N 2 1 335.879 3.192 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CNCC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000558419332 459156709 /nfs/dbraw/zinc/15/67/09/459156709.db2.gz NPDQJSCAAMRJFB-HXUWFJFHSA-N 2 1 331.548 3.465 20 0 EGADMP CC(C)[NH+]1CC[C@H](CNCC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000558419332 459156711 /nfs/dbraw/zinc/15/67/11/459156711.db2.gz NPDQJSCAAMRJFB-HXUWFJFHSA-N 3 1 331.548 3.465 20 0 EGADMP CC(C)[NH+]1CC[C@H](CNCC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000558419332 459156714 /nfs/dbraw/zinc/15/67/14/459156714.db2.gz NPDQJSCAAMRJFB-HXUWFJFHSA-N 3 1 331.548 3.465 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000558419332 459156717 /nfs/dbraw/zinc/15/67/17/459156717.db2.gz NPDQJSCAAMRJFB-HXUWFJFHSA-N 3 1 331.548 3.465 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000558419332 459156719 /nfs/dbraw/zinc/15/67/19/459156719.db2.gz NPDQJSCAAMRJFB-HXUWFJFHSA-N 3 1 331.548 3.465 20 0 EGADMP CC(C)[NH+]1CC[C@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000558419332 459156722 /nfs/dbraw/zinc/15/67/22/459156722.db2.gz NPDQJSCAAMRJFB-HXUWFJFHSA-N 3 1 331.548 3.465 20 0 EGADMP CC(C)[NH+]1CC[C@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000558419332 459156725 /nfs/dbraw/zinc/15/67/25/459156725.db2.gz NPDQJSCAAMRJFB-HXUWFJFHSA-N 3 1 331.548 3.465 20 0 EGADMP C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CCC1CC[NH2+]CC1 ZINC000479682715 459158903 /nfs/dbraw/zinc/15/89/03/459158903.db2.gz BYOTUNJQCXRQKZ-UHFFFAOYSA-N 2 1 344.478 3.470 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc4[nH]ccc4c3)cc2)CC1 ZINC000521643748 459170004 /nfs/dbraw/zinc/17/00/04/459170004.db2.gz NIRHPIWERCUTJQ-UHFFFAOYSA-N 2 1 348.494 3.205 20 0 EGADMP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]Cc3[nH]nc4ccccc43)C2)cc1 ZINC000590798591 459224471 /nfs/dbraw/zinc/22/44/71/459224471.db2.gz CSXDFVJREMYXMR-GOSISDBHSA-N 2 1 334.467 3.217 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]Cc3[nH]nc4ccccc43)C2)cc1 ZINC000590798591 459224475 /nfs/dbraw/zinc/22/44/75/459224475.db2.gz CSXDFVJREMYXMR-GOSISDBHSA-N 2 1 334.467 3.217 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@H](O)Cc1ccccc1 ZINC000559789022 459277179 /nfs/dbraw/zinc/27/71/79/459277179.db2.gz MSCOKVCSBGMURY-KVJIRVJXSA-N 2 1 338.495 3.404 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@H](O)Cc1ccccc1 ZINC000559789022 459277185 /nfs/dbraw/zinc/27/71/85/459277185.db2.gz MSCOKVCSBGMURY-KVJIRVJXSA-N 2 1 338.495 3.404 20 0 EGADMP CSc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000595331765 459278254 /nfs/dbraw/zinc/27/82/54/459278254.db2.gz DCFFQGUSOXQDTF-GOSISDBHSA-N 2 1 333.545 3.009 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1(C)C ZINC000559841496 459280144 /nfs/dbraw/zinc/28/01/44/459280144.db2.gz BJGQNMFARCZHEL-IBGZPJMESA-N 2 1 349.950 3.277 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000582005701 459290539 /nfs/dbraw/zinc/29/05/39/459290539.db2.gz HEKKBEJCZNWAHR-LJQANCHMSA-N 2 1 337.467 3.257 20 0 EGADMP Cc1cc(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)cn2cc[nH+]c12 ZINC000560443583 459346529 /nfs/dbraw/zinc/34/65/29/459346529.db2.gz XVTLSTVYAMMLQW-HNNXBMFYSA-N 2 1 329.448 3.029 20 0 EGADMP CC(C)OCC[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000568991120 459377957 /nfs/dbraw/zinc/37/79/57/459377957.db2.gz KOTMXDMRFBNIOZ-GHTZIAJQSA-N 2 1 348.531 3.327 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2cccc(C)c2)[C@H](C)C1 ZINC000483712599 459384779 /nfs/dbraw/zinc/38/47/79/459384779.db2.gz MJYIZJXZKBZPET-DYXWJJEUSA-N 2 1 348.531 3.489 20 0 EGADMP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000560827087 459400175 /nfs/dbraw/zinc/40/01/75/459400175.db2.gz UTVAPYOFELOOQQ-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000582653553 459403156 /nfs/dbraw/zinc/40/31/56/459403156.db2.gz XISZCRHAZNXCMH-DOMZBBRYSA-N 2 1 345.409 3.386 20 0 EGADMP C[C@@H](Nc1cc[nH+]c2ccccc12)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000524945213 459406659 /nfs/dbraw/zinc/40/66/59/459406659.db2.gz PMTUGVAJKWELHP-VGSWGCGISA-N 2 1 347.462 3.358 20 0 EGADMP C[C@@H](Nc1cc[nH+]c2ccccc12)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000524945213 459406664 /nfs/dbraw/zinc/40/66/64/459406664.db2.gz PMTUGVAJKWELHP-VGSWGCGISA-N 2 1 347.462 3.358 20 0 EGADMP C[N@@H+](CCOc1ccc(Br)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000525001303 459410129 /nfs/dbraw/zinc/41/01/29/459410129.db2.gz LMLBZPQIHZXGRY-AWEZNQCLSA-N 2 1 341.293 3.102 20 0 EGADMP C[NH+](CCOc1ccc(Br)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000525001303 459410134 /nfs/dbraw/zinc/41/01/34/459410134.db2.gz LMLBZPQIHZXGRY-AWEZNQCLSA-N 2 1 341.293 3.102 20 0 EGADMP C[NH+](CCOc1ccc(Br)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000525001303 459410142 /nfs/dbraw/zinc/41/01/42/459410142.db2.gz LMLBZPQIHZXGRY-AWEZNQCLSA-N 2 1 341.293 3.102 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000541348895 459448090 /nfs/dbraw/zinc/44/80/90/459448090.db2.gz JHFWTIWBCOATBW-QUCCMNQESA-N 2 1 347.934 3.428 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497238479 459498251 /nfs/dbraw/zinc/49/82/51/459498251.db2.gz YJQIKPRTLJGXKM-IXDOHACOSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C/C=C/c3ccc(F)cc3F)C2)CC1 ZINC000542703159 459583803 /nfs/dbraw/zinc/58/38/03/459583803.db2.gz HYDJYGPBORNOHA-RTLBZRNLSA-N 2 1 349.469 3.078 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C/C=C/c3ccc(F)cc3F)C2)CC1 ZINC000542703159 459583809 /nfs/dbraw/zinc/58/38/09/459583809.db2.gz HYDJYGPBORNOHA-RTLBZRNLSA-N 2 1 349.469 3.078 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)CC1 ZINC000583702587 459584187 /nfs/dbraw/zinc/58/41/87/459584187.db2.gz YFHYKQYBBVQKOU-UHFFFAOYSA-N 2 1 349.906 3.475 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC/C=C/c3ccccc3)C2)CC1 ZINC000583733996 459587858 /nfs/dbraw/zinc/58/78/58/459587858.db2.gz CVCDPJVNCUQMLM-VMLCMGRWSA-N 2 1 327.516 3.190 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000592450476 459602354 /nfs/dbraw/zinc/60/23/54/459602354.db2.gz CPWHGMOKECBFNU-HDICACEKSA-N 2 1 345.531 3.123 20 0 EGADMP CCC[NH+](C)CC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000592450476 459602364 /nfs/dbraw/zinc/60/23/64/459602364.db2.gz CPWHGMOKECBFNU-HDICACEKSA-N 2 1 345.531 3.123 20 0 EGADMP CCC[NH+](C)CC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000592450476 459602369 /nfs/dbraw/zinc/60/23/69/459602369.db2.gz CPWHGMOKECBFNU-HDICACEKSA-N 2 1 345.531 3.123 20 0 EGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000573116098 459627987 /nfs/dbraw/zinc/62/79/87/459627987.db2.gz LLGYIMKXAZAIGU-FHWLQOOXSA-N 2 1 336.907 3.413 20 0 EGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000573116098 459627991 /nfs/dbraw/zinc/62/79/91/459627991.db2.gz LLGYIMKXAZAIGU-FHWLQOOXSA-N 2 1 336.907 3.413 20 0 EGADMP Cc1ccc2cc[nH+]c(N3CCC(OCCC[NH+](C)C)CC3)c2c1 ZINC000573202082 459641349 /nfs/dbraw/zinc/64/13/49/459641349.db2.gz LOAZJDXORDTUMQ-UHFFFAOYSA-N 2 1 327.472 3.480 20 0 EGADMP COc1ncc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000543459414 459660855 /nfs/dbraw/zinc/66/08/55/459660855.db2.gz SRNLVVRILRJEDB-HIFRSBDPSA-N 2 1 337.895 3.486 20 0 EGADMP COc1ncc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000543459414 459660862 /nfs/dbraw/zinc/66/08/62/459660862.db2.gz SRNLVVRILRJEDB-HIFRSBDPSA-N 2 1 337.895 3.486 20 0 EGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCN(C(C)(C)C)C3=O)CC2)C1 ZINC000584231631 459686903 /nfs/dbraw/zinc/68/69/03/459686903.db2.gz GYUUROZYJWBENL-NJAFHUGGSA-N 2 1 335.536 3.019 20 0 EGADMP COC(=O)c1ccc(F)c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000543752424 459696663 /nfs/dbraw/zinc/69/66/63/459696663.db2.gz DFUBSEIPSNLELC-UHFFFAOYSA-N 2 1 336.451 3.165 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000543777921 459699694 /nfs/dbraw/zinc/69/96/94/459699694.db2.gz PSNRVWGBZHVLSC-DYZFASSGSA-N 2 1 340.511 3.168 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CC[C@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000527925913 459773683 /nfs/dbraw/zinc/77/36/83/459773683.db2.gz KFUFAIRUGFYIBY-MHTWAQMVSA-N 2 1 328.500 3.303 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@](C)(O)C(F)(F)F ZINC000584775169 459799486 /nfs/dbraw/zinc/79/94/86/459799486.db2.gz DZGZLJATEXBNIT-ABFRBSLYSA-N 2 1 344.421 3.046 20 0 EGADMP O[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000574280914 459801478 /nfs/dbraw/zinc/80/14/78/459801478.db2.gz NMIBFPNIQZNCQP-PWRODBHTSA-N 2 1 328.500 3.136 20 0 EGADMP O[C@@H]1CCCC[C@H]1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000574280914 459801482 /nfs/dbraw/zinc/80/14/82/459801482.db2.gz NMIBFPNIQZNCQP-PWRODBHTSA-N 2 1 328.500 3.136 20 0 EGADMP O[C@@H]1CCCC[C@H]1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000574280914 459801486 /nfs/dbraw/zinc/80/14/86/459801486.db2.gz NMIBFPNIQZNCQP-PWRODBHTSA-N 2 1 328.500 3.136 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCSCc3ccccc3)C2)C1 ZINC000593315423 459839168 /nfs/dbraw/zinc/83/91/68/459839168.db2.gz JNLPGDITVQWBNR-QRVBRYPASA-N 2 1 334.529 3.138 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000575219142 459951004 /nfs/dbraw/zinc/95/10/04/459951004.db2.gz WHTCBVBYIPIUKJ-LSTHTHJFSA-N 2 1 332.488 3.016 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000575219142 459951009 /nfs/dbraw/zinc/95/10/09/459951009.db2.gz WHTCBVBYIPIUKJ-LSTHTHJFSA-N 2 1 332.488 3.016 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000575219142 459951017 /nfs/dbraw/zinc/95/10/17/459951017.db2.gz WHTCBVBYIPIUKJ-LSTHTHJFSA-N 2 1 332.488 3.016 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000575219142 459951022 /nfs/dbraw/zinc/95/10/22/459951022.db2.gz WHTCBVBYIPIUKJ-LSTHTHJFSA-N 2 1 332.488 3.016 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])ccc2o1 ZINC000593729023 459966368 /nfs/dbraw/zinc/96/63/68/459966368.db2.gz CRXHNKJXZBCRRO-BBRMVZONSA-N 2 1 330.428 3.169 20 0 EGADMP Cc1cccc(OCC[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000588710063 459974172 /nfs/dbraw/zinc/97/41/72/459974172.db2.gz GYTFJPAFXFIAQA-KDURUIRLSA-N 2 1 346.515 3.195 20 0 EGADMP OCCCSCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602539600 459989545 /nfs/dbraw/zinc/98/95/45/459989545.db2.gz RSNZDXCVXFFOCB-MJGOQNOKSA-N 2 1 334.529 3.060 20 0 EGADMP OCCCSCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602539600 459989552 /nfs/dbraw/zinc/98/95/52/459989552.db2.gz RSNZDXCVXFFOCB-MJGOQNOKSA-N 2 1 334.529 3.060 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621655413 459997650 /nfs/dbraw/zinc/99/76/50/459997650.db2.gz MQVMHOAFFSXADF-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP COC(=O)C1(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000589173105 460044826 /nfs/dbraw/zinc/04/48/26/460044826.db2.gz DEDOXROTTLXSSW-IEBWSBKVSA-N 2 1 344.499 3.220 20 0 EGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000621780013 460061241 /nfs/dbraw/zinc/06/12/41/460061241.db2.gz MKOSUBJJYJIOFA-BDJLRTHQSA-N 2 1 342.270 3.135 20 0 EGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000621780013 460061248 /nfs/dbraw/zinc/06/12/48/460061248.db2.gz MKOSUBJJYJIOFA-BDJLRTHQSA-N 2 1 342.270 3.135 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3cc(F)ccc3F)C2)CC1 ZINC000610250364 460098239 /nfs/dbraw/zinc/09/82/39/460098239.db2.gz WTJIGIROXBSTOG-WBVHZDCISA-N 2 1 337.458 3.126 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3cc(F)ccc3F)C2)CC1 ZINC000610250364 460098245 /nfs/dbraw/zinc/09/82/45/460098245.db2.gz WTJIGIROXBSTOG-WBVHZDCISA-N 2 1 337.458 3.126 20 0 EGADMP COC(=O)CC1CCC([NH2+]CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000599022555 460130033 /nfs/dbraw/zinc/13/00/33/460130033.db2.gz RCFLDWXJKVIGFC-UHFFFAOYSA-N 2 1 332.488 3.220 20 0 EGADMP CCOc1cc(C[NH2+]CCc2c[nH+]cn2C)ccc1OCC(C)C ZINC000623086940 460407091 /nfs/dbraw/zinc/40/70/91/460407091.db2.gz SQRQNQJFZJANLJ-UHFFFAOYSA-N 2 1 331.460 3.186 20 0 EGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCc3ccc4ccccc4c3)CC2)C1 ZINC000604389371 460418276 /nfs/dbraw/zinc/41/82/76/460418276.db2.gz ZMAHJLDVYJFSMP-JOCHJYFZSA-N 2 1 337.511 3.094 20 0 EGADMP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000604773120 460476875 /nfs/dbraw/zinc/47/68/75/460476875.db2.gz AAPTYTQAJBTNAS-IEBWSBKVSA-N 2 1 347.547 3.380 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000634732899 460498618 /nfs/dbraw/zinc/49/86/18/460498618.db2.gz ROYXACQBVCQOKM-HOJAQTOUSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCN1Cc1ccccc1 ZINC000634732899 460498621 /nfs/dbraw/zinc/49/86/21/460498621.db2.gz ROYXACQBVCQOKM-HOJAQTOUSA-N 2 1 329.532 3.407 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)[C@H](C)C1 ZINC000631668124 460500841 /nfs/dbraw/zinc/50/08/41/460500841.db2.gz VSQCDXCZFZPECP-UKAVVXHISA-N 2 1 329.532 3.074 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[C@H](C)C1 ZINC000631668124 460500846 /nfs/dbraw/zinc/50/08/46/460500846.db2.gz VSQCDXCZFZPECP-UKAVVXHISA-N 2 1 329.532 3.074 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[C@H](C)C1 ZINC000631668124 460500851 /nfs/dbraw/zinc/50/08/51/460500851.db2.gz VSQCDXCZFZPECP-UKAVVXHISA-N 2 1 329.532 3.074 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)[C@H](C)C1 ZINC000631668124 460500859 /nfs/dbraw/zinc/50/08/59/460500859.db2.gz VSQCDXCZFZPECP-UKAVVXHISA-N 3 1 329.532 3.074 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)[C@H](C)C1 ZINC000631668124 460500864 /nfs/dbraw/zinc/50/08/64/460500864.db2.gz VSQCDXCZFZPECP-UKAVVXHISA-N 3 1 329.532 3.074 20 0 EGADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[C@H](C)C1 ZINC000631668124 460500867 /nfs/dbraw/zinc/50/08/67/460500867.db2.gz VSQCDXCZFZPECP-UKAVVXHISA-N 3 1 329.532 3.074 20 0 EGADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[C@H](C)C1 ZINC000631668124 460500869 /nfs/dbraw/zinc/50/08/69/460500869.db2.gz VSQCDXCZFZPECP-UKAVVXHISA-N 3 1 329.532 3.074 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000631720258 460531850 /nfs/dbraw/zinc/53/18/50/460531850.db2.gz RLOIJCYTXTZCCK-DWBZUHSKSA-N 2 1 342.405 3.083 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000631720258 460531855 /nfs/dbraw/zinc/53/18/55/460531855.db2.gz RLOIJCYTXTZCCK-DWBZUHSKSA-N 2 1 342.405 3.083 20 0 EGADMP Cc1csc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)n1 ZINC000623903002 460768565 /nfs/dbraw/zinc/76/85/65/460768565.db2.gz WNZLWSGMADKODW-ZDUSSCGKSA-N 2 1 331.489 3.178 20 0 EGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000629535023 460799802 /nfs/dbraw/zinc/79/98/02/460799802.db2.gz BVYZRYOOKOHTPB-WAOWUJCRSA-N 2 1 345.531 3.486 20 0 EGADMP Brc1cnccc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000629547662 460804715 /nfs/dbraw/zinc/80/47/15/460804715.db2.gz VBTLXWRBMUBYLB-CQSZACIVSA-N 2 1 338.293 3.056 20 0 EGADMP C[N@H+](CCOCC[NH3+])Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000629581088 460812680 /nfs/dbraw/zinc/81/26/80/460812680.db2.gz MVSFPWOFGBCZNV-UHFFFAOYSA-N 2 1 344.242 3.056 20 0 EGADMP C[N@@H+](CCOCC[NH3+])Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000629581088 460812685 /nfs/dbraw/zinc/81/26/85/460812685.db2.gz MVSFPWOFGBCZNV-UHFFFAOYSA-N 2 1 344.242 3.056 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000629568873 460813565 /nfs/dbraw/zinc/81/35/65/460813565.db2.gz VIWIAQZDNASDLD-RISCZKNCSA-N 2 1 336.785 3.178 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000629568873 460813570 /nfs/dbraw/zinc/81/35/70/460813570.db2.gz VIWIAQZDNASDLD-RISCZKNCSA-N 2 1 336.785 3.178 20 0 EGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617349597 460824024 /nfs/dbraw/zinc/82/40/24/460824024.db2.gz SCYPCZPQVBAHPD-CQSZACIVSA-N 2 1 343.471 3.097 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)c1OC ZINC000624122870 460872898 /nfs/dbraw/zinc/87/28/98/460872898.db2.gz AHWSFTNWEHNQEJ-NVXWUHKLSA-N 2 1 334.504 3.265 20 0 EGADMP CC1CC[NH+](Cc2ccccc2CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000629948734 460968868 /nfs/dbraw/zinc/96/88/68/460968868.db2.gz MLHSGLGIKIDMMB-UHFFFAOYSA-N 2 1 343.515 3.019 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1 ZINC000613659723 461029241 /nfs/dbraw/zinc/02/92/41/461029241.db2.gz CWQGHZPPKDKATH-RTBURBONSA-N 2 1 331.504 3.131 20 0 EGADMP C[C@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000624579317 461058729 /nfs/dbraw/zinc/05/87/29/461058729.db2.gz DXNAYTMYAINURA-CEXWTWQISA-N 2 1 349.563 3.362 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+]([C@@H](C(=O)Nc1ccccc1)c1ccccc1)C2 ZINC000652351184 461145182 /nfs/dbraw/zinc/14/51/82/461145182.db2.gz KXLIUEPNWXRQGF-DWLFOUALSA-N 2 1 349.478 3.427 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@@H](C(=O)Nc1ccccc1)c1ccccc1)C2 ZINC000652351184 461145191 /nfs/dbraw/zinc/14/51/91/461145191.db2.gz KXLIUEPNWXRQGF-DWLFOUALSA-N 2 1 349.478 3.427 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])cc2)n1 ZINC000652355111 461148984 /nfs/dbraw/zinc/14/89/84/461148984.db2.gz PMBMHJTXNATPOE-YWZLYKJASA-N 2 1 326.488 3.438 20 0 EGADMP Cc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])C2CC2)cc1 ZINC000652353810 461149026 /nfs/dbraw/zinc/14/90/26/461149026.db2.gz DMFZTMWRBMJCRY-SCWSEQNSSA-N 2 1 343.515 3.012 20 0 EGADMP Cc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])C2CC2)cc1 ZINC000652353810 461149031 /nfs/dbraw/zinc/14/90/31/461149031.db2.gz DMFZTMWRBMJCRY-SCWSEQNSSA-N 2 1 343.515 3.012 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(-c3ccccc3)on2)C1 ZINC000652363948 461158359 /nfs/dbraw/zinc/15/83/59/461158359.db2.gz SQIOCXLWYIZIHH-POAQFYNOSA-N 2 1 341.455 3.202 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCSc2cccc(Cl)c2)CC12CCOCC2 ZINC000662272742 461160619 /nfs/dbraw/zinc/16/06/19/461160619.db2.gz IBZMQHJUDJCOSG-CQSZACIVSA-N 2 1 340.920 3.119 20 0 EGADMP COc1cccc(SCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000662272927 461161161 /nfs/dbraw/zinc/16/11/61/461161161.db2.gz IJAYXMYGEILLFY-IRXDYDNUSA-N 2 1 334.529 3.499 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC[C@@H]3CCc4ccccc43)C2)C1 ZINC000662286943 461167539 /nfs/dbraw/zinc/16/75/39/461167539.db2.gz UQDNVWXKDXRXSK-HUUJSLGLSA-N 2 1 328.500 3.325 20 0 EGADMP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295175 461172831 /nfs/dbraw/zinc/17/28/31/461172831.db2.gz FSASCAQAFYVBON-SJLPKXTDSA-N 2 1 329.488 3.034 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297453 461175880 /nfs/dbraw/zinc/17/58/80/461175880.db2.gz QELHCPUWBIQFEX-ZBFHGGJFSA-N 2 1 349.906 3.379 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297452 461176593 /nfs/dbraw/zinc/17/65/93/461176593.db2.gz QELHCPUWBIQFEX-HOCLYGCPSA-N 2 1 349.906 3.379 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCc2nc(-c3ccccc3)no2)[C@@H]1CCC[NH3+] ZINC000662314244 461185627 /nfs/dbraw/zinc/18/56/27/461185627.db2.gz OROYSWOREPRUCE-NVXWUHKLSA-N 2 1 328.460 3.119 20 0 EGADMP COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])n2)cc1 ZINC000662314601 461186138 /nfs/dbraw/zinc/18/61/38/461186138.db2.gz ONUNGVMPPVZMQT-RHSMWYFYSA-N 2 1 344.459 3.085 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)[C@@H]1CCC[NH3+] ZINC000662317598 461189751 /nfs/dbraw/zinc/18/97/51/461189751.db2.gz SLMLPEVNDGEBSD-RHSMWYFYSA-N 2 1 347.894 3.260 20 0 EGADMP CN(c1nc2ccc(F)cc2s1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000641370799 461231731 /nfs/dbraw/zinc/23/17/31/461231731.db2.gz HOTAXCVTHYNWFI-OAHLLOKOSA-N 2 1 348.491 3.040 20 0 EGADMP CN(c1nc2ccc(F)cc2s1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000641370799 461231736 /nfs/dbraw/zinc/23/17/36/461231736.db2.gz HOTAXCVTHYNWFI-OAHLLOKOSA-N 2 1 348.491 3.040 20 0 EGADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662415417 461235948 /nfs/dbraw/zinc/23/59/48/461235948.db2.gz FRMMJMYFFHGUCZ-NHYWBVRUSA-N 2 1 346.302 3.100 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cccc2c1C[NH2+]C2 ZINC000662472906 461257336 /nfs/dbraw/zinc/25/73/36/461257336.db2.gz QLUMYMCYUNEPPF-QGZVFWFLSA-N 2 1 349.478 3.026 20 0 EGADMP CN(C(=O)c1cccc2c1C[NH2+]C2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000662486147 461265083 /nfs/dbraw/zinc/26/50/83/461265083.db2.gz LOWSZWPVQPWGMH-LJQANCHMSA-N 2 1 349.478 3.026 20 0 EGADMP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000633953427 461352421 /nfs/dbraw/zinc/35/24/21/461352421.db2.gz JDNCMWUJUWHDHB-KSZLIROESA-N 2 1 335.536 3.115 20 0 EGADMP c1sc2ccccc2c1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655701497 461373782 /nfs/dbraw/zinc/37/37/82/461373782.db2.gz FZPBQWAWHMMFIO-QGZVFWFLSA-N 2 1 330.497 3.287 20 0 EGADMP Cc1[nH]c2ccccc2c1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655708486 461377633 /nfs/dbraw/zinc/37/76/33/461377633.db2.gz QOKQRVBAEZFSMS-SFHVURJKSA-N 2 1 341.499 3.252 20 0 EGADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000641801720 461379475 /nfs/dbraw/zinc/37/94/75/461379475.db2.gz FLBPYGOZFCEXPW-WOJBJXKFSA-N 2 1 349.478 3.165 20 0 EGADMP Cc1cccc2c(CC[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)c[nH]c21 ZINC000655716423 461384953 /nfs/dbraw/zinc/38/49/53/461384953.db2.gz XDEGDZLOKXWBFI-LJQANCHMSA-N 2 1 341.499 3.252 20 0 EGADMP CO[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)[C@@H]1CCOC1 ZINC000638367143 461390786 /nfs/dbraw/zinc/39/07/86/461390786.db2.gz MKXLZMLWYCXJMH-IOMROCGXSA-N 2 1 346.515 3.202 20 0 EGADMP c1c2ccccc2oc1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655730858 461398749 /nfs/dbraw/zinc/39/87/49/461398749.db2.gz UQVOBIYGBUMSIP-LJQANCHMSA-N 2 1 328.456 3.208 20 0 EGADMP CC[C@H](C)[C@@H](C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)OC ZINC000638524589 461466245 /nfs/dbraw/zinc/46/62/45/461466245.db2.gz RQLSFZJZBSVGTL-KBXCAEBGSA-N 2 1 337.508 3.154 20 0 EGADMP O[C@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000655840509 461492001 /nfs/dbraw/zinc/49/20/01/461492001.db2.gz YDCAOSUNBYUWKH-GDXKHXNESA-N 2 1 348.490 3.430 20 0 EGADMP O[C@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000655840509 461492007 /nfs/dbraw/zinc/49/20/07/461492007.db2.gz YDCAOSUNBYUWKH-GDXKHXNESA-N 2 1 348.490 3.430 20 0 EGADMP COc1ccccc1N1CCC([NH2+]C[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000631063954 461514821 /nfs/dbraw/zinc/51/48/21/461514821.db2.gz PDNPHFKNGDNVES-INIZCTEOSA-N 2 1 342.487 3.095 20 0 EGADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000638671420 461527466 /nfs/dbraw/zinc/52/74/66/461527466.db2.gz PPHBQNOGIARDEU-PASDCYSWSA-N 2 1 349.544 3.168 20 0 EGADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000638671420 461527478 /nfs/dbraw/zinc/52/74/78/461527478.db2.gz PPHBQNOGIARDEU-PASDCYSWSA-N 2 1 349.544 3.168 20 0 EGADMP CO[C@H](C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C1CC1 ZINC000638672666 461528107 /nfs/dbraw/zinc/52/81/07/461528107.db2.gz XKELFSHXWMEBEZ-HXUWFJFHSA-N 2 1 328.456 3.426 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(F)c1N ZINC000638716879 461546865 /nfs/dbraw/zinc/54/68/65/461546865.db2.gz DDLOCEMLJMPUQD-KXBFYZLASA-N 2 1 327.447 3.408 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(F)c1N ZINC000638716879 461546870 /nfs/dbraw/zinc/54/68/70/461546870.db2.gz DDLOCEMLJMPUQD-KXBFYZLASA-N 2 1 327.447 3.408 20 0 EGADMP CC[N@@H+](CCCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])C1CCCCC1 ZINC000653200905 461555010 /nfs/dbraw/zinc/55/50/10/461555010.db2.gz UCVKVRVZCSKADD-ZVBHREPYSA-N 2 1 349.563 3.301 20 0 EGADMP COCCc1ncc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000631112474 461559176 /nfs/dbraw/zinc/55/91/76/461559176.db2.gz ZWLVXXYBQMNZHT-GJZGRUSLSA-N 2 1 337.533 3.075 20 0 EGADMP COCCc1ncc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000631112474 461559185 /nfs/dbraw/zinc/55/91/85/461559185.db2.gz ZWLVXXYBQMNZHT-GJZGRUSLSA-N 2 1 337.533 3.075 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CCO[C@@H]3C3CC3)CC23CC3)cc1 ZINC000647197365 461559684 /nfs/dbraw/zinc/55/96/84/461559684.db2.gz PUKQTLIMHVHJKX-SLFFLAALSA-N 2 1 326.484 3.341 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCO[C@@H]3C3CC3)CC23CC3)cc1 ZINC000647197365 461559688 /nfs/dbraw/zinc/55/96/88/461559688.db2.gz PUKQTLIMHVHJKX-SLFFLAALSA-N 2 1 326.484 3.341 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000663343937 461571495 /nfs/dbraw/zinc/57/14/95/461571495.db2.gz KGZUINRRCZTUQD-KRWDZBQOSA-N 2 1 342.487 3.200 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663344385 461571877 /nfs/dbraw/zinc/57/18/77/461571877.db2.gz SKRUAYSCXUQXCW-YLJYHZDGSA-N 2 1 346.515 3.312 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H](CC(C)C)c2ccc(OC)cc2)CC1 ZINC000647284915 461613407 /nfs/dbraw/zinc/61/34/07/461613407.db2.gz RXWZXRXMEUGGOS-HXUWFJFHSA-N 2 1 334.504 3.483 20 0 EGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000647290015 461614714 /nfs/dbraw/zinc/61/47/14/461614714.db2.gz SPVWBYKNARSVGI-AEFFLSMTSA-N 2 1 338.442 3.037 20 0 EGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000647290015 461614724 /nfs/dbraw/zinc/61/47/24/461614724.db2.gz SPVWBYKNARSVGI-AEFFLSMTSA-N 2 1 338.442 3.037 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(-n2ccnn2)c1 ZINC000663466574 461655047 /nfs/dbraw/zinc/65/50/47/461655047.db2.gz VSTYLAKNMHTBGU-AEFFLSMTSA-N 2 1 339.487 3.040 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)c(C)n2n1 ZINC000663467188 461658376 /nfs/dbraw/zinc/65/83/76/461658376.db2.gz DDZZTQNWHCKJFT-YJBOKZPZSA-N 2 1 341.503 3.119 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)c(C)n2n1 ZINC000663467188 461658383 /nfs/dbraw/zinc/65/83/83/461658383.db2.gz DDZZTQNWHCKJFT-YJBOKZPZSA-N 2 1 341.503 3.119 20 0 EGADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469582 461660128 /nfs/dbraw/zinc/66/01/28/461660128.db2.gz QVAFOJOKBNMSPE-NVXWUHKLSA-N 2 1 347.478 3.254 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000663471770 461661910 /nfs/dbraw/zinc/66/19/10/461661910.db2.gz XWVHOJOECIJPOL-WBVHZDCISA-N 2 1 330.472 3.230 20 0 EGADMP CC1(C)C[C@@]1(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000663478085 461666075 /nfs/dbraw/zinc/66/60/75/461666075.db2.gz YZEQGXWBCDGTKU-PZJWPPBQSA-N 2 1 328.500 3.197 20 0 EGADMP Cc1nc2c(n1[C@@H]1CC[N@H+]([C@H](c3nccn3C)C3CC3)C1)CCCC2 ZINC000639077425 461709326 /nfs/dbraw/zinc/70/93/26/461709326.db2.gz WWWZGAGTLYOIPM-APWZRJJASA-N 2 1 339.487 3.202 20 0 EGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@H](c3nccn3C)C3CC3)C1)CCCC2 ZINC000639077425 461709344 /nfs/dbraw/zinc/70/93/44/461709344.db2.gz WWWZGAGTLYOIPM-APWZRJJASA-N 2 1 339.487 3.202 20 0 EGADMP CC[C@H]1C[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)CC[C@H]1[NH3+] ZINC000647498873 461739421 /nfs/dbraw/zinc/73/94/21/461739421.db2.gz SMPMNQRTBVAFAC-MAUKXSAKSA-N 2 1 332.879 3.144 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)CC[C@H]1[NH3+] ZINC000647498873 461739428 /nfs/dbraw/zinc/73/94/28/461739428.db2.gz SMPMNQRTBVAFAC-MAUKXSAKSA-N 2 1 332.879 3.144 20 0 EGADMP C[C@H](N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000643480209 461740209 /nfs/dbraw/zinc/74/02/09/461740209.db2.gz FTOPEMDQMNLFQY-RKFFNLMFSA-N 2 1 327.516 3.017 20 0 EGADMP CN(C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000666657054 461742268 /nfs/dbraw/zinc/74/22/68/461742268.db2.gz LMHSBBOFLSVIDK-SFHVURJKSA-N 2 1 344.503 3.277 20 0 EGADMP c1ccc2c(c1)onc2CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000653587110 461743039 /nfs/dbraw/zinc/74/30/39/461743039.db2.gz PPMWFIGDUMEGLF-HNAYVOBHSA-N 2 1 325.456 3.319 20 0 EGADMP c1ccc2c(c1)onc2CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000653587110 461743044 /nfs/dbraw/zinc/74/30/44/461743044.db2.gz PPMWFIGDUMEGLF-HNAYVOBHSA-N 2 1 325.456 3.319 20 0 EGADMP c1ccc2c(c1)onc2CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000653587110 461743052 /nfs/dbraw/zinc/74/30/52/461743052.db2.gz PPMWFIGDUMEGLF-HNAYVOBHSA-N 2 1 325.456 3.319 20 0 EGADMP COC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(C(F)(F)F)c1 ZINC000653605497 461754951 /nfs/dbraw/zinc/75/49/51/461754951.db2.gz ZXFINJWJSOFXNR-MRXNPFEDSA-N 2 1 341.377 3.349 20 0 EGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542775 461756537 /nfs/dbraw/zinc/75/65/37/461756537.db2.gz BPYOAYGTFBWMMR-ROUUACIJSA-N 2 1 332.536 3.467 20 0 EGADMP Cc1cc(CO)cc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)[nH+]1 ZINC000663721890 461773157 /nfs/dbraw/zinc/77/31/57/461773157.db2.gz ZASRVDDWJMDVDF-QGZVFWFLSA-N 2 1 331.504 3.363 20 0 EGADMP Cc1cc(CO)cc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)[nH+]1 ZINC000663721890 461773163 /nfs/dbraw/zinc/77/31/63/461773163.db2.gz ZASRVDDWJMDVDF-QGZVFWFLSA-N 2 1 331.504 3.363 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000653640462 461776640 /nfs/dbraw/zinc/77/66/40/461776640.db2.gz MJLXEPNVVNRSLX-IRXDYDNUSA-N 2 1 337.826 3.265 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](OC)C1CCOCC1 ZINC000639170731 461779384 /nfs/dbraw/zinc/77/93/84/461779384.db2.gz HJEHHQNQFSNJRA-HXUWFJFHSA-N 2 1 334.504 3.012 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@@H+](C)C[C@@H]1CCn3ccnc3C1)CC2 ZINC000639178431 461785878 /nfs/dbraw/zinc/78/58/78/461785878.db2.gz IPUYFTZXHXZMHR-PBHICJAKSA-N 2 1 341.455 3.082 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@H+](C)C[C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000639178431 461785882 /nfs/dbraw/zinc/78/58/82/461785882.db2.gz IPUYFTZXHXZMHR-PBHICJAKSA-N 2 1 341.455 3.082 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@@H+](C)C[C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000639178431 461785888 /nfs/dbraw/zinc/78/58/88/461785888.db2.gz IPUYFTZXHXZMHR-PBHICJAKSA-N 2 1 341.455 3.082 20 0 EGADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639180406 461788502 /nfs/dbraw/zinc/78/85/02/461788502.db2.gz WQAGZCMZNLGZMF-WMLDXEAASA-N 2 1 331.410 3.429 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639180406 461788511 /nfs/dbraw/zinc/78/85/11/461788511.db2.gz WQAGZCMZNLGZMF-WMLDXEAASA-N 2 1 331.410 3.429 20 0 EGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639180406 461788521 /nfs/dbraw/zinc/78/85/21/461788521.db2.gz WQAGZCMZNLGZMF-WMLDXEAASA-N 2 1 331.410 3.429 20 0 EGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639180406 461788525 /nfs/dbraw/zinc/78/85/25/461788525.db2.gz WQAGZCMZNLGZMF-WMLDXEAASA-N 2 1 331.410 3.429 20 0 EGADMP C[C@H]([NH2+]CC(=O)NCC[NH+]1CCCCCC1)c1cc2ccccc2o1 ZINC000656629904 461813346 /nfs/dbraw/zinc/81/33/46/461813346.db2.gz XDGXBMIHVGQSLX-INIZCTEOSA-N 2 1 343.471 3.076 20 0 EGADMP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000639244758 461823037 /nfs/dbraw/zinc/82/30/37/461823037.db2.gz OWTGZVAYVRFNQW-GHTZIAJQSA-N 2 1 336.483 3.285 20 0 EGADMP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000639244758 461823046 /nfs/dbraw/zinc/82/30/46/461823046.db2.gz OWTGZVAYVRFNQW-GHTZIAJQSA-N 2 1 336.483 3.285 20 0 EGADMP c1cc2c(cc[nH+]c2NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[nH]1 ZINC000663844251 461833300 /nfs/dbraw/zinc/83/33/00/461833300.db2.gz AVYRWPJFGZFCQQ-QGZVFWFLSA-N 2 1 336.439 3.266 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000647938871 461896729 /nfs/dbraw/zinc/89/67/29/461896729.db2.gz WINZAFPRCHJZBM-PXNSSMCTSA-N 2 1 337.467 3.498 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3c(F)cccc3Cl)C2)C1 ZINC000650705636 461897644 /nfs/dbraw/zinc/89/76/44/461897644.db2.gz OQVHFGWTXYGVRX-AHIWAGSCSA-N 2 1 326.843 3.197 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000650705813 461898202 /nfs/dbraw/zinc/89/82/02/461898202.db2.gz XCUORRBQIUHDEW-INMHGKMJSA-N 2 1 342.405 3.424 20 0 EGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650706500 461899592 /nfs/dbraw/zinc/89/95/92/461899592.db2.gz LXNLPYAVHSQWGK-NSHGMRRFSA-N 2 1 332.488 3.192 20 0 EGADMP CCCOc1ccc(OCCN2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660651464 461902766 /nfs/dbraw/zinc/90/27/66/461902766.db2.gz AJGRBZMUFXVJHK-FQEVSTJZSA-N 2 1 332.488 3.272 20 0 EGADMP CCCOc1ccc(OCC[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660651464 461902774 /nfs/dbraw/zinc/90/27/74/461902774.db2.gz AJGRBZMUFXVJHK-FQEVSTJZSA-N 2 1 332.488 3.272 20 0 EGADMP CCCOc1ccc(OCC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660651464 461902783 /nfs/dbraw/zinc/90/27/83/461902783.db2.gz AJGRBZMUFXVJHK-FQEVSTJZSA-N 2 1 332.488 3.272 20 0 EGADMP c1ccc(OCc2cccnc2)c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666995009 461903221 /nfs/dbraw/zinc/90/32/21/461903221.db2.gz ACTSDRBQYNNQPI-IBGZPJMESA-N 2 1 337.467 3.425 20 0 EGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1cc(Cl)c3c(c1)OCCO3)C2 ZINC000660651787 461903436 /nfs/dbraw/zinc/90/34/36/461903436.db2.gz CHQMFRSHQYSJHQ-SFHVURJKSA-N 2 1 336.863 3.029 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993758 461903396 /nfs/dbraw/zinc/90/33/96/461903396.db2.gz HIPPQNGFRNRUCG-KRWDZBQOSA-N 2 1 328.435 3.084 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C2 ZINC000650709313 461904142 /nfs/dbraw/zinc/90/41/42/461904142.db2.gz QHQNVZVISNWWKZ-YJBOKZPZSA-N 2 1 330.863 3.291 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(SC)cc1OC ZINC000666996809 461904407 /nfs/dbraw/zinc/90/44/07/461904407.db2.gz GMMNNERZYKYZPI-CQSZACIVSA-N 2 1 336.501 3.190 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998547 461905459 /nfs/dbraw/zinc/90/54/59/461905459.db2.gz ZWKCMTOVPDWEBV-IBGZPJMESA-N 2 1 338.499 3.313 20 0 EGADMP CC(C)(C)C(=O)N1CCC[C@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000647959091 461908184 /nfs/dbraw/zinc/90/81/84/461908184.db2.gz XDOGYUDRLMXFEE-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1nn2c(nc(C(C)C)c2C[NH2+]Cc2ccc(C[NH3+])cc2F)s1 ZINC000650717793 461910212 /nfs/dbraw/zinc/91/02/12/461910212.db2.gz MPOAVNKRYOFFRZ-UHFFFAOYSA-N 2 1 347.463 3.110 20 0 EGADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975092 461916373 /nfs/dbraw/zinc/91/63/73/461916373.db2.gz KROAWVIXSNPXCA-WDSOQIARSA-N 2 1 343.515 3.288 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975210 461916796 /nfs/dbraw/zinc/91/67/96/461916796.db2.gz QIXMOMISUZKFOR-MSOLQXFVSA-N 2 1 343.515 3.460 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(OC(F)F)c2)C1 ZINC000650723853 461917004 /nfs/dbraw/zinc/91/70/04/461917004.db2.gz VAYBZSGZAVZMEW-DJIMGWMZSA-N 2 1 340.414 3.149 20 0 EGADMP CCOc1ccccc1OCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977570 461918508 /nfs/dbraw/zinc/91/85/08/461918508.db2.gz DQEHVMBWERFADF-QZTJIDSGSA-N 2 1 332.488 3.176 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000648053083 461959915 /nfs/dbraw/zinc/95/99/15/461959915.db2.gz GVZRXEPUXXMESH-LJQANCHMSA-N 2 1 325.456 3.012 20 0 EGADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000648150760 461989559 /nfs/dbraw/zinc/98/95/59/461989559.db2.gz ULWGCXGHGZPXOQ-KRWDZBQOSA-N 2 1 337.895 3.063 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2ccccc2F)C1 ZINC000644603673 462006094 /nfs/dbraw/zinc/00/60/94/462006094.db2.gz PZMYTAIGWSFHSV-MRXNPFEDSA-N 2 1 335.467 3.112 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657310343 462033987 /nfs/dbraw/zinc/03/39/87/462033987.db2.gz CCJFZPBFOYJOOL-GHTZIAJQSA-N 2 1 346.515 3.456 20 0 EGADMP Cc1c[nH]c(C[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)n1 ZINC000657313552 462037583 /nfs/dbraw/zinc/03/75/83/462037583.db2.gz JRLBLPDNDKKQDM-IYBDPMFKSA-N 2 1 326.488 3.486 20 0 EGADMP Cc1c[nH]c(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)n1 ZINC000657313552 462037589 /nfs/dbraw/zinc/03/75/89/462037589.db2.gz JRLBLPDNDKKQDM-IYBDPMFKSA-N 2 1 326.488 3.486 20 0 EGADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(O[C@@H](C)COC)cc2)CC1 ZINC000657336052 462054727 /nfs/dbraw/zinc/05/47/27/462054727.db2.gz OKACZHZTOVHLEI-KRWDZBQOSA-N 2 1 334.504 3.454 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000657347959 462062528 /nfs/dbraw/zinc/06/25/28/462062528.db2.gz YVXPTMSNBZSLLJ-CVEARBPZSA-N 2 1 331.460 3.031 20 0 EGADMP Cc1cccc2[nH]c(C[NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)cc21 ZINC000657372930 462079108 /nfs/dbraw/zinc/07/91/08/462079108.db2.gz LXHWYEWNQUZDRT-QFIPXVFZSA-N 2 1 349.478 3.203 20 0 EGADMP Cc1cccc2[nH]c(C[NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc21 ZINC000657372930 462079116 /nfs/dbraw/zinc/07/91/16/462079116.db2.gz LXHWYEWNQUZDRT-QFIPXVFZSA-N 2 1 349.478 3.203 20 0 EGADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000651130777 462099522 /nfs/dbraw/zinc/09/95/22/462099522.db2.gz MZBHOOXAPKWODP-XMSQKQJNSA-N 2 1 338.495 3.405 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc3c(cccc3C)[nH]2)C1 ZINC000667681795 462211054 /nfs/dbraw/zinc/21/10/54/462211054.db2.gz RNSDIWLAWNKJDE-SFHVURJKSA-N 2 1 329.488 3.409 20 0 EGADMP c1nc2n(c1C[N@@H+]1CC[C@@H](OCCCc3ccccc3)C1)CCC2 ZINC000667687854 462214532 /nfs/dbraw/zinc/21/45/32/462214532.db2.gz ZFXVOUUTGLQMTH-LJQANCHMSA-N 2 1 325.456 3.053 20 0 EGADMP c1nc2n(c1CN1CC[C@@H](OCCCc3ccccc3)C1)CCC2 ZINC000667687854 462214534 /nfs/dbraw/zinc/21/45/34/462214534.db2.gz ZFXVOUUTGLQMTH-LJQANCHMSA-N 2 1 325.456 3.053 20 0 EGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cnc2n1CCC2 ZINC000667687670 462214880 /nfs/dbraw/zinc/21/48/80/462214880.db2.gz UCHFIFFSFZLIJU-MRXNPFEDSA-N 2 1 335.455 3.152 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667727633 462233375 /nfs/dbraw/zinc/23/33/75/462233375.db2.gz DJNAKDNSOQJVQG-OAHLLOKOSA-N 2 1 332.492 3.167 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000661429325 462243964 /nfs/dbraw/zinc/24/39/64/462243964.db2.gz YEIHQMLRRHUHQU-IBGZPJMESA-N 2 1 347.890 3.388 20 0 EGADMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc12 ZINC000657750277 462249960 /nfs/dbraw/zinc/24/99/60/462249960.db2.gz GBSXTFNPZWTUHJ-GOSISDBHSA-N 2 1 340.467 3.191 20 0 EGADMP Cc1cc(NC(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cn2cc[nH+]c12 ZINC000640157879 462288194 /nfs/dbraw/zinc/28/81/94/462288194.db2.gz HGGBGPPJWMRIPD-DOTOQJQBSA-N 2 1 343.475 3.227 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657836987 462289575 /nfs/dbraw/zinc/28/95/75/462289575.db2.gz WOAVJIGWBRFFBK-HNNXBMFYSA-N 2 1 340.462 3.088 20 0 EGADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000657872729 462304895 /nfs/dbraw/zinc/30/48/95/462304895.db2.gz PEUWTGASIUTANZ-LJQANCHMSA-N 2 1 337.939 3.278 20 0 EGADMP CC[NH+](CC)CCN(CCc1c[nH+]cn1C)Cc1ccc(Cl)cc1 ZINC000661575782 462316045 /nfs/dbraw/zinc/31/60/45/462316045.db2.gz MBFMMVGGHBBOPP-UHFFFAOYSA-N 2 1 348.922 3.460 20 0 EGADMP Cc1noc(C2CCC([NH2+][C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)CC2)n1 ZINC000665252314 462368695 /nfs/dbraw/zinc/36/86/95/462368695.db2.gz MOFAXMKVUVZYQN-CSODTCANSA-N 2 1 340.471 3.140 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000658092963 462380678 /nfs/dbraw/zinc/38/06/78/462380678.db2.gz SOVIMQTYJRLPPY-HOJAQTOUSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092963 462380683 /nfs/dbraw/zinc/38/06/83/462380683.db2.gz SOVIMQTYJRLPPY-HOJAQTOUSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092963 462380686 /nfs/dbraw/zinc/38/06/86/462380686.db2.gz SOVIMQTYJRLPPY-HOJAQTOUSA-N 2 1 329.532 3.359 20 0 EGADMP CN(C(=O)CC[N@@H+](C)CCCC[NH+]1CCCCC1)c1ccccc1 ZINC000640532600 462431474 /nfs/dbraw/zinc/43/14/74/462431474.db2.gz HAHBBCQTQUTJRB-UHFFFAOYSA-N 2 1 331.504 3.237 20 0 EGADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc(-c2ccccc2)no1 ZINC000640532828 462431619 /nfs/dbraw/zinc/43/16/19/462431619.db2.gz WVGOJJDYRLHOCD-UHFFFAOYSA-N 2 1 328.460 3.435 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc(-c2ccccc2)no1 ZINC000640532828 462431632 /nfs/dbraw/zinc/43/16/32/462431632.db2.gz WVGOJJDYRLHOCD-UHFFFAOYSA-N 2 1 328.460 3.435 20 0 EGADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3c(C4CC4)cnn3C)CC2)C1 ZINC000658213904 462431965 /nfs/dbraw/zinc/43/19/65/462431965.db2.gz UKHGODUUQLHSBT-YJBOKZPZSA-N 2 1 330.520 3.430 20 0 EGADMP OC1(C(F)(F)F)CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000658228312 462435281 /nfs/dbraw/zinc/43/52/81/462435281.db2.gz HMSRZHPRTWMZLA-NPCAHTBFSA-N 2 1 334.426 3.219 20 0 EGADMP OC1(C(F)(F)F)CCC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000658228312 462435283 /nfs/dbraw/zinc/43/52/83/462435283.db2.gz HMSRZHPRTWMZLA-NPCAHTBFSA-N 2 1 334.426 3.219 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652140371 462447352 /nfs/dbraw/zinc/44/73/52/462447352.db2.gz MIUVXGUXMPPQQB-ZACQAIPSSA-N 2 1 348.487 3.380 20 0 EGADMP C[N@@H+](CCCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)C1CCCCC1 ZINC000649293874 462469018 /nfs/dbraw/zinc/46/90/18/462469018.db2.gz NSGDYPDFZYMPRI-KRWDZBQOSA-N 2 1 337.895 3.111 20 0 EGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103430 462518810 /nfs/dbraw/zinc/51/88/10/462518810.db2.gz FVZQECVOWDOYCU-CQSZACIVSA-N 2 1 340.414 3.146 20 0 EGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(NC[C@H]2CCC[C@H]([NH3+])C2)cc[nH+]1 ZINC000514593857 467942048 /nfs/dbraw/zinc/94/20/48/467942048.db2.gz YZWDZINAVWMIGX-OVWQWFNUSA-N 2 1 347.507 3.022 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC[N@@H+]1C ZINC000179524919 533961742 /nfs/dbraw/zinc/96/17/42/533961742.db2.gz JUQVRNOFAVIEOS-MGPQQGTHSA-N 2 1 325.859 3.130 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC[N@H+]1C ZINC000179524919 533961747 /nfs/dbraw/zinc/96/17/47/533961747.db2.gz JUQVRNOFAVIEOS-MGPQQGTHSA-N 2 1 325.859 3.130 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc2ccccc2o1 ZINC000271517068 518183187 /nfs/dbraw/zinc/18/31/87/518183187.db2.gz OWCHIWVLWDIHCV-QGTPRVQTSA-N 2 1 328.456 3.461 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000177969181 534446996 /nfs/dbraw/zinc/44/69/96/534446996.db2.gz OCIXGJFOVCRRSQ-LVCYWYKZSA-N 2 1 329.532 3.012 20 0 EGADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)c1cccc(OC)c1 ZINC000191459338 528451950 /nfs/dbraw/zinc/45/19/50/528451950.db2.gz UHVCTJGLDTZPER-LJQANCHMSA-N 2 1 347.547 3.494 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000191472022 528867170 /nfs/dbraw/zinc/86/71/70/528867170.db2.gz VHLVTMDBQUBISR-KRWDZBQOSA-N 2 1 342.487 3.493 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000191472022 528867177 /nfs/dbraw/zinc/86/71/77/528867177.db2.gz VHLVTMDBQUBISR-KRWDZBQOSA-N 2 1 342.487 3.493 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000154532600 529143734 /nfs/dbraw/zinc/14/37/34/529143734.db2.gz QHZBUAXUNYNISW-IBGZPJMESA-N 2 1 335.923 3.335 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000246736153 535214272 /nfs/dbraw/zinc/21/42/72/535214272.db2.gz QETBHJSQMWVEPY-BZSNNMDCSA-N 2 1 337.552 3.218 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000338382733 535602805 /nfs/dbraw/zinc/60/28/05/535602805.db2.gz BCWKXPDBSAVVFO-UHFFFAOYSA-N 2 1 331.504 3.133 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000338152960 535602813 /nfs/dbraw/zinc/60/28/13/535602813.db2.gz ZYBNTZCLEKDLLO-QZTJIDSGSA-N 2 1 345.531 3.379 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1)C1CC1 ZINC000338040631 535782570 /nfs/dbraw/zinc/78/25/70/535782570.db2.gz COIBWORQLDBOEI-UHFFFAOYSA-N 2 1 343.515 3.274 20 0 EGADMP CC[C@]1(C)C[C@@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363965493 535925902 /nfs/dbraw/zinc/92/59/02/535925902.db2.gz PFGZGNPYQUIPAV-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CCn1cc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350513372 536053814 /nfs/dbraw/zinc/05/38/14/536053814.db2.gz PFJIZCMIKSKGPX-UXHICEINSA-N 2 1 326.488 3.075 20 0 EGADMP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000121395427 546724449 /nfs/dbraw/zinc/72/44/49/546724449.db2.gz RHZUOFMBJQEYAA-YJYMSZOUSA-N 2 1 336.426 3.043 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC000127962834 546775537 /nfs/dbraw/zinc/77/55/37/546775537.db2.gz ZJRZVWYGVKBDLK-UHFFFAOYSA-N 2 1 332.492 3.181 20 0 EGADMP C[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1cccc(OCC[NH+](C)C)c1 ZINC000157066697 546917128 /nfs/dbraw/zinc/91/71/28/546917128.db2.gz HKIWOMINJFUAGS-CQSZACIVSA-N 2 1 348.516 3.000 20 0 EGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000162162652 546963969 /nfs/dbraw/zinc/96/39/69/546963969.db2.gz SSBMHUQZMGARPT-SFHVURJKSA-N 3 1 329.532 3.279 20 0 EGADMP CCC[NH+]1CCC([NH2+]CC2(N3CCSCC3)CCCCC2)CC1 ZINC000163028270 546969729 /nfs/dbraw/zinc/96/97/29/546969729.db2.gz GFCCDTINSWGFHQ-UHFFFAOYSA-N 2 1 339.593 3.202 20 0 EGADMP COc1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)cc1 ZINC000165990013 546988005 /nfs/dbraw/zinc/98/80/05/546988005.db2.gz RYKKWGIZDZWRRB-SBHAEUEKSA-N 2 1 343.515 3.049 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N2CCCC2)cc1 ZINC000165990013 546988009 /nfs/dbraw/zinc/98/80/09/546988009.db2.gz RYKKWGIZDZWRRB-SBHAEUEKSA-N 2 1 343.515 3.049 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)N2CCCC2)cc1 ZINC000165990013 546988012 /nfs/dbraw/zinc/98/80/12/546988012.db2.gz RYKKWGIZDZWRRB-SBHAEUEKSA-N 2 1 343.515 3.049 20 0 EGADMP CCc1nn(C)cc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000180633620 547059351 /nfs/dbraw/zinc/05/93/51/547059351.db2.gz CKUYXARJOXYFOL-KRWDZBQOSA-N 2 1 332.536 3.459 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000248166064 547296612 /nfs/dbraw/zinc/29/66/12/547296612.db2.gz SZTPRZXVLIYSJT-WMLDXEAASA-N 2 1 338.492 3.189 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCSc3c(F)cccc32)CCCO1 ZINC000278436847 547362470 /nfs/dbraw/zinc/36/24/70/547362470.db2.gz HFSSEJRVSUGBOI-PBHICJAKSA-N 2 1 338.492 3.453 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCSc3c(F)cccc32)CCCO1 ZINC000278436847 547362474 /nfs/dbraw/zinc/36/24/74/547362474.db2.gz HFSSEJRVSUGBOI-PBHICJAKSA-N 2 1 338.492 3.453 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310894535 547461326 /nfs/dbraw/zinc/46/13/26/547461326.db2.gz ZXHIZEQIWIZAEJ-IHPCNDPISA-N 2 1 345.531 3.024 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000339250083 547573152 /nfs/dbraw/zinc/57/31/52/547573152.db2.gz VRZZVISGNPJCDL-QUCCMNQESA-N 2 1 343.515 3.204 20 0 EGADMP COC[C@@H]1CCCC[NH+]([C@H](C)CC[N@@H+]2CCCC[C@@H](COC)C2)C1 ZINC000342573000 547595821 /nfs/dbraw/zinc/59/58/21/547595821.db2.gz UBBBDRDTJUMPEO-VAMGGRTRSA-N 2 1 340.552 3.262 20 0 EGADMP COC[C@@H]1CCCC[NH+](CC[C@@H](C)[N@@H+]2CCCC[C@@H](COC)C2)C1 ZINC000342573000 547595828 /nfs/dbraw/zinc/59/58/28/547595828.db2.gz UBBBDRDTJUMPEO-VAMGGRTRSA-N 2 1 340.552 3.262 20 0 EGADMP COC[C@@H]1CCCC[NH+](CC[C@@H](C)[N@H+]2CCCC[C@@H](COC)C2)C1 ZINC000342573000 547595834 /nfs/dbraw/zinc/59/58/34/547595834.db2.gz UBBBDRDTJUMPEO-VAMGGRTRSA-N 2 1 340.552 3.262 20 0 EGADMP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383508326 547821421 /nfs/dbraw/zinc/82/14/21/547821421.db2.gz KQZYVBBTRPMZRS-BBTUJRGHSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000383508326 547821424 /nfs/dbraw/zinc/82/14/24/547821424.db2.gz KQZYVBBTRPMZRS-BBTUJRGHSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC000674245185 548710411 /nfs/dbraw/zinc/71/04/11/548710411.db2.gz BEXMBGQPNOVYRM-INIZCTEOSA-N 2 1 331.504 3.017 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C[C@H](C)O1 ZINC000675784217 548980922 /nfs/dbraw/zinc/98/09/22/548980922.db2.gz WNRFTNKCZYIWIZ-KHYOSLBOSA-N 2 1 336.907 3.286 20 0 EGADMP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678122390 549401983 /nfs/dbraw/zinc/40/19/83/549401983.db2.gz MZRWFJQRWYNJTM-IEBWSBKVSA-N 2 1 332.488 3.161 20 0 EGADMP CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678336934 549471902 /nfs/dbraw/zinc/47/19/02/549471902.db2.gz NTJAQONJYJPJSM-OAQYLSRUSA-N 2 1 346.515 3.408 20 0 EGADMP CCc1nn(C)cc1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000678361214 549476454 /nfs/dbraw/zinc/47/64/54/549476454.db2.gz SPXKSBLYUGXCTI-MJGOQNOKSA-N 2 1 340.515 3.373 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2OCCc3ccccc32)[C@@H](C)C1 ZINC000678585904 549524217 /nfs/dbraw/zinc/52/42/17/549524217.db2.gz PXQMUDIZQRDYMU-YYWHXJBOSA-N 2 1 346.515 3.027 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(OC(C)C)CC2)[C@@H](C)C1 ZINC000678604165 549529678 /nfs/dbraw/zinc/52/96/78/549529678.db2.gz DLPUKIVNBZBQCE-FVELJTHGSA-N 2 1 340.552 3.449 20 0 EGADMP Fc1cc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)ccc1Cl ZINC000678608953 549531545 /nfs/dbraw/zinc/53/15/45/549531545.db2.gz DHMOUJOGYXRYCE-ILXRZTDVSA-N 2 1 337.870 3.274 20 0 EGADMP Fc1ccc2c(c1)OCCC[C@H]2NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000679770325 549774486 /nfs/dbraw/zinc/77/44/86/549774486.db2.gz MOZFPSYGDXOTMC-IEBWSBKVSA-N 2 1 348.462 3.272 20 0 EGADMP C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685442215 550417110 /nfs/dbraw/zinc/41/71/10/550417110.db2.gz HZGWFWPXMHZCPC-IEBWSBKVSA-N 2 1 334.504 3.143 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CN[C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000685455673 550418288 /nfs/dbraw/zinc/41/82/88/550418288.db2.gz HSCKSPWALXPVDV-CIAFKFPVSA-N 2 1 341.543 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000685455673 550418289 /nfs/dbraw/zinc/41/82/89/550418289.db2.gz HSCKSPWALXPVDV-CIAFKFPVSA-N 2 1 341.543 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000685455673 550418290 /nfs/dbraw/zinc/41/82/90/550418290.db2.gz HSCKSPWALXPVDV-CIAFKFPVSA-N 2 1 341.543 3.217 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000685455673 550418292 /nfs/dbraw/zinc/41/82/92/550418292.db2.gz HSCKSPWALXPVDV-CIAFKFPVSA-N 3 1 341.543 3.217 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000685455673 550418293 /nfs/dbraw/zinc/41/82/93/550418293.db2.gz HSCKSPWALXPVDV-CIAFKFPVSA-N 3 1 341.543 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000685455673 550418295 /nfs/dbraw/zinc/41/82/95/550418295.db2.gz HSCKSPWALXPVDV-CIAFKFPVSA-N 3 1 341.543 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000685455673 550418296 /nfs/dbraw/zinc/41/82/96/550418296.db2.gz HSCKSPWALXPVDV-CIAFKFPVSA-N 3 1 341.543 3.217 20 0 EGADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000685849216 550448103 /nfs/dbraw/zinc/44/81/03/550448103.db2.gz OLZYFUAICCSLNI-GOSISDBHSA-N 2 1 334.504 3.407 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000734133125 575445507 /nfs/dbraw/zinc/44/55/07/575445507.db2.gz ASAZMKPIXYTVJI-HXUWFJFHSA-N 2 1 343.515 3.033 20 0 EGADMP CCC[C@@H]1CC(=O)N(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000743354147 576806485 /nfs/dbraw/zinc/80/64/85/576806485.db2.gz MUFDRFDVOOVDHX-LJQANCHMSA-N 2 1 335.536 3.181 20 0 EGADMP CC(C)(C)OC(=O)NCCCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000698111826 1298167602 /nfs/dbraw/zinc/16/76/02/1298167602.db2.gz KUCGIPXODUOVBF-IRXDYDNUSA-N 2 1 339.524 3.288 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccsc3)cc2)CC1 ZINC000061070009 1291959590 /nfs/dbraw/zinc/95/95/90/1291959590.db2.gz KJYWNBOZTUHUAX-UHFFFAOYSA-N 2 1 329.513 3.175 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000069447356 1292242380 /nfs/dbraw/zinc/24/23/80/1292242380.db2.gz NAOPQLRZWBLVTB-IBGZPJMESA-N 2 1 329.488 3.485 20 0 EGADMP COc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)ccc1OC(F)F ZINC000069751824 1292249537 /nfs/dbraw/zinc/24/95/37/1292249537.db2.gz QEXIWHRVJHZPCJ-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)s1 ZINC000069785325 1292252612 /nfs/dbraw/zinc/25/26/12/1292252612.db2.gz FTRVLFRRKQBOOR-UHFFFAOYSA-N 2 1 329.513 3.094 20 0 EGADMP O=C1O[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CN1C1CCCCC1 ZINC000827930280 1292404136 /nfs/dbraw/zinc/40/41/36/1292404136.db2.gz JSQHBZJNGYIUBM-HKUYNNGSSA-N 2 1 349.519 3.090 20 0 EGADMP O=C1O[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CN1C1CCCCC1 ZINC000827930280 1292404141 /nfs/dbraw/zinc/40/41/41/1292404141.db2.gz JSQHBZJNGYIUBM-HKUYNNGSSA-N 2 1 349.519 3.090 20 0 EGADMP CCOc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1OC(F)F ZINC000075780754 1292410774 /nfs/dbraw/zinc/41/07/74/1292410774.db2.gz JOCKCSLRPXIZLK-CYBMUJFWSA-N 2 1 340.414 3.261 20 0 EGADMP CCOc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1OC(F)F ZINC000075780754 1292410779 /nfs/dbraw/zinc/41/07/79/1292410779.db2.gz JOCKCSLRPXIZLK-CYBMUJFWSA-N 2 1 340.414 3.261 20 0 EGADMP CCC(CC)[C@@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)[NH+](C)C ZINC000089137663 1292757238 /nfs/dbraw/zinc/75/72/38/1292757238.db2.gz RICUCNMXKBNMNV-GOSISDBHSA-N 2 1 339.568 3.370 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)cc2OC(F)F)C1 ZINC000114764708 1293176481 /nfs/dbraw/zinc/17/64/81/1293176481.db2.gz YXDMECFSAATPAY-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)cc2OC(F)F)C1 ZINC000114764708 1293176486 /nfs/dbraw/zinc/17/64/86/1293176486.db2.gz YXDMECFSAATPAY-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP COc1ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c(OC)c1OC ZINC000116378908 1293205040 /nfs/dbraw/zinc/20/50/40/1293205040.db2.gz BWOGJPBHISHVMJ-INIZCTEOSA-N 2 1 338.492 3.168 20 0 EGADMP Cc1c(C(=O)Nc2cc(C[NH+](C)C)ccc2C)cnn1-c1cc[nH+]cc1 ZINC000121462113 1293371946 /nfs/dbraw/zinc/37/19/46/1293371946.db2.gz PYKBSXGNNHVVDL-UHFFFAOYSA-N 2 1 349.438 3.198 20 0 EGADMP CC/C=C(/C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124607826 1293480227 /nfs/dbraw/zinc/48/02/27/1293480227.db2.gz BMYBFOAVESHSMS-KFMUGMCPSA-N 2 1 335.536 3.138 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cncs3)cc2)C[C@H](C)O1 ZINC000135846855 1293802455 /nfs/dbraw/zinc/80/24/55/1293802455.db2.gz GUMXRDJCPFVGCC-GASCZTMLSA-N 2 1 331.485 3.042 20 0 EGADMP CC(=O)N1CCC([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCCC2)CC1 ZINC000152354928 1293965080 /nfs/dbraw/zinc/96/50/80/1293965080.db2.gz NLSKZJFLKPPRBO-QGZVFWFLSA-N 2 1 343.515 3.251 20 0 EGADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cn1 ZINC000155381632 1294094823 /nfs/dbraw/zinc/09/48/23/1294094823.db2.gz VGYULZKDGASYNK-HDICACEKSA-N 2 1 339.483 3.289 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000185233650 1295250062 /nfs/dbraw/zinc/25/00/62/1295250062.db2.gz YKIYOPNQSSZTOL-MSOLQXFVSA-N 2 1 326.525 3.058 20 0 EGADMP CC(=O)Oc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185767790 1295285121 /nfs/dbraw/zinc/28/51/21/1295285121.db2.gz DHNSDLFEBGDRQZ-YJBOKZPZSA-N 2 1 330.472 3.355 20 0 EGADMP FC(F)(F)c1ccc2c(NCC[N@@H+]3CCCOCC3)cc[nH+]c2c1 ZINC000188496606 1295464096 /nfs/dbraw/zinc/46/40/96/1295464096.db2.gz JXAJJKISOCVMCR-UHFFFAOYSA-N 2 1 339.361 3.388 20 0 EGADMP FC(F)(F)c1ccc2c(NCC[N@H+]3CCCOCC3)cc[nH+]c2c1 ZINC000188496606 1295464102 /nfs/dbraw/zinc/46/41/02/1295464102.db2.gz JXAJJKISOCVMCR-UHFFFAOYSA-N 2 1 339.361 3.388 20 0 EGADMP CC[NH+](CC)CCC[NH+]1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000189929624 1295552126 /nfs/dbraw/zinc/55/21/26/1295552126.db2.gz GRNOEPSFSXBPSC-INIZCTEOSA-N 2 1 341.540 3.344 20 0 EGADMP C[C@H]1C[C@H](NCC(C)(C)C[NH+](C)Cc2ccccc2)C[N@H+]1C1CC1 ZINC000237566744 1296249707 /nfs/dbraw/zinc/24/97/07/1296249707.db2.gz UUIFRTSUGGDXND-HKUYNNGSSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]1C[C@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000237566744 1296249717 /nfs/dbraw/zinc/24/97/17/1296249717.db2.gz UUIFRTSUGGDXND-HKUYNNGSSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]1C[C@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000237566744 1296249724 /nfs/dbraw/zinc/24/97/24/1296249724.db2.gz UUIFRTSUGGDXND-HKUYNNGSSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CN1C1CC1 ZINC000237566744 1296249735 /nfs/dbraw/zinc/24/97/35/1296249735.db2.gz UUIFRTSUGGDXND-HKUYNNGSSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CN1C1CC1 ZINC000237566744 1296249741 /nfs/dbraw/zinc/24/97/41/1296249741.db2.gz UUIFRTSUGGDXND-HKUYNNGSSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)nc1 ZINC000245584721 1296316652 /nfs/dbraw/zinc/31/66/52/1296316652.db2.gz DAZMZEUSIFWSKV-QLFBSQMISA-N 2 1 325.884 3.275 20 0 EGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000872145231 1296768123 /nfs/dbraw/zinc/76/81/23/1296768123.db2.gz QAPIPQCXFNSDNT-GJZGRUSLSA-N 2 1 332.366 3.017 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccnc(Cl)c1 ZINC000305773649 1297048238 /nfs/dbraw/zinc/04/82/38/1297048238.db2.gz XGKSOKRLIWITMR-IAOVAPTHSA-N 2 1 337.895 3.154 20 0 EGADMP C[N@H+](CC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000309944924 1297079974 /nfs/dbraw/zinc/07/99/74/1297079974.db2.gz CLSNQFQRYPTKFE-JKSUJKDBSA-N 2 1 339.524 3.286 20 0 EGADMP C[N@@H+](CC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000309944924 1297079984 /nfs/dbraw/zinc/07/99/84/1297079984.db2.gz CLSNQFQRYPTKFE-JKSUJKDBSA-N 2 1 339.524 3.286 20 0 EGADMP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000310095178 1297089252 /nfs/dbraw/zinc/08/92/52/1297089252.db2.gz UOUNZMUEQKCEKE-NQIIRXRSSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]([NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000310095178 1297089267 /nfs/dbraw/zinc/08/92/67/1297089267.db2.gz UOUNZMUEQKCEKE-NQIIRXRSSA-N 2 1 329.532 3.219 20 0 EGADMP CC(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000310191954 1297091111 /nfs/dbraw/zinc/09/11/11/1297091111.db2.gz QGEUZGOWLNEUHI-WIYYLYMNSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000310191954 1297091124 /nfs/dbraw/zinc/09/11/24/1297091124.db2.gz QGEUZGOWLNEUHI-WIYYLYMNSA-N 2 1 329.532 3.359 20 0 EGADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000311199335 1297106289 /nfs/dbraw/zinc/10/62/89/1297106289.db2.gz JRUVVWLNRSVPTO-JXFKEZNVSA-N 2 1 346.421 3.110 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)[C@H](n2cncn2)C1 ZINC000340469821 1297313281 /nfs/dbraw/zinc/31/32/81/1297313281.db2.gz MJDBFTWWXJWSCK-BHIYHBOVSA-N 2 1 333.524 3.252 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)[C@@H](n2cncn2)C1 ZINC000340535629 1297315162 /nfs/dbraw/zinc/31/51/62/1297315162.db2.gz VNZRPNJLKAWSDY-LMCOJAPRSA-N 2 1 345.535 3.395 20 0 EGADMP OC[C@H](C1CC1)[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1 ZINC000873209270 1297353436 /nfs/dbraw/zinc/35/34/36/1297353436.db2.gz JEQQLXVIMTVVCZ-LJQANCHMSA-N 2 1 342.508 3.167 20 0 EGADMP FC(F)(F)c1csc(C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)n1 ZINC000873210966 1297355297 /nfs/dbraw/zinc/35/52/97/1297355297.db2.gz FOPNZFMOLZITIN-UHFFFAOYSA-N 2 1 333.404 3.159 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260208 1297395495 /nfs/dbraw/zinc/39/54/95/1297395495.db2.gz VOCIMNQUFLFTNR-RQUKQETFSA-N 3 1 327.516 3.017 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260208 1297395507 /nfs/dbraw/zinc/39/55/07/1297395507.db2.gz VOCIMNQUFLFTNR-RQUKQETFSA-N 2 1 327.516 3.017 20 0 EGADMP C[C@@H](CC[NH2+]C[C@H](O)c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1 ZINC000379616586 1297536723 /nfs/dbraw/zinc/53/67/23/1297536723.db2.gz CPKPLIQMBQKDSY-JXFKEZNVSA-N 2 1 330.447 3.359 20 0 EGADMP C[NH+](C)C1(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCCCC1 ZINC000382310806 1297556117 /nfs/dbraw/zinc/55/61/17/1297556117.db2.gz NUYQTVXCMBNRJN-INIZCTEOSA-N 2 1 339.524 3.240 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400328786 1297729444 /nfs/dbraw/zinc/72/94/44/1297729444.db2.gz CFJCJYQLHMPGTJ-HOTGVXAUSA-N 2 1 341.540 3.342 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000693860822 1298152629 /nfs/dbraw/zinc/15/26/29/1298152629.db2.gz GPSSXXNMHKZLRQ-CVEARBPZSA-N 2 1 339.524 3.238 20 0 EGADMP CC(C)(C)OC(=O)NC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000699595030 1298170796 /nfs/dbraw/zinc/17/07/96/1298170796.db2.gz NFRZQHOCXSBPNZ-HZPDHXFCSA-N 2 1 337.508 3.040 20 0 EGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700805369 1298179622 /nfs/dbraw/zinc/17/96/22/1298179622.db2.gz SHZVTBPWZOIEQO-DLBZAZTESA-N 2 1 341.540 3.105 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1[nH]nc2ccccc21 ZINC000708557548 1298243639 /nfs/dbraw/zinc/24/36/39/1298243639.db2.gz XPBDORMWLGOKDM-WMZOPIPTSA-N 2 1 334.467 3.421 20 0 EGADMP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CC1(C)OCCO1 ZINC000715892934 1298288529 /nfs/dbraw/zinc/28/85/29/1298288529.db2.gz GRWVLOPHSISGKP-KRWDZBQOSA-N 2 1 332.488 3.030 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CN2CC3(CCCC3)CC2=O)CC1 ZINC000747458012 1298786111 /nfs/dbraw/zinc/78/61/11/1298786111.db2.gz ZGNHSEQYBUKEAU-UHFFFAOYSA-N 2 1 335.536 3.181 20 0 EGADMP C[N@@H+](Cc1nc(Cl)ccc1Br)CC1CC[NH+](C)CC1 ZINC000876691096 1298923822 /nfs/dbraw/zinc/92/38/22/1298923822.db2.gz ZYNZYTMQERRHOE-UHFFFAOYSA-N 2 1 346.700 3.271 20 0 EGADMP C[N@H+](Cc1nc(Cl)ccc1Br)CC1CC[NH+](C)CC1 ZINC000876691096 1298923833 /nfs/dbraw/zinc/92/38/33/1298923833.db2.gz ZYNZYTMQERRHOE-UHFFFAOYSA-N 2 1 346.700 3.271 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]34CCC[C@H]3[NH2+]CC4)cc2)C1 ZINC000876719713 1298937466 /nfs/dbraw/zinc/93/74/66/1298937466.db2.gz SSRKHOCSLVKTNH-BSIFCXSSSA-N 2 1 341.499 3.389 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccnc3Br)C2)CC1 ZINC000877528815 1299371478 /nfs/dbraw/zinc/37/14/78/1299371478.db2.gz LIRDBIUZCSIALL-CQSZACIVSA-N 2 1 338.293 3.008 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C ZINC000877608506 1299428143 /nfs/dbraw/zinc/42/81/43/1299428143.db2.gz WOBNCNGREDOXKD-UHFFFAOYSA-N 2 1 332.488 3.080 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(C)cc1 ZINC000751012516 1299497186 /nfs/dbraw/zinc/49/71/86/1299497186.db2.gz VNDBNLPDPDWJSJ-SFHVURJKSA-N 2 1 348.560 3.040 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(OCc4ccccn4)c3)CC[C@@H]21 ZINC000877744406 1299521285 /nfs/dbraw/zinc/52/12/85/1299521285.db2.gz SMGZDJAPHKYOSD-RXVVDRJESA-N 2 1 337.467 3.187 20 0 EGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(OCc4ccccn4)c3)CC[C@@H]21 ZINC000877744406 1299521289 /nfs/dbraw/zinc/52/12/89/1299521289.db2.gz SMGZDJAPHKYOSD-RXVVDRJESA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(OCc4ccccn4)c3)CC[C@@H]21 ZINC000877744406 1299521299 /nfs/dbraw/zinc/52/12/99/1299521299.db2.gz SMGZDJAPHKYOSD-RXVVDRJESA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(OCc4ccccn4)c3)CC[C@@H]21 ZINC000877744406 1299521305 /nfs/dbraw/zinc/52/13/05/1299521305.db2.gz SMGZDJAPHKYOSD-RXVVDRJESA-N 2 1 337.467 3.187 20 0 EGADMP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000878126186 1299763614 /nfs/dbraw/zinc/76/36/14/1299763614.db2.gz UKUOWFIBVVSTET-HKUYNNGSSA-N 2 1 331.504 3.010 20 0 EGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000878172076 1299794202 /nfs/dbraw/zinc/79/42/02/1299794202.db2.gz ACWWOYMOEODQAL-GOSISDBHSA-N 2 1 340.471 3.339 20 0 EGADMP FC[C@@H]1CCC[N@@H+](Cc2cncc(C[NH+]3CCC[C@H](CF)C3)c2)C1 ZINC000880238080 1300998817 /nfs/dbraw/zinc/99/88/17/1300998817.db2.gz NVNCKMVXJRVUBU-CALCHBBNSA-N 2 1 337.458 3.445 20 0 EGADMP FC[C@@H]1CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@H](CF)C3)c2)C1 ZINC000880238080 1300998829 /nfs/dbraw/zinc/99/88/29/1300998829.db2.gz NVNCKMVXJRVUBU-CALCHBBNSA-N 2 1 337.458 3.445 20 0 EGADMP FC[C@@H]1CCC[NH+](Cc2cncc(C[N@H+]3CCC[C@H](CF)C3)c2)C1 ZINC000880238080 1300998836 /nfs/dbraw/zinc/99/88/36/1300998836.db2.gz NVNCKMVXJRVUBU-CALCHBBNSA-N 2 1 337.458 3.445 20 0 EGADMP C[C@H](NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160936 1301227978 /nfs/dbraw/zinc/22/79/78/1301227978.db2.gz UIXVOOZWOAYZSE-DRZSPHRISA-N 2 1 344.286 3.089 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160936 1301227984 /nfs/dbraw/zinc/22/79/84/1301227984.db2.gz UIXVOOZWOAYZSE-DRZSPHRISA-N 2 1 344.286 3.089 20 0 EGADMP C[C@H](NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160937 1301228451 /nfs/dbraw/zinc/22/84/51/1301228451.db2.gz UIXVOOZWOAYZSE-UHTWSYAYSA-N 2 1 344.286 3.089 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160937 1301228456 /nfs/dbraw/zinc/22/84/56/1301228456.db2.gz UIXVOOZWOAYZSE-UHTWSYAYSA-N 2 1 344.286 3.089 20 0 EGADMP C[C@H]([NH2+]Cc1ccc2oc(=O)oc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000883084866 1302240767 /nfs/dbraw/zinc/24/07/67/1302240767.db2.gz CZJFTLUKPOMNQH-DZGCQCFKSA-N 2 1 330.428 3.129 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2N(C)CC)[C@@H](C)C1 ZINC000765851103 1302340039 /nfs/dbraw/zinc/34/00/39/1302340039.db2.gz YEYURVYJGKDVDQ-AZUAARDMSA-N 2 1 347.547 3.369 20 0 EGADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCC2 ZINC000765972589 1302358731 /nfs/dbraw/zinc/35/87/31/1302358731.db2.gz BETWCLYGDKLJKM-TZIWHRDSSA-N 2 1 344.499 3.306 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc2c(c1)CCC2 ZINC000765973735 1302359777 /nfs/dbraw/zinc/35/97/77/1302359777.db2.gz FAAVMUYEAMGLJO-IERDGZPVSA-N 2 1 328.500 3.469 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000767453170 1302682440 /nfs/dbraw/zinc/68/24/40/1302682440.db2.gz LBGUHFYFPOHIFY-MRXNPFEDSA-N 2 1 341.377 3.266 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000767453170 1302682447 /nfs/dbraw/zinc/68/24/47/1302682447.db2.gz LBGUHFYFPOHIFY-MRXNPFEDSA-N 2 1 341.377 3.266 20 0 EGADMP CC[C@@H]1CC(=O)N(C[NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)C1 ZINC000770688419 1303306232 /nfs/dbraw/zinc/30/62/32/1303306232.db2.gz YUQPXUDDCAHILN-QGZVFWFLSA-N 2 1 335.536 3.036 20 0 EGADMP CCC[C@H]1CC(=O)N(C[NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)C1 ZINC000770686123 1303306601 /nfs/dbraw/zinc/30/66/01/1303306601.db2.gz SINKOMAZMZGXBF-FQEVSTJZSA-N 2 1 349.563 3.427 20 0 EGADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCOC3(CCOCC3)C2)C1 ZINC000885978267 1303306730 /nfs/dbraw/zinc/30/67/30/1303306730.db2.gz URHLUYZETVZKBI-ROUUACIJSA-N 2 1 338.536 3.205 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCOC3(CCOCC3)C2)C1 ZINC000885978267 1303306734 /nfs/dbraw/zinc/30/67/34/1303306734.db2.gz URHLUYZETVZKBI-ROUUACIJSA-N 2 1 338.536 3.205 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC000886545648 1303494792 /nfs/dbraw/zinc/49/47/92/1303494792.db2.gz PLMMQVSIAPYZET-DYESRHJHSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000775374902 1303949024 /nfs/dbraw/zinc/94/90/24/1303949024.db2.gz HOZMTKQJLVJWKS-NCOADZHNSA-N 2 1 328.591 3.468 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H](O)c1c(F)cccc1Cl ZINC000775411688 1303960429 /nfs/dbraw/zinc/96/04/29/1303960429.db2.gz HBYXSELEDXAUQB-SGTLLEGYSA-N 2 1 340.870 3.365 20 0 EGADMP CC(C)COC(=O)N1CCC([NH2+]CC2([NH+](C)C)CCCCC2)CC1 ZINC000776688009 1304183508 /nfs/dbraw/zinc/18/35/08/1304183508.db2.gz YXWKZCQFTWPKTH-UHFFFAOYSA-N 2 1 339.524 3.098 20 0 EGADMP C[C@@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CC[N@H+]1C ZINC000777675980 1304333514 /nfs/dbraw/zinc/33/35/14/1304333514.db2.gz RIWRTEOZBXQORA-NVXWUHKLSA-N 2 1 348.510 3.251 20 0 EGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000779004767 1304517519 /nfs/dbraw/zinc/51/75/19/1304517519.db2.gz ZAAFTASIBMLULR-HZPDHXFCSA-N 2 1 339.524 3.096 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000781198696 1304788617 /nfs/dbraw/zinc/78/86/17/1304788617.db2.gz DHRRGQWGBNRIMB-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781198696 1304788624 /nfs/dbraw/zinc/78/86/24/1304788624.db2.gz DHRRGQWGBNRIMB-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781198696 1304788630 /nfs/dbraw/zinc/78/86/30/1304788630.db2.gz DHRRGQWGBNRIMB-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCOC4CCC4)[C@H]3C2)cc1 ZINC000781420793 1304825505 /nfs/dbraw/zinc/82/55/05/1304825505.db2.gz FFGLESAUTFIVRE-SESVDKBCSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccnc(Cl)c1 ZINC000781922398 1304892539 /nfs/dbraw/zinc/89/25/39/1304892539.db2.gz HIIWHDQAZXSFMI-KDOFPFPSSA-N 2 1 345.874 3.152 20 0 EGADMP COc1cccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C)CC2)c1 ZINC000891813422 1305176197 /nfs/dbraw/zinc/17/61/97/1305176197.db2.gz AUIMFMHHFBOAKG-HXUWFJFHSA-N 2 1 332.488 3.018 20 0 EGADMP CCn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(C)n1 ZINC000893021649 1305662358 /nfs/dbraw/zinc/66/23/58/1305662358.db2.gz VVJGPKWRMKCANE-CRAIPNDOSA-N 2 1 332.517 3.446 20 0 EGADMP CCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C)n1 ZINC000893021649 1305662369 /nfs/dbraw/zinc/66/23/69/1305662369.db2.gz VVJGPKWRMKCANE-CRAIPNDOSA-N 2 1 332.517 3.446 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(C)cc(C)c2)[C@H](C)C1 ZINC000787302648 1305729574 /nfs/dbraw/zinc/72/95/74/1305729574.db2.gz JPAAHOHJCNTEIR-HLAWJBBLSA-N 2 1 348.531 3.063 20 0 EGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OCc4ccccc4F)cc3)C[C@@H]2C1 ZINC000787302180 1305729668 /nfs/dbraw/zinc/72/96/68/1305729668.db2.gz CJPXTWZXPROOER-KDURUIRLSA-N 2 1 340.442 3.398 20 0 EGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OCc4ccccc4F)cc3)C[C@@H]2C1 ZINC000787302180 1305729679 /nfs/dbraw/zinc/72/96/79/1305729679.db2.gz CJPXTWZXPROOER-KDURUIRLSA-N 2 1 340.442 3.398 20 0 EGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccc4F)cc3)C[C@@H]2C1 ZINC000787302180 1305729684 /nfs/dbraw/zinc/72/96/84/1305729684.db2.gz CJPXTWZXPROOER-KDURUIRLSA-N 2 1 340.442 3.398 20 0 EGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OCc4ccccc4F)cc3)C[C@@H]2C1 ZINC000787302180 1305729692 /nfs/dbraw/zinc/72/96/92/1305729692.db2.gz CJPXTWZXPROOER-KDURUIRLSA-N 2 1 340.442 3.398 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+]CC2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000893226996 1305772202 /nfs/dbraw/zinc/77/22/02/1305772202.db2.gz VOMRONUMFCCSSW-NQIIRXRSSA-N 3 1 329.532 3.219 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000893488114 1305920967 /nfs/dbraw/zinc/92/09/67/1305920967.db2.gz RKBCVJDAGITBPX-TZIWHRDSSA-N 2 1 336.479 3.073 20 0 EGADMP COc1ccccc1C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000788474872 1305951234 /nfs/dbraw/zinc/95/12/34/1305951234.db2.gz KTCQSEOIEJQHMT-IBGZPJMESA-N 2 1 332.488 3.018 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788575945 1305974361 /nfs/dbraw/zinc/97/43/61/1305974361.db2.gz DVEWELARHZCZPU-SBJFKYEJSA-N 2 1 340.920 3.346 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788575945 1305974369 /nfs/dbraw/zinc/97/43/69/1305974369.db2.gz DVEWELARHZCZPU-SBJFKYEJSA-N 2 1 340.920 3.346 20 0 EGADMP Cc1cc(N2CCC([NH2+]C[C@@H]3CCc4ccccc43)CC2)nc(C)[nH+]1 ZINC000790054418 1306255113 /nfs/dbraw/zinc/25/51/13/1306255113.db2.gz JMBJCQZBYKGAET-SFHVURJKSA-N 2 1 336.483 3.382 20 0 EGADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000894331616 1306346172 /nfs/dbraw/zinc/34/61/72/1306346172.db2.gz HZXDCWWNPJAWJQ-RTWAWAEBSA-N 2 1 339.483 3.092 20 0 EGADMP Cc1ncoc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000894445126 1308891241 /nfs/dbraw/zinc/89/12/41/1308891241.db2.gz NCAOJKZBIKTNSN-GBESFXJTSA-N 2 1 325.456 3.373 20 0 EGADMP Cc1ncoc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000894445126 1308891255 /nfs/dbraw/zinc/89/12/55/1308891255.db2.gz NCAOJKZBIKTNSN-GBESFXJTSA-N 2 1 325.456 3.373 20 0 EGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H](F)CC2CCCCC2)CC1 ZINC000793161643 1309307940 /nfs/dbraw/zinc/30/79/40/1309307940.db2.gz GMCDQMSHMLYLDY-INIZCTEOSA-N 2 1 348.466 3.080 20 0 EGADMP C[C@H](OC(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793192803 1309315577 /nfs/dbraw/zinc/31/55/77/1309315577.db2.gz TURWDHVGLYIOJJ-WMZOPIPTSA-N 2 1 349.434 3.402 20 0 EGADMP CCC(CC)[C@H](C[NH2+]C1CCN(C(=O)OCC(C)C)CC1)[NH+](C)C ZINC000796694876 1310066646 /nfs/dbraw/zinc/06/66/46/1310066646.db2.gz LEIVLHKSZGBZFU-SFHVURJKSA-N 2 1 341.540 3.199 20 0 EGADMP OCC[N@H+]1CCC[C@H]2[C@@H]1CCN2c1ccnc2cc(F)c(Cl)cc21 ZINC000897218715 1310225940 /nfs/dbraw/zinc/22/59/40/1310225940.db2.gz FVSNVAKOMPXENI-ROUUACIJSA-N 2 1 349.837 3.063 20 0 EGADMP CC(C)(C)[C@@]1(C[NH2+][C@H]2C[C@H](CO)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000897355203 1310304963 /nfs/dbraw/zinc/30/49/63/1310304963.db2.gz IOFOBUPFUMJYQL-SFHLNBCPSA-N 2 1 330.516 3.285 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC2(C)OCCO2)CC1 ZINC000798182558 1310314031 /nfs/dbraw/zinc/31/40/31/1310314031.db2.gz HFFQLBBATDNAQZ-UHFFFAOYSA-N 2 1 332.488 3.172 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000798956656 1310464025 /nfs/dbraw/zinc/46/40/25/1310464025.db2.gz IOGXENDSVGWWSM-UHFFFAOYSA-N 2 1 339.524 3.098 20 0 EGADMP COc1cc2c(c(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)c1)O[C@@H](C)C2 ZINC000798956905 1310464077 /nfs/dbraw/zinc/46/40/77/1310464077.db2.gz HHJKFXIGCCBVTM-INIZCTEOSA-N 2 1 344.499 3.326 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000799014253 1310469522 /nfs/dbraw/zinc/46/95/22/1310469522.db2.gz FGXAAXNIKLNBGR-UWJYYQICSA-N 2 1 345.531 3.182 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](CCC(=O)Nc3ccc(Cl)cc3)C2)CC1 ZINC000799178098 1310499793 /nfs/dbraw/zinc/49/97/93/1310499793.db2.gz KMVWZFPNUDIEPL-UHFFFAOYSA-N 2 1 349.906 3.476 20 0 EGADMP CC[NH+](CC)CCOc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000898703199 1310826657 /nfs/dbraw/zinc/82/66/57/1310826657.db2.gz HBAAHEBYVJPZDH-YQQQUEKLSA-N 2 1 331.504 3.444 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000839183093 1320889024 /nfs/dbraw/zinc/88/90/24/1320889024.db2.gz SXEJUSDEDFJKGR-XHSDSOJGSA-N 2 1 346.462 3.065 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)C1 ZINC000857282813 1328526319 /nfs/dbraw/zinc/52/63/19/1328526319.db2.gz IHSALDWGAAUEQA-WOJBJXKFSA-N 2 1 343.515 3.051 20 0 EGADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857282813 1328526320 /nfs/dbraw/zinc/52/63/20/1328526320.db2.gz IHSALDWGAAUEQA-WOJBJXKFSA-N 2 1 343.515 3.051 20 0 EGADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857282813 1328526321 /nfs/dbraw/zinc/52/63/21/1328526321.db2.gz IHSALDWGAAUEQA-WOJBJXKFSA-N 2 1 343.515 3.051 20 0 EGADMP C[NH+]1CCC2(CCCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)CC1 ZINC000857501768 1328542657 /nfs/dbraw/zinc/54/26/57/1328542657.db2.gz VFEKWZYASOVUMQ-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001018990355 1316996169 /nfs/dbraw/zinc/99/61/69/1316996169.db2.gz HVYGEQQDBUSBFD-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001019241592 1317119548 /nfs/dbraw/zinc/11/95/48/1317119548.db2.gz MAJNVRZQERVKPO-FFZOFVMBSA-N 2 1 343.515 3.156 20 0 EGADMP CC(C)[NH+](Cc1cn(CC[N@@H+](C)Cc2cccc(F)c2)nn1)C(C)C ZINC000899705893 1317136717 /nfs/dbraw/zinc/13/67/17/1317136717.db2.gz KOGVTSHVBBJIDU-UHFFFAOYSA-N 2 1 347.482 3.168 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001019274618 1317141041 /nfs/dbraw/zinc/14/10/41/1317141041.db2.gz IHXRDDFEOVHUMU-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001019452379 1317250704 /nfs/dbraw/zinc/25/07/04/1317250704.db2.gz FZAYMKGOTZQRRT-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CCc1ncc(C[N@@H+](CC)CC2CCN(c3ccccn3)CC2)o1 ZINC000929755660 1328688435 /nfs/dbraw/zinc/68/84/35/1328688435.db2.gz VYLMCWUATBJQBG-UHFFFAOYSA-N 2 1 328.460 3.371 20 0 EGADMP CC[NH+]1CCC2(CCN(C(=O)CCn3cc[nH+]c3C(C)C)CC2)CC1 ZINC000957617165 1317499247 /nfs/dbraw/zinc/49/92/47/1317499247.db2.gz AJWYQACQHVBEBT-UHFFFAOYSA-N 2 1 346.519 3.121 20 0 EGADMP CNc1ccccc1C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000902231016 1317549045 /nfs/dbraw/zinc/54/90/45/1317549045.db2.gz PTFUPAHNGFFPER-UHFFFAOYSA-N 2 1 342.487 3.335 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001020144082 1317559422 /nfs/dbraw/zinc/55/94/22/1317559422.db2.gz PUYJDZGAIZMPFA-LEAZDLGRSA-N 2 1 343.515 3.166 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001020214430 1317596296 /nfs/dbraw/zinc/59/62/96/1317596296.db2.gz STMINAKGVXDRIW-LEAZDLGRSA-N 2 1 343.515 3.167 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020213980 1317596449 /nfs/dbraw/zinc/59/64/49/1317596449.db2.gz CHWZVLPXVHSVLZ-GUDVDZBRSA-N 2 1 335.536 3.068 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001020289265 1317628162 /nfs/dbraw/zinc/62/81/62/1317628162.db2.gz WHQPUYDHQBUYCI-LWYYNNOASA-N 2 1 345.531 3.131 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@](C)(CC)CC1=O ZINC000808154418 1317632902 /nfs/dbraw/zinc/63/29/02/1317632902.db2.gz ROHBFNPVGOHNHF-HXUWFJFHSA-N 2 1 331.504 3.176 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@](C)(CC)CC1=O ZINC000808154418 1317632906 /nfs/dbraw/zinc/63/29/06/1317632906.db2.gz ROHBFNPVGOHNHF-HXUWFJFHSA-N 2 1 331.504 3.176 20 0 EGADMP CC(C)c1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cc1 ZINC001020301319 1317635752 /nfs/dbraw/zinc/63/57/52/1317635752.db2.gz XNKIRCMITLDUKY-UFYCRDLUSA-N 2 1 343.515 3.031 20 0 EGADMP CC[N@@H+](CC1CC1)CC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000957773040 1317637373 /nfs/dbraw/zinc/63/73/73/1317637373.db2.gz WCMMNIZGVBHDQM-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000957779778 1317643764 /nfs/dbraw/zinc/64/37/64/1317643764.db2.gz YNZXAPONZMJKQR-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP c1ccc2c(c1)CCN2CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903062709 1317645380 /nfs/dbraw/zinc/64/53/80/1317645380.db2.gz WEWSXUGAARYAAM-CTXDPNEZSA-N 2 1 325.500 3.187 20 0 EGADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903084295 1317649241 /nfs/dbraw/zinc/64/92/41/1317649241.db2.gz WVVSOVGYKXZWKH-DJXYKJKZSA-N 2 1 342.483 3.484 20 0 EGADMP c1ccc(N2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903098927 1317652963 /nfs/dbraw/zinc/65/29/63/1317652963.db2.gz VSMDGNWLHSVGOQ-FYHVPLJZSA-N 2 1 325.500 3.403 20 0 EGADMP CC[C@H]([NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O)c1ccc(F)cc1 ZINC000903116275 1317655914 /nfs/dbraw/zinc/65/59/14/1317655914.db2.gz GBPJMZKZYAYGGK-MDMHHNQBSA-N 2 1 334.479 3.346 20 0 EGADMP Cc1ccccc1C1CC([NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)C1 ZINC000903115161 1317656163 /nfs/dbraw/zinc/65/61/63/1317656163.db2.gz MAYQCQGMYQBFGL-NDYNZKDJSA-N 2 1 342.527 3.310 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000903115992 1317656466 /nfs/dbraw/zinc/65/64/66/1317656466.db2.gz FETSFUADVGHSEC-YNWKUBOOSA-N 2 1 330.516 3.434 20 0 EGADMP C[C@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(Cl)c1 ZINC000903153227 1317663695 /nfs/dbraw/zinc/66/36/95/1317663695.db2.gz RBEVHTOJRJKWNG-DQXYTYHJSA-N 2 1 334.891 3.295 20 0 EGADMP FC(F)(F)CN1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903153822 1317664398 /nfs/dbraw/zinc/66/43/98/1317664398.db2.gz OFPYCNCGKHRJRV-ZXFUBFMLSA-N 2 1 345.453 3.008 20 0 EGADMP CCN1CCC[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000903389454 1317694863 /nfs/dbraw/zinc/69/48/63/1317694863.db2.gz VMZOAEMBSADLSG-SOAGJPPSSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903506723 1317706379 /nfs/dbraw/zinc/70/63/79/1317706379.db2.gz XPBWJXNXXYPSJU-ZOCIIQOWSA-N 2 1 333.907 3.302 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903506722 1317706853 /nfs/dbraw/zinc/70/68/53/1317706853.db2.gz XPBWJXNXXYPSJU-ZMYBRWDISA-N 2 1 333.907 3.302 20 0 EGADMP c1c2c(oc1-c1ccccc1)C[N@@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903734672 1317726891 /nfs/dbraw/zinc/72/68/91/1317726891.db2.gz UUQBDCFGUHSIBP-GHTZIAJQSA-N 2 1 338.451 3.073 20 0 EGADMP CC[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC[C@H]1c1ccccc1 ZINC000903734951 1317727060 /nfs/dbraw/zinc/72/70/60/1317727060.db2.gz XVMLWJYZSLVEIM-GFOJFJKKSA-N 2 1 328.500 3.271 20 0 EGADMP CC(C)c1csc([C@@H]2CCC[N@@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903739681 1317728300 /nfs/dbraw/zinc/72/83/00/1317728300.db2.gz NXXUTDDKRAIXRF-GJYPPUQNSA-N 2 1 349.544 3.215 20 0 EGADMP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](C[C@@H]4CCCC[NH2+]C4)C3)nc2c1 ZINC000903751704 1317729930 /nfs/dbraw/zinc/72/99/30/1317729930.db2.gz IHJGCGVETAOSJQ-IAGOWNOFSA-N 2 1 326.488 3.440 20 0 EGADMP Cc1ccc2nc([C@@H]3CCC[N@H+](C[C@@H]4CCCC[NH2+]C4)C3)[nH]c2c1 ZINC000903751704 1317729935 /nfs/dbraw/zinc/72/99/35/1317729935.db2.gz IHJGCGVETAOSJQ-IAGOWNOFSA-N 2 1 326.488 3.440 20 0 EGADMP Cc1ccc2nc([C@@H]3CCC[N@@H+](C[C@@H]4CCCC[NH2+]C4)C3)[nH]c2c1 ZINC000903751704 1317729941 /nfs/dbraw/zinc/72/99/41/1317729941.db2.gz IHJGCGVETAOSJQ-IAGOWNOFSA-N 2 1 326.488 3.440 20 0 EGADMP CC1(C)[C@H](c2ccccc2F)CC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903778185 1317731913 /nfs/dbraw/zinc/73/19/13/1317731913.db2.gz KEXMDDHYZBSPLS-RIFZZMRRSA-N 2 1 332.463 3.162 20 0 EGADMP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2cn3cc(Cl)ccc3n2)CCC1 ZINC000903814113 1317736501 /nfs/dbraw/zinc/73/65/01/1317736501.db2.gz KEDLWLOWORGQIK-INIZCTEOSA-N 2 1 332.879 3.471 20 0 EGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2cn3cc(Cl)ccc3n2)CCC1 ZINC000903814113 1317736508 /nfs/dbraw/zinc/73/65/08/1317736508.db2.gz KEDLWLOWORGQIK-INIZCTEOSA-N 2 1 332.879 3.471 20 0 EGADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000903885411 1317741644 /nfs/dbraw/zinc/74/16/44/1317741644.db2.gz HGDSXKGFNXZWMR-AZUAARDMSA-N 2 1 339.487 3.320 20 0 EGADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903913075 1317747783 /nfs/dbraw/zinc/74/77/83/1317747783.db2.gz LEOOYMZUYYYOQQ-QAJUQPOASA-N 2 1 328.500 3.094 20 0 EGADMP CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903923195 1317749944 /nfs/dbraw/zinc/74/99/44/1317749944.db2.gz NQGIRFYRSDLWEK-GFCCVEGCSA-N 2 1 335.236 3.342 20 0 EGADMP C[N@H+]1CCCC[C@H](CNCc2cc(Br)cnc2Cl)C1 ZINC000858244996 1328721384 /nfs/dbraw/zinc/72/13/84/1328721384.db2.gz AGAZKYWCOHZHAV-LLVKDONJSA-N 2 1 346.700 3.319 20 0 EGADMP C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904312584 1317828462 /nfs/dbraw/zinc/82/84/62/1317828462.db2.gz KMHWXQZFPLQAKU-FQEVSTJZSA-N 2 1 344.478 3.470 20 0 EGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904326400 1317831900 /nfs/dbraw/zinc/83/19/00/1317831900.db2.gz ITGODPMGKAJRHA-RTWAWAEBSA-N 2 1 329.532 3.220 20 0 EGADMP COc1ccc([C@@H](C[NH2+]C[C@@]2(C)CCC[NH2+]C2)N2CCCCC2)cc1 ZINC000904364926 1317837978 /nfs/dbraw/zinc/83/79/78/1317837978.db2.gz UHDNZRKUIXFYLO-RTWAWAEBSA-N 2 1 345.531 3.202 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000904405344 1317843018 /nfs/dbraw/zinc/84/30/18/1317843018.db2.gz LAMXPRFHERDJCG-GOSISDBHSA-N 2 1 339.483 3.448 20 0 EGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000904406438 1317843122 /nfs/dbraw/zinc/84/31/22/1317843122.db2.gz VDYOSHGQPOMKIO-QGZVFWFLSA-N 2 1 347.466 3.105 20 0 EGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406184 1317844119 /nfs/dbraw/zinc/84/41/19/1317844119.db2.gz TWAKUNQUZSVDHY-GOSISDBHSA-N 2 1 340.515 3.400 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809764733 1317893531 /nfs/dbraw/zinc/89/35/31/1317893531.db2.gz HLTWGRPRCYHJAW-HOTGVXAUSA-N 2 1 341.540 3.294 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809764733 1317893542 /nfs/dbraw/zinc/89/35/42/1317893542.db2.gz HLTWGRPRCYHJAW-HOTGVXAUSA-N 2 1 341.540 3.294 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809764733 1317893553 /nfs/dbraw/zinc/89/35/53/1317893553.db2.gz HLTWGRPRCYHJAW-HOTGVXAUSA-N 2 1 341.540 3.294 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809764733 1317893556 /nfs/dbraw/zinc/89/35/56/1317893556.db2.gz HLTWGRPRCYHJAW-HOTGVXAUSA-N 2 1 341.540 3.294 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001021049589 1318060412 /nfs/dbraw/zinc/06/04/12/1318060412.db2.gz QQBPTJGRGVVWAS-KNTRFNDTSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCCCC2)CC[N@H+]1C ZINC001021263303 1318162263 /nfs/dbraw/zinc/16/22/63/1318162263.db2.gz NPJNDHCBDDLSKD-MNIJEXPFSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCCCC2)CC[NH+]1C ZINC001021263303 1318162271 /nfs/dbraw/zinc/16/22/71/1318162271.db2.gz NPJNDHCBDDLSKD-MNIJEXPFSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCCC2)CC[NH+]1C ZINC001021263303 1318162276 /nfs/dbraw/zinc/16/22/76/1318162276.db2.gz NPJNDHCBDDLSKD-MNIJEXPFSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCCC2CCC2)CC[N@H+]1C ZINC001021263335 1318162708 /nfs/dbraw/zinc/16/27/08/1318162708.db2.gz PPPGIMCAYIINKG-MNIJEXPFSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC2CCC2)CC[NH+]1C ZINC001021263335 1318162718 /nfs/dbraw/zinc/16/27/18/1318162718.db2.gz PPPGIMCAYIINKG-MNIJEXPFSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC2CCC2)CC[NH+]1C ZINC001021263335 1318162727 /nfs/dbraw/zinc/16/27/27/1318162727.db2.gz PPPGIMCAYIINKG-MNIJEXPFSA-N 2 1 347.547 3.019 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001021274199 1318167950 /nfs/dbraw/zinc/16/79/50/1318167950.db2.gz MEVLPEKVINVYSC-XVLXNVKGSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001021274199 1318167959 /nfs/dbraw/zinc/16/79/59/1318167959.db2.gz MEVLPEKVINVYSC-XVLXNVKGSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001021274199 1318167968 /nfs/dbraw/zinc/16/79/68/1318167968.db2.gz MEVLPEKVINVYSC-XVLXNVKGSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001021274455 1318168072 /nfs/dbraw/zinc/16/80/72/1318168072.db2.gz ZLWZBULMOSAKCW-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001021274455 1318168083 /nfs/dbraw/zinc/16/80/83/1318168083.db2.gz ZLWZBULMOSAKCW-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001021274455 1318168089 /nfs/dbraw/zinc/16/80/89/1318168089.db2.gz ZLWZBULMOSAKCW-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001021302020 1318178362 /nfs/dbraw/zinc/17/83/62/1318178362.db2.gz GEAMRKVXQKIISO-HQSKLWIPSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001021302020 1318178367 /nfs/dbraw/zinc/17/83/67/1318178367.db2.gz GEAMRKVXQKIISO-HQSKLWIPSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001021302020 1318178373 /nfs/dbraw/zinc/17/83/73/1318178373.db2.gz GEAMRKVXQKIISO-HQSKLWIPSA-N 2 1 335.536 3.019 20 0 EGADMP Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)cs1 ZINC000960098631 1318353639 /nfs/dbraw/zinc/35/36/39/1318353639.db2.gz XCIWOJQOBKTTCK-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP C[C@H]1C[C@@H](CCNc2cc[nH+]c(CO)c2)C[N@H+]1Cc1ccccc1 ZINC000858457917 1328767900 /nfs/dbraw/zinc/76/79/00/1328767900.db2.gz VZLAZWODUATTOB-FUHWJXTLSA-N 2 1 325.456 3.287 20 0 EGADMP C[N@H+]1CC[C@H](CNc2cc[nH+]c(CO)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000858461375 1328768704 /nfs/dbraw/zinc/76/87/04/1328768704.db2.gz SDBCFKGMBSCOCJ-ACJLOTCBSA-N 2 1 349.837 3.471 20 0 EGADMP C[NH+](C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C)CC1CCC(C)(C)CC1 ZINC000960485717 1318597645 /nfs/dbraw/zinc/59/76/45/1318597645.db2.gz FGCNDPXLRUPKNZ-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C)CC1CCC(C)(C)CC1 ZINC000960485717 1318597651 /nfs/dbraw/zinc/59/76/51/1318597651.db2.gz FGCNDPXLRUPKNZ-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000858490759 1328777038 /nfs/dbraw/zinc/77/70/38/1328777038.db2.gz NMOMSJKDAJWZLL-HOTGVXAUSA-N 2 1 331.460 3.026 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739198 1318649017 /nfs/dbraw/zinc/64/90/17/1318649017.db2.gz HJXVOLRJDVRZPB-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001021906253 1318727058 /nfs/dbraw/zinc/72/70/58/1318727058.db2.gz JIPDDNVXYCAXOF-XMTFNYHQSA-N 2 1 349.906 3.122 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccsc1 ZINC000960666475 1318783863 /nfs/dbraw/zinc/78/38/63/1318783863.db2.gz RJESQBFNTQJNJZ-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccsc1 ZINC000960666475 1318783869 /nfs/dbraw/zinc/78/38/69/1318783869.db2.gz RJESQBFNTQJNJZ-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccsc1 ZINC000960666475 1318783878 /nfs/dbraw/zinc/78/38/78/1318783878.db2.gz RJESQBFNTQJNJZ-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC000960669268 1318785067 /nfs/dbraw/zinc/78/50/67/1318785067.db2.gz VARNOGLGASYLQU-XLIONFOSSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC000960669268 1318785075 /nfs/dbraw/zinc/78/50/75/1318785075.db2.gz VARNOGLGASYLQU-XLIONFOSSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000960669268 1318785082 /nfs/dbraw/zinc/78/50/82/1318785082.db2.gz VARNOGLGASYLQU-XLIONFOSSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH]cn1 ZINC000960671438 1318786656 /nfs/dbraw/zinc/78/66/56/1318786656.db2.gz LAQAKNIBKMQADX-LPHOPBHVSA-N 2 1 340.471 3.026 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1cnc[nH]1 ZINC000960671438 1318786661 /nfs/dbraw/zinc/78/66/61/1318786661.db2.gz LAQAKNIBKMQADX-LPHOPBHVSA-N 2 1 340.471 3.026 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1cnc[nH]1 ZINC000960671438 1318786667 /nfs/dbraw/zinc/78/66/67/1318786667.db2.gz LAQAKNIBKMQADX-LPHOPBHVSA-N 2 1 340.471 3.026 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1)c1ccccc1 ZINC001022069656 1318786951 /nfs/dbraw/zinc/78/69/51/1318786951.db2.gz NJKUSQWBXUAARB-IYWMVGAKSA-N 2 1 343.515 3.247 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022070278 1318788267 /nfs/dbraw/zinc/78/82/67/1318788267.db2.gz UMMOVNAWDRHVPN-OTWHNJEPSA-N 2 1 335.536 3.066 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000814657837 1318794852 /nfs/dbraw/zinc/79/48/52/1318794852.db2.gz SXHFEQZIQPRATP-WBVHZDCISA-N 2 1 331.460 3.168 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001022195704 1318837715 /nfs/dbraw/zinc/83/77/15/1318837715.db2.gz GQDPLBFZWILYND-SLFFLAALSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccnc(Br)c2)CC1 ZINC000815037374 1318871282 /nfs/dbraw/zinc/87/12/82/1318871282.db2.gz JFMWQVYMDZJXEU-UHFFFAOYSA-N 2 1 340.309 3.396 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccnc(Br)c2)CC1 ZINC000815037374 1318871287 /nfs/dbraw/zinc/87/12/87/1318871287.db2.gz JFMWQVYMDZJXEU-UHFFFAOYSA-N 2 1 340.309 3.396 20 0 EGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC000930178925 1328805345 /nfs/dbraw/zinc/80/53/45/1328805345.db2.gz JKJMYBKPXICICT-UHFFFAOYSA-N 2 1 348.450 3.219 20 0 EGADMP Cc1ccccc1CN1CCCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC000930178925 1328805350 /nfs/dbraw/zinc/80/53/50/1328805350.db2.gz JKJMYBKPXICICT-UHFFFAOYSA-N 2 1 348.450 3.219 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001023124253 1319272392 /nfs/dbraw/zinc/27/23/92/1319272392.db2.gz DODTWLYYKISGJC-AMBYYYRHSA-N 2 1 335.536 3.066 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188697 1319302682 /nfs/dbraw/zinc/30/26/82/1319302682.db2.gz XBWPBMINYUWRMA-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP c1cc2c(s1)CCO[C@@H]2C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000817900761 1319454731 /nfs/dbraw/zinc/45/47/31/1319454731.db2.gz RRWCXPUPSZAEHO-BPQIPLTHSA-N 2 1 328.481 3.445 20 0 EGADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900008 1319455681 /nfs/dbraw/zinc/45/56/81/1319455681.db2.gz JMQBPNDHQLRXDQ-VWEINGBSSA-N 2 1 329.532 3.332 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1c[nH+]ccc1N ZINC000817904249 1319456442 /nfs/dbraw/zinc/45/64/42/1319456442.db2.gz AYPXPJFJKMZEHC-BJOHPYRUSA-N 2 1 326.227 3.185 20 0 EGADMP COc1ccc([C@@H](C)NC[C@@H]2CCC[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000817946171 1319472464 /nfs/dbraw/zinc/47/24/64/1319472464.db2.gz SYYAFYOKUDTPAE-QZTJIDSGSA-N 2 1 345.531 3.331 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1nc(Br)cs1 ZINC000817949142 1319473604 /nfs/dbraw/zinc/47/36/04/1319473604.db2.gz OPDLWXFHTOSFCL-SNVBAGLBSA-N 2 1 340.290 3.258 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023364359 1319477074 /nfs/dbraw/zinc/47/70/74/1319477074.db2.gz JKGXHOCKFSFBSV-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001023364359 1319477080 /nfs/dbraw/zinc/47/70/80/1319477080.db2.gz JKGXHOCKFSFBSV-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001023364359 1319477085 /nfs/dbraw/zinc/47/70/85/1319477085.db2.gz JKGXHOCKFSFBSV-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1C[NH+]1CCCCC1 ZINC000817964880 1319479364 /nfs/dbraw/zinc/47/93/64/1319479364.db2.gz IICCKQCCCRWPLE-DNVCBOLYSA-N 3 1 331.504 3.069 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961373345 1319529579 /nfs/dbraw/zinc/52/95/79/1319529579.db2.gz GVLGSFDZROVMTH-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961373345 1319529585 /nfs/dbraw/zinc/52/95/85/1319529585.db2.gz GVLGSFDZROVMTH-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000961373345 1319529595 /nfs/dbraw/zinc/52/95/95/1319529595.db2.gz GVLGSFDZROVMTH-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023453613 1319556038 /nfs/dbraw/zinc/55/60/38/1319556038.db2.gz CYRKFEJOZBWCFS-DOTOQJQBSA-N 2 1 342.487 3.131 20 0 EGADMP O=C(NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001023466680 1319566054 /nfs/dbraw/zinc/56/60/54/1319566054.db2.gz LBLAPRGVEHJJCH-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961431757 1319585107 /nfs/dbraw/zinc/58/51/07/1319585107.db2.gz MPZYABONSXHPIA-ICSRJNTNSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961431757 1319585112 /nfs/dbraw/zinc/58/51/12/1319585112.db2.gz MPZYABONSXHPIA-ICSRJNTNSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961431757 1319585118 /nfs/dbraw/zinc/58/51/18/1319585118.db2.gz MPZYABONSXHPIA-ICSRJNTNSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961440225 1319593246 /nfs/dbraw/zinc/59/32/46/1319593246.db2.gz KTSASIIECAEPOZ-QUCCMNQESA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000818970269 1319596624 /nfs/dbraw/zinc/59/66/24/1319596624.db2.gz VTCOPDHWUIKNJL-MRXNPFEDSA-N 2 1 328.859 3.365 20 0 EGADMP O[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000818988127 1319606748 /nfs/dbraw/zinc/60/67/48/1319606748.db2.gz KXAGVVJWQIYGKA-DNVCBOLYSA-N 2 1 348.487 3.422 20 0 EGADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000818988127 1319606756 /nfs/dbraw/zinc/60/67/56/1319606756.db2.gz KXAGVVJWQIYGKA-DNVCBOLYSA-N 2 1 348.487 3.422 20 0 EGADMP Cc1ccc(NCCC[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)[nH+]c1 ZINC000819129946 1319643518 /nfs/dbraw/zinc/64/35/18/1319643518.db2.gz PWMHHZSXEISLOH-INIZCTEOSA-N 2 1 337.826 3.308 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CCC3CCCCC3)C2)CC1 ZINC001023569931 1319684437 /nfs/dbraw/zinc/68/44/37/1319684437.db2.gz WPQYSOXZGUOZMN-LJQANCHMSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632335 1319754181 /nfs/dbraw/zinc/75/41/81/1319754181.db2.gz JYCFDPULPVCSCR-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632335 1319754188 /nfs/dbraw/zinc/75/41/88/1319754188.db2.gz JYCFDPULPVCSCR-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632335 1319754197 /nfs/dbraw/zinc/75/41/97/1319754197.db2.gz JYCFDPULPVCSCR-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763212 1319911049 /nfs/dbraw/zinc/91/10/49/1319911049.db2.gz FENYTWNDQPKLPN-QZTJIDSGSA-N 2 1 345.531 3.236 20 0 EGADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c(N2CCCC2)n1 ZINC000820836154 1319965640 /nfs/dbraw/zinc/96/56/40/1319965640.db2.gz LOFZSUPKBITNIE-CTXDPNEZSA-N 2 1 340.515 3.238 20 0 EGADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c(N2CCCC2)n1 ZINC000820836154 1319965648 /nfs/dbraw/zinc/96/56/48/1319965648.db2.gz LOFZSUPKBITNIE-CTXDPNEZSA-N 2 1 340.515 3.238 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@H]1SC ZINC000839073692 1320862591 /nfs/dbraw/zinc/86/25/91/1320862591.db2.gz PIVUNIUYNKWHET-MTQWCTHYSA-N 2 1 348.556 3.397 20 0 EGADMP C[C@H]1C[C@@H](C[N@@H+]2CCc3cc(Br)cc(F)c3C2)CC[NH2+]1 ZINC000841021556 1321202257 /nfs/dbraw/zinc/20/22/57/1321202257.db2.gz XVMBQWKKLKYZBY-RYUDHWBXSA-N 2 1 341.268 3.334 20 0 EGADMP C[C@H]1C[C@@H](C[N@H+]2CCc3cc(Br)cc(F)c3C2)CC[NH2+]1 ZINC000841021556 1321202261 /nfs/dbraw/zinc/20/22/61/1321202261.db2.gz XVMBQWKKLKYZBY-RYUDHWBXSA-N 2 1 341.268 3.334 20 0 EGADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)cc(C)c1OCc1ccccn1 ZINC000841028100 1321203806 /nfs/dbraw/zinc/20/38/06/1321203806.db2.gz LRAVHFRVGBQCKF-IBGZPJMESA-N 2 1 325.456 3.104 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)c2ccc(F)cc2F)cc1 ZINC000859212947 1328946873 /nfs/dbraw/zinc/94/68/73/1328946873.db2.gz CYPSLNPCWBNRFN-IBGZPJMESA-N 2 1 334.410 3.192 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000841762878 1321308889 /nfs/dbraw/zinc/30/88/89/1321308889.db2.gz KHQCDQAGLKDEGR-NRSFXHEJSA-N 2 1 334.529 3.473 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)c2c(F)cccc2F)cc1 ZINC000859214714 1328948232 /nfs/dbraw/zinc/94/82/32/1328948232.db2.gz RSWMUHAKRCSGDL-SFHVURJKSA-N 2 1 334.410 3.192 20 0 EGADMP CCn1cncc1CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000841857547 1321324552 /nfs/dbraw/zinc/32/45/52/1321324552.db2.gz VLJLWXIXPCAYBA-UHFFFAOYSA-N 2 1 341.503 3.293 20 0 EGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(Cl)nc(Cl)c3)CC2)C1 ZINC000842478654 1321394411 /nfs/dbraw/zinc/39/44/11/1321394411.db2.gz JEEFYXYMKQDLNX-KBPBESRZSA-N 2 1 344.286 3.107 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354675 1321504867 /nfs/dbraw/zinc/50/48/67/1321504867.db2.gz BRKJPMGHZOIDLP-IGEOTXOUSA-N 2 1 337.895 3.061 20 0 EGADMP C[N@@H+](CCOc1ccccc1Br)C1CCC([NH3+])CC1 ZINC000843355530 1321505286 /nfs/dbraw/zinc/50/52/86/1321505286.db2.gz UASUCINZDJEGRD-UHFFFAOYSA-N 2 1 327.266 3.030 20 0 EGADMP COc1cccc2cc(C[N@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)oc21 ZINC000844903112 1321656268 /nfs/dbraw/zinc/65/62/68/1321656268.db2.gz SIQCMJGZIGOVEQ-TXPKVOOTSA-N 2 1 344.455 3.160 20 0 EGADMP COc1cccc2cc(C[N@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)oc21 ZINC000844903111 1321656612 /nfs/dbraw/zinc/65/66/12/1321656612.db2.gz SIQCMJGZIGOVEQ-FRQCXROJSA-N 2 1 344.455 3.160 20 0 EGADMP [NH3+]CCC1CC[NH+](CC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000846225628 1321778599 /nfs/dbraw/zinc/77/85/99/1321778599.db2.gz QCNYHDJFDRANTP-UHFFFAOYSA-N 2 1 343.443 3.001 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000846916740 1321823323 /nfs/dbraw/zinc/82/33/23/1321823323.db2.gz ADYFVCQAMHHQBG-RTWAWAEBSA-N 2 1 335.451 3.417 20 0 EGADMP CC(C)CNC(=[NH2+])NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000849061811 1322062646 /nfs/dbraw/zinc/06/26/46/1322062646.db2.gz QHUPTWJKPLJDJZ-CALCHBBNSA-N 2 1 330.520 3.434 20 0 EGADMP Cc1ccc([C@H](CNC(=[NH2+])NCc2ccc(C)cc2)[NH+]2CCCC2)o1 ZINC000849074547 1322067448 /nfs/dbraw/zinc/06/74/48/1322067448.db2.gz WPORQKGSYFXKQP-SFHVURJKSA-N 2 1 340.471 3.348 20 0 EGADMP C[C@H]1CCCN(C(=[NH2+])NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000849075785 1322067918 /nfs/dbraw/zinc/06/79/18/1322067918.db2.gz LJSVGVHIIMYNEG-FXAWDEMLSA-N 2 1 328.504 3.155 20 0 EGADMP C[C@@]1(C[NH2+]Cc2ccnn2CC2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000850285925 1322222149 /nfs/dbraw/zinc/22/21/49/1322222149.db2.gz QVZWOPLYRSJXBD-NRFANRHFSA-N 2 1 338.499 3.295 20 0 EGADMP C[C@@]1(C[NH2+]Cc2ccnn2CC2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000850285925 1322222156 /nfs/dbraw/zinc/22/21/56/1322222156.db2.gz QVZWOPLYRSJXBD-NRFANRHFSA-N 2 1 338.499 3.295 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923491607 1322760582 /nfs/dbraw/zinc/76/05/82/1322760582.db2.gz JWXLNTWQCPNEPA-IAGOWNOFSA-N 2 1 337.467 3.351 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504350 1322764433 /nfs/dbraw/zinc/76/44/33/1322764433.db2.gz QSDZVJXQSVWDPB-RKVPGOIHSA-N 2 1 325.456 3.084 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001023984581 1323065556 /nfs/dbraw/zinc/06/55/56/1323065556.db2.gz GHBHYVRCRSNYJY-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000851807260 1323094659 /nfs/dbraw/zinc/09/46/59/1323094659.db2.gz DUHBOXFSCKHEFQ-ACRUOGEOSA-N 2 1 348.531 3.056 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000851807260 1323094666 /nfs/dbraw/zinc/09/46/66/1323094666.db2.gz DUHBOXFSCKHEFQ-ACRUOGEOSA-N 2 1 348.531 3.056 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000851807260 1323094672 /nfs/dbraw/zinc/09/46/72/1323094672.db2.gz DUHBOXFSCKHEFQ-ACRUOGEOSA-N 2 1 348.531 3.056 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000924684308 1323113009 /nfs/dbraw/zinc/11/30/09/1323113009.db2.gz DQUWGPUVHDKSRE-HOJAQTOUSA-N 2 1 332.536 3.376 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1COC(C)(C)O1 ZINC000851948528 1323120597 /nfs/dbraw/zinc/12/05/97/1323120597.db2.gz WWAZNWPSNPIYDH-BHIYHBOVSA-N 2 1 332.488 3.028 20 0 EGADMP CCCNC(=O)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924732544 1323138357 /nfs/dbraw/zinc/13/83/57/1323138357.db2.gz YJYLOWYNGVTQRA-IHWFROFDSA-N 2 1 343.515 3.078 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H](C[NH2+]CC3CCCC3)C2)C1 ZINC001024119374 1323150164 /nfs/dbraw/zinc/15/01/64/1323150164.db2.gz YLHWHZFEKHXRAF-UXHICEINSA-N 2 1 349.563 3.127 20 0 EGADMP OCCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000924940013 1323222929 /nfs/dbraw/zinc/22/29/29/1323222929.db2.gz IDRKEHWDLXTMOA-FDFHNCONSA-N 2 1 344.543 3.472 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ncco3)CC2)cs1 ZINC000925030820 1323251239 /nfs/dbraw/zinc/25/12/39/1323251239.db2.gz JJVYNYVUQMGROU-CYBMUJFWSA-N 2 1 334.489 3.256 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](O)c2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000853104797 1323283416 /nfs/dbraw/zinc/28/34/16/1323283416.db2.gz XNLBHWBGXJZQKP-YFVAEKQCSA-N 2 1 339.483 3.005 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCCC1 ZINC001024366611 1323340432 /nfs/dbraw/zinc/34/04/32/1323340432.db2.gz UBVGGHIXANJUFY-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC1CCCC1 ZINC001024366611 1323340441 /nfs/dbraw/zinc/34/04/41/1323340441.db2.gz UBVGGHIXANJUFY-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCC1CCCC1 ZINC001024366611 1323340449 /nfs/dbraw/zinc/34/04/49/1323340449.db2.gz UBVGGHIXANJUFY-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024437342 1323398182 /nfs/dbraw/zinc/39/81/82/1323398182.db2.gz QQTSXTWBQBENBM-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1=CCCCC1 ZINC001024437342 1323398189 /nfs/dbraw/zinc/39/81/89/1323398189.db2.gz QQTSXTWBQBENBM-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1=CCCCC1 ZINC001024437342 1323398198 /nfs/dbraw/zinc/39/81/98/1323398198.db2.gz QQTSXTWBQBENBM-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024514124 1323464257 /nfs/dbraw/zinc/46/42/57/1323464257.db2.gz VXALTXUFGUHNNB-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC001024514124 1323464261 /nfs/dbraw/zinc/46/42/61/1323464261.db2.gz VXALTXUFGUHNNB-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCC1CCC1 ZINC001024514124 1323464267 /nfs/dbraw/zinc/46/42/67/1323464267.db2.gz VXALTXUFGUHNNB-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CC2(CCC2)C1 ZINC001024514425 1323465834 /nfs/dbraw/zinc/46/58/34/1323465834.db2.gz ZEXOWCCEUJNGAW-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001024514425 1323465837 /nfs/dbraw/zinc/46/58/37/1323465837.db2.gz ZEXOWCCEUJNGAW-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CC2(CCC2)C1 ZINC001024514425 1323465841 /nfs/dbraw/zinc/46/58/41/1323465841.db2.gz ZEXOWCCEUJNGAW-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCC1 ZINC001024693101 1323609999 /nfs/dbraw/zinc/60/99/99/1323609999.db2.gz WJZJQSULNPPPED-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCC1 ZINC001024693101 1323610008 /nfs/dbraw/zinc/61/00/08/1323610008.db2.gz WJZJQSULNPPPED-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCC1 ZINC001024693101 1323610014 /nfs/dbraw/zinc/61/00/14/1323610014.db2.gz WJZJQSULNPPPED-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CC2CC(C)C2)CC1 ZINC001024740032 1323640042 /nfs/dbraw/zinc/64/00/42/1323640042.db2.gz GXVQLUGAGYWXRF-QLOJAFMTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024812703 1323715948 /nfs/dbraw/zinc/71/59/48/1323715948.db2.gz RJPIATGBRWLYDB-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001024812703 1323715954 /nfs/dbraw/zinc/71/59/54/1323715954.db2.gz RJPIATGBRWLYDB-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CC(C)(C)C1 ZINC001024812703 1323715957 /nfs/dbraw/zinc/71/59/57/1323715957.db2.gz RJPIATGBRWLYDB-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814478 1323718719 /nfs/dbraw/zinc/71/87/19/1323718719.db2.gz TVXHCXWIUUEIQC-IBGZPJMESA-N 2 1 343.515 3.299 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(Cc3ncc(-c4ccc(Cl)cc4)o3)C[C@@H]2C1 ZINC000931431270 1329115651 /nfs/dbraw/zinc/11/56/51/1329115651.db2.gz VWUYJZAOZITNQY-CABCVRRESA-N 2 1 331.847 3.379 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ncc(-c4ccc(Cl)cc4)o3)C[C@@H]2C1 ZINC000931431270 1329115655 /nfs/dbraw/zinc/11/56/55/1329115655.db2.gz VWUYJZAOZITNQY-CABCVRRESA-N 2 1 331.847 3.379 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ncc(-c4ccc(Cl)cc4)o3)C[C@@H]2C1 ZINC000931431270 1329115659 /nfs/dbraw/zinc/11/56/59/1329115659.db2.gz VWUYJZAOZITNQY-CABCVRRESA-N 2 1 331.847 3.379 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C[C@@H]2C1 ZINC000931431270 1329115661 /nfs/dbraw/zinc/11/56/61/1329115661.db2.gz VWUYJZAOZITNQY-CABCVRRESA-N 2 1 331.847 3.379 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C[C@@H]2C1 ZINC000931431270 1329115667 /nfs/dbraw/zinc/11/56/67/1329115667.db2.gz VWUYJZAOZITNQY-CABCVRRESA-N 2 1 331.847 3.379 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)CC[N@H+]1C ZINC001025058107 1323861070 /nfs/dbraw/zinc/86/10/70/1323861070.db2.gz BTLLBGKHMUHYIY-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001025104819 1323896922 /nfs/dbraw/zinc/89/69/22/1323896922.db2.gz HMFAFXKGLIKEHB-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)c1ccc(F)cc1 ZINC000859995098 1329124293 /nfs/dbraw/zinc/12/42/93/1329124293.db2.gz KQJCHNPWIXXYLL-HXUWFJFHSA-N 2 1 330.447 3.443 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001025232886 1324018812 /nfs/dbraw/zinc/01/88/12/1324018812.db2.gz RAPPECMVEVRPAP-QZTJIDSGSA-N 2 1 335.536 3.116 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293895 1324122047 /nfs/dbraw/zinc/12/20/47/1324122047.db2.gz GMOORCAAQBBHBI-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001025470621 1324316174 /nfs/dbraw/zinc/31/61/74/1324316174.db2.gz ZCNNVNZIYFIOSB-ROUUACIJSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514789 1324360094 /nfs/dbraw/zinc/36/00/94/1324360094.db2.gz FVYURBBIZNOVRS-IAGOWNOFSA-N 2 1 349.519 3.218 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025585283 1324426995 /nfs/dbraw/zinc/42/69/95/1324426995.db2.gz NXHHATIDWYAAAE-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001026464520 1324824213 /nfs/dbraw/zinc/82/42/13/1324824213.db2.gz KGPKOLNDQZXGJT-ACBHZAAOSA-N 2 1 349.563 3.314 20 0 EGADMP CC[C@H]1COC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000925131837 1325057289 /nfs/dbraw/zinc/05/72/89/1325057289.db2.gz DPXPBNZJANVNCS-JXFKEZNVSA-N 2 1 328.456 3.426 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001026887841 1325062692 /nfs/dbraw/zinc/06/26/92/1325062692.db2.gz WIOSFQOUATVZKT-MJGOQNOKSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000963417575 1325225548 /nfs/dbraw/zinc/22/55/48/1325225548.db2.gz NWFNOMBHOOHDOS-UXHICEINSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001027103943 1325229271 /nfs/dbraw/zinc/22/92/71/1325229271.db2.gz IWWMIURLEHBIIY-MJGOQNOKSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925631701 1325240100 /nfs/dbraw/zinc/24/01/00/1325240100.db2.gz WPLRNXPEPGPXTD-ZUXXIDCJSA-N 2 1 339.886 3.202 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001027163283 1325263413 /nfs/dbraw/zinc/26/34/13/1325263413.db2.gz BKROJSBIJIQPSE-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP FC(F)(F)c1ccncc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925715664 1325268683 /nfs/dbraw/zinc/26/86/83/1325268683.db2.gz GWDKNINVJAZWLN-GDBMZVCRSA-N 2 1 327.394 3.358 20 0 EGADMP Cc1ccc(CN[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(N2CCCC2)n1 ZINC000926121099 1325435969 /nfs/dbraw/zinc/43/59/69/1325435969.db2.gz LMBFIQLIFCFFSQ-MOPGFXCFSA-N 2 1 328.504 3.097 20 0 EGADMP C/C=C\C[C@@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926200821 1325467827 /nfs/dbraw/zinc/46/78/27/1325467827.db2.gz JZLVUQYGXJMTIG-MUFRKSGPSA-N 2 1 328.500 3.489 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001027416843 1327643745 /nfs/dbraw/zinc/64/37/45/1327643745.db2.gz NHXZXYKMDLFDKK-YZGWKJHDSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@H+](C)CCC3=CCCCC3)C2)CC[NH+]1C ZINC001027416843 1327643751 /nfs/dbraw/zinc/64/37/51/1327643751.db2.gz NHXZXYKMDLFDKK-YZGWKJHDSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@@H+](C)CCC3=CCCCC3)C2)CC[NH+]1C ZINC001027416843 1327643759 /nfs/dbraw/zinc/64/37/59/1327643759.db2.gz NHXZXYKMDLFDKK-YZGWKJHDSA-N 2 1 347.547 3.140 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1 ZINC001027417168 1327644479 /nfs/dbraw/zinc/64/44/79/1327644479.db2.gz WKSQGZZHZUAVHP-FUHWJXTLSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC001027417168 1327644487 /nfs/dbraw/zinc/64/44/87/1327644487.db2.gz WKSQGZZHZUAVHP-FUHWJXTLSA-N 2 1 346.519 3.120 20 0 EGADMP C[NH+](CC1CCCCCC1)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001027441165 1327680872 /nfs/dbraw/zinc/68/08/72/1327680872.db2.gz ACUFXVIBDKVVQA-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]([N@H+](C)CC2CCCCCC2)C1)C1CCC1 ZINC001027441165 1327680882 /nfs/dbraw/zinc/68/08/82/1327680882.db2.gz ACUFXVIBDKVVQA-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCCC2)C1)C1CCC1 ZINC001027441165 1327680893 /nfs/dbraw/zinc/68/08/93/1327680893.db2.gz ACUFXVIBDKVVQA-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027477293 1327730890 /nfs/dbraw/zinc/73/08/90/1327730890.db2.gz FIOLRCBLVHYQTF-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CCOCCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000927086693 1327853758 /nfs/dbraw/zinc/85/37/58/1327853758.db2.gz MPVDAKADCINDLI-HBMCJLEFSA-N 2 1 346.515 3.072 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C1)[NH+](C)C ZINC001027579215 1327914652 /nfs/dbraw/zinc/91/46/52/1327914652.db2.gz CWQHWLCIICCNIP-PMACEKPBSA-N 2 1 345.531 3.066 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H]([N@@H+](C)CC3CCC3)C2)c1 ZINC001027692138 1328096820 /nfs/dbraw/zinc/09/68/20/1328096820.db2.gz BWSDBGYNGFFUNJ-HXUWFJFHSA-N 2 1 343.515 3.085 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H]([N@@H+](C)CCC3CC3)C2)c1 ZINC001027692766 1328098978 /nfs/dbraw/zinc/09/89/78/1328098978.db2.gz OGQZTRAQWKSULG-HXUWFJFHSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885217 1328352119 /nfs/dbraw/zinc/35/21/19/1328352119.db2.gz BNMDCHOKDBSDDD-ICSRJNTNSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885217 1328352126 /nfs/dbraw/zinc/35/21/26/1328352126.db2.gz BNMDCHOKDBSDDD-ICSRJNTNSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885217 1328352131 /nfs/dbraw/zinc/35/21/31/1328352131.db2.gz BNMDCHOKDBSDDD-ICSRJNTNSA-N 2 1 347.547 3.188 20 0 EGADMP CN(C)c1c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc(F)c1F ZINC000862353205 1329476870 /nfs/dbraw/zinc/47/68/70/1329476870.db2.gz WMMDMTXIKHXDJF-UHFFFAOYSA-N 2 1 337.458 3.339 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCC34CCOCC4)CC2)cc1 ZINC000865778346 1329737310 /nfs/dbraw/zinc/73/73/10/1329737310.db2.gz IHBYSLMORSHDIR-LJQANCHMSA-N 2 1 328.500 3.447 20 0 EGADMP Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000866666808 1330139704 /nfs/dbraw/zinc/13/97/04/1330139704.db2.gz XKOGIDPAZSCSND-WMLDXEAASA-N 2 1 349.906 3.439 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)CC1(C)C ZINC000940625870 1331131325 /nfs/dbraw/zinc/13/13/25/1331131325.db2.gz WBIFHQCIWMGTBZ-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CCC2CC2)CC1(C)C)[NH+]1CCCCC1 ZINC000940748260 1331178049 /nfs/dbraw/zinc/17/80/49/1331178049.db2.gz WUDHGHAVDUVCIG-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940864365 1331226478 /nfs/dbraw/zinc/22/64/78/1331226478.db2.gz KZRNQLPTGJFDRA-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000941158445 1331362006 /nfs/dbraw/zinc/36/20/06/1331362006.db2.gz NZMRRXLFGJJWHK-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[N@@H+](CCC2CCCC2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256338 1331890372 /nfs/dbraw/zinc/89/03/72/1331890372.db2.gz DMBRKJFEYQRWPQ-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000942518222 1331950559 /nfs/dbraw/zinc/95/05/59/1331950559.db2.gz ORLLLUCVVYUAKJ-QAPCUYQASA-N 2 1 342.487 3.211 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000942518220 1331950624 /nfs/dbraw/zinc/95/06/24/1331950624.db2.gz ORLLLUCVVYUAKJ-CRAIPNDOSA-N 2 1 342.487 3.211 20 0 EGADMP C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556101 1331971673 /nfs/dbraw/zinc/97/16/73/1331971673.db2.gz VQHXVJDUPOEBGG-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943516767 1332192068 /nfs/dbraw/zinc/19/20/68/1332192068.db2.gz MQKFFPVICLVFMF-YLJYHZDGSA-N 2 1 345.531 3.235 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945028567 1332481122 /nfs/dbraw/zinc/48/11/22/1332481122.db2.gz JQFOZHFEOWEQNE-YLJYHZDGSA-N 2 1 345.531 3.235 20 0 EGADMP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859444 1332917768 /nfs/dbraw/zinc/91/77/68/1332917768.db2.gz VGZZGDQWNDVDOA-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947505720 1333149613 /nfs/dbraw/zinc/14/96/13/1333149613.db2.gz CZPBVRGSFPACAS-MAUKXSAKSA-N 2 1 342.487 3.353 20 0 EGADMP Cc1cncn1CC(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)[C@@H](C)C1 ZINC000947548387 1333167919 /nfs/dbraw/zinc/16/79/19/1333167919.db2.gz ZBVDUUGRPHQDQP-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)[C@@H](C)C1 ZINC000947548387 1333167924 /nfs/dbraw/zinc/16/79/24/1333167924.db2.gz ZBVDUUGRPHQDQP-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)[C@@H](C)C1 ZINC000947548387 1333167930 /nfs/dbraw/zinc/16/79/30/1333167930.db2.gz ZBVDUUGRPHQDQP-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947569391 1333175098 /nfs/dbraw/zinc/17/50/98/1333175098.db2.gz XFZPFHQPWFXFRI-IEBWSBKVSA-N 2 1 345.531 3.174 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CC1=CCCCC1 ZINC000947726784 1333241936 /nfs/dbraw/zinc/24/19/36/1333241936.db2.gz SDBRYNDSVMCEJF-IEBWSBKVSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC1=CCCCC1 ZINC000947726784 1333241938 /nfs/dbraw/zinc/24/19/38/1333241938.db2.gz SDBRYNDSVMCEJF-IEBWSBKVSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CC1=CCCCC1 ZINC000947726784 1333241941 /nfs/dbraw/zinc/24/19/41/1333241941.db2.gz SDBRYNDSVMCEJF-IEBWSBKVSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1CCC1CC1 ZINC000947801354 1333265305 /nfs/dbraw/zinc/26/53/05/1333265305.db2.gz MSNKQAQAXXQGSI-OXQOHEQNSA-N 2 1 343.515 3.131 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948439018 1333525293 /nfs/dbraw/zinc/52/52/93/1333525293.db2.gz FUWPRYUXGGRXDG-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948439018 1333525298 /nfs/dbraw/zinc/52/52/98/1333525298.db2.gz FUWPRYUXGGRXDG-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948439018 1333525300 /nfs/dbraw/zinc/52/53/00/1333525300.db2.gz FUWPRYUXGGRXDG-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439575 1333526192 /nfs/dbraw/zinc/52/61/92/1333526192.db2.gz SBUOJUHTTAGHDV-AZUAARDMSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439575 1333526196 /nfs/dbraw/zinc/52/61/96/1333526196.db2.gz SBUOJUHTTAGHDV-AZUAARDMSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439575 1333526198 /nfs/dbraw/zinc/52/61/98/1333526198.db2.gz SBUOJUHTTAGHDV-AZUAARDMSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948673565 1333623387 /nfs/dbraw/zinc/62/33/87/1333623387.db2.gz BXSAESFJYLGYNU-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829593 1333701656 /nfs/dbraw/zinc/70/16/56/1333701656.db2.gz RBZUJSVRZCUJIG-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[N@H+]1CCC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948851816 1333709128 /nfs/dbraw/zinc/70/91/28/1333709128.db2.gz BOGUGINYRGANJL-FQEVSTJZSA-N 2 1 345.531 3.475 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CCC(C)CC2)CC1 ZINC000949042943 1333769604 /nfs/dbraw/zinc/76/96/04/1333769604.db2.gz PYDSCDJDUGOMBI-MHJFOBGBSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2CCC(C(C)(C)C)CC2)CC1 ZINC000949676329 1333895109 /nfs/dbraw/zinc/89/51/09/1333895109.db2.gz TWGHFHYRGUGOEO-CTWPCTMYSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1ccccc1C[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000950088414 1334011677 /nfs/dbraw/zinc/01/16/77/1334011677.db2.gz FEEKEPKISZEGOS-HXUWFJFHSA-N 2 1 345.531 3.040 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+](CC3CCCCCC3)C2)CC[N@H+]1C ZINC000950367499 1334051589 /nfs/dbraw/zinc/05/15/89/1334051589.db2.gz ILCHJIVEXIVENS-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1C[NH+](CCC(C)(C)C)C1 ZINC000950508111 1334083190 /nfs/dbraw/zinc/08/31/90/1334083190.db2.gz DVOXQZCEEXIRAO-LJQANCHMSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967266061 1335681487 /nfs/dbraw/zinc/68/14/87/1335681487.db2.gz ZIOBCIXEYYZJHE-KXBFYZLASA-N 2 1 342.487 3.211 20 0 EGADMP C[C@@H]1CC[N@@H+](CCCC2CCC2)C[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000967708782 1335805228 /nfs/dbraw/zinc/80/52/28/1335805228.db2.gz VRHMVZDXZOIORJ-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968053376 1335849047 /nfs/dbraw/zinc/84/90/47/1335849047.db2.gz DCQPQRXGOJCTPS-CRAIPNDOSA-N 2 1 349.519 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968053376 1335849050 /nfs/dbraw/zinc/84/90/50/1335849050.db2.gz DCQPQRXGOJCTPS-CRAIPNDOSA-N 2 1 349.519 3.218 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2CCCCCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968192272 1335868512 /nfs/dbraw/zinc/86/85/12/1335868512.db2.gz PXIDITZLDPEBRY-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[N@H+](CC2CCCC2)CC[C@@H]1C ZINC000968379157 1335910726 /nfs/dbraw/zinc/91/07/26/1335910726.db2.gz VTJLXTOEMOKSCH-WMZOPIPTSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[N@@H+](CC2CCCC2)CC[C@@H]1C ZINC000968379157 1335910732 /nfs/dbraw/zinc/91/07/32/1335910732.db2.gz VTJLXTOEMOKSCH-WMZOPIPTSA-N 2 1 346.519 3.023 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCC3CCCC3)CC[C@@H]2C)CC1 ZINC000968458753 1335931631 /nfs/dbraw/zinc/93/16/31/1335931631.db2.gz DUFSYMABUQGJKI-AZUAARDMSA-N 2 1 349.563 3.125 20 0 EGADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC000968676631 1336006174 /nfs/dbraw/zinc/00/61/74/1336006174.db2.gz NKMRSOOSRCIVGP-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000968733188 1336030082 /nfs/dbraw/zinc/03/00/82/1336030082.db2.gz ZHNZUZDFVGOTEN-SJLPKXTDSA-N 2 1 346.519 3.167 20 0 EGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000968915232 1336087617 /nfs/dbraw/zinc/08/76/17/1336087617.db2.gz DYQQGWIYXMHGJW-UYAOXDASSA-N 2 1 345.531 3.084 20 0 EGADMP CC(C)=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000968928921 1336093863 /nfs/dbraw/zinc/09/38/63/1336093863.db2.gz XHYMKNWNNGNBBC-WOJBJXKFSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928921 1336093866 /nfs/dbraw/zinc/09/38/66/1336093866.db2.gz XHYMKNWNNGNBBC-WOJBJXKFSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928921 1336093869 /nfs/dbraw/zinc/09/38/69/1336093869.db2.gz XHYMKNWNNGNBBC-WOJBJXKFSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968936670 1336096736 /nfs/dbraw/zinc/09/67/36/1336096736.db2.gz NJPHBCKYJIJGEJ-SFHVURJKSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000968967019 1336104449 /nfs/dbraw/zinc/10/44/49/1336104449.db2.gz HVYGEQQDBUSBFD-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC(C)C)C1 ZINC000968990709 1336112532 /nfs/dbraw/zinc/11/25/32/1336112532.db2.gz KZZFUMRTDVZHER-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC(C)C)C1 ZINC000968990709 1336112534 /nfs/dbraw/zinc/11/25/34/1336112534.db2.gz KZZFUMRTDVZHER-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC(C)C)C1 ZINC000968990709 1336112535 /nfs/dbraw/zinc/11/25/35/1336112535.db2.gz KZZFUMRTDVZHER-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000969002523 1336115483 /nfs/dbraw/zinc/11/54/83/1336115483.db2.gz VNXUSKAKKUBTRH-RTBURBONSA-N 2 1 335.536 3.164 20 0 EGADMP CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000969002523 1336115486 /nfs/dbraw/zinc/11/54/86/1336115486.db2.gz VNXUSKAKKUBTRH-RTBURBONSA-N 2 1 335.536 3.164 20 0 EGADMP CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000969002523 1336115487 /nfs/dbraw/zinc/11/54/87/1336115487.db2.gz VNXUSKAKKUBTRH-RTBURBONSA-N 2 1 335.536 3.164 20 0 EGADMP CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000969002520 1336115734 /nfs/dbraw/zinc/11/57/34/1336115734.db2.gz VNXUSKAKKUBTRH-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000969002520 1336115735 /nfs/dbraw/zinc/11/57/35/1336115735.db2.gz VNXUSKAKKUBTRH-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000969002520 1336115738 /nfs/dbraw/zinc/11/57/38/1336115738.db2.gz VNXUSKAKKUBTRH-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CCCC2CCC2)CC1 ZINC000969013772 1336118798 /nfs/dbraw/zinc/11/87/98/1336118798.db2.gz GHIAYMOATMJGGE-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CC1 ZINC000969059095 1336132577 /nfs/dbraw/zinc/13/25/77/1336132577.db2.gz FWBGZONBCRLPBS-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CC1 ZINC000969059095 1336132580 /nfs/dbraw/zinc/13/25/80/1336132580.db2.gz FWBGZONBCRLPBS-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CC1 ZINC000969059095 1336132581 /nfs/dbraw/zinc/13/25/81/1336132581.db2.gz FWBGZONBCRLPBS-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)c1cccc(Cl)c1 ZINC000969627784 1336230671 /nfs/dbraw/zinc/23/06/71/1336230671.db2.gz UUQLSCUKFQECST-OLMNPRSZSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cnc(Br)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205625579 1370815856 /nfs/dbraw/zinc/81/58/56/1370815856.db2.gz BMXGPSVYNSIICF-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cnc(Br)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205625579 1370815861 /nfs/dbraw/zinc/81/58/61/1370815861.db2.gz BMXGPSVYNSIICF-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc(Cl)ncc2Br)CC[C@@H]1C[NH3+] ZINC001205627200 1370816473 /nfs/dbraw/zinc/81/64/73/1370816473.db2.gz NTHZDXDWEMDQKS-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C2CC[NH+](C[C@H](C)CC)CC2)C1 ZINC001005869565 1336413426 /nfs/dbraw/zinc/41/34/26/1336413426.db2.gz ADVSUSNHJATVFV-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001005871501 1336413672 /nfs/dbraw/zinc/41/36/72/1336413672.db2.gz ANMZNQZNECYDPH-HXUWFJFHSA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001006121047 1336454952 /nfs/dbraw/zinc/45/49/52/1336454952.db2.gz UWCLKIXSCPLTGC-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007498687 1336658894 /nfs/dbraw/zinc/65/88/94/1336658894.db2.gz LOESSXNLCINIGL-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007498687 1336658895 /nfs/dbraw/zinc/65/88/95/1336658895.db2.gz LOESSXNLCINIGL-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001007498687 1336658896 /nfs/dbraw/zinc/65/88/96/1336658896.db2.gz LOESSXNLCINIGL-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001007498956 1336658914 /nfs/dbraw/zinc/65/89/14/1336658914.db2.gz MWLDVHPQCOHUKK-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001007498956 1336658915 /nfs/dbraw/zinc/65/89/15/1336658915.db2.gz MWLDVHPQCOHUKK-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001007498956 1336658916 /nfs/dbraw/zinc/65/89/16/1336658916.db2.gz MWLDVHPQCOHUKK-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001007786093 1336699988 /nfs/dbraw/zinc/69/99/88/1336699988.db2.gz JOLUFTKBWZTZCD-LJQANCHMSA-N 2 1 347.547 3.166 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001007789268 1336700576 /nfs/dbraw/zinc/70/05/76/1336700576.db2.gz SRCAWRHRRYRPMP-LJQANCHMSA-N 2 1 347.547 3.166 20 0 EGADMP Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007797532 1336702551 /nfs/dbraw/zinc/70/25/51/1336702551.db2.gz BJPMESHGFGBCOK-LJQANCHMSA-N 2 1 348.450 3.037 20 0 EGADMP Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001007947700 1336737463 /nfs/dbraw/zinc/73/74/63/1336737463.db2.gz IMORRUPETCMIJL-IBGZPJMESA-N 2 1 348.450 3.037 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)cs1 ZINC001008164771 1336782904 /nfs/dbraw/zinc/78/29/04/1336782904.db2.gz SZQXCOUVYANIPQ-KRWDZBQOSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)cs1 ZINC001008164771 1336782906 /nfs/dbraw/zinc/78/29/06/1336782906.db2.gz SZQXCOUVYANIPQ-KRWDZBQOSA-N 2 1 349.544 3.012 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001008772005 1336924021 /nfs/dbraw/zinc/92/40/21/1336924021.db2.gz WSDWRXSYELTTTK-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001008772005 1336924022 /nfs/dbraw/zinc/92/40/22/1336924022.db2.gz WSDWRXSYELTTTK-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001008772005 1336924024 /nfs/dbraw/zinc/92/40/24/1336924024.db2.gz WSDWRXSYELTTTK-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001008773623 1336924804 /nfs/dbraw/zinc/92/48/04/1336924804.db2.gz YYESRWLVUSFACS-QZTJIDSGSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccsc2)C1 ZINC001008773623 1336924806 /nfs/dbraw/zinc/92/48/06/1336924806.db2.gz YYESRWLVUSFACS-QZTJIDSGSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccsc2)C1 ZINC001008773623 1336924809 /nfs/dbraw/zinc/92/48/09/1336924809.db2.gz YYESRWLVUSFACS-QZTJIDSGSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC001008773623 1336924813 /nfs/dbraw/zinc/92/48/13/1336924813.db2.gz YYESRWLVUSFACS-QZTJIDSGSA-N 2 1 349.544 3.092 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001009537523 1337034851 /nfs/dbraw/zinc/03/48/51/1337034851.db2.gz NKVFBKHKLRQXJU-RTBURBONSA-N 2 1 343.515 3.041 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001009632977 1337050597 /nfs/dbraw/zinc/05/05/97/1337050597.db2.gz FVWHRNPVDRDAPH-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001009632977 1337050600 /nfs/dbraw/zinc/05/06/00/1337050600.db2.gz FVWHRNPVDRDAPH-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001009632977 1337050602 /nfs/dbraw/zinc/05/06/02/1337050602.db2.gz FVWHRNPVDRDAPH-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@]1(C[NH3+])CCCC[N@H+](CCc2ccccc2Br)C1 ZINC001206542221 1371087265 /nfs/dbraw/zinc/08/72/65/1371087265.db2.gz VMWFQFVCHYDJAL-INIZCTEOSA-N 2 1 325.294 3.443 20 0 EGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCc2ccccc2Br)C1 ZINC001206542221 1371087269 /nfs/dbraw/zinc/08/72/69/1371087269.db2.gz VMWFQFVCHYDJAL-INIZCTEOSA-N 2 1 325.294 3.443 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014413544 1337770871 /nfs/dbraw/zinc/77/08/71/1337770871.db2.gz LWLKNZBHTVNUEV-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001014413544 1337770873 /nfs/dbraw/zinc/77/08/73/1337770873.db2.gz LWLKNZBHTVNUEV-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001014413544 1337770876 /nfs/dbraw/zinc/77/08/76/1337770876.db2.gz LWLKNZBHTVNUEV-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001014593185 1337840765 /nfs/dbraw/zinc/84/07/65/1337840765.db2.gz HGDXKMXVICEPRR-HNNXBMFYSA-N 2 1 337.533 3.050 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001014593185 1337840767 /nfs/dbraw/zinc/84/07/67/1337840767.db2.gz HGDXKMXVICEPRR-HNNXBMFYSA-N 2 1 337.533 3.050 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001014705363 1337876586 /nfs/dbraw/zinc/87/65/86/1337876586.db2.gz OWAOVDFHYCOCAA-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CCCC3CCCC3)C2)C1 ZINC001014705363 1337876592 /nfs/dbraw/zinc/87/65/92/1337876592.db2.gz OWAOVDFHYCOCAA-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001014705363 1337876598 /nfs/dbraw/zinc/87/65/98/1337876598.db2.gz OWAOVDFHYCOCAA-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CCC2CCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001014908877 1337947202 /nfs/dbraw/zinc/94/72/02/1337947202.db2.gz KLQINNLHHLSLPT-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001016336657 1338554681 /nfs/dbraw/zinc/55/46/81/1338554681.db2.gz DAUNADHNIAQUDW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001016336657 1338554684 /nfs/dbraw/zinc/55/46/84/1338554684.db2.gz DAUNADHNIAQUDW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001016336657 1338554685 /nfs/dbraw/zinc/55/46/85/1338554685.db2.gz DAUNADHNIAQUDW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001016924163 1338771948 /nfs/dbraw/zinc/77/19/48/1338771948.db2.gz RKLBXEVNHZTCFZ-RBUKOAKNSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2cccc(C)c2)C1)[NH+](C)C ZINC001017154176 1338905525 /nfs/dbraw/zinc/90/55/25/1338905525.db2.gz SKRXGXDWHGUGAJ-VQTJNVASSA-N 2 1 345.531 3.006 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)Cc2cccc(C)c2)C1)[NH+](C)C ZINC001017154179 1338905787 /nfs/dbraw/zinc/90/57/87/1338905787.db2.gz SKRXGXDWHGUGAJ-WOJBJXKFSA-N 2 1 345.531 3.006 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001017208390 1338955229 /nfs/dbraw/zinc/95/52/29/1338955229.db2.gz GDEFGAKFDSVQLJ-AZUAARDMSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001017208390 1338955233 /nfs/dbraw/zinc/95/52/33/1338955233.db2.gz GDEFGAKFDSVQLJ-AZUAARDMSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001017208390 1338955238 /nfs/dbraw/zinc/95/52/38/1338955238.db2.gz GDEFGAKFDSVQLJ-AZUAARDMSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C[NH+](C)CC3CCCCC3)C2)C1 ZINC001017209564 1338956187 /nfs/dbraw/zinc/95/61/87/1338956187.db2.gz QJAWYTHMIQINAN-ICSRJNTNSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H](C[N@H+](C)CC3CCCCC3)C2)C1 ZINC001017209564 1338956191 /nfs/dbraw/zinc/95/61/91/1338956191.db2.gz QJAWYTHMIQINAN-ICSRJNTNSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H](C[N@@H+](C)CC3CCCCC3)C2)C1 ZINC001017209564 1338956197 /nfs/dbraw/zinc/95/61/97/1338956197.db2.gz QJAWYTHMIQINAN-ICSRJNTNSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001017262653 1338989382 /nfs/dbraw/zinc/98/93/82/1338989382.db2.gz DKGXWIIENAAGBZ-RTBURBONSA-N 2 1 343.515 3.014 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001017267544 1338994344 /nfs/dbraw/zinc/99/43/44/1338994344.db2.gz QJHHMTJWYZAOID-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001017267544 1338994347 /nfs/dbraw/zinc/99/43/47/1338994347.db2.gz QJHHMTJWYZAOID-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001017267544 1338994348 /nfs/dbraw/zinc/99/43/48/1338994348.db2.gz QJHHMTJWYZAOID-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001017839334 1339429476 /nfs/dbraw/zinc/42/94/76/1339429476.db2.gz KVWYTUJEHANZJX-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001017839334 1339429480 /nfs/dbraw/zinc/42/94/80/1339429480.db2.gz KVWYTUJEHANZJX-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001017839334 1339429481 /nfs/dbraw/zinc/42/94/81/1339429481.db2.gz KVWYTUJEHANZJX-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018051903 1339490974 /nfs/dbraw/zinc/49/09/74/1339490974.db2.gz LLFPYTQCOOYFMT-YSTOQKLRSA-N 2 1 347.547 3.115 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001018135665 1339510466 /nfs/dbraw/zinc/51/04/66/1339510466.db2.gz ROKUVUVKJLJXFT-BGYRXZFFSA-N 2 1 349.563 3.218 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001018873522 1339740977 /nfs/dbraw/zinc/74/09/77/1339740977.db2.gz SUHKKFRCESPAMN-WMZOPIPTSA-N 2 1 346.519 3.167 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001028104213 1340427375 /nfs/dbraw/zinc/42/73/75/1340427375.db2.gz HRHRCGJRLYWYBF-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC001028104213 1340427377 /nfs/dbraw/zinc/42/73/77/1340427377.db2.gz HRHRCGJRLYWYBF-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC(C)C ZINC001028254625 1340515187 /nfs/dbraw/zinc/51/51/87/1340515187.db2.gz YOWCEGKTCNQWBM-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC(C)C ZINC001028254625 1340515194 /nfs/dbraw/zinc/51/51/94/1340515194.db2.gz YOWCEGKTCNQWBM-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC(C)C ZINC001028254625 1340515197 /nfs/dbraw/zinc/51/51/97/1340515197.db2.gz YOWCEGKTCNQWBM-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001028333780 1340571623 /nfs/dbraw/zinc/57/16/23/1340571623.db2.gz QZZCTGZWXKFZPX-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001028579711 1340712088 /nfs/dbraw/zinc/71/20/88/1340712088.db2.gz HJFDLUIPLICWOM-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001028579711 1340712092 /nfs/dbraw/zinc/71/20/92/1340712092.db2.gz HJFDLUIPLICWOM-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001028579711 1340712097 /nfs/dbraw/zinc/71/20/97/1340712097.db2.gz HJFDLUIPLICWOM-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001028647696 1340742398 /nfs/dbraw/zinc/74/23/98/1340742398.db2.gz MBXXZAWKUGPVDJ-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001028647696 1340742400 /nfs/dbraw/zinc/74/24/00/1340742400.db2.gz MBXXZAWKUGPVDJ-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001028647696 1340742409 /nfs/dbraw/zinc/74/24/09/1340742409.db2.gz MBXXZAWKUGPVDJ-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(NC[C@H]1CC[N@@H+](CCC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001028658639 1340744865 /nfs/dbraw/zinc/74/48/65/1340744865.db2.gz BMTKKBNYCHFKPH-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001029001812 1340904792 /nfs/dbraw/zinc/90/47/92/1340904792.db2.gz CJKWGUUDQVBKIF-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001029001812 1340904793 /nfs/dbraw/zinc/90/47/93/1340904793.db2.gz CJKWGUUDQVBKIF-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001029001812 1340904795 /nfs/dbraw/zinc/90/47/95/1340904795.db2.gz CJKWGUUDQVBKIF-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC([C@@H](C)[NH2+]C(C)C)CC1 ZINC001029100715 1340930028 /nfs/dbraw/zinc/93/00/28/1340930028.db2.gz CYZWNDUILIUGOE-JKSUJKDBSA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001029107427 1340931730 /nfs/dbraw/zinc/93/17/30/1340931730.db2.gz MTAZDWVLIJGZLJ-LPHOPBHVSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001029339183 1340973994 /nfs/dbraw/zinc/97/39/94/1340973994.db2.gz TUWVMFHDOXBWAQ-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001029339183 1340973997 /nfs/dbraw/zinc/97/39/97/1340973997.db2.gz TUWVMFHDOXBWAQ-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001029339183 1340973999 /nfs/dbraw/zinc/97/39/99/1340973999.db2.gz TUWVMFHDOXBWAQ-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](C)CC2CCCC2)CC1 ZINC001029964453 1341136858 /nfs/dbraw/zinc/13/68/58/1341136858.db2.gz JNGJSHMQHHELAP-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CC2CCCC2)CC1 ZINC001029964453 1341136859 /nfs/dbraw/zinc/13/68/59/1341136859.db2.gz JNGJSHMQHHELAP-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CC2CCCC2)CC1 ZINC001029964453 1341136860 /nfs/dbraw/zinc/13/68/60/1341136860.db2.gz JNGJSHMQHHELAP-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH+](C)CC2=CCCCC2)CC1 ZINC001029995138 1341151325 /nfs/dbraw/zinc/15/13/25/1341151325.db2.gz AJIOSXGWFVAYHH-GOSISDBHSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC(C[N@H+](C)CC2=CCCCC2)CC1 ZINC001029995138 1341151326 /nfs/dbraw/zinc/15/13/26/1341151326.db2.gz AJIOSXGWFVAYHH-GOSISDBHSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC(C[N@@H+](C)CC2=CCCCC2)CC1 ZINC001029995138 1341151327 /nfs/dbraw/zinc/15/13/27/1341151327.db2.gz AJIOSXGWFVAYHH-GOSISDBHSA-N 2 1 347.547 3.142 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001030020177 1341159682 /nfs/dbraw/zinc/15/96/82/1341159682.db2.gz PRNUPINADOVBGF-CMKODMSKSA-N 2 1 343.515 3.039 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001030401660 1341184575 /nfs/dbraw/zinc/18/45/75/1341184575.db2.gz WWDHAVZSENPYSY-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001030401660 1341184576 /nfs/dbraw/zinc/18/45/76/1341184576.db2.gz WWDHAVZSENPYSY-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(NCC1C[NH+](CCCC2CCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001031730545 1341394483 /nfs/dbraw/zinc/39/44/83/1341394483.db2.gz QODJAAUEJMHZHE-FQEVSTJZSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886280 1355485117 /nfs/dbraw/zinc/48/51/17/1355485117.db2.gz MXOIIHSIVJOIFT-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001072886280 1355485120 /nfs/dbraw/zinc/48/51/20/1355485120.db2.gz MXOIIHSIVJOIFT-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001072886280 1355485122 /nfs/dbraw/zinc/48/51/22/1355485122.db2.gz MXOIIHSIVJOIFT-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001032800154 1341618667 /nfs/dbraw/zinc/61/86/67/1341618667.db2.gz XQLYENPFLVSGBR-PMACEKPBSA-N 2 1 343.515 3.083 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033145899 1341739269 /nfs/dbraw/zinc/73/92/69/1341739269.db2.gz LOOZRLFYELDMJC-MSOLQXFVSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001033145899 1341739270 /nfs/dbraw/zinc/73/92/70/1341739270.db2.gz LOOZRLFYELDMJC-MSOLQXFVSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001033145899 1341739271 /nfs/dbraw/zinc/73/92/71/1341739271.db2.gz LOOZRLFYELDMJC-MSOLQXFVSA-N 2 1 349.544 3.044 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033230666 1341755596 /nfs/dbraw/zinc/75/55/96/1341755596.db2.gz RQESCNXOFFBNGY-QFBILLFUSA-N 2 1 348.450 3.242 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033230664 1341755776 /nfs/dbraw/zinc/75/57/76/1341755776.db2.gz RQESCNXOFFBNGY-APWZRJJASA-N 2 1 348.450 3.242 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033318087 1341779140 /nfs/dbraw/zinc/77/91/40/1341779140.db2.gz GJTCDZWZTQMAND-IBGZPJMESA-N 2 1 347.547 3.284 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001033420448 1341821749 /nfs/dbraw/zinc/82/17/49/1341821749.db2.gz OZNHCHZEDBXAEG-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001033420448 1341821750 /nfs/dbraw/zinc/82/17/50/1341821750.db2.gz OZNHCHZEDBXAEG-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001033420448 1341821751 /nfs/dbraw/zinc/82/17/51/1341821751.db2.gz OZNHCHZEDBXAEG-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033466303 1341836956 /nfs/dbraw/zinc/83/69/56/1341836956.db2.gz JRRLXIQWMLOLDM-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033466303 1341836958 /nfs/dbraw/zinc/83/69/58/1341836958.db2.gz JRRLXIQWMLOLDM-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033472602 1341840260 /nfs/dbraw/zinc/84/02/60/1341840260.db2.gz YXPRSOFBMQETAN-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033472602 1341840262 /nfs/dbraw/zinc/84/02/62/1341840262.db2.gz YXPRSOFBMQETAN-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033472602 1341840264 /nfs/dbraw/zinc/84/02/64/1341840264.db2.gz YXPRSOFBMQETAN-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001033548819 1341867269 /nfs/dbraw/zinc/86/72/69/1341867269.db2.gz UPKZMYULKKDSTJ-LJQANCHMSA-N 2 1 349.563 3.076 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033686652 1341951778 /nfs/dbraw/zinc/95/17/78/1341951778.db2.gz RLYPZLQAMRTORH-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033686652 1341951782 /nfs/dbraw/zinc/95/17/82/1341951782.db2.gz RLYPZLQAMRTORH-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033686652 1341951783 /nfs/dbraw/zinc/95/17/83/1341951783.db2.gz RLYPZLQAMRTORH-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CC3=CCCCC3)C2)CC[N@H+]1C ZINC001033839713 1342036572 /nfs/dbraw/zinc/03/65/72/1342036572.db2.gz UIPPMZUOTBNCEL-SLFFLAALSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](CC3=CCCCC3)C2)CC[NH+]1C ZINC001033839713 1342036574 /nfs/dbraw/zinc/03/65/74/1342036574.db2.gz UIPPMZUOTBNCEL-SLFFLAALSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](CC3=CCCCC3)C2)CC[NH+]1C ZINC001033839713 1342036580 /nfs/dbraw/zinc/03/65/80/1342036580.db2.gz UIPPMZUOTBNCEL-SLFFLAALSA-N 2 1 347.547 3.140 20 0 EGADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC001034046737 1342186341 /nfs/dbraw/zinc/18/63/41/1342186341.db2.gz VABCTIMGQLHLDF-QFBILLFUSA-N 2 1 349.494 3.033 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001034050419 1342192188 /nfs/dbraw/zinc/19/21/88/1342192188.db2.gz LUQJPVMNABBHQL-QGZVFWFLSA-N 2 1 347.503 3.068 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCCCC2)C1 ZINC001034130537 1342259869 /nfs/dbraw/zinc/25/98/69/1342259869.db2.gz IGEHBUXFIGDXFR-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CCCCCC2)C1 ZINC001034130537 1342259870 /nfs/dbraw/zinc/25/98/70/1342259870.db2.gz IGEHBUXFIGDXFR-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCCCC2)C1 ZINC001034130537 1342259872 /nfs/dbraw/zinc/25/98/72/1342259872.db2.gz IGEHBUXFIGDXFR-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001034132965 1342262376 /nfs/dbraw/zinc/26/23/76/1342262376.db2.gz VPNPHAFRZZMPET-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001034132965 1342262378 /nfs/dbraw/zinc/26/23/78/1342262378.db2.gz VPNPHAFRZZMPET-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001034132965 1342262381 /nfs/dbraw/zinc/26/23/81/1342262381.db2.gz VPNPHAFRZZMPET-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034238485 1342339183 /nfs/dbraw/zinc/33/91/83/1342339183.db2.gz CQOSFXGMWACWHH-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034238485 1342339186 /nfs/dbraw/zinc/33/91/86/1342339186.db2.gz CQOSFXGMWACWHH-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034238485 1342339190 /nfs/dbraw/zinc/33/91/90/1342339190.db2.gz CQOSFXGMWACWHH-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034248436 1342346008 /nfs/dbraw/zinc/34/60/08/1342346008.db2.gz CEGZTSIGZXTYBL-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCCC[N@H+](CC2CCC2)C1 ZINC001034248436 1342346013 /nfs/dbraw/zinc/34/60/13/1342346013.db2.gz CEGZTSIGZXTYBL-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCCC[N@@H+](CC2CCC2)C1 ZINC001034248436 1342346016 /nfs/dbraw/zinc/34/60/16/1342346016.db2.gz CEGZTSIGZXTYBL-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034271518 1342361673 /nfs/dbraw/zinc/36/16/73/1342361673.db2.gz OITRPVWWMQBUTP-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CCCCC2)C1 ZINC001034271518 1342361677 /nfs/dbraw/zinc/36/16/77/1342361677.db2.gz OITRPVWWMQBUTP-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001034271518 1342361684 /nfs/dbraw/zinc/36/16/84/1342361684.db2.gz OITRPVWWMQBUTP-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2=CCCCC2)C1 ZINC001034272087 1342363211 /nfs/dbraw/zinc/36/32/11/1342363211.db2.gz RFFNSTAYJKCQDM-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2=CCCCC2)C1 ZINC001034272087 1342363215 /nfs/dbraw/zinc/36/32/15/1342363215.db2.gz RFFNSTAYJKCQDM-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2=CCCCC2)C1 ZINC001034272087 1342363217 /nfs/dbraw/zinc/36/32/17/1342363217.db2.gz RFFNSTAYJKCQDM-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034360469 1342431726 /nfs/dbraw/zinc/43/17/26/1342431726.db2.gz IYCZNPUPWIQNIA-HKUYNNGSSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034360469 1342431728 /nfs/dbraw/zinc/43/17/28/1342431728.db2.gz IYCZNPUPWIQNIA-HKUYNNGSSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034360469 1342431729 /nfs/dbraw/zinc/43/17/29/1342431729.db2.gz IYCZNPUPWIQNIA-HKUYNNGSSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034425846 1342488889 /nfs/dbraw/zinc/48/88/89/1342488889.db2.gz IECVZPLDYAQMSV-QGZVFWFLSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034425846 1342488891 /nfs/dbraw/zinc/48/88/91/1342488891.db2.gz IECVZPLDYAQMSV-QGZVFWFLSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034438205 1342499871 /nfs/dbraw/zinc/49/98/71/1342499871.db2.gz LMXHTOSJKIEMIP-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCC2)C1 ZINC001034438205 1342499874 /nfs/dbraw/zinc/49/98/74/1342499874.db2.gz LMXHTOSJKIEMIP-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCC2)C1 ZINC001034438205 1342499878 /nfs/dbraw/zinc/49/98/78/1342499878.db2.gz LMXHTOSJKIEMIP-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444965 1342505226 /nfs/dbraw/zinc/50/52/26/1342505226.db2.gz OCCWIFVAKUCQGJ-RTBURBONSA-N 2 1 349.494 3.081 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538258 1342594483 /nfs/dbraw/zinc/59/44/83/1342594483.db2.gz RJRXHQQHEANTKC-FQEVSTJZSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)C2)CC1 ZINC001034683775 1342690874 /nfs/dbraw/zinc/69/08/74/1342690874.db2.gz ZZFFDXPIIUFYSY-PWKSQPCKSA-N 2 1 349.563 3.170 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(C)(C)C3)CC2)CC[N@H+]1C ZINC001034714977 1342710942 /nfs/dbraw/zinc/71/09/42/1342710942.db2.gz IHGBYPVRDPOJKJ-WNHJNPCNSA-N 2 1 349.563 3.170 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1ccccc1 ZINC001034792007 1342760876 /nfs/dbraw/zinc/76/08/76/1342760876.db2.gz BPUUEIRFKDRQKX-UAFMIMERSA-N 2 1 343.515 3.106 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC001034795655 1342762807 /nfs/dbraw/zinc/76/28/07/1342762807.db2.gz OHPGXWUJUMWDPJ-FHWLQOOXSA-N 2 1 349.563 3.314 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001035101009 1342927186 /nfs/dbraw/zinc/92/71/86/1342927186.db2.gz CVBAOOPJIFEVLI-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)CC2 ZINC001035194070 1343007381 /nfs/dbraw/zinc/00/73/81/1343007381.db2.gz UFZDHHZBCQRIDA-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001035196884 1343011058 /nfs/dbraw/zinc/01/10/58/1343011058.db2.gz FWCVGYVRKHSCSQ-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035236902 1343059909 /nfs/dbraw/zinc/05/99/09/1343059909.db2.gz FBWIBPXNEULDRD-OALUTQOASA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035236902 1343059911 /nfs/dbraw/zinc/05/99/11/1343059911.db2.gz FBWIBPXNEULDRD-OALUTQOASA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035236902 1343059917 /nfs/dbraw/zinc/05/99/17/1343059917.db2.gz FBWIBPXNEULDRD-OALUTQOASA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035259877 1343086650 /nfs/dbraw/zinc/08/66/50/1343086650.db2.gz JBKVWQVNLSKORI-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C[NH2+]CC1CCCCC1 ZINC001036556389 1343552319 /nfs/dbraw/zinc/55/23/19/1343552319.db2.gz JYIKYDALMJATIX-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036834351 1343773248 /nfs/dbraw/zinc/77/32/48/1343773248.db2.gz ISNOGLQTIZRKOT-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036834351 1343773251 /nfs/dbraw/zinc/77/32/51/1343773251.db2.gz ISNOGLQTIZRKOT-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001037858089 1344143915 /nfs/dbraw/zinc/14/39/15/1344143915.db2.gz DRVCQXUPQWGLMW-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001038238225 1344337382 /nfs/dbraw/zinc/33/73/82/1344337382.db2.gz GJOOFHASDCWRFE-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001038238225 1344337385 /nfs/dbraw/zinc/33/73/85/1344337385.db2.gz GJOOFHASDCWRFE-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCC1 ZINC001038238225 1344337387 /nfs/dbraw/zinc/33/73/87/1344337387.db2.gz GJOOFHASDCWRFE-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CCC2CCCCC2)C1 ZINC001038339369 1344387346 /nfs/dbraw/zinc/38/73/46/1344387346.db2.gz GRGFCZJVWZRBOC-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCC2CCCCC2)C1 ZINC001038339369 1344387352 /nfs/dbraw/zinc/38/73/52/1344387352.db2.gz GRGFCZJVWZRBOC-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2CCC2CCCCC2)C1 ZINC001038339369 1344387355 /nfs/dbraw/zinc/38/73/55/1344387355.db2.gz GRGFCZJVWZRBOC-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CCC1CCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038352507 1344392747 /nfs/dbraw/zinc/39/27/47/1344392747.db2.gz ICXTXOCCMFRREG-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CCC1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038352507 1344392753 /nfs/dbraw/zinc/39/27/53/1344392753.db2.gz ICXTXOCCMFRREG-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CCC1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038352507 1344392756 /nfs/dbraw/zinc/39/27/56/1344392756.db2.gz ICXTXOCCMFRREG-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001038448126 1344431015 /nfs/dbraw/zinc/43/10/15/1344431015.db2.gz HBLZKHIUTWWJHW-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001038448126 1344431017 /nfs/dbraw/zinc/43/10/17/1344431017.db2.gz HBLZKHIUTWWJHW-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCC1 ZINC001038448126 1344431019 /nfs/dbraw/zinc/43/10/19/1344431019.db2.gz HBLZKHIUTWWJHW-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CCC1CCCCCC1)C12CCC[NH+]1CCC2 ZINC001038456086 1344433389 /nfs/dbraw/zinc/43/33/89/1344433389.db2.gz VFWWAKMMNVQIBO-IBGZPJMESA-N 2 1 347.547 3.166 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038467332 1344437251 /nfs/dbraw/zinc/43/72/51/1344437251.db2.gz ZHKAEQTZTAPWIG-ICSRJNTNSA-N 2 1 348.450 3.290 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038519654 1344462763 /nfs/dbraw/zinc/46/27/63/1344462763.db2.gz MAQZXJHBDQLXLP-LPHOPBHVSA-N 2 1 348.450 3.208 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCCC2CCCC2)CC1 ZINC001038865525 1344618531 /nfs/dbraw/zinc/61/85/31/1344618531.db2.gz VCWJNFZRMQCAOD-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCC1 ZINC001038901824 1344642362 /nfs/dbraw/zinc/64/23/62/1344642362.db2.gz AJERMTKFVSMBPT-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCC1 ZINC001038901824 1344642366 /nfs/dbraw/zinc/64/23/66/1344642366.db2.gz AJERMTKFVSMBPT-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001038901824 1344642369 /nfs/dbraw/zinc/64/23/69/1344642369.db2.gz AJERMTKFVSMBPT-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001039051024 1344734933 /nfs/dbraw/zinc/73/49/33/1344734933.db2.gz RFNIZWLBMYCVJR-IBGZPJMESA-N 2 1 343.515 3.133 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039133976 1344812277 /nfs/dbraw/zinc/81/22/77/1344812277.db2.gz NEUPVMGUGHODMU-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001039133976 1344812282 /nfs/dbraw/zinc/81/22/82/1344812282.db2.gz NEUPVMGUGHODMU-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001039133976 1344812284 /nfs/dbraw/zinc/81/22/84/1344812284.db2.gz NEUPVMGUGHODMU-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039137806 1344817797 /nfs/dbraw/zinc/81/77/97/1344817797.db2.gz ROOUPIYOOJEQHH-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC2)C1 ZINC001039139004 1344819165 /nfs/dbraw/zinc/81/91/65/1344819165.db2.gz FJFKNAVQKPAFTN-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC2)C1 ZINC001039139004 1344819169 /nfs/dbraw/zinc/81/91/69/1344819169.db2.gz FJFKNAVQKPAFTN-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC2)C1 ZINC001039139004 1344819173 /nfs/dbraw/zinc/81/91/73/1344819173.db2.gz FJFKNAVQKPAFTN-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)CC2)C1 ZINC001039183045 1344880912 /nfs/dbraw/zinc/88/09/12/1344880912.db2.gz UZJVAVSYBVSVJM-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039237580 1344960131 /nfs/dbraw/zinc/96/01/31/1344960131.db2.gz HQCMTZJGDAPBLJ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001039289767 1344998949 /nfs/dbraw/zinc/99/89/49/1344998949.db2.gz YTIDZUAVSHZGFD-MSRNWOCLSA-N 2 1 335.536 3.159 20 0 EGADMP CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001039374736 1345032868 /nfs/dbraw/zinc/03/28/68/1345032868.db2.gz IBDHEYMUHSNFIW-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001039374736 1345032872 /nfs/dbraw/zinc/03/28/72/1345032872.db2.gz IBDHEYMUHSNFIW-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001039374736 1345032876 /nfs/dbraw/zinc/03/28/76/1345032876.db2.gz IBDHEYMUHSNFIW-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001039386995 1345039632 /nfs/dbraw/zinc/03/96/32/1345039632.db2.gz NNKSHFQRKKNSLV-AABGKKOBSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001039386995 1345039635 /nfs/dbraw/zinc/03/96/35/1345039635.db2.gz NNKSHFQRKKNSLV-AABGKKOBSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001039386995 1345039637 /nfs/dbraw/zinc/03/96/37/1345039637.db2.gz NNKSHFQRKKNSLV-AABGKKOBSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001039415598 1345056881 /nfs/dbraw/zinc/05/68/81/1345056881.db2.gz LHEDGDFDXLEBFB-MSOLQXFVSA-N 2 1 349.563 3.362 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(C)C ZINC001039595769 1345147673 /nfs/dbraw/zinc/14/76/73/1345147673.db2.gz PQNLFFPQGMTYPD-KURKYZTESA-N 2 1 346.519 3.118 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)C ZINC001039595769 1345147678 /nfs/dbraw/zinc/14/76/78/1345147678.db2.gz PQNLFFPQGMTYPD-KURKYZTESA-N 2 1 346.519 3.118 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001039685426 1345158559 /nfs/dbraw/zinc/15/85/59/1345158559.db2.gz MSUYMESFSHETCD-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001039685426 1345158562 /nfs/dbraw/zinc/15/85/62/1345158562.db2.gz MSUYMESFSHETCD-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001039685426 1345158565 /nfs/dbraw/zinc/15/85/65/1345158565.db2.gz MSUYMESFSHETCD-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3C[C@@H](C)CC)C1 ZINC001039861135 1345217364 /nfs/dbraw/zinc/21/73/64/1345217364.db2.gz XMRBIORCVVOPSK-ZGXWSNOMSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C[C@@H](C)CC)C1 ZINC001039861135 1345217369 /nfs/dbraw/zinc/21/73/69/1345217369.db2.gz XMRBIORCVVOPSK-ZGXWSNOMSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C[C@@H](C)CC)C1 ZINC001039861135 1345217370 /nfs/dbraw/zinc/21/73/70/1345217370.db2.gz XMRBIORCVVOPSK-ZGXWSNOMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001039900071 1345240498 /nfs/dbraw/zinc/24/04/98/1345240498.db2.gz JMHGZSIGKAVFES-CEXWTWQISA-N 2 1 349.563 3.074 20 0 EGADMP CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240889 1345391438 /nfs/dbraw/zinc/39/14/38/1345391438.db2.gz KRJONPQDRIIJNX-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001040240889 1345391443 /nfs/dbraw/zinc/39/14/43/1345391443.db2.gz KRJONPQDRIIJNX-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001040240889 1345391449 /nfs/dbraw/zinc/39/14/49/1345391449.db2.gz KRJONPQDRIIJNX-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040241642 1345391868 /nfs/dbraw/zinc/39/18/68/1345391868.db2.gz QKPBLNRMLPHJQW-TZIWHRDSSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001040241642 1345391871 /nfs/dbraw/zinc/39/18/71/1345391871.db2.gz QKPBLNRMLPHJQW-TZIWHRDSSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001040241642 1345391874 /nfs/dbraw/zinc/39/18/74/1345391874.db2.gz QKPBLNRMLPHJQW-TZIWHRDSSA-N 2 1 347.547 3.118 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040261777 1345400932 /nfs/dbraw/zinc/40/09/32/1345400932.db2.gz AJQCNROVGQCOMY-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040261777 1345400936 /nfs/dbraw/zinc/40/09/36/1345400936.db2.gz AJQCNROVGQCOMY-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001040261777 1345400939 /nfs/dbraw/zinc/40/09/39/1345400939.db2.gz AJQCNROVGQCOMY-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1=CCCCC1)C2)[NH+](C)C ZINC001040262651 1345401192 /nfs/dbraw/zinc/40/11/92/1345401192.db2.gz UFJFBNXURRTFRN-CTNGQTDRSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1=CCCCC1)C2)[NH+](C)C ZINC001040262654 1345401773 /nfs/dbraw/zinc/40/17/73/1345401773.db2.gz UFJFBNXURRTFRN-TZIWHRDSSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040327573 1345434005 /nfs/dbraw/zinc/43/40/05/1345434005.db2.gz GGYNKMNVGPIWHY-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC(C)(C)C1)C2)[NH+](C)C ZINC001040398838 1345476387 /nfs/dbraw/zinc/47/63/87/1345476387.db2.gz JRZVSQSUKGBMBQ-RXVVDRJESA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040432934 1345495816 /nfs/dbraw/zinc/49/58/16/1345495816.db2.gz QIURGPGLYNEKLJ-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040432934 1345495819 /nfs/dbraw/zinc/49/58/19/1345495819.db2.gz QIURGPGLYNEKLJ-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040481249 1345514947 /nfs/dbraw/zinc/51/49/47/1345514947.db2.gz ZTNZRZNMYSPJLF-NRFANRHFSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001040817499 1345582064 /nfs/dbraw/zinc/58/20/64/1345582064.db2.gz RICPXUBNSYPDML-LJQANCHMSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042063373 1345933422 /nfs/dbraw/zinc/93/34/22/1345933422.db2.gz VSPJMIQIWFYLSS-OALUTQOASA-N 2 1 347.547 3.140 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042085441 1345940598 /nfs/dbraw/zinc/94/05/98/1345940598.db2.gz NOFBRNFAQYNCLT-NVXWUHKLSA-N 2 1 349.544 3.146 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042085441 1345940599 /nfs/dbraw/zinc/94/05/99/1345940599.db2.gz NOFBRNFAQYNCLT-NVXWUHKLSA-N 2 1 349.544 3.146 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042254249 1346007075 /nfs/dbraw/zinc/00/70/75/1346007075.db2.gz JOOODYQSCWDYJO-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)C1C[NH+](CCCC2CCCC2)C1 ZINC001042723357 1346110487 /nfs/dbraw/zinc/11/04/87/1346110487.db2.gz HVCAUQLVQNOSTL-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1C[NH+](CCC2=CCCCC2)C1 ZINC001043075424 1346137084 /nfs/dbraw/zinc/13/70/84/1346137084.db2.gz ZBPHOQFLAJZREN-ICSRJNTNSA-N 2 1 345.531 3.036 20 0 EGADMP CN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1C[NH+](CCC2=CCCCC2)C1 ZINC001043075424 1346137086 /nfs/dbraw/zinc/13/70/86/1346137086.db2.gz ZBPHOQFLAJZREN-ICSRJNTNSA-N 2 1 345.531 3.036 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001043519097 1346186055 /nfs/dbraw/zinc/18/60/55/1346186055.db2.gz AFBAMLZHRXDFSI-IBGZPJMESA-N 2 1 343.515 3.155 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CCCC2CCC2)C1 ZINC001044170931 1346265596 /nfs/dbraw/zinc/26/55/96/1346265596.db2.gz YFJWSOWFAVGEAX-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CCCC2CCC2)C1 ZINC001044170931 1346265601 /nfs/dbraw/zinc/26/56/01/1346265601.db2.gz YFJWSOWFAVGEAX-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CCC(C)(C)CC2)CC[N@H+]1C ZINC001045043879 1346484893 /nfs/dbraw/zinc/48/48/93/1346484893.db2.gz QNKSZDVJKOBLCT-NZSAHSFTSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045060679 1346488468 /nfs/dbraw/zinc/48/84/68/1346488468.db2.gz GZPKFZVMEZGZEF-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001045201225 1346529278 /nfs/dbraw/zinc/52/92/78/1346529278.db2.gz YGIBBPDSERZASR-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001045438691 1346594073 /nfs/dbraw/zinc/59/40/73/1346594073.db2.gz VTVIHMLHYHYWED-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CC3CCCCCC3)CC2)CC[N@H+]1C ZINC001045444773 1346595744 /nfs/dbraw/zinc/59/57/44/1346595744.db2.gz HIIQKJIBQAUWEN-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1(C)CC[NH+](CCCC2CCCC2)CC1 ZINC001045557504 1346628629 /nfs/dbraw/zinc/62/86/29/1346628629.db2.gz MXPUNYXSEPAZMR-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1(C)CC[NH+](CC2CCCCCC2)CC1 ZINC001045557370 1346628715 /nfs/dbraw/zinc/62/87/15/1346628715.db2.gz IMQGEXVIHBZKPY-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001045585506 1346637721 /nfs/dbraw/zinc/63/77/21/1346637721.db2.gz RYPLQAUMRLZXMY-QZTJIDSGSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CC=C(C)C)C1 ZINC001045832883 1346713857 /nfs/dbraw/zinc/71/38/57/1346713857.db2.gz FUDIBVOHHNOOHW-AQNXPRMDSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC=C(C)C)C1 ZINC001045832883 1346713858 /nfs/dbraw/zinc/71/38/58/1346713858.db2.gz FUDIBVOHHNOOHW-AQNXPRMDSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC=C(C)C)C1 ZINC001045832883 1346713859 /nfs/dbraw/zinc/71/38/59/1346713859.db2.gz FUDIBVOHHNOOHW-AQNXPRMDSA-N 2 1 347.547 3.140 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001046198581 1346886207 /nfs/dbraw/zinc/88/62/07/1346886207.db2.gz VXXNXUPKTCNNBA-ICSRJNTNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCC2CCCCCC2)C1 ZINC001046198581 1346886210 /nfs/dbraw/zinc/88/62/10/1346886210.db2.gz VXXNXUPKTCNNBA-ICSRJNTNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCC2CCCCCC2)C1 ZINC001046198581 1346886214 /nfs/dbraw/zinc/88/62/14/1346886214.db2.gz VXXNXUPKTCNNBA-ICSRJNTNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046318368 1346932940 /nfs/dbraw/zinc/93/29/40/1346932940.db2.gz KUJDOQKAJAHRAT-RXVVDRJESA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046318368 1346932943 /nfs/dbraw/zinc/93/29/43/1346932943.db2.gz KUJDOQKAJAHRAT-RXVVDRJESA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046318368 1346932944 /nfs/dbraw/zinc/93/29/44/1346932944.db2.gz KUJDOQKAJAHRAT-RXVVDRJESA-N 2 1 347.547 3.188 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001046555189 1347015048 /nfs/dbraw/zinc/01/50/48/1347015048.db2.gz BELRTUYAVDLARJ-RXVVDRJESA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001046555189 1347015049 /nfs/dbraw/zinc/01/50/49/1347015049.db2.gz BELRTUYAVDLARJ-RXVVDRJESA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001046555189 1347015050 /nfs/dbraw/zinc/01/50/50/1347015050.db2.gz BELRTUYAVDLARJ-RXVVDRJESA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCC(C)(C)C)C2)C1 ZINC001046561038 1347017585 /nfs/dbraw/zinc/01/75/85/1347017585.db2.gz AVIXJUVQFAXXOX-XLIONFOSSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001046561038 1347017587 /nfs/dbraw/zinc/01/75/87/1347017587.db2.gz AVIXJUVQFAXXOX-XLIONFOSSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001046561038 1347017589 /nfs/dbraw/zinc/01/75/89/1347017589.db2.gz AVIXJUVQFAXXOX-XLIONFOSSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047240944 1347266942 /nfs/dbraw/zinc/26/69/42/1347266942.db2.gz LVGOWAOEUWUDCC-VQTJNVASSA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047242346 1347267978 /nfs/dbraw/zinc/26/79/78/1347267978.db2.gz CNAQACBHXAOWDN-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001047243280 1347269281 /nfs/dbraw/zinc/26/92/81/1347269281.db2.gz JINRVEWBVUSDFQ-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001048294288 1347511144 /nfs/dbraw/zinc/51/11/44/1347511144.db2.gz DVCONGBPDJUCJC-WMZOPIPTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001048527535 1347578656 /nfs/dbraw/zinc/57/86/56/1347578656.db2.gz ROTZOEHDIYDJAM-OUUBHVDSSA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001048527535 1347578658 /nfs/dbraw/zinc/57/86/58/1347578658.db2.gz ROTZOEHDIYDJAM-OUUBHVDSSA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001048527535 1347578661 /nfs/dbraw/zinc/57/86/61/1347578661.db2.gz ROTZOEHDIYDJAM-OUUBHVDSSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001048578554 1347602947 /nfs/dbraw/zinc/60/29/47/1347602947.db2.gz RDRWQKWQRLEKTA-FNLKRUPLSA-N 2 1 349.563 3.122 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC ZINC001048583169 1347605824 /nfs/dbraw/zinc/60/58/24/1347605824.db2.gz FAIIAJUUIJAIQB-YRPNKDGESA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC ZINC001048583169 1347605826 /nfs/dbraw/zinc/60/58/26/1347605826.db2.gz FAIIAJUUIJAIQB-YRPNKDGESA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC ZINC001048583169 1347605827 /nfs/dbraw/zinc/60/58/27/1347605827.db2.gz FAIIAJUUIJAIQB-YRPNKDGESA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001048590758 1347610017 /nfs/dbraw/zinc/61/00/17/1347610017.db2.gz ZBWXTXPTAFFABV-FNLKRUPLSA-N 2 1 343.515 3.131 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]C(C)C)CC1 ZINC001048610157 1347617490 /nfs/dbraw/zinc/61/74/90/1347617490.db2.gz WUDLEUQVQNTIJI-GUDVDZBRSA-N 2 1 337.552 3.027 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049478562 1347868908 /nfs/dbraw/zinc/86/89/08/1347868908.db2.gz PTZVZCFRXGFZQL-GBESFXJTSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514391 1347886059 /nfs/dbraw/zinc/88/60/59/1347886059.db2.gz DLOTWSJPTDNALO-VAMGGRTRSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001049514391 1347886060 /nfs/dbraw/zinc/88/60/60/1347886060.db2.gz DLOTWSJPTDNALO-VAMGGRTRSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514391 1347886062 /nfs/dbraw/zinc/88/60/62/1347886062.db2.gz DLOTWSJPTDNALO-VAMGGRTRSA-N 2 1 349.563 3.076 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CC1 ZINC001049564699 1347912176 /nfs/dbraw/zinc/91/21/76/1347912176.db2.gz PLFFLNHNWBDEST-MOPGFXCFSA-N 2 1 347.547 3.115 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC001049564699 1347912179 /nfs/dbraw/zinc/91/21/79/1347912179.db2.gz PLFFLNHNWBDEST-MOPGFXCFSA-N 2 1 347.547 3.115 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CC1 ZINC001049564699 1347912183 /nfs/dbraw/zinc/91/21/83/1347912183.db2.gz PLFFLNHNWBDEST-MOPGFXCFSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049595030 1347928044 /nfs/dbraw/zinc/92/80/44/1347928044.db2.gz RHASPETWKPIBAM-ZYSHUDEJSA-N 2 1 340.471 3.059 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1=CCCCC1)[NH+](C)C ZINC001049702596 1347981002 /nfs/dbraw/zinc/98/10/02/1347981002.db2.gz IHDUVGJOCBGRHL-SLFFLAALSA-N 2 1 347.547 3.138 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049765795 1348009492 /nfs/dbraw/zinc/00/94/92/1348009492.db2.gz HZDYOZWXFJYYRR-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)CC ZINC001050252988 1348219584 /nfs/dbraw/zinc/21/95/84/1348219584.db2.gz GRZSWUKALLOQHS-FQEVSTJZSA-N 2 1 345.531 3.409 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)CC ZINC001050252988 1348219586 /nfs/dbraw/zinc/21/95/86/1348219586.db2.gz GRZSWUKALLOQHS-FQEVSTJZSA-N 2 1 345.531 3.409 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)CC ZINC001050252988 1348219587 /nfs/dbraw/zinc/21/95/87/1348219587.db2.gz GRZSWUKALLOQHS-FQEVSTJZSA-N 2 1 345.531 3.409 20 0 EGADMP CC(C)[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001050261624 1348221686 /nfs/dbraw/zinc/22/16/86/1348221686.db2.gz HQUWRFQBCQUPFW-VQIMIIECSA-N 2 1 331.504 3.235 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CC(C)C2)CC1 ZINC001050325444 1348228357 /nfs/dbraw/zinc/22/83/57/1348228357.db2.gz DTAZRNYCPIWDRK-DRRJLQACSA-N 2 1 349.563 3.170 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001050332977 1348229627 /nfs/dbraw/zinc/22/96/27/1348229627.db2.gz PYWTYAPUOZOMJM-VAMGGRTRSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CCC3=CCCCC3)CC2)CC[N@H+]1C ZINC001052392695 1348539215 /nfs/dbraw/zinc/53/92/15/1348539215.db2.gz APZFDAUIVRLKAM-YZGWKJHDSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](CCC3=CCCCC3)CC2)CC[NH+]1C ZINC001052392695 1348539218 /nfs/dbraw/zinc/53/92/18/1348539218.db2.gz APZFDAUIVRLKAM-YZGWKJHDSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](CCC3=CCCCC3)CC2)CC[NH+]1C ZINC001052392695 1348539222 /nfs/dbraw/zinc/53/92/22/1348539222.db2.gz APZFDAUIVRLKAM-YZGWKJHDSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447470 1348543510 /nfs/dbraw/zinc/54/35/10/1348543510.db2.gz FLHZYQMMFDAYRP-AZUAARDMSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052447470 1348543512 /nfs/dbraw/zinc/54/35/12/1348543512.db2.gz FLHZYQMMFDAYRP-AZUAARDMSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052447470 1348543513 /nfs/dbraw/zinc/54/35/13/1348543513.db2.gz FLHZYQMMFDAYRP-AZUAARDMSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447001 1348543543 /nfs/dbraw/zinc/54/35/43/1348543543.db2.gz VHDPRXXWPDNZJO-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052447001 1348543544 /nfs/dbraw/zinc/54/35/44/1348543544.db2.gz VHDPRXXWPDNZJO-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052447001 1348543546 /nfs/dbraw/zinc/54/35/46/1348543546.db2.gz VHDPRXXWPDNZJO-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052448126 1348544143 /nfs/dbraw/zinc/54/41/43/1348544143.db2.gz VBSFUQWGIFZIOZ-ROUUACIJSA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052448126 1348544145 /nfs/dbraw/zinc/54/41/45/1348544145.db2.gz VBSFUQWGIFZIOZ-ROUUACIJSA-N 2 1 346.519 3.167 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](CCC(C)C)CC2)C1 ZINC001052651924 1348614727 /nfs/dbraw/zinc/61/47/27/1348614727.db2.gz PBRMXIUECAYEGX-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@H+](CCC(C)C)CC2)C1 ZINC001052651924 1348614729 /nfs/dbraw/zinc/61/47/29/1348614729.db2.gz PBRMXIUECAYEGX-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCC(C)C)CC2)C1 ZINC001052651924 1348614733 /nfs/dbraw/zinc/61/47/33/1348614733.db2.gz PBRMXIUECAYEGX-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)CC1 ZINC001052712688 1348644888 /nfs/dbraw/zinc/64/48/88/1348644888.db2.gz NLMRQUZFHDJUAF-QUCCMNQESA-N 2 1 347.547 3.332 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC001052712688 1348644892 /nfs/dbraw/zinc/64/48/92/1348644892.db2.gz NLMRQUZFHDJUAF-QUCCMNQESA-N 2 1 347.547 3.332 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC001052712688 1348644896 /nfs/dbraw/zinc/64/48/96/1348644896.db2.gz NLMRQUZFHDJUAF-QUCCMNQESA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764986 1348670321 /nfs/dbraw/zinc/67/03/21/1348670321.db2.gz UTLMMOPGDSCIOA-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052859798 1348705982 /nfs/dbraw/zinc/70/59/82/1348705982.db2.gz NJOSFXQYXASLDH-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001052859798 1348705985 /nfs/dbraw/zinc/70/59/85/1348705985.db2.gz NJOSFXQYXASLDH-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001052859798 1348705986 /nfs/dbraw/zinc/70/59/86/1348705986.db2.gz NJOSFXQYXASLDH-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052937885 1348756798 /nfs/dbraw/zinc/75/67/98/1348756798.db2.gz ONWXMNOLCQMIBK-RBUKOAKNSA-N 2 1 343.515 3.123 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](CC3CCC3)CC2)c1 ZINC001052954972 1348768255 /nfs/dbraw/zinc/76/82/55/1348768255.db2.gz XNLWSLDUISSYOC-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052955409 1348769370 /nfs/dbraw/zinc/76/93/70/1348769370.db2.gz FMZMCWWMKAKFTI-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001052955409 1348769372 /nfs/dbraw/zinc/76/93/72/1348769372.db2.gz FMZMCWWMKAKFTI-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001052955409 1348769375 /nfs/dbraw/zinc/76/93/75/1348769375.db2.gz FMZMCWWMKAKFTI-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCC(C)(C)C)CC1 ZINC001052986508 1348789180 /nfs/dbraw/zinc/78/91/80/1348789180.db2.gz OSIWJZOEWMQPTQ-KDURUIRLSA-N 2 1 349.563 3.218 20 0 EGADMP CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH+](C(C)C)CC2)CCC1 ZINC001052989832 1348789563 /nfs/dbraw/zinc/78/95/63/1348789563.db2.gz ZDCJEVCQSHRGFR-KDURUIRLSA-N 2 1 347.547 3.115 20 0 EGADMP CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH+](C(C)C)CC2)CCC1 ZINC001052989832 1348789568 /nfs/dbraw/zinc/78/95/68/1348789568.db2.gz ZDCJEVCQSHRGFR-KDURUIRLSA-N 2 1 347.547 3.115 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053038973 1348839760 /nfs/dbraw/zinc/83/97/60/1348839760.db2.gz BLKHCBZJCWJDAR-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001053038973 1348839764 /nfs/dbraw/zinc/83/97/64/1348839764.db2.gz BLKHCBZJCWJDAR-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001053038973 1348839766 /nfs/dbraw/zinc/83/97/66/1348839766.db2.gz BLKHCBZJCWJDAR-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053047746 1348849685 /nfs/dbraw/zinc/84/96/85/1348849685.db2.gz RTTQHSLKYLPDCH-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001079965367 1357440989 /nfs/dbraw/zinc/44/09/89/1357440989.db2.gz GPLWWKDBTMDVAX-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001079965367 1357440991 /nfs/dbraw/zinc/44/09/91/1357440991.db2.gz GPLWWKDBTMDVAX-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001079965367 1357440993 /nfs/dbraw/zinc/44/09/93/1357440993.db2.gz GPLWWKDBTMDVAX-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001079965367 1357440996 /nfs/dbraw/zinc/44/09/96/1357440996.db2.gz GPLWWKDBTMDVAX-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159455 1349161256 /nfs/dbraw/zinc/16/12/56/1349161256.db2.gz VSWNPXXMLJNQEO-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159455 1349161260 /nfs/dbraw/zinc/16/12/60/1349161260.db2.gz VSWNPXXMLJNQEO-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159455 1349161262 /nfs/dbraw/zinc/16/12/62/1349161262.db2.gz VSWNPXXMLJNQEO-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174425 1349175630 /nfs/dbraw/zinc/17/56/30/1349175630.db2.gz OZHGRJCAECQDST-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054187472 1349190733 /nfs/dbraw/zinc/19/07/33/1349190733.db2.gz SCDNNFKYTHIVTP-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209166 1349210750 /nfs/dbraw/zinc/21/07/50/1349210750.db2.gz KPXDYPMWUTZBPI-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)cc2C1 ZINC001054285716 1349288123 /nfs/dbraw/zinc/28/81/23/1349288123.db2.gz WIFJHTGNYAFXRW-UXHICEINSA-N 2 1 341.499 3.045 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)cc2C1 ZINC001054285716 1349288126 /nfs/dbraw/zinc/28/81/26/1349288126.db2.gz WIFJHTGNYAFXRW-UXHICEINSA-N 2 1 341.499 3.045 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)cc2C1 ZINC001054285716 1349288128 /nfs/dbraw/zinc/28/81/28/1349288128.db2.gz WIFJHTGNYAFXRW-UXHICEINSA-N 2 1 341.499 3.045 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001054297492 1349301974 /nfs/dbraw/zinc/30/19/74/1349301974.db2.gz JZMCEPFJSGOVBL-GGPKGHCWSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1[NH2+]CC1CCCC1 ZINC001054823361 1349479558 /nfs/dbraw/zinc/47/95/58/1349479558.db2.gz LHANSDPMYPMBFJ-VQIMIIECSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001080136105 1357497183 /nfs/dbraw/zinc/49/71/83/1357497183.db2.gz BDTUJQCZPIAOGQ-JXXFODFXSA-N 2 1 348.450 3.146 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc3cc(Br)ccc3[nH]2)C1 ZINC001237058537 1376975135 /nfs/dbraw/zinc/97/51/35/1376975135.db2.gz QHFNXXHCTQWGJL-INIZCTEOSA-N 2 1 336.277 3.491 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc3cc(Br)ccc3[nH]2)C1 ZINC001237058537 1376975141 /nfs/dbraw/zinc/97/51/41/1376975141.db2.gz QHFNXXHCTQWGJL-INIZCTEOSA-N 2 1 336.277 3.491 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC)C1 ZINC001183128962 1387266723 /nfs/dbraw/zinc/26/67/23/1387266723.db2.gz BDGHIDKVJHQGQU-WSTZPKSXSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)=CC[N@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001071545502 1354757667 /nfs/dbraw/zinc/75/76/67/1354757667.db2.gz AQZAWSWYJRCDOW-NVXWUHKLSA-N 2 1 349.544 3.359 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001071545502 1354757670 /nfs/dbraw/zinc/75/76/70/1354757670.db2.gz AQZAWSWYJRCDOW-NVXWUHKLSA-N 2 1 349.544 3.359 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CC1=CCCCC1 ZINC001071738959 1354888715 /nfs/dbraw/zinc/88/87/15/1354888715.db2.gz LPTDLXLRGLRTRW-HKUYNNGSSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CCC1CCCC1 ZINC001071822484 1354962531 /nfs/dbraw/zinc/96/25/31/1354962531.db2.gz XSUHZMGOLXLDHV-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CCC1CCCC1 ZINC001071822484 1354962534 /nfs/dbraw/zinc/96/25/34/1354962534.db2.gz XSUHZMGOLXLDHV-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CCC1CCCC1 ZINC001071822484 1354962535 /nfs/dbraw/zinc/96/25/35/1354962535.db2.gz XSUHZMGOLXLDHV-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001071827841 1354964555 /nfs/dbraw/zinc/96/45/55/1354964555.db2.gz FCUNEJCSMRAGBD-XLIONFOSSA-N 2 1 345.531 3.029 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CC1CCCCC1 ZINC001071871668 1354996107 /nfs/dbraw/zinc/99/61/07/1354996107.db2.gz JFWRNCLZCZNQSC-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CCC1CCCCCC1 ZINC001072082381 1355119293 /nfs/dbraw/zinc/11/92/93/1355119293.db2.gz ZCPPPUSFZNWZPN-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001072084407 1355119968 /nfs/dbraw/zinc/11/99/68/1355119968.db2.gz BPPVZTVCFDCTMZ-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001072084407 1355119969 /nfs/dbraw/zinc/11/99/69/1355119969.db2.gz BPPVZTVCFDCTMZ-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001074063994 1356062633 /nfs/dbraw/zinc/06/26/33/1356062633.db2.gz YXCSAASETDDSFT-HXUWFJFHSA-N 2 1 345.531 3.126 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001074075481 1356070377 /nfs/dbraw/zinc/07/03/77/1356070377.db2.gz BNEMWMLXEMTRLP-LYBXBRPPSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1cc(C[NH2+][C@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@H]2C)cs1 ZINC001074693501 1356224251 /nfs/dbraw/zinc/22/42/51/1356224251.db2.gz DANMQBZQWYUQFA-SZMVWBNQSA-N 2 1 349.544 3.010 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001183254295 1387285924 /nfs/dbraw/zinc/28/59/24/1387285924.db2.gz BVFBGMWKZUZSOL-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099126455 1363638910 /nfs/dbraw/zinc/63/89/10/1363638910.db2.gz SJWWUYFHWVFFSB-QZTJIDSGSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H](C)c2ccccc2)C1 ZINC001183517173 1387316217 /nfs/dbraw/zinc/31/62/17/1387316217.db2.gz SRVIJOHBPZLFHL-LVCYWYKZSA-N 2 1 345.531 3.162 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCC(C)(C)C)[C@H]3C2)CC[N@H+]1C ZINC001084944911 1358353051 /nfs/dbraw/zinc/35/30/51/1358353051.db2.gz WOWLBMYONSAYDL-HCXYKTFWSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCC(C)(C)C)[C@H]3C2)CC[NH+]1C ZINC001084944911 1358353053 /nfs/dbraw/zinc/35/30/53/1358353053.db2.gz WOWLBMYONSAYDL-HCXYKTFWSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCC(C)(C)C)[C@H]3C2)CC[NH+]1C ZINC001084944911 1358353057 /nfs/dbraw/zinc/35/30/57/1358353057.db2.gz WOWLBMYONSAYDL-HCXYKTFWSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001085067182 1358382102 /nfs/dbraw/zinc/38/21/02/1358382102.db2.gz VDHSUDCHUDJPDB-GGPKGHCWSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC001085196655 1358431179 /nfs/dbraw/zinc/43/11/79/1358431179.db2.gz JDDDQEQXRFOSRT-VAMGGRTRSA-N 2 1 343.515 3.076 20 0 EGADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085225380 1358437802 /nfs/dbraw/zinc/43/78/02/1358437802.db2.gz TUTZBSLPXWKBGY-VAMGGRTRSA-N 2 1 347.547 3.211 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001085331885 1358469938 /nfs/dbraw/zinc/46/99/38/1358469938.db2.gz CLAMJCVJIZRAAJ-MISYRCLQSA-N 2 1 349.563 3.458 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183754310 1387343801 /nfs/dbraw/zinc/34/38/01/1387343801.db2.gz XFXAEQHAMRFNOM-TZIWHRDSSA-N 2 1 349.478 3.396 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183754310 1387343805 /nfs/dbraw/zinc/34/38/05/1387343805.db2.gz XFXAEQHAMRFNOM-TZIWHRDSSA-N 2 1 349.478 3.396 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1)c1ccc(F)cc1 ZINC001183764967 1387345423 /nfs/dbraw/zinc/34/54/23/1387345423.db2.gz LAGIETZEDGCPEB-MSOLQXFVSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085597764 1358624772 /nfs/dbraw/zinc/62/47/72/1358624772.db2.gz FSQQOKNGEDOJDQ-AZUAARDMSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085597764 1358624779 /nfs/dbraw/zinc/62/47/79/1358624779.db2.gz FSQQOKNGEDOJDQ-AZUAARDMSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085597764 1358624782 /nfs/dbraw/zinc/62/47/82/1358624782.db2.gz FSQQOKNGEDOJDQ-AZUAARDMSA-N 2 1 347.547 3.140 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085988128 1358939011 /nfs/dbraw/zinc/93/90/11/1358939011.db2.gz WGHLNMOPZJLAMA-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001085988128 1358939016 /nfs/dbraw/zinc/93/90/16/1358939016.db2.gz WGHLNMOPZJLAMA-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001085988128 1358939018 /nfs/dbraw/zinc/93/90/18/1358939018.db2.gz WGHLNMOPZJLAMA-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086121824 1359002415 /nfs/dbraw/zinc/00/24/15/1359002415.db2.gz KZFFUFFZKIWTDI-HSALFYBXSA-N 2 1 349.563 3.316 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCC(C)CC3)C2)CC[N@H+]1C ZINC001086371022 1359079481 /nfs/dbraw/zinc/07/94/81/1359079481.db2.gz MBGXQTCPGXLACW-GJTWTXHOSA-N 2 1 349.563 3.027 20 0 EGADMP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001086456146 1359102359 /nfs/dbraw/zinc/10/23/59/1359102359.db2.gz SLYZUPKBDREZMT-BJLQDIEVSA-N 2 1 347.547 3.068 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086477852 1359113836 /nfs/dbraw/zinc/11/38/36/1359113836.db2.gz ASVRKZPHANJVDX-FRYIKTPZSA-N 2 1 349.563 3.029 20 0 EGADMP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001086503039 1359121895 /nfs/dbraw/zinc/12/18/95/1359121895.db2.gz ZSUJKPIZVFKBMQ-MUGJNUQGSA-N 2 1 347.547 3.068 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC001086783585 1359200827 /nfs/dbraw/zinc/20/08/27/1359200827.db2.gz HNTMPONVZFNYEU-SLFFLAALSA-N 2 1 349.563 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC001086783586 1359200843 /nfs/dbraw/zinc/20/08/43/1359200843.db2.gz HNTMPONVZFNYEU-XUVXKRRUSA-N 2 1 349.563 3.173 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086907784 1359236449 /nfs/dbraw/zinc/23/64/49/1359236449.db2.gz BNYSCOREVKADKI-IEBWSBKVSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001086938057 1359260318 /nfs/dbraw/zinc/26/03/18/1359260318.db2.gz GXAMYTAWPCRZFN-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001086937934 1359260732 /nfs/dbraw/zinc/26/07/32/1359260732.db2.gz DHRQIOWFHLZYDA-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC3(C[C@H]2C)CC[NH+](C(C)C)CC3)C1 ZINC001086938516 1359260861 /nfs/dbraw/zinc/26/08/61/1359260861.db2.gz SLSYEAGHGMLALQ-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086942723 1359264093 /nfs/dbraw/zinc/26/40/93/1359264093.db2.gz YYDXXESQKRDKAO-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001087246437 1359329773 /nfs/dbraw/zinc/32/97/73/1359329773.db2.gz PMKQOEWCGGZPQM-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C(C)(C)[C@H]21 ZINC001087312073 1359399958 /nfs/dbraw/zinc/39/99/58/1359399958.db2.gz YVSNRRXJWPWOSQ-QYZOEREBSA-N 2 1 349.563 3.122 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CCCC1CCC1 ZINC001087626108 1359562088 /nfs/dbraw/zinc/56/20/88/1359562088.db2.gz KIYQWAQKHQAUSP-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CCCC1CCC1 ZINC001087626108 1359562091 /nfs/dbraw/zinc/56/20/91/1359562091.db2.gz KIYQWAQKHQAUSP-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CCCC1CCC1 ZINC001087626108 1359562094 /nfs/dbraw/zinc/56/20/94/1359562094.db2.gz KIYQWAQKHQAUSP-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CCCC1CCC1 ZINC001087626108 1359562096 /nfs/dbraw/zinc/56/20/96/1359562096.db2.gz KIYQWAQKHQAUSP-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCCC3)[C@@H]2CC)C1 ZINC001087696749 1359597098 /nfs/dbraw/zinc/59/70/98/1359597098.db2.gz LDKLCOJGWOPQQF-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CCCC3)[C@@H]2CC)C1 ZINC001087696749 1359597101 /nfs/dbraw/zinc/59/71/01/1359597101.db2.gz LDKLCOJGWOPQQF-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)[C@@H]2CC)C1 ZINC001087696749 1359597103 /nfs/dbraw/zinc/59/71/03/1359597103.db2.gz LDKLCOJGWOPQQF-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@H+]1CCC1CCCC1 ZINC001087726173 1359613571 /nfs/dbraw/zinc/61/35/71/1359613571.db2.gz UMLHCEZGRITHPZ-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC[NH+]1CCC1CCCC1 ZINC001087726173 1359613573 /nfs/dbraw/zinc/61/35/73/1359613573.db2.gz UMLHCEZGRITHPZ-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC[NH+]1CCC1CCCC1 ZINC001087726173 1359613577 /nfs/dbraw/zinc/61/35/77/1359613577.db2.gz UMLHCEZGRITHPZ-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC[N@H+]1CC=C(C)C ZINC001087749626 1359626303 /nfs/dbraw/zinc/62/63/03/1359626303.db2.gz RWWXBIHMXAXHFC-GBESFXJTSA-N 2 1 335.536 3.186 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC[N@H+]1CC1CCC1 ZINC001087749474 1359626927 /nfs/dbraw/zinc/62/69/27/1359626927.db2.gz MVEJNWZGUJIPFC-IPMKNSEASA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC[NH+]1CC1CCC1 ZINC001087749474 1359626930 /nfs/dbraw/zinc/62/69/30/1359626930.db2.gz MVEJNWZGUJIPFC-IPMKNSEASA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC[NH+]1CC1CCC1 ZINC001087749474 1359626932 /nfs/dbraw/zinc/62/69/32/1359626932.db2.gz MVEJNWZGUJIPFC-IPMKNSEASA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CCC1CCCC1 ZINC001087773898 1359636665 /nfs/dbraw/zinc/63/66/65/1359636665.db2.gz OBZMDUBISJNQDQ-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC1CCCCCC1 ZINC001087799170 1359651087 /nfs/dbraw/zinc/65/10/87/1359651087.db2.gz GVJFTBVOTGIMFR-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCCC[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001088382227 1359865456 /nfs/dbraw/zinc/86/54/56/1359865456.db2.gz XBDBKAXJJFZODG-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N2CCCCC[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001088424939 1359893701 /nfs/dbraw/zinc/89/37/01/1359893701.db2.gz JPLKVKXNXURCSN-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)[C@@H]1C ZINC001088563844 1359974493 /nfs/dbraw/zinc/97/44/93/1359974493.db2.gz IXHMNHAVVSAUSW-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)[C@@H]1C ZINC001088563844 1359974494 /nfs/dbraw/zinc/97/44/94/1359974494.db2.gz IXHMNHAVVSAUSW-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)[C@@H]1C ZINC001088563844 1359974497 /nfs/dbraw/zinc/97/44/97/1359974497.db2.gz IXHMNHAVVSAUSW-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569506 1359976863 /nfs/dbraw/zinc/97/68/63/1359976863.db2.gz XEQQYDDXGZTDLR-AOIWGVFYSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569506 1359976865 /nfs/dbraw/zinc/97/68/65/1359976865.db2.gz XEQQYDDXGZTDLR-AOIWGVFYSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569506 1359976868 /nfs/dbraw/zinc/97/68/68/1359976868.db2.gz XEQQYDDXGZTDLR-AOIWGVFYSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)[C@@H]1C ZINC001088605593 1359989046 /nfs/dbraw/zinc/98/90/46/1359989046.db2.gz XPCJISHXWWLHFQ-YZGWKJHDSA-N 2 1 347.547 3.330 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)[C@@H]1C ZINC001088605593 1359989049 /nfs/dbraw/zinc/98/90/49/1359989049.db2.gz XPCJISHXWWLHFQ-YZGWKJHDSA-N 2 1 347.547 3.330 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)[C@@H]1C ZINC001088605593 1359989050 /nfs/dbraw/zinc/98/90/50/1359989050.db2.gz XPCJISHXWWLHFQ-YZGWKJHDSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1CCC(C)(C)C ZINC001088622218 1359993796 /nfs/dbraw/zinc/99/37/96/1359993796.db2.gz LYOWRLVMEWPFDP-NEWSRXKRSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1CCC(C)(C)C ZINC001088622218 1359993798 /nfs/dbraw/zinc/99/37/98/1359993798.db2.gz LYOWRLVMEWPFDP-NEWSRXKRSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1CCC(C)(C)C ZINC001088622218 1359993800 /nfs/dbraw/zinc/99/38/00/1359993800.db2.gz LYOWRLVMEWPFDP-NEWSRXKRSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1CC1CCCC1 ZINC001089058863 1360152558 /nfs/dbraw/zinc/15/25/58/1360152558.db2.gz MYEFFPZICVIAKK-UZLBHIALSA-N 2 1 343.515 3.131 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)[C@@H]1C ZINC001089061092 1360152770 /nfs/dbraw/zinc/15/27/70/1360152770.db2.gz XSJIRPKYILQCOX-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)[C@@H]1C ZINC001089061092 1360152773 /nfs/dbraw/zinc/15/27/73/1360152773.db2.gz XSJIRPKYILQCOX-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)[C@@H]1C ZINC001089061092 1360152774 /nfs/dbraw/zinc/15/27/74/1360152774.db2.gz XSJIRPKYILQCOX-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC2CC(C)(C)C2)CC[N@H+]1C ZINC001089181580 1360230971 /nfs/dbraw/zinc/23/09/71/1360230971.db2.gz VNBDUAGZMRXBSS-NZSAHSFTSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[N@H+](C)CC2CC(C)(C)C2)CC[NH+]1C ZINC001089181580 1360230974 /nfs/dbraw/zinc/23/09/74/1360230974.db2.gz VNBDUAGZMRXBSS-NZSAHSFTSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CC(C)(C)C2)CC[NH+]1C ZINC001089181580 1360230976 /nfs/dbraw/zinc/23/09/76/1360230976.db2.gz VNBDUAGZMRXBSS-NZSAHSFTSA-N 2 1 349.563 3.076 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001089215848 1360261056 /nfs/dbraw/zinc/26/10/56/1360261056.db2.gz ZOUZQTAMXWUPIH-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001089215848 1360261059 /nfs/dbraw/zinc/26/10/59/1360261059.db2.gz ZOUZQTAMXWUPIH-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001089215848 1360261062 /nfs/dbraw/zinc/26/10/62/1360261062.db2.gz ZOUZQTAMXWUPIH-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089407083 1360405256 /nfs/dbraw/zinc/40/52/56/1360405256.db2.gz VUDPTZUVYYMBNT-MJGOQNOKSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089407083 1360405259 /nfs/dbraw/zinc/40/52/59/1360405259.db2.gz VUDPTZUVYYMBNT-MJGOQNOKSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089407083 1360405262 /nfs/dbraw/zinc/40/52/62/1360405262.db2.gz VUDPTZUVYYMBNT-MJGOQNOKSA-N 2 1 349.563 3.409 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CC[N@H+](C(C)C)CC(C)(C)C2)ccc2c[nH+]cn21 ZINC001089426183 1360419096 /nfs/dbraw/zinc/41/90/96/1360419096.db2.gz HZPPAQGRWWZERB-MRXNPFEDSA-N 2 1 342.487 3.272 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC(C)(C)C1 ZINC001089517839 1360487116 /nfs/dbraw/zinc/48/71/16/1360487116.db2.gz VWZILIMYSNPZHN-LJQANCHMSA-N 2 1 345.531 3.377 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC3)CC(C)(C)C2)CC1 ZINC001089534045 1360493617 /nfs/dbraw/zinc/49/36/17/1360493617.db2.gz NGYXAQKROVIPFX-IBGZPJMESA-N 2 1 349.563 3.124 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CCCC1 ZINC001089617371 1360537226 /nfs/dbraw/zinc/53/72/26/1360537226.db2.gz ZUSPKTFUYMCFKS-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC1CCCC1 ZINC001089617371 1360537228 /nfs/dbraw/zinc/53/72/28/1360537228.db2.gz ZUSPKTFUYMCFKS-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC1CCCC1 ZINC001089617371 1360537229 /nfs/dbraw/zinc/53/72/29/1360537229.db2.gz ZUSPKTFUYMCFKS-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCCC1CCC1 ZINC001089617111 1360537458 /nfs/dbraw/zinc/53/74/58/1360537458.db2.gz UNIVZSFFRZVJGO-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCC1CCC1 ZINC001089617111 1360537461 /nfs/dbraw/zinc/53/74/61/1360537461.db2.gz UNIVZSFFRZVJGO-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCC1CCC1 ZINC001089617111 1360537464 /nfs/dbraw/zinc/53/74/64/1360537464.db2.gz UNIVZSFFRZVJGO-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001089649091 1360562104 /nfs/dbraw/zinc/56/21/04/1360562104.db2.gz AJWZSILVHGQVRT-RTBURBONSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001089649091 1360562109 /nfs/dbraw/zinc/56/21/09/1360562109.db2.gz AJWZSILVHGQVRT-RTBURBONSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001089649091 1360562110 /nfs/dbraw/zinc/56/21/10/1360562110.db2.gz AJWZSILVHGQVRT-RTBURBONSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089650133 1360563568 /nfs/dbraw/zinc/56/35/68/1360563568.db2.gz VNCDKSZXFAWCDI-IRXDYDNUSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089650133 1360563570 /nfs/dbraw/zinc/56/35/70/1360563570.db2.gz VNCDKSZXFAWCDI-IRXDYDNUSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[NH+](CCCC(C)(C)C)C3)C2)CC[N@H+]1C ZINC001323856601 1387475546 /nfs/dbraw/zinc/47/55/46/1387475546.db2.gz CEZCNBAKSPKFNY-OPYAIIAOSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[N@H+](CCCC(C)(C)C)C3)C2)CC[NH+]1C ZINC001323856601 1387475550 /nfs/dbraw/zinc/47/55/50/1387475550.db2.gz CEZCNBAKSPKFNY-OPYAIIAOSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CCCC(C)(C)C)C3)C2)CC[NH+]1C ZINC001323856601 1387475553 /nfs/dbraw/zinc/47/55/53/1387475553.db2.gz CEZCNBAKSPKFNY-OPYAIIAOSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001091111938 1360993540 /nfs/dbraw/zinc/99/35/40/1360993540.db2.gz FVOFFXBPHAVIEK-MHJFOBGBSA-N 2 1 347.547 3.092 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071534 1361288350 /nfs/dbraw/zinc/28/83/50/1361288350.db2.gz ZLRPHYFFVOXXNJ-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918632 1361487172 /nfs/dbraw/zinc/48/71/72/1361487172.db2.gz JHNFTUXCRINYEG-NVXWUHKLSA-N 2 1 349.519 3.075 20 0 EGADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001093836057 1361704162 /nfs/dbraw/zinc/70/41/62/1361704162.db2.gz UQQZQFXKKGOHBS-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CC1CCCCCC1 ZINC001094040060 1361728242 /nfs/dbraw/zinc/72/82/42/1361728242.db2.gz AZYPHAWUDHTZPD-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094528993 1361845572 /nfs/dbraw/zinc/84/55/72/1361845572.db2.gz FJOQNWPGVYGCCL-QKNQBKEWSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094528993 1361845574 /nfs/dbraw/zinc/84/55/74/1361845574.db2.gz FJOQNWPGVYGCCL-QKNQBKEWSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094528993 1361845579 /nfs/dbraw/zinc/84/55/79/1361845579.db2.gz FJOQNWPGVYGCCL-QKNQBKEWSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001095498751 1362157731 /nfs/dbraw/zinc/15/77/31/1362157731.db2.gz CPOZOEFGYBDFFJ-YDZRNGNQSA-N 2 1 347.547 3.019 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1 ZINC001095498751 1362157735 /nfs/dbraw/zinc/15/77/35/1362157735.db2.gz CPOZOEFGYBDFFJ-YDZRNGNQSA-N 2 1 347.547 3.019 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1 ZINC001095498751 1362157737 /nfs/dbraw/zinc/15/77/37/1362157737.db2.gz CPOZOEFGYBDFFJ-YDZRNGNQSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C[NH2+]CC1CC1 ZINC001184891256 1387556084 /nfs/dbraw/zinc/55/60/84/1387556084.db2.gz CRBLDCKDTUFWSH-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001097163690 1362871249 /nfs/dbraw/zinc/87/12/49/1362871249.db2.gz IOESDHZRSAIFMR-SVGFKBNWSA-N 2 1 349.544 3.191 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001097163690 1362871253 /nfs/dbraw/zinc/87/12/53/1362871253.db2.gz IOESDHZRSAIFMR-SVGFKBNWSA-N 2 1 349.544 3.191 20 0 EGADMP CCc1ccc(C[NH+]2CCC(C)(NC(=O)CC[N@H+](C)CC)CC2)cc1 ZINC001324339490 1387597926 /nfs/dbraw/zinc/59/79/26/1387597926.db2.gz GXHBADIBVDXZLC-UHFFFAOYSA-N 2 1 345.531 3.062 20 0 EGADMP Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(C)C)ccc2c[nH+]cn21 ZINC001097395021 1362969412 /nfs/dbraw/zinc/96/94/12/1362969412.db2.gz JHCUCOXTOSKTPA-LZQZEXGQSA-N 2 1 340.471 3.024 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001097848230 1363140970 /nfs/dbraw/zinc/14/09/70/1363140970.db2.gz NEXBJMHXQWNFLP-AFYVEPGGSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001097848230 1363140972 /nfs/dbraw/zinc/14/09/72/1363140972.db2.gz NEXBJMHXQWNFLP-AFYVEPGGSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001097848230 1363140976 /nfs/dbraw/zinc/14/09/76/1363140976.db2.gz NEXBJMHXQWNFLP-AFYVEPGGSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001185119922 1387623041 /nfs/dbraw/zinc/62/30/41/1387623041.db2.gz MHVQATVTIFTJCZ-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185171477 1387632414 /nfs/dbraw/zinc/63/24/14/1387632414.db2.gz WHWOQAHMOZFPPE-KAGICYHLSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001099054414 1363597054 /nfs/dbraw/zinc/59/70/54/1363597054.db2.gz BEECQBDWQFGNQC-PXNSSMCTSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001099054414 1363597058 /nfs/dbraw/zinc/59/70/58/1363597058.db2.gz BEECQBDWQFGNQC-PXNSSMCTSA-N 2 1 346.519 3.023 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001099081247 1363612914 /nfs/dbraw/zinc/61/29/14/1363612914.db2.gz ZHYZMGADFPZVAU-WUYYXPQKSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001099081247 1363612917 /nfs/dbraw/zinc/61/29/17/1363612917.db2.gz ZHYZMGADFPZVAU-WUYYXPQKSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001099081247 1363612918 /nfs/dbraw/zinc/61/29/18/1363612918.db2.gz ZHYZMGADFPZVAU-WUYYXPQKSA-N 2 1 349.563 3.290 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115274 1363631179 /nfs/dbraw/zinc/63/11/79/1363631179.db2.gz DENOUBHCVMTNQL-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001099115274 1363631181 /nfs/dbraw/zinc/63/11/81/1363631181.db2.gz DENOUBHCVMTNQL-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001099115274 1363631186 /nfs/dbraw/zinc/63/11/86/1363631186.db2.gz DENOUBHCVMTNQL-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099164503 1363665338 /nfs/dbraw/zinc/66/53/38/1363665338.db2.gz DYRFBEREYARHCM-KRWDZBQOSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCF)[NH+](CC)CC ZINC001099228880 1363701922 /nfs/dbraw/zinc/70/19/22/1363701922.db2.gz CLROUXDCTLSRBB-DLBZAZTESA-N 2 1 343.531 3.073 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccccc1)[NH+](C)C ZINC001099239411 1363708292 /nfs/dbraw/zinc/70/82/92/1363708292.db2.gz DFNBKMDHNNZMQQ-MOPGFXCFSA-N 2 1 345.531 3.134 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](CC)CC ZINC001099276799 1363728168 /nfs/dbraw/zinc/72/81/68/1363728168.db2.gz XTGXOPIZZCKNDD-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099311279 1363744875 /nfs/dbraw/zinc/74/48/75/1363744875.db2.gz ZKRBVLWZPWGXJO-OXUXSNCKSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001099311279 1363744879 /nfs/dbraw/zinc/74/48/79/1363744879.db2.gz ZKRBVLWZPWGXJO-OXUXSNCKSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001099311279 1363744880 /nfs/dbraw/zinc/74/48/80/1363744880.db2.gz ZKRBVLWZPWGXJO-OXUXSNCKSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1C/C=C/Cl ZINC001099320234 1363747548 /nfs/dbraw/zinc/74/75/48/1363747548.db2.gz HRUVEGOBXMYULC-DHINHOHASA-N 2 1 343.943 3.078 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1C/C=C/Cl ZINC001099320234 1363747550 /nfs/dbraw/zinc/74/75/50/1363747550.db2.gz HRUVEGOBXMYULC-DHINHOHASA-N 2 1 343.943 3.078 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1C/C=C/Cl ZINC001099320234 1363747553 /nfs/dbraw/zinc/74/75/53/1363747553.db2.gz HRUVEGOBXMYULC-DHINHOHASA-N 2 1 343.943 3.078 20 0 EGADMP CC1(C)CC[C@H](CNC(=O)C[NH+]2CCCC2)[N@@H+](CC2=CCCCC2)C1 ZINC001099339340 1363759528 /nfs/dbraw/zinc/75/95/28/1363759528.db2.gz HBCVKRZQTZMSJT-LJQANCHMSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001100405857 1364103962 /nfs/dbraw/zinc/10/39/62/1364103962.db2.gz PXXSREYEIMLEJV-KVZIAJEVSA-N 2 1 349.563 3.170 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001100405680 1364103971 /nfs/dbraw/zinc/10/39/71/1364103971.db2.gz IMGMLDSHLPLGHU-SOAGJPPSSA-N 2 1 349.563 3.314 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001100406645 1364104236 /nfs/dbraw/zinc/10/42/36/1364104236.db2.gz GNARMFXUYBJXGG-JSEXARSYSA-N 2 1 349.563 3.480 20 0 EGADMP CC/C=C\CC[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001100406721 1364104294 /nfs/dbraw/zinc/10/42/94/1364104294.db2.gz KJOHPSIVGGKKBS-JVSUKQCGSA-N 2 1 335.536 3.090 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001100419536 1364108286 /nfs/dbraw/zinc/10/82/86/1364108286.db2.gz WINVFHHQKZAWLJ-MZCYRKOTSA-N 2 1 335.536 3.092 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001100456982 1364120584 /nfs/dbraw/zinc/12/05/84/1364120584.db2.gz LXRPWODNDTWGSR-SYJJWHGVSA-N 2 1 349.494 3.101 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCC1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001100677033 1364214250 /nfs/dbraw/zinc/21/42/50/1364214250.db2.gz WSLGUBJHKOPIDP-IVMQYODDSA-N 2 1 349.563 3.172 20 0 EGADMP C[N@@H+](CC(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1)CC(C)(C)C ZINC001100681722 1364216242 /nfs/dbraw/zinc/21/62/42/1364216242.db2.gz QYNABAOPMCTEDB-UHFFFAOYSA-N 2 1 339.568 3.275 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001100721229 1364234949 /nfs/dbraw/zinc/23/49/49/1364234949.db2.gz ILHMXDOSVYOQAD-SREVYHEPSA-N 2 1 346.519 3.237 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001100721660 1364234992 /nfs/dbraw/zinc/23/49/92/1364234992.db2.gz WEGURCGONKZHGZ-WWDZGPRUSA-N 2 1 348.535 3.173 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC1CC([NH2+]CCCC2CCC2)C1 ZINC001100757701 1364248287 /nfs/dbraw/zinc/24/82/87/1364248287.db2.gz FWOSSMCXAIXQDL-UHFFFAOYSA-N 2 1 346.519 3.036 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC([NH2+]CCCCCF)C1 ZINC001100764865 1364251738 /nfs/dbraw/zinc/25/17/38/1364251738.db2.gz JITFKZCHWWFOSE-UHFFFAOYSA-N 2 1 343.531 3.123 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001100904973 1364324450 /nfs/dbraw/zinc/32/44/50/1364324450.db2.gz PWXNLVCQBLHKGD-VIQWUECVSA-N 2 1 345.531 3.191 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464319 1364573130 /nfs/dbraw/zinc/57/31/30/1364573130.db2.gz CGQDSOZVTLGXPE-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001101521874 1364596869 /nfs/dbraw/zinc/59/68/69/1364596869.db2.gz FDNUBDCFZRVDKB-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](CC(=O)N1CCC(C(C)(C)C[NH2+]CCC2CC2)CC1)C1CCC1 ZINC001101547444 1364611538 /nfs/dbraw/zinc/61/15/38/1364611538.db2.gz AQCQBNVJRQJKBL-UHFFFAOYSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001101582162 1364634267 /nfs/dbraw/zinc/63/42/67/1364634267.db2.gz BMRLTBVMHQKIRR-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001101591414 1364642220 /nfs/dbraw/zinc/64/22/20/1364642220.db2.gz ZAQGNJCTFOPORS-UHFFFAOYSA-N 2 1 339.568 3.373 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046039 1364822695 /nfs/dbraw/zinc/82/26/95/1364822695.db2.gz JCNSFKWBOOZZDX-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051875 1364823288 /nfs/dbraw/zinc/82/32/88/1364823288.db2.gz RDMOJZZTYQFCAM-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102051875 1364823289 /nfs/dbraw/zinc/82/32/89/1364823289.db2.gz RDMOJZZTYQFCAM-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102051875 1364823295 /nfs/dbraw/zinc/82/32/95/1364823295.db2.gz RDMOJZZTYQFCAM-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](C)C1 ZINC001102264692 1364976325 /nfs/dbraw/zinc/97/63/25/1364976325.db2.gz WAHKQQADKLCZDU-PFRNKHFKSA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001102264692 1364976327 /nfs/dbraw/zinc/97/63/27/1364976327.db2.gz WAHKQQADKLCZDU-PFRNKHFKSA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001102264692 1364976333 /nfs/dbraw/zinc/97/63/33/1364976333.db2.gz WAHKQQADKLCZDU-PFRNKHFKSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102276600 1364981455 /nfs/dbraw/zinc/98/14/55/1364981455.db2.gz RJZHUWLTDMODKE-BSALYMGKSA-N 2 1 349.563 3.147 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102276600 1364981459 /nfs/dbraw/zinc/98/14/59/1364981459.db2.gz RJZHUWLTDMODKE-BSALYMGKSA-N 2 1 349.563 3.147 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102276600 1364981462 /nfs/dbraw/zinc/98/14/62/1364981462.db2.gz RJZHUWLTDMODKE-BSALYMGKSA-N 2 1 349.563 3.147 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419580 1365046315 /nfs/dbraw/zinc/04/63/15/1365046315.db2.gz MDLPETJAXHFJLN-SJLPKXTDSA-N 2 1 348.535 3.127 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419580 1365046318 /nfs/dbraw/zinc/04/63/18/1365046318.db2.gz MDLPETJAXHFJLN-SJLPKXTDSA-N 2 1 348.535 3.127 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102434079 1365052303 /nfs/dbraw/zinc/05/23/03/1365052303.db2.gz NNMXNRVNEJXXJP-CWHLKURSSA-N 2 1 349.563 3.149 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520385 1365097439 /nfs/dbraw/zinc/09/74/39/1365097439.db2.gz IJHFNQHLBSBDDU-QWFCFKBJSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596680 1365130296 /nfs/dbraw/zinc/13/02/96/1365130296.db2.gz SMCGOKGJSXFKGK-UYAOXDASSA-N 2 1 349.563 3.127 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103146622 1365408841 /nfs/dbraw/zinc/40/88/41/1365408841.db2.gz QDQMXJBJTDSQKZ-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001103146622 1365408842 /nfs/dbraw/zinc/40/88/42/1365408842.db2.gz QDQMXJBJTDSQKZ-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001103146622 1365408846 /nfs/dbraw/zinc/40/88/46/1365408846.db2.gz QDQMXJBJTDSQKZ-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001103368512 1365520724 /nfs/dbraw/zinc/52/07/24/1365520724.db2.gz ZFBGJJBPXAVMSM-FTVQKVBOSA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001103368512 1365520726 /nfs/dbraw/zinc/52/07/26/1365520726.db2.gz ZFBGJJBPXAVMSM-FTVQKVBOSA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001103368512 1365520730 /nfs/dbraw/zinc/52/07/30/1365520730.db2.gz ZFBGJJBPXAVMSM-FTVQKVBOSA-N 2 1 349.563 3.147 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001103434278 1365557409 /nfs/dbraw/zinc/55/74/09/1365557409.db2.gz XKCJVNMRUJNPOS-QWFCFKBJSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001103434278 1365557411 /nfs/dbraw/zinc/55/74/11/1365557411.db2.gz XKCJVNMRUJNPOS-QWFCFKBJSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001103434278 1365557413 /nfs/dbraw/zinc/55/74/13/1365557413.db2.gz XKCJVNMRUJNPOS-QWFCFKBJSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103435914 1365559013 /nfs/dbraw/zinc/55/90/13/1365559013.db2.gz DIPBPQIFAJVALX-AHSYYPKJSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001103435914 1365559014 /nfs/dbraw/zinc/55/90/14/1365559014.db2.gz DIPBPQIFAJVALX-AHSYYPKJSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001103435914 1365559015 /nfs/dbraw/zinc/55/90/15/1365559015.db2.gz DIPBPQIFAJVALX-AHSYYPKJSA-N 2 1 349.563 3.149 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103483804 1365590083 /nfs/dbraw/zinc/59/00/83/1365590083.db2.gz QKPAPAIIOZHXSN-RCCFBDPRSA-N 2 1 348.535 3.127 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103483804 1365590089 /nfs/dbraw/zinc/59/00/89/1365590089.db2.gz QKPAPAIIOZHXSN-RCCFBDPRSA-N 2 1 348.535 3.127 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001103495926 1365596808 /nfs/dbraw/zinc/59/68/08/1365596808.db2.gz ZNUXQTIVZHYRMF-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001103612381 1365676070 /nfs/dbraw/zinc/67/60/70/1365676070.db2.gz AWHTZINSDWSUCL-GUDVDZBRSA-N 2 1 339.568 3.085 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001103612381 1365676072 /nfs/dbraw/zinc/67/60/72/1365676072.db2.gz AWHTZINSDWSUCL-GUDVDZBRSA-N 2 1 339.568 3.085 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001103612381 1365676074 /nfs/dbraw/zinc/67/60/74/1365676074.db2.gz AWHTZINSDWSUCL-GUDVDZBRSA-N 2 1 339.568 3.085 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001103663471 1365711547 /nfs/dbraw/zinc/71/15/47/1365711547.db2.gz CRAYTSUXZOLDSI-IPMKNSEASA-N 2 1 339.568 3.085 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001103663471 1365711551 /nfs/dbraw/zinc/71/15/51/1365711551.db2.gz CRAYTSUXZOLDSI-IPMKNSEASA-N 2 1 339.568 3.085 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001103663471 1365711553 /nfs/dbraw/zinc/71/15/53/1365711553.db2.gz CRAYTSUXZOLDSI-IPMKNSEASA-N 2 1 339.568 3.085 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CCC1CCCCC1 ZINC001103999712 1365867663 /nfs/dbraw/zinc/86/76/63/1365867663.db2.gz IIIWWATUWNJTNN-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]CCCC1CCC1 ZINC001104676700 1366127217 /nfs/dbraw/zinc/12/72/17/1366127217.db2.gz UNHNPBQINWCPBT-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001105067301 1366304774 /nfs/dbraw/zinc/30/47/74/1366304774.db2.gz WAEJBQFSWMIFJO-UYAOXDASSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C2(C[NH2+]C(C)C)CCC2)CC[N@H+]1C ZINC001105539597 1366518698 /nfs/dbraw/zinc/51/86/98/1366518698.db2.gz LDAVDUGNCHUNKK-IPMKNSEASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001105541626 1366520040 /nfs/dbraw/zinc/52/00/40/1366520040.db2.gz GJPHOZLSULNFDG-GOSISDBHSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CC2)CCC1)C1CCC1 ZINC001105541997 1366520076 /nfs/dbraw/zinc/52/00/76/1366520076.db2.gz MYDQEZALMSVOQS-IBGZPJMESA-N 2 1 347.547 3.022 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@@H](C[NH2+]CC=C(C)C)[C@H](C)C1 ZINC001106150932 1366614699 /nfs/dbraw/zinc/61/46/99/1366614699.db2.gz IDTQYPWTUCBLBB-FGTMMUONSA-N 2 1 346.519 3.047 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106581427 1366742906 /nfs/dbraw/zinc/74/29/06/1366742906.db2.gz CHAQMUSVARZDMX-FYHBMDRXSA-N 2 1 349.563 3.147 20 0 EGADMP CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001107413360 1366956947 /nfs/dbraw/zinc/95/69/47/1366956947.db2.gz BZUCGTZYCZJYCO-SQGPQFPESA-N 2 1 346.519 3.167 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3CC)CCC[C@@H]12 ZINC001107413360 1366956949 /nfs/dbraw/zinc/95/69/49/1366956949.db2.gz BZUCGTZYCZJYCO-SQGPQFPESA-N 2 1 346.519 3.167 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189433337 1367021480 /nfs/dbraw/zinc/02/14/80/1367021480.db2.gz OPCCOTZDAWTIFL-RBUKOAKNSA-N 2 1 346.519 3.085 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189433337 1367021484 /nfs/dbraw/zinc/02/14/84/1367021484.db2.gz OPCCOTZDAWTIFL-RBUKOAKNSA-N 2 1 346.519 3.085 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109263720 1367032950 /nfs/dbraw/zinc/03/29/50/1367032950.db2.gz HGKBEZSLIUBUOL-FTVQKVBOSA-N 2 1 347.547 3.327 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109263720 1367032957 /nfs/dbraw/zinc/03/29/57/1367032957.db2.gz HGKBEZSLIUBUOL-FTVQKVBOSA-N 2 1 347.547 3.327 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001109263720 1367032961 /nfs/dbraw/zinc/03/29/61/1367032961.db2.gz HGKBEZSLIUBUOL-FTVQKVBOSA-N 2 1 347.547 3.327 20 0 EGADMP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCCC1)CC2)[NH+](C)C ZINC001107554538 1367039571 /nfs/dbraw/zinc/03/95/71/1367039571.db2.gz CDTLWQROTAYSPH-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001109290219 1367041222 /nfs/dbraw/zinc/04/12/22/1367041222.db2.gz ZJGBFPNDEXLWPN-PEHGNSNYSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633114 1367083864 /nfs/dbraw/zinc/08/38/64/1367083864.db2.gz KOTSXYKMJTXCIE-QKNQBKEWSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001109463928 1367137678 /nfs/dbraw/zinc/13/76/78/1367137678.db2.gz DGVRLCMIEWOWFJ-SQNIBIBYSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001109463928 1367137683 /nfs/dbraw/zinc/13/76/83/1367137683.db2.gz DGVRLCMIEWOWFJ-SQNIBIBYSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001109463928 1367137687 /nfs/dbraw/zinc/13/76/87/1367137687.db2.gz DGVRLCMIEWOWFJ-SQNIBIBYSA-N 2 1 335.536 3.019 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001109471942 1367143865 /nfs/dbraw/zinc/14/38/65/1367143865.db2.gz PWHRBSIWOQHBKO-SQNIBIBYSA-N 2 1 335.536 3.161 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109471942 1367143858 /nfs/dbraw/zinc/14/38/58/1367143858.db2.gz PWHRBSIWOQHBKO-SQNIBIBYSA-N 2 1 335.536 3.161 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001109471942 1367143863 /nfs/dbraw/zinc/14/38/63/1367143863.db2.gz PWHRBSIWOQHBKO-SQNIBIBYSA-N 2 1 335.536 3.161 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCCC2)CC1 ZINC001109650112 1367263547 /nfs/dbraw/zinc/26/35/47/1367263547.db2.gz SLSKGBJEHNFOIA-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001109714288 1367289559 /nfs/dbraw/zinc/28/95/59/1367289559.db2.gz FPUSKJCIOCCAGH-HCXYKTFWSA-N 2 1 337.552 3.409 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1)CC(C)(C)C ZINC001109728883 1367294457 /nfs/dbraw/zinc/29/44/57/1367294457.db2.gz IPEMXKMREMQUBX-QYZOEREBSA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1)CC(C)(C)C ZINC001109728883 1367294459 /nfs/dbraw/zinc/29/44/59/1367294459.db2.gz IPEMXKMREMQUBX-QYZOEREBSA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1)CC(C)(C)C ZINC001109728883 1367294464 /nfs/dbraw/zinc/29/44/64/1367294464.db2.gz IPEMXKMREMQUBX-QYZOEREBSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH+](C)CCC(C)(C)C)C1 ZINC001190656382 1367320291 /nfs/dbraw/zinc/32/02/91/1367320291.db2.gz STOQJVVLBVPUCF-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001190656382 1367320298 /nfs/dbraw/zinc/32/02/98/1367320298.db2.gz STOQJVVLBVPUCF-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001190656382 1367320303 /nfs/dbraw/zinc/32/03/03/1367320303.db2.gz STOQJVVLBVPUCF-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082509 1367420464 /nfs/dbraw/zinc/42/04/64/1367420464.db2.gz ZSAWUCGMVZEZLN-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191082509 1367420467 /nfs/dbraw/zinc/42/04/67/1367420467.db2.gz ZSAWUCGMVZEZLN-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191082509 1367420472 /nfs/dbraw/zinc/42/04/72/1367420472.db2.gz ZSAWUCGMVZEZLN-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CC1CC(C[N@@H+](C)[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001191542315 1367524604 /nfs/dbraw/zinc/52/46/04/1367524604.db2.gz GNCKUVNNMKMXQK-CTWPCTMYSA-N 2 1 349.563 3.077 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191543805 1367524784 /nfs/dbraw/zinc/52/47/84/1367524784.db2.gz SVPBYDXLJHNFGM-OVKVCFKUSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110151136 1367525993 /nfs/dbraw/zinc/52/59/93/1367525993.db2.gz QVFRZYYGIBHETA-QYZOEREBSA-N 2 1 335.536 3.164 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191550309 1367526636 /nfs/dbraw/zinc/52/66/36/1367526636.db2.gz BKUJURRKOGZPEU-IEBWSBKVSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@@H](C)C[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001191550309 1367526637 /nfs/dbraw/zinc/52/66/37/1367526637.db2.gz BKUJURRKOGZPEU-IEBWSBKVSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@@H](C)C[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001191550309 1367526638 /nfs/dbraw/zinc/52/66/38/1367526638.db2.gz BKUJURRKOGZPEU-IEBWSBKVSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153752 1367527814 /nfs/dbraw/zinc/52/78/14/1367527814.db2.gz JQFSJOYLEPYJKX-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160299 1367532449 /nfs/dbraw/zinc/53/24/49/1367532449.db2.gz IXMTYQVTBUDBGR-FUMNGEBKSA-N 2 1 343.515 3.057 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160299 1367532452 /nfs/dbraw/zinc/53/24/52/1367532452.db2.gz IXMTYQVTBUDBGR-FUMNGEBKSA-N 2 1 343.515 3.057 20 0 EGADMP CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001108733775 1367565148 /nfs/dbraw/zinc/56/51/48/1367565148.db2.gz GTEHBBUGLPNTSN-NSHGMRRFSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001191921350 1367639525 /nfs/dbraw/zinc/63/95/25/1367639525.db2.gz ARNPMZAVWUEVQU-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001191921350 1367639528 /nfs/dbraw/zinc/63/95/28/1367639528.db2.gz ARNPMZAVWUEVQU-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001191921350 1367639533 /nfs/dbraw/zinc/63/95/33/1367639533.db2.gz ARNPMZAVWUEVQU-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH+](C)CCC(C)(C)C)C2)C1 ZINC001191923103 1367641195 /nfs/dbraw/zinc/64/11/95/1367641195.db2.gz QNJHVYQDCCEXPO-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCC(C)(C)C)C2)C1 ZINC001191923103 1367641198 /nfs/dbraw/zinc/64/11/98/1367641198.db2.gz QNJHVYQDCCEXPO-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCC(C)(C)C)C2)C1 ZINC001191923103 1367641202 /nfs/dbraw/zinc/64/12/02/1367641202.db2.gz QNJHVYQDCCEXPO-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191986805 1367655728 /nfs/dbraw/zinc/65/57/28/1367655728.db2.gz BVNOFUSGCZVBJJ-LKGOPFMKSA-N 2 1 347.503 3.234 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045253 1367673601 /nfs/dbraw/zinc/67/36/01/1367673601.db2.gz BCLLVMTWSWREDI-OALUTQOASA-N 2 1 349.494 3.151 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192398335 1367773853 /nfs/dbraw/zinc/77/38/53/1367773853.db2.gz ORDDEOORXRYXPI-HJCTWCACSA-N 2 1 337.552 3.243 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192398335 1367773858 /nfs/dbraw/zinc/77/38/58/1367773858.db2.gz ORDDEOORXRYXPI-HJCTWCACSA-N 2 1 337.552 3.243 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192398335 1367773861 /nfs/dbraw/zinc/77/38/61/1367773861.db2.gz ORDDEOORXRYXPI-HJCTWCACSA-N 2 1 337.552 3.243 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)OC(C)C)CC1)CC(C)C ZINC001192490840 1367795800 /nfs/dbraw/zinc/79/58/00/1367795800.db2.gz UCAQOKAIYKCRND-UHFFFAOYSA-N 2 1 326.525 3.408 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192672165 1367846373 /nfs/dbraw/zinc/84/63/73/1367846373.db2.gz ULCYPFJXONVLIK-RTBURBONSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192672165 1367846375 /nfs/dbraw/zinc/84/63/75/1367846375.db2.gz ULCYPFJXONVLIK-RTBURBONSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192672165 1367846379 /nfs/dbraw/zinc/84/63/79/1367846379.db2.gz ULCYPFJXONVLIK-RTBURBONSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192845430 1367886562 /nfs/dbraw/zinc/88/65/62/1367886562.db2.gz ICBJIVAJQCJURE-HXUWFJFHSA-N 2 1 345.531 3.475 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192848886 1367887954 /nfs/dbraw/zinc/88/79/54/1367887954.db2.gz YFUMCLBDQFQSAI-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)C[C@@H](C)CC)C1 ZINC001192904497 1367900022 /nfs/dbraw/zinc/90/00/22/1367900022.db2.gz AGGKDQRLQSHFTA-ROUUACIJSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC001192904497 1367900027 /nfs/dbraw/zinc/90/00/27/1367900027.db2.gz AGGKDQRLQSHFTA-ROUUACIJSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)C[C@@H](C)CC)C1 ZINC001192904497 1367900032 /nfs/dbraw/zinc/90/00/32/1367900032.db2.gz AGGKDQRLQSHFTA-ROUUACIJSA-N 2 1 325.541 3.077 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110661503 1367903779 /nfs/dbraw/zinc/90/37/79/1367903779.db2.gz VTJASIWYVFNGHO-WTGUMLROSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001110661503 1367903782 /nfs/dbraw/zinc/90/37/82/1367903782.db2.gz VTJASIWYVFNGHO-WTGUMLROSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001110661503 1367903785 /nfs/dbraw/zinc/90/37/85/1367903785.db2.gz VTJASIWYVFNGHO-WTGUMLROSA-N 2 1 349.563 3.122 20 0 EGADMP CC[C@@H]1C[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@H]1O ZINC001193000309 1367920342 /nfs/dbraw/zinc/92/03/42/1367920342.db2.gz BOROACNQTYMHRC-NHCUHLMSSA-N 2 1 330.516 3.034 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCCC1)[NH+](C)C ZINC001110716100 1367944954 /nfs/dbraw/zinc/94/49/54/1367944954.db2.gz LPLLLHYPUWQJLG-WTGUMLROSA-N 2 1 349.563 3.409 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193382041 1368016357 /nfs/dbraw/zinc/01/63/57/1368016357.db2.gz FKNKOXZOQLAFEJ-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@H]([NH+](C)CC2CCC2)C1)c1ccccc1 ZINC001193424603 1368027229 /nfs/dbraw/zinc/02/72/29/1368027229.db2.gz NXBDFIBANYWFRP-PMACEKPBSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCC2)C1)c1ccccc1 ZINC001193424603 1368027235 /nfs/dbraw/zinc/02/72/35/1368027235.db2.gz NXBDFIBANYWFRP-PMACEKPBSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCC2)C1)c1ccccc1 ZINC001193424603 1368027236 /nfs/dbraw/zinc/02/72/36/1368027236.db2.gz NXBDFIBANYWFRP-PMACEKPBSA-N 2 1 343.515 3.012 20 0 EGADMP Cc1ccc(C)c(C[N@H+](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001193560254 1368061168 /nfs/dbraw/zinc/06/11/68/1368061168.db2.gz PLICVINXUZSQKC-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@@H](CC)c2ccc(F)cc2)C1 ZINC001193639553 1368081434 /nfs/dbraw/zinc/08/14/34/1368081434.db2.gz AUENHYCFFBQOKX-OALUTQOASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)[C@@H](CC)c2ccc(F)cc2)C1 ZINC001193639553 1368081438 /nfs/dbraw/zinc/08/14/38/1368081438.db2.gz AUENHYCFFBQOKX-OALUTQOASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](CC)c2ccc(F)cc2)C1 ZINC001193639553 1368081439 /nfs/dbraw/zinc/08/14/39/1368081439.db2.gz AUENHYCFFBQOKX-OALUTQOASA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111028820 1368145083 /nfs/dbraw/zinc/14/50/83/1368145083.db2.gz SBGVPMSHJXOKOY-KURKYZTESA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001111028820 1368145085 /nfs/dbraw/zinc/14/50/85/1368145085.db2.gz SBGVPMSHJXOKOY-KURKYZTESA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111028820 1368145087 /nfs/dbraw/zinc/14/50/87/1368145087.db2.gz SBGVPMSHJXOKOY-KURKYZTESA-N 2 1 337.552 3.122 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111028736 1368145355 /nfs/dbraw/zinc/14/53/55/1368145355.db2.gz OFVLAXMIDGVBQW-WFJGZTCRSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001111028736 1368145358 /nfs/dbraw/zinc/14/53/58/1368145358.db2.gz OFVLAXMIDGVBQW-WFJGZTCRSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111028736 1368145359 /nfs/dbraw/zinc/14/53/59/1368145359.db2.gz OFVLAXMIDGVBQW-WFJGZTCRSA-N 2 1 335.536 3.042 20 0 EGADMP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001111101036 1368157756 /nfs/dbraw/zinc/15/77/56/1368157756.db2.gz IUOMKYNWOSDXNO-MLHJIOFPSA-N 2 1 346.519 3.164 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001111101036 1368157759 /nfs/dbraw/zinc/15/77/59/1368157759.db2.gz IUOMKYNWOSDXNO-MLHJIOFPSA-N 2 1 346.519 3.164 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)C ZINC001111160229 1368170116 /nfs/dbraw/zinc/17/01/16/1368170116.db2.gz LSAFGFOJUZDOSO-QRVBRYPASA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)C ZINC001111160229 1368170121 /nfs/dbraw/zinc/17/01/21/1368170121.db2.gz LSAFGFOJUZDOSO-QRVBRYPASA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001111160229 1368170124 /nfs/dbraw/zinc/17/01/24/1368170124.db2.gz LSAFGFOJUZDOSO-QRVBRYPASA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111165533 1368176039 /nfs/dbraw/zinc/17/60/39/1368176039.db2.gz MWOBADSPNFSJRQ-ZRNYENFQSA-N 2 1 343.515 3.201 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001111169335 1368179725 /nfs/dbraw/zinc/17/97/25/1368179725.db2.gz OJLRABUCYFMSOW-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227262 1368212953 /nfs/dbraw/zinc/21/29/53/1368212953.db2.gz IUGMPLWDDDNOJD-FQEVSTJZSA-N 2 1 345.531 3.475 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246535 1368216644 /nfs/dbraw/zinc/21/66/44/1368216644.db2.gz OGLDYXDJKXYWCD-LIXSYLKWSA-N 2 1 343.515 3.251 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001194275374 1368222771 /nfs/dbraw/zinc/22/27/71/1368222771.db2.gz SAVODAOCCNEZHE-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001111307610 1368262271 /nfs/dbraw/zinc/26/22/71/1368262271.db2.gz NENXPJXVYDFCEK-AQNXPRMDSA-N 2 1 347.547 3.330 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1=CCCCC1 ZINC001111307610 1368262276 /nfs/dbraw/zinc/26/22/76/1368262276.db2.gz NENXPJXVYDFCEK-AQNXPRMDSA-N 2 1 347.547 3.330 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1=CCCCC1 ZINC001111307610 1368262280 /nfs/dbraw/zinc/26/22/80/1368262280.db2.gz NENXPJXVYDFCEK-AQNXPRMDSA-N 2 1 347.547 3.330 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001111417061 1368303543 /nfs/dbraw/zinc/30/35/43/1368303543.db2.gz XEDUYKLJURYILM-AQNXPRMDSA-N 2 1 347.547 3.164 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001111740738 1368437880 /nfs/dbraw/zinc/43/78/80/1368437880.db2.gz LWZUMTCSQLRYRX-ZJOUEHCJSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001111740738 1368437885 /nfs/dbraw/zinc/43/78/85/1368437885.db2.gz LWZUMTCSQLRYRX-ZJOUEHCJSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001111740738 1368437889 /nfs/dbraw/zinc/43/78/89/1368437889.db2.gz LWZUMTCSQLRYRX-ZJOUEHCJSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001111777204 1368456988 /nfs/dbraw/zinc/45/69/88/1368456988.db2.gz SZPYBGGUEJRDIE-ZJOUEHCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001111777204 1368456990 /nfs/dbraw/zinc/45/69/90/1368456990.db2.gz SZPYBGGUEJRDIE-ZJOUEHCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001111777204 1368456993 /nfs/dbraw/zinc/45/69/93/1368456993.db2.gz SZPYBGGUEJRDIE-ZJOUEHCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCCCC1)C2)C1CCC1 ZINC001111778554 1368457157 /nfs/dbraw/zinc/45/71/57/1368457157.db2.gz DMELFTPGPRFOLS-RXVVDRJESA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCCC1)C2)C1CCC1 ZINC001111778554 1368457159 /nfs/dbraw/zinc/45/71/59/1368457159.db2.gz DMELFTPGPRFOLS-RXVVDRJESA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCCCC1)C2)[NH+](C)C ZINC001111789070 1368462498 /nfs/dbraw/zinc/46/24/98/1368462498.db2.gz WEARHUXTJRBCLS-ZVDOUQERSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001111807921 1368473092 /nfs/dbraw/zinc/47/30/92/1368473092.db2.gz NDEAFISEOGAINS-PXNSSMCTSA-N 2 1 340.471 3.109 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001111835190 1368490369 /nfs/dbraw/zinc/49/03/69/1368490369.db2.gz AXJMODYQMQDTPS-WHGMVNQHSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001111835190 1368490372 /nfs/dbraw/zinc/49/03/72/1368490372.db2.gz AXJMODYQMQDTPS-WHGMVNQHSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001111835190 1368490373 /nfs/dbraw/zinc/49/03/73/1368490373.db2.gz AXJMODYQMQDTPS-WHGMVNQHSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001111835190 1368490376 /nfs/dbraw/zinc/49/03/76/1368490376.db2.gz AXJMODYQMQDTPS-WHGMVNQHSA-N 2 1 347.547 3.188 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCC1)C2 ZINC001111903815 1368547484 /nfs/dbraw/zinc/54/74/84/1368547484.db2.gz RBYIFHATLAWAIB-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCC1)C2 ZINC001111903815 1368547490 /nfs/dbraw/zinc/54/74/90/1368547490.db2.gz RBYIFHATLAWAIB-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCC1)C2 ZINC001111903815 1368547494 /nfs/dbraw/zinc/54/74/94/1368547494.db2.gz RBYIFHATLAWAIB-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001111915282 1368556073 /nfs/dbraw/zinc/55/60/73/1368556073.db2.gz WSRUAOMDYZUCAQ-GVZHBMFQSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196164233 1368561173 /nfs/dbraw/zinc/56/11/73/1368561173.db2.gz ZFDWKMCOUKWTGD-IBGZPJMESA-N 2 1 335.536 3.118 20 0 EGADMP CCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001196164233 1368561177 /nfs/dbraw/zinc/56/11/77/1368561177.db2.gz ZFDWKMCOUKWTGD-IBGZPJMESA-N 2 1 335.536 3.118 20 0 EGADMP CCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001196164233 1368561181 /nfs/dbraw/zinc/56/11/81/1368561181.db2.gz ZFDWKMCOUKWTGD-IBGZPJMESA-N 2 1 335.536 3.118 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001196200459 1368566897 /nfs/dbraw/zinc/56/68/97/1368566897.db2.gz KHLGATVAMCNXJN-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001196200459 1368566901 /nfs/dbraw/zinc/56/69/01/1368566901.db2.gz KHLGATVAMCNXJN-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001196200459 1368566903 /nfs/dbraw/zinc/56/69/03/1368566903.db2.gz KHLGATVAMCNXJN-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001196201318 1368567279 /nfs/dbraw/zinc/56/72/79/1368567279.db2.gz YETPXCZIXDUFBE-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001196201318 1368567281 /nfs/dbraw/zinc/56/72/81/1368567281.db2.gz YETPXCZIXDUFBE-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001196201318 1368567285 /nfs/dbraw/zinc/56/72/85/1368567285.db2.gz YETPXCZIXDUFBE-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947617 1368570442 /nfs/dbraw/zinc/57/04/42/1368570442.db2.gz RPNUYXFBHNPCOP-YZKSSJSGSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC(C)(C)C)C2 ZINC001111947576 1368570659 /nfs/dbraw/zinc/57/06/59/1368570659.db2.gz PMNBWQHGFWIEMW-PXNSSMCTSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+](CC2CCC3(CC3)CC2)CC1 ZINC001196339559 1368592309 /nfs/dbraw/zinc/59/23/09/1368592309.db2.gz ADWFTZHENUKACS-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+](CC2CCC3(CC3)CC2)CC1 ZINC001196339559 1368592312 /nfs/dbraw/zinc/59/23/12/1368592312.db2.gz ADWFTZHENUKACS-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCCN([C@H](C)c2ccc(F)cc2)CC1 ZINC001196339591 1368592504 /nfs/dbraw/zinc/59/25/04/1368592504.db2.gz AOXNXWSRZOTMIV-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001196339591 1368592511 /nfs/dbraw/zinc/59/25/11/1368592511.db2.gz AOXNXWSRZOTMIV-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001196339591 1368592513 /nfs/dbraw/zinc/59/25/13/1368592513.db2.gz AOXNXWSRZOTMIV-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001196339591 1368592522 /nfs/dbraw/zinc/59/25/22/1368592522.db2.gz AOXNXWSRZOTMIV-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+]([C@H](C)c2ccccc2)CC1 ZINC001196340798 1368592959 /nfs/dbraw/zinc/59/29/59/1368592959.db2.gz KAWMCZGPGKHHAY-QGZVFWFLSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+]([C@H](C)c2ccccc2)CC1 ZINC001196340798 1368592960 /nfs/dbraw/zinc/59/29/60/1368592960.db2.gz KAWMCZGPGKHHAY-QGZVFWFLSA-N 2 1 331.504 3.012 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004471 1368608243 /nfs/dbraw/zinc/60/82/43/1368608243.db2.gz DPQYOBOFPQAXRR-AJEASFTHSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001197886005 1368919873 /nfs/dbraw/zinc/91/98/73/1368919873.db2.gz NKXRDACUSXJIBU-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CCC)C2 ZINC001112567777 1368931042 /nfs/dbraw/zinc/93/10/42/1368931042.db2.gz HQNIWYNXILRUEZ-ICSRJNTNSA-N 2 1 337.552 3.127 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[NH+](CC2CCCCC2)CC1)C1CCCCC1 ZINC001113156431 1369233124 /nfs/dbraw/zinc/23/31/24/1369233124.db2.gz FLCZUSMKTLNSRO-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@H](C(=O)N1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1)[NH+](CC)CC ZINC001113341070 1369359141 /nfs/dbraw/zinc/35/91/41/1369359141.db2.gz JIOGUKZCQOQTQR-AZUAARDMSA-N 2 1 345.531 3.321 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC([NH2+]CCCC(C)C)CC1 ZINC001200643624 1369404803 /nfs/dbraw/zinc/40/48/03/1369404803.db2.gz FGWYXOHTKAOGEZ-KRWDZBQOSA-N 2 1 348.535 3.413 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](CCCC2CCC2)CC1)C(C)C ZINC001113441435 1369431251 /nfs/dbraw/zinc/43/12/51/1369431251.db2.gz AQOXVPIRDZLJKD-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001200838553 1369436837 /nfs/dbraw/zinc/43/68/37/1369436837.db2.gz UHOBWOCJWWEEHU-COPCDDAFSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001200838553 1369436839 /nfs/dbraw/zinc/43/68/39/1369436839.db2.gz UHOBWOCJWWEEHU-COPCDDAFSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001200838553 1369436842 /nfs/dbraw/zinc/43/68/42/1369436842.db2.gz UHOBWOCJWWEEHU-COPCDDAFSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001200838553 1369436845 /nfs/dbraw/zinc/43/68/45/1369436845.db2.gz UHOBWOCJWWEEHU-COPCDDAFSA-N 2 1 341.543 3.361 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001201313524 1369516200 /nfs/dbraw/zinc/51/62/00/1369516200.db2.gz CDTMECGTHRKXMP-OAHLLOKOSA-N 2 1 349.494 3.198 20 0 EGADMP CN1CC[NH+](Cc2ccccc2Nc2cccc(C[NH+](C)C)c2)CC1 ZINC001201397309 1369536215 /nfs/dbraw/zinc/53/62/15/1369536215.db2.gz ZJQQRKAEPVEGBE-UHFFFAOYSA-N 2 1 338.499 3.239 20 0 EGADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](CC(C)(C)C)CC3)C2)c1 ZINC001201435942 1369545234 /nfs/dbraw/zinc/54/52/34/1369545234.db2.gz YLAVIZNJPMZEGC-UHFFFAOYSA-N 2 1 346.515 3.408 20 0 EGADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](CC(C)(C)C)CC3)C2)c1 ZINC001201435942 1369545240 /nfs/dbraw/zinc/54/52/40/1369545240.db2.gz YLAVIZNJPMZEGC-UHFFFAOYSA-N 2 1 346.515 3.408 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001201502341 1369558740 /nfs/dbraw/zinc/55/87/40/1369558740.db2.gz HPOHVZHVZRCKHA-QUCCMNQESA-N 2 1 345.531 3.431 20 0 EGADMP CCCC[C@H](CC)C[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001201561309 1369576416 /nfs/dbraw/zinc/57/64/16/1369576416.db2.gz ZQCVYKFDCPIBOG-SFHVURJKSA-N 2 1 347.547 3.027 20 0 EGADMP CC/C=C/CC[NH+]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001113716992 1369583764 /nfs/dbraw/zinc/58/37/64/1369583764.db2.gz MFZVJIKSPVPKEL-BQYQJAHWSA-N 2 1 347.503 3.236 20 0 EGADMP CSCCC[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001201689390 1369606355 /nfs/dbraw/zinc/60/63/55/1369606355.db2.gz YREVJKQQHFVENV-UHFFFAOYSA-N 2 1 345.512 3.418 20 0 EGADMP CSCCC[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001201689390 1369606357 /nfs/dbraw/zinc/60/63/57/1369606357.db2.gz YREVJKQQHFVENV-UHFFFAOYSA-N 2 1 345.512 3.418 20 0 EGADMP CSCCC[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001201689390 1369606360 /nfs/dbraw/zinc/60/63/60/1369606360.db2.gz YREVJKQQHFVENV-UHFFFAOYSA-N 2 1 345.512 3.418 20 0 EGADMP CSCCC[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001201689390 1369606361 /nfs/dbraw/zinc/60/63/61/1369606361.db2.gz YREVJKQQHFVENV-UHFFFAOYSA-N 2 1 345.512 3.418 20 0 EGADMP c1ccc(C[NH+]2CCC3(CCC[N@H+](C[C@@H]4CCOC4)C3)CC2)cc1 ZINC001202528757 1369800300 /nfs/dbraw/zinc/80/03/00/1369800300.db2.gz FMAJDVCUQVTKBT-FQEVSTJZSA-N 2 1 328.500 3.401 20 0 EGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001202656454 1369839720 /nfs/dbraw/zinc/83/97/20/1369839720.db2.gz VWMZNBPQKBLATE-ULQDDVLXSA-N 2 1 341.540 3.390 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001202656454 1369839725 /nfs/dbraw/zinc/83/97/25/1369839725.db2.gz VWMZNBPQKBLATE-ULQDDVLXSA-N 2 1 341.540 3.390 20 0 EGADMP CC(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001202763478 1369882827 /nfs/dbraw/zinc/88/28/27/1369882827.db2.gz FNGWVKMHGUAGOE-LJQANCHMSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001202863797 1369910822 /nfs/dbraw/zinc/91/08/22/1369910822.db2.gz NAPVMCGNUVDVSD-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC([NH2+]CCC(C)C)CC1 ZINC001202973276 1369942792 /nfs/dbraw/zinc/94/27/92/1369942792.db2.gz DJUOOHBLMDLIJU-UHFFFAOYSA-N 2 1 325.541 3.125 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)C12CCC2)C1CCC1 ZINC001203026986 1369959116 /nfs/dbraw/zinc/95/91/16/1369959116.db2.gz BGBGMBOIUJAXJO-RTBURBONSA-N 2 1 347.547 3.068 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2)C1CCC1 ZINC001203035992 1369962626 /nfs/dbraw/zinc/96/26/26/1369962626.db2.gz IRHJVWYHRUTJKO-QZTJIDSGSA-N 2 1 349.563 3.314 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CCCC2)C12CCC2)C1CCC1 ZINC001203044576 1369965323 /nfs/dbraw/zinc/96/53/23/1369965323.db2.gz MTYNZYLWGUVTQO-RBUKOAKNSA-N 2 1 347.547 3.068 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114502582 1369977428 /nfs/dbraw/zinc/97/74/28/1369977428.db2.gz XXXZGUGXZUMWKD-BWTSREIZSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001114502582 1369977434 /nfs/dbraw/zinc/97/74/34/1369977434.db2.gz XXXZGUGXZUMWKD-BWTSREIZSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001114502582 1369977438 /nfs/dbraw/zinc/97/74/38/1369977438.db2.gz XXXZGUGXZUMWKD-BWTSREIZSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203105360 1369985273 /nfs/dbraw/zinc/98/52/73/1369985273.db2.gz XHOZBQMIZTUDLE-IRXDYDNUSA-N 2 1 337.552 3.314 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccc5nonc54)C[C@@H]3C2)cc1 ZINC001203130123 1369992248 /nfs/dbraw/zinc/99/22/48/1369992248.db2.gz NZXDFSNNNPSAQS-OALUTQOASA-N 2 1 348.450 3.095 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]Cc2c(C)cc(C)cc2C)CC1 ZINC001203437183 1370126739 /nfs/dbraw/zinc/12/67/39/1370126739.db2.gz DZMBVGFLDLBLJG-UHFFFAOYSA-N 2 1 345.531 3.034 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+][C@H](CC)c2ccccc2)CC1 ZINC001203442762 1370128769 /nfs/dbraw/zinc/12/87/69/1370128769.db2.gz NPHZJDGKUNLXFC-LJQANCHMSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203453024 1370132400 /nfs/dbraw/zinc/13/24/00/1370132400.db2.gz QQSAOAGOHZPFBH-IAGOWNOFSA-N 2 1 346.519 3.070 20 0 EGADMP CCOc1ccccc1CN1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001203537485 1370160310 /nfs/dbraw/zinc/16/03/10/1370160310.db2.gz VXAWOLGPVRENLW-BGYRXZFFSA-N 2 1 337.467 3.044 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203576549 1370176680 /nfs/dbraw/zinc/17/66/80/1370176680.db2.gz FYXKCMXHUGXSEE-IAGOWNOFSA-N 2 1 337.552 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001203903830 1370307790 /nfs/dbraw/zinc/30/77/90/1370307790.db2.gz OTDLBMAGBQEMFX-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H]([NH2+]C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC001203933116 1370320175 /nfs/dbraw/zinc/32/01/75/1370320175.db2.gz UMTXGFCYNMYKKQ-LJQANCHMSA-N 2 1 331.504 3.059 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc[nH]1)CC2 ZINC001204007595 1370345139 /nfs/dbraw/zinc/34/51/39/1370345139.db2.gz YEUPMPMAIJIBOR-FQEVSTJZSA-N 2 1 339.483 3.270 20 0 EGADMP Cc1ccsc1C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001204019374 1370349684 /nfs/dbraw/zinc/34/96/84/1370349684.db2.gz DEEBHHGQEPIXEQ-IEBWSBKVSA-N 2 1 334.529 3.237 20 0 EGADMP Cc1ccsc1C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001204019374 1370349691 /nfs/dbraw/zinc/34/96/91/1370349691.db2.gz DEEBHHGQEPIXEQ-IEBWSBKVSA-N 2 1 334.529 3.237 20 0 EGADMP Cc1ccsc1C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001204019374 1370349696 /nfs/dbraw/zinc/34/96/96/1370349696.db2.gz DEEBHHGQEPIXEQ-IEBWSBKVSA-N 2 1 334.529 3.237 20 0 EGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC001204161709 1370394992 /nfs/dbraw/zinc/39/49/92/1370394992.db2.gz HZRNFQPXWKVGBI-UHFFFAOYSA-N 2 1 341.377 3.335 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001115338588 1370395334 /nfs/dbraw/zinc/39/53/34/1370395334.db2.gz ODPMSQMNPOVWSU-NXEFXDMPSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC001204262953 1370425634 /nfs/dbraw/zinc/42/56/34/1370425634.db2.gz CDZDFALROIJJPA-HXUWFJFHSA-N 2 1 332.488 3.020 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC001204266984 1370426800 /nfs/dbraw/zinc/42/68/00/1370426800.db2.gz CERGXOVHDCCGAU-HXUWFJFHSA-N 2 1 339.483 3.402 20 0 EGADMP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5c(c4)CCO5)C[C@H]3C2)c1 ZINC001204489237 1370490405 /nfs/dbraw/zinc/49/04/05/1370490405.db2.gz JEOAWQHKWWVACP-ROUUACIJSA-N 2 1 340.492 3.247 20 0 EGADMP c1ccc(CC2CC[NH+](Cc3nc4c(s3)C[NH2+]CC4)CC2)cc1 ZINC001204604143 1370529081 /nfs/dbraw/zinc/52/90/81/1370529081.db2.gz BKQJRMSVHYELTE-UHFFFAOYSA-N 2 1 327.497 3.244 20 0 EGADMP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCCC1 ZINC001115545205 1370541710 /nfs/dbraw/zinc/54/17/10/1370541710.db2.gz WYDBWDXOHMDOEV-FGTMMUONSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CCCCC1 ZINC001115545154 1370542068 /nfs/dbraw/zinc/54/20/68/1370542068.db2.gz UAOPIXIWUQRBOT-INIZCTEOSA-N 2 1 334.508 3.215 20 0 EGADMP COC(=O)c1cc(Cl)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204743073 1370561719 /nfs/dbraw/zinc/56/17/19/1370561719.db2.gz ZZRGHLFJHNANLM-UHFFFAOYSA-N 2 1 336.863 3.092 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]C[C@H](C)CC)CCCCC1 ZINC001115563126 1370563031 /nfs/dbraw/zinc/56/30/31/1370563031.db2.gz QULBIMDRZAGVID-QZTJIDSGSA-N 2 1 337.552 3.316 20 0 EGADMP CC[C@H](C)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579337 1370582793 /nfs/dbraw/zinc/58/27/93/1370582793.db2.gz IPQQCZHRNKSEBL-ROUUACIJSA-N 2 1 337.552 3.316 20 0 EGADMP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001115591715 1370592304 /nfs/dbraw/zinc/59/23/04/1370592304.db2.gz AZTRXHHIRVZYOU-MOPGFXCFSA-N 2 1 347.547 3.212 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]CCCC(C)C)CCCCC1 ZINC001115630669 1370624033 /nfs/dbraw/zinc/62/40/33/1370624033.db2.gz UJFWXOIHCHECAN-UHFFFAOYSA-N 2 1 334.508 3.036 20 0 EGADMP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692068 1370673273 /nfs/dbraw/zinc/67/32/73/1370673273.db2.gz GHRLVZMIZGPFLF-BZSNNMDCSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205219272 1370685442 /nfs/dbraw/zinc/68/54/42/1370685442.db2.gz BNQPFGPFJTUKIK-HXUWFJFHSA-N 2 1 329.488 3.141 20 0 EGADMP COc1ccccc1-c1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205221175 1370686398 /nfs/dbraw/zinc/68/63/98/1370686398.db2.gz QMNSBRJPPPIUQT-NRFANRHFSA-N 2 1 340.467 3.038 20 0 EGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2nc3cc(Br)ccc3o2)CC1 ZINC001205296653 1370710751 /nfs/dbraw/zinc/71/07/51/1370710751.db2.gz SBIHGDALOAVLKN-OAHLLOKOSA-N 2 1 338.249 3.294 20 0 EGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2nc3cc(Br)ccc3o2)CC1 ZINC001205296653 1370710757 /nfs/dbraw/zinc/71/07/57/1370710757.db2.gz SBIHGDALOAVLKN-OAHLLOKOSA-N 2 1 338.249 3.294 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115729727 1370711768 /nfs/dbraw/zinc/71/17/68/1370711768.db2.gz QJUJMWDMVCYPJL-QGZVFWFLSA-N 2 1 337.552 3.173 20 0 EGADMP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001205420547 1370749415 /nfs/dbraw/zinc/74/94/15/1370749415.db2.gz ZMNDRPSQTIXLQB-YJJPMGAVSA-N 2 1 349.563 3.435 20 0 EGADMP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001115768846 1370753244 /nfs/dbraw/zinc/75/32/44/1370753244.db2.gz JXFOLRLVXCBTCX-RBUKOAKNSA-N 2 1 347.547 3.212 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205519088 1370778338 /nfs/dbraw/zinc/77/83/38/1370778338.db2.gz UWDLMCVPXGJZMT-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(-n3cccn3)cc2Cl)CC1 ZINC001205582357 1370799589 /nfs/dbraw/zinc/79/95/89/1370799589.db2.gz XOGRGZNDRBMXLO-KRWDZBQOSA-N 2 1 336.842 3.179 20 0 EGADMP CC(C)=CC[NH2+]CC1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001205585638 1370801084 /nfs/dbraw/zinc/80/10/84/1370801084.db2.gz JJRYAIQRASPUPF-UHFFFAOYSA-N 2 1 349.563 3.434 20 0 EGADMP Cc1cc(Br)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1O ZINC001205591254 1370802962 /nfs/dbraw/zinc/80/29/62/1370802962.db2.gz IPWVRMQQIZTUJW-HNNXBMFYSA-N 2 1 345.256 3.116 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2csc(-c3ccc(O)cc3)n2)CC1 ZINC001205592802 1370803965 /nfs/dbraw/zinc/80/39/65/1370803965.db2.gz YPJMDFMWQYXOAX-QGZVFWFLSA-N 2 1 335.448 3.169 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC[C@@H]1C[NH3+] ZINC001205616560 1370811886 /nfs/dbraw/zinc/81/18/86/1370811886.db2.gz GDGQYKLTHFGTOL-VXGBXAGGSA-N 2 1 340.393 3.389 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205618265 1370813287 /nfs/dbraw/zinc/81/32/87/1370813287.db2.gz TYOUOTVRFKYJGB-STQMWFEESA-N 2 1 346.393 3.401 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cc(Cl)ncc2Br)CC[C@@H]1C[NH3+] ZINC001205627200 1370816472 /nfs/dbraw/zinc/81/64/72/1370816472.db2.gz NTHZDXDWEMDQKS-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1OC(F)(F)F ZINC001205628332 1370817642 /nfs/dbraw/zinc/81/76/42/1370817642.db2.gz VCPXXHSRDNJXPM-TZMCWYRMSA-N 2 1 346.393 3.401 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CC[C@H]1C[NH3+] ZINC001205654199 1370829936 /nfs/dbraw/zinc/82/99/36/1370829936.db2.gz WRGHXXNJONKIGM-ZBFHGGJFSA-N 2 1 332.879 3.333 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cncc(Br)c2Cl)CC[C@H]1C[NH3+] ZINC001205663263 1370833963 /nfs/dbraw/zinc/83/39/63/1370833963.db2.gz GUZGRDBVBZRNLH-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cncc(Br)c2Cl)CC[C@H]1C[NH3+] ZINC001205663263 1370833969 /nfs/dbraw/zinc/83/39/69/1370833969.db2.gz GUZGRDBVBZRNLH-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP CCCC[NH2+]CC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001205761127 1370862499 /nfs/dbraw/zinc/86/24/99/1370862499.db2.gz BINCAFZYIXZTMU-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)ccc21 ZINC001326006678 1388100481 /nfs/dbraw/zinc/10/04/81/1388100481.db2.gz GKFVGNFEQCOTLA-LJQANCHMSA-N 2 1 347.422 3.069 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c2c(OC)cccc12 ZINC001205901039 1370904925 /nfs/dbraw/zinc/90/49/25/1370904925.db2.gz ATWZIJJCZNBBBV-HUUCEWRRSA-N 2 1 328.456 3.416 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cn1 ZINC001205922901 1370911824 /nfs/dbraw/zinc/91/18/24/1370911824.db2.gz DBDPNSLUVITBMJ-FUHWJXTLSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(OCc2ccccc2)cn1 ZINC001205922901 1370911829 /nfs/dbraw/zinc/91/18/29/1370911829.db2.gz DBDPNSLUVITBMJ-FUHWJXTLSA-N 2 1 325.456 3.220 20 0 EGADMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1OC ZINC001205992526 1370932026 /nfs/dbraw/zinc/93/20/26/1370932026.db2.gz DZSIQZGMXLNCLN-OLZOCXBDSA-N 2 1 326.868 3.164 20 0 EGADMP C[C@H]1C[N@H+](Cc2cnc(Br)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206002888 1370934648 /nfs/dbraw/zinc/93/46/48/1370934648.db2.gz CGXYKFXGPUSOQA-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cnc(Br)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206002888 1370934651 /nfs/dbraw/zinc/93/46/51/1370934651.db2.gz CGXYKFXGPUSOQA-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP CC(C)Oc1ncc(Cl)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206012090 1370937731 /nfs/dbraw/zinc/93/77/31/1370937731.db2.gz ITRDKSSIVLYWQN-KGLIPLIRSA-N 2 1 325.884 3.329 20 0 EGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)cc21 ZINC001206027946 1370942117 /nfs/dbraw/zinc/94/21/17/1370942117.db2.gz XJWFAFLYYVUJHY-VQIMIIECSA-N 3 1 327.516 3.495 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1OC(F)(F)F ZINC001206037363 1370945879 /nfs/dbraw/zinc/94/58/79/1370945879.db2.gz VEAJHXABDNJPMV-GXTWGEPZSA-N 2 1 346.393 3.401 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C[C@H]1C ZINC001206110310 1370961519 /nfs/dbraw/zinc/96/15/19/1370961519.db2.gz SUIUJVCXYKLJKP-HZPDHXFCSA-N 2 1 341.503 3.064 20 0 EGADMP [NH3+][C@H]1CC[N@H+](CCCc2cccc(Br)c2)CC[C@H]1F ZINC001206155463 1370974766 /nfs/dbraw/zinc/97/47/66/1370974766.db2.gz LSGQJIATVFFRER-CABCVRRESA-N 2 1 329.257 3.143 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](CCCc2cccc(Br)c2)CC[C@H]1F ZINC001206155463 1370974771 /nfs/dbraw/zinc/97/47/71/1370974771.db2.gz LSGQJIATVFFRER-CABCVRRESA-N 2 1 329.257 3.143 20 0 EGADMP COc1ccc(-c2ncc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)s2)cc1 ZINC001206172880 1370979644 /nfs/dbraw/zinc/97/96/44/1370979644.db2.gz CIQFPSDMMKUONO-JKSUJKDBSA-N 2 1 335.448 3.080 20 0 EGADMP COc1ccc(-c2ncc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)s2)cc1 ZINC001206172880 1370979648 /nfs/dbraw/zinc/97/96/48/1370979648.db2.gz CIQFPSDMMKUONO-JKSUJKDBSA-N 2 1 335.448 3.080 20 0 EGADMP COc1ccc(-c2cccc(C[N@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)n2)cc1 ZINC001206175449 1370981130 /nfs/dbraw/zinc/98/11/30/1370981130.db2.gz VKKRABIZOPBMKE-MSOLQXFVSA-N 2 1 329.419 3.018 20 0 EGADMP COc1ccc(-c2cccc(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)n2)cc1 ZINC001206175449 1370981136 /nfs/dbraw/zinc/98/11/36/1370981136.db2.gz VKKRABIZOPBMKE-MSOLQXFVSA-N 2 1 329.419 3.018 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)CC[C@@H]1F ZINC001206183114 1370984914 /nfs/dbraw/zinc/98/49/14/1370984914.db2.gz FTUJGSDBFONEOA-STQMWFEESA-N 2 1 338.320 3.185 20 0 EGADMP COC(=O)c1cccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001116881638 1370994738 /nfs/dbraw/zinc/99/47/38/1370994738.db2.gz WGUMMFYFWCAXMT-IBGZPJMESA-N 2 1 338.451 3.085 20 0 EGADMP Cc1cc(Br)cnc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206318294 1371020153 /nfs/dbraw/zinc/02/01/53/1371020153.db2.gz PADNEXDTQUVKFK-OAHLLOKOSA-N 2 1 326.282 3.103 20 0 EGADMP [NH3+]C[C@@]1(F)CCCCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001206335252 1371026775 /nfs/dbraw/zinc/02/67/75/1371026775.db2.gz DDWQXCJLRDUOBX-UXHICEINSA-N 2 1 333.495 3.052 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206481383 1371067969 /nfs/dbraw/zinc/06/79/69/1371067969.db2.gz GUBALXZAESFHHY-XJDXJNMNSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCC[NH2+]CC1 ZINC001206591619 1371102300 /nfs/dbraw/zinc/10/23/00/1371102300.db2.gz UELXBZJGPIYGDJ-CQSZACIVSA-N 2 1 326.387 3.361 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001206622390 1371111606 /nfs/dbraw/zinc/11/16/06/1371111606.db2.gz BBVCJHKCVNCVMM-GFCCVEGCSA-N 2 1 336.277 3.491 20 0 EGADMP COc1ccc(-c2ncc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)s2)cc1 ZINC001206622524 1371111810 /nfs/dbraw/zinc/11/18/10/1371111810.db2.gz DVGDBQNCHCFEBL-AWEZNQCLSA-N 2 1 331.485 3.380 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206632213 1371114816 /nfs/dbraw/zinc/11/48/16/1371114816.db2.gz HDRHPNXHFKJQSZ-LBPRGKRZSA-N 2 1 332.366 3.155 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206770421 1371159462 /nfs/dbraw/zinc/15/94/62/1371159462.db2.gz SARBSWQTPPRWHK-GJZGRUSLSA-N 2 1 343.471 3.212 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206770421 1371159463 /nfs/dbraw/zinc/15/94/63/1371159463.db2.gz SARBSWQTPPRWHK-GJZGRUSLSA-N 2 1 343.471 3.212 20 0 EGADMP O=c1[nH]cccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001207006363 1371264730 /nfs/dbraw/zinc/26/47/30/1371264730.db2.gz GORZFRASAHXPKX-UHFFFAOYSA-N 2 1 337.467 3.275 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1C ZINC001207008227 1371265326 /nfs/dbraw/zinc/26/53/26/1371265326.db2.gz VFEPNJTXOSBLOH-FGTMMUONSA-N 2 1 348.535 3.269 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001207008227 1371265328 /nfs/dbraw/zinc/26/53/28/1371265328.db2.gz VFEPNJTXOSBLOH-FGTMMUONSA-N 2 1 348.535 3.269 20 0 EGADMP c1[nH+]c(CN2CCCC3(C[NH+](Cc4ccccc4)C3)C2)n2ccccc12 ZINC001207054402 1371278406 /nfs/dbraw/zinc/27/84/06/1371278406.db2.gz LDRBPWGCLMGMRT-UHFFFAOYSA-N 2 1 346.478 3.432 20 0 EGADMP Cc1ncccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001207150062 1371311435 /nfs/dbraw/zinc/31/14/35/1371311435.db2.gz WFESYEMRFVAQON-UHFFFAOYSA-N 2 1 336.483 3.273 20 0 EGADMP CCOC(=O)CCC[N@H+](Cc1ccccc1)CC(C)(C)C[NH+](C)C ZINC001207283987 1371349862 /nfs/dbraw/zinc/34/98/62/1371349862.db2.gz GMOOHLPTYBSPHD-UHFFFAOYSA-N 2 1 334.504 3.420 20 0 EGADMP CCOC(=O)CCC[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+](C)C ZINC001207283987 1371349868 /nfs/dbraw/zinc/34/98/68/1371349868.db2.gz GMOOHLPTYBSPHD-UHFFFAOYSA-N 2 1 334.504 3.420 20 0 EGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC2(C1)OCCO2 ZINC001207294946 1371354052 /nfs/dbraw/zinc/35/40/52/1371354052.db2.gz WZGGDMJFRQYTIM-FQEVSTJZSA-N 2 1 344.499 3.126 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C[C@H]2CCCOC2)C3)cc1 ZINC001207469375 1371403816 /nfs/dbraw/zinc/40/38/16/1371403816.db2.gz KBQURZXRJJHUBE-RTWAWAEBSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C[C@H]2CCCOC2)C3)cc1 ZINC001207469375 1371403818 /nfs/dbraw/zinc/40/38/18/1371403818.db2.gz KBQURZXRJJHUBE-RTWAWAEBSA-N 2 1 328.500 3.401 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC001207486880 1371410746 /nfs/dbraw/zinc/41/07/46/1371410746.db2.gz ONZQOUQMMRDAQT-UHFFFAOYSA-N 2 1 333.495 3.065 20 0 EGADMP C[NH+]1CCC(CC[NH+]2CCN([C@@H]3CCCc4ccccc43)CC2)CC1 ZINC001207487756 1371411045 /nfs/dbraw/zinc/41/10/45/1371411045.db2.gz QLRGDQIRZOTDBT-JOCHJYFZSA-N 2 1 341.543 3.414 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001207541199 1371430316 /nfs/dbraw/zinc/43/03/16/1371430316.db2.gz YBWFCDRIPATWIL-FBYXPACISA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001207541199 1371430319 /nfs/dbraw/zinc/43/03/19/1371430319.db2.gz YBWFCDRIPATWIL-FBYXPACISA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001207541199 1371430320 /nfs/dbraw/zinc/43/03/20/1371430320.db2.gz YBWFCDRIPATWIL-FBYXPACISA-N 2 1 349.563 3.432 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCCCC1 ZINC001120140376 1371494353 /nfs/dbraw/zinc/49/43/53/1371494353.db2.gz DQOHAYDMKCPZTR-UHFFFAOYSA-N 2 1 334.508 3.036 20 0 EGADMP CCc1ccc(-c2noc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)n2)cc1 ZINC001326276993 1388140647 /nfs/dbraw/zinc/14/06/47/1388140647.db2.gz GSIGMRWVAADYQZ-UHFFFAOYSA-N 2 1 340.471 3.265 20 0 EGADMP CCC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CCCCC1 ZINC001120213272 1371506408 /nfs/dbraw/zinc/50/64/08/1371506408.db2.gz HTJJLLXAKDWLIS-GOSISDBHSA-N 2 1 331.504 3.108 20 0 EGADMP CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208049695 1371580303 /nfs/dbraw/zinc/58/03/03/1371580303.db2.gz QABIOFVYJZWPTK-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208049738 1371580484 /nfs/dbraw/zinc/58/04/84/1371580484.db2.gz QMMJIQYQKZQLFO-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](CC1(C)CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001208109564 1371597668 /nfs/dbraw/zinc/59/76/68/1371597668.db2.gz PAXKBOIGOSHBSX-HXUWFJFHSA-N 2 1 329.532 3.315 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208163534 1371614560 /nfs/dbraw/zinc/61/45/60/1371614560.db2.gz IVBMLDSCJJZAEF-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326310419 1388149673 /nfs/dbraw/zinc/14/96/73/1388149673.db2.gz FCUASCLFMDDRII-UHFFFAOYSA-N 2 1 325.456 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001208279090 1371696278 /nfs/dbraw/zinc/69/62/78/1371696278.db2.gz HLRXUDCYWIQQMS-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208334280 1371722249 /nfs/dbraw/zinc/72/22/49/1371722249.db2.gz HQSJZEUMTAERDX-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001208447153 1371769711 /nfs/dbraw/zinc/76/97/11/1371769711.db2.gz IXVREEVAFWLGGB-AEFFLSMTSA-N 2 1 331.504 3.059 20 0 EGADMP CCN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001208588399 1371830215 /nfs/dbraw/zinc/83/02/15/1371830215.db2.gz HSCNJQLBINBRTA-NRFANRHFSA-N 2 1 329.532 3.457 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208592853 1371830997 /nfs/dbraw/zinc/83/09/97/1371830997.db2.gz LLVZZGSGLFXBLJ-KRWDZBQOSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2cncc(Br)c2)CC1 ZINC001208596720 1371835018 /nfs/dbraw/zinc/83/50/18/1371835018.db2.gz WQGSPPIGFNNGAY-UHFFFAOYSA-N 2 1 326.282 3.008 20 0 EGADMP CC[N@@H+](CC1CC[NH+](CC)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001208598633 1371835390 /nfs/dbraw/zinc/83/53/90/1371835390.db2.gz VHCKEVKGNXPCDQ-NRFANRHFSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C(=O)OC)C[C@H]2c2ccccc2)CC1 ZINC001208602843 1371836113 /nfs/dbraw/zinc/83/61/13/1371836113.db2.gz OYZGDMCCOXJTHL-UXHICEINSA-N 2 1 344.499 3.345 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](C(=O)OC)C[C@H]2c2ccccc2)CC1 ZINC001208602842 1371836543 /nfs/dbraw/zinc/83/65/43/1371836543.db2.gz OYZGDMCCOXJTHL-PMACEKPBSA-N 2 1 344.499 3.345 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CC[C@]3(c4ccccc4OC3=O)C2(C)C)CC1 ZINC001208603019 1371837488 /nfs/dbraw/zinc/83/74/88/1371837488.db2.gz RSCHTONHFYXZEE-OAQYLSRUSA-N 2 1 342.483 3.060 20 0 EGADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001208615830 1371841569 /nfs/dbraw/zinc/84/15/69/1371841569.db2.gz IIPXZYLBIWXCRO-ULQDDVLXSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001208615830 1371841574 /nfs/dbraw/zinc/84/15/74/1371841574.db2.gz IIPXZYLBIWXCRO-ULQDDVLXSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001208615830 1371841576 /nfs/dbraw/zinc/84/15/76/1371841576.db2.gz IIPXZYLBIWXCRO-ULQDDVLXSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001208615830 1371841579 /nfs/dbraw/zinc/84/15/79/1371841579.db2.gz IIPXZYLBIWXCRO-ULQDDVLXSA-N 2 1 339.524 3.096 20 0 EGADMP CNC(=O)C[N@H+]1CCCC12CC[NH+](CC[C@@H](C)CC(C)(C)C)CC2 ZINC001208654554 1371853658 /nfs/dbraw/zinc/85/36/58/1371853658.db2.gz LUTGQNXNJOWHKU-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](CCC1CC1)C2 ZINC001208682256 1371859706 /nfs/dbraw/zinc/85/97/06/1371859706.db2.gz HTBYRHPJEJVNHK-UHFFFAOYSA-N 2 1 325.456 3.465 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](CCC1CC1)C2 ZINC001208682256 1371859709 /nfs/dbraw/zinc/85/97/09/1371859709.db2.gz HTBYRHPJEJVNHK-UHFFFAOYSA-N 2 1 325.456 3.465 20 0 EGADMP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](CCC1CC1)C2 ZINC001208682256 1371859713 /nfs/dbraw/zinc/85/97/13/1371859713.db2.gz HTBYRHPJEJVNHK-UHFFFAOYSA-N 2 1 325.456 3.465 20 0 EGADMP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](CCC1CC1)C2 ZINC001208682256 1371859723 /nfs/dbraw/zinc/85/97/23/1371859723.db2.gz HTBYRHPJEJVNHK-UHFFFAOYSA-N 2 1 325.456 3.465 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CCC(C)(C)C)C3)CC[N@H+]1C ZINC001121134034 1371862701 /nfs/dbraw/zinc/86/27/01/1371862701.db2.gz PIHMKLXMQIGDQR-KBMBEYODSA-N 2 1 349.563 3.170 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1C)[NH+](C)C ZINC001208699089 1371866535 /nfs/dbraw/zinc/86/65/35/1371866535.db2.gz LGMCLSQHDUJNRL-QRQLOZEOSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H](C[NH+]1CCC([NH+]2CCC(F)CC2)CC1)OCc1ccccc1 ZINC001208701244 1371867939 /nfs/dbraw/zinc/86/79/39/1371867939.db2.gz SWECMNIHYDUXNZ-KRWDZBQOSA-N 2 1 334.479 3.490 20 0 EGADMP CCCC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121234035 1371902911 /nfs/dbraw/zinc/90/29/11/1371902911.db2.gz VZEATXLHNRNMGB-WZXTXQKWSA-N 2 1 335.536 3.066 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001121294985 1371926536 /nfs/dbraw/zinc/92/65/36/1371926536.db2.gz KHGYOIYMDABKHR-YDXWLCMNSA-N 2 1 347.547 3.234 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC[C@@H]4CCCO[C@@H]4C3)C2)cc1 ZINC001208931028 1371951003 /nfs/dbraw/zinc/95/10/03/1371951003.db2.gz GYWZGWJPPDXAPX-PCCBWWKXSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC[C@@H]4CCCO[C@@H]4C3)C2)cc1 ZINC001208931028 1371951004 /nfs/dbraw/zinc/95/10/04/1371951004.db2.gz GYWZGWJPPDXAPX-PCCBWWKXSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CC[C@@H]4CCCO[C@@H]4C3)C2)cc1 ZINC001208931028 1371951008 /nfs/dbraw/zinc/95/10/08/1371951008.db2.gz GYWZGWJPPDXAPX-PCCBWWKXSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CC[C@@]4(C3)CCCOC4)C2)cc1 ZINC001208940051 1371953871 /nfs/dbraw/zinc/95/38/71/1371953871.db2.gz OEAZXZRZHYRNSK-NHCUHLMSSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CC[C@@]4(C3)CCCOC4)C2)cc1 ZINC001208940051 1371953874 /nfs/dbraw/zinc/95/38/74/1371953874.db2.gz OEAZXZRZHYRNSK-NHCUHLMSSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CC[C@@]4(C3)CCCOC4)C2)cc1 ZINC001208940051 1371953877 /nfs/dbraw/zinc/95/38/77/1371953877.db2.gz OEAZXZRZHYRNSK-NHCUHLMSSA-N 2 1 328.500 3.401 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208937111 1371954212 /nfs/dbraw/zinc/95/42/12/1371954212.db2.gz REXDHJQJXTVPQT-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208937111 1371954215 /nfs/dbraw/zinc/95/42/15/1371954215.db2.gz REXDHJQJXTVPQT-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)[C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208937111 1371954221 /nfs/dbraw/zinc/95/42/21/1371954221.db2.gz REXDHJQJXTVPQT-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP C[N@@H+](C1CC1)[C@H]1CCN(C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208942896 1371957037 /nfs/dbraw/zinc/95/70/37/1371957037.db2.gz JXMWGCLBYVHEIJ-CTNGQTDRSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+](C1CC1)[C@H]1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208942896 1371957039 /nfs/dbraw/zinc/95/70/39/1371957039.db2.gz JXMWGCLBYVHEIJ-CTNGQTDRSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+](C1CC1)[C@H]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208942896 1371957044 /nfs/dbraw/zinc/95/70/44/1371957044.db2.gz JXMWGCLBYVHEIJ-CTNGQTDRSA-N 2 1 327.516 3.067 20 0 EGADMP F[C@H]1CN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@H]1[NH+]1CCCC1 ZINC001208965437 1371965572 /nfs/dbraw/zinc/96/55/72/1371965572.db2.gz ZSGMEZLUDKORCL-PCCBWWKXSA-N 2 1 345.506 3.017 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209133476 1372009548 /nfs/dbraw/zinc/00/95/48/1372009548.db2.gz FDOFBKFBKZSKNN-AHSYYPKJSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001209250720 1372051365 /nfs/dbraw/zinc/05/13/65/1372051365.db2.gz IMVDPNTWYZTOFA-OXPKLIQGSA-N 2 1 335.536 3.044 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](CCOc4ccccc4)C[C@H]3C2)cc1 ZINC001209296911 1372062942 /nfs/dbraw/zinc/06/29/42/1372062942.db2.gz LHKBMZLIWKCCEH-SFTDATJTSA-N 2 1 336.479 3.438 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001121772501 1372076437 /nfs/dbraw/zinc/07/64/37/1372076437.db2.gz BTOVSTOVSWVGRC-IAAUGFHKSA-N 2 1 349.563 3.027 20 0 EGADMP COC1CCC(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CC1 ZINC001209394268 1372089653 /nfs/dbraw/zinc/08/96/53/1372089653.db2.gz YIMXBKPILTVTNY-SAGYGOJTSA-N 2 1 334.529 3.317 20 0 EGADMP CCN(CCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001209450771 1372109281 /nfs/dbraw/zinc/10/92/81/1372109281.db2.gz LJCVJQRMICJTEB-OAQYLSRUSA-N 2 1 329.532 3.459 20 0 EGADMP CN(CCC[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001209455044 1372110748 /nfs/dbraw/zinc/11/07/48/1372110748.db2.gz WUQGEFOJESZMFA-OAQYLSRUSA-N 2 1 329.532 3.459 20 0 EGADMP Cc1cccc2c(C[N@@H+]3C[C@H]4CN(Cc5ccccn5)C[C@H]4C3)c[nH]c21 ZINC001209483923 1372117435 /nfs/dbraw/zinc/11/74/35/1372117435.db2.gz CFGXMNZRAUTYQQ-KDURUIRLSA-N 2 1 346.478 3.435 20 0 EGADMP [NH3+]C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CCCCCC1 ZINC001121971822 1372139046 /nfs/dbraw/zinc/13/90/46/1372139046.db2.gz HKSVOQSTXXFDDG-IHPCNDPISA-N 2 1 347.547 3.007 20 0 EGADMP CC[NH+](CC)CCN1CC[NH+](Cc2cccc3[nH]cc(Cl)c32)CC1 ZINC001209653444 1372162137 /nfs/dbraw/zinc/16/21/37/1372162137.db2.gz UKIAPLAOHUSXEG-UHFFFAOYSA-N 2 1 348.922 3.281 20 0 EGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+](C)Cc1cccc(Br)c1 ZINC001209846179 1372211816 /nfs/dbraw/zinc/21/18/16/1372211816.db2.gz QWMNYMQHPGCYPG-RISCZKNCSA-N 2 1 347.247 3.372 20 0 EGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+](C)Cc1cccc(Br)c1 ZINC001209846179 1372211810 /nfs/dbraw/zinc/21/18/10/1372211810.db2.gz QWMNYMQHPGCYPG-RISCZKNCSA-N 2 1 347.247 3.372 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001209891219 1372223774 /nfs/dbraw/zinc/22/37/74/1372223774.db2.gz ATABBKAZXPUIBW-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209931908 1372234926 /nfs/dbraw/zinc/23/49/26/1372234926.db2.gz OAFQMQCANRMPHJ-QWNKOJSDSA-N 2 1 346.519 3.334 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001209951479 1372239903 /nfs/dbraw/zinc/23/99/03/1372239903.db2.gz LNAMVVLFLHZEFK-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP c1ccc(-c2ccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)nc2)cc1 ZINC001210262035 1372308246 /nfs/dbraw/zinc/30/82/46/1372308246.db2.gz OCQFTYZVVQYQEM-UHFFFAOYSA-N 2 1 331.423 3.297 20 0 EGADMP COc1ccc(F)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1Cl ZINC001210265335 1372309476 /nfs/dbraw/zinc/30/94/76/1372309476.db2.gz BSMODRHZEZUJKG-UHFFFAOYSA-N 2 1 336.798 3.036 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001210493738 1372366122 /nfs/dbraw/zinc/36/61/22/1372366122.db2.gz OPMUGTLYZQDQOU-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCC(C)C)C1)c1ccccc1 ZINC001210643870 1372398723 /nfs/dbraw/zinc/39/87/23/1372398723.db2.gz LYRYVUCTGXVSOJ-PMACEKPBSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001210783489 1372426092 /nfs/dbraw/zinc/42/60/92/1372426092.db2.gz TXDLOLQUYMGIJX-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001210788643 1372426779 /nfs/dbraw/zinc/42/67/79/1372426779.db2.gz HCLUFIHJUKWVHO-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001211256570 1372513694 /nfs/dbraw/zinc/51/36/94/1372513694.db2.gz JFFSVPSIZSFZFQ-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C)[NH+]1CCCCC1 ZINC001211367336 1372541603 /nfs/dbraw/zinc/54/16/03/1372541603.db2.gz QJUIZLRBQRSSQH-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cncc3ccccc32)no1 ZINC001212144830 1372663902 /nfs/dbraw/zinc/66/39/02/1372663902.db2.gz FFNBZFJJHGPCNX-KRWDZBQOSA-N 2 1 339.443 3.453 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001127066639 1373079861 /nfs/dbraw/zinc/07/98/61/1373079861.db2.gz QYWZQHZKUCDLHB-HXUWFJFHSA-N 2 1 343.515 3.033 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001127066638 1373079927 /nfs/dbraw/zinc/07/99/27/1373079927.db2.gz QYWZQHZKUCDLHB-FQEVSTJZSA-N 2 1 343.515 3.033 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001130299779 1373487727 /nfs/dbraw/zinc/48/77/27/1373487727.db2.gz CROSCEJYHBJGNO-HXUWFJFHSA-N 2 1 343.515 3.034 20 0 EGADMP c1ccc(C(c2ccccc2)[NH+]2CC(OCC3CC[NH2+]CC3)C2)cc1 ZINC001217827801 1373505061 /nfs/dbraw/zinc/50/50/61/1373505061.db2.gz NUFLEDOAKGRGHF-UHFFFAOYSA-N 2 1 336.479 3.476 20 0 EGADMP C[C@H](OCCC[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001217868695 1373508331 /nfs/dbraw/zinc/50/83/31/1373508331.db2.gz KUZQZEPNLURADQ-ZJOUEHCJSA-N 2 1 346.515 3.072 20 0 EGADMP C[C@H](OCCC[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001217868695 1373508337 /nfs/dbraw/zinc/50/83/37/1373508337.db2.gz KUZQZEPNLURADQ-ZJOUEHCJSA-N 2 1 346.515 3.072 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001130713687 1373583823 /nfs/dbraw/zinc/58/38/23/1373583823.db2.gz XQLVKOMGZITCGG-IBGZPJMESA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)=CCC/C(C)=C/CNC(=O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001220298309 1373764187 /nfs/dbraw/zinc/76/41/87/1373764187.db2.gz ICBYOXPXLDKQGS-XSORJCKLSA-N 2 1 347.547 3.259 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001221552767 1373780270 /nfs/dbraw/zinc/78/02/70/1373780270.db2.gz CGFYFNOSNIPULZ-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001221560694 1373781347 /nfs/dbraw/zinc/78/13/47/1373781347.db2.gz BAYRGSOOIVQDGU-KZNAEPCWSA-N 2 1 346.519 3.120 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001221560694 1373781351 /nfs/dbraw/zinc/78/13/51/1373781351.db2.gz BAYRGSOOIVQDGU-KZNAEPCWSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848212 1373798231 /nfs/dbraw/zinc/79/82/31/1373798231.db2.gz DWEFTAYNPVNCAV-VAMGGRTRSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221848212 1373798237 /nfs/dbraw/zinc/79/82/37/1373798237.db2.gz DWEFTAYNPVNCAV-VAMGGRTRSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221848212 1373798244 /nfs/dbraw/zinc/79/82/44/1373798244.db2.gz DWEFTAYNPVNCAV-VAMGGRTRSA-N 2 1 349.563 3.218 20 0 EGADMP C[N@@H+](CCC(=O)NCC[NH2+]CC1CCCCCC1)C1CCCCC1 ZINC001131815928 1373819650 /nfs/dbraw/zinc/81/96/50/1373819650.db2.gz ZTLMWWJZHOTHAT-UHFFFAOYSA-N 2 1 337.552 3.317 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815846 1373819973 /nfs/dbraw/zinc/81/99/73/1373819973.db2.gz WJOJNTQDJDPJSX-UHFFFAOYSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001326760173 1388301617 /nfs/dbraw/zinc/30/16/17/1388301617.db2.gz HUVKKJRPODHGDX-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188674044 1388358275 /nfs/dbraw/zinc/35/82/75/1388358275.db2.gz YGAUZPXLAFFRIL-CEXWTWQISA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(CC(=[NH2+])NO)cc1 ZINC001225550653 1375123306 /nfs/dbraw/zinc/12/33/06/1375123306.db2.gz SYDUXGYTGUPFJW-KXBFYZLASA-N 2 1 339.439 3.084 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCCC(C)(C)C ZINC001132105546 1375149913 /nfs/dbraw/zinc/14/99/13/1375149913.db2.gz ITJHPUASLBXCGQ-SJORKVTESA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCCC(C)(C)C ZINC001132105546 1375149918 /nfs/dbraw/zinc/14/99/18/1375149918.db2.gz ITJHPUASLBXCGQ-SJORKVTESA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCCC(C)(C)C ZINC001132105546 1375149923 /nfs/dbraw/zinc/14/99/23/1375149923.db2.gz ITJHPUASLBXCGQ-SJORKVTESA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCCC(C)(C)C ZINC001132105545 1375150135 /nfs/dbraw/zinc/15/01/35/1375150135.db2.gz ITJHPUASLBXCGQ-IRXDYDNUSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCCC(C)(C)C ZINC001132105545 1375150139 /nfs/dbraw/zinc/15/01/39/1375150139.db2.gz ITJHPUASLBXCGQ-IRXDYDNUSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCCC(C)(C)C ZINC001132105545 1375150142 /nfs/dbraw/zinc/15/01/42/1375150142.db2.gz ITJHPUASLBXCGQ-IRXDYDNUSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCC1CCCCC1 ZINC001132106427 1375151779 /nfs/dbraw/zinc/15/17/79/1375151779.db2.gz UICKDXDBNRYLGX-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCC1CCCCC1 ZINC001132106427 1375151788 /nfs/dbraw/zinc/15/17/88/1375151788.db2.gz UICKDXDBNRYLGX-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCC1CCCCC1 ZINC001132106427 1375151790 /nfs/dbraw/zinc/15/17/90/1375151790.db2.gz UICKDXDBNRYLGX-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CC1CCCCC1 ZINC001132110665 1375153585 /nfs/dbraw/zinc/15/35/85/1375153585.db2.gz KUZPXCGMMYITPI-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CC1CCCCC1 ZINC001132110665 1375153588 /nfs/dbraw/zinc/15/35/88/1375153588.db2.gz KUZPXCGMMYITPI-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CC1CCCCC1 ZINC001132110665 1375153592 /nfs/dbraw/zinc/15/35/92/1375153592.db2.gz KUZPXCGMMYITPI-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132140265 1375167041 /nfs/dbraw/zinc/16/70/41/1375167041.db2.gz HADWTBAKCDIBOE-SJORKVTESA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132140265 1375167043 /nfs/dbraw/zinc/16/70/43/1375167043.db2.gz HADWTBAKCDIBOE-SJORKVTESA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132140265 1375167048 /nfs/dbraw/zinc/16/70/48/1375167048.db2.gz HADWTBAKCDIBOE-SJORKVTESA-N 2 1 337.552 3.265 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@H+]1CCC1CC1 ZINC001132141530 1375167835 /nfs/dbraw/zinc/16/78/35/1375167835.db2.gz RLHJSIUCUSRDEU-AEFFLSMTSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[NH+]1CCC1CC1 ZINC001132141530 1375167836 /nfs/dbraw/zinc/16/78/36/1375167836.db2.gz RLHJSIUCUSRDEU-AEFFLSMTSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[NH+]1CCC1CC1 ZINC001132141530 1375167841 /nfs/dbraw/zinc/16/78/41/1375167841.db2.gz RLHJSIUCUSRDEU-AEFFLSMTSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@H+]1CC1CC1 ZINC001132142143 1375168805 /nfs/dbraw/zinc/16/88/05/1375168805.db2.gz YAKGQLNNURHLGC-NVXWUHKLSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[NH+]1CC1CC1 ZINC001132142143 1375168808 /nfs/dbraw/zinc/16/88/08/1375168808.db2.gz YAKGQLNNURHLGC-NVXWUHKLSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[NH+]1CC1CC1 ZINC001132142143 1375168811 /nfs/dbraw/zinc/16/88/11/1375168811.db2.gz YAKGQLNNURHLGC-NVXWUHKLSA-N 2 1 335.536 3.019 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132149129 1375170875 /nfs/dbraw/zinc/17/08/75/1375170875.db2.gz GHYZQLGXRZNMAH-ASIGSXEYSA-N 2 1 347.547 3.330 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132152380 1375171650 /nfs/dbraw/zinc/17/16/50/1375171650.db2.gz BBCPGUHFFRBFRY-DOTOQJQBSA-N 2 1 325.541 3.122 20 0 EGADMP CCC(CC)C[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132152380 1375171655 /nfs/dbraw/zinc/17/16/55/1375171655.db2.gz BBCPGUHFFRBFRY-DOTOQJQBSA-N 2 1 325.541 3.122 20 0 EGADMP CCC(CC)C[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132152380 1375171660 /nfs/dbraw/zinc/17/16/60/1375171660.db2.gz BBCPGUHFFRBFRY-DOTOQJQBSA-N 2 1 325.541 3.122 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132152381 1375171894 /nfs/dbraw/zinc/17/18/94/1375171894.db2.gz BBCPGUHFFRBFRY-NVXWUHKLSA-N 2 1 325.541 3.122 20 0 EGADMP CCC(CC)C[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132152381 1375171898 /nfs/dbraw/zinc/17/18/98/1375171898.db2.gz BBCPGUHFFRBFRY-NVXWUHKLSA-N 2 1 325.541 3.122 20 0 EGADMP CCC(CC)C[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132152381 1375171904 /nfs/dbraw/zinc/17/19/04/1375171904.db2.gz BBCPGUHFFRBFRY-NVXWUHKLSA-N 2 1 325.541 3.122 20 0 EGADMP CC(C)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132202188 1375205886 /nfs/dbraw/zinc/20/58/86/1375205886.db2.gz DPLQCUXBAHUQPH-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@H+]1CC1CC1 ZINC001132206638 1375208727 /nfs/dbraw/zinc/20/87/27/1375208727.db2.gz MLKXXCWUUBUCLT-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[NH+]1CC1CC1 ZINC001132206638 1375208730 /nfs/dbraw/zinc/20/87/30/1375208730.db2.gz MLKXXCWUUBUCLT-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[NH+]1CC1CC1 ZINC001132206638 1375208734 /nfs/dbraw/zinc/20/87/34/1375208734.db2.gz MLKXXCWUUBUCLT-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132211053 1375211934 /nfs/dbraw/zinc/21/19/34/1375211934.db2.gz LMKKBKPCRCPKGX-ROUUACIJSA-N 2 1 335.536 3.186 20 0 EGADMP Cc1cc(C)cc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)c1 ZINC001132249454 1375243788 /nfs/dbraw/zinc/24/37/88/1375243788.db2.gz PCBCSMZLYLCMND-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CCCC(C)(C)C ZINC001132266032 1375255985 /nfs/dbraw/zinc/25/59/85/1375255985.db2.gz VCMBYPKWDBRYAV-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132277459 1375261361 /nfs/dbraw/zinc/26/13/61/1375261361.db2.gz HGCXRYOUEMWDRN-PKOBYXMFSA-N 2 1 345.531 3.231 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132311476 1375289637 /nfs/dbraw/zinc/28/96/37/1375289637.db2.gz URFDLTMGOHZICM-SJLPKXTDSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132311476 1375289649 /nfs/dbraw/zinc/28/96/49/1375289649.db2.gz URFDLTMGOHZICM-SJLPKXTDSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132311476 1375289653 /nfs/dbraw/zinc/28/96/53/1375289653.db2.gz URFDLTMGOHZICM-SJLPKXTDSA-N 2 1 339.568 3.370 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001226891877 1375354146 /nfs/dbraw/zinc/35/41/46/1375354146.db2.gz WAGYQGMGLZFCIY-GUDVDZBRSA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cc(C)ccc2C)C1 ZINC001132409673 1375358536 /nfs/dbraw/zinc/35/85/36/1375358536.db2.gz COZBIGOKSDVCMQ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C)ccc2C)C1 ZINC001132409673 1375358543 /nfs/dbraw/zinc/35/85/43/1375358543.db2.gz COZBIGOKSDVCMQ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001132409673 1375358548 /nfs/dbraw/zinc/35/85/48/1375358548.db2.gz COZBIGOKSDVCMQ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132436098 1375381142 /nfs/dbraw/zinc/38/11/42/1375381142.db2.gz IQQLGVVWYLABRK-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001227083855 1375386366 /nfs/dbraw/zinc/38/63/66/1375386366.db2.gz ZCBVRLNSENTVRR-QRVBRYPASA-N 2 1 335.536 3.068 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[N@H+]1CC1CCCC1 ZINC001132492099 1375423636 /nfs/dbraw/zinc/42/36/36/1375423636.db2.gz CEAMGIOCSZEPDH-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132494969 1375424698 /nfs/dbraw/zinc/42/46/98/1375424698.db2.gz ZMNLOHUXGJQGAP-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1Cc1ccsc1 ZINC001132517405 1375436082 /nfs/dbraw/zinc/43/60/82/1375436082.db2.gz BXNHLDJGTHUTJN-WMZOPIPTSA-N 2 1 349.544 3.093 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132518670 1375437027 /nfs/dbraw/zinc/43/70/27/1375437027.db2.gz MNZQNUDABBYEPG-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001132518670 1375437030 /nfs/dbraw/zinc/43/70/30/1375437030.db2.gz MNZQNUDABBYEPG-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001132518670 1375437032 /nfs/dbraw/zinc/43/70/32/1375437032.db2.gz MNZQNUDABBYEPG-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CCc1ccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)cc1 ZINC001132519441 1375437338 /nfs/dbraw/zinc/43/73/38/1375437338.db2.gz YYBJBASZNARWMU-PXNSSMCTSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]2C)cc1 ZINC001132519441 1375437341 /nfs/dbraw/zinc/43/73/41/1375437341.db2.gz YYBJBASZNARWMU-PXNSSMCTSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]2C)cc1 ZINC001132519441 1375437343 /nfs/dbraw/zinc/43/73/43/1375437343.db2.gz YYBJBASZNARWMU-PXNSSMCTSA-N 2 1 345.531 3.058 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CCC(C)(C)C ZINC001132524366 1375440396 /nfs/dbraw/zinc/44/03/96/1375440396.db2.gz GJKBHIAHTMYHLX-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CCC1CCCC1 ZINC001132524348 1375440406 /nfs/dbraw/zinc/44/04/06/1375440406.db2.gz GFFOENONXDZFIU-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CC1CC(C)(C)C1 ZINC001132525493 1375441358 /nfs/dbraw/zinc/44/13/58/1375441358.db2.gz SMQZFBBKHZTEFE-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548805 1375455986 /nfs/dbraw/zinc/45/59/86/1375455986.db2.gz JGSPYFHJPXCQMS-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C/CC[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001227792780 1375475660 /nfs/dbraw/zinc/47/56/60/1375475660.db2.gz VPLLKXPAHNPNJY-UEKDZROGSA-N 2 1 335.536 3.186 20 0 EGADMP O=C(NCC[NH2+]CCCC1CCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132795512 1375568338 /nfs/dbraw/zinc/56/83/38/1375568338.db2.gz TWHGCFMNKSCPBZ-LJQANCHMSA-N 2 1 335.536 3.070 20 0 EGADMP O=C(NCC[NH2+]CCC1CCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132795078 1375568405 /nfs/dbraw/zinc/56/84/05/1375568405.db2.gz NFDOOYSCWFYBOA-IBGZPJMESA-N 2 1 335.536 3.070 20 0 EGADMP O=C(NCC[NH2+]CC1CCCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132794871 1375568894 /nfs/dbraw/zinc/56/88/94/1375568894.db2.gz IXAGSRRKZGVBNJ-IBGZPJMESA-N 2 1 335.536 3.070 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001132938605 1375657360 /nfs/dbraw/zinc/65/73/60/1375657360.db2.gz WJZUUCRZDFBRDI-IAGOWNOFSA-N 2 1 339.568 3.227 20 0 EGADMP CC[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001228853955 1375694025 /nfs/dbraw/zinc/69/40/25/1375694025.db2.gz TWEXVRVWMYXYOY-BRWVUGGUSA-N 2 1 334.508 3.070 20 0 EGADMP CCCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133142878 1375804026 /nfs/dbraw/zinc/80/40/26/1375804026.db2.gz PWEFLLOROMAVJA-MSOLQXFVSA-N 2 1 348.535 3.271 20 0 EGADMP CCCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133146959 1375807119 /nfs/dbraw/zinc/80/71/19/1375807119.db2.gz NYEHXBKVPJSWOR-ZWKOTPCHSA-N 2 1 348.535 3.271 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccc1C ZINC001229859686 1375905305 /nfs/dbraw/zinc/90/53/05/1375905305.db2.gz BNLPAPGMNWTPQO-WOJBJXKFSA-N 2 1 345.531 3.162 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133313297 1375916128 /nfs/dbraw/zinc/91/61/28/1375916128.db2.gz CQAPUTIPFHWPGM-FUHWJXTLSA-N 2 1 348.535 3.092 20 0 EGADMP CC(C)CCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001230374422 1376010103 /nfs/dbraw/zinc/01/01/03/1376010103.db2.gz WPWABMWXEKGIFT-FQEVSTJZSA-N 2 1 345.531 3.306 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001230538550 1376062493 /nfs/dbraw/zinc/06/24/93/1376062493.db2.gz VVHXZJBLWTYKNG-TZFVZSICSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001230538550 1376062501 /nfs/dbraw/zinc/06/25/01/1376062501.db2.gz VVHXZJBLWTYKNG-TZFVZSICSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001230538550 1376062511 /nfs/dbraw/zinc/06/25/11/1376062511.db2.gz VVHXZJBLWTYKNG-TZFVZSICSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001230597950 1376093172 /nfs/dbraw/zinc/09/31/72/1376093172.db2.gz ARLFVEDHJGFNQG-COJDAZNPSA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001230622801 1376105235 /nfs/dbraw/zinc/10/52/35/1376105235.db2.gz QWHLYBSVEJYSLI-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230622801 1376105237 /nfs/dbraw/zinc/10/52/37/1376105237.db2.gz QWHLYBSVEJYSLI-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230622801 1376105241 /nfs/dbraw/zinc/10/52/41/1376105241.db2.gz QWHLYBSVEJYSLI-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OC(F)(F)C(F)F)cc3)C[C@@H]2C1 ZINC001231826442 1376323020 /nfs/dbraw/zinc/32/30/20/1376323020.db2.gz NXFYLDXMCBUQIW-KGLIPLIRSA-N 2 1 346.368 3.307 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(OC(F)(F)C(F)F)cc3)C[C@@H]2C1 ZINC001231826442 1376323027 /nfs/dbraw/zinc/32/30/27/1376323027.db2.gz NXFYLDXMCBUQIW-KGLIPLIRSA-N 2 1 346.368 3.307 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OC(F)(F)C(F)F)cc3)C[C@@H]2C1 ZINC001231826442 1376323033 /nfs/dbraw/zinc/32/30/33/1376323033.db2.gz NXFYLDXMCBUQIW-KGLIPLIRSA-N 2 1 346.368 3.307 20 0 EGADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001232012392 1376382102 /nfs/dbraw/zinc/38/21/02/1376382102.db2.gz HZYJJERDTCKFBB-SUMWQHHRSA-N 2 1 342.443 3.004 20 0 EGADMP CNc1ccccc1C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001232669129 1376497845 /nfs/dbraw/zinc/49/78/45/1376497845.db2.gz UCBSNLDZEXWWGB-HXUWFJFHSA-N 2 1 331.504 3.051 20 0 EGADMP CNc1ccccc1C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001232669129 1376497847 /nfs/dbraw/zinc/49/78/47/1376497847.db2.gz UCBSNLDZEXWWGB-HXUWFJFHSA-N 2 1 331.504 3.051 20 0 EGADMP CNc1ccccc1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001232669129 1376497850 /nfs/dbraw/zinc/49/78/50/1376497850.db2.gz UCBSNLDZEXWWGB-HXUWFJFHSA-N 2 1 331.504 3.051 20 0 EGADMP CNc1ccccc1C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001232669129 1376497852 /nfs/dbraw/zinc/49/78/52/1376497852.db2.gz UCBSNLDZEXWWGB-HXUWFJFHSA-N 2 1 331.504 3.051 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(O)cc(Br)c3)C2)CC1 ZINC001232999023 1376553593 /nfs/dbraw/zinc/55/35/93/1376553593.db2.gz NHIQWOISKHMXCS-UHFFFAOYSA-N 2 1 339.277 3.072 20 0 EGADMP COc1cc(Cl)cc(F)c1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001233002766 1376554441 /nfs/dbraw/zinc/55/44/41/1376554441.db2.gz CYJUTVRHPOBMNR-UHFFFAOYSA-N 2 1 326.843 3.405 20 0 EGADMP COc1cc(Cl)cc(F)c1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001233002766 1376554442 /nfs/dbraw/zinc/55/44/42/1376554442.db2.gz CYJUTVRHPOBMNR-UHFFFAOYSA-N 2 1 326.843 3.405 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001134765932 1376710279 /nfs/dbraw/zinc/71/02/79/1376710279.db2.gz AOHJALPSGAIYDU-MJGOQNOKSA-N 2 1 331.504 3.025 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001134766859 1376710351 /nfs/dbraw/zinc/71/03/51/1376710351.db2.gz OCIYSMJZOONMFK-WOJBJXKFSA-N 2 1 343.515 3.033 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189109831 1388460223 /nfs/dbraw/zinc/46/02/23/1388460223.db2.gz GCJLMMZUEDZKPH-GBESFXJTSA-N 2 1 337.552 3.220 20 0 EGADMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001234024693 1376756516 /nfs/dbraw/zinc/75/65/16/1376756516.db2.gz KIUJLSLCLPFVMT-MRXNPFEDSA-N 2 1 335.407 3.297 20 0 EGADMP COc1cc(CN2CCN(c3ccccc3)CC2)ccc1-n1ccnc1 ZINC001234033183 1376757901 /nfs/dbraw/zinc/75/79/01/1376757901.db2.gz POEZXKJHTDCXHS-UHFFFAOYSA-N 2 1 348.450 3.203 20 0 EGADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001235017137 1376827908 /nfs/dbraw/zinc/82/79/08/1376827908.db2.gz BRHRMJHETGCVCF-UHOSZYNNSA-N 2 1 338.495 3.344 20 0 EGADMP Brc1ccc2cc(C[N@@H+]3CCC4(C[NH2+]C4)C3)ccc2c1 ZINC001235023934 1376830820 /nfs/dbraw/zinc/83/08/20/1376830820.db2.gz GPSPBXMYFZWXAX-UHFFFAOYSA-N 2 1 331.257 3.398 20 0 EGADMP Brc1ccc2cc(C[N@H+]3CCC4(C[NH2+]C4)C3)ccc2c1 ZINC001235023934 1376830825 /nfs/dbraw/zinc/83/08/25/1376830825.db2.gz GPSPBXMYFZWXAX-UHFFFAOYSA-N 2 1 331.257 3.398 20 0 EGADMP FC(F)(F)c1cc(Cl)ccc1C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235035115 1376832585 /nfs/dbraw/zinc/83/25/85/1376832585.db2.gz AWWHIDCRPNIZEJ-IUODEOHRSA-N 2 1 348.796 3.169 20 0 EGADMP FC(F)(F)c1cc(Cl)ccc1C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235035115 1376832589 /nfs/dbraw/zinc/83/25/89/1376832589.db2.gz AWWHIDCRPNIZEJ-IUODEOHRSA-N 2 1 348.796 3.169 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235038222 1376836476 /nfs/dbraw/zinc/83/64/76/1376836476.db2.gz DPSRSVNTDWTEGE-OAQYLSRUSA-N 2 1 344.499 3.404 20 0 EGADMP CC(C)CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135021718 1376851620 /nfs/dbraw/zinc/85/16/20/1376851620.db2.gz SCDHYQIHOBVINA-IRXDYDNUSA-N 2 1 348.535 3.071 20 0 EGADMP COc1ccc2[nH]cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235431108 1376871698 /nfs/dbraw/zinc/87/16/98/1376871698.db2.gz UQILFCRQBGJZDJ-HOTGVXAUSA-N 2 1 327.472 3.388 20 0 EGADMP c1ccc2c(c1)[C@@H]1C[N@@H+](C[C@H]3CCCC[NH2+]3)C[C@@H]1[C@@H]2OCC1CC1 ZINC001235630589 1376878426 /nfs/dbraw/zinc/87/84/26/1376878426.db2.gz DSBIHZKITILWRX-MBPVOVBZSA-N 2 1 326.484 3.325 20 0 EGADMP c1ccc2c(c1)[C@@H]1C[N@H+](C[C@H]3CCCC[NH2+]3)C[C@@H]1[C@@H]2OCC1CC1 ZINC001235630589 1376878434 /nfs/dbraw/zinc/87/84/34/1376878434.db2.gz DSBIHZKITILWRX-MBPVOVBZSA-N 2 1 326.484 3.325 20 0 EGADMP Clc1ccc([C@H]2CC[N@@H+](CC[C@@H]3C[NH2+]CCO3)C2)cc1Cl ZINC001235882997 1376909623 /nfs/dbraw/zinc/90/96/23/1376909623.db2.gz WEQIYIICHLROBI-UONOGXRCSA-N 2 1 329.271 3.161 20 0 EGADMP COc1cc(F)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1Cl ZINC001235886910 1376911169 /nfs/dbraw/zinc/91/11/69/1376911169.db2.gz DWZNLYRCJJROBA-MRXNPFEDSA-N 2 1 326.843 3.452 20 0 EGADMP CC(C)(C)OC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCCCCC[NH3+] ZINC001236230650 1376943439 /nfs/dbraw/zinc/94/34/39/1376943439.db2.gz NFGFRAGCAUDWGG-SFHVURJKSA-N 2 1 332.488 3.274 20 0 EGADMP CC(C)(C)OC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCCCCC[NH3+] ZINC001236230650 1376943447 /nfs/dbraw/zinc/94/34/47/1376943447.db2.gz NFGFRAGCAUDWGG-SFHVURJKSA-N 2 1 332.488 3.274 20 0 EGADMP CCC[N@@H+](Cc1ccc(Br)cc1OC)C[C@H]1CC[NH2+]C1 ZINC001236844145 1376966656 /nfs/dbraw/zinc/96/66/56/1376966656.db2.gz UCTPIKNHBINKPG-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP CCC[N@H+](Cc1ccc(Br)cc1OC)C[C@H]1CC[NH2+]C1 ZINC001236844145 1376966661 /nfs/dbraw/zinc/96/66/61/1376966661.db2.gz UCTPIKNHBINKPG-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP Clc1cccc2c1C[C@@H]([NH2+][C@@H]1CCCC[C@@]13C[NH2+]CCO3)CC2 ZINC001246160601 1377050302 /nfs/dbraw/zinc/05/03/02/1377050302.db2.gz NTFIXNIVILSIBM-KFKAGJAMSA-N 2 1 334.891 3.088 20 0 EGADMP CC[C@@H]1CC([N@@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)C[C@@H](CC)[NH2+]1 ZINC001246542647 1377052461 /nfs/dbraw/zinc/05/24/61/1377052461.db2.gz WPFCHHZHVJBBKJ-FMKPAKJESA-N 2 1 326.481 3.322 20 0 EGADMP CC[C@@H]1CC([N@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)C[C@@H](CC)[NH2+]1 ZINC001246542647 1377052464 /nfs/dbraw/zinc/05/24/64/1377052464.db2.gz WPFCHHZHVJBBKJ-FMKPAKJESA-N 2 1 326.481 3.322 20 0 EGADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+]([C@@H]2CC[C@@H](C)[NH2+]C2)C3)c1 ZINC001246727880 1377053627 /nfs/dbraw/zinc/05/36/27/1377053627.db2.gz WYUSVMRGPHSATO-WLRLJWMZSA-N 2 1 343.515 3.149 20 0 EGADMP C[N@H+]1CCC[C@H](N(CC[NH3+])Cc2ccc(Cl)cc2Cl)CC1 ZINC001246820848 1377055281 /nfs/dbraw/zinc/05/52/81/1377055281.db2.gz KLEDMCWZOFJAOZ-HNNXBMFYSA-N 2 1 330.303 3.238 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC[C@@H]1CCCC1(F)F ZINC001135437064 1377096835 /nfs/dbraw/zinc/09/68/35/1377096835.db2.gz LWZVZMUSWXODPW-INIZCTEOSA-N 2 1 347.494 3.030 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC1CCC2(CC2)CC1 ZINC001135437011 1377096981 /nfs/dbraw/zinc/09/69/81/1377096981.db2.gz JTGWRZIZRIZMPD-UHFFFAOYSA-N 2 1 337.552 3.175 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC001135440310 1377098706 /nfs/dbraw/zinc/09/87/06/1377098706.db2.gz KXTFZHCRHYDZTM-RTBURBONSA-N 2 1 339.568 3.421 20 0 EGADMP C[NH+]1CCC[C@@H]([N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001254529757 1377106845 /nfs/dbraw/zinc/10/68/45/1377106845.db2.gz PTRYUHJSADGAHO-CQSZACIVSA-N 2 1 331.287 3.272 20 0 EGADMP C[N@@H+]1CCC[C@@H]([NH+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001254529757 1377106836 /nfs/dbraw/zinc/10/68/36/1377106836.db2.gz PTRYUHJSADGAHO-CQSZACIVSA-N 2 1 331.287 3.272 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001254529757 1377106840 /nfs/dbraw/zinc/10/68/40/1377106840.db2.gz PTRYUHJSADGAHO-CQSZACIVSA-N 2 1 331.287 3.272 20 0 EGADMP C[NH+]1CCC[C@@H]([N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001254529757 1377106842 /nfs/dbraw/zinc/10/68/42/1377106842.db2.gz PTRYUHJSADGAHO-CQSZACIVSA-N 2 1 331.287 3.272 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254987287 1377109343 /nfs/dbraw/zinc/10/93/43/1377109343.db2.gz JSCKFUORCJSORI-BBWFWOEESA-N 2 1 339.524 3.048 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CCC(C)(C)C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135476390 1377110692 /nfs/dbraw/zinc/11/06/92/1377110692.db2.gz KFUWIGJPEYNNAM-HZPDHXFCSA-N 2 1 325.541 3.027 20 0 EGADMP CC(C)CC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001256368512 1377111563 /nfs/dbraw/zinc/11/15/63/1377111563.db2.gz ONBKFAQALXAJIA-CEWLAPEOSA-N 2 1 345.531 3.429 20 0 EGADMP CC(C)CC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001256368512 1377111566 /nfs/dbraw/zinc/11/15/66/1377111566.db2.gz ONBKFAQALXAJIA-CEWLAPEOSA-N 2 1 345.531 3.429 20 0 EGADMP CC(C)CC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001256368512 1377111569 /nfs/dbraw/zinc/11/15/69/1377111569.db2.gz ONBKFAQALXAJIA-CEWLAPEOSA-N 2 1 345.531 3.429 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135481105 1377112863 /nfs/dbraw/zinc/11/28/63/1377112863.db2.gz QDAKCNUOXNIYDV-JKSUJKDBSA-N 2 1 327.557 3.273 20 0 EGADMP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135601594 1377159581 /nfs/dbraw/zinc/15/95/81/1377159581.db2.gz WKITZRSVNLJQQK-DLBZAZTESA-N 2 1 336.524 3.460 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC1CCC1 ZINC001135678013 1377181059 /nfs/dbraw/zinc/18/10/59/1377181059.db2.gz AFOBAXBMJHWJGW-IAGOWNOFSA-N 2 1 348.535 3.425 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1ccc(C)cc1 ZINC001135860703 1377237999 /nfs/dbraw/zinc/23/79/99/1377237999.db2.gz GMGCYXXBUNOCHS-OALUTQOASA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135860708 1377238024 /nfs/dbraw/zinc/23/80/24/1377238024.db2.gz GOERGKNEHVDNFO-IRXDYDNUSA-N 2 1 339.568 3.418 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](CCC3CCCC3)C2)CCCCC1 ZINC001266333429 1377279698 /nfs/dbraw/zinc/27/96/98/1377279698.db2.gz MUMHVGWVMOILRX-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135979020 1377285169 /nfs/dbraw/zinc/28/51/69/1377285169.db2.gz AXBWLYBYPYEINQ-QZTJIDSGSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001135980661 1377285827 /nfs/dbraw/zinc/28/58/27/1377285827.db2.gz REXJHLHDDIZXLG-LSDHHAIUSA-N 2 1 339.911 3.055 20 0 EGADMP CCCc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCC)cc1 ZINC001135980998 1377286257 /nfs/dbraw/zinc/28/62/57/1377286257.db2.gz VYUXXEIFJDJTTD-MSOLQXFVSA-N 2 1 347.547 3.354 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135991496 1377289560 /nfs/dbraw/zinc/28/95/60/1377289560.db2.gz FBMRNCGOXJPGMT-MOPGFXCFSA-N 2 1 347.547 3.408 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135991498 1377289645 /nfs/dbraw/zinc/28/96/45/1377289645.db2.gz FBMRNCGOXJPGMT-RBUKOAKNSA-N 2 1 347.547 3.408 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001266653466 1377359844 /nfs/dbraw/zinc/35/98/44/1377359844.db2.gz HIMNFGBLVCQSAL-IHWFROFDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001266653466 1377359845 /nfs/dbraw/zinc/35/98/45/1377359845.db2.gz HIMNFGBLVCQSAL-IHWFROFDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001266653466 1377359847 /nfs/dbraw/zinc/35/98/47/1377359847.db2.gz HIMNFGBLVCQSAL-IHWFROFDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC001136640011 1377411948 /nfs/dbraw/zinc/41/19/48/1377411948.db2.gz IHJNSRUDQYJFGT-HXUWFJFHSA-N 2 1 349.563 3.223 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001267393365 1377444203 /nfs/dbraw/zinc/44/42/03/1377444203.db2.gz DHOXNUHZBYSYKS-QUCCMNQESA-N 2 1 345.531 3.224 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001267789541 1377469148 /nfs/dbraw/zinc/46/91/48/1377469148.db2.gz IWYLLTGDHNUJTE-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001267789541 1377469150 /nfs/dbraw/zinc/46/91/50/1377469150.db2.gz IWYLLTGDHNUJTE-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC001267789541 1377469155 /nfs/dbraw/zinc/46/91/55/1377469155.db2.gz IWYLLTGDHNUJTE-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5nccnc5c4)C[C@H]3C2)cc1 ZINC001137089060 1377476266 /nfs/dbraw/zinc/47/62/66/1377476266.db2.gz ZAZZRMVYAWEYGP-WOJBJXKFSA-N 2 1 344.462 3.194 20 0 EGADMP CC(C)[NH2+]Cc1ccc(CNC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC001267937536 1377477990 /nfs/dbraw/zinc/47/79/90/1377477990.db2.gz XWHAAUVNAYLJFB-UHFFFAOYSA-N 2 1 345.531 3.455 20 0 EGADMP C[C@@H](C[N@@H+](C)CC1CC(C)C1)NC(=O)CC[NH+](C)C1CCCCC1 ZINC001268741443 1377524171 /nfs/dbraw/zinc/52/41/71/1377524171.db2.gz ZTJIRHUESGJSJU-ADKAHSJRSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H](C[NH+](C)CC1CC(C)C1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001268741443 1377524175 /nfs/dbraw/zinc/52/41/75/1377524175.db2.gz ZTJIRHUESGJSJU-ADKAHSJRSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H](C[NH+](C)CC1CC(C)C1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001268741443 1377524179 /nfs/dbraw/zinc/52/41/79/1377524179.db2.gz ZTJIRHUESGJSJU-ADKAHSJRSA-N 2 1 337.552 3.124 20 0 EGADMP c1coc(CN2C[C@H]3C[C@@H](C2)C[N@H+](Cc2cccc4nccnc24)C3)c1 ZINC001138303424 1377699179 /nfs/dbraw/zinc/69/91/79/1377699179.db2.gz XEYNBODIJIXVMA-CALCHBBNSA-N 2 1 348.450 3.177 20 0 EGADMP Oc1cc(O)cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1 ZINC001138328605 1377702901 /nfs/dbraw/zinc/70/29/01/1377702901.db2.gz PPYRWBCEACAJFZ-UHFFFAOYSA-N 2 1 342.439 3.179 20 0 EGADMP CCCNC(=O)[C@H]1CCCCN1Cc1ccc(-n2ccnc2C)cc1 ZINC001138547558 1377740094 /nfs/dbraw/zinc/74/00/94/1377740094.db2.gz PIDPAFGCEHCIJP-LJQANCHMSA-N 2 1 340.471 3.061 20 0 EGADMP CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138547558 1377740095 /nfs/dbraw/zinc/74/00/95/1377740095.db2.gz PIDPAFGCEHCIJP-LJQANCHMSA-N 2 1 340.471 3.061 20 0 EGADMP CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138547558 1377740096 /nfs/dbraw/zinc/74/00/96/1377740096.db2.gz PIDPAFGCEHCIJP-LJQANCHMSA-N 2 1 340.471 3.061 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@](CF)(C(F)(F)F)C2)cc1 ZINC001138768696 1377782228 /nfs/dbraw/zinc/78/22/28/1377782228.db2.gz BQOZDZATEZFGRC-MRXNPFEDSA-N 2 1 348.384 3.351 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001138774054 1377782251 /nfs/dbraw/zinc/78/22/51/1377782251.db2.gz WTBIXXZECOOUER-UHFFFAOYSA-N 3 1 347.547 3.323 20 0 EGADMP CCCC[NH+]1CCC(N(C)Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001138774054 1377782252 /nfs/dbraw/zinc/78/22/52/1377782252.db2.gz WTBIXXZECOOUER-UHFFFAOYSA-N 2 1 347.547 3.323 20 0 EGADMP Nc1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001139229565 1377856446 /nfs/dbraw/zinc/85/64/46/1377856446.db2.gz DCJOTCBOMSAZBY-IRXDYDNUSA-N 2 1 342.512 3.069 20 0 EGADMP Nc1ncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001139229565 1377856448 /nfs/dbraw/zinc/85/64/48/1377856448.db2.gz DCJOTCBOMSAZBY-IRXDYDNUSA-N 2 1 342.512 3.069 20 0 EGADMP Nc1ncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001139229565 1377856450 /nfs/dbraw/zinc/85/64/50/1377856450.db2.gz DCJOTCBOMSAZBY-IRXDYDNUSA-N 2 1 342.512 3.069 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc(=O)[nH]c1)CC2 ZINC001139465690 1377887853 /nfs/dbraw/zinc/88/78/53/1377887853.db2.gz QYHBOWKVLJWIAX-GOSISDBHSA-N 2 1 341.455 3.257 20 0 EGADMP C[N@@H+](Cc1cc(Cl)ncc1Br)CC1CC[NH+](C)CC1 ZINC001139804592 1377952966 /nfs/dbraw/zinc/95/29/66/1377952966.db2.gz RCOUGRKSZJNWPI-UHFFFAOYSA-N 2 1 346.700 3.271 20 0 EGADMP C[N@H+](Cc1cc(Cl)ncc1Br)CC1CC[NH+](C)CC1 ZINC001139804592 1377952967 /nfs/dbraw/zinc/95/29/67/1377952967.db2.gz RCOUGRKSZJNWPI-UHFFFAOYSA-N 2 1 346.700 3.271 20 0 EGADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cccc2c3ccccc3oc21 ZINC001139858275 1377964412 /nfs/dbraw/zinc/96/44/12/1377964412.db2.gz CABYBKVESGLULI-UHFFFAOYSA-N 2 1 337.467 3.265 20 0 EGADMP CCCC[C@H](CC)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC3)C[C@H]2CC1 ZINC001273362475 1378099134 /nfs/dbraw/zinc/09/91/34/1378099134.db2.gz BUMIAXMCNURVMM-SLFFLAALSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC3)C[C@H]2CC1 ZINC001273362475 1378099137 /nfs/dbraw/zinc/09/91/37/1378099137.db2.gz BUMIAXMCNURVMM-SLFFLAALSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)cc(C)c1O ZINC001140658259 1378107004 /nfs/dbraw/zinc/10/70/04/1378107004.db2.gz QTLTZMXOGLVOKJ-OAQYLSRUSA-N 2 1 346.515 3.332 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)cc(C)c1O ZINC001140658259 1378107008 /nfs/dbraw/zinc/10/70/08/1378107008.db2.gz QTLTZMXOGLVOKJ-OAQYLSRUSA-N 2 1 346.515 3.332 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc(C)c1O ZINC001140658259 1378107012 /nfs/dbraw/zinc/10/70/12/1378107012.db2.gz QTLTZMXOGLVOKJ-OAQYLSRUSA-N 2 1 346.515 3.332 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc(C)c1O ZINC001140658259 1378107015 /nfs/dbraw/zinc/10/70/15/1378107015.db2.gz QTLTZMXOGLVOKJ-OAQYLSRUSA-N 2 1 346.515 3.332 20 0 EGADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140806279 1378145501 /nfs/dbraw/zinc/14/55/01/1378145501.db2.gz DSKCRIXIQLCZIT-CQSZACIVSA-N 2 1 330.432 3.004 20 0 EGADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140806279 1378145504 /nfs/dbraw/zinc/14/55/04/1378145504.db2.gz DSKCRIXIQLCZIT-CQSZACIVSA-N 2 1 330.432 3.004 20 0 EGADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001275768109 1378156427 /nfs/dbraw/zinc/15/64/27/1378156427.db2.gz OYYJMVSEFCKHBH-VXKWHMMOSA-N 2 1 337.511 3.358 20 0 EGADMP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@@H+](C)CCCC1CCC1 ZINC001275827812 1378158787 /nfs/dbraw/zinc/15/87/87/1378158787.db2.gz MZMFHHHEJLLMEF-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP Cn1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c2c1ccnc2Cl ZINC001277366132 1378219613 /nfs/dbraw/zinc/21/96/13/1378219613.db2.gz WCBVQFGNULFXJG-UHFFFAOYSA-N 2 1 332.879 3.144 20 0 EGADMP Cc1cc(N2CC[NH+](Cc3ccc4c(c3)OC(F)(F)O4)CC2)cc[nH+]1 ZINC001141156494 1378253754 /nfs/dbraw/zinc/25/37/54/1378253754.db2.gz YLYSTJSWVATTLQ-UHFFFAOYSA-N 2 1 347.365 3.034 20 0 EGADMP COC(=O)c1cccc(C[N@@H+](C)Cc2cccc(-n3ccnc3)c2)c1 ZINC001141244290 1378281968 /nfs/dbraw/zinc/28/19/68/1378281968.db2.gz IIKNJEUERTXQKP-UHFFFAOYSA-N 2 1 335.407 3.291 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC2CCOCC2)cc1 ZINC001141418465 1378321149 /nfs/dbraw/zinc/32/11/49/1378321149.db2.gz TWVSCLQWJJJJON-UHFFFAOYSA-N 2 1 334.504 3.408 20 0 EGADMP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cccc2nc[nH]c21 ZINC001142690636 1378478412 /nfs/dbraw/zinc/47/84/12/1378478412.db2.gz YRNCDLKSGFMKNL-UHFFFAOYSA-N 2 1 345.535 3.049 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccn5ccnc45)C[C@@H]3C2)cc1 ZINC001142952331 1378515467 /nfs/dbraw/zinc/51/54/67/1378515467.db2.gz OFJFDEIZXRAVON-OYRHEFFESA-N 2 1 346.478 3.207 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccn5ccnc45)C[C@@H]3C2)cc1 ZINC001142952331 1378515471 /nfs/dbraw/zinc/51/54/71/1378515471.db2.gz OFJFDEIZXRAVON-OYRHEFFESA-N 2 1 346.478 3.207 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccn5ccnc45)C[C@@H]3C2)cc1 ZINC001142952331 1378515474 /nfs/dbraw/zinc/51/54/74/1378515474.db2.gz OFJFDEIZXRAVON-OYRHEFFESA-N 2 1 346.478 3.207 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccn5ccnc45)C[C@@H]3C2)cc1 ZINC001142952331 1378515478 /nfs/dbraw/zinc/51/54/78/1378515478.db2.gz OFJFDEIZXRAVON-OYRHEFFESA-N 2 1 346.478 3.207 20 0 EGADMP Cc1cc(F)cc(CN2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001143584843 1378621179 /nfs/dbraw/zinc/62/11/79/1378621179.db2.gz ABGORLKJDKCEBR-RTBURBONSA-N 2 1 325.431 3.093 20 0 EGADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC001143809771 1378648988 /nfs/dbraw/zinc/64/89/88/1378648988.db2.gz BPCAGWXPTGGOID-UHFFFAOYSA-N 2 1 349.828 3.038 20 0 EGADMP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cc2)cn1 ZINC001327604846 1388566288 /nfs/dbraw/zinc/56/62/88/1388566288.db2.gz RXZBDVWFWQZRRF-IBGZPJMESA-N 2 1 338.499 3.299 20 0 EGADMP CN(Cc1[nH+]cn2ccccc12)C1CC[NH+](Cc2ccccc2)CC1 ZINC001144616948 1378751047 /nfs/dbraw/zinc/75/10/47/1378751047.db2.gz TWADQXHMDZXHGQ-UHFFFAOYSA-N 2 1 334.467 3.431 20 0 EGADMP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001146593821 1378872925 /nfs/dbraw/zinc/87/29/25/1378872925.db2.gz QLIVWWIJMJJBDY-MSOLQXFVSA-N 2 1 333.520 3.017 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC/C=C/c1ccccc1 ZINC001146590869 1378873582 /nfs/dbraw/zinc/87/35/82/1378873582.db2.gz CNILUNFEIGXFRW-OBIQQPLYSA-N 2 1 345.531 3.303 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](CC)c1ccccc1 ZINC001147358664 1379008204 /nfs/dbraw/zinc/00/82/04/1379008204.db2.gz HUSUXXGWSLFTBA-WOJBJXKFSA-N 2 1 345.531 3.498 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC001147466408 1379025877 /nfs/dbraw/zinc/02/58/77/1379025877.db2.gz KYTWKEGNLSYEIE-FXAWDEMLSA-N 2 1 339.483 3.146 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001147658166 1379056590 /nfs/dbraw/zinc/05/65/90/1379056590.db2.gz IRJQGRGUBJGGGL-LIXSYLKWSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001147658166 1379056593 /nfs/dbraw/zinc/05/65/93/1379056593.db2.gz IRJQGRGUBJGGGL-LIXSYLKWSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001147658166 1379056596 /nfs/dbraw/zinc/05/65/96/1379056596.db2.gz IRJQGRGUBJGGGL-LIXSYLKWSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001148017112 1379105703 /nfs/dbraw/zinc/10/57/03/1379105703.db2.gz GNOFZKJWEYLSAX-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001148017111 1379105841 /nfs/dbraw/zinc/10/58/41/1379105841.db2.gz GNOFZKJWEYLSAX-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001148125794 1379122185 /nfs/dbraw/zinc/12/21/85/1379122185.db2.gz QXRDEPVYZSMORG-IBGZPJMESA-N 2 1 349.563 3.223 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001148125794 1379122187 /nfs/dbraw/zinc/12/21/87/1379122187.db2.gz QXRDEPVYZSMORG-IBGZPJMESA-N 2 1 349.563 3.223 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001148125794 1379122189 /nfs/dbraw/zinc/12/21/89/1379122189.db2.gz QXRDEPVYZSMORG-IBGZPJMESA-N 2 1 349.563 3.223 20 0 EGADMP CCCCCC[N@@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001148436145 1379171785 /nfs/dbraw/zinc/17/17/85/1379171785.db2.gz JZHVMKJCXNZLER-UHFFFAOYSA-N 2 1 346.519 3.086 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001148436145 1379171789 /nfs/dbraw/zinc/17/17/89/1379171789.db2.gz JZHVMKJCXNZLER-UHFFFAOYSA-N 2 1 346.519 3.086 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@@H](CC)c1ccccc1)C2 ZINC001148651754 1379234156 /nfs/dbraw/zinc/23/41/56/1379234156.db2.gz PFOVXHHDBSWCQC-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](CC)c1ccccc1)C2 ZINC001148651754 1379234158 /nfs/dbraw/zinc/23/41/58/1379234158.db2.gz PFOVXHHDBSWCQC-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](CC)c1ccccc1)C2 ZINC001148651754 1379234160 /nfs/dbraw/zinc/23/41/60/1379234160.db2.gz PFOVXHHDBSWCQC-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH2+][C@@H](C)c1ccccc1)C(C)(C)C ZINC001284641937 1380047562 /nfs/dbraw/zinc/04/75/62/1380047562.db2.gz BXCYODYHCDTYDY-WMZOPIPTSA-N 2 1 333.520 3.210 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313493 1380053635 /nfs/dbraw/zinc/05/36/35/1380053635.db2.gz SZNZOPMUXYRUFX-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CCCC1CCC1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153313493 1380053637 /nfs/dbraw/zinc/05/36/37/1380053637.db2.gz SZNZOPMUXYRUFX-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CCCC1CCC1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153313493 1380053642 /nfs/dbraw/zinc/05/36/42/1380053642.db2.gz SZNZOPMUXYRUFX-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2nccn21 ZINC001153818825 1380136113 /nfs/dbraw/zinc/13/61/13/1380136113.db2.gz BTTAMABHGVWVFI-JKCVZHOFSA-N 2 1 346.519 3.334 20 0 EGADMP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153818825 1380136114 /nfs/dbraw/zinc/13/61/14/1380136114.db2.gz BTTAMABHGVWVFI-JKCVZHOFSA-N 2 1 346.519 3.334 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153818825 1380136115 /nfs/dbraw/zinc/13/61/15/1380136115.db2.gz BTTAMABHGVWVFI-JKCVZHOFSA-N 2 1 346.519 3.334 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2nccn21 ZINC001153818823 1380136263 /nfs/dbraw/zinc/13/62/63/1380136263.db2.gz BTTAMABHGVWVFI-BTFXCVNISA-N 2 1 346.519 3.334 20 0 EGADMP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153818823 1380136265 /nfs/dbraw/zinc/13/62/65/1380136265.db2.gz BTTAMABHGVWVFI-BTFXCVNISA-N 2 1 346.519 3.334 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153818823 1380136267 /nfs/dbraw/zinc/13/62/67/1380136267.db2.gz BTTAMABHGVWVFI-BTFXCVNISA-N 2 1 346.519 3.334 20 0 EGADMP CC[N@@H+](Cc1ccccc1F)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153880086 1380148800 /nfs/dbraw/zinc/14/88/00/1380148800.db2.gz XBIQCBBOOFWWQW-AEFFLSMTSA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](Cc1ccccc1F)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153880086 1380148802 /nfs/dbraw/zinc/14/88/02/1380148802.db2.gz XBIQCBBOOFWWQW-AEFFLSMTSA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](Cc1ccccc1F)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153880086 1380148803 /nfs/dbraw/zinc/14/88/03/1380148803.db2.gz XBIQCBBOOFWWQW-AEFFLSMTSA-N 2 1 349.494 3.027 20 0 EGADMP CC[N@@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580045 1380309036 /nfs/dbraw/zinc/30/90/36/1380309036.db2.gz MIPNBDVOBVALLJ-MRXNPFEDSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](CC)Cc2ccccc2)C1 ZINC001154785056 1380350795 /nfs/dbraw/zinc/35/07/95/1380350795.db2.gz XREUVNOKDBIUSD-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc2ccccc2)C1 ZINC001154785056 1380350797 /nfs/dbraw/zinc/35/07/97/1380350797.db2.gz XREUVNOKDBIUSD-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ccccc2)C1 ZINC001154785056 1380350798 /nfs/dbraw/zinc/35/07/98/1380350798.db2.gz XREUVNOKDBIUSD-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CC[N@@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844539 1380364017 /nfs/dbraw/zinc/36/40/17/1380364017.db2.gz MUXBXBCRUGGSJA-SCTDSRPQSA-N 2 1 349.563 3.124 20 0 EGADMP CC[NH+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001154844539 1380364020 /nfs/dbraw/zinc/36/40/20/1380364020.db2.gz MUXBXBCRUGGSJA-SCTDSRPQSA-N 2 1 349.563 3.124 20 0 EGADMP CC[NH+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001154844539 1380364022 /nfs/dbraw/zinc/36/40/22/1380364022.db2.gz MUXBXBCRUGGSJA-SCTDSRPQSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888060 1380373249 /nfs/dbraw/zinc/37/32/49/1380373249.db2.gz JXHCQPZONYKNBF-OAHLLOKOSA-N 2 1 337.508 3.218 20 0 EGADMP CC[N@@H+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999867 1380388018 /nfs/dbraw/zinc/38/80/18/1380388018.db2.gz QVRRMSUAZHHHTJ-QGZVFWFLSA-N 2 1 333.520 3.088 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(C)(C)C1)[NH+](CC)CC ZINC001155180512 1380420358 /nfs/dbraw/zinc/42/03/58/1380420358.db2.gz CGMAFVYZUIWDGD-SJLPKXTDSA-N 2 1 339.568 3.370 20 0 EGADMP CCc1ccccc1C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226963 1380426614 /nfs/dbraw/zinc/42/66/14/1380426614.db2.gz SKQZFPXEIRHHSR-QZTJIDSGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155226963 1380426615 /nfs/dbraw/zinc/42/66/15/1380426615.db2.gz SKQZFPXEIRHHSR-QZTJIDSGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155226963 1380426616 /nfs/dbraw/zinc/42/66/16/1380426616.db2.gz SKQZFPXEIRHHSR-QZTJIDSGSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](Cc1ccsc1)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263144 1380430138 /nfs/dbraw/zinc/43/01/38/1380430138.db2.gz LQJYMFKWQOFGFE-OAHLLOKOSA-N 2 1 339.549 3.053 20 0 EGADMP CC[NH+](Cc1ccsc1)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001155263144 1380430139 /nfs/dbraw/zinc/43/01/39/1380430139.db2.gz LQJYMFKWQOFGFE-OAHLLOKOSA-N 2 1 339.549 3.053 20 0 EGADMP CC[NH+](Cc1ccsc1)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001155263144 1380430140 /nfs/dbraw/zinc/43/01/40/1380430140.db2.gz LQJYMFKWQOFGFE-OAHLLOKOSA-N 2 1 339.549 3.053 20 0 EGADMP CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001155611861 1380473478 /nfs/dbraw/zinc/47/34/78/1380473478.db2.gz IYJZQQXJJIODBQ-MOPGFXCFSA-N 2 1 345.531 3.278 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC=C(C)C ZINC001155877701 1380502088 /nfs/dbraw/zinc/50/20/88/1380502088.db2.gz GMWJYKFXGFNUJI-GOSISDBHSA-N 2 1 325.541 3.291 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC=C(C)C ZINC001155877701 1380502089 /nfs/dbraw/zinc/50/20/89/1380502089.db2.gz GMWJYKFXGFNUJI-GOSISDBHSA-N 2 1 325.541 3.291 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C ZINC001155877701 1380502090 /nfs/dbraw/zinc/50/20/90/1380502090.db2.gz GMWJYKFXGFNUJI-GOSISDBHSA-N 2 1 325.541 3.291 20 0 EGADMP CC(C)c1ccc(CNc2nc(N3CCC([NH3+])CC3)cc[nH+]2)cc1 ZINC001155946056 1380507300 /nfs/dbraw/zinc/50/73/00/1380507300.db2.gz NJCDDGIXKIOPIG-UHFFFAOYSA-N 2 1 325.460 3.140 20 0 EGADMP CCc1ccccc1C[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156465938 1380579739 /nfs/dbraw/zinc/57/97/39/1380579739.db2.gz IEONIFZUPCBZDS-GOSISDBHSA-N 2 1 347.547 3.308 20 0 EGADMP CC[N@@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890551 1380719448 /nfs/dbraw/zinc/71/94/48/1380719448.db2.gz OQGUNFWKHIIKAA-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCC1CCCCCC1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156890551 1380719454 /nfs/dbraw/zinc/71/94/54/1380719454.db2.gz OQGUNFWKHIIKAA-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCC1CCCCCC1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156890551 1380719459 /nfs/dbraw/zinc/71/94/59/1380719459.db2.gz OQGUNFWKHIIKAA-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927051 1380730468 /nfs/dbraw/zinc/73/04/68/1380730468.db2.gz DCOGSBXNOXGTBO-GOSISDBHSA-N 2 1 345.531 3.232 20 0 EGADMP CC[N@@H+](Cc1ccccc1C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157091809 1380774068 /nfs/dbraw/zinc/77/40/68/1380774068.db2.gz CNFHBZKUAXJARD-LJQANCHMSA-N 2 1 345.531 3.198 20 0 EGADMP CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157118922 1380779794 /nfs/dbraw/zinc/77/97/94/1380779794.db2.gz OYNGLHMCDKEDAF-QUCCMNQESA-N 2 1 345.531 3.134 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](CC)CCC2CC2)o1 ZINC001157241316 1380821809 /nfs/dbraw/zinc/82/18/09/1380821809.db2.gz GXONNAMICHVDGI-MRXNPFEDSA-N 2 1 349.519 3.362 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001157950952 1381079768 /nfs/dbraw/zinc/07/97/68/1381079768.db2.gz LQSATPWMNXSTPN-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157950952 1381079771 /nfs/dbraw/zinc/07/97/71/1381079771.db2.gz LQSATPWMNXSTPN-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157950952 1381079773 /nfs/dbraw/zinc/07/97/73/1381079773.db2.gz LQSATPWMNXSTPN-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP Cc1ccc(C(C)(C)Nc2nc(N3CCC([NH3+])CC3)cc[nH+]2)cc1 ZINC001157979946 1381092243 /nfs/dbraw/zinc/09/22/43/1381092243.db2.gz SRLSVNRUTGWOPB-UHFFFAOYSA-N 2 1 325.460 3.060 20 0 EGADMP CC[C@@H](F)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158228111 1381167541 /nfs/dbraw/zinc/16/75/41/1381167541.db2.gz TUDPHMWINJXTRJ-SJLPKXTDSA-N 2 1 346.450 3.009 20 0 EGADMP Cc1ccc2c(c1)nc(Cl)cc2N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158260362 1381176372 /nfs/dbraw/zinc/17/63/72/1381176372.db2.gz CKJNYAGPSNDJOK-AWEZNQCLSA-N 2 1 344.890 3.198 20 0 EGADMP Cc1ccc2c(c1)nc(Cl)cc2N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158260362 1381176377 /nfs/dbraw/zinc/17/63/77/1381176377.db2.gz CKJNYAGPSNDJOK-AWEZNQCLSA-N 2 1 344.890 3.198 20 0 EGADMP C[N@@H+]1CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C2(CCCC2)C1 ZINC001158410672 1381235109 /nfs/dbraw/zinc/23/51/09/1381235109.db2.gz XOMWVHCILLPXBX-UHFFFAOYSA-N 2 1 348.922 3.395 20 0 EGADMP C[N@H+]1CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C2(CCCC2)C1 ZINC001158410672 1381235114 /nfs/dbraw/zinc/23/51/14/1381235114.db2.gz XOMWVHCILLPXBX-UHFFFAOYSA-N 2 1 348.922 3.395 20 0 EGADMP C[N@@H+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158433866 1381243977 /nfs/dbraw/zinc/24/39/77/1381243977.db2.gz AOVIMNCCQDYMED-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158434815 1381245947 /nfs/dbraw/zinc/24/59/47/1381245947.db2.gz NDYMMKDWZRTKRA-PXDRNWIDSA-N 2 1 349.563 3.388 20 0 EGADMP CC[C@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480836 1381261098 /nfs/dbraw/zinc/26/10/98/1381261098.db2.gz RISQCZXRFGHDCQ-ZWKOTPCHSA-N 2 1 339.568 3.323 20 0 EGADMP CC[C@H](C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001158480836 1381261104 /nfs/dbraw/zinc/26/11/04/1381261104.db2.gz RISQCZXRFGHDCQ-ZWKOTPCHSA-N 2 1 339.568 3.323 20 0 EGADMP CC[C@H](C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001158480836 1381261106 /nfs/dbraw/zinc/26/11/06/1381261106.db2.gz RISQCZXRFGHDCQ-ZWKOTPCHSA-N 2 1 339.568 3.323 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001158560105 1381299386 /nfs/dbraw/zinc/29/93/86/1381299386.db2.gz NYJBNWHAIVSDNM-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001158598251 1381314496 /nfs/dbraw/zinc/31/44/96/1381314496.db2.gz VKDPOYBENOKTCN-PKOBYXMFSA-N 2 1 348.535 3.331 20 0 EGADMP CC[C@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001158598251 1381314503 /nfs/dbraw/zinc/31/45/03/1381314503.db2.gz VKDPOYBENOKTCN-PKOBYXMFSA-N 2 1 348.535 3.331 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccccc1C ZINC001158616280 1381322510 /nfs/dbraw/zinc/32/25/10/1381322510.db2.gz LHIZKCZJDTWDAZ-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001328282161 1388713459 /nfs/dbraw/zinc/71/34/59/1388713459.db2.gz YBYKWANFJZFLCT-IEBWSBKVSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001328282161 1388713461 /nfs/dbraw/zinc/71/34/61/1388713461.db2.gz YBYKWANFJZFLCT-IEBWSBKVSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001328282161 1388713463 /nfs/dbraw/zinc/71/34/63/1388713463.db2.gz YBYKWANFJZFLCT-IEBWSBKVSA-N 2 1 345.531 3.134 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCF ZINC001158739820 1381377459 /nfs/dbraw/zinc/37/74/59/1381377459.db2.gz UEWIMIGENSZEJN-GOSISDBHSA-N 2 1 343.531 3.171 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCF ZINC001158739820 1381377466 /nfs/dbraw/zinc/37/74/66/1381377466.db2.gz UEWIMIGENSZEJN-GOSISDBHSA-N 2 1 343.531 3.171 20 0 EGADMP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158751594 1381382775 /nfs/dbraw/zinc/38/27/75/1381382775.db2.gz ZLEGMTANUFHENZ-RLWBPELLSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001158751594 1381382780 /nfs/dbraw/zinc/38/27/80/1381382780.db2.gz ZLEGMTANUFHENZ-RLWBPELLSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001158751594 1381382787 /nfs/dbraw/zinc/38/27/87/1381382787.db2.gz ZLEGMTANUFHENZ-RLWBPELLSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001158780613 1381396380 /nfs/dbraw/zinc/39/63/80/1381396380.db2.gz AQYLINRBZOXRSM-GOSISDBHSA-N 2 1 325.541 3.221 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001158780613 1381396384 /nfs/dbraw/zinc/39/63/84/1381396384.db2.gz AQYLINRBZOXRSM-GOSISDBHSA-N 2 1 325.541 3.221 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001158780613 1381396385 /nfs/dbraw/zinc/39/63/85/1381396385.db2.gz AQYLINRBZOXRSM-GOSISDBHSA-N 2 1 325.541 3.221 20 0 EGADMP C[N@@H+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158852641 1381433422 /nfs/dbraw/zinc/43/34/22/1381433422.db2.gz JCRXAHXAMFFDPN-HXUWFJFHSA-N 2 1 347.547 3.286 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001158923117 1381465961 /nfs/dbraw/zinc/46/59/61/1381465961.db2.gz OPMXZWIGGYWIAA-RBUKOAKNSA-N 2 1 339.568 3.322 20 0 EGADMP CC(C)C[C@H](C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001158923117 1381465966 /nfs/dbraw/zinc/46/59/66/1381465966.db2.gz OPMXZWIGGYWIAA-RBUKOAKNSA-N 2 1 339.568 3.322 20 0 EGADMP CC(C)C[C@H](C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001158923117 1381465970 /nfs/dbraw/zinc/46/59/70/1381465970.db2.gz OPMXZWIGGYWIAA-RBUKOAKNSA-N 2 1 339.568 3.322 20 0 EGADMP Nc1cc[nH+]c(-c2cc(Nc3ccc([C@H]4CCC[NH2+]4)cc3)ccn2)c1 ZINC001159225415 1381735624 /nfs/dbraw/zinc/73/56/24/1381735624.db2.gz ZWMDFNAKKXPYBN-GOSISDBHSA-N 2 1 331.423 3.316 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2ccc4c(n2)CC[NH2+]C4)C3)cc1 ZINC001159287643 1381752941 /nfs/dbraw/zinc/75/29/41/1381752941.db2.gz AFQYYUAESIMMLS-OWZKRDHZSA-N 2 1 348.494 3.335 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001159334183 1381767977 /nfs/dbraw/zinc/76/79/77/1381767977.db2.gz ACFATXSGVDEMEN-LHZAFZKQSA-N 2 1 343.515 3.060 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CCC2CCCCC2)CC1 ZINC001159628747 1381853750 /nfs/dbraw/zinc/85/37/50/1381853750.db2.gz PGDKGLKDXKSQKT-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CCC2CCCCC2)CC1 ZINC001159628747 1381853761 /nfs/dbraw/zinc/85/37/61/1381853761.db2.gz PGDKGLKDXKSQKT-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP c1ccc(C[N@@H+]2CC=C(Nc3ccccc3N3CC[NH2+]CC3)CC2)cc1 ZINC001159813197 1381908259 /nfs/dbraw/zinc/90/82/59/1381908259.db2.gz XBOGXYXWFOEPRL-UHFFFAOYSA-N 2 1 348.494 3.298 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001159909786 1381934132 /nfs/dbraw/zinc/93/41/32/1381934132.db2.gz NFYOOBPPZHNZGI-LPHOPBHVSA-N 2 1 349.494 3.246 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159909165 1381934591 /nfs/dbraw/zinc/93/45/91/1381934591.db2.gz KNJYURHVFNROBU-IEBWSBKVSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)(C)CCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159909256 1381934746 /nfs/dbraw/zinc/93/47/46/1381934746.db2.gz MGIROQCBHLVKGI-SFHVURJKSA-N 2 1 337.552 3.316 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@@H]1CCCc2[nH+]ccn21 ZINC001159933099 1381940316 /nfs/dbraw/zinc/94/03/16/1381940316.db2.gz ZKRAHVSIFSBEPP-SFHVURJKSA-N 2 1 346.519 3.217 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120856 1382002799 /nfs/dbraw/zinc/00/27/99/1382002799.db2.gz SNOMMXCMNAXUOK-IBGZPJMESA-N 2 1 335.536 3.188 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160120856 1382002806 /nfs/dbraw/zinc/00/28/06/1382002806.db2.gz SNOMMXCMNAXUOK-IBGZPJMESA-N 2 1 335.536 3.188 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160120856 1382002810 /nfs/dbraw/zinc/00/28/10/1382002810.db2.gz SNOMMXCMNAXUOK-IBGZPJMESA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160130971 1382007395 /nfs/dbraw/zinc/00/73/95/1382007395.db2.gz AUTQVEATYGXKEV-UHFFFAOYSA-N 2 1 347.547 3.356 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360081 1382082389 /nfs/dbraw/zinc/08/23/89/1382082389.db2.gz IJSBUDVNGHUGKG-IBGZPJMESA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)C[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160360081 1382082391 /nfs/dbraw/zinc/08/23/91/1382082391.db2.gz IJSBUDVNGHUGKG-IBGZPJMESA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)C[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160360081 1382082397 /nfs/dbraw/zinc/08/23/97/1382082397.db2.gz IJSBUDVNGHUGKG-IBGZPJMESA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160359812 1382082677 /nfs/dbraw/zinc/08/26/77/1382082677.db2.gz BJWXKKCOIDYSFF-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160360257 1382082729 /nfs/dbraw/zinc/08/27/29/1382082729.db2.gz MJXLCEDNOCOAEB-YLJYHZDGSA-N 2 1 349.563 3.147 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCCC1=CC[N@@H+](CC2CCCCC2)CC1)C1CC1 ZINC001160367647 1382085068 /nfs/dbraw/zinc/08/50/68/1382085068.db2.gz QWIGFZNXXINUHM-FQEVSTJZSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[C@@H](C(=O)NCCC1=CC[N@@H+](CC2CC(C)(C)C2)CC1)[NH+](C)C ZINC001160406582 1382096554 /nfs/dbraw/zinc/09/65/54/1382096554.db2.gz QPHGJUTZOXIOQB-IBGZPJMESA-N 2 1 349.563 3.147 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001160477969 1382117686 /nfs/dbraw/zinc/11/76/86/1382117686.db2.gz UZMMVXAUJGAWKZ-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001160477969 1382117689 /nfs/dbraw/zinc/11/76/89/1382117689.db2.gz UZMMVXAUJGAWKZ-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001160477969 1382117691 /nfs/dbraw/zinc/11/76/91/1382117691.db2.gz UZMMVXAUJGAWKZ-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP Cc1csc2c1nc(Cl)cc2N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160512985 1382127243 /nfs/dbraw/zinc/12/72/43/1382127243.db2.gz HVRPWVSGLHKDAW-INIZCTEOSA-N 2 1 336.892 3.093 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161028038 1382276916 /nfs/dbraw/zinc/27/69/16/1382276916.db2.gz DWXRESBJWDMVJL-SFHVURJKSA-N 2 1 337.552 3.149 20 0 EGADMP C[NH+](C)CC1(C(=O)NCCC2=CC[N@@H+](CCCC(C)(C)C)CC2)CC1 ZINC001161030369 1382278088 /nfs/dbraw/zinc/27/80/88/1382278088.db2.gz ZZNOZMGDMQBCDO-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161089319 1382294026 /nfs/dbraw/zinc/29/40/26/1382294026.db2.gz JYOAZSWJVPFTDA-SFHVURJKSA-N 2 1 343.515 3.146 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCCC2=CC[NH+](CC3CCCCC3)CC2)C1 ZINC001161213578 1382343521 /nfs/dbraw/zinc/34/35/21/1382343521.db2.gz KZHVMHHLEUPMMO-SFHVURJKSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NCCC2=CC[N@H+](CC3CCCCC3)CC2)C1 ZINC001161213578 1382343525 /nfs/dbraw/zinc/34/35/25/1382343525.db2.gz KZHVMHHLEUPMMO-SFHVURJKSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NCCC2=CC[N@@H+](CC3CCCCC3)CC2)C1 ZINC001161213578 1382343530 /nfs/dbraw/zinc/34/35/30/1382343530.db2.gz KZHVMHHLEUPMMO-SFHVURJKSA-N 2 1 347.547 3.047 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161219877 1382347052 /nfs/dbraw/zinc/34/70/52/1382347052.db2.gz OZVQQAGECFIZFG-FPLPWBNLSA-N 2 1 349.563 3.459 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161219687 1382347220 /nfs/dbraw/zinc/34/72/20/1382347220.db2.gz KXGRGQWBXNLMCZ-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001161219687 1382347222 /nfs/dbraw/zinc/34/72/22/1382347222.db2.gz KXGRGQWBXNLMCZ-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001161219687 1382347226 /nfs/dbraw/zinc/34/72/26/1382347226.db2.gz KXGRGQWBXNLMCZ-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC[NH+]2CCCC2)c2ccccc2)C1 ZINC001293770720 1382355220 /nfs/dbraw/zinc/35/52/20/1382355220.db2.gz LGRCVLMAGQUDHJ-LJQANCHMSA-N 2 1 343.515 3.237 20 0 EGADMP COCCC1(CNc2cc(C)c3cc(OC)ccc3[nH+]2)CC[NH2+]CC1 ZINC001161503484 1382424684 /nfs/dbraw/zinc/42/46/84/1382424684.db2.gz KIRZJYKDAUDTQL-UHFFFAOYSA-N 2 1 343.471 3.370 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001161924435 1382554540 /nfs/dbraw/zinc/55/45/40/1382554540.db2.gz CHFSCPHGACUQIP-ROUUACIJSA-N 2 1 349.563 3.434 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)NCCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001161994016 1382592282 /nfs/dbraw/zinc/59/22/82/1382592282.db2.gz PBOZFADURLTLRZ-UHFFFAOYSA-N 2 1 347.547 3.191 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C)cc1C ZINC001328661741 1388800925 /nfs/dbraw/zinc/80/09/25/1388800925.db2.gz HHYLSIBDHJZHTN-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC[C@]2(F)CCCC[NH2+]C2)nc1 ZINC001162580601 1382798035 /nfs/dbraw/zinc/79/80/35/1382798035.db2.gz VUJPXEDASWAQEK-APWZRJJASA-N 2 1 334.483 3.350 20 0 EGADMP Cc1cc([NH+]2CCCCC2)ccc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163096104 1382963751 /nfs/dbraw/zinc/96/37/51/1382963751.db2.gz QAZJFJXURBNOIB-QGZVFWFLSA-N 2 1 329.488 3.166 20 0 EGADMP C[N@@H+](CCC(=O)NCCC[NH2+]CC1CCCCC1)C1CCCCC1 ZINC001163274965 1383010594 /nfs/dbraw/zinc/01/05/94/1383010594.db2.gz LXTBIUQGFGDPQJ-UHFFFAOYSA-N 2 1 337.552 3.317 20 0 EGADMP Cc1ccccc1C[NH2+]CCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001163275240 1383010801 /nfs/dbraw/zinc/01/08/01/1383010801.db2.gz VWBXRZKYMNDODP-UHFFFAOYSA-N 2 1 345.531 3.246 20 0 EGADMP Cc1nc(N(C)C)cc(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)[nH+]1 ZINC001163315918 1383019695 /nfs/dbraw/zinc/01/96/95/1383019695.db2.gz UHQHSGIQQPIXCL-MRXNPFEDSA-N 2 1 329.492 3.084 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CC2(CCNC(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC001163820512 1383125449 /nfs/dbraw/zinc/12/54/49/1383125449.db2.gz FWJFSNOLLGWKNA-MJGOQNOKSA-N 2 1 343.515 3.026 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@H](C)c2ccccc2F)C1 ZINC001164456580 1383188680 /nfs/dbraw/zinc/18/86/80/1383188680.db2.gz VOEKVCWFKFDJDR-IAGOWNOFSA-N 2 1 349.494 3.105 20 0 EGADMP CC1(C)CC(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001164501141 1383193893 /nfs/dbraw/zinc/19/38/93/1383193893.db2.gz TVWFUMHRXRFAFG-LJQANCHMSA-N 2 1 349.563 3.316 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC1(C[NH2+]C[C@H](C)CC)CC1 ZINC001164578761 1383201014 /nfs/dbraw/zinc/20/10/14/1383201014.db2.gz QLJQYAQTZAAUAW-IAGOWNOFSA-N 2 1 348.535 3.319 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CCC3CCCC3)CC2)CC[N@H+]1C ZINC001164582791 1383202267 /nfs/dbraw/zinc/20/22/67/1383202267.db2.gz PJIKFKQYRRTYFZ-RBUKOAKNSA-N 2 1 349.563 3.173 20 0 EGADMP FC(F)(F)[C@@H]1N(c2cc(C3CC3)cc[nH+]2)CCC12CC[NH2+]CC2 ZINC001165267115 1383262508 /nfs/dbraw/zinc/26/25/08/1383262508.db2.gz YGLDUCMVYCHSLY-OAHLLOKOSA-N 2 1 325.378 3.470 20 0 EGADMP C[N@H+]1CCC[C@@H](CCNc2ccc(COC3CC[NH2+]CC3)cc2)C1 ZINC001165291448 1383267510 /nfs/dbraw/zinc/26/75/10/1383267510.db2.gz ZRBLZPKPQOCYKG-KRWDZBQOSA-N 2 1 331.504 3.099 20 0 EGADMP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165472233 1383299961 /nfs/dbraw/zinc/29/99/61/1383299961.db2.gz IFMIKFZOOQZLNJ-MSOLQXFVSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001165763761 1383341853 /nfs/dbraw/zinc/34/18/53/1383341853.db2.gz FQMWAUSKYIPPSX-ROUUACIJSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@H]([NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC001165776312 1383344359 /nfs/dbraw/zinc/34/43/59/1383344359.db2.gz HOHUUZWLGKBPEH-PKOBYXMFSA-N 2 1 343.515 3.108 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001301660863 1383724840 /nfs/dbraw/zinc/72/48/40/1383724840.db2.gz HLGAFBJXZCHZKR-QZTJIDSGSA-N 2 1 349.906 3.077 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC001167823308 1383749360 /nfs/dbraw/zinc/74/93/60/1383749360.db2.gz KHKMXADYVIFNCV-UZLBHIALSA-N 2 1 329.488 3.093 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC001167836369 1383755401 /nfs/dbraw/zinc/75/54/01/1383755401.db2.gz YPTHWQXAKVDKFM-SXLOBPIMSA-N 2 1 346.515 3.386 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001167839632 1383755605 /nfs/dbraw/zinc/75/56/05/1383755605.db2.gz AWLXDNNXLANHQP-ZACQAIPSSA-N 2 1 341.540 3.342 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001167838475 1383755786 /nfs/dbraw/zinc/75/57/86/1383755786.db2.gz VEKVLTYVHHOBJU-GOSISDBHSA-N 3 1 339.568 3.072 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)N1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001167838475 1383755791 /nfs/dbraw/zinc/75/57/91/1383755791.db2.gz VEKVLTYVHHOBJU-GOSISDBHSA-N 2 1 339.568 3.072 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)N1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001167838475 1383755795 /nfs/dbraw/zinc/75/57/95/1383755795.db2.gz VEKVLTYVHHOBJU-GOSISDBHSA-N 2 1 339.568 3.072 20 0 EGADMP c1csc(C[N@H+]2CCOC3(CC[NH+]([C@H]4C[C@H]5C[C@H]5C4)CC3)C2)c1 ZINC001167927322 1383771717 /nfs/dbraw/zinc/77/17/17/1383771717.db2.gz LTAJDEIYYKANDG-FVQHAEBGSA-N 2 1 332.513 3.213 20 0 EGADMP C[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@]1(O)C(F)(F)F ZINC001167984809 1383787621 /nfs/dbraw/zinc/78/76/21/1383787621.db2.gz SFNYKKKTQPMFKQ-HYLRJUEESA-N 2 1 346.437 3.027 20 0 EGADMP C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@]1(O)C(F)(F)F ZINC001167984809 1383787624 /nfs/dbraw/zinc/78/76/24/1383787624.db2.gz SFNYKKKTQPMFKQ-HYLRJUEESA-N 2 1 346.437 3.027 20 0 EGADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@]1(O)C(F)(F)F ZINC001167984809 1383787627 /nfs/dbraw/zinc/78/76/27/1383787627.db2.gz SFNYKKKTQPMFKQ-HYLRJUEESA-N 2 1 346.437 3.027 20 0 EGADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@]1(O)C(F)(F)F ZINC001167984809 1383787630 /nfs/dbraw/zinc/78/76/30/1383787630.db2.gz SFNYKKKTQPMFKQ-HYLRJUEESA-N 2 1 346.437 3.027 20 0 EGADMP C[N@H+]1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@@H]1c1ccccc1 ZINC001167995336 1383791534 /nfs/dbraw/zinc/79/15/34/1383791534.db2.gz BBEQKJNULQXFPF-IUPYZPJSSA-N 2 1 339.527 3.381 20 0 EGADMP C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@@H]1c1ccccc1 ZINC001167995336 1383791539 /nfs/dbraw/zinc/79/15/39/1383791539.db2.gz BBEQKJNULQXFPF-IUPYZPJSSA-N 2 1 339.527 3.381 20 0 EGADMP C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@@H]1c1ccccc1 ZINC001167995336 1383791545 /nfs/dbraw/zinc/79/15/45/1383791545.db2.gz BBEQKJNULQXFPF-IUPYZPJSSA-N 2 1 339.527 3.381 20 0 EGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(N1CCCC[C@H]1C[NH+]1CCCC1)C2 ZINC001167995466 1383792218 /nfs/dbraw/zinc/79/22/18/1383792218.db2.gz GNNDSNULZHIKMS-HWPVKAJDSA-N 2 1 331.548 3.342 20 0 EGADMP COc1cccc2c1CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001168004816 1383793732 /nfs/dbraw/zinc/79/37/32/1383793732.db2.gz ZVWLMYPZUJQGNM-DFNIBXOVSA-N 2 1 326.484 3.459 20 0 EGADMP COc1cccc2c1CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001168004816 1383793733 /nfs/dbraw/zinc/79/37/33/1383793733.db2.gz ZVWLMYPZUJQGNM-DFNIBXOVSA-N 2 1 326.484 3.459 20 0 EGADMP COc1cccc2c1CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001168004816 1383793737 /nfs/dbraw/zinc/79/37/37/1383793737.db2.gz ZVWLMYPZUJQGNM-DFNIBXOVSA-N 2 1 326.484 3.459 20 0 EGADMP COc1cccc2c1CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001168004816 1383793740 /nfs/dbraw/zinc/79/37/40/1383793740.db2.gz ZVWLMYPZUJQGNM-DFNIBXOVSA-N 2 1 326.484 3.459 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc[nH]c(=O)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168014127 1383797788 /nfs/dbraw/zinc/79/77/88/1383797788.db2.gz KGBAQYFDHMNUMW-HGKCTWBKSA-N 2 1 325.456 3.318 20 0 EGADMP C[C@H]1CC(NCC[NH+]2CCC(F)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168025306 1383799707 /nfs/dbraw/zinc/79/97/07/1383799707.db2.gz JHLGILHKWPSCBN-ROUUACIJSA-N 2 1 347.522 3.452 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2(CO)CCSCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168030238 1383799920 /nfs/dbraw/zinc/79/99/20/1383799920.db2.gz VDEPQIBGMRNPDA-IZZQQSIFSA-N 2 1 348.556 3.276 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168030076 1383800305 /nfs/dbraw/zinc/80/03/05/1383800305.db2.gz MOUIJPCYJNNEPU-UXHICEINSA-N 2 1 349.563 3.460 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[NH+](CC3CC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168051083 1383804276 /nfs/dbraw/zinc/80/42/76/1383804276.db2.gz FYRMETJTNNXODC-HATOLVCRSA-N 2 1 341.543 3.456 20 0 EGADMP C[C@@H]1CC([N@@H+]2CCCC3(C2)OCCO3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064629 1383808676 /nfs/dbraw/zinc/80/86/76/1383808676.db2.gz QZIGZBUMACJWDF-QZTJIDSGSA-N 2 1 344.499 3.267 20 0 EGADMP C[C@@H]1CC([N@H+]2CCCC3(C2)OCCO3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064629 1383808680 /nfs/dbraw/zinc/80/86/80/1383808680.db2.gz QZIGZBUMACJWDF-QZTJIDSGSA-N 2 1 344.499 3.267 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC([NH3+])(c3ccc(F)cc3)CC1)C2 ZINC001168252117 1383853386 /nfs/dbraw/zinc/85/33/86/1383853386.db2.gz MXWCAVKNCYSFDL-IBGZPJMESA-N 2 1 340.442 3.252 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC([NH3+])(c3cccc(F)c3)CC1)C2 ZINC001168252689 1383854124 /nfs/dbraw/zinc/85/41/24/1383854124.db2.gz TXVNVQAJCZNZOY-IBGZPJMESA-N 2 1 340.442 3.252 20 0 EGADMP C[NH+](C)C1CCC([NH2+]C2(C(=O)OCc3ccccc3)CCC2)CC1 ZINC001168304395 1383868563 /nfs/dbraw/zinc/86/85/63/1383868563.db2.gz ZWTPOBHFGIKGIF-UHFFFAOYSA-N 2 1 330.472 3.115 20 0 EGADMP CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168344394 1383879485 /nfs/dbraw/zinc/87/94/85/1383879485.db2.gz APNHKQVRYZEDGB-PKOBYXMFSA-N 2 1 345.531 3.212 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC001306846804 1383910520 /nfs/dbraw/zinc/91/05/20/1383910520.db2.gz ZHEGYEZQFSZDEA-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001306846804 1383910524 /nfs/dbraw/zinc/91/05/24/1383910524.db2.gz ZHEGYEZQFSZDEA-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001306846804 1383910527 /nfs/dbraw/zinc/91/05/27/1383910527.db2.gz ZHEGYEZQFSZDEA-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H](Cc1cccc(F)c1)[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001168486701 1383921221 /nfs/dbraw/zinc/92/12/21/1383921221.db2.gz MZVKTTQRLNIPAW-QRQLOZEOSA-N 2 1 339.458 3.216 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001168606090 1383947169 /nfs/dbraw/zinc/94/71/69/1383947169.db2.gz BSNCLBPYSOJPKC-QRVBRYPASA-N 2 1 337.552 3.031 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCO[C@H](c4ccc(OC)cc4)C3)C[C@@H]2C1 ZINC001168674863 1383967174 /nfs/dbraw/zinc/96/71/74/1383967174.db2.gz ZVILTLRPLGSRBU-HDAAZOAOSA-N 2 1 344.499 3.189 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)c(F)c1)C2 ZINC001169099130 1384106723 /nfs/dbraw/zinc/10/67/23/1384106723.db2.gz NUCAMRSJRSKEGW-XYYAHUGASA-N 2 1 332.341 3.439 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)c(F)c1)C2 ZINC001169099130 1384106724 /nfs/dbraw/zinc/10/67/24/1384106724.db2.gz NUCAMRSJRSKEGW-XYYAHUGASA-N 2 1 332.341 3.439 20 0 EGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC001308187953 1384106829 /nfs/dbraw/zinc/10/68/29/1384106829.db2.gz GHDJOFGXIQQQFQ-UHFFFAOYSA-N 2 1 326.444 3.231 20 0 EGADMP C[C@@H]1CCC[N@H+](CCN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308198753 1384108052 /nfs/dbraw/zinc/10/80/52/1384108052.db2.gz BJXAEJSYXBEMQX-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308198753 1384108054 /nfs/dbraw/zinc/10/80/54/1384108054.db2.gz BJXAEJSYXBEMQX-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1CCC[NH+](CCN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308198753 1384108056 /nfs/dbraw/zinc/10/80/56/1384108056.db2.gz BJXAEJSYXBEMQX-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1CCC[NH+](CCN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308198753 1384108058 /nfs/dbraw/zinc/10/80/58/1384108058.db2.gz BJXAEJSYXBEMQX-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCN(Cc3ccccc3Cl)C1)C2 ZINC001169109017 1384108426 /nfs/dbraw/zinc/10/84/26/1384108426.db2.gz GCUXLOATDXCSKD-XLAORIBOSA-N 2 1 333.907 3.129 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3cccc(F)c3F)CC1)C2 ZINC001169113940 1384108597 /nfs/dbraw/zinc/10/85/97/1384108597.db2.gz VJGGRZRPCCBQNP-BCDXTJNWSA-N 2 1 349.469 3.144 20 0 EGADMP Cc1ccc(CN2CCC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(F)c1 ZINC001169110592 1384108768 /nfs/dbraw/zinc/10/87/68/1384108768.db2.gz NKIHJNMSTAZORB-ACDBMABISA-N 2 1 345.506 3.313 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C)C2 ZINC001169113886 1384108871 /nfs/dbraw/zinc/10/88/71/1384108871.db2.gz VDUAMNDWYMOFLW-FZKCQIBNSA-N 2 1 339.524 3.141 20 0 EGADMP Fc1ccccc1-c1n[nH]cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001308208243 1384109247 /nfs/dbraw/zinc/10/92/47/1384109247.db2.gz NQYAEQATLXAQLZ-UHFFFAOYSA-N 2 1 328.435 3.180 20 0 EGADMP C[NH+](C)C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169125232 1384110704 /nfs/dbraw/zinc/11/07/04/1384110704.db2.gz WTIHCIAAVIWWQB-LJNKJDIJSA-N 2 1 345.575 3.348 20 0 EGADMP CN(C)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169125232 1384110706 /nfs/dbraw/zinc/11/07/06/1384110706.db2.gz WTIHCIAAVIWWQB-LJNKJDIJSA-N 2 1 345.575 3.348 20 0 EGADMP CN(C)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169125232 1384110708 /nfs/dbraw/zinc/11/07/08/1384110708.db2.gz WTIHCIAAVIWWQB-LJNKJDIJSA-N 2 1 345.575 3.348 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC3(CC(OCc4ccccc4)C3)C1)C2 ZINC001169155352 1384116421 /nfs/dbraw/zinc/11/64/21/1384116421.db2.gz NOXRPTUQZMVUGY-BWTSREIZSA-N 2 1 326.484 3.293 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC3(CC(OCc4ccccc4)C3)C1)C2 ZINC001169155352 1384116422 /nfs/dbraw/zinc/11/64/22/1384116422.db2.gz NOXRPTUQZMVUGY-BWTSREIZSA-N 2 1 326.484 3.293 20 0 EGADMP CSC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC001308288323 1384116498 /nfs/dbraw/zinc/11/64/98/1384116498.db2.gz SYXIEWWTCRLQRE-UHFFFAOYSA-N 2 1 334.529 3.153 20 0 EGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC001169246048 1384126860 /nfs/dbraw/zinc/12/68/60/1384126860.db2.gz NMJXAINZXHCXNV-CVEARBPZSA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC001169246048 1384126861 /nfs/dbraw/zinc/12/68/61/1384126861.db2.gz NMJXAINZXHCXNV-CVEARBPZSA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+]1CCC([N@@H+]2CCc3ncnc(-c4ccsc4)c3CC2)CC1 ZINC001169249232 1384127458 /nfs/dbraw/zinc/12/74/58/1384127458.db2.gz FXGHXTJCZMCRQV-UHFFFAOYSA-N 2 1 342.512 3.090 20 0 EGADMP CC[NH+]1CCC([N@H+]2CCc3ncnc(-c4ccsc4)c3CC2)CC1 ZINC001169249232 1384127460 /nfs/dbraw/zinc/12/74/60/1384127460.db2.gz FXGHXTJCZMCRQV-UHFFFAOYSA-N 2 1 342.512 3.090 20 0 EGADMP CCOc1cccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC001308488606 1384128497 /nfs/dbraw/zinc/12/84/97/1384128497.db2.gz OSZALCMWZAXEJF-MJGOQNOKSA-N 2 1 339.483 3.338 20 0 EGADMP CCOc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC001308488606 1384128499 /nfs/dbraw/zinc/12/84/99/1384128499.db2.gz OSZALCMWZAXEJF-MJGOQNOKSA-N 2 1 339.483 3.338 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(C)c3)CC2)CC1 ZINC001169264623 1384129407 /nfs/dbraw/zinc/12/94/07/1384129407.db2.gz ODBZNWBGHNRRNB-UHFFFAOYSA-N 2 1 344.503 3.065 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCC(OC(=O)c3ccccc3)CC1)C2 ZINC001169271738 1384130668 /nfs/dbraw/zinc/13/06/68/1384130668.db2.gz GXSUHTYXQWXLMF-NNUJQTDSSA-N 2 1 342.483 3.369 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc(OC)s2)CC1)CC1CC1 ZINC001308638897 1384138456 /nfs/dbraw/zinc/13/84/56/1384138456.db2.gz KJMTZERSMIWWHL-UHFFFAOYSA-N 2 1 337.533 3.486 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001169483535 1384153221 /nfs/dbraw/zinc/15/32/21/1384153221.db2.gz DRSVMGNTTAZOGC-QUCCMNQESA-N 2 1 345.531 3.087 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001169483535 1384153223 /nfs/dbraw/zinc/15/32/23/1384153223.db2.gz DRSVMGNTTAZOGC-QUCCMNQESA-N 2 1 345.531 3.087 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001169483535 1384153225 /nfs/dbraw/zinc/15/32/25/1384153225.db2.gz DRSVMGNTTAZOGC-QUCCMNQESA-N 2 1 345.531 3.087 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2CCCN(C(=O)OCC)CC2)CC1 ZINC001169712904 1384176657 /nfs/dbraw/zinc/17/66/57/1384176657.db2.gz HEFMDGHYXTZYOB-QGZVFWFLSA-N 2 1 339.524 3.194 20 0 EGADMP C[C@H](CCCC[NH2+]C/C=C/c1ccccc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169797915 1384187104 /nfs/dbraw/zinc/18/71/04/1384187104.db2.gz KWRWYGLNMRWAMZ-ZXKUBQOYSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169982112 1384210156 /nfs/dbraw/zinc/21/01/56/1384210156.db2.gz JJBINWINICXQQY-MRXNPFEDSA-N 2 1 333.520 3.494 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)C1 ZINC001170110598 1384237840 /nfs/dbraw/zinc/23/78/40/1384237840.db2.gz ZGRMNXPXTRRBOD-CVEARBPZSA-N 2 1 327.513 3.001 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001170223429 1384269670 /nfs/dbraw/zinc/26/96/70/1384269670.db2.gz UIJZRIWCRYADJN-UHFFFAOYSA-N 2 1 345.531 3.282 20 0 EGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001170419540 1384314082 /nfs/dbraw/zinc/31/40/82/1384314082.db2.gz FOEWMIZAKBMMBT-XLAORIBOSA-N 2 1 330.472 3.341 20 0 EGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001170419540 1384314084 /nfs/dbraw/zinc/31/40/84/1384314084.db2.gz FOEWMIZAKBMMBT-XLAORIBOSA-N 2 1 330.472 3.341 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861906 1384401002 /nfs/dbraw/zinc/40/10/02/1384401002.db2.gz HZOGNLBRMIYNPR-NLWGTHIKSA-N 2 1 349.563 3.482 20 0 EGADMP CC(C)c1cc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)nc(N(C)C)[nH+]1 ZINC001171097928 1384445588 /nfs/dbraw/zinc/44/55/88/1384445588.db2.gz WJYHDKMBODYILA-CQSZACIVSA-N 2 1 349.482 3.426 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCCCF ZINC001171120519 1384449588 /nfs/dbraw/zinc/44/95/88/1384449588.db2.gz NRHPFZCZEMMCEW-MSOLQXFVSA-N 2 1 343.531 3.265 20 0 EGADMP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171253840 1384479278 /nfs/dbraw/zinc/47/92/78/1384479278.db2.gz MLBIJFOWQMTTOZ-QGZVFWFLSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171254891 1384479920 /nfs/dbraw/zinc/47/99/20/1384479920.db2.gz VPNMNVXYXXVJTF-IRXDYDNUSA-N 2 1 334.508 3.071 20 0 EGADMP C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](CNC(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001316630837 1384494063 /nfs/dbraw/zinc/49/40/63/1384494063.db2.gz ZGZJEPJAQVHGBH-RDGPPVDQSA-N 2 1 349.563 3.172 20 0 EGADMP COc1ccc(Cl)c2c1C[C@@H]([N@H+]1C[C@H]3C[C@@]3(C[NH+](C)C)C1)CC2 ZINC001171326292 1384495035 /nfs/dbraw/zinc/49/50/35/1384495035.db2.gz NAWWCUNBQYBFNH-BIENJYKASA-N 2 1 334.891 3.089 20 0 EGADMP [NH3+]C1(c2cccnc2)CC[NH+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171411374 1384515778 /nfs/dbraw/zinc/51/57/78/1384515778.db2.gz HXRUJENUNZMPKV-QGZVFWFLSA-N 2 1 325.431 3.028 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001171586874 1384573142 /nfs/dbraw/zinc/57/31/42/1384573142.db2.gz USAKZIRJEMJASQ-MRXNPFEDSA-N 2 1 327.557 3.418 20 0 EGADMP CC(=O)N1CCCC[C@@]12CC[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171637383 1384588378 /nfs/dbraw/zinc/58/83/78/1384588378.db2.gz LUGJVSNWFUZZEP-FQEVSTJZSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1 ZINC001171646795 1384591569 /nfs/dbraw/zinc/59/15/69/1384591569.db2.gz PSNGPGWCDCJQQM-PKOBYXMFSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCC1 ZINC001171646794 1384592035 /nfs/dbraw/zinc/59/20/35/1384592035.db2.gz PSNGPGWCDCJQQM-MJGOQNOKSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccccc1C(C)C ZINC001171731331 1384617431 /nfs/dbraw/zinc/61/74/31/1384617431.db2.gz CJVZDNICVGUHIR-UHFFFAOYSA-N 2 1 333.520 3.138 20 0 EGADMP C[C@H]1C[C@@H](n2cc(CC[NH3+])c3c[nH+]ccc32)C[N@H+]1Cc1ccccc1 ZINC001171732729 1384618074 /nfs/dbraw/zinc/61/80/74/1384618074.db2.gz DHZGCIVBMDHYFB-QFBILLFUSA-N 3 1 334.467 3.373 20 0 EGADMP C[C@H]1C[C@@H](n2cc(CC[NH3+])c3cnccc32)C[N@@H+]1Cc1ccccc1 ZINC001171732729 1384618078 /nfs/dbraw/zinc/61/80/78/1384618078.db2.gz DHZGCIVBMDHYFB-QFBILLFUSA-N 2 1 334.467 3.373 20 0 EGADMP C[C@H]1C[C@@H](n2cc(CC[NH3+])c3cnccc32)C[N@H+]1Cc1ccccc1 ZINC001171732729 1384618081 /nfs/dbraw/zinc/61/80/81/1384618081.db2.gz DHZGCIVBMDHYFB-QFBILLFUSA-N 2 1 334.467 3.373 20 0 EGADMP Fc1cccc2c1C[C@H]([N@H+]1C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C1)C2 ZINC001171797415 1384641175 /nfs/dbraw/zinc/64/11/75/1384641175.db2.gz WBGZRCBQNZBHCK-IXDOHACOSA-N 2 1 342.483 3.418 20 0 EGADMP Fc1cccc2c1C[C@H]([N@@H+]1C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C1)C2 ZINC001171797415 1384641180 /nfs/dbraw/zinc/64/11/80/1384641180.db2.gz WBGZRCBQNZBHCK-IXDOHACOSA-N 2 1 342.483 3.418 20 0 EGADMP Fc1cccc2c1C[C@H]([NH+]1C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C1)C2 ZINC001171797415 1384641183 /nfs/dbraw/zinc/64/11/83/1384641183.db2.gz WBGZRCBQNZBHCK-IXDOHACOSA-N 2 1 342.483 3.418 20 0 EGADMP Fc1cccc2c1C[C@H]([NH+]1C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C1)C2 ZINC001171797415 1384641188 /nfs/dbraw/zinc/64/11/88/1384641188.db2.gz WBGZRCBQNZBHCK-IXDOHACOSA-N 2 1 342.483 3.418 20 0 EGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171893986 1384672279 /nfs/dbraw/zinc/67/22/79/1384672279.db2.gz BAQSHMRJDHGWNZ-LJQANCHMSA-N 2 1 343.515 3.097 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171893986 1384672283 /nfs/dbraw/zinc/67/22/83/1384672283.db2.gz BAQSHMRJDHGWNZ-LJQANCHMSA-N 2 1 343.515 3.097 20 0 EGADMP CCOC(=O)[C@@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974999 1384700867 /nfs/dbraw/zinc/70/08/67/1384700867.db2.gz JNVREIIGYDWREX-WMZOPIPTSA-N 2 1 332.488 3.218 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974212 1384700891 /nfs/dbraw/zinc/70/08/91/1384700891.db2.gz DTOYCJKZHSLZKM-QRVBRYPASA-N 2 1 344.499 3.361 20 0 EGADMP CC1(C)C[C@H](N(CC[NH3+])c2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC001171981721 1384702919 /nfs/dbraw/zinc/70/29/19/1384702919.db2.gz CRQBWFVKZNBZQO-LJQANCHMSA-N 2 1 338.499 3.290 20 0 EGADMP C[N@@H+](CCC1OCCO1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171986031 1384703586 /nfs/dbraw/zinc/70/35/86/1384703586.db2.gz FHZDAUKFEOQKOQ-SFHVURJKSA-N 2 1 332.488 3.124 20 0 EGADMP C[NH+](CCC1OCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986031 1384703591 /nfs/dbraw/zinc/70/35/91/1384703591.db2.gz FHZDAUKFEOQKOQ-SFHVURJKSA-N 2 1 332.488 3.124 20 0 EGADMP C[NH+](CCC1OCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986031 1384703593 /nfs/dbraw/zinc/70/35/93/1384703593.db2.gz FHZDAUKFEOQKOQ-SFHVURJKSA-N 2 1 332.488 3.124 20 0 EGADMP [NH3+][C@H]1CCC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172063155 1384715632 /nfs/dbraw/zinc/71/56/32/1384715632.db2.gz XBBRXTYPXBQCRM-LUYSREMJSA-N 2 1 327.516 3.432 20 0 EGADMP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172063155 1384715633 /nfs/dbraw/zinc/71/56/33/1384715633.db2.gz XBBRXTYPXBQCRM-LUYSREMJSA-N 3 1 327.516 3.432 20 0 EGADMP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172063155 1384715634 /nfs/dbraw/zinc/71/56/34/1384715634.db2.gz XBBRXTYPXBQCRM-LUYSREMJSA-N 3 1 327.516 3.432 20 0 EGADMP Cc1ncn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1CC[NH3+] ZINC001172064795 1384716012 /nfs/dbraw/zinc/71/60/12/1384716012.db2.gz JWEUUPIYAWZAPW-ACDBMABISA-N 2 1 338.499 3.451 20 0 EGADMP CN(CCC[NH+](C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172078557 1384721091 /nfs/dbraw/zinc/72/10/91/1384721091.db2.gz IGLQAPZMVOUFNI-AERCQKQUSA-N 2 1 329.532 3.456 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC001172100229 1384726519 /nfs/dbraw/zinc/72/65/19/1384726519.db2.gz BOUDGGDYKJLJGT-MXEMCNAFSA-N 2 1 327.516 3.428 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCC(=O)OCc1ccccc1)C2 ZINC001172104898 1384728285 /nfs/dbraw/zinc/72/82/85/1384728285.db2.gz GPOHRWRHKBLBQP-REPLKXPHSA-N 2 1 330.472 3.115 20 0 EGADMP COc1ccc2c(CC[NH3+])cn([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)c2c1 ZINC001172118239 1384732450 /nfs/dbraw/zinc/73/24/50/1384732450.db2.gz PRLBEBIZYZUWNY-BJWYYQGGSA-N 2 1 327.472 3.339 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC13CN(C(=O)OC(C)(C)C)C3)C2 ZINC001172116659 1384733578 /nfs/dbraw/zinc/73/35/78/1384733578.db2.gz BRBWNAPRQAQEDX-BJWYYQGGSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC13CN(C(=O)OC(C)(C)C)C3)C2 ZINC001172116659 1384733579 /nfs/dbraw/zinc/73/35/79/1384733579.db2.gz BRBWNAPRQAQEDX-BJWYYQGGSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC13CN(C(=O)OC(C)(C)C)C3)C2 ZINC001172116659 1384733581 /nfs/dbraw/zinc/73/35/81/1384733581.db2.gz BRBWNAPRQAQEDX-BJWYYQGGSA-N 2 1 349.519 3.087 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(COc3cccnc3)CC1)C2 ZINC001172121663 1384734829 /nfs/dbraw/zinc/73/48/29/1384734829.db2.gz SCPHEKOTGLILDZ-BWTSREIZSA-N 2 1 329.488 3.188 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(COc3cccnc3)CC1)C2 ZINC001172121663 1384734835 /nfs/dbraw/zinc/73/48/35/1384734835.db2.gz SCPHEKOTGLILDZ-BWTSREIZSA-N 2 1 329.488 3.188 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3ccccc3Cl)CC1)C2 ZINC001172126176 1384736025 /nfs/dbraw/zinc/73/60/25/1384736025.db2.gz UBLFXFASSYDZND-BJWYYQGGSA-N 2 1 333.907 3.477 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3ccccc3Cl)CC1)C2 ZINC001172126176 1384736028 /nfs/dbraw/zinc/73/60/28/1384736028.db2.gz UBLFXFASSYDZND-BJWYYQGGSA-N 2 1 333.907 3.477 20 0 EGADMP Cc1ccnc(O[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172132407 1384737615 /nfs/dbraw/zinc/73/76/15/1384737615.db2.gz KTHVPVKMHZIDIJ-FCGDIQPGSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1ccnc(O[C@@H]2CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172132407 1384737623 /nfs/dbraw/zinc/73/76/23/1384737623.db2.gz KTHVPVKMHZIDIJ-FCGDIQPGSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1ccnc(O[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172132407 1384737625 /nfs/dbraw/zinc/73/76/25/1384737625.db2.gz KTHVPVKMHZIDIJ-FCGDIQPGSA-N 2 1 329.488 3.249 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCN(c3ccc(F)cc3)CC1)C2 ZINC001172132710 1384737921 /nfs/dbraw/zinc/73/79/21/1384737921.db2.gz NEACKMTZIAHQJN-ACDBMABISA-N 2 1 331.479 3.353 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCN(c3ccc(F)cc3)CC1)C2 ZINC001172132710 1384737923 /nfs/dbraw/zinc/73/79/23/1384737923.db2.gz NEACKMTZIAHQJN-ACDBMABISA-N 2 1 331.479 3.353 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCN(c3ccc(F)cc3)CC1)C2 ZINC001172132710 1384737926 /nfs/dbraw/zinc/73/79/26/1384737926.db2.gz NEACKMTZIAHQJN-ACDBMABISA-N 2 1 331.479 3.353 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCN(c3ccc(F)cc3)CC1)C2 ZINC001172132710 1384737928 /nfs/dbraw/zinc/73/79/28/1384737928.db2.gz NEACKMTZIAHQJN-ACDBMABISA-N 2 1 331.479 3.353 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2F)C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172234591 1384753781 /nfs/dbraw/zinc/75/37/81/1384753781.db2.gz GRTDIFSGURWDNC-GSWHEVMTSA-N 2 1 330.447 3.384 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001172330391 1384771069 /nfs/dbraw/zinc/77/10/69/1384771069.db2.gz LPCVMSUKUMKEJZ-CVEARBPZSA-N 2 1 336.524 3.135 20 0 EGADMP CC[C@H](CC(C)C)[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001172397170 1384784298 /nfs/dbraw/zinc/78/42/98/1384784298.db2.gz JNPUPXZVKGUZRC-NJDAHSKKSA-N 2 1 345.531 3.429 20 0 EGADMP CC[C@H](CC(C)C)[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001172397170 1384784302 /nfs/dbraw/zinc/78/43/02/1384784302.db2.gz JNPUPXZVKGUZRC-NJDAHSKKSA-N 2 1 345.531 3.429 20 0 EGADMP CC[C@H](CC(C)C)[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001172397170 1384784305 /nfs/dbraw/zinc/78/43/05/1384784305.db2.gz JNPUPXZVKGUZRC-NJDAHSKKSA-N 2 1 345.531 3.429 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172601799 1384817180 /nfs/dbraw/zinc/81/71/80/1384817180.db2.gz GMRFOUHXQZNKLO-WTGUMLROSA-N 2 1 344.499 3.490 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172665804 1384829885 /nfs/dbraw/zinc/82/98/85/1384829885.db2.gz NXBLWAAKADYTFY-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)OC(=O)CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001172741491 1384840962 /nfs/dbraw/zinc/84/09/62/1384840962.db2.gz BEYFJHSEHPUMNF-KRWDZBQOSA-N 2 1 332.488 3.361 20 0 EGADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001172959361 1384890545 /nfs/dbraw/zinc/89/05/45/1384890545.db2.gz MYYHYVVNMDEQPP-JKSUJKDBSA-N 2 1 339.524 3.238 20 0 EGADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001172959361 1384890549 /nfs/dbraw/zinc/89/05/49/1384890549.db2.gz MYYHYVVNMDEQPP-JKSUJKDBSA-N 2 1 339.524 3.238 20 0 EGADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173083290 1384910000 /nfs/dbraw/zinc/91/00/00/1384910000.db2.gz SNOYOLLKSFGZMC-NSHDSACASA-N 2 1 327.350 3.395 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]3OCCC[C@]3(COC)C2)CC1 ZINC001173109456 1384916208 /nfs/dbraw/zinc/91/62/08/1384916208.db2.gz BNUGIINFKUWONV-GHBBCFCZSA-N 2 1 338.536 3.157 20 0 EGADMP CC[NH+](CC)C1CCC([N@@H+](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001173108601 1384916236 /nfs/dbraw/zinc/91/62/36/1384916236.db2.gz OWFMMVKZHBSRQS-UHFFFAOYSA-N 2 1 341.540 3.438 20 0 EGADMP c1nc2c(s1)C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001173122295 1384918641 /nfs/dbraw/zinc/91/86/41/1384918641.db2.gz XEBHWNWRAQPLRP-IRXDYDNUSA-N 2 1 327.497 3.112 20 0 EGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCc2ncsc2C1 ZINC001173144197 1384923098 /nfs/dbraw/zinc/92/30/98/1384923098.db2.gz SMXYBOXXIZCGOZ-MSOLQXFVSA-N 2 1 341.524 3.454 20 0 EGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCc2ncsc2C1 ZINC001173144197 1384923102 /nfs/dbraw/zinc/92/31/02/1384923102.db2.gz SMXYBOXXIZCGOZ-MSOLQXFVSA-N 2 1 341.524 3.454 20 0 EGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCc2ncsc2C1 ZINC001173144197 1384923104 /nfs/dbraw/zinc/92/31/04/1384923104.db2.gz SMXYBOXXIZCGOZ-MSOLQXFVSA-N 2 1 341.524 3.454 20 0 EGADMP CC[N@H+]1CC[C@@H](n2cc(CC[NH3+])c3cc(Br)ccc32)C1 ZINC001173352407 1384963208 /nfs/dbraw/zinc/96/32/08/1384963208.db2.gz LBEVLEPIONFUTD-CQSZACIVSA-N 2 1 336.277 3.172 20 0 EGADMP CC[N@H+]1CC[C@@H](N2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)C1 ZINC001173354829 1384963606 /nfs/dbraw/zinc/96/36/06/1384963606.db2.gz STTYIADCBXVQGI-CQSZACIVSA-N 2 1 341.421 3.049 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)C[C@H]2CCCC[NH+]2Cc2ccc(OC)cc2)C1 ZINC001173367251 1384965903 /nfs/dbraw/zinc/96/59/03/1384965903.db2.gz FJALPGIGYMDNEG-WOJBJXKFSA-N 2 1 345.531 3.076 20 0 EGADMP CC[NH+]1CC[C@@H](N(C)C[C@H]2CCCC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC001173367251 1384965910 /nfs/dbraw/zinc/96/59/10/1384965910.db2.gz FJALPGIGYMDNEG-WOJBJXKFSA-N 2 1 345.531 3.076 20 0 EGADMP CC[NH+]1CC[C@@H](N(C)C[C@H]2CCCC[N@H+]2Cc2ccc(OC)cc2)C1 ZINC001173367251 1384965914 /nfs/dbraw/zinc/96/59/14/1384965914.db2.gz FJALPGIGYMDNEG-WOJBJXKFSA-N 2 1 345.531 3.076 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001317201268 1384977848 /nfs/dbraw/zinc/97/78/48/1384977848.db2.gz AQZHRBNMKRADIH-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001317201268 1384977851 /nfs/dbraw/zinc/97/78/51/1384977851.db2.gz AQZHRBNMKRADIH-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC001317201268 1384977854 /nfs/dbraw/zinc/97/78/54/1384977854.db2.gz AQZHRBNMKRADIH-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[N@@H+](C)CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001317471748 1385166463 /nfs/dbraw/zinc/16/64/63/1385166463.db2.gz OMTSMHIRJXTHKZ-MOPGFXCFSA-N 2 1 337.552 3.127 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174905687 1385168396 /nfs/dbraw/zinc/16/83/96/1385168396.db2.gz MLULKARHHKGTNK-LNLFQRSKSA-N 2 1 339.568 3.418 20 0 EGADMP CCc1ccccc1C[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001317492726 1385193813 /nfs/dbraw/zinc/19/38/13/1385193813.db2.gz PNPXRSFEJRLWRM-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCc1ccccc1C[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001317492726 1385193815 /nfs/dbraw/zinc/19/38/15/1385193815.db2.gz PNPXRSFEJRLWRM-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCc1ccccc1C[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001317492726 1385193817 /nfs/dbraw/zinc/19/38/17/1385193817.db2.gz PNPXRSFEJRLWRM-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CC1CC(C[N@H+]2CCC[C@@H]2CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317501385 1385203633 /nfs/dbraw/zinc/20/36/33/1385203633.db2.gz LAQCIPDHVZJSNJ-CTWPCTMYSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCCC1)[NH+](C)C ZINC001317509851 1385219293 /nfs/dbraw/zinc/21/92/93/1385219293.db2.gz PYTIDXNWMIGFHR-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175263678 1385233230 /nfs/dbraw/zinc/23/32/30/1385233230.db2.gz QIJWKUCTTOGYIF-IAGOWNOFSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@H](CCCC[NH2+]CCCCCF)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175271821 1385237288 /nfs/dbraw/zinc/23/72/88/1385237288.db2.gz FDWFYVDGSVUSPL-QGZVFWFLSA-N 2 1 343.531 3.123 20 0 EGADMP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175273486 1385238186 /nfs/dbraw/zinc/23/81/86/1385238186.db2.gz SGSDZFNWSJUJNS-MJRGOJFPSA-N 2 1 337.552 3.339 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC[NH2+][C@@H](CC)c2ccccc2)C1 ZINC001317623131 1385358224 /nfs/dbraw/zinc/35/82/24/1385358224.db2.gz LCBPKZHXNAINCH-PMACEKPBSA-N 2 1 345.531 3.308 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001317636398 1385367527 /nfs/dbraw/zinc/36/75/27/1385367527.db2.gz NQXZGCZJHALAJC-LPHOPBHVSA-N 2 1 349.494 3.198 20 0 EGADMP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176023408 1385463293 /nfs/dbraw/zinc/46/32/93/1385463293.db2.gz HNIJGMTYVQTVHB-CNZFZVQHSA-N 2 1 325.541 3.339 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001176024956 1385464721 /nfs/dbraw/zinc/46/47/21/1385464721.db2.gz VOTUASIZYAIAAK-JKSUJKDBSA-N 2 1 347.494 3.028 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCc1ccc(C)cc1 ZINC001176025202 1385465183 /nfs/dbraw/zinc/46/51/83/1385465183.db2.gz ZDSWVVYNAVVRJN-LJQANCHMSA-N 2 1 347.547 3.144 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCCc1ccccc1 ZINC001176033593 1385466889 /nfs/dbraw/zinc/46/68/89/1385466889.db2.gz SORQRBRUBQYIOT-LJQANCHMSA-N 2 1 347.547 3.226 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176164678 1385500263 /nfs/dbraw/zinc/50/02/63/1385500263.db2.gz DCSPLGQKNUMWKE-ROUUACIJSA-N 2 1 339.568 3.419 20 0 EGADMP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176165215 1385500641 /nfs/dbraw/zinc/50/06/41/1385500641.db2.gz JKQNHZFPDNHIFD-ROUUACIJSA-N 2 1 325.541 3.173 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC1CC(F)(F)C1 ZINC001176269460 1385532346 /nfs/dbraw/zinc/53/23/46/1385532346.db2.gz TZDLOFMNLHBUKI-OAHLLOKOSA-N 2 1 347.494 3.028 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(CC)c1 ZINC001176277465 1385536154 /nfs/dbraw/zinc/53/61/54/1385536154.db2.gz FNLSKHUIINMNRJ-SFHVURJKSA-N 2 1 347.547 3.355 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]C/C=C/c1ccccc1 ZINC001176279643 1385536706 /nfs/dbraw/zinc/53/67/06/1385536706.db2.gz OQTYDHVQJUMHSJ-NRJHKNTJSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001176283906 1385538885 /nfs/dbraw/zinc/53/88/85/1385538885.db2.gz ARBDEIOSCQZFCY-KRWDZBQOSA-N 2 1 325.541 3.173 20 0 EGADMP CCCN(C(=O)C[NH2+]C(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001318211674 1385628637 /nfs/dbraw/zinc/62/86/37/1385628637.db2.gz QRCOMFJOMYNYKG-IBGZPJMESA-N 2 1 345.531 3.278 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)c1 ZINC001318281086 1385639807 /nfs/dbraw/zinc/63/98/07/1385639807.db2.gz DUJCBFWWQHZRTQ-HKUYNNGSSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)c1 ZINC001318281086 1385639810 /nfs/dbraw/zinc/63/98/10/1385639810.db2.gz DUJCBFWWQHZRTQ-HKUYNNGSSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)c1 ZINC001318281086 1385639817 /nfs/dbraw/zinc/63/98/17/1385639817.db2.gz DUJCBFWWQHZRTQ-HKUYNNGSSA-N 2 1 345.531 3.224 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176753204 1385683247 /nfs/dbraw/zinc/68/32/47/1385683247.db2.gz CWDUKZNRVXLVBB-QZTJIDSGSA-N 2 1 327.557 3.273 20 0 EGADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176820429 1385713094 /nfs/dbraw/zinc/71/30/94/1385713094.db2.gz NFLQTFIKGHBDTE-SFHVURJKSA-N 2 1 333.520 3.039 20 0 EGADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176820429 1385713097 /nfs/dbraw/zinc/71/30/97/1385713097.db2.gz NFLQTFIKGHBDTE-SFHVURJKSA-N 2 1 333.520 3.039 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001176991995 1385765615 /nfs/dbraw/zinc/76/56/15/1385765615.db2.gz GVHRJWRQKNSHKP-MJGOQNOKSA-N 2 1 331.504 3.026 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CCC1=CCCCC1)c1ccccc1 ZINC001177016366 1385773501 /nfs/dbraw/zinc/77/35/01/1385773501.db2.gz KQZGETPXFHSXSF-FQEVSTJZSA-N 2 1 343.515 3.276 20 0 EGADMP CC1CC(C[NH2+]CCCN(CC2CCCC2)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001177267809 1385890539 /nfs/dbraw/zinc/89/05/39/1385890539.db2.gz YTLLAJFTSPTKHF-UUKMXZOPSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(CCC[NH2+]CC2CCC2)CC2CCCC2)C1 ZINC001177415717 1385948391 /nfs/dbraw/zinc/94/83/91/1385948391.db2.gz JEYNSIWINLWYBD-SFHVURJKSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001177415786 1385948645 /nfs/dbraw/zinc/94/86/45/1385948645.db2.gz LLBWQJLBYFJJAN-UHFFFAOYSA-N 2 1 339.568 3.371 20 0 EGADMP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001177415778 1385948880 /nfs/dbraw/zinc/94/88/80/1385948880.db2.gz LGOBRSHXVFBITN-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001178468840 1386226943 /nfs/dbraw/zinc/22/69/43/1386226943.db2.gz XEZNAJZAIBKOBR-FQEVSTJZSA-N 2 1 345.531 3.326 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCCCCC[NH2+]CCCCCF ZINC001178729295 1386291781 /nfs/dbraw/zinc/29/17/81/1386291781.db2.gz RTUPKENZSSVYGA-GOSISDBHSA-N 2 1 343.531 3.267 20 0 EGADMP CC1CC(C[NH2+]CCCCCCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001178733326 1386292806 /nfs/dbraw/zinc/29/28/06/1386292806.db2.gz MZZUINZDKGVRHA-ACBHZAAOSA-N 2 1 337.552 3.173 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]CCCCCF ZINC001178853347 1386329438 /nfs/dbraw/zinc/32/94/38/1386329438.db2.gz HMWXGJZNVQMEBF-UHFFFAOYSA-N 2 1 331.520 3.123 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001319932157 1386400737 /nfs/dbraw/zinc/40/07/37/1386400737.db2.gz JCVDZUJCUZCYHJ-MRXNPFEDSA-N 2 1 336.549 3.215 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001319932157 1386400738 /nfs/dbraw/zinc/40/07/38/1386400738.db2.gz JCVDZUJCUZCYHJ-MRXNPFEDSA-N 2 1 336.549 3.215 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC001319932157 1386400741 /nfs/dbraw/zinc/40/07/41/1386400741.db2.gz JCVDZUJCUZCYHJ-MRXNPFEDSA-N 2 1 336.549 3.215 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001319932157 1386400743 /nfs/dbraw/zinc/40/07/43/1386400743.db2.gz JCVDZUJCUZCYHJ-MRXNPFEDSA-N 2 1 336.549 3.215 20 0 EGADMP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001179234377 1386428570 /nfs/dbraw/zinc/42/85/70/1386428570.db2.gz MDINVZFWGLUSBO-LNLFQRSKSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCCCCCC[NH2+]CC2=CCCCC2)CC[N@H+]1C ZINC001179379002 1386467670 /nfs/dbraw/zinc/46/76/70/1386467670.db2.gz VTRXSYNYDPLTRY-ICSRJNTNSA-N 2 1 349.563 3.483 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CC(CC)CC)[C@@H]2C)C1 ZINC001179388975 1386472354 /nfs/dbraw/zinc/47/23/54/1386472354.db2.gz VYDBSDJELLWTRH-WDSOQIARSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccc(C[N@H+](C)CCN(C)C(=O)CC[NH+]2CCCCC2)c(C)c1 ZINC001320090822 1386504522 /nfs/dbraw/zinc/50/45/22/1386504522.db2.gz PWGMLJXOGMQWBH-UHFFFAOYSA-N 2 1 345.531 3.070 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H]1C ZINC001179534727 1386509228 /nfs/dbraw/zinc/50/92/28/1386509228.db2.gz SRQASSTWNRFZPD-LNLFQRSKSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179580898 1386522266 /nfs/dbraw/zinc/52/22/66/1386522266.db2.gz VBQCFLFCIJSBGE-GOSISDBHSA-N 2 1 337.552 3.317 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001179587296 1386523784 /nfs/dbraw/zinc/52/37/84/1386523784.db2.gz YCSXPGUDXFAYMO-AEFFLSMTSA-N 2 1 348.535 3.066 20 0 EGADMP CCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001179590242 1386525275 /nfs/dbraw/zinc/52/52/75/1386525275.db2.gz FIIIJSHRECCQJP-ZWKOTPCHSA-N 2 1 325.541 3.031 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCCCCC[NH2+]C/C=C\Cl ZINC001179714560 1386563223 /nfs/dbraw/zinc/56/32/23/1386563223.db2.gz ZRIBGGGEVDAUIW-FPLPWBNLSA-N 2 1 340.899 3.025 20 0 EGADMP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)[C@H]1C ZINC001179748542 1386571180 /nfs/dbraw/zinc/57/11/80/1386571180.db2.gz BKFYEUSEKUOAHM-NNIASQDCSA-N 2 1 337.552 3.434 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCCCCC[NH2+]CCC(C)C ZINC001179823944 1386597474 /nfs/dbraw/zinc/59/74/74/1386597474.db2.gz JKLXIFPOICTRFW-UHFFFAOYSA-N 2 1 336.524 3.284 20 0 EGADMP CC[C@H]([NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C)c1ccccc1 ZINC001179852702 1386607547 /nfs/dbraw/zinc/60/75/47/1386607547.db2.gz YZNXYJQIGXBBQY-WDSOQIARSA-N 2 1 331.504 3.059 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001179988953 1386660211 /nfs/dbraw/zinc/66/02/11/1386660211.db2.gz RDPXXPIWXHJHQN-UHFFFAOYSA-N 2 1 347.547 3.411 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCCCCCC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001180060685 1386683684 /nfs/dbraw/zinc/68/36/84/1386683684.db2.gz LNDBBVLTXBPBPV-SFHVURJKSA-N 2 1 349.563 3.175 20 0 EGADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)CS1 ZINC001320719003 1386700688 /nfs/dbraw/zinc/70/06/88/1386700688.db2.gz KQKCGUJDMUPNKG-PMACEKPBSA-N 2 1 347.572 3.054 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001180274585 1386752084 /nfs/dbraw/zinc/75/20/84/1386752084.db2.gz LGFIYZAPSXZSBS-UHFFFAOYSA-N 2 1 334.508 3.038 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1coc2ccccc12 ZINC001181485907 1387002278 /nfs/dbraw/zinc/00/22/78/1387002278.db2.gz KZBSMQKYMAIRKV-GOSISDBHSA-N 2 1 329.488 3.281 20 0 EGADMP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001181793667 1387056476 /nfs/dbraw/zinc/05/64/76/1387056476.db2.gz YYRWGTZYDSQLJK-RFVVQAKJSA-N 2 1 349.563 3.291 20 0 EGADMP Cc1cc(C)c(C[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c(C)c1 ZINC001322183393 1387093043 /nfs/dbraw/zinc/09/30/43/1387093043.db2.gz QUQLRNPKDRNJJG-ICSRJNTNSA-N 2 1 347.547 3.135 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC001322393452 1387178379 /nfs/dbraw/zinc/17/83/79/1387178379.db2.gz XJLZVXGRQINJLJ-ZSYWTGECSA-N 2 1 335.536 3.115 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001322393452 1387178382 /nfs/dbraw/zinc/17/83/82/1387178382.db2.gz XJLZVXGRQINJLJ-ZSYWTGECSA-N 2 1 335.536 3.115 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001322393452 1387178386 /nfs/dbraw/zinc/17/83/86/1387178386.db2.gz XJLZVXGRQINJLJ-ZSYWTGECSA-N 2 1 335.536 3.115 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182589947 1387192749 /nfs/dbraw/zinc/19/27/49/1387192749.db2.gz LIGFUQYRAVDMCL-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC001322634606 1387216901 /nfs/dbraw/zinc/21/69/01/1387216901.db2.gz VIEGMPPRWDCUHI-ROUUACIJSA-N 3 1 333.520 3.010 20 0 EGADMP CC[N@@H+]1CCC[C@@H](CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC001322634606 1387216904 /nfs/dbraw/zinc/21/69/04/1387216904.db2.gz VIEGMPPRWDCUHI-ROUUACIJSA-N 2 1 333.520 3.010 20 0 EGADMP CC[N@H+]1CCC[C@@H](CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC001322634606 1387216907 /nfs/dbraw/zinc/21/69/07/1387216907.db2.gz VIEGMPPRWDCUHI-ROUUACIJSA-N 2 1 333.520 3.010 20 0 EGADMP CCN1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC001322634606 1387216912 /nfs/dbraw/zinc/21/69/12/1387216912.db2.gz VIEGMPPRWDCUHI-ROUUACIJSA-N 2 1 333.520 3.010 20 0 EGADMP CC(C)CC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001182775735 1387222718 /nfs/dbraw/zinc/22/27/18/1387222718.db2.gz OPMBEFGFFWYEGB-YLJYHZDGSA-N 2 1 348.535 3.127 20 0 EGADMP CC[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001182896841 1387241736 /nfs/dbraw/zinc/24/17/36/1387241736.db2.gz GRZPWESRSWAQMK-MBOZVWFJSA-N 2 1 348.535 3.092 20 0 EGADMP O=C(CC[N@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1cccc(Cl)c1 ZINC001329491584 1389130886 /nfs/dbraw/zinc/13/08/86/1389130886.db2.gz UZMDMUAHTFVCCI-UHFFFAOYSA-N 2 1 335.879 3.134 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc(CC(F)(F)F)s3)C[C@@H]2C1 ZINC001336889349 1389197518 /nfs/dbraw/zinc/19/75/18/1389197518.db2.gz SLJNQCLXICCDJN-FRRDWIJNSA-N 2 1 347.450 3.410 20 0 EGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(-c2cnn(C)c2)cc1 ZINC001329833492 1389233809 /nfs/dbraw/zinc/23/38/09/1389233809.db2.gz IEQLXFULSSVQJS-UHFFFAOYSA-N 2 1 326.488 3.395 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(-c2cnn(C)c2)cc1 ZINC001329833492 1389233812 /nfs/dbraw/zinc/23/38/12/1389233812.db2.gz IEQLXFULSSVQJS-UHFFFAOYSA-N 2 1 326.488 3.395 20 0 EGADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cnc1F ZINC001337793369 1389445184 /nfs/dbraw/zinc/44/51/84/1389445184.db2.gz YYFMAOICUYMCLI-SFHVURJKSA-N 2 1 327.447 3.183 20 0 EGADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cnc1F ZINC001337793369 1389445189 /nfs/dbraw/zinc/44/51/89/1389445189.db2.gz YYFMAOICUYMCLI-SFHVURJKSA-N 2 1 327.447 3.183 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001331028281 1389601331 /nfs/dbraw/zinc/60/13/31/1389601331.db2.gz DVCSXZUWPJBAKR-QGZVFWFLSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@@H](C)C[NH+](C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001331028281 1389601335 /nfs/dbraw/zinc/60/13/35/1389601335.db2.gz DVCSXZUWPJBAKR-QGZVFWFLSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@@H](C)C[NH+](C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001331028281 1389601336 /nfs/dbraw/zinc/60/13/36/1389601336.db2.gz DVCSXZUWPJBAKR-QGZVFWFLSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)cc(C)c1 ZINC001698749550 1406400636 /nfs/dbraw/zinc/40/06/36/1406400636.db2.gz WCSLRTPJUQXWSN-UYAOXDASSA-N 2 1 345.531 3.020 20 0 EGADMP Cc1cccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C2)c1 ZINC001332031240 1389952407 /nfs/dbraw/zinc/95/24/07/1389952407.db2.gz WULBNCPQBJIHGE-HKUYNNGSSA-N 2 1 345.531 3.052 20 0 EGADMP Cc1cccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C2)c1 ZINC001332031245 1389952462 /nfs/dbraw/zinc/95/24/62/1389952462.db2.gz WULBNCPQBJIHGE-MJGOQNOKSA-N 2 1 345.531 3.052 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1OC ZINC001332359289 1390095854 /nfs/dbraw/zinc/09/58/54/1390095854.db2.gz LXQWOBANIZNGQE-UHFFFAOYSA-N 2 1 332.488 3.450 20 0 EGADMP CC[C@@H](C(=O)NCC1=CC[N@@H+](CCC2CCCCC2)CC1)[NH+](C)C ZINC001333433321 1390303733 /nfs/dbraw/zinc/30/37/33/1390303733.db2.gz MODNQEMDJZOYEZ-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCSCCC[NH3+])cc2)C1 ZINC001340802237 1390371328 /nfs/dbraw/zinc/37/13/28/1390371328.db2.gz FBKNXDNXHSWULD-INIZCTEOSA-N 2 1 349.544 3.329 20 0 EGADMP C[C@@H]1C[NH2+]C[C@H]1CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001341553699 1390501278 /nfs/dbraw/zinc/50/12/78/1390501278.db2.gz SSYLNKUUICTWCF-SOLBZPMBSA-N 2 1 329.488 3.245 20 0 EGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC001334309359 1390514790 /nfs/dbraw/zinc/51/47/90/1390514790.db2.gz SNFWIQPPFPBRGT-SLFFLAALSA-N 2 1 343.515 3.098 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(C)c1OC ZINC001334355203 1390523940 /nfs/dbraw/zinc/52/39/40/1390523940.db2.gz AMHSTIMPSJPRJQ-RCCFBDPRSA-N 2 1 332.488 3.174 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cn3ccc(-c4ccc(F)cc4)n3)C[C@H]2C1 ZINC001334723474 1390574771 /nfs/dbraw/zinc/57/47/71/1390574771.db2.gz DYDJNFLTJHMZFU-YQVWRLOYSA-N 2 1 342.462 3.309 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001335430097 1390683802 /nfs/dbraw/zinc/68/38/02/1390683802.db2.gz KTHUQTPSIBLHAP-CJNGLKHVSA-N 2 1 330.394 3.060 20 0 EGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001343333054 1390707619 /nfs/dbraw/zinc/70/76/19/1390707619.db2.gz MGKGPYWCJVUAAY-RCCFBDPRSA-N 2 1 332.536 3.417 20 0 EGADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1OC ZINC001343334534 1390707850 /nfs/dbraw/zinc/70/78/50/1390707850.db2.gz UBHRUJBYBVDNGX-CGTJXYLNSA-N 2 1 332.488 3.174 20 0 EGADMP Cc1c(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001348023469 1391161503 /nfs/dbraw/zinc/16/15/03/1391161503.db2.gz INISZLKZLPJTMB-SFHVURJKSA-N 2 1 335.407 3.074 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cc(F)ccc1OC ZINC001352087867 1391757380 /nfs/dbraw/zinc/75/73/80/1391757380.db2.gz DGWQXNVTWOTQFF-KRWDZBQOSA-N 2 1 338.467 3.110 20 0 EGADMP C[C@@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001698845701 1406546294 /nfs/dbraw/zinc/54/62/94/1406546294.db2.gz NLNNGXRLXOMBNI-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001479907141 1392474345 /nfs/dbraw/zinc/47/43/45/1392474345.db2.gz LJEKHGPDEBLNDV-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001479907141 1392474346 /nfs/dbraw/zinc/47/43/46/1392474346.db2.gz LJEKHGPDEBLNDV-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001479907141 1392474348 /nfs/dbraw/zinc/47/43/48/1392474348.db2.gz LJEKHGPDEBLNDV-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001480709978 1392872042 /nfs/dbraw/zinc/87/20/42/1392872042.db2.gz UGOPXRFUDHPZJP-OALUTQOASA-N 2 1 349.494 3.015 20 0 EGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480849345 1392981795 /nfs/dbraw/zinc/98/17/95/1392981795.db2.gz WPLLEVPKVCXTQZ-APWZRJJASA-N 2 1 345.531 3.187 20 0 EGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480849345 1392981797 /nfs/dbraw/zinc/98/17/97/1392981797.db2.gz WPLLEVPKVCXTQZ-APWZRJJASA-N 2 1 345.531 3.187 20 0 EGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001480849345 1392981802 /nfs/dbraw/zinc/98/18/02/1392981802.db2.gz WPLLEVPKVCXTQZ-APWZRJJASA-N 2 1 345.531 3.187 20 0 EGADMP CC[C@@H](C(=O)NCC[N@@H+](C)CC1CCC(C(C)(C)C)CC1)[NH+](C)C ZINC001480936529 1393031601 /nfs/dbraw/zinc/03/16/01/1393031601.db2.gz IDQYQWVGVLWCIZ-ABHNRTSZSA-N 2 1 339.568 3.227 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)CC1CCCCC1 ZINC001480984978 1393067098 /nfs/dbraw/zinc/06/70/98/1393067098.db2.gz FJBLKKYRCJGVBC-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)CC1CCCCC1 ZINC001480984978 1393067101 /nfs/dbraw/zinc/06/71/01/1393067101.db2.gz FJBLKKYRCJGVBC-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C)CC1CCCCC1 ZINC001480984978 1393067104 /nfs/dbraw/zinc/06/71/04/1393067104.db2.gz FJBLKKYRCJGVBC-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccccc1C(C)C ZINC001480998008 1393076870 /nfs/dbraw/zinc/07/68/70/1393076870.db2.gz PBXSGRCYSUUXBT-UHFFFAOYSA-N 2 1 345.531 3.090 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001481066058 1393111298 /nfs/dbraw/zinc/11/12/98/1393111298.db2.gz UISRTFNAZZYLLH-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC001481066058 1393111299 /nfs/dbraw/zinc/11/12/99/1393111299.db2.gz UISRTFNAZZYLLH-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCN(C)C(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001481216299 1393150323 /nfs/dbraw/zinc/15/03/23/1393150323.db2.gz XKKCGVFIYUQVSB-VQIMIIECSA-N 2 1 331.504 3.013 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C[NH2+]C(C)C)C1CCCCC1 ZINC001698885371 1406618305 /nfs/dbraw/zinc/61/83/05/1406618305.db2.gz YVAJFKTZRDDAKN-SFHVURJKSA-N 2 1 334.508 3.035 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](CC)c1ccccc1 ZINC001481386097 1394224647 /nfs/dbraw/zinc/22/46/47/1394224647.db2.gz OCHJFVFISJXRKP-HSALFYBXSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](CC)c1ccccc1 ZINC001481386097 1394224649 /nfs/dbraw/zinc/22/46/49/1394224649.db2.gz OCHJFVFISJXRKP-HSALFYBXSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](CC)c1ccccc1 ZINC001481386097 1394224653 /nfs/dbraw/zinc/22/46/53/1394224653.db2.gz OCHJFVFISJXRKP-HSALFYBXSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)CCC2CCCC2)C1 ZINC001490778939 1394343221 /nfs/dbraw/zinc/34/32/21/1394343221.db2.gz YNLIOWSQIDGICQ-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H](C[N@H+](C)CCC2CCCC2)C1 ZINC001490778939 1394343228 /nfs/dbraw/zinc/34/32/28/1394343228.db2.gz YNLIOWSQIDGICQ-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H](C[N@@H+](C)CCC2CCCC2)C1 ZINC001490778939 1394343233 /nfs/dbraw/zinc/34/32/33/1394343233.db2.gz YNLIOWSQIDGICQ-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@H]1CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001481779679 1394525411 /nfs/dbraw/zinc/52/54/11/1394525411.db2.gz WFKUQMNGGZYQIQ-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001481839959 1394553713 /nfs/dbraw/zinc/55/37/13/1394553713.db2.gz HMBVEHMAOFGZIY-RTBURBONSA-N 2 1 345.531 3.063 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCC1 ZINC001482226939 1394820958 /nfs/dbraw/zinc/82/09/58/1394820958.db2.gz BBDVKLRDNGZYNY-MSOLQXFVSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CC2CCC2)CC1 ZINC001482504312 1395057718 /nfs/dbraw/zinc/05/77/18/1395057718.db2.gz ICXMIBYVUCWHMA-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CC2CCC2)CC1 ZINC001482504312 1395057722 /nfs/dbraw/zinc/05/77/22/1395057722.db2.gz ICXMIBYVUCWHMA-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CC2CCC2)CC1 ZINC001482504312 1395057728 /nfs/dbraw/zinc/05/77/28/1395057728.db2.gz ICXMIBYVUCWHMA-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)C[C@H]1C ZINC001483917295 1395144233 /nfs/dbraw/zinc/14/42/33/1395144233.db2.gz VFBQJGHLPDVNCI-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@@]2(C)CCC[N@@H+](CCCC3CCC3)C2)CCC1 ZINC001484159458 1395294965 /nfs/dbraw/zinc/29/49/65/1395294965.db2.gz AZBGFIXRFVXEMN-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001484757667 1395509324 /nfs/dbraw/zinc/50/93/24/1395509324.db2.gz QYCBRHICBVQMGZ-MRXNPFEDSA-N 2 1 349.494 3.009 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001484983678 1395624395 /nfs/dbraw/zinc/62/43/95/1395624395.db2.gz XBSXMQOEBNJBAL-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001484983678 1395624399 /nfs/dbraw/zinc/62/43/99/1395624399.db2.gz XBSXMQOEBNJBAL-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001484983678 1395624413 /nfs/dbraw/zinc/62/44/13/1395624413.db2.gz XBSXMQOEBNJBAL-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)CC1(C)C)[NH+](C)C ZINC001485583137 1396058946 /nfs/dbraw/zinc/05/89/46/1396058946.db2.gz YMXHEPHBCSLQEK-SJORKVTESA-N 2 1 339.568 3.226 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CC2CCCCCC2)C1 ZINC001491959888 1396301041 /nfs/dbraw/zinc/30/10/41/1396301041.db2.gz QLPQQDSUDSEQRU-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)CC2CCCCCC2)C1 ZINC001491959888 1396301042 /nfs/dbraw/zinc/30/10/42/1396301042.db2.gz QLPQQDSUDSEQRU-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC001491959888 1396301043 /nfs/dbraw/zinc/30/10/43/1396301043.db2.gz QLPQQDSUDSEQRU-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP O=C(NCC1([NH2+]CC2CCC2)CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001495918833 1396572205 /nfs/dbraw/zinc/57/22/05/1396572205.db2.gz LSOFXTQTHPADBY-IBGZPJMESA-N 2 1 347.547 3.212 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001498454718 1397000898 /nfs/dbraw/zinc/00/08/98/1397000898.db2.gz DRNQLOUPWGMEMW-OALUTQOASA-N 2 1 345.531 3.369 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001690388751 1404525263 /nfs/dbraw/zinc/52/52/63/1404525263.db2.gz PCDYNAXPIOTWQH-UYAOXDASSA-N 2 1 345.531 3.308 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)Cc1c(C)cc(C)cc1C ZINC001691000565 1404917735 /nfs/dbraw/zinc/91/77/35/1404917735.db2.gz LEGFPGIYUCHJDJ-FQEVSTJZSA-N 2 1 345.531 3.034 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)Cc1c(C)cc(C)cc1C ZINC001691000565 1404917739 /nfs/dbraw/zinc/91/77/39/1404917739.db2.gz LEGFPGIYUCHJDJ-FQEVSTJZSA-N 2 1 345.531 3.034 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)Cc1c(C)cc(C)cc1C ZINC001691000565 1404917744 /nfs/dbraw/zinc/91/77/44/1404917744.db2.gz LEGFPGIYUCHJDJ-FQEVSTJZSA-N 2 1 345.531 3.034 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CC1CCC(C)(C)CC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001691056420 1404977238 /nfs/dbraw/zinc/97/72/38/1404977238.db2.gz YXERPQBGBIAGTH-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001691172459 1405107898 /nfs/dbraw/zinc/10/78/98/1405107898.db2.gz GFSTYCBCAOGCLF-SZMVWBNQSA-N 2 1 346.519 3.043 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC1CCCC1)C1CC1 ZINC001691209037 1405149257 /nfs/dbraw/zinc/14/92/57/1405149257.db2.gz ORTYFHDZKZZNKE-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC1CCCC1)C1CC1 ZINC001691209037 1405149260 /nfs/dbraw/zinc/14/92/60/1405149260.db2.gz ORTYFHDZKZZNKE-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC1CCCC1)C1CC1 ZINC001691209037 1405149263 /nfs/dbraw/zinc/14/92/63/1405149263.db2.gz ORTYFHDZKZZNKE-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001691406822 1405244327 /nfs/dbraw/zinc/24/43/27/1405244327.db2.gz RWIHTFFHRYDBBX-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001691406822 1405244331 /nfs/dbraw/zinc/24/43/31/1405244331.db2.gz RWIHTFFHRYDBBX-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CCC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@H](C)c1ccccc1F ZINC001691409289 1405246556 /nfs/dbraw/zinc/24/65/56/1405246556.db2.gz AWWPHIDCSAZJNM-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@H](C)c1ccccc1F ZINC001691409289 1405246559 /nfs/dbraw/zinc/24/65/59/1405246559.db2.gz AWWPHIDCSAZJNM-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)c1ccccc1F ZINC001691409289 1405246561 /nfs/dbraw/zinc/24/65/61/1405246561.db2.gz AWWPHIDCSAZJNM-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)c1ccccc1F ZINC001691409289 1405246566 /nfs/dbraw/zinc/24/65/66/1405246566.db2.gz AWWPHIDCSAZJNM-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC(C)(C)CC1 ZINC001691830984 1405545220 /nfs/dbraw/zinc/54/52/20/1405545220.db2.gz BDAACUAABIRTJL-KDURUIRLSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731770419 1427881835 /nfs/dbraw/zinc/88/18/35/1427881835.db2.gz VMSDDLRPAVUIDX-SFHVURJKSA-N 2 1 345.531 3.369 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001698549140 1406146873 /nfs/dbraw/zinc/14/68/73/1406146873.db2.gz ASQZTWBUDDBYJO-QUCCMNQESA-N 2 1 343.515 3.123 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001732042654 1428275115 /nfs/dbraw/zinc/27/51/15/1428275115.db2.gz WTUTXOCGPPEXCK-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001732042654 1428275118 /nfs/dbraw/zinc/27/51/18/1428275118.db2.gz WTUTXOCGPPEXCK-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001732055588 1428299265 /nfs/dbraw/zinc/29/92/65/1428299265.db2.gz ZCPRFHHFEWFZID-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001732154203 1428397357 /nfs/dbraw/zinc/39/73/57/1428397357.db2.gz FTRPXMNXMXHCNL-QRVBRYPASA-N 2 1 349.494 3.054 20 0 EGADMP Cc1cc(C[NH2+]CC2(NC(=O)C[N@H+](C)C3CCC3)CCCC2)cs1 ZINC001732232006 1428478754 /nfs/dbraw/zinc/47/87/54/1428478754.db2.gz XVHHIXFWMYSLGT-UHFFFAOYSA-N 2 1 349.544 3.059 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(C[NH+](CCCC(C)(C)C)C2)CC1 ZINC001732403245 1428567917 /nfs/dbraw/zinc/56/79/17/1428567917.db2.gz OJSPODFCOQMHEL-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)c1ccccc1C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001699380719 1412690236 /nfs/dbraw/zinc/69/02/36/1412690236.db2.gz ZLZTVYWRSSTCLE-QGZVFWFLSA-N 2 1 347.547 3.382 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCC1([NH2+]CCC2CCCC2)CC1)c1ccccc1 ZINC001699675257 1413068591 /nfs/dbraw/zinc/06/85/91/1413068591.db2.gz FJGOPSZINSYPDE-LJQANCHMSA-N 2 1 343.515 3.108 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC1CC1)C1CCCCCC1 ZINC001699684272 1413080471 /nfs/dbraw/zinc/08/04/71/1413080471.db2.gz YGIBAGYEVOZYSB-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC1CC1)C1CCCCCC1 ZINC001699684272 1413080475 /nfs/dbraw/zinc/08/04/75/1413080475.db2.gz YGIBAGYEVOZYSB-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC1CC1)C1CCCCCC1 ZINC001699684272 1413080480 /nfs/dbraw/zinc/08/04/80/1413080480.db2.gz YGIBAGYEVOZYSB-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@@H]1C ZINC001699738032 1413148993 /nfs/dbraw/zinc/14/89/93/1413148993.db2.gz JNKUEBYWKIQWFZ-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001699825907 1413251169 /nfs/dbraw/zinc/25/11/69/1413251169.db2.gz JZYWEWNYNSQAOG-TZIWHRDSSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+]([C@H](CC)c2ccccc2)C1 ZINC001699825907 1413251171 /nfs/dbraw/zinc/25/11/71/1413251171.db2.gz JZYWEWNYNSQAOG-TZIWHRDSSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC001699825907 1413251172 /nfs/dbraw/zinc/25/11/72/1413251172.db2.gz JZYWEWNYNSQAOG-TZIWHRDSSA-N 2 1 345.531 3.450 20 0 EGADMP CC(C)[N@H+]1CCC[C@](C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001699872823 1413323493 /nfs/dbraw/zinc/32/34/93/1413323493.db2.gz GIXDKXWVZZVJIL-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CCCC1CCC1 ZINC001700314438 1413770423 /nfs/dbraw/zinc/77/04/23/1413770423.db2.gz SZTLFWFXHBZMTN-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CCCC1CCC1 ZINC001700314438 1413770427 /nfs/dbraw/zinc/77/04/27/1413770427.db2.gz SZTLFWFXHBZMTN-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CCCC1CCC1 ZINC001700314438 1413770433 /nfs/dbraw/zinc/77/04/33/1413770433.db2.gz SZTLFWFXHBZMTN-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1CCCC1CCC1 ZINC001700323790 1413791287 /nfs/dbraw/zinc/79/12/87/1413791287.db2.gz MJURHXYLSFFWJS-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP Cc1cc(C)cc(C[N@H+](C)C[C@H]2CCCN2C(=O)CCC[NH+](C)C)c1 ZINC001700357477 1413863271 /nfs/dbraw/zinc/86/32/71/1413863271.db2.gz OGKUQDWVPKMQBV-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)[C@H](C)c1ccc(F)cc1 ZINC001700365004 1413886992 /nfs/dbraw/zinc/88/69/92/1413886992.db2.gz SZZVSNNNDHLMLY-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001700365004 1413886995 /nfs/dbraw/zinc/88/69/95/1413886995.db2.gz SZZVSNNNDHLMLY-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001700365004 1413886998 /nfs/dbraw/zinc/88/69/98/1413886998.db2.gz SZZVSNNNDHLMLY-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@@H]([NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)C(C)C)c1ccccc1 ZINC001732571141 1428766718 /nfs/dbraw/zinc/76/67/18/1428766718.db2.gz YDCXMWRMEUVNSV-MOPGFXCFSA-N 2 1 342.487 3.073 20 0 EGADMP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)[C@H](C)c1cccc(F)c1 ZINC001700487721 1414135672 /nfs/dbraw/zinc/13/56/72/1414135672.db2.gz NQZFCGKHSRPTPB-IAGOWNOFSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001700555196 1414225134 /nfs/dbraw/zinc/22/51/34/1414225134.db2.gz PKRNGKVMNSTFGR-QZTJIDSGSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1ccccc1C ZINC001732582799 1428791452 /nfs/dbraw/zinc/79/14/52/1428791452.db2.gz ZXRYXWUHRWXGCF-UYAOXDASSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)[C@H](C)c1ccccc1C ZINC001732582799 1428791455 /nfs/dbraw/zinc/79/14/55/1428791455.db2.gz ZXRYXWUHRWXGCF-UYAOXDASSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccccc1C ZINC001732582799 1428791459 /nfs/dbraw/zinc/79/14/59/1428791459.db2.gz ZXRYXWUHRWXGCF-UYAOXDASSA-N 2 1 345.531 3.321 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CCC[NH+]([C@@H](C)c1ccccc1)C2 ZINC001700620979 1414290643 /nfs/dbraw/zinc/29/06/43/1414290643.db2.gz FYYCLSDEAXEGOK-SFHVURJKSA-N 2 1 343.515 3.014 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC2(C1)CCC[N@@H+]([C@@H](C)c1ccccc1)C2 ZINC001700620979 1414290645 /nfs/dbraw/zinc/29/06/45/1414290645.db2.gz FYYCLSDEAXEGOK-SFHVURJKSA-N 2 1 343.515 3.014 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+]([C@@H](C)c1ccccc1)C2 ZINC001700620979 1414290648 /nfs/dbraw/zinc/29/06/48/1414290648.db2.gz FYYCLSDEAXEGOK-SFHVURJKSA-N 2 1 343.515 3.014 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001700802028 1414468405 /nfs/dbraw/zinc/46/84/05/1414468405.db2.gz SLXGGJBOXRIZGP-SJORKVTESA-N 2 1 345.531 3.015 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@H]21 ZINC001732604502 1428856861 /nfs/dbraw/zinc/85/68/61/1428856861.db2.gz BSXLPYDQRHZBPV-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713130807 1417703866 /nfs/dbraw/zinc/70/38/66/1417703866.db2.gz PTMIPUAEVYKDSC-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001713219215 1417799831 /nfs/dbraw/zinc/79/98/31/1417799831.db2.gz LFGNCZDVYPVPCN-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@H]1C[NH2+]CCC(C)C ZINC001713262378 1417870985 /nfs/dbraw/zinc/87/09/85/1417870985.db2.gz HGLZPIYRROYPKY-ROUUACIJSA-N 2 1 348.535 3.413 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)Cc1ccccc1 ZINC001713497573 1418209719 /nfs/dbraw/zinc/20/97/19/1418209719.db2.gz RSFVLAPNEUFKOG-HXUWFJFHSA-N 2 1 345.531 3.135 20 0 EGADMP C[NH+]1CCC(CC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCCC2)CC1 ZINC001713515632 1418251330 /nfs/dbraw/zinc/25/13/30/1418251330.db2.gz YGNWMSQFFQLLDU-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001713734484 1418526179 /nfs/dbraw/zinc/52/61/79/1418526179.db2.gz IWDHFRLOCRMNPP-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001713794502 1418614595 /nfs/dbraw/zinc/61/45/95/1418614595.db2.gz YVFGPDRZLSZTIO-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001713804934 1418617541 /nfs/dbraw/zinc/61/75/41/1418617541.db2.gz UOIAXYPIEQDQAS-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001713838378 1418635677 /nfs/dbraw/zinc/63/56/77/1418635677.db2.gz GAKBJICOWULAJP-PMACEKPBSA-N 2 1 343.515 3.204 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001714036010 1418824407 /nfs/dbraw/zinc/82/44/07/1418824407.db2.gz PKXSWWGEACUGKR-ROUUACIJSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001714036010 1418824410 /nfs/dbraw/zinc/82/44/10/1418824410.db2.gz PKXSWWGEACUGKR-ROUUACIJSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001714036010 1418824412 /nfs/dbraw/zinc/82/44/12/1418824412.db2.gz PKXSWWGEACUGKR-ROUUACIJSA-N 2 1 343.515 3.060 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](C)[NH2+][C@H](C)c1ccccc1C ZINC001714283376 1419063193 /nfs/dbraw/zinc/06/31/93/1419063193.db2.gz FUQZWNMKFCDRFK-IAGOWNOFSA-N 2 1 342.487 3.136 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001714289452 1419068043 /nfs/dbraw/zinc/06/80/43/1419068043.db2.gz KDMTVXKOTWNHBU-IAGOWNOFSA-N 2 1 347.547 3.481 20 0 EGADMP CCC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C1CCCCC1)CC2 ZINC001714365058 1419125384 /nfs/dbraw/zinc/12/53/84/1419125384.db2.gz DRZHOLOLWUKLOJ-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[NH+]1CCC2(C1)CCN(C(=O)CC[N@H+](C)C1CCCCC1)CC2 ZINC001714365058 1419125387 /nfs/dbraw/zinc/12/53/87/1419125387.db2.gz DRZHOLOLWUKLOJ-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[NH+]1CCC2(C1)CCN(C(=O)CC[N@@H+](C)C1CCCCC1)CC2 ZINC001714365058 1419125388 /nfs/dbraw/zinc/12/53/88/1419125388.db2.gz DRZHOLOLWUKLOJ-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[N@H+]1CCC2(C1)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)CC2 ZINC001714366506 1419126159 /nfs/dbraw/zinc/12/61/59/1419126159.db2.gz PQWWYGRTPFKUCU-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)[C@H](C)c1ccccc1 ZINC001714587151 1419330170 /nfs/dbraw/zinc/33/01/70/1419330170.db2.gz OGZAMWQTFXEKJD-UYAOXDASSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[C@H](C)c1ccccc1 ZINC001714587151 1419330176 /nfs/dbraw/zinc/33/01/76/1419330176.db2.gz OGZAMWQTFXEKJD-UYAOXDASSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C)[C@H](C)c1ccccc1 ZINC001714587151 1419330178 /nfs/dbraw/zinc/33/01/78/1419330178.db2.gz OGZAMWQTFXEKJD-UYAOXDASSA-N 2 1 345.531 3.306 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@@H]2CNC(=O)CC[NH+]2CCCCC2)cs1 ZINC001714626065 1419396231 /nfs/dbraw/zinc/39/62/31/1419396231.db2.gz WOOMOFWHRUXBML-GOSISDBHSA-N 2 1 349.544 3.013 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC001714777910 1419504720 /nfs/dbraw/zinc/50/47/20/1419504720.db2.gz RZLVAVKLLUYQCV-IAGOWNOFSA-N 2 1 342.487 3.204 20 0 EGADMP CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001714861214 1419583135 /nfs/dbraw/zinc/58/31/35/1419583135.db2.gz OMFSMBYDSLWTHZ-LJQANCHMSA-N 2 1 349.494 3.034 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC1([NH2+]CC2CC(C)C2)CCCC1 ZINC001715306725 1420015319 /nfs/dbraw/zinc/01/53/19/1420015319.db2.gz FASLQNBMFSOUMX-UHFFFAOYSA-N 2 1 346.519 3.036 20 0 EGADMP C[C@@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001715457434 1420138479 /nfs/dbraw/zinc/13/84/79/1420138479.db2.gz PMKCCKJEQXRYMB-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001715479275 1420157617 /nfs/dbraw/zinc/15/76/17/1420157617.db2.gz ZNDIERJOOZWZQD-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001715479275 1420157618 /nfs/dbraw/zinc/15/76/18/1420157618.db2.gz ZNDIERJOOZWZQD-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001715479275 1420157619 /nfs/dbraw/zinc/15/76/19/1420157619.db2.gz ZNDIERJOOZWZQD-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1ccccc1C[NH2+][C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C(C)C ZINC001715502564 1420185352 /nfs/dbraw/zinc/18/53/52/1420185352.db2.gz QDLFPMNOADVVPC-LJQANCHMSA-N 2 1 347.547 3.203 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CC2CCCCCC2)C1 ZINC001715548339 1420244804 /nfs/dbraw/zinc/24/48/04/1420244804.db2.gz KXKCNYWPLCZEPR-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCCCCC2)C1 ZINC001715548339 1420244808 /nfs/dbraw/zinc/24/48/08/1420244808.db2.gz KXKCNYWPLCZEPR-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCCCCC2)C1 ZINC001715548339 1420244809 /nfs/dbraw/zinc/24/48/09/1420244809.db2.gz KXKCNYWPLCZEPR-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001716040951 1420502252 /nfs/dbraw/zinc/50/22/52/1420502252.db2.gz KIHQFRPWIKNZFB-FXAWDEMLSA-N 2 1 345.531 3.306 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CCCC(C)(C)C)C1)C1CCC1 ZINC001716048507 1420512315 /nfs/dbraw/zinc/51/23/15/1420512315.db2.gz AWWLMCUKIIKIEK-PKOBYXMFSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCC(C)(C)C)C1)C1CCC1 ZINC001716048507 1420512318 /nfs/dbraw/zinc/51/23/18/1420512318.db2.gz AWWLMCUKIIKIEK-PKOBYXMFSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCCC(C)(C)C)C1)C1CCC1 ZINC001716048507 1420512319 /nfs/dbraw/zinc/51/23/19/1420512319.db2.gz AWWLMCUKIIKIEK-PKOBYXMFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716478277 1420693435 /nfs/dbraw/zinc/69/34/35/1420693435.db2.gz PXFFLAOJFDQMOJ-MSOLQXFVSA-N 2 1 339.568 3.370 20 0 EGADMP C[C@H](C[N@@H+](C)[C@H](C)c1ccccc1Cl)NC(=O)CCC[NH+](C)C ZINC001716492792 1420715016 /nfs/dbraw/zinc/71/50/16/1420715016.db2.gz WQONCANOMPEJMK-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@H](C)c1cccc(Cl)c1 ZINC001716500828 1420726964 /nfs/dbraw/zinc/72/69/64/1420726964.db2.gz KYJWLVXBLICHMK-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001716500828 1420726965 /nfs/dbraw/zinc/72/69/65/1420726965.db2.gz KYJWLVXBLICHMK-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001716500828 1420726966 /nfs/dbraw/zinc/72/69/66/1420726966.db2.gz KYJWLVXBLICHMK-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CC(C)[N@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001716725042 1420883520 /nfs/dbraw/zinc/88/35/20/1420883520.db2.gz RCLJLZOKQRYTSN-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001716730605 1420888838 /nfs/dbraw/zinc/88/88/38/1420888838.db2.gz ATIPTTDECXMXFM-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001716850976 1420981518 /nfs/dbraw/zinc/98/15/18/1420981518.db2.gz TUAHQADOAISUCJ-OAQYLSRUSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001716850976 1420981520 /nfs/dbraw/zinc/98/15/20/1420981520.db2.gz TUAHQADOAISUCJ-OAQYLSRUSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001716850976 1420981522 /nfs/dbraw/zinc/98/15/22/1420981522.db2.gz TUAHQADOAISUCJ-OAQYLSRUSA-N 2 1 345.531 3.116 20 0 EGADMP CC1(CNC(=O)CCc2cnc[nH]2)CC[NH+](CCCC2CCC2)CC1 ZINC001716885517 1421008954 /nfs/dbraw/zinc/00/89/54/1421008954.db2.gz TWHFSTAZUWNPFX-UHFFFAOYSA-N 2 1 346.519 3.141 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001717203168 1421172351 /nfs/dbraw/zinc/17/23/51/1421172351.db2.gz LRLHEOIKLBBXAT-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001717203168 1421172352 /nfs/dbraw/zinc/17/23/52/1421172352.db2.gz LRLHEOIKLBBXAT-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001717203168 1421172353 /nfs/dbraw/zinc/17/23/53/1421172353.db2.gz LRLHEOIKLBBXAT-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001717203168 1421172354 /nfs/dbraw/zinc/17/23/54/1421172354.db2.gz LRLHEOIKLBBXAT-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CCCCC2)CC1(C)C ZINC001717312335 1421257782 /nfs/dbraw/zinc/25/77/82/1421257782.db2.gz RWGSGEFVOAKEOE-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC2CCCCC2)CC1(C)C ZINC001717312335 1421257785 /nfs/dbraw/zinc/25/77/85/1421257785.db2.gz RWGSGEFVOAKEOE-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)CC1(C)C ZINC001717312335 1421257788 /nfs/dbraw/zinc/25/77/88/1421257788.db2.gz RWGSGEFVOAKEOE-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCc1cccc(C[N@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)c1 ZINC001717338072 1421275596 /nfs/dbraw/zinc/27/55/96/1421275596.db2.gz PKHSJDKFOMFCLF-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCCC[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001717532092 1421468370 /nfs/dbraw/zinc/46/83/70/1421468370.db2.gz YPEQCRHNTVSDFS-WOJBJXKFSA-N 2 1 345.531 3.162 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCCCC[N@H+]2CC2CCCCC2)CCC1 ZINC001717537561 1421475507 /nfs/dbraw/zinc/47/55/07/1421475507.db2.gz HNZPBQUUKPRNJH-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@H+]1CCCC(C)(C)C ZINC001717855156 1421667243 /nfs/dbraw/zinc/66/72/43/1421667243.db2.gz CTVMJBURFYHYMS-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC/C=C/c2ccccc2)C1 ZINC001733412707 1429614295 /nfs/dbraw/zinc/61/42/95/1429614295.db2.gz ONYVTAHKYPKJAE-NBILRRPASA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@H+](CC/C=C/c2ccccc2)C1 ZINC001733412707 1429614297 /nfs/dbraw/zinc/61/42/97/1429614297.db2.gz ONYVTAHKYPKJAE-NBILRRPASA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC001733412707 1429614298 /nfs/dbraw/zinc/61/42/98/1429614298.db2.gz ONYVTAHKYPKJAE-NBILRRPASA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001733413095 1429615467 /nfs/dbraw/zinc/61/54/67/1429615467.db2.gz UQMQGZMPKLIBMS-OAQYLSRUSA-N 2 1 345.531 3.232 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NCC2(C)CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001733453700 1429667645 /nfs/dbraw/zinc/66/76/45/1429667645.db2.gz RPKDRZVUUYYLPW-IBGZPJMESA-N 2 1 349.563 3.127 20 0 EGADMP CC[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1[NH2+]C(C)C ZINC001723377184 1424377448 /nfs/dbraw/zinc/37/74/48/1424377448.db2.gz JFHSHJDAQAVZMD-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001724118613 1424672985 /nfs/dbraw/zinc/67/29/85/1424672985.db2.gz FQIAHJIOJUDWJU-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001724118613 1424672988 /nfs/dbraw/zinc/67/29/88/1424672988.db2.gz FQIAHJIOJUDWJU-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001724118613 1424672991 /nfs/dbraw/zinc/67/29/91/1424672991.db2.gz FQIAHJIOJUDWJU-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1cc(C)c(C[N@@H+]2CC[C@@](C)(NC(=O)CCC[NH+](C)C)C2)c(C)c1 ZINC001724172674 1424706882 /nfs/dbraw/zinc/70/68/82/1424706882.db2.gz DRGYVQIHPCVTNU-OAQYLSRUSA-N 2 1 345.531 3.034 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001724183719 1424718146 /nfs/dbraw/zinc/71/81/46/1424718146.db2.gz LBLORVFBYXCGQD-AZUAARDMSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+]([C@@H](CC)c2ccccc2)C1 ZINC001724183719 1424718150 /nfs/dbraw/zinc/71/81/50/1424718150.db2.gz LBLORVFBYXCGQD-AZUAARDMSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC001724183719 1424718155 /nfs/dbraw/zinc/71/81/55/1424718155.db2.gz LBLORVFBYXCGQD-AZUAARDMSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001724833110 1425178718 /nfs/dbraw/zinc/17/87/18/1425178718.db2.gz BASVHOXXXLRPQR-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001725007138 1425420489 /nfs/dbraw/zinc/42/04/89/1425420489.db2.gz RFWWQHAPKZXCEB-ABSDTBQOSA-N 2 1 345.531 3.450 20 0 EGADMP CC[N@H+](CC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1)C(C)C ZINC001725026597 1425446012 /nfs/dbraw/zinc/44/60/12/1425446012.db2.gz UDHARQQAMLECML-UHFFFAOYSA-N 2 1 345.531 3.087 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1)C(C)C ZINC001725026597 1425446013 /nfs/dbraw/zinc/44/60/13/1425446013.db2.gz UDHARQQAMLECML-UHFFFAOYSA-N 2 1 345.531 3.087 20 0 EGADMP CC[NH+](CC1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1)C(C)C ZINC001725026597 1425446017 /nfs/dbraw/zinc/44/60/17/1425446017.db2.gz UDHARQQAMLECML-UHFFFAOYSA-N 2 1 345.531 3.087 20 0 EGADMP CC[NH+](CC1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1)C(C)C ZINC001725026597 1425446021 /nfs/dbraw/zinc/44/60/21/1425446021.db2.gz UDHARQQAMLECML-UHFFFAOYSA-N 2 1 345.531 3.087 20 0 EGADMP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@@H+](C)CCC1CCCC1 ZINC001725157322 1425649129 /nfs/dbraw/zinc/64/91/29/1425649129.db2.gz BUFFPRUFDRZPPE-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CCCCC[NH+]1CCC1CC1)CC(C)(C)C ZINC001725244789 1425860854 /nfs/dbraw/zinc/86/08/54/1425860854.db2.gz YSBGNDVYANYCLX-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CC1)CC(C)(C)C ZINC001725244789 1425860857 /nfs/dbraw/zinc/86/08/57/1425860857.db2.gz YSBGNDVYANYCLX-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CC1)CC(C)(C)C ZINC001725244789 1425860861 /nfs/dbraw/zinc/86/08/61/1425860861.db2.gz YSBGNDVYANYCLX-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)[C@H]1C ZINC001725691586 1426374853 /nfs/dbraw/zinc/37/48/53/1426374853.db2.gz XCVUYFRKUNKQSD-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCC2(CC2)CC1)[NH+](C)C ZINC001731544242 1427559421 /nfs/dbraw/zinc/55/94/21/1427559421.db2.gz XOYDGJXWQGKDBA-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001731678630 1427726311 /nfs/dbraw/zinc/72/63/11/1427726311.db2.gz CYHDQHVWVUJUES-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)[C@H](C)c1ccccc1 ZINC001731873536 1428134696 /nfs/dbraw/zinc/13/46/96/1428134696.db2.gz LEJSZTBPUGDJGW-UYAOXDASSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)[C@H](C)c1ccccc1 ZINC001731873536 1428134700 /nfs/dbraw/zinc/13/47/00/1428134700.db2.gz LEJSZTBPUGDJGW-UYAOXDASSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)[C@H](C)c1ccccc1 ZINC001731873536 1428134703 /nfs/dbraw/zinc/13/47/03/1428134703.db2.gz LEJSZTBPUGDJGW-UYAOXDASSA-N 2 1 345.531 3.450 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC1([NH2+]CCC2CCCC2)CCC1 ZINC001733723895 1429947363 /nfs/dbraw/zinc/94/73/63/1429947363.db2.gz AGPZIKDVNWDJPB-UHFFFAOYSA-N 2 1 346.519 3.215 20 0 EGADMP CN(CCC[N@@H+](C)CCCC1CCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001733773926 1430012910 /nfs/dbraw/zinc/01/29/10/1430012910.db2.gz VAEOIBMBNRAHAY-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CCC[N@H+]1CC1CCC1 ZINC001734464070 1438120379 /nfs/dbraw/zinc/12/03/79/1438120379.db2.gz XGINEASZLZCJRK-PXNSSMCTSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CCC[NH+]1CC1CCC1 ZINC001734464070 1438120381 /nfs/dbraw/zinc/12/03/81/1438120381.db2.gz XGINEASZLZCJRK-PXNSSMCTSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CCC[NH+]1CC1CCC1 ZINC001734464070 1438120382 /nfs/dbraw/zinc/12/03/82/1438120382.db2.gz XGINEASZLZCJRK-PXNSSMCTSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001734586673 1438176677 /nfs/dbraw/zinc/17/66/77/1438176677.db2.gz VVEGVGNJMJNVGG-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1CCCC1 ZINC001752157425 1440147577 /nfs/dbraw/zinc/14/75/77/1440147577.db2.gz QBFNWTIHDLKLPD-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC12CC[NH+](CC1CCCCCC1)CC2 ZINC001752432056 1440178566 /nfs/dbraw/zinc/17/85/66/1440178566.db2.gz RTFOJJRVVDYPJC-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001752564360 1440195225 /nfs/dbraw/zinc/19/52/25/1440195225.db2.gz AFDSZIAMVUQVPO-AQNXPRMDSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001752569130 1440195634 /nfs/dbraw/zinc/19/56/34/1440195634.db2.gz ZERAJSVPMPHIHO-ZCNNSNEGSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001752569130 1440195635 /nfs/dbraw/zinc/19/56/35/1440195635.db2.gz ZERAJSVPMPHIHO-ZCNNSNEGSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001752569130 1440195636 /nfs/dbraw/zinc/19/56/36/1440195636.db2.gz ZERAJSVPMPHIHO-ZCNNSNEGSA-N 2 1 349.563 3.361 20 0 EGADMP CCCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001752705746 1440202318 /nfs/dbraw/zinc/20/23/18/1440202318.db2.gz BIKWGFOCJBLNIS-OALUTQOASA-N 2 1 346.519 3.085 20 0 EGADMP CCCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001752705746 1440202319 /nfs/dbraw/zinc/20/23/19/1440202319.db2.gz BIKWGFOCJBLNIS-OALUTQOASA-N 2 1 346.519 3.085 20 0 EGADMP CCCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001752799152 1440214795 /nfs/dbraw/zinc/21/47/95/1440214795.db2.gz LJARGQUFGKQUIW-CEXWTWQISA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001752820214 1440219912 /nfs/dbraw/zinc/21/99/12/1440219912.db2.gz CQWYWEJGVKUSBU-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001752820214 1440219913 /nfs/dbraw/zinc/21/99/13/1440219913.db2.gz CQWYWEJGVKUSBU-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@H]1CCCC[N@H+]1CC1CC(C)(C)C1 ZINC001752820214 1440219914 /nfs/dbraw/zinc/21/99/14/1440219914.db2.gz CQWYWEJGVKUSBU-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001752820212 1440220049 /nfs/dbraw/zinc/22/00/49/1440220049.db2.gz CQWYWEJGVKUSBU-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001752820212 1440220050 /nfs/dbraw/zinc/22/00/50/1440220050.db2.gz CQWYWEJGVKUSBU-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCCC[N@H+]1CC1CC(C)(C)C1 ZINC001752820212 1440220051 /nfs/dbraw/zinc/22/00/51/1440220051.db2.gz CQWYWEJGVKUSBU-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001752823470 1440222124 /nfs/dbraw/zinc/22/21/24/1440222124.db2.gz CFRDZIBSJNHBKL-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001752823470 1440222125 /nfs/dbraw/zinc/22/21/25/1440222125.db2.gz CFRDZIBSJNHBKL-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001752823470 1440222126 /nfs/dbraw/zinc/22/21/26/1440222126.db2.gz CFRDZIBSJNHBKL-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001752823470 1440222127 /nfs/dbraw/zinc/22/21/27/1440222127.db2.gz CFRDZIBSJNHBKL-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP C[N@@H+](CCC(=O)NC[C@H]1CCCC[NH+]1CC1CCC1)C1CCCCC1 ZINC001752827697 1440224330 /nfs/dbraw/zinc/22/43/30/1440224330.db2.gz NUDQSKHDIUTIKR-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)NC[C@H]1CCCC[N@@H+]1CC1CCC1)C1CCCCC1 ZINC001752827697 1440224331 /nfs/dbraw/zinc/22/43/31/1440224331.db2.gz NUDQSKHDIUTIKR-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)NC[C@H]1CCCC[N@H+]1CC1CCC1)C1CCCCC1 ZINC001752827697 1440224332 /nfs/dbraw/zinc/22/43/32/1440224332.db2.gz NUDQSKHDIUTIKR-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001752831131 1440225298 /nfs/dbraw/zinc/22/52/98/1440225298.db2.gz AQHIYGTZVCNZSD-RBUKOAKNSA-N 2 1 337.552 3.364 20 0 EGADMP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001752840231 1440230067 /nfs/dbraw/zinc/23/00/67/1440230067.db2.gz JVOMFGGSSLNHTL-XLIONFOSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001752842395 1440231401 /nfs/dbraw/zinc/23/14/01/1440231401.db2.gz ZGDYEWKODXCFBZ-DSQZMVHQSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH2+]CC1=CCCCC1 ZINC001752873123 1440237435 /nfs/dbraw/zinc/23/74/35/1440237435.db2.gz OYBRNHNTJWHOLM-PKOBYXMFSA-N 2 1 347.547 3.236 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001752907360 1440244542 /nfs/dbraw/zinc/24/45/42/1440244542.db2.gz BMCIANKBWXTRHX-INIZCTEOSA-N 2 1 348.535 3.282 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCCC2CCC2)C1 ZINC001752992988 1440260417 /nfs/dbraw/zinc/26/04/17/1440260417.db2.gz YAIGZAJTACNNIA-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCCC2CCC2)C1 ZINC001752992988 1440260418 /nfs/dbraw/zinc/26/04/18/1440260418.db2.gz YAIGZAJTACNNIA-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001752992988 1440260419 /nfs/dbraw/zinc/26/04/19/1440260419.db2.gz YAIGZAJTACNNIA-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CCCC1CCCC1)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001752997717 1440262972 /nfs/dbraw/zinc/26/29/72/1440262972.db2.gz SLSLGHOJQYNDLX-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001752997717 1440262973 /nfs/dbraw/zinc/26/29/73/1440262973.db2.gz SLSLGHOJQYNDLX-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001752997717 1440262974 /nfs/dbraw/zinc/26/29/74/1440262974.db2.gz SLSLGHOJQYNDLX-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001753031711 1440273133 /nfs/dbraw/zinc/27/31/33/1440273133.db2.gz ZWTISASFSWQFNK-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CCC[NH+]1CC=C(C)C)c1ccccc1 ZINC001753116570 1440311498 /nfs/dbraw/zinc/31/14/98/1440311498.db2.gz NGWKMQOXYRUMFV-PMACEKPBSA-N 2 1 343.515 3.226 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1CCC[NH+]1CC=C(C)C)c1ccccc1 ZINC001753116570 1440311499 /nfs/dbraw/zinc/31/14/99/1440311499.db2.gz NGWKMQOXYRUMFV-PMACEKPBSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC=C(C)C)c1ccccc1 ZINC001753116570 1440311500 /nfs/dbraw/zinc/31/15/00/1440311500.db2.gz NGWKMQOXYRUMFV-PMACEKPBSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC=C(C)C)c1ccccc1 ZINC001753116570 1440311501 /nfs/dbraw/zinc/31/15/01/1440311501.db2.gz NGWKMQOXYRUMFV-PMACEKPBSA-N 2 1 343.515 3.226 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001753137278 1440319450 /nfs/dbraw/zinc/31/94/50/1440319450.db2.gz HPSVRNQJWCLFHU-APWZRJJASA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001753137278 1440319451 /nfs/dbraw/zinc/31/94/51/1440319451.db2.gz HPSVRNQJWCLFHU-APWZRJJASA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001753137278 1440319452 /nfs/dbraw/zinc/31/94/52/1440319452.db2.gz HPSVRNQJWCLFHU-APWZRJJASA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)CC1CCC2(CC2)CC1 ZINC001753144703 1440323495 /nfs/dbraw/zinc/32/34/95/1440323495.db2.gz GDQPEBQFANQHBO-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](CCC(C)(C)C)C1CC1 ZINC001753161162 1440333891 /nfs/dbraw/zinc/33/38/91/1440333891.db2.gz OKRQVCAKUDVGTI-GOSISDBHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](CCC(C)(C)C)C1CC1 ZINC001753161162 1440333892 /nfs/dbraw/zinc/33/38/92/1440333892.db2.gz OKRQVCAKUDVGTI-GOSISDBHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001753349966 1440377549 /nfs/dbraw/zinc/37/75/49/1440377549.db2.gz ZSZDXSCNCLVSFM-MRXNPFEDSA-N 2 1 349.544 3.170 20 0 EGADMP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001753462502 1440411719 /nfs/dbraw/zinc/41/17/19/1440411719.db2.gz XSMIOOSSZZOHHN-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001753462502 1440411720 /nfs/dbraw/zinc/41/17/20/1440411720.db2.gz XSMIOOSSZZOHHN-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001753462502 1440411721 /nfs/dbraw/zinc/41/17/21/1440411721.db2.gz XSMIOOSSZZOHHN-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC/C=C/CC[NH2+]C[C@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@H]1C ZINC001753534199 1440432029 /nfs/dbraw/zinc/43/20/29/1440432029.db2.gz QQMALTPNTZUMDN-HOQHSMRBSA-N 2 1 346.519 3.203 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+][C@@H](C)c2ccccc2)C1 ZINC001753559778 1440436667 /nfs/dbraw/zinc/43/66/67/1440436667.db2.gz NOWWMSJXGDAXMN-RBUKOAKNSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001753587441 1440441837 /nfs/dbraw/zinc/44/18/37/1440441837.db2.gz WLJYMXFDJVWPIO-WGSAOQKQSA-N 2 1 337.552 3.316 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NCCC2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001753599480 1440446009 /nfs/dbraw/zinc/44/60/09/1440446009.db2.gz BYUKCPHDGUHKEJ-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C)c1 ZINC001753645424 1440455697 /nfs/dbraw/zinc/45/56/97/1440455697.db2.gz ZEYMRKHDKBPIPO-SJLPKXTDSA-N 2 1 333.520 3.047 20 0 EGADMP CCc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001753712243 1440471014 /nfs/dbraw/zinc/47/10/14/1440471014.db2.gz HBURVBHVDMXVDV-KRWDZBQOSA-N 2 1 347.547 3.163 20 0 EGADMP Cc1cc(C)cc(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001753734202 1440477233 /nfs/dbraw/zinc/47/72/33/1440477233.db2.gz WKQMDOYWIXHXNU-PMACEKPBSA-N 2 1 345.531 3.018 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCC(C)C ZINC001753811683 1440492832 /nfs/dbraw/zinc/49/28/32/1440492832.db2.gz MCPPMYHESCJUPK-IEBWSBKVSA-N 2 1 348.535 3.235 20 0 EGADMP CCC(CC)C[N@@H+](C)CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001753823256 1440497003 /nfs/dbraw/zinc/49/70/03/1440497003.db2.gz BWEUHEVYYQKLMA-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C(C)C ZINC001753829961 1440499326 /nfs/dbraw/zinc/49/93/26/1440499326.db2.gz DYODAXLYXSJWKK-MSOLQXFVSA-N 2 1 337.552 3.027 20 0 EGADMP CC1CC(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001753860751 1440511173 /nfs/dbraw/zinc/51/11/73/1440511173.db2.gz IRIJLCYACMROOC-QLOJAFMTSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CC(C[NH+](C)CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001753860751 1440511174 /nfs/dbraw/zinc/51/11/74/1440511174.db2.gz IRIJLCYACMROOC-QLOJAFMTSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CC(C[NH+](C)CCN(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001753860751 1440511175 /nfs/dbraw/zinc/51/11/75/1440511175.db2.gz IRIJLCYACMROOC-QLOJAFMTSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@H]21 ZINC001753879035 1440520184 /nfs/dbraw/zinc/52/01/84/1440520184.db2.gz ZQMKWDVHFPHUMM-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCN(CC[NH2+]CCC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001754049000 1440535458 /nfs/dbraw/zinc/53/54/58/1440535458.db2.gz DQRHHYOPHBJQMO-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)C[NH2+]CC1CCCCC1 ZINC001754226035 1440553233 /nfs/dbraw/zinc/55/32/33/1440553233.db2.gz XCWYYCARNGGNTO-HZPDHXFCSA-N 2 1 334.508 3.071 20 0 EGADMP C[C@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001754228431 1440553651 /nfs/dbraw/zinc/55/36/51/1440553651.db2.gz HVAFXWLMEXKUOE-APWZRJJASA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001754255169 1440559051 /nfs/dbraw/zinc/55/90/51/1440559051.db2.gz DVQPPXADAYBVIW-SJORKVTESA-N 2 1 341.499 3.335 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2C(C)C)CC[N@H+]1C ZINC001754266675 1440560745 /nfs/dbraw/zinc/56/07/45/1440560745.db2.gz CNCRZTWBTAXHOK-FFZOFVMBSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC1=CCCCC1 ZINC001754314062 1440574515 /nfs/dbraw/zinc/57/45/15/1440574515.db2.gz JRQRNFNFAZJIIO-PKOBYXMFSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1=CCCCC1 ZINC001754314062 1440574516 /nfs/dbraw/zinc/57/45/16/1440574516.db2.gz JRQRNFNFAZJIIO-PKOBYXMFSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1=CCCCC1 ZINC001754314062 1440574517 /nfs/dbraw/zinc/57/45/17/1440574517.db2.gz JRQRNFNFAZJIIO-PKOBYXMFSA-N 2 1 335.536 3.044 20 0 EGADMP Cc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001754326449 1440580934 /nfs/dbraw/zinc/58/09/34/1440580934.db2.gz KGCOHUSYSQXQPT-QUCCMNQESA-N 2 1 345.531 3.194 20 0 EGADMP Cc1ccccc1C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001754326449 1440580935 /nfs/dbraw/zinc/58/09/35/1440580935.db2.gz KGCOHUSYSQXQPT-QUCCMNQESA-N 2 1 345.531 3.194 20 0 EGADMP Cc1ccccc1C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001754326449 1440580936 /nfs/dbraw/zinc/58/09/36/1440580936.db2.gz KGCOHUSYSQXQPT-QUCCMNQESA-N 2 1 345.531 3.194 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cc(C)cc(C)c1 ZINC001754336893 1440586998 /nfs/dbraw/zinc/58/69/98/1440586998.db2.gz PHTOUWYRIFGDAZ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1cc(C)cc(C)c1 ZINC001754336893 1440586999 /nfs/dbraw/zinc/58/69/99/1440586999.db2.gz PHTOUWYRIFGDAZ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC001754336893 1440587000 /nfs/dbraw/zinc/58/70/00/1440587000.db2.gz PHTOUWYRIFGDAZ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CC1CCCCC1 ZINC001754382650 1440593510 /nfs/dbraw/zinc/59/35/10/1440593510.db2.gz WNYBDLMLTQLSNU-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)CCC[NH2+]CC1CCCCCC1 ZINC001754400010 1440595080 /nfs/dbraw/zinc/59/50/80/1440595080.db2.gz RMMNUYXPDVKNMD-UHFFFAOYSA-N 2 1 348.535 3.415 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC1=CCCCC1 ZINC001754401035 1440595315 /nfs/dbraw/zinc/59/53/15/1440595315.db2.gz OHYVBBPLMJMHCP-IBGZPJMESA-N 2 1 335.536 3.188 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCC[NH2+]CCCC(C)(C)C ZINC001754417112 1440596895 /nfs/dbraw/zinc/59/68/95/1440596895.db2.gz XXRIFSOGPSWVPT-CALCHBBNSA-N 2 1 325.541 3.124 20 0 EGADMP C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CCC1=CCCCC1)[NH+]1CCCCCC1 ZINC001754495156 1440611759 /nfs/dbraw/zinc/61/17/59/1440611759.db2.gz GITUGYVWIVNRGC-ICSRJNTNSA-N 2 1 347.547 3.332 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1([NH2+]CCC(C)(C)C)CC1 ZINC001754515155 1440618453 /nfs/dbraw/zinc/61/84/53/1440618453.db2.gz MBUDLYGARJWRKA-HNNXBMFYSA-N 2 1 334.508 3.071 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CC1 ZINC001754528052 1440621770 /nfs/dbraw/zinc/62/17/70/1440621770.db2.gz ZPVMYQYNNWXDFG-KRWDZBQOSA-N 2 1 337.552 3.314 20 0 EGADMP C[NH+](C)C1(C(=O)NCC[N@@H+](CC2CCC2)C2CCCCCC2)CCC1 ZINC001754545350 1440627135 /nfs/dbraw/zinc/62/71/35/1440627135.db2.gz HOGFUFFBZSQJBD-UHFFFAOYSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](CC2CC2)CC2CC(C)C2)CC1 ZINC001754548711 1440628939 /nfs/dbraw/zinc/62/89/39/1440628939.db2.gz CAPHSDNTTZRFMO-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@H+](CC2CC2)CC2CC(C)C2)CC1 ZINC001754548711 1440628940 /nfs/dbraw/zinc/62/89/40/1440628940.db2.gz CAPHSDNTTZRFMO-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](CC2CC2)CC2CC(C)C2)CC1 ZINC001754548711 1440628941 /nfs/dbraw/zinc/62/89/41/1440628941.db2.gz CAPHSDNTTZRFMO-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001754565734 1440635502 /nfs/dbraw/zinc/63/55/02/1440635502.db2.gz SJYQTJVBKQZRFG-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001754565734 1440635503 /nfs/dbraw/zinc/63/55/03/1440635503.db2.gz SJYQTJVBKQZRFG-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001754565734 1440635504 /nfs/dbraw/zinc/63/55/04/1440635504.db2.gz SJYQTJVBKQZRFG-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001754611728 1440643886 /nfs/dbraw/zinc/64/38/86/1440643886.db2.gz PYDNVXWDDDNEMM-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C[NH2+]CC1CCCCC1)C1CCCC1 ZINC001754655577 1440653404 /nfs/dbraw/zinc/65/34/04/1440653404.db2.gz CZCOVUHEKKKFJO-LJQANCHMSA-N 2 1 346.519 3.036 20 0 EGADMP CCCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001754716214 1440671547 /nfs/dbraw/zinc/67/15/47/1440671547.db2.gz NZTPQOUBFQRRHY-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001754868250 1440703966 /nfs/dbraw/zinc/70/39/66/1440703966.db2.gz OBMZDWRWKSTJCT-GUDVDZBRSA-N 2 1 337.552 3.218 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001754945015 1440712563 /nfs/dbraw/zinc/71/25/63/1440712563.db2.gz PKQLTRDHPLGWQZ-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001754951194 1440715029 /nfs/dbraw/zinc/71/50/29/1440715029.db2.gz LQKWQXPIHIBRCS-QFBILLFUSA-N 2 1 331.504 3.095 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCC1 ZINC001754993076 1440725147 /nfs/dbraw/zinc/72/51/47/1440725147.db2.gz CAGBYUUKUCPQMS-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP CCCC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001755034643 1440733555 /nfs/dbraw/zinc/73/35/55/1440733555.db2.gz VQBAWOBIAVKNTR-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001755034644 1440733635 /nfs/dbraw/zinc/73/36/35/1440733635.db2.gz VQBAWOBIAVKNTR-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001755047433 1440742098 /nfs/dbraw/zinc/74/20/98/1440742098.db2.gz NTDQAJQZVCBARG-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001755161833 1440764980 /nfs/dbraw/zinc/76/49/80/1440764980.db2.gz NDXYWWFWAKXQLE-ROUUACIJSA-N 2 1 335.536 3.164 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001755161977 1440765062 /nfs/dbraw/zinc/76/50/62/1440765062.db2.gz OVMJRVAPNGLKCL-WYNBNGFRSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC2CC(C)C2)CCCCC1 ZINC001755350889 1440827832 /nfs/dbraw/zinc/82/78/32/1440827832.db2.gz KCYKAKVQQVJUCB-ACBHZAAOSA-N 2 1 349.563 3.314 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]CC=C(C)C)CCCCC2)CC[N@H+]1C ZINC001755351202 1440827852 /nfs/dbraw/zinc/82/78/52/1440827852.db2.gz UALYIZHYVLIYSM-ZWKOTPCHSA-N 2 1 335.536 3.092 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NC2(C[NH2+]CCC3CCCC3)CCCCC2)C1 ZINC001755355053 1440829123 /nfs/dbraw/zinc/82/91/23/1440829123.db2.gz WFFVFNDAUSHGCR-GOSISDBHSA-N 2 1 349.563 3.317 20 0 EGADMP CCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001755366052 1440834377 /nfs/dbraw/zinc/83/43/77/1440834377.db2.gz JJPGZNKYJPPOGE-RTBURBONSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001755366052 1440834378 /nfs/dbraw/zinc/83/43/78/1440834378.db2.gz JJPGZNKYJPPOGE-RTBURBONSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001755366052 1440834379 /nfs/dbraw/zinc/83/43/79/1440834379.db2.gz JJPGZNKYJPPOGE-RTBURBONSA-N 2 1 337.552 3.412 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001755414018 1440847888 /nfs/dbraw/zinc/84/78/88/1440847888.db2.gz NYCCXIOFFPABDX-MSOLQXFVSA-N 2 1 349.494 3.055 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001755414974 1440848067 /nfs/dbraw/zinc/84/80/67/1440848067.db2.gz CNZDQYBRKXCXHT-ZMBJWTFHSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[NH+]([C@@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755414901 1440848166 /nfs/dbraw/zinc/84/81/66/1440848166.db2.gz CKYKVPGWSZIMGQ-YJBOKZPZSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[N@@H+]([C@@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755414901 1440848167 /nfs/dbraw/zinc/84/81/67/1440848167.db2.gz CKYKVPGWSZIMGQ-YJBOKZPZSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[N@H+]([C@@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755414901 1440848168 /nfs/dbraw/zinc/84/81/68/1440848168.db2.gz CKYKVPGWSZIMGQ-YJBOKZPZSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)CC1(C)C)[NH+]1CCCC1 ZINC001755415941 1440848980 /nfs/dbraw/zinc/84/89/80/1440848980.db2.gz NWNONXJBXSNNQR-RTBURBONSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001755502917 1440862735 /nfs/dbraw/zinc/86/27/35/1440862735.db2.gz KLNZTIVMALUQNJ-MJGOQNOKSA-N 2 1 335.536 3.234 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH+](C)CC2CC(C)(C)C2)CC1 ZINC001755536043 1440869458 /nfs/dbraw/zinc/86/94/58/1440869458.db2.gz ZSJUZQNQWRARMQ-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([N@H+](C)CC2CC(C)(C)C2)CC1 ZINC001755536043 1440869459 /nfs/dbraw/zinc/86/94/59/1440869459.db2.gz ZSJUZQNQWRARMQ-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC001755536043 1440869460 /nfs/dbraw/zinc/86/94/60/1440869460.db2.gz ZSJUZQNQWRARMQ-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001755587952 1440880773 /nfs/dbraw/zinc/88/07/73/1440880773.db2.gz NTAVULRMHNXMFH-PKOBYXMFSA-N 2 1 335.536 3.186 20 0 EGADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH2+]CC1=CCCCC1 ZINC001755590663 1440881421 /nfs/dbraw/zinc/88/14/21/1440881421.db2.gz PQYPLDJIESBLDT-FXAWDEMLSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCC1CCC1 ZINC001755607997 1440886339 /nfs/dbraw/zinc/88/63/39/1440886339.db2.gz YHRKEAKWGQHDKM-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCC1)c1ccccc1 ZINC001755610540 1440887060 /nfs/dbraw/zinc/88/70/60/1440887060.db2.gz ONAFLWJSBAZLRX-YLJYHZDGSA-N 2 1 345.531 3.306 20 0 EGADMP CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C)cc1 ZINC001755665481 1440893312 /nfs/dbraw/zinc/89/33/12/1440893312.db2.gz WZALGBQFGSJORV-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CCCC(C)(C)C)C[C@@H]1C ZINC001755686537 1440896119 /nfs/dbraw/zinc/89/61/19/1440896119.db2.gz MQJPULJCCBMGMM-IRXDYDNUSA-N 2 1 348.535 3.412 20 0 EGADMP CCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001755701785 1440900437 /nfs/dbraw/zinc/90/04/37/1440900437.db2.gz RPRZGMXNUIPVPH-SFHLNBCPSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC001755701785 1440900438 /nfs/dbraw/zinc/90/04/38/1440900438.db2.gz RPRZGMXNUIPVPH-SFHLNBCPSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC001755701785 1440900439 /nfs/dbraw/zinc/90/04/39/1440900439.db2.gz RPRZGMXNUIPVPH-SFHLNBCPSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)[C@H]1C ZINC001755721158 1440907454 /nfs/dbraw/zinc/90/74/54/1440907454.db2.gz MLUMRCKBZVGJCY-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)[C@H]1C ZINC001755721158 1440907455 /nfs/dbraw/zinc/90/74/55/1440907455.db2.gz MLUMRCKBZVGJCY-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)[C@H]1C ZINC001755721158 1440907456 /nfs/dbraw/zinc/90/74/56/1440907456.db2.gz MLUMRCKBZVGJCY-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)[C@H]1C ZINC001755721156 1440907461 /nfs/dbraw/zinc/90/74/61/1440907461.db2.gz MLUMRCKBZVGJCY-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)[C@H]1C ZINC001755721156 1440907462 /nfs/dbraw/zinc/90/74/62/1440907462.db2.gz MLUMRCKBZVGJCY-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)[C@H]1C ZINC001755721156 1440907463 /nfs/dbraw/zinc/90/74/63/1440907463.db2.gz MLUMRCKBZVGJCY-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](C/C=C\c2ccccc2)[C@@H]1C ZINC001755722035 1440908038 /nfs/dbraw/zinc/90/80/38/1440908038.db2.gz DTYABLGVSFPGMT-UXRNRCMTSA-N 2 1 343.515 3.009 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C/C=C\c2ccccc2)[C@@H]1C ZINC001755722035 1440908039 /nfs/dbraw/zinc/90/80/39/1440908039.db2.gz DTYABLGVSFPGMT-UXRNRCMTSA-N 2 1 343.515 3.009 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2)[C@@H]1C ZINC001755722035 1440908040 /nfs/dbraw/zinc/90/80/40/1440908040.db2.gz DTYABLGVSFPGMT-UXRNRCMTSA-N 2 1 343.515 3.009 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@H+]1CC1CCCCC1 ZINC001755723445 1440908503 /nfs/dbraw/zinc/90/85/03/1440908503.db2.gz PCSXTGVNRKCEQV-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)=CC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001755817065 1440923983 /nfs/dbraw/zinc/92/39/83/1440923983.db2.gz BKQUDKDFFBZVHL-RBUKOAKNSA-N 2 1 337.552 3.242 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C[NH2+]CCCC2CCC2)C(C)(C)C)C1 ZINC001755832579 1440929196 /nfs/dbraw/zinc/92/91/96/1440929196.db2.gz PZJKCWIRPKAYCD-AEFFLSMTSA-N 2 1 337.552 3.029 20 0 EGADMP CCCC[NH2+]C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC001755839356 1440931190 /nfs/dbraw/zinc/93/11/90/1440931190.db2.gz KQKFHWPVVDBXAS-ROUUACIJSA-N 2 1 333.520 3.210 20 0 EGADMP [NH3+]C1CC2(C1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164386837 718801869 /nfs/dbraw/zinc/80/18/69/718801869.db2.gz FLIRFIFPFGYQHF-UHFFFAOYSA-N 2 1 334.895 3.039 20 0 EGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)COC(C)(C)O4)CC[C@H]21 ZINC000186855659 530058864 /nfs/dbraw/zinc/05/88/64/530058864.db2.gz KIAQYFFOWHIVOO-SJLPKXTDSA-N 2 1 330.472 3.248 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)COC(C)(C)O4)CC[C@H]21 ZINC000186855659 530058865 /nfs/dbraw/zinc/05/88/65/530058865.db2.gz KIAQYFFOWHIVOO-SJLPKXTDSA-N 2 1 330.472 3.248 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)COC(C)(C)O4)CC[C@H]21 ZINC000186855659 530058866 /nfs/dbraw/zinc/05/88/66/530058866.db2.gz KIAQYFFOWHIVOO-SJLPKXTDSA-N 2 1 330.472 3.248 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC(C)(C)O4)CC[C@H]21 ZINC000186855659 530058867 /nfs/dbraw/zinc/05/88/67/530058867.db2.gz KIAQYFFOWHIVOO-SJLPKXTDSA-N 2 1 330.472 3.248 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000179636570 233257578 /nfs/dbraw/zinc/25/75/78/233257578.db2.gz ZVJVTUNOPFDDTI-SFHVURJKSA-N 2 1 325.456 3.044 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000179636570 233257592 /nfs/dbraw/zinc/25/75/92/233257592.db2.gz ZVJVTUNOPFDDTI-SFHVURJKSA-N 2 1 325.456 3.044 20 0 EGADMP O[C@@H]1CC[N@H+](Cc2ccccc2CNc2cc[nH+]c3ccsc32)C1 ZINC000181145594 234097620 /nfs/dbraw/zinc/09/76/20/234097620.db2.gz TZBTVLWQQFGSQK-MRXNPFEDSA-N 2 1 339.464 3.475 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2CNc2cc[nH+]c3ccsc32)C1 ZINC000181145594 234097622 /nfs/dbraw/zinc/09/76/22/234097622.db2.gz TZBTVLWQQFGSQK-MRXNPFEDSA-N 2 1 339.464 3.475 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187126666 236125949 /nfs/dbraw/zinc/12/59/49/236125949.db2.gz HFBYPPOPKBVBNM-CALCHBBNSA-N 2 1 343.515 3.053 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187126666 236125950 /nfs/dbraw/zinc/12/59/50/236125950.db2.gz HFBYPPOPKBVBNM-CALCHBBNSA-N 2 1 343.515 3.053 20 0 EGADMP Brc1cccc(-c2ccc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)s2)c1 ZINC000415044521 309116221 /nfs/dbraw/zinc/11/62/21/309116221.db2.gz VJSMRGVLPWNNBL-FOLVSLTJSA-N 2 1 349.297 3.485 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)C[NH2+]CC1CC1)C1CCCCC1 ZINC000262648033 245094383 /nfs/dbraw/zinc/09/43/83/245094383.db2.gz PLVWZINLVZDSJP-UHFFFAOYSA-N 2 1 329.488 3.389 20 0 EGADMP COc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1Br ZINC000049554100 214018646 /nfs/dbraw/zinc/01/86/46/214018646.db2.gz PFOAXDLYJVTCPV-VXGBXAGGSA-N 2 1 329.282 3.449 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC000248040658 284371238 /nfs/dbraw/zinc/37/12/38/284371238.db2.gz VNPGDZDSTXOZDF-GNBUJSLZSA-N 2 1 345.531 3.162 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC000248040658 284371242 /nfs/dbraw/zinc/37/12/42/284371242.db2.gz VNPGDZDSTXOZDF-GNBUJSLZSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000377633580 169052731 /nfs/dbraw/zinc/05/27/31/169052731.db2.gz VKRLCCUDPBAKNS-SZVBFZGTSA-N 2 1 331.504 3.003 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000378147761 169075877 /nfs/dbraw/zinc/07/58/77/169075877.db2.gz JCJVRXUXYWKNES-VHDGCEQUSA-N 2 1 342.936 3.330 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CC4=CCCOC4)CC[C@@H]32)cc1 ZINC000092043814 218108890 /nfs/dbraw/zinc/10/88/90/218108890.db2.gz KQEVCLZAHMHIPP-RTWAWAEBSA-N 2 1 326.484 3.320 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CC4=CCCOC4)CC[C@@H]32)cc1 ZINC000092043814 218108892 /nfs/dbraw/zinc/10/88/92/218108892.db2.gz KQEVCLZAHMHIPP-RTWAWAEBSA-N 2 1 326.484 3.320 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CC4=CCCOC4)CC[C@@H]32)cc1 ZINC000092043814 218108894 /nfs/dbraw/zinc/10/88/94/218108894.db2.gz KQEVCLZAHMHIPP-RTWAWAEBSA-N 2 1 326.484 3.320 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CC4=CCCOC4)CC[C@@H]32)cc1 ZINC000092043814 218108896 /nfs/dbraw/zinc/10/88/96/218108896.db2.gz KQEVCLZAHMHIPP-RTWAWAEBSA-N 2 1 326.484 3.320 20 0 EGADMP COCCOc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093564102 218233196 /nfs/dbraw/zinc/23/31/96/218233196.db2.gz BWFVCNSWOJQQDH-IBGZPJMESA-N 2 1 332.488 3.162 20 0 EGADMP COCCOc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093564102 218233198 /nfs/dbraw/zinc/23/31/98/218233198.db2.gz BWFVCNSWOJQQDH-IBGZPJMESA-N 2 1 332.488 3.162 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000093693399 218243872 /nfs/dbraw/zinc/24/38/72/218243872.db2.gz LNNKQABSVYBXOS-HNNXBMFYSA-N 2 1 330.451 3.380 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000093693399 218243874 /nfs/dbraw/zinc/24/38/74/218243874.db2.gz LNNKQABSVYBXOS-HNNXBMFYSA-N 2 1 330.451 3.380 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000093742249 218245228 /nfs/dbraw/zinc/24/52/28/218245228.db2.gz VYNKJWXZOLLVEC-HNNXBMFYSA-N 2 1 330.451 3.380 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000093742249 218245232 /nfs/dbraw/zinc/24/52/32/218245232.db2.gz VYNKJWXZOLLVEC-HNNXBMFYSA-N 2 1 330.451 3.380 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000093742249 218245233 /nfs/dbraw/zinc/24/52/33/218245233.db2.gz VYNKJWXZOLLVEC-HNNXBMFYSA-N 2 1 330.451 3.380 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000093742249 218245236 /nfs/dbraw/zinc/24/52/36/218245236.db2.gz VYNKJWXZOLLVEC-HNNXBMFYSA-N 2 1 330.451 3.380 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268786166 252236931 /nfs/dbraw/zinc/23/69/31/252236931.db2.gz RZRYPKCFAVAYQP-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268786166 252236934 /nfs/dbraw/zinc/23/69/34/252236934.db2.gz RZRYPKCFAVAYQP-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP CCOCCOCc1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000268794523 252245957 /nfs/dbraw/zinc/24/59/57/252245957.db2.gz FLFCDGRDASKEGC-YLJYHZDGSA-N 2 1 334.504 3.060 20 0 EGADMP Cc1noc(C)c1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268864831 252313858 /nfs/dbraw/zinc/31/38/58/252313858.db2.gz FEDSUHYHKKFPFR-KXBFYZLASA-N 2 1 327.472 3.477 20 0 EGADMP Cc1noc(C)c1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268864831 252313860 /nfs/dbraw/zinc/31/38/60/252313860.db2.gz FEDSUHYHKKFPFR-KXBFYZLASA-N 2 1 327.472 3.477 20 0 EGADMP CCCOc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000268862029 252309357 /nfs/dbraw/zinc/30/93/57/252309357.db2.gz DWZRIZIWDGUKAY-MJGOQNOKSA-N 2 1 334.504 3.363 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000153760480 224154147 /nfs/dbraw/zinc/15/41/47/224154147.db2.gz CQQUSNMUXJARPI-GJZGRUSLSA-N 2 1 335.517 3.346 20 0 EGADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000153765839 224155055 /nfs/dbraw/zinc/15/50/55/224155055.db2.gz SAOQFLVDNDUZFC-AWEZNQCLSA-N 2 1 348.516 3.132 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000153765839 224155058 /nfs/dbraw/zinc/15/50/58/224155058.db2.gz SAOQFLVDNDUZFC-AWEZNQCLSA-N 2 1 348.516 3.132 20 0 EGADMP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(OC)c1 ZINC000119033360 221228055 /nfs/dbraw/zinc/22/80/55/221228055.db2.gz OYOJPNWKEYSUGR-KPFFTGBYSA-N 2 1 333.520 3.150 20 0 EGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCC[NH+](C)C)c1 ZINC000132698445 533375281 /nfs/dbraw/zinc/37/52/81/533375281.db2.gz IRRTWBHUDVTHOG-UHFFFAOYSA-N 2 1 344.503 3.355 20 0 EGADMP COc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC(F)F ZINC000153705330 533502865 /nfs/dbraw/zinc/50/28/65/533502865.db2.gz TTYPJQSYSLMEKZ-IPYPFGDCSA-N 2 1 342.430 3.157 20 0 EGADMP C[C@@H](CN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C[NH+]1CCCC1 ZINC000677806387 549334411 /nfs/dbraw/zinc/33/44/11/549334411.db2.gz ZBGVMYZFMGSLFM-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H](C[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1)C[NH+]1CCCC1 ZINC000677806387 549334412 /nfs/dbraw/zinc/33/44/12/549334412.db2.gz ZBGVMYZFMGSLFM-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246878168 141040343 /nfs/dbraw/zinc/04/03/43/141040343.db2.gz DUNVTUYXTGCENA-GHTZIAJQSA-N 3 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000246878168 141040344 /nfs/dbraw/zinc/04/03/44/141040344.db2.gz DUNVTUYXTGCENA-GHTZIAJQSA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccccc2CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000246878168 141040345 /nfs/dbraw/zinc/04/03/45/141040345.db2.gz DUNVTUYXTGCENA-GHTZIAJQSA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccccc2CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246878168 141040346 /nfs/dbraw/zinc/04/03/46/141040346.db2.gz DUNVTUYXTGCENA-GHTZIAJQSA-N 2 1 329.532 3.491 20 0 EGADMP C[N@H+](CC(=O)Nc1ccccc1)Cc1cc(-n2ccnc2)cs1 ZINC000346219123 141183194 /nfs/dbraw/zinc/18/31/94/141183194.db2.gz RAZNDOKBCJSEGA-UHFFFAOYSA-N 2 1 326.425 3.004 20 0 EGADMP C[N@@H+](CC(=O)Nc1ccccc1)Cc1cc(-n2ccnc2)cs1 ZINC000346219123 141183195 /nfs/dbraw/zinc/18/31/95/141183195.db2.gz RAZNDOKBCJSEGA-UHFFFAOYSA-N 2 1 326.425 3.004 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCN(C)CC(F)(F)F)cc1 ZINC000347997389 141231060 /nfs/dbraw/zinc/23/10/60/141231060.db2.gz DNFNGMSVUXVTTP-ZDUSSCGKSA-N 2 1 340.393 3.325 20 0 EGADMP Cc1ccc(CCC[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000353458828 141301231 /nfs/dbraw/zinc/30/12/31/141301231.db2.gz LBHOAXIRAVHTEF-KDURUIRLSA-N 2 1 345.531 3.144 20 0 EGADMP CC[NH+](CC)CCOCC[NH2+]Cc1c(F)cccc1Br ZINC000354632920 141317417 /nfs/dbraw/zinc/31/74/17/141317417.db2.gz NGPNQHXRNRFXOH-UHFFFAOYSA-N 2 1 347.272 3.036 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@H](C)[C@H]2C)cc1)C(C)C ZINC000356848067 141353746 /nfs/dbraw/zinc/35/37/46/141353746.db2.gz KNBHSJDBJZPLFK-IAGOWNOFSA-N 2 1 331.504 3.082 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1)C(C)C ZINC000356848067 141353747 /nfs/dbraw/zinc/35/37/47/141353747.db2.gz KNBHSJDBJZPLFK-IAGOWNOFSA-N 2 1 331.504 3.082 20 0 EGADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000178209919 144066383 /nfs/dbraw/zinc/06/63/83/144066383.db2.gz NHMDBOBVVMQAHM-KUHUBIRLSA-N 2 1 341.430 3.449 20 0 EGADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000178209919 144066385 /nfs/dbraw/zinc/06/63/85/144066385.db2.gz NHMDBOBVVMQAHM-KUHUBIRLSA-N 2 1 341.430 3.449 20 0 EGADMP COc1c(Br)cccc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000187132874 144152822 /nfs/dbraw/zinc/15/28/22/144152822.db2.gz ANGAZJUTXFEBCZ-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344624246 144201326 /nfs/dbraw/zinc/20/13/26/144201326.db2.gz IIACVWDDAQDMNZ-MLGOLLRUSA-N 2 1 348.441 3.340 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000344624246 144201327 /nfs/dbraw/zinc/20/13/27/144201327.db2.gz IIACVWDDAQDMNZ-MLGOLLRUSA-N 2 1 348.441 3.340 20 0 EGADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)CC3CCOCC3)CCCC2)CC1 ZINC000344745128 144219029 /nfs/dbraw/zinc/21/90/29/144219029.db2.gz LGQRJIWFXZZBBP-KRWDZBQOSA-N 2 1 338.536 3.205 20 0 EGADMP C[C@H]([NH3+])C1CC[NH+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000347031595 144251299 /nfs/dbraw/zinc/25/12/99/144251299.db2.gz AFBXHBMXZAYBRJ-AWEZNQCLSA-N 2 1 331.485 3.281 20 0 EGADMP Cc1nc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000351488465 144268796 /nfs/dbraw/zinc/26/87/96/144268796.db2.gz FRRJBBFNNXAKKY-NUEKZKHPSA-N 2 1 331.847 3.473 20 0 EGADMP Cc1nc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000351488465 144268797 /nfs/dbraw/zinc/26/87/97/144268797.db2.gz FRRJBBFNNXAKKY-NUEKZKHPSA-N 2 1 331.847 3.473 20 0 EGADMP C[N@@H+](C[C@@H](O)CN1Cc2ccccc2C[C@H]1c1ccccc1)C1CC1 ZINC000351516321 144272967 /nfs/dbraw/zinc/27/29/67/144272967.db2.gz XKKYSYQJOYLUCJ-YADHBBJMSA-N 2 1 336.479 3.241 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(C)C)oc1C ZINC000351809915 144309300 /nfs/dbraw/zinc/30/93/00/144309300.db2.gz MKISFGONPALFMC-QGZVFWFLSA-N 2 1 349.519 3.200 20 0 EGADMP Cc1cnc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)n1C ZINC000341085200 155149964 /nfs/dbraw/zinc/14/99/64/155149964.db2.gz ZKYPXJWPDQBGFP-UHFFFAOYSA-N 2 1 326.488 3.250 20 0 EGADMP Cc1cnc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)n1C ZINC000341113026 155166027 /nfs/dbraw/zinc/16/60/27/155166027.db2.gz DMDMPTRZBBBQBK-IAGOWNOFSA-N 2 1 340.515 3.496 20 0 EGADMP c1[nH]nc2cc(CC[NH2+]C3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000341333552 155236932 /nfs/dbraw/zinc/23/69/32/155236932.db2.gz BLUTUNZVNAYLRO-UHFFFAOYSA-N 2 1 334.467 3.360 20 0 EGADMP C[C@@H](Cc1ccncc1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000341344842 155244524 /nfs/dbraw/zinc/24/45/24/155244524.db2.gz BRXWWDGPGREODN-KRWDZBQOSA-N 2 1 341.474 3.448 20 0 EGADMP CCOC[C@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000354467014 286179895 /nfs/dbraw/zinc/17/98/95/286179895.db2.gz RJFMIVBCZMEBFR-IEBWSBKVSA-N 2 1 338.536 3.205 20 0 EGADMP COc1cccc(C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]2CCCO2)c1 ZINC000119483745 152208976 /nfs/dbraw/zinc/20/89/76/152208976.db2.gz JESLPPHJKPHHKM-ICSRJNTNSA-N 2 1 332.488 3.161 20 0 EGADMP COc1cccc(C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]2CCCO2)c1 ZINC000119483745 152208978 /nfs/dbraw/zinc/20/89/78/152208978.db2.gz JESLPPHJKPHHKM-ICSRJNTNSA-N 2 1 332.488 3.161 20 0 EGADMP COc1cccc(C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@@H]2CCCO2)c1 ZINC000119483745 152208979 /nfs/dbraw/zinc/20/89/79/152208979.db2.gz JESLPPHJKPHHKM-ICSRJNTNSA-N 2 1 332.488 3.161 20 0 EGADMP COc1cccc(C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@@H]2CCCO2)c1 ZINC000119483745 152208981 /nfs/dbraw/zinc/20/89/81/152208981.db2.gz JESLPPHJKPHHKM-ICSRJNTNSA-N 2 1 332.488 3.161 20 0 EGADMP C[N@@H+](CCC(=O)OC(C)(C)C)C1CCN(Cc2ccccc2)CC1 ZINC000121623482 152362825 /nfs/dbraw/zinc/36/28/25/152362825.db2.gz UKIHSACMRGOYSL-UHFFFAOYSA-N 2 1 332.488 3.315 20 0 EGADMP C[N@H+](CCC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121623482 152362829 /nfs/dbraw/zinc/36/28/29/152362829.db2.gz UKIHSACMRGOYSL-UHFFFAOYSA-N 2 1 332.488 3.315 20 0 EGADMP C[N@@H+](CCC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121623482 152362833 /nfs/dbraw/zinc/36/28/33/152362833.db2.gz UKIHSACMRGOYSL-UHFFFAOYSA-N 2 1 332.488 3.315 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2COC)[C@H](C)C1 ZINC000122049052 152386660 /nfs/dbraw/zinc/38/66/60/152386660.db2.gz JCQXYUSZCBJAPZ-YLJYHZDGSA-N 2 1 334.504 3.060 20 0 EGADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192922926 153266211 /nfs/dbraw/zinc/26/62/11/153266211.db2.gz CPEPJSDOECPHBZ-SFHVURJKSA-N 2 1 340.515 3.157 20 0 EGADMP CC(C)(C)n1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000192922493 153267030 /nfs/dbraw/zinc/26/70/30/153267030.db2.gz YXSMDNXYGANOCL-GOSISDBHSA-N 2 1 326.488 3.250 20 0 EGADMP CC(C)(C)n1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000192922493 153267037 /nfs/dbraw/zinc/26/70/37/153267037.db2.gz YXSMDNXYGANOCL-GOSISDBHSA-N 2 1 326.488 3.250 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000194583563 153345501 /nfs/dbraw/zinc/34/55/01/153345501.db2.gz DPGSWVRIQWBHML-FQEVSTJZSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195135815 153382910 /nfs/dbraw/zinc/38/29/10/153382910.db2.gz KQAPCBTWXPHOKB-FUHWJXTLSA-N 2 1 332.488 3.218 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCC(C)CC1)c1cccc(OC)c1 ZINC000341634545 155392571 /nfs/dbraw/zinc/39/25/71/155392571.db2.gz OVBFUBFAARFMOP-IBGZPJMESA-N 2 1 346.519 3.334 20 0 EGADMP C[C@@]1(C[NH2+]Cc2cnn(CC(F)F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000310971107 154145216 /nfs/dbraw/zinc/14/52/16/154145216.db2.gz DGPFFQFLGUSDIW-IBGZPJMESA-N 2 1 348.441 3.150 20 0 EGADMP C[C@@]1(C[NH2+]Cc2cnn(CC(F)F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310971107 154145218 /nfs/dbraw/zinc/14/52/18/154145218.db2.gz DGPFFQFLGUSDIW-IBGZPJMESA-N 2 1 348.441 3.150 20 0 EGADMP C[C@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCC[N@H+]1C ZINC000346803576 156141042 /nfs/dbraw/zinc/14/10/42/156141042.db2.gz FZWOGWWEHQCTNE-XCDJFROHSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC[NH+]1C ZINC000346803576 156141046 /nfs/dbraw/zinc/14/10/46/156141046.db2.gz FZWOGWWEHQCTNE-XCDJFROHSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC[NH+]1C ZINC000346803576 156141049 /nfs/dbraw/zinc/14/10/49/156141049.db2.gz FZWOGWWEHQCTNE-XCDJFROHSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCN1C ZINC000346803576 156141054 /nfs/dbraw/zinc/14/10/54/156141054.db2.gz FZWOGWWEHQCTNE-XCDJFROHSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCN1C ZINC000346803576 156141059 /nfs/dbraw/zinc/14/10/59/156141059.db2.gz FZWOGWWEHQCTNE-XCDJFROHSA-N 2 1 327.516 3.254 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ncc(C(C)C)s1 ZINC000349039438 156328146 /nfs/dbraw/zinc/32/81/46/156328146.db2.gz XLDWZLHRTNPGEL-INIZCTEOSA-N 2 1 338.565 3.114 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc2c(cccc2F)[nH]1 ZINC000349081802 156347698 /nfs/dbraw/zinc/34/76/98/156347698.db2.gz WETCFHHMTBLJLX-QGZVFWFLSA-N 2 1 346.494 3.155 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)Cc3ccc4ccccc4c3)CC[C@@H]21 ZINC000365559665 157170486 /nfs/dbraw/zinc/17/04/86/157170486.db2.gz SVRTWRYANYKSJV-VSKRKVRLSA-N 2 1 338.495 3.159 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)Cc3ccc4ccccc4c3)CC[C@@H]21 ZINC000365559665 157170489 /nfs/dbraw/zinc/17/04/89/157170489.db2.gz SVRTWRYANYKSJV-VSKRKVRLSA-N 2 1 338.495 3.159 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000372417111 157324696 /nfs/dbraw/zinc/32/46/96/157324696.db2.gz UHODKOOZGSOENI-UHFFFAOYSA-N 2 1 331.464 3.358 20 0 EGADMP CC[N@@H+](Cc1ccccn1)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000093338874 162003509 /nfs/dbraw/zinc/00/35/09/162003509.db2.gz XROMEKRYLWBVBO-UHFFFAOYSA-N 2 1 338.499 3.246 20 0 EGADMP CCOC[C@@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](CC)CC2)C1 ZINC000093419366 162011464 /nfs/dbraw/zinc/01/14/64/162011464.db2.gz ARKLVPCYQKKFAK-LJQANCHMSA-N 2 1 345.531 3.077 20 0 EGADMP c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093791816 162028790 /nfs/dbraw/zinc/02/87/90/162028790.db2.gz PUPAMLMNBISAGB-CTNGQTDRSA-N 2 1 344.499 3.162 20 0 EGADMP c1cc(OC[C@@H]2CCCO2)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093791816 162028793 /nfs/dbraw/zinc/02/87/93/162028793.db2.gz PUPAMLMNBISAGB-CTNGQTDRSA-N 2 1 344.499 3.162 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@]2(C)CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000248401577 163000561 /nfs/dbraw/zinc/00/05/61/163000561.db2.gz LXGUEJDYJWISKE-YFVAEKQCSA-N 2 1 343.515 3.030 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248446725 163007003 /nfs/dbraw/zinc/00/70/03/163007003.db2.gz WUUNRDHWPBJXLD-UONOGXRCSA-N 2 1 330.398 3.023 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248446725 163007006 /nfs/dbraw/zinc/00/70/06/163007006.db2.gz WUUNRDHWPBJXLD-UONOGXRCSA-N 2 1 330.398 3.023 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248446725 163007008 /nfs/dbraw/zinc/00/70/08/163007008.db2.gz WUUNRDHWPBJXLD-UONOGXRCSA-N 2 1 330.398 3.023 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000249089731 163055677 /nfs/dbraw/zinc/05/56/77/163055677.db2.gz KDENHHGLPDEEFY-PLACYPQZSA-N 2 1 340.511 3.446 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccc(C)nc2)[C@H](C)C1 ZINC000354334349 166004840 /nfs/dbraw/zinc/00/48/40/166004840.db2.gz MULZMEXSWVBVAG-XLIONFOSSA-N 2 1 333.520 3.049 20 0 EGADMP CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)CC(C)C ZINC000338390101 163222015 /nfs/dbraw/zinc/22/20/15/163222015.db2.gz QARBGWMJCMTLNQ-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)CC(C)C ZINC000338390101 163222019 /nfs/dbraw/zinc/22/20/19/163222019.db2.gz QARBGWMJCMTLNQ-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)CC(C)C ZINC000338390101 163222023 /nfs/dbraw/zinc/22/20/23/163222023.db2.gz QARBGWMJCMTLNQ-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP CCc1oc(C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)cc1C(=O)OC ZINC000338944100 163397784 /nfs/dbraw/zinc/39/77/84/163397784.db2.gz OYAPNGZVQTTWIY-UHFFFAOYSA-N 2 1 344.455 3.370 20 0 EGADMP CCc1oc(C[NH2+]Cc2cccc(C[N@H+](C)CC)c2)cc1C(=O)OC ZINC000338944100 163397785 /nfs/dbraw/zinc/39/77/85/163397785.db2.gz OYAPNGZVQTTWIY-UHFFFAOYSA-N 2 1 344.455 3.370 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC000343698556 164015552 /nfs/dbraw/zinc/01/55/52/164015552.db2.gz AZVJBVJDBSRASM-INIZCTEOSA-N 2 1 340.895 3.281 20 0 EGADMP COc1cc([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)ccc1F ZINC000343984128 164077020 /nfs/dbraw/zinc/07/70/20/164077020.db2.gz LXNXKOMHTJMVQM-CQSZACIVSA-N 2 1 347.434 3.021 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000344234303 164132998 /nfs/dbraw/zinc/13/29/98/164132998.db2.gz OUURRPDKMQARFW-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000344234303 164132999 /nfs/dbraw/zinc/13/29/99/164132999.db2.gz OUURRPDKMQARFW-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000344234303 164133000 /nfs/dbraw/zinc/13/30/00/164133000.db2.gz OUURRPDKMQARFW-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP O[C@]1(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000344506053 164185955 /nfs/dbraw/zinc/18/59/55/164185955.db2.gz AGZKGNAZKZOCME-ACRUOGEOSA-N 2 1 328.500 3.182 20 0 EGADMP O[C@]1(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344506053 164185957 /nfs/dbraw/zinc/18/59/57/164185957.db2.gz AGZKGNAZKZOCME-ACRUOGEOSA-N 2 1 328.500 3.182 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCO[C@@H]2CCCC[C@H]2C)C1 ZINC000350157074 165013935 /nfs/dbraw/zinc/01/39/35/165013935.db2.gz RBJAOCJNBKAJGT-GUDVDZBRSA-N 2 1 326.525 3.014 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000350369735 165039026 /nfs/dbraw/zinc/03/90/26/165039026.db2.gz SREPWQIAPPBKGJ-MRXNPFEDSA-N 2 1 349.500 3.336 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000350369735 165039030 /nfs/dbraw/zinc/03/90/30/165039030.db2.gz SREPWQIAPPBKGJ-MRXNPFEDSA-N 2 1 349.500 3.336 20 0 EGADMP CCN(C[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1)CC(F)(F)F ZINC000351327385 165098253 /nfs/dbraw/zinc/09/82/53/165098253.db2.gz KVJXCJIHUGJDPJ-CVEARBPZSA-N 2 1 335.458 3.067 20 0 EGADMP CCN(C[C@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1)CC(F)(F)F ZINC000351327385 165098255 /nfs/dbraw/zinc/09/82/55/165098255.db2.gz KVJXCJIHUGJDPJ-CVEARBPZSA-N 2 1 335.458 3.067 20 0 EGADMP CCN(C[C@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1)CC(F)(F)F ZINC000351327385 165098259 /nfs/dbraw/zinc/09/82/59/165098259.db2.gz KVJXCJIHUGJDPJ-CVEARBPZSA-N 2 1 335.458 3.067 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000352045442 165208178 /nfs/dbraw/zinc/20/81/78/165208178.db2.gz PSENBVLHJAZZTN-OREBXVKISA-N 2 1 331.504 3.055 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000352045440 165208610 /nfs/dbraw/zinc/20/86/10/165208610.db2.gz PSENBVLHJAZZTN-CNMWIUBYSA-N 2 1 331.504 3.055 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]CCCn2ccc3ccccc32)s1 ZINC000352242034 165303755 /nfs/dbraw/zinc/30/37/55/165303755.db2.gz OOEKTBIFTYGSTD-UHFFFAOYSA-N 2 1 328.485 3.339 20 0 EGADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000355807284 166316181 /nfs/dbraw/zinc/31/61/81/166316181.db2.gz GWIDVJZNKZQXSC-UHFFFAOYSA-N 2 1 331.504 3.085 20 0 EGADMP COc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1OC(F)F ZINC000359209541 167096401 /nfs/dbraw/zinc/09/64/01/167096401.db2.gz CWQBVNNZGVLJIJ-UHFFFAOYSA-N 2 1 328.403 3.118 20 0 EGADMP C[C@H](CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000365792281 168044409 /nfs/dbraw/zinc/04/44/09/168044409.db2.gz BLSXPSSEEUZWJR-SFHLNBCPSA-N 2 1 329.532 3.138 20 0 EGADMP Cn1nccc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000365927812 168060532 /nfs/dbraw/zinc/06/05/32/168060532.db2.gz MGJIPNKIQIIIHK-HLAWJBBLSA-N 2 1 338.499 3.201 20 0 EGADMP C[NH+]1CCC2(CCC[N@H+](Cc3noc(-c4ccsc4)n3)C2)CC1 ZINC000366865281 168150650 /nfs/dbraw/zinc/15/06/50/168150650.db2.gz NHVITPDFZGPTCP-UHFFFAOYSA-N 2 1 332.473 3.106 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3noc(-c4ccsc4)n3)C2)CC1 ZINC000366865281 168150651 /nfs/dbraw/zinc/15/06/51/168150651.db2.gz NHVITPDFZGPTCP-UHFFFAOYSA-N 2 1 332.473 3.106 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000366909666 168155276 /nfs/dbraw/zinc/15/52/76/168155276.db2.gz REJKRUFLZMEVEV-LKUPVBHCSA-N 2 1 342.458 3.359 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCSC1CCCCC1 ZINC000367042339 168171580 /nfs/dbraw/zinc/17/15/80/168171580.db2.gz GMBNQNIODBOACP-KBAYOESNSA-N 2 1 326.550 3.236 20 0 EGADMP C[C@@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCC[C@@H]1O ZINC000159193989 225168457 /nfs/dbraw/zinc/16/84/57/225168457.db2.gz UMCWVXGVVYVOKY-SFTDATJTSA-N 2 1 348.506 3.363 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cncc(F)c3)CC2)oc1C ZINC000162769908 225868368 /nfs/dbraw/zinc/86/83/68/225868368.db2.gz CXEZSOOTDFCQRA-CQSZACIVSA-N 2 1 346.450 3.388 20 0 EGADMP CC1(C)[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C[C@H]1c1ccccc1 ZINC000123220951 222238314 /nfs/dbraw/zinc/23/83/14/222238314.db2.gz WUSCASLFSLCYSL-AABGKKOBSA-N 2 1 330.516 3.395 20 0 EGADMP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)C1CC1 ZINC000179163271 265365397 /nfs/dbraw/zinc/36/53/97/265365397.db2.gz SVXRECOJDNMPKE-UHFFFAOYSA-N 2 1 329.488 3.485 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3(C[NH3+])CCCC3)cc2)C1 ZINC000237478106 266235195 /nfs/dbraw/zinc/23/51/95/266235195.db2.gz ZENCNMVIAXRTAE-MRXNPFEDSA-N 2 1 329.488 3.376 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000268881112 266285237 /nfs/dbraw/zinc/28/52/37/266285237.db2.gz RLUUVCTZGXJJMB-QGZVFWFLSA-N 2 1 348.288 3.491 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000273255451 267007024 /nfs/dbraw/zinc/00/70/24/267007024.db2.gz CSFGOROVWMOPGL-GFCCVEGCSA-N 2 1 329.379 3.122 20 0 EGADMP CC(C)N(C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000274852219 267297013 /nfs/dbraw/zinc/29/70/13/267297013.db2.gz RJLVWLIREBLVDP-ICSRJNTNSA-N 2 1 345.531 3.132 20 0 EGADMP CC(C)N(C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000274852219 267297015 /nfs/dbraw/zinc/29/70/15/267297015.db2.gz RJLVWLIREBLVDP-ICSRJNTNSA-N 2 1 345.531 3.132 20 0 EGADMP CC(C)N(C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000274852218 267297723 /nfs/dbraw/zinc/29/77/23/267297723.db2.gz RJLVWLIREBLVDP-AZUAARDMSA-N 2 1 345.531 3.132 20 0 EGADMP CC(C)N(C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000274852218 267297724 /nfs/dbraw/zinc/29/77/24/267297724.db2.gz RJLVWLIREBLVDP-AZUAARDMSA-N 2 1 345.531 3.132 20 0 EGADMP C[C@H]([NH2+]C[C@](C)(O)c1cccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274928851 267308223 /nfs/dbraw/zinc/30/82/23/267308223.db2.gz QNJYOSUNYDPKPG-HQRMLTQVSA-N 2 1 344.524 3.456 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)[C@@H](C)C1 ZINC000277032504 267680033 /nfs/dbraw/zinc/68/00/33/267680033.db2.gz FJVRGAFBXMPUGQ-VRXWPRPYSA-N 2 1 348.506 3.219 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192054764 275223336 /nfs/dbraw/zinc/22/33/36/275223336.db2.gz FSSYRCQZHHOKQJ-SFHVURJKSA-N 2 1 326.488 3.344 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192054764 275223337 /nfs/dbraw/zinc/22/33/37/275223337.db2.gz FSSYRCQZHHOKQJ-SFHVURJKSA-N 2 1 326.488 3.344 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192054764 275223339 /nfs/dbraw/zinc/22/33/39/275223339.db2.gz FSSYRCQZHHOKQJ-SFHVURJKSA-N 2 1 326.488 3.344 20 0 EGADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)[C@H]1C ZINC000279868582 275367764 /nfs/dbraw/zinc/36/77/64/275367764.db2.gz JMGWCDNZBOUGMF-XKGZKEIXSA-N 2 1 344.499 3.002 20 0 EGADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)[C@H]1C ZINC000279868582 275367765 /nfs/dbraw/zinc/36/77/65/275367765.db2.gz JMGWCDNZBOUGMF-XKGZKEIXSA-N 2 1 344.499 3.002 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000282213195 275611783 /nfs/dbraw/zinc/61/17/83/275611783.db2.gz JKRCTSBGDDYWNK-ZDUSSCGKSA-N 2 1 329.473 3.079 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000354362492 276024757 /nfs/dbraw/zinc/02/47/57/276024757.db2.gz WTBJRZCMKVSHEB-VQTJNVASSA-N 2 1 345.531 3.276 20 0 EGADMP FC(F)(F)[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000287691643 276147966 /nfs/dbraw/zinc/14/79/66/276147966.db2.gz NDWIGXBNWIDSNH-DLBZAZTESA-N 2 1 342.405 3.134 20 0 EGADMP FC(F)(F)[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000287691643 276147968 /nfs/dbraw/zinc/14/79/68/276147968.db2.gz NDWIGXBNWIDSNH-DLBZAZTESA-N 2 1 342.405 3.134 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000356046091 276286368 /nfs/dbraw/zinc/28/63/68/276286368.db2.gz SBOORKNYWSAIFV-UXHICEINSA-N 2 1 345.531 3.276 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(OC2CCCC2)c1 ZINC000289567747 276359156 /nfs/dbraw/zinc/35/91/56/276359156.db2.gz ZKFFQSNDJFJCHD-UHFFFAOYSA-N 2 1 345.531 3.077 20 0 EGADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289783818 276393939 /nfs/dbraw/zinc/39/39/39/276393939.db2.gz KRGZMKBAHUCTDH-IBGZPJMESA-N 2 1 326.488 3.120 20 0 EGADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289783818 276393940 /nfs/dbraw/zinc/39/39/40/276393940.db2.gz KRGZMKBAHUCTDH-IBGZPJMESA-N 2 1 326.488 3.120 20 0 EGADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289783829 276393954 /nfs/dbraw/zinc/39/39/54/276393954.db2.gz KRGZMKBAHUCTDH-LJQANCHMSA-N 2 1 326.488 3.120 20 0 EGADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289783829 276393955 /nfs/dbraw/zinc/39/39/55/276393955.db2.gz KRGZMKBAHUCTDH-LJQANCHMSA-N 2 1 326.488 3.120 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)c1ccccc1Cl ZINC000178816749 276819693 /nfs/dbraw/zinc/81/96/93/276819693.db2.gz YVIDPZFOOXYPPH-ROUUACIJSA-N 2 1 345.874 3.149 20 0 EGADMP CC(=O)NCCc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000356674023 277034452 /nfs/dbraw/zinc/03/44/52/277034452.db2.gz JMBVPKHOJPQVAE-QZTJIDSGSA-N 2 1 345.531 3.280 20 0 EGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000337812563 277388919 /nfs/dbraw/zinc/38/89/19/277388919.db2.gz NAIINMSFFTVVFU-INIZCTEOSA-N 2 1 335.458 3.113 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000337812563 277388920 /nfs/dbraw/zinc/38/89/20/277388920.db2.gz NAIINMSFFTVVFU-INIZCTEOSA-N 2 1 335.458 3.113 20 0 EGADMP CC[NH+](CC)CC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000357871144 279090528 /nfs/dbraw/zinc/09/05/28/279090528.db2.gz NLFSOFPGJUDRTA-HDICACEKSA-N 2 1 345.531 3.123 20 0 EGADMP CC(C)C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000345689585 279158866 /nfs/dbraw/zinc/15/88/66/279158866.db2.gz JHXIXWVHBJXNRI-UXHICEINSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)N1CCCC[C@@H]1C ZINC000156213942 279455683 /nfs/dbraw/zinc/45/56/83/279455683.db2.gz FQQJMILKUZQYRT-IRXDYDNUSA-N 2 1 335.536 3.163 20 0 EGADMP COc1cccc([C@H](C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)N(C)C)c1 ZINC000261753485 295325796 /nfs/dbraw/zinc/32/57/96/295325796.db2.gz UZGZVEGWHFKWRF-HQRMLTQVSA-N 2 1 333.520 3.198 20 0 EGADMP CCCCNC(=O)C1([NH2+]CCCCn2cc[nH+]c2C)CCCCC1 ZINC000129225109 307611849 /nfs/dbraw/zinc/61/18/49/307611849.db2.gz FBWRCRARYDEBGH-UHFFFAOYSA-N 2 1 334.508 3.181 20 0 EGADMP OC1CC[NH+](CCC[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414084141 309060141 /nfs/dbraw/zinc/06/01/41/309060141.db2.gz XLBKPCDHAVNUIH-WMZOPIPTSA-N 2 1 336.907 3.413 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CCCO1 ZINC000414122195 309062223 /nfs/dbraw/zinc/06/22/23/309062223.db2.gz AYZXKFUPDGSZAW-BRWVUGGUSA-N 2 1 326.525 3.059 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CCCO1 ZINC000414122195 309062224 /nfs/dbraw/zinc/06/22/24/309062224.db2.gz AYZXKFUPDGSZAW-BRWVUGGUSA-N 2 1 326.525 3.059 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)[C@H](C)C1 ZINC000414179530 309065104 /nfs/dbraw/zinc/06/51/04/309065104.db2.gz KTCZBOCLAVLPFV-DJABAAGCSA-N 2 1 334.479 3.408 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000414191484 309065962 /nfs/dbraw/zinc/06/59/62/309065962.db2.gz SOCGJOKQQVKRBM-MJGOQNOKSA-N 2 1 326.488 3.314 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H](O)C(C)C ZINC000414296025 309071164 /nfs/dbraw/zinc/07/11/64/309071164.db2.gz OBMOYDQNPARQQL-UXHICEINSA-N 2 1 336.495 3.218 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)nn1C ZINC000414298162 309071373 /nfs/dbraw/zinc/07/13/73/309071373.db2.gz ZANAKICAVYQTJR-MRXNPFEDSA-N 2 1 326.488 3.250 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)nn1C ZINC000414298162 309071374 /nfs/dbraw/zinc/07/13/74/309071374.db2.gz ZANAKICAVYQTJR-MRXNPFEDSA-N 2 1 326.488 3.250 20 0 EGADMP COC1([C@@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCC1 ZINC000414312013 309072083 /nfs/dbraw/zinc/07/20/83/309072083.db2.gz IZHPQTAAIVQGRE-MRXNPFEDSA-N 2 1 334.479 3.380 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000414317273 309072463 /nfs/dbraw/zinc/07/24/63/309072463.db2.gz VROJVQKBBGXIEM-MSOLQXFVSA-N 2 1 328.435 3.036 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000414317273 309072464 /nfs/dbraw/zinc/07/24/64/309072464.db2.gz VROJVQKBBGXIEM-MSOLQXFVSA-N 2 1 328.435 3.036 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCOC3CCCC3)CC2)cc1 ZINC000163256765 307921200 /nfs/dbraw/zinc/92/12/00/307921200.db2.gz MLBCGUPRSRILKY-UHFFFAOYSA-N 2 1 334.479 3.381 20 0 EGADMP C[C@@H](NCC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248540444 308005305 /nfs/dbraw/zinc/00/53/05/308005305.db2.gz BDCPHUGGDOMAGZ-XSYGEPLQSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248540444 308005306 /nfs/dbraw/zinc/00/53/06/308005306.db2.gz BDCPHUGGDOMAGZ-XSYGEPLQSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248540444 308005307 /nfs/dbraw/zinc/00/53/07/308005307.db2.gz BDCPHUGGDOMAGZ-XSYGEPLQSA-N 2 1 349.563 3.266 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000250638187 308029860 /nfs/dbraw/zinc/02/98/60/308029860.db2.gz SMZDRZJDVFCHOO-DYVFJYSZSA-N 2 1 337.305 3.238 20 0 EGADMP C[N@H+]1CCC[C@]2(CCN(CC(=O)Nc3ccc4ccccc4c3)C2)C1 ZINC000293056671 308094945 /nfs/dbraw/zinc/09/49/45/308094945.db2.gz UMWLAXOQMFQTSU-NRFANRHFSA-N 2 1 337.467 3.196 20 0 EGADMP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000293566184 308142530 /nfs/dbraw/zinc/14/25/30/308142530.db2.gz XTPROPQKUFASHD-FTRWYGJKSA-N 2 1 332.463 3.367 20 0 EGADMP OC1CC[NH+](CCC[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000293609441 308146267 /nfs/dbraw/zinc/14/62/67/308146267.db2.gz GNRUOSARTZOBBL-IBGZPJMESA-N 2 1 336.907 3.098 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293755433 308158969 /nfs/dbraw/zinc/15/89/69/308158969.db2.gz QSADBAQOOGGQFX-OIISXLGYSA-N 2 1 328.435 3.289 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccnc1C ZINC000414523418 309086342 /nfs/dbraw/zinc/08/63/42/309086342.db2.gz FKMASPVTXYMNGU-NHCUHLMSSA-N 2 1 339.483 3.017 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccnc1C ZINC000414523418 309086343 /nfs/dbraw/zinc/08/63/43/309086343.db2.gz FKMASPVTXYMNGU-NHCUHLMSSA-N 2 1 339.483 3.017 20 0 EGADMP Cc1ncsc1CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000294692777 308246390 /nfs/dbraw/zinc/24/63/90/308246390.db2.gz ATNDFHMJIAJYPZ-GBESFXJTSA-N 2 1 341.524 3.494 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H](C)[NH2+]C2CC2)c1 ZINC000294927582 308272498 /nfs/dbraw/zinc/27/24/98/308272498.db2.gz AZWGZDDRQIDQAV-MRXNPFEDSA-N 2 1 331.504 3.065 20 0 EGADMP CC[N@H+]1CC[C@H](NCc2c(Cl)cccc2-n2ccnc2)[C@@H](C)C1 ZINC000296070570 308390438 /nfs/dbraw/zinc/39/04/38/308390438.db2.gz PVWUFSQXZJATBL-YOEHRIQHSA-N 3 1 332.879 3.346 20 0 EGADMP C[NH2+][C@H](C)Cc1noc([C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n1 ZINC000414653523 309093675 /nfs/dbraw/zinc/09/36/75/309093675.db2.gz XQBJCLLPRUHHSK-HIFRSBDPSA-N 2 1 343.475 3.194 20 0 EGADMP Cc1cccc([C@@H]2CCCC[N@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)c1C ZINC000414700383 309096091 /nfs/dbraw/zinc/09/60/91/309096091.db2.gz GGZHAHRQICUXBR-QUCCMNQESA-N 2 1 343.515 3.028 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@H](C[NH3+])C1)C1CCCCC1 ZINC000414712732 309096767 /nfs/dbraw/zinc/09/67/67/309096767.db2.gz ODKLGCAGWJECKB-MRXNPFEDSA-N 2 1 344.503 3.264 20 0 EGADMP C[C@H](c1ccccc1Cl)[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414675274 309095003 /nfs/dbraw/zinc/09/50/03/309095003.db2.gz LUPIUXZDRIVIRO-HUUCEWRRSA-N 2 1 349.906 3.063 20 0 EGADMP COc1cccc(C[N@@H+](C[C@@H]2CCCO2)C[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414686142 309095305 /nfs/dbraw/zinc/09/53/05/309095305.db2.gz FLDZETXCDHINTA-POAQFYNOSA-N 2 1 332.488 3.064 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCc3c(Br)ccc(F)c3C2)CC[NH2+]1 ZINC000414719116 309097330 /nfs/dbraw/zinc/09/73/30/309097330.db2.gz XIWCFZBFXYBAGD-VXGBXAGGSA-N 2 1 341.268 3.334 20 0 EGADMP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414763272 309099281 /nfs/dbraw/zinc/09/92/81/309099281.db2.gz BQFHZSBMDIPUDC-TXEJJXNPSA-N 2 1 329.271 3.433 20 0 EGADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000297535546 308543271 /nfs/dbraw/zinc/54/32/71/308543271.db2.gz BIDCKJGGWRMPSO-UHFFFAOYSA-N 2 1 326.444 3.206 20 0 EGADMP COc1cc(C[N@H+](C)C2CC([NH3+])C2)ccc1OCc1ccccc1 ZINC000414769335 309099664 /nfs/dbraw/zinc/09/96/64/309099664.db2.gz JYFCNFYPAWJEPA-UHFFFAOYSA-N 2 1 326.440 3.196 20 0 EGADMP COc1cc(C[N@@H+](C)C2CC([NH3+])C2)ccc1OCc1ccccc1 ZINC000414769335 309099665 /nfs/dbraw/zinc/09/96/65/309099665.db2.gz JYFCNFYPAWJEPA-UHFFFAOYSA-N 2 1 326.440 3.196 20 0 EGADMP c1sc(COc2ccccc2)nc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414770923 309099770 /nfs/dbraw/zinc/09/97/70/309099770.db2.gz PVRQCMMSELNOLR-IYBDPMFKSA-N 2 1 343.496 3.154 20 0 EGADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000414785874 309101159 /nfs/dbraw/zinc/10/11/59/309101159.db2.gz AACNWSBJDUNZTH-FQEVSTJZSA-N 2 1 349.482 3.066 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000414810727 309103068 /nfs/dbraw/zinc/10/30/68/309103068.db2.gz IJIGMEWJOGHTGI-ZIAGYGMSSA-N 2 1 325.884 3.473 20 0 EGADMP COc1cc(C[NH2+][C@@H](C[NH3+])CC(C)C)ccc1OCC(F)(F)F ZINC000414852522 309105580 /nfs/dbraw/zinc/10/55/80/309105580.db2.gz RFKLXTGLEXBRLR-CYBMUJFWSA-N 2 1 334.382 3.099 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414900717 309108166 /nfs/dbraw/zinc/10/81/66/309108166.db2.gz INXJPIBWTPEAJK-IBGZPJMESA-N 2 1 330.451 3.108 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414906604 309108562 /nfs/dbraw/zinc/10/85/62/309108562.db2.gz MIIGQWILFPDWNQ-FQEVSTJZSA-N 2 1 325.456 3.237 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c(C)c1 ZINC000414936596 309110134 /nfs/dbraw/zinc/11/01/34/309110134.db2.gz WSLQVOIWCCRPQF-FUHWJXTLSA-N 2 1 331.504 3.388 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2OC(F)F)CC[NH2+]1 ZINC000414946008 309110661 /nfs/dbraw/zinc/11/06/61/309110661.db2.gz JEBCTNMYDVGFSA-KOLCDFICSA-N 2 1 349.219 3.281 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CC[NH2+]1 ZINC000414944601 309110558 /nfs/dbraw/zinc/11/05/58/309110558.db2.gz HCPDMSLQISOYIE-JOYOIKCWSA-N 2 1 349.219 3.281 20 0 EGADMP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H](C)C[NH3+] ZINC000414947340 309110760 /nfs/dbraw/zinc/11/07/60/309110760.db2.gz UYAODQRCILVSGF-BDAKNGLRSA-N 2 1 337.773 3.013 20 0 EGADMP Cc1ccc(COc2ccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)cc2)cc1 ZINC000415029372 309115367 /nfs/dbraw/zinc/11/53/67/309115367.db2.gz AWCWKLKUEYJAID-NRFANRHFSA-N 2 1 340.467 3.042 20 0 EGADMP CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000415080317 309118843 /nfs/dbraw/zinc/11/88/43/309118843.db2.gz IWGOXIZXUCFOBT-WOJBJXKFSA-N 2 1 343.515 3.106 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@@H]1C[NH3+] ZINC000415122019 309121848 /nfs/dbraw/zinc/12/18/48/309121848.db2.gz HYFWOJWGNHMUOZ-LPHOPBHVSA-N 2 1 325.456 3.077 20 0 EGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3csc(-c4ccco4)n3)CC2)C1 ZINC000415124738 309121998 /nfs/dbraw/zinc/12/19/98/309121998.db2.gz NFLUIVIRYAQFBG-YOEHRIQHSA-N 2 1 347.484 3.121 20 0 EGADMP [NH3+]C1(CNCc2ccc(Cl)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000415139957 309123349 /nfs/dbraw/zinc/12/33/49/309123349.db2.gz YDTMHTCVEJPJGG-UHFFFAOYSA-N 2 1 349.931 3.485 20 0 EGADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000415761755 309143381 /nfs/dbraw/zinc/14/33/81/309143381.db2.gz VAPHMAJOOJKCHX-KRWDZBQOSA-N 2 1 337.427 3.027 20 0 EGADMP C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@@H]1CC[NH2+]C1 ZINC000420303460 309280601 /nfs/dbraw/zinc/28/06/01/309280601.db2.gz KJTPMAODQYFQGU-HNNXBMFYSA-N 2 1 330.451 3.080 20 0 EGADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H]2CCCC[C@@H]12 ZINC000420305963 309280725 /nfs/dbraw/zinc/28/07/25/309280725.db2.gz QENOCOMUIHXTJX-SIRBJWHBSA-N 2 1 349.563 3.170 20 0 EGADMP c1csc(C[N@H+](CCCc2ccncc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000420312691 309281234 /nfs/dbraw/zinc/28/12/34/309281234.db2.gz OTLGGYNQYJKSHG-QGZVFWFLSA-N 2 1 342.512 3.115 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000420313055 309281251 /nfs/dbraw/zinc/28/12/51/309281251.db2.gz TXNSWYHFBCIORT-POAQFYNOSA-N 2 1 337.467 3.344 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000420313055 309281252 /nfs/dbraw/zinc/28/12/52/309281252.db2.gz TXNSWYHFBCIORT-POAQFYNOSA-N 2 1 337.467 3.344 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000420312390 309281256 /nfs/dbraw/zinc/28/12/56/309281256.db2.gz WWWXTVFDEIKANE-FSSWDIPSSA-N 2 1 338.495 3.187 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000420319642 309281854 /nfs/dbraw/zinc/28/18/54/309281854.db2.gz RVFCMBZKCMZHPB-AWEZNQCLSA-N 2 1 330.428 3.313 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000420319642 309281855 /nfs/dbraw/zinc/28/18/55/309281855.db2.gz RVFCMBZKCMZHPB-AWEZNQCLSA-N 2 1 330.428 3.313 20 0 EGADMP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420322008 309282216 /nfs/dbraw/zinc/28/22/16/309282216.db2.gz DPRRSRKGNYAGHI-XHSDSOJGSA-N 2 1 347.528 3.057 20 0 EGADMP CCn1c2cccc(F)c2nc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420335696 309283096 /nfs/dbraw/zinc/28/30/96/309283096.db2.gz KXKRBFPTQLZAPX-INIZCTEOSA-N 2 1 330.451 3.159 20 0 EGADMP FC(F)Oc1ccc([C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420364561 309284265 /nfs/dbraw/zinc/28/42/65/309284265.db2.gz RERPUTPVWVFDPP-YOEHRIQHSA-N 2 1 340.414 3.051 20 0 EGADMP FC(F)Oc1ccc([C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420364552 309284278 /nfs/dbraw/zinc/28/42/78/309284278.db2.gz RERPUTPVWVFDPP-PBHICJAKSA-N 2 1 340.414 3.051 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420376629 309285186 /nfs/dbraw/zinc/28/51/86/309285186.db2.gz VHUZFVLFXBZHQG-MRXNPFEDSA-N 2 1 335.517 3.234 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000420397365 309286329 /nfs/dbraw/zinc/28/63/29/309286329.db2.gz FZSOBAATQZGLIL-NVXWUHKLSA-N 2 1 325.456 3.085 20 0 EGADMP c1cc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)ccc1C[NH+]1CCOCC1 ZINC000420919253 309300806 /nfs/dbraw/zinc/30/08/06/309300806.db2.gz YQTHDSUAMARFDC-PMACEKPBSA-N 2 1 346.540 3.379 20 0 EGADMP c1cc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)ccc1C[NH+]1CCOCC1 ZINC000420919253 309300807 /nfs/dbraw/zinc/30/08/07/309300807.db2.gz YQTHDSUAMARFDC-PMACEKPBSA-N 2 1 346.540 3.379 20 0 EGADMP C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420966718 309304762 /nfs/dbraw/zinc/30/47/62/309304762.db2.gz RJCPFHJBWVLZEO-WIYYLYMNSA-N 2 1 346.515 3.034 20 0 EGADMP C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420966718 309304763 /nfs/dbraw/zinc/30/47/63/309304763.db2.gz RJCPFHJBWVLZEO-WIYYLYMNSA-N 2 1 346.515 3.034 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3cccc(F)c3)CC2)CC1 ZINC000420978596 309305694 /nfs/dbraw/zinc/30/56/94/309305694.db2.gz JEJNBYGIQYXIBG-QGZVFWFLSA-N 2 1 333.495 3.379 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C/C=C/c3ccccc3)CC2)CC1 ZINC000421004023 309307242 /nfs/dbraw/zinc/30/72/42/309307242.db2.gz HQUGIMPUGUBUIQ-UXBLZVDNSA-N 2 1 327.516 3.192 20 0 EGADMP OC1(CCC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000421374049 309321427 /nfs/dbraw/zinc/32/14/27/309321427.db2.gz NBDDSURFNPWXHJ-SLFFLAALSA-N 2 1 328.500 3.182 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCc3cccc(C)c3)CC2)CC1 ZINC000421374586 309321465 /nfs/dbraw/zinc/32/14/65/309321465.db2.gz NZRDCJWDAGTPQG-UHFFFAOYSA-N 2 1 329.532 3.030 20 0 EGADMP CC(C)(CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000422702952 309363911 /nfs/dbraw/zinc/36/39/11/309363911.db2.gz LWQCKMQVPYEUNO-QHAWAJNXSA-N 2 1 341.543 3.334 20 0 EGADMP CC(C)(CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422702952 309363912 /nfs/dbraw/zinc/36/39/12/309363912.db2.gz LWQCKMQVPYEUNO-QHAWAJNXSA-N 2 1 341.543 3.334 20 0 EGADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)C[C@@H]2CCCCC[NH2+]2)[C@@H](C)C1 ZINC000422746373 309366275 /nfs/dbraw/zinc/36/62/75/309366275.db2.gz NTSRSXDQFNSSIK-YRPNKDGESA-N 2 1 339.568 3.024 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)[C@@H](C)C1 ZINC000422746373 309366276 /nfs/dbraw/zinc/36/62/76/309366276.db2.gz NTSRSXDQFNSSIK-YRPNKDGESA-N 3 1 339.568 3.024 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)[C@@H](C)C1 ZINC000422746373 309366277 /nfs/dbraw/zinc/36/62/77/309366277.db2.gz NTSRSXDQFNSSIK-YRPNKDGESA-N 3 1 339.568 3.024 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)N(C)C ZINC000422747558 309366434 /nfs/dbraw/zinc/36/64/34/309366434.db2.gz QKBRYTPIAFUTNM-QYZOEREBSA-N 2 1 325.456 3.032 20 0 EGADMP COc1ccccc1[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)[NH+](C)C ZINC000422747558 309366435 /nfs/dbraw/zinc/36/64/35/309366435.db2.gz QKBRYTPIAFUTNM-QYZOEREBSA-N 2 1 325.456 3.032 20 0 EGADMP C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)c1c[nH+]ccc1N ZINC000422766042 309367129 /nfs/dbraw/zinc/36/71/29/309367129.db2.gz RIMVVHFSTXVWQZ-CQSZACIVSA-N 2 1 329.419 3.032 20 0 EGADMP COc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)N2CCCCC2)cc1 ZINC000422768454 309367252 /nfs/dbraw/zinc/36/72/52/309367252.db2.gz TUBIGOZXSYTDFF-VHRCFOOQSA-N 2 1 343.515 3.095 20 0 EGADMP CCN(CC)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cccc(OC)c1 ZINC000422788505 309368318 /nfs/dbraw/zinc/36/83/18/309368318.db2.gz AVFNAENFCRSIFZ-YZGWKJHDSA-N 2 1 333.520 3.185 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)c2ccccc21 ZINC000422798249 309369013 /nfs/dbraw/zinc/36/90/13/309369013.db2.gz QHWMUIRCYAGSEK-QQGDVQBRSA-N 2 1 348.849 3.365 20 0 EGADMP c1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(N4CCCC4)nc3)CC[NH2+]2)cc1 ZINC000422825113 309370421 /nfs/dbraw/zinc/37/04/21/309370421.db2.gz IYGGAKJVVGWXCS-WOJBJXKFSA-N 2 1 336.483 3.265 20 0 EGADMP C[C@H](CCN[C@H](Cc1ccccc1)[C@H](C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422829021 309370745 /nfs/dbraw/zinc/37/07/45/309370745.db2.gz UHUMJMXSGQEBKU-XQBPLPMBSA-N 2 1 339.527 3.445 20 0 EGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422832764 309370970 /nfs/dbraw/zinc/37/09/70/309370970.db2.gz FYBLMLSKEPWGLR-RSPOEFSDSA-N 3 1 347.572 3.470 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422832764 309370971 /nfs/dbraw/zinc/37/09/71/309370971.db2.gz FYBLMLSKEPWGLR-RSPOEFSDSA-N 3 1 347.572 3.470 20 0 EGADMP c1csc(C[N@H+]2CCC[C@H](CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422832764 309370972 /nfs/dbraw/zinc/37/09/72/309370972.db2.gz FYBLMLSKEPWGLR-RSPOEFSDSA-N 2 1 347.572 3.470 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@H](CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422832764 309370973 /nfs/dbraw/zinc/37/09/73/309370973.db2.gz FYBLMLSKEPWGLR-RSPOEFSDSA-N 2 1 347.572 3.470 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](C(C)C)N1CCC(C)CC1 ZINC000422843946 309371746 /nfs/dbraw/zinc/37/17/46/309371746.db2.gz KEKRLSQUPWBFLO-OXQOHEQNSA-N 2 1 332.536 3.256 20 0 EGADMP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422873114 309373142 /nfs/dbraw/zinc/37/31/42/309373142.db2.gz KAVSEJFRNIBBEA-MTFMMBMASA-N 2 1 346.515 3.419 20 0 EGADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)N2CCCC2)o1 ZINC000422885990 309373987 /nfs/dbraw/zinc/37/39/87/309373987.db2.gz ZVYWGMNTXUBWEY-MANSERQUSA-N 2 1 331.504 3.235 20 0 EGADMP CCC([NH3+])(CC)CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422885703 309373993 /nfs/dbraw/zinc/37/39/93/309373993.db2.gz ZFGKWPVLERLNPM-INIZCTEOSA-N 2 1 346.519 3.127 20 0 EGADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N2CCCC2)o1 ZINC000422885991 309374029 /nfs/dbraw/zinc/37/40/29/309374029.db2.gz ZVYWGMNTXUBWEY-MKXGPGLRSA-N 2 1 331.504 3.235 20 0 EGADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422926646 309376429 /nfs/dbraw/zinc/37/64/29/309376429.db2.gz XFSRKEIVNNUDPP-CPLUKWAASA-N 2 1 331.504 3.225 20 0 EGADMP c1coc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)[NH+]2CCCCC2)c1 ZINC000422967423 309378730 /nfs/dbraw/zinc/37/87/30/309378730.db2.gz TUJBJZNBANXCES-OKYOBFRVSA-N 2 1 331.504 3.317 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423039052 309382413 /nfs/dbraw/zinc/38/24/13/309382413.db2.gz ZYWLOEODQOGACV-SJORKVTESA-N 2 1 342.314 3.427 20 0 EGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423039051 309382417 /nfs/dbraw/zinc/38/24/17/309382417.db2.gz ZYWLOEODQOGACV-IRXDYDNUSA-N 2 1 342.314 3.427 20 0 EGADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000423049776 309382946 /nfs/dbraw/zinc/38/29/46/309382946.db2.gz KTTSPFPFTNGUEZ-HLIPFELVSA-N 2 1 340.398 3.105 20 0 EGADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CCO2 ZINC000423053429 309383249 /nfs/dbraw/zinc/38/32/49/309383249.db2.gz SGFXIKBQKXCKND-AITUJVMLSA-N 2 1 330.472 3.419 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000423061588 309383722 /nfs/dbraw/zinc/38/37/22/309383722.db2.gz LBTBARFZAMXZCB-VNHYZAJKSA-N 2 1 327.394 3.014 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000423066879 309384066 /nfs/dbraw/zinc/38/40/66/309384066.db2.gz FQLARQCVSANEQV-CORIIIEPSA-N 2 1 328.287 3.302 20 0 EGADMP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000423073809 309384403 /nfs/dbraw/zinc/38/44/03/309384403.db2.gz JWRFGOCHJAKZIO-IRLDBZIGSA-N 2 1 349.478 3.306 20 0 EGADMP C[C@@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)c1c[nH+]ccc1N ZINC000423072787 309384448 /nfs/dbraw/zinc/38/44/48/309384448.db2.gz JWHOBQOHSPCNJR-LLVKDONJSA-N 2 1 340.349 3.028 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423134215 309387558 /nfs/dbraw/zinc/38/75/58/309387558.db2.gz DRFAEIRYUPDLPZ-HLAWJBBLSA-N 3 1 329.532 3.266 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423134215 309387559 /nfs/dbraw/zinc/38/75/59/309387559.db2.gz DRFAEIRYUPDLPZ-HLAWJBBLSA-N 2 1 329.532 3.266 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423134215 309387560 /nfs/dbraw/zinc/38/75/60/309387560.db2.gz DRFAEIRYUPDLPZ-HLAWJBBLSA-N 2 1 329.532 3.266 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423202322 309390249 /nfs/dbraw/zinc/39/02/49/309390249.db2.gz AQZGSJIQLICYIB-CMOCDZPBSA-N 2 1 341.543 3.266 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NC[C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423202322 309390250 /nfs/dbraw/zinc/39/02/50/309390250.db2.gz AQZGSJIQLICYIB-CMOCDZPBSA-N 2 1 341.543 3.266 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NC[C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423202322 309390251 /nfs/dbraw/zinc/39/02/51/309390251.db2.gz AQZGSJIQLICYIB-CMOCDZPBSA-N 2 1 341.543 3.266 20 0 EGADMP C[C@H](N[C@H](C[NH3+])C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423268546 309393074 /nfs/dbraw/zinc/39/30/74/309393074.db2.gz UUBIGEZXTBPFDF-DZFGPLHGSA-N 2 1 329.532 3.394 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])nnn1-c1cccc(Cl)c1 ZINC000423267362 309393089 /nfs/dbraw/zinc/39/30/89/309393089.db2.gz FKOAQQIKNBDFPK-RVSPLBMKSA-N 2 1 347.894 3.397 20 0 EGADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423322631 309395230 /nfs/dbraw/zinc/39/52/30/309395230.db2.gz NZTHMYZOEKFSPP-XCRHUMRWSA-N 2 1 336.451 3.162 20 0 EGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCc3ccccc3C2)cc1 ZINC000423327266 309395267 /nfs/dbraw/zinc/39/52/67/309395267.db2.gz JYOTUIRXDSTBFP-BAGYTPMASA-N 2 1 336.479 3.288 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)CCC2 ZINC000423332178 309395534 /nfs/dbraw/zinc/39/55/34/309395534.db2.gz HBMVIUXQSBBOBM-IFXJQAMLSA-N 2 1 334.460 3.121 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423336395 309395701 /nfs/dbraw/zinc/39/57/01/309395701.db2.gz SNKGMOMAELLCPZ-INIZCTEOSA-N 2 1 331.504 3.290 20 0 EGADMP [NH3+]C1(CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000423340552 309396102 /nfs/dbraw/zinc/39/61/02/309396102.db2.gz XJTBBXAPYHNMQN-VAMGGRTRSA-N 2 1 327.516 3.148 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000423357570 309396890 /nfs/dbraw/zinc/39/68/90/309396890.db2.gz MHXUCLXAXYYGJD-MISYRCLQSA-N 2 1 349.563 3.397 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)nnn1-c1cccc(Cl)c1 ZINC000423370185 309397530 /nfs/dbraw/zinc/39/75/30/309397530.db2.gz FGWGVWUHMZTRKL-TUKIKUTGSA-N 2 1 333.867 3.150 20 0 EGADMP CC(C)(CCC[NH3+])NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000423674154 309409442 /nfs/dbraw/zinc/40/94/42/309409442.db2.gz HJWNLUTZJPHROA-INIZCTEOSA-N 2 1 346.519 3.127 20 0 EGADMP Fc1ccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c(Cl)c1 ZINC000424302409 309437364 /nfs/dbraw/zinc/43/73/64/309437364.db2.gz ZKAVFQMWSKYSNE-UHFFFAOYSA-N 2 1 334.826 3.116 20 0 EGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CCN(c4ccc(C)c[nH+]4)CC3)C[C@H]2C1 ZINC000424328463 309439023 /nfs/dbraw/zinc/43/90/23/309439023.db2.gz ZTJCZERNNYITAO-AMBYYYRHSA-N 2 1 329.488 3.152 20 0 EGADMP CCc1nc(C)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000428961168 309565960 /nfs/dbraw/zinc/56/59/60/309565960.db2.gz GNDWQTVXDMNQOR-UHFFFAOYSA-N 2 1 328.460 3.458 20 0 EGADMP Cc1c([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cnn1C ZINC000449072037 310034852 /nfs/dbraw/zinc/03/48/52/310034852.db2.gz DKZQRJVNPBSVLS-DLBZAZTESA-N 2 1 340.515 3.475 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc4ccoc43)cc2)CC1 ZINC000449081866 310035395 /nfs/dbraw/zinc/03/53/95/310035395.db2.gz IPHAHQCQJZTUJD-UHFFFAOYSA-N 2 1 349.478 3.470 20 0 EGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCC1 ZINC000449139278 310039734 /nfs/dbraw/zinc/03/97/34/310039734.db2.gz AIQLYRMTTIQOOR-WOJBJXKFSA-N 2 1 343.515 3.052 20 0 EGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000449235101 310046756 /nfs/dbraw/zinc/04/67/56/310046756.db2.gz SURYASBAEUJSQN-UEXGIBASSA-N 2 1 329.532 3.154 20 0 EGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCN(C)[C@@H]2C)CC1 ZINC000449235101 310046757 /nfs/dbraw/zinc/04/67/57/310046757.db2.gz SURYASBAEUJSQN-UEXGIBASSA-N 2 1 329.532 3.154 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449332093 310054273 /nfs/dbraw/zinc/05/42/73/310054273.db2.gz QALQSUQITUONJE-QZTJIDSGSA-N 2 1 330.472 3.154 20 0 EGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449332093 310054274 /nfs/dbraw/zinc/05/42/74/310054274.db2.gz QALQSUQITUONJE-QZTJIDSGSA-N 2 1 330.472 3.154 20 0 EGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449332093 310054275 /nfs/dbraw/zinc/05/42/75/310054275.db2.gz QALQSUQITUONJE-QZTJIDSGSA-N 2 1 330.472 3.154 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000449436193 310061906 /nfs/dbraw/zinc/06/19/06/310061906.db2.gz GPHKDKCTNIQZML-MRXNPFEDSA-N 2 1 330.394 3.203 20 0 EGADMP OCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000449435228 310062018 /nfs/dbraw/zinc/06/20/18/310062018.db2.gz ADQOFRUHVYGHMC-BBWFWOEESA-N 2 1 342.405 3.345 20 0 EGADMP OCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000449435228 310062019 /nfs/dbraw/zinc/06/20/19/310062019.db2.gz ADQOFRUHVYGHMC-BBWFWOEESA-N 2 1 342.405 3.345 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](OC)C(C)(C)C2)CC1 ZINC000449506932 310067865 /nfs/dbraw/zinc/06/78/65/310067865.db2.gz ZPJXQLLQOCFCCU-FQEVSTJZSA-N 2 1 345.531 3.075 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccsc1 ZINC000449799804 310087997 /nfs/dbraw/zinc/08/79/97/310087997.db2.gz AWRIUEVMQASCET-QZTJIDSGSA-N 2 1 349.544 3.264 20 0 EGADMP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000449926651 310094496 /nfs/dbraw/zinc/09/44/96/310094496.db2.gz MTNNNZZAJGDEBW-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453080674 310256715 /nfs/dbraw/zinc/25/67/15/310256715.db2.gz FQPTWYNHGKVMCB-ZWKOTPCHSA-N 2 1 333.863 3.225 20 0 EGADMP O[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453173279 310262405 /nfs/dbraw/zinc/26/24/05/310262405.db2.gz OEAAPYFYJGSRCL-ALGQRKQJSA-N 2 1 328.500 3.323 20 0 EGADMP Cc1nnsc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453228264 310265302 /nfs/dbraw/zinc/26/53/02/310265302.db2.gz DOTDSTJECHCUOW-KZNAEPCWSA-N 2 1 342.512 3.379 20 0 EGADMP Cc1nnsc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453228264 310265303 /nfs/dbraw/zinc/26/53/03/310265303.db2.gz DOTDSTJECHCUOW-KZNAEPCWSA-N 2 1 342.512 3.379 20 0 EGADMP OC1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453228913 310265523 /nfs/dbraw/zinc/26/55/23/310265523.db2.gz ZRLITXXZDHOGAQ-BFIYSBSQSA-N 2 1 328.500 3.180 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ncc(Br)s1 ZINC000453403826 310275122 /nfs/dbraw/zinc/27/51/22/310275122.db2.gz OZFIOFVUQWECKV-SNVBAGLBSA-N 2 1 332.311 3.431 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(N2CCOCC2)c1 ZINC000453409436 310275540 /nfs/dbraw/zinc/27/55/40/310275540.db2.gz UFFVRRILTVPRIM-QGZVFWFLSA-N 2 1 331.504 3.048 20 0 EGADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455894380 310381556 /nfs/dbraw/zinc/38/15/56/310381556.db2.gz CVOMICSPZHUWGZ-NIKGAXFTSA-N 2 1 344.503 3.086 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000482138373 310926837 /nfs/dbraw/zinc/92/68/37/310926837.db2.gz OHWOGQNOCMQPNA-RDGPPVDQSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000487190833 311014869 /nfs/dbraw/zinc/01/48/69/311014869.db2.gz BOMNBHRDQVCIOB-FFZOFVMBSA-N 2 1 343.515 3.201 20 0 EGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)CC[N@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000487430372 311023286 /nfs/dbraw/zinc/02/32/86/311023286.db2.gz LOOCLOFVYIBWKQ-UEXGIBASSA-N 2 1 345.531 3.367 20 0 EGADMP CC(C)(C)OC1CC([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000491020223 311160947 /nfs/dbraw/zinc/16/09/47/311160947.db2.gz MDUMSVJGRYOZKF-XEVCZEQESA-N 2 1 330.516 3.487 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000492216780 311227492 /nfs/dbraw/zinc/22/74/92/311227492.db2.gz YFFKNOXWLFITRF-YYIAUSFCSA-N 2 1 339.524 3.094 20 0 EGADMP C[NH+](C)CC(C)(C)CNc1cc[nH+]c2ccc(Br)cc12 ZINC000503537139 311989839 /nfs/dbraw/zinc/98/98/39/311989839.db2.gz NLJARZLXCMLVOY-UHFFFAOYSA-N 2 1 336.277 3.419 20 0 EGADMP CC(C)C[C@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000508718452 312100639 /nfs/dbraw/zinc/10/06/39/312100639.db2.gz NTSUXHICHXKHHJ-CEWLAPEOSA-N 2 1 331.548 3.463 20 0 EGADMP CC(C)C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000508718452 312100641 /nfs/dbraw/zinc/10/06/41/312100641.db2.gz NTSUXHICHXKHHJ-CEWLAPEOSA-N 3 1 331.548 3.463 20 0 EGADMP CC(C)C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000508718452 312100644 /nfs/dbraw/zinc/10/06/44/312100644.db2.gz NTSUXHICHXKHHJ-CEWLAPEOSA-N 3 1 331.548 3.463 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508722195 312100800 /nfs/dbraw/zinc/10/08/00/312100800.db2.gz RLASPVPVOSFYOW-CEWLAPEOSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCCC[C@@H]1CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722195 312100802 /nfs/dbraw/zinc/10/08/02/312100802.db2.gz RLASPVPVOSFYOW-CEWLAPEOSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCCC[C@@H]1CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722195 312100804 /nfs/dbraw/zinc/10/08/04/312100804.db2.gz RLASPVPVOSFYOW-CEWLAPEOSA-N 2 1 329.532 3.361 20 0 EGADMP CCN1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722195 312100806 /nfs/dbraw/zinc/10/08/06/312100806.db2.gz RLASPVPVOSFYOW-CEWLAPEOSA-N 3 1 329.532 3.361 20 0 EGADMP CCN1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722195 312100808 /nfs/dbraw/zinc/10/08/08/312100808.db2.gz RLASPVPVOSFYOW-CEWLAPEOSA-N 3 1 329.532 3.361 20 0 EGADMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000508878936 312104469 /nfs/dbraw/zinc/10/44/69/312104469.db2.gz OHMGQNWXAFCQJT-APWZRJJASA-N 2 1 335.923 3.106 20 0 EGADMP Cc1cc(Cl)cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000508878936 312104473 /nfs/dbraw/zinc/10/44/73/312104473.db2.gz OHMGQNWXAFCQJT-APWZRJJASA-N 2 1 335.923 3.106 20 0 EGADMP C[C@@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC000510404917 312139857 /nfs/dbraw/zinc/13/98/57/312139857.db2.gz ADNBBEHBJHPIJJ-KSZLIROESA-N 2 1 337.552 3.124 20 0 EGADMP CCn1nccc1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513513238 312212248 /nfs/dbraw/zinc/21/22/48/312212248.db2.gz SBVYNFZZVMHZLY-HKUYNNGSSA-N 2 1 326.488 3.293 20 0 EGADMP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000515048709 312262618 /nfs/dbraw/zinc/26/26/18/312262618.db2.gz QVZRJHVJQOMIAH-CRAIPNDOSA-N 2 1 340.471 3.185 20 0 EGADMP CCCOc1ccc(OCC[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000515066156 312264017 /nfs/dbraw/zinc/26/40/17/312264017.db2.gz HRHMMFSZFDWDNX-FQEVSTJZSA-N 2 1 332.488 3.272 20 0 EGADMP CCCOc1ccc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000515066156 312264018 /nfs/dbraw/zinc/26/40/18/312264018.db2.gz HRHMMFSZFDWDNX-FQEVSTJZSA-N 2 1 332.488 3.272 20 0 EGADMP CCCOc1ccc(OCC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000515066156 312264019 /nfs/dbraw/zinc/26/40/19/312264019.db2.gz HRHMMFSZFDWDNX-FQEVSTJZSA-N 2 1 332.488 3.272 20 0 EGADMP CCCOc1ccc(OCC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000515066156 312264020 /nfs/dbraw/zinc/26/40/20/312264020.db2.gz HRHMMFSZFDWDNX-FQEVSTJZSA-N 2 1 332.488 3.272 20 0 EGADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000516173588 312312517 /nfs/dbraw/zinc/31/25/17/312312517.db2.gz IAOBOMWTIAIAGY-OAHLLOKOSA-N 2 1 338.517 3.053 20 0 EGADMP Cc1ccccc1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000520190530 312495047 /nfs/dbraw/zinc/49/50/47/312495047.db2.gz XNRTUIBITPTYDG-SFHVURJKSA-N 2 1 329.513 3.135 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000528354885 313071639 /nfs/dbraw/zinc/07/16/39/313071639.db2.gz HZGQNCJJZFBSNQ-HXUWFJFHSA-N 2 1 334.479 3.334 20 0 EGADMP COc1cccc([C@@H]2C[N@@H+](CCCc3cncn3C)CC2(C)C)c1 ZINC000528616982 313130209 /nfs/dbraw/zinc/13/02/09/313130209.db2.gz DGHSYAMHRDFJFF-IBGZPJMESA-N 2 1 327.472 3.487 20 0 EGADMP COc1cccc([C@@H]2C[N@H+](CCCc3c[nH+]cn3C)CC2(C)C)c1 ZINC000528616982 313130212 /nfs/dbraw/zinc/13/02/12/313130212.db2.gz DGHSYAMHRDFJFF-IBGZPJMESA-N 2 1 327.472 3.487 20 0 EGADMP COc1cccc([C@@H]2C[N@@H+](CCCc3c[nH+]cn3C)CC2(C)C)c1 ZINC000528616982 313130216 /nfs/dbraw/zinc/13/02/16/313130216.db2.gz DGHSYAMHRDFJFF-IBGZPJMESA-N 2 1 327.472 3.487 20 0 EGADMP COc1cc(C[N@H+](C)CC[C@@H]2CCC[NH+]2C)ccc1OC(F)F ZINC000535052827 314020205 /nfs/dbraw/zinc/02/02/05/314020205.db2.gz KDBJYMLXGRDMOL-AWEZNQCLSA-N 2 1 328.403 3.213 20 0 EGADMP COc1cc(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)ccc1OC(F)F ZINC000535052827 314020208 /nfs/dbraw/zinc/02/02/08/314020208.db2.gz KDBJYMLXGRDMOL-AWEZNQCLSA-N 2 1 328.403 3.213 20 0 EGADMP COc1cc(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)ccc1OC(F)F ZINC000535052827 314020211 /nfs/dbraw/zinc/02/02/11/314020211.db2.gz KDBJYMLXGRDMOL-AWEZNQCLSA-N 2 1 328.403 3.213 20 0 EGADMP COc1cc(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)ccc1OC(F)F ZINC000535052827 314020215 /nfs/dbraw/zinc/02/02/15/314020215.db2.gz KDBJYMLXGRDMOL-AWEZNQCLSA-N 2 1 328.403 3.213 20 0 EGADMP CCc1ccc([C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C(C)C)cc1 ZINC000536998293 314155817 /nfs/dbraw/zinc/15/58/17/314155817.db2.gz NEFXSCYIEFOLCT-VQTJNVASSA-N 2 1 345.531 3.123 20 0 EGADMP C[N@H+]1Cc2ccccc2[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000537952788 314219561 /nfs/dbraw/zinc/21/95/61/314219561.db2.gz SVEDPSILGRCJQI-QHCPKHFHSA-N 2 1 349.522 3.470 20 0 EGADMP C[N@@H+]1Cc2ccccc2[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000537952788 314219562 /nfs/dbraw/zinc/21/95/62/314219562.db2.gz SVEDPSILGRCJQI-QHCPKHFHSA-N 2 1 349.522 3.470 20 0 EGADMP CO[C@@H]1[C@H](C)[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1(C)C ZINC000538406867 314245448 /nfs/dbraw/zinc/24/54/48/314245448.db2.gz XAPNWMAYJKXANP-UIAACRFSSA-N 2 1 348.506 3.482 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(N[C@@H]3C[C@H](C)[NH+](C)C[C@H]3C)c2)C[C@H](C)O1 ZINC000538589298 314256326 /nfs/dbraw/zinc/25/63/26/314256326.db2.gz IUUUKNPZRBSEPL-OHHNFCFSSA-N 2 1 345.531 3.436 20 0 EGADMP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)c2)C[C@H](C)O1 ZINC000538589298 314256329 /nfs/dbraw/zinc/25/63/29/314256329.db2.gz IUUUKNPZRBSEPL-OHHNFCFSSA-N 2 1 345.531 3.436 20 0 EGADMP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)c2)C[C@H](C)O1 ZINC000538589298 314256332 /nfs/dbraw/zinc/25/63/32/314256332.db2.gz IUUUKNPZRBSEPL-OHHNFCFSSA-N 2 1 345.531 3.436 20 0 EGADMP O[C@]1(C[NH2+][C@H](c2ccccc2)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000539216477 314300752 /nfs/dbraw/zinc/30/07/52/314300752.db2.gz RLNXAPJULRHEJS-YADHBBJMSA-N 2 1 336.479 3.364 20 0 EGADMP O[C@]1(C[NH2+][C@H](c2ccccc2)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000539216477 314300755 /nfs/dbraw/zinc/30/07/55/314300755.db2.gz RLNXAPJULRHEJS-YADHBBJMSA-N 2 1 336.479 3.364 20 0 EGADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552049507 315193004 /nfs/dbraw/zinc/19/30/04/315193004.db2.gz XPFMWORSWQUZFN-LNRXMEIDSA-N 2 1 341.543 3.361 20 0 EGADMP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000552049507 315193005 /nfs/dbraw/zinc/19/30/05/315193005.db2.gz XPFMWORSWQUZFN-LNRXMEIDSA-N 2 1 341.543 3.361 20 0 EGADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000552049507 315193011 /nfs/dbraw/zinc/19/30/11/315193011.db2.gz XPFMWORSWQUZFN-LNRXMEIDSA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552049507 315193014 /nfs/dbraw/zinc/19/30/14/315193014.db2.gz XPFMWORSWQUZFN-LNRXMEIDSA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552049507 315193017 /nfs/dbraw/zinc/19/30/17/315193017.db2.gz XPFMWORSWQUZFN-LNRXMEIDSA-N 2 1 341.543 3.361 20 0 EGADMP CCC[N@@H+](C)[C@@H](CNC(=O)C[NH+](CC)CC)c1ccc(Cl)cc1 ZINC000552672538 315227849 /nfs/dbraw/zinc/22/78/49/315227849.db2.gz RKSZPZWPTDHPTL-KRWDZBQOSA-N 2 1 339.911 3.181 20 0 EGADMP CCC[N@@H+](C)[C@H](CNC(=O)C[NH+](C)C(C)C)c1ccc(Cl)cc1 ZINC000553016666 315241550 /nfs/dbraw/zinc/24/15/50/315241550.db2.gz CXWSOYDWMGQZFE-QGZVFWFLSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)[C@H](CNC(=O)C[N@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000553016666 315241552 /nfs/dbraw/zinc/24/15/52/315241552.db2.gz CXWSOYDWMGQZFE-QGZVFWFLSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)[C@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000553016666 315241554 /nfs/dbraw/zinc/24/15/54/315241554.db2.gz CXWSOYDWMGQZFE-QGZVFWFLSA-N 2 1 339.911 3.179 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000554112298 315298574 /nfs/dbraw/zinc/29/85/74/315298574.db2.gz PCCSMCKYMGXREG-CVEARBPZSA-N 2 1 332.492 3.209 20 0 EGADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000554377603 315313639 /nfs/dbraw/zinc/31/36/39/315313639.db2.gz QYAQMWAFNRPZMX-UWHLTILDSA-N 2 1 330.516 3.141 20 0 EGADMP CC(C)Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000554401711 315316396 /nfs/dbraw/zinc/31/63/96/315316396.db2.gz GXTHXYDTOWDQDD-WMQCIHAUSA-N 2 1 331.548 3.418 20 0 EGADMP CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000554401711 315316399 /nfs/dbraw/zinc/31/63/99/315316399.db2.gz GXTHXYDTOWDQDD-WMQCIHAUSA-N 2 1 331.548 3.418 20 0 EGADMP CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000554401711 315316401 /nfs/dbraw/zinc/31/64/01/315316401.db2.gz GXTHXYDTOWDQDD-WMQCIHAUSA-N 2 1 331.548 3.418 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000555548574 315389255 /nfs/dbraw/zinc/38/92/55/315389255.db2.gz AKXCBDDOGYOGSB-DZGCQCFKSA-N 2 1 337.305 3.238 20 0 EGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)CC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000555559130 315390821 /nfs/dbraw/zinc/39/08/21/315390821.db2.gz IBIMULJZFLPTLB-ROUUACIJSA-N 2 1 345.531 3.497 20 0 EGADMP C[C@@H]1[C@H](NC(=O)Nc2ccn3ccnc3c2)CC[N@H+]1Cc1ccccc1 ZINC000563786149 316068071 /nfs/dbraw/zinc/06/80/71/316068071.db2.gz GKVXQRQDUVAESG-CRAIPNDOSA-N 2 1 349.438 3.119 20 0 EGADMP CC[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1cccc(Cl)c1 ZINC000563805122 316071327 /nfs/dbraw/zinc/07/13/27/316071327.db2.gz XPMVZBRPXZBJPO-HNNXBMFYSA-N 2 1 333.867 3.166 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)N2CCCCC2)cc1 ZINC000563898699 316088095 /nfs/dbraw/zinc/08/80/95/316088095.db2.gz OXBZBJLMFJWHQB-GGPKGHCWSA-N 2 1 331.504 3.082 20 0 EGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cncc(Br)c2)CC1 ZINC000565243569 316298081 /nfs/dbraw/zinc/29/80/81/316298081.db2.gz NOCBFLKQMVOARZ-LBPRGKRZSA-N 2 1 326.282 3.368 20 0 EGADMP CN(CCC[N@@H+](C)Cc1ccc(F)cc1C(F)(F)F)CC[NH+](C)C ZINC000565744833 316363584 /nfs/dbraw/zinc/36/35/84/316363584.db2.gz UKRYTULAEKEACG-UHFFFAOYSA-N 2 1 349.416 3.160 20 0 EGADMP C(CC[N@H+]1CCSC[C@@H]1C1CC1)C[NH+]1CCSC[C@@H]1C1CC1 ZINC000571137005 317154896 /nfs/dbraw/zinc/15/48/96/317154896.db2.gz KXJSAKRNVMMNDH-QZTJIDSGSA-N 2 1 340.602 3.421 20 0 EGADMP C[C@H](C[NH2+]Cc1cc2cc(Br)ccc2o1)C[NH+](C)C ZINC000572424463 317336838 /nfs/dbraw/zinc/33/68/38/317336838.db2.gz HLZLGPDUSOCAMZ-LLVKDONJSA-N 2 1 325.250 3.483 20 0 EGADMP C[C@H](CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000379643149 324239814 /nfs/dbraw/zinc/23/98/14/324239814.db2.gz FLYOXXUSSQTRBV-CWJKEVGVSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000379643149 324239818 /nfs/dbraw/zinc/23/98/18/324239818.db2.gz FLYOXXUSSQTRBV-CWJKEVGVSA-N 3 1 329.532 3.407 20 0 EGADMP C[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000379643149 324239821 /nfs/dbraw/zinc/23/98/21/324239821.db2.gz FLYOXXUSSQTRBV-CWJKEVGVSA-N 3 1 329.532 3.407 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4COc5ccccc5C4)[C@H]3C2)cc1 ZINC000380816691 324244691 /nfs/dbraw/zinc/24/46/91/324244691.db2.gz DPUFIQWIVIPHCU-CMOCDZPBSA-N 2 1 348.490 3.490 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC000518833432 324390471 /nfs/dbraw/zinc/39/04/71/324390471.db2.gz SREOOWQEDIJNLU-VQTJNVASSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000578656094 325000455 /nfs/dbraw/zinc/00/04/55/325000455.db2.gz HRFBVHJAZLVVCI-MRXNPFEDSA-N 2 1 328.500 3.063 20 0 EGADMP CO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C12CCC2 ZINC000579556862 325125777 /nfs/dbraw/zinc/12/57/77/325125777.db2.gz YMSMVNGVAUELQV-MSOLQXFVSA-N 2 1 347.503 3.051 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000579715142 325149868 /nfs/dbraw/zinc/14/98/68/325149868.db2.gz QOJPSTRBBJRNGY-FXAWDEMLSA-N 2 1 343.515 3.209 20 0 EGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000579930135 325178386 /nfs/dbraw/zinc/17/83/86/325178386.db2.gz WGQYXDPIQZKXRE-FQEVSTJZSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000580414195 325246964 /nfs/dbraw/zinc/24/69/64/325246964.db2.gz HHMNDOPJMVGCST-MAUKXSAKSA-N 2 1 335.455 3.288 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(CC)CCCCC3)CC2)CC1 ZINC000580570440 325269566 /nfs/dbraw/zinc/26/95/66/325269566.db2.gz YKJGAASRVXGEHL-UHFFFAOYSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)Cn1cccn1 ZINC000581404335 325358056 /nfs/dbraw/zinc/35/80/56/325358056.db2.gz WPJWDDWVBKHHHY-SFHVURJKSA-N 2 1 328.504 3.267 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000581879866 325395676 /nfs/dbraw/zinc/39/56/76/325395676.db2.gz CRLMEZSQIPFYEH-SZVBFZGTSA-N 2 1 336.907 3.411 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000581879866 325395679 /nfs/dbraw/zinc/39/56/79/325395679.db2.gz CRLMEZSQIPFYEH-SZVBFZGTSA-N 2 1 336.907 3.411 20 0 EGADMP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443062296 459081294 /nfs/dbraw/zinc/08/12/94/459081294.db2.gz UILJKGMJFZRIKA-NWDGAFQWSA-N 2 1 344.286 3.381 20 0 EGADMP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443062296 459081298 /nfs/dbraw/zinc/08/12/98/459081298.db2.gz UILJKGMJFZRIKA-NWDGAFQWSA-N 2 1 344.286 3.381 20 0 EGADMP Brc1cccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000157936605 455250371 /nfs/dbraw/zinc/25/03/71/455250371.db2.gz ZDNMXYXVBBIIKN-LSDHHAIUSA-N 2 1 339.277 3.044 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000157954943 455252848 /nfs/dbraw/zinc/25/28/48/455252848.db2.gz VFFITHJCVYABET-ROUUACIJSA-N 2 1 341.503 3.430 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000264693347 455264369 /nfs/dbraw/zinc/26/43/69/455264369.db2.gz FHZPOFIFUXTXBO-QZTJIDSGSA-N 2 1 345.531 3.134 20 0 EGADMP CN(CC[N@@H+](C)CCCSCc1ccccc1)C1CC[NH+](C)CC1 ZINC000180939067 455266099 /nfs/dbraw/zinc/26/60/99/455266099.db2.gz JGOKBODQNGRTLR-UHFFFAOYSA-N 2 1 349.588 3.268 20 0 EGADMP COC(=O)CCCC[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000600712685 460575270 /nfs/dbraw/zinc/57/52/70/460575270.db2.gz ZYZVTQIENAHJHZ-RTBURBONSA-N 2 1 332.488 3.002 20 0 EGADMP CC(C)c1ccc(C[N@H+]2CC[C@H](n3cc(C[NH3+])nn3)C2)c(C(C)C)c1 ZINC000631846538 460580018 /nfs/dbraw/zinc/58/00/18/460580018.db2.gz ZXIAICDUCRVDKD-IBGZPJMESA-N 2 1 341.503 3.431 20 0 EGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631844965 460580086 /nfs/dbraw/zinc/58/00/86/460580086.db2.gz QKQVPSKRMUPRSJ-GXFFZTMASA-N 2 1 340.258 3.052 20 0 EGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631844965 460580087 /nfs/dbraw/zinc/58/00/87/460580087.db2.gz QKQVPSKRMUPRSJ-GXFFZTMASA-N 2 1 340.258 3.052 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](C(C)C)CC2)cc1 ZINC000068778957 454052850 /nfs/dbraw/zinc/05/28/50/454052850.db2.gz DBHBMLCJWDUSBG-UHFFFAOYSA-N 2 1 331.504 3.085 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000044277547 454094045 /nfs/dbraw/zinc/09/40/45/454094045.db2.gz YMMXADTUDLOTHH-MRXNPFEDSA-N 2 1 332.492 3.134 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000246065126 455420448 /nfs/dbraw/zinc/42/04/48/455420448.db2.gz DNLOHQDKYZOMJP-GXTWGEPZSA-N 2 1 326.868 3.320 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000246065126 455420451 /nfs/dbraw/zinc/42/04/51/455420451.db2.gz DNLOHQDKYZOMJP-GXTWGEPZSA-N 2 1 326.868 3.320 20 0 EGADMP c1cnc2c(c1)cccc2OCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089627510 454170080 /nfs/dbraw/zinc/17/00/80/454170080.db2.gz DYAXTVJQCYIVNO-QZTJIDSGSA-N 2 1 325.456 3.220 20 0 EGADMP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000130528874 454202331 /nfs/dbraw/zinc/20/23/31/454202331.db2.gz ZNXVOPSAXCVVJA-XLIONFOSSA-N 2 1 345.531 3.263 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCNC(=O)OC(C)(C)C)cc1 ZINC000119812887 454223580 /nfs/dbraw/zinc/22/35/80/454223580.db2.gz WFRGIJZTTNETGZ-CQSZACIVSA-N 2 1 344.459 3.356 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000131280012 454244535 /nfs/dbraw/zinc/24/45/35/454244535.db2.gz AQKFJTUFFIBHMR-OVTCNUJSSA-N 2 1 331.287 3.345 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NCCC2=CCCCC2)CC1 ZINC000071954568 454261901 /nfs/dbraw/zinc/26/19/01/454261901.db2.gz IJMXEDGBQDLZDU-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP Cc1cccc([C@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000090520887 454314681 /nfs/dbraw/zinc/31/46/81/454314681.db2.gz KQHJGLGKEXNMRJ-JOCHJYFZSA-N 2 1 338.495 3.325 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2Oc2cccc(C)c2)CC1 ZINC000090580454 454323660 /nfs/dbraw/zinc/32/36/60/454323660.db2.gz VCHORCSXUZDIFS-LEWJYISDSA-N 2 1 346.515 3.385 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(Oc2ccncc2)c1 ZINC000120643918 454329456 /nfs/dbraw/zinc/32/94/56/454329456.db2.gz AMQIWXUSSYPHOP-KXBFYZLASA-N 2 1 339.439 3.286 20 0 EGADMP CN1CC[C@H](C[NH2+]C2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000090936786 454351518 /nfs/dbraw/zinc/35/15/18/454351518.db2.gz WPNMIGDDUBVSRW-RDTXWAMCSA-N 2 1 339.886 3.156 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1)C(C)C ZINC000121156802 454400353 /nfs/dbraw/zinc/40/03/53/454400353.db2.gz FLXIDMCLPWUUJO-FXAWDEMLSA-N 2 1 345.531 3.329 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000121185228 454403535 /nfs/dbraw/zinc/40/35/35/454403535.db2.gz BCMOFEIBCFUWJV-FPOVZHCZSA-N 2 1 346.515 3.408 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000121185228 454403543 /nfs/dbraw/zinc/40/35/43/454403543.db2.gz BCMOFEIBCFUWJV-FPOVZHCZSA-N 2 1 346.515 3.408 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000121185228 454403549 /nfs/dbraw/zinc/40/35/49/454403549.db2.gz BCMOFEIBCFUWJV-FPOVZHCZSA-N 2 1 346.515 3.408 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000121185228 454403552 /nfs/dbraw/zinc/40/35/52/454403552.db2.gz BCMOFEIBCFUWJV-FPOVZHCZSA-N 2 1 346.515 3.408 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121606461 454456463 /nfs/dbraw/zinc/45/64/63/454456463.db2.gz NEGITTJARCGJPG-UHFFFAOYSA-N 2 1 337.895 3.251 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000121668744 454463186 /nfs/dbraw/zinc/46/31/86/454463186.db2.gz ZWVKHCAQHBOWME-MHTWAQMVSA-N 2 1 340.511 3.098 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000091824404 454477016 /nfs/dbraw/zinc/47/70/16/454477016.db2.gz XMZGMEQLVNDOBH-LJQANCHMSA-N 2 1 329.488 3.138 20 0 EGADMP CCOc1cc(CCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1OC ZINC000133905446 454481491 /nfs/dbraw/zinc/48/14/91/454481491.db2.gz JEQCJUONHGWZOG-XYJFISCASA-N 2 1 334.504 3.345 20 0 EGADMP CC(C)CC[C@H]1CCCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000092015820 454504426 /nfs/dbraw/zinc/50/44/26/454504426.db2.gz KORSSTHFBVIUGU-LJQANCHMSA-N 2 1 345.535 3.019 20 0 EGADMP CC(C)CC[C@H]1CCCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000092015820 454504429 /nfs/dbraw/zinc/50/44/29/454504429.db2.gz KORSSTHFBVIUGU-LJQANCHMSA-N 2 1 345.535 3.019 20 0 EGADMP COc1cc(C)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000092066753 454512368 /nfs/dbraw/zinc/51/23/68/454512368.db2.gz UQYLTIOMJZFZDP-APWZRJJASA-N 2 1 344.499 3.461 20 0 EGADMP COc1cc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000092066753 454512372 /nfs/dbraw/zinc/51/23/72/454512372.db2.gz UQYLTIOMJZFZDP-APWZRJJASA-N 2 1 344.499 3.461 20 0 EGADMP COc1cc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000092066753 454512376 /nfs/dbraw/zinc/51/23/76/454512376.db2.gz UQYLTIOMJZFZDP-APWZRJJASA-N 2 1 344.499 3.461 20 0 EGADMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc(Cl)c1OC ZINC000092253592 454542262 /nfs/dbraw/zinc/54/22/62/454542262.db2.gz SIPWPJXSVKFVAE-ZDUSSCGKSA-N 2 1 326.868 3.131 20 0 EGADMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc(Cl)c1OC ZINC000092253592 454542264 /nfs/dbraw/zinc/54/22/64/454542264.db2.gz SIPWPJXSVKFVAE-ZDUSSCGKSA-N 2 1 326.868 3.131 20 0 EGADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc(Cl)c1OC ZINC000092253592 454542266 /nfs/dbraw/zinc/54/22/66/454542266.db2.gz SIPWPJXSVKFVAE-ZDUSSCGKSA-N 2 1 326.868 3.131 20 0 EGADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc(Cl)c1OC ZINC000092253592 454542268 /nfs/dbraw/zinc/54/22/68/454542268.db2.gz SIPWPJXSVKFVAE-ZDUSSCGKSA-N 2 1 326.868 3.131 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000122555162 454546455 /nfs/dbraw/zinc/54/64/55/454546455.db2.gz SSQNDILDSWITIX-UHFFFAOYSA-N 2 1 326.488 3.453 20 0 EGADMP C[C@@H]1C[C@H](Nc2cc[nH+]c(N(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000080230900 454553105 /nfs/dbraw/zinc/55/31/05/454553105.db2.gz BVNCOHYABLVIOU-NVXWUHKLSA-N 2 1 325.460 3.008 20 0 EGADMP C[C@@H]1C[C@H](Nc2cc[nH+]c(N(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000080230900 454553111 /nfs/dbraw/zinc/55/31/11/454553111.db2.gz BVNCOHYABLVIOU-NVXWUHKLSA-N 2 1 325.460 3.008 20 0 EGADMP COc1ccsc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587129 454591243 /nfs/dbraw/zinc/59/12/43/454591243.db2.gz UJHPYCXOYYRWSL-GASCZTMLSA-N 2 1 338.517 3.078 20 0 EGADMP Cc1ccc(C)c(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134932150 454611063 /nfs/dbraw/zinc/61/10/63/454611063.db2.gz NZFSWATWEJBAIS-YLJYHZDGSA-N 2 1 341.499 3.191 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(C)cc(Cl)cc3C)C2)CC1 ZINC000093132713 454685852 /nfs/dbraw/zinc/68/58/52/454685852.db2.gz FVHHGYXIGCRUGR-SFHVURJKSA-N 2 1 335.923 3.169 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000161591037 454705936 /nfs/dbraw/zinc/70/59/36/454705936.db2.gz PCZRTEFDUFUASO-WLRLJWMZSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000161591037 454705940 /nfs/dbraw/zinc/70/59/40/454705940.db2.gz PCZRTEFDUFUASO-WLRLJWMZSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161591037 454705943 /nfs/dbraw/zinc/70/59/43/454705943.db2.gz PCZRTEFDUFUASO-WLRLJWMZSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000161591037 454705946 /nfs/dbraw/zinc/70/59/46/454705946.db2.gz PCZRTEFDUFUASO-WLRLJWMZSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161591037 454705949 /nfs/dbraw/zinc/70/59/49/454705949.db2.gz PCZRTEFDUFUASO-WLRLJWMZSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cccc4c3CC[NH2+]C4)CC2)C1 ZINC000635008827 460651365 /nfs/dbraw/zinc/65/13/65/460651365.db2.gz HLSHTKHCEFZQSH-UWJYYQICSA-N 3 1 341.543 3.465 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000152977523 454749079 /nfs/dbraw/zinc/74/90/79/454749079.db2.gz VKOYWZVIPGRYMP-QCFAMHMHSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152977523 454749081 /nfs/dbraw/zinc/74/90/81/454749081.db2.gz VKOYWZVIPGRYMP-QCFAMHMHSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152977523 454749084 /nfs/dbraw/zinc/74/90/84/454749084.db2.gz VKOYWZVIPGRYMP-QCFAMHMHSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000152977523 454749085 /nfs/dbraw/zinc/74/90/85/454749085.db2.gz VKOYWZVIPGRYMP-QCFAMHMHSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000152977523 454749089 /nfs/dbraw/zinc/74/90/89/454749089.db2.gz VKOYWZVIPGRYMP-QCFAMHMHSA-N 3 1 329.532 3.359 20 0 EGADMP CC[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccccc3C)CC2)[C@H](C)C1 ZINC000162138108 454753423 /nfs/dbraw/zinc/75/34/23/454753423.db2.gz WOLGFSLPPZEUFC-NQIIRXRSSA-N 3 1 329.532 3.279 20 0 EGADMP CCC[N@H+](CCCn1cc[nH+]c1C)CC(=O)Nc1ccccc1C ZINC000124831150 454773917 /nfs/dbraw/zinc/77/39/17/454773917.db2.gz ODCBVSITYXHAMW-UHFFFAOYSA-N 2 1 328.460 3.241 20 0 EGADMP CCC[N@@H+](CCCn1cc[nH+]c1C)CC(=O)Nc1ccccc1C ZINC000124831150 454773922 /nfs/dbraw/zinc/77/39/22/454773922.db2.gz ODCBVSITYXHAMW-UHFFFAOYSA-N 2 1 328.460 3.241 20 0 EGADMP C[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000138088042 454788351 /nfs/dbraw/zinc/78/83/51/454788351.db2.gz WYIJTXVFLMDYFV-ROUUACIJSA-N 2 1 326.488 3.293 20 0 EGADMP CCCC[C@H](COC)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000153486900 454799063 /nfs/dbraw/zinc/79/90/63/454799063.db2.gz MBSBJFSKJDWHQB-YLJYHZDGSA-N 2 1 334.504 3.202 20 0 EGADMP CCCC[C@H](COC)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000153486900 454799067 /nfs/dbraw/zinc/79/90/67/454799067.db2.gz MBSBJFSKJDWHQB-YLJYHZDGSA-N 2 1 334.504 3.202 20 0 EGADMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000182248661 455472014 /nfs/dbraw/zinc/47/20/14/455472014.db2.gz KZYPREAMJCCPJH-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000125179205 454801730 /nfs/dbraw/zinc/80/17/30/454801730.db2.gz DSTBYTDLJGTIQZ-ACRUOGEOSA-N 2 1 340.511 3.241 20 0 EGADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000153599545 454811053 /nfs/dbraw/zinc/81/10/53/454811053.db2.gz RVPLUHPVOJCVOV-YLJYHZDGSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000163112984 454824295 /nfs/dbraw/zinc/82/42/95/454824295.db2.gz NMTBAFDHJWPTID-UHIISALHSA-N 2 1 331.291 3.119 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000635013591 460655703 /nfs/dbraw/zinc/65/57/03/460655703.db2.gz ZMNRCPIHEQKIGO-SXLOBPIMSA-N 3 1 329.532 3.265 20 0 EGADMP C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000635013591 460655707 /nfs/dbraw/zinc/65/57/07/460655707.db2.gz ZMNRCPIHEQKIGO-SXLOBPIMSA-N 2 1 329.532 3.265 20 0 EGADMP C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000635013591 460655711 /nfs/dbraw/zinc/65/57/11/460655711.db2.gz ZMNRCPIHEQKIGO-SXLOBPIMSA-N 2 1 329.532 3.265 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000163262344 454835032 /nfs/dbraw/zinc/83/50/32/454835032.db2.gz YPNBFZGMDIYSLS-NLWGTHIKSA-N 2 1 345.531 3.276 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000163262344 454835034 /nfs/dbraw/zinc/83/50/34/454835034.db2.gz YPNBFZGMDIYSLS-NLWGTHIKSA-N 2 1 345.531 3.276 20 0 EGADMP C[N@H+](Cc1ccnc(Cl)c1)C1CCN(CCc2ccccn2)CC1 ZINC000177256188 454842898 /nfs/dbraw/zinc/84/28/98/454842898.db2.gz PUKYCLBRJGRQEA-UHFFFAOYSA-N 2 1 344.890 3.269 20 0 EGADMP C[N@@H+](Cc1ccnc(Cl)c1)C1CCN(CCc2ccccn2)CC1 ZINC000177256188 454842903 /nfs/dbraw/zinc/84/29/03/454842903.db2.gz PUKYCLBRJGRQEA-UHFFFAOYSA-N 2 1 344.890 3.269 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000163587834 454857026 /nfs/dbraw/zinc/85/70/26/454857026.db2.gz YGHBFTUVMCZXCY-KXBFYZLASA-N 2 1 335.923 3.234 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000163587834 454857028 /nfs/dbraw/zinc/85/70/28/454857028.db2.gz YGHBFTUVMCZXCY-KXBFYZLASA-N 3 1 335.923 3.234 20 0 EGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374219 454857415 /nfs/dbraw/zinc/85/74/15/454857415.db2.gz ZISUBIZYNZDIIA-AWEZNQCLSA-N 2 1 341.902 3.498 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)c1ccccc1 ZINC000164079645 454874006 /nfs/dbraw/zinc/87/40/06/454874006.db2.gz MNSSELGJCOKCQR-AABGKKOBSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)C[C@H](O)C[NH2+][C@H](CCCc1ccccc1)c1ccccc1 ZINC000154251657 454878679 /nfs/dbraw/zinc/87/86/79/454878679.db2.gz AVXYCWMTLAPCEF-NHCUHLMSSA-N 2 1 326.484 3.263 20 0 EGADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000154354758 454888418 /nfs/dbraw/zinc/88/84/18/454888418.db2.gz JFCCXJGZHTUQGS-OALUTQOASA-N 2 1 332.875 3.136 20 0 EGADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(F)cc1F ZINC000154502081 454902212 /nfs/dbraw/zinc/90/22/12/454902212.db2.gz UFZNKDYODZKROT-IBGZPJMESA-N 2 1 339.474 3.423 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000154531231 454904990 /nfs/dbraw/zinc/90/49/90/454904990.db2.gz VZEIJYZVJDAMFX-QGZVFWFLSA-N 2 1 332.488 3.416 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000154531231 454904991 /nfs/dbraw/zinc/90/49/91/454904991.db2.gz VZEIJYZVJDAMFX-QGZVFWFLSA-N 2 1 332.488 3.416 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000154531231 454904995 /nfs/dbraw/zinc/90/49/95/454904995.db2.gz VZEIJYZVJDAMFX-QGZVFWFLSA-N 2 1 332.488 3.416 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000154531231 454904998 /nfs/dbraw/zinc/90/49/98/454904998.db2.gz VZEIJYZVJDAMFX-QGZVFWFLSA-N 2 1 332.488 3.416 20 0 EGADMP Cc1nccn1CCCC[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000128275697 455041134 /nfs/dbraw/zinc/04/11/34/455041134.db2.gz SYCGAGSZTGDLRP-UHFFFAOYSA-N 2 1 346.450 3.460 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000128275697 455041137 /nfs/dbraw/zinc/04/11/37/455041137.db2.gz SYCGAGSZTGDLRP-UHFFFAOYSA-N 2 1 346.450 3.460 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)C[C@@H]3C)cc2)C1 ZINC000155769365 455043217 /nfs/dbraw/zinc/04/32/17/455043217.db2.gz LNFMVWJHUIZZCI-LVCYWYKZSA-N 3 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)C1 ZINC000155769365 455043219 /nfs/dbraw/zinc/04/32/19/455043219.db2.gz LNFMVWJHUIZZCI-LVCYWYKZSA-N 3 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)C1 ZINC000155769365 455043221 /nfs/dbraw/zinc/04/32/21/455043221.db2.gz LNFMVWJHUIZZCI-LVCYWYKZSA-N 3 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)C[C@@H]3C)cc2)C1 ZINC000155769365 455043223 /nfs/dbraw/zinc/04/32/23/455043223.db2.gz LNFMVWJHUIZZCI-LVCYWYKZSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)C[C@@H]3C)cc2)C1 ZINC000155769365 455043225 /nfs/dbraw/zinc/04/32/25/455043225.db2.gz LNFMVWJHUIZZCI-LVCYWYKZSA-N 2 1 329.532 3.348 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000151983592 455057569 /nfs/dbraw/zinc/05/75/69/455057569.db2.gz UKPFOEWHDMGYFD-GOSISDBHSA-N 2 1 342.487 3.336 20 0 EGADMP CC(C)[NH+](CCN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000156255271 455098029 /nfs/dbraw/zinc/09/80/29/455098029.db2.gz CFBNTYZHCZJEJR-QUCCMNQESA-N 2 1 332.536 3.000 20 0 EGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)CN3CCC(C)CC3)c2C1 ZINC000156266166 455098761 /nfs/dbraw/zinc/09/87/61/455098761.db2.gz PQGZWNOISCWUFZ-UHFFFAOYSA-N 2 1 329.488 3.329 20 0 EGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)C[NH+]3CCC(C)CC3)c2C1 ZINC000156266166 455098764 /nfs/dbraw/zinc/09/87/64/455098764.db2.gz PQGZWNOISCWUFZ-UHFFFAOYSA-N 2 1 329.488 3.329 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129280170 455104421 /nfs/dbraw/zinc/10/44/21/455104421.db2.gz NESNMIKPUJGJIH-HOTGVXAUSA-N 2 1 335.458 3.115 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccncc2)CC1 ZINC000156465987 455121666 /nfs/dbraw/zinc/12/16/66/455121666.db2.gz NTSGUGQVXKPXCV-SFHVURJKSA-N 2 1 338.499 3.070 20 0 EGADMP Cc1c([C@@H](C)[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cnn1C ZINC000180158223 455141097 /nfs/dbraw/zinc/14/10/97/455141097.db2.gz VBLQCBHXVSXCTI-KYPFXXDHSA-N 2 1 338.499 3.290 20 0 EGADMP C[C@H](NCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000156672352 455143231 /nfs/dbraw/zinc/14/32/31/455143231.db2.gz CQHMGHSUSRHLID-MSOLQXFVSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@H](NCC[N@H+]1CCC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000156672352 455143234 /nfs/dbraw/zinc/14/32/34/455143234.db2.gz CQHMGHSUSRHLID-MSOLQXFVSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@H]1C[C@H]([N@@H+](C)CCCc2cnn(C)c2)CCN1Cc1ccccc1 ZINC000156970471 455159330 /nfs/dbraw/zinc/15/93/30/455159330.db2.gz NFJXHBXQAKRBPO-GHTZIAJQSA-N 2 1 340.515 3.338 20 0 EGADMP C[C@H]1C[C@H]([NH+](C)CCCc2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000156970471 455159331 /nfs/dbraw/zinc/15/93/31/455159331.db2.gz NFJXHBXQAKRBPO-GHTZIAJQSA-N 2 1 340.515 3.338 20 0 EGADMP C[C@H]1C[C@H]([NH+](C)CCCc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000156970471 455159333 /nfs/dbraw/zinc/15/93/33/455159333.db2.gz NFJXHBXQAKRBPO-GHTZIAJQSA-N 2 1 340.515 3.338 20 0 EGADMP C[C@H]1C[C@H]([N@H+](C)CCCc2cnn(C)c2)CC[NH+]1Cc1ccccc1 ZINC000156970471 455159335 /nfs/dbraw/zinc/15/93/35/455159335.db2.gz NFJXHBXQAKRBPO-GHTZIAJQSA-N 2 1 340.515 3.338 20 0 EGADMP C[C@H]1C[C@H]([N@@H+](C)CCCc2cnn(C)c2)CC[NH+]1Cc1ccccc1 ZINC000156970471 455159337 /nfs/dbraw/zinc/15/93/37/455159337.db2.gz NFJXHBXQAKRBPO-GHTZIAJQSA-N 2 1 340.515 3.338 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000237527925 455192382 /nfs/dbraw/zinc/19/23/82/455192382.db2.gz WCYCNERLXSCVRS-CYBMUJFWSA-N 2 1 327.407 3.147 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000173675383 455326375 /nfs/dbraw/zinc/32/63/75/455326375.db2.gz MIRMLWLOPVOUPP-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)[C@@H](C)C1 ZINC000245571814 455332635 /nfs/dbraw/zinc/33/26/35/455332635.db2.gz BXTQKENODYITMZ-IYOUNJFTSA-N 2 1 339.886 3.378 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245721950 455363869 /nfs/dbraw/zinc/36/38/69/455363869.db2.gz UVWVDUPHZSHFLS-YESZJQIVSA-N 2 1 339.524 3.096 20 0 EGADMP CN(C(=O)c1cccs1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245721844 455364370 /nfs/dbraw/zinc/36/43/70/455364370.db2.gz PWLARCFSOHQHEO-IAGOWNOFSA-N 2 1 349.544 3.157 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(OCC3CC3)cc2)C[C@H](C)O1 ZINC000190893331 455399350 /nfs/dbraw/zinc/39/93/50/455399350.db2.gz XGGNYVHELZHYDM-HDICACEKSA-N 2 1 346.515 3.454 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000246275363 455462909 /nfs/dbraw/zinc/46/29/09/455462909.db2.gz MDBROHLIDFPDPC-ZSYWTGECSA-N 2 1 337.552 3.158 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000246430229 455488214 /nfs/dbraw/zinc/48/82/14/455488214.db2.gz NVCXUXSGAQOASI-DZGCQCFKSA-N 2 1 330.394 3.448 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)cn1 ZINC000185202190 455520721 /nfs/dbraw/zinc/52/07/21/455520721.db2.gz ZEMDRBIHFUVDPU-SJORKVTESA-N 2 1 328.460 3.257 20 0 EGADMP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000246932131 455536587 /nfs/dbraw/zinc/53/65/87/455536587.db2.gz TUMWAYFLSHKPQR-MRXNPFEDSA-N 2 1 329.488 3.341 20 0 EGADMP CC[NH+](CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000246932131 455536590 /nfs/dbraw/zinc/53/65/90/455536590.db2.gz TUMWAYFLSHKPQR-MRXNPFEDSA-N 2 1 329.488 3.341 20 0 EGADMP CC[NH+](CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000246932131 455536592 /nfs/dbraw/zinc/53/65/92/455536592.db2.gz TUMWAYFLSHKPQR-MRXNPFEDSA-N 2 1 329.488 3.341 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000247023772 455545885 /nfs/dbraw/zinc/54/58/85/455545885.db2.gz KZHNHHVNHPWSGC-ZIFCJYIRSA-N 2 1 334.504 3.229 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000247023772 455545890 /nfs/dbraw/zinc/54/58/90/455545890.db2.gz KZHNHHVNHPWSGC-ZIFCJYIRSA-N 2 1 334.504 3.229 20 0 EGADMP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000247396504 455595379 /nfs/dbraw/zinc/59/53/79/455595379.db2.gz QWDJIDVLYPCDOF-APWZRJJASA-N 2 1 337.458 3.128 20 0 EGADMP C[C@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185696507 455599176 /nfs/dbraw/zinc/59/91/76/455599176.db2.gz CIRHCZSAHGBIEH-QWHCGFSZSA-N 2 1 344.425 3.182 20 0 EGADMP C[C@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185696507 455599180 /nfs/dbraw/zinc/59/91/80/455599180.db2.gz CIRHCZSAHGBIEH-QWHCGFSZSA-N 2 1 344.425 3.182 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000292238524 455604907 /nfs/dbraw/zinc/60/49/07/455604907.db2.gz RLUFXVJUXHBHAL-OAHLLOKOSA-N 2 1 328.460 3.024 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1F ZINC000185726394 455608103 /nfs/dbraw/zinc/60/81/03/455608103.db2.gz LPHDZLMMBZEBQB-GOEBONIOSA-N 2 1 348.462 3.355 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1F ZINC000185726394 455608108 /nfs/dbraw/zinc/60/81/08/455608108.db2.gz LPHDZLMMBZEBQB-GOEBONIOSA-N 2 1 348.462 3.355 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Br)cc2)CCCO1 ZINC000277623215 455616947 /nfs/dbraw/zinc/61/69/47/455616947.db2.gz BOXPDYJAQINSMX-AWEZNQCLSA-N 2 1 341.293 3.040 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1F ZINC000271430835 455634684 /nfs/dbraw/zinc/63/46/84/455634684.db2.gz BAAHRRMUGZPOAU-FHWLQOOXSA-N 2 1 338.442 3.383 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1cscn1 ZINC000284173835 455645677 /nfs/dbraw/zinc/64/56/77/455645677.db2.gz AAFGPDOIYARNMH-CQSZACIVSA-N 2 1 331.485 3.467 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000247890598 455652508 /nfs/dbraw/zinc/65/25/08/455652508.db2.gz FGLJMFGZZARGPQ-YYWHXJBOSA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(OC)c2)N2CCCC2)[C@@H](C)C1 ZINC000247890598 455652512 /nfs/dbraw/zinc/65/25/12/455652512.db2.gz FGLJMFGZZARGPQ-YYWHXJBOSA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(OC)c2)N2CCCC2)[C@@H](C)C1 ZINC000247890598 455652514 /nfs/dbraw/zinc/65/25/14/455652514.db2.gz FGLJMFGZZARGPQ-YYWHXJBOSA-N 2 1 345.531 3.152 20 0 EGADMP CC(C)C[N@@H+]1CCO[C@H](CN[C@H](C)c2ccccc2OC(F)F)C1 ZINC000248065387 455677424 /nfs/dbraw/zinc/67/74/24/455677424.db2.gz ZJIWALVPEYJFRN-HUUCEWRRSA-N 2 1 342.430 3.295 20 0 EGADMP CC(C)C[N@H+]1CCO[C@H](CN[C@H](C)c2ccccc2OC(F)F)C1 ZINC000248065387 455677427 /nfs/dbraw/zinc/67/74/27/455677427.db2.gz ZJIWALVPEYJFRN-HUUCEWRRSA-N 2 1 342.430 3.295 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OCC)C23CCC3)[C@H](C)C1 ZINC000248136837 455686699 /nfs/dbraw/zinc/68/66/99/455686699.db2.gz PDZYZJORDDQKSD-FCGDIQPGSA-N 2 1 338.536 3.061 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1OC(F)F ZINC000248201481 455698543 /nfs/dbraw/zinc/69/85/43/455698543.db2.gz YVUHMDZHJMOBLP-HUUCEWRRSA-N 2 1 340.414 3.213 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1OC(F)F ZINC000248201481 455698548 /nfs/dbraw/zinc/69/85/48/455698548.db2.gz YVUHMDZHJMOBLP-HUUCEWRRSA-N 2 1 340.414 3.213 20 0 EGADMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OC(F)F ZINC000248201481 455698554 /nfs/dbraw/zinc/69/85/54/455698554.db2.gz YVUHMDZHJMOBLP-HUUCEWRRSA-N 2 1 340.414 3.213 20 0 EGADMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1OC(F)F ZINC000248201481 455698560 /nfs/dbraw/zinc/69/85/60/455698560.db2.gz YVUHMDZHJMOBLP-HUUCEWRRSA-N 2 1 340.414 3.213 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]CCC[N@@H+]3CCCC[C@H]3C)c(C)n2n1 ZINC000248512435 455717944 /nfs/dbraw/zinc/71/79/44/455717944.db2.gz BCQBLWHFFKZXRV-HZPDHXFCSA-N 2 1 329.492 3.261 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]CCC[N@H+]3CCCC[C@H]3C)c(C)n2n1 ZINC000248512435 455717951 /nfs/dbraw/zinc/71/79/51/455717951.db2.gz BCQBLWHFFKZXRV-HZPDHXFCSA-N 2 1 329.492 3.261 20 0 EGADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268902078 455725000 /nfs/dbraw/zinc/72/50/00/455725000.db2.gz WZOUFANJUFSWGV-OAHLLOKOSA-N 2 1 328.460 3.151 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000268913139 455728167 /nfs/dbraw/zinc/72/81/67/455728167.db2.gz ZLZUDBQRQZBRGE-OAHLLOKOSA-N 2 1 326.444 3.059 20 0 EGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)C2)C1 ZINC000292737859 455744824 /nfs/dbraw/zinc/74/48/24/455744824.db2.gz GZZUFBSQGAHYQZ-GOSISDBHSA-N 2 1 330.863 3.258 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)C2)C1 ZINC000292737859 455744827 /nfs/dbraw/zinc/74/48/27/455744827.db2.gz GZZUFBSQGAHYQZ-GOSISDBHSA-N 2 1 330.863 3.258 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C2)C1 ZINC000292737859 455744830 /nfs/dbraw/zinc/74/48/30/455744830.db2.gz GZZUFBSQGAHYQZ-GOSISDBHSA-N 2 1 330.863 3.258 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C2)C1 ZINC000292737859 455744832 /nfs/dbraw/zinc/74/48/32/455744832.db2.gz GZZUFBSQGAHYQZ-GOSISDBHSA-N 2 1 330.863 3.258 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cnc2ccsc2c1 ZINC000268959945 455745378 /nfs/dbraw/zinc/74/53/78/455745378.db2.gz XCGGGLDTUBOVGH-HOCLYGCPSA-N 2 1 333.501 3.184 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CCC4OCCCO4)CC[C@H]32)cc1 ZINC000268975823 455750723 /nfs/dbraw/zinc/75/07/23/455750723.db2.gz JDBKGKSEYKCGSN-VQTJNVASSA-N 2 1 344.499 3.126 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CCC4OCCCO4)CC[C@H]32)cc1 ZINC000268975823 455750726 /nfs/dbraw/zinc/75/07/26/455750726.db2.gz JDBKGKSEYKCGSN-VQTJNVASSA-N 2 1 344.499 3.126 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CCC4OCCCO4)CC[C@H]32)cc1 ZINC000268975823 455750729 /nfs/dbraw/zinc/75/07/29/455750729.db2.gz JDBKGKSEYKCGSN-VQTJNVASSA-N 2 1 344.499 3.126 20 0 EGADMP CC[NH+](CC)CCC[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000193478610 455760812 /nfs/dbraw/zinc/76/08/12/455760812.db2.gz VZYINNXFVMGWOK-UHFFFAOYSA-N 2 1 332.492 3.004 20 0 EGADMP C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000269045476 455775157 /nfs/dbraw/zinc/77/51/57/455775157.db2.gz UZVMMGYDRJOESB-QGZVFWFLSA-N 2 1 345.531 3.295 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000269045476 455775161 /nfs/dbraw/zinc/77/51/61/455775161.db2.gz UZVMMGYDRJOESB-QGZVFWFLSA-N 3 1 345.531 3.295 20 0 EGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000250286353 455787245 /nfs/dbraw/zinc/78/72/45/455787245.db2.gz LTIAWZOKDSRLMR-OKZBNKHCSA-N 2 1 333.495 3.377 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC[N@H+]1C ZINC000186570058 455795595 /nfs/dbraw/zinc/79/55/95/455795595.db2.gz GAQWAEWRBQVARI-COXVUDFISA-N 2 1 343.437 3.380 20 0 EGADMP Cc1cnn(C)c1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000285250641 455812510 /nfs/dbraw/zinc/81/25/10/455812510.db2.gz ANFKCZVVKAHFRB-MRXNPFEDSA-N 2 1 326.488 3.250 20 0 EGADMP COCc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000272185850 455870003 /nfs/dbraw/zinc/87/00/03/455870003.db2.gz KZDCAMWYYSDRKA-AEFFLSMTSA-N 2 1 328.456 3.426 20 0 EGADMP COCc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000272185850 455870006 /nfs/dbraw/zinc/87/00/06/455870006.db2.gz KZDCAMWYYSDRKA-AEFFLSMTSA-N 2 1 328.456 3.426 20 0 EGADMP Cc1ccc([C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C2CCC2)cc1 ZINC000187168281 455876422 /nfs/dbraw/zinc/87/64/22/455876422.db2.gz WRZISLHRMXBUFZ-OAQYLSRUSA-N 2 1 329.532 3.453 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OC(F)F ZINC000261605135 455911399 /nfs/dbraw/zinc/91/13/99/455911399.db2.gz AEFAIUQPSDQPQH-GXTWGEPZSA-N 2 1 328.403 3.103 20 0 EGADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC2CC[NH2+]CC2)[C@@H]2CCCC[C@H]12 ZINC000261638279 455919190 /nfs/dbraw/zinc/91/91/90/455919190.db2.gz FLRSYXPZHWQLTO-ORFRNNEJSA-N 2 1 349.563 3.170 20 0 EGADMP COc1cccc([C@H](C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)N(C)C)c1 ZINC000261753493 455940801 /nfs/dbraw/zinc/94/08/01/455940801.db2.gz UZGZVEGWHFKWRF-QRFRQXIXSA-N 2 1 333.520 3.198 20 0 EGADMP c1sc(-c2ccccn2)nc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261777252 455946576 /nfs/dbraw/zinc/94/65/76/455946576.db2.gz RMAXGMLXLBSLKI-INIZCTEOSA-N 2 1 328.485 3.169 20 0 EGADMP CC(C)[NH+]1CCN(C2CCN(c3cc[nH+]c4ccccc43)CC2)CC1 ZINC000270451034 455958066 /nfs/dbraw/zinc/95/80/66/455958066.db2.gz INRWZWWIZHIOJJ-UHFFFAOYSA-N 2 1 338.499 3.230 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC4CCCC4)CC3)C2)cc1 ZINC000286014724 455960472 /nfs/dbraw/zinc/96/04/72/455960472.db2.gz PNUFUVDLBZBHHV-NRFANRHFSA-N 2 1 327.516 3.069 20 0 EGADMP COc1nccc(CNCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n1 ZINC000296589219 455981824 /nfs/dbraw/zinc/98/18/24/455981824.db2.gz XKACXNCYXSHMOH-MRXNPFEDSA-N 2 1 340.471 3.149 20 0 EGADMP COc1nccc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)n1 ZINC000296589219 455981827 /nfs/dbraw/zinc/98/18/27/455981827.db2.gz XKACXNCYXSHMOH-MRXNPFEDSA-N 2 1 340.471 3.149 20 0 EGADMP COc1nccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n1 ZINC000296589219 455981828 /nfs/dbraw/zinc/98/18/28/455981828.db2.gz XKACXNCYXSHMOH-MRXNPFEDSA-N 2 1 340.471 3.149 20 0 EGADMP C[C@H](CO)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272633983 456021055 /nfs/dbraw/zinc/02/10/55/456021055.db2.gz BJYXKMCRMNAHLK-FYZZASKESA-N 2 1 330.516 3.285 20 0 EGADMP CCOc1c(OC)cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000222089979 456045376 /nfs/dbraw/zinc/04/53/76/456045376.db2.gz MHXGFRYENPQOEG-IRXDYDNUSA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000222089979 456045382 /nfs/dbraw/zinc/04/53/82/456045382.db2.gz MHXGFRYENPQOEG-IRXDYDNUSA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000222089979 456045387 /nfs/dbraw/zinc/04/53/87/456045387.db2.gz MHXGFRYENPQOEG-IRXDYDNUSA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000222089979 456045392 /nfs/dbraw/zinc/04/53/92/456045392.db2.gz MHXGFRYENPQOEG-IRXDYDNUSA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000222089979 456045397 /nfs/dbraw/zinc/04/53/97/456045397.db2.gz MHXGFRYENPQOEG-IRXDYDNUSA-N 2 1 348.487 3.019 20 0 EGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000280824297 456060818 /nfs/dbraw/zinc/06/08/18/456060818.db2.gz KIMIOBLIQXTGAT-AWEZNQCLSA-N 2 1 344.421 3.073 20 0 EGADMP Cc1nc2ccccc2n1C[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000271004672 456093848 /nfs/dbraw/zinc/09/38/48/456093848.db2.gz KWLJSHVKVJASGN-ZWKOTPCHSA-N 2 1 326.488 3.293 20 0 EGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000271004672 456093856 /nfs/dbraw/zinc/09/38/56/456093856.db2.gz KWLJSHVKVJASGN-ZWKOTPCHSA-N 2 1 326.488 3.293 20 0 EGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000271004672 456093863 /nfs/dbraw/zinc/09/38/63/456093863.db2.gz KWLJSHVKVJASGN-ZWKOTPCHSA-N 2 1 326.488 3.293 20 0 EGADMP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000280968213 456095971 /nfs/dbraw/zinc/09/59/71/456095971.db2.gz KGUAJHIPGUSKQK-CEXWTWQISA-N 2 1 340.471 3.173 20 0 EGADMP CC[N@@H+](CCOc1ccc(Br)cc1)C[C@H]1CCC[NH2+]C1 ZINC000226438947 456110721 /nfs/dbraw/zinc/11/07/21/456110721.db2.gz OPXQQNLJOVHWFN-AWEZNQCLSA-N 2 1 341.293 3.149 20 0 EGADMP Cc1nn(C(C)C)cc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000281203924 456163720 /nfs/dbraw/zinc/16/37/20/456163720.db2.gz JFXFGGMJNNUWOT-OYRHEFFESA-N 2 1 338.499 3.336 20 0 EGADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289890508 456169854 /nfs/dbraw/zinc/16/98/54/456169854.db2.gz SRKOPTZVOPMDLR-IBGZPJMESA-N 2 1 326.488 3.120 20 0 EGADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289890508 456169858 /nfs/dbraw/zinc/16/98/58/456169858.db2.gz SRKOPTZVOPMDLR-IBGZPJMESA-N 2 1 326.488 3.120 20 0 EGADMP CC(C)(C)c1cnc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)s1 ZINC000333174283 456172633 /nfs/dbraw/zinc/17/26/33/456172633.db2.gz QMNYUMBVDBKDRS-GJZGRUSLSA-N 2 1 337.533 3.159 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@]2(C)CCC[NH2+]C2)c1 ZINC000236727794 456176486 /nfs/dbraw/zinc/17/64/86/456176486.db2.gz SGNOCJIFEIXGCX-OAQYLSRUSA-N 2 1 345.531 3.315 20 0 EGADMP CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000297295699 456176460 /nfs/dbraw/zinc/17/64/60/456176460.db2.gz LZCZYXMIXIUGGG-INIZCTEOSA-N 2 1 342.487 3.227 20 0 EGADMP CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000236778846 456182326 /nfs/dbraw/zinc/18/23/26/456182326.db2.gz LKKPTNQFGIFEBJ-QFBILLFUSA-N 2 1 331.504 3.195 20 0 EGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Oc2cnccn2)cc1 ZINC000281278979 456188048 /nfs/dbraw/zinc/18/80/48/456188048.db2.gz OIKNPGPOJGYVRZ-UHFFFAOYSA-N 2 1 326.444 3.187 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Oc2cnccn2)cc1 ZINC000281278979 456188054 /nfs/dbraw/zinc/18/80/54/456188054.db2.gz OIKNPGPOJGYVRZ-UHFFFAOYSA-N 2 1 326.444 3.187 20 0 EGADMP Cc1nc(C)c(C)c(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)n1 ZINC000301715169 456195180 /nfs/dbraw/zinc/19/51/80/456195180.db2.gz ZSTSYPFDRAXVJF-CQSZACIVSA-N 2 1 340.471 3.235 20 0 EGADMP Cc1nc(C)c(C)c(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)n1 ZINC000301715169 456195186 /nfs/dbraw/zinc/19/51/86/456195186.db2.gz ZSTSYPFDRAXVJF-CQSZACIVSA-N 2 1 340.471 3.235 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1)C(C)C ZINC000236992588 456215035 /nfs/dbraw/zinc/21/50/35/456215035.db2.gz OTUWDNZWNFTZNC-VQIMIIECSA-N 2 1 331.504 3.259 20 0 EGADMP COc1cncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000290018540 456218458 /nfs/dbraw/zinc/21/84/58/456218458.db2.gz SPZASEYKCOQXIV-OXJNMPFZSA-N 2 1 325.456 3.090 20 0 EGADMP COc1cncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000290018540 456218462 /nfs/dbraw/zinc/21/84/62/456218462.db2.gz SPZASEYKCOQXIV-OXJNMPFZSA-N 2 1 325.456 3.090 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)CCCCCC[NH3+])[C@@H]1c1cccs1 ZINC000237085463 456230158 /nfs/dbraw/zinc/23/01/58/456230158.db2.gz VPWFWRWKRVLZGV-CRAIPNDOSA-N 2 1 337.533 3.156 20 0 EGADMP COCCOCc1ccc(CN(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000290165631 456257097 /nfs/dbraw/zinc/25/70/97/456257097.db2.gz XYWCSCFLAMFIQX-HXUWFJFHSA-N 2 1 334.504 3.156 20 0 EGADMP COCCOCc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000290165631 456257101 /nfs/dbraw/zinc/25/71/01/456257101.db2.gz XYWCSCFLAMFIQX-HXUWFJFHSA-N 2 1 334.504 3.156 20 0 EGADMP COCCOCc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000290165631 456257105 /nfs/dbraw/zinc/25/71/05/456257105.db2.gz XYWCSCFLAMFIQX-HXUWFJFHSA-N 2 1 334.504 3.156 20 0 EGADMP COCCOCc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000290165631 456257109 /nfs/dbraw/zinc/25/71/09/456257109.db2.gz XYWCSCFLAMFIQX-HXUWFJFHSA-N 2 1 334.504 3.156 20 0 EGADMP COCCOCc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000290165631 456257113 /nfs/dbraw/zinc/25/71/13/456257113.db2.gz XYWCSCFLAMFIQX-HXUWFJFHSA-N 2 1 334.504 3.156 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1(C)C ZINC000290266291 456277068 /nfs/dbraw/zinc/27/70/68/456277068.db2.gz LDBGBGBWIBSFAZ-IBGZPJMESA-N 2 1 340.515 3.161 20 0 EGADMP COC(C)(C)[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000340172833 456289718 /nfs/dbraw/zinc/28/97/18/456289718.db2.gz WEKQRVURTSTDLB-BBWFWOEESA-N 2 1 334.504 3.199 20 0 EGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000347676428 456298269 /nfs/dbraw/zinc/29/82/69/456298269.db2.gz VNABEVXQJHXYGQ-SFHVURJKSA-N 2 1 340.556 3.059 20 0 EGADMP CC(C)[NH+](CCCNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C)C(C)C ZINC000347685661 456305847 /nfs/dbraw/zinc/30/58/47/456305847.db2.gz HRTFICPJASGILO-QZTJIDSGSA-N 2 1 340.556 3.057 20 0 EGADMP Cc1nc2ccccn2c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336794077 456311071 /nfs/dbraw/zinc/31/10/71/456311071.db2.gz ZOBUPBPIJXZNIY-LJQANCHMSA-N 2 1 334.467 3.254 20 0 EGADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340201355 456311759 /nfs/dbraw/zinc/31/17/59/456311759.db2.gz HAKHGOIAAYTZDK-FVQBIDKESA-N 2 1 330.394 3.379 20 0 EGADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340201355 456311763 /nfs/dbraw/zinc/31/17/63/456311763.db2.gz HAKHGOIAAYTZDK-FVQBIDKESA-N 2 1 330.394 3.379 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-n3cncn3)c2)C[C@@H]1c1ccccc1 ZINC000340243579 456336170 /nfs/dbraw/zinc/33/61/70/456336170.db2.gz HHQOZVNDTKIMKI-PZJWPPBQSA-N 2 1 347.466 3.192 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(-n3cncn3)c2)C[C@@H]1c1ccccc1 ZINC000340243579 456336177 /nfs/dbraw/zinc/33/61/77/456336177.db2.gz HHQOZVNDTKIMKI-PZJWPPBQSA-N 2 1 347.466 3.192 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2cnc(C3CC3)nc2)C[C@H]1c1ccccc1 ZINC000340312640 456379780 /nfs/dbraw/zinc/37/97/80/456379780.db2.gz KQIKHCVAWDBFCE-PMACEKPBSA-N 2 1 336.483 3.322 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cnc(C3CC3)nc2)C[C@H]1c1ccccc1 ZINC000340312640 456379785 /nfs/dbraw/zinc/37/97/85/456379785.db2.gz KQIKHCVAWDBFCE-PMACEKPBSA-N 2 1 336.483 3.322 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1(C)C ZINC000282054556 456401709 /nfs/dbraw/zinc/40/17/09/456401709.db2.gz BEMWZTFMHFFBLP-UHFFFAOYSA-N 2 1 345.462 3.201 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccncc1F ZINC000340350649 456407609 /nfs/dbraw/zinc/40/76/09/456407609.db2.gz QHVKMYDEKRMHGR-CRAIPNDOSA-N 2 1 343.446 3.028 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccncc1F ZINC000340350649 456407616 /nfs/dbraw/zinc/40/76/16/456407616.db2.gz QHVKMYDEKRMHGR-CRAIPNDOSA-N 2 1 343.446 3.028 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@](C)(O)C(F)(F)F)CC1 ZINC000282144961 456424909 /nfs/dbraw/zinc/42/49/09/456424909.db2.gz ZWVIIFSYZHBONG-QGZVFWFLSA-N 2 1 344.421 3.144 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1(C)C ZINC000282152501 456427250 /nfs/dbraw/zinc/42/72/50/456427250.db2.gz CUUIXJDTFWPLEE-SFHVURJKSA-N 2 1 343.515 3.049 20 0 EGADMP C[C@H]([NH2+]CC[S@@](=O)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347957013 456428844 /nfs/dbraw/zinc/42/88/44/456428844.db2.gz MXXBEOGWYUQEOM-YGKZAACZSA-N 2 1 334.529 3.037 20 0 EGADMP c1cc(COc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)ccn1 ZINC000340413323 456444818 /nfs/dbraw/zinc/44/48/18/456444818.db2.gz DAXWCWUOOYVEGB-VQTJNVASSA-N 2 1 337.467 3.377 20 0 EGADMP c1cc(COc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)ccn1 ZINC000340413324 456445450 /nfs/dbraw/zinc/44/54/50/456445450.db2.gz DAXWCWUOOYVEGB-WOJBJXKFSA-N 2 1 337.467 3.377 20 0 EGADMP CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000340419664 456450576 /nfs/dbraw/zinc/45/05/76/456450576.db2.gz YVFCCRXZRVPIIM-CVEARBPZSA-N 2 1 342.487 3.384 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2CC2CCCCC2)CC1 ZINC000303598937 456469938 /nfs/dbraw/zinc/46/99/38/456469938.db2.gz UQUFPNNMXOTVGR-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000303741442 456481344 /nfs/dbraw/zinc/48/13/44/456481344.db2.gz ZFYILAYJYSHYSD-LJQANCHMSA-N 2 1 330.520 3.106 20 0 EGADMP c1nc(SC2CCCC2)ncc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340519226 456505255 /nfs/dbraw/zinc/50/52/55/456505255.db2.gz VIYCLXWCDZIVBC-IAGOWNOFSA-N 2 1 346.544 3.270 20 0 EGADMP COCCOC[C@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000340538280 456520031 /nfs/dbraw/zinc/52/00/31/456520031.db2.gz WFGCFODLTYAMEZ-KKXNLOMOSA-N 2 1 334.504 3.071 20 0 EGADMP CC[C@@H](C)[C@@](C)(O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000305158645 456532584 /nfs/dbraw/zinc/53/25/84/456532584.db2.gz WLEOHWXNVYLZAO-UZLBHIALSA-N 2 1 336.495 3.219 20 0 EGADMP CO[C@@]1(C)CCC[NH+](CCCCC[N@@H+]2CCC[C@](C)(OC)C2)C1 ZINC000348227704 456548361 /nfs/dbraw/zinc/54/83/61/456548361.db2.gz FFQASIPGSDZCJA-OALUTQOASA-N 2 1 326.525 3.159 20 0 EGADMP COc1cc(OC)c(CNC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1F ZINC000651741449 462321079 /nfs/dbraw/zinc/32/10/79/462321079.db2.gz KMTMWBFUSGEJLY-HNNXBMFYSA-N 2 1 338.467 3.301 20 0 EGADMP COc1cc(OC)c(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1F ZINC000651741449 462321082 /nfs/dbraw/zinc/32/10/82/462321082.db2.gz KMTMWBFUSGEJLY-HNNXBMFYSA-N 2 1 338.467 3.301 20 0 EGADMP COc1cc(OC)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1F ZINC000651741449 462321084 /nfs/dbraw/zinc/32/10/84/462321084.db2.gz KMTMWBFUSGEJLY-HNNXBMFYSA-N 2 1 338.467 3.301 20 0 EGADMP COc1cc2[nH+]ccc(N3CC[C@@]4(C3)CCC[N@@H+](C)C4)c2cc1OC ZINC000298924575 456570076 /nfs/dbraw/zinc/57/00/76/456570076.db2.gz OXPBGIDIQRNRQU-FQEVSTJZSA-N 2 1 341.455 3.174 20 0 EGADMP CC(C)(C)OC(=O)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310978904 456586276 /nfs/dbraw/zinc/58/62/76/456586276.db2.gz DQIRBTAIBUCJRL-RBUKOAKNSA-N 2 1 344.499 3.172 20 0 EGADMP CC(C)(C)OC(=O)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310978904 456586281 /nfs/dbraw/zinc/58/62/81/456586281.db2.gz DQIRBTAIBUCJRL-RBUKOAKNSA-N 2 1 344.499 3.172 20 0 EGADMP CC(C)(C)OC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310978904 456586285 /nfs/dbraw/zinc/58/62/85/456586285.db2.gz DQIRBTAIBUCJRL-RBUKOAKNSA-N 2 1 344.499 3.172 20 0 EGADMP C[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCCC[C@H]1C ZINC000353260327 456593988 /nfs/dbraw/zinc/59/39/88/456593988.db2.gz OOQDFHJKCSERPK-QZTJIDSGSA-N 2 1 343.515 3.275 20 0 EGADMP Cn1cc(CCC[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000314059205 456600179 /nfs/dbraw/zinc/60/01/79/456600179.db2.gz YBSYIZSGTCBWLT-HXUWFJFHSA-N 2 1 340.515 3.245 20 0 EGADMP Cc1nn(-c2ccccn2)c(C)c1CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000282746399 456611269 /nfs/dbraw/zinc/61/12/69/456611269.db2.gz GMHWCEDYCUQUDB-SFHVURJKSA-N 2 1 341.503 3.190 20 0 EGADMP Cc1cc([C@H](C)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000282754907 456615066 /nfs/dbraw/zinc/61/50/66/456615066.db2.gz NYDVZZWEKNESDL-JENIJYKNSA-N 2 1 326.488 3.290 20 0 EGADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)oc1C ZINC000282790104 456626729 /nfs/dbraw/zinc/62/67/29/456626729.db2.gz QCVYXKIBGUKTSN-KXBFYZLASA-N 2 1 328.456 3.314 20 0 EGADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)oc1C ZINC000282790104 456626732 /nfs/dbraw/zinc/62/67/32/456626732.db2.gz QCVYXKIBGUKTSN-KXBFYZLASA-N 2 1 328.456 3.314 20 0 EGADMP Cc1ccccc1-c1noc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000324966693 456677270 /nfs/dbraw/zinc/67/72/70/456677270.db2.gz MDTRMRMOIBEMIE-KRWDZBQOSA-N 2 1 326.444 3.009 20 0 EGADMP CC1CC[NH+](CCC[NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000338192919 456695691 /nfs/dbraw/zinc/69/56/91/456695691.db2.gz IGVNFZYLPBYYMV-OAQYLSRUSA-N 2 1 338.499 3.472 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC2CCC(C[NH3+])CC2)cc1)C(C)C ZINC000343596395 456732256 /nfs/dbraw/zinc/73/22/56/456732256.db2.gz BOJYBAHJEUBDCA-UHFFFAOYSA-N 2 1 345.531 3.412 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000283194072 456733145 /nfs/dbraw/zinc/73/31/45/456733145.db2.gz KVXGNYVIDDWKCA-CDHQVMDDSA-N 2 1 342.483 3.242 20 0 EGADMP CN(CCC[N@@H+](C)CCC(=O)Nc1ccc(F)cc1)Cc1ccco1 ZINC000353544107 456747083 /nfs/dbraw/zinc/74/70/83/456747083.db2.gz ANDLJKKBRZQWFI-UHFFFAOYSA-N 2 1 347.434 3.201 20 0 EGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CCCO[C@H]3CCCCO3)C1)CCCC2 ZINC000338325410 456773614 /nfs/dbraw/zinc/77/36/14/456773614.db2.gz WKAKEDBDKRZUNA-PXNSSMCTSA-N 2 1 347.503 3.250 20 0 EGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CCCO[C@H]3CCCCO3)C1)CCCC2 ZINC000338325410 456773618 /nfs/dbraw/zinc/77/36/18/456773618.db2.gz WKAKEDBDKRZUNA-PXNSSMCTSA-N 2 1 347.503 3.250 20 0 EGADMP Cc1n[nH]cc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000353616518 456806110 /nfs/dbraw/zinc/80/61/10/456806110.db2.gz AVSSHVYQKVNQPK-HLAWJBBLSA-N 2 1 338.499 3.499 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C)cc1-c1ccnn1C ZINC000338429385 456814334 /nfs/dbraw/zinc/81/43/34/456814334.db2.gz FOXYHKJPUQKXAB-INIZCTEOSA-N 2 1 337.471 3.326 20 0 EGADMP CC(C)[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000344680818 456846060 /nfs/dbraw/zinc/84/60/60/456846060.db2.gz CYQHLKXLPVVFKG-WOJBJXKFSA-N 2 1 345.531 3.162 20 0 EGADMP CCc1oc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C(=O)OC ZINC000338948139 456868674 /nfs/dbraw/zinc/86/86/74/456868674.db2.gz MCMNBUZHKFCQFU-RDTXWAMCSA-N 2 1 346.471 3.077 20 0 EGADMP C[C@H]1CCC[C@@](CNC2CC[NH+](Cc3ccccn3)CC2)([NH+](C)C)C1 ZINC000341512391 456872126 /nfs/dbraw/zinc/87/21/26/456872126.db2.gz SHXHJQJMYZDLKO-GHTZIAJQSA-N 2 1 344.547 3.146 20 0 EGADMP CCC[NH+](CCC)CCCNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000348828717 456874248 /nfs/dbraw/zinc/87/42/48/456874248.db2.gz SUKVVFLBNJLTMI-SFHVURJKSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](CCC)CCCNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000348828717 456874253 /nfs/dbraw/zinc/87/42/53/456874253.db2.gz SUKVVFLBNJLTMI-SFHVURJKSA-N 2 1 345.531 3.062 20 0 EGADMP C[C@]12CCCN1C[C@H](c1noc([C@@H]3CCC[N@H+]3C3CCCC3)n1)OC2 ZINC000329574083 456910281 /nfs/dbraw/zinc/91/02/81/456910281.db2.gz JOWMFONNRSMGAT-FRQCXROJSA-N 2 1 346.475 3.075 20 0 EGADMP CC(C)CCn1cccc1CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000349303897 456937516 /nfs/dbraw/zinc/93/75/16/456937516.db2.gz ZJYWMLHPJOPHHJ-LJQANCHMSA-N 2 1 346.563 3.135 20 0 EGADMP CC(C)CCn1cccc1CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349303897 456937519 /nfs/dbraw/zinc/93/75/19/456937519.db2.gz ZJYWMLHPJOPHHJ-LJQANCHMSA-N 2 1 346.563 3.135 20 0 EGADMP CC[N@H+]1CC[C@H](N[C@@H](CC[NH+](C)CCOC)c2ccccc2)[C@@H](C)C1 ZINC000345155693 456945544 /nfs/dbraw/zinc/94/55/44/456945544.db2.gz CTFJDFGVRLDDJY-JBACZVJFSA-N 2 1 347.547 3.016 20 0 EGADMP CC[NH+]1CC[C@H](N[C@@H](CC[N@H+](C)CCOC)c2ccccc2)[C@@H](C)C1 ZINC000345155693 456945549 /nfs/dbraw/zinc/94/55/49/456945549.db2.gz CTFJDFGVRLDDJY-JBACZVJFSA-N 2 1 347.547 3.016 20 0 EGADMP CC[NH+]1CC[C@H](N[C@@H](CC[N@@H+](C)CCOC)c2ccccc2)[C@@H](C)C1 ZINC000345155693 456945554 /nfs/dbraw/zinc/94/55/54/456945554.db2.gz CTFJDFGVRLDDJY-JBACZVJFSA-N 2 1 347.547 3.016 20 0 EGADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000345179527 456955412 /nfs/dbraw/zinc/95/54/12/456955412.db2.gz MQSQGAZMZDRAJA-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000345179527 456955415 /nfs/dbraw/zinc/95/54/15/456955415.db2.gz MQSQGAZMZDRAJA-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP COc1cccc(OC(F)(F)F)c1CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000353948362 456975981 /nfs/dbraw/zinc/97/59/81/456975981.db2.gz UGQNHUJGDPJGQZ-AAEUAGOBSA-N 2 1 332.366 3.024 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)CC(C)C ZINC000345679579 456988122 /nfs/dbraw/zinc/98/81/22/456988122.db2.gz CUMYWDZMICVKQY-WOJBJXKFSA-N 2 1 345.531 3.134 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)CC(C)C ZINC000345679579 456988128 /nfs/dbraw/zinc/98/81/28/456988128.db2.gz CUMYWDZMICVKQY-WOJBJXKFSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358867573 457013105 /nfs/dbraw/zinc/01/31/05/457013105.db2.gz XSZQVKYRCXPHIC-GUDVDZBRSA-N 2 1 346.515 3.338 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3conc3CC)CC2)cs1 ZINC000339246423 457014849 /nfs/dbraw/zinc/01/48/49/457014849.db2.gz AUGQTTRMRNWSRP-UHFFFAOYSA-N 2 1 348.516 3.258 20 0 EGADMP COCc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000356535211 457041973 /nfs/dbraw/zinc/04/19/73/457041973.db2.gz WZFYFPGVQFKILX-OALUTQOASA-N 2 1 340.467 3.380 20 0 EGADMP COCc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000356535211 457041978 /nfs/dbraw/zinc/04/19/78/457041978.db2.gz WZFYFPGVQFKILX-OALUTQOASA-N 2 1 340.467 3.380 20 0 EGADMP COCc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000356535211 457041982 /nfs/dbraw/zinc/04/19/82/457041982.db2.gz WZFYFPGVQFKILX-OALUTQOASA-N 2 1 340.467 3.380 20 0 EGADMP COCc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000356535211 457041988 /nfs/dbraw/zinc/04/19/88/457041988.db2.gz WZFYFPGVQFKILX-OALUTQOASA-N 2 1 340.467 3.380 20 0 EGADMP COc1cc(CN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000346593367 457064974 /nfs/dbraw/zinc/06/49/74/457064974.db2.gz BMDICCAFLOIPEC-LFUKPOHLSA-N 2 1 339.483 3.336 20 0 EGADMP COc1cc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000346593367 457064978 /nfs/dbraw/zinc/06/49/78/457064978.db2.gz BMDICCAFLOIPEC-LFUKPOHLSA-N 2 1 339.483 3.336 20 0 EGADMP COC1CCC([NH+](C)CC(C)C[N@H+](C)C2CCC(OC)CC2)CC1 ZINC000346637906 457084761 /nfs/dbraw/zinc/08/47/61/457084761.db2.gz FAHXOZDLBWMJEK-UHFFFAOYSA-N 2 1 340.552 3.401 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C[C@@H]21 ZINC000342088851 457102796 /nfs/dbraw/zinc/10/27/96/457102796.db2.gz ASPAACHHPZOBOR-SESVDKBCSA-N 2 1 349.478 3.498 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2nc(-c3ccccc3)no2)C[C@H]1C ZINC000354224087 457140240 /nfs/dbraw/zinc/14/02/40/457140240.db2.gz PYECDBHGZXBPCW-WBVHZDCISA-N 2 1 328.460 3.084 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2nc(-c3ccccc3)no2)C[C@H]1C ZINC000354224087 457140247 /nfs/dbraw/zinc/14/02/47/457140247.db2.gz PYECDBHGZXBPCW-WBVHZDCISA-N 2 1 328.460 3.084 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2nc(-c3ccccc3)no2)C[C@H]1C ZINC000354224087 457140251 /nfs/dbraw/zinc/14/02/51/457140251.db2.gz PYECDBHGZXBPCW-WBVHZDCISA-N 2 1 328.460 3.084 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2nc(-c3ccccc3)no2)C[C@H]1C ZINC000354224087 457140253 /nfs/dbraw/zinc/14/02/53/457140253.db2.gz PYECDBHGZXBPCW-WBVHZDCISA-N 2 1 328.460 3.084 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+](C)C[C@@H]3C)cc2)C1 ZINC000359910808 457143483 /nfs/dbraw/zinc/14/34/83/457143483.db2.gz LNFMVWJHUIZZCI-LQWHRVPQSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)cc2)C1 ZINC000359910808 457143490 /nfs/dbraw/zinc/14/34/90/457143490.db2.gz LNFMVWJHUIZZCI-LQWHRVPQSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)cc2)C1 ZINC000359910808 457143496 /nfs/dbraw/zinc/14/34/96/457143496.db2.gz LNFMVWJHUIZZCI-LQWHRVPQSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCN(C)C[C@@H]3C)cc2)C1 ZINC000359910808 457143498 /nfs/dbraw/zinc/14/34/98/457143498.db2.gz LNFMVWJHUIZZCI-LQWHRVPQSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCN(C)C[C@@H]3C)cc2)C1 ZINC000359910808 457143506 /nfs/dbraw/zinc/14/35/06/457143506.db2.gz LNFMVWJHUIZZCI-LQWHRVPQSA-N 2 1 329.532 3.348 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346825169 457178488 /nfs/dbraw/zinc/17/84/88/457178488.db2.gz ATYFEWGYCMFJSX-DOPJRALCSA-N 2 1 330.863 3.003 20 0 EGADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000354383736 457190449 /nfs/dbraw/zinc/19/04/49/457190449.db2.gz GCVRMSYIKMSDRR-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000354383736 457190453 /nfs/dbraw/zinc/19/04/53/457190453.db2.gz GCVRMSYIKMSDRR-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000354383736 457190458 /nfs/dbraw/zinc/19/04/58/457190458.db2.gz GCVRMSYIKMSDRR-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000354383736 457190460 /nfs/dbraw/zinc/19/04/60/457190460.db2.gz GCVRMSYIKMSDRR-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000356878258 457193854 /nfs/dbraw/zinc/19/38/54/457193854.db2.gz SRCJSRODKJJBDP-LSDHHAIUSA-N 2 1 335.458 3.256 20 0 EGADMP C[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[N@H+]1CCCC[C@@H]1C ZINC000356878258 457193860 /nfs/dbraw/zinc/19/38/60/457193860.db2.gz SRCJSRODKJJBDP-LSDHHAIUSA-N 2 1 335.458 3.256 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000360030982 457214486 /nfs/dbraw/zinc/21/44/86/457214486.db2.gz YKDCKGKHMLJJMO-IMJJTQAJSA-N 2 1 327.472 3.194 20 0 EGADMP Cn1c2cc(Cl)ccc2nc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347082500 457220799 /nfs/dbraw/zinc/22/07/99/457220799.db2.gz ZHCPVOJIPWOOGB-HNNXBMFYSA-N 2 1 332.879 3.191 20 0 EGADMP C[N@H+](Cc1ccccc1OCc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347089536 457225037 /nfs/dbraw/zinc/22/50/37/457225037.db2.gz FAMFDBOONYQXHK-UFRUDQCGSA-N 2 1 337.467 3.375 20 0 EGADMP C[N@@H+](Cc1ccccc1OCc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347089536 457225040 /nfs/dbraw/zinc/22/50/40/457225040.db2.gz FAMFDBOONYQXHK-UFRUDQCGSA-N 2 1 337.467 3.375 20 0 EGADMP CC(C)N1CCC[C@H]([NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1=O ZINC000357008154 457272707 /nfs/dbraw/zinc/27/27/07/457272707.db2.gz DXCNTEDSBPWXGX-ICSRJNTNSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000351591369 457304937 /nfs/dbraw/zinc/30/49/37/457304937.db2.gz DKXYZQPBRIUFSZ-DLBZAZTESA-N 2 1 344.421 3.447 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000351591369 457304939 /nfs/dbraw/zinc/30/49/39/457304939.db2.gz DKXYZQPBRIUFSZ-DLBZAZTESA-N 2 1 344.421 3.447 20 0 EGADMP CC[N@H+](CCC1CC[NH+](Cc2nc(C3CC3)no2)CC1)CC1CC1 ZINC000357073015 457307408 /nfs/dbraw/zinc/30/74/08/457307408.db2.gz DVEXZNAKBXUFNK-UHFFFAOYSA-N 2 1 332.492 3.281 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2nc(C3CC3)no2)CC1)CC1CC1 ZINC000357073015 457307410 /nfs/dbraw/zinc/30/74/10/457307410.db2.gz DVEXZNAKBXUFNK-UHFFFAOYSA-N 2 1 332.492 3.281 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000351848686 457320296 /nfs/dbraw/zinc/32/02/96/457320296.db2.gz DVAVQKQRPOONRM-GDBMZVCRSA-N 2 1 345.874 3.483 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000351848686 457320299 /nfs/dbraw/zinc/32/02/99/457320299.db2.gz DVAVQKQRPOONRM-GDBMZVCRSA-N 2 1 345.874 3.483 20 0 EGADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000355364948 457365421 /nfs/dbraw/zinc/36/54/21/457365421.db2.gz FEPISVYXFQHVTA-HOCLYGCPSA-N 2 1 346.500 3.183 20 0 EGADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000355364948 457365423 /nfs/dbraw/zinc/36/54/23/457365423.db2.gz FEPISVYXFQHVTA-HOCLYGCPSA-N 2 1 346.500 3.183 20 0 EGADMP c1ccc(COc2ccccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000363616865 457384286 /nfs/dbraw/zinc/38/42/86/457384286.db2.gz VODJOVWCTPSNJN-AZUAARDMSA-N 2 1 337.467 3.377 20 0 EGADMP c1ccc(COc2ccccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000363616865 457384293 /nfs/dbraw/zinc/38/42/93/457384293.db2.gz VODJOVWCTPSNJN-AZUAARDMSA-N 2 1 337.467 3.377 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000378249654 457384743 /nfs/dbraw/zinc/38/47/43/457384743.db2.gz YAZNQENQYBATQZ-OXJNMPFZSA-N 2 1 347.934 3.428 20 0 EGADMP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352494814 457413695 /nfs/dbraw/zinc/41/36/95/457413695.db2.gz FXGYMWNVOGLXEZ-XLIONFOSSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352494814 457413702 /nfs/dbraw/zinc/41/37/02/457413702.db2.gz FXGYMWNVOGLXEZ-XLIONFOSSA-N 2 1 343.515 3.017 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000382730489 457423727 /nfs/dbraw/zinc/42/37/27/457423727.db2.gz ANAVXDGFVROXOW-ICSRJNTNSA-N 2 1 345.531 3.121 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000385474104 457428975 /nfs/dbraw/zinc/42/89/75/457428975.db2.gz AUVHWJHGZXMHEX-GXRSIYKFSA-N 3 1 341.543 3.409 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000385474104 457428982 /nfs/dbraw/zinc/42/89/82/457428982.db2.gz AUVHWJHGZXMHEX-GXRSIYKFSA-N 2 1 341.543 3.409 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000385474104 457428990 /nfs/dbraw/zinc/42/89/90/457428990.db2.gz AUVHWJHGZXMHEX-GXRSIYKFSA-N 2 1 341.543 3.409 20 0 EGADMP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374073562 457468279 /nfs/dbraw/zinc/46/82/79/457468279.db2.gz BERVVLBJHNCHKD-MRXNPFEDSA-N 2 1 347.478 3.269 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000342724775 457479909 /nfs/dbraw/zinc/47/99/09/457479909.db2.gz HIYCEVKWBVILLZ-TXPKVOOTSA-N 2 1 329.488 3.388 20 0 EGADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(Cl)c1OC ZINC000397281506 457485955 /nfs/dbraw/zinc/48/59/55/457485955.db2.gz DNVMVUAQSIPPOY-OBJOEFQTSA-N 2 1 326.868 3.162 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(Cl)c1OC ZINC000397281506 457485959 /nfs/dbraw/zinc/48/59/59/457485959.db2.gz DNVMVUAQSIPPOY-OBJOEFQTSA-N 2 1 326.868 3.162 20 0 EGADMP C[C@H](CCc1ccsc1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000360982278 457487779 /nfs/dbraw/zinc/48/77/79/457487779.db2.gz IAYAXWXTUDAJDF-XLIONFOSSA-N 2 1 344.524 3.296 20 0 EGADMP C[C@H](CCc1ccsc1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000360982278 457487789 /nfs/dbraw/zinc/48/77/89/457487789.db2.gz IAYAXWXTUDAJDF-XLIONFOSSA-N 2 1 344.524 3.296 20 0 EGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1Cl ZINC000342736989 457488976 /nfs/dbraw/zinc/48/89/76/457488976.db2.gz QSCWUIJGVCIOEX-GDBMZVCRSA-N 2 1 340.895 3.235 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCCC[NH+]1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000356165351 457499815 /nfs/dbraw/zinc/49/98/15/457499815.db2.gz HRYWAEHPWWOHEL-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)[NH+](C)Cc1ccccc1 ZINC000356165351 457499824 /nfs/dbraw/zinc/49/98/24/457499824.db2.gz HRYWAEHPWWOHEL-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)[NH+](C)Cc1ccccc1 ZINC000356165351 457499833 /nfs/dbraw/zinc/49/98/33/457499833.db2.gz HRYWAEHPWWOHEL-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000374241685 457541360 /nfs/dbraw/zinc/54/13/60/457541360.db2.gz OSLDZFYVKWJMHB-RTBURBONSA-N 2 1 344.547 3.032 20 0 EGADMP COc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c(Cl)c1OC ZINC000404410275 457543207 /nfs/dbraw/zinc/54/32/07/457543207.db2.gz BZDMEGWEYXWCPN-JSGCOSHPSA-N 2 1 326.868 3.307 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c(Cl)c1OC ZINC000404410275 457543215 /nfs/dbraw/zinc/54/32/15/457543215.db2.gz BZDMEGWEYXWCPN-JSGCOSHPSA-N 2 1 326.868 3.307 20 0 EGADMP CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000352743044 457575949 /nfs/dbraw/zinc/57/59/49/457575949.db2.gz SNORXBFQAOTQAB-GOEBONIOSA-N 2 1 325.522 3.278 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000370286956 457608278 /nfs/dbraw/zinc/60/82/78/457608278.db2.gz AHBXJUPBFRCHRQ-PKOBYXMFSA-N 2 1 331.504 3.117 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@]3(C)CCCC[NH2+]3)cc2)C1 ZINC000357789083 457690099 /nfs/dbraw/zinc/69/00/99/457690099.db2.gz JPUYHWLZOYQFAT-UTKZUKDTSA-N 2 1 343.515 3.067 20 0 EGADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)o1 ZINC000357792313 457691783 /nfs/dbraw/zinc/69/17/83/457691783.db2.gz KAOLJPSHBNBNMA-BEFAXECRSA-N 2 1 327.472 3.477 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)CC[N@@H+]1C ZINC000370654876 457692074 /nfs/dbraw/zinc/69/20/74/457692074.db2.gz YIOWAFUDZUUBST-GDBMZVCRSA-N 2 1 344.528 3.337 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)CC[N@H+]1C ZINC000370654876 457692077 /nfs/dbraw/zinc/69/20/77/457692077.db2.gz YIOWAFUDZUUBST-GDBMZVCRSA-N 2 1 344.528 3.337 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC000357804759 457696293 /nfs/dbraw/zinc/69/62/93/457696293.db2.gz MHWAKMSOMNXNKT-QGZVFWFLSA-N 2 1 331.504 3.019 20 0 EGADMP C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000364819041 457699501 /nfs/dbraw/zinc/69/95/01/457699501.db2.gz VTTCQQJPNXPSQN-UHFFFAOYSA-N 2 1 338.377 3.279 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000357829862 457703797 /nfs/dbraw/zinc/70/37/97/457703797.db2.gz OSFNPCGEMSUCLD-GOSISDBHSA-N 2 1 345.531 3.408 20 0 EGADMP CC(C)[NH+](CCCCC[N@H+](C(C)C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000361409234 457721408 /nfs/dbraw/zinc/72/14/08/457721408.db2.gz UFCHNASVGYSJLA-OALUTQOASA-N 2 1 326.525 3.155 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)cc1O ZINC000365187314 457729334 /nfs/dbraw/zinc/72/93/34/457729334.db2.gz ZOHSNLQKHMUEKC-DOTOQJQBSA-N 2 1 332.488 3.328 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)cc1O ZINC000365187314 457729336 /nfs/dbraw/zinc/72/93/36/457729336.db2.gz ZOHSNLQKHMUEKC-DOTOQJQBSA-N 2 1 332.488 3.328 20 0 EGADMP FC(F)CN1CCC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000361443210 457733444 /nfs/dbraw/zinc/73/34/44/457733444.db2.gz QDVAEIHEFFOOAW-QGZVFWFLSA-N 2 1 329.479 3.103 20 0 EGADMP FC(F)CN1CCC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000361443210 457733449 /nfs/dbraw/zinc/73/34/49/457733449.db2.gz QDVAEIHEFFOOAW-QGZVFWFLSA-N 2 1 329.479 3.103 20 0 EGADMP C[N@H+](CCCc1ccsc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425973182 457750287 /nfs/dbraw/zinc/75/02/87/457750287.db2.gz GRWGHSGJLPMMKE-HXUWFJFHSA-N 2 1 344.524 3.250 20 0 EGADMP C[N@@H+](CCCc1ccsc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425973182 457750294 /nfs/dbraw/zinc/75/02/94/457750294.db2.gz GRWGHSGJLPMMKE-HXUWFJFHSA-N 2 1 344.524 3.250 20 0 EGADMP C[NH+](CCCc1ccsc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425973182 457750301 /nfs/dbraw/zinc/75/03/01/457750301.db2.gz GRWGHSGJLPMMKE-HXUWFJFHSA-N 2 1 344.524 3.250 20 0 EGADMP C[NH+](CCCc1ccsc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425973182 457750308 /nfs/dbraw/zinc/75/03/08/457750308.db2.gz GRWGHSGJLPMMKE-HXUWFJFHSA-N 2 1 344.524 3.250 20 0 EGADMP CSc1ccccc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000358044293 457750933 /nfs/dbraw/zinc/75/09/33/457750933.db2.gz FRZZMLXUWCZUDC-QZTJIDSGSA-N 2 1 347.572 3.399 20 0 EGADMP CC(C)OC(=O)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433126910 457762557 /nfs/dbraw/zinc/76/25/57/457762557.db2.gz FMUZSTPOUJWDLJ-UHFFFAOYSA-N 2 1 344.499 3.316 20 0 EGADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nn1C ZINC000433180655 457770401 /nfs/dbraw/zinc/77/04/01/457770401.db2.gz YGTZYSYARBZSRD-UHFFFAOYSA-N 2 1 338.499 3.217 20 0 EGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000371159007 457812293 /nfs/dbraw/zinc/81/22/93/457812293.db2.gz YQHGZHWSDGFDDX-UHFFFAOYSA-N 3 1 329.532 3.315 20 0 EGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccccc1 ZINC000371159007 457812303 /nfs/dbraw/zinc/81/23/03/457812303.db2.gz YQHGZHWSDGFDDX-UHFFFAOYSA-N 3 1 329.532 3.315 20 0 EGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccccc1 ZINC000371159007 457812309 /nfs/dbraw/zinc/81/23/09/457812309.db2.gz YQHGZHWSDGFDDX-UHFFFAOYSA-N 3 1 329.532 3.315 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1O ZINC000426401489 457822166 /nfs/dbraw/zinc/82/21/66/457822166.db2.gz PSFGRFURNGBQHZ-IXDOHACOSA-N 2 1 334.504 3.432 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1O ZINC000426401489 457822174 /nfs/dbraw/zinc/82/21/74/457822174.db2.gz PSFGRFURNGBQHZ-IXDOHACOSA-N 2 1 334.504 3.432 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000371204799 457825655 /nfs/dbraw/zinc/82/56/55/457825655.db2.gz KDZGLFAPEDIXMI-FQEVSTJZSA-N 2 1 326.488 3.178 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000371204799 457825660 /nfs/dbraw/zinc/82/56/60/457825660.db2.gz KDZGLFAPEDIXMI-FQEVSTJZSA-N 2 1 326.488 3.178 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366487069 457825929 /nfs/dbraw/zinc/82/59/29/457825929.db2.gz FKDXLWUXHPINNI-HXUWFJFHSA-N 2 1 342.462 3.156 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366487069 457825936 /nfs/dbraw/zinc/82/59/36/457825936.db2.gz FKDXLWUXHPINNI-HXUWFJFHSA-N 2 1 342.462 3.156 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366487069 457825941 /nfs/dbraw/zinc/82/59/41/457825941.db2.gz FKDXLWUXHPINNI-HXUWFJFHSA-N 2 1 342.462 3.156 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366487069 457825952 /nfs/dbraw/zinc/82/59/52/457825952.db2.gz FKDXLWUXHPINNI-HXUWFJFHSA-N 2 1 342.462 3.156 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC000361791515 457862074 /nfs/dbraw/zinc/86/20/74/457862074.db2.gz ZTOJQFDHJUIDSU-ZWKOTPCHSA-N 2 1 340.556 3.010 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc([C@H]4C[C@H]4C)o3)C2)CC1 ZINC000371333653 457872608 /nfs/dbraw/zinc/87/26/08/457872608.db2.gz FBCDZAWOFYAZLS-LMMKCTJWSA-N 2 1 331.504 3.003 20 0 EGADMP CC(=O)N1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C(C)(C)C1 ZINC000411480051 457898735 /nfs/dbraw/zinc/89/87/35/457898735.db2.gz HIEOVYQTDCYGEP-UHFFFAOYSA-N 2 1 343.515 3.115 20 0 EGADMP CC(=O)N1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C(C)(C)C1 ZINC000411480051 457898744 /nfs/dbraw/zinc/89/87/44/457898744.db2.gz HIEOVYQTDCYGEP-UHFFFAOYSA-N 2 1 343.515 3.115 20 0 EGADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000361888505 457931967 /nfs/dbraw/zinc/93/19/67/457931967.db2.gz JXTQPMQUOUQSIR-HKUYNNGSSA-N 2 1 330.497 3.426 20 0 EGADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000361888505 457931971 /nfs/dbraw/zinc/93/19/71/457931971.db2.gz JXTQPMQUOUQSIR-HKUYNNGSSA-N 2 1 330.497 3.426 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2c(C)noc2C)[C@@H](C)C1 ZINC000358341377 457944885 /nfs/dbraw/zinc/94/48/85/457944885.db2.gz NGPGXFABZGONAA-MPGHIAIKSA-N 2 1 337.508 3.122 20 0 EGADMP c1cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)ccc1C[NH+]1CCCCC1 ZINC000411717941 457959979 /nfs/dbraw/zinc/95/99/79/457959979.db2.gz JRURIVNKUWPPTO-RTWAWAEBSA-N 2 1 344.499 3.052 20 0 EGADMP c1cc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)ccc1C[NH+]1CCCCC1 ZINC000411717941 457959985 /nfs/dbraw/zinc/95/99/85/457959985.db2.gz JRURIVNKUWPPTO-RTWAWAEBSA-N 2 1 344.499 3.052 20 0 EGADMP Cn1ncc2c1CCC[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000411852057 457992420 /nfs/dbraw/zinc/99/24/20/457992420.db2.gz LTZYGHNXCNYKLT-UHFFFAOYSA-N 2 1 338.499 3.354 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000362025925 458012135 /nfs/dbraw/zinc/01/21/35/458012135.db2.gz LNSDLAACHJCLPD-YJBOKZPZSA-N 2 1 332.492 3.085 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000434623936 458024718 /nfs/dbraw/zinc/02/47/18/458024718.db2.gz OCGFTFXYINABGI-HXUWFJFHSA-N 2 1 349.494 3.055 20 0 EGADMP O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000368445619 458039025 /nfs/dbraw/zinc/03/90/25/458039025.db2.gz MPCAEAPXNUSEFX-CXIVCQEWSA-N 2 1 339.483 3.036 20 0 EGADMP Clc1ccc(-c2noc(CC[N@H+]3CCC4(C3)CC[NH2+]CC4)n2)cc1 ZINC000358520537 458053313 /nfs/dbraw/zinc/05/33/13/458053313.db2.gz VVFQCDMJKZASOC-UHFFFAOYSA-N 2 1 346.862 3.008 20 0 EGADMP CSC[C@H](CCO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000375837078 458086731 /nfs/dbraw/zinc/08/67/31/458086731.db2.gz FXGASGNMVJIBOD-XBMUEBEBSA-N 2 1 336.545 3.133 20 0 EGADMP Cc1cccnc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000362342317 458115563 /nfs/dbraw/zinc/11/55/63/458115563.db2.gz QLVYWZZLDGMODS-UHFFFAOYSA-N 2 1 344.547 3.018 20 0 EGADMP CSc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000375903575 458117332 /nfs/dbraw/zinc/11/73/32/458117332.db2.gz IEHUFUOWRWDRLN-GOSISDBHSA-N 2 1 333.545 3.009 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435370679 458121715 /nfs/dbraw/zinc/12/17/15/458121715.db2.gz QBWZECDJNADUPI-GOSISDBHSA-N 2 1 339.483 3.448 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000435372422 458122237 /nfs/dbraw/zinc/12/22/37/458122237.db2.gz APVOTJXZOQUZPQ-IUODEOHRSA-N 2 1 332.879 3.312 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435373769 458125339 /nfs/dbraw/zinc/12/53/39/458125339.db2.gz FTYHTXMTJQFEFQ-OCCSQVGLSA-N 2 1 338.377 3.060 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000435376906 458126459 /nfs/dbraw/zinc/12/64/59/458126459.db2.gz WBWBDAPHAQDGEO-GRDNDAEWSA-N 2 1 338.879 3.067 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000435376906 458126466 /nfs/dbraw/zinc/12/64/66/458126466.db2.gz WBWBDAPHAQDGEO-GRDNDAEWSA-N 2 1 338.879 3.067 20 0 EGADMP CC(C)O[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000428366811 458128263 /nfs/dbraw/zinc/12/82/63/458128263.db2.gz ZSJWIZZIVPSMRL-XRXFAXGQSA-N 2 1 346.515 3.336 20 0 EGADMP CC[N@@H+](Cc1ccc(Oc2cnccn2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435381602 458129901 /nfs/dbraw/zinc/12/99/01/458129901.db2.gz UXEYCXMGMNJIRG-KRWDZBQOSA-N 2 1 326.444 3.233 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000435391662 458136007 /nfs/dbraw/zinc/13/60/07/458136007.db2.gz SZZMVTAZZJUKOD-GOSISDBHSA-N 2 1 339.483 3.319 20 0 EGADMP Cc1cccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1C ZINC000428424742 458140049 /nfs/dbraw/zinc/14/00/49/458140049.db2.gz SIIJNRZGWNVABX-JOCHJYFZSA-N 2 1 338.495 3.372 20 0 EGADMP Cc1cccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1C ZINC000428424742 458140051 /nfs/dbraw/zinc/14/00/51/458140051.db2.gz SIIJNRZGWNVABX-JOCHJYFZSA-N 2 1 338.495 3.372 20 0 EGADMP Cc1cccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1C ZINC000428424742 458140054 /nfs/dbraw/zinc/14/00/54/458140054.db2.gz SIIJNRZGWNVABX-JOCHJYFZSA-N 2 1 338.495 3.372 20 0 EGADMP Cc1cccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000428424742 458140058 /nfs/dbraw/zinc/14/00/58/458140058.db2.gz SIIJNRZGWNVABX-JOCHJYFZSA-N 2 1 338.495 3.372 20 0 EGADMP Fc1cncc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435427941 458144679 /nfs/dbraw/zinc/14/46/79/458144679.db2.gz PNPGXGILVJVOGJ-QGZVFWFLSA-N 2 1 331.460 3.427 20 0 EGADMP Fc1cncc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435427941 458144685 /nfs/dbraw/zinc/14/46/85/458144685.db2.gz PNPGXGILVJVOGJ-QGZVFWFLSA-N 2 1 331.460 3.427 20 0 EGADMP CC[C@@H]1C[C@H](C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)CCO1 ZINC000435441031 458148413 /nfs/dbraw/zinc/14/84/13/458148413.db2.gz CHVMTOICZSCTSA-IXDOHACOSA-N 2 1 337.533 3.068 20 0 EGADMP CCC[C@@H](NC(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435618009 458174150 /nfs/dbraw/zinc/17/41/50/458174150.db2.gz OYFVWEXWSABTHD-RTBURBONSA-N 2 1 331.504 3.108 20 0 EGADMP CCC[C@@H](NC(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435618009 458174159 /nfs/dbraw/zinc/17/41/59/458174159.db2.gz OYFVWEXWSABTHD-RTBURBONSA-N 2 1 331.504 3.108 20 0 EGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)CC[C@H]3CCCC[N@H+]3C)ccc21 ZINC000412378346 458186479 /nfs/dbraw/zinc/18/64/79/458186479.db2.gz LXSCXSYCRPETBH-IEBWSBKVSA-N 2 1 329.488 3.439 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)[C@H]1C ZINC000435726761 458191015 /nfs/dbraw/zinc/19/10/15/458191015.db2.gz RUMWWKSPCISDTC-DKKFBQAASA-N 2 1 336.520 3.351 20 0 EGADMP Cc1ccc(CC2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)cc1C ZINC000428734536 458201434 /nfs/dbraw/zinc/20/14/34/458201434.db2.gz ASSSCZZZRLRGKK-NRFANRHFSA-N 2 1 330.516 3.013 20 0 EGADMP Cc1ccc(CC2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)cc1C ZINC000428734536 458201439 /nfs/dbraw/zinc/20/14/39/458201439.db2.gz ASSSCZZZRLRGKK-NRFANRHFSA-N 2 1 330.516 3.013 20 0 EGADMP CCOc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000362502613 458223990 /nfs/dbraw/zinc/22/39/90/458223990.db2.gz MNPGKIXNAOXJPP-WMZOPIPTSA-N 2 1 347.503 3.219 20 0 EGADMP CCOc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000362502613 458223998 /nfs/dbraw/zinc/22/39/98/458223998.db2.gz MNPGKIXNAOXJPP-WMZOPIPTSA-N 2 1 347.503 3.219 20 0 EGADMP CCOc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000362502613 458224001 /nfs/dbraw/zinc/22/40/01/458224001.db2.gz MNPGKIXNAOXJPP-WMZOPIPTSA-N 2 1 347.503 3.219 20 0 EGADMP CCOc1ccccc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000362508497 458228696 /nfs/dbraw/zinc/22/86/96/458228696.db2.gz YHNSYRUSKMUICA-IRXDYDNUSA-N 2 1 347.503 3.219 20 0 EGADMP CCOc1ccccc1NC(=O)CC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000362508497 458228700 /nfs/dbraw/zinc/22/87/00/458228700.db2.gz YHNSYRUSKMUICA-IRXDYDNUSA-N 2 1 347.503 3.219 20 0 EGADMP CCOc1ccccc1NC(=O)CC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000362508497 458228709 /nfs/dbraw/zinc/22/87/09/458228709.db2.gz YHNSYRUSKMUICA-IRXDYDNUSA-N 2 1 347.503 3.219 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc3c(cccc3F)[nH]2)C[C@H](C)O1 ZINC000436244879 458275401 /nfs/dbraw/zinc/27/54/01/458275401.db2.gz SFABASQGIZHJBH-GASCZTMLSA-N 2 1 333.451 3.286 20 0 EGADMP Cc1cc(C)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(C)c1 ZINC000372330233 458279014 /nfs/dbraw/zinc/27/90/14/458279014.db2.gz FQPRYQYWXLEOEO-FPOVZHCZSA-N 2 1 329.532 3.070 20 0 EGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@H]3C3CC3)C2)cc1 ZINC000429414112 458330812 /nfs/dbraw/zinc/33/08/12/458330812.db2.gz XKTXDXOSLODKKG-QHAWAJNXSA-N 2 1 328.500 3.446 20 0 EGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@H]3C3CC3)C2)cc1 ZINC000429414112 458330813 /nfs/dbraw/zinc/33/08/13/458330813.db2.gz XKTXDXOSLODKKG-QHAWAJNXSA-N 2 1 328.500 3.446 20 0 EGADMP O[C@@H](C[NH2+][C@H](Cc1ccccc1F)c1ccccc1)C[NH+]1CCCC1 ZINC000429522321 458340193 /nfs/dbraw/zinc/34/01/93/458340193.db2.gz PDABIUHYDMCWFY-PZJWPPBQSA-N 2 1 342.458 3.156 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@H+](CCOc2ccc(Br)cc2)CC1 ZINC000429561431 458345274 /nfs/dbraw/zinc/34/52/74/458345274.db2.gz VYMAEMBNCRRYTB-HNNXBMFYSA-N 2 1 341.293 3.244 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCOc2ccc(Br)cc2)CC1 ZINC000429561431 458345277 /nfs/dbraw/zinc/34/52/77/458345277.db2.gz VYMAEMBNCRRYTB-HNNXBMFYSA-N 2 1 341.293 3.244 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H]1SC ZINC000459370934 458347980 /nfs/dbraw/zinc/34/79/80/458347980.db2.gz HVCFZHAZJFLELV-IGKNDFSCSA-N 2 1 328.566 3.243 20 0 EGADMP COCc1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)no1 ZINC000459431954 458368690 /nfs/dbraw/zinc/36/86/90/458368690.db2.gz GDOYSJLHUUNSGU-FUHWJXTLSA-N 2 1 343.471 3.211 20 0 EGADMP CCOc1c(C[NH2+]Cc2cnc3n2CCCC3)c(C)nn1CC(C)C ZINC000376727616 458377471 /nfs/dbraw/zinc/37/74/71/458377471.db2.gz FJNJAJLXSOTHQT-UHFFFAOYSA-N 2 1 345.491 3.069 20 0 EGADMP C[C@@H](CC[NH2+]Cc1ccccc1N1CCO[C@H](C)C1)[NH+]1CCCCC1 ZINC000459490701 458389607 /nfs/dbraw/zinc/38/96/07/458389607.db2.gz XDADKVGSXASGLA-RBUKOAKNSA-N 2 1 345.531 3.266 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459509006 458395692 /nfs/dbraw/zinc/39/56/92/458395692.db2.gz BAFINLFLYJBXSO-UHFFFAOYSA-N 2 1 325.456 3.146 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(C(F)(F)F)c1 ZINC000423491037 458442642 /nfs/dbraw/zinc/44/26/42/458442642.db2.gz IXXFVCYAYKPCGV-HZPDHXFCSA-N 2 1 330.394 3.371 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(SCC(F)(F)F)cc1 ZINC000423500899 458444767 /nfs/dbraw/zinc/44/47/67/458444767.db2.gz DFZKLPUQPVBXQI-JSGCOSHPSA-N 2 1 348.434 3.370 20 0 EGADMP C[C@@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423527327 458452836 /nfs/dbraw/zinc/45/28/36/458452836.db2.gz MHQNVTNMPNERQD-HGSOSGBHSA-N 2 1 349.522 3.242 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCC4=CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423537855 458455379 /nfs/dbraw/zinc/45/53/79/458455379.db2.gz LEJQSLCIROATBD-FDFHNCONSA-N 3 1 339.527 3.187 20 0 EGADMP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC(F)F ZINC000459722833 458456610 /nfs/dbraw/zinc/45/66/10/458456610.db2.gz CBNSBKMWICYYOF-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000430547638 458459977 /nfs/dbraw/zinc/45/99/77/458459977.db2.gz AAQOBYYNUBIWNS-HNNXBMFYSA-N 2 1 336.867 3.238 20 0 EGADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)[C@@H]1C[NH3+] ZINC000430555544 458460844 /nfs/dbraw/zinc/46/08/44/458460844.db2.gz SIRHYXDHHLVRGQ-DNVCBOLYSA-N 2 1 325.456 3.228 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc3ccccc32)[C@@H]1C[NH3+] ZINC000430555544 458460847 /nfs/dbraw/zinc/46/08/47/458460847.db2.gz SIRHYXDHHLVRGQ-DNVCBOLYSA-N 2 1 325.456 3.228 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000459741192 458464774 /nfs/dbraw/zinc/46/47/74/458464774.db2.gz VEVHEOPXSYNMNU-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000430576216 458465217 /nfs/dbraw/zinc/46/52/17/458465217.db2.gz RYPDAGDDJJJFKA-ARFHVFGLSA-N 2 1 337.533 3.105 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000430576216 458465223 /nfs/dbraw/zinc/46/52/23/458465223.db2.gz RYPDAGDDJJJFKA-ARFHVFGLSA-N 2 1 337.533 3.105 20 0 EGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000430575706 458465349 /nfs/dbraw/zinc/46/53/49/458465349.db2.gz RCPYZECVOYVVCE-OAHLLOKOSA-N 2 1 332.275 3.285 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430588316 458468107 /nfs/dbraw/zinc/46/81/07/458468107.db2.gz DCSGNQGTPTUCKG-UHFFFAOYSA-N 2 1 347.528 3.201 20 0 EGADMP C[C@@](C[NH3+])([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)C1CC1 ZINC000430590439 458468345 /nfs/dbraw/zinc/46/83/45/458468345.db2.gz KXWQRNYVBPPRPA-HNNXBMFYSA-N 2 1 330.259 3.039 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000423725522 458476362 /nfs/dbraw/zinc/47/63/62/458476362.db2.gz IQJQIANIVUUJCS-ZUVBDUPZSA-N 2 1 347.547 3.004 20 0 EGADMP CCO[C@@H]1CC[N@@H+](CC[C@H](C)[NH+]2CC[C@H](OCC)[C@@H](C)C2)C[C@H]1C ZINC000451541785 458481045 /nfs/dbraw/zinc/48/10/45/458481045.db2.gz MHPONCBTJJUDHM-CXQPBAHBSA-N 2 1 340.552 3.259 20 0 EGADMP CCO[C@@H]1CC[NH+](CC[C@H](C)[N@@H+]2CC[C@H](OCC)[C@@H](C)C2)C[C@H]1C ZINC000451541785 458481049 /nfs/dbraw/zinc/48/10/49/458481049.db2.gz MHPONCBTJJUDHM-CXQPBAHBSA-N 2 1 340.552 3.259 20 0 EGADMP CCO[C@@H]1CC[NH+](CC[C@H](C)[N@H+]2CC[C@H](OCC)[C@@H](C)C2)C[C@H]1C ZINC000451541785 458481054 /nfs/dbraw/zinc/48/10/54/458481054.db2.gz MHPONCBTJJUDHM-CXQPBAHBSA-N 2 1 340.552 3.259 20 0 EGADMP COC[C@H]1CCCC[NH+]1CCCCC[N@@H+]1CCCC[C@@H]1COC ZINC000452036851 458494057 /nfs/dbraw/zinc/49/40/57/458494057.db2.gz KMMUOGBDVZFAOE-RTBURBONSA-N 2 1 326.525 3.159 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000460139994 458502290 /nfs/dbraw/zinc/50/22/90/458502290.db2.gz QPLDETJVQUXHTQ-PKOBYXMFSA-N 2 1 348.535 3.017 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000430965878 458511452 /nfs/dbraw/zinc/51/14/52/458511452.db2.gz LQLZEJQJYVNDSE-SFHVURJKSA-N 2 1 328.431 3.446 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000430965878 458511455 /nfs/dbraw/zinc/51/14/55/458511455.db2.gz LQLZEJQJYVNDSE-SFHVURJKSA-N 2 1 328.431 3.446 20 0 EGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3([NH3+])CCCCC3)cc2)C1 ZINC000431013404 458516375 /nfs/dbraw/zinc/51/63/75/458516375.db2.gz FIVJRFXIURLIIU-MRXNPFEDSA-N 2 1 345.487 3.007 20 0 EGADMP CCC[N@@H+](CCCc1nc(-c2ccccc2)no1)C1CC[NH2+]CC1 ZINC000431095783 458528698 /nfs/dbraw/zinc/52/86/98/458528698.db2.gz HEQIZECVHRINEG-UHFFFAOYSA-N 2 1 328.460 3.133 20 0 EGADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000493737887 458550132 /nfs/dbraw/zinc/55/01/32/458550132.db2.gz SPVDAGSHVBOQLH-IKVWTGGYSA-N 2 1 341.543 3.215 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000493737887 458550136 /nfs/dbraw/zinc/55/01/36/458550136.db2.gz SPVDAGSHVBOQLH-IKVWTGGYSA-N 2 1 341.543 3.215 20 0 EGADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)[NH+](C)C ZINC000461214145 458551762 /nfs/dbraw/zinc/55/17/62/458551762.db2.gz RQERUNPQNFQPIQ-ZHALLVOQSA-N 2 1 348.535 3.014 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424145403 458570174 /nfs/dbraw/zinc/57/01/74/458570174.db2.gz NMFUNEXKBLYLES-OALUTQOASA-N 2 1 337.552 3.255 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc3OC2)[C@@H](C)C1 ZINC000493895501 458596067 /nfs/dbraw/zinc/59/60/67/458596067.db2.gz XMLQATNTQXCKQJ-IHPCNDPISA-N 2 1 346.515 3.107 20 0 EGADMP CCC[C@@H]1C[C@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000462169772 458600179 /nfs/dbraw/zinc/60/01/79/458600179.db2.gz HRRJVBVMOCHREJ-UYAOXDASSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424301959 458609475 /nfs/dbraw/zinc/60/94/75/458609475.db2.gz YMKIBBKEXFLYSM-CYBMUJFWSA-N 2 1 335.879 3.051 20 0 EGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000424368050 458626089 /nfs/dbraw/zinc/62/60/89/458626089.db2.gz ORXKINQBQNRSIH-VXGBXAGGSA-N 2 1 349.219 3.410 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1cn(C)nc1-c1cccs1)CC[NH2+]CC2 ZINC000424368962 458626844 /nfs/dbraw/zinc/62/68/44/458626844.db2.gz AXXAWCXAXKENFM-CQSZACIVSA-N 2 1 330.501 3.113 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000424429118 458641647 /nfs/dbraw/zinc/64/16/47/458641647.db2.gz WACYMSMNKHMOSI-SFHVURJKSA-N 2 1 332.492 3.086 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470790160 458652391 /nfs/dbraw/zinc/65/23/91/458652391.db2.gz QEUAUOOOACHWDT-KNQAVFIVSA-N 2 1 340.511 3.407 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470790160 458652396 /nfs/dbraw/zinc/65/23/96/458652396.db2.gz QEUAUOOOACHWDT-KNQAVFIVSA-N 2 1 340.511 3.407 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470790160 458652400 /nfs/dbraw/zinc/65/24/00/458652400.db2.gz QEUAUOOOACHWDT-KNQAVFIVSA-N 2 1 340.511 3.407 20 0 EGADMP C[C@H]1C[C@@H](Nc2cc[nH+]c3ccc(Br)cc23)CC[N@@H+]1C ZINC000462875063 458663950 /nfs/dbraw/zinc/66/39/50/458663950.db2.gz GCSYLTABHVPJOX-AAEUAGOBSA-N 2 1 334.261 3.314 20 0 EGADMP C[C@H]1C[C@@H](Nc2cc[nH+]c3ccc(Br)cc23)CC[N@H+]1C ZINC000462875063 458663955 /nfs/dbraw/zinc/66/39/55/458663955.db2.gz GCSYLTABHVPJOX-AAEUAGOBSA-N 2 1 334.261 3.314 20 0 EGADMP C[NH+](C)CCOc1ccc(NC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC000546723051 458666435 /nfs/dbraw/zinc/66/64/35/458666435.db2.gz SOUSWYVLLWIVII-UHFFFAOYSA-N 2 1 347.503 3.220 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000503865968 458726696 /nfs/dbraw/zinc/72/66/96/458726696.db2.gz YGJWBRBGVANDTI-HOJAQTOUSA-N 2 1 345.531 3.180 20 0 EGADMP CC(C)[NH+](CCN(C)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)C(C)C ZINC000503989581 458735868 /nfs/dbraw/zinc/73/58/68/458735868.db2.gz VVAQXQILEFAISP-MSOLQXFVSA-N 2 1 340.556 3.010 20 0 EGADMP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH+]cnc2[nH]ccc21 ZINC000439687610 458739624 /nfs/dbraw/zinc/73/96/24/458739624.db2.gz XXJRKARISMQRDN-QGZVFWFLSA-N 2 1 335.455 3.306 20 0 EGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH+]cnc2[nH]ccc21 ZINC000439687610 458739630 /nfs/dbraw/zinc/73/96/30/458739630.db2.gz XXJRKARISMQRDN-QGZVFWFLSA-N 2 1 335.455 3.306 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432797506 458788089 /nfs/dbraw/zinc/78/80/89/458788089.db2.gz FFSXEAINPQJHFE-HXUWFJFHSA-N 2 1 340.515 3.464 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432797506 458788092 /nfs/dbraw/zinc/78/80/92/458788092.db2.gz FFSXEAINPQJHFE-HXUWFJFHSA-N 2 1 340.515 3.464 20 0 EGADMP CSc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000472446263 458795477 /nfs/dbraw/zinc/79/54/77/458795477.db2.gz JDLJSWDJEAPLJD-KRWDZBQOSA-N 2 1 334.529 3.451 20 0 EGADMP CSc1ccc(OCC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000472446263 458795482 /nfs/dbraw/zinc/79/54/82/458795482.db2.gz JDLJSWDJEAPLJD-KRWDZBQOSA-N 2 1 334.529 3.451 20 0 EGADMP CSc1ccc(OCC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000472446263 458795488 /nfs/dbraw/zinc/79/54/88/458795488.db2.gz JDLJSWDJEAPLJD-KRWDZBQOSA-N 2 1 334.529 3.451 20 0 EGADMP CSc1ccc(OCC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000472446263 458795492 /nfs/dbraw/zinc/79/54/92/458795492.db2.gz JDLJSWDJEAPLJD-KRWDZBQOSA-N 2 1 334.529 3.451 20 0 EGADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440273343 458800059 /nfs/dbraw/zinc/80/00/59/458800059.db2.gz XPGIANPFFBEKCW-FQEVSTJZSA-N 2 1 347.547 3.307 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000495605591 458896242 /nfs/dbraw/zinc/89/62/42/458896242.db2.gz WDWKIMPTHKEOEA-ROUUACIJSA-N 2 1 347.503 3.360 20 0 EGADMP CC[NH+]1CCC([NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000495680511 458918476 /nfs/dbraw/zinc/91/84/76/458918476.db2.gz VKMFNWNOJWBTKM-UHFFFAOYSA-N 2 1 339.524 3.144 20 0 EGADMP Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1C ZINC000441344377 458923554 /nfs/dbraw/zinc/92/35/54/458923554.db2.gz FAKNMAVKNDHVLD-PMACEKPBSA-N 2 1 348.531 3.158 20 0 EGADMP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1C ZINC000441344377 458923559 /nfs/dbraw/zinc/92/35/59/458923559.db2.gz FAKNMAVKNDHVLD-PMACEKPBSA-N 2 1 348.531 3.158 20 0 EGADMP Cc1ccc(C)c(OC[C@@H](O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1C ZINC000441344377 458923564 /nfs/dbraw/zinc/92/35/64/458923564.db2.gz FAKNMAVKNDHVLD-PMACEKPBSA-N 2 1 348.531 3.158 20 0 EGADMP Cc1ccc(C)c(OC[C@@H](O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1C ZINC000441344377 458923568 /nfs/dbraw/zinc/92/35/68/458923568.db2.gz FAKNMAVKNDHVLD-PMACEKPBSA-N 2 1 348.531 3.158 20 0 EGADMP C[C@H](CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000519304103 458932432 /nfs/dbraw/zinc/93/24/32/458932432.db2.gz HCUITHXHZUFILR-DENIHFKCSA-N 2 1 338.495 3.407 20 0 EGADMP C[C@H](CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000519304103 458932438 /nfs/dbraw/zinc/93/24/38/458932438.db2.gz HCUITHXHZUFILR-DENIHFKCSA-N 2 1 338.495 3.407 20 0 EGADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000556247236 458942252 /nfs/dbraw/zinc/94/22/52/458942252.db2.gz SNUUEOQHXYVLNZ-WMZOPIPTSA-N 2 1 325.456 3.263 20 0 EGADMP OC[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000577028146 458965675 /nfs/dbraw/zinc/96/56/75/458965675.db2.gz DUUPJOBBCCMHEC-FNAHDJPLSA-N 2 1 342.527 3.285 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)[C@H](C)C1 ZINC000495908371 459001406 /nfs/dbraw/zinc/00/14/06/459001406.db2.gz BEABWWPCOLXSAT-TWMKSMIVSA-N 2 1 339.524 3.094 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC=C(C)CC2)CC1 ZINC000556816877 459015240 /nfs/dbraw/zinc/01/52/40/459015240.db2.gz ZOJIRGFQQNVEKB-OAQYLSRUSA-N 2 1 327.516 3.413 20 0 EGADMP CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476975111 459024668 /nfs/dbraw/zinc/02/46/68/459024668.db2.gz QVBBMOHOJRRDOM-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442763208 459033023 /nfs/dbraw/zinc/03/30/23/459033023.db2.gz AVNPJMCEJVRLSH-IKGGRYGDSA-N 2 1 337.467 3.350 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442763208 459033025 /nfs/dbraw/zinc/03/30/25/459033025.db2.gz AVNPJMCEJVRLSH-IKGGRYGDSA-N 2 1 337.467 3.350 20 0 EGADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000442868410 459046801 /nfs/dbraw/zinc/04/68/01/459046801.db2.gz CEQVQKGQYXJGNA-PMACEKPBSA-N 2 1 329.532 3.247 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)C(C)(C)C2)cc1 ZINC000577529070 459048102 /nfs/dbraw/zinc/04/81/02/459048102.db2.gz OFFARPRKXNEZLS-UHFFFAOYSA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000577529070 459048109 /nfs/dbraw/zinc/04/81/09/459048109.db2.gz OFFARPRKXNEZLS-UHFFFAOYSA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000577529070 459048117 /nfs/dbraw/zinc/04/81/17/459048117.db2.gz OFFARPRKXNEZLS-UHFFFAOYSA-N 2 1 331.504 3.085 20 0 EGADMP CC[C@H]([NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1)C1CCOCC1 ZINC000532231282 459050816 /nfs/dbraw/zinc/05/08/16/459050816.db2.gz XTBKNOXYKZQFNI-IBGZPJMESA-N 2 1 338.536 3.205 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc4ccccc4o3)C2)CC1 ZINC000532268139 459057691 /nfs/dbraw/zinc/05/76/91/459057691.db2.gz RBJGPOIDQFVLKZ-GOSISDBHSA-N 2 1 327.472 3.033 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000442917165 459059851 /nfs/dbraw/zinc/05/98/51/459059851.db2.gz CKRILUYGZKNDFZ-HNNXBMFYSA-N 2 1 331.485 3.283 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000442917165 459059852 /nfs/dbraw/zinc/05/98/52/459059852.db2.gz CKRILUYGZKNDFZ-HNNXBMFYSA-N 2 1 331.485 3.283 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443061067 459080468 /nfs/dbraw/zinc/08/04/68/459080468.db2.gz QUXMBZZWVJEOJK-LNLFQRSKSA-N 2 1 331.504 3.093 20 0 EGADMP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443062297 459081686 /nfs/dbraw/zinc/08/16/86/459081686.db2.gz UILJKGMJFZRIKA-RYUDHWBXSA-N 2 1 344.286 3.381 20 0 EGADMP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443062297 459081694 /nfs/dbraw/zinc/08/16/94/459081694.db2.gz UILJKGMJFZRIKA-RYUDHWBXSA-N 2 1 344.286 3.381 20 0 EGADMP CCOc1cc2c(cc1CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C)O[C@H](C)C2 ZINC000532454883 459091831 /nfs/dbraw/zinc/09/18/31/459091831.db2.gz SSWCVMJMJXIBKR-HDMKZQKVSA-N 2 1 332.488 3.229 20 0 EGADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C1CCOCC1 ZINC000532464991 459093132 /nfs/dbraw/zinc/09/31/32/459093132.db2.gz CLHYTTOFGMYFKV-UWJYYQICSA-N 2 1 346.515 3.202 20 0 EGADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C1CCOCC1 ZINC000532464991 459093137 /nfs/dbraw/zinc/09/31/37/459093137.db2.gz CLHYTTOFGMYFKV-UWJYYQICSA-N 2 1 346.515 3.202 20 0 EGADMP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)C(C)C ZINC000594583423 459097471 /nfs/dbraw/zinc/09/74/71/459097471.db2.gz LXVUKDXSOZBXEM-FHWLQOOXSA-N 2 1 332.488 3.436 20 0 EGADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c2ccccc21 ZINC000567673680 459142678 /nfs/dbraw/zinc/14/26/78/459142678.db2.gz ADEFGMXEQUZJNR-ZWKOTPCHSA-N 2 1 339.487 3.246 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000479524308 459144304 /nfs/dbraw/zinc/14/43/04/459144304.db2.gz HAALOGXQMSGGSE-BBRMVZONSA-N 2 1 330.394 3.100 20 0 EGADMP C[C@H]([N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)(C)C ZINC000532928067 459161333 /nfs/dbraw/zinc/16/13/33/459161333.db2.gz FYOFRGPDYWPOEU-KRWDZBQOSA-N 2 1 345.531 3.265 20 0 EGADMP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)N1CCCC1 ZINC000480539571 459204035 /nfs/dbraw/zinc/20/40/35/459204035.db2.gz VRXKTIBTAPIQKL-RXVVDRJESA-N 2 1 347.547 3.398 20 0 EGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000480725607 459216033 /nfs/dbraw/zinc/21/60/33/459216033.db2.gz YWQDGEBGDSYKOY-FCGDIQPGSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480725607 459216036 /nfs/dbraw/zinc/21/60/36/459216036.db2.gz YWQDGEBGDSYKOY-FCGDIQPGSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480725607 459216041 /nfs/dbraw/zinc/21/60/41/459216041.db2.gz YWQDGEBGDSYKOY-FCGDIQPGSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590787102 459218243 /nfs/dbraw/zinc/21/82/43/459218243.db2.gz XBZZRQWUKJYSFP-IEBWSBKVSA-N 2 1 337.552 3.218 20 0 EGADMP Cc1ccc(OC[C@H](O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)c1 ZINC000590786874 459218478 /nfs/dbraw/zinc/21/84/78/459218478.db2.gz FHIQTQQLKXFPCW-HXUWFJFHSA-N 2 1 348.531 3.095 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000480909844 459223497 /nfs/dbraw/zinc/22/34/97/459223497.db2.gz HIVNKMIUNQHBLN-VQTJNVASSA-N 2 1 345.531 3.106 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595063740 459232763 /nfs/dbraw/zinc/23/27/63/459232763.db2.gz XPBSTCDWDKBUHN-VHVKOTLLSA-N 2 1 348.556 3.176 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595063740 459232767 /nfs/dbraw/zinc/23/27/67/459232767.db2.gz XPBSTCDWDKBUHN-VHVKOTLLSA-N 2 1 348.556 3.176 20 0 EGADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCC1CCCCC1 ZINC000522546541 459248471 /nfs/dbraw/zinc/24/84/71/459248471.db2.gz SEZRGHJGWAOXGB-WBVHZDCISA-N 2 1 325.541 3.027 20 0 EGADMP Cc1cc(Br)cc(C)c1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000481709843 459270556 /nfs/dbraw/zinc/27/05/56/459270556.db2.gz ASHQYPAVRHKXLZ-BBRMVZONSA-N 2 1 325.294 3.496 20 0 EGADMP C[C@H](Cc1c[nH]cn1)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000568412235 459284869 /nfs/dbraw/zinc/28/48/69/459284869.db2.gz OTJWSVGRJYIIMV-SJORKVTESA-N 2 1 346.519 3.091 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000568412235 459284874 /nfs/dbraw/zinc/28/48/74/459284874.db2.gz OTJWSVGRJYIIMV-SJORKVTESA-N 2 1 346.519 3.091 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000568412235 459284880 /nfs/dbraw/zinc/28/48/80/459284880.db2.gz OTJWSVGRJYIIMV-SJORKVTESA-N 2 1 346.519 3.091 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000496721274 459299349 /nfs/dbraw/zinc/29/93/49/459299349.db2.gz PEUUMRWGADTUJA-CVEARBPZSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC000496752568 459311548 /nfs/dbraw/zinc/31/15/48/459311548.db2.gz LGDCBZXBBURLDV-MSOLQXFVSA-N 2 1 347.503 3.326 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC000496752568 459311553 /nfs/dbraw/zinc/31/15/53/459311553.db2.gz LGDCBZXBBURLDV-MSOLQXFVSA-N 2 1 347.503 3.326 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000482999616 459334644 /nfs/dbraw/zinc/33/46/44/459334644.db2.gz MNOYVOABYONNKW-KRWDZBQOSA-N 2 1 340.556 3.061 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000524156074 459348498 /nfs/dbraw/zinc/34/84/98/459348498.db2.gz HBYRVQLFWTVANI-UHFFFAOYSA-N 2 1 335.467 3.207 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000560586844 459377335 /nfs/dbraw/zinc/37/73/35/459377335.db2.gz VZGGARGCUXDRIT-YJBOKZPZSA-N 2 1 334.504 3.407 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000560586844 459377338 /nfs/dbraw/zinc/37/73/38/459377338.db2.gz VZGGARGCUXDRIT-YJBOKZPZSA-N 2 1 334.504 3.407 20 0 EGADMP CCc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000524947819 459406525 /nfs/dbraw/zinc/40/65/25/459406525.db2.gz JPBUEWHADDBOLP-LJQANCHMSA-N 2 1 330.497 3.037 20 0 EGADMP CCc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000524947819 459406529 /nfs/dbraw/zinc/40/65/29/459406529.db2.gz JPBUEWHADDBOLP-LJQANCHMSA-N 2 1 330.497 3.037 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000569460258 459455985 /nfs/dbraw/zinc/45/59/85/459455985.db2.gz FQVBSRSCFFTMJJ-FQEVSTJZSA-N 2 1 337.467 3.399 20 0 EGADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541904559 459508660 /nfs/dbraw/zinc/50/86/60/459508660.db2.gz ROLGYZFQQDINPX-RYFAJOAYSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CC[NH+](CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541904559 459508665 /nfs/dbraw/zinc/50/86/65/459508665.db2.gz ROLGYZFQQDINPX-RYFAJOAYSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CC[NH+](CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541904559 459508671 /nfs/dbraw/zinc/50/86/71/459508671.db2.gz ROLGYZFQQDINPX-RYFAJOAYSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541904559 459508677 /nfs/dbraw/zinc/50/86/77/459508677.db2.gz ROLGYZFQQDINPX-RYFAJOAYSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541904559 459508682 /nfs/dbraw/zinc/50/86/82/459508682.db2.gz ROLGYZFQQDINPX-RYFAJOAYSA-N 2 1 341.543 3.219 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2CCC2CCCC2)CC1 ZINC000486810462 459523553 /nfs/dbraw/zinc/52/35/53/459523553.db2.gz QZKLOUKLVOEFPC-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2CCC2CCCCC2)CC1 ZINC000486802239 459524011 /nfs/dbraw/zinc/52/40/11/459524011.db2.gz WGYYTZQUDMWKED-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000497867569 459561899 /nfs/dbraw/zinc/56/18/99/459561899.db2.gz KQJHDRIQHPILCN-BBWFWOEESA-N 2 1 326.525 3.454 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000498011436 459565115 /nfs/dbraw/zinc/56/51/15/459565115.db2.gz OTUCQYSCSRTLTN-FHWLQOOXSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H](O)C[C@@H]1CCCC[NH+]1CCCC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000562502980 459574462 /nfs/dbraw/zinc/57/44/62/459574462.db2.gz RUDMEVARRHQRNU-MUGJNUQGSA-N 2 1 340.552 3.017 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000562615787 459603344 /nfs/dbraw/zinc/60/33/44/459603344.db2.gz SQBGCCLFPNMUIA-ZSYWTGECSA-N 2 1 332.536 3.404 20 0 EGADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CCc2c[nH+]cn2C)cc1F ZINC000573055890 459616737 /nfs/dbraw/zinc/61/67/37/459616737.db2.gz XMLGWXLFNUYWBJ-FUHWJXTLSA-N 2 1 331.435 3.426 20 0 EGADMP Fc1ccccc1COc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000573206806 459642583 /nfs/dbraw/zinc/64/25/83/459642583.db2.gz OOWOIJCUTYSDMH-IEBWSBKVSA-N 2 1 340.442 3.446 20 0 EGADMP Fc1ccccc1COc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000573206806 459642589 /nfs/dbraw/zinc/64/25/89/459642589.db2.gz OOWOIJCUTYSDMH-IEBWSBKVSA-N 2 1 340.442 3.446 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000584108314 459657331 /nfs/dbraw/zinc/65/73/31/459657331.db2.gz YAYQDDIUHMQMIY-CQSZACIVSA-N 2 1 327.476 3.246 20 0 EGADMP CC(C)(C)[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1cccs1 ZINC000563152563 459724465 /nfs/dbraw/zinc/72/44/65/459724465.db2.gz NVGGNWKVPXECCZ-JTOWHCCKSA-N 2 1 349.544 3.011 20 0 EGADMP CC(C)(C)[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1cccs1 ZINC000563152563 459724469 /nfs/dbraw/zinc/72/44/69/459724469.db2.gz NVGGNWKVPXECCZ-JTOWHCCKSA-N 2 1 349.544 3.011 20 0 EGADMP CCc1cccc(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)c1 ZINC000584649169 459778687 /nfs/dbraw/zinc/77/86/87/459778687.db2.gz BPULJFGKSCMNJX-YOFSQIOKSA-N 2 1 346.515 3.201 20 0 EGADMP CCc1cccc(OCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)c1 ZINC000584649169 459778693 /nfs/dbraw/zinc/77/86/93/459778693.db2.gz BPULJFGKSCMNJX-YOFSQIOKSA-N 2 1 346.515 3.201 20 0 EGADMP CCc1cccc(OCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)c1 ZINC000584649169 459778702 /nfs/dbraw/zinc/77/87/02/459778702.db2.gz BPULJFGKSCMNJX-YOFSQIOKSA-N 2 1 346.515 3.201 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000574529579 459830756 /nfs/dbraw/zinc/83/07/56/459830756.db2.gz FZPRDIRNFIDLQV-UHFFFAOYSA-N 2 1 337.471 3.307 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000574529579 459830759 /nfs/dbraw/zinc/83/07/59/459830759.db2.gz FZPRDIRNFIDLQV-UHFFFAOYSA-N 2 1 337.471 3.307 20 0 EGADMP CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000597149664 459850996 /nfs/dbraw/zinc/85/09/96/459850996.db2.gz GXQVSQWXQVYSDE-HNNXBMFYSA-N 2 1 333.476 3.163 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(C)c3F)CC2)CC1 ZINC000574769523 459869524 /nfs/dbraw/zinc/86/95/24/459869524.db2.gz YQYKLMIPARERJY-UHFFFAOYSA-N 2 1 347.478 3.269 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccccc3-c3ccccc3)C[C@@H]21 ZINC000575059756 459919200 /nfs/dbraw/zinc/91/92/00/459919200.db2.gz IVMQCDVILOTIDL-YZGWKJHDSA-N 2 1 349.478 3.351 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3-c3ccccc3)C[C@@H]21 ZINC000575059756 459919209 /nfs/dbraw/zinc/91/92/09/459919209.db2.gz IVMQCDVILOTIDL-YZGWKJHDSA-N 2 1 349.478 3.351 20 0 EGADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602558138 459996141 /nfs/dbraw/zinc/99/61/41/459996141.db2.gz QXHPUNBBQWYLED-RGIVZKHGSA-N 2 1 334.529 3.057 20 0 EGADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602558138 459996144 /nfs/dbraw/zinc/99/61/44/459996144.db2.gz QXHPUNBBQWYLED-RGIVZKHGSA-N 2 1 334.529 3.057 20 0 EGADMP c1cnc(Oc2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)cn1 ZINC000575850678 460017033 /nfs/dbraw/zinc/01/70/33/460017033.db2.gz NSMWUNCMNXDDCX-PKOBYXMFSA-N 2 1 338.455 3.233 20 0 EGADMP CCn1cc(CC[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000621775544 460058852 /nfs/dbraw/zinc/05/88/52/460058852.db2.gz RFBYMTFPTSTPQN-RTWAWAEBSA-N 2 1 340.515 3.118 20 0 EGADMP CC[C@@H](CC1CCCC1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000576612415 460179090 /nfs/dbraw/zinc/17/90/90/460179090.db2.gz PHGWSZZTIQXRAQ-KRWDZBQOSA-N 2 1 344.503 3.378 20 0 EGADMP COC(=O)CCCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000599282078 460217256 /nfs/dbraw/zinc/21/72/56/460217256.db2.gz NCXCVSAKRQHNLB-UHFFFAOYSA-N 2 1 332.488 3.174 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)C1(F)F ZINC000625654203 460230633 /nfs/dbraw/zinc/23/06/33/460230633.db2.gz RIRPRLRFELXXGJ-IYBDPMFKSA-N 2 1 338.442 3.242 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)C1(F)F ZINC000625654203 460230638 /nfs/dbraw/zinc/23/06/38/460230638.db2.gz RIRPRLRFELXXGJ-IYBDPMFKSA-N 2 1 338.442 3.242 20 0 EGADMP C[C@@H]1C[C@@H]1C[N@@H+](CCCC[NH+](C)[C@@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000625932514 460307847 /nfs/dbraw/zinc/30/78/47/460307847.db2.gz AMUWRAAKTLKYNQ-UAFMIMERSA-N 2 1 338.536 3.014 20 0 EGADMP C[C@@H]1C[C@@H]1C[NH+](CCCC[N@H+](C)[C@@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000625932514 460307852 /nfs/dbraw/zinc/30/78/52/460307852.db2.gz AMUWRAAKTLKYNQ-UAFMIMERSA-N 2 1 338.536 3.014 20 0 EGADMP C[C@@H]1C[C@@H]1C[NH+](CCCC[N@@H+](C)[C@@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000625932514 460307854 /nfs/dbraw/zinc/30/78/54/460307854.db2.gz AMUWRAAKTLKYNQ-UAFMIMERSA-N 2 1 338.536 3.014 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)NC(C)(C)CC ZINC000626062054 460358325 /nfs/dbraw/zinc/35/83/25/460358325.db2.gz DTSDHGDKIUSQKL-INIZCTEOSA-N 2 1 333.520 3.263 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000626063816 460359897 /nfs/dbraw/zinc/35/98/97/460359897.db2.gz RDLZANLIKYPTFO-XUVXKRRUSA-N 2 1 343.515 3.017 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-c3c[nH]cn3)cc2)C[C@H]1C ZINC000631442026 460381433 /nfs/dbraw/zinc/38/14/33/460381433.db2.gz UPMZECLTNLJYDB-RHSMWYFYSA-N 2 1 326.444 3.022 20 0 EGADMP CC(C)Cc1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604389173 460417573 /nfs/dbraw/zinc/41/75/73/460417573.db2.gz GTUSXKZRGZGZQT-NRFANRHFSA-N 2 1 329.532 3.097 20 0 EGADMP CC(C)Cc1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604389173 460417579 /nfs/dbraw/zinc/41/75/79/460417579.db2.gz GTUSXKZRGZGZQT-NRFANRHFSA-N 2 1 329.532 3.097 20 0 EGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H]2CCCc3ncccc32)c1 ZINC000631587540 460459891 /nfs/dbraw/zinc/45/98/91/460459891.db2.gz SYUXYTCEZKVNKB-NRFANRHFSA-N 2 1 337.467 3.081 20 0 EGADMP O[C@@]1(C[NH2+]C[C@@H]2CCCCC2(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000634715610 460490007 /nfs/dbraw/zinc/49/00/07/460490007.db2.gz GTHJBBLDUQZRFA-ZWKOTPCHSA-N 2 1 338.442 3.039 20 0 EGADMP O[C@@]1(C[NH2+]C[C@@H]2CCCCC2(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715610 460490016 /nfs/dbraw/zinc/49/00/16/460490016.db2.gz GTHJBBLDUQZRFA-ZWKOTPCHSA-N 2 1 338.442 3.039 20 0 EGADMP Cc1ccc(F)c(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000604891737 460495892 /nfs/dbraw/zinc/49/58/92/460495892.db2.gz KXEMEYRWFKGMGV-GOSISDBHSA-N 2 1 347.503 3.274 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(Cl)c1OC ZINC000634732713 460497584 /nfs/dbraw/zinc/49/75/84/460497584.db2.gz MRDZKFGQVHGPJA-ZDUSSCGKSA-N 2 1 326.868 3.225 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)[C@@H](C)C1 ZINC000631668122 460502079 /nfs/dbraw/zinc/50/20/79/460502079.db2.gz VSQCDXCZFZPECP-JYRKZWEQSA-N 2 1 329.532 3.074 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[C@@H](C)C1 ZINC000631668122 460502085 /nfs/dbraw/zinc/50/20/85/460502085.db2.gz VSQCDXCZFZPECP-JYRKZWEQSA-N 2 1 329.532 3.074 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[C@@H](C)C1 ZINC000631668122 460502092 /nfs/dbraw/zinc/50/20/92/460502092.db2.gz VSQCDXCZFZPECP-JYRKZWEQSA-N 2 1 329.532 3.074 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)[C@@H](C)C1 ZINC000631668122 460502096 /nfs/dbraw/zinc/50/20/96/460502096.db2.gz VSQCDXCZFZPECP-JYRKZWEQSA-N 3 1 329.532 3.074 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)[C@@H](C)C1 ZINC000631668122 460502104 /nfs/dbraw/zinc/50/21/04/460502104.db2.gz VSQCDXCZFZPECP-JYRKZWEQSA-N 3 1 329.532 3.074 20 0 EGADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[C@@H](C)C1 ZINC000631668122 460502110 /nfs/dbraw/zinc/50/21/10/460502110.db2.gz VSQCDXCZFZPECP-JYRKZWEQSA-N 3 1 329.532 3.074 20 0 EGADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[C@@H](C)C1 ZINC000631668122 460502117 /nfs/dbraw/zinc/50/21/17/460502117.db2.gz VSQCDXCZFZPECP-JYRKZWEQSA-N 3 1 329.532 3.074 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC000623358287 460508583 /nfs/dbraw/zinc/50/85/83/460508583.db2.gz XUAOXLMBWGGWEN-INIZCTEOSA-N 2 1 345.466 3.151 20 0 EGADMP Brc1ccc(S[C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000629546346 460802243 /nfs/dbraw/zinc/80/22/43/460802243.db2.gz CJUNNNLHAYHTSC-IUODEOHRSA-N 2 1 341.318 3.225 20 0 EGADMP O=C([C@@H]1CC[N@H+]1C1CCCC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000635486251 460804754 /nfs/dbraw/zinc/80/47/54/460804754.db2.gz FPBHCLYLCIMMRP-FQEVSTJZSA-N 2 1 347.547 3.118 20 0 EGADMP CSc1ccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629561626 460808616 /nfs/dbraw/zinc/80/86/16/460808616.db2.gz JUAWZDICYIUQPC-SWLSCSKDSA-N 2 1 348.434 3.246 20 0 EGADMP CSc1ccc(OCC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629561626 460808618 /nfs/dbraw/zinc/80/86/18/460808618.db2.gz JUAWZDICYIUQPC-SWLSCSKDSA-N 2 1 348.434 3.246 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(OC(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000629563502 460811502 /nfs/dbraw/zinc/81/15/02/460811502.db2.gz RCABEDYARHMUIQ-AAEUAGOBSA-N 2 1 338.320 3.247 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000629563502 460811505 /nfs/dbraw/zinc/81/15/05/460811505.db2.gz RCABEDYARHMUIQ-AAEUAGOBSA-N 2 1 338.320 3.247 20 0 EGADMP C[C@H]([NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC000635563558 460833450 /nfs/dbraw/zinc/83/34/50/460833450.db2.gz YTQWFGJOSLDJAV-ZWKOTPCHSA-N 2 1 343.515 3.108 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCCc2ccc3c(c2)CCO3)CC[C@H]1C(F)(F)F ZINC000629656384 460850307 /nfs/dbraw/zinc/85/03/07/460850307.db2.gz NYPZQNGLRUBYRH-JKSUJKDBSA-N 2 1 342.405 3.013 20 0 EGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)c1 ZINC000624120191 460868864 /nfs/dbraw/zinc/86/88/64/460868864.db2.gz UGDKPXPLLCQXHA-QZTJIDSGSA-N 2 1 331.504 3.342 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000624121457 460870781 /nfs/dbraw/zinc/87/07/81/460870781.db2.gz XBBROBIUNIFHKV-CVEARBPZSA-N 2 1 344.503 3.353 20 0 EGADMP C[NH+]1CCN(Cc2ccccc2-c2cccc([C@H]3CC[NH2+]C3)c2)CC1 ZINC000629735378 460896422 /nfs/dbraw/zinc/89/64/22/460896422.db2.gz UIVUVZRZUQDXJF-FQEVSTJZSA-N 2 1 335.495 3.178 20 0 EGADMP C[N@@H+](CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CCC1 ZINC000629950986 460970118 /nfs/dbraw/zinc/97/01/18/460970118.db2.gz JWSXTEXGLLJSNA-UHFFFAOYSA-N 2 1 329.488 3.138 20 0 EGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCCC[NH+](C)C ZINC000608482958 461072095 /nfs/dbraw/zinc/07/20/95/461072095.db2.gz XGYPEHMQZBPLAQ-HXUWFJFHSA-N 2 1 345.531 3.089 20 0 EGADMP Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000646196920 461127356 /nfs/dbraw/zinc/12/73/56/461127356.db2.gz CZIQNZJJHZMVPV-IBGZPJMESA-N 2 1 335.923 3.249 20 0 EGADMP Cc1cccc(C)c1OCCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348984 461142389 /nfs/dbraw/zinc/14/23/89/461142389.db2.gz XXJMVRNHRSBRRY-ZCNNSNEGSA-N 2 1 346.515 3.291 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ncc(Cl)cc3Cl)C2)C1 ZINC000652349564 461144723 /nfs/dbraw/zinc/14/47/23/461144723.db2.gz SRPKXEGPHGNICQ-GHJWDPDVSA-N 2 1 344.286 3.107 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ncc(Cl)cc3Cl)C2)C1 ZINC000652349564 461144729 /nfs/dbraw/zinc/14/47/29/461144729.db2.gz SRPKXEGPHGNICQ-GHJWDPDVSA-N 2 1 344.286 3.107 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c2ccccc2n1 ZINC000652349584 461145616 /nfs/dbraw/zinc/14/56/16/461145616.db2.gz UNUJPRBJOCETFV-CDXJDZJCSA-N 2 1 339.483 3.262 20 0 EGADMP CCC[C@@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000652351472 461148022 /nfs/dbraw/zinc/14/80/22/461148022.db2.gz YVHYVLVMLBRJER-ROPHOZQPSA-N 2 1 343.515 3.093 20 0 EGADMP CCC[C@@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000652351472 461148028 /nfs/dbraw/zinc/14/80/28/461148028.db2.gz YVHYVLVMLBRJER-ROPHOZQPSA-N 2 1 343.515 3.093 20 0 EGADMP C[C@H]1CCC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)[C@@H]1CC[NH3+] ZINC000652355366 461149225 /nfs/dbraw/zinc/14/92/25/461149225.db2.gz WNQKBYYJHHWYOQ-OXJNMPFZSA-N 2 1 338.499 3.310 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)[C@@H]1CC[NH3+] ZINC000652355366 461149235 /nfs/dbraw/zinc/14/92/35/461149235.db2.gz WNQKBYYJHHWYOQ-OXJNMPFZSA-N 2 1 338.499 3.310 20 0 EGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652353848 461149697 /nfs/dbraw/zinc/14/96/97/461149697.db2.gz FLODIMFGALTCNB-USXIJHARSA-N 2 1 349.544 3.033 20 0 EGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652353848 461149703 /nfs/dbraw/zinc/14/97/03/461149703.db2.gz FLODIMFGALTCNB-USXIJHARSA-N 2 1 349.544 3.033 20 0 EGADMP COc1cccc(SCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000662272925 461160014 /nfs/dbraw/zinc/16/00/14/461160014.db2.gz IJAYXMYGEILLFY-DLBZAZTESA-N 2 1 334.529 3.499 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290273 461168590 /nfs/dbraw/zinc/16/85/90/461168590.db2.gz OOVKSMACRNFWBB-INIZCTEOSA-N 2 1 349.906 3.299 20 0 EGADMP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313062 461184163 /nfs/dbraw/zinc/18/41/63/461184163.db2.gz HLBQHXRACQKPNC-UYAOXDASSA-N 2 1 345.531 3.263 20 0 EGADMP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)c3cnc(C)nc3C)C2)[nH+]1 ZINC000638006934 461190511 /nfs/dbraw/zinc/19/05/11/461190511.db2.gz MTWQEYNGOYZRPN-DOTOQJQBSA-N 2 1 325.460 3.292 20 0 EGADMP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)c3cnc(C)nc3C)C2)[nH+]1 ZINC000638006934 461190517 /nfs/dbraw/zinc/19/05/17/461190517.db2.gz MTWQEYNGOYZRPN-DOTOQJQBSA-N 2 1 325.460 3.292 20 0 EGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[C@@H](C[NH3+])CC(C)C)CC1 ZINC000662381877 461222987 /nfs/dbraw/zinc/22/29/87/461222987.db2.gz IOKGSSXYWOEFPZ-IBGZPJMESA-N 2 1 345.531 3.040 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](NC)c1cccc(Cl)c1Cl ZINC000662439871 461241891 /nfs/dbraw/zinc/24/18/91/461241891.db2.gz QNSLMKOXCSIYAJ-NHYWBVRUSA-N 2 1 346.302 3.100 20 0 EGADMP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662439871 461241896 /nfs/dbraw/zinc/24/18/96/461241896.db2.gz QNSLMKOXCSIYAJ-NHYWBVRUSA-N 2 1 346.302 3.100 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662439871 461241902 /nfs/dbraw/zinc/24/19/02/461241902.db2.gz QNSLMKOXCSIYAJ-NHYWBVRUSA-N 2 1 346.302 3.100 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)[C@H]2CCc3cc(OC)c(OC)cc32)[C@@H](C)C1 ZINC000638114402 461251253 /nfs/dbraw/zinc/25/12/53/461251253.db2.gz IVGBSDGJVSMACG-WBAXXEDZSA-N 2 1 332.488 3.353 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)[C@H]2CCc3cc(OC)c(OC)cc32)[C@@H](C)C1 ZINC000638114402 461251257 /nfs/dbraw/zinc/25/12/57/461251257.db2.gz IVGBSDGJVSMACG-WBAXXEDZSA-N 2 1 332.488 3.353 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)[C@H]2CCc3cc(OC)c(OC)cc32)[C@@H](C)C1 ZINC000638114402 461251264 /nfs/dbraw/zinc/25/12/64/461251264.db2.gz IVGBSDGJVSMACG-WBAXXEDZSA-N 2 1 332.488 3.353 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)[C@H]2CCc3cc(OC)c(OC)cc32)[C@@H](C)C1 ZINC000638114402 461251271 /nfs/dbraw/zinc/25/12/71/461251271.db2.gz IVGBSDGJVSMACG-WBAXXEDZSA-N 2 1 332.488 3.353 20 0 EGADMP C[C@@H]1CCN(C(=O)c2cccc3c2C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000662482945 461262140 /nfs/dbraw/zinc/26/21/40/461262140.db2.gz QNRSCLBTJBVALQ-QGZVFWFLSA-N 2 1 349.478 3.026 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000662526732 461281297 /nfs/dbraw/zinc/28/12/97/461281297.db2.gz KDTPRJPYBXWYQK-WQDJSCAQSA-N 2 1 341.499 3.085 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000662526730 461282065 /nfs/dbraw/zinc/28/20/65/461282065.db2.gz KDTPRJPYBXWYQK-HNAWSFBYSA-N 2 1 341.499 3.085 20 0 EGADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCC[NH+](C)C ZINC000652713707 461326190 /nfs/dbraw/zinc/32/61/90/461326190.db2.gz VLTISMJXJZPNRP-GBESFXJTSA-N 2 1 345.531 3.228 20 0 EGADMP CC(C)(C)c1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655688855 461363014 /nfs/dbraw/zinc/36/30/14/461363014.db2.gz NBEKSXVVYZXKAG-FQEVSTJZSA-N 2 1 330.516 3.370 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000668631002 461363740 /nfs/dbraw/zinc/36/37/40/461363740.db2.gz MVDREGGRRWZVJV-CTNGQTDRSA-N 2 1 346.515 3.408 20 0 EGADMP c1sc2ccccc2c1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655701492 461374031 /nfs/dbraw/zinc/37/40/31/461374031.db2.gz FZPBQWAWHMMFIO-KRWDZBQOSA-N 2 1 330.497 3.287 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc2ccc(F)c(F)c2n1 ZINC000638335042 461375099 /nfs/dbraw/zinc/37/50/99/461375099.db2.gz IUMGAXPSSOOXRE-GFCCVEGCSA-N 2 1 330.382 3.444 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000641805510 461379647 /nfs/dbraw/zinc/37/96/47/461379647.db2.gz NDHPEZGSEFQNDV-HJIKLVIJSA-N 2 1 330.259 3.036 20 0 EGADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000641804786 461380984 /nfs/dbraw/zinc/38/09/84/461380984.db2.gz JQNYLKMSORZGBE-VXGBXAGGSA-N 2 1 349.784 3.013 20 0 EGADMP [NH3+][C@H](CCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)CC1CCCCC1 ZINC000662835402 461387474 /nfs/dbraw/zinc/38/74/74/461387474.db2.gz NNGXDYSMIRYDKH-QRVBRYPASA-N 2 1 335.536 3.197 20 0 EGADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccnc1 ZINC000655721169 461388625 /nfs/dbraw/zinc/38/86/25/461388625.db2.gz MGHPHONKXTZTHP-VQTJNVASSA-N 2 1 331.504 3.054 20 0 EGADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cccc(F)c2N)CC1 ZINC000638380009 461398419 /nfs/dbraw/zinc/39/84/19/461398419.db2.gz TXQUPYFTTFSJHE-UHFFFAOYSA-N 2 1 327.447 3.471 20 0 EGADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000655733075 461400880 /nfs/dbraw/zinc/40/08/80/461400880.db2.gz IUNPBJJYEUNRAJ-RTBURBONSA-N 2 1 336.520 3.101 20 0 EGADMP CC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)Cc2ccccc2C1 ZINC000655737517 461405818 /nfs/dbraw/zinc/40/58/18/461405818.db2.gz YNBXCOILRJLRNK-FQEVSTJZSA-N 2 1 328.500 3.025 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCO2)cc1 ZINC000655754823 461420261 /nfs/dbraw/zinc/42/02/61/461420261.db2.gz IGJAIVMPAYHBFL-NJYVYQBISA-N 2 1 344.499 3.140 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC000666088741 461450463 /nfs/dbraw/zinc/45/04/63/461450463.db2.gz QAIVXZIGSVCBQO-IAGOWNOFSA-N 2 1 336.907 3.024 20 0 EGADMP Fc1ccccc1C1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000655792783 461451132 /nfs/dbraw/zinc/45/11/32/461451132.db2.gz PUNKHDDFZRZZFY-KRWDZBQOSA-N 2 1 332.463 3.090 20 0 EGADMP c1ccc([C@@H]2C[C@H](N[C@H]3CC[N@H+](CC4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638583035 461494287 /nfs/dbraw/zinc/49/42/87/461494287.db2.gz WWQAGEHOFNEIPN-URVUXULASA-N 2 1 339.527 3.428 20 0 EGADMP c1ccc([C@@H]2C[C@H](N[C@H]3CC[NH+](CC4CC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000638583035 461494294 /nfs/dbraw/zinc/49/42/94/461494294.db2.gz WWQAGEHOFNEIPN-URVUXULASA-N 2 1 339.527 3.428 20 0 EGADMP c1ccc([C@@H]2C[C@H](N[C@H]3CC[NH+](CC4CC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000638583035 461494299 /nfs/dbraw/zinc/49/42/99/461494299.db2.gz WWQAGEHOFNEIPN-URVUXULASA-N 2 1 339.527 3.428 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3n2C)[C@H](C)C1 ZINC000638594249 461498960 /nfs/dbraw/zinc/49/89/60/461498960.db2.gz DUNFZFKTQSFBNN-YLJYHZDGSA-N 2 1 343.515 3.405 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000666220034 461514499 /nfs/dbraw/zinc/51/44/99/461514499.db2.gz ZKEPRWWKQIYNIE-PLACYPQZSA-N 2 1 346.515 3.071 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000666220034 461514506 /nfs/dbraw/zinc/51/45/06/461514506.db2.gz ZKEPRWWKQIYNIE-PLACYPQZSA-N 2 1 346.515 3.071 20 0 EGADMP O[C@@H]1CCCC[C@H]1[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000660009922 461544426 /nfs/dbraw/zinc/54/44/26/461544426.db2.gz CZFQVRYJRGRHEP-UWHLTILDSA-N 2 1 328.500 3.276 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000660009922 461544434 /nfs/dbraw/zinc/54/44/34/461544434.db2.gz CZFQVRYJRGRHEP-UWHLTILDSA-N 2 1 328.500 3.276 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000660009922 461544437 /nfs/dbraw/zinc/54/44/37/461544437.db2.gz CZFQVRYJRGRHEP-UWHLTILDSA-N 2 1 328.500 3.276 20 0 EGADMP O[C@@H]1CCCC[C@H]1[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000660009919 461545348 /nfs/dbraw/zinc/54/53/48/461545348.db2.gz CZFQVRYJRGRHEP-PLACYPQZSA-N 2 1 328.500 3.276 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000660009919 461545354 /nfs/dbraw/zinc/54/53/54/461545354.db2.gz CZFQVRYJRGRHEP-PLACYPQZSA-N 2 1 328.500 3.276 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000660009919 461545361 /nfs/dbraw/zinc/54/53/61/461545361.db2.gz CZFQVRYJRGRHEP-PLACYPQZSA-N 2 1 328.500 3.276 20 0 EGADMP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343724 461570430 /nfs/dbraw/zinc/57/04/30/461570430.db2.gz CMBCOKRPSKMGLE-PZJWPPBQSA-N 2 1 344.499 3.066 20 0 EGADMP CC1CCC(O)(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000663343018 461571780 /nfs/dbraw/zinc/57/17/80/461571780.db2.gz ZCOAIEUXZOGXKQ-UHFFFAOYSA-N 2 1 348.506 3.363 20 0 EGADMP c1nc([C@@H]2CCCO2)sc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345639 461574802 /nfs/dbraw/zinc/57/48/02/461574802.db2.gz MFBRCMMCDGYTDC-RDJZCZTQSA-N 2 1 335.517 3.206 20 0 EGADMP c1nc([C@@H]2CCCO2)sc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345639 461574809 /nfs/dbraw/zinc/57/48/09/461574809.db2.gz MFBRCMMCDGYTDC-RDJZCZTQSA-N 2 1 335.517 3.206 20 0 EGADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC ZINC000663346662 461576424 /nfs/dbraw/zinc/57/64/24/461576424.db2.gz CBJCVJOAXRNGFS-GOSISDBHSA-N 2 1 332.488 3.306 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCc1nsc2ccccc21 ZINC000660117134 461591120 /nfs/dbraw/zinc/59/11/20/461591120.db2.gz MNQLTGVPYGNHBH-JLSDUUJJSA-N 2 1 345.512 3.022 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCc1nsc2ccccc21 ZINC000660117134 461591124 /nfs/dbraw/zinc/59/11/24/461591124.db2.gz MNQLTGVPYGNHBH-JLSDUUJJSA-N 2 1 345.512 3.022 20 0 EGADMP COc1ccccc1N1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000631155632 461597426 /nfs/dbraw/zinc/59/74/26/461597426.db2.gz QNXYVMSTPMUYPK-UHFFFAOYSA-N 2 1 331.504 3.128 20 0 EGADMP COc1ccc([C@@H](CC(C)C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000647284271 461611386 /nfs/dbraw/zinc/61/13/86/461611386.db2.gz JPBCYSALBXMCLC-HXUWFJFHSA-N 2 1 334.504 3.219 20 0 EGADMP OCc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000647322164 461633342 /nfs/dbraw/zinc/63/33/42/461633342.db2.gz IXEHSXAZJLKSID-KOUNCHBCSA-N 2 1 336.479 3.464 20 0 EGADMP Cn1c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc2ccccc21 ZINC000638977159 461665554 /nfs/dbraw/zinc/66/55/54/461665554.db2.gz OEZPPCRGUBGBBQ-OAQYLSRUSA-N 2 1 349.478 3.035 20 0 EGADMP C[C@@H]1CCC(C)(C)[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000650286486 461683709 /nfs/dbraw/zinc/68/37/09/461683709.db2.gz XYLHUISGOIPNQU-QGZVFWFLSA-N 2 1 343.515 3.162 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])N1CCCC1 ZINC000643455777 461731784 /nfs/dbraw/zinc/73/17/84/461731784.db2.gz XMMICIOZEKOQLP-OTWHNJEPSA-N 2 1 331.504 3.082 20 0 EGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000643462286 461734610 /nfs/dbraw/zinc/73/46/10/461734610.db2.gz ZFVNLOPOMAPMFV-VQTJNVASSA-N 2 1 325.456 3.410 20 0 EGADMP CO[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000669621128 461744182 /nfs/dbraw/zinc/74/41/82/461744182.db2.gz ITZDYBUYPGRRBJ-XLIONFOSSA-N 2 1 332.488 3.161 20 0 EGADMP Cc1c([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)nnn1-c1ccccc1 ZINC000643523435 461752599 /nfs/dbraw/zinc/75/25/99/461752599.db2.gz DZLANQCOZPJAEC-AWEZNQCLSA-N 2 1 333.439 3.030 20 0 EGADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647542881 461757673 /nfs/dbraw/zinc/75/76/73/461757673.db2.gz DIOASHUGCVOZSC-CVEARBPZSA-N 2 1 336.549 3.201 20 0 EGADMP Cn1c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc2cc(Cl)ccc21 ZINC000647544246 461759339 /nfs/dbraw/zinc/75/93/39/461759339.db2.gz YMTUZWVDJUBGEB-HUUCEWRRSA-N 2 1 346.906 3.438 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)CC[NH2+]1 ZINC000666687227 461759957 /nfs/dbraw/zinc/75/99/57/461759957.db2.gz GWHGLZPOIOJCPH-AOIWGVFYSA-N 2 1 344.503 3.051 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856556 461838564 /nfs/dbraw/zinc/83/85/64/461838564.db2.gz QDAKFUJESFRMKE-KRWDZBQOSA-N 2 1 326.488 3.402 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CCC4CCC4)CC3)C2)cc1 ZINC000660540040 461840548 /nfs/dbraw/zinc/84/05/48/461840548.db2.gz YJORSNRNNKBKQX-NRFANRHFSA-N 2 1 327.516 3.069 20 0 EGADMP C[N@@H+](CC[C@@H]1Sc2ccccc2NC1=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660542395 461843354 /nfs/dbraw/zinc/84/33/54/461843354.db2.gz PMIBAIHHKPMAKO-DPXCBNATSA-N 2 1 345.512 3.047 20 0 EGADMP CCC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639329136 461863497 /nfs/dbraw/zinc/86/34/97/461863497.db2.gz GTJNCNUIFNMPNF-SVFBPWRDSA-N 2 1 327.516 3.428 20 0 EGADMP CCC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639329136 461863502 /nfs/dbraw/zinc/86/35/02/461863502.db2.gz GTJNCNUIFNMPNF-SVFBPWRDSA-N 2 1 327.516 3.428 20 0 EGADMP CCC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639329136 461863508 /nfs/dbraw/zinc/86/35/08/461863508.db2.gz GTJNCNUIFNMPNF-SVFBPWRDSA-N 2 1 327.516 3.428 20 0 EGADMP CC[N@@H+](CCCC1CC[NH2+]CC1)CC(=O)Nc1c(F)cccc1F ZINC000647870895 461865061 /nfs/dbraw/zinc/86/50/61/461865061.db2.gz KEXJNSHVOAFQLM-UHFFFAOYSA-N 2 1 339.430 3.005 20 0 EGADMP Clc1ccc(-c2noc([C@@H]3CCC[N@@H+](C[C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000647883997 461870819 /nfs/dbraw/zinc/87/08/19/461870819.db2.gz SOWHTWCDMBSIJI-UKRRQHHQSA-N 2 1 346.862 3.179 20 0 EGADMP CC[N@@H+](CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)C1CC1 ZINC000650679906 461885292 /nfs/dbraw/zinc/88/52/92/461885292.db2.gz DNZYHURQVQURTQ-UHFFFAOYSA-N 2 1 347.528 3.297 20 0 EGADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656782545 461892963 /nfs/dbraw/zinc/89/29/63/461892963.db2.gz HJLGOVRVNOVMHY-LJQANCHMSA-N 2 1 330.520 3.138 20 0 EGADMP Clc1ccc2ncc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2c1 ZINC000656786988 461898269 /nfs/dbraw/zinc/89/82/69/461898269.db2.gz ZAACXSDBRICUKM-OAHLLOKOSA-N 2 1 332.879 3.199 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3c(F)cccc3Cl)C2)C1 ZINC000650705637 461898467 /nfs/dbraw/zinc/89/84/67/461898467.db2.gz OQVHFGWTXYGVRX-OGHNNQOOSA-N 2 1 326.843 3.197 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1Cl ZINC000650706112 461899561 /nfs/dbraw/zinc/89/95/61/461899561.db2.gz DJBXJNPKPAATAU-HDMKZQKVSA-N 2 1 338.879 3.067 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccccc3OC(F)F)C2)C1 ZINC000650705886 461899923 /nfs/dbraw/zinc/89/99/23/461899923.db2.gz ZZTOGQPIZHXJHM-UXLLHSPISA-N 2 1 340.414 3.006 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3F)C2)C1 ZINC000650707824 461900950 /nfs/dbraw/zinc/90/09/50/461900950.db2.gz NSDAOHZFCIBOJN-FRFSOERESA-N 2 1 326.843 3.197 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000650707549 461901343 /nfs/dbraw/zinc/90/13/43/461901343.db2.gz IJLGDGVOOZNDSS-VBQJREDUSA-N 2 1 326.843 3.197 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)C2 ZINC000650708898 461904054 /nfs/dbraw/zinc/90/40/54/461904054.db2.gz TXGDGDHNNFARGH-HOCLYGCPSA-N 2 1 328.378 3.189 20 0 EGADMP CCCCOc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1OC ZINC000650708523 461904214 /nfs/dbraw/zinc/90/42/14/461904214.db2.gz BNUFKLGBQYSRPA-PXNSSMCTSA-N 2 1 332.488 3.435 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)ccc1OC(F)F ZINC000666999497 461905985 /nfs/dbraw/zinc/90/59/85/461905985.db2.gz PWNGQSLLQPTXKZ-CYBMUJFWSA-N 2 1 326.387 3.061 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2ccc(C[NH3+])cc2F)C1 ZINC000650717611 461909950 /nfs/dbraw/zinc/90/99/50/461909950.db2.gz HEUHHGCCDDJFAH-DNVCBOLYSA-N 2 1 327.447 3.210 20 0 EGADMP Cn1cc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c(C2CCCCC2)n1 ZINC000650717596 461909989 /nfs/dbraw/zinc/90/99/89/461909989.db2.gz GTSXLNDOGLMKBK-UHFFFAOYSA-N 2 1 330.451 3.355 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2F)C1 ZINC000650722961 461914328 /nfs/dbraw/zinc/91/43/28/461914328.db2.gz FIJSLXYASDUFHX-VNQPRFMTSA-N 2 1 326.843 3.340 20 0 EGADMP Cc1nccn1CCCC[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660666129 461914509 /nfs/dbraw/zinc/91/45/09/461914509.db2.gz NCGUGHDPIYUKFU-UHFFFAOYSA-N 2 1 348.441 3.462 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660666129 461914521 /nfs/dbraw/zinc/91/45/21/461914521.db2.gz NCGUGHDPIYUKFU-UHFFFAOYSA-N 2 1 348.441 3.462 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)CN[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000660672202 461918053 /nfs/dbraw/zinc/91/80/53/461918053.db2.gz AEXYTQGZVGJFSC-WMLDXEAASA-N 2 1 328.859 3.221 20 0 EGADMP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977684 461919116 /nfs/dbraw/zinc/91/91/16/461919116.db2.gz GBCNULLZDLEVFS-SJORKVTESA-N 2 1 339.483 3.371 20 0 EGADMP Fc1cccc(-n2ccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647977886 461920425 /nfs/dbraw/zinc/92/04/25/461920425.db2.gz JLGAOPBWLNKPGZ-IRXDYDNUSA-N 2 1 342.462 3.223 20 0 EGADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679894 461923161 /nfs/dbraw/zinc/92/31/61/461923161.db2.gz QUFHKAJRTPWWLF-GCJKJVERSA-N 2 1 338.495 3.405 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@H]1C[NH3+] ZINC000667039613 461924341 /nfs/dbraw/zinc/92/43/41/461924341.db2.gz ZUPWQKWSPGWLMK-GOEBONIOSA-N 2 1 338.455 3.250 20 0 EGADMP Cc1cccc(C)c1OCCC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660694389 461926914 /nfs/dbraw/zinc/92/69/14/461926914.db2.gz CBDNPTHHRAYVGU-UHFFFAOYSA-N 2 1 348.531 3.145 20 0 EGADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)CCCO2 ZINC000650753971 461935659 /nfs/dbraw/zinc/93/56/59/461935659.db2.gz ZJIUMDLRUHPDFQ-SFHVURJKSA-N 2 1 330.403 3.297 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C)o2)C[C@H]1C ZINC000648009906 461936408 /nfs/dbraw/zinc/93/64/08/461936408.db2.gz BENWNWUZULWEGC-RHSMWYFYSA-N 2 1 330.476 3.293 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C)o2)C[C@H]1C ZINC000648009906 461936416 /nfs/dbraw/zinc/93/64/16/461936416.db2.gz BENWNWUZULWEGC-RHSMWYFYSA-N 2 1 330.476 3.293 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C)o2)C[C@H]1C ZINC000648009906 461936425 /nfs/dbraw/zinc/93/64/25/461936425.db2.gz BENWNWUZULWEGC-RHSMWYFYSA-N 2 1 330.476 3.293 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C)o2)C[C@H]1C ZINC000648009906 461936430 /nfs/dbraw/zinc/93/64/30/461936430.db2.gz BENWNWUZULWEGC-RHSMWYFYSA-N 2 1 330.476 3.293 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@H+]([C@H]1CC[C@](C)(c3ccccc3)C1)CCO2 ZINC000648072087 461968300 /nfs/dbraw/zinc/96/83/00/461968300.db2.gz KWGRMEUBERXBMV-PMACEKPBSA-N 2 1 328.500 3.293 20 0 EGADMP CC(C)COC[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000644522329 461969135 /nfs/dbraw/zinc/96/91/35/461969135.db2.gz NSSIVZMVOBNAAY-NQIIRXRSSA-N 2 1 348.531 3.184 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC2(CCCC2)O1 ZINC000648077406 461970817 /nfs/dbraw/zinc/97/08/17/461970817.db2.gz OVOIFSGLIFKLIZ-QGZVFWFLSA-N 2 1 332.488 3.161 20 0 EGADMP CC[N@@H+]1CCO[C@@H](CNc2[nH+]ccc3[nH]ccc32)[C@@H]1c1ccccc1 ZINC000664232767 461991348 /nfs/dbraw/zinc/99/13/48/461991348.db2.gz YIQQCZBORXWYOV-OALUTQOASA-N 2 1 336.439 3.437 20 0 EGADMP CC[N@H+]1CCO[C@@H](CNc2[nH+]ccc3[nH]ccc32)[C@@H]1c1ccccc1 ZINC000664232767 461991355 /nfs/dbraw/zinc/99/13/55/461991355.db2.gz YIQQCZBORXWYOV-OALUTQOASA-N 2 1 336.439 3.437 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2cncc(Br)c2C)CC1 ZINC000657294030 462022649 /nfs/dbraw/zinc/02/26/49/462022649.db2.gz AMIGECVCNVXWIE-UHFFFAOYSA-N 2 1 326.282 3.117 20 0 EGADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000639656607 462042054 /nfs/dbraw/zinc/04/20/54/462042054.db2.gz SXFWBTQDACEZBG-AZUAARDMSA-N 2 1 328.500 3.400 20 0 EGADMP CCc1[nH+]c2ccccc2c(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1C ZINC000664596640 462119607 /nfs/dbraw/zinc/11/96/07/462119607.db2.gz JXAWCNRYVTXZBD-KRWDZBQOSA-N 2 1 339.483 3.141 20 0 EGADMP CCn1nccc1[C@@H]1OCCC[C@H]1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000667664602 462197501 /nfs/dbraw/zinc/19/75/01/462197501.db2.gz OUZWHOAYLBGQGA-CGBFIWBNSA-N 2 1 348.535 3.175 20 0 EGADMP CCn1nccc1[C@@H]1OCCC[C@H]1C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000667664602 462197507 /nfs/dbraw/zinc/19/75/07/462197507.db2.gz OUZWHOAYLBGQGA-CGBFIWBNSA-N 2 1 348.535 3.175 20 0 EGADMP CCn1nccc1[C@@H]1OCCC[C@H]1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000667664602 462197510 /nfs/dbraw/zinc/19/75/10/462197510.db2.gz OUZWHOAYLBGQGA-CGBFIWBNSA-N 2 1 348.535 3.175 20 0 EGADMP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc12 ZINC000657750278 462250061 /nfs/dbraw/zinc/25/00/61/462250061.db2.gz GBSXTFNPZWTUHJ-SFHVURJKSA-N 2 1 340.467 3.191 20 0 EGADMP CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C12CCC2 ZINC000648798803 462283241 /nfs/dbraw/zinc/28/32/41/462283241.db2.gz INZNPKZDXUAOHR-MOPGFXCFSA-N 2 1 332.488 3.016 20 0 EGADMP CC(C)c1[nH+]c(CN2CC[C@H](C[NH+]3CCCC3)C2)c2ccccn21 ZINC000651643575 462287514 /nfs/dbraw/zinc/28/75/14/462287514.db2.gz GJIDIVWGGWINQH-QGZVFWFLSA-N 2 1 326.488 3.375 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)[C@H](C)C1 ZINC000658068069 462364578 /nfs/dbraw/zinc/36/45/78/462364578.db2.gz BOFIRQVOAKELLQ-RYRKJORJSA-N 2 1 335.923 3.486 20 0 EGADMP Clc1ccccc1N1CC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000658068275 462366312 /nfs/dbraw/zinc/36/63/12/462366312.db2.gz CMAOXACFKLWJRT-HNNXBMFYSA-N 2 1 333.907 3.383 20 0 EGADMP c1ccc(CN2CCCO[C@H](C[N@H+]3CC[C@@H](C4CCC4)C3)C2)cc1 ZINC000665290028 462387839 /nfs/dbraw/zinc/38/78/39/462387839.db2.gz GBRMBLVVAJEPHF-RTWAWAEBSA-N 2 1 328.500 3.400 20 0 EGADMP C[C@@H](COCC1CC1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000651982548 462401219 /nfs/dbraw/zinc/40/12/19/462401219.db2.gz AWBZUJWIXWVEPO-INIZCTEOSA-N 2 1 334.479 3.237 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1(CO)CC1 ZINC000658157341 462410116 /nfs/dbraw/zinc/41/01/16/462410116.db2.gz YPKRJVGHTGEGCE-OJAHFUOMSA-N 2 1 328.500 3.038 20 0 EGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3c(C4CC4)cnn3C)CC2)C1 ZINC000658213903 462431810 /nfs/dbraw/zinc/43/18/10/462431810.db2.gz UKHGODUUQLHSBT-QAPCUYQASA-N 2 1 330.520 3.430 20 0 EGADMP COc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532296 462431880 /nfs/dbraw/zinc/43/18/80/462431880.db2.gz SFCDUYAFFULURD-QGZVFWFLSA-N 2 1 347.503 3.220 20 0 EGADMP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1c(F)cccc1F ZINC000640533812 462432235 /nfs/dbraw/zinc/43/22/35/462432235.db2.gz WIOAEJACKOOBAN-UHFFFAOYSA-N 2 1 339.430 3.101 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1c(F)cccc1F ZINC000640533812 462432240 /nfs/dbraw/zinc/43/22/40/462432240.db2.gz WIOAEJACKOOBAN-UHFFFAOYSA-N 2 1 339.430 3.101 20 0 EGADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000649243536 462452483 /nfs/dbraw/zinc/45/24/83/462452483.db2.gz MFNVQQQFZDMHSV-PMACEKPBSA-N 2 1 341.499 3.086 20 0 EGADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000649243536 462452490 /nfs/dbraw/zinc/45/24/90/462452490.db2.gz MFNVQQQFZDMHSV-PMACEKPBSA-N 2 1 341.499 3.086 20 0 EGADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000649243536 462452496 /nfs/dbraw/zinc/45/24/96/462452496.db2.gz MFNVQQQFZDMHSV-PMACEKPBSA-N 2 1 341.499 3.086 20 0 EGADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000649243536 462452503 /nfs/dbraw/zinc/45/25/03/462452503.db2.gz MFNVQQQFZDMHSV-PMACEKPBSA-N 2 1 341.499 3.086 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccncn1 ZINC000658317557 462474780 /nfs/dbraw/zinc/47/47/80/462474780.db2.gz MRORPJNDWBPRRH-PKOBYXMFSA-N 2 1 336.483 3.430 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccncn1 ZINC000658317557 462474782 /nfs/dbraw/zinc/47/47/82/462474782.db2.gz MRORPJNDWBPRRH-PKOBYXMFSA-N 2 1 336.483 3.430 20 0 EGADMP C(=C/C[N@H+]1CC[C@H](c2cccnc2)C1)\C[NH+]1CC[C@H](c2cccnc2)C1 ZINC000645983216 462487325 /nfs/dbraw/zinc/48/73/25/462487325.db2.gz BBBFPWDJYZDHMS-HNSCLNPNSA-N 2 1 348.494 3.312 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000649378655 462493673 /nfs/dbraw/zinc/49/36/73/462493673.db2.gz RMPFEZAWBBYXID-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC(=O)NC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000155237319 526702672 /nfs/dbraw/zinc/70/26/72/526702672.db2.gz XNSLZHLZTUXSKZ-AOUGCYQESA-N 2 1 343.515 3.076 20 0 EGADMP CC(=O)NC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000155237319 526702677 /nfs/dbraw/zinc/70/26/77/526702677.db2.gz XNSLZHLZTUXSKZ-AOUGCYQESA-N 2 1 343.515 3.076 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C12CCCC2 ZINC000181540884 527837734 /nfs/dbraw/zinc/83/77/34/527837734.db2.gz HDHFIXXJNJHOLD-QZTJIDSGSA-N 2 1 340.471 3.403 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000171479014 527862467 /nfs/dbraw/zinc/86/24/67/527862467.db2.gz ZLOSQDCFSZOVRN-SFHVURJKSA-N 2 1 331.504 3.059 20 0 EGADMP CC[N@H+]1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@H](C)C1 ZINC000177968959 527880738 /nfs/dbraw/zinc/88/07/38/527880738.db2.gz YHYVEJUPXMVAEM-NQIIRXRSSA-N 2 1 329.532 3.013 20 0 EGADMP CC[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCSCC3)c2)[C@H](C)C1 ZINC000131732407 527891303 /nfs/dbraw/zinc/89/13/03/527891303.db2.gz IWVSSZVDIFHGLC-APWZRJJASA-N 2 1 333.545 3.378 20 0 EGADMP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1c(F)cccc1F ZINC000191470970 528451372 /nfs/dbraw/zinc/45/13/72/528451372.db2.gz NPMKMDKIQKNVGH-UHFFFAOYSA-N 2 1 339.474 3.203 20 0 EGADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1c(F)cccc1F ZINC000191470970 528451378 /nfs/dbraw/zinc/45/13/78/528451378.db2.gz NPMKMDKIQKNVGH-UHFFFAOYSA-N 2 1 339.474 3.203 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1 ZINC000191514322 528865176 /nfs/dbraw/zinc/86/51/76/528865176.db2.gz KWLXJADORCLXKD-MRXNPFEDSA-N 2 1 328.460 3.185 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1 ZINC000191514322 528865184 /nfs/dbraw/zinc/86/51/84/528865184.db2.gz KWLXJADORCLXKD-MRXNPFEDSA-N 2 1 328.460 3.185 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C ZINC000191472037 528866259 /nfs/dbraw/zinc/86/62/59/528866259.db2.gz VHLVTMDBQUBISR-QGZVFWFLSA-N 2 1 342.487 3.493 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C ZINC000191472037 528866262 /nfs/dbraw/zinc/86/62/62/528866262.db2.gz VHLVTMDBQUBISR-QGZVFWFLSA-N 2 1 342.487 3.493 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc2ccccc2[nH]c1=O ZINC000191504039 528866648 /nfs/dbraw/zinc/86/66/48/528866648.db2.gz HRFKOHIDKAYCTG-UHFFFAOYSA-N 2 1 338.455 3.199 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc2ccccc2[nH]c1=O ZINC000191504039 528866655 /nfs/dbraw/zinc/86/66/55/528866655.db2.gz HRFKOHIDKAYCTG-UHFFFAOYSA-N 2 1 338.455 3.199 20 0 EGADMP CC(C)O[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1(C)C ZINC000185240899 534926330 /nfs/dbraw/zinc/92/63/30/534926330.db2.gz KHKJHDRGCJMADV-MSOLQXFVSA-N 2 1 338.536 3.203 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)c1ccccc1 ZINC000346629422 535595660 /nfs/dbraw/zinc/59/56/60/535595660.db2.gz VVYHMDHZHHTGFX-QUCCMNQESA-N 2 1 345.531 3.055 20 0 EGADMP C[N@H+](CCCO)C1CC[NH+](CCc2ccc3ccccc3c2)CC1 ZINC000265192791 536357630 /nfs/dbraw/zinc/35/76/30/536357630.db2.gz HQUUFRIHNBCUIY-UHFFFAOYSA-N 2 1 326.484 3.161 20 0 EGADMP C[N@@H+](CCCO)C1CC[NH+](CCc2ccc3ccccc3c2)CC1 ZINC000265192791 536357634 /nfs/dbraw/zinc/35/76/34/536357634.db2.gz HQUUFRIHNBCUIY-UHFFFAOYSA-N 2 1 326.484 3.161 20 0 EGADMP CC1(C)C[C@@H](NC[C@@H]2CC[NH+](C3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000090169237 546653764 /nfs/dbraw/zinc/65/37/64/546653764.db2.gz LPWXMXJKYPDGIJ-RBUKOAKNSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000090169237 546653767 /nfs/dbraw/zinc/65/37/67/546653767.db2.gz LPWXMXJKYPDGIJ-RBUKOAKNSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000090169237 546653773 /nfs/dbraw/zinc/65/37/73/546653773.db2.gz LPWXMXJKYPDGIJ-RBUKOAKNSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CN1Cc1ccccc1 ZINC000090169237 546653777 /nfs/dbraw/zinc/65/37/77/546653777.db2.gz LPWXMXJKYPDGIJ-RBUKOAKNSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CN1Cc1ccccc1 ZINC000090169237 546653782 /nfs/dbraw/zinc/65/37/82/546653782.db2.gz LPWXMXJKYPDGIJ-RBUKOAKNSA-N 2 1 327.516 3.113 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000090184982 546654686 /nfs/dbraw/zinc/65/46/86/546654686.db2.gz SEKHAQZVARCMHW-YLJYHZDGSA-N 2 1 340.515 3.470 20 0 EGADMP CCOC[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000093419538 546685068 /nfs/dbraw/zinc/68/50/68/546685068.db2.gz JUZAMBWRNPHCCP-FQEVSTJZSA-N 2 1 346.515 3.410 20 0 EGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccco1 ZINC000151902769 546860857 /nfs/dbraw/zinc/86/08/57/546860857.db2.gz BEFKQCSGVJLJBE-PKOBYXMFSA-N 2 1 327.472 3.309 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000165288464 546984104 /nfs/dbraw/zinc/98/41/04/546984104.db2.gz RKQXEFHVTBKBIM-FQEVSTJZSA-N 3 1 329.532 3.015 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000165288464 546984107 /nfs/dbraw/zinc/98/41/07/546984107.db2.gz RKQXEFHVTBKBIM-FQEVSTJZSA-N 3 1 329.532 3.015 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(OC[C@@H]2CCCO2)c1 ZINC000166834028 546989696 /nfs/dbraw/zinc/98/96/96/546989696.db2.gz HQAGPQODRRCBFC-AQNXPRMDSA-N 2 1 344.499 3.269 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(OC[C@@H]2CCCO2)c1 ZINC000166834028 546989700 /nfs/dbraw/zinc/98/97/00/546989700.db2.gz HQAGPQODRRCBFC-AQNXPRMDSA-N 2 1 344.499 3.269 20 0 EGADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cn[nH]c3C)CC2)cc1 ZINC000180328951 547055510 /nfs/dbraw/zinc/05/55/10/547055510.db2.gz LENLZFUACKNZRL-HNNXBMFYSA-N 2 1 342.487 3.290 20 0 EGADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000354329723 547705422 /nfs/dbraw/zinc/70/54/22/547705422.db2.gz LZJXLVYRMQUTTE-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000362516150 547769097 /nfs/dbraw/zinc/76/90/97/547769097.db2.gz MVHFBZWQTTWHRL-KRWDZBQOSA-N 2 1 328.859 3.412 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000362516150 547769102 /nfs/dbraw/zinc/76/91/02/547769102.db2.gz MVHFBZWQTTWHRL-KRWDZBQOSA-N 2 1 328.859 3.412 20 0 EGADMP COc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)sn1 ZINC000399140342 547836972 /nfs/dbraw/zinc/83/69/72/547836972.db2.gz UEDCBOBOQKMSPA-PBHICJAKSA-N 2 1 331.485 3.152 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000673652014 548590466 /nfs/dbraw/zinc/59/04/66/548590466.db2.gz XKKRLAPXQLLFOS-WOJBJXKFSA-N 2 1 345.531 3.135 20 0 EGADMP c1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675883228 548996914 /nfs/dbraw/zinc/99/69/14/548996914.db2.gz YLDAZZKWRAXADD-PKOBYXMFSA-N 2 1 330.472 3.133 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC000677138455 549215862 /nfs/dbraw/zinc/21/58/62/549215862.db2.gz PTZAIQZWIJADFO-UHFFFAOYSA-N 2 1 330.303 3.111 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CCc2ccc(F)cc2)cc1 ZINC000678193521 549422650 /nfs/dbraw/zinc/42/26/50/549422650.db2.gz DHCHLAQRUBVVRJ-UHFFFAOYSA-N 2 1 330.447 3.441 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC(C)(C)O1 ZINC000678214410 549426473 /nfs/dbraw/zinc/42/64/73/549426473.db2.gz UXHVQSDVESHIHR-KRWDZBQOSA-N 2 1 332.488 3.161 20 0 EGADMP C[N@H+](Cc1cnn(Cc2ccccc2Cl)c1)CC1CC[NH+](C)CC1 ZINC000678239316 549438939 /nfs/dbraw/zinc/43/89/39/549438939.db2.gz ZKHKAFJZRISUMX-UHFFFAOYSA-N 2 1 346.906 3.358 20 0 EGADMP Fc1ccc2c(c1)OCCC[C@@H]2NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000679770323 549774347 /nfs/dbraw/zinc/77/43/47/549774347.db2.gz MOZFPSYGDXOTMC-HKUYNNGSSA-N 2 1 348.462 3.272 20 0 EGADMP C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000682408929 550095483 /nfs/dbraw/zinc/09/54/83/550095483.db2.gz DKUGEOMSTKUKCP-DBXWQHBBSA-N 2 1 346.515 3.143 20 0 EGADMP c1c(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)[nH]c2ccccc12 ZINC000683925542 550274316 /nfs/dbraw/zinc/27/43/16/550274316.db2.gz MJFABTRHNVPZSK-UHFFFAOYSA-N 2 1 335.451 3.290 20 0 EGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683929386 550275065 /nfs/dbraw/zinc/27/50/65/550275065.db2.gz KXARYBAYDIASLR-TZIWHRDSSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683929386 550275067 /nfs/dbraw/zinc/27/50/67/550275067.db2.gz KXARYBAYDIASLR-TZIWHRDSSA-N 2 1 349.478 3.141 20 0 EGADMP CCOc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)nc1 ZINC000684004899 550282336 /nfs/dbraw/zinc/28/23/36/550282336.db2.gz FHCDJTGTMWMYBH-UHFFFAOYSA-N 2 1 340.471 3.393 20 0 EGADMP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000684005973 550282350 /nfs/dbraw/zinc/28/23/50/550282350.db2.gz XTSFHYMISWYYHQ-HNNXBMFYSA-N 2 1 346.519 3.092 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCO1 ZINC000684969399 550390013 /nfs/dbraw/zinc/39/00/13/550390013.db2.gz WFELJNNGAYWUOA-LJQANCHMSA-N 2 1 332.488 3.162 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Cl ZINC000685457342 550418940 /nfs/dbraw/zinc/41/89/40/550418940.db2.gz AYBHGFVAMQFXIV-SFHVURJKSA-N 2 1 335.923 3.249 20 0 EGADMP C[N@@H+](C/C=C/c1ccc(F)cc1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457195 550419099 /nfs/dbraw/zinc/41/90/99/550419099.db2.gz JNXOVAASSYORHQ-GNAXCBTBSA-N 2 1 349.469 3.078 20 0 EGADMP CC(C)[C@@H]1CC(=O)N(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000733291826 575325151 /nfs/dbraw/zinc/32/51/51/575325151.db2.gz LKGMGRZQWGVXRE-LJQANCHMSA-N 2 1 335.536 3.036 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000741796697 575438588 /nfs/dbraw/zinc/43/85/88/575438588.db2.gz WSCPPIKUCZEUKA-ULQDDVLXSA-N 2 1 339.524 3.048 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000741796697 575438591 /nfs/dbraw/zinc/43/85/91/575438591.db2.gz WSCPPIKUCZEUKA-ULQDDVLXSA-N 2 1 339.524 3.048 20 0 EGADMP CC1(C)[C@H](NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]2CCC[NH2+][C@H]21 ZINC000693711371 1298151195 /nfs/dbraw/zinc/15/11/95/1298151195.db2.gz DYHSKTIHGWTOEY-UWHLTILDSA-N 2 1 341.543 3.265 20 0 EGADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]2CCC[NH2+][C@H]21 ZINC000693711371 1298151200 /nfs/dbraw/zinc/15/12/00/1298151200.db2.gz DYHSKTIHGWTOEY-UWHLTILDSA-N 3 1 341.543 3.265 20 0 EGADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]2CCC[NH2+][C@H]21 ZINC000693711371 1298151204 /nfs/dbraw/zinc/15/12/04/1298151204.db2.gz DYHSKTIHGWTOEY-UWHLTILDSA-N 3 1 341.543 3.265 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000063917568 1292031246 /nfs/dbraw/zinc/03/12/46/1292031246.db2.gz VSHQXSDGKKNBJW-QGZVFWFLSA-N 2 1 344.478 3.450 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000063917568 1292031255 /nfs/dbraw/zinc/03/12/55/1292031255.db2.gz VSHQXSDGKKNBJW-QGZVFWFLSA-N 2 1 344.478 3.450 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000063917531 1292031611 /nfs/dbraw/zinc/03/16/11/1292031611.db2.gz PGUXKUIGFYLCGN-MRXNPFEDSA-N 2 1 346.906 3.406 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000063917531 1292031621 /nfs/dbraw/zinc/03/16/21/1292031621.db2.gz PGUXKUIGFYLCGN-MRXNPFEDSA-N 2 1 346.906 3.406 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000063917499 1292031765 /nfs/dbraw/zinc/03/17/65/1292031765.db2.gz LAPMRBNFWHZAJA-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000067222859 1292154999 /nfs/dbraw/zinc/15/49/99/1292154999.db2.gz BNOJUGKBQJBRAB-QGZVFWFLSA-N 2 1 344.478 3.450 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000067222859 1292155007 /nfs/dbraw/zinc/15/50/07/1292155007.db2.gz BNOJUGKBQJBRAB-QGZVFWFLSA-N 2 1 344.478 3.450 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2csc(C(C)(C)C)n2)C[C@H](C)O1 ZINC000067452576 1292161149 /nfs/dbraw/zinc/16/11/49/1292161149.db2.gz NZWXDULWWAYJQT-GASCZTMLSA-N 2 1 339.549 3.420 20 0 EGADMP COc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc(Cl)c1OC ZINC000069751908 1292248844 /nfs/dbraw/zinc/24/88/44/1292248844.db2.gz PDQATRZHBOJAIG-ZDUSSCGKSA-N 2 1 326.868 3.179 20 0 EGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000075861154 1292414368 /nfs/dbraw/zinc/41/43/68/1292414368.db2.gz QSYXDZLRZPPECC-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000075861154 1292414375 /nfs/dbraw/zinc/41/43/75/1292414375.db2.gz QSYXDZLRZPPECC-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000075861154 1292414384 /nfs/dbraw/zinc/41/43/84/1292414384.db2.gz QSYXDZLRZPPECC-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH3+])c2)[C@H]1c1cccs1 ZINC000830384013 1292715007 /nfs/dbraw/zinc/71/50/07/1292715007.db2.gz ZDIFYBSYVGMXIO-WMZOPIPTSA-N 2 1 343.496 3.020 20 0 EGADMP CC(C)c1noc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000089578497 1292771905 /nfs/dbraw/zinc/77/19/05/1292771905.db2.gz SWSMVOCQZUVZJV-UHFFFAOYSA-N 2 1 342.487 3.032 20 0 EGADMP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1c(F)cccc1F ZINC000090078716 1292786327 /nfs/dbraw/zinc/78/63/27/1292786327.db2.gz UNFBUMISJXOCHA-SFHVURJKSA-N 2 1 338.442 3.385 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2sc(CCOC)nc2C)C1 ZINC000092743005 1292888463 /nfs/dbraw/zinc/88/84/63/1292888463.db2.gz DYJFYRUFSVEFLU-DZGCQCFKSA-N 2 1 325.522 3.023 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1nc(Br)cs1 ZINC000834517984 1293108793 /nfs/dbraw/zinc/10/87/93/1293108793.db2.gz BNLJFJVMJRTILJ-VIFPVBQESA-N 2 1 329.267 3.151 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC1CCC(C)([NH+]2CCC2)CC1)c1ccccc1 ZINC000834792229 1293149587 /nfs/dbraw/zinc/14/95/87/1293149587.db2.gz HHSLRDNCUGWKIB-SCCNAQOGSA-N 2 1 343.515 3.203 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)OC[C@@H]2CCC[N@H+]2Cc2ccco2)c1 ZINC000835246128 1293242124 /nfs/dbraw/zinc/24/21/24/1293242124.db2.gz HUAAFRIQJQFJQA-SFHVURJKSA-N 2 1 342.439 3.163 20 0 EGADMP CCOc1cccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000124430078 1293475206 /nfs/dbraw/zinc/47/52/06/1293475206.db2.gz DZMMAFLWVVAGCY-QGZVFWFLSA-N 2 1 333.520 3.010 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(CN2C(=O)C[C@H]2c2ccccc2)CC1 ZINC000151802745 1293939221 /nfs/dbraw/zinc/93/92/21/1293939221.db2.gz QHOSWIXOQQUUCT-FQEVSTJZSA-N 2 1 343.515 3.361 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](CN2C(=O)C[C@H]2c2ccccc2)CC1 ZINC000151802745 1293939230 /nfs/dbraw/zinc/93/92/30/1293939230.db2.gz QHOSWIXOQQUUCT-FQEVSTJZSA-N 2 1 343.515 3.361 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C(=O)C[C@H]2c2ccccc2)CC1 ZINC000151802745 1293939234 /nfs/dbraw/zinc/93/92/34/1293939234.db2.gz QHOSWIXOQQUUCT-FQEVSTJZSA-N 2 1 343.515 3.361 20 0 EGADMP CCC[N@H+](CC)CC[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000156804154 1294159996 /nfs/dbraw/zinc/15/99/96/1294159996.db2.gz TURFTKNYKYTKJY-UHFFFAOYSA-N 2 1 332.536 3.043 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000156804154 1294159999 /nfs/dbraw/zinc/15/99/99/1294159999.db2.gz TURFTKNYKYTKJY-UHFFFAOYSA-N 2 1 332.536 3.043 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000163056636 1294326969 /nfs/dbraw/zinc/32/69/69/1294326969.db2.gz CIVVPIDTDKJRGI-UHFFFAOYSA-N 2 1 328.859 3.458 20 0 EGADMP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC000848524721 1321968262 /nfs/dbraw/zinc/96/82/62/1321968262.db2.gz HBMWTRSCAMRSJI-HZPDHXFCSA-N 2 1 327.513 3.142 20 0 EGADMP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC000848524721 1321968260 /nfs/dbraw/zinc/96/82/60/1321968260.db2.gz HBMWTRSCAMRSJI-HZPDHXFCSA-N 2 1 327.513 3.142 20 0 EGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183541635 1295128828 /nfs/dbraw/zinc/12/88/28/1295128828.db2.gz FYMPTEIQXGWNCV-MRXNPFEDSA-N 2 1 327.513 3.098 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183541635 1295128836 /nfs/dbraw/zinc/12/88/36/1295128836.db2.gz FYMPTEIQXGWNCV-MRXNPFEDSA-N 2 1 327.513 3.098 20 0 EGADMP CC1CC[NH+](CCC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000185268311 1295251553 /nfs/dbraw/zinc/25/15/53/1295251553.db2.gz FAKLFYXLBJGONI-UHFFFAOYSA-N 2 1 325.840 3.460 20 0 EGADMP CC(C)C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)C ZINC000194174165 1295951453 /nfs/dbraw/zinc/95/14/53/1295951453.db2.gz PTOSIIXHFBRQAQ-UHFFFAOYSA-N 2 1 345.531 3.265 20 0 EGADMP C[C@@H]1CCC[C@@](C[NH2+]CCCNC(=O)OC(C)(C)C)([NH+](C)C)C1 ZINC000227409828 1296143021 /nfs/dbraw/zinc/14/30/21/1296143021.db2.gz HSUNZOJXPPRKBC-CRAIPNDOSA-N 2 1 327.513 3.001 20 0 EGADMP CCC[N@H+]1CC[C@H](CNCC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000236786722 1296203688 /nfs/dbraw/zinc/20/36/88/1296203688.db2.gz RLYDZQRTQDYWKG-HXUWFJFHSA-N 2 1 331.548 3.466 20 0 EGADMP CCC[NH+]1CC[C@H](CNCC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000236786722 1296203696 /nfs/dbraw/zinc/20/36/96/1296203696.db2.gz RLYDZQRTQDYWKG-HXUWFJFHSA-N 2 1 331.548 3.466 20 0 EGADMP CCC[NH+]1CC[C@H](CNCC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000236786722 1296203708 /nfs/dbraw/zinc/20/37/08/1296203708.db2.gz RLYDZQRTQDYWKG-HXUWFJFHSA-N 2 1 331.548 3.466 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000236786722 1296203715 /nfs/dbraw/zinc/20/37/15/1296203715.db2.gz RLYDZQRTQDYWKG-HXUWFJFHSA-N 3 1 331.548 3.466 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000236786722 1296203723 /nfs/dbraw/zinc/20/37/23/1296203723.db2.gz RLYDZQRTQDYWKG-HXUWFJFHSA-N 3 1 331.548 3.466 20 0 EGADMP CCC[NH+]1CC[C@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000236786722 1296203726 /nfs/dbraw/zinc/20/37/26/1296203726.db2.gz RLYDZQRTQDYWKG-HXUWFJFHSA-N 3 1 331.548 3.466 20 0 EGADMP CCC[NH+]1CC[C@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000236786722 1296203732 /nfs/dbraw/zinc/20/37/32/1296203732.db2.gz RLYDZQRTQDYWKG-HXUWFJFHSA-N 3 1 331.548 3.466 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])c1 ZINC000236830246 1296204980 /nfs/dbraw/zinc/20/49/80/1296204980.db2.gz WCUPDPHQSRTGPX-DLBZAZTESA-N 2 1 326.444 3.121 20 0 EGADMP CCOc1cc(C[NH2+]C2CC[NH+](CC)CC2)ccc1OC(F)F ZINC000236915955 1296212097 /nfs/dbraw/zinc/21/20/97/1296212097.db2.gz MBKAVIZNQFAXRF-UHFFFAOYSA-N 2 1 328.403 3.261 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000237676004 1296256205 /nfs/dbraw/zinc/25/62/05/1296256205.db2.gz QUFCQZJSJOAQOL-CGTJXYLNSA-N 2 1 329.488 3.375 20 0 EGADMP CCCOc1c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cccc1OCC ZINC000262151567 1296620025 /nfs/dbraw/zinc/62/00/25/1296620025.db2.gz ZWWHDEGJASFMJS-UHFFFAOYSA-N 2 1 332.488 3.450 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1 ZINC000305318872 1297010873 /nfs/dbraw/zinc/01/08/73/1297010873.db2.gz KXGYASXPWNMTTQ-OWCLPIDISA-N 2 1 329.271 3.243 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1 ZINC000305318872 1297010888 /nfs/dbraw/zinc/01/08/88/1297010888.db2.gz KXGYASXPWNMTTQ-OWCLPIDISA-N 2 1 329.271 3.243 20 0 EGADMP C[N@H+](CC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000309944922 1297081267 /nfs/dbraw/zinc/08/12/67/1297081267.db2.gz CLSNQFQRYPTKFE-HOTGVXAUSA-N 2 1 339.524 3.286 20 0 EGADMP C[N@@H+](CC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000309944922 1297081282 /nfs/dbraw/zinc/08/12/82/1297081282.db2.gz CLSNQFQRYPTKFE-HOTGVXAUSA-N 2 1 339.524 3.286 20 0 EGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000310917509 1297104452 /nfs/dbraw/zinc/10/44/52/1297104452.db2.gz QPAQQGWEUZEPJJ-RTWAWAEBSA-N 2 1 340.515 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000345788062 1297339178 /nfs/dbraw/zinc/33/91/78/1297339178.db2.gz CFINRUKTJOSVMQ-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000345788062 1297339191 /nfs/dbraw/zinc/33/91/91/1297339191.db2.gz CFINRUKTJOSVMQ-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000345788062 1297339205 /nfs/dbraw/zinc/33/92/05/1297339205.db2.gz CFINRUKTJOSVMQ-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873208305 1297353168 /nfs/dbraw/zinc/35/31/68/1297353168.db2.gz SUJKHDHTTXEPOF-SFHVURJKSA-N 2 1 341.524 3.100 20 0 EGADMP CN(Cc1ccccc1)[C@H]1CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873208305 1297353180 /nfs/dbraw/zinc/35/31/80/1297353180.db2.gz SUJKHDHTTXEPOF-SFHVURJKSA-N 2 1 341.524 3.100 20 0 EGADMP CN(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873208305 1297353193 /nfs/dbraw/zinc/35/31/93/1297353193.db2.gz SUJKHDHTTXEPOF-SFHVURJKSA-N 2 1 341.524 3.100 20 0 EGADMP CC(C)c1ccc([C@H]([NH3+])CNCc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873211418 1297355492 /nfs/dbraw/zinc/35/54/92/1297355492.db2.gz ZVGZUEJTANYFAJ-GOSISDBHSA-N 2 1 329.513 3.307 20 0 EGADMP COc1ccc2c(c1)CC[N@H+](Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC000873210223 1297356166 /nfs/dbraw/zinc/35/61/66/1297356166.db2.gz ZMEJLOPPGOYGJT-UHFFFAOYSA-N 2 1 328.481 3.003 20 0 EGADMP COC[C@H]([NH2+][C@H](C)C[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000873222778 1297362587 /nfs/dbraw/zinc/36/25/87/1297362587.db2.gz FTPSUCKCBXXUNH-KCXAZCMYSA-N 2 1 341.293 3.257 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)C[C@H]1C(F)(F)F ZINC000873229144 1297369566 /nfs/dbraw/zinc/36/95/66/1297369566.db2.gz YABWFVJRXGIHIX-GOEBONIOSA-N 2 1 328.378 3.044 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCC3CC3)cc2)C[C@H]1C(F)(F)F ZINC000873229144 1297369579 /nfs/dbraw/zinc/36/95/79/1297369579.db2.gz YABWFVJRXGIHIX-GOEBONIOSA-N 2 1 328.378 3.044 20 0 EGADMP C[C@@H](CC[NH2+]C[C@H](O)c1ccccc1F)[N@H+](C)Cc1ccccc1 ZINC000379615095 1297534764 /nfs/dbraw/zinc/53/47/64/1297534764.db2.gz AEEIICZAIOTYTR-JXFKEZNVSA-N 2 1 330.447 3.359 20 0 EGADMP C[C@@H](CC[NH2+]C[C@H](O)c1ccccc1F)[N@@H+](C)Cc1ccccc1 ZINC000379615095 1297534772 /nfs/dbraw/zinc/53/47/72/1297534772.db2.gz AEEIICZAIOTYTR-JXFKEZNVSA-N 2 1 330.447 3.359 20 0 EGADMP CCCn1nccc1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000383455219 1297570976 /nfs/dbraw/zinc/57/09/76/1297570976.db2.gz KVJSGTOUBNYDNV-FQEVSTJZSA-N 2 1 326.488 3.295 20 0 EGADMP CCCn1nccc1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000383455219 1297570982 /nfs/dbraw/zinc/57/09/82/1297570982.db2.gz KVJSGTOUBNYDNV-FQEVSTJZSA-N 2 1 326.488 3.295 20 0 EGADMP c1ccc(C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc2)cc1 ZINC000393048624 1297664617 /nfs/dbraw/zinc/66/46/17/1297664617.db2.gz KVECPYGUQFKIDT-VSKRKVRLSA-N 2 1 336.479 3.423 20 0 EGADMP c1ccc(C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccccc2)cc1 ZINC000393048624 1297664630 /nfs/dbraw/zinc/66/46/30/1297664630.db2.gz KVECPYGUQFKIDT-VSKRKVRLSA-N 2 1 336.479 3.423 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1O ZINC000398229623 1297715334 /nfs/dbraw/zinc/71/53/34/1297715334.db2.gz ZGEYPYCDQDFBHS-VQIMIIECSA-N 2 1 340.467 3.401 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1O ZINC000398229623 1297715345 /nfs/dbraw/zinc/71/53/45/1297715345.db2.gz ZGEYPYCDQDFBHS-VQIMIIECSA-N 2 1 340.467 3.401 20 0 EGADMP CCC(CC)[C@H](C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000686218699 1298114667 /nfs/dbraw/zinc/11/46/67/1298114667.db2.gz CITUXYSEVJQZKK-PBHICJAKSA-N 2 1 341.540 3.198 20 0 EGADMP CCCN(C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000686811582 1298118124 /nfs/dbraw/zinc/11/81/24/1298118124.db2.gz WXIYJALMLAKVHW-UHFFFAOYSA-N 2 1 331.504 3.017 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3C)cc1)C(C)C ZINC000874840609 1298121180 /nfs/dbraw/zinc/12/11/80/1298121180.db2.gz PQCGRKAOJKYRRC-VQTJNVASSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1)C(C)C ZINC000874840609 1298121181 /nfs/dbraw/zinc/12/11/81/1298121181.db2.gz PQCGRKAOJKYRRC-VQTJNVASSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1)C(C)C ZINC000874840609 1298121182 /nfs/dbraw/zinc/12/11/82/1298121182.db2.gz PQCGRKAOJKYRRC-VQTJNVASSA-N 2 1 343.515 3.226 20 0 EGADMP c1ccc(C[NH+]2CCC3(CCN(C[C@@H]4CCC[NH2+]C4)CC3)CC2)cc1 ZINC000691915734 1298139630 /nfs/dbraw/zinc/13/96/30/1298139630.db2.gz CLHWMGLNQNEZMC-OAQYLSRUSA-N 2 1 341.543 3.364 20 0 EGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C(C)C ZINC000692154425 1298140167 /nfs/dbraw/zinc/14/01/67/1298140167.db2.gz RVQQVDJRDJJEBR-DLBZAZTESA-N 2 1 341.540 3.483 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000711105459 1298259583 /nfs/dbraw/zinc/25/95/83/1298259583.db2.gz HNNVRHDLMOFVKO-UNNPPQAFSA-N 2 1 343.515 3.014 20 0 EGADMP C[C@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000725893330 1298383303 /nfs/dbraw/zinc/38/33/03/1298383303.db2.gz XHTZEHOZOGKYGP-FGTMMUONSA-N 2 1 349.563 3.409 20 0 EGADMP c1ccc([C@@H]2C[C@H](NCC[NH+]3CCCCC3)CC[N@H+]2C2CC2)cc1 ZINC000877145582 1299180153 /nfs/dbraw/zinc/18/01/53/1299180153.db2.gz MCYOZVPENMIMSP-CTNGQTDRSA-N 2 1 327.516 3.430 20 0 EGADMP CSC(C)(C)CC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000877190399 1299201723 /nfs/dbraw/zinc/20/17/23/1299201723.db2.gz DJPVFMKSRSJYBK-SFHVURJKSA-N 2 1 336.545 3.265 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877444159 1299302397 /nfs/dbraw/zinc/30/23/97/1299302397.db2.gz JUEFWFDWSQETMT-AEFFLSMTSA-N 2 1 346.519 3.153 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877448023 1299308650 /nfs/dbraw/zinc/30/86/50/1299308650.db2.gz CAVMWIXWNKHQHZ-NZSAHSFTSA-N 2 1 335.536 3.007 20 0 EGADMP ClC1(Cl)C[C@H]1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000877476867 1299327420 /nfs/dbraw/zinc/32/74/20/1299327420.db2.gz PPOYGYVDFFIABL-JKSUJKDBSA-N 2 1 343.298 3.061 20 0 EGADMP ClC1(Cl)C[C@H]1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000877476867 1299327432 /nfs/dbraw/zinc/32/74/32/1299327432.db2.gz PPOYGYVDFFIABL-JKSUJKDBSA-N 2 1 343.298 3.061 20 0 EGADMP Cc1nnc(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)s1 ZINC000877537380 1299379152 /nfs/dbraw/zinc/37/91/52/1299379152.db2.gz LRIKFCAYWZSBIH-FUHWJXTLSA-N 2 1 342.512 3.347 20 0 EGADMP Cc1nnc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)s1 ZINC000877537380 1299379160 /nfs/dbraw/zinc/37/91/60/1299379160.db2.gz LRIKFCAYWZSBIH-FUHWJXTLSA-N 2 1 342.512 3.347 20 0 EGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000878197274 1299815312 /nfs/dbraw/zinc/81/53/12/1299815312.db2.gz MNGUJNHOGLTYQM-DFQSSKMNSA-N 2 1 343.515 3.153 20 0 EGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000878197274 1299815321 /nfs/dbraw/zinc/81/53/21/1299815321.db2.gz MNGUJNHOGLTYQM-DFQSSKMNSA-N 2 1 343.515 3.153 20 0 EGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000878197274 1299815332 /nfs/dbraw/zinc/81/53/32/1299815332.db2.gz MNGUJNHOGLTYQM-DFQSSKMNSA-N 2 1 343.515 3.153 20 0 EGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000878197274 1299815341 /nfs/dbraw/zinc/81/53/41/1299815341.db2.gz MNGUJNHOGLTYQM-DFQSSKMNSA-N 2 1 343.515 3.153 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000878445170 1300007865 /nfs/dbraw/zinc/00/78/65/1300007865.db2.gz DVIVIRWYZLIJQO-RLLQIKCJSA-N 2 1 328.500 3.446 20 0 EGADMP COC(=O)Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754462304 1300148956 /nfs/dbraw/zinc/14/89/56/1300148956.db2.gz FAHGKDPYTIDTMX-LPHOPBHVSA-N 2 1 344.499 3.145 20 0 EGADMP O[C@H](C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)c(F)c1 ZINC000878746850 1300172124 /nfs/dbraw/zinc/17/21/24/1300172124.db2.gz HIIIAGIZRNEJEV-GOSISDBHSA-N 2 1 349.837 3.120 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000755055048 1300274678 /nfs/dbraw/zinc/27/46/78/1300274678.db2.gz JNCUOCZFGNBEEQ-LJQANCHMSA-N 2 1 339.524 3.051 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000755055048 1300274686 /nfs/dbraw/zinc/27/46/86/1300274686.db2.gz JNCUOCZFGNBEEQ-LJQANCHMSA-N 2 1 339.524 3.051 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3ccc(-c4ccsc4)n3)C2)CC1 ZINC000755774247 1300395005 /nfs/dbraw/zinc/39/50/05/1300395005.db2.gz GRGARDZNVMNJMK-INIZCTEOSA-N 2 1 330.501 3.233 20 0 EGADMP C[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000880004855 1300844463 /nfs/dbraw/zinc/84/44/63/1300844463.db2.gz ZOUQAZQIQZCXFU-KRWDZBQOSA-N 2 1 342.405 3.293 20 0 EGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759843768 1301174708 /nfs/dbraw/zinc/17/47/08/1301174708.db2.gz IXQROJNYZIBZLG-QGZVFWFLSA-N 2 1 328.859 3.317 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759843768 1301174714 /nfs/dbraw/zinc/17/47/14/1301174714.db2.gz IXQROJNYZIBZLG-QGZVFWFLSA-N 2 1 328.859 3.317 20 0 EGADMP C[C@H]([NH2+]Cc1ccc2oc(=O)oc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000883084869 1302239665 /nfs/dbraw/zinc/23/96/65/1302239665.db2.gz CZJFTLUKPOMNQH-ZFWWWQNUSA-N 2 1 330.428 3.129 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc2c(c1)COC2 ZINC000765973107 1302361970 /nfs/dbraw/zinc/36/19/70/1302361970.db2.gz CMUKQFOPFOGKMJ-YWZLYKJASA-N 2 1 330.472 3.011 20 0 EGADMP C[NH+](C)CCCC1CC[NH+](Cn2ccc(-c3nccs3)n2)CC1 ZINC000766086225 1302384385 /nfs/dbraw/zinc/38/43/85/1302384385.db2.gz BQOPQPNQNLQQQU-UHFFFAOYSA-N 2 1 333.505 3.018 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)cc1 ZINC000883461833 1302451957 /nfs/dbraw/zinc/45/19/57/1302451957.db2.gz DYMQQHJDBYDERT-UXHICEINSA-N 2 1 346.515 3.266 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H]2COc3ccccc3O2)cc1 ZINC000768181618 1302847719 /nfs/dbraw/zinc/84/77/19/1302847719.db2.gz RVZQTCOEQSHTCQ-SFHVURJKSA-N 2 1 326.440 3.020 20 0 EGADMP CC[C@H](C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000769685193 1303157430 /nfs/dbraw/zinc/15/74/30/1303157430.db2.gz RCRYIROVIMKAAN-ARFHVFGLSA-N 2 1 327.513 3.142 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000769682854 1303157448 /nfs/dbraw/zinc/15/74/48/1303157448.db2.gz BGLNFLZBCSJLDD-YYIAUSFCSA-N 2 1 341.540 3.388 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000769682854 1303157450 /nfs/dbraw/zinc/15/74/50/1303157450.db2.gz BGLNFLZBCSJLDD-YYIAUSFCSA-N 2 1 341.540 3.388 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CC[N@H+](C)C1CCCC1)NC(=O)OC(C)(C)C ZINC000769688286 1303158802 /nfs/dbraw/zinc/15/88/02/1303158802.db2.gz OXHDEMKRVUUUMU-HUUCEWRRSA-N 2 1 327.513 3.142 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CC[N@@H+](C)C1CCCC1)NC(=O)OC(C)(C)C ZINC000769688286 1303158808 /nfs/dbraw/zinc/15/88/08/1303158808.db2.gz OXHDEMKRVUUUMU-HUUCEWRRSA-N 2 1 327.513 3.142 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000770510017 1303280392 /nfs/dbraw/zinc/28/03/92/1303280392.db2.gz HBSMZJDMAKHQDY-UHFFFAOYSA-N 2 1 339.524 3.096 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000885975297 1303305523 /nfs/dbraw/zinc/30/55/23/1303305523.db2.gz PKRCFUJUISPTGE-SFHVURJKSA-N 2 1 326.488 3.229 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000885975297 1303305528 /nfs/dbraw/zinc/30/55/28/1303305528.db2.gz PKRCFUJUISPTGE-SFHVURJKSA-N 2 1 326.488 3.229 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CN2C(=O)C(C)(C)C2(C)C)CC1)CC1CC1 ZINC000770688182 1303306692 /nfs/dbraw/zinc/30/66/92/1303306692.db2.gz WFJLEICAEIRQPV-UHFFFAOYSA-N 2 1 349.563 3.425 20 0 EGADMP O[C@@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000772217218 1303504865 /nfs/dbraw/zinc/50/48/65/1303504865.db2.gz JBFZYZFZVJUQSA-SNRMKQJTSA-N 2 1 334.891 3.322 20 0 EGADMP O[C@@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000772217218 1303504870 /nfs/dbraw/zinc/50/48/70/1303504870.db2.gz JBFZYZFZVJUQSA-SNRMKQJTSA-N 2 1 334.891 3.322 20 0 EGADMP O[C@@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000772217218 1303504874 /nfs/dbraw/zinc/50/48/74/1303504874.db2.gz JBFZYZFZVJUQSA-SNRMKQJTSA-N 2 1 334.891 3.322 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@H]3CCN(C4CCCCC4)C3=O)CC2)[nH+]c1C ZINC000886659828 1303542562 /nfs/dbraw/zinc/54/25/62/1303542562.db2.gz WMTDGNXJVUMBAZ-SFHVURJKSA-N 2 1 344.503 3.140 20 0 EGADMP Cc1[nH]c(C2CC[NH+](CCC(=O)NCC3CCCCC3)CC2)[nH+]c1C ZINC000886665716 1303545438 /nfs/dbraw/zinc/54/54/38/1303545438.db2.gz FAXRENZDNYHVDB-UHFFFAOYSA-N 2 1 346.519 3.293 20 0 EGADMP Cc1[nH]c(C2CC[NH+](Cc3cccc(C(=O)N(C)C)c3)CC2)[nH+]c1C ZINC000886668465 1303547695 /nfs/dbraw/zinc/54/76/95/1303547695.db2.gz UADBCHJRHGYVAJ-UHFFFAOYSA-N 2 1 340.471 3.108 20 0 EGADMP CC(C)COc1ccc(C(C)(C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000775394011 1303954998 /nfs/dbraw/zinc/95/49/98/1303954998.db2.gz ODTCIKBDOLZALS-SFHVURJKSA-N 2 1 334.504 3.003 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H](O)c1c(F)cccc1F ZINC000775411444 1303960526 /nfs/dbraw/zinc/96/05/26/1303960526.db2.gz FJPJLPMFCBIPFO-IEBWSBKVSA-N 2 1 338.442 3.241 20 0 EGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000779004756 1304517509 /nfs/dbraw/zinc/51/75/09/1304517509.db2.gz ZAAFTASIBMLULR-CVEARBPZSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H](NC(=O)CCCC[NH+]1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781203312 1304790396 /nfs/dbraw/zinc/79/03/96/1304790396.db2.gz DAIVEUDMTKIABK-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)CC1 ZINC000788489676 1305955411 /nfs/dbraw/zinc/95/54/11/1305955411.db2.gz ZSWMRWIESJOGMX-LJQANCHMSA-N 2 1 344.503 3.004 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+](C/C=C\c3cccc(F)c3)CC2)CC1 ZINC000894083279 1306208201 /nfs/dbraw/zinc/20/82/01/1306208201.db2.gz CNFBKMQKLQVJJW-XQRVVYSFSA-N 2 1 345.506 3.329 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)C2)cc1 ZINC000793207688 1309316802 /nfs/dbraw/zinc/31/68/02/1309316802.db2.gz RIZXEEAOYNEREL-NCXUSEDFSA-N 2 1 348.581 3.478 20 0 EGADMP C[NH+](C)CC1CC[NH+](Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000793585625 1309409991 /nfs/dbraw/zinc/40/99/91/1309409991.db2.gz WELGEQROEOVJQZ-UHFFFAOYSA-N 2 1 346.906 3.358 20 0 EGADMP CN(CCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000799177110 1310499829 /nfs/dbraw/zinc/49/98/29/1310499829.db2.gz LIPOIUPYEFACOG-UHFFFAOYSA-N 2 1 339.524 3.051 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(CCO)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898170886 1310612028 /nfs/dbraw/zinc/61/20/28/1310612028.db2.gz NHMYCJCVRYVHDA-PGRDOPGGSA-N 2 1 338.495 3.222 20 0 EGADMP Cc1ccc(N2CCC(C(=O)OCCC[NH+]3CCCCC3)CC2)[nH+]c1 ZINC000800147763 1310683057 /nfs/dbraw/zinc/68/30/57/1310683057.db2.gz AJCVIKLDNOHPBO-UHFFFAOYSA-N 2 1 345.487 3.026 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C)NC(=O)OC(C)(C)C ZINC000825331313 1320328850 /nfs/dbraw/zinc/32/88/50/1320328850.db2.gz CXRCDUIQBQNPTM-HUUCEWRRSA-N 2 1 327.513 3.142 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CC[N@H+]1CCCC1(C)C)NC(=O)OC(C)(C)C ZINC000825331313 1320328852 /nfs/dbraw/zinc/32/88/52/1320328852.db2.gz CXRCDUIQBQNPTM-HUUCEWRRSA-N 2 1 327.513 3.142 20 0 EGADMP CC[C@H](C)[NH+]1CCN(C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000857281323 1328525793 /nfs/dbraw/zinc/52/57/93/1328525793.db2.gz XQTAHXDHYGWOEI-PXNSSMCTSA-N 2 1 343.515 3.052 20 0 EGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)C1 ZINC000857282811 1328526351 /nfs/dbraw/zinc/52/63/51/1328526351.db2.gz IHSALDWGAAUEQA-UXHICEINSA-N 2 1 343.515 3.051 20 0 EGADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857282811 1328526352 /nfs/dbraw/zinc/52/63/52/1328526352.db2.gz IHSALDWGAAUEQA-UXHICEINSA-N 2 1 343.515 3.051 20 0 EGADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857282811 1328526353 /nfs/dbraw/zinc/52/63/53/1328526353.db2.gz IHSALDWGAAUEQA-UXHICEINSA-N 2 1 343.515 3.051 20 0 EGADMP Cc1[nH+]ccn1CCCOC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000801870003 1316959056 /nfs/dbraw/zinc/95/90/56/1316959056.db2.gz NSSWQWVOTDMYIX-UHFFFAOYSA-N 2 1 327.428 3.034 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001018938672 1316980697 /nfs/dbraw/zinc/98/06/97/1316980697.db2.gz XKONFROGQIJTLH-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+](Cc1cccc(-c2ccc(F)c(C[C@@H](C[NH3+])CO)c2)c1)C1CC1 ZINC000899323766 1316992774 /nfs/dbraw/zinc/99/27/74/1316992774.db2.gz IIFFHPYJTLLLQA-INIZCTEOSA-N 2 1 342.458 3.197 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001019274619 1317141116 /nfs/dbraw/zinc/14/11/16/1317141116.db2.gz IHXRDDFEOVHUMU-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001019464778 1317260468 /nfs/dbraw/zinc/26/04/68/1317260468.db2.gz PAQVJCOGWSDWLT-KRWDZBQOSA-N 2 1 346.519 3.023 20 0 EGADMP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900349542 1317280072 /nfs/dbraw/zinc/28/00/72/1317280072.db2.gz BPMSXQUMBSVWPQ-VQTJNVASSA-N 2 1 341.499 3.280 20 0 EGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000805772927 1317423012 /nfs/dbraw/zinc/42/30/12/1317423012.db2.gz PTIDGZZHGUUQIC-GOEBONIOSA-N 2 1 344.421 3.025 20 0 EGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000805772927 1317423016 /nfs/dbraw/zinc/42/30/16/1317423016.db2.gz PTIDGZZHGUUQIC-GOEBONIOSA-N 2 1 344.421 3.025 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1)c1ccccc1 ZINC001019825860 1317439769 /nfs/dbraw/zinc/43/97/69/1317439769.db2.gz RBRQYAPFJDAYEK-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001019822955 1317439946 /nfs/dbraw/zinc/43/99/46/1317439946.db2.gz RBYPYXOHHWHUQT-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000957568563 1317466543 /nfs/dbraw/zinc/46/65/43/1317466543.db2.gz LANGSLWCSZOUFA-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000806172736 1317469461 /nfs/dbraw/zinc/46/94/61/1317469461.db2.gz SMQJJUBTHIEGDT-RCBQFDQVSA-N 2 1 330.394 3.059 20 0 EGADMP CNc1ccc(C)cc1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000902302155 1317560399 /nfs/dbraw/zinc/56/03/99/1317560399.db2.gz PLUZLVFIJCMWAY-UHFFFAOYSA-N 2 1 339.487 3.202 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)C1 ZINC000902396214 1317572501 /nfs/dbraw/zinc/57/25/01/1317572501.db2.gz JCQVTEHCNSXTNG-HUUCEWRRSA-N 2 1 330.394 3.107 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cn1 ZINC000902503560 1317584565 /nfs/dbraw/zinc/58/45/65/1317584565.db2.gz SOWIVPNYXLLTMK-SOVGHPHASA-N 2 1 327.403 3.127 20 0 EGADMP CC[N@@H+](CC1CC(C)C1)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000957725603 1317591057 /nfs/dbraw/zinc/59/10/57/1317591057.db2.gz AUVGUQAENLDXFS-UUKMXZOPSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC1CC(C)C1)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000957725603 1317591062 /nfs/dbraw/zinc/59/10/62/1317591062.db2.gz AUVGUQAENLDXFS-UUKMXZOPSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC1CC(C)C1)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000957725603 1317591068 /nfs/dbraw/zinc/59/10/68/1317591068.db2.gz AUVGUQAENLDXFS-UUKMXZOPSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC(C[NH+](CC)C(C)C)CC2)C1 ZINC000957744360 1317609020 /nfs/dbraw/zinc/60/90/20/1317609020.db2.gz GZIYXMFKGIXNOK-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC(C[N@H+](CC)C(C)C)CC2)C1 ZINC000957744360 1317609029 /nfs/dbraw/zinc/60/90/29/1317609029.db2.gz GZIYXMFKGIXNOK-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC(C[N@@H+](CC)C(C)C)CC2)C1 ZINC000957744360 1317609036 /nfs/dbraw/zinc/60/90/36/1317609036.db2.gz GZIYXMFKGIXNOK-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)Cc3cc(OC)ccc32)CC1 ZINC000902766470 1317614885 /nfs/dbraw/zinc/61/48/85/1317614885.db2.gz LXVRCGKGZFATLW-FOIQADDNSA-N 2 1 332.488 3.019 20 0 EGADMP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000902789613 1317616731 /nfs/dbraw/zinc/61/67/31/1317616731.db2.gz LJCIHLGJBLESHS-PWRODBHTSA-N 2 1 330.516 3.488 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903101058 1317654022 /nfs/dbraw/zinc/65/40/22/1317654022.db2.gz ZJKMDYNZCFNRIP-CQSZACIVSA-N 2 1 336.480 3.007 20 0 EGADMP Cc1ccc(C2CC([NH2+][C@@H]3C[C@@]4(C[N@H+](C)[C@H]4C(C)C)C[C@H]3O)C2)cc1 ZINC000903115133 1317655465 /nfs/dbraw/zinc/65/54/65/1317655465.db2.gz LTEHOOOQUAFMKV-USCUULNTSA-N 2 1 342.527 3.310 20 0 EGADMP CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](CC)[C@@H]3C(C)C)C[C@H]2O)o1 ZINC000903119720 1317657445 /nfs/dbraw/zinc/65/74/45/1317657445.db2.gz JVIOIGSRSIABQB-UZKILMIQSA-N 2 1 334.504 3.362 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000903129627 1317660374 /nfs/dbraw/zinc/66/03/74/1317660374.db2.gz ZMRAMAQBTVIWEE-UJMXGEILSA-N 2 1 342.483 3.113 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)cc1 ZINC000903214065 1317675230 /nfs/dbraw/zinc/67/52/30/1317675230.db2.gz WRYVAZFBFWAEJZ-CLORWUCXSA-N 2 1 339.527 3.317 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cc1 ZINC000903214065 1317675236 /nfs/dbraw/zinc/67/52/36/1317675236.db2.gz WRYVAZFBFWAEJZ-CLORWUCXSA-N 2 1 339.527 3.317 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903214065 1317675241 /nfs/dbraw/zinc/67/52/41/1317675241.db2.gz WRYVAZFBFWAEJZ-CLORWUCXSA-N 2 1 339.527 3.317 20 0 EGADMP Cc1ccc(CN2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cc1 ZINC000903214065 1317675246 /nfs/dbraw/zinc/67/52/46/1317675246.db2.gz WRYVAZFBFWAEJZ-CLORWUCXSA-N 2 1 339.527 3.317 20 0 EGADMP Cc1ccc(CN2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903214065 1317675250 /nfs/dbraw/zinc/67/52/50/1317675250.db2.gz WRYVAZFBFWAEJZ-CLORWUCXSA-N 2 1 339.527 3.317 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C2CCOCC2)[C@@H](C)C1 ZINC000903244669 1317681689 /nfs/dbraw/zinc/68/16/89/1317681689.db2.gz ARMMGBRCCPFWMB-PKOBYXMFSA-N 2 1 340.552 3.166 20 0 EGADMP CCOCCOCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000929842295 1328716778 /nfs/dbraw/zinc/71/67/78/1328716778.db2.gz CECCLHWXEUISAT-LEWJYISDSA-N 2 1 346.515 3.026 20 0 EGADMP CCOCCOCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000929842295 1328716784 /nfs/dbraw/zinc/71/67/84/1328716784.db2.gz CECCLHWXEUISAT-LEWJYISDSA-N 2 1 346.515 3.026 20 0 EGADMP CCOCCOCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000929842295 1328716787 /nfs/dbraw/zinc/71/67/87/1328716787.db2.gz CECCLHWXEUISAT-LEWJYISDSA-N 2 1 346.515 3.026 20 0 EGADMP CCOCCOCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000929842295 1328716791 /nfs/dbraw/zinc/71/67/91/1328716791.db2.gz CECCLHWXEUISAT-LEWJYISDSA-N 2 1 346.515 3.026 20 0 EGADMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccnc(Cl)c1 ZINC000808719734 1317721762 /nfs/dbraw/zinc/72/17/62/1317721762.db2.gz IFJUTNIUMWQAGA-AWEZNQCLSA-N 2 1 348.878 3.311 20 0 EGADMP c1ccc2c(c1)CC[C@H]2[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903722751 1317725156 /nfs/dbraw/zinc/72/51/56/1317725156.db2.gz OKWIKWXFHQRYPU-UYAOXDASSA-N 2 1 326.484 3.297 20 0 EGADMP C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903728381 1317725495 /nfs/dbraw/zinc/72/54/95/1317725495.db2.gz ABVOLZLBEXJGFB-VQTJNVASSA-N 2 1 328.500 3.199 20 0 EGADMP CC[C@@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC[C@@H]1c1ccccc1 ZINC000903734952 1317726965 /nfs/dbraw/zinc/72/69/65/1317726965.db2.gz XVMLWJYZSLVEIM-HZEGPAAWSA-N 2 1 328.500 3.271 20 0 EGADMP Cc1ccc([C@H]2CSCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903730519 1317727435 /nfs/dbraw/zinc/72/74/35/1317727435.db2.gz WYEYYZMLVYJPOV-RBUKOAKNSA-N 2 1 346.540 3.244 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC[C@H]1c1ccccc1 ZINC000903735426 1317728111 /nfs/dbraw/zinc/72/81/11/1317728111.db2.gz ZUOPKCMZYAZODC-MISYRCLQSA-N 2 1 328.500 3.271 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3ccccc3)C2)C1 ZINC001020500034 1317730986 /nfs/dbraw/zinc/73/09/86/1317730986.db2.gz LTMDEBDBYJMMSJ-RNQOJCNYSA-N 2 1 343.515 3.106 20 0 EGADMP COc1ccc(F)cc1-c1cncc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000903759879 1317731141 /nfs/dbraw/zinc/73/11/41/1317731141.db2.gz STYHHRVJUODWOG-RHSMWYFYSA-N 2 1 343.446 3.313 20 0 EGADMP CCOCCOCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000929842299 1328718371 /nfs/dbraw/zinc/71/83/71/1328718371.db2.gz CECCLHWXEUISAT-RTWAWAEBSA-N 2 1 346.515 3.026 20 0 EGADMP CCOCCOCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000929842299 1328718377 /nfs/dbraw/zinc/71/83/77/1328718377.db2.gz CECCLHWXEUISAT-RTWAWAEBSA-N 2 1 346.515 3.026 20 0 EGADMP CCOCCOCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000929842299 1328718380 /nfs/dbraw/zinc/71/83/80/1328718380.db2.gz CECCLHWXEUISAT-RTWAWAEBSA-N 2 1 346.515 3.026 20 0 EGADMP CCOCCOCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000929842299 1328718384 /nfs/dbraw/zinc/71/83/84/1328718384.db2.gz CECCLHWXEUISAT-RTWAWAEBSA-N 2 1 346.515 3.026 20 0 EGADMP Cc1ccc([C@@H](C)[N@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000903880268 1317740897 /nfs/dbraw/zinc/74/08/97/1317740897.db2.gz OZUAYFZNWOCETG-IAGOWNOFSA-N 2 1 327.476 3.012 20 0 EGADMP Cc1ccc([C@@H](C)[N@@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000903880268 1317740904 /nfs/dbraw/zinc/74/09/04/1317740904.db2.gz OZUAYFZNWOCETG-IAGOWNOFSA-N 2 1 327.476 3.012 20 0 EGADMP FC(F)(F)c1ccn([C@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903912179 1317748021 /nfs/dbraw/zinc/74/80/21/1317748021.db2.gz ARFUMHWQPONKRR-DKUMPPAJSA-N 2 1 342.409 3.069 20 0 EGADMP [NH3+][C@@H](C[NH2+]Cc1ccccc1COCc1ccccc1)CC(F)F ZINC000903919623 1317748903 /nfs/dbraw/zinc/74/89/03/1317748903.db2.gz FLBBNHCAJQFBLE-GOSISDBHSA-N 2 1 334.410 3.476 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904405561 1317842944 /nfs/dbraw/zinc/84/29/44/1317842944.db2.gz OAOKNRNPHRNJPC-MRXNPFEDSA-N 2 1 346.906 3.372 20 0 EGADMP CC[C@@H](C)C[C@@H]([NH3+])c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000904552197 1317862294 /nfs/dbraw/zinc/86/22/94/1317862294.db2.gz NINFJWAJYDPIJU-CZUORRHYSA-N 2 1 332.448 3.113 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000809739036 1317885021 /nfs/dbraw/zinc/88/50/21/1317885021.db2.gz UYTXKGZHSOVZLP-UHFFFAOYSA-N 2 1 335.455 3.165 20 0 EGADMP Cc1cccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000905095269 1317923607 /nfs/dbraw/zinc/92/36/07/1317923607.db2.gz DCQKWNSPQGCOGA-UNMCSNQZSA-N 2 1 338.495 3.183 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(N2CCCCC2=O)cc1 ZINC000810129038 1317959030 /nfs/dbraw/zinc/95/90/30/1317959030.db2.gz RNPZWPUBJBXGKV-WMZOPIPTSA-N 2 1 329.488 3.338 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000810131226 1317959098 /nfs/dbraw/zinc/95/90/98/1317959098.db2.gz BPPOJOUZIKRLIF-HNNXBMFYSA-N 2 1 326.444 3.059 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001020906012 1317992031 /nfs/dbraw/zinc/99/20/31/1317992031.db2.gz CEQKZVMSRVCIFW-UFYCRDLUSA-N 2 1 343.515 3.078 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001021096236 1318079671 /nfs/dbraw/zinc/07/96/71/1318079671.db2.gz KAROTXGKBAEPTM-SOAMZJECSA-N 2 1 343.515 3.167 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC(C)(C)C1 ZINC001021380742 1318222781 /nfs/dbraw/zinc/22/27/81/1318222781.db2.gz SIIXCIJDBNFCPC-BPIHKTFHSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1 ZINC001021380742 1318222787 /nfs/dbraw/zinc/22/27/87/1318222787.db2.gz SIIXCIJDBNFCPC-BPIHKTFHSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1 ZINC001021380742 1318222793 /nfs/dbraw/zinc/22/27/93/1318222793.db2.gz SIIXCIJDBNFCPC-BPIHKTFHSA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+]1CCC(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCC2)CC1 ZINC001021401681 1318233236 /nfs/dbraw/zinc/23/32/36/1318233236.db2.gz UXWGGTUTKPMQQF-IHWFROFDSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858426628 1328759364 /nfs/dbraw/zinc/75/93/64/1328759364.db2.gz SBUVNKCEAMODQL-CQSZACIVSA-N 2 1 331.847 3.111 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000960095365 1318351031 /nfs/dbraw/zinc/35/10/31/1318351031.db2.gz BQJINEJFRCJSHA-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CCCC2)C1 ZINC000960098231 1318353449 /nfs/dbraw/zinc/35/34/49/1318353449.db2.gz BDODJNMEUSHOHK-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000812842509 1318469265 /nfs/dbraw/zinc/46/92/65/1318469265.db2.gz KEYQRYHXALTJKG-INIZCTEOSA-N 2 1 330.394 3.157 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000812842509 1318469269 /nfs/dbraw/zinc/46/92/69/1318469269.db2.gz KEYQRYHXALTJKG-INIZCTEOSA-N 2 1 330.394 3.157 20 0 EGADMP C[N@H+]1CC[C@@H](CNc2cc[nH+]c(CO)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000858461381 1328768710 /nfs/dbraw/zinc/76/87/10/1328768710.db2.gz SDBCFKGMBSCOCJ-UGSOOPFHSA-N 2 1 349.837 3.471 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC000960669267 1318785415 /nfs/dbraw/zinc/78/54/15/1318785415.db2.gz VARNOGLGASYLQU-PXNSSMCTSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC000960669267 1318785420 /nfs/dbraw/zinc/78/54/20/1318785420.db2.gz VARNOGLGASYLQU-PXNSSMCTSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000960669267 1318785430 /nfs/dbraw/zinc/78/54/30/1318785430.db2.gz VARNOGLGASYLQU-PXNSSMCTSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC000960669269 1318786057 /nfs/dbraw/zinc/78/60/57/1318786057.db2.gz VARNOGLGASYLQU-YLJYHZDGSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC000960669269 1318786063 /nfs/dbraw/zinc/78/60/63/1318786063.db2.gz VARNOGLGASYLQU-YLJYHZDGSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000960669269 1318786069 /nfs/dbraw/zinc/78/60/69/1318786069.db2.gz VARNOGLGASYLQU-YLJYHZDGSA-N 2 1 343.515 3.155 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC000960679220 1318789280 /nfs/dbraw/zinc/78/92/80/1318789280.db2.gz CERVBQSGGQCNTK-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC000960679220 1318789283 /nfs/dbraw/zinc/78/92/83/1318789283.db2.gz CERVBQSGGQCNTK-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC000960679220 1318789289 /nfs/dbraw/zinc/78/92/89/1318789289.db2.gz CERVBQSGGQCNTK-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(C)ccc1C)[NH+](C)C ZINC000960709511 1318813939 /nfs/dbraw/zinc/81/39/39/1318813939.db2.gz LYQPVIBYRDPFED-WOJBJXKFSA-N 2 1 345.531 3.066 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001022165038 1318825811 /nfs/dbraw/zinc/82/58/11/1318825811.db2.gz STMINAKGVXDRIW-RSPOEFSDSA-N 2 1 343.515 3.167 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc[nH+]c(CO)c1 ZINC000858534206 1328790765 /nfs/dbraw/zinc/79/07/65/1328790765.db2.gz XLWGTHIEHCLWIV-IBGZPJMESA-N 2 1 325.456 3.287 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001022201676 1318840624 /nfs/dbraw/zinc/84/06/24/1318840624.db2.gz KXKLGUZBZVOGGS-WSTZPKSXSA-N 2 1 347.547 3.211 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC2CCCCC2)CC[N@H+]1C ZINC000960822809 1318949396 /nfs/dbraw/zinc/94/93/96/1318949396.db2.gz NEKWKAGGTVSKFJ-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCCCC2)CC[NH+]1C ZINC000960822809 1318949408 /nfs/dbraw/zinc/94/94/08/1318949408.db2.gz NEKWKAGGTVSKFJ-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCCCC2)CC[NH+]1C ZINC000960822809 1318949417 /nfs/dbraw/zinc/94/94/17/1318949417.db2.gz NEKWKAGGTVSKFJ-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1)CC1CCCCCC1 ZINC000960840612 1318975649 /nfs/dbraw/zinc/97/56/49/1318975649.db2.gz YEHXADNGIPHUPC-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815577945 1319019228 /nfs/dbraw/zinc/01/92/28/1319019228.db2.gz DIAMHIPRITVTTB-CVEARBPZSA-N 2 1 331.460 3.026 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CC(C)C2)CC1 ZINC000960960538 1319091439 /nfs/dbraw/zinc/09/14/39/1319091439.db2.gz XAQYHEYHZBDWDW-QLOJAFMTSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001022807500 1319118741 /nfs/dbraw/zinc/11/87/41/1319118741.db2.gz IODDPIUMNCEKFW-OTWHNJEPSA-N 2 1 335.536 3.066 20 0 EGADMP CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC000961170691 1319288683 /nfs/dbraw/zinc/28/86/83/1319288683.db2.gz QVBWEORPMJEXHO-HOTGVXAUSA-N 2 1 349.544 3.004 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961189314 1319304598 /nfs/dbraw/zinc/30/45/98/1319304598.db2.gz ZCEFJLPCGMVZTK-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961270630 1319421648 /nfs/dbraw/zinc/42/16/48/1319421648.db2.gz LOGWRIBXNDEPIG-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP Cn1c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc2cc(F)ccc21 ZINC000817903809 1319456391 /nfs/dbraw/zinc/45/63/91/1319456391.db2.gz LLIXODPDJFJMOC-BZUAXINKSA-N 2 1 330.451 3.113 20 0 EGADMP CC[NH+](CC)Cc1cc([C@H](C)N[C@H]2CC[NH2+][C@H](C)C2)ccc1OC ZINC000817972065 1319481316 /nfs/dbraw/zinc/48/13/16/1319481316.db2.gz SVPNASZJWAZUCW-GJYPPUQNSA-N 2 1 333.520 3.328 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](CCC3CCCC3)C2)CC[N@H+]1C ZINC001023381084 1319487503 /nfs/dbraw/zinc/48/75/03/1319487503.db2.gz MVVWBKZMSJNOLI-HSALFYBXSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+](CCC3CCCC3)C2)CC[NH+]1C ZINC001023381084 1319487514 /nfs/dbraw/zinc/48/75/14/1319487514.db2.gz MVVWBKZMSJNOLI-HSALFYBXSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CCC3CCCC3)C2)CC[NH+]1C ZINC001023381084 1319487520 /nfs/dbraw/zinc/48/75/20/1319487520.db2.gz MVVWBKZMSJNOLI-HSALFYBXSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000818964963 1319594814 /nfs/dbraw/zinc/59/48/14/1319594814.db2.gz AUEIHFCUCAPVTN-BZNIZROVSA-N 2 1 342.270 3.458 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000818981744 1319603919 /nfs/dbraw/zinc/60/39/19/1319603919.db2.gz XZLWOXUBLCTNAV-XJKSGUPXSA-N 2 1 330.394 3.060 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000818984419 1319605291 /nfs/dbraw/zinc/60/52/91/1319605291.db2.gz HBIJUPCSUNIUQI-PBHICJAKSA-N 2 1 344.421 3.449 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552895 1319663050 /nfs/dbraw/zinc/66/30/50/1319663050.db2.gz QNASSHADSWKBKY-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552895 1319663058 /nfs/dbraw/zinc/66/30/58/1319663058.db2.gz QNASSHADSWKBKY-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552895 1319663064 /nfs/dbraw/zinc/66/30/64/1319663064.db2.gz QNASSHADSWKBKY-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000819348018 1319705684 /nfs/dbraw/zinc/70/56/84/1319705684.db2.gz FKSDPECAGITDTC-HOTGVXAUSA-N 2 1 345.314 3.043 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000819348018 1319705693 /nfs/dbraw/zinc/70/56/93/1319705693.db2.gz FKSDPECAGITDTC-HOTGVXAUSA-N 2 1 345.314 3.043 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC000962023719 1319803025 /nfs/dbraw/zinc/80/30/25/1319803025.db2.gz GLSMMLQLGXFADY-NKELODKYSA-N 2 1 349.563 3.027 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC=C(C)C)C1 ZINC001023696410 1319819371 /nfs/dbraw/zinc/81/93/71/1319819371.db2.gz MLEICTQWJAZIPA-WOJBJXKFSA-N 2 1 349.563 3.435 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC=C(C)C)C1 ZINC001023696410 1319819386 /nfs/dbraw/zinc/81/93/86/1319819386.db2.gz MLEICTQWJAZIPA-WOJBJXKFSA-N 2 1 349.563 3.435 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001023696410 1319819393 /nfs/dbraw/zinc/81/93/93/1319819393.db2.gz MLEICTQWJAZIPA-WOJBJXKFSA-N 2 1 349.563 3.435 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC=C(C)C)C1 ZINC001023696408 1319821687 /nfs/dbraw/zinc/82/16/87/1319821687.db2.gz MLEICTQWJAZIPA-UXHICEINSA-N 2 1 349.563 3.435 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC=C(C)C)C1 ZINC001023696408 1319821698 /nfs/dbraw/zinc/82/16/98/1319821698.db2.gz MLEICTQWJAZIPA-UXHICEINSA-N 2 1 349.563 3.435 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001023696408 1319821707 /nfs/dbraw/zinc/82/17/07/1319821707.db2.gz MLEICTQWJAZIPA-UXHICEINSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763103 1319910323 /nfs/dbraw/zinc/91/03/23/1319910323.db2.gz CRRWRLMYSAMBOK-SFHVURJKSA-N 2 1 345.531 3.236 20 0 EGADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(C[NH+]2CCCCC2)o1 ZINC000824366002 1320250837 /nfs/dbraw/zinc/25/08/37/1320250837.db2.gz GIGWUILISPWYTQ-ROUUACIJSA-N 2 1 345.487 3.012 20 0 EGADMP CCn1nc(C)c(C[NH+]2CCC(CC[N@H+](CC)CC(C)C)CC2)n1 ZINC000824389290 1320253441 /nfs/dbraw/zinc/25/34/41/1320253441.db2.gz JGYYVKJLXLKZJC-UHFFFAOYSA-N 2 1 335.540 3.186 20 0 EGADMP CCn1nc(C)c(C[NH+]2CCC(CC[N@@H+](CC)CC(C)C)CC2)n1 ZINC000824389290 1320253446 /nfs/dbraw/zinc/25/34/46/1320253446.db2.gz JGYYVKJLXLKZJC-UHFFFAOYSA-N 2 1 335.540 3.186 20 0 EGADMP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000825331926 1320328174 /nfs/dbraw/zinc/32/81/74/1320328174.db2.gz NUVXPXLWNJVEPQ-GJZGRUSLSA-N 2 1 346.462 3.208 20 0 EGADMP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000825331926 1320328178 /nfs/dbraw/zinc/32/81/78/1320328178.db2.gz NUVXPXLWNJVEPQ-GJZGRUSLSA-N 2 1 346.462 3.208 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000839480079 1320927061 /nfs/dbraw/zinc/92/70/61/1320927061.db2.gz OZYOJDXGTHRQSF-FQEVSTJZSA-N 2 1 344.499 3.257 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213855 1328948521 /nfs/dbraw/zinc/94/85/21/1328948521.db2.gz KGCAPTHJWVBAHD-INIZCTEOSA-N 2 1 325.456 3.207 20 0 EGADMP Cc1cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n(C)n1 ZINC000841858019 1321324542 /nfs/dbraw/zinc/32/45/42/1321324542.db2.gz XZPOMTIGZGTQRX-UHFFFAOYSA-N 2 1 341.503 3.119 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213855 1328948526 /nfs/dbraw/zinc/94/85/26/1328948526.db2.gz KGCAPTHJWVBAHD-INIZCTEOSA-N 2 1 325.456 3.207 20 0 EGADMP CC[N@@H+](C[C@H](O)c1ccc(C)cc1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000842473174 1321393181 /nfs/dbraw/zinc/39/31/81/1321393181.db2.gz QKCVXORCDIRKRH-CTNGQTDRSA-N 2 1 342.483 3.101 20 0 EGADMP O[C@@H](C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1)c1cccs1 ZINC000842472903 1321393308 /nfs/dbraw/zinc/39/33/08/1321393308.db2.gz KJDISXYCGKBYDV-WMZOPIPTSA-N 2 1 330.497 3.283 20 0 EGADMP C[N@@H+](CCCC[NH2+]Cc1cc(Br)cnc1Cl)C1CC1 ZINC000842712255 1321423098 /nfs/dbraw/zinc/42/30/98/1321423098.db2.gz KSJDKOAAVULONL-UHFFFAOYSA-N 2 1 346.700 3.462 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)c2cc1C(C)C ZINC000843347777 1321503530 /nfs/dbraw/zinc/50/35/30/1321503530.db2.gz LUTPOQZJBSGOLF-HNNXBMFYSA-N 2 1 328.456 3.396 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H](C[NH3+])C3)c2cc1C(C)C ZINC000843347777 1321503533 /nfs/dbraw/zinc/50/35/33/1321503533.db2.gz LUTPOQZJBSGOLF-HNNXBMFYSA-N 2 1 328.456 3.396 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000844280905 1321584978 /nfs/dbraw/zinc/58/49/78/1321584978.db2.gz XTGOFXMFODVADH-HOTGVXAUSA-N 2 1 345.314 3.043 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000844280905 1321584981 /nfs/dbraw/zinc/58/49/81/1321584981.db2.gz XTGOFXMFODVADH-HOTGVXAUSA-N 2 1 345.314 3.043 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(Br)nc1 ZINC000844924309 1321658162 /nfs/dbraw/zinc/65/81/62/1321658162.db2.gz OJNZGONORGTMPX-JTQLQIEISA-N 2 1 338.224 3.293 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])c2cc1C ZINC000846225463 1321778514 /nfs/dbraw/zinc/77/85/14/1321778514.db2.gz BTOACIOSDSPBTP-SCLBCKFNSA-N 2 1 328.456 3.359 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000846831303 1321813643 /nfs/dbraw/zinc/81/36/43/1321813643.db2.gz IOIDVRDPPCMXDA-IEBWSBKVSA-N 2 1 331.435 3.080 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000846831303 1321813648 /nfs/dbraw/zinc/81/36/48/1321813648.db2.gz IOIDVRDPPCMXDA-IEBWSBKVSA-N 2 1 331.435 3.080 20 0 EGADMP BrC1(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000846878075 1321819443 /nfs/dbraw/zinc/81/94/43/1321819443.db2.gz AXBJWADJECQOFB-UHFFFAOYSA-N 2 1 338.293 3.326 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)CCO1 ZINC000930861092 1328990214 /nfs/dbraw/zinc/99/02/14/1328990214.db2.gz DCCLSGFCKJBGBI-DCXXXQMHSA-N 2 1 346.515 3.295 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CCO1 ZINC000930861092 1328990231 /nfs/dbraw/zinc/99/02/31/1328990231.db2.gz DCCLSGFCKJBGBI-DCXXXQMHSA-N 2 1 346.515 3.295 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CCO1 ZINC000930861092 1328990234 /nfs/dbraw/zinc/99/02/34/1328990234.db2.gz DCCLSGFCKJBGBI-DCXXXQMHSA-N 2 1 346.515 3.295 20 0 EGADMP c1cc([NH+]2CCCCC2)ccc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848538135 1321971942 /nfs/dbraw/zinc/97/19/42/1321971942.db2.gz SGMUGIHSUNTFJL-HXUWFJFHSA-N 2 1 329.488 3.342 20 0 EGADMP CC[C@H](C)NC(=[NH2+])NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000849012896 1322058120 /nfs/dbraw/zinc/05/81/20/1322058120.db2.gz QFHADNVGTRHFTD-DOTOQJQBSA-N 2 1 332.492 3.135 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000849105405 1322080158 /nfs/dbraw/zinc/08/01/58/1322080158.db2.gz KPZVDLHEYFYQMY-SLFFLAALSA-N 2 1 336.483 3.294 20 0 EGADMP CC1(C)CCC[N@H+]1CCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849117021 1322084584 /nfs/dbraw/zinc/08/45/84/1322084584.db2.gz QDKXMXQWDBFCMT-UHFFFAOYSA-N 2 1 344.381 3.396 20 0 EGADMP CCOC(=O)NC1CCC([NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000850425400 1322246228 /nfs/dbraw/zinc/24/62/28/1322246228.db2.gz LZRRDOHMWSCXTR-LOTPSLMQSA-N 2 1 339.524 3.144 20 0 EGADMP CC[C@H](C[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000921525156 1322338981 /nfs/dbraw/zinc/33/89/81/1322338981.db2.gz OKEYLJPJPZPWKX-BRWVUGGUSA-N 2 1 339.524 3.144 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921624611 1322365319 /nfs/dbraw/zinc/36/53/19/1322365319.db2.gz KTAYMYAAMIQOMZ-ZACQAIPSSA-N 2 1 339.524 3.001 20 0 EGADMP Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923322115 1322734115 /nfs/dbraw/zinc/73/41/15/1322734115.db2.gz JWHBSIKUXLBGRN-NXEWRWPSSA-N 2 1 330.520 3.275 20 0 EGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1)C1CCCC1 ZINC000923423528 1322749196 /nfs/dbraw/zinc/74/91/96/1322749196.db2.gz XIHARZROWQGTOF-YSGRDPCXSA-N 2 1 334.479 3.479 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000923479700 1322759808 /nfs/dbraw/zinc/75/98/08/1322759808.db2.gz BKCKLEYCYZHTKS-AWEZNQCLSA-N 2 1 330.863 3.276 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)OC[C@@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000851468399 1323047232 /nfs/dbraw/zinc/04/72/32/1323047232.db2.gz MASAUXVRGQSWLV-FQEVSTJZSA-N 2 1 338.451 3.180 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)OC[C@@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000851468399 1323047236 /nfs/dbraw/zinc/04/72/36/1323047236.db2.gz MASAUXVRGQSWLV-FQEVSTJZSA-N 2 1 338.451 3.180 20 0 EGADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000924573295 1323059111 /nfs/dbraw/zinc/05/91/11/1323059111.db2.gz HKBLENJWGUTIFG-HXUWFJFHSA-N 2 1 344.499 3.100 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001023984580 1323065309 /nfs/dbraw/zinc/06/53/09/1323065309.db2.gz GHBHYVRCRSNYJY-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001023984730 1323065597 /nfs/dbraw/zinc/06/55/97/1323065597.db2.gz JKBNEPSMAWYFMQ-PKOBYXMFSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2COC(C)(C)O2)CCN1Cc1ccccc1 ZINC000851803915 1323092135 /nfs/dbraw/zinc/09/21/35/1323092135.db2.gz WPNVXHMPNSQXDX-NZSAHSFTSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C[C@@H]2COC(C)(C)O2)CC[N@@H+]1Cc1ccccc1 ZINC000851803915 1323092147 /nfs/dbraw/zinc/09/21/47/1323092147.db2.gz WPNVXHMPNSQXDX-NZSAHSFTSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C[C@@H]2COC(C)(C)O2)CC[N@H+]1Cc1ccccc1 ZINC000851803915 1323092153 /nfs/dbraw/zinc/09/21/53/1323092153.db2.gz WPNVXHMPNSQXDX-NZSAHSFTSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2COC(C)(C)O2)CC[N@@H+]1Cc1ccccc1 ZINC000851803915 1323092164 /nfs/dbraw/zinc/09/21/64/1323092164.db2.gz WPNVXHMPNSQXDX-NZSAHSFTSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2COC(C)(C)O2)CC[N@H+]1Cc1ccccc1 ZINC000851803915 1323092171 /nfs/dbraw/zinc/09/21/71/1323092171.db2.gz WPNVXHMPNSQXDX-NZSAHSFTSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2COC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000851803915 1323092179 /nfs/dbraw/zinc/09/21/79/1323092179.db2.gz WPNVXHMPNSQXDX-NZSAHSFTSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2COC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000851803915 1323092186 /nfs/dbraw/zinc/09/21/86/1323092186.db2.gz WPNVXHMPNSQXDX-NZSAHSFTSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cnnn1-c1ccccc1 ZINC000924688271 1323113714 /nfs/dbraw/zinc/11/37/14/1323113714.db2.gz SIWBMPOEEPZUHF-ROUUACIJSA-N 2 1 341.503 3.430 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1COC(C)(C)O1 ZINC000851948532 1323121237 /nfs/dbraw/zinc/12/12/37/1323121237.db2.gz WWAZNWPSNPIYDH-NZSAHSFTSA-N 2 1 332.488 3.028 20 0 EGADMP CC(C)[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001024118749 1323148771 /nfs/dbraw/zinc/14/87/71/1323148771.db2.gz KAPWSZZUTSDPBS-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000852114339 1323150232 /nfs/dbraw/zinc/15/02/32/1323150232.db2.gz RGOMKETVECKXAI-GOSISDBHSA-N 2 1 341.499 3.115 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000852114339 1323150239 /nfs/dbraw/zinc/15/02/39/1323150239.db2.gz RGOMKETVECKXAI-GOSISDBHSA-N 2 1 341.499 3.115 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+][C@H](CC(=O)N(C)C)c2ccccc2)CC1 ZINC000924773008 1323155117 /nfs/dbraw/zinc/15/51/17/1323155117.db2.gz HAUWHYKLYUTGLX-HXUWFJFHSA-N 2 1 345.531 3.306 20 0 EGADMP O[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000852745424 1323233963 /nfs/dbraw/zinc/23/39/63/1323233963.db2.gz UYFNQLJINKWIJG-VXKWHMMOSA-N 2 1 336.479 3.420 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1 ZINC001024437869 1323397153 /nfs/dbraw/zinc/39/71/53/1323397153.db2.gz XVURNPSBZZPVTD-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024437869 1323397157 /nfs/dbraw/zinc/39/71/57/1323397157.db2.gz XVURNPSBZZPVTD-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024437869 1323397162 /nfs/dbraw/zinc/39/71/62/1323397162.db2.gz XVURNPSBZZPVTD-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1 ZINC001024437868 1323397258 /nfs/dbraw/zinc/39/72/58/1323397258.db2.gz XVURNPSBZZPVTD-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024437868 1323397262 /nfs/dbraw/zinc/39/72/62/1323397262.db2.gz XVURNPSBZZPVTD-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024437868 1323397266 /nfs/dbraw/zinc/39/72/66/1323397266.db2.gz XVURNPSBZZPVTD-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCCC2CCC2)CC[N@H+]1C ZINC001024448326 1323408076 /nfs/dbraw/zinc/40/80/76/1323408076.db2.gz JKUSHFJYLURRFR-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCCC2CCC2)CC[NH+]1C ZINC001024448326 1323408080 /nfs/dbraw/zinc/40/80/80/1323408080.db2.gz JKUSHFJYLURRFR-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CCCC2CCC2)CC[NH+]1C ZINC001024448326 1323408085 /nfs/dbraw/zinc/40/80/85/1323408085.db2.gz JKUSHFJYLURRFR-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024467781 1323423263 /nfs/dbraw/zinc/42/32/63/1323423263.db2.gz HCFJENDUWLBYGG-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001024467781 1323423267 /nfs/dbraw/zinc/42/32/67/1323423267.db2.gz HCFJENDUWLBYGG-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC(C)(C)C ZINC001024467781 1323423270 /nfs/dbraw/zinc/42/32/70/1323423270.db2.gz HCFJENDUWLBYGG-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1 ZINC001024469566 1323424773 /nfs/dbraw/zinc/42/47/73/1323424773.db2.gz SZGMWHMGWTZBSB-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024469566 1323424781 /nfs/dbraw/zinc/42/47/81/1323424781.db2.gz SZGMWHMGWTZBSB-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024469566 1323424785 /nfs/dbraw/zinc/42/47/85/1323424785.db2.gz SZGMWHMGWTZBSB-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCCC1 ZINC001024513428 1323464316 /nfs/dbraw/zinc/46/43/16/1323464316.db2.gz PTCCGYKDCCDACS-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCC1CCCC1 ZINC001024513428 1323464317 /nfs/dbraw/zinc/46/43/17/1323464317.db2.gz PTCCGYKDCCDACS-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCC1CCCC1 ZINC001024513428 1323464323 /nfs/dbraw/zinc/46/43/23/1323464323.db2.gz PTCCGYKDCCDACS-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1 ZINC001024522565 1323470592 /nfs/dbraw/zinc/47/05/92/1323470592.db2.gz GUYUNSNIAIFWBO-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024522565 1323470597 /nfs/dbraw/zinc/47/05/97/1323470597.db2.gz GUYUNSNIAIFWBO-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024522565 1323470602 /nfs/dbraw/zinc/47/06/02/1323470602.db2.gz GUYUNSNIAIFWBO-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC2CCCC2)C1 ZINC001024613874 1323541950 /nfs/dbraw/zinc/54/19/50/1323541950.db2.gz CXTSZRVBNXVIKL-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC2CCCC2)C1 ZINC001024613874 1323541959 /nfs/dbraw/zinc/54/19/59/1323541959.db2.gz CXTSZRVBNXVIKL-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CC2CCCC2)C1 ZINC001024613874 1323541965 /nfs/dbraw/zinc/54/19/65/1323541965.db2.gz CXTSZRVBNXVIKL-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC2=CCCCC2)CC[N@H+]1C ZINC001024619693 1323547721 /nfs/dbraw/zinc/54/77/21/1323547721.db2.gz AMKJZMMZNGWSPM-YSIASYRMSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC2=CCCCC2)CC[NH+]1C ZINC001024619693 1323547728 /nfs/dbraw/zinc/54/77/28/1323547728.db2.gz AMKJZMMZNGWSPM-YSIASYRMSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CC2=CCCCC2)CC[NH+]1C ZINC001024619693 1323547735 /nfs/dbraw/zinc/54/77/35/1323547735.db2.gz AMKJZMMZNGWSPM-YSIASYRMSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001024624596 1323552651 /nfs/dbraw/zinc/55/26/51/1323552651.db2.gz VVEOKSBMXVVROS-KRWDZBQOSA-N 2 1 349.519 3.362 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CCCC[N@H+]1CCC(C)(C)C ZINC001024624596 1323552659 /nfs/dbraw/zinc/55/26/59/1323552659.db2.gz VVEOKSBMXVVROS-KRWDZBQOSA-N 2 1 349.519 3.362 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CC1 ZINC001024692941 1323608656 /nfs/dbraw/zinc/60/86/56/1323608656.db2.gz UIVWDILONIBIRE-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CC1 ZINC001024692941 1323608660 /nfs/dbraw/zinc/60/86/60/1323608660.db2.gz UIVWDILONIBIRE-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CC1 ZINC001024692941 1323608665 /nfs/dbraw/zinc/60/86/65/1323608665.db2.gz UIVWDILONIBIRE-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H](F)CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814064 1323717653 /nfs/dbraw/zinc/71/76/53/1323717653.db2.gz NWJKMLCBWNBLTC-WMZOPIPTSA-N 2 1 349.494 3.081 20 0 EGADMP CC[C@H](F)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814894 1323718669 /nfs/dbraw/zinc/71/86/69/1323718669.db2.gz YACKTOZYDCTZOX-ROUUACIJSA-N 2 1 349.494 3.081 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001024978898 1323810678 /nfs/dbraw/zinc/81/06/78/1323810678.db2.gz JCXIBZSCCRZPMG-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001024979675 1323812296 /nfs/dbraw/zinc/81/22/96/1323812296.db2.gz VOMDTLYXKWTTQY-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025273935 1324090135 /nfs/dbraw/zinc/09/01/35/1324090135.db2.gz IKTCLMARPBTUNV-ZWKOTPCHSA-N 2 1 346.519 3.262 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025273935 1324090141 /nfs/dbraw/zinc/09/01/41/1324090141.db2.gz IKTCLMARPBTUNV-ZWKOTPCHSA-N 2 1 346.519 3.262 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275073 1324094151 /nfs/dbraw/zinc/09/41/51/1324094151.db2.gz RYZNRSAAJGYDNI-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025461291 1324305407 /nfs/dbraw/zinc/30/54/07/1324305407.db2.gz RWCJXJVEUXOWIN-WBVHZDCISA-N 2 1 342.487 3.273 20 0 EGADMP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001025525417 1324371935 /nfs/dbraw/zinc/37/19/35/1324371935.db2.gz NYJXYVKACLLQLC-XLIONFOSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001025630417 1324481805 /nfs/dbraw/zinc/48/18/05/1324481805.db2.gz SQNHPICNGOYIDN-IRXDYDNUSA-N 2 1 349.519 3.362 20 0 EGADMP O=C(NC1CCC([NH2+]CC2CCC2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001026507340 1324855615 /nfs/dbraw/zinc/85/56/15/1324855615.db2.gz PSMJMLFGZUDLNY-AFMYVXGZSA-N 2 1 347.547 3.211 20 0 EGADMP C([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853242015 1325070363 /nfs/dbraw/zinc/07/03/63/1325070363.db2.gz ZADQMXDKOZPNMT-VQHPVUNQSA-N 2 1 326.575 3.078 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CCC([NH2+]CC3CCCC3)CC2)CC[N@H+]1C ZINC000963338103 1325129011 /nfs/dbraw/zinc/12/90/11/1325129011.db2.gz PQQFYLVLKFEJTR-GHBBCFCZSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC3CCCCCC3)C2)CC[N@H+]1C ZINC001027021620 1325159012 /nfs/dbraw/zinc/15/90/12/1325159012.db2.gz RGGKTVNYFLJRCY-IHPCNDPISA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCC2CC2)CC1 ZINC000963385241 1325185382 /nfs/dbraw/zinc/18/53/82/1325185382.db2.gz BFMDCADJWFXIRC-ACBHZAAOSA-N 2 1 335.536 3.020 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN[C@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925522056 1325188604 /nfs/dbraw/zinc/18/86/04/1325188604.db2.gz QMQDWLVOGFMHHD-UXHICEINSA-N 2 1 327.516 3.163 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C23CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000925542711 1325200214 /nfs/dbraw/zinc/20/02/14/1325200214.db2.gz OICBEPHAFORGGZ-RLLQIKCJSA-N 2 1 327.516 3.304 20 0 EGADMP N[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C12CCC2 ZINC000925560022 1325209200 /nfs/dbraw/zinc/20/92/00/1325209200.db2.gz VYPMQWOALLEQJO-MOPGFXCFSA-N 2 1 347.934 3.412 20 0 EGADMP CN(C)[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1cccc(C(F)(F)F)c1 ZINC000925642953 1325244758 /nfs/dbraw/zinc/24/47/58/1325244758.db2.gz UOBIKTBUOBUIDT-BZUAXINKSA-N 2 1 341.421 3.168 20 0 EGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000925794667 1325303675 /nfs/dbraw/zinc/30/36/75/1325303675.db2.gz VQLGLDZEXANFIQ-QYZOEREBSA-N 2 1 343.515 3.165 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC1CCCCC1)C2 ZINC000963631801 1325348336 /nfs/dbraw/zinc/34/83/36/1325348336.db2.gz MAHORNBNILCBLV-MBEFBZSESA-N 2 1 347.547 3.068 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CCC([NH2+]Cc2ccsc2)CC1 ZINC000963907199 1325429973 /nfs/dbraw/zinc/42/99/73/1325429973.db2.gz DGYAMHMFMJWPAS-FAEJEUNOSA-N 2 1 349.544 3.092 20 0 EGADMP Cc1ccc(CN[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(N2CCCC2)n1 ZINC000926121102 1325436120 /nfs/dbraw/zinc/43/61/20/1325436120.db2.gz LMBFIQLIFCFFSQ-RTBURBONSA-N 2 1 328.504 3.097 20 0 EGADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000964186527 1325486491 /nfs/dbraw/zinc/48/64/91/1325486491.db2.gz UDRDEDKJOSCANE-HDYDNRTBSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)[C@H](O)c1ccccc1 ZINC000926330125 1325518284 /nfs/dbraw/zinc/51/82/84/1325518284.db2.gz CWXBKZXIEDFFNO-JAGQDSLRSA-N 2 1 346.515 3.120 20 0 EGADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NCC[NH+]3CCCCCC3)c2)C1 ZINC000856926358 1325541142 /nfs/dbraw/zinc/54/11/42/1325541142.db2.gz BWFKOWJHHBGWED-HXUWFJFHSA-N 2 1 343.515 3.102 20 0 EGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857120953 1325575499 /nfs/dbraw/zinc/57/54/99/1325575499.db2.gz QIIRYTAIXWTQLZ-UXHICEINSA-N 2 1 343.515 3.100 20 0 EGADMP CC[NH+]1CCCC[C@H]1CNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857120953 1325575508 /nfs/dbraw/zinc/57/55/08/1325575508.db2.gz QIIRYTAIXWTQLZ-UXHICEINSA-N 2 1 343.515 3.100 20 0 EGADMP CC[NH+]1CCCC[C@H]1CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857120953 1325575517 /nfs/dbraw/zinc/57/55/17/1325575517.db2.gz QIIRYTAIXWTQLZ-UXHICEINSA-N 2 1 343.515 3.100 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH+](C)CC3CCCC3)C2)C1 ZINC001027438860 1327678851 /nfs/dbraw/zinc/67/88/51/1327678851.db2.gz VVRGRGDAJFHUQD-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CCC[C@@H]([N@H+](C)CC3CCCC3)C2)C1 ZINC001027438860 1327678861 /nfs/dbraw/zinc/67/88/61/1327678861.db2.gz VVRGRGDAJFHUQD-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)CC3CCCC3)C2)C1 ZINC001027438860 1327678869 /nfs/dbraw/zinc/67/88/69/1327678869.db2.gz VVRGRGDAJFHUQD-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001027451458 1327692518 /nfs/dbraw/zinc/69/25/18/1327692518.db2.gz AKTHYQQWGQUQBW-PMACEKPBSA-N 2 1 345.531 3.004 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cnnn1-c1ccccc1 ZINC000926739132 1327693780 /nfs/dbraw/zinc/69/37/80/1327693780.db2.gz OOUHOCMRQMUZLV-AEFFLSMTSA-N 2 1 339.487 3.040 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cnnn1-c1ccccc1 ZINC000926739132 1327693789 /nfs/dbraw/zinc/69/37/89/1327693789.db2.gz OOUHOCMRQMUZLV-AEFFLSMTSA-N 2 1 339.487 3.040 20 0 EGADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3CC4(C3)OCCO4)CC[N@@H+]2C2CC2)cc1 ZINC000926998430 1327812256 /nfs/dbraw/zinc/81/22/56/1327812256.db2.gz CCLCYOPWDSPTHA-AZUAARDMSA-N 2 1 342.483 3.097 20 0 EGADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3CC4(C3)OCCO4)CC[N@H+]2C2CC2)cc1 ZINC000926998430 1327812288 /nfs/dbraw/zinc/81/22/88/1327812288.db2.gz CCLCYOPWDSPTHA-AZUAARDMSA-N 2 1 342.483 3.097 20 0 EGADMP Cc1ccc(NCC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000927073377 1327842804 /nfs/dbraw/zinc/84/28/04/1327842804.db2.gz KVPBKBXDOSHILT-ICSRJNTNSA-N 2 1 338.499 3.302 20 0 EGADMP Cc1cccc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001027562325 1327882618 /nfs/dbraw/zinc/88/26/18/1327882618.db2.gz MURAMKUOLSYQOG-WOJBJXKFSA-N 2 1 345.531 3.004 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCC2)C1)[NH+](C)C ZINC001027562968 1327882747 /nfs/dbraw/zinc/88/27/47/1327882747.db2.gz CBBRJEVKLKDJQB-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CC3CC(C)C3)C2)CC1 ZINC001027636933 1328003976 /nfs/dbraw/zinc/00/39/76/1328003976.db2.gz KECYBEWPZZNLEP-AFMYVXGZSA-N 2 1 349.563 3.076 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCC2)C1 ZINC001027647251 1328026754 /nfs/dbraw/zinc/02/67/54/1328026754.db2.gz MDRYQMYUWUDIIT-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1 ZINC001027647251 1328026763 /nfs/dbraw/zinc/02/67/63/1328026763.db2.gz MDRYQMYUWUDIIT-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC001027647251 1328026769 /nfs/dbraw/zinc/02/67/69/1328026769.db2.gz MDRYQMYUWUDIIT-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001027919608 1328397445 /nfs/dbraw/zinc/39/74/45/1328397445.db2.gz YOLIMBFFBOWCTF-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001027919608 1328397453 /nfs/dbraw/zinc/39/74/53/1328397453.db2.gz YOLIMBFFBOWCTF-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CC2(CCC2)C1 ZINC001027919608 1328397461 /nfs/dbraw/zinc/39/74/61/1328397461.db2.gz YOLIMBFFBOWCTF-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027929846 1328408268 /nfs/dbraw/zinc/40/82/68/1328408268.db2.gz JXEWUBOUCHMETQ-MOPGFXCFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929846 1328408272 /nfs/dbraw/zinc/40/82/72/1328408272.db2.gz JXEWUBOUCHMETQ-MOPGFXCFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001027929846 1328408276 /nfs/dbraw/zinc/40/82/76/1328408276.db2.gz JXEWUBOUCHMETQ-MOPGFXCFSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027971351 1328443348 /nfs/dbraw/zinc/44/33/48/1328443348.db2.gz FGYQBJHCVKQWOW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001027971351 1328443352 /nfs/dbraw/zinc/44/33/52/1328443352.db2.gz FGYQBJHCVKQWOW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001027971351 1328443356 /nfs/dbraw/zinc/44/33/56/1328443356.db2.gz FGYQBJHCVKQWOW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000865451256 1329699151 /nfs/dbraw/zinc/69/91/51/1329699151.db2.gz ZZZMOCZKTHAELX-LJQANCHMSA-N 2 1 343.515 3.133 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932700796 1329835153 /nfs/dbraw/zinc/83/51/53/1329835153.db2.gz BAPQJFMPGRJLKB-SJORKVTESA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932700796 1329835155 /nfs/dbraw/zinc/83/51/55/1329835155.db2.gz BAPQJFMPGRJLKB-SJORKVTESA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932700796 1329835156 /nfs/dbraw/zinc/83/51/56/1329835156.db2.gz BAPQJFMPGRJLKB-SJORKVTESA-N 2 1 339.524 3.098 20 0 EGADMP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@H](c3ccccc3F)C2(C)C)n1 ZINC000866702625 1330142248 /nfs/dbraw/zinc/14/22/48/1330142248.db2.gz DELMCNWITBFMAY-CYBMUJFWSA-N 2 1 332.423 3.171 20 0 EGADMP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@H](c3ccccc3F)C2(C)C)n1 ZINC000866702625 1330142249 /nfs/dbraw/zinc/14/22/49/1330142249.db2.gz DELMCNWITBFMAY-CYBMUJFWSA-N 2 1 332.423 3.171 20 0 EGADMP C[C@H]1C[N@@H+](CC2CCCCC2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942258545 1331890351 /nfs/dbraw/zinc/89/03/51/1331890351.db2.gz PULGTHJNZAMLAP-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1occc1C[NH+](C)C ZINC000942581351 1331988056 /nfs/dbraw/zinc/98/80/56/1331988056.db2.gz FNLKKLLRGLVSAC-RDJZCZTQSA-N 2 1 349.519 3.218 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC3=CCCCC3)C[C@H]2C)CC1 ZINC000943756179 1332254615 /nfs/dbraw/zinc/25/46/15/1332254615.db2.gz MDHRVBOXVVPMSU-QUCCMNQESA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945028268 1332481053 /nfs/dbraw/zinc/48/10/53/1332481053.db2.gz GVWRDZNQIBRZMO-XLIONFOSSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808128 1332904534 /nfs/dbraw/zinc/90/45/34/1332904534.db2.gz JXJLPLBCSVHXAT-AQNXPRMDSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC000947436439 1333127001 /nfs/dbraw/zinc/12/70/01/1333127001.db2.gz IXBGGTPOKCTKBH-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CC1CCCCC1 ZINC000947498570 1333148134 /nfs/dbraw/zinc/14/81/34/1333148134.db2.gz WBHBBBPZIFXLKJ-MJGOQNOKSA-N 2 1 347.547 3.164 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)[C@H](C)C1 ZINC000947546359 1333167226 /nfs/dbraw/zinc/16/72/26/1333167226.db2.gz GLLQYLQNSYMTNF-APWZRJJASA-N 2 1 344.503 3.051 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)[C@H](C)C1 ZINC000947546359 1333167231 /nfs/dbraw/zinc/16/72/31/1333167231.db2.gz GLLQYLQNSYMTNF-APWZRJJASA-N 2 1 344.503 3.051 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1CCCCC1 ZINC000947614862 1333193285 /nfs/dbraw/zinc/19/32/85/1333193285.db2.gz AZEWFQVELMHATN-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CCC(C)(C)C ZINC000947615724 1333194166 /nfs/dbraw/zinc/19/41/66/1333194166.db2.gz KPBSAJOVWJULNH-DLBZAZTESA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[N@H+]1CC1CCCC1 ZINC000947653592 1333210092 /nfs/dbraw/zinc/21/00/92/1333210092.db2.gz PSCKDXQWFCDCAF-MAUKXSAKSA-N 2 1 347.503 3.114 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCC1CCCCC1 ZINC000947686435 1333223372 /nfs/dbraw/zinc/22/33/72/1333223372.db2.gz YEXPXRJZQYNJNV-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947770867 1333255844 /nfs/dbraw/zinc/25/58/44/1333255844.db2.gz CNQQONHTPHEABY-WMZOPIPTSA-N 2 1 348.535 3.412 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947770867 1333255847 /nfs/dbraw/zinc/25/58/47/1333255847.db2.gz CNQQONHTPHEABY-WMZOPIPTSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947799571 1333265111 /nfs/dbraw/zinc/26/51/11/1333265111.db2.gz BMNCWIRARFHZAL-XLIONFOSSA-N 2 1 345.531 3.377 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)[C@H](C)C2)CC1 ZINC000947851800 1333279202 /nfs/dbraw/zinc/27/92/02/1333279202.db2.gz ANDRPKXSDPLLIM-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC000948246642 1333440011 /nfs/dbraw/zinc/44/00/11/1333440011.db2.gz ZGRZIKIISJGYHJ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC000948246642 1333440016 /nfs/dbraw/zinc/44/00/16/1333440016.db2.gz ZGRZIKIISJGYHJ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC000948246642 1333440017 /nfs/dbraw/zinc/44/00/17/1333440017.db2.gz ZGRZIKIISJGYHJ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439167 1333525612 /nfs/dbraw/zinc/52/56/12/1333525612.db2.gz IWXGLFYEYOKDEZ-HKUYNNGSSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439167 1333525617 /nfs/dbraw/zinc/52/56/17/1333525617.db2.gz IWXGLFYEYOKDEZ-HKUYNNGSSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439167 1333525618 /nfs/dbraw/zinc/52/56/18/1333525618.db2.gz IWXGLFYEYOKDEZ-HKUYNNGSSA-N 2 1 335.536 3.115 20 0 EGADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC000948553858 1333572371 /nfs/dbraw/zinc/57/23/71/1333572371.db2.gz NJSKKDBBLHQURG-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC000948553858 1333572376 /nfs/dbraw/zinc/57/23/76/1333572376.db2.gz NJSKKDBBLHQURG-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC000948553858 1333572379 /nfs/dbraw/zinc/57/23/79/1333572379.db2.gz NJSKKDBBLHQURG-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000948553668 1333572847 /nfs/dbraw/zinc/57/28/47/1333572847.db2.gz JYUSQDKCODDWDI-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC000948553668 1333572849 /nfs/dbraw/zinc/57/28/49/1333572849.db2.gz JYUSQDKCODDWDI-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC000948553668 1333572852 /nfs/dbraw/zinc/57/28/52/1333572852.db2.gz JYUSQDKCODDWDI-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC000948621233 1333600363 /nfs/dbraw/zinc/60/03/63/1333600363.db2.gz MWJPDXJKHFCZHV-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000948621233 1333600365 /nfs/dbraw/zinc/60/03/65/1333600365.db2.gz MWJPDXJKHFCZHV-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC000948738414 1333653237 /nfs/dbraw/zinc/65/32/37/1333653237.db2.gz DQOOKYNMKSUAHR-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC000948775727 1333674212 /nfs/dbraw/zinc/67/42/12/1333674212.db2.gz PMYREOMTDIJCKT-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000948775727 1333674215 /nfs/dbraw/zinc/67/42/15/1333674215.db2.gz PMYREOMTDIJCKT-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000948775727 1333674217 /nfs/dbraw/zinc/67/42/17/1333674217.db2.gz PMYREOMTDIJCKT-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CCC[NH+](CC3=CCCCC3)CC2)C1 ZINC000948778694 1333675602 /nfs/dbraw/zinc/67/56/02/1333675602.db2.gz BLXVPPVPNXELPL-ICSRJNTNSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@H+](CC3=CCCCC3)CC2)C1 ZINC000948778694 1333675606 /nfs/dbraw/zinc/67/56/06/1333675606.db2.gz BLXVPPVPNXELPL-ICSRJNTNSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@@H+](CC3=CCCCC3)CC2)C1 ZINC000948778694 1333675608 /nfs/dbraw/zinc/67/56/08/1333675608.db2.gz BLXVPPVPNXELPL-ICSRJNTNSA-N 2 1 347.547 3.142 20 0 EGADMP CN(C(=O)Cc1ncc[nH]1)[C@@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC000948887402 1333719715 /nfs/dbraw/zinc/71/97/15/1333719715.db2.gz YSJIJJYFLFPRKC-GOSISDBHSA-N 2 1 346.519 3.236 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000949012044 1333765510 /nfs/dbraw/zinc/76/55/10/1333765510.db2.gz MUQRXCNNOIKVTJ-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000949627446 1333885311 /nfs/dbraw/zinc/88/53/11/1333885311.db2.gz FCNFGTXTULQPRA-IBGZPJMESA-N 2 1 343.515 3.156 20 0 EGADMP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000951749675 1334311019 /nfs/dbraw/zinc/31/10/19/1334311019.db2.gz CMXCRTOLUAIGEB-XLIONFOSSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CCC3CCCCCC3)C2)CC[N@H+]1C ZINC000968738145 1336033202 /nfs/dbraw/zinc/03/32/02/1336033202.db2.gz OJUMBWZVSPZDEE-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP [NH3+][C@H]1CCC[N@H+](Cc2ccc(Br)c3cccnc23)CC1 ZINC001205116738 1370655153 /nfs/dbraw/zinc/65/51/53/1370655153.db2.gz HLHMLGPZXHHDHA-ZDUSSCGKSA-N 2 1 334.261 3.311 20 0 EGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)CC1 ZINC001205116738 1370655158 /nfs/dbraw/zinc/65/51/58/1370655158.db2.gz HLHMLGPZXHHDHA-ZDUSSCGKSA-N 2 1 334.261 3.311 20 0 EGADMP CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968888470 1336080267 /nfs/dbraw/zinc/08/02/67/1336080267.db2.gz VQEUVHUKCFPPAR-RBUKOAKNSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000968888470 1336080271 /nfs/dbraw/zinc/08/02/71/1336080271.db2.gz VQEUVHUKCFPPAR-RBUKOAKNSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000968888470 1336080273 /nfs/dbraw/zinc/08/02/73/1336080273.db2.gz VQEUVHUKCFPPAR-RBUKOAKNSA-N 2 1 335.536 3.164 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1Cc1ccsc1 ZINC000968920834 1336089702 /nfs/dbraw/zinc/08/97/02/1336089702.db2.gz ZJFBOYKRNWTYEL-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1Cc1ccsc1 ZINC000968920834 1336089705 /nfs/dbraw/zinc/08/97/05/1336089705.db2.gz ZJFBOYKRNWTYEL-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccsc1 ZINC000968920834 1336089707 /nfs/dbraw/zinc/08/97/07/1336089707.db2.gz ZJFBOYKRNWTYEL-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1ccsc1 ZINC000968920834 1336089708 /nfs/dbraw/zinc/08/97/08/1336089708.db2.gz ZJFBOYKRNWTYEL-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CCCC2CCC2)CC1 ZINC000969013773 1336118265 /nfs/dbraw/zinc/11/82/65/1336118265.db2.gz GHIAYMOATMJGGE-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC2CCCCCC2)C1 ZINC000969144242 1336160536 /nfs/dbraw/zinc/16/05/36/1336160536.db2.gz HQMHKDNRSZQMIS-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC2CCCCCC2)C1 ZINC000969144242 1336160538 /nfs/dbraw/zinc/16/05/38/1336160538.db2.gz HQMHKDNRSZQMIS-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC2CCCCCC2)C1 ZINC000969144242 1336160539 /nfs/dbraw/zinc/16/05/39/1336160539.db2.gz HQMHKDNRSZQMIS-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCCCC[N@H+]1CCCF ZINC000969155861 1336164865 /nfs/dbraw/zinc/16/48/65/1336164865.db2.gz DOYKXXRMSNGGDT-GOSISDBHSA-N 2 1 349.494 3.082 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC2=CCCCC2)C1 ZINC000969648092 1336233365 /nfs/dbraw/zinc/23/33/65/1336233365.db2.gz IUYJOVFVGDBANY-XLIONFOSSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000970528901 1336318097 /nfs/dbraw/zinc/31/80/97/1336318097.db2.gz JXQGIKYXJQKIMR-APWZRJJASA-N 2 1 349.563 3.122 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cc(Br)ncc2Cl)CC[C@@H]1C[NH3+] ZINC001205639056 1370823022 /nfs/dbraw/zinc/82/30/22/1370823022.db2.gz VJIHGTBWGNGBAG-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc(Br)ncc2Cl)CC[C@@H]1C[NH3+] ZINC001205639056 1370823025 /nfs/dbraw/zinc/82/30/25/1370823025.db2.gz VJIHGTBWGNGBAG-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001005474239 1336357588 /nfs/dbraw/zinc/35/75/88/1336357588.db2.gz AQPMNXVRCVGDHZ-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001006002153 1336435948 /nfs/dbraw/zinc/43/59/48/1336435948.db2.gz VLIKZJAMNLCJJB-UHFFFAOYSA-N 2 1 347.547 3.142 20 0 EGADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001006293613 1336484737 /nfs/dbraw/zinc/48/47/37/1336484737.db2.gz HXMMPSFKGDZBMO-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001006398819 1336499503 /nfs/dbraw/zinc/49/95/03/1336499503.db2.gz GBLPBOZIVVHAGV-UYAOXDASSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001007457402 1336650366 /nfs/dbraw/zinc/65/03/66/1336650366.db2.gz MYASZKLLXDJABX-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001007457402 1336650369 /nfs/dbraw/zinc/65/03/69/1336650369.db2.gz MYASZKLLXDJABX-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001007457402 1336650372 /nfs/dbraw/zinc/65/03/72/1336650372.db2.gz MYASZKLLXDJABX-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001007497132 1336657723 /nfs/dbraw/zinc/65/77/23/1336657723.db2.gz AVBFNKQXPYKCAB-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001007497132 1336657725 /nfs/dbraw/zinc/65/77/25/1336657725.db2.gz AVBFNKQXPYKCAB-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001007497132 1336657727 /nfs/dbraw/zinc/65/77/27/1336657727.db2.gz AVBFNKQXPYKCAB-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007498693 1336658359 /nfs/dbraw/zinc/65/83/59/1336658359.db2.gz LOESSXNLCINIGL-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007498693 1336658360 /nfs/dbraw/zinc/65/83/60/1336658360.db2.gz LOESSXNLCINIGL-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001007498693 1336658363 /nfs/dbraw/zinc/65/83/63/1336658363.db2.gz LOESSXNLCINIGL-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007501299 1336658878 /nfs/dbraw/zinc/65/88/78/1336658878.db2.gz XKARZDPLYRQTCD-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001007501299 1336658879 /nfs/dbraw/zinc/65/88/79/1336658879.db2.gz XKARZDPLYRQTCD-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001007501299 1336658880 /nfs/dbraw/zinc/65/88/80/1336658880.db2.gz XKARZDPLYRQTCD-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001007723818 1336691267 /nfs/dbraw/zinc/69/12/67/1336691267.db2.gz QYOVRYGAUCYLQT-QGZVFWFLSA-N 2 1 342.487 3.273 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001007749087 1336694449 /nfs/dbraw/zinc/69/44/49/1336694449.db2.gz UPAOFTMOXIVVLT-OALUTQOASA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001007749087 1336694452 /nfs/dbraw/zinc/69/44/52/1336694452.db2.gz UPAOFTMOXIVVLT-OALUTQOASA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001007749087 1336694453 /nfs/dbraw/zinc/69/44/53/1336694453.db2.gz UPAOFTMOXIVVLT-OALUTQOASA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001007751450 1336694836 /nfs/dbraw/zinc/69/48/36/1336694836.db2.gz ZMPCUMUFVWAHLZ-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007751450 1336694839 /nfs/dbraw/zinc/69/48/39/1336694839.db2.gz ZMPCUMUFVWAHLZ-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007751450 1336694842 /nfs/dbraw/zinc/69/48/42/1336694842.db2.gz ZMPCUMUFVWAHLZ-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCCC2CCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001008053096 1336759346 /nfs/dbraw/zinc/75/93/46/1336759346.db2.gz RFNWNJYNUFVFPG-PMACEKPBSA-N 2 1 347.547 3.022 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)cs1 ZINC001008164804 1336782873 /nfs/dbraw/zinc/78/28/73/1336782873.db2.gz SZQXCOUVYANIPQ-QGZVFWFLSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)cs1 ZINC001008164804 1336782875 /nfs/dbraw/zinc/78/28/75/1336782875.db2.gz SZQXCOUVYANIPQ-QGZVFWFLSA-N 2 1 349.544 3.012 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1)[NH+]1CCCC1 ZINC001008165585 1336783154 /nfs/dbraw/zinc/78/31/54/1336783154.db2.gz XGIJQNYQPDVJJZ-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008299043 1336818013 /nfs/dbraw/zinc/81/80/13/1336818013.db2.gz MDQVYZZVRACFBX-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008299043 1336818015 /nfs/dbraw/zinc/81/80/15/1336818015.db2.gz MDQVYZZVRACFBX-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008299043 1336818017 /nfs/dbraw/zinc/81/80/17/1336818017.db2.gz MDQVYZZVRACFBX-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2Br)CCC[C@H]1C[NH3+] ZINC001205994076 1370932945 /nfs/dbraw/zinc/93/29/45/1370932945.db2.gz IYWXDASFQPOYOO-NEPJUHHUSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001008529703 1336876533 /nfs/dbraw/zinc/87/65/33/1336876533.db2.gz GEWAWAVYWWHZOW-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001008529703 1336876536 /nfs/dbraw/zinc/87/65/36/1336876536.db2.gz GEWAWAVYWWHZOW-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001008529703 1336876540 /nfs/dbraw/zinc/87/65/40/1336876540.db2.gz GEWAWAVYWWHZOW-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008537491 1336877503 /nfs/dbraw/zinc/87/75/03/1336877503.db2.gz DCMDHLBIBOLZBM-FXAWDEMLSA-N 2 1 345.531 3.031 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001008747484 1336919574 /nfs/dbraw/zinc/91/95/74/1336919574.db2.gz LIEBBIYXBQAFAX-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001008771713 1336923612 /nfs/dbraw/zinc/92/36/12/1336923612.db2.gz UZOXAWVJQKMMCK-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001008771713 1336923615 /nfs/dbraw/zinc/92/36/15/1336923615.db2.gz UZOXAWVJQKMMCK-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001008771713 1336923618 /nfs/dbraw/zinc/92/36/18/1336923618.db2.gz UZOXAWVJQKMMCK-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC3CCCC3)C2)cc1 ZINC001008879566 1336936881 /nfs/dbraw/zinc/93/68/81/1336936881.db2.gz DQHWZHQMKMAAAC-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCC3CCCCC3)C2)CC1 ZINC001008946878 1336946291 /nfs/dbraw/zinc/94/62/91/1336946291.db2.gz UIBGRFRQZCKVPO-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001009049236 1336960057 /nfs/dbraw/zinc/96/00/57/1336960057.db2.gz HYQZHRAOWVLBJK-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001009052974 1336960642 /nfs/dbraw/zinc/96/06/42/1336960642.db2.gz VXHUBGIEJCKABL-IBGZPJMESA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC2)C1 ZINC001009170206 1336980957 /nfs/dbraw/zinc/98/09/57/1336980957.db2.gz RCKWBUMIFSBDMD-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001009170206 1336980961 /nfs/dbraw/zinc/98/09/61/1336980961.db2.gz RCKWBUMIFSBDMD-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001009170206 1336980966 /nfs/dbraw/zinc/98/09/66/1336980966.db2.gz RCKWBUMIFSBDMD-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)cs1 ZINC001014427923 1337775412 /nfs/dbraw/zinc/77/54/12/1337775412.db2.gz WAIUATAFEAAUFC-KRWDZBQOSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)cs1 ZINC001014427923 1337775416 /nfs/dbraw/zinc/77/54/16/1337775416.db2.gz WAIUATAFEAAUFC-KRWDZBQOSA-N 2 1 349.544 3.012 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001014447870 1337780408 /nfs/dbraw/zinc/78/04/08/1337780408.db2.gz QXFAGFVWEAHPPT-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014723020 1337884838 /nfs/dbraw/zinc/88/48/38/1337884838.db2.gz NYHAIJCUTZAPIF-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001014723020 1337884841 /nfs/dbraw/zinc/88/48/41/1337884841.db2.gz NYHAIJCUTZAPIF-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001014723020 1337884845 /nfs/dbraw/zinc/88/48/45/1337884845.db2.gz NYHAIJCUTZAPIF-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CC2=CCCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001014724942 1337886307 /nfs/dbraw/zinc/88/63/07/1337886307.db2.gz YBQBLXLYMWWKHR-UYAOXDASSA-N 2 1 345.531 3.084 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CC2=CCCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001014724942 1337886311 /nfs/dbraw/zinc/88/63/11/1337886311.db2.gz YBQBLXLYMWWKHR-UYAOXDASSA-N 2 1 345.531 3.084 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CC2=CCCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001014724942 1337886318 /nfs/dbraw/zinc/88/63/18/1337886318.db2.gz YBQBLXLYMWWKHR-UYAOXDASSA-N 2 1 345.531 3.084 20 0 EGADMP CC1(C)CC(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001014728061 1337888876 /nfs/dbraw/zinc/88/88/76/1337888876.db2.gz KNOYNUOKMXVPRE-HKUYNNGSSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001014728061 1337888881 /nfs/dbraw/zinc/88/88/81/1337888881.db2.gz KNOYNUOKMXVPRE-HKUYNNGSSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001014728061 1337888885 /nfs/dbraw/zinc/88/88/85/1337888885.db2.gz KNOYNUOKMXVPRE-HKUYNNGSSA-N 2 1 347.547 3.020 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CC[N@@H+](CCC3CCCC3)C2)ccc2c[nH+]cn21 ZINC001015035042 1337997349 /nfs/dbraw/zinc/99/73/49/1337997349.db2.gz XZNDTDPNSXHBLL-QGZVFWFLSA-N 2 1 340.471 3.027 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001015053825 1338003453 /nfs/dbraw/zinc/00/34/53/1338003453.db2.gz STYISNAXEQCSPX-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001015053825 1338003456 /nfs/dbraw/zinc/00/34/56/1338003456.db2.gz STYISNAXEQCSPX-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001015053825 1338003462 /nfs/dbraw/zinc/00/34/62/1338003462.db2.gz STYISNAXEQCSPX-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001015781505 1338307671 /nfs/dbraw/zinc/30/76/71/1338307671.db2.gz MOMAMVMOZIVRPZ-GOSISDBHSA-N 2 1 344.503 3.088 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001015781505 1338307675 /nfs/dbraw/zinc/30/76/75/1338307675.db2.gz MOMAMVMOZIVRPZ-GOSISDBHSA-N 2 1 344.503 3.088 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001015791153 1338311069 /nfs/dbraw/zinc/31/10/69/1338311069.db2.gz BHQTYCUPJFQNDY-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001015791153 1338311072 /nfs/dbraw/zinc/31/10/72/1338311072.db2.gz BHQTYCUPJFQNDY-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001015791153 1338311078 /nfs/dbraw/zinc/31/10/78/1338311078.db2.gz BHQTYCUPJFQNDY-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001015791155 1338311317 /nfs/dbraw/zinc/31/13/17/1338311317.db2.gz BHQTYCUPJFQNDY-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001015791155 1338311320 /nfs/dbraw/zinc/31/13/20/1338311320.db2.gz BHQTYCUPJFQNDY-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001015791155 1338311323 /nfs/dbraw/zinc/31/13/23/1338311323.db2.gz BHQTYCUPJFQNDY-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001015791336 1338312058 /nfs/dbraw/zinc/31/20/58/1338312058.db2.gz CSICSTINUJFRRR-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001015791336 1338312062 /nfs/dbraw/zinc/31/20/62/1338312062.db2.gz CSICSTINUJFRRR-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001015791336 1338312065 /nfs/dbraw/zinc/31/20/65/1338312065.db2.gz CSICSTINUJFRRR-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001015791178 1338312877 /nfs/dbraw/zinc/31/28/77/1338312877.db2.gz BQGUIWVNCBZAPJ-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001015791178 1338312878 /nfs/dbraw/zinc/31/28/78/1338312878.db2.gz BQGUIWVNCBZAPJ-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001015791178 1338312880 /nfs/dbraw/zinc/31/28/80/1338312880.db2.gz BQGUIWVNCBZAPJ-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001015976522 1338388518 /nfs/dbraw/zinc/38/85/18/1338388518.db2.gz NCKKAQUVVKWABD-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001015976522 1338388522 /nfs/dbraw/zinc/38/85/22/1338388522.db2.gz NCKKAQUVVKWABD-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001015976522 1338388524 /nfs/dbraw/zinc/38/85/24/1338388524.db2.gz NCKKAQUVVKWABD-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001015976522 1338388527 /nfs/dbraw/zinc/38/85/27/1338388527.db2.gz NCKKAQUVVKWABD-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)c1 ZINC001016323029 1338549266 /nfs/dbraw/zinc/54/92/66/1338549266.db2.gz MVXLRODEHVEORI-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001016340472 1338556187 /nfs/dbraw/zinc/55/61/87/1338556187.db2.gz WTCCQOOHYRJXIV-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001016340472 1338556191 /nfs/dbraw/zinc/55/61/91/1338556191.db2.gz WTCCQOOHYRJXIV-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001016340472 1338556193 /nfs/dbraw/zinc/55/61/93/1338556193.db2.gz WTCCQOOHYRJXIV-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)C2)o1 ZINC001016386365 1338584864 /nfs/dbraw/zinc/58/48/64/1338584864.db2.gz ZLWATGFZUYTNPX-INIZCTEOSA-N 2 1 349.519 3.362 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)o1 ZINC001016385833 1338585023 /nfs/dbraw/zinc/58/50/23/1338585023.db2.gz UVEUXJISSMETPP-KRWDZBQOSA-N 2 1 347.503 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC23CC[NH+](CC=C(C)C)CC3)C1 ZINC001016789259 1338728112 /nfs/dbraw/zinc/72/81/12/1338728112.db2.gz IJGYYLUHLCRFPR-MOPGFXCFSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016860993 1338750898 /nfs/dbraw/zinc/75/08/98/1338750898.db2.gz MDYKFMDAURLPCW-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP C[N@@H+](C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1)CC1CCCCCC1 ZINC001017070475 1338847418 /nfs/dbraw/zinc/84/74/18/1338847418.db2.gz FYGGTIXYHLKSEI-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)CC1CCCCCC1 ZINC001017070475 1338847419 /nfs/dbraw/zinc/84/74/19/1338847419.db2.gz FYGGTIXYHLKSEI-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)CC1CCCCCC1 ZINC001017070475 1338847420 /nfs/dbraw/zinc/84/74/20/1338847420.db2.gz FYGGTIXYHLKSEI-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@H](C[N@@H+](C)CC3CC(C)(C)C3)C2)CCC1 ZINC001017142338 1338894098 /nfs/dbraw/zinc/89/40/98/1338894098.db2.gz NEFCNWLMSDIMFG-QGZVFWFLSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001017208391 1338954645 /nfs/dbraw/zinc/95/46/45/1338954645.db2.gz GDEFGAKFDSVQLJ-ICSRJNTNSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001017208391 1338954653 /nfs/dbraw/zinc/95/46/53/1338954653.db2.gz GDEFGAKFDSVQLJ-ICSRJNTNSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001017208391 1338954658 /nfs/dbraw/zinc/95/46/58/1338954658.db2.gz GDEFGAKFDSVQLJ-ICSRJNTNSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001017209583 1338956162 /nfs/dbraw/zinc/95/61/62/1338956162.db2.gz QRLCBBQHCOCWCI-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001017209583 1338956166 /nfs/dbraw/zinc/95/61/66/1338956166.db2.gz QRLCBBQHCOCWCI-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001017209583 1338956170 /nfs/dbraw/zinc/95/61/70/1338956170.db2.gz QRLCBBQHCOCWCI-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2C)C1)[NH+](C)C ZINC001017214976 1338957778 /nfs/dbraw/zinc/95/77/78/1338957778.db2.gz ZVMYULBXNUJOQD-ICSRJNTNSA-N 2 1 345.531 3.006 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001017226547 1338966267 /nfs/dbraw/zinc/96/62/67/1338966267.db2.gz LCHVEYJQVAKGBR-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001017618927 1339377872 /nfs/dbraw/zinc/37/78/72/1339377872.db2.gz VZEFHRGXGCNQRT-FFGOWVMKSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001017618927 1339377873 /nfs/dbraw/zinc/37/78/73/1339377873.db2.gz VZEFHRGXGCNQRT-FFGOWVMKSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001017618927 1339377875 /nfs/dbraw/zinc/37/78/75/1339377875.db2.gz VZEFHRGXGCNQRT-FFGOWVMKSA-N 2 1 347.547 3.115 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001017735508 1339407219 /nfs/dbraw/zinc/40/72/19/1339407219.db2.gz HNKALHYWPPMIHT-KDURUIRLSA-N 2 1 340.471 3.059 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001018313841 1339572804 /nfs/dbraw/zinc/57/28/04/1339572804.db2.gz OJNLRROPONFRET-ZRNYENFQSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCC1 ZINC001028181046 1340471302 /nfs/dbraw/zinc/47/13/02/1340471302.db2.gz MKRPAVRDFILRII-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC001028181046 1340471303 /nfs/dbraw/zinc/47/13/03/1340471303.db2.gz MKRPAVRDFILRII-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC001028181046 1340471305 /nfs/dbraw/zinc/47/13/05/1340471305.db2.gz MKRPAVRDFILRII-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001028180526 1340471319 /nfs/dbraw/zinc/47/13/19/1340471319.db2.gz BTSVUCUFUXZAKE-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001028180526 1340471320 /nfs/dbraw/zinc/47/13/20/1340471320.db2.gz BTSVUCUFUXZAKE-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC001028180526 1340471322 /nfs/dbraw/zinc/47/13/22/1340471322.db2.gz BTSVUCUFUXZAKE-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CC(C)(C)C1 ZINC001028181495 1340471648 /nfs/dbraw/zinc/47/16/48/1340471648.db2.gz UGZSXBUQTWRHJZ-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001028181495 1340471651 /nfs/dbraw/zinc/47/16/51/1340471651.db2.gz UGZSXBUQTWRHJZ-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC001028181495 1340471653 /nfs/dbraw/zinc/47/16/53/1340471653.db2.gz UGZSXBUQTWRHJZ-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC=C(C)C)o1 ZINC001028342818 1340582819 /nfs/dbraw/zinc/58/28/19/1340582819.db2.gz HCRVTHGEPWHLBA-KRWDZBQOSA-N 2 1 347.503 3.282 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC2CCC2)o1 ZINC001028344168 1340583946 /nfs/dbraw/zinc/58/39/46/1340583946.db2.gz XBJXTNIBVYOMLZ-QGZVFWFLSA-N 2 1 347.503 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001028754513 1340790235 /nfs/dbraw/zinc/79/02/35/1340790235.db2.gz GFBCMMQUQIZZCR-PMACEKPBSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@H+](CCCC3CCC3)C2)C1 ZINC001028754513 1340790242 /nfs/dbraw/zinc/79/02/42/1340790242.db2.gz GFBCMMQUQIZZCR-PMACEKPBSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001028754513 1340790244 /nfs/dbraw/zinc/79/02/44/1340790244.db2.gz GFBCMMQUQIZZCR-PMACEKPBSA-N 2 1 349.563 3.127 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCC(C)(C)C)C2)cc1 ZINC001028870460 1340870668 /nfs/dbraw/zinc/87/06/68/1340870668.db2.gz QBTJTNGFNKZQQW-SFHVURJKSA-N 2 1 345.531 3.236 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC=C(C)C)C1 ZINC001028918365 1340883718 /nfs/dbraw/zinc/88/37/18/1340883718.db2.gz GBLUXFNJYJHVQR-RTBURBONSA-N 2 1 335.536 3.045 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001028918365 1340883719 /nfs/dbraw/zinc/88/37/19/1340883719.db2.gz GBLUXFNJYJHVQR-RTBURBONSA-N 2 1 335.536 3.045 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001028918365 1340883720 /nfs/dbraw/zinc/88/37/20/1340883720.db2.gz GBLUXFNJYJHVQR-RTBURBONSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1 ZINC001029114283 1340933288 /nfs/dbraw/zinc/93/32/88/1340933288.db2.gz WXUURFSUTIOZBT-PXNSSMCTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001029114635 1340933517 /nfs/dbraw/zinc/93/35/17/1340933517.db2.gz DRNWENZMJGDYAG-FXAWDEMLSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001029145950 1340942632 /nfs/dbraw/zinc/94/26/32/1340942632.db2.gz FUEUSSPYHOQEEB-ROUUACIJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001029146003 1340942714 /nfs/dbraw/zinc/94/27/14/1340942714.db2.gz GQJULGOQATUDOM-MSOLQXFVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001029146281 1340942753 /nfs/dbraw/zinc/94/27/53/1340942753.db2.gz IEMJBTCZZVDZJD-QZTJIDSGSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001029165882 1340946552 /nfs/dbraw/zinc/94/65/52/1340946552.db2.gz RHXGFVMWTMXRKG-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccccc1C)[NH+](C)C ZINC001029357364 1340976866 /nfs/dbraw/zinc/97/68/66/1340976866.db2.gz GDASYSCWFTZTKA-PNYFIKQUSA-N 2 1 343.515 3.071 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001029503350 1341002503 /nfs/dbraw/zinc/00/25/03/1341002503.db2.gz QEMAOPGNWNXTSZ-OTWHNJEPSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001029503350 1341002505 /nfs/dbraw/zinc/00/25/05/1341002505.db2.gz QEMAOPGNWNXTSZ-OTWHNJEPSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001029503350 1341002507 /nfs/dbraw/zinc/00/25/07/1341002507.db2.gz QEMAOPGNWNXTSZ-OTWHNJEPSA-N 2 1 349.563 3.361 20 0 EGADMP C[N@@H+](C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1)CC1CCCCCC1 ZINC001029767946 1341067391 /nfs/dbraw/zinc/06/73/91/1341067391.db2.gz AZHAJBYMYJCPLQ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)CC1CCCCCC1 ZINC001029767946 1341067392 /nfs/dbraw/zinc/06/73/92/1341067392.db2.gz AZHAJBYMYJCPLQ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)CC1CCCCCC1 ZINC001029767946 1341067393 /nfs/dbraw/zinc/06/73/93/1341067393.db2.gz AZHAJBYMYJCPLQ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](C)CC2CCCC2)CC1 ZINC001029969706 1341138667 /nfs/dbraw/zinc/13/86/67/1341138667.db2.gz RIMWDJGYVWZPJN-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CC2CCCC2)CC1 ZINC001029969706 1341138668 /nfs/dbraw/zinc/13/86/68/1341138668.db2.gz RIMWDJGYVWZPJN-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CC2CCCC2)CC1 ZINC001029969706 1341138669 /nfs/dbraw/zinc/13/86/69/1341138669.db2.gz RIMWDJGYVWZPJN-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)CC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001030831404 1341232016 /nfs/dbraw/zinc/23/20/16/1341232016.db2.gz HKVHXLHRFMMZSZ-SFHVURJKSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001030831404 1341232017 /nfs/dbraw/zinc/23/20/17/1341232017.db2.gz HKVHXLHRFMMZSZ-SFHVURJKSA-N 2 1 335.536 3.020 20 0 EGADMP O=C(NC1C[NH+](CCCC2CCC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001030831516 1341232546 /nfs/dbraw/zinc/23/25/46/1341232546.db2.gz JUCFPVPLVYLIBC-HXUWFJFHSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC1C[NH+](CCCC2CCC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001030831516 1341232549 /nfs/dbraw/zinc/23/25/49/1341232549.db2.gz JUCFPVPLVYLIBC-HXUWFJFHSA-N 2 1 347.547 3.164 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC2C[NH+](CCC3=CCCCC3)C2)c1 ZINC001031433788 1341340988 /nfs/dbraw/zinc/34/09/88/1341340988.db2.gz QRZWLVCYFLOITR-UHFFFAOYSA-N 2 1 341.499 3.053 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001031431614 1341341040 /nfs/dbraw/zinc/34/10/40/1341341040.db2.gz PUGOXRCJWRWDNL-IRXDYDNUSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC2C[NH+](CCC3CCCCC3)C2)c1 ZINC001031433926 1341341065 /nfs/dbraw/zinc/34/10/65/1341341065.db2.gz URAKHLZMTMTWDB-UHFFFAOYSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1=CCCCC1)[NH+]1CCCC1 ZINC001032557745 1341539701 /nfs/dbraw/zinc/53/97/01/1341539701.db2.gz QSTINORXLBPSEX-OALUTQOASA-N 2 1 345.531 3.036 20 0 EGADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838369 1341631123 /nfs/dbraw/zinc/63/11/23/1341631123.db2.gz NSDYOKFUPZQBKJ-FGTMMUONSA-N 2 1 349.906 3.076 20 0 EGADMP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032838369 1341631124 /nfs/dbraw/zinc/63/11/24/1341631124.db2.gz NSDYOKFUPZQBKJ-FGTMMUONSA-N 2 1 349.906 3.076 20 0 EGADMP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032838369 1341631128 /nfs/dbraw/zinc/63/11/28/1341631128.db2.gz NSDYOKFUPZQBKJ-FGTMMUONSA-N 2 1 349.906 3.076 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001033143898 1341738163 /nfs/dbraw/zinc/73/81/63/1341738163.db2.gz NJDJWTCKGFNEIB-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001033143898 1341738164 /nfs/dbraw/zinc/73/81/64/1341738164.db2.gz NJDJWTCKGFNEIB-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001033143898 1341738165 /nfs/dbraw/zinc/73/81/65/1341738165.db2.gz NJDJWTCKGFNEIB-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033147122 1341739312 /nfs/dbraw/zinc/73/93/12/1341739312.db2.gz SVANWFSEPWBZHC-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033147122 1341739313 /nfs/dbraw/zinc/73/93/13/1341739313.db2.gz SVANWFSEPWBZHC-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033147122 1341739315 /nfs/dbraw/zinc/73/93/15/1341739315.db2.gz SVANWFSEPWBZHC-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001033420292 1341821829 /nfs/dbraw/zinc/82/18/29/1341821829.db2.gz NTKNUNKTSYXGJM-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001033420292 1341821830 /nfs/dbraw/zinc/82/18/30/1341821830.db2.gz NTKNUNKTSYXGJM-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001033420292 1341821831 /nfs/dbraw/zinc/82/18/31/1341821831.db2.gz NTKNUNKTSYXGJM-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001033467702 1341837730 /nfs/dbraw/zinc/83/77/30/1341837730.db2.gz QNZGQRJKMFYLAZ-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001033549137 1341867222 /nfs/dbraw/zinc/86/72/22/1341867222.db2.gz WOCONHQBSVFWAS-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033826502 1342027378 /nfs/dbraw/zinc/02/73/78/1342027378.db2.gz QKKLNUADLJVHOU-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033826502 1342027381 /nfs/dbraw/zinc/02/73/81/1342027381.db2.gz QKKLNUADLJVHOU-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033826502 1342027384 /nfs/dbraw/zinc/02/73/84/1342027384.db2.gz QKKLNUADLJVHOU-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033888742 1342062135 /nfs/dbraw/zinc/06/21/35/1342062135.db2.gz SYPOOSPSUJSLHO-KRWDZBQOSA-N 2 1 342.487 3.307 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034012462 1342149241 /nfs/dbraw/zinc/14/92/41/1342149241.db2.gz OZUFVZLIXFEQCM-FXAWDEMLSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034203616 1342314311 /nfs/dbraw/zinc/31/43/11/1342314311.db2.gz FXDDPKCZLLYXKF-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034203616 1342314312 /nfs/dbraw/zinc/31/43/12/1342314312.db2.gz FXDDPKCZLLYXKF-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034203616 1342314316 /nfs/dbraw/zinc/31/43/16/1342314316.db2.gz FXDDPKCZLLYXKF-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP O=C(N[C@H]1CCCC[N@@H+](CC2CCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001034248429 1342346039 /nfs/dbraw/zinc/34/60/39/1342346039.db2.gz CAACQJCWVOKECY-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCCC[NH+](CC2CCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001034248429 1342346043 /nfs/dbraw/zinc/34/60/43/1342346043.db2.gz CAACQJCWVOKECY-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCCC[NH+](CC2CCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001034248429 1342346047 /nfs/dbraw/zinc/34/60/47/1342346047.db2.gz CAACQJCWVOKECY-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCCC[N@@H+](CCC2CC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001034250015 1342347033 /nfs/dbraw/zinc/34/70/33/1342347033.db2.gz NYIDZCRAPFCBRQ-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCCC[NH+](CCC2CC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001034250015 1342347034 /nfs/dbraw/zinc/34/70/34/1342347034.db2.gz NYIDZCRAPFCBRQ-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCCC[NH+](CCC2CC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001034250015 1342347035 /nfs/dbraw/zinc/34/70/35/1342347035.db2.gz NYIDZCRAPFCBRQ-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034290099 1342376082 /nfs/dbraw/zinc/37/60/82/1342376082.db2.gz FYPHUNHYHGCZHX-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](CC3CCC3)C2)cc1 ZINC001034443879 1342504099 /nfs/dbraw/zinc/50/40/99/1342504099.db2.gz ASFKHVJZBIBZPR-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034480044 1342536126 /nfs/dbraw/zinc/53/61/26/1342536126.db2.gz DYHAMGTZTHJUIL-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CC2)C1 ZINC001034480044 1342536129 /nfs/dbraw/zinc/53/61/29/1342536129.db2.gz DYHAMGTZTHJUIL-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CC2)C1 ZINC001034480044 1342536132 /nfs/dbraw/zinc/53/61/32/1342536132.db2.gz DYHAMGTZTHJUIL-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034535216 1342591524 /nfs/dbraw/zinc/59/15/24/1342591524.db2.gz CWKKIZVZXOWYBG-APWZRJJASA-N 2 1 349.494 3.081 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034540646 1342599988 /nfs/dbraw/zinc/59/99/88/1342599988.db2.gz JPTRJOQSFLPVRJ-IBGZPJMESA-N 2 1 343.515 3.299 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1ccccc1 ZINC001034648322 1342669074 /nfs/dbraw/zinc/66/90/74/1342669074.db2.gz DKFNOTWPSXEETM-HHUCQEJWSA-N 2 1 343.515 3.105 20 0 EGADMP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001034663211 1342677558 /nfs/dbraw/zinc/67/75/58/1342677558.db2.gz PSMJMLFGZUDLNY-QWFCFKBJSA-N 2 1 347.547 3.211 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CCC3=CCCCC3)CC2)C1 ZINC001034775553 1342753288 /nfs/dbraw/zinc/75/32/88/1342753288.db2.gz CNKQUYKTOYDHHG-VAMGGRTRSA-N 2 1 347.547 3.236 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC)cc1 ZINC001034828198 1342789450 /nfs/dbraw/zinc/78/94/50/1342789450.db2.gz NNWMVZNTBGXRFK-LJQANCHMSA-N 2 1 331.504 3.067 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034960909 1342854004 /nfs/dbraw/zinc/85/40/04/1342854004.db2.gz FBPQRFUARYHXFY-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001035070964 1342911842 /nfs/dbraw/zinc/91/18/42/1342911842.db2.gz QOMPBPNXGGHBCT-QGZVFWFLSA-N 2 1 346.519 3.023 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1csc(C)c1 ZINC001035133687 1342949661 /nfs/dbraw/zinc/94/96/61/1342949661.db2.gz PHWLAXFVHKHMCY-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001035133993 1342949831 /nfs/dbraw/zinc/94/98/31/1342949831.db2.gz QHSHNLOYUBTHGM-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001035198032 1343011864 /nfs/dbraw/zinc/01/18/64/1343011864.db2.gz AKECEMYLERJSPN-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001035198032 1343011866 /nfs/dbraw/zinc/01/18/66/1343011866.db2.gz AKECEMYLERJSPN-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001035198032 1343011870 /nfs/dbraw/zinc/01/18/70/1343011870.db2.gz AKECEMYLERJSPN-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)c1ccn3c[nH+]cc3c1)CC2 ZINC001035203811 1343015976 /nfs/dbraw/zinc/01/59/76/1343015976.db2.gz PVBMGSXBXYNJEY-UHFFFAOYSA-N 2 1 340.471 3.063 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001035239695 1343062823 /nfs/dbraw/zinc/06/28/23/1343062823.db2.gz XFOARHGTBXVNSI-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC2(CC[N@H+](C(C)C)C2)CC1)[NH+]1CCCCC1 ZINC001035260370 1343086656 /nfs/dbraw/zinc/08/66/56/1343086656.db2.gz UVWFHVKEAZXZHT-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CC2(C1)CCN(C(=O)CCn1cc[nH+]c1C(C)C)CC2 ZINC001035812836 1343211562 /nfs/dbraw/zinc/21/15/62/1343211562.db2.gz RVQQWUBRQJIGRX-UHFFFAOYSA-N 2 1 346.519 3.121 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H]([NH2+]CCC2CC2)[C@@H](C)C1 ZINC001036205856 1343362968 /nfs/dbraw/zinc/36/29/68/1343362968.db2.gz YQBZUZARBQDJRM-FUHWJXTLSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC001036580572 1343563534 /nfs/dbraw/zinc/56/35/34/1343563534.db2.gz DLKRFUXQXWMSBX-IAGOWNOFSA-N 2 1 334.508 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036854592 1343789095 /nfs/dbraw/zinc/78/90/95/1343789095.db2.gz NXMVLGFEDSQCLR-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902516 1343849245 /nfs/dbraw/zinc/84/92/45/1343849245.db2.gz LQPYYWZIZHHPMJ-UXHICEINSA-N 2 1 343.515 3.085 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CC1CCCC1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038247120 1344342802 /nfs/dbraw/zinc/34/28/02/1344342802.db2.gz GNKSIFRLRFWVQH-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CC1CCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038247120 1344342804 /nfs/dbraw/zinc/34/28/04/1344342804.db2.gz GNKSIFRLRFWVQH-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CC1CCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038247120 1344342806 /nfs/dbraw/zinc/34/28/06/1344342806.db2.gz GNKSIFRLRFWVQH-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001038321478 1344378619 /nfs/dbraw/zinc/37/86/19/1344378619.db2.gz MSMRJSCEFILXHJ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001038321478 1344378622 /nfs/dbraw/zinc/37/86/22/1344378622.db2.gz MSMRJSCEFILXHJ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001038321478 1344378627 /nfs/dbraw/zinc/37/86/27/1344378627.db2.gz MSMRJSCEFILXHJ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001038448557 1344430437 /nfs/dbraw/zinc/43/04/37/1344430437.db2.gz JAIFFMLXOVEHBW-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001038448557 1344430438 /nfs/dbraw/zinc/43/04/38/1344430438.db2.gz JAIFFMLXOVEHBW-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001038448557 1344430440 /nfs/dbraw/zinc/43/04/40/1344430440.db2.gz JAIFFMLXOVEHBW-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CCC1=CCCCC1)c1ccn2c[nH+]cc2c1 ZINC001038462892 1344434920 /nfs/dbraw/zinc/43/49/20/1344434920.db2.gz POUOFJYZYJSCOL-SFHVURJKSA-N 2 1 338.455 3.029 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCC2CCCC2)C1 ZINC001038620249 1344508068 /nfs/dbraw/zinc/50/80/68/1344508068.db2.gz BOPOKDAYHDBVRB-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCC2CCCC2)C1 ZINC001038620249 1344508071 /nfs/dbraw/zinc/50/80/71/1344508071.db2.gz BOPOKDAYHDBVRB-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCCC2CCCC2)C1 ZINC001038620249 1344508073 /nfs/dbraw/zinc/50/80/73/1344508073.db2.gz BOPOKDAYHDBVRB-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038622008 1344509390 /nfs/dbraw/zinc/50/93/90/1344509390.db2.gz LQKPIPBEBYTSIN-RTBURBONSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038622008 1344509393 /nfs/dbraw/zinc/50/93/93/1344509393.db2.gz LQKPIPBEBYTSIN-RTBURBONSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001038622008 1344509396 /nfs/dbraw/zinc/50/93/96/1344509396.db2.gz LQKPIPBEBYTSIN-RTBURBONSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCC2CCCCC2)C1 ZINC001038625928 1344510461 /nfs/dbraw/zinc/51/04/61/1344510461.db2.gz SVSNDDSGHKQIBR-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCC2CCCCC2)C1 ZINC001038625928 1344510464 /nfs/dbraw/zinc/51/04/64/1344510464.db2.gz SVSNDDSGHKQIBR-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCC2CCCCC2)C1 ZINC001038625928 1344510469 /nfs/dbraw/zinc/51/04/69/1344510469.db2.gz SVSNDDSGHKQIBR-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+]2CC2CCCCC2)c1 ZINC001039040310 1344728243 /nfs/dbraw/zinc/72/82/43/1344728243.db2.gz QTBKMFCGXXPYLI-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039205096 1344916067 /nfs/dbraw/zinc/91/60/67/1344916067.db2.gz KHMBJYTYVOJOHA-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039205096 1344916068 /nfs/dbraw/zinc/91/60/68/1344916068.db2.gz KHMBJYTYVOJOHA-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039205096 1344916073 /nfs/dbraw/zinc/91/60/73/1344916073.db2.gz KHMBJYTYVOJOHA-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039215911 1344932458 /nfs/dbraw/zinc/93/24/58/1344932458.db2.gz WWNILXOCJAFJPZ-QUCCMNQESA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039215911 1344932469 /nfs/dbraw/zinc/93/24/69/1344932469.db2.gz WWNILXOCJAFJPZ-QUCCMNQESA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039215911 1344932470 /nfs/dbraw/zinc/93/24/70/1344932470.db2.gz WWNILXOCJAFJPZ-QUCCMNQESA-N 2 1 347.547 3.140 20 0 EGADMP CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228904 1344948934 /nfs/dbraw/zinc/94/89/34/1344948934.db2.gz KZLMOYGUZWLRKX-VQIMIIECSA-N 2 1 340.471 3.061 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233338 1344953653 /nfs/dbraw/zinc/95/36/53/1344953653.db2.gz AYUPKKXGGNCOFE-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039241853 1344967877 /nfs/dbraw/zinc/96/78/77/1344967877.db2.gz JMFNEQFOMBMLSR-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001039249485 1344979414 /nfs/dbraw/zinc/97/94/14/1344979414.db2.gz AZOVWMVPZFTIEC-PMACEKPBSA-N 2 1 343.515 3.085 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001039448159 1345073075 /nfs/dbraw/zinc/07/30/75/1345073075.db2.gz YQEULOFRLLMKNB-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040261783 1345400815 /nfs/dbraw/zinc/40/08/15/1345400815.db2.gz AJQCNROVGQCOMY-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040261783 1345400819 /nfs/dbraw/zinc/40/08/19/1345400819.db2.gz AJQCNROVGQCOMY-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001040261783 1345400824 /nfs/dbraw/zinc/40/08/24/1345400824.db2.gz AJQCNROVGQCOMY-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC(C)(C)C)C2 ZINC001040264112 1345402574 /nfs/dbraw/zinc/40/25/74/1345402574.db2.gz LSFQPYDBPLPIMO-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC(C)(C)C)C2 ZINC001040264112 1345402575 /nfs/dbraw/zinc/40/25/75/1345402575.db2.gz LSFQPYDBPLPIMO-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC(C)(C)C)C2 ZINC001040264112 1345402578 /nfs/dbraw/zinc/40/25/78/1345402578.db2.gz LSFQPYDBPLPIMO-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275162 1345407342 /nfs/dbraw/zinc/40/73/42/1345407342.db2.gz JADCASWQXQFYJC-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040275162 1345407347 /nfs/dbraw/zinc/40/73/47/1345407347.db2.gz JADCASWQXQFYJC-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040275162 1345407348 /nfs/dbraw/zinc/40/73/48/1345407348.db2.gz JADCASWQXQFYJC-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040390578 1345472617 /nfs/dbraw/zinc/47/26/17/1345472617.db2.gz KKNLZHQNCGAKLI-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001040390578 1345472620 /nfs/dbraw/zinc/47/26/20/1345472620.db2.gz KKNLZHQNCGAKLI-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001040390578 1345472622 /nfs/dbraw/zinc/47/26/22/1345472622.db2.gz KKNLZHQNCGAKLI-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CCCCCC3)C2)C1)[NH+](C)C ZINC001041692804 1345821390 /nfs/dbraw/zinc/82/13/90/1345821390.db2.gz OFADFPMZSSJNNY-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)C1C[NH+](CCC2CCCCC2)C1 ZINC001042724193 1346110653 /nfs/dbraw/zinc/11/06/53/1346110653.db2.gz UVCHFIXEWKFEFX-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)c1ccc(C[NH+](C)C)cc1)C1C[NH+](CCCC2CCC2)C1 ZINC001044056303 1346240521 /nfs/dbraw/zinc/24/05/21/1346240521.db2.gz RVCWVVJFCWMAIF-UHFFFAOYSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)C2C[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC001044127910 1346255726 /nfs/dbraw/zinc/25/57/26/1346255726.db2.gz CMKWZOIMFORPAB-KRWDZBQOSA-N 2 1 343.515 3.011 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CC(CC)CC)C1 ZINC001044170977 1346265245 /nfs/dbraw/zinc/26/52/45/1346265245.db2.gz ZXXWRDMJWXDZCT-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044629696 1346387422 /nfs/dbraw/zinc/38/74/22/1346387422.db2.gz OSOMAEOJEGTBLN-AEFFLSMTSA-N 2 1 347.547 3.020 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C[C@@H]1C ZINC001044679794 1346401800 /nfs/dbraw/zinc/40/18/00/1346401800.db2.gz CEVOPHLXLNIGOF-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045067828 1346489440 /nfs/dbraw/zinc/48/94/40/1346489440.db2.gz AHFSNRYHOLHBJB-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CC2=CCCCC2)CC1 ZINC001045437814 1346593759 /nfs/dbraw/zinc/59/37/59/1346593759.db2.gz FCZVKVWXUVHRPV-LJQANCHMSA-N 2 1 347.547 3.330 20 0 EGADMP CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC[NH+](CC2CCCC2)CC1 ZINC001045475669 1346603041 /nfs/dbraw/zinc/60/30/41/1346603041.db2.gz OFMNHPUBDGWNQQ-RBUKOAKNSA-N 2 1 347.547 3.164 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2(C)CC[NH+](C[C@@H](C)CC)CC2)C1 ZINC001045531475 1346619473 /nfs/dbraw/zinc/61/94/73/1346619473.db2.gz JUDSUPLYRWCYOX-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCC(C)C)C1 ZINC001045833067 1346713791 /nfs/dbraw/zinc/71/37/91/1346713791.db2.gz PECBLSNGECBJJB-ZCNNSNEGSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)C)C1 ZINC001045833067 1346713793 /nfs/dbraw/zinc/71/37/93/1346713793.db2.gz PECBLSNGECBJJB-ZCNNSNEGSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)C)C1 ZINC001045833067 1346713795 /nfs/dbraw/zinc/71/37/95/1346713795.db2.gz PECBLSNGECBJJB-ZCNNSNEGSA-N 2 1 349.563 3.220 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001045891836 1346735151 /nfs/dbraw/zinc/73/51/51/1346735151.db2.gz GHJREAOAELPGMF-UXHICEINSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CC(C)C)C2)C1 ZINC001045942055 1346777891 /nfs/dbraw/zinc/77/78/91/1346777891.db2.gz QQEDSLCNGBGSDU-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001045942055 1346777893 /nfs/dbraw/zinc/77/78/93/1346777893.db2.gz QQEDSLCNGBGSDU-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001045942055 1346777895 /nfs/dbraw/zinc/77/78/95/1346777895.db2.gz QQEDSLCNGBGSDU-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001045947646 1346783291 /nfs/dbraw/zinc/78/32/91/1346783291.db2.gz HHSIEUMXCJDAKK-NRFANRHFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001045947646 1346783293 /nfs/dbraw/zinc/78/32/93/1346783293.db2.gz HHSIEUMXCJDAKK-NRFANRHFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001045947646 1346783294 /nfs/dbraw/zinc/78/32/94/1346783294.db2.gz HHSIEUMXCJDAKK-NRFANRHFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045976446 1346813401 /nfs/dbraw/zinc/81/34/01/1346813401.db2.gz ZOQSVLCOVHTJDT-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP C[C@]1(NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+](CCC2CCCC2)C1 ZINC001046450082 1346978034 /nfs/dbraw/zinc/97/80/34/1346978034.db2.gz OXRQDKZFRGMLBX-FQEVSTJZSA-N 2 1 340.471 3.109 20 0 EGADMP CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001047244090 1347270138 /nfs/dbraw/zinc/27/01/38/1347270138.db2.gz PLSNZCKFSVPRJW-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C2 ZINC001048560801 1347593763 /nfs/dbraw/zinc/59/37/63/1347593763.db2.gz SSLJVNCOCKORLC-FNLKRUPLSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049524965 1347892431 /nfs/dbraw/zinc/89/24/31/1347892431.db2.gz OTKPUXNDGDRYQG-XUVXKRRUSA-N 2 1 347.547 3.259 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001049524965 1347892434 /nfs/dbraw/zinc/89/24/34/1347892434.db2.gz OTKPUXNDGDRYQG-XUVXKRRUSA-N 2 1 347.547 3.259 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001049524965 1347892437 /nfs/dbraw/zinc/89/24/37/1347892437.db2.gz OTKPUXNDGDRYQG-XUVXKRRUSA-N 2 1 347.547 3.259 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CC1 ZINC001049564701 1347912470 /nfs/dbraw/zinc/91/24/70/1347912470.db2.gz PLFFLNHNWBDEST-RBUKOAKNSA-N 2 1 347.547 3.115 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC001049564701 1347912471 /nfs/dbraw/zinc/91/24/71/1347912471.db2.gz PLFFLNHNWBDEST-RBUKOAKNSA-N 2 1 347.547 3.115 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC001049564701 1347912473 /nfs/dbraw/zinc/91/24/73/1347912473.db2.gz PLFFLNHNWBDEST-RBUKOAKNSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001049566193 1347913605 /nfs/dbraw/zinc/91/36/05/1347913605.db2.gz HGNRREUZFUJPGV-ZCNNSNEGSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049566193 1347913607 /nfs/dbraw/zinc/91/36/07/1347913607.db2.gz HGNRREUZFUJPGV-ZCNNSNEGSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049566193 1347913610 /nfs/dbraw/zinc/91/36/10/1347913610.db2.gz HGNRREUZFUJPGV-ZCNNSNEGSA-N 2 1 347.547 3.138 20 0 EGADMP C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCC1)[NH+]1CCCCCC1 ZINC001049764528 1348008993 /nfs/dbraw/zinc/00/89/93/1348008993.db2.gz DFUVHMFUJVNMDX-MISYRCLQSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049764644 1348009169 /nfs/dbraw/zinc/00/91/69/1348009169.db2.gz DVMPEZHVMBOZSD-CEXWTWQISA-N 2 1 335.536 3.116 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049914012 1348109034 /nfs/dbraw/zinc/10/90/34/1348109034.db2.gz LHGNLCCGWVEYHW-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049915615 1348109958 /nfs/dbraw/zinc/10/99/58/1348109958.db2.gz XLTZCJYWGXAKME-AQNXPRMDSA-N 2 1 347.547 3.138 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC001049922140 1348114004 /nfs/dbraw/zinc/11/40/04/1348114004.db2.gz YEIICCXGGUOYJS-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCC1 ZINC001049922140 1348114006 /nfs/dbraw/zinc/11/40/06/1348114006.db2.gz YEIICCXGGUOYJS-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCC1 ZINC001049922140 1348114007 /nfs/dbraw/zinc/11/40/07/1348114007.db2.gz YEIICCXGGUOYJS-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049922519 1348114720 /nfs/dbraw/zinc/11/47/20/1348114720.db2.gz ZLNVPIPEEWFSMU-VQTJNVASSA-N 2 1 343.515 3.083 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC[C@H]3C[N@@H+](CCC(C)(C)C)C[C@H]32)CC1 ZINC001050173180 1348202449 /nfs/dbraw/zinc/20/24/49/1348202449.db2.gz WQNVMYKVSLUZLD-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCCCC3)CC2)C1 ZINC001050389967 1348247764 /nfs/dbraw/zinc/24/77/64/1348247764.db2.gz JAYGRHVBDVRTJZ-VAMGGRTRSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC2CC(C)(C)C2)C[C@H]1C ZINC001079848693 1357400678 /nfs/dbraw/zinc/40/06/78/1357400678.db2.gz HFHWHXQEDMHWNS-NZSAHSFTSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001079848693 1357400679 /nfs/dbraw/zinc/40/06/79/1357400679.db2.gz HFHWHXQEDMHWNS-NZSAHSFTSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001079848693 1357400682 /nfs/dbraw/zinc/40/06/82/1357400682.db2.gz HFHWHXQEDMHWNS-NZSAHSFTSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052369445 1348534139 /nfs/dbraw/zinc/53/41/39/1348534139.db2.gz RCTAUJUXVLELEG-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC001052369445 1348534142 /nfs/dbraw/zinc/53/41/42/1348534142.db2.gz RCTAUJUXVLELEG-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001052369445 1348534144 /nfs/dbraw/zinc/53/41/44/1348534144.db2.gz RCTAUJUXVLELEG-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381386 1348536967 /nfs/dbraw/zinc/53/69/67/1348536967.db2.gz PRYDSNMRCXUQGJ-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052381386 1348536968 /nfs/dbraw/zinc/53/69/68/1348536968.db2.gz PRYDSNMRCXUQGJ-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052381386 1348536970 /nfs/dbraw/zinc/53/69/70/1348536970.db2.gz PRYDSNMRCXUQGJ-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCC3CCCC3)CC2)CC[N@H+]1C ZINC001052394244 1348538885 /nfs/dbraw/zinc/53/88/85/1348538885.db2.gz CGXDKZIZVAIXGH-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCC3CCCC3)CC2)CC[NH+]1C ZINC001052394244 1348538887 /nfs/dbraw/zinc/53/88/87/1348538887.db2.gz CGXDKZIZVAIXGH-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCC3CCCC3)CC2)CC[NH+]1C ZINC001052394244 1348538888 /nfs/dbraw/zinc/53/88/88/1348538888.db2.gz CGXDKZIZVAIXGH-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)CC1)[NH+]1CCCC1 ZINC001052619028 1348598129 /nfs/dbraw/zinc/59/81/29/1348598129.db2.gz BVUPYVDNFARJMK-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3CCCC3)CC2)C1 ZINC001052651350 1348613744 /nfs/dbraw/zinc/61/37/44/1348613744.db2.gz GNOONDWCJKVGBG-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC3CCCC3)CC2)C1 ZINC001052651350 1348613746 /nfs/dbraw/zinc/61/37/46/1348613746.db2.gz GNOONDWCJKVGBG-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC3CCCC3)CC2)C1 ZINC001052651350 1348613747 /nfs/dbraw/zinc/61/37/47/1348613747.db2.gz GNOONDWCJKVGBG-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC1CCC(C[N@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001052680586 1348628146 /nfs/dbraw/zinc/62/81/46/1348628146.db2.gz PHMDEUMTWBMRGN-AFMYVXGZSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC001052712950 1348645038 /nfs/dbraw/zinc/64/50/38/1348645038.db2.gz QGOXRMHUCGREDU-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001052712950 1348645041 /nfs/dbraw/zinc/64/50/41/1348645041.db2.gz QGOXRMHUCGREDU-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001052712950 1348645044 /nfs/dbraw/zinc/64/50/44/1348645044.db2.gz QGOXRMHUCGREDU-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052715584 1348646015 /nfs/dbraw/zinc/64/60/15/1348646015.db2.gz GASDQNNDUBNVDO-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC001052715584 1348646017 /nfs/dbraw/zinc/64/60/17/1348646017.db2.gz GASDQNNDUBNVDO-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001052715584 1348646019 /nfs/dbraw/zinc/64/60/19/1348646019.db2.gz GASDQNNDUBNVDO-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001052758163 1348666605 /nfs/dbraw/zinc/66/66/05/1348666605.db2.gz SCMVCATUXSGLHH-KRWDZBQOSA-N 2 1 348.535 3.413 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001052758163 1348666606 /nfs/dbraw/zinc/66/66/06/1348666606.db2.gz SCMVCATUXSGLHH-KRWDZBQOSA-N 2 1 348.535 3.413 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857669 1348704467 /nfs/dbraw/zinc/70/44/67/1348704467.db2.gz REHHDKZWOLMUQU-HXUWFJFHSA-N 2 1 347.547 3.045 20 0 EGADMP C/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCC(C)C)CC1 ZINC001052989938 1348790292 /nfs/dbraw/zinc/79/02/92/1348790292.db2.gz DYASPTBXEBVZSB-XOISHUCVSA-N 2 1 347.547 3.138 20 0 EGADMP CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001053098977 1348931581 /nfs/dbraw/zinc/93/15/81/1348931581.db2.gz RRFDDYTXHPGQCB-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001053098977 1348931584 /nfs/dbraw/zinc/93/15/84/1348931584.db2.gz RRFDDYTXHPGQCB-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054183035 1349186056 /nfs/dbraw/zinc/18/60/56/1349186056.db2.gz WRBUVJDONCUWIC-PZJWPPBQSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001054183035 1349186057 /nfs/dbraw/zinc/18/60/57/1349186057.db2.gz WRBUVJDONCUWIC-PZJWPPBQSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054183035 1349186059 /nfs/dbraw/zinc/18/60/59/1349186059.db2.gz WRBUVJDONCUWIC-PZJWPPBQSA-N 2 1 349.563 3.223 20 0 EGADMP C[NH+]1CCC(C(=O)N2CCC[C@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)CC1 ZINC001054191053 1349193556 /nfs/dbraw/zinc/19/35/56/1349193556.db2.gz YEDFSJLQZRTZHZ-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1)[NH+](C)C ZINC001054199218 1349201056 /nfs/dbraw/zinc/20/10/56/1349201056.db2.gz QEGVNXCLEDXCHP-PXNSSMCTSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)cc2C1 ZINC001054268703 1349266463 /nfs/dbraw/zinc/26/64/63/1349266463.db2.gz UQAHDMXBLLSTNP-LJQANCHMSA-N 2 1 343.515 3.006 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)cc2C1 ZINC001054268703 1349266466 /nfs/dbraw/zinc/26/64/66/1349266466.db2.gz UQAHDMXBLLSTNP-LJQANCHMSA-N 2 1 343.515 3.006 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)cc2C1 ZINC001054268703 1349266470 /nfs/dbraw/zinc/26/64/70/1349266470.db2.gz UQAHDMXBLLSTNP-LJQANCHMSA-N 2 1 343.515 3.006 20 0 EGADMP CC(C)[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)cc2C1 ZINC001054269626 1349269284 /nfs/dbraw/zinc/26/92/84/1349269284.db2.gz IFZWHHDXZOQIJO-PMACEKPBSA-N 2 1 341.499 3.044 20 0 EGADMP CC(C)[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)cc2C1 ZINC001054269626 1349269288 /nfs/dbraw/zinc/26/92/88/1349269288.db2.gz IFZWHHDXZOQIJO-PMACEKPBSA-N 2 1 341.499 3.044 20 0 EGADMP CC(C)[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)cc2C1 ZINC001054269626 1349269291 /nfs/dbraw/zinc/26/92/91/1349269291.db2.gz IFZWHHDXZOQIJO-PMACEKPBSA-N 2 1 341.499 3.044 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)c1ccccc1Cl ZINC001054296783 1349301749 /nfs/dbraw/zinc/30/17/49/1349301749.db2.gz KXAYGRSYIDVWTH-IIDMSEBBSA-N 2 1 349.906 3.076 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC2)C1 ZINC001183129768 1387267299 /nfs/dbraw/zinc/26/72/99/1387267299.db2.gz YHOXILLYVGDDHS-YFVAEKQCSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCC3CC3)C2)ccc2c[nH+]cn21 ZINC001071627414 1354811017 /nfs/dbraw/zinc/81/10/17/1354811017.db2.gz FJSZXWJAWWLYOI-YOEHRIQHSA-N 2 1 340.471 3.026 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001071627990 1354811577 /nfs/dbraw/zinc/81/15/77/1354811577.db2.gz MTDGQTLAEBOFIT-WBVHZDCISA-N 2 1 342.487 3.272 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CC1CC(C)(C)C1 ZINC001071645581 1354824160 /nfs/dbraw/zinc/82/41/60/1354824160.db2.gz KZTRZXAPKOVNHA-SJLPKXTDSA-N 2 1 347.547 3.020 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001071651020 1354826716 /nfs/dbraw/zinc/82/67/16/1354826716.db2.gz FUEOCDHIGVGSOY-CRAIPNDOSA-N 2 1 342.487 3.353 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001071690147 1354854165 /nfs/dbraw/zinc/85/41/65/1354854165.db2.gz WLUVDMSSGTYNID-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001071690147 1354854168 /nfs/dbraw/zinc/85/41/68/1354854168.db2.gz WLUVDMSSGTYNID-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP CCCC[N@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001071829003 1354965566 /nfs/dbraw/zinc/96/55/66/1354965566.db2.gz YNAABDVKWLQEMI-FXAWDEMLSA-N 2 1 345.531 3.174 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[N@H+]1CCC1CCCCC1 ZINC001071996838 1355065762 /nfs/dbraw/zinc/06/57/62/1355065762.db2.gz VMKGPACHWPOVEX-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@H+]1CC1CCC1 ZINC001072095409 1355126543 /nfs/dbraw/zinc/12/65/43/1355126543.db2.gz HUUGXXQMUNJZFD-OXQOHEQNSA-N 2 1 343.515 3.131 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)[C@@H]1C ZINC001074649046 1356220914 /nfs/dbraw/zinc/22/09/14/1356220914.db2.gz NTZXSXPUGDQXRV-YTQUADARSA-N 2 1 335.536 3.019 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001183256439 1387286327 /nfs/dbraw/zinc/28/63/27/1387286327.db2.gz WSLIIIDJKIVMLJ-HSJMLMCGSA-N 2 1 347.547 3.330 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099126459 1363639044 /nfs/dbraw/zinc/63/90/44/1363639044.db2.gz SJWWUYFHWVFFSB-ZWKOTPCHSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001080998535 1357777572 /nfs/dbraw/zinc/77/75/72/1357777572.db2.gz BWWIODSJOLOAQB-OXQOHEQNSA-N 2 1 345.531 3.235 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001082612607 1358066080 /nfs/dbraw/zinc/06/60/80/1358066080.db2.gz WOIVNXAFHKMXOW-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC001084383470 1358205847 /nfs/dbraw/zinc/20/58/47/1358205847.db2.gz KXKRBOBRBPHQRT-NVXWUHKLSA-N 2 1 349.544 3.002 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC001084383470 1358205849 /nfs/dbraw/zinc/20/58/49/1358205849.db2.gz KXKRBOBRBPHQRT-NVXWUHKLSA-N 2 1 349.544 3.002 20 0 EGADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCCC3CCCC3)C[C@H]21)[NH+](C)C ZINC001084429211 1358211499 /nfs/dbraw/zinc/21/14/99/1358211499.db2.gz SLMXKHHQEPETFM-AQNXPRMDSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCC(C)(C)C)[C@H]2C1 ZINC001084953515 1358354315 /nfs/dbraw/zinc/35/43/15/1358354315.db2.gz RCQCSLRHNLWLEQ-QYZOEREBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC(C)(C)C)[C@H]2C1 ZINC001084953515 1358354316 /nfs/dbraw/zinc/35/43/16/1358354316.db2.gz RCQCSLRHNLWLEQ-QYZOEREBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC(C)(C)C)[C@H]2C1 ZINC001084953515 1358354317 /nfs/dbraw/zinc/35/43/17/1358354317.db2.gz RCQCSLRHNLWLEQ-QYZOEREBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049720 1358378698 /nfs/dbraw/zinc/37/86/98/1358378698.db2.gz UNKGZGZQJWTWQV-ZCNNSNEGSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101615 1358391693 /nfs/dbraw/zinc/39/16/93/1358391693.db2.gz VAVSBRYWOWZJOU-AABGKKOBSA-N 2 1 349.563 3.076 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCCC1 ZINC001085152530 1358413698 /nfs/dbraw/zinc/41/36/98/1358413698.db2.gz HXXKYAARTQRQGS-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001085245920 1358443206 /nfs/dbraw/zinc/44/32/06/1358443206.db2.gz UGRGYNFLLPNBBT-QRVBRYPASA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCCC2CCC2)C1 ZINC001085639839 1358654265 /nfs/dbraw/zinc/65/42/65/1358654265.db2.gz XDGULNHCPRYXAL-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCCC2CCC2)C1 ZINC001085639839 1358654269 /nfs/dbraw/zinc/65/42/69/1358654269.db2.gz XDGULNHCPRYXAL-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCCC2CCC2)C1 ZINC001085639839 1358654271 /nfs/dbraw/zinc/65/42/71/1358654271.db2.gz XDGULNHCPRYXAL-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC(C)(C)C ZINC001085687681 1358688567 /nfs/dbraw/zinc/68/85/67/1358688567.db2.gz SUWBXQVBUBMRSI-MSOLQXFVSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC(C)(C)C ZINC001085687681 1358688570 /nfs/dbraw/zinc/68/85/70/1358688570.db2.gz SUWBXQVBUBMRSI-MSOLQXFVSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001085687681 1358688573 /nfs/dbraw/zinc/68/85/73/1358688573.db2.gz SUWBXQVBUBMRSI-MSOLQXFVSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC2=CCCCC2)C1 ZINC001085778805 1358753499 /nfs/dbraw/zinc/75/34/99/1358753499.db2.gz HYUWYVGOENFONL-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC2=CCCCC2)C1 ZINC001085778805 1358753501 /nfs/dbraw/zinc/75/35/01/1358753501.db2.gz HYUWYVGOENFONL-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC2=CCCCC2)C1 ZINC001085778805 1358753504 /nfs/dbraw/zinc/75/35/04/1358753504.db2.gz HYUWYVGOENFONL-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001183870027 1387363807 /nfs/dbraw/zinc/36/38/07/1387363807.db2.gz YIUPZZWRITZHQD-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001085987738 1358939581 /nfs/dbraw/zinc/93/95/81/1358939581.db2.gz KQAIITWYUSVCMG-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001085987738 1358939582 /nfs/dbraw/zinc/93/95/82/1358939582.db2.gz KQAIITWYUSVCMG-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001085987738 1358939584 /nfs/dbraw/zinc/93/95/84/1358939584.db2.gz KQAIITWYUSVCMG-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994121 1358948220 /nfs/dbraw/zinc/94/82/20/1358948220.db2.gz CGIFYROLIFHXTP-MRXNPFEDSA-N 2 1 335.492 3.068 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001086085076 1358992261 /nfs/dbraw/zinc/99/22/61/1358992261.db2.gz RCIJUCAMSHNHIU-HSALFYBXSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086105503 1358998797 /nfs/dbraw/zinc/99/87/97/1358998797.db2.gz PULQLBPZHBRGRR-SLFFLAALSA-N 2 1 349.563 3.029 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086105391 1358998818 /nfs/dbraw/zinc/99/88/18/1358998818.db2.gz LSRJNHBMKDEUSA-SLFFLAALSA-N 2 1 349.563 3.029 20 0 EGADMP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001086222099 1359032107 /nfs/dbraw/zinc/03/21/07/1359032107.db2.gz ZSUJKPIZVFKBMQ-IYWMVGAKSA-N 2 1 347.547 3.068 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001086700355 1359187881 /nfs/dbraw/zinc/18/78/81/1359187881.db2.gz MPCCBATVJQQBBV-GSEOLPGOSA-N 2 1 347.547 3.092 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001086938440 1359261275 /nfs/dbraw/zinc/26/12/75/1359261275.db2.gz QCBSYJZDKUFLQH-MOPGFXCFSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942548 1359264019 /nfs/dbraw/zinc/26/40/19/1359264019.db2.gz VDQKHOBNIIEJNR-MOPGFXCFSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H](C[NH2+]CC2CCCC2)C1 ZINC001087176692 1359313641 /nfs/dbraw/zinc/31/36/41/1359313641.db2.gz LCESLOZBPVMULP-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087318445 1359409587 /nfs/dbraw/zinc/40/95/87/1359409587.db2.gz XVFHNZDUDPIAAX-QRQLOZEOSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1CCC1CC1 ZINC001087602560 1359550927 /nfs/dbraw/zinc/55/09/27/1359550927.db2.gz UPFMBPHAVXIARV-XUVXKRRUSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1CCC1CC1 ZINC001087602560 1359550929 /nfs/dbraw/zinc/55/09/29/1359550929.db2.gz UPFMBPHAVXIARV-XUVXKRRUSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1CCC1CC1 ZINC001087602560 1359550932 /nfs/dbraw/zinc/55/09/32/1359550932.db2.gz UPFMBPHAVXIARV-XUVXKRRUSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@@H+]1CC1CCCC1 ZINC001087704888 1359600492 /nfs/dbraw/zinc/60/04/92/1359600492.db2.gz MANKUDYHWYWBTN-ZWKOTPCHSA-N 2 1 347.503 3.114 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@H+]1CC1CCCC1 ZINC001087704888 1359600494 /nfs/dbraw/zinc/60/04/94/1359600494.db2.gz MANKUDYHWYWBTN-ZWKOTPCHSA-N 2 1 347.503 3.114 20 0 EGADMP CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001088327336 1359831328 /nfs/dbraw/zinc/83/13/28/1359831328.db2.gz LCXFVYZSNFJWAD-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCCC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001088382018 1359865004 /nfs/dbraw/zinc/86/50/04/1359865004.db2.gz RYEZDECRYFIZPC-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCCCC[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001088414174 1359884997 /nfs/dbraw/zinc/88/49/97/1359884997.db2.gz YYTMSXAZLNTIBK-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001088424806 1359893830 /nfs/dbraw/zinc/89/38/30/1359893830.db2.gz GKQWQDWIRUNCIO-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CC2=CCCCC2)[C@@H]1C ZINC001088621359 1359993753 /nfs/dbraw/zinc/99/37/53/1359993753.db2.gz ASSFYSWDNNJWLL-HOJAQTOUSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)[C@@H]1C ZINC001088621359 1359993756 /nfs/dbraw/zinc/99/37/56/1359993756.db2.gz ASSFYSWDNNJWLL-HOJAQTOUSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)[C@@H]1C ZINC001088621359 1359993760 /nfs/dbraw/zinc/99/37/60/1359993760.db2.gz ASSFYSWDNNJWLL-HOJAQTOUSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001088693394 1360014672 /nfs/dbraw/zinc/01/46/72/1360014672.db2.gz XWEFKMWGFDEVKS-HOJAQTOUSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)[C@@H]1C ZINC001088693394 1360014679 /nfs/dbraw/zinc/01/46/79/1360014679.db2.gz XWEFKMWGFDEVKS-HOJAQTOUSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)[C@@H]1C ZINC001088693394 1360014686 /nfs/dbraw/zinc/01/46/86/1360014686.db2.gz XWEFKMWGFDEVKS-HOJAQTOUSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@@H+]1CCCC1CCC1 ZINC001088823025 1360063628 /nfs/dbraw/zinc/06/36/28/1360063628.db2.gz SLGLQWFNQAWNQM-QAPCUYQASA-N 2 1 347.503 3.114 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@H+]1CCCC1CCC1 ZINC001088823025 1360063632 /nfs/dbraw/zinc/06/36/32/1360063632.db2.gz SLGLQWFNQAWNQM-QAPCUYQASA-N 2 1 347.503 3.114 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccsc2)[C@@H]1C ZINC001088898842 1360098809 /nfs/dbraw/zinc/09/88/09/1360098809.db2.gz YKJWVVRBTYUDPG-NJAFHUGGSA-N 2 1 349.544 3.090 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccsc2)[C@@H]1C ZINC001088898842 1360098813 /nfs/dbraw/zinc/09/88/13/1360098813.db2.gz YKJWVVRBTYUDPG-NJAFHUGGSA-N 2 1 349.544 3.090 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)[C@@H]1C ZINC001088898842 1360098817 /nfs/dbraw/zinc/09/88/17/1360098817.db2.gz YKJWVVRBTYUDPG-NJAFHUGGSA-N 2 1 349.544 3.090 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001088898878 1360098905 /nfs/dbraw/zinc/09/89/05/1360098905.db2.gz ZQQIZBXAZCWFGS-YZGWKJHDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)[C@@H]1C ZINC001088898878 1360098910 /nfs/dbraw/zinc/09/89/10/1360098910.db2.gz ZQQIZBXAZCWFGS-YZGWKJHDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)[C@@H]1C ZINC001088898878 1360098912 /nfs/dbraw/zinc/09/89/12/1360098912.db2.gz ZQQIZBXAZCWFGS-YZGWKJHDSA-N 2 1 349.563 3.409 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)CC(C)(C)C1 ZINC001089334878 1360347919 /nfs/dbraw/zinc/34/79/19/1360347919.db2.gz KYICBGBLSKWIGN-ROUUACIJSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)CC(C)(C)C1 ZINC001089334878 1360347921 /nfs/dbraw/zinc/34/79/21/1360347921.db2.gz KYICBGBLSKWIGN-ROUUACIJSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)CC(C)(C)C1 ZINC001089334878 1360347927 /nfs/dbraw/zinc/34/79/27/1360347927.db2.gz KYICBGBLSKWIGN-ROUUACIJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089381791 1360383774 /nfs/dbraw/zinc/38/37/74/1360383774.db2.gz NYPKTCYFLQCOFQ-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC(C)(C)C1 ZINC001089381791 1360383777 /nfs/dbraw/zinc/38/37/77/1360383777.db2.gz NYPKTCYFLQCOFQ-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1 ZINC001089381791 1360383781 /nfs/dbraw/zinc/38/37/81/1360383781.db2.gz NYPKTCYFLQCOFQ-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089406693 1360404842 /nfs/dbraw/zinc/40/48/42/1360404842.db2.gz QRJWLRHWJCXKHR-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089406693 1360404843 /nfs/dbraw/zinc/40/48/43/1360404843.db2.gz QRJWLRHWJCXKHR-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089406693 1360404844 /nfs/dbraw/zinc/40/48/44/1360404844.db2.gz QRJWLRHWJCXKHR-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089407081 1360405752 /nfs/dbraw/zinc/40/57/52/1360405752.db2.gz VUDPTZUVYYMBNT-HKUYNNGSSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089407081 1360405754 /nfs/dbraw/zinc/40/57/54/1360405754.db2.gz VUDPTZUVYYMBNT-HKUYNNGSSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089407081 1360405756 /nfs/dbraw/zinc/40/57/56/1360405756.db2.gz VUDPTZUVYYMBNT-HKUYNNGSSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477041 1360459495 /nfs/dbraw/zinc/45/94/95/1360459495.db2.gz KFCQHSABBNLOKC-FHWLQOOXSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477041 1360459496 /nfs/dbraw/zinc/45/94/96/1360459496.db2.gz KFCQHSABBNLOKC-FHWLQOOXSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477041 1360459499 /nfs/dbraw/zinc/45/94/99/1360459499.db2.gz KFCQHSABBNLOKC-FHWLQOOXSA-N 2 1 349.563 3.290 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CC3CCC3)CC(C)(C)C2)C1 ZINC001089488219 1360467924 /nfs/dbraw/zinc/46/79/24/1360467924.db2.gz SNRJSPMCRPQIPC-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC3CCC3)CC(C)(C)C2)C1 ZINC001089488219 1360467926 /nfs/dbraw/zinc/46/79/26/1360467926.db2.gz SNRJSPMCRPQIPC-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC3CCC3)CC(C)(C)C2)C1 ZINC001089488219 1360467927 /nfs/dbraw/zinc/46/79/27/1360467927.db2.gz SNRJSPMCRPQIPC-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509041 1360480970 /nfs/dbraw/zinc/48/09/70/1360480970.db2.gz DELLLDRFQICXKP-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC(C)(C)C1 ZINC001089537497 1360496015 /nfs/dbraw/zinc/49/60/15/1360496015.db2.gz NSURKRFYQLBMOG-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)CC(C)(C)C1 ZINC001089549205 1360503032 /nfs/dbraw/zinc/50/30/32/1360503032.db2.gz VHMFIGWJVGZMSZ-NQIIRXRSSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC(C)(C)C1 ZINC001089549205 1360503036 /nfs/dbraw/zinc/50/30/36/1360503036.db2.gz VHMFIGWJVGZMSZ-NQIIRXRSSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC(C)(C)C1 ZINC001089549205 1360503039 /nfs/dbraw/zinc/50/30/39/1360503039.db2.gz VHMFIGWJVGZMSZ-NQIIRXRSSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCC3CCCC3)CC(C)(C)C2)C1 ZINC001089559892 1360507306 /nfs/dbraw/zinc/50/73/06/1360507306.db2.gz SVPGWRFSDNNEFD-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CCC3CCCC3)CC(C)(C)C2)C1 ZINC001089559892 1360507309 /nfs/dbraw/zinc/50/73/09/1360507309.db2.gz SVPGWRFSDNNEFD-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCC3CCCC3)CC(C)(C)C2)C1 ZINC001089559892 1360507310 /nfs/dbraw/zinc/50/73/10/1360507310.db2.gz SVPGWRFSDNNEFD-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089564861 1360511321 /nfs/dbraw/zinc/51/13/21/1360511321.db2.gz KFVLLZWQRUZQRU-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089564861 1360511328 /nfs/dbraw/zinc/51/13/28/1360511328.db2.gz KFVLLZWQRUZQRU-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC(C)(C)C1 ZINC001089564861 1360511333 /nfs/dbraw/zinc/51/13/33/1360511333.db2.gz KFVLLZWQRUZQRU-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC(C)(C)C ZINC001089616658 1360537098 /nfs/dbraw/zinc/53/70/98/1360537098.db2.gz MVYMPRSRFMMHQD-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C ZINC001089616658 1360537102 /nfs/dbraw/zinc/53/71/02/1360537102.db2.gz MVYMPRSRFMMHQD-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C ZINC001089616658 1360537106 /nfs/dbraw/zinc/53/71/06/1360537106.db2.gz MVYMPRSRFMMHQD-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089639273 1360553035 /nfs/dbraw/zinc/55/30/35/1360553035.db2.gz RZQLOXZIEAJQRQ-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001089639273 1360553036 /nfs/dbraw/zinc/55/30/36/1360553036.db2.gz RZQLOXZIEAJQRQ-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001089639273 1360553037 /nfs/dbraw/zinc/55/30/37/1360553037.db2.gz RZQLOXZIEAJQRQ-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001089657567 1360569305 /nfs/dbraw/zinc/56/93/05/1360569305.db2.gz DUNBLAVSLUCANQ-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001089657567 1360569306 /nfs/dbraw/zinc/56/93/06/1360569306.db2.gz DUNBLAVSLUCANQ-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1 ZINC001089657567 1360569310 /nfs/dbraw/zinc/56/93/10/1360569310.db2.gz DUNBLAVSLUCANQ-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCCC1 ZINC001089657567 1360569312 /nfs/dbraw/zinc/56/93/12/1360569312.db2.gz DUNBLAVSLUCANQ-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001089727242 1360630741 /nfs/dbraw/zinc/63/07/41/1360630741.db2.gz WSGUPYLYGAUWEA-NQIIRXRSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001089727242 1360630743 /nfs/dbraw/zinc/63/07/43/1360630743.db2.gz WSGUPYLYGAUWEA-NQIIRXRSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001089727242 1360630745 /nfs/dbraw/zinc/63/07/45/1360630745.db2.gz WSGUPYLYGAUWEA-NQIIRXRSSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091672141 1361176715 /nfs/dbraw/zinc/17/67/15/1361176715.db2.gz ILLBRAVCAOVJHG-UEXGIBASSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754146 1361212429 /nfs/dbraw/zinc/21/24/29/1361212429.db2.gz GEJWTIQRAVHMDT-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754146 1361212431 /nfs/dbraw/zinc/21/24/31/1361212431.db2.gz GEJWTIQRAVHMDT-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754146 1361212432 /nfs/dbraw/zinc/21/24/32/1361212432.db2.gz GEJWTIQRAVHMDT-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001323990372 1387505507 /nfs/dbraw/zinc/50/55/07/1387505507.db2.gz IAPUMJVPWMNXOI-IPELMVKDSA-N 2 1 331.504 3.429 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092735751 1361449809 /nfs/dbraw/zinc/44/98/09/1361449809.db2.gz FMDDMNQMWGETDC-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001092735751 1361449814 /nfs/dbraw/zinc/44/98/14/1361449814.db2.gz FMDDMNQMWGETDC-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001092735751 1361449819 /nfs/dbraw/zinc/44/98/19/1361449819.db2.gz FMDDMNQMWGETDC-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001184711943 1387516943 /nfs/dbraw/zinc/51/69/43/1387516943.db2.gz IEUCNTGHDHMRHV-XRZRDHLVSA-N 2 1 337.552 3.147 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056646 1361517157 /nfs/dbraw/zinc/51/71/57/1361517157.db2.gz JEQBLIRZESUBTN-MBOZVWFJSA-N 2 1 345.531 3.092 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CC1CCCCCC1 ZINC001093865493 1361708338 /nfs/dbraw/zinc/70/83/38/1361708338.db2.gz KVDFLADLQHORFL-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CC1)CC2 ZINC001094414125 1361791296 /nfs/dbraw/zinc/79/12/96/1361791296.db2.gz UJVYYUZXHSKFCC-SFHLNBCPSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2 ZINC001094414125 1361791299 /nfs/dbraw/zinc/79/12/99/1361791299.db2.gz UJVYYUZXHSKFCC-SFHLNBCPSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2 ZINC001094414125 1361791302 /nfs/dbraw/zinc/79/13/02/1361791302.db2.gz UJVYYUZXHSKFCC-SFHLNBCPSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094456629 1361808143 /nfs/dbraw/zinc/80/81/43/1361808143.db2.gz KHHTTXKAQVQGCJ-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3CC(C)C)CCC[C@@H]12 ZINC001094456629 1361808146 /nfs/dbraw/zinc/80/81/46/1361808146.db2.gz KHHTTXKAQVQGCJ-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3CC(C)C)CCC[C@@H]12 ZINC001094456629 1361808149 /nfs/dbraw/zinc/80/81/49/1361808149.db2.gz KHHTTXKAQVQGCJ-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(C)C)CC3)C1 ZINC001094493898 1361829803 /nfs/dbraw/zinc/82/98/03/1361829803.db2.gz VJVVFIBUSQBARQ-SFHLNBCPSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(C)C)CC3)C1 ZINC001094493898 1361829806 /nfs/dbraw/zinc/82/98/06/1361829806.db2.gz VJVVFIBUSQBARQ-SFHLNBCPSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(C)C)CC3)C1 ZINC001094493898 1361829808 /nfs/dbraw/zinc/82/98/08/1361829808.db2.gz VJVVFIBUSQBARQ-SFHLNBCPSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CC1)CC2 ZINC001094529406 1361845650 /nfs/dbraw/zinc/84/56/50/1361845650.db2.gz ROXYEKDSFKOGSQ-QKNQBKEWSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2 ZINC001094529406 1361845654 /nfs/dbraw/zinc/84/56/54/1361845654.db2.gz ROXYEKDSFKOGSQ-QKNQBKEWSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2 ZINC001094529406 1361845656 /nfs/dbraw/zinc/84/56/56/1361845656.db2.gz ROXYEKDSFKOGSQ-QKNQBKEWSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCC2)CC[N@H+]1C ZINC001095921420 1362289339 /nfs/dbraw/zinc/28/93/39/1362289339.db2.gz TWFQPSJGGVFQGW-UVBQOVKKSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCC2)CC[NH+]1C ZINC001095921420 1362289343 /nfs/dbraw/zinc/28/93/43/1362289343.db2.gz TWFQPSJGGVFQGW-UVBQOVKKSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCC2)CC[NH+]1C ZINC001095921420 1362289347 /nfs/dbraw/zinc/28/93/47/1362289347.db2.gz TWFQPSJGGVFQGW-UVBQOVKKSA-N 2 1 347.547 3.019 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001096608104 1362594988 /nfs/dbraw/zinc/59/49/88/1362594988.db2.gz QIGCYZZDXIYFSG-FUMNGEBKSA-N 2 1 345.531 3.083 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001096608104 1362594990 /nfs/dbraw/zinc/59/49/90/1362594990.db2.gz QIGCYZZDXIYFSG-FUMNGEBKSA-N 2 1 345.531 3.083 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001096608104 1362594992 /nfs/dbraw/zinc/59/49/92/1362594992.db2.gz QIGCYZZDXIYFSG-FUMNGEBKSA-N 2 1 345.531 3.083 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC001324354746 1387607838 /nfs/dbraw/zinc/60/78/38/1387607838.db2.gz BMIOSOXOQBMHNF-SOAGJPPSSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1)[NH+]1CCCC1 ZINC001097639072 1363086005 /nfs/dbraw/zinc/08/60/05/1363086005.db2.gz OTOBPOXGNYVIJJ-QRVBRYPASA-N 2 1 345.531 3.083 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCCC2)C1 ZINC001097852508 1363142182 /nfs/dbraw/zinc/14/21/82/1363142182.db2.gz BSUMVEXILYDOES-NBYUQASBSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCCC2)C1 ZINC001097852508 1363142184 /nfs/dbraw/zinc/14/21/84/1363142184.db2.gz BSUMVEXILYDOES-NBYUQASBSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCCC2)C1 ZINC001097852508 1363142186 /nfs/dbraw/zinc/14/21/86/1363142186.db2.gz BSUMVEXILYDOES-NBYUQASBSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCC2)C1 ZINC001097853977 1363142199 /nfs/dbraw/zinc/14/21/99/1363142199.db2.gz RPAOTMFVHPQKEL-AFYVEPGGSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCCC2)C1 ZINC001097853977 1363142201 /nfs/dbraw/zinc/14/22/01/1363142201.db2.gz RPAOTMFVHPQKEL-AFYVEPGGSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCCC2)C1 ZINC001097853977 1363142203 /nfs/dbraw/zinc/14/22/03/1363142203.db2.gz RPAOTMFVHPQKEL-AFYVEPGGSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001097976144 1363186225 /nfs/dbraw/zinc/18/62/25/1363186225.db2.gz WEGOPYAWIJWVHY-YRXWBPOGSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001097976144 1363186230 /nfs/dbraw/zinc/18/62/30/1363186230.db2.gz WEGOPYAWIJWVHY-YRXWBPOGSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001097976144 1363186232 /nfs/dbraw/zinc/18/62/32/1363186232.db2.gz WEGOPYAWIJWVHY-YRXWBPOGSA-N 2 1 335.536 3.017 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCC2)CC1 ZINC001097975762 1363186285 /nfs/dbraw/zinc/18/62/85/1363186285.db2.gz CFZZDNYRIDTISX-AQNXPRMDSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[C@H]([NH2+]CC)C2CCCC2)C1 ZINC001098822203 1363482699 /nfs/dbraw/zinc/48/26/99/1363482699.db2.gz XFFFNDYSGWQIEW-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH2+][C@H](C[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1)C1CCCC1 ZINC001098822023 1363482860 /nfs/dbraw/zinc/48/28/60/1363482860.db2.gz VUTXNWVEGJSLCH-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185168603 1387631803 /nfs/dbraw/zinc/63/18/03/1387631803.db2.gz HTOZSXCJPDJZNH-ROUUACIJSA-N 2 1 339.568 3.085 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](C(C)C)C3)o1 ZINC001099179007 1363675973 /nfs/dbraw/zinc/67/59/73/1363675973.db2.gz VSOPVSIGWNPJMG-JXFKEZNVSA-N 2 1 347.503 3.114 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCC(C)(C)C ZINC001099214237 1363695073 /nfs/dbraw/zinc/69/50/73/1363695073.db2.gz ISNBBOUUYRTOQC-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225289 1363700800 /nfs/dbraw/zinc/70/08/00/1363700800.db2.gz RHZVOZIMLRLSMB-ZWKOTPCHSA-N 2 1 337.552 3.146 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099241376 1363710128 /nfs/dbraw/zinc/71/01/28/1363710128.db2.gz ZLXRZBOJNWPNOR-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001099241376 1363710131 /nfs/dbraw/zinc/71/01/31/1363710131.db2.gz ZLXRZBOJNWPNOR-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001099241376 1363710133 /nfs/dbraw/zinc/71/01/33/1363710133.db2.gz ZLXRZBOJNWPNOR-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099241373 1363710196 /nfs/dbraw/zinc/71/01/96/1363710196.db2.gz ZLXRZBOJNWPNOR-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001099241373 1363710200 /nfs/dbraw/zinc/71/02/00/1363710200.db2.gz ZLXRZBOJNWPNOR-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001099241373 1363710204 /nfs/dbraw/zinc/71/02/04/1363710204.db2.gz ZLXRZBOJNWPNOR-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP C[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC1)[NH+]1CCCCCC1 ZINC001099251382 1363713505 /nfs/dbraw/zinc/71/35/05/1363713505.db2.gz JFZAKMHRBKGZGD-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC ZINC001099269583 1363724841 /nfs/dbraw/zinc/72/48/41/1363724841.db2.gz AVHSBBOCBCGYKW-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099269583 1363724844 /nfs/dbraw/zinc/72/48/44/1363724844.db2.gz AVHSBBOCBCGYKW-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC ZINC001099269583 1363724849 /nfs/dbraw/zinc/72/48/49/1363724849.db2.gz AVHSBBOCBCGYKW-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CCC2CC2)CC1 ZINC001099280780 1363729169 /nfs/dbraw/zinc/72/91/69/1363729169.db2.gz LCAVUDMMRYZNQL-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC(C)C ZINC001099319877 1363747484 /nfs/dbraw/zinc/74/74/84/1363747484.db2.gz DTCGBLJKMWJRST-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC(C)C ZINC001099319877 1363747487 /nfs/dbraw/zinc/74/74/87/1363747487.db2.gz DTCGBLJKMWJRST-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC(C)C ZINC001099319877 1363747491 /nfs/dbraw/zinc/74/74/91/1363747491.db2.gz DTCGBLJKMWJRST-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339997 1363760041 /nfs/dbraw/zinc/76/00/41/1363760041.db2.gz NHTFNFRFPGMOPA-RURPWVQCSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCCCCF ZINC001099353456 1363767697 /nfs/dbraw/zinc/76/76/97/1363767697.db2.gz BHENIZSLLQGLPB-KRWDZBQOSA-N 2 1 343.531 3.073 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCCCF ZINC001099353456 1363767700 /nfs/dbraw/zinc/76/77/00/1363767700.db2.gz BHENIZSLLQGLPB-KRWDZBQOSA-N 2 1 343.531 3.073 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCCCF ZINC001099353456 1363767702 /nfs/dbraw/zinc/76/77/02/1363767702.db2.gz BHENIZSLLQGLPB-KRWDZBQOSA-N 2 1 343.531 3.073 20 0 EGADMP CC(C)(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001100405756 1364104230 /nfs/dbraw/zinc/10/42/30/1364104230.db2.gz LOVLKCWORZFUIA-TVPLGVNVSA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001100460019 1364122384 /nfs/dbraw/zinc/12/23/84/1364122384.db2.gz LLBIJLFXRXWVOZ-AOCRQIFASA-N 2 1 345.531 3.271 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCC2CC([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001100678575 1364214609 /nfs/dbraw/zinc/21/46/09/1364214609.db2.gz PIWPTPRRPFXOQK-IVMQYODDSA-N 2 1 349.563 3.029 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100765096 1364251653 /nfs/dbraw/zinc/25/16/53/1364251653.db2.gz SRGVPWLUNQBYPC-UHFFFAOYSA-N 2 1 339.568 3.419 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001100900158 1364321821 /nfs/dbraw/zinc/32/18/21/1364321821.db2.gz SWQRDNJOINZXCD-ZJRDLVKKSA-N 2 1 345.531 3.272 20 0 EGADMP CC(C)CCC[NH2+]C1CC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001101034892 1364383103 /nfs/dbraw/zinc/38/31/03/1364383103.db2.gz OWSDKPNUVISOFY-UUKMXZOPSA-N 2 1 345.531 3.210 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]C2CC(CNC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001101037336 1364384089 /nfs/dbraw/zinc/38/40/89/1364384089.db2.gz ISHFERCFYUMXCD-VIQWUECVSA-N 2 1 345.531 3.189 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001102101275 1364855935 /nfs/dbraw/zinc/85/59/35/1364855935.db2.gz VXOZRXTYNXBRCL-ZIFCJYIRSA-N 2 1 345.531 3.162 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001102101275 1364855939 /nfs/dbraw/zinc/85/59/39/1364855939.db2.gz VXOZRXTYNXBRCL-ZIFCJYIRSA-N 2 1 345.531 3.162 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001102101275 1364855943 /nfs/dbraw/zinc/85/59/43/1364855943.db2.gz VXOZRXTYNXBRCL-ZIFCJYIRSA-N 2 1 345.531 3.162 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294063 1364988295 /nfs/dbraw/zinc/98/82/95/1364988295.db2.gz GIEBFKUJCZXENT-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102427505 1365049557 /nfs/dbraw/zinc/04/95/57/1365049557.db2.gz XUWPFPUCQMPNJY-JCHUFIKGSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102427505 1365049560 /nfs/dbraw/zinc/04/95/60/1365049560.db2.gz XUWPFPUCQMPNJY-JCHUFIKGSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001102427505 1365049566 /nfs/dbraw/zinc/04/95/66/1365049566.db2.gz XUWPFPUCQMPNJY-JCHUFIKGSA-N 2 1 349.563 3.290 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102428694 1365049948 /nfs/dbraw/zinc/04/99/48/1365049948.db2.gz OWSFOHPZRDDWEY-KZNAEPCWSA-N 2 1 348.535 3.127 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102428694 1365049952 /nfs/dbraw/zinc/04/99/52/1365049952.db2.gz OWSFOHPZRDDWEY-KZNAEPCWSA-N 2 1 348.535 3.127 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102428900 1365050051 /nfs/dbraw/zinc/05/00/51/1365050051.db2.gz YJNWTBHJAKODLN-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102428900 1365050055 /nfs/dbraw/zinc/05/00/55/1365050055.db2.gz YJNWTBHJAKODLN-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001102428900 1365050059 /nfs/dbraw/zinc/05/00/59/1365050059.db2.gz YJNWTBHJAKODLN-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102497433 1365086527 /nfs/dbraw/zinc/08/65/27/1365086527.db2.gz SMSKOYMEMJUEQL-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001102497433 1365086531 /nfs/dbraw/zinc/08/65/31/1365086531.db2.gz SMSKOYMEMJUEQL-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102497433 1365086542 /nfs/dbraw/zinc/08/65/42/1365086542.db2.gz SMSKOYMEMJUEQL-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC001185448657 1387719434 /nfs/dbraw/zinc/71/94/34/1387719434.db2.gz ZBBVMPUGSUZYBQ-ROUUACIJSA-N 2 1 339.568 3.229 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001102977218 1365324366 /nfs/dbraw/zinc/32/43/66/1365324366.db2.gz RCBFISHVFKZJTK-PFRNKHFKSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001102977218 1365324368 /nfs/dbraw/zinc/32/43/68/1365324368.db2.gz RCBFISHVFKZJTK-PFRNKHFKSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001102977218 1365324373 /nfs/dbraw/zinc/32/43/73/1365324373.db2.gz RCBFISHVFKZJTK-PFRNKHFKSA-N 2 1 349.563 3.290 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103158064 1365414005 /nfs/dbraw/zinc/41/40/05/1365414005.db2.gz QQSXYQFBBQJSFL-SJLPKXTDSA-N 2 1 339.568 3.227 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001103158064 1365414008 /nfs/dbraw/zinc/41/40/08/1365414008.db2.gz QQSXYQFBBQJSFL-SJLPKXTDSA-N 2 1 339.568 3.227 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001103158064 1365414010 /nfs/dbraw/zinc/41/40/10/1365414010.db2.gz QQSXYQFBBQJSFL-SJLPKXTDSA-N 2 1 339.568 3.227 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103380301 1365526270 /nfs/dbraw/zinc/52/62/70/1365526270.db2.gz OMFMDDRVRYTDCG-WSTZPKSXSA-N 2 1 345.531 3.164 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103655168 1365705725 /nfs/dbraw/zinc/70/57/25/1365705725.db2.gz SPVSMEYDCDUWKD-PWBPZBFBSA-N 2 1 337.552 3.149 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001103664436 1365712652 /nfs/dbraw/zinc/71/26/52/1365712652.db2.gz BQWVKAPCXGPWLG-WSTZPKSXSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001103664436 1365712654 /nfs/dbraw/zinc/71/26/54/1365712654.db2.gz BQWVKAPCXGPWLG-WSTZPKSXSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001103664436 1365712656 /nfs/dbraw/zinc/71/26/56/1365712656.db2.gz BQWVKAPCXGPWLG-WSTZPKSXSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001104264490 1365971817 /nfs/dbraw/zinc/97/18/17/1365971817.db2.gz OVLOFEVGTXLRNB-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC(C)(CNC(=O)CCc2cnc[nH]2)CC1 ZINC001324867743 1387797186 /nfs/dbraw/zinc/79/71/86/1387797186.db2.gz DLFHLGTVPMIXFO-KRWDZBQOSA-N 2 1 348.535 3.243 20 0 EGADMP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCC1 ZINC001105539798 1366518763 /nfs/dbraw/zinc/51/87/63/1366518763.db2.gz PWKPCJCVWSLBBR-OTWHNJEPSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CC=C(C)C)CCC1 ZINC001105575307 1366540590 /nfs/dbraw/zinc/54/05/90/1366540590.db2.gz YFKMKAXWZRVCKG-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)c2ccccc2)[C@H](C)C1 ZINC001106336691 1366659947 /nfs/dbraw/zinc/65/99/47/1366659947.db2.gz ZUROFNMUHFGTIF-ZHALLVOQSA-N 2 1 345.531 3.162 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCC(C)C)[C@H](C)C1 ZINC001106775391 1366794644 /nfs/dbraw/zinc/79/46/44/1366794644.db2.gz BIGCWRGDLCJJSZ-RTBURBONSA-N 2 1 339.568 3.229 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439413 1366963718 /nfs/dbraw/zinc/96/37/18/1366963718.db2.gz ZZNQORQYQMJVJQ-IAOFLLFISA-N 2 1 347.547 3.044 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[NH+](CC=C(C)C)CC2 ZINC001107454311 1366968823 /nfs/dbraw/zinc/96/88/23/1366968823.db2.gz BEQIMTFUCATPTM-YLJYHZDGSA-N 2 1 335.536 3.044 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC=C(C)C)CC2 ZINC001107454311 1366968827 /nfs/dbraw/zinc/96/88/27/1366968827.db2.gz BEQIMTFUCATPTM-YLJYHZDGSA-N 2 1 335.536 3.044 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC=C(C)C)CC2 ZINC001107454311 1366968830 /nfs/dbraw/zinc/96/88/30/1366968830.db2.gz BEQIMTFUCATPTM-YLJYHZDGSA-N 2 1 335.536 3.044 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189309977 1366984949 /nfs/dbraw/zinc/98/49/49/1366984949.db2.gz DAKSXQAIPGJEQS-SLFFLAALSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC3CCCC3)C[C@H]21 ZINC001189453044 1367024822 /nfs/dbraw/zinc/02/48/22/1367024822.db2.gz CHVJGGMANMWZNM-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC001189453044 1367024828 /nfs/dbraw/zinc/02/48/28/1367024828.db2.gz CHVJGGMANMWZNM-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC001189453044 1367024831 /nfs/dbraw/zinc/02/48/31/1367024831.db2.gz CHVJGGMANMWZNM-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC(C)C)CC2)[NH+](C)C ZINC001107554740 1367040625 /nfs/dbraw/zinc/04/06/25/1367040625.db2.gz LQPGWUNQINUBIY-NLWGTHIKSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107583273 1367057254 /nfs/dbraw/zinc/05/72/54/1367057254.db2.gz UDQCKMYPGUVGAJ-BVUSGXHMSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CCC)CCC[C@@H]12 ZINC001107614549 1367073664 /nfs/dbraw/zinc/07/36/64/1367073664.db2.gz FPURMSHFNFJKQK-CWHLKURSSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107614549 1367073669 /nfs/dbraw/zinc/07/36/69/1367073669.db2.gz FPURMSHFNFJKQK-CWHLKURSSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107614549 1367073672 /nfs/dbraw/zinc/07/36/72/1367073672.db2.gz FPURMSHFNFJKQK-CWHLKURSSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001324958629 1387852058 /nfs/dbraw/zinc/85/20/58/1387852058.db2.gz VPVUYRQKFQWCJC-NRFANRHFSA-N 2 1 349.563 3.127 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001109417458 1367112386 /nfs/dbraw/zinc/11/23/86/1367112386.db2.gz CNCOSLSWSKPLKI-YRPNKDGESA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001109417458 1367112389 /nfs/dbraw/zinc/11/23/89/1367112389.db2.gz CNCOSLSWSKPLKI-YRPNKDGESA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001109417458 1367112393 /nfs/dbraw/zinc/11/23/93/1367112393.db2.gz CNCOSLSWSKPLKI-YRPNKDGESA-N 2 1 345.531 3.083 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001109419666 1367113367 /nfs/dbraw/zinc/11/33/67/1367113367.db2.gz ZIEGHHTXOOPSHP-MHORFTMASA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001109419666 1367113368 /nfs/dbraw/zinc/11/33/68/1367113368.db2.gz ZIEGHHTXOOPSHP-MHORFTMASA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001109419666 1367113370 /nfs/dbraw/zinc/11/33/70/1367113370.db2.gz ZIEGHHTXOOPSHP-MHORFTMASA-N 2 1 335.536 3.019 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC3CCC(C)CC3)C[C@H]21 ZINC001189912829 1367130532 /nfs/dbraw/zinc/13/05/32/1367130532.db2.gz HFYPOBYNTPSVHI-GHBBCFCZSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC3CCC(C)CC3)C[C@H]21 ZINC001189912829 1367130533 /nfs/dbraw/zinc/13/05/33/1367130533.db2.gz HFYPOBYNTPSVHI-GHBBCFCZSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC3CCC(C)CC3)C[C@H]21 ZINC001189912829 1367130538 /nfs/dbraw/zinc/13/05/38/1367130538.db2.gz HFYPOBYNTPSVHI-GHBBCFCZSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109563504 1367200383 /nfs/dbraw/zinc/20/03/83/1367200383.db2.gz WXBDEVGDYXTSEW-QYZOEREBSA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001109563504 1367200388 /nfs/dbraw/zinc/20/03/88/1367200388.db2.gz WXBDEVGDYXTSEW-QYZOEREBSA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001109563504 1367200392 /nfs/dbraw/zinc/20/03/92/1367200392.db2.gz WXBDEVGDYXTSEW-QYZOEREBSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)(C)CCC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190323794 1367227164 /nfs/dbraw/zinc/22/71/64/1367227164.db2.gz FGGFNNPWOKHKKD-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672746 1367275113 /nfs/dbraw/zinc/27/51/13/1367275113.db2.gz ROURECCIBWJGPQ-ZSGPHXLJSA-N 2 1 349.906 3.074 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190656551 1367320090 /nfs/dbraw/zinc/32/00/90/1367320090.db2.gz UZYLGPKGVWCJSH-OYQYDDJWSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190656551 1367320094 /nfs/dbraw/zinc/32/00/94/1367320094.db2.gz UZYLGPKGVWCJSH-OYQYDDJWSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190656551 1367320100 /nfs/dbraw/zinc/32/01/00/1367320100.db2.gz UZYLGPKGVWCJSH-OYQYDDJWSA-N 2 1 349.563 3.243 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798577 1367328768 /nfs/dbraw/zinc/32/87/68/1367328768.db2.gz JDLFKNLBJRRMIZ-RRLLLCOMSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001109798577 1367328772 /nfs/dbraw/zinc/32/87/72/1367328772.db2.gz JDLFKNLBJRRMIZ-RRLLLCOMSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001109798577 1367328781 /nfs/dbraw/zinc/32/87/81/1367328781.db2.gz JDLFKNLBJRRMIZ-RRLLLCOMSA-N 2 1 347.547 3.327 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001109841167 1367351789 /nfs/dbraw/zinc/35/17/89/1367351789.db2.gz KUKOJLJVPLGBFZ-AABGKKOBSA-N 2 1 343.515 3.274 20 0 EGADMP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109844768 1367354719 /nfs/dbraw/zinc/35/47/19/1367354719.db2.gz HBIZBOLTZKQXIY-AFUKVVIOSA-N 2 1 344.503 3.050 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109844768 1367354721 /nfs/dbraw/zinc/35/47/21/1367354721.db2.gz HBIZBOLTZKQXIY-AFUKVVIOSA-N 2 1 344.503 3.050 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001191031167 1367405878 /nfs/dbraw/zinc/40/58/78/1367405878.db2.gz YAEXQUJUFOEWQF-LJQANCHMSA-N 2 1 345.531 3.066 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001191031167 1367405882 /nfs/dbraw/zinc/40/58/82/1367405882.db2.gz YAEXQUJUFOEWQF-LJQANCHMSA-N 2 1 345.531 3.066 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001110016519 1367459420 /nfs/dbraw/zinc/45/94/20/1367459420.db2.gz SBHVQGSCCMOTRY-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001110016519 1367459422 /nfs/dbraw/zinc/45/94/22/1367459422.db2.gz SBHVQGSCCMOTRY-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001110016519 1367459426 /nfs/dbraw/zinc/45/94/26/1367459426.db2.gz SBHVQGSCCMOTRY-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001110019430 1367461003 /nfs/dbraw/zinc/46/10/03/1367461003.db2.gz WXZOHVYCJNGGQX-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001110019430 1367461007 /nfs/dbraw/zinc/46/10/07/1367461007.db2.gz WXZOHVYCJNGGQX-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001110019430 1367461012 /nfs/dbraw/zinc/46/10/12/1367461012.db2.gz WXZOHVYCJNGGQX-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001110148122 1367525805 /nfs/dbraw/zinc/52/58/05/1367525805.db2.gz KIGFZJSQXIRWPT-AABGKKOBSA-N 2 1 347.547 3.164 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CC)C2 ZINC001108794091 1367599852 /nfs/dbraw/zinc/59/98/52/1367599852.db2.gz NZCHEKZRFXXQTO-AMIRNFFCSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(CC)CC)C2)C1 ZINC001191921785 1367640195 /nfs/dbraw/zinc/64/01/95/1367640195.db2.gz FSOWKCNXAGCNBJ-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]([N@H+](C)CC(CC)CC)C2)C1 ZINC001191921785 1367640199 /nfs/dbraw/zinc/64/01/99/1367640199.db2.gz FSOWKCNXAGCNBJ-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CC(CC)CC)C2)C1 ZINC001191921785 1367640204 /nfs/dbraw/zinc/64/02/04/1367640204.db2.gz FSOWKCNXAGCNBJ-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1)[NH+](CC)CC ZINC001192325589 1367752612 /nfs/dbraw/zinc/75/26/12/1367752612.db2.gz MAYWGDZHOKSSAK-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671467 1367846294 /nfs/dbraw/zinc/84/62/94/1367846294.db2.gz KXPNVYBOZBLFCY-PWBPZBFBSA-N 2 1 335.536 3.138 20 0 EGADMP CC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192671467 1367846296 /nfs/dbraw/zinc/84/62/96/1367846296.db2.gz KXPNVYBOZBLFCY-PWBPZBFBSA-N 2 1 335.536 3.138 20 0 EGADMP CC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192671467 1367846304 /nfs/dbraw/zinc/84/63/04/1367846304.db2.gz KXPNVYBOZBLFCY-PWBPZBFBSA-N 2 1 335.536 3.138 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110657900 1367901697 /nfs/dbraw/zinc/90/16/97/1367901697.db2.gz DIVXOTLZOHXPRJ-ZFTSPJNCSA-N 2 1 347.547 3.042 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001110657900 1367901702 /nfs/dbraw/zinc/90/17/02/1367901702.db2.gz DIVXOTLZOHXPRJ-ZFTSPJNCSA-N 2 1 347.547 3.042 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001110657900 1367901709 /nfs/dbraw/zinc/90/17/09/1367901709.db2.gz DIVXOTLZOHXPRJ-ZFTSPJNCSA-N 2 1 347.547 3.042 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110748475 1367958549 /nfs/dbraw/zinc/95/85/49/1367958549.db2.gz FSZZDALTBNHKTQ-QRVBRYPASA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001110748475 1367958550 /nfs/dbraw/zinc/95/85/50/1367958550.db2.gz FSZZDALTBNHKTQ-QRVBRYPASA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001110748475 1367958551 /nfs/dbraw/zinc/95/85/51/1367958551.db2.gz FSZZDALTBNHKTQ-QRVBRYPASA-N 2 1 349.563 3.407 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2cc(C)ccc2C)C1 ZINC001193280021 1367990079 /nfs/dbraw/zinc/99/00/79/1367990079.db2.gz SUSWQRDHXNUJIC-OALUTQOASA-N 2 1 345.531 3.239 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2cc(C)ccc2C)C1 ZINC001193280021 1367990085 /nfs/dbraw/zinc/99/00/85/1367990085.db2.gz SUSWQRDHXNUJIC-OALUTQOASA-N 2 1 345.531 3.239 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2cc(C)ccc2C)C1 ZINC001193280021 1367990088 /nfs/dbraw/zinc/99/00/88/1367990088.db2.gz SUSWQRDHXNUJIC-OALUTQOASA-N 2 1 345.531 3.239 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857589 1368037551 /nfs/dbraw/zinc/03/75/51/1368037551.db2.gz JEZIVJSOBUMBDC-QRVBRYPASA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C)c(C)c2)C1 ZINC001193600967 1368070349 /nfs/dbraw/zinc/07/03/49/1368070349.db2.gz PJQRWWFYWQMMJR-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001193600967 1368070355 /nfs/dbraw/zinc/07/03/55/1368070355.db2.gz PJQRWWFYWQMMJR-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001193600967 1368070357 /nfs/dbraw/zinc/07/03/57/1368070357.db2.gz PJQRWWFYWQMMJR-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2cccc(CC)c2)C1 ZINC001193601066 1368070509 /nfs/dbraw/zinc/07/05/09/1368070509.db2.gz RHYZJQVYEKRCEG-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(CC)c2)C1 ZINC001193601066 1368070514 /nfs/dbraw/zinc/07/05/14/1368070514.db2.gz RHYZJQVYEKRCEG-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(CC)c2)C1 ZINC001193601066 1368070516 /nfs/dbraw/zinc/07/05/16/1368070516.db2.gz RHYZJQVYEKRCEG-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001193610020 1368073862 /nfs/dbraw/zinc/07/38/62/1368073862.db2.gz LCIAZLSZPVCOPR-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2ccccc2)C1 ZINC001193610020 1368073867 /nfs/dbraw/zinc/07/38/67/1368073867.db2.gz LCIAZLSZPVCOPR-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2ccccc2)C1 ZINC001193610020 1368073871 /nfs/dbraw/zinc/07/38/71/1368073871.db2.gz LCIAZLSZPVCOPR-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001110934759 1368105174 /nfs/dbraw/zinc/10/51/74/1368105174.db2.gz MOWMTTMRYRJFPV-MANSERQUSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001110934759 1368105177 /nfs/dbraw/zinc/10/51/77/1368105177.db2.gz MOWMTTMRYRJFPV-MANSERQUSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001110934759 1368105179 /nfs/dbraw/zinc/10/51/79/1368105179.db2.gz MOWMTTMRYRJFPV-MANSERQUSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1)[NH+](C)C ZINC001110993105 1368138209 /nfs/dbraw/zinc/13/82/09/1368138209.db2.gz MICSVPNXZPVPCM-YSTOQKLRSA-N 2 1 349.563 3.265 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194246773 1368217290 /nfs/dbraw/zinc/21/72/90/1368217290.db2.gz RPWIBKKWJQDRBR-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001111269213 1368235809 /nfs/dbraw/zinc/23/58/09/1368235809.db2.gz VRAOLLKHCOGKPG-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC2(CCC2)C1 ZINC001111307782 1368262252 /nfs/dbraw/zinc/26/22/52/1368262252.db2.gz WYABHPMJPQMHKH-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC2(CCC2)C1 ZINC001111307782 1368262254 /nfs/dbraw/zinc/26/22/54/1368262254.db2.gz WYABHPMJPQMHKH-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC2(CCC2)C1 ZINC001111307782 1368262260 /nfs/dbraw/zinc/26/22/60/1368262260.db2.gz WYABHPMJPQMHKH-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CC1CC(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC[NH+]2CCCC2)C3)C1 ZINC001111498357 1368321013 /nfs/dbraw/zinc/32/10/13/1368321013.db2.gz QGFAFNBPVRZEDA-WKXIVMOISA-N 2 1 347.547 3.020 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001111740945 1368438282 /nfs/dbraw/zinc/43/82/82/1368438282.db2.gz VABKVHRXXHUUHI-BJLQDIEVSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001111740945 1368438284 /nfs/dbraw/zinc/43/82/84/1368438284.db2.gz VABKVHRXXHUUHI-BJLQDIEVSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001111740945 1368438286 /nfs/dbraw/zinc/43/82/86/1368438286.db2.gz VABKVHRXXHUUHI-BJLQDIEVSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001111818180 1368480214 /nfs/dbraw/zinc/48/02/14/1368480214.db2.gz UQRFTRCOUIOOFD-PXNSSMCTSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001111818180 1368480220 /nfs/dbraw/zinc/48/02/20/1368480220.db2.gz UQRFTRCOUIOOFD-PXNSSMCTSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001111818180 1368480221 /nfs/dbraw/zinc/48/02/21/1368480221.db2.gz UQRFTRCOUIOOFD-PXNSSMCTSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001111846975 1368501243 /nfs/dbraw/zinc/50/12/43/1368501243.db2.gz GIDXQWKOJCERQV-DYXWJJEUSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001111846975 1368501246 /nfs/dbraw/zinc/50/12/46/1368501246.db2.gz GIDXQWKOJCERQV-DYXWJJEUSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001111846975 1368501251 /nfs/dbraw/zinc/50/12/51/1368501251.db2.gz GIDXQWKOJCERQV-DYXWJJEUSA-N 2 1 349.563 3.269 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001195853090 1368503599 /nfs/dbraw/zinc/50/35/99/1368503599.db2.gz GSBPWNRKACDPIH-UHDDOPSISA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001195853090 1368503603 /nfs/dbraw/zinc/50/36/03/1368503603.db2.gz GSBPWNRKACDPIH-UHDDOPSISA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001195853090 1368503607 /nfs/dbraw/zinc/50/36/07/1368503607.db2.gz GSBPWNRKACDPIH-UHDDOPSISA-N 2 1 347.547 3.142 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001111890842 1368535497 /nfs/dbraw/zinc/53/54/97/1368535497.db2.gz BOXYPHUTPWGAMK-DYXWJJEUSA-N 2 1 349.563 3.412 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111926929 1368563636 /nfs/dbraw/zinc/56/36/36/1368563636.db2.gz QEHZDOYJJJKEJT-LGYYHMKYSA-N 2 1 335.536 3.045 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CC)C1 ZINC001111926929 1368563638 /nfs/dbraw/zinc/56/36/38/1368563638.db2.gz QEHZDOYJJJKEJT-LGYYHMKYSA-N 2 1 335.536 3.045 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CC)C1 ZINC001111926929 1368563642 /nfs/dbraw/zinc/56/36/42/1368563642.db2.gz QEHZDOYJJJKEJT-LGYYHMKYSA-N 2 1 335.536 3.045 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[NH+](Cc2c(C)cccc2C)CC1 ZINC001196349356 1368595621 /nfs/dbraw/zinc/59/56/21/1368595621.db2.gz HAHDXZGNTZCRQB-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+](Cc2c(C)cccc2C)CC1 ZINC001196349356 1368595623 /nfs/dbraw/zinc/59/56/23/1368595623.db2.gz HAHDXZGNTZCRQB-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+](Cc2c(C)cccc2C)CC1 ZINC001196349356 1368595628 /nfs/dbraw/zinc/59/56/28/1368595628.db2.gz HAHDXZGNTZCRQB-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CCCC[N@@H+](CCOC(=O)N(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196545948 1368636103 /nfs/dbraw/zinc/63/61/03/1368636103.db2.gz VRAGVBUNUZIFKW-UHFFFAOYSA-N 2 1 327.513 3.096 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196642054 1368654216 /nfs/dbraw/zinc/65/42/16/1368654216.db2.gz YCFNKLLQNMTVLX-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCCC1 ZINC001196656922 1368656911 /nfs/dbraw/zinc/65/69/11/1368656911.db2.gz WMHDQOLFOKEQNU-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970655 1368723385 /nfs/dbraw/zinc/72/33/85/1368723385.db2.gz PHOSWPQSIMCFIM-UHFFFAOYSA-N 2 1 345.531 3.186 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001197125885 1368749683 /nfs/dbraw/zinc/74/96/83/1368749683.db2.gz NYJIGAFWVKJLBF-LAQIPUCWSA-N 2 1 344.503 3.110 20 0 EGADMP CC[C@@H](C(=O)N1CCC[N@@H+](CC2CC(C)(C)C2)CC1)[NH+](CC)CC ZINC001197141339 1368753676 /nfs/dbraw/zinc/75/36/76/1368753676.db2.gz GZFNVQXLUGAFBB-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C(=O)N1CCC[N@@H+](CCC(C)(C)C)CC1)[NH+](CC)CC ZINC001197141675 1368753744 /nfs/dbraw/zinc/75/37/44/1368753744.db2.gz MAOSWAIWTMHCBL-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CC[C@H](C(=O)N1CCC[N@H+]([C@@H](C)c2ccccc2)CC1)[NH+](CC)CC ZINC001197141588 1368753750 /nfs/dbraw/zinc/75/37/50/1368753750.db2.gz JUADPFRHWAYDMR-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001197181199 1368760904 /nfs/dbraw/zinc/76/09/04/1368760904.db2.gz TVIHYQINITVHFK-HJWRWDBZSA-N 2 1 337.552 3.245 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001197181199 1368760907 /nfs/dbraw/zinc/76/09/07/1368760907.db2.gz TVIHYQINITVHFK-HJWRWDBZSA-N 2 1 337.552 3.245 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001197181199 1368760910 /nfs/dbraw/zinc/76/09/10/1368760910.db2.gz TVIHYQINITVHFK-HJWRWDBZSA-N 2 1 337.552 3.245 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001197404314 1368807589 /nfs/dbraw/zinc/80/75/89/1368807589.db2.gz XQMVNSGDDHRIOF-MOPGFXCFSA-N 2 1 335.536 3.118 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001197404314 1368807590 /nfs/dbraw/zinc/80/75/90/1368807590.db2.gz XQMVNSGDDHRIOF-MOPGFXCFSA-N 2 1 335.536 3.118 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001197404314 1368807595 /nfs/dbraw/zinc/80/75/95/1368807595.db2.gz XQMVNSGDDHRIOF-MOPGFXCFSA-N 2 1 335.536 3.118 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001197448370 1368816958 /nfs/dbraw/zinc/81/69/58/1368816958.db2.gz WULDDJCNGNPTCX-UHFFFAOYSA-N 2 1 345.531 3.332 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197477215 1368823533 /nfs/dbraw/zinc/82/35/33/1368823533.db2.gz DGLYWZGGXADSBU-LJQANCHMSA-N 2 1 339.568 3.467 20 0 EGADMP CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001112432212 1368848286 /nfs/dbraw/zinc/84/82/86/1368848286.db2.gz YZXUPSXTAYZGIJ-OMNYCCODSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCCN(C(=O)CC[NH+](C)CC)CC1 ZINC001197707862 1368877633 /nfs/dbraw/zinc/87/76/33/1368877633.db2.gz POBRCIKNHNZQCH-IBGZPJMESA-N 2 1 349.494 3.153 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001197707862 1368877636 /nfs/dbraw/zinc/87/76/36/1368877636.db2.gz POBRCIKNHNZQCH-IBGZPJMESA-N 2 1 349.494 3.153 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001197707862 1368877641 /nfs/dbraw/zinc/87/76/41/1368877641.db2.gz POBRCIKNHNZQCH-IBGZPJMESA-N 2 1 349.494 3.153 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001197809514 1368903536 /nfs/dbraw/zinc/90/35/36/1368903536.db2.gz BRPXLAKXQFJGIL-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001112539818 1368920336 /nfs/dbraw/zinc/92/03/36/1368920336.db2.gz SDEZBTIOFTXPRU-PXNSSMCTSA-N 2 1 346.519 3.025 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198135864 1368965649 /nfs/dbraw/zinc/96/56/49/1368965649.db2.gz AZQRIXCATUTXHH-ONEGZZNKSA-N 2 1 335.536 3.143 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001198259810 1368991912 /nfs/dbraw/zinc/99/19/12/1368991912.db2.gz RKXGVIKEDMTQDU-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[NH+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001198259071 1368992277 /nfs/dbraw/zinc/99/22/77/1368992277.db2.gz KKNXHLYNQDJDCT-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[N@H+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001198259071 1368992282 /nfs/dbraw/zinc/99/22/82/1368992282.db2.gz KKNXHLYNQDJDCT-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[N@@H+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001198259071 1368992286 /nfs/dbraw/zinc/99/22/86/1368992286.db2.gz KKNXHLYNQDJDCT-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)CN(C)Cc2ccccc2)CC1 ZINC001198363969 1369016251 /nfs/dbraw/zinc/01/62/51/1369016251.db2.gz HMTMWONZPBZQIO-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CC(C)CCC[N@@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198363969 1369016255 /nfs/dbraw/zinc/01/62/55/1369016255.db2.gz HMTMWONZPBZQIO-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198363969 1369016261 /nfs/dbraw/zinc/01/62/61/1369016261.db2.gz HMTMWONZPBZQIO-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CC(C)CCC[NH+]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001198363969 1369016265 /nfs/dbraw/zinc/01/62/65/1369016265.db2.gz HMTMWONZPBZQIO-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CC(C)CCC[NH+]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001198363969 1369016271 /nfs/dbraw/zinc/01/62/71/1369016271.db2.gz HMTMWONZPBZQIO-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCCCCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001112854975 1369048434 /nfs/dbraw/zinc/04/84/34/1369048434.db2.gz GFFQMHVLAUFCCJ-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001325458229 1387979829 /nfs/dbraw/zinc/97/98/29/1387979829.db2.gz VKIRNSAGCQQLSK-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)(C)CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001112964922 1369112187 /nfs/dbraw/zinc/11/21/87/1369112187.db2.gz CKDJJNSLJWMBCW-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@@H+](CC3CCC3)CC2)CC1 ZINC001186604439 1387983466 /nfs/dbraw/zinc/98/34/66/1387983466.db2.gz DFABAMWHKNVOPD-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001113054219 1369169123 /nfs/dbraw/zinc/16/91/23/1369169123.db2.gz ZCLURSXKOQUBPZ-AATRIKPKSA-N 2 1 340.471 3.147 20 0 EGADMP CCc1ccccc1C[NH+]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001113337082 1369357868 /nfs/dbraw/zinc/35/78/68/1369357868.db2.gz PKGGOYOWTQQULB-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001200578561 1369394091 /nfs/dbraw/zinc/39/40/91/1369394091.db2.gz XFPZPWPCSJDLFX-HSJMLMCGSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001200645060 1369404888 /nfs/dbraw/zinc/40/48/88/1369404888.db2.gz YXOUXYCTFAZWLM-AWTIPJNISA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201053451 1369472973 /nfs/dbraw/zinc/47/29/73/1369472973.db2.gz PRFGEQUSNMZKQI-IBGZPJMESA-N 2 1 349.563 3.410 20 0 EGADMP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201053432 1369473022 /nfs/dbraw/zinc/47/30/22/1369473022.db2.gz OYJURCVIXMYXLH-WUUFJKRQSA-N 2 1 347.547 3.330 20 0 EGADMP c1nc2n(c1C[NH+]1CCCCC1)CC[N@H+](C[C@H]1CC=CCC1)CC2 ZINC001201417316 1369541699 /nfs/dbraw/zinc/54/16/99/1369541699.db2.gz RYHHXIANAAQAKH-SFHVURJKSA-N 2 1 328.504 3.083 20 0 EGADMP CCC[C@H](C)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001201543155 1369569212 /nfs/dbraw/zinc/56/92/12/1369569212.db2.gz CAPWBSKGIVJCGH-YRPNKDGESA-N 2 1 332.536 3.493 20 0 EGADMP CCC[C@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001201543155 1369569217 /nfs/dbraw/zinc/56/92/17/1369569217.db2.gz CAPWBSKGIVJCGH-YRPNKDGESA-N 2 1 332.536 3.493 20 0 EGADMP CCC[C@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001201543155 1369569223 /nfs/dbraw/zinc/56/92/23/1369569223.db2.gz CAPWBSKGIVJCGH-YRPNKDGESA-N 2 1 332.536 3.493 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001201638176 1369594280 /nfs/dbraw/zinc/59/42/80/1369594280.db2.gz IRURPHZSIKPYNZ-CTNGQTDRSA-N 2 1 343.515 3.042 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001201638176 1369594284 /nfs/dbraw/zinc/59/42/84/1369594284.db2.gz IRURPHZSIKPYNZ-CTNGQTDRSA-N 2 1 343.515 3.042 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001201638176 1369594288 /nfs/dbraw/zinc/59/42/88/1369594288.db2.gz IRURPHZSIKPYNZ-CTNGQTDRSA-N 2 1 343.515 3.042 20 0 EGADMP CC(C)=CC[NH2+]C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001201817719 1369628170 /nfs/dbraw/zinc/62/81/70/1369628170.db2.gz DFUHIMGNJQVMTP-UHFFFAOYSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)=CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001202156540 1369702969 /nfs/dbraw/zinc/70/29/69/1369702969.db2.gz GROBPDXFFISIDJ-HXUWFJFHSA-N 2 1 347.547 3.330 20 0 EGADMP CCCCC[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001202757692 1369881424 /nfs/dbraw/zinc/88/14/24/1369881424.db2.gz PJSIMOFHUIJLNX-UHFFFAOYSA-N 2 1 334.508 3.167 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(CC)CC)C1 ZINC001186981046 1388035014 /nfs/dbraw/zinc/03/50/14/1388035014.db2.gz KGLYMYJGFNGWIN-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001202772979 1369887078 /nfs/dbraw/zinc/88/70/78/1369887078.db2.gz VZPKQUQITGCEHQ-LJQANCHMSA-N 2 1 337.552 3.266 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001202862986 1369910567 /nfs/dbraw/zinc/91/05/67/1369910567.db2.gz HYBJTKIXJWURTF-UNQUKWGNSA-N 2 1 347.547 3.330 20 0 EGADMP CCC1(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)COC1 ZINC001202958655 1369936259 /nfs/dbraw/zinc/93/62/59/1369936259.db2.gz TXKGQWUTKCFAEC-SXLOBPIMSA-N 2 1 343.515 3.041 20 0 EGADMP CCC1(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)COC1 ZINC001202958655 1369936263 /nfs/dbraw/zinc/93/62/63/1369936263.db2.gz TXKGQWUTKCFAEC-SXLOBPIMSA-N 2 1 343.515 3.041 20 0 EGADMP CCC1(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)COC1 ZINC001202958655 1369936267 /nfs/dbraw/zinc/93/62/67/1369936267.db2.gz TXKGQWUTKCFAEC-SXLOBPIMSA-N 2 1 343.515 3.041 20 0 EGADMP CCC1(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)COC1 ZINC001202958655 1369936272 /nfs/dbraw/zinc/93/62/72/1369936272.db2.gz TXKGQWUTKCFAEC-SXLOBPIMSA-N 2 1 343.515 3.041 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC([NH2+]CC2CCCC2)CC1 ZINC001202973393 1369942681 /nfs/dbraw/zinc/94/26/81/1369942681.db2.gz GLVOKHRPARXAFC-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP C[N@@H+](Cc1cccc2nonc21)C1CC[NH+](C2CCCCC2)CC1 ZINC001203142171 1369997417 /nfs/dbraw/zinc/99/74/17/1369997417.db2.gz CNVAAXPFXMAHFR-UHFFFAOYSA-N 2 1 328.460 3.452 20 0 EGADMP CCCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203230550 1370033089 /nfs/dbraw/zinc/03/30/89/1370033089.db2.gz NUEMSKAAJMBNOG-RTBURBONSA-N 2 1 349.563 3.458 20 0 EGADMP CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001114729388 1370051357 /nfs/dbraw/zinc/05/13/57/1370051357.db2.gz QHDPVJQFSXYWLZ-WCIQWLHISA-N 2 1 347.547 3.020 20 0 EGADMP CCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001114729388 1370051360 /nfs/dbraw/zinc/05/13/60/1370051360.db2.gz QHDPVJQFSXYWLZ-WCIQWLHISA-N 2 1 347.547 3.020 20 0 EGADMP CCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001114729388 1370051367 /nfs/dbraw/zinc/05/13/67/1370051367.db2.gz QHDPVJQFSXYWLZ-WCIQWLHISA-N 2 1 347.547 3.020 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccco3)C[C@@H]21 ZINC001203278175 1370057613 /nfs/dbraw/zinc/05/76/13/1370057613.db2.gz DZRJOWNCQFVZRT-FFZOFVMBSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccco3)C[C@@H]21 ZINC001203278175 1370057618 /nfs/dbraw/zinc/05/76/18/1370057618.db2.gz DZRJOWNCQFVZRT-FFZOFVMBSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccco3)C[C@@H]21 ZINC001203278175 1370057621 /nfs/dbraw/zinc/05/76/21/1370057621.db2.gz DZRJOWNCQFVZRT-FFZOFVMBSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccco3)C[C@@H]21 ZINC001203278175 1370057625 /nfs/dbraw/zinc/05/76/25/1370057625.db2.gz DZRJOWNCQFVZRT-FFZOFVMBSA-N 2 1 325.456 3.407 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC001203278175 1370057630 /nfs/dbraw/zinc/05/76/30/1370057630.db2.gz DZRJOWNCQFVZRT-FFZOFVMBSA-N 2 1 325.456 3.407 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC001203278175 1370057634 /nfs/dbraw/zinc/05/76/34/1370057634.db2.gz DZRJOWNCQFVZRT-FFZOFVMBSA-N 2 1 325.456 3.407 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]Cc2cc(C)ccc2C)CC1 ZINC001203431350 1370123248 /nfs/dbraw/zinc/12/32/48/1370123248.db2.gz CDCLQZKGYIGZJZ-UHFFFAOYSA-N 2 1 345.531 3.116 20 0 EGADMP CCCCC[NH2+][C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203494043 1370144933 /nfs/dbraw/zinc/14/49/33/1370144933.db2.gz YVJQBOQACIYQRO-MSOLQXFVSA-N 2 1 346.519 3.179 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203579379 1370177476 /nfs/dbraw/zinc/17/74/76/1370177476.db2.gz ZKPRJFNCFGCXNL-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203579378 1370177530 /nfs/dbraw/zinc/17/75/30/1370177530.db2.gz ZKPRJFNCFGCXNL-RBUKOAKNSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203652726 1370202568 /nfs/dbraw/zinc/20/25/68/1370202568.db2.gz XAECORGTBFPLJY-MOPGFXCFSA-N 2 1 349.563 3.316 20 0 EGADMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C)cc3C)CC2)C1 ZINC001203739319 1370243594 /nfs/dbraw/zinc/24/35/94/1370243594.db2.gz HQDNIOLOHADAJI-IBGZPJMESA-N 2 1 344.499 3.153 20 0 EGADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C)cc3C)CC2)C1 ZINC001203739319 1370243597 /nfs/dbraw/zinc/24/35/97/1370243597.db2.gz HQDNIOLOHADAJI-IBGZPJMESA-N 2 1 344.499 3.153 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203791217 1370266034 /nfs/dbraw/zinc/26/60/34/1370266034.db2.gz FKEWSDCGQGYGRB-RBUKOAKNSA-N 2 1 347.547 3.234 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203794214 1370267969 /nfs/dbraw/zinc/26/79/69/1370267969.db2.gz VSHCURZVMQQLJS-HNGSOEQISA-N 2 1 335.536 3.090 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001115111448 1370286088 /nfs/dbraw/zinc/28/60/88/1370286088.db2.gz QDVVFCGXHVDZHD-SNVCYTGHSA-N 2 1 349.563 3.291 20 0 EGADMP CC(=O)Nc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001203928049 1370318479 /nfs/dbraw/zinc/31/84/79/1370318479.db2.gz SWIWTLNVPXZNRE-SFTDATJTSA-N 2 1 349.478 3.209 20 0 EGADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc[nH]4)CC3)C2)cc1 ZINC001204004559 1370345627 /nfs/dbraw/zinc/34/56/27/1370345627.db2.gz DDOSHZYXOOUUIB-UHFFFAOYSA-N 2 1 339.483 3.190 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001115306198 1370370326 /nfs/dbraw/zinc/37/03/26/1370370326.db2.gz KELPJYSGFJYQLE-FUMNGEBKSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CC[C@@]1(C)O ZINC001204263114 1370425489 /nfs/dbraw/zinc/42/54/89/1370425489.db2.gz GRMALGYSFQYHBO-YLJYHZDGSA-N 2 1 334.504 3.000 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)cc1 ZINC001204264685 1370426431 /nfs/dbraw/zinc/42/64/31/1370426431.db2.gz WGQIZDOJVHPXIJ-ROUUACIJSA-N 2 1 326.431 3.289 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)cc1 ZINC001204264685 1370426434 /nfs/dbraw/zinc/42/64/34/1370426434.db2.gz WGQIZDOJVHPXIJ-ROUUACIJSA-N 2 1 326.431 3.289 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115535256 1370532112 /nfs/dbraw/zinc/53/21/12/1370532112.db2.gz PCARQSZQHWBSLW-GOSISDBHSA-N 2 1 335.536 3.068 20 0 EGADMP Cc1ccc(Oc2cccc(C[N@@H+]3CCO[C@@H](CC[NH3+])C3)c2)cc1 ZINC001204756469 1370567458 /nfs/dbraw/zinc/56/74/58/1370567458.db2.gz PIKZSOADWFABED-FQEVSTJZSA-N 2 1 326.440 3.337 20 0 EGADMP Cc1ccc(Oc2cccc(C[N@H+]3CCO[C@@H](CC[NH3+])C3)c2)cc1 ZINC001204756469 1370567462 /nfs/dbraw/zinc/56/74/62/1370567462.db2.gz PIKZSOADWFABED-FQEVSTJZSA-N 2 1 326.440 3.337 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC2CCCCCC2)CC1 ZINC001204799508 1370578807 /nfs/dbraw/zinc/57/88/07/1370578807.db2.gz YYVAWBUWMVXSPU-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115579494 1370582868 /nfs/dbraw/zinc/58/28/68/1370582868.db2.gz REPZZWBRNFSYDV-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001115592175 1370593298 /nfs/dbraw/zinc/59/32/98/1370593298.db2.gz XEQGCSFTSANJLM-RTBURBONSA-N 2 1 347.547 3.378 20 0 EGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC001204877414 1370594540 /nfs/dbraw/zinc/59/45/40/1370594540.db2.gz INKDPFCDMVDHRS-AYBZRNKSSA-N 2 1 345.437 3.384 20 0 EGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC001204877414 1370594543 /nfs/dbraw/zinc/59/45/43/1370594543.db2.gz INKDPFCDMVDHRS-AYBZRNKSSA-N 2 1 345.437 3.384 20 0 EGADMP COc1ccc(CC[N@@H+](CCC[NH2+]C2CCCCC2)C[C@@H](C)O)cc1 ZINC001204896866 1370599425 /nfs/dbraw/zinc/59/94/25/1370599425.db2.gz QRDWMFLVCSIXDU-GOSISDBHSA-N 2 1 348.531 3.233 20 0 EGADMP CC[C@H](C)C[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)CC)CCCCC1 ZINC001115601515 1370600951 /nfs/dbraw/zinc/60/09/51/1370600951.db2.gz DXOGFYWUJMKHFL-INIZCTEOSA-N 2 1 325.541 3.172 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115630141 1370623210 /nfs/dbraw/zinc/62/32/10/1370623210.db2.gz BOFCFUSTEIQROI-UHFFFAOYSA-N 2 1 346.519 3.181 20 0 EGADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(OCC3CC3)c2)CC1 ZINC001205110266 1370653063 /nfs/dbraw/zinc/65/30/63/1370653063.db2.gz QJQVVJOALJRJKI-OAHLLOKOSA-N 2 1 340.414 3.390 20 0 EGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(OCC3CC3)c2)CC1 ZINC001205110266 1370653066 /nfs/dbraw/zinc/65/30/66/1370653066.db2.gz QJQVVJOALJRJKI-OAHLLOKOSA-N 2 1 340.414 3.390 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)CC1 ZINC001205219243 1370685283 /nfs/dbraw/zinc/68/52/83/1370685283.db2.gz BBABXWWTDYLFJQ-FQEVSTJZSA-N 2 1 328.431 3.168 20 0 EGADMP CCc1cccc2cc(C[N@H+]3CCC[C@](O)(C[NH3+])CC3)c(Cl)nc21 ZINC001205221390 1370685936 /nfs/dbraw/zinc/68/59/36/1370685936.db2.gz TZNRBJBJTZHQJK-LJQANCHMSA-N 2 1 347.890 3.126 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccccc2CCc2ccccc2)CC1 ZINC001205247078 1370695048 /nfs/dbraw/zinc/69/50/48/1370695048.db2.gz AMRXHRPMMPSKQN-QFIPXVFZSA-N 2 1 338.495 3.148 20 0 EGADMP C[C@]1([NH3+])CCC[N@H+](Cc2c[nH]c3nccc(Br)c23)CC1 ZINC001205273306 1370702917 /nfs/dbraw/zinc/70/29/17/1370702917.db2.gz KEYAXYJFCWKOAV-HNNXBMFYSA-N 2 1 337.265 3.029 20 0 EGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3nccc(Br)c23)CC1 ZINC001205273306 1370702922 /nfs/dbraw/zinc/70/29/22/1370702922.db2.gz KEYAXYJFCWKOAV-HNNXBMFYSA-N 2 1 337.265 3.029 20 0 EGADMP C[C@H]1CC[N@@H+](CCCc2ccccc2Br)C[C@@H]1C[NH3+] ZINC001205296379 1370710894 /nfs/dbraw/zinc/71/08/94/1370710894.db2.gz NUUPXMZAVYXHIM-ZFWWWQNUSA-N 2 1 325.294 3.298 20 0 EGADMP CC/C=C\CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115729462 1370711437 /nfs/dbraw/zinc/71/14/37/1370711437.db2.gz GSHDGXFTYKEOQA-XDXAGZTOSA-N 2 1 335.536 3.093 20 0 EGADMP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730485 1370712946 /nfs/dbraw/zinc/71/29/46/1370712946.db2.gz LAURHRBNWBEJLF-ZWKOTPCHSA-N 2 1 337.552 3.029 20 0 EGADMP Cc1cc(Br)cc(C)c1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205317694 1370719893 /nfs/dbraw/zinc/71/98/93/1370719893.db2.gz PNDQOCPOIYHVII-SMDDNHRTSA-N 2 1 325.294 3.483 20 0 EGADMP Cc1cc(Br)cc(C)c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205317694 1370719896 /nfs/dbraw/zinc/71/98/96/1370719896.db2.gz PNDQOCPOIYHVII-SMDDNHRTSA-N 2 1 325.294 3.483 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420537 1370749590 /nfs/dbraw/zinc/74/95/90/1370749590.db2.gz YXDJICVBTNKORE-ZMBJWTFHSA-N 2 1 335.536 3.045 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)[C@H](C)Cc2cnc[nH]2)CCCCC1 ZINC001115765814 1370750503 /nfs/dbraw/zinc/75/05/03/1370750503.db2.gz GYFVIHMCNFPPTD-MRXNPFEDSA-N 2 1 348.535 3.433 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC001187306749 1388092104 /nfs/dbraw/zinc/09/21/04/1388092104.db2.gz NXRYAFIHUSSNQP-RTBURBONSA-N 2 1 349.494 3.199 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC1([NH2+]CCC(C)C)CCCCC1 ZINC001115773099 1370756402 /nfs/dbraw/zinc/75/64/02/1370756402.db2.gz LJDQFMFUKNWRIB-UHFFFAOYSA-N 2 1 348.535 3.427 20 0 EGADMP CC(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205462131 1370763486 /nfs/dbraw/zinc/76/34/86/1370763486.db2.gz SQWVKGIAWOTJAI-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP COc1c(Br)cccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205560104 1370791045 /nfs/dbraw/zinc/79/10/45/1370791045.db2.gz ZZIIWQKRLKYPAB-HNNXBMFYSA-N 2 1 345.256 3.111 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2nc(Cl)ccc2C(F)(F)F)CC1 ZINC001205578585 1370798974 /nfs/dbraw/zinc/79/89/74/1370798974.db2.gz GGODVOHXYLYLIZ-ZDUSSCGKSA-N 2 1 339.764 3.407 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2nc(Cl)ccc2C(F)(F)F)CC1 ZINC001205578585 1370798975 /nfs/dbraw/zinc/79/89/75/1370798975.db2.gz GGODVOHXYLYLIZ-ZDUSSCGKSA-N 2 1 339.764 3.407 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001205593883 1370803312 /nfs/dbraw/zinc/80/33/12/1370803312.db2.gz HECILECJQIUFPZ-RRFGBZISSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCCN2Cc2ccccc2)CC[C@H]1C[NH3+] ZINC001205599814 1370806537 /nfs/dbraw/zinc/80/65/37/1370806537.db2.gz AFKBKBNWVCVIJZ-GIVPXCGWSA-N 2 1 329.532 3.348 20 0 EGADMP CC(C)Oc1cc(F)c(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c(F)c1 ZINC001205600024 1370807172 /nfs/dbraw/zinc/80/71/72/1370807172.db2.gz BANFXTBPGKENHE-KRWDZBQOSA-N 2 1 330.394 3.405 20 0 EGADMP CC(C)Oc1cc(F)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(F)c1 ZINC001205600024 1370807176 /nfs/dbraw/zinc/80/71/76/1370807176.db2.gz BANFXTBPGKENHE-KRWDZBQOSA-N 2 1 330.394 3.405 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cccc(Oc3ncccn3)c2)CC[C@@H]1C[NH3+] ZINC001205618215 1370813478 /nfs/dbraw/zinc/81/34/78/1370813478.db2.gz STDUYXHXNXGFJY-NVXWUHKLSA-N 2 1 326.444 3.076 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(Br)c1 ZINC001205629208 1370817367 /nfs/dbraw/zinc/81/73/67/1370817367.db2.gz YKMWMGHXYQANPW-STQMWFEESA-N 2 1 341.293 3.265 20 0 EGADMP COc1cc(Cl)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(OC)c1 ZINC001205639474 1370822696 /nfs/dbraw/zinc/82/26/96/1370822696.db2.gz ZGQHMVBNGQXOQE-STQMWFEESA-N 2 1 326.868 3.164 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2Oc2cnccn2)CC[C@@H]1C[NH3+] ZINC001205651111 1370827302 /nfs/dbraw/zinc/82/73/02/1370827302.db2.gz AFUKQMZFZGHXOW-HZPDHXFCSA-N 2 1 326.444 3.076 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c(Br)ccc(O)c2F)CC[C@H]1C[NH3+] ZINC001205651267 1370828685 /nfs/dbraw/zinc/82/86/85/1370828685.db2.gz BUJKISNEULTJEO-QWRGUYRKSA-N 2 1 345.256 3.101 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(O)cc3)n2)CC[C@@H]1C[NH3+] ZINC001205653725 1370830096 /nfs/dbraw/zinc/83/00/96/1370830096.db2.gz UUALZABEMNQWFN-UKRRQHHQSA-N 2 1 331.485 3.323 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc1OC(F)(F)F ZINC001205663344 1370833928 /nfs/dbraw/zinc/83/39/28/1370833928.db2.gz HWQJALLBWUQPSC-OCCSQVGLSA-N 2 1 346.393 3.401 20 0 EGADMP Cc1cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)ccc1Oc1ccccc1 ZINC001205735738 1370855539 /nfs/dbraw/zinc/85/55/39/1370855539.db2.gz QENRCDAUKFXWRP-NRFANRHFSA-N 2 1 340.467 3.463 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CCCc1ccc(Br)cc1 ZINC001205902824 1370905281 /nfs/dbraw/zinc/90/52/81/1370905281.db2.gz LWKKRJGRWMIKOW-ZFWWWQNUSA-N 2 1 325.294 3.441 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2cc(Br)ccc2[nH]1 ZINC001205901786 1370905300 /nfs/dbraw/zinc/90/53/00/1370905300.db2.gz GGXQUMHPMGPKQY-NWDGAFQWSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCc1ccc(Br)cc1 ZINC001205902822 1370905398 /nfs/dbraw/zinc/90/53/98/1370905398.db2.gz LWKKRJGRWMIKOW-UKRRQHHQSA-N 2 1 325.294 3.441 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205903475 1370906275 /nfs/dbraw/zinc/90/62/75/1370906275.db2.gz PMSHGHDHIREKOM-CABCVRRESA-N 2 1 343.471 3.212 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205903475 1370906279 /nfs/dbraw/zinc/90/62/79/1370906279.db2.gz PMSHGHDHIREKOM-CABCVRRESA-N 2 1 343.471 3.212 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccnc(OCc2ccccc2)c1 ZINC001205924418 1370913339 /nfs/dbraw/zinc/91/33/39/1370913339.db2.gz SPCLHBNCCLSRON-LPHOPBHVSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccnc(OCc2ccccc2)c1 ZINC001205924418 1370913345 /nfs/dbraw/zinc/91/33/45/1370913345.db2.gz SPCLHBNCCLSRON-LPHOPBHVSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(F)cc2Br)CCC[C@@H]1C[NH3+] ZINC001205994390 1370932936 /nfs/dbraw/zinc/93/29/36/1370932936.db2.gz LJVJNRRDEQDOKV-NWDGAFQWSA-N 2 1 329.257 3.395 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205995848 1370932996 /nfs/dbraw/zinc/93/29/96/1370932996.db2.gz RCKKAOGDMZRWAC-MAUKXSAKSA-N 2 1 326.488 3.296 20 0 EGADMP CCOC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206003830 1370935733 /nfs/dbraw/zinc/93/57/33/1370935733.db2.gz MXXPKMMYPRSATM-CABCVRRESA-N 2 1 343.471 3.151 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)CC1 ZINC001206024214 1370941193 /nfs/dbraw/zinc/94/11/93/1370941193.db2.gz YALKBVDNSDSTHW-OAQYLSRUSA-N 2 1 330.516 3.036 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(O)c(OC(F)(F)F)c2)CCC[C@@H]1C[NH3+] ZINC001206026555 1370942230 /nfs/dbraw/zinc/94/22/30/1370942230.db2.gz SVAJFAIIGYQDKS-DGCLKSJQSA-N 2 1 332.366 3.098 20 0 EGADMP [NH3+][C@H]1CC[N@H+](CCCc2ccccc2Br)CC[C@@H]1F ZINC001206157490 1370974338 /nfs/dbraw/zinc/97/43/38/1370974338.db2.gz YZZHLOHZCOERCW-GJZGRUSLSA-N 2 1 329.257 3.143 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](CCCc2ccccc2Br)CC[C@@H]1F ZINC001206157490 1370974340 /nfs/dbraw/zinc/97/43/40/1370974340.db2.gz YZZHLOHZCOERCW-GJZGRUSLSA-N 2 1 329.257 3.143 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(O)c(OCc3ccccc3)c2)CC[C@H]1F ZINC001206209037 1370993185 /nfs/dbraw/zinc/99/31/85/1370993185.db2.gz AGBASJIWODVRFH-QZTJIDSGSA-N 2 1 344.430 3.232 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(O)c(OCc3ccccc3)c2)CC[C@H]1F ZINC001206209037 1370993187 /nfs/dbraw/zinc/99/31/87/1370993187.db2.gz AGBASJIWODVRFH-QZTJIDSGSA-N 2 1 344.430 3.232 20 0 EGADMP COc1cc(OC)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c2ccccc12 ZINC001206210515 1370994052 /nfs/dbraw/zinc/99/40/52/1370994052.db2.gz KNXBJOYUBPYEOJ-SJORKVTESA-N 2 1 332.419 3.118 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC001117112675 1371011851 /nfs/dbraw/zinc/01/18/51/1371011851.db2.gz NWNOZLOOBRNIJR-DOTOQJQBSA-N 2 1 334.504 3.265 20 0 EGADMP C[C@H]1C[NH2+]CC[N@H+](Cc2cccc3cc(Br)cnc32)C1 ZINC001206284894 1371012198 /nfs/dbraw/zinc/01/21/98/1371012198.db2.gz ITPZXTBOWHBLIF-LBPRGKRZSA-N 2 1 334.261 3.039 20 0 EGADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2cccc3cc(Br)cnc32)C1 ZINC001206284894 1371012201 /nfs/dbraw/zinc/01/22/01/1371012201.db2.gz ITPZXTBOWHBLIF-LBPRGKRZSA-N 2 1 334.261 3.039 20 0 EGADMP Cc1nc(Cl)c(CC[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(Cl)n1 ZINC001206296518 1371013749 /nfs/dbraw/zinc/01/37/49/1371013749.db2.gz TXGAPRZMACXUMK-OAHLLOKOSA-N 2 1 331.291 3.085 20 0 EGADMP Cn1c2ccccc2c(Cl)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1=O ZINC001206317245 1371020030 /nfs/dbraw/zinc/02/00/30/1371020030.db2.gz DMFRYVPINOHOIS-LJQANCHMSA-N 2 1 347.890 3.143 20 0 EGADMP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206549228 1371089911 /nfs/dbraw/zinc/08/99/11/1371089911.db2.gz WJGLZVXOFWRLBW-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)[C@H]1CCC[NH2+]CC1 ZINC001206592273 1371102436 /nfs/dbraw/zinc/10/24/36/1371102436.db2.gz ZZRKKWKCFDLDED-SFHVURJKSA-N 2 1 330.451 3.364 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001206633377 1371114122 /nfs/dbraw/zinc/11/41/22/1371114122.db2.gz XAYMRAATSZGGAJ-ZDUSSCGKSA-N 2 1 334.357 3.484 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1OC(F)(F)F ZINC001206633030 1371114539 /nfs/dbraw/zinc/11/45/39/1371114539.db2.gz RLSOLTPSPVNRAH-CYBMUJFWSA-N 2 1 332.366 3.155 20 0 EGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CCCc1ccccc1Br ZINC001206760897 1371155627 /nfs/dbraw/zinc/15/56/27/1371155627.db2.gz NKDDDONWNSKKAE-KGLIPLIRSA-N 2 1 325.294 3.441 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCCc1ccccc1Br ZINC001206760896 1371156089 /nfs/dbraw/zinc/15/60/89/1371156089.db2.gz NKDDDONWNSKKAE-KBPBESRZSA-N 2 1 325.294 3.441 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001206779538 1371163082 /nfs/dbraw/zinc/16/30/82/1371163082.db2.gz IXUHFJZPJUDZEV-INIZCTEOSA-N 2 1 349.494 3.057 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001206794707 1371169242 /nfs/dbraw/zinc/16/92/42/1371169242.db2.gz PYXKSHODUFNIBP-SFHVURJKSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001206890599 1371209383 /nfs/dbraw/zinc/20/93/83/1371209383.db2.gz ZBOVPGLCBXGAHZ-UHFFFAOYSA-N 2 1 349.563 3.127 20 0 EGADMP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953299 1371243520 /nfs/dbraw/zinc/24/35/20/1371243520.db2.gz AJYLPAGRFMMFNE-YLJYHZDGSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001206955284 1371244642 /nfs/dbraw/zinc/24/46/42/1371244642.db2.gz PEEJMAAHQZWCHC-KURKYZTESA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001206955284 1371244647 /nfs/dbraw/zinc/24/46/47/1371244647.db2.gz PEEJMAAHQZWCHC-KURKYZTESA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001206955284 1371244648 /nfs/dbraw/zinc/24/46/48/1371244648.db2.gz PEEJMAAHQZWCHC-KURKYZTESA-N 2 1 337.552 3.122 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCc2ncnc(-c3ccsc3)c2CC1 ZINC001207280757 1371348150 /nfs/dbraw/zinc/34/81/50/1371348150.db2.gz VGQJOXJTWVAYFF-UHFFFAOYSA-N 2 1 344.528 3.194 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCc2ncnc(-c3ccsc3)c2CC1 ZINC001207280757 1371348154 /nfs/dbraw/zinc/34/81/54/1371348154.db2.gz VGQJOXJTWVAYFF-UHFFFAOYSA-N 2 1 344.528 3.194 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207283594 1371350500 /nfs/dbraw/zinc/35/05/00/1371350500.db2.gz AUVKKVPGPFVXJV-NHCUHLMSSA-N 3 1 343.559 3.418 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207283594 1371350505 /nfs/dbraw/zinc/35/05/05/1371350505.db2.gz AUVKKVPGPFVXJV-NHCUHLMSSA-N 3 1 343.559 3.418 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207283594 1371350508 /nfs/dbraw/zinc/35/05/08/1371350508.db2.gz AUVKKVPGPFVXJV-NHCUHLMSSA-N 3 1 343.559 3.418 20 0 EGADMP CN(C)CC(C)(C)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207283594 1371350514 /nfs/dbraw/zinc/35/05/14/1371350514.db2.gz AUVKKVPGPFVXJV-NHCUHLMSSA-N 2 1 343.559 3.418 20 0 EGADMP CN(C)CC(C)(C)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207283594 1371350519 /nfs/dbraw/zinc/35/05/19/1371350519.db2.gz AUVKKVPGPFVXJV-NHCUHLMSSA-N 2 1 343.559 3.418 20 0 EGADMP CN(C)CC(C)(C)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207283594 1371350521 /nfs/dbraw/zinc/35/05/21/1371350521.db2.gz AUVKKVPGPFVXJV-NHCUHLMSSA-N 2 1 343.559 3.418 20 0 EGADMP CN(C)CC(C)(C)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207283594 1371350527 /nfs/dbraw/zinc/35/05/27/1371350527.db2.gz AUVKKVPGPFVXJV-NHCUHLMSSA-N 2 1 343.559 3.418 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC[C@]1(C)O ZINC001207288047 1371351537 /nfs/dbraw/zinc/35/15/37/1371351537.db2.gz ZLLHNCYFYYKALW-NQIIRXRSSA-N 2 1 330.516 3.382 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207291344 1371352743 /nfs/dbraw/zinc/35/27/43/1371352743.db2.gz NYHFNVXWONIWDX-UHFFFAOYSA-N 3 1 329.532 3.316 20 0 EGADMP C[N@H+](CCCN1CCCC1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207291344 1371352746 /nfs/dbraw/zinc/35/27/46/1371352746.db2.gz NYHFNVXWONIWDX-UHFFFAOYSA-N 2 1 329.532 3.316 20 0 EGADMP C[N@@H+](CCCN1CCCC1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207291344 1371352749 /nfs/dbraw/zinc/35/27/49/1371352749.db2.gz NYHFNVXWONIWDX-UHFFFAOYSA-N 2 1 329.532 3.316 20 0 EGADMP COC(=O)[C@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC001207292338 1371353145 /nfs/dbraw/zinc/35/31/45/1371353145.db2.gz OIPIWXIWFHXKEW-PXNSSMCTSA-N 2 1 344.499 3.172 20 0 EGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CC1CCC(F)(F)CC1)C2 ZINC001207347778 1371368029 /nfs/dbraw/zinc/36/80/29/1371368029.db2.gz UIZKHDBDZNZGSN-UHFFFAOYSA-N 2 1 340.462 3.364 20 0 EGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CC1CCC(F)(F)CC1)C2 ZINC001207347778 1371368032 /nfs/dbraw/zinc/36/80/32/1371368032.db2.gz UIZKHDBDZNZGSN-UHFFFAOYSA-N 2 1 340.462 3.364 20 0 EGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CC1CCC(F)(F)CC1)C2 ZINC001207347778 1371368037 /nfs/dbraw/zinc/36/80/37/1371368037.db2.gz UIZKHDBDZNZGSN-UHFFFAOYSA-N 2 1 340.462 3.364 20 0 EGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CC1CCC(F)(F)CC1)C2 ZINC001207347778 1371368038 /nfs/dbraw/zinc/36/80/38/1371368038.db2.gz UIZKHDBDZNZGSN-UHFFFAOYSA-N 2 1 340.462 3.364 20 0 EGADMP C[NH+]1CCC(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CC1 ZINC001207396961 1371383748 /nfs/dbraw/zinc/38/37/48/1371383748.db2.gz ZCNFQFQOULZJGT-UHFFFAOYSA-N 3 1 347.572 3.378 20 0 EGADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207399161 1371384464 /nfs/dbraw/zinc/38/44/64/1371384464.db2.gz FEEMZAPDJGIJAT-UHFFFAOYSA-N 3 1 333.495 3.064 20 0 EGADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207399161 1371384468 /nfs/dbraw/zinc/38/44/68/1371384468.db2.gz FEEMZAPDJGIJAT-UHFFFAOYSA-N 3 1 333.495 3.064 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001207399870 1371384776 /nfs/dbraw/zinc/38/47/76/1371384776.db2.gz XUPKRENCHYDNIS-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001207440912 1371396972 /nfs/dbraw/zinc/39/69/72/1371396972.db2.gz LYIWPAASLMOBIN-IBGZPJMESA-N 2 1 332.488 3.076 20 0 EGADMP CCC[N@@H+](CC1CC[NH2+]CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207441062 1371397022 /nfs/dbraw/zinc/39/70/22/1371397022.db2.gz PRYJYOSGXQEFHJ-UHFFFAOYSA-N 2 1 339.524 3.098 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001207487193 1371410776 /nfs/dbraw/zinc/41/07/76/1371410776.db2.gz RVSIZBJEZVQXMD-NRFANRHFSA-N 2 1 329.532 3.315 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001207487640 1371411021 /nfs/dbraw/zinc/41/10/21/1371411021.db2.gz PFSVOMBVACIETN-VXKWHMMOSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(CC[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001207487640 1371411024 /nfs/dbraw/zinc/41/10/24/1371411024.db2.gz PFSVOMBVACIETN-VXKWHMMOSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(CC[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001207487640 1371411027 /nfs/dbraw/zinc/41/10/27/1371411027.db2.gz PFSVOMBVACIETN-VXKWHMMOSA-N 2 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(CCN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001207487640 1371411033 /nfs/dbraw/zinc/41/10/33/1371411033.db2.gz PFSVOMBVACIETN-VXKWHMMOSA-N 2 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(CCN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001207487640 1371411037 /nfs/dbraw/zinc/41/10/37/1371411037.db2.gz PFSVOMBVACIETN-VXKWHMMOSA-N 2 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](CCc3ccccc3Br)C2)CC1 ZINC001207530692 1371426405 /nfs/dbraw/zinc/42/64/05/1371426405.db2.gz NHIKETRUBXITMI-UHFFFAOYSA-N 2 1 337.305 3.409 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540729 1371430089 /nfs/dbraw/zinc/43/00/89/1371430089.db2.gz BQOIUXLCRFGMFS-VRVMHYDOSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001207540729 1371430092 /nfs/dbraw/zinc/43/00/92/1371430092.db2.gz BQOIUXLCRFGMFS-VRVMHYDOSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001207540729 1371430095 /nfs/dbraw/zinc/43/00/95/1371430095.db2.gz BQOIUXLCRFGMFS-VRVMHYDOSA-N 2 1 347.547 3.186 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2cccc(F)c2)CCCCC1 ZINC001120046200 1371468096 /nfs/dbraw/zinc/46/80/96/1371468096.db2.gz QOYWVPDBRSHWGR-UHFFFAOYSA-N 2 1 349.494 3.076 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)nc3)C[C@H]2C1 ZINC001120071143 1371477584 /nfs/dbraw/zinc/47/75/84/1371477584.db2.gz FZZJULHFFHWUSE-VAMGGRTRSA-N 2 1 336.483 3.306 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]CC3CCCCCC3)CCCCC2)C1 ZINC001120129586 1371491912 /nfs/dbraw/zinc/49/19/12/1371491912.db2.gz KCHMWPINGJTHEI-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]CCCC(C)(C)C)CCCCC1 ZINC001120141025 1371494312 /nfs/dbraw/zinc/49/43/12/1371494312.db2.gz QFDUBINCDAOLBA-UHFFFAOYSA-N 2 1 348.535 3.427 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001120140771 1371494437 /nfs/dbraw/zinc/49/44/37/1371494437.db2.gz LGKRDYHHFHLMIT-UHFFFAOYSA-N 2 1 346.519 3.181 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC(C)C)CCCCC1 ZINC001120208066 1371505536 /nfs/dbraw/zinc/50/55/36/1371505536.db2.gz SVRQVKGCFBZCRW-SFHVURJKSA-N 2 1 337.552 3.316 20 0 EGADMP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCCCC1 ZINC001120208422 1371505702 /nfs/dbraw/zinc/50/57/02/1371505702.db2.gz ZEJQBLOQZQMNEH-GOSISDBHSA-N 2 1 337.552 3.460 20 0 EGADMP C1=C2CCC[N@H+](C[C@@H]3CCCCO3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001207959512 1371550872 /nfs/dbraw/zinc/55/08/72/1371550872.db2.gz MUDRVCWDNGDSBU-QGLKVJOYSA-N 2 1 330.516 3.451 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@H]2CCC[NH+]2CC)C1 ZINC001120429807 1371573353 /nfs/dbraw/zinc/57/33/53/1371573353.db2.gz BLNNWQCELWWUIQ-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC)C1 ZINC001120429807 1371573357 /nfs/dbraw/zinc/57/33/57/1371573357.db2.gz BLNNWQCELWWUIQ-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC)C1 ZINC001120429807 1371573360 /nfs/dbraw/zinc/57/33/60/1371573360.db2.gz BLNNWQCELWWUIQ-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CC1(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCOCC1 ZINC001208078500 1371589689 /nfs/dbraw/zinc/58/96/89/1371589689.db2.gz NTMPDKZMRBRQLB-PMACEKPBSA-N 2 1 328.500 3.257 20 0 EGADMP CC1(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCOCC1 ZINC001208078500 1371589692 /nfs/dbraw/zinc/58/96/92/1371589692.db2.gz NTMPDKZMRBRQLB-PMACEKPBSA-N 2 1 328.500 3.257 20 0 EGADMP C[NH+](C)CCOCc1ncn2c1C[N@@H+](CCCC1CCCC1)CCC2 ZINC001208091263 1371594268 /nfs/dbraw/zinc/59/42/68/1371594268.db2.gz VBTGJQPIQHBQHG-UHFFFAOYSA-N 2 1 348.535 3.137 20 0 EGADMP COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)CC1(C)CC[NH+](C)CC1 ZINC001208110298 1371597978 /nfs/dbraw/zinc/59/79/78/1371597978.db2.gz YEDMKFDSRONHQX-QGZVFWFLSA-N 2 1 334.504 3.264 20 0 EGADMP CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208111431 1371598472 /nfs/dbraw/zinc/59/84/72/1371598472.db2.gz LHQQFECOWLQRMG-FQEVSTJZSA-N 2 1 329.532 3.315 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208164006 1371614297 /nfs/dbraw/zinc/61/42/97/1371614297.db2.gz NVYDINYUABRXED-JNVNVXKGSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001208189774 1371630091 /nfs/dbraw/zinc/63/00/91/1371630091.db2.gz BBEMKNNBJJHAOC-HILSMNSFSA-N 2 1 345.535 3.199 20 0 EGADMP CC/C=C\CCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001208189774 1371630094 /nfs/dbraw/zinc/63/00/94/1371630094.db2.gz BBEMKNNBJJHAOC-HILSMNSFSA-N 2 1 345.535 3.199 20 0 EGADMP CC/C=C\CCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001208189774 1371630097 /nfs/dbraw/zinc/63/00/97/1371630097.db2.gz BBEMKNNBJJHAOC-HILSMNSFSA-N 2 1 345.535 3.199 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+](CC3(c4ccccc4)CCOCC3)C[C@@H]2C1 ZINC001208233414 1371671699 /nfs/dbraw/zinc/67/16/99/1371671699.db2.gz GVTORGZSYIUOSI-KDURUIRLSA-N 2 1 328.500 3.008 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@@H+](CC3(c4ccccc4)CCOCC3)C[C@@H]2C1 ZINC001208233414 1371671701 /nfs/dbraw/zinc/67/17/01/1371671701.db2.gz GVTORGZSYIUOSI-KDURUIRLSA-N 2 1 328.500 3.008 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@H+](CC3(c4ccccc4)CCOCC3)C[C@@H]2C1 ZINC001208233414 1371671703 /nfs/dbraw/zinc/67/17/03/1371671703.db2.gz GVTORGZSYIUOSI-KDURUIRLSA-N 2 1 328.500 3.008 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001208330648 1371720655 /nfs/dbraw/zinc/72/06/55/1371720655.db2.gz BNSVPZPKMUFSKQ-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001208334754 1371722528 /nfs/dbraw/zinc/72/25/28/1371722528.db2.gz MBPQYGPNMGIMQJ-IRXDYDNUSA-N 2 1 346.519 3.167 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001208423086 1371762568 /nfs/dbraw/zinc/76/25/68/1371762568.db2.gz DWBYVSOAOVBZIZ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001208446925 1371768604 /nfs/dbraw/zinc/76/86/04/1371768604.db2.gz DDXOWLAUVMUQKN-QAPCUYQASA-N 2 1 349.494 3.198 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001208453351 1371771890 /nfs/dbraw/zinc/77/18/90/1371771890.db2.gz FJXLTAAKAUBLTE-RKWFYDHTSA-N 2 1 343.515 3.011 20 0 EGADMP CCc1cccc(C[NH2+][C@@H]2CCCN(C(=O)C(C)(C)[N@H+](C)CC)C2)c1 ZINC001208454514 1371773112 /nfs/dbraw/zinc/77/31/12/1371773112.db2.gz WXDHTNGXRAPOBL-LJQANCHMSA-N 2 1 345.531 3.060 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C)[NH+](CC)CC ZINC001208575319 1371823430 /nfs/dbraw/zinc/82/34/30/1371823430.db2.gz NCZBVCODMNNXDM-BHIYHBOVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C)[NH+](CC)CC ZINC001208575558 1371824537 /nfs/dbraw/zinc/82/45/37/1371824537.db2.gz QJHXBSMNRCEVNZ-QRQLOZEOSA-N 2 1 337.552 3.124 20 0 EGADMP CCN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001208588400 1371830456 /nfs/dbraw/zinc/83/04/56/1371830456.db2.gz HSCNJQLBINBRTA-OAQYLSRUSA-N 2 1 329.532 3.457 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(C[C@H]3CCCC[NH+]3Cc3ccccc3)C[C@H]21 ZINC001208591634 1371831154 /nfs/dbraw/zinc/83/11/54/1371831154.db2.gz MNNWJKHMNUZNOQ-NJDAHSKKSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1CCC[C@@H]2CN(C[C@H]3CCCC[N@@H+]3Cc3ccccc3)C[C@H]21 ZINC001208591634 1371831158 /nfs/dbraw/zinc/83/11/58/1371831158.db2.gz MNNWJKHMNUZNOQ-NJDAHSKKSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1CCC[C@@H]2CN(C[C@H]3CCCC[N@H+]3Cc3ccccc3)C[C@H]21 ZINC001208591634 1371831160 /nfs/dbraw/zinc/83/11/60/1371831160.db2.gz MNNWJKHMNUZNOQ-NJDAHSKKSA-N 2 1 327.516 3.067 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN2CCC([NH+]3CCC3)CC2)cc1 ZINC001208593288 1371832671 /nfs/dbraw/zinc/83/26/71/1371832671.db2.gz GGUQFSJGDHUOHF-NRFANRHFSA-N 2 1 327.516 3.211 20 0 EGADMP CC[N@@H+](CC1CC[NH+](CC)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001208598634 1371834594 /nfs/dbraw/zinc/83/45/94/1371834594.db2.gz VHCKEVKGNXPCDQ-OAQYLSRUSA-N 2 1 329.532 3.315 20 0 EGADMP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121103064 1371854773 /nfs/dbraw/zinc/85/47/73/1371854773.db2.gz QKDUAOKJVISZDE-FCOWATRHSA-N 2 1 349.563 3.312 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1CC2(C1)CC([NH2+]CC(C)C)C2 ZINC001121133597 1371862885 /nfs/dbraw/zinc/86/28/85/1371862885.db2.gz DSBNNITWQYOYLF-UEBDJUODSA-N 2 1 346.519 3.070 20 0 EGADMP COC(=O)[C@H](C)C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001208724787 1371874612 /nfs/dbraw/zinc/87/46/12/1371874612.db2.gz GXGGFBKLBGHQRI-GOSISDBHSA-N 2 1 344.499 3.174 20 0 EGADMP CC[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208759185 1371885746 /nfs/dbraw/zinc/88/57/46/1371885746.db2.gz RONAJHQWPRYCCU-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP COc1ccc(CC[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1OC ZINC001208759418 1371886910 /nfs/dbraw/zinc/88/69/10/1371886910.db2.gz WFUUUDHYJLMDNJ-UHFFFAOYSA-N 2 1 332.488 3.197 20 0 EGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCCc1ccc(F)cc1)C2 ZINC001208766979 1371889291 /nfs/dbraw/zinc/88/92/91/1371889291.db2.gz JEHWWOPXXDNWGW-UHFFFAOYSA-N 2 1 344.478 3.311 20 0 EGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCCc1ccc(F)cc1)C2 ZINC001208766979 1371889298 /nfs/dbraw/zinc/88/92/98/1371889298.db2.gz JEHWWOPXXDNWGW-UHFFFAOYSA-N 2 1 344.478 3.311 20 0 EGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCCc1ccc(F)cc1)C2 ZINC001208766979 1371889302 /nfs/dbraw/zinc/88/93/02/1371889302.db2.gz JEHWWOPXXDNWGW-UHFFFAOYSA-N 2 1 344.478 3.311 20 0 EGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCCc1ccc(F)cc1)C2 ZINC001208766979 1371889306 /nfs/dbraw/zinc/88/93/06/1371889306.db2.gz JEHWWOPXXDNWGW-UHFFFAOYSA-N 2 1 344.478 3.311 20 0 EGADMP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001121232877 1371901889 /nfs/dbraw/zinc/90/18/89/1371901889.db2.gz JRLMHJVTDBOYQE-GGQJKKPXSA-N 2 1 349.563 3.027 20 0 EGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](CCCc1ccccc1Cl)CC2 ZINC001208871670 1371927588 /nfs/dbraw/zinc/92/75/88/1371927588.db2.gz HDRGFUNZUYDLOJ-UHFFFAOYSA-N 2 1 335.879 3.403 20 0 EGADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CC3(C)CCCCC3)CC2)C1 ZINC001208902054 1371938712 /nfs/dbraw/zinc/93/87/12/1371938712.db2.gz GHVGILMIYQVUMM-KRWDZBQOSA-N 2 1 336.520 3.306 20 0 EGADMP CC(C)C[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001121340967 1371942491 /nfs/dbraw/zinc/94/24/91/1371942491.db2.gz QDHKWLNBZLUREZ-UHFFFAOYSA-N 2 1 349.563 3.312 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208932399 1371950570 /nfs/dbraw/zinc/95/05/70/1371950570.db2.gz PQJKBMIGYBUZEU-YZGWKJHDSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208932399 1371950575 /nfs/dbraw/zinc/95/05/75/1371950575.db2.gz PQJKBMIGYBUZEU-YZGWKJHDSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H](C)[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208932399 1371950579 /nfs/dbraw/zinc/95/05/79/1371950579.db2.gz PQJKBMIGYBUZEU-YZGWKJHDSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H](C)[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208932399 1371950582 /nfs/dbraw/zinc/95/05/82/1371950582.db2.gz PQJKBMIGYBUZEU-YZGWKJHDSA-N 2 1 344.499 3.172 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCC[C@]1(C)O ZINC001208931277 1371950925 /nfs/dbraw/zinc/95/09/25/1371950925.db2.gz IUXJIMBDMIUKON-GIVPXCGWSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[C@]1(C)O ZINC001208931277 1371950926 /nfs/dbraw/zinc/95/09/26/1371950926.db2.gz IUXJIMBDMIUKON-GIVPXCGWSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[C@]1(C)O ZINC001208931277 1371950927 /nfs/dbraw/zinc/95/09/27/1371950927.db2.gz IUXJIMBDMIUKON-GIVPXCGWSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@]1(CO)CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208933026 1371951516 /nfs/dbraw/zinc/95/15/16/1371951516.db2.gz SRXUHLXMOVCKGO-SFTDATJTSA-N 2 1 330.516 3.383 20 0 EGADMP C[C@]1(CO)CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208933026 1371951521 /nfs/dbraw/zinc/95/15/21/1371951521.db2.gz SRXUHLXMOVCKGO-SFTDATJTSA-N 2 1 330.516 3.383 20 0 EGADMP C[C@]1(CO)CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208933026 1371951525 /nfs/dbraw/zinc/95/15/25/1371951525.db2.gz SRXUHLXMOVCKGO-SFTDATJTSA-N 2 1 330.516 3.383 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](CN3CC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC001208948224 1371959412 /nfs/dbraw/zinc/95/94/12/1371959412.db2.gz FRNMWZHTXYZJES-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP CCCCC[NH+]1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208948796 1371959768 /nfs/dbraw/zinc/95/97/68/1371959768.db2.gz ILENQNAUAWITNM-NRFANRHFSA-N 2 1 329.532 3.316 20 0 EGADMP Cc1nc(C2CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)no1 ZINC001208948761 1371960281 /nfs/dbraw/zinc/96/02/81/1371960281.db2.gz ICTYYTWDGAJQQL-GOSISDBHSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nc(C2CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)no1 ZINC001208948761 1371960285 /nfs/dbraw/zinc/96/02/85/1371960285.db2.gz ICTYYTWDGAJQQL-GOSISDBHSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nc(C2CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)no1 ZINC001208948762 1371960516 /nfs/dbraw/zinc/96/05/16/1371960516.db2.gz ICTYYTWDGAJQQL-SFHVURJKSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nc(C2CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)no1 ZINC001208948762 1371960518 /nfs/dbraw/zinc/96/05/18/1371960518.db2.gz ICTYYTWDGAJQQL-SFHVURJKSA-N 2 1 340.471 3.080 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142884 1372013449 /nfs/dbraw/zinc/01/34/49/1372013449.db2.gz WWXUEVHOABWUJG-QSMUSEHHSA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209142884 1372013450 /nfs/dbraw/zinc/01/34/50/1372013450.db2.gz WWXUEVHOABWUJG-QSMUSEHHSA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209142884 1372013455 /nfs/dbraw/zinc/01/34/55/1372013455.db2.gz WWXUEVHOABWUJG-QSMUSEHHSA-N 2 1 349.563 3.432 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](CCCc4cccnc4)C[C@@H]3C2)cc1 ZINC001209185013 1372029740 /nfs/dbraw/zinc/02/97/40/1372029740.db2.gz MNPNPPJUZNDXRV-FCHUYYIVSA-N 2 1 335.495 3.468 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCCc4cccnc4)C[C@@H]3C2)cc1 ZINC001209185013 1372029744 /nfs/dbraw/zinc/02/97/44/1372029744.db2.gz MNPNPPJUZNDXRV-FCHUYYIVSA-N 2 1 335.495 3.468 20 0 EGADMP COCCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209218707 1372041457 /nfs/dbraw/zinc/04/14/57/1372041457.db2.gz XHGXRJSCEJKIMV-DFQSSKMNSA-N 2 1 331.504 3.041 20 0 EGADMP COCCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209218707 1372041461 /nfs/dbraw/zinc/04/14/61/1372041461.db2.gz XHGXRJSCEJKIMV-DFQSSKMNSA-N 2 1 331.504 3.041 20 0 EGADMP COCCCC[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209218707 1372041465 /nfs/dbraw/zinc/04/14/65/1372041465.db2.gz XHGXRJSCEJKIMV-DFQSSKMNSA-N 2 1 331.504 3.041 20 0 EGADMP COCCCC[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209218707 1372041471 /nfs/dbraw/zinc/04/14/71/1372041471.db2.gz XHGXRJSCEJKIMV-DFQSSKMNSA-N 2 1 331.504 3.041 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001121772447 1372076321 /nfs/dbraw/zinc/07/63/21/1372076321.db2.gz AKILOONORUQCJJ-OZSJIWHNSA-N 2 1 347.547 3.092 20 0 EGADMP CCCCCC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001121791132 1372082084 /nfs/dbraw/zinc/08/20/84/1372082084.db2.gz ICGXAHSIRRMLIA-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP COC[C@@H](C)[N@H+](CCC[NH+]1CCCCC1)Cc1cccc(OC)c1 ZINC001209449807 1372109708 /nfs/dbraw/zinc/10/97/08/1372109708.db2.gz ACSWSEQGEHKWOS-GOSISDBHSA-N 2 1 334.504 3.408 20 0 EGADMP COC[C@@H](C)[N@@H+](CCC[NH+]1CCCCC1)Cc1cccc(OC)c1 ZINC001209449807 1372109713 /nfs/dbraw/zinc/10/97/13/1372109713.db2.gz ACSWSEQGEHKWOS-GOSISDBHSA-N 2 1 334.504 3.408 20 0 EGADMP CC[C@@H](C[N@@H+](C(C)C)C1CCN(C)CC1)NC(=O)OC(C)(C)C ZINC001209471775 1372114913 /nfs/dbraw/zinc/11/49/13/1372114913.db2.gz DADBVOOCIJNWPB-HNNXBMFYSA-N 2 1 327.513 3.094 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1C ZINC001209565953 1372138421 /nfs/dbraw/zinc/13/84/21/1372138421.db2.gz JQMZSZBPOQYBTG-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001209565953 1372138423 /nfs/dbraw/zinc/13/84/23/1372138423.db2.gz JQMZSZBPOQYBTG-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001209565953 1372138424 /nfs/dbraw/zinc/13/84/24/1372138424.db2.gz JQMZSZBPOQYBTG-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001209585856 1372143789 /nfs/dbraw/zinc/14/37/89/1372143789.db2.gz RLJGCVLYKRNCFN-BHIYHBOVSA-N 2 1 339.568 3.226 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001209585166 1372143815 /nfs/dbraw/zinc/14/38/15/1372143815.db2.gz HEYRNNKSZTZOGG-QHDCNBPGSA-N 2 1 337.552 3.146 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)CC)C2)C1 ZINC001122022816 1372155335 /nfs/dbraw/zinc/15/53/35/1372155335.db2.gz JXZCNPQGBHNKKX-BQYQJAHWSA-N 2 1 335.536 3.092 20 0 EGADMP Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)cc1 ZINC001209660126 1372164523 /nfs/dbraw/zinc/16/45/23/1372164523.db2.gz MFMVXIWUCZMSFY-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(Cc3cnccn3)C[C@@H]21 ZINC001209780771 1372195371 /nfs/dbraw/zinc/19/53/71/1372195371.db2.gz DLRPNNNQXPWPQN-AYOQOUSVSA-N 2 1 342.512 3.271 20 0 EGADMP CC(C)CC[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209932483 1372234822 /nfs/dbraw/zinc/23/48/22/1372234822.db2.gz RPEXCXQFYMDCEP-KRWDZBQOSA-N 2 1 334.508 3.023 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001210132896 1372277383 /nfs/dbraw/zinc/27/73/83/1372277383.db2.gz JUCAKTLFPYBJHH-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001210133976 1372278174 /nfs/dbraw/zinc/27/81/74/1372278174.db2.gz VIOZZYKXTNWXPP-SFHVURJKSA-N 2 1 348.535 3.379 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001210179537 1372289230 /nfs/dbraw/zinc/28/92/30/1372289230.db2.gz PIQGSBJEOXJRHP-QRVBRYPASA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210179537 1372289235 /nfs/dbraw/zinc/28/92/35/1372289235.db2.gz PIQGSBJEOXJRHP-QRVBRYPASA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001210179537 1372289241 /nfs/dbraw/zinc/28/92/41/1372289241.db2.gz PIQGSBJEOXJRHP-QRVBRYPASA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001210796748 1372428006 /nfs/dbraw/zinc/42/80/06/1372428006.db2.gz JIPVYKPSGJHUEB-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001210797874 1372428530 /nfs/dbraw/zinc/42/85/30/1372428530.db2.gz XOAAINXHNDZDQV-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCN1CC[NH+](Cc2ccc(Nc3cccc(C[NH2+]C)c3)cc2)CC1 ZINC001211137478 1372489382 /nfs/dbraw/zinc/48/93/82/1372489382.db2.gz ZDFUAWPNTFOUOK-UHFFFAOYSA-N 2 1 338.499 3.287 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001211256512 1372513454 /nfs/dbraw/zinc/51/34/54/1372513454.db2.gz HXQHTUUSRXWNHN-KAGICYHLSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211269986 1372517512 /nfs/dbraw/zinc/51/75/12/1372517512.db2.gz WWTDVRGWZUZUEG-VQTJNVASSA-N 2 1 345.531 3.306 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211343748 1372536658 /nfs/dbraw/zinc/53/66/58/1372536658.db2.gz KDAUXRHCLSXINB-ASIGSXEYSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C)[NH+]1CCCCC1 ZINC001211367335 1372541651 /nfs/dbraw/zinc/54/16/51/1372541651.db2.gz QJUIZLRBQRSSQH-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374594 1372543396 /nfs/dbraw/zinc/54/33/96/1372543396.db2.gz JVFDVZFGTXCJKE-DYHLCXIJSA-N 2 1 343.515 3.082 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374594 1372543400 /nfs/dbraw/zinc/54/34/00/1372543400.db2.gz JVFDVZFGTXCJKE-DYHLCXIJSA-N 2 1 343.515 3.082 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444392 1372560112 /nfs/dbraw/zinc/56/01/12/1372560112.db2.gz XYOLPBJKGLAKHC-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC(=O)c1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c(F)c1 ZINC001212145238 1372664199 /nfs/dbraw/zinc/66/41/99/1372664199.db2.gz PJFIQQPQWZLTHH-INIZCTEOSA-N 2 1 348.422 3.246 20 0 EGADMP O=C(Nc1ccc(-n2ccnc2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001124773512 1372729827 /nfs/dbraw/zinc/72/98/27/1372729827.db2.gz ZMUWQITXBYCQIV-GOSISDBHSA-N 2 1 346.434 3.333 20 0 EGADMP Cc1[nH+]ccn1Cc1ccc(Nc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC001212993804 1372814944 /nfs/dbraw/zinc/81/49/44/1372814944.db2.gz LUWRKLZJHVEDKI-UHFFFAOYSA-N 2 1 349.438 3.215 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001214780086 1373117768 /nfs/dbraw/zinc/11/77/68/1373117768.db2.gz KAJBUZMESHAEBS-KZNAEPCWSA-N 2 1 337.552 3.124 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001127678942 1373159158 /nfs/dbraw/zinc/15/91/58/1373159158.db2.gz GKPKVUHRPYXIKF-SJORKVTESA-N 2 1 342.487 3.172 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001215774366 1373236230 /nfs/dbraw/zinc/23/62/30/1373236230.db2.gz NETJNQJBYMDPFV-IWOQZAADSA-N 2 1 335.536 3.042 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)C)C1 ZINC001216323544 1373300407 /nfs/dbraw/zinc/30/04/07/1373300407.db2.gz GLEFUABPZIBEDX-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129429913 1373382965 /nfs/dbraw/zinc/38/29/65/1373382965.db2.gz MQAMNWWFBXJFIW-PXNSSMCTSA-N 2 1 343.515 3.169 20 0 EGADMP O=C(NCC[NH2+]CCC1CCCCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129428932 1373382994 /nfs/dbraw/zinc/38/29/94/1373382994.db2.gz BJXAZRKPZAEAIO-HXUWFJFHSA-N 2 1 349.563 3.460 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)cc1 ZINC001130187420 1373471375 /nfs/dbraw/zinc/47/13/75/1373471375.db2.gz UVFUGHBYDIZWKC-PMACEKPBSA-N 2 1 343.515 3.033 20 0 EGADMP C[C@@H]1CC[C@H](c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)[NH2+]C1 ZINC001217704237 1373491044 /nfs/dbraw/zinc/49/10/44/1373491044.db2.gz ZENZOLYHVLLXQQ-HYVNUMGLSA-N 2 1 326.444 3.120 20 0 EGADMP C[C@@H]1CC[C@H](c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)[NH2+]C1 ZINC001217704237 1373491046 /nfs/dbraw/zinc/49/10/46/1373491046.db2.gz ZENZOLYHVLLXQQ-HYVNUMGLSA-N 2 1 326.444 3.120 20 0 EGADMP CC(C)C[C@@H](C[NH3+])c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217730455 1373496261 /nfs/dbraw/zinc/49/62/61/1373496261.db2.gz NMMJNOVMKNXMKE-SJORKVTESA-N 2 1 328.460 3.148 20 0 EGADMP C[C@@H]1C[NH2+]CC[C@@H]1OC[C@]1(C)C[N@@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217917314 1373511930 /nfs/dbraw/zinc/51/19/30/1373511930.db2.gz VUVZGZPIGDAGOA-LMNJBCLMSA-N 2 1 346.515 3.071 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001188246347 1388275073 /nfs/dbraw/zinc/27/50/73/1388275073.db2.gz JEIJEODEHGOXNW-GBESFXJTSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001188246347 1388275076 /nfs/dbraw/zinc/27/50/76/1388275076.db2.gz JEIJEODEHGOXNW-GBESFXJTSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001188246347 1388275081 /nfs/dbraw/zinc/27/50/81/1388275081.db2.gz JEIJEODEHGOXNW-GBESFXJTSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001221972654 1373810956 /nfs/dbraw/zinc/81/09/56/1373810956.db2.gz CRXWDCWCFFRMPQ-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001221972654 1373810959 /nfs/dbraw/zinc/81/09/59/1373810959.db2.gz CRXWDCWCFFRMPQ-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001221972654 1373810961 /nfs/dbraw/zinc/81/09/61/1373810961.db2.gz CRXWDCWCFFRMPQ-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1)Cc1ccccc1 ZINC001222092623 1373816715 /nfs/dbraw/zinc/81/67/15/1373816715.db2.gz UIBJDCJWFXNVQT-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1)Cc1ccccc1 ZINC001222092623 1373816727 /nfs/dbraw/zinc/81/67/27/1373816727.db2.gz UIBJDCJWFXNVQT-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP Clc1ccc(C[N@@H+]2CCOCC3(CC[NH2+]CC3)C2)cc1Cl ZINC001222400839 1373836899 /nfs/dbraw/zinc/83/68/99/1373836899.db2.gz JZYYSDLZFGNJPY-UHFFFAOYSA-N 2 1 329.271 3.195 20 0 EGADMP Clc1ccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)cc1Cl ZINC001222400839 1373836906 /nfs/dbraw/zinc/83/69/06/1373836906.db2.gz JZYYSDLZFGNJPY-UHFFFAOYSA-N 2 1 329.271 3.195 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCC3=CCCCC3)[C@H]2C1 ZINC001223846394 1375044727 /nfs/dbraw/zinc/04/47/27/1375044727.db2.gz HWOVNBYTLCHMJI-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CCC3=CCCCC3)[C@H]2C1 ZINC001223846394 1375044729 /nfs/dbraw/zinc/04/47/29/1375044729.db2.gz HWOVNBYTLCHMJI-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CCC3=CCCCC3)[C@H]2C1 ZINC001223846394 1375044732 /nfs/dbraw/zinc/04/47/32/1375044732.db2.gz HWOVNBYTLCHMJI-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC1CC[NH+](CC2CCC2)CC1 ZINC001224745514 1375073524 /nfs/dbraw/zinc/07/35/24/1375073524.db2.gz AMJFVWMVESLRCO-UHFFFAOYSA-N 2 1 346.519 3.025 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC[NH+](C[C@H](F)CC)CC1 ZINC001224883531 1375082489 /nfs/dbraw/zinc/08/24/89/1375082489.db2.gz DEYRNHGZMZBAKC-GOSISDBHSA-N 2 1 343.531 3.075 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001132041380 1375112844 /nfs/dbraw/zinc/11/28/44/1375112844.db2.gz CXNRIKTXCUSYHU-QZTJIDSGSA-N 2 1 337.552 3.410 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)CC[C@@H]2C)cs1 ZINC001132106190 1375151244 /nfs/dbraw/zinc/15/12/44/1375151244.db2.gz QXRHBOSYNZDJIQ-YOEHRIQHSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)CC[C@@H]2C)cs1 ZINC001132106190 1375151246 /nfs/dbraw/zinc/15/12/46/1375151246.db2.gz QXRHBOSYNZDJIQ-YOEHRIQHSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)CC[C@@H]2C)cs1 ZINC001132106190 1375151248 /nfs/dbraw/zinc/15/12/48/1375151248.db2.gz QXRHBOSYNZDJIQ-YOEHRIQHSA-N 2 1 349.544 3.010 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132157655 1375176427 /nfs/dbraw/zinc/17/64/27/1375176427.db2.gz RVXQZPOLATXALT-AEFFLSMTSA-N 2 1 342.487 3.497 20 0 EGADMP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001226268118 1375231162 /nfs/dbraw/zinc/23/11/62/1375231162.db2.gz YTJQYLYBRUKYFY-DFQSSKMNSA-N 2 1 349.563 3.458 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC=C(C)C ZINC001226324162 1375240239 /nfs/dbraw/zinc/24/02/39/1375240239.db2.gz YUSZULFTHZZYHO-RCCFBDPRSA-N 2 1 346.519 3.380 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001132265579 1375254420 /nfs/dbraw/zinc/25/44/20/1375254420.db2.gz PAZBNXXRWRRUTN-WAQVGJNASA-N 2 1 335.536 3.044 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)c1 ZINC001132264880 1375254657 /nfs/dbraw/zinc/25/46/57/1375254657.db2.gz DEUZGHVRRLOEKW-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132311472 1375290617 /nfs/dbraw/zinc/29/06/17/1375290617.db2.gz URFDLTMGOHZICM-AEFFLSMTSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132311472 1375290618 /nfs/dbraw/zinc/29/06/18/1375290618.db2.gz URFDLTMGOHZICM-AEFFLSMTSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132311472 1375290620 /nfs/dbraw/zinc/29/06/20/1375290620.db2.gz URFDLTMGOHZICM-AEFFLSMTSA-N 2 1 339.568 3.370 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001132376701 1375339128 /nfs/dbraw/zinc/33/91/28/1375339128.db2.gz PKYXJVAJESFQIA-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCc1ccccc1C[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132410835 1375360090 /nfs/dbraw/zinc/36/00/90/1375360090.db2.gz OWVIZDGYFZOTIH-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132410835 1375360096 /nfs/dbraw/zinc/36/00/96/1375360096.db2.gz OWVIZDGYFZOTIH-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132410835 1375360099 /nfs/dbraw/zinc/36/00/99/1375360099.db2.gz OWVIZDGYFZOTIH-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132432600 1375378364 /nfs/dbraw/zinc/37/83/64/1375378364.db2.gz FDLZSOUTMKIRLZ-QZTJIDSGSA-N 2 1 325.541 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CC1CC2(CCC2)C1 ZINC001132434511 1375378721 /nfs/dbraw/zinc/37/87/21/1375378721.db2.gz XYKVODRVQXKWOQ-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CC1=CCCCC1 ZINC001132517406 1375436339 /nfs/dbraw/zinc/43/63/39/1375436339.db2.gz CATLTMLDJKBTAV-AZUAARDMSA-N 2 1 347.547 3.332 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CCC1CCCC1 ZINC001132519189 1375436667 /nfs/dbraw/zinc/43/66/67/1375436667.db2.gz UWUWVEYWKKBQJV-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]2C)cc1C ZINC001132519330 1375436939 /nfs/dbraw/zinc/43/69/39/1375436939.db2.gz WUYFXSCYOWOZRT-QUCCMNQESA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)cc1C ZINC001132519330 1375436941 /nfs/dbraw/zinc/43/69/41/1375436941.db2.gz WUYFXSCYOWOZRT-QUCCMNQESA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)cc1C ZINC001132519330 1375436944 /nfs/dbraw/zinc/43/69/44/1375436944.db2.gz WUYFXSCYOWOZRT-QUCCMNQESA-N 2 1 345.531 3.113 20 0 EGADMP CCc1cccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]2C)c1 ZINC001132522464 1375439318 /nfs/dbraw/zinc/43/93/18/1375439318.db2.gz PEDIZGSCRNGPBQ-XLIONFOSSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]2C)c1 ZINC001132522464 1375439321 /nfs/dbraw/zinc/43/93/21/1375439321.db2.gz PEDIZGSCRNGPBQ-XLIONFOSSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]2C)c1 ZINC001132522464 1375439324 /nfs/dbraw/zinc/43/93/24/1375439324.db2.gz PEDIZGSCRNGPBQ-XLIONFOSSA-N 2 1 345.531 3.058 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548803 1375455856 /nfs/dbraw/zinc/45/58/56/1375455856.db2.gz JGSPYFHJPXCQMS-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C\CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001227791727 1375474901 /nfs/dbraw/zinc/47/49/01/1375474901.db2.gz GBUGHBGNVOTHTM-XQQSMPNESA-N 2 1 347.547 3.330 20 0 EGADMP CCCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133122720 1375787197 /nfs/dbraw/zinc/78/71/97/1375787197.db2.gz UQQGMDDYYAEYLO-MSOLQXFVSA-N 2 1 339.568 3.229 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)c(C)c1 ZINC001229525221 1375851766 /nfs/dbraw/zinc/85/17/66/1375851766.db2.gz YOZVBPUGISFNEP-WOJBJXKFSA-N 2 1 345.531 3.162 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133224821 1375852983 /nfs/dbraw/zinc/85/29/83/1375852983.db2.gz FCRZORNOVBHIEC-ICSRJNTNSA-N 2 1 349.563 3.293 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001229616878 1375864978 /nfs/dbraw/zinc/86/49/78/1375864978.db2.gz VJKGSVADYFAHDP-KRWDZBQOSA-N 2 1 348.535 3.235 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001133263416 1375879835 /nfs/dbraw/zinc/87/98/35/1375879835.db2.gz UZKCBQHGGAGWBQ-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001229877741 1375909662 /nfs/dbraw/zinc/90/96/62/1375909662.db2.gz ZJUBLGLUEPTXEQ-KFKAGJAMSA-N 2 1 349.494 3.246 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC001230274789 1375980865 /nfs/dbraw/zinc/98/08/65/1375980865.db2.gz LJYQFJFJAIYSFA-KZNAEPCWSA-N 2 1 341.515 3.018 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001230538553 1376062562 /nfs/dbraw/zinc/06/25/62/1376062562.db2.gz VVHXZJBLWTYKNG-UNQUKWGNSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001230538553 1376062569 /nfs/dbraw/zinc/06/25/69/1376062569.db2.gz VVHXZJBLWTYKNG-UNQUKWGNSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001230538553 1376062580 /nfs/dbraw/zinc/06/25/80/1376062580.db2.gz VVHXZJBLWTYKNG-UNQUKWGNSA-N 2 1 347.547 3.140 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230611080 1376101053 /nfs/dbraw/zinc/10/10/53/1376101053.db2.gz LOMRJDLJOCYLBP-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628467 1376106042 /nfs/dbraw/zinc/10/60/42/1376106042.db2.gz ICHWQZDVZXRWEO-HKUYNNGSSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188970039 1388423601 /nfs/dbraw/zinc/42/36/01/1388423601.db2.gz FHBXHQNGKZHCCT-SLFFLAALSA-N 2 1 343.515 3.012 20 0 EGADMP Cc1sc2ccccc2c1C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001231644557 1376291049 /nfs/dbraw/zinc/29/10/49/1376291049.db2.gz YHVVVDVIBFCDFE-RBUKOAKNSA-N 2 1 343.540 3.420 20 0 EGADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014850 1376384200 /nfs/dbraw/zinc/38/42/00/1376384200.db2.gz VASFCZQYVHKBPO-HNNXBMFYSA-N 2 1 330.432 3.052 20 0 EGADMP CCCc1noc(C2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)n1 ZINC001232016437 1376385867 /nfs/dbraw/zinc/38/58/67/1376385867.db2.gz XPPZXVRSQVNRDS-UHFFFAOYSA-N 2 1 325.416 3.278 20 0 EGADMP Cc1cc(Br)cnc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001232051158 1376390913 /nfs/dbraw/zinc/39/09/13/1376390913.db2.gz ZIWZMVLVYGLTSJ-UHFFFAOYSA-N 2 1 338.293 3.070 20 0 EGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cnc(OC)c4ccccc34)C[C@@H]2C1 ZINC001232950500 1376546053 /nfs/dbraw/zinc/54/60/53/1376546053.db2.gz GNYVRMPCXGTPFT-IRXDYDNUSA-N 2 1 325.456 3.017 20 0 EGADMP COCOc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001233283613 1376603553 /nfs/dbraw/zinc/60/35/53/1376603553.db2.gz ODGVYHJGVRGXHQ-GOSISDBHSA-N 2 1 328.412 3.026 20 0 EGADMP COCOc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001233283613 1376603558 /nfs/dbraw/zinc/60/35/58/1376603558.db2.gz ODGVYHJGVRGXHQ-GOSISDBHSA-N 2 1 328.412 3.026 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1csc(C)c1 ZINC001134773151 1376714210 /nfs/dbraw/zinc/71/42/10/1376714210.db2.gz MFGWNEXADFEUOV-UONOGXRCSA-N 2 1 339.549 3.160 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001134773180 1376714355 /nfs/dbraw/zinc/71/43/55/1376714355.db2.gz NAJHSLXDYPIKMH-SJORKVTESA-N 2 1 333.520 3.098 20 0 EGADMP CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134792148 1376725972 /nfs/dbraw/zinc/72/59/72/1376725972.db2.gz ZAUYLRQUFWHIMR-HZPDHXFCSA-N 2 1 325.541 3.312 20 0 EGADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235022584 1376828567 /nfs/dbraw/zinc/82/85/67/1376828567.db2.gz OWODXQIWWCFEOG-KRWDZBQOSA-N 2 1 342.405 3.216 20 0 EGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235022584 1376828574 /nfs/dbraw/zinc/82/85/74/1376828574.db2.gz OWODXQIWWCFEOG-KRWDZBQOSA-N 2 1 342.405 3.216 20 0 EGADMP Brc1ccc2cc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)ccc2c1 ZINC001235026808 1376830091 /nfs/dbraw/zinc/83/00/91/1376830091.db2.gz SLNAFSMGNQNNNU-DOTOQJQBSA-N 2 1 331.257 3.396 20 0 EGADMP Brc1ccc2cc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)ccc2c1 ZINC001235026808 1376830095 /nfs/dbraw/zinc/83/00/95/1376830095.db2.gz SLNAFSMGNQNNNU-DOTOQJQBSA-N 2 1 331.257 3.396 20 0 EGADMP CN(c1ccc(C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1)c1ccccc1F ZINC001235032518 1376831934 /nfs/dbraw/zinc/83/19/34/1376831934.db2.gz QKBIEFWBWANCPT-QFBILLFUSA-N 2 1 325.431 3.387 20 0 EGADMP CN(c1ccc(C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1)c1ccccc1F ZINC001235032518 1376831939 /nfs/dbraw/zinc/83/19/39/1376831939.db2.gz QKBIEFWBWANCPT-QFBILLFUSA-N 2 1 325.431 3.387 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235125294 1376854969 /nfs/dbraw/zinc/85/49/69/1376854969.db2.gz OMEKHMQGCWPVMQ-SFTDATJTSA-N 2 1 327.516 3.259 20 0 EGADMP c1ccc(N2CCCC2)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235429173 1376869775 /nfs/dbraw/zinc/86/97/75/1376869775.db2.gz PVCRXVWNOVUHFO-OALUTQOASA-N 2 1 327.516 3.498 20 0 EGADMP Brc1ccoc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427731 1376871082 /nfs/dbraw/zinc/87/10/82/1376871082.db2.gz NAUSVEUGKKBDMH-STQMWFEESA-N 2 1 327.266 3.254 20 0 EGADMP COc1ccc2[nH]cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235431107 1376872147 /nfs/dbraw/zinc/87/21/47/1376872147.db2.gz UQILFCRQBGJZDJ-CVEARBPZSA-N 2 1 327.472 3.388 20 0 EGADMP Cn1ccc(-c2ccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc2)n1 ZINC001235430636 1376872491 /nfs/dbraw/zinc/87/24/91/1376872491.db2.gz KDOOIYJQIIAISD-PMACEKPBSA-N 2 1 338.499 3.299 20 0 EGADMP Cc1ccc2c(n1)N(CC1CC1)CC[N@@H+](Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC001235633647 1376880828 /nfs/dbraw/zinc/88/08/28/1376880828.db2.gz SMPTXZAUAXACFC-UHFFFAOYSA-N 2 1 348.494 3.225 20 0 EGADMP Cc1ccc2c(n1)N(CC1CC1)CC[N@H+](Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC001235633647 1376880830 /nfs/dbraw/zinc/88/08/30/1376880830.db2.gz SMPTXZAUAXACFC-UHFFFAOYSA-N 2 1 348.494 3.225 20 0 EGADMP CC(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135077360 1376882394 /nfs/dbraw/zinc/88/23/94/1376882394.db2.gz NVHOWTCLTUPXMA-DLBZAZTESA-N 2 1 325.541 3.170 20 0 EGADMP CC(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135077361 1376883066 /nfs/dbraw/zinc/88/30/66/1376883066.db2.gz NVHOWTCLTUPXMA-IAGOWNOFSA-N 2 1 325.541 3.170 20 0 EGADMP O=C(NCC[NH2+]CCC1CCCCCC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135102814 1376901001 /nfs/dbraw/zinc/90/10/01/1376901001.db2.gz OIJYYEVGMGTCAV-MOPGFXCFSA-N 2 1 335.536 3.070 20 0 EGADMP COCC[N@H+](Cc1ccc(-c2ccc(C)o2)cc1)C1CC[NH2+]CC1 ZINC001235946038 1376921450 /nfs/dbraw/zinc/92/14/50/1376921450.db2.gz ZSVDZHTWVLUUST-UHFFFAOYSA-N 2 1 328.456 3.455 20 0 EGADMP COCC[N@@H+](Cc1ccc(-c2ccc(C)o2)cc1)C1CC[NH2+]CC1 ZINC001235946038 1376921457 /nfs/dbraw/zinc/92/14/57/1376921457.db2.gz ZSVDZHTWVLUUST-UHFFFAOYSA-N 2 1 328.456 3.455 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236254114 1376945774 /nfs/dbraw/zinc/94/57/74/1376945774.db2.gz UNAUXZYUTOXMAI-QHCPKHFHSA-N 2 1 349.522 3.429 20 0 EGADMP CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236254114 1376945782 /nfs/dbraw/zinc/94/57/82/1376945782.db2.gz UNAUXZYUTOXMAI-QHCPKHFHSA-N 2 1 349.522 3.429 20 0 EGADMP CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236254114 1376945797 /nfs/dbraw/zinc/94/57/97/1376945797.db2.gz UNAUXZYUTOXMAI-QHCPKHFHSA-N 2 1 349.522 3.429 20 0 EGADMP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@]2(C1)CNCCO2 ZINC001237141109 1376976403 /nfs/dbraw/zinc/97/64/03/1376976403.db2.gz DDDPUGLMWVXTIC-OAQYLSRUSA-N 2 1 340.467 3.191 20 0 EGADMP CC(C)Oc1ccc2ccccc2c1CN1CC[C@]2(C1)C[NH2+]CCO2 ZINC001237141109 1376976405 /nfs/dbraw/zinc/97/64/05/1376976405.db2.gz DDDPUGLMWVXTIC-OAQYLSRUSA-N 2 1 340.467 3.191 20 0 EGADMP Clc1cccc2c1CC[C@@H]([NH2+][C@H]1CCCC[C@@]13C[NH2+]CCO3)C2 ZINC001246157432 1377050231 /nfs/dbraw/zinc/05/02/31/1377050231.db2.gz AWVPTEZJPBSBAU-AYOQOUSVSA-N 2 1 334.891 3.088 20 0 EGADMP C[N@@H+]([C@@H]1CCN(Cc2ccccc2)C1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246543529 1377052730 /nfs/dbraw/zinc/05/27/30/1377052730.db2.gz ZMIGJOYNPZVOGK-NYLDSWQDSA-N 2 1 327.516 3.115 20 0 EGADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246749139 1377054526 /nfs/dbraw/zinc/05/45/26/1377054526.db2.gz VIFRBOWKESETNH-MXSMSXNCSA-N 2 1 347.528 3.239 20 0 EGADMP COC(=O)C1CCC([N@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246937487 1377055845 /nfs/dbraw/zinc/05/58/45/1377055845.db2.gz PDSQVXBDNZSTKM-KVZIAJEVSA-N 2 1 348.462 3.112 20 0 EGADMP COC(=O)C1CCC([N@@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246937487 1377055848 /nfs/dbraw/zinc/05/58/48/1377055848.db2.gz PDSQVXBDNZSTKM-KVZIAJEVSA-N 2 1 348.462 3.112 20 0 EGADMP c1ccc(CN2CC3(C2)CCC[N@H+](C2CCC4(C[NH2+]C4)CC2)C3)cc1 ZINC001246939244 1377055861 /nfs/dbraw/zinc/05/58/61/1377055861.db2.gz RFTIPGFGMHGLEE-UHFFFAOYSA-N 2 1 339.527 3.117 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](CC)c1ccccc1 ZINC001135440570 1377098625 /nfs/dbraw/zinc/09/86/25/1377098625.db2.gz ODDFMGUNUKOPJX-LJQANCHMSA-N 2 1 333.520 3.356 20 0 EGADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C[C@H](O)C(C)C)CC3)c1 ZINC001253759455 1377099920 /nfs/dbraw/zinc/09/99/20/1377099920.db2.gz BDLPTNGWMHYCID-FQEVSTJZSA-N 2 1 346.515 3.000 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC001254509348 1377105715 /nfs/dbraw/zinc/10/57/15/1377105715.db2.gz ZSHKFIRGGDMRAQ-SJORKVTESA-N 2 1 337.305 3.380 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135468068 1377107624 /nfs/dbraw/zinc/10/76/24/1377107624.db2.gz LXRJCEYBYRFCDF-DLBZAZTESA-N 2 1 335.536 3.092 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CCc1ccccc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135475661 1377110104 /nfs/dbraw/zinc/11/01/04/1377110104.db2.gz DNWOWHSBIDOPQN-QZTJIDSGSA-N 2 1 347.547 3.080 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135476192 1377111006 /nfs/dbraw/zinc/11/10/06/1377111006.db2.gz JFMIYGWXCAPALF-DLBZAZTESA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135584157 1377155084 /nfs/dbraw/zinc/15/50/84/1377155084.db2.gz LBBICZLUTLXOKW-IAGOWNOFSA-N 2 1 336.524 3.316 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCCC1 ZINC001135600222 1377158979 /nfs/dbraw/zinc/15/89/79/1377158979.db2.gz IYGXORVJASCSCZ-SJORKVTESA-N 2 1 348.535 3.460 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCCC1 ZINC001135678225 1377181242 /nfs/dbraw/zinc/18/12/42/1377181242.db2.gz DDTAEPJSLODXFT-JKSUJKDBSA-N 2 1 334.508 3.035 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CCCC1 ZINC001135679566 1377181801 /nfs/dbraw/zinc/18/18/01/1377181801.db2.gz NQOUUZNHBNZLLE-DLBZAZTESA-N 2 1 348.535 3.425 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC/C=C\c1ccccc1 ZINC001135861935 1377238741 /nfs/dbraw/zinc/23/87/41/1377238741.db2.gz ZGMVORFQTFANII-LZZACLKFSA-N 2 1 345.531 3.305 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266232928 1377238887 /nfs/dbraw/zinc/23/88/87/1377238887.db2.gz DEDUHUJMXKLWGR-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001135975964 1377284607 /nfs/dbraw/zinc/28/46/07/1377284607.db2.gz FTSLZVCDDVODKR-CHWSQXEVSA-N 2 1 345.940 3.116 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCc1ccccc1CC ZINC001135978976 1377284841 /nfs/dbraw/zinc/28/48/41/1377284841.db2.gz AGOOXONWJLRLKR-QZTJIDSGSA-N 2 1 347.547 3.006 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1ccccc1C ZINC001135978980 1377285059 /nfs/dbraw/zinc/28/50/59/1377285059.db2.gz AHIQTXMMHTZHJM-OALUTQOASA-N 2 1 347.547 3.142 20 0 EGADMP CCCc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCC)cc1 ZINC001135980999 1377285652 /nfs/dbraw/zinc/28/56/52/1377285652.db2.gz VYUXXEIFJDJTTD-QZTJIDSGSA-N 2 1 347.547 3.354 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CCCC1 ZINC001135995993 1377292117 /nfs/dbraw/zinc/29/21/17/1377292117.db2.gz PENXELNBNBIXLS-SJORKVTESA-N 2 1 325.541 3.172 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@H+]1C1CCCC1)c1ccsc1 ZINC001136215244 1377365259 /nfs/dbraw/zinc/36/52/59/1377365259.db2.gz CFQYBUBMOBUCJE-ZWKOTPCHSA-N 2 1 349.544 3.264 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001267089896 1377411632 /nfs/dbraw/zinc/41/16/32/1377411632.db2.gz GSJYORJHHGAXPC-UXHICEINSA-N 2 1 345.531 3.162 20 0 EGADMP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@@H](C)c1ccc(Cl)cc1 ZINC001267256449 1377433580 /nfs/dbraw/zinc/43/35/80/1377433580.db2.gz XFVCKQZBMLBCBM-AWEZNQCLSA-N 2 1 348.878 3.044 20 0 EGADMP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@@H](C)c1ccc(Cl)cc1 ZINC001267256449 1377433584 /nfs/dbraw/zinc/43/35/84/1377433584.db2.gz XFVCKQZBMLBCBM-AWEZNQCLSA-N 2 1 348.878 3.044 20 0 EGADMP C[C@H](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@@H+](C)Cc1ccccc1 ZINC001137208743 1377497026 /nfs/dbraw/zinc/49/70/26/1377497026.db2.gz LIBYUYXBEHQQQG-RTBURBONSA-N 2 1 345.531 3.278 20 0 EGADMP Cc1ccc2ncc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@H+]3C)n2c1 ZINC001137310777 1377513882 /nfs/dbraw/zinc/51/38/82/1377513882.db2.gz QCJCCFUBLUNOME-ZWKOTPCHSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1ccc2ncc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@@H+]3C)n2c1 ZINC001137310777 1377513883 /nfs/dbraw/zinc/51/38/83/1377513883.db2.gz QCJCCFUBLUNOME-ZWKOTPCHSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1ccc2ncc(C[N@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)n2c1 ZINC001137310777 1377513884 /nfs/dbraw/zinc/51/38/84/1377513884.db2.gz QCJCCFUBLUNOME-ZWKOTPCHSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1ccc2ncc(C[N@@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)n2c1 ZINC001137310777 1377513885 /nfs/dbraw/zinc/51/38/85/1377513885.db2.gz QCJCCFUBLUNOME-ZWKOTPCHSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4c[nH]c5ncccc45)C[C@@H]3C2)cc1 ZINC001137398998 1377540895 /nfs/dbraw/zinc/54/08/95/1377540895.db2.gz HCVYNXQKNCKCAP-BGYRXZFFSA-N 2 1 346.478 3.435 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4c[nH]c5ncccc45)C[C@@H]3C2)cc1 ZINC001137398998 1377540896 /nfs/dbraw/zinc/54/08/96/1377540896.db2.gz HCVYNXQKNCKCAP-BGYRXZFFSA-N 2 1 346.478 3.435 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4c[nH]c5ncccc45)C[C@@H]3C2)cc1 ZINC001137398998 1377540897 /nfs/dbraw/zinc/54/08/97/1377540897.db2.gz HCVYNXQKNCKCAP-BGYRXZFFSA-N 2 1 346.478 3.435 20 0 EGADMP Cc1cc(N2CC[NH+](Cc3ccc(N4CCCCC4)o3)CC2)cc[nH+]1 ZINC001138179633 1377688090 /nfs/dbraw/zinc/68/80/90/1377688090.db2.gz BNPGYFCZMIJLKO-UHFFFAOYSA-N 2 1 340.471 3.296 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ncccc3O)C[C@@H]21 ZINC001138393770 1377715658 /nfs/dbraw/zinc/71/56/58/1377715658.db2.gz UKDJKDFSQAPSEV-WFXMLNOXSA-N 2 1 337.467 3.398 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ncccc3O)C[C@@H]21 ZINC001138393770 1377715659 /nfs/dbraw/zinc/71/56/59/1377715659.db2.gz UKDJKDFSQAPSEV-WFXMLNOXSA-N 2 1 337.467 3.398 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ncccc3O)C[C@@H]21 ZINC001138393770 1377715660 /nfs/dbraw/zinc/71/56/60/1377715660.db2.gz UKDJKDFSQAPSEV-WFXMLNOXSA-N 2 1 337.467 3.398 20 0 EGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c(C)s1 ZINC001138569800 1377745313 /nfs/dbraw/zinc/74/53/13/1377745313.db2.gz MJYQJWHDKKBNEW-MJGOQNOKSA-N 2 1 344.528 3.052 20 0 EGADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c(C)s1 ZINC001138569800 1377745315 /nfs/dbraw/zinc/74/53/15/1377745315.db2.gz MJYQJWHDKKBNEW-MJGOQNOKSA-N 2 1 344.528 3.052 20 0 EGADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c(C)s1 ZINC001138569800 1377745317 /nfs/dbraw/zinc/74/53/17/1377745317.db2.gz MJYQJWHDKKBNEW-MJGOQNOKSA-N 2 1 344.528 3.052 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c(C)s1 ZINC001138569800 1377745319 /nfs/dbraw/zinc/74/53/19/1377745319.db2.gz MJYQJWHDKKBNEW-MJGOQNOKSA-N 2 1 344.528 3.052 20 0 EGADMP COC1CC[NH+](C2CC[NH+](Cc3ccc4c(ccn4C)c3)CC2)CC1 ZINC001139190081 1377847277 /nfs/dbraw/zinc/84/72/77/1377847277.db2.gz CQBKFAANZKNWKC-UHFFFAOYSA-N 2 1 341.499 3.254 20 0 EGADMP Cn1ncc2cc(C[NH+]3CCC4(CCC[N@@H+]4CC4CC4)CC3)ccc21 ZINC001139949298 1377981394 /nfs/dbraw/zinc/98/13/94/1377981394.db2.gz ICKNKTJGLZXTEW-UHFFFAOYSA-N 2 1 338.499 3.414 20 0 EGADMP Cn1ncc2cc(C[NH+]3CCC4(CCC[N@H+]4CC4CC4)CC3)ccc21 ZINC001139949298 1377981395 /nfs/dbraw/zinc/98/13/95/1377981395.db2.gz ICKNKTJGLZXTEW-UHFFFAOYSA-N 2 1 338.499 3.414 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(Cc3cccnn3)C[C@H]21 ZINC001139972441 1377985495 /nfs/dbraw/zinc/98/54/95/1377985495.db2.gz OKSYMIGSYWSDSQ-KFKAGJAMSA-N 2 1 342.512 3.271 20 0 EGADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccnn3)C[C@H]21 ZINC001139972441 1377985496 /nfs/dbraw/zinc/98/54/96/1377985496.db2.gz OKSYMIGSYWSDSQ-KFKAGJAMSA-N 2 1 342.512 3.271 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccnn3)C[C@H]21 ZINC001139972441 1377985497 /nfs/dbraw/zinc/98/54/97/1377985497.db2.gz OKSYMIGSYWSDSQ-KFKAGJAMSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cccnn3)C[C@H]21 ZINC001139972441 1377985498 /nfs/dbraw/zinc/98/54/98/1377985498.db2.gz OKSYMIGSYWSDSQ-KFKAGJAMSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccnn3)C[C@H]21 ZINC001139972441 1377985499 /nfs/dbraw/zinc/98/54/99/1377985499.db2.gz OKSYMIGSYWSDSQ-KFKAGJAMSA-N 2 1 342.512 3.271 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCN(C)c2nc(C)ccc2C1 ZINC001140025654 1377991799 /nfs/dbraw/zinc/99/17/99/1377991799.db2.gz QWJKJMFVJCJKOE-UHFFFAOYSA-N 2 1 347.466 3.336 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCN(C)c2nc(C)ccc2C1 ZINC001140025654 1377991801 /nfs/dbraw/zinc/99/18/01/1377991801.db2.gz QWJKJMFVJCJKOE-UHFFFAOYSA-N 2 1 347.466 3.336 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C2)C1 ZINC001140413498 1378058946 /nfs/dbraw/zinc/05/89/46/1378058946.db2.gz ZRTYNJBQTDJTOH-LJQANCHMSA-N 2 1 342.874 3.325 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C2)C1 ZINC001140413498 1378058947 /nfs/dbraw/zinc/05/89/47/1378058947.db2.gz ZRTYNJBQTDJTOH-LJQANCHMSA-N 2 1 342.874 3.325 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C2)C1 ZINC001140413498 1378058949 /nfs/dbraw/zinc/05/89/49/1378058949.db2.gz ZRTYNJBQTDJTOH-LJQANCHMSA-N 2 1 342.874 3.325 20 0 EGADMP O=C1CC[C@@H]2[C@@H](CC[N@@H+]2CCC[NH+]2CCCCC2)N1CC1CCCC1 ZINC001272717881 1378080544 /nfs/dbraw/zinc/08/05/44/1378080544.db2.gz AHKBXKWHXXEHRU-WOJBJXKFSA-N 2 1 347.547 3.118 20 0 EGADMP O=C1CC[C@@H]2[C@@H](CC[N@H+]2CCC[NH+]2CCCCC2)N1CC1CCCC1 ZINC001272717881 1378080547 /nfs/dbraw/zinc/08/05/47/1378080547.db2.gz AHKBXKWHXXEHRU-WOJBJXKFSA-N 2 1 347.547 3.118 20 0 EGADMP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2cccc3ccncc32)CC1 ZINC001140644421 1378104259 /nfs/dbraw/zinc/10/42/59/1378104259.db2.gz MWEXFANZBJQBMU-UHFFFAOYSA-N 2 1 339.483 3.310 20 0 EGADMP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2cccc3ccncc32)CC1 ZINC001140644421 1378104262 /nfs/dbraw/zinc/10/42/62/1378104262.db2.gz MWEXFANZBJQBMU-UHFFFAOYSA-N 2 1 339.483 3.310 20 0 EGADMP C[N@H+](Cc1ccc(CO)o1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001140683332 1378113650 /nfs/dbraw/zinc/11/36/50/1378113650.db2.gz WVYWWZMLYJWBKO-UHFFFAOYSA-N 2 1 328.456 3.116 20 0 EGADMP Cc1cc(F)ccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001140777478 1378134008 /nfs/dbraw/zinc/13/40/08/1378134008.db2.gz ATITVBASZLTFAL-UXHICEINSA-N 2 1 339.458 3.483 20 0 EGADMP Cc1cc(F)ccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001140777478 1378134009 /nfs/dbraw/zinc/13/40/09/1378134009.db2.gz ATITVBASZLTFAL-UXHICEINSA-N 2 1 339.458 3.483 20 0 EGADMP Cc1cc(F)ccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001140777478 1378134010 /nfs/dbraw/zinc/13/40/10/1378134010.db2.gz ATITVBASZLTFAL-UXHICEINSA-N 2 1 339.458 3.483 20 0 EGADMP Cc1cc(F)ccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001140777478 1378134011 /nfs/dbraw/zinc/13/40/11/1378134011.db2.gz ATITVBASZLTFAL-UXHICEINSA-N 2 1 339.458 3.483 20 0 EGADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC2(C[C@@H](OCC3CC3)CO2)CC1 ZINC001140801246 1378139818 /nfs/dbraw/zinc/13/98/18/1378139818.db2.gz IPTYYBBXHPVIHZ-QGZVFWFLSA-N 2 1 341.455 3.113 20 0 EGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(Oc3ncccn3)cc1)C2 ZINC001275721508 1378152610 /nfs/dbraw/zinc/15/26/10/1378152610.db2.gz IJBNCISQKPXRPQ-HXUWFJFHSA-N 2 1 338.455 3.187 20 0 EGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(Oc3ncccn3)cc1)C2 ZINC001275721508 1378152612 /nfs/dbraw/zinc/15/26/12/1378152612.db2.gz IJBNCISQKPXRPQ-HXUWFJFHSA-N 2 1 338.455 3.187 20 0 EGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(Oc3ncccn3)cc1)C2 ZINC001275721508 1378152617 /nfs/dbraw/zinc/15/26/17/1378152617.db2.gz IJBNCISQKPXRPQ-HXUWFJFHSA-N 2 1 338.455 3.187 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(Oc3ncccn3)cc1)C2 ZINC001275721508 1378152620 /nfs/dbraw/zinc/15/26/20/1378152620.db2.gz IJBNCISQKPXRPQ-HXUWFJFHSA-N 2 1 338.455 3.187 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(Oc3ncccn3)cc1)C2 ZINC001275721508 1378152623 /nfs/dbraw/zinc/15/26/23/1378152623.db2.gz IJBNCISQKPXRPQ-HXUWFJFHSA-N 2 1 338.455 3.187 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4c(N)cccc4F)C[C@H]3C2)cc1 ZINC001140874072 1378164563 /nfs/dbraw/zinc/16/45/63/1378164563.db2.gz YFZQLGDPQWHJFT-HDICACEKSA-N 2 1 339.458 3.280 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC001140968798 1378196591 /nfs/dbraw/zinc/19/65/91/1378196591.db2.gz QVQRAQCAQIUTOZ-FQEVSTJZSA-N 2 1 335.495 3.428 20 0 EGADMP COc1ccccc1C[N@@H+](C)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140973642 1378198243 /nfs/dbraw/zinc/19/82/43/1378198243.db2.gz NFNWWRHVKPIJSC-UHFFFAOYSA-N 2 1 339.483 3.079 20 0 EGADMP COc1ccc2nc(Cl)c(C[NH+]3CC4(C3)CC[NH+](C)CC4)cc2c1 ZINC001141066354 1378227343 /nfs/dbraw/zinc/22/73/43/1378227343.db2.gz OFCRPVKBTCVZKB-UHFFFAOYSA-N 2 1 345.874 3.424 20 0 EGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccnc4ccc(OC)cc34)C[C@@H]2C1 ZINC001141152515 1378250953 /nfs/dbraw/zinc/25/09/53/1378250953.db2.gz LZZRZUSWXCCMMD-CALCHBBNSA-N 2 1 325.456 3.017 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccnc4ccc(OC)cc34)C[C@@H]2C1 ZINC001141152515 1378250960 /nfs/dbraw/zinc/25/09/60/1378250960.db2.gz LZZRZUSWXCCMMD-CALCHBBNSA-N 2 1 325.456 3.017 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccnc4ccc(OC)cc34)C[C@@H]2C1 ZINC001141152515 1378250969 /nfs/dbraw/zinc/25/09/69/1378250969.db2.gz LZZRZUSWXCCMMD-CALCHBBNSA-N 2 1 325.456 3.017 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccnc4ccc(OC)cc34)C[C@@H]2C1 ZINC001141152515 1378250974 /nfs/dbraw/zinc/25/09/74/1378250974.db2.gz LZZRZUSWXCCMMD-CALCHBBNSA-N 2 1 325.456 3.017 20 0 EGADMP Cc1ccc(CN2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c(F)c1 ZINC001141192457 1378263900 /nfs/dbraw/zinc/26/39/00/1378263900.db2.gz MNAWXJZSMOWCNN-HXUWFJFHSA-N 2 1 334.479 3.457 20 0 EGADMP Clc1ccc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)nn1 ZINC001142071012 1378410495 /nfs/dbraw/zinc/41/04/95/1378410495.db2.gz PNXGNYIHUFNSRY-UHFFFAOYSA-N 2 1 346.862 3.211 20 0 EGADMP Clc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)nn1 ZINC001142071012 1378410497 /nfs/dbraw/zinc/41/04/97/1378410497.db2.gz PNXGNYIHUFNSRY-UHFFFAOYSA-N 2 1 346.862 3.211 20 0 EGADMP Clc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)nn1 ZINC001142071012 1378410498 /nfs/dbraw/zinc/41/04/98/1378410498.db2.gz PNXGNYIHUFNSRY-UHFFFAOYSA-N 2 1 346.862 3.211 20 0 EGADMP C[NH+](C)CCN(CC1CCCCC1)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001142306226 1378432518 /nfs/dbraw/zinc/43/25/18/1378432518.db2.gz BEAAFDLLVVIQLE-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP C[NH+](C)CCN(CC1CCCCC1)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001142306226 1378432520 /nfs/dbraw/zinc/43/25/20/1378432520.db2.gz BEAAFDLLVVIQLE-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCOC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1 ZINC001142594890 1378462959 /nfs/dbraw/zinc/46/29/59/1378462959.db2.gz CXNUVKZIMIGDQT-UHFFFAOYSA-N 2 1 332.488 3.416 20 0 EGADMP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc5n[nH]cc54)C[C@H]3C2)c1 ZINC001143088883 1378536082 /nfs/dbraw/zinc/53/60/82/1378536082.db2.gz BVUYZNAGPKNJGO-HOTGVXAUSA-N 2 1 338.480 3.188 20 0 EGADMP Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c(N)n1 ZINC001143200541 1378558128 /nfs/dbraw/zinc/55/81/28/1378558128.db2.gz DDQYNSQPYANGFG-UHFFFAOYSA-N 2 1 340.471 3.053 20 0 EGADMP Cc1cc(F)cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001143588009 1378621676 /nfs/dbraw/zinc/62/16/76/1378621676.db2.gz XLURTCFTUUQCDE-UXHICEINSA-N 2 1 339.458 3.483 20 0 EGADMP Cc1cc(F)cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001143588009 1378621678 /nfs/dbraw/zinc/62/16/78/1378621678.db2.gz XLURTCFTUUQCDE-UXHICEINSA-N 2 1 339.458 3.483 20 0 EGADMP Cc1cc(F)cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001143588009 1378621680 /nfs/dbraw/zinc/62/16/80/1378621680.db2.gz XLURTCFTUUQCDE-UXHICEINSA-N 2 1 339.458 3.483 20 0 EGADMP Cc1cc(F)cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001143588009 1378621682 /nfs/dbraw/zinc/62/16/82/1378621682.db2.gz XLURTCFTUUQCDE-UXHICEINSA-N 2 1 339.458 3.483 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)CC(C)C ZINC001144190008 1378695627 /nfs/dbraw/zinc/69/56/27/1378695627.db2.gz PYKSGTHVXLITQZ-XDNAFOTISA-N 2 1 325.541 3.120 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001146593890 1378872852 /nfs/dbraw/zinc/87/28/52/1378872852.db2.gz RCLPMNLOWZTTRD-CABCVRRESA-N 2 1 347.494 3.025 20 0 EGADMP Cc1cccc(C)c1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146594480 1378874518 /nfs/dbraw/zinc/87/45/18/1378874518.db2.gz SXYAHQQTJAQAHW-ZWKOTPCHSA-N 2 1 333.520 3.017 20 0 EGADMP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706564 1378903784 /nfs/dbraw/zinc/90/37/84/1378903784.db2.gz HAWCTHZHUKCFSP-ZWKOTPCHSA-N 2 1 333.520 3.182 20 0 EGADMP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706564 1378903790 /nfs/dbraw/zinc/90/37/90/1378903790.db2.gz HAWCTHZHUKCFSP-ZWKOTPCHSA-N 2 1 333.520 3.182 20 0 EGADMP CC/C=C/CC[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147717565 1379065877 /nfs/dbraw/zinc/06/58/77/1379065877.db2.gz ZRXXHQLNMKRDHG-UEKDZROGSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C/CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147717565 1379065885 /nfs/dbraw/zinc/06/58/85/1379065885.db2.gz ZRXXHQLNMKRDHG-UEKDZROGSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C/CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147717565 1379065894 /nfs/dbraw/zinc/06/58/94/1379065894.db2.gz ZRXXHQLNMKRDHG-UEKDZROGSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2)[NH+](CC)CC ZINC001148284757 1379145133 /nfs/dbraw/zinc/14/51/33/1379145133.db2.gz CLZMZHGZPIZHPW-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001148605753 1379224117 /nfs/dbraw/zinc/22/41/17/1379224117.db2.gz UDXWEMRWUGERNN-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1[C@H]([NH2+]CCC2CC2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001283904220 1379250472 /nfs/dbraw/zinc/25/04/72/1379250472.db2.gz DZHZAYNJQWJEDW-QFBILLFUSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC[C@H]1CCC[C@H](C)C1)C2 ZINC001148842843 1379282281 /nfs/dbraw/zinc/28/22/81/1379282281.db2.gz CZXAYBKWTXOGNP-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CC[C@H]1CCC[C@H](C)C1)C2 ZINC001148842843 1379282284 /nfs/dbraw/zinc/28/22/84/1379282284.db2.gz CZXAYBKWTXOGNP-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CC[C@H]1CCC[C@H](C)C1)C2 ZINC001148842843 1379282287 /nfs/dbraw/zinc/28/22/87/1379282287.db2.gz CZXAYBKWTXOGNP-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152391558 1379925839 /nfs/dbraw/zinc/92/58/39/1379925839.db2.gz CQIROLOORHIKOV-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152391558 1379925847 /nfs/dbraw/zinc/92/58/47/1379925847.db2.gz CQIROLOORHIKOV-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152391558 1379925856 /nfs/dbraw/zinc/92/58/56/1379925856.db2.gz CQIROLOORHIKOV-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001284642239 1380048129 /nfs/dbraw/zinc/04/81/29/1380048129.db2.gz MQSNEFZUSHDZQJ-KRWDZBQOSA-N 2 1 325.541 3.029 20 0 EGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001153362218 1380064975 /nfs/dbraw/zinc/06/49/75/1380064975.db2.gz KXBDMGKTWBZQMF-MOPGFXCFSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153362218 1380064979 /nfs/dbraw/zinc/06/49/79/1380064979.db2.gz KXBDMGKTWBZQMF-MOPGFXCFSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153362218 1380064984 /nfs/dbraw/zinc/06/49/84/1380064984.db2.gz KXBDMGKTWBZQMF-MOPGFXCFSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1cccc(C)c1 ZINC001153720502 1380118820 /nfs/dbraw/zinc/11/88/20/1380118820.db2.gz GRRDDKYZNZNYCY-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(C)c1 ZINC001153720502 1380118821 /nfs/dbraw/zinc/11/88/21/1380118821.db2.gz GRRDDKYZNZNYCY-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(C)c1 ZINC001153720502 1380118825 /nfs/dbraw/zinc/11/88/25/1380118825.db2.gz GRRDDKYZNZNYCY-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153819092 1380136058 /nfs/dbraw/zinc/13/60/58/1380136058.db2.gz NDIRZKWVUKBGBR-QZTJIDSGSA-N 2 1 343.531 3.216 20 0 EGADMP CC[NH+](CCCCCF)[C@H](C)CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001153819092 1380136059 /nfs/dbraw/zinc/13/60/59/1380136059.db2.gz NDIRZKWVUKBGBR-QZTJIDSGSA-N 2 1 343.531 3.216 20 0 EGADMP CC[NH+](CCCCCF)[C@H](C)CNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001153819092 1380136060 /nfs/dbraw/zinc/13/60/60/1380136060.db2.gz NDIRZKWVUKBGBR-QZTJIDSGSA-N 2 1 343.531 3.216 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153819003 1380136131 /nfs/dbraw/zinc/13/61/31/1380136131.db2.gz JWFKOCIZKBAQBI-JCMVTEASSA-N 2 1 337.552 3.432 20 0 EGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001153819003 1380136132 /nfs/dbraw/zinc/13/61/32/1380136132.db2.gz JWFKOCIZKBAQBI-JCMVTEASSA-N 2 1 337.552 3.432 20 0 EGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001153819003 1380136133 /nfs/dbraw/zinc/13/61/33/1380136133.db2.gz JWFKOCIZKBAQBI-JCMVTEASSA-N 2 1 337.552 3.432 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153879933 1380149022 /nfs/dbraw/zinc/14/90/22/1380149022.db2.gz PHHOJURUKWQJHA-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153879933 1380149025 /nfs/dbraw/zinc/14/90/25/1380149025.db2.gz PHHOJURUKWQJHA-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153879933 1380149028 /nfs/dbraw/zinc/14/90/28/1380149028.db2.gz PHHOJURUKWQJHA-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCC1CCCCC1)[NH+](C)C ZINC001154000472 1380175167 /nfs/dbraw/zinc/17/51/67/1380175167.db2.gz DCMMQUTXRZGYMX-SJLPKXTDSA-N 2 1 325.541 3.124 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455099 1380280630 /nfs/dbraw/zinc/28/06/30/1380280630.db2.gz FNKTZHDRDUAFHE-HTJOGQSXSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)C1 ZINC001154825546 1380359198 /nfs/dbraw/zinc/35/91/98/1380359198.db2.gz RMOJCSVHQJUEIJ-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844766 1380363508 /nfs/dbraw/zinc/36/35/08/1380363508.db2.gz YWROBIGJMPZOSO-SCTDSRPQSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CCC1CCCC1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001154844766 1380363510 /nfs/dbraw/zinc/36/35/10/1380363510.db2.gz YWROBIGJMPZOSO-SCTDSRPQSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CCC1CCCC1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001154844766 1380363514 /nfs/dbraw/zinc/36/35/14/1380363514.db2.gz YWROBIGJMPZOSO-SCTDSRPQSA-N 2 1 337.552 3.124 20 0 EGADMP [NH3+][C@H]1CCC[C@@H](Nc2[nH+]cnc3c2ccn3Cc2ccc(F)cc2)C1 ZINC001154986387 1380384835 /nfs/dbraw/zinc/38/48/35/1380384835.db2.gz SDSJYAIHTJAQQK-JKSUJKDBSA-N 2 1 339.418 3.301 20 0 EGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3CC[NH2+][C@@H]3C)c2c1C ZINC001155188413 1380421480 /nfs/dbraw/zinc/42/14/80/1380421480.db2.gz GCYVLYYQEMPISG-TZMCWYRMSA-N 2 1 345.516 3.066 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155249978 1380428955 /nfs/dbraw/zinc/42/89/55/1380428955.db2.gz XJJYWXINRVJOPU-GOSISDBHSA-N 2 1 347.547 3.421 20 0 EGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155254876 1380429235 /nfs/dbraw/zinc/42/92/35/1380429235.db2.gz HMSJREJIWYYMKQ-QZTJIDSGSA-N 2 1 335.536 3.045 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001155254876 1380429236 /nfs/dbraw/zinc/42/92/36/1380429236.db2.gz HMSJREJIWYYMKQ-QZTJIDSGSA-N 2 1 335.536 3.045 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001155254876 1380429238 /nfs/dbraw/zinc/42/92/38/1380429238.db2.gz HMSJREJIWYYMKQ-QZTJIDSGSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001155255240 1380429366 /nfs/dbraw/zinc/42/93/66/1380429366.db2.gz OMPSOKKERKDXSO-RBUKOAKNSA-N 2 1 347.547 3.034 20 0 EGADMP CC[C@H](C)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001155255240 1380429367 /nfs/dbraw/zinc/42/93/67/1380429367.db2.gz OMPSOKKERKDXSO-RBUKOAKNSA-N 2 1 347.547 3.034 20 0 EGADMP CC[C@H](C)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001155255240 1380429368 /nfs/dbraw/zinc/42/93/68/1380429368.db2.gz OMPSOKKERKDXSO-RBUKOAKNSA-N 2 1 347.547 3.034 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263675 1380430061 /nfs/dbraw/zinc/43/00/61/1380430061.db2.gz WIGLIXBOCCZMGE-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](CCCC1CCC1)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001155263675 1380430062 /nfs/dbraw/zinc/43/00/62/1380430062.db2.gz WIGLIXBOCCZMGE-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](CCCC1CCC1)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001155263675 1380430063 /nfs/dbraw/zinc/43/00/63/1380430063.db2.gz WIGLIXBOCCZMGE-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155283389 1380433292 /nfs/dbraw/zinc/43/32/92/1380433292.db2.gz QUQMQMSIXLSCSA-QGZVFWFLSA-N 2 1 335.536 3.045 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001155283389 1380433293 /nfs/dbraw/zinc/43/32/93/1380433293.db2.gz QUQMQMSIXLSCSA-QGZVFWFLSA-N 2 1 335.536 3.045 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001155283389 1380433294 /nfs/dbraw/zinc/43/32/94/1380433294.db2.gz QUQMQMSIXLSCSA-QGZVFWFLSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1Cl)[NH+](C)C ZINC001155289427 1380433953 /nfs/dbraw/zinc/43/39/53/1380433953.db2.gz RTTULZOFQNWEKF-PBHICJAKSA-N 2 1 339.911 3.007 20 0 EGADMP [NH3+][C@@H]1Cc2ccccc2N(c2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001155299534 1380434795 /nfs/dbraw/zinc/43/47/95/1380434795.db2.gz PWAKXKBKMXWCMV-MRXNPFEDSA-N 2 1 342.874 3.352 20 0 EGADMP Cc1cc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)nc2cc(Cl)ccc12 ZINC001155376732 1380443357 /nfs/dbraw/zinc/44/33/57/1380443357.db2.gz NRADQLPUQHQDPF-INIZCTEOSA-N 2 1 344.890 3.056 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001155620520 1380474747 /nfs/dbraw/zinc/47/47/47/1380474747.db2.gz KJDAVHVGQTXBDR-MSOLQXFVSA-N 2 1 325.541 3.266 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001155620520 1380474749 /nfs/dbraw/zinc/47/47/49/1380474749.db2.gz KJDAVHVGQTXBDR-MSOLQXFVSA-N 2 1 325.541 3.266 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001155620520 1380474751 /nfs/dbraw/zinc/47/47/51/1380474751.db2.gz KJDAVHVGQTXBDR-MSOLQXFVSA-N 2 1 325.541 3.266 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001155621096 1380474880 /nfs/dbraw/zinc/47/48/80/1380474880.db2.gz MZSKRKXOTHFLOZ-TYFAACHXSA-N 2 1 337.552 3.432 20 0 EGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001155621096 1380474881 /nfs/dbraw/zinc/47/48/81/1380474881.db2.gz MZSKRKXOTHFLOZ-TYFAACHXSA-N 2 1 337.552 3.432 20 0 EGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001155621096 1380474883 /nfs/dbraw/zinc/47/48/83/1380474883.db2.gz MZSKRKXOTHFLOZ-TYFAACHXSA-N 2 1 337.552 3.432 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001155883697 1380502433 /nfs/dbraw/zinc/50/24/33/1380502433.db2.gz BUDBPPJZDBAIEB-QZTJIDSGSA-N 2 1 327.557 3.370 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCC1)C(C)C ZINC001155884063 1380502489 /nfs/dbraw/zinc/50/24/89/1380502489.db2.gz ZPIDIRJTKRPQAX-IEBWSBKVSA-N 2 1 339.568 3.370 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC001155997494 1380511974 /nfs/dbraw/zinc/51/19/74/1380511974.db2.gz CXLDOQHYHXUCAQ-RTBURBONSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001155997494 1380511975 /nfs/dbraw/zinc/51/19/75/1380511975.db2.gz CXLDOQHYHXUCAQ-RTBURBONSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001155997494 1380511976 /nfs/dbraw/zinc/51/19/76/1380511976.db2.gz CXLDOQHYHXUCAQ-RTBURBONSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(NCC[NH+]2CCSCC2)nc1 ZINC001157050309 1380760742 /nfs/dbraw/zinc/76/07/42/1380760742.db2.gz RAZXJTSHVOURDH-GOSISDBHSA-N 2 1 348.560 3.479 20 0 EGADMP Cc1c[nH+]c(N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)cc1N ZINC001157074824 1380768530 /nfs/dbraw/zinc/76/85/30/1380768530.db2.gz SXTDKJXGHWKVTD-UHFFFAOYSA-N 2 1 328.435 3.212 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098448 1380775151 /nfs/dbraw/zinc/77/51/51/1380775151.db2.gz GOUHLFRSRMUVMS-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109931 1380778893 /nfs/dbraw/zinc/77/88/93/1380778893.db2.gz WGCJQHUXYNJXCZ-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001157109931 1380778898 /nfs/dbraw/zinc/77/88/98/1380778898.db2.gz WGCJQHUXYNJXCZ-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001157109931 1380778902 /nfs/dbraw/zinc/77/89/02/1380778902.db2.gz WGCJQHUXYNJXCZ-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3nc(Cl)cc4ccc(F)cc43)CC2)C1 ZINC001158260246 1381176661 /nfs/dbraw/zinc/17/66/61/1381176661.db2.gz ZIKBTSPQSHXTHZ-CQSZACIVSA-N 2 1 348.853 3.029 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](C2CCN(c3nc(Cl)cc4ccc(F)cc43)CC2)C1 ZINC001158260246 1381176667 /nfs/dbraw/zinc/17/66/67/1381176667.db2.gz ZIKBTSPQSHXTHZ-CQSZACIVSA-N 2 1 348.853 3.029 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001158353981 1381212863 /nfs/dbraw/zinc/21/28/63/1381212863.db2.gz DIAYYKDUJIKNFH-ADKAHSJRSA-N 2 1 348.535 3.319 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158437766 1381246164 /nfs/dbraw/zinc/24/61/64/1381246164.db2.gz BYKICPCJFPSZCT-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccc(C)cc1 ZINC001158617010 1381324087 /nfs/dbraw/zinc/32/40/87/1381324087.db2.gz XWEAHDMGDSYJCP-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158749823 1381381153 /nfs/dbraw/zinc/38/11/53/1381381153.db2.gz APOFRFXTLAUEFF-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001158749823 1381381159 /nfs/dbraw/zinc/38/11/59/1381381159.db2.gz APOFRFXTLAUEFF-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001158749823 1381381164 /nfs/dbraw/zinc/38/11/64/1381381164.db2.gz APOFRFXTLAUEFF-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CC(C)C1 ZINC001158781349 1381396700 /nfs/dbraw/zinc/39/67/00/1381396700.db2.gz NSGZEKIFQAOYGO-CTWPCTMYSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC(C)C1 ZINC001158781349 1381396707 /nfs/dbraw/zinc/39/67/07/1381396707.db2.gz NSGZEKIFQAOYGO-CTWPCTMYSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC(C)C1 ZINC001158781349 1381396713 /nfs/dbraw/zinc/39/67/13/1381396713.db2.gz NSGZEKIFQAOYGO-CTWPCTMYSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158857296 1381437419 /nfs/dbraw/zinc/43/74/19/1381437419.db2.gz ZLZDEZRFDQJDEF-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001158857296 1381437430 /nfs/dbraw/zinc/43/74/30/1381437430.db2.gz ZLZDEZRFDQJDEF-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001158857296 1381437442 /nfs/dbraw/zinc/43/74/42/1381437442.db2.gz ZLZDEZRFDQJDEF-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@@H+](Cc1sc(N2CCCCC2)nc1C)C1CC[NH2+]CC1 ZINC001328401101 1388737442 /nfs/dbraw/zinc/73/74/42/1388737442.db2.gz RQZJVNUBMPUQNV-UHFFFAOYSA-N 2 1 336.549 3.406 20 0 EGADMP [NH3+]CCOc1cccc(Nc2c[nH+]c3ccc(Br)cn23)c1 ZINC001159203478 1381729754 /nfs/dbraw/zinc/72/97/54/1381729754.db2.gz FIVKEOONTCNFFQ-UHFFFAOYSA-N 2 1 347.216 3.178 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1C ZINC001159334273 1381767760 /nfs/dbraw/zinc/76/77/60/1381767760.db2.gz BNVOIZGFFBCHKX-MJGOQNOKSA-N 2 1 331.504 3.026 20 0 EGADMP CN1CC[NH+](Cc2cccc(Nc3ccc(C(C)(C)[NH3+])cc3)c2)CC1 ZINC001159662001 1381862878 /nfs/dbraw/zinc/86/28/78/1381862878.db2.gz NSXJFOWWCBOBLV-UHFFFAOYSA-N 2 1 338.499 3.371 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001159902223 1381932716 /nfs/dbraw/zinc/93/27/16/1381932716.db2.gz VBCLVBBVUGZZCD-HXUWFJFHSA-N 2 1 345.531 3.162 20 0 EGADMP CCC/C=C/CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159908254 1381934754 /nfs/dbraw/zinc/93/47/54/1381934754.db2.gz HSTWBEAKAOIPEU-PXPVJAHISA-N 2 1 335.536 3.236 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159917472 1381936581 /nfs/dbraw/zinc/93/65/81/1381936581.db2.gz XAUTXTHVZNTMDR-LJQANCHMSA-N 2 1 335.536 3.070 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353440 1382080905 /nfs/dbraw/zinc/08/09/05/1382080905.db2.gz VAKQQEZHJNHDSQ-FQEVSTJZSA-N 2 1 349.563 3.293 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160353440 1382080908 /nfs/dbraw/zinc/08/09/08/1382080908.db2.gz VAKQQEZHJNHDSQ-FQEVSTJZSA-N 2 1 349.563 3.293 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001160353440 1382080912 /nfs/dbraw/zinc/08/09/12/1382080912.db2.gz VAKQQEZHJNHDSQ-FQEVSTJZSA-N 2 1 349.563 3.293 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC1=CC[NH+](CCC2CC2)CC1 ZINC001160360660 1382081911 /nfs/dbraw/zinc/08/19/11/1382081911.db2.gz UJJTXCJMUGMRLC-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NCCC1=CC[N@H+](CCC2CC2)CC1 ZINC001160360660 1382081916 /nfs/dbraw/zinc/08/19/16/1382081916.db2.gz UJJTXCJMUGMRLC-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001160360660 1382081920 /nfs/dbraw/zinc/08/19/20/1382081920.db2.gz UJJTXCJMUGMRLC-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@H](C(=O)NCCC1=CC[N@@H+](Cc2csc(C)c2)CC1)[NH+](C)C ZINC001160478854 1382118416 /nfs/dbraw/zinc/11/84/16/1382118416.db2.gz BKOWZFZSQZOCEC-GOSISDBHSA-N 2 1 349.544 3.035 20 0 EGADMP CC(C)[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)CC1 ZINC001328510353 1388768329 /nfs/dbraw/zinc/76/83/29/1388768329.db2.gz UXLRBCRWXAUARY-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161030362 1382278134 /nfs/dbraw/zinc/27/81/34/1382278134.db2.gz ZVNPEZDUXMMIIS-SREVYHEPSA-N 2 1 335.536 3.213 20 0 EGADMP C[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CCC2CCCCC2)CC1 ZINC001161090197 1382295125 /nfs/dbraw/zinc/29/51/25/1382295125.db2.gz QXULCFFIKABMQL-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP C[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CC2CCC(C)(C)CC2)CC1 ZINC001161089743 1382295247 /nfs/dbraw/zinc/29/52/47/1382295247.db2.gz NBAMBRIYIYWIPG-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP CC(C)[C@H](C(=O)NCCC1=CC[N@@H+](CC2CC(C)(C)C2)CC1)[NH+](C)C ZINC001161133789 1382313968 /nfs/dbraw/zinc/31/39/68/1382313968.db2.gz QPHGJUTZOXIOQB-LJQANCHMSA-N 2 1 349.563 3.147 20 0 EGADMP CC[N@@H+](CCC1CC1)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001328572680 1388777548 /nfs/dbraw/zinc/77/75/48/1388777548.db2.gz BABQTEFQEOBLKD-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CCC1CC1)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001328572680 1388777554 /nfs/dbraw/zinc/77/75/54/1388777554.db2.gz BABQTEFQEOBLKD-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CCC1CC1)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001328572680 1388777557 /nfs/dbraw/zinc/77/75/57/1388777557.db2.gz BABQTEFQEOBLKD-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](CCC1CC1)CC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001328572682 1388777673 /nfs/dbraw/zinc/77/76/73/1388777673.db2.gz BABQTEFQEOBLKD-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CCC1CC1)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001328572682 1388777675 /nfs/dbraw/zinc/77/76/75/1388777675.db2.gz BABQTEFQEOBLKD-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CCC1CC1)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001328572682 1388777677 /nfs/dbraw/zinc/77/76/77/1388777677.db2.gz BABQTEFQEOBLKD-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)CC)c1ccc(F)cc1 ZINC001161227004 1382348566 /nfs/dbraw/zinc/34/85/66/1382348566.db2.gz SSIZMOVMIIYFPF-KRWDZBQOSA-N 2 1 337.483 3.103 20 0 EGADMP CCCc1cc(NCC2CC[NH+](Cc3ccccn3)CC2)nc(C)[nH+]1 ZINC001161245955 1382353219 /nfs/dbraw/zinc/35/32/19/1382353219.db2.gz HXOXMZFYRCSVFI-UHFFFAOYSA-N 2 1 339.487 3.457 20 0 EGADMP CC[NH+](CC)CC(=O)NCCC1=CC[N@@H+](CC2CCCCC2)CC1 ZINC001161504720 1382425715 /nfs/dbraw/zinc/42/57/15/1382425715.db2.gz QNEVELZPKKHRTG-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001161644801 1382468161 /nfs/dbraw/zinc/46/81/61/1382468161.db2.gz STPGVSVTPPZSDY-LJQANCHMSA-N 2 1 349.563 3.173 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](Cc2ccccc2)CC1 ZINC001161749995 1382494798 /nfs/dbraw/zinc/49/47/98/1382494798.db2.gz RMNSWUXAQWBWPL-UHFFFAOYSA-N 2 1 343.515 3.057 20 0 EGADMP CCC[NH+](C)CCC(=O)NCCC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001161749995 1382494800 /nfs/dbraw/zinc/49/48/00/1382494800.db2.gz RMNSWUXAQWBWPL-UHFFFAOYSA-N 2 1 343.515 3.057 20 0 EGADMP CCC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001161749995 1382494801 /nfs/dbraw/zinc/49/48/01/1382494801.db2.gz RMNSWUXAQWBWPL-UHFFFAOYSA-N 2 1 343.515 3.057 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161899436 1382544019 /nfs/dbraw/zinc/54/40/19/1382544019.db2.gz YAEZFYMQZKQABC-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952260 1382567141 /nfs/dbraw/zinc/56/71/41/1382567141.db2.gz FBFGWMPVHMHTBQ-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161952263 1382567493 /nfs/dbraw/zinc/56/74/93/1382567493.db2.gz FDKQUBCLDGNNDL-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952660 1382569866 /nfs/dbraw/zinc/56/98/66/1382569866.db2.gz ICDUDGMXABHABU-HXUWFJFHSA-N 2 1 349.563 3.291 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC001328676762 1388804676 /nfs/dbraw/zinc/80/46/76/1388804676.db2.gz GHNMWGGEBOERHO-MRXNPFEDSA-N 2 1 336.549 3.439 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H](Nc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)C1 ZINC001162396926 1382747316 /nfs/dbraw/zinc/74/73/16/1382747316.db2.gz PTEWINGYDPGYJD-BFYDXBDKSA-N 3 1 327.476 3.033 20 0 EGADMP CC[N@@H+]1CC=C(c2cnc(NC[C@@]3(F)CCCC[NH2+]C3)c(C)c2)CC1 ZINC001162580678 1382797883 /nfs/dbraw/zinc/79/78/83/1382797883.db2.gz WFMDDGRXGWJPFY-HXUWFJFHSA-N 2 1 346.494 3.393 20 0 EGADMP CCC/C=C/CC[NH2+]CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001163274658 1383010818 /nfs/dbraw/zinc/01/08/18/1383010818.db2.gz BHZAHUBSCOFLKX-AATRIKPKSA-N 2 1 337.552 3.483 20 0 EGADMP C[N@@H+](CCC(=O)NCCC[NH2+]CC1CC2(CCC2)C1)C1CCCCC1 ZINC001163275098 1383010892 /nfs/dbraw/zinc/01/08/92/1383010892.db2.gz QBLIRHPTBHYKKU-UHFFFAOYSA-N 2 1 349.563 3.317 20 0 EGADMP c1cc2c3c([nH]c2c(NC[C@@H]2CO[C@@]4(C2)CCC[NH2+]C4)[nH+]1)CCCC3 ZINC001163279928 1383012302 /nfs/dbraw/zinc/01/23/02/1383012302.db2.gz PHLAYBWTWRLTNM-JLTOFOAXSA-N 2 1 340.471 3.012 20 0 EGADMP Cc1c[nH]c2nc[nH+]c(NC3CC[NH+](C[C@H]4CC=CCC4)CC3)c12 ZINC001163315128 1383019797 /nfs/dbraw/zinc/01/97/97/1383019797.db2.gz KEBFWJXTRCWCDN-HNNXBMFYSA-N 2 1 325.460 3.499 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)C[N@H+](C)CC(C)(C)C)cc1Cl ZINC001297272233 1383135830 /nfs/dbraw/zinc/13/58/30/1383135830.db2.gz NMFIJBVYZVPHAE-UHFFFAOYSA-N 2 1 325.884 3.318 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)C[N@@H+](C)CC(C)(C)C)cc1Cl ZINC001297272233 1383135833 /nfs/dbraw/zinc/13/58/33/1383135833.db2.gz NMFIJBVYZVPHAE-UHFFFAOYSA-N 2 1 325.884 3.318 20 0 EGADMP Cc1c[nH+]c(N2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c(N)c1 ZINC001164203147 1383165676 /nfs/dbraw/zinc/16/56/76/1383165676.db2.gz LFPHJCSVYMYLRU-UHFFFAOYSA-N 2 1 333.439 3.155 20 0 EGADMP CC1(C)CC(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001164501140 1383193927 /nfs/dbraw/zinc/19/39/27/1383193927.db2.gz TVWFUMHRXRFAFG-IBGZPJMESA-N 2 1 349.563 3.316 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164501231 1383193993 /nfs/dbraw/zinc/19/39/93/1383193993.db2.gz WSOMRWCGSOGSOE-FQEVSTJZSA-N 2 1 349.563 3.460 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC1(C[NH2+]CC2CCC2)CC1 ZINC001164578883 1383201042 /nfs/dbraw/zinc/20/10/42/1383201042.db2.gz XFZCOKJNAZXBPP-INIZCTEOSA-N 2 1 346.519 3.073 20 0 EGADMP c1[nH+]c2cc(NC[C@H]3CCCCO3)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001165229948 1383254175 /nfs/dbraw/zinc/25/41/75/1383254175.db2.gz PRSXLGYZHLXGDS-IAGOWNOFSA-N 2 1 328.460 3.332 20 0 EGADMP COc1cc2c[nH+]c(N3CCCCC34CC[NH2+]CC4)cc2cc1OC ZINC001165340936 1383278020 /nfs/dbraw/zinc/27/80/20/1383278020.db2.gz ZAKNSRJMDQRRSP-UHFFFAOYSA-N 2 1 341.455 3.365 20 0 EGADMP C[N@@H+](CC(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1)C1CCC1 ZINC001165501100 1383303860 /nfs/dbraw/zinc/30/38/60/1383303860.db2.gz AFUWYTJDNYOJFH-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001166736477 1383468133 /nfs/dbraw/zinc/46/81/33/1383468133.db2.gz NEGSNCBXNRFWMT-ROUUACIJSA-N 2 1 337.552 3.031 20 0 EGADMP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N(C)C[C@@H]3CC[NH2+]C3)c12 ZINC001166958104 1383505043 /nfs/dbraw/zinc/50/50/43/1383505043.db2.gz SWODPFTZUBQENQ-GOSISDBHSA-N 2 1 349.482 3.142 20 0 EGADMP O=C(NCCC1(C[NH2+]CC2CCCC2)CC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001167426742 1383630813 /nfs/dbraw/zinc/63/08/13/1383630813.db2.gz YEDUVAFGDZTPFB-OALUTQOASA-N 2 1 347.547 3.070 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001167458874 1383638589 /nfs/dbraw/zinc/63/85/89/1383638589.db2.gz MLCGTHWSDOIJEP-UHFFFAOYSA-N 2 1 348.535 3.284 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]C[C@H](C)CC)CC1 ZINC001167470917 1383642530 /nfs/dbraw/zinc/64/25/30/1383642530.db2.gz IVZURRBUIPLVSF-GOSISDBHSA-N 2 1 339.568 3.421 20 0 EGADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC001167478828 1383646001 /nfs/dbraw/zinc/64/60/01/1383646001.db2.gz YXKWTQGMLKRADK-OAQYLSRUSA-N 3 1 329.532 3.446 20 0 EGADMP C[NH+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001167478828 1383646003 /nfs/dbraw/zinc/64/60/03/1383646003.db2.gz YXKWTQGMLKRADK-OAQYLSRUSA-N 3 1 329.532 3.446 20 0 EGADMP C[NH+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001167478828 1383646005 /nfs/dbraw/zinc/64/60/05/1383646005.db2.gz YXKWTQGMLKRADK-OAQYLSRUSA-N 3 1 329.532 3.446 20 0 EGADMP CN(Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001167478828 1383646006 /nfs/dbraw/zinc/64/60/06/1383646006.db2.gz YXKWTQGMLKRADK-OAQYLSRUSA-N 2 1 329.532 3.446 20 0 EGADMP CN(Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001167478828 1383646007 /nfs/dbraw/zinc/64/60/07/1383646007.db2.gz YXKWTQGMLKRADK-OAQYLSRUSA-N 2 1 329.532 3.446 20 0 EGADMP CN1CCC[C@@H](C[N@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001167478828 1383646008 /nfs/dbraw/zinc/64/60/08/1383646008.db2.gz YXKWTQGMLKRADK-OAQYLSRUSA-N 2 1 329.532 3.446 20 0 EGADMP CN1CCC[C@@H](C[N@@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001167478828 1383646009 /nfs/dbraw/zinc/64/60/09/1383646009.db2.gz YXKWTQGMLKRADK-OAQYLSRUSA-N 2 1 329.532 3.446 20 0 EGADMP C[C@@H]1CN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001167575755 1383675191 /nfs/dbraw/zinc/67/51/91/1383675191.db2.gz HRIBUAKISZNCFW-BVYCBKJFSA-N 2 1 336.479 3.316 20 0 EGADMP C[C@@H]1CN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001167575755 1383675195 /nfs/dbraw/zinc/67/51/95/1383675195.db2.gz HRIBUAKISZNCFW-BVYCBKJFSA-N 2 1 336.479 3.316 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001167628145 1383693482 /nfs/dbraw/zinc/69/34/82/1383693482.db2.gz WOAJULRDPYKINK-IBGZPJMESA-N 2 1 335.536 3.236 20 0 EGADMP CCCC[NH+](CCCC)CCNc1ccc(C[C@H]([NH3+])C(=O)OC)cc1 ZINC001167733484 1383725478 /nfs/dbraw/zinc/72/54/78/1383725478.db2.gz XEKROCXXEFEHHR-IBGZPJMESA-N 2 1 349.519 3.044 20 0 EGADMP COc1cc2[nH+]ccc(NCCC[N@H+]3CCCC[C@H]3C)c2cc1OC ZINC001167753225 1383731958 /nfs/dbraw/zinc/73/19/58/1383731958.db2.gz MPZJCIBUAAGKGV-OAHLLOKOSA-N 2 1 343.471 3.350 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001167823767 1383749723 /nfs/dbraw/zinc/74/97/23/1383749723.db2.gz FICNHHTXSPIYQF-IHPCNDPISA-N 2 1 338.536 3.157 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001167836627 1383754979 /nfs/dbraw/zinc/75/49/79/1383754979.db2.gz GDOIESRMEJYSJA-UYAOXDASSA-N 3 1 339.568 3.072 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)N1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001167836627 1383754986 /nfs/dbraw/zinc/75/49/86/1383754986.db2.gz GDOIESRMEJYSJA-UYAOXDASSA-N 2 1 339.568 3.072 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)N1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001167836627 1383754990 /nfs/dbraw/zinc/75/49/90/1383754990.db2.gz GDOIESRMEJYSJA-UYAOXDASSA-N 2 1 339.568 3.072 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2cccc(C(=O)OC)c2C1 ZINC001167842785 1383756918 /nfs/dbraw/zinc/75/69/18/1383756918.db2.gz YRDGCTLCQJSNLR-MRXNPFEDSA-N 2 1 332.488 3.342 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN2CCc3ccccc3[C@@H]2C1 ZINC001167842911 1383757169 /nfs/dbraw/zinc/75/71/69/1383757169.db2.gz ZPEVLBNXQMEFIS-RXVVDRJESA-N 2 1 329.532 3.412 20 0 EGADMP [NH3+]C1(CC2CCC2)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167974842 1383784647 /nfs/dbraw/zinc/78/46/47/1383784647.db2.gz BMUPLTXMFGHFLR-YOFSQIOKSA-N 2 1 331.548 3.375 20 0 EGADMP CCOC(=O)CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167988606 1383788649 /nfs/dbraw/zinc/78/86/49/1383788649.db2.gz RJVHJILBLLNCIS-DFNIBXOVSA-N 2 1 334.504 3.057 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC2(C)OCCO2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018584 1383798284 /nfs/dbraw/zinc/79/82/84/1383798284.db2.gz ZZXDCQPXGGMEBD-IZZQQSIFSA-N 2 1 332.488 3.171 20 0 EGADMP C[C@@H]1CC([NH2+]C[C@@H](O)c2ccccn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168018778 1383798773 /nfs/dbraw/zinc/79/87/73/1383798773.db2.gz DLSKBLBWFLHOLR-CBGDNZLLSA-N 2 1 339.483 3.146 20 0 EGADMP CCC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168031828 1383800501 /nfs/dbraw/zinc/80/05/01/1383800501.db2.gz FFQIRLVYOPRASY-HNJRGHQBSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H]1C[C@@H](N2CCC([NH+](C)C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168038919 1383802004 /nfs/dbraw/zinc/80/20/04/1383802004.db2.gz AEQZHGFUMHKSTJ-RMFSNUHRSA-N 2 1 329.532 3.454 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CN(C)C3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056267 1383805675 /nfs/dbraw/zinc/80/56/75/1383805675.db2.gz FBEHEKFKKUXVSP-OPVJXMOQSA-N 2 1 327.516 3.066 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC3(CN(C)C3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056267 1383805681 /nfs/dbraw/zinc/80/56/81/1383805681.db2.gz FBEHEKFKKUXVSP-OPVJXMOQSA-N 2 1 327.516 3.066 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+]2CCC3(CN(C)C3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056267 1383805685 /nfs/dbraw/zinc/80/56/85/1383805685.db2.gz FBEHEKFKKUXVSP-OPVJXMOQSA-N 2 1 327.516 3.066 20 0 EGADMP CCOC(=O)[C@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056805 1383805772 /nfs/dbraw/zinc/80/57/72/1383805772.db2.gz IRRRZGSTSZRXQI-HNJRGHQBSA-N 2 1 344.499 3.313 20 0 EGADMP CCOC(=O)[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056805 1383805776 /nfs/dbraw/zinc/80/57/76/1383805776.db2.gz IRRRZGSTSZRXQI-HNJRGHQBSA-N 2 1 344.499 3.313 20 0 EGADMP CCOC(=O)[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056805 1383805782 /nfs/dbraw/zinc/80/57/82/1383805782.db2.gz IRRRZGSTSZRXQI-HNJRGHQBSA-N 2 1 344.499 3.313 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CCO1 ZINC001168128033 1383823926 /nfs/dbraw/zinc/82/39/26/1383823926.db2.gz MBJBAGXMHXWRMT-ZVXZJYCBSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CCO1 ZINC001168128033 1383823929 /nfs/dbraw/zinc/82/39/29/1383823929.db2.gz MBJBAGXMHXWRMT-ZVXZJYCBSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)CCO1 ZINC001168128033 1383823932 /nfs/dbraw/zinc/82/39/32/1383823932.db2.gz MBJBAGXMHXWRMT-ZVXZJYCBSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CCO1 ZINC001168128033 1383823934 /nfs/dbraw/zinc/82/39/34/1383823934.db2.gz MBJBAGXMHXWRMT-ZVXZJYCBSA-N 2 1 343.515 3.181 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CCn4c(C)c[nH+]c43)CC1)C2 ZINC001168271649 1383859636 /nfs/dbraw/zinc/85/96/36/1383859636.db2.gz HSYHIVSWGMAVHG-SFHVURJKSA-N 2 1 337.467 3.105 20 0 EGADMP C[NH+](C)C1CCC([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168306125 1383868447 /nfs/dbraw/zinc/86/84/47/1383868447.db2.gz RHUGXQJSOYNXMX-OFVLBHHSSA-N 3 1 330.520 3.026 20 0 EGADMP C[NH+](C)C1CCC([N@@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001168324915 1383873504 /nfs/dbraw/zinc/87/35/04/1383873504.db2.gz ZUZVMKFRRMYKBZ-KLAILNCOSA-N 2 1 339.524 3.048 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001168331088 1383875214 /nfs/dbraw/zinc/87/52/14/1383875214.db2.gz YREKCYZQSHXWME-XEVCZEQESA-N 2 1 344.499 3.315 20 0 EGADMP COc1ccccc1[C@@H](O)C[N@@H+](C(C)C)C1CC[NH+](CC2CC2)CC1 ZINC001168387313 1383891739 /nfs/dbraw/zinc/89/17/39/1383891739.db2.gz CMWLQLBMWTUPNJ-FQEVSTJZSA-N 2 1 346.515 3.313 20 0 EGADMP CCCc1noc([C@H]2CCC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)n1 ZINC001168387535 1383892179 /nfs/dbraw/zinc/89/21/79/1383892179.db2.gz JDUMWPNIWDVDRA-INIZCTEOSA-N 2 1 332.492 3.076 20 0 EGADMP CCCc1noc([C@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)n1 ZINC001168387535 1383892185 /nfs/dbraw/zinc/89/21/85/1383892185.db2.gz JDUMWPNIWDVDRA-INIZCTEOSA-N 2 1 332.492 3.076 20 0 EGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168398405 1383895828 /nfs/dbraw/zinc/89/58/28/1383895828.db2.gz RQPWFAXQDODNJN-QGZVFWFLSA-N 2 1 345.506 3.379 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1cccc(CC)c1 ZINC001168596353 1383944317 /nfs/dbraw/zinc/94/43/17/1383944317.db2.gz UBWGSVFLOOYRFK-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001168595583 1383944839 /nfs/dbraw/zinc/94/48/39/1383944839.db2.gz LFJRWLIMXUIXRU-HXUWFJFHSA-N 2 1 345.531 3.282 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001307448558 1383992742 /nfs/dbraw/zinc/99/27/42/1383992742.db2.gz ASYSNURRDOUYKA-QGZVFWFLSA-N 2 1 341.540 3.297 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001307448558 1383992750 /nfs/dbraw/zinc/99/27/50/1383992750.db2.gz ASYSNURRDOUYKA-QGZVFWFLSA-N 2 1 341.540 3.297 20 0 EGADMP c1ccc2c(c1)cccc2OCCNc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001169011169 1384089101 /nfs/dbraw/zinc/08/91/01/1384089101.db2.gz OHYQIDCYNJKOGY-UHFFFAOYSA-N 2 1 348.450 3.135 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CC3(CC(NC(=O)OC(C)(C)C)C3)C1)C2 ZINC001169090230 1384105435 /nfs/dbraw/zinc/10/54/35/1384105435.db2.gz IVBFRBKJRBLCPV-YBQGTDIDSA-N 2 1 349.519 3.037 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(N3CCCCCC3=O)c1)C2 ZINC001169115331 1384109067 /nfs/dbraw/zinc/10/90/67/1384109067.db2.gz IUNRPAUAGBXXNF-REPLKXPHSA-N 2 1 341.499 3.308 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(N3CCCCCC3=O)c1)C2 ZINC001169115331 1384109069 /nfs/dbraw/zinc/10/90/69/1384109069.db2.gz IUNRPAUAGBXXNF-REPLKXPHSA-N 2 1 341.499 3.308 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(Cc3cccc(F)c3)CCOCC1)C2 ZINC001169118054 1384109366 /nfs/dbraw/zinc/10/93/66/1384109366.db2.gz CMUMPAVQDDLAKY-OWZKRDHZSA-N 2 1 346.490 3.380 20 0 EGADMP C[C@@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001169124907 1384110351 /nfs/dbraw/zinc/11/03/51/1384110351.db2.gz GQVFRIFIDIUVAJ-LXDWIVHCSA-N 2 1 327.516 3.206 20 0 EGADMP C[C@@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC001169124907 1384110353 /nfs/dbraw/zinc/11/03/53/1384110353.db2.gz GQVFRIFIDIUVAJ-LXDWIVHCSA-N 2 1 327.516 3.206 20 0 EGADMP C[C@@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC001169124907 1384110355 /nfs/dbraw/zinc/11/03/55/1384110355.db2.gz GQVFRIFIDIUVAJ-LXDWIVHCSA-N 2 1 327.516 3.206 20 0 EGADMP CC(C)COc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC001308260223 1384113727 /nfs/dbraw/zinc/11/37/27/1384113727.db2.gz FVFIFDPXCRLDAZ-NRFANRHFSA-N 2 1 346.515 3.454 20 0 EGADMP CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144591 1384114074 /nfs/dbraw/zinc/11/40/74/1384114074.db2.gz KDCFGPDVQGVACF-PLACYPQZSA-N 2 1 327.516 3.208 20 0 EGADMP CCN([C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169144591 1384114077 /nfs/dbraw/zinc/11/40/77/1384114077.db2.gz KDCFGPDVQGVACF-PLACYPQZSA-N 2 1 327.516 3.208 20 0 EGADMP CCN([C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169144591 1384114078 /nfs/dbraw/zinc/11/40/78/1384114078.db2.gz KDCFGPDVQGVACF-PLACYPQZSA-N 2 1 327.516 3.208 20 0 EGADMP CC1(C)CCC[C@H](C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001308283094 1384116295 /nfs/dbraw/zinc/11/62/95/1384116295.db2.gz PXLGJKIYFUJKHH-PZJWPPBQSA-N 2 1 330.516 3.429 20 0 EGADMP CC1(C)CCC[C@H](C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001308283094 1384116297 /nfs/dbraw/zinc/11/62/97/1384116297.db2.gz PXLGJKIYFUJKHH-PZJWPPBQSA-N 2 1 330.516 3.429 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001169153650 1384116401 /nfs/dbraw/zinc/11/64/01/1384116401.db2.gz KQGAQHSRWXDOHR-YXIAPDDASA-N 2 1 339.527 3.066 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001169153650 1384116402 /nfs/dbraw/zinc/11/64/02/1384116402.db2.gz KQGAQHSRWXDOHR-YXIAPDDASA-N 2 1 339.527 3.066 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001169153650 1384116403 /nfs/dbraw/zinc/11/64/03/1384116403.db2.gz KQGAQHSRWXDOHR-YXIAPDDASA-N 2 1 339.527 3.066 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccccc2Cl)C1 ZINC001308368147 1384122588 /nfs/dbraw/zinc/12/25/88/1384122588.db2.gz PXOZAMISHKVNMW-GOSISDBHSA-N 2 1 330.859 3.196 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@]2(C)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001169219708 1384123957 /nfs/dbraw/zinc/12/39/57/1384123957.db2.gz IDXLHNQLYJLNFE-IBGZPJMESA-N 2 1 339.524 3.240 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(Oc3ccc(C)cc3OC)CC2)CC1 ZINC001169263776 1384129178 /nfs/dbraw/zinc/12/91/78/1384129178.db2.gz BFIMTJIOWDWMKP-UHFFFAOYSA-N 2 1 332.488 3.331 20 0 EGADMP CC[NH+]1CCC([N@@H+]2CCC[C@](C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC001169264873 1384129272 /nfs/dbraw/zinc/12/92/72/1384129272.db2.gz RQHDHTBPGQHMAE-LJQANCHMSA-N 2 1 339.524 3.098 20 0 EGADMP CC[NH+]1CCC([N@H+]2CCC[C@](C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC001169264873 1384129274 /nfs/dbraw/zinc/12/92/74/1384129274.db2.gz RQHDHTBPGQHMAE-LJQANCHMSA-N 2 1 339.524 3.098 20 0 EGADMP CCOc1ccc(NC2CC[NH+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC001169264077 1384129319 /nfs/dbraw/zinc/12/93/19/1384129319.db2.gz GZDGLPXHBNGWRL-UHFFFAOYSA-N 2 1 331.504 3.446 20 0 EGADMP C[C@@H](c1nccc2ccccc21)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001308628820 1384137454 /nfs/dbraw/zinc/13/74/54/1384137454.db2.gz WCULYJLPQPYDLW-HKUYNNGSSA-N 2 1 338.499 3.008 20 0 EGADMP C[C@@H](c1nccc2ccccc21)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001308628820 1384137456 /nfs/dbraw/zinc/13/74/56/1384137456.db2.gz WCULYJLPQPYDLW-HKUYNNGSSA-N 2 1 338.499 3.008 20 0 EGADMP CC(C)(C)OC(=O)Nc1cc(NCC23CC[NH+](CC2)CC3)cc[nH+]1 ZINC001169797105 1384187049 /nfs/dbraw/zinc/18/70/49/1384187049.db2.gz YMIAKNMTUNLOTA-UHFFFAOYSA-N 2 1 332.448 3.326 20 0 EGADMP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169811111 1384188070 /nfs/dbraw/zinc/18/80/70/1384188070.db2.gz TYPWEJJCEHBWQA-IAGOWNOFSA-N 2 1 325.541 3.172 20 0 EGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001170433163 1384317521 /nfs/dbraw/zinc/31/75/21/1384317521.db2.gz XQKRWHYMYDIZSJ-QGZVFWFLSA-N 2 1 330.472 3.297 20 0 EGADMP CC(C)C[C@@]1(C)CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001170481894 1384327249 /nfs/dbraw/zinc/32/72/49/1384327249.db2.gz XTKXBZRFYAEWDB-TZIWHRDSSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001170741354 1384376022 /nfs/dbraw/zinc/37/60/22/1384376022.db2.gz DWVMHGIDNPZZKK-UYAOXDASSA-N 2 1 345.531 3.324 20 0 EGADMP CC1(C)[C@@H]2C[C@H]([NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)C[C@@H]21 ZINC001170754162 1384380136 /nfs/dbraw/zinc/38/01/36/1384380136.db2.gz UBFZNZZNFPYUER-REPLKXPHSA-N 2 1 344.499 3.381 20 0 EGADMP CC1(C)[C@@H]2C[C@H]([NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)C[C@@H]21 ZINC001170754162 1384380138 /nfs/dbraw/zinc/38/01/38/1384380138.db2.gz UBFZNZZNFPYUER-REPLKXPHSA-N 2 1 344.499 3.381 20 0 EGADMP COc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCCOCC2)c1 ZINC001170800505 1384388028 /nfs/dbraw/zinc/38/80/28/1384388028.db2.gz DBCGSNKOTPROFR-FHWLQOOXSA-N 2 1 332.488 3.336 20 0 EGADMP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170862901 1384401025 /nfs/dbraw/zinc/40/10/25/1384401025.db2.gz PYXMOLVBFXDEGX-KZNAEPCWSA-N 2 1 325.541 3.172 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH2+]CCCC1CCC1)c1ccccc1 ZINC001170867761 1384401231 /nfs/dbraw/zinc/40/12/31/1384401231.db2.gz MFQQZITYRDQUGM-HXUWFJFHSA-N 2 1 345.531 3.356 20 0 EGADMP CC/C=C/CC[NH2+]CCCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001170868164 1384401474 /nfs/dbraw/zinc/40/14/74/1384401474.db2.gz PWIXMZVPCZXYNM-GHOSXJJBSA-N 2 1 331.504 3.132 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CC1 ZINC001170879726 1384403721 /nfs/dbraw/zinc/40/37/21/1384403721.db2.gz ZUCSYOZPRXUZTI-CVEARBPZSA-N 2 1 334.508 3.071 20 0 EGADMP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCc4ccc(Br)cc4C3)C2)C1 ZINC001170886279 1384405251 /nfs/dbraw/zinc/40/52/51/1384405251.db2.gz QIBBUNXUYABIMF-ROUUACIJSA-N 2 1 349.316 3.334 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCc4ccc(Br)cc4C3)C2)C1 ZINC001170886279 1384405255 /nfs/dbraw/zinc/40/52/55/1384405255.db2.gz QIBBUNXUYABIMF-ROUUACIJSA-N 2 1 349.316 3.334 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCc4ccc(Br)cc4C3)C2)C1 ZINC001170886279 1384405257 /nfs/dbraw/zinc/40/52/57/1384405257.db2.gz QIBBUNXUYABIMF-ROUUACIJSA-N 2 1 349.316 3.334 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCc4ccc(Br)cc4C3)C2)C1 ZINC001170886279 1384405259 /nfs/dbraw/zinc/40/52/59/1384405259.db2.gz QIBBUNXUYABIMF-ROUUACIJSA-N 2 1 349.316 3.334 20 0 EGADMP COC1CC[NH+](C2CC[NH+]([C@@H]3CCc4cccc(F)c4C3)CC2)CC1 ZINC001171010119 1384429266 /nfs/dbraw/zinc/42/92/66/1384429266.db2.gz LNJWZEBEPWMDLO-GOSISDBHSA-N 2 1 346.490 3.258 20 0 EGADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4cc(Cl)c(Cl)cc4C3)C[C@@H]2C1 ZINC001171172515 1384459828 /nfs/dbraw/zinc/45/98/28/1384459828.db2.gz OVEXRWDMOBXZDA-ZNMIVQPWSA-N 2 1 325.283 3.344 20 0 EGADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4cc(Cl)c(Cl)cc4C3)C[C@@H]2C1 ZINC001171172515 1384459831 /nfs/dbraw/zinc/45/98/31/1384459831.db2.gz OVEXRWDMOBXZDA-ZNMIVQPWSA-N 2 1 325.283 3.344 20 0 EGADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4cc(Cl)c(Cl)cc4C3)C[C@@H]2C1 ZINC001171172515 1384459833 /nfs/dbraw/zinc/45/98/33/1384459833.db2.gz OVEXRWDMOBXZDA-ZNMIVQPWSA-N 2 1 325.283 3.344 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCCC(C)(C)C)C(=O)CC1CC[NH+](C)CC1 ZINC001316601713 1384468286 /nfs/dbraw/zinc/46/82/86/1384468286.db2.gz IEKCBOYSANQTGO-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171254325 1384479702 /nfs/dbraw/zinc/47/97/02/1384479702.db2.gz RAJYIMSRAOKQQJ-INIZCTEOSA-N 2 1 325.541 3.172 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171260283 1384481080 /nfs/dbraw/zinc/48/10/80/1384481080.db2.gz HFMKYHWQEVROPI-QGZVFWFLSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171317023 1384493345 /nfs/dbraw/zinc/49/33/45/1384493345.db2.gz CTIGKWGGHIYHTC-ICSRJNTNSA-N 2 1 345.531 3.326 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171330821 1384496205 /nfs/dbraw/zinc/49/62/05/1384496205.db2.gz VIOFDZFBLFRSQU-PKOBYXMFSA-N 2 1 337.552 3.316 20 0 EGADMP C[N@H+]1CCCC[C@H]1c1ccc(N2c3ccccc3OC[C@H]2C[NH3+])nc1 ZINC001171399246 1384512410 /nfs/dbraw/zinc/51/24/10/1384512410.db2.gz GTRVMHCWTQPIIL-SJORKVTESA-N 2 1 338.455 3.096 20 0 EGADMP Fc1cccc2c1CC[C@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001171409266 1384515217 /nfs/dbraw/zinc/51/52/17/1384515217.db2.gz PFBLVODMARSRRK-LLMJNHHCSA-N 2 1 336.454 3.403 20 0 EGADMP Fc1cccc2c1CC[C@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001171409266 1384515220 /nfs/dbraw/zinc/51/52/20/1384515220.db2.gz PFBLVODMARSRRK-LLMJNHHCSA-N 2 1 336.454 3.403 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171545295 1384558948 /nfs/dbraw/zinc/55/89/48/1384558948.db2.gz DHCOVJXQQNOEOI-IEBWSBKVSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171547488 1384559281 /nfs/dbraw/zinc/55/92/81/1384559281.db2.gz SKNZSLWYZYILTC-MJGOQNOKSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CC1=CCCCC1 ZINC001171586822 1384573245 /nfs/dbraw/zinc/57/32/45/1384573245.db2.gz UDZKOWYJIRIEMR-QGZVFWFLSA-N 2 1 337.552 3.482 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)C1 ZINC001171616833 1384581098 /nfs/dbraw/zinc/58/10/98/1384581098.db2.gz XKDFYBJGWHKLSZ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1cccnc1O[C@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641901 1384589580 /nfs/dbraw/zinc/58/95/80/1384589580.db2.gz VNUHMVSARRCLRQ-KRWDZBQOSA-N 2 1 331.504 3.495 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001171645826 1384591030 /nfs/dbraw/zinc/59/10/30/1384591030.db2.gz CKJQMPIRWIYDRZ-OALUTQOASA-N 2 1 337.552 3.338 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001171732085 1384618264 /nfs/dbraw/zinc/61/82/64/1384618264.db2.gz UNTQUGLMXCDCDW-GOSISDBHSA-N 2 1 333.520 3.192 20 0 EGADMP C[C@@H]1C[C@H](N(CC[NH3+])c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC001171739215 1384620885 /nfs/dbraw/zinc/62/08/85/1384620885.db2.gz PLLASLHDHLPAOO-UZLBHIALSA-N 2 1 327.447 3.254 20 0 EGADMP C[C@H]1C[C@H](N[C@H]2CC[NH+](CC(C)(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC001171741896 1384621863 /nfs/dbraw/zinc/62/18/63/1384621863.db2.gz WWSTVGXQTSPMKD-IHPCNDPISA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]1C[C@H](N[C@H]2CC[NH+](CC(C)(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC001171741896 1384621866 /nfs/dbraw/zinc/62/18/66/1384621866.db2.gz WWSTVGXQTSPMKD-IHPCNDPISA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]1C[C@H](N[C@H]2CC[N@H+](CC(C)(C)C)C2)C[NH+]1Cc1ccccc1 ZINC001171741896 1384621868 /nfs/dbraw/zinc/62/18/68/1384621868.db2.gz WWSTVGXQTSPMKD-IHPCNDPISA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]1C[C@H](N[C@H]2CC[N@@H+](CC(C)(C)C)C2)C[NH+]1Cc1ccccc1 ZINC001171741896 1384621869 /nfs/dbraw/zinc/62/18/69/1384621869.db2.gz WWSTVGXQTSPMKD-IHPCNDPISA-N 2 1 329.532 3.359 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001171763324 1384628404 /nfs/dbraw/zinc/62/84/04/1384628404.db2.gz ZCDFLNKUBLLNSG-UHFFFAOYSA-N 2 1 345.531 3.282 20 0 EGADMP C[C@@H]1C[C@H](N2CCC[C@@H]2C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171765270 1384629705 /nfs/dbraw/zinc/62/97/05/1384629705.db2.gz XNGZNAPDCLUCST-NRSPTQNISA-N 2 1 327.516 3.210 20 0 EGADMP Cc1ccc[nH+]c1N([C@@H]1Cc2cccc(F)c2C1)C1CC[NH2+]CC1 ZINC001171812325 1384646299 /nfs/dbraw/zinc/64/62/99/1384646299.db2.gz NPOKYQSLRIGLRD-QGZVFWFLSA-N 2 1 325.431 3.255 20 0 EGADMP CCOC(CN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)OCC ZINC001171966349 1384697332 /nfs/dbraw/zinc/69/73/32/1384697332.db2.gz KMTMCNCDIJFGAV-GOSISDBHSA-N 2 1 334.504 3.418 20 0 EGADMP CCOC(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)OCC ZINC001171966349 1384697337 /nfs/dbraw/zinc/69/73/37/1384697337.db2.gz KMTMCNCDIJFGAV-GOSISDBHSA-N 2 1 334.504 3.418 20 0 EGADMP CC1(C)C[C@@H]([NH2+]Cc2ccc(=O)[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC001171972504 1384699701 /nfs/dbraw/zinc/69/97/01/1384699701.db2.gz QJJRJZAOHJHHLN-SFHVURJKSA-N 2 1 325.456 3.320 20 0 EGADMP COC(=O)C1CC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171974121 1384700643 /nfs/dbraw/zinc/70/06/43/1384700643.db2.gz BTKGMOKRVLDJIE-ACBHZAAOSA-N 2 1 344.499 3.218 20 0 EGADMP C[N@H+]1CCN([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1(C)C ZINC001171989151 1384705621 /nfs/dbraw/zinc/70/56/21/1384705621.db2.gz YWMXBMXWNODAHJ-IBGZPJMESA-N 2 1 329.532 3.456 20 0 EGADMP C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1(C)C ZINC001171989151 1384705628 /nfs/dbraw/zinc/70/56/28/1384705628.db2.gz YWMXBMXWNODAHJ-IBGZPJMESA-N 2 1 329.532 3.456 20 0 EGADMP C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1(C)C ZINC001171989151 1384705631 /nfs/dbraw/zinc/70/56/31/1384705631.db2.gz YWMXBMXWNODAHJ-IBGZPJMESA-N 2 1 329.532 3.456 20 0 EGADMP CCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171989137 1384706058 /nfs/dbraw/zinc/70/60/58/1384706058.db2.gz YOYUOZHWNSXUOH-FQEVSTJZSA-N 2 1 329.532 3.457 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n(C)n1 ZINC001172064278 1384715429 /nfs/dbraw/zinc/71/54/29/1384715429.db2.gz GYNJRYVTRQEFCS-OWZKRDHZSA-N 2 1 338.499 3.404 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n(C)n1 ZINC001172064278 1384715433 /nfs/dbraw/zinc/71/54/33/1384715433.db2.gz GYNJRYVTRQEFCS-OWZKRDHZSA-N 2 1 338.499 3.404 20 0 EGADMP C[C@H]1C[C@@H](CO)[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067554 1384716967 /nfs/dbraw/zinc/71/69/67/1384716967.db2.gz CYCPUQTVZZORJC-RQUKQETFSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@H]1C[C@@H](CO)[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067554 1384716971 /nfs/dbraw/zinc/71/69/71/1384716971.db2.gz CYCPUQTVZZORJC-RQUKQETFSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@H]1C[C@@H](CO)[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172067554 1384716981 /nfs/dbraw/zinc/71/69/81/1384716981.db2.gz CYCPUQTVZZORJC-RQUKQETFSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@H]1C[C@@H](CO)[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067554 1384716983 /nfs/dbraw/zinc/71/69/83/1384716983.db2.gz CYCPUQTVZZORJC-RQUKQETFSA-N 2 1 328.500 3.275 20 0 EGADMP COCC[NH+](CCOC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172080066 1384721926 /nfs/dbraw/zinc/72/19/26/1384721926.db2.gz SQBLPDHZYWAASM-WKCHPHFGSA-N 2 1 346.515 3.167 20 0 EGADMP COCC[NH+](CCOC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172080066 1384721931 /nfs/dbraw/zinc/72/19/31/1384721931.db2.gz SQBLPDHZYWAASM-WKCHPHFGSA-N 2 1 346.515 3.167 20 0 EGADMP OC[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172080362 1384722775 /nfs/dbraw/zinc/72/27/75/1384722775.db2.gz ULWWQFNJKRUUFH-UWHLTILDSA-N 2 1 328.500 3.276 20 0 EGADMP OC[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172080362 1384722776 /nfs/dbraw/zinc/72/27/76/1384722776.db2.gz ULWWQFNJKRUUFH-UWHLTILDSA-N 2 1 328.500 3.276 20 0 EGADMP OC[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172080362 1384722780 /nfs/dbraw/zinc/72/27/80/1384722780.db2.gz ULWWQFNJKRUUFH-UWHLTILDSA-N 2 1 328.500 3.276 20 0 EGADMP OC[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172080362 1384722781 /nfs/dbraw/zinc/72/27/81/1384722781.db2.gz ULWWQFNJKRUUFH-UWHLTILDSA-N 2 1 328.500 3.276 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC001335806664 1388940235 /nfs/dbraw/zinc/94/02/35/1388940235.db2.gz NVJYPEOPHJBRQP-ACBHZAAOSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001172102222 1384726711 /nfs/dbraw/zinc/72/67/11/1384726711.db2.gz LAGLPUKAQUHZJA-XSDIEEQYSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001172102222 1384726719 /nfs/dbraw/zinc/72/67/19/1384726719.db2.gz LAGLPUKAQUHZJA-XSDIEEQYSA-N 3 1 327.516 3.113 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001172102222 1384726724 /nfs/dbraw/zinc/72/67/24/1384726724.db2.gz LAGLPUKAQUHZJA-XSDIEEQYSA-N 3 1 327.516 3.113 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccc(F)cc3)CC1)C2 ZINC001172104227 1384726770 /nfs/dbraw/zinc/72/67/70/1384726770.db2.gz AYBPCWKYTBCMGI-WKCHPHFGSA-N 2 1 345.506 3.395 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccc(F)cc3)CC1)C2 ZINC001172104227 1384726773 /nfs/dbraw/zinc/72/67/73/1384726773.db2.gz AYBPCWKYTBCMGI-WKCHPHFGSA-N 2 1 345.506 3.395 20 0 EGADMP Cn1c2ccccc2nc1CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107028 1384728018 /nfs/dbraw/zinc/72/80/18/1384728018.db2.gz SLGTZTWQOKLMGF-OSYLJGHBSA-N 2 1 326.488 3.111 20 0 EGADMP COc1ccc(C2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCOCC2)cc1 ZINC001172111304 1384729472 /nfs/dbraw/zinc/72/94/72/1384729472.db2.gz PUBIYEBRWILJCZ-LDLYASANSA-N 2 1 344.499 3.306 20 0 EGADMP COc1ccc(C2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCOCC2)cc1 ZINC001172111304 1384729477 /nfs/dbraw/zinc/72/94/77/1384729477.db2.gz PUBIYEBRWILJCZ-LDLYASANSA-N 2 1 344.499 3.306 20 0 EGADMP Cc1c(CC[NH3+])c2cc(O)ccc2n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115105 1384731463 /nfs/dbraw/zinc/73/14/63/1384731463.db2.gz UMEGPKJMIZOPJX-MUJYYYPQSA-N 2 1 327.472 3.344 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@]3(C[C@H](OCC4CC4)CO3)C1)C2 ZINC001172117668 1384732353 /nfs/dbraw/zinc/73/23/53/1384732353.db2.gz KMSYRUDAPNFOBQ-XIYVOTBMSA-N 2 1 348.531 3.052 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@]3(C[C@H](OCC4CC4)CO3)C1)C2 ZINC001172117668 1384732354 /nfs/dbraw/zinc/73/23/54/1384732354.db2.gz KMSYRUDAPNFOBQ-XIYVOTBMSA-N 2 1 348.531 3.052 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@]3(C[C@H](OCC4CC4)CO3)C1)C2 ZINC001172117668 1384732356 /nfs/dbraw/zinc/73/23/56/1384732356.db2.gz KMSYRUDAPNFOBQ-XIYVOTBMSA-N 2 1 348.531 3.052 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001172125148 1384736321 /nfs/dbraw/zinc/73/63/21/1384736321.db2.gz ORUMSMHFYLSEEG-YUBLJMCLSA-N 3 1 339.527 3.066 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)O5)C[C@H]3C2)cc1 ZINC001172225526 1384751316 /nfs/dbraw/zinc/75/13/16/1384751316.db2.gz VMHXCVFJIVVBPL-OWBSXZKWSA-N 2 1 326.484 3.069 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CC12CC[NH+](CC1CCCCC1)CC2)C1CCC1 ZINC001316998287 1384755633 /nfs/dbraw/zinc/75/56/33/1384755633.db2.gz KRUYCIIBNZAHOM-LJQANCHMSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001172313776 1384768097 /nfs/dbraw/zinc/76/80/97/1384768097.db2.gz AGDSBACKZWSSRD-MSOLQXFVSA-N 2 1 334.504 3.202 20 0 EGADMP CC[C@H](C)OCC[C@H](C)n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001172330392 1384771166 /nfs/dbraw/zinc/77/11/66/1384771166.db2.gz LPCVMSUKUMKEJZ-HOTGVXAUSA-N 2 1 336.524 3.135 20 0 EGADMP CCOCC[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001172426189 1384789581 /nfs/dbraw/zinc/78/95/81/1384789581.db2.gz WFXCZHLNHRTBBF-SFHVURJKSA-N 2 1 331.504 3.185 20 0 EGADMP CC(C)OCC[C@H](C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172447001 1384793683 /nfs/dbraw/zinc/79/36/83/1384793683.db2.gz ORFIQYCTABADNC-IRXDYDNUSA-N 2 1 326.525 3.202 20 0 EGADMP CC(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001317040832 1384813657 /nfs/dbraw/zinc/81/36/57/1384813657.db2.gz AFNHJOYHGKXSQC-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172601797 1384817091 /nfs/dbraw/zinc/81/70/91/1384817091.db2.gz GMRFOUHXQZNKLO-UAFMIMERSA-N 2 1 344.499 3.490 20 0 EGADMP CCCC[C@@H]1C[C@H]([NH2+]C2(C[NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001172632376 1384823475 /nfs/dbraw/zinc/82/34/75/1384823475.db2.gz HRAWONHNADKRPH-HUUCEWRRSA-N 2 1 325.497 3.026 20 0 EGADMP CC(C)(C)CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001317047940 1384824898 /nfs/dbraw/zinc/82/48/98/1384824898.db2.gz LTNQHTIBYROEPE-HDICACEKSA-N 2 1 347.547 3.116 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001172792958 1384853117 /nfs/dbraw/zinc/85/31/17/1384853117.db2.gz VMBHZUSMEXKRPL-QRVBRYPASA-N 2 1 336.520 3.449 20 0 EGADMP C[C@H](CSc1ccc(Cl)cc1)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001172883338 1384872116 /nfs/dbraw/zinc/87/21/16/1384872116.db2.gz RQDPRUUQBYFUDO-OAHLLOKOSA-N 2 1 341.952 3.048 20 0 EGADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001172966233 1384892083 /nfs/dbraw/zinc/89/20/83/1384892083.db2.gz ZWWKLXWBARELPY-MRXNPFEDSA-N 2 1 327.513 3.050 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173075362 1384908363 /nfs/dbraw/zinc/90/83/63/1384908363.db2.gz KOSUPEAMDCSLOS-JKSUJKDBSA-N 2 1 327.513 3.048 20 0 EGADMP CC[NH+](CC)C1CCC([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CC1 ZINC001173106854 1384916052 /nfs/dbraw/zinc/91/60/52/1384916052.db2.gz FXWZOMFANYZPFH-UHFFFAOYSA-N 4 1 340.600 3.115 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)CC1 ZINC001173109294 1384916070 /nfs/dbraw/zinc/91/60/70/1384916070.db2.gz GHWFBGTZWKTFRN-HWMSQKFYSA-N 2 1 341.499 3.307 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCc3ccc(C(=O)OC)cc3C2)CC1 ZINC001173115172 1384917895 /nfs/dbraw/zinc/91/78/95/1384917895.db2.gz XPKBSYJGLWBQPK-UHFFFAOYSA-N 2 1 344.499 3.484 20 0 EGADMP CC[C@H]1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OCc2ccccc2)C1 ZINC001173264219 1384947190 /nfs/dbraw/zinc/94/71/90/1384947190.db2.gz RLPNDEAQYFJSDC-WDSOQIARSA-N 2 1 332.488 3.396 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001317180643 1384956149 /nfs/dbraw/zinc/95/61/49/1384956149.db2.gz LWCJFLXLQKZCBS-FQEVSTJZSA-N 2 1 349.563 3.413 20 0 EGADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001173348196 1384963042 /nfs/dbraw/zinc/96/30/42/1384963042.db2.gz GVKPSHMRSRIUGI-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001173348196 1384963045 /nfs/dbraw/zinc/96/30/45/1384963045.db2.gz GVKPSHMRSRIUGI-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CC[C@H](n2cc(CC[NH3+])c3cc(OC(F)(F)F)ccc32)C1 ZINC001173355215 1384963689 /nfs/dbraw/zinc/96/36/89/1384963689.db2.gz NYCYNFWCKOASIQ-ZDUSSCGKSA-N 2 1 341.377 3.308 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001317201274 1384978360 /nfs/dbraw/zinc/97/83/60/1384978360.db2.gz AQZHRBNMKRADIH-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001317201274 1384978362 /nfs/dbraw/zinc/97/83/62/1384978362.db2.gz AQZHRBNMKRADIH-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC001317201274 1384978366 /nfs/dbraw/zinc/97/83/66/1384978366.db2.gz AQZHRBNMKRADIH-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CCOC(=O)[C@H]1CC12CCC([N@H+]1CCCC[C@@H](CCC[NH3+])C1)CC2 ZINC001173613983 1384988988 /nfs/dbraw/zinc/98/89/88/1384988988.db2.gz MLFMJVFMODQGIJ-SARBKMAYSA-N 2 1 336.520 3.339 20 0 EGADMP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC001317260045 1385029935 /nfs/dbraw/zinc/02/99/35/1385029935.db2.gz ZQWABRTWVWJNTI-SFHVURJKSA-N 2 1 345.531 3.244 20 0 EGADMP C[NH+]1CCN(c2ccc(Nc3ccc4c(c3)C[N@H+](C)CC4)cc2)CC1 ZINC001174817269 1385154564 /nfs/dbraw/zinc/15/45/64/1385154564.db2.gz LYKRUPGMYFMMHW-UHFFFAOYSA-N 2 1 336.483 3.170 20 0 EGADMP C[C@@H]1CCC[C@H](CC[N@@H+](C)CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001317471752 1385166401 /nfs/dbraw/zinc/16/64/01/1385166401.db2.gz OMTSMHIRJXTHKZ-RTBURBONSA-N 2 1 337.552 3.127 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174905243 1385168286 /nfs/dbraw/zinc/16/82/86/1385168286.db2.gz JDOPIGIEHFWZEO-SQNIBIBYSA-N 2 1 325.541 3.027 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175256570 1385231162 /nfs/dbraw/zinc/23/11/62/1385231162.db2.gz MGXJADATCQFVPU-FNYRVFDFSA-N 2 1 337.552 3.482 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]([NH2+]CC1CCC1)c1ccccc1)CC(C)(C)C ZINC001317722886 1385423893 /nfs/dbraw/zinc/42/38/93/1385423893.db2.gz BFISDFNGZIVBBW-LJQANCHMSA-N 2 1 345.531 3.212 20 0 EGADMP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001317770041 1385461379 /nfs/dbraw/zinc/46/13/79/1385461379.db2.gz NPLVNELJHSDYNV-PMACEKPBSA-N 2 1 345.531 3.148 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001176024465 1385464109 /nfs/dbraw/zinc/46/41/09/1385464109.db2.gz ONABHMMVMSZDPC-MRXNPFEDSA-N 2 1 325.541 3.029 20 0 EGADMP CCc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)CC)cc1 ZINC001176023893 1385464243 /nfs/dbraw/zinc/46/42/43/1385464243.db2.gz LIIGIBUWVUSIQU-GOSISDBHSA-N 2 1 347.547 3.355 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001176024900 1385464250 /nfs/dbraw/zinc/46/42/50/1385464250.db2.gz TYMXVPMJMHMVOL-LJQANCHMSA-N 2 1 347.547 3.410 20 0 EGADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001176057711 1385474024 /nfs/dbraw/zinc/47/40/24/1385474024.db2.gz RRTLWNULGOCEGD-FUHWJXTLSA-N 2 1 345.531 3.093 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CC1 ZINC001176111086 1385487021 /nfs/dbraw/zinc/48/70/21/1385487021.db2.gz FUJWSVOLOJPQHF-MJGOQNOKSA-N 2 1 337.552 3.316 20 0 EGADMP C[NH+]1CCC(CC(=O)NCC[C@@H]2CC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001317801878 1385496204 /nfs/dbraw/zinc/49/62/04/1385496204.db2.gz FLDQNOVKFGOHLF-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001176284736 1385538418 /nfs/dbraw/zinc/53/84/18/1385538418.db2.gz JROBPGOOPOJXMU-HOTGVXAUSA-N 2 1 347.494 3.028 20 0 EGADMP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@@H+](CC3CCC(C)(C)CC3)C2)CCC1 ZINC001317972361 1385594230 /nfs/dbraw/zinc/59/42/30/1385594230.db2.gz DVXRAONTPMOOBM-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176565104 1385626026 /nfs/dbraw/zinc/62/60/26/1385626026.db2.gz SKHWUQUYIPOQGJ-MJGOQNOKSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH2+][C@H](C)c1ccccc1 ZINC001176591745 1385634408 /nfs/dbraw/zinc/63/44/08/1385634408.db2.gz OITUHGFOOJXEGZ-DLBZAZTESA-N 2 1 342.487 3.217 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]C/C=C\c1ccccc1 ZINC001176754126 1385684315 /nfs/dbraw/zinc/68/43/15/1385684315.db2.gz RCGIGMIGONVQOJ-LMICACPXSA-N 2 1 345.531 3.305 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCC1=CCCCC1 ZINC001176754700 1385684857 /nfs/dbraw/zinc/68/48/57/1385684857.db2.gz YLCWXLSBNACNCV-GOSISDBHSA-N 2 1 337.552 3.482 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1 ZINC001176759581 1385686797 /nfs/dbraw/zinc/68/67/97/1385686797.db2.gz KSQGICANJSBANN-IEBWSBKVSA-N 2 1 337.552 3.316 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CCC1CCCCC1)c1ccccc1 ZINC001177016689 1385773367 /nfs/dbraw/zinc/77/33/67/1385773367.db2.gz OGJOAVPCWLAUAN-FQEVSTJZSA-N 2 1 345.531 3.356 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC1(C[NH2+]CC2CC(C)C2)CCCC1 ZINC001318665469 1385825426 /nfs/dbraw/zinc/82/54/26/1385825426.db2.gz ZZTSUXAFAITVSR-UHFFFAOYSA-N 2 1 346.519 3.036 20 0 EGADMP COc1ccccc1N1CCC([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001177210156 1385864414 /nfs/dbraw/zinc/86/44/14/1385864414.db2.gz YSEHRJXCHBFHKU-HXUWFJFHSA-N 2 1 345.531 3.374 20 0 EGADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC001177318918 1385912172 /nfs/dbraw/zinc/91/21/72/1385912172.db2.gz KNVWGKZHFKAQME-UHFFFAOYSA-N 2 1 345.512 3.252 20 0 EGADMP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CCC[C@@H]1C ZINC001177415686 1385948968 /nfs/dbraw/zinc/94/89/68/1385948968.db2.gz IGSXIFMRNMBQGD-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001177440145 1385957427 /nfs/dbraw/zinc/95/74/27/1385957427.db2.gz AFFBSYMLVZIBEC-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(CCC[NH2+]C(C)C)CC1CCCC1 ZINC001177467012 1385967284 /nfs/dbraw/zinc/96/72/84/1385967284.db2.gz QJUVWBSVLZQQFK-UHFFFAOYSA-N 2 1 325.541 3.125 20 0 EGADMP OC[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC001177479089 1385972281 /nfs/dbraw/zinc/97/22/81/1385972281.db2.gz DNHXIHBRPHRMDM-NRFANRHFSA-N 2 1 338.495 3.092 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C2(CNC(=O)Cc3cnc[nH]3)CCCC2)c1 ZINC001319377086 1386090759 /nfs/dbraw/zinc/09/07/59/1386090759.db2.gz HVADZTLQCBGIEU-INIZCTEOSA-N 2 1 340.471 3.040 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001319404188 1386106276 /nfs/dbraw/zinc/10/62/76/1386106276.db2.gz BALBFPHLRSQYKY-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178483583 1386231300 /nfs/dbraw/zinc/23/13/00/1386231300.db2.gz FMELDVWFWLPEQP-MOPGFXCFSA-N 2 1 335.536 3.093 20 0 EGADMP Cc1ccccc1C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178517924 1386240380 /nfs/dbraw/zinc/24/03/80/1386240380.db2.gz AFYATTQZEXHEPQ-UYAOXDASSA-N 2 1 345.531 3.101 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CC2CC(C)(C)C2)CC[N@H+]1C ZINC001178521661 1386240953 /nfs/dbraw/zinc/24/09/53/1386240953.db2.gz AWCKMLYKVYEZLU-SJLPKXTDSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CCC2CCCC2)CC[N@H+]1C ZINC001178522213 1386241031 /nfs/dbraw/zinc/24/10/31/1386241031.db2.gz HENLALQYGRKXFK-IEBWSBKVSA-N 2 1 337.552 3.173 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001178527395 1386242114 /nfs/dbraw/zinc/24/21/14/1386242114.db2.gz KTPMQMUTLMGHNX-ZWKOTPCHSA-N 2 1 325.541 3.173 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001178693241 1386279639 /nfs/dbraw/zinc/27/96/39/1386279639.db2.gz MKDRPHUWKJZJNS-LJQANCHMSA-N 2 1 337.552 3.316 20 0 EGADMP CCCC[NH2+]CCCCCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001178693523 1386279663 /nfs/dbraw/zinc/27/96/63/1386279663.db2.gz VGBZSNIZDZXJGH-GOSISDBHSA-N 2 1 325.541 3.316 20 0 EGADMP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707652 1386284738 /nfs/dbraw/zinc/28/47/38/1386284738.db2.gz LIXRDSHPMHVTBF-BJLQDIEVSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001178732788 1386292726 /nfs/dbraw/zinc/29/27/26/1386292726.db2.gz BSQRHQNWJKUQDP-SFHVURJKSA-N 2 1 325.541 3.173 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001178853434 1386329974 /nfs/dbraw/zinc/32/99/74/1386329974.db2.gz JJZACBAZTZIWJS-UHFFFAOYSA-N 2 1 337.552 3.483 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccccc1C ZINC001319866066 1386345036 /nfs/dbraw/zinc/34/50/36/1386345036.db2.gz ZRDAUWQMYAYFSQ-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001179029263 1386382652 /nfs/dbraw/zinc/38/26/52/1386382652.db2.gz FJKXYPJZJNCSKI-UHFFFAOYSA-N 2 1 336.524 3.284 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]CC[C@@H](C)F)C1 ZINC001179358019 1386462378 /nfs/dbraw/zinc/46/23/78/1386462378.db2.gz QPGPBMZALJLTJL-MSOLQXFVSA-N 2 1 343.531 3.123 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001179396137 1386474394 /nfs/dbraw/zinc/47/43/94/1386474394.db2.gz YQLBLZRRGFIBFU-GOSISDBHSA-N 2 1 348.535 3.210 20 0 EGADMP CN(CC[N@@H+](C)CC1CCCCC1)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001320069590 1386490438 /nfs/dbraw/zinc/49/04/38/1386490438.db2.gz ZDOHANKDHMLDNO-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1C ZINC001179719868 1386564522 /nfs/dbraw/zinc/56/45/22/1386564522.db2.gz RBPLSQPJSUFBPY-WMZOPIPTSA-N 2 1 348.535 3.377 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179792553 1386587710 /nfs/dbraw/zinc/58/77/10/1386587710.db2.gz ROFSPHCZAKFDNT-RBUKOAKNSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001180351721 1386771783 /nfs/dbraw/zinc/77/17/83/1386771783.db2.gz IMWJVNZGBUDIKX-HDICACEKSA-N 2 1 325.541 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001180372564 1386777496 /nfs/dbraw/zinc/77/74/96/1386777496.db2.gz BSSHIFVLJUXIII-LJQANCHMSA-N 2 1 337.552 3.317 20 0 EGADMP CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1CC1CC[NH+](CC)CC1 ZINC001181562510 1387016612 /nfs/dbraw/zinc/01/66/12/1387016612.db2.gz BSAFVRGVZRNBDI-SFHVURJKSA-N 2 1 339.524 3.051 20 0 EGADMP CCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001181671013 1387035853 /nfs/dbraw/zinc/03/58/53/1387035853.db2.gz HLEPVCQOYWHBAL-WSTZPKSXSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001182152952 1387113737 /nfs/dbraw/zinc/11/37/37/1387113737.db2.gz UMVZXGQLFAEDBH-ULQDDVLXSA-N 2 1 341.540 3.484 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001182152952 1387113739 /nfs/dbraw/zinc/11/37/39/1387113739.db2.gz UMVZXGQLFAEDBH-ULQDDVLXSA-N 2 1 341.540 3.484 20 0 EGADMP Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)c(C)c1 ZINC001322245641 1387119622 /nfs/dbraw/zinc/11/96/22/1387119622.db2.gz YYVRNCHFNBYKBV-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1ccc(C[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)c(C)c1 ZINC001322245641 1387119624 /nfs/dbraw/zinc/11/96/24/1387119624.db2.gz YYVRNCHFNBYKBV-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1ccc(C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)c(C)c1 ZINC001322245641 1387119627 /nfs/dbraw/zinc/11/96/27/1387119627.db2.gz YYVRNCHFNBYKBV-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc2ccccc2c1)[NH+](C)C ZINC001322248984 1387121268 /nfs/dbraw/zinc/12/12/68/1387121268.db2.gz NGEXCDITPDMLCH-JXFKEZNVSA-N 2 1 341.499 3.117 20 0 EGADMP CCCC[N@H+](CC)[C@H](C(=O)NCCn1cc[nH+]c1C)c1ccccc1 ZINC001182234391 1387128108 /nfs/dbraw/zinc/12/81/08/1387128108.db2.gz IAGQNKUTQOOINY-IBGZPJMESA-N 2 1 342.487 3.171 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)NCCn1cc[nH+]c1C)c1ccccc1 ZINC001182234391 1387128111 /nfs/dbraw/zinc/12/81/11/1387128111.db2.gz IAGQNKUTQOOINY-IBGZPJMESA-N 2 1 342.487 3.171 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC001322393451 1387178462 /nfs/dbraw/zinc/17/84/62/1387178462.db2.gz XJLZVXGRQINJLJ-FCGDIQPGSA-N 2 1 335.536 3.115 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001322393451 1387178467 /nfs/dbraw/zinc/17/84/67/1387178467.db2.gz XJLZVXGRQINJLJ-FCGDIQPGSA-N 2 1 335.536 3.115 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001322393451 1387178469 /nfs/dbraw/zinc/17/84/69/1387178469.db2.gz XJLZVXGRQINJLJ-FCGDIQPGSA-N 2 1 335.536 3.115 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001322394244 1387178588 /nfs/dbraw/zinc/17/85/88/1387178588.db2.gz VODNDYUVYPLZOO-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182590811 1387193025 /nfs/dbraw/zinc/19/30/25/1387193025.db2.gz UFXALOKBCSEHQF-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001329549519 1389152298 /nfs/dbraw/zinc/15/22/98/1389152298.db2.gz JZMRJTIHAMZUFK-MSOLQXFVSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001329549519 1389152302 /nfs/dbraw/zinc/15/23/02/1389152302.db2.gz JZMRJTIHAMZUFK-MSOLQXFVSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001329549519 1389152305 /nfs/dbraw/zinc/15/23/05/1389152305.db2.gz JZMRJTIHAMZUFK-MSOLQXFVSA-N 2 1 347.547 3.470 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC001336778704 1389167332 /nfs/dbraw/zinc/16/73/32/1389167332.db2.gz AGEAHDJSAHHFQQ-RXVVDRJESA-N 2 1 340.511 3.453 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001698718581 1406363098 /nfs/dbraw/zinc/36/30/98/1406363098.db2.gz ZXZUFYFYKIZNQB-ATZDWAIDSA-N 2 1 349.494 3.246 20 0 EGADMP CC[NH+](CC)C1CC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC001330545433 1389451097 /nfs/dbraw/zinc/45/10/97/1389451097.db2.gz VIESAZZWOQXDDG-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cc(O)ccc1F ZINC001332277624 1390074597 /nfs/dbraw/zinc/07/45/97/1390074597.db2.gz NUOYBUVROIRRHZ-OAHLLOKOSA-N 2 1 343.446 3.134 20 0 EGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)cc2)C1 ZINC001340107490 1390227881 /nfs/dbraw/zinc/22/78/81/1390227881.db2.gz YOOWTTJMJMGWEO-MAUKXSAKSA-N 2 1 347.503 3.109 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC001333423483 1390300910 /nfs/dbraw/zinc/30/09/10/1390300910.db2.gz QTRDZDBQYSDRQN-RXVVDRJESA-N 2 1 347.547 3.022 20 0 EGADMP COc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001333423065 1390301164 /nfs/dbraw/zinc/30/11/64/1390301164.db2.gz PJIOOHCAHYWCAQ-HNNXBMFYSA-N 2 1 336.439 3.436 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1Cl ZINC001333747822 1390391212 /nfs/dbraw/zinc/39/12/12/1390391212.db2.gz BIGIXVLFMMFOOT-QGZVFWFLSA-N 2 1 343.858 3.227 20 0 EGADMP O=C(Nc1cccc2c1C[NH2+]C2)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001341621513 1390510999 /nfs/dbraw/zinc/51/09/99/1390510999.db2.gz AVFHNPUYKVRSKW-HXUWFJFHSA-N 2 1 335.451 3.283 20 0 EGADMP CCc1ncc(CN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC001334778580 1390587254 /nfs/dbraw/zinc/58/72/54/1390587254.db2.gz BUKYURBSPYGOQR-IGOJGBNBSA-N 2 1 327.472 3.483 20 0 EGADMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1OC ZINC001335134561 1390647169 /nfs/dbraw/zinc/64/71/69/1390647169.db2.gz TUEHNHSBLWGSJK-OKZBNKHCSA-N 2 1 332.488 3.256 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3OCC(F)F)C[C@@H]2C1 ZINC001343335350 1390707962 /nfs/dbraw/zinc/70/79/62/1390707962.db2.gz XCUXQZCMWHKZIE-BHYGNILZSA-N 2 1 338.442 3.493 20 0 EGADMP C[NH2+][C@H](C)CC[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC001348514725 1391231147 /nfs/dbraw/zinc/23/11/47/1391231147.db2.gz GDIXANIBOWYOEV-MRXNPFEDSA-N 2 1 328.504 3.317 20 0 EGADMP C[NH2+][C@H](C)CC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC001348853152 1391275700 /nfs/dbraw/zinc/27/57/00/1391275700.db2.gz RVOHUNYBJSWQMJ-UHOFOFEASA-N 2 1 341.293 3.257 20 0 EGADMP Cn1nc(CCC[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1-c1ccc(F)cc1 ZINC001350359096 1391452957 /nfs/dbraw/zinc/45/29/57/1391452957.db2.gz PZTTUJKVHDEAIG-INIZCTEOSA-N 2 1 344.478 3.090 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001351975247 1391733263 /nfs/dbraw/zinc/73/32/63/1391733263.db2.gz LCCRHFSMLBVSTD-AYHJJNSGSA-N 2 1 331.504 3.444 20 0 EGADMP C[C@H]([NH2+]CC1CC1)[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001479826884 1392414305 /nfs/dbraw/zinc/41/43/05/1392414305.db2.gz OXPCXYIPKPITFB-FXAWDEMLSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001479908211 1392475571 /nfs/dbraw/zinc/47/55/71/1392475571.db2.gz KAWYDCOFOMCQJS-MOPGFXCFSA-N 2 1 349.494 3.199 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CCCC[NH+]1CCC1CCCC1)C1CCC1 ZINC001480320074 1392679950 /nfs/dbraw/zinc/67/99/50/1392679950.db2.gz UOHYKLUSTAIAAU-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCC1)C1CCC1 ZINC001480320074 1392679951 /nfs/dbraw/zinc/67/99/51/1392679951.db2.gz UOHYKLUSTAIAAU-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCC1)C1CCC1 ZINC001480320074 1392679952 /nfs/dbraw/zinc/67/99/52/1392679952.db2.gz UOHYKLUSTAIAAU-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001480388672 1392734135 /nfs/dbraw/zinc/73/41/35/1392734135.db2.gz ZDSIOTFFCGWSSZ-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001480388672 1392734137 /nfs/dbraw/zinc/73/41/37/1392734137.db2.gz ZDSIOTFFCGWSSZ-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001480388672 1392734140 /nfs/dbraw/zinc/73/41/40/1392734140.db2.gz ZDSIOTFFCGWSSZ-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001480388672 1392734143 /nfs/dbraw/zinc/73/41/43/1392734143.db2.gz ZDSIOTFFCGWSSZ-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H]([N@@H+](C)C/C=C/Cl)C2)c1 ZINC001480742453 1392908946 /nfs/dbraw/zinc/90/89/46/1392908946.db2.gz LKTYQEJWPHPUKW-WGLAMXGCSA-N 2 1 349.906 3.037 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001480920481 1393020623 /nfs/dbraw/zinc/02/06/23/1393020623.db2.gz QXAFPLZWAPUZMQ-UYAOXDASSA-N 2 1 345.531 3.450 20 0 EGADMP CC(C)(C)CCC[N@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001481127194 1393127099 /nfs/dbraw/zinc/12/70/99/1393127099.db2.gz QETAYQKUZWHCTQ-SFHVURJKSA-N 2 1 337.552 3.127 20 0 EGADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001481215173 1393150304 /nfs/dbraw/zinc/15/03/04/1393150304.db2.gz GJQWLMHJVLNKIR-OXQOHEQNSA-N 2 1 339.483 3.043 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001698941943 1406681721 /nfs/dbraw/zinc/68/17/21/1406681721.db2.gz YTVXLJRDLKTHDG-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001481391481 1394233293 /nfs/dbraw/zinc/23/32/93/1394233293.db2.gz VOEDUQGUZMLGCQ-BGYRXZFFSA-N 2 1 347.547 3.118 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N[C@H]1CCC[NH+](CCC2CC2)C1)c1ccccc1 ZINC001481538721 1394400061 /nfs/dbraw/zinc/40/00/61/1394400061.db2.gz HPZVPJWAHCEJEV-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CCC[NH+](CCC2CC2)C1)c1ccccc1 ZINC001481538721 1394400064 /nfs/dbraw/zinc/40/00/64/1394400064.db2.gz HPZVPJWAHCEJEV-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@H+](CCC2CC2)C1)c1ccccc1 ZINC001481538721 1394400068 /nfs/dbraw/zinc/40/00/68/1394400068.db2.gz HPZVPJWAHCEJEV-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)C1)c1ccccc1 ZINC001481538721 1394400072 /nfs/dbraw/zinc/40/00/72/1394400072.db2.gz HPZVPJWAHCEJEV-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001481702655 1394460766 /nfs/dbraw/zinc/46/07/66/1394460766.db2.gz ALRVXOAVNUNFTQ-LSDHHAIUSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001481702655 1394460767 /nfs/dbraw/zinc/46/07/67/1394460767.db2.gz ALRVXOAVNUNFTQ-LSDHHAIUSA-N 2 1 349.906 3.076 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1)c1ccccc1 ZINC001491181085 1394461388 /nfs/dbraw/zinc/46/13/88/1394461388.db2.gz ZGBWZTBYAMPDLF-AZUAARDMSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001481779643 1394525140 /nfs/dbraw/zinc/52/51/40/1394525140.db2.gz VGTWNOCPFARNHL-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001481985133 1394646930 /nfs/dbraw/zinc/64/69/30/1394646930.db2.gz QBIRQAJLBXVESK-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC(CC[NH2+]C(C)C)CC1)c1ccccc1 ZINC001482007691 1394667304 /nfs/dbraw/zinc/66/73/04/1394667304.db2.gz OBDKZIKHJNVNIQ-FQEVSTJZSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CC(CC)CC)C[C@H]21 ZINC001484473194 1395407634 /nfs/dbraw/zinc/40/76/34/1395407634.db2.gz ZBSIBGVCNXBHRQ-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CC(CC)CC)C[C@H]21 ZINC001484473194 1395407639 /nfs/dbraw/zinc/40/76/39/1395407639.db2.gz ZBSIBGVCNXBHRQ-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]2C[N@@H+](CC(CC)CC)C[C@H]21 ZINC001484473194 1395407643 /nfs/dbraw/zinc/40/76/43/1395407643.db2.gz ZBSIBGVCNXBHRQ-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001484562376 1395448257 /nfs/dbraw/zinc/44/82/57/1395448257.db2.gz YMTPJQWKJVNBPR-INIZCTEOSA-N 2 1 333.520 3.340 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001484757106 1395508149 /nfs/dbraw/zinc/50/81/49/1395508149.db2.gz JHLDNGJVGSJDTJ-GOSISDBHSA-N 2 1 345.531 3.178 20 0 EGADMP CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(Cl)s1)[NH+](C)C ZINC001484765869 1395519575 /nfs/dbraw/zinc/51/95/75/1395519575.db2.gz VNDXZUKXTJCVBU-CQSZACIVSA-N 2 1 345.940 3.022 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)c1 ZINC001484977058 1395616901 /nfs/dbraw/zinc/61/69/01/1395616901.db2.gz PNRMMYWQSQUUAV-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C)[C@@H](C)C1 ZINC001484985246 1395628539 /nfs/dbraw/zinc/62/85/39/1395628539.db2.gz DOCCKPDCDUBGAL-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C)[C@@H](C)C1 ZINC001484985246 1395628540 /nfs/dbraw/zinc/62/85/40/1395628540.db2.gz DOCCKPDCDUBGAL-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C)[C@@H](C)C1 ZINC001484985246 1395628545 /nfs/dbraw/zinc/62/85/45/1395628545.db2.gz DOCCKPDCDUBGAL-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1C[N@@H+](CCC2=CCCCC2)CC1(C)C)[NH+](C)C ZINC001485582617 1396059215 /nfs/dbraw/zinc/05/92/15/1396059215.db2.gz RYQRKZUZSKRTOE-OALUTQOASA-N 2 1 349.563 3.290 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001493240646 1396338577 /nfs/dbraw/zinc/33/85/77/1396338577.db2.gz SPEYTPSUYYUZPS-QZTJIDSGSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001493240646 1396338578 /nfs/dbraw/zinc/33/85/78/1396338578.db2.gz SPEYTPSUYYUZPS-QZTJIDSGSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001493240646 1396338579 /nfs/dbraw/zinc/33/85/79/1396338579.db2.gz SPEYTPSUYYUZPS-QZTJIDSGSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001494170122 1396393841 /nfs/dbraw/zinc/39/38/41/1396393841.db2.gz AFBCOBKMTBEUDP-DLBZAZTESA-N 2 1 349.494 3.009 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001494170122 1396393843 /nfs/dbraw/zinc/39/38/43/1396393843.db2.gz AFBCOBKMTBEUDP-DLBZAZTESA-N 2 1 349.494 3.009 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001494170122 1396393848 /nfs/dbraw/zinc/39/38/48/1396393848.db2.gz AFBCOBKMTBEUDP-DLBZAZTESA-N 2 1 349.494 3.009 20 0 EGADMP C[C@H](CC[NH2+][C@@H](C)c1ccccc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001497268319 1396740788 /nfs/dbraw/zinc/74/07/88/1396740788.db2.gz LKZGGISLQTYGPK-SJORKVTESA-N 2 1 333.520 3.210 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001497323711 1396747855 /nfs/dbraw/zinc/74/78/55/1396747855.db2.gz QCYUHKSWDXKKSA-UONOGXRCSA-N 2 1 348.878 3.091 20 0 EGADMP C[C@H](C[N@@H+](C)Cc1cccc2ccccc21)NC(=O)CCC[NH+](C)C ZINC001498368523 1396977549 /nfs/dbraw/zinc/97/75/49/1396977549.db2.gz DKXDXBIGVTYCPJ-QGZVFWFLSA-N 2 1 341.499 3.118 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001690295036 1404455583 /nfs/dbraw/zinc/45/55/83/1404455583.db2.gz IHDKXNOHCLJKIJ-VDGAXYAQSA-N 2 1 345.531 3.450 20 0 EGADMP C[C@H](c1ccccc1F)[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001690819066 1404754892 /nfs/dbraw/zinc/75/48/92/1404754892.db2.gz SXJWXIBNSUGBPZ-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)Cc1c(C)cc(C)cc1C ZINC001691000566 1404917686 /nfs/dbraw/zinc/91/76/86/1404917686.db2.gz LEGFPGIYUCHJDJ-HXUWFJFHSA-N 2 1 345.531 3.034 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)Cc1c(C)cc(C)cc1C ZINC001691000566 1404917690 /nfs/dbraw/zinc/91/76/90/1404917690.db2.gz LEGFPGIYUCHJDJ-HXUWFJFHSA-N 2 1 345.531 3.034 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1c(C)cc(C)cc1C ZINC001691000566 1404917695 /nfs/dbraw/zinc/91/76/95/1404917695.db2.gz LEGFPGIYUCHJDJ-HXUWFJFHSA-N 2 1 345.531 3.034 20 0 EGADMP CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@H](C)c1cccc(C)c1 ZINC001698602767 1406228939 /nfs/dbraw/zinc/22/89/39/1406228939.db2.gz OZFBBADUDJPRHM-SJLPKXTDSA-N 2 1 331.504 3.025 20 0 EGADMP CC(C)C[NH2+][C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1 ZINC001732021672 1428238944 /nfs/dbraw/zinc/23/89/44/1428238944.db2.gz JPOCGHNSPRXLOB-GOSISDBHSA-N 2 1 333.520 3.067 20 0 EGADMP C[N@@H+](CCCC1CCCC1)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001732082582 1428338566 /nfs/dbraw/zinc/33/85/66/1428338566.db2.gz QMSFNBFIECZHNW-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C)cc1C ZINC001732213787 1428461862 /nfs/dbraw/zinc/46/18/62/1428461862.db2.gz IOOUHFNFNHDEOI-LJQANCHMSA-N 2 1 347.547 3.266 20 0 EGADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C[NH2+][C@@H](C)c1ccccc1 ZINC001732362522 1428548889 /nfs/dbraw/zinc/54/88/89/1428548889.db2.gz XHSVETMGLACSHA-SJORKVTESA-N 2 1 333.520 3.067 20 0 EGADMP Cc1ccccc1C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001732365220 1428549623 /nfs/dbraw/zinc/54/96/23/1428549623.db2.gz KBIXHEBRILFPHU-FXAWDEMLSA-N 2 1 345.531 3.100 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001699190831 1412563228 /nfs/dbraw/zinc/56/32/28/1412563228.db2.gz WPBPHMLRTKBMLI-AZUAARDMSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001699606811 1412970701 /nfs/dbraw/zinc/97/07/01/1412970701.db2.gz OSVPXUIBFFCNHF-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001699828168 1413256118 /nfs/dbraw/zinc/25/61/18/1413256118.db2.gz YWJZBKWGILNAEI-OXQOHEQNSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001699828168 1413256121 /nfs/dbraw/zinc/25/61/21/1413256121.db2.gz YWJZBKWGILNAEI-OXQOHEQNSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001699828168 1413256123 /nfs/dbraw/zinc/25/61/23/1413256123.db2.gz YWJZBKWGILNAEI-OXQOHEQNSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001699862417 1413297673 /nfs/dbraw/zinc/29/76/73/1413297673.db2.gz VKFXIXOYHIODSC-GOSISDBHSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@@H+](CCCC(C)(C)C)CC2)CC1 ZINC001700178053 1413588320 /nfs/dbraw/zinc/58/83/20/1413588320.db2.gz VFECIVZHBLFTNC-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)cc2C1 ZINC001700252147 1413697946 /nfs/dbraw/zinc/69/79/46/1413697946.db2.gz AOAPJDAVNUPPEH-QGZVFWFLSA-N 2 1 343.515 3.293 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001700324280 1413793110 /nfs/dbraw/zinc/79/31/10/1413793110.db2.gz IVBWJQIBEGIWCC-ICSRJNTNSA-N 2 1 345.531 3.162 20 0 EGADMP C[N@@H+](CCC1CCCC1)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001700359972 1413870960 /nfs/dbraw/zinc/87/09/60/1413870960.db2.gz YSNRHIMNVOIBHO-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)[C@H](C)c1ccc(F)cc1 ZINC001700365011 1413886693 /nfs/dbraw/zinc/88/66/93/1413886693.db2.gz SZZVSNNNDHLMLY-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001700365011 1413886698 /nfs/dbraw/zinc/88/66/98/1413886698.db2.gz SZZVSNNNDHLMLY-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001700365011 1413886703 /nfs/dbraw/zinc/88/67/03/1413886703.db2.gz SZZVSNNNDHLMLY-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001700439878 1414011556 /nfs/dbraw/zinc/01/15/56/1414011556.db2.gz FBKOHHYWHCJFSE-KZNAEPCWSA-N 2 1 339.568 3.083 20 0 EGADMP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)CCC1CCCCCC1 ZINC001700459825 1414055819 /nfs/dbraw/zinc/05/58/19/1414055819.db2.gz FQWFAPZOQFOUKY-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]2CCC[NH+]2C)cc1 ZINC001732577403 1428778215 /nfs/dbraw/zinc/77/82/15/1428778215.db2.gz YYNLQDPCPGRAGT-FXAWDEMLSA-N 2 1 345.531 3.355 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+](C)CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001732577403 1428778218 /nfs/dbraw/zinc/77/82/18/1428778218.db2.gz YYNLQDPCPGRAGT-FXAWDEMLSA-N 2 1 345.531 3.355 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+](C)CCN(C)C(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001732577403 1428778226 /nfs/dbraw/zinc/77/82/26/1428778226.db2.gz YYNLQDPCPGRAGT-FXAWDEMLSA-N 2 1 345.531 3.355 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCCC[NH+]1Cc1cccc(F)c1 ZINC001700530878 1414196999 /nfs/dbraw/zinc/19/69/99/1414196999.db2.gz HLIPDKJQWOVPOQ-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1cccc(F)c1 ZINC001700530878 1414197001 /nfs/dbraw/zinc/19/70/01/1414197001.db2.gz HLIPDKJQWOVPOQ-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCCC[N@H+]1Cc1cccc(F)c1 ZINC001700530878 1414197003 /nfs/dbraw/zinc/19/70/03/1414197003.db2.gz HLIPDKJQWOVPOQ-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1ccc(C)cc1C ZINC001732582476 1428789931 /nfs/dbraw/zinc/78/99/31/1428789931.db2.gz OKIQBYJDJQUGAW-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(C)cc1C ZINC001732582476 1428789934 /nfs/dbraw/zinc/78/99/34/1428789934.db2.gz OKIQBYJDJQUGAW-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C)cc1C ZINC001732582476 1428789939 /nfs/dbraw/zinc/78/99/39/1428789939.db2.gz OKIQBYJDJQUGAW-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCCc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C[N@H+](C)CCC)C2)cc1 ZINC001700851675 1414499449 /nfs/dbraw/zinc/49/94/49/1414499449.db2.gz NSVHWWBLJGTOBV-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCCc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C[N@H+](C)CCC)C2)cc1 ZINC001700851674 1414499627 /nfs/dbraw/zinc/49/96/27/1414499627.db2.gz NSVHWWBLJGTOBV-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCCc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C[N@H+](C)CCC)C2)cc1 ZINC001700851673 1414499834 /nfs/dbraw/zinc/49/98/34/1414499834.db2.gz NSVHWWBLJGTOBV-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1ccccc1C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001732774464 1428961972 /nfs/dbraw/zinc/96/19/72/1428961972.db2.gz DSZBRRUDFPUBFQ-QUCCMNQESA-N 2 1 345.531 3.367 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1ccc(Cl)cc1)C(=O)Cn1cc[nH+]c1C ZINC001732810130 1428988001 /nfs/dbraw/zinc/98/80/01/1428988001.db2.gz GNRAKWBXZCPJAE-CQSZACIVSA-N 2 1 348.878 3.044 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001733044293 1429175660 /nfs/dbraw/zinc/17/56/60/1429175660.db2.gz GTNHVIDXGYTONJ-VQIMIIECSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001733044293 1429175663 /nfs/dbraw/zinc/17/56/63/1429175663.db2.gz GTNHVIDXGYTONJ-VQIMIIECSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001733044293 1429175664 /nfs/dbraw/zinc/17/56/64/1429175664.db2.gz GTNHVIDXGYTONJ-VQIMIIECSA-N 2 1 331.504 3.059 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC001713057211 1417611454 /nfs/dbraw/zinc/61/14/54/1417611454.db2.gz FZIXIIGVKORCKE-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CC[NH+](CC(C)C)CC1 ZINC001713100793 1417652957 /nfs/dbraw/zinc/65/29/57/1417652957.db2.gz HPNDJDQLMRMYCG-UHFFFAOYSA-N 2 1 339.568 3.323 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001713222155 1417807938 /nfs/dbraw/zinc/80/79/38/1417807938.db2.gz XRVSPFHWHTVGCE-IBGZPJMESA-N 2 1 345.531 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001713222155 1417807941 /nfs/dbraw/zinc/80/79/41/1417807941.db2.gz XRVSPFHWHTVGCE-IBGZPJMESA-N 2 1 345.531 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC001713222155 1417807946 /nfs/dbraw/zinc/80/79/46/1417807946.db2.gz XRVSPFHWHTVGCE-IBGZPJMESA-N 2 1 345.531 3.055 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CCCC[NH+]1CCCC(C)(C)C)C1CCC1 ZINC001713253072 1417846964 /nfs/dbraw/zinc/84/69/64/1417846964.db2.gz MCGCPPZHWBYFCZ-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC(C)(C)C)C1CCC1 ZINC001713253072 1417846968 /nfs/dbraw/zinc/84/69/68/1417846968.db2.gz MCGCPPZHWBYFCZ-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCC[N@H+]1CCCC(C)(C)C)C1CCC1 ZINC001713253072 1417846973 /nfs/dbraw/zinc/84/69/73/1417846973.db2.gz MCGCPPZHWBYFCZ-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1CCC(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001713287719 1417914677 /nfs/dbraw/zinc/91/46/77/1417914677.db2.gz PGZHEKMBGGROQU-AOCRQIFASA-N 2 1 337.552 3.170 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](CC)c1ccccc1 ZINC001713454185 1418103889 /nfs/dbraw/zinc/10/38/89/1418103889.db2.gz CYQGFFAYSAONCH-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](CC)c1ccccc1 ZINC001713454185 1418103895 /nfs/dbraw/zinc/10/38/95/1418103895.db2.gz CYQGFFAYSAONCH-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](CC)c1ccccc1 ZINC001713454185 1418103898 /nfs/dbraw/zinc/10/38/98/1418103898.db2.gz CYQGFFAYSAONCH-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC001713477360 1418159747 /nfs/dbraw/zinc/15/97/47/1418159747.db2.gz MOLHTNFLDRTTIY-UHFFFAOYSA-N 2 1 348.535 3.092 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC001713477360 1418159752 /nfs/dbraw/zinc/15/97/52/1418159752.db2.gz MOLHTNFLDRTTIY-UHFFFAOYSA-N 2 1 348.535 3.092 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+](CC)Cc2ccccc2C)C1 ZINC001713490381 1418188748 /nfs/dbraw/zinc/18/87/48/1418188748.db2.gz DOWZXMVMRMNSHJ-FQEVSTJZSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@H+](CC)Cc2ccccc2C)C1 ZINC001713490381 1418188753 /nfs/dbraw/zinc/18/87/53/1418188753.db2.gz DOWZXMVMRMNSHJ-FQEVSTJZSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@@H+](CC)Cc2ccccc2C)C1 ZINC001713490381 1418188756 /nfs/dbraw/zinc/18/87/56/1418188756.db2.gz DOWZXMVMRMNSHJ-FQEVSTJZSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+](CC)[C@H](C)c2ccccc2)C1 ZINC001713490410 1418189172 /nfs/dbraw/zinc/18/91/72/1418189172.db2.gz FDEYPBHLHJFILI-UYAOXDASSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@H+](CC)[C@H](C)c2ccccc2)C1 ZINC001713490410 1418189177 /nfs/dbraw/zinc/18/91/77/1418189177.db2.gz FDEYPBHLHJFILI-UYAOXDASSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@@H+](CC)[C@H](C)c2ccccc2)C1 ZINC001713490410 1418189180 /nfs/dbraw/zinc/18/91/80/1418189180.db2.gz FDEYPBHLHJFILI-UYAOXDASSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001713737839 1418535025 /nfs/dbraw/zinc/53/50/25/1418535025.db2.gz NSQXDSJYBWXCQA-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001713737839 1418535027 /nfs/dbraw/zinc/53/50/27/1418535027.db2.gz NSQXDSJYBWXCQA-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001713737839 1418535031 /nfs/dbraw/zinc/53/50/31/1418535031.db2.gz NSQXDSJYBWXCQA-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001713757752 1418562178 /nfs/dbraw/zinc/56/21/78/1418562178.db2.gz LJIJXIDEHPNDDP-DLBZAZTESA-N 2 1 349.494 3.009 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001713757752 1418562179 /nfs/dbraw/zinc/56/21/79/1418562179.db2.gz LJIJXIDEHPNDDP-DLBZAZTESA-N 2 1 349.494 3.009 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001713757752 1418562181 /nfs/dbraw/zinc/56/21/81/1418562181.db2.gz LJIJXIDEHPNDDP-DLBZAZTESA-N 2 1 349.494 3.009 20 0 EGADMP CCCc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001713791743 1418609229 /nfs/dbraw/zinc/60/92/29/1418609229.db2.gz UALHPMCUKPJMKH-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC12CC[NH+](CCCC1CCCC1)CC2 ZINC001713849745 1418645830 /nfs/dbraw/zinc/64/58/30/1418645830.db2.gz KPRAZEHOBKRHGU-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1 ZINC001714140030 1418942509 /nfs/dbraw/zinc/94/25/09/1418942509.db2.gz RZYUJRKHVWRGNE-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(CC)cc2)CC1 ZINC001714313309 1419093942 /nfs/dbraw/zinc/09/39/42/1419093942.db2.gz GYVLAAHYVLRSGJ-MXVIHJGJSA-N 2 1 345.531 3.108 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001714447000 1419178798 /nfs/dbraw/zinc/17/87/98/1419178798.db2.gz XUIYUUQBFMAMNX-RBUKOAKNSA-N 2 1 345.531 3.321 20 0 EGADMP CCc1ccc(C[N@@H+](CC)CCNC(=O)[C@H]2CCC[NH+]2C(C)C)cc1 ZINC001714587887 1419332454 /nfs/dbraw/zinc/33/24/54/1419332454.db2.gz ZHEHMONPVUAJNV-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[NH+](CC)CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001714587887 1419332458 /nfs/dbraw/zinc/33/24/58/1419332458.db2.gz ZHEHMONPVUAJNV-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[NH+](CC)CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001714587887 1419332463 /nfs/dbraw/zinc/33/24/63/1419332463.db2.gz ZHEHMONPVUAJNV-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[N@@H+](C)C[C@H](C)CC(C)C)CC1 ZINC001714914096 1419662692 /nfs/dbraw/zinc/66/26/92/1419662692.db2.gz RVJHADHLLUTFEQ-QGZVFWFLSA-N 2 1 348.535 3.044 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC(C[N@H+](C)C[C@H](C)CC(C)C)CC1 ZINC001714914096 1419662694 /nfs/dbraw/zinc/66/26/94/1419662694.db2.gz RVJHADHLLUTFEQ-QGZVFWFLSA-N 2 1 348.535 3.044 20 0 EGADMP CC[N@H+](C)CCC(=O)NC1C[NH+]([C@H](C)c2cccc3ccccc32)C1 ZINC001714951401 1419692433 /nfs/dbraw/zinc/69/24/33/1419692433.db2.gz YYXBNSNJKROVDO-MRXNPFEDSA-N 2 1 339.483 3.043 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1C[NH+]([C@H](C)c2cccc3ccccc32)C1 ZINC001714951401 1419692436 /nfs/dbraw/zinc/69/24/36/1419692436.db2.gz YYXBNSNJKROVDO-MRXNPFEDSA-N 2 1 339.483 3.043 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@@H](C)C1 ZINC001715098250 1419838587 /nfs/dbraw/zinc/83/85/87/1419838587.db2.gz LJPNTMZAAVNBAP-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCCC(C)(C)C)C2)CC1 ZINC001715542184 1420240318 /nfs/dbraw/zinc/24/03/18/1420240318.db2.gz DLCJVKDWXITNDB-ZWKOTPCHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715959157 1420425720 /nfs/dbraw/zinc/42/57/20/1420425720.db2.gz UXWRGKHFJJZEGG-OALUTQOASA-N 2 1 339.568 3.323 20 0 EGADMP C[C@@H](c1ccccc1F)[N@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001715959848 1420426442 /nfs/dbraw/zinc/42/64/42/1420426442.db2.gz YHVSKVSMAUOMMW-INIZCTEOSA-N 2 1 349.494 3.009 20 0 EGADMP C[C@@H](c1ccccc1F)[N@@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001715959848 1420426445 /nfs/dbraw/zinc/42/64/45/1420426445.db2.gz YHVSKVSMAUOMMW-INIZCTEOSA-N 2 1 349.494 3.009 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001716500826 1420727150 /nfs/dbraw/zinc/72/71/50/1420727150.db2.gz KYJWLVXBLICHMK-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001716500826 1420727152 /nfs/dbraw/zinc/72/71/52/1420727152.db2.gz KYJWLVXBLICHMK-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001716500826 1420727154 /nfs/dbraw/zinc/72/71/54/1420727154.db2.gz KYJWLVXBLICHMK-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1ccc2ccccc2c1 ZINC001716503357 1420732924 /nfs/dbraw/zinc/73/29/24/1420732924.db2.gz NEKKALDJJROSQL-QGZVFWFLSA-N 2 1 341.499 3.118 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC001716503357 1420732925 /nfs/dbraw/zinc/73/29/25/1420732925.db2.gz NEKKALDJJROSQL-QGZVFWFLSA-N 2 1 341.499 3.118 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC001716503357 1420732927 /nfs/dbraw/zinc/73/29/27/1420732927.db2.gz NEKKALDJJROSQL-QGZVFWFLSA-N 2 1 341.499 3.118 20 0 EGADMP C[C@H](C[N@@H+](C)CCC1CCCCCC1)NC(=O)CCc1cncn1C ZINC001716503769 1420733465 /nfs/dbraw/zinc/73/34/65/1420733465.db2.gz XAKZUELYCSUCFR-QGZVFWFLSA-N 2 1 348.535 3.150 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+](C(C)C)C1 ZINC001717217241 1421195684 /nfs/dbraw/zinc/19/56/84/1421195684.db2.gz PJNBUNZLLUFJII-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001717217241 1421195686 /nfs/dbraw/zinc/19/56/86/1421195686.db2.gz PJNBUNZLLUFJII-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001717217241 1421195689 /nfs/dbraw/zinc/19/56/89/1421195689.db2.gz PJNBUNZLLUFJII-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C)cc2)[C@H](C)C1 ZINC001717334913 1421271322 /nfs/dbraw/zinc/27/13/22/1421271322.db2.gz BINUVSXPGTVUCB-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)[C@H](C)C1 ZINC001717334913 1421271324 /nfs/dbraw/zinc/27/13/24/1421271324.db2.gz BINUVSXPGTVUCB-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)[C@H](C)C1 ZINC001717334913 1421271326 /nfs/dbraw/zinc/27/13/26/1421271326.db2.gz BINUVSXPGTVUCB-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001717338279 1421275817 /nfs/dbraw/zinc/27/58/17/1421275817.db2.gz SFVSVFFJNRDDTR-APWZRJJASA-N 2 1 348.535 3.377 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001717338279 1421275820 /nfs/dbraw/zinc/27/58/20/1421275820.db2.gz SFVSVFFJNRDDTR-APWZRJJASA-N 2 1 348.535 3.377 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001717370182 1421307783 /nfs/dbraw/zinc/30/77/83/1421307783.db2.gz CQMZSQWJLAIZPJ-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CN(C(=O)C[N@@H+](C)C1CCC1)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC001717448184 1421377718 /nfs/dbraw/zinc/37/77/18/1421377718.db2.gz ZPXRULZLQZYURJ-UHFFFAOYSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)[C@H]1C ZINC001717801967 1421629878 /nfs/dbraw/zinc/62/98/78/1421629878.db2.gz JPJUKMMAOJCVTF-YGQKLEOUSA-N 2 1 343.515 3.011 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@H+]1CCCC(C)(C)C ZINC001717855158 1421666943 /nfs/dbraw/zinc/66/69/43/1421666943.db2.gz CTVMJBURFYHYMS-SJORKVTESA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C[C@@H]1C ZINC001733336376 1429521535 /nfs/dbraw/zinc/52/15/35/1429521535.db2.gz TYCFQPBWXJSEEO-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@](C)(NC(=O)CCC[NH+]3CCCC3)C2)cs1 ZINC001733415920 1429619765 /nfs/dbraw/zinc/61/97/65/1429619765.db2.gz IIDIBBJRZMLXJM-IBGZPJMESA-N 2 1 349.544 3.013 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NCC2(C)CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001733453701 1429667532 /nfs/dbraw/zinc/66/75/32/1429667532.db2.gz RPKDRZVUUYYLPW-LJQANCHMSA-N 2 1 349.563 3.127 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001723457032 1424417185 /nfs/dbraw/zinc/41/71/85/1424417185.db2.gz FTQAFMFVLFYIIZ-QAPCUYQASA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001723457032 1424417187 /nfs/dbraw/zinc/41/71/87/1424417187.db2.gz FTQAFMFVLFYIIZ-QAPCUYQASA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001723457032 1424417192 /nfs/dbraw/zinc/41/71/92/1424417192.db2.gz FTQAFMFVLFYIIZ-QAPCUYQASA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](c1cccc(F)c1)[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001723457032 1424417195 /nfs/dbraw/zinc/41/71/95/1424417195.db2.gz FTQAFMFVLFYIIZ-QAPCUYQASA-N 2 1 349.494 3.055 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCCCC2)CC1 ZINC001723529235 1424453130 /nfs/dbraw/zinc/45/31/30/1424453130.db2.gz HYZDSPRGQMMGLR-SFHVURJKSA-N 2 1 335.536 3.070 20 0 EGADMP CCCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001723649537 1424514243 /nfs/dbraw/zinc/51/42/43/1424514243.db2.gz PVWUQDJWMIPRQP-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001723649537 1424514248 /nfs/dbraw/zinc/51/42/48/1424514248.db2.gz PVWUQDJWMIPRQP-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001723649537 1424514250 /nfs/dbraw/zinc/51/42/50/1424514250.db2.gz PVWUQDJWMIPRQP-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001725056209 1425492786 /nfs/dbraw/zinc/49/27/86/1425492786.db2.gz RYPRFXRBMXWFFX-RTBURBONSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001725056209 1425492787 /nfs/dbraw/zinc/49/27/87/1425492787.db2.gz RYPRFXRBMXWFFX-RTBURBONSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001725056209 1425492788 /nfs/dbraw/zinc/49/27/88/1425492788.db2.gz RYPRFXRBMXWFFX-RTBURBONSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1F ZINC001725139125 1425615755 /nfs/dbraw/zinc/61/57/55/1425615755.db2.gz CVTJPFAGNVASMO-QAPCUYQASA-N 2 1 349.494 3.055 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)CC(C)(C)C[NH2+][C@H](C)c1ccccc1 ZINC001725146245 1425628002 /nfs/dbraw/zinc/62/80/02/1425628002.db2.gz GEBSHLBKZCJCFI-MRXNPFEDSA-N 2 1 342.487 3.027 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C[NH2+]Cc1csc(C)c1)C(C)(C)C ZINC001725754145 1426433808 /nfs/dbraw/zinc/43/38/08/1426433808.db2.gz HHSRUNNFLWRSDG-MRXNPFEDSA-N 2 1 339.549 3.019 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CCC[NH+](CCCC2CCCC2)C1)C1CCC1 ZINC001731500928 1427481017 /nfs/dbraw/zinc/48/10/17/1427481017.db2.gz FNFIEHGZPKAJDT-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCC[N@H+](CCCC2CCCC2)C1)C1CCC1 ZINC001731500928 1427481020 /nfs/dbraw/zinc/48/10/20/1427481020.db2.gz FNFIEHGZPKAJDT-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCC[N@@H+](CCCC2CCCC2)C1)C1CCC1 ZINC001731500928 1427481022 /nfs/dbraw/zinc/48/10/22/1427481022.db2.gz FNFIEHGZPKAJDT-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)[C@H](C)c1ccc(F)cc1 ZINC001731813517 1428001990 /nfs/dbraw/zinc/00/19/90/1428001990.db2.gz WWSILITZZCKWJT-QGZVFWFLSA-N 2 1 349.494 3.057 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001731832963 1428044215 /nfs/dbraw/zinc/04/42/15/1428044215.db2.gz DYFPFYSCFPTXPL-IEBWSBKVSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001731832963 1428044218 /nfs/dbraw/zinc/04/42/18/1428044218.db2.gz DYFPFYSCFPTXPL-IEBWSBKVSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001731832963 1428044222 /nfs/dbraw/zinc/04/42/22/1428044222.db2.gz DYFPFYSCFPTXPL-IEBWSBKVSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001731832966 1428044463 /nfs/dbraw/zinc/04/44/63/1428044463.db2.gz DYFPFYSCFPTXPL-MJGOQNOKSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001731832966 1428044471 /nfs/dbraw/zinc/04/44/71/1428044471.db2.gz DYFPFYSCFPTXPL-MJGOQNOKSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001731832966 1428044472 /nfs/dbraw/zinc/04/44/72/1428044472.db2.gz DYFPFYSCFPTXPL-MJGOQNOKSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1ccccc1C ZINC001731864074 1428108151 /nfs/dbraw/zinc/10/81/51/1428108151.db2.gz DQZROCGHSVKDHA-HXUWFJFHSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)Cc1ccccc1C ZINC001731864074 1428108153 /nfs/dbraw/zinc/10/81/53/1428108153.db2.gz DQZROCGHSVKDHA-HXUWFJFHSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)Cc1ccccc1C ZINC001731864074 1428108157 /nfs/dbraw/zinc/10/81/57/1428108157.db2.gz DQZROCGHSVKDHA-HXUWFJFHSA-N 2 1 345.531 3.196 20 0 EGADMP CC(C)C[N@H+]1Cc2ccc(CNC(=O)CCC[NH+]3CCCC3)cc2C1 ZINC001733835834 1430107739 /nfs/dbraw/zinc/10/77/39/1430107739.db2.gz KZZHSAYWRRHWOI-UHFFFAOYSA-N 2 1 343.515 3.150 20 0 EGADMP CC1(C)C[N@@H+](CC2CCC2)CC[C@@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001733880125 1437707072 /nfs/dbraw/zinc/70/70/72/1437707072.db2.gz XHPABKYLKADLAZ-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1CCC1CCCC1 ZINC001733899306 1437716992 /nfs/dbraw/zinc/71/69/92/1437716992.db2.gz GWPBSJSPQCOOMD-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCC(C)(C)C)[C@H](C)C1 ZINC001733901018 1437718853 /nfs/dbraw/zinc/71/88/53/1437718853.db2.gz MJMUFUVGESPTDL-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)[C@H](C)C1 ZINC001733901018 1437718856 /nfs/dbraw/zinc/71/88/56/1437718856.db2.gz MJMUFUVGESPTDL-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCCC(C)(C)C)[C@H](C)C1 ZINC001733901018 1437718859 /nfs/dbraw/zinc/71/88/59/1437718859.db2.gz MJMUFUVGESPTDL-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CCCC(C)(C)C ZINC001733902576 1437720592 /nfs/dbraw/zinc/72/05/92/1437720592.db2.gz VOZZRLPZAZUEKY-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C(C)C)C1 ZINC001734128692 1437906703 /nfs/dbraw/zinc/90/67/03/1437906703.db2.gz NVXAZMRIHSVLQB-KRWDZBQOSA-N 2 1 345.531 3.088 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C(C)C)C1 ZINC001734128693 1437906735 /nfs/dbraw/zinc/90/67/35/1437906735.db2.gz NVXAZMRIHSVLQB-QGZVFWFLSA-N 2 1 345.531 3.088 20 0 EGADMP CC(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(F)c1 ZINC001734640123 1438198278 /nfs/dbraw/zinc/19/82/78/1438198278.db2.gz GBDVQIKKUOSELD-IBGZPJMESA-N 2 1 349.494 3.060 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+](C)CCCNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001751989270 1440131467 /nfs/dbraw/zinc/13/14/67/1440131467.db2.gz KUIISHHLYJJKQL-SFHVURJKSA-N 2 1 345.531 3.287 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+](C)CCCNC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001751989270 1440131468 /nfs/dbraw/zinc/13/14/68/1440131468.db2.gz KUIISHHLYJJKQL-SFHVURJKSA-N 2 1 345.531 3.287 20 0 EGADMP C[C@@H](C(=O)NCCC[N@@H+](C)CC1CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001752072510 1440138156 /nfs/dbraw/zinc/13/81/56/1440138156.db2.gz CYQQMFPBPAOFOW-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCCC[N@@H+](C)CC1=CCCCC1)c1ccccc1 ZINC001752126745 1440143364 /nfs/dbraw/zinc/14/33/64/1440143364.db2.gz VLZGOXOXAVYOQN-HXUWFJFHSA-N 2 1 343.515 3.228 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCCC[N@H+](C)CC1=CCCCC1)c1ccccc1 ZINC001752126745 1440143366 /nfs/dbraw/zinc/14/33/66/1440143366.db2.gz VLZGOXOXAVYOQN-HXUWFJFHSA-N 2 1 343.515 3.228 20 0 EGADMP CCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001752158335 1440147982 /nfs/dbraw/zinc/14/79/82/1440147982.db2.gz MWTOCZZHOAAATD-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001752707833 1440202939 /nfs/dbraw/zinc/20/29/39/1440202939.db2.gz QDYSPUYJDSZJRR-PMACEKPBSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001752707835 1440203088 /nfs/dbraw/zinc/20/30/88/1440203088.db2.gz QDYSPUYJDSZJRR-UXHICEINSA-N 2 1 349.563 3.366 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001752785560 1440211237 /nfs/dbraw/zinc/21/12/37/1440211237.db2.gz XNHFMSQRUBQLTP-QWNKOJSDSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001752790356 1440213584 /nfs/dbraw/zinc/21/35/84/1440213584.db2.gz XMQJTOHINKGFOE-AZUAARDMSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001752790356 1440213585 /nfs/dbraw/zinc/21/35/85/1440213585.db2.gz XMQJTOHINKGFOE-AZUAARDMSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1CCC(C)(C)C ZINC001752824824 1440222905 /nfs/dbraw/zinc/22/29/05/1440222905.db2.gz FFDKZJQEMGEMKA-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001752824824 1440222906 /nfs/dbraw/zinc/22/29/06/1440222906.db2.gz FFDKZJQEMGEMKA-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1CCC(C)(C)C ZINC001752824824 1440222907 /nfs/dbraw/zinc/22/29/07/1440222907.db2.gz FFDKZJQEMGEMKA-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001752827366 1440224256 /nfs/dbraw/zinc/22/42/56/1440224256.db2.gz AIMAIMSPSVQPJE-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001752841138 1440230512 /nfs/dbraw/zinc/23/05/12/1440230512.db2.gz OBJKETAASSKAFO-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001752999843 1440263971 /nfs/dbraw/zinc/26/39/71/1440263971.db2.gz ISGVQFCOLBHADV-WOJBJXKFSA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CCC1CCCCC1 ZINC001753055502 1440281279 /nfs/dbraw/zinc/28/12/79/1440281279.db2.gz OXILADMNHODDNE-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)CCC1CCCCC1 ZINC001753055502 1440281280 /nfs/dbraw/zinc/28/12/80/1440281280.db2.gz OXILADMNHODDNE-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CCC1CCCCC1 ZINC001753055502 1440281281 /nfs/dbraw/zinc/28/12/81/1440281281.db2.gz OXILADMNHODDNE-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001753056150 1440281429 /nfs/dbraw/zinc/28/14/29/1440281429.db2.gz SWKPZPTXEQFQAT-OAHLLOKOSA-N 2 1 349.906 3.077 20 0 EGADMP C[NH+](C)CCc1ccccc1C(=O)NCC[N@@H+](C)CC1CCCCC1 ZINC001753058545 1440282425 /nfs/dbraw/zinc/28/24/25/1440282425.db2.gz VBGCCMHGMOJQIN-UHFFFAOYSA-N 2 1 345.531 3.033 20 0 EGADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)CC1CC2(CCC2)C1)[NH+]1CCCCC1 ZINC001753074360 1440290378 /nfs/dbraw/zinc/29/03/78/1440290378.db2.gz ITMCSAVBYQCOKG-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccc(C(C)C)cc1 ZINC001753092805 1440300162 /nfs/dbraw/zinc/30/01/62/1440300162.db2.gz IUAVIGUKGNSXGP-IBGZPJMESA-N 2 1 345.531 3.090 20 0 EGADMP CC[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1ccc(C(C)C)cc1 ZINC001753092805 1440300163 /nfs/dbraw/zinc/30/01/63/1440300163.db2.gz IUAVIGUKGNSXGP-IBGZPJMESA-N 2 1 345.531 3.090 20 0 EGADMP CC[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1ccc(C(C)C)cc1 ZINC001753092805 1440300164 /nfs/dbraw/zinc/30/01/64/1440300164.db2.gz IUAVIGUKGNSXGP-IBGZPJMESA-N 2 1 345.531 3.090 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)CCC1CCCCC1 ZINC001753094885 1440302008 /nfs/dbraw/zinc/30/20/08/1440302008.db2.gz LCCIKWREBNMJHX-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)CCC1CCCCC1 ZINC001753094885 1440302009 /nfs/dbraw/zinc/30/20/09/1440302009.db2.gz LCCIKWREBNMJHX-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)CCC1CCCCC1 ZINC001753094885 1440302010 /nfs/dbraw/zinc/30/20/10/1440302010.db2.gz LCCIKWREBNMJHX-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001753137279 1440319356 /nfs/dbraw/zinc/31/93/56/1440319356.db2.gz HPSVRNQJWCLFHU-LPHOPBHVSA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001753137279 1440319357 /nfs/dbraw/zinc/31/93/57/1440319357.db2.gz HPSVRNQJWCLFHU-LPHOPBHVSA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001753137279 1440319358 /nfs/dbraw/zinc/31/93/58/1440319358.db2.gz HPSVRNQJWCLFHU-LPHOPBHVSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)Cc1ccc(C)cc1 ZINC001753142800 1440322299 /nfs/dbraw/zinc/32/22/99/1440322299.db2.gz AOJDQXSQWDXALJ-VQTJNVASSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)Cc1ccc(C)cc1 ZINC001753142800 1440322300 /nfs/dbraw/zinc/32/23/00/1440322300.db2.gz AOJDQXSQWDXALJ-VQTJNVASSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)Cc1ccc(C)cc1 ZINC001753142800 1440322301 /nfs/dbraw/zinc/32/23/01/1440322301.db2.gz AOJDQXSQWDXALJ-VQTJNVASSA-N 2 1 345.531 3.054 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[N@@H+](CCNC(=O)C2CC[NH+](C)CC2)C2CC2)C1 ZINC001753159623 1440332978 /nfs/dbraw/zinc/33/29/78/1440332978.db2.gz VSDSGSMGLJHMKC-MSOLQXFVSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001753280011 1440347119 /nfs/dbraw/zinc/34/71/19/1440347119.db2.gz BRKDOCARXZJWGD-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC)c1ccc(C(C)C)cc1 ZINC001753294501 1440351625 /nfs/dbraw/zinc/35/16/25/1440351625.db2.gz OARQMIZYECLNOM-UXHICEINSA-N 2 1 345.531 3.451 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001753311724 1440356715 /nfs/dbraw/zinc/35/67/15/1440356715.db2.gz GRQKCTSMAOMIIP-BGYRXZFFSA-N 2 1 347.547 3.118 20 0 EGADMP CCCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001753316077 1440359679 /nfs/dbraw/zinc/35/96/79/1440359679.db2.gz KWRXBJOJGAODBY-UYAOXDASSA-N 2 1 349.563 3.362 20 0 EGADMP CCCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](C(C)C)C1 ZINC001753316077 1440359680 /nfs/dbraw/zinc/35/96/80/1440359680.db2.gz KWRXBJOJGAODBY-UYAOXDASSA-N 2 1 349.563 3.362 20 0 EGADMP CCCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](C(C)C)C1 ZINC001753316077 1440359681 /nfs/dbraw/zinc/35/96/81/1440359681.db2.gz KWRXBJOJGAODBY-UYAOXDASSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[N@@H+](C)CCC3CC3)C2)CCCCC1 ZINC001753352107 1440378260 /nfs/dbraw/zinc/37/82/60/1440378260.db2.gz ITOMVVJNFPLQHP-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCC/C=C/CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001753354343 1440379246 /nfs/dbraw/zinc/37/92/46/1440379246.db2.gz DRCHPFGXUUUWIP-HBCQFFLPSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001753354343 1440379247 /nfs/dbraw/zinc/37/92/47/1440379247.db2.gz DRCHPFGXUUUWIP-HBCQFFLPSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001753354343 1440379248 /nfs/dbraw/zinc/37/92/48/1440379248.db2.gz DRCHPFGXUUUWIP-HBCQFFLPSA-N 2 1 349.563 3.243 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753438488 1440400875 /nfs/dbraw/zinc/40/08/75/1440400875.db2.gz AHJDPJVAJKUQMV-ROUUACIJSA-N 2 1 343.515 3.073 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2C(C)C)C1 ZINC001753447760 1440404671 /nfs/dbraw/zinc/40/46/71/1440404671.db2.gz FYNVPEGEARIFFI-IBGZPJMESA-N 2 1 345.531 3.185 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2C(C)C)C1 ZINC001753447760 1440404672 /nfs/dbraw/zinc/40/46/72/1440404672.db2.gz FYNVPEGEARIFFI-IBGZPJMESA-N 2 1 345.531 3.185 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2C(C)C)C1 ZINC001753447760 1440404673 /nfs/dbraw/zinc/40/46/73/1440404673.db2.gz FYNVPEGEARIFFI-IBGZPJMESA-N 2 1 345.531 3.185 20 0 EGADMP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001753462503 1440411772 /nfs/dbraw/zinc/41/17/72/1440411772.db2.gz XSMIOOSSZZOHHN-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001753462503 1440411773 /nfs/dbraw/zinc/41/17/73/1440411773.db2.gz XSMIOOSSZZOHHN-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001753462503 1440411774 /nfs/dbraw/zinc/41/17/74/1440411774.db2.gz XSMIOOSSZZOHHN-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](CC)[NH2+]CC2=CCCCC2)C1 ZINC001753484099 1440417426 /nfs/dbraw/zinc/41/74/26/1440417426.db2.gz MSRVRERBHWWYNW-RBUKOAKNSA-N 2 1 335.536 3.093 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@]1(C[NH2+]Cc2ccccc2)CCCC[C@H]1C ZINC001753536037 1440432573 /nfs/dbraw/zinc/43/25/73/1440432573.db2.gz OPXUFXGHFYCHOS-WIYYLYMNSA-N 2 1 345.531 3.183 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@]1(C[NH2+]Cc2ccccc2)CCCC[C@@H]1C ZINC001753536034 1440432632 /nfs/dbraw/zinc/43/26/32/1440432632.db2.gz OPXUFXGHFYCHOS-GHTZIAJQSA-N 2 1 345.531 3.183 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1CC[NH+](Cc2ccccc2C)CC1 ZINC001753599612 1440446044 /nfs/dbraw/zinc/44/60/44/1440446044.db2.gz RFEFRZYYKBPQCP-UHFFFAOYSA-N 2 1 345.531 3.055 20 0 EGADMP CC(C)CCC[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)CC2 ZINC001753673995 1440462953 /nfs/dbraw/zinc/46/29/53/1440462953.db2.gz ICLRXMXAJXHULO-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCC2=CCCCC2)C1 ZINC001753709137 1440470098 /nfs/dbraw/zinc/47/00/98/1440470098.db2.gz SJXURMONNKVRPG-QUCCMNQESA-N 2 1 349.563 3.435 20 0 EGADMP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001753749761 1440482196 /nfs/dbraw/zinc/48/21/96/1440482196.db2.gz PYAJZCIHVIMWJE-RTBURBONSA-N 2 1 337.552 3.029 20 0 EGADMP CC/C=C/CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001753776360 1440486555 /nfs/dbraw/zinc/48/65/55/1440486555.db2.gz DGXJOQARPDPSGQ-HWYAZIHESA-N 2 1 349.563 3.434 20 0 EGADMP C[C@H](F)CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001753794975 1440489571 /nfs/dbraw/zinc/48/95/71/1440489571.db2.gz FIXIZYBSXSOIBE-IRXDYDNUSA-N 2 1 343.531 3.073 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC2=CCCCC2)C1 ZINC001753800084 1440490663 /nfs/dbraw/zinc/49/06/63/1440490663.db2.gz VBXOBWWEMCEBMY-MJGOQNOKSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC(CC[N@@H+](C)C(C)C)CC1)[NH+]1CCCC1 ZINC001753823394 1440497134 /nfs/dbraw/zinc/49/71/34/1440497134.db2.gz HJDKQKQVPUEKOH-IBGZPJMESA-N 2 1 337.552 3.076 20 0 EGADMP CCCCC[N@@H+](C)CCC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001753823841 1440497485 /nfs/dbraw/zinc/49/74/85/1440497485.db2.gz PKKVUTHYIQXOHY-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCC[NH+](C)CCC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001753823841 1440497486 /nfs/dbraw/zinc/49/74/86/1440497486.db2.gz PKKVUTHYIQXOHY-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCC[NH+](C)CCC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001753823841 1440497487 /nfs/dbraw/zinc/49/74/87/1440497487.db2.gz PKKVUTHYIQXOHY-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CC[C@@H]([NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)C(C)C)c1ccccc1 ZINC001753834472 1440500623 /nfs/dbraw/zinc/50/06/23/1440500623.db2.gz KUPYHBMPXQSDOB-RTBURBONSA-N 2 1 342.487 3.073 20 0 EGADMP CC(C)c1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001753852923 1440507668 /nfs/dbraw/zinc/50/76/68/1440507668.db2.gz FCSSEHNSBAUHPJ-YLJYHZDGSA-N 2 1 345.531 3.040 20 0 EGADMP CC(C)c1ccccc1C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001753852923 1440507669 /nfs/dbraw/zinc/50/76/69/1440507669.db2.gz FCSSEHNSBAUHPJ-YLJYHZDGSA-N 2 1 345.531 3.040 20 0 EGADMP CC(C)c1ccccc1C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001753852923 1440507670 /nfs/dbraw/zinc/50/76/70/1440507670.db2.gz FCSSEHNSBAUHPJ-YLJYHZDGSA-N 2 1 345.531 3.040 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001753869151 1440516455 /nfs/dbraw/zinc/51/64/55/1440516455.db2.gz IXMAOARXIHYUJP-LJQANCHMSA-N 2 1 345.531 3.404 20 0 EGADMP CCCCCC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001753877382 1440519726 /nfs/dbraw/zinc/51/97/26/1440519726.db2.gz GEMAQHJWPMDWAU-PMACEKPBSA-N 2 1 349.563 3.366 20 0 EGADMP CCN(CC[NH2+]Cc1c(C)cccc1C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001754084763 1440539977 /nfs/dbraw/zinc/53/99/77/1440539977.db2.gz NNPGOGYVILVUBI-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP C[C@@H](C[N@@H+](C)CC1CCCCCC1)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001754312861 1440574016 /nfs/dbraw/zinc/57/40/16/1440574016.db2.gz JVZWYXMTYGFFMB-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](C[NH+](C)CC1CCCCCC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001754312861 1440574017 /nfs/dbraw/zinc/57/40/17/1440574017.db2.gz JVZWYXMTYGFFMB-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](C[NH+](C)CC1CCCCCC1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001754312861 1440574018 /nfs/dbraw/zinc/57/40/18/1440574018.db2.gz JVZWYXMTYGFFMB-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001754335427 1440586224 /nfs/dbraw/zinc/58/62/24/1440586224.db2.gz COTSSBHQXDARNP-IEBWSBKVSA-N 2 1 349.563 3.124 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1([NH2+]CCC(C)(C)C)CC1 ZINC001754515156 1440618355 /nfs/dbraw/zinc/61/83/55/1440618355.db2.gz MBUDLYGARJWRKA-OAHLLOKOSA-N 2 1 334.508 3.071 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001754534775 1440623716 /nfs/dbraw/zinc/62/37/16/1440623716.db2.gz BAXPPRHNVKCGAT-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001754534775 1440623717 /nfs/dbraw/zinc/62/37/17/1440623717.db2.gz BAXPPRHNVKCGAT-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001754534775 1440623718 /nfs/dbraw/zinc/62/37/18/1440623718.db2.gz BAXPPRHNVKCGAT-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001754557982 1440632554 /nfs/dbraw/zinc/63/25/54/1440632554.db2.gz USFURCXHUJDGJY-NYPGBQQYSA-N 2 1 347.547 3.142 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001754557982 1440632555 /nfs/dbraw/zinc/63/25/55/1440632555.db2.gz USFURCXHUJDGJY-NYPGBQQYSA-N 2 1 347.547 3.142 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001754557982 1440632556 /nfs/dbraw/zinc/63/25/56/1440632556.db2.gz USFURCXHUJDGJY-NYPGBQQYSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1CC1)C1CCCC1 ZINC001754654762 1440653157 /nfs/dbraw/zinc/65/31/57/1440653157.db2.gz JWFMUBRYHVIVQI-UXHICEINSA-N 2 1 349.563 3.314 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001754673528 1440659046 /nfs/dbraw/zinc/65/90/46/1440659046.db2.gz BUSVQWXAMWWOLI-ZIKMKABXSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001754673528 1440659047 /nfs/dbraw/zinc/65/90/47/1440659047.db2.gz BUSVQWXAMWWOLI-ZIKMKABXSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001754673528 1440659048 /nfs/dbraw/zinc/65/90/48/1440659048.db2.gz BUSVQWXAMWWOLI-ZIKMKABXSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001754674776 1440659439 /nfs/dbraw/zinc/65/94/39/1440659439.db2.gz CHEGXKNQEPXGNZ-TZIWHRDSSA-N 2 1 345.531 3.231 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001754679314 1440661426 /nfs/dbraw/zinc/66/14/26/1440661426.db2.gz PHMFKPWGNULOJD-ICSRJNTNSA-N 2 1 331.504 3.060 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001754728348 1440677362 /nfs/dbraw/zinc/67/73/62/1440677362.db2.gz UAOAFKKHRLTOIV-LYDDRXCESA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001754728348 1440677363 /nfs/dbraw/zinc/67/73/63/1440677363.db2.gz UAOAFKKHRLTOIV-LYDDRXCESA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001754728348 1440677364 /nfs/dbraw/zinc/67/73/64/1440677364.db2.gz UAOAFKKHRLTOIV-LYDDRXCESA-N 2 1 349.563 3.291 20 0 EGADMP CCCCCC[N@H+]1CCC[C@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001754732176 1440680249 /nfs/dbraw/zinc/68/02/49/1440680249.db2.gz OYPCRZWBGVWQLS-UYAOXDASSA-N 2 1 337.552 3.127 20 0 EGADMP CCCCCC[NH+]1CCC[C@](C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001754732176 1440680250 /nfs/dbraw/zinc/68/02/50/1440680250.db2.gz OYPCRZWBGVWQLS-UYAOXDASSA-N 2 1 337.552 3.127 20 0 EGADMP CCCCCC[NH+]1CCC[C@](C)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001754732176 1440680251 /nfs/dbraw/zinc/68/02/51/1440680251.db2.gz OYPCRZWBGVWQLS-UYAOXDASSA-N 2 1 337.552 3.127 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001754734264 1440681534 /nfs/dbraw/zinc/68/15/34/1440681534.db2.gz ULORVTXOHWRYTJ-PRPIBZDOSA-N 2 1 335.536 3.047 20 0 EGADMP CCC[N@H+]1CCC[C@@](C)(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001754735802 1440682264 /nfs/dbraw/zinc/68/22/64/1440682264.db2.gz LAKDUOCABSBERS-NRFANRHFSA-N 2 1 345.531 3.033 20 0 EGADMP CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001754796647 1440689618 /nfs/dbraw/zinc/68/96/18/1440689618.db2.gz FFLYXLVNWORJDG-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)C1 ZINC001754831054 1440695170 /nfs/dbraw/zinc/69/51/70/1440695170.db2.gz MMYZEQNXFOAKHV-OKYOBFRVSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)C1 ZINC001754831054 1440695171 /nfs/dbraw/zinc/69/51/71/1440695171.db2.gz MMYZEQNXFOAKHV-OKYOBFRVSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)C1 ZINC001754831054 1440695172 /nfs/dbraw/zinc/69/51/72/1440695172.db2.gz MMYZEQNXFOAKHV-OKYOBFRVSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCC1CCCC1 ZINC001754869855 1440704647 /nfs/dbraw/zinc/70/46/47/1440704647.db2.gz QTCJWQWZQJCXII-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC1CCCC1 ZINC001754869855 1440704648 /nfs/dbraw/zinc/70/46/48/1440704648.db2.gz QTCJWQWZQJCXII-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC1CCCC1 ZINC001754869855 1440704649 /nfs/dbraw/zinc/70/46/49/1440704649.db2.gz QTCJWQWZQJCXII-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](CC[NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001754940848 1440711813 /nfs/dbraw/zinc/71/18/13/1440711813.db2.gz XVKAZKWDPJIBKK-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCC1 ZINC001754988023 1440723468 /nfs/dbraw/zinc/72/34/68/1440723468.db2.gz OOXSZDPEBPJBQM-ROUUACIJSA-N 2 1 335.536 3.068 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCC3CCCCCC3)CCC2)C1 ZINC001754991406 1440724449 /nfs/dbraw/zinc/72/44/49/1440724449.db2.gz KULSMHUUPRGPAX-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001755027765 1440729969 /nfs/dbraw/zinc/72/99/69/1440729969.db2.gz GRBTYOXAAVTXOG-RTBURBONSA-N 2 1 345.531 3.369 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCC(C)(C)C)CC2)CC1 ZINC001755028918 1440730274 /nfs/dbraw/zinc/73/02/74/1440730274.db2.gz QVMDXMGVAZCLCB-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1)[NH+](CC)CC ZINC001755029918 1440730821 /nfs/dbraw/zinc/73/08/21/1440730821.db2.gz SPUGJFPIXOHSSW-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cc(C)ccc2C)CC1 ZINC001755031057 1440731307 /nfs/dbraw/zinc/73/13/07/1440731307.db2.gz MEOAPFWSSZAGCI-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)ccc2C)CC1 ZINC001755031057 1440731308 /nfs/dbraw/zinc/73/13/08/1440731308.db2.gz MEOAPFWSSZAGCI-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)ccc2C)CC1 ZINC001755031057 1440731309 /nfs/dbraw/zinc/73/13/09/1440731309.db2.gz MEOAPFWSSZAGCI-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001755037325 1440735126 /nfs/dbraw/zinc/73/51/26/1440735126.db2.gz VAMZTHDUZPNXJM-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755037325 1440735127 /nfs/dbraw/zinc/73/51/27/1440735127.db2.gz VAMZTHDUZPNXJM-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755037325 1440735128 /nfs/dbraw/zinc/73/51/28/1440735128.db2.gz VAMZTHDUZPNXJM-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC1([NH2+]CC2CC(C)C2)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001755069077 1440745957 /nfs/dbraw/zinc/74/59/57/1440745957.db2.gz LEMWLDBZDCLMLV-CTWPCTMYSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@]2(CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001755079409 1440750350 /nfs/dbraw/zinc/75/03/50/1440750350.db2.gz JKKATWOHCMVUDM-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001755079409 1440750351 /nfs/dbraw/zinc/75/03/51/1440750351.db2.gz JKKATWOHCMVUDM-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001755079409 1440750352 /nfs/dbraw/zinc/75/03/52/1440750352.db2.gz JKKATWOHCMVUDM-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001755079893 1440750725 /nfs/dbraw/zinc/75/07/25/1440750725.db2.gz TXLQTANGSULZQX-FQEVSTJZSA-N 2 1 346.519 3.086 20 0 EGADMP CCCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001755079893 1440750726 /nfs/dbraw/zinc/75/07/26/1440750726.db2.gz TXLQTANGSULZQX-FQEVSTJZSA-N 2 1 346.519 3.086 20 0 EGADMP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001755129042 1440756735 /nfs/dbraw/zinc/75/67/35/1440756735.db2.gz AIPFLRGTZLSMNE-IPLHWJFFSA-N 2 1 335.536 3.188 20 0 EGADMP CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001755134972 1440757912 /nfs/dbraw/zinc/75/79/12/1440757912.db2.gz BGNBNFXJBQYGOV-DKFQHHCZSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC(C)([NH2+]CC2CCCCC2)CC1 ZINC001755135451 1440758071 /nfs/dbraw/zinc/75/80/71/1440758071.db2.gz PSNHZDRJWUBLGO-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC2(CC1)CC[NH+](CCC1CC1)CC2 ZINC001755176156 1440770772 /nfs/dbraw/zinc/77/07/72/1440770772.db2.gz UOIVSPDJZUPAJF-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001755201291 1440779816 /nfs/dbraw/zinc/77/98/16/1440779816.db2.gz QJWJNJBVUGSLRK-WOJBJXKFSA-N 2 1 345.531 3.401 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001755201291 1440779817 /nfs/dbraw/zinc/77/98/17/1440779817.db2.gz QJWJNJBVUGSLRK-WOJBJXKFSA-N 2 1 345.531 3.401 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001755201291 1440779818 /nfs/dbraw/zinc/77/98/18/1440779818.db2.gz QJWJNJBVUGSLRK-WOJBJXKFSA-N 2 1 345.531 3.401 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)C1CCC([NH2+]C(C)C)CC1 ZINC001755274022 1440798465 /nfs/dbraw/zinc/79/84/65/1440798465.db2.gz MRBRRSFXNSCULH-GTPINHCMSA-N 2 1 334.508 3.164 20 0 EGADMP CC/C=C/CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001755281575 1440800819 /nfs/dbraw/zinc/80/08/19/1440800819.db2.gz OMDQQWYDTOXHML-KAGICYHLSA-N 2 1 349.563 3.434 20 0 EGADMP CN(CC(C)(C)C[NH2+]CC1CCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001755286401 1440802116 /nfs/dbraw/zinc/80/21/16/1440802116.db2.gz UNWMNZWUEALSLO-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1ccc(C[NH+](C)[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001755300517 1440808044 /nfs/dbraw/zinc/80/80/44/1440808044.db2.gz RFFSNYRJSMFCCU-MBOZVWFJSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)c1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1 ZINC001755300517 1440808045 /nfs/dbraw/zinc/80/80/45/1440808045.db2.gz RFFSNYRJSMFCCU-MBOZVWFJSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)c1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1 ZINC001755300517 1440808046 /nfs/dbraw/zinc/80/80/46/1440808046.db2.gz RFFSNYRJSMFCCU-MBOZVWFJSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC1CC2(CCC2)C1 ZINC001755306978 1440811518 /nfs/dbraw/zinc/81/15/18/1440811518.db2.gz WGNDBEXJCSKJCD-PKOBYXMFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CC2(CCC2)C1 ZINC001755306978 1440811519 /nfs/dbraw/zinc/81/15/19/1440811519.db2.gz WGNDBEXJCSKJCD-PKOBYXMFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001755306978 1440811520 /nfs/dbraw/zinc/81/15/20/1440811520.db2.gz WGNDBEXJCSKJCD-PKOBYXMFSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001755326102 1440821667 /nfs/dbraw/zinc/82/16/67/1440821667.db2.gz JCQMPWBLUHJZTG-ZIAGYGMSSA-N 2 1 348.878 3.043 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001755326102 1440821668 /nfs/dbraw/zinc/82/16/68/1440821668.db2.gz JCQMPWBLUHJZTG-ZIAGYGMSSA-N 2 1 348.878 3.043 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCCC[NH+]1CC1CCCCC1 ZINC001755368622 1440836402 /nfs/dbraw/zinc/83/64/02/1440836402.db2.gz UCOAACLVNBMMDG-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCCCC1 ZINC001755368622 1440836403 /nfs/dbraw/zinc/83/64/03/1440836403.db2.gz UCOAACLVNBMMDG-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCCC[N@H+]1CC1CCCCC1 ZINC001755368622 1440836404 /nfs/dbraw/zinc/83/64/04/1440836404.db2.gz UCOAACLVNBMMDG-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccccc1F ZINC001755527187 1440866084 /nfs/dbraw/zinc/86/60/84/1440866084.db2.gz XIMPTUGBXOURBP-LPHOPBHVSA-N 2 1 349.494 3.075 20 0 EGADMP CC(C)c1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001755603804 1440884862 /nfs/dbraw/zinc/88/48/62/1440884862.db2.gz ISGNWKJGZTYNME-ZWKOTPCHSA-N 2 1 345.531 3.088 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001755619238 1440889961 /nfs/dbraw/zinc/88/99/61/1440889961.db2.gz UUSQCQLOQWPOBY-PKOBYXMFSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C[C@H]1C ZINC001755693821 1440897298 /nfs/dbraw/zinc/89/72/98/1440897298.db2.gz RSNWTJTUZSTOIE-SJLPKXTDSA-N 2 1 337.552 3.122 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC1CCCC1)CC2 ZINC001755704835 1440902016 /nfs/dbraw/zinc/90/20/16/1440902016.db2.gz QVWVILBCIUDYFB-AZUAARDMSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)[C@@H]1C ZINC001755722257 1440907985 /nfs/dbraw/zinc/90/79/85/1440907985.db2.gz HEUMSDAVQLYRJT-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)[C@@H]1C ZINC001755722257 1440907986 /nfs/dbraw/zinc/90/79/86/1440907986.db2.gz HEUMSDAVQLYRJT-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)[C@@H]1C ZINC001755722257 1440907987 /nfs/dbraw/zinc/90/79/87/1440907987.db2.gz HEUMSDAVQLYRJT-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001755722976 1440908214 /nfs/dbraw/zinc/90/82/14/1440908214.db2.gz UGTZMFWXVOZYTO-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C(C)(C)C1 ZINC001755765510 1440916052 /nfs/dbraw/zinc/91/60/52/1440916052.db2.gz QRVBPPOIZDPJBT-YJBOKZPZSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)=CC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001755817064 1440923946 /nfs/dbraw/zinc/92/39/46/1440923946.db2.gz BKQUDKDFFBZVHL-OALUTQOASA-N 2 1 337.552 3.242 20 0 EGADMP CC(C)[NH+]1CCC([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001755848769 1440934252 /nfs/dbraw/zinc/93/42/52/1440934252.db2.gz YHKVIBLXOHNPKN-KRWDZBQOSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCC2CCC2)C1 ZINC001755865961 1440937816 /nfs/dbraw/zinc/93/78/16/1440937816.db2.gz XSKKTDOOZDTVNS-ACBHZAAOSA-N 2 1 335.536 3.020 20 0 EGADMP CN(CC1CC[NH+](C)CC1)c1[nH+]cnc2c1ccn2C1CCCC1 ZINC001165041248 721934414 /nfs/dbraw/zinc/93/44/14/721934414.db2.gz MPOQXSGOERIIBW-UHFFFAOYSA-N 2 1 327.476 3.324 20 0 EGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCc2[nH]cnc21)c1ccccc1 ZINC000368453316 168358058 /nfs/dbraw/zinc/35/80/58/168358058.db2.gz FRWACOKGSPZLTE-ZBFHGGJFSA-N 2 1 340.471 3.075 20 0 EGADMP Cc1cc(N2CCC([NH2+]Cc3cccc4[nH]ccc43)CC2)nc(C)[nH+]1 ZINC000178615122 232303789 /nfs/dbraw/zinc/30/37/89/232303789.db2.gz AXDVZADYAJYYIH-UHFFFAOYSA-N 2 1 335.455 3.333 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000178700550 232390268 /nfs/dbraw/zinc/39/02/68/232390268.db2.gz WSNYATOONCIXMU-LSDHHAIUSA-N 2 1 329.444 3.340 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000104150129 219353506 /nfs/dbraw/zinc/35/35/06/219353506.db2.gz QCCUUQPIIVVATQ-GOSISDBHSA-N 2 1 347.528 3.048 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000265915084 283188218 /nfs/dbraw/zinc/18/82/18/283188218.db2.gz AFJHOGNFGQRLPO-XLIONFOSSA-N 2 1 345.531 3.331 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000265915084 283188222 /nfs/dbraw/zinc/18/82/22/283188222.db2.gz AFJHOGNFGQRLPO-XLIONFOSSA-N 2 1 345.531 3.331 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000265915084 283188223 /nfs/dbraw/zinc/18/82/23/283188223.db2.gz AFJHOGNFGQRLPO-XLIONFOSSA-N 2 1 345.531 3.331 20 0 EGADMP COc1ccc(Br)cc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070169729 215679689 /nfs/dbraw/zinc/67/96/89/215679689.db2.gz UNDLLOMOHCLVDU-LBPRGKRZSA-N 2 1 327.266 3.019 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000187119457 236123796 /nfs/dbraw/zinc/12/37/96/236123796.db2.gz CGLVSZBZSKCFNE-MRXNPFEDSA-N 2 1 337.467 3.331 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000187119457 236123799 /nfs/dbraw/zinc/12/37/99/236123799.db2.gz CGLVSZBZSKCFNE-MRXNPFEDSA-N 2 1 337.467 3.331 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000187119444 236123870 /nfs/dbraw/zinc/12/38/70/236123870.db2.gz CGLVSZBZSKCFNE-INIZCTEOSA-N 2 1 337.467 3.331 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000187119444 236123873 /nfs/dbraw/zinc/12/38/73/236123873.db2.gz CGLVSZBZSKCFNE-INIZCTEOSA-N 2 1 337.467 3.331 20 0 EGADMP Brc1ccc(-c2ccc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)s2)cc1 ZINC000415038779 309115870 /nfs/dbraw/zinc/11/58/70/309115870.db2.gz OLGBJYRNCLBBBI-FOLVSLTJSA-N 2 1 349.297 3.485 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2=Cc3ccccc3OC2)[C@@H](C)C1 ZINC000247085779 243369852 /nfs/dbraw/zinc/36/98/52/243369852.db2.gz DGQMQFOQEMDJIG-PXNSSMCTSA-N 2 1 344.499 3.189 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1)C(C)C ZINC000262651299 245098597 /nfs/dbraw/zinc/09/85/97/245098597.db2.gz XPOYUQLWDUUAIR-RBUKOAKNSA-N 2 1 331.504 3.164 20 0 EGADMP Cc1ccc([C@@H]([NH3+])C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000262689656 245123292 /nfs/dbraw/zinc/12/32/92/245123292.db2.gz ZDBZKRLQLNGCKS-HXUWFJFHSA-N 2 1 339.483 3.151 20 0 EGADMP CCC[N@H+](Cc1cc(Br)ccc1OC)C1CC[NH2+]CC1 ZINC000049597514 214021505 /nfs/dbraw/zinc/02/15/05/214021505.db2.gz OMKAQYFXXWASLJ-UHFFFAOYSA-N 2 1 341.293 3.422 20 0 EGADMP CCC[N@@H+](Cc1cc(Br)ccc1OC)C1CC[NH2+]CC1 ZINC000049597514 214021509 /nfs/dbraw/zinc/02/15/09/214021509.db2.gz OMKAQYFXXWASLJ-UHFFFAOYSA-N 2 1 341.293 3.422 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000078228668 217031552 /nfs/dbraw/zinc/03/15/52/217031552.db2.gz PAQNOODBTAECLU-UHFFFAOYSA-N 2 1 339.483 3.000 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CCC[NH+](C)C2)cc1 ZINC000266201677 248167893 /nfs/dbraw/zinc/16/78/93/248167893.db2.gz WPPUIEKZUDETON-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000266201677 248167897 /nfs/dbraw/zinc/16/78/97/248167897.db2.gz WPPUIEKZUDETON-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000266201677 248167900 /nfs/dbraw/zinc/16/79/00/248167900.db2.gz WPPUIEKZUDETON-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC(C)(C)C[NH3+] ZINC000093874448 218254085 /nfs/dbraw/zinc/25/40/85/218254085.db2.gz RIHCVGYAWZISTL-UHFFFAOYSA-N 2 1 332.275 3.239 20 0 EGADMP Cc1noc(CCC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000268699492 252151023 /nfs/dbraw/zinc/15/10/23/252151023.db2.gz UVBRJSDITYGQQO-QFBILLFUSA-N 2 1 342.487 3.296 20 0 EGADMP Cc1noc(CCC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000268699492 252151025 /nfs/dbraw/zinc/15/10/25/252151025.db2.gz UVBRJSDITYGQQO-QFBILLFUSA-N 2 1 342.487 3.296 20 0 EGADMP Cc1noc(CCC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000268699492 252151028 /nfs/dbraw/zinc/15/10/28/252151028.db2.gz UVBRJSDITYGQQO-QFBILLFUSA-N 2 1 342.487 3.296 20 0 EGADMP Cc1noc(CCC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000268699492 252151029 /nfs/dbraw/zinc/15/10/29/252151029.db2.gz UVBRJSDITYGQQO-QFBILLFUSA-N 2 1 342.487 3.296 20 0 EGADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000268789865 252239375 /nfs/dbraw/zinc/23/93/75/252239375.db2.gz XIQJMEDWPHWPQL-DNVCBOLYSA-N 2 1 329.513 3.494 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000268788892 252240187 /nfs/dbraw/zinc/24/01/87/252240187.db2.gz CHPITJYQOLYGEZ-AWEZNQCLSA-N 2 1 326.506 3.036 20 0 EGADMP COc1cccc2c1CC[C@H]2[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000268821209 252270893 /nfs/dbraw/zinc/27/08/93/252270893.db2.gz LWOHIWUCFICXBR-JTDSTZFVSA-N 2 1 332.488 3.162 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000268833791 252283101 /nfs/dbraw/zinc/28/31/01/252283101.db2.gz ARHYHVDERYEFPE-NHCUHLMSSA-N 2 1 329.532 3.330 20 0 EGADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000268844136 252291904 /nfs/dbraw/zinc/29/19/04/252291904.db2.gz VCDVXQDXWRQYFK-LBPRGKRZSA-N 2 1 334.382 3.046 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000268844136 252291907 /nfs/dbraw/zinc/29/19/07/252291907.db2.gz VCDVXQDXWRQYFK-LBPRGKRZSA-N 2 1 334.382 3.046 20 0 EGADMP COc1cc(NC2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)cc(OC)c1 ZINC000129190447 533024700 /nfs/dbraw/zinc/02/47/00/533024700.db2.gz FWNUPGQQGSZEIN-GOSISDBHSA-N 2 1 347.503 3.064 20 0 EGADMP COc1cc2[nH]c(CCC[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cc2c(OC)c1 ZINC000166334644 533145410 /nfs/dbraw/zinc/14/54/10/533145410.db2.gz AKERXEOFJNSKQV-CABCVRRESA-N 2 1 345.487 3.190 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]C3CC[NH+](C(C)(C)C)CC3)c(C)n2n1 ZINC000119867312 221421744 /nfs/dbraw/zinc/42/17/44/221421744.db2.gz OGMLMDYOSLBNAK-CQSZACIVSA-N 2 1 329.492 3.260 20 0 EGADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000181410220 285363219 /nfs/dbraw/zinc/36/32/19/285363219.db2.gz GJWDZCWGXNQEIW-AQNXPRMDSA-N 2 1 344.499 3.258 20 0 EGADMP C[C@@H](CCSc1ccccc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000129783158 533648401 /nfs/dbraw/zinc/64/84/01/533648401.db2.gz FTJNYGBPKXCOIH-SFHVURJKSA-N 2 1 335.561 3.127 20 0 EGADMP C[C@H](CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237554356 141007953 /nfs/dbraw/zinc/00/79/53/141007953.db2.gz PFEPKJGABAJVCZ-UYAOXDASSA-N 2 1 349.563 3.127 20 0 EGADMP C[C@H](CC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237634810 141011504 /nfs/dbraw/zinc/01/15/04/141011504.db2.gz SLBMYXCBMZAJFA-QWFCFKBJSA-N 2 1 345.531 3.039 20 0 EGADMP c1cc2c(cc1[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)C1CC1)OCCO2 ZINC000246690936 141025812 /nfs/dbraw/zinc/02/58/12/141025812.db2.gz MVYIXPSPIFCIOI-FUHIMQAGSA-N 2 1 328.456 3.125 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cc[nH]c(=O)c1 ZINC000339457223 141114812 /nfs/dbraw/zinc/11/48/12/141114812.db2.gz UZKJQSNWARBQRR-MRXNPFEDSA-N 2 1 325.456 3.145 20 0 EGADMP COCC[NH+]1CCC([NH2+]Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000342812648 141150465 /nfs/dbraw/zinc/15/04/65/141150465.db2.gz BXIUYIIMTCCRQM-UHFFFAOYSA-N 2 1 332.488 3.208 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncc(C(C)C)s2)C1 ZINC000346196920 141178334 /nfs/dbraw/zinc/17/83/34/141178334.db2.gz DCNHMANQUARYAP-OAHLLOKOSA-N 2 1 325.522 3.199 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncc(C(C)C)s2)C1 ZINC000346196920 141178336 /nfs/dbraw/zinc/17/83/36/141178336.db2.gz DCNHMANQUARYAP-OAHLLOKOSA-N 2 1 325.522 3.199 20 0 EGADMP C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347919949 141216971 /nfs/dbraw/zinc/21/69/71/141216971.db2.gz AXZCTIMQDBTXFQ-GJZGRUSLSA-N 2 1 333.451 3.007 20 0 EGADMP C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347919949 141216972 /nfs/dbraw/zinc/21/69/72/141216972.db2.gz AXZCTIMQDBTXFQ-GJZGRUSLSA-N 2 1 333.451 3.007 20 0 EGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cncc(F)c1 ZINC000350562224 141253821 /nfs/dbraw/zinc/25/38/21/141253821.db2.gz ZJGRRZMZYSVOJL-ICSRJNTNSA-N 2 1 327.447 3.393 20 0 EGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cncc(F)c1 ZINC000350562224 141253822 /nfs/dbraw/zinc/25/38/22/141253822.db2.gz ZJGRRZMZYSVOJL-ICSRJNTNSA-N 2 1 327.447 3.393 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000352943998 141274526 /nfs/dbraw/zinc/27/45/26/141274526.db2.gz DLPTYDCMGOGRJB-KDURUIRLSA-N 2 1 341.543 3.166 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000352943998 141274527 /nfs/dbraw/zinc/27/45/27/141274527.db2.gz DLPTYDCMGOGRJB-KDURUIRLSA-N 2 1 341.543 3.166 20 0 EGADMP C[N@@H+]1CC=C(CNc2ccnc3ccc(Br)cc32)CC1 ZINC000354605600 141313832 /nfs/dbraw/zinc/31/38/32/141313832.db2.gz OLSPMYTXIDWULS-UHFFFAOYSA-N 2 1 332.245 3.093 20 0 EGADMP C[N@H+]1CC=C(CNc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000354605600 141313833 /nfs/dbraw/zinc/31/38/33/141313833.db2.gz OLSPMYTXIDWULS-UHFFFAOYSA-N 2 1 332.245 3.093 20 0 EGADMP C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CCSCC1 ZINC000187334687 144157158 /nfs/dbraw/zinc/15/71/58/144157158.db2.gz MTPDCGWXENQQEQ-INIZCTEOSA-N 2 1 326.550 3.143 20 0 EGADMP COc1cccc([C@@H](CNc2cc(C)[nH+]c(C)n2)[NH+]2CCCC2)c1 ZINC000192682336 144177543 /nfs/dbraw/zinc/17/75/43/144177543.db2.gz QQZZTWLTEGCZDJ-GOSISDBHSA-N 2 1 326.444 3.351 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CC[N@H+]1C ZINC000344626906 144201801 /nfs/dbraw/zinc/20/18/01/144201801.db2.gz LOULHSFOQWMYJJ-FUHWJXTLSA-N 2 1 325.456 3.233 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000351866404 144317488 /nfs/dbraw/zinc/31/74/88/144317488.db2.gz STCBFDBKOWMORQ-SNRMKQJTSA-N 2 1 348.450 3.495 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000351866404 144317489 /nfs/dbraw/zinc/31/74/89/144317489.db2.gz STCBFDBKOWMORQ-SNRMKQJTSA-N 2 1 348.450 3.495 20 0 EGADMP Cc1ccc2nc(CNC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cn2c1 ZINC000341402131 155271627 /nfs/dbraw/zinc/27/16/27/155271627.db2.gz JOEPYFQFHOUAAL-IBGZPJMESA-N 2 1 334.467 3.254 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccncc2C)cc1F ZINC000120673889 152292356 /nfs/dbraw/zinc/29/23/56/152292356.db2.gz KIRXYPHTKLKFSE-UHFFFAOYSA-N 2 1 339.374 3.345 20 0 EGADMP Cc1ccc(C[C@@H](CO)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000188978387 153045142 /nfs/dbraw/zinc/04/51/42/153045142.db2.gz RIQXBSURLNPBSI-QFIPXVFZSA-N 2 1 338.495 3.153 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000190772341 153159385 /nfs/dbraw/zinc/15/93/85/153159385.db2.gz IZANXYLYBLWVLU-GOSISDBHSA-N 2 1 326.488 3.474 20 0 EGADMP c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192926229 153268629 /nfs/dbraw/zinc/26/86/29/153268629.db2.gz RAJAUYYQPOWYPP-SFHVURJKSA-N 2 1 347.466 3.083 20 0 EGADMP CC1CCN(C(=[NH2+])NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000341624497 155388752 /nfs/dbraw/zinc/38/87/52/155388752.db2.gz GHNLQXXWMUCHTH-IBGZPJMESA-N 2 1 328.504 3.297 20 0 EGADMP CC[C@H](C)C[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000303471734 154046317 /nfs/dbraw/zinc/04/63/17/154046317.db2.gz NTJDKBNIFXNOMI-SFHVURJKSA-N 2 1 345.531 3.007 20 0 EGADMP CC[C@H](C)C[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000303471734 154046320 /nfs/dbraw/zinc/04/63/20/154046320.db2.gz NTJDKBNIFXNOMI-SFHVURJKSA-N 2 1 345.531 3.007 20 0 EGADMP CC[C@H](C)C[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000303471734 154046324 /nfs/dbraw/zinc/04/63/24/154046324.db2.gz NTJDKBNIFXNOMI-SFHVURJKSA-N 2 1 345.531 3.007 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cn1 ZINC000305803655 154130378 /nfs/dbraw/zinc/13/03/78/154130378.db2.gz FOYZIARBIYWHAP-AABGKKOBSA-N 2 1 349.494 3.275 20 0 EGADMP c1cnn(-c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)c1 ZINC000336815433 154215683 /nfs/dbraw/zinc/21/56/83/154215683.db2.gz ZUOYUSXKWLFCAS-NRFANRHFSA-N 2 1 346.478 3.484 20 0 EGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCC23CCC3)c1 ZINC000337414890 154341628 /nfs/dbraw/zinc/34/16/28/154341628.db2.gz YQJKZRIZHSBMFM-IBGZPJMESA-N 2 1 332.488 3.066 20 0 EGADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000346967420 156220636 /nfs/dbraw/zinc/22/06/36/156220636.db2.gz DSCBBUQVUGONTL-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000346967420 156220639 /nfs/dbraw/zinc/22/06/39/156220639.db2.gz DSCBBUQVUGONTL-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000346967420 156220641 /nfs/dbraw/zinc/22/06/41/156220641.db2.gz DSCBBUQVUGONTL-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000346967420 156220645 /nfs/dbraw/zinc/22/06/45/156220645.db2.gz DSCBBUQVUGONTL-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CCC(CC)(CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+][C@H](C)c1ccccc1 ZINC000349011534 156316527 /nfs/dbraw/zinc/31/65/27/156316527.db2.gz YQBSNKIHDZUDQE-AEFFLSMTSA-N 2 1 331.504 3.106 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc2ccc(F)cc2[nH]1 ZINC000349039480 156328020 /nfs/dbraw/zinc/32/80/20/156328020.db2.gz YEDAUHUDAFFYBL-LJQANCHMSA-N 2 1 346.494 3.155 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]CCC[NH+]3C[C@@H](C)C[C@H](C)C3)c(C)n2n1 ZINC000093398468 162009095 /nfs/dbraw/zinc/00/90/95/162009095.db2.gz HYYJWUJJMMMEMT-ZOBUZTSGSA-N 2 1 343.519 3.365 20 0 EGADMP CC1(C)[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C[C@H]1c1ccccc1 ZINC000248656693 163026533 /nfs/dbraw/zinc/02/65/33/163026533.db2.gz WUSCASLFSLCYSL-SLFFLAALSA-N 2 1 330.516 3.395 20 0 EGADMP O[C@@H](C[NH2+]Cc1ccc(Sc2ccccc2)cc1)C[NH+]1CCCC1 ZINC000338332349 163214365 /nfs/dbraw/zinc/21/43/65/163214365.db2.gz SMCARGRQZDZYSC-SFHVURJKSA-N 2 1 342.508 3.384 20 0 EGADMP Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000343753942 164026766 /nfs/dbraw/zinc/02/67/66/164026766.db2.gz VCEFTQRHGARSNL-UONOGXRCSA-N 2 1 344.425 3.103 20 0 EGADMP Cn1cc(C(F)(F)F)nc1[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000343753942 164026769 /nfs/dbraw/zinc/02/67/69/164026769.db2.gz VCEFTQRHGARSNL-UONOGXRCSA-N 2 1 344.425 3.103 20 0 EGADMP Cn1cc(C(F)(F)F)nc1[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000343753942 164026772 /nfs/dbraw/zinc/02/67/72/164026772.db2.gz VCEFTQRHGARSNL-UONOGXRCSA-N 2 1 344.425 3.103 20 0 EGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H](CC2CCC2)c2ccccc2)C1 ZINC000344173922 164119566 /nfs/dbraw/zinc/11/95/66/164119566.db2.gz PTUXMVGDHSUIDF-VQTJNVASSA-N 2 1 343.515 3.095 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000345806435 164268969 /nfs/dbraw/zinc/26/89/69/164268969.db2.gz YITXHSUJXZFRDF-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+](CC)CC ZINC000346154184 164352278 /nfs/dbraw/zinc/35/22/78/164352278.db2.gz SNLAVGNXSDOIOY-GUDVDZBRSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000350953831 165085876 /nfs/dbraw/zinc/08/58/76/165085876.db2.gz XAMJBLPNTNFCMO-JKSUJKDBSA-N 2 1 331.460 3.322 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000351591372 165101772 /nfs/dbraw/zinc/10/17/72/165101772.db2.gz DKXYZQPBRIUFSZ-SJORKVTESA-N 2 1 344.421 3.447 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000351591372 165101776 /nfs/dbraw/zinc/10/17/76/165101776.db2.gz DKXYZQPBRIUFSZ-SJORKVTESA-N 2 1 344.421 3.447 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]3(C)CCC[NH2+]C3)cc2)C1 ZINC000353502767 165784239 /nfs/dbraw/zinc/78/42/39/165784239.db2.gz RDQTXJRAANEIOB-OXQOHEQNSA-N 2 1 329.488 3.247 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000356810258 166516250 /nfs/dbraw/zinc/51/62/50/166516250.db2.gz KYRVQCDRFSBEBN-IRXDYDNUSA-N 2 1 333.520 3.180 20 0 EGADMP OC[C@H](CC1CCC1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000359054599 167052472 /nfs/dbraw/zinc/05/24/72/167052472.db2.gz KYENQVJFAVWYRX-PLACYPQZSA-N 2 1 328.500 3.038 20 0 EGADMP C[N@H+]1CCN(CCC[NH2+]C[C@@H]2CC=CCC2)[C@H](c2ccccc2)C1 ZINC000359080013 167061374 /nfs/dbraw/zinc/06/13/74/167061374.db2.gz DCUDWHJAQIBFRZ-CTNGQTDRSA-N 2 1 327.516 3.311 20 0 EGADMP O=C(NC[C@@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1)Nc1ccccc1 ZINC000359195577 167091982 /nfs/dbraw/zinc/09/19/82/167091982.db2.gz UDCCSMOHNGEAHH-IBGZPJMESA-N 2 1 344.503 3.052 20 0 EGADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](CC)CC ZINC000359890708 167259685 /nfs/dbraw/zinc/25/96/85/167259685.db2.gz VUQAOOFWSFIOJB-YZGWKJHDSA-N 2 1 345.531 3.134 20 0 EGADMP O=C(CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000360567539 167359598 /nfs/dbraw/zinc/35/95/98/167359598.db2.gz FYTWGXYNRGCVRS-QFIPXVFZSA-N 2 1 349.478 3.368 20 0 EGADMP CC[NH+](CC)CCC[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000365189697 168032824 /nfs/dbraw/zinc/03/28/24/168032824.db2.gz LLVZWKJEERVNKR-UHFFFAOYSA-N 2 1 343.313 3.014 20 0 EGADMP Cn1nccc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000365927813 168060611 /nfs/dbraw/zinc/06/06/11/168060611.db2.gz MGJIPNKIQIIIHK-HMXCVIKNSA-N 2 1 338.499 3.201 20 0 EGADMP CC(C)c1cc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)nc(C(C)C)n1 ZINC000365973663 168066064 /nfs/dbraw/zinc/06/60/64/168066064.db2.gz DVTVLEKDAPRYLL-INIZCTEOSA-N 2 1 346.519 3.413 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000367123415 168181328 /nfs/dbraw/zinc/18/13/28/168181328.db2.gz RBGKADKUTMEVRM-IBGZPJMESA-N 2 1 326.488 3.224 20 0 EGADMP C[NH+](C)CCCC1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000367341792 168210921 /nfs/dbraw/zinc/21/09/21/168210921.db2.gz HDVUECODRVPQCO-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CNC(=O)c1cccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000367588281 168245084 /nfs/dbraw/zinc/24/50/84/168245084.db2.gz VVYKCVINYBMQRC-YOFSQIOKSA-N 2 1 343.515 3.129 20 0 EGADMP CC(C)CNC(=O)c1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000367588281 168245086 /nfs/dbraw/zinc/24/50/86/168245086.db2.gz VVYKCVINYBMQRC-YOFSQIOKSA-N 2 1 343.515 3.129 20 0 EGADMP CC(C)CNC(=O)c1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000367588281 168245089 /nfs/dbraw/zinc/24/50/89/168245089.db2.gz VVYKCVINYBMQRC-YOFSQIOKSA-N 2 1 343.515 3.129 20 0 EGADMP CC(C)CNC(=O)c1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000367588281 168245090 /nfs/dbraw/zinc/24/50/90/168245090.db2.gz VVYKCVINYBMQRC-YOFSQIOKSA-N 2 1 343.515 3.129 20 0 EGADMP CC(C)CNC(=O)c1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000367588281 168245092 /nfs/dbraw/zinc/24/50/92/168245092.db2.gz VVYKCVINYBMQRC-YOFSQIOKSA-N 2 1 343.515 3.129 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)C[C@H]2c2ccccc2)CC1 ZINC000367603463 168247998 /nfs/dbraw/zinc/24/79/98/168247998.db2.gz ZTGDIYQNGWCFSL-PXNSSMCTSA-N 2 1 343.515 3.059 20 0 EGADMP CSc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000367617624 168250710 /nfs/dbraw/zinc/25/07/10/168250710.db2.gz LUNDKBIWCZMUPN-GOSISDBHSA-N 2 1 333.545 3.009 20 0 EGADMP CSC1(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CCC1 ZINC000367973587 168291023 /nfs/dbraw/zinc/29/10/23/168291023.db2.gz PKRGURQDQCZIER-UHFFFAOYSA-N 2 1 337.533 3.379 20 0 EGADMP C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000274437879 267237639 /nfs/dbraw/zinc/23/76/39/267237639.db2.gz UAKSAESFQYQHQQ-MRXNPFEDSA-N 2 1 347.503 3.154 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274726671 267277781 /nfs/dbraw/zinc/27/77/81/267277781.db2.gz ARZQADIGNORHDD-DVWBAYGPSA-N 2 1 328.500 3.444 20 0 EGADMP C[NH+](C)CCCC1CCN(c2cc[nH+]cc2Br)CC1 ZINC000274925793 267308260 /nfs/dbraw/zinc/30/82/60/267308260.db2.gz PWGIQBIOTPXWDV-UHFFFAOYSA-N 2 1 326.282 3.402 20 0 EGADMP C[C@H](COCC(F)(F)F)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274966025 267312632 /nfs/dbraw/zinc/31/26/32/267312632.db2.gz XGZBIBVQTTZCGV-INMHGKMJSA-N 2 1 344.421 3.454 20 0 EGADMP C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274965987 267312647 /nfs/dbraw/zinc/31/26/47/267312647.db2.gz XGRDQEYUWIZGAP-PRCFCKQXSA-N 2 1 336.545 3.034 20 0 EGADMP C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274965987 267312649 /nfs/dbraw/zinc/31/26/49/267312649.db2.gz XGRDQEYUWIZGAP-PRCFCKQXSA-N 2 1 336.545 3.034 20 0 EGADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275507153 267371425 /nfs/dbraw/zinc/37/14/25/267371425.db2.gz JZJDWBPSSUWNOF-SJORKVTESA-N 2 1 343.471 3.074 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000277315928 267757794 /nfs/dbraw/zinc/75/77/94/267757794.db2.gz UWWDGSJMTABFHK-QGZVFWFLSA-N 2 1 328.460 3.085 20 0 EGADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CCC2 ZINC000278562270 268040491 /nfs/dbraw/zinc/04/04/91/268040491.db2.gz PDIIBUDVZBFAOA-OXJNMPFZSA-N 2 1 332.488 3.163 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H]3CCCc4occc43)CC2)nc(C)[nH+]1 ZINC000190942876 274703787 /nfs/dbraw/zinc/70/37/87/274703787.db2.gz AVNDQJVOUGPJNI-KRWDZBQOSA-N 2 1 326.444 3.322 20 0 EGADMP O[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246524587 275057560 /nfs/dbraw/zinc/05/75/60/275057560.db2.gz JBFZYZFZVJUQSA-AYOQOUSVSA-N 2 1 334.891 3.322 20 0 EGADMP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246524587 275057562 /nfs/dbraw/zinc/05/75/62/275057562.db2.gz JBFZYZFZVJUQSA-AYOQOUSVSA-N 2 1 334.891 3.322 20 0 EGADMP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246524587 275057564 /nfs/dbraw/zinc/05/75/64/275057564.db2.gz JBFZYZFZVJUQSA-AYOQOUSVSA-N 2 1 334.891 3.322 20 0 EGADMP CC[C@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[NH+](CC)CC ZINC000265577186 275234350 /nfs/dbraw/zinc/23/43/50/275234350.db2.gz UNRORZDIXCUIOG-QFBILLFUSA-N 2 1 347.503 3.139 20 0 EGADMP CC[C@@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[NH+](CC)CC ZINC000265577183 275234363 /nfs/dbraw/zinc/23/43/63/275234363.db2.gz UNRORZDIXCUIOG-LPHOPBHVSA-N 2 1 347.503 3.139 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000271919924 275241727 /nfs/dbraw/zinc/24/17/27/275241727.db2.gz ZWDQNPJROPHGCV-INIZCTEOSA-N 2 1 339.252 3.427 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272625711 275244854 /nfs/dbraw/zinc/24/48/54/275244854.db2.gz MNQYAVHDBLLPOB-LJQANCHMSA-N 2 1 332.463 3.462 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000279221794 275313840 /nfs/dbraw/zinc/31/38/40/275313840.db2.gz CWQNQIUXBLACOB-LEWJYISDSA-N 2 1 326.484 3.159 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000279754724 275356502 /nfs/dbraw/zinc/35/65/02/275356502.db2.gz QKJCONWOGHUXSC-UHFFFAOYSA-N 2 1 334.261 3.490 20 0 EGADMP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000286954850 276062653 /nfs/dbraw/zinc/06/26/53/276062653.db2.gz HPINYDPGHUAFBX-QFBILLFUSA-N 2 1 346.519 3.109 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)NC[C@@H](C)[NH+]1CCCC[C@@H]1C)c1ccccc1 ZINC000343870299 276078105 /nfs/dbraw/zinc/07/81/05/276078105.db2.gz SOGHQSDMVRXRAB-SCTDSRPQSA-N 2 1 331.504 3.059 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](C)[NH+]1CCCC[C@@H]1C)c1ccccc1 ZINC000343870299 276078106 /nfs/dbraw/zinc/07/81/06/276078106.db2.gz SOGHQSDMVRXRAB-SCTDSRPQSA-N 2 1 331.504 3.059 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000343870299 276078107 /nfs/dbraw/zinc/07/81/07/276078107.db2.gz SOGHQSDMVRXRAB-SCTDSRPQSA-N 2 1 331.504 3.059 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000343870299 276078108 /nfs/dbraw/zinc/07/81/08/276078108.db2.gz SOGHQSDMVRXRAB-SCTDSRPQSA-N 2 1 331.504 3.059 20 0 EGADMP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000287100362 276083635 /nfs/dbraw/zinc/08/36/35/276083635.db2.gz QALQSXUIMSPWRL-MOPGFXCFSA-N 2 1 344.503 3.006 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000289556693 276357637 /nfs/dbraw/zinc/35/76/37/276357637.db2.gz YEKCNEPDYISELY-LEWJYISDSA-N 2 1 329.532 3.066 20 0 EGADMP COC(=O)CCCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000289707167 276381317 /nfs/dbraw/zinc/38/13/17/276381317.db2.gz GLPOVBUCFKJQQK-XUVXKRRUSA-N 2 1 344.499 3.220 20 0 EGADMP C[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289725665 276384224 /nfs/dbraw/zinc/38/42/24/276384224.db2.gz PLMALHUNSLEBEZ-JWTNVVGKSA-N 2 1 330.472 3.389 20 0 EGADMP C[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289725665 276384225 /nfs/dbraw/zinc/38/42/25/276384225.db2.gz PLMALHUNSLEBEZ-JWTNVVGKSA-N 2 1 330.472 3.389 20 0 EGADMP C[NH+](Cc1ccc2c(c1)COC(C)(C)O2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289725665 276384226 /nfs/dbraw/zinc/38/42/26/276384226.db2.gz PLMALHUNSLEBEZ-JWTNVVGKSA-N 2 1 330.472 3.389 20 0 EGADMP C[NH+](Cc1ccc2c(c1)COC(C)(C)O2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289725665 276384228 /nfs/dbraw/zinc/38/42/28/276384228.db2.gz PLMALHUNSLEBEZ-JWTNVVGKSA-N 2 1 330.472 3.389 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](CC[C@@H](C)c2ccccc2)CC1 ZINC000289811610 276398949 /nfs/dbraw/zinc/39/89/49/276398949.db2.gz SURBKMHAOWCVIW-LJQANCHMSA-N 2 1 348.531 3.239 20 0 EGADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000361473366 277353807 /nfs/dbraw/zinc/35/38/07/277353807.db2.gz APVWVOBKEPTCRC-FGTMMUONSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000337812564 277387602 /nfs/dbraw/zinc/38/76/02/277387602.db2.gz NAIINMSFFTVVFU-MRXNPFEDSA-N 2 1 335.458 3.113 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000337812564 277387605 /nfs/dbraw/zinc/38/76/05/277387605.db2.gz NAIINMSFFTVVFU-MRXNPFEDSA-N 2 1 335.458 3.113 20 0 EGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccncc1 ZINC000245546877 278345315 /nfs/dbraw/zinc/34/53/15/278345315.db2.gz VWQUOTAREMFTCB-NQIIRXRSSA-N 2 1 338.499 3.111 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC000340587686 279042682 /nfs/dbraw/zinc/04/26/82/279042682.db2.gz DVKPPJFGKLKALN-SJLPKXTDSA-N 2 1 345.512 3.160 20 0 EGADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000357111421 279137160 /nfs/dbraw/zinc/13/71/60/279137160.db2.gz NUCYITKQUMZVOX-FGTMMUONSA-N 2 1 345.531 3.406 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC000362646662 279154093 /nfs/dbraw/zinc/15/40/93/279154093.db2.gz QAQVRQVYNZEMSA-QUCCMNQESA-N 2 1 345.531 3.164 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1)C(C)C ZINC000262755800 279234630 /nfs/dbraw/zinc/23/46/30/279234630.db2.gz OTUWDNZWNFTZNC-LPHOPBHVSA-N 2 1 331.504 3.259 20 0 EGADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000356272695 279305104 /nfs/dbraw/zinc/30/51/04/279305104.db2.gz WLAMBEDNBKGEEI-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000360122732 279366704 /nfs/dbraw/zinc/36/67/04/279366704.db2.gz FMQWGLRWDHJRGF-QGZVFWFLSA-N 2 1 340.556 3.059 20 0 EGADMP CC[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[NH+](CC)CC ZINC000344211438 280078486 /nfs/dbraw/zinc/07/84/86/280078486.db2.gz BKIJSMCCBARTEE-DLBZAZTESA-N 2 1 339.911 3.179 20 0 EGADMP Cc1nc2c(s1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)CCC2 ZINC000305768517 282042586 /nfs/dbraw/zinc/04/25/86/282042586.db2.gz KWVNKNOANVOEIH-KZNAEPCWSA-N 2 1 349.544 3.186 20 0 EGADMP COc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000248062698 295241918 /nfs/dbraw/zinc/24/19/18/295241918.db2.gz YXFOXFIKUODBDI-NLEAXPPASA-N 2 1 345.531 3.150 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)N2CCCC2)cc1 ZINC000248062698 295241919 /nfs/dbraw/zinc/24/19/19/295241919.db2.gz YXFOXFIKUODBDI-NLEAXPPASA-N 2 1 345.531 3.150 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)N2CCCC2)cc1 ZINC000248062698 295241921 /nfs/dbraw/zinc/24/19/21/295241921.db2.gz YXFOXFIKUODBDI-NLEAXPPASA-N 2 1 345.531 3.150 20 0 EGADMP C[C@@H](CCn1cccn1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000158779463 533694794 /nfs/dbraw/zinc/69/47/94/533694794.db2.gz ZWZCNNJZWFIKEG-DLBZAZTESA-N 2 1 332.517 3.225 20 0 EGADMP C[C@@H](CCn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000158779463 533694806 /nfs/dbraw/zinc/69/48/06/533694806.db2.gz ZWZCNNJZWFIKEG-DLBZAZTESA-N 2 1 332.517 3.225 20 0 EGADMP C[C@@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)C1=CC[N@@H+](C)CC1 ZINC000413715890 309044649 /nfs/dbraw/zinc/04/46/49/309044649.db2.gz LBNYYZNFPHYRAZ-QGZVFWFLSA-N 2 1 341.499 3.053 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000072858980 307382972 /nfs/dbraw/zinc/38/29/72/307382972.db2.gz RDBQRJTVUCLXQT-CQSZACIVSA-N 2 1 330.394 3.401 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000072858980 307382973 /nfs/dbraw/zinc/38/29/73/307382973.db2.gz RDBQRJTVUCLXQT-CQSZACIVSA-N 2 1 330.394 3.401 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000072858980 307382974 /nfs/dbraw/zinc/38/29/74/307382974.db2.gz RDBQRJTVUCLXQT-CQSZACIVSA-N 2 1 330.394 3.401 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000072858980 307382975 /nfs/dbraw/zinc/38/29/75/307382975.db2.gz RDBQRJTVUCLXQT-CQSZACIVSA-N 2 1 330.394 3.401 20 0 EGADMP COC(=O)[C@H](C)[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccccc1 ZINC000129195400 307611336 /nfs/dbraw/zinc/61/13/36/307611336.db2.gz PENDGSXFWLHZPC-CRAIPNDOSA-N 2 1 329.444 3.112 20 0 EGADMP CC[C@@]1(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000134567968 307690001 /nfs/dbraw/zinc/69/00/01/307690001.db2.gz OKCAVJQSEXGTIC-HKUYNNGSSA-N 2 1 349.906 3.125 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000248547224 308005331 /nfs/dbraw/zinc/00/53/31/308005331.db2.gz GAYHQLPOQVPIQG-JRGCBEDISA-N 3 1 329.532 3.217 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000248547224 308005332 /nfs/dbraw/zinc/00/53/32/308005332.db2.gz GAYHQLPOQVPIQG-JRGCBEDISA-N 3 1 329.532 3.217 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C2CC2)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000248547224 308005334 /nfs/dbraw/zinc/00/53/34/308005334.db2.gz GAYHQLPOQVPIQG-JRGCBEDISA-N 2 1 329.532 3.217 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C2CC2)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000248547224 308005335 /nfs/dbraw/zinc/00/53/35/308005335.db2.gz GAYHQLPOQVPIQG-JRGCBEDISA-N 2 1 329.532 3.217 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248589090 308006320 /nfs/dbraw/zinc/00/63/20/308006320.db2.gz QSLGJIYQOHRPPK-YDZRNGNQSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248589090 308006321 /nfs/dbraw/zinc/00/63/21/308006321.db2.gz QSLGJIYQOHRPPK-YDZRNGNQSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@H](C)CCC)CC1 ZINC000249833400 308028727 /nfs/dbraw/zinc/02/87/27/308028727.db2.gz VENLDGPXRKSFSS-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)[C@@H](C)C1 ZINC000272315528 308066874 /nfs/dbraw/zinc/06/68/74/308066874.db2.gz USNPXXGFSSFRAD-UWJYYQICSA-N 2 1 345.531 3.033 20 0 EGADMP COC(=O)c1cc2cc(CN3CC[C@]4(C3)CCC[N@@H+](C)C4)ccc2o1 ZINC000293007723 308089298 /nfs/dbraw/zinc/08/92/98/308089298.db2.gz PMNVCOLUKXTPFW-HXUWFJFHSA-N 2 1 342.439 3.137 20 0 EGADMP COC(=O)c1cc2cc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)ccc2o1 ZINC000293007723 308089300 /nfs/dbraw/zinc/08/93/00/308089300.db2.gz PMNVCOLUKXTPFW-HXUWFJFHSA-N 2 1 342.439 3.137 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)ccc2o1 ZINC000293007723 308089302 /nfs/dbraw/zinc/08/93/02/308089302.db2.gz PMNVCOLUKXTPFW-HXUWFJFHSA-N 2 1 342.439 3.137 20 0 EGADMP C[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000293259960 308114743 /nfs/dbraw/zinc/11/47/43/308114743.db2.gz GBQCPJUMCYFIOY-DLBZAZTESA-N 2 1 331.504 3.304 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000293259960 308114744 /nfs/dbraw/zinc/11/47/44/308114744.db2.gz GBQCPJUMCYFIOY-DLBZAZTESA-N 2 1 331.504 3.304 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000293259960 308114745 /nfs/dbraw/zinc/11/47/45/308114745.db2.gz GBQCPJUMCYFIOY-DLBZAZTESA-N 2 1 331.504 3.304 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)C1 ZINC000293801200 308163181 /nfs/dbraw/zinc/16/31/81/308163181.db2.gz RCWLUBSAZQDTOU-SJORKVTESA-N 2 1 345.487 3.416 20 0 EGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000294448517 308221875 /nfs/dbraw/zinc/22/18/75/308221875.db2.gz YBXGORNMMLBOQP-RXVVDRJESA-N 2 1 338.495 3.477 20 0 EGADMP CC(C)c1nc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n[nH]1 ZINC000294769535 308254681 /nfs/dbraw/zinc/25/46/81/308254681.db2.gz KAJPOTGITPVURV-NVXWUHKLSA-N 2 1 327.476 3.071 20 0 EGADMP OC[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000295897475 308372108 /nfs/dbraw/zinc/37/21/08/308372108.db2.gz YUQIWZFHOZWBPK-KNOXWWKRSA-N 2 1 342.527 3.428 20 0 EGADMP C[C@@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@H]1[NH3+] ZINC000414711703 309096730 /nfs/dbraw/zinc/09/67/30/309096730.db2.gz MKNCVMXAIFDCON-CRAIPNDOSA-N 2 1 344.503 3.262 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OCc1ccccc1 ZINC000414664871 309094290 /nfs/dbraw/zinc/09/42/90/309094290.db2.gz ULEBZAWSNZULCU-APWZRJJASA-N 2 1 340.467 3.443 20 0 EGADMP C[C@@H](CCn1cccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000158934274 533697210 /nfs/dbraw/zinc/69/72/10/533697210.db2.gz FMSDZHJUOBYVNG-CMKODMSKSA-N 2 1 326.488 3.304 20 0 EGADMP C[C@@H](CCn1cccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000158934274 533697224 /nfs/dbraw/zinc/69/72/24/533697224.db2.gz FMSDZHJUOBYVNG-CMKODMSKSA-N 2 1 326.488 3.304 20 0 EGADMP CCCOc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414773092 309099881 /nfs/dbraw/zinc/09/98/81/309099881.db2.gz CWQZMECIOQCCMJ-ZWKOTPCHSA-N 2 1 332.488 3.306 20 0 EGADMP CCCOc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414773091 309099957 /nfs/dbraw/zinc/09/99/57/309099957.db2.gz CWQZMECIOQCCMJ-ROUUACIJSA-N 2 1 332.488 3.306 20 0 EGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OCC ZINC000414779857 309100648 /nfs/dbraw/zinc/10/06/48/309100648.db2.gz KSFJJURLLFIIHF-QZTJIDSGSA-N 2 1 332.488 3.306 20 0 EGADMP CCCn1c2ccccc2nc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414782884 309100817 /nfs/dbraw/zinc/10/08/17/309100817.db2.gz PFOKCTFTJLRWBC-IAGOWNOFSA-N 2 1 326.488 3.268 20 0 EGADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000414785877 309101142 /nfs/dbraw/zinc/10/11/42/309101142.db2.gz AACNWSBJDUNZTH-HXUWFJFHSA-N 2 1 349.482 3.066 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1OC(C)C ZINC000414789777 309101419 /nfs/dbraw/zinc/10/14/19/309101419.db2.gz YYSGDDOBGXOBEO-SJORKVTESA-N 2 1 332.488 3.304 20 0 EGADMP CC(C)([NH3+])C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000414798128 309102090 /nfs/dbraw/zinc/10/20/90/309102090.db2.gz DYQJUYIZDXFVTD-UHFFFAOYSA-N 2 1 336.071 3.039 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000414814872 309103374 /nfs/dbraw/zinc/10/33/74/309103374.db2.gz OLBVDHJPMCFWJD-OCCSQVGLSA-N 2 1 341.883 3.173 20 0 EGADMP CC(C)c1ccc([C@@H]([NH3+])CNCc2ncc(C[NH+](C)C)s2)cc1 ZINC000414821479 309103756 /nfs/dbraw/zinc/10/37/56/309103756.db2.gz CGMKZEQVSGXZLE-KRWDZBQOSA-N 2 1 332.517 3.118 20 0 EGADMP [NH3+]C1(C[NH2+]Cc2cccc(OCc3ccccn3)c2)CCCCC1 ZINC000414839866 309104839 /nfs/dbraw/zinc/10/48/39/309104839.db2.gz JULUXULCTSQZMJ-UHFFFAOYSA-N 2 1 325.456 3.412 20 0 EGADMP Cc1ccc2c(C)cc(N3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)[nH+]c2c1 ZINC000333818593 308869023 /nfs/dbraw/zinc/86/90/23/308869023.db2.gz HDIXLDFVIILRCE-XLIONFOSSA-N 2 1 325.456 3.184 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1OC(C)C ZINC000415038652 309115923 /nfs/dbraw/zinc/11/59/23/309115923.db2.gz IDQAOSHOBCWFFO-QZTJIDSGSA-N 2 1 332.488 3.446 20 0 EGADMP CCn1c2ccccc2c2cc(C[NH2+]C[C@H]3C[NH2+]CCCO3)ccc21 ZINC000415049459 309116449 /nfs/dbraw/zinc/11/64/49/309116449.db2.gz YCWBQFGJXWCFCG-QGZVFWFLSA-N 2 1 337.467 3.283 20 0 EGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c(Cl)c1 ZINC000415065040 309117998 /nfs/dbraw/zinc/11/79/98/309117998.db2.gz MBWGENUBHDHEIX-DYVFJYSZSA-N 2 1 337.895 3.473 20 0 EGADMP CC(C)CC(=O)N1CCC([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000415080311 309118822 /nfs/dbraw/zinc/11/88/22/309118822.db2.gz IWGOXIZXUCFOBT-PMACEKPBSA-N 2 1 343.515 3.106 20 0 EGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000415083582 309119135 /nfs/dbraw/zinc/11/91/35/309119135.db2.gz PXWZPMHTIXBHFZ-ZFWWWQNUSA-N 2 1 345.409 3.423 20 0 EGADMP Clc1cccnc1OCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415086794 309119262 /nfs/dbraw/zinc/11/92/62/309119262.db2.gz KFNBIRNQEKKRGX-WBVHZDCISA-N 2 1 331.847 3.197 20 0 EGADMP COc1ccc(OCC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415088327 309119588 /nfs/dbraw/zinc/11/95/88/309119588.db2.gz LSIGIXYILXFVBJ-YLJYHZDGSA-N 2 1 326.440 3.157 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCCCc2cccc(C(F)(F)F)c2)CCCO1 ZINC000415108592 309120933 /nfs/dbraw/zinc/12/09/33/309120933.db2.gz MNXNTRZABYFHIK-MRXNPFEDSA-N 2 1 330.394 3.078 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@@H]1C[NH3+] ZINC000415138281 309123294 /nfs/dbraw/zinc/12/32/94/309123294.db2.gz YUXZPYKIYJAYON-APWZRJJASA-N 2 1 325.456 3.077 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000415928837 309149324 /nfs/dbraw/zinc/14/93/24/309149324.db2.gz GDFYGPZPGFYJRD-HOTGVXAUSA-N 2 1 332.492 3.038 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)n(C)n1 ZINC000417874090 309226224 /nfs/dbraw/zinc/22/62/24/309226224.db2.gz OZNOASTXTQLOQV-KRWDZBQOSA-N 2 1 326.488 3.393 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420297271 309279959 /nfs/dbraw/zinc/27/99/59/309279959.db2.gz YKTGBWSIZCMXQD-QWHCGFSZSA-N 2 1 332.469 3.247 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420297271 309279960 /nfs/dbraw/zinc/27/99/60/309279960.db2.gz YKTGBWSIZCMXQD-QWHCGFSZSA-N 2 1 332.469 3.247 20 0 EGADMP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420297483 309280016 /nfs/dbraw/zinc/28/00/16/309280016.db2.gz FYMZQIVEXAPHJA-QAJUQPOASA-N 2 1 342.458 3.140 20 0 EGADMP COc1cccc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)C2CCC(O)CC2)c1 ZINC000420299535 309280101 /nfs/dbraw/zinc/28/01/01/309280101.db2.gz IXLFGZJPSNEFOK-QHGAOEGBSA-N 2 1 346.515 3.190 20 0 EGADMP COc1cc(C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)c(SC)cc1OC ZINC000420298848 309280295 /nfs/dbraw/zinc/28/02/95/309280295.db2.gz IANQYZKRSIPDLH-AWEZNQCLSA-N 2 1 338.517 3.247 20 0 EGADMP CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(Cl)cc1 ZINC000420302571 309280509 /nfs/dbraw/zinc/28/05/09/309280509.db2.gz MRDPGBOKILMBAC-OAHLLOKOSA-N 2 1 337.895 3.380 20 0 EGADMP OCCC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(Cl)c(Cl)c1 ZINC000420302267 309280561 /nfs/dbraw/zinc/28/05/61/309280561.db2.gz JKQUXHSTXCAZMT-CYBMUJFWSA-N 2 1 331.287 3.177 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420312453 309281260 /nfs/dbraw/zinc/28/12/60/309281260.db2.gz IQCLIVUPUDJDGV-SFHVURJKSA-N 2 1 330.863 3.276 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420312453 309281261 /nfs/dbraw/zinc/28/12/61/309281261.db2.gz IQCLIVUPUDJDGV-SFHVURJKSA-N 2 1 330.863 3.276 20 0 EGADMP COc1ccccc1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CCCO1 ZINC000420320026 309281946 /nfs/dbraw/zinc/28/19/46/309281946.db2.gz QBSQDMCCGXQUSR-IEBWSBKVSA-N 2 1 332.488 3.066 20 0 EGADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000420331109 309282535 /nfs/dbraw/zinc/28/25/35/309282535.db2.gz BOAZGKKXQRSGPU-QZTJIDSGSA-N 2 1 337.467 3.100 20 0 EGADMP c1csc(-c2noc(CCC[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420334798 309282829 /nfs/dbraw/zinc/28/28/29/309282829.db2.gz GNINZORRZPDGEK-CABCVRRESA-N 2 1 346.500 3.052 20 0 EGADMP FC(F)n1c2ccccc2nc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420338134 309283116 /nfs/dbraw/zinc/28/31/16/309283116.db2.gz OWHCVCYWYPINBZ-CQSZACIVSA-N 2 1 334.414 3.395 20 0 EGADMP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345770 309283498 /nfs/dbraw/zinc/28/34/98/309283498.db2.gz WOQHCZBLUBCYQB-SJORKVTESA-N 2 1 343.515 3.244 20 0 EGADMP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420344059 309283524 /nfs/dbraw/zinc/28/35/24/309283524.db2.gz RVRDGXOYAPOXQI-ARFHVFGLSA-N 2 1 347.528 3.057 20 0 EGADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420346857 309283563 /nfs/dbraw/zinc/28/35/63/309283563.db2.gz ZGTXZTQFGJUIPM-YESZJQIVSA-N 2 1 340.471 3.428 20 0 EGADMP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420370170 309284644 /nfs/dbraw/zinc/28/46/44/309284644.db2.gz YPKNMCQQRJTJGH-ACRUOGEOSA-N 2 1 344.474 3.386 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CC[C@H]4CCC[NH2+]C4)CC[C@@H]32)cc1 ZINC000420367677 309284685 /nfs/dbraw/zinc/28/46/85/309284685.db2.gz HIQRHSUSFBJAGX-FCEUIQTBSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CC[C@H]4CCC[NH2+]C4)CC[C@@H]32)cc1 ZINC000420367677 309284686 /nfs/dbraw/zinc/28/46/86/309284686.db2.gz HIQRHSUSFBJAGX-FCEUIQTBSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CC[C@H]4CCC[NH2+]C4)CC[C@@H]32)cc1 ZINC000420367677 309284687 /nfs/dbraw/zinc/28/46/87/309284687.db2.gz HIQRHSUSFBJAGX-FCEUIQTBSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3CN(CC[C@H]4CCC[NH2+]C4)CC[C@@H]32)cc1 ZINC000420367677 309284688 /nfs/dbraw/zinc/28/46/88/309284688.db2.gz HIQRHSUSFBJAGX-FCEUIQTBSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(CC[C@H]4CCC[NH2+]C4)CC[C@@H]32)cc1 ZINC000420367677 309284689 /nfs/dbraw/zinc/28/46/89/309284689.db2.gz HIQRHSUSFBJAGX-FCEUIQTBSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CCC4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000420374170 309285041 /nfs/dbraw/zinc/28/50/41/309285041.db2.gz NONRJNIAKYWLIN-VXKWHMMOSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CCC4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000420374170 309285042 /nfs/dbraw/zinc/28/50/42/309285042.db2.gz NONRJNIAKYWLIN-VXKWHMMOSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CCC4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000420374170 309285043 /nfs/dbraw/zinc/28/50/43/309285043.db2.gz NONRJNIAKYWLIN-VXKWHMMOSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H]3CN(CCC4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000420374170 309285044 /nfs/dbraw/zinc/28/50/44/309285044.db2.gz NONRJNIAKYWLIN-VXKWHMMOSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H]3CN(CCC4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000420374170 309285045 /nfs/dbraw/zinc/28/50/45/309285045.db2.gz NONRJNIAKYWLIN-VXKWHMMOSA-N 2 1 341.543 3.363 20 0 EGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000420377000 309285112 /nfs/dbraw/zinc/28/51/12/309285112.db2.gz KKRSVOFKUHUTQT-KBXCAEBGSA-N 2 1 347.484 3.121 20 0 EGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000420382213 309285609 /nfs/dbraw/zinc/28/56/09/309285609.db2.gz ZNFSMUZNEWEXHP-WQGACYEGSA-N 2 1 343.393 3.010 20 0 EGADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1Cc2ccccc2C1 ZINC000420900968 309299965 /nfs/dbraw/zinc/29/99/65/309299965.db2.gz JDMGUHKFMMRZKR-UHFFFAOYSA-N 2 1 336.479 3.118 20 0 EGADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1Cc2ccccc2C1 ZINC000420900968 309299966 /nfs/dbraw/zinc/29/99/66/309299966.db2.gz JDMGUHKFMMRZKR-UHFFFAOYSA-N 2 1 336.479 3.118 20 0 EGADMP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420924133 309301295 /nfs/dbraw/zinc/30/12/95/309301295.db2.gz RYIOPEXLQFFCNG-LEWJYISDSA-N 2 1 346.515 3.202 20 0 EGADMP c1cncc(C2=CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000420962674 309304620 /nfs/dbraw/zinc/30/46/20/309304620.db2.gz KTTQSHPAEOQDCM-UHFFFAOYSA-N 2 1 349.478 3.203 20 0 EGADMP c1cncc(C2=CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000420962674 309304621 /nfs/dbraw/zinc/30/46/21/309304621.db2.gz KTTQSHPAEOQDCM-UHFFFAOYSA-N 2 1 349.478 3.203 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(C)c3C)CC2)CC1 ZINC000421367203 309320680 /nfs/dbraw/zinc/32/06/80/309320680.db2.gz DUNSSOUCUIXEFO-UHFFFAOYSA-N 2 1 329.532 3.295 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C/C=C\c3ccc(F)cc3)CC2)CC1 ZINC000421369335 309320986 /nfs/dbraw/zinc/32/09/86/309320986.db2.gz HITCXLRSNIKQIH-HYXAFXHYSA-N 2 1 345.506 3.331 20 0 EGADMP COC1([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)CCCCC1 ZINC000421828233 309342007 /nfs/dbraw/zinc/34/20/07/309342007.db2.gz BSCIGXFCKMLDID-INIZCTEOSA-N 2 1 346.519 3.390 20 0 EGADMP CON1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000421875118 309344535 /nfs/dbraw/zinc/34/45/35/309344535.db2.gz JPNITARJVPCRRL-NJYVYQBISA-N 2 1 343.515 3.045 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C[C@@H]1C[NH3+] ZINC000422641851 309363057 /nfs/dbraw/zinc/36/30/57/309363057.db2.gz YMZCEYFOZBFFNM-AGIUHOORSA-N 2 1 341.858 3.113 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1OC ZINC000422699859 309363570 /nfs/dbraw/zinc/36/35/70/309363570.db2.gz BKKIDMSUMHVAPC-LSDHHAIUSA-N 2 1 326.868 3.497 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000422709697 309364142 /nfs/dbraw/zinc/36/41/42/309364142.db2.gz ZPSGOCNSFOIUSR-SUMWQHHRSA-N 2 1 346.858 3.159 20 0 EGADMP C[C@H]([NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000422711199 309364196 /nfs/dbraw/zinc/36/41/96/309364196.db2.gz GTHKFUSUPVHHLG-LIRRHRJNSA-N 2 1 338.430 3.114 20 0 EGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCCC3=O)cc2)c2ccccc21 ZINC000422710453 309364216 /nfs/dbraw/zinc/36/42/16/309364216.db2.gz FUBNHRJZDRKJLJ-VQTJNVASSA-N 2 1 335.451 3.043 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422740504 309365998 /nfs/dbraw/zinc/36/59/98/309365998.db2.gz MWIWSECJONVTIS-KKXYHZGYSA-N 2 1 337.511 3.370 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)N(C)C ZINC000422747556 309366548 /nfs/dbraw/zinc/36/65/48/309366548.db2.gz QKBRYTPIAFUTNM-OTWHNJEPSA-N 2 1 325.456 3.032 20 0 EGADMP COc1ccccc1[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)[NH+](C)C ZINC000422747556 309366549 /nfs/dbraw/zinc/36/65/49/309366549.db2.gz QKBRYTPIAFUTNM-OTWHNJEPSA-N 2 1 325.456 3.032 20 0 EGADMP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000422758836 309366963 /nfs/dbraw/zinc/36/69/63/309366963.db2.gz KCYGGPMMEUTPCQ-QXULXFAOSA-N 2 1 328.378 3.266 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)cc1 ZINC000422773296 309367485 /nfs/dbraw/zinc/36/74/85/309367485.db2.gz ZSFUKNWWPYTSKG-FKBYEOEOSA-N 2 1 335.495 3.344 20 0 EGADMP COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422774598 309367741 /nfs/dbraw/zinc/36/77/41/309367741.db2.gz XPDPFSKIJDAEIL-GDBMZVCRSA-N 2 1 336.476 3.113 20 0 EGADMP CCc1cnc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000422795425 309368722 /nfs/dbraw/zinc/36/87/22/309368722.db2.gz VMSMFOPGMFWOSB-QAPCUYQASA-N 2 1 329.469 3.051 20 0 EGADMP C[NH+](C)CCOc1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422822440 309370444 /nfs/dbraw/zinc/37/04/44/309370444.db2.gz KAEPVHPXYZVZOO-HSALFYBXSA-N 2 1 345.531 3.027 20 0 EGADMP Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Oc1cccnc1 ZINC000422907078 309375637 /nfs/dbraw/zinc/37/56/37/309375637.db2.gz WKSMSVCLWVAULE-XYPWUTKMSA-N 2 1 327.403 3.386 20 0 EGADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000423040624 309382317 /nfs/dbraw/zinc/38/23/17/309382317.db2.gz HQWBFJXKDJMESU-QEJZJMRPSA-N 2 1 330.476 3.035 20 0 EGADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000423040621 309382431 /nfs/dbraw/zinc/38/24/31/309382431.db2.gz HQWBFJXKDJMESU-AEGPPILISA-N 2 1 330.476 3.035 20 0 EGADMP C[NH+](C)[C@H](CN[C@H]1CCC[C@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423053513 309383203 /nfs/dbraw/zinc/38/32/03/309383203.db2.gz SRDQSKIOBNIRGP-CWRNSKLLSA-N 2 1 329.410 3.025 20 0 EGADMP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000423058729 309383580 /nfs/dbraw/zinc/38/35/80/309383580.db2.gz KGXNGWOFZVGFLW-FCMAGTKHSA-N 2 1 328.500 3.145 20 0 EGADMP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])cc2)c1 ZINC000423112093 309386504 /nfs/dbraw/zinc/38/65/04/309386504.db2.gz XBEVCRIQAGMPDM-VQTJNVASSA-N 2 1 342.439 3.466 20 0 EGADMP Cc1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc(N2CCCC2)n1 ZINC000423121928 309387059 /nfs/dbraw/zinc/38/70/59/309387059.db2.gz JWELRGXGVPKZBK-YLJYHZDGSA-N 2 1 338.499 3.038 20 0 EGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423158935 309388644 /nfs/dbraw/zinc/38/86/44/309388644.db2.gz XLLOJJYFMVTQRZ-ACJLOTCBSA-N 2 1 336.838 3.406 20 0 EGADMP Fc1cccc(-n2cccn2)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423165831 309388984 /nfs/dbraw/zinc/38/89/84/309388984.db2.gz UYCSJWVWCJNWBF-ATZDWAIDSA-N 2 1 342.462 3.412 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000423211989 309390657 /nfs/dbraw/zinc/39/06/57/309390657.db2.gz LJERYHAYGWHXBY-RYUDHWBXSA-N 2 1 327.266 3.108 20 0 EGADMP C[C@@H](N[C@@H](C[NH3+])C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423272182 309393436 /nfs/dbraw/zinc/39/34/36/309393436.db2.gz YWXIAZWEYBDXFR-UZLBHIALSA-N 2 1 333.520 3.185 20 0 EGADMP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000423320125 309395009 /nfs/dbraw/zinc/39/50/09/309395009.db2.gz DCFVMCJXIAHAKT-MDZRGWNJSA-N 2 1 329.488 3.388 20 0 EGADMP [NH3+][C@@H](C[NH2+][C@@H]1CCSc2ccc(Br)cc21)C1CC1 ZINC000423323288 309395131 /nfs/dbraw/zinc/39/51/31/309395131.db2.gz OVJCRATXSZNSKR-QWHCGFSZSA-N 2 1 327.291 3.313 20 0 EGADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423321132 309395144 /nfs/dbraw/zinc/39/51/44/309395144.db2.gz MUHMHYOGMTWIDR-UXHICEINSA-N 2 1 328.431 3.445 20 0 EGADMP COC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423321096 309395153 /nfs/dbraw/zinc/39/51/53/309395153.db2.gz GCOXARVFBFQLBQ-HOTGVXAUSA-N 2 1 330.394 3.372 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000423330985 309395630 /nfs/dbraw/zinc/39/56/30/309395630.db2.gz OAPJKDATFNOWNT-SCTDSRPQSA-N 2 1 337.552 3.158 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000423365433 309397117 /nfs/dbraw/zinc/39/71/17/309397117.db2.gz BGFAPEHJWCBPJW-ISTVAULSSA-N 2 1 327.241 3.435 20 0 EGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423364281 309397168 /nfs/dbraw/zinc/39/71/68/309397168.db2.gz BBLCSXSTYZJPLM-JZXOWHBKSA-N 2 1 331.504 3.092 20 0 EGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423373927 309397778 /nfs/dbraw/zinc/39/77/78/309397778.db2.gz WSMMPYCDZMMTJO-WMZOPIPTSA-N 2 1 345.531 3.339 20 0 EGADMP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H](C)[NH3+] ZINC000423389209 309398082 /nfs/dbraw/zinc/39/80/82/309398082.db2.gz LGXCANLAHCERBQ-XEYPJELSSA-N 2 1 345.531 3.117 20 0 EGADMP Cn1cc([C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)c2cccc(F)c2)cn1 ZINC000423401201 309398709 /nfs/dbraw/zinc/39/87/09/309398709.db2.gz VWNKNADVKYUESD-HXUWFJFHSA-N 2 1 336.414 3.042 20 0 EGADMP Fc1c(Cl)cccc1C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424294379 309437033 /nfs/dbraw/zinc/43/70/33/309437033.db2.gz QBYJMKGPPOWNKD-UHFFFAOYSA-N 2 1 334.826 3.116 20 0 EGADMP Fc1cc(Cl)cc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c1 ZINC000424369360 309440625 /nfs/dbraw/zinc/44/06/25/309440625.db2.gz BHEIPYLJVKNFEF-UHFFFAOYSA-N 2 1 334.826 3.116 20 0 EGADMP Cc1cc(F)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(F)c1 ZINC000425337524 309474137 /nfs/dbraw/zinc/47/41/37/309474137.db2.gz NTFMKCUGSDMRKO-UHFFFAOYSA-N 2 1 338.442 3.350 20 0 EGADMP COc1ccccc1-n1nccc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000430019718 309594790 /nfs/dbraw/zinc/59/47/90/309594790.db2.gz IHWAKAVLJZEJFG-UHFFFAOYSA-N 2 1 344.503 3.479 20 0 EGADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000430547295 309610332 /nfs/dbraw/zinc/61/03/32/309610332.db2.gz KRAJGEPGKPKHOU-UHFFFAOYSA-N 2 1 331.504 3.244 20 0 EGADMP C[C@@H]([NH3+])C1CC[NH+](Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000430969228 309622379 /nfs/dbraw/zinc/62/23/79/309622379.db2.gz YYZGYSWMVMDYNT-CYBMUJFWSA-N 2 1 349.475 3.420 20 0 EGADMP C[C@H](C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1cc(F)cc(F)c1 ZINC000449052254 310033233 /nfs/dbraw/zinc/03/32/33/310033233.db2.gz YVQXVBSYMBTVPV-BYNBJNPRSA-N 2 1 338.442 3.252 20 0 EGADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1cc(F)cc(F)c1 ZINC000449052254 310033234 /nfs/dbraw/zinc/03/32/34/310033234.db2.gz YVQXVBSYMBTVPV-BYNBJNPRSA-N 2 1 338.442 3.252 20 0 EGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000449123388 310038704 /nfs/dbraw/zinc/03/87/04/310038704.db2.gz CDRDDFZMKOAEIB-WOJBJXKFSA-N 2 1 346.515 3.387 20 0 EGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000449123388 310038705 /nfs/dbraw/zinc/03/87/05/310038705.db2.gz CDRDDFZMKOAEIB-WOJBJXKFSA-N 2 1 346.515 3.387 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449130284 310039036 /nfs/dbraw/zinc/03/90/36/310039036.db2.gz GJRKLPFKDODPGW-INIZCTEOSA-N 2 1 344.478 3.436 20 0 EGADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000449312620 310052514 /nfs/dbraw/zinc/05/25/14/310052514.db2.gz RHGVFVAMUHMPHK-CRAIPNDOSA-N 2 1 329.488 3.245 20 0 EGADMP C[N@H+](Cc1ccc2c(c1)OCCCCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000449323866 310053510 /nfs/dbraw/zinc/05/35/10/310053510.db2.gz XKWPSEPMQUHZNP-JWTNVVGKSA-N 2 1 330.472 3.295 20 0 EGADMP C[N@@H+](Cc1ccc2c(c1)OCCCCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000449323866 310053511 /nfs/dbraw/zinc/05/35/11/310053511.db2.gz XKWPSEPMQUHZNP-JWTNVVGKSA-N 2 1 330.472 3.295 20 0 EGADMP C[NH+](Cc1ccc2c(c1)OCCCCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449323866 310053512 /nfs/dbraw/zinc/05/35/12/310053512.db2.gz XKWPSEPMQUHZNP-JWTNVVGKSA-N 2 1 330.472 3.295 20 0 EGADMP C[NH+](Cc1ccc2c(c1)OCCCCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449323866 310053513 /nfs/dbraw/zinc/05/35/13/310053513.db2.gz XKWPSEPMQUHZNP-JWTNVVGKSA-N 2 1 330.472 3.295 20 0 EGADMP CCN(C)C(=O)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(C)C ZINC000449442095 310062392 /nfs/dbraw/zinc/06/23/92/310062392.db2.gz WGNTYXCNJHFMIX-NEWSRXKRSA-N 2 1 337.552 3.122 20 0 EGADMP COc1cc(C)c(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000449560672 310072225 /nfs/dbraw/zinc/07/22/25/310072225.db2.gz OGEDZBBNBGNSLH-CCNLRDMRSA-N 2 1 332.488 3.158 20 0 EGADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000450049812 310100690 /nfs/dbraw/zinc/10/06/90/310100690.db2.gz RDFVEYJQUDLOQH-HXUWFJFHSA-N 2 1 347.547 3.307 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000450326633 310115722 /nfs/dbraw/zinc/11/57/22/310115722.db2.gz IIJHSWIKSUYAJU-FGTMMUONSA-N 2 1 343.506 3.302 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)c(OC)c2)C1 ZINC000450459091 310123954 /nfs/dbraw/zinc/12/39/54/310123954.db2.gz ZOXGXXVQTHZDMQ-INIZCTEOSA-N 2 1 340.895 3.281 20 0 EGADMP CC(C)c1nnc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000450641030 310134579 /nfs/dbraw/zinc/13/45/79/310134579.db2.gz NBUXKARNUIOTCR-UHFFFAOYSA-N 2 1 345.516 3.405 20 0 EGADMP CC(C)c1nnc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000450641030 310134580 /nfs/dbraw/zinc/13/45/80/310134580.db2.gz NBUXKARNUIOTCR-UHFFFAOYSA-N 2 1 345.516 3.405 20 0 EGADMP C[C@H]1CN(CCC[NH+]2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000451713640 310194087 /nfs/dbraw/zinc/19/40/87/310194087.db2.gz UWLMIBJLLZGJNK-FQEVSTJZSA-N 2 1 329.532 3.316 20 0 EGADMP Cc1c([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)nnn1-c1ccccc1 ZINC000453406450 310275347 /nfs/dbraw/zinc/27/53/47/310275347.db2.gz QYZINVYHSHJLLB-HNNXBMFYSA-N 2 1 327.476 3.101 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000453408747 310275592 /nfs/dbraw/zinc/27/55/92/310275592.db2.gz SWTUXQGXVSCHJW-OAHLLOKOSA-N 2 1 344.503 3.496 20 0 EGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCCC[N@@H+](C)C3CC3)ccc21 ZINC000455846498 310379274 /nfs/dbraw/zinc/37/92/74/310379274.db2.gz INMVSLAYCVYMDV-LJQANCHMSA-N 2 1 344.503 3.231 20 0 EGADMP COC1CCC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000459680501 310568367 /nfs/dbraw/zinc/56/83/67/310568367.db2.gz PLPYTJYRIVTPHB-UHFFFAOYSA-N 2 1 334.479 3.380 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)c1ccccc1 ZINC000482140081 310926767 /nfs/dbraw/zinc/92/67/67/310926767.db2.gz VZDMBZWVEVKBLX-MJGOQNOKSA-N 2 1 331.504 3.140 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C/C=C/c3ccncc3)c2)CCO1 ZINC000486948696 311003479 /nfs/dbraw/zinc/00/34/79/311003479.db2.gz VDNGDSJGTNKKHW-PXPSOEEZSA-N 2 1 337.467 3.105 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C/C=C/c3ccncc3)c2)CCO1 ZINC000486948696 311003480 /nfs/dbraw/zinc/00/34/80/311003480.db2.gz VDNGDSJGTNKKHW-PXPSOEEZSA-N 2 1 337.467 3.105 20 0 EGADMP O[C@@]1(CNCc2sccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000487317344 311020228 /nfs/dbraw/zinc/02/02/28/311020228.db2.gz JPBTYDCYOXWRKC-QGZVFWFLSA-N 2 1 336.888 3.128 20 0 EGADMP O[C@@]1(C[NH2+]Cc2sccc2Cl)CCN(Cc2ccccc2)C1 ZINC000487317344 311020229 /nfs/dbraw/zinc/02/02/29/311020229.db2.gz JPBTYDCYOXWRKC-QGZVFWFLSA-N 2 1 336.888 3.128 20 0 EGADMP COCCSCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000487919372 311042790 /nfs/dbraw/zinc/04/27/90/311042790.db2.gz PRFUMAPPWQBKDE-ROUUACIJSA-N 2 1 328.566 3.343 20 0 EGADMP COCCSCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000487919372 311042791 /nfs/dbraw/zinc/04/27/91/311042791.db2.gz PRFUMAPPWQBKDE-ROUUACIJSA-N 2 1 328.566 3.343 20 0 EGADMP COCCSCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000487919372 311042792 /nfs/dbraw/zinc/04/27/92/311042792.db2.gz PRFUMAPPWQBKDE-ROUUACIJSA-N 2 1 328.566 3.343 20 0 EGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000488408285 311064044 /nfs/dbraw/zinc/06/40/44/311064044.db2.gz HDVGCVGHEZQBJL-QUCCMNQESA-N 2 1 328.500 3.182 20 0 EGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000488408285 311064046 /nfs/dbraw/zinc/06/40/46/311064046.db2.gz HDVGCVGHEZQBJL-QUCCMNQESA-N 2 1 328.500 3.182 20 0 EGADMP CN(C(=O)OC(C)(C)C)C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000493286531 311354194 /nfs/dbraw/zinc/35/41/94/311354194.db2.gz PEQHFTZXBZRXRH-MRXNPFEDSA-N 2 1 339.524 3.192 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000506263063 312045939 /nfs/dbraw/zinc/04/59/39/312045939.db2.gz HWJIYHZBYZLUDP-CTNGQTDRSA-N 2 1 345.531 3.324 20 0 EGADMP Oc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000507464307 312073331 /nfs/dbraw/zinc/07/33/31/312073331.db2.gz WSBPMYATRIYRJS-KSEOMHKRSA-N 2 1 336.479 3.435 20 0 EGADMP C[C@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC000510404916 312140036 /nfs/dbraw/zinc/14/00/36/312140036.db2.gz ADNBBEHBJHPIJJ-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP O[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512649839 312191255 /nfs/dbraw/zinc/19/12/55/312191255.db2.gz UYAAOZGSXINMKW-ALGQRKQJSA-N 2 1 328.500 3.180 20 0 EGADMP CCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512665688 312191498 /nfs/dbraw/zinc/19/14/98/312191498.db2.gz HBXBWSSRMARKSH-BURNTYAHSA-N 2 1 330.516 3.428 20 0 EGADMP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000515496256 312286148 /nfs/dbraw/zinc/28/61/48/312286148.db2.gz MJFQNBJGQPRQSS-DFQSSKMNSA-N 2 1 327.472 3.294 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000516815513 312342863 /nfs/dbraw/zinc/34/28/63/312342863.db2.gz UMYDDTIAZXMLBM-TYPHKJRUSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000516815513 312342866 /nfs/dbraw/zinc/34/28/66/312342866.db2.gz UMYDDTIAZXMLBM-TYPHKJRUSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000516815513 312342868 /nfs/dbraw/zinc/34/28/68/312342868.db2.gz UMYDDTIAZXMLBM-TYPHKJRUSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000516815513 312342870 /nfs/dbraw/zinc/34/28/70/312342870.db2.gz UMYDDTIAZXMLBM-TYPHKJRUSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000516815513 312342872 /nfs/dbraw/zinc/34/28/72/312342872.db2.gz UMYDDTIAZXMLBM-TYPHKJRUSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000516815513 312342874 /nfs/dbraw/zinc/34/28/74/312342874.db2.gz UMYDDTIAZXMLBM-TYPHKJRUSA-N 3 1 329.532 3.359 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000516815513 312342876 /nfs/dbraw/zinc/34/28/76/312342876.db2.gz UMYDDTIAZXMLBM-TYPHKJRUSA-N 3 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000516815513 312342877 /nfs/dbraw/zinc/34/28/77/312342877.db2.gz UMYDDTIAZXMLBM-TYPHKJRUSA-N 3 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000516815513 312342879 /nfs/dbraw/zinc/34/28/79/312342879.db2.gz UMYDDTIAZXMLBM-TYPHKJRUSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000516829585 312343706 /nfs/dbraw/zinc/34/37/06/312343706.db2.gz LOXBBZGGTCOLQM-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000528370531 313076006 /nfs/dbraw/zinc/07/60/06/313076006.db2.gz FFDQNAHRRZBXLQ-FQEVSTJZSA-N 2 1 336.495 3.435 20 0 EGADMP CCc1nccn1[C@H]1CCC[N@H+]([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000528375717 313077210 /nfs/dbraw/zinc/07/72/10/313077210.db2.gz CSFUOTIRDNMGIC-ROUUACIJSA-N 2 1 344.503 3.016 20 0 EGADMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000528375717 313077216 /nfs/dbraw/zinc/07/72/16/313077216.db2.gz CSFUOTIRDNMGIC-ROUUACIJSA-N 2 1 344.503 3.016 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000528392460 313081989 /nfs/dbraw/zinc/08/19/89/313081989.db2.gz CZIBTKVNMMGDIX-UYAOXDASSA-N 2 1 334.479 3.047 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000528392460 313081990 /nfs/dbraw/zinc/08/19/90/313081990.db2.gz CZIBTKVNMMGDIX-UYAOXDASSA-N 2 1 334.479 3.047 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000528392460 313081992 /nfs/dbraw/zinc/08/19/92/313081992.db2.gz CZIBTKVNMMGDIX-UYAOXDASSA-N 2 1 334.479 3.047 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000528441699 313094418 /nfs/dbraw/zinc/09/44/18/313094418.db2.gz QVRVURUYERYYGQ-SQGPQFPESA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000528441699 313094420 /nfs/dbraw/zinc/09/44/20/313094420.db2.gz QVRVURUYERYYGQ-SQGPQFPESA-N 2 1 347.547 3.163 20 0 EGADMP Fc1ccc(Cl)cc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249889 313506261 /nfs/dbraw/zinc/50/62/61/313506261.db2.gz ZZAJFTSVQWMIGK-MRXNPFEDSA-N 2 1 326.843 3.070 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2c(C)cccc2C)[C@H](C)C1 ZINC000536876426 314151483 /nfs/dbraw/zinc/15/14/83/314151483.db2.gz KXYVSPIHPKCPDN-UXHICEINSA-N 2 1 348.531 3.409 20 0 EGADMP CC[N@H+]1CC[C@@H](Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)[C@@H](C)C1 ZINC000537446690 314181737 /nfs/dbraw/zinc/18/17/37/314181737.db2.gz YHJJMQMTKWPOJI-GHTZIAJQSA-N 2 1 344.547 3.359 20 0 EGADMP COCC[NH+]1CCC([NH2+]CCc2cccc(Cl)c2Cl)CC1 ZINC000539089803 314296239 /nfs/dbraw/zinc/29/62/39/314296239.db2.gz GVFWUISYRLYOSY-UHFFFAOYSA-N 2 1 331.287 3.236 20 0 EGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cnc2cnccn12 ZINC000539861272 314346790 /nfs/dbraw/zinc/34/67/90/314346790.db2.gz IDMDSBARALJZGE-INIZCTEOSA-N 2 1 346.438 3.052 20 0 EGADMP CC[N@H+]1CCC[C@@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000552920608 315237698 /nfs/dbraw/zinc/23/76/98/315237698.db2.gz CGCGBVOHPYMRHO-IBGZPJMESA-N 2 1 347.522 3.154 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000552920608 315237701 /nfs/dbraw/zinc/23/77/01/315237701.db2.gz CGCGBVOHPYMRHO-IBGZPJMESA-N 2 1 347.522 3.154 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000552920608 315237704 /nfs/dbraw/zinc/23/77/04/315237704.db2.gz CGCGBVOHPYMRHO-IBGZPJMESA-N 2 1 347.522 3.154 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000553512596 315267718 /nfs/dbraw/zinc/26/77/18/315267718.db2.gz FRPJESYBDQTGOE-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000553512596 315267721 /nfs/dbraw/zinc/26/77/21/315267721.db2.gz FRPJESYBDQTGOE-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000553512596 315267722 /nfs/dbraw/zinc/26/77/22/315267722.db2.gz FRPJESYBDQTGOE-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)C(C)(C)C2)cc1)C(C)C ZINC000555530561 315388066 /nfs/dbraw/zinc/38/80/66/315388066.db2.gz PQKMNJDVTXMBAN-UHFFFAOYSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1)C(C)C ZINC000555530561 315388069 /nfs/dbraw/zinc/38/80/69/315388069.db2.gz PQKMNJDVTXMBAN-UHFFFAOYSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1)C(C)C ZINC000555530561 315388072 /nfs/dbraw/zinc/38/80/72/315388072.db2.gz PQKMNJDVTXMBAN-UHFFFAOYSA-N 2 1 331.504 3.083 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000555571989 315391591 /nfs/dbraw/zinc/39/15/91/315391591.db2.gz HCPWRDKRXNLZHQ-LJQANCHMSA-N 2 1 334.479 3.381 20 0 EGADMP CC1(C)CCC[NH2+][C@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000563700917 316058436 /nfs/dbraw/zinc/05/84/36/316058436.db2.gz LKBPYYJUQJZZMP-GFBDMGBSSA-N 2 1 341.499 3.187 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c2ccccc21 ZINC000564074334 316109441 /nfs/dbraw/zinc/10/94/41/316109441.db2.gz WYUJXGHMOWITNU-IPELMVKDSA-N 2 1 336.439 3.027 20 0 EGADMP Cn1cncc1CCC[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000564219985 316124940 /nfs/dbraw/zinc/12/49/40/316124940.db2.gz FTOFAGOLXVVZOH-UHFFFAOYSA-N 2 1 341.377 3.382 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000564219985 316124943 /nfs/dbraw/zinc/12/49/43/316124943.db2.gz FTOFAGOLXVVZOH-UHFFFAOYSA-N 2 1 341.377 3.382 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000564219985 316124950 /nfs/dbraw/zinc/12/49/50/316124950.db2.gz FTOFAGOLXVVZOH-UHFFFAOYSA-N 2 1 341.377 3.382 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)CC(F)(F)F)CC1 ZINC000564853404 316218025 /nfs/dbraw/zinc/21/80/25/316218025.db2.gz DMZNMXDWDAHZOL-CZUORRHYSA-N 2 1 330.394 3.115 20 0 EGADMP Cc1ccc(CC[N@@H+](CCCc2c[nH+]cn2C)C[C@H]2CCCO2)cc1 ZINC000565159035 316277890 /nfs/dbraw/zinc/27/78/90/316277890.db2.gz VOWHFECCDJAGHJ-OAQYLSRUSA-N 2 1 341.499 3.385 20 0 EGADMP Cc1ccc(CC[N@H+](CCCc2c[nH+]cn2C)C[C@H]2CCCO2)cc1 ZINC000565159035 316277894 /nfs/dbraw/zinc/27/78/94/316277894.db2.gz VOWHFECCDJAGHJ-OAQYLSRUSA-N 2 1 341.499 3.385 20 0 EGADMP CCCC[C@H](C)N(C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000565197447 316288698 /nfs/dbraw/zinc/28/86/98/316288698.db2.gz ZBCQZYBHPZQLEU-KRWDZBQOSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[C@H](C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)[C@@H](C)[NH3+] ZINC000566676971 316511934 /nfs/dbraw/zinc/51/19/34/316511934.db2.gz GZIRJPZWELCUGL-HIFRSBDPSA-N 2 1 338.521 3.077 20 0 EGADMP CC[C@]1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCC[NH2+]1 ZINC000569849870 316972969 /nfs/dbraw/zinc/97/29/69/316972969.db2.gz GCSRSXJKAANHPG-PKOBYXMFSA-N 2 1 349.906 3.125 20 0 EGADMP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OC(F)F ZINC000570436638 317055089 /nfs/dbraw/zinc/05/50/89/317055089.db2.gz DREMSUNUZNSWDD-ZFWWWQNUSA-N 2 1 342.430 3.459 20 0 EGADMP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OC(F)F ZINC000570436638 317055091 /nfs/dbraw/zinc/05/50/91/317055091.db2.gz DREMSUNUZNSWDD-ZFWWWQNUSA-N 2 1 342.430 3.459 20 0 EGADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000570436638 317055093 /nfs/dbraw/zinc/05/50/93/317055093.db2.gz DREMSUNUZNSWDD-ZFWWWQNUSA-N 2 1 342.430 3.459 20 0 EGADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000570436638 317055095 /nfs/dbraw/zinc/05/50/95/317055095.db2.gz DREMSUNUZNSWDD-ZFWWWQNUSA-N 2 1 342.430 3.459 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]CC[N@H+](C)C2CCCC2)c(C)c1OC ZINC000570872951 317119196 /nfs/dbraw/zinc/11/91/96/317119196.db2.gz QZPNPAKMPDBGHI-OAHLLOKOSA-N 2 1 334.504 3.407 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]CC[N@@H+](C)C2CCCC2)c(C)c1OC ZINC000570872951 317119200 /nfs/dbraw/zinc/11/92/00/317119200.db2.gz QZPNPAKMPDBGHI-OAHLLOKOSA-N 2 1 334.504 3.407 20 0 EGADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2nccc(N)n2)CC1)CC(C)C ZINC000571653645 317229523 /nfs/dbraw/zinc/22/95/23/317229523.db2.gz JUDDEHTUVNIELB-INIZCTEOSA-N 2 1 333.524 3.030 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2nccc(N)n2)CC1)CC(C)C ZINC000571653645 317229525 /nfs/dbraw/zinc/22/95/25/317229525.db2.gz JUDDEHTUVNIELB-INIZCTEOSA-N 2 1 333.524 3.030 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(F)cc3cccnc32)C[C@H](C)O1 ZINC000177749801 323345199 /nfs/dbraw/zinc/34/51/99/323345199.db2.gz ICYYRKSFMBNZEM-IYBDPMFKSA-N 2 1 345.462 3.353 20 0 EGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000183310042 323607599 /nfs/dbraw/zinc/60/75/99/323607599.db2.gz VXJCRFURUNAICC-QGZVFWFLSA-N 2 1 348.487 3.011 20 0 EGADMP Fc1ccc(Br)c(F)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312835487 456594384 /nfs/dbraw/zinc/59/43/84/456594384.db2.gz OGQGKRKVTGDMIO-PHIMTYICSA-N 2 1 345.231 3.159 20 0 EGADMP Fc1ccc(Br)c(F)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312835487 456594386 /nfs/dbraw/zinc/59/43/86/456594386.db2.gz OGQGKRKVTGDMIO-PHIMTYICSA-N 2 1 345.231 3.159 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000580315659 325233713 /nfs/dbraw/zinc/23/37/13/325233713.db2.gz HCCGYOVFWBAIPU-UHFFFAOYSA-N 2 1 334.851 3.244 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000580644425 325278305 /nfs/dbraw/zinc/27/83/05/325278305.db2.gz QFJFKVPUNCYAIJ-MJGOQNOKSA-N 2 1 345.531 3.341 20 0 EGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000580873901 325303521 /nfs/dbraw/zinc/30/35/21/325303521.db2.gz SWYZHGSWEKJEFM-HNJRGHQBSA-N 2 1 334.504 3.242 20 0 EGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000580873901 325303524 /nfs/dbraw/zinc/30/35/24/325303524.db2.gz SWYZHGSWEKJEFM-HNJRGHQBSA-N 2 1 334.504 3.242 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000580976059 325316289 /nfs/dbraw/zinc/31/62/89/325316289.db2.gz SHTOCPXCAFKTAL-BQJUDKOJSA-N 2 1 328.500 3.446 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+]CCSCc1cccc2ccccc21)C1CC1 ZINC000581721108 325385915 /nfs/dbraw/zinc/38/59/15/325385915.db2.gz FYTNCNXEHABHHW-LJQANCHMSA-N 2 1 344.524 3.118 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+]CCSCc1cccc2ccccc21)C1CC1 ZINC000581721108 325385916 /nfs/dbraw/zinc/38/59/16/325385916.db2.gz FYTNCNXEHABHHW-LJQANCHMSA-N 2 1 344.524 3.118 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2cccc(Br)c2)C1 ZINC000464790499 458775436 /nfs/dbraw/zinc/77/54/36/458775436.db2.gz IWSOEMCVIHSSLU-CQSZACIVSA-N 2 1 341.293 3.102 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2cccc(Br)c2)C1 ZINC000464790499 458775442 /nfs/dbraw/zinc/77/54/42/458775442.db2.gz IWSOEMCVIHSSLU-CQSZACIVSA-N 2 1 341.293 3.102 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2cccc(Br)c2)C1 ZINC000464790499 458775448 /nfs/dbraw/zinc/77/54/48/458775448.db2.gz IWSOEMCVIHSSLU-CQSZACIVSA-N 2 1 341.293 3.102 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495435391 458856749 /nfs/dbraw/zinc/85/67/49/458856749.db2.gz ZMWWOSWTBRQIPZ-UHFFFAOYSA-N 2 1 327.513 3.094 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCOCC(F)F ZINC000189950466 455259632 /nfs/dbraw/zinc/25/96/32/455259632.db2.gz RQFMDHHTCIWALJ-MVVMVCHASA-N 2 1 326.431 3.014 20 0 EGADMP C[NH+](C)CC1CC[NH+](Cc2cccc(F)c2Br)CC1 ZINC000158039222 455262559 /nfs/dbraw/zinc/26/25/59/455262559.db2.gz ZLOVSBHELFBLFX-UHFFFAOYSA-N 2 1 329.257 3.362 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000173318114 455264821 /nfs/dbraw/zinc/26/48/21/455264821.db2.gz QWDXBOAQFJOAQF-ZDUSSCGKSA-N 2 1 329.282 3.068 20 0 EGADMP C[C@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000158179186 455277184 /nfs/dbraw/zinc/27/71/84/455277184.db2.gz SUUJOKQMAXMTCY-VLCRHTCISA-N 2 1 338.495 3.233 20 0 EGADMP C[C@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000158179186 455277188 /nfs/dbraw/zinc/27/71/88/455277188.db2.gz SUUJOKQMAXMTCY-VLCRHTCISA-N 2 1 338.495 3.233 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000075572108 453906549 /nfs/dbraw/zinc/90/65/49/453906549.db2.gz QABBNZMLRSBABA-TYOLEZHBSA-N 2 1 327.516 3.192 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000075572108 453906553 /nfs/dbraw/zinc/90/65/53/453906553.db2.gz QABBNZMLRSBABA-TYOLEZHBSA-N 2 1 327.516 3.192 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(-c3ccccn3)no2)CC1 ZINC000076776593 454035692 /nfs/dbraw/zinc/03/56/92/454035692.db2.gz JIEGXKVYSVPMHI-UHFFFAOYSA-N 2 1 343.475 3.076 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(-c3ccccn3)no2)CC1 ZINC000076776593 454035697 /nfs/dbraw/zinc/03/56/97/454035697.db2.gz JIEGXKVYSVPMHI-UHFFFAOYSA-N 2 1 343.475 3.076 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c(F)c1 ZINC000056523231 454064643 /nfs/dbraw/zinc/06/46/43/454064643.db2.gz IDDNFKLSMQWTAG-HNNXBMFYSA-N 2 1 335.467 3.125 20 0 EGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594530 454165296 /nfs/dbraw/zinc/16/52/96/454165296.db2.gz NIUSBQFTRJGLAJ-KRWDZBQOSA-N 2 1 334.479 3.381 20 0 EGADMP COCC[NH+]1CCC([NH2+]CCCO[C@H]2CCCc3ccccc32)CC1 ZINC000089721504 454182640 /nfs/dbraw/zinc/18/26/40/454182640.db2.gz KUXQIJDHHVGWDS-NRFANRHFSA-N 2 1 346.515 3.171 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)C[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000130527791 454203064 /nfs/dbraw/zinc/20/30/64/454203064.db2.gz MIELNIOMLQIJPV-KRWDZBQOSA-N 2 1 343.515 3.067 20 0 EGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000131588595 454268108 /nfs/dbraw/zinc/26/81/08/454268108.db2.gz HYARICRSHXPYMU-KSZLIROESA-N 2 1 345.531 3.358 20 0 EGADMP COc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)ccc1OCC(F)(F)F ZINC000072074810 454270974 /nfs/dbraw/zinc/27/09/74/454270974.db2.gz JTOQKANKVFAULK-UHFFFAOYSA-N 2 1 348.409 3.314 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000046658958 454271756 /nfs/dbraw/zinc/27/17/56/454271756.db2.gz ZOTZILRDFWCOLA-SFHVURJKSA-N 2 1 343.471 3.154 20 0 EGADMP Cc1ccc([C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[NH+]2CCCC2)o1 ZINC000078724356 454305640 /nfs/dbraw/zinc/30/56/40/454305640.db2.gz PRFNEUYHSZZCHZ-QZTJIDSGSA-N 2 1 347.503 3.106 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000090720527 454337504 /nfs/dbraw/zinc/33/75/04/454337504.db2.gz DRZONGZVGKRUOH-AAEUAGOBSA-N 2 1 327.266 3.030 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Br ZINC000090720527 454337509 /nfs/dbraw/zinc/33/75/09/454337509.db2.gz DRZONGZVGKRUOH-AAEUAGOBSA-N 2 1 327.266 3.030 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000090716068 454337676 /nfs/dbraw/zinc/33/76/76/454337676.db2.gz ZEZJZLZGKAGCNB-CJNGLKHVSA-N 2 1 330.394 3.195 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)CN(C)Cc1ccccc1 ZINC000091075570 454377890 /nfs/dbraw/zinc/37/78/90/454377890.db2.gz YYDAGASGVJFFMW-UHFFFAOYSA-N 2 1 328.504 3.472 20 0 EGADMP COc1cccc(C[C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C2CC2)c1 ZINC000121274745 454414341 /nfs/dbraw/zinc/41/43/41/454414341.db2.gz FHHNWICPCHUEAY-FOIQADDNSA-N 2 1 327.472 3.447 20 0 EGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)CCCO2 ZINC000121423014 454433556 /nfs/dbraw/zinc/43/35/56/454433556.db2.gz WXHZGPYVNKXVCR-KSSFIOAISA-N 2 1 329.444 3.340 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000063710996 454439737 /nfs/dbraw/zinc/43/97/37/454439737.db2.gz FBDZSRJYZCEBAJ-LJQANCHMSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCCCC[NH+]1CCCCC1 ZINC000073560759 454450213 /nfs/dbraw/zinc/45/02/13/454450213.db2.gz PDJRUUBNJIXJFN-UHFFFAOYSA-N 2 1 334.508 3.169 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000133650609 454450900 /nfs/dbraw/zinc/45/09/00/454450900.db2.gz IZSQWDAIDZTJNK-IOASZLSFSA-N 2 1 341.293 3.146 20 0 EGADMP CCOc1cc(CCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1OC ZINC000133905837 454481069 /nfs/dbraw/zinc/48/10/69/454481069.db2.gz JEQCJUONHGWZOG-LZLYRXPVSA-N 2 1 334.504 3.345 20 0 EGADMP COc1cc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000092066752 454512270 /nfs/dbraw/zinc/51/22/70/454512270.db2.gz UQYLTIOMJZFZDP-VQIMIIECSA-N 2 1 344.499 3.461 20 0 EGADMP COc1cc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000092066752 454512276 /nfs/dbraw/zinc/51/22/76/454512276.db2.gz UQYLTIOMJZFZDP-VQIMIIECSA-N 2 1 344.499 3.461 20 0 EGADMP COc1cc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000092066752 454512281 /nfs/dbraw/zinc/51/22/81/454512281.db2.gz UQYLTIOMJZFZDP-VQIMIIECSA-N 2 1 344.499 3.461 20 0 EGADMP C[S@](=O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000080343549 454567918 /nfs/dbraw/zinc/56/79/18/454567918.db2.gz QQXPSLFGYAQEGT-XMMPIXPASA-N 2 1 342.508 3.178 20 0 EGADMP C[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000092560005 454587235 /nfs/dbraw/zinc/58/72/35/454587235.db2.gz YCSDRSYCGYGMSS-UHFFFAOYSA-N 2 1 349.219 3.234 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(Cl)o3)CC2)C[C@H](C)O1 ZINC000092586970 454591532 /nfs/dbraw/zinc/59/15/32/454591532.db2.gz YMQZDBSLLKVPCD-OKILXGFUSA-N 2 1 326.868 3.254 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(Cl)o3)CC2)C[C@H](C)O1 ZINC000092586970 454591535 /nfs/dbraw/zinc/59/15/35/454591535.db2.gz YMQZDBSLLKVPCD-OKILXGFUSA-N 2 1 326.868 3.254 20 0 EGADMP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(F)cc1 ZINC000134881028 454602116 /nfs/dbraw/zinc/60/21/16/454602116.db2.gz UBSFOXFCMXSQBX-DNVCBOLYSA-N 2 1 345.462 3.103 20 0 EGADMP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(F)cc1 ZINC000134881028 454602121 /nfs/dbraw/zinc/60/21/21/454602121.db2.gz UBSFOXFCMXSQBX-DNVCBOLYSA-N 2 1 345.462 3.103 20 0 EGADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(F)cc1 ZINC000134881028 454602124 /nfs/dbraw/zinc/60/21/24/454602124.db2.gz UBSFOXFCMXSQBX-DNVCBOLYSA-N 2 1 345.462 3.103 20 0 EGADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(F)cc1 ZINC000134881028 454602128 /nfs/dbraw/zinc/60/21/28/454602128.db2.gz UBSFOXFCMXSQBX-DNVCBOLYSA-N 2 1 345.462 3.103 20 0 EGADMP Cc1cc(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)nc(C)[nH+]1 ZINC000092696190 454612943 /nfs/dbraw/zinc/61/29/43/454612943.db2.gz IFQKNFVABBTJGF-UHFFFAOYSA-N 2 1 325.460 3.231 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2sc(CCOC)nc2C)C1 ZINC000092740500 454622744 /nfs/dbraw/zinc/62/27/44/454622744.db2.gz ODGJVGUAARCCDK-DZGCQCFKSA-N 2 1 325.522 3.023 20 0 EGADMP CCc1nnc([C@@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000092821373 454640065 /nfs/dbraw/zinc/64/00/65/454640065.db2.gz IOBKCLXJSNMCLK-OAHLLOKOSA-N 2 1 343.475 3.327 20 0 EGADMP CCc1nnc([C@@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000092821373 454640070 /nfs/dbraw/zinc/64/00/70/454640070.db2.gz IOBKCLXJSNMCLK-OAHLLOKOSA-N 2 1 343.475 3.327 20 0 EGADMP Fc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000051957364 454642587 /nfs/dbraw/zinc/64/25/87/454642587.db2.gz IZATTXFNKXOSNI-UHFFFAOYSA-N 2 1 326.843 3.023 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(-n3cncn3)cc2)c1 ZINC000065976514 454646555 /nfs/dbraw/zinc/64/65/55/454646555.db2.gz SATAEMNCPYFFDW-UHFFFAOYSA-N 2 1 349.482 3.397 20 0 EGADMP Cc1ccccc1OCCC[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123565893 454653058 /nfs/dbraw/zinc/65/30/58/454653058.db2.gz PVKQQLHGUPUCJX-GOSISDBHSA-N 2 1 327.472 3.452 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000052208814 454661311 /nfs/dbraw/zinc/66/13/11/454661311.db2.gz LALFDZUZYSQPJT-UHFFFAOYSA-N 2 1 343.515 3.020 20 0 EGADMP C[C@H](NCC[NH+]1CCCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000123951062 454689592 /nfs/dbraw/zinc/68/95/92/454689592.db2.gz NRBYWZHQYWDCAY-SFHVURJKSA-N 2 1 333.520 3.154 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000161611798 454707596 /nfs/dbraw/zinc/70/75/96/454707596.db2.gz KYWIBHAKCCAGID-UHFFFAOYSA-N 2 1 332.879 3.447 20 0 EGADMP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000635006758 460650795 /nfs/dbraw/zinc/65/07/95/460650795.db2.gz SMYUUNAQQRBJNS-JFZIVLOISA-N 3 1 341.543 3.394 20 0 EGADMP CC1(C)[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H]2CCO[C@@H]21 ZINC000161941265 454738941 /nfs/dbraw/zinc/73/89/41/454738941.db2.gz MPUYWCDFOQNCFJ-AABGKKOBSA-N 2 1 328.500 3.097 20 0 EGADMP Cc1ccc(C[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C2CC2)cc1 ZINC000124545755 454746222 /nfs/dbraw/zinc/74/62/22/454746222.db2.gz GCDBYOCHMHUKAJ-QFIPXVFZSA-N 2 1 343.559 3.179 20 0 EGADMP Cc1cccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000620437318 460653085 /nfs/dbraw/zinc/65/30/85/460653085.db2.gz GDOBXBCFGGRUBJ-SFHVURJKSA-N 2 1 329.513 3.135 20 0 EGADMP CC[C@@H](C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)[NH+](C)C ZINC000124857661 454777123 /nfs/dbraw/zinc/77/71/23/454777123.db2.gz MYSUBNSCXLRVMW-KRWDZBQOSA-N 2 1 328.460 3.334 20 0 EGADMP CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000137729225 454784629 /nfs/dbraw/zinc/78/46/29/454784629.db2.gz RCDLANQEYDSOTL-KRWDZBQOSA-N 2 1 347.503 3.078 20 0 EGADMP COCC[N@@H+](C)CCCN[C@@H]1CCCOc2c(Cl)cccc21 ZINC000153741542 454828012 /nfs/dbraw/zinc/82/80/12/454828012.db2.gz MTUHICXDRSAQGE-MRXNPFEDSA-N 2 1 326.868 3.112 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000153741542 454828020 /nfs/dbraw/zinc/82/80/20/454828020.db2.gz MTUHICXDRSAQGE-MRXNPFEDSA-N 2 1 326.868 3.112 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000111094671 454857318 /nfs/dbraw/zinc/85/73/18/454857318.db2.gz YHUYCMOSTTUSNT-LJQANCHMSA-N 2 1 345.531 3.402 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000125990109 454861938 /nfs/dbraw/zinc/86/19/38/454861938.db2.gz YZVCISVBAKLDBF-IRXDYDNUSA-N 2 1 327.476 3.038 20 0 EGADMP CC(C)N(C)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000177426621 454863006 /nfs/dbraw/zinc/86/30/06/454863006.db2.gz VFXUMMAPNKKEKF-MSOLQXFVSA-N 2 1 345.531 3.406 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1(C)CC1 ZINC000163969503 454870012 /nfs/dbraw/zinc/87/00/12/454870012.db2.gz FEYRKQNKGOIECN-QGZVFWFLSA-N 2 1 346.515 3.454 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000164606788 454886046 /nfs/dbraw/zinc/88/60/46/454886046.db2.gz NUECUSDUTCWCLV-PMACEKPBSA-N 2 1 345.531 3.441 20 0 EGADMP CCOc1cc2c(cc1CN[C@@H]1CC[N@H+]3CCC[C@@H]3C1)O[C@H](C)C2 ZINC000126663460 454909770 /nfs/dbraw/zinc/90/97/70/454909770.db2.gz YEUNPHQEGSDRNY-ZTFGCOKTSA-N 2 1 330.472 3.125 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCO[C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000127096166 454938166 /nfs/dbraw/zinc/93/81/66/454938166.db2.gz WOOVAVZRYMWZQW-ZGXWSNOMSA-N 2 1 340.552 3.308 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000114455821 454955765 /nfs/dbraw/zinc/95/57/65/454955765.db2.gz ARXHWZJEGWEOLY-GOSISDBHSA-N 2 1 345.531 3.285 20 0 EGADMP COc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc(OC)c1OC ZINC000171141818 455036185 /nfs/dbraw/zinc/03/61/85/455036185.db2.gz OOOBVJHMFZYJKI-HUUCEWRRSA-N 2 1 336.476 3.095 20 0 EGADMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000155844301 455052227 /nfs/dbraw/zinc/05/22/27/455052227.db2.gz LEDSBMCTMPBJHO-INIZCTEOSA-N 2 1 340.533 3.250 20 0 EGADMP CCOCc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1OC ZINC000179851896 455089497 /nfs/dbraw/zinc/08/94/97/455089497.db2.gz YVKKWQDDLMTKPR-GOSISDBHSA-N 2 1 332.488 3.149 20 0 EGADMP CCOCc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1OC ZINC000179851896 455089499 /nfs/dbraw/zinc/08/94/99/455089499.db2.gz YVKKWQDDLMTKPR-GOSISDBHSA-N 2 1 332.488 3.149 20 0 EGADMP C[N@H+](Cc1ccc(OCc2ccncc2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000152341724 455104710 /nfs/dbraw/zinc/10/47/10/455104710.db2.gz VVJRQNSIXQMWQF-FQEVSTJZSA-N 2 1 339.483 3.434 20 0 EGADMP COC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000152445291 455120269 /nfs/dbraw/zinc/12/02/69/455120269.db2.gz SBOODPNSBMOFJF-CXAGYDPISA-N 2 1 342.405 3.467 20 0 EGADMP COC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000152445291 455120273 /nfs/dbraw/zinc/12/02/73/455120273.db2.gz SBOODPNSBMOFJF-CXAGYDPISA-N 2 1 342.405 3.467 20 0 EGADMP CCOc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)CCOCC2)cc1 ZINC000152449628 455121199 /nfs/dbraw/zinc/12/11/99/455121199.db2.gz UXTPYFQEYVNZKV-IEBWSBKVSA-N 2 1 346.515 3.206 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000623656473 460663436 /nfs/dbraw/zinc/66/34/36/460663436.db2.gz VEGFRIWFSMVPCI-HNNXBMFYSA-N 2 1 330.394 3.449 20 0 EGADMP CC(C)[C@H](CSc1ccccc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000180467523 455175272 /nfs/dbraw/zinc/17/52/72/455175272.db2.gz ZTOQNALPHJLFEX-FQEVSTJZSA-N 2 1 349.588 3.421 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)CCCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000237378470 455179184 /nfs/dbraw/zinc/17/91/84/455179184.db2.gz SXSSPFGMHXQAPL-UYAOXDASSA-N 2 1 345.531 3.407 20 0 EGADMP C[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000237397226 455181297 /nfs/dbraw/zinc/18/12/97/455181297.db2.gz BHYUEASTMJZXII-YLJYHZDGSA-N 2 1 339.483 3.103 20 0 EGADMP CCOC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(C)C ZINC000189360074 455184883 /nfs/dbraw/zinc/18/48/83/455184883.db2.gz FFKGDPVPSXBZJB-HXUWFJFHSA-N 2 1 336.495 3.483 20 0 EGADMP CSc1ccc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000172828054 455193576 /nfs/dbraw/zinc/19/35/76/455193576.db2.gz QSBLPTXIRUYGGW-UHFFFAOYSA-N 2 1 335.517 3.011 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCCCCC[NH3+])cc2)C1 ZINC000237552950 455194437 /nfs/dbraw/zinc/19/44/37/455194437.db2.gz HHCQNUNPDCRPGF-GOSISDBHSA-N 2 1 345.531 3.444 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cncn3C)cc2)C1 ZINC000237688332 455207778 /nfs/dbraw/zinc/20/77/78/455207778.db2.gz SAFJIBALQLGSDO-CALCHBBNSA-N 2 1 326.488 3.188 20 0 EGADMP Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000173491522 455293189 /nfs/dbraw/zinc/29/31/89/455293189.db2.gz QGVQIMKOOSVQLA-GOSISDBHSA-N 2 1 329.488 3.274 20 0 EGADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000265353248 455311886 /nfs/dbraw/zinc/31/18/86/455311886.db2.gz XXDMTDDOZUPACR-IBGZPJMESA-N 2 1 343.515 3.086 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000245562762 455331999 /nfs/dbraw/zinc/33/19/99/455331999.db2.gz PICGCFLWGCWEEL-YLJYHZDGSA-N 2 1 345.531 3.216 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1n1ccnc1 ZINC000246196783 455446611 /nfs/dbraw/zinc/44/66/11/455446611.db2.gz LQDLNOQNUTYUAH-RDTXWAMCSA-N 2 1 339.418 3.495 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOc2cccc3cccnc32)[C@@H](C)C1 ZINC000246300826 455466630 /nfs/dbraw/zinc/46/66/30/455466630.db2.gz DAHGMOASRJRVOL-FUHWJXTLSA-N 2 1 327.472 3.324 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000182233630 455468009 /nfs/dbraw/zinc/46/80/09/455468009.db2.gz ZYIICLLUULLJLW-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)o1 ZINC000182251703 455472715 /nfs/dbraw/zinc/47/27/15/455472715.db2.gz CJRGBLQSHBRNCX-QFBILLFUSA-N 2 1 328.456 3.396 20 0 EGADMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)o1 ZINC000182251703 455472720 /nfs/dbraw/zinc/47/27/20/455472720.db2.gz CJRGBLQSHBRNCX-QFBILLFUSA-N 2 1 328.456 3.396 20 0 EGADMP Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000266934642 455478855 /nfs/dbraw/zinc/47/88/55/455478855.db2.gz PODNNHMNWLTZJL-HZPDHXFCSA-N 2 1 326.444 3.233 20 0 EGADMP CC[C@H](C)NC(=O)c1cccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000247046516 455551075 /nfs/dbraw/zinc/55/10/75/455551075.db2.gz NAUKKYNUEQMMCO-PASDCYSWSA-N 2 1 331.504 3.033 20 0 EGADMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000247046516 455551083 /nfs/dbraw/zinc/55/10/83/455551083.db2.gz NAUKKYNUEQMMCO-PASDCYSWSA-N 2 1 331.504 3.033 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247171717 455569180 /nfs/dbraw/zinc/56/91/80/455569180.db2.gz SQNICUDMNUPLPK-PKOBYXMFSA-N 2 1 334.504 3.230 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247171717 455569181 /nfs/dbraw/zinc/56/91/81/455569181.db2.gz SQNICUDMNUPLPK-PKOBYXMFSA-N 2 1 334.504 3.230 20 0 EGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2sccc2CN(C)C)C1 ZINC000268059006 455586288 /nfs/dbraw/zinc/58/62/88/455586288.db2.gz ZMMAWINMWZERJK-CQSZACIVSA-N 2 1 337.533 3.050 20 0 EGADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000268059006 455586292 /nfs/dbraw/zinc/58/62/92/455586292.db2.gz ZMMAWINMWZERJK-CQSZACIVSA-N 2 1 337.533 3.050 20 0 EGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000268059006 455586295 /nfs/dbraw/zinc/58/62/95/455586295.db2.gz ZMMAWINMWZERJK-CQSZACIVSA-N 2 1 337.533 3.050 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc2)n1 ZINC000247343708 455590053 /nfs/dbraw/zinc/59/00/53/455590053.db2.gz XRLIKWLUKGHYSL-FPOVZHCZSA-N 2 1 338.499 3.405 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cc2)n1 ZINC000247343708 455590056 /nfs/dbraw/zinc/59/00/56/455590056.db2.gz XRLIKWLUKGHYSL-FPOVZHCZSA-N 2 1 338.499 3.405 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cc2)n1 ZINC000247343708 455590057 /nfs/dbraw/zinc/59/00/57/455590057.db2.gz XRLIKWLUKGHYSL-FPOVZHCZSA-N 2 1 338.499 3.405 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000185679785 455593993 /nfs/dbraw/zinc/59/39/93/455593993.db2.gz HKYKJJKFUDJETQ-ZWKOTPCHSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000185679785 455593995 /nfs/dbraw/zinc/59/39/95/455593995.db2.gz HKYKJJKFUDJETQ-ZWKOTPCHSA-N 2 1 343.515 3.485 20 0 EGADMP C[C@H](NCC(=O)N(C)CC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682369 455596114 /nfs/dbraw/zinc/59/61/14/455596114.db2.gz KHWQMJZYJJBVEZ-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]([NH2+]CC(=O)N(C)CC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682369 455596120 /nfs/dbraw/zinc/59/61/20/455596120.db2.gz KHWQMJZYJJBVEZ-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]([NH2+]CC(=O)N(C)CC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682369 455596129 /nfs/dbraw/zinc/59/61/29/455596129.db2.gz KHWQMJZYJJBVEZ-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185708404 455602224 /nfs/dbraw/zinc/60/22/24/455602224.db2.gz CFJCKUNZRCHDPD-LBTNJELSSA-N 2 1 338.442 3.241 20 0 EGADMP CCc1oc(C(=O)OC)cc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185726045 455607069 /nfs/dbraw/zinc/60/70/69/455607069.db2.gz RPVWUYDVRQGOPB-GJZGRUSLSA-N 2 1 348.487 3.371 20 0 EGADMP CCc1oc(C(=O)OC)cc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185726045 455607073 /nfs/dbraw/zinc/60/70/73/455607073.db2.gz RPVWUYDVRQGOPB-GJZGRUSLSA-N 2 1 348.487 3.371 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185733012 455608409 /nfs/dbraw/zinc/60/84/09/455608409.db2.gz DCQDFJQTWKAHHA-SQNIBIBYSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185733012 455608414 /nfs/dbraw/zinc/60/84/14/455608414.db2.gz DCQDFJQTWKAHHA-SQNIBIBYSA-N 2 1 349.563 3.409 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000268185912 455613012 /nfs/dbraw/zinc/61/30/12/455613012.db2.gz WWCITBGLMWDWTH-IBGZPJMESA-N 2 1 344.503 3.147 20 0 EGADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000247557832 455624989 /nfs/dbraw/zinc/62/49/89/455624989.db2.gz UJZIDXJHEQDXRV-LTIDMASMSA-N 2 1 325.541 3.026 20 0 EGADMP Cc1ccncc1[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000271406675 455625250 /nfs/dbraw/zinc/62/52/50/455625250.db2.gz MPKMEBFWGAVKFR-QGZVFWFLSA-N 2 1 325.456 3.073 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000284192203 455649990 /nfs/dbraw/zinc/64/99/90/455649990.db2.gz BRIOYPPPMHHDQP-QGZVFWFLSA-N 2 1 348.450 3.071 20 0 EGADMP COc1cccc([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)[NH+]2CCCC2)c1 ZINC000248021308 455670264 /nfs/dbraw/zinc/67/02/64/455670264.db2.gz NWFMYUJINMRXHU-PZBISTMVSA-N 2 1 345.531 3.150 20 0 EGADMP COc1cccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)N2CCCC2)c1 ZINC000248021308 455670268 /nfs/dbraw/zinc/67/02/68/455670268.db2.gz NWFMYUJINMRXHU-PZBISTMVSA-N 2 1 345.531 3.150 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000248025782 455672376 /nfs/dbraw/zinc/67/23/76/455672376.db2.gz OYLUBSWEJYGJMH-QEEYODRMSA-N 2 1 326.488 3.307 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000248025782 455672377 /nfs/dbraw/zinc/67/23/77/455672377.db2.gz OYLUBSWEJYGJMH-QEEYODRMSA-N 2 1 326.488 3.307 20 0 EGADMP O[C@@H]([C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1)C(F)(F)F ZINC000277812188 455673494 /nfs/dbraw/zinc/67/34/94/455673494.db2.gz QGLGYFIMBXVBBL-ZBFHGGJFSA-N 2 1 339.361 3.008 20 0 EGADMP COc1ccc([C@H](C)[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000192715668 455677236 /nfs/dbraw/zinc/67/72/36/455677236.db2.gz KFDGWUPCLXKRNJ-SFHVURJKSA-N 2 1 333.520 3.104 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OC(F)(F)F)cc2)CCCO1 ZINC000277855824 455687561 /nfs/dbraw/zinc/68/75/61/455687561.db2.gz MVTLNRMMSQAANA-AWEZNQCLSA-N 2 1 346.393 3.176 20 0 EGADMP CCSc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000186216006 455717879 /nfs/dbraw/zinc/71/78/79/455717879.db2.gz WJOHXFZMJLYQAX-SFHVURJKSA-N 2 1 333.545 3.010 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)[C@@H]1Oc1ccccc1 ZINC000186258104 455727546 /nfs/dbraw/zinc/72/75/46/455727546.db2.gz OMDWCYFAVBJCQY-ZCNNSNEGSA-N 2 1 332.488 3.074 20 0 EGADMP CC(C)c1nc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cs1 ZINC000186320579 455742947 /nfs/dbraw/zinc/74/29/47/455742947.db2.gz PVJVCXYPDLPYAA-OAHLLOKOSA-N 2 1 338.565 3.191 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000271758414 455749284 /nfs/dbraw/zinc/74/92/84/455749284.db2.gz ZDCTZEZDZOWCSV-WOJBJXKFSA-N 2 1 341.503 3.028 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCc3c(O)cccc32)C[C@H](C)O1 ZINC000284858603 455753252 /nfs/dbraw/zinc/75/32/52/455753252.db2.gz ALDCTJTXITXUKA-FCEWJHQRSA-N 2 1 332.488 3.249 20 0 EGADMP COc1ccccc1[C@@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)OC(C)C ZINC000186377497 455754956 /nfs/dbraw/zinc/75/49/56/455754956.db2.gz JTMRTZNPUURZEP-SQGPQFPESA-N 2 1 332.488 3.378 20 0 EGADMP COc1ccccc1[C@@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)OC(C)C ZINC000186377497 455754961 /nfs/dbraw/zinc/75/49/61/455754961.db2.gz JTMRTZNPUURZEP-SQGPQFPESA-N 2 1 332.488 3.378 20 0 EGADMP C[N@H+]1CC[C@]2(CCN(Cc3ccccc3OCc3cccnc3)C2)C1 ZINC000292781125 455755089 /nfs/dbraw/zinc/75/50/89/455755089.db2.gz LJGNDVMNGIENNW-NRFANRHFSA-N 2 1 337.467 3.188 20 0 EGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3OCc3cccnc3)C2)C1 ZINC000292781125 455755090 /nfs/dbraw/zinc/75/50/90/455755090.db2.gz LJGNDVMNGIENNW-NRFANRHFSA-N 2 1 337.467 3.188 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3OCc3cccnc3)C2)C1 ZINC000292781125 455755095 /nfs/dbraw/zinc/75/50/95/455755095.db2.gz LJGNDVMNGIENNW-NRFANRHFSA-N 2 1 337.467 3.188 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3OCc3cccnc3)C2)C1 ZINC000292781125 455755097 /nfs/dbraw/zinc/75/50/97/455755097.db2.gz LJGNDVMNGIENNW-NRFANRHFSA-N 2 1 337.467 3.188 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3OCc3cccnc3)C2)C1 ZINC000292781125 455755102 /nfs/dbraw/zinc/75/51/02/455755102.db2.gz LJGNDVMNGIENNW-NRFANRHFSA-N 2 1 337.467 3.188 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)OC(C)C ZINC000186378731 455756430 /nfs/dbraw/zinc/75/64/30/455756430.db2.gz XGECIARYQNGERZ-JMVFIXPQSA-N 2 1 334.504 3.480 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000249727122 455770018 /nfs/dbraw/zinc/77/00/18/455770018.db2.gz QQXSBJZBMINWMW-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000249971742 455784205 /nfs/dbraw/zinc/78/42/05/455784205.db2.gz KOSFVPRLLNQKKB-HGJUEJDCSA-N 2 1 328.500 3.038 20 0 EGADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000269202746 455811152 /nfs/dbraw/zinc/81/11/52/455811152.db2.gz KTVJFNXURQQMKE-IBGZPJMESA-N 2 1 349.478 3.183 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4C[C@@H]5OCCC[C@@H]45)[C@H]3C2)cc1 ZINC000253233052 455831914 /nfs/dbraw/zinc/83/19/14/455831914.db2.gz LQAXPGPFUIIMPX-LLTZGFESSA-N 2 1 340.511 3.444 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC([NH+](CCOC)CCOC)CC1 ZINC000285398851 455837259 /nfs/dbraw/zinc/83/72/59/455837259.db2.gz DWZIBANDQAFWAB-HXUWFJFHSA-N 2 1 334.504 3.197 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C)c1OC ZINC000285604262 455880479 /nfs/dbraw/zinc/88/04/79/455880479.db2.gz JWQQSJCEMBCMMU-GDBMZVCRSA-N 2 1 332.488 3.017 20 0 EGADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000280064856 455882672 /nfs/dbraw/zinc/88/26/72/455882672.db2.gz XEKBDRVPBANYJD-LSDHHAIUSA-N 2 1 331.460 3.381 20 0 EGADMP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000270233922 455908744 /nfs/dbraw/zinc/90/87/44/455908744.db2.gz BAEITLFWYHIYOX-NRFANRHFSA-N 2 1 342.458 3.287 20 0 EGADMP COc1cc(C[N@@H+](CC2CC[NH2+]CC2)C2CC2)ccc1OC(F)F ZINC000261609806 455912663 /nfs/dbraw/zinc/91/26/63/455912663.db2.gz DKXZKLDRRGXCLP-UHFFFAOYSA-N 2 1 340.414 3.261 20 0 EGADMP COc1c(O)cccc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000272330476 455914943 /nfs/dbraw/zinc/91/49/43/455914943.db2.gz WJMOEOXFGRNZBH-OAHLLOKOSA-N 2 1 327.428 3.038 20 0 EGADMP COc1c(O)cccc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000272330476 455914949 /nfs/dbraw/zinc/91/49/49/455914949.db2.gz WJMOEOXFGRNZBH-OAHLLOKOSA-N 2 1 327.428 3.038 20 0 EGADMP CCN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000261731058 455936586 /nfs/dbraw/zinc/93/65/86/455936586.db2.gz KWHMWFUMVMEUOK-BTHPGYMESA-N 2 1 343.515 3.188 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272464691 455960282 /nfs/dbraw/zinc/96/02/82/455960282.db2.gz KQIRMAZAHCNOFQ-YRISNDGFSA-N 2 1 342.458 3.359 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(C[C@H](O)c3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000270465923 455961637 /nfs/dbraw/zinc/96/16/37/455961637.db2.gz YBFOLVWIZNOLET-DQYPLSBCSA-N 2 1 343.298 3.443 20 0 EGADMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000270465923 455961642 /nfs/dbraw/zinc/96/16/42/455961642.db2.gz YBFOLVWIZNOLET-DQYPLSBCSA-N 2 1 343.298 3.443 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000270465923 455961645 /nfs/dbraw/zinc/96/16/45/455961645.db2.gz YBFOLVWIZNOLET-DQYPLSBCSA-N 2 1 343.298 3.443 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000270465923 455961650 /nfs/dbraw/zinc/96/16/50/455961650.db2.gz YBFOLVWIZNOLET-DQYPLSBCSA-N 2 1 343.298 3.443 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000270465923 455961652 /nfs/dbraw/zinc/96/16/52/455961652.db2.gz YBFOLVWIZNOLET-DQYPLSBCSA-N 2 1 343.298 3.443 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3c2OCCCO3)C[C@H]1c1ccccc1 ZINC000261883323 455964899 /nfs/dbraw/zinc/96/48/99/455964899.db2.gz ULHHUBUUCURXIF-MOPGFXCFSA-N 2 1 338.451 3.022 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270502597 455970257 /nfs/dbraw/zinc/97/02/57/455970257.db2.gz NYUIZAKBQSQEKG-LLVKDONJSA-N 2 1 346.302 3.073 20 0 EGADMP CCC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000296584259 455980744 /nfs/dbraw/zinc/98/07/44/455980744.db2.gz XATQZQWKVRCITH-IRXDYDNUSA-N 2 1 331.504 3.065 20 0 EGADMP CCN(CC)C(=O)CCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272526278 455983048 /nfs/dbraw/zinc/98/30/48/455983048.db2.gz AKGXMQOMCWLMGZ-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000262013933 455985249 /nfs/dbraw/zinc/98/52/49/455985249.db2.gz WSGIGWVRCIMRBG-NWDGAFQWSA-N 2 1 344.286 3.381 20 0 EGADMP COc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)[C@H](C)C2CC2)c(OC)c1 ZINC000262039429 455989168 /nfs/dbraw/zinc/98/91/68/455989168.db2.gz YEKOHLRQFRXSLN-CVEARBPZSA-N 2 1 332.488 3.304 20 0 EGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000270598428 455993316 /nfs/dbraw/zinc/99/33/16/455993316.db2.gz GLEYZGXHXGHEDE-GOSISDBHSA-N 2 1 337.471 3.404 20 0 EGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000270598428 455993319 /nfs/dbraw/zinc/99/33/19/455993319.db2.gz GLEYZGXHXGHEDE-GOSISDBHSA-N 2 1 337.471 3.404 20 0 EGADMP C[C@H](CO[C@@H]1CCOC1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286188346 455996512 /nfs/dbraw/zinc/99/65/12/455996512.db2.gz RDIWCWCRVMYLSC-WYNBGMTASA-N 2 1 346.515 3.213 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000262356482 456028381 /nfs/dbraw/zinc/02/83/81/456028381.db2.gz HYRGAEYSTOSDFR-JZXOWHBKSA-N 2 1 329.488 3.388 20 0 EGADMP Cc1ccnc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000286361821 456033082 /nfs/dbraw/zinc/03/30/82/456033082.db2.gz ZTIQQVLDFREFRQ-FXAWDEMLSA-N 2 1 339.483 3.198 20 0 EGADMP Cc1ccnc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000286361821 456033088 /nfs/dbraw/zinc/03/30/88/456033088.db2.gz ZTIQQVLDFREFRQ-FXAWDEMLSA-N 2 1 339.483 3.198 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000272670624 456034056 /nfs/dbraw/zinc/03/40/56/456034056.db2.gz KJTUVIGVVPRSRQ-BHIFYINESA-N 3 1 339.527 3.139 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000272670624 456034061 /nfs/dbraw/zinc/03/40/61/456034061.db2.gz KJTUVIGVVPRSRQ-BHIFYINESA-N 3 1 339.527 3.139 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000272670624 456034064 /nfs/dbraw/zinc/03/40/64/456034064.db2.gz KJTUVIGVVPRSRQ-BHIFYINESA-N 3 1 339.527 3.139 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](c2cccnc2)C2CCC2)C[C@H](C)O1 ZINC000280800630 456054464 /nfs/dbraw/zinc/05/44/64/456054464.db2.gz IKASDNJIYGDXRZ-QKLQHJQFSA-N 2 1 331.504 3.402 20 0 EGADMP CCCN(C(=O)CC(C)(C)[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236744041 456179522 /nfs/dbraw/zinc/17/95/22/456179522.db2.gz DWEBQJILIRHHGA-GOSISDBHSA-N 2 1 331.504 3.017 20 0 EGADMP CCCN(C(=O)CC(C)(C)[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236755538 456180647 /nfs/dbraw/zinc/18/06/47/456180647.db2.gz DWEBQJILIRHHGA-SFHVURJKSA-N 2 1 331.504 3.017 20 0 EGADMP COc1cccc2c(N3CCN(c4cc[nH+]cc4)CC3)cc(C)[nH+]c12 ZINC000301677860 456183736 /nfs/dbraw/zinc/18/37/36/456183736.db2.gz QUMQEPYZCHHZBZ-UHFFFAOYSA-N 2 1 334.423 3.273 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2nccc(N(C)C)n2)C1 ZINC000301715578 456195829 /nfs/dbraw/zinc/19/58/29/456195829.db2.gz GQYQKYJFKPFXOZ-MRXNPFEDSA-N 2 1 339.487 3.387 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2nc(N(C)C)cc[nH+]2)C1 ZINC000301715578 456195837 /nfs/dbraw/zinc/19/58/37/456195837.db2.gz GQYQKYJFKPFXOZ-MRXNPFEDSA-N 2 1 339.487 3.387 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2nc(N(C)C)cc[nH+]2)C1 ZINC000301715578 456195841 /nfs/dbraw/zinc/19/58/41/456195841.db2.gz GQYQKYJFKPFXOZ-MRXNPFEDSA-N 2 1 339.487 3.387 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](c2cncc(F)c2)C2CC2)C[C@H](C)O1 ZINC000281344574 456208335 /nfs/dbraw/zinc/20/83/35/456208335.db2.gz UXQLDKMDPLPBOO-KHYOSLBOSA-N 2 1 335.467 3.151 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000263782169 456221824 /nfs/dbraw/zinc/22/18/24/456221824.db2.gz OAUQNLFYBFJISO-UHFFFAOYSA-N 2 1 345.531 3.380 20 0 EGADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000290099365 456239747 /nfs/dbraw/zinc/23/97/47/456239747.db2.gz HWZRFKPYCLLQND-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000290099365 456239751 /nfs/dbraw/zinc/23/97/51/456239751.db2.gz HWZRFKPYCLLQND-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000290099365 456239757 /nfs/dbraw/zinc/23/97/57/456239757.db2.gz HWZRFKPYCLLQND-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000290099365 456239759 /nfs/dbraw/zinc/23/97/59/456239759.db2.gz HWZRFKPYCLLQND-HMXCVIKNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000290099365 456239763 /nfs/dbraw/zinc/23/97/63/456239763.db2.gz HWZRFKPYCLLQND-HMXCVIKNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000290099365 456239765 /nfs/dbraw/zinc/23/97/65/456239765.db2.gz HWZRFKPYCLLQND-HMXCVIKNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000290099365 456239768 /nfs/dbraw/zinc/23/97/68/456239768.db2.gz HWZRFKPYCLLQND-HMXCVIKNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000290099360 456240178 /nfs/dbraw/zinc/24/01/78/456240178.db2.gz HWZRFKPYCLLQND-HLAWJBBLSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000290099360 456240184 /nfs/dbraw/zinc/24/01/84/456240184.db2.gz HWZRFKPYCLLQND-HLAWJBBLSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000290099360 456240186 /nfs/dbraw/zinc/24/01/86/456240186.db2.gz HWZRFKPYCLLQND-HLAWJBBLSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000290099360 456240194 /nfs/dbraw/zinc/24/01/94/456240194.db2.gz HWZRFKPYCLLQND-HLAWJBBLSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000290099360 456240197 /nfs/dbraw/zinc/24/01/97/456240197.db2.gz HWZRFKPYCLLQND-HLAWJBBLSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000290099360 456240202 /nfs/dbraw/zinc/24/02/02/456240202.db2.gz HWZRFKPYCLLQND-HLAWJBBLSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000290099360 456240205 /nfs/dbraw/zinc/24/02/05/456240205.db2.gz HWZRFKPYCLLQND-HLAWJBBLSA-N 3 1 329.532 3.361 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000189184995 456248695 /nfs/dbraw/zinc/24/86/95/456248695.db2.gz OIBNLZUKTHQWRH-PCCBWWKXSA-N 2 1 330.516 3.224 20 0 EGADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCCCOc2ccccc2)CC1 ZINC000275663105 456279674 /nfs/dbraw/zinc/27/96/74/456279674.db2.gz DXCFHYLEEGPMFV-IBGZPJMESA-N 2 1 348.531 3.260 20 0 EGADMP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340171432 456287366 /nfs/dbraw/zinc/28/73/66/456287366.db2.gz DTTDWEVGGBAWSG-AZUAARDMSA-N 2 1 326.488 3.005 20 0 EGADMP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340171432 456287371 /nfs/dbraw/zinc/28/73/71/456287371.db2.gz DTTDWEVGGBAWSG-AZUAARDMSA-N 2 1 326.488 3.005 20 0 EGADMP Clc1ccc2c(n1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000297836672 456305093 /nfs/dbraw/zinc/30/50/93/456305093.db2.gz SCMZITABDCKTAC-YOEHRIQHSA-N 2 1 349.906 3.203 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H](O)c1ccccc1 ZINC000290378226 456310216 /nfs/dbraw/zinc/31/02/16/456310216.db2.gz RQMABUBYWISPDJ-PGRDOPGGSA-N 2 1 338.495 3.405 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn(C)nc1C(C)(C)C ZINC000290379654 456310278 /nfs/dbraw/zinc/31/02/78/456310278.db2.gz IAEWGATYGGPRIA-UHFFFAOYSA-N 2 1 331.508 3.389 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn(C)nc1C(C)(C)C ZINC000290379654 456310280 /nfs/dbraw/zinc/31/02/80/456310280.db2.gz IAEWGATYGGPRIA-UHFFFAOYSA-N 2 1 331.508 3.389 20 0 EGADMP C[N@H+]1CC[C@H](NCC(=O)Nc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000340215893 456320180 /nfs/dbraw/zinc/32/01/80/456320180.db2.gz KYXGYJCWKRIKKF-RBUKOAKNSA-N 2 1 341.430 3.189 20 0 EGADMP CN1CC[C@H]([NH2+]CC(=O)Nc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000340215893 456320187 /nfs/dbraw/zinc/32/01/87/456320187.db2.gz KYXGYJCWKRIKKF-RBUKOAKNSA-N 2 1 341.430 3.189 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000340231252 456326137 /nfs/dbraw/zinc/32/61/37/456326137.db2.gz NNWKXAVIJBYSLH-NSISKUIASA-N 2 1 326.488 3.253 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000297938682 456327831 /nfs/dbraw/zinc/32/78/31/456327831.db2.gz YBIIZTPSSGLHLL-INIZCTEOSA-N 2 1 337.895 3.203 20 0 EGADMP CCOC(=O)CCCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352831677 456346293 /nfs/dbraw/zinc/34/62/93/456346293.db2.gz MPARWKQNJZBFIB-NRFANRHFSA-N 2 1 344.499 3.318 20 0 EGADMP CCOC(=O)CCCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352831677 456346301 /nfs/dbraw/zinc/34/63/01/456346301.db2.gz MPARWKQNJZBFIB-NRFANRHFSA-N 2 1 344.499 3.318 20 0 EGADMP CCOC(=O)CCCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352831677 456346311 /nfs/dbraw/zinc/34/63/11/456346311.db2.gz MPARWKQNJZBFIB-NRFANRHFSA-N 2 1 344.499 3.318 20 0 EGADMP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000347749138 456348382 /nfs/dbraw/zinc/34/83/82/456348382.db2.gz ABBMNZALYGPYJI-VQTJNVASSA-N 2 1 345.531 3.087 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000281929882 456365024 /nfs/dbraw/zinc/36/50/24/456365024.db2.gz KIEXFCQYERGLAB-QGZVFWFLSA-N 2 1 331.504 3.120 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000343088876 456398164 /nfs/dbraw/zinc/39/81/64/456398164.db2.gz BOJQIBUMSMVETR-SFHVURJKSA-N 2 1 340.556 3.059 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)c1OC ZINC000347848841 456403589 /nfs/dbraw/zinc/40/35/89/456403589.db2.gz JANBZQGKJKYTHD-KRWDZBQOSA-N 2 1 332.488 3.320 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)c1OC ZINC000347848841 456403595 /nfs/dbraw/zinc/40/35/95/456403595.db2.gz JANBZQGKJKYTHD-KRWDZBQOSA-N 2 1 332.488 3.320 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000298250072 456404017 /nfs/dbraw/zinc/40/40/17/456404017.db2.gz DJNBMAMSGCRMKS-GOSISDBHSA-N 2 1 345.531 3.122 20 0 EGADMP CC(CC[NH+](C)Cc1ccccn1)CC[N@@H+](C)Cc1ccccn1 ZINC000298385764 456443307 /nfs/dbraw/zinc/44/33/07/456443307.db2.gz OANUFRGVVWWQJR-UHFFFAOYSA-N 2 1 326.488 3.457 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1(C)C ZINC000282222739 456447708 /nfs/dbraw/zinc/44/77/08/456447708.db2.gz IBYZCZLVJNEIHA-RTBURBONSA-N 2 1 329.532 3.184 20 0 EGADMP Clc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000340419844 456450147 /nfs/dbraw/zinc/45/01/47/456450147.db2.gz YMFAHMZHABUWAS-DLBZAZTESA-N 2 1 330.863 3.447 20 0 EGADMP Clc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000340419844 456450154 /nfs/dbraw/zinc/45/01/54/456450154.db2.gz YMFAHMZHABUWAS-DLBZAZTESA-N 2 1 330.863 3.447 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccccc3F)o2)CC1(C)C ZINC000282251803 456455779 /nfs/dbraw/zinc/45/57/79/456455779.db2.gz GPMVSGMRCPGHKM-UHFFFAOYSA-N 2 1 345.462 3.201 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000282290901 456467647 /nfs/dbraw/zinc/46/76/47/456467647.db2.gz LSMGKBSMBDGKIB-QGZVFWFLSA-N 2 1 341.499 3.114 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1(C)C ZINC000282333630 456480338 /nfs/dbraw/zinc/48/03/38/456480338.db2.gz OHANFHMHJWTSKT-HXUWFJFHSA-N 2 1 345.506 3.377 20 0 EGADMP C[C@H](CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)[N@@H+](C)Cc1ccccc1 ZINC000340514088 456503022 /nfs/dbraw/zinc/50/30/22/456503022.db2.gz GRUXTGRPSZKFPS-AFYVEPGGSA-N 2 1 328.500 3.444 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000353123429 456505832 /nfs/dbraw/zinc/50/58/32/456505832.db2.gz IHCXNDZHFAFVML-IBGZPJMESA-N 2 1 326.488 3.360 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000353123429 456505835 /nfs/dbraw/zinc/50/58/35/456505835.db2.gz IHCXNDZHFAFVML-IBGZPJMESA-N 2 1 326.488 3.360 20 0 EGADMP Oc1cc(F)cc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000282433416 456511682 /nfs/dbraw/zinc/51/16/82/456511682.db2.gz FKRDKXBVHHCHSU-HNNXBMFYSA-N 2 1 329.419 3.444 20 0 EGADMP C[N@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000291075130 456519367 /nfs/dbraw/zinc/51/93/67/456519367.db2.gz FUMWOCGYFYJCOW-FCLJQHQZSA-N 2 1 342.405 3.296 20 0 EGADMP C[N@@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000291075130 456519369 /nfs/dbraw/zinc/51/93/69/456519369.db2.gz FUMWOCGYFYJCOW-FCLJQHQZSA-N 2 1 342.405 3.296 20 0 EGADMP C[NH+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000291075130 456519372 /nfs/dbraw/zinc/51/93/72/456519372.db2.gz FUMWOCGYFYJCOW-FCLJQHQZSA-N 2 1 342.405 3.296 20 0 EGADMP C[NH+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000291075130 456519373 /nfs/dbraw/zinc/51/93/73/456519373.db2.gz FUMWOCGYFYJCOW-FCLJQHQZSA-N 2 1 342.405 3.296 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189142 456558296 /nfs/dbraw/zinc/55/82/96/456558296.db2.gz OYDKWOIQMWIDGO-RHSMWYFYSA-N 2 1 344.421 3.403 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189142 456558301 /nfs/dbraw/zinc/55/83/01/456558301.db2.gz OYDKWOIQMWIDGO-RHSMWYFYSA-N 2 1 344.421 3.403 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189142 456558307 /nfs/dbraw/zinc/55/83/07/456558307.db2.gz OYDKWOIQMWIDGO-RHSMWYFYSA-N 2 1 344.421 3.403 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189142 456558314 /nfs/dbraw/zinc/55/83/14/456558314.db2.gz OYDKWOIQMWIDGO-RHSMWYFYSA-N 2 1 344.421 3.403 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189142 456558319 /nfs/dbraw/zinc/55/83/19/456558319.db2.gz OYDKWOIQMWIDGO-RHSMWYFYSA-N 2 1 344.421 3.403 20 0 EGADMP COCc1ccccc1/C=C(\C)C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000353208476 456560126 /nfs/dbraw/zinc/56/01/26/456560126.db2.gz XCQYSOMTNDOJTB-YWXUCKCNSA-N 2 1 346.515 3.327 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000282582386 456560520 /nfs/dbraw/zinc/56/05/20/456560520.db2.gz ZTFWUQOYMBVBCY-DBVUQKKJSA-N 2 1 334.479 3.261 20 0 EGADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2OC)CC1 ZINC000340601564 456562875 /nfs/dbraw/zinc/56/28/75/456562875.db2.gz XGQYCSYDKJHTOZ-INIZCTEOSA-N 2 1 347.503 3.076 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1OCCCO1 ZINC000282622138 456571498 /nfs/dbraw/zinc/57/14/98/456571498.db2.gz ZZTWDMOCSDKQEX-SFHVURJKSA-N 2 1 332.488 3.030 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1OCCCO1 ZINC000282622138 456571504 /nfs/dbraw/zinc/57/15/04/456571504.db2.gz ZZTWDMOCSDKQEX-SFHVURJKSA-N 2 1 332.488 3.030 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291247660 456577895 /nfs/dbraw/zinc/57/78/95/456577895.db2.gz VQWKLIBGMJLSPE-RHSMWYFYSA-N 2 1 344.421 3.403 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291247660 456577905 /nfs/dbraw/zinc/57/79/05/456577905.db2.gz VQWKLIBGMJLSPE-RHSMWYFYSA-N 2 1 344.421 3.403 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000291267623 456586028 /nfs/dbraw/zinc/58/60/28/456586028.db2.gz XPZDYRIYUJSZRW-HOTGVXAUSA-N 2 1 330.394 3.155 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000291267623 456586031 /nfs/dbraw/zinc/58/60/31/456586031.db2.gz XPZDYRIYUJSZRW-HOTGVXAUSA-N 2 1 330.394 3.155 20 0 EGADMP C[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCCC[C@@H]1C ZINC000353260329 456593898 /nfs/dbraw/zinc/59/38/98/456593898.db2.gz OOQDFHJKCSERPK-ZWKOTPCHSA-N 2 1 343.515 3.275 20 0 EGADMP COC1(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCCC1 ZINC000319744772 456623876 /nfs/dbraw/zinc/62/38/76/456623876.db2.gz WOPTVOAJBGUBNA-HXUWFJFHSA-N 2 1 346.515 3.216 20 0 EGADMP COC1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCCC1 ZINC000319744772 456623879 /nfs/dbraw/zinc/62/38/79/456623879.db2.gz WOPTVOAJBGUBNA-HXUWFJFHSA-N 2 1 346.515 3.216 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[NH+](C)[C@H]2C)cc1 ZINC000343445058 456626768 /nfs/dbraw/zinc/62/67/68/456626768.db2.gz NQFXJXWTUDSQFZ-LPHOPBHVSA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000343445058 456626773 /nfs/dbraw/zinc/62/67/73/456626773.db2.gz NQFXJXWTUDSQFZ-LPHOPBHVSA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000343445058 456626774 /nfs/dbraw/zinc/62/67/74/456626774.db2.gz NQFXJXWTUDSQFZ-LPHOPBHVSA-N 2 1 331.504 3.131 20 0 EGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000276951753 456629819 /nfs/dbraw/zinc/62/98/19/456629819.db2.gz VKHCGCLHRQJPPJ-INIZCTEOSA-N 2 1 348.487 3.011 20 0 EGADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000320718982 456632210 /nfs/dbraw/zinc/63/22/10/456632210.db2.gz VKXYKYLBBFPSDH-ZHALLVOQSA-N 2 1 346.515 3.464 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3CCCF)cc2)CC1 ZINC000337993700 456643352 /nfs/dbraw/zinc/64/33/52/456643352.db2.gz SPCOEKDYQBREOT-RTWAWAEBSA-N 2 1 347.522 3.442 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CSCCc3ccccc32)CCCO1 ZINC000348422091 456679996 /nfs/dbraw/zinc/67/99/96/456679996.db2.gz MZLLZQAWCNEWBE-VQIMIIECSA-N 2 1 334.529 3.108 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C(=O)OCC)o1 ZINC000277164335 456703989 /nfs/dbraw/zinc/70/39/89/456703989.db2.gz KKSGRFRAKIGMBN-UHFFFAOYSA-N 2 1 333.432 3.127 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C(=O)OCC)o1 ZINC000277164335 456703995 /nfs/dbraw/zinc/70/39/95/456703995.db2.gz KKSGRFRAKIGMBN-UHFFFAOYSA-N 2 1 333.432 3.127 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000353490436 456709973 /nfs/dbraw/zinc/70/99/73/456709973.db2.gz QQECYHOEHPRFEO-YJBOKZPZSA-N 2 1 332.467 3.359 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000353505825 456721747 /nfs/dbraw/zinc/72/17/47/456721747.db2.gz YYNJNXMKDSMDSB-DYESRHJHSA-N 2 1 343.515 3.067 20 0 EGADMP COC(=O)C1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000277206626 456723304 /nfs/dbraw/zinc/72/33/04/456723304.db2.gz KKDJXZRVSJZOHB-ACAXCVFMSA-N 2 1 344.499 3.218 20 0 EGADMP COC(=O)C1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000277206626 456723307 /nfs/dbraw/zinc/72/33/07/456723307.db2.gz KKDJXZRVSJZOHB-ACAXCVFMSA-N 2 1 344.499 3.218 20 0 EGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CS1 ZINC000277228889 456734131 /nfs/dbraw/zinc/73/41/31/456734131.db2.gz MCGUGQNBQCTQIS-QYZOEREBSA-N 2 1 348.556 3.263 20 0 EGADMP Cc1cccc([C@@H]2CC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)c1 ZINC000283470662 456787051 /nfs/dbraw/zinc/78/70/51/456787051.db2.gz ZNDSXWNXLNWELY-OAQYLSRUSA-N 2 1 329.532 3.200 20 0 EGADMP CC[C@H]([NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C1CCOCC1 ZINC000344201242 456806492 /nfs/dbraw/zinc/80/64/92/456806492.db2.gz WSRQDNHUDWMMDD-HNNXBMFYSA-N 2 1 337.533 3.204 20 0 EGADMP CC[C@H]([NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C1CCOCC1 ZINC000344201242 456806499 /nfs/dbraw/zinc/80/64/99/456806499.db2.gz WSRQDNHUDWMMDD-HNNXBMFYSA-N 2 1 337.533 3.204 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000291969398 456815197 /nfs/dbraw/zinc/81/51/97/456815197.db2.gz RYXNYDIPMPWCJQ-PVAVHDDUSA-N 2 1 342.405 3.155 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000291969398 456815204 /nfs/dbraw/zinc/81/52/04/456815204.db2.gz RYXNYDIPMPWCJQ-PVAVHDDUSA-N 2 1 342.405 3.155 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000291996924 456824305 /nfs/dbraw/zinc/82/43/05/456824305.db2.gz ALNOZCWMYYLIHJ-VQIMIIECSA-N 2 1 331.435 3.478 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000338776699 456856586 /nfs/dbraw/zinc/85/65/86/456856586.db2.gz LTSMCRHECVYPQW-SAKMYQHLSA-N 2 1 330.472 3.241 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000338776699 456856589 /nfs/dbraw/zinc/85/65/89/456856589.db2.gz LTSMCRHECVYPQW-SAKMYQHLSA-N 2 1 330.472 3.241 20 0 EGADMP Cc1ccc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000358875711 457018454 /nfs/dbraw/zinc/01/84/54/457018454.db2.gz TVVHGPPMWOTUKZ-KDURUIRLSA-N 2 1 346.515 3.085 20 0 EGADMP Cc1ccc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000358875711 457018458 /nfs/dbraw/zinc/01/84/58/457018458.db2.gz TVVHGPPMWOTUKZ-KDURUIRLSA-N 2 1 346.515 3.085 20 0 EGADMP CC[C@H](C(=O)NC1CC[NH+](CC(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000339269034 457031609 /nfs/dbraw/zinc/03/16/09/457031609.db2.gz HPUVVJGKJZLAIT-HXUWFJFHSA-N 2 1 345.531 3.134 20 0 EGADMP COc1cc(C)c(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1OC ZINC000354096698 457059276 /nfs/dbraw/zinc/05/92/76/457059276.db2.gz KTIHAYTUSGXMDH-KRWDZBQOSA-N 2 1 332.488 3.176 20 0 EGADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1OC ZINC000354096698 457059280 /nfs/dbraw/zinc/05/92/80/457059280.db2.gz KTIHAYTUSGXMDH-KRWDZBQOSA-N 2 1 332.488 3.176 20 0 EGADMP COc1cc(C)c(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1OC ZINC000354096698 457059284 /nfs/dbraw/zinc/05/92/84/457059284.db2.gz KTIHAYTUSGXMDH-KRWDZBQOSA-N 2 1 332.488 3.176 20 0 EGADMP COc1cc(C)c(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1OC ZINC000354096698 457059286 /nfs/dbraw/zinc/05/92/86/457059286.db2.gz KTIHAYTUSGXMDH-KRWDZBQOSA-N 2 1 332.488 3.176 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000354109306 457068785 /nfs/dbraw/zinc/06/87/85/457068785.db2.gz ZSNAYOYXNMZPLV-OAHLLOKOSA-N 2 1 339.549 3.373 20 0 EGADMP CC(C)N(C)c1ccc(C[N@H+](CCC[NH3+])Cc2ccccc2)cn1 ZINC000339408479 457097858 /nfs/dbraw/zinc/09/78/58/457097858.db2.gz SGCITPFBDGQLCD-UHFFFAOYSA-N 2 1 326.488 3.277 20 0 EGADMP CC(C)N(C)c1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)cn1 ZINC000339408479 457097862 /nfs/dbraw/zinc/09/78/62/457097862.db2.gz SGCITPFBDGQLCD-UHFFFAOYSA-N 2 1 326.488 3.277 20 0 EGADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC000359669464 457107791 /nfs/dbraw/zinc/10/77/91/457107791.db2.gz DGGHFEFEMKAQQS-WIYYLYMNSA-N 2 1 329.532 3.348 20 0 EGADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCN(C)C[C@H]3C)cc2)CC1 ZINC000359669464 457107795 /nfs/dbraw/zinc/10/77/95/457107795.db2.gz DGGHFEFEMKAQQS-WIYYLYMNSA-N 2 1 329.532 3.348 20 0 EGADMP COc1sc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1Br ZINC000346680403 457109502 /nfs/dbraw/zinc/10/95/02/457109502.db2.gz NLLXXISSZADQGR-LBPRGKRZSA-N 2 1 335.311 3.324 20 0 EGADMP COc1sc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1Br ZINC000346680403 457109503 /nfs/dbraw/zinc/10/95/03/457109503.db2.gz NLLXXISSZADQGR-LBPRGKRZSA-N 2 1 335.311 3.324 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(-c2ccnn2C)c1 ZINC000354177191 457112273 /nfs/dbraw/zinc/11/22/73/457112273.db2.gz NVRDPHBCIHIURU-NRFANRHFSA-N 2 1 338.499 3.313 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(-c2ccnn2C)c1 ZINC000354177191 457112276 /nfs/dbraw/zinc/11/22/76/457112276.db2.gz NVRDPHBCIHIURU-NRFANRHFSA-N 2 1 338.499 3.313 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(-c2ccnn2C)c1 ZINC000354177191 457112279 /nfs/dbraw/zinc/11/22/79/457112279.db2.gz NVRDPHBCIHIURU-NRFANRHFSA-N 2 1 338.499 3.313 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342128106 457124759 /nfs/dbraw/zinc/12/47/59/457124759.db2.gz FZMITGQUNOTHMI-SZMVWBNQSA-N 2 1 329.488 3.116 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342128106 457124766 /nfs/dbraw/zinc/12/47/66/457124766.db2.gz FZMITGQUNOTHMI-SZMVWBNQSA-N 2 1 329.488 3.116 20 0 EGADMP CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1OC(F)F ZINC000346825148 457179011 /nfs/dbraw/zinc/17/90/11/457179011.db2.gz LHYMSEOSNGKKMW-QEJZJMRPSA-N 2 1 340.414 3.246 20 0 EGADMP CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1OC(F)F ZINC000346825148 457179014 /nfs/dbraw/zinc/17/90/14/457179014.db2.gz LHYMSEOSNGKKMW-QEJZJMRPSA-N 2 1 340.414 3.246 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000347042744 457200176 /nfs/dbraw/zinc/20/01/76/457200176.db2.gz MAJFXTAOJHSKAK-KRWDZBQOSA-N 2 1 325.456 3.092 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000347042744 457200180 /nfs/dbraw/zinc/20/01/80/457200180.db2.gz MAJFXTAOJHSKAK-KRWDZBQOSA-N 2 1 325.456 3.092 20 0 EGADMP CCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(Cl)c1OC ZINC000347073701 457217204 /nfs/dbraw/zinc/21/72/04/457217204.db2.gz SAVWPFTTWYAQJL-YIONKMFJSA-N 2 1 338.879 3.462 20 0 EGADMP CCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(Cl)c1OC ZINC000347073701 457217208 /nfs/dbraw/zinc/21/72/08/457217208.db2.gz SAVWPFTTWYAQJL-YIONKMFJSA-N 2 1 338.879 3.462 20 0 EGADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC(F)F ZINC000360054047 457228657 /nfs/dbraw/zinc/22/86/57/457228657.db2.gz MNTPHGVZPPFQJB-DYEKYZERSA-N 2 1 328.403 3.430 20 0 EGADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC(F)F ZINC000360054047 457228664 /nfs/dbraw/zinc/22/86/64/457228664.db2.gz MNTPHGVZPPFQJB-DYEKYZERSA-N 2 1 328.403 3.430 20 0 EGADMP Cc1cc(C)n(CC[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000357005670 457270784 /nfs/dbraw/zinc/27/07/84/457270784.db2.gz AVIYVEPHLXUGDY-GOSISDBHSA-N 2 1 332.536 3.476 20 0 EGADMP C[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347185986 457277196 /nfs/dbraw/zinc/27/71/96/457277196.db2.gz ZFWSUILYZVCVMG-SJPCQFCGSA-N 2 1 330.863 3.445 20 0 EGADMP C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347185986 457277199 /nfs/dbraw/zinc/27/71/99/457277199.db2.gz ZFWSUILYZVCVMG-SJPCQFCGSA-N 2 1 330.863 3.445 20 0 EGADMP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357079691 457312073 /nfs/dbraw/zinc/31/20/73/457312073.db2.gz LHHIVTSBZWPUBP-HOCLYGCPSA-N 2 1 347.528 3.057 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCC[C@H](C)C2)CC1)CC1CC1 ZINC000357085673 457314399 /nfs/dbraw/zinc/31/43/99/457314399.db2.gz NIDLACHPWQHGRM-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000352503429 457421731 /nfs/dbraw/zinc/42/17/31/457421731.db2.gz GELZMFLLPBVZAK-QGZVFWFLSA-N 2 1 325.456 3.372 20 0 EGADMP CC[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1ccc(Cl)cc1 ZINC000352520151 457435156 /nfs/dbraw/zinc/43/51/56/457435156.db2.gz VTWGSAVSKQMQBP-IAGOWNOFSA-N 2 1 337.895 3.111 20 0 EGADMP CC[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccc(Cl)cc1 ZINC000352520151 457435160 /nfs/dbraw/zinc/43/51/60/457435160.db2.gz VTWGSAVSKQMQBP-IAGOWNOFSA-N 2 1 337.895 3.111 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352540067 457450306 /nfs/dbraw/zinc/45/03/06/457450306.db2.gz GTDVVOYAFABTJT-OAQYLSRUSA-N 2 1 329.532 3.220 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352545868 457455757 /nfs/dbraw/zinc/45/57/57/457455757.db2.gz MNHPENNGWPEHPP-NRFANRHFSA-N 2 1 337.467 3.333 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352545868 457455760 /nfs/dbraw/zinc/45/57/60/457455760.db2.gz MNHPENNGWPEHPP-NRFANRHFSA-N 2 1 337.467 3.333 20 0 EGADMP CCCCCC[C@H](C)CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364204998 457525426 /nfs/dbraw/zinc/52/54/26/457525426.db2.gz DJKXSDKNGFLGNL-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](C)CCOC1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000356224728 457548278 /nfs/dbraw/zinc/54/82/78/457548278.db2.gz PJHUDQPJRFNSFX-UHFFFAOYSA-N 2 1 333.863 3.435 20 0 EGADMP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361182491 457634400 /nfs/dbraw/zinc/63/44/00/457634400.db2.gz BIXOWFOULWPQIQ-HNAYVOBHSA-N 2 1 332.463 3.294 20 0 EGADMP CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC)cc1 ZINC000361260502 457670344 /nfs/dbraw/zinc/67/03/44/457670344.db2.gz BZZLZAXKGIIWKN-AZUAARDMSA-N 2 1 334.504 3.219 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000357742612 457675397 /nfs/dbraw/zinc/67/53/97/457675397.db2.gz LMPHVTUOFZGMRB-PKOBYXMFSA-N 2 1 348.535 3.017 20 0 EGADMP CC[C@H](NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1OC(F)F ZINC000370632487 457687249 /nfs/dbraw/zinc/68/72/49/457687249.db2.gz BDQSWZLLFPLMKD-LZWOXQAQSA-N 2 1 340.414 3.192 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1OC(F)F ZINC000370632487 457687253 /nfs/dbraw/zinc/68/72/53/457687253.db2.gz BDQSWZLLFPLMKD-LZWOXQAQSA-N 2 1 340.414 3.192 20 0 EGADMP CC(C)CC[C@H](O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000361316677 457690332 /nfs/dbraw/zinc/69/03/32/457690332.db2.gz SXLZICBUSYMIFT-FQEVSTJZSA-N 2 1 333.520 3.417 20 0 EGADMP Cc1cc(C)c([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1C ZINC000361346317 457701091 /nfs/dbraw/zinc/70/10/91/457701091.db2.gz NYJBSXMJRHJWRQ-SFHVURJKSA-N 2 1 345.531 3.205 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000358077705 457769247 /nfs/dbraw/zinc/76/92/47/457769247.db2.gz ABXQPCHQBHGNHJ-HNNXBMFYSA-N 2 1 349.906 3.298 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000358086793 457777302 /nfs/dbraw/zinc/77/73/02/457777302.db2.gz OTYYILRXMDOXHJ-WWGRRREGSA-N 2 1 338.879 3.320 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000358086793 457777312 /nfs/dbraw/zinc/77/73/12/457777312.db2.gz OTYYILRXMDOXHJ-WWGRRREGSA-N 2 1 338.879 3.320 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccccc2C[NH+](C)C)c1 ZINC000433311081 457807089 /nfs/dbraw/zinc/80/70/89/457807089.db2.gz FOJLJHFNSDJCTA-UHFFFAOYSA-N 2 1 339.483 3.130 20 0 EGADMP C[C@@H](CC[NH+](C)C[C@@H]1CCCOC1)CC[N@@H+](C)C[C@H]1CCCOC1 ZINC000411268444 457845922 /nfs/dbraw/zinc/84/59/22/457845922.db2.gz DELSBNIGDDLDBM-OWZKRDHZSA-N 2 1 340.552 3.120 20 0 EGADMP C[C@H](CC[NH+](C)C[C@H]1CCCOC1)CC[N@H+](C)C[C@@H]1CCCOC1 ZINC000411268444 457845928 /nfs/dbraw/zinc/84/59/28/457845928.db2.gz DELSBNIGDDLDBM-OWZKRDHZSA-N 2 1 340.552 3.120 20 0 EGADMP C[C@H](CC[NH+](C)C[C@H]1CCCOC1)CC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000411268444 457845935 /nfs/dbraw/zinc/84/59/35/457845935.db2.gz DELSBNIGDDLDBM-OWZKRDHZSA-N 2 1 340.552 3.120 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000411321817 457858403 /nfs/dbraw/zinc/85/84/03/457858403.db2.gz JBPWLOCAQLPICB-PMACEKPBSA-N 2 1 346.540 3.379 20 0 EGADMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(F)cc1 ZINC000358215685 457865943 /nfs/dbraw/zinc/86/59/43/457865943.db2.gz WILNOIYTIWGZJA-UHFFFAOYSA-N 2 1 349.494 3.025 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCCCOc1ccccc1 ZINC000375355622 457894819 /nfs/dbraw/zinc/89/48/19/457894819.db2.gz KNTNSMGZLAFNNG-HMXCVIKNSA-N 2 1 346.515 3.419 20 0 EGADMP CC(C)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000367030345 457920913 /nfs/dbraw/zinc/92/09/13/457920913.db2.gz QDICERZQCGGINB-WIYYLYMNSA-N 2 1 329.532 3.268 20 0 EGADMP O[C@]1(C[NH2+][C@H]2CCCc3sccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000361876062 457923091 /nfs/dbraw/zinc/92/30/91/457923091.db2.gz CJPYCFRFBGVPHU-ICSRJNTNSA-N 2 1 342.508 3.352 20 0 EGADMP O[C@]1(C[NH2+][C@H]2CCCc3sccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000361876062 457923096 /nfs/dbraw/zinc/92/30/96/457923096.db2.gz CJPYCFRFBGVPHU-ICSRJNTNSA-N 2 1 342.508 3.352 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC000367199230 457934432 /nfs/dbraw/zinc/93/44/32/457934432.db2.gz JBWNHYAIYMIKTO-GOSISDBHSA-N 2 1 343.515 3.438 20 0 EGADMP COCC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCO[C@H]1C ZINC000411658848 457941818 /nfs/dbraw/zinc/94/18/18/457941818.db2.gz XKTYYIUDJDIWGZ-RXVVDRJESA-N 2 1 346.515 3.298 20 0 EGADMP FC(F)(F)COCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375740321 458044285 /nfs/dbraw/zinc/04/42/85/458044285.db2.gz AWHMSYGCGCXAIV-QGZVFWFLSA-N 2 1 342.405 3.163 20 0 EGADMP C[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375818373 458080663 /nfs/dbraw/zinc/08/06/63/458080663.db2.gz WCRJDPQIHIZXMV-UIAACRFSSA-N 2 1 347.934 3.285 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000369184135 458115815 /nfs/dbraw/zinc/11/58/15/458115815.db2.gz PKJKTDZGXOHZSR-QFUCXCTJSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000369184135 458115822 /nfs/dbraw/zinc/11/58/22/458115822.db2.gz PKJKTDZGXOHZSR-QFUCXCTJSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000369184135 458115826 /nfs/dbraw/zinc/11/58/26/458115826.db2.gz PKJKTDZGXOHZSR-QFUCXCTJSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000369184135 458115833 /nfs/dbraw/zinc/11/58/33/458115833.db2.gz PKJKTDZGXOHZSR-QFUCXCTJSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000369184135 458115841 /nfs/dbraw/zinc/11/58/41/458115841.db2.gz PKJKTDZGXOHZSR-QFUCXCTJSA-N 2 1 327.516 3.113 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000435370955 458122614 /nfs/dbraw/zinc/12/26/14/458122614.db2.gz KNDBFERUFSOWFR-JSGCOSHPSA-N 2 1 346.393 3.196 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000435372413 458122715 /nfs/dbraw/zinc/12/27/15/458122715.db2.gz AOWJIIGSSOVVFC-KRWDZBQOSA-N 2 1 346.906 3.243 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000435372413 458122718 /nfs/dbraw/zinc/12/27/18/458122718.db2.gz AOWJIIGSSOVVFC-KRWDZBQOSA-N 2 1 346.906 3.243 20 0 EGADMP Cc1nc(COc2ccc(C[N@H+]3CCC[C@@H](C[NH3+])C3)cc2)cs1 ZINC000435371652 458123233 /nfs/dbraw/zinc/12/32/33/458123233.db2.gz WCOIKLSJPAYYPZ-INIZCTEOSA-N 2 1 331.485 3.201 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[C@H]1[NH3+] ZINC000435378828 458128446 /nfs/dbraw/zinc/12/84/46/458128446.db2.gz KDRPPIUIDOMYSL-OXQOHEQNSA-N 2 1 347.466 3.103 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[C@H]1[NH3+] ZINC000435378828 458128452 /nfs/dbraw/zinc/12/84/52/458128452.db2.gz KDRPPIUIDOMYSL-OXQOHEQNSA-N 2 1 347.466 3.103 20 0 EGADMP Cc1nc(COc2ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc2)cs1 ZINC000435381785 458130028 /nfs/dbraw/zinc/13/00/28/458130028.db2.gz YDKOEKNFUMTEQC-UHFFFAOYSA-N 2 1 333.501 3.447 20 0 EGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000435384445 458132422 /nfs/dbraw/zinc/13/24/22/458132422.db2.gz MLNDFCQTWZASBC-GOSISDBHSA-N 2 1 340.515 3.270 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000435384445 458132431 /nfs/dbraw/zinc/13/24/31/458132431.db2.gz MLNDFCQTWZASBC-GOSISDBHSA-N 2 1 340.515 3.270 20 0 EGADMP C[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435438561 458147985 /nfs/dbraw/zinc/14/79/85/458147985.db2.gz QBUGIDJZRUXODZ-CYBMUJFWSA-N 2 1 334.357 3.341 20 0 EGADMP COc1sc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1Br ZINC000435440143 458148436 /nfs/dbraw/zinc/14/84/36/458148436.db2.gz ZSAHPJRCDBQMLJ-SNVBAGLBSA-N 2 1 333.295 3.093 20 0 EGADMP COc1sc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1Br ZINC000435440143 458148429 /nfs/dbraw/zinc/14/84/29/458148429.db2.gz ZSAHPJRCDBQMLJ-SNVBAGLBSA-N 2 1 333.295 3.093 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000428496412 458157450 /nfs/dbraw/zinc/15/74/50/458157450.db2.gz PJTGBBYEISGKQP-UHFFFAOYSA-N 2 1 331.504 3.310 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)F)CC1 ZINC000358722840 458170705 /nfs/dbraw/zinc/17/07/05/458170705.db2.gz KHNITRGLFFVKAN-IRXDYDNUSA-N 2 1 340.458 3.076 20 0 EGADMP c1ccc(OCCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435620065 458175320 /nfs/dbraw/zinc/17/53/20/458175320.db2.gz YZUBCJVPGCKKBN-FQEVSTJZSA-N 2 1 339.483 3.495 20 0 EGADMP c1ccc(OCCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435620065 458175323 /nfs/dbraw/zinc/17/53/23/458175323.db2.gz YZUBCJVPGCKKBN-FQEVSTJZSA-N 2 1 339.483 3.495 20 0 EGADMP Cc1cc(NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)nc(C)[nH+]1 ZINC000358730723 458175361 /nfs/dbraw/zinc/17/53/61/458175361.db2.gz GLYZUWQIEZPIKO-QGZVFWFLSA-N 2 1 330.863 3.418 20 0 EGADMP CC[N@H+](CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000435630789 458176797 /nfs/dbraw/zinc/17/67/97/458176797.db2.gz YLWQEJDRGKTENE-FPOVZHCZSA-N 2 1 343.515 3.026 20 0 EGADMP CC[N@@H+](CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000435630789 458176804 /nfs/dbraw/zinc/17/68/04/458176804.db2.gz YLWQEJDRGKTENE-FPOVZHCZSA-N 2 1 343.515 3.026 20 0 EGADMP CC(C)C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(Br)c1 ZINC000358755212 458195856 /nfs/dbraw/zinc/19/58/56/458195856.db2.gz NTWDOPYKGVWNAE-HOTGVXAUSA-N 2 1 343.309 3.048 20 0 EGADMP COC[C@@H]1CCCC[NH+](CCCC[N@@H+]2CCCC[C@@H](COC)C2)C1 ZINC000372109742 458198286 /nfs/dbraw/zinc/19/82/86/458198286.db2.gz VNKLUQKPJNQBMI-WOJBJXKFSA-N 2 1 340.552 3.264 20 0 EGADMP Cc1nn(C)c(Cl)c1CNC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000376145346 458211308 /nfs/dbraw/zinc/21/13/08/458211308.db2.gz ALQKWSJDZYKOOQ-IBGZPJMESA-N 2 1 346.906 3.384 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000369441361 458214610 /nfs/dbraw/zinc/21/46/10/458214610.db2.gz JDPQXJZGKQHDSM-QFIPXVFZSA-N 2 1 337.511 3.440 20 0 EGADMP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428860645 458225083 /nfs/dbraw/zinc/22/50/83/458225083.db2.gz HDPBMVVZNLVABC-KGLIPLIRSA-N 2 1 348.434 3.234 20 0 EGADMP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]Cc2ccccc21 ZINC000428900091 458229980 /nfs/dbraw/zinc/22/99/80/458229980.db2.gz YLYKPOYMJQHTQM-HXUWFJFHSA-N 2 1 349.478 3.035 20 0 EGADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]Cc2ccccc21 ZINC000428900091 458229987 /nfs/dbraw/zinc/22/99/87/458229987.db2.gz YLYKPOYMJQHTQM-HXUWFJFHSA-N 2 1 349.478 3.035 20 0 EGADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCCO[C@H]3CCCCO3)C2)[nH+]1 ZINC000358831472 458245710 /nfs/dbraw/zinc/24/57/10/458245710.db2.gz PBCWZGJDKGTZKZ-HKUYNNGSSA-N 2 1 333.476 3.057 20 0 EGADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCO[C@H]3CCCCO3)C2)[nH+]1 ZINC000358831472 458245712 /nfs/dbraw/zinc/24/57/12/458245712.db2.gz PBCWZGJDKGTZKZ-HKUYNNGSSA-N 2 1 333.476 3.057 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000436249566 458276888 /nfs/dbraw/zinc/27/68/88/458276888.db2.gz DZZBRBDKDFOJGP-VQTJNVASSA-N 2 1 343.515 3.203 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000436249566 458276892 /nfs/dbraw/zinc/27/68/92/458276892.db2.gz DZZBRBDKDFOJGP-VQTJNVASSA-N 2 1 343.515 3.203 20 0 EGADMP COc1cccc(C2([NH2+]CCCn3cc[nH+]c3C)CCOCC2)c1F ZINC000447355614 458289030 /nfs/dbraw/zinc/28/90/30/458289030.db2.gz SALOXCDUTXKLIN-UHFFFAOYSA-N 2 1 347.434 3.025 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000447589403 458317756 /nfs/dbraw/zinc/31/77/56/458317756.db2.gz XUVNEESTTSIYJL-JENIJYKNSA-N 2 1 326.488 3.371 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@H+](CCOc2cccc(Br)c2)CC1 ZINC000429532947 458341567 /nfs/dbraw/zinc/34/15/67/458341567.db2.gz YTXCEISEHXKZBZ-OAHLLOKOSA-N 2 1 341.293 3.244 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOc2cccc(Br)c2)CC1 ZINC000429532947 458341569 /nfs/dbraw/zinc/34/15/69/458341569.db2.gz YTXCEISEHXKZBZ-OAHLLOKOSA-N 2 1 341.293 3.244 20 0 EGADMP O[C@]1(C[NH2+]CCc2ccc(Cl)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000459444727 458373564 /nfs/dbraw/zinc/37/35/64/458373564.db2.gz ZUVXOPHMWDSBEG-FQEVSTJZSA-N 2 1 344.886 3.109 20 0 EGADMP O[C@]1(C[NH2+]CCc2ccc(Cl)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000459444727 458373567 /nfs/dbraw/zinc/37/35/67/458373567.db2.gz ZUVXOPHMWDSBEG-FQEVSTJZSA-N 2 1 344.886 3.109 20 0 EGADMP C[C@H](CC[NH2+]Cc1ccccc1N1CCO[C@H](C)C1)[NH+]1CCCCC1 ZINC000459490709 458389694 /nfs/dbraw/zinc/38/96/94/458389694.db2.gz XDADKVGSXASGLA-RTBURBONSA-N 2 1 345.531 3.266 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2Cc3ccccc3N(C)C[C@@H]2C)cc1 ZINC000420313453 458398490 /nfs/dbraw/zinc/39/84/90/458398490.db2.gz JCIWQNRHFGNVKV-QFBILLFUSA-N 2 1 339.483 3.078 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc2c(c1)CCCC2 ZINC000430235974 458426483 /nfs/dbraw/zinc/42/64/83/458426483.db2.gz GBKOXVLQRLPXEU-NJYVYQBISA-N 2 1 328.500 3.249 20 0 EGADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423453357 458435787 /nfs/dbraw/zinc/43/57/87/458435787.db2.gz KNCIFAUKDWCSQH-AYWYSENESA-N 2 1 329.532 3.394 20 0 EGADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000423504288 458445026 /nfs/dbraw/zinc/44/50/26/458445026.db2.gz KYBDGFCQCYOHSX-CDJZJNNCSA-N 3 1 341.543 3.394 20 0 EGADMP COc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1OC(F)F ZINC000423532769 458453463 /nfs/dbraw/zinc/45/34/63/458453463.db2.gz RVVMSCYLVRLETI-FZMZJTMJSA-N 2 1 328.403 3.465 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)C1 ZINC000459732494 458460357 /nfs/dbraw/zinc/46/03/57/458460357.db2.gz GABZDICMTQNREH-YUMYIRISSA-N 3 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000459732494 458460363 /nfs/dbraw/zinc/46/03/63/458460363.db2.gz GABZDICMTQNREH-YUMYIRISSA-N 3 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000459732494 458460364 /nfs/dbraw/zinc/46/03/64/458460364.db2.gz GABZDICMTQNREH-YUMYIRISSA-N 3 1 341.543 3.219 20 0 EGADMP Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430558899 458461320 /nfs/dbraw/zinc/46/13/20/458461320.db2.gz ZFLRVXZGYMAYCY-UHFFFAOYSA-N 2 1 335.473 3.041 20 0 EGADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000430556224 458461396 /nfs/dbraw/zinc/46/13/96/458461396.db2.gz KIIFNRSIPIRYPR-UHFFFAOYSA-N 2 1 331.504 3.378 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000430576224 458465795 /nfs/dbraw/zinc/46/57/95/458465795.db2.gz RYPDAGDDJJJFKA-XHSDSOJGSA-N 2 1 337.533 3.105 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000430576224 458465797 /nfs/dbraw/zinc/46/57/97/458465797.db2.gz RYPDAGDDJJJFKA-XHSDSOJGSA-N 2 1 337.533 3.105 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000430593644 458468360 /nfs/dbraw/zinc/46/83/60/458468360.db2.gz PHRGRSHSGYOEEI-CQSZACIVSA-N 2 1 329.847 3.113 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](CC)CC ZINC000430663165 458476570 /nfs/dbraw/zinc/47/65/70/458476570.db2.gz FMYKVZDEXWCVGV-DFQSSKMNSA-N 2 1 345.531 3.276 20 0 EGADMP C[C@H](C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423736768 458477269 /nfs/dbraw/zinc/47/72/69/458477269.db2.gz YYKXSSTXVQKRQC-SQIBXOBRSA-N 2 1 343.515 3.186 20 0 EGADMP Cc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(-c2ccnn2C)c1 ZINC000459784754 458477773 /nfs/dbraw/zinc/47/77/73/458477773.db2.gz OMGMCYNMYABJSQ-QGZVFWFLSA-N 2 1 326.488 3.217 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c(F)cccc2Br)C1 ZINC000459800676 458482944 /nfs/dbraw/zinc/48/29/44/458482944.db2.gz ZWRXIKXTHIUGPH-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP CCN(C(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1)c1cccc2ccccc21 ZINC000430967075 458511689 /nfs/dbraw/zinc/51/16/89/458511689.db2.gz QMBGNVXJNYBMJB-WMZOPIPTSA-N 2 1 339.483 3.252 20 0 EGADMP CCN(C(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1)c1cccc2ccccc21 ZINC000430967075 458511693 /nfs/dbraw/zinc/51/16/93/458511693.db2.gz QMBGNVXJNYBMJB-WMZOPIPTSA-N 2 1 339.483 3.252 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)[C@H]3CCC[C@@H]32)cc1 ZINC000453117525 458518892 /nfs/dbraw/zinc/51/88/92/458518892.db2.gz JJYZJWHODOODJB-YQPXSLGVSA-N 2 1 326.484 3.339 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000431042424 458521237 /nfs/dbraw/zinc/52/12/37/458521237.db2.gz HKSHFGLUYHDMHS-RMJJICAUSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431042424 458521242 /nfs/dbraw/zinc/52/12/42/458521242.db2.gz HKSHFGLUYHDMHS-RMJJICAUSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431042424 458521250 /nfs/dbraw/zinc/52/12/50/458521250.db2.gz HKSHFGLUYHDMHS-RMJJICAUSA-N 2 1 343.515 3.029 20 0 EGADMP CC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000431080157 458526529 /nfs/dbraw/zinc/52/65/29/458526529.db2.gz LDIMOQAFNFEEJR-MRXNPFEDSA-N 2 1 348.466 3.492 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377823567 458541761 /nfs/dbraw/zinc/54/17/61/458541761.db2.gz KSKBLMHEUOUAJM-GOSISDBHSA-N 2 1 347.547 3.118 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1cccs1 ZINC000431569837 458590225 /nfs/dbraw/zinc/59/02/25/458590225.db2.gz HRBVIDLABQTWTE-SJORKVTESA-N 2 1 349.544 3.264 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000424239908 458590586 /nfs/dbraw/zinc/59/05/86/458590586.db2.gz MOYWNTYNVSVUII-HXUWFJFHSA-N 2 1 337.467 3.447 20 0 EGADMP COc1cccc(NC(=[NH2+])NC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000373748376 458590623 /nfs/dbraw/zinc/59/06/23/458590623.db2.gz QNJRBIPEEGUJSS-QGZVFWFLSA-N 2 1 330.476 3.429 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccco1 ZINC000438551732 458596373 /nfs/dbraw/zinc/59/63/73/458596373.db2.gz GEEVKOVECOIZTB-MSOLQXFVSA-N 2 1 347.503 3.186 20 0 EGADMP CC(C)(C)OC(=O)CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000462124546 458596439 /nfs/dbraw/zinc/59/64/39/458596439.db2.gz VXKJBJWHMCQCKZ-UHFFFAOYSA-N 2 1 346.515 3.405 20 0 EGADMP COC(=O)CC1CC([NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000424271923 458599850 /nfs/dbraw/zinc/59/98/50/458599850.db2.gz STRRTGPUUXZCNK-DZIBYMRMSA-N 2 1 344.499 3.350 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000469989190 458604766 /nfs/dbraw/zinc/60/47/66/458604766.db2.gz DXWBCIDWNBNAKM-KGLIPLIRSA-N 2 1 325.294 3.484 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000469989190 458604768 /nfs/dbraw/zinc/60/47/68/458604768.db2.gz DXWBCIDWNBNAKM-KGLIPLIRSA-N 2 1 325.294 3.484 20 0 EGADMP CCC[C@@H](NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424289004 458605260 /nfs/dbraw/zinc/60/52/60/458605260.db2.gz LEXVTOIGTLSFEH-IEBWSBKVSA-N 2 1 343.515 3.108 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000494000258 458614430 /nfs/dbraw/zinc/61/44/30/458614430.db2.gz PNZPCBAKNSHHOT-KWXDATOUSA-N 2 1 343.515 3.027 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000494000258 458614437 /nfs/dbraw/zinc/61/44/37/458614437.db2.gz PNZPCBAKNSHHOT-KWXDATOUSA-N 2 1 343.515 3.027 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000494000258 458614442 /nfs/dbraw/zinc/61/44/42/458614442.db2.gz PNZPCBAKNSHHOT-KWXDATOUSA-N 2 1 343.515 3.027 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000431773145 458620813 /nfs/dbraw/zinc/62/08/13/458620813.db2.gz AHFDVSYRUYRBDJ-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000470215563 458624354 /nfs/dbraw/zinc/62/43/54/458624354.db2.gz LGZFLHDVRUQECT-SFHVURJKSA-N 2 1 340.895 3.152 20 0 EGADMP COc1cccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1OC(F)F ZINC000424373492 458627890 /nfs/dbraw/zinc/62/78/90/458627890.db2.gz HDIDJPKEZOCFDR-ZDUSSCGKSA-N 2 1 340.414 3.261 20 0 EGADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000456347445 458638643 /nfs/dbraw/zinc/63/86/43/458638643.db2.gz JVMWABPVAZSEIU-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000530028299 458662073 /nfs/dbraw/zinc/66/20/73/458662073.db2.gz NVJJIAODKNRZJZ-HXUWFJFHSA-N 2 1 341.499 3.029 20 0 EGADMP CC[C@@H]1C[NH+](CCCCC[N@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439476689 458711561 /nfs/dbraw/zinc/71/15/61/458711561.db2.gz ZRLDDZOQURWXTO-RTBURBONSA-N 2 1 326.525 3.159 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccccc2F)s1 ZINC000547280314 458713177 /nfs/dbraw/zinc/71/31/77/458713177.db2.gz WYLOYRLRTCGYSL-UGSOOPFHSA-N 2 1 334.460 3.271 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccccc2F)s1 ZINC000547280314 458713182 /nfs/dbraw/zinc/71/31/82/458713182.db2.gz WYLOYRLRTCGYSL-UGSOOPFHSA-N 2 1 334.460 3.271 20 0 EGADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3cccc(Cl)c3)s2)C1 ZINC000547273407 458714633 /nfs/dbraw/zinc/71/46/33/458714633.db2.gz WJOTYCZWBVVRGM-QGZVFWFLSA-N 2 1 336.888 3.225 20 0 EGADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3cccc(Cl)c3)s2)C1 ZINC000547273407 458714640 /nfs/dbraw/zinc/71/46/40/458714640.db2.gz WJOTYCZWBVVRGM-QGZVFWFLSA-N 2 1 336.888 3.225 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000494658223 458721195 /nfs/dbraw/zinc/72/11/95/458721195.db2.gz GBZXCMRPIOMAOX-KLAILNCOSA-N 2 1 339.524 3.144 20 0 EGADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc2cccnc12 ZINC000432368580 458725406 /nfs/dbraw/zinc/72/54/06/458725406.db2.gz MVEOQNXOIUMJQO-KRWDZBQOSA-N 2 1 327.472 3.134 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2cccc(Br)c2)C1 ZINC000464790499 458775433 /nfs/dbraw/zinc/77/54/33/458775433.db2.gz IWSOEMCVIHSSLU-CQSZACIVSA-N 2 1 341.293 3.102 20 0 EGADMP COC(=O)CC1(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000440784169 458853284 /nfs/dbraw/zinc/85/32/84/458853284.db2.gz MHQSCLZCANBMRN-IEBWSBKVSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)CC1(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000440784169 458853285 /nfs/dbraw/zinc/85/32/85/458853285.db2.gz MHQSCLZCANBMRN-IEBWSBKVSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)CC1(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000440784169 458853286 /nfs/dbraw/zinc/85/32/86/458853286.db2.gz MHQSCLZCANBMRN-IEBWSBKVSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)CC1(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000440784169 458853287 /nfs/dbraw/zinc/85/32/87/458853287.db2.gz MHQSCLZCANBMRN-IEBWSBKVSA-N 2 1 344.499 3.315 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000457104129 458868435 /nfs/dbraw/zinc/86/84/35/458868435.db2.gz BNLZPPCEQOUJKL-OAHLLOKOSA-N 2 1 343.471 3.049 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCc1cccc(N2CCC2=O)c1 ZINC000441198124 458898774 /nfs/dbraw/zinc/89/87/74/458898774.db2.gz AYJLSYBFXUULOA-DYESRHJHSA-N 2 1 349.478 3.033 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCc1cccc(N2CCC2=O)c1 ZINC000441198124 458898779 /nfs/dbraw/zinc/89/87/79/458898779.db2.gz AYJLSYBFXUULOA-DYESRHJHSA-N 2 1 349.478 3.033 20 0 EGADMP Cc1ccc(C)c(OCCC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000441256615 458906713 /nfs/dbraw/zinc/90/67/13/458906713.db2.gz AEWAWGNPFFOVIB-IRFCIJBXSA-N 2 1 346.515 3.256 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2c(C)ccc(C)c2C)C[C@H]1C ZINC000531382254 458909217 /nfs/dbraw/zinc/90/92/17/458909217.db2.gz KASXBOQQEXVHIL-YZGWKJHDSA-N 2 1 348.531 3.156 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2c(C)ccc(C)c2C)C[C@H]1C ZINC000531382254 458909225 /nfs/dbraw/zinc/90/92/25/458909225.db2.gz KASXBOQQEXVHIL-YZGWKJHDSA-N 2 1 348.531 3.156 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2c(C)ccc(C)c2C)C[C@H]1C ZINC000531382254 458909228 /nfs/dbraw/zinc/90/92/28/458909228.db2.gz KASXBOQQEXVHIL-YZGWKJHDSA-N 2 1 348.531 3.156 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2c(C)ccc(C)c2C)C[C@@H]1C ZINC000531382253 458910321 /nfs/dbraw/zinc/91/03/21/458910321.db2.gz KASXBOQQEXVHIL-YSIASYRMSA-N 2 1 348.531 3.156 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2c(C)ccc(C)c2C)C[C@@H]1C ZINC000531382253 458910325 /nfs/dbraw/zinc/91/03/25/458910325.db2.gz KASXBOQQEXVHIL-YSIASYRMSA-N 2 1 348.531 3.156 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2c(C)ccc(C)c2C)C[C@@H]1C ZINC000531382253 458910330 /nfs/dbraw/zinc/91/03/30/458910330.db2.gz KASXBOQQEXVHIL-YSIASYRMSA-N 2 1 348.531 3.156 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495657252 458911001 /nfs/dbraw/zinc/91/10/01/458911001.db2.gz LBRJNYZPICDYGY-HZPDHXFCSA-N 2 1 327.513 3.096 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495657252 458911005 /nfs/dbraw/zinc/91/10/05/458911005.db2.gz LBRJNYZPICDYGY-HZPDHXFCSA-N 2 1 327.513 3.096 20 0 EGADMP CC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000576864181 458936236 /nfs/dbraw/zinc/93/62/36/458936236.db2.gz PYDYTHMSFQMBJZ-WIYYLYMNSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000576864181 458936243 /nfs/dbraw/zinc/93/62/43/458936243.db2.gz PYDYTHMSFQMBJZ-WIYYLYMNSA-N 2 1 329.532 3.219 20 0 EGADMP Cc1ccc(OC[C@@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000519698451 458989425 /nfs/dbraw/zinc/98/94/25/458989425.db2.gz YWLKUOIIIMXRGX-PMACEKPBSA-N 2 1 348.531 3.287 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000468046366 458999034 /nfs/dbraw/zinc/99/90/34/458999034.db2.gz CLDJSKMKENTTOH-IAQYHMDHSA-N 2 1 336.277 3.360 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000468046366 458999040 /nfs/dbraw/zinc/99/90/40/458999040.db2.gz CLDJSKMKENTTOH-IAQYHMDHSA-N 2 1 336.277 3.360 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000531959486 459007775 /nfs/dbraw/zinc/00/77/75/459007775.db2.gz HBPQFGPFJRXTKK-HWOWSKLDSA-N 2 1 336.442 3.467 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000531959486 459007784 /nfs/dbraw/zinc/00/77/84/459007784.db2.gz HBPQFGPFJRXTKK-HWOWSKLDSA-N 2 1 336.442 3.467 20 0 EGADMP C[C@@H]1CC[N@H+](CCNC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000531984087 459011819 /nfs/dbraw/zinc/01/18/19/459011819.db2.gz NZXGRMLGMMCXDR-MRXNPFEDSA-N 2 1 335.923 3.236 20 0 EGADMP C[C@@H]1CC[N@@H+](CCNC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000531984087 459011822 /nfs/dbraw/zinc/01/18/22/459011822.db2.gz NZXGRMLGMMCXDR-MRXNPFEDSA-N 2 1 335.923 3.236 20 0 EGADMP C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1CCCc1c[nH+]cn1C ZINC000519831619 459013659 /nfs/dbraw/zinc/01/36/59/459013659.db2.gz CXLRMBNFACMWMB-RDTXWAMCSA-N 2 1 333.863 3.468 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000577373698 459023902 /nfs/dbraw/zinc/02/39/02/459023902.db2.gz YBRHFDSOMQULAF-SJORKVTESA-N 2 1 325.456 3.065 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000442756955 459031748 /nfs/dbraw/zinc/03/17/48/459031748.db2.gz LGKJYXKCHHLIQV-IAGOWNOFSA-N 2 1 335.536 3.150 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000442756955 459031749 /nfs/dbraw/zinc/03/17/49/459031749.db2.gz LGKJYXKCHHLIQV-IAGOWNOFSA-N 2 1 335.536 3.150 20 0 EGADMP Cc1cc(Cl)cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000532162910 459040292 /nfs/dbraw/zinc/04/02/92/459040292.db2.gz PAVBUAUVGZNDLA-UHFFFAOYSA-N 2 1 344.846 3.048 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC[C@@H]2CCc2ccccc2)CC1(C)C ZINC000442881465 459051941 /nfs/dbraw/zinc/05/19/41/459051941.db2.gz ZMZHUVLPNVOJPM-RTWAWAEBSA-N 2 1 343.559 3.404 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496069101 459055253 /nfs/dbraw/zinc/05/52/53/459055253.db2.gz QNPIHLBIRZJPER-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP Cn1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000442927967 459060923 /nfs/dbraw/zinc/06/09/23/459060923.db2.gz OVOUYMKFLATVLY-AWEZNQCLSA-N 2 1 332.879 3.301 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000442924639 459061764 /nfs/dbraw/zinc/06/17/64/459061764.db2.gz SMEDGUUNEOZQNX-QGZVFWFLSA-N 2 1 325.456 3.221 20 0 EGADMP CC(C)[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(C)(C)O ZINC000477868738 459063754 /nfs/dbraw/zinc/06/37/54/459063754.db2.gz VZHDVPNAUKKNLP-HAGHYFMRSA-N 2 1 330.516 3.282 20 0 EGADMP CSCc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000594501373 459065573 /nfs/dbraw/zinc/06/55/73/459065573.db2.gz USMGKFWACUHPGL-IBGZPJMESA-N 2 1 334.529 3.283 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496120494 459075348 /nfs/dbraw/zinc/07/53/48/459075348.db2.gz HLLHPSYHHCWELD-IAGOWNOFSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496120494 459075351 /nfs/dbraw/zinc/07/53/51/459075351.db2.gz HLLHPSYHHCWELD-IAGOWNOFSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496120494 459075354 /nfs/dbraw/zinc/07/53/54/459075354.db2.gz HLLHPSYHHCWELD-IAGOWNOFSA-N 2 1 339.524 3.098 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C(C)(C)C[NH+]2CCCC2)C1 ZINC000496121842 459075397 /nfs/dbraw/zinc/07/53/97/459075397.db2.gz QUIYFTJMNJCPSY-LJQANCHMSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)C(C)(C)C ZINC000478185050 459080793 /nfs/dbraw/zinc/08/07/93/459080793.db2.gz XFSRFSXNASIDDS-FUHWJXTLSA-N 2 1 349.494 3.277 20 0 EGADMP CCN(C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000443063104 459081148 /nfs/dbraw/zinc/08/11/48/459081148.db2.gz VVSKBFYGYJWBBR-QGZVFWFLSA-N 2 1 339.483 3.254 20 0 EGADMP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443072501 459084421 /nfs/dbraw/zinc/08/44/21/459084421.db2.gz NPLNODPQOXVPRB-NEPJUHHUSA-N 2 1 344.286 3.381 20 0 EGADMP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443072501 459084424 /nfs/dbraw/zinc/08/44/24/459084424.db2.gz NPLNODPQOXVPRB-NEPJUHHUSA-N 2 1 344.286 3.381 20 0 EGADMP Cc1cc(-c2noc([C@H](C)[N@H+]3CCC[C@@H](CC[NH3+])C3)n2)ccc1F ZINC000443076521 459085717 /nfs/dbraw/zinc/08/57/17/459085717.db2.gz SPLKLDCMGOVVMD-KBPBESRZSA-N 2 1 332.423 3.306 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000478395452 459087694 /nfs/dbraw/zinc/08/76/94/459087694.db2.gz BHDQDWKHMGPSKX-VQTJNVASSA-N 2 1 345.531 3.103 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000496158215 459091250 /nfs/dbraw/zinc/09/12/50/459091250.db2.gz DTJPAKOVYFLAHB-IAGOWNOFSA-N 2 1 337.508 3.039 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000532525451 459106350 /nfs/dbraw/zinc/10/63/50/459106350.db2.gz XTMIADFUCIYPGX-SOUVJXGZSA-N 2 1 337.895 3.438 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000532525451 459106355 /nfs/dbraw/zinc/10/63/55/459106355.db2.gz XTMIADFUCIYPGX-SOUVJXGZSA-N 2 1 337.895 3.438 20 0 EGADMP CCC[NH2+][C@@H](C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000521037317 459114137 /nfs/dbraw/zinc/11/41/37/459114137.db2.gz DJNNKDSNLQAQQN-SJORKVTESA-N 2 1 331.504 3.065 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2ncccc2C(F)(F)F)c2ccccc21 ZINC000567647772 459139213 /nfs/dbraw/zinc/13/92/13/459139213.db2.gz YZAZCOZAUZNZTK-HUUCEWRRSA-N 2 1 337.345 3.214 20 0 EGADMP COc1ncc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000532778063 459142641 /nfs/dbraw/zinc/14/26/41/459142641.db2.gz JPNNQXFSSAHQFY-YOEHRIQHSA-N 2 1 335.879 3.192 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000567688018 459146070 /nfs/dbraw/zinc/14/60/70/459146070.db2.gz HHEDEMQVCGZESJ-KRWDZBQOSA-N 2 1 349.494 3.420 20 0 EGADMP Cc1ccc(C)c(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000521805400 459178651 /nfs/dbraw/zinc/17/86/51/459178651.db2.gz FNVJSQFUDDVXGY-LJQANCHMSA-N 2 1 343.540 3.443 20 0 EGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000567870699 459182362 /nfs/dbraw/zinc/18/23/62/459182362.db2.gz JMMRAYFRSUMRCO-MNOVXSKESA-N 2 1 337.265 3.055 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000480737537 459216495 /nfs/dbraw/zinc/21/64/95/459216495.db2.gz OXDSZSIGPRZMBR-GUDVDZBRSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000590787304 459219183 /nfs/dbraw/zinc/21/91/83/459219183.db2.gz ZENCBLPUFWPNNL-QGZVFWFLSA-N 2 1 331.504 3.374 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)CC2CCCCC2)CC1 ZINC000590786137 459219796 /nfs/dbraw/zinc/21/97/96/459219796.db2.gz BPCAJQBBMDTCKP-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000590819024 459232260 /nfs/dbraw/zinc/23/22/60/459232260.db2.gz TYEYQJSEEWNDOV-OKZBNKHCSA-N 2 1 337.552 3.217 20 0 EGADMP c1cc(-c2n[nH]cc2C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cs1 ZINC000559560693 459264916 /nfs/dbraw/zinc/26/49/16/459264916.db2.gz XKILBTKAEAGKEX-MRXNPFEDSA-N 2 1 326.425 3.187 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2ccccc21 ZINC000482135937 459291791 /nfs/dbraw/zinc/29/17/91/459291791.db2.gz PCHNJGLVHOXYDV-MOPGFXCFSA-N 2 1 343.515 3.066 20 0 EGADMP COC1(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCCC1 ZINC000483300722 459357188 /nfs/dbraw/zinc/35/71/88/459357188.db2.gz YPDKDSREJJRTMB-HDICACEKSA-N 2 1 338.536 3.157 20 0 EGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000483303361 459357543 /nfs/dbraw/zinc/35/75/43/459357543.db2.gz MJYNMXOMDURSBB-RTWAWAEBSA-N 2 1 330.516 3.429 20 0 EGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000483303361 459357552 /nfs/dbraw/zinc/35/75/52/459357552.db2.gz MJYNMXOMDURSBB-RTWAWAEBSA-N 2 1 330.516 3.429 20 0 EGADMP CC[C@H](CCO)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000560524981 459365816 /nfs/dbraw/zinc/36/58/16/459365816.db2.gz TWFJIGULOMCVJY-MXEMCNAFSA-N 2 1 330.516 3.428 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](C)CCC[C@@H]3C)CC2)CC1 ZINC000582496572 459374924 /nfs/dbraw/zinc/37/49/24/459374924.db2.gz LJYNWECTNNDUDS-MSOLQXFVSA-N 2 1 349.563 3.220 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(C)cc2)[C@@H](C)C1 ZINC000483619289 459377369 /nfs/dbraw/zinc/37/73/69/459377369.db2.gz GZWZCBQAJFRWQM-ZJOUEHCJSA-N 2 1 348.531 3.489 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1I ZINC000591578322 459406011 /nfs/dbraw/zinc/40/60/11/459406011.db2.gz QTPSYJFJARZQNY-NWDGAFQWSA-N 2 1 344.240 3.084 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1I ZINC000591578324 459406299 /nfs/dbraw/zinc/40/62/99/459406299.db2.gz QTPSYJFJARZQNY-VXGBXAGGSA-N 2 1 344.240 3.084 20 0 EGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccc(N2CCOC2=O)c1 ZINC000497113431 459445113 /nfs/dbraw/zinc/44/51/13/459445113.db2.gz OLAYFLNBELVRED-KDOFPFPSSA-N 2 1 331.460 3.201 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000583019425 459467352 /nfs/dbraw/zinc/46/73/52/459467352.db2.gz BPHDDNNWCSMABY-HXUWFJFHSA-N 2 1 342.483 3.056 20 0 EGADMP CCCCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000486210157 459492478 /nfs/dbraw/zinc/49/24/78/459492478.db2.gz BANRTNNPPZXBHU-RDJZCZTQSA-N 2 1 337.552 3.122 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3conc3Cc3ccccc3)C2)CC1 ZINC000569704460 459497644 /nfs/dbraw/zinc/49/76/44/459497644.db2.gz MAHWMCPRNLBPRQ-IBGZPJMESA-N 2 1 339.483 3.429 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)C1 ZINC000497247269 459501335 /nfs/dbraw/zinc/50/13/35/459501335.db2.gz ZQDQACPWKDIQTE-IRXDYDNUSA-N 2 1 341.540 3.390 20 0 EGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCCc4ccncc4)C[C@@H]3C2)cc1 ZINC000583230838 459505755 /nfs/dbraw/zinc/50/57/55/459505755.db2.gz CPOGUXHKRSYHBI-FCHUYYIVSA-N 2 1 335.495 3.468 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCCc4ccncc4)C[C@@H]3C2)cc1 ZINC000583230838 459505759 /nfs/dbraw/zinc/50/57/59/459505759.db2.gz CPOGUXHKRSYHBI-FCHUYYIVSA-N 2 1 335.495 3.468 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCCc4ccncc4)C[C@@H]3C2)cc1 ZINC000583230838 459505762 /nfs/dbraw/zinc/50/57/62/459505762.db2.gz CPOGUXHKRSYHBI-FCHUYYIVSA-N 2 1 335.495 3.468 20 0 EGADMP COc1ccc2cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)ccc2c1 ZINC000583349173 459524497 /nfs/dbraw/zinc/52/44/97/459524497.db2.gz XGFJPXFFDGTOMZ-UHFFFAOYSA-N 2 1 343.515 3.164 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000498011438 459565270 /nfs/dbraw/zinc/56/52/70/459565270.db2.gz OTUCQYSCSRTLTN-QRVBRYPASA-N 2 1 337.552 3.266 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1F ZINC000542530095 459567594 /nfs/dbraw/zinc/56/75/94/459567594.db2.gz DKGHXOYOAZWXMY-JKSUJKDBSA-N 2 1 347.478 3.315 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1F ZINC000542530095 459567597 /nfs/dbraw/zinc/56/75/97/459567597.db2.gz DKGHXOYOAZWXMY-JKSUJKDBSA-N 2 1 347.478 3.315 20 0 EGADMP CC[N@@H+](C)C[C@H](O)CN1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000562478853 459570351 /nfs/dbraw/zinc/57/03/51/459570351.db2.gz PQGNOZNRQUTTQC-HNNXBMFYSA-N 2 1 342.936 3.209 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC/C=C/c3ccccc3)C2)CC1 ZINC000583733993 459587525 /nfs/dbraw/zinc/58/75/25/459587525.db2.gz CVCDPJVNCUQMLM-ISPXXFMDSA-N 2 1 327.516 3.190 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)NC1CC[NH2+]CC1)C1CCCCC1 ZINC000562746849 459639276 /nfs/dbraw/zinc/63/92/76/459639276.db2.gz XAMWGOFDTACWEJ-UHFFFAOYSA-N 2 1 344.503 3.325 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000584110744 459657357 /nfs/dbraw/zinc/65/73/57/459657357.db2.gz QSYBZGNBCZVABW-HKUYNNGSSA-N 2 1 331.504 3.237 20 0 EGADMP Fc1c(Br)ccc(CNC[C@H]2CC[N@H+](C3CC3)C2)c1F ZINC000527637850 459680170 /nfs/dbraw/zinc/68/01/70/459680170.db2.gz PJCYOXPBEVMYKC-SNVBAGLBSA-N 2 1 345.231 3.301 20 0 EGADMP Fc1c(Br)ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1F ZINC000527638568 459680368 /nfs/dbraw/zinc/68/03/68/459680368.db2.gz VMMHWKPJKPLOKW-VXGBXAGGSA-N 2 1 345.231 3.444 20 0 EGADMP CCCN(C(=O)CCCC[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000563202095 459737386 /nfs/dbraw/zinc/73/73/86/459737386.db2.gz SXJWHCRLGMTKEU-LJQANCHMSA-N 2 1 331.504 3.019 20 0 EGADMP CC(C)[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000584463853 459745182 /nfs/dbraw/zinc/74/51/82/459745182.db2.gz KRVSYQMNFYEORY-DSKINZAPSA-N 2 1 329.532 3.047 20 0 EGADMP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000584463853 459745190 /nfs/dbraw/zinc/74/51/90/459745190.db2.gz KRVSYQMNFYEORY-DSKINZAPSA-N 2 1 329.532 3.047 20 0 EGADMP CC[NH2+]CCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000574307645 459805312 /nfs/dbraw/zinc/80/53/12/459805312.db2.gz VZSFBEBTAWRHIY-AWEZNQCLSA-N 2 1 327.266 3.252 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCCC[NH+](C)C)C1 ZINC000584830618 459809996 /nfs/dbraw/zinc/80/99/96/459809996.db2.gz LSBZHFGLUVCYNN-SFHVURJKSA-N 2 1 345.531 3.267 20 0 EGADMP CCc1cccc2cc(C[N@@H+]3CC[C@@H](N4CC[NH+](CC)CC4)C3)oc21 ZINC000597004321 459816785 /nfs/dbraw/zinc/81/67/85/459816785.db2.gz ZYEZXHAMCMRXCZ-LJQANCHMSA-N 2 1 341.499 3.207 20 0 EGADMP CCC[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000566171621 459817893 /nfs/dbraw/zinc/81/78/93/459817893.db2.gz OTIJOAVGFRIVKP-QGZVFWFLSA-N 2 1 345.531 3.455 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000574425142 459818210 /nfs/dbraw/zinc/81/82/10/459818210.db2.gz VKZTXKWDJNUZFS-IBGZPJMESA-N 2 1 344.503 3.325 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccco1 ZINC000545309882 459823099 /nfs/dbraw/zinc/82/30/99/459823099.db2.gz MXMYRSIUIHGNQY-SFHVURJKSA-N 2 1 349.519 3.433 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000566213110 459823888 /nfs/dbraw/zinc/82/38/88/459823888.db2.gz YGVVHLMZZWMBQZ-PKOBYXMFSA-N 2 1 331.504 3.166 20 0 EGADMP Cc1cc(-c2noc([C@H](C)[NH2+]CCCc3c[nH+]cn3C)n2)ccc1F ZINC000574887112 459888266 /nfs/dbraw/zinc/88/82/66/459888266.db2.gz MQADNXWJOYIAIS-ZDUSSCGKSA-N 2 1 343.406 3.201 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000575052606 459916839 /nfs/dbraw/zinc/91/68/39/459916839.db2.gz CPGFOBREMNPNTR-YOEHRIQHSA-N 2 1 344.421 3.464 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(F)c4ccccc34)C2)CC1 ZINC000602463454 459950275 /nfs/dbraw/zinc/95/02/75/459950275.db2.gz GGZBHSYIHLCORE-GOSISDBHSA-N 2 1 341.474 3.191 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(COC)CCCCC2)[C@@H](C)C1 ZINC000575624330 459989747 /nfs/dbraw/zinc/98/97/47/459989747.db2.gz AJXNAURQEXJLBT-RBUKOAKNSA-N 2 1 340.552 3.310 20 0 EGADMP CCCc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000621718740 460023985 /nfs/dbraw/zinc/02/39/85/460023985.db2.gz RMFIAYVKTDQBJA-VQIMIIECSA-N 2 1 335.561 3.158 20 0 EGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602642676 460038457 /nfs/dbraw/zinc/03/84/57/460038457.db2.gz FXVYDFUFYLCAQL-DMUMMCEESA-N 2 1 342.483 3.286 20 0 EGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602642676 460038464 /nfs/dbraw/zinc/03/84/64/460038464.db2.gz FXVYDFUFYLCAQL-DMUMMCEESA-N 2 1 342.483 3.286 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C/C=C\c3ccc(F)c(F)c3)C2)CC1 ZINC000589167020 460044380 /nfs/dbraw/zinc/04/43/80/460044380.db2.gz FVXYVLXHJILYLR-DDKKJVIOSA-N 2 1 349.469 3.078 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)c2ccccc21 ZINC000621760578 460054143 /nfs/dbraw/zinc/05/41/43/460054143.db2.gz NWIRVRIVYJMELZ-GOSISDBHSA-N 2 1 329.488 3.196 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[NH+](C)C[C@H]2CC)cc1 ZINC000614335605 460103675 /nfs/dbraw/zinc/10/36/75/460103675.db2.gz QQNSTFTUHWJKIR-HXUWFJFHSA-N 2 1 345.531 3.475 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](C)C[C@H]2CC)cc1 ZINC000614335605 460103679 /nfs/dbraw/zinc/10/36/79/460103679.db2.gz QQNSTFTUHWJKIR-HXUWFJFHSA-N 2 1 345.531 3.475 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](C)C[C@H]2CC)cc1 ZINC000614335605 460103680 /nfs/dbraw/zinc/10/36/80/460103680.db2.gz QQNSTFTUHWJKIR-HXUWFJFHSA-N 2 1 345.531 3.475 20 0 EGADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH+](C3CCCC3)C2)C[C@@H]1c1ccccc1 ZINC000576364416 460126874 /nfs/dbraw/zinc/12/68/74/460126874.db2.gz GPGZNCAQBZFGFM-IRFCIJBXSA-N 2 1 327.516 3.428 20 0 EGADMP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C3CCCC3)C2)C[C@@H]1c1ccccc1 ZINC000576364416 460126881 /nfs/dbraw/zinc/12/68/81/460126881.db2.gz GPGZNCAQBZFGFM-IRFCIJBXSA-N 2 1 327.516 3.428 20 0 EGADMP C[NH+]1CC[C@H](N[C@H]2CC[N@H+](C3CCCC3)C2)C[C@@H]1c1ccccc1 ZINC000576364416 460126884 /nfs/dbraw/zinc/12/68/84/460126884.db2.gz GPGZNCAQBZFGFM-IRFCIJBXSA-N 2 1 327.516 3.428 20 0 EGADMP CC[NH+](CC)CCCN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000576505074 460155763 /nfs/dbraw/zinc/15/57/63/460155763.db2.gz GEYYPVRUALUIKV-NHCUHLMSSA-N 2 1 329.532 3.172 20 0 EGADMP O[C@H](Cc1cccc(Cl)c1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000576607772 460179166 /nfs/dbraw/zinc/17/91/66/460179166.db2.gz GOKKHYHGDDFTBI-PKOBYXMFSA-N 2 1 336.907 3.051 20 0 EGADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000599314399 460227171 /nfs/dbraw/zinc/22/71/71/460227171.db2.gz JVFOABUDBLCBIZ-LJQANCHMSA-N 2 1 329.488 3.341 20 0 EGADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000599314399 460227174 /nfs/dbraw/zinc/22/71/74/460227174.db2.gz JVFOABUDBLCBIZ-LJQANCHMSA-N 2 1 329.488 3.341 20 0 EGADMP FC(F)(F)c1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000603517262 460315307 /nfs/dbraw/zinc/31/53/07/460315307.db2.gz LNXBZLRHJWQIPQ-MRXNPFEDSA-N 2 1 342.405 3.438 20 0 EGADMP CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062494 460358790 /nfs/dbraw/zinc/35/87/90/460358790.db2.gz UPFJLGQEDDJKLJ-IAGOWNOFSA-N 2 1 333.520 3.263 20 0 EGADMP CCOC(=O)[C@H](CC(C)C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000611727203 460441645 /nfs/dbraw/zinc/44/16/45/460441645.db2.gz XMFDQCDUJODWCA-FQEVSTJZSA-N 2 1 346.515 3.466 20 0 EGADMP COc1cccc2c1OCCC[C@@H]2[NH2+]CCCCn1cc[nH+]c1C ZINC000631581049 460455924 /nfs/dbraw/zinc/45/59/24/460455924.db2.gz CYRWCTLIAMRZOK-KRWDZBQOSA-N 2 1 329.444 3.484 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000631623976 460476638 /nfs/dbraw/zinc/47/66/38/460476638.db2.gz KDENHHGLPDEEFY-ANULTFPQSA-N 2 1 340.511 3.446 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc3ncccc23)[C@H](C)C1 ZINC000634687500 460477673 /nfs/dbraw/zinc/47/76/73/460477673.db2.gz NGXMKUVTUJYRSN-XLIONFOSSA-N 2 1 341.499 3.461 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000623404003 460530764 /nfs/dbraw/zinc/53/07/64/460530764.db2.gz NSYMTPZKUMKKCO-AWEZNQCLSA-N 2 1 325.447 3.241 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000623404003 460530770 /nfs/dbraw/zinc/53/07/70/460530770.db2.gz NSYMTPZKUMKKCO-AWEZNQCLSA-N 2 1 325.447 3.241 20 0 EGADMP O[C@@H](C[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21)C[NH+]1CCCC1 ZINC000623871380 460754065 /nfs/dbraw/zinc/75/40/65/460754065.db2.gz CJXSQZTXGCRGFG-KBXCAEBGSA-N 2 1 347.890 3.245 20 0 EGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000629545033 460802535 /nfs/dbraw/zinc/80/25/35/460802535.db2.gz ALSBYQMCZOWRGU-DFQSSKMNSA-N 2 1 331.504 3.374 20 0 EGADMP C[C@H](Nc1nc(N2Cc3ccccc3C2)cc[nH+]1)C1CC[NH+](C)CC1 ZINC000623969796 460803040 /nfs/dbraw/zinc/80/30/40/460803040.db2.gz UHEBIQPJQBOSSD-HNNXBMFYSA-N 2 1 337.471 3.139 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCCOCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629561852 460808627 /nfs/dbraw/zinc/80/86/27/460808627.db2.gz JVHZTHPZRZENBI-JKSUJKDBSA-N 2 1 330.394 3.052 20 0 EGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629563859 460811235 /nfs/dbraw/zinc/81/12/35/460811235.db2.gz RTGHYTXOLUJTQP-GOEBONIOSA-N 2 1 330.394 3.433 20 0 EGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629563859 460811237 /nfs/dbraw/zinc/81/12/37/460811237.db2.gz RTGHYTXOLUJTQP-GOEBONIOSA-N 2 1 330.394 3.433 20 0 EGADMP Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NC[C@H](O)C[NH+]1CCCC1 ZINC000629581506 460814138 /nfs/dbraw/zinc/81/41/38/460814138.db2.gz CMYIHHOJXHJKNM-MJGOQNOKSA-N 2 1 331.504 3.242 20 0 EGADMP Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NC[C@H](O)C[NH+]1CCCC1 ZINC000629581506 460814139 /nfs/dbraw/zinc/81/41/39/460814139.db2.gz CMYIHHOJXHJKNM-MJGOQNOKSA-N 2 1 331.504 3.242 20 0 EGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cccc(OCc3ccccn3)c1)C2 ZINC000629593164 460819104 /nfs/dbraw/zinc/81/91/04/460819104.db2.gz GVAGVJBNKMCJRQ-OYRHEFFESA-N 2 1 337.467 3.092 20 0 EGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cccc(OCc3ccccn3)c1)C2 ZINC000629593164 460819108 /nfs/dbraw/zinc/81/91/08/460819108.db2.gz GVAGVJBNKMCJRQ-OYRHEFFESA-N 2 1 337.467 3.092 20 0 EGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000607281700 460819965 /nfs/dbraw/zinc/81/99/65/460819965.db2.gz YDEMDRRREZOROD-IXDOHACOSA-N 2 1 331.504 3.105 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635573528 460837995 /nfs/dbraw/zinc/83/79/95/460837995.db2.gz GQKKHFSBPDOORB-KRWDZBQOSA-N 2 1 345.531 3.306 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)CC[C@H]1C(F)(F)F ZINC000629656182 460850685 /nfs/dbraw/zinc/85/06/85/460850685.db2.gz MWTIXUCGJXGNGR-GZBFAFLISA-N 2 1 328.378 3.012 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCOc3ccccc32)CC[C@H]1C(F)(F)F ZINC000629656184 460850919 /nfs/dbraw/zinc/85/09/19/460850919.db2.gz MWTIXUCGJXGNGR-UMVBOHGHSA-N 2 1 328.378 3.012 20 0 EGADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc(OC)c1OC ZINC000624119698 460868596 /nfs/dbraw/zinc/86/85/96/460868596.db2.gz HJAGUZXOBJVVOO-GJZGRUSLSA-N 2 1 336.476 3.095 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000624121460 460870633 /nfs/dbraw/zinc/87/06/33/460870633.db2.gz XBBROBIUNIFHKV-JKSUJKDBSA-N 2 1 344.503 3.353 20 0 EGADMP c1cc(-c2ccc(C[NH+]3CCOCC3)cc2)ccc1C[C@H]1CC[NH2+]C1 ZINC000629732860 460895437 /nfs/dbraw/zinc/89/54/37/460895437.db2.gz GRHRILDAMRNIBP-HXUWFJFHSA-N 2 1 336.479 3.338 20 0 EGADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624290025 460945493 /nfs/dbraw/zinc/94/54/93/460945493.db2.gz UOQLMTMXUCKSBD-SSKCKEOISA-N 2 1 343.298 3.489 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624290025 460945499 /nfs/dbraw/zinc/94/54/99/460945499.db2.gz UOQLMTMXUCKSBD-SSKCKEOISA-N 2 1 343.298 3.489 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000613491303 460970124 /nfs/dbraw/zinc/97/01/24/460970124.db2.gz NLRDXTGNBWAEQE-GOSISDBHSA-N 2 1 332.488 3.270 20 0 EGADMP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)C1CCC1 ZINC000629952195 460973122 /nfs/dbraw/zinc/97/31/22/460973122.db2.gz AODQXSMWGRHCDD-UHFFFAOYSA-N 2 1 329.488 3.485 20 0 EGADMP CC1CC[NH+](CCc2cccc(NC(=O)C[N@@H+](C)C3CCC3)c2)CC1 ZINC000629976648 460983407 /nfs/dbraw/zinc/98/34/07/460983407.db2.gz QZSFCDAKVKRTIC-UHFFFAOYSA-N 2 1 343.515 3.384 20 0 EGADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@H]1CC[N@H+]1C1CCCC1)CC2 ZINC000635990169 460999665 /nfs/dbraw/zinc/99/96/65/460999665.db2.gz MXTKIPNCVRWVQJ-IBGZPJMESA-N 2 1 347.547 3.116 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(C)c(Br)cn2)C[C@H]1C ZINC000628183223 461035920 /nfs/dbraw/zinc/03/59/20/461035920.db2.gz UPRISHQOYQVXLQ-HIFRSBDPSA-N 2 1 340.309 3.457 20 0 EGADMP Cc1cn2ccc(NC(=O)NC[C@H](C)[N@H+]3CCCC[C@H]3C)cc2n1 ZINC000668152042 461138148 /nfs/dbraw/zinc/13/81/48/461138148.db2.gz XMXYWSVWOHEJCU-CABCVRRESA-N 2 1 329.448 3.027 20 0 EGADMP Cc1cc(C)cc(OCCC[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652347226 461142310 /nfs/dbraw/zinc/14/23/10/461142310.db2.gz WPXOVOAZSWRVJJ-QKNQBKEWSA-N 2 1 346.515 3.291 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652354136 461149552 /nfs/dbraw/zinc/14/95/52/461149552.db2.gz NUMFCGCBPCLNGP-GOEBONIOSA-N 2 1 335.517 3.186 20 0 EGADMP CCc1nocc1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000662270817 461158098 /nfs/dbraw/zinc/15/80/98/461158098.db2.gz OPNXJAUBRCUWLB-YLJYHZDGSA-N 2 1 327.472 3.409 20 0 EGADMP COc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363463 461158422 /nfs/dbraw/zinc/15/84/22/461158422.db2.gz FMCRCAZMRHPOEI-JZXOWHBKSA-N 2 1 338.879 3.209 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000662273024 461161325 /nfs/dbraw/zinc/16/13/25/461161325.db2.gz JMYNAAOGVFAMLP-IAGOWNOFSA-N 2 1 341.455 3.172 20 0 EGADMP CSc1cccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662290401 461168289 /nfs/dbraw/zinc/16/82/89/461168289.db2.gz SZFZUFNVEMMOAP-INIZCTEOSA-N 2 1 347.528 3.059 20 0 EGADMP Cc1cncc(CC[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)n1 ZINC000649549161 461168708 /nfs/dbraw/zinc/16/87/08/461168708.db2.gz WCVPALCYWFDHJL-WIYYLYMNSA-N 2 1 338.499 3.312 20 0 EGADMP Cc1cncc(CCN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000649549161 461168712 /nfs/dbraw/zinc/16/87/12/461168712.db2.gz WCVPALCYWFDHJL-WIYYLYMNSA-N 2 1 338.499 3.312 20 0 EGADMP Cc1cncc(CCN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000649549161 461168716 /nfs/dbraw/zinc/16/87/16/461168716.db2.gz WCVPALCYWFDHJL-WIYYLYMNSA-N 2 1 338.499 3.312 20 0 EGADMP Fc1ccc(-c2noc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662295118 461171887 /nfs/dbraw/zinc/17/18/87/461171887.db2.gz FJMWVKLHKFKWRZ-INIZCTEOSA-N 2 1 344.434 3.087 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)c1 ZINC000662295199 461172883 /nfs/dbraw/zinc/17/28/83/461172883.db2.gz FWWJWQKWQGWKAA-HKUYNNGSSA-N 2 1 343.515 3.342 20 0 EGADMP c1csc(-c2noc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662298025 461174534 /nfs/dbraw/zinc/17/45/34/461174534.db2.gz UAGPPVNGUPSCDU-AWEZNQCLSA-N 2 1 332.473 3.010 20 0 EGADMP CSc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662313261 461186256 /nfs/dbraw/zinc/18/62/56/461186256.db2.gz ILWSCYYHFQTEAD-RHSMWYFYSA-N 2 1 335.517 3.186 20 0 EGADMP C[C@H](c1cccnc1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327536 461194774 /nfs/dbraw/zinc/19/47/74/461194774.db2.gz RAXRVNSRHSEAHW-OAHLLOKOSA-N 2 1 339.487 3.212 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)CC1 ZINC000636683352 461250188 /nfs/dbraw/zinc/25/01/88/461250188.db2.gz GIBFFMRHVLFMMM-LJQANCHMSA-N 2 1 341.499 3.118 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](CC2CCSCC2)CC1 ZINC000638129906 461261802 /nfs/dbraw/zinc/26/18/02/461261802.db2.gz CSHCDBRXBIQMCP-UHFFFAOYSA-N 2 1 328.566 3.200 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c(Cl)cc1O ZINC000638173339 461286536 /nfs/dbraw/zinc/28/65/36/461286536.db2.gz WGIZKNQLSIWGCV-SWLSCSKDSA-N 2 1 335.835 3.334 20 0 EGADMP COc1cc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)c(Cl)cc1O ZINC000638173339 461286542 /nfs/dbraw/zinc/28/65/42/461286542.db2.gz WGIZKNQLSIWGCV-SWLSCSKDSA-N 2 1 335.835 3.334 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@@H]3[C@H](CCC[NH+]3C)C1)CC2 ZINC000638178587 461290488 /nfs/dbraw/zinc/29/04/88/461290488.db2.gz ORFAABHEPLWGJV-KBAYOESNSA-N 2 1 330.472 3.107 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@@H]3[C@H](CCC[N@@H+]3C)C1)CC2 ZINC000638178587 461290491 /nfs/dbraw/zinc/29/04/91/461290491.db2.gz ORFAABHEPLWGJV-KBAYOESNSA-N 2 1 330.472 3.107 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@@H]3[C@H](CCC[N@H+]3C)C1)CC2 ZINC000638178587 461290504 /nfs/dbraw/zinc/29/05/04/461290504.db2.gz ORFAABHEPLWGJV-KBAYOESNSA-N 2 1 330.472 3.107 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000662593755 461310587 /nfs/dbraw/zinc/31/05/87/461310587.db2.gz QFSMUOICTDLZOK-QZTJIDSGSA-N 2 1 337.552 3.301 20 0 EGADMP CC[NH+](CC)CCCNC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662659114 461339406 /nfs/dbraw/zinc/33/94/06/461339406.db2.gz OZQUWIFKIXHBIU-HNNXBMFYSA-N 2 1 346.302 3.102 20 0 EGADMP NC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638296653 461352044 /nfs/dbraw/zinc/35/20/44/461352044.db2.gz AYSRXCGMOPBWCA-FPOVZHCZSA-N 2 1 349.478 3.243 20 0 EGADMP NC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638296653 461352051 /nfs/dbraw/zinc/35/20/51/461352051.db2.gz AYSRXCGMOPBWCA-FPOVZHCZSA-N 2 1 349.478 3.243 20 0 EGADMP c1ccc2cc(OCC[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)ccc2c1 ZINC000655685493 461361262 /nfs/dbraw/zinc/36/12/62/461361262.db2.gz FMZQUKFAXCEARZ-HXUWFJFHSA-N 2 1 340.467 3.062 20 0 EGADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000641803687 461379596 /nfs/dbraw/zinc/37/95/96/461379596.db2.gz DLZFUVMAUCHYGY-NWDGAFQWSA-N 2 1 349.784 3.013 20 0 EGADMP CCn1ncnc1C[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000638351192 461380773 /nfs/dbraw/zinc/38/07/73/461380773.db2.gz GOTRBEIKUVXCBL-UHFFFAOYSA-N 2 1 349.482 3.316 20 0 EGADMP Fc1ccc2c(CC[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)c[nH]c2c1 ZINC000655714157 461385139 /nfs/dbraw/zinc/38/51/39/461385139.db2.gz YONCSUYUPJNJRA-SFHVURJKSA-N 2 1 345.462 3.083 20 0 EGADMP FC(F)(F)C1CCC(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655718364 461386500 /nfs/dbraw/zinc/38/65/00/461386500.db2.gz MLZBURSQXWYZPH-XUJLQICISA-N 2 1 334.426 3.198 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000655720955 461389335 /nfs/dbraw/zinc/38/93/35/461389335.db2.gz KDEBSGDEZKRBBN-INIZCTEOSA-N 2 1 330.451 3.140 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000655720955 461389342 /nfs/dbraw/zinc/38/93/42/461389342.db2.gz KDEBSGDEZKRBBN-INIZCTEOSA-N 2 1 330.451 3.140 20 0 EGADMP CC[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Oc1ccccc1C ZINC000655730802 461399449 /nfs/dbraw/zinc/39/94/49/461399449.db2.gz NEVZTLYHQCDFST-VQTJNVASSA-N 2 1 346.515 3.385 20 0 EGADMP CC(C)[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC000655757107 461423184 /nfs/dbraw/zinc/42/31/84/461423184.db2.gz BOPZIRQOJQRABH-PZJWPPBQSA-N 2 1 330.516 3.344 20 0 EGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCC2 ZINC000655764397 461431673 /nfs/dbraw/zinc/43/16/73/461431673.db2.gz GLEOGZHYNMEBTQ-QUCCMNQESA-N 2 1 332.463 3.436 20 0 EGADMP FC1(F)CCCC[C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655769358 461435128 /nfs/dbraw/zinc/43/51/28/461435128.db2.gz GWYZYZMDQUWOGJ-WBVHZDCISA-N 2 1 330.463 3.435 20 0 EGADMP Cc1ccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)c(C)c1 ZINC000655771913 461437189 /nfs/dbraw/zinc/43/71/89/461437189.db2.gz QROOUZFZUCKLCS-LJQANCHMSA-N 2 1 328.500 3.178 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)CN(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858620 461461586 /nfs/dbraw/zinc/46/15/86/461461586.db2.gz XMCHNUSNUMGSRI-BBRMVZONSA-N 2 1 332.410 3.399 20 0 EGADMP CC[C@H](CC(F)F)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000659866517 461469551 /nfs/dbraw/zinc/46/95/51/461469551.db2.gz SYRQCBBHAAZWIL-IXDOHACOSA-N 2 1 331.495 3.158 20 0 EGADMP COc1cc(F)cc(OC)c1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000631037103 461489506 /nfs/dbraw/zinc/48/95/06/461489506.db2.gz GKJBSAFCOATEAI-UHFFFAOYSA-N 2 1 332.419 3.194 20 0 EGADMP CC(C)(C)C(=O)NCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638574083 461490862 /nfs/dbraw/zinc/49/08/62/461490862.db2.gz OXZLELOPSBCVPL-MJGOQNOKSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)(C)C(=O)NCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638574083 461490868 /nfs/dbraw/zinc/49/08/68/461490868.db2.gz OXZLELOPSBCVPL-MJGOQNOKSA-N 2 1 343.515 3.106 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CS[C@H](C)C3)CC2)cs1 ZINC000638622937 461507429 /nfs/dbraw/zinc/50/74/29/461507429.db2.gz DUCCOWLAYGTDFI-UKRRQHHQSA-N 2 1 339.574 3.401 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(C)(C)n2cncn2)cc1 ZINC000638768986 461570970 /nfs/dbraw/zinc/57/09/70/461570970.db2.gz IYFFBAABRBPUHL-CABCVRRESA-N 2 1 338.459 3.247 20 0 EGADMP c1ccc(C[NH+]2CCC(NC[C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000663346710 461577464 /nfs/dbraw/zinc/57/74/64/461577464.db2.gz DCIUCALOSABDKI-NRFANRHFSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(CN2CCC([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000663346710 461577475 /nfs/dbraw/zinc/57/74/75/461577475.db2.gz DCIUCALOSABDKI-NRFANRHFSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(CN2CCC([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000663346710 461577486 /nfs/dbraw/zinc/57/74/86/461577486.db2.gz DCIUCALOSABDKI-NRFANRHFSA-N 2 1 341.543 3.363 20 0 EGADMP COc1cc2c(cc1C[NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)O[C@@H](C)C2 ZINC000663346646 461577985 /nfs/dbraw/zinc/57/79/85/461577985.db2.gz BTEUQLRNWMYIDP-DOTOQJQBSA-N 2 1 344.499 3.230 20 0 EGADMP COc1cc2c(cc1C[NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)O[C@@H](C)C2 ZINC000663346646 461577992 /nfs/dbraw/zinc/57/79/92/461577992.db2.gz BTEUQLRNWMYIDP-DOTOQJQBSA-N 2 1 344.499 3.230 20 0 EGADMP Cc1cc(C)c(/C=C\C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(C)c1 ZINC000631177631 461616215 /nfs/dbraw/zinc/61/62/15/461616215.db2.gz MHAKADRAEBDYHF-FBQMEGEOSA-N 2 1 328.500 3.468 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(C)nc(C)n2)CC1)CC1CC1 ZINC000660168447 461618933 /nfs/dbraw/zinc/61/89/33/461618933.db2.gz RCXGERPLZMFHLJ-UHFFFAOYSA-N 2 1 330.520 3.427 20 0 EGADMP CC(C)[C@@H]1[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC12CCOCC2 ZINC000666448696 461633338 /nfs/dbraw/zinc/63/33/38/461633338.db2.gz IXHBOGDFXUONOG-FQEVSTJZSA-N 2 1 346.515 3.264 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000663471767 461662159 /nfs/dbraw/zinc/66/21/59/461662159.db2.gz XWVHOJOECIJPOL-DOTOQJQBSA-N 2 1 330.472 3.230 20 0 EGADMP Cc1cc(CO)cc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)[nH+]1 ZINC000663483743 461668258 /nfs/dbraw/zinc/66/82/58/461668258.db2.gz SSIONZHRZCHKTE-HNNXBMFYSA-N 2 1 331.485 3.268 20 0 EGADMP Cc1cc(CO)cc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[nH+]1 ZINC000663483743 461668267 /nfs/dbraw/zinc/66/82/67/461668267.db2.gz SSIONZHRZCHKTE-HNNXBMFYSA-N 2 1 331.485 3.268 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000660256358 461669111 /nfs/dbraw/zinc/66/91/11/461669111.db2.gz KSBNRWKBXBYWEA-SOUVJXGZSA-N 2 1 346.437 3.488 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663595680 461717829 /nfs/dbraw/zinc/71/78/29/461717829.db2.gz JFXDHOIOIPESLG-GOSISDBHSA-N 2 1 344.503 3.040 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@@H]1[NH3+] ZINC000647497266 461735032 /nfs/dbraw/zinc/73/50/32/461735032.db2.gz BFSAAHCONYUNTK-PXNSSMCTSA-N 2 1 325.456 3.220 20 0 EGADMP Cc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c(N2CCCC2)n1 ZINC000643471273 461739232 /nfs/dbraw/zinc/73/92/32/461739232.db2.gz MGQBNCKIKVPRBU-HKUYNNGSSA-N 2 1 330.520 3.391 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnn(Cc4ccccc4Cl)c3)C[C@@H]21 ZINC000647511410 461740930 /nfs/dbraw/zinc/74/09/30/461740930.db2.gz IQDIACCQHDMWTK-VDZJLULYSA-N 2 1 344.890 3.144 20 0 EGADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c(Br)c1 ZINC000643522190 461752479 /nfs/dbraw/zinc/75/24/79/461752479.db2.gz JGVIUZQRCZPQFQ-VXGBXAGGSA-N 2 1 327.266 3.250 20 0 EGADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c2c(c1)OCCCO2 ZINC000647543477 461757029 /nfs/dbraw/zinc/75/70/29/461757029.db2.gz OFGNCXHOFRRQFX-DLBZAZTESA-N 2 1 330.472 3.060 20 0 EGADMP c1cn(-c2csc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2)cn1 ZINC000647544084 461760203 /nfs/dbraw/zinc/76/02/03/461760203.db2.gz WMXCDIFKNMJSFZ-JKSUJKDBSA-N 2 1 330.501 3.145 20 0 EGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660472390 461799384 /nfs/dbraw/zinc/79/93/84/461799384.db2.gz FMUZBUVFDLDOAB-IBGZPJMESA-N 2 1 331.504 3.200 20 0 EGADMP CC[C@H]1C[NH+](CC2(C[N@H+]3CCCO[C@@H](CC)C3)CCC2)CCCO1 ZINC000660469889 461799476 /nfs/dbraw/zinc/79/94/76/461799476.db2.gz RFJHSZUWQNNLQD-OALUTQOASA-N 2 1 338.536 3.159 20 0 EGADMP COCC1([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCOCC1 ZINC000639204236 461801966 /nfs/dbraw/zinc/80/19/66/461801966.db2.gz LNZINZPQUOZJRS-QUCCMNQESA-N 2 1 344.499 3.140 20 0 EGADMP COCC1([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCOCC1 ZINC000639204236 461801973 /nfs/dbraw/zinc/80/19/73/461801973.db2.gz LNZINZPQUOZJRS-QUCCMNQESA-N 2 1 344.499 3.140 20 0 EGADMP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639247187 461825310 /nfs/dbraw/zinc/82/53/10/461825310.db2.gz TUIQQZJMSIIUMW-PBEJRMEISA-N 2 1 338.499 3.309 20 0 EGADMP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639247187 461825316 /nfs/dbraw/zinc/82/53/16/461825316.db2.gz TUIQQZJMSIIUMW-PBEJRMEISA-N 2 1 338.499 3.309 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000663828217 461825707 /nfs/dbraw/zinc/82/57/07/461825707.db2.gz JDRAZKXIFHLKHT-MRXNPFEDSA-N 2 1 332.488 3.040 20 0 EGADMP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000666856352 461837664 /nfs/dbraw/zinc/83/76/64/461837664.db2.gz CNCKHPIJHZZCKH-DLBZAZTESA-N 2 1 338.879 3.130 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000656689988 461843885 /nfs/dbraw/zinc/84/38/85/461843885.db2.gz DMUCBKRXJSXWHM-SFTDATJTSA-N 2 1 326.484 3.261 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000656689988 461843895 /nfs/dbraw/zinc/84/38/95/461843895.db2.gz DMUCBKRXJSXWHM-SFTDATJTSA-N 2 1 326.484 3.261 20 0 EGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000656689985 461844478 /nfs/dbraw/zinc/84/44/78/461844478.db2.gz DMUCBKRXJSXWHM-RTWAWAEBSA-N 2 1 326.484 3.261 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000656689985 461844483 /nfs/dbraw/zinc/84/44/83/461844483.db2.gz DMUCBKRXJSXWHM-RTWAWAEBSA-N 2 1 326.484 3.261 20 0 EGADMP OC[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)CC1CC1 ZINC000639322238 461859043 /nfs/dbraw/zinc/85/90/43/461859043.db2.gz TZCNXYZLCHQNJI-HFSMHLIXSA-N 2 1 328.500 3.353 20 0 EGADMP OC[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)CC1CC1 ZINC000639322238 461859050 /nfs/dbraw/zinc/85/90/50/461859050.db2.gz TZCNXYZLCHQNJI-HFSMHLIXSA-N 2 1 328.500 3.353 20 0 EGADMP COc1cc(C[N@H+](C)C[C@H]2CC[NH2+]C2)ccc1OCc1ccccc1 ZINC000647872605 461865712 /nfs/dbraw/zinc/86/57/12/461865712.db2.gz GELWUTVZRTWCJQ-IBGZPJMESA-N 2 1 340.467 3.316 20 0 EGADMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)ccc1OCc1ccccc1 ZINC000647872605 461865720 /nfs/dbraw/zinc/86/57/20/461865720.db2.gz GELWUTVZRTWCJQ-IBGZPJMESA-N 2 1 340.467 3.316 20 0 EGADMP Clc1ccc2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cn2c1 ZINC000656786246 461897655 /nfs/dbraw/zinc/89/76/55/461897655.db2.gz QVLDPJLGAFLPDH-HNNXBMFYSA-N 2 1 332.879 3.199 20 0 EGADMP Cc1nc2ccc(C[N@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)cc2s1 ZINC000650707291 461899778 /nfs/dbraw/zinc/89/97/78/461899778.db2.gz CLDDCNQBUFUOPZ-BQFCYCMXSA-N 2 1 345.512 3.323 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000666995131 461903514 /nfs/dbraw/zinc/90/35/14/461903514.db2.gz DQHVRSWCKMOHAD-RLLQIKCJSA-N 2 1 327.516 3.304 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)CCN1Cc1ccccc1 ZINC000666995131 461903518 /nfs/dbraw/zinc/90/35/18/461903518.db2.gz DQHVRSWCKMOHAD-RLLQIKCJSA-N 2 1 327.516 3.304 20 0 EGADMP COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc(Cl)c1OC ZINC000650711363 461904766 /nfs/dbraw/zinc/90/47/66/461904766.db2.gz QWZHRGUHNJTDTJ-WFASDCNBSA-N 2 1 326.868 3.307 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc(Cl)c1OC ZINC000650711363 461904773 /nfs/dbraw/zinc/90/47/73/461904773.db2.gz QWZHRGUHNJTDTJ-WFASDCNBSA-N 2 1 326.868 3.307 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CNc4ccccc4C3)CC2)cc1 ZINC000650716312 461907687 /nfs/dbraw/zinc/90/76/87/461907687.db2.gz XCYZQYLVZLZYJW-NRFANRHFSA-N 2 1 335.495 3.320 20 0 EGADMP Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656042 461907791 /nfs/dbraw/zinc/90/77/91/461907791.db2.gz PHWSLNWVDIUELN-NRFANRHFSA-N 2 1 343.515 3.440 20 0 EGADMP Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656042 461907797 /nfs/dbraw/zinc/90/77/97/461907797.db2.gz PHWSLNWVDIUELN-NRFANRHFSA-N 2 1 343.515 3.440 20 0 EGADMP Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656042 461907802 /nfs/dbraw/zinc/90/78/02/461907802.db2.gz PHWSLNWVDIUELN-NRFANRHFSA-N 2 1 343.515 3.440 20 0 EGADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000647971837 461913500 /nfs/dbraw/zinc/91/35/00/461913500.db2.gz OASJGVAVWNVRFQ-RBUKOAKNSA-N 2 1 349.478 3.224 20 0 EGADMP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000647971837 461913504 /nfs/dbraw/zinc/91/35/04/461913504.db2.gz OASJGVAVWNVRFQ-RBUKOAKNSA-N 2 1 349.478 3.224 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2Cl)C1 ZINC000650724071 461916303 /nfs/dbraw/zinc/91/63/03/461916303.db2.gz XWDPWFQFTAATKB-PVAVHDDUSA-N 2 1 326.843 3.340 20 0 EGADMP CC1(C)Cc2cccc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)c2O1 ZINC000650723667 461916402 /nfs/dbraw/zinc/91/64/02/461916402.db2.gz ROICSYKFLMOGGI-OTWHNJEPSA-N 2 1 344.499 3.261 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975083 461917014 /nfs/dbraw/zinc/91/70/14/461917014.db2.gz KENVEPBFIDZIHL-HOTGVXAUSA-N 2 1 349.906 3.299 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2F)C1 ZINC000650723639 461917037 /nfs/dbraw/zinc/91/70/37/461917037.db2.gz RHQBFKAQCMJNHP-DJIMGWMZSA-N 2 1 326.843 3.340 20 0 EGADMP Fc1cccc(-n2ccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647977884 461920017 /nfs/dbraw/zinc/92/00/17/461920017.db2.gz JLGAOPBWLNKPGZ-DLBZAZTESA-N 2 1 342.462 3.223 20 0 EGADMP c1ccc(C[NH2+]C2CC[NH+](CCN3CCc4ccccc43)CC2)cc1 ZINC000660678727 461921707 /nfs/dbraw/zinc/92/17/07/461921707.db2.gz ZUEDKFMJNQANRJ-UHFFFAOYSA-N 2 1 335.495 3.303 20 0 EGADMP C[NH+](C)[C@@H](C[NH2+]CCC(=O)Nc1ccccc1F)C1CCCCC1 ZINC000644520548 461967899 /nfs/dbraw/zinc/96/78/99/461967899.db2.gz BHRFJKFGMXIWIH-SFHVURJKSA-N 2 1 335.467 3.254 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657304643 462030916 /nfs/dbraw/zinc/03/09/16/462030916.db2.gz PWSQEPASVJNBBY-FQEVSTJZSA-N 2 1 332.488 3.064 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1cnc2n1CCC2 ZINC000657399226 462098385 /nfs/dbraw/zinc/09/83/85/462098385.db2.gz QYVMQXIXOFOZMP-LFUKPOHLSA-N 2 1 338.499 3.076 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657399226 462098387 /nfs/dbraw/zinc/09/83/87/462098387.db2.gz QYVMQXIXOFOZMP-LFUKPOHLSA-N 3 1 338.499 3.076 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657399226 462098391 /nfs/dbraw/zinc/09/83/91/462098391.db2.gz QYVMQXIXOFOZMP-LFUKPOHLSA-N 3 1 338.499 3.076 20 0 EGADMP CCc1c(C)[nH+]c2ccccc2c1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664597888 462119035 /nfs/dbraw/zinc/11/90/35/462119035.db2.gz CVJFNFQDZAYEGC-QGZVFWFLSA-N 2 1 339.483 3.141 20 0 EGADMP Cc1ccc(C(=O)NC2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000639960104 462192990 /nfs/dbraw/zinc/19/29/90/462192990.db2.gz BFEFDSXRTOXTCN-UHFFFAOYSA-N 2 1 343.515 3.065 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000667663399 462198082 /nfs/dbraw/zinc/19/80/82/462198082.db2.gz MQIVCPQJGMYPHR-HKUYNNGSSA-N 2 1 332.488 3.018 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000667663399 462198086 /nfs/dbraw/zinc/19/80/86/462198086.db2.gz MQIVCPQJGMYPHR-HKUYNNGSSA-N 2 1 332.488 3.018 20 0 EGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000667668225 462201558 /nfs/dbraw/zinc/20/15/58/462201558.db2.gz GNJCAXAXBQFVNV-ICSRJNTNSA-N 2 1 332.488 3.161 20 0 EGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000667668225 462201562 /nfs/dbraw/zinc/20/15/62/462201562.db2.gz GNJCAXAXBQFVNV-ICSRJNTNSA-N 2 1 332.488 3.161 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000667668225 462201568 /nfs/dbraw/zinc/20/15/68/462201568.db2.gz GNJCAXAXBQFVNV-ICSRJNTNSA-N 2 1 332.488 3.161 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000667668225 462201570 /nfs/dbraw/zinc/20/15/70/462201570.db2.gz GNJCAXAXBQFVNV-ICSRJNTNSA-N 2 1 332.488 3.161 20 0 EGADMP COc1cncc(/C=C/CC[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000639983600 462204797 /nfs/dbraw/zinc/20/47/97/462204797.db2.gz KKCAXUZIEZPYMD-XVNBXDOJSA-N 2 1 329.488 3.444 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667727966 462233392 /nfs/dbraw/zinc/23/33/92/462233392.db2.gz LOVYPDYJPYATSB-AEFFLSMTSA-N 2 1 344.503 3.264 20 0 EGADMP COCc1ccccc1/C=C(\C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751216 462252182 /nfs/dbraw/zinc/25/21/82/462252182.db2.gz HCNLAWOOSQNULR-ZDJZVTAXSA-N 2 1 344.499 3.079 20 0 EGADMP CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000648794084 462279935 /nfs/dbraw/zinc/27/99/35/462279935.db2.gz QVNFONRCDUFGML-IBGZPJMESA-N 2 1 346.515 3.144 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000651686065 462302847 /nfs/dbraw/zinc/30/28/47/462302847.db2.gz OXCIUBFYIVAGGD-SFHVURJKSA-N 2 1 326.488 3.311 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000651686065 462302854 /nfs/dbraw/zinc/30/28/54/462302854.db2.gz OXCIUBFYIVAGGD-SFHVURJKSA-N 2 1 326.488 3.311 20 0 EGADMP C[NH+]1CCC2(CC1)CN(c1cc[nH+]c3ccc(Cl)cc31)CCO2 ZINC000645385482 462308582 /nfs/dbraw/zinc/30/85/82/462308582.db2.gz WOIWXLDXRUAPBG-UHFFFAOYSA-N 2 1 331.847 3.189 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000648872479 462313919 /nfs/dbraw/zinc/31/39/19/462313919.db2.gz ZEEVINGFFRJTQN-HXUWFJFHSA-N 2 1 345.531 3.076 20 0 EGADMP [NH3+]C1(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CCCC1 ZINC000665249392 462368664 /nfs/dbraw/zinc/36/86/64/462368664.db2.gz PMSXCYWZGMZOOV-CQSZACIVSA-N 2 1 327.241 3.437 20 0 EGADMP c1ccc([C@@H]2C[C@H](N[C@@H]3CC[N@H+](C4CCCCC4)C3)CC[NH2+]2)cc1 ZINC000665268312 462376875 /nfs/dbraw/zinc/37/68/75/462376875.db2.gz MDZSZUUCUBJEPX-SBHAEUEKSA-N 2 1 327.516 3.476 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000665277146 462380151 /nfs/dbraw/zinc/38/01/51/462380151.db2.gz UVJXYABXAHCMPR-ZCNNSNEGSA-N 2 1 327.516 3.148 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000665277146 462380159 /nfs/dbraw/zinc/38/01/59/462380159.db2.gz UVJXYABXAHCMPR-ZCNNSNEGSA-N 3 1 327.516 3.148 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000665277146 462380162 /nfs/dbraw/zinc/38/01/62/462380162.db2.gz UVJXYABXAHCMPR-ZCNNSNEGSA-N 3 1 327.516 3.148 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)c2ccccc21 ZINC000665289614 462387582 /nfs/dbraw/zinc/38/75/82/462387582.db2.gz SOIXLGDKBZCDNC-NCYKPQTJSA-N 2 1 349.478 3.462 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC000649044129 462387924 /nfs/dbraw/zinc/38/79/24/462387924.db2.gz SWGZSYNXORAKKA-INIZCTEOSA-N 2 1 347.528 3.155 20 0 EGADMP COc1ccccc1-c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)on1 ZINC000665299940 462391557 /nfs/dbraw/zinc/39/15/57/462391557.db2.gz VNULKGMFKGJHTB-RYQLBKOJSA-N 2 1 341.455 3.361 20 0 EGADMP COc1ccccc1-c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)on1 ZINC000665299939 462391849 /nfs/dbraw/zinc/39/18/49/462391849.db2.gz VNULKGMFKGJHTB-KBAYOESNSA-N 2 1 341.455 3.361 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCc1nc(-c2ccccc2)no1 ZINC000640530958 462430443 /nfs/dbraw/zinc/43/04/43/462430443.db2.gz JQPHBNHZBIVUOO-UHFFFAOYSA-N 2 1 342.487 3.477 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc(F)cc2c1OCOC2 ZINC000640532777 462431549 /nfs/dbraw/zinc/43/15/49/462431549.db2.gz WBHKXXCOEZVZNZ-UHFFFAOYSA-N 2 1 336.451 3.390 20 0 EGADMP COc1ccc(NC(=O)CC[N@@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC000640532878 462432181 /nfs/dbraw/zinc/43/21/81/462432181.db2.gz KULZITZUFOLGTG-UHFFFAOYSA-N 2 1 347.503 3.222 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@H]1CCc2ccccc2NC1=O ZINC000640534660 462432914 /nfs/dbraw/zinc/43/29/14/462432914.db2.gz RGFMMMHLOIIWIC-IBGZPJMESA-N 2 1 329.488 3.138 20 0 EGADMP CC(C)C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000652150461 462451347 /nfs/dbraw/zinc/45/13/47/462451347.db2.gz XLAVXWIVJKHENW-PKOBYXMFSA-N 2 1 349.494 3.090 20 0 EGADMP CCC[N@H+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000658286774 462455428 /nfs/dbraw/zinc/45/54/28/462455428.db2.gz UZEFZGCDPDOQGO-NCYKPQTJSA-N 2 1 327.516 3.256 20 0 EGADMP CCC[NH+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000658286774 462455433 /nfs/dbraw/zinc/45/54/33/462455433.db2.gz UZEFZGCDPDOQGO-NCYKPQTJSA-N 2 1 327.516 3.256 20 0 EGADMP CCC[NH+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000658286774 462455435 /nfs/dbraw/zinc/45/54/35/462455435.db2.gz UZEFZGCDPDOQGO-NCYKPQTJSA-N 2 1 327.516 3.256 20 0 EGADMP c1cn([C@@H]2CCC[N@@H+](Cc3ccn(CCc4ccccc4)n3)C2)cn1 ZINC000649287318 462466929 /nfs/dbraw/zinc/46/69/29/462466929.db2.gz NPWNVTLCGBLLCZ-HXUWFJFHSA-N 2 1 335.455 3.159 20 0 EGADMP c1cn([C@@H]2CCC[N@H+](Cc3ccn(CCc4ccccc4)n3)C2)cn1 ZINC000649287318 462466933 /nfs/dbraw/zinc/46/69/33/462466933.db2.gz NPWNVTLCGBLLCZ-HXUWFJFHSA-N 2 1 335.455 3.159 20 0 EGADMP CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418175 462504507 /nfs/dbraw/zinc/50/45/07/462504507.db2.gz BAUYVHMQMZPQBH-PMPSAXMXSA-N 2 1 337.533 3.452 20 0 EGADMP CCO[C@H](C)c1nc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418175 462504510 /nfs/dbraw/zinc/50/45/10/462504510.db2.gz BAUYVHMQMZPQBH-PMPSAXMXSA-N 2 1 337.533 3.452 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(Br)s1 ZINC000154188510 534446209 /nfs/dbraw/zinc/44/62/09/534446209.db2.gz ZALWNFHMYRDDOF-MDZLAQPJSA-N 2 1 331.323 3.371 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000183749360 527974275 /nfs/dbraw/zinc/97/42/75/527974275.db2.gz QIRACMHSNKAPRZ-AWEZNQCLSA-N 2 1 340.309 3.302 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000183749360 527974280 /nfs/dbraw/zinc/97/42/80/527974280.db2.gz QIRACMHSNKAPRZ-AWEZNQCLSA-N 2 1 340.309 3.302 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@](C)(c3ccccc3)C2)CC1 ZINC000191494507 529041567 /nfs/dbraw/zinc/04/15/67/529041567.db2.gz RXNVIEWAMBSNRD-QFIPXVFZSA-N 2 1 343.559 3.456 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)CC1 ZINC000191502190 529042691 /nfs/dbraw/zinc/04/26/91/529042691.db2.gz VQWCXTMNLSWTEN-ICSRJNTNSA-N 2 1 347.522 3.420 20 0 EGADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000154470105 529143840 /nfs/dbraw/zinc/14/38/40/529143840.db2.gz HJUACECIKGSMJM-OAHLLOKOSA-N 2 1 325.447 3.033 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)C2)CC1 ZINC000187191508 529151319 /nfs/dbraw/zinc/15/13/19/529151319.db2.gz NWYCINIIEJPPDI-YPAWHYETSA-N 2 1 341.543 3.209 20 0 EGADMP CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000236763606 535056804 /nfs/dbraw/zinc/05/68/04/535056804.db2.gz TWFOQBTYSVHSFB-IBGZPJMESA-N 2 1 331.504 3.051 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000246577867 535086481 /nfs/dbraw/zinc/08/64/81/535086481.db2.gz YJKXLZIEIXTJKC-QZTJIDSGSA-N 2 1 341.503 3.286 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000370495866 536355896 /nfs/dbraw/zinc/35/58/96/536355896.db2.gz GLMQLTMNMNBVQE-PMACEKPBSA-N 2 1 334.479 3.446 20 0 EGADMP c1cc(N2CCCCCC2)ncc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166193766 546988252 /nfs/dbraw/zinc/98/82/52/546988252.db2.gz DKRMHDUQRNARCD-RTBURBONSA-N 2 1 328.504 3.178 20 0 EGADMP c1cc(N2CCCCCC2)ncc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166193766 546988255 /nfs/dbraw/zinc/98/82/55/546988255.db2.gz DKRMHDUQRNARCD-RTBURBONSA-N 2 1 328.504 3.178 20 0 EGADMP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166400646 546988304 /nfs/dbraw/zinc/98/83/04/546988304.db2.gz BHNVRNTUYVAAOD-QZTJIDSGSA-N 3 1 333.545 3.177 20 0 EGADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000247150710 547287927 /nfs/dbraw/zinc/28/79/27/547287927.db2.gz XKDOZPCVGDVOSD-FPOVZHCZSA-N 2 1 338.499 3.330 20 0 EGADMP c1cc([C@H]2CCC[NH+]2CCCCC[N@H+]2CCC[C@@H]2c2cc[nH]n2)n[nH]1 ZINC000286011117 547390006 /nfs/dbraw/zinc/39/00/06/547390006.db2.gz GWXZJGFGNDKVIS-RTBURBONSA-N 2 1 342.491 3.277 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000339236673 547571307 /nfs/dbraw/zinc/57/13/07/547571307.db2.gz HAOQWGYWMNCNLI-ROUUACIJSA-N 2 1 347.503 3.187 20 0 EGADMP Cc1ccc([C@@H](CNC(=O)CC[N@@H+]2CCCC[C@H]2C)[NH+]2CCCC2)o1 ZINC000339253880 547572362 /nfs/dbraw/zinc/57/23/62/547572362.db2.gz FLYNXPRFRYCAOS-SJLPKXTDSA-N 2 1 347.503 3.106 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000390529159 547828345 /nfs/dbraw/zinc/82/83/45/547828345.db2.gz KTWZJOFGZDNOJK-IVAOSVALSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000390529159 547828351 /nfs/dbraw/zinc/82/83/51/547828351.db2.gz KTWZJOFGZDNOJK-IVAOSVALSA-N 2 1 327.516 3.161 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000398063582 547835428 /nfs/dbraw/zinc/83/54/28/547835428.db2.gz WZFADLRLDDQNLG-ZHALLVOQSA-N 2 1 346.515 3.464 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000414304176 547856089 /nfs/dbraw/zinc/85/60/89/547856089.db2.gz XNKUOPVPXBKLLO-SESVDKBCSA-N 2 1 342.458 3.327 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000414304176 547856092 /nfs/dbraw/zinc/85/60/92/547856092.db2.gz XNKUOPVPXBKLLO-SESVDKBCSA-N 2 1 342.458 3.327 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000414931615 547861630 /nfs/dbraw/zinc/86/16/30/547861630.db2.gz UUVFZADUILDKBC-KGLIPLIRSA-N 2 1 349.276 3.199 20 0 EGADMP C[C@@H](c1ccncc1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000674306346 548722276 /nfs/dbraw/zinc/72/22/76/548722276.db2.gz IRTJGNWNOCECTM-SFHVURJKSA-N 2 1 344.547 3.271 20 0 EGADMP C[C@@H](c1ccncc1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000674306346 548722283 /nfs/dbraw/zinc/72/22/83/548722283.db2.gz IRTJGNWNOCECTM-SFHVURJKSA-N 3 1 344.547 3.271 20 0 EGADMP C[C@@H](c1ccncc1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000674306346 548722288 /nfs/dbraw/zinc/72/22/88/548722288.db2.gz IRTJGNWNOCECTM-SFHVURJKSA-N 3 1 344.547 3.271 20 0 EGADMP c1[nH]nc2c1CCC[C@H]2[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000675765714 548976491 /nfs/dbraw/zinc/97/64/91/548976491.db2.gz NTMWOHSXEFXCQW-LJQANCHMSA-N 2 1 340.471 3.052 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3[nH]2)[C@H](C)C1 ZINC000675789731 548981874 /nfs/dbraw/zinc/98/18/74/548981874.db2.gz JWYWLJHVLGIIRQ-VQIMIIECSA-N 2 1 329.488 3.395 20 0 EGADMP Clc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000677237975 549234761 /nfs/dbraw/zinc/23/47/61/549234761.db2.gz SPORKHUWCBIOHI-HHXXYDBFSA-N 2 1 333.907 3.383 20 0 EGADMP COc1ccc(C2([NH2+]CCCCn3cc[nH+]c3C)CCOCC2)cc1 ZINC000678079439 549391804 /nfs/dbraw/zinc/39/18/04/549391804.db2.gz NCPLPASUTREOCX-UHFFFAOYSA-N 2 1 343.471 3.276 20 0 EGADMP CC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H]1CCOC1 ZINC000678151897 549411939 /nfs/dbraw/zinc/41/19/39/549411939.db2.gz VMHHISQTRRIFAQ-LJQANCHMSA-N 2 1 332.488 3.020 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000678281982 549459234 /nfs/dbraw/zinc/45/92/34/549459234.db2.gz KOVDDQAVDJOLLQ-MOPGFXCFSA-N 2 1 334.529 3.487 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCCc2cccc(Br)c2)CC[N@H+]1C ZINC000678583782 549523969 /nfs/dbraw/zinc/52/39/69/549523969.db2.gz CQABCUVBOOBTRQ-CJNGLKHVSA-N 2 1 325.294 3.454 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)c1ccccc1 ZINC000678762846 549555770 /nfs/dbraw/zinc/55/57/70/549555770.db2.gz PPPUQNGNJBWRLI-WIYYLYMNSA-N 2 1 340.511 3.435 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)c1ccccc1 ZINC000678762846 549555773 /nfs/dbraw/zinc/55/57/73/549555773.db2.gz PPPUQNGNJBWRLI-WIYYLYMNSA-N 2 1 340.511 3.435 20 0 EGADMP CCC1(CC)[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H](C)[C@H]1OC ZINC000678927416 549597398 /nfs/dbraw/zinc/59/73/98/549597398.db2.gz IXJMVMJGJAGTMY-QXCFHYIPSA-N 2 1 338.536 3.059 20 0 EGADMP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H]1CCCC[C@H]1O ZINC000679360190 549696141 /nfs/dbraw/zinc/69/61/41/549696141.db2.gz HYZWOLOWDSLTII-TZIWHRDSSA-N 2 1 346.515 3.144 20 0 EGADMP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H]1CCCC[C@@H]1O ZINC000679360185 549696152 /nfs/dbraw/zinc/69/61/52/549696152.db2.gz HYZWOLOWDSLTII-CTNGQTDRSA-N 2 1 346.515 3.144 20 0 EGADMP c1cc2c(nc[nH+]c2N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH]1 ZINC000680074679 549816500 /nfs/dbraw/zinc/81/65/00/549816500.db2.gz XJASGBJRMHLZAX-CGTJXYLNSA-N 2 1 333.439 3.280 20 0 EGADMP c1cc2c(nc[nH+]c2N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH]1 ZINC000680074679 549816504 /nfs/dbraw/zinc/81/65/04/549816504.db2.gz XJASGBJRMHLZAX-CGTJXYLNSA-N 2 1 333.439 3.280 20 0 EGADMP CC(C)c1ccc(CC[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000681110531 549955730 /nfs/dbraw/zinc/95/57/30/549955730.db2.gz HDFWSEPZXPRALQ-OAQYLSRUSA-N 2 1 329.532 3.064 20 0 EGADMP Cc1csc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000681387040 549990266 /nfs/dbraw/zinc/99/02/66/549990266.db2.gz CVFLHMQVHMKMML-WMZOPIPTSA-N 2 1 329.513 3.494 20 0 EGADMP CC[C@@]1(C)COCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000681490688 550004696 /nfs/dbraw/zinc/00/46/96/550004696.db2.gz AEHHMLKAYKFACX-FQEVSTJZSA-N 2 1 332.488 3.162 20 0 EGADMP CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000682094700 550073211 /nfs/dbraw/zinc/07/32/11/550073211.db2.gz RXGQFGBEVHEWEZ-HOTGVXAUSA-N 2 1 332.410 3.046 20 0 EGADMP CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000682094700 550073213 /nfs/dbraw/zinc/07/32/13/550073213.db2.gz RXGQFGBEVHEWEZ-HOTGVXAUSA-N 2 1 332.410 3.046 20 0 EGADMP C[C@@H]1C[N@@H+](C(C)(C)CNc2cc[nH+]c3c(O)cccc23)C[C@H](C)O1 ZINC000682238220 550085715 /nfs/dbraw/zinc/08/57/15/550085715.db2.gz OZAOYDFOSHFANE-OKILXGFUSA-N 2 1 329.444 3.240 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCC(F)(F)CC1 ZINC000682731765 550137679 /nfs/dbraw/zinc/13/76/79/550137679.db2.gz HXAPAIOOIMTXGE-YOEHRIQHSA-N 2 1 330.463 3.433 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000683358870 550221694 /nfs/dbraw/zinc/22/16/94/550221694.db2.gz ONKPLFLNRKSGQM-QGZVFWFLSA-N 2 1 328.460 3.001 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000683358870 550221697 /nfs/dbraw/zinc/22/16/97/550221697.db2.gz ONKPLFLNRKSGQM-QGZVFWFLSA-N 2 1 328.460 3.001 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cccnc32)[C@H](C)C1 ZINC000684957881 550388477 /nfs/dbraw/zinc/38/84/77/550388477.db2.gz ZKYBISCUAAUMFU-NZSAHSFTSA-N 2 1 331.504 3.186 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cccnc32)[C@H](C)C1 ZINC000684957881 550388479 /nfs/dbraw/zinc/38/84/79/550388479.db2.gz ZKYBISCUAAUMFU-NZSAHSFTSA-N 2 1 331.504 3.186 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]Cc2c(Cl)ccc3cccnc32)CC1(C)C ZINC000685042946 550396322 /nfs/dbraw/zinc/39/63/22/550396322.db2.gz PEOSGVNTSUGMNJ-UHFFFAOYSA-N 2 1 346.906 3.004 20 0 EGADMP C[N@@H+](Cc1cc2cc(F)ccc2o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457940 550418844 /nfs/dbraw/zinc/41/88/44/550418844.db2.gz UGBKNCUQUNFQCL-SFHVURJKSA-N 2 1 345.462 3.172 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ncccc3C(F)(F)F)C2)CC1 ZINC000685463150 550420231 /nfs/dbraw/zinc/42/02/31/550420231.db2.gz SGCRAVKEVLOLRD-CQSZACIVSA-N 2 1 327.394 3.264 20 0 EGADMP O[C@H](C[N@H+](CCc1ccc(Cl)cc1)CC1CC1)C[NH+]1CCCC1 ZINC000735168525 575610183 /nfs/dbraw/zinc/61/01/83/575610183.db2.gz NUHAJMVQDCLHOI-IBGZPJMESA-N 2 1 336.907 3.051 20 0 EGADMP O[C@H](C[N@@H+](CCc1ccc(Cl)cc1)CC1CC1)C[NH+]1CCCC1 ZINC000735168525 575610187 /nfs/dbraw/zinc/61/01/87/575610187.db2.gz NUHAJMVQDCLHOI-IBGZPJMESA-N 2 1 336.907 3.051 20 0 EGADMP COc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)cc1 ZINC000678686106 576169302 /nfs/dbraw/zinc/16/93/02/576169302.db2.gz OGWHKMGLMDSAQP-SFTDATJTSA-N 2 1 344.499 3.379 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000067223077 1292154238 /nfs/dbraw/zinc/15/42/38/1292154238.db2.gz BJZQJKDHILMAGU-ZDUSSCGKSA-N 2 1 329.257 3.410 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000067223077 1292154242 /nfs/dbraw/zinc/15/42/42/1292154242.db2.gz BJZQJKDHILMAGU-ZDUSSCGKSA-N 2 1 329.257 3.410 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000067222643 1292154820 /nfs/dbraw/zinc/15/48/20/1292154820.db2.gz GBKCNHYKYRIMNM-SFHVURJKSA-N 2 1 339.483 3.482 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000067222643 1292154826 /nfs/dbraw/zinc/15/48/26/1292154826.db2.gz GBKCNHYKYRIMNM-SFHVURJKSA-N 2 1 339.483 3.482 20 0 EGADMP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000067976742 1292179452 /nfs/dbraw/zinc/17/94/52/1292179452.db2.gz CGJOXDWWAPEWPN-QGZVFWFLSA-N 2 1 340.467 3.206 20 0 EGADMP COc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000067976742 1292179454 /nfs/dbraw/zinc/17/94/54/1292179454.db2.gz CGJOXDWWAPEWPN-QGZVFWFLSA-N 2 1 340.467 3.206 20 0 EGADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2csc(C3CC3)n2)cc1 ZINC000069877090 1292253632 /nfs/dbraw/zinc/25/36/32/1292253632.db2.gz MPINYCXOSSYWLO-UHFFFAOYSA-N 2 1 331.485 3.251 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000076004977 1292417261 /nfs/dbraw/zinc/41/72/61/1292417261.db2.gz VVMMSFDDDCIVMQ-IBGZPJMESA-N 2 1 343.515 3.086 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000076004977 1292417268 /nfs/dbraw/zinc/41/72/68/1292417268.db2.gz VVMMSFDDDCIVMQ-IBGZPJMESA-N 2 1 343.515 3.086 20 0 EGADMP Cc1cc(F)ccc1C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000076400012 1292428335 /nfs/dbraw/zinc/42/83/35/1292428335.db2.gz SGFLBXGKAKBZPO-UHFFFAOYSA-N 2 1 341.474 3.171 20 0 EGADMP CCC(CC)[C@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)[NH+](C)C ZINC000089137665 1292757780 /nfs/dbraw/zinc/75/77/80/1292757780.db2.gz RICUCNMXKBNMNV-SFHVURJKSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccccc2)C1 ZINC000093067181 1292906120 /nfs/dbraw/zinc/90/61/20/1292906120.db2.gz NVRSTBAWOUFAHN-KRWDZBQOSA-N 2 1 326.488 3.297 20 0 EGADMP COc1cc2c(c(C[NH2+]C[C@H]3CCC[N@@H+](C(C)C)C3)c1)O[C@H](C)C2 ZINC000105456120 1293035783 /nfs/dbraw/zinc/03/57/83/1293035783.db2.gz SMVIOEZWKLCBNX-HZPDHXFCSA-N 2 1 332.488 3.229 20 0 EGADMP COc1cc2c(c(C[NH2+]C[C@H]3CCC[N@H+](C(C)C)C3)c1)O[C@H](C)C2 ZINC000105456120 1293035790 /nfs/dbraw/zinc/03/57/90/1293035790.db2.gz SMVIOEZWKLCBNX-HZPDHXFCSA-N 2 1 332.488 3.229 20 0 EGADMP COCC[NH+]1CCC([NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000131227782 1293683626 /nfs/dbraw/zinc/68/36/26/1293683626.db2.gz AYCDDGHBTNWINH-UHFFFAOYSA-N 2 1 333.863 3.089 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)C1 ZINC000151123780 1293909057 /nfs/dbraw/zinc/90/90/57/1293909057.db2.gz ZTBOXUDWRSNLJA-GOSISDBHSA-N 2 1 344.547 3.043 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(CC)(CC)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000154563946 1294060322 /nfs/dbraw/zinc/06/03/22/1294060322.db2.gz WNSHJPFRMRSJAV-JKSUJKDBSA-N 2 1 341.540 3.390 20 0 EGADMP C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)CC1CC[NH+](C)CC1 ZINC000154770726 1294069303 /nfs/dbraw/zinc/06/93/03/1294069303.db2.gz RUPHBRLHBVDTPS-UHFFFAOYSA-N 2 1 330.394 3.358 20 0 EGADMP C[C@H]1C[C@@H](N(C)C(=O)CCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000155692976 1294110595 /nfs/dbraw/zinc/11/05/95/1294110595.db2.gz UNZBCSFQXRAVLC-HKUYNNGSSA-N 2 1 331.504 3.017 20 0 EGADMP Clc1ccc([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)n2cccn2)cc1 ZINC000166801547 1294364701 /nfs/dbraw/zinc/36/47/01/1294364701.db2.gz MVCFNUKFJXARPH-OTWHNJEPSA-N 2 1 344.890 3.342 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000182554650 1295058590 /nfs/dbraw/zinc/05/85/90/1295058590.db2.gz TZAZHLLULQESLP-BBWFWOEESA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000182684308 1295066976 /nfs/dbraw/zinc/06/69/76/1295066976.db2.gz NIPWYUMNKSPMBW-QGZVFWFLSA-N 2 1 341.540 3.484 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000237405240 1296242156 /nfs/dbraw/zinc/24/21/56/1296242156.db2.gz YAZYIQNDWAFBCD-OXJNMPFZSA-N 2 1 343.471 3.175 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261547216 1296593782 /nfs/dbraw/zinc/59/37/82/1296593782.db2.gz HRTUXZSMUWXCBV-HMXCVIKNSA-N 2 1 329.532 3.409 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261547216 1296593790 /nfs/dbraw/zinc/59/37/90/1296593790.db2.gz HRTUXZSMUWXCBV-HMXCVIKNSA-N 3 1 329.532 3.409 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261547216 1296593797 /nfs/dbraw/zinc/59/37/97/1296593797.db2.gz HRTUXZSMUWXCBV-HMXCVIKNSA-N 3 1 329.532 3.409 20 0 EGADMP FC(F)(F)COc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262052310 1296616652 /nfs/dbraw/zinc/61/66/52/1296616652.db2.gz QHHIKPRYMAJPBM-UHFFFAOYSA-N 2 1 328.378 3.203 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000305143330 1296985336 /nfs/dbraw/zinc/98/53/36/1296985336.db2.gz QXXVZUFQBDYBDT-INIZCTEOSA-N 2 1 331.287 3.491 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccnc(Cl)c1 ZINC000305773650 1297048005 /nfs/dbraw/zinc/04/80/05/1297048005.db2.gz XGKSOKRLIWITMR-RRQGHBQHSA-N 2 1 337.895 3.154 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC[N@@H+]1C ZINC000310065570 1297087995 /nfs/dbraw/zinc/08/79/95/1297087995.db2.gz PUVFTPPKNXEBSH-PMPSAXMXSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC[N@H+]1C ZINC000310065570 1297088006 /nfs/dbraw/zinc/08/80/06/1297088006.db2.gz PUVFTPPKNXEBSH-PMPSAXMXSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@]1(C[NH2+]C[C@H](O)c2cccc(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310881023 1297101779 /nfs/dbraw/zinc/10/17/79/1297101779.db2.gz IEIOFCRLZMQKKG-LEWJYISDSA-N 2 1 342.458 3.361 20 0 EGADMP c1ccc(C(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc2)cc1 ZINC000327841596 1297251903 /nfs/dbraw/zinc/25/19/03/1297251903.db2.gz RJAFJIUSBGXVRW-RTWAWAEBSA-N 2 1 336.479 3.271 20 0 EGADMP c1ccc(C(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccccc2)cc1 ZINC000327841596 1297251908 /nfs/dbraw/zinc/25/19/08/1297251908.db2.gz RJAFJIUSBGXVRW-RTWAWAEBSA-N 2 1 336.479 3.271 20 0 EGADMP C[C@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)c1c[nH+]ccc1N ZINC000873241326 1297381660 /nfs/dbraw/zinc/38/16/60/1297381660.db2.gz GJXIZAMGTDBFCD-KRWDZBQOSA-N 3 1 338.499 3.447 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000873283565 1297408622 /nfs/dbraw/zinc/40/86/22/1297408622.db2.gz WWVXYAMHUCHIPY-GFCCVEGCSA-N 2 1 339.468 3.218 20 0 EGADMP C[C@H](CCNC(=O)[C@@H]([NH3+])CC1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000379664710 1297539232 /nfs/dbraw/zinc/53/92/32/1297539232.db2.gz QAJYWRGNYMQOBB-XLIONFOSSA-N 2 1 345.531 3.311 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000387628038 1297597513 /nfs/dbraw/zinc/59/75/13/1297597513.db2.gz DPORHZJPMAKYJA-WIYYLYMNSA-N 2 1 345.531 3.039 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC000401333948 1297739994 /nfs/dbraw/zinc/73/99/94/1297739994.db2.gz QRILJYRCOVHVOS-SFHVURJKSA-N 2 1 347.503 3.143 20 0 EGADMP CCC(CC)[C@@H](C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000686218701 1298115014 /nfs/dbraw/zinc/11/50/14/1298115014.db2.gz CITUXYSEVJQZKK-RHSMWYFYSA-N 2 1 341.540 3.198 20 0 EGADMP CCOC(=O)[C@@H](C)[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000691877288 1298139246 /nfs/dbraw/zinc/13/92/46/1298139246.db2.gz XWUFMPCSSVGVFB-GOSISDBHSA-N 2 1 344.499 3.316 20 0 EGADMP COc1cncc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000700073077 1298174488 /nfs/dbraw/zinc/17/44/88/1298174488.db2.gz TXKAAMMGOPWZPO-LPHOPBHVSA-N 2 1 325.456 3.233 20 0 EGADMP COc1cncc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000700073077 1298174496 /nfs/dbraw/zinc/17/44/96/1298174496.db2.gz TXKAAMMGOPWZPO-LPHOPBHVSA-N 2 1 325.456 3.233 20 0 EGADMP C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000704046829 1298204220 /nfs/dbraw/zinc/20/42/20/1298204220.db2.gz WBDMXHYVGQIMEL-NBYUQASBSA-N 2 1 343.515 3.063 20 0 EGADMP O[C@H](CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000705878314 1298216517 /nfs/dbraw/zinc/21/65/17/1298216517.db2.gz MGBOMIQLSGKRJV-BHIFYINESA-N 2 1 336.479 3.174 20 0 EGADMP O[C@H](CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000705878314 1298216525 /nfs/dbraw/zinc/21/65/25/1298216525.db2.gz MGBOMIQLSGKRJV-BHIFYINESA-N 2 1 336.479 3.174 20 0 EGADMP O[C@H](CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000705878314 1298216532 /nfs/dbraw/zinc/21/65/32/1298216532.db2.gz MGBOMIQLSGKRJV-BHIFYINESA-N 2 1 336.479 3.174 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(O)c(F)c1 ZINC000708552618 1298242202 /nfs/dbraw/zinc/24/22/02/1298242202.db2.gz WIWTZKCGICRUDK-CRAIPNDOSA-N 2 1 328.431 3.389 20 0 EGADMP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCCNC(=O)C2)CCCCC1 ZINC000714234169 1298272213 /nfs/dbraw/zinc/27/22/13/1298272213.db2.gz IDXZQAJKQIDCGF-IBGZPJMESA-N 2 1 343.515 3.080 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCCNC(=O)C2)CCCCC1 ZINC000714234169 1298272218 /nfs/dbraw/zinc/27/22/18/1298272218.db2.gz IDXZQAJKQIDCGF-IBGZPJMESA-N 2 1 343.515 3.080 20 0 EGADMP C[N@H+](CC[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000724030381 1298345858 /nfs/dbraw/zinc/34/58/58/1298345858.db2.gz SUVCUIDUKLFCFK-JKSUJKDBSA-N 2 1 339.524 3.144 20 0 EGADMP C[N@@H+](CC[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000724030381 1298345872 /nfs/dbraw/zinc/34/58/72/1298345872.db2.gz SUVCUIDUKLFCFK-JKSUJKDBSA-N 2 1 339.524 3.144 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000746147959 1298542834 /nfs/dbraw/zinc/54/28/34/1298542834.db2.gz SNWFVCXTMHACJS-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000746147959 1298542843 /nfs/dbraw/zinc/54/28/43/1298542843.db2.gz SNWFVCXTMHACJS-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP CCCn1cc(C[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)nn1 ZINC000876878216 1299048137 /nfs/dbraw/zinc/04/81/37/1299048137.db2.gz VJRMRCCAXAWGPW-UHFFFAOYSA-N 2 1 333.524 3.022 20 0 EGADMP CCCn1cc(C[NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)nn1 ZINC000876878216 1299048146 /nfs/dbraw/zinc/04/81/46/1299048146.db2.gz VJRMRCCAXAWGPW-UHFFFAOYSA-N 2 1 333.524 3.022 20 0 EGADMP c1ccc([C@H]2C[C@H]([NH2+]CCOc3cccnc3)CC[N@@H+]2C2CC2)cc1 ZINC000877038630 1299126668 /nfs/dbraw/zinc/12/66/68/1299126668.db2.gz URLXELFUMOQASF-WIYYLYMNSA-N 2 1 337.467 3.418 20 0 EGADMP c1ccc([C@H]2C[C@H]([NH2+]CCOc3cccnc3)CC[N@H+]2C2CC2)cc1 ZINC000877038630 1299126679 /nfs/dbraw/zinc/12/66/79/1299126679.db2.gz URLXELFUMOQASF-WIYYLYMNSA-N 2 1 337.467 3.418 20 0 EGADMP C[C@@H](CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000750851324 1299464299 /nfs/dbraw/zinc/46/42/99/1299464299.db2.gz JFFLBZUXHLVCJN-KRWDZBQOSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(OCc4ccncc4)cc3)CC[C@@H]21 ZINC000877742923 1299519046 /nfs/dbraw/zinc/51/90/46/1299519046.db2.gz HMUGENPDFGVJLS-FPOVZHCZSA-N 2 1 337.467 3.187 20 0 EGADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(OCc4ccncc4)cc3)CC[C@@H]21 ZINC000877742923 1299519057 /nfs/dbraw/zinc/51/90/57/1299519057.db2.gz HMUGENPDFGVJLS-FPOVZHCZSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(OCc4ccncc4)cc3)CC[C@@H]21 ZINC000877742923 1299519062 /nfs/dbraw/zinc/51/90/62/1299519062.db2.gz HMUGENPDFGVJLS-FPOVZHCZSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(OCc4ccncc4)cc3)CC[C@@H]21 ZINC000877742923 1299519072 /nfs/dbraw/zinc/51/90/72/1299519072.db2.gz HMUGENPDFGVJLS-FPOVZHCZSA-N 2 1 337.467 3.187 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CCC4OCCCO4)C3)C2)cc1 ZINC000754659730 1300186224 /nfs/dbraw/zinc/18/62/24/1300186224.db2.gz LPBZORAFQPNZEB-NRFANRHFSA-N 2 1 344.499 3.128 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CCC4OCCCO4)C3)C2)cc1 ZINC000754659730 1300186228 /nfs/dbraw/zinc/18/62/28/1300186228.db2.gz LPBZORAFQPNZEB-NRFANRHFSA-N 2 1 344.499 3.128 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CCC4OCCCO4)C3)C2)cc1 ZINC000754659730 1300186232 /nfs/dbraw/zinc/18/62/32/1300186232.db2.gz LPBZORAFQPNZEB-NRFANRHFSA-N 2 1 344.499 3.128 20 0 EGADMP c1cc(N2CCCCC2)ccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000754785345 1300215724 /nfs/dbraw/zinc/21/57/24/1300215724.db2.gz KPGKYWKLKIQFGZ-CTNGQTDRSA-N 2 1 327.516 3.436 20 0 EGADMP O[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000754795793 1300217407 /nfs/dbraw/zinc/21/74/07/1300217407.db2.gz OVXOODPSCPENFS-HEHGZKQESA-N 2 1 329.271 3.243 20 0 EGADMP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000754795793 1300217416 /nfs/dbraw/zinc/21/74/16/1300217416.db2.gz OVXOODPSCPENFS-HEHGZKQESA-N 2 1 329.271 3.243 20 0 EGADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000754795793 1300217426 /nfs/dbraw/zinc/21/74/26/1300217426.db2.gz OVXOODPSCPENFS-HEHGZKQESA-N 2 1 329.271 3.243 20 0 EGADMP CC(C)=C(C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000755206773 1300299849 /nfs/dbraw/zinc/29/98/49/1300299849.db2.gz MTBIMSGDQNMNMA-RBUKOAKNSA-N 2 1 335.536 3.138 20 0 EGADMP CCCCCCNC(=O)[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000760832151 1301345610 /nfs/dbraw/zinc/34/56/10/1301345610.db2.gz VSUKWXOHARYYTR-RBUKOAKNSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCCCNC(=O)[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000760832151 1301345625 /nfs/dbraw/zinc/34/56/25/1301345625.db2.gz VSUKWXOHARYYTR-RBUKOAKNSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCCCNC(=O)[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000760832151 1301345635 /nfs/dbraw/zinc/34/56/35/1301345635.db2.gz VSUKWXOHARYYTR-RBUKOAKNSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)(C)OC(=O)NC(C)(C)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000761202795 1301420157 /nfs/dbraw/zinc/42/01/57/1301420157.db2.gz MKPCYNJYZFKUJQ-INIZCTEOSA-N 2 1 339.524 3.098 20 0 EGADMP CC(C)(C)OC(=O)NC(C)(C)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000761202795 1301420159 /nfs/dbraw/zinc/42/01/59/1301420159.db2.gz MKPCYNJYZFKUJQ-INIZCTEOSA-N 2 1 339.524 3.098 20 0 EGADMP CC(C)[C@@H]1CC(=O)N(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1 ZINC000763216172 1301847189 /nfs/dbraw/zinc/84/71/89/1301847189.db2.gz OHUUZPOPBWDDEM-UYAOXDASSA-N 2 1 349.563 3.425 20 0 EGADMP CC(C)[C@@H]1CC(=O)N(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1 ZINC000763216172 1301847202 /nfs/dbraw/zinc/84/72/02/1301847202.db2.gz OHUUZPOPBWDDEM-UYAOXDASSA-N 2 1 349.563 3.425 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+]CCN3CCc4ccccc43)CC2)cc1 ZINC000765416617 1302262154 /nfs/dbraw/zinc/26/21/54/1302262154.db2.gz OJMIMEBLNCZUOK-UHFFFAOYSA-N 2 1 349.522 3.346 20 0 EGADMP Cc1nc2c(s1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCC2 ZINC000765974378 1302360555 /nfs/dbraw/zinc/36/05/55/1302360555.db2.gz GPCNDYJESCLKLS-WBVHZDCISA-N 2 1 335.517 3.062 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc2c(c1)CCO2 ZINC000765974407 1302361702 /nfs/dbraw/zinc/36/17/02/1302361702.db2.gz HAIYXAFTUQZKBI-PMACEKPBSA-N 2 1 344.499 3.306 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cn1cccn1 ZINC000766166929 1302402497 /nfs/dbraw/zinc/40/24/97/1302402497.db2.gz XSFIEHWQNXPOJE-TXPKVOOTSA-N 2 1 342.487 3.073 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cn1cccn1 ZINC000766166929 1302402503 /nfs/dbraw/zinc/40/25/03/1302402503.db2.gz XSFIEHWQNXPOJE-TXPKVOOTSA-N 2 1 342.487 3.073 20 0 EGADMP Cc1nc(C)c(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000883427611 1302441044 /nfs/dbraw/zinc/44/10/44/1302441044.db2.gz WZRCFYZOLQMQOB-MOPGFXCFSA-N 2 1 327.472 3.464 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000768302022 1302875401 /nfs/dbraw/zinc/87/54/01/1302875401.db2.gz GQYVWYZQFNMCQH-UHFFFAOYSA-N 2 1 345.874 3.472 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000768302022 1302875412 /nfs/dbraw/zinc/87/54/12/1302875412.db2.gz GQYVWYZQFNMCQH-UHFFFAOYSA-N 2 1 345.874 3.472 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CC(C(F)F)C3)CC2)oc1C ZINC000769510475 1303131627 /nfs/dbraw/zinc/13/16/27/1303131627.db2.gz SXGBWZRYCOYVBK-UHFFFAOYSA-N 2 1 327.419 3.137 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000769684578 1303157210 /nfs/dbraw/zinc/15/72/10/1303157210.db2.gz NVMDAAUPPOCOEE-VQHPVUNQSA-N 2 1 341.540 3.388 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000769684578 1303157215 /nfs/dbraw/zinc/15/72/15/1303157215.db2.gz NVMDAAUPPOCOEE-VQHPVUNQSA-N 2 1 341.540 3.388 20 0 EGADMP COc1cccc2cc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)oc21 ZINC000770347199 1303251597 /nfs/dbraw/zinc/25/15/97/1303251597.db2.gz HDVSNXSZSCPGPE-VDZJLULYSA-N 2 1 344.455 3.125 20 0 EGADMP COc1cccc2cc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)oc21 ZINC000770347199 1303251603 /nfs/dbraw/zinc/25/16/03/1303251603.db2.gz HDVSNXSZSCPGPE-VDZJLULYSA-N 2 1 344.455 3.125 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@H]2CCOC3(CCOCC3)C2)C1 ZINC000885937768 1303286802 /nfs/dbraw/zinc/28/68/02/1303286802.db2.gz JOMVPMHTEYLNFR-KSZLIROESA-N 2 1 338.536 3.061 20 0 EGADMP COc1ccc(COCC[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cc1 ZINC000886665603 1303545193 /nfs/dbraw/zinc/54/51/93/1303545193.db2.gz BTLYDUXKDQXESQ-UHFFFAOYSA-N 2 1 343.471 3.431 20 0 EGADMP CO[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000775536077 1303980637 /nfs/dbraw/zinc/98/06/37/1303980637.db2.gz IYUIKDCGXBCQET-FVQBIDKESA-N 2 1 330.394 3.064 20 0 EGADMP CO[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000775536077 1303980641 /nfs/dbraw/zinc/98/06/41/1303980641.db2.gz IYUIKDCGXBCQET-FVQBIDKESA-N 2 1 330.394 3.064 20 0 EGADMP CC[N@@H+](Cc1ccc(OC)cn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000775971948 1304072980 /nfs/dbraw/zinc/07/29/80/1304072980.db2.gz GHEQOSFNBLCUAU-LJQANCHMSA-N 2 1 339.483 3.434 20 0 EGADMP CC[N@H+](Cc1ccc(OC)cn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000775971948 1304072987 /nfs/dbraw/zinc/07/29/87/1304072987.db2.gz GHEQOSFNBLCUAU-LJQANCHMSA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](Cc1ccc(OC)cn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775971948 1304072990 /nfs/dbraw/zinc/07/29/90/1304072990.db2.gz GHEQOSFNBLCUAU-LJQANCHMSA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](Cc1ccc(OC)cn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775971948 1304072999 /nfs/dbraw/zinc/07/29/99/1304072999.db2.gz GHEQOSFNBLCUAU-LJQANCHMSA-N 2 1 339.483 3.434 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(C)o1 ZINC000781638669 1304851799 /nfs/dbraw/zinc/85/17/99/1304851799.db2.gz NQLIOONDKYZHSQ-FQEVSTJZSA-N 2 1 328.456 3.143 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CC(C)(C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000782188794 1304928164 /nfs/dbraw/zinc/92/81/64/1304928164.db2.gz PYRCRIARHIPBED-HOTGVXAUSA-N 2 1 341.540 3.342 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000782188794 1304928165 /nfs/dbraw/zinc/92/81/65/1304928165.db2.gz PYRCRIARHIPBED-HOTGVXAUSA-N 2 1 341.540 3.342 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000782188794 1304928169 /nfs/dbraw/zinc/92/81/69/1304928169.db2.gz PYRCRIARHIPBED-HOTGVXAUSA-N 2 1 341.540 3.342 20 0 EGADMP CCOCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000783488809 1305098253 /nfs/dbraw/zinc/09/82/53/1305098253.db2.gz IVERPEMSKMBNEU-IBGZPJMESA-N 2 1 332.488 3.367 20 0 EGADMP CCOCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000783488809 1305098260 /nfs/dbraw/zinc/09/82/60/1305098260.db2.gz IVERPEMSKMBNEU-IBGZPJMESA-N 2 1 332.488 3.367 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000892143471 1305266535 /nfs/dbraw/zinc/26/65/35/1305266535.db2.gz IMRXTMSXUFYJRK-GOSISDBHSA-N 2 1 336.524 3.014 20 0 EGADMP COCCOC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000892574813 1305449102 /nfs/dbraw/zinc/44/91/02/1305449102.db2.gz NQTGNZTYAITGRH-MSOLQXFVSA-N 2 1 334.504 3.060 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(O)c(F)c3)c2)CCO1 ZINC000892677207 1305501963 /nfs/dbraw/zinc/50/19/63/1305501963.db2.gz WIGZBUZXVQSRMO-OAHLLOKOSA-N 2 1 344.430 3.042 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(O)c(F)c3)c2)CCO1 ZINC000892677207 1305501968 /nfs/dbraw/zinc/50/19/68/1305501968.db2.gz WIGZBUZXVQSRMO-OAHLLOKOSA-N 2 1 344.430 3.042 20 0 EGADMP CCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000892738361 1305530717 /nfs/dbraw/zinc/53/07/17/1305530717.db2.gz BJTHOBIOWKGVCZ-IBGZPJMESA-N 2 1 326.488 3.213 20 0 EGADMP CCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000892738361 1305530727 /nfs/dbraw/zinc/53/07/27/1305530727.db2.gz BJTHOBIOWKGVCZ-IBGZPJMESA-N 2 1 326.488 3.213 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000893103175 1305708041 /nfs/dbraw/zinc/70/80/41/1305708041.db2.gz MCPIAJVKXRCUMW-WGMWDUQUSA-N 3 1 329.532 3.074 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000893103175 1305708043 /nfs/dbraw/zinc/70/80/43/1305708043.db2.gz MCPIAJVKXRCUMW-WGMWDUQUSA-N 2 1 329.532 3.074 20 0 EGADMP CCn1cc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c(C)n1 ZINC000893102619 1305708566 /nfs/dbraw/zinc/70/85/66/1305708566.db2.gz AOZGNKCPLMTJBY-IAGOWNOFSA-N 2 1 340.515 3.458 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)CC1 ZINC000788489412 1305954958 /nfs/dbraw/zinc/95/49/58/1305954958.db2.gz PCLMKUCGTGZYMN-GOSISDBHSA-N 2 1 345.535 3.374 20 0 EGADMP C[NH+]1CCC(C[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)CC1 ZINC000788489412 1305954965 /nfs/dbraw/zinc/95/49/65/1305954965.db2.gz PCLMKUCGTGZYMN-GOSISDBHSA-N 2 1 345.535 3.374 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)CC1 ZINC000788489412 1305954974 /nfs/dbraw/zinc/95/49/74/1305954974.db2.gz PCLMKUCGTGZYMN-GOSISDBHSA-N 2 1 345.535 3.374 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)CC1 ZINC000894814106 1309084973 /nfs/dbraw/zinc/08/49/73/1309084973.db2.gz XZJLBDULGJQYQO-MRXNPFEDSA-N 2 1 338.293 3.323 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1c[nH]nc1-c1cccnc1 ZINC000895685427 1309464232 /nfs/dbraw/zinc/46/42/32/1309464232.db2.gz LUACAZBMXKPXSW-UHFFFAOYSA-N 2 1 327.476 3.170 20 0 EGADMP c1cncc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CCC2)c1 ZINC000795794585 1309835552 /nfs/dbraw/zinc/83/55/52/1309835552.db2.gz JWSRIKRKIRXTKS-PMACEKPBSA-N 2 1 329.488 3.156 20 0 EGADMP Clc1cccc(Cl)c1CCC[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000795927838 1309863627 /nfs/dbraw/zinc/86/36/27/1309863627.db2.gz QAQIEGHPJBOSKQ-KBPBESRZSA-N 2 1 343.298 3.379 20 0 EGADMP Clc1cccc(Cl)c1CCC[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000795927838 1309863630 /nfs/dbraw/zinc/86/36/30/1309863630.db2.gz QAQIEGHPJBOSKQ-KBPBESRZSA-N 2 1 343.298 3.379 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+]2C(C)(C)C)[C@H]1c1cccs1 ZINC000896642939 1309951038 /nfs/dbraw/zinc/95/10/38/1309951038.db2.gz FMYRBDNFRSIKGQ-VYDXJSESSA-N 2 1 349.544 3.120 20 0 EGADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)[C@H]1c1cccs1 ZINC000896642939 1309951044 /nfs/dbraw/zinc/95/10/44/1309951044.db2.gz FMYRBDNFRSIKGQ-VYDXJSESSA-N 2 1 349.544 3.120 20 0 EGADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)[C@H]1c1cccs1 ZINC000896642939 1309951045 /nfs/dbraw/zinc/95/10/45/1309951045.db2.gz FMYRBDNFRSIKGQ-VYDXJSESSA-N 2 1 349.544 3.120 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)s1 ZINC000796315180 1309964080 /nfs/dbraw/zinc/96/40/80/1309964080.db2.gz GLCARBUMEAZCJU-UHFFFAOYSA-N 3 1 336.549 3.091 20 0 EGADMP C[C@@]1(C[NH2+]Cc2cnc3ccccn23)CC[N@@H+](Cc2ccccc2)C1 ZINC000798499509 1310373335 /nfs/dbraw/zinc/37/33/35/1310373335.db2.gz XQSPCRFYEUSXFL-NRFANRHFSA-N 2 1 334.467 3.336 20 0 EGADMP C[C@@]1(CNC2CC[NH+](CC3CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935247 1310460585 /nfs/dbraw/zinc/46/05/85/1310460585.db2.gz MEHXUBXJPPIIOQ-QFIPXVFZSA-N 2 1 341.543 3.363 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000799173228 1310498727 /nfs/dbraw/zinc/49/87/27/1310498727.db2.gz CKSQTINIGFMFRX-KRWDZBQOSA-N 2 1 344.421 3.027 20 0 EGADMP OCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000799349796 1310533943 /nfs/dbraw/zinc/53/39/43/1310533943.db2.gz KFXRDOIDIRKFDP-JOCHJYFZSA-N 2 1 338.495 3.234 20 0 EGADMP OCCc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000898171576 1310613206 /nfs/dbraw/zinc/61/32/06/1310613206.db2.gz XOPXTLJTHHAQHC-UHFFFAOYSA-N 2 1 338.495 3.018 20 0 EGADMP CN(C)c1cc[nH+]c(N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000800882379 1310826107 /nfs/dbraw/zinc/82/61/07/1310826107.db2.gz BDOJWADGYGRUTM-QGZVFWFLSA-N 2 1 339.487 3.255 20 0 EGADMP CN(C)c1cc[nH+]c(N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000800882379 1310826111 /nfs/dbraw/zinc/82/61/11/1310826111.db2.gz BDOJWADGYGRUTM-QGZVFWFLSA-N 2 1 339.487 3.255 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857261709 1328525615 /nfs/dbraw/zinc/52/56/15/1328525615.db2.gz XYBAFMMXIKYLNF-XLIONFOSSA-N 2 1 345.531 3.346 20 0 EGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857261709 1328525616 /nfs/dbraw/zinc/52/56/16/1328525616.db2.gz XYBAFMMXIKYLNF-XLIONFOSSA-N 2 1 345.531 3.346 20 0 EGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857261709 1328525617 /nfs/dbraw/zinc/52/56/17/1328525617.db2.gz XYBAFMMXIKYLNF-XLIONFOSSA-N 2 1 345.531 3.346 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000929399653 1328588194 /nfs/dbraw/zinc/58/81/94/1328588194.db2.gz RKPWFXWOKVRQNF-QGZVFWFLSA-N 2 1 347.503 3.260 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001019068928 1317031834 /nfs/dbraw/zinc/03/18/34/1317031834.db2.gz UNFDCSLJHYLQES-KRWDZBQOSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001019076302 1317035611 /nfs/dbraw/zinc/03/56/11/1317035611.db2.gz UVXPDDTVLBFNPS-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CCC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000899559286 1317090095 /nfs/dbraw/zinc/09/00/95/1317090095.db2.gz PRDMUCGGFPOWOR-IBGZPJMESA-N 2 1 347.547 3.260 20 0 EGADMP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000901291122 1317401172 /nfs/dbraw/zinc/40/11/72/1317401172.db2.gz FJRUDIBKNHCKKO-VQTJNVASSA-N 2 1 341.499 3.280 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC2(CC1)CC[NH+](CC)CC2 ZINC000957552206 1317448715 /nfs/dbraw/zinc/44/87/15/1317448715.db2.gz IWQPUOJAICPZRJ-KRWDZBQOSA-N 2 1 346.519 3.121 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC3(CC2)CC[NH+](C(C)C)CC3)C1 ZINC000957559465 1317457320 /nfs/dbraw/zinc/45/73/20/1317457320.db2.gz JOBXDEFRMPAFGH-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCc3nc(Cl)ccc32)C[C@H](C)O1 ZINC000806134290 1317463047 /nfs/dbraw/zinc/46/30/47/1317463047.db2.gz IOXHLQRXYYUOPF-IJEWVQPXSA-N 2 1 337.895 3.201 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000957603708 1317491554 /nfs/dbraw/zinc/49/15/54/1317491554.db2.gz VPVABFFEWKRIHC-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000957602808 1317491647 /nfs/dbraw/zinc/49/16/47/1317491647.db2.gz GDISBOYLKKHMAF-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)CC1 ZINC000957621056 1317501564 /nfs/dbraw/zinc/50/15/64/1317501564.db2.gz VPFATGDUPHBPGT-MOPGFXCFSA-N 2 1 347.547 3.118 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001020028773 1317508515 /nfs/dbraw/zinc/50/85/15/1317508515.db2.gz JIPDDNVXYCAXOF-BRSBDYLESA-N 2 1 349.906 3.122 20 0 EGADMP CC[NH+]1CCC2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)CC2)CC1 ZINC000957650710 1317522697 /nfs/dbraw/zinc/52/26/97/1317522697.db2.gz SHFLBCCMBKULRO-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP CNc1ccccc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000902105276 1317523859 /nfs/dbraw/zinc/52/38/59/1317523859.db2.gz VDIBVFOHDZNZLE-QGZVFWFLSA-N 2 1 339.483 3.239 20 0 EGADMP CNc1ccccc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000902105276 1317523862 /nfs/dbraw/zinc/52/38/62/1317523862.db2.gz VDIBVFOHDZNZLE-QGZVFWFLSA-N 2 1 339.483 3.239 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001020143978 1317559392 /nfs/dbraw/zinc/55/93/92/1317559392.db2.gz MKLWGMAIOUXQDR-FHWLQOOXSA-N 2 1 347.547 3.066 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001020143979 1317559741 /nfs/dbraw/zinc/55/97/41/1317559741.db2.gz MKLWGMAIOUXQDR-GUDVDZBRSA-N 2 1 347.547 3.066 20 0 EGADMP C[C@@]1(CN[C@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000902384676 1317571774 /nfs/dbraw/zinc/57/17/74/1317571774.db2.gz UNTKLSZPKFUZNX-FPOVZHCZSA-N 2 1 329.532 3.266 20 0 EGADMP C[C@@]1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000902384676 1317571778 /nfs/dbraw/zinc/57/17/78/1317571778.db2.gz UNTKLSZPKFUZNX-FPOVZHCZSA-N 3 1 329.532 3.266 20 0 EGADMP C[C@@]1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000902384676 1317571784 /nfs/dbraw/zinc/57/17/84/1317571784.db2.gz UNTKLSZPKFUZNX-FPOVZHCZSA-N 3 1 329.532 3.266 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)C1 ZINC000902396210 1317573052 /nfs/dbraw/zinc/57/30/52/1317573052.db2.gz JCQVTEHCNSXTNG-CABCVRRESA-N 2 1 330.394 3.107 20 0 EGADMP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CC1([NH3+])CC1 ZINC000902413841 1317575459 /nfs/dbraw/zinc/57/54/59/1317575459.db2.gz ORFLESLNQGJPJJ-GFCCVEGCSA-N 2 1 349.272 3.451 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(C)CC3)C2)C1 ZINC001020238092 1317604090 /nfs/dbraw/zinc/60/40/90/1317604090.db2.gz NOPLOBDTWVLAMB-WFAGLZIHSA-N 2 1 349.563 3.027 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000957772453 1317635366 /nfs/dbraw/zinc/63/53/66/1317635366.db2.gz CGJLKFZSVXKELT-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C(=O)CCC2(C)C)CC1 ZINC000808170335 1317637538 /nfs/dbraw/zinc/63/75/38/1317637538.db2.gz CYGVJRZBLVYYAP-KRWDZBQOSA-N 2 1 335.536 3.321 20 0 EGADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(F)c1 ZINC000903056668 1317643780 /nfs/dbraw/zinc/64/37/80/1317643780.db2.gz XMSIUZAYACXQJF-QZNYNHHHSA-N 2 1 331.479 3.176 20 0 EGADMP C[NH+](C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc(F)c1 ZINC000903056668 1317643783 /nfs/dbraw/zinc/64/37/83/1317643783.db2.gz XMSIUZAYACXQJF-QZNYNHHHSA-N 2 1 331.479 3.176 20 0 EGADMP C[NH+](C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(F)c1 ZINC000903056668 1317643786 /nfs/dbraw/zinc/64/37/86/1317643786.db2.gz XMSIUZAYACXQJF-QZNYNHHHSA-N 2 1 331.479 3.176 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000957782852 1317644694 /nfs/dbraw/zinc/64/46/94/1317644694.db2.gz WLKOVJMLVQWPMN-VQTJNVASSA-N 2 1 343.515 3.156 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000957782852 1317644699 /nfs/dbraw/zinc/64/46/99/1317644699.db2.gz WLKOVJMLVQWPMN-VQTJNVASSA-N 2 1 343.515 3.156 20 0 EGADMP Cc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[NH+](C)C)cc1 ZINC000903084031 1317649383 /nfs/dbraw/zinc/64/93/83/1317649383.db2.gz TWXKBQSIKFUIJN-KRIYCRJKSA-N 2 1 327.516 3.345 20 0 EGADMP Cc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)N(C)C)cc1 ZINC000903084031 1317649387 /nfs/dbraw/zinc/64/93/87/1317649387.db2.gz TWXKBQSIKFUIJN-KRIYCRJKSA-N 2 1 327.516 3.345 20 0 EGADMP Cc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)N(C)C)cc1 ZINC000903084031 1317649392 /nfs/dbraw/zinc/64/93/92/1317649392.db2.gz TWXKBQSIKFUIJN-KRIYCRJKSA-N 2 1 327.516 3.345 20 0 EGADMP CC(C)(C)OC(=O)NC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CC1 ZINC000903099456 1317653274 /nfs/dbraw/zinc/65/32/74/1317653274.db2.gz IDOLQPOVZLKVMP-ONQFOCNCSA-N 2 1 349.519 3.037 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)C2 ZINC000903114790 1317655732 /nfs/dbraw/zinc/65/57/32/1317655732.db2.gz HCIMNGAFWXBVLR-NUCKYSLFSA-N 2 1 348.453 3.177 20 0 EGADMP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000903119870 1317657110 /nfs/dbraw/zinc/65/71/10/1317657110.db2.gz UKNDAXXSAXNXOR-MAWREPJSSA-N 2 1 346.515 3.216 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C2 ZINC000903118464 1317657642 /nfs/dbraw/zinc/65/76/42/1317657642.db2.gz PIADQRRRJSRXAJ-RNEPCJONSA-N 2 1 338.442 3.095 20 0 EGADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(Cl)c(F)c1 ZINC000903128807 1317659618 /nfs/dbraw/zinc/65/96/18/1317659618.db2.gz BNQJALORQXZVFX-SDJXIENJSA-N 2 1 338.854 3.260 20 0 EGADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cc(F)cc(Cl)c1 ZINC000903158400 1317665255 /nfs/dbraw/zinc/66/52/55/1317665255.db2.gz IUJFDDKRBUXIAA-ONQFOCNCSA-N 2 1 338.854 3.260 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1OCCc2sccc21 ZINC000903174500 1317669081 /nfs/dbraw/zinc/66/90/81/1317669081.db2.gz KLRJYDHLIROOHY-DRTUSYBTSA-N 2 1 332.513 3.498 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000903201256 1317674129 /nfs/dbraw/zinc/67/41/29/1317674129.db2.gz HCGOGNFPCUUUFE-UWJYYQICSA-N 2 1 338.499 3.148 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CCO)cc1 ZINC000903396187 1317695368 /nfs/dbraw/zinc/69/53/68/1317695368.db2.gz KJTVVJGJPMLSDN-AVRDEDQJSA-N 2 1 338.495 3.222 20 0 EGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000808731960 1317725455 /nfs/dbraw/zinc/72/54/55/1317725455.db2.gz DWAUAXLWUXNAQP-DLBZAZTESA-N 2 1 341.540 3.486 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000808731960 1317725459 /nfs/dbraw/zinc/72/54/59/1317725459.db2.gz DWAUAXLWUXNAQP-DLBZAZTESA-N 2 1 341.540 3.486 20 0 EGADMP COc1ccccc1[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729399 1317726955 /nfs/dbraw/zinc/72/69/55/1317726955.db2.gz MEGMHWFJGTWZED-HKUYNNGSSA-N 2 1 344.499 3.381 20 0 EGADMP [NH3+][C@@H](C[NH2+]Cc1cccc(COCc2ccccc2)c1)CC(F)F ZINC000903920667 1317748493 /nfs/dbraw/zinc/74/84/93/1317748493.db2.gz KRNCFFICEIQZJF-GOSISDBHSA-N 2 1 334.410 3.476 20 0 EGADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904322757 1317829493 /nfs/dbraw/zinc/82/94/93/1317829493.db2.gz JGAVRFBJMGMRLV-FQEVSTJZSA-N 2 1 330.520 3.010 20 0 EGADMP CCN(Cc1ncc(C[NH+](C)C)s1)C[C@H](O)c1ccc(C)cc1 ZINC000809581527 1317837000 /nfs/dbraw/zinc/83/70/00/1317837000.db2.gz LYZHRGYYJPCZKK-KRWDZBQOSA-N 2 1 333.501 3.069 20 0 EGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000904405360 1317843307 /nfs/dbraw/zinc/84/33/07/1317843307.db2.gz LMQRMBOVNSUYQI-GFCCVEGCSA-N 2 1 338.377 3.266 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)ccc1OCc1ccccc1 ZINC000904404694 1317843526 /nfs/dbraw/zinc/84/35/26/1317843526.db2.gz CWQRVHKDHZRLGL-KRWDZBQOSA-N 2 1 340.467 3.445 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000809611459 1317843736 /nfs/dbraw/zinc/84/37/36/1317843736.db2.gz CXIHEZCSTWQCHG-INIZCTEOSA-N 2 1 341.540 3.344 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001020675854 1317852103 /nfs/dbraw/zinc/85/21/03/1317852103.db2.gz HVUJCFGIVKKFKF-UFYCRDLUSA-N 2 1 347.547 3.377 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001020675868 1317852152 /nfs/dbraw/zinc/85/21/52/1317852152.db2.gz IODDPIUMNCEKFW-GUDVDZBRSA-N 2 1 335.536 3.066 20 0 EGADMP Fc1cc(F)c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000904475735 1317852650 /nfs/dbraw/zinc/85/26/50/1317852650.db2.gz QLIHPZNSFIDOAO-PKOBYXMFSA-N 2 1 348.368 3.449 20 0 EGADMP CCN(C)c1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000809739158 1317885149 /nfs/dbraw/zinc/88/51/49/1317885149.db2.gz ZHQJRZPJVPOLRC-UHFFFAOYSA-N 2 1 326.488 3.231 20 0 EGADMP CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739365 1317885843 /nfs/dbraw/zinc/88/58/43/1317885843.db2.gz IRXXBDVOSJBGFP-UHFFFAOYSA-N 2 1 335.492 3.095 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)nc2)CC1 ZINC000810207836 1317976001 /nfs/dbraw/zinc/97/60/01/1317976001.db2.gz PNQMPLBHQGTXBK-LBPRGKRZSA-N 2 1 326.282 3.369 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001020906707 1317992057 /nfs/dbraw/zinc/99/20/57/1317992057.db2.gz IQVLGDPTHVSALZ-FHWLQOOXSA-N 2 1 335.536 3.068 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001020907143 1317992423 /nfs/dbraw/zinc/99/24/23/1317992423.db2.gz TZDODFIZAFAIQW-UFYCRDLUSA-N 2 1 347.547 3.378 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001020908666 1317993421 /nfs/dbraw/zinc/99/34/21/1317993421.db2.gz HPGKLEYUVWKHOA-GUDVDZBRSA-N 2 1 349.563 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000906927718 1318164566 /nfs/dbraw/zinc/16/45/66/1318164566.db2.gz GHAVVGLEIGSERC-VIQWUECVSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)c1cc2c[nH]ccc-2n1 ZINC001021299620 1318177256 /nfs/dbraw/zinc/17/72/56/1318177256.db2.gz PTTXCGDLOKGVMB-ALOPSCKCSA-N 2 1 338.455 3.088 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000811516631 1318194799 /nfs/dbraw/zinc/19/47/99/1318194799.db2.gz ZMAYTSFHQPTEQZ-BBWFWOEESA-N 2 1 341.540 3.483 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000811516631 1318194802 /nfs/dbraw/zinc/19/48/02/1318194802.db2.gz ZMAYTSFHQPTEQZ-BBWFWOEESA-N 2 1 341.540 3.483 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCCC2)C1 ZINC001021376790 1318221292 /nfs/dbraw/zinc/22/12/92/1318221292.db2.gz DHXWUHJNBUFJNL-YQQQUEKLSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCCC2)C1 ZINC001021376790 1318221299 /nfs/dbraw/zinc/22/12/99/1318221299.db2.gz DHXWUHJNBUFJNL-YQQQUEKLSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCC2)C1 ZINC001021376790 1318221308 /nfs/dbraw/zinc/22/13/08/1318221308.db2.gz DHXWUHJNBUFJNL-YQQQUEKLSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC000960007176 1318309153 /nfs/dbraw/zinc/30/91/53/1318309153.db2.gz LWRKOIJWONKHEY-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CCCC2)C1 ZINC000960098225 1318354252 /nfs/dbraw/zinc/35/42/52/1318354252.db2.gz BDODJNMEUSHOHK-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@@H](CNc2cc[nH+]c(CO)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000858461379 1328768553 /nfs/dbraw/zinc/76/85/53/1328768553.db2.gz SDBCFKGMBSCOCJ-SCLBCKFNSA-N 2 1 349.837 3.471 20 0 EGADMP CC[N@H+]1CCCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)[C@@H](C)C1 ZINC000910281984 1318595494 /nfs/dbraw/zinc/59/54/94/1318595494.db2.gz OQSPASWFQJIKNY-HNNXBMFYSA-N 2 1 343.471 3.051 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[NH+](CC)C[C@@H]2C)cc1)C(C)C ZINC000910289195 1318599157 /nfs/dbraw/zinc/59/91/57/1318599157.db2.gz QLAQIARODCDQCJ-SFHVURJKSA-N 2 1 345.531 3.473 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@H+](CC)C[C@@H]2C)cc1)C(C)C ZINC000910289195 1318599165 /nfs/dbraw/zinc/59/91/65/1318599165.db2.gz QLAQIARODCDQCJ-SFHVURJKSA-N 2 1 345.531 3.473 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@@H+](CC)C[C@@H]2C)cc1)C(C)C ZINC000910289195 1318599175 /nfs/dbraw/zinc/59/91/75/1318599175.db2.gz QLAQIARODCDQCJ-SFHVURJKSA-N 2 1 345.531 3.473 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)Cc1ccsc1 ZINC000960630646 1318755546 /nfs/dbraw/zinc/75/55/46/1318755546.db2.gz XKGFUGNXQATEEX-ZWKOTPCHSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccsc1 ZINC000960630646 1318755550 /nfs/dbraw/zinc/75/55/50/1318755550.db2.gz XKGFUGNXQATEEX-ZWKOTPCHSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccsc1 ZINC000960630646 1318755557 /nfs/dbraw/zinc/75/55/57/1318755557.db2.gz XKGFUGNXQATEEX-ZWKOTPCHSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001022069615 1318787313 /nfs/dbraw/zinc/78/73/13/1318787313.db2.gz MKLWGMAIOUXQDR-OTWHNJEPSA-N 2 1 347.547 3.066 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]1C[NH+](C)CC1CCCC1 ZINC000960687264 1318792934 /nfs/dbraw/zinc/79/29/34/1318792934.db2.gz ZKOFKMQANSQIJN-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1 ZINC000960687264 1318792938 /nfs/dbraw/zinc/79/29/38/1318792938.db2.gz ZKOFKMQANSQIJN-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC000960687264 1318792943 /nfs/dbraw/zinc/79/29/43/1318792943.db2.gz ZKOFKMQANSQIJN-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CCc1ccccc1C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC000960717959 1318827157 /nfs/dbraw/zinc/82/71/57/1318827157.db2.gz NCVVUJRTJUQZSL-VQTJNVASSA-N 2 1 345.531 3.012 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001022279332 1318871763 /nfs/dbraw/zinc/87/17/63/1318871763.db2.gz WHQPUYDHQBUYCI-YRPNKDGESA-N 2 1 345.531 3.131 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccccc1Cl ZINC001022291369 1318880981 /nfs/dbraw/zinc/88/09/81/1318880981.db2.gz YKHRHIYYNQAUFJ-AFIMGQEJSA-N 2 1 349.906 3.122 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC000960829399 1318957010 /nfs/dbraw/zinc/95/70/10/1318957010.db2.gz MAGAVOQOQHUKBP-GOSISDBHSA-N 2 1 347.503 3.068 20 0 EGADMP CC1CCC(C[N@@H+](C)C[C@H]2CCCN2C(=O)C2CC[NH+](C)CC2)CC1 ZINC000960830095 1318958151 /nfs/dbraw/zinc/95/81/51/1318958151.db2.gz AAORYDNOJVJJNO-AFMYVXGZSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000960862704 1319009166 /nfs/dbraw/zinc/00/91/66/1319009166.db2.gz KWCALLMGEVOUCJ-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000960862704 1319009168 /nfs/dbraw/zinc/00/91/68/1319009168.db2.gz KWCALLMGEVOUCJ-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000960862704 1319009173 /nfs/dbraw/zinc/00/91/73/1319009173.db2.gz KWCALLMGEVOUCJ-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCC1 ZINC000960903857 1319046912 /nfs/dbraw/zinc/04/69/12/1319046912.db2.gz DPBVGOATVJJHGJ-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1 ZINC000960903857 1319046921 /nfs/dbraw/zinc/04/69/21/1319046921.db2.gz DPBVGOATVJJHGJ-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC000960903857 1319046930 /nfs/dbraw/zinc/04/69/30/1319046930.db2.gz DPBVGOATVJJHGJ-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)c1ccccc1Cl ZINC001022712668 1319079474 /nfs/dbraw/zinc/07/94/74/1319079474.db2.gz XFDWZCNGBFLXON-QXSJWSMHSA-N 2 1 349.906 3.122 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001022807251 1319119003 /nfs/dbraw/zinc/11/90/03/1319119003.db2.gz GGTMVVKUVBHWHB-CEXWTWQISA-N 2 1 347.547 3.066 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1)c1ccccc1 ZINC001023128917 1319276690 /nfs/dbraw/zinc/27/66/90/1319276690.db2.gz YPFMMOCRYOURDG-YRPNKDGESA-N 2 1 343.515 3.249 20 0 EGADMP CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961270628 1319421240 /nfs/dbraw/zinc/42/12/40/1319421240.db2.gz LOGWRIBXNDEPIG-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000915097943 1319422162 /nfs/dbraw/zinc/42/21/62/1319422162.db2.gz LZLBITAFIXTJFQ-MOPGFXCFSA-N 2 1 347.547 3.260 20 0 EGADMP C[C@H]([NH2+]CCc1ccc(Br)cc1F)c1c[nH+]ccc1N ZINC000817902246 1319454572 /nfs/dbraw/zinc/45/45/72/1319454572.db2.gz LRRLFIMCXVJNNC-JTQLQIEISA-N 2 1 338.224 3.289 20 0 EGADMP O=C1CCCN1c1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000817897191 1319454585 /nfs/dbraw/zinc/45/45/85/1319454585.db2.gz GVKYITWDVHOSFD-CTNGQTDRSA-N 2 1 349.478 3.396 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)c1c[nH+]ccc1N ZINC000817896607 1319455488 /nfs/dbraw/zinc/45/54/88/1319455488.db2.gz LWLBYAIPNMMYJB-PSLIRLAXSA-N 2 1 326.227 3.185 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000817962858 1319479202 /nfs/dbraw/zinc/47/92/02/1319479202.db2.gz MDEMGOZTELATLT-MAUKXSAKSA-N 2 1 330.476 3.108 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1C[NH+]1CCCCC1 ZINC000817964879 1319479419 /nfs/dbraw/zinc/47/94/19/1319479419.db2.gz IICCKQCCCRWPLE-BEFAXECRSA-N 3 1 331.504 3.069 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CCCC3CCCC3)C2)CC[N@H+]1C ZINC001023377402 1319485466 /nfs/dbraw/zinc/48/54/66/1319485466.db2.gz KVIVQIHJZFXKMZ-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001023377402 1319485472 /nfs/dbraw/zinc/48/54/72/1319485472.db2.gz KVIVQIHJZFXKMZ-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001023377402 1319485475 /nfs/dbraw/zinc/48/54/75/1319485475.db2.gz KVIVQIHJZFXKMZ-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CCC3CCCCC3)C2)CC[N@H+]1C ZINC001023377317 1319486026 /nfs/dbraw/zinc/48/60/26/1319486026.db2.gz JRTPIGGXWYUCBC-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001023377317 1319486030 /nfs/dbraw/zinc/48/60/30/1319486030.db2.gz JRTPIGGXWYUCBC-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001023377317 1319486033 /nfs/dbraw/zinc/48/60/33/1319486033.db2.gz JRTPIGGXWYUCBC-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961366543 1319521954 /nfs/dbraw/zinc/52/19/54/1319521954.db2.gz IPOUEKGSWJOHPX-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000961366543 1319521964 /nfs/dbraw/zinc/52/19/64/1319521964.db2.gz IPOUEKGSWJOHPX-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000961366543 1319521969 /nfs/dbraw/zinc/52/19/69/1319521969.db2.gz IPOUEKGSWJOHPX-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CCC3)C2)CC1)[NH+](C)C ZINC000961377408 1319534884 /nfs/dbraw/zinc/53/48/84/1319534884.db2.gz HPQRYBGOPDNNMZ-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961380168 1319538344 /nfs/dbraw/zinc/53/83/44/1319538344.db2.gz ZELJARJMKKCKTN-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000818959421 1319590701 /nfs/dbraw/zinc/59/07/01/1319590701.db2.gz JRUIRYGEZYBYLY-KBXCAEBGSA-N 2 1 326.431 3.100 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000818959308 1319590744 /nfs/dbraw/zinc/59/07/44/1319590744.db2.gz HWRLTKRJQDCZEW-RDTXWAMCSA-N 2 1 326.431 3.242 20 0 EGADMP O[C@H](C[NH2+][C@H]1CCN2CCCC[C@H]12)c1ccc(Cl)cc1Cl ZINC000818959674 1319590820 /nfs/dbraw/zinc/59/08/20/1319590820.db2.gz QLUNYLQGKWZTDN-ARFHVFGLSA-N 2 1 329.271 3.243 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000819367021 1319711754 /nfs/dbraw/zinc/71/17/54/1319711754.db2.gz VLMSTFBXOYDYKF-XJKSGUPXSA-N 2 1 330.394 3.060 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023761839 1319908719 /nfs/dbraw/zinc/90/87/19/1319908719.db2.gz KMABBJYAVPHCPT-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001023761839 1319908724 /nfs/dbraw/zinc/90/87/24/1319908724.db2.gz KMABBJYAVPHCPT-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001023761839 1319908727 /nfs/dbraw/zinc/90/87/27/1319908727.db2.gz KMABBJYAVPHCPT-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1 ZINC000821982887 1320044870 /nfs/dbraw/zinc/04/48/70/1320044870.db2.gz NLUGOZDHSQYELE-JKSUJKDBSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000930545561 1328891857 /nfs/dbraw/zinc/89/18/57/1328891857.db2.gz NVKLPEAFJNRPMS-DLBZAZTESA-N 2 1 347.503 3.116 20 0 EGADMP Clc1cccc([C@@H]2CC[C@H]([NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)c1 ZINC000840723373 1321135184 /nfs/dbraw/zinc/13/51/84/1321135184.db2.gz WYYBXOBBVYBWFW-XGXHKWSGSA-N 2 1 334.891 3.429 20 0 EGADMP Clc1cccc([C@@H]2CC[C@H]([NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)c1 ZINC000840723373 1321135190 /nfs/dbraw/zinc/13/51/90/1321135190.db2.gz WYYBXOBBVYBWFW-XGXHKWSGSA-N 2 1 334.891 3.429 20 0 EGADMP C[C@@H]1C[C@@H](C[N@@H+]2CCc3cc(Br)cc(F)c3C2)CC[NH2+]1 ZINC000841021554 1321202139 /nfs/dbraw/zinc/20/21/39/1321202139.db2.gz XVMBQWKKLKYZBY-NEPJUHHUSA-N 2 1 341.268 3.334 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3cc(Br)cc(F)c3C2)CC[NH2+]1 ZINC000841021554 1321202145 /nfs/dbraw/zinc/20/21/45/1321202145.db2.gz XVMBQWKKLKYZBY-NEPJUHHUSA-N 2 1 341.268 3.334 20 0 EGADMP CC(C)COC(=O)N1CCC([NH2+]CC[NH2+]C2CCCCCC2)CC1 ZINC000841029541 1321203162 /nfs/dbraw/zinc/20/31/62/1321203162.db2.gz WBSHWGUOFPELER-UHFFFAOYSA-N 2 1 339.524 3.145 20 0 EGADMP COC(=O)c1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(F)c1 ZINC000859212640 1328947437 /nfs/dbraw/zinc/94/74/37/1328947437.db2.gz MEEPLGPGHZJSNR-UHFFFAOYSA-N 2 1 344.430 3.306 20 0 EGADMP COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(F)c1 ZINC000859212640 1328947440 /nfs/dbraw/zinc/94/74/40/1328947440.db2.gz MEEPLGPGHZJSNR-UHFFFAOYSA-N 2 1 344.430 3.306 20 0 EGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000842471949 1321392242 /nfs/dbraw/zinc/39/22/42/1321392242.db2.gz IQGXUWQVGGBGPL-SFHVURJKSA-N 2 1 331.504 3.038 20 0 EGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(Cl)nc(Cl)c3)CC2)C1 ZINC000842478655 1321394602 /nfs/dbraw/zinc/39/46/02/1321394602.db2.gz JEEFYXYMKQDLNX-KGLIPLIRSA-N 2 1 344.286 3.107 20 0 EGADMP C[N@@H+](Cc1cccc(OCc2ccccn2)c1)C1CCC([NH3+])CC1 ZINC000843055955 1321462784 /nfs/dbraw/zinc/46/27/84/1321462784.db2.gz SSRBGMLLOJPPHW-UHFFFAOYSA-N 2 1 325.456 3.362 20 0 EGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000843058593 1321464127 /nfs/dbraw/zinc/46/41/27/1321464127.db2.gz WFEXOYGBYRUIGE-QGTPRVQTSA-N 2 1 344.890 3.393 20 0 EGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000843058593 1321464133 /nfs/dbraw/zinc/46/41/33/1321464133.db2.gz WFEXOYGBYRUIGE-QGTPRVQTSA-N 2 1 344.890 3.393 20 0 EGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000843058591 1321464176 /nfs/dbraw/zinc/46/41/76/1321464176.db2.gz WFEXOYGBYRUIGE-BMGDILEWSA-N 2 1 344.890 3.393 20 0 EGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000843058591 1321464177 /nfs/dbraw/zinc/46/41/77/1321464177.db2.gz WFEXOYGBYRUIGE-BMGDILEWSA-N 2 1 344.890 3.393 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1SC(F)(F)F ZINC000843353193 1321504128 /nfs/dbraw/zinc/50/41/28/1321504128.db2.gz CWZFKBGYTPKCFY-CMPLNLGQSA-N 2 1 334.407 3.476 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1SC(F)(F)F ZINC000843353193 1321504134 /nfs/dbraw/zinc/50/41/34/1321504134.db2.gz CWZFKBGYTPKCFY-CMPLNLGQSA-N 2 1 334.407 3.476 20 0 EGADMP CC(C)C[C@H](NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000843353669 1321504891 /nfs/dbraw/zinc/50/48/91/1321504891.db2.gz IKWYIEXRTKJVAN-ACBHZAAOSA-N 2 1 331.504 3.092 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845926783 1321754739 /nfs/dbraw/zinc/75/47/39/1321754739.db2.gz RGVMTHZUECHTPK-CGZBRXJRSA-N 2 1 339.524 3.001 20 0 EGADMP ClC1(Cl)C[C@H]1CCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848555844 1321975559 /nfs/dbraw/zinc/97/55/59/1321975559.db2.gz GCHQBQSOOLZPME-UKRRQHHQSA-N 2 1 335.319 3.193 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(C(C)(C)C)cc1 ZINC000849057492 1322061591 /nfs/dbraw/zinc/06/15/91/1322061591.db2.gz XGQAYTARIOOCMO-GOSISDBHSA-N 2 1 330.520 3.125 20 0 EGADMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)C1 ZINC000849082483 1322071194 /nfs/dbraw/zinc/07/11/94/1322071194.db2.gz DENYCCBAGBISSY-GFCCVEGCSA-N 2 1 344.381 3.253 20 0 EGADMP Cc1cc(C)cc(NC(=[NH2+])NCC2([NH+](C)C)Cc3ccccc3C2)c1 ZINC000849098131 1322076962 /nfs/dbraw/zinc/07/69/62/1322076962.db2.gz CIRRTFBAAIHZPB-UHFFFAOYSA-N 2 1 336.483 3.339 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000849107232 1322081312 /nfs/dbraw/zinc/08/13/12/1322081312.db2.gz CJFVPHFQLLQISG-GFCCVEGCSA-N 2 1 344.381 3.252 20 0 EGADMP Cn1ccnc1C[C@H](NCc1cnn(C2CCC2)c1)c1ccccc1 ZINC000921799329 1322399347 /nfs/dbraw/zinc/39/93/47/1322399347.db2.gz FVLLCVYHBNLBRM-IBGZPJMESA-N 2 1 335.455 3.415 20 0 EGADMP CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000921982037 1322434425 /nfs/dbraw/zinc/43/44/25/1322434425.db2.gz ZVRFKRXEULTWJK-GUDVDZBRSA-N 2 1 334.529 3.017 20 0 EGADMP CCCc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1 ZINC000922389611 1322516097 /nfs/dbraw/zinc/51/60/97/1322516097.db2.gz UQKHCHIFLOULQQ-NCYKPQTJSA-N 2 1 330.516 3.208 20 0 EGADMP O[C@H](C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccc(F)cc1Cl ZINC000923361260 1322740906 /nfs/dbraw/zinc/74/09/06/1322740906.db2.gz HOIVIPBARUCXCX-QWQRMKEZSA-N 2 1 340.870 3.224 20 0 EGADMP FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923400722 1322745840 /nfs/dbraw/zinc/74/58/40/1322745840.db2.gz XYYMKZMQJKJMCX-CWRNSKLLSA-N 2 1 340.389 3.043 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1SC(F)(F)F ZINC000923480686 1322759854 /nfs/dbraw/zinc/75/98/54/1322759854.db2.gz BIRRNBDUGISETO-NSHDSACASA-N 2 1 334.407 3.478 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923486515 1322760872 /nfs/dbraw/zinc/76/08/72/1322760872.db2.gz RLGFHAQEVAKBHJ-GVDBMIGSSA-N 2 1 339.483 3.076 20 0 EGADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000923494236 1322762049 /nfs/dbraw/zinc/76/20/49/1322762049.db2.gz WPZBXHXEFDWICR-INIZCTEOSA-N 2 1 339.439 3.088 20 0 EGADMP Cc1ccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)c(F)c1 ZINC000923502794 1322763806 /nfs/dbraw/zinc/76/38/06/1322763806.db2.gz BCFBVQKILDWMMS-INIZCTEOSA-N 2 1 347.478 3.174 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000923518395 1322768497 /nfs/dbraw/zinc/76/84/97/1322768497.db2.gz DUEWVAQHDMFPIB-JKSUJKDBSA-N 2 1 342.874 3.147 20 0 EGADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000923518395 1322768507 /nfs/dbraw/zinc/76/85/07/1322768507.db2.gz DUEWVAQHDMFPIB-JKSUJKDBSA-N 2 1 342.874 3.147 20 0 EGADMP C[C@]1(Cc2cc(Cl)cs2)CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000923532022 1322770141 /nfs/dbraw/zinc/77/01/41/1322770141.db2.gz XLNFDIOGOZFMOU-GOEBONIOSA-N 2 1 340.920 3.320 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000923887364 1322836689 /nfs/dbraw/zinc/83/66/89/1322836689.db2.gz VWDHJXVKDJULNT-INIZCTEOSA-N 2 1 344.459 3.222 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC3=CCCCC3)C2)CC[N@H+]1C ZINC001023995489 1323067888 /nfs/dbraw/zinc/06/78/88/1323067888.db2.gz NKZPZIZRHBTJHL-SLFFLAALSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1CN1CCSCC1 ZINC000931171502 1329066233 /nfs/dbraw/zinc/06/62/33/1329066233.db2.gz IUANDABWMKRZLN-SFHVURJKSA-N 2 1 347.528 3.047 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000931171502 1329066243 /nfs/dbraw/zinc/06/62/43/1329066243.db2.gz IUANDABWMKRZLN-SFHVURJKSA-N 2 1 347.528 3.047 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)c2ccccn2)CC1 ZINC000851813588 1323097428 /nfs/dbraw/zinc/09/74/28/1323097428.db2.gz UXOXRZVUYXKBBF-YLJYHZDGSA-N 2 1 331.504 3.092 20 0 EGADMP CON1CCC([NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000924670677 1323104980 /nfs/dbraw/zinc/10/49/80/1323104980.db2.gz LSHKNZMYXOHYDT-KRWDZBQOSA-N 2 1 331.504 3.176 20 0 EGADMP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000924673832 1323105751 /nfs/dbraw/zinc/10/57/51/1323105751.db2.gz YSSAKSKTSATWIH-MBOZVWFJSA-N 2 1 343.515 3.208 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000924684131 1323111802 /nfs/dbraw/zinc/11/18/02/1323111802.db2.gz BYDRTPTXXSUCLI-MSOLQXFVSA-N 2 1 341.503 3.430 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)C1 ZINC000924684664 1323112417 /nfs/dbraw/zinc/11/24/17/1323112417.db2.gz MDPWFXKSQDCNIU-KOUHRCEDSA-N 2 1 346.563 3.479 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc[nH]c(=O)c1 ZINC000924874370 1323196123 /nfs/dbraw/zinc/19/61/23/1323196123.db2.gz PSZVUOAGQWXCDK-CABCVRRESA-N 2 1 331.485 3.412 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc[nH]c(=O)c1 ZINC000924874370 1323196132 /nfs/dbraw/zinc/19/61/32/1323196132.db2.gz PSZVUOAGQWXCDK-CABCVRRESA-N 2 1 331.485 3.412 20 0 EGADMP C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852708491 1323230182 /nfs/dbraw/zinc/23/01/82/1323230182.db2.gz CCSUYHFIFRCCMU-CXAGYDPISA-N 2 1 342.405 3.297 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001024278526 1323257305 /nfs/dbraw/zinc/25/73/05/1323257305.db2.gz PVIPBHMRSUAQAS-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000925056979 1323259414 /nfs/dbraw/zinc/25/94/14/1323259414.db2.gz MFTYUPVYAGHNFO-CQSZACIVSA-N 2 1 330.476 3.430 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)c1OC ZINC000853092716 1323278823 /nfs/dbraw/zinc/27/88/23/1323278823.db2.gz JKPXPKWIGRKBNI-KRWDZBQOSA-N 2 1 332.488 3.224 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC(CC)CC ZINC001024469714 1323425435 /nfs/dbraw/zinc/42/54/35/1323425435.db2.gz VZOPDYZDOMHSGD-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(CC)CC ZINC001024469714 1323425440 /nfs/dbraw/zinc/42/54/40/1323425440.db2.gz VZOPDYZDOMHSGD-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC(CC)CC ZINC001024469714 1323425444 /nfs/dbraw/zinc/42/54/44/1323425444.db2.gz VZOPDYZDOMHSGD-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CC2(CCC2)C1 ZINC001024514421 1323465606 /nfs/dbraw/zinc/46/56/06/1323465606.db2.gz ZEXOWCCEUJNGAW-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001024514421 1323465609 /nfs/dbraw/zinc/46/56/09/1323465609.db2.gz ZEXOWCCEUJNGAW-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC2(CCC2)C1 ZINC001024514421 1323465615 /nfs/dbraw/zinc/46/56/15/1323465615.db2.gz ZEXOWCCEUJNGAW-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCC(C)C)C1 ZINC001024614052 1323542144 /nfs/dbraw/zinc/54/21/44/1323542144.db2.gz FOVCXCLDZKZEOI-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCC(C)C)C1 ZINC001024614052 1323542147 /nfs/dbraw/zinc/54/21/47/1323542147.db2.gz FOVCXCLDZKZEOI-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCC(C)C)C1 ZINC001024614052 1323542153 /nfs/dbraw/zinc/54/21/53/1323542153.db2.gz FOVCXCLDZKZEOI-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024620259 1323548273 /nfs/dbraw/zinc/54/82/73/1323548273.db2.gz PNZFNAWMXLNJBC-WDSOQIARSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001024620259 1323548277 /nfs/dbraw/zinc/54/82/77/1323548277.db2.gz PNZFNAWMXLNJBC-WDSOQIARSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001024620259 1323548280 /nfs/dbraw/zinc/54/82/80/1323548280.db2.gz PNZFNAWMXLNJBC-WDSOQIARSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024712263 1323618943 /nfs/dbraw/zinc/61/89/43/1323618943.db2.gz RXCVJKVRLFHXLI-HXUWFJFHSA-N 2 1 343.515 3.299 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCC1 ZINC001024813705 1323715438 /nfs/dbraw/zinc/71/54/38/1323715438.db2.gz FCGMCEPYNFIKRC-IBGZPJMESA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001024959034 1323800917 /nfs/dbraw/zinc/80/09/17/1323800917.db2.gz JLZDHJIGPDDHKC-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001025103440 1323897379 /nfs/dbraw/zinc/89/73/79/1323897379.db2.gz UTOMTWMHRALDTL-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001025168429 1323936789 /nfs/dbraw/zinc/93/67/89/1323936789.db2.gz DLPMVQVSARGAOA-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001025168404 1323937181 /nfs/dbraw/zinc/93/71/81/1323937181.db2.gz BZXAJFGOVQIXOY-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025247423 1324047602 /nfs/dbraw/zinc/04/76/02/1324047602.db2.gz KUMQADQOASHNEK-RTBURBONSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025461288 1324306680 /nfs/dbraw/zinc/30/66/80/1324306680.db2.gz RWCJXJVEUXOWIN-DOTOQJQBSA-N 2 1 342.487 3.273 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025529078 1324375997 /nfs/dbraw/zinc/37/59/97/1324375997.db2.gz YLGXKKUJVQPQMF-XLIONFOSSA-N 2 1 345.531 3.029 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC001025584528 1324426452 /nfs/dbraw/zinc/42/64/52/1324426452.db2.gz IRXDGAJPTSIQBG-XLIONFOSSA-N 2 1 349.563 3.124 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC001026464918 1324825403 /nfs/dbraw/zinc/82/54/03/1324825403.db2.gz AWMSRIHITUJADT-SOAGJPPSSA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001026492376 1324845613 /nfs/dbraw/zinc/84/56/13/1324845613.db2.gz KFSJGXBDGZGSCI-MHJFOBGBSA-N 2 1 349.563 3.457 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001026503192 1324853140 /nfs/dbraw/zinc/85/31/40/1324853140.db2.gz NGOOILFEEXBMSQ-MHJFOBGBSA-N 2 1 347.547 3.378 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CCC([NH2+]CCC3=CCCCC3)CC2)C1 ZINC001026561139 1324896362 /nfs/dbraw/zinc/89/63/62/1324896362.db2.gz PMGVVXJWBVZVNE-QHGAOEGBSA-N 2 1 347.547 3.236 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026569678 1324903627 /nfs/dbraw/zinc/90/36/27/1324903627.db2.gz CTSSJZCTPJBFJV-UHFFFAOYSA-N 2 1 346.519 3.214 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026897911 1325067385 /nfs/dbraw/zinc/06/73/85/1325067385.db2.gz WQGXAUMUZMNXQF-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001026920643 1325084458 /nfs/dbraw/zinc/08/44/58/1325084458.db2.gz GBQZATRUOJVAMT-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CCS[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)C1 ZINC000925219977 1325085047 /nfs/dbraw/zinc/08/50/47/1325085047.db2.gz YFDWMQZNEGCQBE-XWDNEUNKSA-N 2 1 326.550 3.282 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)C2CCC([NH2+]CC3CC(C)(C)C3)CC2)CC[N@H+]1C ZINC000963343969 1325135092 /nfs/dbraw/zinc/13/50/92/1325135092.db2.gz FMBRFYSIQSEKMI-JYPHPWERSA-N 2 1 349.563 3.122 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN[C@@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925522058 1325188123 /nfs/dbraw/zinc/18/81/23/1325188123.db2.gz QMQDWLVOGFMHHD-WOJBJXKFSA-N 2 1 327.516 3.163 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C2CCC([NH2+]CC3CCC3)CC2)C1 ZINC000963419083 1325228297 /nfs/dbraw/zinc/22/82/97/1325228297.db2.gz CDLIPVKDRXXCAD-HDYDNRTBSA-N 2 1 349.563 3.124 20 0 EGADMP Fc1cccc(-n2cccn2)c1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925687670 1325262075 /nfs/dbraw/zinc/26/20/75/1325262075.db2.gz LROUVGLRSOZOBM-QFBILLFUSA-N 2 1 342.462 3.269 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)C12CCC2 ZINC000925710514 1325267517 /nfs/dbraw/zinc/26/75/17/1325267517.db2.gz LPLGRAMXIPTODC-SJORKVTESA-N 2 1 327.403 3.373 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CCC4(CCOCC4)CO3)CC[NH2+]2)cc1 ZINC000925738794 1325276340 /nfs/dbraw/zinc/27/63/40/1325276340.db2.gz ZJXNOFMUSIKORU-AABGKKOBSA-N 2 1 344.499 3.045 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CCC4(CCOCC4)CO3)CC[NH2+]2)cc1 ZINC000925738796 1325277655 /nfs/dbraw/zinc/27/76/55/1325277655.db2.gz ZJXNOFMUSIKORU-UFYCRDLUSA-N 2 1 344.499 3.045 20 0 EGADMP C1CCC(OC2CCC([NH2+][C@@H]3C[NH2+]CC4(CCOCC4)C3)CC2)C1 ZINC000925795474 1325304493 /nfs/dbraw/zinc/30/44/93/1325304493.db2.gz YDDKYHCPGAERRQ-HFCFLWKCSA-N 2 1 336.520 3.005 20 0 EGADMP CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000963833623 1325405588 /nfs/dbraw/zinc/40/55/88/1325405588.db2.gz YGQVLTUIMQVVLR-TVPLGVNVSA-N 2 1 335.536 3.163 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cn(C)cn1 ZINC000926137299 1325444115 /nfs/dbraw/zinc/44/41/15/1325444115.db2.gz SPVHMQVPWYLWNQ-IJXRJRJASA-N 2 1 338.499 3.371 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cn(C)cn1 ZINC000926137299 1325444119 /nfs/dbraw/zinc/44/41/19/1325444119.db2.gz SPVHMQVPWYLWNQ-IJXRJRJASA-N 2 1 338.499 3.371 20 0 EGADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC000964184742 1325485709 /nfs/dbraw/zinc/48/57/09/1325485709.db2.gz ICVGYOVEYACCIR-HDYDNRTBSA-N 2 1 349.563 3.268 20 0 EGADMP FC(F)COCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926255464 1325492547 /nfs/dbraw/zinc/49/25/47/1325492547.db2.gz RKFUUYMTUNZMEA-AYHJJNSGSA-N 2 1 338.442 3.443 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857143999 1325580227 /nfs/dbraw/zinc/58/02/27/1325580227.db2.gz CVAXVNPHOZHAOX-WOJBJXKFSA-N 2 1 343.515 3.052 20 0 EGADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857143999 1325580229 /nfs/dbraw/zinc/58/02/29/1325580229.db2.gz CVAXVNPHOZHAOX-WOJBJXKFSA-N 2 1 343.515 3.052 20 0 EGADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857143999 1325580235 /nfs/dbraw/zinc/58/02/35/1325580235.db2.gz CVAXVNPHOZHAOX-WOJBJXKFSA-N 2 1 343.515 3.052 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001027440562 1327678042 /nfs/dbraw/zinc/67/80/42/1327678042.db2.gz IOMVGJNQKUBRSZ-MJGOQNOKSA-N 2 1 343.515 3.155 20 0 EGADMP C[N@@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027449412 1327691170 /nfs/dbraw/zinc/69/11/70/1327691170.db2.gz ZYVQMNVZACDCLF-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCC1)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001027449412 1327691180 /nfs/dbraw/zinc/69/11/80/1327691180.db2.gz ZYVQMNVZACDCLF-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCC1)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001027449412 1327691188 /nfs/dbraw/zinc/69/11/88/1327691188.db2.gz ZYVQMNVZACDCLF-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(C)ccc2C)C1)[NH+](C)C ZINC001027459996 1327703244 /nfs/dbraw/zinc/70/32/44/1327703244.db2.gz FKGNJCIROCVDQH-VQTJNVASSA-N 2 1 345.531 3.066 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCC2)C1 ZINC001027473640 1327730868 /nfs/dbraw/zinc/73/08/68/1327730868.db2.gz PQRLEJLGBIADPK-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC001027473640 1327730873 /nfs/dbraw/zinc/73/08/73/1327730873.db2.gz PQRLEJLGBIADPK-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027473640 1327730879 /nfs/dbraw/zinc/73/08/79/1327730879.db2.gz PQRLEJLGBIADPK-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCc1cccc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)c1 ZINC001027581968 1327916560 /nfs/dbraw/zinc/91/65/60/1327916560.db2.gz JGAIMPVVKMUFKN-UXHICEINSA-N 2 1 345.531 3.012 20 0 EGADMP C[N@@H+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681232 1328078882 /nfs/dbraw/zinc/07/88/82/1328078882.db2.gz RZIKYYAYOFXRGL-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)c1 ZINC001027682557 1328081173 /nfs/dbraw/zinc/08/11/73/1328081173.db2.gz RDZGIAGVLQZMMQ-ICSRJNTNSA-N 2 1 343.515 3.075 20 0 EGADMP CCCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966492624 1328322824 /nfs/dbraw/zinc/32/28/24/1328322824.db2.gz RWQNABOADOPRHD-GOEBONIOSA-N 2 1 337.533 3.050 20 0 EGADMP CCCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966492624 1328322831 /nfs/dbraw/zinc/32/28/31/1328322831.db2.gz RWQNABOADOPRHD-GOEBONIOSA-N 2 1 337.533 3.050 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001027879697 1328346429 /nfs/dbraw/zinc/34/64/29/1328346429.db2.gz WTKXPAFJXKPOJN-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001027879697 1328346437 /nfs/dbraw/zinc/34/64/37/1328346437.db2.gz WTKXPAFJXKPOJN-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC001027879697 1328346445 /nfs/dbraw/zinc/34/64/45/1328346445.db2.gz WTKXPAFJXKPOJN-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001027879136 1328346474 /nfs/dbraw/zinc/34/64/74/1328346474.db2.gz NOIWETQPLHGXRL-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001027879136 1328346482 /nfs/dbraw/zinc/34/64/82/1328346482.db2.gz NOIWETQPLHGXRL-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CC2(CCC2)C1 ZINC001027879136 1328346490 /nfs/dbraw/zinc/34/64/90/1328346490.db2.gz NOIWETQPLHGXRL-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCCC2CCCC2)CC[N@H+]1C ZINC001027893017 1328359308 /nfs/dbraw/zinc/35/93/08/1328359308.db2.gz KCDIOFZFBDYPTP-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCCC2CCCC2)CC[NH+]1C ZINC001027893017 1328359314 /nfs/dbraw/zinc/35/93/14/1328359314.db2.gz KCDIOFZFBDYPTP-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCCC2CCCC2)CC[NH+]1C ZINC001027893017 1328359319 /nfs/dbraw/zinc/35/93/19/1328359319.db2.gz KCDIOFZFBDYPTP-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCC(C)(C)CC1 ZINC001027971669 1328444421 /nfs/dbraw/zinc/44/44/21/1328444421.db2.gz JUUKBUMYYXXHHW-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001027971669 1328444426 /nfs/dbraw/zinc/44/44/26/1328444426.db2.gz JUUKBUMYYXXHHW-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCC(C)(C)CC1 ZINC001027971669 1328444430 /nfs/dbraw/zinc/44/44/30/1328444430.db2.gz JUUKBUMYYXXHHW-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028046088 1328512032 /nfs/dbraw/zinc/51/20/32/1328512032.db2.gz YJRILRWOVTUZCI-HKUYNNGSSA-N 2 1 345.531 3.031 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2cc(F)ccc2F)CC1 ZINC000865404175 1329692125 /nfs/dbraw/zinc/69/21/25/1329692125.db2.gz DVYOWCVAIMRIGN-UHFFFAOYSA-N 2 1 348.441 3.329 20 0 EGADMP CC(C)(C)Oc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000865457838 1329699885 /nfs/dbraw/zinc/69/98/85/1329699885.db2.gz UGUKVHWSWSOEMD-SFHVURJKSA-N 2 1 334.504 3.190 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932043722 1329781883 /nfs/dbraw/zinc/78/18/83/1329781883.db2.gz QZXDJTMFAVOXLH-LJQANCHMSA-N 2 1 344.499 3.305 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932043722 1329781884 /nfs/dbraw/zinc/78/18/84/1329781884.db2.gz QZXDJTMFAVOXLH-LJQANCHMSA-N 2 1 344.499 3.305 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932043722 1329781886 /nfs/dbraw/zinc/78/18/86/1329781886.db2.gz QZXDJTMFAVOXLH-LJQANCHMSA-N 2 1 344.499 3.305 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000866469425 1330116463 /nfs/dbraw/zinc/11/64/63/1330116463.db2.gz ICMKAPDLNPLSOG-RXVVDRJESA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000866469425 1330116464 /nfs/dbraw/zinc/11/64/64/1330116464.db2.gz ICMKAPDLNPLSOG-RXVVDRJESA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC000939137775 1330383844 /nfs/dbraw/zinc/38/38/44/1330383844.db2.gz NEHDGGDYIBZLKW-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942102347 1331831339 /nfs/dbraw/zinc/83/13/39/1331831339.db2.gz XQJMYHOYLHFTGQ-HOCLYGCPSA-N 2 1 337.533 3.050 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942558658 1331974003 /nfs/dbraw/zinc/97/40/03/1331974003.db2.gz ZMKGPKUAOXVCNR-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C[C@@H]2C)CC1 ZINC000943875008 1332286717 /nfs/dbraw/zinc/28/67/17/1332286717.db2.gz AJIYNJOPNKYNMA-FXAWDEMLSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H](C)CC)C[C@H]2CC1 ZINC000946615557 1332863376 /nfs/dbraw/zinc/86/33/76/1332863376.db2.gz NYEIHQUCBIVDCN-VNTMZGSJSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)CC)C[C@H]2CC1 ZINC000946615557 1332863382 /nfs/dbraw/zinc/86/33/82/1332863382.db2.gz NYEIHQUCBIVDCN-VNTMZGSJSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)CC)C[C@H]2CC1 ZINC000946615557 1332863384 /nfs/dbraw/zinc/86/33/84/1332863384.db2.gz NYEIHQUCBIVDCN-VNTMZGSJSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](C(C)C)C[C@H]2CC1 ZINC000946856919 1332917066 /nfs/dbraw/zinc/91/70/66/1332917066.db2.gz UIJYPSVZIWUFAI-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](C(C)C)C[C@H]2CC1 ZINC000946856919 1332917069 /nfs/dbraw/zinc/91/70/69/1332917069.db2.gz UIJYPSVZIWUFAI-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](C(C)C)C[C@H]2CC1 ZINC000946856919 1332917071 /nfs/dbraw/zinc/91/70/71/1332917071.db2.gz UIJYPSVZIWUFAI-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CC1CCCC1 ZINC000947309599 1333084025 /nfs/dbraw/zinc/08/40/25/1333084025.db2.gz GJYQXMWODTVOQG-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947310176 1333084503 /nfs/dbraw/zinc/08/45/03/1333084503.db2.gz MSGISMJWUFZVIG-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947309863 1333084647 /nfs/dbraw/zinc/08/46/47/1333084647.db2.gz IIXCNSLYPUFVRT-MSOLQXFVSA-N 2 1 335.536 3.186 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[N@H+](CCC(C)C)[C@H](C)C2)ccc2c[nH+]cn21 ZINC000947474564 1333142356 /nfs/dbraw/zinc/14/23/56/1333142356.db2.gz VWOAYEUZLKWJTN-WBVHZDCISA-N 2 1 342.487 3.272 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CC[N@@H+](CC3CCC3)[C@H](C)C2)ccc2c[nH+]cn21 ZINC000947474330 1333142524 /nfs/dbraw/zinc/14/25/24/1333142524.db2.gz RFIFEWXSJMEFTB-RHSMWYFYSA-N 2 1 340.471 3.026 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947493398 1333146184 /nfs/dbraw/zinc/14/61/84/1333146184.db2.gz RRLXWGCAAOLEEP-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CC1CCCCC1 ZINC000947725699 1333241437 /nfs/dbraw/zinc/24/14/37/1333241437.db2.gz BXBDVIDCZNEQMJ-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC1CCCCC1 ZINC000947725699 1333241439 /nfs/dbraw/zinc/24/14/39/1333241439.db2.gz BXBDVIDCZNEQMJ-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CC1CCCCC1 ZINC000947725699 1333241440 /nfs/dbraw/zinc/24/14/40/1333241440.db2.gz BXBDVIDCZNEQMJ-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947770864 1333255891 /nfs/dbraw/zinc/25/58/91/1333255891.db2.gz CNQQONHTPHEABY-AEFFLSMTSA-N 2 1 348.535 3.412 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947770864 1333255894 /nfs/dbraw/zinc/25/58/94/1333255894.db2.gz CNQQONHTPHEABY-AEFFLSMTSA-N 2 1 348.535 3.412 20 0 EGADMP C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCCC1CCC1 ZINC000947774786 1333257538 /nfs/dbraw/zinc/25/75/38/1333257538.db2.gz GKCNWSCTBPVYPM-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCCC1CCC1 ZINC000947774787 1333257831 /nfs/dbraw/zinc/25/78/31/1333257831.db2.gz GKCNWSCTBPVYPM-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCC1CCCC1 ZINC000947776644 1333258767 /nfs/dbraw/zinc/25/87/67/1333258767.db2.gz XSYGYETYOMVHJN-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1C/C=C\Cl ZINC000947799626 1333265075 /nfs/dbraw/zinc/26/50/75/1333265075.db2.gz CAZMCHZKWKLUEW-XNFDCWPSSA-N 2 1 349.906 3.083 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC1CCCCCC1 ZINC000947933966 1333311432 /nfs/dbraw/zinc/31/14/32/1333311432.db2.gz ILXJKXNNJRDQNQ-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948374971 1333501073 /nfs/dbraw/zinc/50/10/73/1333501073.db2.gz ZRRVXPMVXHKNCJ-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948434974 1333523761 /nfs/dbraw/zinc/52/37/61/1333523761.db2.gz HCRITCONWJENOD-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434974 1333523755 /nfs/dbraw/zinc/52/37/55/1333523755.db2.gz HCRITCONWJENOD-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948434974 1333523769 /nfs/dbraw/zinc/52/37/69/1333523769.db2.gz HCRITCONWJENOD-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439763 1333526381 /nfs/dbraw/zinc/52/63/81/1333526381.db2.gz VDYZSDFPIOJJMU-MJGOQNOKSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439763 1333526383 /nfs/dbraw/zinc/52/63/83/1333526383.db2.gz VDYZSDFPIOJJMU-MJGOQNOKSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439763 1333526384 /nfs/dbraw/zinc/52/63/84/1333526384.db2.gz VDYZSDFPIOJJMU-MJGOQNOKSA-N 2 1 335.536 3.116 20 0 EGADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000948554222 1333573244 /nfs/dbraw/zinc/57/32/44/1333573244.db2.gz SFLIIUWKLVGXIF-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC000948554222 1333573245 /nfs/dbraw/zinc/57/32/45/1333573245.db2.gz SFLIIUWKLVGXIF-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC000948554222 1333573247 /nfs/dbraw/zinc/57/32/47/1333573247.db2.gz SFLIIUWKLVGXIF-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620845 1333599799 /nfs/dbraw/zinc/59/97/99/1333599799.db2.gz JLWCLSCQTUITPX-FUHWJXTLSA-N 2 1 342.487 3.307 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948673647 1333623235 /nfs/dbraw/zinc/62/32/35/1333623235.db2.gz FFKNZSXUJKQFKQ-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726484 1333649048 /nfs/dbraw/zinc/64/90/48/1333649048.db2.gz SCNBJWDIZYLXGP-SFHVURJKSA-N 2 1 347.503 3.234 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000948755600 1333663369 /nfs/dbraw/zinc/66/33/69/1333663369.db2.gz FGUMUUDIPXIAGA-QUCCMNQESA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000948755600 1333663372 /nfs/dbraw/zinc/66/33/72/1333663372.db2.gz FGUMUUDIPXIAGA-QUCCMNQESA-N 2 1 343.515 3.155 20 0 EGADMP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[NH+](CC2=CCCCC2)CC1 ZINC000948755742 1333663554 /nfs/dbraw/zinc/66/35/54/1333663554.db2.gz KFNSWTZEFLIVCO-FQEVSTJZSA-N 2 1 345.531 3.038 20 0 EGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[NH+](CC2=CCCCC2)CC1 ZINC000948755742 1333663556 /nfs/dbraw/zinc/66/35/56/1333663556.db2.gz KFNSWTZEFLIVCO-FQEVSTJZSA-N 2 1 345.531 3.038 20 0 EGADMP CC1CC(C[N@H+]2CCC[C@@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000948769696 1333670471 /nfs/dbraw/zinc/67/04/71/1333670471.db2.gz CPHGDUBGRONTDE-CTWPCTMYSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[NH+]2CCC[C@@H](N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC000948769696 1333670475 /nfs/dbraw/zinc/67/04/75/1333670475.db2.gz CPHGDUBGRONTDE-CTWPCTMYSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[NH+]2CCC[C@@H](N(C)C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000948769696 1333670478 /nfs/dbraw/zinc/67/04/78/1333670478.db2.gz CPHGDUBGRONTDE-CTWPCTMYSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H](C(=O)N(C)[C@@H]1CCC[N@@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC000948829628 1333701615 /nfs/dbraw/zinc/70/16/15/1333701615.db2.gz SANNBRMJYZSQMD-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000948854209 1333710297 /nfs/dbraw/zinc/71/02/97/1333710297.db2.gz JTOXDAJMURGFIP-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000949043374 1333769902 /nfs/dbraw/zinc/76/99/02/1333769902.db2.gz SCJIEWMKIBNJGJ-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000949046746 1333770487 /nfs/dbraw/zinc/77/04/87/1333770487.db2.gz TUTSTPDCYCGMIL-ICSRJNTNSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000949046746 1333770488 /nfs/dbraw/zinc/77/04/88/1333770488.db2.gz TUTSTPDCYCGMIL-ICSRJNTNSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CC2CCC(C)CC2)C1 ZINC000950470233 1334076808 /nfs/dbraw/zinc/07/68/08/1334076808.db2.gz XWSITQZODOXTAP-QLOJAFMTSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1C[NH+](CCC(C)(C)C)C1 ZINC000950704802 1334118861 /nfs/dbraw/zinc/11/88/61/1334118861.db2.gz BZCGSRUUENILFE-SFHVURJKSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C1C[NH+](CCC2CCCC2)C1 ZINC000950707901 1334119397 /nfs/dbraw/zinc/11/93/97/1334119397.db2.gz CJZOQYGHCLYEFA-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000967265121 1335681630 /nfs/dbraw/zinc/68/16/30/1335681630.db2.gz SINBFNRFWAEWMP-CRAIPNDOSA-N 2 1 342.487 3.211 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968672960 1336005142 /nfs/dbraw/zinc/00/51/42/1336005142.db2.gz HQDCOLFJDGMLBF-YLJYHZDGSA-N 2 1 345.531 3.235 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCC1 ZINC000968849631 1336066675 /nfs/dbraw/zinc/06/66/75/1336066675.db2.gz BYCZRNRIOUYDOL-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCC1 ZINC000968849631 1336066680 /nfs/dbraw/zinc/06/66/80/1336066680.db2.gz BYCZRNRIOUYDOL-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCC1 ZINC000968849631 1336066682 /nfs/dbraw/zinc/06/66/82/1336066682.db2.gz BYCZRNRIOUYDOL-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936534 1336095565 /nfs/dbraw/zinc/09/55/65/1336095565.db2.gz KMNIVGUMJQCUFZ-QGZVFWFLSA-N 2 1 328.460 3.109 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC=C(C)C)C1 ZINC000968991131 1336112375 /nfs/dbraw/zinc/11/23/75/1336112375.db2.gz WAURNUSADDMREX-UXHICEINSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC=C(C)C)C1 ZINC000968991131 1336112377 /nfs/dbraw/zinc/11/23/77/1336112377.db2.gz WAURNUSADDMREX-UXHICEINSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC=C(C)C)C1 ZINC000968991131 1336112378 /nfs/dbraw/zinc/11/23/78/1336112378.db2.gz WAURNUSADDMREX-UXHICEINSA-N 2 1 349.563 3.435 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000969152423 1336163692 /nfs/dbraw/zinc/16/36/92/1336163692.db2.gz SDXJICBJLPMELN-GOSISDBHSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2=CCCCC2)C1 ZINC000969648091 1336233373 /nfs/dbraw/zinc/23/33/73/1336233373.db2.gz IUYJOVFVGDBANY-PXNSSMCTSA-N 2 1 347.547 3.186 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC000969675148 1336236054 /nfs/dbraw/zinc/23/60/54/1336236054.db2.gz POZYKSXBHFMEKN-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005502217 1336362942 /nfs/dbraw/zinc/36/29/42/1336362942.db2.gz AJHYLMNJXUVJJL-KRWDZBQOSA-N 2 1 346.519 3.120 20 0 EGADMP CN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CC[NH+](CC2CCCC2)CC1 ZINC001006120383 1336454815 /nfs/dbraw/zinc/45/48/15/1336454815.db2.gz QNHFUMZDFWRLTQ-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001006296510 1336485486 /nfs/dbraw/zinc/48/54/86/1336485486.db2.gz ZHQBMKXUCLAACO-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001006398547 1336499231 /nfs/dbraw/zinc/49/92/31/1336499231.db2.gz DSQCXZIVRRWFKP-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCCCC2)C1 ZINC001006923969 1336607805 /nfs/dbraw/zinc/60/78/05/1336607805.db2.gz GRZNCMUBTWLJMO-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001006923969 1336607809 /nfs/dbraw/zinc/60/78/09/1336607809.db2.gz GRZNCMUBTWLJMO-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001006923969 1336607811 /nfs/dbraw/zinc/60/78/11/1336607811.db2.gz GRZNCMUBTWLJMO-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007458161 1336650923 /nfs/dbraw/zinc/65/09/23/1336650923.db2.gz VLPXXXXTEAUBTB-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001007458161 1336650924 /nfs/dbraw/zinc/65/09/24/1336650924.db2.gz VLPXXXXTEAUBTB-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cc1 ZINC001007946942 1336737559 /nfs/dbraw/zinc/73/75/59/1336737559.db2.gz FUDKXDZXHXYZCJ-IBGZPJMESA-N 2 1 348.450 3.037 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCCC2CCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001007954342 1336738408 /nfs/dbraw/zinc/73/84/08/1336738408.db2.gz UFNHAHFRGWXGJG-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001008343497 1336827867 /nfs/dbraw/zinc/82/78/67/1336827867.db2.gz NXIZUVLHDKBPPM-SFHVURJKSA-N 2 1 345.487 3.036 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001008343497 1336827870 /nfs/dbraw/zinc/82/78/70/1336827870.db2.gz NXIZUVLHDKBPPM-SFHVURJKSA-N 2 1 345.487 3.036 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001008534231 1336877064 /nfs/dbraw/zinc/87/70/64/1336877064.db2.gz WFDCQYDGZAMZKV-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001008534231 1336877066 /nfs/dbraw/zinc/87/70/66/1336877066.db2.gz WFDCQYDGZAMZKV-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001008534231 1336877068 /nfs/dbraw/zinc/87/70/68/1336877068.db2.gz WFDCQYDGZAMZKV-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001008744317 1336918497 /nfs/dbraw/zinc/91/84/97/1336918497.db2.gz AVAUVLWFGNZVLF-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001008772868 1336923580 /nfs/dbraw/zinc/92/35/80/1336923580.db2.gz WSDWRXSYELTTTK-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001008772868 1336923585 /nfs/dbraw/zinc/92/35/85/1336923585.db2.gz WSDWRXSYELTTTK-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001008772868 1336923587 /nfs/dbraw/zinc/92/35/87/1336923587.db2.gz WSDWRXSYELTTTK-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH+]1CCC(Oc2cccc(Cl)n2)CC1 ZINC001207287369 1371351016 /nfs/dbraw/zinc/35/10/16/1371351016.db2.gz CONNBKKVSIUSKU-UHFFFAOYSA-N 2 1 325.884 3.166 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014964733 1337970274 /nfs/dbraw/zinc/97/02/74/1337970274.db2.gz RHHGUFNLNXOPSO-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001014964733 1337970281 /nfs/dbraw/zinc/97/02/81/1337970281.db2.gz RHHGUFNLNXOPSO-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001014964733 1337970285 /nfs/dbraw/zinc/97/02/85/1337970285.db2.gz RHHGUFNLNXOPSO-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001015056693 1338004453 /nfs/dbraw/zinc/00/44/53/1338004453.db2.gz IEVHGZHJHQENNO-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001015056693 1338004455 /nfs/dbraw/zinc/00/44/55/1338004455.db2.gz IEVHGZHJHQENNO-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001015056693 1338004457 /nfs/dbraw/zinc/00/44/57/1338004457.db2.gz IEVHGZHJHQENNO-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001015116007 1338023302 /nfs/dbraw/zinc/02/33/02/1338023302.db2.gz YYAPVMUZSIOAEG-SFHVURJKSA-N 2 1 338.455 3.029 20 0 EGADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001015499184 1338160716 /nfs/dbraw/zinc/16/07/16/1338160716.db2.gz OOZXJBQVVCYEOW-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001015597185 1338201088 /nfs/dbraw/zinc/20/10/88/1338201088.db2.gz NVMASJBCRMLTBA-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001015597185 1338201091 /nfs/dbraw/zinc/20/10/91/1338201091.db2.gz NVMASJBCRMLTBA-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001015597185 1338201094 /nfs/dbraw/zinc/20/10/94/1338201094.db2.gz NVMASJBCRMLTBA-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603735 1338204544 /nfs/dbraw/zinc/20/45/44/1338204544.db2.gz XIPQMYLQRKMPDL-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603735 1338204547 /nfs/dbraw/zinc/20/45/47/1338204547.db2.gz XIPQMYLQRKMPDL-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603735 1338204549 /nfs/dbraw/zinc/20/45/49/1338204549.db2.gz XIPQMYLQRKMPDL-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795742 1338315109 /nfs/dbraw/zinc/31/51/09/1338315109.db2.gz RRKXERRWSIYAJB-ICSRJNTNSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001015797116 1338315297 /nfs/dbraw/zinc/31/52/97/1338315297.db2.gz XWOJFGPTOYBLLT-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001015797116 1338315300 /nfs/dbraw/zinc/31/53/00/1338315300.db2.gz XWOJFGPTOYBLLT-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001015797116 1338315305 /nfs/dbraw/zinc/31/53/05/1338315305.db2.gz XWOJFGPTOYBLLT-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001015971352 1338383722 /nfs/dbraw/zinc/38/37/22/1338383722.db2.gz AFICCRPQVWLRCY-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001015971352 1338383728 /nfs/dbraw/zinc/38/37/28/1338383728.db2.gz AFICCRPQVWLRCY-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001015971352 1338383730 /nfs/dbraw/zinc/38/37/30/1338383730.db2.gz AFICCRPQVWLRCY-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)(C)C1CCC(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001016260800 1338526080 /nfs/dbraw/zinc/52/60/80/1338526080.db2.gz HQBPEBFOYWHFQQ-ACBHZAAOSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(C)C)CC2 ZINC001016923834 1338771586 /nfs/dbraw/zinc/77/15/86/1338771586.db2.gz NHUFCHDEWZXELW-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1)CC1CCCCCC1 ZINC001017070471 1338847287 /nfs/dbraw/zinc/84/72/87/1338847287.db2.gz FYGGTIXYHLKSEI-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)CC1CCCCCC1 ZINC001017070471 1338847292 /nfs/dbraw/zinc/84/72/92/1338847292.db2.gz FYGGTIXYHLKSEI-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1)CC1CCCCCC1 ZINC001017070471 1338847297 /nfs/dbraw/zinc/84/72/97/1338847297.db2.gz FYGGTIXYHLKSEI-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001017129109 1338884678 /nfs/dbraw/zinc/88/46/78/1338884678.db2.gz XVQMKPOVMWYCMY-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001017129109 1338884682 /nfs/dbraw/zinc/88/46/82/1338884682.db2.gz XVQMKPOVMWYCMY-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001017129109 1338884685 /nfs/dbraw/zinc/88/46/85/1338884685.db2.gz XVQMKPOVMWYCMY-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCC2)C1 ZINC001017159648 1338908260 /nfs/dbraw/zinc/90/82/60/1338908260.db2.gz CDVYZSLDBXXVIL-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001017159648 1338908265 /nfs/dbraw/zinc/90/82/65/1338908265.db2.gz CDVYZSLDBXXVIL-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017159648 1338908269 /nfs/dbraw/zinc/90/82/69/1338908269.db2.gz CDVYZSLDBXXVIL-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C[NH+](C)CC3CCCCC3)C2)C1 ZINC001017209565 1338955772 /nfs/dbraw/zinc/95/57/72/1338955772.db2.gz QJAWYTHMIQINAN-QUCCMNQESA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H](C[N@H+](C)CC3CCCCC3)C2)C1 ZINC001017209565 1338955777 /nfs/dbraw/zinc/95/57/77/1338955777.db2.gz QJAWYTHMIQINAN-QUCCMNQESA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H](C[N@@H+](C)CC3CCCCC3)C2)C1 ZINC001017209565 1338955779 /nfs/dbraw/zinc/95/57/79/1338955779.db2.gz QJAWYTHMIQINAN-QUCCMNQESA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001018051359 1339490675 /nfs/dbraw/zinc/49/06/75/1339490675.db2.gz GAIQFBNDGNIUGS-INDMIFKZSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001018051359 1339490677 /nfs/dbraw/zinc/49/06/77/1339490677.db2.gz GAIQFBNDGNIUGS-INDMIFKZSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001018051359 1339490678 /nfs/dbraw/zinc/49/06/78/1339490678.db2.gz GAIQFBNDGNIUGS-INDMIFKZSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001018313839 1339572772 /nfs/dbraw/zinc/57/27/72/1339572772.db2.gz OJNLRROPONFRET-YSTOQKLRSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001018314390 1339573346 /nfs/dbraw/zinc/57/33/46/1339573346.db2.gz TZCPZYRGULDCFX-HSALFYBXSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001018314390 1339573347 /nfs/dbraw/zinc/57/33/47/1339573347.db2.gz TZCPZYRGULDCFX-HSALFYBXSA-N 2 1 347.547 3.138 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCCC2CCC2)C1 ZINC001028088788 1340417877 /nfs/dbraw/zinc/41/78/77/1340417877.db2.gz PSLMCCTXQJFKPP-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCCC2CCC2)C1 ZINC001028088788 1340417882 /nfs/dbraw/zinc/41/78/82/1340417882.db2.gz PSLMCCTXQJFKPP-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCCC2CCC2)C1 ZINC001028088788 1340417885 /nfs/dbraw/zinc/41/78/85/1340417885.db2.gz PSLMCCTXQJFKPP-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028092675 1340421521 /nfs/dbraw/zinc/42/15/21/1340421521.db2.gz BMXVGOISHBWQCN-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028092675 1340421524 /nfs/dbraw/zinc/42/15/24/1340421524.db2.gz BMXVGOISHBWQCN-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028092675 1340421525 /nfs/dbraw/zinc/42/15/25/1340421525.db2.gz BMXVGOISHBWQCN-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093303 1340421717 /nfs/dbraw/zinc/42/17/17/1340421717.db2.gz JTUYOMBFGSVUMH-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093303 1340421719 /nfs/dbraw/zinc/42/17/19/1340421719.db2.gz JTUYOMBFGSVUMH-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093303 1340421723 /nfs/dbraw/zinc/42/17/23/1340421723.db2.gz JTUYOMBFGSVUMH-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028114550 1340436387 /nfs/dbraw/zinc/43/63/87/1340436387.db2.gz IRTLEJYPIOIUJL-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC(C)C ZINC001028254622 1340515472 /nfs/dbraw/zinc/51/54/72/1340515472.db2.gz YOWCEGKTCNQWBM-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC(C)C ZINC001028254622 1340515476 /nfs/dbraw/zinc/51/54/76/1340515476.db2.gz YOWCEGKTCNQWBM-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC(C)C ZINC001028254622 1340515481 /nfs/dbraw/zinc/51/54/81/1340515481.db2.gz YOWCEGKTCNQWBM-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCC1 ZINC001028335170 1340571983 /nfs/dbraw/zinc/57/19/83/1340571983.db2.gz OZWGJVWHESSEOR-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC001028335170 1340571985 /nfs/dbraw/zinc/57/19/85/1340571985.db2.gz OZWGJVWHESSEOR-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCCC1 ZINC001028335170 1340571988 /nfs/dbraw/zinc/57/19/88/1340571988.db2.gz OZWGJVWHESSEOR-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343011 1340582576 /nfs/dbraw/zinc/58/25/76/1340582576.db2.gz KBVBKXCTTVDEKV-IAGOWNOFSA-N 2 1 349.519 3.362 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001028647697 1340742269 /nfs/dbraw/zinc/74/22/69/1340742269.db2.gz MBXXZAWKUGPVDJ-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001028647697 1340742271 /nfs/dbraw/zinc/74/22/71/1340742271.db2.gz MBXXZAWKUGPVDJ-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001028647697 1340742273 /nfs/dbraw/zinc/74/22/73/1340742273.db2.gz MBXXZAWKUGPVDJ-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(NC[C@H]1CC[N@@H+](CCC2CC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028755638 1340791812 /nfs/dbraw/zinc/79/18/12/1340791812.db2.gz RDGJESNXGSELHW-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CC[NH+](CCC2CC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028755638 1340791815 /nfs/dbraw/zinc/79/18/15/1340791815.db2.gz RDGJESNXGSELHW-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CC[NH+](CCC2CC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028755638 1340791818 /nfs/dbraw/zinc/79/18/18/1340791818.db2.gz RDGJESNXGSELHW-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001028845813 1340857575 /nfs/dbraw/zinc/85/75/75/1340857575.db2.gz QONOVXWFIBZQHN-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001028845813 1340857582 /nfs/dbraw/zinc/85/75/82/1340857582.db2.gz QONOVXWFIBZQHN-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001028845813 1340857589 /nfs/dbraw/zinc/85/75/89/1340857589.db2.gz QONOVXWFIBZQHN-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001028902254 1340879505 /nfs/dbraw/zinc/87/95/05/1340879505.db2.gz RWUNMBKKWQCFPX-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001029003224 1340905447 /nfs/dbraw/zinc/90/54/47/1340905447.db2.gz JFHURPIZKYSXHN-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001029003224 1340905448 /nfs/dbraw/zinc/90/54/48/1340905448.db2.gz JFHURPIZKYSXHN-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001029003224 1340905449 /nfs/dbraw/zinc/90/54/49/1340905449.db2.gz JFHURPIZKYSXHN-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC([C@H](C)[NH2+]CC2CC2)CC1 ZINC001029154314 1340944454 /nfs/dbraw/zinc/94/44/54/1340944454.db2.gz KVIHZOAFEHXKJW-INIZCTEOSA-N 2 1 346.519 3.023 20 0 EGADMP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1cccc(C)c1)[NH+](C)C ZINC001029356258 1340976582 /nfs/dbraw/zinc/97/65/82/1340976582.db2.gz HQWVQSQKJJGPTE-RSPOEFSDSA-N 2 1 343.515 3.071 20 0 EGADMP CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1)[NH+]1CCCC1 ZINC001029419118 1340986168 /nfs/dbraw/zinc/98/61/68/1340986168.db2.gz HBGPWGIBSFJOOA-KDURUIRLSA-N 2 1 345.531 3.036 20 0 EGADMP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCCC1)[NH+](C)C ZINC001029478508 1340998450 /nfs/dbraw/zinc/99/84/50/1340998450.db2.gz PPVVXTOYWFJOCW-ZCNNSNEGSA-N 2 1 349.563 3.362 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001029737545 1341059019 /nfs/dbraw/zinc/05/90/19/1341059019.db2.gz LRDNDMJZGMSMLD-JLAWEPINSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCCC2)C1)C1CCC1 ZINC001029755643 1341064187 /nfs/dbraw/zinc/06/41/87/1341064187.db2.gz RAEIHUXIJONMTK-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)CC1CCCCCC1 ZINC001029755643 1341064189 /nfs/dbraw/zinc/06/41/89/1341064189.db2.gz RAEIHUXIJONMTK-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)CC1CCCCCC1 ZINC001029755643 1341064191 /nfs/dbraw/zinc/06/41/91/1341064191.db2.gz RAEIHUXIJONMTK-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001029910687 1341113795 /nfs/dbraw/zinc/11/37/95/1341113795.db2.gz VWMBIGIXIXTBCQ-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030020543 1341159810 /nfs/dbraw/zinc/15/98/10/1341159810.db2.gz JZMCEPFJSGOVBL-BJLQDIEVSA-N 2 1 343.515 3.121 20 0 EGADMP CC1(C)CCC(C[NH+]2CC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC001030518624 1341193683 /nfs/dbraw/zinc/19/36/83/1341193683.db2.gz HLWAWIAIYCIGIA-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CCC(C[NH+]2CC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC001030518624 1341193685 /nfs/dbraw/zinc/19/36/85/1341193685.db2.gz HLWAWIAIYCIGIA-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@@H+]1CCC[C@@H](C(=O)NC2C[NH+]([C@H](CC)c3ccccc3)C2)C1 ZINC001030826147 1341231500 /nfs/dbraw/zinc/23/15/00/1341231500.db2.gz VOQVWGNYXJRSIT-UYAOXDASSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2C[NH+]([C@H](CC)c3ccccc3)C2)C1 ZINC001030826147 1341231502 /nfs/dbraw/zinc/23/15/02/1341231502.db2.gz VOQVWGNYXJRSIT-UYAOXDASSA-N 2 1 343.515 3.060 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCC2=CCCCC2)C1 ZINC001031234809 1341300900 /nfs/dbraw/zinc/30/09/00/1341300900.db2.gz IQWMLISDVXMPEY-HXUWFJFHSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCC2=CCCCC2)C1 ZINC001031234809 1341300902 /nfs/dbraw/zinc/30/09/02/1341300902.db2.gz IQWMLISDVXMPEY-HXUWFJFHSA-N 2 1 347.547 3.332 20 0 EGADMP O=C(NCC1C[NH+](CC2CCCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001031730618 1341394526 /nfs/dbraw/zinc/39/45/26/1341394526.db2.gz SNXRODNJNUUNQU-FQEVSTJZSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](CCCC3CCCC3)C2)C1 ZINC001031917007 1341421642 /nfs/dbraw/zinc/42/16/42/1341421642.db2.gz LIWGBHOBUIYERN-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCCCC1)[NH+](C)C ZINC001032611217 1341559029 /nfs/dbraw/zinc/55/90/29/1341559029.db2.gz FILOKZSONIXUIM-SLFFLAALSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1=CCCCC1 ZINC001032663740 1341575886 /nfs/dbraw/zinc/57/58/86/1341575886.db2.gz AABJOTLKQOAHQM-UFYCRDLUSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CCCCC1 ZINC001032663740 1341575887 /nfs/dbraw/zinc/57/58/87/1341575887.db2.gz AABJOTLKQOAHQM-UFYCRDLUSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CCCCC1 ZINC001032663740 1341575888 /nfs/dbraw/zinc/57/58/88/1341575888.db2.gz AABJOTLKQOAHQM-UFYCRDLUSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083313 1341718737 /nfs/dbraw/zinc/71/87/37/1341718737.db2.gz ZPVWONIXQDXLPU-AZUAARDMSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033083313 1341718739 /nfs/dbraw/zinc/71/87/39/1341718739.db2.gz ZPVWONIXQDXLPU-AZUAARDMSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033083313 1341718741 /nfs/dbraw/zinc/71/87/41/1341718741.db2.gz ZPVWONIXQDXLPU-AZUAARDMSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033145903 1341739846 /nfs/dbraw/zinc/73/98/46/1341739846.db2.gz LOOZRLFYELDMJC-ZWKOTPCHSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001033145903 1341739847 /nfs/dbraw/zinc/73/98/47/1341739847.db2.gz LOOZRLFYELDMJC-ZWKOTPCHSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001033145903 1341739849 /nfs/dbraw/zinc/73/98/49/1341739849.db2.gz LOOZRLFYELDMJC-ZWKOTPCHSA-N 2 1 349.544 3.044 20 0 EGADMP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033231055 1341755490 /nfs/dbraw/zinc/75/54/90/1341755490.db2.gz ZVIUWWODQYNZSR-GOSISDBHSA-N 2 1 340.471 3.061 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033319310 1341779892 /nfs/dbraw/zinc/77/98/92/1341779892.db2.gz PFIFWZUHAUZAAR-PKOBYXMFSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001033466277 1341837092 /nfs/dbraw/zinc/83/70/92/1341837092.db2.gz CVHNESUQDLBTEO-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033826528 1342028384 /nfs/dbraw/zinc/02/83/84/1342028384.db2.gz QRHDPOCDIUQYBM-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033826528 1342028385 /nfs/dbraw/zinc/02/83/85/1342028385.db2.gz QRHDPOCDIUQYBM-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033826528 1342028386 /nfs/dbraw/zinc/02/83/86/1342028386.db2.gz QRHDPOCDIUQYBM-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033834335 1342033882 /nfs/dbraw/zinc/03/38/82/1342033882.db2.gz OOMNBAQTKKCLFR-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033834335 1342033883 /nfs/dbraw/zinc/03/38/83/1342033883.db2.gz OOMNBAQTKKCLFR-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033834335 1342033884 /nfs/dbraw/zinc/03/38/84/1342033884.db2.gz OOMNBAQTKKCLFR-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033887806 1342060869 /nfs/dbraw/zinc/06/08/69/1342060869.db2.gz PDXLSRMSNVGUEO-SFHVURJKSA-N 2 1 342.487 3.307 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001033932346 1342096937 /nfs/dbraw/zinc/09/69/37/1342096937.db2.gz LRGPKCFOJFZEAI-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001033932346 1342096941 /nfs/dbraw/zinc/09/69/41/1342096941.db2.gz LRGPKCFOJFZEAI-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001033932346 1342096944 /nfs/dbraw/zinc/09/69/44/1342096944.db2.gz LRGPKCFOJFZEAI-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034136921 1342264033 /nfs/dbraw/zinc/26/40/33/1342264033.db2.gz MJIZREWWNZOJSP-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCC2CCCC2)C1 ZINC001034136921 1342264036 /nfs/dbraw/zinc/26/40/36/1342264036.db2.gz MJIZREWWNZOJSP-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCC2CCCC2)C1 ZINC001034136921 1342264040 /nfs/dbraw/zinc/26/40/40/1342264040.db2.gz MJIZREWWNZOJSP-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211051 1342321040 /nfs/dbraw/zinc/32/10/40/1342321040.db2.gz LEURAWQOVFDIHX-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034211051 1342321044 /nfs/dbraw/zinc/32/10/44/1342321044.db2.gz LEURAWQOVFDIHX-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034211051 1342321047 /nfs/dbraw/zinc/32/10/47/1342321047.db2.gz LEURAWQOVFDIHX-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCCC[N@@H+](CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001034211035 1342321258 /nfs/dbraw/zinc/32/12/58/1342321258.db2.gz KRBBRFAFGPYDCX-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034239220 1342340191 /nfs/dbraw/zinc/34/01/91/1342340191.db2.gz JFFURCRCTPIRJE-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034239220 1342340192 /nfs/dbraw/zinc/34/01/92/1342340192.db2.gz JFFURCRCTPIRJE-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034239220 1342340194 /nfs/dbraw/zinc/34/01/94/1342340194.db2.gz JFFURCRCTPIRJE-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034239056 1342340209 /nfs/dbraw/zinc/34/02/09/1342340209.db2.gz HMRAVIIHVFWAGP-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2=CCCCC2)C1 ZINC001034239056 1342340211 /nfs/dbraw/zinc/34/02/11/1342340211.db2.gz HMRAVIIHVFWAGP-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2=CCCCC2)C1 ZINC001034239056 1342340213 /nfs/dbraw/zinc/34/02/13/1342340213.db2.gz HMRAVIIHVFWAGP-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034281765 1342371854 /nfs/dbraw/zinc/37/18/54/1342371854.db2.gz FSVKIBUVSNBRIU-QGZVFWFLSA-N 2 1 340.471 3.193 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001034289998 1342376535 /nfs/dbraw/zinc/37/65/35/1342376535.db2.gz CXOLNBSHWCSDCX-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001034393674 1342462490 /nfs/dbraw/zinc/46/24/90/1342462490.db2.gz GWHNKOWUKBCZJM-UYAOXDASSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001034393674 1342462492 /nfs/dbraw/zinc/46/24/92/1342462492.db2.gz GWHNKOWUKBCZJM-UYAOXDASSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001034393674 1342462495 /nfs/dbraw/zinc/46/24/95/1342462495.db2.gz GWHNKOWUKBCZJM-UYAOXDASSA-N 2 1 347.547 3.189 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](CC3CCCCC3)C2)C1 ZINC001034396433 1342464735 /nfs/dbraw/zinc/46/47/35/1342464735.db2.gz FQGGFJYPBKBJFA-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CC3CCCCC3)C2)C1 ZINC001034396433 1342464742 /nfs/dbraw/zinc/46/47/42/1342464742.db2.gz FQGGFJYPBKBJFA-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CC3CCCCC3)C2)C1 ZINC001034396433 1342464747 /nfs/dbraw/zinc/46/47/47/1342464747.db2.gz FQGGFJYPBKBJFA-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2CCCC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001034430413 1342492820 /nfs/dbraw/zinc/49/28/20/1342492820.db2.gz DXRAIUMAORNQMT-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](C/C=C\Cl)C2)cc1 ZINC001034444728 1342505236 /nfs/dbraw/zinc/50/52/36/1342505236.db2.gz KNEKAOQDENXIIU-RKMNRJFLSA-N 2 1 349.906 3.085 20 0 EGADMP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034490474 1342546843 /nfs/dbraw/zinc/54/68/43/1342546843.db2.gz KCQWYAJTGARTFG-KRWDZBQOSA-N 2 1 346.519 3.168 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034490474 1342546846 /nfs/dbraw/zinc/54/68/46/1342546846.db2.gz KCQWYAJTGARTFG-KRWDZBQOSA-N 2 1 346.519 3.168 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001034613035 1342648469 /nfs/dbraw/zinc/64/84/69/1342648469.db2.gz XDKLPDJONSMQTD-FHWLQOOXSA-N 2 1 335.536 3.068 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001034673496 1342684930 /nfs/dbraw/zinc/68/49/30/1342684930.db2.gz BPBMTEAGMWGBOT-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001034795850 1342762228 /nfs/dbraw/zinc/76/22/28/1342762228.db2.gz VJIAFWYAKLZOEA-UFYCRDLUSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034796007 1342762319 /nfs/dbraw/zinc/76/23/19/1342762319.db2.gz BDUGMZXXKMGAHJ-BMOGMMAESA-N 2 1 349.563 3.457 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC001035013050 1342874848 /nfs/dbraw/zinc/87/48/48/1342874848.db2.gz AMZOMVSDMCFNBG-ZTFGCOKTSA-N 2 1 349.906 3.076 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001035132784 1342948399 /nfs/dbraw/zinc/94/83/99/1342948399.db2.gz DMCHWQAIECNUEZ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC3(C[NH+](CCC(C)C)C3)CC2)C1 ZINC001035772612 1343184422 /nfs/dbraw/zinc/18/44/22/1343184422.db2.gz HCZZBBVMLLKRCH-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001036408008 1343469201 /nfs/dbraw/zinc/46/92/01/1343469201.db2.gz CYVOKBXSXSTSRA-IEBWSBKVSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036717425 1343649601 /nfs/dbraw/zinc/64/96/01/1343649601.db2.gz VRUMTEYKNNMVTQ-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001037135416 1343985278 /nfs/dbraw/zinc/98/52/78/1343985278.db2.gz AKNSOVSHGNRBCW-RBUKOAKNSA-N 2 1 346.519 3.036 20 0 EGADMP CC[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001037923912 1344183806 /nfs/dbraw/zinc/18/38/06/1344183806.db2.gz GDCCAAKDNIEJAZ-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248082 1344342946 /nfs/dbraw/zinc/34/29/46/1344342946.db2.gz LUXMXLXVAWKLBB-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248082 1344342948 /nfs/dbraw/zinc/34/29/48/1344342948.db2.gz LUXMXLXVAWKLBB-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248082 1344342950 /nfs/dbraw/zinc/34/29/50/1344342950.db2.gz LUXMXLXVAWKLBB-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001038314657 1344376898 /nfs/dbraw/zinc/37/68/98/1344376898.db2.gz MYRRQGUACQMBNU-MRXNPFEDSA-N 2 1 349.544 3.050 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001038314657 1344376901 /nfs/dbraw/zinc/37/69/01/1344376901.db2.gz MYRRQGUACQMBNU-MRXNPFEDSA-N 2 1 349.544 3.050 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001038653224 1344524234 /nfs/dbraw/zinc/52/42/34/1344524234.db2.gz UHPMVPXUXWIAOH-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CC[N@H+]1CCCC1CCCC1 ZINC001038653224 1344524236 /nfs/dbraw/zinc/52/42/36/1344524236.db2.gz UHPMVPXUXWIAOH-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CC2CCCCCC2)CC1 ZINC001038862886 1344618654 /nfs/dbraw/zinc/61/86/54/1344618654.db2.gz JMLYYBVIDWAGQY-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC001038908364 1344645533 /nfs/dbraw/zinc/64/55/33/1344645533.db2.gz IXXMDDDGNRLJAB-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC001038908364 1344645538 /nfs/dbraw/zinc/64/55/38/1344645538.db2.gz IXXMDDDGNRLJAB-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001038908364 1344645543 /nfs/dbraw/zinc/64/55/43/1344645543.db2.gz IXXMDDDGNRLJAB-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001038908364 1344645547 /nfs/dbraw/zinc/64/55/47/1344645547.db2.gz IXXMDDDGNRLJAB-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+]2CCCC2CCC2)c1 ZINC001039039753 1344728432 /nfs/dbraw/zinc/72/84/32/1344728432.db2.gz KFEADCZKBXKXAL-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC([C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001039133747 1344812022 /nfs/dbraw/zinc/81/20/22/1344812022.db2.gz LPOSXJSQUPVYJS-VQTJNVASSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CC[C@H](C2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039133747 1344812028 /nfs/dbraw/zinc/81/20/28/1344812028.db2.gz LPOSXJSQUPVYJS-VQTJNVASSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CC[C@H](C2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039133747 1344812033 /nfs/dbraw/zinc/81/20/33/1344812033.db2.gz LPOSXJSQUPVYJS-VQTJNVASSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039133977 1344812366 /nfs/dbraw/zinc/81/23/66/1344812366.db2.gz NEUPVMGUGHODMU-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001039133977 1344812369 /nfs/dbraw/zinc/81/23/69/1344812369.db2.gz NEUPVMGUGHODMU-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001039133977 1344812371 /nfs/dbraw/zinc/81/23/71/1344812371.db2.gz NEUPVMGUGHODMU-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039136973 1344815592 /nfs/dbraw/zinc/81/55/92/1344815592.db2.gz LEVHQOVWEZTBQA-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167259 1344853501 /nfs/dbraw/zinc/85/35/01/1344853501.db2.gz PXFDOPWOVCJSCS-WOJBJXKFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC001039167259 1344853502 /nfs/dbraw/zinc/85/35/02/1344853502.db2.gz PXFDOPWOVCJSCS-WOJBJXKFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC001039167259 1344853505 /nfs/dbraw/zinc/85/35/05/1344853505.db2.gz PXFDOPWOVCJSCS-WOJBJXKFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC([C@@H]2CC[N@H+](C(C)C)C2)CC1)[NH+]1CCCC1 ZINC001039176236 1344868849 /nfs/dbraw/zinc/86/88/49/1344868849.db2.gz QEIODDDHFSVSNR-UXHICEINSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214368 1344929641 /nfs/dbraw/zinc/92/96/41/1344929641.db2.gz OKPIKEWELLLJPD-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039214368 1344929645 /nfs/dbraw/zinc/92/96/45/1344929645.db2.gz OKPIKEWELLLJPD-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039214368 1344929647 /nfs/dbraw/zinc/92/96/47/1344929647.db2.gz OKPIKEWELLLJPD-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039375472 1345033284 /nfs/dbraw/zinc/03/32/84/1345033284.db2.gz GVJYVDZAVQRRHN-MOPGFXCFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001039474495 1345088898 /nfs/dbraw/zinc/08/88/98/1345088898.db2.gz LCFPMKQHTUNESV-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039474378 1345089285 /nfs/dbraw/zinc/08/92/85/1345089285.db2.gz FFLNUGYXGVPQSJ-HSALFYBXSA-N 2 1 347.547 3.138 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001039913578 1345244929 /nfs/dbraw/zinc/24/49/29/1345244929.db2.gz AZAGKESDYZCCTB-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001039913578 1345244936 /nfs/dbraw/zinc/24/49/36/1345244936.db2.gz AZAGKESDYZCCTB-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001039913578 1345244938 /nfs/dbraw/zinc/24/49/38/1345244938.db2.gz AZAGKESDYZCCTB-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001040017297 1345289223 /nfs/dbraw/zinc/28/92/23/1345289223.db2.gz IPCJGVSFUJKIMA-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001040017297 1345289227 /nfs/dbraw/zinc/28/92/27/1345289227.db2.gz IPCJGVSFUJKIMA-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001040017297 1345289231 /nfs/dbraw/zinc/28/92/31/1345289231.db2.gz IPCJGVSFUJKIMA-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001040226902 1345384516 /nfs/dbraw/zinc/38/45/16/1345384516.db2.gz AODATORXVAHRET-LJQANCHMSA-N 2 1 349.544 3.148 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC(C)(C)C)C2)C1CC1 ZINC001040239910 1345390032 /nfs/dbraw/zinc/39/00/32/1345390032.db2.gz ASAICOQHRUPEBY-WIYYLYMNSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240892 1345391389 /nfs/dbraw/zinc/39/13/89/1345391389.db2.gz KRJONPQDRIIJNX-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001040240892 1345391390 /nfs/dbraw/zinc/39/13/90/1345391390.db2.gz KRJONPQDRIIJNX-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001040240892 1345391396 /nfs/dbraw/zinc/39/13/96/1345391396.db2.gz KRJONPQDRIIJNX-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040432325 1345494970 /nfs/dbraw/zinc/49/49/70/1345494970.db2.gz NRWVYHXOLLQFIF-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041599593 1345788295 /nfs/dbraw/zinc/78/82/95/1345788295.db2.gz IGRLSJWLYZPQDU-CUWPLCDZSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001041599593 1345788296 /nfs/dbraw/zinc/78/82/96/1345788296.db2.gz IGRLSJWLYZPQDU-CUWPLCDZSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001041599593 1345788301 /nfs/dbraw/zinc/78/83/01/1345788301.db2.gz IGRLSJWLYZPQDU-CUWPLCDZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CCCC3CCC3)C2)C1)[NH+](C)C ZINC001041644493 1345808990 /nfs/dbraw/zinc/80/89/90/1345808990.db2.gz DUJQUIYWAKWSCW-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845932 1345871532 /nfs/dbraw/zinc/87/15/32/1345871532.db2.gz SJVNWCNKUOKIJT-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042187095 1345974147 /nfs/dbraw/zinc/97/41/47/1345974147.db2.gz LOSJDEAXEYIFSU-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1C[NH+](CCC2=CCCCC2)C1 ZINC001043075422 1346137204 /nfs/dbraw/zinc/13/72/04/1346137204.db2.gz ZBPHOQFLAJZREN-AZUAARDMSA-N 2 1 345.531 3.036 20 0 EGADMP CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1C[NH+](CCC2=CCCCC2)C1 ZINC001043075422 1346137207 /nfs/dbraw/zinc/13/72/07/1346137207.db2.gz ZBPHOQFLAJZREN-AZUAARDMSA-N 2 1 345.531 3.036 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001043355281 1346168838 /nfs/dbraw/zinc/16/88/38/1346168838.db2.gz OBXHAZWZTFEHED-MRXNPFEDSA-N 2 1 348.450 3.160 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CCC2=CCCCC2)C1 ZINC001044005240 1346232577 /nfs/dbraw/zinc/23/25/77/1346232577.db2.gz CITSWINXVHUKBP-HXUWFJFHSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CCC2=CCCCC2)C1 ZINC001044005240 1346232580 /nfs/dbraw/zinc/23/25/80/1346232580.db2.gz CITSWINXVHUKBP-HXUWFJFHSA-N 2 1 347.547 3.282 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C[C@@H]1C ZINC001044686998 1346403198 /nfs/dbraw/zinc/40/31/98/1346403198.db2.gz XQTCHRHOOFPJPZ-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001045228849 1346536368 /nfs/dbraw/zinc/53/63/68/1346536368.db2.gz CSXMXUJYACVSFY-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001045228850 1346536406 /nfs/dbraw/zinc/53/64/06/1346536406.db2.gz CSXMXUJYACVSFY-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1)C1CCC1 ZINC001045795148 1346700175 /nfs/dbraw/zinc/70/01/75/1346700175.db2.gz RGKFSEUEUKLTKD-UXHICEINSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1)C1CCC1 ZINC001045795148 1346700178 /nfs/dbraw/zinc/70/01/78/1346700178.db2.gz RGKFSEUEUKLTKD-UXHICEINSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1)C1CCC1 ZINC001045795148 1346700180 /nfs/dbraw/zinc/70/01/80/1346700180.db2.gz RGKFSEUEUKLTKD-UXHICEINSA-N 2 1 345.531 3.036 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001045921608 1346758756 /nfs/dbraw/zinc/75/87/56/1346758756.db2.gz PJGTXOBQBKDKQJ-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001045921608 1346758758 /nfs/dbraw/zinc/75/87/58/1346758758.db2.gz PJGTXOBQBKDKQJ-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001045921608 1346758760 /nfs/dbraw/zinc/75/87/60/1346758760.db2.gz PJGTXOBQBKDKQJ-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001045943046 1346778691 /nfs/dbraw/zinc/77/86/91/1346778691.db2.gz FRSCJGHJXCXRNI-CTNGQTDRSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001045943046 1346778694 /nfs/dbraw/zinc/77/86/94/1346778694.db2.gz FRSCJGHJXCXRNI-CTNGQTDRSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001045943046 1346778696 /nfs/dbraw/zinc/77/86/96/1346778696.db2.gz FRSCJGHJXCXRNI-CTNGQTDRSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](C(C)C)C2)C1 ZINC001045949746 1346784717 /nfs/dbraw/zinc/78/47/17/1346784717.db2.gz ONMZFDVRQADTEC-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001045949746 1346784718 /nfs/dbraw/zinc/78/47/18/1346784718.db2.gz ONMZFDVRQADTEC-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001045949746 1346784722 /nfs/dbraw/zinc/78/47/22/1346784722.db2.gz ONMZFDVRQADTEC-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045966420 1346801600 /nfs/dbraw/zinc/80/16/00/1346801600.db2.gz WCHGHFCKPFOFAJ-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001045966420 1346801603 /nfs/dbraw/zinc/80/16/03/1346801603.db2.gz WCHGHFCKPFOFAJ-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001045966420 1346801607 /nfs/dbraw/zinc/80/16/07/1346801607.db2.gz WCHGHFCKPFOFAJ-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001045977536 1346813605 /nfs/dbraw/zinc/81/36/05/1346813605.db2.gz GMOUCZOZCIXBFM-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CC)C2)C1 ZINC001045978718 1346815169 /nfs/dbraw/zinc/81/51/69/1346815169.db2.gz GNUTVBYASRZZCA-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CC)C2)C1 ZINC001045978718 1346815172 /nfs/dbraw/zinc/81/51/72/1346815172.db2.gz GNUTVBYASRZZCA-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CC)C2)C1 ZINC001045978718 1346815173 /nfs/dbraw/zinc/81/51/73/1346815173.db2.gz GNUTVBYASRZZCA-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC3CCCCCC3)C2)CC[N@H+]1C ZINC001046330755 1346936467 /nfs/dbraw/zinc/93/64/67/1346936467.db2.gz RUUHNTAFKVUAFA-ZVDOUQERSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001046330755 1346936470 /nfs/dbraw/zinc/93/64/70/1346936470.db2.gz RUUHNTAFKVUAFA-ZVDOUQERSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001046330755 1346936474 /nfs/dbraw/zinc/93/64/74/1346936474.db2.gz RUUHNTAFKVUAFA-ZVDOUQERSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1ccccc1C[N@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046483464 1346990811 /nfs/dbraw/zinc/99/08/11/1346990811.db2.gz AXAHVZKYFSEUDE-NRFANRHFSA-N 2 1 348.450 3.037 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001046743162 1347079680 /nfs/dbraw/zinc/07/96/80/1347079680.db2.gz WZJIYCHEBVHFIK-OAQYLSRUSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046760302 1347088389 /nfs/dbraw/zinc/08/83/89/1347088389.db2.gz FGKGORNAEHJPMD-OAQYLSRUSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H](C3CC[NH+](CC)CC3)C2)C1 ZINC001047248599 1347273810 /nfs/dbraw/zinc/27/38/10/1347273810.db2.gz NGGBKSBRQXBBBL-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698336 1357350558 /nfs/dbraw/zinc/35/05/58/1357350558.db2.gz XCSRTQJFWGPJFI-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001048578294 1347602837 /nfs/dbraw/zinc/60/28/37/1347602837.db2.gz NDJOVZHLPCVGTP-FNLKRUPLSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049462689 1347861199 /nfs/dbraw/zinc/86/11/99/1347861199.db2.gz ABKDJLVQFTTYHU-VAMGGRTRSA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001049462689 1347861200 /nfs/dbraw/zinc/86/12/00/1347861200.db2.gz ABKDJLVQFTTYHU-VAMGGRTRSA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001049462689 1347861205 /nfs/dbraw/zinc/86/12/05/1347861205.db2.gz ABKDJLVQFTTYHU-VAMGGRTRSA-N 2 1 349.563 3.361 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCC(C)(C)C)CC[N@H+]1C ZINC001049483342 1347871023 /nfs/dbraw/zinc/87/10/23/1347871023.db2.gz VYHMQPRMQTYDGV-WJFTUGDTSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001049483342 1347871026 /nfs/dbraw/zinc/87/10/26/1347871026.db2.gz VYHMQPRMQTYDGV-WJFTUGDTSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001049483342 1347871028 /nfs/dbraw/zinc/87/10/28/1347871028.db2.gz VYHMQPRMQTYDGV-WJFTUGDTSA-N 2 1 349.563 3.218 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC001049504219 1347881408 /nfs/dbraw/zinc/88/14/08/1347881408.db2.gz FABHQGXKUGPITB-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCC1 ZINC001049504219 1347881409 /nfs/dbraw/zinc/88/14/09/1347881409.db2.gz FABHQGXKUGPITB-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCC1 ZINC001049504219 1347881410 /nfs/dbraw/zinc/88/14/10/1347881410.db2.gz FABHQGXKUGPITB-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049520214 1347888997 /nfs/dbraw/zinc/88/89/97/1347888997.db2.gz CCMDXZDYHQSVTG-VAMGGRTRSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001049520214 1347889001 /nfs/dbraw/zinc/88/90/01/1347889001.db2.gz CCMDXZDYHQSVTG-VAMGGRTRSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001049520214 1347889004 /nfs/dbraw/zinc/88/90/04/1347889004.db2.gz CCMDXZDYHQSVTG-VAMGGRTRSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCC1 ZINC001049520623 1347889480 /nfs/dbraw/zinc/88/94/80/1347889480.db2.gz CXDHTPPLMYKUCX-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCC1 ZINC001049520623 1347889483 /nfs/dbraw/zinc/88/94/83/1347889483.db2.gz CXDHTPPLMYKUCX-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCC1 ZINC001049520623 1347889486 /nfs/dbraw/zinc/88/94/86/1347889486.db2.gz CXDHTPPLMYKUCX-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049520822 1347889489 /nfs/dbraw/zinc/88/94/89/1347889489.db2.gz DYWUYCQBYSWYJJ-XUVXKRRUSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001049520822 1347889492 /nfs/dbraw/zinc/88/94/92/1347889492.db2.gz DYWUYCQBYSWYJJ-XUVXKRRUSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001049520822 1347889494 /nfs/dbraw/zinc/88/94/94/1347889494.db2.gz DYWUYCQBYSWYJJ-XUVXKRRUSA-N 2 1 349.563 3.361 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CC=C(C)C)C1 ZINC001049664483 1347963154 /nfs/dbraw/zinc/96/31/54/1347963154.db2.gz QLMZQQJPKNICFG-XUVXKRRUSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC=C(C)C)C1 ZINC001049664483 1347963156 /nfs/dbraw/zinc/96/31/56/1347963156.db2.gz QLMZQQJPKNICFG-XUVXKRRUSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC=C(C)C)C1 ZINC001049664483 1347963158 /nfs/dbraw/zinc/96/31/58/1347963158.db2.gz QLMZQQJPKNICFG-XUVXKRRUSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049908348 1348105765 /nfs/dbraw/zinc/10/57/65/1348105765.db2.gz HVHMXJKYRHLOGI-PMACEKPBSA-N 2 1 343.515 3.083 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049922517 1348114677 /nfs/dbraw/zinc/11/46/77/1348114677.db2.gz ZLNVPIPEEWFSMU-PMACEKPBSA-N 2 1 343.515 3.083 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CC2CC2)cc1 ZINC001050261644 1348221440 /nfs/dbraw/zinc/22/14/40/1348221440.db2.gz IMXHIOGDOPVEFT-OXJNMPFZSA-N 2 1 343.515 3.236 20 0 EGADMP C[C@@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001050265230 1348222808 /nfs/dbraw/zinc/22/28/08/1348222808.db2.gz LMKNYQLLYYYOHB-UZLBHIALSA-N 2 1 343.515 3.238 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001050519096 1348282933 /nfs/dbraw/zinc/28/29/33/1348282933.db2.gz GBHCJDUYILLCIM-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050542579 1348286934 /nfs/dbraw/zinc/28/69/34/1348286934.db2.gz HHJSVMCACMZGNK-LJQANCHMSA-N 2 1 347.547 3.140 20 0 EGADMP CC1CC(C[N@H+]2CCC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001052377069 1348535294 /nfs/dbraw/zinc/53/52/94/1348535294.db2.gz MPBHJNIMUGJCKG-CTWPCTMYSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC001052377132 1348535443 /nfs/dbraw/zinc/53/54/43/1348535443.db2.gz NPALFUUUZMXQDP-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001052377132 1348535445 /nfs/dbraw/zinc/53/54/45/1348535445.db2.gz NPALFUUUZMXQDP-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001052377132 1348535447 /nfs/dbraw/zinc/53/54/47/1348535447.db2.gz NPALFUUUZMXQDP-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381481 1348536929 /nfs/dbraw/zinc/53/69/29/1348536929.db2.gz RTMBSMNCVAPVJS-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052381481 1348536931 /nfs/dbraw/zinc/53/69/31/1348536931.db2.gz RTMBSMNCVAPVJS-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052381481 1348536933 /nfs/dbraw/zinc/53/69/33/1348536933.db2.gz RTMBSMNCVAPVJS-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CCC3=CCCCC3)CC2)CC[N@H+]1C ZINC001052392694 1348539256 /nfs/dbraw/zinc/53/92/56/1348539256.db2.gz APZFDAUIVRLKAM-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](CCC3=CCCCC3)CC2)CC[NH+]1C ZINC001052392694 1348539258 /nfs/dbraw/zinc/53/92/58/1348539258.db2.gz APZFDAUIVRLKAM-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCC3=CCCCC3)CC2)CC[NH+]1C ZINC001052392694 1348539259 /nfs/dbraw/zinc/53/92/59/1348539259.db2.gz APZFDAUIVRLKAM-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052447028 1348543609 /nfs/dbraw/zinc/54/36/09/1348543609.db2.gz VVIOPJYBHKKEHO-MOPGFXCFSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447028 1348543611 /nfs/dbraw/zinc/54/36/11/1348543611.db2.gz VVIOPJYBHKKEHO-MOPGFXCFSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447028 1348543613 /nfs/dbraw/zinc/54/36/13/1348543613.db2.gz VVIOPJYBHKKEHO-MOPGFXCFSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC001052620478 1348597770 /nfs/dbraw/zinc/59/77/70/1348597770.db2.gz OHSTXDYEWKGBNL-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)CC1)[NH+]1CCCC1 ZINC001052620723 1348597781 /nfs/dbraw/zinc/59/77/81/1348597781.db2.gz SEASQMYJYHWOCJ-LJQANCHMSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1)[NH+]1CCCC1 ZINC001052621139 1348598607 /nfs/dbraw/zinc/59/86/07/1348598607.db2.gz XNLYUALJDXUIQJ-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001052711895 1348644638 /nfs/dbraw/zinc/64/46/38/1348644638.db2.gz ATNZUSPKBYAWRO-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001052711895 1348644641 /nfs/dbraw/zinc/64/46/41/1348644641.db2.gz ATNZUSPKBYAWRO-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001052711895 1348644643 /nfs/dbraw/zinc/64/46/43/1348644643.db2.gz ATNZUSPKBYAWRO-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052716305 1348646567 /nfs/dbraw/zinc/64/65/67/1348646567.db2.gz LHAHWFJBCQVDAU-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001052716305 1348646568 /nfs/dbraw/zinc/64/65/68/1348646568.db2.gz LHAHWFJBCQVDAU-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001052716305 1348646571 /nfs/dbraw/zinc/64/65/71/1348646571.db2.gz LHAHWFJBCQVDAU-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052762752 1348667980 /nfs/dbraw/zinc/66/79/80/1348667980.db2.gz BQUDEYVEABQDKM-OALUTQOASA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052762752 1348667982 /nfs/dbraw/zinc/66/79/82/1348667982.db2.gz BQUDEYVEABQDKM-OALUTQOASA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052762752 1348667985 /nfs/dbraw/zinc/66/79/85/1348667985.db2.gz BQUDEYVEABQDKM-OALUTQOASA-N 2 1 335.536 3.186 20 0 EGADMP C[C@H](F)CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052786974 1348679554 /nfs/dbraw/zinc/67/95/54/1348679554.db2.gz FSAMMVCIQKEEGU-LPHOPBHVSA-N 2 1 349.494 3.081 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052873653 1348713491 /nfs/dbraw/zinc/71/34/91/1348713491.db2.gz QTBKZNIBNDAJFI-QGZVFWFLSA-N 2 1 346.519 3.168 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052873653 1348713493 /nfs/dbraw/zinc/71/34/93/1348713493.db2.gz QTBKZNIBNDAJFI-QGZVFWFLSA-N 2 1 346.519 3.168 20 0 EGADMP CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052967568 1348778649 /nfs/dbraw/zinc/77/86/49/1348778649.db2.gz JNZFHPDPNBFYET-MRXNPFEDSA-N 2 1 335.492 3.116 20 0 EGADMP CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC2CCCC2)CC1 ZINC001052985406 1348788399 /nfs/dbraw/zinc/78/83/99/1348788399.db2.gz LRYGLAPTQTUXSF-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001053104758 1348941343 /nfs/dbraw/zinc/94/13/43/1348941343.db2.gz QIRRYHDIBOLVPQ-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108530 1348947757 /nfs/dbraw/zinc/94/77/57/1348947757.db2.gz VVWGVSFVBCLVLZ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)CCC1 ZINC001054143729 1349153818 /nfs/dbraw/zinc/15/38/18/1349153818.db2.gz IYGBZDSMTXLQOG-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CCCC3CCC3)C2)C1)[NH+](C)C ZINC001054152949 1349156003 /nfs/dbraw/zinc/15/60/03/1349156003.db2.gz IVYVJWATMPWCKC-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001054159459 1349161504 /nfs/dbraw/zinc/16/15/04/1349161504.db2.gz VSWNPXXMLJNQEO-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159459 1349161507 /nfs/dbraw/zinc/16/15/07/1349161507.db2.gz VSWNPXXMLJNQEO-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159459 1349161511 /nfs/dbraw/zinc/16/15/11/1349161511.db2.gz VSWNPXXMLJNQEO-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001054738243 1349450832 /nfs/dbraw/zinc/45/08/32/1349450832.db2.gz OKAIWWXPPVFVRN-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001080456005 1357625257 /nfs/dbraw/zinc/62/52/57/1357625257.db2.gz HUDKDKBJDLEBBG-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001080456005 1357625260 /nfs/dbraw/zinc/62/52/60/1357625260.db2.gz HUDKDKBJDLEBBG-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C[C@H](c3ccccc3)CC2=O)CC1 ZINC001322962223 1387256920 /nfs/dbraw/zinc/25/69/20/1387256920.db2.gz RJZMHQIFIARAHB-HXUWFJFHSA-N 2 1 343.515 3.012 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001071627988 1354811601 /nfs/dbraw/zinc/81/16/01/1354811601.db2.gz MTDGQTLAEBOFIT-NVXWUHKLSA-N 2 1 342.487 3.272 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CC1CC(C)(C)C1 ZINC001071645576 1354824070 /nfs/dbraw/zinc/82/40/70/1354824070.db2.gz KZTRZXAPKOVNHA-AEFFLSMTSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CCC1CCCCC1 ZINC001071794791 1354940461 /nfs/dbraw/zinc/94/04/61/1354940461.db2.gz FQBOUUZNOUNEDF-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@H+]1CC1CCC1 ZINC001071898195 1355013983 /nfs/dbraw/zinc/01/39/83/1355013983.db2.gz XATBZTBTOBPEAZ-JXFKEZNVSA-N 2 1 343.515 3.131 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001071919813 1355024687 /nfs/dbraw/zinc/02/46/87/1355024687.db2.gz IGADZJKBZJQZQW-MJGOQNOKSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[N@H+]1CCC1CCCCC1 ZINC001071996837 1355065638 /nfs/dbraw/zinc/06/56/38/1355065638.db2.gz VMKGPACHWPOVEX-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001072085149 1355119947 /nfs/dbraw/zinc/11/99/47/1355119947.db2.gz NUQZHESTOZHMRC-QFBILLFUSA-N 2 1 344.503 3.051 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001072085149 1355119950 /nfs/dbraw/zinc/11/99/50/1355119950.db2.gz NUQZHESTOZHMRC-QFBILLFUSA-N 2 1 344.503 3.051 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072098656 1355128604 /nfs/dbraw/zinc/12/86/04/1355128604.db2.gz DLHIITXRSHRQRT-IEBWSBKVSA-N 2 1 343.515 3.297 20 0 EGADMP CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1C ZINC001072109355 1355135970 /nfs/dbraw/zinc/13/59/70/1355135970.db2.gz FSVXPWDFDQODSS-CVEARBPZSA-N 2 1 335.492 3.114 20 0 EGADMP CC(C)CC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073462190 1355795572 /nfs/dbraw/zinc/79/55/72/1355795572.db2.gz OAEZGFHWIHALGB-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCCC1 ZINC001074035676 1356046793 /nfs/dbraw/zinc/04/67/93/1356046793.db2.gz WIGCMYXKEPTBQR-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCCC1 ZINC001074035676 1356046796 /nfs/dbraw/zinc/04/67/96/1356046796.db2.gz WIGCMYXKEPTBQR-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CC1CCC(C[N@@H+](C)C[C@H]2CCCCN2C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001074045597 1356050881 /nfs/dbraw/zinc/05/08/81/1356050881.db2.gz YLQQUMBFZQQQAM-NTFDOXNWSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CCC(C[NH+](C)C[C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001074045597 1356050882 /nfs/dbraw/zinc/05/08/82/1356050882.db2.gz YLQQUMBFZQQQAM-NTFDOXNWSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CCC(C[NH+](C)C[C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001074045597 1356050885 /nfs/dbraw/zinc/05/08/85/1356050885.db2.gz YLQQUMBFZQQQAM-NTFDOXNWSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CC2=CCCCC2)C1 ZINC001074064904 1356062890 /nfs/dbraw/zinc/06/28/90/1356062890.db2.gz UGXYJEPSIZBQPJ-AZUAARDMSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@H+](C)CC2=CCCCC2)C1 ZINC001074064904 1356062896 /nfs/dbraw/zinc/06/28/96/1356062896.db2.gz UGXYJEPSIZBQPJ-AZUAARDMSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2=CCCCC2)C1 ZINC001074064904 1356062901 /nfs/dbraw/zinc/06/29/01/1356062901.db2.gz UGXYJEPSIZBQPJ-AZUAARDMSA-N 2 1 347.547 3.142 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001074687827 1356224594 /nfs/dbraw/zinc/22/45/94/1356224594.db2.gz VQGJVOKAYCJOFM-ZWOKBUDYSA-N 2 1 343.515 3.119 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001075457100 1356389198 /nfs/dbraw/zinc/38/91/98/1356389198.db2.gz JXWNMCYSYNZDDD-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)CC1 ZINC001075458605 1356390455 /nfs/dbraw/zinc/39/04/55/1356390455.db2.gz LDUPLHWVZIIGLX-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)CC1 ZINC001075461463 1356395212 /nfs/dbraw/zinc/39/52/12/1356395212.db2.gz HWDLKAVDDORUCJ-IBGZPJMESA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+](CC)CC2)CC1 ZINC001075461969 1356396270 /nfs/dbraw/zinc/39/62/70/1356396270.db2.gz XTXFYBJPBZIEIF-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](CC)CC2)CC1 ZINC001075461969 1356396275 /nfs/dbraw/zinc/39/62/75/1356396275.db2.gz XTXFYBJPBZIEIF-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](CC)CC2)CC1 ZINC001075461969 1356396279 /nfs/dbraw/zinc/39/62/79/1356396279.db2.gz XTXFYBJPBZIEIF-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(CC)CC)C[C@H]32)C1 ZINC001076161797 1356510126 /nfs/dbraw/zinc/51/01/26/1356510126.db2.gz TVMPZDXDLFYYSQ-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(CC)CC)C[C@H]32)C1 ZINC001076161797 1356510127 /nfs/dbraw/zinc/51/01/27/1356510127.db2.gz TVMPZDXDLFYYSQ-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(CC)CC)C[C@H]32)C1 ZINC001076161797 1356510132 /nfs/dbraw/zinc/51/01/32/1356510132.db2.gz TVMPZDXDLFYYSQ-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001183256061 1387286314 /nfs/dbraw/zinc/28/63/14/1387286314.db2.gz QIWMXNHVVJEXCC-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099126847 1363639730 /nfs/dbraw/zinc/63/97/30/1363639730.db2.gz YLXIFUPEWFRFHQ-IHVSBYRNSA-N 2 1 337.552 3.290 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCC(C)C)C[C@H]2C)o1 ZINC001081028396 1357786959 /nfs/dbraw/zinc/78/69/59/1357786959.db2.gz GDOWAARQTBSGBN-SJLPKXTDSA-N 2 1 349.519 3.218 20 0 EGADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCC1CCCCC1 ZINC001082570328 1358058072 /nfs/dbraw/zinc/05/80/72/1358058072.db2.gz HGFWHXHTIDMXFW-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701554 1358287501 /nfs/dbraw/zinc/28/75/01/1358287501.db2.gz IWSWOQSGKYKKSQ-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084701554 1358287505 /nfs/dbraw/zinc/28/75/05/1358287505.db2.gz IWSWOQSGKYKKSQ-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084701554 1358287506 /nfs/dbraw/zinc/28/75/06/1358287506.db2.gz IWSWOQSGKYKKSQ-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853165 1358328491 /nfs/dbraw/zinc/32/84/91/1358328491.db2.gz OTJRECLDJCOFQU-VAMGGRTRSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958443 1358355079 /nfs/dbraw/zinc/35/50/79/1358355079.db2.gz ZMARXLZSSJHDMG-AQNXPRMDSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084958443 1358355080 /nfs/dbraw/zinc/35/50/80/1358355080.db2.gz ZMARXLZSSJHDMG-AQNXPRMDSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084958443 1358355081 /nfs/dbraw/zinc/35/50/81/1358355081.db2.gz ZMARXLZSSJHDMG-AQNXPRMDSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCC3CCCC3)[C@H]2C1)[NH+](C)C ZINC001084964675 1358355938 /nfs/dbraw/zinc/35/59/38/1358355938.db2.gz KUDLGYGIFDQWGK-AABGKKOBSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001085067183 1358382011 /nfs/dbraw/zinc/38/20/11/1358382011.db2.gz VDHSUDCHUDJPDB-NSHGMRRFSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001085196885 1358431369 /nfs/dbraw/zinc/43/13/69/1358431369.db2.gz RKOYWKSLTCFVSB-GUDVDZBRSA-N 2 1 349.563 3.312 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC001085217425 1358436187 /nfs/dbraw/zinc/43/61/87/1358436187.db2.gz AWGZPVUFIKWADD-AQNXPRMDSA-N 2 1 343.515 3.078 20 0 EGADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085225073 1358437910 /nfs/dbraw/zinc/43/79/10/1358437910.db2.gz HGLMEPTZLPFPLS-VAMGGRTRSA-N 2 1 347.547 3.211 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C)cs1 ZINC001085246018 1358443169 /nfs/dbraw/zinc/44/31/69/1358443169.db2.gz YTSYWHZIEXBADY-KZNAEPCWSA-N 2 1 349.544 3.058 20 0 EGADMP Cc1ccc2ncc(C[N@H+]3CCC[C@H]3CNc3cccc(C)n3)n2c1 ZINC001323324548 1387338447 /nfs/dbraw/zinc/33/84/47/1387338447.db2.gz XFHFDTLNKASMIU-KRWDZBQOSA-N 2 1 335.455 3.423 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001085593572 1358619886 /nfs/dbraw/zinc/61/98/86/1358619886.db2.gz MITYCVHQGLFQLY-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001085593572 1358619893 /nfs/dbraw/zinc/61/98/93/1358619893.db2.gz MITYCVHQGLFQLY-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001085593572 1358619896 /nfs/dbraw/zinc/61/98/96/1358619896.db2.gz MITYCVHQGLFQLY-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085622679 1358642695 /nfs/dbraw/zinc/64/26/95/1358642695.db2.gz BEYBKIHNQGAFHW-GOEBONIOSA-N 2 1 337.533 3.002 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001085622679 1358642697 /nfs/dbraw/zinc/64/26/97/1358642697.db2.gz BEYBKIHNQGAFHW-GOEBONIOSA-N 2 1 337.533 3.002 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCC2CCC2)C1 ZINC001085639837 1358652461 /nfs/dbraw/zinc/65/24/61/1358652461.db2.gz XDGULNHCPRYXAL-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCC2CCC2)C1 ZINC001085639837 1358652466 /nfs/dbraw/zinc/65/24/66/1358652466.db2.gz XDGULNHCPRYXAL-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCCC2CCC2)C1 ZINC001085639837 1358652472 /nfs/dbraw/zinc/65/24/72/1358652472.db2.gz XDGULNHCPRYXAL-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085782624 1358758863 /nfs/dbraw/zinc/75/88/63/1358758863.db2.gz ZDQMUZSUGHULBO-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085782624 1358758866 /nfs/dbraw/zinc/75/88/66/1358758866.db2.gz ZDQMUZSUGHULBO-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782624 1358758870 /nfs/dbraw/zinc/75/88/70/1358758870.db2.gz ZDQMUZSUGHULBO-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782624 1358758875 /nfs/dbraw/zinc/75/88/75/1358758875.db2.gz ZDQMUZSUGHULBO-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC(C)(C)C ZINC001085856361 1358824722 /nfs/dbraw/zinc/82/47/22/1358824722.db2.gz XGBSYAVBZRWZAS-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001085856361 1358824726 /nfs/dbraw/zinc/82/47/26/1358824726.db2.gz XGBSYAVBZRWZAS-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001085856361 1358824732 /nfs/dbraw/zinc/82/47/32/1358824732.db2.gz XGBSYAVBZRWZAS-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085918308 1358878663 /nfs/dbraw/zinc/87/86/63/1358878663.db2.gz ZLUBNRVBKYZDJV-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC001086122814 1359002888 /nfs/dbraw/zinc/00/28/88/1359002888.db2.gz ZECLESJSAFSQRG-MDNKFWRPSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086134211 1359005537 /nfs/dbraw/zinc/00/55/37/1359005537.db2.gz VRTGUVKOGMWWAP-HSALFYBXSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086217025 1359030920 /nfs/dbraw/zinc/03/09/20/1359030920.db2.gz KOLGEXFZRIMWJL-ZCNNSNEGSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086364659 1359078279 /nfs/dbraw/zinc/07/82/79/1359078279.db2.gz MGUPTSHFVQADAQ-WFAGLZIHSA-N 2 1 349.563 3.170 20 0 EGADMP Cc1c(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc2c[nH+]cn21 ZINC001323522089 1387381591 /nfs/dbraw/zinc/38/15/91/1387381591.db2.gz NFMDJSKDFRBVPI-IYBDPMFKSA-N 2 1 342.487 3.131 20 0 EGADMP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001087201260 1359319284 /nfs/dbraw/zinc/31/92/84/1359319284.db2.gz IOTJIKJDMWBGMQ-HOJAQTOUSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C[NH2+]CC2CCCC2)C1 ZINC001087212275 1359323034 /nfs/dbraw/zinc/32/30/34/1359323034.db2.gz UNCRCRPRECXMKT-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@H]21 ZINC001087309165 1359396313 /nfs/dbraw/zinc/39/63/13/1359396313.db2.gz BQWVENUYDAPQNY-HOJAQTOUSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCC3CCC3)[C@@H]2CC)CC[NH+]1C ZINC001087578726 1359539321 /nfs/dbraw/zinc/53/93/21/1359539321.db2.gz LKKJUXWSZKBKDH-VNTMZGSJSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC[NH+]1CCCC1CCC1 ZINC001087578726 1359539322 /nfs/dbraw/zinc/53/93/22/1359539322.db2.gz LKKJUXWSZKBKDH-VNTMZGSJSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC[NH+]1CCCC1CCC1 ZINC001087578726 1359539328 /nfs/dbraw/zinc/53/93/28/1359539328.db2.gz LKKJUXWSZKBKDH-VNTMZGSJSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1csc(C)c1 ZINC001087625986 1359562005 /nfs/dbraw/zinc/56/20/05/1359562005.db2.gz DDIQYSFAANKFNL-RCCFBDPRSA-N 2 1 349.544 3.010 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1csc(C)c1 ZINC001087625986 1359562008 /nfs/dbraw/zinc/56/20/08/1359562008.db2.gz DDIQYSFAANKFNL-RCCFBDPRSA-N 2 1 349.544 3.010 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1csc(C)c1 ZINC001087625986 1359562012 /nfs/dbraw/zinc/56/20/12/1359562012.db2.gz DDIQYSFAANKFNL-RCCFBDPRSA-N 2 1 349.544 3.010 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1csc(C)c1 ZINC001087625986 1359562027 /nfs/dbraw/zinc/56/20/27/1359562027.db2.gz DDIQYSFAANKFNL-RCCFBDPRSA-N 2 1 349.544 3.010 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@H+]1Cc1csc(C)c1 ZINC001087726016 1359614308 /nfs/dbraw/zinc/61/43/08/1359614308.db2.gz OATOPVNEVCYPJV-FHLIZLRMSA-N 2 1 349.544 3.010 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC[NH+]1Cc1csc(C)c1 ZINC001087726016 1359614313 /nfs/dbraw/zinc/61/43/13/1359614313.db2.gz OATOPVNEVCYPJV-FHLIZLRMSA-N 2 1 349.544 3.010 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC[NH+]1Cc1csc(C)c1 ZINC001087726016 1359614315 /nfs/dbraw/zinc/61/43/15/1359614315.db2.gz OATOPVNEVCYPJV-FHLIZLRMSA-N 2 1 349.544 3.010 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC[N@H+]1CCC(C)C ZINC001087749624 1359626710 /nfs/dbraw/zinc/62/67/10/1359626710.db2.gz RUZPLLACOAGLAO-OTWHNJEPSA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC[NH+]1CCC(C)C ZINC001087749624 1359626712 /nfs/dbraw/zinc/62/67/12/1359626712.db2.gz RUZPLLACOAGLAO-OTWHNJEPSA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC[NH+]1CCC(C)C ZINC001087749624 1359626715 /nfs/dbraw/zinc/62/67/15/1359626715.db2.gz RUZPLLACOAGLAO-OTWHNJEPSA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@@H+]1CCC1CCCCC1 ZINC001087830206 1359668427 /nfs/dbraw/zinc/66/84/27/1359668427.db2.gz TUDMJJGBYQNQAE-RBUKOAKNSA-N 2 1 346.519 3.131 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@H+]1CCC1CCCCC1 ZINC001087830206 1359668430 /nfs/dbraw/zinc/66/84/30/1359668430.db2.gz TUDMJJGBYQNQAE-RBUKOAKNSA-N 2 1 346.519 3.131 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@H+]1Cc1ccccc1 ZINC001087840589 1359673548 /nfs/dbraw/zinc/67/35/48/1359673548.db2.gz DTSYJWUPLYHMDP-ZCNNSNEGSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC[NH+]1Cc1ccccc1 ZINC001087840589 1359673552 /nfs/dbraw/zinc/67/35/52/1359673552.db2.gz DTSYJWUPLYHMDP-ZCNNSNEGSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC[NH+]1Cc1ccccc1 ZINC001087840589 1359673554 /nfs/dbraw/zinc/67/35/54/1359673554.db2.gz DTSYJWUPLYHMDP-ZCNNSNEGSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1C/C=C/Cl ZINC001087840926 1359674803 /nfs/dbraw/zinc/67/48/03/1359674803.db2.gz UUTSEXFPSAUZMM-UXTUSRMKSA-N 2 1 349.906 3.083 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@H+]1CCC(C)(C)C ZINC001087840944 1359675128 /nfs/dbraw/zinc/67/51/28/1359675128.db2.gz VYGNITPCZXIFHD-KSZLIROESA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC[NH+]1CCC(C)(C)C ZINC001087840944 1359675131 /nfs/dbraw/zinc/67/51/31/1359675131.db2.gz VYGNITPCZXIFHD-KSZLIROESA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC[NH+]1CCC(C)(C)C ZINC001087840944 1359675133 /nfs/dbraw/zinc/67/51/33/1359675133.db2.gz VYGNITPCZXIFHD-KSZLIROESA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCCC[C@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001088382017 1359865101 /nfs/dbraw/zinc/86/51/01/1359865101.db2.gz RYEZDECRYFIZPC-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001088431530 1359899484 /nfs/dbraw/zinc/89/94/84/1359899484.db2.gz YUKBLXKISPGWLD-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1C ZINC001088621628 1359994262 /nfs/dbraw/zinc/99/42/62/1359994262.db2.gz MNXUCEWXYXRDKE-RLLQIKCJSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC001088621628 1359994266 /nfs/dbraw/zinc/99/42/66/1359994266.db2.gz MNXUCEWXYXRDKE-RLLQIKCJSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC001088621628 1359994270 /nfs/dbraw/zinc/99/42/70/1359994270.db2.gz MNXUCEWXYXRDKE-RLLQIKCJSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CCC1CCCCC1 ZINC001088939511 1360108420 /nfs/dbraw/zinc/10/84/20/1360108420.db2.gz UREMBKNXLUTTLL-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001089060711 1360152337 /nfs/dbraw/zinc/15/23/37/1360152337.db2.gz CPGJOLNXKWOATH-NEWSRXKRSA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001089060711 1360152339 /nfs/dbraw/zinc/15/23/39/1360152339.db2.gz CPGJOLNXKWOATH-NEWSRXKRSA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001089060711 1360152342 /nfs/dbraw/zinc/15/23/42/1360152342.db2.gz CPGJOLNXKWOATH-NEWSRXKRSA-N 2 1 347.547 3.020 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001089226349 1360267814 /nfs/dbraw/zinc/26/78/14/1360267814.db2.gz GSCLAGLTMPACMW-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCC1)C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001089226349 1360267820 /nfs/dbraw/zinc/26/78/20/1360267820.db2.gz GSCLAGLTMPACMW-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCC1)C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001089226349 1360267823 /nfs/dbraw/zinc/26/78/23/1360267823.db2.gz GSCLAGLTMPACMW-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001089252736 1360283940 /nfs/dbraw/zinc/28/39/40/1360283940.db2.gz VBLUPJYWVBJTKP-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001089252736 1360283941 /nfs/dbraw/zinc/28/39/41/1360283941.db2.gz VBLUPJYWVBJTKP-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001089252736 1360283946 /nfs/dbraw/zinc/28/39/46/1360283946.db2.gz VBLUPJYWVBJTKP-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](C(C)C)CC(C)(C)C1 ZINC001089405770 1360404675 /nfs/dbraw/zinc/40/46/75/1360404675.db2.gz DULYYXHKRWICDU-ZWKOTPCHSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](C(C)C)CC(C)(C)C1 ZINC001089405770 1360404676 /nfs/dbraw/zinc/40/46/76/1360404676.db2.gz DULYYXHKRWICDU-ZWKOTPCHSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](C(C)C)CC(C)(C)C1 ZINC001089405770 1360404680 /nfs/dbraw/zinc/40/46/80/1360404680.db2.gz DULYYXHKRWICDU-ZWKOTPCHSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089407277 1360405962 /nfs/dbraw/zinc/40/59/62/1360405962.db2.gz XUHYUSMVPPZDPC-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089407277 1360405964 /nfs/dbraw/zinc/40/59/64/1360405964.db2.gz XUHYUSMVPPZDPC-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089407277 1360405965 /nfs/dbraw/zinc/40/59/65/1360405965.db2.gz XUHYUSMVPPZDPC-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089428028 1360420252 /nfs/dbraw/zinc/42/02/52/1360420252.db2.gz VPSHWQAWQPTZRZ-MOPGFXCFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089428028 1360420254 /nfs/dbraw/zinc/42/02/54/1360420254.db2.gz VPSHWQAWQPTZRZ-MOPGFXCFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089428028 1360420255 /nfs/dbraw/zinc/42/02/55/1360420255.db2.gz VPSHWQAWQPTZRZ-MOPGFXCFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089441672 1360431413 /nfs/dbraw/zinc/43/14/13/1360431413.db2.gz JOHVKWUIXWJSTH-KRWDZBQOSA-N 2 1 342.487 3.211 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089458566 1360445090 /nfs/dbraw/zinc/44/50/90/1360445090.db2.gz MEGITGLFJJIHJY-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089504013 1360477416 /nfs/dbraw/zinc/47/74/16/1360477416.db2.gz XEAOPIZUFQIFBN-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089504013 1360477418 /nfs/dbraw/zinc/47/74/18/1360477418.db2.gz XEAOPIZUFQIFBN-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCCC3CCC3)CC(C)(C)C2)C1 ZINC001089558193 1360506659 /nfs/dbraw/zinc/50/66/59/1360506659.db2.gz FPEGRMOVUNIUHE-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CCCC3CCC3)CC(C)(C)C2)C1 ZINC001089558193 1360506662 /nfs/dbraw/zinc/50/66/62/1360506662.db2.gz FPEGRMOVUNIUHE-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCC3CCC3)CC(C)(C)C2)C1 ZINC001089558193 1360506666 /nfs/dbraw/zinc/50/66/66/1360506666.db2.gz FPEGRMOVUNIUHE-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCCCC1 ZINC001089615745 1360536087 /nfs/dbraw/zinc/53/60/87/1360536087.db2.gz BERDADAZIVNNJM-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCCCC1 ZINC001089615745 1360536093 /nfs/dbraw/zinc/53/60/93/1360536093.db2.gz BERDADAZIVNNJM-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCCCC1 ZINC001089615745 1360536097 /nfs/dbraw/zinc/53/60/97/1360536097.db2.gz BERDADAZIVNNJM-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CCCC1 ZINC001089617372 1360536846 /nfs/dbraw/zinc/53/68/46/1360536846.db2.gz ZUSPKTFUYMCFKS-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC1CCCC1 ZINC001089617372 1360536848 /nfs/dbraw/zinc/53/68/48/1360536848.db2.gz ZUSPKTFUYMCFKS-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC1CCCC1 ZINC001089617372 1360536854 /nfs/dbraw/zinc/53/68/54/1360536854.db2.gz ZUSPKTFUYMCFKS-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089639164 1360552646 /nfs/dbraw/zinc/55/26/46/1360552646.db2.gz OYBQBFNEIOGXBW-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001089639164 1360552649 /nfs/dbraw/zinc/55/26/49/1360552649.db2.gz OYBQBFNEIOGXBW-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001089639164 1360552653 /nfs/dbraw/zinc/55/26/53/1360552653.db2.gz OYBQBFNEIOGXBW-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001089659211 1360570584 /nfs/dbraw/zinc/57/05/84/1360570584.db2.gz VKMSREIBSIFPHH-MSOLQXFVSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001089659211 1360570586 /nfs/dbraw/zinc/57/05/86/1360570586.db2.gz VKMSREIBSIFPHH-MSOLQXFVSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089659211 1360570588 /nfs/dbraw/zinc/57/05/88/1360570588.db2.gz VKMSREIBSIFPHH-MSOLQXFVSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089659211 1360570593 /nfs/dbraw/zinc/57/05/93/1360570593.db2.gz VKMSREIBSIFPHH-MSOLQXFVSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089662842 1360573307 /nfs/dbraw/zinc/57/33/07/1360573307.db2.gz GKEULCREWHWIBE-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001089662842 1360573309 /nfs/dbraw/zinc/57/33/09/1360573309.db2.gz GKEULCREWHWIBE-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001089662842 1360573310 /nfs/dbraw/zinc/57/33/10/1360573310.db2.gz GKEULCREWHWIBE-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089686547 1360592504 /nfs/dbraw/zinc/59/25/04/1360592504.db2.gz VGLWYURSRXPCNI-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001089686547 1360592505 /nfs/dbraw/zinc/59/25/05/1360592505.db2.gz VGLWYURSRXPCNI-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001089686547 1360592506 /nfs/dbraw/zinc/59/25/06/1360592506.db2.gz VGLWYURSRXPCNI-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001091026091 1360982345 /nfs/dbraw/zinc/98/23/45/1360982345.db2.gz HQWDMCXCBLACCI-SOAGJPPSSA-N 2 1 347.547 3.234 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001093806300 1361699828 /nfs/dbraw/zinc/69/98/28/1361699828.db2.gz VKBOAKFFXBJGRO-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001324075258 1387530231 /nfs/dbraw/zinc/53/02/31/1387530231.db2.gz PVRATYIRUWLHGF-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)c3occc3C[NH+](C)C)CCC[C@@H]12 ZINC001094498498 1361831175 /nfs/dbraw/zinc/83/11/75/1361831175.db2.gz KBRLVXIAYJKJCK-YLJYHZDGSA-N 2 1 347.503 3.116 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001095417158 1362133542 /nfs/dbraw/zinc/13/35/42/1362133542.db2.gz ILKZKQVROFWDCS-RNQOJCNYSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001095417158 1362133544 /nfs/dbraw/zinc/13/35/44/1362133544.db2.gz ILKZKQVROFWDCS-RNQOJCNYSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001095417158 1362133546 /nfs/dbraw/zinc/13/35/46/1362133546.db2.gz ILKZKQVROFWDCS-RNQOJCNYSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)[NH+]1CCCCCC1 ZINC001096101462 1362382922 /nfs/dbraw/zinc/38/29/22/1362382922.db2.gz XCEVGJGIXNGMDY-RNQOJCNYSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001097405618 1362974946 /nfs/dbraw/zinc/97/49/46/1362974946.db2.gz OLYVFUJPLGZARC-AKHDSKFASA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001097405618 1362974948 /nfs/dbraw/zinc/97/49/48/1362974948.db2.gz OLYVFUJPLGZARC-AKHDSKFASA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001097405618 1362974950 /nfs/dbraw/zinc/97/49/50/1362974950.db2.gz OLYVFUJPLGZARC-AKHDSKFASA-N 2 1 349.563 3.265 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCC2)C1 ZINC001097852574 1363142229 /nfs/dbraw/zinc/14/22/29/1363142229.db2.gz CKWYFZJRLPZSBU-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCC2)C1 ZINC001097852574 1363142233 /nfs/dbraw/zinc/14/22/33/1363142233.db2.gz CKWYFZJRLPZSBU-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCC2)C1 ZINC001097852574 1363142235 /nfs/dbraw/zinc/14/22/35/1363142235.db2.gz CKWYFZJRLPZSBU-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001098037695 1363203816 /nfs/dbraw/zinc/20/38/16/1363203816.db2.gz ZINDPHUGSUPPRM-XLNTUCKNSA-N 2 1 343.515 3.129 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001099069980 1363606774 /nfs/dbraw/zinc/60/67/74/1363606774.db2.gz QNSNKMKJCJSYBZ-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](F)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130019 1363641946 /nfs/dbraw/zinc/64/19/46/1363641946.db2.gz HBWXENNQWCKLGI-CVEARBPZSA-N 2 1 343.531 3.072 20 0 EGADMP CC[C@@H](F)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130019 1363641950 /nfs/dbraw/zinc/64/19/50/1363641950.db2.gz HBWXENNQWCKLGI-CVEARBPZSA-N 2 1 343.531 3.072 20 0 EGADMP CC[C@@H](F)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@H+](C)CC ZINC001099130019 1363641951 /nfs/dbraw/zinc/64/19/51/1363641951.db2.gz HBWXENNQWCKLGI-CVEARBPZSA-N 2 1 343.531 3.072 20 0 EGADMP CC[C@@H](F)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001099130019 1363641957 /nfs/dbraw/zinc/64/19/57/1363641957.db2.gz HBWXENNQWCKLGI-CVEARBPZSA-N 2 1 343.531 3.072 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001099154563 1363660397 /nfs/dbraw/zinc/66/03/97/1363660397.db2.gz ZQILRGRMRFEVQN-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001099200258 1363689660 /nfs/dbraw/zinc/68/96/60/1363689660.db2.gz XZFXBUKFVMCGEG-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099236291 1363706892 /nfs/dbraw/zinc/70/68/92/1363706892.db2.gz ZMNACCAGSWRPPT-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001099236291 1363706893 /nfs/dbraw/zinc/70/68/93/1363706893.db2.gz ZMNACCAGSWRPPT-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001099236291 1363706898 /nfs/dbraw/zinc/70/68/98/1363706898.db2.gz ZMNACCAGSWRPPT-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1=CCCCC1)[NH+](C)C ZINC001099240503 1363709321 /nfs/dbraw/zinc/70/93/21/1363709321.db2.gz RVPTWUPQICFVRA-MOPGFXCFSA-N 2 1 349.563 3.434 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1=CCCCC1 ZINC001099299428 1363737789 /nfs/dbraw/zinc/73/77/89/1363737789.db2.gz UEXCDHHIXIWAFT-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1=CCCCC1 ZINC001099299428 1363737791 /nfs/dbraw/zinc/73/77/91/1363737791.db2.gz UEXCDHHIXIWAFT-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1=CCCCC1 ZINC001099299428 1363737793 /nfs/dbraw/zinc/73/77/93/1363737793.db2.gz UEXCDHHIXIWAFT-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001099298970 1363738149 /nfs/dbraw/zinc/73/81/49/1363738149.db2.gz PKIOXYCWSBSJEA-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CCC(CC)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001099298970 1363738151 /nfs/dbraw/zinc/73/81/51/1363738151.db2.gz PKIOXYCWSBSJEA-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CCC(CC)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001099298970 1363738155 /nfs/dbraw/zinc/73/81/55/1363738155.db2.gz PKIOXYCWSBSJEA-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1C/C=C\Cl ZINC001099310671 1363743527 /nfs/dbraw/zinc/74/35/27/1363743527.db2.gz SGLGLPBZFWWWEF-UBAGTECSSA-N 2 1 343.943 3.078 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099311277 1363744564 /nfs/dbraw/zinc/74/45/64/1363744564.db2.gz ZKRBVLWZPWGXJO-HMTUNPETSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001099311277 1363744567 /nfs/dbraw/zinc/74/45/67/1363744567.db2.gz ZKRBVLWZPWGXJO-HMTUNPETSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001099311277 1363744569 /nfs/dbraw/zinc/74/45/69/1363744569.db2.gz ZKRBVLWZPWGXJO-HMTUNPETSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC(CC)CC ZINC001099319967 1363747697 /nfs/dbraw/zinc/74/76/97/1363747697.db2.gz GRGLYEOGNKZSAJ-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(CC)CC ZINC001099319967 1363747701 /nfs/dbraw/zinc/74/77/01/1363747701.db2.gz GRGLYEOGNKZSAJ-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(CC)CC ZINC001099319967 1363747705 /nfs/dbraw/zinc/74/77/05/1363747705.db2.gz GRGLYEOGNKZSAJ-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1C[C@H](F)CC ZINC001099320974 1363748327 /nfs/dbraw/zinc/74/83/27/1363748327.db2.gz NIHOVTWLFSXCFN-SJORKVTESA-N 2 1 343.531 3.073 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1C[C@H](F)CC ZINC001099320974 1363748329 /nfs/dbraw/zinc/74/83/29/1363748329.db2.gz NIHOVTWLFSXCFN-SJORKVTESA-N 2 1 343.531 3.073 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1C[C@H](F)CC ZINC001099320974 1363748333 /nfs/dbraw/zinc/74/83/33/1363748333.db2.gz NIHOVTWLFSXCFN-SJORKVTESA-N 2 1 343.531 3.073 20 0 EGADMP CC1(C)CC[C@@H](CNC(=O)C[NH+]2CCCC2)[N@@H+](CCC2CCCC2)C1 ZINC001099340194 1363760368 /nfs/dbraw/zinc/76/03/68/1363760368.db2.gz QPMILQGOMJUISI-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[C@H](CNC(=O)CCC[NH+]2CCCC2)[N@@H+](CCC2CC2)C1 ZINC001099354545 1363769390 /nfs/dbraw/zinc/76/93/90/1363769390.db2.gz UPIYDWWATGQFAD-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185224750 1387656178 /nfs/dbraw/zinc/65/61/78/1387656178.db2.gz HLYXQTIOEWVKHY-ROUUACIJSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001100405755 1364104212 /nfs/dbraw/zinc/10/42/12/1364104212.db2.gz LOVLKCWORZFUIA-FAFZWHIHSA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001100456981 1364120724 /nfs/dbraw/zinc/12/07/24/1364120724.db2.gz LXRPWODNDTWGSR-KSTDHSDQSA-N 2 1 349.494 3.101 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001100536101 1364151015 /nfs/dbraw/zinc/15/10/15/1364151015.db2.gz KCGGLNLVAARFFY-WWDZGPRUSA-N 2 1 337.552 3.172 20 0 EGADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CCC3CCCCCC3)C[C@@]2(C)C1 ZINC001101351522 1364522352 /nfs/dbraw/zinc/52/23/52/1364522352.db2.gz IWEKNBPRCMVMKR-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101487267 1364579627 /nfs/dbraw/zinc/57/96/27/1364579627.db2.gz VKTKQYAJJLFGAY-ZVDOUQERSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001101548003 1364611842 /nfs/dbraw/zinc/61/18/42/1364611842.db2.gz ZDNVPSOMSRKYKT-UHFFFAOYSA-N 2 1 349.563 3.291 20 0 EGADMP CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001101597396 1364648377 /nfs/dbraw/zinc/64/83/77/1364648377.db2.gz JDJYUEWPQNWPOZ-LJQANCHMSA-N 2 1 345.531 3.164 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C ZINC001101985082 1364800004 /nfs/dbraw/zinc/80/00/04/1364800004.db2.gz ZDGJXMDVZYLDSR-FGTMMUONSA-N 2 1 348.535 3.127 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001101985082 1364800009 /nfs/dbraw/zinc/80/00/09/1364800009.db2.gz ZDGJXMDVZYLDSR-FGTMMUONSA-N 2 1 348.535 3.127 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102045091 1364821959 /nfs/dbraw/zinc/82/19/59/1364821959.db2.gz REENEFUKUAMUFJ-VJQBDMSCSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102045091 1364821962 /nfs/dbraw/zinc/82/19/62/1364821962.db2.gz REENEFUKUAMUFJ-VJQBDMSCSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001102045091 1364821967 /nfs/dbraw/zinc/82/19/67/1364821967.db2.gz REENEFUKUAMUFJ-VJQBDMSCSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C)[NH+](C)C ZINC001102071315 1364836685 /nfs/dbraw/zinc/83/66/85/1364836685.db2.gz JVVHJJFOFJBXCN-KURKYZTESA-N 2 1 339.568 3.083 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102430446 1365050515 /nfs/dbraw/zinc/05/05/15/1365050515.db2.gz QRMPSSQGPOCMPL-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@H](C)c2ccccc2C)C[C@H]1C ZINC001102496163 1365087018 /nfs/dbraw/zinc/08/70/18/1365087018.db2.gz HMWGQADBWPIJKK-GUDVDZBRSA-N 2 1 345.531 3.082 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2C)C[C@H]1C ZINC001102496163 1365087022 /nfs/dbraw/zinc/08/70/22/1365087022.db2.gz HMWGQADBWPIJKK-GUDVDZBRSA-N 2 1 345.531 3.082 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+]([C@H](C)c2ccccc2C)C[C@H]1C ZINC001102496163 1365087024 /nfs/dbraw/zinc/08/70/24/1365087024.db2.gz HMWGQADBWPIJKK-GUDVDZBRSA-N 2 1 345.531 3.082 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102601408 1365131387 /nfs/dbraw/zinc/13/13/87/1365131387.db2.gz BPLPUCVCTQXMGM-VAMGGRTRSA-N 2 1 349.563 3.147 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001103192448 1365428816 /nfs/dbraw/zinc/42/88/16/1365428816.db2.gz TWWRZIXOIMBESX-SJLPKXTDSA-N 2 1 342.487 3.068 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CCC(C)(C)C)[C@@H](C)C1 ZINC001185550165 1387745886 /nfs/dbraw/zinc/74/58/86/1387745886.db2.gz STLQUCDBMPTMSS-ZWKOTPCHSA-N 2 1 339.568 3.229 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001103232241 1365446774 /nfs/dbraw/zinc/44/67/74/1365446774.db2.gz CRSHVZAIIXMMOM-GVDBMIGSSA-N 2 1 342.487 3.068 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC001185550533 1387746036 /nfs/dbraw/zinc/74/60/36/1387746036.db2.gz UGAOCVPDKPVWNU-ZWKOTPCHSA-N 2 1 339.568 3.229 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103379048 1365525531 /nfs/dbraw/zinc/52/55/31/1365525531.db2.gz XRJCFMOPBKCYLH-YZBXUTEPSA-N 2 1 337.552 3.149 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103654866 1365705411 /nfs/dbraw/zinc/70/54/11/1365705411.db2.gz GCIATDVDEGKQJZ-RTBURBONSA-N 2 1 339.568 3.229 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1 ZINC001103753628 1365765210 /nfs/dbraw/zinc/76/52/10/1365765210.db2.gz RVRHQHWYZCHEEO-UYAOXDASSA-N 2 1 349.563 3.127 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CCCC1CCCC1 ZINC001104000107 1365867622 /nfs/dbraw/zinc/86/76/22/1365867622.db2.gz VTUSOBIANAZZMU-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104291780 1365977631 /nfs/dbraw/zinc/97/76/31/1365977631.db2.gz VFYVENXWXZMBLJ-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]CCC1CCCC1 ZINC001104355354 1365984278 /nfs/dbraw/zinc/98/42/78/1365984278.db2.gz YRLGMGDNPGCZAE-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001324817435 1387782647 /nfs/dbraw/zinc/78/26/47/1387782647.db2.gz IJWZQPFAQLDMBB-JXFKEZNVSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+][C@@H](CC)c2ccccc2)C1 ZINC001324817310 1387782789 /nfs/dbraw/zinc/78/27/89/1387782789.db2.gz FTUZMJJHIIWGGX-FPOVZHCZSA-N 2 1 345.531 3.308 20 0 EGADMP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001185707202 1387783381 /nfs/dbraw/zinc/78/33/81/1387783381.db2.gz YWDLCBRKILVJEX-RTBURBONSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001185763528 1387792973 /nfs/dbraw/zinc/79/29/73/1387792973.db2.gz SQAHNGPOMVDMRQ-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1C ZINC001104958134 1366242018 /nfs/dbraw/zinc/24/20/18/1366242018.db2.gz GLMKDVQVGUCHHQ-SBHAEUEKSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1(C)CC[NH+](CCC2CC2)CC1 ZINC001324893521 1387808299 /nfs/dbraw/zinc/80/82/99/1387808299.db2.gz SXQSURPACBRVSU-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)CCC1 ZINC001105549231 1366524680 /nfs/dbraw/zinc/52/46/80/1366524680.db2.gz FEKJPHFTNOGDAK-GOSISDBHSA-N 2 1 346.519 3.133 20 0 EGADMP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105575440 1366540470 /nfs/dbraw/zinc/54/04/70/1366540470.db2.gz ZEAVJNMXNFYFBF-RTBURBONSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)CCC1 ZINC001105579807 1366543032 /nfs/dbraw/zinc/54/30/32/1366543032.db2.gz WLXKJZHGLZZXHZ-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106111712 1366612327 /nfs/dbraw/zinc/61/23/27/1366612327.db2.gz PYCCWRXHMGZWTO-DSTKZSRVSA-N 2 1 349.563 3.290 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249415 1366633782 /nfs/dbraw/zinc/63/37/82/1366633782.db2.gz GSECAAZEVYTGPY-GGPKGHCWSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)c2ccccc2)[C@H](C)C1 ZINC001106336692 1366659878 /nfs/dbraw/zinc/65/98/78/1366659878.db2.gz ZUROFNMUHFGTIF-ZIFCJYIRSA-N 2 1 345.531 3.162 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CC(C)C)[C@H](C)C1 ZINC001106339871 1366660567 /nfs/dbraw/zinc/66/05/67/1366660567.db2.gz CUEAMLMEQKHRMB-RCCFBDPRSA-N 2 1 339.568 3.083 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1 ZINC001106715901 1366779528 /nfs/dbraw/zinc/77/95/28/1366779528.db2.gz OOJHLKPCDIXFKC-IAGOWNOFSA-N 2 1 348.535 3.127 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CC(C)C)[C@H](C)C1 ZINC001106905155 1366829222 /nfs/dbraw/zinc/82/92/22/1366829222.db2.gz CLEFEFNEOPOISF-GUDVDZBRSA-N 2 1 339.568 3.085 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439366 1366963677 /nfs/dbraw/zinc/96/36/77/1366963677.db2.gz XVXGUOSUFMLXAK-SVFBPWRDSA-N 2 1 349.563 3.124 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107450528 1366967952 /nfs/dbraw/zinc/96/79/52/1366967952.db2.gz KHUJBOVAEVUDEP-BYZPHCBNSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001107450528 1366967955 /nfs/dbraw/zinc/96/79/55/1366967955.db2.gz KHUJBOVAEVUDEP-BYZPHCBNSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001107450528 1366967959 /nfs/dbraw/zinc/96/79/59/1366967959.db2.gz KHUJBOVAEVUDEP-BYZPHCBNSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107495011 1366994271 /nfs/dbraw/zinc/99/42/71/1366994271.db2.gz FZKJQOVAWDLTQD-YLJYHZDGSA-N 2 1 335.536 3.022 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109263725 1367032665 /nfs/dbraw/zinc/03/26/65/1367032665.db2.gz HGKBEZSLIUBUOL-ZVFVRTEYSA-N 2 1 347.547 3.327 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109263725 1367032671 /nfs/dbraw/zinc/03/26/71/1367032671.db2.gz HGKBEZSLIUBUOL-ZVFVRTEYSA-N 2 1 347.547 3.327 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001109263725 1367032674 /nfs/dbraw/zinc/03/26/74/1367032674.db2.gz HGKBEZSLIUBUOL-ZVFVRTEYSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546925 1367036866 /nfs/dbraw/zinc/03/68/66/1367036866.db2.gz TZQUHLRXICSRBV-LGVOAYDWSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546925 1367036872 /nfs/dbraw/zinc/03/68/72/1367036872.db2.gz TZQUHLRXICSRBV-LGVOAYDWSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546925 1367036877 /nfs/dbraw/zinc/03/68/77/1367036877.db2.gz TZQUHLRXICSRBV-LGVOAYDWSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2=CCCCC2)CCC1 ZINC001109403619 1367106306 /nfs/dbraw/zinc/10/63/06/1367106306.db2.gz QBJIDAVKCDIBCZ-QYZOEREBSA-N 2 1 345.531 3.083 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1)C1CCC1 ZINC001109410866 1367109291 /nfs/dbraw/zinc/10/92/91/1367109291.db2.gz ZCPATZHJXPSDTN-AABGKKOBSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1)C1CCC1 ZINC001109410866 1367109295 /nfs/dbraw/zinc/10/92/95/1367109295.db2.gz ZCPATZHJXPSDTN-AABGKKOBSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1)C1CCC1 ZINC001109410866 1367109299 /nfs/dbraw/zinc/10/92/99/1367109299.db2.gz ZCPATZHJXPSDTN-AABGKKOBSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109419251 1367113346 /nfs/dbraw/zinc/11/33/46/1367113346.db2.gz LDCOSHSVHGWWAG-RDGPPVDQSA-N 2 1 349.563 3.409 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001109419251 1367113349 /nfs/dbraw/zinc/11/33/49/1367113349.db2.gz LDCOSHSVHGWWAG-RDGPPVDQSA-N 2 1 349.563 3.409 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001109419251 1367113350 /nfs/dbraw/zinc/11/33/50/1367113350.db2.gz LDCOSHSVHGWWAG-RDGPPVDQSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560613 1367198564 /nfs/dbraw/zinc/19/85/64/1367198564.db2.gz JEZIVJSOBUMBDC-QYZOEREBSA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCC2)CCCC1 ZINC001109565734 1367202007 /nfs/dbraw/zinc/20/20/07/1367202007.db2.gz ZPKZKIXSNNPFQY-QYZOEREBSA-N 2 1 347.547 3.163 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001186081835 1387861907 /nfs/dbraw/zinc/86/19/07/1387861907.db2.gz BHDUVIILAAMHTI-PWBPZBFBSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001186083194 1387861951 /nfs/dbraw/zinc/86/19/51/1387861951.db2.gz VBYNNHCWAZAGHN-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001190485367 1367274369 /nfs/dbraw/zinc/27/43/69/1367274369.db2.gz ZPOBMNVUJDWKEC-ZSQQTYLHSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001190485367 1367274372 /nfs/dbraw/zinc/27/43/72/1367274372.db2.gz ZPOBMNVUJDWKEC-ZSQQTYLHSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001190485367 1367274375 /nfs/dbraw/zinc/27/43/75/1367274375.db2.gz ZPOBMNVUJDWKEC-ZSQQTYLHSA-N 2 1 335.536 3.140 20 0 EGADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C)[NH+](CC)CC ZINC001109714459 1367289545 /nfs/dbraw/zinc/28/95/45/1367289545.db2.gz LKGYZOMYKIWPKK-HCXYKTFWSA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1)[NH+](CC)CC ZINC001109714664 1367289702 /nfs/dbraw/zinc/28/97/02/1367289702.db2.gz RWJLQSSSRKAHNN-FYQPLNBISA-N 2 1 347.547 3.329 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC(C)(C)CC1)[NH+](C)C ZINC001109733207 1367295071 /nfs/dbraw/zinc/29/50/71/1367295071.db2.gz HVFNQDVPONLYIQ-XWSJACJDSA-N 2 1 349.563 3.265 20 0 EGADMP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001109773140 1367315248 /nfs/dbraw/zinc/31/52/48/1367315248.db2.gz HRFOCSIQWRMMOV-SQNIBIBYSA-N 2 1 346.519 3.308 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001109773140 1367315254 /nfs/dbraw/zinc/31/52/54/1367315254.db2.gz HRFOCSIQWRMMOV-SQNIBIBYSA-N 2 1 346.519 3.308 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCCC3CCC3)C2)C1 ZINC001190655522 1367318688 /nfs/dbraw/zinc/31/86/88/1367318688.db2.gz POJNAUFOSIVRMZ-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCCC3CCC3)C2)C1 ZINC001190655522 1367318692 /nfs/dbraw/zinc/31/86/92/1367318692.db2.gz POJNAUFOSIVRMZ-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCCC3CCC3)C2)C1 ZINC001190655522 1367318699 /nfs/dbraw/zinc/31/86/99/1367318699.db2.gz POJNAUFOSIVRMZ-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798574 1367328510 /nfs/dbraw/zinc/32/85/10/1367328510.db2.gz JDLFKNLBJRRMIZ-CTKDGEJNSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001109798574 1367328513 /nfs/dbraw/zinc/32/85/13/1367328513.db2.gz JDLFKNLBJRRMIZ-CTKDGEJNSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001109798574 1367328522 /nfs/dbraw/zinc/32/85/22/1367328522.db2.gz JDLFKNLBJRRMIZ-CTKDGEJNSA-N 2 1 347.547 3.327 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798451 1367329210 /nfs/dbraw/zinc/32/92/10/1367329210.db2.gz HEJRUIMBZWYDPJ-UOUNDWCUSA-N 2 1 347.547 3.186 20 0 EGADMP CCCC[N@H+]1CCC[C@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001324979943 1387870107 /nfs/dbraw/zinc/87/01/07/1387870107.db2.gz ZKOLMROHURQFQG-OAQYLSRUSA-N 2 1 345.531 3.380 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001190997172 1367398433 /nfs/dbraw/zinc/39/84/33/1367398433.db2.gz RTNICNDGIWUMOM-CRAIPNDOSA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001190997172 1367398439 /nfs/dbraw/zinc/39/84/39/1367398439.db2.gz RTNICNDGIWUMOM-CRAIPNDOSA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001190997172 1367398444 /nfs/dbraw/zinc/39/84/44/1367398444.db2.gz RTNICNDGIWUMOM-CRAIPNDOSA-N 2 1 349.494 3.150 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](CCC)CCC)C2 ZINC001109968973 1367434855 /nfs/dbraw/zinc/43/48/55/1367434855.db2.gz KMLGGTLHOCYQIK-QYZOEREBSA-N 2 1 337.552 3.410 20 0 EGADMP Cc1ccc(NC(=O)CC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1F ZINC001191259193 1367461823 /nfs/dbraw/zinc/46/18/23/1367461823.db2.gz SWKVDYSDEIDDRO-KRWDZBQOSA-N 2 1 335.467 3.269 20 0 EGADMP Cc1ccc(NC(=O)CC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1F ZINC001191259193 1367461826 /nfs/dbraw/zinc/46/18/26/1367461826.db2.gz SWKVDYSDEIDDRO-KRWDZBQOSA-N 2 1 335.467 3.269 20 0 EGADMP Cc1ccc(NC(=O)CC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1F ZINC001191259193 1367461830 /nfs/dbraw/zinc/46/18/30/1367461830.db2.gz SWKVDYSDEIDDRO-KRWDZBQOSA-N 2 1 335.467 3.269 20 0 EGADMP CC(C)CC1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001191495429 1367514126 /nfs/dbraw/zinc/51/41/26/1367514126.db2.gz MGDOCGGMSQRPMP-NRFANRHFSA-N 2 1 330.516 3.382 20 0 EGADMP CC(C)CC1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001191495429 1367514128 /nfs/dbraw/zinc/51/41/28/1367514128.db2.gz MGDOCGGMSQRPMP-NRFANRHFSA-N 2 1 330.516 3.382 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1)[NH+]1CCCCC1 ZINC001110158833 1367531495 /nfs/dbraw/zinc/53/14/95/1367531495.db2.gz VRDHSFBKZADOLB-FUMNGEBKSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160300 1367532553 /nfs/dbraw/zinc/53/25/53/1367532553.db2.gz IXMTYQVTBUDBGR-FYQPLNBISA-N 2 1 343.515 3.057 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160300 1367532556 /nfs/dbraw/zinc/53/25/56/1367532556.db2.gz IXMTYQVTBUDBGR-FYQPLNBISA-N 2 1 343.515 3.057 20 0 EGADMP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160407 1367533153 /nfs/dbraw/zinc/53/31/53/1367533153.db2.gz NOFAUZBCIVRAQG-FUMNGEBKSA-N 2 1 343.515 3.201 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001110160407 1367533155 /nfs/dbraw/zinc/53/31/55/1367533155.db2.gz NOFAUZBCIVRAQG-FUMNGEBKSA-N 2 1 343.515 3.201 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCC)C2 ZINC001108804801 1367606777 /nfs/dbraw/zinc/60/67/77/1367606777.db2.gz YOLFTLFAYMYUEC-AMIRNFFCSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045255 1367673999 /nfs/dbraw/zinc/67/39/99/1367673999.db2.gz BCLLVMTWSWREDI-RTBURBONSA-N 2 1 349.494 3.151 20 0 EGADMP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192598021 1367829821 /nfs/dbraw/zinc/82/98/21/1367829821.db2.gz ZCDKSPJJKAMUNZ-LKGOPFMKSA-N 2 1 346.519 3.286 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192598021 1367829827 /nfs/dbraw/zinc/82/98/27/1367829827.db2.gz ZCDKSPJJKAMUNZ-LKGOPFMKSA-N 2 1 346.519 3.286 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110657899 1367901394 /nfs/dbraw/zinc/90/13/94/1367901394.db2.gz DIVXOTLZOHXPRJ-UXKFTAHHSA-N 2 1 347.547 3.042 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001110657899 1367901397 /nfs/dbraw/zinc/90/13/97/1367901397.db2.gz DIVXOTLZOHXPRJ-UXKFTAHHSA-N 2 1 347.547 3.042 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001110657899 1367901401 /nfs/dbraw/zinc/90/14/01/1367901401.db2.gz DIVXOTLZOHXPRJ-UXKFTAHHSA-N 2 1 347.547 3.042 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CCCCCF)C1 ZINC001192905317 1367901550 /nfs/dbraw/zinc/90/15/50/1367901550.db2.gz DVCITXDOVJMENK-GOSISDBHSA-N 2 1 343.531 3.171 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CCCCCF)C1 ZINC001192905317 1367901551 /nfs/dbraw/zinc/90/15/51/1367901551.db2.gz DVCITXDOVJMENK-GOSISDBHSA-N 2 1 343.531 3.171 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001192905317 1367901555 /nfs/dbraw/zinc/90/15/55/1367901555.db2.gz DVCITXDOVJMENK-GOSISDBHSA-N 2 1 343.531 3.171 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193204254 1367965907 /nfs/dbraw/zinc/96/59/07/1367965907.db2.gz DHMBYEHZJPSIEJ-LJQANCHMSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCC(C)(C)C)C2)CC1 ZINC001193205693 1367966092 /nfs/dbraw/zinc/96/60/92/1367966092.db2.gz USPBVXOCGOCDPF-GOSISDBHSA-N 2 1 337.552 3.076 20 0 EGADMP CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423467 1368025134 /nfs/dbraw/zinc/02/51/34/1368025134.db2.gz ACZPWBXTWVOQMO-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193423467 1368025139 /nfs/dbraw/zinc/02/51/39/1368025139.db2.gz ACZPWBXTWVOQMO-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193423467 1368025144 /nfs/dbraw/zinc/02/51/44/1368025144.db2.gz ACZPWBXTWVOQMO-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC001193569804 1368064166 /nfs/dbraw/zinc/06/41/66/1368064166.db2.gz DQJBDQCQWXIGMM-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C)c(C)c2)C1 ZINC001193600968 1368070586 /nfs/dbraw/zinc/07/05/86/1368070586.db2.gz PJQRWWFYWQMMJR-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001193600968 1368070589 /nfs/dbraw/zinc/07/05/89/1368070589.db2.gz PJQRWWFYWQMMJR-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001193600968 1368070591 /nfs/dbraw/zinc/07/05/91/1368070591.db2.gz PJQRWWFYWQMMJR-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CCC2=CCCCC2)C1 ZINC001193610698 1368073229 /nfs/dbraw/zinc/07/32/29/1368073229.db2.gz PSUMOBOAIAWJHQ-IBGZPJMESA-N 2 1 335.536 3.142 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC001193610698 1368073234 /nfs/dbraw/zinc/07/32/34/1368073234.db2.gz PSUMOBOAIAWJHQ-IBGZPJMESA-N 2 1 335.536 3.142 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC001193610698 1368073238 /nfs/dbraw/zinc/07/32/38/1368073238.db2.gz PSUMOBOAIAWJHQ-IBGZPJMESA-N 2 1 335.536 3.142 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@H](CC)c2ccccc2)C1 ZINC001193609482 1368073889 /nfs/dbraw/zinc/07/38/89/1368073889.db2.gz BJHZZNLUOWCVFN-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@H](CC)c2ccccc2)C1 ZINC001193609482 1368073895 /nfs/dbraw/zinc/07/38/95/1368073895.db2.gz BJHZZNLUOWCVFN-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@H](CC)c2ccccc2)C1 ZINC001193609482 1368073897 /nfs/dbraw/zinc/07/38/97/1368073897.db2.gz BJHZZNLUOWCVFN-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C)[NH+](CC)CC ZINC001111018327 1368144531 /nfs/dbraw/zinc/14/45/31/1368144531.db2.gz QVOXUVVJRQRNAF-TVFCKZIOSA-N 2 1 337.552 3.265 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH]cn1)C2 ZINC001111125804 1368161425 /nfs/dbraw/zinc/16/14/25/1368161425.db2.gz NDSLUUWPVIJMBK-QHQPWCTLSA-N 2 1 344.503 3.056 20 0 EGADMP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1cnc[nH]1)C2 ZINC001111125804 1368161428 /nfs/dbraw/zinc/16/14/28/1368161428.db2.gz NDSLUUWPVIJMBK-QHQPWCTLSA-N 2 1 344.503 3.056 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1cnc[nH]1)C2 ZINC001111125804 1368161429 /nfs/dbraw/zinc/16/14/29/1368161429.db2.gz NDSLUUWPVIJMBK-QHQPWCTLSA-N 2 1 344.503 3.056 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CCC2CCCCCC2)C1 ZINC001194296085 1368225744 /nfs/dbraw/zinc/22/57/44/1368225744.db2.gz VSDHCYWLVYFKEI-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CCC2CCCCCC2)C1 ZINC001194296085 1368225747 /nfs/dbraw/zinc/22/57/47/1368225747.db2.gz VSDHCYWLVYFKEI-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CCC2CCCCCC2)C1 ZINC001194296085 1368225749 /nfs/dbraw/zinc/22/57/49/1368225749.db2.gz VSDHCYWLVYFKEI-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293571 1368225909 /nfs/dbraw/zinc/22/59/09/1368225909.db2.gz IBXMGYBGUYWFCJ-RBUKOAKNSA-N 2 1 349.494 3.150 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194293571 1368225912 /nfs/dbraw/zinc/22/59/12/1368225912.db2.gz IBXMGYBGUYWFCJ-RBUKOAKNSA-N 2 1 349.494 3.150 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194293571 1368225913 /nfs/dbraw/zinc/22/59/13/1368225913.db2.gz IBXMGYBGUYWFCJ-RBUKOAKNSA-N 2 1 349.494 3.150 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(C)C)c1ccccc1 ZINC001111270584 1368236989 /nfs/dbraw/zinc/23/69/89/1368236989.db2.gz XEPQXRJJTIZJHR-YSTOQKLRSA-N 2 1 343.515 3.057 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(C)C)c1ccccc1 ZINC001111270584 1368236994 /nfs/dbraw/zinc/23/69/94/1368236994.db2.gz XEPQXRJJTIZJHR-YSTOQKLRSA-N 2 1 343.515 3.057 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C)c1ccccc1 ZINC001111270584 1368236997 /nfs/dbraw/zinc/23/69/97/1368236997.db2.gz XEPQXRJJTIZJHR-YSTOQKLRSA-N 2 1 343.515 3.057 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C)c1ccccc1 ZINC001111270584 1368237001 /nfs/dbraw/zinc/23/70/01/1368237001.db2.gz XEPQXRJJTIZJHR-YSTOQKLRSA-N 2 1 343.515 3.057 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001111296487 1368256806 /nfs/dbraw/zinc/25/68/06/1368256806.db2.gz LEOVKDJLZWSDGK-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001111458464 1368310347 /nfs/dbraw/zinc/31/03/47/1368310347.db2.gz AMOCFFGJUWKCFD-AQNXPRMDSA-N 2 1 345.531 3.084 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001195111445 1368380446 /nfs/dbraw/zinc/38/04/46/1368380446.db2.gz CNXJOMGADZCKNN-HSALFYBXSA-N 2 1 329.532 3.171 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001195111445 1368380449 /nfs/dbraw/zinc/38/04/49/1368380449.db2.gz CNXJOMGADZCKNN-HSALFYBXSA-N 2 1 329.532 3.171 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001195111445 1368380455 /nfs/dbraw/zinc/38/04/55/1368380455.db2.gz CNXJOMGADZCKNN-HSALFYBXSA-N 2 1 329.532 3.171 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785802 1368490605 /nfs/dbraw/zinc/49/06/05/1368490605.db2.gz VYLYZXUYRMCTTL-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001195785802 1368490607 /nfs/dbraw/zinc/49/06/07/1368490607.db2.gz VYLYZXUYRMCTTL-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001195785802 1368490608 /nfs/dbraw/zinc/49/06/08/1368490608.db2.gz VYLYZXUYRMCTTL-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC1CCCC1)C2 ZINC001111858192 1368509315 /nfs/dbraw/zinc/50/93/15/1368509315.db2.gz SRFXIXJSTSUZKP-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001111872937 1368519792 /nfs/dbraw/zinc/51/97/92/1368519792.db2.gz ARFCFAMDUPOZJF-PXNSSMCTSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001111872937 1368519798 /nfs/dbraw/zinc/51/97/98/1368519798.db2.gz ARFCFAMDUPOZJF-PXNSSMCTSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001111872937 1368519803 /nfs/dbraw/zinc/51/98/03/1368519803.db2.gz ARFCFAMDUPOZJF-PXNSSMCTSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001111913834 1368554734 /nfs/dbraw/zinc/55/47/34/1368554734.db2.gz DGBHINNFXWJMSL-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CCC)C1 ZINC001111950917 1368571677 /nfs/dbraw/zinc/57/16/77/1368571677.db2.gz JRFUHMLLEGFESK-AQIYZVDXSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111950917 1368571679 /nfs/dbraw/zinc/57/16/79/1368571679.db2.gz JRFUHMLLEGFESK-AQIYZVDXSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111950917 1368571684 /nfs/dbraw/zinc/57/16/84/1368571684.db2.gz JRFUHMLLEGFESK-AQIYZVDXSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)c1ccccc1)C2 ZINC001112009738 1368613565 /nfs/dbraw/zinc/61/35/65/1368613565.db2.gz RNOIBNYBJCKNNW-LMNJBCLMSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1ccccc1)C2 ZINC001112009738 1368613571 /nfs/dbraw/zinc/61/35/71/1368613571.db2.gz RNOIBNYBJCKNNW-LMNJBCLMSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1ccccc1)C2 ZINC001112009738 1368613572 /nfs/dbraw/zinc/61/35/72/1368613572.db2.gz RNOIBNYBJCKNNW-LMNJBCLMSA-N 2 1 343.515 3.059 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001196890620 1368708468 /nfs/dbraw/zinc/70/84/68/1368708468.db2.gz TYHNPNJGQSVVDQ-ROUKRRSUSA-N 2 1 349.563 3.389 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001196890620 1368708470 /nfs/dbraw/zinc/70/84/70/1368708470.db2.gz TYHNPNJGQSVVDQ-ROUKRRSUSA-N 2 1 349.563 3.389 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001196890620 1368708474 /nfs/dbraw/zinc/70/84/74/1368708474.db2.gz TYHNPNJGQSVVDQ-ROUKRRSUSA-N 2 1 349.563 3.389 20 0 EGADMP CC(C)=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112353474 1368784709 /nfs/dbraw/zinc/78/47/09/1368784709.db2.gz KUNWFVNAHVVFOB-ZJOUEHCJSA-N 2 1 347.547 3.044 20 0 EGADMP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001112396733 1368822786 /nfs/dbraw/zinc/82/27/86/1368822786.db2.gz BRZMVDCDFBDNBY-ZJOUEHCJSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@@H+](CCCCCF)CC1)C(C)C ZINC001197484152 1368824343 /nfs/dbraw/zinc/82/43/43/1368824343.db2.gz BIDXHYMNAHXKQB-GOSISDBHSA-N 2 1 343.531 3.027 20 0 EGADMP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001112444161 1368859096 /nfs/dbraw/zinc/85/90/96/1368859096.db2.gz HOTORXNNSIIDGB-ZVDOUQERSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[NH+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001197691362 1368873275 /nfs/dbraw/zinc/87/32/75/1368873275.db2.gz HBDAZUJIFXDVKW-OALUTQOASA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[N@H+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001197691362 1368873278 /nfs/dbraw/zinc/87/32/78/1368873278.db2.gz HBDAZUJIFXDVKW-OALUTQOASA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[N@@H+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001197691362 1368873281 /nfs/dbraw/zinc/87/32/81/1368873281.db2.gz HBDAZUJIFXDVKW-OALUTQOASA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001197817013 1368905179 /nfs/dbraw/zinc/90/51/79/1368905179.db2.gz CPXULZFMYGZEAK-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCC[NH+](C)C)CC2)cc1C ZINC001197885954 1368920088 /nfs/dbraw/zinc/92/00/88/1368920088.db2.gz LPHZFVANXBKHSP-UHFFFAOYSA-N 2 1 345.531 3.070 20 0 EGADMP CC(C)CCC[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001113050816 1369167178 /nfs/dbraw/zinc/16/71/78/1369167178.db2.gz VIJDOCBEJUAOCZ-UHFFFAOYSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001113050816 1369167189 /nfs/dbraw/zinc/16/71/89/1369167189.db2.gz VIJDOCBEJUAOCZ-UHFFFAOYSA-N 2 1 337.552 3.220 20 0 EGADMP Cc1nn2c(C[NH2+]C[C@H](C)C[NH+]3CCCC3)c(C(C)C)nc2s1 ZINC001199403755 1369220007 /nfs/dbraw/zinc/22/00/07/1369220007.db2.gz ZQPRDNPXWHVYQB-ZDUSSCGKSA-N 2 1 335.521 3.044 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH+](CCCC(C)(C)C)CC1 ZINC001113397627 1369397986 /nfs/dbraw/zinc/39/79/86/1369397986.db2.gz HIJVUSISPPOHBU-UHFFFAOYSA-N 2 1 348.535 3.367 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001113439790 1369429875 /nfs/dbraw/zinc/42/98/75/1369429875.db2.gz VETYSGWNKOQJHU-IBGZPJMESA-N 2 1 339.568 3.325 20 0 EGADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](CCCC2CCC2)CC1 ZINC001113439687 1369429948 /nfs/dbraw/zinc/42/99/48/1369429948.db2.gz ONBSMXVGTBEDIQ-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](CCCC2CCC2)CC1 ZINC001113439687 1369429950 /nfs/dbraw/zinc/42/99/50/1369429950.db2.gz ONBSMXVGTBEDIQ-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201230533 1369500202 /nfs/dbraw/zinc/50/02/02/1369500202.db2.gz UBPJLKKGPJFONK-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001201321719 1369518664 /nfs/dbraw/zinc/51/86/64/1369518664.db2.gz UYVZSAVPEDELIM-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@H](C)C[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001201378023 1369530653 /nfs/dbraw/zinc/53/06/53/1369530653.db2.gz AGZOYMXERHCGBA-INIZCTEOSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001113684102 1369563770 /nfs/dbraw/zinc/56/37/70/1369563770.db2.gz OAFYPVAJLWFDIA-QUCCMNQESA-N 2 1 345.531 3.116 20 0 EGADMP CCCC[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(OC)c1)CCO2 ZINC001201706055 1369608916 /nfs/dbraw/zinc/60/89/16/1369608916.db2.gz ILRWGMYOWJPUAB-UHFFFAOYSA-N 2 1 332.488 3.162 20 0 EGADMP CCCC[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(OC)c1)CCO2 ZINC001201706055 1369608921 /nfs/dbraw/zinc/60/89/21/1369608921.db2.gz ILRWGMYOWJPUAB-UHFFFAOYSA-N 2 1 332.488 3.162 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](C1CC[NH+](CCC3CCOCC3)CC1)C2 ZINC001202664332 1369843020 /nfs/dbraw/zinc/84/30/20/1369843020.db2.gz NXYBRIGFFHIYIO-UHFFFAOYSA-N 2 1 328.500 3.326 20 0 EGADMP c1ccc2c(c1)CC[N@H+](C1CC[NH+](CCC3CCOCC3)CC1)C2 ZINC001202664332 1369843027 /nfs/dbraw/zinc/84/30/27/1369843027.db2.gz NXYBRIGFFHIYIO-UHFFFAOYSA-N 2 1 328.500 3.326 20 0 EGADMP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001202764500 1369882704 /nfs/dbraw/zinc/88/27/04/1369882704.db2.gz NZKVVZCIHBKCFE-VOFKWLDRSA-N 2 1 335.536 3.186 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001187034273 1388043145 /nfs/dbraw/zinc/04/31/45/1388043145.db2.gz BWDUIHZZSFTYST-WOJBJXKFSA-N 2 1 345.531 3.306 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203035544 1369962068 /nfs/dbraw/zinc/96/20/68/1369962068.db2.gz CCGVXFXCJDFPON-CQQBRXBZSA-N 2 1 347.547 3.234 20 0 EGADMP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203103863 1369984203 /nfs/dbraw/zinc/98/42/03/1369984203.db2.gz NFCPCSSZJJBJRH-ROUUACIJSA-N 2 1 349.563 3.312 20 0 EGADMP Cc1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001203124877 1369990898 /nfs/dbraw/zinc/99/08/98/1369990898.db2.gz ZEFDIMHHBOEHBP-LEWJYISDSA-N 2 1 336.483 3.129 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCCCCF)C1)c1ccccc1 ZINC001187035145 1388043120 /nfs/dbraw/zinc/04/31/20/1388043120.db2.gz VVGAWKHSNLJYLQ-MOPGFXCFSA-N 2 1 349.494 3.010 20 0 EGADMP CCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203233062 1370034855 /nfs/dbraw/zinc/03/48/55/1370034855.db2.gz ZRGKUPRWSKOHNT-QZTJIDSGSA-N 2 1 335.536 3.068 20 0 EGADMP CCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001187034993 1388043477 /nfs/dbraw/zinc/04/34/77/1388043477.db2.gz RQSIWRYMFFDXOP-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC([NH2+]CCC2CC2)CC1)c1ccccc1 ZINC001203313203 1370078553 /nfs/dbraw/zinc/07/85/53/1370078553.db2.gz OEOKVFBTOOHTEJ-FQEVSTJZSA-N 2 1 343.515 3.060 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC)C12CCC2 ZINC001203506497 1370148438 /nfs/dbraw/zinc/14/84/38/1370148438.db2.gz JLMXARPXKZPCIQ-QZTJIDSGSA-N 2 1 337.552 3.316 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001114920733 1370149363 /nfs/dbraw/zinc/14/93/63/1370149363.db2.gz AAMOKTNHHPRCFL-DITJFZCTSA-N 2 1 347.547 3.044 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203640517 1370196787 /nfs/dbraw/zinc/19/67/87/1370196787.db2.gz CURIFRAZVSLGRD-OALUTQOASA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH2+]CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001203932269 1370319344 /nfs/dbraw/zinc/31/93/44/1370319344.db2.gz BBKUHDZEIJSBJN-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc2ccccc2c1 ZINC001204001055 1370343916 /nfs/dbraw/zinc/34/39/16/1370343916.db2.gz XVRDBCRQIVNDSF-UHFFFAOYSA-N 2 1 328.456 3.157 20 0 EGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc2ccccc2c1 ZINC001204001055 1370343923 /nfs/dbraw/zinc/34/39/23/1370343923.db2.gz XVRDBCRQIVNDSF-UHFFFAOYSA-N 2 1 328.456 3.157 20 0 EGADMP C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001204052986 1370361075 /nfs/dbraw/zinc/36/10/75/1370361075.db2.gz CTFJVDVQXLTUKK-IBGZPJMESA-N 2 1 338.451 3.369 20 0 EGADMP C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001204052986 1370361078 /nfs/dbraw/zinc/36/10/78/1370361078.db2.gz CTFJVDVQXLTUKK-IBGZPJMESA-N 2 1 338.451 3.369 20 0 EGADMP C[NH+](Cc1ccc2c(c1)OCO2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001204052986 1370361080 /nfs/dbraw/zinc/36/10/80/1370361080.db2.gz CTFJVDVQXLTUKK-IBGZPJMESA-N 2 1 338.451 3.369 20 0 EGADMP C[NH+](Cc1ccc2c(c1)OCO2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001204052986 1370361085 /nfs/dbraw/zinc/36/10/85/1370361085.db2.gz CTFJVDVQXLTUKK-IBGZPJMESA-N 2 1 338.451 3.369 20 0 EGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]21 ZINC001204243493 1370419966 /nfs/dbraw/zinc/41/99/66/1370419966.db2.gz VTNZLYCMFKZXDQ-DFQSSKMNSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccoc3)C[C@H]21 ZINC001204243493 1370419968 /nfs/dbraw/zinc/41/99/68/1370419968.db2.gz VTNZLYCMFKZXDQ-DFQSSKMNSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccoc3)C[C@H]21 ZINC001204243493 1370419971 /nfs/dbraw/zinc/41/99/71/1370419971.db2.gz VTNZLYCMFKZXDQ-DFQSSKMNSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccoc3)C[C@H]21 ZINC001204243493 1370419973 /nfs/dbraw/zinc/41/99/73/1370419973.db2.gz VTNZLYCMFKZXDQ-DFQSSKMNSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccoc3)C[C@H]21 ZINC001204243493 1370419977 /nfs/dbraw/zinc/41/99/77/1370419977.db2.gz VTNZLYCMFKZXDQ-DFQSSKMNSA-N 2 1 325.456 3.407 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccoc3)C[C@H]21 ZINC001204243493 1370419979 /nfs/dbraw/zinc/41/99/79/1370419979.db2.gz VTNZLYCMFKZXDQ-DFQSSKMNSA-N 2 1 325.456 3.407 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]21 ZINC001204243493 1370419982 /nfs/dbraw/zinc/41/99/82/1370419982.db2.gz VTNZLYCMFKZXDQ-DFQSSKMNSA-N 2 1 325.456 3.407 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC001204270145 1370427687 /nfs/dbraw/zinc/42/76/87/1370427687.db2.gz QFOORDYQBWPOQD-HXUWFJFHSA-N 2 1 332.488 3.020 20 0 EGADMP C[NH+](C)CCCOc1ccc(CN2CC[N@@H+](C)CC23CCCC3)cc1 ZINC001204271702 1370428331 /nfs/dbraw/zinc/42/83/31/1370428331.db2.gz CBSXGAKYIIBSKK-UHFFFAOYSA-N 2 1 345.531 3.077 20 0 EGADMP CN1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C2(CCCC2)C1 ZINC001204271702 1370428333 /nfs/dbraw/zinc/42/83/33/1370428333.db2.gz CBSXGAKYIIBSKK-UHFFFAOYSA-N 2 1 345.531 3.077 20 0 EGADMP CN1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C2(CCCC2)C1 ZINC001204271702 1370428335 /nfs/dbraw/zinc/42/83/35/1370428335.db2.gz CBSXGAKYIIBSKK-UHFFFAOYSA-N 2 1 345.531 3.077 20 0 EGADMP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115451024 1370459114 /nfs/dbraw/zinc/45/91/14/1370459114.db2.gz XROOXHVBKCDDLB-XFHJGTJQSA-N 2 1 335.536 3.236 20 0 EGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001204433762 1370476004 /nfs/dbraw/zinc/47/60/04/1370476004.db2.gz FSEGUUCEMMMVCO-GJZGRUSLSA-N 2 1 328.378 3.359 20 0 EGADMP CCCC[N@@H+](C)Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001204611649 1370530081 /nfs/dbraw/zinc/53/00/81/1370530081.db2.gz ZZQVMISRCCNJLF-UHFFFAOYSA-N 2 1 340.309 3.091 20 0 EGADMP COc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1OC(C)C ZINC001204734685 1370558872 /nfs/dbraw/zinc/55/88/72/1370558872.db2.gz BKZHPSWXBROSBX-UHFFFAOYSA-N 2 1 332.488 3.448 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCCCC1 ZINC001115573222 1370576094 /nfs/dbraw/zinc/57/60/94/1370576094.db2.gz NKBWSRRILDQULO-LJQANCHMSA-N 2 1 349.563 3.458 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCCCCF)CCCCC1 ZINC001115598198 1370598166 /nfs/dbraw/zinc/59/81/66/1370598166.db2.gz KMGNJXLRBYMKGU-KRWDZBQOSA-N 2 1 341.515 3.019 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CCCCC1 ZINC001115598053 1370598430 /nfs/dbraw/zinc/59/84/30/1370598430.db2.gz FWSBYCRYXXRVPN-IBGZPJMESA-N 2 1 343.515 3.080 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCc2ccc(Br)cc2)C1 ZINC001205001920 1370624855 /nfs/dbraw/zinc/62/48/55/1370624855.db2.gz XQPHTYNPBOMNQK-HNNXBMFYSA-N 2 1 325.294 3.313 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc3c(c(OC)c2)NC(C)(C)C=C3)C1 ZINC001205025652 1370633067 /nfs/dbraw/zinc/63/30/67/1370633067.db2.gz AWKVNBWKPAHWRZ-OAHLLOKOSA-N 2 1 329.488 3.344 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc3c(c(OC)c2)NC(C)(C)C=C3)C1 ZINC001205025652 1370633071 /nfs/dbraw/zinc/63/30/71/1370633071.db2.gz AWKVNBWKPAHWRZ-OAHLLOKOSA-N 2 1 329.488 3.344 20 0 EGADMP Cn1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c2cc(Br)ccc21 ZINC001205102508 1370650627 /nfs/dbraw/zinc/65/06/27/1370650627.db2.gz SLOBULRWRAZGRM-AWEZNQCLSA-N 2 1 336.277 3.254 20 0 EGADMP Cn1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c2cc(Br)ccc21 ZINC001205102508 1370650630 /nfs/dbraw/zinc/65/06/30/1370650630.db2.gz SLOBULRWRAZGRM-AWEZNQCLSA-N 2 1 336.277 3.254 20 0 EGADMP [NH3+][C@H]1CCC[N@H+](Cc2ccc3nc(Br)sc3c2)CC1 ZINC001205124365 1370657752 /nfs/dbraw/zinc/65/77/52/1370657752.db2.gz PCEVUMZRVQXAQW-NSHDSACASA-N 2 1 340.290 3.372 20 0 EGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3nc(Br)sc3c2)CC1 ZINC001205124365 1370657756 /nfs/dbraw/zinc/65/77/56/1370657756.db2.gz PCEVUMZRVQXAQW-NSHDSACASA-N 2 1 340.290 3.372 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2F)C[C@H]1C[NH3+] ZINC001205146124 1370663242 /nfs/dbraw/zinc/66/32/42/1370663242.db2.gz PVKUAROXFMFMCU-MAUKXSAKSA-N 2 1 328.431 3.431 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2F)C[C@H]1C[NH3+] ZINC001205146124 1370663244 /nfs/dbraw/zinc/66/32/44/1370663244.db2.gz PVKUAROXFMFMCU-MAUKXSAKSA-N 2 1 328.431 3.431 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccccc2Oc2ccccc2)CC1 ZINC001205220028 1370685080 /nfs/dbraw/zinc/68/50/80/1370685080.db2.gz IOFSMSZUAWNBAP-HXUWFJFHSA-N 2 1 326.440 3.155 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)CC1 ZINC001205241775 1370692222 /nfs/dbraw/zinc/69/22/22/1370692222.db2.gz VPASVHOEGGGRSD-FQEVSTJZSA-N 2 1 344.430 3.294 20 0 EGADMP C[NH+](C)CCCOc1ccc(-c2cc(F)c3c(c2)C[N@H+](C)CC3)cn1 ZINC001205261549 1370698561 /nfs/dbraw/zinc/69/85/61/1370698561.db2.gz KTHAUTXYZSMYEE-UHFFFAOYSA-N 2 1 343.446 3.206 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273862 1370702474 /nfs/dbraw/zinc/70/24/74/1370702474.db2.gz QKLKBCLPNMZADB-HNNXBMFYSA-N 2 1 332.366 3.297 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273862 1370702477 /nfs/dbraw/zinc/70/24/77/1370702477.db2.gz QKLKBCLPNMZADB-HNNXBMFYSA-N 2 1 332.366 3.297 20 0 EGADMP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205285656 1370706386 /nfs/dbraw/zinc/70/63/86/1370706386.db2.gz ZXYHXRXZWUDUTA-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@@H]2C)CCCCC1 ZINC001115729836 1370711843 /nfs/dbraw/zinc/71/18/43/1370711843.db2.gz UTQHQRZIQLBVPC-KRWDZBQOSA-N 2 1 337.552 3.316 20 0 EGADMP CC[C@H](C)C[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCCCC1 ZINC001115730977 1370714017 /nfs/dbraw/zinc/71/40/17/1370714017.db2.gz WPOIEWYMSPSWAJ-KRWDZBQOSA-N 2 1 339.568 3.419 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)C[C@H]1C[NH3+] ZINC001205314358 1370718594 /nfs/dbraw/zinc/71/85/94/1370718594.db2.gz BBYFETSPFDITAK-UKRRQHHQSA-N 2 1 331.410 3.444 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cn2)C[C@@H]1C[NH3+] ZINC001205317742 1370719829 /nfs/dbraw/zinc/71/98/29/1370719829.db2.gz PSDADGQBNMWZOQ-WMZOPIPTSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cn2)C[C@@H]1C[NH3+] ZINC001205317742 1370719833 /nfs/dbraw/zinc/71/98/33/1370719833.db2.gz PSDADGQBNMWZOQ-WMZOPIPTSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cccnc2OCc2ccccc2)C[C@@H]1C[NH3+] ZINC001205317354 1370720237 /nfs/dbraw/zinc/72/02/37/1370720237.db2.gz ODGVBQJZEXFTFT-APWZRJJASA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cccnc2OCc2ccccc2)C[C@@H]1C[NH3+] ZINC001205317354 1370720240 /nfs/dbraw/zinc/72/02/40/1370720240.db2.gz ODGVBQJZEXFTFT-APWZRJJASA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc3cc(Br)cnc3c2)C[C@@H]1C[NH3+] ZINC001205319351 1370721004 /nfs/dbraw/zinc/72/10/04/1370721004.db2.gz ZGMHIQSNYXOFHN-DOMZBBRYSA-N 2 1 348.288 3.414 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[NH2+]CC[C@@H]3C)cc2)cc1 ZINC001205333247 1370723883 /nfs/dbraw/zinc/72/38/83/1370723883.db2.gz YLEKSWCKUDLPRU-INIZCTEOSA-N 2 1 338.451 3.324 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[NH2+]CC[C@@H]3C)cc2)cc1 ZINC001205333247 1370723887 /nfs/dbraw/zinc/72/38/87/1370723887.db2.gz YLEKSWCKUDLPRU-INIZCTEOSA-N 2 1 338.451 3.324 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CCCCC1 ZINC001115760562 1370744644 /nfs/dbraw/zinc/74/46/44/1370744644.db2.gz NERYREMWWQWYEL-GOSISDBHSA-N 2 1 337.552 3.314 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420534 1370749022 /nfs/dbraw/zinc/74/90/22/1370749022.db2.gz YXDJICVBTNKORE-SFFCAUCYSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@H](C)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205461520 1370762625 /nfs/dbraw/zinc/76/26/25/1370762625.db2.gz LZEVLZLPIHFXHJ-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001205483598 1370769652 /nfs/dbraw/zinc/76/96/52/1370769652.db2.gz JQOWAXHFNNGULZ-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cccc(Br)c2F)CC1 ZINC001205558117 1370791284 /nfs/dbraw/zinc/79/12/84/1370791284.db2.gz BXALCXXJIAJPQA-AWEZNQCLSA-N 2 1 333.220 3.241 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc(Br)c2F)CC1 ZINC001205558117 1370791288 /nfs/dbraw/zinc/79/12/88/1370791288.db2.gz BXALCXXJIAJPQA-AWEZNQCLSA-N 2 1 333.220 3.241 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2)CC[C@@H]1C[NH3+] ZINC001205618071 1370812431 /nfs/dbraw/zinc/81/24/31/1370812431.db2.gz RESMUMSSCSJTDA-DGCLKSJQSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2F)CC[C@@H]1C[NH3+] ZINC001205617853 1370812892 /nfs/dbraw/zinc/81/28/92/1370812892.db2.gz OORVKVQBBPCZDD-VXGBXAGGSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cccc(Oc3ncccn3)c2)CC[C@H]1C[NH3+] ZINC001205618216 1370812838 /nfs/dbraw/zinc/81/28/38/1370812838.db2.gz STDUYXHXNXGFJY-RDJZCZTQSA-N 2 1 326.444 3.076 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(Br)c1 ZINC001205629206 1370817885 /nfs/dbraw/zinc/81/78/85/1370817885.db2.gz YKMWMGHXYQANPW-OLZOCXBDSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2Cl)CC[C@H]1C[NH3+] ZINC001205637402 1370822064 /nfs/dbraw/zinc/82/20/64/1370822064.db2.gz GVUUDQSINJKMGT-CABCVRRESA-N 2 1 332.879 3.333 20 0 EGADMP COc1cc(Cl)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(OC)c1 ZINC001205639472 1370822760 /nfs/dbraw/zinc/82/27/60/1370822760.db2.gz ZGQHMVBNGQXOQE-OLZOCXBDSA-N 2 1 326.868 3.164 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2Oc2cnccn2)CC[C@H]1C[NH3+] ZINC001205651110 1370827614 /nfs/dbraw/zinc/82/76/14/1370827614.db2.gz AFUKQMZFZGHXOW-HOTGVXAUSA-N 2 1 326.444 3.076 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC[C@H]1C[NH3+] ZINC001205653276 1370828419 /nfs/dbraw/zinc/82/84/19/1370828419.db2.gz SKIFXXRGRAMDLT-CABCVRRESA-N 2 1 332.879 3.333 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2NC(=O)C(C)(C)C)CC[C@@H]1C[NH3+] ZINC001205651736 1370828774 /nfs/dbraw/zinc/82/87/74/1370828774.db2.gz ISXZKGSXXNJTHA-JKSUJKDBSA-N 2 1 331.504 3.478 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001205687974 1370843073 /nfs/dbraw/zinc/84/30/73/1370843073.db2.gz CDCHXTOLGXGOEX-HXUWFJFHSA-N 2 1 328.431 3.168 20 0 EGADMP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205690729 1370843635 /nfs/dbraw/zinc/84/36/35/1370843635.db2.gz XBOFUVWIYADGLL-OAQYLSRUSA-N 2 1 342.483 3.303 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001205717037 1370850329 /nfs/dbraw/zinc/85/03/29/1370850329.db2.gz OEYBYKZULYUATD-JYJNAYRXSA-N 2 1 339.524 3.142 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001205717037 1370850335 /nfs/dbraw/zinc/85/03/35/1370850335.db2.gz OEYBYKZULYUATD-JYJNAYRXSA-N 2 1 339.524 3.142 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)CC1 ZINC001205727456 1370853682 /nfs/dbraw/zinc/85/36/82/1370853682.db2.gz BPSGWYKVMZAQDH-QGZVFWFLSA-N 2 1 339.524 3.098 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccc(Br)cc2)CCC1(F)F ZINC001205734048 1370854421 /nfs/dbraw/zinc/85/44/21/1370854421.db2.gz BVCBNELGTGLVJQ-CYBMUJFWSA-N 2 1 347.247 3.298 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3nc(Cl)ccc3c2)CCC1(F)F ZINC001205787119 1370869951 /nfs/dbraw/zinc/86/99/51/1370869951.db2.gz FWCXCEZDKBTDFA-ZDUSSCGKSA-N 2 1 325.790 3.304 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3nc(Cl)ccc3c2)CCC1(F)F ZINC001205787119 1370869957 /nfs/dbraw/zinc/86/99/57/1370869957.db2.gz FWCXCEZDKBTDFA-ZDUSSCGKSA-N 2 1 325.790 3.304 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H]3CCc4c3cccc4F)CC2)CC1 ZINC001116348091 1370890184 /nfs/dbraw/zinc/89/01/84/1370890184.db2.gz MOHVVSJLYPOBHO-OAQYLSRUSA-N 2 1 345.506 3.303 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1c[nH]c2ccc(Br)cc12 ZINC001205902590 1370905325 /nfs/dbraw/zinc/90/53/25/1370905325.db2.gz KTUBZAJJGXFTRE-NEPJUHHUSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2ccc(Br)cc12 ZINC001205902590 1370905330 /nfs/dbraw/zinc/90/53/30/1370905330.db2.gz KTUBZAJJGXFTRE-NEPJUHHUSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(Br)ccc1N(C)C ZINC001205916052 1370909453 /nfs/dbraw/zinc/90/94/53/1370909453.db2.gz RPCWDHUQVYQUSC-CHWSQXEVSA-N 2 1 340.309 3.074 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(Br)ccc1N(C)C ZINC001205916052 1370909459 /nfs/dbraw/zinc/90/94/59/1370909459.db2.gz RPCWDHUQVYQUSC-CHWSQXEVSA-N 2 1 340.309 3.074 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)c2ccccc21 ZINC001326038888 1388103746 /nfs/dbraw/zinc/10/37/46/1388103746.db2.gz QIKDCJZITHKKLL-AHRSYUTCSA-N 2 1 335.451 3.026 20 0 EGADMP C[C@H]1C[N@@H+](CCc2ccccc2Br)CCC[C@@H]1C[NH3+] ZINC001205981900 1370929437 /nfs/dbraw/zinc/92/94/37/1370929437.db2.gz IVGQUNQKLFZKIM-DZGCQCFKSA-N 2 1 325.294 3.298 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2Br)CCC[C@@H]1C[NH3+] ZINC001205994419 1370932991 /nfs/dbraw/zinc/93/29/91/1370932991.db2.gz LMIJDURXCWBAJK-VXGBXAGGSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(Oc3ncccn3)c2)CCC[C@H]1C[NH3+] ZINC001205995230 1370933029 /nfs/dbraw/zinc/93/30/29/1370933029.db2.gz NIRMDBFHPBATHH-RDJZCZTQSA-N 2 1 326.444 3.076 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2sc(N3CCCC3)nc2Cl)CCC[C@@H]1C[NH3+] ZINC001206003093 1370934735 /nfs/dbraw/zinc/93/47/35/1370934735.db2.gz DQADOGAACWYNFB-CHWSQXEVSA-N 2 1 342.940 3.204 20 0 EGADMP C[C@@H]1C[N@H+](Cc2nc(Cl)ccc2Br)CCC[C@H]1C[NH3+] ZINC001206013190 1370938006 /nfs/dbraw/zinc/93/80/06/1370938006.db2.gz QAUQKGGEXZYQTH-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2nc(Cl)ccc2Br)CCC[C@H]1C[NH3+] ZINC001206013190 1370938009 /nfs/dbraw/zinc/93/80/09/1370938009.db2.gz QAUQKGGEXZYQTH-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1Br ZINC001206013828 1370938856 /nfs/dbraw/zinc/93/88/56/1370938856.db2.gz ULFIONGZOKNMRJ-TZMCWYRMSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206027298 1370942190 /nfs/dbraw/zinc/94/21/90/1370942190.db2.gz VUWJIZUTDMVLED-CABCVRRESA-N 2 1 332.879 3.333 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CCC[C@@H]1C[NH3+] ZINC001206036700 1370945012 /nfs/dbraw/zinc/94/50/12/1370945012.db2.gz OEZPGUSNDNKDDN-VXGBXAGGSA-N 2 1 340.393 3.389 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)CCC[C@H]1C[NH3+] ZINC001206036655 1370945256 /nfs/dbraw/zinc/94/52/56/1370945256.db2.gz NGMKWUZKVATPKN-PXNSSMCTSA-N 2 1 339.483 3.467 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](CCn2cncn2)c2ccc(C)cc2)C1 ZINC001116721907 1370961579 /nfs/dbraw/zinc/96/15/79/1370961579.db2.gz XMGHWEZGPXWJTF-ICSRJNTNSA-N 2 1 341.503 3.039 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](CCCc2cccc(Br)c2)CC[C@@H]1F ZINC001206155488 1370974564 /nfs/dbraw/zinc/97/45/64/1370974564.db2.gz LSGQJIATVFFRER-LSDHHAIUSA-N 2 1 329.257 3.143 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](CCCc2cccc(Br)c2)CC[C@@H]1F ZINC001206155488 1370974566 /nfs/dbraw/zinc/97/45/66/1370974566.db2.gz LSGQJIATVFFRER-LSDHHAIUSA-N 2 1 329.257 3.143 20 0 EGADMP [NH3+][C@H]1CC[N@H+](Cc2cc3ccc(Br)cc3[nH]2)CC[C@@H]1F ZINC001206175666 1370980747 /nfs/dbraw/zinc/98/07/47/1370980747.db2.gz WZZZCQLUKDJGBR-KBPBESRZSA-N 2 1 340.240 3.192 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](Cc2cc3ccc(Br)cc3[nH]2)CC[C@@H]1F ZINC001206175666 1370980750 /nfs/dbraw/zinc/98/07/50/1370980750.db2.gz WZZZCQLUKDJGBR-KBPBESRZSA-N 2 1 340.240 3.192 20 0 EGADMP COc1ccc2c(OC)ccc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)c2c1 ZINC001206211738 1370994427 /nfs/dbraw/zinc/99/44/27/1370994427.db2.gz PIKDTGWYMKKVRV-ZWKOTPCHSA-N 2 1 332.419 3.118 20 0 EGADMP COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1cccc(C[NH3+])c1 ZINC001206257739 1371006535 /nfs/dbraw/zinc/00/65/35/1371006535.db2.gz IZSWOWAQIIILRO-UHFFFAOYSA-N 2 1 326.440 3.101 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CC1 ZINC001206327416 1371023273 /nfs/dbraw/zinc/02/32/73/1371023273.db2.gz WGJQNOGLOIULLU-GOSISDBHSA-N 2 1 332.879 3.477 20 0 EGADMP CSc1ncc(C[NH+]2CCC(CC[NH3+])CC2)c(NC2CCCC2)n1 ZINC001206499801 1371074074 /nfs/dbraw/zinc/07/40/74/1371074074.db2.gz CCQKMIFTUONXPJ-UHFFFAOYSA-N 2 1 349.548 3.114 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]C[C@H](C)CC)CC1 ZINC001206621749 1371111158 /nfs/dbraw/zinc/11/11/58/1371111158.db2.gz FVLMRXIWUWXROK-GOSISDBHSA-N 2 1 339.568 3.373 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001206633376 1371114199 /nfs/dbraw/zinc/11/41/99/1371114199.db2.gz XAYMRAATSZGGAJ-CYBMUJFWSA-N 2 1 334.357 3.484 20 0 EGADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001118264132 1371154215 /nfs/dbraw/zinc/15/42/15/1371154215.db2.gz TXTHSCHWFKVUJV-QGZVFWFLSA-N 2 1 329.488 3.096 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001206890350 1371209461 /nfs/dbraw/zinc/20/94/61/1371209461.db2.gz NFNBGEDMFDNVAG-SFHVURJKSA-N 2 1 345.531 3.226 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001207007666 1371264568 /nfs/dbraw/zinc/26/45/68/1371264568.db2.gz PDFLQMMLTCJTLO-KZNAEPCWSA-N 2 1 348.535 3.413 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207007666 1371264573 /nfs/dbraw/zinc/26/45/73/1371264573.db2.gz PDFLQMMLTCJTLO-KZNAEPCWSA-N 2 1 348.535 3.413 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207007666 1371264575 /nfs/dbraw/zinc/26/45/75/1371264575.db2.gz PDFLQMMLTCJTLO-KZNAEPCWSA-N 2 1 348.535 3.413 20 0 EGADMP CN(C)c1ncc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)s1 ZINC001119031301 1371266651 /nfs/dbraw/zinc/26/66/51/1371266651.db2.gz LAIWCLHUOFDAMS-RHSMWYFYSA-N 2 1 336.549 3.329 20 0 EGADMP CN(Cc1[nH+]cc2ccccn21)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001207057840 1371280906 /nfs/dbraw/zinc/28/09/06/1371280906.db2.gz RSNMCSQWFMZIEF-IBGZPJMESA-N 2 1 334.467 3.288 20 0 EGADMP CN(Cc1[nH+]cc2ccccn21)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001207057840 1371280910 /nfs/dbraw/zinc/28/09/10/1371280910.db2.gz RSNMCSQWFMZIEF-IBGZPJMESA-N 2 1 334.467 3.288 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC001119365019 1371322648 /nfs/dbraw/zinc/32/26/48/1371322648.db2.gz WPAHTKPDHQZDJS-SJORKVTESA-N 2 1 337.467 3.225 20 0 EGADMP C[N@H+]1CCN(CC2CC[NH+](Cc3ccccc3)CC2)C2(CCCC2)C1 ZINC001207295375 1371354532 /nfs/dbraw/zinc/35/45/32/1371354532.db2.gz OFQWVPXXDQXVOP-UHFFFAOYSA-N 2 1 341.543 3.459 20 0 EGADMP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326201831 1388127015 /nfs/dbraw/zinc/12/70/15/1388127015.db2.gz KLTLSFANEAOECQ-UHFFFAOYSA-N 2 1 346.425 3.321 20 0 EGADMP CC1(C)C[C@H](C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CCO1 ZINC001207353286 1371370528 /nfs/dbraw/zinc/37/05/28/1371370528.db2.gz FJRLXXKGBKASEB-IKGGRYGDSA-N 2 1 334.529 3.317 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)CC1 ZINC001207397176 1371384443 /nfs/dbraw/zinc/38/44/43/1371384443.db2.gz FKXLHXFELHVODW-FCHUYYIVSA-N 2 1 342.527 3.440 20 0 EGADMP C[NH+]1CCC(C[NH+]2CCN([C@H]3CCCc4ccccc43)CC2)CC1 ZINC001207399569 1371384681 /nfs/dbraw/zinc/38/46/81/1371384681.db2.gz MYWDNPRDCQQCSO-NRFANRHFSA-N 2 1 327.516 3.023 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CC[C@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001207399860 1371384787 /nfs/dbraw/zinc/38/47/87/1371384787.db2.gz XCPPLYSHYGMPCP-OAQYLSRUSA-N 2 1 327.516 3.069 20 0 EGADMP COC[C@@H](C)[N@@H+](CCC1CC[NH+](C)CC1)Cc1cccc(OC)c1 ZINC001207486928 1371410858 /nfs/dbraw/zinc/41/08/58/1371410858.db2.gz OXWFXUHFDJRXKU-QGZVFWFLSA-N 2 1 334.504 3.264 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540728 1371430556 /nfs/dbraw/zinc/43/05/56/1371430556.db2.gz BQOIUXLCRFGMFS-PIMGTZPVSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001207540728 1371430559 /nfs/dbraw/zinc/43/05/59/1371430559.db2.gz BQOIUXLCRFGMFS-PIMGTZPVSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001207540728 1371430563 /nfs/dbraw/zinc/43/05/63/1371430563.db2.gz BQOIUXLCRFGMFS-PIMGTZPVSA-N 2 1 347.547 3.186 20 0 EGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](CCCc2ccc(OC)cc2)CC1 ZINC001207582695 1371442660 /nfs/dbraw/zinc/44/26/60/1371442660.db2.gz PBSXLLHDISWPLO-HXUWFJFHSA-N 2 1 346.515 3.203 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](CCCc2ccc(OC)cc2)CC1 ZINC001207582695 1371442663 /nfs/dbraw/zinc/44/26/63/1371442663.db2.gz PBSXLLHDISWPLO-HXUWFJFHSA-N 2 1 346.515 3.203 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3csc(-c4ccccn4)n3)C[C@@H]2C1 ZINC001119990326 1371444553 /nfs/dbraw/zinc/44/45/53/1371444553.db2.gz VQBKYNOUPZPZPC-YQQAZPJKSA-N 2 1 342.512 3.367 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC3=CCCCC3)CCCCC2)C1 ZINC001120009719 1371453284 /nfs/dbraw/zinc/45/32/84/1371453284.db2.gz DGVGEQVOONNQKX-LJQANCHMSA-N 2 1 347.547 3.237 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001120141424 1371494473 /nfs/dbraw/zinc/49/44/73/1371494473.db2.gz XXRVFECOAPIETR-UHFFFAOYSA-N 2 1 334.508 3.036 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCCC1 ZINC001120207796 1371504496 /nfs/dbraw/zinc/50/44/96/1371504496.db2.gz GHRFIJMLLNEBAW-IAGOWNOFSA-N 2 1 341.515 3.018 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120431262 1371573585 /nfs/dbraw/zinc/57/35/85/1371573585.db2.gz QXJPJPJTTGSAHV-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208049742 1371580623 /nfs/dbraw/zinc/58/06/23/1371580623.db2.gz QMMJIQYQKZQLFO-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@@H]([NH2+]CCCC(C)C)C1 ZINC001208074144 1371588153 /nfs/dbraw/zinc/58/81/53/1371588153.db2.gz SQWPAZLUUPLZNJ-ZWKOTPCHSA-N 2 1 348.535 3.413 20 0 EGADMP C[C@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)CCCN1C(=O)OC(C)(C)C ZINC001208110332 1371597442 /nfs/dbraw/zinc/59/74/42/1371597442.db2.gz YLVVVEGOVOMPGA-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP CC[N@@H+](CC1(C)CC[NH+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208110328 1371598042 /nfs/dbraw/zinc/59/80/42/1371598042.db2.gz YKDDQIRAVWBPCD-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422786 1371762556 /nfs/dbraw/zinc/76/25/56/1371762556.db2.gz XZUDWRCJYKTUJY-KTJBFALPSA-N 2 1 347.503 3.138 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422786 1371762560 /nfs/dbraw/zinc/76/25/60/1371762560.db2.gz XZUDWRCJYKTUJY-KTJBFALPSA-N 2 1 347.503 3.138 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001208448087 1371769654 /nfs/dbraw/zinc/76/96/54/1371769654.db2.gz VBTZWMXYCRXKHW-MJGOQNOKSA-N 2 1 345.531 3.367 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C)[NH+](CC)CC ZINC001208575252 1371823727 /nfs/dbraw/zinc/82/37/27/1371823727.db2.gz LXYNAOJEFHMVEL-RLLQIKCJSA-N 2 1 349.563 3.434 20 0 EGADMP C[N@H+]1C[C@@H]2CCCN(C[C@H]3CCCC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC001208588920 1371829719 /nfs/dbraw/zinc/82/97/19/1371829719.db2.gz MXYOKCLZDZDZOC-PWRODBHTSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1C[C@@H]2CCCN(C[C@H]3CCCC[N@@H+]3Cc3ccccc3)[C@@H]2C1 ZINC001208588920 1371829723 /nfs/dbraw/zinc/82/97/23/1371829723.db2.gz MXYOKCLZDZDZOC-PWRODBHTSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1C[C@@H]2CCCN(C[C@H]3CCCC[N@H+]3Cc3ccccc3)[C@@H]2C1 ZINC001208588920 1371829728 /nfs/dbraw/zinc/82/97/28/1371829728.db2.gz MXYOKCLZDZDZOC-PWRODBHTSA-N 2 1 327.516 3.067 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)CC1 ZINC001208595227 1371833707 /nfs/dbraw/zinc/83/37/07/1371833707.db2.gz SMWVDFUIANVDSM-IBGZPJMESA-N 2 1 339.524 3.098 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](Cc2ccccc2)[C@@H](C)CC(=O)OC)CC1 ZINC001208601613 1371836046 /nfs/dbraw/zinc/83/60/46/1371836046.db2.gz NVJJWDVKBUKJIK-KRWDZBQOSA-N 2 1 332.488 3.172 20 0 EGADMP Cc1cc(N2CCN(C[C@H]3CCC[N@H+](C)C3)CC2)c2ccccc2[nH+]1 ZINC001208606453 1371838491 /nfs/dbraw/zinc/83/84/91/1371838491.db2.gz GFZAXSIKBOLXDW-SFHVURJKSA-N 2 1 338.499 3.007 20 0 EGADMP Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001208617280 1371842719 /nfs/dbraw/zinc/84/27/19/1371842719.db2.gz OPQPBBBSDOUGCX-OKYOBFRVSA-N 2 1 345.535 3.220 20 0 EGADMP Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001208617280 1371842723 /nfs/dbraw/zinc/84/27/23/1371842723.db2.gz OPQPBBBSDOUGCX-OKYOBFRVSA-N 2 1 345.535 3.220 20 0 EGADMP Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCC[N@H+](C)C1 ZINC001208617280 1371842727 /nfs/dbraw/zinc/84/27/27/1371842727.db2.gz OPQPBBBSDOUGCX-OKYOBFRVSA-N 2 1 345.535 3.220 20 0 EGADMP Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCC[N@@H+](C)C1 ZINC001208617280 1371842730 /nfs/dbraw/zinc/84/27/30/1371842730.db2.gz OPQPBBBSDOUGCX-OKYOBFRVSA-N 2 1 345.535 3.220 20 0 EGADMP COCC[N@H+]1CCO[C@@H]2C[NH+](CC[C@H](C)CC(C)(C)C)CC[C@@H]2C1 ZINC001208658796 1371853356 /nfs/dbraw/zinc/85/33/56/1371853356.db2.gz BWEYXYUWWDIFPZ-IPMKNSEASA-N 2 1 340.552 3.118 20 0 EGADMP COCC[NH+]1CCO[C@@H]2C[N@H+](CC[C@H](C)CC(C)(C)C)CC[C@@H]2C1 ZINC001208658796 1371853360 /nfs/dbraw/zinc/85/33/60/1371853360.db2.gz BWEYXYUWWDIFPZ-IPMKNSEASA-N 2 1 340.552 3.118 20 0 EGADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](CC[C@H](C)CC(C)(C)C)CC[C@@H]2C1 ZINC001208658796 1371853362 /nfs/dbraw/zinc/85/33/62/1371853362.db2.gz BWEYXYUWWDIFPZ-IPMKNSEASA-N 2 1 340.552 3.118 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208758915 1371885894 /nfs/dbraw/zinc/88/58/94/1371885894.db2.gz OATVPJJSEZLLQA-GOSISDBHSA-N 2 1 335.536 3.188 20 0 EGADMP CC[C@H](CCC(=O)OC)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208795796 1371899517 /nfs/dbraw/zinc/89/95/17/1371899517.db2.gz GMARRRHUMVGLQO-QUCCMNQESA-N 2 1 346.515 3.420 20 0 EGADMP CC[C@H](CCC(=O)OC)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208795796 1371899518 /nfs/dbraw/zinc/89/95/18/1371899518.db2.gz GMARRRHUMVGLQO-QUCCMNQESA-N 2 1 346.515 3.420 20 0 EGADMP CC[C@H](CCC(=O)OC)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208795796 1371899521 /nfs/dbraw/zinc/89/95/21/1371899521.db2.gz GMARRRHUMVGLQO-QUCCMNQESA-N 2 1 346.515 3.420 20 0 EGADMP OCC[C@@H]1CC12CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208930432 1371949853 /nfs/dbraw/zinc/94/98/53/1371949853.db2.gz BDOAMVITXDWGHB-NHCUHLMSSA-N 2 1 342.527 3.383 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]1C ZINC001208938702 1371953693 /nfs/dbraw/zinc/95/36/93/1371953693.db2.gz DGMXTHMQOJAVSI-YZGWKJHDSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]1C ZINC001208938702 1371953697 /nfs/dbraw/zinc/95/36/97/1371953697.db2.gz DGMXTHMQOJAVSI-YZGWKJHDSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC001208938702 1371953699 /nfs/dbraw/zinc/95/36/99/1371953699.db2.gz DGMXTHMQOJAVSI-YZGWKJHDSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC001208938702 1371953703 /nfs/dbraw/zinc/95/37/03/1371953703.db2.gz DGMXTHMQOJAVSI-YZGWKJHDSA-N 2 1 344.499 3.172 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CC[C@@H](COCC4CC4)C3)C2)cc1 ZINC001208951294 1371960184 /nfs/dbraw/zinc/96/01/84/1371960184.db2.gz BKYPOFAZJGACNS-NHCUHLMSSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CC[C@@H](COCC4CC4)C3)C2)cc1 ZINC001208951294 1371960190 /nfs/dbraw/zinc/96/01/90/1371960190.db2.gz BKYPOFAZJGACNS-NHCUHLMSSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CC[C@@H](COCC4CC4)C3)C2)cc1 ZINC001208951294 1371960203 /nfs/dbraw/zinc/96/02/03/1371960203.db2.gz BKYPOFAZJGACNS-NHCUHLMSSA-N 2 1 328.500 3.257 20 0 EGADMP Cc1nnc([C@H]2CCC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC001208955804 1371962441 /nfs/dbraw/zinc/96/24/41/1371962441.db2.gz FRIUCPDKLDMDHW-OALUTQOASA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nnc([C@H]2CCC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC001208955804 1371962446 /nfs/dbraw/zinc/96/24/46/1371962446.db2.gz FRIUCPDKLDMDHW-OALUTQOASA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nnc([C@H]2CCC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC001208955804 1371962448 /nfs/dbraw/zinc/96/24/48/1371962448.db2.gz FRIUCPDKLDMDHW-OALUTQOASA-N 2 1 340.471 3.080 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142162 1372012478 /nfs/dbraw/zinc/01/24/78/1372012478.db2.gz GJPZXARBMNGIFP-GUDVDZBRSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209142162 1372012483 /nfs/dbraw/zinc/01/24/83/1372012483.db2.gz GJPZXARBMNGIFP-GUDVDZBRSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209142162 1372012487 /nfs/dbraw/zinc/01/24/87/1372012487.db2.gz GJPZXARBMNGIFP-GUDVDZBRSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H]3CN(CCOc4ccccc4)C[C@H]3C2)cc1 ZINC001209296910 1372062254 /nfs/dbraw/zinc/06/22/54/1372062254.db2.gz LHKBMZLIWKCCEH-OYRHEFFESA-N 2 1 336.479 3.438 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](CCOc4ccccc4)C[C@@H]3C2)cc1 ZINC001209296910 1372062258 /nfs/dbraw/zinc/06/22/58/1372062258.db2.gz LHKBMZLIWKCCEH-OYRHEFFESA-N 2 1 336.479 3.438 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](CCOc4ccccc4)C[C@@H]3C2)cc1 ZINC001209296910 1372062271 /nfs/dbraw/zinc/06/22/71/1372062271.db2.gz LHKBMZLIWKCCEH-OYRHEFFESA-N 2 1 336.479 3.438 20 0 EGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CCCC4OCCO4)C3)CC2)cc1 ZINC001209313985 1372065676 /nfs/dbraw/zinc/06/56/76/1372065676.db2.gz ZEOWDACFULVGIU-UHFFFAOYSA-N 2 1 344.499 3.128 20 0 EGADMP C[C@@H]1CC(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C[C@@H](C)O1 ZINC001209392281 1372088626 /nfs/dbraw/zinc/08/86/26/1372088626.db2.gz YOXAFBWYMJXNIR-DGQTTZFYSA-N 2 1 328.500 3.254 20 0 EGADMP C[C@@H]1CC(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[C@@H](C)O1 ZINC001209392281 1372088629 /nfs/dbraw/zinc/08/86/29/1372088629.db2.gz YOXAFBWYMJXNIR-DGQTTZFYSA-N 2 1 328.500 3.254 20 0 EGADMP C[C@@H]1CC(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[C@@H](C)O1 ZINC001209392281 1372088633 /nfs/dbraw/zinc/08/86/33/1372088633.db2.gz YOXAFBWYMJXNIR-DGQTTZFYSA-N 2 1 328.500 3.254 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001209488865 1372119406 /nfs/dbraw/zinc/11/94/06/1372119406.db2.gz TVXXCWKWEDYATJ-ZHALLVOQSA-N 2 1 348.535 3.090 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001209488865 1372119410 /nfs/dbraw/zinc/11/94/10/1372119410.db2.gz TVXXCWKWEDYATJ-ZHALLVOQSA-N 2 1 348.535 3.090 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCCCF)C[C@H]1C ZINC001209565645 1372137969 /nfs/dbraw/zinc/13/79/69/1372137969.db2.gz GEPJWUUNUBNIQR-QZTJIDSGSA-N 2 1 343.531 3.075 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1C ZINC001209565645 1372137972 /nfs/dbraw/zinc/13/79/72/1372137972.db2.gz GEPJWUUNUBNIQR-QZTJIDSGSA-N 2 1 343.531 3.075 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C ZINC001209565645 1372137975 /nfs/dbraw/zinc/13/79/75/1372137975.db2.gz GEPJWUUNUBNIQR-QZTJIDSGSA-N 2 1 343.531 3.075 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C)C(C)C ZINC001209586268 1372143619 /nfs/dbraw/zinc/14/36/19/1372143619.db2.gz ZIXLNSKRQPICOY-GUDVDZBRSA-N 2 1 339.568 3.226 20 0 EGADMP COc1cc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc2c1OCO2 ZINC001209716973 1372176760 /nfs/dbraw/zinc/17/67/60/1372176760.db2.gz SIAMYRPRNCIRPX-IRXDYDNUSA-N 2 1 346.471 3.263 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc2c1OCO2 ZINC001209716973 1372176763 /nfs/dbraw/zinc/17/67/63/1372176763.db2.gz SIAMYRPRNCIRPX-IRXDYDNUSA-N 2 1 346.471 3.263 20 0 EGADMP COc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cc2c1OCO2 ZINC001209716973 1372176766 /nfs/dbraw/zinc/17/67/66/1372176766.db2.gz SIAMYRPRNCIRPX-IRXDYDNUSA-N 2 1 346.471 3.263 20 0 EGADMP COc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cc2c1OCO2 ZINC001209716973 1372176769 /nfs/dbraw/zinc/17/67/69/1372176769.db2.gz SIAMYRPRNCIRPX-IRXDYDNUSA-N 2 1 346.471 3.263 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209883732 1372222443 /nfs/dbraw/zinc/22/24/43/1372222443.db2.gz OKYOVKFDPAXLEU-MJRGOJFPSA-N 2 1 346.519 3.334 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001209951483 1372240163 /nfs/dbraw/zinc/24/01/63/1372240163.db2.gz LNAMVVLFLHZEFK-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210411569 1372345555 /nfs/dbraw/zinc/34/55/55/1372345555.db2.gz HRIKANGSKYXINM-GPMSIDNRSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001210782287 1372425439 /nfs/dbraw/zinc/42/54/39/1372425439.db2.gz KIFLUKBSFHNDOV-MOPGFXCFSA-N 2 1 345.531 3.369 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001211257933 1372514361 /nfs/dbraw/zinc/51/43/61/1372514361.db2.gz XLCDCFVCRDKZBY-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211375880 1372543970 /nfs/dbraw/zinc/54/39/70/1372543970.db2.gz CKDOYOPDRLKCAD-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](C)CCOc1cccc(Nc2cc[nH+]cc2C(F)(F)F)c1 ZINC001212802816 1372775784 /nfs/dbraw/zinc/77/57/84/1372775784.db2.gz JRNOMMMJAQNDFJ-UHFFFAOYSA-N 2 1 325.334 3.206 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC001127344137 1373117563 /nfs/dbraw/zinc/11/75/63/1373117563.db2.gz GKRCCOBUDGDRET-PKOBYXMFSA-N 2 1 343.515 3.108 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001214780213 1373118088 /nfs/dbraw/zinc/11/80/88/1373118088.db2.gz PONULPJAKVCGDO-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001214855489 1373130081 /nfs/dbraw/zinc/13/00/81/1373130081.db2.gz DDFDCORNRLYQJL-FGTMMUONSA-N 2 1 337.552 3.122 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001215019699 1373157281 /nfs/dbraw/zinc/15/72/81/1373157281.db2.gz CNNSFYDFLGIEGV-WIDBLJPWSA-N 2 1 349.563 3.432 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+]CCC1CCCCC1 ZINC001127686273 1373161769 /nfs/dbraw/zinc/16/17/69/1373161769.db2.gz XJVAKNIBJXUWNC-MRXNPFEDSA-N 2 1 334.508 3.073 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001216323590 1373300146 /nfs/dbraw/zinc/30/01/46/1373300146.db2.gz HTIVYOAZRCZTQO-GUCYOMCDSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001216844445 1373349743 /nfs/dbraw/zinc/34/97/43/1373349743.db2.gz BYFICKGLSRARTA-MOZIWPGPSA-N 2 1 335.536 3.044 20 0 EGADMP C[N@@H+](CC(=O)NCC[NH2+]Cc1ccc(C2CCCC2)cc1)C1CCC1 ZINC001129532355 1373394865 /nfs/dbraw/zinc/39/48/65/1373394865.db2.gz YXAGSVGJRXIZDF-UHFFFAOYSA-N 2 1 343.515 3.034 20 0 EGADMP CC[C@H]([NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC)c1ccc(Cl)cc1 ZINC001130427135 1373534162 /nfs/dbraw/zinc/53/41/62/1373534162.db2.gz JXCFUYVNCUYZCZ-INIZCTEOSA-N 2 1 339.911 3.227 20 0 EGADMP C[N@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@H]2CC[NH2+]C2)cc13 ZINC001218183228 1373574425 /nfs/dbraw/zinc/57/44/25/1373574425.db2.gz NIKBSYJITFAZCA-UYWIDEMCSA-N 2 1 326.484 3.116 20 0 EGADMP O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)[C@@]12CC[C@@H]1C[NH2+]C2 ZINC001218848615 1373660643 /nfs/dbraw/zinc/66/06/43/1373660643.db2.gz PAPRPZAETWJBGZ-DENIHFKCSA-N 2 1 347.462 3.141 20 0 EGADMP O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)[C@@]12CC[C@@H]1C[NH2+]C2 ZINC001218848615 1373660645 /nfs/dbraw/zinc/66/06/45/1373660645.db2.gz PAPRPZAETWJBGZ-DENIHFKCSA-N 2 1 347.462 3.141 20 0 EGADMP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222092529 1373816966 /nfs/dbraw/zinc/81/69/66/1373816966.db2.gz RITDQZJZMIOOLU-SGSXCFNPSA-N 2 1 343.515 3.055 20 0 EGADMP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222092529 1373816971 /nfs/dbraw/zinc/81/69/71/1373816971.db2.gz RITDQZJZMIOOLU-SGSXCFNPSA-N 2 1 343.515 3.055 20 0 EGADMP c1ncn(-c2cccc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)c2)n1 ZINC001222173323 1373818546 /nfs/dbraw/zinc/81/85/46/1373818546.db2.gz TUUWKNMKCNXGNZ-HXUWFJFHSA-N 2 1 339.487 3.013 20 0 EGADMP Nc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222272277 1373822862 /nfs/dbraw/zinc/82/28/62/1373822862.db2.gz PSYYLGUGLZFARR-INIZCTEOSA-N 2 1 343.393 3.133 20 0 EGADMP Nc1ccc(OC(F)(F)F)cc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222272277 1373822868 /nfs/dbraw/zinc/82/28/68/1373822868.db2.gz PSYYLGUGLZFARR-INIZCTEOSA-N 2 1 343.393 3.133 20 0 EGADMP COc1ccc2nccc(C[N@@H+]3CCC[C@]4(CCC[NH2+]C4)C3)c2c1 ZINC001222272665 1373823015 /nfs/dbraw/zinc/82/30/15/1373823015.db2.gz YRCPRHUUSOODPQ-FQEVSTJZSA-N 2 1 325.456 3.209 20 0 EGADMP COc1ccc2nccc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)c2c1 ZINC001222272665 1373823017 /nfs/dbraw/zinc/82/30/17/1373823017.db2.gz YRCPRHUUSOODPQ-FQEVSTJZSA-N 2 1 325.456 3.209 20 0 EGADMP COc1ncc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c2ccccc21 ZINC001222272293 1373823094 /nfs/dbraw/zinc/82/30/94/1373823094.db2.gz QFJRUUNCNZWIBG-FQEVSTJZSA-N 2 1 325.456 3.209 20 0 EGADMP COc1ncc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c2ccccc21 ZINC001222272293 1373823098 /nfs/dbraw/zinc/82/30/98/1373823098.db2.gz QFJRUUNCNZWIBG-FQEVSTJZSA-N 2 1 325.456 3.209 20 0 EGADMP C[NH+]1CCC(c2ccc(C(=O)NCc3[nH+]cn4ccccc34)cc2)CC1 ZINC001188329967 1388291796 /nfs/dbraw/zinc/29/17/96/1388291796.db2.gz AHUIJTWMFPSODZ-UHFFFAOYSA-N 2 1 348.450 3.074 20 0 EGADMP CC[N@H+]1CC[C@H](OC[C@]2(C)C[NH+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152548 1375096124 /nfs/dbraw/zinc/09/61/24/1375096124.db2.gz VJZVEVKCFGDCNV-FPOVZHCZSA-N 2 1 346.515 3.167 20 0 EGADMP CC[NH+]1CC[C@H](OC[C@]2(C)C[N@H+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152548 1375096129 /nfs/dbraw/zinc/09/61/29/1375096129.db2.gz VJZVEVKCFGDCNV-FPOVZHCZSA-N 2 1 346.515 3.167 20 0 EGADMP CC[NH+]1CC[C@H](OC[C@]2(C)C[N@@H+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152548 1375096134 /nfs/dbraw/zinc/09/61/34/1375096134.db2.gz VJZVEVKCFGDCNV-FPOVZHCZSA-N 2 1 346.515 3.167 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001225244725 1375099466 /nfs/dbraw/zinc/09/94/66/1375099466.db2.gz MCMOHROTQGQVQV-GOSISDBHSA-N 2 1 345.531 3.308 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCC1CCCCC1 ZINC001132105200 1375150600 /nfs/dbraw/zinc/15/06/00/1375150600.db2.gz CLLNQTIJBLRRKQ-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCCC(C)(C)C ZINC001132105033 1375150661 /nfs/dbraw/zinc/15/06/61/1375150661.db2.gz AIOGSGXEAVBFFR-IRXDYDNUSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCCC1CCC1 ZINC001132107478 1375151089 /nfs/dbraw/zinc/15/10/89/1375151089.db2.gz ZGLKVHPCQMKCRS-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132157657 1375176383 /nfs/dbraw/zinc/17/63/83/1375176383.db2.gz RVXQZPOLATXALT-SJLPKXTDSA-N 2 1 342.487 3.497 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@H+]1CC1CCC1 ZINC001132210318 1375211823 /nfs/dbraw/zinc/21/18/23/1375211823.db2.gz GGOHFNHWYUGFAV-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132212364 1375212193 /nfs/dbraw/zinc/21/21/93/1375212193.db2.gz XFJDQYQDOQBGAG-ROUUACIJSA-N 2 1 337.552 3.410 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CCC1CCCCC1 ZINC001132265499 1375254217 /nfs/dbraw/zinc/25/42/17/1375254217.db2.gz NVNDZWXHUDUGTI-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001132264746 1375254258 /nfs/dbraw/zinc/25/42/58/1375254258.db2.gz BAHMCKDHRPDRJW-RDJZCZTQSA-N 2 1 335.492 3.114 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001132264746 1375254261 /nfs/dbraw/zinc/25/42/61/1375254261.db2.gz BAHMCKDHRPDRJW-RDJZCZTQSA-N 2 1 335.492 3.114 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CCC1=CCCCC1 ZINC001132268710 1375256166 /nfs/dbraw/zinc/25/61/66/1375256166.db2.gz AWLIFOIUIZMTDN-HKUYNNGSSA-N 2 1 335.536 3.188 20 0 EGADMP CCc1ccccc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132270262 1375257285 /nfs/dbraw/zinc/25/72/85/1375257285.db2.gz RNYUZMJCJOANFG-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335278 1375314621 /nfs/dbraw/zinc/31/46/21/1375314621.db2.gz MARMWFCQICPNET-IRXDYDNUSA-N 2 1 334.508 3.166 20 0 EGADMP CCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335278 1375314627 /nfs/dbraw/zinc/31/46/27/1375314627.db2.gz MARMWFCQICPNET-IRXDYDNUSA-N 2 1 334.508 3.166 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132339889 1375317912 /nfs/dbraw/zinc/31/79/12/1375317912.db2.gz KZPNEVLAILHFDR-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132365654 1375330314 /nfs/dbraw/zinc/33/03/14/1375330314.db2.gz NMGGPVLHXNWPQZ-APWZRJJASA-N 2 1 348.535 3.377 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132365654 1375330317 /nfs/dbraw/zinc/33/03/17/1375330317.db2.gz NMGGPVLHXNWPQZ-APWZRJJASA-N 2 1 348.535 3.377 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001132376723 1375339410 /nfs/dbraw/zinc/33/94/10/1375339410.db2.gz PUKHENZMYFKYLN-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001132425990 1375372632 /nfs/dbraw/zinc/37/26/32/1375372632.db2.gz QHURUDWWYCECAZ-IRXDYDNUSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001132425990 1375372636 /nfs/dbraw/zinc/37/26/36/1375372636.db2.gz QHURUDWWYCECAZ-IRXDYDNUSA-N 2 1 346.519 3.167 20 0 EGADMP Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]2C)c1 ZINC001132432269 1375377527 /nfs/dbraw/zinc/37/75/27/1375377527.db2.gz BMHZZWPAPBXUAV-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132434517 1375378572 /nfs/dbraw/zinc/37/85/72/1375378572.db2.gz YADLMRFDKROBSB-SJLPKXTDSA-N 2 1 325.541 3.124 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1Cc1ccc(F)cc1 ZINC001132433237 1375378584 /nfs/dbraw/zinc/37/85/84/1375378584.db2.gz LHTXEPURBNGYKC-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(F)cc2)C1 ZINC001132437146 1375382630 /nfs/dbraw/zinc/38/26/30/1375382630.db2.gz QROSXRGVJUZGOO-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cc2)C1 ZINC001132437146 1375382633 /nfs/dbraw/zinc/38/26/33/1375382633.db2.gz QROSXRGVJUZGOO-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)cc2)C1 ZINC001132437146 1375382635 /nfs/dbraw/zinc/38/26/35/1375382635.db2.gz QROSXRGVJUZGOO-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132442034 1375386117 /nfs/dbraw/zinc/38/61/17/1375386117.db2.gz VWPHVFJFRZVWDA-HKUYNNGSSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001132442034 1375386119 /nfs/dbraw/zinc/38/61/19/1375386119.db2.gz VWPHVFJFRZVWDA-HKUYNNGSSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001132442034 1375386124 /nfs/dbraw/zinc/38/61/24/1375386124.db2.gz VWPHVFJFRZVWDA-HKUYNNGSSA-N 2 1 335.536 3.188 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[N@H+]1CCC1CC1 ZINC001132494658 1375424109 /nfs/dbraw/zinc/42/41/09/1375424109.db2.gz VSLXUCIUOSIOHB-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CCc1ccccc1C[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132521234 1375438563 /nfs/dbraw/zinc/43/85/63/1375438563.db2.gz ABRPLADUWGUCGW-FXAWDEMLSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1ccccc1C[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132521234 1375438567 /nfs/dbraw/zinc/43/85/67/1375438567.db2.gz ABRPLADUWGUCGW-FXAWDEMLSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1ccccc1C[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132521234 1375438571 /nfs/dbraw/zinc/43/85/71/1375438571.db2.gz ABRPLADUWGUCGW-FXAWDEMLSA-N 2 1 345.531 3.058 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CC1CC(C)(C)C1 ZINC001132525491 1375441688 /nfs/dbraw/zinc/44/16/88/1375441688.db2.gz SMQZFBBKHZTEFE-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1)C1CCCCC1 ZINC001227727703 1375466547 /nfs/dbraw/zinc/46/65/47/1375466547.db2.gz HPVGAQLSPQCIDN-WOJBJXKFSA-N 2 1 349.563 3.458 20 0 EGADMP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001227791272 1375475164 /nfs/dbraw/zinc/47/51/64/1375475164.db2.gz BIWRRWULLKLLRE-XDXAGZTOSA-N 2 1 344.503 3.088 20 0 EGADMP CC/C=C\CC[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001227792782 1375475884 /nfs/dbraw/zinc/47/58/84/1375475884.db2.gz VPLLKXPAHNPNJY-VOFKWLDRSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001227877434 1375485964 /nfs/dbraw/zinc/48/59/64/1375485964.db2.gz ROQJSSABHQAQMC-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NC1CC[NH+](CCCC2CCCC2)CC1 ZINC001227876249 1375486224 /nfs/dbraw/zinc/48/62/24/1375486224.db2.gz GATXTSPYTQBSRV-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC001132739564 1375539479 /nfs/dbraw/zinc/53/94/79/1375539479.db2.gz RVVXSKNLOCZZAG-PKOBYXMFSA-N 2 1 349.494 3.105 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001229126455 1375770544 /nfs/dbraw/zinc/77/05/44/1375770544.db2.gz JMPZSSHRBBNTTA-XOIGSVRCSA-N 2 1 346.519 3.345 20 0 EGADMP CCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[N@H+](C)CC)cc1 ZINC001229524025 1375850985 /nfs/dbraw/zinc/85/09/85/1375850985.db2.gz MEQJKZMIYJVLSQ-WOJBJXKFSA-N 2 1 345.531 3.108 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1C ZINC001229859862 1375905731 /nfs/dbraw/zinc/90/57/31/1375905731.db2.gz GCTRJCFKTJMROF-DFQSSKMNSA-N 2 1 345.531 3.415 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001229868138 1375909033 /nfs/dbraw/zinc/90/90/33/1375909033.db2.gz AABUTVDTVGOXLE-RTBURBONSA-N 2 1 335.536 3.236 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CCCC(C)C)C[C@H]32)C1 ZINC001188917032 1388408576 /nfs/dbraw/zinc/40/85/76/1388408576.db2.gz AIFSIQGDHWKVBC-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@H+](CCCC(C)C)C[C@H]32)C1 ZINC001188917032 1388408577 /nfs/dbraw/zinc/40/85/77/1388408577.db2.gz AIFSIQGDHWKVBC-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCCC(C)C)C[C@H]32)C1 ZINC001188917032 1388408579 /nfs/dbraw/zinc/40/85/79/1388408579.db2.gz AIFSIQGDHWKVBC-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001230016628 1375931391 /nfs/dbraw/zinc/93/13/91/1375931391.db2.gz QRGIXAXEFOCXRJ-XLIONFOSSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+](CCC2CCCCC2)CC1 ZINC001230107736 1375944775 /nfs/dbraw/zinc/94/47/75/1375944775.db2.gz VXGNKEAACJBYPN-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001230274636 1375980590 /nfs/dbraw/zinc/98/05/90/1375980590.db2.gz DETJNGXMAPDYNN-AXTJNSDUSA-N 2 1 335.536 3.234 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@H+](C)C(C)C)c1 ZINC001230284408 1375983886 /nfs/dbraw/zinc/98/38/86/1375983886.db2.gz CUYRKVWLZORZRH-DFQSSKMNSA-N 2 1 345.531 3.413 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610477 1376098959 /nfs/dbraw/zinc/09/89/59/1376098959.db2.gz BZEBFSDTGWJYPK-WHXUGTBJSA-N 2 1 349.563 3.388 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)c1cccc2ccccc21 ZINC001133834480 1376224174 /nfs/dbraw/zinc/22/41/74/1376224174.db2.gz YZIZELWXHDRYOP-IRXDYDNUSA-N 2 1 339.483 3.091 20 0 EGADMP Fc1ccc(F)c(O[C@@H]2CC[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001232013761 1376381537 /nfs/dbraw/zinc/38/15/37/1376381537.db2.gz FFDUJSZZXJPOEK-OAHLLOKOSA-N 2 1 329.350 3.494 20 0 EGADMP Fc1ccc(F)c(O[C@@H]2CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001232013761 1376381544 /nfs/dbraw/zinc/38/15/44/1376381544.db2.gz FFDUJSZZXJPOEK-OAHLLOKOSA-N 2 1 329.350 3.494 20 0 EGADMP CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001232012513 1376383037 /nfs/dbraw/zinc/38/30/37/1376383037.db2.gz JPRSDKAZLCZTFP-RHSMWYFYSA-N 2 1 342.443 3.004 20 0 EGADMP C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232019186 1376385441 /nfs/dbraw/zinc/38/54/41/1376385441.db2.gz XMNMFTBYLIZHJE-XJKSGUPXSA-N 2 1 344.459 3.441 20 0 EGADMP COc1cccnc1O[C@@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232018923 1376386273 /nfs/dbraw/zinc/38/62/73/1376386273.db2.gz QZGSBUOYBBRPLJ-MRXNPFEDSA-N 2 1 338.411 3.010 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@H]2Cc2ccccn2)c1 ZINC001232145815 1376408419 /nfs/dbraw/zinc/40/84/19/1376408419.db2.gz BIXTXCJTYZAGGB-FQEVSTJZSA-N 2 1 327.447 3.489 20 0 EGADMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](C4CCCCC4)C3)cn2)CC1 ZINC001232362356 1376448690 /nfs/dbraw/zinc/44/86/90/1376448690.db2.gz SQLPNQYMOIJVHD-FQEVSTJZSA-N 2 1 342.531 3.236 20 0 EGADMP Fc1ccnc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c1 ZINC001232495334 1376468759 /nfs/dbraw/zinc/46/87/59/1376468759.db2.gz WZJHVKTYYMVEFO-UHFFFAOYSA-N 2 1 325.431 3.319 20 0 EGADMP C[NH+](Cc1ccc(CCO)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001232779918 1376512260 /nfs/dbraw/zinc/51/22/60/1376512260.db2.gz XXYXLTCKJYMNPC-JOCHJYFZSA-N 2 1 338.495 3.175 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001134564308 1376597649 /nfs/dbraw/zinc/59/76/49/1376597649.db2.gz ZKXBURHPQQPHBE-CQSZACIVSA-N 2 1 348.878 3.127 20 0 EGADMP CC[C@@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C)c1ccc(F)cc1 ZINC001134573974 1376603929 /nfs/dbraw/zinc/60/39/29/1376603929.db2.gz JHCWNVADVKJXED-QGZVFWFLSA-N 2 1 346.450 3.003 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001134762988 1376707706 /nfs/dbraw/zinc/70/77/06/1376707706.db2.gz JTPOEEJYDQUPCG-HXUWFJFHSA-N 2 1 345.531 3.279 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)ccc1-n1ccnc1 ZINC001234033292 1376757578 /nfs/dbraw/zinc/75/75/78/1376757578.db2.gz RFVRQUUZLVTOQU-MRXNPFEDSA-N 2 1 339.361 3.450 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]21)[NH+](CC)CC ZINC001189111160 1388461442 /nfs/dbraw/zinc/46/14/42/1388461442.db2.gz WKZGBZNPEPAYHI-IPMKNSEASA-N 2 1 349.563 3.076 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC1CCCC1 ZINC001235031721 1376832078 /nfs/dbraw/zinc/83/20/78/1376832078.db2.gz GCGWIVRQKDKOKF-HXUWFJFHSA-N 2 1 330.472 3.202 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC1CCCC1 ZINC001235031721 1376832083 /nfs/dbraw/zinc/83/20/83/1376832083.db2.gz GCGWIVRQKDKOKF-HXUWFJFHSA-N 2 1 330.472 3.202 20 0 EGADMP FC(F)(F)c1ccc(Cl)cc1C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235038083 1376836843 /nfs/dbraw/zinc/83/68/43/1376836843.db2.gz SGSHIYBOAXKFDW-IAQYHMDHSA-N 2 1 348.796 3.169 20 0 EGADMP FC(F)(F)c1ccc(Cl)cc1C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235038083 1376836846 /nfs/dbraw/zinc/83/68/46/1376836846.db2.gz SGSHIYBOAXKFDW-IAQYHMDHSA-N 2 1 348.796 3.169 20 0 EGADMP C[NH+](C)CCC[N@H+](C)Cc1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC001235124148 1376853769 /nfs/dbraw/zinc/85/37/69/1376853769.db2.gz ASFCJNHYMQRLNE-UHFFFAOYSA-N 2 1 347.503 3.368 20 0 EGADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC001235124148 1376853783 /nfs/dbraw/zinc/85/37/83/1376853783.db2.gz ASFCJNHYMQRLNE-UHFFFAOYSA-N 2 1 347.503 3.368 20 0 EGADMP Clc1cccn2cc(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)nc12 ZINC001235243920 1376862646 /nfs/dbraw/zinc/86/26/46/1376862646.db2.gz ZUXQEAAZFAKYJY-QGZVFWFLSA-N 2 1 332.879 3.342 20 0 EGADMP Brc1ccoc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427726 1376869616 /nfs/dbraw/zinc/86/96/16/1376869616.db2.gz NAUSVEUGKKBDMH-OLZOCXBDSA-N 2 1 327.266 3.254 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC001235429760 1376870120 /nfs/dbraw/zinc/87/01/20/1376870120.db2.gz ZLHRXOFMJYBFMS-IRXDYDNUSA-N 2 1 347.503 3.020 20 0 EGADMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCCC1)[NH+](C)C ZINC001235589836 1376876748 /nfs/dbraw/zinc/87/67/48/1376876748.db2.gz VBJYRXSTRIIWKF-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP COCC[N@H+](Cc1ccc(Cc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC001235943457 1376919711 /nfs/dbraw/zinc/91/97/11/1376919711.db2.gz IZVRXZXBAZYNKZ-UHFFFAOYSA-N 2 1 338.495 3.478 20 0 EGADMP COCC[N@@H+](Cc1ccc(Cc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC001235943457 1376919717 /nfs/dbraw/zinc/91/97/17/1376919717.db2.gz IZVRXZXBAZYNKZ-UHFFFAOYSA-N 2 1 338.495 3.478 20 0 EGADMP [NH3+]C1CN([C@@H]2CCC[N@@H+](Cc3ccc(-c4cccs4)s3)C2)C1 ZINC001236074286 1376931421 /nfs/dbraw/zinc/93/14/21/1376931421.db2.gz WTTNNMLTVYLQEG-CQSZACIVSA-N 2 1 333.526 3.084 20 0 EGADMP COc1cccc2c1C[N@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)C2 ZINC001236077718 1376932372 /nfs/dbraw/zinc/93/23/72/1376932372.db2.gz AFANRWSGDBRDKE-UHFFFAOYSA-N 2 1 333.435 3.269 20 0 EGADMP COc1cccc2c1C[N@@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)C2 ZINC001236077718 1376932377 /nfs/dbraw/zinc/93/23/77/1376932377.db2.gz AFANRWSGDBRDKE-UHFFFAOYSA-N 2 1 333.435 3.269 20 0 EGADMP [NH3+]C1CCC([N@@H+](Cc2ccccc2)Cc2ccc3nonc3c2)CC1 ZINC001236227947 1376943403 /nfs/dbraw/zinc/94/34/03/1376943403.db2.gz PCACJESIJOIQOI-UHFFFAOYSA-N 2 1 336.439 3.495 20 0 EGADMP CCC[N@@H+](Cc1cc(OC(F)(F)F)ccc1OC)C[C@H]1CC[NH2+]C1 ZINC001236844102 1376967120 /nfs/dbraw/zinc/96/71/20/1376967120.db2.gz SVRQEDFKOMZYFV-ZDUSSCGKSA-N 2 1 346.393 3.415 20 0 EGADMP CCC[N@H+](Cc1cc(OC(F)(F)F)ccc1OC)C[C@H]1CC[NH2+]C1 ZINC001236844102 1376967123 /nfs/dbraw/zinc/96/71/23/1376967123.db2.gz SVRQEDFKOMZYFV-ZDUSSCGKSA-N 2 1 346.393 3.415 20 0 EGADMP Clc1cccc2c1C[C@H]([NH2+][C@H]1CCCC[C@@]13C[NH2+]CCO3)CC2 ZINC001246160593 1377050486 /nfs/dbraw/zinc/05/04/86/1377050486.db2.gz NTFIXNIVILSIBM-AYOQOUSVSA-N 2 1 334.891 3.088 20 0 EGADMP CC(C)[C@@H]1C[C@H]([N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246724976 1377053339 /nfs/dbraw/zinc/05/33/39/1377053339.db2.gz NOKDUCAJICKCRR-BNDYYXHWSA-N 2 1 343.515 3.339 20 0 EGADMP C[C@@H]1C[C@H](N2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CC[NH2+]1 ZINC001246755217 1377054138 /nfs/dbraw/zinc/05/41/38/1377054138.db2.gz HSXINISIGMDDPD-IAGOWNOFSA-N 2 1 333.545 3.177 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)CC[NH2+]1 ZINC001246755217 1377054142 /nfs/dbraw/zinc/05/41/42/1377054142.db2.gz HSXINISIGMDDPD-IAGOWNOFSA-N 3 1 333.545 3.177 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CC[NH2+]1 ZINC001246755217 1377054146 /nfs/dbraw/zinc/05/41/46/1377054146.db2.gz HSXINISIGMDDPD-IAGOWNOFSA-N 3 1 333.545 3.177 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ns1 ZINC001249579258 1377075796 /nfs/dbraw/zinc/07/57/96/1377075796.db2.gz RQLAIGXLTSVPQC-UHFFFAOYSA-N 2 1 342.512 3.335 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ns1 ZINC001249579258 1377075797 /nfs/dbraw/zinc/07/57/97/1377075797.db2.gz RQLAIGXLTSVPQC-UHFFFAOYSA-N 2 1 342.512 3.335 20 0 EGADMP O[C@]1(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)CCN(Cc2ccccc2)C1 ZINC001252933186 1377093616 /nfs/dbraw/zinc/09/36/16/1377093616.db2.gz FHARKZZLZBGGDR-NJYVYQBISA-N 2 1 328.500 3.136 20 0 EGADMP O[C@]1(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC001252933186 1377093620 /nfs/dbraw/zinc/09/36/20/1377093620.db2.gz FHARKZZLZBGGDR-NJYVYQBISA-N 2 1 328.500 3.136 20 0 EGADMP O[C@]1(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC001252933186 1377093624 /nfs/dbraw/zinc/09/36/24/1377093624.db2.gz FHARKZZLZBGGDR-NJYVYQBISA-N 2 1 328.500 3.136 20 0 EGADMP O[C@]1(C[NH+]2CC[C@H]3CCCC[C@@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC001252933186 1377093626 /nfs/dbraw/zinc/09/36/26/1377093626.db2.gz FHARKZZLZBGGDR-NJYVYQBISA-N 2 1 328.500 3.136 20 0 EGADMP O[C@]1(C[NH+]2CC[C@H]3CCCC[C@@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252933186 1377093629 /nfs/dbraw/zinc/09/36/29/1377093629.db2.gz FHARKZZLZBGGDR-NJYVYQBISA-N 2 1 328.500 3.136 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CCC1CCCCC1 ZINC001135436809 1377097024 /nfs/dbraw/zinc/09/70/24/1377097024.db2.gz ACZGBUFKMDUSCS-UHFFFAOYSA-N 2 1 325.541 3.175 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001135440788 1377098696 /nfs/dbraw/zinc/09/86/96/1377098696.db2.gz REGPNGZCRYIWNV-MRXNPFEDSA-N 2 1 337.483 3.105 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC001254511065 1377105065 /nfs/dbraw/zinc/10/50/65/1377105065.db2.gz UKUZYTUOVAMRCK-LJQANCHMSA-N 3 1 333.495 3.112 20 0 EGADMP CN1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC001254511065 1377105069 /nfs/dbraw/zinc/10/50/69/1377105069.db2.gz UKUZYTUOVAMRCK-LJQANCHMSA-N 2 1 333.495 3.112 20 0 EGADMP Cc1cc(F)ccc1CN1CCC([NH2+][C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254510481 1377105301 /nfs/dbraw/zinc/10/53/01/1377105301.db2.gz WUMTUZFGKBVGIA-IBGZPJMESA-N 2 1 333.495 3.172 20 0 EGADMP Cn1c2ccccc2nc1C1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254527399 1377107303 /nfs/dbraw/zinc/10/73/03/1377107303.db2.gz XSCHHTIQNPDTKC-QGZVFWFLSA-N 2 1 326.488 3.237 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477415 1377111762 /nfs/dbraw/zinc/11/17/62/1377111762.db2.gz VBQCVQMSYLCMIY-DLBZAZTESA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481241 1377113827 /nfs/dbraw/zinc/11/38/27/1377113827.db2.gz RRALNPSTVWNDET-RTBURBONSA-N 2 1 347.547 3.080 20 0 EGADMP CCC[NH+](CCC)CC[NH2+][C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258569568 1377117961 /nfs/dbraw/zinc/11/79/61/1377117961.db2.gz ZAJFYWFQSMKOHZ-FQEVSTJZSA-N 2 1 345.531 3.279 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001266182442 1377218925 /nfs/dbraw/zinc/21/89/25/1377218925.db2.gz IECMFKINYRGSSW-BEFAXECRSA-N 2 1 349.494 3.029 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135860822 1377237974 /nfs/dbraw/zinc/23/79/74/1377237974.db2.gz HZMFIEDQOLBKGD-MSOLQXFVSA-N 2 1 333.520 3.018 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135860553 1377238057 /nfs/dbraw/zinc/23/80/57/1377238057.db2.gz DKVTUEDZAQWWTP-ZWKOTPCHSA-N 2 1 333.520 3.018 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001135861142 1377238268 /nfs/dbraw/zinc/23/82/68/1377238268.db2.gz MTVAMDBZEYPEFT-CABCVRRESA-N 2 1 339.911 3.055 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001266337204 1377281369 /nfs/dbraw/zinc/28/13/69/1377281369.db2.gz ACGBVYOAOXKBMF-UHFFFAOYSA-N 2 1 348.535 3.236 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC[N@H+](C)CC1CCC(C)(C)CC1 ZINC001266337204 1377281372 /nfs/dbraw/zinc/28/13/72/1377281372.db2.gz ACGBVYOAOXKBMF-UHFFFAOYSA-N 2 1 348.535 3.236 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001135974837 1377283488 /nfs/dbraw/zinc/28/34/88/1377283488.db2.gz WKAMWKHWPQKIMK-ROUUACIJSA-N 2 1 333.520 3.100 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135979022 1377284916 /nfs/dbraw/zinc/28/49/16/1377284916.db2.gz AXBWLYBYPYEINQ-ZWKOTPCHSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001135981066 1377286573 /nfs/dbraw/zinc/28/65/73/1377286573.db2.gz XFBQGQPKLYVQID-CABCVRRESA-N 2 1 347.494 3.027 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001327308807 1388494024 /nfs/dbraw/zinc/49/40/24/1388494024.db2.gz QRGOERCGVVEHAY-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001327308807 1388494028 /nfs/dbraw/zinc/49/40/28/1388494028.db2.gz QRGOERCGVVEHAY-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001327308807 1388494029 /nfs/dbraw/zinc/49/40/29/1388494029.db2.gz QRGOERCGVVEHAY-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCC(CC)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001266877359 1377398743 /nfs/dbraw/zinc/39/87/43/1377398743.db2.gz DFECKXGQKOOJHZ-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1CCC(C)(C)CC1 ZINC001136541777 1377403511 /nfs/dbraw/zinc/40/35/11/1377403511.db2.gz NJSPABKQZFVCJF-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001267089898 1377411777 /nfs/dbraw/zinc/41/17/77/1377411777.db2.gz GSJYORJHHGAXPC-WOJBJXKFSA-N 2 1 345.531 3.162 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)CCC1CCCC1 ZINC001267250502 1377431393 /nfs/dbraw/zinc/43/13/93/1377431393.db2.gz KUGUCKMWMWBFGN-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC1CC(C)C1 ZINC001267314974 1377440503 /nfs/dbraw/zinc/44/05/03/1377440503.db2.gz XSEMREDUCNTKSW-AFMYVXGZSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CC1CC(C)C1 ZINC001267314974 1377440507 /nfs/dbraw/zinc/44/05/07/1377440507.db2.gz XSEMREDUCNTKSW-AFMYVXGZSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)CC1CC(C)C1 ZINC001267314974 1377440509 /nfs/dbraw/zinc/44/05/09/1377440509.db2.gz XSEMREDUCNTKSW-AFMYVXGZSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC001137186460 1377492929 /nfs/dbraw/zinc/49/29/29/1377492929.db2.gz VSXLAOLBYTZKIT-UHFFFAOYSA-N 2 1 327.472 3.493 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+](Cc2c[nH]c3ccc(F)cc23)CC1 ZINC001137339800 1377524101 /nfs/dbraw/zinc/52/41/01/1377524101.db2.gz DZAIVPQHFOVUOV-UHFFFAOYSA-N 2 1 346.494 3.157 20 0 EGADMP C[NH+]1CCC(C2CC[NH+](Cc3ccc(Cl)nc3F)CC2)CC1 ZINC001137476781 1377554395 /nfs/dbraw/zinc/55/43/95/1377554395.db2.gz RQBGGEFLAOUQDN-UHFFFAOYSA-N 2 1 325.859 3.428 20 0 EGADMP CN(C)c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001138494366 1377733169 /nfs/dbraw/zinc/73/31/69/1377733169.db2.gz RTJRMQBYQAOMRO-QZTJIDSGSA-N 2 1 341.524 3.378 20 0 EGADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(OC)c4cccc(OC)c34)C[C@@H]2C1 ZINC001138753798 1377780440 /nfs/dbraw/zinc/78/04/40/1377780440.db2.gz AZWZRRILWOUTGC-IRXDYDNUSA-N 2 1 340.467 3.241 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H]2c2nccs2)cc1 ZINC001138772941 1377782243 /nfs/dbraw/zinc/78/22/43/1377782243.db2.gz LMACWCRPNKBOGM-KRWDZBQOSA-N 2 1 331.485 3.421 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]2c2nccs2)cc1 ZINC001138772941 1377782244 /nfs/dbraw/zinc/78/22/44/1377782244.db2.gz LMACWCRPNKBOGM-KRWDZBQOSA-N 2 1 331.485 3.421 20 0 EGADMP CCn1ccc2ccc(C[NH+]3CCC4(CC(N(C)C)=[NH+]O4)CC3)cc21 ZINC001139123246 1377833826 /nfs/dbraw/zinc/83/38/26/1377833826.db2.gz XOJLHLMYCMCZSN-UHFFFAOYSA-N 2 1 340.471 3.291 20 0 EGADMP C[N@H+]1CC[C@]2(CCN(Cc3cc4cc(Br)ccc4[nH]3)C2)C1 ZINC001139185399 1377845830 /nfs/dbraw/zinc/84/58/30/1377845830.db2.gz VJFLQEGUWMHBPZ-KRWDZBQOSA-N 2 1 348.288 3.458 20 0 EGADMP Cc1cc(Br)c(F)cc1CN(C)C1CC[NH+](C)CC1 ZINC001140794014 1378137864 /nfs/dbraw/zinc/13/78/64/1378137864.db2.gz UDSSMVKLPBHNRP-UHFFFAOYSA-N 2 1 329.257 3.423 20 0 EGADMP C[C@@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCC[C@]1(O)C(F)(F)F ZINC001140802398 1378141322 /nfs/dbraw/zinc/14/13/22/1378141322.db2.gz UUHYUGLPASNBGK-IAQYHMDHSA-N 2 1 327.350 3.088 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCC[C@]1(O)C(F)(F)F ZINC001140802398 1378141323 /nfs/dbraw/zinc/14/13/23/1378141323.db2.gz UUHYUGLPASNBGK-IAQYHMDHSA-N 2 1 327.350 3.088 20 0 EGADMP COC(C)(C)C[N@@H+]1C[C@@H]2CC[NH+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001277584275 1378234692 /nfs/dbraw/zinc/23/46/92/1378234692.db2.gz DCANPNFOGKJVLR-GASCZTMLSA-N 2 1 336.442 3.398 20 0 EGADMP COC(C)(C)C[NH+]1C[C@@H]2CC[N@@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001277584275 1378234693 /nfs/dbraw/zinc/23/46/93/1378234693.db2.gz DCANPNFOGKJVLR-GASCZTMLSA-N 2 1 336.442 3.398 20 0 EGADMP COC(C)(C)C[NH+]1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001277584275 1378234697 /nfs/dbraw/zinc/23/46/97/1378234697.db2.gz DCANPNFOGKJVLR-GASCZTMLSA-N 2 1 336.442 3.398 20 0 EGADMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2CCc1cccc2ccccc21 ZINC001278020736 1378254837 /nfs/dbraw/zinc/25/48/37/1378254837.db2.gz DXLRCIYWDILXAY-VXKWHMMOSA-N 2 1 337.511 3.093 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[C@@]12CC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2)C(C)C ZINC001278148780 1378260083 /nfs/dbraw/zinc/26/00/83/1378260083.db2.gz PWWAHSPMYDRDIQ-ZJOUEHCJSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[C@@]12CC[NH+](C[C@H]1CCC[N@H+](C)C1)C2)C(C)C ZINC001278148780 1378260092 /nfs/dbraw/zinc/26/00/92/1378260092.db2.gz PWWAHSPMYDRDIQ-ZJOUEHCJSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[C@@]12CC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2)C(C)C ZINC001278148780 1378260098 /nfs/dbraw/zinc/26/00/98/1378260098.db2.gz PWWAHSPMYDRDIQ-ZJOUEHCJSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCC[C@@](CNC(=O)CC[N@@H+](C)C2CCCCC2)([NH+](C)C)C1 ZINC001142065126 1378410081 /nfs/dbraw/zinc/41/00/81/1378410081.db2.gz LJPWVMICILBOJT-FXAWDEMLSA-N 2 1 337.552 3.268 20 0 EGADMP Cn1cc2c(cccc2C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)n1 ZINC001142468122 1378446373 /nfs/dbraw/zinc/44/63/73/1378446373.db2.gz CGEZKBYYRDERJH-UHFFFAOYSA-N 2 1 331.423 3.391 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2 ZINC001142588022 1378462061 /nfs/dbraw/zinc/46/20/61/1378462061.db2.gz LNQXFEZFFWQXIM-FQEVSTJZSA-N 2 1 343.515 3.309 20 0 EGADMP COC(=O)Cc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001142906791 1378508076 /nfs/dbraw/zinc/50/80/76/1378508076.db2.gz XBZIVQHKRYSGIS-FQEVSTJZSA-N 2 1 344.499 3.243 20 0 EGADMP COc1ccc(F)c(C(F)(F)F)c1CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001143297675 1378575613 /nfs/dbraw/zinc/57/56/13/1378575613.db2.gz AWFHAUAUJCBDRG-NEPJUHHUSA-N 2 1 346.368 3.237 20 0 EGADMP COc1ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OC(F)(F)F ZINC001143879421 1378656913 /nfs/dbraw/zinc/65/69/13/1378656913.db2.gz KCRCKRQVVFWAOJ-MRXNPFEDSA-N 2 1 344.377 3.121 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2cccc(O)c2C)CC1 ZINC001144121010 1378685162 /nfs/dbraw/zinc/68/51/62/1378685162.db2.gz DYXUNPUODUVICZ-UHFFFAOYSA-N 2 1 347.547 3.330 20 0 EGADMP Cc1cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)c(C)s1 ZINC001146603343 1378877038 /nfs/dbraw/zinc/87/70/38/1378877038.db2.gz XEALPTAYKPEWGG-ZIAGYGMSSA-N 2 1 339.549 3.078 20 0 EGADMP CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707033 1378904418 /nfs/dbraw/zinc/90/44/18/1378904418.db2.gz MPXCXBRKVZKCDP-MSOLQXFVSA-N 2 1 333.520 3.037 20 0 EGADMP CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707033 1378904421 /nfs/dbraw/zinc/90/44/21/1378904421.db2.gz MPXCXBRKVZKCDP-MSOLQXFVSA-N 2 1 333.520 3.037 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC1CCC2(CC2)CC1 ZINC001147358541 1379008678 /nfs/dbraw/zinc/00/86/78/1379008678.db2.gz GIZGLEQSPXIGMF-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CCC/C=C\CC[NH2+]CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001147456946 1379025065 /nfs/dbraw/zinc/02/50/65/1379025065.db2.gz AHDWKWCYVHVHGP-QULHZPMSSA-N 2 1 331.504 3.132 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH2+]C[C@@H](C)CC(C)C)c1ccccc1 ZINC001147458637 1379025528 /nfs/dbraw/zinc/02/55/28/1379025528.db2.gz MDVHWPJFKXJIID-HKUYNNGSSA-N 2 1 333.520 3.067 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001147558159 1379042461 /nfs/dbraw/zinc/04/24/61/1379042461.db2.gz NTWBSHFMJOMBKZ-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CC3(C2)CC[N@@H+](CCC(C)(C)C)C3)CCCC1 ZINC001147987119 1379103161 /nfs/dbraw/zinc/10/31/61/1379103161.db2.gz YGROPUGCNNPGSB-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147987132 1379103213 /nfs/dbraw/zinc/10/32/13/1379103213.db2.gz YTKRBZPSSMJIOP-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001147987132 1379103214 /nfs/dbraw/zinc/10/32/14/1379103214.db2.gz YTKRBZPSSMJIOP-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001147987132 1379103215 /nfs/dbraw/zinc/10/32/15/1379103215.db2.gz YTKRBZPSSMJIOP-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284916 1379145283 /nfs/dbraw/zinc/14/52/83/1379145283.db2.gz JKHREKLJLCSHQB-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148391976 1379163622 /nfs/dbraw/zinc/16/36/22/1379163622.db2.gz ZIYSVASKOTUJQQ-PXPVJAHISA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CCC1CCCCCC1)C2 ZINC001148843887 1379281855 /nfs/dbraw/zinc/28/18/55/1379281855.db2.gz JBBJEFUWSNLYRZ-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CCC1CCCCCC1)C2 ZINC001148843887 1379281860 /nfs/dbraw/zinc/28/18/60/1379281860.db2.gz JBBJEFUWSNLYRZ-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CCC1CCCCCC1)C2 ZINC001148843887 1379281864 /nfs/dbraw/zinc/28/18/64/1379281864.db2.gz JBBJEFUWSNLYRZ-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CC(C)(C)[N@@H+](Cc2ccccc2)CC1(C)C)[NH+](C)C ZINC001149080298 1379324297 /nfs/dbraw/zinc/32/42/97/1379324297.db2.gz ZPHFSLMUHYTEMI-SFHVURJKSA-N 2 1 345.531 3.228 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C)cc2C)C[C@@H]1C ZINC001284025344 1379373170 /nfs/dbraw/zinc/37/31/70/1379373170.db2.gz IVSDLVGIGLIZAS-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001152529530 1379945479 /nfs/dbraw/zinc/94/54/79/1379945479.db2.gz QSHARPXRYSBUGF-FXAWDEMLSA-N 2 1 339.483 3.065 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001152529533 1379945848 /nfs/dbraw/zinc/94/58/48/1379945848.db2.gz QSHARPXRYSBUGF-YLJYHZDGSA-N 2 1 339.483 3.065 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153312285 1380053149 /nfs/dbraw/zinc/05/31/49/1380053149.db2.gz CWJXEBHUSCXFOB-QZTJIDSGSA-N 2 1 325.541 3.266 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153312285 1380053152 /nfs/dbraw/zinc/05/31/52/1380053152.db2.gz CWJXEBHUSCXFOB-QZTJIDSGSA-N 2 1 325.541 3.266 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153312285 1380053158 /nfs/dbraw/zinc/05/31/58/1380053158.db2.gz CWJXEBHUSCXFOB-QZTJIDSGSA-N 2 1 325.541 3.266 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313904 1380054301 /nfs/dbraw/zinc/05/43/01/1380054301.db2.gz ZAQYBKVKSUDKMM-QUCCMNQESA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153313904 1380054304 /nfs/dbraw/zinc/05/43/04/1380054304.db2.gz ZAQYBKVKSUDKMM-QUCCMNQESA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153313904 1380054309 /nfs/dbraw/zinc/05/43/09/1380054309.db2.gz ZAQYBKVKSUDKMM-QUCCMNQESA-N 2 1 345.531 3.194 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC=C(C)C ZINC001153431929 1380075510 /nfs/dbraw/zinc/07/55/10/1380075510.db2.gz CXAYFTHXNPCMLY-DLBZAZTESA-N 2 1 334.508 3.189 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C ZINC001153431929 1380075515 /nfs/dbraw/zinc/07/55/15/1380075515.db2.gz CXAYFTHXNPCMLY-DLBZAZTESA-N 2 1 334.508 3.189 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(F)cc1 ZINC001153727531 1380119406 /nfs/dbraw/zinc/11/94/06/1380119406.db2.gz CILCZPXHHSQUEE-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(F)cc1 ZINC001153727531 1380119408 /nfs/dbraw/zinc/11/94/08/1380119408.db2.gz CILCZPXHHSQUEE-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(F)cc1 ZINC001153727531 1380119410 /nfs/dbraw/zinc/11/94/10/1380119410.db2.gz CILCZPXHHSQUEE-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001153814752 1380135358 /nfs/dbraw/zinc/13/53/58/1380135358.db2.gz WQRLCUBTNOBNII-MOPGFXCFSA-N 2 1 339.568 3.371 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001153814752 1380135359 /nfs/dbraw/zinc/13/53/59/1380135359.db2.gz WQRLCUBTNOBNII-MOPGFXCFSA-N 2 1 339.568 3.371 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001153814752 1380135362 /nfs/dbraw/zinc/13/53/62/1380135362.db2.gz WQRLCUBTNOBNII-MOPGFXCFSA-N 2 1 339.568 3.371 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2nccn21 ZINC001153818824 1380136174 /nfs/dbraw/zinc/13/61/74/1380136174.db2.gz BTTAMABHGVWVFI-HNGSOEQISA-N 2 1 346.519 3.334 20 0 EGADMP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153818824 1380136175 /nfs/dbraw/zinc/13/61/75/1380136175.db2.gz BTTAMABHGVWVFI-HNGSOEQISA-N 2 1 346.519 3.334 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153818824 1380136176 /nfs/dbraw/zinc/13/61/76/1380136176.db2.gz BTTAMABHGVWVFI-HNGSOEQISA-N 2 1 346.519 3.334 20 0 EGADMP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153819346 1380136982 /nfs/dbraw/zinc/13/69/82/1380136982.db2.gz XGWYSABGYIJWAS-SJLPKXTDSA-N 2 1 344.503 3.088 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153819346 1380136984 /nfs/dbraw/zinc/13/69/84/1380136984.db2.gz XGWYSABGYIJWAS-SJLPKXTDSA-N 2 1 344.503 3.088 20 0 EGADMP CC[N@@H+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153824397 1380137332 /nfs/dbraw/zinc/13/73/32/1380137332.db2.gz SLYYOSHSCQKTEX-GOSISDBHSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153880084 1380149179 /nfs/dbraw/zinc/14/91/79/1380149179.db2.gz WZFJETIEIWARNH-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153880084 1380149180 /nfs/dbraw/zinc/14/91/80/1380149180.db2.gz WZFJETIEIWARNH-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153880084 1380149181 /nfs/dbraw/zinc/14/91/81/1380149181.db2.gz WZFJETIEIWARNH-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCc1ccccc1C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930057 1380157100 /nfs/dbraw/zinc/15/71/00/1380157100.db2.gz FEGXSIGFZFHTMO-XLIONFOSSA-N 2 1 347.547 3.162 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990388 1380171536 /nfs/dbraw/zinc/17/15/36/1380171536.db2.gz CGHYJRQMALISHD-GOSISDBHSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C\c1ccccc1 ZINC001154070275 1380198254 /nfs/dbraw/zinc/19/82/54/1380198254.db2.gz WYUJRCOUOKSICU-WTQUMQLASA-N 2 1 345.531 3.257 20 0 EGADMP CC[NH+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154070275 1380198259 /nfs/dbraw/zinc/19/82/59/1380198259.db2.gz WYUJRCOUOKSICU-WTQUMQLASA-N 2 1 345.531 3.257 20 0 EGADMP CC[NH+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154070275 1380198262 /nfs/dbraw/zinc/19/82/62/1380198262.db2.gz WYUJRCOUOKSICU-WTQUMQLASA-N 2 1 345.531 3.257 20 0 EGADMP CC[C@H](F)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099522 1380207767 /nfs/dbraw/zinc/20/77/67/1380207767.db2.gz LDHHPMUVYLPWOU-CVEARBPZSA-N 2 1 343.531 3.214 20 0 EGADMP CC[C@H](F)C[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001154099522 1380207768 /nfs/dbraw/zinc/20/77/68/1380207768.db2.gz LDHHPMUVYLPWOU-CVEARBPZSA-N 2 1 343.531 3.214 20 0 EGADMP CC[C@H](F)C[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001154099522 1380207773 /nfs/dbraw/zinc/20/77/73/1380207773.db2.gz LDHHPMUVYLPWOU-CVEARBPZSA-N 2 1 343.531 3.214 20 0 EGADMP CC[N@@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167462 1380219833 /nfs/dbraw/zinc/21/98/33/1380219833.db2.gz HRLQRMLBXACHNG-QGZVFWFLSA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178462 1380222186 /nfs/dbraw/zinc/22/21/86/1380222186.db2.gz JSQYVZOGTOFPSV-IAGOWNOFSA-N 2 1 344.503 3.457 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455173 1380281198 /nfs/dbraw/zinc/28/11/98/1380281198.db2.gz IQVHTRWIENMMRV-APWZRJJASA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](CC1CC(C)C1)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154464792 1380283062 /nfs/dbraw/zinc/28/30/62/1380283062.db2.gz YGTPFPXXCJBDRO-LXPRWKDFSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154850606 1380364818 /nfs/dbraw/zinc/36/48/18/1380364818.db2.gz FJVCYBBBGUXWIC-NSHGMRRFSA-N 2 1 345.531 3.052 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001154850606 1380364819 /nfs/dbraw/zinc/36/48/19/1380364819.db2.gz FJVCYBBBGUXWIC-NSHGMRRFSA-N 2 1 345.531 3.052 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001154850606 1380364820 /nfs/dbraw/zinc/36/48/20/1380364820.db2.gz FJVCYBBBGUXWIC-NSHGMRRFSA-N 2 1 345.531 3.052 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888866 1380373490 /nfs/dbraw/zinc/37/34/90/1380373490.db2.gz XWNPMFUBYIBKKQ-OAHLLOKOSA-N 2 1 349.519 3.218 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](Nc2[nH+]cnc3c2ccn3Cc2ccc(F)cc2)C1 ZINC001154986384 1380385299 /nfs/dbraw/zinc/38/52/99/1380385299.db2.gz SDSJYAIHTJAQQK-CVEARBPZSA-N 2 1 339.418 3.301 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001155180710 1380420283 /nfs/dbraw/zinc/42/02/83/1380420283.db2.gz MPGSROAGKPVCCM-YXZPIEPFSA-N 2 1 325.541 3.290 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155227168 1380426638 /nfs/dbraw/zinc/42/66/38/1380426638.db2.gz XAJJXUNQJXVYIH-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCCC(C)(C)C)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155227168 1380426639 /nfs/dbraw/zinc/42/66/39/1380426639.db2.gz XAJJXUNQJXVYIH-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCCC(C)(C)C)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155227168 1380426640 /nfs/dbraw/zinc/42/66/40/1380426640.db2.gz XAJJXUNQJXVYIH-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155283170 1380433419 /nfs/dbraw/zinc/43/34/19/1380433419.db2.gz LKBSOXWZBFWBBA-GOSISDBHSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001155283170 1380433420 /nfs/dbraw/zinc/43/34/20/1380433420.db2.gz LKBSOXWZBFWBBA-GOSISDBHSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001155283170 1380433421 /nfs/dbraw/zinc/43/34/21/1380433421.db2.gz LKBSOXWZBFWBBA-GOSISDBHSA-N 2 1 345.531 3.054 20 0 EGADMP C[C@H]([NH3+])c1ccc2c(ccn2-c2nc(Cl)nc3c2C[N@@H+](C)CC3)c1 ZINC001155346678 1380440425 /nfs/dbraw/zinc/44/04/25/1380440425.db2.gz LNLCLFFMMCOQEJ-NSHDSACASA-N 2 1 341.846 3.082 20 0 EGADMP c1cc2c3c([nH]c2c(NC[C@@H]2CCC4(CC[NH2+]CC4)CO2)[nH+]1)CCC3 ZINC001155388983 1380444849 /nfs/dbraw/zinc/44/48/49/1380444849.db2.gz AGVWJLLPECYQOL-AWEZNQCLSA-N 2 1 340.471 3.012 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631281 1380476839 /nfs/dbraw/zinc/47/68/39/1380476839.db2.gz LCNWPEDTLWQZOQ-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001155790985 1380492445 /nfs/dbraw/zinc/49/24/45/1380492445.db2.gz QEBDZEBWKRYUOK-LPHOPBHVSA-N 2 1 331.504 3.061 20 0 EGADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C)c1ccc(C(C)(C)C)cc1 ZINC001155811892 1380494428 /nfs/dbraw/zinc/49/44/28/1380494428.db2.gz LIAZCVYRYCMJLQ-LPHOPBHVSA-N 2 1 345.531 3.235 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)CCCn1ccnc1C ZINC001155830297 1380496253 /nfs/dbraw/zinc/49/62/53/1380496253.db2.gz WOGIHNJDOAKMFC-MRXNPFEDSA-N 2 1 336.524 3.235 20 0 EGADMP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155830297 1380496254 /nfs/dbraw/zinc/49/62/54/1380496254.db2.gz WOGIHNJDOAKMFC-MRXNPFEDSA-N 2 1 336.524 3.235 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155830297 1380496255 /nfs/dbraw/zinc/49/62/55/1380496255.db2.gz WOGIHNJDOAKMFC-MRXNPFEDSA-N 2 1 336.524 3.235 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCCCF)C(C)C ZINC001155883969 1380502330 /nfs/dbraw/zinc/50/23/30/1380502330.db2.gz UJUVDFZGPQGVLZ-QZTJIDSGSA-N 2 1 345.547 3.319 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1)C(C)C ZINC001155883762 1380502483 /nfs/dbraw/zinc/50/24/83/1380502483.db2.gz GATSYNAOKPVSDZ-UYAOXDASSA-N 2 1 347.547 3.380 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCC1)C(C)C ZINC001155884064 1380502544 /nfs/dbraw/zinc/50/25/44/1380502544.db2.gz ZPIDIRJTKRPQAX-MJGOQNOKSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155994187 1380511759 /nfs/dbraw/zinc/51/17/59/1380511759.db2.gz JTUKYNIENHGRMX-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155994206 1380511763 /nfs/dbraw/zinc/51/17/63/1380511763.db2.gz KJDIQDNGAHAJMC-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](C)Cc1cccc(CNc2cc[nH+]c(N3CCCCC3)n2)c1 ZINC001156048344 1380517827 /nfs/dbraw/zinc/51/78/27/1380517827.db2.gz QGIQYPQWRIQUNR-UHFFFAOYSA-N 2 1 325.460 3.141 20 0 EGADMP CC(C)N(CCC[NH3+])c1[nH+]cnc2c1ccn2Cc1ccc(F)cc1 ZINC001156117779 1380527218 /nfs/dbraw/zinc/52/72/18/1380527218.db2.gz ASQCKINNAZQOEA-UHFFFAOYSA-N 2 1 341.434 3.182 20 0 EGADMP CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001156341582 1380561523 /nfs/dbraw/zinc/56/15/23/1380561523.db2.gz JTODCYGRTATQNH-DYESRHJHSA-N 2 1 345.531 3.090 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428573 1380575056 /nfs/dbraw/zinc/57/50/56/1380575056.db2.gz SRGATTCATPBJAW-DOOKAGJSSA-N 2 1 346.519 3.334 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1cc2ccccc2o1 ZINC001156525762 1380588117 /nfs/dbraw/zinc/58/81/17/1380588117.db2.gz YLAFRULOYWTAJL-MRXNPFEDSA-N 2 1 345.487 3.101 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc2ccccc2o1 ZINC001156525762 1380588118 /nfs/dbraw/zinc/58/81/18/1380588118.db2.gz YLAFRULOYWTAJL-MRXNPFEDSA-N 2 1 345.487 3.101 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc2ccccc2o1 ZINC001156525762 1380588119 /nfs/dbraw/zinc/58/81/19/1380588119.db2.gz YLAFRULOYWTAJL-MRXNPFEDSA-N 2 1 345.487 3.101 20 0 EGADMP CC1(C)C[N@@H+](CC2CCCC2)CC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001328099418 1388671271 /nfs/dbraw/zinc/67/12/71/1388671271.db2.gz VMYRVVHKPNCYGE-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157091795 1380774435 /nfs/dbraw/zinc/77/44/35/1380774435.db2.gz BZCVHHCHHDSVHF-QGZVFWFLSA-N 2 1 349.494 3.028 20 0 EGADMP C[N@@H+]1CCC[C@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@H]21 ZINC001157269619 1380828694 /nfs/dbraw/zinc/82/86/94/1380828694.db2.gz BNVCLASPSBLMMI-PKOBYXMFSA-N 2 1 336.483 3.365 20 0 EGADMP C[N@H+]1CCC[C@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@H]21 ZINC001157269619 1380828710 /nfs/dbraw/zinc/82/87/10/1380828710.db2.gz BNVCLASPSBLMMI-PKOBYXMFSA-N 2 1 336.483 3.365 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001157950865 1381079707 /nfs/dbraw/zinc/07/97/07/1381079707.db2.gz IGDSMORSZVWRKP-RTBURBONSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157950865 1381079712 /nfs/dbraw/zinc/07/97/12/1381079712.db2.gz IGDSMORSZVWRKP-RTBURBONSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157950865 1381079715 /nfs/dbraw/zinc/07/97/15/1381079715.db2.gz IGDSMORSZVWRKP-RTBURBONSA-N 2 1 337.552 3.362 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001157973910 1381089951 /nfs/dbraw/zinc/08/99/51/1381089951.db2.gz XXCWHZTVWVMRDY-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001158030291 1381108242 /nfs/dbraw/zinc/10/82/42/1381108242.db2.gz UOKLKCLFLHGFCA-QZTJIDSGSA-N 2 1 343.531 3.169 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158098277 1381126787 /nfs/dbraw/zinc/12/67/87/1381126787.db2.gz GUUSRXLQSVSWCH-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001158398557 1381230920 /nfs/dbraw/zinc/23/09/20/1381230920.db2.gz YBQJPDCAQCNUOY-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001158398557 1381230929 /nfs/dbraw/zinc/23/09/29/1381230929.db2.gz YBQJPDCAQCNUOY-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001158398557 1381230933 /nfs/dbraw/zinc/23/09/33/1381230933.db2.gz YBQJPDCAQCNUOY-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001328281959 1388712837 /nfs/dbraw/zinc/71/28/37/1388712837.db2.gz FEIPJQKKVDEHIL-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001328281959 1388712842 /nfs/dbraw/zinc/71/28/42/1388712842.db2.gz FEIPJQKKVDEHIL-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001328281959 1388712844 /nfs/dbraw/zinc/71/28/44/1388712844.db2.gz FEIPJQKKVDEHIL-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001158714319 1381363698 /nfs/dbraw/zinc/36/36/98/1381363698.db2.gz MKUKTYIRWRJIHL-GOSISDBHSA-N 2 1 325.541 3.221 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001158714319 1381363702 /nfs/dbraw/zinc/36/37/02/1381363702.db2.gz MKUKTYIRWRJIHL-GOSISDBHSA-N 2 1 325.541 3.221 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001158714319 1381363707 /nfs/dbraw/zinc/36/37/07/1381363707.db2.gz MKUKTYIRWRJIHL-GOSISDBHSA-N 2 1 325.541 3.221 20 0 EGADMP CC[NH+](CC)c1ccc(Nc2ccc(N3CC[NH2+]CC3)cn2)cc1 ZINC001159121789 1381615557 /nfs/dbraw/zinc/61/55/57/1381615557.db2.gz MANATJFFFBNCTQ-UHFFFAOYSA-N 2 1 325.460 3.081 20 0 EGADMP Cc1[nH]c2ccc(Nc3cccnc3OCC3CC[NH2+]CC3)cc2[nH+]1 ZINC001159295792 1381755890 /nfs/dbraw/zinc/75/58/90/1381755890.db2.gz PZUOTYALASYSOT-UHFFFAOYSA-N 2 1 337.427 3.388 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1C ZINC001159334270 1381768024 /nfs/dbraw/zinc/76/80/24/1381768024.db2.gz BNVOIZGFFBCHKX-HKUYNNGSSA-N 2 1 331.504 3.026 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](CC)c1ccccc1 ZINC001159355551 1381774578 /nfs/dbraw/zinc/77/45/78/1381774578.db2.gz HADVDGXIRHBSLK-RTBURBONSA-N 2 1 331.504 3.108 20 0 EGADMP C[NH+]1CCN(c2ccc(Nc3ccc4c(c3)C[NH2+]C4)cc2Cl)CC1 ZINC001159505125 1381810211 /nfs/dbraw/zinc/81/02/11/1381810211.db2.gz TZWRTXUQFGCRLL-UHFFFAOYSA-N 2 1 342.874 3.439 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1-c1nnc(CN(C)C)o1 ZINC001328433781 1388744778 /nfs/dbraw/zinc/74/47/78/1388744778.db2.gz PFXHKUQMVISVMS-HNNXBMFYSA-N 2 1 344.459 3.051 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1-c1nnc(C[NH+](C)C)o1 ZINC001328433781 1388744782 /nfs/dbraw/zinc/74/47/82/1388744782.db2.gz PFXHKUQMVISVMS-HNNXBMFYSA-N 2 1 344.459 3.051 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1-c1nnc(C[NH+](C)C)o1 ZINC001328433781 1388744785 /nfs/dbraw/zinc/74/47/85/1388744785.db2.gz PFXHKUQMVISVMS-HNNXBMFYSA-N 2 1 344.459 3.051 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CCC2CCCCC2)C1 ZINC001159837213 1381916860 /nfs/dbraw/zinc/91/68/60/1381916860.db2.gz BTUYQEOBJLLUIK-LJQANCHMSA-N 2 1 337.552 3.031 20 0 EGADMP Cc1cc(Nc2ccc(OCC3CC[NH2+]CC3)c(F)c2)c[nH+]c1N ZINC001159882629 1381927259 /nfs/dbraw/zinc/92/72/59/1381927259.db2.gz MFXKMDNVPSXJCW-UHFFFAOYSA-N 2 1 330.407 3.233 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001159909808 1381933930 /nfs/dbraw/zinc/93/39/30/1381933930.db2.gz NOSQYLAWKAYJHK-UXHICEINSA-N 2 1 345.531 3.497 20 0 EGADMP Cc1cc(C)c(C[NH2+]CCCNC(=O)CC[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC001160268050 1382056639 /nfs/dbraw/zinc/05/66/39/1382056639.db2.gz USQLVUWBNFFHAF-LJQANCHMSA-N 2 1 345.531 3.082 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160379630 1382087560 /nfs/dbraw/zinc/08/75/60/1382087560.db2.gz MDYQDEWWVYBYJC-WAYWQWQTSA-N 2 1 347.547 3.356 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001160379630 1382087564 /nfs/dbraw/zinc/08/75/64/1382087564.db2.gz MDYQDEWWVYBYJC-WAYWQWQTSA-N 2 1 347.547 3.356 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001160379630 1382087570 /nfs/dbraw/zinc/08/75/70/1382087570.db2.gz MDYQDEWWVYBYJC-WAYWQWQTSA-N 2 1 347.547 3.356 20 0 EGADMP CC[C@H](C(=O)NCCC1=CC[N@@H+](CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001160478915 1382117618 /nfs/dbraw/zinc/11/76/18/1382117618.db2.gz DSKBJNVMGMRNPE-LJQANCHMSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@H](C(=O)NCCC1=CC[N@@H+](CCC2=CCCCC2)CC1)[NH+](C)C ZINC001160479156 1382118219 /nfs/dbraw/zinc/11/82/19/1382118219.db2.gz QTEQYKJSWKCKPM-HXUWFJFHSA-N 2 1 347.547 3.356 20 0 EGADMP [NH2+]=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cccc2ccccc21 ZINC001160504592 1382125872 /nfs/dbraw/zinc/12/58/72/1382125872.db2.gz OMFHJJSPCUMEID-UHFFFAOYSA-N 2 1 331.423 3.082 20 0 EGADMP COc1cccc2c1c(C[NH3+])cn2-c1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001160765412 1382190078 /nfs/dbraw/zinc/19/00/78/1382190078.db2.gz SWCWYCIRARFFCE-UHFFFAOYSA-N 2 1 336.439 3.087 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-n2c(C[NH3+])cc3ccncc32)nc1 ZINC001160963036 1382253233 /nfs/dbraw/zinc/25/32/33/1382253233.db2.gz RIDCDHGZVWOVGA-GOSISDBHSA-N 2 1 335.455 3.426 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001161205790 1382340221 /nfs/dbraw/zinc/34/02/21/1382340221.db2.gz GYHOZTIUVWXDNN-IEBWSBKVSA-N 2 1 349.563 3.149 20 0 EGADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001161205790 1382340224 /nfs/dbraw/zinc/34/02/24/1382340224.db2.gz GYHOZTIUVWXDNN-IEBWSBKVSA-N 2 1 349.563 3.149 20 0 EGADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001161205790 1382340231 /nfs/dbraw/zinc/34/02/31/1382340231.db2.gz GYHOZTIUVWXDNN-IEBWSBKVSA-N 2 1 349.563 3.149 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001161207010 1382342120 /nfs/dbraw/zinc/34/21/20/1382342120.db2.gz ORJZMOYLTSLYAQ-KRWDZBQOSA-N 2 1 335.536 3.045 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001161207010 1382342123 /nfs/dbraw/zinc/34/21/23/1382342123.db2.gz ORJZMOYLTSLYAQ-KRWDZBQOSA-N 2 1 335.536 3.045 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001161207010 1382342128 /nfs/dbraw/zinc/34/21/28/1382342128.db2.gz ORJZMOYLTSLYAQ-KRWDZBQOSA-N 2 1 335.536 3.045 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001161226865 1382348746 /nfs/dbraw/zinc/34/87/46/1382348746.db2.gz RBWWJAMZHIQXFZ-INIZCTEOSA-N 2 1 345.531 3.063 20 0 EGADMP CC[C@@H](C(=O)NCCC1=CC[N@@H+](CCC2CCCCC2)CC1)[NH+](C)C ZINC001161230641 1382349538 /nfs/dbraw/zinc/34/95/38/1382349538.db2.gz DIUVZLGAWUJLTA-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP Cc1nc(NCC2CC[NH+](Cc3ccccn3)CC2)c(C)c(C)[nH+]1 ZINC001161244829 1382353260 /nfs/dbraw/zinc/35/32/60/1382353260.db2.gz XINZHIDKPZJWHV-UHFFFAOYSA-N 2 1 325.460 3.121 20 0 EGADMP CC(C)C[N@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001161383054 1382390874 /nfs/dbraw/zinc/39/08/74/1382390874.db2.gz GVTFFFMOOOFNEN-UHFFFAOYSA-N 2 1 346.519 3.191 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001161383054 1382390878 /nfs/dbraw/zinc/39/08/78/1382390878.db2.gz GVTFFFMOOOFNEN-UHFFFAOYSA-N 2 1 346.519 3.191 20 0 EGADMP C[C@H](C(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001161383216 1382392424 /nfs/dbraw/zinc/39/24/24/1382392424.db2.gz MMSJWOBIXCXIBE-GOSISDBHSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCC(CC(=O)NCCC2=CC[N@@H+](CC3CCCC3)CC2)CC1 ZINC001161390830 1382396275 /nfs/dbraw/zinc/39/62/75/1382396275.db2.gz KTATYTNHBJZBHS-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444608 1382412892 /nfs/dbraw/zinc/41/28/92/1382412892.db2.gz HZQALMYNXFZJTN-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001161444608 1382412895 /nfs/dbraw/zinc/41/28/95/1382412895.db2.gz HZQALMYNXFZJTN-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001161444608 1382412897 /nfs/dbraw/zinc/41/28/97/1382412897.db2.gz HZQALMYNXFZJTN-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC[NH+](Cc1ccccc1)CC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001328588423 1388783830 /nfs/dbraw/zinc/78/38/30/1388783830.db2.gz VJEMCGKPNFWNNP-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC(C[N@H+](CC)Cc2ccccc2)CC1 ZINC001328588423 1388783834 /nfs/dbraw/zinc/78/38/34/1388783834.db2.gz VJEMCGKPNFWNNP-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC(C[N@@H+](CC)Cc2ccccc2)CC1 ZINC001328588423 1388783841 /nfs/dbraw/zinc/78/38/41/1388783841.db2.gz VJEMCGKPNFWNNP-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP COCCC1(CNc2[nH+]ccc3cc(OC)c(F)cc32)CC[NH2+]CC1 ZINC001161505159 1382425373 /nfs/dbraw/zinc/42/53/73/1382425373.db2.gz PFVPGOMXSQESCZ-UHFFFAOYSA-N 2 1 347.434 3.201 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]CCC1CCCC1 ZINC001161524422 1382430436 /nfs/dbraw/zinc/43/04/36/1382430436.db2.gz IIKUTWGXYMWKMH-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161704856 1382485516 /nfs/dbraw/zinc/48/55/16/1382485516.db2.gz IGYSNWQQOMHWPT-RBUKOAKNSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+](C)CCCCNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001161730775 1382491118 /nfs/dbraw/zinc/49/11/18/1382491118.db2.gz GTDKXCXCIVOSNO-KRWDZBQOSA-N 3 1 329.492 3.105 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161894171 1382543282 /nfs/dbraw/zinc/54/32/82/1382543282.db2.gz ZAGIHBWVXIYTHF-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161953036 1382569584 /nfs/dbraw/zinc/56/95/84/1382569584.db2.gz OYYZWWUMLAWHFP-AZUAARDMSA-N 2 1 349.563 3.291 20 0 EGADMP COc1cc(NCC2(c3cccnc3)CC[NH2+]CC2)[nH+]c2ccccc21 ZINC001162036381 1382609980 /nfs/dbraw/zinc/60/99/80/1382609980.db2.gz IXLKXDBOLGGCIK-UHFFFAOYSA-N 2 1 348.450 3.372 20 0 EGADMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC001162459405 1382762914 /nfs/dbraw/zinc/76/29/14/1382762914.db2.gz DOYTUIBJZXABBU-JKSUJKDBSA-N 2 1 337.471 3.044 20 0 EGADMP c1[nH+]c2cc(N[C@@]34CCC[C@@H]3[NH2+]CC4)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001162985018 1382938116 /nfs/dbraw/zinc/93/81/16/1382938116.db2.gz XFJWOFRDEFZBMS-LSTHTHJFSA-N 3 1 339.487 3.047 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC[NH2+]C[C@@H](C)CC)CCc1ccccc1 ZINC001162987682 1382939118 /nfs/dbraw/zinc/93/91/18/1382939118.db2.gz UDUFOAFPTQXGQC-IBGZPJMESA-N 2 1 347.547 3.035 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](Nc2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@H](C)C1 ZINC001163371656 1383035658 /nfs/dbraw/zinc/03/56/58/1383035658.db2.gz RWRWPKSRQTUPOB-VQIMIIECSA-N 3 1 346.519 3.085 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](Nc2cc(OC3CC[NH+](C)CC3)ccn2)[C@H](C)C1 ZINC001163371656 1383035661 /nfs/dbraw/zinc/03/56/61/1383035661.db2.gz RWRWPKSRQTUPOB-VQIMIIECSA-N 2 1 346.519 3.085 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](Nc2cc(OC3CC[NH+](C)CC3)ccn2)[C@H](C)C1 ZINC001163371656 1383035664 /nfs/dbraw/zinc/03/56/64/1383035664.db2.gz RWRWPKSRQTUPOB-VQIMIIECSA-N 2 1 346.519 3.085 20 0 EGADMP CC(C)(Cc1ccc(F)cc1)Nc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001163850797 1383129187 /nfs/dbraw/zinc/12/91/87/1383129187.db2.gz GOFIHYOAGCJOQL-UHFFFAOYSA-N 2 1 328.435 3.064 20 0 EGADMP C[NH+](C)C1(CNc2ccc3c(c2)NCCC3(C)C)CC[NH+](C)CC1 ZINC001164216805 1383166962 /nfs/dbraw/zinc/16/69/62/1383166962.db2.gz LKQHTAGNRMDEOH-UHFFFAOYSA-N 2 1 330.520 3.218 20 0 EGADMP COCc1ccc2ccccc2c1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164217552 1383167420 /nfs/dbraw/zinc/16/74/20/1383167420.db2.gz WYQFQADATHYULZ-UHFFFAOYSA-N 2 1 341.499 3.424 20 0 EGADMP Nc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[nH+]cc1F ZINC001164486146 1383192035 /nfs/dbraw/zinc/19/20/35/1383192035.db2.gz LCWCRLAYSDDSSF-RVKKMQEKSA-N 2 1 326.419 3.125 20 0 EGADMP CC(C)(C)CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164491540 1383192589 /nfs/dbraw/zinc/19/25/89/1383192589.db2.gz JVFBPEQKZWESQK-SFHVURJKSA-N 2 1 337.552 3.316 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531312 1383196575 /nfs/dbraw/zinc/19/65/75/1383196575.db2.gz CVQWYVZYDHQIFX-MOPGFXCFSA-N 2 1 349.563 3.173 20 0 EGADMP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001164578532 1383201336 /nfs/dbraw/zinc/20/13/36/1383201336.db2.gz FNJJOSRCOYBQMB-YZPMEYCISA-N 2 1 349.563 3.339 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001164582353 1383201947 /nfs/dbraw/zinc/20/19/47/1383201947.db2.gz JDIDBULVWSQINQ-ZWKOTPCHSA-N 2 1 337.552 3.029 20 0 EGADMP [NH3+]C1([C@@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)C[C@H]2CF)CC1 ZINC001165434226 1383296167 /nfs/dbraw/zinc/29/61/67/1383296167.db2.gz PWSSQPMXWKDOFB-CZUORRHYSA-N 2 1 343.450 3.060 20 0 EGADMP CC(C)(C)N(c1ccc2c([nH+]1)CCCC2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165671050 1383323193 /nfs/dbraw/zinc/32/31/93/1383323193.db2.gz XTRRFTFRALQWJG-QGZVFWFLSA-N 2 1 343.515 3.476 20 0 EGADMP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165728372 1383334475 /nfs/dbraw/zinc/33/44/75/1383334475.db2.gz QJJGJALIYQUEHA-QZTJIDSGSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001165810189 1383349597 /nfs/dbraw/zinc/34/95/97/1383349597.db2.gz YYJPMTYVACYYPX-UHFFFAOYSA-N 2 1 349.563 3.173 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001166202032 1383401081 /nfs/dbraw/zinc/40/10/81/1383401081.db2.gz DREMAHJWXSDOPA-UHFFFAOYSA-N 2 1 346.519 3.038 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)C[N@H+]2CCC[C@H]2C)cc1 ZINC001166626998 1383449892 /nfs/dbraw/zinc/44/98/92/1383449892.db2.gz NWSOIQYSJHZOCN-MSOLQXFVSA-N 2 1 345.531 3.451 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccccc1CC ZINC001328785822 1388862923 /nfs/dbraw/zinc/86/29/23/1388862923.db2.gz KNMHBTBWEBWQIQ-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1CC ZINC001328785822 1388862926 /nfs/dbraw/zinc/86/29/26/1388862926.db2.gz KNMHBTBWEBWQIQ-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1CC ZINC001328785822 1388862930 /nfs/dbraw/zinc/86/29/30/1388862930.db2.gz KNMHBTBWEBWQIQ-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001167459199 1383638373 /nfs/dbraw/zinc/63/83/73/1383638373.db2.gz WBIIXBWENIEACN-UHFFFAOYSA-N 2 1 346.519 3.038 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CC[C@H](C)F)CC1 ZINC001167470768 1383642693 /nfs/dbraw/zinc/64/26/93/1383642693.db2.gz AOZYPGCWOIRKOK-KRWDZBQOSA-N 2 1 343.531 3.123 20 0 EGADMP Cc1ccc(C[NH2+]CCCNC(=O)CCn2cc[nH+]c2C(C)C)cc1 ZINC001167588316 1383682014 /nfs/dbraw/zinc/68/20/14/1383682014.db2.gz KOFGGTPWNJIANM-UHFFFAOYSA-N 2 1 342.487 3.001 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001167627454 1383692513 /nfs/dbraw/zinc/69/25/13/1383692513.db2.gz OCLOLTQPTHGVHP-FQEVSTJZSA-N 2 1 345.531 3.162 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001167627448 1383692848 /nfs/dbraw/zinc/69/28/48/1383692848.db2.gz OAMGHRWMPUNHKZ-ICSRJNTNSA-N 2 1 345.531 3.415 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001167814699 1383746960 /nfs/dbraw/zinc/74/69/60/1383746960.db2.gz BRRNHGWDQWCQMS-UHFFFAOYSA-N 2 1 345.531 3.021 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001167814839 1383747394 /nfs/dbraw/zinc/74/73/94/1383747394.db2.gz GYGWGTPJRDOKRQ-UHFFFAOYSA-N 2 1 337.552 3.175 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001167833336 1383753547 /nfs/dbraw/zinc/75/35/47/1383753547.db2.gz AMAXMNLFSLYHQS-QYZOEREBSA-N 2 1 327.532 3.395 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001167833336 1383753552 /nfs/dbraw/zinc/75/35/52/1383753552.db2.gz AMAXMNLFSLYHQS-QYZOEREBSA-N 2 1 327.532 3.395 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)N(c1cccc(C)[nH+]1)C1CC[NH2+]CC1 ZINC001167835676 1383754438 /nfs/dbraw/zinc/75/44/38/1383754438.db2.gz SJVNBJWEVBBELT-GOSISDBHSA-N 3 1 332.536 3.459 20 0 EGADMP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1OC ZINC001167958981 1383779058 /nfs/dbraw/zinc/77/90/58/1383779058.db2.gz LRDBVUFKYPQOHN-AYHJJNSGSA-N 2 1 330.472 3.199 20 0 EGADMP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1OC ZINC001167958981 1383779060 /nfs/dbraw/zinc/77/90/60/1383779060.db2.gz LRDBVUFKYPQOHN-AYHJJNSGSA-N 2 1 330.472 3.199 20 0 EGADMP O[C@@]1(C(F)(F)F)CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167982878 1383786973 /nfs/dbraw/zinc/78/69/73/1383786973.db2.gz DEDSRNYTYLHCLK-WFVVYAPDSA-N 2 1 346.437 3.171 20 0 EGADMP O[C@@]1(C(F)(F)F)CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167982878 1383786976 /nfs/dbraw/zinc/78/69/76/1383786976.db2.gz DEDSRNYTYLHCLK-WFVVYAPDSA-N 2 1 346.437 3.171 20 0 EGADMP O[C@@]1(C(F)(F)F)CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167982878 1383786980 /nfs/dbraw/zinc/78/69/80/1383786980.db2.gz DEDSRNYTYLHCLK-WFVVYAPDSA-N 2 1 346.437 3.171 20 0 EGADMP c1ccc(N(C2CC[NH2+]CC2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)nc1 ZINC001168002983 1383793396 /nfs/dbraw/zinc/79/33/96/1383793396.db2.gz GQVYUTQNEYRBQK-YOFSQIOKSA-N 2 1 340.515 3.045 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3CCCN(C)[C@@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056638 1383805276 /nfs/dbraw/zinc/80/52/76/1383805276.db2.gz HEVYBKKAMWHBGH-XRYRHKQGSA-N 2 1 341.543 3.454 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056638 1383805279 /nfs/dbraw/zinc/80/52/79/1383805279.db2.gz HEVYBKKAMWHBGH-XRYRHKQGSA-N 2 1 341.543 3.454 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056638 1383805283 /nfs/dbraw/zinc/80/52/83/1383805283.db2.gz HEVYBKKAMWHBGH-XRYRHKQGSA-N 2 1 341.543 3.454 20 0 EGADMP CC[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC([NH+](C)C)CC1 ZINC001168327873 1383874004 /nfs/dbraw/zinc/87/40/04/1383874004.db2.gz RSJPHNIOICPTAX-OFLPRAFFSA-N 2 1 339.524 3.191 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001168335254 1383876177 /nfs/dbraw/zinc/87/61/77/1383876177.db2.gz DUDYPBZSLBVYRV-QWNKOJSDSA-N 2 1 335.536 3.093 20 0 EGADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168413829 1383900115 /nfs/dbraw/zinc/90/01/15/1383900115.db2.gz BGGANBDZYNKUDF-GOSISDBHSA-N 3 1 335.511 3.158 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001168594843 1383944254 /nfs/dbraw/zinc/94/42/54/1383944254.db2.gz BMGUFMQCKZRATJ-UHFFFAOYSA-N 2 1 347.547 3.411 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C2 ZINC001169081266 1384104254 /nfs/dbraw/zinc/10/42/54/1384104254.db2.gz PMZLEKCRXAWYCV-OVYGPGRDSA-N 2 1 337.508 3.037 20 0 EGADMP COc1ccc2c(c1)c(C[C@@H](C)[NH3+])cn2[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091735 1384105335 /nfs/dbraw/zinc/10/53/35/1384105335.db2.gz USUMMJDDLPIJPJ-MXASKKJJSA-N 2 1 327.472 3.337 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH3+])(Cc3cccc(Cl)c3)CC1)C2 ZINC001169119105 1384109695 /nfs/dbraw/zinc/10/96/95/1384109695.db2.gz QTYDJIDUNHEWHF-BWTSREIZSA-N 2 1 347.934 3.301 20 0 EGADMP C[N@@H+](CCc1cccc(C(F)(F)F)n1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124521 1384110548 /nfs/dbraw/zinc/11/05/48/1384110548.db2.gz DMDSTPXAVRFDRS-FICVDOATSA-N 2 1 327.394 3.200 20 0 EGADMP C[NH+](CCc1cccc(C(F)(F)F)n1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124521 1384110549 /nfs/dbraw/zinc/11/05/49/1384110549.db2.gz DMDSTPXAVRFDRS-FICVDOATSA-N 2 1 327.394 3.200 20 0 EGADMP C[NH+](CCc1cccc(C(F)(F)F)n1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124521 1384110550 /nfs/dbraw/zinc/11/05/50/1384110550.db2.gz DMDSTPXAVRFDRS-FICVDOATSA-N 2 1 327.394 3.200 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH+]3CCc4ccccc4C3)CC1)C2 ZINC001169143391 1384113303 /nfs/dbraw/zinc/11/33/03/1384113303.db2.gz FLCQJKHAZLTRNF-KOUNCHBCSA-N 2 1 339.527 3.134 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CCC([N@@H+]3CCc4ccccc4C3)CC1)C2 ZINC001169143391 1384113305 /nfs/dbraw/zinc/11/33/05/1384113305.db2.gz FLCQJKHAZLTRNF-KOUNCHBCSA-N 2 1 339.527 3.134 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CCC([N@H+]3CCc4ccccc4C3)CC1)C2 ZINC001169143391 1384113307 /nfs/dbraw/zinc/11/33/07/1384113307.db2.gz FLCQJKHAZLTRNF-KOUNCHBCSA-N 2 1 339.527 3.134 20 0 EGADMP CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144589 1384113846 /nfs/dbraw/zinc/11/38/46/1384113846.db2.gz KDCFGPDVQGVACF-JSXRDJHFSA-N 2 1 327.516 3.208 20 0 EGADMP CCN([C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169144589 1384113853 /nfs/dbraw/zinc/11/38/53/1384113853.db2.gz KDCFGPDVQGVACF-JSXRDJHFSA-N 2 1 327.516 3.208 20 0 EGADMP CCN([C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169144589 1384113855 /nfs/dbraw/zinc/11/38/55/1384113855.db2.gz KDCFGPDVQGVACF-JSXRDJHFSA-N 2 1 327.516 3.208 20 0 EGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148100 1384114782 /nfs/dbraw/zinc/11/47/82/1384114782.db2.gz YSAMTNNOEGSPCT-MXEMCNAFSA-N 2 1 327.516 3.066 20 0 EGADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169148100 1384114783 /nfs/dbraw/zinc/11/47/83/1384114783.db2.gz YSAMTNNOEGSPCT-MXEMCNAFSA-N 2 1 327.516 3.066 20 0 EGADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169148100 1384114784 /nfs/dbraw/zinc/11/47/84/1384114784.db2.gz YSAMTNNOEGSPCT-MXEMCNAFSA-N 2 1 327.516 3.066 20 0 EGADMP COc1cccc(OCC2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001169152683 1384115688 /nfs/dbraw/zinc/11/56/88/1384115688.db2.gz DHASMJLHTOWKRQ-BWTSREIZSA-N 2 1 344.499 3.411 20 0 EGADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169162034 1384117589 /nfs/dbraw/zinc/11/75/89/1384117589.db2.gz RRNDZLUFVLLOAI-YDZRNGNQSA-N 2 1 328.456 3.235 20 0 EGADMP COC(=O)c1cccc([C@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169162034 1384117590 /nfs/dbraw/zinc/11/75/90/1384117590.db2.gz RRNDZLUFVLLOAI-YDZRNGNQSA-N 2 1 328.456 3.235 20 0 EGADMP COC(=O)c1cccc([C@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169162034 1384117591 /nfs/dbraw/zinc/11/75/91/1384117591.db2.gz RRNDZLUFVLLOAI-YDZRNGNQSA-N 2 1 328.456 3.235 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](C(=O)OCc3ccccc3)C1)C2 ZINC001169160917 1384117775 /nfs/dbraw/zinc/11/77/75/1384117775.db2.gz MSAJJHCQJXCFHP-HAGHYFMRSA-N 2 1 342.483 3.067 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H](C(=O)OCc3ccccc3)C1)C2 ZINC001169160917 1384117779 /nfs/dbraw/zinc/11/77/79/1384117779.db2.gz MSAJJHCQJXCFHP-HAGHYFMRSA-N 2 1 342.483 3.067 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H](C(=O)OCc3ccccc3)C1)C2 ZINC001169160917 1384117785 /nfs/dbraw/zinc/11/77/85/1384117785.db2.gz MSAJJHCQJXCFHP-HAGHYFMRSA-N 2 1 342.483 3.067 20 0 EGADMP CC[N@@H+](Cc1ccccc1)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC001169258200 1384128431 /nfs/dbraw/zinc/12/84/31/1384128431.db2.gz FZRCJQAYLPUYBJ-UHFFFAOYSA-N 2 1 329.532 3.457 20 0 EGADMP CC[NH+]1CCC(N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001169262151 1384129046 /nfs/dbraw/zinc/12/90/46/1384129046.db2.gz UBULEUNIHSXGAC-UHFFFAOYSA-N 2 1 333.495 3.206 20 0 EGADMP C[C@@H](c1nccc2ccccc21)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001308628823 1384137554 /nfs/dbraw/zinc/13/75/54/1384137554.db2.gz WCULYJLPQPYDLW-PKOBYXMFSA-N 2 1 338.499 3.008 20 0 EGADMP C[C@@H](c1nccc2ccccc21)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001308628823 1384137558 /nfs/dbraw/zinc/13/75/58/1384137558.db2.gz WCULYJLPQPYDLW-PKOBYXMFSA-N 2 1 338.499 3.008 20 0 EGADMP CCOC(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])CC1 ZINC001169664515 1384170370 /nfs/dbraw/zinc/17/03/70/1384170370.db2.gz OAHYHCIQEBMFPK-MJGOQNOKSA-N 2 1 347.503 3.094 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169729710 1384179682 /nfs/dbraw/zinc/17/96/82/1384179682.db2.gz UYRFALPFLFMYTN-ICSRJNTNSA-N 2 1 343.515 3.145 20 0 EGADMP CCc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001169798646 1384186988 /nfs/dbraw/zinc/18/69/88/1384186988.db2.gz PIZLMXLHTJRREN-XLIONFOSSA-N 2 1 345.531 3.108 20 0 EGADMP C[C@H]1CC[C@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)C1 ZINC001170145896 1384249128 /nfs/dbraw/zinc/24/91/28/1384249128.db2.gz WUZRDQUUGFMOMR-ICSRJNTNSA-N 2 1 343.515 3.185 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC001311434886 1384282922 /nfs/dbraw/zinc/28/29/22/1384282922.db2.gz UOGHIZUHXHHHSI-KRWDZBQOSA-N 2 1 340.556 3.061 20 0 EGADMP CC[C@@H]1CC([NH2+]C2(C[NH3+])CC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170478605 1384327575 /nfs/dbraw/zinc/32/75/75/1384327575.db2.gz NPJBWGHYIDUWQL-HUUCEWRRSA-N 2 1 325.497 3.024 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1F ZINC001170784819 1384384318 /nfs/dbraw/zinc/38/43/18/1384384318.db2.gz LKJJBBAIHMERME-LJQANCHMSA-N 2 1 349.494 3.076 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001170863216 1384400762 /nfs/dbraw/zinc/40/07/62/1384400762.db2.gz TZVDXXNLAGFMOK-QWFCFKBJSA-N 2 1 345.531 3.100 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861908 1384400823 /nfs/dbraw/zinc/40/08/23/1384400823.db2.gz IASZSKFKSCKRJI-YQVWRLOYSA-N 2 1 349.563 3.172 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861315 1384401011 /nfs/dbraw/zinc/40/10/11/1384401011.db2.gz CEWLSRJWMJUPSW-JFIYKMOQSA-N 2 1 325.541 3.027 20 0 EGADMP CCC(CC)C[NH2+]CCCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001170868182 1384401669 /nfs/dbraw/zinc/40/16/69/1384401669.db2.gz QJZMLWYGQFINLM-IBGZPJMESA-N 2 1 333.520 3.212 20 0 EGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170872625 1384402338 /nfs/dbraw/zinc/40/23/38/1384402338.db2.gz YHNVPLJMSKWWDG-FGTMMUONSA-N 2 1 325.541 3.172 20 0 EGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001170878525 1384403443 /nfs/dbraw/zinc/40/34/43/1384403443.db2.gz ONKGPOJYLQSUHI-DLBZAZTESA-N 2 1 336.524 3.461 20 0 EGADMP Fc1cccc2c1C[C@@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC001170961633 1384418872 /nfs/dbraw/zinc/41/88/72/1384418872.db2.gz QTVBYNRVQVRSRA-LLMJNHHCSA-N 2 1 336.454 3.403 20 0 EGADMP Fc1cccc2c1C[C@@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC001170961633 1384418873 /nfs/dbraw/zinc/41/88/73/1384418873.db2.gz QTVBYNRVQVRSRA-LLMJNHHCSA-N 2 1 336.454 3.403 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001171120975 1384449790 /nfs/dbraw/zinc/44/97/90/1384449790.db2.gz QLVKOUKRYPYMHB-UYAOXDASSA-N 2 1 345.531 3.326 20 0 EGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001171248944 1384478887 /nfs/dbraw/zinc/47/88/87/1384478887.db2.gz ZFQPEWPFPJJBJA-QZTJIDSGSA-N 2 1 325.541 3.314 20 0 EGADMP C[C@@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171539976 1384557155 /nfs/dbraw/zinc/55/71/55/1384557155.db2.gz WLYCWHLXVFCYHZ-QFBILLFUSA-N 2 1 349.494 3.075 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CC1CC(F)(F)C1 ZINC001171585961 1384572648 /nfs/dbraw/zinc/57/26/48/1384572648.db2.gz GHIUMIBQTZHWEP-CQSZACIVSA-N 2 1 347.494 3.027 20 0 EGADMP C[C@H](CCCC[NH2+]CCCF)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001171618654 1384581450 /nfs/dbraw/zinc/58/14/50/1384581450.db2.gz LUJWPKPYDLZPOT-MRXNPFEDSA-N 2 1 343.531 3.264 20 0 EGADMP CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171643858 1384590400 /nfs/dbraw/zinc/59/04/00/1384590400.db2.gz WYXJHFHWHWRLJS-XIRDDKMYSA-N 2 1 336.520 3.301 20 0 EGADMP C[C@H]1C[C@H](N2CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171749181 1384625078 /nfs/dbraw/zinc/62/50/78/1384625078.db2.gz IRSOBHWLVPPGOU-REWPJTCUSA-N 2 1 349.522 3.467 20 0 EGADMP C[C@H]1C[C@H](N2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171749181 1384625080 /nfs/dbraw/zinc/62/50/80/1384625080.db2.gz IRSOBHWLVPPGOU-REWPJTCUSA-N 2 1 349.522 3.467 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171825483 1384652383 /nfs/dbraw/zinc/65/23/83/1384652383.db2.gz DDNGAFUVWLHCDI-SJORKVTESA-N 2 1 348.535 3.073 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171870787 1384666703 /nfs/dbraw/zinc/66/67/03/1384666703.db2.gz UWZOLNIAPVTVTC-AZUAARDMSA-N 2 1 343.515 3.003 20 0 EGADMP CC1(C)C[C@@H]([NH2+]C[C@H](O)c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC001171963362 1384696900 /nfs/dbraw/zinc/69/69/00/1384696900.db2.gz HQSJWBVHGKKOAK-ROUUACIJSA-N 2 1 328.456 3.346 20 0 EGADMP CC1(C)C[C@@H]([NH2+]C[C@H](O)c2ccco2)CC[N@H+]1Cc1ccccc1 ZINC001171963362 1384696907 /nfs/dbraw/zinc/69/69/07/1384696907.db2.gz HQSJWBVHGKKOAK-ROUUACIJSA-N 2 1 328.456 3.346 20 0 EGADMP CC1(C)C[C@@H](NCC(=O)NC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171965817 1384697046 /nfs/dbraw/zinc/69/70/46/1384697046.db2.gz JOUKOTXCWVMXLJ-IBGZPJMESA-N 2 1 343.515 3.078 20 0 EGADMP CC1(C)C[C@@H]([NH2+]CC(=O)NC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171965817 1384697052 /nfs/dbraw/zinc/69/70/52/1384697052.db2.gz JOUKOTXCWVMXLJ-IBGZPJMESA-N 2 1 343.515 3.078 20 0 EGADMP CC1(C)C[C@@H]([NH2+]CC(=O)NC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171965817 1384697055 /nfs/dbraw/zinc/69/70/55/1384697055.db2.gz JOUKOTXCWVMXLJ-IBGZPJMESA-N 2 1 343.515 3.078 20 0 EGADMP CC1(C)C[C@H]([NH2+]C2(CO)CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC001171974642 1384700761 /nfs/dbraw/zinc/70/07/61/1384700761.db2.gz IOYNWPLTRNSGMK-GOSISDBHSA-N 2 1 348.556 3.277 20 0 EGADMP Cc1[nH+]cc2n1CCN([C@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171980324 1384702083 /nfs/dbraw/zinc/70/20/83/1384702083.db2.gz IJCPHFJHLVQDHB-IBGZPJMESA-N 2 1 338.499 3.450 20 0 EGADMP Cc1[nH+]cc2n1CCN([C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171980324 1384702084 /nfs/dbraw/zinc/70/20/84/1384702084.db2.gz IJCPHFJHLVQDHB-IBGZPJMESA-N 2 1 338.499 3.450 20 0 EGADMP CN1CCC[C@@H]2C[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]21 ZINC001171985856 1384704226 /nfs/dbraw/zinc/70/42/26/1384704226.db2.gz CKRABAWVDXKMTQ-HKBOAZHASA-N 2 1 341.543 3.456 20 0 EGADMP CN1CCC[C@@H]2C[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@@H]21 ZINC001171985856 1384704230 /nfs/dbraw/zinc/70/42/30/1384704230.db2.gz CKRABAWVDXKMTQ-HKBOAZHASA-N 2 1 341.543 3.456 20 0 EGADMP CN1CCC[C@@H]2C[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@@H]21 ZINC001171985856 1384704232 /nfs/dbraw/zinc/70/42/32/1384704232.db2.gz CKRABAWVDXKMTQ-HKBOAZHASA-N 2 1 341.543 3.456 20 0 EGADMP C[NH+](C)[C@@H]1CCCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985530 1384704286 /nfs/dbraw/zinc/70/42/86/1384704286.db2.gz XRMDDHDBWIUWIS-WOJBJXKFSA-N 2 1 329.532 3.456 20 0 EGADMP COC(=O)C(C)(C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062893 1384714713 /nfs/dbraw/zinc/71/47/13/1384714713.db2.gz SAQGJMDKQYFRBR-LDLYASANSA-N 2 1 344.499 3.361 20 0 EGADMP Cc1noc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001172062366 1384715408 /nfs/dbraw/zinc/71/54/08/1384715408.db2.gz NHUJHEJFJYTYLP-LDLYASANSA-N 2 1 340.471 3.096 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]CCN2CCCCO2)C3)cc1 ZINC001172066762 1384715818 /nfs/dbraw/zinc/71/58/18/1384715818.db2.gz KDEDSEQYRHVNAI-MZADTFQBSA-N 2 1 343.515 3.189 20 0 EGADMP O[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172067085 1384715961 /nfs/dbraw/zinc/71/59/61/1384715961.db2.gz AJQNJKCTGHXPFB-PLACYPQZSA-N 2 1 328.500 3.419 20 0 EGADMP O[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172067085 1384715966 /nfs/dbraw/zinc/71/59/66/1384715966.db2.gz AJQNJKCTGHXPFB-PLACYPQZSA-N 2 1 328.500 3.419 20 0 EGADMP O[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172067085 1384715969 /nfs/dbraw/zinc/71/59/69/1384715969.db2.gz AJQNJKCTGHXPFB-PLACYPQZSA-N 2 1 328.500 3.419 20 0 EGADMP O[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172067085 1384715972 /nfs/dbraw/zinc/71/59/72/1384715972.db2.gz AJQNJKCTGHXPFB-PLACYPQZSA-N 2 1 328.500 3.419 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC([NH+]4CCCC4)C2)C3)cc1 ZINC001172074830 1384719711 /nfs/dbraw/zinc/71/97/11/1384719711.db2.gz MEBGFVIHFYPMOL-AERCQKQUSA-N 2 1 339.527 3.352 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccc(C(F)(F)F)nc1)C2 ZINC001172100754 1384726864 /nfs/dbraw/zinc/72/68/64/1384726864.db2.gz SFJANNVRCLOUTR-QKDCVEJESA-N 2 1 327.394 3.248 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1)C2 ZINC001172106566 1384728190 /nfs/dbraw/zinc/72/81/90/1384728190.db2.gz QENXXDFVAHHDKW-YVSFHVDLSA-N 2 1 342.405 3.344 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)C)CC1)C2 ZINC001172110406 1384729285 /nfs/dbraw/zinc/72/92/85/1384729285.db2.gz MFMOOXUXDXQXIB-JQALIZKVSA-N 2 1 335.536 3.065 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)C)CC1)C2 ZINC001172110406 1384729286 /nfs/dbraw/zinc/72/92/86/1384729286.db2.gz MFMOOXUXDXQXIB-JQALIZKVSA-N 2 1 335.536 3.065 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C2 ZINC001172111295 1384730285 /nfs/dbraw/zinc/73/02/85/1384730285.db2.gz RMUAEYREVJFQMS-QUSNUVHPSA-N 2 1 337.508 3.037 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C2 ZINC001172111295 1384730287 /nfs/dbraw/zinc/73/02/87/1384730287.db2.gz RMUAEYREVJFQMS-QUSNUVHPSA-N 2 1 337.508 3.037 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(C(=O)C3CCCCC3)CC1)C2 ZINC001172113280 1384731486 /nfs/dbraw/zinc/73/14/86/1384731486.db2.gz GBLIURXCMOJKBS-OWZKRDHZSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(C(=O)C3CCCCC3)CC1)C2 ZINC001172113280 1384731488 /nfs/dbraw/zinc/73/14/88/1384731488.db2.gz GBLIURXCMOJKBS-OWZKRDHZSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3CN(Cc4cccs4)C[C@H]3C1)C2 ZINC001172116027 1384731677 /nfs/dbraw/zinc/73/16/77/1384731677.db2.gz CUDYMZUHIVJSKW-LTFXXXRZSA-N 2 1 345.556 3.127 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1C(=O)Nc1ccccc1)C2 ZINC001172130551 1384737261 /nfs/dbraw/zinc/73/72/61/1384737261.db2.gz PYEZVULYXDYROQ-RDGPPVDQSA-N 2 1 327.472 3.105 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1C(=O)Nc1ccccc1)C2 ZINC001172130551 1384737264 /nfs/dbraw/zinc/73/72/64/1384737264.db2.gz PYEZVULYXDYROQ-RDGPPVDQSA-N 2 1 327.472 3.105 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1)C2 ZINC001172130551 1384737268 /nfs/dbraw/zinc/73/72/68/1384737268.db2.gz PYEZVULYXDYROQ-RDGPPVDQSA-N 2 1 327.472 3.105 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H]1C(=O)Nc1ccccc1)C2 ZINC001172130551 1384737270 /nfs/dbraw/zinc/73/72/70/1384737270.db2.gz PYEZVULYXDYROQ-RDGPPVDQSA-N 2 1 327.472 3.105 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172161234 1384740185 /nfs/dbraw/zinc/74/01/85/1384740185.db2.gz UJJWUPCJNNAPGU-DSLXNQLJSA-N 2 1 333.520 3.044 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+][C@H]2CSc3ccccc3C2)cc1 ZINC001172198861 1384745782 /nfs/dbraw/zinc/74/57/82/1384745782.db2.gz XUFJMNKRADXODB-BNDYYXHWSA-N 2 1 336.504 3.423 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+][C@H]2CSc3ccccc3C2)cc1 ZINC001172198861 1384745785 /nfs/dbraw/zinc/74/57/85/1384745785.db2.gz XUFJMNKRADXODB-BNDYYXHWSA-N 2 1 336.504 3.423 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccccc2OC)CC1 ZINC001172256423 1384757223 /nfs/dbraw/zinc/75/72/23/1384757223.db2.gz WAFVTILNKONOTO-IBGZPJMESA-N 2 1 332.488 3.333 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccccc2OC)CC1 ZINC001172256423 1384757226 /nfs/dbraw/zinc/75/72/26/1384757226.db2.gz WAFVTILNKONOTO-IBGZPJMESA-N 2 1 332.488 3.333 20 0 EGADMP CC[C@@H](C)OCC[C@@H](C)n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001172330393 1384771247 /nfs/dbraw/zinc/77/12/47/1384771247.db2.gz LPCVMSUKUMKEJZ-HZPDHXFCSA-N 2 1 336.524 3.135 20 0 EGADMP C[C@@H]1CC[C@H]([N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)C[C@H]1C ZINC001172376250 1384779978 /nfs/dbraw/zinc/77/99/78/1384779978.db2.gz UFLQMEFNPJUELO-KURKYZTESA-N 2 1 330.520 3.162 20 0 EGADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172638129 1384824159 /nfs/dbraw/zinc/82/41/59/1384824159.db2.gz UOPNPPGOAASJPQ-YESZJQIVSA-N 2 1 341.540 3.471 20 0 EGADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CC1 ZINC001172781072 1384850773 /nfs/dbraw/zinc/85/07/73/1384850773.db2.gz UVRONURHQIQTKT-JKSUJKDBSA-N 2 1 348.462 3.197 20 0 EGADMP COC(=O)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3[nH+]cccc3C)CC2)CC1 ZINC001172793071 1384853196 /nfs/dbraw/zinc/85/31/96/1384853196.db2.gz SSUBVKXGAWJHBN-DLBZAZTESA-N 2 1 345.487 3.070 20 0 EGADMP CCn1ncc2c1[C@H](COC)C[N@H+](C1CCC([NH+](CC)CC)CC1)C2 ZINC001173112277 1384916894 /nfs/dbraw/zinc/91/68/94/1384916894.db2.gz ZLQPRIYENYDBEG-VIQWUECVSA-N 2 1 348.535 3.102 20 0 EGADMP c1nc2c(s1)C[C@H]([NH2+]C1[C@@H]3C[C@H]1C[N@@H+](Cc1ccccc1)C3)CC2 ZINC001173124187 1384919071 /nfs/dbraw/zinc/91/90/71/1384919071.db2.gz LSAVYUMVGVFKAK-IWRZSDRUSA-N 2 1 339.508 3.111 20 0 EGADMP c1nc2c(s1)C[C@H]([NH2+]C1[C@@H]3C[C@H]1C[N@H+](Cc1ccccc1)C3)CC2 ZINC001173124187 1384919077 /nfs/dbraw/zinc/91/90/77/1384919077.db2.gz LSAVYUMVGVFKAK-IWRZSDRUSA-N 2 1 339.508 3.111 20 0 EGADMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1CCc2ncsc2C1 ZINC001173135531 1384921042 /nfs/dbraw/zinc/92/10/42/1384921042.db2.gz MWIXRKABZHYQGR-CABCVRRESA-N 2 1 349.544 3.012 20 0 EGADMP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC001173269778 1384947912 /nfs/dbraw/zinc/94/79/12/1384947912.db2.gz XTORMEUTZNNEOR-VMXMFDLUSA-N 2 1 333.564 3.494 20 0 EGADMP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@@H]3CC[C@@H](CC)C3)CC2)CC1 ZINC001173280638 1384950025 /nfs/dbraw/zinc/95/00/25/1384950025.db2.gz NBAXYMWVTPCOLN-VQIMIIECSA-N 2 1 336.520 3.305 20 0 EGADMP CC[N@@H+]1CC[C@H](N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)C1 ZINC001173362412 1384964939 /nfs/dbraw/zinc/96/49/39/1384964939.db2.gz GXZOECPBZDJFLP-SFHVURJKSA-N 2 1 336.439 3.088 20 0 EGADMP CC[N@H+]1CC[C@H](N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)C1 ZINC001173362412 1384964942 /nfs/dbraw/zinc/96/49/42/1384964942.db2.gz GXZOECPBZDJFLP-SFHVURJKSA-N 2 1 336.439 3.088 20 0 EGADMP COC(=O)CCCC[C@H](C)N(c1cccc(C)[nH+]1)C1CC[NH2+]CC1 ZINC001173458934 1384975040 /nfs/dbraw/zinc/97/50/40/1384975040.db2.gz KXSWYTIOHVZMPY-INIZCTEOSA-N 2 1 333.476 3.070 20 0 EGADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+](CCC[NH3+])C1CCCCC1)CC2 ZINC001173599627 1384985042 /nfs/dbraw/zinc/98/50/42/1384985042.db2.gz PTLAGPDBSUIPSN-FDYSRKEFSA-N 2 1 336.520 3.482 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@H](N(c2[nH+]cccc2C)C2CC[NH2+]CC2)C1 ZINC001173664699 1385000085 /nfs/dbraw/zinc/00/00/85/1385000085.db2.gz NERWAZJIFCIEGE-WMZOPIPTSA-N 2 1 345.487 3.070 20 0 EGADMP COC(=O)c1ccc(C[C@@H](C)[N@@H+](CCC[NH3+])C2CCCCC2)cc1 ZINC001173709647 1385006390 /nfs/dbraw/zinc/00/63/90/1385006390.db2.gz PKSFVDIFXYQYQR-MRXNPFEDSA-N 2 1 332.488 3.388 20 0 EGADMP C[C@H](c1cccc2ccccc21)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001317443199 1385144493 /nfs/dbraw/zinc/14/44/93/1385144493.db2.gz NASGUYNYBATUOA-UZLBHIALSA-N 2 1 339.483 3.043 20 0 EGADMP C[C@H](c1cccc2ccccc21)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001317443199 1385144494 /nfs/dbraw/zinc/14/44/94/1385144494.db2.gz NASGUYNYBATUOA-UZLBHIALSA-N 2 1 339.483 3.043 20 0 EGADMP C[C@H](c1cccc2ccccc21)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001317443199 1385144495 /nfs/dbraw/zinc/14/44/95/1385144495.db2.gz NASGUYNYBATUOA-UZLBHIALSA-N 2 1 339.483 3.043 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)c1cccc2ccccc21 ZINC001317467422 1385160241 /nfs/dbraw/zinc/16/02/41/1385160241.db2.gz DQNGZJMTDAIGDS-KRWDZBQOSA-N 2 1 341.499 3.291 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)[C@@H](C)c1cccc2ccccc21 ZINC001317467422 1385160243 /nfs/dbraw/zinc/16/02/43/1385160243.db2.gz DQNGZJMTDAIGDS-KRWDZBQOSA-N 2 1 341.499 3.291 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@@H](C)c1cccc2ccccc21 ZINC001317467422 1385160245 /nfs/dbraw/zinc/16/02/45/1385160245.db2.gz DQNGZJMTDAIGDS-KRWDZBQOSA-N 2 1 341.499 3.291 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)Cc1ccccc1C ZINC001317490116 1385189898 /nfs/dbraw/zinc/18/98/98/1385189898.db2.gz VHFNDCPTFUWXGC-HXUWFJFHSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)Cc1ccccc1C ZINC001317490116 1385189899 /nfs/dbraw/zinc/18/98/99/1385189899.db2.gz VHFNDCPTFUWXGC-HXUWFJFHSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)Cc1ccccc1C ZINC001317490116 1385189901 /nfs/dbraw/zinc/18/99/01/1385189901.db2.gz VHFNDCPTFUWXGC-HXUWFJFHSA-N 2 1 345.531 3.196 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)COc2ccccc2)c1 ZINC001335940738 1388971762 /nfs/dbraw/zinc/97/17/62/1388971762.db2.gz FXVOOEOBPTUZBZ-FQEVSTJZSA-N 2 1 342.483 3.056 20 0 EGADMP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175262648 1385233163 /nfs/dbraw/zinc/23/31/63/1385233163.db2.gz JCGJJWAJRHKBMM-QZTJIDSGSA-N 2 1 335.536 3.093 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001175262990 1385233762 /nfs/dbraw/zinc/23/37/62/1385233762.db2.gz MNPHVNTUTILHCN-RTBURBONSA-N 2 1 345.531 3.101 20 0 EGADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175264669 1385234516 /nfs/dbraw/zinc/23/45/16/1385234516.db2.gz UJQJRNAWJUEENY-APWZRJJASA-N 2 1 343.531 3.120 20 0 EGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175271394 1385235944 /nfs/dbraw/zinc/23/59/44/1385235944.db2.gz AYRAJLWLUVOJNJ-KRWDZBQOSA-N 2 1 325.541 3.173 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175272258 1385237083 /nfs/dbraw/zinc/23/70/83/1385237083.db2.gz ITJNHFWKEOEVPO-QGZVFWFLSA-N 2 1 325.541 3.029 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+][C@H](C)c1ccccc1 ZINC001176022912 1385463660 /nfs/dbraw/zinc/46/36/60/1385463660.db2.gz DCMRZMXRCFMZBK-ZWKOTPCHSA-N 2 1 333.520 3.354 20 0 EGADMP c1c[nH+]c(Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)[nH]1 ZINC001176082577 1385479771 /nfs/dbraw/zinc/47/97/71/1385479771.db2.gz DLZAJIIEYXFOST-UHFFFAOYSA-N 2 1 347.466 3.471 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)CCCC[NH2+]C(C)C)c1ccccc1 ZINC001176120245 1385489110 /nfs/dbraw/zinc/48/91/10/1385489110.db2.gz LTTHSPWSZGCEQR-MJGOQNOKSA-N 2 1 333.520 3.352 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176166517 1385500741 /nfs/dbraw/zinc/50/07/41/1385500741.db2.gz RVWRMVLDPFZABT-MSOLQXFVSA-N 2 1 349.563 3.173 20 0 EGADMP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001176165418 1385500745 /nfs/dbraw/zinc/50/07/45/1385500745.db2.gz KWCTVILLPNMQKQ-QUCCMNQESA-N 2 1 345.531 3.101 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001176166579 1385500777 /nfs/dbraw/zinc/50/07/77/1385500777.db2.gz SKDDQMZKRKELEM-ICSRJNTNSA-N 2 1 345.531 3.101 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001176268311 1385532406 /nfs/dbraw/zinc/53/24/06/1385532406.db2.gz IVJUAUCZQPWRBW-KRWDZBQOSA-N 2 1 339.568 3.419 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001176284735 1385539064 /nfs/dbraw/zinc/53/90/64/1385539064.db2.gz JROBPGOOPOJXMU-CVEARBPZSA-N 2 1 347.494 3.028 20 0 EGADMP CN1CC[NH+](Cc2ccc(Nc3ccc(C[NH+](C)C)cc3)cc2)CC1 ZINC001176292242 1385541666 /nfs/dbraw/zinc/54/16/66/1385541666.db2.gz QWRYFQOVUSPKKO-UHFFFAOYSA-N 2 1 338.499 3.239 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176564194 1385626620 /nfs/dbraw/zinc/62/66/20/1385626620.db2.gz MVQVHHZYIWRBJW-HKUYNNGSSA-N 2 1 349.563 3.173 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH2+]CCC1CCCCC1 ZINC001176591628 1385634654 /nfs/dbraw/zinc/63/46/54/1385634654.db2.gz NBJOYFLUUZDXSH-QGZVFWFLSA-N 2 1 348.535 3.427 20 0 EGADMP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC001318287382 1385642419 /nfs/dbraw/zinc/64/24/19/1385642419.db2.gz XDILCWSGYAHWHI-ROUUACIJSA-N 2 1 347.503 3.106 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC001318287382 1385642425 /nfs/dbraw/zinc/64/24/25/1385642425.db2.gz XDILCWSGYAHWHI-ROUUACIJSA-N 2 1 347.503 3.106 20 0 EGADMP CC[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001318554474 1385752446 /nfs/dbraw/zinc/75/24/46/1385752446.db2.gz IFGBLEVVNPWDAG-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001176992075 1385765717 /nfs/dbraw/zinc/76/57/17/1385765717.db2.gz IKPVQTRAQNMBEN-QUCCMNQESA-N 2 1 345.531 3.335 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C[NH2+]Cc2cc(C)ccc2C)CCCC1 ZINC001318662852 1385822562 /nfs/dbraw/zinc/82/25/62/1385822562.db2.gz ADXUKMUYSRVZAF-UHFFFAOYSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001177317301 1385911856 /nfs/dbraw/zinc/91/18/56/1385911856.db2.gz UABHPTVOBUKDNG-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001177317385 1385912462 /nfs/dbraw/zinc/91/24/62/1385912462.db2.gz VVLANKHYEYBVQQ-IBGZPJMESA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)C1CCC1 ZINC001177345262 1385922645 /nfs/dbraw/zinc/92/26/45/1385922645.db2.gz XWCSGKFCOUXKGF-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(CCC[NH2+]CCC1CC1)CC1CCCC1 ZINC001177456706 1385963135 /nfs/dbraw/zinc/96/31/35/1385963135.db2.gz XYJLPAPKOJFLOP-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CC[C@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@@H+](C)CC ZINC001177456669 1385963260 /nfs/dbraw/zinc/96/32/60/1385963260.db2.gz VZVCMTYXEITGAN-SFHVURJKSA-N 2 1 339.568 3.373 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CCCC1 ZINC001319352477 1386075064 /nfs/dbraw/zinc/07/50/64/1386075064.db2.gz WKYSJCHWIHQMFK-IBGZPJMESA-N 2 1 343.515 3.078 20 0 EGADMP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001178693504 1386280084 /nfs/dbraw/zinc/28/00/84/1386280084.db2.gz UQNOGHPKWJARQM-MSOLQXFVSA-N 2 1 343.531 3.264 20 0 EGADMP CC(C)C[NH2+]CCCCCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001178693656 1386280289 /nfs/dbraw/zinc/28/02/89/1386280289.db2.gz ZUMROPCBBHVHGA-SFHVURJKSA-N 2 1 325.541 3.172 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCC3CCOCC3)CC2)cc1 ZINC001319766896 1386287177 /nfs/dbraw/zinc/28/71/77/1386287177.db2.gz PSDIDSWLJUCVGE-UHFFFAOYSA-N 2 1 334.479 3.239 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]1C ZINC001178735873 1386292542 /nfs/dbraw/zinc/29/25/42/1386292542.db2.gz HSJKOZOIIJTSEF-IKGGRYGDSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCCC3CCC3)[C@@H]2C)C1 ZINC001178878051 1386336532 /nfs/dbraw/zinc/33/65/32/1386336532.db2.gz LFLXKMWPWVRIFA-IHPCNDPISA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]([NH2+][C@@H]1CCCc2ccccc21)C(C)C ZINC001319957622 1386419070 /nfs/dbraw/zinc/41/90/70/1386419070.db2.gz QZAVVAPYNJDMTF-UXHICEINSA-N 2 1 345.531 3.136 20 0 EGADMP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179383035 1386468089 /nfs/dbraw/zinc/46/80/89/1386468089.db2.gz HFYHYNTWGRLRPW-HKUYNNGSSA-N 2 1 339.568 3.419 20 0 EGADMP CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001320072435 1386490991 /nfs/dbraw/zinc/49/09/91/1386490991.db2.gz HZVACPCTJSVQOS-YOEHRIQHSA-N 2 1 339.911 3.131 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001179585413 1386522964 /nfs/dbraw/zinc/52/29/64/1386522964.db2.gz GZCSUOBBLRKKQB-UYAOXDASSA-N 2 1 349.563 3.341 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001179585447 1386522997 /nfs/dbraw/zinc/52/29/97/1386522997.db2.gz HZXPWSOYFIHDSO-OALUTQOASA-N 2 1 339.568 3.277 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCCCCCC[NH2+]CCCC2CCC2)C1 ZINC001179587207 1386524235 /nfs/dbraw/zinc/52/42/35/1386524235.db2.gz XKGAWGIGARNJJK-GOSISDBHSA-N 2 1 337.552 3.175 20 0 EGADMP CCC/C=C\CC[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001179587325 1386524492 /nfs/dbraw/zinc/52/44/92/1386524492.db2.gz YLNQNHAYZGDYJH-VOFKWLDRSA-N 2 1 337.552 3.341 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CC(C)C2)[C@@H]1C ZINC001179749134 1386570606 /nfs/dbraw/zinc/57/06/06/1386570606.db2.gz ZGMHFCKDTYPAOW-JEVOJNTISA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001179777185 1386581730 /nfs/dbraw/zinc/58/17/30/1386581730.db2.gz PSUOCNAFSMKLIO-CHYADLBTSA-N 2 1 334.508 3.211 20 0 EGADMP CCC/C=C\CC[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001180060495 1386683112 /nfs/dbraw/zinc/68/31/12/1386683112.db2.gz FHOWNWDZQOIENO-SFFCAUCYSA-N 2 1 337.552 3.341 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001180124510 1386704486 /nfs/dbraw/zinc/70/44/86/1386704486.db2.gz YRKKJYHNRQGQJW-UHFFFAOYSA-N 2 1 325.541 3.175 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001320864466 1386742318 /nfs/dbraw/zinc/74/23/18/1386742318.db2.gz WMHKWBLXOJTZOD-AZUAARDMSA-N 2 1 345.531 3.449 20 0 EGADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(-c2cnn(C)c2)cc1 ZINC001321071446 1386800201 /nfs/dbraw/zinc/80/02/01/1386800201.db2.gz SCSOMZHZCNGFSR-FQEVSTJZSA-N 2 1 326.488 3.393 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+](C)CC[C@@H]3CCCC[NH+]3C)cc2)cn1 ZINC001321071446 1386800204 /nfs/dbraw/zinc/80/02/04/1386800204.db2.gz SCSOMZHZCNGFSR-FQEVSTJZSA-N 2 1 326.488 3.393 20 0 EGADMP Cn1cc(-c2ccc(C[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)cc2)cn1 ZINC001321071446 1386800207 /nfs/dbraw/zinc/80/02/07/1386800207.db2.gz SCSOMZHZCNGFSR-FQEVSTJZSA-N 2 1 326.488 3.393 20 0 EGADMP Cn1cc(-c2ccc(C[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)cc2)cn1 ZINC001321071446 1386800212 /nfs/dbraw/zinc/80/02/12/1386800212.db2.gz SCSOMZHZCNGFSR-FQEVSTJZSA-N 2 1 326.488 3.393 20 0 EGADMP Cn1cc(-c2ccc(C[NH+](C)CC[C@@H]3CCCC[N@H+]3C)cc2)cn1 ZINC001321071446 1386800217 /nfs/dbraw/zinc/80/02/17/1386800217.db2.gz SCSOMZHZCNGFSR-FQEVSTJZSA-N 2 1 326.488 3.393 20 0 EGADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1Cc1cccc(C)c1 ZINC001321762288 1386978876 /nfs/dbraw/zinc/97/88/76/1386978876.db2.gz VAYHUDHPMCIPAQ-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CCCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001321762288 1386978878 /nfs/dbraw/zinc/97/88/78/1386978878.db2.gz VAYHUDHPMCIPAQ-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CCCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001321762288 1386978883 /nfs/dbraw/zinc/97/88/83/1386978883.db2.gz VAYHUDHPMCIPAQ-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP COc1ccc(Cl)cc1CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC001321893491 1387004864 /nfs/dbraw/zinc/00/48/64/1387004864.db2.gz RVVXRAWHERGPPN-UHFFFAOYSA-N 2 1 339.892 3.199 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(C)C)C1 ZINC001181518144 1387008479 /nfs/dbraw/zinc/00/84/79/1387008479.db2.gz OWVXSJAYKMVWFI-MBOZVWFJSA-N 2 1 348.535 3.127 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(C)C)C1 ZINC001181518142 1387008732 /nfs/dbraw/zinc/00/87/32/1387008732.db2.gz OWVXSJAYKMVWFI-FUHIMQAGSA-N 2 1 348.535 3.127 20 0 EGADMP CCCCC[N@@H+](C)CCC(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001181868877 1387067404 /nfs/dbraw/zinc/06/74/04/1387067404.db2.gz OBEHOAGFCJDEEB-UHFFFAOYSA-N 2 1 349.494 3.114 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001181997167 1387089984 /nfs/dbraw/zinc/08/99/84/1387089984.db2.gz GCWNXQLPYFKSFF-LJQANCHMSA-N 2 1 329.488 3.309 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182590778 1387193095 /nfs/dbraw/zinc/19/30/95/1387193095.db2.gz SZTHSBKAOLUIJR-DUFJLWIISA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001182629872 1387198797 /nfs/dbraw/zinc/19/87/97/1387198797.db2.gz MWISGXSGYGJYAW-BWPKTWLJSA-N 2 1 349.563 3.149 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001182692094 1387207688 /nfs/dbraw/zinc/20/76/88/1387207688.db2.gz BTQUCONBXSGYMM-DLBZAZTESA-N 2 1 334.508 3.167 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)C)C1 ZINC001182897252 1387241415 /nfs/dbraw/zinc/24/14/15/1387241415.db2.gz SGPOYPNBDYLLAS-YLJYHZDGSA-N 2 1 348.535 3.092 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001329462801 1389119119 /nfs/dbraw/zinc/11/91/19/1389119119.db2.gz ZUFWZSZBBDDUPN-QFBILLFUSA-N 2 1 331.504 3.059 20 0 EGADMP O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@H]1CC[N@H+]1C1CCCC1 ZINC001330202835 1389339265 /nfs/dbraw/zinc/33/92/65/1389339265.db2.gz NULMGWQBKIJITH-LJQANCHMSA-N 2 1 327.472 3.238 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC1CC[NH+](CC2CCC2)CC1 ZINC001698725662 1406375250 /nfs/dbraw/zinc/37/52/50/1406375250.db2.gz NFHMURSXMPLNDC-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001331614121 1389828927 /nfs/dbraw/zinc/82/89/27/1389828927.db2.gz VUABHAANPQVCNE-QGZVFWFLSA-N 2 1 341.499 3.118 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2nccnc2C[NH3+])C1 ZINC001339535037 1390058527 /nfs/dbraw/zinc/05/85/27/1390058527.db2.gz DSSMPOVZRVPCNE-IYBDPMFKSA-N 2 1 339.487 3.025 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001332885854 1390209354 /nfs/dbraw/zinc/20/93/54/1390209354.db2.gz SBOMXYFYTOMEBD-SFHVURJKSA-N 2 1 347.503 3.219 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)c2ccc(CC[NH3+])cc2)cc1Cl ZINC001340979607 1390418298 /nfs/dbraw/zinc/41/82/98/1390418298.db2.gz GAOXFPDDMLCNGP-UHFFFAOYSA-N 2 1 331.847 3.155 20 0 EGADMP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001342959661 1390677863 /nfs/dbraw/zinc/67/78/63/1390677863.db2.gz HFZPHZLKPWCJBA-UONOGXRCSA-N 2 1 344.425 3.129 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3OCC(F)F)C[C@@H]2C1 ZINC001343335354 1390707856 /nfs/dbraw/zinc/70/78/56/1390707856.db2.gz XCUXQZCMWHKZIE-HYVNUMGLSA-N 2 1 338.442 3.493 20 0 EGADMP Cc1nc(N2CCCCC2)sc1CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC001343338387 1390708137 /nfs/dbraw/zinc/70/81/37/1390708137.db2.gz ZSVVUGMNHVGTFI-MRXNPFEDSA-N 2 1 336.549 3.262 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC001343338387 1390708139 /nfs/dbraw/zinc/70/81/39/1390708139.db2.gz ZSVVUGMNHVGTFI-MRXNPFEDSA-N 2 1 336.549 3.262 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC001343338387 1390708141 /nfs/dbraw/zinc/70/81/41/1390708141.db2.gz ZSVVUGMNHVGTFI-MRXNPFEDSA-N 2 1 336.549 3.262 20 0 EGADMP CN(C)c1ncc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC001344534004 1390798057 /nfs/dbraw/zinc/79/80/57/1390798057.db2.gz IQUZGCNUEJHWRT-IBGZPJMESA-N 2 1 344.528 3.211 20 0 EGADMP CN(C)c1ncc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC001344534004 1390798058 /nfs/dbraw/zinc/79/80/58/1390798058.db2.gz IQUZGCNUEJHWRT-IBGZPJMESA-N 2 1 344.528 3.211 20 0 EGADMP CC(C)c1cn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(=S)n1C ZINC001345107530 1390837898 /nfs/dbraw/zinc/83/78/98/1390837898.db2.gz BBZGPXPBOOUXBE-ARFHVFGLSA-N 2 1 336.549 3.299 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3ncc(C(F)(F)F)s3)C[C@@H]2C1 ZINC001352113163 1391761016 /nfs/dbraw/zinc/76/10/16/1391761016.db2.gz QAOGMNMSKOFNBU-SDDRHHMPSA-N 2 1 333.423 3.324 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ncc(C(F)(F)F)s3)C[C@@H]2C1 ZINC001352113163 1391761019 /nfs/dbraw/zinc/76/10/19/1391761019.db2.gz QAOGMNMSKOFNBU-SDDRHHMPSA-N 2 1 333.423 3.324 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](CCCC2CCC2)C1)CC(C)(C)C ZINC001479910339 1392477741 /nfs/dbraw/zinc/47/77/41/1392477741.db2.gz RXAXJZKZXNSARS-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)C1)CC(C)(C)C ZINC001479910339 1392477745 /nfs/dbraw/zinc/47/77/45/1392477745.db2.gz RXAXJZKZXNSARS-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)C1)CC(C)(C)C ZINC001479910339 1392477748 /nfs/dbraw/zinc/47/77/48/1392477748.db2.gz RXAXJZKZXNSARS-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001479915261 1392482868 /nfs/dbraw/zinc/48/28/68/1392482868.db2.gz ORERBYGRZBUYMG-IBGZPJMESA-N 2 1 335.536 3.023 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001480304295 1392668308 /nfs/dbraw/zinc/66/83/08/1392668308.db2.gz XEEDUJRHXUAQQL-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001480382165 1392725845 /nfs/dbraw/zinc/72/58/45/1392725845.db2.gz HQLNYJAQPOVVAB-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1ccc(C[N@@H+](C)CCNC(=O)CCC[NH+]2CCCCC2)c(C)c1 ZINC001480947640 1393040005 /nfs/dbraw/zinc/04/00/05/1393040005.db2.gz CTCWWNLBGDWDCG-UHFFFAOYSA-N 2 1 345.531 3.118 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)Cc1cc(C)cc(C)c1 ZINC001480979461 1393063673 /nfs/dbraw/zinc/06/36/73/1393063673.db2.gz JRHMJGMBDGFWFQ-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC)Cc1cc(C)cc(C)c1 ZINC001480979461 1393063678 /nfs/dbraw/zinc/06/36/78/1393063678.db2.gz JRHMJGMBDGFWFQ-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC)Cc1cc(C)cc(C)c1 ZINC001480979461 1393063680 /nfs/dbraw/zinc/06/36/80/1393063680.db2.gz JRHMJGMBDGFWFQ-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)[C@@H](C)c1cccc(F)c1 ZINC001480979438 1393064496 /nfs/dbraw/zinc/06/44/96/1393064496.db2.gz JEPGMIDTUDLVFG-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC)[C@@H](C)c1cccc(F)c1 ZINC001480979438 1393064499 /nfs/dbraw/zinc/06/44/99/1393064499.db2.gz JEPGMIDTUDLVFG-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC)[C@@H](C)c1cccc(F)c1 ZINC001480979438 1393064500 /nfs/dbraw/zinc/06/45/00/1393064500.db2.gz JEPGMIDTUDLVFG-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)CC1CCC(C)(C)CC1 ZINC001480993653 1393073246 /nfs/dbraw/zinc/07/32/46/1393073246.db2.gz HNMXKQZOCHWNJG-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)CC1CCC(C)(C)CC1 ZINC001480993653 1393073251 /nfs/dbraw/zinc/07/32/51/1393073251.db2.gz HNMXKQZOCHWNJG-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)Cc1ccccc1C ZINC001481149775 1393134792 /nfs/dbraw/zinc/13/47/92/1393134792.db2.gz LOWQRCTVLJFBBJ-UHFFFAOYSA-N 2 1 345.531 3.055 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001481287826 1393158823 /nfs/dbraw/zinc/15/88/23/1393158823.db2.gz ORKVBVRYOZGMMM-QFBILLFUSA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@@H](C)C[NH2+][C@@H](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001481340467 1393167993 /nfs/dbraw/zinc/16/79/93/1393167993.db2.gz QEXOBOVFXODOIL-SJORKVTESA-N 2 1 348.535 3.235 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001490606063 1394280306 /nfs/dbraw/zinc/28/03/06/1394280306.db2.gz PYWGPYCRGZHKTG-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)CC1(C(=O)NCC[C@H]2CC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001481443935 1394296907 /nfs/dbraw/zinc/29/69/07/1394296907.db2.gz HNSAOGPNFDIDJY-IBGZPJMESA-N 2 1 349.563 3.127 20 0 EGADMP Cc1ccccc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001481740966 1394487107 /nfs/dbraw/zinc/48/71/07/1394487107.db2.gz GXSYAKWNLOGIQX-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP Cc1ccccc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001481740966 1394487109 /nfs/dbraw/zinc/48/71/09/1394487109.db2.gz GXSYAKWNLOGIQX-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP Cc1ccccc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001481740966 1394487111 /nfs/dbraw/zinc/48/71/11/1394487111.db2.gz GXSYAKWNLOGIQX-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP CCc1ccc(C[N@@H+]2CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C2)cc1 ZINC001481773164 1394517094 /nfs/dbraw/zinc/51/70/94/1394517094.db2.gz PWBNYKROHPWTMB-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001482024698 1394683086 /nfs/dbraw/zinc/68/30/86/1394683086.db2.gz HZZXSMZDJNLEBN-SNRMKQJTSA-N 2 1 349.494 3.246 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001484061178 1395225732 /nfs/dbraw/zinc/22/57/32/1395225732.db2.gz PRJJTRTYERIWOE-YLJYHZDGSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001484061178 1395225737 /nfs/dbraw/zinc/22/57/37/1395225737.db2.gz PRJJTRTYERIWOE-YLJYHZDGSA-N 2 1 348.535 3.269 20 0 EGADMP CCC(CC)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001484114296 1395259270 /nfs/dbraw/zinc/25/92/70/1395259270.db2.gz FYHBKXWWBHCNHB-HXUWFJFHSA-N 2 1 339.568 3.229 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@@]2(C)CCC[N@@H+](CC3CCCCC3)C2)CCC1 ZINC001484161809 1395295981 /nfs/dbraw/zinc/29/59/81/1395295981.db2.gz ZKFVTBGYSQWLQP-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001484172564 1395315126 /nfs/dbraw/zinc/31/51/26/1395315126.db2.gz GFXWZRKJDNHLCT-AZUAARDMSA-N 2 1 339.568 3.227 20 0 EGADMP CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CCC([NH2+]CCC2CC2)CC1 ZINC001485241959 1395735802 /nfs/dbraw/zinc/73/58/02/1395735802.db2.gz SRWDJLGQNFODPD-UHFFFAOYSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CCC[NH+](CC1CCCCCC1)C2 ZINC001485667137 1396095060 /nfs/dbraw/zinc/09/50/60/1396095060.db2.gz YZTMYCFMBNONTO-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CCC[N@H+](CC1CCCCCC1)C2 ZINC001485667137 1396095068 /nfs/dbraw/zinc/09/50/68/1396095068.db2.gz YZTMYCFMBNONTO-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCCCCC1)C2 ZINC001485667137 1396095075 /nfs/dbraw/zinc/09/50/75/1396095075.db2.gz YZTMYCFMBNONTO-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001485714208 1396114062 /nfs/dbraw/zinc/11/40/62/1396114062.db2.gz BVSZHDBQNPATRN-FXAWDEMLSA-N 2 1 345.531 3.279 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001486185377 1396181159 /nfs/dbraw/zinc/18/11/59/1396181159.db2.gz AIBSYAJTUZDQHY-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](Cc1ccccc1)C1CC1 ZINC001493423984 1396339718 /nfs/dbraw/zinc/33/97/18/1396339718.db2.gz OITMCMYQYZSYIP-HXUWFJFHSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](Cc1ccccc1)C1CC1 ZINC001493423984 1396339719 /nfs/dbraw/zinc/33/97/19/1396339719.db2.gz OITMCMYQYZSYIP-HXUWFJFHSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](Cc1ccccc1)C1CC1 ZINC001493423984 1396339720 /nfs/dbraw/zinc/33/97/20/1396339720.db2.gz OITMCMYQYZSYIP-HXUWFJFHSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001494294194 1396421988 /nfs/dbraw/zinc/42/19/88/1396421988.db2.gz YBOCAHHRFIOJQO-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H](CC)c2ccccc2)C1 ZINC001494294194 1396421991 /nfs/dbraw/zinc/42/19/91/1396421991.db2.gz YBOCAHHRFIOJQO-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC001494294194 1396421992 /nfs/dbraw/zinc/42/19/92/1396421992.db2.gz YBOCAHHRFIOJQO-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001689909699 1404202491 /nfs/dbraw/zinc/20/24/91/1404202491.db2.gz RVLAJQQYWWDCOK-IRXDYDNUSA-N 2 1 334.508 3.022 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001690292371 1404452725 /nfs/dbraw/zinc/45/27/25/1404452725.db2.gz USLPKSDIYKGAKK-XIRDDKMYSA-N 2 1 346.519 3.042 20 0 EGADMP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1)[NH+](C)C ZINC001690312520 1404468899 /nfs/dbraw/zinc/46/88/99/1404468899.db2.gz UIXGXTBYVLIITM-RAFMOHDBSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC001691189191 1405127527 /nfs/dbraw/zinc/12/75/27/1405127527.db2.gz RTCNMKYBZFYWAR-INIZCTEOSA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001691317581 1405203998 /nfs/dbraw/zinc/20/39/98/1405203998.db2.gz ZMZXVOMDXZVIDY-OALUTQOASA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@H](C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCCn1cc[nH+]c1C ZINC001691847864 1405561827 /nfs/dbraw/zinc/56/18/27/1405561827.db2.gz NRLGORRSOOHGID-SCTDSRPQSA-N 2 1 348.535 3.235 20 0 EGADMP CCCN(C(=O)CCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001691866931 1405586429 /nfs/dbraw/zinc/58/64/29/1405586429.db2.gz JZMJPDNTCCIWBC-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CCC(CC)C[N@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001691984399 1405696312 /nfs/dbraw/zinc/69/63/12/1405696312.db2.gz HDVZYRDQMXBPJN-GOSISDBHSA-N 2 1 348.535 3.223 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001691984399 1405696317 /nfs/dbraw/zinc/69/63/17/1405696317.db2.gz HDVZYRDQMXBPJN-GOSISDBHSA-N 2 1 348.535 3.223 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@@H]2C1 ZINC001692274900 1405906073 /nfs/dbraw/zinc/90/60/73/1405906073.db2.gz SJHFOGIDWBBPSL-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CCc1cccc(C[N@@H+]2CC[C@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C2)c1 ZINC001698588678 1406208675 /nfs/dbraw/zinc/20/86/75/1406208675.db2.gz RXYHHJQLNPHPQO-PMACEKPBSA-N 2 1 345.531 3.012 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001698589158 1406210214 /nfs/dbraw/zinc/21/02/14/1406210214.db2.gz ZCTHWGIBRSPWLX-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001698589158 1406210218 /nfs/dbraw/zinc/21/02/18/1406210218.db2.gz ZCTHWGIBRSPWLX-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001698589158 1406210221 /nfs/dbraw/zinc/21/02/21/1406210221.db2.gz ZCTHWGIBRSPWLX-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP C[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC001732052065 1428292916 /nfs/dbraw/zinc/29/29/16/1428292916.db2.gz CLROBYKZRSPFCY-LJQANCHMSA-N 2 1 349.563 3.127 20 0 EGADMP O=C(NCC1([NH2+]CC2CC2)CCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001732395491 1428563083 /nfs/dbraw/zinc/56/30/83/1428563083.db2.gz PIGFUZGBUAUMMY-LJQANCHMSA-N 2 1 347.547 3.212 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001732485281 1428608675 /nfs/dbraw/zinc/60/86/75/1428608675.db2.gz HWIZAOQNNUGTAT-AEFFLSMTSA-N 2 1 339.568 3.227 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1ccc(C(C)C)cc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001699172422 1412551057 /nfs/dbraw/zinc/55/10/57/1412551057.db2.gz DFYWIWMXPHAIBH-XLIONFOSSA-N 2 1 345.531 3.403 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001699676536 1413070554 /nfs/dbraw/zinc/07/05/54/1413070554.db2.gz UWMAIXSWAYBBBN-GOSISDBHSA-N 2 1 349.563 3.316 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CC[C@]3(CC[N@@H+](CCCC(C)(C)C)C3)C2)CC1 ZINC001699701448 1413114960 /nfs/dbraw/zinc/11/49/60/1413114960.db2.gz FCBBYUAREVFWPO-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C)CC[NH+](Cc2c(C)cccc2C)CC1 ZINC001699773907 1413182372 /nfs/dbraw/zinc/18/23/72/1413182372.db2.gz IBVJQOULXVBKKG-UHFFFAOYSA-N 2 1 345.531 3.116 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001699826458 1413253431 /nfs/dbraw/zinc/25/34/31/1413253431.db2.gz LYCOOARKQNKFGC-HXUWFJFHSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CCC2CCCCCC2)C1 ZINC001699826458 1413253437 /nfs/dbraw/zinc/25/34/37/1413253437.db2.gz LYCOOARKQNKFGC-HXUWFJFHSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](CCC2CCCCCC2)C1 ZINC001699826458 1413253439 /nfs/dbraw/zinc/25/34/39/1413253439.db2.gz LYCOOARKQNKFGC-HXUWFJFHSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001699854271 1413284780 /nfs/dbraw/zinc/28/47/80/1413284780.db2.gz PMPJKVFZMIWBFI-FQEVSTJZSA-N 2 1 337.552 3.127 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@]1(C)CCC[NH+]([C@H](C)c2ccccc2)C1 ZINC001699877379 1413338213 /nfs/dbraw/zinc/33/82/13/1413338213.db2.gz WRKFJUWRYOOYBA-NQIIRXRSSA-N 2 1 345.531 3.308 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001699877379 1413338219 /nfs/dbraw/zinc/33/82/19/1413338219.db2.gz WRKFJUWRYOOYBA-NQIIRXRSSA-N 2 1 345.531 3.308 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001699877379 1413338222 /nfs/dbraw/zinc/33/82/22/1413338222.db2.gz WRKFJUWRYOOYBA-NQIIRXRSSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC[NH+](C)CCC2CCCC2)C1 ZINC001732589162 1428806839 /nfs/dbraw/zinc/80/68/39/1428806839.db2.gz FMNXWOISPVHTKX-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)CC[N@H+](C)CCC2CCCC2)C1 ZINC001732589162 1428806845 /nfs/dbraw/zinc/80/68/45/1428806845.db2.gz FMNXWOISPVHTKX-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)CC[N@@H+](C)CCC2CCCC2)C1 ZINC001732589162 1428806850 /nfs/dbraw/zinc/80/68/50/1428806850.db2.gz FMNXWOISPVHTKX-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CN(CC[N@@H+](C)Cc1cccc2ccccc21)C(=O)CCC[NH+](C)C ZINC001732590097 1428811173 /nfs/dbraw/zinc/81/11/73/1428811173.db2.gz LBWZYKHRNKHORK-UHFFFAOYSA-N 2 1 341.499 3.072 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cccc(F)c2)[C@@H]1C ZINC001700887652 1414546385 /nfs/dbraw/zinc/54/63/85/1414546385.db2.gz JZHFUWJBKBXHPH-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(F)c2)[C@@H]1C ZINC001700887652 1414546388 /nfs/dbraw/zinc/54/63/88/1414546388.db2.gz JZHFUWJBKBXHPH-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(F)c2)[C@@H]1C ZINC001700887652 1414546389 /nfs/dbraw/zinc/54/63/89/1414546389.db2.gz JZHFUWJBKBXHPH-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cccc(F)c2)[C@H]1C ZINC001700887656 1414546774 /nfs/dbraw/zinc/54/67/74/1414546774.db2.gz JZHFUWJBKBXHPH-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(F)c2)[C@H]1C ZINC001700887656 1414546777 /nfs/dbraw/zinc/54/67/77/1414546777.db2.gz JZHFUWJBKBXHPH-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)[C@H]1C ZINC001700887656 1414546779 /nfs/dbraw/zinc/54/67/79/1414546779.db2.gz JZHFUWJBKBXHPH-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CC(C)N(CC[N@@H+](C)CCC1=CCCCC1)C(=O)[C@H]1CCC[NH+]1C ZINC001700974704 1414606737 /nfs/dbraw/zinc/60/67/37/1414606737.db2.gz LBLJICJHVRUIPQ-LJQANCHMSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)N(CC[NH+](C)CCC1=CCCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001700974704 1414606739 /nfs/dbraw/zinc/60/67/39/1414606739.db2.gz LBLJICJHVRUIPQ-LJQANCHMSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)N(CC[NH+](C)CCC1=CCCCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001700974704 1414606745 /nfs/dbraw/zinc/60/67/45/1414606745.db2.gz LBLJICJHVRUIPQ-LJQANCHMSA-N 2 1 335.536 3.140 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001732628136 1428890413 /nfs/dbraw/zinc/89/04/13/1428890413.db2.gz UCVAZMZNCASMCY-UXHICEINSA-N 2 1 345.531 3.020 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001733020568 1429139878 /nfs/dbraw/zinc/13/98/78/1429139878.db2.gz MNTZGXXCPPFCMR-DLBZAZTESA-N 2 1 347.547 3.481 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001707447364 1417350987 /nfs/dbraw/zinc/35/09/87/1417350987.db2.gz QSVPJBZKRCSYGD-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CC12CC[NH+](CCCC1CCC1)CC2)C1CCC1 ZINC001713093993 1417642229 /nfs/dbraw/zinc/64/22/29/1417642229.db2.gz BGGZYUAGLOLLEE-LJQANCHMSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001713173548 1417746287 /nfs/dbraw/zinc/74/62/87/1417746287.db2.gz IHWVQRWZEAMMHI-VDGAXYAQSA-N 2 1 345.531 3.450 20 0 EGADMP CCc1ccccc1C[NH+]1CCCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001713257116 1417859057 /nfs/dbraw/zinc/85/90/57/1417859057.db2.gz VKIGYTDTYZAXRI-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCc1ccccc1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001713257116 1417859059 /nfs/dbraw/zinc/85/90/59/1417859059.db2.gz VKIGYTDTYZAXRI-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCc1ccccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001713257116 1417859063 /nfs/dbraw/zinc/85/90/63/1417859063.db2.gz VKIGYTDTYZAXRI-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2ccccc2C)C1 ZINC001713398923 1418019281 /nfs/dbraw/zinc/01/92/81/1418019281.db2.gz AUMIYOLFRJZBSO-MOPGFXCFSA-N 2 1 345.531 3.321 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001713398923 1418019285 /nfs/dbraw/zinc/01/92/85/1418019285.db2.gz AUMIYOLFRJZBSO-MOPGFXCFSA-N 2 1 345.531 3.321 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001713398923 1418019287 /nfs/dbraw/zinc/01/92/87/1418019287.db2.gz AUMIYOLFRJZBSO-MOPGFXCFSA-N 2 1 345.531 3.321 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)CCNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001713465511 1418128671 /nfs/dbraw/zinc/12/86/71/1418128671.db2.gz VVLRBLMSXFQDJT-QGZVFWFLSA-N 2 1 345.531 3.261 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@H](C)c1ccc2ccccc2c1 ZINC001713474015 1418150922 /nfs/dbraw/zinc/15/09/22/1418150922.db2.gz DPJUIARDHHUZNR-QGZVFWFLSA-N 2 1 341.499 3.291 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)[C@H](C)c1ccc2ccccc2c1 ZINC001713474015 1418150927 /nfs/dbraw/zinc/15/09/27/1418150927.db2.gz DPJUIARDHHUZNR-QGZVFWFLSA-N 2 1 341.499 3.291 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@H](C)c1ccc2ccccc2c1 ZINC001713474015 1418150931 /nfs/dbraw/zinc/15/09/31/1418150931.db2.gz DPJUIARDHHUZNR-QGZVFWFLSA-N 2 1 341.499 3.291 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)Cc1ccccc1 ZINC001713497572 1418210623 /nfs/dbraw/zinc/21/06/23/1418210623.db2.gz RSFVLAPNEUFKOG-FQEVSTJZSA-N 2 1 345.531 3.135 20 0 EGADMP CCCN(C(=O)CC[NH+]1CCCCC1)[C@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001713721928 1418495724 /nfs/dbraw/zinc/49/57/24/1418495724.db2.gz BDPDWNILOATFEB-MHJFOBGBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001713759288 1418565827 /nfs/dbraw/zinc/56/58/27/1418565827.db2.gz JUFDOVROXSXXON-RBUKOAKNSA-N 2 1 345.531 3.178 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001713759288 1418565829 /nfs/dbraw/zinc/56/58/29/1418565829.db2.gz JUFDOVROXSXXON-RBUKOAKNSA-N 2 1 345.531 3.178 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001713759288 1418565832 /nfs/dbraw/zinc/56/58/32/1418565832.db2.gz JUFDOVROXSXXON-RBUKOAKNSA-N 2 1 345.531 3.178 20 0 EGADMP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001713972505 1418751224 /nfs/dbraw/zinc/75/12/24/1418751224.db2.gz ZNOJQQORYPCYSP-RAFMOHDBSA-N 2 1 347.547 3.329 20 0 EGADMP CCCc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)CC[NH+](C)CC)C2)cc1 ZINC001714020791 1418803189 /nfs/dbraw/zinc/80/31/89/1418803189.db2.gz KFDUCYZVGNEDRI-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCCc1ccc(C[NH+]2CC[C@H](N(C)C(=O)CC[N@H+](C)CC)C2)cc1 ZINC001714020791 1418803194 /nfs/dbraw/zinc/80/31/94/1418803194.db2.gz KFDUCYZVGNEDRI-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCCc1ccc(C[NH+]2CC[C@H](N(C)C(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001714020791 1418803196 /nfs/dbraw/zinc/80/31/96/1418803196.db2.gz KFDUCYZVGNEDRI-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001714149653 1418955944 /nfs/dbraw/zinc/95/59/44/1418955944.db2.gz FANOHGYBWSSLMV-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001714155091 1418964649 /nfs/dbraw/zinc/96/46/49/1418964649.db2.gz DAZMPAAQRBWJNI-MOPGFXCFSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1c(C)cc(C)cc1C ZINC001714355629 1419120156 /nfs/dbraw/zinc/12/01/56/1419120156.db2.gz ORLKBVGURWOFSC-LJQANCHMSA-N 2 1 345.531 3.034 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)[C@H](CC)C1 ZINC001733203847 1429309280 /nfs/dbraw/zinc/30/92/80/1429309280.db2.gz YNALQMUHIWAACO-WOJBJXKFSA-N 2 1 345.531 3.054 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001714412266 1419150921 /nfs/dbraw/zinc/15/09/21/1419150921.db2.gz PGPMQNFCVGAYLX-RBUKOAKNSA-N 2 1 337.552 3.316 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001714455685 1419188312 /nfs/dbraw/zinc/18/83/12/1419188312.db2.gz YKGKAISRLSNZCA-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001714455685 1419188313 /nfs/dbraw/zinc/18/83/13/1419188313.db2.gz YKGKAISRLSNZCA-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H](C)c1cccc(F)c1 ZINC001714583433 1419323681 /nfs/dbraw/zinc/32/36/81/1419323681.db2.gz HPGXGYBBCBTHEY-LPHOPBHVSA-N 2 1 349.494 3.198 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@@H](C)c1cccc(F)c1 ZINC001714583433 1419323684 /nfs/dbraw/zinc/32/36/84/1419323684.db2.gz HPGXGYBBCBTHEY-LPHOPBHVSA-N 2 1 349.494 3.198 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@@H](C)c1cccc(F)c1 ZINC001714583433 1419323687 /nfs/dbraw/zinc/32/36/87/1419323687.db2.gz HPGXGYBBCBTHEY-LPHOPBHVSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)(C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001714637850 1419409409 /nfs/dbraw/zinc/40/94/09/1419409409.db2.gz YTIJEKQHYAPXFN-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC001714717716 1419482536 /nfs/dbraw/zinc/48/25/36/1419482536.db2.gz QXVCXHOKLCOXQI-XLIONFOSSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001714829094 1419538875 /nfs/dbraw/zinc/53/88/75/1419538875.db2.gz CMEXBNQPNKOWFW-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001714924956 1419678864 /nfs/dbraw/zinc/67/88/64/1419678864.db2.gz YUVYDJOOORSPMX-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001714924956 1419678867 /nfs/dbraw/zinc/67/88/67/1419678867.db2.gz YUVYDJOOORSPMX-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001714924956 1419678869 /nfs/dbraw/zinc/67/88/69/1419678869.db2.gz YUVYDJOOORSPMX-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001714924956 1419678873 /nfs/dbraw/zinc/67/88/73/1419678873.db2.gz YUVYDJOOORSPMX-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715020858 1419751772 /nfs/dbraw/zinc/75/17/72/1419751772.db2.gz MNNLDULRFAPBNO-PKOBYXMFSA-N 2 1 343.515 3.073 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001715020858 1419751774 /nfs/dbraw/zinc/75/17/74/1419751774.db2.gz MNNLDULRFAPBNO-PKOBYXMFSA-N 2 1 343.515 3.073 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001715020858 1419751776 /nfs/dbraw/zinc/75/17/76/1419751776.db2.gz MNNLDULRFAPBNO-PKOBYXMFSA-N 2 1 343.515 3.073 20 0 EGADMP CN(C(=O)CCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001715029253 1419761428 /nfs/dbraw/zinc/76/14/28/1419761428.db2.gz FVYJQJHJVSOTIS-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001715034087 1419768236 /nfs/dbraw/zinc/76/82/36/1419768236.db2.gz YMMISCQSAVOTEG-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001715034087 1419768239 /nfs/dbraw/zinc/76/82/39/1419768239.db2.gz YMMISCQSAVOTEG-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001715034087 1419768243 /nfs/dbraw/zinc/76/82/43/1419768243.db2.gz YMMISCQSAVOTEG-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@H]1CC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001715048541 1419789930 /nfs/dbraw/zinc/78/99/30/1419789930.db2.gz UQUJZRNLWIKLMX-OALUTQOASA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC001715048541 1419789932 /nfs/dbraw/zinc/78/99/32/1419789932.db2.gz UQUJZRNLWIKLMX-OALUTQOASA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001715048541 1419789933 /nfs/dbraw/zinc/78/99/33/1419789933.db2.gz UQUJZRNLWIKLMX-OALUTQOASA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001715048543 1419789985 /nfs/dbraw/zinc/78/99/85/1419789985.db2.gz UQUJZRNLWIKLMX-RTBURBONSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC001715048543 1419789986 /nfs/dbraw/zinc/78/99/86/1419789986.db2.gz UQUJZRNLWIKLMX-RTBURBONSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001715048543 1419789987 /nfs/dbraw/zinc/78/99/87/1419789987.db2.gz UQUJZRNLWIKLMX-RTBURBONSA-N 2 1 345.531 3.321 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC001715270502 1419986761 /nfs/dbraw/zinc/98/67/61/1419986761.db2.gz FLBPJIUGLAOPGJ-XLIONFOSSA-N 2 1 345.531 3.020 20 0 EGADMP C[N@@H+](CCC1CCN(C(=O)CCC[NH+]2CCCC2)CC1)CC1CCC1 ZINC001715484361 1420164440 /nfs/dbraw/zinc/16/44/40/1420164440.db2.gz HVHSRWFUKBPJFD-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP Cc1ccc(C[NH2+][C@H](CNC(=O)C[N@@H+](C)C2CCC2)C(C)C)cc1C ZINC001715489127 1420170213 /nfs/dbraw/zinc/17/02/13/1420170213.db2.gz DENONPJHUQNCTI-HXUWFJFHSA-N 2 1 345.531 3.018 20 0 EGADMP C[C@H](C[N@@H+](C)CC1CCC(C)(C)CC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001716033033 1420492071 /nfs/dbraw/zinc/49/20/71/1420492071.db2.gz SUMJQHVEPJIBTA-QGZVFWFLSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001717002587 1421072030 /nfs/dbraw/zinc/07/20/30/1421072030.db2.gz WLEZBTCZVRKOEU-IYARVYRRSA-N 2 1 337.552 3.173 20 0 EGADMP CC1CC(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001717207670 1421178633 /nfs/dbraw/zinc/17/86/33/1421178633.db2.gz KPPSEGIIBYEZLE-QLOJAFMTSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CC(C[NH+](C)CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001717207670 1421178634 /nfs/dbraw/zinc/17/86/34/1421178634.db2.gz KPPSEGIIBYEZLE-QLOJAFMTSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CC(C[NH+](C)CCCN(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001717207670 1421178635 /nfs/dbraw/zinc/17/86/35/1421178635.db2.gz KPPSEGIIBYEZLE-QLOJAFMTSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1ccccc1C)[NH+](C)C ZINC001717214324 1421190672 /nfs/dbraw/zinc/19/06/72/1421190672.db2.gz QZIIMZWARGCAFY-PKOBYXMFSA-N 2 1 333.520 3.177 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cccc(CC)c2)C[C@@H]1C ZINC001717826685 1421640545 /nfs/dbraw/zinc/64/05/45/1421640545.db2.gz DOECLAGMIWHMSP-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2c(C)cccc2C)[C@H]1C ZINC001717859647 1421672054 /nfs/dbraw/zinc/67/20/54/1421672054.db2.gz CSRDBDCZWZLLFX-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2c(C)cccc2C)[C@H]1C ZINC001717859647 1421672055 /nfs/dbraw/zinc/67/20/55/1421672055.db2.gz CSRDBDCZWZLLFX-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(C)cccc2C)[C@H]1C ZINC001717859647 1421672056 /nfs/dbraw/zinc/67/20/56/1421672056.db2.gz CSRDBDCZWZLLFX-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+]2CCCCC2)cc1 ZINC001722916672 1424253993 /nfs/dbraw/zinc/25/39/93/1424253993.db2.gz NQSXURFVAMTZBW-LJQANCHMSA-N 2 1 345.531 3.198 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)CC(C)C ZINC001724118687 1424673089 /nfs/dbraw/zinc/67/30/89/1424673089.db2.gz HVJSJLVUHJXEKY-OTWHNJEPSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CC(C)C ZINC001724118687 1424673091 /nfs/dbraw/zinc/67/30/91/1424673091.db2.gz HVJSJLVUHJXEKY-OTWHNJEPSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)CC(C)C ZINC001724118687 1424673093 /nfs/dbraw/zinc/67/30/93/1424673093.db2.gz HVJSJLVUHJXEKY-OTWHNJEPSA-N 2 1 337.552 3.076 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH+](C)[C@H](C)c1ccccc1 ZINC001724859294 1425239826 /nfs/dbraw/zinc/23/98/26/1425239826.db2.gz CIJKBWOLTIOXID-QUCCMNQESA-N 2 1 345.531 3.402 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CCC[N@H+](C)[C@H](C)c1ccccc1 ZINC001724859294 1425239830 /nfs/dbraw/zinc/23/98/30/1425239830.db2.gz CIJKBWOLTIOXID-QUCCMNQESA-N 2 1 345.531 3.402 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CCC[N@@H+](C)[C@H](C)c1ccccc1 ZINC001724859294 1425239832 /nfs/dbraw/zinc/23/98/32/1425239832.db2.gz CIJKBWOLTIOXID-QUCCMNQESA-N 2 1 345.531 3.402 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001724944855 1425329762 /nfs/dbraw/zinc/32/97/62/1425329762.db2.gz HQEYFRJACFRUOH-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001725031138 1425450556 /nfs/dbraw/zinc/45/05/56/1425450556.db2.gz YOXJSULQOMABAP-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2c(C)cccc2C)C[C@H]1C ZINC001725581782 1426237478 /nfs/dbraw/zinc/23/74/78/1426237478.db2.gz BWAWVOMGNBQACX-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CCC[NH+](CCCC2CCCC2)C1)C1CCC1 ZINC001731500927 1427481812 /nfs/dbraw/zinc/48/18/12/1427481812.db2.gz FNFIEHGZPKAJDT-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@H+](CCCC2CCCC2)C1)C1CCC1 ZINC001731500927 1427481814 /nfs/dbraw/zinc/48/18/14/1427481814.db2.gz FNFIEHGZPKAJDT-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1)C1CCC1 ZINC001731500927 1427481818 /nfs/dbraw/zinc/48/18/18/1427481818.db2.gz FNFIEHGZPKAJDT-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001731553650 1427577229 /nfs/dbraw/zinc/57/72/29/1427577229.db2.gz IEJIKEOYWMKIOE-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](NC(=O)C[NH+](C)C1CCC1)[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001731553650 1427577230 /nfs/dbraw/zinc/57/72/30/1427577230.db2.gz IEJIKEOYWMKIOE-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@@H](C)c1cccc(F)c1 ZINC001731812533 1427997292 /nfs/dbraw/zinc/99/72/92/1427997292.db2.gz ACQJJCFJFWASJA-INIZCTEOSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@@H](C)c1cccc(C)c1 ZINC001731873722 1428134614 /nfs/dbraw/zinc/13/46/14/1428134614.db2.gz OQGBELXZGGKRSA-KRWDZBQOSA-N 2 1 342.487 3.089 20 0 EGADMP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@@H](C)c1cccc(C)c1 ZINC001731873722 1428134617 /nfs/dbraw/zinc/13/46/17/1428134617.db2.gz OQGBELXZGGKRSA-KRWDZBQOSA-N 2 1 342.487 3.089 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cccc(CC)c2)[C@H](C)C1 ZINC001733897977 1437715531 /nfs/dbraw/zinc/71/55/31/1437715531.db2.gz BOLMIJDZQQPLOZ-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(CC)c2)[C@H](C)C1 ZINC001733897977 1437715533 /nfs/dbraw/zinc/71/55/33/1437715533.db2.gz BOLMIJDZQQPLOZ-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(CC)c2)[C@H](C)C1 ZINC001733897977 1437715535 /nfs/dbraw/zinc/71/55/35/1437715535.db2.gz BOLMIJDZQQPLOZ-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@@H]2CCC[NH+](CC3CC3)C2)CC1 ZINC001733941819 1437758373 /nfs/dbraw/zinc/75/83/73/1437758373.db2.gz RCFVRWSEJGUOTN-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC001733941819 1437758374 /nfs/dbraw/zinc/75/83/74/1437758374.db2.gz RCFVRWSEJGUOTN-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC001733941819 1437758378 /nfs/dbraw/zinc/75/83/78/1437758378.db2.gz RCFVRWSEJGUOTN-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)c(C)c1 ZINC001734065251 1437860406 /nfs/dbraw/zinc/86/04/06/1437860406.db2.gz IRTXOZYYPOFJPE-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CCC(CC)C[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001734271302 1438000789 /nfs/dbraw/zinc/00/07/89/1438000789.db2.gz SATPXTZZEALVLE-UHFFFAOYSA-N 2 1 348.535 3.366 20 0 EGADMP CCC(CC)C[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001734271302 1438000792 /nfs/dbraw/zinc/00/07/92/1438000792.db2.gz SATPXTZZEALVLE-UHFFFAOYSA-N 2 1 348.535 3.366 20 0 EGADMP CCCC[N@@H+](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001734273608 1438005891 /nfs/dbraw/zinc/00/58/91/1438005891.db2.gz WQSVBQPRKPTDRE-UHFFFAOYSA-N 2 1 331.504 3.085 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001734404658 1438083894 /nfs/dbraw/zinc/08/38/94/1438083894.db2.gz CMHBRIDSKCPXFG-XLIONFOSSA-N 2 1 345.531 3.134 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001734404658 1438083895 /nfs/dbraw/zinc/08/38/95/1438083895.db2.gz CMHBRIDSKCPXFG-XLIONFOSSA-N 2 1 345.531 3.134 20 0 EGADMP Cc1c(C(=O)NCCC[N@H+](C)C[C@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001752009088 1440132287 /nfs/dbraw/zinc/13/22/87/1440132287.db2.gz PFUPRIFIYJTPQR-MRXNPFEDSA-N 2 1 344.503 3.377 20 0 EGADMP CCC(CC)C[NH+]1CCC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001752301723 1440167918 /nfs/dbraw/zinc/16/79/18/1440167918.db2.gz QFKZBFBQZBXRRA-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+]1CCC(N(CCC)C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001752442693 1440181631 /nfs/dbraw/zinc/18/16/31/1440181631.db2.gz ZMHWJFWRVANFJO-NRFANRHFSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001752508332 1440189920 /nfs/dbraw/zinc/18/99/20/1440189920.db2.gz QVXHNUMIZSZJPJ-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001752508332 1440189921 /nfs/dbraw/zinc/18/99/21/1440189921.db2.gz QVXHNUMIZSZJPJ-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001752508332 1440189922 /nfs/dbraw/zinc/18/99/22/1440189922.db2.gz QVXHNUMIZSZJPJ-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H](C[N@H+](C)CCCC2CCC2)C1 ZINC001752525739 1440192922 /nfs/dbraw/zinc/19/29/22/1440192922.db2.gz NWBXYRXACOKFKY-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H](C[N@@H+](C)CCCC2CCC2)C1 ZINC001752525739 1440192923 /nfs/dbraw/zinc/19/29/23/1440192923.db2.gz NWBXYRXACOKFKY-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001752787135 1440211955 /nfs/dbraw/zinc/21/19/55/1440211955.db2.gz HGDYGALJRIVYRZ-QUCCMNQESA-N 2 1 347.547 3.047 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001752787135 1440211956 /nfs/dbraw/zinc/21/19/56/1440211956.db2.gz HGDYGALJRIVYRZ-QUCCMNQESA-N 2 1 347.547 3.047 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001752787135 1440211957 /nfs/dbraw/zinc/21/19/57/1440211957.db2.gz HGDYGALJRIVYRZ-QUCCMNQESA-N 2 1 347.547 3.047 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001752822344 1440221274 /nfs/dbraw/zinc/22/12/74/1440221274.db2.gz FJYNCUFZSPHJOH-KKHYBRAUSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001752823127 1440222089 /nfs/dbraw/zinc/22/20/89/1440222089.db2.gz VZQJWEKZBVMJBB-OALUTQOASA-N 2 1 337.552 3.410 20 0 EGADMP CCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001752823127 1440222090 /nfs/dbraw/zinc/22/20/90/1440222090.db2.gz VZQJWEKZBVMJBB-OALUTQOASA-N 2 1 337.552 3.410 20 0 EGADMP CCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001752823127 1440222091 /nfs/dbraw/zinc/22/20/91/1440222091.db2.gz VZQJWEKZBVMJBB-OALUTQOASA-N 2 1 337.552 3.410 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+]1CC(C)C ZINC001752834448 1440227058 /nfs/dbraw/zinc/22/70/58/1440227058.db2.gz SDHZKQLKLPTTCK-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CC(C)C ZINC001752834448 1440227059 /nfs/dbraw/zinc/22/70/59/1440227059.db2.gz SDHZKQLKLPTTCK-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+]1CC(C)C ZINC001752834448 1440227060 /nfs/dbraw/zinc/22/70/60/1440227060.db2.gz SDHZKQLKLPTTCK-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001752940536 1440250907 /nfs/dbraw/zinc/25/09/07/1440250907.db2.gz PYJALTMILYDCKO-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1cc(C)c(C[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)C2CCC2)c(C)c1 ZINC001753007564 1440266111 /nfs/dbraw/zinc/26/61/11/1440266111.db2.gz SVJBVSGXSPINRB-GOSISDBHSA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC1CCCCC1 ZINC001753055500 1440281268 /nfs/dbraw/zinc/28/12/68/1440281268.db2.gz OXILADMNHODDNE-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCC1CCCCC1 ZINC001753055500 1440281269 /nfs/dbraw/zinc/28/12/69/1440281269.db2.gz OXILADMNHODDNE-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCC1CCCCC1 ZINC001753055500 1440281270 /nfs/dbraw/zinc/28/12/70/1440281270.db2.gz OXILADMNHODDNE-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)CC1CCC2(CC2)CC1 ZINC001753090870 1440298946 /nfs/dbraw/zinc/29/89/46/1440298946.db2.gz BIUHVJJHFSOOJJ-UHFFFAOYSA-N 2 1 349.563 3.127 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)CCC(C)(C)C ZINC001753091253 1440299218 /nfs/dbraw/zinc/29/92/18/1440299218.db2.gz OCVHPNUXQNBAPI-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+]2CCC2CCCCCC2)C1 ZINC001753111323 1440308624 /nfs/dbraw/zinc/30/86/24/1440308624.db2.gz GKWOCSRTTUEYTC-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2CCC2CCCCCC2)C1 ZINC001753111323 1440308625 /nfs/dbraw/zinc/30/86/25/1440308625.db2.gz GKWOCSRTTUEYTC-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+]2CCC2CCCCCC2)C1 ZINC001753111323 1440308626 /nfs/dbraw/zinc/30/86/26/1440308626.db2.gz GKWOCSRTTUEYTC-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1C(C)C ZINC001753115334 1440310752 /nfs/dbraw/zinc/31/07/52/1440310752.db2.gz DJRONCNNQCHGHI-IBGZPJMESA-N 2 1 345.531 3.232 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1C(C)C ZINC001753115334 1440310753 /nfs/dbraw/zinc/31/07/53/1440310753.db2.gz DJRONCNNQCHGHI-IBGZPJMESA-N 2 1 345.531 3.232 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1C(C)C ZINC001753115334 1440310754 /nfs/dbraw/zinc/31/07/54/1440310754.db2.gz DJRONCNNQCHGHI-IBGZPJMESA-N 2 1 345.531 3.232 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@H+](CCC(C)(C)C)C1)c1ccccc1 ZINC001753140632 1440320859 /nfs/dbraw/zinc/32/08/59/1440320859.db2.gz PIMUWOMBCFBASS-HKUYNNGSSA-N 2 1 345.531 3.164 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCC(C)(C)C)C1)c1ccccc1 ZINC001753140632 1440320860 /nfs/dbraw/zinc/32/08/60/1440320860.db2.gz PIMUWOMBCFBASS-HKUYNNGSSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC1CCCCC1)C1CC1 ZINC001753154642 1440330253 /nfs/dbraw/zinc/33/02/53/1440330253.db2.gz KZSKWKQYCMBMIL-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC1CCCCC1)C1CC1 ZINC001753154642 1440330254 /nfs/dbraw/zinc/33/02/54/1440330254.db2.gz KZSKWKQYCMBMIL-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC1CCCCC1)C1CC1 ZINC001753154642 1440330255 /nfs/dbraw/zinc/33/02/55/1440330255.db2.gz KZSKWKQYCMBMIL-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CC1 ZINC001753160813 1440333611 /nfs/dbraw/zinc/33/36/11/1440333611.db2.gz BWKZEOONNJXJPV-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001753160813 1440333609 /nfs/dbraw/zinc/33/36/09/1440333609.db2.gz BWKZEOONNJXJPV-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC1 ZINC001753160813 1440333610 /nfs/dbraw/zinc/33/36/10/1440333610.db2.gz BWKZEOONNJXJPV-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](CCC(C)(C)C)C1CC1 ZINC001753161163 1440333933 /nfs/dbraw/zinc/33/39/33/1440333933.db2.gz OKRQVCAKUDVGTI-SFHVURJKSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](CCC(C)(C)C)C1CC1 ZINC001753161163 1440333934 /nfs/dbraw/zinc/33/39/34/1440333934.db2.gz OKRQVCAKUDVGTI-SFHVURJKSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001753209107 1440338965 /nfs/dbraw/zinc/33/89/65/1440338965.db2.gz ZTSPAHMONSCRPB-QFBILLFUSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)CC1CC(C)C1 ZINC001753287429 1440349064 /nfs/dbraw/zinc/34/90/64/1440349064.db2.gz XBUMFXVQQYPCLX-UHFFFAOYSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)c1cccc(C)c1 ZINC001753308720 1440355992 /nfs/dbraw/zinc/35/59/92/1440355992.db2.gz AZQJAGBCQWZFLU-RLLQIKCJSA-N 2 1 343.515 3.073 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1cccc(C)c1 ZINC001753308720 1440355993 /nfs/dbraw/zinc/35/59/93/1440355993.db2.gz AZQJAGBCQWZFLU-RLLQIKCJSA-N 2 1 343.515 3.073 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1cccc(C)c1 ZINC001753308720 1440355994 /nfs/dbraw/zinc/35/59/94/1440355994.db2.gz AZQJAGBCQWZFLU-RLLQIKCJSA-N 2 1 343.515 3.073 20 0 EGADMP CCCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+](C(C)C)C1 ZINC001753316075 1440359675 /nfs/dbraw/zinc/35/96/75/1440359675.db2.gz KWRXBJOJGAODBY-ICSRJNTNSA-N 2 1 349.563 3.362 20 0 EGADMP CCCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CC[NH+](C(C)C)C1 ZINC001753316075 1440359676 /nfs/dbraw/zinc/35/96/76/1440359676.db2.gz KWRXBJOJGAODBY-ICSRJNTNSA-N 2 1 349.563 3.362 20 0 EGADMP CCCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+](C(C)C)C1 ZINC001753316075 1440359677 /nfs/dbraw/zinc/35/96/77/1440359677.db2.gz KWRXBJOJGAODBY-ICSRJNTNSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001753319369 1440362046 /nfs/dbraw/zinc/36/20/46/1440362046.db2.gz DJEBTEQECFPIND-OALUTQOASA-N 2 1 337.552 3.364 20 0 EGADMP CCCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001753326674 1440367005 /nfs/dbraw/zinc/36/70/05/1440367005.db2.gz HYNIZDAOUSARMZ-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@H](CCNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001753330345 1440369021 /nfs/dbraw/zinc/36/90/21/1440369021.db2.gz NAXOUKKIKAOFKN-SFHVURJKSA-N 2 1 337.552 3.127 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001753359017 1440381553 /nfs/dbraw/zinc/38/15/53/1440381553.db2.gz DPFBFRRSSWWPSU-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001753359017 1440381554 /nfs/dbraw/zinc/38/15/54/1440381554.db2.gz DPFBFRRSSWWPSU-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001753359017 1440381555 /nfs/dbraw/zinc/38/15/55/1440381555.db2.gz DPFBFRRSSWWPSU-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001753399072 1440390742 /nfs/dbraw/zinc/39/07/42/1440390742.db2.gz GTISLZWZKAGMNL-GOSISDBHSA-N 2 1 343.515 3.123 20 0 EGADMP CC(C)CCC[NH+]1CC(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001753405588 1440391920 /nfs/dbraw/zinc/39/19/20/1440391920.db2.gz CIAINOGNDFXBKA-UHFFFAOYSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001753449819 1440405353 /nfs/dbraw/zinc/40/53/53/1440405353.db2.gz KBEHWIAMZDRJDG-SFFCAUCYSA-N 2 1 335.536 3.142 20 0 EGADMP CCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001753461467 1440410840 /nfs/dbraw/zinc/41/08/40/1440410840.db2.gz JMXKDWTUTXQGTD-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001753461467 1440410841 /nfs/dbraw/zinc/41/08/41/1440410841.db2.gz JMXKDWTUTXQGTD-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1ccc(C[NH2+]CC2(NC(=O)C[N@H+](C)C(C)C)CCCC2)cc1C ZINC001753511185 1440425949 /nfs/dbraw/zinc/42/59/49/1440425949.db2.gz BGLSLZQPOJREOR-UHFFFAOYSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC1(C[NH2+]Cc2ccc(CF)cc2)CCCC1 ZINC001753511806 1440426235 /nfs/dbraw/zinc/42/62/35/1440426235.db2.gz MVWRPKMNIUJXSS-UHFFFAOYSA-N 2 1 349.494 3.015 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CCC3CCCC3)C2)CC[N@H+]1C ZINC001753547399 1440434433 /nfs/dbraw/zinc/43/44/33/1440434433.db2.gz BWSOEYNCCRLBJD-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001753591223 1440442818 /nfs/dbraw/zinc/44/28/18/1440442818.db2.gz QHXDWBIEZNCSJO-PXNSSMCTSA-N 2 1 345.531 3.311 20 0 EGADMP CCCCCC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+](C)C1CCC1)CC2 ZINC001753603940 1440447379 /nfs/dbraw/zinc/44/73/79/1440447379.db2.gz SMUXJZFDGJCALN-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCCC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)C1CCC1)CC2 ZINC001753603940 1440447380 /nfs/dbraw/zinc/44/73/80/1440447380.db2.gz SMUXJZFDGJCALN-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP C[C@@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001753694681 1440467199 /nfs/dbraw/zinc/46/71/99/1440467199.db2.gz DTLCDZDEWABOMK-FXAWDEMLSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001753814968 1440493613 /nfs/dbraw/zinc/49/36/13/1440493613.db2.gz HWDFPKLRQDGPOW-ROUUACIJSA-N 2 1 339.568 3.227 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1cccc(C)c1)C(C)C ZINC001753831670 1440499922 /nfs/dbraw/zinc/49/99/22/1440499922.db2.gz YJNZIJOZWXPWMZ-VQTJNVASSA-N 2 1 345.531 3.100 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C(C)C ZINC001753836038 1440501020 /nfs/dbraw/zinc/50/10/20/1440501020.db2.gz WOBUVFVDQBJYFE-MSOLQXFVSA-N 2 1 339.568 3.273 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)Cc1cc2ccccc2s1 ZINC001753867603 1440515577 /nfs/dbraw/zinc/51/55/77/1440515577.db2.gz YDJHYEUNPOGWQD-UHFFFAOYSA-N 2 1 347.528 3.133 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)Cc1cc2ccccc2s1 ZINC001753867603 1440515578 /nfs/dbraw/zinc/51/55/78/1440515578.db2.gz YDJHYEUNPOGWQD-UHFFFAOYSA-N 2 1 347.528 3.133 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)Cc1cc2ccccc2s1 ZINC001753867603 1440515579 /nfs/dbraw/zinc/51/55/79/1440515579.db2.gz YDJHYEUNPOGWQD-UHFFFAOYSA-N 2 1 347.528 3.133 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001753992314 1440529119 /nfs/dbraw/zinc/52/91/19/1440529119.db2.gz DYMDBJVFSQCZKB-PKOBYXMFSA-N 2 1 349.563 3.173 20 0 EGADMP CCN(CC[NH2+]CC1CCC(C)CC1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001754045330 1440535104 /nfs/dbraw/zinc/53/51/04/1440535104.db2.gz MLKMTGSZJRZRQH-CTWPCTMYSA-N 2 1 337.552 3.124 20 0 EGADMP CCN(CC[NH2+]CC1CCC(C)CC1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001754045329 1440535125 /nfs/dbraw/zinc/53/51/25/1440535125.db2.gz MLKMTGSZJRZRQH-ACBHZAAOSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H]([NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001754071277 1440538179 /nfs/dbraw/zinc/53/81/79/1440538179.db2.gz JMXXNTFJZAXUFH-IHPCNDPISA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC/C=C\C[NH2+][C@@H](C)c1ccccc1 ZINC001754178550 1440547785 /nfs/dbraw/zinc/54/77/85/1440547785.db2.gz QERMDKXIGOXIJO-QWPQOLDESA-N 2 1 340.471 3.030 20 0 EGADMP C[C@H](C[N@@H+](C)CCCC(C)(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001754315999 1440575537 /nfs/dbraw/zinc/57/55/37/1440575537.db2.gz LUMOXKCOPZUHQR-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001754324034 1440579520 /nfs/dbraw/zinc/57/95/20/1440579520.db2.gz XRQIPKHTDOTVDM-DNVCBOLYSA-N 2 1 349.494 3.055 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001754350865 1440590795 /nfs/dbraw/zinc/59/07/95/1440590795.db2.gz GQUHIIHAKWEDJL-MSOLQXFVSA-N 2 1 348.535 3.282 20 0 EGADMP CC1CCC(C[NH2+]CCCN(C)C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001754395688 1440594557 /nfs/dbraw/zinc/59/45/57/1440594557.db2.gz LRUUZAGWNLQCAW-UHFFFAOYSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1CC ZINC001754470856 1440605496 /nfs/dbraw/zinc/60/54/96/1440605496.db2.gz RTOQXACDZLVYKN-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001754492430 1440610735 /nfs/dbraw/zinc/61/07/35/1440610735.db2.gz CBNBUNANASYDEC-WMZOPIPTSA-N 2 1 339.483 3.043 20 0 EGADMP CCCCCC[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001754536470 1440624590 /nfs/dbraw/zinc/62/45/90/1440624590.db2.gz VCKWEMDDDQLSSM-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCCC(C)(C)C)C1 ZINC001754553861 1440630779 /nfs/dbraw/zinc/63/07/79/1440630779.db2.gz OUSIDBKWQCVTLR-QRVBRYPASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCCC(C)(C)C)C1 ZINC001754553861 1440630780 /nfs/dbraw/zinc/63/07/80/1440630780.db2.gz OUSIDBKWQCVTLR-QRVBRYPASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCCC(C)(C)C)C1 ZINC001754553861 1440630781 /nfs/dbraw/zinc/63/07/81/1440630781.db2.gz OUSIDBKWQCVTLR-QRVBRYPASA-N 2 1 349.563 3.220 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001754557978 1440632573 /nfs/dbraw/zinc/63/25/73/1440632573.db2.gz USFURCXHUJDGJY-FNEOHHHZSA-N 2 1 347.547 3.142 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001754557978 1440632574 /nfs/dbraw/zinc/63/25/74/1440632574.db2.gz USFURCXHUJDGJY-FNEOHHHZSA-N 2 1 347.547 3.142 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001754557978 1440632575 /nfs/dbraw/zinc/63/25/75/1440632575.db2.gz USFURCXHUJDGJY-FNEOHHHZSA-N 2 1 347.547 3.142 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001754558126 1440632656 /nfs/dbraw/zinc/63/26/56/1440632656.db2.gz XYNJFQOUGCOFRD-HXUWFJFHSA-N 2 1 337.552 3.079 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001754568954 1440636796 /nfs/dbraw/zinc/63/67/96/1440636796.db2.gz IJNGGCBAKZUMQW-YEFOHOTDSA-N 2 1 347.547 3.143 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C1C[NH+](CC[C@H]2CCC[C@H](C)C2)C1 ZINC001754586767 1440639993 /nfs/dbraw/zinc/63/99/93/1440639993.db2.gz ZCQNDPPEACGDFO-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C[C@@H]1C ZINC001754605015 1440643163 /nfs/dbraw/zinc/64/31/63/1440643163.db2.gz VEECKOYJBSEPKI-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCC2CCCCC2)C2CCCC2)C1 ZINC001754656899 1440653826 /nfs/dbraw/zinc/65/38/26/1440653826.db2.gz WRGRFKUJNIJVOO-WOJBJXKFSA-N 2 1 349.563 3.173 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001754681263 1440662542 /nfs/dbraw/zinc/66/25/42/1440662542.db2.gz CXKULUPBYSXQEY-AZUAARDMSA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001754681263 1440662543 /nfs/dbraw/zinc/66/25/43/1440662543.db2.gz CXKULUPBYSXQEY-AZUAARDMSA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001754681572 1440662629 /nfs/dbraw/zinc/66/26/29/1440662629.db2.gz CSSDCYMNXXJAQO-FQEVSTJZSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001754707073 1440669357 /nfs/dbraw/zinc/66/93/57/1440669357.db2.gz JPJKNSGVXJPAFO-AZUAARDMSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001754707076 1440669425 /nfs/dbraw/zinc/66/94/25/1440669425.db2.gz JPJKNSGVXJPAFO-UYAOXDASSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001754822819 1440693203 /nfs/dbraw/zinc/69/32/03/1440693203.db2.gz QDOYNVBBBZKXBG-WMZOPIPTSA-N 2 1 339.568 3.085 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001754867886 1440703637 /nfs/dbraw/zinc/70/36/37/1440703637.db2.gz HKELHKCNUGUGJM-AWTIPJNISA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001754867886 1440703638 /nfs/dbraw/zinc/70/36/38/1440703638.db2.gz HKELHKCNUGUGJM-AWTIPJNISA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001754867886 1440703639 /nfs/dbraw/zinc/70/36/39/1440703639.db2.gz HKELHKCNUGUGJM-AWTIPJNISA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001754980483 1440721193 /nfs/dbraw/zinc/72/11/93/1440721193.db2.gz DWKMERYDXUIEOO-ZWKOTPCHSA-N 2 1 337.552 3.170 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)CC2)c1 ZINC001755027528 1440729554 /nfs/dbraw/zinc/72/95/54/1440729554.db2.gz BHNFHNPYHOVQKN-RBUKOAKNSA-N 2 1 345.531 3.287 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001755045556 1440740478 /nfs/dbraw/zinc/74/04/78/1440740478.db2.gz ZQSDOOJNVDUXHD-IEBWSBKVSA-N 2 1 349.494 3.009 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001755045556 1440740479 /nfs/dbraw/zinc/74/04/79/1440740479.db2.gz ZQSDOOJNVDUXHD-IEBWSBKVSA-N 2 1 349.494 3.009 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001755045556 1440740480 /nfs/dbraw/zinc/74/04/80/1440740480.db2.gz ZQSDOOJNVDUXHD-IEBWSBKVSA-N 2 1 349.494 3.009 20 0 EGADMP CC(C)CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001755045999 1440741161 /nfs/dbraw/zinc/74/11/61/1440741161.db2.gz QEWROTQUOJLPDI-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001755045999 1440741162 /nfs/dbraw/zinc/74/11/62/1440741162.db2.gz QEWROTQUOJLPDI-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001755045999 1440741163 /nfs/dbraw/zinc/74/11/63/1440741163.db2.gz QEWROTQUOJLPDI-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)=CC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001755111555 1440754296 /nfs/dbraw/zinc/75/42/96/1440754296.db2.gz HMHWQMAUEIDAFP-AEFFLSMTSA-N 2 1 335.536 3.042 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001755142691 1440761587 /nfs/dbraw/zinc/76/15/87/1440761587.db2.gz DNIFJEKSAZAUGJ-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001755289384 1440803115 /nfs/dbraw/zinc/80/31/15/1440803115.db2.gz LTXQJZVFPLSYDO-ZWKOTPCHSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CCCC(C)(C)C ZINC001755302113 1440809098 /nfs/dbraw/zinc/80/90/98/1440809098.db2.gz ZHPSHCGNTOITII-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CCCC(C)(C)C ZINC001755302113 1440809099 /nfs/dbraw/zinc/80/90/99/1440809099.db2.gz ZHPSHCGNTOITII-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CCCC(C)(C)C ZINC001755302113 1440809100 /nfs/dbraw/zinc/80/91/00/1440809100.db2.gz ZHPSHCGNTOITII-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[N@@H+](C)CCCC1CCCC1 ZINC001755306353 1440811231 /nfs/dbraw/zinc/81/12/31/1440811231.db2.gz JAWIXUPEJXPRMM-KRWDZBQOSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)(C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCC1)[NH+]1CCCC1 ZINC001755366281 1440834535 /nfs/dbraw/zinc/83/45/35/1440834535.db2.gz OOSZLHBSYSHAPY-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1CCCCC[NH+]1CC)c1ccccc1 ZINC001755367250 1440835090 /nfs/dbraw/zinc/83/50/90/1440835090.db2.gz DLBLLBDPZRRAAS-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H]1CCCCC[NH+]1CC)c1ccccc1 ZINC001755367250 1440835091 /nfs/dbraw/zinc/83/50/91/1440835091.db2.gz DLBLLBDPZRRAAS-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC)c1ccccc1 ZINC001755367250 1440835092 /nfs/dbraw/zinc/83/50/92/1440835092.db2.gz DLBLLBDPZRRAAS-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCCCC[N@H+]1CC)c1ccccc1 ZINC001755367250 1440835093 /nfs/dbraw/zinc/83/50/93/1440835093.db2.gz DLBLLBDPZRRAAS-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CC1)[NH+]1CCCCCC1 ZINC001755367667 1440835730 /nfs/dbraw/zinc/83/57/30/1440835730.db2.gz HTTKOTBHCGKXSR-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001755416452 1440849234 /nfs/dbraw/zinc/84/92/34/1440849234.db2.gz UGBNLOTVSDOIPB-JCMVTEASSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC001755416452 1440849235 /nfs/dbraw/zinc/84/92/35/1440849235.db2.gz UGBNLOTVSDOIPB-JCMVTEASSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC001755416452 1440849236 /nfs/dbraw/zinc/84/92/36/1440849236.db2.gz UGBNLOTVSDOIPB-JCMVTEASSA-N 2 1 349.563 3.434 20 0 EGADMP CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001755563570 1440875166 /nfs/dbraw/zinc/87/51/66/1440875166.db2.gz BLELGNMSNACIEW-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C[C@@H](C2CC2)N(C)C(=O)C[N@H+](C)C(C)C)c1 ZINC001755573750 1440877618 /nfs/dbraw/zinc/87/76/18/1440877618.db2.gz TXYLNZWDQJXICP-PXNSSMCTSA-N 2 1 345.531 3.223 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001755587951 1440880740 /nfs/dbraw/zinc/88/07/40/1440880740.db2.gz NTAVULRMHNXMFH-MJGOQNOKSA-N 2 1 335.536 3.186 20 0 EGADMP C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CCC1=CCCCC1 ZINC001755603838 1440884818 /nfs/dbraw/zinc/88/48/18/1440884818.db2.gz JMNIYIGHVXRLJU-QGZVFWFLSA-N 2 1 337.552 3.291 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCC1CCC1 ZINC001755608000 1440886293 /nfs/dbraw/zinc/88/62/93/1440886293.db2.gz YHRKEAKWGQHDKM-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC2CCCCCC2)C[C@H]1C ZINC001755690869 1440896638 /nfs/dbraw/zinc/89/66/38/1440896638.db2.gz ZALJHDBCOBUOLM-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CCCC(C)C)CC3)CC[N@H+]1C ZINC001755702267 1440900748 /nfs/dbraw/zinc/90/07/48/1440900748.db2.gz PAWSZPLBOYZCMU-JTJHWIPRSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](CCCC(C)C)CC3)CC[NH+]1C ZINC001755702267 1440900749 /nfs/dbraw/zinc/90/07/49/1440900749.db2.gz PAWSZPLBOYZCMU-JTJHWIPRSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCCC(C)C)CC3)CC[NH+]1C ZINC001755702267 1440900750 /nfs/dbraw/zinc/90/07/50/1440900750.db2.gz PAWSZPLBOYZCMU-JTJHWIPRSA-N 2 1 349.563 3.266 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001755724492 1440908881 /nfs/dbraw/zinc/90/88/81/1440908881.db2.gz VXRRLKPDJQVLFY-WLMAVBAVSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001755817063 1440924022 /nfs/dbraw/zinc/92/40/22/1440924022.db2.gz BKQUDKDFFBZVHL-MOPGFXCFSA-N 2 1 337.552 3.242 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH2+][C@H]1CCc2ccccc21)C(C)(C)C ZINC001755836363 1440930323 /nfs/dbraw/zinc/93/03/23/1440930323.db2.gz SDAUCSAROSXJMF-RBUKOAKNSA-N 2 1 345.531 3.136 20 0 EGADMP CC(C)Oc1cc[nH+]c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164722933 720394683 /nfs/dbraw/zinc/39/46/83/720394683.db2.gz DUQPEDVYTXJGFF-OALUTQOASA-N 2 1 338.455 3.117 20 0 EGADMP CC(C)Oc1cc[nH+]c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164722933 720394689 /nfs/dbraw/zinc/39/46/89/720394689.db2.gz DUQPEDVYTXJGFF-OALUTQOASA-N 2 1 338.455 3.117 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368532423 168369114 /nfs/dbraw/zinc/36/91/14/168369114.db2.gz YQMRQKGGKAWUAM-RXVVDRJESA-N 2 1 345.531 3.135 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347141308 282240090 /nfs/dbraw/zinc/24/00/90/282240090.db2.gz WEFBDNZJBLNQAK-ZFWWWQNUSA-N 2 1 332.879 3.393 20 0 EGADMP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000178118896 232088647 /nfs/dbraw/zinc/08/86/47/232088647.db2.gz OMMCEXLJJLNFGR-QGZVFWFLSA-N 2 1 329.488 3.341 20 0 EGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000180987155 234052127 /nfs/dbraw/zinc/05/21/27/234052127.db2.gz MNEXMRPCBJPBEU-FQEVSTJZSA-N 2 1 349.478 3.414 20 0 EGADMP COc1ccc(C[NH2+]CCC[NH+](C)C)cc1OCc1ccccc1 ZINC000072658991 216288929 /nfs/dbraw/zinc/28/89/29/216288929.db2.gz AVKLIJDOSQCGCB-UHFFFAOYSA-N 2 1 328.456 3.316 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000072858499 216319716 /nfs/dbraw/zinc/31/97/16/216319716.db2.gz AECFNYQZJQQSMN-HNNXBMFYSA-N 2 1 330.394 3.401 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000072858499 216319718 /nfs/dbraw/zinc/31/97/18/216319718.db2.gz AECFNYQZJQQSMN-HNNXBMFYSA-N 2 1 330.394 3.401 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000072858499 216319722 /nfs/dbraw/zinc/31/97/22/216319722.db2.gz AECFNYQZJQQSMN-HNNXBMFYSA-N 2 1 330.394 3.401 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000072858499 216319724 /nfs/dbraw/zinc/31/97/24/216319724.db2.gz AECFNYQZJQQSMN-HNNXBMFYSA-N 2 1 330.394 3.401 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)c1 ZINC000236828229 242373716 /nfs/dbraw/zinc/37/37/16/242373716.db2.gz WEFQMSOKSPHBCS-MRXNPFEDSA-N 2 1 328.460 3.367 20 0 EGADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000361502517 296122655 /nfs/dbraw/zinc/12/26/55/296122655.db2.gz XQBTWZSTDXNJFC-ICSRJNTNSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[C@@](C)([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262697852 245127394 /nfs/dbraw/zinc/12/73/94/245127394.db2.gz FOLMZEKKPGVTOO-OXJNMPFZSA-N 2 1 331.504 3.052 20 0 EGADMP CC[N@@H+](CC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)C1CC1 ZINC000120095246 284399585 /nfs/dbraw/zinc/39/95/85/284399585.db2.gz SGWHUHQAPWCJBC-QGZVFWFLSA-N 2 1 349.544 3.122 20 0 EGADMP Cc1cc([C@](C)(O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(C)o1 ZINC000266128234 248116568 /nfs/dbraw/zinc/11/65/68/248116568.db2.gz CBRWLXMSPRMQBY-OAQYLSRUSA-N 2 1 342.483 3.358 20 0 EGADMP Cc1ccccc1[C@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000266459042 248311108 /nfs/dbraw/zinc/31/11/08/248311108.db2.gz PRQWLFGABSCQCA-JOCHJYFZSA-N 2 1 338.495 3.325 20 0 EGADMP C[C@H](O)c1ncc(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)s1 ZINC000377540471 169038199 /nfs/dbraw/zinc/03/81/99/169038199.db2.gz JRCCXTLKKXAGBJ-JYJNAYRXSA-N 2 1 337.533 3.283 20 0 EGADMP C[N@@H+](CC(C)(C)c1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626831 169050674 /nfs/dbraw/zinc/05/06/74/169050674.db2.gz MXYWXGYSHISTAS-HXUWFJFHSA-N 2 1 329.532 3.065 20 0 EGADMP C[N@H+]1CCC[C@@H](N2CCN(Cc3cnc(C4CCCC4)s3)CC2)C1 ZINC000378351568 169105550 /nfs/dbraw/zinc/10/55/50/169105550.db2.gz AHKRGBPZONIYBJ-QGZVFWFLSA-N 2 1 348.560 3.013 20 0 EGADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cc4ccccc4s3)CC2)C1 ZINC000378357722 169107393 /nfs/dbraw/zinc/10/73/93/169107393.db2.gz WQMOBBGXRRDHQF-QGZVFWFLSA-N 2 1 329.513 3.113 20 0 EGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cc4ccccc4s3)CC2)C1 ZINC000378357722 169107394 /nfs/dbraw/zinc/10/73/94/169107394.db2.gz WQMOBBGXRRDHQF-QGZVFWFLSA-N 2 1 329.513 3.113 20 0 EGADMP Fc1ccc(C2=CC[C@H]([NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC000378527641 169136015 /nfs/dbraw/zinc/13/60/15/169136015.db2.gz DSHNEKXLBFICCP-XUVXKRRUSA-N 2 1 330.447 3.214 20 0 EGADMP Fc1ccc(C2=CC[C@H]([NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC000378527641 169136016 /nfs/dbraw/zinc/13/60/16/169136016.db2.gz DSHNEKXLBFICCP-XUVXKRRUSA-N 2 1 330.447 3.214 20 0 EGADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000268848523 252296292 /nfs/dbraw/zinc/29/62/92/252296292.db2.gz FKHKVVWWRFYXBV-ZWKOTPCHSA-N 2 1 346.515 3.422 20 0 EGADMP COc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)ccc1OC(F)F ZINC000268833366 252281965 /nfs/dbraw/zinc/28/19/65/252281965.db2.gz SVYUTAGPTWYVPW-LLVKDONJSA-N 2 1 325.359 3.152 20 0 EGADMP COc1ccc([C@H]2CCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000191408217 533203111 /nfs/dbraw/zinc/20/31/11/533203111.db2.gz NELZKAOEDNLODX-OAQYLSRUSA-N 2 1 345.531 3.248 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCO[C@@H](C4CC4)C3)CC2)cc1 ZINC000155151226 224367234 /nfs/dbraw/zinc/36/72/34/224367234.db2.gz QBWCHBICJNBJDP-NHCUHLMSSA-N 2 1 346.490 3.380 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)nc1 ZINC000181416482 533340122 /nfs/dbraw/zinc/34/01/22/533340122.db2.gz QBUBLUATBYPRRX-COXVUDFISA-N 2 1 337.895 3.154 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@H]1CCOC1 ZINC000164494393 533460530 /nfs/dbraw/zinc/46/05/30/533460530.db2.gz SOGUKHRWHSKDFA-VQIMIIECSA-N 2 1 328.456 3.426 20 0 EGADMP C[N@@H+](Cc1cccc2ccccc21)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801420 549334146 /nfs/dbraw/zinc/33/41/46/549334146.db2.gz PQCMVNLMGNBVTB-NRFANRHFSA-N 2 1 337.511 3.440 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000338100446 141094247 /nfs/dbraw/zinc/09/42/47/141094247.db2.gz NNWOXSGVTCHCJG-VQTJNVASSA-N 2 1 343.515 3.275 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000338100446 141094250 /nfs/dbraw/zinc/09/42/50/141094250.db2.gz NNWOXSGVTCHCJG-VQTJNVASSA-N 2 1 343.515 3.275 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000338100446 141094252 /nfs/dbraw/zinc/09/42/52/141094252.db2.gz NNWOXSGVTCHCJG-VQTJNVASSA-N 2 1 343.515 3.275 20 0 EGADMP O[C@@]1(CNCc2cccc(Cl)c2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000344513256 141166977 /nfs/dbraw/zinc/16/69/77/141166977.db2.gz LFACJQFXNPQGNT-LJQANCHMSA-N 2 1 348.849 3.206 20 0 EGADMP C[N@@H+](C[C@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000348056407 141236392 /nfs/dbraw/zinc/23/63/92/141236392.db2.gz RDWQQRCIOLGTGA-WIYYLYMNSA-N 2 1 326.484 3.017 20 0 EGADMP C[NH+](C[C@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000348056407 141236394 /nfs/dbraw/zinc/23/63/94/141236394.db2.gz RDWQQRCIOLGTGA-WIYYLYMNSA-N 2 1 326.484 3.017 20 0 EGADMP C[NH+](C[C@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000348056407 141236397 /nfs/dbraw/zinc/23/63/97/141236397.db2.gz RDWQQRCIOLGTGA-WIYYLYMNSA-N 2 1 326.484 3.017 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000185212576 144107738 /nfs/dbraw/zinc/10/77/38/144107738.db2.gz PRJDACDVZROLNX-UHFFFAOYSA-N 2 1 341.242 3.018 20 0 EGADMP COc1cccc([C@H](CNc2cc(C)[nH+]c(C)n2)[NH+]2CCCC2)c1 ZINC000192682320 144177601 /nfs/dbraw/zinc/17/76/01/144177601.db2.gz QQZZTWLTEGCZDJ-SFHVURJKSA-N 2 1 326.444 3.351 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C[C@@H]12 ZINC000351477551 144266406 /nfs/dbraw/zinc/26/64/06/144266406.db2.gz NQUAIGSTNIRLEF-DFQSSKMNSA-N 2 1 349.478 3.351 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000351847581 144315761 /nfs/dbraw/zinc/31/57/61/144315761.db2.gz ANJDENXNCQPZDI-YXJHDRRASA-N 2 1 349.494 3.088 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000351847581 144315762 /nfs/dbraw/zinc/31/57/62/144315762.db2.gz ANJDENXNCQPZDI-YXJHDRRASA-N 2 1 349.494 3.088 20 0 EGADMP CN(CC[N@@H+](C)Cc1csc2ccccc12)C1CC[NH+](C)CC1 ZINC000341151344 155193382 /nfs/dbraw/zinc/19/33/82/155193382.db2.gz YMSXOPLLSUTUOO-UHFFFAOYSA-N 2 1 331.529 3.359 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C2CCSCC2)[C@@H](C)C1 ZINC000250079204 286064320 /nfs/dbraw/zinc/06/43/20/286064320.db2.gz OXNASVFSKLZPHF-JZXOWHBKSA-N 2 1 328.566 3.245 20 0 EGADMP Cc1ccccc1C[N@H+](CCCN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000337319775 154281083 /nfs/dbraw/zinc/28/10/83/154281083.db2.gz AKYKLOLEKWGTMP-UHFFFAOYSA-N 2 1 329.532 3.376 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000337417148 154343916 /nfs/dbraw/zinc/34/39/16/154343916.db2.gz ZXANXKQNPASNBX-ZBFHGGJFSA-N 2 1 345.487 3.374 20 0 EGADMP CCc1oc2ccccc2c1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000349038587 156327995 /nfs/dbraw/zinc/32/79/95/156327995.db2.gz VRRRUOKMFCXEON-UHFFFAOYSA-N 2 1 343.515 3.453 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1sccc1Cl ZINC000349071707 156343067 /nfs/dbraw/zinc/34/30/67/156343067.db2.gz GYCJLBXHDHRPKU-AWEZNQCLSA-N 2 1 329.941 3.249 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000349147933 156366448 /nfs/dbraw/zinc/36/64/48/156366448.db2.gz ZYOHPBKCFCWCQO-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000349147933 156366454 /nfs/dbraw/zinc/36/64/54/156366454.db2.gz ZYOHPBKCFCWCQO-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000349147933 156366457 /nfs/dbraw/zinc/36/64/57/156366457.db2.gz ZYOHPBKCFCWCQO-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@@H+](Cc1ccc(F)c(Cl)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372735167 157373496 /nfs/dbraw/zinc/37/34/96/157373496.db2.gz FDILMVYXDSICBT-INIZCTEOSA-N 2 1 339.886 3.079 20 0 EGADMP CCC[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000093508765 162012279 /nfs/dbraw/zinc/01/22/79/162012279.db2.gz HDHIRNSPANOHBO-HXUWFJFHSA-N 2 1 345.531 3.218 20 0 EGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000093508765 162012281 /nfs/dbraw/zinc/01/22/81/162012281.db2.gz HDHIRNSPANOHBO-HXUWFJFHSA-N 2 1 345.531 3.218 20 0 EGADMP CC1(C)CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000112701571 162185842 /nfs/dbraw/zinc/18/58/42/162185842.db2.gz UIFWTQOPIZPZOA-UHFFFAOYSA-N 2 1 343.515 3.021 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125475484 162274572 /nfs/dbraw/zinc/27/45/72/162274572.db2.gz QDRQKNVYKAIGNZ-GJYPPUQNSA-N 3 1 335.561 3.278 20 0 EGADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125475484 162274575 /nfs/dbraw/zinc/27/45/75/162274575.db2.gz QDRQKNVYKAIGNZ-GJYPPUQNSA-N 2 1 335.561 3.278 20 0 EGADMP Cc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)c(-c2ccnn2C)c1 ZINC000338947660 163398929 /nfs/dbraw/zinc/39/89/29/163398929.db2.gz JWNDLLWIBSEYPV-UHFFFAOYSA-N 2 1 326.488 3.358 20 0 EGADMP CC(C)[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[NH+]1CCCCC1 ZINC000354708374 166015594 /nfs/dbraw/zinc/01/55/94/166015594.db2.gz PFFIXTKICBNLQK-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC000343698557 164015023 /nfs/dbraw/zinc/01/50/23/164015023.db2.gz AZVJBVJDBSRASM-MRXNPFEDSA-N 2 1 340.895 3.281 20 0 EGADMP CC(C)c1ncc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000343816984 164041933 /nfs/dbraw/zinc/04/19/33/164041933.db2.gz UOSSGFBQEJELRN-GASCZTMLSA-N 2 1 325.522 3.246 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1(C)C ZINC000344001567 164080298 /nfs/dbraw/zinc/08/02/98/164080298.db2.gz ARXCDIPFODHUQL-FFZOFVMBSA-N 2 1 346.515 3.201 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1(C)C ZINC000344001567 164080299 /nfs/dbraw/zinc/08/02/99/164080299.db2.gz ARXCDIPFODHUQL-FFZOFVMBSA-N 2 1 346.515 3.201 20 0 EGADMP CC(C)[N@H+]1CCc2nc(CNC3CC[NH+](C4CCC4)CC3)sc2C1 ZINC000344118714 164107490 /nfs/dbraw/zinc/10/74/90/164107490.db2.gz CLMLHQUDUFLMEE-UHFFFAOYSA-N 2 1 348.560 3.016 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000344600951 164196979 /nfs/dbraw/zinc/19/69/79/164196979.db2.gz JCZOOXLMYUZFIE-FUHWJXTLSA-N 2 1 331.504 3.106 20 0 EGADMP C[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000345663186 164237377 /nfs/dbraw/zinc/23/73/77/164237377.db2.gz YUTAPCKOFPJQDN-XWTMOSNGSA-N 2 1 345.531 3.493 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCCOC(C)(C)C)CC2)C[C@H](C)O1 ZINC000354898311 166058142 /nfs/dbraw/zinc/05/81/42/166058142.db2.gz SNZIROQAKBMBLC-HDICACEKSA-N 2 1 340.552 3.403 20 0 EGADMP COC(=O)C1(c2ccccc2)CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351646109 165113550 /nfs/dbraw/zinc/11/35/50/165113550.db2.gz OVZRPBIMCALEMG-IBGZPJMESA-N 2 1 344.499 3.068 20 0 EGADMP COC(=O)C1(c2ccccc2)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351646109 165113552 /nfs/dbraw/zinc/11/35/52/165113552.db2.gz OVZRPBIMCALEMG-IBGZPJMESA-N 2 1 344.499 3.068 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000355210313 166134666 /nfs/dbraw/zinc/13/46/66/166134666.db2.gz BJDMMGWZQISBCT-LEAZDLGRSA-N 2 1 344.499 3.076 20 0 EGADMP C[S@](=O)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000355228334 166141209 /nfs/dbraw/zinc/14/12/09/166141209.db2.gz UZXHICUBYJLTIH-CYFREDJKSA-N 2 1 342.508 3.036 20 0 EGADMP CC[N@H+]1CCC[C@@H](CNCc2cccc(Br)c2OC)C1 ZINC000359015126 167037287 /nfs/dbraw/zinc/03/72/87/167037287.db2.gz BXBIYLKFCJISCM-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Br)c2OC)C1 ZINC000359015126 167037289 /nfs/dbraw/zinc/03/72/89/167037289.db2.gz BXBIYLKFCJISCM-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Br)c2OC)C1 ZINC000359015126 167037291 /nfs/dbraw/zinc/03/72/91/167037291.db2.gz BXBIYLKFCJISCM-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP COc1cccc(C[N@@H+](CCC2CC[NH2+]CC2)C[C@@H]2CCCO2)c1 ZINC000359223950 167100142 /nfs/dbraw/zinc/10/01/42/167100142.db2.gz RKAJEKGCLXULIA-FQEVSTJZSA-N 2 1 332.488 3.066 20 0 EGADMP C[C@@H](NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000359279665 167114172 /nfs/dbraw/zinc/11/41/72/167114172.db2.gz PFFGYBUSXXJPGW-CJNGLKHVSA-N 2 1 339.911 3.035 20 0 EGADMP [NH3+]CCC[N@H+](Cc1c[nH]nc1-c1cccs1)Cc1ccccc1 ZINC000359462520 167163363 /nfs/dbraw/zinc/16/33/63/167163363.db2.gz WRFTVWFYFQUGMV-UHFFFAOYSA-N 2 1 326.469 3.489 20 0 EGADMP [NH3+]CCC[N@@H+](Cc1c[nH]nc1-c1cccs1)Cc1ccccc1 ZINC000359462520 167163365 /nfs/dbraw/zinc/16/33/65/167163365.db2.gz WRFTVWFYFQUGMV-UHFFFAOYSA-N 2 1 326.469 3.489 20 0 EGADMP CCOC(=O)c1c[nH+]ccc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000359520898 167178111 /nfs/dbraw/zinc/17/81/11/167178111.db2.gz ZZXZJDZBMPYQAU-IAGOWNOFSA-N 2 1 345.487 3.349 20 0 EGADMP CCOC(=O)c1c[nH+]ccc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000359520898 167178112 /nfs/dbraw/zinc/17/81/12/167178112.db2.gz ZZXZJDZBMPYQAU-IAGOWNOFSA-N 2 1 345.487 3.349 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2COC)[C@@H](C)C1 ZINC000359673609 167208044 /nfs/dbraw/zinc/20/80/44/167208044.db2.gz JCQXYUSZCBJAPZ-FXAWDEMLSA-N 2 1 334.504 3.060 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)C[C@H]1C ZINC000359867339 167253040 /nfs/dbraw/zinc/25/30/40/167253040.db2.gz BWKMXYFQXITTLV-AEFFLSMTSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)C[C@H]1C ZINC000359867339 167253043 /nfs/dbraw/zinc/25/30/43/167253043.db2.gz BWKMXYFQXITTLV-AEFFLSMTSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)C[C@H]1C ZINC000359867339 167253045 /nfs/dbraw/zinc/25/30/45/167253045.db2.gz BWKMXYFQXITTLV-AEFFLSMTSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](CC)CC ZINC000359890706 167259749 /nfs/dbraw/zinc/25/97/49/167259749.db2.gz VUQAOOFWSFIOJB-MISYRCLQSA-N 2 1 345.531 3.134 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000360629417 167374432 /nfs/dbraw/zinc/37/44/32/167374432.db2.gz MRZYPUHCRKDRPH-IBGZPJMESA-N 2 1 334.479 3.070 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(Cl)c1 ZINC000365732872 168040116 /nfs/dbraw/zinc/04/01/16/168040116.db2.gz FNMJEPFRWSTAIP-GOSISDBHSA-N 2 1 335.923 3.249 20 0 EGADMP C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366867988 168150242 /nfs/dbraw/zinc/15/02/42/168150242.db2.gz XEWSGQGNADPIAJ-MRXNPFEDSA-N 2 1 346.523 3.047 20 0 EGADMP C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366867988 168150244 /nfs/dbraw/zinc/15/02/44/168150244.db2.gz XEWSGQGNADPIAJ-MRXNPFEDSA-N 2 1 346.523 3.047 20 0 EGADMP OC[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000367576745 168244444 /nfs/dbraw/zinc/24/44/44/168244444.db2.gz AKOPTNBGCYVMRF-RBUKOAKNSA-N 2 1 348.506 3.221 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2COc3ccccc3[C@H]2O)cc1 ZINC000367997176 168294140 /nfs/dbraw/zinc/29/41/40/168294140.db2.gz KTLCGWIPUHFUMN-UQIDSAAFSA-N 2 1 349.434 3.326 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000164689965 226093868 /nfs/dbraw/zinc/09/38/68/226093868.db2.gz NIONCJYBBGHBLB-INIZCTEOSA-N 2 1 340.471 3.449 20 0 EGADMP CC1(C)[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C[C@@H]1c1ccccc1 ZINC000123221606 222238496 /nfs/dbraw/zinc/23/84/96/222238496.db2.gz WUSCASLFSLCYSL-VAMGGRTRSA-N 2 1 330.516 3.395 20 0 EGADMP CC[N@H+](CCCCn1cc[nH+]c1C)C[C@@H]1COc2ccccc2O1 ZINC000179039576 265357914 /nfs/dbraw/zinc/35/79/14/265357914.db2.gz BMBCGZXULLQJCJ-QGZVFWFLSA-N 2 1 329.444 3.134 20 0 EGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)C[C@@H]1COc2ccccc2O1 ZINC000179039576 265357915 /nfs/dbraw/zinc/35/79/15/265357915.db2.gz BMBCGZXULLQJCJ-QGZVFWFLSA-N 2 1 329.444 3.134 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000237471665 266234906 /nfs/dbraw/zinc/23/49/06/266234906.db2.gz GRSRWPMGTZJAKP-QGZVFWFLSA-N 2 1 343.515 3.054 20 0 EGADMP C[NH+](CCCC[N@H+](C)CCc1nccs1)CCc1nccs1 ZINC000269838976 266367624 /nfs/dbraw/zinc/36/76/24/266367624.db2.gz HRFBFSNVWHBJLP-UHFFFAOYSA-N 2 1 338.546 3.029 20 0 EGADMP CCOc1cccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000271242116 266627858 /nfs/dbraw/zinc/62/78/58/266627858.db2.gz YXEYURBSSAIZSB-UHFFFAOYSA-N 2 1 345.531 3.076 20 0 EGADMP CC(C)(CCO)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272657002 266890940 /nfs/dbraw/zinc/89/09/40/266890940.db2.gz GWYZKKJMHQPLKI-VAMGGRTRSA-N 2 1 330.516 3.285 20 0 EGADMP CC(C)[C@H](O)C1(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274744090 267279882 /nfs/dbraw/zinc/27/98/82/267279882.db2.gz FXGVAQSKDGBSBH-RLLQIKCJSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278376459 268000081 /nfs/dbraw/zinc/00/00/81/268000081.db2.gz DWDSVMAGISSTHW-RXVVDRJESA-N 3 1 341.543 3.361 20 0 EGADMP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000278376459 268000083 /nfs/dbraw/zinc/00/00/83/268000083.db2.gz DWDSVMAGISSTHW-RXVVDRJESA-N 2 1 341.543 3.361 20 0 EGADMP COc1ccc(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1O ZINC000245552562 275232565 /nfs/dbraw/zinc/23/25/65/275232565.db2.gz DBAOVMWBWKTHDH-AEFFLSMTSA-N 2 1 332.488 3.487 20 0 EGADMP Brc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278974388 275292595 /nfs/dbraw/zinc/29/25/95/275292595.db2.gz NZEPRYJSXXNBFM-BLLLJJGKSA-N 2 1 346.272 3.485 20 0 EGADMP Brc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278974393 275292637 /nfs/dbraw/zinc/29/26/37/275292637.db2.gz NZEPRYJSXXNBFM-LRDDRELGSA-N 2 1 346.272 3.485 20 0 EGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000280786121 275495565 /nfs/dbraw/zinc/49/55/65/275495565.db2.gz HEWSRJLABYRMTN-CQSZACIVSA-N 2 1 344.421 3.337 20 0 EGADMP COc1ccccc1O[C@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000286502297 276009042 /nfs/dbraw/zinc/00/90/42/276009042.db2.gz PTXOLKUQPHLGEC-ROUUACIJSA-N 2 1 332.488 3.413 20 0 EGADMP COc1ccccc1O[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000286502297 276009045 /nfs/dbraw/zinc/00/90/45/276009045.db2.gz PTXOLKUQPHLGEC-ROUUACIJSA-N 2 1 332.488 3.413 20 0 EGADMP COc1ccccc1O[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000286502297 276009046 /nfs/dbraw/zinc/00/90/46/276009046.db2.gz PTXOLKUQPHLGEC-ROUUACIJSA-N 2 1 332.488 3.413 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287287921 276104735 /nfs/dbraw/zinc/10/47/35/276104735.db2.gz BVAJYEALCJGTKY-MSOLQXFVSA-N 2 1 341.503 3.286 20 0 EGADMP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)o1 ZINC000288609979 276234172 /nfs/dbraw/zinc/23/41/72/276234172.db2.gz QNRUUPQNGHYXST-YJBOKZPZSA-N 2 1 343.471 3.418 20 0 EGADMP CCN(C(=O)[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000358683071 276300394 /nfs/dbraw/zinc/30/03/94/276300394.db2.gz CUXRDNGOCCSQFU-HNBVOPMISA-N 2 1 343.515 3.059 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(OC)CCC(C)CC2)[C@H](C)C1 ZINC000359024423 276315140 /nfs/dbraw/zinc/31/51/40/276315140.db2.gz DPRVBSFKAYVSAL-WBFXSEPVSA-N 2 1 340.552 3.308 20 0 EGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000289367404 276328643 /nfs/dbraw/zinc/32/86/43/276328643.db2.gz ZXCNIJQVQHKMGL-MSOLQXFVSA-N 2 1 347.503 3.360 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000289367404 276328645 /nfs/dbraw/zinc/32/86/45/276328645.db2.gz ZXCNIJQVQHKMGL-MSOLQXFVSA-N 2 1 347.503 3.360 20 0 EGADMP COCCOCc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000289531049 276353736 /nfs/dbraw/zinc/35/37/36/276353736.db2.gz BURQJVIUKRAXEI-UHFFFAOYSA-N 2 1 334.504 3.202 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2[C@@H](C)C[NH+](CC)C[C@@H]2C)cc1)C1CC1 ZINC000344410830 276353760 /nfs/dbraw/zinc/35/37/60/276353760.db2.gz BYHFETCCWMKGGR-IRXDYDNUSA-N 2 1 343.515 3.226 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000289685769 276378228 /nfs/dbraw/zinc/37/82/28/276378228.db2.gz ZQCVHJPQEKPVCL-SJORKVTESA-N 2 1 342.405 3.201 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000289685769 276378229 /nfs/dbraw/zinc/37/82/29/276378229.db2.gz ZQCVHJPQEKPVCL-SJORKVTESA-N 2 1 342.405 3.201 20 0 EGADMP COc1cncc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000289784694 276393902 /nfs/dbraw/zinc/39/39/02/276393902.db2.gz JGIKYJXXCFCKGS-IAGOWNOFSA-N 2 1 339.483 3.336 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)[C@@H]1C ZINC000354635464 277066022 /nfs/dbraw/zinc/06/60/22/277066022.db2.gz RDRIPLHCTFAFBD-ILYVXUQDSA-N 2 1 336.520 3.207 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])[C@@H]1c1cccs1 ZINC000263116688 277073703 /nfs/dbraw/zinc/07/37/03/277073703.db2.gz AQEILAWQQXDDJM-LORHWOILSA-N 2 1 349.544 3.155 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(F)cc(F)c1 ZINC000182271948 278358599 /nfs/dbraw/zinc/35/85/99/278358599.db2.gz DQDLRPHKEMAFQD-VLIAUNLRSA-N 2 1 346.421 3.382 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CCC2(CCC[N@H+]2C)CC1)c1ccccc1 ZINC000368727415 279153349 /nfs/dbraw/zinc/15/33/49/279153349.db2.gz JDFHDTHZRPOQNW-IBGZPJMESA-N 2 1 343.515 3.156 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000173310447 279274577 /nfs/dbraw/zinc/27/45/77/279274577.db2.gz OEBYHQHPBRFXEN-OAHLLOKOSA-N 2 1 343.471 3.099 20 0 EGADMP CC(C)[NH2+]C1CC[NH+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000067399430 307365779 /nfs/dbraw/zinc/36/57/79/307365779.db2.gz HNOMNSVZQKVBQF-MRXNPFEDSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000081283552 307438544 /nfs/dbraw/zinc/43/85/44/307438544.db2.gz NBPBVRBUSNKXOE-APWZRJJASA-N 2 1 334.508 3.023 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414115672 309061868 /nfs/dbraw/zinc/06/18/68/309061868.db2.gz NILASRACOXCXMX-JKSUJKDBSA-N 2 1 344.528 3.097 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000414170092 309064433 /nfs/dbraw/zinc/06/44/33/309064433.db2.gz BPNJSEODLUSDCB-SJORKVTESA-N 2 1 329.488 3.196 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000414176110 309064887 /nfs/dbraw/zinc/06/48/87/309064887.db2.gz HZJFPYKDSNLTKL-HIFRSBDPSA-N 2 1 325.522 3.023 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H](O)C(C)C ZINC000414296026 309071176 /nfs/dbraw/zinc/07/11/76/309071176.db2.gz OBMOYDQNPARQQL-VQTJNVASSA-N 2 1 336.495 3.218 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000414317278 309072557 /nfs/dbraw/zinc/07/25/57/309072557.db2.gz VROJVQKBBGXIEM-ROUUACIJSA-N 2 1 328.435 3.036 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000414317278 309072558 /nfs/dbraw/zinc/07/25/58/309072558.db2.gz VROJVQKBBGXIEM-ROUUACIJSA-N 2 1 328.435 3.036 20 0 EGADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)C1 ZINC000248413722 308002590 /nfs/dbraw/zinc/00/25/90/308002590.db2.gz LODQXZZRJBYSAF-FYKMYLNBSA-N 2 1 341.543 3.215 20 0 EGADMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000248413722 308002591 /nfs/dbraw/zinc/00/25/91/308002591.db2.gz LODQXZZRJBYSAF-FYKMYLNBSA-N 2 1 341.543 3.215 20 0 EGADMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000248413722 308002592 /nfs/dbraw/zinc/00/25/92/308002592.db2.gz LODQXZZRJBYSAF-FYKMYLNBSA-N 2 1 341.543 3.215 20 0 EGADMP CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000248413722 308002594 /nfs/dbraw/zinc/00/25/94/308002594.db2.gz LODQXZZRJBYSAF-FYKMYLNBSA-N 2 1 341.543 3.215 20 0 EGADMP CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000248413722 308002595 /nfs/dbraw/zinc/00/25/95/308002595.db2.gz LODQXZZRJBYSAF-FYKMYLNBSA-N 2 1 341.543 3.215 20 0 EGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000248452785 308003687 /nfs/dbraw/zinc/00/36/87/308003687.db2.gz GORYEUFGWZHCQR-DLBZAZTESA-N 2 1 348.487 3.154 20 0 EGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000248452785 308003688 /nfs/dbraw/zinc/00/36/88/308003688.db2.gz GORYEUFGWZHCQR-DLBZAZTESA-N 2 1 348.487 3.154 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000248575696 308006088 /nfs/dbraw/zinc/00/60/88/308006088.db2.gz SYQWOZWHGTYIPU-SGLNWRHMSA-N 3 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000248575696 308006090 /nfs/dbraw/zinc/00/60/90/308006090.db2.gz SYQWOZWHGTYIPU-SGLNWRHMSA-N 3 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000248575696 308006094 /nfs/dbraw/zinc/00/60/94/308006094.db2.gz SYQWOZWHGTYIPU-SGLNWRHMSA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000248575696 308006100 /nfs/dbraw/zinc/00/61/00/308006100.db2.gz SYQWOZWHGTYIPU-SGLNWRHMSA-N 2 1 329.532 3.215 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000253335850 308033372 /nfs/dbraw/zinc/03/33/72/308033372.db2.gz ATAOPHHHPBUDBN-KURKYZTESA-N 2 1 348.535 3.241 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000253335850 308033374 /nfs/dbraw/zinc/03/33/74/308033374.db2.gz ATAOPHHHPBUDBN-KURKYZTESA-N 2 1 348.535 3.241 20 0 EGADMP C[C@@H](c1nc(-c2ccccc2)no1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292997976 308088487 /nfs/dbraw/zinc/08/84/87/308088487.db2.gz OPCXNDYAGYLGFK-KXBFYZLASA-N 2 1 326.444 3.215 20 0 EGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)C2)C1 ZINC000293079377 308097244 /nfs/dbraw/zinc/09/72/44/308097244.db2.gz WCSHPNTWAZSHCS-SFHVURJKSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(=O)Nc3ccc(Cl)cc3)C2)C1 ZINC000293079377 308097245 /nfs/dbraw/zinc/09/72/45/308097245.db2.gz WCSHPNTWAZSHCS-SFHVURJKSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)Nc3ccc(Cl)cc3)C2)C1 ZINC000293079377 308097246 /nfs/dbraw/zinc/09/72/46/308097246.db2.gz WCSHPNTWAZSHCS-SFHVURJKSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+](C)CCC1CC[NH+](Cc2ccnc(Br)c2)CC1 ZINC000293470767 308133651 /nfs/dbraw/zinc/13/36/51/308133651.db2.gz LSFBRLQUXJYDBQ-UHFFFAOYSA-N 2 1 326.282 3.008 20 0 EGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H](CC(N)=O)c3ccccc3)CC2)C1 ZINC000293515052 308137772 /nfs/dbraw/zinc/13/77/72/308137772.db2.gz ANUVEMXVTYEUKE-LSTHTHJFSA-N 2 1 343.515 3.236 20 0 EGADMP OC1CC[NH+](CCC[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000293609445 308146261 /nfs/dbraw/zinc/14/62/61/308146261.db2.gz GNRUOSARTZOBBL-LJQANCHMSA-N 2 1 336.907 3.098 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000293670356 308151428 /nfs/dbraw/zinc/15/14/28/308151428.db2.gz JSYSGRMKLZBCGM-IBGZPJMESA-N 2 1 336.907 3.362 20 0 EGADMP C[NH+](C)CCCC1CC[NH+](Cc2ccnc(Br)c2)CC1 ZINC000293915345 308173664 /nfs/dbraw/zinc/17/36/64/308173664.db2.gz XGUGXFKNGNXMAO-UHFFFAOYSA-N 2 1 340.309 3.398 20 0 EGADMP O[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000293927602 308174801 /nfs/dbraw/zinc/17/48/01/308174801.db2.gz YMYZDIBTMDKBAG-YTQUADARSA-N 2 1 340.467 3.415 20 0 EGADMP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000293927602 308174802 /nfs/dbraw/zinc/17/48/02/308174802.db2.gz YMYZDIBTMDKBAG-YTQUADARSA-N 2 1 340.467 3.415 20 0 EGADMP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000293927602 308174804 /nfs/dbraw/zinc/17/48/04/308174804.db2.gz YMYZDIBTMDKBAG-YTQUADARSA-N 2 1 340.467 3.415 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)cc1)C(C)C ZINC000294017930 308183357 /nfs/dbraw/zinc/18/33/57/308183357.db2.gz YUMZNKNJROMFNU-OAQYLSRUSA-N 2 1 343.515 3.085 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1)C(C)C ZINC000294017930 308183359 /nfs/dbraw/zinc/18/33/59/308183359.db2.gz YUMZNKNJROMFNU-OAQYLSRUSA-N 2 1 343.515 3.085 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1)C(C)C ZINC000294017930 308183361 /nfs/dbraw/zinc/18/33/61/308183361.db2.gz YUMZNKNJROMFNU-OAQYLSRUSA-N 2 1 343.515 3.085 20 0 EGADMP COc1ccncc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000294505080 308227213 /nfs/dbraw/zinc/22/72/13/308227213.db2.gz YMKSZBLCVIJFBO-YZGWKJHDSA-N 2 1 337.467 3.090 20 0 EGADMP COc1ccncc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000294505080 308227214 /nfs/dbraw/zinc/22/72/14/308227214.db2.gz YMKSZBLCVIJFBO-YZGWKJHDSA-N 2 1 337.467 3.090 20 0 EGADMP COc1ccncc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000294505070 308227289 /nfs/dbraw/zinc/22/72/89/308227289.db2.gz YMKSZBLCVIJFBO-MISYRCLQSA-N 2 1 337.467 3.090 20 0 EGADMP COc1ccncc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000294505070 308227291 /nfs/dbraw/zinc/22/72/91/308227291.db2.gz YMKSZBLCVIJFBO-MISYRCLQSA-N 2 1 337.467 3.090 20 0 EGADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000294993000 308279725 /nfs/dbraw/zinc/27/97/25/308279725.db2.gz QOZGVPRDASIPGH-NRSPTQNISA-N 2 1 328.500 3.193 20 0 EGADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000294993000 308279726 /nfs/dbraw/zinc/27/97/26/308279726.db2.gz QOZGVPRDASIPGH-NRSPTQNISA-N 2 1 328.500 3.193 20 0 EGADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000294993000 308279727 /nfs/dbraw/zinc/27/97/27/308279727.db2.gz QOZGVPRDASIPGH-NRSPTQNISA-N 2 1 328.500 3.193 20 0 EGADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000295200991 308302390 /nfs/dbraw/zinc/30/23/90/308302390.db2.gz PBINUYAAMGJKIS-NSHGMRRFSA-N 2 1 343.515 3.108 20 0 EGADMP CC(C)C[C@@H](C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000295356918 308318094 /nfs/dbraw/zinc/31/80/94/308318094.db2.gz RETZUJNVZFCMER-TZIWHRDSSA-N 2 1 329.532 3.313 20 0 EGADMP C[NH2+][C@@H](C)Cc1noc([C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n1 ZINC000414653521 309093716 /nfs/dbraw/zinc/09/37/16/309093716.db2.gz XQBJCLLPRUHHSK-DZGCQCFKSA-N 2 1 343.475 3.194 20 0 EGADMP CC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)c1cc2ccccc2o1 ZINC000414695399 309095822 /nfs/dbraw/zinc/09/58/22/309095822.db2.gz UPYAZCWUTYIOBN-CVEARBPZSA-N 2 1 343.471 3.013 20 0 EGADMP CCCC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)c1ccccc1 ZINC000414718900 309097306 /nfs/dbraw/zinc/09/73/06/309097306.db2.gz ZWVFPMOKRVYBPK-QZTJIDSGSA-N 2 1 331.504 3.047 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(Br)c1F ZINC000296597315 308445487 /nfs/dbraw/zinc/44/54/87/308445487.db2.gz YEYSTFBXAQSSIW-UHFFFAOYSA-N 2 1 326.213 3.273 20 0 EGADMP CCOc1cc2c(cc1OCC)C[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000414682059 309095251 /nfs/dbraw/zinc/09/52/51/309095251.db2.gz XNCYUKKIOTZJAW-HZPDHXFCSA-N 2 1 332.488 3.230 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](CC(C)C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414695724 309095747 /nfs/dbraw/zinc/09/57/47/309095747.db2.gz OPSGYTJEIFDPBR-AZUAARDMSA-N 2 1 345.531 3.293 20 0 EGADMP CCCOc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414773089 309099974 /nfs/dbraw/zinc/09/99/74/309099974.db2.gz CWQZMECIOQCCMJ-QZTJIDSGSA-N 2 1 332.488 3.306 20 0 EGADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000414751104 309098844 /nfs/dbraw/zinc/09/88/44/309098844.db2.gz ZSPZFAVNIVRTMW-FGTMMUONSA-N 2 1 331.504 3.422 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)sc1Br ZINC000414767318 309099496 /nfs/dbraw/zinc/09/94/96/309099496.db2.gz JQUSFACEDLFGBR-TXEJJXNPSA-N 2 1 329.307 3.250 20 0 EGADMP Cc1cc(Br)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000414768606 309099615 /nfs/dbraw/zinc/09/96/15/309099615.db2.gz MANQKIHWIASLLU-TXEJJXNPSA-N 2 1 329.307 3.250 20 0 EGADMP Brc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1Br ZINC000414780640 309100671 /nfs/dbraw/zinc/10/06/71/309100671.db2.gz BRZWDKZFTLQLND-UHFFFAOYSA-N 2 1 348.082 3.053 20 0 EGADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000414829441 309104333 /nfs/dbraw/zinc/10/43/33/309104333.db2.gz AWVSBTUAPPVLSA-MRXNPFEDSA-N 2 1 326.488 3.170 20 0 EGADMP COc1cccc2c(NC3CC[NH+]([C@H]4CCOC4)CC3)cc(C)[nH+]c12 ZINC000301870152 308719302 /nfs/dbraw/zinc/71/93/02/308719302.db2.gz JQLZMGVXFABHCZ-INIZCTEOSA-N 2 1 341.455 3.217 20 0 EGADMP COc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)c(-c2ccccc2)cc1OC ZINC000414890884 309107545 /nfs/dbraw/zinc/10/75/45/309107545.db2.gz NHXDYVLIEDZYEW-SFHVURJKSA-N 2 1 326.440 3.198 20 0 EGADMP C[C@]1(C[NH2+]Cc2ccccc2OCc2cccnc2)CCC[NH2+]C1 ZINC000414898645 309108111 /nfs/dbraw/zinc/10/81/11/309108111.db2.gz BQSIFVYVUQNGHK-FQEVSTJZSA-N 2 1 325.456 3.140 20 0 EGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000414975963 309112477 /nfs/dbraw/zinc/11/24/77/309112477.db2.gz PCVWWPUCWKLPFN-GOSISDBHSA-N 2 1 326.488 3.473 20 0 EGADMP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000415027189 309115163 /nfs/dbraw/zinc/11/51/63/309115163.db2.gz VTZKOOOFWWPOGL-OOOLTRJPSA-N 3 1 341.543 3.252 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)cc2)cs1 ZINC000415057447 309117232 /nfs/dbraw/zinc/11/72/32/309117232.db2.gz STKVESRFMUIBMZ-AUUYWEPGSA-N 2 1 345.512 3.447 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCC[NH2+]C1CC1 ZINC000415065395 309117878 /nfs/dbraw/zinc/11/78/78/309117878.db2.gz GCFGCVJIFITYEK-UHFFFAOYSA-N 2 1 346.906 3.433 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000415083578 309119075 /nfs/dbraw/zinc/11/90/75/309119075.db2.gz PXWZPMHTIXBHFZ-HIFRSBDPSA-N 2 1 345.409 3.423 20 0 EGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(Cl)ccc3F)CC2)C1 ZINC000415123870 309122121 /nfs/dbraw/zinc/12/21/21/309122121.db2.gz LQYSRQSSMRTKFK-WBVHZDCISA-N 2 1 326.843 3.197 20 0 EGADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)nn1 ZINC000415134326 309123021 /nfs/dbraw/zinc/12/30/21/309123021.db2.gz VZQOWSLGHSPQFA-OAQYLSRUSA-N 2 1 347.466 3.241 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415983478 309152853 /nfs/dbraw/zinc/15/28/53/309152853.db2.gz ZNUDAYAEWUNRMY-UHFFFAOYSA-N 2 1 332.492 3.121 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)CCC2)c1 ZINC000420292907 309279713 /nfs/dbraw/zinc/27/97/13/309279713.db2.gz QHKLCKNUBOPHTJ-IEBWSBKVSA-N 2 1 346.515 3.441 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H](c3ccccc3OC)C2)cc1 ZINC000420294928 309279819 /nfs/dbraw/zinc/27/98/19/309279819.db2.gz BNAIYEIHWVLBID-ZWKOTPCHSA-N 2 1 340.467 3.236 20 0 EGADMP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC[C@H]1CCC[NH2+]C1 ZINC000420299063 309280176 /nfs/dbraw/zinc/28/01/76/309280176.db2.gz GEQHKNNSERDRTR-QGZVFWFLSA-N 2 1 326.488 3.331 20 0 EGADMP [NH3+]C[C@H]1CC[N@@H+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420299157 309280276 /nfs/dbraw/zinc/28/02/76/309280276.db2.gz TUMOTODUFPAORN-FOIQADDNSA-N 2 1 333.435 3.373 20 0 EGADMP [NH3+]C[C@H]1CC[N@H+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420299157 309280277 /nfs/dbraw/zinc/28/02/77/309280277.db2.gz TUMOTODUFPAORN-FOIQADDNSA-N 2 1 333.435 3.373 20 0 EGADMP Clc1ccc(O[C@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000420303416 309280449 /nfs/dbraw/zinc/28/04/49/309280449.db2.gz NIGNKRCJYCONQD-JSGCOSHPSA-N 2 1 329.271 3.446 20 0 EGADMP C[C@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@@H]1c1ccccc1 ZINC000420302504 309280483 /nfs/dbraw/zinc/28/04/83/309280483.db2.gz MKCBAKRCRUFOEE-MQGJPIDWSA-N 2 1 338.495 3.043 20 0 EGADMP Cn1ccnc1C[N@@H+](CCCCC(F)(F)F)[C@H]1CC12CC[NH2+]CC2 ZINC000420310608 309280900 /nfs/dbraw/zinc/28/09/00/309280900.db2.gz MMLFRKKACDICRU-AWEZNQCLSA-N 2 1 344.425 3.097 20 0 EGADMP Cn1ccnc1C[N@@H+](CCCc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420308038 309281006 /nfs/dbraw/zinc/28/10/06/309281006.db2.gz JSARYINNSNNLOX-QGZVFWFLSA-N 2 1 344.528 3.059 20 0 EGADMP Clc1ccc(-n2ccc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000420308852 309281033 /nfs/dbraw/zinc/28/10/33/309281033.db2.gz DPGABIWUKXQODC-MRXNPFEDSA-N 2 1 344.890 3.347 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000420310927 309281170 /nfs/dbraw/zinc/28/11/70/309281170.db2.gz VJYHTBZZAKZMHJ-IHPCNDPISA-N 2 1 344.886 3.060 20 0 EGADMP Clc1ccc(-n2ccc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000420331429 309282696 /nfs/dbraw/zinc/28/26/96/309282696.db2.gz DWZKFUZRSJZHDC-LJQANCHMSA-N 2 1 344.890 3.490 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420334322 309282802 /nfs/dbraw/zinc/28/28/02/309282802.db2.gz GDSKIECXPQEZCI-KSZLIROESA-N 2 1 343.515 3.459 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420339515 309283306 /nfs/dbraw/zinc/28/33/06/309283306.db2.gz LXJQPPSVFATALD-CVEARBPZSA-N 2 1 347.528 3.059 20 0 EGADMP Clc1cccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420345338 309283445 /nfs/dbraw/zinc/28/34/45/309283445.db2.gz VWJWWJOJZBZSJE-LSDHHAIUSA-N 2 1 346.862 3.212 20 0 EGADMP Fc1ccc([C@@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)c(Cl)c1 ZINC000420363930 309284404 /nfs/dbraw/zinc/28/44/04/309284404.db2.gz CEPZHPFKIKXCOC-KRWDZBQOSA-N 2 1 326.843 3.242 20 0 EGADMP Fc1ccc([C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)c(Cl)c1 ZINC000420363930 309284405 /nfs/dbraw/zinc/28/44/05/309284405.db2.gz CEPZHPFKIKXCOC-KRWDZBQOSA-N 2 1 326.843 3.242 20 0 EGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420384283 309285624 /nfs/dbraw/zinc/28/56/24/309285624.db2.gz RLYRMJPUHFEGLM-IAGOWNOFSA-N 2 1 333.867 3.178 20 0 EGADMP Fc1ccc(-c2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)on2)cc1 ZINC000420404355 309286644 /nfs/dbraw/zinc/28/66/44/309286644.db2.gz RYACWIFUVZSMRS-HNAYVOBHSA-N 2 1 329.419 3.445 20 0 EGADMP Fc1ccc(-c2cc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)on2)cc1 ZINC000420404355 309286645 /nfs/dbraw/zinc/28/66/45/309286645.db2.gz RYACWIFUVZSMRS-HNAYVOBHSA-N 2 1 329.419 3.445 20 0 EGADMP Fc1ccc(-c2cc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)on2)cc1 ZINC000420404353 309286696 /nfs/dbraw/zinc/28/66/96/309286696.db2.gz RYACWIFUVZSMRS-BEFAXECRSA-N 2 1 329.419 3.445 20 0 EGADMP Fc1ccc(-c2cc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)on2)cc1 ZINC000420404353 309286697 /nfs/dbraw/zinc/28/66/97/309286697.db2.gz RYACWIFUVZSMRS-BEFAXECRSA-N 2 1 329.419 3.445 20 0 EGADMP COc1cccc(C[N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420904059 309300139 /nfs/dbraw/zinc/30/01/39/309300139.db2.gz PCAZEDABFSXBIO-UHFFFAOYSA-N 2 1 340.467 3.159 20 0 EGADMP COc1cccc(C[N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420904059 309300140 /nfs/dbraw/zinc/30/01/40/309300140.db2.gz PCAZEDABFSXBIO-UHFFFAOYSA-N 2 1 340.467 3.159 20 0 EGADMP CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420924134 309301299 /nfs/dbraw/zinc/30/12/99/309301299.db2.gz RYIOPEXLQFFCNG-NHCUHLMSSA-N 2 1 346.515 3.202 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc4ccccc4o3)CC2)CC1 ZINC000420973352 309305355 /nfs/dbraw/zinc/30/53/55/309305355.db2.gz CAYZYDCWAHQSIE-UHFFFAOYSA-N 2 1 341.499 3.425 20 0 EGADMP COC1([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCCC1 ZINC000421826140 309341777 /nfs/dbraw/zinc/34/17/77/309341777.db2.gz RCKNLXLFKCUESK-QUCCMNQESA-N 2 1 330.516 3.488 20 0 EGADMP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc(Cl)c1OC ZINC000422559204 309361532 /nfs/dbraw/zinc/36/15/32/309361532.db2.gz CQYBUGWWRWKIQK-SCRDCRAPSA-N 2 1 326.868 3.162 20 0 EGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc(Cl)c1OC ZINC000422559204 309361533 /nfs/dbraw/zinc/36/15/33/309361533.db2.gz CQYBUGWWRWKIQK-SCRDCRAPSA-N 2 1 326.868 3.162 20 0 EGADMP CC[C@H]([NH2+]CCc1cc(Br)ccc1F)[C@@H]1CCC[NH2+]1 ZINC000422702227 309363751 /nfs/dbraw/zinc/36/37/51/309363751.db2.gz KHORUDOGVZNOCQ-GJZGRUSLSA-N 2 1 329.257 3.251 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422713384 309364312 /nfs/dbraw/zinc/36/43/12/309364312.db2.gz JORIZGJVZNTIEK-FCEUIQTBSA-N 2 1 343.559 3.451 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422713384 309364313 /nfs/dbraw/zinc/36/43/13/309364313.db2.gz JORIZGJVZNTIEK-FCEUIQTBSA-N 3 1 343.559 3.451 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422713384 309364314 /nfs/dbraw/zinc/36/43/14/309364314.db2.gz JORIZGJVZNTIEK-FCEUIQTBSA-N 3 1 343.559 3.451 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422742505 309366176 /nfs/dbraw/zinc/36/61/76/309366176.db2.gz QBMTWMIYAICHJW-DYESRHJHSA-N 2 1 325.500 3.186 20 0 EGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422742505 309366177 /nfs/dbraw/zinc/36/61/77/309366177.db2.gz QBMTWMIYAICHJW-DYESRHJHSA-N 3 1 325.500 3.186 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422742505 309366178 /nfs/dbraw/zinc/36/61/78/309366178.db2.gz QBMTWMIYAICHJW-DYESRHJHSA-N 3 1 325.500 3.186 20 0 EGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)c1 ZINC000422742505 309366179 /nfs/dbraw/zinc/36/61/79/309366179.db2.gz QBMTWMIYAICHJW-DYESRHJHSA-N 2 1 325.500 3.186 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)c1 ZINC000422742505 309366180 /nfs/dbraw/zinc/36/61/80/309366180.db2.gz QBMTWMIYAICHJW-DYESRHJHSA-N 2 1 325.500 3.186 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422747468 309366214 /nfs/dbraw/zinc/36/62/14/309366214.db2.gz YUVOZLMDLUJGJG-OBJCFNGXSA-N 2 1 327.516 3.332 20 0 EGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422747468 309366215 /nfs/dbraw/zinc/36/62/15/309366215.db2.gz YUVOZLMDLUJGJG-OBJCFNGXSA-N 2 1 327.516 3.332 20 0 EGADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)[nH+]1 ZINC000422770055 309367422 /nfs/dbraw/zinc/36/74/22/309367422.db2.gz WHHWGLPPKNFRKT-SLFFLAALSA-N 3 1 342.531 3.259 20 0 EGADMP COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422774599 309367685 /nfs/dbraw/zinc/36/76/85/309367685.db2.gz XPDPFSKIJDAEIL-GOEBONIOSA-N 2 1 336.476 3.113 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](CC(=O)N(C)C)c1ccccc1 ZINC000422902993 309375364 /nfs/dbraw/zinc/37/53/64/309375364.db2.gz VMIAENMVXAZMGZ-NZSAHSFTSA-N 2 1 331.504 3.106 20 0 EGADMP CC[C@@H]([NH2+]CCc1nc2ccccc2n1C(F)F)[C@@H]1CCCC[NH2+]1 ZINC000422914725 309376135 /nfs/dbraw/zinc/37/61/35/309376135.db2.gz VSDNSIIVKNHAKB-KGLIPLIRSA-N 2 1 336.430 3.484 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000422930794 309376638 /nfs/dbraw/zinc/37/66/38/309376638.db2.gz VXLJTAZPTBOEKH-QUCCMNQESA-N 2 1 342.414 3.180 20 0 EGADMP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422945110 309377439 /nfs/dbraw/zinc/37/74/39/309377439.db2.gz UATYEADPZSEKNW-UEKVPHQBSA-N 2 1 329.257 3.249 20 0 EGADMP COc1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)O[C@H](C)C2 ZINC000422968228 309378849 /nfs/dbraw/zinc/37/88/49/309378849.db2.gz QSUBEUPCQLFNPQ-UTRMSSBJSA-N 2 1 344.499 3.419 20 0 EGADMP C[C@H](NCc1ccccc1C[N@@H+](C)Cc1ccco1)[C@H]1CCC[NH2+]1 ZINC000423011106 309380802 /nfs/dbraw/zinc/38/08/02/309380802.db2.gz YZYAQYBMZFCVEP-OXJNMPFZSA-N 2 1 327.472 3.142 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)Cc1cc(Br)ccc1F)[C@@H]1CCC[NH2+]1 ZINC000423009491 309380813 /nfs/dbraw/zinc/38/08/13/309380813.db2.gz CYTHPLSZMDPUSO-RWSFTLGLSA-N 2 1 329.257 3.249 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000423026672 309381778 /nfs/dbraw/zinc/38/17/78/309381778.db2.gz BVXODMZBDSEMPU-JXFKEZNVSA-N 2 1 334.467 3.135 20 0 EGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423032018 309382134 /nfs/dbraw/zinc/38/21/34/309382134.db2.gz MBSRDLIEMIUGQI-MEDUHNTESA-N 2 1 336.277 3.061 20 0 EGADMP CN1C[C@H](C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)Cc2ccccc21 ZINC000423060889 309383795 /nfs/dbraw/zinc/38/37/95/309383795.db2.gz PPMMXNNSKZNJBR-IOMROCGXSA-N 2 1 335.495 3.378 20 0 EGADMP Fc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000423081121 309384951 /nfs/dbraw/zinc/38/49/51/309384951.db2.gz BFECNBDINVZNKO-ZKIDJSGLSA-N 2 1 332.463 3.209 20 0 EGADMP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])cc2)c1 ZINC000423112091 309386405 /nfs/dbraw/zinc/38/64/05/309386405.db2.gz XBEVCRIQAGMPDM-PMACEKPBSA-N 2 1 342.439 3.466 20 0 EGADMP COc1ncc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1Cl ZINC000423156982 309388719 /nfs/dbraw/zinc/38/87/19/309388719.db2.gz LXLIYRRJWYAZLT-RDJZCZTQSA-N 2 1 331.847 3.327 20 0 EGADMP Fc1cccc(Cl)c1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423169997 309388986 /nfs/dbraw/zinc/38/89/86/309388986.db2.gz KYRQBCGNNFGAPW-GHVWTTSJSA-N 2 1 338.854 3.082 20 0 EGADMP COCCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1OC ZINC000423177468 309389335 /nfs/dbraw/zinc/38/93/35/309389335.db2.gz IWLYRVDARTZZJV-HNNXBMFYSA-N 2 1 336.476 3.033 20 0 EGADMP COc1ccc([C@H]([NH2+]C2CC[NH2+]CC2)C(C)C)c(Br)c1 ZINC000423185903 309389476 /nfs/dbraw/zinc/38/94/76/309389476.db2.gz NVEAQAXEZSXSPJ-MRXNPFEDSA-N 2 1 341.293 3.496 20 0 EGADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000423217566 309390875 /nfs/dbraw/zinc/39/08/75/309390875.db2.gz QHOFLGNIWWIRFT-FNOBOGDDSA-N 3 1 329.532 3.407 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3CCC[NH2+]C3)[C@H]3CCC[C@H]32)cc1 ZINC000423220077 309391088 /nfs/dbraw/zinc/39/10/88/309391088.db2.gz XWKIUJLIKQIYKM-MXEMCNAFSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCC[NH2+]C3)[C@H]3CCC[C@H]32)cc1 ZINC000423220077 309391089 /nfs/dbraw/zinc/39/10/89/309391089.db2.gz XWKIUJLIKQIYKM-MXEMCNAFSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCC[NH2+]C3)[C@H]3CCC[C@H]32)cc1 ZINC000423220077 309391090 /nfs/dbraw/zinc/39/10/90/309391090.db2.gz XWKIUJLIKQIYKM-MXEMCNAFSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NC[C@@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423232571 309391717 /nfs/dbraw/zinc/39/17/17/309391717.db2.gz INUXZTMXUMSNPS-BURNTYAHSA-N 3 1 327.516 3.019 20 0 EGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423263043 309392955 /nfs/dbraw/zinc/39/29/55/309392955.db2.gz ALXUYJSXQRGSHM-YXJHDRRASA-N 2 1 338.467 3.408 20 0 EGADMP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1Br ZINC000423270831 309393364 /nfs/dbraw/zinc/39/33/64/309393364.db2.gz WZXHMZXOWHPKDI-DGCLKSJQSA-N 2 1 329.282 3.482 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H](N[C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423303525 309394680 /nfs/dbraw/zinc/39/46/80/309394680.db2.gz LYAGSXOMFZMMHI-UWHLTILDSA-N 2 1 327.516 3.019 20 0 EGADMP CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC[NH2+]CC1 ZINC000423326381 309395419 /nfs/dbraw/zinc/39/54/19/309395419.db2.gz KLGFOVOAXMAKET-NJDAHSKKSA-N 3 1 341.543 3.409 20 0 EGADMP CC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC[NH2+]CC1 ZINC000423326381 309395420 /nfs/dbraw/zinc/39/54/20/309395420.db2.gz KLGFOVOAXMAKET-NJDAHSKKSA-N 2 1 341.543 3.409 20 0 EGADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000423340778 309396188 /nfs/dbraw/zinc/39/61/88/309396188.db2.gz UAPPKYWZIVBSNN-MBOZVWFJSA-N 2 1 343.515 3.065 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000423363778 309397087 /nfs/dbraw/zinc/39/70/87/309397087.db2.gz VFOIMUOZDCDPEJ-BZSNNMDCSA-N 2 1 343.515 3.433 20 0 EGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1I ZINC000423391150 309398473 /nfs/dbraw/zinc/39/84/73/309398473.db2.gz PKFZSIIYKMCWMT-SRVKXCTJSA-N 2 1 344.240 3.212 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC[NH2+]1 ZINC000423398747 309398533 /nfs/dbraw/zinc/39/85/33/309398533.db2.gz VKKFVGWFWVEMGR-OSAQELSMSA-N 2 1 339.277 3.393 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccccc2CC[NH2+]C)C1 ZINC000423403456 309398765 /nfs/dbraw/zinc/39/87/65/309398765.db2.gz HRWWALFKIAWDJN-QGZVFWFLSA-N 2 1 345.531 3.079 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000423407011 309398858 /nfs/dbraw/zinc/39/88/58/309398858.db2.gz LMKXLCDXEPGXBZ-HZPDHXFCSA-N 2 1 331.504 3.337 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCCN3)[C@H](C)C1 ZINC000423418045 309399468 /nfs/dbraw/zinc/39/94/68/309399468.db2.gz UBPHWFRTOLSEHA-XLIONFOSSA-N 2 1 345.531 3.271 20 0 EGADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2[C@H]4C[NH2+]C[C@H]42)CCC3)cc1 ZINC000423426804 309399889 /nfs/dbraw/zinc/39/98/89/309399889.db2.gz ICTRMSHHWRQAAH-DLTWYDFYSA-N 2 1 341.480 3.004 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000424234754 309433956 /nfs/dbraw/zinc/43/39/56/309433956.db2.gz HDRGKNIKNODGEC-KRWDZBQOSA-N 2 1 331.847 3.349 20 0 EGADMP C[C@@H](C[NH2+][C@@H]1CCCOc2c(Br)cccc21)C[NH+](C)C ZINC000425948391 309495617 /nfs/dbraw/zinc/49/56/17/309495617.db2.gz ANINHYPGPMKLHX-SWLSCSKDSA-N 2 1 341.293 3.450 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)CCC2 ZINC000447547883 309981813 /nfs/dbraw/zinc/98/18/13/309981813.db2.gz DZZXLVZMJIPOCP-ZBFHGGJFSA-N 2 1 348.487 3.464 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449070515 310034517 /nfs/dbraw/zinc/03/45/17/310034517.db2.gz DAHAERZVZBOZGZ-HNNXBMFYSA-N 2 1 329.444 3.169 20 0 EGADMP CCn1nnc(C)c1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000449080847 310035461 /nfs/dbraw/zinc/03/54/61/310035461.db2.gz ZQWNXNBHCCTJPH-MRXNPFEDSA-N 2 1 341.503 3.271 20 0 EGADMP Cc1cccc(CC[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000449233849 310046544 /nfs/dbraw/zinc/04/65/44/310046544.db2.gz NLUAUOZGBGMGKA-QFIPXVFZSA-N 2 1 338.495 3.284 20 0 EGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000449384385 310057812 /nfs/dbraw/zinc/05/78/12/310057812.db2.gz MXMBJYKZYCGGNJ-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]([NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449515178 310068582 /nfs/dbraw/zinc/06/85/82/310068582.db2.gz ZPQBMAUJPJXAAT-FBEWHJACSA-N 2 1 342.527 3.284 20 0 EGADMP CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000449563913 310072348 /nfs/dbraw/zinc/07/23/48/310072348.db2.gz ZPHMUIMGOVYDFP-KRWDZBQOSA-N 2 1 342.487 3.228 20 0 EGADMP CC(C)Oc1ccc2[nH+]ccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000450253044 310111187 /nfs/dbraw/zinc/11/11/87/310111187.db2.gz LUKXFDDHUGMMCW-CVEARBPZSA-N 2 1 325.456 3.483 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450858068 310146221 /nfs/dbraw/zinc/14/62/21/310146221.db2.gz SFWNVHHIZMMPHK-IEBWSBKVSA-N 2 1 329.488 3.322 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450858068 310146222 /nfs/dbraw/zinc/14/62/22/310146222.db2.gz SFWNVHHIZMMPHK-IEBWSBKVSA-N 2 1 329.488 3.322 20 0 EGADMP O=C1CCC(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000451044329 310157421 /nfs/dbraw/zinc/15/74/21/310157421.db2.gz BHFMRAZPMUWJIK-WOJBJXKFSA-N 2 1 326.484 3.200 20 0 EGADMP O=C1CCC(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000451044329 310157422 /nfs/dbraw/zinc/15/74/22/310157422.db2.gz BHFMRAZPMUWJIK-WOJBJXKFSA-N 2 1 326.484 3.200 20 0 EGADMP O=C1CCC(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000451044329 310157423 /nfs/dbraw/zinc/15/74/23/310157423.db2.gz BHFMRAZPMUWJIK-WOJBJXKFSA-N 2 1 326.484 3.200 20 0 EGADMP O=C1CCC(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000451044329 310157424 /nfs/dbraw/zinc/15/74/24/310157424.db2.gz BHFMRAZPMUWJIK-WOJBJXKFSA-N 2 1 326.484 3.200 20 0 EGADMP CO[C@@H]1CC[NH+](CC(C)C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)CC1(C)C ZINC000451568537 310187058 /nfs/dbraw/zinc/18/70/58/310187058.db2.gz RULGBCUDBHJUTK-QZTJIDSGSA-N 2 1 340.552 3.116 20 0 EGADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453212284 310264329 /nfs/dbraw/zinc/26/43/29/310264329.db2.gz OBUGFICKXOEZPT-QSUVIHHLSA-N 2 1 328.500 3.180 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([N@@H+]3CCC[C@]4(CCOC4)C3)CC2)cc1 ZINC000453365370 310273122 /nfs/dbraw/zinc/27/31/22/310273122.db2.gz LWWYLKHYRWWAJX-NRFANRHFSA-N 2 1 346.490 3.335 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([N@H+]3CCC[C@]4(CCOC4)C3)CC2)cc1 ZINC000453365370 310273123 /nfs/dbraw/zinc/27/31/23/310273123.db2.gz LWWYLKHYRWWAJX-NRFANRHFSA-N 2 1 346.490 3.335 20 0 EGADMP c1ccc(CC[NH+]2CCC([N@@H+]3CCC[C@@]4(CCOC4)C3)CC2)cc1 ZINC000453371203 310273379 /nfs/dbraw/zinc/27/33/79/310273379.db2.gz NUNIUBAPZPPZIZ-OAQYLSRUSA-N 2 1 328.500 3.196 20 0 EGADMP c1ccc(CC[NH+]2CCC([N@H+]3CCC[C@@]4(CCOC4)C3)CC2)cc1 ZINC000453371203 310273380 /nfs/dbraw/zinc/27/33/80/310273380.db2.gz NUNIUBAPZPPZIZ-OAQYLSRUSA-N 2 1 328.500 3.196 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453388618 310274308 /nfs/dbraw/zinc/27/43/08/310274308.db2.gz BTEUOFSFCTYNCS-CQSZACIVSA-N 2 1 333.476 3.179 20 0 EGADMP CCn1ccnc1[C@H](C)NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000454373961 310306063 /nfs/dbraw/zinc/30/60/63/310306063.db2.gz RNMDEMZPAVLBHS-XHSDSOJGSA-N 2 1 349.523 3.020 20 0 EGADMP Cc1cc(C)c(CNC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000454386177 310306805 /nfs/dbraw/zinc/30/68/05/310306805.db2.gz XFDHZQJWTOOYCR-GASCZTMLSA-N 2 1 346.519 3.254 20 0 EGADMP CCCN(CC[NH+](CC)CC)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000455648237 310371217 /nfs/dbraw/zinc/37/12/17/310371217.db2.gz WIEHFKVZKZBRIA-UHFFFAOYSA-N 2 1 331.464 3.228 20 0 EGADMP CC(C)[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@H+]1C ZINC000455870256 310380453 /nfs/dbraw/zinc/38/04/53/310380453.db2.gz XADKCNLZPLTBHV-MOPGFXCFSA-N 2 1 344.503 3.039 20 0 EGADMP CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455931787 310382578 /nfs/dbraw/zinc/38/25/78/310382578.db2.gz PRFFLPRVGITHAB-HNAYVOBHSA-N 2 1 344.503 3.089 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456338895 310399246 /nfs/dbraw/zinc/39/92/46/310399246.db2.gz OLZWIHPGWTZXAP-MSOLQXFVSA-N 2 1 345.531 3.134 20 0 EGADMP CCOc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000486938619 311002933 /nfs/dbraw/zinc/00/29/33/311002933.db2.gz MSPCFWAHVAHADZ-IYBDPMFKSA-N 2 1 338.467 3.203 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCSC[C@@H](C)C2)CC1 ZINC000488396431 311063554 /nfs/dbraw/zinc/06/35/54/311063554.db2.gz KQDSXBMJNNGTIO-KRWDZBQOSA-N 2 1 333.545 3.013 20 0 EGADMP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)CS1 ZINC000488419270 311064864 /nfs/dbraw/zinc/06/48/64/311064864.db2.gz ZXUMXUALIJLDMF-VQTJNVASSA-N 2 1 347.572 3.054 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)cc1)C1CC1 ZINC000489309784 311099248 /nfs/dbraw/zinc/09/92/48/311099248.db2.gz ZQLPUDVERMZNPH-FQEVSTJZSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1)C1CC1 ZINC000489309784 311099250 /nfs/dbraw/zinc/09/92/50/311099250.db2.gz ZQLPUDVERMZNPH-FQEVSTJZSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1)C1CC1 ZINC000489309784 311099251 /nfs/dbraw/zinc/09/92/51/311099251.db2.gz ZQLPUDVERMZNPH-FQEVSTJZSA-N 2 1 343.515 3.083 20 0 EGADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)NC(=O)OC(C)(C)C ZINC000492439219 311250811 /nfs/dbraw/zinc/25/08/11/311250811.db2.gz VNALULDCYQQRQZ-OWCLPIDISA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000507954631 312085664 /nfs/dbraw/zinc/08/56/64/312085664.db2.gz WWUXRYSRIUSYBO-PMXSJFBMSA-N 2 1 330.516 3.285 20 0 EGADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000507954631 312085665 /nfs/dbraw/zinc/08/56/65/312085665.db2.gz WWUXRYSRIUSYBO-PMXSJFBMSA-N 2 1 330.516 3.285 20 0 EGADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512665914 312191648 /nfs/dbraw/zinc/19/16/48/312191648.db2.gz IAXGUWCWENBJCF-OFOKGCAXSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)[C@@H]1C ZINC000512666227 312191669 /nfs/dbraw/zinc/19/16/69/312191669.db2.gz JKFZHBVILFDPNK-CYPWRKRPSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)[C@@H]1C ZINC000512666227 312191670 /nfs/dbraw/zinc/19/16/70/312191670.db2.gz JKFZHBVILFDPNK-CYPWRKRPSA-N 2 1 330.516 3.284 20 0 EGADMP C[NH+](C)C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)c1ccc(F)cc1 ZINC000514903010 312252664 /nfs/dbraw/zinc/25/26/64/312252664.db2.gz HJPFPRSXRLRTSD-IBGZPJMESA-N 2 1 349.494 3.199 20 0 EGADMP C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000515777196 312297145 /nfs/dbraw/zinc/29/71/45/312297145.db2.gz YZQOEKNNMXCWJK-MBDNFAEBSA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000515777196 312297147 /nfs/dbraw/zinc/29/71/47/312297147.db2.gz YZQOEKNNMXCWJK-MBDNFAEBSA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000515777196 312297148 /nfs/dbraw/zinc/29/71/48/312297148.db2.gz YZQOEKNNMXCWJK-MBDNFAEBSA-N 2 1 341.543 3.361 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000515777196 312297151 /nfs/dbraw/zinc/29/71/51/312297151.db2.gz YZQOEKNNMXCWJK-MBDNFAEBSA-N 3 1 341.543 3.361 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000515777196 312297154 /nfs/dbraw/zinc/29/71/54/312297154.db2.gz YZQOEKNNMXCWJK-MBDNFAEBSA-N 3 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000515777196 312297156 /nfs/dbraw/zinc/29/71/56/312297156.db2.gz YZQOEKNNMXCWJK-MBDNFAEBSA-N 3 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000515777196 312297158 /nfs/dbraw/zinc/29/71/58/312297158.db2.gz YZQOEKNNMXCWJK-MBDNFAEBSA-N 3 1 341.543 3.361 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000516215468 312314778 /nfs/dbraw/zinc/31/47/78/312314778.db2.gz VVLNDRXIBMWUET-GOSISDBHSA-N 2 1 340.552 3.262 20 0 EGADMP CSc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)s1 ZINC000517207026 312367872 /nfs/dbraw/zinc/36/78/72/312367872.db2.gz DJRYMDDPENGLQM-OAHLLOKOSA-N 2 1 339.574 3.070 20 0 EGADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(-c2ccnn2C)c1 ZINC000517248440 312372193 /nfs/dbraw/zinc/37/21/93/312372193.db2.gz NFVHMNXBUMVCAS-QGZVFWFLSA-N 2 1 326.488 3.215 20 0 EGADMP CCc1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000517525129 312382054 /nfs/dbraw/zinc/38/20/54/312382054.db2.gz LVTTZUBHYDJOCQ-LJQANCHMSA-N 2 1 343.540 3.389 20 0 EGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000518349112 312413047 /nfs/dbraw/zinc/41/30/47/312413047.db2.gz TVZXXSSSILUNGD-MAUKXSAKSA-N 2 1 347.484 3.121 20 0 EGADMP OC1CC(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000528017442 313001343 /nfs/dbraw/zinc/00/13/43/313001343.db2.gz GYPKENFGGIGPBK-ZOBFTUDESA-N 2 1 328.500 3.038 20 0 EGADMP C[N@H+]1CCC[C@]2(CC[NH+](CC3(O)CCC(c4ccccc4)CC3)C2)C1 ZINC000528512245 313109261 /nfs/dbraw/zinc/10/92/61/313109261.db2.gz JERDWCANMAVENX-ORFBVSJDSA-N 2 1 342.527 3.493 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@H+](CC3(O)CCC(c4ccccc4)CC3)C2)C1 ZINC000528512245 313109264 /nfs/dbraw/zinc/10/92/64/313109264.db2.gz JERDWCANMAVENX-ORFBVSJDSA-N 2 1 342.527 3.493 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC3(O)CCC(c4ccccc4)CC3)C2)C1 ZINC000528512245 313109269 /nfs/dbraw/zinc/10/92/69/313109269.db2.gz JERDWCANMAVENX-ORFBVSJDSA-N 2 1 342.527 3.493 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000090079101 454274632 /nfs/dbraw/zinc/27/46/32/454274632.db2.gz JSPVSYNLERCRDR-UGFHNGPFSA-N 2 1 331.287 3.347 20 0 EGADMP CCOc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000535085131 314025938 /nfs/dbraw/zinc/02/59/38/314025938.db2.gz ZQUKVEDTIQBJQG-HDICACEKSA-N 2 1 346.515 3.407 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2)[C@@H](C)C1 ZINC000536874243 314151379 /nfs/dbraw/zinc/15/13/79/314151379.db2.gz CPNOXOPXBPOLSY-BJLQDIEVSA-N 2 1 334.504 3.181 20 0 EGADMP CCc1ccc([C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C(C)C)cc1 ZINC000536998294 314156020 /nfs/dbraw/zinc/15/60/20/314156020.db2.gz NEFXSCYIEFOLCT-WOJBJXKFSA-N 2 1 345.531 3.123 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+](C/C=C\c3ccc(F)cc3)CC2)CC1 ZINC000537658755 314200174 /nfs/dbraw/zinc/20/01/74/314200174.db2.gz AGDFCVZUYYPTBV-ARJAWSKDSA-N 2 1 345.506 3.329 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)[C@@H](C)C1 ZINC000539062397 314294066 /nfs/dbraw/zinc/29/40/66/314294066.db2.gz WXDBUSXRRJGSQK-SSCXBUAASA-N 2 1 342.527 3.299 20 0 EGADMP COc1ccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000539861350 314346676 /nfs/dbraw/zinc/34/66/76/314346676.db2.gz MLYPUNJROXYCFH-HDICACEKSA-N 2 1 346.515 3.407 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000540178086 314367512 /nfs/dbraw/zinc/36/75/12/314367512.db2.gz PVXBGQPMIIWHDS-KGLIPLIRSA-N 2 1 326.444 3.063 20 0 EGADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCC[C@@H]2C2CC2)c2cccs2)CC1 ZINC000540260817 314372524 /nfs/dbraw/zinc/37/25/24/314372524.db2.gz NYTYVTDOPQZZSA-KZNAEPCWSA-N 2 1 333.545 3.205 20 0 EGADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000547828254 314944318 /nfs/dbraw/zinc/94/43/18/314944318.db2.gz IMLGTGGVGLYWFT-UHFFFAOYSA-N 2 1 345.535 3.211 20 0 EGADMP OC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000548399657 315004986 /nfs/dbraw/zinc/00/49/86/315004986.db2.gz PALZOBGXGQBENY-INIZCTEOSA-N 2 1 330.394 3.204 20 0 EGADMP CO[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000550896056 315136915 /nfs/dbraw/zinc/13/69/15/315136915.db2.gz VWFYBAXYIUKDDB-UWHLTILDSA-N 2 1 328.500 3.302 20 0 EGADMP C[C@@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+]1CC(C)C1 ZINC000552979880 315239323 /nfs/dbraw/zinc/23/93/23/315239323.db2.gz DYTSOLBVCDWLNU-MSOLQXFVSA-N 2 1 343.515 3.017 20 0 EGADMP CC(C)[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc2c(c1)OCCO2 ZINC000563545230 316036574 /nfs/dbraw/zinc/03/65/74/316036574.db2.gz JOYAMZWJCNYEFF-LJQANCHMSA-N 2 1 329.444 3.111 20 0 EGADMP CCCNC(=O)CCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000565156422 316276668 /nfs/dbraw/zinc/27/66/68/316276668.db2.gz JQGUDYNJKLZGMJ-QUCCMNQESA-N 2 1 345.531 3.278 20 0 EGADMP CCCNC(=O)CCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000565156422 316276671 /nfs/dbraw/zinc/27/66/71/316276671.db2.gz JQGUDYNJKLZGMJ-QUCCMNQESA-N 2 1 345.531 3.278 20 0 EGADMP CCCNC(=O)CCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000565156422 316276674 /nfs/dbraw/zinc/27/66/74/316276674.db2.gz JQGUDYNJKLZGMJ-QUCCMNQESA-N 2 1 345.531 3.278 20 0 EGADMP CCCNC(=O)CCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000565156422 316276677 /nfs/dbraw/zinc/27/66/77/316276677.db2.gz JQGUDYNJKLZGMJ-QUCCMNQESA-N 2 1 345.531 3.278 20 0 EGADMP Cc1ncc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)n1C ZINC000565241167 316297124 /nfs/dbraw/zinc/29/71/24/316297124.db2.gz AFWMYNUVNXVHSK-CALCHBBNSA-N 2 1 340.515 3.496 20 0 EGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000565600654 316344991 /nfs/dbraw/zinc/34/49/91/316344991.db2.gz DRNIVDBECWUUDV-KRWDZBQOSA-N 2 1 349.544 3.198 20 0 EGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cncc(Br)c1 ZINC000566499655 316487811 /nfs/dbraw/zinc/48/78/11/316487811.db2.gz BIUDGZAXBIXUJK-TUKIKUTGSA-N 2 1 326.282 3.368 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000570795109 317109159 /nfs/dbraw/zinc/10/91/59/317109159.db2.gz LVXMDOOEYOXSIS-OAQYLSRUSA-N 2 1 337.467 3.318 20 0 EGADMP COc1cc(F)c(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000571452166 317201452 /nfs/dbraw/zinc/20/14/52/317201452.db2.gz DKULWGFKAMOAFN-OAHLLOKOSA-N 2 1 338.467 3.445 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000571501455 317208183 /nfs/dbraw/zinc/20/81/83/317208183.db2.gz CMVYNNIJWRZSGV-LJQANCHMSA-N 2 1 343.515 3.133 20 0 EGADMP COc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000179149356 455013145 /nfs/dbraw/zinc/01/31/45/455013145.db2.gz NOUHQAJJHHMOTL-TYNCELHUSA-N 2 1 341.293 3.276 20 0 EGADMP COc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000179149356 455013149 /nfs/dbraw/zinc/01/31/49/455013149.db2.gz NOUHQAJJHHMOTL-TYNCELHUSA-N 2 1 341.293 3.276 20 0 EGADMP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261615103 455913811 /nfs/dbraw/zinc/91/38/11/455913811.db2.gz FPKNCEFOSOQPNH-TZMCWYRMSA-N 2 1 328.287 3.034 20 0 EGADMP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261615103 455913814 /nfs/dbraw/zinc/91/38/14/455913814.db2.gz FPKNCEFOSOQPNH-TZMCWYRMSA-N 2 1 328.287 3.034 20 0 EGADMP C[C@@H]1C[C@@H](NCc2c(F)ccc(Br)c2F)CC[N@H+]1C ZINC000230309932 456136225 /nfs/dbraw/zinc/13/62/25/456136225.db2.gz MRWRXZPOENFLCY-ZJUUUORDSA-N 2 1 333.220 3.300 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000178009162 323349540 /nfs/dbraw/zinc/34/95/40/323349540.db2.gz ASTCOJCONVHXSV-MLGOLLRUSA-N 2 1 343.284 3.451 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)[C@H](C)C1 ZINC000178396716 323356856 /nfs/dbraw/zinc/35/68/56/323356856.db2.gz PUMPRDCJUUWWHO-IAQYHMDHSA-N 2 1 329.257 3.408 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)[C@H](C)C1 ZINC000178396716 323356860 /nfs/dbraw/zinc/35/68/60/323356860.db2.gz PUMPRDCJUUWWHO-IAQYHMDHSA-N 2 1 329.257 3.408 20 0 EGADMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)c2nc(COC)no2)CC1 ZINC000182512903 323557330 /nfs/dbraw/zinc/55/73/30/323557330.db2.gz TXYDUKRLQMJEGS-OAHLLOKOSA-N 2 1 338.496 3.111 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000379422751 324239930 /nfs/dbraw/zinc/23/99/30/324239930.db2.gz BDSCTDXMQFEELU-XYTVBORESA-N 2 1 339.524 3.237 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000379861556 324242793 /nfs/dbraw/zinc/24/27/93/324242793.db2.gz SHMQZGJDSKHZFC-NCOADZHNSA-N 2 1 339.524 3.285 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000379861556 324242797 /nfs/dbraw/zinc/24/27/97/324242797.db2.gz SHMQZGJDSKHZFC-NCOADZHNSA-N 2 1 339.524 3.285 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386593968 324268766 /nfs/dbraw/zinc/26/87/66/324268766.db2.gz SFVHTYIZZVLJJP-MWDXBVQZSA-N 2 1 339.524 3.237 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386593968 324268769 /nfs/dbraw/zinc/26/87/69/324268769.db2.gz SFVHTYIZZVLJJP-MWDXBVQZSA-N 2 1 339.524 3.237 20 0 EGADMP Cc1cc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)cn2cc[nH+]c12 ZINC000576918384 324705885 /nfs/dbraw/zinc/70/58/85/324705885.db2.gz FVMXPLLTTPPSHG-UHFFFAOYSA-N 2 1 329.448 3.029 20 0 EGADMP C[NH+]1CCN(c2ncc(C[NH+](CC(C)(C)C)CC(C)(C)C)cn2)CC1 ZINC000579764448 325155663 /nfs/dbraw/zinc/15/56/63/325155663.db2.gz HSMLUIULCLGPIN-UHFFFAOYSA-N 2 1 347.551 3.123 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cn1 ZINC000580288983 325229282 /nfs/dbraw/zinc/22/92/82/325229282.db2.gz JDMFOSXTBANLIC-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000581009653 325320745 /nfs/dbraw/zinc/32/07/45/325320745.db2.gz ZIFHSOHLJDQEIC-QFBILLFUSA-N 2 1 331.504 3.051 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000157830492 455237077 /nfs/dbraw/zinc/23/70/77/455237077.db2.gz ZXEWYPGHPNGOCX-MSOLQXFVSA-N 2 1 326.488 3.477 20 0 EGADMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1Br ZINC000158074555 455266499 /nfs/dbraw/zinc/26/64/99/455266499.db2.gz DMRULHJYBHMTBX-AWEZNQCLSA-N 2 1 341.293 3.231 20 0 EGADMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1Br ZINC000158074555 455266504 /nfs/dbraw/zinc/26/65/04/455266504.db2.gz DMRULHJYBHMTBX-AWEZNQCLSA-N 2 1 341.293 3.231 20 0 EGADMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000158074555 455266510 /nfs/dbraw/zinc/26/65/10/455266510.db2.gz DMRULHJYBHMTBX-AWEZNQCLSA-N 2 1 341.293 3.231 20 0 EGADMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000158074555 455266512 /nfs/dbraw/zinc/26/65/12/455266512.db2.gz DMRULHJYBHMTBX-AWEZNQCLSA-N 2 1 341.293 3.231 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000242389671 455271399 /nfs/dbraw/zinc/27/13/99/455271399.db2.gz ZZLFPKOPDFSOQE-FQEVSTJZSA-N 2 1 343.515 3.384 20 0 EGADMP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000159136918 455355156 /nfs/dbraw/zinc/35/51/56/455355156.db2.gz IMTIETYFXFUOMN-UXHICEINSA-N 2 1 343.515 3.019 20 0 EGADMP Cc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)ncc1Br ZINC000623544742 460605580 /nfs/dbraw/zinc/60/55/80/460605580.db2.gz JADFEKGJOKSCDG-UHFFFAOYSA-N 2 1 326.282 3.117 20 0 EGADMP Cc1sc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c(C)c1C ZINC000075645014 453914036 /nfs/dbraw/zinc/91/40/36/453914036.db2.gz ZQLLTFQMJHKCQZ-UHFFFAOYSA-N 2 1 337.533 3.276 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000067507180 453936330 /nfs/dbraw/zinc/93/63/30/453936330.db2.gz HVJNRCWRVAUYRQ-HXUWFJFHSA-N 2 1 339.483 3.481 20 0 EGADMP CC[N@@H+](CCCc1cnn(C)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076155042 453972525 /nfs/dbraw/zinc/97/25/25/453972525.db2.gz GGRRPXCCKAKANV-NRFANRHFSA-N 2 1 340.515 3.197 20 0 EGADMP CC[NH+](CCCc1cnn(C)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076155042 453972528 /nfs/dbraw/zinc/97/25/28/453972528.db2.gz GGRRPXCCKAKANV-NRFANRHFSA-N 2 1 340.515 3.197 20 0 EGADMP CC[NH+](CCCc1cnn(C)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076155042 453972529 /nfs/dbraw/zinc/97/25/29/453972529.db2.gz GGRRPXCCKAKANV-NRFANRHFSA-N 2 1 340.515 3.197 20 0 EGADMP c1cc2c(o1)CCC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000190929949 455407500 /nfs/dbraw/zinc/40/75/00/455407500.db2.gz VQNGBBYNEKFZAS-LJQANCHMSA-N 2 1 326.440 3.279 20 0 EGADMP CC(C)CC[N@@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000077211820 454075784 /nfs/dbraw/zinc/07/57/84/454075784.db2.gz FKCNEAPXUOEZAB-SFHVURJKSA-N 2 1 345.531 3.134 20 0 EGADMP CCC[C@H](CC)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000245917900 455399498 /nfs/dbraw/zinc/39/94/98/455399498.db2.gz QHSBRJHHBPVBGT-MOPGFXCFSA-N 2 1 331.504 3.052 20 0 EGADMP CCc1noc(-c2ccc(CC[NH2+][C@H]3CC[N@H+](CC)C[C@@H]3C)cc2)n1 ZINC000089551231 454161832 /nfs/dbraw/zinc/16/18/32/454161832.db2.gz SIMAPUYVPYPWLV-YJBOKZPZSA-N 2 1 342.487 3.161 20 0 EGADMP C[C@@H]1C[C@H](N(C)CC[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000089615095 454167629 /nfs/dbraw/zinc/16/76/29/454167629.db2.gz LWPYVRYFFLFCGS-HLAWJBBLSA-N 2 1 329.532 3.456 20 0 EGADMP C[C@@H]1C[C@H](N(C)CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000089615095 454167633 /nfs/dbraw/zinc/16/76/33/454167633.db2.gz LWPYVRYFFLFCGS-HLAWJBBLSA-N 2 1 329.532 3.456 20 0 EGADMP C[C@@H]1C[C@H](N(C)CC[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000089615095 454167636 /nfs/dbraw/zinc/16/76/36/454167636.db2.gz LWPYVRYFFLFCGS-HLAWJBBLSA-N 2 1 329.532 3.456 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000046007928 454205186 /nfs/dbraw/zinc/20/51/86/454205186.db2.gz MELMLTPSYSXBAU-QGZVFWFLSA-N 2 1 346.519 3.382 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]Cc1ccc3nccnc3c1)C2 ZINC000634950998 460627036 /nfs/dbraw/zinc/62/70/36/460627036.db2.gz JZFLUZKXFRCITM-UHFFFAOYSA-N 2 1 332.451 3.168 20 0 EGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+]Cc1ccc3nccnc3c1)C2 ZINC000634950998 460627044 /nfs/dbraw/zinc/62/70/44/460627044.db2.gz JZFLUZKXFRCITM-UHFFFAOYSA-N 2 1 332.451 3.168 20 0 EGADMP CCn1c2ccccc2c2cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)ccc21 ZINC000131403655 454251510 /nfs/dbraw/zinc/25/15/10/454251510.db2.gz GGZZQBNPKADNSP-NRFANRHFSA-N 2 1 339.483 3.217 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]Cc3ccc4nccnc4c3)C2)cc1 ZINC000634959105 460631401 /nfs/dbraw/zinc/63/14/01/460631401.db2.gz ICMOYCSHWDGQDA-HXUWFJFHSA-N 2 1 346.478 3.284 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000120934131 454366742 /nfs/dbraw/zinc/36/67/42/454366742.db2.gz UBVMWUGKFLKCIV-UFYCRDLUSA-N 2 1 326.484 3.198 20 0 EGADMP Cc1ccc([C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000062361260 454374282 /nfs/dbraw/zinc/37/42/82/454374282.db2.gz WQONPSALZINUNV-UXHICEINSA-N 2 1 339.483 3.017 20 0 EGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)CCCO2 ZINC000121423169 454432954 /nfs/dbraw/zinc/43/29/54/454432954.db2.gz WXHZGPYVNKXVCR-KDOFPFPSSA-N 2 1 329.444 3.340 20 0 EGADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CCCCC1 ZINC000063651745 454434257 /nfs/dbraw/zinc/43/42/57/454434257.db2.gz ZBHRIEYOMNHHLE-IBGZPJMESA-N 2 1 343.515 3.032 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000121453965 454437984 /nfs/dbraw/zinc/43/79/84/454437984.db2.gz VQQVYPNDBCBTAN-WBVHZDCISA-N 2 1 342.487 3.451 20 0 EGADMP CC[N@H+]1CCC[C@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000121817839 454480705 /nfs/dbraw/zinc/48/07/05/454480705.db2.gz UIXZZJADXNUJIY-HXUWFJFHSA-N 2 1 329.532 3.015 20 0 EGADMP Fc1c(Cl)cccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134127746 454506190 /nfs/dbraw/zinc/50/61/90/454506190.db2.gz SINKDHOJAIYLMA-UHFFFAOYSA-N 2 1 326.843 3.023 20 0 EGADMP CC[C@@]1(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CCC[NH2+]1 ZINC000134564059 454560840 /nfs/dbraw/zinc/56/08/40/454560840.db2.gz VTFGHLJZDUHNRW-UWJYYQICSA-N 2 1 343.515 3.067 20 0 EGADMP CO[C@@H](C)c1nc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cs1 ZINC000123148171 454608125 /nfs/dbraw/zinc/60/81/25/454608125.db2.gz DKZZBNPSCVZJSZ-AWEZNQCLSA-N 2 1 325.522 3.404 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2ccccc2C)CC1 ZINC000052209231 454661183 /nfs/dbraw/zinc/66/11/83/454661183.db2.gz YUASHYQVVOWIQZ-FQEVSTJZSA-N 2 1 348.531 3.179 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000093200770 454691390 /nfs/dbraw/zinc/69/13/90/454691390.db2.gz JXDVOMPMWFSPAG-QGZVFWFLSA-N 2 1 330.480 3.024 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000093200770 454691394 /nfs/dbraw/zinc/69/13/94/454691394.db2.gz JXDVOMPMWFSPAG-QGZVFWFLSA-N 2 1 330.480 3.024 20 0 EGADMP CCCC[N@@H+](CCOC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093323045 454702461 /nfs/dbraw/zinc/70/24/61/454702461.db2.gz SWQNLOXQZNEQLH-UHFFFAOYSA-N 2 1 347.547 3.466 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC3(CC2)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000161797868 454724732 /nfs/dbraw/zinc/72/47/32/454724732.db2.gz GJFWSQFIMUKKSA-XLIONFOSSA-N 2 1 344.499 3.315 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2CCC3(CC2)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000161797868 454724736 /nfs/dbraw/zinc/72/47/36/454724736.db2.gz GJFWSQFIMUKKSA-XLIONFOSSA-N 2 1 344.499 3.315 20 0 EGADMP Cc1nccn1CCC[N@H+](C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000136294086 454733469 /nfs/dbraw/zinc/73/34/69/454733469.db2.gz XTWZRLXMEUMJJC-CQSZACIVSA-N 2 1 348.878 3.044 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000136294086 454733472 /nfs/dbraw/zinc/73/34/72/454733472.db2.gz XTWZRLXMEUMJJC-CQSZACIVSA-N 2 1 348.878 3.044 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000136294086 454733474 /nfs/dbraw/zinc/73/34/74/454733474.db2.gz XTWZRLXMEUMJJC-CQSZACIVSA-N 2 1 348.878 3.044 20 0 EGADMP CCCCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124852029 454776084 /nfs/dbraw/zinc/77/60/84/454776084.db2.gz IQCVTQRIOYNNIB-RTBURBONSA-N 2 1 337.552 3.362 20 0 EGADMP CN(C(=O)c1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124850230 454776598 /nfs/dbraw/zinc/77/65/98/454776598.db2.gz XMENNROERFNTOI-UXHICEINSA-N 2 1 343.515 3.096 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCC(=O)Nc2c(C)cccc2C)C1 ZINC000137747894 454784733 /nfs/dbraw/zinc/78/47/33/454784733.db2.gz ANECVLIOCXTUFN-GOSISDBHSA-N 2 1 331.504 3.296 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCC(=O)Nc2c(C)cccc2C)C1 ZINC000137747894 454784734 /nfs/dbraw/zinc/78/47/34/454784734.db2.gz ANECVLIOCXTUFN-GOSISDBHSA-N 2 1 331.504 3.296 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2OCC)C1 ZINC000137738210 454785291 /nfs/dbraw/zinc/78/52/91/454785291.db2.gz MDYLPYGFQQIEPV-QGZVFWFLSA-N 2 1 347.503 3.078 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2OCC)C1 ZINC000137738210 454785296 /nfs/dbraw/zinc/78/52/96/454785296.db2.gz MDYLPYGFQQIEPV-QGZVFWFLSA-N 2 1 347.503 3.078 20 0 EGADMP C[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000138088163 454788718 /nfs/dbraw/zinc/78/87/18/454788718.db2.gz JVGGGQVAGNXXHA-ZWKOTPCHSA-N 2 1 326.488 3.436 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000125437089 454821160 /nfs/dbraw/zinc/82/11/60/454821160.db2.gz AVVGFFQXEBXJKU-UHFFFAOYSA-N 2 1 344.478 3.319 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000125437089 454821163 /nfs/dbraw/zinc/82/11/63/454821163.db2.gz AVVGFFQXEBXJKU-UHFFFAOYSA-N 2 1 344.478 3.319 20 0 EGADMP C[C@H]1C[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[N@H+]1C1CC1 ZINC000163260262 454834564 /nfs/dbraw/zinc/83/45/64/454834564.db2.gz PDFWAEPOSAEXBH-PIKOESSRSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[NH+]1C1CC1 ZINC000163260262 454834567 /nfs/dbraw/zinc/83/45/67/454834567.db2.gz PDFWAEPOSAEXBH-PIKOESSRSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[NH+]1C1CC1 ZINC000163260262 454834571 /nfs/dbraw/zinc/83/45/71/454834571.db2.gz PDFWAEPOSAEXBH-PIKOESSRSA-N 2 1 327.516 3.254 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+]CCCNc3ccccn3)CC2)cc1 ZINC000163804210 454865172 /nfs/dbraw/zinc/86/51/72/454865172.db2.gz OSTYKDHULAZLGM-UHFFFAOYSA-N 2 1 338.499 3.180 20 0 EGADMP C[NH+](C)CCC1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000111684889 454871607 /nfs/dbraw/zinc/87/16/07/454871607.db2.gz LJSDRKYJHNSNKC-UHFFFAOYSA-N 2 1 330.501 3.369 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cnn(C(C)C)c2)[C@H](C)C1 ZINC000164126328 454874933 /nfs/dbraw/zinc/87/49/33/454874933.db2.gz AIVXUICPFOVGCC-ZIFCJYIRSA-N 2 1 336.524 3.252 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cnn(C(C)C)c2)[C@H](C)C1 ZINC000164126328 454874937 /nfs/dbraw/zinc/87/49/37/454874937.db2.gz AIVXUICPFOVGCC-ZIFCJYIRSA-N 2 1 336.524 3.252 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2c(F)cccc2F)[C@H](C)C1 ZINC000164708573 454888039 /nfs/dbraw/zinc/88/80/39/454888039.db2.gz RRUPPMJKTJJOHC-BEFAXECRSA-N 2 1 340.458 3.234 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000165367040 454898650 /nfs/dbraw/zinc/89/86/50/454898650.db2.gz PTIFBHUMJVOSKT-QINHECLXSA-N 2 1 333.495 3.108 20 0 EGADMP Cc1ccnc(N2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)c1 ZINC000165975120 454906322 /nfs/dbraw/zinc/90/63/22/454906322.db2.gz USFXXRGYXPRDOA-UHFFFAOYSA-N 2 1 336.414 3.400 20 0 EGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000166064467 454907357 /nfs/dbraw/zinc/90/73/57/454907357.db2.gz FMAFNVVDYZPXNX-WMZOPIPTSA-N 2 1 331.504 3.093 20 0 EGADMP CC[C@H]1c2ccsc2CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000191445107 455485935 /nfs/dbraw/zinc/48/59/35/455485935.db2.gz YXQXJOIUWJBHKT-SFHVURJKSA-N 2 1 335.561 3.473 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000166435118 454911724 /nfs/dbraw/zinc/91/17/24/454911724.db2.gz CMLBHYFMMPWEEZ-ZDUSSCGKSA-N 2 1 348.288 3.429 20 0 EGADMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(OC(F)F)cc1 ZINC000151376455 454976861 /nfs/dbraw/zinc/97/68/61/454976861.db2.gz YZJOHASZRAEBNZ-QGZVFWFLSA-N 2 1 342.430 3.176 20 0 EGADMP Fc1ccc(-c2noc([C@@H]3CCC[N@@H+](CC4CC[NH2+]CC4)C3)n2)cc1 ZINC000178971324 454994817 /nfs/dbraw/zinc/99/48/17/454994817.db2.gz SZXQMRGIIUDEGE-MRXNPFEDSA-N 2 1 344.434 3.055 20 0 EGADMP Clc1ccc([C@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)cc1Cl ZINC000178971814 454994827 /nfs/dbraw/zinc/99/48/27/454994827.db2.gz KQGXRXDKUFYWJH-MRXNPFEDSA-N 2 1 329.271 3.366 20 0 EGADMP Clc1ccc([C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)cc1Cl ZINC000178971814 454994831 /nfs/dbraw/zinc/99/48/31/454994831.db2.gz KQGXRXDKUFYWJH-MRXNPFEDSA-N 2 1 329.271 3.366 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1)C1CC1 ZINC000155736236 455038301 /nfs/dbraw/zinc/03/83/01/455038301.db2.gz RTWGNDYUEUZZCS-FQEVSTJZSA-N 2 1 343.515 3.308 20 0 EGADMP Clc1ccccc1CN1CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000152408264 455114251 /nfs/dbraw/zinc/11/42/51/455114251.db2.gz BRCZUTVSEBOYTK-INIZCTEOSA-N 2 1 347.934 3.378 20 0 EGADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc1OC(F)F ZINC000152405151 455114484 /nfs/dbraw/zinc/11/44/84/455114484.db2.gz GRKVRFOZCKCVII-CHWSQXEVSA-N 2 1 340.414 3.432 20 0 EGADMP Cc1ccc2c(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)cc(=O)oc2c1C ZINC000152424429 455117420 /nfs/dbraw/zinc/11/74/20/455117420.db2.gz FVGUBJASVLMEAV-MRXNPFEDSA-N 2 1 328.456 3.183 20 0 EGADMP Cc1ccc2c(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)cc(=O)oc2c1C ZINC000152424429 455117425 /nfs/dbraw/zinc/11/74/25/455117425.db2.gz FVGUBJASVLMEAV-MRXNPFEDSA-N 2 1 328.456 3.183 20 0 EGADMP Cc1ccc2c(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)cc(=O)oc2c1C ZINC000152424429 455117429 /nfs/dbraw/zinc/11/74/29/455117429.db2.gz FVGUBJASVLMEAV-MRXNPFEDSA-N 2 1 328.456 3.183 20 0 EGADMP Cc1ccc2c(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)cc(=O)oc2c1C ZINC000152424429 455117432 /nfs/dbraw/zinc/11/74/32/455117432.db2.gz FVGUBJASVLMEAV-MRXNPFEDSA-N 2 1 328.456 3.183 20 0 EGADMP Clc1ccc(CN2CCC([NH2+]C[C@@H]3CCN(C4CC4)C3)CC2)cc1 ZINC000152438853 455119930 /nfs/dbraw/zinc/11/99/30/455119930.db2.gz ATJOAFQZAWYOFD-KRWDZBQOSA-N 3 1 347.934 3.378 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cnn1C ZINC000180158240 455141261 /nfs/dbraw/zinc/14/12/61/455141261.db2.gz VBLQCBHXVSXCTI-HGWQEYRNSA-N 2 1 338.499 3.290 20 0 EGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000623657480 460664521 /nfs/dbraw/zinc/66/45/21/460664521.db2.gz RMPPQRQXQWBXQK-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000623657480 460664528 /nfs/dbraw/zinc/66/45/28/460664528.db2.gz RMPPQRQXQWBXQK-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OC(F)F ZINC000172629415 455165374 /nfs/dbraw/zinc/16/53/74/455165374.db2.gz LXQSWNOIZMZWAB-AWEZNQCLSA-N 2 1 328.403 3.070 20 0 EGADMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OC(F)F ZINC000172629415 455165376 /nfs/dbraw/zinc/16/53/76/455165376.db2.gz LXQSWNOIZMZWAB-AWEZNQCLSA-N 2 1 328.403 3.070 20 0 EGADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1OC(F)F ZINC000172629415 455165378 /nfs/dbraw/zinc/16/53/78/455165378.db2.gz LXQSWNOIZMZWAB-AWEZNQCLSA-N 2 1 328.403 3.070 20 0 EGADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1OC(F)F ZINC000172629415 455165380 /nfs/dbraw/zinc/16/53/80/455165380.db2.gz LXQSWNOIZMZWAB-AWEZNQCLSA-N 2 1 328.403 3.070 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180442022 455170975 /nfs/dbraw/zinc/17/09/75/455170975.db2.gz KVWNDOZEMPWHKN-LIRRHRJNSA-N 2 1 341.434 3.079 20 0 EGADMP C[N@H+](CCOCC(F)(F)C(F)(F)F)CC[C@H]1CCCC[NH+]1C ZINC000189433333 455195813 /nfs/dbraw/zinc/19/58/13/455195813.db2.gz YRJQNFDUQPUAST-GFCCVEGCSA-N 2 1 332.357 3.007 20 0 EGADMP C[N@@H+](CCOCC(F)(F)C(F)(F)F)CC[C@H]1CCCC[NH+]1C ZINC000189433333 455195815 /nfs/dbraw/zinc/19/58/15/455195815.db2.gz YRJQNFDUQPUAST-GFCCVEGCSA-N 2 1 332.357 3.007 20 0 EGADMP C[NH+](CCOCC(F)(F)C(F)(F)F)CC[C@H]1CCCC[N@@H+]1C ZINC000189433333 455195816 /nfs/dbraw/zinc/19/58/16/455195816.db2.gz YRJQNFDUQPUAST-GFCCVEGCSA-N 2 1 332.357 3.007 20 0 EGADMP C[NH+](CCOCC(F)(F)C(F)(F)F)CC[C@H]1CCCC[N@H+]1C ZINC000189433333 455195817 /nfs/dbraw/zinc/19/58/17/455195817.db2.gz YRJQNFDUQPUAST-GFCCVEGCSA-N 2 1 332.357 3.007 20 0 EGADMP CCCN1CCN(c2ccc(NCc3ncc[nH]3)cc2Cl)CC1 ZINC000157372836 455188912 /nfs/dbraw/zinc/18/89/12/455188912.db2.gz MUKKFBKXNYFRSG-UHFFFAOYSA-N 2 1 333.867 3.207 20 0 EGADMP COc1ccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)c(OC2CCCC2)c1 ZINC000158715558 455324682 /nfs/dbraw/zinc/32/46/82/455324682.db2.gz NADQZIZVIZKVMH-KXBFYZLASA-N 2 1 332.488 3.446 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CCN(C)C[C@@H]2C)c(OC2CCCC2)c1 ZINC000158715558 455324686 /nfs/dbraw/zinc/32/46/86/455324686.db2.gz NADQZIZVIZKVMH-KXBFYZLASA-N 2 1 332.488 3.446 20 0 EGADMP CC1CC([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1 ZINC000184340741 455372165 /nfs/dbraw/zinc/37/21/65/455372165.db2.gz LFIZJQABXMEBSN-UHFFFAOYSA-N 2 1 332.488 3.064 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccn(-c4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000184623483 455415291 /nfs/dbraw/zinc/41/52/91/455415291.db2.gz GRDAGRYEHNFLKA-BEFAXECRSA-N 2 1 344.890 3.442 20 0 EGADMP CN(CC[N@@H+](C)[C@H]1CCc2c1cccc2Cl)C1CC[NH+](C)CC1 ZINC000246093711 455425323 /nfs/dbraw/zinc/42/53/23/455425323.db2.gz NZNBOEKSZMHSFJ-IBGZPJMESA-N 2 1 335.923 3.285 20 0 EGADMP COc1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000182261346 455474639 /nfs/dbraw/zinc/47/46/39/455474639.db2.gz HSBLBLUTRUDSLM-JXFKEZNVSA-N 2 1 340.467 3.113 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCC(=O)OCc1ccccc1 ZINC000182277531 455478243 /nfs/dbraw/zinc/47/82/43/455478243.db2.gz DXLFFQMSBZEIKV-LMMKCTJWSA-N 2 1 332.488 3.218 20 0 EGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cc(C)c(C(=O)OC)o1 ZINC000191517897 455492986 /nfs/dbraw/zinc/49/29/86/455492986.db2.gz IPRALAGDGNYSSS-UHFFFAOYSA-N 2 1 333.432 3.046 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C)c(C(=O)OC)o1 ZINC000191517897 455492989 /nfs/dbraw/zinc/49/29/89/455492989.db2.gz IPRALAGDGNYSSS-UHFFFAOYSA-N 2 1 333.432 3.046 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246566939 455508357 /nfs/dbraw/zinc/50/83/57/455508357.db2.gz XNNRJWZKCCMDFC-CYJAXWMASA-N 2 1 331.504 3.490 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000246566939 455508359 /nfs/dbraw/zinc/50/83/59/455508359.db2.gz XNNRJWZKCCMDFC-CYJAXWMASA-N 2 1 331.504 3.490 20 0 EGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000246705739 455518385 /nfs/dbraw/zinc/51/83/85/455518385.db2.gz ZOZAOKGJVROLME-AHRSYUTCSA-N 2 1 343.515 3.052 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246889715 455533214 /nfs/dbraw/zinc/53/32/14/455533214.db2.gz DSUNOAMJWIFKFP-WRJHFWDFSA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246889715 455533215 /nfs/dbraw/zinc/53/32/15/455533215.db2.gz DSUNOAMJWIFKFP-WRJHFWDFSA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246889715 455533216 /nfs/dbraw/zinc/53/32/16/455533216.db2.gz DSUNOAMJWIFKFP-WRJHFWDFSA-N 2 1 329.532 3.215 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000247110031 455560257 /nfs/dbraw/zinc/56/02/57/455560257.db2.gz SZYAFEFTXKDPKB-SBHAEUEKSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668055 455592280 /nfs/dbraw/zinc/59/22/80/455592280.db2.gz ZORBVYMCKNAHPR-IAGOWNOFSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185668055 455592282 /nfs/dbraw/zinc/59/22/82/455592282.db2.gz ZORBVYMCKNAHPR-IAGOWNOFSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H](N[C@@H](C)C(=O)N1CCCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185705700 455600899 /nfs/dbraw/zinc/60/08/99/455600899.db2.gz JOHLDQXYYIGYRP-SQNIBIBYSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185705700 455600901 /nfs/dbraw/zinc/60/09/01/455600901.db2.gz JOHLDQXYYIGYRP-SQNIBIBYSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185705700 455600905 /nfs/dbraw/zinc/60/09/05/455600905.db2.gz JOHLDQXYYIGYRP-SQNIBIBYSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185732015 455608637 /nfs/dbraw/zinc/60/86/37/455608637.db2.gz QJULDSSKUXSHBD-XWTMOSNGSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185732015 455608642 /nfs/dbraw/zinc/60/86/42/455608642.db2.gz QJULDSSKUXSHBD-XWTMOSNGSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000247557861 455624611 /nfs/dbraw/zinc/62/46/11/455624611.db2.gz UJZIDXJHEQDXRV-YYIAUSFCSA-N 2 1 325.541 3.026 20 0 EGADMP CC[N@H+]1CC[C@H](NCC2([NH+]3CCSCC3)CCCCC2)[C@@H](C)C1 ZINC000247962811 455660521 /nfs/dbraw/zinc/66/05/21/455660521.db2.gz GKOABNYTRJIBHR-ROUUACIJSA-N 2 1 339.593 3.058 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)[C@@H](C)C1 ZINC000247962811 455660525 /nfs/dbraw/zinc/66/05/25/455660525.db2.gz GKOABNYTRJIBHR-ROUUACIJSA-N 2 1 339.593 3.058 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)[C@@H](C)C1 ZINC000247962811 455660527 /nfs/dbraw/zinc/66/05/27/455660527.db2.gz GKOABNYTRJIBHR-ROUUACIJSA-N 2 1 339.593 3.058 20 0 EGADMP C[C@H](c1nc(Cc2ccccc2)no1)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247973588 455663166 /nfs/dbraw/zinc/66/31/66/455663166.db2.gz HNYGBNGLKWSOFF-NXHRZFHOSA-N 2 1 340.471 3.138 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(CC[NH+]4CCCCC4)CC[C@H]32)cc1 ZINC000248135756 455685507 /nfs/dbraw/zinc/68/55/07/455685507.db2.gz PAHVZLWWVMTYNO-FGZHOGPDSA-N 2 1 341.543 3.459 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccnn3C)CC2)cs1 ZINC000192853630 455707473 /nfs/dbraw/zinc/70/74/73/455707473.db2.gz WVGVUIXEYOFTTP-AWEZNQCLSA-N 2 1 347.532 3.002 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000268765340 455712753 /nfs/dbraw/zinc/71/27/53/455712753.db2.gz NJMRRCZGZFMLIU-UHFFFAOYSA-N 2 1 329.488 3.139 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCC(=O)OCc2ccccc2)[C@@H](C)C1 ZINC000248438591 455715502 /nfs/dbraw/zinc/71/55/02/455715502.db2.gz HWMVMJJKUKOYOI-PKOBYXMFSA-N 2 1 332.488 3.220 20 0 EGADMP C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248587633 455720879 /nfs/dbraw/zinc/72/08/79/455720879.db2.gz QJULDSSKUXSHBD-MHORFTMASA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248587633 455720884 /nfs/dbraw/zinc/72/08/84/455720884.db2.gz QJULDSSKUXSHBD-MHORFTMASA-N 2 1 335.536 3.019 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)cc1 ZINC000268919430 455730720 /nfs/dbraw/zinc/73/07/20/455730720.db2.gz JRHCVBKQMKJFQN-HNAYVOBHSA-N 2 1 344.528 3.269 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000248878700 455736483 /nfs/dbraw/zinc/73/64/83/455736483.db2.gz OSTNIMMOZASDKT-KZNAEPCWSA-N 2 1 334.504 3.059 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000248878700 455736485 /nfs/dbraw/zinc/73/64/85/455736485.db2.gz OSTNIMMOZASDKT-KZNAEPCWSA-N 2 1 334.504 3.059 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000248878700 455736486 /nfs/dbraw/zinc/73/64/86/455736486.db2.gz OSTNIMMOZASDKT-KZNAEPCWSA-N 2 1 334.504 3.059 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000248878700 455736488 /nfs/dbraw/zinc/73/64/88/455736488.db2.gz OSTNIMMOZASDKT-KZNAEPCWSA-N 2 1 334.504 3.059 20 0 EGADMP Cc1cccc(NC[C@H]2CCN([C@H](C)c3nc(C(C)C)no3)C2)n1 ZINC000249803880 455776530 /nfs/dbraw/zinc/77/65/30/455776530.db2.gz AXJQOQOZABBCFT-HUUCEWRRSA-N 2 1 329.448 3.391 20 0 EGADMP C[C@H](CC[S@](C)=O)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285007335 455776624 /nfs/dbraw/zinc/77/66/24/455776624.db2.gz GZSHFYCKDLGRDV-VHBXDSILSA-N 2 1 336.545 3.176 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000249854837 455778631 /nfs/dbraw/zinc/77/86/31/455778631.db2.gz CVQFIPVIRHWAFV-FGTMMUONSA-N 2 1 345.531 3.404 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249854837 455778634 /nfs/dbraw/zinc/77/86/34/455778634.db2.gz CVQFIPVIRHWAFV-FGTMMUONSA-N 2 1 345.531 3.404 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249854837 455778637 /nfs/dbraw/zinc/77/86/37/455778637.db2.gz CVQFIPVIRHWAFV-FGTMMUONSA-N 2 1 345.531 3.404 20 0 EGADMP Fc1ccc([C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2ncc[nH]2)cc1 ZINC000278177945 455779226 /nfs/dbraw/zinc/77/92/26/455779226.db2.gz BJOPNEUPJNKSHU-SFHVURJKSA-N 2 1 328.435 3.102 20 0 EGADMP C[C@H]1C[C@H](NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC[N@H+]1C ZINC000186570038 455795306 /nfs/dbraw/zinc/79/53/06/455795306.db2.gz GAQWAEWRBQVARI-XKQJLSEDSA-N 2 1 343.437 3.380 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000252528032 455820899 /nfs/dbraw/zinc/82/08/99/455820899.db2.gz DYRJVBKATGPLBN-AOIWGVFYSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000252528032 455820902 /nfs/dbraw/zinc/82/09/02/455820902.db2.gz DYRJVBKATGPLBN-AOIWGVFYSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000252528032 455820908 /nfs/dbraw/zinc/82/09/08/455820908.db2.gz DYRJVBKATGPLBN-AOIWGVFYSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000269300302 455830961 /nfs/dbraw/zinc/83/09/61/455830961.db2.gz XJKLHHISMCDCLR-LPHOPBHVSA-N 2 1 331.504 3.118 20 0 EGADMP Cc1ccc2c(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cc(=O)oc2c1C ZINC000285582343 455874422 /nfs/dbraw/zinc/87/44/22/455874422.db2.gz UBVPDDJXOWYOOG-JWTNVVGKSA-N 2 1 340.467 3.467 20 0 EGADMP Cc1ccc2c(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cc(=O)oc2c1C ZINC000285582343 455874429 /nfs/dbraw/zinc/87/44/29/455874429.db2.gz UBVPDDJXOWYOOG-JWTNVVGKSA-N 2 1 340.467 3.467 20 0 EGADMP Cc1ccc2c(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc(=O)oc2c1C ZINC000285582343 455874434 /nfs/dbraw/zinc/87/44/34/455874434.db2.gz UBVPDDJXOWYOOG-JWTNVVGKSA-N 2 1 340.467 3.467 20 0 EGADMP Cc1ccc2c(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc(=O)oc2c1C ZINC000285582343 455874436 /nfs/dbraw/zinc/87/44/36/455874436.db2.gz UBVPDDJXOWYOOG-JWTNVVGKSA-N 2 1 340.467 3.467 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000285786669 455916130 /nfs/dbraw/zinc/91/61/30/455916130.db2.gz UKLQZSJLPKXSTO-ROUUACIJSA-N 2 1 341.503 3.430 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000272334088 455918028 /nfs/dbraw/zinc/91/80/28/455918028.db2.gz YJUWFKWVHPXCJW-LZJOCLMNSA-N 2 1 345.531 3.032 20 0 EGADMP Cc1ccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1Cl ZINC000261725322 455935506 /nfs/dbraw/zinc/93/55/06/455935506.db2.gz MGUDDJLLLPRTNM-KRWDZBQOSA-N 2 1 335.879 3.051 20 0 EGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261749132 455941374 /nfs/dbraw/zinc/94/13/74/455941374.db2.gz PYCZPEGWVRLPSE-OAQYLSRUSA-N 2 1 340.515 3.400 20 0 EGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261749132 455941380 /nfs/dbraw/zinc/94/13/80/455941380.db2.gz PYCZPEGWVRLPSE-OAQYLSRUSA-N 2 1 340.515 3.400 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261820348 455953657 /nfs/dbraw/zinc/95/36/57/455953657.db2.gz PGXYPZBIHJPNOZ-LJQANCHMSA-N 2 1 346.906 3.372 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261820348 455953661 /nfs/dbraw/zinc/95/36/61/455953661.db2.gz PGXYPZBIHJPNOZ-LJQANCHMSA-N 2 1 346.906 3.372 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261820343 455953924 /nfs/dbraw/zinc/95/39/24/455953924.db2.gz PGXYPZBIHJPNOZ-IBGZPJMESA-N 2 1 346.906 3.372 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261820343 455953925 /nfs/dbraw/zinc/95/39/25/455953925.db2.gz PGXYPZBIHJPNOZ-IBGZPJMESA-N 2 1 346.906 3.372 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1(C(=O)OC)CCC1 ZINC000272485557 455966978 /nfs/dbraw/zinc/96/69/78/455966978.db2.gz JTVUAAFJYGQRMY-IBGZPJMESA-N 2 1 344.499 3.363 20 0 EGADMP c1ccc([C@@H]2C[N@H+](CCC[NH+]3CCCCC3)[C@@H]3CCOC[C@H]23)cc1 ZINC000286059557 455970253 /nfs/dbraw/zinc/97/02/53/455970253.db2.gz RLGKVHBKURRKKB-PWRODBHTSA-N 2 1 328.500 3.367 20 0 EGADMP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2SC)CC1 ZINC000262011244 455985181 /nfs/dbraw/zinc/98/51/81/455985181.db2.gz UHMPIXLSRVOHTH-AWEZNQCLSA-N 2 1 335.517 3.057 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000270647080 456004684 /nfs/dbraw/zinc/00/46/84/456004684.db2.gz KVYVYXHGYWFDOS-UHFFFAOYSA-N 2 1 332.423 3.070 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000270647080 456004686 /nfs/dbraw/zinc/00/46/86/456004686.db2.gz KVYVYXHGYWFDOS-UHFFFAOYSA-N 2 1 332.423 3.070 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262199591 456011791 /nfs/dbraw/zinc/01/17/91/456011791.db2.gz UVHZRNRBTCELFA-AHRSYUTCSA-N 2 1 343.515 3.064 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]1 ZINC000262443139 456037051 /nfs/dbraw/zinc/03/70/51/456037051.db2.gz TVOXJTIRRINOCV-ZWOKBUDYSA-N 2 1 343.515 3.065 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000262465784 456039028 /nfs/dbraw/zinc/03/90/28/456039028.db2.gz WHWSFWXQDGTCLA-PXNSSMCTSA-N 2 1 345.531 3.313 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])[C@H]1c1cccs1 ZINC000263116697 456096291 /nfs/dbraw/zinc/09/62/91/456096291.db2.gz AQEILAWQQXDDJM-YEWFCNIMSA-N 2 1 349.544 3.155 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000263308781 456124611 /nfs/dbraw/zinc/12/46/11/456124611.db2.gz YGSRGQIFDDZRPS-VELGLUOQSA-N 2 1 343.515 3.063 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000263359963 456132413 /nfs/dbraw/zinc/13/24/13/456132413.db2.gz TVYGCQKGTJODKR-AEFFLSMTSA-N 2 1 331.504 3.093 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2([S@](C)=O)CCC2)cc1 ZINC000281108256 456135450 /nfs/dbraw/zinc/13/54/50/456135450.db2.gz RKNPZCGGDWUNQX-FATZIPQQSA-N 2 1 331.485 3.133 20 0 EGADMP CC(C)(C)c1cnc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000333125580 456164333 /nfs/dbraw/zinc/16/43/33/456164333.db2.gz HFHIBKGDWMWHHZ-YOEHRIQHSA-N 2 1 337.533 3.159 20 0 EGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000301655025 456176177 /nfs/dbraw/zinc/17/61/77/456176177.db2.gz MEOXMAJKEMIGJM-TWMKSMIVSA-N 2 1 339.524 3.237 20 0 EGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000301655025 456176184 /nfs/dbraw/zinc/17/61/84/456176184.db2.gz MEOXMAJKEMIGJM-TWMKSMIVSA-N 2 1 339.524 3.237 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000236727599 456176277 /nfs/dbraw/zinc/17/62/77/456176277.db2.gz AYXCOKVJAUXHLX-LJQANCHMSA-N 2 1 331.504 3.067 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000281247599 456177881 /nfs/dbraw/zinc/17/78/81/456177881.db2.gz NPHDSBFIOWACDQ-AWEZNQCLSA-N 2 1 344.421 3.337 20 0 EGADMP COc1cc(C)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1C ZINC000273187380 456206833 /nfs/dbraw/zinc/20/68/33/456206833.db2.gz PDRDWFGULWNZDP-ROUUACIJSA-N 2 1 334.504 3.200 20 0 EGADMP C[C@H](O)c1ncc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000290085652 456236567 /nfs/dbraw/zinc/23/65/67/456236567.db2.gz QYMZZZWDQVMYFT-RDJZCZTQSA-N 2 1 345.512 3.150 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000290284427 456280264 /nfs/dbraw/zinc/28/02/64/456280264.db2.gz XNCMBOBULCHZNY-MJGOQNOKSA-N 2 1 326.488 3.373 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000290284427 456280265 /nfs/dbraw/zinc/28/02/65/456280265.db2.gz XNCMBOBULCHZNY-MJGOQNOKSA-N 2 1 326.488 3.373 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)s1 ZINC000352765616 456287077 /nfs/dbraw/zinc/28/70/77/456287077.db2.gz PXNGBQSMFBFXMA-QFBILLFUSA-N 2 1 345.512 3.462 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2c[nH]c3nccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000290322584 456290253 /nfs/dbraw/zinc/29/02/53/456290253.db2.gz ABBLMDBNZHORPJ-MAUKXSAKSA-N 2 1 335.455 3.101 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2c[nH]c3nccnc23)CC[N@H+]1Cc1ccccc1 ZINC000290322584 456290256 /nfs/dbraw/zinc/29/02/56/456290256.db2.gz ABBLMDBNZHORPJ-MAUKXSAKSA-N 2 1 335.455 3.101 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000352777007 456297258 /nfs/dbraw/zinc/29/72/58/456297258.db2.gz FPQNBZDMKDWSOY-YQVWRLOYSA-N 2 1 348.535 3.016 20 0 EGADMP COc1cccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000336790294 456308314 /nfs/dbraw/zinc/30/83/14/456308314.db2.gz KYHQYCHSHQTOPQ-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP COc1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000336790294 456308317 /nfs/dbraw/zinc/30/83/17/456308317.db2.gz KYHQYCHSHQTOPQ-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP C[NH+](C)Cc1cnc(CNc2ccc(CC[NH+]3CCCC3)cc2)s1 ZINC000352792911 456313858 /nfs/dbraw/zinc/31/38/58/456313858.db2.gz SYBSWMARDYSHCG-UHFFFAOYSA-N 2 1 344.528 3.455 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2cccs2)C[C@H]1C ZINC000342939769 456326203 /nfs/dbraw/zinc/32/62/03/456326203.db2.gz QAMZLNXOJWYJLH-GDBMZVCRSA-N 2 1 332.517 3.453 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2cccs2)C[C@H]1C ZINC000342939769 456326212 /nfs/dbraw/zinc/32/62/12/456326212.db2.gz QAMZLNXOJWYJLH-GDBMZVCRSA-N 2 1 332.517 3.453 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2-c2cccs2)C[C@H]1C ZINC000342939769 456326214 /nfs/dbraw/zinc/32/62/14/456326214.db2.gz QAMZLNXOJWYJLH-GDBMZVCRSA-N 2 1 332.517 3.453 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2cccs2)C[C@H]1C ZINC000342939769 456326222 /nfs/dbraw/zinc/32/62/22/456326222.db2.gz QAMZLNXOJWYJLH-GDBMZVCRSA-N 2 1 332.517 3.453 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000297956709 456332319 /nfs/dbraw/zinc/33/23/19/456332319.db2.gz WFAARUOGOKUFMA-CALCHBBNSA-N 2 1 343.515 3.335 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000297956709 456332329 /nfs/dbraw/zinc/33/23/29/456332329.db2.gz WFAARUOGOKUFMA-CALCHBBNSA-N 2 1 343.515 3.335 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000297994817 456339846 /nfs/dbraw/zinc/33/98/46/456339846.db2.gz YZKPFIRONYEMPH-RTBURBONSA-N 2 1 345.531 3.075 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000297994817 456339851 /nfs/dbraw/zinc/33/98/51/456339851.db2.gz YZKPFIRONYEMPH-RTBURBONSA-N 2 1 345.531 3.075 20 0 EGADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340247946 456340900 /nfs/dbraw/zinc/34/09/00/456340900.db2.gz SDWGPTLSWWKAHJ-DLVCFXQMSA-N 2 1 340.515 3.393 20 0 EGADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340247946 456340906 /nfs/dbraw/zinc/34/09/06/456340906.db2.gz SDWGPTLSWWKAHJ-DLVCFXQMSA-N 2 1 340.515 3.393 20 0 EGADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000297997862 456341364 /nfs/dbraw/zinc/34/13/64/456341364.db2.gz ZMUXJLBRTAPHQB-OAHLLOKOSA-N 2 1 326.444 3.062 20 0 EGADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000297997862 456341366 /nfs/dbraw/zinc/34/13/66/456341366.db2.gz ZMUXJLBRTAPHQB-OAHLLOKOSA-N 2 1 326.444 3.062 20 0 EGADMP COc1ccc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000352829933 456345023 /nfs/dbraw/zinc/34/50/23/456345023.db2.gz ITVATKBGLQKVNG-NRFANRHFSA-N 2 1 337.467 3.188 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000337546478 456370993 /nfs/dbraw/zinc/37/09/93/456370993.db2.gz OPNYZMYBGVDVAQ-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000337546478 456370997 /nfs/dbraw/zinc/37/09/97/456370997.db2.gz OPNYZMYBGVDVAQ-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP COc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(Br)c1 ZINC000290581973 456372578 /nfs/dbraw/zinc/37/25/78/456372578.db2.gz UQZURXPHKIGNNW-MLGOLLRUSA-N 2 1 341.293 3.230 20 0 EGADMP COc1ccc(C2CC([NH2+]Cc3ncc(C[NH+](C)C)s3)C2)cc1F ZINC000352869421 456377264 /nfs/dbraw/zinc/37/72/64/456377264.db2.gz XDPYCPOKFBAMBY-UHFFFAOYSA-N 2 1 349.475 3.388 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000340318195 456385260 /nfs/dbraw/zinc/38/52/60/456385260.db2.gz OFOFQXRWFSAXHN-PCCBWWKXSA-N 2 1 342.458 3.154 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000340318195 456385265 /nfs/dbraw/zinc/38/52/65/456385265.db2.gz OFOFQXRWFSAXHN-PCCBWWKXSA-N 2 1 342.458 3.154 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000290663626 456399289 /nfs/dbraw/zinc/39/92/89/456399289.db2.gz ZVHHVOLUHKTGDN-UWJYYQICSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000290663626 456399293 /nfs/dbraw/zinc/39/92/93/456399293.db2.gz ZVHHVOLUHKTGDN-UWJYYQICSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000290663626 456399296 /nfs/dbraw/zinc/39/92/96/456399296.db2.gz ZVHHVOLUHKTGDN-UWJYYQICSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000290663626 456399298 /nfs/dbraw/zinc/39/92/98/456399298.db2.gz ZVHHVOLUHKTGDN-UWJYYQICSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)n1cncn1 ZINC000290703764 456409918 /nfs/dbraw/zinc/40/99/18/456409918.db2.gz NMXFFPPSTZJMSG-LMMKCTJWSA-N 2 1 341.503 3.044 20 0 EGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)n1cncn1 ZINC000290703764 456409921 /nfs/dbraw/zinc/40/99/21/456409921.db2.gz NMXFFPPSTZJMSG-LMMKCTJWSA-N 2 1 341.503 3.044 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NCc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000353073631 456472340 /nfs/dbraw/zinc/47/23/40/456472340.db2.gz PYJHKRQVGPVXIY-OAHLLOKOSA-N 2 1 338.565 3.120 20 0 EGADMP Cc1cccc(C)c1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000303739552 456481489 /nfs/dbraw/zinc/48/14/89/456481489.db2.gz HYHDBWDHDMQIPR-BGYRXZFFSA-N 2 1 329.532 3.294 20 0 EGADMP CC1(c2ccccc2)CC([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000298596241 456497329 /nfs/dbraw/zinc/49/73/29/456497329.db2.gz YSXFFLWXEMXJPN-UHFFFAOYSA-N 2 1 328.500 3.341 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1csc(Cl)c1 ZINC000276558531 456514716 /nfs/dbraw/zinc/51/47/16/456514716.db2.gz RRIGGAAAALOVHP-CQDKDKBSSA-N 2 1 328.909 3.430 20 0 EGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000276560243 456515038 /nfs/dbraw/zinc/51/50/38/456515038.db2.gz GEVXBZDPLQAFPP-SLFFLAALSA-N 2 1 328.500 3.182 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000276560243 456515046 /nfs/dbraw/zinc/51/50/46/456515046.db2.gz GEVXBZDPLQAFPP-SLFFLAALSA-N 2 1 328.500 3.182 20 0 EGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000276560246 456515432 /nfs/dbraw/zinc/51/54/32/456515432.db2.gz GEVXBZDPLQAFPP-UFYCRDLUSA-N 2 1 328.500 3.182 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000276560246 456515439 /nfs/dbraw/zinc/51/54/39/456515439.db2.gz GEVXBZDPLQAFPP-UFYCRDLUSA-N 2 1 328.500 3.182 20 0 EGADMP C[N@@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353155110 456527046 /nfs/dbraw/zinc/52/70/46/456527046.db2.gz ODHVRVMXGKPYMZ-KXZRCVDZSA-N 2 1 344.499 3.301 20 0 EGADMP C[NH+](Cc1ccc(OC[C@H]2CCCO2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353155110 456527053 /nfs/dbraw/zinc/52/70/53/456527053.db2.gz ODHVRVMXGKPYMZ-KXZRCVDZSA-N 2 1 344.499 3.301 20 0 EGADMP C[NH+](Cc1ccc(OC[C@H]2CCCO2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353155110 456527059 /nfs/dbraw/zinc/52/70/59/456527059.db2.gz ODHVRVMXGKPYMZ-KXZRCVDZSA-N 2 1 344.499 3.301 20 0 EGADMP CCC[C@H]1CN(CCn2cc[nH+]c2C)CC[N@@H+]1Cc1ccccc1 ZINC000343394589 456588886 /nfs/dbraw/zinc/58/88/86/456588886.db2.gz CSGQTIKOBYACTB-FQEVSTJZSA-N 2 1 326.488 3.178 20 0 EGADMP CCC[C@H]1CN(CCn2cc[nH+]c2C)CC[N@H+]1Cc1ccccc1 ZINC000343394589 456588896 /nfs/dbraw/zinc/58/88/96/456588896.db2.gz CSGQTIKOBYACTB-FQEVSTJZSA-N 2 1 326.488 3.178 20 0 EGADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CC)CC2)c2ccccc21 ZINC000282751352 456613339 /nfs/dbraw/zinc/61/33/39/456613339.db2.gz ATBBXZWVDBWXDL-RBUKOAKNSA-N 2 1 330.472 3.242 20 0 EGADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000316765095 456615068 /nfs/dbraw/zinc/61/50/68/456615068.db2.gz DBTGYOGWONWBIA-BXUZGUMPSA-N 2 1 344.286 3.381 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c(O)c(OCC)c2)C1 ZINC000299165923 456624257 /nfs/dbraw/zinc/62/42/57/456624257.db2.gz OPOBWKKHJXUKJX-CYBMUJFWSA-N 2 1 326.868 3.266 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c(O)c(OCC)c2)C1 ZINC000299165923 456624262 /nfs/dbraw/zinc/62/42/62/456624262.db2.gz OPOBWKKHJXUKJX-CYBMUJFWSA-N 2 1 326.868 3.266 20 0 EGADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000338000347 456647080 /nfs/dbraw/zinc/64/70/80/456647080.db2.gz QOLWLVPNGONYIJ-HOTGVXAUSA-N 2 1 340.458 3.112 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000353459205 456700453 /nfs/dbraw/zinc/70/04/53/456700453.db2.gz LHTXQAOCXRPDAL-LMCOJAPRSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000299474808 456703740 /nfs/dbraw/zinc/70/37/40/456703740.db2.gz BDBHEJPOZAFQAC-INIZCTEOSA-N 2 1 347.528 3.048 20 0 EGADMP CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000340878293 456736066 /nfs/dbraw/zinc/73/60/66/456736066.db2.gz KKBDMZBPWGUMPX-GOSISDBHSA-N 2 1 348.535 3.103 20 0 EGADMP CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000340878293 456736072 /nfs/dbraw/zinc/73/60/72/456736072.db2.gz KKBDMZBPWGUMPX-GOSISDBHSA-N 2 1 348.535 3.103 20 0 EGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2ncnn2C(C)(C)C)CC1 ZINC000338300203 456758138 /nfs/dbraw/zinc/75/81/38/456758138.db2.gz YDWQNDNTISBEIA-UHFFFAOYSA-N 2 1 335.540 3.367 20 0 EGADMP C[C@H]1C[N@H+]([C@@H]2CCc3c2cccc3Cl)CCN1C1CC[NH+](C)CC1 ZINC000343714074 456768282 /nfs/dbraw/zinc/76/82/82/456768282.db2.gz POOQDTDJVMZCNM-MGPUTAFESA-N 2 1 347.934 3.428 20 0 EGADMP CC[C@]1(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CCC[NH2+]1 ZINC000343768535 456772087 /nfs/dbraw/zinc/77/20/87/456772087.db2.gz KIFPGSFTLLZYQS-DYESRHJHSA-N 2 1 343.515 3.209 20 0 EGADMP CSC1(C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC[NH+](C)CC1 ZINC000353633366 456817030 /nfs/dbraw/zinc/81/70/30/456817030.db2.gz WXKJXMJQEMJFMW-MRXNPFEDSA-N 2 1 348.491 3.055 20 0 EGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CC[C@H]4CCOC4)C3)CC2)cc1 ZINC000353649448 456829821 /nfs/dbraw/zinc/82/98/21/456829821.db2.gz XGDCOLRJMZWFMH-FQEVSTJZSA-N 2 1 328.500 3.401 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+]3CCC[C@H]3C2)C[N@@H+](Cc2ccccc2)C1 ZINC000344487362 456831792 /nfs/dbraw/zinc/83/17/92/456831792.db2.gz VIDYNMKKANAHQA-HZEGPAAWSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C[NH+](Cc2ccccc2)C1 ZINC000344487362 456831799 /nfs/dbraw/zinc/83/17/99/456831799.db2.gz VIDYNMKKANAHQA-HZEGPAAWSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C[NH+](Cc2ccccc2)C1 ZINC000344487362 456831805 /nfs/dbraw/zinc/83/18/05/456831805.db2.gz VIDYNMKKANAHQA-HZEGPAAWSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CN(Cc2ccccc2)C1 ZINC000344487362 456831807 /nfs/dbraw/zinc/83/18/07/456831807.db2.gz VIDYNMKKANAHQA-HZEGPAAWSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CN(Cc2ccccc2)C1 ZINC000344487362 456831811 /nfs/dbraw/zinc/83/18/11/456831811.db2.gz VIDYNMKKANAHQA-HZEGPAAWSA-N 2 1 327.516 3.113 20 0 EGADMP CC[NH+](CC)CCC[NH+]1CCC([C@@H](O)c2ccc(OC)cc2)CC1 ZINC000292029954 456834711 /nfs/dbraw/zinc/83/47/11/456834711.db2.gz YXQVPWNNKAKLRS-FQEVSTJZSA-N 2 1 334.504 3.173 20 0 EGADMP Cc1nccn1CCC[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000348756633 456843200 /nfs/dbraw/zinc/84/32/00/456843200.db2.gz PQYGDXDRTFKCHP-RTWAWAEBSA-N 2 1 340.515 3.254 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000348756633 456843206 /nfs/dbraw/zinc/84/32/06/456843206.db2.gz PQYGDXDRTFKCHP-RTWAWAEBSA-N 3 1 340.515 3.254 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000348756633 456843211 /nfs/dbraw/zinc/84/32/11/456843211.db2.gz PQYGDXDRTFKCHP-RTWAWAEBSA-N 3 1 340.515 3.254 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1C ZINC000338948980 456869677 /nfs/dbraw/zinc/86/96/77/456869677.db2.gz PYYMBHQMJYAPTG-GOEBONIOSA-N 2 1 332.517 3.453 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1C ZINC000338948980 456869683 /nfs/dbraw/zinc/86/96/83/456869683.db2.gz PYYMBHQMJYAPTG-GOEBONIOSA-N 2 1 332.517 3.453 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1C ZINC000338948980 456869691 /nfs/dbraw/zinc/86/96/91/456869691.db2.gz PYYMBHQMJYAPTG-GOEBONIOSA-N 2 1 332.517 3.453 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1C ZINC000338948980 456869697 /nfs/dbraw/zinc/86/96/97/456869697.db2.gz PYYMBHQMJYAPTG-GOEBONIOSA-N 2 1 332.517 3.453 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)CC(C)C ZINC000353845539 456932949 /nfs/dbraw/zinc/93/29/49/456932949.db2.gz OJUAKALPOLJABR-RBUKOAKNSA-N 2 1 333.520 3.162 20 0 EGADMP C[C@H](Cn1cccn1)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000345155485 456945514 /nfs/dbraw/zinc/94/55/14/456945514.db2.gz IRFWHKFXWPWZEU-QZTJIDSGSA-N 2 1 326.488 3.293 20 0 EGADMP CCC(CC)C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000349412324 456965849 /nfs/dbraw/zinc/96/58/49/456965849.db2.gz BSLRKQMZXBZXAY-IRXDYDNUSA-N 2 1 326.525 3.013 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(-n3nc(C)cc3C)cc2)[C@H](C)C1 ZINC000345205326 456966957 /nfs/dbraw/zinc/96/69/57/456966957.db2.gz KACZCSNXUVPUQZ-IIBYNOLFSA-N 2 1 340.515 3.352 20 0 EGADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC000353933573 456970597 /nfs/dbraw/zinc/97/05/97/456970597.db2.gz QACOABUBHTUKMU-NZSAHSFTSA-N 2 1 332.488 3.076 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000354078657 457047247 /nfs/dbraw/zinc/04/72/47/457047247.db2.gz VXBYGYIDLCGCGX-OAHLLOKOSA-N 2 1 328.859 3.412 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000354078657 457047252 /nfs/dbraw/zinc/04/72/52/457047252.db2.gz VXBYGYIDLCGCGX-OAHLLOKOSA-N 2 1 328.859 3.412 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000354088322 457054130 /nfs/dbraw/zinc/05/41/30/457054130.db2.gz OAVJDTWQNUDXHZ-IBGZPJMESA-N 2 1 343.471 3.274 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000354088322 457054135 /nfs/dbraw/zinc/05/41/35/457054135.db2.gz OAVJDTWQNUDXHZ-IBGZPJMESA-N 2 1 343.471 3.274 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000354100391 457061669 /nfs/dbraw/zinc/06/16/69/457061669.db2.gz LYSYBZDAGNMHPI-IBGZPJMESA-N 2 1 327.472 3.168 20 0 EGADMP CCC[N@@H+](C)CC(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1 ZINC000359260163 457070920 /nfs/dbraw/zinc/07/09/20/457070920.db2.gz BMXBMDWOINUAFT-UHFFFAOYSA-N 2 1 344.503 3.263 20 0 EGADMP CC(C)OCC[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000349885338 457092944 /nfs/dbraw/zinc/09/29/44/457092944.db2.gz SHMULHSBZINPOQ-OAQYLSRUSA-N 2 1 348.531 3.006 20 0 EGADMP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000342080009 457096520 /nfs/dbraw/zinc/09/65/20/457096520.db2.gz FPIRKPCUFGPEPD-OTRWWLKZSA-N 2 1 326.444 3.165 20 0 EGADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000342080009 457096523 /nfs/dbraw/zinc/09/65/23/457096523.db2.gz FPIRKPCUFGPEPD-OTRWWLKZSA-N 2 1 326.444 3.165 20 0 EGADMP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000342080006 457096820 /nfs/dbraw/zinc/09/68/20/457096820.db2.gz FPIRKPCUFGPEPD-NXNVCVFFSA-N 2 1 326.444 3.165 20 0 EGADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000342080006 457096827 /nfs/dbraw/zinc/09/68/27/457096827.db2.gz FPIRKPCUFGPEPD-NXNVCVFFSA-N 2 1 326.444 3.165 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3cccc4ccccc43)C[C@@H]21 ZINC000342105130 457110264 /nfs/dbraw/zinc/11/02/64/457110264.db2.gz NVELNBXHOIJXPR-YTQUADARSA-N 2 1 337.467 3.228 20 0 EGADMP C[C@@H]1C[C@@H](NC2CC[NH+](C3CCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000346701185 457118429 /nfs/dbraw/zinc/11/84/29/457118429.db2.gz RGIATWGGPZPMLF-YLJYHZDGSA-N 2 1 327.516 3.256 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(OCC(F)(F)F)c3)C[C@H]21 ZINC000342127340 457123672 /nfs/dbraw/zinc/12/36/72/457123672.db2.gz MEYXHOGHWWOHGR-FVQBIDKESA-N 2 1 328.378 3.187 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(OCc4ccccn4)c3)C[C@H]21 ZINC000346841856 457181594 /nfs/dbraw/zinc/18/15/94/457181594.db2.gz HMRMZQOLPAKTDN-IOMROCGXSA-N 2 1 337.467 3.220 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(OCc4ccccn4)c3)C[C@@H]21 ZINC000346841854 457181765 /nfs/dbraw/zinc/18/17/65/457181765.db2.gz HMRMZQOLPAKTDN-DZFGPLHGSA-N 2 1 337.467 3.220 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346851406 457184029 /nfs/dbraw/zinc/18/40/29/457184029.db2.gz JQMIWLBIIBLKRO-GDIGMMSISA-N 2 1 344.890 3.393 20 0 EGADMP Cc1nc(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(C)o1 ZINC000356878327 457193748 /nfs/dbraw/zinc/19/37/48/457193748.db2.gz SRRPTAHGTJLCMY-IRFCIJBXSA-N 2 1 339.483 3.334 20 0 EGADMP FC(F)(F)c1csc([C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000347003443 457196511 /nfs/dbraw/zinc/19/65/11/457196511.db2.gz LKTFJZLBROOQLH-NWDGAFQWSA-N 2 1 333.423 3.341 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000347067338 457213805 /nfs/dbraw/zinc/21/38/05/457213805.db2.gz MLICNAWXOTYKFP-UONOGXRCSA-N 2 1 332.879 3.300 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000347067338 457213810 /nfs/dbraw/zinc/21/38/10/457213810.db2.gz MLICNAWXOTYKFP-UONOGXRCSA-N 2 1 332.879 3.300 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC000339690449 457215888 /nfs/dbraw/zinc/21/58/88/457215888.db2.gz DNBRTYVJGWGLPD-ZIFCJYIRSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000339690449 457215895 /nfs/dbraw/zinc/21/58/95/457215895.db2.gz DNBRTYVJGWGLPD-ZIFCJYIRSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000339690449 457215899 /nfs/dbraw/zinc/21/58/99/457215899.db2.gz DNBRTYVJGWGLPD-ZIFCJYIRSA-N 2 1 345.531 3.162 20 0 EGADMP Cc1cnc([C@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000357011731 457276273 /nfs/dbraw/zinc/27/62/73/457276273.db2.gz YAVUFZKARWDXDB-BBWFWOEESA-N 2 1 335.492 3.255 20 0 EGADMP Cc1cnc([C@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000357011731 457276280 /nfs/dbraw/zinc/27/62/80/457276280.db2.gz YAVUFZKARWDXDB-BBWFWOEESA-N 2 1 335.492 3.255 20 0 EGADMP CC(C)(C[NH2+]Cc1cnn(-c2ccc(F)cc2)c1)C[NH+]1CCCC1 ZINC000360166768 457285495 /nfs/dbraw/zinc/28/54/95/457285495.db2.gz RTPHZALVJQBEKJ-UHFFFAOYSA-N 2 1 330.451 3.223 20 0 EGADMP CCc1ccc([C@H](CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)[NH+](C)C)cc1 ZINC000357044447 457296046 /nfs/dbraw/zinc/29/60/46/457296046.db2.gz LUIXCFUIFNBPEE-CLWJZODNSA-N 2 1 345.531 3.229 20 0 EGADMP CC(C)[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354658322 457302003 /nfs/dbraw/zinc/30/20/03/457302003.db2.gz QRFHXNRTXNENFN-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)N2CCCCC2)CC1)CC1CC1 ZINC000357074159 457309128 /nfs/dbraw/zinc/30/91/28/457309128.db2.gz GCYXGFGHWDDXGD-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000340115205 457336649 /nfs/dbraw/zinc/33/66/49/457336649.db2.gz KVPSYLJWPMXVPC-PMACEKPBSA-N 2 1 345.531 3.300 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000355383468 457368011 /nfs/dbraw/zinc/36/80/11/457368011.db2.gz SLIMAPXIRHXCBX-BBRMVZONSA-N 2 1 339.911 3.226 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1)C(C)C ZINC000357313403 457440640 /nfs/dbraw/zinc/44/06/40/457440640.db2.gz XEMRKEXZQMYGKI-JTDSTZFVSA-N 2 1 331.504 3.033 20 0 EGADMP CC1(C)[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C[C@H]1Oc1ccccc1 ZINC000342696341 457461292 /nfs/dbraw/zinc/46/12/92/457461292.db2.gz CXQQGEBCJXPORJ-MISYRCLQSA-N 2 1 346.515 3.059 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCc1ccc(F)cc1Cl ZINC000356124177 457467386 /nfs/dbraw/zinc/46/73/86/457467386.db2.gz PBMWIJUNVARUBU-NJAFHUGGSA-N 2 1 340.870 3.205 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCc1ccc(F)cc1Cl ZINC000356124177 457467391 /nfs/dbraw/zinc/46/73/91/457467391.db2.gz PBMWIJUNVARUBU-NJAFHUGGSA-N 2 1 340.870 3.205 20 0 EGADMP CSC1(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC000356141403 457481692 /nfs/dbraw/zinc/48/16/92/457481692.db2.gz VSJUHZRBZNRAPA-CALCHBBNSA-N 2 1 340.577 3.483 20 0 EGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1OC(F)F ZINC000397296685 457485981 /nfs/dbraw/zinc/48/59/81/457485981.db2.gz BRRFORVBZSSPMQ-DYEKYZERSA-N 2 1 328.403 3.102 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccccc2N(C)C)CC1 ZINC000347557425 457505778 /nfs/dbraw/zinc/50/57/78/457505778.db2.gz ABUODAZCTITOIN-UHFFFAOYSA-N 2 1 347.547 3.323 20 0 EGADMP CO[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)C1CC1 ZINC000425409152 457540398 /nfs/dbraw/zinc/54/03/98/457540398.db2.gz ABNFKUXODNSRIZ-PCCBWWKXSA-N 2 1 328.500 3.398 20 0 EGADMP C[NH+](C)Cc1cnc(CNc2cccc(CC[NH+]3CCCC3)c2)s1 ZINC000352726136 457562834 /nfs/dbraw/zinc/56/28/34/457562834.db2.gz REAYQBBVPROEDX-UHFFFAOYSA-N 2 1 344.528 3.455 20 0 EGADMP CN(C)c1cc[nH+]cc1CNC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000374279596 457565384 /nfs/dbraw/zinc/56/53/84/457565384.db2.gz KXSPBCTXIWBLBG-OAQYLSRUSA-N 2 1 338.499 3.149 20 0 EGADMP CC[C@@H](C)[C@H](C)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000347649909 457575182 /nfs/dbraw/zinc/57/51/82/457575182.db2.gz NDNTXTBCNZFRMM-MOPGFXCFSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC(C)(C)C[C@H]2c2ccccc2)CC1 ZINC000425543474 457590941 /nfs/dbraw/zinc/59/09/41/457590941.db2.gz PQEWSLQMXBOSQT-IBGZPJMESA-N 2 1 343.515 3.060 20 0 EGADMP Cc1ccc(OCCC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000374424356 457623146 /nfs/dbraw/zinc/62/31/46/457623146.db2.gz ZNCUSXJDGRIZEO-HLAWJBBLSA-N 2 1 346.515 3.256 20 0 EGADMP Cc1ccc(OCCC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000374424358 457623174 /nfs/dbraw/zinc/62/31/74/457623174.db2.gz ZNCUSXJDGRIZEO-SESVDKBCSA-N 2 1 346.515 3.256 20 0 EGADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)o1 ZINC000357792317 457691608 /nfs/dbraw/zinc/69/16/08/457691608.db2.gz KAOLJPSHBNBNMA-HNAYVOBHSA-N 2 1 327.472 3.477 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000364888206 457713364 /nfs/dbraw/zinc/71/33/64/457713364.db2.gz NBHAWBSHJXASRJ-MRXNPFEDSA-N 2 1 337.895 3.310 20 0 EGADMP Cc1cc(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c(C)s1 ZINC000425956085 457747170 /nfs/dbraw/zinc/74/71/70/457747170.db2.gz VLUYFMRGJCILGZ-FQEVSTJZSA-N 2 1 344.524 3.434 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2c2ccccc2)CC1 ZINC000375170626 457818982 /nfs/dbraw/zinc/81/89/82/457818982.db2.gz HUUXEIRRZZRMAJ-FQEVSTJZSA-N 2 1 343.515 3.203 20 0 EGADMP FC(F)n1c2ccccc2nc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358174485 457835721 /nfs/dbraw/zinc/83/57/21/457835721.db2.gz XBBWWLLQXBAUGB-ZIAGYGMSSA-N 2 1 334.414 3.190 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(F)cc2cccnc21 ZINC000371296370 457853350 /nfs/dbraw/zinc/85/33/50/457853350.db2.gz YWZFBXQXMBLHPL-QYZOEREBSA-N 2 1 343.446 3.057 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(F)cc2cccnc21 ZINC000371296370 457853354 /nfs/dbraw/zinc/85/33/54/457853354.db2.gz YWZFBXQXMBLHPL-QYZOEREBSA-N 2 1 343.446 3.057 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411330585 457859677 /nfs/dbraw/zinc/85/96/77/457859677.db2.gz LZOHDVVHCJSVPS-NRFANRHFSA-N 2 1 329.532 3.446 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411330585 457859682 /nfs/dbraw/zinc/85/96/82/457859682.db2.gz LZOHDVVHCJSVPS-NRFANRHFSA-N 3 1 329.532 3.446 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411330585 457859687 /nfs/dbraw/zinc/85/96/87/457859687.db2.gz LZOHDVVHCJSVPS-NRFANRHFSA-N 3 1 329.532 3.446 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411330585 457859690 /nfs/dbraw/zinc/85/96/90/457859690.db2.gz LZOHDVVHCJSVPS-NRFANRHFSA-N 3 1 329.532 3.446 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411330585 457859695 /nfs/dbraw/zinc/85/96/95/457859695.db2.gz LZOHDVVHCJSVPS-NRFANRHFSA-N 3 1 329.532 3.446 20 0 EGADMP C[N@H+](CCCCC(F)(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375280038 457863150 /nfs/dbraw/zinc/86/31/50/457863150.db2.gz QVBQTMLGEDCKPI-KRWDZBQOSA-N 2 1 344.421 3.288 20 0 EGADMP C[N@@H+](CCCCC(F)(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375280038 457863157 /nfs/dbraw/zinc/86/31/57/457863157.db2.gz QVBQTMLGEDCKPI-KRWDZBQOSA-N 2 1 344.421 3.288 20 0 EGADMP C[NH+](CCCCC(F)(F)F)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000375280038 457863164 /nfs/dbraw/zinc/86/31/64/457863164.db2.gz QVBQTMLGEDCKPI-KRWDZBQOSA-N 2 1 344.421 3.288 20 0 EGADMP C[NH+](CCCCC(F)(F)F)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000375280038 457863170 /nfs/dbraw/zinc/86/31/70/457863170.db2.gz QVBQTMLGEDCKPI-KRWDZBQOSA-N 2 1 344.421 3.288 20 0 EGADMP CC[N@H+]1CCC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000358231525 457875033 /nfs/dbraw/zinc/87/50/33/457875033.db2.gz TWDBREZTGCEGKY-TYPHKJRUSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000358231525 457875040 /nfs/dbraw/zinc/87/50/40/457875040.db2.gz TWDBREZTGCEGKY-TYPHKJRUSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000358231525 457875048 /nfs/dbraw/zinc/87/50/48/457875048.db2.gz TWDBREZTGCEGKY-TYPHKJRUSA-N 2 1 329.532 3.361 20 0 EGADMP COc1ccccc1-c1ccc([C@H](C)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358254465 457891314 /nfs/dbraw/zinc/89/13/14/457891314.db2.gz PRGLARGTVCUQMJ-KKSFZXQISA-N 2 1 340.467 3.079 20 0 EGADMP COc1ccccc1-c1ccc([C@H](C)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358254465 457891321 /nfs/dbraw/zinc/89/13/21/457891321.db2.gz PRGLARGTVCUQMJ-KKSFZXQISA-N 2 1 340.467 3.079 20 0 EGADMP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358254465 457891325 /nfs/dbraw/zinc/89/13/25/457891325.db2.gz PRGLARGTVCUQMJ-KKSFZXQISA-N 2 1 340.467 3.079 20 0 EGADMP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358254465 457891330 /nfs/dbraw/zinc/89/13/30/457891330.db2.gz PRGLARGTVCUQMJ-KKSFZXQISA-N 2 1 340.467 3.079 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1OC ZINC000358290983 457913374 /nfs/dbraw/zinc/91/33/74/457913374.db2.gz FLQRBQIQFBNELP-GBESFXJTSA-N 2 1 332.488 3.114 20 0 EGADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411565546 457920528 /nfs/dbraw/zinc/92/05/28/457920528.db2.gz VKELDPNOCIWZRX-KRWDZBQOSA-N 2 1 345.531 3.408 20 0 EGADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411565546 457920533 /nfs/dbraw/zinc/92/05/33/457920533.db2.gz VKELDPNOCIWZRX-KRWDZBQOSA-N 2 1 345.531 3.408 20 0 EGADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCc2cccc(COCC(F)(F)F)c2)C1 ZINC000358332366 457937728 /nfs/dbraw/zinc/93/77/28/457937728.db2.gz VZSTWZWPJGUYEG-CJNGLKHVSA-N 2 1 330.394 3.195 20 0 EGADMP C[C@@H]1OCC[C@]12C[N@H+](Cc1cccc(C[NH+]3CCCCC3)c1)CCO2 ZINC000411656486 457940136 /nfs/dbraw/zinc/94/01/36/457940136.db2.gz BLBVGIKPZJKKMR-RXVVDRJESA-N 2 1 344.499 3.052 20 0 EGADMP C[C@@H]1OCC[C@]12C[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)CCO2 ZINC000411656486 457940142 /nfs/dbraw/zinc/94/01/42/457940142.db2.gz BLBVGIKPZJKKMR-RXVVDRJESA-N 2 1 344.499 3.052 20 0 EGADMP Cc1oc2ccccc2c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371469577 457948253 /nfs/dbraw/zinc/94/82/53/457948253.db2.gz FTLQXNJZHPJICI-ZAAXVRCTSA-N 2 1 328.456 3.425 20 0 EGADMP CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000358379456 457965381 /nfs/dbraw/zinc/96/53/81/457965381.db2.gz FPQOEGRRIIGULK-IEBWSBKVSA-N 2 1 345.531 3.276 20 0 EGADMP CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000358379467 457965424 /nfs/dbraw/zinc/96/54/24/457965424.db2.gz FPQOEGRRIIGULK-PKOBYXMFSA-N 2 1 345.531 3.276 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000434579645 458018186 /nfs/dbraw/zinc/01/81/86/458018186.db2.gz BRNVGIFDDMDXTK-UHFFFAOYSA-N 2 1 333.451 3.023 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000434623935 458023935 /nfs/dbraw/zinc/02/39/35/458023935.db2.gz OCGFTFXYINABGI-FQEVSTJZSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@@H]1C[N@@H+](CCCc2ccccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371697420 458038915 /nfs/dbraw/zinc/03/89/15/458038915.db2.gz WAZNDKABMCIXIL-YLJYHZDGSA-N 2 1 349.950 3.230 20 0 EGADMP Cc1cnn(C)c1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000375738535 458044712 /nfs/dbraw/zinc/04/47/12/458044712.db2.gz PCHQHCQWYRBSID-HSALFYBXSA-N 2 1 338.499 3.119 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358522055 458054431 /nfs/dbraw/zinc/05/44/31/458054431.db2.gz ZJLIBCUMAGJXBN-INIZCTEOSA-N 2 1 343.515 3.214 20 0 EGADMP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428045939 458071581 /nfs/dbraw/zinc/07/15/81/458071581.db2.gz SEOSADKMXCCXSP-UYAOXDASSA-N 2 1 335.451 3.123 20 0 EGADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428045939 458071582 /nfs/dbraw/zinc/07/15/82/458071582.db2.gz SEOSADKMXCCXSP-UYAOXDASSA-N 2 1 335.451 3.123 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412131665 458103002 /nfs/dbraw/zinc/10/30/02/458103002.db2.gz PBERFQWJNAFWGM-YLJYHZDGSA-N 2 1 343.515 3.085 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000435369402 458119944 /nfs/dbraw/zinc/11/99/44/458119944.db2.gz FDWUIUZXSGARBZ-BFUOFWGJSA-N 2 1 346.906 3.371 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000435369402 458119947 /nfs/dbraw/zinc/11/99/47/458119947.db2.gz FDWUIUZXSGARBZ-BFUOFWGJSA-N 2 1 346.906 3.371 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OCC(F)(F)F ZINC000435377613 458126242 /nfs/dbraw/zinc/12/62/42/458126242.db2.gz DLWZFWSYGBMQDO-JSGCOSHPSA-N 2 1 346.393 3.196 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OCC(F)(F)F ZINC000435377613 458126251 /nfs/dbraw/zinc/12/62/51/458126251.db2.gz DLWZFWSYGBMQDO-JSGCOSHPSA-N 2 1 346.393 3.196 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000435380503 458128647 /nfs/dbraw/zinc/12/86/47/458128647.db2.gz OGYNUIAHNXVVJL-SWLSCSKDSA-N 2 1 332.879 3.312 20 0 EGADMP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)CC(C)(C)C[NH3+] ZINC000435381653 458131030 /nfs/dbraw/zinc/13/10/30/458131030.db2.gz XGKZJKMLLXICBY-UHFFFAOYSA-N 2 1 349.482 3.351 20 0 EGADMP Cc1nc(COc2ccc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cc2)cs1 ZINC000435391780 458136224 /nfs/dbraw/zinc/13/62/24/458136224.db2.gz UGBXKYHTKQBDDO-SNRMKQJTSA-N 2 1 343.496 3.200 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCSCc3ccccc3)C2)CC1 ZINC000369298663 458163240 /nfs/dbraw/zinc/16/32/40/458163240.db2.gz NQDXWULLYDJEHX-FQEVSTJZSA-N 2 1 347.572 3.020 20 0 EGADMP CC(C)[C@H](C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000376098312 458194665 /nfs/dbraw/zinc/19/46/65/458194665.db2.gz VFMJZSWUIOUGQT-RTWAWAEBSA-N 2 1 329.532 3.138 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000372192663 458225392 /nfs/dbraw/zinc/22/53/92/458225392.db2.gz VYRNRBQUNPAWHW-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000372192663 458225398 /nfs/dbraw/zinc/22/53/98/458225398.db2.gz VYRNRBQUNPAWHW-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000372192663 458225404 /nfs/dbraw/zinc/22/54/04/458225404.db2.gz VYRNRBQUNPAWHW-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CCc1nc(C)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000428982650 458246622 /nfs/dbraw/zinc/24/66/22/458246622.db2.gz UCQZWHVWQJPBJV-MOPGFXCFSA-N 2 1 339.483 3.499 20 0 EGADMP CCc1nc(C)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000428982650 458246627 /nfs/dbraw/zinc/24/66/27/458246627.db2.gz UCQZWHVWQJPBJV-MOPGFXCFSA-N 2 1 339.483 3.499 20 0 EGADMP CCc1nc(C)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000428982650 458246636 /nfs/dbraw/zinc/24/66/36/458246636.db2.gz UCQZWHVWQJPBJV-MOPGFXCFSA-N 2 1 339.483 3.499 20 0 EGADMP CCc1nc(C)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000428982650 458246641 /nfs/dbraw/zinc/24/66/41/458246641.db2.gz UCQZWHVWQJPBJV-MOPGFXCFSA-N 2 1 339.483 3.499 20 0 EGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000372333687 458279851 /nfs/dbraw/zinc/27/98/51/458279851.db2.gz RXCPUMIKQMCDDW-SIKLNZKXSA-N 2 1 343.559 3.343 20 0 EGADMP Cn1ccnc1[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000376426757 458297798 /nfs/dbraw/zinc/29/77/98/458297798.db2.gz LULJQTXBGWLNOG-CQSZACIVSA-N 2 1 346.862 3.282 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCSCc1ccccc1 ZINC000376490012 458316716 /nfs/dbraw/zinc/31/67/16/458316716.db2.gz FWPFTAKVEALRBI-AQNXPRMDSA-N 2 1 348.556 3.493 20 0 EGADMP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000459370396 458346498 /nfs/dbraw/zinc/34/64/98/458346498.db2.gz IGFBCKCUXAPEBJ-MSOLQXFVSA-N 2 1 341.543 3.337 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC)CC2)[C@H]1Sc1ccccc1 ZINC000459378705 458351624 /nfs/dbraw/zinc/35/16/24/458351624.db2.gz ZIXDUFCXMHTULI-IPMKNSEASA-N 2 1 334.529 3.399 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2C)[C@H]1Sc1ccccc1 ZINC000459389927 458355577 /nfs/dbraw/zinc/35/55/77/458355577.db2.gz OFYLYPXVTCHFMU-KZNAEPCWSA-N 2 1 331.485 3.119 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000372990294 458368741 /nfs/dbraw/zinc/36/87/41/458368741.db2.gz PGRDYNOBJHKVGZ-AZUAARDMSA-N 2 1 332.488 3.161 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000372990294 458368746 /nfs/dbraw/zinc/36/87/46/458368746.db2.gz PGRDYNOBJHKVGZ-AZUAARDMSA-N 2 1 332.488 3.161 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)CCN1C1CC[NH+](C)CC1 ZINC000459553983 458409016 /nfs/dbraw/zinc/40/90/16/458409016.db2.gz BRZZSGMJHRAZEN-QGZVFWFLSA-N 2 1 327.516 3.164 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423428302 458431327 /nfs/dbraw/zinc/43/13/27/458431327.db2.gz GJJVMVLDLCYYPB-FTRWYGJKSA-N 2 1 337.467 3.099 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423444952 458435087 /nfs/dbraw/zinc/43/50/87/458435087.db2.gz RQIGPVYDBSXDJE-KYNGSXCRSA-N 2 1 339.483 3.419 20 0 EGADMP Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCCS2 ZINC000423493928 458443689 /nfs/dbraw/zinc/44/36/89/458443689.db2.gz RJWQPDUBPLOZMX-DZGCQCFKSA-N 2 1 326.893 3.235 20 0 EGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000423507321 458446219 /nfs/dbraw/zinc/44/62/19/458446219.db2.gz IHVWPUJSZCRWDD-KXBFYZLASA-N 2 1 342.487 3.167 20 0 EGADMP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423510307 458447942 /nfs/dbraw/zinc/44/79/42/458447942.db2.gz JMZOVFJEBDXANG-WBMJQRKESA-N 2 1 349.475 3.287 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](NCCC[NH2+]C3CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000423556097 458457181 /nfs/dbraw/zinc/45/71/81/458457181.db2.gz MKLHEHNYBKEYKJ-PCCBWWKXSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCC[NH2+]C3CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000423556097 458457183 /nfs/dbraw/zinc/45/71/83/458457183.db2.gz MKLHEHNYBKEYKJ-PCCBWWKXSA-N 3 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC[NH2+]C3CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000423556097 458457187 /nfs/dbraw/zinc/45/71/87/458457187.db2.gz MKLHEHNYBKEYKJ-PCCBWWKXSA-N 3 1 327.516 3.161 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000459743188 458466431 /nfs/dbraw/zinc/46/64/31/458466431.db2.gz WVRXJKCLTYJMRK-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000430581460 458466538 /nfs/dbraw/zinc/46/65/38/458466538.db2.gz ONVNHEYTPQNKFP-CHWSQXEVSA-N 2 1 343.393 3.093 20 0 EGADMP [NH3+]CCCOC1CC[NH+](Cc2csc(-c3ccccc3F)n2)CC1 ZINC000430590728 458467785 /nfs/dbraw/zinc/46/77/85/458467785.db2.gz IKPRLQDEDXBFFE-UHFFFAOYSA-N 2 1 349.475 3.279 20 0 EGADMP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C12CCC2 ZINC000459773819 458475462 /nfs/dbraw/zinc/47/54/62/458475462.db2.gz IWUMCXMUHZQNNJ-VQTJNVASSA-N 2 1 346.490 3.380 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000423730347 458476383 /nfs/dbraw/zinc/47/63/83/458476383.db2.gz POCJRLQBVRNTPH-FGTMMUONSA-N 2 1 335.536 3.150 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000430662665 458476359 /nfs/dbraw/zinc/47/63/59/458476359.db2.gz IOUMQTZZODIXDY-SFHVURJKSA-N 2 1 325.456 3.092 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000430662665 458476364 /nfs/dbraw/zinc/47/63/64/458476364.db2.gz IOUMQTZZODIXDY-SFHVURJKSA-N 2 1 325.456 3.092 20 0 EGADMP Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377335110 458496698 /nfs/dbraw/zinc/49/66/98/458496698.db2.gz FRZUEHOYCBZLAH-OALUTQOASA-N 2 1 325.456 3.245 20 0 EGADMP Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377335110 458496702 /nfs/dbraw/zinc/49/67/02/458496702.db2.gz FRZUEHOYCBZLAH-OALUTQOASA-N 2 1 325.456 3.245 20 0 EGADMP Cc1noc(C)c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377335110 458496705 /nfs/dbraw/zinc/49/67/05/458496705.db2.gz FRZUEHOYCBZLAH-OALUTQOASA-N 2 1 325.456 3.245 20 0 EGADMP Cc1noc(C)c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377335110 458496709 /nfs/dbraw/zinc/49/67/09/458496709.db2.gz FRZUEHOYCBZLAH-OALUTQOASA-N 2 1 325.456 3.245 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000460139993 458502254 /nfs/dbraw/zinc/50/22/54/458502254.db2.gz QPLDETJVQUXHTQ-HKUYNNGSSA-N 2 1 348.535 3.017 20 0 EGADMP C[C@H]([NH3+])C1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000430956129 458510000 /nfs/dbraw/zinc/51/00/00/458510000.db2.gz KCUBJLUWSNINIF-HNNXBMFYSA-N 2 1 329.513 3.488 20 0 EGADMP COc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000377763304 458516682 /nfs/dbraw/zinc/51/66/82/458516682.db2.gz OZJKEQKSAPBVAF-OALUTQOASA-N 2 1 337.467 3.044 20 0 EGADMP CCC[N@@H+](Cc1ccc(-n2nc(C)cc2C)cc1)C1CC[NH2+]CC1 ZINC000431088382 458527630 /nfs/dbraw/zinc/52/76/30/458527630.db2.gz WGEHJOWWVGPGII-UHFFFAOYSA-N 2 1 326.488 3.453 20 0 EGADMP CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1CC)C1CC[NH2+]CC1 ZINC000431092785 458527716 /nfs/dbraw/zinc/52/77/16/458527716.db2.gz FELDCTXUNLYOLS-QGZVFWFLSA-N 2 1 349.544 3.048 20 0 EGADMP CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1CC)C1CC[NH2+]CC1 ZINC000431092785 458527721 /nfs/dbraw/zinc/52/77/21/458527721.db2.gz FELDCTXUNLYOLS-QGZVFWFLSA-N 2 1 349.544 3.048 20 0 EGADMP CC[C@@H]1CN(c2cc(C)c3ccc(C)cc3n2)CC[N@H+]1C[C@@H](C)O ZINC000460943597 458541349 /nfs/dbraw/zinc/54/13/49/458541349.db2.gz MZYQTJCJPBAYMQ-IAGOWNOFSA-N 2 1 327.472 3.133 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCN1CCCCC1 ZINC000469760128 458590151 /nfs/dbraw/zinc/59/01/51/458590151.db2.gz HHAYTLQLRIOYGV-KXTWHKPSSA-N 2 1 329.532 3.219 20 0 EGADMP CCCc1csc(CN[C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)n1 ZINC000494045687 458619383 /nfs/dbraw/zinc/61/93/83/458619383.db2.gz BULODYJPKQHJOF-RDJZCZTQSA-N 2 1 339.549 3.322 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC(C)(C)C1 ZINC000462728985 458648758 /nfs/dbraw/zinc/64/87/58/458648758.db2.gz YIJAUOYZTMDTQS-QFUCXCTJSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC(C)(C)C1 ZINC000462728985 458648763 /nfs/dbraw/zinc/64/87/63/458648763.db2.gz YIJAUOYZTMDTQS-QFUCXCTJSA-N 2 1 330.516 3.428 20 0 EGADMP Cc1cc(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000462826590 458660118 /nfs/dbraw/zinc/66/01/18/458660118.db2.gz QIQKBXZLEXUFSF-LSDHHAIUSA-N 2 1 347.890 3.396 20 0 EGADMP Fc1ccc(CCN2CCC([NH2+]CCC[NH+]3CCCCC3)CC2)cc1 ZINC000463140319 458678377 /nfs/dbraw/zinc/67/83/77/458678377.db2.gz KZGQLXDEEUAWSV-UHFFFAOYSA-N 2 1 347.522 3.298 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C12CCCCC2 ZINC000432430663 458738625 /nfs/dbraw/zinc/73/86/25/458738625.db2.gz UDXNGSVNSGHPTB-GBESFXJTSA-N 2 1 338.536 3.205 20 0 EGADMP C[C@@H](NCC[NH+]1CCCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511521 458753264 /nfs/dbraw/zinc/75/32/64/458753264.db2.gz HLRUNRVUUHNMIW-TZIWHRDSSA-N 2 1 329.532 3.363 20 0 EGADMP C[C@@H](NCC[NH+]1CCCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511518 458753852 /nfs/dbraw/zinc/75/38/52/458753852.db2.gz HLRUNRVUUHNMIW-CTNGQTDRSA-N 2 1 329.532 3.363 20 0 EGADMP CC[C@H](C(=O)NC1CC[NH+](C2CCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000456726554 458764778 /nfs/dbraw/zinc/76/47/78/458764778.db2.gz JMIWFTRXIDUMHP-HXUWFJFHSA-N 2 1 343.515 3.030 20 0 EGADMP Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000472347745 458789496 /nfs/dbraw/zinc/78/94/96/458789496.db2.gz PZAPYKLPJRCYLM-QUCCMNQESA-N 2 1 339.483 3.268 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000495552581 458880931 /nfs/dbraw/zinc/88/09/31/458880931.db2.gz CEPORLURBGTXQU-DLBZAZTESA-N 2 1 339.524 3.098 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000495552581 458880936 /nfs/dbraw/zinc/88/09/36/458880936.db2.gz CEPORLURBGTXQU-DLBZAZTESA-N 2 1 339.524 3.098 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000474478311 458888232 /nfs/dbraw/zinc/88/82/32/458888232.db2.gz OMKUOFSMQLZMQO-CALCHBBNSA-N 2 1 344.478 3.469 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000474478311 458888235 /nfs/dbraw/zinc/88/82/35/458888235.db2.gz OMKUOFSMQLZMQO-CALCHBBNSA-N 2 1 344.478 3.469 20 0 EGADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000518980813 458904971 /nfs/dbraw/zinc/90/49/71/458904971.db2.gz NBUKPUTUDOXTKH-LJQANCHMSA-N 2 1 331.504 3.190 20 0 EGADMP CC(C)[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCCCC1 ZINC000475131081 458921633 /nfs/dbraw/zinc/92/16/33/458921633.db2.gz PYGHPKUVBCJSES-HXUWFJFHSA-N 2 1 345.531 3.449 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000519193412 458925699 /nfs/dbraw/zinc/92/56/99/458925699.db2.gz GJYZVXBQOSOLKK-QZTJIDSGSA-N 2 1 349.950 3.373 20 0 EGADMP CCc1cccc(Cl)c1C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000475706634 458958785 /nfs/dbraw/zinc/95/87/85/458958785.db2.gz ZFADOQNRSLDRHH-QGZVFWFLSA-N 2 1 335.923 3.114 20 0 EGADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000531715226 458965754 /nfs/dbraw/zinc/96/57/54/458965754.db2.gz CSRKSAWRWWVSFS-XJKSGUPXSA-N 2 1 330.394 3.324 20 0 EGADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000531715226 458965762 /nfs/dbraw/zinc/96/57/62/458965762.db2.gz CSRKSAWRWWVSFS-XJKSGUPXSA-N 2 1 330.394 3.324 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000566716887 458987841 /nfs/dbraw/zinc/98/78/41/458987841.db2.gz OKAPXFAFBTWAJO-RTWAWAEBSA-N 2 1 330.516 3.382 20 0 EGADMP C[N@@H+](CCCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000566736698 458991353 /nfs/dbraw/zinc/99/13/53/458991353.db2.gz KMNOZCNEYGDBHP-IBGZPJMESA-N 2 1 345.531 3.483 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)[C@H](C)C1 ZINC000495908372 459001437 /nfs/dbraw/zinc/00/14/37/459001437.db2.gz BEABWWPCOLXSAT-VQHPVUNQSA-N 2 1 339.524 3.094 20 0 EGADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCc3ccccc32)c2cccs2)CC1 ZINC000531932279 459001564 /nfs/dbraw/zinc/00/15/64/459001564.db2.gz BKBYURIJLDRBET-RTBURBONSA-N 2 1 341.524 3.314 20 0 EGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000566863618 459013292 /nfs/dbraw/zinc/01/32/92/459013292.db2.gz DPFOJGFHDVBKBN-INIZCTEOSA-N 2 1 337.895 3.453 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000566863618 459013294 /nfs/dbraw/zinc/01/32/94/459013294.db2.gz DPFOJGFHDVBKBN-INIZCTEOSA-N 2 1 337.895 3.453 20 0 EGADMP C[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442761384 459032706 /nfs/dbraw/zinc/03/27/06/459032706.db2.gz PWMAWHXUWQFCOQ-XYPWUTKMSA-N 2 1 346.862 3.147 20 0 EGADMP C[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442761384 459032711 /nfs/dbraw/zinc/03/27/11/459032711.db2.gz PWMAWHXUWQFCOQ-XYPWUTKMSA-N 2 1 346.862 3.147 20 0 EGADMP Cc1ccc([C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C2CCCC2)o1 ZINC000442871102 459049066 /nfs/dbraw/zinc/04/90/66/459049066.db2.gz HBAXZWSWSZTEQK-IBGZPJMESA-N 2 1 333.520 3.435 20 0 EGADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442876532 459050455 /nfs/dbraw/zinc/05/04/55/459050455.db2.gz PPUYHRYXENFNGH-IBGZPJMESA-N 2 1 329.532 3.296 20 0 EGADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442881431 459051719 /nfs/dbraw/zinc/05/17/19/459051719.db2.gz ZKODPGAVNGUUQN-HXUWFJFHSA-N 2 1 331.548 3.259 20 0 EGADMP Cc1ccc(CSCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000594490265 459057361 /nfs/dbraw/zinc/05/73/61/459057361.db2.gz KJZVWDIMBZORKI-FQEVSTJZSA-N 2 1 348.556 3.461 20 0 EGADMP Cc1ccc(CSCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000594490266 459057498 /nfs/dbraw/zinc/05/74/98/459057498.db2.gz KJZVWDIMBZORKI-HXUWFJFHSA-N 2 1 348.556 3.461 20 0 EGADMP CCOc1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1OC(F)F ZINC000442916691 459059707 /nfs/dbraw/zinc/05/97/07/459059707.db2.gz ACZSNYSRKVRUND-ZDUSSCGKSA-N 2 1 328.403 3.248 20 0 EGADMP COc1c(Br)cccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442928005 459062206 /nfs/dbraw/zinc/06/22/06/459062206.db2.gz PACCHCQACCCAFI-GFCCVEGCSA-N 2 1 327.266 3.019 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCc3cc(OC)ccc3C2)cc1 ZINC000557334589 459063433 /nfs/dbraw/zinc/06/34/33/459063433.db2.gz GKMQOPYIOLUVCA-LJQANCHMSA-N 2 1 340.467 3.195 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496120493 459074808 /nfs/dbraw/zinc/07/48/08/459074808.db2.gz HLLHPSYHHCWELD-DLBZAZTESA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496120493 459074815 /nfs/dbraw/zinc/07/48/15/459074815.db2.gz HLLHPSYHHCWELD-DLBZAZTESA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496120493 459074818 /nfs/dbraw/zinc/07/48/18/459074818.db2.gz HLLHPSYHHCWELD-DLBZAZTESA-N 2 1 339.524 3.098 20 0 EGADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060128 459081165 /nfs/dbraw/zinc/08/11/65/459081165.db2.gz OFDWWZQEWWPBPO-OLZOCXBDSA-N 2 1 343.393 3.093 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496160266 459092205 /nfs/dbraw/zinc/09/22/05/459092205.db2.gz SFVHTYIZZVLJJP-LUKYLMHMSA-N 2 1 339.524 3.237 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496160266 459092212 /nfs/dbraw/zinc/09/22/12/459092212.db2.gz SFVHTYIZZVLJJP-LUKYLMHMSA-N 2 1 339.524 3.237 20 0 EGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H](C)c1ccccc1 ZINC000532516940 459105341 /nfs/dbraw/zinc/10/53/41/459105341.db2.gz SAHSWBUKCAGQFF-XQBPLPMBSA-N 2 1 338.495 3.405 20 0 EGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H](C)c1ccccc1 ZINC000532516940 459105346 /nfs/dbraw/zinc/10/53/46/459105346.db2.gz SAHSWBUKCAGQFF-XQBPLPMBSA-N 2 1 338.495 3.405 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)cnn1-c1ccc(F)cc1 ZINC000567483250 459115117 /nfs/dbraw/zinc/11/51/17/459115117.db2.gz RADSCBWQHBGAIC-CQSZACIVSA-N 2 1 341.434 3.337 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000496284135 459135668 /nfs/dbraw/zinc/13/56/68/459135668.db2.gz NNPBXGZAXWSYQM-HZPDHXFCSA-N 2 1 331.460 3.026 20 0 EGADMP C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000496290729 459138084 /nfs/dbraw/zinc/13/80/84/459138084.db2.gz DQINMFVHZWMHDS-HOTGVXAUSA-N 2 1 339.524 3.144 20 0 EGADMP CC1CCC(O)(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000578064161 459139776 /nfs/dbraw/zinc/13/97/76/459139776.db2.gz WLCRAAXZYUQNGT-HFCFLWKCSA-N 2 1 336.545 3.491 20 0 EGADMP CC1CCC(O)(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000578064161 459139783 /nfs/dbraw/zinc/13/97/83/459139783.db2.gz WLCRAAXZYUQNGT-HFCFLWKCSA-N 2 1 336.545 3.491 20 0 EGADMP CC(C)C[C@H]1COCC[NH+]1CCCC[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000558528518 459171230 /nfs/dbraw/zinc/17/12/30/459171230.db2.gz HEEJTCMJNJNONF-PMACEKPBSA-N 2 1 340.552 3.260 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCC)[C@@H]2Oc2ccccc2)CC1 ZINC000480332613 459194434 /nfs/dbraw/zinc/19/44/34/459194434.db2.gz LBRDYSDEBNYCIF-VAMGGRTRSA-N 2 1 332.488 3.075 20 0 EGADMP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)N1CCCC1 ZINC000480539570 459203266 /nfs/dbraw/zinc/20/32/66/459203266.db2.gz VRXKTIBTAPIQKL-NQIIRXRSSA-N 2 1 347.547 3.398 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(OC)CCCCC2)[C@H](C)C1 ZINC000480694387 459214230 /nfs/dbraw/zinc/21/42/30/459214230.db2.gz PALOPKSFYKVVSQ-QZTJIDSGSA-N 2 1 326.525 3.062 20 0 EGADMP CC(C)N(C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC000590786677 459219132 /nfs/dbraw/zinc/21/91/32/459219132.db2.gz LUUYNEKXUUGZQM-UHFFFAOYSA-N 2 1 345.531 3.480 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000480909838 459223913 /nfs/dbraw/zinc/22/39/13/459223913.db2.gz HIVNKMIUNQHBLN-PMACEKPBSA-N 2 1 345.531 3.106 20 0 EGADMP C[C@]1(CO)CCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000568087095 459225598 /nfs/dbraw/zinc/22/55/98/459225598.db2.gz NPVBOSNJYKVWQB-VAMGGRTRSA-N 2 1 328.500 3.324 20 0 EGADMP C[C@]1(CO)CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000568087095 459225604 /nfs/dbraw/zinc/22/56/04/459225604.db2.gz NPVBOSNJYKVWQB-VAMGGRTRSA-N 2 1 328.500 3.324 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000522208525 459227412 /nfs/dbraw/zinc/22/74/12/459227412.db2.gz WWKUTZKSDCVYEK-GOSISDBHSA-N 2 1 335.536 3.166 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC(C[NH+](C)C(C)C)CC1)c1ccccc1 ZINC000590808607 459228911 /nfs/dbraw/zinc/22/89/11/459228911.db2.gz FMBHGEFDBXSCPB-FQEVSTJZSA-N 2 1 345.531 3.258 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)c1ccccc1 ZINC000590808607 459228921 /nfs/dbraw/zinc/22/89/21/459228921.db2.gz FMBHGEFDBXSCPB-FQEVSTJZSA-N 2 1 345.531 3.258 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC000590808607 459228929 /nfs/dbraw/zinc/22/89/29/459228929.db2.gz FMBHGEFDBXSCPB-FQEVSTJZSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC[N@@H+]1C ZINC000496530946 459229434 /nfs/dbraw/zinc/22/94/34/459229434.db2.gz UQIDAJXXEHOSPT-TWMKSMIVSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC[N@H+]1C ZINC000496530946 459229438 /nfs/dbraw/zinc/22/94/38/459229438.db2.gz UQIDAJXXEHOSPT-TWMKSMIVSA-N 2 1 339.524 3.094 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000590819021 459232547 /nfs/dbraw/zinc/23/25/47/459232547.db2.gz TYEYQJSEEWNDOV-FGTMMUONSA-N 2 1 337.552 3.217 20 0 EGADMP CC(C)c1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000595339721 459280120 /nfs/dbraw/zinc/28/01/20/459280120.db2.gz POOLRWQIVSZILQ-OAQYLSRUSA-N 2 1 329.532 3.410 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC2)cc1)C(C)C ZINC000523118065 459280832 /nfs/dbraw/zinc/28/08/32/459280832.db2.gz ZRFFIYCZWKNOBD-KRWDZBQOSA-N 2 1 331.504 3.131 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(OC)c1 ZINC000482131931 459291422 /nfs/dbraw/zinc/29/14/22/459291422.db2.gz YNDLOYXLIJBORP-QFBILLFUSA-N 2 1 347.503 3.124 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1cccc(C)c1 ZINC000482137214 459292153 /nfs/dbraw/zinc/29/21/53/459292153.db2.gz IPOBHTPIYQEBNK-VQTJNVASSA-N 2 1 345.531 3.101 20 0 EGADMP C[NH+](C)C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC000482978197 459333407 /nfs/dbraw/zinc/33/34/07/459333407.db2.gz MSTRQGRSUDOLBQ-KRWDZBQOSA-N 2 1 335.536 3.022 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2C)[C@@H](C)C1 ZINC000483636216 459378548 /nfs/dbraw/zinc/37/85/48/459378548.db2.gz MBKKYEFOHORNAU-ZCNNSNEGSA-N 2 1 348.531 3.489 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000569101336 459396078 /nfs/dbraw/zinc/39/60/78/459396078.db2.gz JPSBCTQARRAGEB-KVPLUYHFSA-N 2 1 343.515 3.330 20 0 EGADMP CSC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000569110982 459398405 /nfs/dbraw/zinc/39/84/05/459398405.db2.gz LRYKNNHCICSORF-IBGZPJMESA-N 2 1 336.545 3.265 20 0 EGADMP C[N@@H+](CCCC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000497013126 459406303 /nfs/dbraw/zinc/40/63/03/459406303.db2.gz FEWIAVOZKPJGGV-UHFFFAOYSA-N 2 1 339.524 3.098 20 0 EGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccc(N2CCOC2=O)c1 ZINC000497113432 459445042 /nfs/dbraw/zinc/44/50/42/459445042.db2.gz OLAYFLNBELVRED-KSSFIOAISA-N 2 1 331.460 3.201 20 0 EGADMP C/C(=C\c1ccccc1)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000525460443 459457883 /nfs/dbraw/zinc/45/78/83/459457883.db2.gz AUSDLFWHRCZWCO-SLTDHEAWSA-N 2 1 336.479 3.317 20 0 EGADMP C/C(=C\c1ccccc1)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000525460443 459457889 /nfs/dbraw/zinc/45/78/89/459457889.db2.gz AUSDLFWHRCZWCO-SLTDHEAWSA-N 2 1 336.479 3.317 20 0 EGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000497230211 459494891 /nfs/dbraw/zinc/49/48/91/459494891.db2.gz RSGIPGFFKLASEX-HNNXBMFYSA-N 2 1 327.513 3.096 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000497230211 459494896 /nfs/dbraw/zinc/49/48/96/459494896.db2.gz RSGIPGFFKLASEX-HNNXBMFYSA-N 2 1 327.513 3.096 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccc1Cl ZINC000541886235 459505725 /nfs/dbraw/zinc/50/57/25/459505725.db2.gz UEBFRFCKGSESNL-GOSISDBHSA-N 2 1 335.923 3.249 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000525996309 459527701 /nfs/dbraw/zinc/52/77/01/459527701.db2.gz GZCQNVMWAREKPC-DZFIZOCASA-N 2 1 346.515 3.322 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000583814698 459601418 /nfs/dbraw/zinc/60/14/18/459601418.db2.gz IJBUUMXQNUXFAR-SLYNCCJLSA-N 2 1 349.563 3.397 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)[C@@H]1c1cccs1 ZINC000583867303 459609164 /nfs/dbraw/zinc/60/91/64/459609164.db2.gz ZHNOVLPWRQVJGH-MRVWCRGKSA-N 2 1 336.423 3.034 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)[C@@H]1c1cccs1 ZINC000583867303 459609171 /nfs/dbraw/zinc/60/91/71/459609171.db2.gz ZHNOVLPWRQVJGH-MRVWCRGKSA-N 2 1 336.423 3.034 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000562736630 459636590 /nfs/dbraw/zinc/63/65/90/459636590.db2.gz NVGHXNBRHODJJA-CXUGJCBMSA-N 2 1 346.515 3.069 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000562736630 459636595 /nfs/dbraw/zinc/63/65/95/459636595.db2.gz NVGHXNBRHODJJA-CXUGJCBMSA-N 2 1 346.515 3.069 20 0 EGADMP CC[N@@H+](CCC(C)(C)C(=O)OC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000527511454 459651756 /nfs/dbraw/zinc/65/17/56/459651756.db2.gz QKVOSMVJZNMCTQ-LJQANCHMSA-N 2 1 346.515 3.420 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000562986889 459686917 /nfs/dbraw/zinc/68/69/17/459686917.db2.gz CPXUFQBMPHXHTH-QKLQHJQFSA-N 2 1 336.495 3.077 20 0 EGADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccc(F)cc1 ZINC000501074844 459709958 /nfs/dbraw/zinc/70/99/58/459709958.db2.gz HGCLOOFPAKWINV-UHFFFAOYSA-N 2 1 335.511 3.454 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1)C(C)C ZINC000563115203 459718181 /nfs/dbraw/zinc/71/81/81/459718181.db2.gz NUYXAFCITFMRSS-MJGOQNOKSA-N 2 1 331.504 3.164 20 0 EGADMP C[C@@H]1C[N@@H+]([C@H]2CCc3ccc(Cl)cc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000544129867 459732171 /nfs/dbraw/zinc/73/21/71/459732171.db2.gz NVNDUWZWLKMUFF-YSGRDPCXSA-N 2 1 347.934 3.285 20 0 EGADMP C[C@@H]1C[N@H+]([C@H]2CCc3ccc(Cl)cc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000544129867 459732175 /nfs/dbraw/zinc/73/21/75/459732175.db2.gz NVNDUWZWLKMUFF-YSGRDPCXSA-N 2 1 347.934 3.285 20 0 EGADMP CC(C)[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000584463852 459745817 /nfs/dbraw/zinc/74/58/17/459745817.db2.gz KRVSYQMNFYEORY-CUWPLCDZSA-N 2 1 329.532 3.047 20 0 EGADMP CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000584463852 459745822 /nfs/dbraw/zinc/74/58/22/459745822.db2.gz KRVSYQMNFYEORY-CUWPLCDZSA-N 2 1 329.532 3.047 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)[C@H]3CC34CC4)cc2)CC1 ZINC000527846640 459757351 /nfs/dbraw/zinc/75/73/51/459757351.db2.gz FUZXTWXACZBWCP-YLJYHZDGSA-N 2 1 327.516 3.102 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527859135 459761174 /nfs/dbraw/zinc/76/11/74/459761174.db2.gz CUJFOBFDKCQODT-RDTXWAMCSA-N 2 1 340.870 3.293 20 0 EGADMP CC(C)(C[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1)C(N)=O ZINC000574069984 459775621 /nfs/dbraw/zinc/77/56/21/459775621.db2.gz QPLGITQHKIITJW-YTQUADARSA-N 2 1 343.515 3.093 20 0 EGADMP CC(C)(C[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1)C(N)=O ZINC000574069984 459775625 /nfs/dbraw/zinc/77/56/25/459775625.db2.gz QPLGITQHKIITJW-YTQUADARSA-N 2 1 343.515 3.093 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000566295078 459837119 /nfs/dbraw/zinc/83/71/19/459837119.db2.gz PYADWWPQLICDNN-QRQLOZEOSA-N 2 1 335.536 3.007 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000586755769 459864563 /nfs/dbraw/zinc/86/45/63/459864563.db2.gz ZQXBOHKFIDLOTN-OWCLPIDISA-N 2 1 340.471 3.058 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000586755769 459864571 /nfs/dbraw/zinc/86/45/71/459864571.db2.gz ZQXBOHKFIDLOTN-OWCLPIDISA-N 2 1 340.471 3.058 20 0 EGADMP CC1CC[NH+](Cc2ccc(-c3noc([C@@H]4CC[N@@H+](C)C4)n3)cc2)CC1 ZINC000546294739 459908375 /nfs/dbraw/zinc/90/83/75/459908375.db2.gz PZEGVFWGNWKQLP-GOSISDBHSA-N 2 1 340.471 3.388 20 0 EGADMP C[NH+]1CCN([C@H](C[NH2+]C/C=C/c2ccccc2)c2cccs2)CC1 ZINC000588176997 459926648 /nfs/dbraw/zinc/92/66/48/459926648.db2.gz ZJDXBNUAAXSIMI-NTPDMAOXSA-N 2 1 341.524 3.340 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]CC[C@H](C)[NH+]2CCCCC2)c2ccccc21 ZINC000621759208 460052845 /nfs/dbraw/zinc/05/28/45/460052845.db2.gz RMJIMASRUSOTKL-LPHOPBHVSA-N 2 1 329.488 3.338 20 0 EGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000576033495 460056479 /nfs/dbraw/zinc/05/64/79/460056479.db2.gz LGHRPLUEQKYRBM-VBKZILBWSA-N 2 1 346.421 3.349 20 0 EGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000576033495 460056487 /nfs/dbraw/zinc/05/64/87/460056487.db2.gz LGHRPLUEQKYRBM-VBKZILBWSA-N 2 1 346.421 3.349 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000576033497 460056662 /nfs/dbraw/zinc/05/66/62/460056662.db2.gz LGHRPLUEQKYRBM-XOBRGWDASA-N 2 1 346.421 3.349 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000576033497 460056669 /nfs/dbraw/zinc/05/66/69/460056669.db2.gz LGHRPLUEQKYRBM-XOBRGWDASA-N 2 1 346.421 3.349 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000599311324 460225005 /nfs/dbraw/zinc/22/50/05/460225005.db2.gz OHFDRLVAHJTEGP-XLIONFOSSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000599311324 460225008 /nfs/dbraw/zinc/22/50/08/460225008.db2.gz OHFDRLVAHJTEGP-XLIONFOSSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000599311324 460225009 /nfs/dbraw/zinc/22/50/09/460225009.db2.gz OHFDRLVAHJTEGP-XLIONFOSSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC000599313945 460226857 /nfs/dbraw/zinc/22/68/57/460226857.db2.gz AUABLJSIGCFLSQ-VQIMIIECSA-N 2 1 329.488 3.484 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC000599313945 460226860 /nfs/dbraw/zinc/22/68/60/460226860.db2.gz AUABLJSIGCFLSQ-VQIMIIECSA-N 2 1 329.488 3.484 20 0 EGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC000599313945 460226863 /nfs/dbraw/zinc/22/68/63/460226863.db2.gz AUABLJSIGCFLSQ-VQIMIIECSA-N 2 1 329.488 3.484 20 0 EGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC000599313945 460226866 /nfs/dbraw/zinc/22/68/66/460226866.db2.gz AUABLJSIGCFLSQ-VQIMIIECSA-N 2 1 329.488 3.484 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599592487 460283488 /nfs/dbraw/zinc/28/34/88/460283488.db2.gz ZQNMSRBTZDQLLN-WBVHZDCISA-N 2 1 335.492 3.271 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599592487 460283493 /nfs/dbraw/zinc/28/34/93/460283493.db2.gz ZQNMSRBTZDQLLN-WBVHZDCISA-N 2 1 335.492 3.271 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599592486 460284184 /nfs/dbraw/zinc/28/41/84/460284184.db2.gz ZQNMSRBTZDQLLN-RDJZCZTQSA-N 2 1 335.492 3.271 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599592486 460284185 /nfs/dbraw/zinc/28/41/85/460284185.db2.gz ZQNMSRBTZDQLLN-RDJZCZTQSA-N 2 1 335.492 3.271 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1)C(C)C ZINC000603336770 460286665 /nfs/dbraw/zinc/28/66/65/460286665.db2.gz PAQOYSXQUXPKMS-KRWDZBQOSA-N 2 1 345.531 3.377 20 0 EGADMP CCOCC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1CCc2ccccc21 ZINC000625978014 460323153 /nfs/dbraw/zinc/32/31/53/460323153.db2.gz CVAFHTJLTXIQPT-HXUWFJFHSA-N 2 1 327.472 3.379 20 0 EGADMP CCOCC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1CCc2ccccc21 ZINC000625978014 460323157 /nfs/dbraw/zinc/32/31/57/460323157.db2.gz CVAFHTJLTXIQPT-HXUWFJFHSA-N 2 1 327.472 3.379 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1nccs1 ZINC000626062833 460359800 /nfs/dbraw/zinc/35/98/00/460359800.db2.gz ILJSUXDYFHERIC-CQSZACIVSA-N 2 1 346.500 3.054 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1nccs1 ZINC000626062833 460359804 /nfs/dbraw/zinc/35/98/04/460359804.db2.gz ILJSUXDYFHERIC-CQSZACIVSA-N 2 1 346.500 3.054 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000623085748 460406342 /nfs/dbraw/zinc/40/63/42/460406342.db2.gz CMCATEQIZUUWAF-UHFFFAOYSA-N 2 1 349.360 3.161 20 0 EGADMP CC(C)[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)cc1F ZINC000634680094 460473493 /nfs/dbraw/zinc/47/34/93/460473493.db2.gz KDNPSRINLNJRJF-IBGZPJMESA-N 2 1 339.474 3.279 20 0 EGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000629539986 460801241 /nfs/dbraw/zinc/80/12/41/460801241.db2.gz SVRWGMKEFVQQBN-NLWGTHIKSA-N 2 1 331.504 3.232 20 0 EGADMP COc1ccccc1CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565937 460813417 /nfs/dbraw/zinc/81/34/17/460813417.db2.gz XHQYITBOJHVRHZ-LSDHHAIUSA-N 2 1 330.394 3.087 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000624121458 460869801 /nfs/dbraw/zinc/86/98/01/460869801.db2.gz XBBROBIUNIFHKV-HOTGVXAUSA-N 2 1 344.503 3.353 20 0 EGADMP O=c1[nH]cccc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000624259523 460934523 /nfs/dbraw/zinc/93/45/23/460934523.db2.gz OIRHWRZVPKBSLO-SLFFLAALSA-N 2 1 337.467 3.178 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000635906817 460971417 /nfs/dbraw/zinc/97/14/17/460971417.db2.gz MURHFLPISHKPNV-MRXNPFEDSA-N 2 1 348.878 3.079 20 0 EGADMP CCOc1cncc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000621343651 460998402 /nfs/dbraw/zinc/99/84/02/460998402.db2.gz MFLRFHCUNMKJCC-YLJYHZDGSA-N 2 1 339.483 3.481 20 0 EGADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@H]1CC[N@H+]1C1CCCC1)CC2 ZINC000635990170 461000094 /nfs/dbraw/zinc/00/00/94/461000094.db2.gz MXTKIPNCVRWVQJ-LJQANCHMSA-N 2 1 347.547 3.116 20 0 EGADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000628186544 461038298 /nfs/dbraw/zinc/03/82/98/461038298.db2.gz NRAIXJWNNLKEKQ-SVFBPWRDSA-N 2 1 329.532 3.056 20 0 EGADMP Cc1cn2ccc(NC(=O)NC[C@H](c3ccsc3)N(C)C)cc2n1 ZINC000668151724 461138039 /nfs/dbraw/zinc/13/80/39/461138039.db2.gz NQNSHWHZUBOCLF-OAHLLOKOSA-N 2 1 343.456 3.129 20 0 EGADMP Cc1cccc(C)c1OCCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348981 461141431 /nfs/dbraw/zinc/14/14/31/461141431.db2.gz XXJMVRNHRSBRRY-SLFFLAALSA-N 2 1 346.515 3.291 20 0 EGADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349200 461142135 /nfs/dbraw/zinc/14/21/35/461142135.db2.gz FJXFCGQNJPOXMO-QXSJWSMHSA-N 2 1 335.492 3.251 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCc3c(F)cccc3Cl)C2)C1 ZINC000652348216 461143146 /nfs/dbraw/zinc/14/31/46/461143146.db2.gz XRSQIZQUJJOQAT-LBTNJELSSA-N 2 1 340.870 3.240 20 0 EGADMP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])co2)cc1 ZINC000652353803 461146513 /nfs/dbraw/zinc/14/65/13/461146513.db2.gz DJWLYAYAVMRSRZ-KBXCAEBGSA-N 2 1 329.444 3.300 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])co2)cc1 ZINC000652353803 461146518 /nfs/dbraw/zinc/14/65/18/461146518.db2.gz DJWLYAYAVMRSRZ-KBXCAEBGSA-N 2 1 329.444 3.300 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)[C@@H]1CC[NH3+] ZINC000652355367 461149187 /nfs/dbraw/zinc/14/91/87/461149187.db2.gz WNQKBYYJHHWYOQ-OXQOHEQNSA-N 2 1 338.499 3.310 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)[C@@H]1CC[NH3+] ZINC000652355367 461149201 /nfs/dbraw/zinc/14/92/01/461149201.db2.gz WNQKBYYJHHWYOQ-OXQOHEQNSA-N 2 1 338.499 3.310 20 0 EGADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000652354663 461150754 /nfs/dbraw/zinc/15/07/54/461150754.db2.gz DPTFRUPDPHVYQC-QFBILLFUSA-N 2 1 331.504 3.022 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2coc(-c3cccs3)n2)C1 ZINC000652363053 461157224 /nfs/dbraw/zinc/15/72/24/461157224.db2.gz WIXSKPZTUVHPLL-VNQPRFMTSA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2coc(-c3cccs3)n2)C1 ZINC000652363053 461157231 /nfs/dbraw/zinc/15/72/31/461157231.db2.gz WIXSKPZTUVHPLL-VNQPRFMTSA-N 2 1 347.484 3.264 20 0 EGADMP Fc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000662272334 461157998 /nfs/dbraw/zinc/15/79/98/461157998.db2.gz DWTJIHADHPFPEL-OLZOCXBDSA-N 2 1 328.378 3.249 20 0 EGADMP CCCCc1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000652363172 461158041 /nfs/dbraw/zinc/15/80/41/461158041.db2.gz ZNFFWRVUEWBNPB-DJIMGWMZSA-N 2 1 337.533 3.347 20 0 EGADMP CCCCc1nc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000652363172 461158045 /nfs/dbraw/zinc/15/80/45/461158045.db2.gz ZNFFWRVUEWBNPB-DJIMGWMZSA-N 2 1 337.533 3.347 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1 ZINC000646270708 461163128 /nfs/dbraw/zinc/16/31/28/461163128.db2.gz RQRXESUVYUMWFU-FQEVSTJZSA-N 2 1 344.499 3.018 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN([C@@H](c2nccn2C)C2CC2)C1 ZINC000637980735 461169527 /nfs/dbraw/zinc/16/95/27/461169527.db2.gz ZVJWXQDNHZFNQK-ZIFCJYIRSA-N 2 1 330.520 3.458 20 0 EGADMP C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291926 461169947 /nfs/dbraw/zinc/16/99/47/461169947.db2.gz ZMQMMBYUQONPHL-ZBFHGGJFSA-N 2 1 340.471 3.108 20 0 EGADMP C[N@H+]1CCC[C@@H]1CN1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000649552040 461171601 /nfs/dbraw/zinc/17/16/01/461171601.db2.gz VDWIRKSUNZLNHY-PWRODBHTSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1CCC[C@@H]1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000649552040 461171608 /nfs/dbraw/zinc/17/16/08/461171608.db2.gz VDWIRKSUNZLNHY-PWRODBHTSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1CCC[C@@H]1CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000649552040 461171616 /nfs/dbraw/zinc/17/16/16/461171616.db2.gz VDWIRKSUNZLNHY-PWRODBHTSA-N 2 1 327.516 3.067 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294549 461172626 /nfs/dbraw/zinc/17/26/26/461172626.db2.gz QSTPNYNAKFLTLJ-KRWDZBQOSA-N 2 1 347.478 3.174 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2F)[C@@H]1CCC[NH3+] ZINC000662317109 461187889 /nfs/dbraw/zinc/18/78/89/461187889.db2.gz ZOOLIUXVLOFVIY-MLGOLLRUSA-N 2 1 341.858 3.257 20 0 EGADMP COc1cc(C)c([C@@H](C)N2CCC([N@@H+](C)C[C@H](C)O)CC2)cc1C ZINC000638048845 461214986 /nfs/dbraw/zinc/21/49/86/461214986.db2.gz UZJVAIBBUAEVDC-DLBZAZTESA-N 2 1 334.504 3.150 20 0 EGADMP COc1cc(C)c([C@@H](C)[NH+]2CCC([N@H+](C)C[C@H](C)O)CC2)cc1C ZINC000638048845 461214989 /nfs/dbraw/zinc/21/49/89/461214989.db2.gz UZJVAIBBUAEVDC-DLBZAZTESA-N 2 1 334.504 3.150 20 0 EGADMP COc1cc(C)c([C@@H](C)[NH+]2CCC([N@@H+](C)C[C@H](C)O)CC2)cc1C ZINC000638048845 461214990 /nfs/dbraw/zinc/21/49/90/461214990.db2.gz UZJVAIBBUAEVDC-DLBZAZTESA-N 2 1 334.504 3.150 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)[C@H]2CCc3cc(OC)c(OC)cc32)C[C@H]1C ZINC000638109762 461245908 /nfs/dbraw/zinc/24/59/08/461245908.db2.gz GPPGVSOWZMFAGW-HFTRVMKXSA-N 2 1 332.488 3.496 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)[C@H]2CCc3cc(OC)c(OC)cc32)C[C@H]1C ZINC000638109762 461245916 /nfs/dbraw/zinc/24/59/16/461245916.db2.gz GPPGVSOWZMFAGW-HFTRVMKXSA-N 2 1 332.488 3.496 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)[C@H]2CCc3cc(OC)c(OC)cc32)C[C@H]1C ZINC000638109762 461245924 /nfs/dbraw/zinc/24/59/24/461245924.db2.gz GPPGVSOWZMFAGW-HFTRVMKXSA-N 2 1 332.488 3.496 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)[C@H]2CCc3cc(OC)c(OC)cc32)C[C@H]1C ZINC000638109762 461245928 /nfs/dbraw/zinc/24/59/28/461245928.db2.gz GPPGVSOWZMFAGW-HFTRVMKXSA-N 2 1 332.488 3.496 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CC[C@H](C[NH+]3CCCC3)C1)CC2 ZINC000638112791 461248490 /nfs/dbraw/zinc/24/84/90/461248490.db2.gz NMIRCHUBWLSIRA-QAPCUYQASA-N 2 1 330.472 3.109 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@H+]1CC[C@H](C[NH+]3CCCC3)C1)CC2 ZINC000638112791 461248498 /nfs/dbraw/zinc/24/84/98/461248498.db2.gz NMIRCHUBWLSIRA-QAPCUYQASA-N 2 1 330.472 3.109 20 0 EGADMP CC(C)O[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649702459 461287821 /nfs/dbraw/zinc/28/78/21/461287821.db2.gz DXTDHGJYTRJYJE-KDURUIRLSA-N 2 1 326.525 3.155 20 0 EGADMP CC(C)O[C@@H]1CCC[N@@H+](CCC[NH+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649702459 461287830 /nfs/dbraw/zinc/28/78/30/461287830.db2.gz DXTDHGJYTRJYJE-KDURUIRLSA-N 2 1 326.525 3.155 20 0 EGADMP CC(C)O[C@@H]1CCC[N@H+](CCC[NH+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649702459 461287840 /nfs/dbraw/zinc/28/78/40/461287840.db2.gz DXTDHGJYTRJYJE-KDURUIRLSA-N 2 1 326.525 3.155 20 0 EGADMP CN(CCCC[NH+]1CCCCC1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000641660713 461308005 /nfs/dbraw/zinc/30/80/05/461308005.db2.gz AGOFTFSWTMQCPO-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)c1 ZINC000662683754 461345463 /nfs/dbraw/zinc/34/54/63/461345463.db2.gz SSWDDZXQQGTUMW-SFHVURJKSA-N 2 1 347.409 3.445 20 0 EGADMP CN(CCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655697245 461368958 /nfs/dbraw/zinc/36/89/58/461368958.db2.gz KGFINBYLIJTSHJ-OAQYLSRUSA-N 2 1 345.531 3.136 20 0 EGADMP CN(CCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655697244 461370194 /nfs/dbraw/zinc/37/01/94/461370194.db2.gz KGFINBYLIJTSHJ-NRFANRHFSA-N 2 1 345.531 3.136 20 0 EGADMP CO[C@H](C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@@H]1CCOC1 ZINC000638362983 461389000 /nfs/dbraw/zinc/38/90/00/461389000.db2.gz HSHMGVCZWRSLCN-IOMROCGXSA-N 2 1 346.515 3.202 20 0 EGADMP Fc1cccc(C2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)c1 ZINC000655723988 461392584 /nfs/dbraw/zinc/39/25/84/461392584.db2.gz KHSVOUCMMZLBGZ-LJQANCHMSA-N 2 1 332.463 3.090 20 0 EGADMP CC(C)c1ccccc1OCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655728011 461396629 /nfs/dbraw/zinc/39/66/29/461396629.db2.gz SSLCSLIJITWWLU-LJQANCHMSA-N 2 1 346.515 3.422 20 0 EGADMP COc1ccc(C[C@@H](C)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655737634 461404855 /nfs/dbraw/zinc/40/48/55/461404855.db2.gz PTJIWSAPXCQLOI-UTKZUKDTSA-N 2 1 346.515 3.107 20 0 EGADMP CC(C)[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Cc1ccccc1 ZINC000655757106 461422861 /nfs/dbraw/zinc/42/28/61/461422861.db2.gz BOPZIRQOJQRABH-FPOVZHCZSA-N 2 1 330.516 3.344 20 0 EGADMP Cc1cccc(OCCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1C ZINC000655760884 461426451 /nfs/dbraw/zinc/42/64/51/461426451.db2.gz AEJPSQMBFSPULT-FQEVSTJZSA-N 2 1 346.515 3.305 20 0 EGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)c1 ZINC000638434288 461428066 /nfs/dbraw/zinc/42/80/66/461428066.db2.gz JXDXEUBIHDOTFJ-LPHOPBHVSA-N 2 1 331.504 3.064 20 0 EGADMP Cc1ccc(C(C)(C)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1 ZINC000655769387 461435026 /nfs/dbraw/zinc/43/50/26/461435026.db2.gz HJHSTYZDOAJJBJ-LJQANCHMSA-N 2 1 330.516 3.424 20 0 EGADMP Fc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655771152 461435535 /nfs/dbraw/zinc/43/55/35/461435535.db2.gz BHRREINFGFHBGZ-OXQOHEQNSA-N 2 1 332.463 3.436 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000655789885 461449051 /nfs/dbraw/zinc/44/90/51/461449051.db2.gz AEIXRZASQCHVHA-UHFFFAOYSA-N 2 1 330.451 3.284 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638567484 461490038 /nfs/dbraw/zinc/49/00/38/461490038.db2.gz MWKAAIFQJLRVKQ-CTNGQTDRSA-N 3 1 327.516 3.286 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638567484 461490049 /nfs/dbraw/zinc/49/00/49/461490049.db2.gz MWKAAIFQJLRVKQ-CTNGQTDRSA-N 3 1 327.516 3.286 20 0 EGADMP CCO[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](OCC)[C@@H](C)C2)C[C@@H]1C ZINC000649991452 461503619 /nfs/dbraw/zinc/50/36/19/461503619.db2.gz BUNNIVGEJNUVAK-LWYYNNOASA-N 2 1 340.552 3.260 20 0 EGADMP CCO[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](OCC)[C@@H](C)C2)C[C@@H]1C ZINC000649991452 461503623 /nfs/dbraw/zinc/50/36/23/461503623.db2.gz BUNNIVGEJNUVAK-LWYYNNOASA-N 2 1 340.552 3.260 20 0 EGADMP CCO[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@H](OCC)[C@@H](C)C2)C[C@@H]1C ZINC000649991452 461503631 /nfs/dbraw/zinc/50/36/31/461503631.db2.gz BUNNIVGEJNUVAK-LWYYNNOASA-N 2 1 340.552 3.260 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(F)cc1F ZINC000638657678 461519921 /nfs/dbraw/zinc/51/99/21/461519921.db2.gz ORTYGVNAXXGZKB-KRWDZBQOSA-N 2 1 326.431 3.241 20 0 EGADMP CCN(Cc1cc(OC)ns1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659969355 461522855 /nfs/dbraw/zinc/52/28/55/461522855.db2.gz AXLSZJISFWBSJW-KRWDZBQOSA-N 2 1 345.512 3.496 20 0 EGADMP CC[N@@H+](CCCNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000653200513 461553900 /nfs/dbraw/zinc/55/39/00/461553900.db2.gz GYYQVHZXLUEECQ-ZWKOTPCHSA-N 2 1 337.552 3.173 20 0 EGADMP OC[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638760331 461564742 /nfs/dbraw/zinc/56/47/42/461564742.db2.gz OMIZYFYZWYJGFZ-LYSIVYOWSA-N 2 1 328.500 3.495 20 0 EGADMP OC[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638760331 461564750 /nfs/dbraw/zinc/56/47/50/461564750.db2.gz OMIZYFYZWYJGFZ-LYSIVYOWSA-N 2 1 328.500 3.495 20 0 EGADMP c1ccc(C[NH+]2CCC(NC[C@H]3CCC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000663346712 461576650 /nfs/dbraw/zinc/57/66/50/461576650.db2.gz DCIUCALOSABDKI-OAQYLSRUSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(CN2CCC([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000663346712 461576657 /nfs/dbraw/zinc/57/66/57/461576657.db2.gz DCIUCALOSABDKI-OAQYLSRUSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(CN2CCC([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000663346712 461576664 /nfs/dbraw/zinc/57/66/64/461576664.db2.gz DCIUCALOSABDKI-OAQYLSRUSA-N 2 1 341.543 3.363 20 0 EGADMP CCNC(=O)C(C)(C)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638788185 461578864 /nfs/dbraw/zinc/57/88/64/461578864.db2.gz CLNVIIRSVBDZQK-PKOBYXMFSA-N 2 1 343.515 3.106 20 0 EGADMP CCNC(=O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638788185 461578871 /nfs/dbraw/zinc/57/88/71/461578871.db2.gz CLNVIIRSVBDZQK-PKOBYXMFSA-N 2 1 343.515 3.106 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638838517 461607831 /nfs/dbraw/zinc/60/78/31/461607831.db2.gz KTLOCZHKURWFCC-PZJWPPBQSA-N 2 1 325.500 3.206 20 0 EGADMP C[N@H+]1CC=C(C[NH2+][C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638838517 461607834 /nfs/dbraw/zinc/60/78/34/461607834.db2.gz KTLOCZHKURWFCC-PZJWPPBQSA-N 3 1 325.500 3.206 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638838517 461607837 /nfs/dbraw/zinc/60/78/37/461607837.db2.gz KTLOCZHKURWFCC-PZJWPPBQSA-N 3 1 325.500 3.206 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638838517 461607840 /nfs/dbraw/zinc/60/78/40/461607840.db2.gz KTLOCZHKURWFCC-PZJWPPBQSA-N 3 1 325.500 3.206 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638838517 461607842 /nfs/dbraw/zinc/60/78/42/461607842.db2.gz KTLOCZHKURWFCC-PZJWPPBQSA-N 3 1 325.500 3.206 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000631195486 461635417 /nfs/dbraw/zinc/63/54/17/461635417.db2.gz YNYPFGKXVUSXAY-XLIONFOSSA-N 2 1 339.483 3.338 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000631195486 461635427 /nfs/dbraw/zinc/63/54/27/461635427.db2.gz YNYPFGKXVUSXAY-XLIONFOSSA-N 2 1 339.483 3.338 20 0 EGADMP CCn1nccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000663471742 461661344 /nfs/dbraw/zinc/66/13/44/461661344.db2.gz WKFLCPLIDYCILW-HLAWJBBLSA-N 2 1 338.499 3.293 20 0 EGADMP OCC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCCC1 ZINC000639057373 461697626 /nfs/dbraw/zinc/69/76/26/461697626.db2.gz ZTHKIXLVIRYMLI-UYAOXDASSA-N 2 1 328.500 3.497 20 0 EGADMP OCC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCCC1 ZINC000639057373 461697633 /nfs/dbraw/zinc/69/76/33/461697633.db2.gz ZTHKIXLVIRYMLI-UYAOXDASSA-N 2 1 328.500 3.497 20 0 EGADMP CCOc1c(Cl)cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647482998 461730323 /nfs/dbraw/zinc/73/03/23/461730323.db2.gz QHPHSMLMOGZVAR-UHFFFAOYSA-N 2 1 338.879 3.464 20 0 EGADMP CCOc1c(Cl)cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647482998 461730329 /nfs/dbraw/zinc/73/03/29/461730329.db2.gz QHPHSMLMOGZVAR-UHFFFAOYSA-N 2 1 338.879 3.464 20 0 EGADMP COc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1Br ZINC000647483111 461731175 /nfs/dbraw/zinc/73/11/75/461731175.db2.gz ZVKTXZGXWGDHJP-UHFFFAOYSA-N 2 1 339.277 3.174 20 0 EGADMP COc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1Br ZINC000647483111 461731184 /nfs/dbraw/zinc/73/11/84/461731184.db2.gz ZVKTXZGXWGDHJP-UHFFFAOYSA-N 2 1 339.277 3.174 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531297 461749802 /nfs/dbraw/zinc/74/98/02/461749802.db2.gz MVLJDMKYUGUKFG-UHFFFAOYSA-N 2 1 326.488 3.170 20 0 EGADMP CC1([NH3+])CC[NH+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000647530825 461750115 /nfs/dbraw/zinc/75/01/15/461750115.db2.gz JEDITKHQLCSHBH-UHFFFAOYSA-N 2 1 338.377 3.409 20 0 EGADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000653604793 461754898 /nfs/dbraw/zinc/75/48/98/461754898.db2.gz ZNTWFEOYALCSDE-HZPDHXFCSA-N 2 1 332.410 3.305 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000653604793 461754901 /nfs/dbraw/zinc/75/49/01/461754901.db2.gz ZNTWFEOYALCSDE-HZPDHXFCSA-N 2 1 332.410 3.305 20 0 EGADMP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543311 461757596 /nfs/dbraw/zinc/75/75/96/461757596.db2.gz KXIKVPVFYDJJGL-HZPDHXFCSA-N 2 1 342.462 3.427 20 0 EGADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647542808 461757637 /nfs/dbraw/zinc/75/76/37/461757637.db2.gz CAIOMMZWSAYJIF-RTBURBONSA-N 2 1 330.520 3.138 20 0 EGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543816 461758347 /nfs/dbraw/zinc/75/83/47/461758347.db2.gz SJUGMXZJWAVHKP-ZWKOTPCHSA-N 2 1 332.488 3.306 20 0 EGADMP Cc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)nc(C)n1 ZINC000660436684 461779242 /nfs/dbraw/zinc/77/92/42/461779242.db2.gz UHLMLZIMVZGOTL-UHFFFAOYSA-N 2 1 325.460 3.006 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660447922 461785277 /nfs/dbraw/zinc/78/52/77/461785277.db2.gz KSYOGNQQWCWIFM-ZIEJVCCYSA-N 2 1 341.543 3.028 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660447922 461785282 /nfs/dbraw/zinc/78/52/82/461785282.db2.gz KSYOGNQQWCWIFM-ZIEJVCCYSA-N 2 1 341.543 3.028 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660447922 461785286 /nfs/dbraw/zinc/78/52/86/461785286.db2.gz KSYOGNQQWCWIFM-ZIEJVCCYSA-N 2 1 341.543 3.028 20 0 EGADMP C(=C/C[N@H+]1CC[C@@H](c2ccncc2)C1)\C[NH+]1CC[C@H](c2ccncc2)C1 ZINC000653681285 461806066 /nfs/dbraw/zinc/80/60/66/461806066.db2.gz LCYZHJDXGVUJNL-XFDDJKQHSA-N 2 1 348.494 3.312 20 0 EGADMP C(=C/C[N@@H+]1CC[C@H](c2ccncc2)C1)\C[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000653681285 461806072 /nfs/dbraw/zinc/80/60/72/461806072.db2.gz LCYZHJDXGVUJNL-XFDDJKQHSA-N 2 1 348.494 3.312 20 0 EGADMP C(=C/C[N@H+]1CC[C@H](c2ccncc2)C1)\C[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000653681285 461806080 /nfs/dbraw/zinc/80/60/80/461806080.db2.gz LCYZHJDXGVUJNL-XFDDJKQHSA-N 2 1 348.494 3.312 20 0 EGADMP C[C@@H]1CCC[C@]1(O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639209837 461806175 /nfs/dbraw/zinc/80/61/75/461806175.db2.gz FJCKCPDHBRJKDI-LGYWMIHWSA-N 2 1 328.500 3.495 20 0 EGADMP C[C@@H]1CCC[C@]1(O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639209837 461806181 /nfs/dbraw/zinc/80/61/81/461806181.db2.gz FJCKCPDHBRJKDI-LGYWMIHWSA-N 2 1 328.500 3.495 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856557 461839267 /nfs/dbraw/zinc/83/92/67/461839267.db2.gz QDAKFUJESFRMKE-QGZVFWFLSA-N 2 1 326.488 3.402 20 0 EGADMP CC1([NH+]2CCCC2)CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000639374579 461894887 /nfs/dbraw/zinc/89/48/87/461894887.db2.gz HJTNWRJXYIXXLN-UHFFFAOYSA-N 2 1 330.501 3.384 20 0 EGADMP CCOc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000656785515 461894959 /nfs/dbraw/zinc/89/49/59/461894959.db2.gz LFHZMSWTCRBMDJ-SFHVURJKSA-N 2 1 332.488 3.306 20 0 EGADMP [NH3+]C1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CCCC1 ZINC000656788806 461899243 /nfs/dbraw/zinc/89/92/43/461899243.db2.gz CRMBLOIFLLZTJM-UHFFFAOYSA-N 2 1 347.466 3.295 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000650706501 461899835 /nfs/dbraw/zinc/89/98/35/461899835.db2.gz LYVXZKVXDKINLV-CRFBAAHOSA-N 2 1 332.419 3.290 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3csc(-c4ccco4)n3)C2)C1 ZINC000650706161 461900108 /nfs/dbraw/zinc/90/01/08/461900108.db2.gz FMVMQWIBEWWBGE-VBQJREDUSA-N 2 1 347.484 3.121 20 0 EGADMP CC(C)(C)c1ncc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650706324 461900251 /nfs/dbraw/zinc/90/02/51/461900251.db2.gz IUCMASZUXZZYJQ-LZWOXQAQSA-N 2 1 337.533 3.159 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cccc(OC(F)F)c3)C2)C1 ZINC000650706816 461900442 /nfs/dbraw/zinc/90/04/42/461900442.db2.gz SXMNVZVPWDEKHM-ZMSDIMECSA-N 2 1 340.414 3.006 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000650706503 461900519 /nfs/dbraw/zinc/90/05/19/461900519.db2.gz LYVXZKVXDKINLV-URKNILKWSA-N 2 1 332.419 3.290 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(OC(F)F)c1 ZINC000666997055 461904332 /nfs/dbraw/zinc/90/43/32/461904332.db2.gz URPPLQRUPVPVGR-CYBMUJFWSA-N 2 1 326.387 3.061 20 0 EGADMP [NH3+]Cc1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000650717573 461910033 /nfs/dbraw/zinc/91/00/33/461910033.db2.gz FYFXGGFCFWABDU-UHFFFAOYSA-N 2 1 327.447 3.039 20 0 EGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000647965114 461910080 /nfs/dbraw/zinc/91/00/80/461910080.db2.gz HEPOCSUPUSGJFD-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000647965114 461910085 /nfs/dbraw/zinc/91/00/85/461910085.db2.gz HEPOCSUPUSGJFD-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000647965114 461910089 /nfs/dbraw/zinc/91/00/89/461910089.db2.gz HEPOCSUPUSGJFD-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP COc1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650722231 461914209 /nfs/dbraw/zinc/91/42/09/461914209.db2.gz NRTPMRGUXRYASW-JFIYKMOQSA-N 2 1 338.879 3.209 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc3cccnc32)C1 ZINC000650721997 461914414 /nfs/dbraw/zinc/91/44/14/461914414.db2.gz HZPONRVUERFBEY-QYZOEREBSA-N 2 1 325.456 3.096 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)cc(Cl)c2)C1 ZINC000650722846 461914826 /nfs/dbraw/zinc/91/48/26/461914826.db2.gz CFZLFDCEVASAQU-IXDOHACOSA-N 2 1 326.843 3.340 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000650723902 461915785 /nfs/dbraw/zinc/91/57/85/461915785.db2.gz VRCNEKOUQPZEDR-QRQLOZEOSA-N 2 1 341.455 3.202 20 0 EGADMP CC(C)N(C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647974936 461917119 /nfs/dbraw/zinc/91/71/19/461917119.db2.gz CEYWQMKKRMIIKG-RBUKOAKNSA-N 2 1 343.515 3.140 20 0 EGADMP CC(C)(C)c1cnc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650725398 461917613 /nfs/dbraw/zinc/91/76/13/461917613.db2.gz ZUCJLNSOILBYIY-ZNMIVQPWSA-N 2 1 337.533 3.301 20 0 EGADMP CC(C)(C)c1cnc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650725398 461917619 /nfs/dbraw/zinc/91/76/19/461917619.db2.gz ZUCJLNSOILBYIY-ZNMIVQPWSA-N 2 1 337.533 3.301 20 0 EGADMP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976310 461918351 /nfs/dbraw/zinc/91/83/51/461918351.db2.gz MZOPVUDDQABHNF-OAGGEKHMSA-N 2 1 340.471 3.108 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000647976625 461918488 /nfs/dbraw/zinc/91/84/88/461918488.db2.gz RFQPPESCWCSKCH-IPMKNSEASA-N 2 1 343.515 3.342 20 0 EGADMP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc1 ZINC000647978890 461920224 /nfs/dbraw/zinc/92/02/24/461920224.db2.gz ZWWPOLOTVKQVBW-UONOGXRCSA-N 2 1 327.394 3.312 20 0 EGADMP Cc1cccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647978279 461920516 /nfs/dbraw/zinc/92/05/16/461920516.db2.gz PGVWYYALQCHHPO-ZWKOTPCHSA-N 2 1 340.471 3.257 20 0 EGADMP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978157 461920734 /nfs/dbraw/zinc/92/07/34/461920734.db2.gz NJKUNPZFDWCBMQ-KURKYZTESA-N 2 1 339.487 3.040 20 0 EGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2nc3ccc(F)cc3s2)CC1 ZINC000667042248 461925346 /nfs/dbraw/zinc/92/53/46/461925346.db2.gz HUNMLMNNMMIHCV-KBXCAEBGSA-N 2 1 349.475 3.154 20 0 EGADMP CC(C)n1cc(C2=CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)nn1 ZINC000660714735 461934620 /nfs/dbraw/zinc/93/46/20/461934620.db2.gz GXHDBFXMCDDTPK-SFHVURJKSA-N 2 1 331.508 3.213 20 0 EGADMP CC(C)n1cc(C2=CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)nn1 ZINC000660714735 461934626 /nfs/dbraw/zinc/93/46/26/461934626.db2.gz GXHDBFXMCDDTPK-SFHVURJKSA-N 2 1 331.508 3.213 20 0 EGADMP Nc1cccc2c1cc[nH+]c2NCC1CC[NH+](C2CCOCC2)CC1 ZINC000664153547 461961001 /nfs/dbraw/zinc/96/10/01/461961001.db2.gz WUGYYBKAWXUVED-UHFFFAOYSA-N 2 1 340.471 3.120 20 0 EGADMP CC[C@H](CC(F)F)C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000660835849 461991424 /nfs/dbraw/zinc/99/14/24/461991424.db2.gz ZBEXZHPTMPESAG-MRXNPFEDSA-N 2 1 331.495 3.160 20 0 EGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H]3CC[N@H+]3C(C)(C)C)ccc21 ZINC000667196886 461991687 /nfs/dbraw/zinc/99/16/87/461991687.db2.gz GXCLOKGAJOQHFZ-WMZOPIPTSA-N 2 1 344.503 3.230 20 0 EGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000648158211 461992342 /nfs/dbraw/zinc/99/23/42/461992342.db2.gz KLSLWYFHQPCEFB-QGZVFWFLSA-N 2 1 331.847 3.349 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC[C@H]1CCc2ccccc21 ZINC000644655976 462025385 /nfs/dbraw/zinc/02/53/85/462025385.db2.gz CJMXEGVLNHDQHB-NHCUHLMSSA-N 2 1 338.495 3.189 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC[C@H]1CCc2ccccc21 ZINC000644655976 462025388 /nfs/dbraw/zinc/02/53/88/462025388.db2.gz CJMXEGVLNHDQHB-NHCUHLMSSA-N 2 1 338.495 3.189 20 0 EGADMP NC(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000664384024 462040477 /nfs/dbraw/zinc/04/04/77/462040477.db2.gz DLIMMDDMKGYERR-GOSISDBHSA-N 2 1 343.515 3.150 20 0 EGADMP C[N@H+]1CCN(C(=O)Nc2cccc(Oc3ccncc3)c2)CC1(C)C ZINC000639675449 462052399 /nfs/dbraw/zinc/05/23/99/462052399.db2.gz VGLMGZNWEJCARJ-UHFFFAOYSA-N 2 1 340.427 3.432 20 0 EGADMP CN1CCN(C(=O)Nc2cccc(Oc3ccncc3)c2)CC1(C)C ZINC000639675449 462052408 /nfs/dbraw/zinc/05/24/08/462052408.db2.gz VGLMGZNWEJCARJ-UHFFFAOYSA-N 2 1 340.427 3.432 20 0 EGADMP Clc1cnc2oc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)cc2c1 ZINC000648457607 462128727 /nfs/dbraw/zinc/12/87/27/462128727.db2.gz FWVDPUHYGDGDOS-ZDUSSCGKSA-N 2 1 349.862 3.072 20 0 EGADMP c1cc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)nc(N2CCCCC2)[nH+]1 ZINC000664677978 462146812 /nfs/dbraw/zinc/14/68/12/462146812.db2.gz FTPRWBABJMEYOF-KRWDZBQOSA-N 2 1 329.492 3.001 20 0 EGADMP c1cc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)nc(N2CCCCC2)[nH+]1 ZINC000664677978 462146820 /nfs/dbraw/zinc/14/68/20/462146820.db2.gz FTPRWBABJMEYOF-KRWDZBQOSA-N 2 1 329.492 3.001 20 0 EGADMP c1cn2c(n1)[C@H](N[C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000648629218 462207138 /nfs/dbraw/zinc/20/71/38/462207138.db2.gz VARITUOJCOFWKU-ZGXWSNOMSA-N 2 1 336.483 3.218 20 0 EGADMP CO[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1C ZINC000648742305 462255155 /nfs/dbraw/zinc/25/51/55/462255155.db2.gz BXPWADSJCMGTBX-XLIONFOSSA-N 2 1 332.488 3.018 20 0 EGADMP CO[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1(C)C ZINC000648742504 462256751 /nfs/dbraw/zinc/25/67/51/462256751.db2.gz VNEUFTMWIFBDPQ-FQEVSTJZSA-N 2 1 346.515 3.408 20 0 EGADMP CC(C)c1nc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c2ccccn21 ZINC000651638096 462285242 /nfs/dbraw/zinc/28/52/42/462285242.db2.gz MNAZPBODUXCLBN-UHFFFAOYSA-N 2 1 344.503 3.000 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2cnc(C3CC3)o2)cc1 ZINC000648823276 462293164 /nfs/dbraw/zinc/29/31/64/462293164.db2.gz FTNBMXBUAMWVRO-UHFFFAOYSA-N 2 1 329.444 3.172 20 0 EGADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@H]3CCCn4nccc43)C2)c1 ZINC000657861132 462300208 /nfs/dbraw/zinc/30/02/08/462300208.db2.gz PHCCDPLTGMNZAY-RDJZCZTQSA-N 2 1 330.501 3.281 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3CCCn4nccc43)C2)c1 ZINC000657861132 462300211 /nfs/dbraw/zinc/30/02/11/462300211.db2.gz PHCCDPLTGMNZAY-RDJZCZTQSA-N 2 1 330.501 3.281 20 0 EGADMP CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000648872478 462313904 /nfs/dbraw/zinc/31/39/04/462313904.db2.gz ZEEVINGFFRJTQN-FQEVSTJZSA-N 2 1 345.531 3.076 20 0 EGADMP CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC000657944102 462324817 /nfs/dbraw/zinc/32/48/17/462324817.db2.gz YQOSWEGWVBWZLD-MSOLQXFVSA-N 2 1 332.532 3.423 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc3c2CCC3)C1 ZINC000651758894 462327450 /nfs/dbraw/zinc/32/74/50/462327450.db2.gz ROQNEXOUCWBZRA-NRFANRHFSA-N 2 1 336.479 3.032 20 0 EGADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCc1c[nH+]cn1C ZINC000657981964 462337133 /nfs/dbraw/zinc/33/71/33/462337133.db2.gz JIMWCHWCHABEHY-HNNXBMFYSA-N 2 1 336.277 3.336 20 0 EGADMP C[C@@H](CC1CCOCC1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665252985 462370248 /nfs/dbraw/zinc/37/02/48/462370248.db2.gz BZYVVBGRHBCUIC-URKNILKWSA-N 2 1 338.442 3.205 20 0 EGADMP CC[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658076296 462371629 /nfs/dbraw/zinc/37/16/29/462371629.db2.gz IUISCVYTMKHQHA-QUCCMNQESA-N 2 1 334.479 3.380 20 0 EGADMP C[C@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000658091089 462380762 /nfs/dbraw/zinc/38/07/62/462380762.db2.gz KXSPKZHNVCTROC-SXLOBPIMSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H](N[C@H]1CC[NH+](C(C)(C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658091089 462380767 /nfs/dbraw/zinc/38/07/67/462380767.db2.gz KXSPKZHNVCTROC-SXLOBPIMSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H](N[C@H]1CC[NH+](C(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658091089 462380770 /nfs/dbraw/zinc/38/07/70/462380770.db2.gz KXSPKZHNVCTROC-SXLOBPIMSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649294975 462469307 /nfs/dbraw/zinc/46/93/07/462469307.db2.gz ZYVXHIOEPBZEEQ-PBHICJAKSA-N 2 1 337.895 3.111 20 0 EGADMP CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418174 462504680 /nfs/dbraw/zinc/50/46/80/462504680.db2.gz BAUYVHMQMZPQBH-OWCLPIDISA-N 2 1 337.533 3.452 20 0 EGADMP CCO[C@H](C)c1nc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418174 462504684 /nfs/dbraw/zinc/50/46/84/462504684.db2.gz BAUYVHMQMZPQBH-OWCLPIDISA-N 2 1 337.533 3.452 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc2ccccc2n1 ZINC000178470474 533810204 /nfs/dbraw/zinc/81/02/04/533810204.db2.gz QFJQWRNSVSFSTB-IRXDYDNUSA-N 2 1 339.483 3.386 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cnc2ccsc2c1 ZINC000133069327 533810563 /nfs/dbraw/zinc/81/05/63/533810563.db2.gz QFLHJAGTTAOPAM-GJZGRUSLSA-N 2 1 345.512 3.448 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)CC[N@H+]1C ZINC000159271816 533955489 /nfs/dbraw/zinc/95/54/89/533955489.db2.gz WDWYYRAJZJADEX-RHSMWYFYSA-N 2 1 327.428 3.104 20 0 EGADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000171841487 534219046 /nfs/dbraw/zinc/21/90/46/534219046.db2.gz WMMZXQWFRMGNAW-GFCCVEGCSA-N 2 1 339.386 3.227 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1 ZINC000174344209 534257092 /nfs/dbraw/zinc/25/70/92/534257092.db2.gz ISDMWODFKGHLJF-MJGOQNOKSA-N 2 1 346.515 3.454 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000154464988 534447129 /nfs/dbraw/zinc/44/71/29/534447129.db2.gz CSKYOCFEHLBGTE-VCBZYWHSSA-N 2 1 326.488 3.119 20 0 EGADMP CCOc1ccc([C@@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)cc1 ZINC000154541693 528595092 /nfs/dbraw/zinc/59/50/92/528595092.db2.gz YGKREKIEZNMSDJ-GOSISDBHSA-N 2 1 333.520 3.154 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000154454198 529144083 /nfs/dbraw/zinc/14/40/83/529144083.db2.gz PRMWGPPGLUXEMJ-DYESRHJHSA-N 2 1 347.522 3.456 20 0 EGADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cnn(CC(F)F)c1 ZINC000352943013 535027206 /nfs/dbraw/zinc/02/72/06/535027206.db2.gz BQVDNQMIYBIQRO-UHFFFAOYSA-N 2 1 328.451 3.283 20 0 EGADMP CC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H]1CCCO1 ZINC000092407847 546674348 /nfs/dbraw/zinc/67/43/48/546674348.db2.gz YBXFRTFEDIOACA-HXUWFJFHSA-N 2 1 332.488 3.162 20 0 EGADMP CCOC[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000093419537 546684952 /nfs/dbraw/zinc/68/49/52/546684952.db2.gz JUZAMBWRNPHCCP-HXUWFJFHSA-N 2 1 346.515 3.410 20 0 EGADMP Cc1cc(C)c(NC(=O)CCC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(C)c1 ZINC000137413868 546845246 /nfs/dbraw/zinc/84/52/46/546845246.db2.gz JMEZBHMXTNJROW-SFHVURJKSA-N 2 1 331.504 3.214 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1F ZINC000153733458 546883350 /nfs/dbraw/zinc/88/33/50/546883350.db2.gz UEFXRFSEDNCZKT-CQSZACIVSA-N 3 1 330.451 3.140 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)CC1 ZINC000155417531 546902273 /nfs/dbraw/zinc/90/22/73/546902273.db2.gz HMQWLRSZNAUIOS-KBXCAEBGSA-N 2 1 345.487 3.321 20 0 EGADMP C[C@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000157015378 546917074 /nfs/dbraw/zinc/91/70/74/546917074.db2.gz HUVBIHYPBWETEN-AWEZNQCLSA-N 2 1 348.516 3.000 20 0 EGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166321398 546988334 /nfs/dbraw/zinc/98/83/34/546988334.db2.gz VXSVFDMEDMDVEJ-PKOBYXMFSA-N 2 1 329.488 3.388 20 0 EGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166321398 546988336 /nfs/dbraw/zinc/98/83/36/546988336.db2.gz VXSVFDMEDMDVEJ-PKOBYXMFSA-N 2 1 329.488 3.388 20 0 EGADMP CCc1cccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185660076 547122553 /nfs/dbraw/zinc/12/25/53/547122553.db2.gz ULDGPNJTMQJABX-SJLPKXTDSA-N 2 1 343.515 3.430 20 0 EGADMP CCc1cccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185660076 547122557 /nfs/dbraw/zinc/12/25/57/547122557.db2.gz ULDGPNJTMQJABX-SJLPKXTDSA-N 2 1 343.515 3.430 20 0 EGADMP CN(C)c1cc[nH+]c(NCc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000301745320 547444850 /nfs/dbraw/zinc/44/48/50/547444850.db2.gz XCKMZSVECUFDTO-UHFFFAOYSA-N 2 1 325.460 3.141 20 0 EGADMP CCCn1nccc1CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310064288 547461663 /nfs/dbraw/zinc/46/16/63/547461663.db2.gz AQYIUGJBHZAOBK-LJQANCHMSA-N 2 1 326.488 3.295 20 0 EGADMP CCCn1nccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310064288 547461668 /nfs/dbraw/zinc/46/16/68/547461668.db2.gz AQYIUGJBHZAOBK-LJQANCHMSA-N 2 1 326.488 3.295 20 0 EGADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CCN(Cc2ccccc2)CC1 ZINC000311863830 547463255 /nfs/dbraw/zinc/46/32/55/547463255.db2.gz VQFDSRCPHMJVPF-UHFFFAOYSA-N 2 1 349.522 3.429 20 0 EGADMP CN(Cc1cccc2c1CC[NH2+]C2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000311863830 547463259 /nfs/dbraw/zinc/46/32/59/547463259.db2.gz VQFDSRCPHMJVPF-UHFFFAOYSA-N 2 1 349.522 3.429 20 0 EGADMP CCOc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OCC ZINC000339073911 547568059 /nfs/dbraw/zinc/56/80/59/547568059.db2.gz GYYYRIYDPXLUKR-ROUUACIJSA-N 2 1 332.488 3.243 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339072647 547568103 /nfs/dbraw/zinc/56/81/03/547568103.db2.gz YHXAFNJHSSXPJX-QMMLZNLJSA-N 2 1 327.516 3.428 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(N2CCCC2=O)c1 ZINC000339069665 547568376 /nfs/dbraw/zinc/56/83/76/547568376.db2.gz UKLOOZDXJHOYPM-JQHSSLGASA-N 2 1 327.472 3.091 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(N2CCCC2=O)c1 ZINC000339069665 547568381 /nfs/dbraw/zinc/56/83/81/547568381.db2.gz UKLOOZDXJHOYPM-JQHSSLGASA-N 2 1 327.472 3.091 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(CC(N)=O)cc2)cc1 ZINC000674758304 548792548 /nfs/dbraw/zinc/79/25/48/548792548.db2.gz IMIGISSSAMIJBY-HNNXBMFYSA-N 2 1 348.450 3.059 20 0 EGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675883124 548996815 /nfs/dbraw/zinc/99/68/15/548996815.db2.gz WRXLSFQTMZRGRY-TZIWHRDSSA-N 2 1 344.499 3.306 20 0 EGADMP c1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675883226 548996891 /nfs/dbraw/zinc/99/68/91/548996891.db2.gz YLDAZZKWRAXADD-IEBWSBKVSA-N 2 1 330.472 3.133 20 0 EGADMP OCC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CCCCC1 ZINC000676413198 549084885 /nfs/dbraw/zinc/08/48/85/549084885.db2.gz PTKXSTGPLBCYQL-UHFFFAOYSA-N 2 1 346.515 3.288 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000678123216 549402002 /nfs/dbraw/zinc/40/20/02/549402002.db2.gz NIWYDFJJAYSICH-HNNXBMFYSA-N 2 1 330.394 3.401 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC(C)(C)O1 ZINC000678214412 549426308 /nfs/dbraw/zinc/42/63/08/549426308.db2.gz UXHVQSDVESHIHR-QGZVFWFLSA-N 2 1 332.488 3.161 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000678277605 549456249 /nfs/dbraw/zinc/45/62/49/549456249.db2.gz YCJWFABLJDSYTJ-INIZCTEOSA-N 2 1 340.471 3.003 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000678277605 549456251 /nfs/dbraw/zinc/45/62/51/549456251.db2.gz YCJWFABLJDSYTJ-INIZCTEOSA-N 2 1 340.471 3.003 20 0 EGADMP Cc1cc(C[NH+]2CCSCC2)ccc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000679143050 549644045 /nfs/dbraw/zinc/64/40/45/549644045.db2.gz OWVGQXMQGDCXDV-SJLPKXTDSA-N 2 1 333.545 3.438 20 0 EGADMP C[NH+](C)CCC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679328183 549688625 /nfs/dbraw/zinc/68/86/25/549688625.db2.gz CFPZGDDLWCGGKD-JKSUJKDBSA-N 2 1 341.293 3.211 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CC[N@H+](CC4CC4)C2)C3)cc1 ZINC000679393104 549703716 /nfs/dbraw/zinc/70/37/16/549703716.db2.gz FSHQNGQGCCKHEU-MYGLTJDJSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CC[NH+](CC4CC4)C2)C3)cc1 ZINC000679393104 549703717 /nfs/dbraw/zinc/70/37/17/549703717.db2.gz FSHQNGQGCCKHEU-MYGLTJDJSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CC[NH+](CC4CC4)C2)C3)cc1 ZINC000679393104 549703721 /nfs/dbraw/zinc/70/37/21/549703721.db2.gz FSHQNGQGCCKHEU-MYGLTJDJSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CC[N@H+](CC4CC4)C2)C3)cc1 ZINC000679393099 549703774 /nfs/dbraw/zinc/70/37/74/549703774.db2.gz FSHQNGQGCCKHEU-KJJMTIBFSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CC[NH+](CC4CC4)C2)C3)cc1 ZINC000679393099 549703777 /nfs/dbraw/zinc/70/37/77/549703777.db2.gz FSHQNGQGCCKHEU-KJJMTIBFSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CC[NH+](CC4CC4)C2)C3)cc1 ZINC000679393099 549703780 /nfs/dbraw/zinc/70/37/80/549703780.db2.gz FSHQNGQGCCKHEU-KJJMTIBFSA-N 2 1 339.527 3.256 20 0 EGADMP CCC[NH+](CCC)CCCc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000680775342 549904881 /nfs/dbraw/zinc/90/48/81/549904881.db2.gz HLBWNMPROAXHSI-ALOPSCKCSA-N 2 1 334.508 3.464 20 0 EGADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000682674778 550129694 /nfs/dbraw/zinc/12/96/94/550129694.db2.gz RZJNBJQCSJHQKY-YADHBBJMSA-N 2 1 338.495 3.010 20 0 EGADMP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000682674778 550129695 /nfs/dbraw/zinc/12/96/95/550129695.db2.gz RZJNBJQCSJHQKY-YADHBBJMSA-N 2 1 338.495 3.010 20 0 EGADMP C[N@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCc2ccccc21 ZINC000683787770 550262077 /nfs/dbraw/zinc/26/20/77/550262077.db2.gz PYMWMVARMBDUIH-YADHBBJMSA-N 2 1 336.479 3.243 20 0 EGADMP C[N@@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCc2ccccc21 ZINC000683787770 550262079 /nfs/dbraw/zinc/26/20/79/550262079.db2.gz PYMWMVARMBDUIH-YADHBBJMSA-N 2 1 336.479 3.243 20 0 EGADMP C[NH+](C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCc2ccccc21 ZINC000683787770 550262081 /nfs/dbraw/zinc/26/20/81/550262081.db2.gz PYMWMVARMBDUIH-YADHBBJMSA-N 2 1 336.479 3.243 20 0 EGADMP C[NH+](C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCc2ccccc21 ZINC000683787770 550262083 /nfs/dbraw/zinc/26/20/83/550262083.db2.gz PYMWMVARMBDUIH-YADHBBJMSA-N 2 1 336.479 3.243 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CN[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)C1 ZINC000685455675 550418389 /nfs/dbraw/zinc/41/83/89/550418389.db2.gz HSCKSPWALXPVDV-GXRSIYKFSA-N 2 1 341.543 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000685455675 550418391 /nfs/dbraw/zinc/41/83/91/550418391.db2.gz HSCKSPWALXPVDV-GXRSIYKFSA-N 2 1 341.543 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000685455675 550418393 /nfs/dbraw/zinc/41/83/93/550418393.db2.gz HSCKSPWALXPVDV-GXRSIYKFSA-N 2 1 341.543 3.217 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)C1 ZINC000685455675 550418395 /nfs/dbraw/zinc/41/83/95/550418395.db2.gz HSCKSPWALXPVDV-GXRSIYKFSA-N 3 1 341.543 3.217 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)C1 ZINC000685455675 550418397 /nfs/dbraw/zinc/41/83/97/550418397.db2.gz HSCKSPWALXPVDV-GXRSIYKFSA-N 3 1 341.543 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000685455675 550418399 /nfs/dbraw/zinc/41/83/99/550418399.db2.gz HSCKSPWALXPVDV-GXRSIYKFSA-N 3 1 341.543 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000685455675 550418401 /nfs/dbraw/zinc/41/84/01/550418401.db2.gz HSCKSPWALXPVDV-GXRSIYKFSA-N 3 1 341.543 3.217 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000685464421 550420180 /nfs/dbraw/zinc/42/01/80/550420180.db2.gz IAVHVQKENXHLGQ-PMACEKPBSA-N 2 1 346.515 3.266 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000685464423 550420600 /nfs/dbraw/zinc/42/06/00/550420600.db2.gz IAVHVQKENXHLGQ-VQTJNVASSA-N 2 1 346.515 3.266 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000685850671 550448162 /nfs/dbraw/zinc/44/81/62/550448162.db2.gz CVOVWRCELWQDMK-UXHICEINSA-N 2 1 344.499 3.161 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000732276460 575252797 /nfs/dbraw/zinc/25/27/97/575252797.db2.gz KVYYQEXSDJCEBL-UHFFFAOYSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000732276460 575252800 /nfs/dbraw/zinc/25/28/00/575252800.db2.gz KVYYQEXSDJCEBL-UHFFFAOYSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000732276460 575252802 /nfs/dbraw/zinc/25/28/02/575252802.db2.gz KVYYQEXSDJCEBL-UHFFFAOYSA-N 2 1 325.541 3.077 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1)C(C)C ZINC000733164398 575311919 /nfs/dbraw/zinc/31/19/19/575311919.db2.gz RMQIYAZGTYHJKO-LJQANCHMSA-N 2 1 333.520 3.233 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1)C(C)C ZINC000733164397 575311953 /nfs/dbraw/zinc/31/19/53/575311953.db2.gz RMQIYAZGTYHJKO-IBGZPJMESA-N 2 1 333.520 3.233 20 0 EGADMP O[C@H](C[NH2+][C@H]1CCc2ccc(-c3ccccc3)cc21)C[NH+]1CCCC1 ZINC000681738777 576179492 /nfs/dbraw/zinc/17/94/92/576179492.db2.gz NXFPFJKXSFAKNX-IRLDBZIGSA-N 2 1 336.479 3.387 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000383313204 576253876 /nfs/dbraw/zinc/25/38/76/576253876.db2.gz AJEJRHIQAZTGPQ-LJQANCHMSA-N 2 1 325.456 3.092 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000383313204 576253879 /nfs/dbraw/zinc/25/38/79/576253879.db2.gz AJEJRHIQAZTGPQ-LJQANCHMSA-N 2 1 325.456 3.092 20 0 EGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C2=O)cc1 ZINC000742706582 576793711 /nfs/dbraw/zinc/79/37/11/576793711.db2.gz NMYDNOAYBGULEM-RBUKOAKNSA-N 2 1 345.531 3.446 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C)cc2)CC1 ZINC000061070327 1291959065 /nfs/dbraw/zinc/95/90/65/1291959065.db2.gz HXVMOCPGGNPEED-UHFFFAOYSA-N 2 1 337.511 3.422 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000063917694 1292031451 /nfs/dbraw/zinc/03/14/51/1292031451.db2.gz ABRAGTNRVMKOFZ-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000063917694 1292031462 /nfs/dbraw/zinc/03/14/62/1292031462.db2.gz ABRAGTNRVMKOFZ-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccccc2OC(F)F)C[C@H](C)O1 ZINC000067452946 1292161260 /nfs/dbraw/zinc/16/12/60/1292161260.db2.gz FNJIFUNBEUMSBK-GASCZTMLSA-N 2 1 342.430 3.267 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000069160399 1292232818 /nfs/dbraw/zinc/23/28/18/1292232818.db2.gz JSNGDCKCCSQEAR-SFHVURJKSA-N 2 1 326.488 3.311 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000069160399 1292232824 /nfs/dbraw/zinc/23/28/24/1292232824.db2.gz JSNGDCKCCSQEAR-SFHVURJKSA-N 2 1 326.488 3.311 20 0 EGADMP FC(F)(F)c1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000076762990 1292441465 /nfs/dbraw/zinc/44/14/65/1292441465.db2.gz GHXKGCJQMFSDIF-HNNXBMFYSA-N 2 1 342.405 3.296 20 0 EGADMP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]Cc3cccc4c3OCO4)C2)cc1 ZINC000103173761 1292996668 /nfs/dbraw/zinc/99/66/68/1292996668.db2.gz NFSOTVIRUKLWFO-SFHVURJKSA-N 2 1 338.451 3.070 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]Cc3cccc4c3OCO4)C2)cc1 ZINC000103173761 1292996673 /nfs/dbraw/zinc/99/66/73/1292996673.db2.gz NFSOTVIRUKLWFO-SFHVURJKSA-N 2 1 338.451 3.070 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000105457167 1293036469 /nfs/dbraw/zinc/03/64/69/1293036469.db2.gz QCFLBYIMZYSJSU-HNNXBMFYSA-N 2 1 330.451 3.426 20 0 EGADMP CC(=O)N1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000109068627 1293086721 /nfs/dbraw/zinc/08/67/21/1293086721.db2.gz WFFKJEMMOPIWMX-KRWDZBQOSA-N 2 1 343.515 3.019 20 0 EGADMP CCn1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000112096554 1293117236 /nfs/dbraw/zinc/11/72/36/1293117236.db2.gz WFFLVJXXNKQQQM-QGZVFWFLSA-N 2 1 326.488 3.425 20 0 EGADMP c1ccc2c(c1)CCC([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000834585182 1293119530 /nfs/dbraw/zinc/11/95/30/1293119530.db2.gz IFCPWPITVQUNSW-OAQYLSRUSA-N 2 1 328.500 3.167 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(N2CCCC2=O)cc1 ZINC000834911036 1293174397 /nfs/dbraw/zinc/17/43/97/1293174397.db2.gz XCKDRTWFDSMTQU-MRXNPFEDSA-N 2 1 329.488 3.338 20 0 EGADMP Cc1cn2c(C[NH2+]C[C@@H]3CCC[N@@H+](CC(C)C)C3)c(C)nc2s1 ZINC000120761449 1293337023 /nfs/dbraw/zinc/33/70/23/1293337023.db2.gz WFPOSLVPZVAHKP-INIZCTEOSA-N 2 1 334.533 3.470 20 0 EGADMP Cc1cn2c(C[NH2+]C[C@@H]3CCC[N@H+](CC(C)C)C3)c(C)nc2s1 ZINC000120761449 1293337026 /nfs/dbraw/zinc/33/70/26/1293337026.db2.gz WFPOSLVPZVAHKP-INIZCTEOSA-N 2 1 334.533 3.470 20 0 EGADMP Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1 ZINC000131358157 1293687683 /nfs/dbraw/zinc/68/76/83/1293687683.db2.gz SWMZMRNQJOOFRU-IEBWSBKVSA-N 2 1 327.472 3.025 20 0 EGADMP CC[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCCC1 ZINC000151718896 1293935914 /nfs/dbraw/zinc/93/59/14/1293935914.db2.gz NRAIHPUDDZGXKR-QGZVFWFLSA-N 2 1 346.475 3.028 20 0 EGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCCO2 ZINC000153718543 1294026576 /nfs/dbraw/zinc/02/65/76/1294026576.db2.gz VJZQDLMRYRHLCH-UXHICEINSA-N 2 1 346.515 3.289 20 0 EGADMP COCC[NH+]1CCC([NH2+]Cc2cccc(OC3CCCC3)c2)CC1 ZINC000237126267 1296221799 /nfs/dbraw/zinc/22/17/99/1296221799.db2.gz RJZQHAFTKPDLEL-UHFFFAOYSA-N 2 1 332.488 3.208 20 0 EGADMP C[C@H]1C[C@@H](NCC(C)(C)C[NH+](C)Cc2ccccc2)C[N@H+]1C1CC1 ZINC000237535337 1296250250 /nfs/dbraw/zinc/25/02/50/1296250250.db2.gz UUIFRTSUGGDXND-PKOBYXMFSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]1C[C@@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000237535337 1296250257 /nfs/dbraw/zinc/25/02/57/1296250257.db2.gz UUIFRTSUGGDXND-PKOBYXMFSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]1C[C@@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000237535337 1296250267 /nfs/dbraw/zinc/25/02/67/1296250267.db2.gz UUIFRTSUGGDXND-PKOBYXMFSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CN1C1CC1 ZINC000237535337 1296250274 /nfs/dbraw/zinc/25/02/74/1296250274.db2.gz UUIFRTSUGGDXND-PKOBYXMFSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CN1C1CC1 ZINC000237535337 1296250289 /nfs/dbraw/zinc/25/02/89/1296250289.db2.gz UUIFRTSUGGDXND-PKOBYXMFSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000237673980 1296255946 /nfs/dbraw/zinc/25/59/46/1296255946.db2.gz QYWNGIRARDUGMZ-PWIZWCRZSA-N 2 1 343.515 3.052 20 0 EGADMP Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000247220150 1296385528 /nfs/dbraw/zinc/38/55/28/1296385528.db2.gz CRVYDSSNVHXPQN-PZJWPPBQSA-N 2 1 330.516 3.472 20 0 EGADMP Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000247220150 1296385543 /nfs/dbraw/zinc/38/55/43/1296385543.db2.gz CRVYDSSNVHXPQN-PZJWPPBQSA-N 2 1 330.516 3.472 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000250024399 1296453846 /nfs/dbraw/zinc/45/38/46/1296453846.db2.gz RMNMYDIEPZBVTJ-MISYRCLQSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000250024399 1296453849 /nfs/dbraw/zinc/45/38/49/1296453849.db2.gz RMNMYDIEPZBVTJ-MISYRCLQSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000250024399 1296453851 /nfs/dbraw/zinc/45/38/51/1296453851.db2.gz RMNMYDIEPZBVTJ-MISYRCLQSA-N 2 1 343.515 3.203 20 0 EGADMP c1ccc(C[NH+]2CCC(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000261538135 1296593076 /nfs/dbraw/zinc/59/30/76/1296593076.db2.gz FLMVYEGTOHRYBY-PCCBWWKXSA-N 2 1 327.516 3.161 20 0 EGADMP CCOc1cc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)ccc1OC(F)F ZINC000261772053 1296602766 /nfs/dbraw/zinc/60/27/66/1296602766.db2.gz QZLGGPHTVYHZMG-CQSZACIVSA-N 2 1 328.403 3.118 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)ccc1OC(F)F ZINC000261772053 1296602779 /nfs/dbraw/zinc/60/27/79/1296602779.db2.gz QZLGGPHTVYHZMG-CQSZACIVSA-N 2 1 328.403 3.118 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)[C@@H](n2cncn2)C1 ZINC000283887786 1296732803 /nfs/dbraw/zinc/73/28/03/1296732803.db2.gz CKBAJHUMGIRZOO-HOJAQTOUSA-N 2 1 341.503 3.120 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(C(F)(F)F)co3)C2)C1 ZINC000872145653 1296766618 /nfs/dbraw/zinc/76/66/18/1296766618.db2.gz VWIOQYDXWWGASW-KYOSRNDESA-N 2 1 332.366 3.017 20 0 EGADMP C[C@H](C(=O)N1CCCCC1)[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156491 1296775245 /nfs/dbraw/zinc/77/52/45/1296775245.db2.gz KEGBNPALZUZOEB-AOIWGVFYSA-N 2 1 335.536 3.007 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000299985786 1296777466 /nfs/dbraw/zinc/77/74/66/1296777466.db2.gz KWJAQXKNZJTUMV-JYJNAYRXSA-N 2 1 327.513 3.142 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000305768489 1297047806 /nfs/dbraw/zinc/04/78/06/1297047806.db2.gz KUWBPPBHHZTTQM-RCBQFDQVSA-N 2 1 330.394 3.059 20 0 EGADMP CC(C)C[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000310191952 1297093104 /nfs/dbraw/zinc/09/31/04/1297093104.db2.gz QGEUZGOWLNEUHI-NQIIRXRSSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000310191952 1297093114 /nfs/dbraw/zinc/09/31/14/1297093114.db2.gz QGEUZGOWLNEUHI-NQIIRXRSSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@]1(C[NH2+]C[C@H](O)c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310889662 1297103629 /nfs/dbraw/zinc/10/36/29/1297103629.db2.gz KGKMGQHAXCCULC-SFTDATJTSA-N 2 1 342.458 3.361 20 0 EGADMP C[C@]1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311229006 1297105738 /nfs/dbraw/zinc/10/57/38/1297105738.db2.gz YXRQHUDEEZLLPV-DXBBTUNJSA-N 2 1 341.543 3.409 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000311229006 1297105743 /nfs/dbraw/zinc/10/57/43/1297105743.db2.gz YXRQHUDEEZLLPV-DXBBTUNJSA-N 3 1 341.543 3.409 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311229006 1297105751 /nfs/dbraw/zinc/10/57/51/1297105751.db2.gz YXRQHUDEEZLLPV-DXBBTUNJSA-N 3 1 341.543 3.409 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)[C@@H](n2cncn2)C1 ZINC000340186420 1297310171 /nfs/dbraw/zinc/31/01/71/1297310171.db2.gz QYRAOQKIHLTFJF-XWSJACJDSA-N 2 1 333.524 3.252 20 0 EGADMP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000340901438 1297318168 /nfs/dbraw/zinc/31/81/68/1297318168.db2.gz JJRUWNHFSKUDDT-SJORKVTESA-N 2 1 340.471 3.010 20 0 EGADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000340901438 1297318183 /nfs/dbraw/zinc/31/81/83/1297318183.db2.gz JJRUWNHFSKUDDT-SJORKVTESA-N 2 1 340.471 3.010 20 0 EGADMP OCCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CCc2ccccc21 ZINC000873205564 1297350579 /nfs/dbraw/zinc/35/05/79/1297350579.db2.gz PDFIIIVVSGRZRA-LJQANCHMSA-N 2 1 342.508 3.266 20 0 EGADMP Brc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000873261522 1297395251 /nfs/dbraw/zinc/39/52/51/1297395251.db2.gz DUYDLQDJXPLBFW-HRCADAONSA-N 2 1 338.293 3.245 20 0 EGADMP CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378878435 1297524565 /nfs/dbraw/zinc/52/45/65/1297524565.db2.gz CSUDIXSQZZOJFJ-ZACQAIPSSA-N 2 1 339.524 3.142 20 0 EGADMP Clc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc2c1OCCCO2 ZINC000378966104 1297531531 /nfs/dbraw/zinc/53/15/31/1297531531.db2.gz ZZFRMAPSEHKDKE-CYBMUJFWSA-N 2 1 336.863 3.075 20 0 EGADMP C[C@H](CC[NH2+]C[C@@H](O)c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1 ZINC000379616589 1297534409 /nfs/dbraw/zinc/53/44/09/1297534409.db2.gz CPKPLIQMBQKDSY-OXQOHEQNSA-N 2 1 330.447 3.359 20 0 EGADMP C[C@@H](CC[NH2+][C@H]1CCOC2(CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000379637660 1297535371 /nfs/dbraw/zinc/53/53/71/1297535371.db2.gz SXIPTHOKEBULOX-ICSRJNTNSA-N 2 1 346.515 3.215 20 0 EGADMP CC(C)(C)OC(=O)N(CC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C(C)(C)C ZINC000382907141 1297566464 /nfs/dbraw/zinc/56/64/64/1297566464.db2.gz WVEOWYRDGMXRFC-HZPDHXFCSA-N 2 1 339.524 3.238 20 0 EGADMP CC(C)(C)OC(=O)N(CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C(C)(C)C ZINC000382907141 1297566468 /nfs/dbraw/zinc/56/64/68/1297566468.db2.gz WVEOWYRDGMXRFC-HZPDHXFCSA-N 2 1 339.524 3.238 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400323600 1297728930 /nfs/dbraw/zinc/72/89/30/1297728930.db2.gz AQMAABTYBHMQFX-CVEARBPZSA-N 2 1 341.540 3.340 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400323600 1297728940 /nfs/dbraw/zinc/72/89/40/1297728940.db2.gz AQMAABTYBHMQFX-CVEARBPZSA-N 2 1 341.540 3.340 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400559346 1297731797 /nfs/dbraw/zinc/73/17/97/1297731797.db2.gz HIUQLNUCYYRZKF-PMPSAXMXSA-N 2 1 327.513 3.093 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400559346 1297731805 /nfs/dbraw/zinc/73/18/05/1297731805.db2.gz HIUQLNUCYYRZKF-PMPSAXMXSA-N 2 1 327.513 3.093 20 0 EGADMP CC(C)[C@H](C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C)[C@H](C)[NH3+] ZINC000404373748 1297751007 /nfs/dbraw/zinc/75/10/07/1297751007.db2.gz SKNPELMXKVGMEJ-JNIAIEOXSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)(C)OC(=O)NC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000699595033 1298170713 /nfs/dbraw/zinc/17/07/13/1298170713.db2.gz NFRZQHOCXSBPNZ-JKSUJKDBSA-N 2 1 337.508 3.040 20 0 EGADMP O[C@@H](CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000705878313 1298216162 /nfs/dbraw/zinc/21/61/62/1298216162.db2.gz MGBOMIQLSGKRJV-BDTNDASRSA-N 2 1 336.479 3.174 20 0 EGADMP O[C@@H](CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000705878313 1298216174 /nfs/dbraw/zinc/21/61/74/1298216174.db2.gz MGBOMIQLSGKRJV-BDTNDASRSA-N 2 1 336.479 3.174 20 0 EGADMP O[C@@H](CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000705878313 1298216184 /nfs/dbraw/zinc/21/61/84/1298216184.db2.gz MGBOMIQLSGKRJV-BDTNDASRSA-N 2 1 336.479 3.174 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc2c1OCO2 ZINC000708529798 1298239135 /nfs/dbraw/zinc/23/91/35/1298239135.db2.gz KUPXCEQCHALYSC-APWZRJJASA-N 2 1 338.451 3.273 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc2c1OCO2 ZINC000708529798 1298239147 /nfs/dbraw/zinc/23/91/47/1298239147.db2.gz KUPXCEQCHALYSC-APWZRJJASA-N 2 1 338.451 3.273 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000708522874 1298240981 /nfs/dbraw/zinc/24/09/81/1298240981.db2.gz YFRBMEASWZHOLG-HKUYNNGSSA-N 2 1 344.499 3.030 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H](C3CCC3)[C@H]3CCOC3)CC2)cc1 ZINC000711888324 1298261814 /nfs/dbraw/zinc/26/18/14/1298261814.db2.gz OHPPIGUIQJSCII-FPOVZHCZSA-N 2 1 328.500 3.446 20 0 EGADMP CC1(C)[C@H]([NH2+]C[C@H]([NH3+])CC(F)(F)F)C[C@H]1OCc1ccccc1 ZINC000717985413 1298305756 /nfs/dbraw/zinc/30/57/56/1298305756.db2.gz CFWDWHKSQVMZHP-RBSFLKMASA-N 2 1 330.394 3.240 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000724043652 1298345460 /nfs/dbraw/zinc/34/54/60/1298345460.db2.gz BSUQMECGRPIFAQ-BRWVUGGUSA-N 2 1 339.524 3.001 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1c(-c2ccccc2)nc2sccn12 ZINC000748095217 1298927259 /nfs/dbraw/zinc/92/72/59/1298927259.db2.gz NKKIIZDKHNQQKQ-UHFFFAOYSA-N 2 1 337.452 3.358 20 0 EGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000876781137 1298984140 /nfs/dbraw/zinc/98/41/40/1298984140.db2.gz CWLNSMQBLCODJD-KXBFYZLASA-N 2 1 335.923 3.106 20 0 EGADMP Cc1c(Cl)cccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000876781137 1298984146 /nfs/dbraw/zinc/98/41/46/1298984146.db2.gz CWLNSMQBLCODJD-KXBFYZLASA-N 2 1 335.923 3.106 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000876975337 1299096847 /nfs/dbraw/zinc/09/68/47/1299096847.db2.gz DCCFWGINQMIBSV-MMOPVJDHSA-N 2 1 336.483 3.365 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000876975337 1299096857 /nfs/dbraw/zinc/09/68/57/1299096857.db2.gz DCCFWGINQMIBSV-MMOPVJDHSA-N 2 1 336.483 3.365 20 0 EGADMP COCCc1ncc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000877524898 1299367717 /nfs/dbraw/zinc/36/77/17/1299367717.db2.gz JZBGXARSPWQTLD-UHFFFAOYSA-N 2 1 333.501 3.026 20 0 EGADMP COCCc1ncc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000877524898 1299367727 /nfs/dbraw/zinc/36/77/27/1299367727.db2.gz JZBGXARSPWQTLD-UHFFFAOYSA-N 2 1 333.501 3.026 20 0 EGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000877526331 1299369410 /nfs/dbraw/zinc/36/94/10/1299369410.db2.gz HYIUFGLLUZLKQP-UHFFFAOYSA-N 2 1 345.531 3.476 20 0 EGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000877526331 1299369422 /nfs/dbraw/zinc/36/94/22/1299369422.db2.gz HYIUFGLLUZLKQP-UHFFFAOYSA-N 2 1 345.531 3.476 20 0 EGADMP COC(=O)Cc1ccccc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754462303 1300148907 /nfs/dbraw/zinc/14/89/07/1300148907.db2.gz FAHGKDPYTIDTMX-APWZRJJASA-N 2 1 344.499 3.145 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000755064276 1300277286 /nfs/dbraw/zinc/27/72/86/1300277286.db2.gz KKUZOBWNFKNNED-IRXDYDNUSA-N 2 1 341.540 3.344 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000755064276 1300277290 /nfs/dbraw/zinc/27/72/90/1300277290.db2.gz KKUZOBWNFKNNED-IRXDYDNUSA-N 2 1 341.540 3.344 20 0 EGADMP Cc1cc2ncn(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c2cc1C ZINC000755778412 1300394814 /nfs/dbraw/zinc/39/48/14/1300394814.db2.gz MDMUKYQIXTWVCV-SFHVURJKSA-N 2 1 326.488 3.274 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000879579353 1300613873 /nfs/dbraw/zinc/61/38/73/1300613873.db2.gz ZQACLXHKOJLTSV-GDBMZVCRSA-N 2 1 328.378 3.154 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000879579353 1300613879 /nfs/dbraw/zinc/61/38/79/1300613879.db2.gz ZQACLXHKOJLTSV-GDBMZVCRSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000879579353 1300613885 /nfs/dbraw/zinc/61/38/85/1300613885.db2.gz ZQACLXHKOJLTSV-GDBMZVCRSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000879579353 1300613888 /nfs/dbraw/zinc/61/38/88/1300613888.db2.gz ZQACLXHKOJLTSV-GDBMZVCRSA-N 2 1 328.378 3.154 20 0 EGADMP COCC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCOCC1 ZINC000879710930 1300690222 /nfs/dbraw/zinc/69/02/22/1300690222.db2.gz RGMKETNRNCZSGB-UHFFFAOYSA-N 2 1 346.515 3.300 20 0 EGADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000879951383 1300799730 /nfs/dbraw/zinc/79/97/30/1300799730.db2.gz MKWZOYTZHLDWSA-SFHVURJKSA-N 2 1 336.520 3.055 20 0 EGADMP COc1cccc2cc(C[NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)oc21 ZINC000762479566 1301687807 /nfs/dbraw/zinc/68/78/07/1301687807.db2.gz HBCBIIOLPZSPCY-OAHLLOKOSA-N 2 1 332.444 3.032 20 0 EGADMP COc1cccc2cc(C[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)oc21 ZINC000762479566 1301687810 /nfs/dbraw/zinc/68/78/10/1301687810.db2.gz HBCBIIOLPZSPCY-OAHLLOKOSA-N 2 1 332.444 3.032 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2N)[C@@H](C)C1 ZINC000883003584 1302201524 /nfs/dbraw/zinc/20/15/24/1302201524.db2.gz WLGRPEWEMSJWSW-YOEHRIQHSA-N 2 1 339.911 3.149 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2N)[C@@H](C)C1 ZINC000883003584 1302201526 /nfs/dbraw/zinc/20/15/26/1302201526.db2.gz WLGRPEWEMSJWSW-YOEHRIQHSA-N 2 1 339.911 3.149 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Br)cc2F)[C@H](C)C1 ZINC000765872081 1302343313 /nfs/dbraw/zinc/34/33/13/1302343313.db2.gz UPEDCDHGCMGOFV-MLGOLLRUSA-N 2 1 343.284 3.451 20 0 EGADMP c1ccc2c(c1)OC1(CCOCC1)C[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000883383635 1302424319 /nfs/dbraw/zinc/42/43/19/1302424319.db2.gz CLWHOKDREHLKLS-SCTDSRPQSA-N 2 1 342.483 3.276 20 0 EGADMP c1ccc2c(c1)OC1(CCOCC1)C[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883383635 1302424324 /nfs/dbraw/zinc/42/43/24/1302424324.db2.gz CLWHOKDREHLKLS-SCTDSRPQSA-N 2 1 342.483 3.276 20 0 EGADMP Cc1[nH+]ccn1CCCOC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000767632329 1302725961 /nfs/dbraw/zinc/72/59/61/1302725961.db2.gz KXAHQYMXMLNTGX-IBGZPJMESA-N 2 1 341.455 3.037 20 0 EGADMP Cc1[nH+]ccn1CCCOC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000767632329 1302725975 /nfs/dbraw/zinc/72/59/75/1302725975.db2.gz KXAHQYMXMLNTGX-IBGZPJMESA-N 2 1 341.455 3.037 20 0 EGADMP C[C@H](C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000769682846 1303157178 /nfs/dbraw/zinc/15/71/78/1303157178.db2.gz BGLNFLZBCSJLDD-LTIDMASMSA-N 2 1 341.540 3.388 20 0 EGADMP C[C@H](C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000769682846 1303157181 /nfs/dbraw/zinc/15/71/81/1303157181.db2.gz BGLNFLZBCSJLDD-LTIDMASMSA-N 2 1 341.540 3.388 20 0 EGADMP CC(C)[C@@H](C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000769685776 1303157273 /nfs/dbraw/zinc/15/72/73/1303157273.db2.gz UEPUHNONGQBEBO-BRWVUGGUSA-N 2 1 341.540 3.388 20 0 EGADMP C[NH+](CC[C@H]1CCCO1)[C@H]1CC[C@H]([N@@H+](C)CC[C@H]2CCCO2)CC1 ZINC000886389822 1303453638 /nfs/dbraw/zinc/45/36/38/1303453638.db2.gz ZAUQPYOQCAEBJL-UAFMIMERSA-N 2 1 338.536 3.299 20 0 EGADMP C[NH+](CC[C@@H]1CCCO1)[C@H]1CC[C@H]([N@@H+](C)CC[C@H]2CCCO2)CC1 ZINC000886389820 1303454464 /nfs/dbraw/zinc/45/44/64/1303454464.db2.gz ZAUQPYOQCAEBJL-HKJRMUSSSA-N 2 1 338.536 3.299 20 0 EGADMP C[NH+](CC[C@H]1CCCO1)[C@H]1CC[C@H]([N@H+](C)CC[C@@H]2CCCO2)CC1 ZINC000886389820 1303454468 /nfs/dbraw/zinc/45/44/68/1303454468.db2.gz ZAUQPYOQCAEBJL-HKJRMUSSSA-N 2 1 338.536 3.299 20 0 EGADMP C[NH+](CC[C@H]1CCCO1)[C@H]1CC[C@H]([N@@H+](C)CC[C@@H]2CCCO2)CC1 ZINC000886389820 1303454471 /nfs/dbraw/zinc/45/44/71/1303454471.db2.gz ZAUQPYOQCAEBJL-HKJRMUSSSA-N 2 1 338.536 3.299 20 0 EGADMP COc1nc(C)cc(C)c1C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886661009 1303542377 /nfs/dbraw/zinc/54/23/77/1303542377.db2.gz KHPMLXNHPLORSM-UHFFFAOYSA-N 2 1 328.460 3.427 20 0 EGADMP Cc1[nH]c(C2CC[NH+](CC(=O)N(C(C)C)C3CCCC3)CC2)[nH+]c1C ZINC000886664551 1303545850 /nfs/dbraw/zinc/54/58/50/1303545850.db2.gz PQWJNZQBVGMBCW-UHFFFAOYSA-N 2 1 346.519 3.386 20 0 EGADMP COC(=O)c1cc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)oc1C ZINC000886670390 1303549801 /nfs/dbraw/zinc/54/98/01/1303549801.db2.gz NYFHHDYULULJOD-UHFFFAOYSA-N 2 1 331.416 3.094 20 0 EGADMP C[N@@H+](CCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)Cc1ccccc1 ZINC000775367077 1303947078 /nfs/dbraw/zinc/94/70/78/1303947078.db2.gz VUVMKAZUSDLENF-FGTMMUONSA-N 2 1 336.570 3.478 20 0 EGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CCCCC1 ZINC000775623666 1303996914 /nfs/dbraw/zinc/99/69/14/1303996914.db2.gz TZCCGLAARRHAQK-CVEARBPZSA-N 2 1 339.524 3.286 20 0 EGADMP Cc1cc(C)[nH+]c(N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000777255896 1304276170 /nfs/dbraw/zinc/27/61/70/1304276170.db2.gz JPTYRYZFMWLCBC-HKUYNNGSSA-N 2 1 325.456 3.400 20 0 EGADMP Cc1cc(C)[nH+]c(N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000777255896 1304276176 /nfs/dbraw/zinc/27/61/76/1304276176.db2.gz JPTYRYZFMWLCBC-HKUYNNGSSA-N 2 1 325.456 3.400 20 0 EGADMP C[C@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CC[N@H+]1C ZINC000777675979 1304333328 /nfs/dbraw/zinc/33/33/28/1304333328.db2.gz RIWRTEOZBXQORA-DOTOQJQBSA-N 2 1 348.510 3.251 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000892510616 1305413114 /nfs/dbraw/zinc/41/31/14/1305413114.db2.gz OUVNGJZHCSVMJE-SNVBAGLBSA-N 2 1 332.395 3.179 20 0 EGADMP CCn1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000893412268 1305882425 /nfs/dbraw/zinc/88/24/25/1305882425.db2.gz LQZGQRUOSCWLNV-QFBILLFUSA-N 2 1 326.488 3.212 20 0 EGADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000791127975 1308925389 /nfs/dbraw/zinc/92/53/89/1308925389.db2.gz MJRBKCPCQPISFK-UHFFFAOYSA-N 2 1 341.459 3.169 20 0 EGADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000791127975 1308925384 /nfs/dbraw/zinc/92/53/84/1308925384.db2.gz MJRBKCPCQPISFK-UHFFFAOYSA-N 2 1 341.459 3.169 20 0 EGADMP CC(C)(C)OC(=O)N1CC=C(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000793330454 1309349284 /nfs/dbraw/zinc/34/92/84/1309349284.db2.gz IZPPVQMYOSGHNC-ROUUACIJSA-N 2 1 349.519 3.160 20 0 EGADMP C[N@@H+](Cc1cnn(Cc2ccccc2)c1Cl)CC1CC[NH+](C)CC1 ZINC000793581902 1309410119 /nfs/dbraw/zinc/41/01/19/1309410119.db2.gz YMINGBDFHPBDHF-UHFFFAOYSA-N 2 1 346.906 3.358 20 0 EGADMP C[N@H+](Cc1cnn(Cc2ccccc2)c1Cl)CC1CC[NH+](C)CC1 ZINC000793581902 1309410127 /nfs/dbraw/zinc/41/01/27/1309410127.db2.gz YMINGBDFHPBDHF-UHFFFAOYSA-N 2 1 346.906 3.358 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn(C)nc1C1CC1 ZINC000895693990 1309469825 /nfs/dbraw/zinc/46/98/25/1309469825.db2.gz OMOOGXYVVMEUMT-APWZRJJASA-N 2 1 338.499 3.155 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2COC(C)(C)OC2)CC1 ZINC000796933282 1310111724 /nfs/dbraw/zinc/11/17/24/1310111724.db2.gz DJKNEYUPFUWHDX-UHFFFAOYSA-N 2 1 332.488 3.171 20 0 EGADMP CC[C@@H](C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000798526290 1310383044 /nfs/dbraw/zinc/38/30/44/1310383044.db2.gz CCWLZARXIKRVPK-FPOVZHCZSA-N 2 1 345.531 3.135 20 0 EGADMP CCOc1ccc(OCC[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000799179113 1310499811 /nfs/dbraw/zinc/49/98/11/1310499811.db2.gz CPMWLNLOSTXWFB-UHFFFAOYSA-N 2 1 332.488 3.272 20 0 EGADMP C[C@@]1(C[NH2+][C@H]2CCC23CCOCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000800490741 1310767875 /nfs/dbraw/zinc/76/78/75/1310767875.db2.gz JPCUWFYQGRZKEJ-PMACEKPBSA-N 2 1 328.500 3.447 20 0 EGADMP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000899204730 1310979129 /nfs/dbraw/zinc/97/91/29/1310979129.db2.gz FYMZHIWKHGRPLO-IBGZPJMESA-N 2 1 347.547 3.260 20 0 EGADMP Cc1c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)sc2nc(C)nc(C)c12 ZINC000839183058 1320889144 /nfs/dbraw/zinc/88/91/44/1320889144.db2.gz SNGZBQJTTQXZBP-OAHLLOKOSA-N 2 1 332.517 3.438 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1cccc(Cl)c1 ZINC001018971758 1316991161 /nfs/dbraw/zinc/99/11/61/1316991161.db2.gz RHYUCUNDCQORAT-PBHICJAKSA-N 2 1 349.906 3.076 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001019468018 1317262661 /nfs/dbraw/zinc/26/26/61/1317262661.db2.gz CEQKMTBNKQYJFC-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001019468535 1317263985 /nfs/dbraw/zinc/26/39/85/1317263985.db2.gz ZCLOAIDUWUZRLS-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000900466985 1317291573 /nfs/dbraw/zinc/29/15/73/1317291573.db2.gz XXKRKVAGTBTDFR-FDYSRKEFSA-N 2 1 335.536 3.164 20 0 EGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900530160 1317301465 /nfs/dbraw/zinc/30/14/65/1317301465.db2.gz VSTITPNQFXPILS-VQTJNVASSA-N 2 1 343.515 3.114 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)C1 ZINC000900713345 1317327145 /nfs/dbraw/zinc/32/71/45/1317327145.db2.gz YZDFLICUVVVFHG-FYQPLNBISA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC000900713345 1317327154 /nfs/dbraw/zinc/32/71/54/1317327154.db2.gz YZDFLICUVVVFHG-FYQPLNBISA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC000900713345 1317327163 /nfs/dbraw/zinc/32/71/63/1317327163.db2.gz YZDFLICUVVVFHG-FYQPLNBISA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@H+]1CC)C1CN([C@H](C)c2ccccc2)C1 ZINC000957420112 1317346928 /nfs/dbraw/zinc/34/69/28/1317346928.db2.gz FTBIUEPCKQOBEF-YLJYHZDGSA-N 2 1 343.515 3.155 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C1C[NH+](CCC2CCCCC2)C1 ZINC000957424325 1317349077 /nfs/dbraw/zinc/34/90/77/1317349077.db2.gz NZYPYPPYGBLVRG-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCC([N@H+](C)Cc2cnc(N(C)C)c3ccccc23)CC1 ZINC000929777516 1328696576 /nfs/dbraw/zinc/69/65/76/1328696576.db2.gz BYXNYCGIDYNZKO-UHFFFAOYSA-N 2 1 326.488 3.217 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)Cc2cnc(N(C)C)c3ccccc23)CC1 ZINC000929777516 1328696594 /nfs/dbraw/zinc/69/65/94/1328696594.db2.gz BYXNYCGIDYNZKO-UHFFFAOYSA-N 2 1 326.488 3.217 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001019822954 1317439775 /nfs/dbraw/zinc/43/97/75/1317439775.db2.gz RBYPYXOHHWHUQT-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](CC(C)C)CC2 ZINC000957555411 1317452326 /nfs/dbraw/zinc/45/23/26/1317452326.db2.gz BJOHEWUAQPNCOZ-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](CC)CC2CCC2)CC1 ZINC000957720189 1317586882 /nfs/dbraw/zinc/58/68/82/1317586882.db2.gz IQYIYDFYNLAPPW-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC(C[N@H+](CC)CC2CCC2)CC1 ZINC000957720189 1317586888 /nfs/dbraw/zinc/58/68/88/1317586888.db2.gz IQYIYDFYNLAPPW-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](CC)CC2CCC2)CC1 ZINC000957720189 1317586891 /nfs/dbraw/zinc/58/68/91/1317586891.db2.gz IQYIYDFYNLAPPW-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1)C(C)C ZINC000957759861 1317625382 /nfs/dbraw/zinc/62/53/82/1317625382.db2.gz FLVIJXRWMOOVON-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP c1nn(-c2ccccc2)cc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903067423 1317646976 /nfs/dbraw/zinc/64/69/76/1317646976.db2.gz PSMVPLSTFFNFOY-PRJVBOEPSA-N 2 1 336.483 3.162 20 0 EGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc3c(c1)CCC3)C2 ZINC000903116314 1317655792 /nfs/dbraw/zinc/65/57/92/1317655792.db2.gz GSZJTFFBZMZZRV-OKXHKQLBSA-N 2 1 342.527 3.306 20 0 EGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C2 ZINC000903115488 1317656416 /nfs/dbraw/zinc/65/64/16/1317656416.db2.gz BVGPSAOSTKDDIQ-IQRYMVJYSA-N 2 1 338.442 3.095 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000903258381 1317681154 /nfs/dbraw/zinc/68/11/54/1317681154.db2.gz BJUJRYSLSSLGLZ-VMXMFDLUSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000903258381 1317681158 /nfs/dbraw/zinc/68/11/58/1317681158.db2.gz BJUJRYSLSSLGLZ-VMXMFDLUSA-N 2 1 330.516 3.428 20 0 EGADMP Brc1cncc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000903565688 1317708027 /nfs/dbraw/zinc/70/80/27/1317708027.db2.gz BOOZISWBSIOLMC-CZUORRHYSA-N 2 1 338.293 3.371 20 0 EGADMP CC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C)Cc1ccc(OC)cc1 ZINC000903723584 1317724859 /nfs/dbraw/zinc/72/48/59/1317724859.db2.gz IVQGYXZQXSJQGH-PXNSSMCTSA-N 2 1 346.515 3.107 20 0 EGADMP Cc1ccc(C[C@@H]2CCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903730386 1317727135 /nfs/dbraw/zinc/72/71/35/1317727135.db2.gz WBVLBAJUAIOTBT-PMACEKPBSA-N 2 1 328.500 3.161 20 0 EGADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)s1 ZINC000903739765 1317728578 /nfs/dbraw/zinc/72/85/78/1317728578.db2.gz OYQUGCYXCXFSNT-HUUCEWRRSA-N 2 1 337.533 3.165 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001020502904 1317732371 /nfs/dbraw/zinc/73/23/71/1317732371.db2.gz XBQLSIODICSMGE-BJLQDIEVSA-N 2 1 347.547 3.211 20 0 EGADMP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2cn3cc(Cl)ccc3n2)CCC1 ZINC000903814117 1317736826 /nfs/dbraw/zinc/73/68/26/1317736826.db2.gz KEDLWLOWORGQIK-MRXNPFEDSA-N 2 1 332.879 3.471 20 0 EGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2cn3cc(Cl)ccc3n2)CCC1 ZINC000903814117 1317736833 /nfs/dbraw/zinc/73/68/33/1317736833.db2.gz KEDLWLOWORGQIK-MRXNPFEDSA-N 2 1 332.879 3.471 20 0 EGADMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903913073 1317747137 /nfs/dbraw/zinc/74/71/37/1317747137.db2.gz LEOOYMZUYYYOQQ-DVMWJLJYSA-N 2 1 328.500 3.094 20 0 EGADMP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903922640 1317748672 /nfs/dbraw/zinc/74/86/72/1317748672.db2.gz BDDVZWGNNPCIAB-PSASIEDQSA-N 2 1 339.199 3.091 20 0 EGADMP C[NH+](C)CCOc1cccc(-c2noc(C[N@@H+](C)CC(C)(C)C)n2)c1 ZINC000904005304 1317766811 /nfs/dbraw/zinc/76/68/11/1317766811.db2.gz YFARRMSSHMXPGJ-UHFFFAOYSA-N 2 1 346.475 3.155 20 0 EGADMP CN(C)c1ncc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc21 ZINC000929848427 1328718747 /nfs/dbraw/zinc/71/87/47/1328718747.db2.gz SCGUXNUQEJXAAU-JXFKEZNVSA-N 2 1 338.499 3.217 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc([C@@H](C)O)s2)CC1 ZINC000809545763 1317829253 /nfs/dbraw/zinc/82/92/53/1317829253.db2.gz IQMJJBUSHKLEDE-CQSZACIVSA-N 2 1 325.522 3.140 20 0 EGADMP COc1cccc(C[N@H+](C[C@H]2CCCO2)C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000904313655 1317829332 /nfs/dbraw/zinc/82/93/32/1317829332.db2.gz JFYBHTJDHBFKPM-UXHICEINSA-N 2 1 332.488 3.066 20 0 EGADMP COc1cccc(C[N@@H+](C[C@H]2CCCO2)C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000904313655 1317829346 /nfs/dbraw/zinc/82/93/46/1317829346.db2.gz JFYBHTJDHBFKPM-UXHICEINSA-N 2 1 332.488 3.066 20 0 EGADMP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000904372666 1317838702 /nfs/dbraw/zinc/83/87/02/1317838702.db2.gz FYRJDSDXPGCAES-RBUKOAKNSA-N 2 1 348.531 3.260 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000810129567 1317959210 /nfs/dbraw/zinc/95/92/10/1317959210.db2.gz VVMBFLUEQLOLSM-MRXNPFEDSA-N 2 1 340.471 3.449 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)c2cccc(C)c2)cc1F ZINC000905918482 1318019249 /nfs/dbraw/zinc/01/92/49/1318019249.db2.gz HTCCLNVACHPRTQ-FQEVSTJZSA-N 2 1 339.414 3.451 20 0 EGADMP O[C@@H](C[N@H+](CCc1ccccc1)Cc1ccccc1)C[NH+]1CCCC1 ZINC000906641645 1318133002 /nfs/dbraw/zinc/13/30/02/1318133002.db2.gz YELVLIDCMUKIHT-JOCHJYFZSA-N 2 1 338.495 3.188 20 0 EGADMP O[C@@H](C[N@@H+](CCc1ccccc1)Cc1ccccc1)C[NH+]1CCCC1 ZINC000906641645 1318133005 /nfs/dbraw/zinc/13/30/05/1318133005.db2.gz YELVLIDCMUKIHT-JOCHJYFZSA-N 2 1 338.495 3.188 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCC2CCCC2)C1 ZINC001021438032 1318250729 /nfs/dbraw/zinc/25/07/29/1318250729.db2.gz NDZGQVZKMONXLX-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2CCCC2)C1 ZINC001021438032 1318250732 /nfs/dbraw/zinc/25/07/32/1318250732.db2.gz NDZGQVZKMONXLX-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CCCC2)C1 ZINC001021438032 1318250739 /nfs/dbraw/zinc/25/07/39/1318250739.db2.gz NDZGQVZKMONXLX-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCCC2)CC[N@H+]1C ZINC000960009308 1318311832 /nfs/dbraw/zinc/31/18/32/1318311832.db2.gz ZKKGZZGXVKSRIU-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(N(C)C)c3ccccc23)[C@H](C)C1 ZINC000930001787 1328761967 /nfs/dbraw/zinc/76/19/67/1328761967.db2.gz WFHANCGDNFSCKR-OXQOHEQNSA-N 2 1 340.515 3.463 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(N(C)C)c3ccccc23)[C@H](C)C1 ZINC000930001787 1328761972 /nfs/dbraw/zinc/76/19/72/1328761972.db2.gz WFHANCGDNFSCKR-OXQOHEQNSA-N 2 1 340.515 3.463 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(N(C)C)c3ccccc23)[C@H](C)C1 ZINC000930001787 1328761976 /nfs/dbraw/zinc/76/19/76/1328761976.db2.gz WFHANCGDNFSCKR-OXQOHEQNSA-N 2 1 340.515 3.463 20 0 EGADMP CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC000960271819 1318437828 /nfs/dbraw/zinc/43/78/28/1318437828.db2.gz VTLDCSHBVHKFET-YFVAEKQCSA-N 2 1 343.515 3.030 20 0 EGADMP Oc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000812720033 1318443728 /nfs/dbraw/zinc/44/37/28/1318443728.db2.gz XZLJDVIMKTXMLI-LPHOPBHVSA-N 2 1 330.472 3.003 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC ZINC000960324171 1318461274 /nfs/dbraw/zinc/46/12/74/1318461274.db2.gz LIFFHYANTZSRAU-VAMGGRTRSA-N 2 1 343.515 3.033 20 0 EGADMP C[N@H+]1CC[C@H](CNc2cc[nH+]c(CO)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000858461377 1328768743 /nfs/dbraw/zinc/76/87/43/1328768743.db2.gz SDBCFKGMBSCOCJ-FZKQIMNGSA-N 2 1 349.837 3.471 20 0 EGADMP CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021682595 1318554917 /nfs/dbraw/zinc/55/49/17/1318554917.db2.gz RTYCQYMSNMDYAK-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001021682595 1318554921 /nfs/dbraw/zinc/55/49/21/1318554921.db2.gz RTYCQYMSNMDYAK-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739750 1318648133 /nfs/dbraw/zinc/64/81/33/1318648133.db2.gz MWCGOTHSCDPRLH-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC000960639416 1318759534 /nfs/dbraw/zinc/75/95/34/1318759534.db2.gz BOSIFTCGDLTOSG-SJLPKXTDSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC000960639416 1318759539 /nfs/dbraw/zinc/75/95/39/1318759539.db2.gz BOSIFTCGDLTOSG-SJLPKXTDSA-N 2 1 346.519 3.120 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C)CC1CCCCC1 ZINC000960686932 1318793349 /nfs/dbraw/zinc/79/33/49/1318793349.db2.gz ZEGAHXSODIGIEF-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C)CC1CCCCC1 ZINC000960686932 1318793355 /nfs/dbraw/zinc/79/33/55/1318793355.db2.gz ZEGAHXSODIGIEF-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C)CC1CCCCC1 ZINC000960686932 1318793358 /nfs/dbraw/zinc/79/33/58/1318793358.db2.gz ZEGAHXSODIGIEF-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](C[C@H]1CCCN1C(=O)CCn1ccnc1)CC1CCCCCC1 ZINC000960774303 1318874263 /nfs/dbraw/zinc/87/42/63/1318874263.db2.gz IJKFXXFDETVYRQ-LJQANCHMSA-N 2 1 346.519 3.166 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)c1ccccc1Cl ZINC001022291371 1318881816 /nfs/dbraw/zinc/88/18/16/1318881816.db2.gz YKHRHIYYNQAUFJ-OIPACUDHSA-N 2 1 349.906 3.122 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC000960787529 1318889372 /nfs/dbraw/zinc/88/93/72/1318889372.db2.gz NTJMXKRQFGTKJT-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CCSc1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000930138468 1328795375 /nfs/dbraw/zinc/79/53/75/1328795375.db2.gz ZZIQASDQOOGPDK-PKOBYXMFSA-N 2 1 347.572 3.256 20 0 EGADMP Cc1[nH+]ccn1CCCCOC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815445686 1318987412 /nfs/dbraw/zinc/98/74/12/1318987412.db2.gz GGONDQQOIRWKIZ-SFHVURJKSA-N 2 1 333.476 3.312 20 0 EGADMP Cc1[nH+]ccn1CCCCOC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815445686 1318987421 /nfs/dbraw/zinc/98/74/21/1318987421.db2.gz GGONDQQOIRWKIZ-SFHVURJKSA-N 2 1 333.476 3.312 20 0 EGADMP C[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1)[NH+]1CCCCCC1 ZINC000960916766 1319061674 /nfs/dbraw/zinc/06/16/74/1319061674.db2.gz NZCTUKXEXLJDRD-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1)[NH+]1CCCCCC1 ZINC000960916764 1319063238 /nfs/dbraw/zinc/06/32/38/1319063238.db2.gz NZCTUKXEXLJDRD-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)cc1 ZINC001022711590 1319079855 /nfs/dbraw/zinc/07/98/55/1319079855.db2.gz BTTJULUDPOIUDZ-AHRSYUTCSA-N 2 1 343.515 3.031 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001022838528 1319133869 /nfs/dbraw/zinc/13/38/69/1319133869.db2.gz QLXDISYNNBNROU-IYWMVGAKSA-N 2 1 347.547 3.211 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC000961029259 1319152677 /nfs/dbraw/zinc/15/26/77/1319152677.db2.gz UPVNBVCHHJYYTQ-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000961031126 1319154420 /nfs/dbraw/zinc/15/44/20/1319154420.db2.gz IYMNMGMNYIJLPY-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC000961031126 1319154422 /nfs/dbraw/zinc/15/44/22/1319154422.db2.gz IYMNMGMNYIJLPY-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC000961031126 1319154427 /nfs/dbraw/zinc/15/44/27/1319154427.db2.gz IYMNMGMNYIJLPY-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCCC1 ZINC000961033368 1319157951 /nfs/dbraw/zinc/15/79/51/1319157951.db2.gz ZDHUEVJIXAXPHV-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1nccn1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCCC1 ZINC000961035068 1319159282 /nfs/dbraw/zinc/15/92/82/1319159282.db2.gz OQRLOWUSSQZYFA-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCCC1 ZINC000961035068 1319159288 /nfs/dbraw/zinc/15/92/88/1319159288.db2.gz OQRLOWUSSQZYFA-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCCC1 ZINC000961035068 1319159290 /nfs/dbraw/zinc/15/92/90/1319159290.db2.gz OQRLOWUSSQZYFA-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)c1ccc2c[nH+]cn2c1 ZINC000816451949 1319159915 /nfs/dbraw/zinc/15/99/15/1319159915.db2.gz UFEKRERXWOOXFM-UZLBHIALSA-N 2 1 349.434 3.402 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001023084499 1319256220 /nfs/dbraw/zinc/25/62/20/1319256220.db2.gz QQBPTJGRGVVWAS-XLNTUCKNSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001023131180 1319275100 /nfs/dbraw/zinc/27/51/00/1319275100.db2.gz ZSRYLULUNJPMMG-OTWHNJEPSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961188695 1319301697 /nfs/dbraw/zinc/30/16/97/1319301697.db2.gz XBWPBMINYUWRMA-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000817906215 1319456559 /nfs/dbraw/zinc/45/65/59/1319456559.db2.gz YMNVMAMPKCYPEV-KNXBSLHKSA-N 2 1 334.463 3.421 20 0 EGADMP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)c2ccccc21 ZINC000817928909 1319463866 /nfs/dbraw/zinc/46/38/66/1319463866.db2.gz HUYJYTZVEFBGCK-YESZJQIVSA-N 2 1 347.256 3.217 20 0 EGADMP Cc1cc(Cl)nc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000817933169 1319465012 /nfs/dbraw/zinc/46/50/12/1319465012.db2.gz YYDUWDUEHRESRR-APWZRJJASA-N 2 1 343.858 3.389 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1C[NH+]1CCCCC1 ZINC000817964882 1319479850 /nfs/dbraw/zinc/47/98/50/1319479850.db2.gz IICCKQCCCRWPLE-KXBFYZLASA-N 3 1 331.504 3.069 20 0 EGADMP CCCC[N@H+]1CCC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023400147 1319506488 /nfs/dbraw/zinc/50/64/88/1319506488.db2.gz AWBQBMQJCVHKSB-OAHLLOKOSA-N 2 1 337.533 3.052 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023404019 1319512254 /nfs/dbraw/zinc/51/22/54/1319512254.db2.gz PBDNPFIBOBFIJU-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001023404019 1319512260 /nfs/dbraw/zinc/51/22/60/1319512260.db2.gz PBDNPFIBOBFIJU-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001023404019 1319512268 /nfs/dbraw/zinc/51/22/68/1319512268.db2.gz PBDNPFIBOBFIJU-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001023413714 1319516295 /nfs/dbraw/zinc/51/62/95/1319516295.db2.gz IBIGQZKFHWNBLI-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+](CC2CCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001023413714 1319516305 /nfs/dbraw/zinc/51/63/05/1319516305.db2.gz IBIGQZKFHWNBLI-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+](CC2CCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001023413714 1319516311 /nfs/dbraw/zinc/51/63/11/1319516311.db2.gz IBIGQZKFHWNBLI-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961372897 1319527855 /nfs/dbraw/zinc/52/78/55/1319527855.db2.gz DXEDBNQKDJDLLG-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(C(C)(C)C)cc1)CC[NH2+]CC2 ZINC000818339687 1319529402 /nfs/dbraw/zinc/52/94/02/1319529402.db2.gz CYRVARMQDGNCHL-INIZCTEOSA-N 2 1 343.515 3.387 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961373592 1319529824 /nfs/dbraw/zinc/52/98/24/1319529824.db2.gz HZGSPLLBTNCEQL-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961373592 1319529829 /nfs/dbraw/zinc/52/98/29/1319529829.db2.gz HZGSPLLBTNCEQL-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000961373592 1319529838 /nfs/dbraw/zinc/52/98/38/1319529838.db2.gz HZGSPLLBTNCEQL-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000819182152 1319659195 /nfs/dbraw/zinc/65/91/95/1319659195.db2.gz JIMCTHOHQCCGGW-KDOFPFPSSA-N 2 1 342.886 3.470 20 0 EGADMP C[N@@H+](CCCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C1CC1 ZINC000819360309 1319709422 /nfs/dbraw/zinc/70/94/22/1319709422.db2.gz CGLIPEBUXBXKAU-MRXNPFEDSA-N 2 1 331.287 3.491 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632254 1319753154 /nfs/dbraw/zinc/75/31/54/1319753154.db2.gz IDTKPZURVXEGAS-MOPGFXCFSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632254 1319753159 /nfs/dbraw/zinc/75/31/59/1319753159.db2.gz IDTKPZURVXEGAS-MOPGFXCFSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632254 1319753163 /nfs/dbraw/zinc/75/31/63/1319753163.db2.gz IDTKPZURVXEGAS-MOPGFXCFSA-N 2 1 335.536 3.044 20 0 EGADMP O=C(NC1CC(C[NH2+]CC2CCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000961927810 1319775718 /nfs/dbraw/zinc/77/57/18/1319775718.db2.gz VBEKRIKEMUFQBH-AFMYVXGZSA-N 2 1 347.547 3.068 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC000961993093 1319795651 /nfs/dbraw/zinc/79/56/51/1319795651.db2.gz QELWBTJVUVUXQS-ACBHZAAOSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(C2CC2)nn1C ZINC000823961118 1320218631 /nfs/dbraw/zinc/21/86/31/1320218631.db2.gz LVLNIALXWHOWLL-OXJNMPFZSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(C2CC2)nn1C ZINC000823961118 1320218632 /nfs/dbraw/zinc/21/86/32/1320218632.db2.gz LVLNIALXWHOWLL-OXJNMPFZSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(C2CC2)nn1C ZINC000823961118 1320218635 /nfs/dbraw/zinc/21/86/35/1320218635.db2.gz LVLNIALXWHOWLL-OXJNMPFZSA-N 2 1 338.499 3.298 20 0 EGADMP CCOC(=O)CC(C)(C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000838896373 1320831200 /nfs/dbraw/zinc/83/12/00/1320831200.db2.gz ZLHRGEIPMSEHAL-UHFFFAOYSA-N 2 1 332.488 3.220 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000859112238 1328925464 /nfs/dbraw/zinc/92/54/64/1328925464.db2.gz HGLFEHDCEDIPSQ-UHFFFAOYSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000840810034 1321154291 /nfs/dbraw/zinc/15/42/91/1321154291.db2.gz NPYGCSBTQUTERW-IAGOWNOFSA-N 2 1 345.487 3.416 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC(=O)CC)c(OCC)c2)CC1 ZINC000840873082 1321166505 /nfs/dbraw/zinc/16/65/05/1321166505.db2.gz QVHCBGPHGDCANT-UHFFFAOYSA-N 2 1 348.487 3.365 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1OC(=O)CC ZINC000840903007 1321173222 /nfs/dbraw/zinc/17/32/22/1321173222.db2.gz KGGQGVFOTPSBNP-DLBZAZTESA-N 2 1 348.487 3.363 20 0 EGADMP Cc1cc(C)cc(NC(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859214223 1328948309 /nfs/dbraw/zinc/94/83/09/1328948309.db2.gz GMPIODCTFJZXDR-UHFFFAOYSA-N 2 1 339.483 3.436 20 0 EGADMP Cc1cc(C)cc(NC(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859214223 1328948313 /nfs/dbraw/zinc/94/83/13/1328948313.db2.gz GMPIODCTFJZXDR-UHFFFAOYSA-N 2 1 339.483 3.436 20 0 EGADMP CC(C)n1ncc2cc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c(Cl)nc21 ZINC000843058187 1321464105 /nfs/dbraw/zinc/46/41/05/1321464105.db2.gz OATOFVDFZZUNGU-MAZHCROVSA-N 2 1 347.894 3.225 20 0 EGADMP CC(C)n1ncc2cc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c(Cl)nc21 ZINC000843058187 1321464109 /nfs/dbraw/zinc/46/41/09/1321464109.db2.gz OATOFVDFZZUNGU-MAZHCROVSA-N 2 1 347.894 3.225 20 0 EGADMP CC[C@@H](C)Oc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OC ZINC000843120163 1321473409 /nfs/dbraw/zinc/47/34/09/1321473409.db2.gz FVLVOYMKEODADV-MRXNPFEDSA-N 2 1 332.488 3.448 20 0 EGADMP CC[N@@H+](Cc1ccc(-c2nc(C3CC[NH2+]CC3)no2)cc1)C(C)C ZINC000843139005 1321476158 /nfs/dbraw/zinc/47/61/58/1321476158.db2.gz NQLMGKZFZCSITL-UHFFFAOYSA-N 2 1 328.460 3.434 20 0 EGADMP CC[NH2+]Cc1noc(-c2cccc(C[N@H+](C)Cc3ccccc3)c2)n1 ZINC000843141036 1321476800 /nfs/dbraw/zinc/47/68/00/1321476800.db2.gz HMYYCUGHSCNZEO-UHFFFAOYSA-N 2 1 336.439 3.478 20 0 EGADMP CC[NH2+]Cc1noc(-c2cccc(C[N@@H+](C)Cc3ccccc3)c2)n1 ZINC000843141036 1321476803 /nfs/dbraw/zinc/47/68/03/1321476803.db2.gz HMYYCUGHSCNZEO-UHFFFAOYSA-N 2 1 336.439 3.478 20 0 EGADMP [NH3+]CCCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000843342407 1321502671 /nfs/dbraw/zinc/50/26/71/1321502671.db2.gz QGNCFQYVTNUULG-NJDAHSKKSA-N 3 1 329.532 3.396 20 0 EGADMP C[N@@H+](CCOc1cc(F)cc(Br)c1)C1CCC([NH3+])CC1 ZINC000843354976 1321505456 /nfs/dbraw/zinc/50/54/56/1321505456.db2.gz HMZICSXRJBFGOF-UHFFFAOYSA-N 2 1 345.256 3.169 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000843368453 1321507658 /nfs/dbraw/zinc/50/76/58/1321507658.db2.gz SGHFLLKEUOJIJY-UDDICAGYSA-N 2 1 337.467 3.226 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000843368453 1321507661 /nfs/dbraw/zinc/50/76/61/1321507661.db2.gz SGHFLLKEUOJIJY-UDDICAGYSA-N 2 1 337.467 3.226 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843378133 1321508976 /nfs/dbraw/zinc/50/89/76/1321508976.db2.gz SQTPTHBHLKUGAI-JKSUJKDBSA-N 2 1 331.504 3.372 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)c2cc1C(C)C ZINC000843382397 1321509509 /nfs/dbraw/zinc/50/95/09/1321509509.db2.gz OSRBRQADEBUYGF-FQEVSTJZSA-N 2 1 328.456 3.396 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@@](C)(C[NH3+])C3)c2cc1C(C)C ZINC000843382397 1321509512 /nfs/dbraw/zinc/50/95/12/1321509512.db2.gz OSRBRQADEBUYGF-FQEVSTJZSA-N 2 1 328.456 3.396 20 0 EGADMP C[NH+](C)C1(C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)CCCC1 ZINC000845921081 1321754112 /nfs/dbraw/zinc/75/41/12/1321754112.db2.gz MXWPZZCJEJDPRZ-UHFFFAOYSA-N 2 1 339.524 3.144 20 0 EGADMP CC[N@H+](CCC[NH2+]Cc1ccc2c(c1)oc(=O)n2C)C1CCCCC1 ZINC000846022279 1321763417 /nfs/dbraw/zinc/76/34/17/1321763417.db2.gz LFPFGNFLOHKIAJ-UHFFFAOYSA-N 2 1 345.487 3.266 20 0 EGADMP CC[N@@H+](CCC[NH2+]Cc1ccc2c(c1)oc(=O)n2C)C1CCCCC1 ZINC000846022279 1321763422 /nfs/dbraw/zinc/76/34/22/1321763422.db2.gz LFPFGNFLOHKIAJ-UHFFFAOYSA-N 2 1 345.487 3.266 20 0 EGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000846878169 1321819363 /nfs/dbraw/zinc/81/93/63/1321819363.db2.gz BZHBVGIBYUJJGO-UHFFFAOYSA-N 2 1 348.878 3.192 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000846903903 1321821735 /nfs/dbraw/zinc/82/17/35/1321821735.db2.gz ADYFVCQAMHHQBG-LEWJYISDSA-N 2 1 335.451 3.417 20 0 EGADMP C[C@H]1C[C@H](CCNC(=[NH2+])NCC2CCC2)C[N@H+]1Cc1ccccc1 ZINC000848989917 1322056447 /nfs/dbraw/zinc/05/64/47/1322056447.db2.gz LHAFCWKIRXTBSN-LPHOPBHVSA-N 2 1 328.504 3.201 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1csc2ccccc12 ZINC000849071894 1322066060 /nfs/dbraw/zinc/06/60/60/1322066060.db2.gz OJVUWAXPFBOSNW-HNNXBMFYSA-N 2 1 330.501 3.042 20 0 EGADMP COc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)c1 ZINC000921816315 1322403867 /nfs/dbraw/zinc/40/38/67/1322403867.db2.gz FXZJTOMHOSBPIK-UHFFFAOYSA-N 2 1 340.471 3.169 20 0 EGADMP Cc1cccc2[nH]c(C[NH2+][C@@H]3C[C@@]4(C[N@H+](C)[C@@H]4C(C)C)C[C@H]3O)cc21 ZINC000922390788 1322517260 /nfs/dbraw/zinc/51/72/60/1322517260.db2.gz OVWWJHKLUCFLHZ-NCYKPQTJSA-N 2 1 341.499 3.046 20 0 EGADMP C[C@@H]([NH3+])CN(C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000859619407 1329036891 /nfs/dbraw/zinc/03/68/91/1329036891.db2.gz GZVLHKQCUPYIQY-OAHLLOKOSA-N 2 1 332.492 3.262 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321217 1322733497 /nfs/dbraw/zinc/73/34/97/1322733497.db2.gz AIWLNWVUINCYON-PQQKJQCNSA-N 3 1 333.564 3.494 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321217 1322733502 /nfs/dbraw/zinc/73/35/02/1322733502.db2.gz AIWLNWVUINCYON-PQQKJQCNSA-N 3 1 333.564 3.494 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321217 1322733505 /nfs/dbraw/zinc/73/35/05/1322733505.db2.gz AIWLNWVUINCYON-PQQKJQCNSA-N 3 1 333.564 3.494 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321217 1322733508 /nfs/dbraw/zinc/73/35/08/1322733508.db2.gz AIWLNWVUINCYON-PQQKJQCNSA-N 2 1 333.564 3.494 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321217 1322733512 /nfs/dbraw/zinc/73/35/12/1322733512.db2.gz AIWLNWVUINCYON-PQQKJQCNSA-N 2 1 333.564 3.494 20 0 EGADMP O[C@H](C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1Cl ZINC000923361970 1322740681 /nfs/dbraw/zinc/74/06/81/1322740681.db2.gz JEVJGAMSOVHEER-GDZNZVCISA-N 2 1 343.298 3.348 20 0 EGADMP [NH3+]CC[C@@H]1CC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000923487650 1322761036 /nfs/dbraw/zinc/76/10/36/1322761036.db2.gz NEBFTLLYIQEHQJ-CYBMUJFWSA-N 2 1 335.448 3.032 20 0 EGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000923487650 1322761041 /nfs/dbraw/zinc/76/10/41/1322761041.db2.gz NEBFTLLYIQEHQJ-CYBMUJFWSA-N 2 1 335.448 3.032 20 0 EGADMP CO[C@H](C)c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)cs1 ZINC000923509084 1322766435 /nfs/dbraw/zinc/76/64/35/1322766435.db2.gz YYKZLVAFEXZROT-CABCVRRESA-N 2 1 337.533 3.452 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001024010781 1323078623 /nfs/dbraw/zinc/07/86/23/1323078623.db2.gz XEPQJOZZJPGMHA-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024010160 1323078837 /nfs/dbraw/zinc/07/88/37/1323078837.db2.gz HPVKETFSYIABES-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ncccc1Cl ZINC000924656975 1323097899 /nfs/dbraw/zinc/09/78/99/1323097899.db2.gz DXXDLJKIKYZUSK-KRWDZBQOSA-N 2 1 338.927 3.193 20 0 EGADMP CON1CCC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000924681680 1323111164 /nfs/dbraw/zinc/11/11/64/1323111164.db2.gz ZWLGFZXMEUOIBZ-KRWDZBQOSA-N 2 1 331.504 3.034 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC3CCCCC3)C2)CC[N@H+]1C ZINC001024120761 1323150400 /nfs/dbraw/zinc/15/04/00/1323150400.db2.gz PKNYAROVZWPYGD-IHPCNDPISA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC3CCCCC3)C2)CC[N@H+]1C ZINC001024120762 1323151001 /nfs/dbraw/zinc/15/10/01/1323151001.db2.gz PKNYAROVZWPYGD-SXLOBPIMSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000924854092 1323188100 /nfs/dbraw/zinc/18/81/00/1323188100.db2.gz RRZVZKYGODEKQN-FUHWJXTLSA-N 2 1 325.456 3.350 20 0 EGADMP CCOc1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)c1 ZINC000924858048 1323189355 /nfs/dbraw/zinc/18/93/55/1323189355.db2.gz XTQCGZRFFVRUAD-UXDRXVOSSA-N 2 1 332.488 3.378 20 0 EGADMP OCCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000924940018 1323223268 /nfs/dbraw/zinc/22/32/68/1323223268.db2.gz IDRKEHWDLXTMOA-FKBYEOEOSA-N 2 1 344.543 3.472 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1csc2ccccc21 ZINC000924966347 1323232959 /nfs/dbraw/zinc/23/29/59/1323232959.db2.gz SMALOBFXDJSKDV-HUUCEWRRSA-N 2 1 345.512 3.139 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cc(=O)oc2c1 ZINC000852754142 1323236590 /nfs/dbraw/zinc/23/65/90/1323236590.db2.gz QLDIPVBHEDGMNU-QGZVFWFLSA-N 2 1 340.467 3.313 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(-c2ccccc2)no1 ZINC000925023415 1323247667 /nfs/dbraw/zinc/24/76/67/1323247667.db2.gz NAHQFPKXPCXYPK-AEFFLSMTSA-N 2 1 343.471 3.229 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCCC1 ZINC001024366603 1323341113 /nfs/dbraw/zinc/34/11/13/1323341113.db2.gz TXXLGKYGCMINAB-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCCC1 ZINC001024366603 1323341121 /nfs/dbraw/zinc/34/11/21/1323341121.db2.gz TXXLGKYGCMINAB-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCCC1 ZINC001024366603 1323341126 /nfs/dbraw/zinc/34/11/26/1323341126.db2.gz TXXLGKYGCMINAB-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024436644 1323396063 /nfs/dbraw/zinc/39/60/63/1323396063.db2.gz GIILTAKNXAGHQU-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC001024436644 1323396070 /nfs/dbraw/zinc/39/60/70/1323396070.db2.gz GIILTAKNXAGHQU-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCC1CCC1 ZINC001024436644 1323396075 /nfs/dbraw/zinc/39/60/75/1323396075.db2.gz GIILTAKNXAGHQU-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2CC(C)(C)C2)CC[N@H+]1C ZINC001024448041 1323407665 /nfs/dbraw/zinc/40/76/65/1323407665.db2.gz ASHSRZNRYUJHNY-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CC(C)(C)C2)CC[NH+]1C ZINC001024448041 1323407672 /nfs/dbraw/zinc/40/76/72/1323407672.db2.gz ASHSRZNRYUJHNY-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC2CC(C)(C)C2)CC[NH+]1C ZINC001024448041 1323407677 /nfs/dbraw/zinc/40/76/77/1323407677.db2.gz ASHSRZNRYUJHNY-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1=CCCCC1 ZINC001024514330 1323465093 /nfs/dbraw/zinc/46/50/93/1323465093.db2.gz XTRHWNKFFYLXHZ-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1=CCCCC1 ZINC001024514330 1323465100 /nfs/dbraw/zinc/46/51/00/1323465100.db2.gz XTRHWNKFFYLXHZ-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1=CCCCC1 ZINC001024514330 1323465105 /nfs/dbraw/zinc/46/51/05/1323465105.db2.gz XTRHWNKFFYLXHZ-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP Cc1c(C(=O)NC[C@H]2CCCC[N@@H+]2CCC(C)C)ccc2c[nH+]cn21 ZINC001024520196 1323469978 /nfs/dbraw/zinc/46/99/78/1323469978.db2.gz FUVBXVYKPMPFSZ-QGZVFWFLSA-N 2 1 342.487 3.273 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC=C(C)C)C1 ZINC001024614923 1323541857 /nfs/dbraw/zinc/54/18/57/1323541857.db2.gz LOZYTCFGCJFSDF-MOPGFXCFSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC=C(C)C)C1 ZINC001024614923 1323541864 /nfs/dbraw/zinc/54/18/64/1323541864.db2.gz LOZYTCFGCJFSDF-MOPGFXCFSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC=C(C)C)C1 ZINC001024614923 1323541867 /nfs/dbraw/zinc/54/18/67/1323541867.db2.gz LOZYTCFGCJFSDF-MOPGFXCFSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CC2CCCC2)CC1 ZINC001024738194 1323636856 /nfs/dbraw/zinc/63/68/56/1323636856.db2.gz QVLZHWLUUQMERY-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCCC[N@H+]2CC2CCC2)c1 ZINC001024810580 1323714494 /nfs/dbraw/zinc/71/44/94/1323714494.db2.gz GXFOOSHJOHKSHZ-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814984 1323717111 /nfs/dbraw/zinc/71/71/11/1323717111.db2.gz ZFJALNSILRWSDH-MJGOQNOKSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001024962686 1323801768 /nfs/dbraw/zinc/80/17/68/1323801768.db2.gz UDRUQKBOMKIWRL-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001024962684 1323801958 /nfs/dbraw/zinc/80/19/58/1323801958.db2.gz UDRUQKBOMKIWRL-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1)C1CCC1 ZINC001024983364 1323812928 /nfs/dbraw/zinc/81/29/28/1323812928.db2.gz QEMADVXOWDRPPU-LJQANCHMSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001024984919 1323813375 /nfs/dbraw/zinc/81/33/75/1323813375.db2.gz KLZYYQYBMPMLLE-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430441 1329115573 /nfs/dbraw/zinc/11/55/73/1329115573.db2.gz CHLOHEDDULNCFK-VHDGCEQUSA-N 2 1 346.862 3.335 20 0 EGADMP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430441 1329115576 /nfs/dbraw/zinc/11/55/76/1329115576.db2.gz CHLOHEDDULNCFK-VHDGCEQUSA-N 2 1 346.862 3.335 20 0 EGADMP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931430441 1329115581 /nfs/dbraw/zinc/11/55/81/1329115581.db2.gz CHLOHEDDULNCFK-VHDGCEQUSA-N 2 1 346.862 3.335 20 0 EGADMP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931430441 1329115582 /nfs/dbraw/zinc/11/55/82/1329115582.db2.gz CHLOHEDDULNCFK-VHDGCEQUSA-N 2 1 346.862 3.335 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3ccccc3-c3ccccc3)C[C@@H]2C1 ZINC000931433860 1329117116 /nfs/dbraw/zinc/11/71/16/1329117116.db2.gz ITUHLPUPLQQATN-MOPGFXCFSA-N 2 1 349.478 3.176 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3ccccc3-c3ccccc3)C[C@@H]2C1 ZINC000931433860 1329117117 /nfs/dbraw/zinc/11/71/17/1329117117.db2.gz ITUHLPUPLQQATN-MOPGFXCFSA-N 2 1 349.478 3.176 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3ccccc3-c3ccccc3)C[C@@H]2C1 ZINC000931433860 1329117122 /nfs/dbraw/zinc/11/71/22/1329117122.db2.gz ITUHLPUPLQQATN-MOPGFXCFSA-N 2 1 349.478 3.176 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccccc3-c3ccccc3)C[C@@H]2C1 ZINC000931433860 1329117124 /nfs/dbraw/zinc/11/71/24/1329117124.db2.gz ITUHLPUPLQQATN-MOPGFXCFSA-N 2 1 349.478 3.176 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3-c3ccccc3)C[C@@H]2C1 ZINC000931433860 1329117125 /nfs/dbraw/zinc/11/71/25/1329117125.db2.gz ITUHLPUPLQQATN-MOPGFXCFSA-N 2 1 349.478 3.176 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001025104821 1323897285 /nfs/dbraw/zinc/89/72/85/1323897285.db2.gz HMFAFXKGLIKEHB-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001025109165 1323899250 /nfs/dbraw/zinc/89/92/50/1323899250.db2.gz QABDBWQAJSMSGM-VQIMIIECSA-N 2 1 344.503 3.059 20 0 EGADMP Cc1ccc(-c2csc(C[NH+]3CCC(O)(C[NH+](C)C)CC3)n2)cc1 ZINC000931480927 1329127793 /nfs/dbraw/zinc/12/77/93/1329127793.db2.gz ACUGGBODBXWDDX-UHFFFAOYSA-N 2 1 345.512 3.007 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCCC[C@H]2[C@@H]2CCC[N@H+]2CCC2CC2)CCC1 ZINC001025241099 1324035999 /nfs/dbraw/zinc/03/59/99/1324035999.db2.gz UPDZQGNMADLZGA-OALUTQOASA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931483838 1329128592 /nfs/dbraw/zinc/12/85/92/1329128592.db2.gz HYWWIYUMOLGAKJ-LBPRGKRZSA-N 2 1 331.287 3.443 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293524 1324120528 /nfs/dbraw/zinc/12/05/28/1324120528.db2.gz CZKOMFBPGQICGB-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300060 1324132562 /nfs/dbraw/zinc/13/25/62/1324132562.db2.gz AYXSGQKDNRPYQK-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccccc1C[NH+](C)C ZINC001025300840 1324134369 /nfs/dbraw/zinc/13/43/69/1324134369.db2.gz GIJDESBGGQURPI-PMACEKPBSA-N 2 1 343.515 3.227 20 0 EGADMP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001025525403 1324371924 /nfs/dbraw/zinc/37/19/24/1324371924.db2.gz NWARCPUFKMBELE-FXAWDEMLSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025529077 1324376687 /nfs/dbraw/zinc/37/66/87/1324376687.db2.gz YLGXKKUJVQPQMF-PXNSSMCTSA-N 2 1 345.531 3.029 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025629067 1324480329 /nfs/dbraw/zinc/48/03/29/1324480329.db2.gz ZPSMSEBBOIMJBP-YLJYHZDGSA-N 2 1 345.531 3.379 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NC1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001026528563 1324869476 /nfs/dbraw/zinc/86/94/76/1324869476.db2.gz PNSJMILVMHSZMX-UHFFFAOYSA-N 2 1 344.503 3.099 20 0 EGADMP CC1(C)CC(C[NH2+]C2CCC(NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001026560423 1324896327 /nfs/dbraw/zinc/89/63/27/1324896327.db2.gz OAVCPLGYMHLGLX-UHFFFAOYSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001026887842 1325062706 /nfs/dbraw/zinc/06/27/06/1325062706.db2.gz WIOSFQOUATVZKT-PKOBYXMFSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963371255 1325175063 /nfs/dbraw/zinc/17/50/63/1325175063.db2.gz CYEOUUWJLFFQKM-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000963371255 1325175067 /nfs/dbraw/zinc/17/50/67/1325175067.db2.gz CYEOUUWJLFFQKM-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001027062928 1325199864 /nfs/dbraw/zinc/19/98/64/1325199864.db2.gz FGWQUWAEHNGLQB-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000925676785 1325259724 /nfs/dbraw/zinc/25/97/24/1325259724.db2.gz PAGCYOHBBXQHHA-SPQGHWSVSA-N 3 1 341.543 3.394 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)C12CCC2 ZINC000925710512 1325267731 /nfs/dbraw/zinc/26/77/31/1325267731.db2.gz LPLGRAMXIPTODC-IAGOWNOFSA-N 2 1 327.403 3.373 20 0 EGADMP c1ccc([C@H]2C[C@@H]([NH2+]CCc3nc4c(s3)CCC4)CC[NH2+]2)cc1 ZINC000925832525 1325321722 /nfs/dbraw/zinc/32/17/22/1325321722.db2.gz RWRZCTZMYIOLOU-DOTOQJQBSA-N 2 1 327.497 3.257 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CC2)CC1 ZINC000964153713 1325483055 /nfs/dbraw/zinc/48/30/55/1325483055.db2.gz PUOFDKJKKAAMQJ-MHJFOBGBSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CCC2CC2)CC1 ZINC000964437060 1325524824 /nfs/dbraw/zinc/52/48/24/1325524824.db2.gz KEZKXEYWLYCBBZ-CTWPCTMYSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCCC1 ZINC000856885306 1325538877 /nfs/dbraw/zinc/53/88/77/1325538877.db2.gz VPVPHWDIHCKRHC-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(Br)n1 ZINC000926560940 1327617794 /nfs/dbraw/zinc/61/77/94/1327617794.db2.gz ULMKNIYAMWWQPE-GFCCVEGCSA-N 2 1 326.282 3.369 20 0 EGADMP O[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000926553853 1327613466 /nfs/dbraw/zinc/61/34/66/1327613466.db2.gz VIRVUOAPKYMBIU-OTYNDTSQSA-N 2 1 328.500 3.323 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC001027430581 1327669896 /nfs/dbraw/zinc/66/98/96/1327669896.db2.gz SWUDGIIDOAJSBC-KRWDZBQOSA-N 2 1 349.544 3.146 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC001027444543 1327685859 /nfs/dbraw/zinc/68/58/59/1327685859.db2.gz SSUYJRGDZGOENP-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](CC1=CCCCC1)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027449628 1327689306 /nfs/dbraw/zinc/68/93/06/1327689306.db2.gz DZBSSWUGRGCYKG-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001027449628 1327689318 /nfs/dbraw/zinc/68/93/18/1327689318.db2.gz DZBSSWUGRGCYKG-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001027449628 1327689325 /nfs/dbraw/zinc/68/93/25/1327689325.db2.gz DZBSSWUGRGCYKG-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027481839 1327737425 /nfs/dbraw/zinc/73/74/25/1327737425.db2.gz WYQYTJXDGYMELY-LJQANCHMSA-N 2 1 348.450 3.071 20 0 EGADMP C[N@@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027520392 1327791733 /nfs/dbraw/zinc/79/17/33/1327791733.db2.gz MEHLXGHPIICCKX-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542069 1327844648 /nfs/dbraw/zinc/84/46/48/1327844648.db2.gz HPPLREADBGSORO-MOPGFXCFSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027542069 1327844658 /nfs/dbraw/zinc/84/46/58/1327844658.db2.gz HPPLREADBGSORO-MOPGFXCFSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027542069 1327844665 /nfs/dbraw/zinc/84/46/65/1327844665.db2.gz HPPLREADBGSORO-MOPGFXCFSA-N 2 1 335.536 3.115 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555377 1327862552 /nfs/dbraw/zinc/86/25/52/1327862552.db2.gz KGLSYOKBTFNTDO-XLIONFOSSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH+](C)CCC2=CCCCC2)C1 ZINC001027575938 1327910413 /nfs/dbraw/zinc/91/04/13/1327910413.db2.gz GSLZBSLTQHIGGH-ICSRJNTNSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC001027575938 1327910422 /nfs/dbraw/zinc/91/04/22/1327910422.db2.gz GSLZBSLTQHIGGH-ICSRJNTNSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC001027575938 1327910429 /nfs/dbraw/zinc/91/04/29/1327910429.db2.gz GSLZBSLTQHIGGH-ICSRJNTNSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001027602197 1327954113 /nfs/dbraw/zinc/95/41/13/1327954113.db2.gz NFPMAEHSZJJBMT-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647042 1328023412 /nfs/dbraw/zinc/02/34/12/1328023412.db2.gz KWWMEMLELGYPQL-FPOVZHCZSA-N 2 1 345.531 3.042 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027693499 1328099184 /nfs/dbraw/zinc/09/91/84/1328099184.db2.gz CMPLFWCLUSQNRC-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001027693499 1328099192 /nfs/dbraw/zinc/09/91/92/1328099192.db2.gz CMPLFWCLUSQNRC-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001027693499 1328099201 /nfs/dbraw/zinc/09/92/01/1328099201.db2.gz CMPLFWCLUSQNRC-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694404 1328100656 /nfs/dbraw/zinc/10/06/56/1328100656.db2.gz XXDQKILSBNOKST-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1)[NH+]1CCCCC1 ZINC001027694550 1328100730 /nfs/dbraw/zinc/10/07/30/1328100730.db2.gz CHHGNGHYCGTNDR-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000928005689 1328167701 /nfs/dbraw/zinc/16/77/01/1328167701.db2.gz NLYXWGZTNOPZMB-ZRZPHAQCSA-N 2 1 346.519 3.310 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966071926 1328168867 /nfs/dbraw/zinc/16/88/67/1328168867.db2.gz BRYCZUSSTNRVHW-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1C ZINC000862353030 1329477032 /nfs/dbraw/zinc/47/70/32/1329477032.db2.gz REAWFFRXDGHUCC-UHFFFAOYSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](CN2C[C@H](c3ccccc3)OC2=O)CC1 ZINC000863261135 1329540714 /nfs/dbraw/zinc/54/07/14/1329540714.db2.gz YLCKMSCFUVWALW-LJQANCHMSA-N 2 1 345.487 3.190 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C[C@H](c3ccccc3)OC2=O)CC1 ZINC000863261135 1329540715 /nfs/dbraw/zinc/54/07/15/1329540715.db2.gz YLCKMSCFUVWALW-LJQANCHMSA-N 2 1 345.487 3.190 20 0 EGADMP COc1cccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1F ZINC000863540852 1329561776 /nfs/dbraw/zinc/56/17/76/1329561776.db2.gz DXHGKGUKFLTQOE-JXFKEZNVSA-N 2 1 342.414 3.180 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccnc2Br)C1 ZINC000865416039 1329693946 /nfs/dbraw/zinc/69/39/46/1329693946.db2.gz SGCYXPPBYXMNQH-CQSZACIVSA-N 2 1 340.309 3.446 20 0 EGADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2cc(F)ccc2F)n1 ZINC000865416757 1329694525 /nfs/dbraw/zinc/69/45/25/1329694525.db2.gz KZMOZIYSIYDBCT-HZPDHXFCSA-N 2 1 346.425 3.082 20 0 EGADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2cc(F)ccc2F)n1 ZINC000865416757 1329694527 /nfs/dbraw/zinc/69/45/27/1329694527.db2.gz KZMOZIYSIYDBCT-HZPDHXFCSA-N 2 1 346.425 3.082 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)CC[NH2+]C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000933258941 1329875651 /nfs/dbraw/zinc/87/56/51/1329875651.db2.gz UTJSQCFHTPFLMB-IEBWSBKVSA-N 2 1 345.531 3.276 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000934844152 1330012176 /nfs/dbraw/zinc/01/21/76/1330012176.db2.gz VPPCVZGGFBGQNF-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP Fc1cccc2c1CCC[C@@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000866260422 1330086941 /nfs/dbraw/zinc/08/69/41/1330086941.db2.gz GUMIKHXKQGZBTD-IBGZPJMESA-N 2 1 332.463 3.438 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000866413411 1330108704 /nfs/dbraw/zinc/10/87/04/1330108704.db2.gz QXAFUTAGILCCTP-RLLQIKCJSA-N 2 1 328.500 3.303 20 0 EGADMP C[C@H]([NH2+]CC[C@H](O)C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866638313 1330136692 /nfs/dbraw/zinc/13/66/92/1330136692.db2.gz PBHMWYKHWRSVSG-WMQCIHAUSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941093463 1331329959 /nfs/dbraw/zinc/32/99/59/1331329959.db2.gz PZDVRZWYGQYMOW-LJQANCHMSA-N 2 1 345.531 3.235 20 0 EGADMP C[C@H]1C[N@@H+](CCCC2CCC2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557864 1331972598 /nfs/dbraw/zinc/97/25/98/1331972598.db2.gz OABNJLKAHQQQKZ-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[N@@H+](CCC2CCCC2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943287073 1332138027 /nfs/dbraw/zinc/13/80/27/1332138027.db2.gz HSGKVDNGVMJOAH-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C[C@H]2C)CC1 ZINC000943875011 1332286707 /nfs/dbraw/zinc/28/67/07/1332286707.db2.gz AJIYNJOPNKYNMA-XLIONFOSSA-N 2 1 349.563 3.124 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(C)C)C[C@@H]2C)o1 ZINC000945337251 1332560461 /nfs/dbraw/zinc/56/04/61/1332560461.db2.gz VJWWEOBLOZNTOX-WMZOPIPTSA-N 2 1 349.519 3.218 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946901923 1332928386 /nfs/dbraw/zinc/92/83/86/1332928386.db2.gz HXKRGPQIBCLMCZ-SLFFLAALSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@H+]1CC1CCC1 ZINC000947361600 1333103381 /nfs/dbraw/zinc/10/33/81/1333103381.db2.gz PXCCMBOQOUKMNB-PBHICJAKSA-N 2 1 349.544 3.193 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947474087 1333142312 /nfs/dbraw/zinc/14/23/12/1333142312.db2.gz QGWREVRRANMNSY-RDJZCZTQSA-N 2 1 340.471 3.192 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947493396 1333145727 /nfs/dbraw/zinc/14/57/27/1333145727.db2.gz RRLXWGCAAOLEEP-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cncn1CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)[C@@H](C)C1 ZINC000947548388 1333167797 /nfs/dbraw/zinc/16/77/97/1333167797.db2.gz ZBVDUUGRPHQDQP-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)[C@@H](C)C1 ZINC000947548388 1333167801 /nfs/dbraw/zinc/16/78/01/1333167801.db2.gz ZBVDUUGRPHQDQP-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)[C@@H](C)C1 ZINC000947548388 1333167804 /nfs/dbraw/zinc/16/78/04/1333167804.db2.gz ZBVDUUGRPHQDQP-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CCCC1CCC1 ZINC000947617392 1333193972 /nfs/dbraw/zinc/19/39/72/1333193972.db2.gz YBCMDNJKBBTAFB-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@H+]1CCC(C)(C)C ZINC000947662722 1333213455 /nfs/dbraw/zinc/21/34/55/1333213455.db2.gz LOYSKBSGFZICAM-RDJZCZTQSA-N 2 1 349.519 3.360 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CCCC1CCC1 ZINC000947725865 1333241282 /nfs/dbraw/zinc/24/12/82/1333241282.db2.gz DYULJPBRZQYHKX-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CCCC1CCC1 ZINC000947725865 1333241284 /nfs/dbraw/zinc/24/12/84/1333241284.db2.gz DYULJPBRZQYHKX-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CCCC1CCC1 ZINC000947725865 1333241285 /nfs/dbraw/zinc/24/12/85/1333241285.db2.gz DYULJPBRZQYHKX-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)[C@H](C)C1 ZINC000947771307 1333256659 /nfs/dbraw/zinc/25/66/59/1333256659.db2.gz JMTKDHYXIGRZIM-SJORKVTESA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@H](C)C1 ZINC000947771307 1333256663 /nfs/dbraw/zinc/25/66/63/1333256663.db2.gz JMTKDHYXIGRZIM-SJORKVTESA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947881874 1333289790 /nfs/dbraw/zinc/28/97/90/1333289790.db2.gz KNCWPAWZUHMWEY-IEBWSBKVSA-N 2 1 335.536 3.042 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCC1CCCCC1 ZINC000948038764 1333349458 /nfs/dbraw/zinc/34/94/58/1333349458.db2.gz BGFFDHHTLSWGKX-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948056593 1333357605 /nfs/dbraw/zinc/35/76/05/1333357605.db2.gz LTDUVXOOLALZBG-XLIONFOSSA-N 2 1 343.515 3.297 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948064292 1333360424 /nfs/dbraw/zinc/36/04/24/1333360424.db2.gz AKCANKFOHJXPLZ-MJGOQNOKSA-N 2 1 345.531 3.377 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948374966 1333501204 /nfs/dbraw/zinc/50/12/04/1333501204.db2.gz ZQLLWXNAJNZQEZ-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CCC(C)(C)C)CC2)CC[N@H+]1C ZINC000948385115 1333504365 /nfs/dbraw/zinc/50/43/65/1333504365.db2.gz JFTHFRBEFGUDHW-KZNAEPCWSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](CCC(C)(C)C)CC2)CC[NH+]1C ZINC000948385115 1333504367 /nfs/dbraw/zinc/50/43/67/1333504367.db2.gz JFTHFRBEFGUDHW-KZNAEPCWSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CCC(C)(C)C)CC2)CC[NH+]1C ZINC000948385115 1333504368 /nfs/dbraw/zinc/50/43/68/1333504368.db2.gz JFTHFRBEFGUDHW-KZNAEPCWSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CCC3CCCC3)CC2)CC[N@H+]1C ZINC000948388203 1333504873 /nfs/dbraw/zinc/50/48/73/1333504873.db2.gz CGFLWQJOXDEEHH-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](CCC3CCCC3)CC2)CC[NH+]1C ZINC000948388203 1333504878 /nfs/dbraw/zinc/50/48/78/1333504878.db2.gz CGFLWQJOXDEEHH-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CCC3CCCC3)CC2)CC[NH+]1C ZINC000948388203 1333504883 /nfs/dbraw/zinc/50/48/83/1333504883.db2.gz CGFLWQJOXDEEHH-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000948416845 1333517476 /nfs/dbraw/zinc/51/74/76/1333517476.db2.gz QSIUXYBXCZKKFW-MRXNPFEDSA-N 2 1 337.533 3.146 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CCC[NH+](CCC(C)(C)C)CC2)C1 ZINC000948765667 1333668219 /nfs/dbraw/zinc/66/82/19/1333668219.db2.gz AZDYNQSAYBOAMI-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@H+](CCC(C)(C)C)CC2)C1 ZINC000948765667 1333668222 /nfs/dbraw/zinc/66/82/22/1333668222.db2.gz AZDYNQSAYBOAMI-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@@H+](CCC(C)(C)C)CC2)C1 ZINC000948765667 1333668224 /nfs/dbraw/zinc/66/82/24/1333668224.db2.gz AZDYNQSAYBOAMI-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000948772628 1333672633 /nfs/dbraw/zinc/67/26/33/1333672633.db2.gz ZNRCWZAHAIRGCO-FQEVSTJZSA-N 2 1 345.531 3.127 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820140 1333697471 /nfs/dbraw/zinc/69/74/71/1333697471.db2.gz ALASWZVKLVQICR-GOSISDBHSA-N 2 1 346.519 3.286 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820140 1333697472 /nfs/dbraw/zinc/69/74/72/1333697472.db2.gz ALASWZVKLVQICR-GOSISDBHSA-N 2 1 346.519 3.286 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948832780 1333702499 /nfs/dbraw/zinc/70/24/99/1333702499.db2.gz ANZYHDXDRBTCQE-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CCC2=CCCCC2)C1 ZINC000950470457 1334076661 /nfs/dbraw/zinc/07/66/61/1334076661.db2.gz YQPVRSLPJDCSPL-FQEVSTJZSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CCC2=CCCCC2)C1 ZINC000950470457 1334076665 /nfs/dbraw/zinc/07/66/65/1334076665.db2.gz YQPVRSLPJDCSPL-FQEVSTJZSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CC2CCC(C)CC2)CC1 ZINC000951195430 1334203825 /nfs/dbraw/zinc/20/38/25/1334203825.db2.gz GTWZOBPTQWLRQV-SOAGJPPSSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000968851771 1336067691 /nfs/dbraw/zinc/06/76/91/1336067691.db2.gz ZCRBVMGDEVHRTG-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCCC1CCC1 ZINC000968920238 1336088537 /nfs/dbraw/zinc/08/85/37/1336088537.db2.gz RWPXELZFEXCKCJ-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCCC1CCC1 ZINC000968920238 1336088541 /nfs/dbraw/zinc/08/85/41/1336088541.db2.gz RWPXELZFEXCKCJ-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCCC1CCC1 ZINC000968920238 1336088543 /nfs/dbraw/zinc/08/85/43/1336088543.db2.gz RWPXELZFEXCKCJ-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1Cc1ccsc1 ZINC000968920833 1336090083 /nfs/dbraw/zinc/09/00/83/1336090083.db2.gz ZJFBOYKRNWTYEL-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1Cc1ccsc1 ZINC000968920833 1336090085 /nfs/dbraw/zinc/09/00/85/1336090085.db2.gz ZJFBOYKRNWTYEL-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccsc1 ZINC000968920833 1336090088 /nfs/dbraw/zinc/09/00/88/1336090088.db2.gz ZJFBOYKRNWTYEL-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1ccsc1 ZINC000968920833 1336090090 /nfs/dbraw/zinc/09/00/90/1336090090.db2.gz ZJFBOYKRNWTYEL-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP CC1CC(C[N@H+]2CCCCC[C@H]2CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000968934086 1336095239 /nfs/dbraw/zinc/09/52/39/1336095239.db2.gz MUCQXDLGFYXFKO-ACBHZAAOSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936900 1336096651 /nfs/dbraw/zinc/09/66/51/1336096651.db2.gz UNEUAAIMPJVLLV-SJORKVTESA-N 2 1 346.450 3.057 20 0 EGADMP CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC000968965422 1336104051 /nfs/dbraw/zinc/10/40/51/1336104051.db2.gz ONKAGWBJMNMKCA-IBGZPJMESA-N 2 1 345.531 3.175 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000968967451 1336104545 /nfs/dbraw/zinc/10/45/45/1336104545.db2.gz PQFDSELMXVSWOX-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000969002522 1336115577 /nfs/dbraw/zinc/11/55/77/1336115577.db2.gz VNXUSKAKKUBTRH-RBUKOAKNSA-N 2 1 335.536 3.164 20 0 EGADMP CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000969002522 1336115578 /nfs/dbraw/zinc/11/55/78/1336115578.db2.gz VNXUSKAKKUBTRH-RBUKOAKNSA-N 2 1 335.536 3.164 20 0 EGADMP CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000969002522 1336115579 /nfs/dbraw/zinc/11/55/79/1336115579.db2.gz VNXUSKAKKUBTRH-RBUKOAKNSA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118333 1336150212 /nfs/dbraw/zinc/15/02/12/1336150212.db2.gz LVSWEBBGYCJJLU-QGZVFWFLSA-N 2 1 346.519 3.168 20 0 EGADMP CC(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118333 1336150213 /nfs/dbraw/zinc/15/02/13/1336150213.db2.gz LVSWEBBGYCJJLU-QGZVFWFLSA-N 2 1 346.519 3.168 20 0 EGADMP CC(C)=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118387 1336150420 /nfs/dbraw/zinc/15/04/20/1336150420.db2.gz NUSAOLSPAWBWAM-QGZVFWFLSA-N 2 1 344.503 3.088 20 0 EGADMP CC(C)=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118387 1336150422 /nfs/dbraw/zinc/15/04/22/1336150422.db2.gz NUSAOLSPAWBWAM-QGZVFWFLSA-N 2 1 344.503 3.088 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000969152189 1336163870 /nfs/dbraw/zinc/16/38/70/1336163870.db2.gz GEUBRHJOILWYIV-MRXNPFEDSA-N 2 1 349.544 3.092 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCC1 ZINC000969156573 1336165689 /nfs/dbraw/zinc/16/56/89/1336165689.db2.gz WWXYQSIPZRFPOP-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCC1 ZINC000969156573 1336165693 /nfs/dbraw/zinc/16/56/93/1336165693.db2.gz WWXYQSIPZRFPOP-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCC1 ZINC000969156573 1336165698 /nfs/dbraw/zinc/16/56/98/1336165698.db2.gz WWXYQSIPZRFPOP-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969156596 1336166152 /nfs/dbraw/zinc/16/61/52/1336166152.db2.gz XJSUANIWEOSVPQ-GOSISDBHSA-N 2 1 331.504 3.133 20 0 EGADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1C[NH+](CC2CCCC2)C1 ZINC000969829279 1336251738 /nfs/dbraw/zinc/25/17/38/1336251738.db2.gz BJKYJHMFOGEOCP-UZLBHIALSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326288 1336294855 /nfs/dbraw/zinc/29/48/55/1336294855.db2.gz PNGIUSJYSSJMDP-XLIONFOSSA-N 2 1 347.547 3.186 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001005475872 1336357951 /nfs/dbraw/zinc/35/79/51/1336357951.db2.gz KZZIXDGIWNBULX-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001005475861 1336358088 /nfs/dbraw/zinc/35/80/88/1336358088.db2.gz KZZIXDGIWNBULX-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001005590270 1336376550 /nfs/dbraw/zinc/37/65/50/1336376550.db2.gz XADWDIWXXUPBRW-YLJYHZDGSA-N 2 1 343.515 3.155 20 0 EGADMP COc1cc(Br)ccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205626913 1370816108 /nfs/dbraw/zinc/81/61/08/1370816108.db2.gz KPQRIIUSFGONHD-CHWSQXEVSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001006001435 1336435875 /nfs/dbraw/zinc/43/58/75/1336435875.db2.gz NUCYYWYLTZWEFM-PXNSSMCTSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001006001437 1336436042 /nfs/dbraw/zinc/43/60/42/1336436042.db2.gz NUCYYWYLTZWEFM-XLIONFOSSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007457768 1336651547 /nfs/dbraw/zinc/65/15/47/1336651547.db2.gz RQRYIBBQNZPUHR-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001007457768 1336651551 /nfs/dbraw/zinc/65/15/51/1336651551.db2.gz RQRYIBBQNZPUHR-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001007500849 1336658513 /nfs/dbraw/zinc/65/85/13/1336658513.db2.gz WCURWXOTILAMNU-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001007500849 1336658515 /nfs/dbraw/zinc/65/85/15/1336658515.db2.gz WCURWXOTILAMNU-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001007500849 1336658518 /nfs/dbraw/zinc/65/85/18/1336658518.db2.gz WCURWXOTILAMNU-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001007748988 1336694231 /nfs/dbraw/zinc/69/42/31/1336694231.db2.gz TVYOQUCECLGWQL-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001007748988 1336694232 /nfs/dbraw/zinc/69/42/32/1336694232.db2.gz TVYOQUCECLGWQL-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001007748988 1336694233 /nfs/dbraw/zinc/69/42/33/1336694233.db2.gz TVYOQUCECLGWQL-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001007799219 1336703038 /nfs/dbraw/zinc/70/30/38/1336703038.db2.gz HYSSYGJWGKJFOJ-LJQANCHMSA-N 2 1 348.450 3.037 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001007801522 1336703285 /nfs/dbraw/zinc/70/32/85/1336703285.db2.gz RNEBDRHGTSZURS-GOSISDBHSA-N 2 1 338.455 3.029 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCC2CCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001008042016 1336756863 /nfs/dbraw/zinc/75/68/63/1336756863.db2.gz ALCHNYOARRLULW-PMACEKPBSA-N 2 1 347.547 3.022 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CC3CCCCCC3)C2)C1 ZINC001008551252 1336879825 /nfs/dbraw/zinc/87/98/25/1336879825.db2.gz NQLPUHFGQULURG-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CC3CCCCCC3)C2)C1 ZINC001008551252 1336879826 /nfs/dbraw/zinc/87/98/26/1336879826.db2.gz NQLPUHFGQULURG-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001008551252 1336879828 /nfs/dbraw/zinc/87/98/28/1336879828.db2.gz NQLPUHFGQULURG-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001008744323 1336919104 /nfs/dbraw/zinc/91/91/04/1336919104.db2.gz AVAUVLWFGNZVLF-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001009049012 1336960360 /nfs/dbraw/zinc/96/03/60/1336960360.db2.gz FLOPRHSZJVXYLY-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)C)C1 ZINC001009167889 1336979576 /nfs/dbraw/zinc/97/95/76/1336979576.db2.gz JYRBUOXZDMFEGP-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC001009167889 1336979579 /nfs/dbraw/zinc/97/95/79/1336979579.db2.gz JYRBUOXZDMFEGP-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001009167889 1336979582 /nfs/dbraw/zinc/97/95/82/1336979582.db2.gz JYRBUOXZDMFEGP-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014631962 1337853614 /nfs/dbraw/zinc/85/36/14/1337853614.db2.gz PTLKFYWKLGMCQR-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001014631962 1337853616 /nfs/dbraw/zinc/85/36/16/1337853616.db2.gz PTLKFYWKLGMCQR-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001014631962 1337853617 /nfs/dbraw/zinc/85/36/17/1337853617.db2.gz PTLKFYWKLGMCQR-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001015112020 1338022646 /nfs/dbraw/zinc/02/26/46/1338022646.db2.gz AXNKXHWFXRUVTM-VQIMIIECSA-N 2 1 348.450 3.208 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001015291993 1338087069 /nfs/dbraw/zinc/08/70/69/1338087069.db2.gz XSAVBPDFGXYROT-GOSISDBHSA-N 2 1 338.455 3.029 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC001015782023 1338307583 /nfs/dbraw/zinc/30/75/83/1338307583.db2.gz UWSFTNPZGTYEEO-DAWZGUTISA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC001015782023 1338307585 /nfs/dbraw/zinc/30/75/85/1338307585.db2.gz UWSFTNPZGTYEEO-DAWZGUTISA-N 2 1 346.519 3.023 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001015795419 1338314715 /nfs/dbraw/zinc/31/47/15/1338314715.db2.gz OYLLIOJCAXURRA-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796799 1338315921 /nfs/dbraw/zinc/31/59/21/1338315921.db2.gz RAUNPJFLVZOBJB-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001016336648 1338554626 /nfs/dbraw/zinc/55/46/26/1338554626.db2.gz DAUNADHNIAQUDW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001016336648 1338554629 /nfs/dbraw/zinc/55/46/29/1338554629.db2.gz DAUNADHNIAQUDW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001016336648 1338554633 /nfs/dbraw/zinc/55/46/33/1338554633.db2.gz DAUNADHNIAQUDW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001016338997 1338555194 /nfs/dbraw/zinc/55/51/94/1338555194.db2.gz MTPDIJYGDTXQCZ-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001016338997 1338555200 /nfs/dbraw/zinc/55/52/00/1338555200.db2.gz MTPDIJYGDTXQCZ-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001016338997 1338555205 /nfs/dbraw/zinc/55/52/05/1338555205.db2.gz MTPDIJYGDTXQCZ-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCCCCC1)CC2 ZINC001016544407 1338640016 /nfs/dbraw/zinc/64/00/16/1338640016.db2.gz WMBGCHMSWJDRPF-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCCCCC1)CC2 ZINC001016544405 1338640486 /nfs/dbraw/zinc/64/04/86/1338640486.db2.gz WMBGCHMSWJDRPF-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016986428 1338793736 /nfs/dbraw/zinc/79/37/36/1338793736.db2.gz QWSQOANYJXVGGD-ROUUACIJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](C[NH+](C)CC3CCC3)C2)C1 ZINC001017190644 1338937123 /nfs/dbraw/zinc/93/71/23/1338937123.db2.gz BZBMDYWUNLWPEJ-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[C@@H](C[N@H+](C)CC3CCC3)C2)C1 ZINC001017190644 1338937128 /nfs/dbraw/zinc/93/71/28/1338937128.db2.gz BZBMDYWUNLWPEJ-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[C@@H](C[N@@H+](C)CC3CCC3)C2)C1 ZINC001017190644 1338937131 /nfs/dbraw/zinc/93/71/31/1338937131.db2.gz BZBMDYWUNLWPEJ-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H](C[NH+](C)CC3CCC3)C2)C1 ZINC001017190649 1338937154 /nfs/dbraw/zinc/93/71/54/1338937154.db2.gz BZBMDYWUNLWPEJ-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[C@H](C[N@H+](C)CC3CCC3)C2)C1 ZINC001017190649 1338937156 /nfs/dbraw/zinc/93/71/56/1338937156.db2.gz BZBMDYWUNLWPEJ-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[C@H](C[N@@H+](C)CC3CCC3)C2)C1 ZINC001017190649 1338937161 /nfs/dbraw/zinc/93/71/61/1338937161.db2.gz BZBMDYWUNLWPEJ-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2C)C1)[NH+](C)C ZINC001017214977 1338957690 /nfs/dbraw/zinc/95/76/90/1338957690.db2.gz ZVMYULBXNUJOQD-QUCCMNQESA-N 2 1 345.531 3.006 20 0 EGADMP CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001017689024 1339391653 /nfs/dbraw/zinc/39/16/53/1339391653.db2.gz LWQRUOPTLAZCGU-HDICACEKSA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001017689024 1339391656 /nfs/dbraw/zinc/39/16/56/1339391656.db2.gz LWQRUOPTLAZCGU-HDICACEKSA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001017689024 1339391657 /nfs/dbraw/zinc/39/16/57/1339391657.db2.gz LWQRUOPTLAZCGU-HDICACEKSA-N 2 1 335.536 3.115 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001017959585 1339468394 /nfs/dbraw/zinc/46/83/94/1339468394.db2.gz UKPYIQKHXCVCTK-WCIQWLHISA-N 2 1 343.515 3.153 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001018310063 1339571284 /nfs/dbraw/zinc/57/12/84/1339571284.db2.gz DUJCMRCAJXHKNR-ZCNNSNEGSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCC1 ZINC001028181047 1340471420 /nfs/dbraw/zinc/47/14/20/1340471420.db2.gz MKRPAVRDFILRII-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC001028181047 1340471422 /nfs/dbraw/zinc/47/14/22/1340471422.db2.gz MKRPAVRDFILRII-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC001028181047 1340471430 /nfs/dbraw/zinc/47/14/30/1340471430.db2.gz MKRPAVRDFILRII-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001028579863 1340712389 /nfs/dbraw/zinc/71/23/89/1340712389.db2.gz KEOLUKZHECKYLN-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001028579863 1340712392 /nfs/dbraw/zinc/71/23/92/1340712392.db2.gz KEOLUKZHECKYLN-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001028579863 1340712394 /nfs/dbraw/zinc/71/23/94/1340712394.db2.gz KEOLUKZHECKYLN-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028754800 1340790423 /nfs/dbraw/zinc/79/04/23/1340790423.db2.gz AIDYETYRBFQDEM-ICSRJNTNSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028754800 1340790426 /nfs/dbraw/zinc/79/04/26/1340790426.db2.gz AIDYETYRBFQDEM-ICSRJNTNSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028754800 1340790429 /nfs/dbraw/zinc/79/04/29/1340790429.db2.gz AIDYETYRBFQDEM-ICSRJNTNSA-N 2 1 347.547 3.188 20 0 EGADMP O=C(NC[C@H]1CC[N@@H+](CCC2CC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028755639 1340791413 /nfs/dbraw/zinc/79/14/13/1340791413.db2.gz RDGJESNXGSELHW-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CC[NH+](CCC2CC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028755639 1340791417 /nfs/dbraw/zinc/79/14/17/1340791417.db2.gz RDGJESNXGSELHW-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CC[NH+](CCC2CC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028755639 1340791420 /nfs/dbraw/zinc/79/14/20/1340791420.db2.gz RDGJESNXGSELHW-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001028846073 1340857499 /nfs/dbraw/zinc/85/74/99/1340857499.db2.gz XETCHVRLUVAMGM-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001028846073 1340857502 /nfs/dbraw/zinc/85/75/02/1340857502.db2.gz XETCHVRLUVAMGM-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001028846073 1340857510 /nfs/dbraw/zinc/85/75/10/1340857510.db2.gz XETCHVRLUVAMGM-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001028901940 1340878768 /nfs/dbraw/zinc/87/87/68/1340878768.db2.gz KSFZDGUENRQJRJ-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001028902253 1340879209 /nfs/dbraw/zinc/87/92/09/1340879209.db2.gz RWUNMBKKWQCFPX-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](CCC(C)(C)C)C2)c1 ZINC001029001407 1340904904 /nfs/dbraw/zinc/90/49/04/1340904904.db2.gz XDNUVJIKLMIDCA-SFHVURJKSA-N 2 1 345.531 3.236 20 0 EGADMP C[C@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001029111538 1340932332 /nfs/dbraw/zinc/93/23/32/1340932332.db2.gz JVLVNMUGYVKRJS-LPHOPBHVSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]([NH2+]CC1CC1)C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001029113125 1340932993 /nfs/dbraw/zinc/93/29/93/1340932993.db2.gz GXUARNRWNZFHAJ-MRXNPFEDSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001029497373 1341000803 /nfs/dbraw/zinc/00/08/03/1341000803.db2.gz JZPJLUHRCBGDRQ-CALCHBBNSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001029497373 1341000804 /nfs/dbraw/zinc/00/08/04/1341000804.db2.gz JZPJLUHRCBGDRQ-CALCHBBNSA-N 2 1 346.519 3.118 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001029555642 1341011534 /nfs/dbraw/zinc/01/15/34/1341011534.db2.gz DOAGMWSWCDDXRC-WCIQWLHISA-N 2 1 343.515 3.153 20 0 EGADMP CC1CCC(C[N@@H+](C)C[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)CC1 ZINC001029754946 1341064100 /nfs/dbraw/zinc/06/41/00/1341064100.db2.gz GSMQAYLBMPZVHA-CTWPCTMYSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CCC(C[NH+](C)C[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001029754946 1341064104 /nfs/dbraw/zinc/06/41/04/1341064104.db2.gz GSMQAYLBMPZVHA-CTWPCTMYSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CCC(C[NH+](C)C[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001029754946 1341064106 /nfs/dbraw/zinc/06/41/06/1341064106.db2.gz GSMQAYLBMPZVHA-CTWPCTMYSA-N 2 1 349.563 3.077 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001031081959 1341275508 /nfs/dbraw/zinc/27/55/08/1341275508.db2.gz DYBKPTBSSSYNTR-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001031081959 1341275511 /nfs/dbraw/zinc/27/55/11/1341275511.db2.gz DYBKPTBSSSYNTR-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C ZINC001032664569 1341575883 /nfs/dbraw/zinc/57/58/83/1341575883.db2.gz ITDUVTJMWRHEBY-IRXDYDNUSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C ZINC001032664569 1341575884 /nfs/dbraw/zinc/57/58/84/1341575884.db2.gz ITDUVTJMWRHEBY-IRXDYDNUSA-N 2 1 346.519 3.118 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCC1 ZINC001032727164 1341593367 /nfs/dbraw/zinc/59/33/67/1341593367.db2.gz ZTEUQJQLWDAMKG-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1 ZINC001032727164 1341593368 /nfs/dbraw/zinc/59/33/68/1341593368.db2.gz ZTEUQJQLWDAMKG-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032727164 1341593369 /nfs/dbraw/zinc/59/33/69/1341593369.db2.gz ZTEUQJQLWDAMKG-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC1CCCC1 ZINC001032802640 1341618883 /nfs/dbraw/zinc/61/88/83/1341618883.db2.gz IBAGQVLHYZTNIY-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCCC1 ZINC001032802640 1341618884 /nfs/dbraw/zinc/61/88/84/1341618884.db2.gz IBAGQVLHYZTNIY-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCCC1 ZINC001032802640 1341618885 /nfs/dbraw/zinc/61/88/85/1341618885.db2.gz IBAGQVLHYZTNIY-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033077342 1341717860 /nfs/dbraw/zinc/71/78/60/1341717860.db2.gz QNZRUHCKKQKDQG-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083314 1341718942 /nfs/dbraw/zinc/71/89/42/1341718942.db2.gz ZPVWONIXQDXLPU-ICSRJNTNSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033083314 1341718943 /nfs/dbraw/zinc/71/89/43/1341718943.db2.gz ZPVWONIXQDXLPU-ICSRJNTNSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033083314 1341718945 /nfs/dbraw/zinc/71/89/45/1341718945.db2.gz ZPVWONIXQDXLPU-ICSRJNTNSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033126391 1341733876 /nfs/dbraw/zinc/73/38/76/1341733876.db2.gz MPFKEOXISOXBJC-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033126391 1341733877 /nfs/dbraw/zinc/73/38/77/1341733877.db2.gz MPFKEOXISOXBJC-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033126391 1341733879 /nfs/dbraw/zinc/73/38/79/1341733879.db2.gz MPFKEOXISOXBJC-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001033467860 1341837796 /nfs/dbraw/zinc/83/77/96/1341837796.db2.gz RQZLDHKBONCYCP-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033471580 1341839475 /nfs/dbraw/zinc/83/94/75/1341839475.db2.gz LLRIOUONCDYZOC-ZWKOTPCHSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001033471580 1341839476 /nfs/dbraw/zinc/83/94/76/1341839476.db2.gz LLRIOUONCDYZOC-ZWKOTPCHSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001033471580 1341839477 /nfs/dbraw/zinc/83/94/77/1341839477.db2.gz LLRIOUONCDYZOC-ZWKOTPCHSA-N 2 1 349.544 3.044 20 0 EGADMP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033508618 1341851696 /nfs/dbraw/zinc/85/16/96/1341851696.db2.gz MODCWHNZMMVZMI-LJQANCHMSA-N 2 1 345.531 3.331 20 0 EGADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001033593112 1341888482 /nfs/dbraw/zinc/88/84/82/1341888482.db2.gz GDQSXMPWSLMDKF-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001033593112 1341888483 /nfs/dbraw/zinc/88/84/83/1341888483.db2.gz GDQSXMPWSLMDKF-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001033593112 1341888484 /nfs/dbraw/zinc/88/84/84/1341888484.db2.gz GDQSXMPWSLMDKF-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033933427 1342096414 /nfs/dbraw/zinc/09/64/14/1342096414.db2.gz BPQRMJKKMSQDFI-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033933427 1342096419 /nfs/dbraw/zinc/09/64/19/1342096419.db2.gz BPQRMJKKMSQDFI-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033933427 1342096425 /nfs/dbraw/zinc/09/64/25/1342096425.db2.gz BPQRMJKKMSQDFI-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033940919 1342102818 /nfs/dbraw/zinc/10/28/18/1342102818.db2.gz LILNARRGPBNJDV-FQEVSTJZSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H](F)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034046213 1342186114 /nfs/dbraw/zinc/18/61/14/1342186114.db2.gz QSZLEABBPQUBFC-MOPGFXCFSA-N 2 1 349.494 3.033 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034217732 1342324324 /nfs/dbraw/zinc/32/43/24/1342324324.db2.gz UQQWEMHNMRWYPO-CEXWTWQISA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001034217732 1342324325 /nfs/dbraw/zinc/32/43/25/1342324325.db2.gz UQQWEMHNMRWYPO-CEXWTWQISA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001034217732 1342324328 /nfs/dbraw/zinc/32/43/28/1342324328.db2.gz UQQWEMHNMRWYPO-CEXWTWQISA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034249966 1342346909 /nfs/dbraw/zinc/34/69/09/1342346909.db2.gz NNKCJRCMRFSLDN-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034249966 1342346913 /nfs/dbraw/zinc/34/69/13/1342346913.db2.gz NNKCJRCMRFSLDN-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034249966 1342346916 /nfs/dbraw/zinc/34/69/16/1342346916.db2.gz NNKCJRCMRFSLDN-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034287966 1342375012 /nfs/dbraw/zinc/37/50/12/1342375012.db2.gz JRMSDCAFYJGCKJ-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034287966 1342375015 /nfs/dbraw/zinc/37/50/15/1342375015.db2.gz JRMSDCAFYJGCKJ-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034287966 1342375018 /nfs/dbraw/zinc/37/50/18/1342375018.db2.gz JRMSDCAFYJGCKJ-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C)C[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034425522 1342487425 /nfs/dbraw/zinc/48/74/25/1342487425.db2.gz GLROPHUQVWUNGB-IRXDYDNUSA-N 2 1 334.508 3.023 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034425522 1342487427 /nfs/dbraw/zinc/48/74/27/1342487427.db2.gz GLROPHUQVWUNGB-IRXDYDNUSA-N 2 1 334.508 3.023 20 0 EGADMP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426408 1342488077 /nfs/dbraw/zinc/48/80/77/1342488077.db2.gz MBKXCPZGNWYMKG-GOSISDBHSA-N 2 1 348.535 3.413 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426408 1342488078 /nfs/dbraw/zinc/48/80/78/1342488078.db2.gz MBKXCPZGNWYMKG-GOSISDBHSA-N 2 1 348.535 3.413 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034646809 1342669277 /nfs/dbraw/zinc/66/92/77/1342669277.db2.gz VWUVDLICYFMVAY-VAMGGRTRSA-N 2 1 349.563 3.457 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCC3)CC2)CC[N@H+]1C ZINC001034649052 1342670045 /nfs/dbraw/zinc/67/00/45/1342670045.db2.gz DGMHXMYRRPMFEK-LWYYNNOASA-N 2 1 349.563 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034659668 1342676141 /nfs/dbraw/zinc/67/61/41/1342676141.db2.gz WZBXEQYPTCSKSM-FHWLQOOXSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[C@@H]([NH2+]CC3CCC(C)CC3)CC2)C1 ZINC001034734482 1342728858 /nfs/dbraw/zinc/72/88/58/1342728858.db2.gz PIUFPJAECARHSM-TZCBXBLLSA-N 2 1 349.563 3.172 20 0 EGADMP CC1CCC(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001034776438 1342754239 /nfs/dbraw/zinc/75/42/39/1342754239.db2.gz UIPWLFYPONGILU-PWKSQPCKSA-N 2 1 349.563 3.172 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001034962560 1342854758 /nfs/dbraw/zinc/85/47/58/1342854758.db2.gz TYMYGRZMGXFNPS-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC2 ZINC001035193996 1343008064 /nfs/dbraw/zinc/00/80/64/1343008064.db2.gz RYKIQKZLSSRXQG-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CC2 ZINC001035193996 1343008065 /nfs/dbraw/zinc/00/80/65/1343008065.db2.gz RYKIQKZLSSRXQG-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CC2 ZINC001035193996 1343008068 /nfs/dbraw/zinc/00/80/68/1343008068.db2.gz RYKIQKZLSSRXQG-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC2(C[NH+](CC(CC)CC)C2)CC1 ZINC001035717862 1343150714 /nfs/dbraw/zinc/15/07/14/1343150714.db2.gz VAEIYAGXUWVLGW-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC3(C[NH+](CCC(C)C)C3)CC2)C1 ZINC001035772611 1343184573 /nfs/dbraw/zinc/18/45/73/1343184573.db2.gz HCZZBBVMLLKRCH-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001036098973 1343312213 /nfs/dbraw/zinc/31/22/13/1343312213.db2.gz XCAZGPNIPKIGSE-LPHOPBHVSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001036423115 1343477339 /nfs/dbraw/zinc/47/73/39/1343477339.db2.gz ZUVFHACTUIGWKO-FUHWJXTLSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036730967 1343660274 /nfs/dbraw/zinc/66/02/74/1343660274.db2.gz MCZCVLUBIUFALP-DOTOQJQBSA-N 2 1 349.544 3.146 20 0 EGADMP CCCC[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036834354 1343773182 /nfs/dbraw/zinc/77/31/82/1343773182.db2.gz ISNOGLQTIZRKOT-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036834354 1343773183 /nfs/dbraw/zinc/77/31/83/1343773183.db2.gz ISNOGLQTIZRKOT-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036834352 1343773380 /nfs/dbraw/zinc/77/33/80/1343773380.db2.gz ISNOGLQTIZRKOT-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036834352 1343773385 /nfs/dbraw/zinc/77/33/85/1343773385.db2.gz ISNOGLQTIZRKOT-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001038329599 1344383289 /nfs/dbraw/zinc/38/32/89/1344383289.db2.gz PVILKIMKHZECJH-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001038329599 1344383294 /nfs/dbraw/zinc/38/32/94/1344383294.db2.gz PVILKIMKHZECJH-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCC2(CC2)CC1 ZINC001038329599 1344383300 /nfs/dbraw/zinc/38/33/00/1344383300.db2.gz PVILKIMKHZECJH-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+]2CCC2=CCCCC2)C1 ZINC001038625879 1344510428 /nfs/dbraw/zinc/51/04/28/1344510428.db2.gz SMJHIDOTHOCAKS-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCC2=CCCCC2)C1 ZINC001038625879 1344510434 /nfs/dbraw/zinc/51/04/34/1344510434.db2.gz SMJHIDOTHOCAKS-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@H+]2CCC2=CCCCC2)C1 ZINC001038625879 1344510435 /nfs/dbraw/zinc/51/04/35/1344510435.db2.gz SMJHIDOTHOCAKS-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CCCC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039159240 1344844164 /nfs/dbraw/zinc/84/41/64/1344844164.db2.gz IDCGEXXHUVYPOU-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039159240 1344844167 /nfs/dbraw/zinc/84/41/67/1344844167.db2.gz IDCGEXXHUVYPOU-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039159240 1344844171 /nfs/dbraw/zinc/84/41/71/1344844171.db2.gz IDCGEXXHUVYPOU-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167567 1344855442 /nfs/dbraw/zinc/85/54/42/1344855442.db2.gz XSFZZQSMCMAHJB-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC001039167567 1344855445 /nfs/dbraw/zinc/85/54/45/1344855445.db2.gz XSFZZQSMCMAHJB-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC001039167567 1344855447 /nfs/dbraw/zinc/85/54/47/1344855447.db2.gz XSFZZQSMCMAHJB-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001039298724 1345002185 /nfs/dbraw/zinc/00/21/85/1345002185.db2.gz LCZXQXQHWDBOHY-QBUWPKIASA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001039474351 1345089294 /nfs/dbraw/zinc/08/92/94/1345089294.db2.gz CUAZGQPSQCMLLG-AABGKKOBSA-N 2 1 349.563 3.362 20 0 EGADMP CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001039486170 1345103923 /nfs/dbraw/zinc/10/39/23/1345103923.db2.gz ACXVMJZYLHLRCT-FQEVSTJZSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001039486170 1345103926 /nfs/dbraw/zinc/10/39/26/1345103926.db2.gz ACXVMJZYLHLRCT-FQEVSTJZSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001039486170 1345103929 /nfs/dbraw/zinc/10/39/29/1345103929.db2.gz ACXVMJZYLHLRCT-FQEVSTJZSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@H](C(=O)N1CCC([N@@H+](CC2CC2)CC2CC(C)C2)CC1)[NH+](C)C ZINC001039487095 1345106522 /nfs/dbraw/zinc/10/65/22/1345106522.db2.gz YHSUWTIWDDCTEW-OUNSHVDWSA-N 2 1 349.563 3.076 20 0 EGADMP CC[N@@H+](CC1CC1)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001039492263 1345112462 /nfs/dbraw/zinc/11/24/62/1345112462.db2.gz IGXYMBHTGXZFAH-UHFFFAOYSA-N 2 1 343.515 3.085 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001039528970 1345131300 /nfs/dbraw/zinc/13/13/00/1345131300.db2.gz VIUKQSAYDJKRGB-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001039528970 1345131303 /nfs/dbraw/zinc/13/13/03/1345131303.db2.gz VIUKQSAYDJKRGB-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCCCC1 ZINC001039528970 1345131306 /nfs/dbraw/zinc/13/13/06/1345131306.db2.gz VIUKQSAYDJKRGB-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001039913809 1345245270 /nfs/dbraw/zinc/24/52/70/1345245270.db2.gz DWPVKRRVQICWMN-RLLQIKCJSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001039913809 1345245274 /nfs/dbraw/zinc/24/52/74/1345245274.db2.gz DWPVKRRVQICWMN-RLLQIKCJSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001039913809 1345245278 /nfs/dbraw/zinc/24/52/78/1345245278.db2.gz DWPVKRRVQICWMN-RLLQIKCJSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CC1)[NH+]1CCCCCC1 ZINC001039939857 1345253201 /nfs/dbraw/zinc/25/32/01/1345253201.db2.gz UOYHDFXPPQQZAB-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040370127 1345459434 /nfs/dbraw/zinc/45/94/34/1345459434.db2.gz XDGUZMJXEFXICC-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040431365 1345494061 /nfs/dbraw/zinc/49/40/61/1345494061.db2.gz GNVQNBUBORXUEW-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040431365 1345494063 /nfs/dbraw/zinc/49/40/63/1345494063.db2.gz GNVQNBUBORXUEW-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040431365 1345494066 /nfs/dbraw/zinc/49/40/66/1345494066.db2.gz GNVQNBUBORXUEW-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040492867 1345519172 /nfs/dbraw/zinc/51/91/72/1345519172.db2.gz GEOBDFJUJMMXRI-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040492867 1345519174 /nfs/dbraw/zinc/51/91/74/1345519174.db2.gz GEOBDFJUJMMXRI-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040492867 1345519176 /nfs/dbraw/zinc/51/91/76/1345519176.db2.gz GEOBDFJUJMMXRI-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001040847452 1345587529 /nfs/dbraw/zinc/58/75/29/1345587529.db2.gz PJLMNBYWUFSZKC-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041769407 1345843984 /nfs/dbraw/zinc/84/39/84/1345843984.db2.gz OMCOTIXGZWRAJZ-GHTZIAJQSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041782020 1345847844 /nfs/dbraw/zinc/84/78/44/1345847844.db2.gz OSRZWEJIDXTYFI-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782020 1345847845 /nfs/dbraw/zinc/84/78/45/1345847845.db2.gz OSRZWEJIDXTYFI-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782020 1345847846 /nfs/dbraw/zinc/84/78/46/1345847846.db2.gz OSRZWEJIDXTYFI-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042368583 1346059321 /nfs/dbraw/zinc/05/93/21/1346059321.db2.gz RXQCXIUPGNBCME-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042371025 1346060961 /nfs/dbraw/zinc/06/09/61/1346060961.db2.gz KDXJICFJXFQXIC-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1C[NH+](CCC(C)(C)C)C1 ZINC001042725606 1346110333 /nfs/dbraw/zinc/11/03/33/1346110333.db2.gz XIXUNJIITUUCHK-KRWDZBQOSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2C)C1 ZINC001044335353 1346301118 /nfs/dbraw/zinc/30/11/18/1346301118.db2.gz HFFYIIBIGFVQOF-YLJYHZDGSA-N 2 1 343.515 3.073 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2C)C1 ZINC001044335353 1346301120 /nfs/dbraw/zinc/30/11/20/1346301120.db2.gz HFFYIIBIGFVQOF-YLJYHZDGSA-N 2 1 343.515 3.073 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045044714 1346484879 /nfs/dbraw/zinc/48/48/79/1346484879.db2.gz SLCZHVYLLPIFJU-AEFFLSMTSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001045200923 1346529296 /nfs/dbraw/zinc/52/92/96/1346529296.db2.gz VCYYRCDOIOIRBR-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001045229829 1346536546 /nfs/dbraw/zinc/53/65/46/1346536546.db2.gz VYISFKGVTOSPAL-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001045385125 1346580048 /nfs/dbraw/zinc/58/00/48/1346580048.db2.gz FRJAJEDAJIKLJA-IEBWSBKVSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CCCC3CCCC3)CC2)CC[N@H+]1C ZINC001045445055 1346595424 /nfs/dbraw/zinc/59/54/24/1346595424.db2.gz QRHJQQGBRJITCL-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2(C)CC[NH+](CC=C(C)C)CC2)C1 ZINC001045531738 1346619492 /nfs/dbraw/zinc/61/94/92/1346619492.db2.gz QDTJNSOQXQBDAD-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2(C)CC[NH+](CC=C(C)C)CC2)C1 ZINC001045531737 1346619495 /nfs/dbraw/zinc/61/94/95/1346619495.db2.gz QDTJNSOQXQBDAD-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)CC[N@H+]1C ZINC001045781740 1346696749 /nfs/dbraw/zinc/69/67/49/1346696749.db2.gz XEARQODYRGYVTE-YDZRNGNQSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001045781740 1346696752 /nfs/dbraw/zinc/69/67/52/1346696752.db2.gz XEARQODYRGYVTE-YDZRNGNQSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001045781740 1346696754 /nfs/dbraw/zinc/69/67/54/1346696754.db2.gz XEARQODYRGYVTE-YDZRNGNQSA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045938280 1346774329 /nfs/dbraw/zinc/77/43/29/1346774329.db2.gz WKFRVVOFYOOJPR-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045938280 1346774331 /nfs/dbraw/zinc/77/43/31/1346774331.db2.gz WKFRVVOFYOOJPR-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001045938280 1346774333 /nfs/dbraw/zinc/77/43/33/1346774333.db2.gz WKFRVVOFYOOJPR-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CC3CCC(C)(C)CC3)C2)CC[N@H+]1C ZINC001046330104 1346936229 /nfs/dbraw/zinc/93/62/29/1346936229.db2.gz WNSOJIYPQUQYOF-HGHGUNKESA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@H+](CC3CCC(C)(C)CC3)C2)CC[NH+]1C ZINC001046330104 1346936232 /nfs/dbraw/zinc/93/62/32/1346936232.db2.gz WNSOJIYPQUQYOF-HGHGUNKESA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@@H+](CC3CCC(C)(C)CC3)C2)CC[NH+]1C ZINC001046330104 1346936234 /nfs/dbraw/zinc/93/62/34/1346936234.db2.gz WNSOJIYPQUQYOF-HGHGUNKESA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CCC3CCCCCC3)C2)CC[N@H+]1C ZINC001046329428 1346936356 /nfs/dbraw/zinc/93/63/56/1346936356.db2.gz OROBQNSSOQLZRW-YFVAEKQCSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@H+](CCC3CCCCCC3)C2)CC[NH+]1C ZINC001046329428 1346936359 /nfs/dbraw/zinc/93/63/59/1346936359.db2.gz OROBQNSSOQLZRW-YFVAEKQCSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCC3CCCCCC3)C2)CC[NH+]1C ZINC001046329428 1346936361 /nfs/dbraw/zinc/93/63/61/1346936361.db2.gz OROBQNSSOQLZRW-YFVAEKQCSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@]1(NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+](CCCC2CCC2)C1 ZINC001046487311 1346991931 /nfs/dbraw/zinc/99/19/31/1346991931.db2.gz UDXPIPAPJZRPMC-FQEVSTJZSA-N 2 1 340.471 3.109 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(C)C)C1 ZINC001132366245 1375332799 /nfs/dbraw/zinc/33/27/99/1375332799.db2.gz YYMRJQRTEGHZGE-ZWKOTPCHSA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001048574965 1347600947 /nfs/dbraw/zinc/60/09/47/1347600947.db2.gz ZGDKDTVEBITJEM-FNLKRUPLSA-N 2 1 343.515 3.129 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001048599836 1347614112 /nfs/dbraw/zinc/61/41/12/1347614112.db2.gz FEDBZHSEYACJMF-LNLFQRSKSA-N 2 1 349.563 3.029 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CCCC3)CC2)CC[N@H+]1C ZINC001048606828 1347616604 /nfs/dbraw/zinc/61/66/04/1347616604.db2.gz ZHIBKXWDLSNFSP-VBSBHUPXSA-N 2 1 349.563 3.029 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCC(C)(C)C)CC[N@H+]1C ZINC001049483343 1347870818 /nfs/dbraw/zinc/87/08/18/1347870818.db2.gz VYHMQPRMQTYDGV-ZSYWTGECSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001049483343 1347870821 /nfs/dbraw/zinc/87/08/21/1347870821.db2.gz VYHMQPRMQTYDGV-ZSYWTGECSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001049483343 1347870823 /nfs/dbraw/zinc/87/08/23/1347870823.db2.gz VYHMQPRMQTYDGV-ZSYWTGECSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(C)(C)C)[NH+](C)C ZINC001049533042 1347895376 /nfs/dbraw/zinc/89/53/76/1347895376.db2.gz LXKGBBOBAYZDQJ-KURKYZTESA-N 2 1 337.552 3.074 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1=CCCCC1 ZINC001049553489 1347905656 /nfs/dbraw/zinc/90/56/56/1347905656.db2.gz VKBXWNUTGJXCQM-HSALFYBXSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1=CCCCC1 ZINC001049553489 1347905658 /nfs/dbraw/zinc/90/56/58/1347905658.db2.gz VKBXWNUTGJXCQM-HSALFYBXSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1=CCCCC1 ZINC001049553489 1347905660 /nfs/dbraw/zinc/90/56/60/1347905660.db2.gz VKBXWNUTGJXCQM-HSALFYBXSA-N 2 1 345.531 3.036 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCCC1)[NH+](C)C ZINC001049707144 1347984372 /nfs/dbraw/zinc/98/43/72/1347984372.db2.gz CJWWGGVJGBMRRH-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC1CCCC1 ZINC001049725286 1347991227 /nfs/dbraw/zinc/99/12/27/1347991227.db2.gz WHKFIOVXRQEMJD-MISYRCLQSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CCCC1 ZINC001049725286 1347991228 /nfs/dbraw/zinc/99/12/28/1347991228.db2.gz WHKFIOVXRQEMJD-MISYRCLQSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CCCC1 ZINC001049725286 1347991231 /nfs/dbraw/zinc/99/12/31/1347991231.db2.gz WHKFIOVXRQEMJD-MISYRCLQSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CC1)[NH+]1CCCCCC1 ZINC001049768165 1348011019 /nfs/dbraw/zinc/01/10/19/1348011019.db2.gz UFGYOPRBBNHAFG-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCC(C)(C)C)CC1 ZINC001049804691 1348028145 /nfs/dbraw/zinc/02/81/45/1348028145.db2.gz HLDBYURNMQSYSH-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CC1 ZINC001049837440 1348050473 /nfs/dbraw/zinc/05/04/73/1348050473.db2.gz PQOQSARRVHKVPL-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC001049837440 1348050475 /nfs/dbraw/zinc/05/04/75/1348050475.db2.gz PQOQSARRVHKVPL-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CC1 ZINC001049837440 1348050476 /nfs/dbraw/zinc/05/04/76/1348050476.db2.gz PQOQSARRVHKVPL-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC1CCCC1 ZINC001049896273 1348098398 /nfs/dbraw/zinc/09/83/98/1348098398.db2.gz MLALKHCMKSICLK-PMACEKPBSA-N 2 1 347.547 3.118 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CCCCC1 ZINC001049898217 1348099190 /nfs/dbraw/zinc/09/91/90/1348099190.db2.gz XOQBCNWHKHAZHK-VQTJNVASSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049913995 1348108994 /nfs/dbraw/zinc/10/89/94/1348108994.db2.gz LCCJICDJAXBJBM-ZCNNSNEGSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](CCC(C)(C)C)C[C@H]32)CC[N@H+]1C ZINC001050051041 1348165657 /nfs/dbraw/zinc/16/56/57/1348165657.db2.gz LZUDBGRTKPLDIS-INDMIFKZSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[N@H+](CCC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001050051041 1348165658 /nfs/dbraw/zinc/16/56/58/1348165658.db2.gz LZUDBGRTKPLDIS-INDMIFKZSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](CCC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001050051041 1348165659 /nfs/dbraw/zinc/16/56/59/1348165659.db2.gz LZUDBGRTKPLDIS-INDMIFKZSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050068918 1348171931 /nfs/dbraw/zinc/17/19/31/1348171931.db2.gz PKHDQCDEZGZDPS-XUVXKRRUSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001050068918 1348171933 /nfs/dbraw/zinc/17/19/33/1348171933.db2.gz PKHDQCDEZGZDPS-XUVXKRRUSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001050068918 1348171935 /nfs/dbraw/zinc/17/19/35/1348171935.db2.gz PKHDQCDEZGZDPS-XUVXKRRUSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]21)[NH+](C)C ZINC001050144632 1348194806 /nfs/dbraw/zinc/19/48/06/1348194806.db2.gz LLJISAODRRHHCW-FRYIKTPZSA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCc2ccc([C@H](C)[NH2+]CC3CC3)cc2)CC[N@H+]1C ZINC001050262555 1348221936 /nfs/dbraw/zinc/22/19/36/1348221936.db2.gz BSDHKPJGLDGYPS-RYGJVYDSSA-N 2 1 343.515 3.094 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001050336526 1348230674 /nfs/dbraw/zinc/23/06/74/1348230674.db2.gz NBAIDYUFXZZECS-VAMGGRTRSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447473 1348543958 /nfs/dbraw/zinc/54/39/58/1348543958.db2.gz FLHZYQMMFDAYRP-UYAOXDASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052447473 1348543959 /nfs/dbraw/zinc/54/39/59/1348543959.db2.gz FLHZYQMMFDAYRP-UYAOXDASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052447473 1348543962 /nfs/dbraw/zinc/54/39/62/1348543962.db2.gz FLHZYQMMFDAYRP-UYAOXDASSA-N 2 1 347.547 3.330 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052487533 1348554685 /nfs/dbraw/zinc/55/46/85/1348554685.db2.gz ZSIBNIIGYCNFAO-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2=CCCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001052526959 1348566788 /nfs/dbraw/zinc/56/67/88/1348566788.db2.gz NVRZGTXKUGWHCI-LJQANCHMSA-N 2 1 345.531 3.086 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052663778 1348618451 /nfs/dbraw/zinc/61/84/51/1348618451.db2.gz ZBHLBFLQUTWZKW-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052715582 1348645861 /nfs/dbraw/zinc/64/58/61/1348645861.db2.gz GASDQNNDUBNVDO-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC001052715582 1348645862 /nfs/dbraw/zinc/64/58/62/1348645862.db2.gz GASDQNNDUBNVDO-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001052715582 1348645863 /nfs/dbraw/zinc/64/58/63/1348645863.db2.gz GASDQNNDUBNVDO-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001052758164 1348666461 /nfs/dbraw/zinc/66/64/61/1348666461.db2.gz SCMVCATUXSGLHH-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001052758164 1348666466 /nfs/dbraw/zinc/66/64/66/1348666466.db2.gz SCMVCATUXSGLHH-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC(C)C)CC1 ZINC001052858305 1348704560 /nfs/dbraw/zinc/70/45/60/1348704560.db2.gz BSTQTLCYISVKQG-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(C)C)CC1 ZINC001052858305 1348704564 /nfs/dbraw/zinc/70/45/64/1348704564.db2.gz BSTQTLCYISVKQG-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(C)C)CC1 ZINC001052858305 1348704566 /nfs/dbraw/zinc/70/45/66/1348704566.db2.gz BSTQTLCYISVKQG-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052955273 1348769681 /nfs/dbraw/zinc/76/96/81/1348769681.db2.gz BTNCCLACBZZSPK-MJGOQNOKSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053038663 1348839704 /nfs/dbraw/zinc/83/97/04/1348839704.db2.gz ABPDNMWPOBUCQB-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001053038663 1348839705 /nfs/dbraw/zinc/83/97/05/1348839705.db2.gz ABPDNMWPOBUCQB-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001053038663 1348839708 /nfs/dbraw/zinc/83/97/08/1348839708.db2.gz ABPDNMWPOBUCQB-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087197 1348911077 /nfs/dbraw/zinc/91/10/77/1348911077.db2.gz IWIDLJOBNUAALO-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053087197 1348911079 /nfs/dbraw/zinc/91/10/79/1348911079.db2.gz IWIDLJOBNUAALO-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053087197 1348911082 /nfs/dbraw/zinc/91/10/82/1348911082.db2.gz IWIDLJOBNUAALO-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001053090786 1348916499 /nfs/dbraw/zinc/91/64/99/1348916499.db2.gz IODSOGRNDZELKF-PKOBYXMFSA-N 2 1 340.471 3.061 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054184499 1349187564 /nfs/dbraw/zinc/18/75/64/1349187564.db2.gz FRXJOOHRVKPPKG-IRFCIJBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001054184499 1349187569 /nfs/dbraw/zinc/18/75/69/1349187569.db2.gz FRXJOOHRVKPPKG-IRFCIJBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001054184499 1349187570 /nfs/dbraw/zinc/18/75/70/1349187570.db2.gz FRXJOOHRVKPPKG-IRFCIJBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001054209277 1349210885 /nfs/dbraw/zinc/21/08/85/1349210885.db2.gz MYBZGGUOIBSVQG-HXUWFJFHSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001054209277 1349210887 /nfs/dbraw/zinc/21/08/87/1349210887.db2.gz MYBZGGUOIBSVQG-HXUWFJFHSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246159 1349240291 /nfs/dbraw/zinc/24/02/91/1349240291.db2.gz OZKJCLKZOVTQHZ-PZJWPPBQSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246159 1349240293 /nfs/dbraw/zinc/24/02/93/1349240293.db2.gz OZKJCLKZOVTQHZ-PZJWPPBQSA-N 2 1 343.515 3.014 20 0 EGADMP CCCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C(C)C)cc2C1 ZINC001054264464 1349261488 /nfs/dbraw/zinc/26/14/88/1349261488.db2.gz FKKGKEBFWAWLGC-HXUWFJFHSA-N 2 1 343.515 3.291 20 0 EGADMP CCCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)cc2C1 ZINC001054264464 1349261493 /nfs/dbraw/zinc/26/14/93/1349261493.db2.gz FKKGKEBFWAWLGC-HXUWFJFHSA-N 2 1 343.515 3.291 20 0 EGADMP CCCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)cc2C1 ZINC001054264464 1349261496 /nfs/dbraw/zinc/26/14/96/1349261496.db2.gz FKKGKEBFWAWLGC-HXUWFJFHSA-N 2 1 343.515 3.291 20 0 EGADMP CC(C)CC[N@H+]1Cc2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2C1 ZINC001054279845 1349280842 /nfs/dbraw/zinc/28/08/42/1349280842.db2.gz PTRGLQYDWIYXEU-UHFFFAOYSA-N 2 1 343.515 3.006 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080667568 1357718590 /nfs/dbraw/zinc/71/85/90/1357718590.db2.gz KOXIXDDNECZVCJ-UYAOXDASSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001183082562 1387259635 /nfs/dbraw/zinc/25/96/35/1387259635.db2.gz YUJYRWATKYRORM-CLKPHGLSSA-N 2 1 337.552 3.149 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@H+]1Cc1ccccc1 ZINC001071685532 1354849851 /nfs/dbraw/zinc/84/98/51/1354849851.db2.gz DAQNQVFESMJXLL-LPHOPBHVSA-N 2 1 348.450 3.117 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001071689865 1354853760 /nfs/dbraw/zinc/85/37/60/1354853760.db2.gz QPEVAVFAYUGDQE-QFBILLFUSA-N 2 1 344.503 3.051 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001071689865 1354853763 /nfs/dbraw/zinc/85/37/63/1354853763.db2.gz QPEVAVFAYUGDQE-QFBILLFUSA-N 2 1 344.503 3.051 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CCC1CCCC1 ZINC001071736089 1354888293 /nfs/dbraw/zinc/88/82/93/1354888293.db2.gz XIQLKBAGZNSJSG-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001071739301 1354888871 /nfs/dbraw/zinc/88/88/71/1354888871.db2.gz QNVLGLJCLXNICK-MJGOQNOKSA-N 2 1 343.515 3.030 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001071768899 1354915272 /nfs/dbraw/zinc/91/52/72/1354915272.db2.gz FYOMAKQKLWUQSC-CRAIPNDOSA-N 2 1 349.519 3.360 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001071768899 1354915280 /nfs/dbraw/zinc/91/52/80/1354915280.db2.gz FYOMAKQKLWUQSC-CRAIPNDOSA-N 2 1 349.519 3.360 20 0 EGADMP CCCC[N@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001071829006 1354965467 /nfs/dbraw/zinc/96/54/67/1354965467.db2.gz YNAABDVKWLQEMI-YLJYHZDGSA-N 2 1 345.531 3.174 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCCC2)C1 ZINC001071867827 1354993296 /nfs/dbraw/zinc/99/32/96/1354993296.db2.gz FGMUBJYCCYFTRK-SJLPKXTDSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CCCC2)C1 ZINC001071867827 1354993298 /nfs/dbraw/zinc/99/32/98/1354993298.db2.gz FGMUBJYCCYFTRK-SJLPKXTDSA-N 2 1 346.519 3.166 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C)[N@@H+](CC3CCCCC3)C2)CC1 ZINC001071931480 1355031682 /nfs/dbraw/zinc/03/16/82/1355031682.db2.gz WCRZXGBAHADTNE-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[N@H+]1CCCC1CCCC1 ZINC001071996257 1355065068 /nfs/dbraw/zinc/06/50/68/1355065068.db2.gz PQDVTAZJCKIXRP-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCC1)[NH+]1CCCCCC1 ZINC001074075591 1356070064 /nfs/dbraw/zinc/07/00/64/1356070064.db2.gz HQHJCPJDCYSBGL-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001074092102 1356077797 /nfs/dbraw/zinc/07/77/97/1356077797.db2.gz VBLUPJYWVBJTKP-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001074092102 1356077799 /nfs/dbraw/zinc/07/77/99/1356077799.db2.gz VBLUPJYWVBJTKP-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001074092102 1356077803 /nfs/dbraw/zinc/07/78/03/1356077803.db2.gz VBLUPJYWVBJTKP-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCCCF)[NH+](C)C ZINC001099125794 1363638972 /nfs/dbraw/zinc/63/89/72/1363638972.db2.gz KWBLATAKUSIEHW-IAGOWNOFSA-N 2 1 343.531 3.073 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCCCCF ZINC001099315554 1363745542 /nfs/dbraw/zinc/74/55/42/1363745542.db2.gz HBLSMNYLYRLJOI-QGZVFWFLSA-N 2 1 343.531 3.075 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCCCF ZINC001099315554 1363745544 /nfs/dbraw/zinc/74/55/44/1363745544.db2.gz HBLSMNYLYRLJOI-QGZVFWFLSA-N 2 1 343.531 3.075 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCCCF ZINC001099315554 1363745545 /nfs/dbraw/zinc/74/55/45/1363745545.db2.gz HBLSMNYLYRLJOI-QGZVFWFLSA-N 2 1 343.531 3.075 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001082508275 1358052498 /nfs/dbraw/zinc/05/24/98/1358052498.db2.gz XAZZKXKRNRLNTP-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001082783293 1358092285 /nfs/dbraw/zinc/09/22/85/1358092285.db2.gz OXOJLBNCOSXONV-RLLQIKCJSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001082783240 1358092366 /nfs/dbraw/zinc/09/23/66/1358092366.db2.gz JZHMEUHZSPMCSS-BHIYHBOVSA-N 2 1 349.563 3.122 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001085152325 1358414059 /nfs/dbraw/zinc/41/40/59/1358414059.db2.gz ALIXJUUKXDLUER-GUDVDZBRSA-N 2 1 335.536 3.068 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001085217890 1358436196 /nfs/dbraw/zinc/43/61/96/1358436196.db2.gz WIUZRDYEPIVKQC-GUDVDZBRSA-N 2 1 349.563 3.314 20 0 EGADMP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183754308 1387344307 /nfs/dbraw/zinc/34/43/07/1387344307.db2.gz XFXAEQHAMRFNOM-FPOVZHCZSA-N 2 1 349.478 3.396 20 0 EGADMP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183754308 1387344310 /nfs/dbraw/zinc/34/43/10/1387344310.db2.gz XFXAEQHAMRFNOM-FPOVZHCZSA-N 2 1 349.478 3.396 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC1CCC1 ZINC001085687560 1358688213 /nfs/dbraw/zinc/68/82/13/1358688213.db2.gz QQDHTKYBNAJXIH-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC1CCC1 ZINC001085687560 1358688216 /nfs/dbraw/zinc/68/82/16/1358688216.db2.gz QQDHTKYBNAJXIH-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCC1 ZINC001085687560 1358688219 /nfs/dbraw/zinc/68/82/19/1358688219.db2.gz QQDHTKYBNAJXIH-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC2CC(C)(C)C2)C1 ZINC001085778749 1358753218 /nfs/dbraw/zinc/75/32/18/1358753218.db2.gz GMHLEOBGVZRMLC-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CC(C)(C)C2)C1 ZINC001085778749 1358753225 /nfs/dbraw/zinc/75/32/25/1358753225.db2.gz GMHLEOBGVZRMLC-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CC(C)(C)C2)C1 ZINC001085778749 1358753228 /nfs/dbraw/zinc/75/32/28/1358753228.db2.gz GMHLEOBGVZRMLC-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC2CCCCCC2)CC[N@H+]1C ZINC001085783118 1358758005 /nfs/dbraw/zinc/75/80/05/1358758005.db2.gz NCHOQVVMZMSTPS-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CCCCCC2)CC[NH+]1C ZINC001085783118 1358758010 /nfs/dbraw/zinc/75/80/10/1358758010.db2.gz NCHOQVVMZMSTPS-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CCCCCC2)CC[NH+]1C ZINC001085783118 1358758014 /nfs/dbraw/zinc/75/80/14/1358758014.db2.gz NCHOQVVMZMSTPS-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC(C)(C)C ZINC001085856359 1358824345 /nfs/dbraw/zinc/82/43/45/1358824345.db2.gz XGBSYAVBZRWZAS-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC(C)(C)C ZINC001085856359 1358824348 /nfs/dbraw/zinc/82/43/48/1358824348.db2.gz XGBSYAVBZRWZAS-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001085856359 1358824352 /nfs/dbraw/zinc/82/43/52/1358824352.db2.gz XGBSYAVBZRWZAS-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCCC3)C2)CC[N@H+]1C ZINC001086177198 1359016437 /nfs/dbraw/zinc/01/64/37/1359016437.db2.gz KFEWMKPBBBGADS-FRYIKTPZSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086453841 1359101413 /nfs/dbraw/zinc/10/14/13/1359101413.db2.gz GCIIJRJBQPLHQX-VAMGGRTRSA-N 2 1 349.563 3.173 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086558651 1359145388 /nfs/dbraw/zinc/14/53/88/1359145388.db2.gz GUSCUJYSEOQHTB-QGZVKYPTSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001086820210 1359208216 /nfs/dbraw/zinc/20/82/16/1359208216.db2.gz UQNFOBSFLPYHMT-XUVXKRRUSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001086938441 1359261293 /nfs/dbraw/zinc/26/12/93/1359261293.db2.gz QCBSYJZDKUFLQH-OALUTQOASA-N 2 1 347.547 3.140 20 0 EGADMP CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cn3cc[nH+]c3C(C)C)C2)CC1 ZINC001086945628 1359266830 /nfs/dbraw/zinc/26/68/30/1359266830.db2.gz FZFWHJHCCMXZAQ-QGZVFWFLSA-N 2 1 346.519 3.120 20 0 EGADMP CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCn3cc[nH+]c3C(C)C)C2)CC1 ZINC001086947351 1359268551 /nfs/dbraw/zinc/26/85/51/1359268551.db2.gz VVBZGDKYDJSBNC-QGZVFWFLSA-N 2 1 346.519 3.120 20 0 EGADMP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001087201230 1359319147 /nfs/dbraw/zinc/31/91/47/1359319147.db2.gz HOWHPRIXJVVZHS-NEWSRXKRSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1CC(C)C ZINC001087572735 1359536948 /nfs/dbraw/zinc/53/69/48/1359536948.db2.gz DGMPIVGAMLUXLY-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1CC(C)C ZINC001087572735 1359536952 /nfs/dbraw/zinc/53/69/52/1359536952.db2.gz DGMPIVGAMLUXLY-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1CC(C)C ZINC001087572735 1359536953 /nfs/dbraw/zinc/53/69/53/1359536953.db2.gz DGMPIVGAMLUXLY-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1CC ZINC001087640787 1359566311 /nfs/dbraw/zinc/56/63/11/1359566311.db2.gz XCWRYUBZFWPOOS-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1CC ZINC001087643112 1359568081 /nfs/dbraw/zinc/56/80/81/1359568081.db2.gz ZPXZOMTYJJNMHG-RBUKOAKNSA-N 2 1 342.487 3.353 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@@H+]1CCC1=CCCCC1 ZINC001087659467 1359576457 /nfs/dbraw/zinc/57/64/57/1359576457.db2.gz JEJLSDLJYGNUMK-RBUKOAKNSA-N 2 1 344.503 3.051 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@H+]1CCC1=CCCCC1 ZINC001087659467 1359576461 /nfs/dbraw/zinc/57/64/61/1359576461.db2.gz JEJLSDLJYGNUMK-RBUKOAKNSA-N 2 1 344.503 3.051 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CCC1CCCCCC1 ZINC001087828766 1359667369 /nfs/dbraw/zinc/66/73/69/1359667369.db2.gz VAMCRIBTIYVGSU-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CCC1CCCCCC1 ZINC001087828766 1359667375 /nfs/dbraw/zinc/66/73/75/1359667375.db2.gz VAMCRIBTIYVGSU-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCC1CCCCCC1 ZINC001087828766 1359667377 /nfs/dbraw/zinc/66/73/77/1359667377.db2.gz VAMCRIBTIYVGSU-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1CC ZINC001087845011 1359678541 /nfs/dbraw/zinc/67/85/41/1359678541.db2.gz AYSYPWWVJNAYOH-DLBZAZTESA-N 2 1 335.492 3.114 20 0 EGADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCCCC3)CC[C@@H]2C1)[NH+](C)C ZINC001088109650 1359759200 /nfs/dbraw/zinc/75/92/00/1359759200.db2.gz QASNESRQBHJNQG-AABGKKOBSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3nonc3c2)CC1 ZINC001184206927 1387414969 /nfs/dbraw/zinc/41/49/69/1387414969.db2.gz OFAZUVBEENIQCS-IFXJQAMLSA-N 2 1 328.460 3.356 20 0 EGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCCCC[C@H]([NH2+]CC2CC2)C1 ZINC001088327570 1359831822 /nfs/dbraw/zinc/83/18/22/1359831822.db2.gz QHROJFNSBIVYPJ-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP CC1CC(C[NH2+][C@H]2CCCCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001088380163 1359862857 /nfs/dbraw/zinc/86/28/57/1359862857.db2.gz ARUZLCRNALJQPH-ACBHZAAOSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCCC[C@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001088382019 1359865113 /nfs/dbraw/zinc/86/51/13/1359865113.db2.gz RYEZDECRYFIZPC-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001088382990 1359865394 /nfs/dbraw/zinc/86/53/94/1359865394.db2.gz RBVOTKDEBDAXTM-FUHWJXTLSA-N 2 1 349.544 3.093 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001088395152 1359871003 /nfs/dbraw/zinc/87/10/03/1359871003.db2.gz YWZSYKNNPVDFIJ-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CCC(C)(C)C ZINC001088567390 1359976553 /nfs/dbraw/zinc/97/65/53/1359976553.db2.gz KUNNYQFGIWLEGH-SJORKVTESA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC001088567570 1359976985 /nfs/dbraw/zinc/97/69/85/1359976985.db2.gz WNATZDGLUXYYOT-AEFFLSMTSA-N 2 1 337.552 3.266 20 0 EGADMP CC1CC(C[N@@H+]2CC[C@H](NC(=O)c3sccc3C[NH+](C)C)[C@H]2C)C1 ZINC001088600198 1359987991 /nfs/dbraw/zinc/98/79/91/1359987991.db2.gz BJVAJCBUNSELCC-BJDYSFLHSA-N 2 1 349.544 3.048 20 0 EGADMP CC1CC(C[N@H+]2CC[C@H](NC(=O)c3sccc3C[NH+](C)C)[C@H]2C)C1 ZINC001088600198 1359987996 /nfs/dbraw/zinc/98/79/96/1359987996.db2.gz BJVAJCBUNSELCC-BJDYSFLHSA-N 2 1 349.544 3.048 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)[C@@H]1C ZINC001088604962 1359988824 /nfs/dbraw/zinc/98/88/24/1359988824.db2.gz AXSMRLSLMFLMTL-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)[C@@H]1C ZINC001088604962 1359988828 /nfs/dbraw/zinc/98/88/28/1359988828.db2.gz AXSMRLSLMFLMTL-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)[C@@H]1C ZINC001088604962 1359988830 /nfs/dbraw/zinc/98/88/30/1359988830.db2.gz AXSMRLSLMFLMTL-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)[C@@H]1C ZINC001088605156 1359989064 /nfs/dbraw/zinc/98/90/64/1359989064.db2.gz JEKJAVQZCGKFFC-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)[C@@H]1C ZINC001088605156 1359989067 /nfs/dbraw/zinc/98/90/67/1359989067.db2.gz JEKJAVQZCGKFFC-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)[C@@H]1C ZINC001088605156 1359989070 /nfs/dbraw/zinc/98/90/70/1359989070.db2.gz JEKJAVQZCGKFFC-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)[C@@H]1C ZINC001088970548 1360119612 /nfs/dbraw/zinc/11/96/12/1360119612.db2.gz FHHQSZLQTNUZTP-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@@H]1C ZINC001088970548 1360119615 /nfs/dbraw/zinc/11/96/15/1360119615.db2.gz FHHQSZLQTNUZTP-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H]1C ZINC001088970548 1360119616 /nfs/dbraw/zinc/11/96/16/1360119616.db2.gz FHHQSZLQTNUZTP-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[N@H+]1CCC(C)(C)C ZINC001088971110 1360120148 /nfs/dbraw/zinc/12/01/48/1360120148.db2.gz CFLFZABPPFDNHJ-APWZRJJASA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)[C@@H]1C ZINC001089061024 1360152824 /nfs/dbraw/zinc/15/28/24/1360152824.db2.gz UCODOVHVQRRTSW-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)[C@@H]1C ZINC001089061024 1360152826 /nfs/dbraw/zinc/15/28/26/1360152826.db2.gz UCODOVHVQRRTSW-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)[C@@H]1C ZINC001089061024 1360152829 /nfs/dbraw/zinc/15/28/29/1360152829.db2.gz UCODOVHVQRRTSW-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2=CCCCC2)CC(C)(C)C1 ZINC001089336514 1360349937 /nfs/dbraw/zinc/34/99/37/1360349937.db2.gz UWMFXISACYMELD-RTBURBONSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2=CCCCC2)CC(C)(C)C1 ZINC001089336514 1360349941 /nfs/dbraw/zinc/34/99/41/1360349941.db2.gz UWMFXISACYMELD-RTBURBONSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)CC(C)(C)C1 ZINC001089336514 1360349944 /nfs/dbraw/zinc/34/99/44/1360349944.db2.gz UWMFXISACYMELD-RTBURBONSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(C)C)CC(C)(C)C1 ZINC001089399966 1360399724 /nfs/dbraw/zinc/39/97/24/1360399724.db2.gz AEGFWLYMOJFYDV-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(C)C)CC(C)(C)C1 ZINC001089399966 1360399727 /nfs/dbraw/zinc/39/97/27/1360399727.db2.gz AEGFWLYMOJFYDV-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(C)C)CC(C)(C)C1 ZINC001089399966 1360399730 /nfs/dbraw/zinc/39/97/30/1360399730.db2.gz AEGFWLYMOJFYDV-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405435 1360403916 /nfs/dbraw/zinc/40/39/16/1360403916.db2.gz CAAHKGHEJVXTKK-SJORKVTESA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089405435 1360403918 /nfs/dbraw/zinc/40/39/18/1360403918.db2.gz CAAHKGHEJVXTKK-SJORKVTESA-N 2 1 346.519 3.023 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089442849 1360432732 /nfs/dbraw/zinc/43/27/32/1360432732.db2.gz VDIFMMZFADTJFS-QGZVFWFLSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089442849 1360432734 /nfs/dbraw/zinc/43/27/34/1360432734.db2.gz VDIFMMZFADTJFS-QGZVFWFLSA-N 2 1 348.535 3.235 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089512011 1360483497 /nfs/dbraw/zinc/48/34/97/1360483497.db2.gz YASTXGUHEQJMFO-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089512011 1360483498 /nfs/dbraw/zinc/48/34/98/1360483498.db2.gz YASTXGUHEQJMFO-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089512011 1360483499 /nfs/dbraw/zinc/48/34/99/1360483499.db2.gz YASTXGUHEQJMFO-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001089734067 1360638499 /nfs/dbraw/zinc/63/84/99/1360638499.db2.gz GZQJFJBSDMRNSO-GOSISDBHSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001091112514 1360993871 /nfs/dbraw/zinc/99/38/71/1360993871.db2.gz VRTGUVKOGMWWAP-SOAGJPPSSA-N 2 1 349.563 3.172 20 0 EGADMP CC[N@H+](CC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1)C(C)C ZINC001323939698 1387498828 /nfs/dbraw/zinc/49/88/28/1387498828.db2.gz GBEDWYCDQUFPGM-UHFFFAOYSA-N 2 1 341.540 3.390 20 0 EGADMP CC[N@@H+](CC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1)C(C)C ZINC001323939698 1387498829 /nfs/dbraw/zinc/49/88/29/1387498829.db2.gz GBEDWYCDQUFPGM-UHFFFAOYSA-N 2 1 341.540 3.390 20 0 EGADMP C[C@H](N[C@@H]1CCCC[C@@H]1[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC001323991980 1387505247 /nfs/dbraw/zinc/50/52/47/1387505247.db2.gz URARPPTWJTXGMX-DBVUQKKJSA-N 2 1 333.520 3.150 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092735754 1361449458 /nfs/dbraw/zinc/44/94/58/1361449458.db2.gz FMDDMNQMWGETDC-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001092735754 1361449460 /nfs/dbraw/zinc/44/94/60/1361449460.db2.gz FMDDMNQMWGETDC-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001092735754 1361449464 /nfs/dbraw/zinc/44/94/64/1361449464.db2.gz FMDDMNQMWGETDC-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCC(C)(C)C)CC3)CC1 ZINC001094503505 1361833228 /nfs/dbraw/zinc/83/32/28/1361833228.db2.gz IBDCFTAVKMQERC-WIYYLYMNSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001095605973 1362183408 /nfs/dbraw/zinc/18/34/08/1362183408.db2.gz MSGLJLNWCZTVEQ-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001095624493 1362188680 /nfs/dbraw/zinc/18/86/80/1362188680.db2.gz FLXCHXUQZCATQV-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001095624493 1362188682 /nfs/dbraw/zinc/18/86/82/1362188682.db2.gz FLXCHXUQZCATQV-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001095624493 1362188684 /nfs/dbraw/zinc/18/86/84/1362188684.db2.gz FLXCHXUQZCATQV-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001095624493 1362188685 /nfs/dbraw/zinc/18/86/85/1362188685.db2.gz FLXCHXUQZCATQV-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001095695058 1362203381 /nfs/dbraw/zinc/20/33/81/1362203381.db2.gz GSXDPTNLMPMYSK-NJAFHUGGSA-N 2 1 340.471 3.106 20 0 EGADMP C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001096100896 1362383265 /nfs/dbraw/zinc/38/32/65/1362383265.db2.gz JRUOYHQIZLJPOX-RDGPPVDQSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC1 ZINC001096313514 1362459975 /nfs/dbraw/zinc/45/99/75/1362459975.db2.gz IXKDOTGZHLNMLU-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1 ZINC001096313514 1362459977 /nfs/dbraw/zinc/45/99/77/1362459977.db2.gz IXKDOTGZHLNMLU-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001096313514 1362459981 /nfs/dbraw/zinc/45/99/81/1362459981.db2.gz IXKDOTGZHLNMLU-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCCC2)C1 ZINC001096538868 1362564711 /nfs/dbraw/zinc/56/47/11/1362564711.db2.gz PHAZCNFOZABHLM-ZRNYENFQSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCCCC2)C1 ZINC001096538868 1362564715 /nfs/dbraw/zinc/56/47/15/1362564715.db2.gz PHAZCNFOZABHLM-ZRNYENFQSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCCCC2)C1 ZINC001096538868 1362564716 /nfs/dbraw/zinc/56/47/16/1362564716.db2.gz PHAZCNFOZABHLM-ZRNYENFQSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC(C)(C)C)C1 ZINC001097210082 1362887130 /nfs/dbraw/zinc/88/71/30/1362887130.db2.gz OBXIIMBDTBEAJD-MKXGPGLRSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC(C)(C)C)C1 ZINC001097210082 1362887133 /nfs/dbraw/zinc/88/71/33/1362887133.db2.gz OBXIIMBDTBEAJD-MKXGPGLRSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(C)(C)C)C1 ZINC001097210082 1362887135 /nfs/dbraw/zinc/88/71/35/1362887135.db2.gz OBXIIMBDTBEAJD-MKXGPGLRSA-N 2 1 349.563 3.122 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)C ZINC001098191201 1363250163 /nfs/dbraw/zinc/25/01/63/1363250163.db2.gz APZFUJAWGHGCEW-ZRNYENFQSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)C ZINC001098191201 1363250165 /nfs/dbraw/zinc/25/01/65/1363250165.db2.gz APZFUJAWGHGCEW-ZRNYENFQSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001098191201 1363250167 /nfs/dbraw/zinc/25/01/67/1363250167.db2.gz APZFUJAWGHGCEW-ZRNYENFQSA-N 2 1 349.563 3.409 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCC2)C1 ZINC001098219672 1363258757 /nfs/dbraw/zinc/25/87/57/1363258757.db2.gz OQWHNKADJMJCKY-WTGUMLROSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCCC2)C1 ZINC001098219672 1363258758 /nfs/dbraw/zinc/25/87/58/1363258758.db2.gz OQWHNKADJMJCKY-WTGUMLROSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCCC2)C1 ZINC001098219672 1363258762 /nfs/dbraw/zinc/25/87/62/1363258762.db2.gz OQWHNKADJMJCKY-WTGUMLROSA-N 2 1 347.547 3.020 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC001324458200 1387629442 /nfs/dbraw/zinc/62/94/42/1387629442.db2.gz XSWVEXUGJPATNZ-DLBZAZTESA-N 2 1 348.560 3.358 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001099075154 1363609498 /nfs/dbraw/zinc/60/94/98/1363609498.db2.gz VINQZFUNNMYEAU-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099110982 1363628736 /nfs/dbraw/zinc/62/87/36/1363628736.db2.gz NHZFLSUUKRSIOK-JTHGQSKGSA-N 2 1 349.563 3.434 20 0 EGADMP CC1CC(C[N@H+]2CC(C)(C)CC[C@H]2CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001099110938 1363629114 /nfs/dbraw/zinc/62/91/14/1363629114.db2.gz MIBUOMOSFFLPKQ-TVPLGVNVSA-N 2 1 349.563 3.124 20 0 EGADMP CC1CC(C[NH+]2CC(C)(C)CC[C@H]2CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001099110938 1363629117 /nfs/dbraw/zinc/62/91/17/1363629117.db2.gz MIBUOMOSFFLPKQ-TVPLGVNVSA-N 2 1 349.563 3.124 20 0 EGADMP CC1CC(C[NH+]2CC(C)(C)CC[C@H]2CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001099110938 1363629120 /nfs/dbraw/zinc/62/91/20/1363629120.db2.gz MIBUOMOSFFLPKQ-TVPLGVNVSA-N 2 1 349.563 3.124 20 0 EGADMP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099139577 1363648975 /nfs/dbraw/zinc/64/89/75/1363648975.db2.gz CAAOEEAPIKJQDB-IPLHWJFFSA-N 2 1 346.519 3.155 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099139577 1363648978 /nfs/dbraw/zinc/64/89/78/1363648978.db2.gz CAAOEEAPIKJQDB-IPLHWJFFSA-N 2 1 346.519 3.155 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1=CCCCC1 ZINC001099198862 1363687652 /nfs/dbraw/zinc/68/76/52/1363687652.db2.gz GRQIZDYUQFCZNJ-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001099199906 1363689064 /nfs/dbraw/zinc/68/90/64/1363689064.db2.gz RPSLAEGHHZSGQY-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCF)[NH+](CC)CC ZINC001099228883 1363701626 /nfs/dbraw/zinc/70/16/26/1363701626.db2.gz CLROUXDCTLSRBB-SJORKVTESA-N 2 1 343.531 3.073 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CCCC2)C1 ZINC001099240514 1363709502 /nfs/dbraw/zinc/70/95/02/1363709502.db2.gz RYBBZDWCJJKHFM-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC2CCCC2)C1 ZINC001099240514 1363709503 /nfs/dbraw/zinc/70/95/03/1363709503.db2.gz RYBBZDWCJJKHFM-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC2CCCC2)C1 ZINC001099240514 1363709507 /nfs/dbraw/zinc/70/95/07/1363709507.db2.gz RYBBZDWCJJKHFM-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1=CCCCC1 ZINC001099276095 1363727122 /nfs/dbraw/zinc/72/71/22/1363727122.db2.gz NGJHGINIPCKYBR-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099309212 1363742458 /nfs/dbraw/zinc/74/24/58/1363742458.db2.gz BFFALZOWOWFBDU-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001099309212 1363742462 /nfs/dbraw/zinc/74/24/62/1363742462.db2.gz BFFALZOWOWFBDU-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001099309212 1363742463 /nfs/dbraw/zinc/74/24/63/1363742463.db2.gz BFFALZOWOWFBDU-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310905 1363743781 /nfs/dbraw/zinc/74/37/81/1363743781.db2.gz VTWKPJPEPLGDDW-MSOLQXFVSA-N 2 1 339.568 3.371 20 0 EGADMP CCC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001099334713 1363755936 /nfs/dbraw/zinc/75/59/36/1363755936.db2.gz MDDRRJSXCMNSGZ-AWTIPJNISA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001099334713 1363755937 /nfs/dbraw/zinc/75/59/37/1363755937.db2.gz MDDRRJSXCMNSGZ-AWTIPJNISA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001099334713 1363755939 /nfs/dbraw/zinc/75/59/39/1363755939.db2.gz MDDRRJSXCMNSGZ-AWTIPJNISA-N 2 1 349.563 3.291 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C ZINC001099340537 1363760482 /nfs/dbraw/zinc/76/04/82/1363760482.db2.gz UMOZHFRRMXQOLL-KRWDZBQOSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C ZINC001099340537 1363760485 /nfs/dbraw/zinc/76/04/85/1363760485.db2.gz UMOZHFRRMXQOLL-KRWDZBQOSA-N 2 1 348.535 3.235 20 0 EGADMP CCCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099340317 1363760608 /nfs/dbraw/zinc/76/06/08/1363760608.db2.gz RLSAMJAWGGJGSU-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)(C)CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001100406007 1364104133 /nfs/dbraw/zinc/10/41/33/1364104133.db2.gz XJHGUEXELFKCBV-JCYILVPMSA-N 2 1 346.519 3.071 20 0 EGADMP CCCCCC[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001100405877 1364104284 /nfs/dbraw/zinc/10/42/84/1364104284.db2.gz QNVJPTSALDYGEP-CTWPCTMYSA-N 2 1 337.552 3.314 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001100457270 1364120736 /nfs/dbraw/zinc/12/07/36/1364120736.db2.gz XCMUTTGFMGJRFL-MUYFXNHWSA-N 2 1 345.531 3.271 20 0 EGADMP CC(C)CCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001100471101 1364126728 /nfs/dbraw/zinc/12/67/28/1364126728.db2.gz OVWBHLQMBXCAFE-CTWPCTMYSA-N 2 1 337.552 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001100900289 1364321601 /nfs/dbraw/zinc/32/16/01/1364321601.db2.gz ZHXAQXRVUCLOGY-GTPINHCMSA-N 2 1 349.494 3.103 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101230762 1364476390 /nfs/dbraw/zinc/47/63/90/1364476390.db2.gz IGGQKDVHICOCES-SBHAEUEKSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001101230762 1364476393 /nfs/dbraw/zinc/47/63/93/1364476393.db2.gz IGGQKDVHICOCES-SBHAEUEKSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001101230762 1364476397 /nfs/dbraw/zinc/47/63/97/1364476397.db2.gz IGGQKDVHICOCES-SBHAEUEKSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101320752 1364508515 /nfs/dbraw/zinc/50/85/15/1364508515.db2.gz WRVGPXDRPRANHJ-NQIIRXRSSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC3CCCCCC3)C[C@@]2(C)C1 ZINC001101418304 1364553648 /nfs/dbraw/zinc/55/36/48/1364553648.db2.gz LEPYDZFXKRUFHI-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC3CCCCCC3)C[C@@]2(C)C1 ZINC001101418304 1364553651 /nfs/dbraw/zinc/55/36/51/1364553651.db2.gz LEPYDZFXKRUFHI-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC3CCCCCC3)C[C@@]2(C)C1 ZINC001101418304 1364553653 /nfs/dbraw/zinc/55/36/53/1364553653.db2.gz LEPYDZFXKRUFHI-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464456 1364573236 /nfs/dbraw/zinc/57/32/36/1364573236.db2.gz JNGLLPAHFFQSLR-SBHAEUEKSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001101547454 1364611475 /nfs/dbraw/zinc/61/14/75/1364611475.db2.gz BJBWQQZVBWMQLL-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C(C)(C)C[NH2+]CCC2CC2)CC1 ZINC001101573728 1364628481 /nfs/dbraw/zinc/62/84/81/1364628481.db2.gz AHZNHCMYHKRFMN-QGZVFWFLSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001101582259 1364634980 /nfs/dbraw/zinc/63/49/80/1364634980.db2.gz HDAKDWFJULBWPU-UHFFFAOYSA-N 2 1 348.535 3.236 20 0 EGADMP CC/C=C/CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001101594650 1364645649 /nfs/dbraw/zinc/64/56/49/1364645649.db2.gz JDMKWCFKRGCTNC-DKFQHHCZSA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC001102190667 1364924655 /nfs/dbraw/zinc/92/46/55/1364924655.db2.gz DVVKOGCQRBIWOI-PWBPZBFBSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520496 1365097012 /nfs/dbraw/zinc/09/70/12/1365097012.db2.gz MWQBQESJJKONIG-GUDVDZBRSA-N 2 1 339.568 3.085 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@H](C)c2cccc(C)c2)C[C@H]1C ZINC001102525596 1365099289 /nfs/dbraw/zinc/09/92/89/1365099289.db2.gz KKLMSWIZWFAIMS-QWFCFKBJSA-N 2 1 345.531 3.082 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)c2cccc(C)c2)C[C@H]1C ZINC001102525596 1365099293 /nfs/dbraw/zinc/09/92/93/1365099293.db2.gz KKLMSWIZWFAIMS-QWFCFKBJSA-N 2 1 345.531 3.082 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)c2cccc(C)c2)C[C@H]1C ZINC001102525596 1365099295 /nfs/dbraw/zinc/09/92/95/1365099295.db2.gz KKLMSWIZWFAIMS-QWFCFKBJSA-N 2 1 345.531 3.082 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001324661724 1387722310 /nfs/dbraw/zinc/72/23/10/1387722310.db2.gz OWROZVAGXIXBDS-QUCCMNQESA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001324661724 1387722312 /nfs/dbraw/zinc/72/23/12/1387722312.db2.gz OWROZVAGXIXBDS-QUCCMNQESA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001324661724 1387722316 /nfs/dbraw/zinc/72/23/16/1387722316.db2.gz OWROZVAGXIXBDS-QUCCMNQESA-N 2 1 331.504 3.060 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001103086630 1365374112 /nfs/dbraw/zinc/37/41/12/1365374112.db2.gz LDQLNNMFZRGICB-KURKYZTESA-N 2 1 346.519 3.025 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001103086630 1365374116 /nfs/dbraw/zinc/37/41/16/1365374116.db2.gz LDQLNNMFZRGICB-KURKYZTESA-N 2 1 346.519 3.025 20 0 EGADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C)[NH+](C)C ZINC001103407767 1365542390 /nfs/dbraw/zinc/54/23/90/1365542390.db2.gz SIGGGUYGDUKENG-MISYRCLQSA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438705 1365560876 /nfs/dbraw/zinc/56/08/76/1365560876.db2.gz XRGDNJHUIAALCL-PWBPZBFBSA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001103438705 1365560878 /nfs/dbraw/zinc/56/08/78/1365560878.db2.gz XRGDNJHUIAALCL-PWBPZBFBSA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001103438705 1365560880 /nfs/dbraw/zinc/56/08/80/1365560880.db2.gz XRGDNJHUIAALCL-PWBPZBFBSA-N 2 1 349.563 3.149 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCC)C[C@H]1C ZINC001103631540 1365690225 /nfs/dbraw/zinc/69/02/25/1365690225.db2.gz SCTFCSPIROEVEB-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCC)C[C@H]1C ZINC001103631540 1365690229 /nfs/dbraw/zinc/69/02/29/1365690229.db2.gz SCTFCSPIROEVEB-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCC)C[C@H]1C ZINC001103631540 1365690231 /nfs/dbraw/zinc/69/02/31/1365690231.db2.gz SCTFCSPIROEVEB-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103654937 1365705703 /nfs/dbraw/zinc/70/57/03/1365705703.db2.gz IUROJFAOCAMSNO-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1CCNC(=O)CCC[NH+]1CCCCC1 ZINC001103732806 1365754372 /nfs/dbraw/zinc/75/43/72/1365754372.db2.gz VXUKUBMAGJUWKJ-UYAOXDASSA-N 2 1 349.563 3.127 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1 ZINC001103751856 1365763756 /nfs/dbraw/zinc/76/37/56/1365763756.db2.gz VEXMMZDUWCIKDH-UYAOXDASSA-N 2 1 349.563 3.127 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755518 1365765965 /nfs/dbraw/zinc/76/59/65/1365765965.db2.gz KDNRGFMIQKWHIW-TYFAACHXSA-N 2 1 337.552 3.147 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001103755518 1365765967 /nfs/dbraw/zinc/76/59/67/1365765967.db2.gz KDNRGFMIQKWHIW-TYFAACHXSA-N 2 1 337.552 3.147 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001103755518 1365765972 /nfs/dbraw/zinc/76/59/72/1365765972.db2.gz KDNRGFMIQKWHIW-TYFAACHXSA-N 2 1 337.552 3.147 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]CC1=CCCCC1 ZINC001104353834 1365983079 /nfs/dbraw/zinc/98/30/79/1365983079.db2.gz JBFOTZAYELHXIF-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP CCCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394307 1366443382 /nfs/dbraw/zinc/44/33/82/1366443382.db2.gz TWYANZAURLADIS-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106727921 1366782477 /nfs/dbraw/zinc/78/24/77/1366782477.db2.gz ZVWHXGYVTDGTKQ-QZTJIDSGSA-N 2 1 348.535 3.271 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC=C(C)C)[C@H](C)C1 ZINC001106775462 1366794693 /nfs/dbraw/zinc/79/46/93/1366794693.db2.gz HUPNADSNRKXMQK-RTBURBONSA-N 2 1 337.552 3.149 20 0 EGADMP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001107039008 1366862955 /nfs/dbraw/zinc/86/29/55/1366862955.db2.gz LBVGDRMYHOGROR-MISYRCLQSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107450139 1366968187 /nfs/dbraw/zinc/96/81/87/1366968187.db2.gz FGPXUASCFJNERT-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001107450139 1366968190 /nfs/dbraw/zinc/96/81/90/1366968190.db2.gz FGPXUASCFJNERT-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001107450139 1366968193 /nfs/dbraw/zinc/96/81/93/1366968193.db2.gz FGPXUASCFJNERT-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189311835 1366985358 /nfs/dbraw/zinc/98/53/58/1366985358.db2.gz NIKVKGCJGDSJFY-XLGQSGQMSA-N 2 1 347.547 3.140 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001107518355 1367015114 /nfs/dbraw/zinc/01/51/14/1367015114.db2.gz RZCRNLKTISBTGB-CTAFRAEOSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001107518355 1367015119 /nfs/dbraw/zinc/01/51/19/1367015119.db2.gz RZCRNLKTISBTGB-CTAFRAEOSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001107518355 1367015125 /nfs/dbraw/zinc/01/51/25/1367015125.db2.gz RZCRNLKTISBTGB-CTAFRAEOSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107547409 1367036835 /nfs/dbraw/zinc/03/68/35/1367036835.db2.gz LVAYVBPYQOHMCT-QWFCFKBJSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107547409 1367036839 /nfs/dbraw/zinc/03/68/39/1367036839.db2.gz LVAYVBPYQOHMCT-QWFCFKBJSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107547409 1367036844 /nfs/dbraw/zinc/03/68/44/1367036844.db2.gz LVAYVBPYQOHMCT-QWFCFKBJSA-N 2 1 335.536 3.022 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109399853 1367104177 /nfs/dbraw/zinc/10/41/77/1367104177.db2.gz ZMAQAPRFWAKRRK-CKZPPYNSSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109399853 1367104179 /nfs/dbraw/zinc/10/41/79/1367104179.db2.gz ZMAQAPRFWAKRRK-CKZPPYNSSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001109399853 1367104182 /nfs/dbraw/zinc/10/41/82/1367104182.db2.gz ZMAQAPRFWAKRRK-CKZPPYNSSA-N 2 1 347.547 3.327 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109399517 1367104189 /nfs/dbraw/zinc/10/41/89/1367104189.db2.gz MRHPNRFZSDYUPI-ZRNYENFQSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001109399517 1367104192 /nfs/dbraw/zinc/10/41/92/1367104192.db2.gz MRHPNRFZSDYUPI-ZRNYENFQSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001109399517 1367104194 /nfs/dbraw/zinc/10/41/94/1367104194.db2.gz MRHPNRFZSDYUPI-ZRNYENFQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190174611 1367190405 /nfs/dbraw/zinc/19/04/05/1367190405.db2.gz GPVKEPXVAPCNEZ-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190174611 1367190409 /nfs/dbraw/zinc/19/04/09/1367190409.db2.gz GPVKEPXVAPCNEZ-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190174611 1367190413 /nfs/dbraw/zinc/19/04/13/1367190413.db2.gz GPVKEPXVAPCNEZ-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CCCC(C)(C)C)C2)CC[N@H+]1C ZINC001190248152 1367208198 /nfs/dbraw/zinc/20/81/98/1367208198.db2.gz XMJJVNZQYSYYCP-OKZBNKHCSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCCC(C)(C)C)C2)CC[NH+]1C ZINC001190248152 1367208203 /nfs/dbraw/zinc/20/82/03/1367208203.db2.gz XMJJVNZQYSYYCP-OKZBNKHCSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCCC(C)(C)C)C2)CC[NH+]1C ZINC001190248152 1367208211 /nfs/dbraw/zinc/20/82/11/1367208211.db2.gz XMJJVNZQYSYYCP-OKZBNKHCSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+](CCC3CC3)C2)CC1 ZINC001324971976 1387860457 /nfs/dbraw/zinc/86/04/57/1387860457.db2.gz MNEVBHYXQWPUHA-OAQYLSRUSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190325093 1367227267 /nfs/dbraw/zinc/22/72/67/1367227267.db2.gz QNDXAVQQAOVWLB-IKLBINMZSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001190443159 1367267148 /nfs/dbraw/zinc/26/71/48/1367267148.db2.gz FITHUFZPVQGFFT-IRXDYDNUSA-N 2 1 343.531 3.025 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724532 1367293531 /nfs/dbraw/zinc/29/35/31/1367293531.db2.gz XNKJKEGHYFHCSQ-YPMANSSXSA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109724532 1367293535 /nfs/dbraw/zinc/29/35/35/1367293535.db2.gz XNKJKEGHYFHCSQ-YPMANSSXSA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109724532 1367293538 /nfs/dbraw/zinc/29/35/38/1367293538.db2.gz XNKJKEGHYFHCSQ-YPMANSSXSA-N 2 1 349.563 3.432 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109728880 1367294576 /nfs/dbraw/zinc/29/45/76/1367294576.db2.gz IEEMTZZKQJQGCC-SQNIBIBYSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109728880 1367294581 /nfs/dbraw/zinc/29/45/81/1367294581.db2.gz IEEMTZZKQJQGCC-SQNIBIBYSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109728880 1367294585 /nfs/dbraw/zinc/29/45/85/1367294585.db2.gz IEEMTZZKQJQGCC-SQNIBIBYSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC2(CC2)CC1)[NH+](C)C ZINC001109733600 1367295026 /nfs/dbraw/zinc/29/50/26/1367295026.db2.gz XRIWTWSSOQBWTM-XWSJACJDSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH+](C)CCCC2CCC2)C1 ZINC001190653102 1367317183 /nfs/dbraw/zinc/31/71/83/1367317183.db2.gz BYWFUCGJOAKIJP-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1 ZINC001190653102 1367317188 /nfs/dbraw/zinc/31/71/88/1367317188.db2.gz BYWFUCGJOAKIJP-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001190653102 1367317195 /nfs/dbraw/zinc/31/71/95/1367317195.db2.gz BYWFUCGJOAKIJP-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798576 1367328677 /nfs/dbraw/zinc/32/86/77/1367328677.db2.gz JDLFKNLBJRRMIZ-PUBDRRPBSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001109798576 1367328681 /nfs/dbraw/zinc/32/86/81/1367328681.db2.gz JDLFKNLBJRRMIZ-PUBDRRPBSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001109798576 1367328686 /nfs/dbraw/zinc/32/86/86/1367328686.db2.gz JDLFKNLBJRRMIZ-PUBDRRPBSA-N 2 1 347.547 3.327 20 0 EGADMP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109800583 1367329245 /nfs/dbraw/zinc/32/92/45/1367329245.db2.gz HDPSXKJFFIRIQI-SQNIBIBYSA-N 2 1 344.503 3.084 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109800583 1367329251 /nfs/dbraw/zinc/32/92/51/1367329251.db2.gz HDPSXKJFFIRIQI-SQNIBIBYSA-N 2 1 344.503 3.084 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109879643 1367378865 /nfs/dbraw/zinc/37/88/65/1367378865.db2.gz FGGDKTJZJLGHCC-UOUNDWCUSA-N 2 1 347.547 3.186 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001190997712 1367399757 /nfs/dbraw/zinc/39/97/57/1367399757.db2.gz YAFULUHGDKWDNT-OALUTQOASA-N 2 1 345.531 3.401 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001190997712 1367399761 /nfs/dbraw/zinc/39/97/61/1367399761.db2.gz YAFULUHGDKWDNT-OALUTQOASA-N 2 1 345.531 3.401 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001190997712 1367399768 /nfs/dbraw/zinc/39/97/68/1367399768.db2.gz YAFULUHGDKWDNT-OALUTQOASA-N 2 1 345.531 3.401 20 0 EGADMP C[N@@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191137247 1367430647 /nfs/dbraw/zinc/43/06/47/1367430647.db2.gz VKJFDZMNMISMGX-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1=CCCCC1 ZINC001110007090 1367455353 /nfs/dbraw/zinc/45/53/53/1367455353.db2.gz IBRRMSOSCSPEFF-AABGKKOBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191351585 1367481797 /nfs/dbraw/zinc/48/17/97/1367481797.db2.gz JGOSKZVMGQMICN-LPHOPBHVSA-N 2 1 342.487 3.163 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191352062 1367482815 /nfs/dbraw/zinc/48/28/15/1367482815.db2.gz PMZLSMVLIKRCRL-ZMBJWTFHSA-N 2 1 340.471 3.227 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191507041 1367517038 /nfs/dbraw/zinc/51/70/38/1367517038.db2.gz GVFINDSZGZDFMH-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191543785 1367525317 /nfs/dbraw/zinc/52/53/17/1367525317.db2.gz SKOPKXHGOGHLPB-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191550313 1367526300 /nfs/dbraw/zinc/52/63/00/1367526300.db2.gz BKUJURRKOGZPEU-PKOBYXMFSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@H](C)C[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001191550313 1367526307 /nfs/dbraw/zinc/52/63/07/1367526307.db2.gz BKUJURRKOGZPEU-PKOBYXMFSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@H](C)C[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001191550313 1367526313 /nfs/dbraw/zinc/52/63/13/1367526313.db2.gz BKUJURRKOGZPEU-PKOBYXMFSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001108764918 1367580568 /nfs/dbraw/zinc/58/05/68/1367580568.db2.gz DLBBURQIJOKZSK-BZSNNMDCSA-N 2 1 349.563 3.124 20 0 EGADMP CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001108778351 1367590863 /nfs/dbraw/zinc/59/08/63/1367590863.db2.gz PCCYWGZHWGVRPJ-FHWLQOOXSA-N 2 1 346.519 3.131 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045254 1367673641 /nfs/dbraw/zinc/67/36/41/1367673641.db2.gz BCLLVMTWSWREDI-RBUKOAKNSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCC2CCCC2)C1)[NH+](CC)CC ZINC001192325577 1367752380 /nfs/dbraw/zinc/75/23/80/1367752380.db2.gz LWSADZSFERGBSK-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCC2)C1)[NH+](CC)CC ZINC001192325573 1367753072 /nfs/dbraw/zinc/75/30/72/1367753072.db2.gz LWSADZSFERGBSK-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192327021 1367753688 /nfs/dbraw/zinc/75/36/88/1367753688.db2.gz WBXFOBZBPZGGOY-ROUUACIJSA-N 2 1 325.541 3.220 20 0 EGADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccccn2)CC1)CC(C)C ZINC001192489089 1367794475 /nfs/dbraw/zinc/79/44/75/1367794475.db2.gz AHYGAUMNJFPXJY-UHFFFAOYSA-N 2 1 346.519 3.100 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccccn2)CC1)CC(C)C ZINC001192489089 1367794478 /nfs/dbraw/zinc/79/44/78/1367794478.db2.gz AHYGAUMNJFPXJY-UHFFFAOYSA-N 2 1 346.519 3.100 20 0 EGADMP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192603949 1367831023 /nfs/dbraw/zinc/83/10/23/1367831023.db2.gz HEZPUJLUQOADFT-QGZVFWFLSA-N 2 1 334.508 3.120 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192603949 1367831028 /nfs/dbraw/zinc/83/10/28/1367831028.db2.gz HEZPUJLUQOADFT-QGZVFWFLSA-N 2 1 334.508 3.120 20 0 EGADMP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641002 1367839026 /nfs/dbraw/zinc/83/90/26/1367839026.db2.gz HEDOYOLTVSJSNI-GOSISDBHSA-N 2 1 348.535 3.366 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641002 1367839029 /nfs/dbraw/zinc/83/90/29/1367839029.db2.gz HEDOYOLTVSJSNI-GOSISDBHSA-N 2 1 348.535 3.366 20 0 EGADMP CC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641093 1367839721 /nfs/dbraw/zinc/83/97/21/1367839721.db2.gz IMRQJTVYUFIIBU-DKFQHHCZSA-N 2 1 346.519 3.286 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641093 1367839727 /nfs/dbraw/zinc/83/97/27/1367839727.db2.gz IMRQJTVYUFIIBU-DKFQHHCZSA-N 2 1 346.519 3.286 20 0 EGADMP C[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001192654261 1367843430 /nfs/dbraw/zinc/84/34/30/1367843430.db2.gz DYFTVUJQJFPHTC-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001110576479 1367843807 /nfs/dbraw/zinc/84/38/07/1367843807.db2.gz KWYQWNJVOVFZDO-ZRSRNVLSSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001110576479 1367843814 /nfs/dbraw/zinc/84/38/14/1367843814.db2.gz KWYQWNJVOVFZDO-ZRSRNVLSSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001110576479 1367843820 /nfs/dbraw/zinc/84/38/20/1367843820.db2.gz KWYQWNJVOVFZDO-ZRSRNVLSSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001110578598 1367845508 /nfs/dbraw/zinc/84/55/08/1367845508.db2.gz OQDLLRFGHSFOLM-MLHJIOFPSA-N 2 1 346.519 3.308 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001110578598 1367845512 /nfs/dbraw/zinc/84/55/12/1367845512.db2.gz OQDLLRFGHSFOLM-MLHJIOFPSA-N 2 1 346.519 3.308 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)C ZINC001110578577 1367845670 /nfs/dbraw/zinc/84/56/70/1367845670.db2.gz NMDKYHAYPKFEFR-MLHJIOFPSA-N 2 1 346.519 3.164 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001110578577 1367845673 /nfs/dbraw/zinc/84/56/73/1367845673.db2.gz NMDKYHAYPKFEFR-MLHJIOFPSA-N 2 1 346.519 3.164 20 0 EGADMP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001110612542 1367872366 /nfs/dbraw/zinc/87/23/66/1367872366.db2.gz GVLSMEREVWKAJV-ZACQAIPSSA-N 2 1 349.544 3.335 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001110612542 1367872369 /nfs/dbraw/zinc/87/23/69/1367872369.db2.gz GVLSMEREVWKAJV-ZACQAIPSSA-N 2 1 349.544 3.335 20 0 EGADMP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192857515 1367889668 /nfs/dbraw/zinc/88/96/68/1367889668.db2.gz JNCUJPUPZXKYQD-GOSISDBHSA-N 2 1 334.508 3.085 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192857515 1367889675 /nfs/dbraw/zinc/88/96/75/1367889675.db2.gz JNCUJPUPZXKYQD-GOSISDBHSA-N 2 1 334.508 3.085 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1)C(C)C ZINC001192917650 1367904357 /nfs/dbraw/zinc/90/43/57/1367904357.db2.gz PVNTUKRHCANMRJ-QZTJIDSGSA-N 2 1 343.531 3.025 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948644 1367909689 /nfs/dbraw/zinc/90/96/89/1367909689.db2.gz UUWUUVZOQRBUBA-OALUTQOASA-N 2 1 349.494 3.151 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001110683184 1367925643 /nfs/dbraw/zinc/92/56/43/1367925643.db2.gz URRVKVRZWJSQMU-MKXGPGLRSA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001110683184 1367925645 /nfs/dbraw/zinc/92/56/45/1367925645.db2.gz URRVKVRZWJSQMU-MKXGPGLRSA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001110683184 1367925649 /nfs/dbraw/zinc/92/56/49/1367925649.db2.gz URRVKVRZWJSQMU-MKXGPGLRSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001110684581 1367926123 /nfs/dbraw/zinc/92/61/23/1367926123.db2.gz PTWJVRZWRPAHAL-MANSERQUSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001110684581 1367926128 /nfs/dbraw/zinc/92/61/28/1367926128.db2.gz PTWJVRZWRPAHAL-MANSERQUSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001110684581 1367926134 /nfs/dbraw/zinc/92/61/34/1367926134.db2.gz PTWJVRZWRPAHAL-MANSERQUSA-N 2 1 335.536 3.019 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110738901 1367955618 /nfs/dbraw/zinc/95/56/18/1367955618.db2.gz YYAQVUNETYOAGA-ZACQAIPSSA-N 2 1 337.552 3.265 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001110738901 1367955619 /nfs/dbraw/zinc/95/56/19/1367955619.db2.gz YYAQVUNETYOAGA-ZACQAIPSSA-N 2 1 337.552 3.265 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001110738901 1367955620 /nfs/dbraw/zinc/95/56/20/1367955620.db2.gz YYAQVUNETYOAGA-ZACQAIPSSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771653 1367971966 /nfs/dbraw/zinc/97/19/66/1367971966.db2.gz YWTZEBKDGCNHDY-QRQLOZEOSA-N 2 1 340.471 3.106 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C(C)C)cc2)C1 ZINC001193291268 1367991179 /nfs/dbraw/zinc/99/11/79/1367991179.db2.gz HBQKUVHSRQZRPQ-HXUWFJFHSA-N 2 1 345.531 3.185 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C(C)C)cc2)C1 ZINC001193291268 1367991184 /nfs/dbraw/zinc/99/11/84/1367991184.db2.gz HBQKUVHSRQZRPQ-HXUWFJFHSA-N 2 1 345.531 3.185 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C(C)C)cc2)C1 ZINC001193291268 1367991190 /nfs/dbraw/zinc/99/11/90/1367991190.db2.gz HBQKUVHSRQZRPQ-HXUWFJFHSA-N 2 1 345.531 3.185 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424909 1368026520 /nfs/dbraw/zinc/02/65/20/1368026520.db2.gz RDYDCGMVACXXDD-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424909 1368026525 /nfs/dbraw/zinc/02/65/25/1368026525.db2.gz RDYDCGMVACXXDD-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193424909 1368026530 /nfs/dbraw/zinc/02/65/30/1368026530.db2.gz RDYDCGMVACXXDD-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193561147 1368062670 /nfs/dbraw/zinc/06/26/70/1368062670.db2.gz WOTNABXSXOSFAA-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cc1C ZINC001193569340 1368063528 /nfs/dbraw/zinc/06/35/28/1368063528.db2.gz AYMUXJXYPZVJJC-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571550 1368064246 /nfs/dbraw/zinc/06/42/46/1368064246.db2.gz TZJBECUZECLDJI-OALUTQOASA-N 2 1 345.531 3.321 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC001193569805 1368064766 /nfs/dbraw/zinc/06/47/66/1368064766.db2.gz DQJBDQCQWXIGMM-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001193612170 1368074791 /nfs/dbraw/zinc/07/47/91/1368074791.db2.gz ZZUNMRPXUQSVHZ-ICSRJNTNSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001193612170 1368074797 /nfs/dbraw/zinc/07/47/97/1368074797.db2.gz ZZUNMRPXUQSVHZ-ICSRJNTNSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001193612170 1368074801 /nfs/dbraw/zinc/07/48/01/1368074801.db2.gz ZZUNMRPXUQSVHZ-ICSRJNTNSA-N 2 1 345.531 3.321 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979969 1368132689 /nfs/dbraw/zinc/13/26/89/1368132689.db2.gz KRRIGVNNPZDBIL-PILAGYSTSA-N 2 1 349.906 3.074 20 0 EGADMP COC(=O)[C@H]1CCCC[C@H]1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC001193872447 1368135614 /nfs/dbraw/zinc/13/56/14/1368135614.db2.gz NPUVOHCAQZRFSX-WMZOPIPTSA-N 2 1 346.471 3.213 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110994111 1368138248 /nfs/dbraw/zinc/13/82/48/1368138248.db2.gz OTEUBKTVYFEMJH-IJNPZQNSSA-N 2 1 335.536 3.041 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001111021424 1368145039 /nfs/dbraw/zinc/14/50/39/1368145039.db2.gz TVDPWELPIPIXPV-TVFCKZIOSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001111021424 1368145040 /nfs/dbraw/zinc/14/50/40/1368145040.db2.gz TVDPWELPIPIXPV-TVFCKZIOSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001111021424 1368145044 /nfs/dbraw/zinc/14/50/44/1368145044.db2.gz TVDPWELPIPIXPV-TVFCKZIOSA-N 2 1 335.536 3.019 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111025229 1368145231 /nfs/dbraw/zinc/14/52/31/1368145231.db2.gz SEQUMPWVIFARFY-IWOQZAADSA-N 2 1 347.547 3.186 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001111025229 1368145236 /nfs/dbraw/zinc/14/52/36/1368145236.db2.gz SEQUMPWVIFARFY-IWOQZAADSA-N 2 1 347.547 3.186 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001111025229 1368145239 /nfs/dbraw/zinc/14/52/39/1368145239.db2.gz SEQUMPWVIFARFY-IWOQZAADSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001111078463 1368153856 /nfs/dbraw/zinc/15/38/56/1368153856.db2.gz ZUEJXVDMLFVCFA-KURKYZTESA-N 2 1 346.519 3.164 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001111078463 1368153858 /nfs/dbraw/zinc/15/38/58/1368153858.db2.gz ZUEJXVDMLFVCFA-KURKYZTESA-N 2 1 346.519 3.164 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194229442 1368213347 /nfs/dbraw/zinc/21/33/47/1368213347.db2.gz XJPJUEAIPMYEDM-ICSRJNTNSA-N 2 1 343.515 3.156 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001194245525 1368216129 /nfs/dbraw/zinc/21/61/29/1368216129.db2.gz BTSIPAILXSIIMJ-GOSISDBHSA-N 2 1 349.494 3.034 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194274439 1368221501 /nfs/dbraw/zinc/22/15/01/1368221501.db2.gz HULUXNHTDDTRSH-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+](C)[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001194293777 1368225158 /nfs/dbraw/zinc/22/51/58/1368225158.db2.gz JAAMSMWVPYQCDK-RTBURBONSA-N 2 1 345.531 3.237 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001194293777 1368225161 /nfs/dbraw/zinc/22/51/61/1368225161.db2.gz JAAMSMWVPYQCDK-RTBURBONSA-N 2 1 345.531 3.237 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+](C)[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001194293777 1368225164 /nfs/dbraw/zinc/22/51/64/1368225164.db2.gz JAAMSMWVPYQCDK-RTBURBONSA-N 2 1 345.531 3.237 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)CC)C2 ZINC001111270523 1368236920 /nfs/dbraw/zinc/23/69/20/1368236920.db2.gz VGOXZDSAECMHPQ-ZRNYENFQSA-N 2 1 343.515 3.201 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)CC)C2 ZINC001111270523 1368236926 /nfs/dbraw/zinc/23/69/26/1368236926.db2.gz VGOXZDSAECMHPQ-ZRNYENFQSA-N 2 1 343.515 3.201 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001111270523 1368236929 /nfs/dbraw/zinc/23/69/29/1368236929.db2.gz VGOXZDSAECMHPQ-ZRNYENFQSA-N 2 1 343.515 3.201 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001111270523 1368236935 /nfs/dbraw/zinc/23/69/35/1368236935.db2.gz VGOXZDSAECMHPQ-ZRNYENFQSA-N 2 1 343.515 3.201 20 0 EGADMP CCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194409874 1368255245 /nfs/dbraw/zinc/25/52/45/1368255245.db2.gz QXKVWTYXARXFIA-MRXNPFEDSA-N 2 1 335.492 3.068 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001111466556 1368310851 /nfs/dbraw/zinc/31/08/51/1368310851.db2.gz ZQXJRZNERAVDNP-QRVBRYPASA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001111466556 1368310854 /nfs/dbraw/zinc/31/08/54/1368310854.db2.gz ZQXJRZNERAVDNP-QRVBRYPASA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001111466556 1368310860 /nfs/dbraw/zinc/31/08/60/1368310860.db2.gz ZQXJRZNERAVDNP-QRVBRYPASA-N 2 1 335.536 3.019 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001111463412 1368310954 /nfs/dbraw/zinc/31/09/54/1368310954.db2.gz PWSUFGRQCOEOOZ-YRXWBPOGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001111463412 1368310956 /nfs/dbraw/zinc/31/09/56/1368310956.db2.gz PWSUFGRQCOEOOZ-YRXWBPOGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001111463412 1368310960 /nfs/dbraw/zinc/31/09/60/1368310960.db2.gz PWSUFGRQCOEOOZ-YRXWBPOGSA-N 2 1 349.563 3.409 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467441 1368311145 /nfs/dbraw/zinc/31/11/45/1368311145.db2.gz JDDUXVJCOBUNQP-CFXMGXPISA-N 2 1 347.547 3.185 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463570 1368312315 /nfs/dbraw/zinc/31/23/15/1368312315.db2.gz YYUGPAKFXGSIEM-YSTOQKLRSA-N 2 1 347.547 3.185 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](CC(C)(C)C)C1)c1ccccc1 ZINC001195214463 1368402773 /nfs/dbraw/zinc/40/27/73/1368402773.db2.gz WVWDZRPISAJWFZ-HKUYNNGSSA-N 2 1 345.531 3.164 20 0 EGADMP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163255 1368559769 /nfs/dbraw/zinc/55/97/69/1368559769.db2.gz KZIXWGRTRMSCGB-PYTPGESOSA-N 2 1 344.503 3.041 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163255 1368559775 /nfs/dbraw/zinc/55/97/75/1368559775.db2.gz KZIXWGRTRMSCGB-PYTPGESOSA-N 2 1 344.503 3.041 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196620035 1368651187 /nfs/dbraw/zinc/65/11/87/1368651187.db2.gz SKNQONIGRRJYLG-UYAOXDASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)c1ccc(C(F)(F)F)cc1 ZINC001197005114 1368729423 /nfs/dbraw/zinc/72/94/23/1368729423.db2.gz YEVRZNBPTCHPQP-IRXDYDNUSA-N 2 1 344.421 3.329 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)c1ccc(C(F)(F)F)cc1 ZINC001197005114 1368729426 /nfs/dbraw/zinc/72/94/26/1368729426.db2.gz YEVRZNBPTCHPQP-IRXDYDNUSA-N 2 1 344.421 3.329 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]1(C)c1ccc(C(F)(F)F)cc1 ZINC001197005114 1368729428 /nfs/dbraw/zinc/72/94/28/1368729428.db2.gz YEVRZNBPTCHPQP-IRXDYDNUSA-N 2 1 344.421 3.329 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]1(C)c1ccc(C(F)(F)F)cc1 ZINC001197005114 1368729433 /nfs/dbraw/zinc/72/94/33/1368729433.db2.gz YEVRZNBPTCHPQP-IRXDYDNUSA-N 2 1 344.421 3.329 20 0 EGADMP CC[C@@H](C(=O)N1CCC[N@@H+](Cc2cccc(C)c2)CC1)[NH+](CC)CC ZINC001197133525 1368751699 /nfs/dbraw/zinc/75/16/99/1368751699.db2.gz CBPDIWUSXNYZKD-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CC(C)=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112353475 1368785018 /nfs/dbraw/zinc/78/50/18/1368785018.db2.gz KUNWFVNAHVVFOB-ZVDOUQERSA-N 2 1 347.547 3.044 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CCC[N@@H+](CC2=CCCCC2)CC1)C(C)C ZINC001197484431 1368824497 /nfs/dbraw/zinc/82/44/97/1368824497.db2.gz DHCHHXCKRXNVOJ-FQEVSTJZSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001112431227 1368846479 /nfs/dbraw/zinc/84/64/79/1368846479.db2.gz DMDGGZGSYVYDSO-ZVDOUQERSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001112529771 1368916043 /nfs/dbraw/zinc/91/60/43/1368916043.db2.gz OMPDSPWAZQPRMR-DYXWJJEUSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197886351 1368919656 /nfs/dbraw/zinc/91/96/56/1368919656.db2.gz QBWHUGUGGWVERW-LJQANCHMSA-N 2 1 345.531 3.322 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+](CC2CCC(C)CC2)CC1 ZINC001197908083 1368923211 /nfs/dbraw/zinc/92/32/11/1368923211.db2.gz SWEGWZVSIPXTII-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@H+](CC2CCC(C)CC2)CC1 ZINC001197908083 1368923214 /nfs/dbraw/zinc/92/32/14/1368923214.db2.gz SWEGWZVSIPXTII-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+](CC2CCC(C)CC2)CC1 ZINC001197908083 1368923217 /nfs/dbraw/zinc/92/32/17/1368923217.db2.gz SWEGWZVSIPXTII-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001198222226 1368983503 /nfs/dbraw/zinc/98/35/03/1368983503.db2.gz VSQWLUIKOPHYKJ-HDICACEKSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001198222226 1368983507 /nfs/dbraw/zinc/98/35/07/1368983507.db2.gz VSQWLUIKOPHYKJ-HDICACEKSA-N 2 1 337.552 3.220 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258809 1368991142 /nfs/dbraw/zinc/99/11/42/1368991142.db2.gz GQLJWZALCRCVAJ-PXDRNWIDSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258800 1368992355 /nfs/dbraw/zinc/99/23/55/1368992355.db2.gz GGIPULSZQIGPMT-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198364453 1369017424 /nfs/dbraw/zinc/01/74/24/1369017424.db2.gz UVNNHKGYHRUROR-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001112854976 1369048366 /nfs/dbraw/zinc/04/83/66/1369048366.db2.gz GFFQMHVLAUFCCJ-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP CCC(CC)[C@H](CN[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001199170629 1369187564 /nfs/dbraw/zinc/18/75/64/1369187564.db2.gz KQPSKYLOASZSHK-YYWHXJBOSA-N 2 1 331.548 3.463 20 0 EGADMP CCC(CC)[C@H](CN[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001199170629 1369187569 /nfs/dbraw/zinc/18/75/69/1369187569.db2.gz KQPSKYLOASZSHK-YYWHXJBOSA-N 2 1 331.548 3.463 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001201505524 1369558820 /nfs/dbraw/zinc/55/88/20/1369558820.db2.gz ZVNNBWQXWZZRPF-MJGOQNOKSA-N 2 1 331.504 3.183 20 0 EGADMP CCC[C@H](C)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001201544631 1369570038 /nfs/dbraw/zinc/57/00/38/1369570038.db2.gz RLCKLHZZNWQIRJ-NRDMVMEKSA-N 2 1 344.547 3.494 20 0 EGADMP CCC[C@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001201544631 1369570042 /nfs/dbraw/zinc/57/00/42/1369570042.db2.gz RLCKLHZZNWQIRJ-NRDMVMEKSA-N 2 1 344.547 3.494 20 0 EGADMP CCC[C@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001201544631 1369570046 /nfs/dbraw/zinc/57/00/46/1369570046.db2.gz RLCKLHZZNWQIRJ-NRDMVMEKSA-N 2 1 344.547 3.494 20 0 EGADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](CC4CCC4)CC3)C2)c1 ZINC001202722825 1369867052 /nfs/dbraw/zinc/86/70/52/1369867052.db2.gz WSHRXBFRBLWKRX-UHFFFAOYSA-N 2 1 344.499 3.162 20 0 EGADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](CC4CCC4)CC3)C2)c1 ZINC001202722825 1369867056 /nfs/dbraw/zinc/86/70/56/1369867056.db2.gz WSHRXBFRBLWKRX-UHFFFAOYSA-N 2 1 344.499 3.162 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001186982118 1388035403 /nfs/dbraw/zinc/03/54/03/1388035403.db2.gz XSLYZUGAXHZBKT-JVCKMAHQSA-N 2 1 335.536 3.188 20 0 EGADMP CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203044702 1369965284 /nfs/dbraw/zinc/96/52/84/1369965284.db2.gz PBLUWDIJJPYNPT-MSOLQXFVSA-N 2 1 335.536 3.068 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203100826 1369983416 /nfs/dbraw/zinc/98/34/16/1369983416.db2.gz ACVWOSOHLUHMBI-ROUUACIJSA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)C)C12CCC2 ZINC001203101746 1369983420 /nfs/dbraw/zinc/98/34/20/1369983420.db2.gz GBJBHHNVVPUTRF-SJORKVTESA-N 2 1 337.552 3.170 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203104971 1369984608 /nfs/dbraw/zinc/98/46/08/1369984608.db2.gz UPUXFOODFIVVDI-IAGOWNOFSA-N 2 1 337.552 3.170 20 0 EGADMP CC(C)C[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203231432 1370033781 /nfs/dbraw/zinc/03/37/81/1370033781.db2.gz SKHMJEJGPKCQMX-MOPGFXCFSA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC([NH2+]CC=C(C)C)CC1)c1ccccc1 ZINC001203313928 1370078609 /nfs/dbraw/zinc/07/86/09/1370078609.db2.gz WBWMDLXXTCXOBU-FQEVSTJZSA-N 2 1 343.515 3.226 20 0 EGADMP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203420941 1370118619 /nfs/dbraw/zinc/11/86/19/1370118619.db2.gz XZTXBRUCKQUBQN-ROUUACIJSA-N 2 1 349.563 3.172 20 0 EGADMP CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203419498 1370118900 /nfs/dbraw/zinc/11/89/00/1370118900.db2.gz LYALVPLIOVEMAN-QZTJIDSGSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCCC2)C12CCC2)CC(C)(C)C ZINC001203426795 1370121352 /nfs/dbraw/zinc/12/13/52/1370121352.db2.gz QPTNJEMPGWSRPG-QZTJIDSGSA-N 2 1 349.563 3.172 20 0 EGADMP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428232 1370121747 /nfs/dbraw/zinc/12/17/47/1370121747.db2.gz XFJXBUVXXACDHY-DLBZAZTESA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(CC)CC)C12CCC2 ZINC001203641769 1370198681 /nfs/dbraw/zinc/19/86/81/1370198681.db2.gz VDDJUUZGCZXEQT-MSOLQXFVSA-N 2 1 337.552 3.172 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203731416 1370239171 /nfs/dbraw/zinc/23/91/71/1370239171.db2.gz OMQMUHQYEGSYIZ-IAGOWNOFSA-N 2 1 346.519 3.035 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203791183 1370266455 /nfs/dbraw/zinc/26/64/55/1370266455.db2.gz DUWBOGYQQUBHTK-MOPGFXCFSA-N 2 1 349.563 3.314 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001203853737 1370290293 /nfs/dbraw/zinc/29/02/93/1370290293.db2.gz XNODKWXJYPGWER-QHHIFSJYSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)c1ccccc1C[NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001203925874 1370316982 /nfs/dbraw/zinc/31/69/82/1370316982.db2.gz XHJDDDSFCIOSJQ-UHFFFAOYSA-N 2 1 345.531 3.231 20 0 EGADMP CC(=O)Oc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001203950965 1370327042 /nfs/dbraw/zinc/32/70/42/1370327042.db2.gz BGAZHHZCDMNVMY-OALUTQOASA-N 2 1 330.472 3.451 20 0 EGADMP CC(=O)Oc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001203950965 1370327047 /nfs/dbraw/zinc/32/70/47/1370327047.db2.gz BGAZHHZCDMNVMY-OALUTQOASA-N 2 1 330.472 3.451 20 0 EGADMP CC(=O)Oc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001203950965 1370327051 /nfs/dbraw/zinc/32/70/51/1370327051.db2.gz BGAZHHZCDMNVMY-OALUTQOASA-N 2 1 330.472 3.451 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc[nH]1)CC2 ZINC001204006284 1370345637 /nfs/dbraw/zinc/34/56/37/1370345637.db2.gz MLWNWIOYWFHZOV-KRWDZBQOSA-N 2 1 345.512 3.332 20 0 EGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccoc3)C[C@H]21 ZINC001204243494 1370419846 /nfs/dbraw/zinc/41/98/46/1370419846.db2.gz VTNZLYCMFKZXDQ-MISYRCLQSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccoc3)C[C@H]21 ZINC001204243494 1370419848 /nfs/dbraw/zinc/41/98/48/1370419848.db2.gz VTNZLYCMFKZXDQ-MISYRCLQSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccoc3)C[C@H]21 ZINC001204243494 1370419849 /nfs/dbraw/zinc/41/98/49/1370419849.db2.gz VTNZLYCMFKZXDQ-MISYRCLQSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccoc3)C[C@H]21 ZINC001204243494 1370419851 /nfs/dbraw/zinc/41/98/51/1370419851.db2.gz VTNZLYCMFKZXDQ-MISYRCLQSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccoc3)C[C@H]21 ZINC001204243494 1370419853 /nfs/dbraw/zinc/41/98/53/1370419853.db2.gz VTNZLYCMFKZXDQ-MISYRCLQSA-N 2 1 325.456 3.407 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccoc3)C[C@H]21 ZINC001204243494 1370419856 /nfs/dbraw/zinc/41/98/56/1370419856.db2.gz VTNZLYCMFKZXDQ-MISYRCLQSA-N 2 1 325.456 3.407 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccoc3)C[C@H]21 ZINC001204243494 1370419857 /nfs/dbraw/zinc/41/98/57/1370419857.db2.gz VTNZLYCMFKZXDQ-MISYRCLQSA-N 2 1 325.456 3.407 20 0 EGADMP c1csc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccoc4)CC3)C2)c1 ZINC001204241798 1370419988 /nfs/dbraw/zinc/41/99/88/1370419988.db2.gz OOSNIEYSMKVNES-UHFFFAOYSA-N 2 1 332.469 3.208 20 0 EGADMP c1csc(C[N@H+]2CCOC3(CC[NH+](Cc4ccoc4)CC3)C2)c1 ZINC001204241798 1370419993 /nfs/dbraw/zinc/41/99/93/1370419993.db2.gz OOSNIEYSMKVNES-UHFFFAOYSA-N 2 1 332.469 3.208 20 0 EGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC001204243495 1370420174 /nfs/dbraw/zinc/42/01/74/1370420174.db2.gz VTNZLYCMFKZXDQ-YSIASYRMSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccoc3)C[C@@H]21 ZINC001204243495 1370420188 /nfs/dbraw/zinc/42/01/88/1370420188.db2.gz VTNZLYCMFKZXDQ-YSIASYRMSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccoc3)C[C@@H]21 ZINC001204243495 1370420191 /nfs/dbraw/zinc/42/01/91/1370420191.db2.gz VTNZLYCMFKZXDQ-YSIASYRMSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccoc3)C[C@@H]21 ZINC001204243495 1370420196 /nfs/dbraw/zinc/42/01/96/1370420196.db2.gz VTNZLYCMFKZXDQ-YSIASYRMSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccoc3)C[C@@H]21 ZINC001204243495 1370420198 /nfs/dbraw/zinc/42/01/98/1370420198.db2.gz VTNZLYCMFKZXDQ-YSIASYRMSA-N 2 1 325.456 3.407 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccoc3)C[C@@H]21 ZINC001204243495 1370420202 /nfs/dbraw/zinc/42/02/02/1370420202.db2.gz VTNZLYCMFKZXDQ-YSIASYRMSA-N 2 1 325.456 3.407 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC001204243495 1370420209 /nfs/dbraw/zinc/42/02/09/1370420209.db2.gz VTNZLYCMFKZXDQ-YSIASYRMSA-N 2 1 325.456 3.407 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)cc1 ZINC001204265004 1370426003 /nfs/dbraw/zinc/42/60/03/1370426003.db2.gz ZXMRMFDMJDFFNF-UYAOXDASSA-N 2 1 332.488 3.018 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](CCCC(=O)OC)Cc2ccccc2)CC1 ZINC001204288338 1370432787 /nfs/dbraw/zinc/43/27/87/1370432787.db2.gz SLTZEKIRRRAPNF-UHFFFAOYSA-N 2 1 332.488 3.174 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115450442 1370458174 /nfs/dbraw/zinc/45/81/74/1370458174.db2.gz ASOGNJUUAOPDFB-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115451022 1370459424 /nfs/dbraw/zinc/45/94/24/1370459424.db2.gz XROOXHVBKCDDLB-OOFWQKGWSA-N 2 1 335.536 3.236 20 0 EGADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)c(C)o1)C2 ZINC001204532573 1370507455 /nfs/dbraw/zinc/50/74/55/1370507455.db2.gz BADLOQJLHGOMPE-QUCCMNQESA-N 2 1 332.488 3.077 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)c(C)o1)C2 ZINC001204532573 1370507458 /nfs/dbraw/zinc/50/74/58/1370507458.db2.gz BADLOQJLHGOMPE-QUCCMNQESA-N 2 1 332.488 3.077 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(C)c(C)o1)C2 ZINC001204532573 1370507460 /nfs/dbraw/zinc/50/74/60/1370507460.db2.gz BADLOQJLHGOMPE-QUCCMNQESA-N 2 1 332.488 3.077 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(C)c(C)o1)C2 ZINC001204532573 1370507463 /nfs/dbraw/zinc/50/74/63/1370507463.db2.gz BADLOQJLHGOMPE-QUCCMNQESA-N 2 1 332.488 3.077 20 0 EGADMP CC(C)(C)[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001204604216 1370528986 /nfs/dbraw/zinc/52/89/86/1370528986.db2.gz HEKFPYYSPILQOZ-UHFFFAOYSA-N 2 1 339.483 3.176 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC3CC(C)C3)CCCCC2)CC[N@H+]1C ZINC001115545170 1370541614 /nfs/dbraw/zinc/54/16/14/1370541614.db2.gz VANKNOCNJYGTSP-WZOJCFFYSA-N 2 1 349.563 3.172 20 0 EGADMP Brc1ccc(CC[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204727663 1370556457 /nfs/dbraw/zinc/55/64/57/1370556457.db2.gz IUVCMPGFJSBLFK-UHFFFAOYSA-N 2 1 337.305 3.457 20 0 EGADMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc3cc(Br)ccc3c2)CCO1 ZINC001204756654 1370568192 /nfs/dbraw/zinc/56/81/92/1370568192.db2.gz RCUNVHOEPMLISI-KRWDZBQOSA-N 2 1 349.272 3.152 20 0 EGADMP CCCCC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579637 1370583488 /nfs/dbraw/zinc/58/34/88/1370583488.db2.gz YFNYRTCQVOJVEY-SFHVURJKSA-N 2 1 337.552 3.460 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCCC1 ZINC001115592157 1370593409 /nfs/dbraw/zinc/59/34/09/1370593409.db2.gz WPDHYXHFHHLWJT-RBUKOAKNSA-N 2 1 349.563 3.458 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115598595 1370598976 /nfs/dbraw/zinc/59/89/76/1370598976.db2.gz UQTWJQOLOHRKQY-IBGZPJMESA-N 2 1 347.547 3.380 20 0 EGADMP Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c1C ZINC001205074527 1370643249 /nfs/dbraw/zinc/64/32/49/1370643249.db2.gz ITAYMFOZVVZANU-FGZHOGPDSA-N 2 1 342.527 3.484 20 0 EGADMP Cc1cccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1C ZINC001205074527 1370643251 /nfs/dbraw/zinc/64/32/51/1370643251.db2.gz ITAYMFOZVVZANU-FGZHOGPDSA-N 2 1 342.527 3.484 20 0 EGADMP Cc1cccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1C ZINC001205074527 1370643257 /nfs/dbraw/zinc/64/32/57/1370643257.db2.gz ITAYMFOZVVZANU-FGZHOGPDSA-N 2 1 342.527 3.484 20 0 EGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209139 1370681547 /nfs/dbraw/zinc/68/15/47/1370681547.db2.gz HUHYTHMINUJWEK-UTKZUKDTSA-N 2 1 332.532 3.338 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC001205212019 1370683414 /nfs/dbraw/zinc/68/34/14/1370683414.db2.gz XDTGSSNDLMHBIU-FQEVSTJZSA-N 2 1 326.440 3.155 20 0 EGADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205220913 1370686146 /nfs/dbraw/zinc/68/61/46/1370686146.db2.gz NONUTIQPVKMEHW-OAQYLSRUSA-N 2 1 340.467 3.038 20 0 EGADMP Cn1c2ccccc2c2cc(C[N@H+]3CCC[C@@](O)(C[NH3+])CC3)ccc21 ZINC001205221203 1370686299 /nfs/dbraw/zinc/68/62/99/1370686299.db2.gz RFAJOBFUFCZQHH-NRFANRHFSA-N 2 1 337.467 3.007 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205285354 1370706930 /nfs/dbraw/zinc/70/69/30/1370706930.db2.gz WGYMHWRWOLKQEQ-QZPVUJMKSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CC1 ZINC001205296895 1370711417 /nfs/dbraw/zinc/71/14/17/1370711417.db2.gz WERJBOHXYNDSKV-OAHLLOKOSA-N 2 1 326.366 3.285 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc3cc(Br)ccc3[nH]2)C[C@H]1C[NH3+] ZINC001205303973 1370714298 /nfs/dbraw/zinc/71/42/98/1370714298.db2.gz MAZNXFOTWHLVCH-DGCLKSJQSA-N 2 1 336.277 3.347 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cc(OCc3ccccc3)ccn2)C[C@H]1C[NH3+] ZINC001205303309 1370714142 /nfs/dbraw/zinc/71/41/42/1370714142.db2.gz CMAVKIGSMBVNES-FUHWJXTLSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)ccn2)C[C@H]1C[NH3+] ZINC001205303309 1370714148 /nfs/dbraw/zinc/71/41/48/1370714148.db2.gz CMAVKIGSMBVNES-FUHWJXTLSA-N 2 1 325.456 3.077 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205303286 1370714356 /nfs/dbraw/zinc/71/43/56/1370714356.db2.gz BYKJEHABQICZMH-HUUCEWRRSA-N 2 1 343.471 3.070 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205303286 1370714359 /nfs/dbraw/zinc/71/43/59/1370714359.db2.gz BYKJEHABQICZMH-HUUCEWRRSA-N 2 1 343.471 3.070 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2c[nH]c3c2cccc3Br)C[C@H]1C[NH3+] ZINC001205305946 1370715556 /nfs/dbraw/zinc/71/55/56/1370715556.db2.gz UQIKKZDATNEDMB-VXGBXAGGSA-N 2 1 336.277 3.347 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3Br)C[C@H]1C[NH3+] ZINC001205305946 1370715560 /nfs/dbraw/zinc/71/55/60/1370715560.db2.gz UQIKKZDATNEDMB-VXGBXAGGSA-N 2 1 336.277 3.347 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cccc3cc(Br)cnc32)C[C@H]1C[NH3+] ZINC001205315386 1370719021 /nfs/dbraw/zinc/71/90/21/1370719021.db2.gz FMOQASZGIZRMDU-SWLSCSKDSA-N 2 1 348.288 3.414 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cn2)C[C@@H]1C[NH3+] ZINC001205317737 1370720077 /nfs/dbraw/zinc/72/00/77/1370720077.db2.gz PSDADGQBNMWZOQ-AEFFLSMTSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cn2)C[C@@H]1C[NH3+] ZINC001205317737 1370720082 /nfs/dbraw/zinc/72/00/82/1370720082.db2.gz PSDADGQBNMWZOQ-AEFFLSMTSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cccnc2OCc2ccccc2)C[C@@H]1C[NH3+] ZINC001205317355 1370720284 /nfs/dbraw/zinc/72/02/84/1370720284.db2.gz ODGVBQJZEXFTFT-LPHOPBHVSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cccnc2OCc2ccccc2)C[C@@H]1C[NH3+] ZINC001205317355 1370720287 /nfs/dbraw/zinc/72/02/87/1370720287.db2.gz ODGVBQJZEXFTFT-LPHOPBHVSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(O)c(OCc3ccccc3)c2)C[C@H]1C[NH3+] ZINC001205317346 1370720370 /nfs/dbraw/zinc/72/03/70/1370720370.db2.gz OCLKKAXBSWDVHG-VQIMIIECSA-N 2 1 340.467 3.388 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cnc3cc(Br)ccc3c2)C[C@@H]1C[NH3+] ZINC001205319479 1370721354 /nfs/dbraw/zinc/72/13/54/1370721354.db2.gz ZXKXGXKYAPUCHL-WFASDCNBSA-N 2 1 348.288 3.414 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CC(CC)CC)CC1 ZINC001205420468 1370749455 /nfs/dbraw/zinc/74/94/55/1370749455.db2.gz VOFUTUFGPZSCCF-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H](C)Cc2cnc[nH]2)CCCCC1 ZINC001115765813 1370750474 /nfs/dbraw/zinc/75/04/74/1370750474.db2.gz GYFVIHMCNFPPTD-INIZCTEOSA-N 2 1 348.535 3.433 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001205545642 1370786807 /nfs/dbraw/zinc/78/68/07/1370786807.db2.gz KZSSKUKOWACVMO-UXHICEINSA-N 2 1 333.495 3.052 20 0 EGADMP [NH3+]C[C@]1(F)CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001205545642 1370786809 /nfs/dbraw/zinc/78/68/09/1370786809.db2.gz KZSSKUKOWACVMO-UXHICEINSA-N 2 1 333.495 3.052 20 0 EGADMP [NH3+]C[C@]1(F)CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001205545642 1370786811 /nfs/dbraw/zinc/78/68/11/1370786811.db2.gz KZSSKUKOWACVMO-UXHICEINSA-N 3 1 333.495 3.052 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001205545642 1370786816 /nfs/dbraw/zinc/78/68/16/1370786816.db2.gz KZSSKUKOWACVMO-UXHICEINSA-N 2 1 333.495 3.052 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001205545642 1370786821 /nfs/dbraw/zinc/78/68/21/1370786821.db2.gz KZSSKUKOWACVMO-UXHICEINSA-N 2 1 333.495 3.052 20 0 EGADMP COc1ccc(-c2cccc(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)n2)cc1 ZINC001205570467 1370795333 /nfs/dbraw/zinc/79/53/33/1370795333.db2.gz KHILLTACPMWJKX-HXUWFJFHSA-N 2 1 343.446 3.410 20 0 EGADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(Cl)c1 ZINC001205578426 1370797969 /nfs/dbraw/zinc/79/79/69/1370797969.db2.gz BOLYQZNYRCENJM-KRWDZBQOSA-N 2 1 342.842 3.170 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC1 ZINC001205578439 1370798127 /nfs/dbraw/zinc/79/81/27/1370798127.db2.gz BYFDPGRUEFOIIV-QGZVFWFLSA-N 2 1 336.842 3.179 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CC1 ZINC001205578924 1370798482 /nfs/dbraw/zinc/79/84/82/1370798482.db2.gz KGOHSZOZTBEJPL-KRWDZBQOSA-N 2 1 336.842 3.179 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CC1 ZINC001205591283 1370802975 /nfs/dbraw/zinc/80/29/75/1370802975.db2.gz JOUZRCOEFTUGRR-OAHLLOKOSA-N 2 1 344.356 3.235 20 0 EGADMP C[C@H]1CC[N@@H+](CCc2cccc(Br)c2)CC[C@H]1C[NH3+] ZINC001205601638 1370806649 /nfs/dbraw/zinc/80/66/49/1370806649.db2.gz FMFRUGFSEFNTDB-ZFWWWQNUSA-N 2 1 325.294 3.298 20 0 EGADMP c1cc(N2CCCC2)cc(-c2ccc(CC[NH+]3CCOCC3)cc2)[nH+]1 ZINC001205612940 1370810462 /nfs/dbraw/zinc/81/04/62/1370810462.db2.gz AOQVYTFWIGNSJI-UHFFFAOYSA-N 2 1 337.467 3.224 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC[C@H]1C[NH3+] ZINC001205616556 1370811691 /nfs/dbraw/zinc/81/16/91/1370811691.db2.gz GDGQYKLTHFGTOL-RYUDHWBXSA-N 2 1 340.393 3.389 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc1OC(F)F ZINC001205618606 1370812667 /nfs/dbraw/zinc/81/26/67/1370812667.db2.gz XPEAHBXPGDVXLP-GXTWGEPZSA-N 2 1 328.403 3.103 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Br)n2)CC[C@@H]1C[NH3+] ZINC001205637394 1370821444 /nfs/dbraw/zinc/82/14/44/1370821444.db2.gz GQRHYWCGNFSATF-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Br)n2)CC[C@@H]1C[NH3+] ZINC001205637394 1370821446 /nfs/dbraw/zinc/82/14/46/1370821446.db2.gz GQRHYWCGNFSATF-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP CCOC(=O)c1c(Cl)cccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205652033 1370828241 /nfs/dbraw/zinc/82/82/41/1370828241.db2.gz NQCWNZRNGRYTPP-KGLIPLIRSA-N 2 1 338.879 3.324 20 0 EGADMP COc1ccc(-c2cccc(C[N@H+]3CCCC[C@](O)(C[NH3+])C3)c2)cc1 ZINC001205673000 1370838270 /nfs/dbraw/zinc/83/82/70/1370838270.db2.gz NNJCJXILNLMLKC-NRFANRHFSA-N 2 1 340.467 3.038 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001116208783 1370860061 /nfs/dbraw/zinc/86/00/61/1370860061.db2.gz HPWYRGNCGORQRP-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001116208783 1370860064 /nfs/dbraw/zinc/86/00/64/1370860064.db2.gz HPWYRGNCGORQRP-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001116208783 1370860067 /nfs/dbraw/zinc/86/00/67/1370860067.db2.gz HPWYRGNCGORQRP-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC001116289415 1370879356 /nfs/dbraw/zinc/87/93/56/1370879356.db2.gz VQXKOFKHIBCXAZ-JKSUJKDBSA-N 2 1 331.460 3.026 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205902114 1370905387 /nfs/dbraw/zinc/90/53/87/1370905387.db2.gz IDACFCJHSPMMJF-QFBILLFUSA-N 2 1 326.488 3.107 20 0 EGADMP COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1OC ZINC001205992525 1370932249 /nfs/dbraw/zinc/93/22/49/1370932249.db2.gz DZSIQZGMXLNCLN-CHWSQXEVSA-N 2 1 326.868 3.164 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2c(F)cccc2Br)CCC[C@H]1C[NH3+] ZINC001205996187 1370933447 /nfs/dbraw/zinc/93/34/47/1370933447.db2.gz VUJMDDFQFJSMLR-NEPJUHHUSA-N 2 1 329.257 3.395 20 0 EGADMP COc1c(Br)cccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206005227 1370935776 /nfs/dbraw/zinc/93/57/76/1370935776.db2.gz XDPOBRAQYMITPB-OLZOCXBDSA-N 2 1 341.293 3.265 20 0 EGADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(Cl)c1 ZINC001206013056 1370938424 /nfs/dbraw/zinc/93/84/24/1370938424.db2.gz PBVCDGSTRNIOFG-UKRRQHHQSA-N 2 1 338.879 3.324 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1Br ZINC001206013821 1370939330 /nfs/dbraw/zinc/93/93/30/1370939330.db2.gz ULFIONGZOKNMRJ-GXTWGEPZSA-N 2 1 341.293 3.265 20 0 EGADMP CC(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001206023439 1370941222 /nfs/dbraw/zinc/94/12/22/1370941222.db2.gz QAGTUGAOMKZRKW-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2Oc2cnccn2)CCC[C@H]1C[NH3+] ZINC001206027882 1370942317 /nfs/dbraw/zinc/94/23/17/1370942317.db2.gz XAWFDLHMMLFCSA-HOTGVXAUSA-N 2 1 326.444 3.076 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(O)c(OC(F)(F)F)c2)CCC[C@H]1C[NH3+] ZINC001206026561 1370942636 /nfs/dbraw/zinc/94/26/36/1370942636.db2.gz SVAJFAIIGYQDKS-YPMHNXCESA-N 2 1 332.366 3.098 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(OC)c1Cl ZINC001206036612 1370944521 /nfs/dbraw/zinc/94/45/21/1370944521.db2.gz MFWNNVLMZTVRFV-QWHCGFSZSA-N 2 1 326.868 3.164 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccnc2OCc2ccccc2)CCC[C@@H]1C[NH3+] ZINC001206036050 1370944803 /nfs/dbraw/zinc/94/48/03/1370944803.db2.gz FSQALNJAKZUBBX-PKOBYXMFSA-N 2 1 339.483 3.467 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1OCC1CC1 ZINC001206036705 1370945106 /nfs/dbraw/zinc/94/51/06/1370945106.db2.gz ONRWAYQFLAKHEP-DOTOQJQBSA-N 2 1 332.488 3.291 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001206274665 1371010289 /nfs/dbraw/zinc/01/02/89/1371010289.db2.gz LFGUZNAMJQPFFW-GOSISDBHSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(OC(F)(F)F)ccc2N)CC1 ZINC001206311794 1371017509 /nfs/dbraw/zinc/01/75/09/1371017509.db2.gz VHGOHPUMRKJNNT-HNNXBMFYSA-N 2 1 331.382 3.118 20 0 EGADMP COc1cc(Br)ccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206318955 1371019890 /nfs/dbraw/zinc/01/98/90/1371019890.db2.gz VPSCPDBSXVDRKH-INIZCTEOSA-N 2 1 341.293 3.409 20 0 EGADMP Cc1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc(C)c1-c1ccc(F)cc1F ZINC001206491775 1371071051 /nfs/dbraw/zinc/07/10/51/1371071051.db2.gz LOMWDYIGLDKSKH-HNAYVOBHSA-N 2 1 346.421 3.000 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(Br)cn2)CC1 ZINC001206526814 1371084400 /nfs/dbraw/zinc/08/44/00/1371084400.db2.gz KJPBMQXCWFOMRT-UHFFFAOYSA-N 2 1 340.309 3.396 20 0 EGADMP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206549226 1371090230 /nfs/dbraw/zinc/09/02/30/1371090230.db2.gz WJGLZVXOFWRLBW-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+](C[C@@H](C)Cc1ccc2c(c1)OCO2)[C@H]1CCC[NH2+]CC1 ZINC001206581445 1371099501 /nfs/dbraw/zinc/09/95/01/1371099501.db2.gz IWGXAMYRPZABFS-WMZOPIPTSA-N 2 1 332.488 3.446 20 0 EGADMP COC(=O)c1cccc2[nH]cc(C[N@@H+](C(C)C)[C@@H]3CCC[NH2+]CC3)c21 ZINC001206591638 1371102059 /nfs/dbraw/zinc/10/20/59/1371102059.db2.gz UNMANFNVFRXMID-MRXNPFEDSA-N 2 1 343.471 3.307 20 0 EGADMP COC(=O)c1ccc2c(C[N@@H+](C(C)C)[C@@H]3CCC[NH2+]CC3)c[nH]c2c1 ZINC001206591001 1371102070 /nfs/dbraw/zinc/10/20/70/1371102070.db2.gz OYVIQLZFYGMZTK-QGZVFWFLSA-N 2 1 343.471 3.307 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]C/C=C/Cl)CC1 ZINC001206621945 1371110488 /nfs/dbraw/zinc/11/04/88/1371110488.db2.gz NWPUMABYZLEOSM-JXMROGBWSA-N 2 1 343.943 3.079 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c(F)c1 ZINC001117942827 1371111072 /nfs/dbraw/zinc/11/10/72/1371111072.db2.gz GSNZNLMJDKHLJF-INIZCTEOSA-N 2 1 347.478 3.480 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2c[nH]c3c2cccc3Br)C1 ZINC001206633118 1371114331 /nfs/dbraw/zinc/11/43/31/1371114331.db2.gz TXGZGDOAEXVEKY-LBPRGKRZSA-N 2 1 336.277 3.491 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c[nH]c3c2cccc3Br)C1 ZINC001206633118 1371114335 /nfs/dbraw/zinc/11/43/35/1371114335.db2.gz TXGZGDOAEXVEKY-LBPRGKRZSA-N 2 1 336.277 3.491 20 0 EGADMP CCOc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)ccc1OC(=O)C(C)C ZINC001206631838 1371114615 /nfs/dbraw/zinc/11/46/15/1371114615.db2.gz AUZCDPSIOZLSKU-KRWDZBQOSA-N 2 1 348.487 3.208 20 0 EGADMP CCOc1cccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1Br ZINC001206646380 1371117958 /nfs/dbraw/zinc/11/79/58/1371117958.db2.gz BHJMQIZVHPTXNM-CYBMUJFWSA-N 2 1 341.293 3.409 20 0 EGADMP CCOc1cccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1Br ZINC001206646380 1371117964 /nfs/dbraw/zinc/11/79/64/1371117964.db2.gz BHJMQIZVHPTXNM-CYBMUJFWSA-N 2 1 341.293 3.409 20 0 EGADMP C[N@H+](CCc1cccc(F)c1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206727936 1371146596 /nfs/dbraw/zinc/14/65/96/1371146596.db2.gz OPWMJVJHLJDFAZ-UHFFFAOYSA-N 2 1 342.458 3.332 20 0 EGADMP C[N@@H+](CCc1cccc(F)c1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206727936 1371146601 /nfs/dbraw/zinc/14/66/01/1371146601.db2.gz OPWMJVJHLJDFAZ-UHFFFAOYSA-N 2 1 342.458 3.332 20 0 EGADMP Cc1cc(N2CC[NH+](C)CC2)ccc1Nc1c[nH+]c(N(C)C)cc1C ZINC001206742115 1371150969 /nfs/dbraw/zinc/15/09/69/1371150969.db2.gz FCBATESSBHVGQO-UHFFFAOYSA-N 2 1 339.487 3.260 20 0 EGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1c(Br)[nH]c2ccccc21 ZINC001206767656 1371157498 /nfs/dbraw/zinc/15/74/98/1371157498.db2.gz DEYLAWIWJVCQDL-VXGBXAGGSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1c(Br)[nH]c2ccccc21 ZINC001206767656 1371157499 /nfs/dbraw/zinc/15/74/99/1371157499.db2.gz DEYLAWIWJVCQDL-VXGBXAGGSA-N 2 1 336.277 3.490 20 0 EGADMP COc1ccc(-c2cccc(C[N@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)n2)cc1 ZINC001206770092 1371159846 /nfs/dbraw/zinc/15/98/46/1371159846.db2.gz QPXBJSZWGHAOET-JKSUJKDBSA-N 2 1 325.456 3.316 20 0 EGADMP Cc1ncc(CN2CCC[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2)n1C ZINC001206795838 1371169641 /nfs/dbraw/zinc/16/96/41/1371169641.db2.gz MXMVNTCCERYBKG-FQEVSTJZSA-N 2 1 338.499 3.358 20 0 EGADMP Cc1[nH+]cc(CN2CCC[C@H]([N@H+](Cc3ccccc3)C3CC3)C2)n1C ZINC001206795838 1371169644 /nfs/dbraw/zinc/16/96/44/1371169644.db2.gz MXMVNTCCERYBKG-FQEVSTJZSA-N 2 1 338.499 3.358 20 0 EGADMP Cc1[nH+]cc(CN2CCC[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2)n1C ZINC001206795838 1371169654 /nfs/dbraw/zinc/16/96/54/1371169654.db2.gz MXMVNTCCERYBKG-FQEVSTJZSA-N 2 1 338.499 3.358 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206811453 1371176836 /nfs/dbraw/zinc/17/68/36/1371176836.db2.gz UURCMALTOUDBGW-CABCVRRESA-N 2 1 343.471 3.212 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206811453 1371176841 /nfs/dbraw/zinc/17/68/41/1371176841.db2.gz UURCMALTOUDBGW-CABCVRRESA-N 2 1 343.471 3.212 20 0 EGADMP Fc1cccnc1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001207031360 1371272668 /nfs/dbraw/zinc/27/26/68/1371272668.db2.gz KHBKXOFZXRQFFL-UHFFFAOYSA-N 2 1 329.419 3.302 20 0 EGADMP Fc1cccnc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001207031360 1371272670 /nfs/dbraw/zinc/27/26/70/1371272670.db2.gz KHBKXOFZXRQFFL-UHFFFAOYSA-N 2 1 329.419 3.302 20 0 EGADMP COc1ccccc1N1CCC([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001119238027 1371288292 /nfs/dbraw/zinc/28/82/92/1371288292.db2.gz VUQQIYMQFWHPLH-QZTJIDSGSA-N 2 1 331.504 3.126 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)CCC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207230658 1371335402 /nfs/dbraw/zinc/33/54/02/1371335402.db2.gz CAPSJNFPJYICOV-UHFFFAOYSA-N 2 1 339.524 3.098 20 0 EGADMP c1ccc(COCC[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001207235707 1371338085 /nfs/dbraw/zinc/33/80/85/1371338085.db2.gz NEFPIEHVPGPPIX-SZPZYZBQSA-N 2 1 336.479 3.267 20 0 EGADMP c1ccc(COCC[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001207235707 1371338091 /nfs/dbraw/zinc/33/80/91/1371338091.db2.gz NEFPIEHVPGPPIX-SZPZYZBQSA-N 2 1 336.479 3.267 20 0 EGADMP c1ccc(COCC[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001207235707 1371338095 /nfs/dbraw/zinc/33/80/95/1371338095.db2.gz NEFPIEHVPGPPIX-SZPZYZBQSA-N 2 1 336.479 3.267 20 0 EGADMP c1ccc(COCC[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001207235707 1371338099 /nfs/dbraw/zinc/33/80/99/1371338099.db2.gz NEFPIEHVPGPPIX-SZPZYZBQSA-N 2 1 336.479 3.267 20 0 EGADMP CCCC[NH+]1CCN(CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207291374 1371352877 /nfs/dbraw/zinc/35/28/77/1371352877.db2.gz PGUIJUNPPCNBSV-UHFFFAOYSA-N 2 1 329.532 3.316 20 0 EGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001207316040 1371358813 /nfs/dbraw/zinc/35/88/13/1371358813.db2.gz WMZUHAYGYRNTJK-KRWDZBQOSA-N 2 1 339.524 3.192 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001207316040 1371358815 /nfs/dbraw/zinc/35/88/15/1371358815.db2.gz WMZUHAYGYRNTJK-KRWDZBQOSA-N 2 1 339.524 3.192 20 0 EGADMP COC(=O)c1ccc([C@@H]2CCCC[N@H+]2CC2CC[NH+](C)CC2)cc1 ZINC001207400700 1371385339 /nfs/dbraw/zinc/38/53/39/1371385339.db2.gz AZFMNPOXBXWSQH-IBGZPJMESA-N 2 1 330.472 3.342 20 0 EGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@@H+]2CCc3nccn3CC2)CC1 ZINC001207410947 1371386895 /nfs/dbraw/zinc/38/68/95/1371386895.db2.gz FJYBCCJTCSROTB-GOSISDBHSA-N 2 1 331.504 3.409 20 0 EGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001207410947 1371386899 /nfs/dbraw/zinc/38/68/99/1371386899.db2.gz FJYBCCJTCSROTB-GOSISDBHSA-N 2 1 331.504 3.409 20 0 EGADMP CC(C)(O)CCCC1=CC[C@@H](C[N@@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001207410947 1371386908 /nfs/dbraw/zinc/38/69/08/1371386908.db2.gz FJYBCCJTCSROTB-GOSISDBHSA-N 2 1 331.504 3.409 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207436653 1371395566 /nfs/dbraw/zinc/39/55/66/1371395566.db2.gz GUSGTAIHRVITRD-ACRUOGEOSA-N 2 1 327.516 3.097 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207436653 1371395570 /nfs/dbraw/zinc/39/55/70/1371395570.db2.gz GUSGTAIHRVITRD-ACRUOGEOSA-N 3 1 327.516 3.097 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207436653 1371395577 /nfs/dbraw/zinc/39/55/77/1371395577.db2.gz GUSGTAIHRVITRD-ACRUOGEOSA-N 3 1 327.516 3.097 20 0 EGADMP CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207436653 1371395581 /nfs/dbraw/zinc/39/55/81/1371395581.db2.gz GUSGTAIHRVITRD-ACRUOGEOSA-N 2 1 327.516 3.097 20 0 EGADMP CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207436653 1371395585 /nfs/dbraw/zinc/39/55/85/1371395585.db2.gz GUSGTAIHRVITRD-ACRUOGEOSA-N 2 1 327.516 3.097 20 0 EGADMP Fc1ccccc1CC[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001207496205 1371414048 /nfs/dbraw/zinc/41/40/48/1371414048.db2.gz CUARHPFICIEIID-IRXDYDNUSA-N 2 1 330.472 3.494 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](CCc3ccccc3F)C2)C1 ZINC001207497249 1371414551 /nfs/dbraw/zinc/41/45/51/1371414551.db2.gz ZANGTCQZOGXKCN-FQEVSTJZSA-N 2 1 334.479 3.191 20 0 EGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](CCc3ccccc3F)C2)C1 ZINC001207497249 1371414552 /nfs/dbraw/zinc/41/45/52/1371414552.db2.gz ZANGTCQZOGXKCN-FQEVSTJZSA-N 2 1 334.479 3.191 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](CCc3ccccc3F)C2)C1 ZINC001207497249 1371414556 /nfs/dbraw/zinc/41/45/56/1371414556.db2.gz ZANGTCQZOGXKCN-FQEVSTJZSA-N 2 1 334.479 3.191 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](CCc3ccccc3F)C2)C1 ZINC001207497249 1371414557 /nfs/dbraw/zinc/41/45/57/1371414557.db2.gz ZANGTCQZOGXKCN-FQEVSTJZSA-N 2 1 334.479 3.191 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3c(Cl)nc4ccccn43)C[C@@H]2C1 ZINC001119990764 1371444945 /nfs/dbraw/zinc/44/49/45/1371444945.db2.gz YNEATYBWKLUPBK-QLFBSQMISA-N 2 1 332.879 3.150 20 0 EGADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](CCCC3CCCCC3)CC[C@@H]21 ZINC001207608515 1371451564 /nfs/dbraw/zinc/45/15/64/1371451564.db2.gz VHRQDGQQDPUHLW-AABGKKOBSA-N 2 1 345.535 3.033 20 0 EGADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CCCC3CCCCC3)CC[C@@H]21 ZINC001207608515 1371451568 /nfs/dbraw/zinc/45/15/68/1371451568.db2.gz VHRQDGQQDPUHLW-AABGKKOBSA-N 2 1 345.535 3.033 20 0 EGADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CCCC3CCCCC3)CC[C@@H]21 ZINC001207608515 1371451571 /nfs/dbraw/zinc/45/15/71/1371451571.db2.gz VHRQDGQQDPUHLW-AABGKKOBSA-N 2 1 345.535 3.033 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001120207859 1371504819 /nfs/dbraw/zinc/50/48/19/1371504819.db2.gz JGQXCVPWTQTLBG-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001207868219 1371525814 /nfs/dbraw/zinc/52/58/14/1371525814.db2.gz MCJLKIKEBMLLPJ-FRQCXROJSA-N 2 1 342.487 3.067 20 0 EGADMP Cc1ccc(CCC[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)o1 ZINC001207944237 1371544659 /nfs/dbraw/zinc/54/46/59/1371544659.db2.gz OFZZNRBQNHIUBH-HXUWFJFHSA-N 2 1 334.504 3.343 20 0 EGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001207956570 1371550034 /nfs/dbraw/zinc/55/00/34/1371550034.db2.gz ANAZFHGBRXKWHB-GFOJFJKKSA-N 2 1 343.515 3.183 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001207956570 1371550038 /nfs/dbraw/zinc/55/00/38/1371550038.db2.gz ANAZFHGBRXKWHB-GFOJFJKKSA-N 2 1 343.515 3.183 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001207956570 1371550043 /nfs/dbraw/zinc/55/00/43/1371550043.db2.gz ANAZFHGBRXKWHB-GFOJFJKKSA-N 2 1 343.515 3.183 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001207956570 1371550048 /nfs/dbraw/zinc/55/00/48/1371550048.db2.gz ANAZFHGBRXKWHB-GFOJFJKKSA-N 2 1 343.515 3.183 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001207956570 1371550050 /nfs/dbraw/zinc/55/00/50/1371550050.db2.gz ANAZFHGBRXKWHB-GFOJFJKKSA-N 2 1 343.515 3.183 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CC)C1 ZINC001120429804 1371573052 /nfs/dbraw/zinc/57/30/52/1371573052.db2.gz BLNNWQCELWWUIQ-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC)C1 ZINC001120429804 1371573057 /nfs/dbraw/zinc/57/30/57/1371573057.db2.gz BLNNWQCELWWUIQ-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC)C1 ZINC001120429804 1371573060 /nfs/dbraw/zinc/57/30/60/1371573060.db2.gz BLNNWQCELWWUIQ-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439608 1371577166 /nfs/dbraw/zinc/57/71/66/1371577166.db2.gz HJIKTNARLJROIN-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CC2CCCC2)C1 ZINC001120450624 1371581766 /nfs/dbraw/zinc/58/17/66/1371581766.db2.gz XIZKKISLVAEDBZ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC2CCCC2)C1 ZINC001120450624 1371581771 /nfs/dbraw/zinc/58/17/71/1371581771.db2.gz XIZKKISLVAEDBZ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC2CCCC2)C1 ZINC001120450624 1371581774 /nfs/dbraw/zinc/58/17/74/1371581774.db2.gz XIZKKISLVAEDBZ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)CC1 ZINC001208110831 1371597540 /nfs/dbraw/zinc/59/75/40/1371597540.db2.gz HBCHUZPMFNRIKE-UHFFFAOYSA-N 2 1 341.543 3.316 20 0 EGADMP COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)CC1(C)CC[NH+](C)CC1 ZINC001208112137 1371598846 /nfs/dbraw/zinc/59/88/46/1371598846.db2.gz RMYDKBXJKMGAPV-KRWDZBQOSA-N 2 1 332.488 3.172 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208128942 1371604527 /nfs/dbraw/zinc/60/45/27/1371604527.db2.gz MCUDYEJSLDRNIZ-IEBWSBKVSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208128942 1371604530 /nfs/dbraw/zinc/60/45/30/1371604530.db2.gz MCUDYEJSLDRNIZ-IEBWSBKVSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC001120582339 1371622479 /nfs/dbraw/zinc/62/24/79/1371622479.db2.gz IASMCYXOAPCOEK-AWEZNQCLSA-N 2 1 337.895 3.379 20 0 EGADMP Cc1cccnc1N1CCC[N@H+](CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208193089 1371632638 /nfs/dbraw/zinc/63/26/38/1371632638.db2.gz ZSOVIHDMOZMPSB-UHFFFAOYSA-N 2 1 330.520 3.024 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208330691 1371720419 /nfs/dbraw/zinc/72/04/19/1371720419.db2.gz COEXHLHNEXKTIX-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208474665 1371781531 /nfs/dbraw/zinc/78/15/31/1371781531.db2.gz OAKCPYDHERRFFV-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C)C[C@H]1C)[NH+](CC)CC ZINC001208575798 1371824646 /nfs/dbraw/zinc/82/46/46/1371824646.db2.gz VMCWZNFUKIRAKC-MISYRCLQSA-N 2 1 345.531 3.052 20 0 EGADMP CCC[NH+]1C[C@@H]2CN(C[C@@H]3CCCC[N@H+]3Cc3ccccc3)C[C@H]2C1 ZINC001208592936 1371832744 /nfs/dbraw/zinc/83/27/44/1371832744.db2.gz ZLJPSEHADYRBPZ-VSKRKVRLSA-N 2 1 341.543 3.315 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)C1 ZINC001208610306 1371839159 /nfs/dbraw/zinc/83/91/59/1371839159.db2.gz PHAGUTCWIDVCCT-NJYVYQBISA-N 2 1 343.515 3.042 20 0 EGADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)C1 ZINC001208610306 1371839163 /nfs/dbraw/zinc/83/91/63/1371839163.db2.gz PHAGUTCWIDVCCT-NJYVYQBISA-N 2 1 343.515 3.042 20 0 EGADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)C1 ZINC001208610306 1371839169 /nfs/dbraw/zinc/83/91/69/1371839169.db2.gz PHAGUTCWIDVCCT-NJYVYQBISA-N 2 1 343.515 3.042 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001208727738 1371875307 /nfs/dbraw/zinc/87/53/07/1371875307.db2.gz ICUVLWREKLGWIC-APPMSGIXSA-N 2 1 342.531 3.414 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001208727738 1371875309 /nfs/dbraw/zinc/87/53/09/1371875309.db2.gz ICUVLWREKLGWIC-APPMSGIXSA-N 2 1 342.531 3.414 20 0 EGADMP C[N@H+](C1CCOCC1)C1CC[NH+](CCCc2ccc(F)cc2)CC1 ZINC001208771210 1371891698 /nfs/dbraw/zinc/89/16/98/1371891698.db2.gz SVDZSAGMGZXYDZ-UHFFFAOYSA-N 2 1 334.479 3.334 20 0 EGADMP C[N@@H+](C1CCOCC1)C1CC[NH+](CCCc2ccc(F)cc2)CC1 ZINC001208771210 1371891708 /nfs/dbraw/zinc/89/17/08/1371891708.db2.gz SVDZSAGMGZXYDZ-UHFFFAOYSA-N 2 1 334.479 3.334 20 0 EGADMP CC[NH+](CC)CCN1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC001208870810 1371926935 /nfs/dbraw/zinc/92/69/35/1371926935.db2.gz GOUSOTSJJGATEG-UHFFFAOYSA-N 2 1 337.939 3.232 20 0 EGADMP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001121348338 1371946235 /nfs/dbraw/zinc/94/62/35/1371946235.db2.gz WHCMJKULYXTURO-CGAYHSHTSA-N 2 1 349.563 3.170 20 0 EGADMP O[C@]1(CF)CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208930405 1371949317 /nfs/dbraw/zinc/94/93/17/1371949317.db2.gz AXYBNWGPMXCUDB-WOJBJXKFSA-N 2 1 334.479 3.085 20 0 EGADMP O[C@]1(CF)CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208930405 1371949323 /nfs/dbraw/zinc/94/93/23/1371949323.db2.gz AXYBNWGPMXCUDB-WOJBJXKFSA-N 2 1 334.479 3.085 20 0 EGADMP O[C@]1(CF)CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208930405 1371949324 /nfs/dbraw/zinc/94/93/24/1371949324.db2.gz AXYBNWGPMXCUDB-WOJBJXKFSA-N 2 1 334.479 3.085 20 0 EGADMP O[C@@]1(CF)CCCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208931251 1371950249 /nfs/dbraw/zinc/95/02/49/1371950249.db2.gz IPTKQWIKIONRDC-VQTJNVASSA-N 2 1 334.479 3.085 20 0 EGADMP O[C@@]1(CF)CCCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208931251 1371950259 /nfs/dbraw/zinc/95/02/59/1371950259.db2.gz IPTKQWIKIONRDC-VQTJNVASSA-N 2 1 334.479 3.085 20 0 EGADMP O[C@@]1(CF)CCCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208931251 1371950265 /nfs/dbraw/zinc/95/02/65/1371950265.db2.gz IPTKQWIKIONRDC-VQTJNVASSA-N 2 1 334.479 3.085 20 0 EGADMP OC[C@]1(F)CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208931520 1371950590 /nfs/dbraw/zinc/95/05/90/1371950590.db2.gz KYYDFEKLRCKZDM-UXHICEINSA-N 2 1 334.479 3.085 20 0 EGADMP OC[C@]1(F)CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208931520 1371950595 /nfs/dbraw/zinc/95/05/95/1371950595.db2.gz KYYDFEKLRCKZDM-UXHICEINSA-N 2 1 334.479 3.085 20 0 EGADMP OC[C@]1(F)CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208931520 1371950602 /nfs/dbraw/zinc/95/06/02/1371950602.db2.gz KYYDFEKLRCKZDM-UXHICEINSA-N 2 1 334.479 3.085 20 0 EGADMP O=C1CCC2(CC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)O1 ZINC001208937929 1371954404 /nfs/dbraw/zinc/95/44/04/1371954404.db2.gz WJQAQUHEHVPPQD-LJQANCHMSA-N 2 1 342.483 3.070 20 0 EGADMP O=C1CCC2(CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)O1 ZINC001208937929 1371954408 /nfs/dbraw/zinc/95/44/08/1371954408.db2.gz WJQAQUHEHVPPQD-LJQANCHMSA-N 2 1 342.483 3.070 20 0 EGADMP CCOC(=O)CC1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208940759 1371956399 /nfs/dbraw/zinc/95/63/99/1371956399.db2.gz GJSDNLWGRLRPDD-FQEVSTJZSA-N 2 1 344.499 3.174 20 0 EGADMP CC1([NH+]2CCCC2)CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208955859 1371962803 /nfs/dbraw/zinc/96/28/03/1371962803.db2.gz FXMGNFKMZYTFCB-OAQYLSRUSA-N 2 1 341.543 3.459 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC3(C2)CC([NH2+]C[C@@H](C)CC)C3)C1 ZINC001121616688 1372026795 /nfs/dbraw/zinc/02/67/95/1372026795.db2.gz OGKLLADMUAXPEG-IAAUGFHKSA-N 2 1 349.563 3.172 20 0 EGADMP CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209222557 1372042572 /nfs/dbraw/zinc/04/25/72/1372042572.db2.gz JWUBTSBODZKQIG-HKUYNNGSSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001209414387 1372099836 /nfs/dbraw/zinc/09/98/36/1372099836.db2.gz LVQOJIFOTUWLTQ-SEVLPDGMSA-N 2 1 332.532 3.103 20 0 EGADMP C[C@@H]1C[C@H]1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001209414387 1372099841 /nfs/dbraw/zinc/09/98/41/1372099841.db2.gz LVQOJIFOTUWLTQ-SEVLPDGMSA-N 2 1 332.532 3.103 20 0 EGADMP C[C@@H]1C[C@H]1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001209414387 1372099844 /nfs/dbraw/zinc/09/98/44/1372099844.db2.gz LVQOJIFOTUWLTQ-SEVLPDGMSA-N 2 1 332.532 3.103 20 0 EGADMP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001121867281 1372108674 /nfs/dbraw/zinc/10/86/74/1372108674.db2.gz MFHCZODMSVKBFL-MBEFBZSESA-N 2 1 349.563 3.312 20 0 EGADMP c1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001209554118 1372136254 /nfs/dbraw/zinc/13/62/54/1372136254.db2.gz WOFNUIKECSHMGX-ROUUACIJSA-N 2 1 327.497 3.487 20 0 EGADMP c1ncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001209554118 1372136259 /nfs/dbraw/zinc/13/62/59/1372136259.db2.gz WOFNUIKECSHMGX-ROUUACIJSA-N 2 1 327.497 3.487 20 0 EGADMP c1ncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001209554118 1372136264 /nfs/dbraw/zinc/13/62/64/1372136264.db2.gz WOFNUIKECSHMGX-ROUUACIJSA-N 2 1 327.497 3.487 20 0 EGADMP Cc1nc2ccccn2c1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001209649244 1372161681 /nfs/dbraw/zinc/16/16/81/1372161681.db2.gz GOEMFGXBAQBKQR-ROUUACIJSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1nc2ccccn2c1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001209649244 1372161686 /nfs/dbraw/zinc/16/16/86/1372161686.db2.gz GOEMFGXBAQBKQR-ROUUACIJSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1nc2ccccn2c1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001209649244 1372161687 /nfs/dbraw/zinc/16/16/87/1372161687.db2.gz GOEMFGXBAQBKQR-ROUUACIJSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1nc2ccccn2c1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001209649244 1372161693 /nfs/dbraw/zinc/16/16/93/1372161693.db2.gz GOEMFGXBAQBKQR-ROUUACIJSA-N 2 1 326.488 3.482 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001122101358 1372174423 /nfs/dbraw/zinc/17/44/23/1372174423.db2.gz LRPVPAQYZGMYLT-FPLPWBNLSA-N 2 1 349.563 3.482 20 0 EGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)Cc1cccc(Br)c1 ZINC001209846186 1372212462 /nfs/dbraw/zinc/21/24/62/1372212462.db2.gz QWMNYMQHPGCYPG-SMDDNHRTSA-N 2 1 347.247 3.372 20 0 EGADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)Cc1cccc(Br)c1 ZINC001209846186 1372212465 /nfs/dbraw/zinc/21/24/65/1372212465.db2.gz QWMNYMQHPGCYPG-SMDDNHRTSA-N 2 1 347.247 3.372 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001209951876 1372240026 /nfs/dbraw/zinc/24/00/26/1372240026.db2.gz OGCIYWLNTDWIAS-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC001326445502 1388190784 /nfs/dbraw/zinc/19/07/84/1388190784.db2.gz WZQMUUXPKNFUKT-FMKPAKJESA-N 2 1 336.549 3.247 20 0 EGADMP Cc1ccc2sc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)nc2c1 ZINC001210262073 1372308797 /nfs/dbraw/zinc/30/87/97/1372308797.db2.gz QDKUNKAEPHXTAE-UHFFFAOYSA-N 2 1 325.441 3.153 20 0 EGADMP Cc1cc(Cl)nc(Cl)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210263017 1372308851 /nfs/dbraw/zinc/30/88/51/1372308851.db2.gz XSCGXPCFXNXZDP-UHFFFAOYSA-N 2 1 338.242 3.245 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)c2cccc(F)c2)C[C@H]1C ZINC001210499287 1372367088 /nfs/dbraw/zinc/36/70/88/1372367088.db2.gz VMRSVPKUKLGUEH-JTDSTZFVSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cccc(F)c2)C[C@H]1C ZINC001210499287 1372367091 /nfs/dbraw/zinc/36/70/91/1372367091.db2.gz VMRSVPKUKLGUEH-JTDSTZFVSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cccc(F)c2)C[C@H]1C ZINC001210499287 1372367096 /nfs/dbraw/zinc/36/70/96/1372367096.db2.gz VMRSVPKUKLGUEH-JTDSTZFVSA-N 2 1 349.494 3.055 20 0 EGADMP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001210584396 1372384943 /nfs/dbraw/zinc/38/49/43/1372384943.db2.gz GYEHLVUONYAFLG-RBUKOAKNSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC(C)C)C1 ZINC001210586670 1372385283 /nfs/dbraw/zinc/38/52/83/1372385283.db2.gz ZVXBNRNLVISGIJ-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]C/C=C\Cl)C1)c1ccccc1 ZINC001210645793 1372399351 /nfs/dbraw/zinc/39/93/51/1372399351.db2.gz UPPSNDLULGPQPW-OCECCIJISA-N 2 1 349.906 3.013 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001210773482 1372424143 /nfs/dbraw/zinc/42/41/43/1372424143.db2.gz LJKHBJCRDLYUIR-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001210796799 1372427996 /nfs/dbraw/zinc/42/79/96/1372427996.db2.gz KJCNAJZEXGXVJM-UYAOXDASSA-N 2 1 345.531 3.369 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094585 1372484740 /nfs/dbraw/zinc/48/47/40/1372484740.db2.gz HKYUOKBLFSTNEY-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH2+][C@@H](C)CC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC001326473654 1388206275 /nfs/dbraw/zinc/20/62/75/1388206275.db2.gz MYKZETCLXXEEOU-FZMZJTMJSA-N 2 1 327.266 3.250 20 0 EGADMP CC(=O)c1ccc(F)c(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1 ZINC001212145207 1372664223 /nfs/dbraw/zinc/66/42/23/1372664223.db2.gz NWTSEGGSBDSMHN-INIZCTEOSA-N 2 1 348.422 3.246 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc3c(c2)CCC3=O)no1 ZINC001212145199 1372664297 /nfs/dbraw/zinc/66/42/97/1372664297.db2.gz NKNPIPLPWXNHOA-INIZCTEOSA-N 2 1 342.443 3.034 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001326507769 1388223352 /nfs/dbraw/zinc/22/33/52/1388223352.db2.gz JTQAPWIYMUHVEM-CADBVGFASA-N 2 1 337.552 3.027 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636257 1373093622 /nfs/dbraw/zinc/09/36/22/1373093622.db2.gz GIYRQHYIWOPQIT-QWFCFKBJSA-N 2 1 347.547 3.044 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+][C@@H](C)c1ccccc1C ZINC001127685835 1373162024 /nfs/dbraw/zinc/16/20/24/1373162024.db2.gz VMBDWJXLXJKAON-IRXDYDNUSA-N 2 1 342.487 3.172 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC001129328719 1373372731 /nfs/dbraw/zinc/37/27/31/1373372731.db2.gz RVIKTBRHGQTFKJ-RBUKOAKNSA-N 2 1 345.531 3.048 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129416486 1373381585 /nfs/dbraw/zinc/38/15/85/1373381585.db2.gz IGPAOXJIXNLBSP-MSOLQXFVSA-N 2 1 331.504 3.025 20 0 EGADMP CC[C@H]([NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001129422427 1373382153 /nfs/dbraw/zinc/38/21/53/1373382153.db2.gz IKKOMFVRUIMGOZ-OALUTQOASA-N 2 1 331.504 3.106 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001130299771 1373487412 /nfs/dbraw/zinc/48/74/12/1373487412.db2.gz CKGCPNAGNNYNFW-VQIMIIECSA-N 2 1 331.504 3.061 20 0 EGADMP C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001217990421 1373527910 /nfs/dbraw/zinc/52/79/10/1373527910.db2.gz TZSATDXGMDTDFB-LRDDRELGSA-N 2 1 341.293 3.278 20 0 EGADMP c1ccc(C[N@@H+]2CCc3ccc(O[C@@H]4CC[C@@]45CC[NH2+]C5)nc3C2)cc1 ZINC001218114726 1373563398 /nfs/dbraw/zinc/56/33/98/1373563398.db2.gz CZUXYCQZMXPOBP-IRLDBZIGSA-N 2 1 349.478 3.161 20 0 EGADMP c1ccc(C[N@H+]2CCc3ccc(O[C@@H]4CC[C@@]45CC[NH2+]C5)nc3C2)cc1 ZINC001218114726 1373563404 /nfs/dbraw/zinc/56/34/04/1373563404.db2.gz CZUXYCQZMXPOBP-IRLDBZIGSA-N 2 1 349.478 3.161 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)c1cccc(F)c1 ZINC001130622280 1373570983 /nfs/dbraw/zinc/57/09/83/1373570983.db2.gz AUJFRPYQQWSUBV-HNNXBMFYSA-N 2 1 349.494 3.246 20 0 EGADMP c1ccc(C[N@@H+]2CCc3nc(O[C@@H]4C[C@H]5CC[NH2+][C@@H]5C4)ccc3C2)cc1 ZINC001218245391 1373582381 /nfs/dbraw/zinc/58/23/81/1373582381.db2.gz FMBRQZPCHKYWCQ-YFVAEKQCSA-N 2 1 349.478 3.159 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(O[C@@H]4C[C@H]5CC[NH2+][C@@H]5C4)ccc3C2)cc1 ZINC001218245391 1373582386 /nfs/dbraw/zinc/58/23/86/1373582386.db2.gz FMBRQZPCHKYWCQ-YFVAEKQCSA-N 2 1 349.478 3.159 20 0 EGADMP c1ccc(C[N@@H+]2CCc3ccc(O[C@@H]4C[C@H]5CC[NH2+][C@H]5C4)nc3C2)cc1 ZINC001218252675 1373583955 /nfs/dbraw/zinc/58/39/55/1373583955.db2.gz UOGLBDKSYIUEIM-AQNXPRMDSA-N 2 1 349.478 3.159 20 0 EGADMP c1ccc(C[N@H+]2CCc3ccc(O[C@@H]4C[C@H]5CC[NH2+][C@H]5C4)nc3C2)cc1 ZINC001218252675 1373583960 /nfs/dbraw/zinc/58/39/60/1373583960.db2.gz UOGLBDKSYIUEIM-AQNXPRMDSA-N 2 1 349.478 3.159 20 0 EGADMP [NH3+]CCc1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC001218410758 1373609301 /nfs/dbraw/zinc/60/93/01/1373609301.db2.gz MOBSNSDOGSDXDT-SFHVURJKSA-N 2 1 330.859 3.495 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848317 1373797669 /nfs/dbraw/zinc/79/76/69/1373797669.db2.gz JZNGHQJMITWLHM-XUVXKRRUSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873110 1373800123 /nfs/dbraw/zinc/80/01/23/1373800123.db2.gz PZOZDSNHBIRVOR-RTBURBONSA-N 2 1 346.519 3.085 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873110 1373800131 /nfs/dbraw/zinc/80/01/31/1373800131.db2.gz PZOZDSNHBIRVOR-RTBURBONSA-N 2 1 346.519 3.085 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001223116324 1375032896 /nfs/dbraw/zinc/03/28/96/1375032896.db2.gz SVSRQJHBFMOEAD-APWZRJJASA-N 2 1 340.471 3.061 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001225542705 1375122021 /nfs/dbraw/zinc/12/20/21/1375122021.db2.gz MYBWGVFRYIVEIB-CALCHBBNSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCC1CCCC1 ZINC001132105177 1375150728 /nfs/dbraw/zinc/15/07/28/1375150728.db2.gz BXLQIRZYJNWNSL-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@H+]1CCC1CC1 ZINC001132141532 1375167144 /nfs/dbraw/zinc/16/71/44/1375167144.db2.gz RLHJSIUCUSRDEU-FUHWJXTLSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[NH+]1CCC1CC1 ZINC001132141532 1375167149 /nfs/dbraw/zinc/16/71/49/1375167149.db2.gz RLHJSIUCUSRDEU-FUHWJXTLSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[NH+]1CCC1CC1 ZINC001132141532 1375167152 /nfs/dbraw/zinc/16/71/52/1375167152.db2.gz RLHJSIUCUSRDEU-FUHWJXTLSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132152339 1375171710 /nfs/dbraw/zinc/17/17/10/1375171710.db2.gz ADCJWMCKGXOFJE-WMZOPIPTSA-N 2 1 342.487 3.353 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CCCCC2)C1 ZINC001132152785 1375172783 /nfs/dbraw/zinc/17/27/83/1375172783.db2.gz IVHBIDXGVXQKCV-FUHWJXTLSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCCCC2)C1 ZINC001132152785 1375172785 /nfs/dbraw/zinc/17/27/85/1375172785.db2.gz IVHBIDXGVXQKCV-FUHWJXTLSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CCCCC2)C1 ZINC001132152785 1375172788 /nfs/dbraw/zinc/17/27/88/1375172788.db2.gz IVHBIDXGVXQKCV-FUHWJXTLSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC(C)(C)C)C1 ZINC001132154166 1375174421 /nfs/dbraw/zinc/17/44/21/1375174421.db2.gz XMXXRXQKLNHESL-HZPDHXFCSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001132154166 1375174422 /nfs/dbraw/zinc/17/44/22/1375174422.db2.gz XMXXRXQKLNHESL-HZPDHXFCSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC(C)(C)C)C1 ZINC001132154166 1375174425 /nfs/dbraw/zinc/17/44/25/1375174425.db2.gz XMXXRXQKLNHESL-HZPDHXFCSA-N 2 1 325.541 3.122 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@H+]1CCCCCF ZINC001132153914 1375174477 /nfs/dbraw/zinc/17/44/77/1375174477.db2.gz VBBGHBVQMWLPLL-DOTOQJQBSA-N 2 1 346.450 3.057 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@H+]1CC1CCC1 ZINC001132202047 1375205630 /nfs/dbraw/zinc/20/56/30/1375205630.db2.gz BJQFQXIRZBOYHY-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132203344 1375206974 /nfs/dbraw/zinc/20/69/74/1375206974.db2.gz ORSAMPFBPSXWJE-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC2CCCC2)CC[N@H+]1C ZINC001226333242 1375241564 /nfs/dbraw/zinc/24/15/64/1375241564.db2.gz GNAHUCKNFDGWHN-VBSBHUPXSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CCCC1CCCC1 ZINC001132265824 1375256008 /nfs/dbraw/zinc/25/60/08/1375256008.db2.gz TYBKAMFMTMHOCE-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1CCC1CCCCCC1 ZINC001132277080 1375261401 /nfs/dbraw/zinc/26/14/01/1375261401.db2.gz AQIPEPXTDPXVIC-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132309576 1375287032 /nfs/dbraw/zinc/28/70/32/1375287032.db2.gz AAETUYJADPGPMD-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132309576 1375287036 /nfs/dbraw/zinc/28/70/36/1375287036.db2.gz AAETUYJADPGPMD-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132332005 1375312251 /nfs/dbraw/zinc/31/22/51/1375312251.db2.gz QWALPIPZGASLIR-QZTJIDSGSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132332005 1375312260 /nfs/dbraw/zinc/31/22/60/1375312260.db2.gz QWALPIPZGASLIR-QZTJIDSGSA-N 2 1 348.535 3.412 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC(C)C)C1 ZINC001132366245 1375332785 /nfs/dbraw/zinc/33/27/85/1375332785.db2.gz YYMRJQRTEGHZGE-ZWKOTPCHSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(C)C)C1 ZINC001132366245 1375332790 /nfs/dbraw/zinc/33/27/90/1375332790.db2.gz YYMRJQRTEGHZGE-ZWKOTPCHSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001132380742 1375340186 /nfs/dbraw/zinc/34/01/86/1375340186.db2.gz OQKORCLYWCHVOX-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001132411357 1375359920 /nfs/dbraw/zinc/35/99/20/1375359920.db2.gz YKIFHAYLUQYGMF-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132411357 1375359927 /nfs/dbraw/zinc/35/99/27/1375359927.db2.gz YKIFHAYLUQYGMF-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132411357 1375359930 /nfs/dbraw/zinc/35/99/30/1375359930.db2.gz YKIFHAYLUQYGMF-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CC1CCCCC1 ZINC001132433818 1375377948 /nfs/dbraw/zinc/37/79/48/1375377948.db2.gz QMOJCKLYLBXSJM-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](C/C=C/c2ccccc2)C1 ZINC001132435376 1375379715 /nfs/dbraw/zinc/37/97/15/1375379715.db2.gz CICVJJUAPRDVJE-CSXIPAGWSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](C/C=C/c2ccccc2)C1 ZINC001132435376 1375379722 /nfs/dbraw/zinc/37/97/22/1375379722.db2.gz CICVJJUAPRDVJE-CSXIPAGWSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](C/C=C/c2ccccc2)C1 ZINC001132435376 1375379725 /nfs/dbraw/zinc/37/97/25/1375379725.db2.gz CICVJJUAPRDVJE-CSXIPAGWSA-N 2 1 343.515 3.011 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132436997 1375380849 /nfs/dbraw/zinc/38/08/49/1375380849.db2.gz ORXXMZXXNHSSFU-JNVNVXKGSA-N 2 1 337.552 3.434 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CCCC2CCC2)C1 ZINC001132437047 1375381512 /nfs/dbraw/zinc/38/15/12/1375381512.db2.gz PMDSXTFEOQGZOK-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCC2CCC2)C1 ZINC001132437047 1375381517 /nfs/dbraw/zinc/38/15/17/1375381517.db2.gz PMDSXTFEOQGZOK-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC2CCC2)C1 ZINC001132437047 1375381522 /nfs/dbraw/zinc/38/15/22/1375381522.db2.gz PMDSXTFEOQGZOK-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccccc2CC)C1 ZINC001132440562 1375385795 /nfs/dbraw/zinc/38/57/95/1375385795.db2.gz CIBUAHHMCZLDEE-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2CC)C1 ZINC001132440562 1375385798 /nfs/dbraw/zinc/38/57/98/1375385798.db2.gz CIBUAHHMCZLDEE-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2CC)C1 ZINC001132440562 1375385803 /nfs/dbraw/zinc/38/58/03/1375385803.db2.gz CIBUAHHMCZLDEE-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001227090911 1375387645 /nfs/dbraw/zinc/38/76/45/1375387645.db2.gz IDIJUIBXSOWECT-AXTJNSDUSA-N 2 1 335.536 3.234 20 0 EGADMP Cc1cc(C)cc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132517335 1375435443 /nfs/dbraw/zinc/43/54/43/1375435443.db2.gz BCPVOVDXSTZIGM-ICSRJNTNSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cc(C)cc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132517335 1375435446 /nfs/dbraw/zinc/43/54/46/1375435446.db2.gz BCPVOVDXSTZIGM-ICSRJNTNSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cc(C)cc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132517335 1375435449 /nfs/dbraw/zinc/43/54/49/1375435449.db2.gz BCPVOVDXSTZIGM-ICSRJNTNSA-N 2 1 345.531 3.113 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001132738269 1375538106 /nfs/dbraw/zinc/53/81/06/1375538106.db2.gz XWEIHIVTGIGUQG-SFHVURJKSA-N 2 1 337.552 3.031 20 0 EGADMP O=C(NCC[NH2+]CCCC1CCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790607 1375565814 /nfs/dbraw/zinc/56/58/14/1375565814.db2.gz IOJCYTGBGCLNSP-FQEVSTJZSA-N 2 1 349.563 3.460 20 0 EGADMP C[C@H](C[NH+]1CCOCC1)Oc1ccc2ccccc2c1C[NH+](C)C ZINC001228442626 1375573054 /nfs/dbraw/zinc/57/30/54/1375573054.db2.gz UNZYLQIAJQOWJY-MRXNPFEDSA-N 2 1 328.456 3.001 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132888282 1375626670 /nfs/dbraw/zinc/62/66/70/1375626670.db2.gz LTJUOQWEISFQQZ-PWBPZBFBSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001228852532 1375694602 /nfs/dbraw/zinc/69/46/02/1375694602.db2.gz IVKRSHVUAJIHKN-LUNNPTDRSA-N 2 1 335.536 3.044 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)C ZINC001229126306 1375769507 /nfs/dbraw/zinc/76/95/07/1375769507.db2.gz GLTSQONRRKHKRM-RTBURBONSA-N 2 1 348.535 3.425 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001229496959 1375846603 /nfs/dbraw/zinc/84/66/03/1375846603.db2.gz ZKKUTANWPXNWHZ-KFKAGJAMSA-N 2 1 349.494 3.246 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(C)C)c1ccccc1 ZINC001229652276 1375871804 /nfs/dbraw/zinc/87/18/04/1375871804.db2.gz KIKSFJRSUXVENO-AQNXPRMDSA-N 2 1 345.531 3.352 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1)c1ccccc1 ZINC001229651979 1375871932 /nfs/dbraw/zinc/87/19/32/1375871932.db2.gz GIVPUZXTPNLCGL-VAMGGRTRSA-N 2 1 343.515 3.106 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001133263414 1375880279 /nfs/dbraw/zinc/88/02/79/1375880279.db2.gz UZKCBQHGGAGWBQ-ICSRJNTNSA-N 2 1 349.563 3.293 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133313298 1375915954 /nfs/dbraw/zinc/91/59/54/1375915954.db2.gz CQAPUTIPFHWPGM-SJLPKXTDSA-N 2 1 348.535 3.092 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](CCC(C)(C)C)CC1)c1ccccc1 ZINC001230373932 1376009220 /nfs/dbraw/zinc/00/92/20/1376009220.db2.gz FPMZIHRSKOSJQM-IBGZPJMESA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC2CC2)CC1)[NH+](CC)CC ZINC001230598259 1376093031 /nfs/dbraw/zinc/09/30/31/1376093031.db2.gz JEHDFUDFDPQRLH-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@H]2CCC[NH+]2CC2CCC2)CC1 ZINC001230617545 1376103631 /nfs/dbraw/zinc/10/36/31/1376103631.db2.gz CMTYFEVRDCWASZ-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001230617545 1376103635 /nfs/dbraw/zinc/10/36/35/1376103635.db2.gz CMTYFEVRDCWASZ-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001230617545 1376103638 /nfs/dbraw/zinc/10/36/38/1376103638.db2.gz CMTYFEVRDCWASZ-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628511 1376106222 /nfs/dbraw/zinc/10/62/22/1376106222.db2.gz ITSQDBDUTRTJBG-LJQANCHMSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001133845804 1376228405 /nfs/dbraw/zinc/22/84/05/1376228405.db2.gz NOARCNPKKORAML-DLBZAZTESA-N 2 1 345.531 3.093 20 0 EGADMP CCc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)s1 ZINC001231501059 1376252548 /nfs/dbraw/zinc/25/25/48/1376252548.db2.gz ZMRRGJJCGLRMMY-YLJYHZDGSA-N 2 1 348.556 3.491 20 0 EGADMP C[N@@H+](CC(=O)NCC[NH2+]Cc1cccc2ccccc21)CC(C)(C)C ZINC001133899670 1376256304 /nfs/dbraw/zinc/25/63/04/1376256304.db2.gz RIDXJBPONHUBRL-UHFFFAOYSA-N 2 1 341.499 3.024 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001133908253 1376260319 /nfs/dbraw/zinc/26/03/19/1376260319.db2.gz JEVQPPMMVWMAAH-QGZVFWFLSA-N 2 1 333.520 3.048 20 0 EGADMP OC1(c2ccccc2F)CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232014432 1376384674 /nfs/dbraw/zinc/38/46/74/1376384674.db2.gz IAEDQNSDNAORQI-UHFFFAOYSA-N 2 1 325.387 3.186 20 0 EGADMP C[C@@](O)(C1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1)C(F)(F)F ZINC001232015378 1376384778 /nfs/dbraw/zinc/38/47/78/1376384778.db2.gz FVHUJNDZFGYUPC-OAHLLOKOSA-N 2 1 327.350 3.088 20 0 EGADMP C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232019179 1376387014 /nfs/dbraw/zinc/38/70/14/1376387014.db2.gz XMNMFTBYLIZHJE-BBRMVZONSA-N 2 1 344.459 3.441 20 0 EGADMP Nc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)cn1 ZINC001232367388 1376451622 /nfs/dbraw/zinc/45/16/22/1376451622.db2.gz IFOMTWNWUBPWAC-UHFFFAOYSA-N 2 1 342.512 3.213 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)CCCN(C)C(=O)C2([NH+](C)C)CCC2)c1 ZINC001327212539 1388444891 /nfs/dbraw/zinc/44/48/91/1388444891.db2.gz HEBKDRRDYFHCAF-SFHVURJKSA-N 2 1 345.531 3.321 20 0 EGADMP C[N@H+](Cc1ccc(-n2cccn2)cc1Cl)CC1CC[NH+](C)CC1 ZINC001232595837 1376486436 /nfs/dbraw/zinc/48/64/36/1376486436.db2.gz HTPQELVMDCUZGL-UHFFFAOYSA-N 2 1 332.879 3.299 20 0 EGADMP c1nc2ccc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)cc2o1 ZINC001232940335 1376543225 /nfs/dbraw/zinc/54/32/25/1376543225.db2.gz HEWJCIVGAMFYLT-MOPGFXCFSA-N 2 1 348.450 3.177 20 0 EGADMP c1nc2ccc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)cc2o1 ZINC001232940335 1376543230 /nfs/dbraw/zinc/54/32/30/1376543230.db2.gz HEWJCIVGAMFYLT-MOPGFXCFSA-N 2 1 348.450 3.177 20 0 EGADMP c1nc2ccc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)cc2o1 ZINC001232940335 1376543234 /nfs/dbraw/zinc/54/32/34/1376543234.db2.gz HEWJCIVGAMFYLT-MOPGFXCFSA-N 2 1 348.450 3.177 20 0 EGADMP c1nc2ccc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)cc2o1 ZINC001232940335 1376543237 /nfs/dbraw/zinc/54/32/37/1376543237.db2.gz HEWJCIVGAMFYLT-MOPGFXCFSA-N 2 1 348.450 3.177 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001134766857 1376709794 /nfs/dbraw/zinc/70/97/94/1376709794.db2.gz OCIYSMJZOONMFK-UXHICEINSA-N 2 1 343.515 3.033 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001134767039 1376709810 /nfs/dbraw/zinc/70/98/10/1376709810.db2.gz QCPIJXJZXRKKSV-IBGZPJMESA-N 2 1 337.552 3.316 20 0 EGADMP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001134767309 1376710266 /nfs/dbraw/zinc/71/02/66/1376710266.db2.gz VOMAJRVNHPYVTR-MOPGFXCFSA-N 2 1 331.504 3.106 20 0 EGADMP CCCCCCOc1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235035243 1376832874 /nfs/dbraw/zinc/83/28/74/1376832874.db2.gz DZFQZNULJOMANU-TZIWHRDSSA-N 2 1 346.515 3.456 20 0 EGADMP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020644 1376850501 /nfs/dbraw/zinc/85/05/01/1376850501.db2.gz IONGVCLTJOVYLY-IRXDYDNUSA-N 2 1 348.535 3.215 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CCC(C)(C)C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135021686 1376852506 /nfs/dbraw/zinc/85/25/06/1376852506.db2.gz RRJDBDHIQPEJII-HZPDHXFCSA-N 2 1 348.535 3.071 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135028328 1376857929 /nfs/dbraw/zinc/85/79/29/1376857929.db2.gz FVZGNJUJBDNLRK-HOTGVXAUSA-N 2 1 348.535 3.281 20 0 EGADMP Oc1cccc2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)nc12 ZINC001235427742 1376870747 /nfs/dbraw/zinc/87/07/47/1376870747.db2.gz NBDPIRPETJJBMZ-SJORKVTESA-N 2 1 325.456 3.152 20 0 EGADMP COc1ncc(C2CC2)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430895 1376871530 /nfs/dbraw/zinc/87/15/30/1376871530.db2.gz YKNUQYNDFFGUKH-IAGOWNOFSA-N 2 1 329.488 3.179 20 0 EGADMP Clc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c2nccn2c1 ZINC001235431161 1376871672 /nfs/dbraw/zinc/87/16/72/1376871672.db2.gz LGUBLVZJOQPDIM-HUUCEWRRSA-N 2 1 332.879 3.199 20 0 EGADMP CCOc1cc(OC)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430152 1376872187 /nfs/dbraw/zinc/87/21/87/1376872187.db2.gz FZXQVTNSNBQDJW-IAGOWNOFSA-N 2 1 332.488 3.306 20 0 EGADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(C[C@@H]2CCCC[NH2+]2)C3)c1 ZINC001235630244 1376878455 /nfs/dbraw/zinc/87/84/55/1376878455.db2.gz WWSIOPFALIQEEP-PMACEKPBSA-N 2 1 331.479 3.008 20 0 EGADMP CC(C)(C)c1ccc(CN2CC[NH+](CC3(F)CC[NH2+]CC3)CC2)cc1 ZINC001235847038 1376900311 /nfs/dbraw/zinc/90/03/11/1376900311.db2.gz DHCBDULUVOZXEY-UHFFFAOYSA-N 2 1 347.522 3.193 20 0 EGADMP CC(C)(C)c1ccc(C[NH+]2CCN(CC3(F)CC[NH2+]CC3)CC2)cc1 ZINC001235847038 1376900337 /nfs/dbraw/zinc/90/03/37/1376900337.db2.gz DHCBDULUVOZXEY-UHFFFAOYSA-N 2 1 347.522 3.193 20 0 EGADMP c1ccc(CN(C[C@@H]2CC[NH2+]2)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001235947343 1376921542 /nfs/dbraw/zinc/92/15/42/1376921542.db2.gz AGTDUCWCLFAOFL-VXKWHMMOSA-N 2 1 335.495 3.125 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(CN2CC[NH2+]C[C@H]2c2cccs2)cc1 ZINC001236114832 1376933854 /nfs/dbraw/zinc/93/38/54/1376933854.db2.gz OPVSSZJMTBSGDV-SFHVURJKSA-N 2 1 338.480 3.389 20 0 EGADMP COc1ccccc1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236701362 1376961161 /nfs/dbraw/zinc/96/11/61/1376961161.db2.gz RFCVYYKTHOVDQY-IHPCNDPISA-N 3 1 345.531 3.157 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001246545210 1377052419 /nfs/dbraw/zinc/05/24/19/1377052419.db2.gz UWCAICCCSASITM-WMLDXEAASA-N 2 1 343.298 3.026 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001246543287 1377052522 /nfs/dbraw/zinc/05/25/22/1377052522.db2.gz MLCFWSIMUOPSJS-PBHICJAKSA-N 2 1 343.298 3.026 20 0 EGADMP CC[C@H]1C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246722084 1377053099 /nfs/dbraw/zinc/05/30/99/1377053099.db2.gz GXVFWTHEHVXXQF-LXZJYRNTSA-N 2 1 329.488 3.093 20 0 EGADMP Cc1cc(F)cc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c1 ZINC001247909810 1377065292 /nfs/dbraw/zinc/06/52/92/1377065292.db2.gz SNXOGXURGJKZLK-UHFFFAOYSA-N 2 1 344.434 3.116 20 0 EGADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1OC(F)(F)F ZINC001249987423 1377080952 /nfs/dbraw/zinc/08/09/52/1377080952.db2.gz VUOODMNLXYIOAF-UHFFFAOYSA-N 2 1 346.393 3.367 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135437158 1377097123 /nfs/dbraw/zinc/09/71/23/1377097123.db2.gz PMDJBRYZHDYLGC-UHFFFAOYSA-N 2 1 345.531 3.282 20 0 EGADMP COc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)CC2)c1OC ZINC001254508798 1377105338 /nfs/dbraw/zinc/10/53/38/1377105338.db2.gz MHJAQCXHDRMSDR-OCCSQVGLSA-N 2 1 326.868 3.492 20 0 EGADMP COc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)CC2)c1OC ZINC001254508798 1377105341 /nfs/dbraw/zinc/10/53/41/1377105341.db2.gz MHJAQCXHDRMSDR-OCCSQVGLSA-N 2 1 326.868 3.492 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135475483 1377110116 /nfs/dbraw/zinc/11/01/16/1377110116.db2.gz BDUFOHLMQRDGQC-JKSUJKDBSA-N 2 1 325.541 3.027 20 0 EGADMP CC(C)CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135476814 1377110653 /nfs/dbraw/zinc/11/06/53/1377110653.db2.gz MCGXTLBCCHOCGZ-SJORKVTESA-N 2 1 325.541 3.027 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135476391 1377110825 /nfs/dbraw/zinc/11/08/25/1377110825.db2.gz KFUWIGJPEYNNAM-JKSUJKDBSA-N 2 1 325.541 3.027 20 0 EGADMP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001135478091 1377111797 /nfs/dbraw/zinc/11/17/97/1377111797.db2.gz YXLFJNRVFJCTSO-MSOLQXFVSA-N 2 1 347.547 3.346 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1 ZINC001135586202 1377155500 /nfs/dbraw/zinc/15/55/00/1377155500.db2.gz YQMUGJFWUJEUFD-SJORKVTESA-N 2 1 342.487 3.080 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC(C)C ZINC001135680317 1377182223 /nfs/dbraw/zinc/18/22/23/1377182223.db2.gz UMEGAEDQCBVNGW-SJORKVTESA-N 2 1 336.524 3.281 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2cccc(C)c2)C1 ZINC001266116103 1377192684 /nfs/dbraw/zinc/19/26/84/1377192684.db2.gz FNQZKFAALOWVGU-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(C)c2)C1 ZINC001266116103 1377192685 /nfs/dbraw/zinc/19/26/85/1377192685.db2.gz FNQZKFAALOWVGU-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(C)c2)C1 ZINC001266116103 1377192687 /nfs/dbraw/zinc/19/26/87/1377192687.db2.gz FNQZKFAALOWVGU-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135860824 1377237870 /nfs/dbraw/zinc/23/78/70/1377237870.db2.gz HZMFIEDQOLBKGD-ROUUACIJSA-N 2 1 333.520 3.018 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135860707 1377238114 /nfs/dbraw/zinc/23/81/14/1377238114.db2.gz GOERGKNEHVDNFO-IAGOWNOFSA-N 2 1 339.568 3.418 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135860551 1377238289 /nfs/dbraw/zinc/23/82/89/1377238289.db2.gz DKVTUEDZAQWWTP-QZTJIDSGSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135980495 1377286186 /nfs/dbraw/zinc/28/61/86/1377286186.db2.gz PCAVEQJFNWGPFG-IRXDYDNUSA-N 2 1 339.568 3.418 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135980167 1377286221 /nfs/dbraw/zinc/28/62/21/1377286221.db2.gz LXDUMIRYLIHYLP-IAGOWNOFSA-N 2 1 345.531 3.279 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC/C=C/c1ccccc1 ZINC001135980479 1377286493 /nfs/dbraw/zinc/28/64/93/1377286493.db2.gz OSUXOVBGURDKHG-OBIQQPLYSA-N 2 1 345.531 3.305 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CCCC1 ZINC001135995990 1377292288 /nfs/dbraw/zinc/29/22/88/1377292288.db2.gz PENXELNBNBIXLS-DLBZAZTESA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001135997123 1377293137 /nfs/dbraw/zinc/29/31/37/1377293137.db2.gz YRYSUHFAWNDIDN-ZWKOTPCHSA-N 2 1 337.552 3.482 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001267603977 1377463698 /nfs/dbraw/zinc/46/36/98/1377463698.db2.gz BWMXCUQDMRKSRH-MJGOQNOKSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C)C[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001267603977 1377463702 /nfs/dbraw/zinc/46/37/02/1377463702.db2.gz BWMXCUQDMRKSRH-MJGOQNOKSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C)C[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001267603977 1377463704 /nfs/dbraw/zinc/46/37/04/1377463704.db2.gz BWMXCUQDMRKSRH-MJGOQNOKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2ccnc(C)c2)CC1 ZINC001137418191 1377544791 /nfs/dbraw/zinc/54/47/91/1377544791.db2.gz PGVHDSZSBIABNC-UHFFFAOYSA-N 2 1 332.536 3.020 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001269291525 1377548067 /nfs/dbraw/zinc/54/80/67/1377548067.db2.gz GPUGVTWRLYSEOE-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC001269291525 1377548068 /nfs/dbraw/zinc/54/80/68/1377548068.db2.gz GPUGVTWRLYSEOE-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC001269291525 1377548069 /nfs/dbraw/zinc/54/80/69/1377548069.db2.gz GPUGVTWRLYSEOE-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP COc1cccc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001137535354 1377562375 /nfs/dbraw/zinc/56/23/75/1377562375.db2.gz JEVSSFAXINLCKJ-RTBURBONSA-N 2 1 337.467 3.044 20 0 EGADMP CCOC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(-n3ccnc3C)cc2)C1 ZINC001138548252 1377739526 /nfs/dbraw/zinc/73/95/26/1377739526.db2.gz BXGRNASRNKEOLE-HXUWFJFHSA-N 2 1 341.455 3.346 20 0 EGADMP CCOC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138548252 1377739530 /nfs/dbraw/zinc/73/95/30/1377739530.db2.gz BXGRNASRNKEOLE-HXUWFJFHSA-N 2 1 341.455 3.346 20 0 EGADMP CCOC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138548252 1377739534 /nfs/dbraw/zinc/73/95/34/1377739534.db2.gz BXGRNASRNKEOLE-HXUWFJFHSA-N 2 1 341.455 3.346 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)cc1 ZINC001138549726 1377740741 /nfs/dbraw/zinc/74/07/41/1377740741.db2.gz CKIYYECKYQGRGB-IBGZPJMESA-N 2 1 334.423 3.229 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)cc1 ZINC001138549726 1377740743 /nfs/dbraw/zinc/74/07/43/1377740743.db2.gz CKIYYECKYQGRGB-IBGZPJMESA-N 2 1 334.423 3.229 20 0 EGADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(OC(F)F)c(OC)c1 ZINC001138555875 1377741666 /nfs/dbraw/zinc/74/16/66/1377741666.db2.gz VRJFJSXRUCXYJG-UHFFFAOYSA-N 2 1 325.359 3.015 20 0 EGADMP Cn1cc(C[N@H+](C)CCC[NH+](C)C)c2cc(Br)ccc21 ZINC001139216963 1377853722 /nfs/dbraw/zinc/85/37/22/1377853722.db2.gz XWEHUSIPBXFRNP-UHFFFAOYSA-N 2 1 338.293 3.324 20 0 EGADMP Cn1cc(C[N@@H+](C)CCC[NH+](C)C)c2cc(Br)ccc21 ZINC001139216963 1377853728 /nfs/dbraw/zinc/85/37/28/1377853728.db2.gz XWEHUSIPBXFRNP-UHFFFAOYSA-N 2 1 338.293 3.324 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5nonc5c4)C[C@H]3C2)cc1 ZINC001139220515 1377854672 /nfs/dbraw/zinc/85/46/72/1377854672.db2.gz MISRCFLQUNEYAG-RTBURBONSA-N 2 1 348.450 3.095 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3c3ccccc3)s2)CC1 ZINC001139324935 1377868646 /nfs/dbraw/zinc/86/86/46/1377868646.db2.gz VHDCFAWDWIDZKW-GOSISDBHSA-N 2 1 342.512 3.232 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3c3ccccc3)s2)CC1 ZINC001139324935 1377868648 /nfs/dbraw/zinc/86/86/48/1377868648.db2.gz VHDCFAWDWIDZKW-GOSISDBHSA-N 2 1 342.512 3.232 20 0 EGADMP Cn1ncc2cc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc21 ZINC001139951523 1377981365 /nfs/dbraw/zinc/98/13/65/1377981365.db2.gz YGBUOGIGQLTVFW-OYRHEFFESA-N 2 1 346.478 3.137 20 0 EGADMP Cn1ncc2cc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc21 ZINC001139951523 1377981366 /nfs/dbraw/zinc/98/13/66/1377981366.db2.gz YGBUOGIGQLTVFW-OYRHEFFESA-N 2 1 346.478 3.137 20 0 EGADMP Cn1ncc2cc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)ccc21 ZINC001139951523 1377981367 /nfs/dbraw/zinc/98/13/67/1377981367.db2.gz YGBUOGIGQLTVFW-OYRHEFFESA-N 2 1 346.478 3.137 20 0 EGADMP Cn1ncc2cc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)ccc21 ZINC001139951523 1377981368 /nfs/dbraw/zinc/98/13/68/1377981368.db2.gz YGBUOGIGQLTVFW-OYRHEFFESA-N 2 1 346.478 3.137 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5n[nH]cc5c4)C[C@H]3C2)cc1 ZINC001140385542 1378055283 /nfs/dbraw/zinc/05/52/83/1378055283.db2.gz FFAFQQNRVDRJDI-NHCUHLMSSA-N 2 1 346.478 3.435 20 0 EGADMP Cn1cnc2ccc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc21 ZINC001140746296 1378129170 /nfs/dbraw/zinc/12/91/70/1378129170.db2.gz HUSLUFZDEREUKE-PMACEKPBSA-N 2 1 346.478 3.137 20 0 EGADMP NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140804744 1378143195 /nfs/dbraw/zinc/14/31/95/1378143195.db2.gz CNFCDLACXLIUJI-UXHICEINSA-N 2 1 348.450 3.187 20 0 EGADMP NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140804744 1378143196 /nfs/dbraw/zinc/14/31/96/1378143196.db2.gz CNFCDLACXLIUJI-UXHICEINSA-N 2 1 348.450 3.187 20 0 EGADMP Cc1cccc(Cl)c1C[N@@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001275634030 1378149263 /nfs/dbraw/zinc/14/92/63/1378149263.db2.gz IBXIULXQVKYDMR-UHFFFAOYSA-N 2 1 335.923 3.108 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)CC1 ZINC001276491953 1378176078 /nfs/dbraw/zinc/17/60/78/1378176078.db2.gz QJESNWDIYOILPC-UHFFFAOYSA-N 3 1 344.547 3.035 20 0 EGADMP Cc1csc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001276777409 1378187916 /nfs/dbraw/zinc/18/79/16/1378187916.db2.gz TXWZKJXSPGZQNH-UHFFFAOYSA-N 2 1 330.501 3.268 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](C)CC2)CCC1(F)F ZINC001140969939 1378195564 /nfs/dbraw/zinc/19/55/64/1378195564.db2.gz AFHMXHPGIRQFGB-INIZCTEOSA-N 2 1 337.458 3.306 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2c2nccs2)CC1 ZINC001140971371 1378196550 /nfs/dbraw/zinc/19/65/50/1378196550.db2.gz SRSPBYTYCQHAKU-GOSISDBHSA-N 2 1 342.512 3.232 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2c2nccs2)CC1 ZINC001140971371 1378196551 /nfs/dbraw/zinc/19/65/51/1378196551.db2.gz SRSPBYTYCQHAKU-GOSISDBHSA-N 2 1 342.512 3.232 20 0 EGADMP Oc1cccc2ccc(C[N@H+]3CCC[C@@H](Oc4ccncc4)C3)nc12 ZINC001141026032 1378212045 /nfs/dbraw/zinc/21/20/45/1378212045.db2.gz ZYFGPOBLNXPLNJ-GOSISDBHSA-N 2 1 335.407 3.379 20 0 EGADMP Oc1cccc2ccc(CN3CCC[C@@H](Oc4ccncc4)C3)nc12 ZINC001141026032 1378212050 /nfs/dbraw/zinc/21/20/50/1378212050.db2.gz ZYFGPOBLNXPLNJ-GOSISDBHSA-N 2 1 335.407 3.379 20 0 EGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccnc(-c4ccc(F)cc4)c3)C2)C1 ZINC001141120267 1378243783 /nfs/dbraw/zinc/24/37/83/1378243783.db2.gz NJSLEICKKCAYQO-FQEVSTJZSA-N 2 1 325.431 3.415 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccnc(-c4ccc(F)cc4)c3)C2)C1 ZINC001141120267 1378243787 /nfs/dbraw/zinc/24/37/87/1378243787.db2.gz NJSLEICKKCAYQO-FQEVSTJZSA-N 2 1 325.431 3.415 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccnc(-c4ccc(F)cc4)c3)C2)C1 ZINC001141120267 1378243791 /nfs/dbraw/zinc/24/37/91/1378243791.db2.gz NJSLEICKKCAYQO-FQEVSTJZSA-N 2 1 325.431 3.415 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccnc(-c4ccc(F)cc4)c3)C2)C1 ZINC001141120267 1378243796 /nfs/dbraw/zinc/24/37/96/1378243796.db2.gz NJSLEICKKCAYQO-FQEVSTJZSA-N 2 1 325.431 3.415 20 0 EGADMP CCOC(=O)CCC[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277881508 1378249327 /nfs/dbraw/zinc/24/93/27/1378249327.db2.gz XYOIEANQSSKGKM-UHFFFAOYSA-N 2 1 347.503 3.036 20 0 EGADMP CCc1ccccc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001141226790 1378276598 /nfs/dbraw/zinc/27/65/98/1378276598.db2.gz HSDIUWHTYYEPRJ-YADHBBJMSA-N 2 1 342.527 3.429 20 0 EGADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001141548859 1378343330 /nfs/dbraw/zinc/34/33/30/1378343330.db2.gz LURLITLBKNUVJS-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001280770502 1378372558 /nfs/dbraw/zinc/37/25/58/1378372558.db2.gz QYGFMAOYSRJMEB-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001280770502 1378372561 /nfs/dbraw/zinc/37/25/61/1378372561.db2.gz QYGFMAOYSRJMEB-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001280770502 1378372564 /nfs/dbraw/zinc/37/25/64/1378372564.db2.gz QYGFMAOYSRJMEB-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP C[C@H]1CCC[C@](CNC(=O)CC[N@@H+](C)C2CCCCC2)([NH+](C)C)C1 ZINC001142065130 1378409833 /nfs/dbraw/zinc/40/98/33/1378409833.db2.gz LJPWVMICILBOJT-PXNSSMCTSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCC(CC2CC[NH+](Cc3ccc(Cl)nn3)CC2)CC1 ZINC001142076524 1378411082 /nfs/dbraw/zinc/41/10/82/1378411082.db2.gz MLAZFKLRCDDIKB-UHFFFAOYSA-N 2 1 336.911 3.464 20 0 EGADMP CCC[N@@H+]1Cc2ccc(CNC(=O)CCCn3cc[nH+]c3C)cc2C1 ZINC001281298379 1378413442 /nfs/dbraw/zinc/41/34/42/1378413442.db2.gz KGIMDPRXGRGBMI-UHFFFAOYSA-N 2 1 340.471 3.014 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)CCCn3cc[nH+]c3C)cc2C1 ZINC001281298379 1378413443 /nfs/dbraw/zinc/41/34/43/1378413443.db2.gz KGIMDPRXGRGBMI-UHFFFAOYSA-N 2 1 340.471 3.014 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)CCC(C)(C)C ZINC001143140076 1378546405 /nfs/dbraw/zinc/54/64/05/1378546405.db2.gz ICJPONZGKZZWFC-ZWKOTPCHSA-N 2 1 339.568 3.323 20 0 EGADMP Cc1cc(F)cc(CN2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001143584884 1378621195 /nfs/dbraw/zinc/62/11/95/1378621195.db2.gz BIOBOWUBEXLYMT-HXUWFJFHSA-N 2 1 334.479 3.457 20 0 EGADMP c1cc2ccc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)nc2[nH]1 ZINC001144179483 1378694292 /nfs/dbraw/zinc/69/42/92/1378694292.db2.gz GYHDJAHDPMCZOP-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP c1cc2ccc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)nc2[nH]1 ZINC001144179483 1378694294 /nfs/dbraw/zinc/69/42/94/1378694294.db2.gz GYHDJAHDPMCZOP-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP c1cc2ccc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)nc2[nH]1 ZINC001144179483 1378694298 /nfs/dbraw/zinc/69/42/98/1378694298.db2.gz GYHDJAHDPMCZOP-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP c1cc2ccc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)nc2[nH]1 ZINC001144179483 1378694300 /nfs/dbraw/zinc/69/43/00/1378694300.db2.gz GYHDJAHDPMCZOP-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP c1[nH+]c(CN2CCCC3(C[NH+](Cc4ccccc4)C3)C2)c2ccccn12 ZINC001144627839 1378753165 /nfs/dbraw/zinc/75/31/65/1378753165.db2.gz YEIPFQLGNHQGCC-UHFFFAOYSA-N 2 1 346.478 3.432 20 0 EGADMP CN(Cc1[nH+]cn2ccccc12)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001144627654 1378753254 /nfs/dbraw/zinc/75/32/54/1378753254.db2.gz QUGFZIFVBQMHDQ-IBGZPJMESA-N 2 1 334.467 3.431 20 0 EGADMP CN(Cc1[nH+]cn2ccccc12)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001144627654 1378753255 /nfs/dbraw/zinc/75/32/55/1378753255.db2.gz QUGFZIFVBQMHDQ-IBGZPJMESA-N 2 1 334.467 3.431 20 0 EGADMP CC[C@@H](C(=O)N1CCC([N@@H+](C)CCCC(C)(C)C)CC1)[NH+](C)C ZINC001283341155 1378824921 /nfs/dbraw/zinc/82/49/21/1378824921.db2.gz VLVOPGNLSCIBQM-KRWDZBQOSA-N 2 1 325.541 3.076 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC001146718859 1378907005 /nfs/dbraw/zinc/90/70/05/1378907005.db2.gz ILJYFMKRMHXNSU-LBPRGKRZSA-N 2 1 346.302 3.102 20 0 EGADMP CC(C)n1ncc2c1[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCC2 ZINC001327680571 1388577302 /nfs/dbraw/zinc/57/73/02/1388577302.db2.gz PHVROMBWYKEZGS-RTBURBONSA-N 2 1 346.519 3.074 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(CF)cc1 ZINC001147359532 1379009500 /nfs/dbraw/zinc/00/95/00/1379009500.db2.gz RCWKXRNKZUOOAR-LJQANCHMSA-N 2 1 349.494 3.017 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH2+]C[C@@H](C)CC(C)C)c1ccccc1 ZINC001147458642 1379025333 /nfs/dbraw/zinc/02/53/33/1379025333.db2.gz MDVHWPJFKXJIID-PKOBYXMFSA-N 2 1 333.520 3.067 20 0 EGADMP CC(C)CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001147840940 1379089368 /nfs/dbraw/zinc/08/93/68/1379089368.db2.gz GLKUHYISKFNPIK-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001147840940 1379089369 /nfs/dbraw/zinc/08/93/69/1379089369.db2.gz GLKUHYISKFNPIK-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001147840940 1379089370 /nfs/dbraw/zinc/08/93/70/1379089370.db2.gz GLKUHYISKFNPIK-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001147893536 1379098222 /nfs/dbraw/zinc/09/82/22/1379098222.db2.gz RFUKKAGSLULYGL-IRXDYDNUSA-N 2 1 345.531 3.093 20 0 EGADMP CC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148391974 1379163645 /nfs/dbraw/zinc/16/36/45/1379163645.db2.gz ZIYSVASKOTUJQQ-HMECNJMJSA-N 2 1 347.547 3.142 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001148418039 1379168438 /nfs/dbraw/zinc/16/84/38/1379168438.db2.gz ABZNCWNHRWILFY-MOPGFXCFSA-N 2 1 347.547 3.118 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC001148418039 1379168441 /nfs/dbraw/zinc/16/84/41/1379168441.db2.gz ABZNCWNHRWILFY-MOPGFXCFSA-N 2 1 347.547 3.118 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001148418039 1379168443 /nfs/dbraw/zinc/16/84/43/1379168443.db2.gz ABZNCWNHRWILFY-MOPGFXCFSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CCCC1)C2)C(C)C ZINC001148477272 1379181389 /nfs/dbraw/zinc/18/13/89/1379181389.db2.gz OYDUKOCTULJYPC-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC1CCC(C)(C)CC1)C2 ZINC001148548248 1379208448 /nfs/dbraw/zinc/20/84/48/1379208448.db2.gz OKBQVYMJEPMQSD-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CC1CCC(C)(C)CC1)C2 ZINC001148548248 1379208451 /nfs/dbraw/zinc/20/84/51/1379208451.db2.gz OKBQVYMJEPMQSD-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CC1CCC(C)(C)CC1)C2 ZINC001148548248 1379208456 /nfs/dbraw/zinc/20/84/56/1379208456.db2.gz OKBQVYMJEPMQSD-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)cc(C)c2)[C@@H]1C ZINC001284152561 1379548675 /nfs/dbraw/zinc/54/86/75/1379548675.db2.gz IIDMBOXNATZAJR-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)cc(C)c2)[C@@H]1C ZINC001284152561 1379548678 /nfs/dbraw/zinc/54/86/78/1379548678.db2.gz IIDMBOXNATZAJR-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2)[C@@H]1C ZINC001284152561 1379548682 /nfs/dbraw/zinc/54/86/82/1379548682.db2.gz IIDMBOXNATZAJR-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2c(C)cccc2C)C1 ZINC001284244535 1379628588 /nfs/dbraw/zinc/62/85/88/1379628588.db2.gz RISWMCSWLUFPNM-MOPGFXCFSA-N 2 1 345.531 3.020 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC2=CCCCC2)CC[NH+]1C ZINC001153501639 1380086041 /nfs/dbraw/zinc/08/60/41/1380086041.db2.gz PDGMKFKMLNNQDE-NZSAHSFTSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC2=CCCCC2)CC[N@H+]1C ZINC001153501639 1380086039 /nfs/dbraw/zinc/08/60/39/1380086039.db2.gz PDGMKFKMLNNQDE-NZSAHSFTSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC2=CCCCC2)CC[NH+]1C ZINC001153501639 1380086040 /nfs/dbraw/zinc/08/60/40/1380086040.db2.gz PDGMKFKMLNNQDE-NZSAHSFTSA-N 2 1 335.536 3.044 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677621 1380113824 /nfs/dbraw/zinc/11/38/24/1380113824.db2.gz JTDOLTQBUYKOOY-CQSZACIVSA-N 2 1 325.522 3.050 20 0 EGADMP CC[N@@H+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153850846 1380143903 /nfs/dbraw/zinc/14/39/03/1380143903.db2.gz IZDRJHGZDUCLKG-ZPHJMFTNSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153850846 1380143906 /nfs/dbraw/zinc/14/39/06/1380143906.db2.gz IZDRJHGZDUCLKG-ZPHJMFTNSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153850846 1380143908 /nfs/dbraw/zinc/14/39/08/1380143908.db2.gz IZDRJHGZDUCLKG-ZPHJMFTNSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](CCC(C)(C)C)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153879512 1380148207 /nfs/dbraw/zinc/14/82/07/1380148207.db2.gz HUAYKRAQHOADKV-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153879512 1380148203 /nfs/dbraw/zinc/14/82/03/1380148203.db2.gz HUAYKRAQHOADKV-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCC(C)(C)C)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153879512 1380148205 /nfs/dbraw/zinc/14/82/05/1380148205.db2.gz HUAYKRAQHOADKV-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(Cl)cc1)[NH+](C)C ZINC001153998578 1380175051 /nfs/dbraw/zinc/17/50/51/1380175051.db2.gz XTANHDICFJWFKL-RHSMWYFYSA-N 2 1 339.911 3.007 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001154083244 1380202127 /nfs/dbraw/zinc/20/21/27/1380202127.db2.gz NLTGOGMHNWYVDO-QGZVFWFLSA-N 2 1 348.535 3.171 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116539 1380211880 /nfs/dbraw/zinc/21/18/80/1380211880.db2.gz PAFCBUOEBSDXSK-OAHLLOKOSA-N 2 1 330.476 3.273 20 0 EGADMP CC[N@@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844302 1380362929 /nfs/dbraw/zinc/36/29/29/1380362929.db2.gz AMZNVVZBINLPFP-HCXYKTFWSA-N 2 1 339.568 3.226 20 0 EGADMP CC[NH+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001154844302 1380362932 /nfs/dbraw/zinc/36/29/32/1380362932.db2.gz AMZNVVZBINLPFP-HCXYKTFWSA-N 2 1 339.568 3.226 20 0 EGADMP CC[NH+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001154844302 1380362933 /nfs/dbraw/zinc/36/29/33/1380362933.db2.gz AMZNVVZBINLPFP-HCXYKTFWSA-N 2 1 339.568 3.226 20 0 EGADMP CC[N@@H+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226114 1380426281 /nfs/dbraw/zinc/42/62/81/1380426281.db2.gz HMCARMIOBGSUDZ-RBAMYAFPSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155226114 1380426282 /nfs/dbraw/zinc/42/62/82/1380426282.db2.gz HMCARMIOBGSUDZ-RBAMYAFPSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155226114 1380426283 /nfs/dbraw/zinc/42/62/83/1380426283.db2.gz HMCARMIOBGSUDZ-RBAMYAFPSA-N 2 1 343.515 3.011 20 0 EGADMP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155254838 1380429509 /nfs/dbraw/zinc/42/95/09/1380429509.db2.gz GIABJDDUGRWWKE-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001155254838 1380429510 /nfs/dbraw/zinc/42/95/10/1380429510.db2.gz GIABJDDUGRWWKE-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001155254838 1380429511 /nfs/dbraw/zinc/42/95/11/1380429511.db2.gz GIABJDDUGRWWKE-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155283418 1380433431 /nfs/dbraw/zinc/43/34/31/1380433431.db2.gz SBXWZLRMVDUXHO-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001155283418 1380433432 /nfs/dbraw/zinc/43/34/32/1380433432.db2.gz SBXWZLRMVDUXHO-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001155283418 1380433433 /nfs/dbraw/zinc/43/34/33/1380433433.db2.gz SBXWZLRMVDUXHO-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131346 1380529250 /nfs/dbraw/zinc/52/92/50/1380529250.db2.gz LTSPSJHKJJVBQY-QGZVFWFLSA-N 2 1 339.568 3.370 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C/C=C/Cl ZINC001156306967 1380554997 /nfs/dbraw/zinc/55/49/97/1380554997.db2.gz YIPXUFHXBXEEEJ-IEPXPHTDSA-N 2 1 343.943 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)C/C=C/Cl ZINC001156306967 1380554998 /nfs/dbraw/zinc/55/49/98/1380554998.db2.gz YIPXUFHXBXEEEJ-IEPXPHTDSA-N 2 1 343.943 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C/Cl ZINC001156306967 1380554999 /nfs/dbraw/zinc/55/49/99/1380554999.db2.gz YIPXUFHXBXEEEJ-IEPXPHTDSA-N 2 1 343.943 3.220 20 0 EGADMP CC[N@@H+](Cc1csc(C)c1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475403 1380581314 /nfs/dbraw/zinc/58/13/14/1380581314.db2.gz DDKFSUBSAUDLJJ-OAHLLOKOSA-N 2 1 339.549 3.115 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)C/C=C/c1ccccc1 ZINC001156510134 1380586050 /nfs/dbraw/zinc/58/60/50/1380586050.db2.gz JCGZTPQXOCFGRH-YFPIXMDGSA-N 2 1 345.531 3.258 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)C/C=C/c1ccccc1 ZINC001156510134 1380586051 /nfs/dbraw/zinc/58/60/51/1380586051.db2.gz JCGZTPQXOCFGRH-YFPIXMDGSA-N 2 1 345.531 3.258 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)C/C=C/c1ccccc1 ZINC001156510134 1380586053 /nfs/dbraw/zinc/58/60/53/1380586053.db2.gz JCGZTPQXOCFGRH-YFPIXMDGSA-N 2 1 345.531 3.258 20 0 EGADMP CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156961442 1380738187 /nfs/dbraw/zinc/73/81/87/1380738187.db2.gz RGDQKBWSDWJAQI-LJQANCHMSA-N 2 1 345.531 3.279 20 0 EGADMP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113409 1380778667 /nfs/dbraw/zinc/77/86/67/1380778667.db2.gz KBKCYOWNFQRUMT-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157113409 1380778673 /nfs/dbraw/zinc/77/86/73/1380778673.db2.gz KBKCYOWNFQRUMT-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157113409 1380778680 /nfs/dbraw/zinc/77/86/80/1380778680.db2.gz KBKCYOWNFQRUMT-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157255046 1380825295 /nfs/dbraw/zinc/82/52/95/1380825295.db2.gz AAIZOHBXHGYCOB-GOSISDBHSA-N 2 1 343.531 3.219 20 0 EGADMP CCC[NH+]1C[C@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)C[C@@H]2C1 ZINC001157693463 1381004889 /nfs/dbraw/zinc/00/48/89/1381004889.db2.gz ZUSJSDWKBJHECH-HOTGVXAUSA-N 2 1 339.487 3.324 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157887366 1381061227 /nfs/dbraw/zinc/06/12/27/1381061227.db2.gz TYZLIYYJTJJDQC-IEBWSBKVSA-N 2 1 331.504 3.025 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158039567 1381109478 /nfs/dbraw/zinc/10/94/78/1381109478.db2.gz SIUZPZNHYFVKIK-WOJBJXKFSA-N 2 1 349.563 3.317 20 0 EGADMP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001158089768 1381125157 /nfs/dbraw/zinc/12/51/57/1381125157.db2.gz AJYGCWMVOSZJCG-ZMBJWTFHSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001158089768 1381125161 /nfs/dbraw/zinc/12/51/61/1381125161.db2.gz AJYGCWMVOSZJCG-ZMBJWTFHSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001158089768 1381125168 /nfs/dbraw/zinc/12/51/68/1381125168.db2.gz AJYGCWMVOSZJCG-ZMBJWTFHSA-N 2 1 335.536 3.140 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CCCC1CCC1 ZINC001328254585 1388700727 /nfs/dbraw/zinc/70/07/27/1388700727.db2.gz DZDXZXKMYBCWJP-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1c(C(=O)N2CCCC[C@@H]2C[N@H+](C)CC(C)C)ccc2c[nH+]cn21 ZINC001158165041 1381146448 /nfs/dbraw/zinc/14/64/48/1381146448.db2.gz PQAJLFGJXHDHKE-GOSISDBHSA-N 2 1 342.487 3.225 20 0 EGADMP Cc1c[nH+]c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)nc1N1CCCC1 ZINC001158260118 1381176349 /nfs/dbraw/zinc/17/63/49/1381176349.db2.gz VGDAACDKPQJAAR-DNVCBOLYSA-N 2 1 331.508 3.341 20 0 EGADMP Cc1nc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC001158265180 1381177381 /nfs/dbraw/zinc/17/73/81/1381177381.db2.gz FSXQSQTUTFHNFK-HNAYVOBHSA-N 2 1 331.508 3.341 20 0 EGADMP Cc1cccc(C[N@H+](C)C[C@H]2CCCCN2C(=O)CCC[NH+](C)C)c1 ZINC001158438333 1381247099 /nfs/dbraw/zinc/24/70/99/1381247099.db2.gz VAQCGTWONMSCMV-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158437944 1381247344 /nfs/dbraw/zinc/24/73/44/1381247344.db2.gz HGIAXRJYHULEAA-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CCc1cccc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001158445755 1381247950 /nfs/dbraw/zinc/24/79/50/1381247950.db2.gz POAMBQIIUBHWNE-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158445616 1381248000 /nfs/dbraw/zinc/24/80/00/1381248000.db2.gz MICUPWURGCUADI-GOSISDBHSA-N 2 1 325.541 3.221 20 0 EGADMP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1=CCCCC1 ZINC001158450812 1381249153 /nfs/dbraw/zinc/24/91/53/1381249153.db2.gz ZDSRGMUMDIBAPN-LJQANCHMSA-N 2 1 335.536 3.142 20 0 EGADMP C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1CCC1CCCC1 ZINC001328280698 1388711386 /nfs/dbraw/zinc/71/13/86/1388711386.db2.gz AEAWTLQRUBQCIO-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001328285077 1388715188 /nfs/dbraw/zinc/71/51/88/1388715188.db2.gz QLMVCTXPJSPDEY-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CCCC(C)(C)C ZINC001158704147 1381360329 /nfs/dbraw/zinc/36/03/29/1381360329.db2.gz DTVSALFNBDQGHU-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC(C)(C)C ZINC001158704147 1381360346 /nfs/dbraw/zinc/36/03/46/1381360346.db2.gz DTVSALFNBDQGHU-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001158704147 1381360353 /nfs/dbraw/zinc/36/03/53/1381360353.db2.gz DTVSALFNBDQGHU-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158744179 1381378590 /nfs/dbraw/zinc/37/85/90/1381378590.db2.gz GDXYBDGKMXEVMM-ZMBJWTFHSA-N 2 1 347.547 3.142 20 0 EGADMP C[N@@H+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158750243 1381382998 /nfs/dbraw/zinc/38/29/98/1381382998.db2.gz HGOHGMAJOKZVGQ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001158750243 1381383007 /nfs/dbraw/zinc/38/30/07/1381383007.db2.gz HGOHGMAJOKZVGQ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001158750243 1381383015 /nfs/dbraw/zinc/38/30/15/1381383015.db2.gz HGOHGMAJOKZVGQ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)(C)C ZINC001158787652 1381400879 /nfs/dbraw/zinc/40/08/79/1381400879.db2.gz YGQGGNSJHRKBMK-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)C[C@H](C)CC ZINC001158781774 1381396283 /nfs/dbraw/zinc/39/62/83/1381396283.db2.gz RRWIXEFZPVBWGU-QZTJIDSGSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@H](C)CC ZINC001158781774 1381396286 /nfs/dbraw/zinc/39/62/86/1381396286.db2.gz RRWIXEFZPVBWGU-QZTJIDSGSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)C[C@H](C)CC ZINC001158781774 1381396292 /nfs/dbraw/zinc/39/62/92/1381396292.db2.gz RRWIXEFZPVBWGU-QZTJIDSGSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)(C)C ZINC001158787652 1381400883 /nfs/dbraw/zinc/40/08/83/1381400883.db2.gz YGQGGNSJHRKBMK-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CCC(C)(C)C ZINC001158787652 1381400873 /nfs/dbraw/zinc/40/08/73/1381400873.db2.gz YGQGGNSJHRKBMK-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP C[N@@H+](Cc1ccc(N2CCC3(CC2)[NH2+]Cc2ccccc23)nc1)C1CC1 ZINC001159031254 1381522074 /nfs/dbraw/zinc/52/20/74/1381522074.db2.gz JEDMIWRNHKDWDU-UHFFFAOYSA-N 2 1 348.494 3.275 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1C ZINC001159334271 1381767868 /nfs/dbraw/zinc/76/78/68/1381767868.db2.gz BNVOIZGFFBCHKX-IEBWSBKVSA-N 2 1 331.504 3.026 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC001159335173 1381767893 /nfs/dbraw/zinc/76/78/93/1381767893.db2.gz UHKUKUXVQHOINJ-PMACEKPBSA-N 2 1 343.515 3.034 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC001159334715 1381768208 /nfs/dbraw/zinc/76/82/08/1381768208.db2.gz GFJQLANJJIDPGD-OALUTQOASA-N 2 1 349.494 3.247 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC2CCCCCC2)C1 ZINC001159838656 1381916956 /nfs/dbraw/zinc/91/69/56/1381916956.db2.gz MTMPBHKQOSVQCR-LJQANCHMSA-N 2 1 337.552 3.031 20 0 EGADMP C[N@@H+](Cc1ccc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)nc1)C1CC1 ZINC001159953486 1381948488 /nfs/dbraw/zinc/94/84/88/1381948488.db2.gz UHVJOKUCKNORIT-MRXNPFEDSA-N 2 1 346.478 3.436 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1cc(F)ccc1N1CCC([NH3+])CC1 ZINC001160085430 1381992943 /nfs/dbraw/zinc/99/29/43/1381992943.db2.gz ZIRDAOKXMDMRQT-UHFFFAOYSA-N 2 1 343.450 3.266 20 0 EGADMP CC(C)(C(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1)[NH+]1CCCCC1 ZINC001160130962 1382007243 /nfs/dbraw/zinc/00/72/43/1382007243.db2.gz AMULIASBKXJALU-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131958 1382009725 /nfs/dbraw/zinc/00/97/25/1382009725.db2.gz YCWDKJBKAZZKPM-WOJBJXKFSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131958 1382009728 /nfs/dbraw/zinc/00/97/28/1382009728.db2.gz YCWDKJBKAZZKPM-WOJBJXKFSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001160131958 1382009730 /nfs/dbraw/zinc/00/97/30/1382009730.db2.gz YCWDKJBKAZZKPM-WOJBJXKFSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001160273805 1382058478 /nfs/dbraw/zinc/05/84/78/1382058478.db2.gz OGLNLVLNJGEUBI-XGHQVWIYSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](C[C@@H](C)CC)CC1 ZINC001160285496 1382061286 /nfs/dbraw/zinc/06/12/86/1382061286.db2.gz DWHARUZBTQDTKU-PKOBYXMFSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](C[C@@H](C)CC)CC1 ZINC001160285496 1382061291 /nfs/dbraw/zinc/06/12/91/1382061291.db2.gz DWHARUZBTQDTKU-PKOBYXMFSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](C[C@@H](C)CC)CC1 ZINC001160285496 1382061296 /nfs/dbraw/zinc/06/12/96/1382061296.db2.gz DWHARUZBTQDTKU-PKOBYXMFSA-N 2 1 335.536 3.045 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001160477968 1382117519 /nfs/dbraw/zinc/11/75/19/1382117519.db2.gz UZMMVXAUJGAWKZ-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001160477968 1382117521 /nfs/dbraw/zinc/11/75/21/1382117521.db2.gz UZMMVXAUJGAWKZ-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001160477968 1382117523 /nfs/dbraw/zinc/11/75/23/1382117523.db2.gz UZMMVXAUJGAWKZ-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP [NH3+]C[C@]1(Nc2nc(Cl)cc(C3CCCCC3)n2)C[NH+]2CCC1CC2 ZINC001160521076 1382130746 /nfs/dbraw/zinc/13/07/46/1382130746.db2.gz VMCWZWSIIRGQOU-SFHVURJKSA-N 2 1 349.910 3.013 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160593227 1382149247 /nfs/dbraw/zinc/14/92/47/1382149247.db2.gz MWXZVVIMRDGHFU-UHFFFAOYSA-N 2 1 347.547 3.334 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161036299 1382278947 /nfs/dbraw/zinc/27/89/47/1382278947.db2.gz HNNROGKREPLXRV-GOSISDBHSA-N 2 1 343.515 3.228 20 0 EGADMP C[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CCCC3CCC3)CC2)CC1 ZINC001161102109 1382297811 /nfs/dbraw/zinc/29/78/11/1382297811.db2.gz SPKPRSKBIZTQKH-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001161205786 1382340904 /nfs/dbraw/zinc/34/09/04/1382340904.db2.gz GYHOZTIUVWXDNN-HKUYNNGSSA-N 2 1 349.563 3.149 20 0 EGADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NCCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001161205786 1382340908 /nfs/dbraw/zinc/34/09/08/1382340908.db2.gz GYHOZTIUVWXDNN-HKUYNNGSSA-N 2 1 349.563 3.149 20 0 EGADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NCCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001161205786 1382340912 /nfs/dbraw/zinc/34/09/12/1382340912.db2.gz GYHOZTIUVWXDNN-HKUYNNGSSA-N 2 1 349.563 3.149 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC1=CC[NH+](CC2=CCCCC2)CC1 ZINC001161206450 1382340953 /nfs/dbraw/zinc/34/09/53/1382340953.db2.gz JSGOAKVJHYTROH-GOSISDBHSA-N 2 1 345.531 3.110 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@H+](CC2=CCCCC2)CC1 ZINC001161206450 1382340956 /nfs/dbraw/zinc/34/09/56/1382340956.db2.gz JSGOAKVJHYTROH-GOSISDBHSA-N 2 1 345.531 3.110 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@@H+](CC2=CCCCC2)CC1 ZINC001161206450 1382340958 /nfs/dbraw/zinc/34/09/58/1382340958.db2.gz JSGOAKVJHYTROH-GOSISDBHSA-N 2 1 345.531 3.110 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001161207056 1382341668 /nfs/dbraw/zinc/34/16/68/1382341668.db2.gz PQFSTWGXCDVGQS-KRWDZBQOSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001161207056 1382341673 /nfs/dbraw/zinc/34/16/73/1382341673.db2.gz PQFSTWGXCDVGQS-KRWDZBQOSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001161207056 1382341681 /nfs/dbraw/zinc/34/16/81/1382341681.db2.gz PQFSTWGXCDVGQS-KRWDZBQOSA-N 2 1 335.536 3.045 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccccc1C(C)C ZINC001161226805 1382349029 /nfs/dbraw/zinc/34/90/29/1382349029.db2.gz PJRUEALJRVNQGE-UHFFFAOYSA-N 2 1 333.520 3.136 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC[NH+]2CCCC2)c2ccccc2)C1 ZINC001293770719 1382355171 /nfs/dbraw/zinc/35/51/71/1382355171.db2.gz LGRCVLMAGQUDHJ-IBGZPJMESA-N 2 1 343.515 3.237 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161382918 1382391105 /nfs/dbraw/zinc/39/11/05/1382391105.db2.gz FGHMHRMHLOSCDG-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444609 1382413237 /nfs/dbraw/zinc/41/32/37/1382413237.db2.gz HZQALMYNXFZJTN-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001161444609 1382413240 /nfs/dbraw/zinc/41/32/40/1382413240.db2.gz HZQALMYNXFZJTN-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001161444609 1382413243 /nfs/dbraw/zinc/41/32/43/1382413243.db2.gz HZQALMYNXFZJTN-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC1=CC[NH+](CC(C)C)CC1 ZINC001161497093 1382423360 /nfs/dbraw/zinc/42/33/60/1382423360.db2.gz RWMBFLNRTKQMPO-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NCCC1=CC[N@H+](CC(C)C)CC1 ZINC001161497093 1382423362 /nfs/dbraw/zinc/42/33/62/1382423362.db2.gz RWMBFLNRTKQMPO-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NCCC1=CC[N@@H+](CC(C)C)CC1 ZINC001161497093 1382423366 /nfs/dbraw/zinc/42/33/66/1382423366.db2.gz RWMBFLNRTKQMPO-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP COc1ccc2c(C)cc(N3CCC([NH3+])(c4cccnc4)CC3)[nH+]c2c1 ZINC001161581969 1382446397 /nfs/dbraw/zinc/44/63/97/1382446397.db2.gz GXVFHBCHQKKLFQ-UHFFFAOYSA-N 2 1 348.450 3.401 20 0 EGADMP Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c(C)c1 ZINC001161644107 1382468777 /nfs/dbraw/zinc/46/87/77/1382468777.db2.gz IALCXVMKIWTLBO-FQEVSTJZSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC001294614228 1382479958 /nfs/dbraw/zinc/47/99/58/1382479958.db2.gz KAERTDLMJIRLIU-ICSRJNTNSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001294614228 1382479965 /nfs/dbraw/zinc/47/99/65/1382479965.db2.gz KAERTDLMJIRLIU-ICSRJNTNSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001294614228 1382479967 /nfs/dbraw/zinc/47/99/67/1382479967.db2.gz KAERTDLMJIRLIU-ICSRJNTNSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC2=CC[N@@H+](CC3CCC3)CC2)C1 ZINC001161704699 1382485441 /nfs/dbraw/zinc/48/54/41/1382485441.db2.gz GIXIIOACTCAEJG-PMACEKPBSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161733933 1382491193 /nfs/dbraw/zinc/49/11/93/1382491193.db2.gz PAJDCFUBYCZEMI-AATRIKPKSA-N 2 1 335.536 3.213 20 0 EGADMP Cc1nc(N[C@H](c2cccc(F)c2)C2CC[NH2+]CC2)cc(N(C)C)[nH+]1 ZINC001161821408 1382520581 /nfs/dbraw/zinc/52/05/81/1382520581.db2.gz XORKCRMMPPQSIM-IBGZPJMESA-N 2 1 343.450 3.143 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161899311 1382544363 /nfs/dbraw/zinc/54/43/63/1382544363.db2.gz RVOSRDFWSFKIKU-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001161946797 1382565663 /nfs/dbraw/zinc/56/56/63/1382565663.db2.gz DTTQSCSGHWEVEM-UHFFFAOYSA-N 2 1 337.552 3.291 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001161946797 1382565666 /nfs/dbraw/zinc/56/56/66/1382565666.db2.gz DTTQSCSGHWEVEM-UHFFFAOYSA-N 2 1 337.552 3.291 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001161952296 1382567243 /nfs/dbraw/zinc/56/72/43/1382567243.db2.gz FUOJTPVVCDCJPQ-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161953038 1382568479 /nfs/dbraw/zinc/56/84/79/1382568479.db2.gz OYYZWWUMLAWHFP-ICSRJNTNSA-N 2 1 349.563 3.291 20 0 EGADMP CCc1nc(N2CCC([NH3+])(Cc3ccccc3F)CC2)cc(C)[nH+]1 ZINC001161989981 1382591706 /nfs/dbraw/zinc/59/17/06/1382591706.db2.gz JYMVSLBEYYEBQI-UHFFFAOYSA-N 2 1 328.435 3.027 20 0 EGADMP CC1(CNc2nc(N3CCC([NH3+])CC3)cc[nH+]2)CCC(F)(F)CC1 ZINC001162030683 1382608500 /nfs/dbraw/zinc/60/85/00/1382608500.db2.gz NSHQYZCXPVBMGX-UHFFFAOYSA-N 2 1 339.434 3.032 20 0 EGADMP CCc1nc(NCCCP(CCC[NH3+])c2ccccc2)cc(C)[nH+]1 ZINC001162469377 1382767178 /nfs/dbraw/zinc/76/71/78/1382767178.db2.gz QQPVFRVHCHSKAX-UHFFFAOYSA-N 2 1 344.443 3.306 20 0 EGADMP COc1[nH+]ccc(N[C@@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)c1N ZINC001163032666 1382951907 /nfs/dbraw/zinc/95/19/07/1382951907.db2.gz XZGATRSQVYODPD-QGZVFWFLSA-N 2 1 338.455 3.159 20 0 EGADMP Brc1cccn2c(N[C@@H]3C[NH2+]Cc4ccsc43)c[nH+]c12 ZINC001163228753 1382998963 /nfs/dbraw/zinc/99/89/63/1382998963.db2.gz CSSPLCDTXGBYGE-LLVKDONJSA-N 2 1 349.257 3.415 20 0 EGADMP c1ccc(C[N@H+]2CCc3c(ccnc3N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC001163261458 1383006700 /nfs/dbraw/zinc/00/67/00/1383006700.db2.gz XIPQRNVVGNTLOM-QMMLZNLJSA-N 2 1 348.494 3.050 20 0 EGADMP C[N@@H+](CCC(=O)NCCC[NH2+]CCCC1CCC1)C1CCCCC1 ZINC001163275061 1383011002 /nfs/dbraw/zinc/01/10/02/1383011002.db2.gz ORUXEYNBHKALMI-UHFFFAOYSA-N 2 1 337.552 3.317 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](Nc2cccc(OCC[NH+]3CCCC3)n2)[C@H](C)C1 ZINC001163366275 1383032996 /nfs/dbraw/zinc/03/29/96/1383032996.db2.gz TZOUTVHRIQRZGO-QZTJIDSGSA-N 2 1 346.519 3.087 20 0 EGADMP COCC[N@@H+](C)[C@H](CNc1cc(N)cc[nH+]1)c1ccc(Cl)cc1 ZINC001163385402 1383038353 /nfs/dbraw/zinc/03/83/53/1383038353.db2.gz LWZWQAZCBBZEEF-MRXNPFEDSA-N 2 1 334.851 3.049 20 0 EGADMP CN(C(=O)C[N@H+](C)Cc1ccccc1)C(C)(C)C[NH+]1CCCCCC1 ZINC001296711881 1383054186 /nfs/dbraw/zinc/05/41/86/1383054186.db2.gz KNUNDRXPSOMQOX-UHFFFAOYSA-N 2 1 345.531 3.231 20 0 EGADMP CN(C(=O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C[NH+]1CCCCCC1 ZINC001296711881 1383054189 /nfs/dbraw/zinc/05/41/89/1383054189.db2.gz KNUNDRXPSOMQOX-UHFFFAOYSA-N 2 1 345.531 3.231 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001164455499 1383188326 /nfs/dbraw/zinc/18/83/26/1383188326.db2.gz CLBFGWCAKLQMSY-FUHWJXTLSA-N 2 1 349.494 3.105 20 0 EGADMP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164513396 1383195015 /nfs/dbraw/zinc/19/50/15/1383195015.db2.gz CKMCAAPAEWMVMV-SFHVURJKSA-N 2 1 337.552 3.172 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531314 1383196747 /nfs/dbraw/zinc/19/67/47/1383196747.db2.gz CVQWYVZYDHQIFX-RBUKOAKNSA-N 2 1 349.563 3.173 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC1(C[NH2+]C[C@@H](C)CC)CC1 ZINC001164578760 1383201365 /nfs/dbraw/zinc/20/13/65/1383201365.db2.gz QLJQYAQTZAAUAW-DLBZAZTESA-N 2 1 348.535 3.319 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CC3=CCCCC3)CC2)CC[N@H+]1C ZINC001164578900 1383201406 /nfs/dbraw/zinc/20/14/06/1383201406.db2.gz XYAOTMYLHSGJTF-RBUKOAKNSA-N 2 1 347.547 3.093 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)C[C@H]32)cc1 ZINC001165082906 1383224173 /nfs/dbraw/zinc/22/41/73/1383224173.db2.gz FFKFLYCWYNFIET-PZJWPPBQSA-N 2 1 348.494 3.393 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-n2ccnc2[C@H]2CCC[NH2+]C2)nc1 ZINC001165144285 1383236630 /nfs/dbraw/zinc/23/66/30/1383236630.db2.gz QSLGXGGHYVFZLF-ZWKOTPCHSA-N 2 1 339.487 3.281 20 0 EGADMP C[N@H+]1CCC[C@H](CCNc2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)C1 ZINC001165289925 1383266958 /nfs/dbraw/zinc/26/69/58/1383266958.db2.gz MAQPHSFENHSIQS-LJQANCHMSA-N 3 1 344.547 3.001 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001165472555 1383300011 /nfs/dbraw/zinc/30/00/11/1383300011.db2.gz MUAVQWYSMRYLQU-SFHVURJKSA-N 2 1 337.552 3.031 20 0 EGADMP FC(F)(F)C1CCC(Nc2[nH+]cccc2N2CC[NH2+]CC2)CC1 ZINC001165599152 1383314267 /nfs/dbraw/zinc/31/42/67/1383314267.db2.gz CVUZMLYGDKBWBJ-UHFFFAOYSA-N 2 1 328.382 3.024 20 0 EGADMP Cc1cccc(CCC[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001166744428 1383469975 /nfs/dbraw/zinc/46/99/75/1383469975.db2.gz WHHCOVYPJFECIH-UHFFFAOYSA-N 2 1 347.547 3.001 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC2(C[NH2+]CC3CC(C)C3)CC2)C1 ZINC001166793308 1383478293 /nfs/dbraw/zinc/47/82/93/1383478293.db2.gz ILGJBBOOJMTNIY-ACBHZAAOSA-N 2 1 349.563 3.031 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001167240563 1383573324 /nfs/dbraw/zinc/57/33/24/1383573324.db2.gz NVBNDCFCHZHBHB-UHFFFAOYSA-N 2 1 337.552 3.031 20 0 EGADMP CC(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385415 1383619320 /nfs/dbraw/zinc/61/93/20/1383619320.db2.gz BZBYZJMURJSFMX-SFHVURJKSA-N 2 1 337.552 3.172 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167426751 1383630626 /nfs/dbraw/zinc/63/06/26/1383630626.db2.gz YFWMTAFEJYDRBT-OALUTQOASA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(CF)cc1 ZINC001167627074 1383692790 /nfs/dbraw/zinc/69/27/90/1383692790.db2.gz KALSVCGLORAKCD-IBGZPJMESA-N 2 1 349.494 3.015 20 0 EGADMP CC[C@@H]([NH2+]CC1(CCNC(=O)CC[N@@H+](C)CC)CC1)c1ccccc1 ZINC001167639567 1383695489 /nfs/dbraw/zinc/69/54/89/1383695489.db2.gz BXSWUGYLTJTTME-LJQANCHMSA-N 2 1 345.531 3.356 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CCC2)CC1 ZINC001167694812 1383713287 /nfs/dbraw/zinc/71/32/87/1383713287.db2.gz VMWIIAFILDTCLJ-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCN(c2ncccc2C)CC1 ZINC001167826985 1383750033 /nfs/dbraw/zinc/75/00/33/1383750033.db2.gz SOJRZVUWEBAYHZ-LJQANCHMSA-N 2 1 332.536 3.413 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC001167826964 1383750389 /nfs/dbraw/zinc/75/03/89/1383750389.db2.gz SJWCRDWQHPEJAZ-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001167833318 1383753313 /nfs/dbraw/zinc/75/33/13/1383753313.db2.gz AMAXMNLFSLYHQS-CEXWTWQISA-N 2 1 327.532 3.395 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001167833318 1383753318 /nfs/dbraw/zinc/75/33/18/1383753318.db2.gz AMAXMNLFSLYHQS-CEXWTWQISA-N 2 1 327.532 3.395 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC)CCNC(=O)OC(C)(C)C ZINC001167841736 1383756696 /nfs/dbraw/zinc/75/66/96/1383756696.db2.gz PXERWJPHFWHHEB-INIZCTEOSA-N 2 1 329.529 3.344 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@H]21 ZINC001167941611 1383774071 /nfs/dbraw/zinc/77/40/71/1383774071.db2.gz QZTXBKZOIDDFPR-VRNFHHEUSA-N 2 1 325.500 3.412 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@H]21 ZINC001167941611 1383774075 /nfs/dbraw/zinc/77/40/75/1383774075.db2.gz QZTXBKZOIDDFPR-VRNFHHEUSA-N 2 1 325.500 3.412 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@H]21 ZINC001167941611 1383774078 /nfs/dbraw/zinc/77/40/78/1383774078.db2.gz QZTXBKZOIDDFPR-VRNFHHEUSA-N 2 1 325.500 3.412 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@H]21 ZINC001167941611 1383774080 /nfs/dbraw/zinc/77/40/80/1383774080.db2.gz QZTXBKZOIDDFPR-VRNFHHEUSA-N 2 1 325.500 3.412 20 0 EGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc(OC)c1 ZINC001167958743 1383779113 /nfs/dbraw/zinc/77/91/13/1383779113.db2.gz JUTCYOIEGGONDE-AYHJJNSGSA-N 2 1 330.472 3.199 20 0 EGADMP OC[C@@H](Cc1cccc(Cl)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167968584 1383781489 /nfs/dbraw/zinc/78/14/89/1383781489.db2.gz RZAXPHWCUKSQDJ-YGFFAISXSA-N 2 1 348.918 3.238 20 0 EGADMP CCOC(=O)C[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]1C ZINC001168002735 1383793070 /nfs/dbraw/zinc/79/30/70/1383793070.db2.gz WLWADVNIKZOIET-MZSJESITSA-N 2 1 348.531 3.303 20 0 EGADMP CCOC(=O)C[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@H]1C ZINC001168002735 1383793074 /nfs/dbraw/zinc/79/30/74/1383793074.db2.gz WLWADVNIKZOIET-MZSJESITSA-N 2 1 348.531 3.303 20 0 EGADMP CCOC(=O)C[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H]1C ZINC001168002735 1383793076 /nfs/dbraw/zinc/79/30/76/1383793076.db2.gz WLWADVNIKZOIET-MZSJESITSA-N 2 1 348.531 3.303 20 0 EGADMP CCN(CC)C(=O)[C@H](C)[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168007788 1383794713 /nfs/dbraw/zinc/79/47/13/1383794713.db2.gz BHJDIIINJWJARV-BZSNNMDCSA-N 2 1 345.531 3.275 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011055 1383796259 /nfs/dbraw/zinc/79/62/59/1383796259.db2.gz MHBDQYLDLOXMEG-OPVJXMOQSA-N 2 1 343.515 3.030 20 0 EGADMP COC(=O)C[C@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057710 1383805943 /nfs/dbraw/zinc/80/59/43/1383805943.db2.gz NMPSRHWCRPHDFS-PIKOESSRSA-N 2 1 344.499 3.313 20 0 EGADMP COC(=O)C[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057710 1383805947 /nfs/dbraw/zinc/80/59/47/1383805947.db2.gz NMPSRHWCRPHDFS-PIKOESSRSA-N 2 1 344.499 3.313 20 0 EGADMP COC(=O)C[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057710 1383805950 /nfs/dbraw/zinc/80/59/50/1383805950.db2.gz NMPSRHWCRPHDFS-PIKOESSRSA-N 2 1 344.499 3.313 20 0 EGADMP C[C@@H]1C[C@@H](N2CCC[C@@H]3C[NH+](C)C[C@@H]32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065705 1383807928 /nfs/dbraw/zinc/80/79/28/1383807928.db2.gz XSWMHSXDDZQZHE-RXRQOCSWSA-N 2 1 341.543 3.454 20 0 EGADMP C[C@@H]1C[C@@H](N2CCC[C@@H]3C[N@H+](C)C[C@@H]32)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065705 1383807935 /nfs/dbraw/zinc/80/79/35/1383807935.db2.gz XSWMHSXDDZQZHE-RXRQOCSWSA-N 2 1 341.543 3.454 20 0 EGADMP C[C@@H]1C[C@@H](N2CCC[C@@H]3C[N@@H+](C)C[C@@H]32)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065705 1383807939 /nfs/dbraw/zinc/80/79/39/1383807939.db2.gz XSWMHSXDDZQZHE-RXRQOCSWSA-N 2 1 341.543 3.454 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2CCC[NH+](CCC3CC3)C2)CC1 ZINC001328812019 1388878271 /nfs/dbraw/zinc/87/82/71/1388878271.db2.gz HPVPHLSAQWWFDR-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC001328812019 1388878276 /nfs/dbraw/zinc/87/82/76/1388878276.db2.gz HPVPHLSAQWWFDR-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC001328812019 1388878280 /nfs/dbraw/zinc/87/82/80/1388878280.db2.gz HPVPHLSAQWWFDR-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C)C1CCC([N@@H+](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001168319003 1383871272 /nfs/dbraw/zinc/87/12/72/1383871272.db2.gz KSNPQJRYSPOLAB-OFLPRAFFSA-N 2 1 339.524 3.191 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001168315542 1383871666 /nfs/dbraw/zinc/87/16/66/1383871666.db2.gz YGBMLCHQIZLJSY-GTPINHCMSA-N 2 1 339.524 3.238 20 0 EGADMP CC[N@@H+]([C@@H]1CCN(Cc2ccccc2)C1)C1CCC([NH+](C)C)CC1 ZINC001168327360 1383874083 /nfs/dbraw/zinc/87/40/83/1383874083.db2.gz KSNQAMUCLSUVBG-XVAXZDLZSA-N 2 1 329.532 3.456 20 0 EGADMP COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)C1CCC([NH+](C)C)CC1 ZINC001168327871 1383874190 /nfs/dbraw/zinc/87/41/90/1383874190.db2.gz RPZJEASDBQYRSF-IVMQYODDSA-N 2 1 334.504 3.405 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2Cc3cnc(-c4ccc(F)cc4)nc3C2)CC1 ZINC001168328528 1383874479 /nfs/dbraw/zinc/87/44/79/1383874479.db2.gz JBBFWBSWCSBNPL-UHFFFAOYSA-N 2 1 340.446 3.471 20 0 EGADMP C[NH+](C)C1CCC([N@@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001168330258 1383875464 /nfs/dbraw/zinc/87/54/64/1383875464.db2.gz NYIYCWSEIIJAQF-XVAXZDLZSA-N 2 1 329.532 3.456 20 0 EGADMP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001168335912 1383876852 /nfs/dbraw/zinc/87/68/52/1383876852.db2.gz ZLLQRQGNWWZOEP-LIXSYLKWSA-N 2 1 349.563 3.483 20 0 EGADMP C([NH2+]C1CCN(CC2CC2)CC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001168357472 1383882965 /nfs/dbraw/zinc/88/29/65/1383882965.db2.gz BBROQZYEZIVWMZ-UHFFFAOYSA-N 2 1 333.564 3.495 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168442949 1383906817 /nfs/dbraw/zinc/90/68/17/1383906817.db2.gz XYFUGHQPGRTJJT-NHCUHLMSSA-N 2 1 346.490 3.258 20 0 EGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168442949 1383906822 /nfs/dbraw/zinc/90/68/22/1383906822.db2.gz XYFUGHQPGRTJJT-NHCUHLMSSA-N 2 1 346.490 3.258 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168442949 1383906826 /nfs/dbraw/zinc/90/68/26/1383906826.db2.gz XYFUGHQPGRTJJT-NHCUHLMSSA-N 2 1 346.490 3.258 20 0 EGADMP COc1ccc([C@@H]2C[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)CCO2)cc1 ZINC001168597448 1383945283 /nfs/dbraw/zinc/94/52/83/1383945283.db2.gz AXVMNHKXSQYQLR-PXNSSMCTSA-N 2 1 330.472 3.132 20 0 EGADMP C[NH+](C)CC(C)(C)CNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001168767562 1383996670 /nfs/dbraw/zinc/99/66/70/1383996670.db2.gz FYAREUQRTADZBC-QGZVFWFLSA-N 3 1 343.519 3.351 20 0 EGADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC001169091181 1384105196 /nfs/dbraw/zinc/10/51/96/1384105196.db2.gz OXUBBIYHNBLJFJ-PPQDBTBKSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001169091181 1384105198 /nfs/dbraw/zinc/10/51/98/1384105198.db2.gz OXUBBIYHNBLJFJ-PPQDBTBKSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001169091181 1384105201 /nfs/dbraw/zinc/10/52/01/1384105201.db2.gz OXUBBIYHNBLJFJ-PPQDBTBKSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC001169091178 1384105357 /nfs/dbraw/zinc/10/53/57/1384105357.db2.gz OXUBBIYHNBLJFJ-KPACCLEDSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001169091178 1384105359 /nfs/dbraw/zinc/10/53/59/1384105359.db2.gz OXUBBIYHNBLJFJ-KPACCLEDSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001169091178 1384105361 /nfs/dbraw/zinc/10/53/61/1384105361.db2.gz OXUBBIYHNBLJFJ-KPACCLEDSA-N 2 1 327.516 3.254 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=[NH2+])c1ccc(Br)cc1F)C2 ZINC001169108634 1384108264 /nfs/dbraw/zinc/10/82/64/1384108264.db2.gz UGTNMFVEADQXFC-ZSBIGDGJSA-N 2 1 340.240 3.128 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3ccc(F)cc3c3c1C[C@H]([NH3+])CC3)C2 ZINC001169109423 1384108784 /nfs/dbraw/zinc/10/87/84/1384108784.db2.gz IFVQSXZNTFSAGD-LVQVYYBASA-N 2 1 327.447 3.394 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1(C)CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169118555 1384109608 /nfs/dbraw/zinc/10/96/08/1384109608.db2.gz KBMKAUWCTWVNLI-ACDBMABISA-N 2 1 327.516 3.256 20 0 EGADMP COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1Br ZINC001169124992 1384110495 /nfs/dbraw/zinc/11/04/95/1384110495.db2.gz VUWMEYJZWLXKOR-ZSOGYDGISA-N 2 1 339.277 3.173 20 0 EGADMP COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Br ZINC001169124992 1384110497 /nfs/dbraw/zinc/11/04/97/1384110497.db2.gz VUWMEYJZWLXKOR-ZSOGYDGISA-N 2 1 339.277 3.173 20 0 EGADMP CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144592 1384114050 /nfs/dbraw/zinc/11/40/50/1384114050.db2.gz KDCFGPDVQGVACF-WOZUAGRISA-N 2 1 327.516 3.208 20 0 EGADMP CCN([C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169144592 1384114053 /nfs/dbraw/zinc/11/40/53/1384114053.db2.gz KDCFGPDVQGVACF-WOZUAGRISA-N 2 1 327.516 3.208 20 0 EGADMP CCN([C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169144592 1384114054 /nfs/dbraw/zinc/11/40/54/1384114054.db2.gz KDCFGPDVQGVACF-WOZUAGRISA-N 2 1 327.516 3.208 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145567 1384114392 /nfs/dbraw/zinc/11/43/92/1384114392.db2.gz MZOHVQKTWCNSRD-LRSLUSHPSA-N 2 1 339.527 3.210 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C1)C2 ZINC001169145567 1384114393 /nfs/dbraw/zinc/11/43/93/1384114393.db2.gz MZOHVQKTWCNSRD-LRSLUSHPSA-N 2 1 339.527 3.210 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C1)C2 ZINC001169145567 1384114395 /nfs/dbraw/zinc/11/43/95/1384114395.db2.gz MZOHVQKTWCNSRD-LRSLUSHPSA-N 2 1 339.527 3.210 20 0 EGADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cnnn1-c1ccccc1 ZINC001308378149 1384123190 /nfs/dbraw/zinc/12/31/90/1384123190.db2.gz UIQPMHINVUELQX-UHFFFAOYSA-N 2 1 341.503 3.402 20 0 EGADMP CC[NH+]1CCC([NH2+]Cc2cccc(N3CCCCCC3=O)c2)CC1 ZINC001169240546 1384126448 /nfs/dbraw/zinc/12/64/48/1384126448.db2.gz LFLYXAWAFFRFSJ-UHFFFAOYSA-N 2 1 329.488 3.168 20 0 EGADMP O[C@@H]1CCC[C@H](Nc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)C1 ZINC001169251952 1384127609 /nfs/dbraw/zinc/12/76/09/1384127609.db2.gz ZKKPCXUDKMEWGJ-BHYGNILZSA-N 2 1 328.460 3.066 20 0 EGADMP CC[NH+]1CCC(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169263730 1384129258 /nfs/dbraw/zinc/12/92/58/1384129258.db2.gz APTFMGOJXSGJPC-NRFANRHFSA-N 2 1 327.516 3.069 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169452749 1384149681 /nfs/dbraw/zinc/14/96/81/1384149681.db2.gz RBYVOELXTNUYEB-MISYRCLQSA-N 2 1 345.531 3.406 20 0 EGADMP CC(=O)N1CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169527262 1384156468 /nfs/dbraw/zinc/15/64/68/1384156468.db2.gz SZRZHRNMJCYKOH-FHWLQOOXSA-N 2 1 349.906 3.033 20 0 EGADMP CCOC(=O)C1(C)CC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC001308897322 1384157609 /nfs/dbraw/zinc/15/76/09/1384157609.db2.gz JJHSZCBHEAEVJI-AJCBRXLXSA-N 2 1 344.499 3.076 20 0 EGADMP [NH3+]CCC[C@H]1CCCC[N@H+]([C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169756313 1384183113 /nfs/dbraw/zinc/18/31/13/1384183113.db2.gz HZNQCXRYBFOCPG-QUCCMNQESA-N 2 1 343.515 3.132 20 0 EGADMP CC[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](C)C[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170476653 1384326978 /nfs/dbraw/zinc/32/69/78/1384326978.db2.gz ZGJPAVJPMWEPBQ-NXOAAHMSSA-N 2 1 341.540 3.470 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001170749889 1384377470 /nfs/dbraw/zinc/37/74/70/1384377470.db2.gz DHDADQJLWYBZHE-QZTJIDSGSA-N 2 1 325.541 3.170 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170851944 1384398640 /nfs/dbraw/zinc/39/86/40/1384398640.db2.gz VTEZZWFJHMIOJW-DYVFJYSZSA-N 2 1 337.305 3.238 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH2+]CC1=CCCCC1)c1ccccc1 ZINC001170867073 1384401619 /nfs/dbraw/zinc/40/16/19/1384401619.db2.gz BTORIHLOYRWKOE-FQEVSTJZSA-N 2 1 343.515 3.276 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH2+]CCC1CCCC1)c1ccccc1 ZINC001170867361 1384401655 /nfs/dbraw/zinc/40/16/55/1384401655.db2.gz FGGOKZAIOSUCGC-FQEVSTJZSA-N 2 1 345.531 3.356 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCCC(C)(C)C)C(=O)CC1CC[NH+](C)CC1 ZINC001316601711 1384468509 /nfs/dbraw/zinc/46/85/09/1384468509.db2.gz IEKCBOYSANQTGO-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC2CCC2)C1 ZINC001171236132 1384476471 /nfs/dbraw/zinc/47/64/71/1384476471.db2.gz LHJXWNKAZKDINH-MJGOQNOKSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001171248495 1384478319 /nfs/dbraw/zinc/47/83/19/1384478319.db2.gz VWHBEAARXRDBCJ-RTBURBONSA-N 2 1 337.552 3.480 20 0 EGADMP C[C@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171260227 1384481208 /nfs/dbraw/zinc/48/12/08/1384481208.db2.gz FYYSIQGHQVVCJA-MRXNPFEDSA-N 2 1 349.494 3.075 20 0 EGADMP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001171261636 1384481628 /nfs/dbraw/zinc/48/16/28/1384481628.db2.gz XIMJUUFLWOSQJZ-GOSISDBHSA-N 2 1 345.531 3.244 20 0 EGADMP C[C@@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171537784 1384555706 /nfs/dbraw/zinc/55/57/06/1384555706.db2.gz HJNHPMIBQKQJQE-LPHOPBHVSA-N 2 1 349.494 3.075 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171538912 1384556415 /nfs/dbraw/zinc/55/64/15/1384556415.db2.gz PPWGQYAYDORALD-QZTJIDSGSA-N 2 1 325.541 3.172 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171586584 1384572634 /nfs/dbraw/zinc/57/26/34/1384572634.db2.gz PULUDGSMAPMQQB-INIZCTEOSA-N 2 1 327.557 3.418 20 0 EGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171593656 1384573535 /nfs/dbraw/zinc/57/35/35/1384573535.db2.gz QARSPOIADKIDMC-PMPSAXMXSA-N 2 1 341.540 3.327 20 0 EGADMP COc1cccc(N2CC[NH+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)c1 ZINC001171629881 1384585459 /nfs/dbraw/zinc/58/54/59/1384585459.db2.gz YFUJXQUQBBZHRJ-UHFFFAOYSA-N 2 1 345.531 3.469 20 0 EGADMP Cc1nccnc1O[C@@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641354 1384589343 /nfs/dbraw/zinc/58/93/43/1384589343.db2.gz PQOACIHJZBDEBF-QGZVFWFLSA-N 2 1 346.519 3.280 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)CC1(C)C ZINC001171641931 1384589529 /nfs/dbraw/zinc/58/95/29/1384589529.db2.gz WKGJBPBAKKVEAZ-MRXNPFEDSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001171646022 1384591402 /nfs/dbraw/zinc/59/14/02/1384591402.db2.gz HBJDTXVUWRBYLP-PKOBYXMFSA-N 2 1 337.552 3.172 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](CC(C)(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC001171741895 1384621617 /nfs/dbraw/zinc/62/16/17/1384621617.db2.gz WWSTVGXQTSPMKD-HOJAQTOUSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](CC(C)(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC001171741895 1384621620 /nfs/dbraw/zinc/62/16/20/1384621620.db2.gz WWSTVGXQTSPMKD-HOJAQTOUSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](CC(C)(C)C)C2)C[NH+]1Cc1ccccc1 ZINC001171741895 1384621621 /nfs/dbraw/zinc/62/16/21/1384621621.db2.gz WWSTVGXQTSPMKD-HOJAQTOUSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](CC(C)(C)C)C2)C[NH+]1Cc1ccccc1 ZINC001171741895 1384621624 /nfs/dbraw/zinc/62/16/24/1384621624.db2.gz WWSTVGXQTSPMKD-HOJAQTOUSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@H+]1CC[C@H](N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744833 1384623534 /nfs/dbraw/zinc/62/35/34/1384623534.db2.gz IHMJFDJTSGTUAS-JYRKZWEQSA-N 2 1 329.532 3.358 20 0 EGADMP CC(C)[NH+]1CC[C@H](N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744833 1384623535 /nfs/dbraw/zinc/62/35/35/1384623535.db2.gz IHMJFDJTSGTUAS-JYRKZWEQSA-N 2 1 329.532 3.358 20 0 EGADMP CC(C)[NH+]1CC[C@H](N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744833 1384623538 /nfs/dbraw/zinc/62/35/38/1384623538.db2.gz IHMJFDJTSGTUAS-JYRKZWEQSA-N 2 1 329.532 3.358 20 0 EGADMP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744833 1384623539 /nfs/dbraw/zinc/62/35/39/1384623539.db2.gz IHMJFDJTSGTUAS-JYRKZWEQSA-N 2 1 329.532 3.358 20 0 EGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744833 1384623541 /nfs/dbraw/zinc/62/35/41/1384623541.db2.gz IHMJFDJTSGTUAS-JYRKZWEQSA-N 2 1 329.532 3.358 20 0 EGADMP CC[C@@H]1C[C@H]([N@@H+](C)C[C@H](C)C[NH3+])C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171817073 1384648705 /nfs/dbraw/zinc/64/87/05/1384648705.db2.gz ZGJPAVJPMWEPBQ-NCOADZHNSA-N 2 1 341.540 3.470 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@@H](n2cc[nH+]c2CCC[NH3+])CC12CCC2 ZINC001171846758 1384659939 /nfs/dbraw/zinc/65/99/39/1384659939.db2.gz YOZPLUNVUDRJGH-OAHLLOKOSA-N 2 1 348.491 3.269 20 0 EGADMP CC(C)(C)OC(=O)C1CCC([N@H+](CC[NH3+])Cc2ccccc2)CC1 ZINC001171909300 1384678557 /nfs/dbraw/zinc/67/85/57/1384678557.db2.gz FTDLMKCGDHBBKT-UHFFFAOYSA-N 2 1 332.488 3.348 20 0 EGADMP CC(C)(C)OC(=O)C1CCC([N@@H+](CC[NH3+])Cc2ccccc2)CC1 ZINC001171909300 1384678561 /nfs/dbraw/zinc/67/85/61/1384678561.db2.gz FTDLMKCGDHBBKT-UHFFFAOYSA-N 2 1 332.488 3.348 20 0 EGADMP CNC(=O)[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)C ZINC001171977271 1384700537 /nfs/dbraw/zinc/70/05/37/1384700537.db2.gz ZWVCMQBFOBTNJQ-ZWKOTPCHSA-N 2 1 345.531 3.180 20 0 EGADMP CNC(=O)[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)C ZINC001171977271 1384700545 /nfs/dbraw/zinc/70/05/45/1384700545.db2.gz ZWVCMQBFOBTNJQ-ZWKOTPCHSA-N 2 1 345.531 3.180 20 0 EGADMP COCCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978998 1384702232 /nfs/dbraw/zinc/70/22/32/1384702232.db2.gz JYJAANNEBCNKSN-LJQANCHMSA-N 2 1 334.504 3.072 20 0 EGADMP CN(CC[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988503 1384705857 /nfs/dbraw/zinc/70/58/57/1384705857.db2.gz SDNWKMRJOJOEAU-HXUWFJFHSA-N 2 1 329.532 3.457 20 0 EGADMP CCN1CC[C@H]([N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001172034334 1384712578 /nfs/dbraw/zinc/71/25/78/1384712578.db2.gz AOMUYQUVIAEDLU-UFYCRDLUSA-N 2 1 343.515 3.078 20 0 EGADMP COC(=O)[C@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067779 1384716332 /nfs/dbraw/zinc/71/63/32/1384716332.db2.gz FPETYVIDVDTSDC-VNTMZGSJSA-N 2 1 342.483 3.067 20 0 EGADMP COC(=O)[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172067779 1384716336 /nfs/dbraw/zinc/71/63/36/1384716336.db2.gz FPETYVIDVDTSDC-VNTMZGSJSA-N 2 1 342.483 3.067 20 0 EGADMP COC(=O)[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067779 1384716343 /nfs/dbraw/zinc/71/63/43/1384716343.db2.gz FPETYVIDVDTSDC-VNTMZGSJSA-N 2 1 342.483 3.067 20 0 EGADMP CC1(O)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172069600 1384717732 /nfs/dbraw/zinc/71/77/32/1384717732.db2.gz RPUXIJOLKURKKV-ACDBMABISA-N 2 1 328.500 3.419 20 0 EGADMP CC1(O)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172069600 1384717736 /nfs/dbraw/zinc/71/77/36/1384717736.db2.gz RPUXIJOLKURKKV-ACDBMABISA-N 2 1 328.500 3.419 20 0 EGADMP CCC[N@@H+](CCC[NH3+])[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172078514 1384721487 /nfs/dbraw/zinc/72/14/87/1384721487.db2.gz CAMVWIZXHCCYAL-FVQHAEBGSA-N 2 1 339.524 3.368 20 0 EGADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@]24CCOC4)C3)cc1 ZINC001172090990 1384724769 /nfs/dbraw/zinc/72/47/69/1384724769.db2.gz ZGQOMFQMFFDJFB-PLACYPQZSA-N 2 1 326.484 3.437 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@]24CCOC4)C3)cc1 ZINC001172090990 1384724771 /nfs/dbraw/zinc/72/47/71/1384724771.db2.gz ZGQOMFQMFFDJFB-PLACYPQZSA-N 2 1 326.484 3.437 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CC[C@]24CCOC4)C3)cc1 ZINC001172090990 1384724780 /nfs/dbraw/zinc/72/47/80/1384724780.db2.gz ZGQOMFQMFFDJFB-PLACYPQZSA-N 2 1 326.484 3.437 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CC[C@]24CCOC4)C3)cc1 ZINC001172090990 1384724788 /nfs/dbraw/zinc/72/47/88/1384724788.db2.gz ZGQOMFQMFFDJFB-PLACYPQZSA-N 2 1 326.484 3.437 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC001172100230 1384726512 /nfs/dbraw/zinc/72/65/12/1384726512.db2.gz BOUDGGDYKJLJGT-PLACYPQZSA-N 2 1 327.516 3.428 20 0 EGADMP COc1cccc2c1SC[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172108447 1384728144 /nfs/dbraw/zinc/72/81/44/1384728144.db2.gz AIDSRCZZPAQEDU-LUKYLMHMSA-N 2 1 332.513 3.317 20 0 EGADMP COc1cccc2c1SC[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172108447 1384728148 /nfs/dbraw/zinc/72/81/48/1384728148.db2.gz AIDSRCZZPAQEDU-LUKYLMHMSA-N 2 1 332.513 3.317 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1)C2 ZINC001172106564 1384728782 /nfs/dbraw/zinc/72/87/82/1384728782.db2.gz QENXXDFVAHHDKW-WCXIOVBPSA-N 2 1 342.405 3.344 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC([NH3+])(Cc3ccccc3)CC1)C2 ZINC001172110978 1384729877 /nfs/dbraw/zinc/72/98/77/1384729877.db2.gz NERSSGKDOOZXTR-ACDBMABISA-N 2 1 327.516 3.038 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(=O)Nc1ccc3ccccc3c1)C2 ZINC001172115178 1384730423 /nfs/dbraw/zinc/73/04/23/1384730423.db2.gz ROHJCHAQQULEIM-OWZKRDHZSA-N 2 1 337.467 3.383 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(=O)Nc1ccc3ccccc3c1)C2 ZINC001172115178 1384730426 /nfs/dbraw/zinc/73/04/26/1384730426.db2.gz ROHJCHAQQULEIM-OWZKRDHZSA-N 2 1 337.467 3.383 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC001316991584 1384748800 /nfs/dbraw/zinc/74/88/00/1384748800.db2.gz JYAHEQRKTJZPHB-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC001172248595 1384755539 /nfs/dbraw/zinc/75/55/39/1384755539.db2.gz BZMGSSPRRXTNBW-LJQANCHMSA-N 2 1 338.442 3.433 20 0 EGADMP COCCC[NH+]1CCC([N@H+](C)[C@H](C)Cc2ccccc2OC)CC1 ZINC001172254439 1384756655 /nfs/dbraw/zinc/75/66/55/1384756655.db2.gz MCXYODQOKSLCGZ-QGZVFWFLSA-N 2 1 334.504 3.059 20 0 EGADMP COCCC[NH+]1CCC([N@@H+](C)[C@H](C)Cc2ccccc2OC)CC1 ZINC001172254439 1384756670 /nfs/dbraw/zinc/75/66/70/1384756670.db2.gz MCXYODQOKSLCGZ-QGZVFWFLSA-N 2 1 334.504 3.059 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3COC(C)(C)C3)C[C@@H]21 ZINC001172288751 1384760803 /nfs/dbraw/zinc/76/08/03/1384760803.db2.gz ZDDAAKTXFCCQSO-RSPOEFSDSA-N 2 1 343.515 3.181 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3COC(C)(C)C3)C[C@@H]21 ZINC001172288751 1384760806 /nfs/dbraw/zinc/76/08/06/1384760806.db2.gz ZDDAAKTXFCCQSO-RSPOEFSDSA-N 2 1 343.515 3.181 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3COC(C)(C)C3)C[C@@H]21 ZINC001172288751 1384760808 /nfs/dbraw/zinc/76/08/08/1384760808.db2.gz ZDDAAKTXFCCQSO-RSPOEFSDSA-N 2 1 343.515 3.181 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3COC(C)(C)C3)C[C@@H]21 ZINC001172288751 1384760810 /nfs/dbraw/zinc/76/08/10/1384760810.db2.gz ZDDAAKTXFCCQSO-RSPOEFSDSA-N 2 1 343.515 3.181 20 0 EGADMP CCCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001317007286 1384770284 /nfs/dbraw/zinc/77/02/84/1384770284.db2.gz XGJHYOWQBDRLOB-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172328762 1384771261 /nfs/dbraw/zinc/77/12/61/1384771261.db2.gz DGRBNNODUDJTSV-HSALFYBXSA-N 2 1 340.552 3.403 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172328762 1384771265 /nfs/dbraw/zinc/77/12/65/1384771265.db2.gz DGRBNNODUDJTSV-HSALFYBXSA-N 2 1 340.552 3.403 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001172328762 1384771267 /nfs/dbraw/zinc/77/12/67/1384771267.db2.gz DGRBNNODUDJTSV-HSALFYBXSA-N 2 1 340.552 3.403 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001172328762 1384771268 /nfs/dbraw/zinc/77/12/68/1384771268.db2.gz DGRBNNODUDJTSV-HSALFYBXSA-N 2 1 340.552 3.403 20 0 EGADMP CC[C@H](C)OCC[C@H](C)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172333012 1384772094 /nfs/dbraw/zinc/77/20/94/1384772094.db2.gz IZHFPSUAGWZITO-XSLAGTTESA-N 2 1 326.525 3.331 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172376438 1384780587 /nfs/dbraw/zinc/78/05/87/1384780587.db2.gz UHIZKGNUVRKQLQ-JBYOPCTKSA-N 2 1 334.548 3.491 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172376438 1384780589 /nfs/dbraw/zinc/78/05/89/1384780589.db2.gz UHIZKGNUVRKQLQ-JBYOPCTKSA-N 2 1 334.548 3.491 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172376438 1384780590 /nfs/dbraw/zinc/78/05/90/1384780590.db2.gz UHIZKGNUVRKQLQ-JBYOPCTKSA-N 2 1 334.548 3.491 20 0 EGADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)C[C@H]1C ZINC001172374924 1384780598 /nfs/dbraw/zinc/78/05/98/1384780598.db2.gz QFBZLEHNQIBLJC-XGAGZNTDSA-N 2 1 334.548 3.491 20 0 EGADMP C[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)C[C@H]1C ZINC001172374924 1384780601 /nfs/dbraw/zinc/78/06/01/1384780601.db2.gz QFBZLEHNQIBLJC-XGAGZNTDSA-N 2 1 334.548 3.491 20 0 EGADMP C[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)C[C@H]1C ZINC001172374924 1384780602 /nfs/dbraw/zinc/78/06/02/1384780602.db2.gz QFBZLEHNQIBLJC-XGAGZNTDSA-N 2 1 334.548 3.491 20 0 EGADMP CC(C)OCC[C@@H](C)[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172448690 1384794106 /nfs/dbraw/zinc/79/41/06/1384794106.db2.gz WYHKGIWHSRSOOL-RTBURBONSA-N 2 1 326.525 3.013 20 0 EGADMP CC(C)OCC[C@@H](C)[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172448690 1384794110 /nfs/dbraw/zinc/79/41/10/1384794110.db2.gz WYHKGIWHSRSOOL-RTBURBONSA-N 2 1 326.525 3.013 20 0 EGADMP CC(C)OCC[C@@H](C)[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001172448690 1384794113 /nfs/dbraw/zinc/79/41/13/1384794113.db2.gz WYHKGIWHSRSOOL-RTBURBONSA-N 2 1 326.525 3.013 20 0 EGADMP CC(C)OCC[C@@H](C)[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001172448690 1384794114 /nfs/dbraw/zinc/79/41/14/1384794114.db2.gz WYHKGIWHSRSOOL-RTBURBONSA-N 2 1 326.525 3.013 20 0 EGADMP CC(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317037401 1384808460 /nfs/dbraw/zinc/80/84/60/1384808460.db2.gz RPRGNJDIYWRFLJ-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP COC(=O)[C@H]1CCC[C@@H]([NH2+]C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172611239 1384819407 /nfs/dbraw/zinc/81/94/07/1384819407.db2.gz XURGREGHBWCWEG-RBUKOAKNSA-N 2 1 344.499 3.363 20 0 EGADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001172621762 1384821288 /nfs/dbraw/zinc/82/12/88/1384821288.db2.gz GKEIUDNTTUAJIG-ROUUACIJSA-N 2 1 334.504 3.059 20 0 EGADMP [NH3+]C1(c2cccnc2)CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172714486 1384834990 /nfs/dbraw/zinc/83/49/90/1384834990.db2.gz ACMCAAZVNHHLDJ-SFHVURJKSA-N 2 1 327.859 3.152 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001172767536 1384847610 /nfs/dbraw/zinc/84/76/10/1384847610.db2.gz HLQMIVOZXKWTJZ-ZCNNSNEGSA-N 2 1 344.499 3.220 20 0 EGADMP COC(=O)[C@H]1CCC[C@H]([NH2+]C2CCN(c3[nH+]cccc3C)CC2)CC1 ZINC001172793073 1384852990 /nfs/dbraw/zinc/85/29/90/1384852990.db2.gz SSUBVKXGAWJHBN-IRXDYDNUSA-N 2 1 345.487 3.070 20 0 EGADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001172974494 1384893217 /nfs/dbraw/zinc/89/32/17/1384893217.db2.gz KJDUFANCLSOLOD-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1C1CCC([NH+](CC)CC)CC1 ZINC001173113493 1384918012 /nfs/dbraw/zinc/91/80/12/1384918012.db2.gz QWIHYOQBAZNRPH-HJTRDACESA-N 2 1 336.520 3.303 20 0 EGADMP COc1cccc2c1C[C@@H]([N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1)CO2 ZINC001173159175 1384926587 /nfs/dbraw/zinc/92/65/87/1384926587.db2.gz CCFJLWYXIJRBEJ-ZWKOTPCHSA-N 2 1 344.499 3.339 20 0 EGADMP COc1cccc2c1C[C@@H]([N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)CO2 ZINC001173159175 1384926590 /nfs/dbraw/zinc/92/65/90/1384926590.db2.gz CCFJLWYXIJRBEJ-ZWKOTPCHSA-N 2 1 344.499 3.339 20 0 EGADMP COc1cccc2c1C[C@H]([N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)CO2 ZINC001173159167 1384926697 /nfs/dbraw/zinc/92/66/97/1384926697.db2.gz CCFJLWYXIJRBEJ-MSOLQXFVSA-N 2 1 344.499 3.339 20 0 EGADMP COc1cccc2c1C[C@H]([N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)CO2 ZINC001173159167 1384926701 /nfs/dbraw/zinc/92/67/01/1384926701.db2.gz CCFJLWYXIJRBEJ-MSOLQXFVSA-N 2 1 344.499 3.339 20 0 EGADMP COc1cccc2c1C[C@@H]([N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1)CO2 ZINC001173161463 1384927884 /nfs/dbraw/zinc/92/78/84/1384927884.db2.gz QMHCJILOSPUGJJ-BRWVUGGUSA-N 2 1 332.488 3.227 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001317196343 1384970043 /nfs/dbraw/zinc/97/00/43/1384970043.db2.gz AHDTYLHPFUGBCL-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP COC(=O)CCCC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001173453045 1384973261 /nfs/dbraw/zinc/97/32/61/1384973261.db2.gz XBZCQPCRBZCMGA-QGZVFWFLSA-N 2 1 336.520 3.449 20 0 EGADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C)CC2 ZINC001173614319 1384988437 /nfs/dbraw/zinc/98/84/37/1384988437.db2.gz SUGIQIQWKKLVDT-BCOABZSFSA-N 2 1 336.520 3.207 20 0 EGADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001173618887 1384989494 /nfs/dbraw/zinc/98/94/94/1384989494.db2.gz SOJCHJJVTBEMHN-AXKMMPPPSA-N 2 1 334.504 3.103 20 0 EGADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001173618887 1384989497 /nfs/dbraw/zinc/98/94/97/1384989497.db2.gz SOJCHJJVTBEMHN-AXKMMPPPSA-N 2 1 334.504 3.103 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001173619405 1384990271 /nfs/dbraw/zinc/99/02/71/1384990271.db2.gz ARSBBXCXTBEQDA-VAMGGRTRSA-N 2 1 344.499 3.220 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC001173723513 1385009717 /nfs/dbraw/zinc/00/97/17/1385009717.db2.gz IIGBTMXFCNHOMQ-TXPKVOOTSA-N 2 1 332.488 3.113 20 0 EGADMP CN1CC[NH+](Cc2cccc(Nc3ccccc3C[NH+](C)C)c2)CC1 ZINC001173932694 1385033273 /nfs/dbraw/zinc/03/32/73/1385033273.db2.gz VFHBLCGOZJSFCG-UHFFFAOYSA-N 2 1 338.499 3.239 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001317269355 1385039114 /nfs/dbraw/zinc/03/91/14/1385039114.db2.gz CLJXMSHPXTZAKT-CABCVRRESA-N 2 1 346.450 3.001 20 0 EGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001174882330 1385164671 /nfs/dbraw/zinc/16/46/71/1385164671.db2.gz QJWOGSBVSJAOTN-MSOLQXFVSA-N 2 1 325.541 3.173 20 0 EGADMP CCc1ccccc1C[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001317492728 1385194111 /nfs/dbraw/zinc/19/41/11/1385194111.db2.gz PNPXRSFEJRLWRM-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCc1ccccc1C[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001317492728 1385194115 /nfs/dbraw/zinc/19/41/15/1385194115.db2.gz PNPXRSFEJRLWRM-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCc1ccccc1C[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001317492728 1385194118 /nfs/dbraw/zinc/19/41/18/1385194118.db2.gz PNPXRSFEJRLWRM-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175256257 1385231222 /nfs/dbraw/zinc/23/12/22/1385231222.db2.gz JZYHTSMEPPDEFZ-QZTJIDSGSA-N 2 1 337.552 3.316 20 0 EGADMP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175273485 1385238174 /nfs/dbraw/zinc/23/81/74/1385238174.db2.gz SGSDZFNWSJUJNS-IPLHWJFFSA-N 2 1 337.552 3.339 20 0 EGADMP CN(C)c1ncc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c2ccccc21 ZINC001335943771 1388972474 /nfs/dbraw/zinc/97/24/74/1388972474.db2.gz VVDKMGOOUARADU-KRWDZBQOSA-N 2 1 326.488 3.217 20 0 EGADMP CN(C)c1ncc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c2ccccc21 ZINC001335943771 1388972480 /nfs/dbraw/zinc/97/24/80/1388972480.db2.gz VVDKMGOOUARADU-KRWDZBQOSA-N 2 1 326.488 3.217 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317520621 1385239175 /nfs/dbraw/zinc/23/91/75/1385239175.db2.gz PEFDUSXEBSCKMQ-MJGOQNOKSA-N 2 1 343.515 3.060 20 0 EGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175297812 1385242624 /nfs/dbraw/zinc/24/26/24/1385242624.db2.gz XEUOOWXPSMBLBP-QGZVFWFLSA-N 2 1 327.557 3.419 20 0 EGADMP COc1ccc2[nH+]c(N)n(C3=CC[N@@H+](Cc4ccccc4)CC3)c2c1 ZINC001175505579 1385315119 /nfs/dbraw/zinc/31/51/19/1385315119.db2.gz SXEKVBISTLLSSB-UHFFFAOYSA-N 2 1 334.423 3.374 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175528535 1385321259 /nfs/dbraw/zinc/32/12/59/1385321259.db2.gz HYFKEMZTBRBTHT-QGZVFWFLSA-N 2 1 336.524 3.317 20 0 EGADMP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001175573587 1385336537 /nfs/dbraw/zinc/33/65/37/1385336537.db2.gz OZSKXRXPVLTUNM-OALUTQOASA-N 2 1 337.552 3.480 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCC1=CCCCC1 ZINC001176023014 1385463263 /nfs/dbraw/zinc/46/32/63/1385463263.db2.gz FOCMFRKZIKIOKS-SFHVURJKSA-N 2 1 337.552 3.483 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]C(C)C ZINC001176111411 1385486833 /nfs/dbraw/zinc/48/68/33/1385486833.db2.gz HQSTXLOKLJCQTR-ROUUACIJSA-N 2 1 325.541 3.314 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(CC)cc1 ZINC001176283938 1385538688 /nfs/dbraw/zinc/53/86/88/1385538688.db2.gz BIIUSSZIBBTQMZ-GOSISDBHSA-N 2 1 347.547 3.355 20 0 EGADMP CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001317875057 1385553950 /nfs/dbraw/zinc/55/39/50/1385553950.db2.gz BIMAEGVBBFCVFU-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001317875057 1385553958 /nfs/dbraw/zinc/55/39/58/1385553958.db2.gz BIMAEGVBBFCVFU-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001317875057 1385553961 /nfs/dbraw/zinc/55/39/61/1385553961.db2.gz BIMAEGVBBFCVFU-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCOC(=O)[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001176650009 1385646254 /nfs/dbraw/zinc/64/62/54/1385646254.db2.gz NDDCXFIILJPJLZ-IBGZPJMESA-N 2 1 330.472 3.058 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C(C)C ZINC001176991960 1385765577 /nfs/dbraw/zinc/76/55/77/1385765577.db2.gz GNEJUIFUMOFNHP-FQEVSTJZSA-N 2 1 345.531 3.280 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cccnc1Cl ZINC001319207453 1386005643 /nfs/dbraw/zinc/00/56/43/1386005643.db2.gz MEOAMVQXEZPFKG-OAHLLOKOSA-N 2 1 344.890 3.338 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCC1 ZINC001319353544 1386076082 /nfs/dbraw/zinc/07/60/82/1386076082.db2.gz NIPWPNRWOVYJSZ-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)[C@@H](C)C1 ZINC001319714902 1386265713 /nfs/dbraw/zinc/26/57/13/1386265713.db2.gz PZAHXSVAEDTMHG-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP CCC(CC)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001178705624 1386285231 /nfs/dbraw/zinc/28/52/31/1386285231.db2.gz WKDRYCWNULLWBD-UHFFFAOYSA-N 2 1 325.541 3.173 20 0 EGADMP Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001178828284 1386320225 /nfs/dbraw/zinc/32/02/25/1386320225.db2.gz TXSHQFIYABTGPD-HXUWFJFHSA-N 2 1 345.531 3.246 20 0 EGADMP CCC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001178828700 1386320521 /nfs/dbraw/zinc/32/05/21/1386320521.db2.gz YCYLOQMWAJJQDV-SFFCAUCYSA-N 2 1 337.552 3.483 20 0 EGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178891389 1386340189 /nfs/dbraw/zinc/34/01/89/1386340189.db2.gz QYZOHWPSYUVHQG-FHWLQOOXSA-N 2 1 337.552 3.409 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001178915197 1386347349 /nfs/dbraw/zinc/34/73/49/1386347349.db2.gz AWWAEVHGAVTPRS-OALUTQOASA-N 2 1 339.568 3.419 20 0 EGADMP Cc1cc(C)cc(C[NH2+][C@H](CNC(=O)C[N@@H+](C)C2CCC2)C(C)C)c1 ZINC001319919118 1386390611 /nfs/dbraw/zinc/39/06/11/1386390611.db2.gz SHIMCZQPVXKXLU-HXUWFJFHSA-N 2 1 345.531 3.018 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCCCCCC[NH2+]CCCCCF)CC[N@H+]1C ZINC001179383468 1386468893 /nfs/dbraw/zinc/46/88/93/1386468893.db2.gz YGHIEICXQPUIPA-ROUUACIJSA-N 2 1 343.531 3.123 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CCCC(C)C)[C@@H]2C)C1 ZINC001179388961 1386472280 /nfs/dbraw/zinc/47/22/80/1386472280.db2.gz VDFQERPBKOGEPV-OTWHNJEPSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001179396138 1386474618 /nfs/dbraw/zinc/47/46/18/1386474618.db2.gz YQLBLZRRGFIBFU-SFHVURJKSA-N 2 1 348.535 3.210 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001179580622 1386521829 /nfs/dbraw/zinc/52/18/29/1386521829.db2.gz KHDJEAWCXSMSMY-GOSISDBHSA-N 2 1 337.552 3.317 20 0 EGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCCCCCC[NH2+]CCC(C)C)C2 ZINC001179585475 1386524048 /nfs/dbraw/zinc/52/40/48/1386524048.db2.gz IPMWUCWZAVKKBY-SFHVURJKSA-N 2 1 348.535 3.066 20 0 EGADMP CC(C)CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179652961 1386540699 /nfs/dbraw/zinc/54/06/99/1386540699.db2.gz URQCYKKTYJJZKO-IRXDYDNUSA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001179742401 1386569445 /nfs/dbraw/zinc/56/94/45/1386569445.db2.gz WQCYLFPCWAWFIN-UHFFFAOYSA-N 2 1 348.535 3.463 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179788041 1386585923 /nfs/dbraw/zinc/58/59/23/1386585923.db2.gz KQKATWXMUAPMMS-MOPGFXCFSA-N 2 1 335.536 3.070 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]CCCF ZINC001179838584 1386602080 /nfs/dbraw/zinc/60/20/80/1386602080.db2.gz FLVOGSWHVYUBOG-UHFFFAOYSA-N 2 1 331.520 3.124 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]CC1CC1 ZINC001179838725 1386602989 /nfs/dbraw/zinc/60/29/89/1386602989.db2.gz MURGOVDKOQZKTM-UHFFFAOYSA-N 2 1 325.541 3.175 20 0 EGADMP Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC001180264229 1386750211 /nfs/dbraw/zinc/75/02/11/1386750211.db2.gz CWAKMSRUIMAYNG-HXUWFJFHSA-N 2 1 345.531 3.021 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001180353017 1386772369 /nfs/dbraw/zinc/77/23/69/1386772369.db2.gz YIDDPLAIKBCXKB-HDICACEKSA-N 2 1 337.552 3.316 20 0 EGADMP COc1ccc(C(C)(C)C[N@@H+](C)CCC[NH+]2CCCC2)cc1OC ZINC001181235196 1386964503 /nfs/dbraw/zinc/96/45/03/1386964503.db2.gz RNSMDRSWOLBGEN-UHFFFAOYSA-N 2 1 334.504 3.399 20 0 EGADMP COc1cc(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)ccn1 ZINC001181276600 1386971219 /nfs/dbraw/zinc/97/12/19/1386971219.db2.gz OTKAKVJNDHGFEU-QFBILLFUSA-N 2 1 331.504 3.408 20 0 EGADMP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001182001972 1387091897 /nfs/dbraw/zinc/09/18/97/1387091897.db2.gz XREUSPHEEAPZMH-SFHLNBCPSA-N 2 1 349.563 3.147 20 0 EGADMP Cc1cc(C)c(C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c(C)c1 ZINC001322183394 1387092611 /nfs/dbraw/zinc/09/26/11/1387092611.db2.gz QUQLRNPKDRNJJG-QUCCMNQESA-N 2 1 347.547 3.135 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001322229285 1387110822 /nfs/dbraw/zinc/11/08/22/1387110822.db2.gz AAHNOYNUSHPVID-YJBOKZPZSA-N 2 1 349.494 3.055 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C(=O)N(C)CC[NH+]1CCCC1)c1ccccc1 ZINC001182233885 1387127781 /nfs/dbraw/zinc/12/77/81/1387127781.db2.gz KHLPROJUXURPRX-HXUWFJFHSA-N 2 1 345.531 3.404 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)N[C@]1(C)CCC[NH+](C)C1)c1ccccc1 ZINC001182238558 1387128836 /nfs/dbraw/zinc/12/88/36/1387128836.db2.gz XWCIQSSIOQZSLD-PZJWPPBQSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+](CC)[C@H](C(=O)N[C@]1(C)CCC[N@H+](C)C1)c1ccccc1 ZINC001182238558 1387128841 /nfs/dbraw/zinc/12/88/41/1387128841.db2.gz XWCIQSSIOQZSLD-PZJWPPBQSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+](CC)[C@H](C(=O)N[C@]1(C)CCC[N@@H+](C)C1)c1ccccc1 ZINC001182238558 1387128844 /nfs/dbraw/zinc/12/88/44/1387128844.db2.gz XWCIQSSIOQZSLD-PZJWPPBQSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)NCC[C@H]1CCC[NH+]1C)c1ccccc1 ZINC001182236544 1387129483 /nfs/dbraw/zinc/12/94/83/1387129483.db2.gz ROUGSCRPOVFORG-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+](CC)[C@H](C(=O)NCC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001182236544 1387129487 /nfs/dbraw/zinc/12/94/87/1387129487.db2.gz ROUGSCRPOVFORG-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+](CC)[C@H](C(=O)NCC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001182236544 1387129491 /nfs/dbraw/zinc/12/94/91/1387129491.db2.gz ROUGSCRPOVFORG-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182589516 1387192824 /nfs/dbraw/zinc/19/28/24/1387192824.db2.gz HAEWMMZJJKXOTF-RTBURBONSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001182614178 1387196435 /nfs/dbraw/zinc/19/64/35/1387196435.db2.gz FBTPEWVUUKSMGY-WSTZPKSXSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]C/C=C/c1ccccc1 ZINC001331562470 1389800138 /nfs/dbraw/zinc/80/01/38/1389800138.db2.gz ZHGGNXGNLJDGCJ-HGZMWJMZSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CCCCC1CC[NH2+]CC1 ZINC001340166722 1390240656 /nfs/dbraw/zinc/24/06/56/1390240656.db2.gz CPCVFWBDNAPQCR-SFHVURJKSA-N 2 1 337.552 3.317 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)C1CC([NH2+]CC2CCCCC2)C1 ZINC001333128278 1390252934 /nfs/dbraw/zinc/25/29/34/1390252934.db2.gz JIEUGRVFCCVFJS-UHFFFAOYSA-N 2 1 346.519 3.131 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC001340912930 1390402941 /nfs/dbraw/zinc/40/29/41/1390402941.db2.gz WDVHMADDWCSIMH-ZBFHGGJFSA-N 2 1 333.476 3.036 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC001340912930 1390402943 /nfs/dbraw/zinc/40/29/43/1390402943.db2.gz WDVHMADDWCSIMH-ZBFHGGJFSA-N 2 1 333.476 3.036 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(Br)n2)C1 ZINC001334356634 1390524085 /nfs/dbraw/zinc/52/40/85/1390524085.db2.gz YIWFOYPXHKXZTB-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(Br)n2)C1 ZINC001334356634 1390524088 /nfs/dbraw/zinc/52/40/88/1390524088.db2.gz YIWFOYPXHKXZTB-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP CCC[N@@H+](CC1CC[NH+](C)CC1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC001343153888 1390695800 /nfs/dbraw/zinc/69/58/00/1390695800.db2.gz LFMLTMFCRJTEJU-KRWDZBQOSA-N 2 1 331.504 3.458 20 0 EGADMP O=C(O[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C[NH+]2CCCCC2)o1 ZINC001343532583 1390720811 /nfs/dbraw/zinc/72/08/11/1390720811.db2.gz IZKPTIIAQLYXSC-HOTGVXAUSA-N 2 1 332.444 3.049 20 0 EGADMP C[NH2+][C@@H](C)CCNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC001345105092 1390837663 /nfs/dbraw/zinc/83/76/63/1390837663.db2.gz PQCKFDKTTZIAHZ-HNNXBMFYSA-N 2 1 343.475 3.174 20 0 EGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)c1 ZINC001349366676 1391323954 /nfs/dbraw/zinc/32/39/54/1391323954.db2.gz DESFYWUXPWMAAI-SUMDDJOVSA-N 2 1 329.488 3.116 20 0 EGADMP Cc1cc(-c2noc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)n2)ccc1F ZINC001349388904 1391326129 /nfs/dbraw/zinc/32/61/29/1391326129.db2.gz GRRAVODZGJAFOL-UHFFFAOYSA-N 2 1 344.434 3.150 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC001479908670 1392476287 /nfs/dbraw/zinc/47/62/87/1392476287.db2.gz QFTNKOKRIPVEJZ-KUMUZEIWSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)c1ccccc1 ZINC001480173244 1392608989 /nfs/dbraw/zinc/60/89/89/1392608989.db2.gz CHCWFSVDCQQPDY-VAMGGRTRSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1)[NH+](C)C ZINC001480268094 1392651777 /nfs/dbraw/zinc/65/17/77/1392651777.db2.gz VTOFJWFXESVYFL-WOJBJXKFSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001480349008 1392699054 /nfs/dbraw/zinc/69/90/54/1392699054.db2.gz BWIHZIAVKRGAKY-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H]([NH2+][C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1 ZINC001480538242 1392784277 /nfs/dbraw/zinc/78/42/77/1392784277.db2.gz WCZMEDZVHMHDLJ-AEFFLSMTSA-N 2 1 333.520 3.210 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCCC2CCC2)C1)[NH+](C)C ZINC001480738869 1392904636 /nfs/dbraw/zinc/90/46/36/1392904636.db2.gz ISBPUFLLFGXBHT-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)Cc1cccc(F)c1 ZINC001481005011 1393083247 /nfs/dbraw/zinc/08/32/47/1393083247.db2.gz MUPKQNXULUUBME-QGZVFWFLSA-N 2 1 349.494 3.028 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC1CCCCCC1)C1CC1 ZINC001481171655 1393141293 /nfs/dbraw/zinc/14/12/93/1393141293.db2.gz KACGUMIZKVSYDF-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC1CCCCCC1)C1CC1 ZINC001481171655 1393141295 /nfs/dbraw/zinc/14/12/95/1393141295.db2.gz KACGUMIZKVSYDF-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC1CCCCCC1)C1CC1 ZINC001481171655 1393141297 /nfs/dbraw/zinc/14/12/97/1393141297.db2.gz KACGUMIZKVSYDF-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)c1ccccc1 ZINC001481386495 1394225281 /nfs/dbraw/zinc/22/52/81/1394225281.db2.gz SFTGOGAJLJPKDA-YSIASYRMSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1ccccc1 ZINC001481386495 1394225288 /nfs/dbraw/zinc/22/52/88/1394225288.db2.gz SFTGOGAJLJPKDA-YSIASYRMSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccccc1 ZINC001481386495 1394225290 /nfs/dbraw/zinc/22/52/90/1394225290.db2.gz SFTGOGAJLJPKDA-YSIASYRMSA-N 2 1 343.515 3.155 20 0 EGADMP CCCN(C(=O)CC[NH+](C)C1CCCCC1)[C@H]1CC[N@@H+](CCC)C1 ZINC001481402621 1394251742 /nfs/dbraw/zinc/25/17/42/1394251742.db2.gz AOYNRVGTVDWAGM-IBGZPJMESA-N 2 1 337.552 3.364 20 0 EGADMP CCCN(C(=O)CC[N@H+](C)C1CCCCC1)[C@H]1CC[NH+](CCC)C1 ZINC001481402621 1394251752 /nfs/dbraw/zinc/25/17/52/1394251752.db2.gz AOYNRVGTVDWAGM-IBGZPJMESA-N 2 1 337.552 3.364 20 0 EGADMP CCCN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@H]1CC[NH+](CCC)C1 ZINC001481402621 1394251755 /nfs/dbraw/zinc/25/17/55/1394251755.db2.gz AOYNRVGTVDWAGM-IBGZPJMESA-N 2 1 337.552 3.364 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccccc1 ZINC001698951240 1406691755 /nfs/dbraw/zinc/69/17/55/1406691755.db2.gz DZKXYACSNJIXTP-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(F)cc2)C1)[NH+](C)C ZINC001481528707 1394381948 /nfs/dbraw/zinc/38/19/48/1394381948.db2.gz ZFVIJZBTMILMJW-ATZDWAIDSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2ccc(F)cc2)C1)[NH+](C)C ZINC001481528707 1394381952 /nfs/dbraw/zinc/38/19/52/1394381952.db2.gz ZFVIJZBTMILMJW-ATZDWAIDSA-N 2 1 349.494 3.054 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001491120639 1394439160 /nfs/dbraw/zinc/43/91/60/1394439160.db2.gz PIPFKMJPAZMXPN-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2ccc(C)c(C)c2)CCCC1 ZINC001482234113 1394829362 /nfs/dbraw/zinc/82/93/62/1394829362.db2.gz PPDYHJXJGOEHDT-UHFFFAOYSA-N 2 1 345.531 3.164 20 0 EGADMP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C)c(C)c1 ZINC001482330673 1394900384 /nfs/dbraw/zinc/90/03/84/1394900384.db2.gz LDHIWNFSAHRZQS-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC[NH+](C)CCCC(C)(C)C)C1 ZINC001698993626 1406787305 /nfs/dbraw/zinc/78/73/05/1406787305.db2.gz MOAKCWNLTDXVOD-GOSISDBHSA-N 2 1 339.568 3.325 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)CC[N@H+](C)CCCC(C)(C)C)C1 ZINC001698993626 1406787309 /nfs/dbraw/zinc/78/73/09/1406787309.db2.gz MOAKCWNLTDXVOD-GOSISDBHSA-N 2 1 339.568 3.325 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)CC[N@@H+](C)CCCC(C)(C)C)C1 ZINC001698993626 1406787313 /nfs/dbraw/zinc/78/73/13/1406787313.db2.gz MOAKCWNLTDXVOD-GOSISDBHSA-N 2 1 339.568 3.325 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001485509043 1395988690 /nfs/dbraw/zinc/98/86/90/1395988690.db2.gz KWDHTFIZLVMJPI-UZLBHIALSA-N 2 1 343.515 3.059 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH+](C)[C@H](C)c2ccccc2)CC1 ZINC001485766739 1396143498 /nfs/dbraw/zinc/14/34/98/1396143498.db2.gz PYXWGBGGISBISS-GOSISDBHSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([N@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001485766739 1396143499 /nfs/dbraw/zinc/14/34/99/1396143499.db2.gz PYXWGBGGISBISS-GOSISDBHSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([N@@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001485766739 1396143500 /nfs/dbraw/zinc/14/35/00/1396143500.db2.gz PYXWGBGGISBISS-GOSISDBHSA-N 2 1 345.531 3.402 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1ccccc1F ZINC001699001132 1406810466 /nfs/dbraw/zinc/81/04/66/1406810466.db2.gz JOJCZYDRUYHFKF-VQIMIIECSA-N 2 1 349.494 3.150 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1ccccc1F ZINC001699001132 1406810471 /nfs/dbraw/zinc/81/04/71/1406810471.db2.gz JOJCZYDRUYHFKF-VQIMIIECSA-N 2 1 349.494 3.150 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)[C@H](C)c1ccccc1F ZINC001699001132 1406810474 /nfs/dbraw/zinc/81/04/74/1406810474.db2.gz JOJCZYDRUYHFKF-VQIMIIECSA-N 2 1 349.494 3.150 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccccc1F ZINC001699001132 1406810478 /nfs/dbraw/zinc/81/04/78/1406810478.db2.gz JOJCZYDRUYHFKF-VQIMIIECSA-N 2 1 349.494 3.150 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC001503645556 1396261374 /nfs/dbraw/zinc/26/13/74/1396261374.db2.gz FDXHLKLRPLWMGR-LSDHHAIUSA-N 2 1 339.911 3.226 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)c1ccccc1F ZINC001492317126 1396319073 /nfs/dbraw/zinc/31/90/73/1396319073.db2.gz WEUPTBAXVAPZFP-LPHOPBHVSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)c1ccccc1F ZINC001492317126 1396319074 /nfs/dbraw/zinc/31/90/74/1396319074.db2.gz WEUPTBAXVAPZFP-LPHOPBHVSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1F ZINC001492317126 1396319075 /nfs/dbraw/zinc/31/90/75/1396319075.db2.gz WEUPTBAXVAPZFP-LPHOPBHVSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC001492317126 1396319076 /nfs/dbraw/zinc/31/90/76/1396319076.db2.gz WEUPTBAXVAPZFP-LPHOPBHVSA-N 2 1 349.494 3.055 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001492873760 1396327648 /nfs/dbraw/zinc/32/76/48/1396327648.db2.gz SPDUMFAPTHYACZ-IBGZPJMESA-N 2 1 349.494 3.201 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H](CC)c1ccccc1 ZINC001493280699 1396338967 /nfs/dbraw/zinc/33/89/67/1396338967.db2.gz OEDQLNRPTFDQDM-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@@H](CC)c1ccccc1 ZINC001493280699 1396338968 /nfs/dbraw/zinc/33/89/68/1396338968.db2.gz OEDQLNRPTFDQDM-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@@H](CC)c1ccccc1 ZINC001493280699 1396338969 /nfs/dbraw/zinc/33/89/69/1396338969.db2.gz OEDQLNRPTFDQDM-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)(C)CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001494558239 1396468409 /nfs/dbraw/zinc/46/84/09/1396468409.db2.gz BOCAMYQCJWJTTK-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH2+]C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C1CCCCC1 ZINC001496319005 1396646693 /nfs/dbraw/zinc/64/66/93/1396646693.db2.gz WOOGJDKIYLMWNM-LJQANCHMSA-N 2 1 337.552 3.316 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001498454720 1397000480 /nfs/dbraw/zinc/00/04/80/1397000480.db2.gz DRNQLOUPWGMEMW-RTBURBONSA-N 2 1 345.531 3.369 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001690502047 1404615433 /nfs/dbraw/zinc/61/54/33/1404615433.db2.gz SZECTEVTKRPWHQ-WMZOPIPTSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001690502047 1404615435 /nfs/dbraw/zinc/61/54/35/1404615435.db2.gz SZECTEVTKRPWHQ-WMZOPIPTSA-N 2 1 346.519 3.023 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001690780802 1404729085 /nfs/dbraw/zinc/72/90/85/1404729085.db2.gz LYVPMCWZCRHTFJ-MSOLQXFVSA-N 2 1 339.568 3.418 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[N@H+](C)CC[C@H]1CCC[C@@H](C)C1 ZINC001690980495 1404890809 /nfs/dbraw/zinc/89/08/09/1404890809.db2.gz JQIXVHDURKPKPG-QZTJIDSGSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[N@@H+](C)CC[C@H]1CCC[C@@H](C)C1 ZINC001690980495 1404890814 /nfs/dbraw/zinc/89/08/14/1404890814.db2.gz JQIXVHDURKPKPG-QZTJIDSGSA-N 2 1 348.535 3.271 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC1CCC(C)(C)CC1 ZINC001691025816 1404937375 /nfs/dbraw/zinc/93/73/75/1404937375.db2.gz HNMXKQZOCHWNJG-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)CC1CCC(C)(C)CC1 ZINC001691025816 1404937376 /nfs/dbraw/zinc/93/73/76/1404937376.db2.gz HNMXKQZOCHWNJG-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)CC1CCC(C)(C)CC1 ZINC001691025816 1404937378 /nfs/dbraw/zinc/93/73/78/1404937378.db2.gz HNMXKQZOCHWNJG-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CCNC(=O)c1ccc2c[nH+]cn2c1C)CC1CCCCC1 ZINC001691029380 1404939556 /nfs/dbraw/zinc/93/95/56/1404939556.db2.gz IUSZITRAGYCCQH-UHFFFAOYSA-N 2 1 342.487 3.275 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC001691114801 1405056008 /nfs/dbraw/zinc/05/60/08/1405056008.db2.gz WQBYPNOASKTKAD-RLLQIKCJSA-N 2 1 349.563 3.173 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1cc(C)ccc1C ZINC001691188719 1405126447 /nfs/dbraw/zinc/12/64/47/1405126447.db2.gz FXRLBVZXCKJGPP-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1cc(C)ccc1C ZINC001691188719 1405126449 /nfs/dbraw/zinc/12/64/49/1405126449.db2.gz FXRLBVZXCKJGPP-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1cc(C)ccc1C ZINC001691188719 1405126455 /nfs/dbraw/zinc/12/64/55/1405126455.db2.gz FXRLBVZXCKJGPP-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NCC[N@@H+](CCC2CCCC2)C2CC2)CC1 ZINC001691232987 1405173071 /nfs/dbraw/zinc/17/30/71/1405173071.db2.gz SOHHOHBOMKRUEO-UHFFFAOYSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001691898449 1405620831 /nfs/dbraw/zinc/62/08/31/1405620831.db2.gz PRWISWOPFXSYDP-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001698584145 1406198880 /nfs/dbraw/zinc/19/88/80/1406198880.db2.gz LHSCCWVKDYUDCX-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001698586028 1406203142 /nfs/dbraw/zinc/20/31/42/1406203142.db2.gz OMNHSBXOPDYZPF-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP C[NH+](C)C1(C(=O)NC2C[NH+](CC3CCC(C(C)(C)C)CC3)C2)CCC1 ZINC001732101859 1428361751 /nfs/dbraw/zinc/36/17/51/1428361751.db2.gz VZMMKIPRASQIAJ-UHFFFAOYSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001732534333 1428655145 /nfs/dbraw/zinc/65/51/45/1428655145.db2.gz XCOGQZTXNLLJKW-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001699467823 1412839339 /nfs/dbraw/zinc/83/93/39/1412839339.db2.gz OGUUYQDTGUIFST-MOPGFXCFSA-N 2 1 345.531 3.224 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699471748 1412853907 /nfs/dbraw/zinc/85/39/07/1412853907.db2.gz LQGXWRNWAOBRNP-ROUUACIJSA-N 2 1 339.568 3.226 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699471747 1412853941 /nfs/dbraw/zinc/85/39/41/1412853941.db2.gz LQGXWRNWAOBRNP-QZTJIDSGSA-N 2 1 339.568 3.226 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001699738033 1413148752 /nfs/dbraw/zinc/14/87/52/1413148752.db2.gz JNKUEBYWKIQWFZ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001699758575 1413164672 /nfs/dbraw/zinc/16/46/72/1413164672.db2.gz LDZHNBMQOOAHOT-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)C1CCC1)c1ccc2ccccc2c1 ZINC001699788779 1413194315 /nfs/dbraw/zinc/19/43/15/1413194315.db2.gz GWRPYZQJKHDHRJ-FQEVSTJZSA-N 2 1 339.483 3.091 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001699854273 1413284620 /nfs/dbraw/zinc/28/46/20/1413284620.db2.gz PMPJKVFZMIWBFI-HXUWFJFHSA-N 2 1 337.552 3.127 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCC2(C)CC[NH+](CCCC3CCC3)CC2)CC[N@H+]1C ZINC001699862274 1413297019 /nfs/dbraw/zinc/29/70/19/1413297019.db2.gz QZGVBEXTBCHOEM-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001699975494 1413416575 /nfs/dbraw/zinc/41/65/75/1413416575.db2.gz DHIGHYOUOVGGBV-REPLKXPHSA-N 2 1 349.563 3.266 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001700203516 1413648814 /nfs/dbraw/zinc/64/88/14/1413648814.db2.gz RVXLQWPQOMAEIY-OALUTQOASA-N 2 1 345.531 3.369 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2C)CC1 ZINC001700203516 1413648817 /nfs/dbraw/zinc/64/88/17/1413648817.db2.gz RVXLQWPQOMAEIY-OALUTQOASA-N 2 1 345.531 3.369 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2C)CC1 ZINC001700203516 1413648818 /nfs/dbraw/zinc/64/88/18/1413648818.db2.gz RVXLQWPQOMAEIY-OALUTQOASA-N 2 1 345.531 3.369 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)Cc1ccc2ccccc2c1 ZINC001700481228 1414117815 /nfs/dbraw/zinc/11/78/15/1414117815.db2.gz PHNHIYFXXOLPAV-KRWDZBQOSA-N 2 1 341.499 3.118 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)Cc1ccc2ccccc2c1 ZINC001700481228 1414117816 /nfs/dbraw/zinc/11/78/16/1414117816.db2.gz PHNHIYFXXOLPAV-KRWDZBQOSA-N 2 1 341.499 3.118 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC001700481228 1414117821 /nfs/dbraw/zinc/11/78/21/1414117821.db2.gz PHNHIYFXXOLPAV-KRWDZBQOSA-N 2 1 341.499 3.118 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001700482241 1414121436 /nfs/dbraw/zinc/12/14/36/1414121436.db2.gz XRRPWMXFGBIQOX-UYAOXDASSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CC2CCCCC2)CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001700841274 1414491191 /nfs/dbraw/zinc/49/11/91/1414491191.db2.gz LVQZHBSAYIHQAM-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001700998371 1414648665 /nfs/dbraw/zinc/64/86/65/1414648665.db2.gz NWXFXONNUAPIEC-QGZVFWFLSA-N 2 1 325.541 3.029 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCC1 ZINC001707059237 1417174230 /nfs/dbraw/zinc/17/42/30/1417174230.db2.gz VSDMXVOELZJNLT-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001707059237 1417174234 /nfs/dbraw/zinc/17/42/34/1417174234.db2.gz VSDMXVOELZJNLT-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1c(C(=O)N[C@H](C)C[N@@H+](C)CC2CCCCC2)ccc2c[nH+]cn21 ZINC001733044628 1429177199 /nfs/dbraw/zinc/17/71/99/1429177199.db2.gz ZRZKQGDHNLZYSG-OAHLLOKOSA-N 2 1 342.487 3.273 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1CCCCC1 ZINC001707450149 1417354295 /nfs/dbraw/zinc/35/42/95/1417354295.db2.gz ZMJABCKWNHVWFX-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001713102349 1417657149 /nfs/dbraw/zinc/65/71/49/1417657149.db2.gz VTZWXGRBWQEAJB-UHFFFAOYSA-N 2 1 345.531 3.231 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1cc(C)cc(C)c1 ZINC001713256303 1417857253 /nfs/dbraw/zinc/85/72/53/1417857253.db2.gz DRNUFDBOFZOSOO-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C)cc(C)c1 ZINC001713256303 1417857256 /nfs/dbraw/zinc/85/72/56/1417857256.db2.gz DRNUFDBOFZOSOO-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C)cc(C)c1 ZINC001713256303 1417857262 /nfs/dbraw/zinc/85/72/62/1417857262.db2.gz DRNUFDBOFZOSOO-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001713291635 1417919596 /nfs/dbraw/zinc/91/95/96/1417919596.db2.gz SFYWDRGGFIGCFO-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001713360956 1417975804 /nfs/dbraw/zinc/97/58/04/1417975804.db2.gz SBLZRZHMBQNUSW-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001713399964 1418020368 /nfs/dbraw/zinc/02/03/68/1418020368.db2.gz WVGOFPDNJISYGE-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2cc(C)cc(C)c2)C1 ZINC001713399691 1418021171 /nfs/dbraw/zinc/02/11/71/1418021171.db2.gz RGPQQDNQIYHGFZ-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001713399691 1418021175 /nfs/dbraw/zinc/02/11/75/1418021175.db2.gz RGPQQDNQIYHGFZ-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001713399691 1418021178 /nfs/dbraw/zinc/02/11/78/1418021178.db2.gz RGPQQDNQIYHGFZ-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1cccc(C)c1C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001713469169 1418135476 /nfs/dbraw/zinc/13/54/76/1418135476.db2.gz BLYIYZBREUMBKO-FQEVSTJZSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1cccc(C)c1C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001713469169 1418135479 /nfs/dbraw/zinc/13/54/79/1418135479.db2.gz BLYIYZBREUMBKO-FQEVSTJZSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001713469169 1418135480 /nfs/dbraw/zinc/13/54/80/1418135480.db2.gz BLYIYZBREUMBKO-FQEVSTJZSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001713625530 1418398824 /nfs/dbraw/zinc/39/88/24/1418398824.db2.gz AFEAAKWCMRUNNL-WMZOPIPTSA-N 2 1 349.494 3.057 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH+](C)Cc2ccccc2C)CC1 ZINC001713766452 1418580426 /nfs/dbraw/zinc/58/04/26/1418580426.db2.gz AENDRYUDABHCRU-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC(C[N@H+](C)Cc2ccccc2C)CC1 ZINC001713766452 1418580427 /nfs/dbraw/zinc/58/04/27/1418580427.db2.gz AENDRYUDABHCRU-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2C)CC1 ZINC001713766452 1418580430 /nfs/dbraw/zinc/58/04/30/1418580430.db2.gz AENDRYUDABHCRU-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001713825921 1418625859 /nfs/dbraw/zinc/62/58/59/1418625859.db2.gz JONLNDFZGJVEBI-INIZCTEOSA-N 2 1 349.544 3.092 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001713825921 1418625861 /nfs/dbraw/zinc/62/58/61/1418625861.db2.gz JONLNDFZGJVEBI-INIZCTEOSA-N 2 1 349.544 3.092 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001713825921 1418625862 /nfs/dbraw/zinc/62/58/62/1418625862.db2.gz JONLNDFZGJVEBI-INIZCTEOSA-N 2 1 349.544 3.092 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001713826094 1418626053 /nfs/dbraw/zinc/62/60/53/1418626053.db2.gz ULAWJPTYSOPQQG-RJCMGOLDSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001713826094 1418626056 /nfs/dbraw/zinc/62/60/56/1418626056.db2.gz ULAWJPTYSOPQQG-RJCMGOLDSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001713826094 1418626059 /nfs/dbraw/zinc/62/60/59/1418626059.db2.gz ULAWJPTYSOPQQG-RJCMGOLDSA-N 2 1 335.536 3.044 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CC[N@@H+](CCCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001713825804 1418626220 /nfs/dbraw/zinc/62/62/20/1418626220.db2.gz BUFLMWGJQGCJTK-MRXNPFEDSA-N 2 1 342.487 3.273 20 0 EGADMP CCCCCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001713971936 1418750312 /nfs/dbraw/zinc/75/03/12/1418750312.db2.gz IQGBRQVQFSZCOD-MRXNPFEDSA-N 2 1 337.533 3.194 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001713971936 1418750317 /nfs/dbraw/zinc/75/03/17/1418750317.db2.gz IQGBRQVQFSZCOD-MRXNPFEDSA-N 2 1 337.533 3.194 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NCCC2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001714331135 1419111290 /nfs/dbraw/zinc/11/12/90/1419111290.db2.gz NYBLXTFDMJUEBF-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C)CC2 ZINC001714366736 1419126216 /nfs/dbraw/zinc/12/62/16/1419126216.db2.gz RXFVWEVMVGGXDT-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001714366736 1419126217 /nfs/dbraw/zinc/12/62/17/1419126217.db2.gz RXFVWEVMVGGXDT-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001714366736 1419126221 /nfs/dbraw/zinc/12/62/21/1419126221.db2.gz RXFVWEVMVGGXDT-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001714448320 1419180772 /nfs/dbraw/zinc/18/07/72/1419180772.db2.gz PFJSIWOGMUGPBB-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001714448320 1419180776 /nfs/dbraw/zinc/18/07/76/1419180776.db2.gz PFJSIWOGMUGPBB-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001714448320 1419180778 /nfs/dbraw/zinc/18/07/78/1419180778.db2.gz PFJSIWOGMUGPBB-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP C[C@H](c1ccccc1F)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714543549 1419269675 /nfs/dbraw/zinc/26/96/75/1419269675.db2.gz PVKAIJYZZSZJCK-MRXNPFEDSA-N 2 1 349.494 3.199 20 0 EGADMP C[C@H](c1ccccc1F)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714543549 1419269678 /nfs/dbraw/zinc/26/96/78/1419269678.db2.gz PVKAIJYZZSZJCK-MRXNPFEDSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH+](C)Cc2ccc(C)cc2)CC1 ZINC001714911366 1419658120 /nfs/dbraw/zinc/65/81/20/1419658120.db2.gz BEXHYRRORBSLQP-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC(C[N@H+](C)Cc2ccc(C)cc2)CC1 ZINC001714911366 1419658124 /nfs/dbraw/zinc/65/81/24/1419658124.db2.gz BEXHYRRORBSLQP-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC(C[N@@H+](C)Cc2ccc(C)cc2)CC1 ZINC001714911366 1419658128 /nfs/dbraw/zinc/65/81/28/1419658128.db2.gz BEXHYRRORBSLQP-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001714992248 1419724857 /nfs/dbraw/zinc/72/48/57/1419724857.db2.gz GKJYLUZGXTXGOV-IHPCNDPISA-N 2 1 349.563 3.074 20 0 EGADMP CC(C)[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001715384421 1420080912 /nfs/dbraw/zinc/08/09/12/1420080912.db2.gz IJIWQSPANDUCLF-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001715394609 1420092127 /nfs/dbraw/zinc/09/21/27/1420092127.db2.gz ZMNGVNSGQJFNEK-LPHOPBHVSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@@H+](C)CCC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001715497388 1420178883 /nfs/dbraw/zinc/17/88/83/1420178883.db2.gz GJYGOAWCVDYYSL-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CCCC(C)(C)C)C1)C1CCC1 ZINC001716048505 1420512593 /nfs/dbraw/zinc/51/25/93/1420512593.db2.gz AWWLMCUKIIKIEK-IEBWSBKVSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCC(C)(C)C)C1)C1CCC1 ZINC001716048505 1420512595 /nfs/dbraw/zinc/51/25/95/1420512595.db2.gz AWWLMCUKIIKIEK-IEBWSBKVSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCCC(C)(C)C)C1)C1CCC1 ZINC001716048505 1420512596 /nfs/dbraw/zinc/51/25/96/1420512596.db2.gz AWWLMCUKIIKIEK-IEBWSBKVSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H](C[N@@H+](C)CC1CCC(C)(C)CC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001716481979 1420699020 /nfs/dbraw/zinc/69/90/20/1420699020.db2.gz AQIUNGWPCSZUOS-INIZCTEOSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001716485003 1420703604 /nfs/dbraw/zinc/70/36/04/1420703604.db2.gz LXYFKYGSRPKWOQ-MJGOQNOKSA-N 2 1 343.515 3.203 20 0 EGADMP Cc1c(C(=O)NC[C@]2(C)CCC[N@H+](CC(C)C)C2)ccc2c[nH+]cn21 ZINC001716896749 1421024189 /nfs/dbraw/zinc/02/41/89/1421024189.db2.gz ROQYTMZSROTCMQ-FQEVSTJZSA-N 2 1 342.487 3.131 20 0 EGADMP CC[N@@H+](CC(C)C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001717357338 1421293309 /nfs/dbraw/zinc/29/33/09/1421293309.db2.gz JWRSXJPIPTWLJY-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](CC(C)C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001717357338 1421293310 /nfs/dbraw/zinc/29/33/10/1421293310.db2.gz JWRSXJPIPTWLJY-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](CC(C)C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001717357338 1421293313 /nfs/dbraw/zinc/29/33/13/1421293313.db2.gz JWRSXJPIPTWLJY-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1ccc(C)c(C[N@H+](C)C[C@@H]2CCCN2C(=O)CCC[NH+](C)C)c1 ZINC001717370852 1421309848 /nfs/dbraw/zinc/30/98/48/1421309848.db2.gz JRLJOCJVVQHZOX-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)[C@H]1C ZINC001717859821 1421672118 /nfs/dbraw/zinc/67/21/18/1421672118.db2.gz FOJDHQIIDPJLFP-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)[C@H]1C ZINC001717859821 1421672119 /nfs/dbraw/zinc/67/21/19/1421672119.db2.gz FOJDHQIIDPJLFP-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)[C@H]1C ZINC001717859821 1421672120 /nfs/dbraw/zinc/67/21/20/1421672120.db2.gz FOJDHQIIDPJLFP-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(CC)cc2)[C@H]1C ZINC001717861628 1421674363 /nfs/dbraw/zinc/67/43/63/1421674363.db2.gz ZANUPWCZLHXAGK-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(CC)cc2)[C@H]1C ZINC001717861628 1421674366 /nfs/dbraw/zinc/67/43/66/1421674366.db2.gz ZANUPWCZLHXAGK-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(CC)cc2)[C@H]1C ZINC001717861628 1421674369 /nfs/dbraw/zinc/67/43/69/1421674369.db2.gz ZANUPWCZLHXAGK-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C[C@@H]1C ZINC001733335174 1429519545 /nfs/dbraw/zinc/51/95/45/1429519545.db2.gz FWIRVQPAJFUBPG-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@@H](C)c1ccccc1Cl ZINC001722904621 1424230833 /nfs/dbraw/zinc/23/08/33/1424230833.db2.gz KALIFCLOIVQMLX-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC001722904621 1424230835 /nfs/dbraw/zinc/23/08/35/1424230835.db2.gz KALIFCLOIVQMLX-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC001722904621 1424230838 /nfs/dbraw/zinc/23/08/38/1424230838.db2.gz KALIFCLOIVQMLX-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@]2(C)CC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001724179831 1424716085 /nfs/dbraw/zinc/71/60/85/1424716085.db2.gz QINUTKKECTXNHK-NRFANRHFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CCC2CCCCCC2)[C@@H](C)C1 ZINC001724944849 1425329743 /nfs/dbraw/zinc/32/97/43/1425329743.db2.gz HQEYFRJACFRUOH-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CCCC1CCCC1 ZINC001724991467 1425394415 /nfs/dbraw/zinc/39/44/15/1425394415.db2.gz HICYURVZYXPHGP-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CCCC1CCCC1 ZINC001724991467 1425394419 /nfs/dbraw/zinc/39/44/19/1425394419.db2.gz HICYURVZYXPHGP-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CCCC1CCCC1 ZINC001724991467 1425394423 /nfs/dbraw/zinc/39/44/23/1425394423.db2.gz HICYURVZYXPHGP-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2F)[C@H](C)C1 ZINC001725002639 1425411978 /nfs/dbraw/zinc/41/19/78/1425411978.db2.gz LMQGBFPWRUXSTK-AEFFLSMTSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2F)[C@H](C)C1 ZINC001725002639 1425411985 /nfs/dbraw/zinc/41/19/85/1425411985.db2.gz LMQGBFPWRUXSTK-AEFFLSMTSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2F)[C@H](C)C1 ZINC001725002639 1425411988 /nfs/dbraw/zinc/41/19/88/1425411988.db2.gz LMQGBFPWRUXSTK-AEFFLSMTSA-N 2 1 349.494 3.027 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001725003484 1425413967 /nfs/dbraw/zinc/41/39/67/1425413967.db2.gz PQQZJDJWAQRCBT-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001725003484 1425413970 /nfs/dbraw/zinc/41/39/70/1425413970.db2.gz PQQZJDJWAQRCBT-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001725003484 1425413973 /nfs/dbraw/zinc/41/39/73/1425413973.db2.gz PQQZJDJWAQRCBT-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@@H+](CC)CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001725025300 1425443748 /nfs/dbraw/zinc/44/37/48/1425443748.db2.gz DQJJYAHWXNADIJ-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)cc1C ZINC001725612728 1426273909 /nfs/dbraw/zinc/27/39/09/1426273909.db2.gz ACCWCKFCCSASAB-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001731297633 1427240309 /nfs/dbraw/zinc/24/03/09/1427240309.db2.gz UJNWKCRCYNOIRY-MJGOQNOKSA-N 2 1 337.552 3.410 20 0 EGADMP C[NH+](CCC1CC1)[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001731709817 1427765791 /nfs/dbraw/zinc/76/57/91/1427765791.db2.gz FVAYWAKYGAFEHX-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1)C1CCCCC1 ZINC001731709817 1427765796 /nfs/dbraw/zinc/76/57/96/1427765796.db2.gz FVAYWAKYGAFEHX-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1)C1CCCCC1 ZINC001731709817 1427765799 /nfs/dbraw/zinc/76/57/99/1427765799.db2.gz FVAYWAKYGAFEHX-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1c(C(=O)NCC[N@@H+](Cc2ccccc2)C2CC2)ccc2c[nH+]cn21 ZINC001731877785 1428144403 /nfs/dbraw/zinc/14/44/03/1428144403.db2.gz LQNHMHRVPRGBME-UHFFFAOYSA-N 2 1 348.450 3.037 20 0 EGADMP CCc1ccc(C[N@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)CC2)cc1 ZINC001733762487 1429979096 /nfs/dbraw/zinc/97/90/96/1429979096.db2.gz NXFFJSMPXKINBZ-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2)CC1 ZINC001733770428 1429999417 /nfs/dbraw/zinc/99/94/17/1429999417.db2.gz RRVBJAPWTNRTIM-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2)CC1 ZINC001733770428 1429999418 /nfs/dbraw/zinc/99/94/18/1429999418.db2.gz RRVBJAPWTNRTIM-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001733941822 1437758020 /nfs/dbraw/zinc/75/80/20/1437758020.db2.gz RDFHREKKGVCJLV-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH2+]C1CCC(N(C)C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001734011526 1437803031 /nfs/dbraw/zinc/80/30/31/1437803031.db2.gz SBVHLGNIBLOBRH-UHFFFAOYSA-N 2 1 337.552 3.410 20 0 EGADMP CCCCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC001734199363 1437940634 /nfs/dbraw/zinc/94/06/34/1437940634.db2.gz WHPHEAZCXAVNHB-RLLQIKCJSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)[C@@H](C)c2ccccc2F)CC1 ZINC001734270843 1437999153 /nfs/dbraw/zinc/99/91/53/1437999153.db2.gz CXPRWMFVUFAGCL-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)[C@@H](C)c2ccccc2F)CC1 ZINC001734270843 1437999156 /nfs/dbraw/zinc/99/91/56/1437999156.db2.gz CXPRWMFVUFAGCL-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)[C@@H](C)c2ccccc2F)CC1 ZINC001734270843 1437999159 /nfs/dbraw/zinc/99/91/59/1437999159.db2.gz CXPRWMFVUFAGCL-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([NH2+]CCC2CCCC2)[C@H]1C ZINC001734401748 1438083127 /nfs/dbraw/zinc/08/31/27/1438083127.db2.gz YCZUJYVMSKPNGD-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[N@@H+](C)CCCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001752008418 1440132401 /nfs/dbraw/zinc/13/24/01/1440132401.db2.gz GJVXZHQWYJOKOK-MOPGFXCFSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CCC1CCCC1 ZINC001752073613 1440137925 /nfs/dbraw/zinc/13/79/25/1440137925.db2.gz REJHXVWZIWUCHK-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCCC[N@H+](C)CCC1CCCC1 ZINC001752073613 1440137926 /nfs/dbraw/zinc/13/79/26/1440137926.db2.gz REJHXVWZIWUCHK-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CCC1CCCC1 ZINC001752073613 1440137927 /nfs/dbraw/zinc/13/79/27/1440137927.db2.gz REJHXVWZIWUCHK-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CN(C(=O)CC[C@H]1CCC[N@H+]1C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001752301972 1440167766 /nfs/dbraw/zinc/16/77/66/1440167766.db2.gz WAOHCUKOSYZJRK-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001752428480 1440177884 /nfs/dbraw/zinc/17/78/84/1440177884.db2.gz ZPAIXHZSOKKENH-SJORKVTESA-N 2 1 346.519 3.167 20 0 EGADMP CCCN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001752440109 1440181135 /nfs/dbraw/zinc/18/11/35/1440181135.db2.gz SNWTWGRYJBJFGF-PKOBYXMFSA-N 2 1 335.536 3.115 20 0 EGADMP C[N@@H+](CCCC1CCCC1)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001752525359 1440192840 /nfs/dbraw/zinc/19/28/40/1440192840.db2.gz MCRSURJTWQWWGW-FQEVSTJZSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001752732029 1440204053 /nfs/dbraw/zinc/20/40/53/1440204053.db2.gz YCWCAAYNWVASTA-GBESFXJTSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001752816381 1440218225 /nfs/dbraw/zinc/21/82/25/1440218225.db2.gz ZSJRTIULZJRCMF-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001752836956 1440228259 /nfs/dbraw/zinc/22/82/59/1440228259.db2.gz QEFOGOVLOZSFBU-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001752840124 1440229871 /nfs/dbraw/zinc/22/98/71/1440229871.db2.gz GWBOWQXYHWGLJT-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001752840124 1440229872 /nfs/dbraw/zinc/22/98/72/1440229872.db2.gz GWBOWQXYHWGLJT-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001752840124 1440229873 /nfs/dbraw/zinc/22/98/73/1440229873.db2.gz GWBOWQXYHWGLJT-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001752854823 1440234582 /nfs/dbraw/zinc/23/45/82/1440234582.db2.gz WLJYMXFDJVWPIO-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)c1ccc(F)cc1 ZINC001753056278 1440281481 /nfs/dbraw/zinc/28/14/81/1440281481.db2.gz ZGOIEDHOQGQNTJ-LPHOPBHVSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001753056278 1440281482 /nfs/dbraw/zinc/28/14/82/1440281482.db2.gz ZGOIEDHOQGQNTJ-LPHOPBHVSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001753056278 1440281483 /nfs/dbraw/zinc/28/14/83/1440281483.db2.gz ZGOIEDHOQGQNTJ-LPHOPBHVSA-N 2 1 349.494 3.055 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CCC1CCCCC1 ZINC001753085301 1440295925 /nfs/dbraw/zinc/29/59/25/1440295925.db2.gz VOTTVYGPJQXLAJ-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)CCC1CCCCC1 ZINC001753085301 1440295926 /nfs/dbraw/zinc/29/59/26/1440295926.db2.gz VOTTVYGPJQXLAJ-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)CCC1CCCCC1 ZINC001753085301 1440295927 /nfs/dbraw/zinc/29/59/27/1440295927.db2.gz VOTTVYGPJQXLAJ-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001753103599 1440305349 /nfs/dbraw/zinc/30/53/49/1440305349.db2.gz MVRBBNLFQGLUTF-GOSISDBHSA-N 2 1 337.552 3.410 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001753103599 1440305350 /nfs/dbraw/zinc/30/53/50/1440305350.db2.gz MVRBBNLFQGLUTF-GOSISDBHSA-N 2 1 337.552 3.410 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001753103599 1440305351 /nfs/dbraw/zinc/30/53/51/1440305351.db2.gz MVRBBNLFQGLUTF-GOSISDBHSA-N 2 1 337.552 3.410 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)CC1CCCCC1 ZINC001753143456 1440322906 /nfs/dbraw/zinc/32/29/06/1440322906.db2.gz SLKLFJZWSNKAML-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)CC1CCCCC1 ZINC001753143456 1440322907 /nfs/dbraw/zinc/32/29/07/1440322907.db2.gz SLKLFJZWSNKAML-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)CC1CCCCC1 ZINC001753143456 1440322908 /nfs/dbraw/zinc/32/29/08/1440322908.db2.gz SLKLFJZWSNKAML-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CN(CC[NH2+]CC1CCCC1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001753222650 1440340291 /nfs/dbraw/zinc/34/02/91/1440340291.db2.gz IVKACTOKCTVDBR-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CCCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001753316365 1440359900 /nfs/dbraw/zinc/35/99/00/1440359900.db2.gz PUHDBBWTWDQLNK-WMZOPIPTSA-N 2 1 346.519 3.120 20 0 EGADMP CCCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001753316365 1440359901 /nfs/dbraw/zinc/35/99/01/1440359901.db2.gz PUHDBBWTWDQLNK-WMZOPIPTSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001753334154 1440371274 /nfs/dbraw/zinc/37/12/74/1440371274.db2.gz CTWBUAAGRDGWHO-PMACEKPBSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001753334154 1440371275 /nfs/dbraw/zinc/37/12/75/1440371275.db2.gz CTWBUAAGRDGWHO-PMACEKPBSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001753334154 1440371276 /nfs/dbraw/zinc/37/12/76/1440371276.db2.gz CTWBUAAGRDGWHO-PMACEKPBSA-N 2 1 349.563 3.127 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC(C[N@H+](C)CC(C)C)CC1 ZINC001753363733 1440384062 /nfs/dbraw/zinc/38/40/62/1440384062.db2.gz CBQCNJFCBMVKNK-KRWDZBQOSA-N 2 1 348.535 3.223 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC(C[N@@H+](C)CC(C)C)CC1 ZINC001753363733 1440384063 /nfs/dbraw/zinc/38/40/63/1440384063.db2.gz CBQCNJFCBMVKNK-KRWDZBQOSA-N 2 1 348.535 3.223 20 0 EGADMP C[N@@H+](CCC1CCCCC1)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001753367406 1440386098 /nfs/dbraw/zinc/38/60/98/1440386098.db2.gz IPABUKBNIRCAME-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCC1CCCCC1)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001753367406 1440386099 /nfs/dbraw/zinc/38/60/99/1440386099.db2.gz IPABUKBNIRCAME-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCC1CCCCC1)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001753367406 1440386100 /nfs/dbraw/zinc/38/61/00/1440386100.db2.gz IPABUKBNIRCAME-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001753438441 1440400807 /nfs/dbraw/zinc/40/08/07/1440400807.db2.gz ZJCYCHJOLMQEPX-YZPMEYCISA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001753438441 1440400808 /nfs/dbraw/zinc/40/08/08/1440400808.db2.gz ZJCYCHJOLMQEPX-YZPMEYCISA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001753438441 1440400809 /nfs/dbraw/zinc/40/08/09/1440400809.db2.gz ZJCYCHJOLMQEPX-YZPMEYCISA-N 2 1 335.536 3.138 20 0 EGADMP CN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001753440192 1440401578 /nfs/dbraw/zinc/40/15/78/1440401578.db2.gz UYEABWDOGGGYNR-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001753440192 1440401579 /nfs/dbraw/zinc/40/15/79/1440401579.db2.gz UYEABWDOGGGYNR-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)CC[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001753440192 1440401580 /nfs/dbraw/zinc/40/15/80/1440401580.db2.gz UYEABWDOGGGYNR-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)C[NH+]1CCC(C)CC1)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001753460187 1440410119 /nfs/dbraw/zinc/41/01/19/1440410119.db2.gz YFISAEISVTZNKV-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCc1ccccc1C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001753471495 1440414013 /nfs/dbraw/zinc/41/40/13/1440414013.db2.gz NWWKPZRMOBXODP-UXHICEINSA-N 2 1 345.531 3.106 20 0 EGADMP CCc1ccccc1C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001753471496 1440414098 /nfs/dbraw/zinc/41/40/98/1440414098.db2.gz NWWKPZRMOBXODP-VQTJNVASSA-N 2 1 345.531 3.106 20 0 EGADMP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C)cc1C ZINC001753477954 1440415651 /nfs/dbraw/zinc/41/56/51/1440415651.db2.gz RGTMSVRSDAKIPV-PMACEKPBSA-N 2 1 345.531 3.162 20 0 EGADMP CC[C@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC001753511801 1440426207 /nfs/dbraw/zinc/42/62/07/1440426207.db2.gz MSBNCZUEMPMPQT-MOPGFXCFSA-N 2 1 343.515 3.108 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001753550406 1440434963 /nfs/dbraw/zinc/43/49/63/1440434963.db2.gz QBIRQAJLBXVESK-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)=CC[NH+]1CCC(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001753594856 1440444230 /nfs/dbraw/zinc/44/42/30/1440444230.db2.gz MDRJKXHXPGNXGC-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001753664706 1440459803 /nfs/dbraw/zinc/45/98/03/1440459803.db2.gz ZWDNEQRBXRHPBZ-SFHVURJKSA-N 2 1 337.552 3.314 20 0 EGADMP C[C@@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001753708833 1440470018 /nfs/dbraw/zinc/47/00/18/1440470018.db2.gz MNOJQAKURJQJSY-LNLFQRSKSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001753708475 1440470034 /nfs/dbraw/zinc/47/00/34/1440470034.db2.gz GXWWRXKMODQBRS-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)=CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001753759302 1440483714 /nfs/dbraw/zinc/48/37/14/1440483714.db2.gz LBSUUTNGSZPUJN-QUCCMNQESA-N 2 1 349.563 3.434 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCC(C)C ZINC001753811685 1440492917 /nfs/dbraw/zinc/49/29/17/1440492917.db2.gz MCPPMYHESCJUPK-PKOBYXMFSA-N 2 1 348.535 3.235 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC(CC[N@@H+](C)C(C)C)CC1)[NH+]1CCCC1 ZINC001753823395 1440497273 /nfs/dbraw/zinc/49/72/73/1440497273.db2.gz HJDKQKQVPUEKOH-LJQANCHMSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)[NH2+]CC1=CCCCC1 ZINC001753829993 1440499463 /nfs/dbraw/zinc/49/94/63/1440499463.db2.gz ROVLOECTZYPBAV-RTBURBONSA-N 2 1 335.536 3.090 20 0 EGADMP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)[NH2+]CC1=CCCCC1 ZINC001753829992 1440499511 /nfs/dbraw/zinc/49/95/11/1440499511.db2.gz ROVLOECTZYPBAV-RBUKOAKNSA-N 2 1 335.536 3.090 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1cccc(C)c1 ZINC001753854195 1440508289 /nfs/dbraw/zinc/50/82/89/1440508289.db2.gz AJRUQJWPHKNJKY-QUCCMNQESA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)[C@H](C)c1cccc(C)c1 ZINC001753854195 1440508290 /nfs/dbraw/zinc/50/82/90/1440508290.db2.gz AJRUQJWPHKNJKY-QUCCMNQESA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC001753854195 1440508291 /nfs/dbraw/zinc/50/82/91/1440508291.db2.gz AJRUQJWPHKNJKY-QUCCMNQESA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CCC(C)CC1 ZINC001753854558 1440508395 /nfs/dbraw/zinc/50/83/95/1440508395.db2.gz ORJWHIYSORLRSD-ACBHZAAOSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CC1CCC(C)CC1 ZINC001753854558 1440508396 /nfs/dbraw/zinc/50/83/96/1440508396.db2.gz ORJWHIYSORLRSD-ACBHZAAOSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC1CCC(C)CC1 ZINC001753854558 1440508397 /nfs/dbraw/zinc/50/83/97/1440508397.db2.gz ORJWHIYSORLRSD-ACBHZAAOSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccccc1)[NH+]1CCCCCC1 ZINC001753864624 1440513478 /nfs/dbraw/zinc/51/34/78/1440513478.db2.gz QZKMBPWFUMMXQQ-OALUTQOASA-N 2 1 345.531 3.402 20 0 EGADMP CN(CC[N@@H+](C)CCC1=CCCCC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001753877549 1440519860 /nfs/dbraw/zinc/51/98/60/1440519860.db2.gz VYYQTQVKMNXQNI-UXHICEINSA-N 2 1 349.563 3.388 20 0 EGADMP CN(CC[N@@H+](C)CCC1=CCCCC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001753877548 1440519935 /nfs/dbraw/zinc/51/99/35/1440519935.db2.gz VYYQTQVKMNXQNI-PMACEKPBSA-N 2 1 349.563 3.388 20 0 EGADMP Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001754006770 1440530848 /nfs/dbraw/zinc/53/08/48/1440530848.db2.gz BGKVEKOWAAWSOA-ICSRJNTNSA-N 2 1 345.531 3.242 20 0 EGADMP CCN(CC[NH2+]CCC1CCCCC1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001754083862 1440539725 /nfs/dbraw/zinc/53/97/25/1440539725.db2.gz CPIBSTCQUGLWKF-HDICACEKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CCC(C)CC1 ZINC001754139858 1440544314 /nfs/dbraw/zinc/54/43/14/1440544314.db2.gz JHUOIXUDYRQOIK-DXGMNQLZSA-N 2 1 349.563 3.195 20 0 EGADMP O=C(NC/C=C/C[NH2+]CCC1CCCCC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001754180361 1440548136 /nfs/dbraw/zinc/54/81/36/1440548136.db2.gz AGZJTMMYKYCOKR-UHDDOPSISA-N 2 1 347.547 3.236 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc(C(C)C)cc2)CC[N@H+]1C ZINC001754266706 1440560679 /nfs/dbraw/zinc/56/06/79/1440560679.db2.gz DKFLXAIDHCAVOM-FFZOFVMBSA-N 2 1 345.531 3.135 20 0 EGADMP C[C@H](C[N@@H+](C)Cc1ccc(C2CCCC2)cc1)NC(=O)CC[NH+](C)C ZINC001754322358 1440578805 /nfs/dbraw/zinc/57/88/05/1440578805.db2.gz DMJCVFNXNKMGFS-QGZVFWFLSA-N 2 1 345.531 3.232 20 0 EGADMP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001754382279 1440593473 /nfs/dbraw/zinc/59/34/73/1440593473.db2.gz PQXCXUAGOLVOFQ-FQEVSTJZSA-N 2 1 345.531 3.054 20 0 EGADMP CC[C@@H](C(=O)N(C)C1C[NH+](Cc2cc(C)ccc2C)C1)[NH+](CC)CC ZINC001754581466 1440638719 /nfs/dbraw/zinc/63/87/19/1440638719.db2.gz HMCNZARRTIBYAJ-FQEVSTJZSA-N 2 1 345.531 3.066 20 0 EGADMP CC(C)[C@H](C(=O)N(C)C1C[NH+](CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001754587115 1440640064 /nfs/dbraw/zinc/64/00/64/1440640064.db2.gz CNEUHYMREMDYIB-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2C)C[C@H]1C ZINC001754600923 1440642400 /nfs/dbraw/zinc/64/24/00/1440642400.db2.gz JGDAQQAFBYIGDV-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCCCC[N@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001754684367 1440664204 /nfs/dbraw/zinc/66/42/04/1440664204.db2.gz YQWSXDRMUOMINM-FQEVSTJZSA-N 2 1 331.504 3.133 20 0 EGADMP CCCCC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001754732421 1440680286 /nfs/dbraw/zinc/68/02/86/1440680286.db2.gz UJBZCFHLKHNQDS-FQEVSTJZSA-N 2 1 337.552 3.127 20 0 EGADMP CCc1ccccc1[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC=C(C)C ZINC001754786052 1440687805 /nfs/dbraw/zinc/68/78/05/1440687805.db2.gz UDEUICXMHURATL-PMACEKPBSA-N 2 1 343.515 3.056 20 0 EGADMP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)C2 ZINC001754833375 1440696159 /nfs/dbraw/zinc/69/61/59/1440696159.db2.gz VYVQLMXAMHGSMA-REPLKXPHSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C2 ZINC001754833375 1440696160 /nfs/dbraw/zinc/69/61/60/1440696160.db2.gz VYVQLMXAMHGSMA-REPLKXPHSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2 ZINC001754833375 1440696161 /nfs/dbraw/zinc/69/61/61/1440696161.db2.gz VYVQLMXAMHGSMA-REPLKXPHSA-N 2 1 337.552 3.122 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC3CCCCCC3)C[C@@H]2C1 ZINC001754846356 1440699304 /nfs/dbraw/zinc/69/93/04/1440699304.db2.gz DQNCZPMFYXHEAR-BGYRXZFFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@@H]2C1 ZINC001754846356 1440699305 /nfs/dbraw/zinc/69/93/05/1440699305.db2.gz DQNCZPMFYXHEAR-BGYRXZFFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC3CCCCCC3)C[C@@H]2C1 ZINC001754846356 1440699306 /nfs/dbraw/zinc/69/93/06/1440699306.db2.gz DQNCZPMFYXHEAR-BGYRXZFFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCC3CCCCC3)C[C@@H]2C1 ZINC001754846426 1440699377 /nfs/dbraw/zinc/69/93/77/1440699377.db2.gz GOIRZXMHQUYGFM-BGYRXZFFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@@H]2C1 ZINC001754846426 1440699378 /nfs/dbraw/zinc/69/93/78/1440699378.db2.gz GOIRZXMHQUYGFM-BGYRXZFFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CCC3CCCCC3)C[C@@H]2C1 ZINC001754846426 1440699379 /nfs/dbraw/zinc/69/93/79/1440699379.db2.gz GOIRZXMHQUYGFM-BGYRXZFFSA-N 2 1 349.563 3.079 20 0 EGADMP CC/C=C/CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001754952316 1440715206 /nfs/dbraw/zinc/71/52/06/1440715206.db2.gz YLWQRMDCRBJPKL-SHOKJUJBSA-N 2 1 349.563 3.480 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CC3)CC2)C1 ZINC001754955768 1440716409 /nfs/dbraw/zinc/71/64/09/1440716409.db2.gz QZLVVAKZOSJXLD-VAMGGRTRSA-N 2 1 349.563 3.173 20 0 EGADMP CCCCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCC1 ZINC001754982641 1440721708 /nfs/dbraw/zinc/72/17/08/1440721708.db2.gz LURNJLQUUMAHOZ-MSOLQXFVSA-N 2 1 335.536 3.212 20 0 EGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001755031089 1440731274 /nfs/dbraw/zinc/73/12/74/1440731274.db2.gz MQNVQYQWFLLCIT-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC001755031323 1440731552 /nfs/dbraw/zinc/73/15/52/1440731552.db2.gz OVSMQQXZTJKWBV-IBGZPJMESA-N 2 1 335.536 3.189 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001755031323 1440731553 /nfs/dbraw/zinc/73/15/53/1440731553.db2.gz OVSMQQXZTJKWBV-IBGZPJMESA-N 2 1 335.536 3.189 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001755031323 1440731554 /nfs/dbraw/zinc/73/15/54/1440731554.db2.gz OVSMQQXZTJKWBV-IBGZPJMESA-N 2 1 335.536 3.189 20 0 EGADMP Cc1cccc(C[N@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001755041859 1440737984 /nfs/dbraw/zinc/73/79/84/1440737984.db2.gz YYTDYLDBDOKNIT-UHFFFAOYSA-N 2 1 345.531 3.150 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001755042373 1440738212 /nfs/dbraw/zinc/73/82/12/1440738212.db2.gz ZOKOKXSSVXRPOR-MRXNPFEDSA-N 2 1 349.494 3.009 20 0 EGADMP CCC1([NH2+]CC2CC(C)C2)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001755069075 1440745959 /nfs/dbraw/zinc/74/59/59/1440745959.db2.gz LEMWLDBZDCLMLV-ACBHZAAOSA-N 2 1 349.563 3.266 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC(C)([NH2+]CCCC(C)C)CC1 ZINC001755132432 1440757432 /nfs/dbraw/zinc/75/74/32/1440757432.db2.gz BJDINFILECLUNX-UHFFFAOYSA-N 2 1 348.535 3.379 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1CC[NH+](CC2CC2)CC1(C)C)C1CCCCC1 ZINC001755142232 1440761041 /nfs/dbraw/zinc/76/10/41/1440761041.db2.gz UYEJKDUBHDFCAK-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1CC[N@H+](CC2CC2)CC1(C)C)C1CCCCC1 ZINC001755142232 1440761042 /nfs/dbraw/zinc/76/10/42/1440761042.db2.gz UYEJKDUBHDFCAK-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC1(C)C)C1CCCCC1 ZINC001755142232 1440761043 /nfs/dbraw/zinc/76/10/43/1440761043.db2.gz UYEJKDUBHDFCAK-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCCC2CCC2)CC1(C)C ZINC001755144272 1440762569 /nfs/dbraw/zinc/76/25/69/1440762569.db2.gz YZCKKMRTRXDMKR-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCCC2CCC2)CC1(C)C ZINC001755144272 1440762570 /nfs/dbraw/zinc/76/25/70/1440762570.db2.gz YZCKKMRTRXDMKR-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)CC1(C)C ZINC001755144272 1440762571 /nfs/dbraw/zinc/76/25/71/1440762571.db2.gz YZCKKMRTRXDMKR-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001755168080 1440767727 /nfs/dbraw/zinc/76/77/27/1440767727.db2.gz WWTBCYLPSKNJTE-AQIYZVDXSA-N 2 1 349.563 3.432 20 0 EGADMP CCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001755367538 1440835297 /nfs/dbraw/zinc/83/52/97/1440835297.db2.gz HXYZNBAPJAXGFO-RTBURBONSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001755367538 1440835298 /nfs/dbraw/zinc/83/52/98/1440835298.db2.gz HXYZNBAPJAXGFO-RTBURBONSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001755367538 1440835299 /nfs/dbraw/zinc/83/52/99/1440835299.db2.gz HXYZNBAPJAXGFO-RTBURBONSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001755367535 1440835421 /nfs/dbraw/zinc/83/54/21/1440835421.db2.gz HXYZNBAPJAXGFO-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001755367535 1440835422 /nfs/dbraw/zinc/83/54/22/1440835422.db2.gz HXYZNBAPJAXGFO-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001755367535 1440835423 /nfs/dbraw/zinc/83/54/23/1440835423.db2.gz HXYZNBAPJAXGFO-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP C[C@H](CCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001755507591 1440863106 /nfs/dbraw/zinc/86/31/06/1440863106.db2.gz SLXLRBAJFCXGGF-IEBWSBKVSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCC(C)(C)C)CC1 ZINC001755529626 1440866722 /nfs/dbraw/zinc/86/67/22/1440866722.db2.gz BMMQCJXMVVUMLE-SFHVURJKSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCC(C)(C)C)CC1 ZINC001755529626 1440866723 /nfs/dbraw/zinc/86/67/23/1440866723.db2.gz BMMQCJXMVVUMLE-SFHVURJKSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCC(C)(C)C)CC1 ZINC001755529626 1440866724 /nfs/dbraw/zinc/86/67/24/1440866724.db2.gz BMMQCJXMVVUMLE-SFHVURJKSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001755529750 1440866771 /nfs/dbraw/zinc/86/67/71/1440866771.db2.gz HFSBZNULTNRGAO-LJQANCHMSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001755529750 1440866772 /nfs/dbraw/zinc/86/67/72/1440866772.db2.gz HFSBZNULTNRGAO-LJQANCHMSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001755529750 1440866773 /nfs/dbraw/zinc/86/67/73/1440866773.db2.gz HFSBZNULTNRGAO-LJQANCHMSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)[NH2+]C/C=C/Cl ZINC001755551276 1440872063 /nfs/dbraw/zinc/87/20/63/1440872063.db2.gz UTFWMRHYKXTILD-CFMJQPPZSA-N 2 1 343.943 3.122 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CCCC(C)(C)C)C[C@H]1C ZINC001755686538 1440896089 /nfs/dbraw/zinc/89/60/89/1440896089.db2.gz MQJPULJCCBMGMM-SJORKVTESA-N 2 1 348.535 3.412 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C[C@H]1C ZINC001755690414 1440896646 /nfs/dbraw/zinc/89/66/46/1440896646.db2.gz OBMSEPRKRGXUDQ-RTBURBONSA-N 2 1 345.531 3.033 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001755722252 1440907938 /nfs/dbraw/zinc/90/79/38/1440907938.db2.gz HBNXOSPBRVKWFL-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCCC3CCCC3)C(C)(C)C2)CC[N@H+]1C ZINC001755758583 1440914521 /nfs/dbraw/zinc/91/45/21/1440914521.db2.gz AUEUDPJBGMBASU-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001755764089 1440915728 /nfs/dbraw/zinc/91/57/28/1440915728.db2.gz YZGPFRGGUUJOLB-QAPCUYQASA-N 2 1 349.494 3.055 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]CC2CCCCC2)C(C)(C)C)C1 ZINC001755836065 1440930256 /nfs/dbraw/zinc/93/02/56/1440930256.db2.gz MFOGHCQVWZXYRX-MSOLQXFVSA-N 2 1 337.552 3.029 20 0 EGADMP Cc1cc2[nH]ccc2c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)[nH+]1 ZINC001164725884 720393565 /nfs/dbraw/zinc/39/35/65/720393565.db2.gz OBJSNXUNYOXVRL-RBUKOAKNSA-N 2 1 333.439 3.120 20 0 EGADMP c1cc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc(N2CCCCC2)[nH+]1 ZINC001165047408 721974956 /nfs/dbraw/zinc/97/49/56/721974956.db2.gz GIHNWWMKWFKKDH-SFHVURJKSA-N 2 1 343.519 3.312 20 0 EGADMP OCc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)o1 ZINC000174324323 231178240 /nfs/dbraw/zinc/17/82/40/231178240.db2.gz FXWHEGIIYOWRHL-UHFFFAOYSA-N 2 1 328.456 3.438 20 0 EGADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178700948 529595438 /nfs/dbraw/zinc/59/54/38/529595438.db2.gz KJDLBVDOKONFSE-JKSUJKDBSA-N 2 1 342.487 3.397 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H]1CCC2(CCCCC2)O1 ZINC000342629614 282215393 /nfs/dbraw/zinc/21/53/93/282215393.db2.gz HWGPFMDMFQCQCT-MKXGPGLRSA-N 2 1 336.520 3.052 20 0 EGADMP C[N@@H+](CCc1nc(-c2ccccc2)no1)CC[C@H]1CCCC[NH+]1C ZINC000173961664 529938567 /nfs/dbraw/zinc/93/85/67/529938567.db2.gz ALSGUZZYNQHHLA-QGZVFWFLSA-N 2 1 328.460 3.085 20 0 EGADMP C[N@H+](CCc1nc(-c2ccccc2)no1)CC[C@H]1CCCC[NH+]1C ZINC000173961664 529938568 /nfs/dbraw/zinc/93/85/68/529938568.db2.gz ALSGUZZYNQHHLA-QGZVFWFLSA-N 2 1 328.460 3.085 20 0 EGADMP C[NH+](CCc1nc(-c2ccccc2)no1)CC[C@H]1CCCC[N@@H+]1C ZINC000173961664 529938569 /nfs/dbraw/zinc/93/85/69/529938569.db2.gz ALSGUZZYNQHHLA-QGZVFWFLSA-N 2 1 328.460 3.085 20 0 EGADMP C[NH+](CCc1nc(-c2ccccc2)no1)CC[C@H]1CCCC[N@H+]1C ZINC000173961664 529938570 /nfs/dbraw/zinc/93/85/70/529938570.db2.gz ALSGUZZYNQHHLA-QGZVFWFLSA-N 2 1 328.460 3.085 20 0 EGADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)n(-c2ccccc2)n1 ZINC000181531105 234219708 /nfs/dbraw/zinc/21/97/08/234219708.db2.gz BRMIUKCQXUZTBC-CGTJXYLNSA-N 2 1 326.488 3.184 20 0 EGADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)n(-c2ccccc2)n1 ZINC000181531105 234219714 /nfs/dbraw/zinc/21/97/14/234219714.db2.gz BRMIUKCQXUZTBC-CGTJXYLNSA-N 2 1 326.488 3.184 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CC2(C[NH3+])CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000184242012 235344699 /nfs/dbraw/zinc/34/46/99/235344699.db2.gz FEJVLALRGLGQCE-IEBWSBKVSA-N 2 1 343.515 3.065 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000353585945 283133686 /nfs/dbraw/zinc/13/36/86/283133686.db2.gz ATNVXTGALNMVRA-COPLXBQBSA-N 2 1 328.500 3.005 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187125869 236125611 /nfs/dbraw/zinc/12/56/11/236125611.db2.gz AOWNSMHPPNTMJI-QGZVFWFLSA-N 2 1 343.515 3.197 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000343566592 283336886 /nfs/dbraw/zinc/33/68/86/283336886.db2.gz IKIZGHBMIILHRI-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1Br ZINC000035043943 213005189 /nfs/dbraw/zinc/00/51/89/213005189.db2.gz ZBPFWGYYBFUMSF-NSHDSACASA-N 2 1 327.266 3.203 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000129315597 223043326 /nfs/dbraw/zinc/04/33/26/223043326.db2.gz JXCTWWTVZWXLRE-UMVBOHGHSA-N 2 1 330.394 3.446 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000129315597 223043328 /nfs/dbraw/zinc/04/33/28/223043328.db2.gz JXCTWWTVZWXLRE-UMVBOHGHSA-N 2 1 330.394 3.446 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000130348080 223145883 /nfs/dbraw/zinc/14/58/83/223145883.db2.gz WRTRHYICNFUAPS-UHFFFAOYSA-N 2 1 334.851 3.114 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000130348080 223145885 /nfs/dbraw/zinc/14/58/85/223145885.db2.gz WRTRHYICNFUAPS-UHFFFAOYSA-N 2 1 334.851 3.114 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000130929996 223189064 /nfs/dbraw/zinc/18/90/64/223189064.db2.gz YRZLFJSYPGGKLY-UHFFFAOYSA-N 2 1 348.878 3.422 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000130929996 223189065 /nfs/dbraw/zinc/18/90/65/223189065.db2.gz YRZLFJSYPGGKLY-UHFFFAOYSA-N 2 1 348.878 3.422 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000072858547 216318183 /nfs/dbraw/zinc/31/81/83/216318183.db2.gz YWLNPVHBDWYTGS-AWEZNQCLSA-N 2 1 348.878 3.206 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000072858547 216318185 /nfs/dbraw/zinc/31/81/85/216318185.db2.gz YWLNPVHBDWYTGS-AWEZNQCLSA-N 2 1 348.878 3.206 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000072858547 216318187 /nfs/dbraw/zinc/31/81/87/216318187.db2.gz YWLNPVHBDWYTGS-AWEZNQCLSA-N 2 1 348.878 3.206 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000072858547 216318189 /nfs/dbraw/zinc/31/81/89/216318189.db2.gz YWLNPVHBDWYTGS-AWEZNQCLSA-N 2 1 348.878 3.206 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@]2(C)CCC[NH2+]C2)c1 ZINC000236830438 242374160 /nfs/dbraw/zinc/37/41/60/242374160.db2.gz AJPBKDIULVLWQC-HXUWFJFHSA-N 2 1 340.471 3.383 20 0 EGADMP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000262608981 245062978 /nfs/dbraw/zinc/06/29/78/245062978.db2.gz BKPBGFBVMOOKPK-BJLQDIEVSA-N 2 1 343.515 3.108 20 0 EGADMP CC[NH+](CC)CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000264928029 247053830 /nfs/dbraw/zinc/05/38/30/247053830.db2.gz ROHGIXSEGIIAKX-FQEVSTJZSA-N 2 1 345.531 3.137 20 0 EGADMP C[C@@H](c1ccccn1)[NH+](C)CCOCC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000091702878 296240754 /nfs/dbraw/zinc/24/07/54/296240754.db2.gz TTZLDAFHGWADDU-ROUUACIJSA-N 2 1 342.487 3.179 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000266415129 248289490 /nfs/dbraw/zinc/28/94/90/248289490.db2.gz OMIBBPLMLQNEKF-LJQANCHMSA-N 2 1 345.531 3.332 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC)C2)cc1 ZINC000266415129 248289491 /nfs/dbraw/zinc/28/94/91/248289491.db2.gz OMIBBPLMLQNEKF-LJQANCHMSA-N 2 1 345.531 3.332 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)cc1 ZINC000266415129 248289492 /nfs/dbraw/zinc/28/94/92/248289492.db2.gz OMIBBPLMLQNEKF-LJQANCHMSA-N 2 1 345.531 3.332 20 0 EGADMP COCCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000092066940 218114458 /nfs/dbraw/zinc/11/44/58/218114458.db2.gz RXBRFVGTLHSCES-NQIIRXRSSA-N 2 1 344.499 3.161 20 0 EGADMP COCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000092066940 218114459 /nfs/dbraw/zinc/11/44/59/218114459.db2.gz RXBRFVGTLHSCES-NQIIRXRSSA-N 2 1 344.499 3.161 20 0 EGADMP COCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000092066940 218114460 /nfs/dbraw/zinc/11/44/60/218114460.db2.gz RXBRFVGTLHSCES-NQIIRXRSSA-N 2 1 344.499 3.161 20 0 EGADMP Cc1noc(CCC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000268699487 252151188 /nfs/dbraw/zinc/15/11/88/252151188.db2.gz UVBRJSDITYGQQO-APWZRJJASA-N 2 1 342.487 3.296 20 0 EGADMP Cc1noc(CCC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000268699487 252151192 /nfs/dbraw/zinc/15/11/92/252151192.db2.gz UVBRJSDITYGQQO-APWZRJJASA-N 2 1 342.487 3.296 20 0 EGADMP Cc1noc(CCC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000268699487 252151193 /nfs/dbraw/zinc/15/11/93/252151193.db2.gz UVBRJSDITYGQQO-APWZRJJASA-N 2 1 342.487 3.296 20 0 EGADMP Cc1noc(CCC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000268699487 252151197 /nfs/dbraw/zinc/15/11/97/252151197.db2.gz UVBRJSDITYGQQO-APWZRJJASA-N 2 1 342.487 3.296 20 0 EGADMP Cc1noc(CCC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000268699489 252151250 /nfs/dbraw/zinc/15/12/50/252151250.db2.gz UVBRJSDITYGQQO-LPHOPBHVSA-N 2 1 342.487 3.296 20 0 EGADMP Cc1noc(CCC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000268699489 252151254 /nfs/dbraw/zinc/15/12/54/252151254.db2.gz UVBRJSDITYGQQO-LPHOPBHVSA-N 2 1 342.487 3.296 20 0 EGADMP Cc1noc(CCC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000268699489 252151256 /nfs/dbraw/zinc/15/12/56/252151256.db2.gz UVBRJSDITYGQQO-LPHOPBHVSA-N 2 1 342.487 3.296 20 0 EGADMP Cc1noc(CCC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000268699489 252151259 /nfs/dbraw/zinc/15/12/59/252151259.db2.gz UVBRJSDITYGQQO-LPHOPBHVSA-N 2 1 342.487 3.296 20 0 EGADMP Fc1ccc(CC[NH+]2CCC(N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000268764267 252213227 /nfs/dbraw/zinc/21/32/27/252213227.db2.gz IRTLXFISOZAAKM-LEWJYISDSA-N 2 1 345.506 3.049 20 0 EGADMP COc1cccc2c1CC[C@@H]2[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000268821207 252271000 /nfs/dbraw/zinc/27/10/00/252271000.db2.gz LWOHIWUCFICXBR-FCEWJHQRSA-N 2 1 332.488 3.162 20 0 EGADMP C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268839263 252287598 /nfs/dbraw/zinc/28/75/98/252287598.db2.gz ZDHDMCAHWOWVNW-CQSZACIVSA-N 2 1 344.484 3.187 20 0 EGADMP COC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000132340582 533043551 /nfs/dbraw/zinc/04/35/51/533043551.db2.gz XEISOXKUZMCSNU-QFIPXVFZSA-N 2 1 338.495 3.498 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1)C(C)C ZINC000236992868 285097737 /nfs/dbraw/zinc/09/77/37/285097737.db2.gz NOKXWITYCPKFGU-VQIMIIECSA-N 2 1 331.504 3.116 20 0 EGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000337528196 285145746 /nfs/dbraw/zinc/14/57/46/285145746.db2.gz SROJDANNOSTURX-HKUYNNGSSA-N 2 1 338.536 3.205 20 0 EGADMP C[C@H](C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000116993725 221020280 /nfs/dbraw/zinc/02/02/80/221020280.db2.gz WNIRGFGGNGLDOO-AQNXPRMDSA-N 2 1 329.532 3.281 20 0 EGADMP C[C@H](CC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000237634775 141011758 /nfs/dbraw/zinc/01/17/58/141011758.db2.gz UHSWOKBPYSUVAI-QZTJIDSGSA-N 2 1 345.531 3.039 20 0 EGADMP C[C@@H](NCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000246852760 141038801 /nfs/dbraw/zinc/03/88/01/141038801.db2.gz CQHMGHSUSRHLID-QZTJIDSGSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@@H](NCC[N@H+]1CCC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000246852760 141038803 /nfs/dbraw/zinc/03/88/03/141038803.db2.gz CQHMGHSUSRHLID-QZTJIDSGSA-N 2 1 333.520 3.010 20 0 EGADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000246944741 141045169 /nfs/dbraw/zinc/04/51/69/141045169.db2.gz HWYSBOXSHRURGO-QZTJIDSGSA-N 2 1 334.504 3.483 20 0 EGADMP CCOC[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@@H](COCC)C2)C1 ZINC000246999026 141048058 /nfs/dbraw/zinc/04/80/58/141048058.db2.gz OWHUOWDCJWXLDS-BGEOSOQGSA-N 2 1 338.536 3.040 20 0 EGADMP Cc1cc([C@@H]([NH2+]CC2=CC[N@H+](C)CC2)c2cccnc2)ccc1F ZINC000346619089 141205472 /nfs/dbraw/zinc/20/54/72/141205472.db2.gz GOAYJHFNHDHKBY-HXUWFJFHSA-N 2 1 325.431 3.470 20 0 EGADMP Cc1cc([C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2cccnc2)ccc1F ZINC000346619089 141205475 /nfs/dbraw/zinc/20/54/75/141205475.db2.gz GOAYJHFNHDHKBY-HXUWFJFHSA-N 2 1 325.431 3.470 20 0 EGADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347919946 141216990 /nfs/dbraw/zinc/21/69/90/141216990.db2.gz AXZCTIMQDBTXFQ-CABCVRRESA-N 2 1 333.451 3.007 20 0 EGADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347919946 141216992 /nfs/dbraw/zinc/21/69/92/141216992.db2.gz AXZCTIMQDBTXFQ-CABCVRRESA-N 2 1 333.451 3.007 20 0 EGADMP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000353472350 141304363 /nfs/dbraw/zinc/30/43/63/141304363.db2.gz TULZDDJSNZHVQW-AHRSYUTCSA-N 2 1 343.515 3.491 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1)C1CC1 ZINC000356263293 141331168 /nfs/dbraw/zinc/33/11/68/141331168.db2.gz ACNZFMKVMFGCAW-JXFKEZNVSA-N 2 1 343.515 3.226 20 0 EGADMP CC[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)[NH+](CC)CC ZINC000357966026 141369672 /nfs/dbraw/zinc/36/96/72/141369672.db2.gz UYDYHUMDKRIYHL-MRXNPFEDSA-N 2 1 325.884 3.461 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCC1([NH+](C)C)CCCCC1 ZINC000359592615 141381132 /nfs/dbraw/zinc/38/11/32/141381132.db2.gz NZZLYGDFALFPOE-UYAOXDASSA-N 2 1 344.547 3.146 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)CC[N@@H+]1C ZINC000186848003 144144945 /nfs/dbraw/zinc/14/49/45/144144945.db2.gz OAEIKHZEGRWVLT-QLFBSQMISA-N 2 1 341.421 3.356 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)CC[N@H+]1C ZINC000186848003 144144947 /nfs/dbraw/zinc/14/49/47/144144947.db2.gz OAEIKHZEGRWVLT-QLFBSQMISA-N 2 1 341.421 3.356 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C[C@@H]12 ZINC000351478911 144267114 /nfs/dbraw/zinc/26/71/14/144267114.db2.gz PWAPMIBTAAJSAE-DFQSSKMNSA-N 2 1 335.451 3.108 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351480521 144267177 /nfs/dbraw/zinc/26/71/77/144267177.db2.gz VNYRNOARLZLTAT-CWLKWCNXSA-N 2 1 329.488 3.115 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351480521 144267178 /nfs/dbraw/zinc/26/71/78/144267178.db2.gz VNYRNOARLZLTAT-CWLKWCNXSA-N 2 1 329.488 3.115 20 0 EGADMP CCOc1cc(C[NH2+]CCC[NH+]2CCCCC2)cc(Cl)c1O ZINC000351505495 144270678 /nfs/dbraw/zinc/27/06/78/144270678.db2.gz NVSGWMRPJZNNBX-UHFFFAOYSA-N 2 1 326.868 3.410 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000351866405 144317863 /nfs/dbraw/zinc/31/78/63/144317863.db2.gz STCBFDBKOWMORQ-ZYSHUDEJSA-N 2 1 348.450 3.495 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000351866405 144317865 /nfs/dbraw/zinc/31/78/65/144317865.db2.gz STCBFDBKOWMORQ-ZYSHUDEJSA-N 2 1 348.450 3.495 20 0 EGADMP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO[C@@H]1C1CC1 ZINC000375118993 144571997 /nfs/dbraw/zinc/57/19/97/144571997.db2.gz BEVSLBKBAMZMFP-RTWAWAEBSA-N 2 1 328.500 3.446 20 0 EGADMP CC(C)CCn1cccc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000119328198 152195196 /nfs/dbraw/zinc/19/51/96/152195196.db2.gz WLEGEENZJXANTH-SFHVURJKSA-N 2 1 333.520 3.125 20 0 EGADMP CCc1noc(C)c1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000119666639 152221339 /nfs/dbraw/zinc/22/13/39/152221339.db2.gz ZBEOXTRCCVAXBY-IYBDPMFKSA-N 2 1 349.519 3.257 20 0 EGADMP C[C@@H]1CCC[N@H+](CCCCNc2cc[nH+]cc2Br)C1 ZINC000341541794 155344753 /nfs/dbraw/zinc/34/47/53/155344753.db2.gz DCZRKDZHKCVFBQ-CYBMUJFWSA-N 2 1 326.282 3.190 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCCNc2cc[nH+]cc2Br)C1 ZINC000341541794 155344757 /nfs/dbraw/zinc/34/47/57/155344757.db2.gz DCZRKDZHKCVFBQ-CYBMUJFWSA-N 2 1 326.282 3.190 20 0 EGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000121755964 152369272 /nfs/dbraw/zinc/36/92/72/152369272.db2.gz OIXKILGRVJJAJR-UHFFFAOYSA-N 2 1 341.455 3.036 20 0 EGADMP CCN(C)c1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)cn1 ZINC000190955736 153168257 /nfs/dbraw/zinc/16/82/57/153168257.db2.gz UCPQZAPWVNRPEQ-UHFFFAOYSA-N 2 1 326.488 3.279 20 0 EGADMP CC(C)(C)n1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nn1 ZINC000191419211 153194151 /nfs/dbraw/zinc/19/41/51/153194151.db2.gz CCFZTHHFICZSDS-UHFFFAOYSA-N 2 1 333.524 3.121 20 0 EGADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191518494 153203641 /nfs/dbraw/zinc/20/36/41/153203641.db2.gz GHFFHFIPLASAME-QZTJIDSGSA-N 2 1 327.582 3.009 20 0 EGADMP CCS[C@H]1CC[C@H]([N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191518481 153204769 /nfs/dbraw/zinc/20/47/69/153204769.db2.gz GHFFHFIPLASAME-ROUUACIJSA-N 2 1 327.582 3.009 20 0 EGADMP CC(=O)Nc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192917684 153266976 /nfs/dbraw/zinc/26/69/76/153266976.db2.gz KMVKEKNGUYOKBX-HXUWFJFHSA-N 2 1 337.467 3.257 20 0 EGADMP CCOC(=O)C1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192926654 153269076 /nfs/dbraw/zinc/26/90/76/153269076.db2.gz IROYPWHTHNRJKN-XEVCZEQESA-N 2 1 344.499 3.220 20 0 EGADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000194875648 153362730 /nfs/dbraw/zinc/36/27/30/153362730.db2.gz VYABDMWGRWWXCF-LJQANCHMSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195135807 153381892 /nfs/dbraw/zinc/38/18/92/153381892.db2.gz KQAPCBTWXPHOKB-AEFFLSMTSA-N 2 1 332.488 3.218 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000195133662 153383351 /nfs/dbraw/zinc/38/33/51/153383351.db2.gz SKFMVNCUALOYIL-UAFMIMERSA-N 2 1 326.484 3.056 20 0 EGADMP c1nc([C@@H]2CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)n2c1CCCC2 ZINC000337409471 154338439 /nfs/dbraw/zinc/33/84/39/154338439.db2.gz WDEXGUOQQJKAGK-OAHLLOKOSA-N 2 1 335.455 3.475 20 0 EGADMP c1nc([C@@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)n2c1CCCC2 ZINC000337409471 154338444 /nfs/dbraw/zinc/33/84/44/154338444.db2.gz WDEXGUOQQJKAGK-OAHLLOKOSA-N 2 1 335.455 3.475 20 0 EGADMP CC[N@H+](C)Cc1cccc(CNc2cc[nH+]cc2Br)c1 ZINC000339969885 155055859 /nfs/dbraw/zinc/05/58/59/155055859.db2.gz YRFFLPNFIYKIHM-UHFFFAOYSA-N 2 1 334.261 3.330 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNc2cc[nH+]cc2Br)c1 ZINC000339969885 155055863 /nfs/dbraw/zinc/05/58/63/155055863.db2.gz YRFFLPNFIYKIHM-UHFFFAOYSA-N 2 1 334.261 3.330 20 0 EGADMP C[C@@H]1CN(c2ccccc2C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CCO1 ZINC000339986516 155061577 /nfs/dbraw/zinc/06/15/77/155061577.db2.gz AFRGSSFVMZYSFV-QGZVFWFLSA-N 2 1 345.531 3.264 20 0 EGADMP C[C@@H]1CC[C@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000345313667 156051829 /nfs/dbraw/zinc/05/18/29/156051829.db2.gz RGYMUOJNQMDGQS-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCC[N@H+]1C ZINC000346803577 156139848 /nfs/dbraw/zinc/13/98/48/156139848.db2.gz FZWOGWWEHQCTNE-ZMWHVPEISA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC[NH+]1C ZINC000346803577 156139851 /nfs/dbraw/zinc/13/98/51/156139851.db2.gz FZWOGWWEHQCTNE-ZMWHVPEISA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC[NH+]1C ZINC000346803577 156139855 /nfs/dbraw/zinc/13/98/55/156139855.db2.gz FZWOGWWEHQCTNE-ZMWHVPEISA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCN1C ZINC000346803577 156139858 /nfs/dbraw/zinc/13/98/58/156139858.db2.gz FZWOGWWEHQCTNE-ZMWHVPEISA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCN1C ZINC000346803577 156139860 /nfs/dbraw/zinc/13/98/60/156139860.db2.gz FZWOGWWEHQCTNE-ZMWHVPEISA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H]3Cc4ccccc43)CC2)C[C@H](C)O1 ZINC000346851041 156164924 /nfs/dbraw/zinc/16/49/24/156164924.db2.gz QGDDGLSPAIODDP-QKLQHJQFSA-N 2 1 328.500 3.148 20 0 EGADMP CCC[N@@H+](Cc1ccc(Oc2cnccn2)cc1)C1CC[NH2+]CC1 ZINC000346998412 156236681 /nfs/dbraw/zinc/23/66/81/156236681.db2.gz CVPZOSSPYTZLRW-UHFFFAOYSA-N 2 1 326.444 3.233 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000349143504 156365409 /nfs/dbraw/zinc/36/54/09/156365409.db2.gz BNRQSFQHOJUPFA-UHFFFAOYSA-N 2 1 341.503 3.353 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000349143504 156365411 /nfs/dbraw/zinc/36/54/11/156365411.db2.gz BNRQSFQHOJUPFA-UHFFFAOYSA-N 2 1 341.503 3.353 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000349151391 156370058 /nfs/dbraw/zinc/37/00/58/156370058.db2.gz OGQWYCFDQNJFSA-HSZRJFAPSA-N 2 1 333.501 3.095 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000349151391 156370060 /nfs/dbraw/zinc/37/00/60/156370060.db2.gz OGQWYCFDQNJFSA-HSZRJFAPSA-N 2 1 333.501 3.095 20 0 EGADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@@H](c3nccn3C)C2)c1 ZINC000365627945 157196966 /nfs/dbraw/zinc/19/69/66/157196966.db2.gz KWENEGJUNREOLT-CQSZACIVSA-N 2 1 347.846 3.240 20 0 EGADMP COC(=O)c1ccc(Cl)c(CN2CCC[C@@H](c3nccn3C)C2)c1 ZINC000365627945 157196969 /nfs/dbraw/zinc/19/69/69/157196969.db2.gz KWENEGJUNREOLT-CQSZACIVSA-N 2 1 347.846 3.240 20 0 EGADMP Cc1noc(C2CCC([NH2+]CCC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)n1 ZINC000368644597 157250115 /nfs/dbraw/zinc/25/01/15/157250115.db2.gz DHCLPKMOQKFSEG-BXXOZEPKSA-N 2 1 334.508 3.362 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000368684671 157263480 /nfs/dbraw/zinc/26/34/80/157263480.db2.gz WMFMEMGOJLQWKI-SFHVURJKSA-N 2 1 341.846 3.478 20 0 EGADMP Cc1ncccc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000093844424 162030915 /nfs/dbraw/zinc/03/09/15/162030915.db2.gz AMNWZZHHFYCISU-CALCHBBNSA-N 2 1 331.504 3.101 20 0 EGADMP Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000114455550 162233677 /nfs/dbraw/zinc/23/36/77/162233677.db2.gz MQTMDYCQCXQEKA-HXUWFJFHSA-N 2 1 343.515 3.121 20 0 EGADMP COc1cccc(NC2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000125168720 162265815 /nfs/dbraw/zinc/26/58/15/162265815.db2.gz GQLKNEMEBHVXGS-UHFFFAOYSA-N 2 1 331.504 3.448 20 0 EGADMP CC[NH+]1CCC(N(C)Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000125219087 162267682 /nfs/dbraw/zinc/26/76/82/162267682.db2.gz IABTWIGBPQLNTC-UHFFFAOYSA-N 2 1 334.414 3.271 20 0 EGADMP CN(CCC[N@@H+](C)Cc1cnc(-c2ccccc2)s1)CC[NH+](C)C ZINC000344027420 164085105 /nfs/dbraw/zinc/08/51/05/164085105.db2.gz LKEXOYBZINGPJU-UHFFFAOYSA-N 2 1 346.544 3.125 20 0 EGADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cccc(C(F)F)c1 ZINC000344176236 164120623 /nfs/dbraw/zinc/12/06/23/164120623.db2.gz ROSHLXJBOJRRLN-UHFFFAOYSA-N 2 1 339.474 3.474 20 0 EGADMP COCc1cccc(OCC2(C[NH+]3CCC([NH2+]C(C)C)CC3)CC2)c1 ZINC000354817050 166039330 /nfs/dbraw/zinc/03/93/30/166039330.db2.gz VWCJNGCBXFUJLN-UHFFFAOYSA-N 2 1 346.515 3.454 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000350180523 165016181 /nfs/dbraw/zinc/01/61/81/165016181.db2.gz GBGHEPWCWPQJOU-GOEBONIOSA-N 2 1 326.431 3.459 20 0 EGADMP CCc1cnc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000350267942 165023544 /nfs/dbraw/zinc/02/35/44/165023544.db2.gz PGINCMFMPRYMCP-UHFFFAOYSA-N 2 1 330.501 3.449 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000351620693 165104962 /nfs/dbraw/zinc/10/49/62/165104962.db2.gz QRIYLRCZGVIXGJ-MJGOQNOKSA-N 2 1 329.488 3.212 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000351620693 165104966 /nfs/dbraw/zinc/10/49/66/165104966.db2.gz QRIYLRCZGVIXGJ-MJGOQNOKSA-N 2 1 329.488 3.212 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000351620693 165104971 /nfs/dbraw/zinc/10/49/71/165104971.db2.gz QRIYLRCZGVIXGJ-MJGOQNOKSA-N 2 1 329.488 3.212 20 0 EGADMP CC[C@@H](C(=O)N(CC)CCC[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000355996973 166370112 /nfs/dbraw/zinc/37/01/12/166370112.db2.gz ZPCVPPKHWXIYDD-FQEVSTJZSA-N 2 1 345.531 3.231 20 0 EGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccco1 ZINC000359567341 167196291 /nfs/dbraw/zinc/19/62/91/167196291.db2.gz WZZDMWGTYVZIHT-JQHSSLGASA-N 2 1 347.503 3.232 20 0 EGADMP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccsc2Cl)ccn1 ZINC000359686112 167209049 /nfs/dbraw/zinc/20/90/49/167209049.db2.gz NCMYKGCDQYVODV-UHFFFAOYSA-N 2 1 325.865 3.027 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000365222367 168036601 /nfs/dbraw/zinc/03/66/01/168036601.db2.gz DTXATQLZNFSUHL-KRWDZBQOSA-N 2 1 339.524 3.194 20 0 EGADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000366921944 168157403 /nfs/dbraw/zinc/15/74/03/168157403.db2.gz LGSUDXWQPVITBW-AWEZNQCLSA-N 2 1 339.361 3.351 20 0 EGADMP CC(C)Oc1cccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000367658227 168255911 /nfs/dbraw/zinc/25/59/11/168255911.db2.gz JHVNAKKYTRDMGT-FQEVSTJZSA-N 2 1 345.531 3.074 20 0 EGADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000367816333 168273162 /nfs/dbraw/zinc/27/31/62/168273162.db2.gz SPHXPDSXENYDTG-SJLPKXTDSA-N 2 1 336.520 3.305 20 0 EGADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000367816333 168273163 /nfs/dbraw/zinc/27/31/63/168273163.db2.gz SPHXPDSXENYDTG-SJLPKXTDSA-N 2 1 336.520 3.305 20 0 EGADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000367816333 168273164 /nfs/dbraw/zinc/27/31/64/168273164.db2.gz SPHXPDSXENYDTG-SJLPKXTDSA-N 2 1 336.520 3.305 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)ncn2C ZINC000367952969 168287739 /nfs/dbraw/zinc/28/77/39/168287739.db2.gz XJQNTUBSNRJAEY-QAPCUYQASA-N 2 1 335.455 3.291 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000367952969 168287742 /nfs/dbraw/zinc/28/77/42/168287742.db2.gz XJQNTUBSNRJAEY-QAPCUYQASA-N 2 1 335.455 3.291 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1cccc(Cl)c1C ZINC000159225240 225175175 /nfs/dbraw/zinc/17/51/75/225175175.db2.gz YNOBOPSIEGALJB-UHFFFAOYSA-N 2 1 334.851 3.114 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1cccc(Cl)c1C ZINC000159225240 225175179 /nfs/dbraw/zinc/17/51/79/225175179.db2.gz YNOBOPSIEGALJB-UHFFFAOYSA-N 2 1 334.851 3.114 20 0 EGADMP COCC[NH+]1CCC(Nc2cc(C)[nH+]c3c(OC)cccc23)CC1 ZINC000122245007 222045371 /nfs/dbraw/zinc/04/53/71/222045371.db2.gz VNNDZRSNNNBGJQ-UHFFFAOYSA-N 2 1 329.444 3.075 20 0 EGADMP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000123123685 222220593 /nfs/dbraw/zinc/22/05/93/222220593.db2.gz QSXNYXVEULMPEI-WOJBJXKFSA-N 2 1 334.479 3.380 20 0 EGADMP C[NH+](C)CCCC1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000123257351 222243744 /nfs/dbraw/zinc/24/37/44/222243744.db2.gz DILMFJDHZNEENT-UHFFFAOYSA-N 2 1 334.489 3.352 20 0 EGADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)ccc1OC(F)F ZINC000124146607 222382561 /nfs/dbraw/zinc/38/25/61/222382561.db2.gz GIFWQSUVMYGHLI-AWEZNQCLSA-N 2 1 328.403 3.118 20 0 EGADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCCn1ccnc1C ZINC000179492021 265379107 /nfs/dbraw/zinc/37/91/07/265379107.db2.gz LHXXKVHNGDCKPW-HNNXBMFYSA-N 2 1 328.460 3.103 20 0 EGADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000179492021 265379110 /nfs/dbraw/zinc/37/91/10/265379110.db2.gz LHXXKVHNGDCKPW-HNNXBMFYSA-N 2 1 328.460 3.103 20 0 EGADMP CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224563173 266198189 /nfs/dbraw/zinc/19/81/89/266198189.db2.gz ORJWBAMMSZOZRA-ARFHVFGLSA-N 2 1 327.513 3.142 20 0 EGADMP CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224563173 266198192 /nfs/dbraw/zinc/19/81/92/266198192.db2.gz ORJWBAMMSZOZRA-ARFHVFGLSA-N 2 1 327.513 3.142 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(C[NH3+])CCCC1 ZINC000237342329 266231445 /nfs/dbraw/zinc/23/14/45/266231445.db2.gz QPIMDKCDNWCEHO-QGZVFWFLSA-N 2 1 343.515 3.196 20 0 EGADMP c1cc(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCC2 ZINC000269677871 266339440 /nfs/dbraw/zinc/33/94/40/266339440.db2.gz SMBQMVLPJSZBLV-AZUAARDMSA-N 2 1 326.484 3.113 20 0 EGADMP c1cc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc2c1OCC2 ZINC000269677871 266339442 /nfs/dbraw/zinc/33/94/42/266339442.db2.gz SMBQMVLPJSZBLV-AZUAARDMSA-N 2 1 326.484 3.113 20 0 EGADMP c1cc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc2c1OCC2 ZINC000269677871 266339445 /nfs/dbraw/zinc/33/94/45/266339445.db2.gz SMBQMVLPJSZBLV-AZUAARDMSA-N 2 1 326.484 3.113 20 0 EGADMP Cc1ncsc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274807606 267290234 /nfs/dbraw/zinc/29/02/34/267290234.db2.gz HBQZNILIBKTBPK-CRAIPNDOSA-N 2 1 329.513 3.494 20 0 EGADMP Cc1cc(C)n(CCC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000274967429 267312742 /nfs/dbraw/zinc/31/27/42/267312742.db2.gz XPUNOALJBCXEOT-FPOVZHCZSA-N 2 1 340.515 3.390 20 0 EGADMP Cc1cc(C)n(CCC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000274967423 267312814 /nfs/dbraw/zinc/31/28/14/267312814.db2.gz XPUNOALJBCXEOT-CTNGQTDRSA-N 2 1 340.515 3.390 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000278447375 268014716 /nfs/dbraw/zinc/01/47/16/268014716.db2.gz IBSYNIOOJIMUFF-ZWKOTPCHSA-N 2 1 342.487 3.024 20 0 EGADMP O[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246524638 275057634 /nfs/dbraw/zinc/05/76/34/275057634.db2.gz JBFZYZFZVJUQSA-KFKAGJAMSA-N 2 1 334.891 3.322 20 0 EGADMP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246524638 275057635 /nfs/dbraw/zinc/05/76/35/275057635.db2.gz JBFZYZFZVJUQSA-KFKAGJAMSA-N 2 1 334.891 3.322 20 0 EGADMP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246524638 275057636 /nfs/dbraw/zinc/05/76/36/275057636.db2.gz JBFZYZFZVJUQSA-KFKAGJAMSA-N 2 1 334.891 3.322 20 0 EGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000279743138 275355385 /nfs/dbraw/zinc/35/53/85/275355385.db2.gz PFMWXZZXVUDWDT-QRWLVFNGSA-N 2 1 336.439 3.442 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000280059170 275399130 /nfs/dbraw/zinc/39/91/30/275399130.db2.gz WUOULLUURKZLPK-UHFFFAOYSA-N 2 1 347.894 3.273 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2([S@@](C)=O)CCC2)cc1 ZINC000281108259 275522514 /nfs/dbraw/zinc/52/25/14/275522514.db2.gz RKNPZCGGDWUNQX-LFVRLGFBSA-N 2 1 331.485 3.133 20 0 EGADMP COc1ccccc1-n1nccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000281595811 275561662 /nfs/dbraw/zinc/56/16/62/275561662.db2.gz JQIWNGVJZLOMFW-UHFFFAOYSA-N 2 1 342.487 3.233 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000344626133 276113514 /nfs/dbraw/zinc/11/35/14/276113514.db2.gz BPKUKUOODWYEAW-HKUYNNGSSA-N 2 1 343.471 3.082 20 0 EGADMP C[N@@H+](CCC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000287631243 276142087 /nfs/dbraw/zinc/14/20/87/276142087.db2.gz KJFGSZVRIPDVSI-HOTGVXAUSA-N 2 1 330.394 3.208 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000287724972 276151019 /nfs/dbraw/zinc/15/10/19/276151019.db2.gz OTKQBUSXBFTALV-ZWKOTPCHSA-N 2 1 341.503 3.430 20 0 EGADMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccccc1F ZINC000288544466 276226140 /nfs/dbraw/zinc/22/61/40/276226140.db2.gz LBGUEEQAFPQTKK-HNNXBMFYSA-N 2 1 331.435 3.402 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)[C@H](C)C1 ZINC000095967428 276228481 /nfs/dbraw/zinc/22/84/81/276228481.db2.gz YARCBWICIVYVGR-APWZRJJASA-N 2 1 334.479 3.194 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(OC)cc32)[C@H](C)C1 ZINC000122260722 276316060 /nfs/dbraw/zinc/31/60/60/276316060.db2.gz BWMOKAVUDOWORQ-TYCQWZJGSA-N 2 1 346.515 3.409 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000289742739 276386700 /nfs/dbraw/zinc/38/67/00/276386700.db2.gz MEAXQSXQJMVRMN-NWDGAFQWSA-N 2 1 337.265 3.336 20 0 EGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCC23CCCC3)c1 ZINC000353270660 277213774 /nfs/dbraw/zinc/21/37/74/277213774.db2.gz BLTRBRXLRNROGH-FQEVSTJZSA-N 2 1 346.515 3.456 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000155678268 288105730 /nfs/dbraw/zinc/10/57/30/288105730.db2.gz PSRNMQJBFSSTKM-MBOZVWFJSA-N 2 1 329.532 3.142 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000155678268 288105732 /nfs/dbraw/zinc/10/57/32/288105732.db2.gz PSRNMQJBFSSTKM-MBOZVWFJSA-N 2 1 329.532 3.142 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000155678268 288105733 /nfs/dbraw/zinc/10/57/33/288105733.db2.gz PSRNMQJBFSSTKM-MBOZVWFJSA-N 2 1 329.532 3.142 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000155678268 288105735 /nfs/dbraw/zinc/10/57/35/288105735.db2.gz PSRNMQJBFSSTKM-MBOZVWFJSA-N 2 1 329.532 3.142 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000155678268 288105736 /nfs/dbraw/zinc/10/57/36/288105736.db2.gz PSRNMQJBFSSTKM-MBOZVWFJSA-N 2 1 329.532 3.142 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](Cc2ccccc2)C(C)C)CC1 ZINC000186999528 279356563 /nfs/dbraw/zinc/35/65/63/279356563.db2.gz FUMJPKWHFHENIX-OAQYLSRUSA-N 2 1 331.548 3.261 20 0 EGADMP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000354276498 288158764 /nfs/dbraw/zinc/15/87/64/288158764.db2.gz BXUOPISJMPFUJP-IAGOWNOFSA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)[C@H](O)C(F)(F)F ZINC000366690946 280931722 /nfs/dbraw/zinc/93/17/22/280931722.db2.gz BGNTUWGNIWRRHJ-BVUBDWEXSA-N 2 1 336.442 3.321 20 0 EGADMP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000356236553 289909394 /nfs/dbraw/zinc/90/93/94/289909394.db2.gz VGPWSTOVIYXIAW-DBVUQKKJSA-N 2 1 339.483 3.097 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)CC[N@H+]1C ZINC000151163016 297283561 /nfs/dbraw/zinc/28/35/61/297283561.db2.gz NXOQWGANGUODGV-QAPCUYQASA-N 2 1 336.907 3.461 20 0 EGADMP C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000357048227 298157636 /nfs/dbraw/zinc/15/76/36/298157636.db2.gz MPOLDEHHJLPWIP-RMJJICAUSA-N 2 1 343.515 3.201 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000066046205 307361183 /nfs/dbraw/zinc/36/11/83/307361183.db2.gz CFYLJCCJTRZKPG-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000066046205 307361185 /nfs/dbraw/zinc/36/11/85/307361185.db2.gz CFYLJCCJTRZKPG-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP C[N@H+](CCN1CC[NH+](C/C=C/c2ccccc2)CC1)Cc1ccccc1 ZINC000066666551 307362721 /nfs/dbraw/zinc/36/27/21/307362721.db2.gz YJEPWWQKQBEADY-MDWZMJQESA-N 2 1 349.522 3.449 20 0 EGADMP C[N@@H+](CCN1CC[NH+](C/C=C/c2ccccc2)CC1)Cc1ccccc1 ZINC000066666551 307362722 /nfs/dbraw/zinc/36/27/22/307362722.db2.gz YJEPWWQKQBEADY-MDWZMJQESA-N 2 1 349.522 3.449 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000066960894 307364001 /nfs/dbraw/zinc/36/40/01/307364001.db2.gz VBSMKORKCGUFPN-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000073553388 307386654 /nfs/dbraw/zinc/38/66/54/307386654.db2.gz PUAFMEBEHMFUJZ-QGZVFWFLSA-N 2 1 342.487 3.033 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000073553388 307386655 /nfs/dbraw/zinc/38/66/55/307386655.db2.gz PUAFMEBEHMFUJZ-QGZVFWFLSA-N 2 1 342.487 3.033 20 0 EGADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1(C)C ZINC000414067257 309058925 /nfs/dbraw/zinc/05/89/25/309058925.db2.gz AFGORJKYVGYRCX-DLBZAZTESA-N 2 1 338.536 3.203 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)nnn1-c1ccc(C)cc1 ZINC000414186922 309065665 /nfs/dbraw/zinc/06/56/65/309065665.db2.gz PUKQKJMFFOPAKE-AEFFLSMTSA-N 2 1 341.503 3.267 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000414191485 309065979 /nfs/dbraw/zinc/06/59/79/309065979.db2.gz SOCGJOKQQVKRBM-PKOBYXMFSA-N 2 1 326.488 3.314 20 0 EGADMP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)[C@@H](C)O1 ZINC000414283603 309070590 /nfs/dbraw/zinc/07/05/90/309070590.db2.gz PHRNMMMZIBPXHK-JFIYKMOQSA-N 2 1 334.479 3.236 20 0 EGADMP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000414337586 309073673 /nfs/dbraw/zinc/07/36/73/309073673.db2.gz DQNUQVZVWIGVBW-FHLIZLRMSA-N 2 1 329.463 3.465 20 0 EGADMP CCc1ncc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000414383130 309076649 /nfs/dbraw/zinc/07/66/49/309076649.db2.gz SRKPLZASVORMEX-IAGOWNOFSA-N 2 1 338.499 3.285 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000248756947 308011038 /nfs/dbraw/zinc/01/10/38/308011038.db2.gz HUDSTJCFGZTBPW-QZTJIDSGSA-N 2 1 348.535 3.337 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000248756947 308011039 /nfs/dbraw/zinc/01/10/39/308011039.db2.gz HUDSTJCFGZTBPW-QZTJIDSGSA-N 2 1 348.535 3.337 20 0 EGADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1F ZINC000248984914 308016253 /nfs/dbraw/zinc/01/62/53/308016253.db2.gz JREYLVSPLPEKGR-WDYCEAGBSA-N 2 1 334.479 3.429 20 0 EGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1F ZINC000248984914 308016255 /nfs/dbraw/zinc/01/62/55/308016255.db2.gz JREYLVSPLPEKGR-WDYCEAGBSA-N 2 1 334.479 3.429 20 0 EGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1F ZINC000248984914 308016256 /nfs/dbraw/zinc/01/62/56/308016256.db2.gz JREYLVSPLPEKGR-WDYCEAGBSA-N 2 1 334.479 3.429 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(O)c1 ZINC000249512322 308025190 /nfs/dbraw/zinc/02/51/90/308025190.db2.gz ILZYFTKMVNXSPS-JXFKEZNVSA-N 2 1 340.467 3.200 20 0 EGADMP CSc1cccc(NC(=O)[C@@H](C)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293087767 308098320 /nfs/dbraw/zinc/09/83/20/308098320.db2.gz WSZUXBBHGRUGHE-BEFAXECRSA-N 2 1 347.528 3.153 20 0 EGADMP Cc1nnsc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000293854453 308168018 /nfs/dbraw/zinc/16/80/18/308168018.db2.gz XLTLXLNAXLYDGT-FGTMMUONSA-N 2 1 342.512 3.237 20 0 EGADMP Cc1nnsc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000293854453 308168020 /nfs/dbraw/zinc/16/80/20/308168020.db2.gz XLTLXLNAXLYDGT-FGTMMUONSA-N 2 1 342.512 3.237 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc(C)s1 ZINC000414522631 309086356 /nfs/dbraw/zinc/08/63/56/309086356.db2.gz CZGSBFHETXAMPH-IEBWSBKVSA-N 2 1 345.512 3.078 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc(C)s1 ZINC000414522631 309086357 /nfs/dbraw/zinc/08/63/57/309086357.db2.gz CZGSBFHETXAMPH-IEBWSBKVSA-N 2 1 345.512 3.078 20 0 EGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000294448511 308221879 /nfs/dbraw/zinc/22/18/79/308221879.db2.gz YBXGORNMMLBOQP-NQIIRXRSSA-N 2 1 338.495 3.477 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N2CCCC2=O)cc1 ZINC000295130179 308294887 /nfs/dbraw/zinc/29/48/87/308294887.db2.gz YKCMQHWTHDMGFX-DJXYKJKZSA-N 2 1 327.472 3.089 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)cc1 ZINC000295243445 308306758 /nfs/dbraw/zinc/30/67/58/308306758.db2.gz DETJOLONLSKEDK-QGZVFWFLSA-N 2 1 343.515 3.085 20 0 EGADMP C[C@H]1C[C@@H](C[N@@H+](C)CCc2ccc(Br)cc2)CC[NH2+]1 ZINC000414696869 309095933 /nfs/dbraw/zinc/09/59/33/309095933.db2.gz QPNDBMZFTQJRIT-ZFWWWQNUSA-N 2 1 325.294 3.312 20 0 EGADMP FC(F)(F)Oc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414772080 309100035 /nfs/dbraw/zinc/10/00/35/309100035.db2.gz BGADOOIEZQWQOG-LSDHHAIUSA-N 2 1 328.378 3.407 20 0 EGADMP FC(F)(F)Oc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414778927 309100518 /nfs/dbraw/zinc/10/05/18/309100518.db2.gz JPNMKCJSXSDYBX-HUUCEWRRSA-N 2 1 328.378 3.407 20 0 EGADMP c1sc(-c2ccccn2)nc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784231 309101046 /nfs/dbraw/zinc/10/10/46/309101046.db2.gz QZADKGXRIBGSDG-LSDHHAIUSA-N 2 1 328.485 3.027 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414787682 309101182 /nfs/dbraw/zinc/10/11/82/309101182.db2.gz VTSMUDLMENTIAT-SJORKVTESA-N 2 1 342.462 3.141 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000414794058 309101810 /nfs/dbraw/zinc/10/18/10/309101810.db2.gz VHQZLONIEKUQBF-ZBFHGGJFSA-N 2 1 329.271 3.322 20 0 EGADMP CCCCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414794820 309101869 /nfs/dbraw/zinc/10/18/69/309101869.db2.gz WCKKTVXKTZBBSM-SFHVURJKSA-N 2 1 332.488 3.053 20 0 EGADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414795251 309101945 /nfs/dbraw/zinc/10/19/45/309101945.db2.gz MYACIJLTPDWPFS-CQSZACIVSA-N 2 1 326.366 3.168 20 0 EGADMP COc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1OCc1ccc(F)cc1 ZINC000414799227 309102254 /nfs/dbraw/zinc/10/22/54/309102254.db2.gz GEAWOBPPZKDRGZ-UHFFFAOYSA-N 2 1 332.419 3.240 20 0 EGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000414807521 309102663 /nfs/dbraw/zinc/10/26/63/309102663.db2.gz RDJYIGAAGPFJHB-WMLDXEAASA-N 2 1 331.485 3.329 20 0 EGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000414815142 309103386 /nfs/dbraw/zinc/10/33/86/309103386.db2.gz WXBKXDZJTCZZRX-UHFFFAOYSA-N 2 1 334.382 3.243 20 0 EGADMP Clc1c[nH+]ccc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000301520088 308703545 /nfs/dbraw/zinc/70/35/45/308703545.db2.gz FHSXVZJZCDWACW-UHFFFAOYSA-N 2 1 331.847 3.372 20 0 EGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414898015 309108007 /nfs/dbraw/zinc/10/80/07/309108007.db2.gz FNXXVQNIBPJFLB-FQEVSTJZSA-N 2 1 326.488 3.475 20 0 EGADMP FC(F)Oc1c(Br)cccc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414912106 309108875 /nfs/dbraw/zinc/10/88/75/309108875.db2.gz XVRKVRSTZWPPCV-LLVKDONJSA-N 2 1 349.219 3.282 20 0 EGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c1C ZINC000414928512 309109631 /nfs/dbraw/zinc/10/96/31/309109631.db2.gz NIYIJPHIQDDAAH-YJBOKZPZSA-N 2 1 331.504 3.388 20 0 EGADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414936535 309110257 /nfs/dbraw/zinc/11/02/57/309110257.db2.gz WRJHRCCUCVUONM-CRAIPNDOSA-N 2 1 331.504 3.334 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ccc1OCC(F)(F)F ZINC000414943727 309110479 /nfs/dbraw/zinc/11/04/79/309110479.db2.gz FTJSKZODQVCUIC-JSGCOSHPSA-N 2 1 346.393 3.257 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414956325 309111264 /nfs/dbraw/zinc/11/12/64/309111264.db2.gz VFXYJDGJAHHGLY-FZKQIMNGSA-N 2 1 346.906 3.432 20 0 EGADMP COC[C@@]1(C[NH2+][C@H](C)Cc2c(Cl)cccc2Cl)CCC[NH2+]1 ZINC000414961355 309111614 /nfs/dbraw/zinc/11/16/14/309111614.db2.gz VEBPECNGTPVFNC-WBMJQRKESA-N 2 1 331.287 3.283 20 0 EGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000414975964 309112437 /nfs/dbraw/zinc/11/24/37/309112437.db2.gz PCVWWPUCWKLPFN-SFHVURJKSA-N 2 1 326.488 3.473 20 0 EGADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414986728 309112941 /nfs/dbraw/zinc/11/29/41/309112941.db2.gz JKRKBNQYPUDLDT-SECBINFHSA-N 2 1 341.171 3.175 20 0 EGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000414995403 309113271 /nfs/dbraw/zinc/11/32/71/309113271.db2.gz FOHQUEDTXXCKHO-INIZCTEOSA-N 2 1 348.441 3.330 20 0 EGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000414996610 309113278 /nfs/dbraw/zinc/11/32/78/309113278.db2.gz GNIMSBDRUZTZQT-RSRIQPTJSA-N 3 1 345.506 3.029 20 0 EGADMP CC(C)n1nccc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415013659 309114328 /nfs/dbraw/zinc/11/43/28/309114328.db2.gz YTHLJXXPQSQYMZ-QFBILLFUSA-N 2 1 330.451 3.086 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000415026247 309115083 /nfs/dbraw/zinc/11/50/83/309115083.db2.gz SIDFDCHUMFFMKL-ANTGDGSKSA-N 3 1 329.532 3.394 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000415026247 309115084 /nfs/dbraw/zinc/11/50/84/309115084.db2.gz SIDFDCHUMFFMKL-ANTGDGSKSA-N 3 1 329.532 3.394 20 0 EGADMP Fc1ccc(Cn2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cn2)cc1 ZINC000415034262 309115603 /nfs/dbraw/zinc/11/56/03/309115603.db2.gz CMJUTQKVFVBTSE-UYAOXDASSA-N 2 1 342.462 3.035 20 0 EGADMP Fc1ccc(Cn2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cn2)cc1 ZINC000415034262 309115604 /nfs/dbraw/zinc/11/56/04/309115604.db2.gz CMJUTQKVFVBTSE-UYAOXDASSA-N 2 1 342.462 3.035 20 0 EGADMP FC(F)Oc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1Br ZINC000415064834 309117978 /nfs/dbraw/zinc/11/79/78/309117978.db2.gz DUFUCWAMUCTKSR-UHFFFAOYSA-N 2 1 349.219 3.282 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000415094458 309119914 /nfs/dbraw/zinc/11/99/14/309119914.db2.gz XNODNDSMRUWMPZ-VQIMIIECSA-N 2 1 349.494 3.063 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C[C@@H]1C[NH3+] ZINC000415135488 309123120 /nfs/dbraw/zinc/12/31/20/309123120.db2.gz WSDPNQIBHRIYGG-AEFFLSMTSA-N 2 1 325.456 3.077 20 0 EGADMP COC(=O)CC1(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000420305446 309280777 /nfs/dbraw/zinc/28/07/77/309280777.db2.gz GIOKGSFQOOVPMC-MOPGFXCFSA-N 2 1 344.499 3.002 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420309707 309280945 /nfs/dbraw/zinc/28/09/45/309280945.db2.gz FGFHHMFZFLVDID-CVEARBPZSA-N 2 1 342.874 3.147 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420309707 309280946 /nfs/dbraw/zinc/28/09/46/309280946.db2.gz FGFHHMFZFLVDID-CVEARBPZSA-N 2 1 342.874 3.147 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000420310924 309281345 /nfs/dbraw/zinc/28/13/45/309281345.db2.gz VJYHTBZZAKZMHJ-HOJAQTOUSA-N 2 1 344.886 3.060 20 0 EGADMP Fc1cccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)co2)c1 ZINC000420319408 309281920 /nfs/dbraw/zinc/28/19/20/309281920.db2.gz ABMOVTCTIXXPEY-JKSUJKDBSA-N 2 1 329.419 3.302 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329418 309282600 /nfs/dbraw/zinc/28/26/00/309282600.db2.gz GSDDFANRLHYOQS-LZQZEXGQSA-N 2 1 343.515 3.070 20 0 EGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328493 309282701 /nfs/dbraw/zinc/28/27/01/309282701.db2.gz MQFJDJKHUNVENM-TZMCWYRMSA-N 2 1 326.843 3.227 20 0 EGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328493 309282702 /nfs/dbraw/zinc/28/27/02/309282702.db2.gz MQFJDJKHUNVENM-TZMCWYRMSA-N 2 1 326.843 3.227 20 0 EGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420333135 309282863 /nfs/dbraw/zinc/28/28/63/309282863.db2.gz SLRAPOJYYUOGAM-HIFRSBDPSA-N 2 1 340.414 3.036 20 0 EGADMP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420337800 309282955 /nfs/dbraw/zinc/28/29/55/309282955.db2.gz KDIJHTNACDBNSR-GOEBONIOSA-N 2 1 347.528 3.200 20 0 EGADMP CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420337805 309283090 /nfs/dbraw/zinc/28/30/90/309283090.db2.gz KDIJHTNACDBNSR-ZBFHGGJFSA-N 2 1 347.528 3.200 20 0 EGADMP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345768 309283364 /nfs/dbraw/zinc/28/33/64/309283364.db2.gz WOQHCZBLUBCYQB-IAGOWNOFSA-N 2 1 343.515 3.244 20 0 EGADMP [NH3+]C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)C1CCCCC1 ZINC000420360045 309283986 /nfs/dbraw/zinc/28/39/86/309283986.db2.gz GTIMOSOFOOBFGR-INIZCTEOSA-N 2 1 348.878 3.430 20 0 EGADMP FC(F)(F)c1ccc([C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420378828 309285330 /nfs/dbraw/zinc/28/53/30/309285330.db2.gz UQQZAAZXUWAMJE-PBHICJAKSA-N 2 1 342.405 3.468 20 0 EGADMP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)n2)cc1F ZINC000420395497 309286317 /nfs/dbraw/zinc/28/63/17/309286317.db2.gz DMCBOQYKFKIMCA-XJKSGUPXSA-N 2 1 346.450 3.033 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C[C@@H]1C[NH3+] ZINC000420400147 309286598 /nfs/dbraw/zinc/28/65/98/309286598.db2.gz IJAFBWFIZIKTTC-DOMZBBRYSA-N 2 1 348.288 3.414 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C[C@@H]1C[NH3+] ZINC000420400147 309286599 /nfs/dbraw/zinc/28/65/99/309286599.db2.gz IJAFBWFIZIKTTC-DOMZBBRYSA-N 2 1 348.288 3.414 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCSCC(C)C)CC2)CC1 ZINC000420974921 309305321 /nfs/dbraw/zinc/30/53/21/309305321.db2.gz FJPFPGKOVYERGL-UHFFFAOYSA-N 2 1 341.609 3.258 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3C(C)=CCC[C@H]3C)CC2)CC1 ZINC000421372694 309321190 /nfs/dbraw/zinc/32/11/90/309321190.db2.gz LIJSMJNSCWPSPZ-TZIWHRDSSA-N 2 1 333.564 3.471 20 0 EGADMP COC1([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CCCCC1 ZINC000421844506 309342983 /nfs/dbraw/zinc/34/29/83/309342983.db2.gz UDKYKWYZNYIZQG-PXNSSMCTSA-N 2 1 346.515 3.081 20 0 EGADMP CON1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000421875121 309344498 /nfs/dbraw/zinc/34/44/98/309344498.db2.gz JPNITARJVPCRRL-PWRODBHTSA-N 2 1 343.515 3.045 20 0 EGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(SC)cc1OC ZINC000422560001 309361644 /nfs/dbraw/zinc/36/16/44/309361644.db2.gz FPZNAHLMMNKINE-YDHLFZDLSA-N 2 1 338.517 3.231 20 0 EGADMP c1cn(-c2cccc(C[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)c2)cn1 ZINC000422739869 309366080 /nfs/dbraw/zinc/36/60/80/309366080.db2.gz ANZSIJGOJAEKNB-TZIWHRDSSA-N 2 1 332.451 3.455 20 0 EGADMP CCOc1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)O[C@H](C)C2 ZINC000422775344 309367796 /nfs/dbraw/zinc/36/77/96/309367796.db2.gz BFJYRAXUSAJIAV-UTRMSSBJSA-N 2 1 344.499 3.419 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2c(F)cccc2Cl)c2ccccc21 ZINC000422798250 309368969 /nfs/dbraw/zinc/36/89/69/309368969.db2.gz QHWMUIRCYAGSEK-RQUSPXKASA-N 2 1 348.849 3.365 20 0 EGADMP CCN(CC)[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)c1cccc(OC)c1 ZINC000422798483 309368974 /nfs/dbraw/zinc/36/89/74/309368974.db2.gz RIISONFTAAIJRB-PWIZWCRZSA-N 2 1 333.520 3.056 20 0 EGADMP c1ccc([C@@H]2C[C@H](N[C@H]3CC[N@H+](CC4CCCC4)C3)CC[NH2+]2)cc1 ZINC000422799729 309369143 /nfs/dbraw/zinc/36/91/43/309369143.db2.gz YETYHCBNHROVPZ-HKBOAZHASA-N 2 1 327.516 3.334 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422883514 309373931 /nfs/dbraw/zinc/37/39/31/309373931.db2.gz QOHZJMCSJLAFPD-XVSDAANHSA-N 3 1 327.516 3.434 20 0 EGADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422883514 309373932 /nfs/dbraw/zinc/37/39/32/309373932.db2.gz QOHZJMCSJLAFPD-XVSDAANHSA-N 2 1 327.516 3.434 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422883514 309373933 /nfs/dbraw/zinc/37/39/33/309373933.db2.gz QOHZJMCSJLAFPD-XVSDAANHSA-N 2 1 327.516 3.434 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000422902994 309375494 /nfs/dbraw/zinc/37/54/94/309375494.db2.gz VMIAENMVXAZMGZ-QRQLOZEOSA-N 2 1 331.504 3.106 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422912126 309375760 /nfs/dbraw/zinc/37/57/60/309375760.db2.gz VMVIXDYATQHORY-DOTOQJQBSA-N 2 1 332.536 3.400 20 0 EGADMP CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422912126 309375761 /nfs/dbraw/zinc/37/57/61/309375761.db2.gz VMVIXDYATQHORY-DOTOQJQBSA-N 2 1 332.536 3.400 20 0 EGADMP CC(C)[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000422942839 309377397 /nfs/dbraw/zinc/37/73/97/309377397.db2.gz QGNMRBOCGCNYQG-WMQCIHAUSA-N 2 1 329.532 3.047 20 0 EGADMP CC(C)[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000422942839 309377398 /nfs/dbraw/zinc/37/73/98/309377398.db2.gz QGNMRBOCGCNYQG-WMQCIHAUSA-N 2 1 329.532 3.047 20 0 EGADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422965427 309378692 /nfs/dbraw/zinc/37/86/92/309378692.db2.gz OOKBKMNWNNSJIT-PXNSSMCTSA-N 2 1 326.488 3.234 20 0 EGADMP c1coc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)[NH+]2CCCCC2)c1 ZINC000422967420 309378706 /nfs/dbraw/zinc/37/87/06/309378706.db2.gz TUJBJZNBANXCES-HCXYKTFWSA-N 2 1 331.504 3.317 20 0 EGADMP COC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(C)o1 ZINC000423006100 309380501 /nfs/dbraw/zinc/38/05/01/309380501.db2.gz OALOWTATWOKLQT-ABSDTBQOSA-N 2 1 342.439 3.121 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCCc2ccccc21 ZINC000423019631 309381441 /nfs/dbraw/zinc/38/14/41/309381441.db2.gz WNAWJAHAWHEZLX-FYZZASKESA-N 2 1 328.500 3.027 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCCc2ccccc21 ZINC000423019629 309381446 /nfs/dbraw/zinc/38/14/46/309381446.db2.gz WNAWJAHAWHEZLX-AYWYSENESA-N 2 1 328.500 3.027 20 0 EGADMP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000423027891 309381839 /nfs/dbraw/zinc/38/18/39/309381839.db2.gz FKEIPTFYIBSELG-FEKWIAJESA-N 3 1 327.516 3.147 20 0 EGADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000423046786 309382915 /nfs/dbraw/zinc/38/29/15/309382915.db2.gz FTCPSIDNRAMTQL-FCLJQHQZSA-N 2 1 341.421 3.181 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000423061585 309383815 /nfs/dbraw/zinc/38/38/15/309383815.db2.gz LBTBARFZAMXZCB-KCQAQPDRSA-N 2 1 327.394 3.014 20 0 EGADMP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c(C)c1 ZINC000423074089 309384550 /nfs/dbraw/zinc/38/45/50/309384550.db2.gz TXLRUIQYYHBINL-ZCNNSNEGSA-N 2 1 332.488 3.031 20 0 EGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccncc1OCC(F)F ZINC000423098080 309385874 /nfs/dbraw/zinc/38/58/74/309385874.db2.gz KABTYAAYZAGMFQ-DZGCQCFKSA-N 2 1 327.419 3.126 20 0 EGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000423167824 309389003 /nfs/dbraw/zinc/38/90/03/309389003.db2.gz XHJKULOGKFFXRZ-JKSUJKDBSA-N 2 1 330.451 3.412 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H](NC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423193568 309389854 /nfs/dbraw/zinc/38/98/54/309389854.db2.gz WYZUOYZXAIXPEW-SESVDKBCSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423193568 309389855 /nfs/dbraw/zinc/38/98/55/309389855.db2.gz WYZUOYZXAIXPEW-SESVDKBCSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423193568 309389856 /nfs/dbraw/zinc/38/98/56/309389856.db2.gz WYZUOYZXAIXPEW-SESVDKBCSA-N 3 1 327.516 3.019 20 0 EGADMP [NH3+]C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000423223995 309391198 /nfs/dbraw/zinc/39/11/98/309391198.db2.gz BFSXPVVETVOXOS-JRGKDQQJSA-N 3 1 327.516 3.289 20 0 EGADMP [NH3+]C1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000423223995 309391199 /nfs/dbraw/zinc/39/11/99/309391199.db2.gz BFSXPVVETVOXOS-JRGKDQQJSA-N 2 1 327.516 3.289 20 0 EGADMP [NH3+]C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1CCCCC1 ZINC000423264302 309392959 /nfs/dbraw/zinc/39/29/59/309392959.db2.gz PUTJQNWSHNKWOI-YSFYHYPLSA-N 2 1 341.543 3.394 20 0 EGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423266712 309393092 /nfs/dbraw/zinc/39/30/92/309393092.db2.gz CBBFFSWQRAZWFY-FDQGKXFDSA-N 2 1 336.451 3.162 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCC[NH2+]C1CCCCCC1 ZINC000423275642 309393608 /nfs/dbraw/zinc/39/36/08/309393608.db2.gz MBQQSAUGENGRNJ-WIYYLYMNSA-N 2 1 344.547 3.194 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000423300001 309394385 /nfs/dbraw/zinc/39/43/85/309394385.db2.gz QTOPYSBXIIOFKY-UYAOXDASSA-N 2 1 327.472 3.481 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000423319381 309394977 /nfs/dbraw/zinc/39/49/77/309394977.db2.gz FMXKEMKZWXUIAA-MAUKXSAKSA-N 2 1 340.471 3.381 20 0 EGADMP COC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423321098 309395151 /nfs/dbraw/zinc/39/51/51/309395151.db2.gz GCOXARVFBFQLBQ-JKSUJKDBSA-N 2 1 330.394 3.372 20 0 EGADMP COc1ccc(C[C@@H]([NH2+]C[C@H]([NH3+])C2CC2)c2ccc(OC)cc2)cc1 ZINC000423336526 309395904 /nfs/dbraw/zinc/39/59/04/309395904.db2.gz XTIDCUNGZZCNFB-LEWJYISDSA-N 2 1 340.467 3.315 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]([NH3+])C2CCC2)c1 ZINC000423339331 309395950 /nfs/dbraw/zinc/39/59/50/309395950.db2.gz WJFVJXVXVAIPMJ-KRWDZBQOSA-N 2 1 326.444 3.121 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)nnn1-c1ccc(Cl)cc1 ZINC000423396791 309398664 /nfs/dbraw/zinc/39/86/64/309398664.db2.gz SONDZLXFSLMZSG-GLQYFDAESA-N 2 1 333.867 3.150 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000423407012 309398874 /nfs/dbraw/zinc/39/88/74/309398874.db2.gz LMKXLCDXEPGXBZ-JKSUJKDBSA-N 2 1 331.504 3.337 20 0 EGADMP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(OC)c3ccccc32)CCC[NH2+]1 ZINC000423426180 309399945 /nfs/dbraw/zinc/39/99/45/309399945.db2.gz MYCKEYKGOLVKKN-YWZLYKJASA-N 2 1 328.456 3.268 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000427288876 309526491 /nfs/dbraw/zinc/52/64/91/309526491.db2.gz RUHMUWXMCKPHGP-DOTOQJQBSA-N 2 1 340.471 3.138 20 0 EGADMP COCC[NH+]1CCC([NH2+]CCc2cn(C)c3cc(Cl)ccc23)CC1 ZINC000437036220 309786037 /nfs/dbraw/zinc/78/60/37/309786037.db2.gz YICNECBQLGKPJI-UHFFFAOYSA-N 2 1 349.906 3.075 20 0 EGADMP C[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1cc(F)cc(F)c1 ZINC000449052257 310033360 /nfs/dbraw/zinc/03/33/60/310033360.db2.gz YVQXVBSYMBTVPV-WEZQJLTASA-N 2 1 338.442 3.252 20 0 EGADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1cc(F)cc(F)c1 ZINC000449052257 310033361 /nfs/dbraw/zinc/03/33/61/310033361.db2.gz YVQXVBSYMBTVPV-WEZQJLTASA-N 2 1 338.442 3.252 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449106457 310037583 /nfs/dbraw/zinc/03/75/83/310037583.db2.gz MFTFYAQZTRHQAB-HNNXBMFYSA-N 2 1 330.451 3.048 20 0 EGADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449582151 310073646 /nfs/dbraw/zinc/07/36/46/310073646.db2.gz DVVFCRSLNMLJPM-AFYVEPGGSA-N 2 1 344.499 3.361 20 0 EGADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449582151 310073647 /nfs/dbraw/zinc/07/36/47/310073647.db2.gz DVVFCRSLNMLJPM-AFYVEPGGSA-N 2 1 344.499 3.361 20 0 EGADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000449905504 310093373 /nfs/dbraw/zinc/09/33/73/310093373.db2.gz FYVQZOSKSDSNPR-AZUAARDMSA-N 2 1 347.547 3.260 20 0 EGADMP CCCc1ccc2[nH+]ccc(N[C@H](C)CCN3CC[NH+](C)CC3)c2c1 ZINC000450460534 310123892 /nfs/dbraw/zinc/12/38/92/310123892.db2.gz ORGBTYJLCOUWEA-QGZVFWFLSA-N 2 1 340.515 3.047 20 0 EGADMP CC(C)C[C@H](C)[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000450645684 310134851 /nfs/dbraw/zinc/13/48/51/310134851.db2.gz GGCDVYLMDKBYJJ-BZSNNMDCSA-N 2 1 326.525 3.011 20 0 EGADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC000451535456 310183722 /nfs/dbraw/zinc/18/37/22/310183722.db2.gz OQCQUPACRKYYQK-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CCCC3CCCC3)C2)CC1 ZINC000451535456 310183723 /nfs/dbraw/zinc/18/37/23/310183723.db2.gz OQCQUPACRKYYQK-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CCCC3CCCC3)C2)CC1 ZINC000451535456 310183724 /nfs/dbraw/zinc/18/37/24/310183724.db2.gz OQCQUPACRKYYQK-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CCCC3CCCC3)C2)CC1 ZINC000451535456 310183725 /nfs/dbraw/zinc/18/37/25/310183725.db2.gz OQCQUPACRKYYQK-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC000451535456 310183726 /nfs/dbraw/zinc/18/37/26/310183726.db2.gz OQCQUPACRKYYQK-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000453058132 310254837 /nfs/dbraw/zinc/25/48/37/310254837.db2.gz KAIGWVZXNPWJSI-MSOLQXFVSA-N 2 1 338.499 3.429 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c2nccn21 ZINC000453092980 310257393 /nfs/dbraw/zinc/25/73/93/310257393.db2.gz ROWWQUXBWNTVFX-HLLBOEOZSA-N 2 1 330.501 3.452 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453107519 310258351 /nfs/dbraw/zinc/25/83/51/310258351.db2.gz LICKBTKQDCFJDT-VSKRKVRLSA-N 3 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453107519 310258352 /nfs/dbraw/zinc/25/83/52/310258352.db2.gz LICKBTKQDCFJDT-VSKRKVRLSA-N 2 1 341.543 3.361 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCN(C4CC4)C3)[C@H]3CCC[C@@H]32)cc1 ZINC000453110569 310258716 /nfs/dbraw/zinc/25/87/16/310258716.db2.gz QKBPHSQRUVJJQV-YJMBLLCNSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH+](C4CC4)C3)[C@H]3CCC[C@@H]32)cc1 ZINC000453110569 310258717 /nfs/dbraw/zinc/25/87/17/310258717.db2.gz QKBPHSQRUVJJQV-YJMBLLCNSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH+](C4CC4)C3)[C@H]3CCC[C@@H]32)cc1 ZINC000453110569 310258718 /nfs/dbraw/zinc/25/87/18/310258718.db2.gz QKBPHSQRUVJJQV-YJMBLLCNSA-N 2 1 339.527 3.256 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453175783 310262455 /nfs/dbraw/zinc/26/24/55/310262455.db2.gz LSENVFOKCOUVBQ-OALUTQOASA-N 2 1 334.891 3.282 20 0 EGADMP Cn1ccnc1[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000453194157 310263289 /nfs/dbraw/zinc/26/32/89/310263289.db2.gz GPUITQLZPNQVCH-KRWDZBQOSA-N 2 1 346.906 3.484 20 0 EGADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C[NH+](C)C ZINC000453225823 310265281 /nfs/dbraw/zinc/26/52/81/310265281.db2.gz CBVLDGLWLOAXHN-GFOJFJKKSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C[NH+](C)C ZINC000453225823 310265282 /nfs/dbraw/zinc/26/52/82/310265282.db2.gz CBVLDGLWLOAXHN-GFOJFJKKSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C[NH+](C)C ZINC000453225823 310265283 /nfs/dbraw/zinc/26/52/83/310265283.db2.gz CBVLDGLWLOAXHN-GFOJFJKKSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000453338940 310271818 /nfs/dbraw/zinc/27/18/18/310271818.db2.gz GCXGPTUPJXLZIA-RLFYNMQTSA-N 2 1 328.460 3.180 20 0 EGADMP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000453374548 310273544 /nfs/dbraw/zinc/27/35/44/310273544.db2.gz OZNBIYPRQCPBLX-KJRRRBQDSA-N 2 1 328.500 3.300 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+]4CCC[C@]5(CCOC5)C4)[C@@H]3C2)cc1 ZINC000453384676 310274137 /nfs/dbraw/zinc/27/41/37/310274137.db2.gz TWMMNHQECCHNED-LRSLUSHPSA-N 2 1 340.511 3.400 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[C@H]([N@@H+]4CCC[C@]5(CCOC5)C4)[C@@H]3C2)cc1 ZINC000453384676 310274138 /nfs/dbraw/zinc/27/41/38/310274138.db2.gz TWMMNHQECCHNED-LRSLUSHPSA-N 2 1 340.511 3.400 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[C@H]([N@H+]4CCC[C@]5(CCOC5)C4)[C@@H]3C2)cc1 ZINC000453384676 310274139 /nfs/dbraw/zinc/27/41/39/310274139.db2.gz TWMMNHQECCHNED-LRSLUSHPSA-N 2 1 340.511 3.400 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(N2CCCC2=O)c1 ZINC000453387790 310274292 /nfs/dbraw/zinc/27/42/92/310274292.db2.gz BFRSFVPDAJCZPP-MRXNPFEDSA-N 2 1 329.488 3.338 20 0 EGADMP Cc1cnc(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000453419321 310276109 /nfs/dbraw/zinc/27/61/09/310276109.db2.gz YSRULKOUEZOPPK-UHFFFAOYSA-N 2 1 338.499 3.360 20 0 EGADMP Cc1cc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cn2cc[nH+]c12 ZINC000455614485 310369606 /nfs/dbraw/zinc/36/96/06/310369606.db2.gz CWDSGDMXPRGDQG-INIZCTEOSA-N 2 1 341.459 3.029 20 0 EGADMP Cc1cc(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cn2cc[nH+]c12 ZINC000455614485 310369607 /nfs/dbraw/zinc/36/96/07/310369607.db2.gz CWDSGDMXPRGDQG-INIZCTEOSA-N 2 1 341.459 3.029 20 0 EGADMP C[C@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000456266440 310395640 /nfs/dbraw/zinc/39/56/40/310395640.db2.gz IFXXDMSMRZPINA-NXEZDXNNSA-N 2 1 329.488 3.435 20 0 EGADMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000481071141 310905519 /nfs/dbraw/zinc/90/55/19/310905519.db2.gz HVWHQBWBIKYRFU-UHFFFAOYSA-N 2 1 344.286 3.206 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)c1ccccc1 ZINC000482140082 310926907 /nfs/dbraw/zinc/92/69/07/310926907.db2.gz VZDMBZWVEVKBLX-PKOBYXMFSA-N 2 1 331.504 3.140 20 0 EGADMP CC(C)C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H](O)C[NH+](C)C ZINC000482645678 310935348 /nfs/dbraw/zinc/93/53/48/310935348.db2.gz HZXRTRDDXBODMD-CVEARBPZSA-N 2 1 347.330 3.463 20 0 EGADMP C[C@@H](NC(=O)c1ccccc1C[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000487013221 311006948 /nfs/dbraw/zinc/00/69/48/311006948.db2.gz CFVWZIZGTKQCDL-SJORKVTESA-N 2 1 343.515 3.131 20 0 EGADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc[nH+]c2ccccc21 ZINC000491169411 311166536 /nfs/dbraw/zinc/16/65/36/311166536.db2.gz BUDHVCVGVOBTTC-QFIPXVFZSA-N 2 1 347.462 3.308 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000491589906 311185994 /nfs/dbraw/zinc/18/59/94/311185994.db2.gz VIXYILMKWGJHAY-AWEZNQCLSA-N 2 1 348.922 3.489 20 0 EGADMP C[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C)C[NH+](C)C ZINC000491588900 311186000 /nfs/dbraw/zinc/18/60/00/311186000.db2.gz MNEJAYPGJIDXOX-INIZCTEOSA-N 2 1 328.504 3.457 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(C3CCC3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000508878908 312104503 /nfs/dbraw/zinc/10/45/03/312104503.db2.gz OCONVWUASJRTJA-AVRDEDQJSA-N 2 1 341.543 3.412 20 0 EGADMP CCC(C)(C)[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000512279211 312181359 /nfs/dbraw/zinc/18/13/59/312181359.db2.gz LSKTXTVWUNKIDD-UHFFFAOYSA-N 2 1 345.531 3.196 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC4CCCCC4)CC3)C2)cc1 ZINC000512420170 312184807 /nfs/dbraw/zinc/18/48/07/312184807.db2.gz HXWFSPZKTUKTMX-QFIPXVFZSA-N 2 1 341.543 3.459 20 0 EGADMP CCOCCC[N@H+]1CC[C@H](Nc2ccc(N(CC)CC)nc2)[C@H](C)C1 ZINC000537455263 314182290 /nfs/dbraw/zinc/18/22/90/314182290.db2.gz BPROTGPKNGJDFC-MJGOQNOKSA-N 2 1 348.535 3.477 20 0 EGADMP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1(C)C ZINC000538406865 314245456 /nfs/dbraw/zinc/24/54/56/314245456.db2.gz XAPNWMAYJKXANP-CWFSZBLJSA-N 2 1 348.506 3.482 20 0 EGADMP OCc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000538761794 314273990 /nfs/dbraw/zinc/27/39/90/314273990.db2.gz CNPDWIOTGCYLKK-UHFFFAOYSA-N 2 1 340.467 3.260 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000539407563 314312183 /nfs/dbraw/zinc/31/21/83/314312183.db2.gz NKHKDRRIBVQZFQ-PXNSSMCTSA-N 2 1 334.504 3.231 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000539558248 314320415 /nfs/dbraw/zinc/32/04/15/314320415.db2.gz LYYNAYMJXVLLPH-LRDDRELGSA-N 2 1 331.287 3.440 20 0 EGADMP Cc1ccc(NC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1C ZINC000548299560 314991559 /nfs/dbraw/zinc/99/15/59/314991559.db2.gz FMACJOYOFFZIBD-UHFFFAOYSA-N 2 1 339.443 3.094 20 0 EGADMP Cc1sccc1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000550080851 315115686 /nfs/dbraw/zinc/11/56/86/315115686.db2.gz ZBWFXARPTYFFAY-INIZCTEOSA-N 2 1 335.542 3.196 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000550199979 315120317 /nfs/dbraw/zinc/12/03/17/315120317.db2.gz SKLHLZHSVHGOSB-OAHLLOKOSA-N 2 1 335.289 3.158 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CCCO1 ZINC000551517014 315156858 /nfs/dbraw/zinc/15/68/58/315156858.db2.gz ASDYCFZOINXFIO-HOJAQTOUSA-N 2 1 346.515 3.323 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CCCO1 ZINC000551517014 315156860 /nfs/dbraw/zinc/15/68/60/315156860.db2.gz ASDYCFZOINXFIO-HOJAQTOUSA-N 2 1 346.515 3.323 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000554388162 315315211 /nfs/dbraw/zinc/31/52/11/315315211.db2.gz FBTJBZGBRPRVRR-PMXSJFBMSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000554388162 315315214 /nfs/dbraw/zinc/31/52/14/315315214.db2.gz FBTJBZGBRPRVRR-PMXSJFBMSA-N 2 1 330.516 3.428 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000555618850 315394838 /nfs/dbraw/zinc/39/48/38/315394838.db2.gz QKYPZQPPVNJGGM-LJQANCHMSA-N 2 1 334.479 3.381 20 0 EGADMP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cc(Cl)cs2)c2ccccc2)CC1 ZINC000563813123 316073046 /nfs/dbraw/zinc/07/30/46/316073046.db2.gz FRAPTPLJUSXAFU-GOSISDBHSA-N 2 1 349.931 3.480 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c2ccccc21 ZINC000564074333 316109453 /nfs/dbraw/zinc/10/94/53/316109453.db2.gz WYUJXGHMOWITNU-ATZDWAIDSA-N 2 1 336.439 3.027 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@H]([NH3+])Cc3ccccc3)c2C1 ZINC000564731661 316196079 /nfs/dbraw/zinc/19/60/79/316196079.db2.gz USIMMTHGWWQAIB-GOSISDBHSA-N 2 1 337.467 3.311 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@H]([NH3+])Cc3ccccc3)c2C1 ZINC000564731661 316196082 /nfs/dbraw/zinc/19/60/82/316196082.db2.gz USIMMTHGWWQAIB-GOSISDBHSA-N 2 1 337.467 3.311 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000564847527 316217677 /nfs/dbraw/zinc/21/76/77/316217677.db2.gz DHAURFXZJVQJBK-CQSZACIVSA-N 2 1 345.314 3.316 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000564847527 316217679 /nfs/dbraw/zinc/21/76/79/316217679.db2.gz DHAURFXZJVQJBK-CQSZACIVSA-N 2 1 345.314 3.316 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCCC12CC[NH+](C)CC2)c1ccc(Cl)cc1 ZINC000565166815 316279850 /nfs/dbraw/zinc/27/98/50/316279850.db2.gz ZQNITXQFJUSWMH-QGZVFWFLSA-N 2 1 349.906 3.030 20 0 EGADMP COc1cc(F)c(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000571451803 317201585 /nfs/dbraw/zinc/20/15/85/317201585.db2.gz DKULWGFKAMOAFN-HNNXBMFYSA-N 2 1 338.467 3.445 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000174516320 323307491 /nfs/dbraw/zinc/30/74/91/323307491.db2.gz DNLOHQDKYZOMJP-OCCSQVGLSA-N 2 1 326.868 3.320 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000174516320 323307495 /nfs/dbraw/zinc/30/74/95/323307495.db2.gz DNLOHQDKYZOMJP-OCCSQVGLSA-N 2 1 326.868 3.320 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000177902928 323347970 /nfs/dbraw/zinc/34/79/70/323347970.db2.gz KVNMSQFZPDPWPK-WWGRRREGSA-N 2 1 330.394 3.403 20 0 EGADMP C[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000385534773 324262269 /nfs/dbraw/zinc/26/22/69/324262269.db2.gz BBEOSPXYCDVFFL-WTNAPCKOSA-N 2 1 338.495 3.218 20 0 EGADMP CN(C(=O)C[C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388579004 324276352 /nfs/dbraw/zinc/27/63/52/324276352.db2.gz FNVUXBSUYBQZDQ-XUVXKRRUSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1COc2ccccc2C1 ZINC000398108278 324295859 /nfs/dbraw/zinc/29/58/59/324295859.db2.gz CERZUFOYIPRZAZ-DUXKGJEZSA-N 2 1 336.479 3.490 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1COc2ccccc2C1 ZINC000398108278 324295861 /nfs/dbraw/zinc/29/58/61/324295861.db2.gz CERZUFOYIPRZAZ-DUXKGJEZSA-N 2 1 336.479 3.490 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC000518833430 324390456 /nfs/dbraw/zinc/39/04/56/324390456.db2.gz SREOOWQEDIJNLU-PMACEKPBSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3CC(C)C)CC2)CC1 ZINC000578904451 325035739 /nfs/dbraw/zinc/03/57/39/325035739.db2.gz MZVJWVARPZTICX-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000579567816 325128669 /nfs/dbraw/zinc/12/86/69/325128669.db2.gz OEACVWUKGHEXTG-WMQCIHAUSA-N 2 1 327.516 3.102 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC(C)(C)C2)cc1 ZINC000579975414 325186483 /nfs/dbraw/zinc/18/64/83/325186483.db2.gz ROOKVWQWNYSHRF-OAHLLOKOSA-N 2 1 340.471 3.090 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[N@H+]2CCC(C)(C)C2)cc1 ZINC000579975414 325186484 /nfs/dbraw/zinc/18/64/84/325186484.db2.gz ROOKVWQWNYSHRF-OAHLLOKOSA-N 2 1 340.471 3.090 20 0 EGADMP c1cncc([C@@H]2CC[NH+](CCC[N@H+]3CC[C@@H](c4cccnc4)C3)C2)c1 ZINC000580427792 325248903 /nfs/dbraw/zinc/24/89/03/325248903.db2.gz PJCCTMHXQAQJDM-NHCUHLMSSA-N 2 1 336.483 3.146 20 0 EGADMP C[C@@H](C[NH2+]C1(CCO)CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000580678077 325281449 /nfs/dbraw/zinc/28/14/49/325281449.db2.gz VAQCONSRCHIMNL-AWEZNQCLSA-N 2 1 344.421 3.245 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428860514 458225001 /nfs/dbraw/zinc/22/50/01/458225001.db2.gz LQORWRZEOFQAQE-LBPRGKRZSA-N 2 1 336.423 3.093 20 0 EGADMP COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1cccc2nccn21 ZINC000180757978 455239909 /nfs/dbraw/zinc/23/99/09/455239909.db2.gz GPZOJSUOIUWXLM-UHFFFAOYSA-N 2 1 337.423 3.290 20 0 EGADMP COC(=O)CCCN(Cc1ccccc1)Cc1cccc2nccn21 ZINC000180757978 455239910 /nfs/dbraw/zinc/23/99/10/455239910.db2.gz GPZOJSUOIUWXLM-UHFFFAOYSA-N 2 1 337.423 3.290 20 0 EGADMP [NH3+]CCCCCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000237987510 455241746 /nfs/dbraw/zinc/24/17/46/455241746.db2.gz YEIMAGGDMCGXKD-IBGZPJMESA-N 2 1 331.504 3.067 20 0 EGADMP C[C@H](C[NH2+]Cc1cncc(Br)c1)C[NH+]1CCCCC1 ZINC000157861448 455241865 /nfs/dbraw/zinc/24/18/65/455241865.db2.gz PURAQFFZDMSULS-CYBMUJFWSA-N 2 1 326.282 3.056 20 0 EGADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443072503 459084436 /nfs/dbraw/zinc/08/44/36/459084436.db2.gz NPLNODPQOXVPRB-NWDGAFQWSA-N 2 1 344.286 3.381 20 0 EGADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443072503 459084440 /nfs/dbraw/zinc/08/44/40/459084440.db2.gz NPLNODPQOXVPRB-NWDGAFQWSA-N 2 1 344.286 3.381 20 0 EGADMP CC[C@H](C)C[N@@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000264693353 455264639 /nfs/dbraw/zinc/26/46/39/455264639.db2.gz FHZPOFIFUXTXBO-ZWKOTPCHSA-N 2 1 345.531 3.134 20 0 EGADMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccc1OC(F)F ZINC000067507254 453936778 /nfs/dbraw/zinc/93/67/78/453936778.db2.gz CEGJSIREMRPRGK-CQSZACIVSA-N 2 1 328.403 3.117 20 0 EGADMP CCC1(CC)[C@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C[C@H]1OC ZINC000181863098 455391929 /nfs/dbraw/zinc/39/19/29/455391929.db2.gz UMWPASKJDXFLTH-QZTJIDSGSA-N 2 1 346.519 3.246 20 0 EGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000265910719 455404136 /nfs/dbraw/zinc/40/41/36/455404136.db2.gz XUWXFMJHAROXKF-SFTDATJTSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000265910719 455404142 /nfs/dbraw/zinc/40/41/42/455404142.db2.gz XUWXFMJHAROXKF-SFTDATJTSA-N 2 1 349.478 3.141 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246045172 455417677 /nfs/dbraw/zinc/41/76/77/455417677.db2.gz XNWJQYQBKCFOPE-SJORKVTESA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000057889113 454155661 /nfs/dbraw/zinc/15/56/61/454155661.db2.gz NKVAWTYKOXETHI-KDURUIRLSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000089510714 454157342 /nfs/dbraw/zinc/15/73/42/454157342.db2.gz ODHWJNYIKMVRQV-UWVAXJGDSA-N 2 1 343.515 3.131 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2cccc(C(N)=O)c2)cc1 ZINC000089545792 454161247 /nfs/dbraw/zinc/16/12/47/454161247.db2.gz MURFWZPCYOZXMW-OAHLLOKOSA-N 2 1 348.450 3.173 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl)C[NH+]1CCCC1 ZINC000089697621 454178285 /nfs/dbraw/zinc/17/82/85/454178285.db2.gz COYNTTNBUSUETC-MLGOLLRUSA-N 2 1 329.271 3.027 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000089728344 454184115 /nfs/dbraw/zinc/18/41/15/454184115.db2.gz LRQBCJIKZYFKAG-WWGRRREGSA-N 2 1 348.878 3.251 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000130434051 454196618 /nfs/dbraw/zinc/19/66/18/454196618.db2.gz ZTEJGXWVQLHNDC-ZDUSSCGKSA-N 2 1 334.851 3.194 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000130434051 454196622 /nfs/dbraw/zinc/19/66/22/454196622.db2.gz ZTEJGXWVQLHNDC-ZDUSSCGKSA-N 2 1 334.851 3.194 20 0 EGADMP Cc1ccc(-c2ccc(C[NH2+]CCCCN3CC[NH+](C)CC3)o2)cc1 ZINC000119624271 454209093 /nfs/dbraw/zinc/20/90/93/454209093.db2.gz POMJMKARVPQWOI-UHFFFAOYSA-N 2 1 341.499 3.372 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOC2CCCCCC2)[C@H](C)C1 ZINC000131567624 454264962 /nfs/dbraw/zinc/26/49/62/454264962.db2.gz UKKYXDAFOQSMNV-QUCCMNQESA-N 2 1 340.552 3.452 20 0 EGADMP Clc1ccc(O[C@@H]2CC[N@@H+](CCn3ccnc3)C2)cc1Cl ZINC000131716355 454278390 /nfs/dbraw/zinc/27/83/90/454278390.db2.gz MNOUEIPGGURJEF-CYBMUJFWSA-N 2 1 326.227 3.343 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC000078637956 454290033 /nfs/dbraw/zinc/29/00/33/454290033.db2.gz MIMNFPDMLAKHMH-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP C[NH+]1CCC([NH2+]CCc2cc(Cl)ccc2Br)CC1 ZINC000090579557 454324005 /nfs/dbraw/zinc/32/40/05/454324005.db2.gz HORAIERTANWYGL-UHFFFAOYSA-N 2 1 331.685 3.329 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000090586601 454324225 /nfs/dbraw/zinc/32/42/25/454324225.db2.gz PQNXFRXRBZMXFY-INIZCTEOSA-N 2 1 336.549 3.070 20 0 EGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000090666980 454334018 /nfs/dbraw/zinc/33/40/18/454334018.db2.gz GMSKBVJLHYTZKF-KRWDZBQOSA-N 2 1 336.549 3.212 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000090666980 454334025 /nfs/dbraw/zinc/33/40/25/454334025.db2.gz GMSKBVJLHYTZKF-KRWDZBQOSA-N 2 1 336.549 3.212 20 0 EGADMP Cc1cc2ncn(C[C@@H](O)C[N@H+]3CCc4ccsc4C3)c2cc1C ZINC000132931952 454378574 /nfs/dbraw/zinc/37/85/74/454378574.db2.gz IXQSKTWBZGVCAP-INIZCTEOSA-N 2 1 341.480 3.134 20 0 EGADMP CCC(CC)[C@H](CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)[NH+](C)C ZINC000133146846 454396522 /nfs/dbraw/zinc/39/65/22/454396522.db2.gz KLXSRHYJIFKITM-YYWHXJBOSA-N 2 1 346.563 3.248 20 0 EGADMP CCC(CC)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)[NH+](C)C ZINC000133146846 454396528 /nfs/dbraw/zinc/39/65/28/454396528.db2.gz KLXSRHYJIFKITM-YYWHXJBOSA-N 2 1 346.563 3.248 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000091285169 454423380 /nfs/dbraw/zinc/42/33/80/454423380.db2.gz HUZOXAWBVWSLLA-NRFANRHFSA-N 2 1 329.532 3.453 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000063917479 454459856 /nfs/dbraw/zinc/45/98/56/454459856.db2.gz GZXFAFRMALKUJY-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000063917479 454459862 /nfs/dbraw/zinc/45/98/62/454459862.db2.gz GZXFAFRMALKUJY-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)s1 ZINC000092738296 454621210 /nfs/dbraw/zinc/62/12/10/454621210.db2.gz ITGBSAVPUPXJEZ-CQSZACIVSA-N 2 1 339.549 3.411 20 0 EGADMP CCCOc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000105443154 454639498 /nfs/dbraw/zinc/63/94/98/454639498.db2.gz CPVAHKLJAQAIFT-HNNXBMFYSA-N 2 1 331.460 3.415 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(C(=O)OC)c2)CC1 ZINC000052208744 454661672 /nfs/dbraw/zinc/66/16/72/454661672.db2.gz CVRVLAFRIMPFOA-UHFFFAOYSA-N 2 1 332.488 3.417 20 0 EGADMP CN(C)C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000635002860 460647026 /nfs/dbraw/zinc/64/70/26/460647026.db2.gz ALXWWWZBKLKDQZ-OAGGEKHMSA-N 2 1 329.410 3.168 20 0 EGADMP CC[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C)C1CC1 ZINC000135964161 454711894 /nfs/dbraw/zinc/71/18/94/454711894.db2.gz AMEYPZSHLDFGMD-KRWDZBQOSA-N 2 1 343.515 3.162 20 0 EGADMP CC[NH+](CC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000135964161 454711897 /nfs/dbraw/zinc/71/18/97/454711897.db2.gz AMEYPZSHLDFGMD-KRWDZBQOSA-N 2 1 343.515 3.162 20 0 EGADMP CC[NH+](CC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000135964161 454711898 /nfs/dbraw/zinc/71/18/98/454711898.db2.gz AMEYPZSHLDFGMD-KRWDZBQOSA-N 2 1 343.515 3.162 20 0 EGADMP CC[N@@H+](CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)C1CC1 ZINC000136005654 454714432 /nfs/dbraw/zinc/71/44/32/454714432.db2.gz LFGULZVMOQMMNB-UHFFFAOYSA-N 2 1 343.515 3.163 20 0 EGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124365656 454723526 /nfs/dbraw/zinc/72/35/26/454723526.db2.gz GANVJFPSUKSDEO-FQEVSTJZSA-N 2 1 345.531 3.072 20 0 EGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000124472552 454737633 /nfs/dbraw/zinc/73/76/33/454737633.db2.gz WLYBIYHYAHAVIZ-QZTJIDSGSA-N 2 1 347.547 3.050 20 0 EGADMP CCOc1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000124528847 454744753 /nfs/dbraw/zinc/74/47/53/454744753.db2.gz RZMJZUSEYDYZHB-QGZVFWFLSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCCC2)CC[N@H+]1C ZINC000153027407 454754117 /nfs/dbraw/zinc/75/41/17/454754117.db2.gz WGIBINUPBJKMOQ-HOTGVXAUSA-N 2 1 339.524 3.286 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@H]4OCC[C@@H]43)CC2)cc1 ZINC000124937101 454783993 /nfs/dbraw/zinc/78/39/93/454783993.db2.gz CSIGOTOCEVAZIM-NJDAHSKKSA-N 2 1 346.490 3.380 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCOCC3CC3)CC2)cc1 ZINC000162867581 454805612 /nfs/dbraw/zinc/80/56/12/454805612.db2.gz DUTNXODASKNABJ-UHFFFAOYSA-N 2 1 334.479 3.239 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000163457069 454849126 /nfs/dbraw/zinc/84/91/26/454849126.db2.gz MSHSSNRPVDTJBF-MRXNPFEDSA-N 2 1 329.488 3.389 20 0 EGADMP CC(C)n1ccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000177512870 454871828 /nfs/dbraw/zinc/87/18/28/454871828.db2.gz DWBGZROZQZAZIZ-HDICACEKSA-N 2 1 348.535 3.175 20 0 EGADMP CC(C)n1ccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000177512870 454871831 /nfs/dbraw/zinc/87/18/31/454871831.db2.gz DWBGZROZQZAZIZ-HDICACEKSA-N 2 1 348.535 3.175 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000165360950 454898533 /nfs/dbraw/zinc/89/85/33/454898533.db2.gz IOIZYPXEJMNHHY-OXQOHEQNSA-N 2 1 333.495 3.110 20 0 EGADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(F)cc1F ZINC000154502183 454902346 /nfs/dbraw/zinc/90/23/46/454902346.db2.gz UFZNKDYODZKROT-LJQANCHMSA-N 2 1 339.474 3.423 20 0 EGADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccccc1OC ZINC000154532856 454904970 /nfs/dbraw/zinc/90/49/70/454904970.db2.gz LVCJKDZJCJCTJZ-LJQANCHMSA-N 2 1 333.520 3.154 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000177838013 454912230 /nfs/dbraw/zinc/91/22/30/454912230.db2.gz FILFSDYBMQZJOK-VKJFTORMSA-N 2 1 341.455 3.350 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126779069 454917696 /nfs/dbraw/zinc/91/76/96/454917696.db2.gz CFYKILYZZYIVOB-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1nc(C)c([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000178037975 454928677 /nfs/dbraw/zinc/92/86/77/454928677.db2.gz ZAXROGBYEAVTIQ-HZSPNIEDSA-N 2 1 325.522 3.300 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CC2CCCCC2)C2CC2)CC1 ZINC000114455460 454955581 /nfs/dbraw/zinc/95/55/81/454955581.db2.gz IUDBNEHUVCCVOV-UHFFFAOYSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(Cc3cc(O)ccc3Br)CC[C@@H]21 ZINC000156095696 455081480 /nfs/dbraw/zinc/08/14/80/455081480.db2.gz KDSFDDPIQAZVCZ-WBMJQRKESA-N 2 1 339.277 3.071 20 0 EGADMP COc1cccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1OC(F)F ZINC000623654576 460661313 /nfs/dbraw/zinc/66/13/13/460661313.db2.gz CSUIYDJDAMJUGP-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP COc1cccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1OC(F)F ZINC000623654576 460661317 /nfs/dbraw/zinc/66/13/17/460661317.db2.gz CSUIYDJDAMJUGP-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000156326014 455105160 /nfs/dbraw/zinc/10/51/60/455105160.db2.gz CTYGCEONPHTTCZ-LPHOPBHVSA-N 2 1 325.456 3.090 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000156326014 455105162 /nfs/dbraw/zinc/10/51/62/455105162.db2.gz CTYGCEONPHTTCZ-LPHOPBHVSA-N 2 1 325.456 3.090 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000156326014 455105164 /nfs/dbraw/zinc/10/51/64/455105164.db2.gz CTYGCEONPHTTCZ-LPHOPBHVSA-N 2 1 325.456 3.090 20 0 EGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656781 460662588 /nfs/dbraw/zinc/66/25/88/460662588.db2.gz BNQOYLYYXKHHNA-GOSISDBHSA-N 2 1 326.488 3.311 20 0 EGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656781 460662592 /nfs/dbraw/zinc/66/25/92/460662592.db2.gz BNQOYLYYXKHHNA-GOSISDBHSA-N 2 1 326.488 3.311 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3C)CCOCC2)[C@H](C)C1 ZINC000152409677 455114299 /nfs/dbraw/zinc/11/42/99/455114299.db2.gz DPZMTJUVWRMTIK-QUCCMNQESA-N 2 1 330.516 3.363 20 0 EGADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000156407261 455115154 /nfs/dbraw/zinc/11/51/54/455115154.db2.gz YVNYSMQFNZOUCG-WMZOPIPTSA-N 2 1 339.439 3.179 20 0 EGADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000156407261 455115157 /nfs/dbraw/zinc/11/51/57/455115157.db2.gz YVNYSMQFNZOUCG-WMZOPIPTSA-N 2 1 339.439 3.179 20 0 EGADMP C[C@H](NCC[N@@H+]1CCC[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000156659162 455142086 /nfs/dbraw/zinc/14/20/86/455142086.db2.gz WQZDRAABOKAION-ROUUACIJSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@H](NCC[N@H+]1CCC[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000156659162 455142092 /nfs/dbraw/zinc/14/20/92/455142092.db2.gz WQZDRAABOKAION-ROUUACIJSA-N 2 1 333.520 3.010 20 0 EGADMP CC1(C)[C@@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[C@H]2CCO[C@@H]21 ZINC000180167212 455143583 /nfs/dbraw/zinc/14/35/83/455143583.db2.gz LGWGMPBKMLWYLR-ZJKGHYPUSA-N 2 1 340.511 3.300 20 0 EGADMP C[C@@H](C[C@@H]1CCCO1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000156736171 455147596 /nfs/dbraw/zinc/14/75/96/455147596.db2.gz JXPHNASXBXCDPA-JXFKEZNVSA-N 2 1 334.479 3.380 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000180228749 455150208 /nfs/dbraw/zinc/15/02/08/455150208.db2.gz IMMNANQXJYACEA-VGOVLVCLSA-N 2 1 326.843 3.381 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000180228749 455150209 /nfs/dbraw/zinc/15/02/09/455150209.db2.gz IMMNANQXJYACEA-VGOVLVCLSA-N 2 1 326.843 3.381 20 0 EGADMP CC(C)CC[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156933916 455157844 /nfs/dbraw/zinc/15/78/44/455157844.db2.gz JSLXWKGUQYZPAX-XLIONFOSSA-N 2 1 345.531 3.298 20 0 EGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@H](C)C2 ZINC000180452978 455172787 /nfs/dbraw/zinc/17/27/87/455172787.db2.gz BYBHXMKKGJCCTM-UTKZUKDTSA-N 2 1 329.532 3.092 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000623657079 460666095 /nfs/dbraw/zinc/66/60/95/460666095.db2.gz JHMXZHVAXHBCGY-GIVPXCGWSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000623657079 460666100 /nfs/dbraw/zinc/66/61/00/460666100.db2.gz JHMXZHVAXHBCGY-GIVPXCGWSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000623657079 460666105 /nfs/dbraw/zinc/66/61/05/460666105.db2.gz JHMXZHVAXHBCGY-GIVPXCGWSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000623657079 460666111 /nfs/dbraw/zinc/66/61/11/460666111.db2.gz JHMXZHVAXHBCGY-GIVPXCGWSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000623657079 460666118 /nfs/dbraw/zinc/66/61/18/460666118.db2.gz JHMXZHVAXHBCGY-GIVPXCGWSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000623657079 460666123 /nfs/dbraw/zinc/66/61/23/460666123.db2.gz JHMXZHVAXHBCGY-GIVPXCGWSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000623657079 460666129 /nfs/dbraw/zinc/66/61/29/460666129.db2.gz JHMXZHVAXHBCGY-GIVPXCGWSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000623657079 460666136 /nfs/dbraw/zinc/66/61/36/460666136.db2.gz JHMXZHVAXHBCGY-GIVPXCGWSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000623657079 460666139 /nfs/dbraw/zinc/66/61/39/460666139.db2.gz JHMXZHVAXHBCGY-GIVPXCGWSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccc(O)cc3)cc2)C[C@H](C)O1 ZINC000237634458 455200974 /nfs/dbraw/zinc/20/09/74/455200974.db2.gz SWRIJBHLPBIMNZ-CALCHBBNSA-N 2 1 340.467 3.291 20 0 EGADMP COCCCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000264393404 455204500 /nfs/dbraw/zinc/20/45/00/455204500.db2.gz SRQHCAJZBQUWLP-NRFANRHFSA-N 2 1 348.531 3.181 20 0 EGADMP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000623657234 460666158 /nfs/dbraw/zinc/66/61/58/460666158.db2.gz LUWAGGQQJICRSE-KRWDZBQOSA-N 2 1 326.488 3.217 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(F)c1 ZINC000180642401 455216224 /nfs/dbraw/zinc/21/62/24/455216224.db2.gz CLBBOOIBBSFUEM-QRWLVFNGSA-N 2 1 328.431 3.243 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000245417390 455293040 /nfs/dbraw/zinc/29/30/40/455293040.db2.gz FZROQMUBOQBNLU-CVEARBPZSA-N 2 1 349.544 3.399 20 0 EGADMP CC(C)c1cnc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000183564835 455306703 /nfs/dbraw/zinc/30/67/03/455306703.db2.gz JRZLKPKOYJXCJV-GASCZTMLSA-N 2 1 325.522 3.246 20 0 EGADMP CC(C)N1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1=O ZINC000245478348 455310610 /nfs/dbraw/zinc/31/06/10/455310610.db2.gz VJMOVUBXYSAYLG-PXNSSMCTSA-N 2 1 343.515 3.160 20 0 EGADMP CCOC(=O)CCCCC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000265457857 455328731 /nfs/dbraw/zinc/32/87/31/455328731.db2.gz MIYLJWDQKDBGKF-KRWDZBQOSA-N 2 1 333.476 3.247 20 0 EGADMP CCOC(=O)CCCCC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000265457857 455328735 /nfs/dbraw/zinc/32/87/35/455328735.db2.gz MIYLJWDQKDBGKF-KRWDZBQOSA-N 2 1 333.476 3.247 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245914199 455397985 /nfs/dbraw/zinc/39/79/85/455397985.db2.gz GEXIHEOEHWKLBY-ZACQAIPSSA-N 2 1 339.524 3.001 20 0 EGADMP CC[N@H+]1CCC([NH2+]Cc2cccc(OCC(F)(F)F)c2)C(C)C1 ZINC000246173580 455441515 /nfs/dbraw/zinc/44/15/15/455441515.db2.gz MRJXDMLBHGRBJC-XJKSGUPXSA-N 2 1 330.394 3.448 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)[C@@H](C)C1 ZINC000246173580 455441529 /nfs/dbraw/zinc/44/15/29/455441529.db2.gz MRJXDMLBHGRBJC-XJKSGUPXSA-N 2 1 330.394 3.448 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)[C@@H](C)C1 ZINC000246173580 455441535 /nfs/dbraw/zinc/44/15/35/455441535.db2.gz MRJXDMLBHGRBJC-XJKSGUPXSA-N 2 1 330.394 3.448 20 0 EGADMP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000246194260 455445909 /nfs/dbraw/zinc/44/59/09/455445909.db2.gz LWMURBWDFFTNOM-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)cc1)C(C)C ZINC000246338752 455473053 /nfs/dbraw/zinc/47/30/53/455473053.db2.gz FDJAJFDRDQFBBN-APWZRJJASA-N 2 1 343.515 3.272 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1)C(C)C ZINC000246338752 455473057 /nfs/dbraw/zinc/47/30/57/455473057.db2.gz FDJAJFDRDQFBBN-APWZRJJASA-N 2 1 343.515 3.272 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1)C(C)C ZINC000246338752 455473061 /nfs/dbraw/zinc/47/30/61/455473061.db2.gz FDJAJFDRDQFBBN-APWZRJJASA-N 2 1 343.515 3.272 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)CC1 ZINC000191502179 455492230 /nfs/dbraw/zinc/49/22/30/455492230.db2.gz VQWCXTMNLSWTEN-QUCCMNQESA-N 2 1 347.522 3.420 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000185125086 455506075 /nfs/dbraw/zinc/50/60/75/455506075.db2.gz FIKRTFNGDGAPQO-SFHVURJKSA-N 2 1 328.460 3.057 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000191823943 455523052 /nfs/dbraw/zinc/52/30/52/455523052.db2.gz VMSJOZHRZDEWQU-AWEZNQCLSA-N 2 1 332.414 3.271 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000191823943 455523055 /nfs/dbraw/zinc/52/30/55/455523055.db2.gz VMSJOZHRZDEWQU-AWEZNQCLSA-N 2 1 332.414 3.271 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000246837407 455529060 /nfs/dbraw/zinc/52/90/60/455529060.db2.gz ASTCOJCONVHXSV-BLLLJJGKSA-N 2 1 343.284 3.451 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246837674 455529422 /nfs/dbraw/zinc/52/94/22/455529422.db2.gz OONSCMPWWAHJJJ-ORZNMBHWSA-N 2 1 347.547 3.019 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC000246853079 455530565 /nfs/dbraw/zinc/53/05/65/455530565.db2.gz CQZZZXPUFJNFQO-ZFWWWQNUSA-N 2 1 330.394 3.448 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC000246853079 455530569 /nfs/dbraw/zinc/53/05/69/455530569.db2.gz CQZZZXPUFJNFQO-ZFWWWQNUSA-N 2 1 330.394 3.448 20 0 EGADMP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000246886203 455533847 /nfs/dbraw/zinc/53/38/47/455533847.db2.gz IMTIETYFXFUOMN-WOJBJXKFSA-N 2 1 343.515 3.019 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000247053254 455552014 /nfs/dbraw/zinc/55/20/14/455552014.db2.gz NJVOMQKRCJZLQT-WSTZPKSXSA-N 3 1 347.547 3.226 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000247053254 455552016 /nfs/dbraw/zinc/55/20/16/455552016.db2.gz NJVOMQKRCJZLQT-WSTZPKSXSA-N 3 1 347.547 3.226 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000247053254 455552020 /nfs/dbraw/zinc/55/20/20/455552020.db2.gz NJVOMQKRCJZLQT-WSTZPKSXSA-N 3 1 347.547 3.226 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000267894996 455561579 /nfs/dbraw/zinc/56/15/79/455561579.db2.gz JYEIUQMKIFMITN-NRFANRHFSA-N 2 1 348.531 3.008 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cnn(C(C)C)c2)[C@@H](C)C1 ZINC000247118925 455561919 /nfs/dbraw/zinc/56/19/19/455561919.db2.gz AIVXUICPFOVGCC-LNLFQRSKSA-N 2 1 336.524 3.252 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cnn(C(C)C)c2)[C@@H](C)C1 ZINC000247118925 455561922 /nfs/dbraw/zinc/56/19/22/455561922.db2.gz AIVXUICPFOVGCC-LNLFQRSKSA-N 2 1 336.524 3.252 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC(F)F ZINC000247189015 455571592 /nfs/dbraw/zinc/57/15/92/455571592.db2.gz VQDCLWFZTAXEBH-OUCADQQQSA-N 2 1 328.403 3.115 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC(F)F ZINC000247189015 455571596 /nfs/dbraw/zinc/57/15/96/455571596.db2.gz VQDCLWFZTAXEBH-OUCADQQQSA-N 2 1 328.403 3.115 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247245895 455577874 /nfs/dbraw/zinc/57/78/74/455577874.db2.gz ZGAUGDQTOKQJIA-PXNSSMCTSA-N 2 1 329.532 3.143 20 0 EGADMP CC[N@@H+]1CC[C@H](NCC(C)(C)[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247245895 455577879 /nfs/dbraw/zinc/57/78/79/455577879.db2.gz ZGAUGDQTOKQJIA-PXNSSMCTSA-N 2 1 329.532 3.143 20 0 EGADMP CC[N@H+]1CC[C@H](NCC(C)(C)[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247245895 455577883 /nfs/dbraw/zinc/57/78/83/455577883.db2.gz ZGAUGDQTOKQJIA-PXNSSMCTSA-N 2 1 329.532 3.143 20 0 EGADMP CC[NH+]1CC[C@H](NCC(C)(C)[N@@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247245895 455577887 /nfs/dbraw/zinc/57/78/87/455577887.db2.gz ZGAUGDQTOKQJIA-PXNSSMCTSA-N 2 1 329.532 3.143 20 0 EGADMP CC[NH+]1CC[C@H](NCC(C)(C)[N@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247245895 455577890 /nfs/dbraw/zinc/57/78/90/455577890.db2.gz ZGAUGDQTOKQJIA-PXNSSMCTSA-N 2 1 329.532 3.143 20 0 EGADMP CC(C)C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+][C@H](C)c1ccccc1 ZINC000601021576 460679433 /nfs/dbraw/zinc/67/94/33/460679433.db2.gz DUSPGZXMSCIBAJ-RLLQIKCJSA-N 2 1 345.531 3.352 20 0 EGADMP CC(=O)Nc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185693353 455598472 /nfs/dbraw/zinc/59/84/72/455598472.db2.gz GCZPSMNQYXNVPT-MAUKXSAKSA-N 2 1 329.488 3.388 20 0 EGADMP CC(=O)Nc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185693353 455598475 /nfs/dbraw/zinc/59/84/75/455598475.db2.gz GCZPSMNQYXNVPT-MAUKXSAKSA-N 2 1 329.488 3.388 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1cccc(OCC(F)(F)F)c1)C2 ZINC000192675771 455667115 /nfs/dbraw/zinc/66/71/15/455667115.db2.gz VLKPJVRWIHDGIK-GOOCMWNKSA-N 2 1 328.378 3.343 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1cccc(OCC(F)(F)F)c1)C2 ZINC000192675771 455667120 /nfs/dbraw/zinc/66/71/20/455667120.db2.gz VLKPJVRWIHDGIK-GOOCMWNKSA-N 2 1 328.378 3.343 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCC(C)(C)[NH+]1CCCCC1 ZINC000248033599 455673300 /nfs/dbraw/zinc/67/33/00/455673300.db2.gz RAFLFTDTDULYNF-AZUAARDMSA-N 2 1 344.547 3.146 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCC(C)(C)[NH+]1CCCCC1 ZINC000248033599 455673304 /nfs/dbraw/zinc/67/33/04/455673304.db2.gz RAFLFTDTDULYNF-AZUAARDMSA-N 2 1 344.547 3.146 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN[C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000248033681 455673718 /nfs/dbraw/zinc/67/37/18/455673718.db2.gz RBJCYBAXUGKEPG-AEFFLSMTSA-N 2 1 342.487 3.134 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000192717162 455677115 /nfs/dbraw/zinc/67/71/15/455677115.db2.gz KBFSOHINBLSMCP-MRXNPFEDSA-N 2 1 339.474 3.374 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000248119500 455682539 /nfs/dbraw/zinc/68/25/39/455682539.db2.gz NEMGJQOPHGJTDC-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP CC1(C)CCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248149382 455688521 /nfs/dbraw/zinc/68/85/21/455688521.db2.gz QOHUUXRALSEJHD-RTBURBONSA-N 2 1 343.515 3.052 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cnc(-c3ccccc3)s2)CCCO1 ZINC000277865815 455691131 /nfs/dbraw/zinc/69/11/31/455691131.db2.gz NJTKPWDIIMDDGZ-INIZCTEOSA-N 2 1 345.512 3.401 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cnc(-c3ccccc3)s2)CCCO1 ZINC000277865815 455691136 /nfs/dbraw/zinc/69/11/36/455691136.db2.gz NJTKPWDIIMDDGZ-INIZCTEOSA-N 2 1 345.512 3.401 20 0 EGADMP Cc1ccccc1C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000284472680 455692213 /nfs/dbraw/zinc/69/22/13/455692213.db2.gz UMDKMHHFDZUAKO-RTWAWAEBSA-N 2 1 330.516 3.143 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@H](CC)[C@H](O)c2c(F)cccc2F)CC1 ZINC000271652617 455712387 /nfs/dbraw/zinc/71/23/87/455712387.db2.gz BPMULISWJCPGAJ-AEFFLSMTSA-N 2 1 326.431 3.241 20 0 EGADMP COc1ccsc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000186224230 455720545 /nfs/dbraw/zinc/72/05/45/455720545.db2.gz METHFWYVLLTFRA-IMJJTQAJSA-N 2 1 338.517 3.175 20 0 EGADMP Cc1c(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cnn1C ZINC000268908114 455727014 /nfs/dbraw/zinc/72/70/14/455727014.db2.gz MOQHCLIDPGJASS-UHFFFAOYSA-N 2 1 326.488 3.073 20 0 EGADMP CC(C)c1nc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cs1 ZINC000186320599 455742013 /nfs/dbraw/zinc/74/20/13/455742013.db2.gz PVJVCXYPDLPYAA-HNNXBMFYSA-N 2 1 338.565 3.191 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCc3c(O)cccc32)C[C@H](C)O1 ZINC000284858634 455753104 /nfs/dbraw/zinc/75/31/04/455753104.db2.gz ALDCTJTXITXUKA-JTDSTZFVSA-N 2 1 332.488 3.249 20 0 EGADMP COC(=O)c1cc([C@@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)oc1C ZINC000292780798 455755031 /nfs/dbraw/zinc/75/50/31/455755031.db2.gz ZBHXXRGEGIPCTM-IUODEOHRSA-N 2 1 331.416 3.105 20 0 EGADMP COC(=O)c1cc([C@@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)oc1C ZINC000292780798 455755034 /nfs/dbraw/zinc/75/50/34/455755034.db2.gz ZBHXXRGEGIPCTM-IUODEOHRSA-N 2 1 331.416 3.105 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(N2CCOC2=O)cc1 ZINC000271829327 455778384 /nfs/dbraw/zinc/77/83/84/455778384.db2.gz RLBSPPUYHCIWOR-DOTOQJQBSA-N 2 1 331.460 3.168 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000269269442 455825811 /nfs/dbraw/zinc/82/58/11/455825811.db2.gz CWWVDZBIIAUIGV-ZDUSSCGKSA-N 2 1 330.501 3.156 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000269269442 455825814 /nfs/dbraw/zinc/82/58/14/455825814.db2.gz CWWVDZBIIAUIGV-ZDUSSCGKSA-N 2 1 330.501 3.156 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000252674653 455827645 /nfs/dbraw/zinc/82/76/45/455827645.db2.gz TWSALLDGZALKJH-KGLIPLIRSA-N 2 1 339.277 3.174 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000252674653 455827650 /nfs/dbraw/zinc/82/76/50/455827650.db2.gz TWSALLDGZALKJH-KGLIPLIRSA-N 2 1 339.277 3.174 20 0 EGADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(Br)ccc1F ZINC000258919300 455899491 /nfs/dbraw/zinc/89/94/91/455899491.db2.gz FYVFWTVSZDSNIJ-UHFFFAOYSA-N 2 1 329.257 3.410 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261615097 455913885 /nfs/dbraw/zinc/91/38/85/455913885.db2.gz FPKNCEFOSOQPNH-GXTWGEPZSA-N 2 1 328.287 3.034 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261615097 455913890 /nfs/dbraw/zinc/91/38/90/455913890.db2.gz FPKNCEFOSOQPNH-GXTWGEPZSA-N 2 1 328.287 3.034 20 0 EGADMP COc1ccc(C[N@@H+](CC2CC[NH2+]CC2)[C@@H](C)C2CC2)c(OC)c1 ZINC000261768613 455944940 /nfs/dbraw/zinc/94/49/40/455944940.db2.gz DOJGLKTUHCRGMX-HNNXBMFYSA-N 2 1 332.488 3.304 20 0 EGADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)[C@H]1C[NH3+] ZINC000261844282 455958134 /nfs/dbraw/zinc/95/81/34/455958134.db2.gz CWSOEKTZYDVCEN-ABAIWWIYSA-N 2 1 344.286 3.381 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)[C@H]1C[NH3+] ZINC000261844282 455958138 /nfs/dbraw/zinc/95/81/38/455958138.db2.gz CWSOEKTZYDVCEN-ABAIWWIYSA-N 2 1 344.286 3.381 20 0 EGADMP Fc1cccc(-c2noc([C@@H]3CCC[N@@H+](CC4CC[NH2+]CC4)C3)n2)c1 ZINC000261852897 455959427 /nfs/dbraw/zinc/95/94/27/455959427.db2.gz VQRIUJYBLDUSKC-MRXNPFEDSA-N 2 1 344.434 3.055 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Cl)c4c(c3)OCCCO4)C[C@H]21 ZINC000261897138 455967163 /nfs/dbraw/zinc/96/71/63/455967163.db2.gz OKNBIDLZULRXSO-SQWLQELKSA-N 2 1 336.863 3.061 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)c4c(c3)OCCCO4)C[C@H]21 ZINC000261897138 455967165 /nfs/dbraw/zinc/96/71/65/455967165.db2.gz OKNBIDLZULRXSO-SQWLQELKSA-N 2 1 336.863 3.061 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187962159 455973094 /nfs/dbraw/zinc/97/30/94/455973094.db2.gz SXMSZNUPSMPGGJ-FCHUYYIVSA-N 2 1 343.559 3.360 20 0 EGADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000262045696 455989703 /nfs/dbraw/zinc/98/97/03/455989703.db2.gz CGVYRQSSMCORCL-UHFFFAOYSA-N 2 1 344.286 3.253 20 0 EGADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000262096688 455996628 /nfs/dbraw/zinc/99/66/28/455996628.db2.gz DPCILXPREVTPHM-FRQCXROJSA-N 2 1 331.504 3.051 20 0 EGADMP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000262147987 456004440 /nfs/dbraw/zinc/00/44/40/456004440.db2.gz QSCVHLOKWGODSO-LLGFUMIMSA-N 2 1 345.531 3.298 20 0 EGADMP Cc1nccn1CCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272606646 456011044 /nfs/dbraw/zinc/01/10/44/456011044.db2.gz VJTPKHFJODDXBL-PWRODBHTSA-N 2 1 338.499 3.082 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272606646 456011049 /nfs/dbraw/zinc/01/10/49/456011049.db2.gz VJTPKHFJODDXBL-PWRODBHTSA-N 3 1 338.499 3.082 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272606646 456011054 /nfs/dbraw/zinc/01/10/54/456011054.db2.gz VJTPKHFJODDXBL-PWRODBHTSA-N 3 1 338.499 3.082 20 0 EGADMP CC1CCN(C(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000262652825 456051023 /nfs/dbraw/zinc/05/10/23/456051023.db2.gz JWKPYGWPHQOLGH-DOTOQJQBSA-N 2 1 334.533 3.387 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccnc1Cl ZINC000272772243 456066271 /nfs/dbraw/zinc/06/62/71/456066271.db2.gz SWUUYZMQJIBRJC-RHSMWYFYSA-N 2 1 345.874 3.152 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccnc1Cl ZINC000272772243 456066273 /nfs/dbraw/zinc/06/62/73/456066273.db2.gz SWUUYZMQJIBRJC-RHSMWYFYSA-N 2 1 345.874 3.152 20 0 EGADMP Cc1ccsc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272800958 456073119 /nfs/dbraw/zinc/07/31/19/456073119.db2.gz ZQKASVPSIUTGJN-QAPCUYQASA-N 2 1 330.497 3.474 20 0 EGADMP CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccc(F)cn1 ZINC000332474274 456081920 /nfs/dbraw/zinc/08/19/20/456081920.db2.gz NEFSKPPBXMEVAM-QGZVFWFLSA-N 2 1 343.450 3.337 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])[C@H]1c1cccs1 ZINC000263116692 456095559 /nfs/dbraw/zinc/09/55/59/456095559.db2.gz AQEILAWQQXDDJM-WXSAJPJJSA-N 2 1 349.544 3.155 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000280996604 456104783 /nfs/dbraw/zinc/10/47/83/456104783.db2.gz NHYYLHOAFJZUCY-CPUCHLNUSA-N 2 1 344.421 3.489 20 0 EGADMP C[C@@H]1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000263219959 456111472 /nfs/dbraw/zinc/11/14/72/456111472.db2.gz LSGJIHYSBLLATI-YFVAEKQCSA-N 2 1 343.515 3.017 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000263302299 456122362 /nfs/dbraw/zinc/12/23/62/456122362.db2.gz ZSPDFDHODUEHKQ-BHIYHBOVSA-N 2 1 331.504 3.093 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(F)cc3Br)C[C@H]21 ZINC000228474631 456123056 /nfs/dbraw/zinc/12/30/56/456123056.db2.gz BGMJKPVFTDEEDV-PSOPSSQASA-N 2 1 327.241 3.147 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(F)cc3Br)C[C@H]21 ZINC000228474631 456123059 /nfs/dbraw/zinc/12/30/59/456123059.db2.gz BGMJKPVFTDEEDV-PSOPSSQASA-N 2 1 327.241 3.147 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000273042441 456157013 /nfs/dbraw/zinc/15/70/13/456157013.db2.gz VKSNSNAMGMNUBH-HXUWFJFHSA-N 2 1 331.504 3.038 20 0 EGADMP CCCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236821792 456188155 /nfs/dbraw/zinc/18/81/55/456188155.db2.gz MSUHQBQLHJGVLA-APWZRJJASA-N 2 1 331.504 3.052 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c2nccn21 ZINC000297351956 456194983 /nfs/dbraw/zinc/19/49/83/456194983.db2.gz PDRXEAXUXXDGKT-BEFAXECRSA-N 2 1 340.471 3.152 20 0 EGADMP C[C@H](NCc1ncccc1N(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289966758 456198745 /nfs/dbraw/zinc/19/87/45/456198745.db2.gz XEQFXEKMJMDEPC-PKOBYXMFSA-N 2 1 338.499 3.148 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccc(CNc3nc(N(C)C)cc[nH+]3)cc2)C1 ZINC000301739376 456202143 /nfs/dbraw/zinc/20/21/43/456202143.db2.gz SVNCHSBTDKRNLF-MRXNPFEDSA-N 2 1 339.487 3.387 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3nc(N(C)C)cc[nH+]3)cc2)C1 ZINC000301739376 456202150 /nfs/dbraw/zinc/20/21/50/456202150.db2.gz SVNCHSBTDKRNLF-MRXNPFEDSA-N 2 1 339.487 3.387 20 0 EGADMP C[C@@H](C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)C[NH+]1CCCCC1 ZINC000189055823 456213303 /nfs/dbraw/zinc/21/33/03/456213303.db2.gz BYLYJEQXWQVFRU-KRWDZBQOSA-N 2 1 344.478 3.282 20 0 EGADMP COc1ncccc1CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290028972 456220322 /nfs/dbraw/zinc/22/03/22/456220322.db2.gz CSWZEBMUBZUBQQ-YLJYHZDGSA-N 2 1 339.483 3.133 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1CCCCC1 ZINC000237151845 456238905 /nfs/dbraw/zinc/23/89/05/456238905.db2.gz XQFBHFUZIZLEFA-LJQANCHMSA-N 2 1 345.531 3.441 20 0 EGADMP C[C@@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000290157349 456254934 /nfs/dbraw/zinc/25/49/34/456254934.db2.gz LQZVSMDPXSQLAW-MJGOQNOKSA-N 2 1 326.488 3.373 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000290157349 456254941 /nfs/dbraw/zinc/25/49/41/456254941.db2.gz LQZVSMDPXSQLAW-MJGOQNOKSA-N 2 1 326.488 3.373 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000290157349 456254945 /nfs/dbraw/zinc/25/49/45/456254945.db2.gz LQZVSMDPXSQLAW-MJGOQNOKSA-N 2 1 326.488 3.373 20 0 EGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC12CCCC2 ZINC000189217643 456257208 /nfs/dbraw/zinc/25/72/08/456257208.db2.gz CDDWWRIFZWHSCO-WOJBJXKFSA-N 2 1 328.500 3.456 20 0 EGADMP Fc1ccc(-c2noc(CCC[NH2+]C3CC[NH+](C4CC4)CC3)n2)cc1 ZINC000297636910 456268614 /nfs/dbraw/zinc/26/86/14/456268614.db2.gz MIVQRDOSSKGDFU-UHFFFAOYSA-N 2 1 344.434 3.025 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1O ZINC000297666558 456273580 /nfs/dbraw/zinc/27/35/80/456273580.db2.gz JXXKVINLKRKSHE-AEFFLSMTSA-N 2 1 330.472 3.240 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1O ZINC000297666558 456273582 /nfs/dbraw/zinc/27/35/82/456273582.db2.gz JXXKVINLKRKSHE-AEFFLSMTSA-N 2 1 330.472 3.240 20 0 EGADMP CCOc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1O ZINC000297666558 456273584 /nfs/dbraw/zinc/27/35/84/456273584.db2.gz JXXKVINLKRKSHE-AEFFLSMTSA-N 2 1 330.472 3.240 20 0 EGADMP CCOc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1O ZINC000297666558 456273586 /nfs/dbraw/zinc/27/35/86/456273586.db2.gz JXXKVINLKRKSHE-AEFFLSMTSA-N 2 1 330.472 3.240 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c(Cl)nc4ccccn43)C2)CC1 ZINC000290294952 456282676 /nfs/dbraw/zinc/28/26/76/456282676.db2.gz ARGBDVRBZOTXDB-OAHLLOKOSA-N 2 1 332.879 3.151 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)c(Br)c1 ZINC000290402184 456317726 /nfs/dbraw/zinc/31/77/26/456317726.db2.gz JMQJJKIYJYTGNV-ABAIWWIYSA-N 2 1 329.257 3.360 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(F)c(Br)c1 ZINC000290402184 456317733 /nfs/dbraw/zinc/31/77/33/456317733.db2.gz JMQJJKIYJYTGNV-ABAIWWIYSA-N 2 1 329.257 3.360 20 0 EGADMP CN(C)[C@H](CN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccco1 ZINC000340178939 456294202 /nfs/dbraw/zinc/29/42/02/456294202.db2.gz SRSQAOYYPUFDDK-IPMKNSEASA-N 2 1 327.472 3.307 20 0 EGADMP CN(C)[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccco1 ZINC000340178939 456294207 /nfs/dbraw/zinc/29/42/07/456294207.db2.gz SRSQAOYYPUFDDK-IPMKNSEASA-N 2 1 327.472 3.307 20 0 EGADMP CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccco1 ZINC000340178938 456294866 /nfs/dbraw/zinc/29/48/66/456294866.db2.gz SRSQAOYYPUFDDK-GUDVDZBRSA-N 2 1 327.472 3.307 20 0 EGADMP CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccco1 ZINC000340178938 456294869 /nfs/dbraw/zinc/29/48/69/456294869.db2.gz SRSQAOYYPUFDDK-GUDVDZBRSA-N 2 1 327.472 3.307 20 0 EGADMP COc1ccccc1C1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352779439 456298640 /nfs/dbraw/zinc/29/86/40/456298640.db2.gz LPQJWXJHGLIWMW-UHFFFAOYSA-N 2 1 331.485 3.035 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccnn3-c3ccc(F)cc3)C2)CC1 ZINC000290354488 456302616 /nfs/dbraw/zinc/30/26/16/456302616.db2.gz GIXDSLSSCQUKEM-KRWDZBQOSA-N 2 1 342.462 3.175 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(F)c(Br)c1 ZINC000290402184 456317731 /nfs/dbraw/zinc/31/77/31/456317731.db2.gz JMQJJKIYJYTGNV-ABAIWWIYSA-N 2 1 329.257 3.360 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)c(Br)c1 ZINC000290402184 456317721 /nfs/dbraw/zinc/31/77/21/456317721.db2.gz JMQJJKIYJYTGNV-ABAIWWIYSA-N 2 1 329.257 3.360 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(Br)c1Cl ZINC000631179413 461616906 /nfs/dbraw/zinc/61/69/06/461616906.db2.gz BUAVQHJMFRIDID-UHFFFAOYSA-N 2 1 328.641 3.168 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(Br)o3)C2)CC1 ZINC000290492858 456342751 /nfs/dbraw/zinc/34/27/51/456342751.db2.gz OSHISEKKLBAWAO-ZDUSSCGKSA-N 2 1 327.266 3.206 20 0 EGADMP CCc1cc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000302507671 456350140 /nfs/dbraw/zinc/35/01/40/456350140.db2.gz RFXBDOAUQGPXPO-OAHLLOKOSA-N 2 1 327.472 3.079 20 0 EGADMP CCc1cc(NC[C@@H](C)CN2CC[NH+](CC)CC2)c2ccccc2[nH+]1 ZINC000302669629 456370582 /nfs/dbraw/zinc/37/05/82/456370582.db2.gz NNEXOQBMDAIYMK-QGZVFWFLSA-N 2 1 340.515 3.483 20 0 EGADMP C[N@@H+](Cc1c(F)ccc(O)c1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000352884744 456388922 /nfs/dbraw/zinc/38/89/22/456388922.db2.gz NAPGIEWQBYXTMS-UHFFFAOYSA-N 2 1 347.409 3.414 20 0 EGADMP C[N@H+](Cc1c(F)ccc(O)c1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000352884744 456388931 /nfs/dbraw/zinc/38/89/31/456388931.db2.gz NAPGIEWQBYXTMS-UHFFFAOYSA-N 2 1 347.409 3.414 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000347839375 456396436 /nfs/dbraw/zinc/39/64/36/456396436.db2.gz CAIXDUCFOFQSGR-QZTJIDSGSA-N 2 1 341.499 3.423 20 0 EGADMP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000337592386 456406899 /nfs/dbraw/zinc/40/68/99/456406899.db2.gz ICJYBBLMUSXKQI-HXUWFJFHSA-N 2 1 345.531 3.230 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Br)nc1 ZINC000290743722 456418220 /nfs/dbraw/zinc/41/82/20/456418220.db2.gz QGMJSHCRIVZPTA-IACUBPJLSA-N 2 1 326.282 3.368 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)c1OC ZINC000347904533 456425289 /nfs/dbraw/zinc/42/52/89/456425289.db2.gz BNBWTNWIEYMQCD-HKUYNNGSSA-N 2 1 344.499 3.461 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)Nc1ccccc1F ZINC000298353715 456433733 /nfs/dbraw/zinc/43/37/33/456433733.db2.gz BYUJJJKEJWLZIH-UHFFFAOYSA-N 2 1 346.450 3.325 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)Nc1ccccc1F ZINC000298353715 456433737 /nfs/dbraw/zinc/43/37/37/456433737.db2.gz BYUJJJKEJWLZIH-UHFFFAOYSA-N 2 1 346.450 3.325 20 0 EGADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(Cl)o2)[C@@H](c2ccccc2)C1 ZINC000340401190 456438965 /nfs/dbraw/zinc/43/89/65/456438965.db2.gz SCZRCYBMFHMIKG-GOSISDBHSA-N 2 1 347.890 3.401 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000303240875 456453283 /nfs/dbraw/zinc/45/32/83/456453283.db2.gz JOGBCOHQMNIEQH-AZUAARDMSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(C)ccc1OC ZINC000282369763 456491462 /nfs/dbraw/zinc/49/14/62/456491462.db2.gz QFKUJPPKAWPKPI-SFHVURJKSA-N 2 1 333.520 3.070 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]Cc2c(Cl)cccc2Cl)CC1(C)C ZINC000282372093 456493890 /nfs/dbraw/zinc/49/38/90/456493890.db2.gz NYCBCJGAQRPQCY-UHFFFAOYSA-N 2 1 330.303 3.109 20 0 EGADMP CC1(C)CC[C@H](C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000310274858 456581308 /nfs/dbraw/zinc/58/13/08/456581308.db2.gz OGXAUJOJHJMBQD-HSALFYBXSA-N 2 1 328.500 3.398 20 0 EGADMP CC1(C)CC[C@H](C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000310274858 456581314 /nfs/dbraw/zinc/58/13/14/456581314.db2.gz OGXAUJOJHJMBQD-HSALFYBXSA-N 2 1 328.500 3.398 20 0 EGADMP CC1(C)CC[C@H](C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000310274858 456581319 /nfs/dbraw/zinc/58/13/19/456581319.db2.gz OGXAUJOJHJMBQD-HSALFYBXSA-N 2 1 328.500 3.398 20 0 EGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000282772052 456621159 /nfs/dbraw/zinc/62/11/59/456621159.db2.gz WZKNSZPYWJVLSL-UHFFFAOYSA-N 2 1 341.503 3.237 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[NH+](C)[C@H]2C)cc1 ZINC000343445059 456625646 /nfs/dbraw/zinc/62/56/46/456625646.db2.gz NQFXJXWTUDSQFZ-QFBILLFUSA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000343445059 456625657 /nfs/dbraw/zinc/62/56/57/456625657.db2.gz NQFXJXWTUDSQFZ-QFBILLFUSA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000343445059 456625661 /nfs/dbraw/zinc/62/56/61/456625661.db2.gz NQFXJXWTUDSQFZ-QFBILLFUSA-N 2 1 331.504 3.131 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)CC1 ZINC000282850299 456645392 /nfs/dbraw/zinc/64/53/92/456645392.db2.gz BEZRUNLKPSCRAV-IRLDBZIGSA-N 2 1 343.559 3.356 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(-c2cnn(C)c2)c1 ZINC000282859385 456647582 /nfs/dbraw/zinc/64/75/82/456647582.db2.gz ULVIUHQJVRVMML-IBGZPJMESA-N 2 1 326.488 3.312 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC)cc1 ZINC000338193091 456697470 /nfs/dbraw/zinc/69/74/70/456697470.db2.gz VCXHABYTPDUXGJ-IBGZPJMESA-N 2 1 331.504 3.133 20 0 EGADMP CSCc1cnc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000353511291 456724848 /nfs/dbraw/zinc/72/48/48/456724848.db2.gz AVUPAEAHMSQOBO-CQSZACIVSA-N 2 1 325.547 3.170 20 0 EGADMP CSCc1cnc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000353511291 456724852 /nfs/dbraw/zinc/72/48/52/456724852.db2.gz AVUPAEAHMSQOBO-CQSZACIVSA-N 2 1 325.547 3.170 20 0 EGADMP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000353535146 456740172 /nfs/dbraw/zinc/74/01/72/456740172.db2.gz VHZNRWYGONXJRY-PBEJRMEISA-N 2 1 339.483 3.446 20 0 EGADMP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000353535146 456740176 /nfs/dbraw/zinc/74/01/76/456740176.db2.gz VHZNRWYGONXJRY-PBEJRMEISA-N 2 1 339.483 3.446 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000299609892 456743457 /nfs/dbraw/zinc/74/34/57/456743457.db2.gz OEBFGESQZUSODT-UHFFFAOYSA-N 2 1 343.515 3.275 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)cc1)C(C)C ZINC000299621767 456747145 /nfs/dbraw/zinc/74/71/45/456747145.db2.gz DWYLWHJGEBGZLY-PMACEKPBSA-N 2 1 343.515 3.274 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1)C(C)C ZINC000299621767 456747150 /nfs/dbraw/zinc/74/71/50/456747150.db2.gz DWYLWHJGEBGZLY-PMACEKPBSA-N 2 1 343.515 3.274 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1)C(C)C ZINC000299621767 456747156 /nfs/dbraw/zinc/74/71/56/456747156.db2.gz DWYLWHJGEBGZLY-PMACEKPBSA-N 2 1 343.515 3.274 20 0 EGADMP C[C@H]1C[N@H+]([C@H]2CCCc3ccccc32)CCN1C1CC[NH+](C)CC1 ZINC000343723157 456769280 /nfs/dbraw/zinc/76/92/80/456769280.db2.gz MYTPRMHOTCTETO-UWJYYQICSA-N 2 1 327.516 3.164 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000277313281 456773975 /nfs/dbraw/zinc/77/39/75/456773975.db2.gz USKYLZYDITUHCU-IAGOWNOFSA-N 2 1 344.421 3.025 20 0 EGADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)CC(C)C ZINC000338391906 456790199 /nfs/dbraw/zinc/79/01/99/456790199.db2.gz KLMNUBSBFSWRDS-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000291969392 456815047 /nfs/dbraw/zinc/81/50/47/456815047.db2.gz RYXNYDIPMPWCJQ-DJIMGWMZSA-N 2 1 342.405 3.155 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000291969392 456815052 /nfs/dbraw/zinc/81/50/52/456815052.db2.gz RYXNYDIPMPWCJQ-DJIMGWMZSA-N 2 1 342.405 3.155 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCOC4(CCC4)C3)sc2C1 ZINC000344331790 456816404 /nfs/dbraw/zinc/81/64/04/456816404.db2.gz BEYMFWAXQAGRMP-CQSZACIVSA-N 2 1 335.517 3.101 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCOC4(CCC4)C3)sc2C1 ZINC000344331790 456816407 /nfs/dbraw/zinc/81/64/07/456816407.db2.gz BEYMFWAXQAGRMP-CQSZACIVSA-N 2 1 335.517 3.101 20 0 EGADMP Cc1ncc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000353647367 456827656 /nfs/dbraw/zinc/82/76/56/456827656.db2.gz ROLXJOKEQOZKRQ-UHFFFAOYSA-N 2 1 336.483 3.273 20 0 EGADMP CCOC(=O)c1coc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000353656162 456834070 /nfs/dbraw/zinc/83/40/70/456834070.db2.gz CTVLEPALPCGIKD-HNNXBMFYSA-N 2 1 343.427 3.094 20 0 EGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338627100 456845231 /nfs/dbraw/zinc/84/52/31/456845231.db2.gz LRYMQASHWOLGEQ-IBGZPJMESA-N 2 1 343.515 3.133 20 0 EGADMP C[N@H+]1CC[C@]2(CCN(Cc3ccc(OCC(F)(F)F)cc3)C2)C1 ZINC000292123022 456861704 /nfs/dbraw/zinc/86/17/04/456861704.db2.gz KJKJUOLBIVNLCU-INIZCTEOSA-N 2 1 328.378 3.155 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(OCC(F)(F)F)cc3)C2)C1 ZINC000292123022 456861713 /nfs/dbraw/zinc/86/17/13/456861713.db2.gz KJKJUOLBIVNLCU-INIZCTEOSA-N 2 1 328.378 3.155 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)C2)C1 ZINC000292123022 456861718 /nfs/dbraw/zinc/86/17/18/456861718.db2.gz KJKJUOLBIVNLCU-INIZCTEOSA-N 2 1 328.378 3.155 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC[C@H]2CCC[NH2+]2)cc1 ZINC000292196514 456881777 /nfs/dbraw/zinc/88/17/77/456881777.db2.gz XWVFTLQZQRTIQA-FXAWDEMLSA-N 2 1 343.515 3.209 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(OC)c(OC)c2)C[C@H]1C ZINC000353748282 456887424 /nfs/dbraw/zinc/88/74/24/456887424.db2.gz HIQJQRZRXRYTAX-GDBMZVCRSA-N 2 1 336.476 3.017 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(OC)c(OC)c2)C[C@H]1C ZINC000353748282 456887428 /nfs/dbraw/zinc/88/74/28/456887428.db2.gz HIQJQRZRXRYTAX-GDBMZVCRSA-N 2 1 336.476 3.017 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(OC)c(OC)c2)C[C@H]1C ZINC000353748282 456887429 /nfs/dbraw/zinc/88/74/29/456887429.db2.gz HIQJQRZRXRYTAX-GDBMZVCRSA-N 2 1 336.476 3.017 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(OC)c(OC)c2)C[C@H]1C ZINC000353748282 456887430 /nfs/dbraw/zinc/88/74/30/456887430.db2.gz HIQJQRZRXRYTAX-GDBMZVCRSA-N 2 1 336.476 3.017 20 0 EGADMP COC(=O)C[C@H]1CCC[N@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000353749494 456887573 /nfs/dbraw/zinc/88/75/73/456887573.db2.gz UAGCSNUPVXSHLK-GOSISDBHSA-N 2 1 332.488 3.172 20 0 EGADMP COC(=O)C[C@H]1CCC[NH+]1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000353749494 456887576 /nfs/dbraw/zinc/88/75/76/456887576.db2.gz UAGCSNUPVXSHLK-GOSISDBHSA-N 2 1 332.488 3.172 20 0 EGADMP COC(=O)C[C@H]1CCC[NH+]1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000353749494 456887578 /nfs/dbraw/zinc/88/75/78/456887578.db2.gz UAGCSNUPVXSHLK-GOSISDBHSA-N 2 1 332.488 3.172 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnn(-c4ccc(F)cc4)c3)C2)CC1 ZINC000349198300 456910834 /nfs/dbraw/zinc/91/08/34/456910834.db2.gz WSSSVZCNTHHGEG-GOSISDBHSA-N 2 1 342.462 3.175 20 0 EGADMP C[C@H]1CCc2nc(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)sc2C1 ZINC000349199079 456911246 /nfs/dbraw/zinc/91/12/46/456911246.db2.gz XYWBMGVCGAIWLY-HOCLYGCPSA-N 2 1 333.545 3.432 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2cccc(C)n2)[C@@H](C)C1 ZINC000353864821 456941388 /nfs/dbraw/zinc/94/13/88/456941388.db2.gz JXGZOWJNYZWKMV-PXNSSMCTSA-N 2 1 333.520 3.049 20 0 EGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2[nH+]cnc3[nH]ccc32)cc1 ZINC000339132542 456956262 /nfs/dbraw/zinc/95/62/62/456956262.db2.gz QMRLVJUEHDBIFJ-HNNXBMFYSA-N 2 1 335.455 3.366 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2[nH+]cnc3[nH]ccc32)cc1 ZINC000339132542 456956263 /nfs/dbraw/zinc/95/62/63/456956263.db2.gz QMRLVJUEHDBIFJ-HNNXBMFYSA-N 2 1 335.455 3.366 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(-n3nc(C)cc3C)cc2)[C@@H](C)C1 ZINC000345205327 456966300 /nfs/dbraw/zinc/96/63/00/456966300.db2.gz KACZCSNXUVPUQZ-KKSFZXQISA-N 2 1 340.515 3.352 20 0 EGADMP Cn1ccc([C@@H]([NH2+]CC2CC[NH+](C)CC2)c2ccc(Cl)cc2)n1 ZINC000349443896 456969059 /nfs/dbraw/zinc/96/90/59/456969059.db2.gz AUYBAYHFORLHIX-SFHVURJKSA-N 2 1 332.879 3.094 20 0 EGADMP Cn1ccc([C@H]([NH2+]CC2CC[NH+](C)CC2)c2ccc(Cl)cc2)n1 ZINC000349443789 456969183 /nfs/dbraw/zinc/96/91/83/456969183.db2.gz AUYBAYHFORLHIX-GOSISDBHSA-N 2 1 332.879 3.094 20 0 EGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000341880678 456984811 /nfs/dbraw/zinc/98/48/11/456984811.db2.gz GVRPHUJMOFTGDU-UHFFFAOYSA-N 2 1 338.377 3.289 20 0 EGADMP COCc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000356535210 457042091 /nfs/dbraw/zinc/04/20/91/457042091.db2.gz WZFYFPGVQFKILX-MOPGFXCFSA-N 2 1 340.467 3.380 20 0 EGADMP COCc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000356535210 457042094 /nfs/dbraw/zinc/04/20/94/457042094.db2.gz WZFYFPGVQFKILX-MOPGFXCFSA-N 2 1 340.467 3.380 20 0 EGADMP COCc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000356535210 457042096 /nfs/dbraw/zinc/04/20/96/457042096.db2.gz WZFYFPGVQFKILX-MOPGFXCFSA-N 2 1 340.467 3.380 20 0 EGADMP COCc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000356535210 457042097 /nfs/dbraw/zinc/04/20/97/457042097.db2.gz WZFYFPGVQFKILX-MOPGFXCFSA-N 2 1 340.467 3.380 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362701173 457051936 /nfs/dbraw/zinc/05/19/36/457051936.db2.gz FJMDXPYIQZADMO-DBVUQKKJSA-N 2 1 333.495 3.235 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000362711401 457055601 /nfs/dbraw/zinc/05/56/01/457055601.db2.gz KQBCAXPWKRMSHG-VQIMIIECSA-N 2 1 329.488 3.199 20 0 EGADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000359102434 457056194 /nfs/dbraw/zinc/05/61/94/457056194.db2.gz GKUJTQLDPGLQQO-DYXWJJEUSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000359102434 457056198 /nfs/dbraw/zinc/05/61/98/457056198.db2.gz GKUJTQLDPGLQQO-DYXWJJEUSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000359102434 457056201 /nfs/dbraw/zinc/05/62/01/457056201.db2.gz GKUJTQLDPGLQQO-DYXWJJEUSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000359102434 457056203 /nfs/dbraw/zinc/05/62/03/457056203.db2.gz GKUJTQLDPGLQQO-DYXWJJEUSA-N 3 1 329.532 3.361 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000362722566 457062213 /nfs/dbraw/zinc/06/22/13/457062213.db2.gz GEZRTUBZDAOIKC-SFHVURJKSA-N 2 1 331.504 3.133 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N(C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000356584737 457069062 /nfs/dbraw/zinc/06/90/62/457069062.db2.gz IQTIXEKPKIDGLJ-LJQANCHMSA-N 2 1 331.504 3.011 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346642564 457086581 /nfs/dbraw/zinc/08/65/81/457086581.db2.gz MOESXAZAFAUCMT-IBGZPJMESA-N 2 1 332.467 3.433 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346642564 457086590 /nfs/dbraw/zinc/08/65/90/457086590.db2.gz MOESXAZAFAUCMT-IBGZPJMESA-N 2 1 332.467 3.433 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000339390792 457087443 /nfs/dbraw/zinc/08/74/43/457087443.db2.gz HPDHZDCVCWPHTC-VQTJNVASSA-N 2 1 345.531 3.134 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[NH+](C)Cc1ccccc1 ZINC000339390792 457087445 /nfs/dbraw/zinc/08/74/45/457087445.db2.gz HPDHZDCVCWPHTC-VQTJNVASSA-N 2 1 345.531 3.134 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[NH+](C)Cc1ccccc1 ZINC000339390792 457087449 /nfs/dbraw/zinc/08/74/49/457087449.db2.gz HPDHZDCVCWPHTC-VQTJNVASSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)OCC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000349909704 457104380 /nfs/dbraw/zinc/10/43/80/457104380.db2.gz LJLQHKCPTJJKEF-NRSPTQNISA-N 2 1 348.531 3.147 20 0 EGADMP CC(C)OCC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000349909704 457104386 /nfs/dbraw/zinc/10/43/86/457104386.db2.gz LJLQHKCPTJJKEF-NRSPTQNISA-N 2 1 348.531 3.147 20 0 EGADMP CC(C)OCC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000349909704 457104391 /nfs/dbraw/zinc/10/43/91/457104391.db2.gz LJLQHKCPTJJKEF-NRSPTQNISA-N 2 1 348.531 3.147 20 0 EGADMP CC(C)OCC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000349909704 457104396 /nfs/dbraw/zinc/10/43/96/457104396.db2.gz LJLQHKCPTJJKEF-NRSPTQNISA-N 2 1 348.531 3.147 20 0 EGADMP COc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000342094325 457104525 /nfs/dbraw/zinc/10/45/25/457104525.db2.gz FQMJPISMJRJQAY-BMGDILEWSA-N 2 1 343.496 3.378 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000342094325 457104527 /nfs/dbraw/zinc/10/45/27/457104527.db2.gz FQMJPISMJRJQAY-BMGDILEWSA-N 2 1 343.496 3.378 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cc1 ZINC000339431993 457114326 /nfs/dbraw/zinc/11/43/26/457114326.db2.gz KPXDUFBVMAQMDE-LJQANCHMSA-N 2 1 329.488 3.484 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3coc(-c4ccc(F)c(F)c4)n3)C[C@H]21 ZINC000342115582 457116249 /nfs/dbraw/zinc/11/62/49/457116249.db2.gz XUYSDJQDEQNRDB-DXCKQFNASA-N 2 1 333.382 3.179 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3coc(-c4ccc(F)c(F)c4)n3)C[C@H]21 ZINC000342115582 457116260 /nfs/dbraw/zinc/11/62/60/457116260.db2.gz XUYSDJQDEQNRDB-DXCKQFNASA-N 2 1 333.382 3.179 20 0 EGADMP COCC1(CC[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCC1 ZINC000339444645 457122594 /nfs/dbraw/zinc/12/25/94/457122594.db2.gz LYCXTNAETYULPG-UHFFFAOYSA-N 2 1 337.533 3.206 20 0 EGADMP COCC1(CC[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCC1 ZINC000339444645 457122600 /nfs/dbraw/zinc/12/26/00/457122600.db2.gz LYCXTNAETYULPG-UHFFFAOYSA-N 2 1 337.533 3.206 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC[N@@H+]1C ZINC000350050944 457155697 /nfs/dbraw/zinc/15/56/97/457155697.db2.gz SSAHEWQMSXVXIQ-WCQYABFASA-N 2 1 334.357 3.339 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC[N@H+]1C ZINC000350050944 457155701 /nfs/dbraw/zinc/15/57/01/457155701.db2.gz SSAHEWQMSXVXIQ-WCQYABFASA-N 2 1 334.357 3.339 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000356773475 457160478 /nfs/dbraw/zinc/16/04/78/457160478.db2.gz LSLLTOMYBKKPRG-VQIMIIECSA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000356773475 457160484 /nfs/dbraw/zinc/16/04/84/457160484.db2.gz LSLLTOMYBKKPRG-VQIMIIECSA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000356773475 457160489 /nfs/dbraw/zinc/16/04/89/457160489.db2.gz LSLLTOMYBKKPRG-VQIMIIECSA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000356773475 457160494 /nfs/dbraw/zinc/16/04/94/457160494.db2.gz LSLLTOMYBKKPRG-VQIMIIECSA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000356773475 457160498 /nfs/dbraw/zinc/16/04/98/457160498.db2.gz LSLLTOMYBKKPRG-VQIMIIECSA-N 2 1 349.494 3.025 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccnc(OCc2ccccc2)c1 ZINC000359939616 457160650 /nfs/dbraw/zinc/16/06/50/457160650.db2.gz CTYGCEONPHTTCZ-VQIMIIECSA-N 2 1 325.456 3.090 20 0 EGADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000359939616 457160656 /nfs/dbraw/zinc/16/06/56/457160656.db2.gz CTYGCEONPHTTCZ-VQIMIIECSA-N 2 1 325.456 3.090 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000359939616 457160666 /nfs/dbraw/zinc/16/06/66/457160666.db2.gz CTYGCEONPHTTCZ-VQIMIIECSA-N 2 1 325.456 3.090 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000359939616 457160669 /nfs/dbraw/zinc/16/06/69/457160669.db2.gz CTYGCEONPHTTCZ-VQIMIIECSA-N 2 1 325.456 3.090 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000359950764 457166520 /nfs/dbraw/zinc/16/65/20/457166520.db2.gz UVOIKXJJYQNXIC-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000359950764 457166528 /nfs/dbraw/zinc/16/65/28/457166528.db2.gz UVOIKXJJYQNXIC-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000359950764 457166534 /nfs/dbraw/zinc/16/65/34/457166534.db2.gz UVOIKXJJYQNXIC-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000359950764 457166538 /nfs/dbraw/zinc/16/65/38/457166538.db2.gz UVOIKXJJYQNXIC-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000359950764 457166543 /nfs/dbraw/zinc/16/65/43/457166543.db2.gz UVOIKXJJYQNXIC-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346825171 457179033 /nfs/dbraw/zinc/17/90/33/457179033.db2.gz ATYFEWGYCMFJSX-MORSLUCNSA-N 2 1 330.863 3.003 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OCCC(C)C ZINC000346842442 457182309 /nfs/dbraw/zinc/18/23/09/457182309.db2.gz HUZLUQIXBFRRHX-BZSNNMDCSA-N 2 1 332.488 3.289 20 0 EGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H](CC(N)=O)c2ccccc2)CC1 ZINC000354370956 457186489 /nfs/dbraw/zinc/18/64/89/457186489.db2.gz KLKHGMPAYAIKIJ-NSISKUIASA-N 2 1 343.515 3.236 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000347039003 457196935 /nfs/dbraw/zinc/19/69/35/457196935.db2.gz ZLMCYOBMPFEYOV-ZWKOTPCHSA-N 2 1 345.531 3.276 20 0 EGADMP C[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000356900710 457207198 /nfs/dbraw/zinc/20/71/98/457207198.db2.gz PCDFDUXGENMBGW-GJZGRUSLSA-N 2 1 335.458 3.113 20 0 EGADMP C[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000356900710 457207203 /nfs/dbraw/zinc/20/72/03/457207203.db2.gz PCDFDUXGENMBGW-GJZGRUSLSA-N 2 1 335.458 3.113 20 0 EGADMP Cc1ccc(C(=O)CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000360059285 457231439 /nfs/dbraw/zinc/23/14/39/457231439.db2.gz ZZOXWRXNLIRFPA-UHFFFAOYSA-N 2 1 344.499 3.002 20 0 EGADMP Cc1cc(C)n(CC[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000357005686 457270813 /nfs/dbraw/zinc/27/08/13/457270813.db2.gz AVIYVEPHLXUGDY-SFHVURJKSA-N 2 1 332.536 3.476 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC[C@H]1CCCC[NH+]1C ZINC000357032382 457288376 /nfs/dbraw/zinc/28/83/76/457288376.db2.gz DPADCVWVZKIXER-HXUWFJFHSA-N 3 1 344.547 3.494 20 0 EGADMP C[NH+](CCC1CCN(c2cc[nH+]cc2)CC1)CC[C@H]1CCCC[N@@H+]1C ZINC000357032382 457288386 /nfs/dbraw/zinc/28/83/86/457288386.db2.gz DPADCVWVZKIXER-HXUWFJFHSA-N 3 1 344.547 3.494 20 0 EGADMP C[NH+](CCC1CCN(c2cc[nH+]cc2)CC1)CC[C@H]1CCCC[N@H+]1C ZINC000357032382 457288394 /nfs/dbraw/zinc/28/83/94/457288394.db2.gz DPADCVWVZKIXER-HXUWFJFHSA-N 3 1 344.547 3.494 20 0 EGADMP CN1CCCC[C@@H]1CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000357032382 457288398 /nfs/dbraw/zinc/28/83/98/457288398.db2.gz DPADCVWVZKIXER-HXUWFJFHSA-N 2 1 344.547 3.494 20 0 EGADMP CN1CCCC[C@@H]1CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000357032382 457288404 /nfs/dbraw/zinc/28/84/04/457288404.db2.gz DPADCVWVZKIXER-HXUWFJFHSA-N 2 1 344.547 3.494 20 0 EGADMP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000342422027 457294431 /nfs/dbraw/zinc/29/44/31/457294431.db2.gz YQKKWCOUNNMENV-HKUYNNGSSA-N 2 1 345.531 3.134 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N(c3ccccc3)C3CCCCC3)C[C@H]12 ZINC000351490129 457300599 /nfs/dbraw/zinc/30/05/99/457300599.db2.gz IFGWURLPWHRAGT-LSTHTHJFSA-N 2 1 341.499 3.021 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N(c3ccccc3)C3CCCCC3)C[C@H]12 ZINC000351490129 457300603 /nfs/dbraw/zinc/30/06/03/457300603.db2.gz IFGWURLPWHRAGT-LSTHTHJFSA-N 2 1 341.499 3.021 20 0 EGADMP CC(C)[C@@H]1C[NH+]([C@H](C)CC[N@H+]2CCCO[C@H](C(C)C)C2)CCCO1 ZINC000339835402 457300859 /nfs/dbraw/zinc/30/08/59/457300859.db2.gz XHKZPHGQFZEBGL-AABGKKOBSA-N 2 1 340.552 3.259 20 0 EGADMP CC(C)[C@@H]1C[NH+](CC[C@@H](C)[N@@H+]2CCCO[C@H](C(C)C)C2)CCCO1 ZINC000339835402 457300867 /nfs/dbraw/zinc/30/08/67/457300867.db2.gz XHKZPHGQFZEBGL-AABGKKOBSA-N 2 1 340.552 3.259 20 0 EGADMP CC(C)[C@@H]1C[NH+](CC[C@@H](C)[N@H+]2CCCO[C@H](C(C)C)C2)CCCO1 ZINC000339835402 457300873 /nfs/dbraw/zinc/30/08/73/457300873.db2.gz XHKZPHGQFZEBGL-AABGKKOBSA-N 2 1 340.552 3.259 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000351849193 457320221 /nfs/dbraw/zinc/32/02/21/457320221.db2.gz GELCKOBTQAVWPE-MUQADHOPSA-N 2 1 339.483 3.075 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000351849193 457320225 /nfs/dbraw/zinc/32/02/25/457320225.db2.gz GELCKOBTQAVWPE-MUQADHOPSA-N 2 1 339.483 3.075 20 0 EGADMP CCc1nc(C)cc(N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000342480306 457327047 /nfs/dbraw/zinc/32/70/47/457327047.db2.gz NKFYGFGQBIGIQV-CALCHBBNSA-N 2 1 346.519 3.063 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)[NH+](C)C[C@H]2C)cc1 ZINC000352016125 457331533 /nfs/dbraw/zinc/33/15/33/457331533.db2.gz VGANKBSYSDJASY-DLBZAZTESA-N 2 1 331.504 3.083 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000352016125 457331537 /nfs/dbraw/zinc/33/15/37/457331537.db2.gz VGANKBSYSDJASY-DLBZAZTESA-N 2 1 331.504 3.083 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000352016125 457331538 /nfs/dbraw/zinc/33/15/38/457331538.db2.gz VGANKBSYSDJASY-DLBZAZTESA-N 2 1 331.504 3.083 20 0 EGADMP Cc1ncsc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352432756 457362622 /nfs/dbraw/zinc/36/26/22/457362622.db2.gz SMKXOIVAFYDIQB-QZTJIDSGSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncsc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352432756 457362628 /nfs/dbraw/zinc/36/26/28/457362628.db2.gz SMKXOIVAFYDIQB-QZTJIDSGSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncsc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352432756 457362632 /nfs/dbraw/zinc/36/26/32/457362632.db2.gz SMKXOIVAFYDIQB-QZTJIDSGSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncsc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352432756 457362635 /nfs/dbraw/zinc/36/26/35/457362635.db2.gz SMKXOIVAFYDIQB-QZTJIDSGSA-N 2 1 327.497 3.405 20 0 EGADMP COc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000352434052 457364564 /nfs/dbraw/zinc/36/45/64/457364564.db2.gz ZJEIFFYEYXZEEH-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP COc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000352434052 457364565 /nfs/dbraw/zinc/36/45/65/457364565.db2.gz ZJEIFFYEYXZEEH-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP COc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000352434052 457364567 /nfs/dbraw/zinc/36/45/67/457364567.db2.gz ZJEIFFYEYXZEEH-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP COc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000352434052 457364568 /nfs/dbraw/zinc/36/45/68/457364568.db2.gz ZJEIFFYEYXZEEH-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C[C@H](C)c1ccccc1)[C@H](C)CO ZINC000347406950 457407639 /nfs/dbraw/zinc/40/76/39/457407639.db2.gz BMDFFEJMQXBGKA-ZWKOTPCHSA-N 2 1 329.488 3.458 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C[C@H](C)c1ccccc1)[C@H](C)CO ZINC000347406950 457407641 /nfs/dbraw/zinc/40/76/41/457407641.db2.gz BMDFFEJMQXBGKA-ZWKOTPCHSA-N 2 1 329.488 3.458 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1)C(C)C ZINC000357313399 457440132 /nfs/dbraw/zinc/44/01/32/457440132.db2.gz XEMRKEXZQMYGKI-FRQCXROJSA-N 2 1 331.504 3.033 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1 ZINC000357314272 457440159 /nfs/dbraw/zinc/44/01/59/457440159.db2.gz YROSYUXVWHQHGO-TXPKVOOTSA-N 2 1 331.504 3.035 20 0 EGADMP FC(F)(F)COc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352535678 457446486 /nfs/dbraw/zinc/44/64/86/457446486.db2.gz UHEHJGZBNUDUDF-MRXNPFEDSA-N 2 1 328.378 3.203 20 0 EGADMP FC(F)(F)COc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352535678 457446488 /nfs/dbraw/zinc/44/64/88/457446488.db2.gz UHEHJGZBNUDUDF-MRXNPFEDSA-N 2 1 328.378 3.203 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352539412 457449172 /nfs/dbraw/zinc/44/91/72/457449172.db2.gz AIUHMUWUIOQJBR-NRFANRHFSA-N 2 1 338.499 3.124 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352539412 457449176 /nfs/dbraw/zinc/44/91/76/457449176.db2.gz AIUHMUWUIOQJBR-NRFANRHFSA-N 2 1 338.499 3.124 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000360949173 457456170 /nfs/dbraw/zinc/45/61/70/457456170.db2.gz ZLEXDORQCQLBEK-KBXCAEBGSA-N 2 1 329.419 3.443 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000360949173 457456178 /nfs/dbraw/zinc/45/61/78/457456178.db2.gz ZLEXDORQCQLBEK-KBXCAEBGSA-N 2 1 329.419 3.443 20 0 EGADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374073561 457468503 /nfs/dbraw/zinc/46/85/03/457468503.db2.gz BERVVLBJHNCHKD-INIZCTEOSA-N 2 1 347.478 3.269 20 0 EGADMP C[C@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000395230773 457476548 /nfs/dbraw/zinc/47/65/48/457476548.db2.gz VRLYTEUUSZSCPS-CEWLAPEOSA-N 2 1 329.532 3.409 20 0 EGADMP C[C@@H]1C[C@@H](CC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC(C)(C)C1 ZINC000364210319 457527973 /nfs/dbraw/zinc/52/79/73/457527973.db2.gz ZGQSIPDOITWVFZ-FGTMMUONSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[C@@H](CC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC(C)(C)C1 ZINC000364210319 457527980 /nfs/dbraw/zinc/52/79/80/457527980.db2.gz ZGQSIPDOITWVFZ-FGTMMUONSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H](C(=O)OC)c2ccccc2)C[C@H]1C ZINC000425412793 457539944 /nfs/dbraw/zinc/53/99/44/457539944.db2.gz CDUQVKDGOXJIRY-NEWSRXKRSA-N 2 1 332.488 3.138 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H](C(=O)OC)c2ccccc2)C[C@H]1C ZINC000425412793 457539953 /nfs/dbraw/zinc/53/99/53/457539953.db2.gz CDUQVKDGOXJIRY-NEWSRXKRSA-N 2 1 332.488 3.138 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H](C(=O)OC)c2ccccc2)C[C@H]1C ZINC000425412793 457539967 /nfs/dbraw/zinc/53/99/67/457539967.db2.gz CDUQVKDGOXJIRY-NEWSRXKRSA-N 2 1 332.488 3.138 20 0 EGADMP COC[C@H](NCc1ncc(C[NH+](C)C)s1)c1ccc(Cl)cc1 ZINC000352709522 457549010 /nfs/dbraw/zinc/54/90/10/457549010.db2.gz CPTVRLZCWXBXDO-HNNXBMFYSA-N 2 1 339.892 3.335 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2c[nH]c3cc(F)ccc23)s1 ZINC000352740989 457574268 /nfs/dbraw/zinc/57/42/68/457574268.db2.gz BGGGISBTGDQAKR-UHFFFAOYSA-N 2 1 332.448 3.157 20 0 EGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)OC(C)(C)C ZINC000370264322 457603007 /nfs/dbraw/zinc/60/30/07/457603007.db2.gz IICPQYUORWRQJD-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP CC(C)[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000370479133 457657916 /nfs/dbraw/zinc/65/79/16/457657916.db2.gz YZFHRCLFOULDSV-BVSLBCMMSA-N 2 1 343.559 3.384 20 0 EGADMP CC(C)CC[C@@H](O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000361316678 457690811 /nfs/dbraw/zinc/69/08/11/457690811.db2.gz SXLZICBUSYMIFT-HXUWFJFHSA-N 2 1 333.520 3.417 20 0 EGADMP CC1CCC(Oc2cc(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)ccn2)CC1 ZINC000361396784 457717245 /nfs/dbraw/zinc/71/72/45/457717245.db2.gz IBWMRSBQFLDAEA-JGJLBUBWSA-N 2 1 331.504 3.469 20 0 EGADMP CC1CCC(Oc2cc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)ccn2)CC1 ZINC000361396784 457717247 /nfs/dbraw/zinc/71/72/47/457717247.db2.gz IBWMRSBQFLDAEA-JGJLBUBWSA-N 2 1 331.504 3.469 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)s1 ZINC000357871643 457719934 /nfs/dbraw/zinc/71/99/34/457719934.db2.gz IEJMBRIOFQXZOR-AWEZNQCLSA-N 2 1 339.549 3.413 20 0 EGADMP CC[C@]1(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC[NH2+]C1 ZINC000370842142 457727426 /nfs/dbraw/zinc/72/74/26/457727426.db2.gz DTWPAUDJQJFBAX-UTKZUKDTSA-N 2 1 343.515 3.067 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccnn2C)c1 ZINC000375004300 457753031 /nfs/dbraw/zinc/75/30/31/457753031.db2.gz YCDJZFLAIFUYMM-QUCCMNQESA-N 2 1 338.499 3.312 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(-c2ccnn2C)c1 ZINC000375004300 457753034 /nfs/dbraw/zinc/75/30/34/457753034.db2.gz YCDJZFLAIFUYMM-QUCCMNQESA-N 2 1 338.499 3.312 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(-c2ccnn2C)c1 ZINC000375004300 457753039 /nfs/dbraw/zinc/75/30/39/457753039.db2.gz YCDJZFLAIFUYMM-QUCCMNQESA-N 2 1 338.499 3.312 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000358059121 457760008 /nfs/dbraw/zinc/76/00/08/457760008.db2.gz HYHCJZNKBGWYIP-CZUORRHYSA-N 2 1 338.879 3.321 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000358059121 457760012 /nfs/dbraw/zinc/76/00/12/457760012.db2.gz HYHCJZNKBGWYIP-CZUORRHYSA-N 2 1 338.879 3.321 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000358077709 457771449 /nfs/dbraw/zinc/77/14/49/457771449.db2.gz ABXQPCHQBHGNHJ-OAHLLOKOSA-N 2 1 349.906 3.298 20 0 EGADMP COc1c[nH+]ccc1N1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000361531178 457774197 /nfs/dbraw/zinc/77/41/97/457774197.db2.gz PHSJKYNSCNJZGF-KRWDZBQOSA-N 2 1 345.487 3.094 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000433297844 457802021 /nfs/dbraw/zinc/80/20/21/457802021.db2.gz MQNBQFBRNOHRMU-CALCHBBNSA-N 2 1 345.531 3.235 20 0 EGADMP Cc1ccc2ncc(C[N@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cc2c1 ZINC000411245615 457839973 /nfs/dbraw/zinc/83/99/73/457839973.db2.gz PIOUFJRSCRELHQ-KRWDZBQOSA-N 2 1 341.499 3.068 20 0 EGADMP Cc1ccc2ncc(C[N@H+]3CCC[C@@H](CN4CCOCC4)C3)cc2c1 ZINC000411256021 457842457 /nfs/dbraw/zinc/84/24/57/457842457.db2.gz HPQQHEKSCFOLJI-SFHVURJKSA-N 2 1 339.483 3.087 20 0 EGADMP CC(C)C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358250018 457887704 /nfs/dbraw/zinc/88/77/04/457887704.db2.gz JBEUOAMHHPVBKK-SJORKVTESA-N 2 1 344.421 3.449 20 0 EGADMP CC(C)C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358250018 457887707 /nfs/dbraw/zinc/88/77/07/457887707.db2.gz JBEUOAMHHPVBKK-SJORKVTESA-N 2 1 344.421 3.449 20 0 EGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(SC2CCCC2)cc1 ZINC000358259042 457894081 /nfs/dbraw/zinc/89/40/81/457894081.db2.gz UDDBIZQOQGRLQW-HNAYVOBHSA-N 2 1 334.529 3.439 20 0 EGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(SC2CCCC2)cc1 ZINC000358259042 457894086 /nfs/dbraw/zinc/89/40/86/457894086.db2.gz UDDBIZQOQGRLQW-HNAYVOBHSA-N 2 1 334.529 3.439 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358264087 457897512 /nfs/dbraw/zinc/89/75/12/457897512.db2.gz YIANJVZYGUYDEQ-CVEARBPZSA-N 2 1 330.394 3.059 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358264087 457897518 /nfs/dbraw/zinc/89/75/18/457897518.db2.gz YIANJVZYGUYDEQ-CVEARBPZSA-N 2 1 330.394 3.059 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000361876272 457923014 /nfs/dbraw/zinc/92/30/14/457923014.db2.gz DOZLFCDTWAKLOF-YADHBBJMSA-N 2 1 336.479 3.209 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000361876272 457923019 /nfs/dbraw/zinc/92/30/19/457923019.db2.gz DOZLFCDTWAKLOF-YADHBBJMSA-N 2 1 336.479 3.209 20 0 EGADMP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367201451 457934319 /nfs/dbraw/zinc/93/43/19/457934319.db2.gz SOOHADLVJVHLKF-QGZVFWFLSA-N 2 1 339.487 3.136 20 0 EGADMP Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000361891791 457934627 /nfs/dbraw/zinc/93/46/27/457934627.db2.gz YNGFMNDUXQFKQD-YTQUADARSA-N 2 1 328.456 3.122 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2c(C)noc2C)[C@H](C)C1 ZINC000358341376 457945222 /nfs/dbraw/zinc/94/52/22/457945222.db2.gz NGPGXFABZGONAA-DAYGRLMNSA-N 2 1 337.508 3.122 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+](C)C[C@@H]3CC[NH+](C)C3)cc2)cs1 ZINC000434186414 457958284 /nfs/dbraw/zinc/95/82/84/457958284.db2.gz IIRZNHZEMBVVNG-QGZVFWFLSA-N 2 1 345.512 3.414 20 0 EGADMP Cc1nc(COc2ccc(C[NH+](C)C[C@@H]3CC[N@H+](C)C3)cc2)cs1 ZINC000434186414 457958292 /nfs/dbraw/zinc/95/82/92/457958292.db2.gz IIRZNHZEMBVVNG-QGZVFWFLSA-N 2 1 345.512 3.414 20 0 EGADMP Cc1nc(COc2ccc(C[NH+](C)C[C@@H]3CC[N@@H+](C)C3)cc2)cs1 ZINC000434186414 457958297 /nfs/dbraw/zinc/95/82/97/457958297.db2.gz IIRZNHZEMBVVNG-QGZVFWFLSA-N 2 1 345.512 3.414 20 0 EGADMP COC[C@@]1(C)CC[NH+](CCC(C)CC[N@@H+]2CC[C@](C)(COC)C2)C1 ZINC000411773450 457975829 /nfs/dbraw/zinc/97/58/29/457975829.db2.gz LWNJMBFJYFCNNO-PMACEKPBSA-N 2 1 340.552 3.120 20 0 EGADMP Cn1ncc2c1CCC[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000411852878 457992692 /nfs/dbraw/zinc/99/26/92/457992692.db2.gz MSISTAMISZEVME-UHFFFAOYSA-N 2 1 338.499 3.354 20 0 EGADMP c1ccc(C(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c2ccccc2)cc1 ZINC000428029880 458068359 /nfs/dbraw/zinc/06/83/59/458068359.db2.gz HARUPTLNZHKMJL-LEWJYISDSA-N 2 1 336.479 3.476 20 0 EGADMP c1ccc(C(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c2ccccc2)cc1 ZINC000428029880 458068365 /nfs/dbraw/zinc/06/83/65/458068365.db2.gz HARUPTLNZHKMJL-LEWJYISDSA-N 2 1 336.479 3.476 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC[N@H+]1C ZINC000412133721 458102348 /nfs/dbraw/zinc/10/23/48/458102348.db2.gz RFILUYWTNBLABY-YLJYHZDGSA-N 2 1 343.515 3.227 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCCc3ccc(Cl)cc3)C2)CC1 ZINC000375903587 458116788 /nfs/dbraw/zinc/11/67/88/458116788.db2.gz IFZSZEGPCIPLRH-FQEVSTJZSA-N 2 1 349.950 3.373 20 0 EGADMP COc1cc(OC)cc(Oc2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c1 ZINC000435371130 458122170 /nfs/dbraw/zinc/12/21/70/458122170.db2.gz LFGYUWXOZBVECN-UHFFFAOYSA-N 2 1 342.439 3.419 20 0 EGADMP Cc1nc(COc2ccc(C[N@H+]3CCC[C@H](C[NH3+])C3)cc2)cs1 ZINC000435371653 458123000 /nfs/dbraw/zinc/12/30/00/458123000.db2.gz WCOIKLSJPAYYPZ-MRXNPFEDSA-N 2 1 331.485 3.201 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000435373869 458123968 /nfs/dbraw/zinc/12/39/68/458123968.db2.gz VVZMTUKFIBHUPY-XIKOKIGWSA-N 2 1 332.879 3.312 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000435373869 458123973 /nfs/dbraw/zinc/12/39/73/458123973.db2.gz VVZMTUKFIBHUPY-XIKOKIGWSA-N 2 1 332.879 3.312 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[C@H]1[NH3+] ZINC000435379723 458128936 /nfs/dbraw/zinc/12/89/36/458128936.db2.gz KJVLWCNWPQFCSM-IUODEOHRSA-N 2 1 338.377 3.060 20 0 EGADMP C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[C@@H]1[NH3+] ZINC000435381444 458130045 /nfs/dbraw/zinc/13/00/45/458130045.db2.gz TYUZEPNUCAREIP-JXFKEZNVSA-N 2 1 347.466 3.103 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[C@@H]1[NH3+] ZINC000435381444 458130052 /nfs/dbraw/zinc/13/00/52/458130052.db2.gz TYUZEPNUCAREIP-JXFKEZNVSA-N 2 1 347.466 3.103 20 0 EGADMP Cc1ccc(-n2cc(C[N@H+]3CC[C@H](C[NH3+])C3)c(C(C)(C)C)n2)cc1 ZINC000435388843 458133419 /nfs/dbraw/zinc/13/34/19/458133419.db2.gz JDLMMIINPLLEMK-MRXNPFEDSA-N 2 1 326.488 3.259 20 0 EGADMP CC[N@H+](Cc1cc(Br)c(OC)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435395443 458136378 /nfs/dbraw/zinc/13/63/78/458136378.db2.gz SJTIJZFVEODEOU-LLVKDONJSA-N 2 1 347.322 3.483 20 0 EGADMP CC[N@@H+](Cc1cc(Br)c(OC)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435395443 458136384 /nfs/dbraw/zinc/13/63/84/458136384.db2.gz SJTIJZFVEODEOU-LLVKDONJSA-N 2 1 347.322 3.483 20 0 EGADMP CC[C@@H]1C[C@H](C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000435427294 458144535 /nfs/dbraw/zinc/14/45/35/458144535.db2.gz MEUBDFVIAGLYAG-ZACQAIPSSA-N 2 1 349.544 3.292 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435447501 458149533 /nfs/dbraw/zinc/14/95/33/458149533.db2.gz PPOUJZONYYMRJY-LJQANCHMSA-N 2 1 325.456 3.331 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435447501 458149539 /nfs/dbraw/zinc/14/95/39/458149539.db2.gz PPOUJZONYYMRJY-LJQANCHMSA-N 2 1 325.456 3.331 20 0 EGADMP Cc1ncsc1CC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435629344 458176632 /nfs/dbraw/zinc/17/66/32/458176632.db2.gz UFYONZAXWMWADT-QGZVFWFLSA-N 2 1 330.501 3.033 20 0 EGADMP Cn1ccnc1C[N@@H+](CCCC1CCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435692611 458185718 /nfs/dbraw/zinc/18/57/18/458185718.db2.gz HJBXSKMDMHHSMG-GOSISDBHSA-N 2 1 330.520 3.335 20 0 EGADMP COC1(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000428872897 458226377 /nfs/dbraw/zinc/22/63/77/458226377.db2.gz SZJPKGYUAHMMNF-UYAOXDASSA-N 2 1 346.515 3.072 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccccc1C[NH+](C)C ZINC000362526087 458246449 /nfs/dbraw/zinc/24/64/49/458246449.db2.gz PRFWSTSBGALDFT-QGZVFWFLSA-N 2 1 331.504 3.133 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1 ZINC000429147695 458282250 /nfs/dbraw/zinc/28/22/50/458282250.db2.gz CCCYOYSPPBKKCF-LPHOPBHVSA-N 2 1 331.504 3.118 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000429236022 458295517 /nfs/dbraw/zinc/29/55/17/458295517.db2.gz KPDRCORFBBSJKN-KRWDZBQOSA-N 2 1 342.487 3.493 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000429236022 458295522 /nfs/dbraw/zinc/29/55/22/458295522.db2.gz KPDRCORFBBSJKN-KRWDZBQOSA-N 2 1 342.487 3.493 20 0 EGADMP C[C@H]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000429577202 458348543 /nfs/dbraw/zinc/34/85/43/458348543.db2.gz DZMZNDXODNYXBT-FXAWDEMLSA-N 2 1 343.515 3.019 20 0 EGADMP CCc1nn(-c2ccccc2)c(CC)c1CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000448022960 458380010 /nfs/dbraw/zinc/38/00/10/458380010.db2.gz QUPNGMYFGAHWDV-OXJNMPFZSA-N 2 1 340.515 3.427 20 0 EGADMP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000448022960 458380015 /nfs/dbraw/zinc/38/00/15/458380015.db2.gz QUPNGMYFGAHWDV-OXJNMPFZSA-N 2 1 340.515 3.427 20 0 EGADMP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000448022960 458380018 /nfs/dbraw/zinc/38/00/18/458380018.db2.gz QUPNGMYFGAHWDV-OXJNMPFZSA-N 2 1 340.515 3.427 20 0 EGADMP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000448022960 458380021 /nfs/dbraw/zinc/38/00/21/458380021.db2.gz QUPNGMYFGAHWDV-OXJNMPFZSA-N 2 1 340.515 3.427 20 0 EGADMP COc1ccccc1-n1nccc1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000429999575 458388704 /nfs/dbraw/zinc/38/87/04/458388704.db2.gz KNBXSXVLTKYAKI-UHFFFAOYSA-N 2 1 342.487 3.093 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000376825021 458397882 /nfs/dbraw/zinc/39/78/82/458397882.db2.gz ZXJJOHJDKHJMLQ-MJUUVYJYSA-N 2 1 330.516 3.285 20 0 EGADMP C[C@H]1CN(c2ccccc2C[NH2+]CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000459530673 458401816 /nfs/dbraw/zinc/40/18/16/458401816.db2.gz SKSZNXGZQPPESV-SFHVURJKSA-N 2 1 345.531 3.123 20 0 EGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC[C@H]3CCC[N@@H+](C)C3)ccc21 ZINC000459627896 458431562 /nfs/dbraw/zinc/43/15/62/458431562.db2.gz YCDANVJGBDPCME-BEFAXECRSA-N 2 1 344.503 3.089 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423437802 458431999 /nfs/dbraw/zinc/43/19/99/458431999.db2.gz QSNGUUGDOBETCZ-KBXCAEBGSA-N 2 1 340.471 3.136 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(OC(F)(F)F)cc1 ZINC000423492704 458442763 /nfs/dbraw/zinc/44/27/63/458442763.db2.gz OIHCCFRWXCVCEK-GJZGRUSLSA-N 2 1 332.366 3.004 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc2cc(OC)ccc2c1 ZINC000423498281 458443912 /nfs/dbraw/zinc/44/39/12/458443912.db2.gz BPRXPGMMHNDVBU-UXHICEINSA-N 2 1 328.456 3.268 20 0 EGADMP C[C@@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423527330 458452029 /nfs/dbraw/zinc/45/20/29/458452029.db2.gz MHQNVTNMPNERQD-TWHAJKEOSA-N 2 1 349.522 3.242 20 0 EGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423531082 458452055 /nfs/dbraw/zinc/45/20/55/458452055.db2.gz QEFWWLRQYGSMCU-OJAHFUOMSA-N 2 1 344.499 3.234 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423551085 458456438 /nfs/dbraw/zinc/45/64/38/458456438.db2.gz TVCNEPSVCYVIOY-AKBOATIKSA-N 3 1 341.543 3.407 20 0 EGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000459721838 458457403 /nfs/dbraw/zinc/45/74/03/458457403.db2.gz BDYDBPFUSWSTFQ-MSOLQXFVSA-N 2 1 331.504 3.342 20 0 EGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1C ZINC000459735808 458462181 /nfs/dbraw/zinc/46/21/81/458462181.db2.gz PSFMKEBBYSOAIP-FUHWJXTLSA-N 2 1 331.504 3.342 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430571990 458462991 /nfs/dbraw/zinc/46/29/91/458462991.db2.gz OVRJNMQZSOXARE-DOTOQJQBSA-N 2 1 325.456 3.228 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1)C1CC1 ZINC000430625911 458473073 /nfs/dbraw/zinc/47/30/73/458473073.db2.gz KCESOFWEDJPSCV-LJQANCHMSA-N 2 1 343.515 3.179 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000423720219 458475145 /nfs/dbraw/zinc/47/51/45/458475145.db2.gz AJWLETJZXGNYTQ-RCJHGTSTSA-N 2 1 329.488 3.184 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+](CC)CC ZINC000430663166 458477142 /nfs/dbraw/zinc/47/71/42/458477142.db2.gz FMYKVZDEXWCVGV-MISYRCLQSA-N 2 1 345.531 3.276 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CN(Cc2ccccc2)C1 ZINC000459794406 458481060 /nfs/dbraw/zinc/48/10/60/458481060.db2.gz UPNIEDPUGJAKLE-HMXCVIKNSA-N 2 1 329.532 3.219 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000423781433 458482521 /nfs/dbraw/zinc/48/25/21/458482521.db2.gz XKEOIHPEVBLTSH-KRWDZBQOSA-N 2 1 345.531 3.079 20 0 EGADMP [NH3+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430936431 458508050 /nfs/dbraw/zinc/50/80/50/458508050.db2.gz YLXUBAMFHPHUOV-INIZCTEOSA-N 2 1 339.439 3.088 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430949938 458509423 /nfs/dbraw/zinc/50/94/23/458509423.db2.gz FMOIFDYKPKUYAF-CQSZACIVSA-N 2 1 330.394 3.406 20 0 EGADMP CC(C)n1nccc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373497276 458510984 /nfs/dbraw/zinc/51/09/84/458510984.db2.gz SCUDTSXYMYRKSX-HKUYNNGSSA-N 2 1 326.488 3.464 20 0 EGADMP CC(C)n1nccc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373497276 458510988 /nfs/dbraw/zinc/51/09/88/458510988.db2.gz SCUDTSXYMYRKSX-HKUYNNGSSA-N 2 1 326.488 3.464 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1C1CCCC1)c1ccccc1 ZINC000460383850 458515524 /nfs/dbraw/zinc/51/55/24/458515524.db2.gz IGTFOOUVDMSWCZ-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000431063231 458523175 /nfs/dbraw/zinc/52/31/75/458523175.db2.gz YVILCOKMNVYUQP-BTHPGYMESA-N 2 1 343.515 3.236 20 0 EGADMP CCC[N@@H+](Cc1cccc(C(=O)NCC(C)C)c1)C1CC[NH2+]CC1 ZINC000431082149 458526448 /nfs/dbraw/zinc/52/64/48/458526448.db2.gz HRAJALXZWXXLHL-UHFFFAOYSA-N 2 1 331.504 3.036 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438100590 458532319 /nfs/dbraw/zinc/53/23/19/458532319.db2.gz QGTLPLMLNRLODN-QGZVFWFLSA-N 2 1 348.516 3.071 20 0 EGADMP CN(CCC[N@@H+](C)Cc1ccco1)c1nc2ccc(F)cc2n1C ZINC000431412221 458569262 /nfs/dbraw/zinc/56/92/62/458569262.db2.gz CARIRSYKNNOCRH-UHFFFAOYSA-N 2 1 330.407 3.264 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@H]([NH3+])CC2CCCCC2)C[C@H]1C ZINC000424149865 458571846 /nfs/dbraw/zinc/57/18/46/458571846.db2.gz XSCDFAMRDCTBOC-NEWSRXKRSA-N 2 1 337.552 3.396 20 0 EGADMP Cc1[nH+]ccn1CCCN(C)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424171546 458575998 /nfs/dbraw/zinc/57/59/98/458575998.db2.gz MCWFVWHOWXQBON-SFHVURJKSA-N 2 1 334.508 3.118 20 0 EGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438561341 458597664 /nfs/dbraw/zinc/59/76/64/458597664.db2.gz KQIVQMQQFWLJCA-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)ccc2o1 ZINC000424284104 458604447 /nfs/dbraw/zinc/60/44/47/458604447.db2.gz CIUIIXFDPXNGMI-AWEZNQCLSA-N 2 1 342.439 3.183 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1CCC(=O)Nc1ccccc1Cl)CC[NH2+]CC2 ZINC000424290510 458605112 /nfs/dbraw/zinc/60/51/12/458605112.db2.gz MSKDCMGMLRWJFZ-CQSZACIVSA-N 2 1 335.879 3.133 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000431746008 458616129 /nfs/dbraw/zinc/61/61/29/458616129.db2.gz STMGCBAHXHIUFU-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000431746008 458616135 /nfs/dbraw/zinc/61/61/35/458616135.db2.gz STMGCBAHXHIUFU-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000431746008 458616141 /nfs/dbraw/zinc/61/61/41/458616141.db2.gz STMGCBAHXHIUFU-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431746270 458617264 /nfs/dbraw/zinc/61/72/64/458617264.db2.gz TXVODQNFSZOLPN-RMJJICAUSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000431759701 458618708 /nfs/dbraw/zinc/61/87/08/458618708.db2.gz PQPQPKDLGUBEBL-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000502242921 458641979 /nfs/dbraw/zinc/64/19/79/458641979.db2.gz UGUOTBQSEXWHHK-DLBZAZTESA-N 2 1 334.504 3.265 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+]CC2([NH+](C)C)CCCC2)cc1OC ZINC000502278962 458643439 /nfs/dbraw/zinc/64/34/39/458643439.db2.gz FYEYIGWFMFCBNX-INIZCTEOSA-N 2 1 334.504 3.407 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000424446654 458644924 /nfs/dbraw/zinc/64/49/24/458644924.db2.gz SDHQNKOOSWJBCV-UHFFFAOYSA-N 2 1 340.471 3.097 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000439077958 458650680 /nfs/dbraw/zinc/65/06/80/458650680.db2.gz MPVUBOQNVXMIAN-LSDHHAIUSA-N 2 1 333.476 3.036 20 0 EGADMP Cc1cc(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000462826588 458659170 /nfs/dbraw/zinc/65/91/70/458659170.db2.gz QIQKBXZLEXUFSF-HUUCEWRRSA-N 2 1 347.890 3.396 20 0 EGADMP CCOc1cc2[nH+]ccc(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2cc1OCC ZINC000462868324 458662670 /nfs/dbraw/zinc/66/26/70/458662670.db2.gz AYLUVCZCAYGRTP-HUUCEWRRSA-N 2 1 343.471 3.349 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCSc3ccc(C)c(C)c3)C2)CC1 ZINC000471162568 458680104 /nfs/dbraw/zinc/68/01/04/458680104.db2.gz QMSKMBRBFULZFU-IBGZPJMESA-N 2 1 347.572 3.107 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)CC3 ZINC000547318880 458718474 /nfs/dbraw/zinc/71/84/74/458718474.db2.gz NPPUCIOYAQOZPI-OAHLLOKOSA-N 2 1 341.499 3.498 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)CC3 ZINC000547318880 458718477 /nfs/dbraw/zinc/71/84/77/458718477.db2.gz NPPUCIOYAQOZPI-OAHLLOKOSA-N 2 1 341.499 3.498 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]CC2CCC(C(F)(F)F)CC2)CCCO1 ZINC000432351173 458722207 /nfs/dbraw/zinc/72/22/07/458722207.db2.gz JRXICCJYAQCDOP-FHERZECASA-N 2 1 336.442 3.446 20 0 EGADMP COCCC1(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CCCCC1 ZINC000432359479 458723374 /nfs/dbraw/zinc/72/33/74/458723374.db2.gz QOMVAVLIYVFHCJ-SFHVURJKSA-N 2 1 326.525 3.064 20 0 EGADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000471780051 458728441 /nfs/dbraw/zinc/72/84/41/458728441.db2.gz KJOQINBWKUOMFA-VAMGGRTRSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000439691966 458740400 /nfs/dbraw/zinc/74/04/00/458740400.db2.gz HNVRBPPRKZHBFE-MRXNPFEDSA-N 2 1 337.533 3.050 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000439691966 458740407 /nfs/dbraw/zinc/74/04/07/458740407.db2.gz HNVRBPPRKZHBFE-MRXNPFEDSA-N 2 1 337.533 3.050 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000494958277 458773137 /nfs/dbraw/zinc/77/31/37/458773137.db2.gz VJFJQUKCBCTUGP-OAHLLOKOSA-N 2 1 349.500 3.336 20 0 EGADMP C[NH+](C)CCOC1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432737371 458777529 /nfs/dbraw/zinc/77/75/29/458777529.db2.gz KCUZZEJKEOQPHW-UHFFFAOYSA-N 2 1 336.423 3.310 20 0 EGADMP C[NH+](C)CCc1ccc(CNC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC000547735965 458782468 /nfs/dbraw/zinc/78/24/68/458782468.db2.gz PWKUXGSVOSFUOE-UHFFFAOYSA-N 2 1 345.531 3.062 20 0 EGADMP C[N@H+](CCC(=O)N1CC[NH+](C)Cc2ccccc21)C1CCCCC1 ZINC000548061013 458830233 /nfs/dbraw/zinc/83/02/33/458830233.db2.gz IZQRFXJTVLLJCW-UHFFFAOYSA-N 2 1 329.488 3.120 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[NH+](C)Cc2ccccc21)C1CCCCC1 ZINC000548061013 458830236 /nfs/dbraw/zinc/83/02/36/458830236.db2.gz IZQRFXJTVLLJCW-UHFFFAOYSA-N 2 1 329.488 3.120 20 0 EGADMP C[NH+](CCC(=O)N1CC[N@H+](C)Cc2ccccc21)C1CCCCC1 ZINC000548061013 458830237 /nfs/dbraw/zinc/83/02/37/458830237.db2.gz IZQRFXJTVLLJCW-UHFFFAOYSA-N 2 1 329.488 3.120 20 0 EGADMP C[NH+](CCC(=O)N1CC[N@@H+](C)Cc2ccccc21)C1CCCCC1 ZINC000548061013 458830240 /nfs/dbraw/zinc/83/02/40/458830240.db2.gz IZQRFXJTVLLJCW-UHFFFAOYSA-N 2 1 329.488 3.120 20 0 EGADMP CC1(C)CCC[N@H+]1CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000457049954 458847586 /nfs/dbraw/zinc/84/75/86/458847586.db2.gz GEDOFCKSYUCBQR-UHFFFAOYSA-N 2 1 343.515 3.277 20 0 EGADMP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556178591 458934503 /nfs/dbraw/zinc/93/45/03/458934503.db2.gz FOKVLBVRANSRNW-BDTNDASRSA-N 2 1 338.495 3.324 20 0 EGADMP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556178591 458934509 /nfs/dbraw/zinc/93/45/09/458934509.db2.gz FOKVLBVRANSRNW-BDTNDASRSA-N 2 1 338.495 3.324 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000566440686 458935357 /nfs/dbraw/zinc/93/53/57/458935357.db2.gz PAPSUESVLSLTDQ-FQEVSTJZSA-N 2 1 345.531 3.031 20 0 EGADMP FC(F)(F)c1cccc(OCCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000576943738 458952671 /nfs/dbraw/zinc/95/26/71/458952671.db2.gz VCHQMKLPYFELRC-UONOGXRCSA-N 2 1 328.378 3.016 20 0 EGADMP COC[C@H]1CCCC[NH+](CC(C)C[N@@H+]2CCCC[C@H](COC)C2)C1 ZINC000467123377 458953031 /nfs/dbraw/zinc/95/30/31/458953031.db2.gz YBEIAHJVTAGLQH-PMACEKPBSA-N 2 1 340.552 3.120 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000476128166 458980893 /nfs/dbraw/zinc/98/08/93/458980893.db2.gz BSZWGEJXOXBXNS-KSZLIROESA-N 2 1 337.552 3.266 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000566716885 458987919 /nfs/dbraw/zinc/98/79/19/458987919.db2.gz OKAPXFAFBTWAJO-LEWJYISDSA-N 2 1 330.516 3.382 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cnc3n2CCCC3)cc1)C1CC1 ZINC000577262138 459006109 /nfs/dbraw/zinc/00/61/09/459006109.db2.gz ADJSDECQQZUBGA-UHFFFAOYSA-N 2 1 338.455 3.456 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@@H](C)c3cnccn3)C2)s1 ZINC000577324063 459015184 /nfs/dbraw/zinc/01/51/84/459015184.db2.gz HNBRVHAZRDMTAN-HOTGVXAUSA-N 2 1 330.501 3.361 20 0 EGADMP COC(=O)c1cccc(CN[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000566941775 459024390 /nfs/dbraw/zinc/02/43/90/459024390.db2.gz UQLRVWAMXMAFDI-JXFKEZNVSA-N 2 1 338.451 3.398 20 0 EGADMP CN(C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C1CC([NH3+])C1 ZINC000556947398 459036134 /nfs/dbraw/zinc/03/61/34/459036134.db2.gz JWCFIPIPFFEJBN-UHFFFAOYSA-N 2 1 344.503 3.405 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H]2CCc2ccccc2)CC1(C)C ZINC000442881464 459051565 /nfs/dbraw/zinc/05/15/65/459051565.db2.gz ZMZHUVLPNVOJPM-NHCUHLMSSA-N 2 1 343.559 3.404 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc4ccccc4o3)C2)CC1 ZINC000532268140 459057744 /nfs/dbraw/zinc/05/77/44/459057744.db2.gz RBJGPOIDQFVLKZ-SFHVURJKSA-N 2 1 327.472 3.033 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000442917166 459059618 /nfs/dbraw/zinc/05/96/18/459059618.db2.gz CKRILUYGZKNDFZ-OAHLLOKOSA-N 2 1 331.485 3.283 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000442917166 459059624 /nfs/dbraw/zinc/05/96/24/459059624.db2.gz CKRILUYGZKNDFZ-OAHLLOKOSA-N 2 1 331.485 3.283 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000557336956 459064056 /nfs/dbraw/zinc/06/40/56/459064056.db2.gz XQTGNOCFWMZPIC-NRFANRHFSA-N 2 1 329.532 3.110 20 0 EGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000577676383 459071458 /nfs/dbraw/zinc/07/14/58/459071458.db2.gz BUVILPACXULZON-OXJNMPFZSA-N 2 1 341.499 3.228 20 0 EGADMP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CCCC1 ZINC000577684610 459073078 /nfs/dbraw/zinc/07/30/78/459073078.db2.gz MOJJTRGPTCJIQC-BURNTYAHSA-N 2 1 328.500 3.038 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000443055260 459077691 /nfs/dbraw/zinc/07/76/91/459077691.db2.gz BADNQFBPBMPYJS-LAUBAEHRSA-N 2 1 343.515 3.095 20 0 EGADMP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443056839 459079424 /nfs/dbraw/zinc/07/94/24/459079424.db2.gz DJYAFHQXJJACGU-HOTGVXAUSA-N 2 1 343.471 3.013 20 0 EGADMP COc1ccccc1-c1nc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cs1 ZINC000443063559 459081336 /nfs/dbraw/zinc/08/13/36/459081336.db2.gz WVNIUFBODWDFGV-CQSZACIVSA-N 2 1 331.485 3.380 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000478358647 459086435 /nfs/dbraw/zinc/08/64/35/459086435.db2.gz SXTRWRIBLJVBFB-QGZVFWFLSA-N 2 1 332.488 3.463 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000478358647 459086439 /nfs/dbraw/zinc/08/64/39/459086439.db2.gz SXTRWRIBLJVBFB-QGZVFWFLSA-N 2 1 332.488 3.463 20 0 EGADMP CCOc1cc2c(cc1CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C)O[C@@H](C)C2 ZINC000532454885 459092430 /nfs/dbraw/zinc/09/24/30/459092430.db2.gz SSWCVMJMJXIBKR-RLFYNMQTSA-N 2 1 332.488 3.229 20 0 EGADMP CC[C@H]1CCC[C@H]1CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000567406714 459101641 /nfs/dbraw/zinc/10/16/41/459101641.db2.gz PZQAYQBGSOUOCL-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000577854668 459107511 /nfs/dbraw/zinc/10/75/11/459107511.db2.gz VSCKBIVYHFMRSQ-RKNHFHLDSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000577955205 459123687 /nfs/dbraw/zinc/12/36/87/459123687.db2.gz HDGGUHDASFKCEO-YLJYHZDGSA-N 2 1 343.515 3.067 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000496392713 459177034 /nfs/dbraw/zinc/17/70/34/459177034.db2.gz NSSMIKAKDJQENB-JCYILVPMSA-N 2 1 339.524 3.286 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000496392713 459177038 /nfs/dbraw/zinc/17/70/38/459177038.db2.gz NSSMIKAKDJQENB-JCYILVPMSA-N 2 1 339.524 3.286 20 0 EGADMP CC[N@H+](CCC1CC[NH+](Cc2cc(C(C)=O)no2)CC1)CC(C)C ZINC000521894611 459190558 /nfs/dbraw/zinc/19/05/58/459190558.db2.gz UYKNDNIJSLSKTO-UHFFFAOYSA-N 2 1 335.492 3.457 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(C(C)=O)no2)CC1)CC(C)C ZINC000521894611 459190566 /nfs/dbraw/zinc/19/05/66/459190566.db2.gz UYKNDNIJSLSKTO-UHFFFAOYSA-N 2 1 335.492 3.457 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CN1C(=O)OC(C)(C)C ZINC000496478031 459207456 /nfs/dbraw/zinc/20/74/56/459207456.db2.gz XOWZGSBUEUWGFD-HZPDHXFCSA-N 2 1 339.524 3.238 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000480737539 459217132 /nfs/dbraw/zinc/21/71/32/459217132.db2.gz OXDSZSIGPRZMBR-OTWHNJEPSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000480737539 459217138 /nfs/dbraw/zinc/21/71/38/459217138.db2.gz OXDSZSIGPRZMBR-OTWHNJEPSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000480737539 459217145 /nfs/dbraw/zinc/21/71/45/459217145.db2.gz OXDSZSIGPRZMBR-OTWHNJEPSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000481153638 459235540 /nfs/dbraw/zinc/23/55/40/459235540.db2.gz JOCKFZAWVBIYEE-QRVBRYPASA-N 2 1 347.547 3.398 20 0 EGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000481153638 459235548 /nfs/dbraw/zinc/23/55/48/459235548.db2.gz JOCKFZAWVBIYEE-QRVBRYPASA-N 2 1 347.547 3.398 20 0 EGADMP Cc1nn(C)cc1C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000533739195 459266310 /nfs/dbraw/zinc/26/63/10/459266310.db2.gz XPOZUOOLKDJUCK-LPHOPBHVSA-N 2 1 326.488 3.119 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000496659606 459276181 /nfs/dbraw/zinc/27/61/81/459276181.db2.gz LLIZIXJJOPQGHQ-GVDBMIGSSA-N 2 1 341.540 3.198 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000496659606 459276186 /nfs/dbraw/zinc/27/61/86/459276186.db2.gz LLIZIXJJOPQGHQ-GVDBMIGSSA-N 2 1 341.540 3.198 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000496659606 459276187 /nfs/dbraw/zinc/27/61/87/459276187.db2.gz LLIZIXJJOPQGHQ-GVDBMIGSSA-N 2 1 341.540 3.198 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000496659606 459276193 /nfs/dbraw/zinc/27/61/93/459276193.db2.gz LLIZIXJJOPQGHQ-GVDBMIGSSA-N 2 1 341.540 3.198 20 0 EGADMP C[C@H](CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[NH+]1CCC(C)CC1 ZINC000481971234 459283506 /nfs/dbraw/zinc/28/35/06/459283506.db2.gz GQCLGQGGOJLCQW-MOPGFXCFSA-N 2 1 347.547 3.398 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000482540079 459314062 /nfs/dbraw/zinc/31/40/62/459314062.db2.gz CFZFPNVVAGQCKR-YADHBBJMSA-N 2 1 343.559 3.405 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000482999714 459333940 /nfs/dbraw/zinc/33/39/40/459333940.db2.gz MNOYVOABYONNKW-QGZVFWFLSA-N 2 1 340.556 3.061 20 0 EGADMP CC[N@@H+](C)C[C@H](O)CN[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000568764280 459340635 /nfs/dbraw/zinc/34/06/35/459340635.db2.gz OVNSJAITEZZOQL-QFBILLFUSA-N 2 1 342.483 3.325 20 0 EGADMP CCN(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000568764280 459340642 /nfs/dbraw/zinc/34/06/42/459340642.db2.gz OVNSJAITEZZOQL-QFBILLFUSA-N 2 1 342.483 3.325 20 0 EGADMP Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000560544182 459370608 /nfs/dbraw/zinc/37/06/08/459370608.db2.gz GVEYCLAWYQXPOO-CEWLAPEOSA-N 2 1 338.499 3.201 20 0 EGADMP Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000560544182 459370612 /nfs/dbraw/zinc/37/06/12/459370612.db2.gz GVEYCLAWYQXPOO-CEWLAPEOSA-N 2 1 338.499 3.201 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2cccc(C)c2)[C@@H](C)C1 ZINC000483712600 459385141 /nfs/dbraw/zinc/38/51/41/459385141.db2.gz MJYIZJXZKBZPET-ZJOUEHCJSA-N 2 1 348.531 3.489 20 0 EGADMP CC(C)[NH+]1CCN(c2cccc(N[C@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)c2)CC1 ZINC000540748560 459385187 /nfs/dbraw/zinc/38/51/87/459385187.db2.gz QFAGRXCBUGFYFW-OPYAIIAOSA-N 2 1 344.547 3.358 20 0 EGADMP CCC[NH+](CCC)CCCNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000483736850 459387712 /nfs/dbraw/zinc/38/77/12/459387712.db2.gz SUBGUJQCHCLRQT-ROUUACIJSA-N 2 1 340.556 3.013 20 0 EGADMP CCCCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000484725412 459428787 /nfs/dbraw/zinc/42/87/87/459428787.db2.gz CXWZHCIEIAGAET-AQNXPRMDSA-N 2 1 332.488 3.112 20 0 EGADMP COc1cccc([C@H](C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])N2CCCC2)c1 ZINC000569349526 459436974 /nfs/dbraw/zinc/43/69/74/459436974.db2.gz JGQMEROBFGOGLE-AQNXPRMDSA-N 2 1 331.504 3.082 20 0 EGADMP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000561291849 459439387 /nfs/dbraw/zinc/43/93/87/459439387.db2.gz HENQTXVFYQJHRX-URVUXULASA-N 2 1 343.559 3.213 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)C1 ZINC000541574315 459467580 /nfs/dbraw/zinc/46/75/80/459467580.db2.gz JKWNONGJULTLLJ-HOTGVXAUSA-N 2 1 325.541 3.170 20 0 EGADMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)ccc1OC(F)F ZINC000583071854 459476828 /nfs/dbraw/zinc/47/68/28/459476828.db2.gz VYBFBMYCZKDJRK-GXTWGEPZSA-N 2 1 328.403 3.117 20 0 EGADMP Cc1cnccc1CC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000569689751 459493505 /nfs/dbraw/zinc/49/35/05/459493505.db2.gz UZWUAIILKJMSPC-KDURUIRLSA-N 2 1 345.531 3.144 20 0 EGADMP [NH3+]Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000569811103 459513895 /nfs/dbraw/zinc/51/38/95/459513895.db2.gz KIVPIVYPCGMFBW-KOUNCHBCSA-N 3 1 335.495 3.431 20 0 EGADMP [NH3+]Cc1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000569811103 459513901 /nfs/dbraw/zinc/51/39/01/459513901.db2.gz KIVPIVYPCGMFBW-KOUNCHBCSA-N 2 1 335.495 3.431 20 0 EGADMP [NH3+]Cc1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000569811103 459513908 /nfs/dbraw/zinc/51/39/08/459513908.db2.gz KIVPIVYPCGMFBW-KOUNCHBCSA-N 2 1 335.495 3.431 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C[C@@H]1C ZINC000596093651 459517112 /nfs/dbraw/zinc/51/71/12/459517112.db2.gz CUHMZBXPXTYAIU-WZGPROSRSA-N 2 1 336.520 3.066 20 0 EGADMP CC[C@@]1(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCC[NH2+]1 ZINC000569849869 459520658 /nfs/dbraw/zinc/52/06/58/459520658.db2.gz GCSRSXJKAANHPG-MJGOQNOKSA-N 2 1 349.906 3.125 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2CCC2CCCCC2)CC1 ZINC000486802238 459523730 /nfs/dbraw/zinc/52/37/30/459523730.db2.gz WGYYTZQUDMWKED-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000562615786 459602703 /nfs/dbraw/zinc/60/27/03/459602703.db2.gz SQBGCCLFPNMUIA-RDGPPVDQSA-N 2 1 332.536 3.404 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000562615785 459603466 /nfs/dbraw/zinc/60/34/66/459603466.db2.gz SQBGCCLFPNMUIA-HCXYKTFWSA-N 2 1 332.536 3.404 20 0 EGADMP c1ccc(-c2noc([C@@H]3CCCC[N@@H+]3CC[C@H]3CC[NH2+]C3)n2)cc1 ZINC000583922374 459619671 /nfs/dbraw/zinc/61/96/71/459619671.db2.gz OAHZSJHNUYQZRZ-WBVHZDCISA-N 2 1 326.444 3.263 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592514400 459621318 /nfs/dbraw/zinc/62/13/18/459621318.db2.gz JHSDLHHEDRJHAW-QRVBRYPASA-N 2 1 342.483 3.115 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592514400 459621322 /nfs/dbraw/zinc/62/13/22/459621322.db2.gz JHSDLHHEDRJHAW-QRVBRYPASA-N 2 1 342.483 3.115 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000543431395 459656612 /nfs/dbraw/zinc/65/66/12/459656612.db2.gz GNMDGHQNSAOAEW-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ncc(Cl)cc1Br ZINC000527642168 459682297 /nfs/dbraw/zinc/68/22/97/459682297.db2.gz SJDJRPONWOHPBT-UHFFFAOYSA-N 2 1 343.656 3.182 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)CC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000562995285 459689465 /nfs/dbraw/zinc/68/94/65/459689465.db2.gz BNVDQKVYJGZWAP-DJIMGWMZSA-N 2 1 344.421 3.190 20 0 EGADMP Cc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1F ZINC000596619868 459701849 /nfs/dbraw/zinc/70/18/49/459701849.db2.gz NASSOZPPSGEXJB-SFHVURJKSA-N 2 1 347.503 3.274 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527720866 459713076 /nfs/dbraw/zinc/71/30/76/459713076.db2.gz QQRPREXHWKKHNC-LLVKDONJSA-N 2 1 346.700 3.319 20 0 EGADMP [NH3+]Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000563135960 459723326 /nfs/dbraw/zinc/72/33/26/459723326.db2.gz WFBOJJUXVFMWRH-UHFFFAOYSA-N 3 1 341.474 3.081 20 0 EGADMP [NH3+]Cc1ccc(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000563135960 459723331 /nfs/dbraw/zinc/72/33/31/459723331.db2.gz WFBOJJUXVFMWRH-UHFFFAOYSA-N 2 1 341.474 3.081 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CC[NH+]3CCCCC3)C2)s1 ZINC000563217238 459741365 /nfs/dbraw/zinc/74/13/65/459741365.db2.gz MSHODVNOUQFXKY-SFHVURJKSA-N 2 1 335.561 3.296 20 0 EGADMP CCCNC(=O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000573860105 459746537 /nfs/dbraw/zinc/74/65/37/459746537.db2.gz MRBNPVZAYNKVAU-LJQANCHMSA-N 2 1 345.531 3.183 20 0 EGADMP CCCNC(=O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000573860105 459746543 /nfs/dbraw/zinc/74/65/43/459746543.db2.gz MRBNPVZAYNKVAU-LJQANCHMSA-N 2 1 345.531 3.183 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](SC)C(C)(C)C)[C@@H](C)C1 ZINC000544384719 459754017 /nfs/dbraw/zinc/75/40/17/459754017.db2.gz DDQJJYUUQQUXMN-ULQDDVLXSA-N 2 1 330.582 3.491 20 0 EGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CC12CC2 ZINC000527853289 459757877 /nfs/dbraw/zinc/75/78/77/459757877.db2.gz UHHYFUGKWUNJNG-IHPCNDPISA-N 2 1 327.516 3.143 20 0 EGADMP C[C@H](NCc1n[nH]c(C2CC[NH2+]CC2)n1)c1ccc2c(c1)CCCC2 ZINC000566103845 459805515 /nfs/dbraw/zinc/80/55/15/459805515.db2.gz NOLLYUOJIRUQKV-AWEZNQCLSA-N 2 1 339.487 3.001 20 0 EGADMP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc2c(c1)CCCC2 ZINC000566103845 459805518 /nfs/dbraw/zinc/80/55/18/459805518.db2.gz NOLLYUOJIRUQKV-AWEZNQCLSA-N 2 1 339.487 3.001 20 0 EGADMP c1cnc(Oc2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)cn1 ZINC000575850677 460017060 /nfs/dbraw/zinc/01/70/60/460017060.db2.gz NSMWUNCMNXDDCX-MJGOQNOKSA-N 2 1 338.455 3.233 20 0 EGADMP CCCc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000621727922 460033678 /nfs/dbraw/zinc/03/36/78/460033678.db2.gz WASVIKLYFSQZSI-KRWDZBQOSA-N 2 1 335.561 3.301 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2nn(C)c3ccccc23)C1 ZINC000589641921 460119300 /nfs/dbraw/zinc/11/93/00/460119300.db2.gz VMDJURAAIJLZLO-CALCHBBNSA-N 2 1 328.504 3.421 20 0 EGADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1nc2ccccc2n1C(F)F ZINC000576408724 460135617 /nfs/dbraw/zinc/13/56/17/460135617.db2.gz LQRILOIQRBTXHM-GFCCVEGCSA-N 2 1 333.386 3.448 20 0 EGADMP COC(=O)c1oc([C@H](C)[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1C ZINC000602846028 460156990 /nfs/dbraw/zinc/15/69/90/460156990.db2.gz OSWNTKMGBGUISJ-HNNXBMFYSA-N 2 1 343.427 3.043 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC000599310322 460225013 /nfs/dbraw/zinc/22/50/13/460225013.db2.gz QANKFSGZNZOGBX-PXNSSMCTSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000599310322 460225014 /nfs/dbraw/zinc/22/50/14/460225014.db2.gz QANKFSGZNZOGBX-PXNSSMCTSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC000599310322 460225016 /nfs/dbraw/zinc/22/50/16/460225016.db2.gz QANKFSGZNZOGBX-PXNSSMCTSA-N 2 1 343.515 3.162 20 0 EGADMP CC(C)(CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000622554184 460276680 /nfs/dbraw/zinc/27/66/80/460276680.db2.gz ORAVRKGUBUUORO-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@@H]2COc3ccccc3O2)C1 ZINC000603740925 460338082 /nfs/dbraw/zinc/33/80/82/460338082.db2.gz XUXUEDMPSCTFRB-GUDVDZBRSA-N 2 1 344.499 3.413 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626101017 460371234 /nfs/dbraw/zinc/37/12/34/460371234.db2.gz FYCOXNMCUUOLNM-HNNXBMFYSA-N 2 1 328.243 3.212 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1C ZINC000600123990 460392747 /nfs/dbraw/zinc/39/27/47/460392747.db2.gz KVSWBMFHWPHXBE-QGZVFWFLSA-N 2 1 347.503 3.116 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1C ZINC000600123990 460392753 /nfs/dbraw/zinc/39/27/53/460392753.db2.gz KVSWBMFHWPHXBE-QGZVFWFLSA-N 2 1 347.503 3.116 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000631623977 460477323 /nfs/dbraw/zinc/47/73/23/460477323.db2.gz KDENHHGLPDEEFY-TUFLPTIASA-N 2 1 340.511 3.446 20 0 EGADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCCC1=CCCCC1 ZINC000604773427 460477933 /nfs/dbraw/zinc/47/79/33/460477933.db2.gz OCJOZISRUASPNY-WMZOPIPTSA-N 2 1 337.552 3.338 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC000623358288 460510069 /nfs/dbraw/zinc/51/00/69/460510069.db2.gz XUAOXLMBWGGWEN-MRXNPFEDSA-N 2 1 345.466 3.151 20 0 EGADMP Cc1ccc2oc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2c1 ZINC000606913126 460759622 /nfs/dbraw/zinc/75/96/22/460759622.db2.gz HFHMUEQRYWODMU-SFHVURJKSA-N 2 1 328.456 3.474 20 0 EGADMP FC(F)(F)c1ncccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000629531950 460797782 /nfs/dbraw/zinc/79/77/82/460797782.db2.gz FRZKBACFQHMKBI-UONOGXRCSA-N 2 1 327.394 3.312 20 0 EGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000629545035 460802779 /nfs/dbraw/zinc/80/27/79/460802779.db2.gz ALSBYQMCZOWRGU-MISYRCLQSA-N 2 1 331.504 3.374 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)CC[C@H]1C(F)(F)F ZINC000629563524 460811106 /nfs/dbraw/zinc/81/11/06/460811106.db2.gz RJSCZZAQQLAFDR-WCQYABFASA-N 2 1 338.320 3.247 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)CC[C@H]1C(F)(F)F ZINC000629563524 460811115 /nfs/dbraw/zinc/81/11/15/460811115.db2.gz RJSCZZAQQLAFDR-WCQYABFASA-N 2 1 338.320 3.247 20 0 EGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119394 460867904 /nfs/dbraw/zinc/86/79/04/460867904.db2.gz ANRSXOUCIQZGGH-CABCVRRESA-N 2 1 337.895 3.379 20 0 EGADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119395 460868693 /nfs/dbraw/zinc/86/86/93/460868693.db2.gz ANRSXOUCIQZGGH-GJZGRUSLSA-N 2 1 337.895 3.379 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624120852 460870446 /nfs/dbraw/zinc/87/04/46/460870446.db2.gz IJPVOYWXEMRMOP-ZWKOTPCHSA-N 3 1 333.520 3.010 20 0 EGADMP C[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624120852 460870454 /nfs/dbraw/zinc/87/04/54/460870454.db2.gz IJPVOYWXEMRMOP-ZWKOTPCHSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624120852 460870461 /nfs/dbraw/zinc/87/04/61/460870461.db2.gz IJPVOYWXEMRMOP-ZWKOTPCHSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(OC[C@H](O)C[NH3+])cc2)cc1 ZINC000629702750 460875552 /nfs/dbraw/zinc/87/55/52/460875552.db2.gz UKOLSPCAJBIQFY-OXJNMPFZSA-N 2 1 340.467 3.036 20 0 EGADMP O=c1[nH]cccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000624259524 460934731 /nfs/dbraw/zinc/93/47/31/460934731.db2.gz OIRHWRZVPKBSLO-VAMGGRTRSA-N 2 1 337.467 3.178 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)[nH]c1C ZINC000628162092 461026113 /nfs/dbraw/zinc/02/61/13/461026113.db2.gz CPDUIKGPLVQZTC-UHFFFAOYSA-N 2 1 326.488 3.371 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)[nH]c1C ZINC000628162092 461026117 /nfs/dbraw/zinc/02/61/17/461026117.db2.gz CPDUIKGPLVQZTC-UHFFFAOYSA-N 2 1 326.488 3.371 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000628186174 461037689 /nfs/dbraw/zinc/03/76/89/461037689.db2.gz BDCRYJVVQMTOFI-UHFFFAOYSA-N 2 1 344.503 3.133 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3nc4ccccc4s3)C2)C1 ZINC000652349554 461142914 /nfs/dbraw/zinc/14/29/14/461142914.db2.gz SKRHYPWTHALDMI-LZWOXQAQSA-N 2 1 331.485 3.015 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(C(=O)Nc3ccccc3)c1)C2 ZINC000652352045 461146310 /nfs/dbraw/zinc/14/63/10/461146310.db2.gz YTQPFGHSCAUMAK-UGKGYDQZSA-N 2 1 349.478 3.500 20 0 EGADMP CC(C)(C)c1csc([C@@H]2CCCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662260868 461148123 /nfs/dbraw/zinc/14/81/23/461148123.db2.gz SENFAHAJWBYBKK-CABCVRRESA-N 2 1 349.544 3.489 20 0 EGADMP CC(C)(C)c1csc([C@@H]2CCCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662260868 461148126 /nfs/dbraw/zinc/14/81/26/461148126.db2.gz SENFAHAJWBYBKK-CABCVRRESA-N 2 1 349.544 3.489 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(-c3cccs3)on2)C1 ZINC000652361714 461154794 /nfs/dbraw/zinc/15/47/94/461154794.db2.gz NCZZHABUBZZORO-FVQBIDKESA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(-c3cccs3)on2)C1 ZINC000652361714 461154807 /nfs/dbraw/zinc/15/48/07/461154807.db2.gz NCZZHABUBZZORO-FVQBIDKESA-N 2 1 347.484 3.264 20 0 EGADMP Cn1cncc1CCC[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000662269941 461157049 /nfs/dbraw/zinc/15/70/49/461157049.db2.gz FVFFDOKJCSJIBL-CTNGQTDRSA-N 2 1 340.515 3.025 20 0 EGADMP Fc1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000662272338 461158014 /nfs/dbraw/zinc/15/80/14/461158014.db2.gz DWTJIHADHPFPEL-STQMWFEESA-N 2 1 328.378 3.249 20 0 EGADMP CCc1nocc1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000662270814 461158294 /nfs/dbraw/zinc/15/82/94/461158294.db2.gz OPNXJAUBRCUWLB-FXAWDEMLSA-N 2 1 327.472 3.409 20 0 EGADMP CSc1cccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662290402 461167003 /nfs/dbraw/zinc/16/70/03/461167003.db2.gz SZFZUFNVEMMOAP-MRXNPFEDSA-N 2 1 347.528 3.059 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])on2)cc1 ZINC000662287106 461168548 /nfs/dbraw/zinc/16/85/48/461168548.db2.gz WBPYYPSNCQCIMV-AUUYWEPGSA-N 2 1 329.444 3.300 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000649551778 461169050 /nfs/dbraw/zinc/16/90/50/461169050.db2.gz KNLMZMXJONHJBC-KRWDZBQOSA-N 2 1 330.520 3.306 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000649551778 461169056 /nfs/dbraw/zinc/16/90/56/461169056.db2.gz KNLMZMXJONHJBC-KRWDZBQOSA-N 2 1 330.520 3.306 20 0 EGADMP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294183 461173372 /nfs/dbraw/zinc/17/33/72/461173372.db2.gz PQHWEZSYFWBPCG-AEFFLSMTSA-N 2 1 339.487 3.040 20 0 EGADMP [NH3+]CCOCC[N@@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000662310245 461182795 /nfs/dbraw/zinc/18/27/95/461182795.db2.gz IPTQLCQVDXWOBH-QGZVFWFLSA-N 2 1 336.888 3.324 20 0 EGADMP [NH3+]CCOCC[N@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000662310245 461182802 /nfs/dbraw/zinc/18/28/02/461182802.db2.gz IPTQLCQVDXWOBH-QGZVFWFLSA-N 2 1 336.888 3.324 20 0 EGADMP Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c(C)c1C ZINC000662316403 461187844 /nfs/dbraw/zinc/18/78/44/461187844.db2.gz VXOMUMPVLWDLTB-MLGOLLRUSA-N 2 1 337.533 3.451 20 0 EGADMP CN(c1nc2ccc(F)cc2s1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000641370791 461231081 /nfs/dbraw/zinc/23/10/81/461231081.db2.gz HOTAXCVTHYNWFI-HNNXBMFYSA-N 2 1 348.491 3.040 20 0 EGADMP CN(c1nc2ccc(F)cc2s1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000641370791 461231092 /nfs/dbraw/zinc/23/10/92/461231092.db2.gz HOTAXCVTHYNWFI-HNNXBMFYSA-N 2 1 348.491 3.040 20 0 EGADMP C[NH2+][C@H](C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1cccc(Cl)c1Cl ZINC000662429835 461239311 /nfs/dbraw/zinc/23/93/11/461239311.db2.gz XSMVBWIAXDONFZ-HIFRSBDPSA-N 2 1 346.302 3.086 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638128475 461261668 /nfs/dbraw/zinc/26/16/68/461261668.db2.gz UJZZTDPTNXURKN-QAPCUYQASA-N 2 1 332.488 3.355 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638128475 461261670 /nfs/dbraw/zinc/26/16/70/461261670.db2.gz UJZZTDPTNXURKN-QAPCUYQASA-N 2 1 332.488 3.355 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638128475 461261674 /nfs/dbraw/zinc/26/16/74/461261674.db2.gz UJZZTDPTNXURKN-QAPCUYQASA-N 2 1 332.488 3.355 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638128475 461261678 /nfs/dbraw/zinc/26/16/78/461261678.db2.gz UJZZTDPTNXURKN-QAPCUYQASA-N 2 1 332.488 3.355 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000633802790 461278753 /nfs/dbraw/zinc/27/87/53/461278753.db2.gz JVZFNJZSHDUUFG-ZHALLVOQSA-N 2 1 345.531 3.037 20 0 EGADMP CCN(CCC[NH+](C)C)C(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662534543 461286299 /nfs/dbraw/zinc/28/62/99/461286299.db2.gz DEQZZOUEIWDNLA-HNNXBMFYSA-N 2 1 346.302 3.054 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000638178101 461291900 /nfs/dbraw/zinc/29/19/00/461291900.db2.gz FMOLIXQZIMUFGN-PFAUGDHASA-N 2 1 328.500 3.364 20 0 EGADMP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000633953994 461351730 /nfs/dbraw/zinc/35/17/30/461351730.db2.gz IJFHFPSCUNDOCN-IBGZPJMESA-N 2 1 347.547 3.260 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633956627 461355009 /nfs/dbraw/zinc/35/50/09/461355009.db2.gz IVGVCZMKWKZKFH-QGZVFWFLSA-N 2 1 346.519 3.264 20 0 EGADMP CCN(CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(C)c1 ZINC000655683344 461359147 /nfs/dbraw/zinc/35/91/47/461359147.db2.gz QOKPMWMPNGODTI-NRFANRHFSA-N 2 1 345.531 3.054 20 0 EGADMP c1ccc2c(c1)CCC[C@@H]2C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655695617 461368062 /nfs/dbraw/zinc/36/80/62/461368062.db2.gz OJQCAYMWJPCBHE-QUCCMNQESA-N 2 1 328.500 3.340 20 0 EGADMP CC(C)c1ccc(OCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655702214 461373233 /nfs/dbraw/zinc/37/32/33/461373233.db2.gz ZSEKFIMSHMRLGZ-OAQYLSRUSA-N 2 1 346.515 3.422 20 0 EGADMP c1c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)sc2c1CCCC2 ZINC000655702360 461373751 /nfs/dbraw/zinc/37/37/51/461373751.db2.gz UVGQWKYOTMUGKC-KRWDZBQOSA-N 2 1 334.529 3.360 20 0 EGADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000655703689 461374454 /nfs/dbraw/zinc/37/44/54/461374454.db2.gz JTBHNHUIZKNXEP-GOSISDBHSA-N 2 1 336.907 3.461 20 0 EGADMP Cc1ccccc1C1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655707854 461378803 /nfs/dbraw/zinc/37/88/03/461378803.db2.gz GDWBYQVGGAYNDN-IBGZPJMESA-N 2 1 328.500 3.260 20 0 EGADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000641801717 461380335 /nfs/dbraw/zinc/38/03/35/461380335.db2.gz FLBPYGOZFCEXPW-PMACEKPBSA-N 2 1 349.478 3.165 20 0 EGADMP COc1ccc([C@@H](C)CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655715455 461385436 /nfs/dbraw/zinc/38/54/36/461385436.db2.gz KLJKADGFIIAYRZ-QFBILLFUSA-N 2 1 332.488 3.032 20 0 EGADMP CCO[C@H](CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCC1 ZINC000655717856 461387235 /nfs/dbraw/zinc/38/72/35/461387235.db2.gz DYOGNPNANMMJCC-WOJBJXKFSA-N 2 1 338.536 3.205 20 0 EGADMP CCCOc1cccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655734375 461403638 /nfs/dbraw/zinc/40/36/38/461403638.db2.gz HCIZAJMMYDEHDN-NRFANRHFSA-N 2 1 346.515 3.251 20 0 EGADMP C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000668740172 461409837 /nfs/dbraw/zinc/40/98/37/461409837.db2.gz QUDQKFSAOKBVKB-HBMCJLEFSA-N 2 1 328.500 3.028 20 0 EGADMP Nc1c(F)cccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000638447924 461434198 /nfs/dbraw/zinc/43/41/98/461434198.db2.gz PHKZNEXHTYAWLA-CQSZACIVSA-N 2 1 333.476 3.471 20 0 EGADMP Nc1c(F)cccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000638447924 461434204 /nfs/dbraw/zinc/43/42/04/461434204.db2.gz PHKZNEXHTYAWLA-CQSZACIVSA-N 2 1 333.476 3.471 20 0 EGADMP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc2ccccc21 ZINC000655772253 461438939 /nfs/dbraw/zinc/43/89/39/461438939.db2.gz LFWMEKZDAVDVMV-IBGZPJMESA-N 2 1 340.467 3.191 20 0 EGADMP CC(C)O[C@@H](C[NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000638563702 461486169 /nfs/dbraw/zinc/48/61/69/461486169.db2.gz BLCLGQCOCXOVQH-NRFANRHFSA-N 2 1 347.547 3.016 20 0 EGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC1 ZINC000655839998 461489463 /nfs/dbraw/zinc/48/94/63/461489463.db2.gz BTUPMGZXJWNJNL-DVMWJLJYSA-N 2 1 328.500 3.277 20 0 EGADMP C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638587423 461495814 /nfs/dbraw/zinc/49/58/14/461495814.db2.gz CKXMLQISTJQCFT-QFUCXCTJSA-N 2 1 327.516 3.286 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638587423 461495824 /nfs/dbraw/zinc/49/58/24/461495824.db2.gz CKXMLQISTJQCFT-QFUCXCTJSA-N 2 1 327.516 3.286 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638587423 461495833 /nfs/dbraw/zinc/49/58/33/461495833.db2.gz CKXMLQISTJQCFT-QFUCXCTJSA-N 2 1 327.516 3.286 20 0 EGADMP CCC[C@@H](C[NH2+]CC1CC[NH+](Cc2csc(CC)n2)CC1)OC ZINC000638624008 461507454 /nfs/dbraw/zinc/50/74/54/461507454.db2.gz WBONQCVOCCKQOU-KRWDZBQOSA-N 2 1 339.549 3.322 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc(CCOC)s2)c1 ZINC000631066156 461516611 /nfs/dbraw/zinc/51/66/11/461516611.db2.gz ZFIFAMRFAXSICA-UHFFFAOYSA-N 2 1 333.501 3.074 20 0 EGADMP COc1ccccc1N1CCC([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000631065999 461517845 /nfs/dbraw/zinc/51/78/45/461517845.db2.gz QXRLGHVLWXINQN-UHFFFAOYSA-N 2 1 331.504 3.128 20 0 EGADMP COc1ccccc1N1CCC([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000631065999 461517853 /nfs/dbraw/zinc/51/78/53/461517853.db2.gz QXRLGHVLWXINQN-UHFFFAOYSA-N 2 1 331.504 3.128 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CO)cc2)[C@H]1c1cccs1 ZINC000638670783 461525822 /nfs/dbraw/zinc/52/58/22/461525822.db2.gz KNBNKSVQCNALPY-HKUYNNGSSA-N 2 1 330.497 3.413 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CO)cc2)[C@H]1c1cccs1 ZINC000638670783 461525833 /nfs/dbraw/zinc/52/58/33/461525833.db2.gz KNBNKSVQCNALPY-HKUYNNGSSA-N 2 1 330.497 3.413 20 0 EGADMP CC[N@@H+](CCCNC(=O)C[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000653200371 461554492 /nfs/dbraw/zinc/55/44/92/461554492.db2.gz BWBSAUKPNKGGGO-LJQANCHMSA-N 2 1 331.504 3.237 20 0 EGADMP c1nc([C@H]2CCCO2)sc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345637 461573139 /nfs/dbraw/zinc/57/31/39/461573139.db2.gz MFBRCMMCDGYTDC-NVXWUHKLSA-N 2 1 335.517 3.206 20 0 EGADMP c1nc([C@H]2CCCO2)sc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345637 461573150 /nfs/dbraw/zinc/57/31/50/461573150.db2.gz MFBRCMMCDGYTDC-NVXWUHKLSA-N 2 1 335.517 3.206 20 0 EGADMP COC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000638781683 461576542 /nfs/dbraw/zinc/57/65/42/461576542.db2.gz HWWSOIQTEZORIS-UYAOXDASSA-N 2 1 344.499 3.140 20 0 EGADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000638781683 461576549 /nfs/dbraw/zinc/57/65/49/461576549.db2.gz HWWSOIQTEZORIS-UYAOXDASSA-N 2 1 344.499 3.140 20 0 EGADMP c1ccc([C@H]2C[C@@H](NCCC[NH+]3CCCC3)CC[N@H+]2C2CC2)cc1 ZINC000638849275 461615394 /nfs/dbraw/zinc/61/53/94/461615394.db2.gz RSWHSQLAAASUBZ-PZJWPPBQSA-N 3 1 327.516 3.430 20 0 EGADMP Cc1cc(C)c(/C=C/C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1 ZINC000631177630 461615712 /nfs/dbraw/zinc/61/57/12/461615712.db2.gz MHAKADRAEBDYHF-DPZZJQGRSA-N 2 1 328.500 3.468 20 0 EGADMP CC(C)C[N@@H+](C)CCCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000650236656 461654688 /nfs/dbraw/zinc/65/46/88/461654688.db2.gz BRDXLQMXJOWNSO-IBGZPJMESA-N 2 1 346.519 3.335 20 0 EGADMP c1nc([C@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C2CCCCC2)n[nH]1 ZINC000663466722 461655604 /nfs/dbraw/zinc/65/56/04/461655604.db2.gz XHGJHOWFXMPHAY-FUHWJXTLSA-N 2 1 331.508 3.138 20 0 EGADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470136 461659113 /nfs/dbraw/zinc/65/91/13/461659113.db2.gz SJSUZGZVYTUAEA-HKUYNNGSSA-N 2 1 343.515 3.424 20 0 EGADMP OCC[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000643296930 461672684 /nfs/dbraw/zinc/67/26/84/461672684.db2.gz HEHWPKNGUJMBFQ-IBGZPJMESA-N 2 1 346.515 3.146 20 0 EGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+]([C@@H](c3nccn3C)C3CC3)C1)CCCC2 ZINC000639077427 461713987 /nfs/dbraw/zinc/71/39/87/461713987.db2.gz WWWZGAGTLYOIPM-QFBILLFUSA-N 2 1 339.487 3.202 20 0 EGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@@H](c3nccn3C)C3CC3)C1)CCCC2 ZINC000639077427 461713991 /nfs/dbraw/zinc/71/39/91/461713991.db2.gz WWWZGAGTLYOIPM-QFBILLFUSA-N 2 1 339.487 3.202 20 0 EGADMP CC[C@H]1C[N@H+](Cc2ccccc2OCc2cccnc2)CC[C@H]1[NH3+] ZINC000647497667 461736788 /nfs/dbraw/zinc/73/67/88/461736788.db2.gz PPOXVJKJFPATTJ-PKOBYXMFSA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccccc2OCc2cccnc2)CC[C@H]1[NH3+] ZINC000647497667 461736794 /nfs/dbraw/zinc/73/67/94/461736794.db2.gz PPOXVJKJFPATTJ-PKOBYXMFSA-N 2 1 325.456 3.220 20 0 EGADMP CCOc1cc(C[NH+]2CCC(C)([NH3+])CC2)ccc1OCC(F)(F)F ZINC000647530813 461748691 /nfs/dbraw/zinc/74/86/91/461748691.db2.gz HSCIGFUEMNSZMM-UHFFFAOYSA-N 2 1 346.393 3.340 20 0 EGADMP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522665 461752621 /nfs/dbraw/zinc/75/26/21/461752621.db2.gz RJYPCEHRAMAQDG-HZMBPMFUSA-N 2 1 327.241 3.307 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CC45CC[NH2+]CC5)[C@@H]3C2)cc1 ZINC000643535017 461754915 /nfs/dbraw/zinc/75/49/15/461754915.db2.gz HICPTVJLXYOWQS-WOZUAGRISA-N 3 1 339.527 3.019 20 0 EGADMP Clc1ccc2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cn2c1 ZINC000647542710 461754917 /nfs/dbraw/zinc/75/49/17/461754917.db2.gz AMQSPWQDBZZSNA-GJZGRUSLSA-N 2 1 332.879 3.199 20 0 EGADMP Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(-c2cccs2)n1 ZINC000647543501 461757382 /nfs/dbraw/zinc/75/73/82/461757382.db2.gz OKRCDKNFSWSMOG-CVEARBPZSA-N 2 1 344.528 3.360 20 0 EGADMP Brc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543043 461757551 /nfs/dbraw/zinc/75/75/51/461757551.db2.gz GXDFBRALKSRJME-UONOGXRCSA-N 2 1 338.293 3.056 20 0 EGADMP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543923 461760045 /nfs/dbraw/zinc/76/00/45/461760045.db2.gz ULIJWMLVZHHYDQ-HUUCEWRRSA-N 2 1 330.501 3.350 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)CC1 ZINC000669692210 461768838 /nfs/dbraw/zinc/76/88/38/461768838.db2.gz GYMDLUZWMLMGEX-JKSUJKDBSA-N 2 1 335.458 3.065 20 0 EGADMP OC[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CCCC1 ZINC000639194857 461796629 /nfs/dbraw/zinc/79/66/29/461796629.db2.gz NNSBKRQXSDYONK-GIVPXCGWSA-N 2 1 328.500 3.495 20 0 EGADMP OC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CCCC1 ZINC000639194857 461796636 /nfs/dbraw/zinc/79/66/36/461796636.db2.gz NNSBKRQXSDYONK-GIVPXCGWSA-N 2 1 328.500 3.495 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CC[C@]3(C1)CCC[NH+](C)C3)CC2 ZINC000639208614 461803536 /nfs/dbraw/zinc/80/35/36/461803536.db2.gz ZFCGWLYEZRBGFO-FXAWDEMLSA-N 2 1 330.472 3.109 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([N@H+]1CC[C@]3(C1)CCC[NH+](C)C3)CC2 ZINC000639208614 461803541 /nfs/dbraw/zinc/80/35/41/461803541.db2.gz ZFCGWLYEZRBGFO-FXAWDEMLSA-N 2 1 330.472 3.109 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH+]1CC[C@]3(C1)CCC[N@H+](C)C3)CC2 ZINC000639208614 461803548 /nfs/dbraw/zinc/80/35/48/461803548.db2.gz ZFCGWLYEZRBGFO-FXAWDEMLSA-N 2 1 330.472 3.109 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH+]1CC[C@]3(C1)CCC[N@@H+](C)C3)CC2 ZINC000639208614 461803553 /nfs/dbraw/zinc/80/35/53/461803553.db2.gz ZFCGWLYEZRBGFO-FXAWDEMLSA-N 2 1 330.472 3.109 20 0 EGADMP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000647878161 461866673 /nfs/dbraw/zinc/86/66/73/461866673.db2.gz RJHVOCSQIDVAED-CQSZACIVSA-N 2 1 341.484 3.286 20 0 EGADMP Clc1ccc(-c2noc([C@H]3CCC[N@@H+](C[C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000647883996 461870197 /nfs/dbraw/zinc/87/01/97/461870197.db2.gz SOWHTWCDMBSIJI-HIFRSBDPSA-N 2 1 346.862 3.179 20 0 EGADMP c1cc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)ccc1C[NH+]1CCOCC1 ZINC000653811645 461874348 /nfs/dbraw/zinc/87/43/48/461874348.db2.gz SEXVCXGVTAVEQB-NRFANRHFSA-N 2 1 344.499 3.052 20 0 EGADMP c1cc(C[N@H+]2CCC[C@H](OC3CCC3)C2)ccc1C[NH+]1CCOCC1 ZINC000653811645 461874355 /nfs/dbraw/zinc/87/43/55/461874355.db2.gz SEXVCXGVTAVEQB-NRFANRHFSA-N 2 1 344.499 3.052 20 0 EGADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)on1 ZINC000660623010 461885999 /nfs/dbraw/zinc/88/59/99/461885999.db2.gz KKLJAQJOVBSJSI-UHFFFAOYSA-N 2 1 341.455 3.171 20 0 EGADMP CC[C@@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000647934428 461893185 /nfs/dbraw/zinc/89/31/85/461893185.db2.gz FCVCDTUJQGYKLV-UYAOXDASSA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000647934428 461893191 /nfs/dbraw/zinc/89/31/91/461893191.db2.gz FCVCDTUJQGYKLV-UYAOXDASSA-N 2 1 325.456 3.220 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3c(F)cccc3Cl)C2)C1 ZINC000650705638 461898529 /nfs/dbraw/zinc/89/85/29/461898529.db2.gz OQVHFGWTXYGVRX-PBFPGSCMSA-N 2 1 326.843 3.197 20 0 EGADMP CC1(C)Cc2cc(C[N@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)ccc2O1 ZINC000650707435 461901983 /nfs/dbraw/zinc/90/19/83/461901983.db2.gz GDZUQVWZXIXHRH-ILZDJORESA-N 2 1 344.499 3.118 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000650709587 461902488 /nfs/dbraw/zinc/90/24/88/461902488.db2.gz HACFIEHTMXNBIM-RXVVDRJESA-N 2 1 337.467 3.221 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1OCC(F)(F)F)C2 ZINC000650709336 461904111 /nfs/dbraw/zinc/90/41/11/461904111.db2.gz SMNRPRNKLHAKED-HOCLYGCPSA-N 2 1 328.378 3.189 20 0 EGADMP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998229 461906092 /nfs/dbraw/zinc/90/60/92/461906092.db2.gz IUGNIXHAVYOTMJ-CQSZACIVSA-N 2 1 339.277 3.222 20 0 EGADMP [NH3+]Cc1ccc(C[NH2+]Cc2c(F)cccc2N2CCCC2)c(F)c1 ZINC000650718684 461911414 /nfs/dbraw/zinc/91/14/14/461911414.db2.gz SVKOGBCOGYAVPU-UHFFFAOYSA-N 2 1 331.410 3.314 20 0 EGADMP COc1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650722234 461914634 /nfs/dbraw/zinc/91/46/34/461914634.db2.gz NRTPMRGUXRYASW-NUJGCVRESA-N 2 1 338.879 3.209 20 0 EGADMP Cc1ccc2cc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)ccc2n1 ZINC000650723349 461915024 /nfs/dbraw/zinc/91/50/24/461915024.db2.gz MGWDQDKXGWKJIE-CEWLAPEOSA-N 2 1 339.483 3.404 20 0 EGADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647974968 461917371 /nfs/dbraw/zinc/91/73/71/461917371.db2.gz DRDZJZMQNOKIGO-OWCLPIDISA-N 2 1 349.906 3.379 20 0 EGADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975091 461917474 /nfs/dbraw/zinc/91/74/74/461917474.db2.gz KROAWVIXSNPXCA-UHOSZYNNSA-N 2 1 343.515 3.288 20 0 EGADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977078 461918789 /nfs/dbraw/zinc/91/87/89/461918789.db2.gz XRERDIUIJVBGKZ-RBUKOAKNSA-N 2 1 344.499 3.500 20 0 EGADMP Cc1cccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647978277 461920392 /nfs/dbraw/zinc/92/03/92/461920392.db2.gz PGVWYYALQCHHPO-QZTJIDSGSA-N 2 1 340.471 3.257 20 0 EGADMP Cc1ccccc1-c1nc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)no1 ZINC000647977704 461921161 /nfs/dbraw/zinc/92/11/61/461921161.db2.gz GMMFHRLCZLUEGQ-SJORKVTESA-N 2 1 340.471 3.257 20 0 EGADMP Cc1ccccc1-c1nc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)no1 ZINC000647977704 461921162 /nfs/dbraw/zinc/92/11/62/461921162.db2.gz GMMFHRLCZLUEGQ-SJORKVTESA-N 2 1 340.471 3.257 20 0 EGADMP COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1OC ZINC000650753706 461934759 /nfs/dbraw/zinc/93/47/59/461934759.db2.gz TVIWYYQQEJZNAV-LLVKDONJSA-N 2 1 336.382 3.292 20 0 EGADMP Cc1cc2cc(C[N@@H+]3CCOC4(CC[NH+](C)CC4)C3)oc2cc1C ZINC000648071588 461968271 /nfs/dbraw/zinc/96/82/71/461968271.db2.gz JSBXNQAJYZWTSR-UHFFFAOYSA-N 2 1 328.456 3.346 20 0 EGADMP Cc1cc2cc(C[N@H+]3CCOC4(CC[NH+](C)CC4)C3)oc2cc1C ZINC000648071588 461968275 /nfs/dbraw/zinc/96/82/75/461968275.db2.gz JSBXNQAJYZWTSR-UHFFFAOYSA-N 2 1 328.456 3.346 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000644548519 461981228 /nfs/dbraw/zinc/98/12/28/461981228.db2.gz RJGQHLCQTRXPIA-ORFBVSJDSA-N 2 1 338.495 3.189 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000644548519 461981237 /nfs/dbraw/zinc/98/12/37/461981237.db2.gz RJGQHLCQTRXPIA-ORFBVSJDSA-N 2 1 338.495 3.189 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000657293705 462023030 /nfs/dbraw/zinc/02/30/30/462023030.db2.gz UBAQNNVICURQQG-ROUUACIJSA-N 2 1 334.504 3.454 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1c(C2CC2)cnn1C ZINC000657308101 462032612 /nfs/dbraw/zinc/03/26/12/462032612.db2.gz NILDPIXWPSFJLN-UHFFFAOYSA-N 2 1 326.488 3.428 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc4n3CCC4)cc2)C1 ZINC000657310904 462034845 /nfs/dbraw/zinc/03/48/45/462034845.db2.gz RMSJYYHDGRDTGB-QGZVFWFLSA-N 2 1 338.499 3.351 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnn1CC1CC1 ZINC000657386526 462090073 /nfs/dbraw/zinc/09/00/73/462090073.db2.gz HOCNFSHEFFALHJ-UWJYYQICSA-N 2 1 338.499 3.293 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnn1CC1CC1 ZINC000657386526 462090080 /nfs/dbraw/zinc/09/00/80/462090080.db2.gz HOCNFSHEFFALHJ-UWJYYQICSA-N 2 1 338.499 3.293 20 0 EGADMP CCCc1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c2ccccc2[nH+]1 ZINC000664598341 462119871 /nfs/dbraw/zinc/11/98/71/462119871.db2.gz HEQQRBKHBPIEED-SFHVURJKSA-N 2 1 339.483 3.223 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)CC[N@H+]1C ZINC000648735474 462250977 /nfs/dbraw/zinc/25/09/77/462250977.db2.gz SFQCADWTGVFOCC-MBOZVWFJSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC[NH+]1C ZINC000648735474 462250979 /nfs/dbraw/zinc/25/09/79/462250979.db2.gz SFQCADWTGVFOCC-MBOZVWFJSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC[NH+]1C ZINC000648735474 462250983 /nfs/dbraw/zinc/25/09/83/462250983.db2.gz SFQCADWTGVFOCC-MBOZVWFJSA-N 2 1 343.515 3.017 20 0 EGADMP CO[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1(C)C ZINC000648742505 462256986 /nfs/dbraw/zinc/25/69/86/462256986.db2.gz VNEUFTMWIFBDPQ-HXUWFJFHSA-N 2 1 346.515 3.408 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000648753131 462262426 /nfs/dbraw/zinc/26/24/26/462262426.db2.gz DJKFSZHHDNMJRV-KRWDZBQOSA-N 2 1 346.519 3.121 20 0 EGADMP Cc1ccc2c(C)cc(N3CCOC4(CC[NH+](C)CC4)C3)[nH+]c2c1 ZINC000645388186 462309790 /nfs/dbraw/zinc/30/97/90/462309790.db2.gz ZAXPJMRFYFPREY-UHFFFAOYSA-N 2 1 325.456 3.153 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnnn1-c1ccccc1 ZINC000651750486 462324300 /nfs/dbraw/zinc/32/43/00/462324300.db2.gz KSRRERJNTRLZOC-UHFFFAOYSA-N 2 1 349.482 3.397 20 0 EGADMP COc1cc2ccc([C@H](C)[NH2+]CCc3c[nH+]cn3C)cc2cc1OC ZINC000657980350 462335925 /nfs/dbraw/zinc/33/59/25/462335925.db2.gz BYNQISXGGUFTFR-AWEZNQCLSA-N 2 1 339.439 3.484 20 0 EGADMP CC[N@H+](Cc1cnnn1-c1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000651808259 462343182 /nfs/dbraw/zinc/34/31/82/462343182.db2.gz KLYSOLFZYBGBNO-UHFFFAOYSA-N 2 1 349.482 3.351 20 0 EGADMP CC[N@@H+](Cc1cnnn1-c1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000651808259 462343185 /nfs/dbraw/zinc/34/31/85/462343185.db2.gz KLYSOLFZYBGBNO-UHFFFAOYSA-N 2 1 349.482 3.351 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2Cl)C1)c1c[nH+]ccc1N ZINC000665233635 462362156 /nfs/dbraw/zinc/36/21/56/462362156.db2.gz MDWNRSZTNFGFDR-UONOGXRCSA-N 2 1 330.863 3.325 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)CC2 ZINC000665251379 462369188 /nfs/dbraw/zinc/36/91/88/462369188.db2.gz NYXSQNCHHYVOHT-CEMLEFRQSA-N 2 1 336.479 3.288 20 0 EGADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000665273042 462378879 /nfs/dbraw/zinc/37/88/79/462378879.db2.gz PHQDXUKFENUGNR-JSXRDJHFSA-N 2 1 338.499 3.214 20 0 EGADMP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1ccccc1Cl ZINC000640532751 462432285 /nfs/dbraw/zinc/43/22/85/462432285.db2.gz JJGMBUYJURJQOZ-UHFFFAOYSA-N 2 1 337.895 3.476 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1ccccc1Cl ZINC000640532751 462432289 /nfs/dbraw/zinc/43/22/89/462432289.db2.gz JJGMBUYJURJQOZ-UHFFFAOYSA-N 2 1 337.895 3.476 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000649288373 462467605 /nfs/dbraw/zinc/46/76/05/462467605.db2.gz MZFLJZDNZLNEAI-INIZCTEOSA-N 2 1 331.504 3.052 20 0 EGADMP C[NH+](C)[C@@H](CNc1cc[nH+]c(N2CCCCC2)n1)Cc1ccccc1 ZINC000544679442 485555756 /nfs/dbraw/zinc/55/57/56/485555756.db2.gz FSCSLYNMIHLBEI-GOSISDBHSA-N 2 1 339.487 3.052 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000174294931 528198036 /nfs/dbraw/zinc/19/80/36/528198036.db2.gz FQWRUFSASWIDKI-PXNSSMCTSA-N 2 1 345.531 3.495 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000158818547 528204255 /nfs/dbraw/zinc/20/42/55/528204255.db2.gz MVEYCINWODFZSB-OAHLLOKOSA-N 2 1 338.517 3.005 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CC2(C[NH3+])CCCCC2)c1 ZINC000184228378 528833892 /nfs/dbraw/zinc/83/38/92/528833892.db2.gz HLEQYZMOJCYQRX-UHFFFAOYSA-N 2 1 345.531 3.442 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(C(=O)N(C)C)c1 ZINC000191498222 528866753 /nfs/dbraw/zinc/86/67/53/528866753.db2.gz CCTCZQLOZWCWBJ-UHFFFAOYSA-N 2 1 342.487 3.060 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(C(=O)N(C)C)c1 ZINC000191498222 528866758 /nfs/dbraw/zinc/86/67/58/528866758.db2.gz CCTCZQLOZWCWBJ-UHFFFAOYSA-N 2 1 342.487 3.060 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC000191456760 529041026 /nfs/dbraw/zinc/04/10/26/529041026.db2.gz HSOYSGRWSQGRMD-HXUWFJFHSA-N 2 1 333.495 3.379 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000181944646 529143502 /nfs/dbraw/zinc/14/35/02/529143502.db2.gz SPEXLHSYMHCGHF-IBGZPJMESA-N 2 1 349.494 3.047 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000246736162 535213439 /nfs/dbraw/zinc/21/34/39/535213439.db2.gz QETBHJSQMWVEPY-KURKYZTESA-N 2 1 337.552 3.218 20 0 EGADMP CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000338051046 535589442 /nfs/dbraw/zinc/58/94/42/535589442.db2.gz BVFONPBKFANVKF-KRWDZBQOSA-N 2 1 333.520 3.377 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)[C@@H](C)C1 ZINC000268801491 535770021 /nfs/dbraw/zinc/77/00/21/535770021.db2.gz HQKSKUBYANEXQU-PXNSSMCTSA-N 2 1 339.483 3.481 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)[C@@H](C)C1 ZINC000268801491 535770026 /nfs/dbraw/zinc/77/00/26/535770026.db2.gz HQKSKUBYANEXQU-PXNSSMCTSA-N 2 1 339.483 3.481 20 0 EGADMP Cc1cnc(C(C)(C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000080346563 546599099 /nfs/dbraw/zinc/59/90/99/546599099.db2.gz MUVYPRRNKRUHNJ-UHFFFAOYSA-N 2 1 333.501 3.417 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563680 546685005 /nfs/dbraw/zinc/68/50/05/546685005.db2.gz LETFWLWQQPIRME-FQEVSTJZSA-N 3 1 345.531 3.077 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563680 546685009 /nfs/dbraw/zinc/68/50/09/546685009.db2.gz LETFWLWQQPIRME-FQEVSTJZSA-N 3 1 345.531 3.077 20 0 EGADMP CCOC[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000093839442 546687811 /nfs/dbraw/zinc/68/78/11/546687811.db2.gz QBGFLACPMHITOJ-LJQANCHMSA-N 2 1 332.488 3.020 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@H](c2c(F)cccc2F)N(C)C)CC1 ZINC000120670031 546716803 /nfs/dbraw/zinc/71/68/03/546716803.db2.gz ANMUUHTYIAURLQ-QGZVFWFLSA-N 2 1 325.447 3.032 20 0 EGADMP FC(F)CN1CCC([NH2+]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000159229467 546935458 /nfs/dbraw/zinc/93/54/58/546935458.db2.gz HYNIANPJKUQATD-SFHVURJKSA-N 2 1 343.506 3.350 20 0 EGADMP FC(F)CN1CCC([NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000159229467 546935464 /nfs/dbraw/zinc/93/54/64/546935464.db2.gz HYNIANPJKUQATD-SFHVURJKSA-N 2 1 343.506 3.350 20 0 EGADMP c1cc(N2CCCCCC2)ncc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166193896 546988494 /nfs/dbraw/zinc/98/84/94/546988494.db2.gz DKRMHDUQRNARCD-RBUKOAKNSA-N 2 1 328.504 3.178 20 0 EGADMP c1cc(N2CCCCCC2)ncc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166193896 546988497 /nfs/dbraw/zinc/98/84/97/546988497.db2.gz DKRMHDUQRNARCD-RBUKOAKNSA-N 2 1 328.504 3.178 20 0 EGADMP Cc1nc2ccccc2nc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179171522 547043931 /nfs/dbraw/zinc/04/39/31/547043931.db2.gz NXONGUMRGLEKOU-IERDGZPVSA-N 2 1 336.483 3.387 20 0 EGADMP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179171522 547043938 /nfs/dbraw/zinc/04/39/38/547043938.db2.gz NXONGUMRGLEKOU-IERDGZPVSA-N 2 1 336.483 3.387 20 0 EGADMP Cc1nc2ccccc2nc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179171522 547043957 /nfs/dbraw/zinc/04/39/57/547043957.db2.gz NXONGUMRGLEKOU-IERDGZPVSA-N 2 1 336.483 3.387 20 0 EGADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1F ZINC000192679103 547202392 /nfs/dbraw/zinc/20/23/92/547202392.db2.gz ZQPSTXOFRQGIRP-SFHVURJKSA-N 2 1 342.458 3.489 20 0 EGADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1F ZINC000192679103 547202403 /nfs/dbraw/zinc/20/24/03/547202403.db2.gz ZQPSTXOFRQGIRP-SFHVURJKSA-N 2 1 342.458 3.489 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)CC2 ZINC000280113152 547370054 /nfs/dbraw/zinc/37/00/54/547370054.db2.gz NSOQJXPXBKTCSI-YJBOKZPZSA-N 2 1 332.488 3.401 20 0 EGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000339229431 547571557 /nfs/dbraw/zinc/57/15/57/547571557.db2.gz HSENUAHJDUETKR-GOSISDBHSA-N 2 1 345.531 3.409 20 0 EGADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000354329720 547705528 /nfs/dbraw/zinc/70/55/28/547705528.db2.gz LZJXLVYRMQUTTE-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000362517433 547769811 /nfs/dbraw/zinc/76/98/11/547769811.db2.gz ZSNWHMYIUTWWIQ-IBGZPJMESA-N 2 1 348.849 3.336 20 0 EGADMP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383508329 547821411 /nfs/dbraw/zinc/82/14/11/547821411.db2.gz KQZYVBBTRPMZRS-WFXMLNOXSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000383508329 547821414 /nfs/dbraw/zinc/82/14/14/547821414.db2.gz KQZYVBBTRPMZRS-WFXMLNOXSA-N 2 1 329.532 3.217 20 0 EGADMP CC[C@@]1(C)COCC[NH+]1CCCCC[N@@H+]1CCOC[C@]1(C)CC ZINC000535568237 548054381 /nfs/dbraw/zinc/05/43/81/548054381.db2.gz ZHYQKJSPJJTDHB-OALUTQOASA-N 2 1 326.525 3.159 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC(=O)NC2CCCC2)CC1 ZINC000671117625 548248982 /nfs/dbraw/zinc/24/89/82/548248982.db2.gz YNPGCBZBZIMLHY-UHFFFAOYSA-N 2 1 343.515 3.078 20 0 EGADMP C[C@@H](Cc1cccs1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000675724190 548968383 /nfs/dbraw/zinc/96/83/83/548968383.db2.gz KEDJQVFVUMPVPU-RDJZCZTQSA-N 2 1 349.569 3.319 20 0 EGADMP c1ccc(C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)cc1 ZINC000675881177 548996730 /nfs/dbraw/zinc/99/67/30/548996730.db2.gz KJFPJTFHWVWMBK-LEWJYISDSA-N 2 1 328.500 3.241 20 0 EGADMP C[C@@H](C[C@H]1CCOC1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000675935248 549006698 /nfs/dbraw/zinc/00/66/98/549006698.db2.gz FMXHJMMCVHLKSU-FUHWJXTLSA-N 2 1 334.479 3.237 20 0 EGADMP COc1ccc(COCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000676712498 549134083 /nfs/dbraw/zinc/13/40/83/549134083.db2.gz JPTLXJGSFLZXCG-NQIIRXRSSA-N 2 1 344.499 3.161 20 0 EGADMP COc1ccc(COCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000676712498 549134088 /nfs/dbraw/zinc/13/40/88/549134088.db2.gz JPTLXJGSFLZXCG-NQIIRXRSSA-N 2 1 344.499 3.161 20 0 EGADMP COc1ccc(COCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000676712498 549134094 /nfs/dbraw/zinc/13/40/94/549134094.db2.gz JPTLXJGSFLZXCG-NQIIRXRSSA-N 2 1 344.499 3.161 20 0 EGADMP Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1F ZINC000677237868 549235169 /nfs/dbraw/zinc/23/51/69/549235169.db2.gz OLCPYZFOCMDGFD-PMPSAXMXSA-N 2 1 335.442 3.008 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CCOc2ccc(F)cc2)cc1 ZINC000678127901 549404284 /nfs/dbraw/zinc/40/42/84/549404284.db2.gz JVQMXQGBLBXEMG-UHFFFAOYSA-N 2 1 346.446 3.277 20 0 EGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000678276383 549455938 /nfs/dbraw/zinc/45/59/38/549455938.db2.gz HHDBCQWQOVITLX-RTBURBONSA-N 2 1 334.504 3.262 20 0 EGADMP CN(c1ccccc1C[N@@H+](C)CCOC(C)(C)C)C1CC[NH+](C)CC1 ZINC000678284198 549459024 /nfs/dbraw/zinc/45/90/24/549459024.db2.gz SAENOBQZIMYBCF-UHFFFAOYSA-N 2 1 347.547 3.464 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000678610069 549531037 /nfs/dbraw/zinc/53/10/37/549531037.db2.gz FFMRJRBYOOURBK-CWPLJXCYSA-N 2 1 334.479 3.378 20 0 EGADMP CC(C)Oc1ccccc1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678719816 549547640 /nfs/dbraw/zinc/54/76/40/549547640.db2.gz OTDGRAXCIYMPRB-FQEVSTJZSA-N 2 1 345.531 3.074 20 0 EGADMP CC(C)Oc1ccccc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678719816 549547643 /nfs/dbraw/zinc/54/76/43/549547643.db2.gz OTDGRAXCIYMPRB-FQEVSTJZSA-N 2 1 345.531 3.074 20 0 EGADMP C[C@H]1CCc2ccccc2[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000678769650 549557185 /nfs/dbraw/zinc/55/71/85/549557185.db2.gz YLLBBDODTZLSMC-UWJYYQICSA-N 2 1 329.532 3.173 20 0 EGADMP C(C[NH+]1CCCC1)OC1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000678992243 549612346 /nfs/dbraw/zinc/61/23/46/549612346.db2.gz FUCAWONNTKYNSZ-UHFFFAOYSA-N 2 1 349.544 3.099 20 0 EGADMP OCc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000680144310 549827332 /nfs/dbraw/zinc/82/73/32/549827332.db2.gz MWTPLXXRGIFNHW-IOMROCGXSA-N 2 1 340.467 3.162 20 0 EGADMP OCc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000680144310 549827333 /nfs/dbraw/zinc/82/73/33/549827333.db2.gz MWTPLXXRGIFNHW-IOMROCGXSA-N 2 1 340.467 3.162 20 0 EGADMP Cc1cc(Cl)ccc1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681098754 549953902 /nfs/dbraw/zinc/95/39/02/549953902.db2.gz BYJQPKVBSRUXGY-IBGZPJMESA-N 2 1 335.923 3.249 20 0 EGADMP CC[NH+](CC)CCC[NH2+][C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000683140660 550195902 /nfs/dbraw/zinc/19/59/02/550195902.db2.gz FYTDTBUPAFNKQD-MRXNPFEDSA-N 2 1 332.410 3.234 20 0 EGADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000683818312 550264960 /nfs/dbraw/zinc/26/49/60/550264960.db2.gz GAHKWPWWMFDHLJ-FXAWDEMLSA-N 2 1 334.504 3.242 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C/C=C\c1ccc(F)c(F)c1 ZINC000685420462 550414488 /nfs/dbraw/zinc/41/44/88/550414488.db2.gz XKHVWCQEINXQRA-IJRNCKOKSA-N 2 1 336.426 3.162 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C/C=C\c1ccc(F)c(F)c1 ZINC000685420462 550414489 /nfs/dbraw/zinc/41/44/89/550414489.db2.gz XKHVWCQEINXQRA-IJRNCKOKSA-N 2 1 336.426 3.162 20 0 EGADMP CC[C@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457575 550419245 /nfs/dbraw/zinc/41/92/45/550419245.db2.gz FGNCGRMMCMDTHX-WIYYLYMNSA-N 2 1 329.532 3.281 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC000729348138 574844975 /nfs/dbraw/zinc/84/49/75/574844975.db2.gz MFTITTNIOKOPOA-CEXWTWQISA-N 2 1 335.536 3.116 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000734133124 575445443 /nfs/dbraw/zinc/44/54/43/575445443.db2.gz ASAZMKPIXYTVJI-FQEVSTJZSA-N 2 1 343.515 3.033 20 0 EGADMP C[NH+](C)CCC1CC[NH+](Cc2nnc(-c3cccc(F)c3)o2)CC1 ZINC000743843197 576816602 /nfs/dbraw/zinc/81/66/02/576816602.db2.gz PZFLWFHQJFCKHW-UHFFFAOYSA-N 2 1 332.423 3.039 20 0 EGADMP CC(C)c1[nH+]ccn1CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000744390973 576826942 /nfs/dbraw/zinc/82/69/42/576826942.db2.gz QOHCVAOCMRIDJH-UHFFFAOYSA-N 2 1 340.471 3.032 20 0 EGADMP CC(C)C[C@@H]1CC(=O)N(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000744430654 576827921 /nfs/dbraw/zinc/82/79/21/576827921.db2.gz GIZJJWGTDOSICL-HXUWFJFHSA-N 2 1 349.563 3.427 20 0 EGADMP C[C@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000079751263 1292573999 /nfs/dbraw/zinc/57/39/99/1292573999.db2.gz JKIKVUHEGIWGPM-LJQANCHMSA-N 2 1 329.532 3.363 20 0 EGADMP CCc1ncc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)s1 ZINC000084017493 1292697185 /nfs/dbraw/zinc/69/71/85/1292697185.db2.gz PTKPTTNAYDMMTG-HNNXBMFYSA-N 2 1 345.512 3.216 20 0 EGADMP CCc1ncc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)s1 ZINC000084017493 1292697196 /nfs/dbraw/zinc/69/71/96/1292697196.db2.gz PTKPTTNAYDMMTG-HNNXBMFYSA-N 2 1 345.512 3.216 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1SC(F)(F)F ZINC000843353198 1321504320 /nfs/dbraw/zinc/50/43/20/1321504320.db2.gz CWZFKBGYTPKCFY-ZYHUDNBSSA-N 2 1 334.407 3.476 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2csc3ccccc23)CC1 ZINC000105451238 1293036287 /nfs/dbraw/zinc/03/62/87/1293036287.db2.gz FKKNZUPBDYDIJB-UHFFFAOYSA-N 2 1 331.529 3.265 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)c1ccco1 ZINC000834501517 1293106639 /nfs/dbraw/zinc/10/66/39/1293106639.db2.gz BVCYPRBGUJZBKC-MTQWCTHYSA-N 2 1 340.467 3.346 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NC1CCC(C)([NH+]2CCC2)CC1)c1ccccc1 ZINC000834792228 1293149540 /nfs/dbraw/zinc/14/95/40/1293149540.db2.gz HHSLRDNCUGWKIB-OBXNSHGQSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000123833976 1293457318 /nfs/dbraw/zinc/45/73/18/1293457318.db2.gz JBXSUTHBDSFGRW-HXUWFJFHSA-N 2 1 332.488 3.208 20 0 EGADMP CC/C=C(/C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124608277 1293480095 /nfs/dbraw/zinc/48/00/95/1293480095.db2.gz BMYBFOAVESHSMS-FOQVZNEXSA-N 2 1 335.536 3.138 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000130726334 1293666829 /nfs/dbraw/zinc/66/68/29/1293666829.db2.gz XWPMVRUIVVUAFG-IAGOWNOFSA-N 2 1 339.524 3.098 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[NH2+]C(C)(C)C ZINC000145129574 1293868146 /nfs/dbraw/zinc/86/81/46/1293868146.db2.gz OPRBOBYNZRHGBL-MRXNPFEDSA-N 2 1 331.504 3.065 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)c(OC)cc2SC)C1 ZINC000153750692 1294027784 /nfs/dbraw/zinc/02/77/84/1294027784.db2.gz GABCDYWDDRIOHX-AWEZNQCLSA-N 2 1 338.517 3.247 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)c(OC)cc2SC)C1 ZINC000153750692 1294027790 /nfs/dbraw/zinc/02/77/90/1294027790.db2.gz GABCDYWDDRIOHX-AWEZNQCLSA-N 2 1 338.517 3.247 20 0 EGADMP CCn1nccc1C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000160000920 1294254071 /nfs/dbraw/zinc/25/40/71/1294254071.db2.gz DHXRMASRTRXSON-UHFFFAOYSA-N 2 1 326.488 3.425 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000172799870 1294444575 /nfs/dbraw/zinc/44/45/75/1294444575.db2.gz BVEXQMBTLYGYHQ-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cn2cc[nH]c2=S)CC1 ZINC000173336995 1294459595 /nfs/dbraw/zinc/45/95/95/1294459595.db2.gz KAVTVNBXBBBLKW-UHFFFAOYSA-N 2 1 330.501 3.347 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cn2cc[nH]c2=S)CC1 ZINC000173336995 1294459600 /nfs/dbraw/zinc/45/96/00/1294459600.db2.gz KAVTVNBXBBBLKW-UHFFFAOYSA-N 2 1 330.501 3.347 20 0 EGADMP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1O ZINC000187187706 1295373650 /nfs/dbraw/zinc/37/36/50/1295373650.db2.gz UIVCZWKBHHHJQK-QWHCGFSZSA-N 2 1 341.293 3.456 20 0 EGADMP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000870891722 1296131816 /nfs/dbraw/zinc/13/18/16/1296131816.db2.gz JGSVONFGWIUOHM-NBYUQASBSA-N 2 1 343.515 3.015 20 0 EGADMP CC[N@@H+]1CCCC[C@@H]1CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000236823612 1296205355 /nfs/dbraw/zinc/20/53/55/1296205355.db2.gz MMJFMMGOFJNPLU-HXUWFJFHSA-N 2 1 345.531 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000236823612 1296205365 /nfs/dbraw/zinc/20/53/65/1296205365.db2.gz MMJFMMGOFJNPLU-HXUWFJFHSA-N 2 1 345.531 3.125 20 0 EGADMP COc1cc2c(c(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1)O[C@@H](C)C2 ZINC000237232126 1296228932 /nfs/dbraw/zinc/22/89/32/1296228932.db2.gz NEXWUQWEDLPZSI-KBXCAEBGSA-N 2 1 334.504 3.475 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237520269 1296248171 /nfs/dbraw/zinc/24/81/71/1296248171.db2.gz BZGGJRBUNWLRQW-SQGPQFPESA-N 2 1 343.515 3.195 20 0 EGADMP Clc1ccc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000261646946 1296597302 /nfs/dbraw/zinc/59/73/02/1296597302.db2.gz JBVIUZUWPDFCMT-MRXNPFEDSA-N 2 1 346.862 3.354 20 0 EGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2)C1)C1CCCC1 ZINC000872157834 1296775304 /nfs/dbraw/zinc/77/53/04/1296775304.db2.gz RJYGKEQCHYSOAN-QFBILLFUSA-N 2 1 329.488 3.245 20 0 EGADMP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157386 1296776222 /nfs/dbraw/zinc/77/62/22/1296776222.db2.gz MZZMPYQKJRHLTB-GJYPPUQNSA-N 2 1 335.536 3.053 20 0 EGADMP CC(C)(C)n1cc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)nn1 ZINC000872158040 1296777394 /nfs/dbraw/zinc/77/73/94/1296777394.db2.gz SBOSKNYOEZGEQF-QAPCUYQASA-N 2 1 333.524 3.153 20 0 EGADMP CC(C)(C)n1cc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)nn1 ZINC000872158040 1296777403 /nfs/dbraw/zinc/77/74/03/1296777403.db2.gz SBOSKNYOEZGEQF-QAPCUYQASA-N 2 1 333.524 3.153 20 0 EGADMP CCC(CC)[C@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH+](C)C ZINC000310047470 1297084398 /nfs/dbraw/zinc/08/43/98/1297084398.db2.gz SXUOOKORDVXZCK-IRXDYDNUSA-N 2 1 341.540 3.342 20 0 EGADMP CC(C)n1cncc1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000310318852 1297092231 /nfs/dbraw/zinc/09/22/31/1297092231.db2.gz WAIHBGGNUFRRHH-HXUWFJFHSA-N 2 1 326.488 3.466 20 0 EGADMP CC(C)n1cncc1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000310318852 1297092248 /nfs/dbraw/zinc/09/22/48/1297092248.db2.gz WAIHBGGNUFRRHH-HXUWFJFHSA-N 2 1 326.488 3.466 20 0 EGADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000310877110 1297102301 /nfs/dbraw/zinc/10/23/01/1297102301.db2.gz HGKATPCYRWRQDW-GHTZIAJQSA-N 2 1 342.458 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@@H](c2ccccc2)C1 ZINC000326806541 1297241297 /nfs/dbraw/zinc/24/12/97/1297241297.db2.gz CKGFDNKBBRCMTE-OFOKGCAXSA-N 2 1 328.500 3.412 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@@H](c2ccccc2)C1 ZINC000326806541 1297241303 /nfs/dbraw/zinc/24/13/03/1297241303.db2.gz CKGFDNKBBRCMTE-OFOKGCAXSA-N 2 1 328.500 3.412 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000873283566 1297409983 /nfs/dbraw/zinc/40/99/83/1297409983.db2.gz WWVXYAMHUCHIPY-LBPRGKRZSA-N 2 1 339.468 3.218 20 0 EGADMP C[C@@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)C[NH+]1CCCC1 ZINC000378907107 1297527315 /nfs/dbraw/zinc/52/73/15/1297527315.db2.gz ZQHUBKBECUBXAT-AWEZNQCLSA-N 2 1 338.879 3.323 20 0 EGADMP C[C@@H](CC[NH2+]C[C@H](O)c1ccc(F)cc1F)[N@H+](C)Cc1ccccc1 ZINC000379632370 1297534823 /nfs/dbraw/zinc/53/48/23/1297534823.db2.gz NQJQPQHXDDARQE-YWZLYKJASA-N 2 1 348.437 3.498 20 0 EGADMP C[C@@H](CC[NH2+]C[C@H](O)c1ccc(F)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000379632370 1297534830 /nfs/dbraw/zinc/53/48/30/1297534830.db2.gz NQJQPQHXDDARQE-YWZLYKJASA-N 2 1 348.437 3.498 20 0 EGADMP C[N@H+](C[C@@H](O)c1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394231805 1297676642 /nfs/dbraw/zinc/67/66/42/1297676642.db2.gz MMZYQDCBPQMRPD-FCLJQHQZSA-N 2 1 342.405 3.296 20 0 EGADMP C[N@@H+](C[C@@H](O)c1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394231805 1297676656 /nfs/dbraw/zinc/67/66/56/1297676656.db2.gz MMZYQDCBPQMRPD-FCLJQHQZSA-N 2 1 342.405 3.296 20 0 EGADMP C[NH+](C[C@@H](O)c1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394231805 1297676664 /nfs/dbraw/zinc/67/66/64/1297676664.db2.gz MMZYQDCBPQMRPD-FCLJQHQZSA-N 2 1 342.405 3.296 20 0 EGADMP C[NH+](C[C@@H](O)c1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394231805 1297676678 /nfs/dbraw/zinc/67/66/78/1297676678.db2.gz MMZYQDCBPQMRPD-FCLJQHQZSA-N 2 1 342.405 3.296 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400323610 1297729725 /nfs/dbraw/zinc/72/97/25/1297729725.db2.gz AQMAABTYBHMQFX-JKSUJKDBSA-N 2 1 341.540 3.340 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400323610 1297729737 /nfs/dbraw/zinc/72/97/37/1297729737.db2.gz AQMAABTYBHMQFX-JKSUJKDBSA-N 2 1 341.540 3.340 20 0 EGADMP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000493992932 1297948916 /nfs/dbraw/zinc/94/89/16/1297948916.db2.gz REGPLNTZOIZQHM-QZTJIDSGSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000692150449 1298141178 /nfs/dbraw/zinc/14/11/78/1298141178.db2.gz GZGNRMRFUKESPH-BZUAXINKSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000692150449 1298141184 /nfs/dbraw/zinc/14/11/84/1298141184.db2.gz GZGNRMRFUKESPH-BZUAXINKSA-N 2 1 339.524 3.094 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000700802417 1298180281 /nfs/dbraw/zinc/18/02/81/1298180281.db2.gz IWGRHKGUANXJBL-DLBZAZTESA-N 2 1 339.524 3.098 20 0 EGADMP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CC1(C)OCCO1 ZINC000715892937 1298289711 /nfs/dbraw/zinc/28/97/11/1298289711.db2.gz GRWVLOPHSISGKP-QGZVFWFLSA-N 2 1 332.488 3.030 20 0 EGADMP CSC(C)(C)CC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000877190398 1299201452 /nfs/dbraw/zinc/20/14/52/1299201452.db2.gz DJPVFMKSRSJYBK-GOSISDBHSA-N 2 1 336.545 3.265 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000749948729 1299308169 /nfs/dbraw/zinc/30/81/69/1299308169.db2.gz AFCIJVDIUQRYML-UXHICEINSA-N 2 1 343.515 3.319 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000749948729 1299308178 /nfs/dbraw/zinc/30/81/78/1299308178.db2.gz AFCIJVDIUQRYML-UXHICEINSA-N 2 1 343.515 3.319 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877448025 1299308817 /nfs/dbraw/zinc/30/88/17/1299308817.db2.gz CAVMWIXWNKHQHZ-YTQUADARSA-N 2 1 335.536 3.007 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877452992 1299311697 /nfs/dbraw/zinc/31/16/97/1299311697.db2.gz UYFWGQIWMBNCKR-NTDBWNAOSA-N 2 1 335.536 3.005 20 0 EGADMP C[N@@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000877519348 1299362062 /nfs/dbraw/zinc/36/20/62/1299362062.db2.gz XRHAZPYEOXOBQN-XYPWUTKMSA-N 2 1 339.524 3.094 20 0 EGADMP C[NH+](CC(C)(C)CNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000877519348 1299362072 /nfs/dbraw/zinc/36/20/72/1299362072.db2.gz XRHAZPYEOXOBQN-XYPWUTKMSA-N 2 1 339.524 3.094 20 0 EGADMP C[NH+](CC(C)(C)CNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000877519348 1299362084 /nfs/dbraw/zinc/36/20/84/1299362084.db2.gz XRHAZPYEOXOBQN-XYPWUTKMSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000877523139 1299366890 /nfs/dbraw/zinc/36/68/90/1299366890.db2.gz INPVTSVEKBKBAX-WRQOLXDDSA-N 2 1 339.524 3.093 20 0 EGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000877523139 1299366899 /nfs/dbraw/zinc/36/68/99/1299366899.db2.gz INPVTSVEKBKBAX-WRQOLXDDSA-N 2 1 339.524 3.093 20 0 EGADMP C[NH+]1CCN(C2CC[NH+](C/C=C/c3ccc(Cl)cc3)CC2)CC1 ZINC000877746399 1299524082 /nfs/dbraw/zinc/52/40/82/1299524082.db2.gz NVHZCDMHMTUXHI-NSCUHMNNSA-N 2 1 333.907 3.065 20 0 EGADMP CC(C)(C)[C@]1(C[NH2+]C[C@H]2C[C@H](O)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000877811637 1299573512 /nfs/dbraw/zinc/57/35/12/1299573512.db2.gz RTOOFXXFZZHQLB-ZJOUEHCJSA-N 2 1 330.516 3.285 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H]1CCC[C@@H](c3ccccc3)O1)CCO2 ZINC000878769258 1300183616 /nfs/dbraw/zinc/18/36/16/1300183616.db2.gz NQJUPSMIQJNOEF-PMACEKPBSA-N 2 1 344.499 3.093 20 0 EGADMP CC[C@H]1C[N@H+](CCC[NH+](CC)CC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000755067693 1300277404 /nfs/dbraw/zinc/27/74/04/1300277404.db2.gz QOENKQIGIAHHMR-IRXDYDNUSA-N 2 1 341.540 3.344 20 0 EGADMP CC[C@H]1C[N@@H+](CCC[NH+](CC)CC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000755067693 1300277411 /nfs/dbraw/zinc/27/74/11/1300277411.db2.gz QOENKQIGIAHHMR-IRXDYDNUSA-N 2 1 341.540 3.344 20 0 EGADMP C[C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000758204543 1300813491 /nfs/dbraw/zinc/81/34/91/1300813491.db2.gz VQYDOHFIJNMPRA-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(CC[NH+]4CCCC4)CC[C@H]32)cc1 ZINC000760848143 1301350668 /nfs/dbraw/zinc/35/06/68/1301350668.db2.gz SNRCKPQJDSHCJM-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CC3(CC3)C(=O)O2)CC1)CC(C)C ZINC000763732610 1301953068 /nfs/dbraw/zinc/95/30/68/1301953068.db2.gz LXENVLQXWQQURC-SFHVURJKSA-N 2 1 336.520 3.162 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc2oc(=O)oc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000883084867 1302240110 /nfs/dbraw/zinc/24/01/10/1302240110.db2.gz CZJFTLUKPOMNQH-HIFRSBDPSA-N 2 1 330.428 3.129 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(Br)cc2F)CC[N@H+]1C ZINC000765872600 1302343901 /nfs/dbraw/zinc/34/39/01/1302343901.db2.gz XKVBIXFGOQSBLN-FZMZJTMJSA-N 2 1 329.257 3.203 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1OC ZINC000765974985 1302360471 /nfs/dbraw/zinc/36/04/71/1302360471.db2.gz JWUIIWPOLKNONG-HKUYNNGSSA-N 2 1 332.488 3.379 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883435406 1302443601 /nfs/dbraw/zinc/44/36/01/1302443601.db2.gz SDOJJGAHFSICHE-MJCUULBUSA-N 2 1 344.499 3.268 20 0 EGADMP CC1(O)CCC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000766479204 1302460652 /nfs/dbraw/zinc/46/06/52/1302460652.db2.gz MLGUOJHYMGAFEX-UHFFFAOYSA-N 2 1 334.479 3.116 20 0 EGADMP C[C@@]1(O)CCC[NH+](CCCCCCCC[N@@H+]2CCC[C@@](C)(O)C2)C1 ZINC000767024833 1302566899 /nfs/dbraw/zinc/56/68/99/1302566899.db2.gz AUIRDCKIZVWECU-WOJBJXKFSA-N 2 1 340.552 3.021 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769503811 1303128928 /nfs/dbraw/zinc/12/89/28/1303128928.db2.gz NDCQKAVDEZZAML-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769503811 1303128934 /nfs/dbraw/zinc/12/89/34/1303128934.db2.gz NDCQKAVDEZZAML-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP CC(C)[C@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)[NH+]1CCC(C)CC1 ZINC000885923290 1303277849 /nfs/dbraw/zinc/27/78/49/1303277849.db2.gz VYEDMBQJRAORKS-OALUTQOASA-N 2 1 338.536 3.061 20 0 EGADMP Cc1[nH]c(C2CC[NH+](CC[S@@](=O)c3ccccc3)CC2)[nH+]c1C ZINC000886666313 1303546743 /nfs/dbraw/zinc/54/67/43/1303546743.db2.gz QWYBAMYZMJQPRR-HSZRJFAPSA-N 2 1 331.485 3.014 20 0 EGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000774976070 1303885324 /nfs/dbraw/zinc/88/53/24/1303885324.db2.gz OXADCPIFCMEZRL-HNNXBMFYSA-N 2 1 327.513 3.001 20 0 EGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000774976070 1303885325 /nfs/dbraw/zinc/88/53/25/1303885325.db2.gz OXADCPIFCMEZRL-HNNXBMFYSA-N 2 1 327.513 3.001 20 0 EGADMP O[C@@H](C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1)C[NH+]1CCCC1 ZINC000775462632 1303967908 /nfs/dbraw/zinc/96/79/08/1303967908.db2.gz BCRYUMIAPNZTAX-INIZCTEOSA-N 2 1 342.405 3.131 20 0 EGADMP C[C@@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000775491843 1303972984 /nfs/dbraw/zinc/97/29/84/1303972984.db2.gz MEZNXMHQAWYSNQ-ZJOUEHCJSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000775491843 1303972988 /nfs/dbraw/zinc/97/29/88/1303972988.db2.gz MEZNXMHQAWYSNQ-ZJOUEHCJSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000775491843 1303972992 /nfs/dbraw/zinc/97/29/92/1303972992.db2.gz MEZNXMHQAWYSNQ-ZJOUEHCJSA-N 2 1 329.532 3.361 20 0 EGADMP CO[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(F)(F)F ZINC000777007575 1304231710 /nfs/dbraw/zinc/23/17/10/1304231710.db2.gz NNLJTQCWRGGEAW-XHDPSFHLSA-N 2 1 327.350 3.409 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](CN2CC(CC)(CC)OC2=O)CC1 ZINC000778574242 1304469181 /nfs/dbraw/zinc/46/91/81/1304469181.db2.gz YKFOXUFLFYUGES-UHFFFAOYSA-N 2 1 339.524 3.399 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CN2CC(CC)(CC)OC2=O)CC1 ZINC000778574242 1304469183 /nfs/dbraw/zinc/46/91/83/1304469183.db2.gz YKFOXUFLFYUGES-UHFFFAOYSA-N 2 1 339.524 3.399 20 0 EGADMP C[C@@H]1C[NH+](CCCCCCCCC[N@H+]2CCO[C@H](C)C2)CCO1 ZINC000781885508 1304886522 /nfs/dbraw/zinc/88/65/22/1304886522.db2.gz QIQYOZJPKUBUIP-RTBURBONSA-N 2 1 326.525 3.159 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000891670629 1305130451 /nfs/dbraw/zinc/13/04/51/1305130451.db2.gz ILUCXZGZAZSOBX-DOTOQJQBSA-N 2 1 339.524 3.096 20 0 EGADMP Cc1cc(F)ncc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000892523697 1305422411 /nfs/dbraw/zinc/42/24/11/1305422411.db2.gz CNVWSINWSCAVSW-UHFFFAOYSA-N 2 1 327.447 3.326 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@H]1COC(C)(C)O1 ZINC000893018095 1305660915 /nfs/dbraw/zinc/66/09/15/1305660915.db2.gz DSSMOSRGONHFAT-IBGZPJMESA-N 2 1 344.455 3.153 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(CC)cc2)[C@@H](C)C1 ZINC000789385206 1306152444 /nfs/dbraw/zinc/15/24/44/1306152444.db2.gz XSSHSKAADXGGOI-YYWHXJBOSA-N 2 1 348.531 3.009 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCC(F)F)C1 ZINC000894063076 1306197939 /nfs/dbraw/zinc/19/79/39/1306197939.db2.gz IIDXBARKMUPVNC-HNNXBMFYSA-N 2 1 326.431 3.494 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCC(F)F)C1 ZINC000894063076 1306197944 /nfs/dbraw/zinc/19/79/44/1306197944.db2.gz IIDXBARKMUPVNC-HNNXBMFYSA-N 2 1 326.431 3.494 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OCC(F)F)C1 ZINC000894063076 1306197949 /nfs/dbraw/zinc/19/79/49/1306197949.db2.gz IIDXBARKMUPVNC-HNNXBMFYSA-N 2 1 326.431 3.494 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OCC(F)F)C1 ZINC000894063076 1306197953 /nfs/dbraw/zinc/19/79/53/1306197953.db2.gz IIDXBARKMUPVNC-HNNXBMFYSA-N 2 1 326.431 3.494 20 0 EGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2OCC(F)F)C1 ZINC000894086086 1306209240 /nfs/dbraw/zinc/20/92/40/1306209240.db2.gz ARLRDAPODXXSJF-INIZCTEOSA-N 2 1 338.442 3.494 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2OCC(F)F)C1 ZINC000894086086 1306209248 /nfs/dbraw/zinc/20/92/48/1306209248.db2.gz ARLRDAPODXXSJF-INIZCTEOSA-N 2 1 338.442 3.494 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2OCC(F)F)C1 ZINC000894086086 1306209256 /nfs/dbraw/zinc/20/92/56/1306209256.db2.gz ARLRDAPODXXSJF-INIZCTEOSA-N 2 1 338.442 3.494 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2OCC(F)F)C1 ZINC000894086086 1306209264 /nfs/dbraw/zinc/20/92/64/1306209264.db2.gz ARLRDAPODXXSJF-INIZCTEOSA-N 2 1 338.442 3.494 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCO[C@@H]3CCCCO3)CC[N@@H+]2C2CC2)cc1 ZINC000894794337 1309073933 /nfs/dbraw/zinc/07/39/33/1309073933.db2.gz OEFPJRLANYQZRV-SESVDKBCSA-N 2 1 344.499 3.487 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCO[C@@H]3CCCCO3)CC[N@H+]2C2CC2)cc1 ZINC000894794337 1309073937 /nfs/dbraw/zinc/07/39/37/1309073937.db2.gz OEFPJRLANYQZRV-SESVDKBCSA-N 2 1 344.499 3.487 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCO[C@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000894801678 1309080091 /nfs/dbraw/zinc/08/00/91/1309080091.db2.gz YDVGQAMPIIFEGD-HOJAQTOUSA-N 2 1 332.488 3.172 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCO[C@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000894801678 1309080103 /nfs/dbraw/zinc/08/01/03/1309080103.db2.gz YDVGQAMPIIFEGD-HOJAQTOUSA-N 2 1 332.488 3.172 20 0 EGADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCC(=O)N2C ZINC000895378562 1309307495 /nfs/dbraw/zinc/30/74/95/1309307495.db2.gz QZQMGIRLNJSSEQ-VQIMIIECSA-N 2 1 343.515 3.148 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)C2)cc1 ZINC000793207686 1309316745 /nfs/dbraw/zinc/31/67/45/1309316745.db2.gz RIZXEEAOYNEREL-MKXGPGLRSA-N 2 1 348.581 3.478 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1cc(C)nn1C ZINC000793524909 1309393171 /nfs/dbraw/zinc/39/31/71/1309393171.db2.gz MGZMRJGBCQDNRY-KRWDZBQOSA-N 2 1 344.503 3.300 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)n(C)n1 ZINC000793524701 1309393465 /nfs/dbraw/zinc/39/34/65/1309393465.db2.gz HKWYWRLPHZUVGM-CVEARBPZSA-N 2 1 332.517 3.353 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)n(C)n1 ZINC000793524701 1309393471 /nfs/dbraw/zinc/39/34/71/1309393471.db2.gz HKWYWRLPHZUVGM-CVEARBPZSA-N 2 1 332.517 3.353 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795099091 1309667965 /nfs/dbraw/zinc/66/79/65/1309667965.db2.gz GHQAIOGOLDFCIG-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795099091 1309667972 /nfs/dbraw/zinc/66/79/72/1309667972.db2.gz GHQAIOGOLDFCIG-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3CC[N@H+]3C(C)(C)C)cc21 ZINC000896499647 1309887223 /nfs/dbraw/zinc/88/72/23/1309887223.db2.gz SEYMPXRCOKEFIC-KRWDZBQOSA-N 2 1 342.487 3.014 20 0 EGADMP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1nc(Br)cs1 ZINC000817967703 1319481211 /nfs/dbraw/zinc/48/12/11/1319481211.db2.gz BBHJMPUIOOBUTA-VIFPVBQESA-N 2 1 338.274 3.360 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000897537305 1310367892 /nfs/dbraw/zinc/36/78/92/1310367892.db2.gz SHUSMVYMZQSHLV-PMXSJFBMSA-N 2 1 330.516 3.428 20 0 EGADMP CC[C@@H](C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000798526291 1310382362 /nfs/dbraw/zinc/38/23/62/1310382362.db2.gz CCWLZARXIKRVPK-PZJWPPBQSA-N 2 1 345.531 3.135 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3nonc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000897990615 1310543915 /nfs/dbraw/zinc/54/39/15/1310543915.db2.gz APOSGFINIYDNEY-QAPCUYQASA-N 2 1 336.439 3.366 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3nonc3c2)CC[N@H+]1Cc1ccccc1 ZINC000897990615 1310543917 /nfs/dbraw/zinc/54/39/17/1310543917.db2.gz APOSGFINIYDNEY-QAPCUYQASA-N 2 1 336.439 3.366 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(CCO)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898170887 1310612645 /nfs/dbraw/zinc/61/26/45/1310612645.db2.gz NHMYCJCVRYVHDA-XMSQKQJNSA-N 2 1 338.495 3.222 20 0 EGADMP O=C(OCCC[NH+]1CCCC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000800173849 1310691423 /nfs/dbraw/zinc/69/14/23/1310691423.db2.gz KZTZGVHMVZDQST-SFHVURJKSA-N 2 1 348.462 3.067 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023761462 1319905341 /nfs/dbraw/zinc/90/53/41/1319905341.db2.gz AHWOSDGCESYRHN-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001023761462 1319905345 /nfs/dbraw/zinc/90/53/45/1319905345.db2.gz AHWOSDGCESYRHN-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001023761462 1319905353 /nfs/dbraw/zinc/90/53/53/1319905353.db2.gz AHWOSDGCESYRHN-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001019068603 1317031937 /nfs/dbraw/zinc/03/19/37/1317031937.db2.gz BESQYAAFPKNTKT-SFHVURJKSA-N 2 1 343.515 3.030 20 0 EGADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900013545 1317217386 /nfs/dbraw/zinc/21/73/86/1317217386.db2.gz KPMQIYZARIRWKS-GVDBMIGSSA-N 2 1 347.528 3.018 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001019632202 1317311297 /nfs/dbraw/zinc/31/12/97/1317311297.db2.gz DUNDWEDRFTZCOG-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000957605933 1317492740 /nfs/dbraw/zinc/49/27/40/1317492740.db2.gz QUEPABOCHSYRSH-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957635719 1317509869 /nfs/dbraw/zinc/50/98/69/1317509869.db2.gz HWELCVLVQNGFAU-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000902332283 1317564297 /nfs/dbraw/zinc/56/42/97/1317564297.db2.gz FBFTWKUKGMYBJK-UXHICEINSA-N 2 1 329.532 3.266 20 0 EGADMP CC1(C)C[NH2+]CC[C@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000902332283 1317564302 /nfs/dbraw/zinc/56/43/02/1317564302.db2.gz FBFTWKUKGMYBJK-UXHICEINSA-N 2 1 329.532 3.266 20 0 EGADMP CC1(C)C[NH2+]CC[C@H](NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000902332283 1317564308 /nfs/dbraw/zinc/56/43/08/1317564308.db2.gz FBFTWKUKGMYBJK-UXHICEINSA-N 2 1 329.532 3.266 20 0 EGADMP C[NH+]1CCC(Oc2ccc(CN[C@H]3CC[NH2+]CC(C)(C)C3)cc2)CC1 ZINC000902385425 1317571102 /nfs/dbraw/zinc/57/11/02/1317571102.db2.gz UORZGGWCGIJVQC-SFHVURJKSA-N 2 1 345.531 3.027 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3cccc(C)c3)C2)CC[N@H+]1C ZINC001020175364 1317574773 /nfs/dbraw/zinc/57/47/73/1317574773.db2.gz LRLSHNMSMGIMFB-ONSCTEFMSA-N 2 1 343.515 3.023 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001020214329 1317595890 /nfs/dbraw/zinc/59/58/90/1317595890.db2.gz PVACDQSJCZYXPP-UAFMIMERSA-N 2 1 343.515 3.249 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001020237868 1317603839 /nfs/dbraw/zinc/60/38/39/1317603839.db2.gz GQDPLBFZWILYND-UFYCRDLUSA-N 2 1 349.563 3.172 20 0 EGADMP CC[N@@H+](CC1CCCCC1)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000957776346 1317640152 /nfs/dbraw/zinc/64/01/52/1317640152.db2.gz HANZRKVSGVYCCZ-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@@H+](CC1CCC1)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000957778092 1317641128 /nfs/dbraw/zinc/64/11/28/1317641128.db2.gz OFDGYAFPDQISJL-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903091447 1317650903 /nfs/dbraw/zinc/65/09/03/1317650903.db2.gz UHEUVHCWWIEOHG-HOTGVXAUSA-N 2 1 339.524 3.142 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001020340442 1317652254 /nfs/dbraw/zinc/65/22/54/1317652254.db2.gz PRLXMNTZRXQFNN-WFAGLZIHSA-N 2 1 349.563 3.170 20 0 EGADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1c(F)cccc1F ZINC000903098878 1317652510 /nfs/dbraw/zinc/65/25/10/1317652510.db2.gz UXSSPGOURPDUFJ-RFXRPKLXSA-N 2 1 349.469 3.315 20 0 EGADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1c(F)cccc1F ZINC000903098878 1317652515 /nfs/dbraw/zinc/65/25/15/1317652515.db2.gz UXSSPGOURPDUFJ-RFXRPKLXSA-N 2 1 349.469 3.315 20 0 EGADMP COc1ccc(O[C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903104571 1317652869 /nfs/dbraw/zinc/65/28/69/1317652869.db2.gz WCERHEAPZMGGJK-DUZACMNTSA-N 2 1 330.472 3.210 20 0 EGADMP CC[C@H]([NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O)c1ccc(OC)cc1 ZINC000903117340 1317656069 /nfs/dbraw/zinc/65/60/69/1317656069.db2.gz LKWYXGHRBSOWEB-QSUVIHHLSA-N 2 1 346.515 3.216 20 0 EGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000903116328 1317656343 /nfs/dbraw/zinc/65/63/43/1317656343.db2.gz HCNTZWGIDCDOOE-QSUVIHHLSA-N 2 1 328.500 3.052 20 0 EGADMP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000903115208 1317656357 /nfs/dbraw/zinc/65/63/57/1317656357.db2.gz ASUKCPBEOFNRPL-MAWREPJSSA-N 2 1 346.515 3.134 20 0 EGADMP COc1cccc2c1OCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903118268 1317656811 /nfs/dbraw/zinc/65/68/11/1317656811.db2.gz GXASFHIRAKKGRC-NPVYPNSJSA-N 2 1 328.456 3.266 20 0 EGADMP COc1cccc2c1OCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903118268 1317656816 /nfs/dbraw/zinc/65/68/16/1317656816.db2.gz GXASFHIRAKKGRC-NPVYPNSJSA-N 2 1 328.456 3.266 20 0 EGADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903170720 1317667679 /nfs/dbraw/zinc/66/76/79/1317667679.db2.gz BAKKCZATXRVVIZ-HXUWFJFHSA-N 2 1 340.471 3.048 20 0 EGADMP CC1([NH+]2CCCC2)CCC([NH2+][C@@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000903252358 1317681432 /nfs/dbraw/zinc/68/14/32/1317681432.db2.gz BAHAHEURKUNZGX-QPIRBTGLSA-N 2 1 339.487 3.281 20 0 EGADMP FCCn1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000903274770 1317683006 /nfs/dbraw/zinc/68/30/06/1317683006.db2.gz SHADLHMPHPXWJY-OWZKRDHZSA-N 2 1 342.462 3.138 20 0 EGADMP FCCn1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000903274770 1317683011 /nfs/dbraw/zinc/68/30/11/1317683011.db2.gz SHADLHMPHPXWJY-OWZKRDHZSA-N 2 1 342.462 3.138 20 0 EGADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903721893 1317724116 /nfs/dbraw/zinc/72/41/16/1317724116.db2.gz FWYFCSAGGSLFRW-INIZCTEOSA-N 2 1 342.405 3.296 20 0 EGADMP CC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C)c1cccc(OC)c1 ZINC000903723096 1317724256 /nfs/dbraw/zinc/72/42/56/1317724256.db2.gz SWDIKXSWYDPZMG-APWZRJJASA-N 2 1 332.488 3.237 20 0 EGADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903734612 1317727211 /nfs/dbraw/zinc/72/72/11/1317727211.db2.gz SVMTVDZMSMPETP-LZQZEXGQSA-N 2 1 332.463 3.367 20 0 EGADMP CN(C)c1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903740857 1317728654 /nfs/dbraw/zinc/72/86/54/1317728654.db2.gz ZYDULCNVFSAFGD-PMACEKPBSA-N 2 1 343.515 3.048 20 0 EGADMP COc1ccccc1[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903780762 1317732089 /nfs/dbraw/zinc/73/20/89/1317732089.db2.gz LDRJPTJZSCHZOL-DBXWQHBBSA-N 2 1 344.499 3.033 20 0 EGADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC(C)(C)[C@@H](c3ccccc3)C2)n1 ZINC000903824419 1317737697 /nfs/dbraw/zinc/73/76/97/1317737697.db2.gz QHSDHPNWJHIQQZ-OAHLLOKOSA-N 2 1 328.460 3.279 20 0 EGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)C2 ZINC000903848292 1317738981 /nfs/dbraw/zinc/73/89/81/1317738981.db2.gz OZVILMXDXTUQHO-ZJOUEHCJSA-N 2 1 349.478 3.031 20 0 EGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)C2 ZINC000903848292 1317738987 /nfs/dbraw/zinc/73/89/87/1317738987.db2.gz OZVILMXDXTUQHO-ZJOUEHCJSA-N 2 1 349.478 3.031 20 0 EGADMP Cc1ccc([C@H](C)[N@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000903880264 1317740067 /nfs/dbraw/zinc/74/00/67/1317740067.db2.gz OZUAYFZNWOCETG-DLBZAZTESA-N 2 1 327.476 3.012 20 0 EGADMP Cc1ccc([C@H](C)[N@@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000903880264 1317740071 /nfs/dbraw/zinc/74/00/71/1317740071.db2.gz OZUAYFZNWOCETG-DLBZAZTESA-N 2 1 327.476 3.012 20 0 EGADMP C[N@H+]1CCCC[C@@H](CNCc2cc(Br)cnc2Cl)C1 ZINC000858244997 1328721195 /nfs/dbraw/zinc/72/11/95/1328721195.db2.gz AGAZKYWCOHZHAV-NSHDSACASA-N 2 1 346.700 3.319 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001020591957 1317792292 /nfs/dbraw/zinc/79/22/92/1317792292.db2.gz XJNKYZIUTJVJKL-KZNAEPCWSA-N 2 1 343.515 3.025 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)NCC1([NH3+])CC1)C1CCCCC1 ZINC000904278361 1317823149 /nfs/dbraw/zinc/82/31/49/1317823149.db2.gz UWADIOSELUQOEW-UHFFFAOYSA-N 2 1 330.476 3.064 20 0 EGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904342693 1317834195 /nfs/dbraw/zinc/83/41/95/1317834195.db2.gz NQSDKSBAAJJBMA-FXAWDEMLSA-N 2 1 326.488 3.199 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001020661142 1317841121 /nfs/dbraw/zinc/84/11/21/1317841121.db2.gz XJRHPLYHBWKBFQ-VNGAXPGBSA-N 2 1 346.519 3.070 20 0 EGADMP CC[C@@H](C)C[C@H]([NH3+])c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000904601020 1317867833 /nfs/dbraw/zinc/86/78/33/1317867833.db2.gz ABSUDIZDTDPXAR-CJNGLKHVSA-N 2 1 332.448 3.113 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@](C)(O)C(F)F)C1 ZINC000905044997 1317916544 /nfs/dbraw/zinc/91/65/44/1317916544.db2.gz HEPFWNRBYCDOQL-KSSFIOAISA-N 2 1 326.431 3.024 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCC2)C1 ZINC001021358058 1318208653 /nfs/dbraw/zinc/20/86/53/1318208653.db2.gz XUYQFFBAYYMOMH-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCC2)C1 ZINC001021358058 1318208659 /nfs/dbraw/zinc/20/86/59/1318208659.db2.gz XUYQFFBAYYMOMH-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCC2)C1 ZINC001021358058 1318208665 /nfs/dbraw/zinc/20/86/65/1318208665.db2.gz XUYQFFBAYYMOMH-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC000960022023 1318317271 /nfs/dbraw/zinc/31/72/71/1318317271.db2.gz KLZYYQYBMPMLLE-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000960033873 1318320256 /nfs/dbraw/zinc/32/02/56/1318320256.db2.gz URAZYWCRKPVENJ-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(N(C)C)c3ccccc23)[C@H](C)C1 ZINC000930001789 1328762125 /nfs/dbraw/zinc/76/21/25/1328762125.db2.gz WFHANCGDNFSCKR-UZLBHIALSA-N 2 1 340.515 3.463 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(N(C)C)c3ccccc23)[C@H](C)C1 ZINC000930001789 1328762126 /nfs/dbraw/zinc/76/21/26/1328762126.db2.gz WFHANCGDNFSCKR-UZLBHIALSA-N 2 1 340.515 3.463 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(N(C)C)c3ccccc23)[C@H](C)C1 ZINC000930001789 1328762129 /nfs/dbraw/zinc/76/21/29/1328762129.db2.gz WFHANCGDNFSCKR-UZLBHIALSA-N 2 1 340.515 3.463 20 0 EGADMP C[N@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000812826907 1318464372 /nfs/dbraw/zinc/46/43/72/1318464372.db2.gz TYALZZHVMGDBQS-BBRMVZONSA-N 2 1 330.394 3.012 20 0 EGADMP C[N@@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000812826907 1318464375 /nfs/dbraw/zinc/46/43/75/1318464375.db2.gz TYALZZHVMGDBQS-BBRMVZONSA-N 2 1 330.394 3.012 20 0 EGADMP C[NH+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000812826907 1318464380 /nfs/dbraw/zinc/46/43/80/1318464380.db2.gz TYALZZHVMGDBQS-BBRMVZONSA-N 2 1 330.394 3.012 20 0 EGADMP C[NH+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000812826907 1318464387 /nfs/dbraw/zinc/46/43/87/1318464387.db2.gz TYALZZHVMGDBQS-BBRMVZONSA-N 2 1 330.394 3.012 20 0 EGADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000812842510 1318469059 /nfs/dbraw/zinc/46/90/59/1318469059.db2.gz KEYQRYHXALTJKG-MRXNPFEDSA-N 2 1 330.394 3.157 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000812842510 1318469064 /nfs/dbraw/zinc/46/90/64/1318469064.db2.gz KEYQRYHXALTJKG-MRXNPFEDSA-N 2 1 330.394 3.157 20 0 EGADMP CC[C@@H](CO)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000930071657 1328777946 /nfs/dbraw/zinc/77/79/46/1328777946.db2.gz JTHIGXMTVXCSQI-INIZCTEOSA-N 2 1 344.421 3.373 20 0 EGADMP CC[C@@H](CO)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000930071657 1328777949 /nfs/dbraw/zinc/77/79/49/1328777949.db2.gz JTHIGXMTVXCSQI-INIZCTEOSA-N 2 1 344.421 3.373 20 0 EGADMP CC[C@@H](CO)[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000930071657 1328777952 /nfs/dbraw/zinc/77/79/52/1328777952.db2.gz JTHIGXMTVXCSQI-INIZCTEOSA-N 2 1 344.421 3.373 20 0 EGADMP CC[C@@H](CO)[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000930071657 1328777955 /nfs/dbraw/zinc/77/79/55/1328777955.db2.gz JTHIGXMTVXCSQI-INIZCTEOSA-N 2 1 344.421 3.373 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)Cc1ccsc1 ZINC000960666478 1318784397 /nfs/dbraw/zinc/78/43/97/1318784397.db2.gz RJESQBFNTQJNJZ-ZWKOTPCHSA-N 2 1 349.544 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccsc1 ZINC000960666478 1318784404 /nfs/dbraw/zinc/78/44/04/1318784404.db2.gz RJESQBFNTQJNJZ-ZWKOTPCHSA-N 2 1 349.544 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccsc1 ZINC000960666478 1318784413 /nfs/dbraw/zinc/78/44/13/1318784413.db2.gz RJESQBFNTQJNJZ-ZWKOTPCHSA-N 2 1 349.544 3.045 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1)c1ccccc1 ZINC001022069660 1318786485 /nfs/dbraw/zinc/78/64/85/1318786485.db2.gz NJKUSQWBXUAARB-WCIQWLHISA-N 2 1 343.515 3.247 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCCC3)C2)CC[N@H+]1C ZINC001022109872 1318797156 /nfs/dbraw/zinc/79/71/56/1318797156.db2.gz VAPUPKGFJKCNCG-ZGXWSNOMSA-N 2 1 349.563 3.314 20 0 EGADMP CC1(C)CC(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001022202504 1318840526 /nfs/dbraw/zinc/84/05/26/1318840526.db2.gz ZOKOBTGGJYSXCA-SCTDSRPQSA-N 2 1 347.547 3.066 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022350387 1318902085 /nfs/dbraw/zinc/90/20/85/1318902085.db2.gz LLRYKGMHTXNRPN-ZCNNSNEGSA-N 2 1 349.563 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CC2CCCC2)C1 ZINC000960811563 1318931082 /nfs/dbraw/zinc/93/10/82/1318931082.db2.gz BVYVCOBHNUHTDU-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[C@H]2C[N@H+](C)CC2CCCC2)C1 ZINC000960811563 1318931091 /nfs/dbraw/zinc/93/10/91/1318931091.db2.gz BVYVCOBHNUHTDU-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCCC2)C1 ZINC000960811563 1318931102 /nfs/dbraw/zinc/93/11/02/1318931102.db2.gz BVYVCOBHNUHTDU-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CC2CC(C)(C)C2)CC[N@H+]1C ZINC000960824925 1318951004 /nfs/dbraw/zinc/95/10/04/1318951004.db2.gz VVSRLXHHYWEMJN-WDSOQIARSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[N@H+](C)CC2CC(C)(C)C2)CC[NH+]1C ZINC000960824925 1318951007 /nfs/dbraw/zinc/95/10/07/1318951007.db2.gz VVSRLXHHYWEMJN-WDSOQIARSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CC(C)(C)C2)CC[NH+]1C ZINC000960824925 1318951009 /nfs/dbraw/zinc/95/10/09/1318951009.db2.gz VVSRLXHHYWEMJN-WDSOQIARSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC2=CCCCC2)CC[N@H+]1C ZINC000960824885 1318951326 /nfs/dbraw/zinc/95/13/26/1318951326.db2.gz UXMRLZLCRJUPFL-YSIASYRMSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[N@H+](C)CC2=CCCCC2)CC[NH+]1C ZINC000960824885 1318951336 /nfs/dbraw/zinc/95/13/36/1318951336.db2.gz UXMRLZLCRJUPFL-YSIASYRMSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2=CCCCC2)CC[NH+]1C ZINC000960824885 1318951341 /nfs/dbraw/zinc/95/13/41/1318951341.db2.gz UXMRLZLCRJUPFL-YSIASYRMSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000960835659 1318966191 /nfs/dbraw/zinc/96/61/91/1318966191.db2.gz RHCAQXNTEPEIHN-RTBURBONSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000960835659 1318966198 /nfs/dbraw/zinc/96/61/98/1318966198.db2.gz RHCAQXNTEPEIHN-RTBURBONSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000960835659 1318966205 /nfs/dbraw/zinc/96/62/05/1318966205.db2.gz RHCAQXNTEPEIHN-RTBURBONSA-N 2 1 335.536 3.115 20 0 EGADMP Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC000960843877 1318979729 /nfs/dbraw/zinc/97/97/29/1318979729.db2.gz LGXQHMCWVOCVQO-VQTJNVASSA-N 2 1 345.531 3.004 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3ccccc3)C2)C1 ZINC001022585236 1319004108 /nfs/dbraw/zinc/00/41/08/1319004108.db2.gz LTMDEBDBYJMMSJ-MDNKFWRPSA-N 2 1 343.515 3.106 20 0 EGADMP Cc1ccccc1C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000960862312 1319005776 /nfs/dbraw/zinc/00/57/76/1319005776.db2.gz PSSRIYJPKSTXKB-VQTJNVASSA-N 2 1 345.531 3.004 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1c(C)cccc1C)[NH+](C)C ZINC000960883255 1319020169 /nfs/dbraw/zinc/02/01/69/1319020169.db2.gz PRPZJOFZYUACOU-ICSRJNTNSA-N 2 1 345.531 3.066 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001022794578 1319113889 /nfs/dbraw/zinc/11/38/89/1319113889.db2.gz XJRHPLYHBWKBFQ-OWCVQMPJSA-N 2 1 346.519 3.070 20 0 EGADMP CC[C@H]([NH2+]CCc1ccc(Br)cc1F)[C@@H]1CCC[NH2+]1 ZINC000817902380 1319456717 /nfs/dbraw/zinc/45/67/17/1319456717.db2.gz OZGKEZKHNNEKTH-GJZGRUSLSA-N 2 1 329.257 3.251 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000817948889 1319473299 /nfs/dbraw/zinc/47/32/99/1319473299.db2.gz LZYRPGWZTHCLGW-PGRDOPGGSA-N 3 1 337.511 3.188 20 0 EGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000817957324 1319476969 /nfs/dbraw/zinc/47/69/69/1319476969.db2.gz AQUUZHUZAAHJRZ-KXBFYZLASA-N 2 1 329.488 3.372 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023402156 1319509330 /nfs/dbraw/zinc/50/93/30/1319509330.db2.gz HDSPEJWPUFCOBZ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001023402156 1319509341 /nfs/dbraw/zinc/50/93/41/1319509341.db2.gz HDSPEJWPUFCOBZ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001023402156 1319509355 /nfs/dbraw/zinc/50/93/55/1319509355.db2.gz HDSPEJWPUFCOBZ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413924 1319515688 /nfs/dbraw/zinc/51/56/88/1319515688.db2.gz KYBCLUCJNGLNKZ-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023413924 1319515692 /nfs/dbraw/zinc/51/56/92/1319515692.db2.gz KYBCLUCJNGLNKZ-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023413924 1319515698 /nfs/dbraw/zinc/51/56/98/1319515698.db2.gz KYBCLUCJNGLNKZ-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[N@@H+](CC2CCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001023413715 1319517108 /nfs/dbraw/zinc/51/71/08/1319517108.db2.gz IBIGQZKFHWNBLI-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[NH+](CC2CCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001023413715 1319517117 /nfs/dbraw/zinc/51/71/17/1319517117.db2.gz IBIGQZKFHWNBLI-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[NH+](CC2CCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001023413715 1319517123 /nfs/dbraw/zinc/51/71/23/1319517123.db2.gz IBIGQZKFHWNBLI-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414513 1319519503 /nfs/dbraw/zinc/51/95/03/1319519503.db2.gz VASGPSZZZLJEFD-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414513 1319519511 /nfs/dbraw/zinc/51/95/11/1319519511.db2.gz VASGPSZZZLJEFD-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414513 1319519519 /nfs/dbraw/zinc/51/95/19/1319519519.db2.gz VASGPSZZZLJEFD-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000961368122 1319524008 /nfs/dbraw/zinc/52/40/08/1319524008.db2.gz QRTLIIIPYALFJK-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000961368122 1319524014 /nfs/dbraw/zinc/52/40/14/1319524014.db2.gz QRTLIIIPYALFJK-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000961368122 1319524020 /nfs/dbraw/zinc/52/40/20/1319524020.db2.gz QRTLIIIPYALFJK-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+](CCC)C2)CC1 ZINC000961368120 1319524714 /nfs/dbraw/zinc/52/47/14/1319524714.db2.gz QRTLIIIPYALFJK-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000961368120 1319524719 /nfs/dbraw/zinc/52/47/19/1319524719.db2.gz QRTLIIIPYALFJK-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000961368120 1319524727 /nfs/dbraw/zinc/52/47/27/1319524727.db2.gz QRTLIIIPYALFJK-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+](CC)C3)CC2)C1 ZINC000961397239 1319552537 /nfs/dbraw/zinc/55/25/37/1319552537.db2.gz SKPXSUMTTIECNK-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC([C@@H]3CCC[N@H+](CC)C3)CC2)C1 ZINC000961397239 1319552545 /nfs/dbraw/zinc/55/25/45/1319552545.db2.gz SKPXSUMTTIECNK-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC([C@@H]3CCC[N@@H+](CC)C3)CC2)C1 ZINC000961397239 1319552548 /nfs/dbraw/zinc/55/25/48/1319552548.db2.gz SKPXSUMTTIECNK-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC000961410711 1319566364 /nfs/dbraw/zinc/56/63/64/1319566364.db2.gz CUUYVANVGYLIEE-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000961417913 1319576001 /nfs/dbraw/zinc/57/60/01/1319576001.db2.gz VMRDNUXQPWOXBJ-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC000961433729 1319587038 /nfs/dbraw/zinc/58/70/38/1319587038.db2.gz BUHBJBGRLWGRAN-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000961434350 1319587106 /nfs/dbraw/zinc/58/71/06/1319587106.db2.gz FJMQSRMMBRDQFR-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000818961185 1319592345 /nfs/dbraw/zinc/59/23/45/1319592345.db2.gz NYGOZFQDOLSSIV-ZRGWGRIASA-N 2 1 340.458 3.346 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000818984422 1319605717 /nfs/dbraw/zinc/60/57/17/1319605717.db2.gz HBIJUPCSUNIUQI-YOEHRIQHSA-N 2 1 344.421 3.449 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccccc2)[C@H]1c1cccs1 ZINC000819100838 1319635070 /nfs/dbraw/zinc/63/50/70/1319635070.db2.gz JIEHNXQWOJXMEG-LMMKCTJWSA-N 2 1 330.497 3.454 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccccc2)[C@H]1c1cccs1 ZINC000819100838 1319635079 /nfs/dbraw/zinc/63/50/79/1319635079.db2.gz JIEHNXQWOJXMEG-LMMKCTJWSA-N 2 1 330.497 3.454 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000819366004 1319710586 /nfs/dbraw/zinc/71/05/86/1319710586.db2.gz GMQCIODVXKDUAR-LRDDRELGSA-N 2 1 331.287 3.348 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCC2)C1 ZINC001023632246 1319753634 /nfs/dbraw/zinc/75/36/34/1319753634.db2.gz HVKWFUWOPZXSTE-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001023632246 1319753642 /nfs/dbraw/zinc/75/36/42/1319753642.db2.gz HVKWFUWOPZXSTE-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001023632246 1319753649 /nfs/dbraw/zinc/75/36/49/1319753649.db2.gz HVKWFUWOPZXSTE-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1 ZINC000961924028 1319775046 /nfs/dbraw/zinc/77/50/46/1319775046.db2.gz KFTKXPPUNKTXFX-SOAGJPPSSA-N 2 1 347.547 3.234 20 0 EGADMP O[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000820809508 1319957551 /nfs/dbraw/zinc/95/75/51/1319957551.db2.gz CHGIHOOMHZFSOD-OSYNSWQESA-N 2 1 328.500 3.465 20 0 EGADMP C[N@@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000822692344 1320114757 /nfs/dbraw/zinc/11/47/57/1320114757.db2.gz YBFOLVWIZNOLET-ZLIFDBKOSA-N 2 1 343.298 3.443 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000822692344 1320114760 /nfs/dbraw/zinc/11/47/60/1320114760.db2.gz YBFOLVWIZNOLET-ZLIFDBKOSA-N 2 1 343.298 3.443 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H](O)c3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000822692344 1320114762 /nfs/dbraw/zinc/11/47/62/1320114762.db2.gz YBFOLVWIZNOLET-ZLIFDBKOSA-N 2 1 343.298 3.443 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H](O)c3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000822692344 1320114763 /nfs/dbraw/zinc/11/47/63/1320114763.db2.gz YBFOLVWIZNOLET-ZLIFDBKOSA-N 2 1 343.298 3.443 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+](CC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000822766441 1320121617 /nfs/dbraw/zinc/12/16/17/1320121617.db2.gz RNQCIDVTNSARRI-HNNXBMFYSA-N 2 1 348.362 3.061 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)C[C@@H]([NH3+])C1CC1)C1CCCCC1 ZINC000827498220 1320457119 /nfs/dbraw/zinc/45/71/19/1320457119.db2.gz GZQCZPBBOVXWTJ-HXUWFJFHSA-N 2 1 343.515 3.195 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(N2CCCCC2=O)cc1 ZINC000839108805 1320871997 /nfs/dbraw/zinc/87/19/97/1320871997.db2.gz MHTRVRYQFMBVHB-MRXNPFEDSA-N 2 1 341.499 3.481 20 0 EGADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)ccc1OC(=O)CC ZINC000840886799 1321170792 /nfs/dbraw/zinc/17/07/92/1321170792.db2.gz AAKKOUUJBBKRPY-KRWDZBQOSA-N 2 1 348.487 3.221 20 0 EGADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1OC(=O)CC ZINC000840886799 1321170796 /nfs/dbraw/zinc/17/07/96/1321170796.db2.gz AAKKOUUJBBKRPY-KRWDZBQOSA-N 2 1 348.487 3.221 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1OC(=O)CC ZINC000840903009 1321173530 /nfs/dbraw/zinc/17/35/30/1321173530.db2.gz KGGQGVFOTPSBNP-IAGOWNOFSA-N 2 1 348.487 3.363 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+]2CCc3cc(Br)cc(F)c3C2)CC[NH2+]1 ZINC000841021557 1321202246 /nfs/dbraw/zinc/20/22/46/1321202246.db2.gz XVMBQWKKLKYZBY-VXGBXAGGSA-N 2 1 341.268 3.334 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCc3cc(Br)cc(F)c3C2)CC[NH2+]1 ZINC000841021557 1321202248 /nfs/dbraw/zinc/20/22/48/1321202248.db2.gz XVMBQWKKLKYZBY-VXGBXAGGSA-N 2 1 341.268 3.334 20 0 EGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000841056717 1321211107 /nfs/dbraw/zinc/21/11/07/1321211107.db2.gz BOWUWSFDLIJXRP-HOTGVXAUSA-N 2 1 332.879 3.253 20 0 EGADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000841381902 1321266754 /nfs/dbraw/zinc/26/67/54/1321266754.db2.gz QTFFUJAHCZEFQW-GOSISDBHSA-N 2 1 349.438 3.207 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc(=O)oc2c1 ZINC000842474052 1321393738 /nfs/dbraw/zinc/39/37/38/1321393738.db2.gz CFIXVYMVBHVEAE-QAPCUYQASA-N 2 1 326.440 3.065 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC000842694832 1321420455 /nfs/dbraw/zinc/42/04/55/1321420455.db2.gz RVPHUOWWGROKJL-KRWDZBQOSA-N 2 1 344.503 3.446 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(-c2nc(C3CC[NH2+]CC3)no2)cc1 ZINC000843139269 1321476360 /nfs/dbraw/zinc/47/63/60/1321476360.db2.gz SCILRJCPPHCLFT-UHFFFAOYSA-N 2 1 328.460 3.436 20 0 EGADMP [NH3+]CCCCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000843342409 1321502791 /nfs/dbraw/zinc/50/27/91/1321502791.db2.gz QGNCFQYVTNUULG-PWRODBHTSA-N 3 1 329.532 3.396 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1SC(F)(F)F ZINC000843353198 1321504318 /nfs/dbraw/zinc/50/43/18/1321504318.db2.gz CWZFKBGYTPKCFY-ZYHUDNBSSA-N 2 1 334.407 3.476 20 0 EGADMP CC[C@@H](C)c1ccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000843363552 1321507115 /nfs/dbraw/zinc/50/71/15/1321507115.db2.gz VRBRJWVLEKNWTJ-MRXNPFEDSA-N 2 1 329.488 3.214 20 0 EGADMP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3ccccc3c2)[C@@H]1CC[NH3+] ZINC000846226360 1321778017 /nfs/dbraw/zinc/77/80/17/1321778017.db2.gz KVTVIUYQVLZKKV-DNVCBOLYSA-N 2 1 325.456 3.228 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3ccccc3c2)[C@@H]1CC[NH3+] ZINC000846226360 1321778019 /nfs/dbraw/zinc/77/80/19/1321778019.db2.gz KVTVIUYQVLZKKV-DNVCBOLYSA-N 2 1 325.456 3.228 20 0 EGADMP c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc2nonc12 ZINC000846797714 1321809886 /nfs/dbraw/zinc/80/98/86/1321809886.db2.gz VGEIJHJUXRZBQC-QGZVFWFLSA-N 2 1 328.460 3.311 20 0 EGADMP c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc2nonc12 ZINC000846797714 1321809893 /nfs/dbraw/zinc/80/98/93/1321809893.db2.gz VGEIJHJUXRZBQC-QGZVFWFLSA-N 2 1 328.460 3.311 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000848550178 1321974100 /nfs/dbraw/zinc/97/41/00/1321974100.db2.gz FCGMBTZNBZNWMX-HRCADAONSA-N 2 1 327.513 3.141 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000848550178 1321974095 /nfs/dbraw/zinc/97/40/95/1321974095.db2.gz FCGMBTZNBZNWMX-HRCADAONSA-N 2 1 327.513 3.141 20 0 EGADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2noc3ccccc23)cc1 ZINC000848579927 1321979510 /nfs/dbraw/zinc/97/95/10/1321979510.db2.gz RQUVNRIYKDHXEE-UHFFFAOYSA-N 2 1 325.412 3.058 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NC2CC(C[NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC000962534878 1321990493 /nfs/dbraw/zinc/99/04/93/1321990493.db2.gz AYXMCFIUCATCCO-LMDPOFIKSA-N 2 1 349.563 3.029 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000918748407 1321991169 /nfs/dbraw/zinc/99/11/69/1321991169.db2.gz YNMJOIHTDJPCTQ-INIZCTEOSA-N 2 1 330.394 3.203 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1cccc(Cl)c1 ZINC000849064780 1322064524 /nfs/dbraw/zinc/06/45/24/1322064524.db2.gz HGEIUOIEXWCWOW-INIZCTEOSA-N 2 1 336.911 3.216 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)c2cccc(F)c2)cc1F ZINC000920426165 1322175846 /nfs/dbraw/zinc/17/58/46/1322175846.db2.gz XYTWTRDEIQDWFT-LJQANCHMSA-N 2 1 343.377 3.282 20 0 EGADMP Cc1c[nH]c(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC000850217397 1322208607 /nfs/dbraw/zinc/20/86/07/1322208607.db2.gz CHMSWCQXHXPWFY-UHFFFAOYSA-N 2 1 327.476 3.108 20 0 EGADMP Cc1nn(C)c(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1Cl ZINC000921545564 1322347249 /nfs/dbraw/zinc/34/72/49/1322347249.db2.gz YCMCYOPWVZDJMX-OKILXGFUSA-N 2 1 326.916 3.230 20 0 EGADMP CCCC[N@@H+](C[C@@H]1CC2(CC2)C(=O)O1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931032915 1329033944 /nfs/dbraw/zinc/03/39/44/1329033944.db2.gz BXNCMBNFLBBHAA-INIZCTEOSA-N 2 1 336.520 3.493 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000923321629 1322733988 /nfs/dbraw/zinc/73/39/88/1322733988.db2.gz GIUOLQKRRRIQSG-VKEMMKHGSA-N 3 1 333.564 3.351 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000923321629 1322733993 /nfs/dbraw/zinc/73/39/93/1322733993.db2.gz GIUOLQKRRRIQSG-VKEMMKHGSA-N 2 1 333.564 3.351 20 0 EGADMP Cc1ccnc(NC[C@@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000923326583 1322735040 /nfs/dbraw/zinc/73/50/40/1322735040.db2.gz MMPVTWKBLQOYLC-HRVKUGKESA-N 2 1 328.504 3.045 20 0 EGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000923326583 1322735042 /nfs/dbraw/zinc/73/50/42/1322735042.db2.gz MMPVTWKBLQOYLC-HRVKUGKESA-N 3 1 328.504 3.045 20 0 EGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000923326583 1322735047 /nfs/dbraw/zinc/73/50/47/1322735047.db2.gz MMPVTWKBLQOYLC-HRVKUGKESA-N 3 1 328.504 3.045 20 0 EGADMP [NH3+]C[C@@H]([NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)C1CCCCC1 ZINC000923375184 1322742416 /nfs/dbraw/zinc/74/24/16/1322742416.db2.gz ZCFRXIXKCNDIJI-LEWJYISDSA-N 2 1 326.484 3.240 20 0 EGADMP C(C[NH2+]C1CC1)C[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000923399451 1322745460 /nfs/dbraw/zinc/74/54/60/1322745460.db2.gz SABKNUXRPUPAPY-UHFFFAOYSA-N 2 1 332.492 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC3CCCCC3)C2)CC[N@H+]1C ZINC001023995220 1323067841 /nfs/dbraw/zinc/06/78/41/1323067841.db2.gz LGNQNTLBZCLZPW-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000851924706 1323115133 /nfs/dbraw/zinc/11/51/33/1323115133.db2.gz QAVDOPHQDNWDKP-NVXWUHKLSA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000851924706 1323115141 /nfs/dbraw/zinc/11/51/41/1323115141.db2.gz QAVDOPHQDNWDKP-NVXWUHKLSA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000851924706 1323115147 /nfs/dbraw/zinc/11/51/47/1323115147.db2.gz QAVDOPHQDNWDKP-NVXWUHKLSA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000851924706 1323115153 /nfs/dbraw/zinc/11/51/53/1323115153.db2.gz QAVDOPHQDNWDKP-NVXWUHKLSA-N 2 1 344.421 3.196 20 0 EGADMP C[C@H](C[NH2+][C@H](C)c1cccc(Br)n1)C[NH+]1CCCC1 ZINC000924713051 1323127922 /nfs/dbraw/zinc/12/79/22/1323127922.db2.gz CJIAVRKRBRGLRH-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP CCCC[NH+]1CCC([NH2+][C@H](C)[C@H](NC(C)=O)c2ccccc2F)CC1 ZINC000924845014 1323185683 /nfs/dbraw/zinc/18/56/83/1323185683.db2.gz CWSJIOAACSFLCR-QRWLVFNGSA-N 2 1 349.494 3.246 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc(Br)n1 ZINC000924947765 1323224615 /nfs/dbraw/zinc/22/46/15/1323224615.db2.gz AVKFOJHSOURUIP-NWDGAFQWSA-N 2 1 337.265 3.336 20 0 EGADMP C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852708492 1323229843 /nfs/dbraw/zinc/22/98/43/1323229843.db2.gz CCSUYHFIFRCCMU-DYVFJYSZSA-N 2 1 342.405 3.297 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ncco3)CC2)cs1 ZINC000925030821 1323250339 /nfs/dbraw/zinc/25/03/39/1323250339.db2.gz JJVYNYVUQMGROU-ZDUSSCGKSA-N 2 1 334.489 3.256 20 0 EGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1 ZINC000925051685 1323257716 /nfs/dbraw/zinc/25/77/16/1323257716.db2.gz LIGRSUQUXMVRSO-JCYILVPMSA-N 2 1 339.524 3.144 20 0 EGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1 ZINC000925051685 1323257724 /nfs/dbraw/zinc/25/77/24/1323257724.db2.gz LIGRSUQUXMVRSO-JCYILVPMSA-N 2 1 339.524 3.144 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925058307 1323260004 /nfs/dbraw/zinc/26/00/04/1323260004.db2.gz XSNCGOUNVWMNJP-UWJYYQICSA-N 3 1 345.531 3.042 20 0 EGADMP CON1CCC([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CC1 ZINC000925110798 1323287191 /nfs/dbraw/zinc/28/71/91/1323287191.db2.gz ITBJLQXTXZVJCH-KRWDZBQOSA-N 2 1 331.504 3.265 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCCCC1 ZINC001024365952 1323338426 /nfs/dbraw/zinc/33/84/26/1323338426.db2.gz KXKICFMQUIFEMS-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCCCC1 ZINC001024365952 1323338433 /nfs/dbraw/zinc/33/84/33/1323338433.db2.gz KXKICFMQUIFEMS-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCCCC1 ZINC001024365952 1323338442 /nfs/dbraw/zinc/33/84/42/1323338442.db2.gz KXKICFMQUIFEMS-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001024365803 1323339129 /nfs/dbraw/zinc/33/91/29/1323339129.db2.gz HYXRFYMGIOZPEF-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCCC1 ZINC001024365803 1323339137 /nfs/dbraw/zinc/33/91/37/1323339137.db2.gz HYXRFYMGIOZPEF-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCCC1 ZINC001024365803 1323339141 /nfs/dbraw/zinc/33/91/41/1323339141.db2.gz HYXRFYMGIOZPEF-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024437641 1323398317 /nfs/dbraw/zinc/39/83/17/1323398317.db2.gz UKFJWWYOMWKSRX-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001024437641 1323398327 /nfs/dbraw/zinc/39/83/27/1323398327.db2.gz UKFJWWYOMWKSRX-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC(C)(C)C ZINC001024437641 1323398333 /nfs/dbraw/zinc/39/83/33/1323398333.db2.gz UKFJWWYOMWKSRX-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024469231 1323425266 /nfs/dbraw/zinc/42/52/66/1323425266.db2.gz QHJQIMAVDSJXAT-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC001024469231 1323425273 /nfs/dbraw/zinc/42/52/73/1323425273.db2.gz QHJQIMAVDSJXAT-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccsc1 ZINC001024469231 1323425278 /nfs/dbraw/zinc/42/52/78/1323425278.db2.gz QHJQIMAVDSJXAT-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479152 1323431770 /nfs/dbraw/zinc/43/17/70/1323431770.db2.gz AOEDDZKKHBCTGA-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479152 1323431774 /nfs/dbraw/zinc/43/17/74/1323431774.db2.gz AOEDDZKKHBCTGA-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479152 1323431780 /nfs/dbraw/zinc/43/17/80/1323431780.db2.gz AOEDDZKKHBCTGA-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CC2CC(C)C2)CC1 ZINC001024740029 1323639559 /nfs/dbraw/zinc/63/95/59/1323639559.db2.gz GXVQLUGAGYWXRF-AFMYVXGZSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCCC[N@@H+]1C/C=C/Cl ZINC001024814412 1323718371 /nfs/dbraw/zinc/71/83/71/1323718371.db2.gz SPUVOXUVYJKFHM-ZBZNSMLMSA-N 2 1 349.906 3.085 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCCC[N@H+]1C/C=C/Cl ZINC001024814412 1323718372 /nfs/dbraw/zinc/71/83/72/1323718372.db2.gz SPUVOXUVYJKFHM-ZBZNSMLMSA-N 2 1 349.906 3.085 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001024978897 1323810970 /nfs/dbraw/zinc/81/09/70/1323810970.db2.gz JCXIBZSCCRZPMG-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC001024983405 1323813421 /nfs/dbraw/zinc/81/34/21/1323813421.db2.gz QPSDVFRSHYOIAV-FXAWDEMLSA-N 2 1 343.515 3.203 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001024984918 1323813483 /nfs/dbraw/zinc/81/34/83/1323813483.db2.gz KLZYYQYBMPMLLE-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432180 1329116079 /nfs/dbraw/zinc/11/60/79/1329116079.db2.gz XQFAWIAGSKIWEJ-AYOQOUSVSA-N 2 1 343.515 3.022 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432180 1329116081 /nfs/dbraw/zinc/11/60/81/1329116081.db2.gz XQFAWIAGSKIWEJ-AYOQOUSVSA-N 2 1 343.515 3.022 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432180 1329116084 /nfs/dbraw/zinc/11/60/84/1329116084.db2.gz XQFAWIAGSKIWEJ-AYOQOUSVSA-N 2 1 343.515 3.022 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432180 1329116086 /nfs/dbraw/zinc/11/60/86/1329116086.db2.gz XQFAWIAGSKIWEJ-AYOQOUSVSA-N 2 1 343.515 3.022 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432180 1329116089 /nfs/dbraw/zinc/11/60/89/1329116089.db2.gz XQFAWIAGSKIWEJ-AYOQOUSVSA-N 2 1 343.515 3.022 20 0 EGADMP CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931429916 1329116178 /nfs/dbraw/zinc/11/61/78/1329116178.db2.gz JQBTZFJSCMGPOO-ZJPYXAASSA-N 2 1 343.515 3.411 20 0 EGADMP CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931429916 1329116180 /nfs/dbraw/zinc/11/61/80/1329116180.db2.gz JQBTZFJSCMGPOO-ZJPYXAASSA-N 2 1 343.515 3.411 20 0 EGADMP CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931429916 1329116184 /nfs/dbraw/zinc/11/61/84/1329116184.db2.gz JQBTZFJSCMGPOO-ZJPYXAASSA-N 2 1 343.515 3.411 20 0 EGADMP CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931429916 1329116186 /nfs/dbraw/zinc/11/61/86/1329116186.db2.gz JQBTZFJSCMGPOO-ZJPYXAASSA-N 2 1 343.515 3.411 20 0 EGADMP Cc1cc(C)c(NC(=O)CCC[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(C)c1 ZINC000931437231 1329117427 /nfs/dbraw/zinc/11/74/27/1329117427.db2.gz FDBUYBPOLJXITH-MOPGFXCFSA-N 2 1 343.515 3.214 20 0 EGADMP Cc1cc(C)c(NC(=O)CCC[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(C)c1 ZINC000931437231 1329117433 /nfs/dbraw/zinc/11/74/33/1329117433.db2.gz FDBUYBPOLJXITH-MOPGFXCFSA-N 2 1 343.515 3.214 20 0 EGADMP Cc1cc(C)c(NC(=O)CCC[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(C)c1 ZINC000931437231 1329117434 /nfs/dbraw/zinc/11/74/34/1329117434.db2.gz FDBUYBPOLJXITH-MOPGFXCFSA-N 2 1 343.515 3.214 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001025168398 1323937673 /nfs/dbraw/zinc/93/76/73/1323937673.db2.gz BXKLHYANEPDHCR-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+](C)CC1(O)CC[NH+](Cc2nc(C3CCCCC3)cs2)CC1 ZINC000931482611 1329128052 /nfs/dbraw/zinc/12/80/52/1329128052.db2.gz ZIPCRPSECVLQEY-UHFFFAOYSA-N 2 1 337.533 3.079 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025248096 1324048871 /nfs/dbraw/zinc/04/88/71/1324048871.db2.gz VJZMMESZEPDZPL-OALUTQOASA-N 2 1 347.547 3.260 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259053 1324069181 /nfs/dbraw/zinc/06/91/81/1324069181.db2.gz NDJDLUBJYGWOTI-QZTJIDSGSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001025286293 1324107490 /nfs/dbraw/zinc/10/74/90/1324107490.db2.gz IOUYTZIZVLIYNB-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294642 1324123899 /nfs/dbraw/zinc/12/38/99/1324123899.db2.gz LYYDPQKLAVEWOM-RBUKOAKNSA-N 2 1 344.503 3.003 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294642 1324123901 /nfs/dbraw/zinc/12/39/01/1324123901.db2.gz LYYDPQKLAVEWOM-RBUKOAKNSA-N 2 1 344.503 3.003 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC001025295672 1324126659 /nfs/dbraw/zinc/12/66/59/1324126659.db2.gz QAJGRPSYOYHGGN-PMACEKPBSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025453698 1324294954 /nfs/dbraw/zinc/29/49/54/1324294954.db2.gz SUKBDFUHXFAYQP-OALUTQOASA-N 2 1 347.547 3.045 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557240 1324406464 /nfs/dbraw/zinc/40/64/64/1324406464.db2.gz FPRSSOKNVFQAKK-XLIONFOSSA-N 2 1 345.531 3.379 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025630796 1324483135 /nfs/dbraw/zinc/48/31/35/1324483135.db2.gz WMXBVJQXADHLEV-QZTJIDSGSA-N 2 1 345.531 3.379 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026503495 1324853482 /nfs/dbraw/zinc/85/34/82/1324853482.db2.gz WZBXEQYPTCSKSM-CTWPCTMYSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC2CCC([NH2+]CC3CC(C)(C)C3)CC2)CC[N@H+]1C ZINC001026549303 1324886327 /nfs/dbraw/zinc/88/63/27/1324886327.db2.gz IHGBYPVRDPOJKJ-FLODPWGTSA-N 2 1 349.563 3.170 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001026561413 1324896696 /nfs/dbraw/zinc/89/66/96/1324896696.db2.gz ZVBVWJGLBPHNQE-KKXNLOMOSA-N 2 1 347.547 3.378 20 0 EGADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001027017672 1325157445 /nfs/dbraw/zinc/15/74/45/1325157445.db2.gz ZJOSOESIDRBTPN-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H](CC[NH2+]Cc1c(-c2ccccc2)nc2sccn12)[NH+](C)C ZINC000853824541 1325168514 /nfs/dbraw/zinc/16/85/14/1325168514.db2.gz JCSHZAYWXSPKGH-CQSZACIVSA-N 2 1 328.485 3.493 20 0 EGADMP c1csc(C[NH+]2CCC(CN[C@H]3CC[NH2+]C34CCCC4)CC2)c1 ZINC000925533197 1325195591 /nfs/dbraw/zinc/19/55/91/1325195591.db2.gz YSORHLGQURJWGK-SFHVURJKSA-N 2 1 333.545 3.224 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925556078 1325207232 /nfs/dbraw/zinc/20/72/32/1325207232.db2.gz JTLXPDMOSMBOPR-PPLKHSGQSA-N 2 1 327.516 3.003 20 0 EGADMP O=C(C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)Nc1ccc(Cl)cc1 ZINC000925571671 1325215954 /nfs/dbraw/zinc/21/59/54/1325215954.db2.gz FRSVUQSAQNRVBK-SJORKVTESA-N 2 1 335.879 3.036 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001027103902 1325229080 /nfs/dbraw/zinc/22/90/80/1325229080.db2.gz IFPYNWYWXLPGSO-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C2CCC([NH2+]CCC3CC3)CC2)C1 ZINC000963420061 1325230117 /nfs/dbraw/zinc/23/01/17/1325230117.db2.gz GJEYHVNBEZXPOU-XEVCZEQESA-N 2 1 349.563 3.124 20 0 EGADMP c1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925801043 1325307563 /nfs/dbraw/zinc/30/75/63/1325307563.db2.gz YVSVPJGPXUDJRU-AABGKKOBSA-N 2 1 328.500 3.461 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CCC([NH2+]CCC3CCCC3)CC2)C1 ZINC000963902605 1325428679 /nfs/dbraw/zinc/42/86/79/1325428679.db2.gz NVYXDXXVDLJBBB-KKXNLOMOSA-N 2 1 349.563 3.268 20 0 EGADMP CC1(C)OCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CO1 ZINC000926161433 1325451864 /nfs/dbraw/zinc/45/18/64/1325451864.db2.gz OPMPGQLLMIQMBB-CTXDPNEZSA-N 2 1 344.499 3.313 20 0 EGADMP CC1(C)OCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC000926161433 1325451868 /nfs/dbraw/zinc/45/18/68/1325451868.db2.gz OPMPGQLLMIQMBB-CTXDPNEZSA-N 2 1 344.499 3.313 20 0 EGADMP OCC1(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000926535034 1325589593 /nfs/dbraw/zinc/58/95/93/1325589593.db2.gz KSTXORZBWKILLV-IHWFROFDSA-N 2 1 328.500 3.324 20 0 EGADMP CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411117 1327636567 /nfs/dbraw/zinc/63/65/67/1327636567.db2.gz MRQQSOBHVRHUHU-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001027411117 1327636574 /nfs/dbraw/zinc/63/65/74/1327636574.db2.gz MRQQSOBHVRHUHU-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001027411117 1327636582 /nfs/dbraw/zinc/63/65/82/1327636582.db2.gz MRQQSOBHVRHUHU-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000926664398 1327657776 /nfs/dbraw/zinc/65/77/76/1327657776.db2.gz VPMFPTFHWHRRMK-LJQANCHMSA-N 2 1 329.488 3.040 20 0 EGADMP Cc1cccc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001027562324 1327883016 /nfs/dbraw/zinc/88/30/16/1327883016.db2.gz MURAMKUOLSYQOG-VQTJNVASSA-N 2 1 345.531 3.004 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH+](C)CCC3=CCCCC3)C2)C1 ZINC001027576633 1327914573 /nfs/dbraw/zinc/91/45/73/1327914573.db2.gz SPJDKIQIWPGOEB-QUCCMNQESA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H]([N@H+](C)CCC3=CCCCC3)C2)C1 ZINC001027576633 1327914579 /nfs/dbraw/zinc/91/45/79/1327914579.db2.gz SPJDKIQIWPGOEB-QUCCMNQESA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H]([N@@H+](C)CCC3=CCCCC3)C2)C1 ZINC001027576633 1327914585 /nfs/dbraw/zinc/91/45/85/1327914585.db2.gz SPJDKIQIWPGOEB-QUCCMNQESA-N 2 1 347.547 3.142 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC[C@H]([N@@H+](C)CC3=CCCCC3)C2)CC1 ZINC001027628487 1327991958 /nfs/dbraw/zinc/99/19/58/1327991958.db2.gz CRWICTRNOONZCG-FQEVSTJZSA-N 2 1 347.547 3.142 20 0 EGADMP C[N@@H+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680654 1328077630 /nfs/dbraw/zinc/07/76/30/1328077630.db2.gz IKNLGPOINRVPKI-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027680654 1328077636 /nfs/dbraw/zinc/07/76/36/1328077636.db2.gz IKNLGPOINRVPKI-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027680654 1328077644 /nfs/dbraw/zinc/07/76/44/1328077644.db2.gz IKNLGPOINRVPKI-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC001027693467 1328099377 /nfs/dbraw/zinc/09/93/77/1328099377.db2.gz ZCEKXUXBVUUARC-LJQANCHMSA-N 2 1 343.515 3.085 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCCC1 ZINC001027971833 1328445288 /nfs/dbraw/zinc/44/52/88/1328445288.db2.gz MWTNCVBQYJPKHP-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCCCC1 ZINC001027971833 1328445290 /nfs/dbraw/zinc/44/52/90/1328445290.db2.gz MWTNCVBQYJPKHP-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCCCC1 ZINC001027971833 1328445293 /nfs/dbraw/zinc/44/52/93/1328445293.db2.gz MWTNCVBQYJPKHP-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027982637 1328455732 /nfs/dbraw/zinc/45/57/32/1328455732.db2.gz SRSDOWQXALPSHX-KRWDZBQOSA-N 2 1 342.487 3.273 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CC1=CCCCC1)c1ccn2c[nH+]cc2c1 ZINC001028003028 1328465302 /nfs/dbraw/zinc/46/53/02/1328465302.db2.gz KGYAPGQYXPPWFJ-GOSISDBHSA-N 2 1 338.455 3.029 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH+](C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000862481882 1329489494 /nfs/dbraw/zinc/48/94/94/1329489494.db2.gz APACTFOIBBWTRT-GIVPXCGWSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@H+](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000862481882 1329489495 /nfs/dbraw/zinc/48/94/95/1329489495.db2.gz APACTFOIBBWTRT-GIVPXCGWSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@@H+](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000862481882 1329489496 /nfs/dbraw/zinc/48/94/96/1329489496.db2.gz APACTFOIBBWTRT-GIVPXCGWSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CN(Cc2ccccc2)C1 ZINC000862481882 1329489497 /nfs/dbraw/zinc/48/94/97/1329489497.db2.gz APACTFOIBBWTRT-GIVPXCGWSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CN(Cc2ccccc2)C1 ZINC000862481882 1329489498 /nfs/dbraw/zinc/48/94/98/1329489498.db2.gz APACTFOIBBWTRT-GIVPXCGWSA-N 2 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000865413598 1329693830 /nfs/dbraw/zinc/69/38/30/1329693830.db2.gz PLGBJIWQXAMVPC-UHFFFAOYSA-N 2 1 347.547 3.371 20 0 EGADMP Cn1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(-c2cc(F)ccc2F)n1 ZINC000865600366 1329718343 /nfs/dbraw/zinc/71/83/43/1329718343.db2.gz KYSFFVXTEHELSF-CQSZACIVSA-N 2 1 348.441 3.187 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[NH+]2C(C)C)c1 ZINC000932481681 1329817657 /nfs/dbraw/zinc/81/76/57/1329817657.db2.gz ZIEWFWRNJKNAHL-LJQANCHMSA-N 2 1 331.504 3.016 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC000932481681 1329817658 /nfs/dbraw/zinc/81/76/58/1329817658.db2.gz ZIEWFWRNJKNAHL-LJQANCHMSA-N 2 1 331.504 3.016 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC000932481681 1329817660 /nfs/dbraw/zinc/81/76/60/1329817660.db2.gz ZIEWFWRNJKNAHL-LJQANCHMSA-N 2 1 331.504 3.016 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932700792 1329835198 /nfs/dbraw/zinc/83/51/98/1329835198.db2.gz BAPQJFMPGRJLKB-IAGOWNOFSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932700792 1329835200 /nfs/dbraw/zinc/83/52/00/1329835200.db2.gz BAPQJFMPGRJLKB-IAGOWNOFSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932700792 1329835201 /nfs/dbraw/zinc/83/52/01/1329835201.db2.gz BAPQJFMPGRJLKB-IAGOWNOFSA-N 2 1 339.524 3.098 20 0 EGADMP CC(C)c1nccn1CC(=O)N[C@@H]1CC[N@@H+](CCC2CC2)CC1(C)C ZINC000941068717 1331318665 /nfs/dbraw/zinc/31/86/65/1331318665.db2.gz STMSNALZBAGEAM-QGZVFWFLSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC1(C)C ZINC000941068717 1331318668 /nfs/dbraw/zinc/31/86/68/1331318668.db2.gz STMSNALZBAGEAM-QGZVFWFLSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCC2CC2)CC1(C)C ZINC000941068717 1331318672 /nfs/dbraw/zinc/31/86/72/1331318672.db2.gz STMSNALZBAGEAM-QGZVFWFLSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943516764 1332192073 /nfs/dbraw/zinc/19/20/73/1332192073.db2.gz MQKFFPVICLVFMF-FXAWDEMLSA-N 2 1 345.531 3.235 20 0 EGADMP C[C@H]1C[N@@H+](CC2CCC(C)(C)CC2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944919969 1332454434 /nfs/dbraw/zinc/45/44/34/1332454434.db2.gz RNHCFDUWRZAZPJ-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902372 1332928276 /nfs/dbraw/zinc/92/82/76/1332928276.db2.gz MOLVUSHEXLLRRL-ZRNYENFQSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC[C@@H]2C1 ZINC000946902372 1332928278 /nfs/dbraw/zinc/92/82/78/1332928278.db2.gz MOLVUSHEXLLRRL-ZRNYENFQSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC[C@@H]2C1 ZINC000946902372 1332928281 /nfs/dbraw/zinc/92/82/81/1332928281.db2.gz MOLVUSHEXLLRRL-ZRNYENFQSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1CCC(C)(C)C ZINC000947438092 1333127733 /nfs/dbraw/zinc/12/77/33/1333127733.db2.gz UKXGPGFLLNFMCY-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CC1CCCCC1 ZINC000947498571 1333148061 /nfs/dbraw/zinc/14/80/61/1333148061.db2.gz WBHBBBPZIFXLKJ-PKOBYXMFSA-N 2 1 347.547 3.164 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947569390 1333175456 /nfs/dbraw/zinc/17/54/56/1333175456.db2.gz XFZPFHQPWFXFRI-HKUYNNGSSA-N 2 1 345.531 3.174 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947800190 1333265419 /nfs/dbraw/zinc/26/54/19/1333265419.db2.gz GPTCYAFRHJNUTL-XLIONFOSSA-N 2 1 343.515 3.297 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[N@@H+]1CCC(C)(C)C ZINC000947939889 1333313089 /nfs/dbraw/zinc/31/30/89/1333313089.db2.gz LZHAGBVOGBRQSR-CVEARBPZSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[N@H+]1CCC(C)(C)C ZINC000947939889 1333313094 /nfs/dbraw/zinc/31/30/94/1333313094.db2.gz LZHAGBVOGBRQSR-CVEARBPZSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948055446 1333357241 /nfs/dbraw/zinc/35/72/41/1333357241.db2.gz CEJZLTAGJCYIQJ-FXAWDEMLSA-N 2 1 345.531 3.377 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948066986 1333362079 /nfs/dbraw/zinc/36/20/79/1333362079.db2.gz SYHHBLMRBLUJDL-MJGOQNOKSA-N 2 1 343.515 3.297 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000948554220 1333573309 /nfs/dbraw/zinc/57/33/09/1333573309.db2.gz SFLIIUWKLVGXIF-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC000948554220 1333573310 /nfs/dbraw/zinc/57/33/10/1333573310.db2.gz SFLIIUWKLVGXIF-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC000948554220 1333573312 /nfs/dbraw/zinc/57/33/12/1333573312.db2.gz SFLIIUWKLVGXIF-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC(C)C)CC1 ZINC000948574345 1333582346 /nfs/dbraw/zinc/58/23/46/1333582346.db2.gz FILLMZOSIXEVMO-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC(C)C)CC1 ZINC000948574345 1333582348 /nfs/dbraw/zinc/58/23/48/1333582348.db2.gz FILLMZOSIXEVMO-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC(C)C)CC1 ZINC000948574345 1333582351 /nfs/dbraw/zinc/58/23/51/1333582351.db2.gz FILLMZOSIXEVMO-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948575139 1333583100 /nfs/dbraw/zinc/58/31/00/1333583100.db2.gz QIPVAODZYGTEOY-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948575139 1333583105 /nfs/dbraw/zinc/58/31/05/1333583105.db2.gz QIPVAODZYGTEOY-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948575139 1333583108 /nfs/dbraw/zinc/58/31/08/1333583108.db2.gz QIPVAODZYGTEOY-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948829684 1333702064 /nfs/dbraw/zinc/70/20/64/1333702064.db2.gz STFCJYRMNICPJE-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948829684 1333702065 /nfs/dbraw/zinc/70/20/65/1333702065.db2.gz STFCJYRMNICPJE-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948829684 1333702068 /nfs/dbraw/zinc/70/20/68/1333702068.db2.gz STFCJYRMNICPJE-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948851862 1333709606 /nfs/dbraw/zinc/70/96/06/1333709606.db2.gz COPWDXNIDQKPEB-FQEVSTJZSA-N 2 1 345.531 3.331 20 0 EGADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CC[NH+](CC2CCCC2)CC1 ZINC000949824410 1333934107 /nfs/dbraw/zinc/93/41/07/1333934107.db2.gz FUWHWXXIDDZKHB-HXUWFJFHSA-N 2 1 347.547 3.118 20 0 EGADMP CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1C[NH+](CC2CCCCC2)C1 ZINC000950614584 1334097321 /nfs/dbraw/zinc/09/73/21/1334097321.db2.gz GNMWJPGIZSPQAY-AZUAARDMSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC)C2C[NH+](CCCC3CCC3)C2)C1 ZINC000951211824 1334209643 /nfs/dbraw/zinc/20/96/43/1334209643.db2.gz BBHSKJWUZBZBGK-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1C[NH+](CCCC2CCC2)C1 ZINC000952444196 1334460674 /nfs/dbraw/zinc/46/06/74/1334460674.db2.gz JMKADVDXAFVNKP-ICSRJNTNSA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1C[NH+](CCCC2CCC2)C1 ZINC000952444196 1334460678 /nfs/dbraw/zinc/46/06/78/1334460678.db2.gz JMKADVDXAFVNKP-ICSRJNTNSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC(C)(C)C)C[C@@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000967265123 1335681276 /nfs/dbraw/zinc/68/12/76/1335681276.db2.gz SINBFNRFWAEWMP-QAPCUYQASA-N 2 1 342.487 3.211 20 0 EGADMP C[C@H]1CC[N@@H+](CC2=CCCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968330962 1335892343 /nfs/dbraw/zinc/89/23/43/1335892343.db2.gz ICJSNIIAFCGOCX-PKOBYXMFSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1CC[NH+](CC2=CCCCC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000968330962 1335892344 /nfs/dbraw/zinc/89/23/44/1335892344.db2.gz ICJSNIIAFCGOCX-PKOBYXMFSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1CC[NH+](CC2=CCCCC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000968330962 1335892347 /nfs/dbraw/zinc/89/23/47/1335892347.db2.gz ICJSNIIAFCGOCX-PKOBYXMFSA-N 2 1 347.547 3.045 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2C[N@@H+](CC3=CCCCC3)CC[C@@H]2C)CC1 ZINC000968460245 1335932428 /nfs/dbraw/zinc/93/24/28/1335932428.db2.gz RKUMNVGZHGEDKE-ICSRJNTNSA-N 2 1 347.547 3.045 20 0 EGADMP CCCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968689039 1336012377 /nfs/dbraw/zinc/01/23/77/1336012377.db2.gz RVKYXCNYLOHFQB-AEFFLSMTSA-N 2 1 349.519 3.362 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCCC1CCC1 ZINC000968782710 1336048505 /nfs/dbraw/zinc/04/85/05/1336048505.db2.gz YQQCCUHOQDTRRJ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCCC1CCC1 ZINC000968782710 1336048507 /nfs/dbraw/zinc/04/85/07/1336048507.db2.gz YQQCCUHOQDTRRJ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCCC1CCC1 ZINC000968782710 1336048508 /nfs/dbraw/zinc/04/85/08/1336048508.db2.gz YQQCCUHOQDTRRJ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000968849956 1336067890 /nfs/dbraw/zinc/06/78/90/1336067890.db2.gz KTPWETSCRITJAO-OALUTQOASA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968849956 1336067892 /nfs/dbraw/zinc/06/78/92/1336067892.db2.gz KTPWETSCRITJAO-OALUTQOASA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968849956 1336067893 /nfs/dbraw/zinc/06/78/93/1336067893.db2.gz KTPWETSCRITJAO-OALUTQOASA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968856147 1336069670 /nfs/dbraw/zinc/06/96/70/1336069670.db2.gz FKFQEFIZCMAWLY-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968888173 1336080610 /nfs/dbraw/zinc/08/06/10/1336080610.db2.gz QTUZRFWAOKVBST-ZWKOTPCHSA-N 2 1 344.503 3.088 20 0 EGADMP CC(C)=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968888173 1336080616 /nfs/dbraw/zinc/08/06/16/1336080616.db2.gz QTUZRFWAOKVBST-ZWKOTPCHSA-N 2 1 344.503 3.088 20 0 EGADMP CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968888469 1336080759 /nfs/dbraw/zinc/08/07/59/1336080759.db2.gz VQEUVHUKCFPPAR-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000968888469 1336080763 /nfs/dbraw/zinc/08/07/63/1336080763.db2.gz VQEUVHUKCFPPAR-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000968888469 1336080766 /nfs/dbraw/zinc/08/07/66/1336080766.db2.gz VQEUVHUKCFPPAR-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC(C)C ZINC000968928059 1336091835 /nfs/dbraw/zinc/09/18/35/1336091835.db2.gz ASUQNIZHKONYOD-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC(C)C ZINC000968928059 1336091839 /nfs/dbraw/zinc/09/18/39/1336091839.db2.gz ASUQNIZHKONYOD-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC(C)C ZINC000968928059 1336091842 /nfs/dbraw/zinc/09/18/42/1336091842.db2.gz ASUQNIZHKONYOD-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968926142 1336092048 /nfs/dbraw/zinc/09/20/48/1336092048.db2.gz VSHLHMAMQLTACJ-QGZVFWFLSA-N 2 1 342.487 3.417 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1CC1 ZINC000968928512 1336092959 /nfs/dbraw/zinc/09/29/59/1336092959.db2.gz MWUKCUMPGJFCKK-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CC1 ZINC000968928512 1336092961 /nfs/dbraw/zinc/09/29/61/1336092961.db2.gz MWUKCUMPGJFCKK-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CC1 ZINC000968928512 1336092963 /nfs/dbraw/zinc/09/29/63/1336092963.db2.gz MWUKCUMPGJFCKK-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000968928918 1336093561 /nfs/dbraw/zinc/09/35/61/1336093561.db2.gz XHYMKNWNNGNBBC-PMACEKPBSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928918 1336093562 /nfs/dbraw/zinc/09/35/62/1336093562.db2.gz XHYMKNWNNGNBBC-PMACEKPBSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928918 1336093563 /nfs/dbraw/zinc/09/35/63/1336093563.db2.gz XHYMKNWNNGNBBC-PMACEKPBSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC2CCC2)C1 ZINC000968990319 1336111880 /nfs/dbraw/zinc/11/18/80/1336111880.db2.gz ASJSXTJMXXZURN-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC2CCC2)C1 ZINC000968990319 1336111881 /nfs/dbraw/zinc/11/18/81/1336111881.db2.gz ASJSXTJMXXZURN-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC2CCC2)C1 ZINC000968990319 1336111889 /nfs/dbraw/zinc/11/18/89/1336111889.db2.gz ASJSXTJMXXZURN-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccccc1Cl ZINC000969635959 1336231890 /nfs/dbraw/zinc/23/18/90/1336231890.db2.gz DTCSMWHKDSWEPV-RKVPGOIHSA-N 2 1 349.906 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CC3CCCCCC3)C2)CC[N@H+]1C ZINC000969707704 1336238594 /nfs/dbraw/zinc/23/85/94/1336238594.db2.gz XDKBHUVHOBOXPH-FFZOFVMBSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000970528499 1336317805 /nfs/dbraw/zinc/31/78/05/1336317805.db2.gz HHKKQLUGRJOCKD-XLIONFOSSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000970528903 1336317888 /nfs/dbraw/zinc/31/78/88/1336317888.db2.gz JXQGIKYXJQKIMR-QFBILLFUSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C1CC[NH+](CC2CCCC2)CC1 ZINC001005502461 1336362791 /nfs/dbraw/zinc/36/27/91/1336362791.db2.gz FZXDJNJZJBTMLG-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005503970 1336363610 /nfs/dbraw/zinc/36/36/10/1336363610.db2.gz OLYSCKHRVLCWKF-FXAWDEMLSA-N 2 1 349.563 3.362 20 0 EGADMP COc1ccc(Br)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205617840 1370813516 /nfs/dbraw/zinc/81/35/16/1370813516.db2.gz OLPBQTATOSEGCZ-QWHCGFSZSA-N 2 1 341.293 3.265 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001007497137 1336657630 /nfs/dbraw/zinc/65/76/30/1336657630.db2.gz AVBFNKQXPYKCAB-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001007497137 1336657631 /nfs/dbraw/zinc/65/76/31/1336657631.db2.gz AVBFNKQXPYKCAB-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001007497137 1336657633 /nfs/dbraw/zinc/65/76/33/1336657633.db2.gz AVBFNKQXPYKCAB-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CCC3CCCC3)C2)C1 ZINC001007498045 1336658140 /nfs/dbraw/zinc/65/81/40/1336658140.db2.gz YSEKXXBBWGLRQK-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](CCC3CCCC3)C2)C1 ZINC001007498045 1336658142 /nfs/dbraw/zinc/65/81/42/1336658142.db2.gz YSEKXXBBWGLRQK-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCC3CCCC3)C2)C1 ZINC001007498045 1336658145 /nfs/dbraw/zinc/65/81/45/1336658145.db2.gz YSEKXXBBWGLRQK-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001007530791 1336665142 /nfs/dbraw/zinc/66/51/42/1336665142.db2.gz WFKHSOPTINLKNH-KZNAEPCWSA-N 2 1 344.503 3.064 20 0 EGADMP O=C(N[C@@H]1CCC[N@H+](CCCC2CCCC2)C1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001007530791 1336665144 /nfs/dbraw/zinc/66/51/44/1336665144.db2.gz WFKHSOPTINLKNH-KZNAEPCWSA-N 2 1 344.503 3.064 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001007530791 1336665145 /nfs/dbraw/zinc/66/51/45/1336665145.db2.gz WFKHSOPTINLKNH-KZNAEPCWSA-N 2 1 344.503 3.064 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001007648946 1336683578 /nfs/dbraw/zinc/68/35/78/1336683578.db2.gz VQCDDZKGDPDPJU-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001007648946 1336683579 /nfs/dbraw/zinc/68/35/79/1336683579.db2.gz VQCDDZKGDPDPJU-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001007648946 1336683582 /nfs/dbraw/zinc/68/35/82/1336683582.db2.gz VQCDDZKGDPDPJU-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007801907 1336703673 /nfs/dbraw/zinc/70/36/73/1336703673.db2.gz UNURABASDLSOEK-VQIMIIECSA-N 2 1 348.450 3.290 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2CCCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001008052747 1336759265 /nfs/dbraw/zinc/75/92/65/1336759265.db2.gz OPITTXXHTLGBMR-PMACEKPBSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001008164154 1336782997 /nfs/dbraw/zinc/78/29/97/1336782997.db2.gz RPSZRZJUJDDNNU-MJGOQNOKSA-N 2 1 343.515 3.203 20 0 EGADMP C[C@H]1C[N@H+](Cc2cnc(Br)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206002887 1370934171 /nfs/dbraw/zinc/93/41/71/1370934171.db2.gz CGXYKFXGPUSOQA-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cnc(Br)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206002887 1370934172 /nfs/dbraw/zinc/93/41/72/1370934172.db2.gz CGXYKFXGPUSOQA-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC3CCCCCC3)C2)CC1 ZINC001008403229 1336843419 /nfs/dbraw/zinc/84/34/19/1336843419.db2.gz FFKWQEWXYJDQHT-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001008531858 1336876942 /nfs/dbraw/zinc/87/69/42/1336876942.db2.gz MPOKEIQGMZLDCX-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001008531858 1336876947 /nfs/dbraw/zinc/87/69/47/1336876947.db2.gz MPOKEIQGMZLDCX-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001008531858 1336876950 /nfs/dbraw/zinc/87/69/50/1336876950.db2.gz MPOKEIQGMZLDCX-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP COc1cc(Br)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206022251 1370940950 /nfs/dbraw/zinc/94/09/50/1370940950.db2.gz BQIAIVUZRLYJHV-JSGCOSHPSA-N 2 1 341.293 3.265 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001008736416 1336918183 /nfs/dbraw/zinc/91/81/83/1336918183.db2.gz ILZKMJBJBOMFNO-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001008736416 1336918186 /nfs/dbraw/zinc/91/81/86/1336918186.db2.gz ILZKMJBJBOMFNO-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@@H+](CCC3CCCCC3)C2)CC1 ZINC001008763194 1336922461 /nfs/dbraw/zinc/92/24/61/1336922461.db2.gz XUGZXUGZXKGQCJ-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001008978154 1336951271 /nfs/dbraw/zinc/95/12/71/1336951271.db2.gz DNEYEUZJTBCLFE-UYAOXDASSA-N 2 1 343.515 3.060 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001009050607 1336960621 /nfs/dbraw/zinc/96/06/21/1336960621.db2.gz MJAPGNCBDYKREV-IBGZPJMESA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2csc(C)c2)C1 ZINC001009631371 1337049682 /nfs/dbraw/zinc/04/96/82/1337049682.db2.gz BNVBFXPEECAOKU-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2csc(C)c2)C1 ZINC001009631371 1337049685 /nfs/dbraw/zinc/04/96/85/1337049685.db2.gz BNVBFXPEECAOKU-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2csc(C)c2)C1 ZINC001009631371 1337049689 /nfs/dbraw/zinc/04/96/89/1337049689.db2.gz BNVBFXPEECAOKU-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2csc(C)c2)C1 ZINC001009631371 1337049694 /nfs/dbraw/zinc/04/96/94/1337049694.db2.gz BNVBFXPEECAOKU-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001009635823 1337050962 /nfs/dbraw/zinc/05/09/62/1337050962.db2.gz MMZJQQVHNQVQRF-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001009635823 1337050965 /nfs/dbraw/zinc/05/09/65/1337050965.db2.gz MMZJQQVHNQVQRF-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001009635823 1337050967 /nfs/dbraw/zinc/05/09/67/1337050967.db2.gz MMZJQQVHNQVQRF-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001014635695 1337854464 /nfs/dbraw/zinc/85/44/64/1337854464.db2.gz XFBMFIFSFVZVTA-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001014635695 1337854465 /nfs/dbraw/zinc/85/44/65/1337854465.db2.gz XFBMFIFSFVZVTA-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001014635695 1337854467 /nfs/dbraw/zinc/85/44/67/1337854467.db2.gz XFBMFIFSFVZVTA-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCC3CCCCC3)C2)C1 ZINC001014708313 1337877613 /nfs/dbraw/zinc/87/76/13/1337877613.db2.gz VVKZKYYKAKNBOC-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCC3CCCCC3)C2)C1 ZINC001014708313 1337877614 /nfs/dbraw/zinc/87/76/14/1337877614.db2.gz VVKZKYYKAKNBOC-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001014708313 1337877616 /nfs/dbraw/zinc/87/76/16/1337877616.db2.gz VVKZKYYKAKNBOC-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001014724026 1337885425 /nfs/dbraw/zinc/88/54/25/1337885425.db2.gz SRUCDUJHFLTUCB-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001014724026 1337885428 /nfs/dbraw/zinc/88/54/28/1337885428.db2.gz SRUCDUJHFLTUCB-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001014724026 1337885433 /nfs/dbraw/zinc/88/54/33/1337885433.db2.gz SRUCDUJHFLTUCB-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001014908879 1337947074 /nfs/dbraw/zinc/94/70/74/1337947074.db2.gz KLQINNLHHLSLPT-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001015116002 1338023712 /nfs/dbraw/zinc/02/37/12/1338023712.db2.gz YYAPVMUZSIOAEG-GOSISDBHSA-N 2 1 338.455 3.029 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015501542 1338160974 /nfs/dbraw/zinc/16/09/74/1338160974.db2.gz BFELZAGTWKGCCM-RTBURBONSA-N 2 1 343.515 3.203 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001015504580 1338162192 /nfs/dbraw/zinc/16/21/92/1338162192.db2.gz PNACCGNMUDNHAA-HKUYNNGSSA-N 2 1 343.515 3.121 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001015791177 1338311979 /nfs/dbraw/zinc/31/19/79/1338311979.db2.gz BQGUIWVNCBZAPJ-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001015791177 1338311984 /nfs/dbraw/zinc/31/19/84/1338311984.db2.gz BQGUIWVNCBZAPJ-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001015791177 1338311985 /nfs/dbraw/zinc/31/19/85/1338311985.db2.gz BQGUIWVNCBZAPJ-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001015793966 1338313034 /nfs/dbraw/zinc/31/30/34/1338313034.db2.gz DIXNVXCRZBXMEN-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001015793966 1338313039 /nfs/dbraw/zinc/31/30/39/1338313039.db2.gz DIXNVXCRZBXMEN-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001015793966 1338313040 /nfs/dbraw/zinc/31/30/40/1338313040.db2.gz DIXNVXCRZBXMEN-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795739 1338315329 /nfs/dbraw/zinc/31/53/29/1338315329.db2.gz RRKXERRWSIYAJB-AZUAARDMSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CCC3CCCC3)C2)c1 ZINC001016322637 1338549587 /nfs/dbraw/zinc/54/95/87/1338549587.db2.gz KDNOLDHIYBPHDA-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCC(C)(C)C)C2)o1 ZINC001016386366 1338585187 /nfs/dbraw/zinc/58/51/87/1338585187.db2.gz ZLWATGFZUYTNPX-MRXNPFEDSA-N 2 1 349.519 3.362 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)o1 ZINC001016385835 1338585255 /nfs/dbraw/zinc/58/52/55/1338585255.db2.gz UVEUXJISSMETPP-QGZVFWFLSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016661591 1338682588 /nfs/dbraw/zinc/68/25/88/1338682588.db2.gz GOMINQGNTXNKMC-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001016820512 1338738197 /nfs/dbraw/zinc/73/81/97/1338738197.db2.gz QGSSFTCFIHWHIS-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016984978 1338792732 /nfs/dbraw/zinc/79/27/32/1338792732.db2.gz HSHOAIPKSPHXOV-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016984982 1338793111 /nfs/dbraw/zinc/79/31/11/1338793111.db2.gz HSHOAIPKSPHXOV-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001017146757 1338896324 /nfs/dbraw/zinc/89/63/24/1338896324.db2.gz RHZHVDKIRVIOGU-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCC1)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001017146757 1338896329 /nfs/dbraw/zinc/89/63/29/1338896329.db2.gz RHZHVDKIRVIOGU-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCC1)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001017146757 1338896334 /nfs/dbraw/zinc/89/63/34/1338896334.db2.gz RHZHVDKIRVIOGU-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C[NH+](C)CC3CCCCC3)C2)C1 ZINC001017209566 1338955827 /nfs/dbraw/zinc/95/58/27/1338955827.db2.gz QJAWYTHMIQINAN-UYAOXDASSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H](C[N@H+](C)CC3CCCCC3)C2)C1 ZINC001017209566 1338955829 /nfs/dbraw/zinc/95/58/29/1338955829.db2.gz QJAWYTHMIQINAN-UYAOXDASSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H](C[N@@H+](C)CC3CCCCC3)C2)C1 ZINC001017209566 1338955831 /nfs/dbraw/zinc/95/58/31/1338955831.db2.gz QJAWYTHMIQINAN-UYAOXDASSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001028335280 1340572622 /nfs/dbraw/zinc/57/26/22/1340572622.db2.gz REARZDSLCOFSKL-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001028335280 1340572624 /nfs/dbraw/zinc/57/26/24/1340572624.db2.gz REARZDSLCOFSKL-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCC1 ZINC001028335280 1340572625 /nfs/dbraw/zinc/57/26/25/1340572625.db2.gz REARZDSLCOFSKL-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001028335069 1340573239 /nfs/dbraw/zinc/57/32/39/1340573239.db2.gz NLCGUFUEWCKBAO-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001028335069 1340573241 /nfs/dbraw/zinc/57/32/41/1340573241.db2.gz NLCGUFUEWCKBAO-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC001028335069 1340573243 /nfs/dbraw/zinc/57/32/43/1340573243.db2.gz NLCGUFUEWCKBAO-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001028538028 1340693189 /nfs/dbraw/zinc/69/31/89/1340693189.db2.gz XXUFJYSFKQFHGI-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001028538028 1340693193 /nfs/dbraw/zinc/69/31/93/1340693193.db2.gz XXUFJYSFKQFHGI-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001028538028 1340693196 /nfs/dbraw/zinc/69/31/96/1340693196.db2.gz XXUFJYSFKQFHGI-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001028635813 1340737740 /nfs/dbraw/zinc/73/77/40/1340737740.db2.gz GUGOVUJLHSHIJX-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001028635813 1340737744 /nfs/dbraw/zinc/73/77/44/1340737744.db2.gz GUGOVUJLHSHIJX-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001028635813 1340737747 /nfs/dbraw/zinc/73/77/47/1340737747.db2.gz GUGOVUJLHSHIJX-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001028918639 1340884191 /nfs/dbraw/zinc/88/41/91/1340884191.db2.gz KFBYIIBOGAIVCJ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001028918639 1340884192 /nfs/dbraw/zinc/88/41/92/1340884192.db2.gz KFBYIIBOGAIVCJ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001028918639 1340884193 /nfs/dbraw/zinc/88/41/93/1340884193.db2.gz KFBYIIBOGAIVCJ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029013202 1340909497 /nfs/dbraw/zinc/90/94/97/1340909497.db2.gz VGSYJDXQUPQGEE-IRXDYDNUSA-N 2 1 349.519 3.219 20 0 EGADMP C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001029108407 1340931673 /nfs/dbraw/zinc/93/16/73/1340931673.db2.gz HLVKODTUSSRUDQ-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001029154795 1340944757 /nfs/dbraw/zinc/94/47/57/1340944757.db2.gz PRZKTMKOZNKLFK-XLIONFOSSA-N 2 1 349.563 3.266 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCCC1 ZINC001029242273 1340960339 /nfs/dbraw/zinc/96/03/39/1340960339.db2.gz XHGFMANZFRUZBF-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCCC1 ZINC001029242273 1340960340 /nfs/dbraw/zinc/96/03/40/1340960340.db2.gz XHGFMANZFRUZBF-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCCC1 ZINC001029242273 1340960341 /nfs/dbraw/zinc/96/03/41/1340960341.db2.gz XHGFMANZFRUZBF-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001029473932 1340998306 /nfs/dbraw/zinc/99/83/06/1340998306.db2.gz XYOKRZRDTFPUNR-RLLQIKCJSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1=CCCCC1 ZINC001029473932 1340998308 /nfs/dbraw/zinc/99/83/08/1340998308.db2.gz XYOKRZRDTFPUNR-RLLQIKCJSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1=CCCCC1 ZINC001029473932 1340998310 /nfs/dbraw/zinc/99/83/10/1340998310.db2.gz XYOKRZRDTFPUNR-RLLQIKCJSA-N 2 1 345.531 3.036 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001029599214 1341019187 /nfs/dbraw/zinc/01/91/87/1341019187.db2.gz WGCYSOHRJOMAKK-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001029599214 1341019188 /nfs/dbraw/zinc/01/91/88/1341019188.db2.gz WGCYSOHRJOMAKK-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001029599214 1341019189 /nfs/dbraw/zinc/01/91/89/1341019189.db2.gz WGCYSOHRJOMAKK-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029910632 1341113841 /nfs/dbraw/zinc/11/38/41/1341113841.db2.gz SYLRPQKXEFQHFC-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001029910632 1341113842 /nfs/dbraw/zinc/11/38/42/1341113842.db2.gz SYLRPQKXEFQHFC-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001029910632 1341113843 /nfs/dbraw/zinc/11/38/43/1341113843.db2.gz SYLRPQKXEFQHFC-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH+](C)CC2CCCCC2)CC1 ZINC001029995257 1341151249 /nfs/dbraw/zinc/15/12/49/1341151249.db2.gz DWSFLIGOOHNSHK-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC(C[N@H+](C)CC2CCCCC2)CC1 ZINC001029995257 1341151250 /nfs/dbraw/zinc/15/12/50/1341151250.db2.gz DWSFLIGOOHNSHK-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC(C[N@@H+](C)CC2CCCCC2)CC1 ZINC001029995257 1341151251 /nfs/dbraw/zinc/15/12/51/1341151251.db2.gz DWSFLIGOOHNSHK-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH+](C)CC2CC(C)(C)C2)CC1 ZINC001029995789 1341151317 /nfs/dbraw/zinc/15/13/17/1341151317.db2.gz YVTUTJYYGWENSX-QGZVFWFLSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC(C[N@H+](C)CC2CC(C)(C)C2)CC1 ZINC001029995789 1341151318 /nfs/dbraw/zinc/15/13/18/1341151318.db2.gz YVTUTJYYGWENSX-QGZVFWFLSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC(C[N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC001029995789 1341151319 /nfs/dbraw/zinc/15/13/19/1341151319.db2.gz YVTUTJYYGWENSX-QGZVFWFLSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC(C[N@@H+](C)CC3CCCC3)CC2)CC1 ZINC001030005305 1341154143 /nfs/dbraw/zinc/15/41/43/1341154143.db2.gz CUIASKDIYWCGDW-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H]([NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC001030020510 1341159775 /nfs/dbraw/zinc/15/97/75/1341159775.db2.gz CMJFDAGLWVYFEC-UFYCRDLUSA-N 2 1 343.515 3.203 20 0 EGADMP O=C(NC1C[NH+](CCCC2CCC2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001030314769 1341178246 /nfs/dbraw/zinc/17/82/46/1341178246.db2.gz IIVIABMXMYYYPI-GOSISDBHSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC1C[NH+](CCCC2CCC2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001030314769 1341178247 /nfs/dbraw/zinc/17/82/47/1341178247.db2.gz IIVIABMXMYYYPI-GOSISDBHSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030444770 1341188040 /nfs/dbraw/zinc/18/80/40/1341188040.db2.gz MTXAINKENHWSBR-VQTJNVASSA-N 2 1 343.515 3.201 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001030444770 1341188041 /nfs/dbraw/zinc/18/80/41/1341188041.db2.gz MTXAINKENHWSBR-VQTJNVASSA-N 2 1 343.515 3.201 20 0 EGADMP CC1CCC(C[NH+]2CC(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC001030444672 1341188086 /nfs/dbraw/zinc/18/80/86/1341188086.db2.gz LPYSSMUFPGIRJA-UHYCVJNDSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1C[NH+](CC2CCC(C(C)(C)C)CC2)C1 ZINC001030956092 1341255649 /nfs/dbraw/zinc/25/56/49/1341255649.db2.gz SACPFOHDGRLXFN-WWDZGPRUSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001031660278 1341384106 /nfs/dbraw/zinc/38/41/06/1341384106.db2.gz GRKZRRLPSRUDPL-VQTJNVASSA-N 2 1 343.515 3.059 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886281 1355485181 /nfs/dbraw/zinc/48/51/81/1355485181.db2.gz MXOIIHSIVJOIFT-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001072886281 1355485184 /nfs/dbraw/zinc/48/51/84/1355485184.db2.gz MXOIIHSIVJOIFT-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001072886281 1355485186 /nfs/dbraw/zinc/48/51/86/1355485186.db2.gz MXOIIHSIVJOIFT-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001032119586 1341458712 /nfs/dbraw/zinc/45/87/12/1341458712.db2.gz VQSMADZEAVRQNI-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC(C)(C)CC1)[NH+](C)C ZINC001032612077 1341558955 /nfs/dbraw/zinc/55/89/55/1341558955.db2.gz USLGYBFXDARWCG-GBESFXJTSA-N 2 1 349.563 3.074 20 0 EGADMP C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCC1)[NH+]1CCCCCC1 ZINC001032664441 1341575779 /nfs/dbraw/zinc/57/57/79/1341575779.db2.gz BTUNXJTXZWTVPO-IHPCNDPISA-N 2 1 347.547 3.116 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001032829828 1341629039 /nfs/dbraw/zinc/62/90/39/1341629039.db2.gz GGKJBMBGGFDWCN-BJLQDIEVSA-N 2 1 343.515 3.039 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001032829828 1341629040 /nfs/dbraw/zinc/62/90/40/1341629040.db2.gz GGKJBMBGGFDWCN-BJLQDIEVSA-N 2 1 343.515 3.039 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001032829828 1341629042 /nfs/dbraw/zinc/62/90/42/1341629042.db2.gz GGKJBMBGGFDWCN-BJLQDIEVSA-N 2 1 343.515 3.039 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001032829828 1341629045 /nfs/dbraw/zinc/62/90/45/1341629045.db2.gz GGKJBMBGGFDWCN-BJLQDIEVSA-N 2 1 343.515 3.039 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083315 1341718725 /nfs/dbraw/zinc/71/87/25/1341718725.db2.gz ZPVWONIXQDXLPU-QUCCMNQESA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033083315 1341718727 /nfs/dbraw/zinc/71/87/27/1341718727.db2.gz ZPVWONIXQDXLPU-QUCCMNQESA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033083315 1341718730 /nfs/dbraw/zinc/71/87/30/1341718730.db2.gz ZPVWONIXQDXLPU-QUCCMNQESA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033123911 1341732552 /nfs/dbraw/zinc/73/25/52/1341732552.db2.gz UHWBMIOGTYIASB-HOCLYGCPSA-N 2 1 337.533 3.002 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033123911 1341732553 /nfs/dbraw/zinc/73/25/53/1341732553.db2.gz UHWBMIOGTYIASB-HOCLYGCPSA-N 2 1 337.533 3.002 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001033144144 1341738115 /nfs/dbraw/zinc/73/81/15/1341738115.db2.gz SDJSYXBIXRWFAV-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCCC3CCC3)C2)C1 ZINC001033144144 1341738116 /nfs/dbraw/zinc/73/81/16/1341738116.db2.gz SDJSYXBIXRWFAV-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001033144144 1341738117 /nfs/dbraw/zinc/73/81/17/1341738117.db2.gz SDJSYXBIXRWFAV-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033144769 1341738639 /nfs/dbraw/zinc/73/86/39/1341738639.db2.gz BQHRXBYOJVQLGX-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033144769 1341738641 /nfs/dbraw/zinc/73/86/41/1341738641.db2.gz BQHRXBYOJVQLGX-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033144769 1341738643 /nfs/dbraw/zinc/73/86/43/1341738643.db2.gz BQHRXBYOJVQLGX-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033147125 1341739827 /nfs/dbraw/zinc/73/98/27/1341739827.db2.gz SVANWFSEPWBZHC-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033147125 1341739829 /nfs/dbraw/zinc/73/98/29/1341739829.db2.gz SVANWFSEPWBZHC-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033147125 1341739831 /nfs/dbraw/zinc/73/98/31/1341739831.db2.gz SVANWFSEPWBZHC-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033230667 1341755834 /nfs/dbraw/zinc/75/58/34/1341755834.db2.gz RQESCNXOFFBNGY-VQIMIIECSA-N 2 1 348.450 3.242 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC(CC)CC)C2)C1 ZINC001033353004 1341793630 /nfs/dbraw/zinc/79/36/30/1341793630.db2.gz CHTSOANVYGLIST-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC(CC)CC)C2)C1 ZINC001033353004 1341793631 /nfs/dbraw/zinc/79/36/31/1341793631.db2.gz CHTSOANVYGLIST-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC(CC)CC)C2)C1 ZINC001033353004 1341793634 /nfs/dbraw/zinc/79/36/34/1341793634.db2.gz CHTSOANVYGLIST-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001033466272 1341837151 /nfs/dbraw/zinc/83/71/51/1341837151.db2.gz CVHNESUQDLBTEO-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001033467703 1341837755 /nfs/dbraw/zinc/83/77/55/1341837755.db2.gz QNZGQRJKMFYLAZ-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033665739 1341935289 /nfs/dbraw/zinc/93/52/89/1341935289.db2.gz QEXLZELTPNJKCT-HZPDHXFCSA-N 2 1 349.906 3.030 20 0 EGADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033665739 1341935291 /nfs/dbraw/zinc/93/52/91/1341935291.db2.gz QEXLZELTPNJKCT-HZPDHXFCSA-N 2 1 349.906 3.030 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033684459 1341949765 /nfs/dbraw/zinc/94/97/65/1341949765.db2.gz FSQOOKFQQRDSEY-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033684459 1341949766 /nfs/dbraw/zinc/94/97/66/1341949766.db2.gz FSQOOKFQQRDSEY-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033684459 1341949768 /nfs/dbraw/zinc/94/97/68/1341949768.db2.gz FSQOOKFQQRDSEY-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001033837646 1342035616 /nfs/dbraw/zinc/03/56/16/1342035616.db2.gz TXUVCWHJRXZPMB-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001033837646 1342035617 /nfs/dbraw/zinc/03/56/17/1342035617.db2.gz TXUVCWHJRXZPMB-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001033837646 1342035619 /nfs/dbraw/zinc/03/56/19/1342035619.db2.gz TXUVCWHJRXZPMB-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033855892 1342046098 /nfs/dbraw/zinc/04/60/98/1342046098.db2.gz OBWOROQCPSWADQ-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033855892 1342046101 /nfs/dbraw/zinc/04/61/01/1342046101.db2.gz OBWOROQCPSWADQ-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC)[C@@H]2CC[NH+](CCC(C)C)C2)C1 ZINC001033936941 1342099693 /nfs/dbraw/zinc/09/96/93/1342099693.db2.gz ZNBSHTHZZIVCAZ-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(CC)[C@@H]2CC[N@H+](CCC(C)C)C2)C1 ZINC001033936941 1342099696 /nfs/dbraw/zinc/09/96/96/1342099696.db2.gz ZNBSHTHZZIVCAZ-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(CC)[C@@H]2CC[N@@H+](CCC(C)C)C2)C1 ZINC001033936941 1342099701 /nfs/dbraw/zinc/09/97/01/1342099701.db2.gz ZNBSHTHZZIVCAZ-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033941209 1342102765 /nfs/dbraw/zinc/10/27/65/1342102765.db2.gz NIRHDTCSRCEUEL-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)CC1 ZINC001075459149 1356392539 /nfs/dbraw/zinc/39/25/39/1356392539.db2.gz ZUZJZYNLWAZHRP-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC001075459149 1356392541 /nfs/dbraw/zinc/39/25/41/1356392541.db2.gz ZUZJZYNLWAZHRP-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)CC1 ZINC001075459149 1356392546 /nfs/dbraw/zinc/39/25/46/1356392546.db2.gz ZUZJZYNLWAZHRP-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCC[C@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC001075459861 1356392642 /nfs/dbraw/zinc/39/26/42/1356392642.db2.gz CVUWRHZBEUSHIO-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210596 1342320135 /nfs/dbraw/zinc/32/01/35/1342320135.db2.gz IFJQQJLOGGADHT-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210596 1342320137 /nfs/dbraw/zinc/32/01/37/1342320137.db2.gz IFJQQJLOGGADHT-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210596 1342320140 /nfs/dbraw/zinc/32/01/40/1342320140.db2.gz IFJQQJLOGGADHT-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3CCCCC3)C2)CC[N@H+]1C ZINC001034217845 1342324246 /nfs/dbraw/zinc/32/42/46/1342324246.db2.gz WFLIYNMMCNUXIA-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CC3CCCCC3)C2)CC[NH+]1C ZINC001034217845 1342324249 /nfs/dbraw/zinc/32/42/49/1342324249.db2.gz WFLIYNMMCNUXIA-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CC3CCCCC3)C2)CC[NH+]1C ZINC001034217845 1342324250 /nfs/dbraw/zinc/32/42/50/1342324250.db2.gz WFLIYNMMCNUXIA-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034239210 1342340346 /nfs/dbraw/zinc/34/03/46/1342340346.db2.gz JCEVWTOLKJQOEW-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001034239210 1342340348 /nfs/dbraw/zinc/34/03/48/1342340348.db2.gz JCEVWTOLKJQOEW-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001034239210 1342340354 /nfs/dbraw/zinc/34/03/54/1342340354.db2.gz JCEVWTOLKJQOEW-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034240134 1342341135 /nfs/dbraw/zinc/34/11/35/1342341135.db2.gz POMDEUUMYPRUKH-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001034240134 1342341139 /nfs/dbraw/zinc/34/11/39/1342341139.db2.gz POMDEUUMYPRUKH-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001034240134 1342341141 /nfs/dbraw/zinc/34/11/41/1342341141.db2.gz POMDEUUMYPRUKH-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034289487 1342375741 /nfs/dbraw/zinc/37/57/41/1342375741.db2.gz UNVJWRYZPLGUNI-RTBURBONSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289487 1342375743 /nfs/dbraw/zinc/37/57/43/1342375743.db2.gz UNVJWRYZPLGUNI-RTBURBONSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289487 1342375746 /nfs/dbraw/zinc/37/57/46/1342375746.db2.gz UNVJWRYZPLGUNI-RTBURBONSA-N 2 1 335.536 3.044 20 0 EGADMP O=C(N[C@H]1CCCC[N@@H+](CC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001034290086 1342376398 /nfs/dbraw/zinc/37/63/98/1342376398.db2.gz FUVLODBMFHXBLQ-IBGZPJMESA-N 2 1 347.547 3.166 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340258 1342413846 /nfs/dbraw/zinc/41/38/46/1342413846.db2.gz MUCIBPKWCADDPL-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034400203 1342466441 /nfs/dbraw/zinc/46/64/41/1342466441.db2.gz WYAQEXRYCGVTET-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](CC2CCCCCC2)C1 ZINC001034400203 1342466445 /nfs/dbraw/zinc/46/64/45/1342466445.db2.gz WYAQEXRYCGVTET-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](CC2CCCCCC2)C1 ZINC001034400203 1342466449 /nfs/dbraw/zinc/46/64/49/1342466449.db2.gz WYAQEXRYCGVTET-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034400195 1342466661 /nfs/dbraw/zinc/46/66/61/1342466661.db2.gz WWTFIGQMPXYSGL-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)(C)CC[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034400195 1342466664 /nfs/dbraw/zinc/46/66/64/1342466664.db2.gz WWTFIGQMPXYSGL-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)(C)CC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034400195 1342466667 /nfs/dbraw/zinc/46/66/67/1342466667.db2.gz WWTFIGQMPXYSGL-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034425840 1342488216 /nfs/dbraw/zinc/48/82/16/1342488216.db2.gz IECVZPLDYAQMSV-KRWDZBQOSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034425840 1342488218 /nfs/dbraw/zinc/48/82/18/1342488218.db2.gz IECVZPLDYAQMSV-KRWDZBQOSA-N 2 1 334.508 3.023 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](C/C=C/Cl)C2)cc1 ZINC001034444727 1342504927 /nfs/dbraw/zinc/50/49/27/1342504927.db2.gz KNEKAOQDENXIIU-HNDWGLKSSA-N 2 1 349.906 3.085 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034537386 1342593920 /nfs/dbraw/zinc/59/39/20/1342593920.db2.gz BCAPJPUYZXUKAS-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001034537386 1342593922 /nfs/dbraw/zinc/59/39/22/1342593922.db2.gz BCAPJPUYZXUKAS-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001034537386 1342593924 /nfs/dbraw/zinc/59/39/24/1342593924.db2.gz BCAPJPUYZXUKAS-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034539074 1342598144 /nfs/dbraw/zinc/59/81/44/1342598144.db2.gz VEAQZMVNVLVIHV-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC001034539074 1342598146 /nfs/dbraw/zinc/59/81/46/1342598146.db2.gz VEAQZMVNVLVIHV-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC(C)(C)C)C1 ZINC001034539074 1342598149 /nfs/dbraw/zinc/59/81/49/1342598149.db2.gz VEAQZMVNVLVIHV-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034542057 1342601408 /nfs/dbraw/zinc/60/14/08/1342601408.db2.gz UFMSJSZNNGCJSJ-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034543321 1342603368 /nfs/dbraw/zinc/60/33/68/1342603368.db2.gz ZXINEWCOFZPXNF-HKUYNNGSSA-N 2 1 345.531 3.379 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCCC2)CC1 ZINC001034606570 1342644800 /nfs/dbraw/zinc/64/48/00/1342644800.db2.gz AWMSRIHITUJADT-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034642610 1342667732 /nfs/dbraw/zinc/66/77/32/1342667732.db2.gz IKEYHMLXYNNTCB-GUDVDZBRSA-N 2 1 335.536 3.066 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001034954468 1342851804 /nfs/dbraw/zinc/85/18/04/1342851804.db2.gz RZZMLOQICSGMKS-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035196822 1343009590 /nfs/dbraw/zinc/00/95/90/1343009590.db2.gz DPNAGRLRIHDUAS-MOPGFXCFSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC001035196822 1343009594 /nfs/dbraw/zinc/00/95/94/1343009594.db2.gz DPNAGRLRIHDUAS-MOPGFXCFSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035196822 1343009597 /nfs/dbraw/zinc/00/95/97/1343009597.db2.gz DPNAGRLRIHDUAS-MOPGFXCFSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035259700 1343086683 /nfs/dbraw/zinc/08/66/83/1343086683.db2.gz DNBSFZCYYBQWPM-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035259700 1343086684 /nfs/dbraw/zinc/08/66/84/1343086684.db2.gz DNBSFZCYYBQWPM-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035260536 1343088058 /nfs/dbraw/zinc/08/80/58/1343088058.db2.gz YTKFTHHNKPBMBV-LJQANCHMSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC001035260536 1343088062 /nfs/dbraw/zinc/08/80/62/1343088062.db2.gz YTKFTHHNKPBMBV-LJQANCHMSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001036180449 1343349618 /nfs/dbraw/zinc/34/96/18/1343349618.db2.gz AYQNURGTIOTDCK-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C[NH2+]CC1CCCC1 ZINC001036577333 1343562439 /nfs/dbraw/zinc/56/24/39/1343562439.db2.gz GHTOHZQFJUNJTL-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CC[NH+](CC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCC(C)(C)C)C2)CC1 ZINC001036854704 1343788963 /nfs/dbraw/zinc/78/89/63/1343788963.db2.gz POHRRYVZSRFEHU-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001037135415 1343985043 /nfs/dbraw/zinc/98/50/43/1343985043.db2.gz AKNSOVSHGNRBCW-OALUTQOASA-N 2 1 346.519 3.036 20 0 EGADMP CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001037861351 1344146850 /nfs/dbraw/zinc/14/68/50/1344146850.db2.gz QXZIMVCYFTXOQI-MJGOQNOKSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1CC ZINC001037871516 1344153531 /nfs/dbraw/zinc/15/35/31/1344153531.db2.gz CDZULGIDBNUDAF-AEFFLSMTSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001037923913 1344183749 /nfs/dbraw/zinc/18/37/49/1344183749.db2.gz GDCCAAKDNIEJAZ-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1[NH2+]CC1CC1 ZINC001037929349 1344187776 /nfs/dbraw/zinc/18/77/76/1344187776.db2.gz HOJYVSWEDPIHSR-ROUUACIJSA-N 2 1 346.519 3.023 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CCCC1CCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038353693 1344393990 /nfs/dbraw/zinc/39/39/90/1344393990.db2.gz OMKCMIJOOXEALS-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CCCC1CCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038353693 1344393993 /nfs/dbraw/zinc/39/39/93/1344393993.db2.gz OMKCMIJOOXEALS-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CCCC1CCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038353693 1344393998 /nfs/dbraw/zinc/39/39/98/1344393998.db2.gz OMKCMIJOOXEALS-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038353482 1344394788 /nfs/dbraw/zinc/39/47/88/1344394788.db2.gz NKSSVAVSEWCVDM-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038353482 1344394789 /nfs/dbraw/zinc/39/47/89/1344394789.db2.gz NKSSVAVSEWCVDM-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038353482 1344394791 /nfs/dbraw/zinc/39/47/91/1344394791.db2.gz NKSSVAVSEWCVDM-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1c(C(=O)NC[C@H]2CC[N@@H+]2[C@@H](C)c2ccccc2)ccc2c[nH+]cn21 ZINC001038431659 1344425908 /nfs/dbraw/zinc/42/59/08/1344425908.db2.gz KCTYXLNSNXDLSM-HNAYVOBHSA-N 2 1 348.450 3.208 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001038444502 1344430601 /nfs/dbraw/zinc/43/06/01/1344430601.db2.gz MVSKHYYAQBVRAP-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001038444502 1344430604 /nfs/dbraw/zinc/43/06/04/1344430604.db2.gz MVSKHYYAQBVRAP-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001038444502 1344430607 /nfs/dbraw/zinc/43/06/07/1344430607.db2.gz MVSKHYYAQBVRAP-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCC2=CCCCC2)C1 ZINC001038625875 1344510093 /nfs/dbraw/zinc/51/00/93/1344510093.db2.gz SMJHIDOTHOCAKS-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCC2=CCCCC2)C1 ZINC001038625875 1344510095 /nfs/dbraw/zinc/51/00/95/1344510095.db2.gz SMJHIDOTHOCAKS-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCC2=CCCCC2)C1 ZINC001038625875 1344510097 /nfs/dbraw/zinc/51/00/97/1344510097.db2.gz SMJHIDOTHOCAKS-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001038650154 1344522345 /nfs/dbraw/zinc/52/23/45/1344522345.db2.gz CEVJZIPTEPERIQ-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCC1 ZINC001038650154 1344522349 /nfs/dbraw/zinc/52/23/49/1344522349.db2.gz CEVJZIPTEPERIQ-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CC2=CCCCC2)cc1 ZINC001038822714 1344598407 /nfs/dbraw/zinc/59/84/07/1344598407.db2.gz LAAHYKWLEUCEJU-FQEVSTJZSA-N 2 1 341.499 3.053 20 0 EGADMP CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001039152948 1344837275 /nfs/dbraw/zinc/83/72/75/1344837275.db2.gz MCSJWKOAPQULRG-IHPCNDPISA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039152948 1344837277 /nfs/dbraw/zinc/83/72/77/1344837277.db2.gz MCSJWKOAPQULRG-IHPCNDPISA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039152948 1344837280 /nfs/dbraw/zinc/83/72/80/1344837280.db2.gz MCSJWKOAPQULRG-IHPCNDPISA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001039249496 1344979935 /nfs/dbraw/zinc/97/99/35/1344979935.db2.gz AZOVWMVPZFTIEC-WOJBJXKFSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001039286270 1344997261 /nfs/dbraw/zinc/99/72/61/1344997261.db2.gz LPQPLFSIDNNFOH-HRVKUGKESA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001039289765 1344998826 /nfs/dbraw/zinc/99/88/26/1344998826.db2.gz YTIDZUAVSHZGFD-HRVKUGKESA-N 2 1 335.536 3.159 20 0 EGADMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001039301128 1345003789 /nfs/dbraw/zinc/00/37/89/1345003789.db2.gz AWWUPUSUYHKBTF-AYHJJNSGSA-N 2 1 346.519 3.308 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001039431664 1345065026 /nfs/dbraw/zinc/06/50/26/1345065026.db2.gz MNOKCONCNHUVSH-CEXWTWQISA-N 2 1 337.552 3.074 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC([N@@H+](CC2CC2)CC2CCC2)CC1)[NH+](C)C ZINC001039488663 1345108454 /nfs/dbraw/zinc/10/84/54/1345108454.db2.gz XVLIZSCBHHDISE-HXUWFJFHSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCC(C)CC1)[NH+](C)C ZINC001039681387 1345157730 /nfs/dbraw/zinc/15/77/30/1345157730.db2.gz AHHZESXDKUJXPK-ZCFHBRKKSA-N 2 1 349.563 3.218 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001039685890 1345158711 /nfs/dbraw/zinc/15/87/11/1345158711.db2.gz RSEALRLISKZGLA-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001039685890 1345158715 /nfs/dbraw/zinc/15/87/15/1345158715.db2.gz RSEALRLISKZGLA-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001039685890 1345158720 /nfs/dbraw/zinc/15/87/20/1345158720.db2.gz RSEALRLISKZGLA-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CCCC1)C2)[NH+](C)C ZINC001040260376 1345399444 /nfs/dbraw/zinc/39/94/44/1345399444.db2.gz CRZIWRXQMIVNKP-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040260221 1345399992 /nfs/dbraw/zinc/39/99/92/1345399992.db2.gz CHVQZLYTPKTQEQ-UYAOXDASSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001040270290 1345404669 /nfs/dbraw/zinc/40/46/69/1345404669.db2.gz GQTFYZQBNYFNPK-NRFANRHFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001040270290 1345404671 /nfs/dbraw/zinc/40/46/71/1345404671.db2.gz GQTFYZQBNYFNPK-NRFANRHFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001040270290 1345404673 /nfs/dbraw/zinc/40/46/73/1345404673.db2.gz GQTFYZQBNYFNPK-NRFANRHFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CC(C)C)C2 ZINC001040277024 1345408311 /nfs/dbraw/zinc/40/83/11/1345408311.db2.gz TYPYMWCICGUZAM-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC(C)C)C2 ZINC001040277024 1345408313 /nfs/dbraw/zinc/40/83/13/1345408313.db2.gz TYPYMWCICGUZAM-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC(C)C)C2 ZINC001040277024 1345408317 /nfs/dbraw/zinc/40/83/17/1345408317.db2.gz TYPYMWCICGUZAM-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCC[C@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040355290 1345450815 /nfs/dbraw/zinc/45/08/15/1345450815.db2.gz ALSGHBYIFSRUEP-FQEVSTJZSA-N 2 1 347.503 3.069 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040393420 1345473669 /nfs/dbraw/zinc/47/36/69/1345473669.db2.gz BOUXNXLUICNRTA-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001040393420 1345473671 /nfs/dbraw/zinc/47/36/71/1345473671.db2.gz BOUXNXLUICNRTA-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001040393420 1345473676 /nfs/dbraw/zinc/47/36/76/1345473676.db2.gz BOUXNXLUICNRTA-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041278336 1345692167 /nfs/dbraw/zinc/69/21/67/1345692167.db2.gz URUCTWMSEAEMPZ-WIYYLYMNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001041278336 1345692170 /nfs/dbraw/zinc/69/21/70/1345692170.db2.gz URUCTWMSEAEMPZ-WIYYLYMNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001041278336 1345692175 /nfs/dbraw/zinc/69/21/75/1345692175.db2.gz URUCTWMSEAEMPZ-WIYYLYMNSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC(CC)CC)C2)C1 ZINC001041342729 1345706224 /nfs/dbraw/zinc/70/62/24/1345706224.db2.gz GBYSTLBQTHCNBA-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC(CC)CC)C2)C1 ZINC001041342729 1345706227 /nfs/dbraw/zinc/70/62/27/1345706227.db2.gz GBYSTLBQTHCNBA-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC(CC)CC)C2)C1 ZINC001041342729 1345706228 /nfs/dbraw/zinc/70/62/28/1345706228.db2.gz GBYSTLBQTHCNBA-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CCCCC3)C2)C1)[NH+](C)C ZINC001041379743 1345712143 /nfs/dbraw/zinc/71/21/43/1345712143.db2.gz SVGWAYNJELXWPQ-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041537583 1345755764 /nfs/dbraw/zinc/75/57/64/1345755764.db2.gz ZGDUSIVXIUSZLN-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041726513 1345833628 /nfs/dbraw/zinc/83/36/28/1345833628.db2.gz ZNWXXCTVWLXZJQ-PZJWPPBQSA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041845951 1345871517 /nfs/dbraw/zinc/87/15/17/1345871517.db2.gz STQAROPCYQQKEF-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001041845951 1345871518 /nfs/dbraw/zinc/87/15/18/1345871518.db2.gz STQAROPCYQQKEF-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001041845951 1345871519 /nfs/dbraw/zinc/87/15/19/1345871519.db2.gz STQAROPCYQQKEF-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C2C[NH+](CC3CCC(C)(C)CC3)C2)CC[N@H+]1C ZINC001042748716 1346111545 /nfs/dbraw/zinc/11/15/45/1346111545.db2.gz TWJHKBAAJQTZTC-RBUKOAKNSA-N 2 1 349.563 3.076 20 0 EGADMP CN(C(=O)c1ccc2c[nH+]cn2c1)C1C[NH+](CCCC2CCCC2)C1 ZINC001043356094 1346168799 /nfs/dbraw/zinc/16/87/99/1346168799.db2.gz WCGVVKQGKJSLCV-UHFFFAOYSA-N 2 1 340.471 3.061 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CCCCCC2)CC[N@H+]1C ZINC001045171265 1346514325 /nfs/dbraw/zinc/51/43/25/1346514325.db2.gz URLBSGOJBCDMKK-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001045475520 1346602872 /nfs/dbraw/zinc/60/28/72/1346602872.db2.gz JZSFZCIPCRVEQW-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001045529748 1346618481 /nfs/dbraw/zinc/61/84/81/1346618481.db2.gz XWKDBHCXVHERDO-HKUYNNGSSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2(C)CC[NH+](CC3CC(C)C3)CC2)C1 ZINC001045531377 1346619042 /nfs/dbraw/zinc/61/90/42/1346619042.db2.gz GLMWWJRJORUGRX-ACBHZAAOSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1(C)CC[NH+](CCC2CCCCC2)CC1 ZINC001045557860 1346628874 /nfs/dbraw/zinc/62/88/74/1346628874.db2.gz XHTDSEDQSSOFHA-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC[NH+](CCCC2CCC2)CC1 ZINC001045629469 1346652977 /nfs/dbraw/zinc/65/29/77/1346652977.db2.gz MDNATSZBKCZIFE-NRFANRHFSA-N 2 1 347.547 3.023 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001045797356 1346700985 /nfs/dbraw/zinc/70/09/85/1346700985.db2.gz CQPYJYSPXMWMKN-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001045797356 1346700989 /nfs/dbraw/zinc/70/09/89/1346700989.db2.gz CQPYJYSPXMWMKN-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001045797356 1346700991 /nfs/dbraw/zinc/70/09/91/1346700991.db2.gz CQPYJYSPXMWMKN-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001045858335 1346723097 /nfs/dbraw/zinc/72/30/97/1346723097.db2.gz IVEYUWBMRSPZTM-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001045858335 1346723099 /nfs/dbraw/zinc/72/30/99/1346723099.db2.gz IVEYUWBMRSPZTM-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001045858335 1346723101 /nfs/dbraw/zinc/72/31/01/1346723101.db2.gz IVEYUWBMRSPZTM-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001045921609 1346758775 /nfs/dbraw/zinc/75/87/75/1346758775.db2.gz PJGTXOBQBKDKQJ-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001045921609 1346758777 /nfs/dbraw/zinc/75/87/77/1346758777.db2.gz PJGTXOBQBKDKQJ-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001045921609 1346758779 /nfs/dbraw/zinc/75/87/79/1346758779.db2.gz PJGTXOBQBKDKQJ-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045939003 1346774896 /nfs/dbraw/zinc/77/48/96/1346774896.db2.gz RLZVWEJYIDDXMI-ZVDOUQERSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001045939003 1346774899 /nfs/dbraw/zinc/77/48/99/1346774899.db2.gz RLZVWEJYIDDXMI-ZVDOUQERSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001045939003 1346774900 /nfs/dbraw/zinc/77/49/00/1346774900.db2.gz RLZVWEJYIDDXMI-ZVDOUQERSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132152383 1375171348 /nfs/dbraw/zinc/17/13/48/1375171348.db2.gz BBCPGUHFFRBFRY-WBVHZDCISA-N 2 1 325.541 3.122 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132152383 1375171351 /nfs/dbraw/zinc/17/13/51/1375171351.db2.gz BBCPGUHFFRBFRY-WBVHZDCISA-N 2 1 325.541 3.122 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132152383 1375171356 /nfs/dbraw/zinc/17/13/56/1375171356.db2.gz BBCPGUHFFRBFRY-WBVHZDCISA-N 2 1 325.541 3.122 20 0 EGADMP CCCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046316937 1346931914 /nfs/dbraw/zinc/93/19/14/1346931914.db2.gz CPWKBENOTCENGL-PXNSSMCTSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046316937 1346931916 /nfs/dbraw/zinc/93/19/16/1346931916.db2.gz CPWKBENOTCENGL-PXNSSMCTSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046316937 1346931918 /nfs/dbraw/zinc/93/19/18/1346931918.db2.gz CPWKBENOTCENGL-PXNSSMCTSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCC3CCCC3)C2)C1 ZINC001046368445 1346951886 /nfs/dbraw/zinc/95/18/86/1346951886.db2.gz CHGLKZGSSSEBIB-CTNGQTDRSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCC3CCCC3)C2)C1 ZINC001046368445 1346951888 /nfs/dbraw/zinc/95/18/88/1346951888.db2.gz CHGLKZGSSSEBIB-CTNGQTDRSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001046368445 1346951890 /nfs/dbraw/zinc/95/18/90/1346951890.db2.gz CHGLKZGSSSEBIB-CTNGQTDRSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@]2(C)CC[NH+](CC3=CCCCC3)C2)C1 ZINC001046562844 1347018697 /nfs/dbraw/zinc/01/86/97/1347018697.db2.gz SKZNKYWUGRKJMW-PZJWPPBQSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@]2(C)CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001046562844 1347018703 /nfs/dbraw/zinc/01/87/03/1347018703.db2.gz SKZNKYWUGRKJMW-PZJWPPBQSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@]2(C)CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001046562844 1347018704 /nfs/dbraw/zinc/01/87/04/1347018704.db2.gz SKZNKYWUGRKJMW-PZJWPPBQSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001046738990 1347077542 /nfs/dbraw/zinc/07/75/42/1347077542.db2.gz HBMRJOXPVQGCCK-OAQYLSRUSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047242543 1347268773 /nfs/dbraw/zinc/26/87/73/1347268773.db2.gz UVRQYHHJIVOHMK-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001047266343 1347287317 /nfs/dbraw/zinc/28/73/17/1347287317.db2.gz WMLXTAXNOAWXSW-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)C2 ZINC001048538216 1347583725 /nfs/dbraw/zinc/58/37/25/1347583725.db2.gz MONXXPZNJKYQNS-UHZRXMQZSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)C2 ZINC001048538216 1347583727 /nfs/dbraw/zinc/58/37/27/1347583727.db2.gz MONXXPZNJKYQNS-UHZRXMQZSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)C2 ZINC001048538216 1347583728 /nfs/dbraw/zinc/58/37/28/1347583728.db2.gz MONXXPZNJKYQNS-UHZRXMQZSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001048539813 1347584054 /nfs/dbraw/zinc/58/40/54/1347584054.db2.gz SLYJYCGLLAHQEL-IYWMVGAKSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001048539813 1347584056 /nfs/dbraw/zinc/58/40/56/1347584056.db2.gz SLYJYCGLLAHQEL-IYWMVGAKSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001048539813 1347584058 /nfs/dbraw/zinc/58/40/58/1347584058.db2.gz SLYJYCGLLAHQEL-IYWMVGAKSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001048609447 1347616804 /nfs/dbraw/zinc/61/68/04/1347616804.db2.gz ALMPCAPZOHIOCD-BJLQDIEVSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCC1)[NH+]1CCCCC1 ZINC001049476186 1347868186 /nfs/dbraw/zinc/86/81/86/1347868186.db2.gz CSAHPJBURPPMBK-OALUTQOASA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC001049504218 1347881771 /nfs/dbraw/zinc/88/17/71/1347881771.db2.gz FABHQGXKUGPITB-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCC1 ZINC001049504218 1347881774 /nfs/dbraw/zinc/88/17/74/1347881774.db2.gz FABHQGXKUGPITB-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCC1 ZINC001049504218 1347881775 /nfs/dbraw/zinc/88/17/75/1347881775.db2.gz FABHQGXKUGPITB-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC001049535668 1347896973 /nfs/dbraw/zinc/89/69/73/1347896973.db2.gz IHCZXQXHBRHZOU-QRVBRYPASA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049535668 1347896976 /nfs/dbraw/zinc/89/69/76/1347896976.db2.gz IHCZXQXHBRHZOU-QRVBRYPASA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C ZINC001049535668 1347896977 /nfs/dbraw/zinc/89/69/77/1347896977.db2.gz IHCZXQXHBRHZOU-QRVBRYPASA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CCCCC1)[NH+](C)C ZINC001049548873 1347902623 /nfs/dbraw/zinc/90/26/23/1347902623.db2.gz GGXPOPZCZZXZJC-AABGKKOBSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCC1CCC1 ZINC001049551844 1347904746 /nfs/dbraw/zinc/90/47/46/1347904746.db2.gz JGFQTXNZTMZMFH-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC1CCC1 ZINC001049551844 1347904747 /nfs/dbraw/zinc/90/47/47/1347904747.db2.gz JGFQTXNZTMZMFH-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC1CCC1 ZINC001049551844 1347904748 /nfs/dbraw/zinc/90/47/48/1347904748.db2.gz JGFQTXNZTMZMFH-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677106 1347968207 /nfs/dbraw/zinc/96/82/07/1347968207.db2.gz RRHCAYXGFOSTGI-MSOLQXFVSA-N 2 1 347.503 3.066 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049677106 1347968210 /nfs/dbraw/zinc/96/82/10/1347968210.db2.gz RRHCAYXGFOSTGI-MSOLQXFVSA-N 2 1 347.503 3.066 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1=CCCCC1 ZINC001049725176 1347991486 /nfs/dbraw/zinc/99/14/86/1347991486.db2.gz VRAMZOGZPXIVNN-YZGWKJHDSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1=CCCCC1 ZINC001049725176 1347991487 /nfs/dbraw/zinc/99/14/87/1347991487.db2.gz VRAMZOGZPXIVNN-YZGWKJHDSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1=CCCCC1 ZINC001049725176 1347991489 /nfs/dbraw/zinc/99/14/89/1347991489.db2.gz VRAMZOGZPXIVNN-YZGWKJHDSA-N 2 1 345.531 3.036 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049752049 1348000850 /nfs/dbraw/zinc/00/08/50/1348000850.db2.gz FMNSYGCYYYYWFE-RCCFBDPRSA-N 2 1 346.519 3.118 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049752049 1348000854 /nfs/dbraw/zinc/00/08/54/1348000854.db2.gz FMNSYGCYYYYWFE-RCCFBDPRSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCC1 ZINC001049760690 1348005829 /nfs/dbraw/zinc/00/58/29/1348005829.db2.gz BAQHJICMLXIOAG-XUVXKRRUSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCC1 ZINC001049760690 1348005831 /nfs/dbraw/zinc/00/58/31/1348005831.db2.gz BAQHJICMLXIOAG-XUVXKRRUSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCC1 ZINC001049760690 1348005833 /nfs/dbraw/zinc/00/58/33/1348005833.db2.gz BAQHJICMLXIOAG-XUVXKRRUSA-N 2 1 347.547 3.115 20 0 EGADMP CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763135 1348007984 /nfs/dbraw/zinc/00/79/84/1348007984.db2.gz UMULPCOOXSVTIX-MSOLQXFVSA-N 2 1 346.519 3.262 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763135 1348007986 /nfs/dbraw/zinc/00/79/86/1348007986.db2.gz UMULPCOOXSVTIX-MSOLQXFVSA-N 2 1 346.519 3.262 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC ZINC001049835949 1348048892 /nfs/dbraw/zinc/04/88/92/1348048892.db2.gz MSIBQFPEDQAWNJ-GBESFXJTSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC ZINC001049835949 1348048893 /nfs/dbraw/zinc/04/88/93/1348048893.db2.gz MSIBQFPEDQAWNJ-GBESFXJTSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC ZINC001049835949 1348048896 /nfs/dbraw/zinc/04/88/96/1348048896.db2.gz MSIBQFPEDQAWNJ-GBESFXJTSA-N 2 1 335.536 3.116 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCc2ccc([C@@H](C)[NH2+]C(C)C)cc2)CC[N@H+]1C ZINC001050263042 1348222465 /nfs/dbraw/zinc/22/24/65/1348222465.db2.gz HJTSLDOZTGBYFW-AYOQOUSVSA-N 2 1 331.504 3.092 20 0 EGADMP CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001050270932 1348224065 /nfs/dbraw/zinc/22/40/65/1348224065.db2.gz BKAOPGDJKUIVJI-LPHOPBHVSA-N 2 1 331.504 3.236 20 0 EGADMP CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001050357101 1348236567 /nfs/dbraw/zinc/23/65/67/1348236567.db2.gz KWYNMAHSTLEQMO-LNLFQRSKSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001050368416 1348240598 /nfs/dbraw/zinc/24/05/98/1348240598.db2.gz VWFFUWLYILOGAH-IHPCNDPISA-N 2 1 349.563 3.316 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052499292 1348560263 /nfs/dbraw/zinc/56/02/63/1348560263.db2.gz SLCXZFDMEGDSOW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC001052499292 1348560264 /nfs/dbraw/zinc/56/02/64/1348560264.db2.gz SLCXZFDMEGDSOW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001052499292 1348560266 /nfs/dbraw/zinc/56/02/66/1348560266.db2.gz SLCXZFDMEGDSOW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001052589497 1348587745 /nfs/dbraw/zinc/58/77/45/1348587745.db2.gz JLNOYNMZXJLTIS-IBGZPJMESA-N 2 1 345.531 3.175 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](CCC(C)C)CC2)C1 ZINC001052651922 1348614592 /nfs/dbraw/zinc/61/45/92/1348614592.db2.gz PBRMXIUECAYEGX-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@H+](CCC(C)C)CC2)C1 ZINC001052651922 1348614596 /nfs/dbraw/zinc/61/45/96/1348614596.db2.gz PBRMXIUECAYEGX-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCC(C)C)CC2)C1 ZINC001052651922 1348614598 /nfs/dbraw/zinc/61/45/98/1348614598.db2.gz PBRMXIUECAYEGX-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052708765 1348644129 /nfs/dbraw/zinc/64/41/29/1348644129.db2.gz GBUZIGDOBKWOKS-FQEVSTJZSA-N 2 1 345.531 3.031 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857140 1348704702 /nfs/dbraw/zinc/70/47/02/1348704702.db2.gz IMKQOUDQEJJMEX-XLIONFOSSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC2)CC1 ZINC001052859462 1348705366 /nfs/dbraw/zinc/70/53/66/1348705366.db2.gz MDMOIZZVPWLNII-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC2)CC1 ZINC001052859462 1348705367 /nfs/dbraw/zinc/70/53/67/1348705367.db2.gz MDMOIZZVPWLNII-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC2)CC1 ZINC001052859462 1348705370 /nfs/dbraw/zinc/70/53/70/1348705370.db2.gz MDMOIZZVPWLNII-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1)[C@@]12CC[NH+](C1)CCC2 ZINC001052900132 1348734317 /nfs/dbraw/zinc/73/43/17/1348734317.db2.gz FEOTXHQZWNHDGQ-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CCC2CCCC2)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001052900132 1348734320 /nfs/dbraw/zinc/73/43/20/1348734320.db2.gz FEOTXHQZWNHDGQ-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CCC2CCCC2)CC1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001052900132 1348734324 /nfs/dbraw/zinc/73/43/24/1348734324.db2.gz FEOTXHQZWNHDGQ-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3CCC(C)(C)CC3)CC2)C1 ZINC001052933772 1348754547 /nfs/dbraw/zinc/75/45/47/1348754547.db2.gz FNCCHNROFPHJQQ-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC3CCC(C)(C)CC3)CC2)C1 ZINC001052933772 1348754550 /nfs/dbraw/zinc/75/45/50/1348754550.db2.gz FNCCHNROFPHJQQ-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC3CCC(C)(C)CC3)CC2)C1 ZINC001052933772 1348754552 /nfs/dbraw/zinc/75/45/52/1348754552.db2.gz FNCCHNROFPHJQQ-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001052955464 1348769719 /nfs/dbraw/zinc/76/97/19/1348769719.db2.gz GPUAGSVZBFQAPW-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001052955464 1348769724 /nfs/dbraw/zinc/76/97/24/1348769724.db2.gz GPUAGSVZBFQAPW-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001052955464 1348769726 /nfs/dbraw/zinc/76/97/26/1348769726.db2.gz GPUAGSVZBFQAPW-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053100474 1348933628 /nfs/dbraw/zinc/93/36/28/1348933628.db2.gz HIIJRZRMKHWNIH-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054227105 1349220502 /nfs/dbraw/zinc/22/05/02/1349220502.db2.gz DEMZBBSZAULADY-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001054227105 1349220505 /nfs/dbraw/zinc/22/05/05/1349220505.db2.gz DEMZBBSZAULADY-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001054227105 1349220506 /nfs/dbraw/zinc/22/05/06/1349220506.db2.gz DEMZBBSZAULADY-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CC=C(C)C)C2)C1 ZINC001054244351 1349237376 /nfs/dbraw/zinc/23/73/76/1349237376.db2.gz DHHZVMJGCYPHGN-PZJWPPBQSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC=C(C)C)C2)C1 ZINC001054244351 1349237378 /nfs/dbraw/zinc/23/73/78/1349237378.db2.gz DHHZVMJGCYPHGN-PZJWPPBQSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC=C(C)C)C2)C1 ZINC001054244351 1349237381 /nfs/dbraw/zinc/23/73/81/1349237381.db2.gz DHHZVMJGCYPHGN-PZJWPPBQSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)cc2C1 ZINC001054264412 1349261461 /nfs/dbraw/zinc/26/14/61/1349261461.db2.gz DNNVMDPAMAWCTA-FQEVSTJZSA-N 2 1 343.515 3.147 20 0 EGADMP CC(C)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)cc2C1 ZINC001054264412 1349261464 /nfs/dbraw/zinc/26/14/64/1349261464.db2.gz DNNVMDPAMAWCTA-FQEVSTJZSA-N 2 1 343.515 3.147 20 0 EGADMP CC(C)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)cc2C1 ZINC001054264412 1349261468 /nfs/dbraw/zinc/26/14/68/1349261468.db2.gz DNNVMDPAMAWCTA-FQEVSTJZSA-N 2 1 343.515 3.147 20 0 EGADMP CC(C)[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)cc2C1 ZINC001054269628 1349269472 /nfs/dbraw/zinc/26/94/72/1349269472.db2.gz IFZWHHDXZOQIJO-VQTJNVASSA-N 2 1 341.499 3.044 20 0 EGADMP CC(C)[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)cc2C1 ZINC001054269628 1349269474 /nfs/dbraw/zinc/26/94/74/1349269474.db2.gz IFZWHHDXZOQIJO-VQTJNVASSA-N 2 1 341.499 3.044 20 0 EGADMP CC(C)[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)cc2C1 ZINC001054269628 1349269475 /nfs/dbraw/zinc/26/94/75/1349269475.db2.gz IFZWHHDXZOQIJO-VQTJNVASSA-N 2 1 341.499 3.044 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001080021728 1357460853 /nfs/dbraw/zinc/46/08/53/1357460853.db2.gz OJQUFFCRSYXUTA-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C ZINC001080021728 1357460856 /nfs/dbraw/zinc/46/08/56/1357460856.db2.gz OJQUFFCRSYXUTA-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C ZINC001080021728 1357460857 /nfs/dbraw/zinc/46/08/57/1357460857.db2.gz OJQUFFCRSYXUTA-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001054738247 1349450613 /nfs/dbraw/zinc/45/06/13/1349450613.db2.gz OKAIWWXPPVFVRN-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001071545506 1354757901 /nfs/dbraw/zinc/75/79/01/1354757901.db2.gz AQZAWSWYJRCDOW-WBVHZDCISA-N 2 1 349.544 3.359 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001071545506 1354757905 /nfs/dbraw/zinc/75/79/05/1354757905.db2.gz AQZAWSWYJRCDOW-WBVHZDCISA-N 2 1 349.544 3.359 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001071627989 1354811166 /nfs/dbraw/zinc/81/11/66/1354811166.db2.gz MTDGQTLAEBOFIT-RDJZCZTQSA-N 2 1 342.487 3.272 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CCCC1CCC1 ZINC001071645253 1354824295 /nfs/dbraw/zinc/82/42/95/1354824295.db2.gz IFXINJYZFZOCGQ-MJGOQNOKSA-N 2 1 347.547 3.164 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001071735203 1354887461 /nfs/dbraw/zinc/88/74/61/1354887461.db2.gz HUQTUQMGQWMTDQ-AEFFLSMTSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CC1=CCCCC1 ZINC001071873265 1354998072 /nfs/dbraw/zinc/99/80/72/1354998072.db2.gz UDTIKTHOGOMWCG-XLIONFOSSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183165167 1387270871 /nfs/dbraw/zinc/27/08/71/1387270871.db2.gz QDQWRPKNECDTRP-YCIUYBBHSA-N 2 1 349.563 3.149 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[N@@H+]1CCC(C)(C)C ZINC001071998377 1355066147 /nfs/dbraw/zinc/06/61/47/1355066147.db2.gz JEBCVRHFXMOFRS-JKSUJKDBSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[N@H+]1CCC(C)(C)C ZINC001071998377 1355066148 /nfs/dbraw/zinc/06/61/48/1355066148.db2.gz JEBCVRHFXMOFRS-JKSUJKDBSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)CC[N@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072095774 1355127783 /nfs/dbraw/zinc/12/77/83/1355127783.db2.gz OCCWJYKKFLCVAI-YLJYHZDGSA-N 2 1 345.531 3.377 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(C)C)C2)o1 ZINC001072110088 1355136958 /nfs/dbraw/zinc/13/69/58/1355136958.db2.gz SGECDIAJHBIIBV-IAGOWNOFSA-N 2 1 349.519 3.360 20 0 EGADMP CC(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2)[NH+]1CCCC1 ZINC001073460813 1355794499 /nfs/dbraw/zinc/79/44/99/1355794499.db2.gz WGCDSJBISSZELU-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)[C@@H]1C ZINC001074649045 1356220965 /nfs/dbraw/zinc/22/09/65/1356220965.db2.gz NTZXSXPUGDQXRV-WDSOQIARSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448159 1356380812 /nfs/dbraw/zinc/38/08/12/1356380812.db2.gz PKGOUZFUIGUOED-QUCCMNQESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075448159 1356380814 /nfs/dbraw/zinc/38/08/14/1356380814.db2.gz PKGOUZFUIGUOED-QUCCMNQESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075448159 1356380819 /nfs/dbraw/zinc/38/08/19/1356380819.db2.gz PKGOUZFUIGUOED-QUCCMNQESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001183254787 1387285878 /nfs/dbraw/zinc/28/58/78/1387285878.db2.gz GAOPCUKWOBNRKC-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21)[NH+](C)C ZINC001076253379 1356528581 /nfs/dbraw/zinc/52/85/81/1356528581.db2.gz ICPBPZLSVYIWLE-GBESFXJTSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCC(C)(C)C)C[C@H]32)CC1 ZINC001076418513 1356573680 /nfs/dbraw/zinc/57/36/80/1356573680.db2.gz BHEDPXOZPHVBJL-RBUKOAKNSA-N 2 1 349.563 3.076 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099258282 1363718678 /nfs/dbraw/zinc/71/86/78/1363718678.db2.gz PLTXIFWIOSWCDQ-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001082507199 1358052934 /nfs/dbraw/zinc/05/29/34/1358052934.db2.gz HEUDFXFOFKNWHM-RLLQIKCJSA-N 2 1 347.547 3.186 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CCC1CC1 ZINC001082699686 1358077710 /nfs/dbraw/zinc/07/77/10/1358077710.db2.gz PYLLTPUBSULWML-AHRSYUTCSA-N 2 1 347.547 3.020 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405395 1358207587 /nfs/dbraw/zinc/20/75/87/1358207587.db2.gz LGUDQRQNTXKDBK-VAMGGRTRSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084405395 1358207592 /nfs/dbraw/zinc/20/75/92/1358207592.db2.gz LGUDQRQNTXKDBK-VAMGGRTRSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084405395 1358207594 /nfs/dbraw/zinc/20/75/94/1358207594.db2.gz LGUDQRQNTXKDBK-VAMGGRTRSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476436 1358222739 /nfs/dbraw/zinc/22/27/39/1358222739.db2.gz YFCARTVXQDXGQM-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001084476436 1358222741 /nfs/dbraw/zinc/22/27/41/1358222741.db2.gz YFCARTVXQDXGQM-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001084476436 1358222745 /nfs/dbraw/zinc/22/27/45/1358222745.db2.gz YFCARTVXQDXGQM-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3CCCCC3)[C@H]2C1)[NH+](C)C ZINC001084964884 1358355311 /nfs/dbraw/zinc/35/53/11/1358355311.db2.gz WLWICICRFYOGCC-AABGKKOBSA-N 2 1 349.563 3.076 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC001085432573 1358498381 /nfs/dbraw/zinc/49/83/81/1358498381.db2.gz FNKMJOLZNSSDKF-KURKYZTESA-N 2 1 349.544 3.140 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1)c1ccccc1 ZINC001183738788 1387339403 /nfs/dbraw/zinc/33/94/03/1387339403.db2.gz OUMOGVFYEYZAEO-MSOLQXFVSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1)c1ccccc1 ZINC001183738790 1387339609 /nfs/dbraw/zinc/33/96/09/1387339609.db2.gz OUMOGVFYEYZAEO-QZTJIDSGSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1)c1ccc(F)cc1 ZINC001183764968 1387345440 /nfs/dbraw/zinc/34/54/40/1387345440.db2.gz LAGIETZEDGCPEB-QZTJIDSGSA-N 2 1 349.494 3.198 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001085629315 1358646789 /nfs/dbraw/zinc/64/67/89/1358646789.db2.gz QYEFCWCCXTUDPW-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001085629315 1358646792 /nfs/dbraw/zinc/64/67/92/1358646792.db2.gz QYEFCWCCXTUDPW-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001085629315 1358646794 /nfs/dbraw/zinc/64/67/94/1358646794.db2.gz QYEFCWCCXTUDPW-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001085687094 1358687892 /nfs/dbraw/zinc/68/78/92/1358687892.db2.gz ICGCLECFZDFCRO-OALUTQOASA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001085687094 1358687897 /nfs/dbraw/zinc/68/78/97/1358687897.db2.gz ICGCLECFZDFCRO-OALUTQOASA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001085687094 1358687899 /nfs/dbraw/zinc/68/78/99/1358687899.db2.gz ICGCLECFZDFCRO-OALUTQOASA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCC(C)(C)C)C1 ZINC001085778788 1358753754 /nfs/dbraw/zinc/75/37/54/1358753754.db2.gz HJDCFWFYMXHVQB-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC(C)(C)C)C1 ZINC001085778788 1358753758 /nfs/dbraw/zinc/75/37/58/1358753758.db2.gz HJDCFWFYMXHVQB-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCC(C)(C)C)C1 ZINC001085778788 1358753761 /nfs/dbraw/zinc/75/37/61/1358753761.db2.gz HJDCFWFYMXHVQB-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCC2=CCCCC2)CC[N@H+]1C ZINC001085784545 1358759846 /nfs/dbraw/zinc/75/98/46/1358759846.db2.gz WSZXAYRAWWPDKJ-YSIASYRMSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCC2=CCCCC2)CC[NH+]1C ZINC001085784545 1358759851 /nfs/dbraw/zinc/75/98/51/1358759851.db2.gz WSZXAYRAWWPDKJ-YSIASYRMSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCC2=CCCCC2)CC[NH+]1C ZINC001085784545 1358759855 /nfs/dbraw/zinc/75/98/55/1358759855.db2.gz WSZXAYRAWWPDKJ-YSIASYRMSA-N 2 1 347.547 3.140 20 0 EGADMP CN(C[C@@H]1CC[N@@H+]1CCC1CCCC1)C(=O)c1occc1C[NH+](C)C ZINC001085788969 1358762741 /nfs/dbraw/zinc/76/27/41/1358762741.db2.gz YANFHAKSUJJRQU-SFHVURJKSA-N 2 1 347.503 3.068 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCC1CCCC1)C(=O)c1occc1C[NH+](C)C ZINC001085788969 1358762745 /nfs/dbraw/zinc/76/27/45/1358762745.db2.gz YANFHAKSUJJRQU-SFHVURJKSA-N 2 1 347.503 3.068 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC=C(C)C ZINC001085919188 1358878180 /nfs/dbraw/zinc/87/81/80/1358878180.db2.gz VLUBMRVSYBVLNK-RTBURBONSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC=C(C)C ZINC001085919188 1358878181 /nfs/dbraw/zinc/87/81/81/1358878181.db2.gz VLUBMRVSYBVLNK-RTBURBONSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC=C(C)C ZINC001085919188 1358878182 /nfs/dbraw/zinc/87/81/82/1358878182.db2.gz VLUBMRVSYBVLNK-RTBURBONSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC=C(C)C ZINC001085919188 1358878183 /nfs/dbraw/zinc/87/81/83/1358878183.db2.gz VLUBMRVSYBVLNK-RTBURBONSA-N 2 1 335.536 3.140 20 0 EGADMP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001086399729 1359087585 /nfs/dbraw/zinc/08/75/85/1359087585.db2.gz KMEFKFOFDRQYFF-LWYYNNOASA-N 2 1 347.547 3.068 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC001086403159 1359088242 /nfs/dbraw/zinc/08/82/42/1359088242.db2.gz YFHLATGNBKQEMJ-HNBVOPMISA-N 2 1 343.515 3.025 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3=CCCCC3)C2)CC[N@H+]1C ZINC001086786067 1359201190 /nfs/dbraw/zinc/20/11/90/1359201190.db2.gz HMZNHJHFMGAWHM-FRYIKTPZSA-N 2 1 347.547 3.092 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927990 1359252650 /nfs/dbraw/zinc/25/26/50/1359252650.db2.gz RXARRNTXNBOTKQ-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001087236211 1359327987 /nfs/dbraw/zinc/32/79/87/1359327987.db2.gz MJEXCHBOFJFFOT-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001087312070 1359399572 /nfs/dbraw/zinc/39/95/72/1359399572.db2.gz YVSNRRXJWPWOSQ-CEXWTWQISA-N 2 1 349.563 3.122 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2=CCCCC2)[C@@H]1CC ZINC001087593555 1359548033 /nfs/dbraw/zinc/54/80/33/1359548033.db2.gz LAUWQQYKFYZEIT-ZCNNSNEGSA-N 2 1 347.547 3.330 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)[C@@H]1CC ZINC001087593555 1359548035 /nfs/dbraw/zinc/54/80/35/1359548035.db2.gz LAUWQQYKFYZEIT-ZCNNSNEGSA-N 2 1 347.547 3.330 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)[C@@H]1CC ZINC001087593555 1359548037 /nfs/dbraw/zinc/54/80/37/1359548037.db2.gz LAUWQQYKFYZEIT-ZCNNSNEGSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CC1CCCCC1 ZINC001087701659 1359598396 /nfs/dbraw/zinc/59/83/96/1359598396.db2.gz GVOCQAPZHOIGAC-FRYIKTPZSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CC1CCCCC1 ZINC001087701659 1359598399 /nfs/dbraw/zinc/59/83/99/1359598399.db2.gz GVOCQAPZHOIGAC-FRYIKTPZSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CC1CCCCC1 ZINC001087701659 1359598401 /nfs/dbraw/zinc/59/84/01/1359598401.db2.gz GVOCQAPZHOIGAC-FRYIKTPZSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064433 1359740408 /nfs/dbraw/zinc/74/04/08/1359740408.db2.gz FBALJCAQCXRUGD-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3nonc3c2)CC1 ZINC001184206928 1387414755 /nfs/dbraw/zinc/41/47/55/1387414755.db2.gz OFAZUVBEENIQCS-KUHUBIRLSA-N 2 1 328.460 3.356 20 0 EGADMP C[N@@H+](CC(=O)N1CCCCC[C@H]([NH2+]CC2=CCCCC2)C1)C1CCC1 ZINC001088327171 1359831552 /nfs/dbraw/zinc/83/15/52/1359831552.db2.gz HGYWUQARCSSIOZ-IBGZPJMESA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001088394607 1359871146 /nfs/dbraw/zinc/87/11/46/1359871146.db2.gz KMBHNQMBDPBNLC-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001088431527 1359899765 /nfs/dbraw/zinc/89/97/65/1359899765.db2.gz YUKBLXKISPGWLD-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC[N@H+]1CC1CCCCC1 ZINC001088768977 1360036873 /nfs/dbraw/zinc/03/68/73/1360036873.db2.gz MLXPAOIPAGMJQV-LSTHTHJFSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812012 1360060842 /nfs/dbraw/zinc/06/08/42/1360060842.db2.gz HXIQGUPRIMMOPJ-HOJAQTOUSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088812012 1360060845 /nfs/dbraw/zinc/06/08/45/1360060845.db2.gz HXIQGUPRIMMOPJ-HOJAQTOUSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088812012 1360060850 /nfs/dbraw/zinc/06/08/50/1360060850.db2.gz HXIQGUPRIMMOPJ-HOJAQTOUSA-N 2 1 347.547 3.329 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC=C(C)C)[C@@H]1C ZINC001088971007 1360120599 /nfs/dbraw/zinc/12/05/99/1360120599.db2.gz XQKFOFBVZQOSLR-QYZOEREBSA-N 2 1 335.536 3.186 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC=C(C)C)[C@@H]1C ZINC001088971007 1360120601 /nfs/dbraw/zinc/12/06/01/1360120601.db2.gz XQKFOFBVZQOSLR-QYZOEREBSA-N 2 1 335.536 3.186 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC=C(C)C)[C@@H]1C ZINC001088971007 1360120605 /nfs/dbraw/zinc/12/06/05/1360120605.db2.gz XQKFOFBVZQOSLR-QYZOEREBSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001089181270 1360231093 /nfs/dbraw/zinc/23/10/93/1360231093.db2.gz LBKPGMICPHGZQZ-QUCCMNQESA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001089181270 1360231094 /nfs/dbraw/zinc/23/10/94/1360231094.db2.gz LBKPGMICPHGZQZ-QUCCMNQESA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001089181270 1360231097 /nfs/dbraw/zinc/23/10/97/1360231097.db2.gz LBKPGMICPHGZQZ-QUCCMNQESA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407090 1360405275 /nfs/dbraw/zinc/40/52/75/1360405275.db2.gz VZMGYWTXQPPAAN-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089407090 1360405278 /nfs/dbraw/zinc/40/52/78/1360405278.db2.gz VZMGYWTXQPPAAN-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089407090 1360405280 /nfs/dbraw/zinc/40/52/80/1360405280.db2.gz VZMGYWTXQPPAAN-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089426533 1360418916 /nfs/dbraw/zinc/41/89/16/1360418916.db2.gz IYEDRIZWRCPBBJ-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089426533 1360418918 /nfs/dbraw/zinc/41/89/18/1360418918.db2.gz IYEDRIZWRCPBBJ-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC(C)(C)C1 ZINC001089426533 1360418919 /nfs/dbraw/zinc/41/89/19/1360418919.db2.gz IYEDRIZWRCPBBJ-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430862 1360422733 /nfs/dbraw/zinc/42/27/33/1360422733.db2.gz VRYDYOLBWBTLBY-SFHVURJKSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@@H+](CCC3CC3)CC(C)(C)C2)CC1 ZINC001089509150 1360481068 /nfs/dbraw/zinc/48/10/68/1360481068.db2.gz FXRIZPZSKHTUEE-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089511810 1360483466 /nfs/dbraw/zinc/48/34/66/1360483466.db2.gz VVYJHCBEVDKXRQ-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089511810 1360483467 /nfs/dbraw/zinc/48/34/67/1360483467.db2.gz VVYJHCBEVDKXRQ-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089511810 1360483471 /nfs/dbraw/zinc/48/34/71/1360483471.db2.gz VVYJHCBEVDKXRQ-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089564544 1360511722 /nfs/dbraw/zinc/51/17/22/1360511722.db2.gz BPQLQHYZTWYTAB-SFHVURJKSA-N 2 1 345.531 3.379 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089564868 1360511798 /nfs/dbraw/zinc/51/17/98/1360511798.db2.gz KGZBXTDAJYEUDK-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001089564868 1360511800 /nfs/dbraw/zinc/51/18/00/1360511800.db2.gz KGZBXTDAJYEUDK-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1 ZINC001089564868 1360511802 /nfs/dbraw/zinc/51/18/02/1360511802.db2.gz KGZBXTDAJYEUDK-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664818 1360575038 /nfs/dbraw/zinc/57/50/38/1360575038.db2.gz ONOWOMFHJKWSRG-KRWDZBQOSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001089670781 1360581022 /nfs/dbraw/zinc/58/10/22/1360581022.db2.gz ILFSGBAAFUJWTQ-SFHVURJKSA-N 2 1 342.487 3.211 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001089721019 1360623096 /nfs/dbraw/zinc/62/30/96/1360623096.db2.gz CDSKFZMIDSKCTC-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC001091100202 1360991860 /nfs/dbraw/zinc/99/18/60/1360991860.db2.gz KZFFUFFZKIWTDI-SOAGJPPSSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001091100198 1360991954 /nfs/dbraw/zinc/99/19/54/1360991954.db2.gz KXYAILXAQHAKQJ-ACBHZAAOSA-N 2 1 349.563 3.172 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001184577431 1387496619 /nfs/dbraw/zinc/49/66/19/1387496619.db2.gz MNTBWIWSUMQWMQ-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C[NH2+]CCCC1CCC1 ZINC001184577348 1387496780 /nfs/dbraw/zinc/49/67/80/1387496780.db2.gz LYMFMKPRQLUVNB-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001092602582 1361419771 /nfs/dbraw/zinc/41/97/71/1361419771.db2.gz FTRHBULFKKKGJK-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C ZINC001092602582 1361419775 /nfs/dbraw/zinc/41/97/75/1361419775.db2.gz FTRHBULFKKKGJK-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C ZINC001092602582 1361419777 /nfs/dbraw/zinc/41/97/77/1361419777.db2.gz FTRHBULFKKKGJK-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1C ZINC001184711942 1387516999 /nfs/dbraw/zinc/51/69/99/1387516999.db2.gz IEUCNTGHDHMRHV-WBNOOXNUSA-N 2 1 337.552 3.147 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001093765270 1361693279 /nfs/dbraw/zinc/69/32/79/1361693279.db2.gz AOCIFYCWESXOAE-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC001094433980 1361800174 /nfs/dbraw/zinc/80/01/74/1361800174.db2.gz LZBDQKJHCJXZQR-SFHLNBCPSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094433980 1361800176 /nfs/dbraw/zinc/80/01/76/1361800176.db2.gz LZBDQKJHCJXZQR-SFHLNBCPSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094433980 1361800178 /nfs/dbraw/zinc/80/01/78/1361800178.db2.gz LZBDQKJHCJXZQR-SFHLNBCPSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094497706 1361831217 /nfs/dbraw/zinc/83/12/17/1361831217.db2.gz IMSMBUOQPUKDPL-CTAFRAEOSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094497706 1361831221 /nfs/dbraw/zinc/83/12/21/1361831221.db2.gz IMSMBUOQPUKDPL-CTAFRAEOSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094497706 1361831224 /nfs/dbraw/zinc/83/12/24/1361831224.db2.gz IMSMBUOQPUKDPL-CTAFRAEOSA-N 2 1 347.547 3.044 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CC1)CC2 ZINC001094584725 1361870948 /nfs/dbraw/zinc/87/09/48/1361870948.db2.gz DYMDFUWPBYGQPD-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2 ZINC001094584725 1361870953 /nfs/dbraw/zinc/87/09/53/1361870953.db2.gz DYMDFUWPBYGQPD-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2 ZINC001094584725 1361870956 /nfs/dbraw/zinc/87/09/56/1361870956.db2.gz DYMDFUWPBYGQPD-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001095498765 1362157402 /nfs/dbraw/zinc/15/74/02/1362157402.db2.gz CZXAVPZZNPBJCL-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001095498765 1362157405 /nfs/dbraw/zinc/15/74/05/1362157405.db2.gz CZXAVPZZNPBJCL-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001095498765 1362157407 /nfs/dbraw/zinc/15/74/07/1362157407.db2.gz CZXAVPZZNPBJCL-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001095662828 1362198042 /nfs/dbraw/zinc/19/80/42/1362198042.db2.gz VEVRRVGBXXHELG-UAFONNFLSA-N 2 1 340.471 3.024 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095811999 1362241562 /nfs/dbraw/zinc/24/15/62/1362241562.db2.gz AWPJAPORVGOLJX-FUMNGEBKSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001096100963 1362383066 /nfs/dbraw/zinc/38/30/66/1362383066.db2.gz LEMHTVQZKOLNCX-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001096100909 1362383082 /nfs/dbraw/zinc/38/30/82/1362383082.db2.gz JVVZCTJQMGUXRQ-LMCOJAPRSA-N 2 1 349.563 3.409 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCC2)CC1 ZINC001096104048 1362384439 /nfs/dbraw/zinc/38/44/39/1362384439.db2.gz CFZZDNYRIDTISX-AABGKKOBSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097079306 1362835288 /nfs/dbraw/zinc/83/52/88/1362835288.db2.gz ILKZKQVROFWDCS-AFYVEPGGSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001097079306 1362835291 /nfs/dbraw/zinc/83/52/91/1362835291.db2.gz ILKZKQVROFWDCS-AFYVEPGGSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001097079306 1362835295 /nfs/dbraw/zinc/83/52/95/1362835295.db2.gz ILKZKQVROFWDCS-AFYVEPGGSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NC2(C)CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001324334548 1387596221 /nfs/dbraw/zinc/59/62/21/1387596221.db2.gz LQQXQDJYMKSNFX-SFHVURJKSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001097220441 1362890968 /nfs/dbraw/zinc/89/09/68/1362890968.db2.gz RMLUGCDMAVGTMT-NMLBUPMWSA-N 2 1 349.563 3.407 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097220441 1362890969 /nfs/dbraw/zinc/89/09/69/1362890969.db2.gz RMLUGCDMAVGTMT-NMLBUPMWSA-N 2 1 349.563 3.407 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001097220441 1362890971 /nfs/dbraw/zinc/89/09/71/1362890971.db2.gz RMLUGCDMAVGTMT-NMLBUPMWSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)(C)[NH2+]CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001324349344 1387603481 /nfs/dbraw/zinc/60/34/81/1387603481.db2.gz XELHEFNWUOQREK-YQQQUEKLSA-N 2 1 343.515 3.076 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097579713 1363060031 /nfs/dbraw/zinc/06/00/31/1363060031.db2.gz AWPJAPORVGOLJX-ZRNYENFQSA-N 2 1 347.547 3.019 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCC2)CC1 ZINC001098099047 1363222337 /nfs/dbraw/zinc/22/23/37/1363222337.db2.gz CDKAAMIXXLVGDP-AQNXPRMDSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001185090861 1387616831 /nfs/dbraw/zinc/61/68/31/1387616831.db2.gz PFWPYEPLKGUYLW-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC1CCC1)C2 ZINC001099026973 1363582631 /nfs/dbraw/zinc/58/26/31/1363582631.db2.gz ISXGFEGCMQORAL-LMNJBCLMSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC1CCC1)C2 ZINC001099026973 1363582635 /nfs/dbraw/zinc/58/26/35/1363582635.db2.gz ISXGFEGCMQORAL-LMNJBCLMSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC1CCC1)C2 ZINC001099026973 1363582639 /nfs/dbraw/zinc/58/26/39/1363582639.db2.gz ISXGFEGCMQORAL-LMNJBCLMSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001099060616 1363601335 /nfs/dbraw/zinc/60/13/35/1363601335.db2.gz BEADJOMATSNTNG-DYXWJJEUSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115276 1363631373 /nfs/dbraw/zinc/63/13/73/1363631373.db2.gz DENOUBHCVMTNQL-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001099115276 1363631376 /nfs/dbraw/zinc/63/13/76/1363631376.db2.gz DENOUBHCVMTNQL-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001099115276 1363631378 /nfs/dbraw/zinc/63/13/78/1363631378.db2.gz DENOUBHCVMTNQL-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099125558 1363638027 /nfs/dbraw/zinc/63/80/27/1363638027.db2.gz IKMAIDYDYQFZHR-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001099153401 1363659535 /nfs/dbraw/zinc/65/95/35/1363659535.db2.gz KFYAMKXVZPDCAR-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001099204289 1363691568 /nfs/dbraw/zinc/69/15/68/1363691568.db2.gz YBTNITFYQXRLTQ-GHOSXJJBSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](CC)CC ZINC001099276413 1363727871 /nfs/dbraw/zinc/72/78/71/1363727871.db2.gz SIAGKLLMAAFSSD-LPADLIQXSA-N 2 1 337.552 3.291 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CCCC2)C1 ZINC001099311101 1363744600 /nfs/dbraw/zinc/74/46/00/1363744600.db2.gz XRBPONOGYXHHBH-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC2CCCC2)C1 ZINC001099311101 1363744602 /nfs/dbraw/zinc/74/46/02/1363744602.db2.gz XRBPONOGYXHHBH-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC2CCCC2)C1 ZINC001099311101 1363744605 /nfs/dbraw/zinc/74/46/05/1363744605.db2.gz XRBPONOGYXHHBH-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001099320654 1363748739 /nfs/dbraw/zinc/74/87/39/1363748739.db2.gz KWYHRPAYUNOPMW-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001099320654 1363748741 /nfs/dbraw/zinc/74/87/41/1363748741.db2.gz KWYHRPAYUNOPMW-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001099320654 1363748744 /nfs/dbraw/zinc/74/87/44/1363748744.db2.gz KWYHRPAYUNOPMW-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001099349292 1363765490 /nfs/dbraw/zinc/76/54/90/1363765490.db2.gz OXYNFHMADFPDJB-RBUKOAKNSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001099349292 1363765494 /nfs/dbraw/zinc/76/54/94/1363765494.db2.gz OXYNFHMADFPDJB-RBUKOAKNSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185214368 1387652620 /nfs/dbraw/zinc/65/26/20/1387652620.db2.gz GSXWUMGPXCMXPI-ROUUACIJSA-N 2 1 346.519 3.047 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1CC([NH2+]CCCC(C)C)C1 ZINC001100346010 1364086483 /nfs/dbraw/zinc/08/64/83/1364086483.db2.gz LSGVJXWQMFKOAY-AOCRQIFASA-N 2 1 348.535 3.317 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001100406647 1364104058 /nfs/dbraw/zinc/10/40/58/1364104058.db2.gz GNARMFXUYBJXGG-KMJZGYOJSA-N 2 1 349.563 3.480 20 0 EGADMP CCCCCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001100681639 1364216621 /nfs/dbraw/zinc/21/66/21/1364216621.db2.gz OVCHYQJRUFBPJY-UHFFFAOYSA-N 2 1 325.541 3.029 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001101036254 1364383809 /nfs/dbraw/zinc/38/38/09/1364383809.db2.gz LNURPWKHTKKIPX-MHJFOBGBSA-N 2 1 349.563 3.316 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H](C[NH2+]CCC(C)C)[C@H](C)C1 ZINC001185306767 1387677295 /nfs/dbraw/zinc/67/72/95/1387677295.db2.gz MRLBJNNIUZGJLK-IEBWSBKVSA-N 2 1 348.535 3.092 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101441211 1364565487 /nfs/dbraw/zinc/56/54/87/1364565487.db2.gz NWOKHZLSDHIENT-HTQXOKQJSA-N 2 1 349.563 3.245 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101441211 1364565488 /nfs/dbraw/zinc/56/54/88/1364565488.db2.gz NWOKHZLSDHIENT-HTQXOKQJSA-N 2 1 349.563 3.245 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@]2(C)C1 ZINC001101441211 1364565491 /nfs/dbraw/zinc/56/54/91/1364565491.db2.gz NWOKHZLSDHIENT-HTQXOKQJSA-N 2 1 349.563 3.245 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCC(C)C)C[C@@]2(C)C1 ZINC001101476177 1364575616 /nfs/dbraw/zinc/57/56/16/1364575616.db2.gz GYKJOMMSHOJGSF-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCCC(C)C)C[C@@]2(C)C1 ZINC001101476177 1364575620 /nfs/dbraw/zinc/57/56/20/1364575620.db2.gz GYKJOMMSHOJGSF-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCCC(C)C)C[C@@]2(C)C1 ZINC001101476177 1364575621 /nfs/dbraw/zinc/57/56/21/1364575621.db2.gz GYKJOMMSHOJGSF-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001101588265 1364638661 /nfs/dbraw/zinc/63/86/61/1364638661.db2.gz COBJFSIRGCKRQO-KRWDZBQOSA-N 2 1 339.568 3.229 20 0 EGADMP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001101590491 1364641375 /nfs/dbraw/zinc/64/13/75/1364641375.db2.gz UOUXBAOAOIAKHA-SFHVURJKSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001101963175 1364792526 /nfs/dbraw/zinc/79/25/26/1364792526.db2.gz OYTKIWOQDNQRBR-ODWICZQRSA-N 2 1 349.563 3.290 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001101963175 1364792528 /nfs/dbraw/zinc/79/25/28/1364792528.db2.gz OYTKIWOQDNQRBR-ODWICZQRSA-N 2 1 349.563 3.290 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001101963175 1364792531 /nfs/dbraw/zinc/79/25/31/1364792531.db2.gz OYTKIWOQDNQRBR-ODWICZQRSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001101974587 1364795418 /nfs/dbraw/zinc/79/54/18/1364795418.db2.gz GLFOGABTZZAZLA-PWBPZBFBSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001102021140 1364813673 /nfs/dbraw/zinc/81/36/73/1364813673.db2.gz IXFFZXNYHVOQDK-DSTKZSRVSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H](C)C1 ZINC001102021140 1364813687 /nfs/dbraw/zinc/81/36/87/1364813687.db2.gz IXFFZXNYHVOQDK-DSTKZSRVSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H](C)C1 ZINC001102021140 1364813699 /nfs/dbraw/zinc/81/36/99/1364813699.db2.gz IXFFZXNYHVOQDK-DSTKZSRVSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102213940 1364937283 /nfs/dbraw/zinc/93/72/83/1364937283.db2.gz YTZHTJINRXYSAL-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001102285447 1364984886 /nfs/dbraw/zinc/98/48/86/1364984886.db2.gz RJICCRUEPYGIIH-SJLPKXTDSA-N 2 1 349.519 3.075 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330149 1365005106 /nfs/dbraw/zinc/00/51/06/1365005106.db2.gz FNMPAFKTMVYIOZ-QLTKYKRFSA-N 2 1 337.552 3.003 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C)[NH+](C)C ZINC001102330232 1365005423 /nfs/dbraw/zinc/00/54/23/1365005423.db2.gz JVVHJJFOFJBXCN-KZNAEPCWSA-N 2 1 339.568 3.083 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357769 1365020880 /nfs/dbraw/zinc/02/08/80/1365020880.db2.gz IOSNXSACBLTZIV-QFOGUGEJSA-N 2 1 337.552 3.147 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102367038 1365025817 /nfs/dbraw/zinc/02/58/17/1365025817.db2.gz YZUGYGHOKRMKPF-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001102367038 1365025818 /nfs/dbraw/zinc/02/58/18/1365025818.db2.gz YZUGYGHOKRMKPF-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001102367038 1365025822 /nfs/dbraw/zinc/02/58/22/1365025822.db2.gz YZUGYGHOKRMKPF-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102366782 1365026055 /nfs/dbraw/zinc/02/60/55/1365026055.db2.gz QFIQDDYTWOZMNH-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001102366782 1365026058 /nfs/dbraw/zinc/02/60/58/1365026058.db2.gz QFIQDDYTWOZMNH-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001102366782 1365026065 /nfs/dbraw/zinc/02/60/65/1365026065.db2.gz QFIQDDYTWOZMNH-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CCCCC)C[C@H]1C ZINC001102472292 1365073582 /nfs/dbraw/zinc/07/35/82/1365073582.db2.gz SWPRAMFNESLJEU-RTBURBONSA-N 2 1 339.568 3.373 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CCCCC)C[C@H]1C ZINC001102472292 1365073587 /nfs/dbraw/zinc/07/35/87/1365073587.db2.gz SWPRAMFNESLJEU-RTBURBONSA-N 2 1 339.568 3.373 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001102472292 1365073590 /nfs/dbraw/zinc/07/35/90/1365073590.db2.gz SWPRAMFNESLJEU-RTBURBONSA-N 2 1 339.568 3.373 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1C[NH+](CC(C)C)C[C@H]1C)c1ccccc1 ZINC001102509036 1365092255 /nfs/dbraw/zinc/09/22/55/1365092255.db2.gz QUKLGCAIKJOLDZ-RLLQIKCJSA-N 2 1 345.531 3.020 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@H+](CC(C)C)C[C@H]1C)c1ccccc1 ZINC001102509036 1365092258 /nfs/dbraw/zinc/09/22/58/1365092258.db2.gz QUKLGCAIKJOLDZ-RLLQIKCJSA-N 2 1 345.531 3.020 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C)c1ccccc1 ZINC001102509036 1365092261 /nfs/dbraw/zinc/09/22/61/1365092261.db2.gz QUKLGCAIKJOLDZ-RLLQIKCJSA-N 2 1 345.531 3.020 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596813 1365130281 /nfs/dbraw/zinc/13/02/81/1365130281.db2.gz ZBVQGMVTTWZDNO-UYAOXDASSA-N 2 1 349.563 3.127 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001103060567 1365359060 /nfs/dbraw/zinc/35/90/60/1365359060.db2.gz SXMYTTCGFGLPCY-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001103060567 1365359062 /nfs/dbraw/zinc/35/90/62/1365359062.db2.gz SXMYTTCGFGLPCY-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001103060567 1365359068 /nfs/dbraw/zinc/35/90/68/1365359068.db2.gz SXMYTTCGFGLPCY-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103087785 1365374370 /nfs/dbraw/zinc/37/43/70/1365374370.db2.gz NPZITLHIBTYWRG-UIIZDYNOSA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001185546494 1387744408 /nfs/dbraw/zinc/74/44/08/1387744408.db2.gz CKMJBMPSHGZZDQ-ZSQQTYLHSA-N 2 1 337.552 3.149 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495492 1365597295 /nfs/dbraw/zinc/59/72/95/1365597295.db2.gz FEXHITKTKUVTGD-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001103495492 1365597296 /nfs/dbraw/zinc/59/72/96/1365597296.db2.gz FEXHITKTKUVTGD-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001103495492 1365597299 /nfs/dbraw/zinc/59/72/99/1365597299.db2.gz FEXHITKTKUVTGD-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(C)C)C[C@H]1C ZINC001103542608 1365623736 /nfs/dbraw/zinc/62/37/36/1365623736.db2.gz PLHQUQKIOKPMJY-RTBURBONSA-N 2 1 339.568 3.229 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CC(C)C)C[C@H]1C ZINC001103542608 1365623737 /nfs/dbraw/zinc/62/37/37/1365623737.db2.gz PLHQUQKIOKPMJY-RTBURBONSA-N 2 1 339.568 3.229 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001103542608 1365623738 /nfs/dbraw/zinc/62/37/38/1365623738.db2.gz PLHQUQKIOKPMJY-RTBURBONSA-N 2 1 339.568 3.229 20 0 EGADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001103550620 1365629607 /nfs/dbraw/zinc/62/96/07/1365629607.db2.gz ZCEZBTRWNWFLNU-IPMKNSEASA-N 2 1 339.568 3.085 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103755497 1365766087 /nfs/dbraw/zinc/76/60/87/1365766087.db2.gz JLOOGMVDJMOSAB-VAMGGRTRSA-N 2 1 349.563 3.147 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC[NH2+]CCC1CCCC1 ZINC001104294274 1365978221 /nfs/dbraw/zinc/97/82/21/1365978221.db2.gz GUPUVZZENXZJSR-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC[NH2+]CC1=CCCCC1 ZINC001104294285 1365978382 /nfs/dbraw/zinc/97/83/82/1365978382.db2.gz HNAVHJNALCUDOK-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001104422343 1366018506 /nfs/dbraw/zinc/01/85/06/1366018506.db2.gz MSBFUVFVXOAOBZ-LJJUJYJISA-N 2 1 346.519 3.012 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1)CC(C)(C)C ZINC001185723594 1387785274 /nfs/dbraw/zinc/78/52/74/1387785274.db2.gz OTIKNBGHDUOCHL-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001104793907 1366175408 /nfs/dbraw/zinc/17/54/08/1366175408.db2.gz OQMYHTSZXBKMPA-YQVWRLOYSA-N 2 1 348.535 3.092 20 0 EGADMP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001105013382 1366274428 /nfs/dbraw/zinc/27/44/28/1366274428.db2.gz KGSMNRMNQQVENQ-LJJUJYJISA-N 2 1 346.519 3.012 20 0 EGADMP CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001105067467 1366304316 /nfs/dbraw/zinc/30/43/16/1366304316.db2.gz CIGZHOSFXAUBMD-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001105066961 1366304740 /nfs/dbraw/zinc/30/47/40/1366304740.db2.gz HKTHXLPCCKZQLT-PFRNKHFKSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396823 1366445905 /nfs/dbraw/zinc/44/59/05/1366445905.db2.gz WWYVYZSGUYZPRA-HXUWFJFHSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001105396823 1366445907 /nfs/dbraw/zinc/44/59/07/1366445907.db2.gz WWYVYZSGUYZPRA-HXUWFJFHSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001105396823 1366445909 /nfs/dbraw/zinc/44/59/09/1366445909.db2.gz WWYVYZSGUYZPRA-HXUWFJFHSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105562138 1366531808 /nfs/dbraw/zinc/53/18/08/1366531808.db2.gz XGHWWXSWURDZLL-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)CCC1 ZINC001105574689 1366539452 /nfs/dbraw/zinc/53/94/52/1366539452.db2.gz FCUMTPIQJQDDMN-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001106248772 1366633065 /nfs/dbraw/zinc/63/30/65/1366633065.db2.gz YRWBYVZQYHZMIZ-AHSYYPKJSA-N 2 1 349.563 3.005 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CCCC2)[C@H](C)C1 ZINC001107035847 1366862299 /nfs/dbraw/zinc/86/22/99/1366862299.db2.gz AZYNNXSNWVOWTH-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001107425974 1366960854 /nfs/dbraw/zinc/96/08/54/1366960854.db2.gz BBBVYIUUJJJNQQ-QKNQBKEWSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)CCC[C@@H]12 ZINC001107425974 1366960856 /nfs/dbraw/zinc/96/08/56/1366960856.db2.gz BBBVYIUUJJJNQQ-QKNQBKEWSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3CCC)CCC[C@@H]12 ZINC001107425974 1366960858 /nfs/dbraw/zinc/96/08/58/1366960858.db2.gz BBBVYIUUJJJNQQ-QKNQBKEWSA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436890 1366962800 /nfs/dbraw/zinc/96/28/00/1366962800.db2.gz XAOXGDATRXIPMD-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCC(C)(C)C)CC3)CCC1 ZINC001107436759 1366962904 /nfs/dbraw/zinc/96/29/04/1366962904.db2.gz OCSRVDOUBHNWHG-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CCCC1)CC2)[NH+](C)C ZINC001107450515 1366968033 /nfs/dbraw/zinc/96/80/33/1366968033.db2.gz JPAIZTBAOXEWCY-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107544356 1367036033 /nfs/dbraw/zinc/03/60/33/1367036033.db2.gz ZFRNJVMRGCXSGL-QWFCFKBJSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CCC(C)(C)C)CC3)C1 ZINC001107546722 1367036624 /nfs/dbraw/zinc/03/66/24/1367036624.db2.gz MVUZBNMKEQUWNA-DBXWQHBBSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCC(C)(C)C)CC3)C1 ZINC001107546722 1367036629 /nfs/dbraw/zinc/03/66/29/1367036629.db2.gz MVUZBNMKEQUWNA-DBXWQHBBSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCC(C)(C)C)CC3)C1 ZINC001107546722 1367036639 /nfs/dbraw/zinc/03/66/39/1367036639.db2.gz MVUZBNMKEQUWNA-DBXWQHBBSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2 ZINC001107546932 1367036689 /nfs/dbraw/zinc/03/66/89/1367036689.db2.gz UCDSWVLOKBFAQQ-DBXWQHBBSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)(C)C)CC2 ZINC001107546932 1367036690 /nfs/dbraw/zinc/03/66/90/1367036690.db2.gz UCDSWVLOKBFAQQ-DBXWQHBBSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)(C)C)CC2 ZINC001107546932 1367036698 /nfs/dbraw/zinc/03/66/98/1367036698.db2.gz UCDSWVLOKBFAQQ-DBXWQHBBSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107586927 1367058511 /nfs/dbraw/zinc/05/85/11/1367058511.db2.gz DZFHUDNEUWLZTI-YFVAEKQCSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CCCC1)CC2 ZINC001107597111 1367063707 /nfs/dbraw/zinc/06/37/07/1367063707.db2.gz UQARNXPZBMUCNL-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CCCC1)CC2 ZINC001107597111 1367063710 /nfs/dbraw/zinc/06/37/10/1367063710.db2.gz UQARNXPZBMUCNL-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CCCC1)CC2 ZINC001107597111 1367063712 /nfs/dbraw/zinc/06/37/12/1367063712.db2.gz UQARNXPZBMUCNL-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2C[N@@H+](CC(C)C)C[C@H]21 ZINC001189771358 1367106310 /nfs/dbraw/zinc/10/63/10/1367106310.db2.gz MCAIFDOOWAXFSC-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC1CCC(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+](C)C2CCC2)C3)CC1 ZINC001109410612 1367108975 /nfs/dbraw/zinc/10/89/75/1367108975.db2.gz LVJIAODLBYKGOB-BLXWGWSPSA-N 2 1 347.547 3.019 20 0 EGADMP CC1CCC(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@H+](C)C2CCC2)C3)CC1 ZINC001109410612 1367108978 /nfs/dbraw/zinc/10/89/78/1367108978.db2.gz LVJIAODLBYKGOB-BLXWGWSPSA-N 2 1 347.547 3.019 20 0 EGADMP CC1CCC(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C3)CC1 ZINC001109410612 1367108981 /nfs/dbraw/zinc/10/89/81/1367108981.db2.gz LVJIAODLBYKGOB-BLXWGWSPSA-N 2 1 347.547 3.019 20 0 EGADMP CCC[N@H+]1CCC[C@](C)(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001324962401 1387857496 /nfs/dbraw/zinc/85/74/96/1387857496.db2.gz ZUAJGOVTWMHECS-OAQYLSRUSA-N 2 1 345.531 3.033 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109688432 1367282899 /nfs/dbraw/zinc/28/28/99/1367282899.db2.gz OTEUBKTVYFEMJH-JURNUCMPSA-N 2 1 335.536 3.041 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724533 1367293377 /nfs/dbraw/zinc/29/33/77/1367293377.db2.gz XNKJKEGHYFHCSQ-ZNGIMCQPSA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109724533 1367293383 /nfs/dbraw/zinc/29/33/83/1367293383.db2.gz XNKJKEGHYFHCSQ-ZNGIMCQPSA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109724533 1367293389 /nfs/dbraw/zinc/29/33/89/1367293389.db2.gz XNKJKEGHYFHCSQ-ZNGIMCQPSA-N 2 1 349.563 3.432 20 0 EGADMP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001109773095 1367315307 /nfs/dbraw/zinc/31/53/07/1367315307.db2.gz FKULQGFYIDYTSC-BDINKKKZSA-N 2 1 344.503 3.084 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001109773095 1367315312 /nfs/dbraw/zinc/31/53/12/1367315312.db2.gz FKULQGFYIDYTSC-BDINKKKZSA-N 2 1 344.503 3.084 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CC ZINC001109855939 1367359666 /nfs/dbraw/zinc/35/96/66/1367359666.db2.gz ALNPQSGOOXIZKL-RDGPPVDQSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)CC ZINC001109855939 1367359669 /nfs/dbraw/zinc/35/96/69/1367359669.db2.gz ALNPQSGOOXIZKL-RDGPPVDQSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CC ZINC001109855939 1367359676 /nfs/dbraw/zinc/35/96/76/1367359676.db2.gz ALNPQSGOOXIZKL-RDGPPVDQSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)C1 ZINC001109858122 1367363199 /nfs/dbraw/zinc/36/31/99/1367363199.db2.gz VACUUIUTPVCADI-PBDJWPIDSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)C1 ZINC001109858122 1367363203 /nfs/dbraw/zinc/36/32/03/1367363203.db2.gz VACUUIUTPVCADI-PBDJWPIDSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)C1 ZINC001109858122 1367363206 /nfs/dbraw/zinc/36/32/06/1367363206.db2.gz VACUUIUTPVCADI-PBDJWPIDSA-N 2 1 349.563 3.266 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2ccccc2C)C1 ZINC001191029086 1367404735 /nfs/dbraw/zinc/40/47/35/1367404735.db2.gz FUGFIBPKZQEDEB-ROUUACIJSA-N 2 1 345.531 3.319 20 0 EGADMP CC(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191061891 1367414308 /nfs/dbraw/zinc/41/43/08/1367414308.db2.gz NGKXOVOXUPWHLB-GOSISDBHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001191061891 1367414311 /nfs/dbraw/zinc/41/43/11/1367414311.db2.gz NGKXOVOXUPWHLB-GOSISDBHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001191061891 1367414314 /nfs/dbraw/zinc/41/43/14/1367414314.db2.gz NGKXOVOXUPWHLB-GOSISDBHSA-N 2 1 337.552 3.218 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001109957662 1367426488 /nfs/dbraw/zinc/42/64/88/1367426488.db2.gz OJKSSKSEYQJRFH-AABGKKOBSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1ccccc1 ZINC001110019113 1367461184 /nfs/dbraw/zinc/46/11/84/1367461184.db2.gz FTNSAQUDDVBBPQ-RNQOJCNYSA-N 2 1 343.515 3.201 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ccccc1 ZINC001110019113 1367461188 /nfs/dbraw/zinc/46/11/88/1367461188.db2.gz FTNSAQUDDVBBPQ-RNQOJCNYSA-N 2 1 343.515 3.201 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ccccc1 ZINC001110019113 1367461191 /nfs/dbraw/zinc/46/11/91/1367461191.db2.gz FTNSAQUDDVBBPQ-RNQOJCNYSA-N 2 1 343.515 3.201 20 0 EGADMP CC[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191543786 1367525230 /nfs/dbraw/zinc/52/52/30/1367525230.db2.gz SKOPKXHGOGHLPB-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148084 1367525860 /nfs/dbraw/zinc/52/58/60/1367525860.db2.gz IHMJQZWTVZMIHM-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148181 1367526073 /nfs/dbraw/zinc/52/60/73/1367526073.db2.gz MUSOBRRJWVDMAZ-GUDQURTESA-N 2 1 347.547 3.330 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CC[C@H]([N@@H+](C)CCC3CCCC3)C2)CCCC1 ZINC001191560345 1367527806 /nfs/dbraw/zinc/52/78/06/1367527806.db2.gz CYFXBCSLBYZCMN-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CC[C@H]([N@@H+](C)Cc3ccsc3)C2)CCCC1 ZINC001191561492 1367528389 /nfs/dbraw/zinc/52/83/89/1367528389.db2.gz PBKXTZOZXFHSSH-KRWDZBQOSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CC[C@@H]([N@@H+](C)CC3CC(C)(C)C3)C2)CCCC1 ZINC001191562167 1367528885 /nfs/dbraw/zinc/52/88/85/1367528885.db2.gz ZGGIPRHVCKBPFT-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC2(CC2)CC1 ZINC001110160512 1367532463 /nfs/dbraw/zinc/53/24/63/1367532463.db2.gz RYQHHKSCQLTDKM-QYZOEREBSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC2(CC2)CC1 ZINC001110160512 1367532466 /nfs/dbraw/zinc/53/24/66/1367532466.db2.gz RYQHHKSCQLTDKM-QYZOEREBSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC2(CC2)CC1 ZINC001110160512 1367532470 /nfs/dbraw/zinc/53/24/70/1367532470.db2.gz RYQHHKSCQLTDKM-QYZOEREBSA-N 2 1 347.547 3.019 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161714 1367534647 /nfs/dbraw/zinc/53/46/47/1367534647.db2.gz QPZJFZCOPGRVHM-YDZRNGNQSA-N 2 1 335.536 3.019 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684666 1367560455 /nfs/dbraw/zinc/56/04/55/1367560455.db2.gz TVFWZTYLNXPNPO-KRWDZBQOSA-N 2 1 337.552 3.220 20 0 EGADMP C[N@@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684464 1367560656 /nfs/dbraw/zinc/56/06/56/1367560656.db2.gz SAQNRZBQHKNXGH-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001108764083 1367579890 /nfs/dbraw/zinc/57/98/90/1367579890.db2.gz DHDPHGFPXQPKAG-LNMLPRMJSA-N 2 1 349.563 3.290 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192325619 1367752715 /nfs/dbraw/zinc/75/27/15/1367752715.db2.gz MGRCHCHWTLMSTQ-MSOLQXFVSA-N 2 1 325.541 3.076 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1)[NH+](CC)CC ZINC001192325087 1367752777 /nfs/dbraw/zinc/75/27/77/1367752777.db2.gz JSCKPKMPNYARPU-SJORKVTESA-N 2 1 325.541 3.076 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192394863 1367772693 /nfs/dbraw/zinc/77/26/93/1367772693.db2.gz FYQWUOZMDABVRA-MSOLQXFVSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@@H](C)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192394863 1367772702 /nfs/dbraw/zinc/77/27/02/1367772702.db2.gz FYQWUOZMDABVRA-MSOLQXFVSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@@H](C)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192394863 1367772708 /nfs/dbraw/zinc/77/27/08/1367772708.db2.gz FYQWUOZMDABVRA-MSOLQXFVSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192595221 1367828574 /nfs/dbraw/zinc/82/85/74/1367828574.db2.gz INWCIXWVDHSUOD-ZWKOTPCHSA-N 2 1 348.535 3.221 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192595221 1367828578 /nfs/dbraw/zinc/82/85/78/1367828578.db2.gz INWCIXWVDHSUOD-ZWKOTPCHSA-N 2 1 348.535 3.221 20 0 EGADMP CC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641096 1367839155 /nfs/dbraw/zinc/83/91/55/1367839155.db2.gz IMRQJTVYUFIIBU-MJRGOJFPSA-N 2 1 346.519 3.286 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641096 1367839157 /nfs/dbraw/zinc/83/91/57/1367839157.db2.gz IMRQJTVYUFIIBU-MJRGOJFPSA-N 2 1 346.519 3.286 20 0 EGADMP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641094 1367839483 /nfs/dbraw/zinc/83/94/83/1367839483.db2.gz IMRQJTVYUFIIBU-HPFMTEOYSA-N 2 1 346.519 3.286 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641094 1367839489 /nfs/dbraw/zinc/83/94/89/1367839489.db2.gz IMRQJTVYUFIIBU-HPFMTEOYSA-N 2 1 346.519 3.286 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCC2)C1 ZINC001192671598 1367846117 /nfs/dbraw/zinc/84/61/17/1367846117.db2.gz OEJKIQLPHBQAFO-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1 ZINC001192671598 1367846121 /nfs/dbraw/zinc/84/61/21/1367846121.db2.gz OEJKIQLPHBQAFO-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001192671598 1367846122 /nfs/dbraw/zinc/84/61/22/1367846122.db2.gz OEJKIQLPHBQAFO-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192844937 1367886676 /nfs/dbraw/zinc/88/66/76/1367886676.db2.gz COUCAVXJMSEBIN-FQEVSTJZSA-N 2 1 345.531 3.331 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917438 1367903634 /nfs/dbraw/zinc/90/36/34/1367903634.db2.gz OMCKESZEWOYRRN-MOPGFXCFSA-N 2 1 339.568 3.466 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCCC(C)C)C1)C(C)C ZINC001192918163 1367904474 /nfs/dbraw/zinc/90/44/74/1367904474.db2.gz XZSRMAWTBZHCFI-OALUTQOASA-N 2 1 339.568 3.322 20 0 EGADMP CC[C@H]1C[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@H]1O ZINC001193000305 1367920942 /nfs/dbraw/zinc/92/09/42/1367920942.db2.gz BOROACNQTYMHRC-LEWJYISDSA-N 2 1 330.516 3.034 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110684455 1367926252 /nfs/dbraw/zinc/92/62/52/1367926252.db2.gz LDCOSHSVHGWWAG-MANSERQUSA-N 2 1 349.563 3.409 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001110684455 1367926253 /nfs/dbraw/zinc/92/62/53/1367926253.db2.gz LDCOSHSVHGWWAG-MANSERQUSA-N 2 1 349.563 3.409 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001110684455 1367926255 /nfs/dbraw/zinc/92/62/55/1367926255.db2.gz LDCOSHSVHGWWAG-MANSERQUSA-N 2 1 349.563 3.409 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2cc(C)ccc2C)C1 ZINC001193280022 1367989228 /nfs/dbraw/zinc/98/92/28/1367989228.db2.gz SUSWQRDHXNUJIC-RBUKOAKNSA-N 2 1 345.531 3.239 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2cc(C)ccc2C)C1 ZINC001193280022 1367989236 /nfs/dbraw/zinc/98/92/36/1367989236.db2.gz SUSWQRDHXNUJIC-RBUKOAKNSA-N 2 1 345.531 3.239 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2cc(C)ccc2C)C1 ZINC001193280022 1367989243 /nfs/dbraw/zinc/98/92/43/1367989243.db2.gz SUSWQRDHXNUJIC-RBUKOAKNSA-N 2 1 345.531 3.239 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC001193423823 1368025799 /nfs/dbraw/zinc/02/57/99/1368025799.db2.gz GTUPGBKKOUCCMO-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@@H+](C)C/C=C\Cl)C1 ZINC001193425281 1368027649 /nfs/dbraw/zinc/02/76/49/1368027649.db2.gz UXKUIHXRLNBFDJ-CGQZWFTASA-N 2 1 343.943 3.174 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001193560820 1368062377 /nfs/dbraw/zinc/06/23/77/1368062377.db2.gz VHGRLZVMBSDNDL-QUCCMNQESA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2cc(C)ccc2C)C1 ZINC001193639535 1368081898 /nfs/dbraw/zinc/08/18/98/1368081898.db2.gz AKUKSVHSQSWTFC-RBUKOAKNSA-N 2 1 345.531 3.239 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2cc(C)ccc2C)C1 ZINC001193639535 1368081906 /nfs/dbraw/zinc/08/19/06/1368081906.db2.gz AKUKSVHSQSWTFC-RBUKOAKNSA-N 2 1 345.531 3.239 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2cc(C)ccc2C)C1 ZINC001193639535 1368081917 /nfs/dbraw/zinc/08/19/17/1368081917.db2.gz AKUKSVHSQSWTFC-RBUKOAKNSA-N 2 1 345.531 3.239 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC1 ZINC001111160416 1368170231 /nfs/dbraw/zinc/17/02/31/1368170231.db2.gz WPURVHVWUOBGRZ-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1 ZINC001111160416 1368170237 /nfs/dbraw/zinc/17/02/37/1368170237.db2.gz WPURVHVWUOBGRZ-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001111160416 1368170239 /nfs/dbraw/zinc/17/02/39/1368170239.db2.gz WPURVHVWUOBGRZ-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111179401 1368182536 /nfs/dbraw/zinc/18/25/36/1368182536.db2.gz GAEMBWPETJYZOI-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226882 1368212122 /nfs/dbraw/zinc/21/21/22/1368212122.db2.gz HPHHCZZCKMRZJQ-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001194265402 1368219480 /nfs/dbraw/zinc/21/94/80/1368219480.db2.gz CVFANMPDTFVGEE-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001194265402 1368219484 /nfs/dbraw/zinc/21/94/84/1368219484.db2.gz CVFANMPDTFVGEE-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001194265402 1368219486 /nfs/dbraw/zinc/21/94/86/1368219486.db2.gz CVFANMPDTFVGEE-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298562 1368257440 /nfs/dbraw/zinc/25/74/40/1368257440.db2.gz DJVGFYGJDCXQEU-MKXGPGLRSA-N 2 1 337.552 3.122 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782342 1368459877 /nfs/dbraw/zinc/45/98/77/1368459877.db2.gz FBPWVNUDFLZPFN-YJKCGTDLSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001111782342 1368459881 /nfs/dbraw/zinc/45/98/81/1368459881.db2.gz FBPWVNUDFLZPFN-YJKCGTDLSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001111782342 1368459883 /nfs/dbraw/zinc/45/98/83/1368459883.db2.gz FBPWVNUDFLZPFN-YJKCGTDLSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001111817864 1368480331 /nfs/dbraw/zinc/48/03/31/1368480331.db2.gz GNANGGIEAHDUNC-RXVVDRJESA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001111817864 1368480333 /nfs/dbraw/zinc/48/03/33/1368480333.db2.gz GNANGGIEAHDUNC-RXVVDRJESA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001111817864 1368480338 /nfs/dbraw/zinc/48/03/38/1368480338.db2.gz GNANGGIEAHDUNC-RXVVDRJESA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCC(C)(C)C)C3)CC1 ZINC001111855972 1368508556 /nfs/dbraw/zinc/50/85/56/1368508556.db2.gz VFKZKYVFBUPMPN-UWJYYQICSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001196201049 1368567257 /nfs/dbraw/zinc/56/72/57/1368567257.db2.gz SWVYUCSGCCVYQB-UEKDZROGSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001196201049 1368567260 /nfs/dbraw/zinc/56/72/60/1368567260.db2.gz SWVYUCSGCCVYQB-UEKDZROGSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001196201049 1368567263 /nfs/dbraw/zinc/56/72/63/1368567263.db2.gz SWVYUCSGCCVYQB-UEKDZROGSA-N 2 1 335.536 3.142 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)c1ccccc1)C2 ZINC001111949851 1368571285 /nfs/dbraw/zinc/57/12/85/1368571285.db2.gz WYTMDHSKLKNXQP-CUWPLCDZSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1ccccc1)C2 ZINC001111949851 1368571289 /nfs/dbraw/zinc/57/12/89/1368571289.db2.gz WYTMDHSKLKNXQP-CUWPLCDZSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1ccccc1)C2 ZINC001111949851 1368571293 /nfs/dbraw/zinc/57/12/93/1368571293.db2.gz WYTMDHSKLKNXQP-CUWPLCDZSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)c1ccccc1)C2 ZINC001111949852 1368571378 /nfs/dbraw/zinc/57/13/78/1368571378.db2.gz WYTMDHSKLKNXQP-LMNJBCLMSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1ccccc1)C2 ZINC001111949852 1368571380 /nfs/dbraw/zinc/57/13/80/1368571380.db2.gz WYTMDHSKLKNXQP-LMNJBCLMSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1ccccc1)C2 ZINC001111949852 1368571385 /nfs/dbraw/zinc/57/13/85/1368571385.db2.gz WYTMDHSKLKNXQP-LMNJBCLMSA-N 2 1 343.515 3.060 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001196275129 1368581156 /nfs/dbraw/zinc/58/11/56/1368581156.db2.gz GQJLRQSSGCMULE-PLNGDYQASA-N 2 1 347.547 3.143 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001196342043 1368593724 /nfs/dbraw/zinc/59/37/24/1368593724.db2.gz VMTIHTBMLVDEJG-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+](Cc2cc(C)cc(C)c2)CC1 ZINC001196342043 1368593727 /nfs/dbraw/zinc/59/37/27/1368593727.db2.gz VMTIHTBMLVDEJG-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+](Cc2cc(C)cc(C)c2)CC1 ZINC001196342043 1368593729 /nfs/dbraw/zinc/59/37/29/1368593729.db2.gz VMTIHTBMLVDEJG-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112006167 1368608480 /nfs/dbraw/zinc/60/84/80/1368608480.db2.gz LGVKXEWGGLVRJH-ICSRJNTNSA-N 2 1 335.536 3.023 20 0 EGADMP CC[C@@H](C(=O)N1CCC[N@@H+](CC2CC3(CCC3)C2)CC1)[NH+](CC)CC ZINC001197141714 1368753711 /nfs/dbraw/zinc/75/37/11/1368753711.db2.gz NHWMMIAPXJZQIF-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001197158028 1368757281 /nfs/dbraw/zinc/75/72/81/1368757281.db2.gz DDPXRVBAWASPQM-UHFFFAOYSA-N 2 1 345.531 3.129 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001197188220 1368761413 /nfs/dbraw/zinc/76/14/13/1368761413.db2.gz WGDAUKSTXXFQGQ-SFHVURJKSA-N 2 1 339.568 3.181 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001197300515 1368783016 /nfs/dbraw/zinc/78/30/16/1368783016.db2.gz LXFMPEHPASLNPO-UHFFFAOYSA-N 2 1 348.535 3.367 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001197300515 1368783019 /nfs/dbraw/zinc/78/30/19/1368783019.db2.gz LXFMPEHPASLNPO-UHFFFAOYSA-N 2 1 348.535 3.367 20 0 EGADMP CC(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001112353679 1368784643 /nfs/dbraw/zinc/78/46/43/1368784643.db2.gz VYJQNPGMSAQEQV-ZVDOUQERSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001112396850 1368822421 /nfs/dbraw/zinc/82/24/21/1368822421.db2.gz HDASSWPBESYXFZ-ZJOUEHCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@@H+](CCC(C)(C)C)CC1)C(C)C ZINC001197485060 1368824440 /nfs/dbraw/zinc/82/44/40/1368824440.db2.gz KSTJUCHZYMMCGI-GOSISDBHSA-N 2 1 339.568 3.323 20 0 EGADMP CCCC[N@H+]1CCCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001197794566 1368897770 /nfs/dbraw/zinc/89/77/70/1368897770.db2.gz LUDBXLGLCRIADE-UHFFFAOYSA-N 2 1 325.541 3.223 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001197907482 1368922975 /nfs/dbraw/zinc/92/29/75/1368922975.db2.gz FUYVAODCGTWSCV-LJQANCHMSA-N 2 1 345.531 3.322 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@H](C)c2ccccc2C)CC1 ZINC001197907482 1368922984 /nfs/dbraw/zinc/92/29/84/1368922984.db2.gz FUYVAODCGTWSCV-LJQANCHMSA-N 2 1 345.531 3.322 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@H+]([C@H](C)c2ccccc2C)CC1 ZINC001197907482 1368922989 /nfs/dbraw/zinc/92/29/89/1368922989.db2.gz FUYVAODCGTWSCV-LJQANCHMSA-N 2 1 345.531 3.322 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198242951 1368988079 /nfs/dbraw/zinc/98/80/79/1368988079.db2.gz BGHIYEBEDDXTBO-SNAWJCMRSA-N 2 1 335.536 3.143 20 0 EGADMP CC(C)c1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001198283392 1368997341 /nfs/dbraw/zinc/99/73/41/1368997341.db2.gz YCJUNQKHJJZFEE-UHFFFAOYSA-N 2 1 345.531 3.185 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198283392 1368997342 /nfs/dbraw/zinc/99/73/42/1368997342.db2.gz YCJUNQKHJJZFEE-UHFFFAOYSA-N 2 1 345.531 3.185 20 0 EGADMP CC(C)c1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198283392 1368997345 /nfs/dbraw/zinc/99/73/45/1368997345.db2.gz YCJUNQKHJJZFEE-UHFFFAOYSA-N 2 1 345.531 3.185 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001112966461 1369113410 /nfs/dbraw/zinc/11/34/10/1369113410.db2.gz ZUIFNOIKFBCLIV-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(C)nc3sc(C)nn23)c1 ZINC001200244372 1369334091 /nfs/dbraw/zinc/33/40/91/1369334091.db2.gz SRXOXSRIGPHICT-UHFFFAOYSA-N 2 1 343.500 3.149 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2OC(F)(F)O3)C1 ZINC001200255250 1369336105 /nfs/dbraw/zinc/33/61/05/1369336105.db2.gz MZFMGCFJPUGPQE-ZDUSSCGKSA-N 2 1 326.387 3.218 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2OC(F)(F)O3)C1 ZINC001200255250 1369336111 /nfs/dbraw/zinc/33/61/11/1369336111.db2.gz MZFMGCFJPUGPQE-ZDUSSCGKSA-N 2 1 326.387 3.218 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H](C)CC(C)C)CC1 ZINC001200894324 1369445390 /nfs/dbraw/zinc/44/53/90/1369445390.db2.gz PHGOWSJRVJVKBP-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001201043795 1369470463 /nfs/dbraw/zinc/47/04/63/1369470463.db2.gz JMHTWWYHKFCLQX-LJQANCHMSA-N 2 1 337.552 3.410 20 0 EGADMP CCC(CC)C[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001113529588 1369479413 /nfs/dbraw/zinc/47/94/13/1369479413.db2.gz WPFZVLPBTURUMF-FQEVSTJZSA-N 2 1 345.531 3.260 20 0 EGADMP CCC(CC)C[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001113529588 1369479418 /nfs/dbraw/zinc/47/94/18/1369479418.db2.gz WPFZVLPBTURUMF-FQEVSTJZSA-N 2 1 345.531 3.260 20 0 EGADMP CC(C)=CC[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001201378951 1369530544 /nfs/dbraw/zinc/53/05/44/1369530544.db2.gz RWFITUFECVYYCI-UHFFFAOYSA-N 2 1 335.536 3.186 20 0 EGADMP Cn1cc(C[N@H+]2CCCC23CC[NH+](CC2CCCCC2)CC3)cn1 ZINC001201392851 1369534842 /nfs/dbraw/zinc/53/48/42/1369534842.db2.gz FWKBWVWJLZGQGD-UHFFFAOYSA-N 2 1 330.520 3.431 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201399511 1369536797 /nfs/dbraw/zinc/53/67/97/1369536797.db2.gz ILUKPFQMKHNTBO-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[C@@H](CC)C[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001201561308 1369576938 /nfs/dbraw/zinc/57/69/38/1369576938.db2.gz ZQCVYKFDCPIBOG-GOSISDBHSA-N 2 1 347.547 3.027 20 0 EGADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CCC(C)C)CC2 ZINC001201618448 1369591341 /nfs/dbraw/zinc/59/13/41/1369591341.db2.gz XXNGWBKUQKRZCD-HXUWFJFHSA-N 2 1 345.531 3.431 20 0 EGADMP CN1CCN(c2cc(Nc3cc[nH+]c(C(C)(C)C)c3)cc[nH+]2)CC1 ZINC001201655706 1369598514 /nfs/dbraw/zinc/59/85/14/1369598514.db2.gz QPCKRVWYMTYIMN-UHFFFAOYSA-N 2 1 325.460 3.270 20 0 EGADMP Cc1cccc(C[NH2+]C2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)c1 ZINC001202526988 1369799909 /nfs/dbraw/zinc/79/99/09/1369799909.db2.gz UKFPDEQYCMGMMO-UHFFFAOYSA-N 2 1 345.531 3.054 20 0 EGADMP C[C@@H]([NH2+]C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1)c1ccccc1 ZINC001202539068 1369803102 /nfs/dbraw/zinc/80/31/02/1369803102.db2.gz IQWYLKDOWIZYJA-QGZVFWFLSA-N 2 1 345.531 3.306 20 0 EGADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CC4CCOCC4)CC[C@@H]3C2)cc1 ZINC001202611016 1369823039 /nfs/dbraw/zinc/82/30/39/1369823039.db2.gz IHJFHPVRFVGOCC-RTWAWAEBSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CC4CCOCC4)CC[C@@H]3C2)cc1 ZINC001202611016 1369823045 /nfs/dbraw/zinc/82/30/45/1369823045.db2.gz IHJFHPVRFVGOCC-RTWAWAEBSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CC4CCOCC4)CC[C@@H]3C2)cc1 ZINC001202611016 1369823048 /nfs/dbraw/zinc/82/30/48/1369823048.db2.gz IHJFHPVRFVGOCC-RTWAWAEBSA-N 2 1 328.500 3.257 20 0 EGADMP c1cc(C[N@@H+]2CCC3(C2)CC[NH+](CCC2CCOCC2)CC3)co1 ZINC001202651681 1369837412 /nfs/dbraw/zinc/83/74/12/1369837412.db2.gz NLRNTVQDJVXITP-UHFFFAOYSA-N 2 1 332.488 3.384 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001202872597 1369914390 /nfs/dbraw/zinc/91/43/90/1369914390.db2.gz IUPDAKUOFZFRHO-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC([N@H+](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001203002001 1369950685 /nfs/dbraw/zinc/95/06/85/1369950685.db2.gz LPTMWERZCJOOCR-UHFFFAOYSA-N 2 1 327.513 3.050 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001203002001 1369950690 /nfs/dbraw/zinc/95/06/90/1369950690.db2.gz LPTMWERZCJOOCR-UHFFFAOYSA-N 2 1 327.513 3.050 20 0 EGADMP CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203044703 1369965098 /nfs/dbraw/zinc/96/50/98/1369965098.db2.gz PBLUWDIJJPYNPT-QZTJIDSGSA-N 2 1 335.536 3.068 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203102290 1369983863 /nfs/dbraw/zinc/98/38/63/1369983863.db2.gz HQLCQFSRRCYCGK-DLBZAZTESA-N 2 1 349.563 3.170 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4cccc5nonc54)C3)C2)cc1 ZINC001203137563 1369994534 /nfs/dbraw/zinc/99/45/34/1369994534.db2.gz KGTOQFPZHQASSE-OAQYLSRUSA-N 2 1 348.450 3.321 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4cccc5nonc54)C3)C2)cc1 ZINC001203137563 1369994538 /nfs/dbraw/zinc/99/45/38/1369994538.db2.gz KGTOQFPZHQASSE-OAQYLSRUSA-N 2 1 348.450 3.321 20 0 EGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4cccc5nonc54)C3)C2)cc1 ZINC001203137563 1369994539 /nfs/dbraw/zinc/99/45/39/1369994539.db2.gz KGTOQFPZHQASSE-OAQYLSRUSA-N 2 1 348.450 3.321 20 0 EGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4cccc5nonc54)C3)C2)cc1 ZINC001203137563 1369994542 /nfs/dbraw/zinc/99/45/42/1369994542.db2.gz KGTOQFPZHQASSE-OAQYLSRUSA-N 2 1 348.450 3.321 20 0 EGADMP Cc1cncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001203180526 1370012571 /nfs/dbraw/zinc/01/25/71/1370012571.db2.gz MZEDHNYUDMCBDL-UXHICEINSA-N 2 1 336.483 3.129 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001203214555 1370028251 /nfs/dbraw/zinc/02/82/51/1370028251.db2.gz LQAHUDYJMVUJML-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001203459428 1370133350 /nfs/dbraw/zinc/13/33/50/1370133350.db2.gz DWPTXJDFDKROMR-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C12CCC2 ZINC001203641169 1370198295 /nfs/dbraw/zinc/19/82/95/1370198295.db2.gz ORXBLIXZWVRBHL-QZTJIDSGSA-N 2 1 337.552 3.316 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)cc1C)C2 ZINC001203732775 1370239691 /nfs/dbraw/zinc/23/96/91/1370239691.db2.gz WXKLUKWBDHGIAG-YADHBBJMSA-N 2 1 342.527 3.484 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C)cc1C)C2 ZINC001203732775 1370239704 /nfs/dbraw/zinc/23/97/04/1370239704.db2.gz WXKLUKWBDHGIAG-YADHBBJMSA-N 2 1 342.527 3.484 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C)cc1C)C2 ZINC001203732775 1370239706 /nfs/dbraw/zinc/23/97/06/1370239706.db2.gz WXKLUKWBDHGIAG-YADHBBJMSA-N 2 1 342.527 3.484 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(Cl)cc4)C[C@H]3C2)cn1 ZINC001203920940 1370315640 /nfs/dbraw/zinc/31/56/40/1370315640.db2.gz TYPTZTFHNUYONQ-QZTJIDSGSA-N 2 1 344.890 3.027 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(Cl)cc4)C[C@H]3C2)cn1 ZINC001203920940 1370315643 /nfs/dbraw/zinc/31/56/43/1370315643.db2.gz TYPTZTFHNUYONQ-QZTJIDSGSA-N 2 1 344.890 3.027 20 0 EGADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(Cl)cc4)C[C@H]3C2)cn1 ZINC001203920940 1370315648 /nfs/dbraw/zinc/31/56/48/1370315648.db2.gz TYPTZTFHNUYONQ-QZTJIDSGSA-N 2 1 344.890 3.027 20 0 EGADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(Cl)cc4)C[C@H]3C2)cn1 ZINC001203920940 1370315651 /nfs/dbraw/zinc/31/56/51/1370315651.db2.gz TYPTZTFHNUYONQ-QZTJIDSGSA-N 2 1 344.890 3.027 20 0 EGADMP COc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c(OC)c1C ZINC001204263775 1370426389 /nfs/dbraw/zinc/42/63/89/1370426389.db2.gz CEAZVHBUNOZHBO-UHFFFAOYSA-N 2 1 341.455 3.038 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H](COCC3CC3)C2)cc1 ZINC001204269857 1370428470 /nfs/dbraw/zinc/42/84/70/1370428470.db2.gz LKUGUKFQZYPHTR-FQEVSTJZSA-N 2 1 346.515 3.266 20 0 EGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(OC(C)C)cc2)CC1 ZINC001204456193 1370481622 /nfs/dbraw/zinc/48/16/22/1370481622.db2.gz FOZOVCXEDAGENB-UHFFFAOYSA-N 2 1 325.456 3.499 20 0 EGADMP COc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1OCC1CC1 ZINC001204735570 1370559184 /nfs/dbraw/zinc/55/91/84/1370559184.db2.gz XYBVOULMKUSRMX-UHFFFAOYSA-N 2 1 344.499 3.450 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001115562644 1370562164 /nfs/dbraw/zinc/56/21/64/1370562164.db2.gz DJWXJPDKGWRMIP-MRDWYFFCSA-N 2 1 341.927 3.022 20 0 EGADMP Cc1cc(Oc2ccccc2)ccc1C[N@@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204756347 1370567528 /nfs/dbraw/zinc/56/75/28/1370567528.db2.gz NPCFYRRVXOWONY-FQEVSTJZSA-N 2 1 326.440 3.337 20 0 EGADMP Cc1cc(Oc2ccccc2)ccc1C[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204756347 1370567535 /nfs/dbraw/zinc/56/75/35/1370567535.db2.gz NPCFYRRVXOWONY-FQEVSTJZSA-N 2 1 326.440 3.337 20 0 EGADMP CC(C)(C[N@H+]1CCO[C@@H](CC[NH3+])C1)Sc1ccc(Cl)cc1 ZINC001204756675 1370567710 /nfs/dbraw/zinc/56/77/10/1370567710.db2.gz RPVSPEDGAHVECO-AWEZNQCLSA-N 2 1 328.909 3.260 20 0 EGADMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)CCO1 ZINC001204756987 1370568485 /nfs/dbraw/zinc/56/84/85/1370568485.db2.gz VWUYFYSIZREDMS-KRWDZBQOSA-N 2 1 332.394 3.181 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115611275 1370610188 /nfs/dbraw/zinc/61/01/88/1370610188.db2.gz APMDNVZNJGJJFM-LJQANCHMSA-N 2 1 349.563 3.316 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cnc(-c3ccc(OC)cc3)s2)C1 ZINC001205009267 1370627762 /nfs/dbraw/zinc/62/77/62/1370627762.db2.gz LUVVAGDPPMRCGK-CQSZACIVSA-N 2 1 331.485 3.250 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccc(OC)cc3)s2)C1 ZINC001205009267 1370627768 /nfs/dbraw/zinc/62/77/68/1370627768.db2.gz LUVVAGDPPMRCGK-CQSZACIVSA-N 2 1 331.485 3.250 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001205016303 1370628498 /nfs/dbraw/zinc/62/84/98/1370628498.db2.gz IHGUEKOTXYGASD-ZDUSSCGKSA-N 2 1 334.357 3.355 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001205016303 1370628503 /nfs/dbraw/zinc/62/85/03/1370628503.db2.gz IHGUEKOTXYGASD-ZDUSSCGKSA-N 2 1 334.357 3.355 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001187276376 1388085373 /nfs/dbraw/zinc/08/53/73/1388085373.db2.gz HYIZFCRDAXRBKP-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cnc3cc(Br)ccc3c2)C[C@H]1C[NH3+] ZINC001205155658 1370665144 /nfs/dbraw/zinc/66/51/44/1370665144.db2.gz ASEDIYWUGGVHGI-SMDDNHRTSA-N 2 1 334.261 3.024 20 0 EGADMP C[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001205164411 1370667521 /nfs/dbraw/zinc/66/75/21/1370667521.db2.gz FPFKINDSBPXQSR-SFHVURJKSA-N 2 1 335.495 3.211 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001205219470 1370685292 /nfs/dbraw/zinc/68/52/92/1370685292.db2.gz DPNHEVINBKMRMI-CQSZACIVSA-N 2 1 336.785 3.035 20 0 EGADMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@@](O)(C[NH3+])CC3)cc2)cc1 ZINC001205221353 1370686072 /nfs/dbraw/zinc/68/60/72/1370686072.db2.gz SKTJUYOJUBDYGL-NRFANRHFSA-N 2 1 340.467 3.038 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273133 1370702507 /nfs/dbraw/zinc/70/25/07/1370702507.db2.gz FPMUALHEOSEEQP-HXUWFJFHSA-N 2 1 343.471 3.356 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273133 1370702512 /nfs/dbraw/zinc/70/25/12/1370702512.db2.gz FPMUALHEOSEEQP-HXUWFJFHSA-N 2 1 343.471 3.356 20 0 EGADMP C[C@H]1CC[N@@H+](CCCc2ccccc2Br)C[C@H]1C[NH3+] ZINC001205296376 1370711251 /nfs/dbraw/zinc/71/12/51/1370711251.db2.gz NUUPXMZAVYXHIM-DZGCQCFKSA-N 2 1 325.294 3.298 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CCC(C)(C)C)CCCCC2)C1 ZINC001115729855 1370711902 /nfs/dbraw/zinc/71/19/02/1370711902.db2.gz VKILTLULIVDQAD-QGZVFWFLSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@H]1CC[N@H+](Cc2c[nH]c3c2cccc3Br)C[C@H]1C[NH3+] ZINC001205305942 1370714875 /nfs/dbraw/zinc/71/48/75/1370714875.db2.gz UQIKKZDATNEDMB-NWDGAFQWSA-N 2 1 336.277 3.347 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3Br)C[C@H]1C[NH3+] ZINC001205305942 1370714878 /nfs/dbraw/zinc/71/48/78/1370714878.db2.gz UQIKKZDATNEDMB-NWDGAFQWSA-N 2 1 336.277 3.347 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc3cc(Br)cnc3c2)C[C@H]1C[NH3+] ZINC001205319352 1370721222 /nfs/dbraw/zinc/72/12/22/1370721222.db2.gz ZGMHIQSNYXOFHN-IUODEOHRSA-N 2 1 348.288 3.414 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(C[NH2+]CCC(C)C)CC1 ZINC001205340063 1370725864 /nfs/dbraw/zinc/72/58/64/1370725864.db2.gz QKOMYNCYIDCQSX-QGZVFWFLSA-N 2 1 348.535 3.271 20 0 EGADMP c1ccc([C@H]2CC[N@H+](Cc3cccc(CN4CC[NH2+]CC4)c3)C2)cc1 ZINC001205339410 1370725995 /nfs/dbraw/zinc/72/59/95/1370725995.db2.gz INKJBFIWECLAND-QFIPXVFZSA-N 2 1 335.495 3.081 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001187307162 1388091869 /nfs/dbraw/zinc/09/18/69/1388091869.db2.gz XHRAXNNTJACCCQ-RBUKOAKNSA-N 2 1 345.531 3.287 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001205483644 1370769466 /nfs/dbraw/zinc/76/94/66/1370769466.db2.gz LHKLIYHNEONWRN-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](CCc2ccc(Br)cc2)CC1 ZINC001205538890 1370784947 /nfs/dbraw/zinc/78/49/47/1370784947.db2.gz QWDLBGMCFHAYKM-HNNXBMFYSA-N 2 1 329.257 3.145 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115806326 1370789995 /nfs/dbraw/zinc/78/99/95/1370789995.db2.gz SVVTYASAAXCDRB-UHFFFAOYSA-N 2 1 325.541 3.173 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cccc(Br)c2F)CC1 ZINC001205558118 1370791274 /nfs/dbraw/zinc/79/12/74/1370791274.db2.gz BXALCXXJIAJPQA-CQSZACIVSA-N 2 1 333.220 3.241 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc(Br)c2F)CC1 ZINC001205558118 1370791277 /nfs/dbraw/zinc/79/12/77/1370791277.db2.gz BXALCXXJIAJPQA-CQSZACIVSA-N 2 1 333.220 3.241 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CC1 ZINC001205592093 1370803501 /nfs/dbraw/zinc/80/35/01/1370803501.db2.gz QYFZSVQZKCSNCQ-QGZVFWFLSA-N 2 1 337.826 3.247 20 0 EGADMP CCSc1ncc2cccc(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)n21 ZINC001205591770 1370804175 /nfs/dbraw/zinc/80/41/75/1370804175.db2.gz PCBJBWHKNUXOPJ-KRWDZBQOSA-N 2 1 336.480 3.099 20 0 EGADMP C[C@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1C[NH3+] ZINC001205602634 1370807619 /nfs/dbraw/zinc/80/76/19/1370807619.db2.gz KSQSMCUKLNXVBE-RXVVDRJESA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC[C@H]1C[NH3+] ZINC001205616550 1370811743 /nfs/dbraw/zinc/81/17/43/1370811743.db2.gz GDGQYKLTHFGTOL-NEPJUHHUSA-N 2 1 340.393 3.389 20 0 EGADMP COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1OC ZINC001205618611 1370813453 /nfs/dbraw/zinc/81/34/53/1370813453.db2.gz XQROGNJFRAYPAT-OLZOCXBDSA-N 2 1 326.868 3.164 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cnc(Br)cc2Cl)CC[C@H]1C[NH3+] ZINC001205625581 1370816089 /nfs/dbraw/zinc/81/60/89/1370816089.db2.gz BMXGPSVYNSIICF-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cnc(Br)cc2Cl)CC[C@H]1C[NH3+] ZINC001205625581 1370816097 /nfs/dbraw/zinc/81/60/97/1370816097.db2.gz BMXGPSVYNSIICF-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cnc(Cl)cc2Br)CC[C@H]1C[NH3+] ZINC001205638065 1370822000 /nfs/dbraw/zinc/82/20/00/1370822000.db2.gz KWMRHGSIAJYQIW-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cnc(Cl)cc2Br)CC[C@H]1C[NH3+] ZINC001205638065 1370822003 /nfs/dbraw/zinc/82/20/03/1370822003.db2.gz KWMRHGSIAJYQIW-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2c(Br)ccnc2Cl)CC[C@@H]1C[NH3+] ZINC001205639252 1370823323 /nfs/dbraw/zinc/82/33/23/1370823323.db2.gz YBHAPGITXNZPLO-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c(Br)ccnc2Cl)CC[C@@H]1C[NH3+] ZINC001205639252 1370823327 /nfs/dbraw/zinc/82/33/27/1370823327.db2.gz YBHAPGITXNZPLO-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2Oc2cnccn2)CC[C@@H]1C[NH3+] ZINC001205651112 1370827959 /nfs/dbraw/zinc/82/79/59/1370827959.db2.gz AFUKQMZFZGHXOW-JKSUJKDBSA-N 2 1 326.444 3.076 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)CC[C@@H]1C[NH3+] ZINC001205652683 1370828204 /nfs/dbraw/zinc/82/82/04/1370828204.db2.gz QQBCYVDWPCRXTP-VHSXEESVSA-N 2 1 342.274 3.023 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2c(Cl)cncc2Br)CC[C@@H]1C[NH3+] ZINC001205653803 1370830041 /nfs/dbraw/zinc/83/00/41/1370830041.db2.gz VSMUQOMDVDZFNF-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c(Cl)cncc2Br)CC[C@@H]1C[NH3+] ZINC001205653803 1370830045 /nfs/dbraw/zinc/83/00/45/1370830045.db2.gz VSMUQOMDVDZFNF-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccccc2Oc2ccc(F)cc2)C1 ZINC001205681490 1370841195 /nfs/dbraw/zinc/84/11/95/1370841195.db2.gz KGRLDRYWJDIRGS-HXUWFJFHSA-N 2 1 344.430 3.294 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)C1 ZINC001205725460 1370852276 /nfs/dbraw/zinc/85/22/76/1370852276.db2.gz HXEOJOOBZJAEDD-HXUWFJFHSA-N 2 1 346.421 3.308 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCCc2cccc(Br)c2)CCC1(F)F ZINC001205734263 1370854490 /nfs/dbraw/zinc/85/44/90/1370854490.db2.gz CWAWFZNSTHVNTQ-ZDUSSCGKSA-N 2 1 347.247 3.298 20 0 EGADMP COc1ccc(-c2ccncc2)c(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205795165 1370873760 /nfs/dbraw/zinc/87/37/60/1370873760.db2.gz CZZNORHYQBUTBZ-INIZCTEOSA-N 2 1 347.409 3.173 20 0 EGADMP COc1ccc(-c2ccncc2)c(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205795165 1370873767 /nfs/dbraw/zinc/87/37/67/1370873767.db2.gz CZZNORHYQBUTBZ-INIZCTEOSA-N 2 1 347.409 3.173 20 0 EGADMP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205795667 1370874397 /nfs/dbraw/zinc/87/43/97/1370874397.db2.gz KCFWADQEPAYNDC-QGZVFWFLSA-N 2 1 331.410 3.473 20 0 EGADMP Cc1cnc(-c2ccccc2)c(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205795667 1370874401 /nfs/dbraw/zinc/87/44/01/1370874401.db2.gz KCFWADQEPAYNDC-QGZVFWFLSA-N 2 1 331.410 3.473 20 0 EGADMP c1cc(Nc2ccc(C3([NH+]4CCOCC4)CC3)cc2)c2c([nH+]1)CCC2 ZINC001205798480 1370875432 /nfs/dbraw/zinc/87/54/32/1370875432.db2.gz LDDSVOPKYXAWDR-UHFFFAOYSA-N 2 1 335.451 3.057 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)n(C)n1 ZINC001205896920 1370903286 /nfs/dbraw/zinc/90/32/86/1370903286.db2.gz JUNIMHVZNJESQS-UHFFFAOYSA-N 2 1 344.528 3.278 20 0 EGADMP CC[N@H+]1CC[C@H](NCc2cc(Cl)c(OC)c(OC)c2)[C@@H](C)C1 ZINC001116480737 1370921464 /nfs/dbraw/zinc/92/14/64/1370921464.db2.gz QHYKYVRCOOKPNG-WFASDCNBSA-N 2 1 326.868 3.177 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)[C@@H](C)C1 ZINC001116480737 1370921473 /nfs/dbraw/zinc/92/14/73/1370921473.db2.gz QHYKYVRCOOKPNG-WFASDCNBSA-N 2 1 326.868 3.177 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC001116482026 1370922465 /nfs/dbraw/zinc/92/24/65/1370922465.db2.gz BMKWZKXISGBPDJ-AWEZNQCLSA-N 2 1 347.532 3.373 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001205985312 1370929914 /nfs/dbraw/zinc/92/99/14/1370929914.db2.gz XBAXOVPOHCJRSH-LPHOPBHVSA-N 2 1 332.488 3.103 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206027299 1370941976 /nfs/dbraw/zinc/94/19/76/1370941976.db2.gz VUWJIZUTDMVLED-GJZGRUSLSA-N 2 1 332.879 3.333 20 0 EGADMP COc1ccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc1C(C)(C)C ZINC001206136577 1370968666 /nfs/dbraw/zinc/96/86/66/1370968666.db2.gz UTOUBTOOMMMWIW-UHFFFAOYSA-N 2 1 349.563 3.308 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001206274577 1371010249 /nfs/dbraw/zinc/01/02/49/1371010249.db2.gz JVBGDYACDQGVOL-GOSISDBHSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001206308006 1371016797 /nfs/dbraw/zinc/01/67/97/1371016797.db2.gz TZWDIIQZUXUWNY-UHFFFAOYSA-N 2 1 339.568 3.229 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1OC(=O)C(C)C ZINC001206317519 1371019691 /nfs/dbraw/zinc/01/96/91/1371019691.db2.gz GNKRZVBZZLEAKM-HXUWFJFHSA-N 2 1 348.487 3.208 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ncc1Br ZINC001206318276 1371020355 /nfs/dbraw/zinc/02/03/55/1371020355.db2.gz OXMJZXIQGAONKP-OAHLLOKOSA-N 2 1 326.282 3.103 20 0 EGADMP Cc1[nH+]ccn1-c1ncccc1CNc1c(C)c[nH+]c2ccccc21 ZINC001117688797 1371064466 /nfs/dbraw/zinc/06/44/66/1371064466.db2.gz XPPIURVNXNZRTQ-UHFFFAOYSA-N 2 1 329.407 3.466 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206481378 1371067960 /nfs/dbraw/zinc/06/79/60/1371067960.db2.gz GUBALXZAESFHHY-PRPIBZDOSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206487892 1371070049 /nfs/dbraw/zinc/07/00/49/1371070049.db2.gz MIKNMKMBZYZSGY-IBGZPJMESA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206487286 1371070242 /nfs/dbraw/zinc/07/02/42/1371070242.db2.gz BNWZWOZPMCLHBE-IBGZPJMESA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)(C)C(=O)Nc1cnccc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206550156 1371091573 /nfs/dbraw/zinc/09/15/73/1371091573.db2.gz WOPFMQVYYMBHFM-LJQANCHMSA-N 2 1 332.492 3.017 20 0 EGADMP CC(C)(C)C(=O)Nc1cnccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206550156 1371091574 /nfs/dbraw/zinc/09/15/74/1371091574.db2.gz WOPFMQVYYMBHFM-LJQANCHMSA-N 2 1 332.492 3.017 20 0 EGADMP COc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc2c1OCC=C2 ZINC001206606521 1371107911 /nfs/dbraw/zinc/10/79/11/1371107911.db2.gz NZWWZJPCUALUFO-GOSISDBHSA-N 2 1 330.472 3.453 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206615084 1371109199 /nfs/dbraw/zinc/10/91/99/1371109199.db2.gz BMALYLACOYHDTH-LJQANCHMSA-N 2 1 326.488 3.109 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cccnc2OCc2ccccc2)C1 ZINC001206648015 1371118194 /nfs/dbraw/zinc/11/81/94/1371118194.db2.gz KYUXJCGNUTXFEO-GOSISDBHSA-N 2 1 325.456 3.221 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccnc2OCc2ccccc2)C1 ZINC001206648015 1371118197 /nfs/dbraw/zinc/11/81/97/1371118197.db2.gz KYUXJCGNUTXFEO-GOSISDBHSA-N 2 1 325.456 3.221 20 0 EGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001206772229 1371160393 /nfs/dbraw/zinc/16/03/93/1371160393.db2.gz ZJXGVOIACGAUTD-VXGBXAGGSA-N 2 1 336.277 3.490 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206809631 1371176276 /nfs/dbraw/zinc/17/62/76/1371176276.db2.gz LZJVUDCCWOBEIR-HZPDHXFCSA-N 2 1 325.456 3.316 20 0 EGADMP COc1cc(OC)c(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c2ccccc12 ZINC001206810807 1371176634 /nfs/dbraw/zinc/17/66/34/1371176634.db2.gz PSPOOLWZRPDOEC-GJZGRUSLSA-N 2 1 328.456 3.416 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]CCC3CCCCC3)CC2)C1 ZINC001206872955 1371199221 /nfs/dbraw/zinc/19/92/21/1371199221.db2.gz ZSOWODIXTVRWAB-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1(CNc2nccnc2C[NH3+])CCCCC1 ZINC001187534984 1388122515 /nfs/dbraw/zinc/12/25/15/1388122515.db2.gz YSDFQEJYKVSOMY-UHFFFAOYSA-N 2 1 339.487 3.182 20 0 EGADMP c1[nH+]c(CN2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)n2ccccc12 ZINC001207052843 1371278766 /nfs/dbraw/zinc/27/87/66/1371278766.db2.gz FRNPSMDEAYEVDL-ICSRJNTNSA-N 2 1 332.451 3.041 20 0 EGADMP c1[nH+]c(CN2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)n2ccccc12 ZINC001207052843 1371278769 /nfs/dbraw/zinc/27/87/69/1371278769.db2.gz FRNPSMDEAYEVDL-ICSRJNTNSA-N 2 1 332.451 3.041 20 0 EGADMP C[NH2+][C@H](C)Cc1noc([C@H]2CCCC[N@@H+]2Cc2cccc(C)c2)n1 ZINC001326209321 1388127799 /nfs/dbraw/zinc/12/77/99/1388127799.db2.gz SROUGPHROFXFCA-NVXWUHKLSA-N 2 1 328.460 3.256 20 0 EGADMP C[NH2+][C@H](C)Cc1noc([C@H]2CCCC[N@H+]2Cc2cccc(C)c2)n1 ZINC001326209321 1388127804 /nfs/dbraw/zinc/12/78/04/1388127804.db2.gz SROUGPHROFXFCA-NVXWUHKLSA-N 2 1 328.460 3.256 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](CCOCc3ccccc3)C2)C1 ZINC001207230936 1371335687 /nfs/dbraw/zinc/33/56/87/1371335687.db2.gz IVTCOOHHDULXDC-NRFANRHFSA-N 2 1 346.515 3.026 20 0 EGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](CCOCc3ccccc3)C2)C1 ZINC001207230936 1371335690 /nfs/dbraw/zinc/33/56/90/1371335690.db2.gz IVTCOOHHDULXDC-NRFANRHFSA-N 2 1 346.515 3.026 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](CCOCc3ccccc3)C2)C1 ZINC001207230936 1371335696 /nfs/dbraw/zinc/33/56/96/1371335696.db2.gz IVTCOOHHDULXDC-NRFANRHFSA-N 2 1 346.515 3.026 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](CCOCc3ccccc3)C2)C1 ZINC001207230936 1371335700 /nfs/dbraw/zinc/33/57/00/1371335700.db2.gz IVTCOOHHDULXDC-NRFANRHFSA-N 2 1 346.515 3.026 20 0 EGADMP C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207278930 1371348910 /nfs/dbraw/zinc/34/89/10/1371348910.db2.gz HDZYVAMSLJIGLE-JKSUJKDBSA-N 2 1 341.540 3.199 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207283592 1371350697 /nfs/dbraw/zinc/35/06/97/1371350697.db2.gz AUVKKVPGPFVXJV-LEWJYISDSA-N 3 1 343.559 3.418 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207283592 1371350699 /nfs/dbraw/zinc/35/06/99/1371350699.db2.gz AUVKKVPGPFVXJV-LEWJYISDSA-N 3 1 343.559 3.418 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207283592 1371350704 /nfs/dbraw/zinc/35/07/04/1371350704.db2.gz AUVKKVPGPFVXJV-LEWJYISDSA-N 3 1 343.559 3.418 20 0 EGADMP CN(C)CC(C)(C)C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207283592 1371350706 /nfs/dbraw/zinc/35/07/06/1371350706.db2.gz AUVKKVPGPFVXJV-LEWJYISDSA-N 2 1 343.559 3.418 20 0 EGADMP CN(C)CC(C)(C)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207283592 1371350710 /nfs/dbraw/zinc/35/07/10/1371350710.db2.gz AUVKKVPGPFVXJV-LEWJYISDSA-N 2 1 343.559 3.418 20 0 EGADMP CN(C)CC(C)(C)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207283592 1371350713 /nfs/dbraw/zinc/35/07/13/1371350713.db2.gz AUVKKVPGPFVXJV-LEWJYISDSA-N 2 1 343.559 3.418 20 0 EGADMP CN(C)CC(C)(C)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001207283592 1371350717 /nfs/dbraw/zinc/35/07/17/1371350717.db2.gz AUVKKVPGPFVXJV-LEWJYISDSA-N 2 1 343.559 3.418 20 0 EGADMP COC(=O)C[C@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207292116 1371352559 /nfs/dbraw/zinc/35/25/59/1371352559.db2.gz JZMHWHBCQMSFFN-HXUWFJFHSA-N 2 1 344.499 3.174 20 0 EGADMP CC(C)N(C)[C@@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293672 1371354139 /nfs/dbraw/zinc/35/41/39/1371354139.db2.gz JLRSGKQOQYBMFT-OAQYLSRUSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[N@H+](C)[C@@H]1CCN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293672 1371354144 /nfs/dbraw/zinc/35/41/44/1371354144.db2.gz JLRSGKQOQYBMFT-OAQYLSRUSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[N@@H+](C)[C@@H]1CCN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293672 1371354150 /nfs/dbraw/zinc/35/41/50/1371354150.db2.gz JLRSGKQOQYBMFT-OAQYLSRUSA-N 2 1 329.532 3.313 20 0 EGADMP C[NH+]1CCC(C[NH+]2CC(Oc3ccccc3C(F)(F)F)C2)CC1 ZINC001207398444 1371384571 /nfs/dbraw/zinc/38/45/71/1371384571.db2.gz QJSRDZMSVRMDLS-UHFFFAOYSA-N 2 1 328.378 3.110 20 0 EGADMP CC(C)[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207401694 1371385733 /nfs/dbraw/zinc/38/57/33/1371385733.db2.gz RKFDDHLZPQXAEI-QGZVFWFLSA-N 2 1 339.524 3.048 20 0 EGADMP COc1ccc(CC[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001207474620 1371406523 /nfs/dbraw/zinc/40/65/23/1371406523.db2.gz SOZOTDIERUEQHP-ROUUACIJSA-N 2 1 342.508 3.363 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1([NH2+]CCCCCF)CCCCC1 ZINC001120041492 1371467414 /nfs/dbraw/zinc/46/74/14/1371467414.db2.gz SUIWQWVZLHUDQV-UHFFFAOYSA-N 2 1 343.531 3.267 20 0 EGADMP CC1(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CCOCC1 ZINC001207968051 1371554288 /nfs/dbraw/zinc/55/42/88/1371554288.db2.gz BGFVNDHWPWXAFP-UHFFFAOYSA-N 2 1 332.488 3.384 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001120391781 1371557885 /nfs/dbraw/zinc/55/78/85/1371557885.db2.gz GYDBSWPVELSTPF-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001120391781 1371557888 /nfs/dbraw/zinc/55/78/88/1371557888.db2.gz GYDBSWPVELSTPF-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001120391781 1371557893 /nfs/dbraw/zinc/55/78/93/1371557893.db2.gz GYDBSWPVELSTPF-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120431261 1371573580 /nfs/dbraw/zinc/57/35/80/1371573580.db2.gz QXJPJPJTTGSAHV-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120439652 1371577441 /nfs/dbraw/zinc/57/74/41/1371577441.db2.gz HTFIDKVQGPWXML-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120439652 1371577444 /nfs/dbraw/zinc/57/74/44/1371577444.db2.gz HTFIDKVQGPWXML-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001120439652 1371577446 /nfs/dbraw/zinc/57/74/46/1371577446.db2.gz HTFIDKVQGPWXML-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208049696 1371580115 /nfs/dbraw/zinc/58/01/15/1371580115.db2.gz QABIOFVYJZWPTK-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208049697 1371580631 /nfs/dbraw/zinc/58/06/31/1371580631.db2.gz QABIOFVYJZWPTK-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120450190 1371581016 /nfs/dbraw/zinc/58/10/16/1371581016.db2.gz SZPDPKJOLBWOOF-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001120450190 1371581020 /nfs/dbraw/zinc/58/10/20/1371581020.db2.gz SZPDPKJOLBWOOF-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001120450190 1371581024 /nfs/dbraw/zinc/58/10/24/1371581024.db2.gz SZPDPKJOLBWOOF-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120468127 1371587010 /nfs/dbraw/zinc/58/70/10/1371587010.db2.gz BYXSRJSZDOSPCH-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120468127 1371587013 /nfs/dbraw/zinc/58/70/13/1371587013.db2.gz BYXSRJSZDOSPCH-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120468127 1371587016 /nfs/dbraw/zinc/58/70/16/1371587016.db2.gz BYXSRJSZDOSPCH-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001208074616 1371588498 /nfs/dbraw/zinc/58/84/98/1371588498.db2.gz ZSLFPJBMBIQABG-DLBZAZTESA-N 2 1 334.508 3.167 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208091864 1371594495 /nfs/dbraw/zinc/59/44/95/1371594495.db2.gz DEIVLNBKAWZHPB-YLJYHZDGSA-N 2 1 345.531 3.031 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001208108052 1371596465 /nfs/dbraw/zinc/59/64/65/1371596465.db2.gz OMRODHBBUFNOJB-MRXNPFEDSA-N 2 1 339.524 3.098 20 0 EGADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2CC2(C)CC[NH+](C)CC2)c1 ZINC001208115167 1371599239 /nfs/dbraw/zinc/59/92/39/1371599239.db2.gz GAXHHIYJNLCUNU-GOSISDBHSA-N 2 1 330.472 3.342 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208114308 1371599952 /nfs/dbraw/zinc/59/99/52/1371599952.db2.gz NBQHTKNXEOCEHW-LXORQPIJSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@H]1CN(CC2(C[NH+](C)C)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001208187139 1371625829 /nfs/dbraw/zinc/62/58/29/1371625829.db2.gz HGVRKFMALYGKHN-IBGZPJMESA-N 2 1 329.532 3.315 20 0 EGADMP C[NH+](C)CC1(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC001208188144 1371625985 /nfs/dbraw/zinc/62/59/85/1371625985.db2.gz UHSNWQBTCUTSTI-LEWJYISDSA-N 2 1 341.543 3.315 20 0 EGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](CC[C@H](C)CCCC(C)(C)OC)C[C@@H]2C1 ZINC001208205790 1371647546 /nfs/dbraw/zinc/64/75/46/1371647546.db2.gz LEJTZHYVLNFCJI-CEXWTWQISA-N 2 1 340.552 3.260 20 0 EGADMP CC[N@H+]1CCO[C@@H]2C[NH+](CC[C@H](C)CCCC(C)(C)OC)C[C@@H]2C1 ZINC001208205790 1371647549 /nfs/dbraw/zinc/64/75/49/1371647549.db2.gz LEJTZHYVLNFCJI-CEXWTWQISA-N 2 1 340.552 3.260 20 0 EGADMP CC[NH+]1CCO[C@@H]2C[N@H+](CC[C@H](C)CCCC(C)(C)OC)C[C@@H]2C1 ZINC001208205790 1371647554 /nfs/dbraw/zinc/64/75/54/1371647554.db2.gz LEJTZHYVLNFCJI-CEXWTWQISA-N 2 1 340.552 3.260 20 0 EGADMP CC[NH+]1CCO[C@@H]2C[N@@H+](CC[C@H](C)CCCC(C)(C)OC)C[C@@H]2C1 ZINC001208205790 1371647556 /nfs/dbraw/zinc/64/75/56/1371647556.db2.gz LEJTZHYVLNFCJI-CEXWTWQISA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208331406 1371720378 /nfs/dbraw/zinc/72/03/78/1371720378.db2.gz RPRJCDVSVDFGMW-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001208331195 1371720599 /nfs/dbraw/zinc/72/05/99/1371720599.db2.gz NIFXRQOLEOCABB-SLVIYJBESA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001208358696 1371732856 /nfs/dbraw/zinc/73/28/56/1371732856.db2.gz LZEONEUNWVTETH-ASIGSXEYSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001208453310 1371771693 /nfs/dbraw/zinc/77/16/93/1371771693.db2.gz DOHIQTHQNCMTCJ-ZWKOTPCHSA-N 2 1 345.531 3.367 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CC[NH+]3CCCC[C@@H]3C2)cc1 ZINC001208589604 1371830086 /nfs/dbraw/zinc/83/00/86/1371830086.db2.gz WSICFPKZLPFHRQ-NHCUHLMSSA-N 2 1 327.516 3.211 20 0 EGADMP c1ccc(C[NH+]2CCCC[C@@H]2CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC001208589604 1371830092 /nfs/dbraw/zinc/83/00/92/1371830092.db2.gz WSICFPKZLPFHRQ-NHCUHLMSSA-N 2 1 327.516 3.211 20 0 EGADMP c1ccc(C[NH+]2CCCC[C@@H]2CN2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC001208589604 1371830096 /nfs/dbraw/zinc/83/00/96/1371830096.db2.gz WSICFPKZLPFHRQ-NHCUHLMSSA-N 2 1 327.516 3.211 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC001208598741 1371835205 /nfs/dbraw/zinc/83/52/05/1371835205.db2.gz WZGKPGVKOCQJDK-NVXWUHKLSA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001208597687 1371835280 /nfs/dbraw/zinc/83/52/80/1371835280.db2.gz KUNUEGXUCWENJP-JOCHJYFZSA-N 3 1 341.543 3.316 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208597687 1371835284 /nfs/dbraw/zinc/83/52/84/1371835284.db2.gz KUNUEGXUCWENJP-JOCHJYFZSA-N 3 1 341.543 3.316 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208597687 1371835289 /nfs/dbraw/zinc/83/52/89/1371835289.db2.gz KUNUEGXUCWENJP-JOCHJYFZSA-N 3 1 341.543 3.316 20 0 EGADMP CC[NH+]1CCC(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001208597687 1371835294 /nfs/dbraw/zinc/83/52/94/1371835294.db2.gz KUNUEGXUCWENJP-JOCHJYFZSA-N 2 1 341.543 3.316 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001208597687 1371835299 /nfs/dbraw/zinc/83/52/99/1371835299.db2.gz KUNUEGXUCWENJP-JOCHJYFZSA-N 2 1 341.543 3.316 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CCN([C@H]3CCCc4ccccc43)CC2)CC1 ZINC001208601001 1371836322 /nfs/dbraw/zinc/83/63/22/1371836322.db2.gz IZTBXQWSUHEWPX-QFIPXVFZSA-N 2 1 341.543 3.414 20 0 EGADMP CCC(=O)N(c1ccccc1)C1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208603305 1371837500 /nfs/dbraw/zinc/83/75/00/1371837500.db2.gz AWAUCHWOCZPSNT-SFHVURJKSA-N 2 1 343.515 3.236 20 0 EGADMP CCOC(=O)CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208612834 1371840144 /nfs/dbraw/zinc/84/01/44/1371840144.db2.gz FBQKWJHLJWJBOG-LJQANCHMSA-N 2 1 332.488 3.174 20 0 EGADMP CCOC(=O)CCC[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208612834 1371840150 /nfs/dbraw/zinc/84/01/50/1371840150.db2.gz FBQKWJHLJWJBOG-LJQANCHMSA-N 2 1 332.488 3.174 20 0 EGADMP CCOC(=O)CCC[NH+](Cc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208612834 1371840154 /nfs/dbraw/zinc/84/01/54/1371840154.db2.gz FBQKWJHLJWJBOG-LJQANCHMSA-N 2 1 332.488 3.174 20 0 EGADMP CCOC(=O)CCC[NH+](Cc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208612834 1371840157 /nfs/dbraw/zinc/84/01/57/1371840157.db2.gz FBQKWJHLJWJBOG-LJQANCHMSA-N 2 1 332.488 3.174 20 0 EGADMP C[N@H+]1CCC[C@H](CN2CCC[C@]3(CC[NH+]3Cc3cccc(F)c3)C2)C1 ZINC001208609909 1371840209 /nfs/dbraw/zinc/84/02/09/1371840209.db2.gz XMGHONARGUQFOW-FPOVZHCZSA-N 2 1 345.506 3.208 20 0 EGADMP C[NH+]1CCC[C@H](CN2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)C1 ZINC001208609909 1371840214 /nfs/dbraw/zinc/84/02/14/1371840214.db2.gz XMGHONARGUQFOW-FPOVZHCZSA-N 2 1 345.506 3.208 20 0 EGADMP C[NH+]1CCC[C@H](CN2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)C1 ZINC001208609909 1371840218 /nfs/dbraw/zinc/84/02/18/1371840218.db2.gz XMGHONARGUQFOW-FPOVZHCZSA-N 2 1 345.506 3.208 20 0 EGADMP Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001208617279 1371843663 /nfs/dbraw/zinc/84/36/63/1371843663.db2.gz OPQPBBBSDOUGCX-AKHDSKFASA-N 2 1 345.535 3.220 20 0 EGADMP Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001208617279 1371843666 /nfs/dbraw/zinc/84/36/66/1371843666.db2.gz OPQPBBBSDOUGCX-AKHDSKFASA-N 2 1 345.535 3.220 20 0 EGADMP Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC[N@H+](C)C1 ZINC001208617279 1371843670 /nfs/dbraw/zinc/84/36/70/1371843670.db2.gz OPQPBBBSDOUGCX-AKHDSKFASA-N 2 1 345.535 3.220 20 0 EGADMP Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC[N@@H+](C)C1 ZINC001208617279 1371843675 /nfs/dbraw/zinc/84/36/75/1371843675.db2.gz OPQPBBBSDOUGCX-AKHDSKFASA-N 2 1 345.535 3.220 20 0 EGADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CCC1CC1)CC2 ZINC001208681444 1371859523 /nfs/dbraw/zinc/85/95/23/1371859523.db2.gz WOVVMFCHAYOEFA-HXUWFJFHSA-N 2 1 343.515 3.185 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208771219 1371891798 /nfs/dbraw/zinc/89/17/98/1371891798.db2.gz XIHZDILDONHZBD-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](CCCc2ccccc2OC)CC1 ZINC001208839781 1371912169 /nfs/dbraw/zinc/91/21/69/1371912169.db2.gz ZBGMMBNZIXHQPM-HXUWFJFHSA-N 2 1 346.515 3.203 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](CCCc2ccccc2OC)CC1 ZINC001208839781 1371912174 /nfs/dbraw/zinc/91/21/74/1371912174.db2.gz ZBGMMBNZIXHQPM-HXUWFJFHSA-N 2 1 346.515 3.203 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)C1 ZINC001121288317 1371923070 /nfs/dbraw/zinc/92/30/70/1371923070.db2.gz CFNXMXVIACHLHU-GRFHQPFKSA-N 2 1 347.547 3.211 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C4CCC4)CC3)C2)cc1 ZINC001208931476 1371950184 /nfs/dbraw/zinc/95/01/84/1371950184.db2.gz KNOSDWUCAAPWCC-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+]4CCCC[C@@H]4C3)C2)cc1 ZINC001208936199 1371952289 /nfs/dbraw/zinc/95/22/89/1371952289.db2.gz MMPSSTAXOXICBK-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](CN3CC[N@@H+]4CCCC[C@@H]4C3)C2)cc1 ZINC001208936199 1371952293 /nfs/dbraw/zinc/95/22/93/1371952293.db2.gz MMPSSTAXOXICBK-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](CN3CC[N@H+]4CCCC[C@@H]4C3)C2)cc1 ZINC001208936199 1371952296 /nfs/dbraw/zinc/95/22/96/1371952296.db2.gz MMPSSTAXOXICBK-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP Cc1nc([C@@H]2CCC[N@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)no1 ZINC001208940412 1371953596 /nfs/dbraw/zinc/95/35/96/1371953596.db2.gz CUSNONQAPYHTAP-RBUKOAKNSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nc([C@@H]2CCC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)no1 ZINC001208940412 1371953600 /nfs/dbraw/zinc/95/36/00/1371953600.db2.gz CUSNONQAPYHTAP-RBUKOAKNSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nc([C@@H]2CCC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)no1 ZINC001208940412 1371953605 /nfs/dbraw/zinc/95/36/05/1371953605.db2.gz CUSNONQAPYHTAP-RBUKOAKNSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nc([C@@H]2CCC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)no1 ZINC001208940412 1371953609 /nfs/dbraw/zinc/95/36/09/1371953609.db2.gz CUSNONQAPYHTAP-RBUKOAKNSA-N 2 1 340.471 3.080 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC4(CCOCC4)CC3)C2)cc1 ZINC001208952543 1371959804 /nfs/dbraw/zinc/95/98/04/1371959804.db2.gz KJOFGZJTTMGSMW-HXUWFJFHSA-N 2 1 328.500 3.401 20 0 EGADMP CC[NH+](CC)C1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208949716 1371961494 /nfs/dbraw/zinc/96/14/94/1371961494.db2.gz ODAAUNHIJCLXIB-FQEVSTJZSA-N 2 1 329.532 3.315 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCC4(CCCOC4)CC3)C2)cc1 ZINC001208959569 1371961570 /nfs/dbraw/zinc/96/15/70/1371961570.db2.gz SNFZIESAOTWKRE-FQEVSTJZSA-N 2 1 328.500 3.401 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](CCc2cc(F)cc(F)c2)CC1 ZINC001209131086 1372008168 /nfs/dbraw/zinc/00/81/68/1372008168.db2.gz YVDKLLJLCZHKND-UHFFFAOYSA-N 2 1 331.410 3.450 20 0 EGADMP C[NH+](C)CCC[N@@H+](C)CC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001209166354 1372020449 /nfs/dbraw/zinc/02/04/49/1372020449.db2.gz ZBOVNKTYIQGDEQ-INIZCTEOSA-N 2 1 327.513 3.050 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3CC[NH+](CCCc4ccncc4)C[C@H]3C2)cc1 ZINC001209189273 1372032562 /nfs/dbraw/zinc/03/25/62/1372032562.db2.gz IOTBEWQOIFEFTR-YADHBBJMSA-N 2 1 335.495 3.468 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CC[NH+](CCCc4ccncc4)C[C@H]3C2)cc1 ZINC001209189273 1372032565 /nfs/dbraw/zinc/03/25/65/1372032565.db2.gz IOTBEWQOIFEFTR-YADHBBJMSA-N 2 1 335.495 3.468 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]CC(CC)CC)C2)C1 ZINC001209205702 1372038014 /nfs/dbraw/zinc/03/80/14/1372038014.db2.gz RGHMVVBZYOIAKQ-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP COCCCC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001209216783 1372040229 /nfs/dbraw/zinc/04/02/29/1372040229.db2.gz SSVKUNGLEXGXAL-UHFFFAOYSA-N 2 1 346.515 3.088 20 0 EGADMP COCC[N@@H+](CCc1ccccc1C(F)(F)F)C1CCN(C)CC1 ZINC001209284470 1372057113 /nfs/dbraw/zinc/05/71/13/1372057113.db2.gz HKEJWBIUFXGGOB-UHFFFAOYSA-N 2 1 344.421 3.291 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001121767566 1372075019 /nfs/dbraw/zinc/07/50/19/1372075019.db2.gz HLCDSLCSSQUEIW-XKZCYDSASA-N 2 1 347.547 3.234 20 0 EGADMP COC(C)(C)CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209408125 1372097415 /nfs/dbraw/zinc/09/74/15/1372097415.db2.gz ZDFHZQGCQHLJFE-YSIASYRMSA-N 2 1 345.531 3.429 20 0 EGADMP COC(C)(C)CC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209408125 1372097418 /nfs/dbraw/zinc/09/74/18/1372097418.db2.gz ZDFHZQGCQHLJFE-YSIASYRMSA-N 2 1 345.531 3.429 20 0 EGADMP COC(C)(C)CC[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209408125 1372097422 /nfs/dbraw/zinc/09/74/22/1372097422.db2.gz ZDFHZQGCQHLJFE-YSIASYRMSA-N 2 1 345.531 3.429 20 0 EGADMP COC(C)(C)CC[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209408125 1372097425 /nfs/dbraw/zinc/09/74/25/1372097425.db2.gz ZDFHZQGCQHLJFE-YSIASYRMSA-N 2 1 345.531 3.429 20 0 EGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC001209453049 1372110582 /nfs/dbraw/zinc/11/05/82/1372110582.db2.gz DXWYVGIXVSZWFL-GOSISDBHSA-N 2 1 333.495 3.380 20 0 EGADMP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C)Cc3cnc[nH]3)C2)C1 ZINC001121897322 1372117480 /nfs/dbraw/zinc/11/74/80/1372117480.db2.gz YQZXSDGHHMNOHZ-YUCHZMFVSA-N 2 1 346.519 3.186 20 0 EGADMP CCC[NH2+]C1CC2(CC(NC(=O)[C@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001122057362 1372164317 /nfs/dbraw/zinc/16/43/17/1372164317.db2.gz XLQMEBLACWXEFG-FCOWATRHSA-N 2 1 343.515 3.106 20 0 EGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209950660 1372239242 /nfs/dbraw/zinc/23/92/42/1372239242.db2.gz GMRCOOUAISONPP-OALUTQOASA-N 2 1 337.552 3.410 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209954858 1372240289 /nfs/dbraw/zinc/24/02/89/1372240289.db2.gz ZYHVSMIZGTUENN-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001209951890 1372240522 /nfs/dbraw/zinc/24/05/22/1372240522.db2.gz OGCIYWLNTDWIAS-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001210132798 1372277372 /nfs/dbraw/zinc/27/73/72/1372277372.db2.gz ISTRZTDSUOTDMF-PKOBYXMFSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1ccc(-c2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)on2)cc1 ZINC001210261980 1372308539 /nfs/dbraw/zinc/30/85/39/1372308539.db2.gz LVOHNXCORBKBEO-UHFFFAOYSA-N 2 1 335.411 3.198 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211269501 1372517312 /nfs/dbraw/zinc/51/73/12/1372517312.db2.gz RQZIMYHBYBUCTF-XSXCZSQGSA-N 2 1 343.515 3.226 20 0 EGADMP C[NH+]1CCC(COc2c(F)cccc2Nc2ccc[nH+]c2N)CC1 ZINC001212408817 1372701814 /nfs/dbraw/zinc/70/18/14/1372701814.db2.gz NXWKNCNLUYOOJN-UHFFFAOYSA-N 2 1 330.407 3.267 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001214661872 1373098646 /nfs/dbraw/zinc/09/86/46/1373098646.db2.gz IJTABXKMTKKNHG-BRWVUGGUSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356465 1373117803 /nfs/dbraw/zinc/11/78/03/1373117803.db2.gz DCYWUAHIPRQFGF-QZTJIDSGSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CCCC(C)(C)C ZINC001214855995 1373130700 /nfs/dbraw/zinc/13/07/00/1373130700.db2.gz UEHQZQZSQGNNLB-ZACQAIPSSA-N 2 1 346.519 3.023 20 0 EGADMP CCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001215020671 1373157629 /nfs/dbraw/zinc/15/76/29/1373157629.db2.gz ZXOVHHJZEOLQDY-SJLPKXTDSA-N 2 1 337.552 3.266 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+][C@@H](C)c1ccccc1C ZINC001127685837 1373162262 /nfs/dbraw/zinc/16/22/62/1373162262.db2.gz VMBDWJXLXJKAON-SJORKVTESA-N 2 1 342.487 3.172 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001188145942 1388249618 /nfs/dbraw/zinc/24/96/18/1388249618.db2.gz RXZOOWHWSUXZTN-KJYWSYJISA-N 2 1 343.515 3.226 20 0 EGADMP Cc1cc(C)c(C[NH2+]CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001129410885 1373381610 /nfs/dbraw/zinc/38/16/10/1373381610.db2.gz QYZJHHYPTRJBIN-IBGZPJMESA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001129422069 1373382264 /nfs/dbraw/zinc/38/22/64/1373382264.db2.gz DXMXJCWTQFUFCQ-HXUWFJFHSA-N 2 1 343.515 3.033 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129429914 1373383374 /nfs/dbraw/zinc/38/33/74/1373383374.db2.gz MQAMNWWFBXJFIW-XLIONFOSSA-N 2 1 343.515 3.169 20 0 EGADMP [NH3+]CC1CCC(c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)CC1 ZINC001217729547 1373496023 /nfs/dbraw/zinc/49/60/23/1373496023.db2.gz AFFWGNRCHAPRCC-VJFUWPCTSA-N 2 1 340.471 3.292 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COCCC2CC[NH2+]CC2)O1 ZINC001217913574 1373512426 /nfs/dbraw/zinc/51/24/26/1373512426.db2.gz XSJDYQVGKKONGN-HXUWFJFHSA-N 2 1 346.515 3.072 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](OCC[C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC001217931240 1373513592 /nfs/dbraw/zinc/51/35/92/1373513592.db2.gz STKKEPOUABILRN-HZEGPAAWSA-N 2 1 328.500 3.303 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001218024912 1373540447 /nfs/dbraw/zinc/54/04/47/1373540447.db2.gz QIOAEKWKZZKPNL-MLGOLLRUSA-N 2 1 341.293 3.278 20 0 EGADMP C[NH+](C)Cc1cc(O[C@H]2CC[C@@]23CC[NH2+]C3)ccc1Br ZINC001218115184 1373563640 /nfs/dbraw/zinc/56/36/40/1373563640.db2.gz FPCDCCBNVUFIFP-HOTGVXAUSA-N 2 1 339.277 3.032 20 0 EGADMP Cc1ccc(C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)c(C)c1 ZINC001130622290 1373570702 /nfs/dbraw/zinc/57/07/02/1373570702.db2.gz BGXPYNHIKWXBGF-UHFFFAOYSA-N 2 1 345.531 3.162 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]CC1CCC2(CC2)CC1 ZINC001130622392 1373571098 /nfs/dbraw/zinc/57/10/98/1373571098.db2.gz GQXGHYQUIAMOEH-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP CC[C@@]1(c2cccc(OC[C@H]3C[NH2+]CCCO3)c2)CCCC[N@@H+](C)C1 ZINC001218301181 1373590866 /nfs/dbraw/zinc/59/08/66/1373590866.db2.gz ZAYFGOXDUIHNGU-NHCUHLMSSA-N 2 1 346.515 3.207 20 0 EGADMP C[N@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@H]2C=CC[NH2+]C2)cc13 ZINC001218333254 1373598842 /nfs/dbraw/zinc/59/88/42/1373598842.db2.gz DAQLQZLDHLLHMI-YVNJGZBMSA-N 2 1 338.495 3.282 20 0 EGADMP [NH3+]CCc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC001218410602 1373609392 /nfs/dbraw/zinc/60/93/92/1373609392.db2.gz GKBTXPYSGVETRN-IBGZPJMESA-N 2 1 330.859 3.495 20 0 EGADMP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)Nc2cccc3c2C[NH2+]C3)C1 ZINC001218994019 1373675756 /nfs/dbraw/zinc/67/57/56/1373675756.db2.gz ZRWAZBGPSSFKGO-LJQANCHMSA-N 2 1 349.478 3.449 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C(=O)NC[C@@]1(F)CCC[NH2+]C1)c1ccccc1 ZINC001219768173 1373731948 /nfs/dbraw/zinc/73/19/48/1373731948.db2.gz KPORCCDDLMPVPJ-UYAOXDASSA-N 2 1 349.494 3.058 20 0 EGADMP Fc1ccc(-c2ccc(C[N@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)cc2)cc1 ZINC001222497745 1373849883 /nfs/dbraw/zinc/84/98/83/1373849883.db2.gz YWBBCBUMDYAOKL-SFTDATJTSA-N 2 1 339.458 3.019 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC3=CCCCC3)[C@H]2C1 ZINC001223962480 1375049623 /nfs/dbraw/zinc/04/96/23/1375049623.db2.gz QMCBHWOWZGFCHN-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC3=CCCCC3)[C@H]2C1 ZINC001223962480 1375049627 /nfs/dbraw/zinc/04/96/27/1375049627.db2.gz QMCBHWOWZGFCHN-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC3=CCCCC3)[C@H]2C1 ZINC001223962480 1375049631 /nfs/dbraw/zinc/04/96/31/1375049631.db2.gz QMCBHWOWZGFCHN-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCCC1CCC1 ZINC001132105643 1375150084 /nfs/dbraw/zinc/15/00/84/1375150084.db2.gz KQDIDVZQDUEPPB-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCCC1CCC1 ZINC001132105643 1375150091 /nfs/dbraw/zinc/15/00/91/1375150091.db2.gz KQDIDVZQDUEPPB-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCCC1CCC1 ZINC001132105643 1375150095 /nfs/dbraw/zinc/15/00/95/1375150095.db2.gz KQDIDVZQDUEPPB-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132105339 1375150439 /nfs/dbraw/zinc/15/04/39/1375150439.db2.gz FPMFXRSXEQQPBW-IKSUFZCESA-N 2 1 335.536 3.186 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132105339 1375150442 /nfs/dbraw/zinc/15/04/42/1375150442.db2.gz FPMFXRSXEQQPBW-IKSUFZCESA-N 2 1 335.536 3.186 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132105339 1375150446 /nfs/dbraw/zinc/15/04/46/1375150446.db2.gz FPMFXRSXEQQPBW-IKSUFZCESA-N 2 1 335.536 3.186 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CC1CCCCCC1 ZINC001132105552 1375150693 /nfs/dbraw/zinc/15/06/93/1375150693.db2.gz IUJNHYFDFVCGTM-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132153890 1375174189 /nfs/dbraw/zinc/17/41/89/1375174189.db2.gz USTVXDZRCSQTEH-FPZRGXOSSA-N 2 1 340.471 3.273 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CC3(CCC3)C2)C1 ZINC001132154380 1375174232 /nfs/dbraw/zinc/17/42/32/1375174232.db2.gz ZWKJMJPNUSJNMG-AEFFLSMTSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CC3(CCC3)C2)C1 ZINC001132154380 1375174234 /nfs/dbraw/zinc/17/42/34/1375174234.db2.gz ZWKJMJPNUSJNMG-AEFFLSMTSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001132154380 1375174236 /nfs/dbraw/zinc/17/42/36/1375174236.db2.gz ZWKJMJPNUSJNMG-AEFFLSMTSA-N 2 1 349.563 3.266 20 0 EGADMP CCc1cccc(C[N@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)c1 ZINC001132269487 1375257404 /nfs/dbraw/zinc/25/74/04/1375257404.db2.gz KOEGCZANTSDIOC-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1CCC1CCCCCC1 ZINC001132277083 1375261421 /nfs/dbraw/zinc/26/14/21/1375261421.db2.gz AQIPEPXTDPXVIC-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[N@H+]1CC1=CCCCC1 ZINC001132311312 1375290600 /nfs/dbraw/zinc/29/06/00/1375290600.db2.gz SRILVZUORMDGBA-HKUYNNGSSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[NH+]1CC1=CCCCC1 ZINC001132311312 1375290602 /nfs/dbraw/zinc/29/06/02/1375290602.db2.gz SRILVZUORMDGBA-HKUYNNGSSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[NH+]1CC1=CCCCC1 ZINC001132311312 1375290604 /nfs/dbraw/zinc/29/06/04/1375290604.db2.gz SRILVZUORMDGBA-HKUYNNGSSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132336097 1375316660 /nfs/dbraw/zinc/31/66/60/1375316660.db2.gz ZPDSWSZIKXZMBN-QZTJIDSGSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)CC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132336097 1375316662 /nfs/dbraw/zinc/31/66/62/1375316662.db2.gz ZPDSWSZIKXZMBN-QZTJIDSGSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335902 1375316689 /nfs/dbraw/zinc/31/66/89/1375316689.db2.gz WAJBIRKSWCLJNV-ROUUACIJSA-N 2 1 346.519 3.332 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335902 1375316693 /nfs/dbraw/zinc/31/66/93/1375316693.db2.gz WAJBIRKSWCLJNV-ROUUACIJSA-N 2 1 346.519 3.332 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CCC2)C1 ZINC001132366143 1375330873 /nfs/dbraw/zinc/33/08/73/1375330873.db2.gz XDSPJQZVEHDFDL-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCC2)C1 ZINC001132366143 1375330879 /nfs/dbraw/zinc/33/08/79/1375330879.db2.gz XDSPJQZVEHDFDL-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CCC2)C1 ZINC001132366143 1375330887 /nfs/dbraw/zinc/33/08/87/1375330887.db2.gz XDSPJQZVEHDFDL-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001226775020 1375330922 /nfs/dbraw/zinc/33/09/22/1375330922.db2.gz PKIJKYHRSVGMSB-HWYGNIMXSA-N 2 1 344.503 3.134 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2c(C)cccc2C)C1 ZINC001132376618 1375337926 /nfs/dbraw/zinc/33/79/26/1375337926.db2.gz PGBUCMCXBSMFJA-MOPGFXCFSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001132375624 1375338236 /nfs/dbraw/zinc/33/82/36/1375338236.db2.gz GGDOSEOICFEEAF-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001132376702 1375339228 /nfs/dbraw/zinc/33/92/28/1375339228.db2.gz PKYXJVAJESFQIA-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001132376949 1375339318 /nfs/dbraw/zinc/33/93/18/1375339318.db2.gz RZPDRKJLTBLLRW-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001226889995 1375353194 /nfs/dbraw/zinc/35/31/94/1375353194.db2.gz FARVVHAXZIUKGD-HVLDZDKDSA-N 2 1 335.536 3.234 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001226891967 1375353550 /nfs/dbraw/zinc/35/35/50/1375353550.db2.gz WYJIGGYQDPUCOQ-IPMKNSEASA-N 2 1 337.552 3.314 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132411052 1375359827 /nfs/dbraw/zinc/35/98/27/1375359827.db2.gz SFVIJBKZAIOAPO-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001132411052 1375359834 /nfs/dbraw/zinc/35/98/34/1375359834.db2.gz SFVIJBKZAIOAPO-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001132411052 1375359838 /nfs/dbraw/zinc/35/98/38/1375359838.db2.gz SFVIJBKZAIOAPO-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001132425662 1375373248 /nfs/dbraw/zinc/37/32/48/1375373248.db2.gz KJZQZEAOTHQQKK-IRXDYDNUSA-N 2 1 346.519 3.311 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001132425662 1375373255 /nfs/dbraw/zinc/37/32/55/1375373255.db2.gz KJZQZEAOTHQQKK-IRXDYDNUSA-N 2 1 346.519 3.311 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]2C)cc1 ZINC001132433040 1375378326 /nfs/dbraw/zinc/37/83/26/1375378326.db2.gz JRNHZGXOAFVWJC-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CC1=CCCCC1 ZINC001132436596 1375381532 /nfs/dbraw/zinc/38/15/32/1375381532.db2.gz MTGRGDODOYZRRB-HKUYNNGSSA-N 2 1 335.536 3.188 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132436998 1375381724 /nfs/dbraw/zinc/38/17/24/1375381724.db2.gz ORXXMZXXNHSSFU-YZBXUTEPSA-N 2 1 337.552 3.434 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC2CCCCCC2)C1 ZINC001132441415 1375384761 /nfs/dbraw/zinc/38/47/61/1375384761.db2.gz OOCDYGKIEFPLQH-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001132441415 1375384767 /nfs/dbraw/zinc/38/47/67/1375384767.db2.gz OOCDYGKIEFPLQH-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001132441415 1375384772 /nfs/dbraw/zinc/38/47/72/1375384772.db2.gz OOCDYGKIEFPLQH-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C ZINC001227149650 1375397848 /nfs/dbraw/zinc/39/78/48/1375397848.db2.gz ASWZBSMXAJMBKP-HZPDHXFCSA-N 2 1 325.541 3.170 20 0 EGADMP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001227218542 1375407971 /nfs/dbraw/zinc/40/79/71/1375407971.db2.gz XDACFHDVWMPIRT-QZTJIDSGSA-N 2 1 337.552 3.312 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CC1CC(C)(C)C1 ZINC001132525492 1375441865 /nfs/dbraw/zinc/44/18/65/1375441865.db2.gz SMQZFBBKHZTEFE-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CCC[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001227792658 1375475682 /nfs/dbraw/zinc/47/56/82/1375475682.db2.gz QVRMEBHDONVORD-KRWDZBQOSA-N 2 1 346.519 3.167 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001227876095 1375485956 /nfs/dbraw/zinc/48/59/56/1375485956.db2.gz FCBYEGIEUGKMQG-IBGZPJMESA-N 2 1 347.547 3.022 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001228604052 1375612603 /nfs/dbraw/zinc/61/26/03/1375612603.db2.gz WQWOJBBJRBOPFK-RTLRUIJZSA-N 2 1 335.536 3.092 20 0 EGADMP CCCCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132887581 1375625065 /nfs/dbraw/zinc/62/50/65/1375625065.db2.gz GHQVZGQCZKWHNL-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133012278 1375709859 /nfs/dbraw/zinc/70/98/59/1375709859.db2.gz QMNKJHCTRFZSTO-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl ZINC001228932720 1375720087 /nfs/dbraw/zinc/72/00/87/1375720087.db2.gz SSLQGWOSZADHSM-OHPBWSAHSA-N 2 1 341.927 3.019 20 0 EGADMP CCCCCC[NH+]1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001229214094 1375788720 /nfs/dbraw/zinc/78/87/20/1375788720.db2.gz AKUDPQIBRBMAAB-UHFFFAOYSA-N 2 1 325.541 3.125 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC2CCCC2)C1 ZINC001229692550 1375877383 /nfs/dbraw/zinc/87/73/83/1375877383.db2.gz JKEHTNLNXQFQLU-XUVXKRRUSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)cc(C)c1 ZINC001229859745 1375906006 /nfs/dbraw/zinc/90/60/06/1375906006.db2.gz DCSYESGPFZUPJP-WOJBJXKFSA-N 2 1 345.531 3.162 20 0 EGADMP CC[C@@H](F)C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001230017474 1375931411 /nfs/dbraw/zinc/93/14/11/1375931411.db2.gz WVFQODXRYLNBGW-MJGOQNOKSA-N 2 1 349.494 3.008 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC001230274797 1375980475 /nfs/dbraw/zinc/98/04/75/1375980475.db2.gz MKAOIQZTVUPMSB-BHIYHBOVSA-N 2 1 331.504 3.105 20 0 EGADMP CC(C)CCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001230374423 1376010025 /nfs/dbraw/zinc/01/00/25/1376010025.db2.gz WPWABMWXEKGIFT-HXUWFJFHSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230611727 1376102491 /nfs/dbraw/zinc/10/24/91/1376102491.db2.gz YZDYPGYMELXHJA-PKOBYXMFSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)c1ccc2ccccc2c1 ZINC001133834447 1376223893 /nfs/dbraw/zinc/22/38/93/1376223893.db2.gz YEOYDJKXZGHMAT-DLBZAZTESA-N 2 1 339.483 3.091 20 0 EGADMP CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016508 1376385888 /nfs/dbraw/zinc/38/58/88/1376385888.db2.gz YMHOHUXYIMHYMJ-UHFFFAOYSA-N 2 1 332.448 3.298 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)CCCC(=O)c2cccnc2)c1 ZINC001232146517 1376408316 /nfs/dbraw/zinc/40/83/16/1376408316.db2.gz RRHLWUFOUKXZIV-UHFFFAOYSA-N 2 1 343.446 3.377 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC001232143327 1376408536 /nfs/dbraw/zinc/40/85/36/1376408536.db2.gz BATHVPZEQMEZRC-OAQYLSRUSA-N 2 1 341.474 3.376 20 0 EGADMP c1nscc1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001232228802 1376420048 /nfs/dbraw/zinc/42/00/48/1376420048.db2.gz ZHEHAXUACVUTKG-UHFFFAOYSA-N 2 1 328.485 3.026 20 0 EGADMP Nc1ccc(F)cc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001232511811 1376473049 /nfs/dbraw/zinc/47/30/49/1376473049.db2.gz RZBVGMAQLGZHGW-MJGOQNOKSA-N 2 1 339.458 3.362 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[NH+]2C)cc1 ZINC001134556258 1376592215 /nfs/dbraw/zinc/59/22/15/1376592215.db2.gz QZMJIJXWKWUSTF-IBGZPJMESA-N 2 1 331.504 3.133 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001134556258 1376592217 /nfs/dbraw/zinc/59/22/17/1376592217.db2.gz QZMJIJXWKWUSTF-IBGZPJMESA-N 2 1 331.504 3.133 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2C)cc1 ZINC001134556258 1376592222 /nfs/dbraw/zinc/59/22/22/1376592222.db2.gz QZMJIJXWKWUSTF-IBGZPJMESA-N 2 1 331.504 3.133 20 0 EGADMP COC(=O)/C=C/c1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC001233300196 1376607601 /nfs/dbraw/zinc/60/76/01/1376607601.db2.gz GHAQYWPFUBGDSY-MDZDMXLPSA-N 2 1 342.483 3.323 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CCCC(C)(C)C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612016 1376624159 /nfs/dbraw/zinc/62/41/59/1376624159.db2.gz GKXXAHZVRGLURV-HZPDHXFCSA-N 2 1 325.541 3.170 20 0 EGADMP CCc1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134773350 1376714015 /nfs/dbraw/zinc/71/40/15/1376714015.db2.gz NXTLMXYKRMIARZ-IAGOWNOFSA-N 2 1 347.547 3.352 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC(C)(C)C ZINC001234215689 1376788748 /nfs/dbraw/zinc/78/87/48/1376788748.db2.gz OPEUMGBAIJJZRR-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC(C)(C)C ZINC001234215689 1376788751 /nfs/dbraw/zinc/78/87/51/1376788751.db2.gz OPEUMGBAIJJZRR-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC(C)(C)C ZINC001234215689 1376788756 /nfs/dbraw/zinc/78/87/56/1376788756.db2.gz OPEUMGBAIJJZRR-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP Fc1cccc2c(C[N@@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cccc12 ZINC001235021779 1376828478 /nfs/dbraw/zinc/82/84/78/1376828478.db2.gz JPZXMWBWLMTQES-FQEVSTJZSA-N 2 1 328.431 3.181 20 0 EGADMP Fc1cccc2c(C[N@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cccc12 ZINC001235021779 1376828487 /nfs/dbraw/zinc/82/84/87/1376828487.db2.gz JPZXMWBWLMTQES-FQEVSTJZSA-N 2 1 328.431 3.181 20 0 EGADMP c1cc(Oc2ccccc2)c(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)s1 ZINC001235036312 1376834227 /nfs/dbraw/zinc/83/42/27/1376834227.db2.gz LMZCZNNPIKNOPZ-CRAIPNDOSA-N 2 1 344.480 3.351 20 0 EGADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235039381 1376838851 /nfs/dbraw/zinc/83/88/51/1376838851.db2.gz ZKMVHXZXLBRULO-DUXKGJEZSA-N 2 1 330.516 3.299 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CCCC[C@]34CC[NH2+]C4)C2)cc1 ZINC001235120401 1376851285 /nfs/dbraw/zinc/85/12/85/1376851285.db2.gz AQVLJENAOBOOPA-LEWJYISDSA-N 2 1 327.516 3.117 20 0 EGADMP Brc1coc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235242784 1376862349 /nfs/dbraw/zinc/86/23/49/1376862349.db2.gz UZYYZAPGOQNVMC-HNNXBMFYSA-N 2 1 327.266 3.396 20 0 EGADMP COc1cccc2c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c[nH]c21 ZINC001235428815 1376870421 /nfs/dbraw/zinc/87/04/21/1376870421.db2.gz REEIEQSWKULOJC-JKSUJKDBSA-N 2 1 327.472 3.388 20 0 EGADMP FC(F)(F)c1ccccc1OC1C[NH+](CCC2CC[NH2+]CC2)C1 ZINC001235704808 1376884610 /nfs/dbraw/zinc/88/46/10/1376884610.db2.gz AYSDIEIESDEJAY-UHFFFAOYSA-N 2 1 328.378 3.158 20 0 EGADMP [NH3+]C1CN([C@@H]2CCC[N@@H+](Cc3ccc(-c4cccc(Cl)c4)o3)C2)C1 ZINC001236074261 1376930974 /nfs/dbraw/zinc/93/09/74/1376930974.db2.gz WBNMELXVDWMTHA-QGZVFWFLSA-N 2 1 345.874 3.207 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2Cl)N(C)C)CC[NH2+]1 ZINC001246297708 1377050926 /nfs/dbraw/zinc/05/09/26/1377050926.db2.gz XJVKNASUZJJTKD-AXAPSJFSSA-N 2 1 330.303 3.326 20 0 EGADMP C[NH2+]C1CCC([N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001246723533 1377053614 /nfs/dbraw/zinc/05/36/14/1377053614.db2.gz JPFHLFQPWXUBGW-KMEYYKJISA-N 2 1 329.488 3.093 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N(CC[NH3+])Cc1ccc(Cl)cc1Cl)C2 ZINC001246821013 1377055284 /nfs/dbraw/zinc/05/52/84/1377055284.db2.gz LNGUXIRAVLHQBU-MUJYYYPQSA-N 2 1 342.314 3.379 20 0 EGADMP CC[C@H](C(=O)N(C)CCC[N@@H+](C)CC1CCC(C)(C)CC1)[NH+](C)C ZINC001327276677 1388477294 /nfs/dbraw/zinc/47/72/94/1388477294.db2.gz DTTNUWWCVQAKAG-GOSISDBHSA-N 2 1 339.568 3.323 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CCCCc1ccccc1 ZINC001135436972 1377097273 /nfs/dbraw/zinc/09/72/73/1377097273.db2.gz IGVSXXPAAXYGIG-UHFFFAOYSA-N 2 1 347.547 3.227 20 0 EGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(N3CCCCCC3=O)c2)CC1 ZINC001254511146 1377104948 /nfs/dbraw/zinc/10/49/48/1377104948.db2.gz WUPFRNMAPCQGTR-SFHVURJKSA-N 2 1 329.488 3.168 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(N3CCCCCC3=O)c2)CC1 ZINC001254511146 1377104951 /nfs/dbraw/zinc/10/49/51/1377104951.db2.gz WUPFRNMAPCQGTR-SFHVURJKSA-N 2 1 329.488 3.168 20 0 EGADMP C[N@@H+]([C@@H]1CCC[NH+](C)CC1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001254529468 1377106650 /nfs/dbraw/zinc/10/66/50/1377106650.db2.gz GHHLFVCTPUKAKH-APWZRJJASA-N 2 1 339.524 3.192 20 0 EGADMP C[NH+]([C@@H]1CCC[N@H+](C)CC1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001254529468 1377106652 /nfs/dbraw/zinc/10/66/52/1377106652.db2.gz GHHLFVCTPUKAKH-APWZRJJASA-N 2 1 339.524 3.192 20 0 EGADMP C[NH+]([C@@H]1CCC[N@@H+](C)CC1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001254529468 1377106654 /nfs/dbraw/zinc/10/66/54/1377106654.db2.gz GHHLFVCTPUKAKH-APWZRJJASA-N 2 1 339.524 3.192 20 0 EGADMP CC(C)CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135476663 1377110521 /nfs/dbraw/zinc/11/05/21/1377110521.db2.gz LWAQWWXEDKGXNZ-IAGOWNOFSA-N 2 1 327.557 3.273 20 0 EGADMP CC(C)CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135476812 1377110706 /nfs/dbraw/zinc/11/07/06/1377110706.db2.gz MCGXTLBCCHOCGZ-IAGOWNOFSA-N 2 1 325.541 3.027 20 0 EGADMP Cc1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135476369 1377110866 /nfs/dbraw/zinc/11/08/66/1377110866.db2.gz KBWJOVXNTKROOR-QZTJIDSGSA-N 2 1 347.547 3.346 20 0 EGADMP CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135477481 1377111406 /nfs/dbraw/zinc/11/14/06/1377111406.db2.gz VNGFZBHRSHFUCN-WMXNSBIJSA-N 2 1 325.541 3.194 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135478173 1377111568 /nfs/dbraw/zinc/11/15/68/1377111568.db2.gz ZRVAMCCYGIDPIL-HOTGVXAUSA-N 2 1 337.552 3.027 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135679294 1377181264 /nfs/dbraw/zinc/18/12/64/1377181264.db2.gz LYHKRIMZYLSTPH-HZPDHXFCSA-N 2 1 336.524 3.281 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001135680556 1377182748 /nfs/dbraw/zinc/18/27/48/1377182748.db2.gz XKRAICLGNJRLSM-HZPDHXFCSA-N 2 1 348.535 3.281 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCCC(C)(C)C)C1)[NH+](C)C ZINC001266110733 1377189864 /nfs/dbraw/zinc/18/98/64/1377189864.db2.gz NYTRCPDPCRFWDN-IRXDYDNUSA-N 2 1 325.541 3.076 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001135858486 1377236767 /nfs/dbraw/zinc/23/67/67/1377236767.db2.gz YPJLEEYXXLXMPV-JKSUJKDBSA-N 2 1 345.487 3.148 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1Cl ZINC001135858452 1377236898 /nfs/dbraw/zinc/23/68/98/1377236898.db2.gz YHBUZYUIBMXPOC-GJZGRUSLSA-N 2 1 339.911 3.055 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001135860803 1377237898 /nfs/dbraw/zinc/23/78/98/1377237898.db2.gz HTIILQQYSMHHGH-OALUTQOASA-N 2 1 347.547 3.327 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001135860901 1377237911 /nfs/dbraw/zinc/23/79/11/1377237911.db2.gz IWRSGCOORCUZAV-RTBURBONSA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001135861383 1377238745 /nfs/dbraw/zinc/23/87/45/1377238745.db2.gz PZXZREJPKYRZNU-IAGOWNOFSA-N 2 1 345.531 3.279 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001135980659 1377286120 /nfs/dbraw/zinc/28/61/20/1377286120.db2.gz REXJHLHDDIZXLG-GJZGRUSLSA-N 2 1 339.911 3.055 20 0 EGADMP C[NH+](C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)c1ccccc1 ZINC001266640465 1377356512 /nfs/dbraw/zinc/35/65/12/1377356512.db2.gz VRHDSQVTGKKORJ-UFYCRDLUSA-N 2 1 343.515 3.106 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001267090238 1377411708 /nfs/dbraw/zinc/41/17/08/1377411708.db2.gz HZCSTEZSCFPDKV-WOJBJXKFSA-N 2 1 345.531 3.244 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC001136660119 1377413909 /nfs/dbraw/zinc/41/39/09/1377413909.db2.gz CTXOAFJNRMUUJQ-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5c(c4)COC5)C[C@@H]3C2)cc1 ZINC001137027348 1377460809 /nfs/dbraw/zinc/46/08/09/1377460809.db2.gz UYIBGDGJEZCFNF-VXKWHMMOSA-N 2 1 334.463 3.281 20 0 EGADMP CC[C@@H](C(=O)N1CCC(C[N@@H+](C)CCC2CCCC2)CC1)[NH+](C)C ZINC001267604093 1377463830 /nfs/dbraw/zinc/46/38/30/1377463830.db2.gz JHTTUEZLRXKCBF-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ncccc1O)CC2 ZINC001138390752 1377714479 /nfs/dbraw/zinc/71/44/79/1377714479.db2.gz HHDLRHUQTRYVNB-IBGZPJMESA-N 2 1 341.455 3.257 20 0 EGADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)ccc1OC(C)C ZINC001138574916 1377745497 /nfs/dbraw/zinc/74/54/97/1377745497.db2.gz OUZKQZCQSBWMFP-UHFFFAOYSA-N 2 1 332.488 3.400 20 0 EGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-n4cnc5ccccc54)cc3)C[C@@H]2C1 ZINC001138588666 1377749052 /nfs/dbraw/zinc/74/90/52/1377749052.db2.gz WLYFMBIFEUISBB-KDURUIRLSA-N 2 1 346.478 3.409 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C[C@@H]2C1 ZINC001138588666 1377749053 /nfs/dbraw/zinc/74/90/53/1377749053.db2.gz WLYFMBIFEUISBB-KDURUIRLSA-N 2 1 346.478 3.409 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C[C@@H]2C1 ZINC001138588666 1377749054 /nfs/dbraw/zinc/74/90/54/1377749054.db2.gz WLYFMBIFEUISBB-KDURUIRLSA-N 2 1 346.478 3.409 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC001138715772 1377772383 /nfs/dbraw/zinc/77/23/83/1377772383.db2.gz MGDBAVLGZHOCQQ-UHFFFAOYSA-N 2 1 337.467 3.454 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CCC(=O)c2cccs2)cc1 ZINC001138772034 1377782336 /nfs/dbraw/zinc/78/23/36/1377782336.db2.gz NCTCXBOYDQSPNM-UHFFFAOYSA-N 2 1 346.496 3.393 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC001138986279 1377813274 /nfs/dbraw/zinc/81/32/74/1377813274.db2.gz HZAMRXMFOPMMIH-UHFFFAOYSA-N 2 1 347.547 3.323 20 0 EGADMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cnc(N)s3)C[C@@H]21 ZINC001139228500 1377856275 /nfs/dbraw/zinc/85/62/75/1377856275.db2.gz ILYJFOVGTOKIOD-BZSNNMDCSA-N 2 1 342.512 3.336 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cnc(N)s3)C[C@@H]21 ZINC001139228500 1377856276 /nfs/dbraw/zinc/85/62/76/1377856276.db2.gz ILYJFOVGTOKIOD-BZSNNMDCSA-N 2 1 342.512 3.336 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cnc(N)s3)C[C@@H]21 ZINC001139228500 1377856277 /nfs/dbraw/zinc/85/62/77/1377856277.db2.gz ILYJFOVGTOKIOD-BZSNNMDCSA-N 2 1 342.512 3.336 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cnc(N)s3)C[C@@H]21 ZINC001139228500 1377856278 /nfs/dbraw/zinc/85/62/78/1377856278.db2.gz ILYJFOVGTOKIOD-BZSNNMDCSA-N 2 1 342.512 3.336 20 0 EGADMP C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[NH+]1CCCCCC1 ZINC001139362010 1377874232 /nfs/dbraw/zinc/87/42/32/1377874232.db2.gz SGNJWOQMFCJFLR-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP Clc1cccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)n1 ZINC001139545657 1377902155 /nfs/dbraw/zinc/90/21/55/1377902155.db2.gz GCGDXALJJPMVIT-UHFFFAOYSA-N 2 1 337.895 3.059 20 0 EGADMP CCOc1ccc(C)cc1C[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC001139603858 1377916137 /nfs/dbraw/zinc/91/61/37/1377916137.db2.gz GWKKSDAUNOXUPM-UHFFFAOYSA-N 2 1 347.547 3.243 20 0 EGADMP Cn1ncc2ccc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc21 ZINC001139908162 1377975104 /nfs/dbraw/zinc/97/51/04/1377975104.db2.gz GEFFBJMYUPWMIK-SFTDATJTSA-N 2 1 346.478 3.137 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cnc(Br)s2)CC1 ZINC001139913364 1377976730 /nfs/dbraw/zinc/97/67/30/1377976730.db2.gz IOSVLAXEXSRNBN-UHFFFAOYSA-N 2 1 346.338 3.458 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(Cc3ccncn3)C[C@H]21 ZINC001140343330 1378049856 /nfs/dbraw/zinc/04/98/56/1378049856.db2.gz DHTQUDNLSNXBIP-ATZDWAIDSA-N 2 1 342.512 3.271 20 0 EGADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccncn3)C[C@H]21 ZINC001140343330 1378049858 /nfs/dbraw/zinc/04/98/58/1378049858.db2.gz DHTQUDNLSNXBIP-ATZDWAIDSA-N 2 1 342.512 3.271 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccncn3)C[C@H]21 ZINC001140343330 1378049859 /nfs/dbraw/zinc/04/98/59/1378049859.db2.gz DHTQUDNLSNXBIP-ATZDWAIDSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccncn3)C[C@H]21 ZINC001140343330 1378049861 /nfs/dbraw/zinc/04/98/61/1378049861.db2.gz DHTQUDNLSNXBIP-ATZDWAIDSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccncn3)C[C@H]21 ZINC001140343330 1378049863 /nfs/dbraw/zinc/04/98/63/1378049863.db2.gz DHTQUDNLSNXBIP-ATZDWAIDSA-N 2 1 342.512 3.271 20 0 EGADMP FC(F)(F)CCC[N@@H+]1CCC[C@@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275166527 1378137361 /nfs/dbraw/zinc/13/73/61/1378137361.db2.gz ZMSHJIVJPWWDER-MRXNPFEDSA-N 2 1 344.425 3.014 20 0 EGADMP FC(F)(F)CCC[N@H+]1CCC[C@@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275166527 1378137363 /nfs/dbraw/zinc/13/73/63/1378137363.db2.gz ZMSHJIVJPWWDER-MRXNPFEDSA-N 2 1 344.425 3.014 20 0 EGADMP FC(F)(F)CCC[NH+]1CCC[C@@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001275166527 1378137365 /nfs/dbraw/zinc/13/73/65/1378137365.db2.gz ZMSHJIVJPWWDER-MRXNPFEDSA-N 2 1 344.425 3.014 20 0 EGADMP FC(F)(F)CCC[NH+]1CCC[C@@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275166527 1378137367 /nfs/dbraw/zinc/13/73/67/1378137367.db2.gz ZMSHJIVJPWWDER-MRXNPFEDSA-N 2 1 344.425 3.014 20 0 EGADMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2c1CCCC2 ZINC001275532952 1378141076 /nfs/dbraw/zinc/14/10/76/1378141076.db2.gz DYINIMZRTWAVND-SEJPIABJSA-N 2 1 341.543 3.212 20 0 EGADMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2c1CCCC2 ZINC001275532952 1378141080 /nfs/dbraw/zinc/14/10/80/1378141080.db2.gz DYINIMZRTWAVND-SEJPIABJSA-N 2 1 341.543 3.212 20 0 EGADMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2c1CCCC2 ZINC001275532952 1378141083 /nfs/dbraw/zinc/14/10/83/1378141083.db2.gz DYINIMZRTWAVND-SEJPIABJSA-N 2 1 341.543 3.212 20 0 EGADMP CC(C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001275703794 1378151022 /nfs/dbraw/zinc/15/10/22/1378151022.db2.gz FTUMYLBIILFBGX-SFHVURJKSA-N 2 1 337.552 3.266 20 0 EGADMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccccc2s1 ZINC001276314386 1378170523 /nfs/dbraw/zinc/17/05/23/1378170523.db2.gz FPKLDSJKTSTJMQ-CALCHBBNSA-N 2 1 329.513 3.112 20 0 EGADMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc2ccccc2s1 ZINC001276315291 1378171114 /nfs/dbraw/zinc/17/11/14/1378171114.db2.gz ZRHDMVIZBKXVIX-ROUUACIJSA-N 2 1 329.513 3.112 20 0 EGADMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2sccc21 ZINC001276776980 1378187751 /nfs/dbraw/zinc/18/77/51/1378187751.db2.gz KBSAFFZDPRBXBH-CALCHBBNSA-N 2 1 329.513 3.112 20 0 EGADMP CC(C)Oc1ncc(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276871985 1378190231 /nfs/dbraw/zinc/19/02/31/1378190231.db2.gz CDJVVISRBIPNJF-GASCZTMLSA-N 2 1 337.895 3.296 20 0 EGADMP CC(C)Oc1ncc(Cl)cc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276871985 1378190236 /nfs/dbraw/zinc/19/02/36/1378190236.db2.gz CDJVVISRBIPNJF-GASCZTMLSA-N 2 1 337.895 3.296 20 0 EGADMP CC(C)Oc1ncc(Cl)cc1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276871985 1378190243 /nfs/dbraw/zinc/19/02/43/1378190243.db2.gz CDJVVISRBIPNJF-GASCZTMLSA-N 2 1 337.895 3.296 20 0 EGADMP CC1(C)OC[C@@H](C[N@@H+]2CCC[C@]3(CCC[NH+](C4CCCC4)C3)C2)O1 ZINC001278066493 1378257315 /nfs/dbraw/zinc/25/73/15/1378257315.db2.gz IJDSMWAEYGVOIT-QUCCMNQESA-N 2 1 336.520 3.259 20 0 EGADMP CC1(C)OC[C@@H](C[N@H+]2CCC[C@]3(CCC[NH+](C4CCCC4)C3)C2)O1 ZINC001278066493 1378257325 /nfs/dbraw/zinc/25/73/25/1378257325.db2.gz IJDSMWAEYGVOIT-QUCCMNQESA-N 2 1 336.520 3.259 20 0 EGADMP CC1(C)OC[C@@H](C[NH+]2CCC[C@]3(CCC[N@@H+](C4CCCC4)C3)C2)O1 ZINC001278066493 1378257334 /nfs/dbraw/zinc/25/73/34/1378257334.db2.gz IJDSMWAEYGVOIT-QUCCMNQESA-N 2 1 336.520 3.259 20 0 EGADMP CC1(C)OC[C@@H](C[NH+]2CCC[C@]3(CCC[N@H+](C4CCCC4)C3)C2)O1 ZINC001278066493 1378257336 /nfs/dbraw/zinc/25/73/36/1378257336.db2.gz IJDSMWAEYGVOIT-QUCCMNQESA-N 2 1 336.520 3.259 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(-c4ccc(F)cc4)n3)C[C@@H]2C1 ZINC001141207366 1378270161 /nfs/dbraw/zinc/27/01/61/1378270161.db2.gz YBYJJUUFHKZWEP-SJORKVTESA-N 2 1 325.431 3.271 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(-c4ccc(F)cc4)n3)C[C@@H]2C1 ZINC001141207366 1378270164 /nfs/dbraw/zinc/27/01/64/1378270164.db2.gz YBYJJUUFHKZWEP-SJORKVTESA-N 2 1 325.431 3.271 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(-c4ccc(F)cc4)n3)C[C@@H]2C1 ZINC001141207366 1378270173 /nfs/dbraw/zinc/27/01/73/1378270173.db2.gz YBYJJUUFHKZWEP-SJORKVTESA-N 2 1 325.431 3.271 20 0 EGADMP c1c[nH]c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccc5n[nH]cc5c4)C[C@H]3CC2)c1 ZINC001278521282 1378277907 /nfs/dbraw/zinc/27/79/07/1378277907.db2.gz QCBCMZLPDGQNBI-HDICACEKSA-N 2 1 349.482 3.235 20 0 EGADMP c1c[nH]c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccc5n[nH]cc5c4)C[C@H]3CC2)c1 ZINC001278521282 1378277911 /nfs/dbraw/zinc/27/79/11/1378277911.db2.gz QCBCMZLPDGQNBI-HDICACEKSA-N 2 1 349.482 3.235 20 0 EGADMP c1c[nH]c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccc5n[nH]cc5c4)C[C@H]3CC2)c1 ZINC001278521282 1378277917 /nfs/dbraw/zinc/27/79/17/1378277917.db2.gz QCBCMZLPDGQNBI-HDICACEKSA-N 2 1 349.482 3.235 20 0 EGADMP COc1ccsc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001141323161 1378301389 /nfs/dbraw/zinc/30/13/89/1378301389.db2.gz PCCHFJGHPHUVGJ-SJORKVTESA-N 2 1 343.496 3.106 20 0 EGADMP COc1ccsc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001141323161 1378301391 /nfs/dbraw/zinc/30/13/91/1378301391.db2.gz PCCHFJGHPHUVGJ-SJORKVTESA-N 2 1 343.496 3.106 20 0 EGADMP COc1ccsc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001141323161 1378301393 /nfs/dbraw/zinc/30/13/93/1378301393.db2.gz PCCHFJGHPHUVGJ-SJORKVTESA-N 2 1 343.496 3.106 20 0 EGADMP COc1ccsc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001141323161 1378301395 /nfs/dbraw/zinc/30/13/95/1378301395.db2.gz PCCHFJGHPHUVGJ-SJORKVTESA-N 2 1 343.496 3.106 20 0 EGADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+](C)C2CCCC2)c1C ZINC001141573179 1378344817 /nfs/dbraw/zinc/34/48/17/1378344817.db2.gz OZNQRYXQVJPEMT-UHFFFAOYSA-N 2 1 348.535 3.078 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(C)nc2Cl)CC1 ZINC001142129184 1378415322 /nfs/dbraw/zinc/41/53/22/1378415322.db2.gz YWAMOMARAZVPAD-UHFFFAOYSA-N 2 1 330.863 3.486 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001142623353 1378465853 /nfs/dbraw/zinc/46/58/53/1378465853.db2.gz ZKNZRGXNKWUWBG-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP c1csc(CN2C[C@@H]3C[N@H+](Cc4cccc5n[nH]cc54)C[C@@H]3C2)c1 ZINC001143088885 1378536377 /nfs/dbraw/zinc/53/63/77/1378536377.db2.gz BVUYZNAGPKNJGO-IYBDPMFKSA-N 2 1 338.480 3.188 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4cccc5n[nH]cc54)C[C@H]3C2)c1 ZINC001143088885 1378536389 /nfs/dbraw/zinc/53/63/89/1378536389.db2.gz BVUYZNAGPKNJGO-IYBDPMFKSA-N 2 1 338.480 3.188 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccc5n[nH]cc54)C[C@H]3C2)c1 ZINC001143088885 1378536392 /nfs/dbraw/zinc/53/63/92/1378536392.db2.gz BVUYZNAGPKNJGO-IYBDPMFKSA-N 2 1 338.480 3.188 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001143831215 1378651125 /nfs/dbraw/zinc/65/11/25/1378651125.db2.gz BWFVMMKBWCSRME-PKOBYXMFSA-N 2 1 345.531 3.352 20 0 EGADMP c1cc2ccc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)nc2[nH]1 ZINC001144179485 1378693777 /nfs/dbraw/zinc/69/37/77/1378693777.db2.gz GYHDJAHDPMCZOP-RTBURBONSA-N 2 1 332.451 3.127 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001146333935 1378818980 /nfs/dbraw/zinc/81/89/80/1378818980.db2.gz SJPPDSQDUDYDDN-CVEARBPZSA-N 2 1 334.508 3.035 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC001146333518 1378819156 /nfs/dbraw/zinc/81/91/56/1378819156.db2.gz ORHICDYHEASPBZ-SJORKVTESA-N 2 1 348.535 3.425 20 0 EGADMP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706563 1378903759 /nfs/dbraw/zinc/90/37/59/1378903759.db2.gz HAWCTHZHUKCFSP-ROUUACIJSA-N 2 1 333.520 3.182 20 0 EGADMP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706563 1378903762 /nfs/dbraw/zinc/90/37/62/1378903762.db2.gz HAWCTHZHUKCFSP-ROUUACIJSA-N 2 1 333.520 3.182 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH2+]C[C@H](C)CC(C)C)c1ccccc1 ZINC001147458640 1379024826 /nfs/dbraw/zinc/02/48/26/1379024826.db2.gz MDVHWPJFKXJIID-MJGOQNOKSA-N 2 1 333.520 3.067 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH2+]CCC1=CCCCC1)c1ccccc1 ZINC001147456951 1379025315 /nfs/dbraw/zinc/02/53/15/1379025315.db2.gz AJWJCQKGHZEYQL-HXUWFJFHSA-N 2 1 343.515 3.276 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284960 1379146100 /nfs/dbraw/zinc/14/61/00/1379146100.db2.gz LBHCSPGZUDMNBB-GDWUOILNSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001148418040 1379168501 /nfs/dbraw/zinc/16/85/01/1379168501.db2.gz ABZNCWNHRWILFY-OALUTQOASA-N 2 1 347.547 3.118 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC001148418040 1379168505 /nfs/dbraw/zinc/16/85/05/1379168505.db2.gz ABZNCWNHRWILFY-OALUTQOASA-N 2 1 347.547 3.118 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001148418040 1379168507 /nfs/dbraw/zinc/16/85/07/1379168507.db2.gz ABZNCWNHRWILFY-OALUTQOASA-N 2 1 347.547 3.118 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC2(C1)CC[N@@H+](CCC1CC1)C2 ZINC001148590955 1379219211 /nfs/dbraw/zinc/21/92/11/1379219211.db2.gz NIUFMLAOMZYHJA-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CC(C)C)C2 ZINC001148833567 1379278904 /nfs/dbraw/zinc/27/89/04/1379278904.db2.gz ALNPLSHLFYCIEI-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)CC(C)C)C2 ZINC001148833567 1379278909 /nfs/dbraw/zinc/27/89/09/1379278909.db2.gz ALNPLSHLFYCIEI-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)CC(C)C)C2 ZINC001148833567 1379278912 /nfs/dbraw/zinc/27/89/12/1379278912.db2.gz ALNPLSHLFYCIEI-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)CC(C)C)C2 ZINC001148833568 1379279073 /nfs/dbraw/zinc/27/90/73/1379279073.db2.gz ALNPLSHLFYCIEI-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@H](C)CC(C)C)C2 ZINC001148833568 1379279075 /nfs/dbraw/zinc/27/90/75/1379279075.db2.gz ALNPLSHLFYCIEI-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@H](C)CC(C)C)C2 ZINC001148833568 1379279078 /nfs/dbraw/zinc/27/90/78/1379279078.db2.gz ALNPLSHLFYCIEI-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C[C@H]1C ZINC001284016979 1379365696 /nfs/dbraw/zinc/36/56/96/1379365696.db2.gz LIKCTENANKLYLD-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP Fc1cccc(-c2noc([C@H]3CCC[N@@H+](C[C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC001327865895 1388609496 /nfs/dbraw/zinc/60/94/96/1388609496.db2.gz VNAPMHJOOYYSAW-ZBFHGGJFSA-N 2 1 344.434 3.055 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C)cc2C)[C@@H]1C ZINC001284155237 1379551456 /nfs/dbraw/zinc/55/14/56/1379551456.db2.gz UEGOZRVAENYJMJ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)cc2C)[C@@H]1C ZINC001284155237 1379551459 /nfs/dbraw/zinc/55/14/59/1379551459.db2.gz UEGOZRVAENYJMJ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C)cc2C)[C@@H]1C ZINC001284155237 1379551461 /nfs/dbraw/zinc/55/14/61/1379551461.db2.gz UEGOZRVAENYJMJ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](Cc1c(C)cc(C)cc1C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152386977 1379924842 /nfs/dbraw/zinc/92/48/42/1379924842.db2.gz VLDDYJMDCLAIQF-UYAOXDASSA-N 2 1 345.531 3.033 20 0 EGADMP CC[NH+](Cc1c(C)cc(C)cc1C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152386977 1379924846 /nfs/dbraw/zinc/92/48/46/1379924846.db2.gz VLDDYJMDCLAIQF-UYAOXDASSA-N 2 1 345.531 3.033 20 0 EGADMP CC[NH+](Cc1c(C)cc(C)cc1C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152386977 1379924850 /nfs/dbraw/zinc/92/48/50/1379924850.db2.gz VLDDYJMDCLAIQF-UYAOXDASSA-N 2 1 345.531 3.033 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001152432565 1379933673 /nfs/dbraw/zinc/93/36/73/1379933673.db2.gz LCNMOZYWVMYQAH-INIZCTEOSA-N 2 1 333.520 3.091 20 0 EGADMP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153387968 1380068179 /nfs/dbraw/zinc/06/81/79/1380068179.db2.gz PMTCCPBGRFMSHE-XLIONFOSSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCC2=CCCCC2)CC[N@H+]1C ZINC001153501242 1380086050 /nfs/dbraw/zinc/08/60/50/1380086050.db2.gz HYCRYQSRFMUWJI-YZGWKJHDSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCC2=CCCCC2)CC[NH+]1C ZINC001153501242 1380086051 /nfs/dbraw/zinc/08/60/51/1380086051.db2.gz HYCRYQSRFMUWJI-YZGWKJHDSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCC2=CCCCC2)CC[NH+]1C ZINC001153501242 1380086052 /nfs/dbraw/zinc/08/60/52/1380086052.db2.gz HYCRYQSRFMUWJI-YZGWKJHDSA-N 2 1 349.563 3.434 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153879280 1380148245 /nfs/dbraw/zinc/14/82/45/1380148245.db2.gz DFWGOHRHAVGHIN-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153879280 1380148247 /nfs/dbraw/zinc/14/82/47/1380148247.db2.gz DFWGOHRHAVGHIN-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153879280 1380148250 /nfs/dbraw/zinc/14/82/50/1380148250.db2.gz DFWGOHRHAVGHIN-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)CC ZINC001154069420 1380198157 /nfs/dbraw/zinc/19/81/57/1380198157.db2.gz DDJYBTRGRKESNN-GZKZCVOOSA-N 2 1 325.541 3.290 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154069420 1380198161 /nfs/dbraw/zinc/19/81/61/1380198161.db2.gz DDJYBTRGRKESNN-GZKZCVOOSA-N 2 1 325.541 3.290 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154069420 1380198165 /nfs/dbraw/zinc/19/81/65/1380198165.db2.gz DDJYBTRGRKESNN-GZKZCVOOSA-N 2 1 325.541 3.290 20 0 EGADMP CC[N@@H+](C/C=C\Cl)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099378 1380207407 /nfs/dbraw/zinc/20/74/07/1380207407.db2.gz JEEQATIPJYSQDH-HMVFGEFZSA-N 2 1 343.943 3.219 20 0 EGADMP CC[NH+](C/C=C\Cl)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001154099378 1380207413 /nfs/dbraw/zinc/20/74/13/1380207413.db2.gz JEEQATIPJYSQDH-HMVFGEFZSA-N 2 1 343.943 3.219 20 0 EGADMP CC[NH+](C/C=C\Cl)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001154099378 1380207416 /nfs/dbraw/zinc/20/74/16/1380207416.db2.gz JEEQATIPJYSQDH-HMVFGEFZSA-N 2 1 343.943 3.219 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178774 1380221862 /nfs/dbraw/zinc/22/18/62/1380221862.db2.gz PXRRBVSSPAZPLF-OAHLLOKOSA-N 2 1 330.476 3.211 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154464542 1380282935 /nfs/dbraw/zinc/28/29/35/1380282935.db2.gz PBPPUJZYTAWQLN-GFOMBABLSA-N 2 1 337.552 3.434 20 0 EGADMP CC[N@@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155085821 1380405999 /nfs/dbraw/zinc/40/59/99/1380405999.db2.gz UPOIAUZXIVPTMG-KZNAEPCWSA-N 2 1 327.557 3.081 20 0 EGADMP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155225950 1380426490 /nfs/dbraw/zinc/42/64/90/1380426490.db2.gz DCQRJZOBAKQOPF-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155225950 1380426491 /nfs/dbraw/zinc/42/64/91/1380426491.db2.gz DCQRJZOBAKQOPF-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155225950 1380426492 /nfs/dbraw/zinc/42/64/92/1380426492.db2.gz DCQRJZOBAKQOPF-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244380 1380428586 /nfs/dbraw/zinc/42/85/86/1380428586.db2.gz PIHLNLJZNUBSRF-AEFFLSMTSA-N 2 1 348.535 3.017 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244380 1380428588 /nfs/dbraw/zinc/42/85/88/1380428588.db2.gz PIHLNLJZNUBSRF-AEFFLSMTSA-N 2 1 348.535 3.017 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155249441 1380429032 /nfs/dbraw/zinc/42/90/32/1380429032.db2.gz LBFWZKHXWOLLGZ-GOSISDBHSA-N 2 1 347.547 3.277 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCCc1ccccc1)[NH+](C)C ZINC001155289757 1380434010 /nfs/dbraw/zinc/43/40/10/1380434010.db2.gz XLXYSLKBNRKSQR-QUCCMNQESA-N 2 1 347.547 3.176 20 0 EGADMP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155607336 1380472902 /nfs/dbraw/zinc/47/29/02/1380472902.db2.gz MQXMOFFLVXHURL-QGZVFWFLSA-N 2 1 336.524 3.269 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155607336 1380472904 /nfs/dbraw/zinc/47/29/04/1380472904.db2.gz MQXMOFFLVXHURL-QGZVFWFLSA-N 2 1 336.524 3.269 20 0 EGADMP Cc1ccc(Cl)c(CNc2nc(N3CCC([NH3+])CC3)cc[nH+]2)c1F ZINC001155832853 1380496501 /nfs/dbraw/zinc/49/65/01/1380496501.db2.gz KGEZZZDSQPQUHN-UHFFFAOYSA-N 2 1 349.841 3.117 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cncc(Br)c2)C1 ZINC001328083707 1388665788 /nfs/dbraw/zinc/66/57/88/1388665788.db2.gz DYOXMQFUUSSXQB-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cncc(Br)c2)C1 ZINC001328083707 1388665792 /nfs/dbraw/zinc/66/57/92/1388665792.db2.gz DYOXMQFUUSSXQB-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001156299311 1380553850 /nfs/dbraw/zinc/55/38/50/1380553850.db2.gz SADXTFKNKSWPNZ-IPLHWJFFSA-N 2 1 349.563 3.291 20 0 EGADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001156319617 1380557892 /nfs/dbraw/zinc/55/78/92/1380557892.db2.gz ZKNOEEYNUFAROO-QUCCMNQESA-N 2 1 345.531 3.472 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC=C(C)C)c1ccccc1 ZINC001156319617 1380557893 /nfs/dbraw/zinc/55/78/93/1380557893.db2.gz ZKNOEEYNUFAROO-QUCCMNQESA-N 2 1 345.531 3.472 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C)c1ccccc1 ZINC001156319617 1380557894 /nfs/dbraw/zinc/55/78/94/1380557894.db2.gz ZKNOEEYNUFAROO-QUCCMNQESA-N 2 1 345.531 3.472 20 0 EGADMP CC[NH+](CCC1CC1)[C@H](C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001156319360 1380558023 /nfs/dbraw/zinc/55/80/23/1380558023.db2.gz SJABWTVHDSPSPL-XLIONFOSSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCC1CC1)c1ccccc1 ZINC001156319360 1380558024 /nfs/dbraw/zinc/55/80/24/1380558024.db2.gz SJABWTVHDSPSPL-XLIONFOSSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCC1CC1)c1ccccc1 ZINC001156319360 1380558026 /nfs/dbraw/zinc/55/80/26/1380558026.db2.gz SJABWTVHDSPSPL-XLIONFOSSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](CCC1CC1)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001156319361 1380558144 /nfs/dbraw/zinc/55/81/44/1380558144.db2.gz SJABWTVHDSPSPL-YLJYHZDGSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCC1CC1)c1ccccc1 ZINC001156319361 1380558147 /nfs/dbraw/zinc/55/81/47/1380558147.db2.gz SJABWTVHDSPSPL-YLJYHZDGSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCC1CC1)c1ccccc1 ZINC001156319361 1380558149 /nfs/dbraw/zinc/55/81/49/1380558149.db2.gz SJABWTVHDSPSPL-YLJYHZDGSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001156341583 1380561489 /nfs/dbraw/zinc/56/14/89/1380561489.db2.gz JTODCYGRTATQNH-UTKZUKDTSA-N 2 1 345.531 3.090 20 0 EGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374175 1380566903 /nfs/dbraw/zinc/56/69/03/1380566903.db2.gz LTGDLOMAAMMQEO-IEBWSBKVSA-N 2 1 335.536 3.045 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156374175 1380566906 /nfs/dbraw/zinc/56/69/06/1380566906.db2.gz LTGDLOMAAMMQEO-IEBWSBKVSA-N 2 1 335.536 3.045 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156374175 1380566909 /nfs/dbraw/zinc/56/69/09/1380566909.db2.gz LTGDLOMAAMMQEO-IEBWSBKVSA-N 2 1 335.536 3.045 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475399 1380581110 /nfs/dbraw/zinc/58/11/10/1380581110.db2.gz CXTSYOCGAWJNKH-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098620 1380775138 /nfs/dbraw/zinc/77/51/38/1380775138.db2.gz OPGCLJPEKQWCRE-QGZVFWFLSA-N 2 1 349.494 3.028 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109688 1380777923 /nfs/dbraw/zinc/77/79/23/1380777923.db2.gz RASZYGIVHNBKAI-COQIJWMOSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001157109688 1380777927 /nfs/dbraw/zinc/77/79/27/1380777927.db2.gz RASZYGIVHNBKAI-COQIJWMOSA-N 2 1 337.552 3.434 20 0 EGADMP CC[N@@H+](C/C=C\Cl)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001157119304 1380780764 /nfs/dbraw/zinc/78/07/64/1380780764.db2.gz UGEYABTUNMMVHY-WMXNSBIJSA-N 2 1 343.943 3.076 20 0 EGADMP CC1(Nc2[nH+]cnc3c2ccn3Cc2cccc(F)c2)CC[NH2+]CC1 ZINC001157401603 1380870744 /nfs/dbraw/zinc/87/07/44/1380870744.db2.gz NAKNEIZSCZUOOI-UHFFFAOYSA-N 2 1 339.418 3.173 20 0 EGADMP c1cn(-c2ccc(C[NH+]3CCCC3)cn2)nc1C[NH2+]Cc1ccccc1 ZINC001157612379 1380981857 /nfs/dbraw/zinc/98/18/57/1380981857.db2.gz UPJGPMWEZPIPDR-UHFFFAOYSA-N 2 1 347.466 3.153 20 0 EGADMP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001158061657 1381116889 /nfs/dbraw/zinc/11/68/89/1381116889.db2.gz QSPDSODZXIHRQV-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001158061657 1381116890 /nfs/dbraw/zinc/11/68/90/1381116890.db2.gz QSPDSODZXIHRQV-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001158065658 1381117694 /nfs/dbraw/zinc/11/76/94/1381117694.db2.gz LVMHBFSCNWRFCR-VQTJNVASSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001158065658 1381117698 /nfs/dbraw/zinc/11/76/98/1381117698.db2.gz LVMHBFSCNWRFCR-VQTJNVASSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001158065658 1381117701 /nfs/dbraw/zinc/11/77/01/1381117701.db2.gz LVMHBFSCNWRFCR-VQTJNVASSA-N 2 1 349.563 3.243 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001158082742 1381123746 /nfs/dbraw/zinc/12/37/46/1381123746.db2.gz JYXDZKUREQZRKD-RBUKOAKNSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001158082742 1381123754 /nfs/dbraw/zinc/12/37/54/1381123754.db2.gz JYXDZKUREQZRKD-RBUKOAKNSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001158082742 1381123758 /nfs/dbraw/zinc/12/37/58/1381123758.db2.gz JYXDZKUREQZRKD-RBUKOAKNSA-N 2 1 337.552 3.364 20 0 EGADMP C[C@H](F)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186789 1381152541 /nfs/dbraw/zinc/15/25/41/1381152541.db2.gz YACWZABQJPSCLH-DOTOQJQBSA-N 2 1 346.450 3.009 20 0 EGADMP Cc1c[nH+]c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)nc1N1CCCC1 ZINC001158260119 1381176400 /nfs/dbraw/zinc/17/64/00/1381176400.db2.gz VGDAACDKPQJAAR-HNAYVOBHSA-N 2 1 331.508 3.341 20 0 EGADMP Cc1ccc2cc(Cl)nc(N3CCC([N@@H+]4CC[C@@H]([NH3+])C4)CC3)c2c1 ZINC001158260599 1381176740 /nfs/dbraw/zinc/17/67/40/1381176740.db2.gz FXWBBYCMSURCQQ-OAHLLOKOSA-N 2 1 344.890 3.198 20 0 EGADMP Cc1ccc2cc(Cl)nc(N3CCC([N@H+]4CC[C@@H]([NH3+])C4)CC3)c2c1 ZINC001158260599 1381176744 /nfs/dbraw/zinc/17/67/44/1381176744.db2.gz FXWBBYCMSURCQQ-OAHLLOKOSA-N 2 1 344.890 3.198 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)cc1C ZINC001328266104 1388704332 /nfs/dbraw/zinc/70/43/32/1388704332.db2.gz GVDAZHLXPGXXKB-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH2+]Cc1cccc(C)c1 ZINC001158354610 1381214029 /nfs/dbraw/zinc/21/40/29/1381214029.db2.gz HXFZBRUZXZODJM-KRWDZBQOSA-N 2 1 342.487 3.001 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC(C)C)C1 ZINC001158398345 1381230553 /nfs/dbraw/zinc/23/05/53/1381230553.db2.gz UYHNFYANUQZYNQ-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC(C)C)C1 ZINC001158398345 1381230556 /nfs/dbraw/zinc/23/05/56/1381230556.db2.gz UYHNFYANUQZYNQ-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC(C)C)C1 ZINC001158398345 1381230557 /nfs/dbraw/zinc/23/05/57/1381230557.db2.gz UYHNFYANUQZYNQ-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001158418835 1381239627 /nfs/dbraw/zinc/23/96/27/1381239627.db2.gz ASIFGDGKEMVSIV-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(C)C)[NH+](CC)CC ZINC001158491048 1381266307 /nfs/dbraw/zinc/26/63/07/1381266307.db2.gz GDVVJKYYOPOKQI-QZTJIDSGSA-N 2 1 325.541 3.076 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H]1C ZINC001158472514 1381255442 /nfs/dbraw/zinc/25/54/42/1381255442.db2.gz ANMGIKJNYJUQRQ-RBUKOAKNSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001158472514 1381255446 /nfs/dbraw/zinc/25/54/46/1381255446.db2.gz ANMGIKJNYJUQRQ-RBUKOAKNSA-N 2 1 337.552 3.364 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC001158472514 1381255451 /nfs/dbraw/zinc/25/54/51/1381255451.db2.gz ANMGIKJNYJUQRQ-RBUKOAKNSA-N 2 1 337.552 3.364 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@@H]1C[N@@H+](C)C/C=C/Cl)CC(C)(C)C ZINC001158480985 1381260631 /nfs/dbraw/zinc/26/06/31/1381260631.db2.gz USOKSISCOIOELS-XAVKZTDYSA-N 2 1 343.943 3.030 20 0 EGADMP C[NH+](C/C=C/Cl)C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001158480985 1381260637 /nfs/dbraw/zinc/26/06/37/1381260637.db2.gz USOKSISCOIOELS-XAVKZTDYSA-N 2 1 343.943 3.030 20 0 EGADMP C[NH+](C/C=C/Cl)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001158480985 1381260641 /nfs/dbraw/zinc/26/06/41/1381260641.db2.gz USOKSISCOIOELS-XAVKZTDYSA-N 2 1 343.943 3.030 20 0 EGADMP CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC001158554775 1381296542 /nfs/dbraw/zinc/29/65/42/1381296542.db2.gz ODZUZBVFUSPBLS-QGZVFWFLSA-N 2 1 334.508 3.120 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC001158554775 1381296548 /nfs/dbraw/zinc/29/65/48/1381296548.db2.gz ODZUZBVFUSPBLS-QGZVFWFLSA-N 2 1 334.508 3.120 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CCC(C)(C)C ZINC001158922914 1381465298 /nfs/dbraw/zinc/46/52/98/1381465298.db2.gz MTRVGQAQBQTMNG-QGZVFWFLSA-N 2 1 325.541 3.076 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)(C)C ZINC001158922914 1381465302 /nfs/dbraw/zinc/46/53/02/1381465302.db2.gz MTRVGQAQBQTMNG-QGZVFWFLSA-N 2 1 325.541 3.076 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)(C)C ZINC001158922914 1381465309 /nfs/dbraw/zinc/46/53/09/1381465309.db2.gz MTRVGQAQBQTMNG-QGZVFWFLSA-N 2 1 325.541 3.076 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC3(C2)CCC[NH2+]C3)nc1 ZINC001159025222 1381517544 /nfs/dbraw/zinc/51/75/44/1381517544.db2.gz OBRCLQAHYMAJBE-GOSISDBHSA-N 2 1 328.504 3.208 20 0 EGADMP Nc1cc[nH+]c(-c2cc(Nc3ccc(C4CC[NH2+]CC4)cc3)ccn2)c1 ZINC001159225102 1381736423 /nfs/dbraw/zinc/73/64/23/1381736423.db2.gz WGBCJMZGJGGTTF-UHFFFAOYSA-N 2 1 345.450 3.358 20 0 EGADMP CCCc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2CCC)cc1 ZINC001159335210 1381768136 /nfs/dbraw/zinc/76/81/36/1381768136.db2.gz VJKJRWUAJHHRSG-HXUWFJFHSA-N 2 1 345.531 3.109 20 0 EGADMP CC[NH+](CC)c1ccc(Nc2cccnc2O[C@@H]2CC[NH2+]C2)cc1 ZINC001159351992 1381773945 /nfs/dbraw/zinc/77/39/45/1381773945.db2.gz QRWSZEDKQVUMCC-QGZVFWFLSA-N 2 1 326.444 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001159355370 1381774790 /nfs/dbraw/zinc/77/47/90/1381774790.db2.gz DNEHIIYPYMNKDR-PKOBYXMFSA-N 2 1 331.504 3.026 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001159628447 1381852823 /nfs/dbraw/zinc/85/28/23/1381852823.db2.gz JGJMNYILQIWRFZ-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001159628447 1381852824 /nfs/dbraw/zinc/85/28/24/1381852824.db2.gz JGJMNYILQIWRFZ-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001159628447 1381852825 /nfs/dbraw/zinc/85/28/25/1381852825.db2.gz JGJMNYILQIWRFZ-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCC2CCCCC2)CC1 ZINC001159628746 1381853091 /nfs/dbraw/zinc/85/30/91/1381853091.db2.gz PGDKGLKDXKSQKT-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCC2CCCCC2)CC1 ZINC001159628746 1381853097 /nfs/dbraw/zinc/85/30/97/1381853097.db2.gz PGDKGLKDXKSQKT-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001159909210 1381934055 /nfs/dbraw/zinc/93/40/55/1381934055.db2.gz LEVWCOMVTWVVON-LJQANCHMSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC001159916722 1381936173 /nfs/dbraw/zinc/93/61/73/1381936173.db2.gz RFCBCUPOGBONHU-PXNSSMCTSA-N 2 1 343.515 3.251 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(Nc2nccnc2C[NH3+])nc1 ZINC001160249673 1382049308 /nfs/dbraw/zinc/04/93/08/1382049308.db2.gz BVRQWEPQDAEZAJ-MRXNPFEDSA-N 2 1 326.448 3.011 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001160274453 1382058302 /nfs/dbraw/zinc/05/83/02/1382058302.db2.gz SMFBSNULEVFCNA-RBUKOAKNSA-N 2 1 331.504 3.108 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160286525 1382062552 /nfs/dbraw/zinc/06/25/52/1382062552.db2.gz TYITVUKWFYZKRS-IBGZPJMESA-N 2 1 335.536 3.189 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001160286525 1382062559 /nfs/dbraw/zinc/06/25/59/1382062559.db2.gz TYITVUKWFYZKRS-IBGZPJMESA-N 2 1 335.536 3.189 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001160286525 1382062565 /nfs/dbraw/zinc/06/25/65/1382062565.db2.gz TYITVUKWFYZKRS-IBGZPJMESA-N 2 1 335.536 3.189 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353326 1382081436 /nfs/dbraw/zinc/08/14/36/1382081436.db2.gz RWUZBSURZNQGLH-FQEVSTJZSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160353326 1382081441 /nfs/dbraw/zinc/08/14/41/1382081441.db2.gz RWUZBSURZNQGLH-FQEVSTJZSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001160353326 1382081447 /nfs/dbraw/zinc/08/14/47/1382081447.db2.gz RWUZBSURZNQGLH-FQEVSTJZSA-N 2 1 349.563 3.149 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360288 1382082311 /nfs/dbraw/zinc/08/23/11/1382082311.db2.gz NJDHEDTWKIKOPA-AZUAARDMSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160360288 1382082318 /nfs/dbraw/zinc/08/23/18/1382082318.db2.gz NJDHEDTWKIKOPA-AZUAARDMSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160360288 1382082320 /nfs/dbraw/zinc/08/23/20/1382082320.db2.gz NJDHEDTWKIKOPA-AZUAARDMSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)C1 ZINC001160369232 1382086081 /nfs/dbraw/zinc/08/60/81/1382086081.db2.gz VKSSBZJCKUFFKM-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160400442 1382094613 /nfs/dbraw/zinc/09/46/13/1382094613.db2.gz QTGBRSKBPWEKRX-BBIZLLLXSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001160400442 1382094617 /nfs/dbraw/zinc/09/46/17/1382094617.db2.gz QTGBRSKBPWEKRX-BBIZLLLXSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001160400442 1382094624 /nfs/dbraw/zinc/09/46/24/1382094624.db2.gz QTGBRSKBPWEKRX-BBIZLLLXSA-N 2 1 347.547 3.356 20 0 EGADMP CC(C)[C@@H](C(=O)NCCC1=CC[N@@H+](CC2=CCCCC2)CC1)[NH+](C)C ZINC001160406100 1382095634 /nfs/dbraw/zinc/09/56/34/1382095634.db2.gz JVJBPKGVJDKAMG-FQEVSTJZSA-N 2 1 347.547 3.211 20 0 EGADMP COc1cc2cc[nH+]c(N[C@@H]3CC[NH2+]C[C@H]3C(F)(F)F)c2cc1F ZINC001160741704 1382183439 /nfs/dbraw/zinc/18/34/39/1382183439.db2.gz GCQSXBGGUQXBHX-DGCLKSJQSA-N 2 1 343.324 3.335 20 0 EGADMP C[NH+](C)C1(CC(=O)NCCC2=CC[N@@H+](CC3CCC3)CC2)CCCC1 ZINC001160804377 1382201762 /nfs/dbraw/zinc/20/17/62/1382201762.db2.gz JCYKALFYWSVLES-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)C1 ZINC001292812129 1382215876 /nfs/dbraw/zinc/21/58/76/1382215876.db2.gz WEDZFDQBCWBGQU-FQEVSTJZSA-N 2 1 345.531 3.007 20 0 EGADMP CC(C)C[C@@](C)([NH3+])C(=O)N(C)[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001160957863 1382251205 /nfs/dbraw/zinc/25/12/05/1382251205.db2.gz VGQZHOASNAHFRW-HFSMHLIXSA-N 2 1 345.531 3.119 20 0 EGADMP CC[N@H+]1CCCC[C@H]1c1ccc(-n2c(C[NH3+])cc3ccncc32)nc1 ZINC001160963037 1382252844 /nfs/dbraw/zinc/25/28/44/1382252844.db2.gz RIDCDHGZVWOVGA-SFHVURJKSA-N 2 1 335.455 3.426 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C(=O)N(C)C1(C)CC[NH2+]CC1)c1ccccc1 ZINC001161073677 1382291328 /nfs/dbraw/zinc/29/13/28/1382291328.db2.gz QOMUPGBUSLTBMR-LJQANCHMSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)N(C)C1(C)CC[NH2+]CC1)c1ccccc1 ZINC001161073676 1382291578 /nfs/dbraw/zinc/29/15/78/1382291578.db2.gz QOMUPGBUSLTBMR-IBGZPJMESA-N 2 1 345.531 3.450 20 0 EGADMP Clc1cc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c2c(n1)C[NH2+]CC2 ZINC001161187719 1382333779 /nfs/dbraw/zinc/33/37/79/1382333779.db2.gz VAUBBYCFLUOBQY-AWEZNQCLSA-N 2 1 334.895 3.057 20 0 EGADMP CC[C@@H](C(=O)NCCC1=CC[N@@H+](CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001161238910 1382351307 /nfs/dbraw/zinc/35/13/07/1382351307.db2.gz DSKBJNVMGMRNPE-IBGZPJMESA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H](C(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC001161383201 1382391590 /nfs/dbraw/zinc/39/15/90/1382391590.db2.gz MABGRVYZUNVIOP-GOSISDBHSA-N 2 1 347.547 3.189 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001161471587 1382417587 /nfs/dbraw/zinc/41/75/87/1382417587.db2.gz CVBNCOZXDHQMPT-UHFFFAOYSA-N 2 1 343.515 3.300 20 0 EGADMP COc1ccc2c[nH+]c(NC3(Cc4ccccn4)CC[NH2+]CC3)cc2c1 ZINC001161495384 1382422442 /nfs/dbraw/zinc/42/24/42/1382422442.db2.gz MEMZAZNECKDROF-UHFFFAOYSA-N 2 1 348.450 3.415 20 0 EGADMP CC(C)CCC[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001161518902 1382429947 /nfs/dbraw/zinc/42/99/47/1382429947.db2.gz SLGHPJMJDLHLRQ-UHFFFAOYSA-N 2 1 325.541 3.172 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161622318 1382462473 /nfs/dbraw/zinc/46/24/73/1382462473.db2.gz LRQGZMUBRKVEBE-SFHVURJKSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)[N@@H+]1CC=C(CCNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001161688063 1382481112 /nfs/dbraw/zinc/48/11/12/1382481112.db2.gz FQBPVELBEIGBAK-NRFANRHFSA-N 2 1 343.515 3.010 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161925019 1382556298 /nfs/dbraw/zinc/55/62/98/1382556298.db2.gz UFUNUMRUJYGELU-QZTJIDSGSA-N 2 1 335.536 3.188 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(N(CC[NH3+])c2cccc3ccccc32)nn1 ZINC001162004927 1382596565 /nfs/dbraw/zinc/59/65/65/1382596565.db2.gz MRKKBZDVSOHFGD-UHFFFAOYSA-N 2 1 344.422 3.221 20 0 EGADMP C[NH2+][C@H](C)CC[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC001328678839 1388805229 /nfs/dbraw/zinc/80/52/29/1388805229.db2.gz YXWBHSGJQOOEPY-CYBMUJFWSA-N 2 1 334.895 3.289 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H](Nc2nccc3c2CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001162392536 1382746138 /nfs/dbraw/zinc/74/61/38/1382746138.db2.gz GRNLDBZGAQJWIB-RTBURBONSA-N 2 1 336.483 3.322 20 0 EGADMP CCCC[NH2+]CCN(CCc1ccccc1)C(=O)C(C)(C)[N@@H+](C)CC ZINC001162847743 1382893448 /nfs/dbraw/zinc/89/34/48/1382893448.db2.gz ARQGRTIZTULFPV-UHFFFAOYSA-N 2 1 347.547 3.178 20 0 EGADMP Cc1cc(C)c2[nH+]c(NCC[C@@H]3CCOC34C[NH2+]C4)cc(C)c2c1 ZINC001163086337 1382962195 /nfs/dbraw/zinc/96/21/95/1382962195.db2.gz AHBXJSGLXQSJEM-MRXNPFEDSA-N 2 1 325.456 3.341 20 0 EGADMP Cc1[nH+]c2ccc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)cc2n1C(C)C ZINC001163283103 1383012604 /nfs/dbraw/zinc/01/26/04/1383012604.db2.gz DRJXFVGZCDWMTN-OXJNMPFZSA-N 2 1 342.487 3.496 20 0 EGADMP CC(C)[N@H+]1CC[C@H](Nc2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@@H](C)C1 ZINC001163371654 1383035882 /nfs/dbraw/zinc/03/58/82/1383035882.db2.gz RWRWPKSRQTUPOB-LPHOPBHVSA-N 3 1 346.519 3.085 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](Nc2cc(OC3CC[NH+](C)CC3)ccn2)[C@@H](C)C1 ZINC001163371654 1383035887 /nfs/dbraw/zinc/03/58/87/1383035887.db2.gz RWRWPKSRQTUPOB-LPHOPBHVSA-N 2 1 346.519 3.085 20 0 EGADMP CC(C)[N@H+]1CC[C@H](Nc2cc(OC3CC[NH+](C)CC3)ccn2)[C@@H](C)C1 ZINC001163371654 1383035890 /nfs/dbraw/zinc/03/58/90/1383035890.db2.gz RWRWPKSRQTUPOB-LPHOPBHVSA-N 2 1 346.519 3.085 20 0 EGADMP COCC[N@H+](C)[C@@H](CNc1cc(OC)cc[nH+]1)c1ccc(Cl)cc1 ZINC001163385134 1383037743 /nfs/dbraw/zinc/03/77/43/1383037743.db2.gz HWZXXDAPWPFZON-KRWDZBQOSA-N 2 1 349.862 3.475 20 0 EGADMP COCC[N@@H+](C)[C@@H](CNc1cc(OC)cc[nH+]1)c1ccc(Cl)cc1 ZINC001163385134 1383037749 /nfs/dbraw/zinc/03/77/49/1383037749.db2.gz HWZXXDAPWPFZON-KRWDZBQOSA-N 2 1 349.862 3.475 20 0 EGADMP CC[N@@H+]1CC=C(c2cnc(N[C@H]3C[NH+]4CCC3CC4)c(C)c2)CC1 ZINC001163385888 1383038638 /nfs/dbraw/zinc/03/86/38/1383038638.db2.gz JSBATQGRXAWGEX-IBGZPJMESA-N 2 1 326.488 3.005 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]1C[N@@H+](C)CCCC1CCCC1)C1CCC1 ZINC001328733915 1388832027 /nfs/dbraw/zinc/83/20/27/1388832027.db2.gz SFFNAPLJVDXBAK-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001328733915 1388832048 /nfs/dbraw/zinc/83/20/48/1388832048.db2.gz SFFNAPLJVDXBAK-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001328733915 1388832051 /nfs/dbraw/zinc/83/20/51/1388832051.db2.gz SFFNAPLJVDXBAK-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-n2nc(C)c(C[NH2+]C)c2C)nc1 ZINC001165153935 1383238231 /nfs/dbraw/zinc/23/82/31/1383238231.db2.gz PBDVPTBTCAQQAW-GOSISDBHSA-N 2 1 327.476 3.150 20 0 EGADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@@]4(C3)CCC[NH2+]C4)c12 ZINC001165238924 1383255666 /nfs/dbraw/zinc/25/56/66/1383255666.db2.gz JDQABAHRQCZZNH-IBGZPJMESA-N 2 1 325.460 3.126 20 0 EGADMP C[N@@H+]1CCC[C@H](CCNc2c[nH+]c3c(Br)cccn23)C1 ZINC001165289416 1383267073 /nfs/dbraw/zinc/26/70/73/1383267073.db2.gz ANVOJMCWADHTRG-GFCCVEGCSA-N 2 1 337.265 3.241 20 0 EGADMP C[N@H+]1CCC[C@H](CCNc2c[nH+]c3c(Br)cccn23)C1 ZINC001165289416 1383267075 /nfs/dbraw/zinc/26/70/75/1383267075.db2.gz ANVOJMCWADHTRG-GFCCVEGCSA-N 2 1 337.265 3.241 20 0 EGADMP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165728769 1383334039 /nfs/dbraw/zinc/33/40/39/1383334039.db2.gz UCTRWNJGJCJQHH-MOPGFXCFSA-N 2 1 349.563 3.316 20 0 EGADMP Cc1ccccc1CCC[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001166750258 1383471518 /nfs/dbraw/zinc/47/15/18/1383471518.db2.gz AEVMZIAHNGSYRI-UHFFFAOYSA-N 2 1 347.547 3.001 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC2(C[NH2+]CCCC(C)(C)C)CC2)C1 ZINC001167232547 1383570805 /nfs/dbraw/zinc/57/08/05/1383570805.db2.gz GXWHZUJCXUVGQP-QGZVFWFLSA-N 2 1 337.552 3.031 20 0 EGADMP C[C@@H]1CN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001167575758 1383675291 /nfs/dbraw/zinc/67/52/91/1383675291.db2.gz HRIBUAKISZNCFW-QIJUGHKUSA-N 2 1 336.479 3.316 20 0 EGADMP C[C@@H]1CN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001167575758 1383675295 /nfs/dbraw/zinc/67/52/95/1383675295.db2.gz HRIBUAKISZNCFW-QIJUGHKUSA-N 2 1 336.479 3.316 20 0 EGADMP Cc1cccc(C[NH2+]CCCNC(=O)CCn2cc[nH+]c2C(C)C)c1 ZINC001167580832 1383677743 /nfs/dbraw/zinc/67/77/43/1383677743.db2.gz KWMJLIRZYXTEOE-UHFFFAOYSA-N 2 1 342.487 3.001 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001167626930 1383692706 /nfs/dbraw/zinc/69/27/06/1383692706.db2.gz HUHBJEPFDMFFMU-IBGZPJMESA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001167634194 1383693783 /nfs/dbraw/zinc/69/37/83/1383693783.db2.gz GKHIDZBRNHLCKH-APWZRJJASA-N 2 1 349.494 3.246 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001167634207 1383694302 /nfs/dbraw/zinc/69/43/02/1383694302.db2.gz GKHIDZBRNHLCKH-VQIMIIECSA-N 2 1 349.494 3.246 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC001167634286 1383694408 /nfs/dbraw/zinc/69/44/08/1383694408.db2.gz HMBDCIFZZLKELW-HKUYNNGSSA-N 2 1 331.504 3.106 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001167636348 1383694772 /nfs/dbraw/zinc/69/47/72/1383694772.db2.gz SRHZOERXWAAZDT-QFBILLFUSA-N 2 1 349.494 3.246 20 0 EGADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(NCc3nccc4ccccc43)cn12 ZINC001167703389 1383717035 /nfs/dbraw/zinc/71/70/35/1383717035.db2.gz NPKHNZWSCUFMAC-UHFFFAOYSA-N 2 1 329.407 3.181 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCNc1ccnc2[nH]cc(C[NH+](C)C)c21 ZINC001167753137 1383730245 /nfs/dbraw/zinc/73/02/45/1383730245.db2.gz LGBVFDFIUSGNRF-HNNXBMFYSA-N 2 1 329.492 3.301 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC001167823298 1383749644 /nfs/dbraw/zinc/74/96/44/1383749644.db2.gz KHKMXADYVIFNCV-OXJNMPFZSA-N 2 1 329.488 3.093 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001167825975 1383750347 /nfs/dbraw/zinc/75/03/47/1383750347.db2.gz LXQJQXSOTNAPGO-GIVPXCGWSA-N 2 1 329.532 3.456 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]Cc2ccc(C)cc2C)CC1 ZINC001167835655 1383754182 /nfs/dbraw/zinc/75/41/82/1383754182.db2.gz KKOGZOVVVXCPBL-UHFFFAOYSA-N 2 1 345.531 3.021 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001167842811 1383757347 /nfs/dbraw/zinc/75/73/47/1383757347.db2.gz YYOAMXMNOAELJX-JKSUJKDBSA-N 2 1 327.513 3.396 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001167842811 1383757350 /nfs/dbraw/zinc/75/73/50/1383757350.db2.gz YYOAMXMNOAELJX-JKSUJKDBSA-N 2 1 327.513 3.396 20 0 EGADMP COc1ccccc1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963837 1383780044 /nfs/dbraw/zinc/78/00/44/1383780044.db2.gz FXEKRWQQXDRLEC-AYHJJNSGSA-N 2 1 330.472 3.069 20 0 EGADMP COc1ccc(O[C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167964056 1383780267 /nfs/dbraw/zinc/78/02/67/1383780267.db2.gz MGNYKZJHPHOLJE-BPIHKTFHSA-N 2 1 344.499 3.458 20 0 EGADMP C[NH+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167963772 1383780331 /nfs/dbraw/zinc/78/03/31/1383780331.db2.gz DAOMDAPKHWXRAG-SEJPIABJSA-N 3 1 327.516 3.243 20 0 EGADMP C[NH+](C)Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167963772 1383780338 /nfs/dbraw/zinc/78/03/38/1383780338.db2.gz DAOMDAPKHWXRAG-SEJPIABJSA-N 2 1 327.516 3.243 20 0 EGADMP C[NH+](C)Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167963772 1383780342 /nfs/dbraw/zinc/78/03/42/1383780342.db2.gz DAOMDAPKHWXRAG-SEJPIABJSA-N 2 1 327.516 3.243 20 0 EGADMP c1cc(C2OCCO2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973073 1383782719 /nfs/dbraw/zinc/78/27/19/1383782719.db2.gz FOEVEJDHHAPDQV-IHWFROFDSA-N 2 1 342.483 3.227 20 0 EGADMP CCOC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167972721 1383782782 /nfs/dbraw/zinc/78/27/82/1383782782.db2.gz AJEVQFFZWNUWJK-IHWFROFDSA-N 2 1 342.483 3.358 20 0 EGADMP C[C@@H]1CC([NH2+]CC(=O)N2CCCCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168009108 1383796103 /nfs/dbraw/zinc/79/61/03/1383796103.db2.gz GWVPUTHKCZKJEV-QZTJIDSGSA-N 2 1 343.515 3.030 20 0 EGADMP CC[N@H+]1CCCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168039366 1383801801 /nfs/dbraw/zinc/80/18/01/1383801801.db2.gz DOLJOPRWWRCGCK-RTBURBONSA-N 2 1 329.532 3.456 20 0 EGADMP COCC[NH+](CCOC)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168041329 1383803362 /nfs/dbraw/zinc/80/33/62/1383803362.db2.gz RXVPHWQTXMCNRP-OPVJXMOQSA-N 2 1 334.504 3.023 20 0 EGADMP COCC[NH+](CCOC)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168041329 1383803364 /nfs/dbraw/zinc/80/33/64/1383803364.db2.gz RXVPHWQTXMCNRP-OPVJXMOQSA-N 2 1 334.504 3.023 20 0 EGADMP CCNC(=O)[C@@H]1CCC[N@@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168067987 1383809327 /nfs/dbraw/zinc/80/93/27/1383809327.db2.gz VZSZPDHWEWCHRM-ZWOKBUDYSA-N 2 1 343.515 3.029 20 0 EGADMP CCNC(=O)[C@@H]1CCC[N@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168067987 1383809332 /nfs/dbraw/zinc/80/93/32/1383809332.db2.gz VZSZPDHWEWCHRM-ZWOKBUDYSA-N 2 1 343.515 3.029 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCc3ncc(C(F)(F)F)cc3C2)CC1 ZINC001168324624 1383873037 /nfs/dbraw/zinc/87/30/37/1383873037.db2.gz RUBKXOSPDHGYCK-UHFFFAOYSA-N 2 1 327.394 3.331 20 0 EGADMP CN(C[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1)C(=O)OC(C)(C)C ZINC001168326689 1383873282 /nfs/dbraw/zinc/87/32/82/1383873282.db2.gz DKTMWLVPUPGUPO-GTPINHCMSA-N 2 1 339.524 3.048 20 0 EGADMP C[NH+](C)C1CCC([N@@H+](C)CCCCNC(=O)OC(C)(C)C)CC1 ZINC001168328772 1383874013 /nfs/dbraw/zinc/87/40/13/1383874013.db2.gz KENUAWLXYIRAMQ-UHFFFAOYSA-N 2 1 327.513 3.096 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)CC1 ZINC001168328297 1383874397 /nfs/dbraw/zinc/87/43/97/1383874397.db2.gz DLMHETCLEXKQPD-UHFFFAOYSA-N 2 1 341.543 3.457 20 0 EGADMP CC(C)[N@H+](CCNC(=O)OC(C)(C)C)C1CC[NH+](CC2CC2)CC1 ZINC001168388025 1383891848 /nfs/dbraw/zinc/89/18/48/1383891848.db2.gz ZYEJHKOAMKUHBP-UHFFFAOYSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)C1CC[NH+](CC2CC2)CC1 ZINC001168388025 1383891852 /nfs/dbraw/zinc/89/18/52/1383891852.db2.gz ZYEJHKOAMKUHBP-UHFFFAOYSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)c1noc([C@@H]2CCC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)n1 ZINC001168387883 1383892036 /nfs/dbraw/zinc/89/20/36/1383892036.db2.gz XJTOBSWHAYCQON-MRXNPFEDSA-N 2 1 332.492 3.247 20 0 EGADMP CC(C)c1noc([C@@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)n1 ZINC001168387883 1383892037 /nfs/dbraw/zinc/89/20/37/1383892037.db2.gz XJTOBSWHAYCQON-MRXNPFEDSA-N 2 1 332.492 3.247 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168442948 1383906836 /nfs/dbraw/zinc/90/68/36/1383906836.db2.gz XYFUGHQPGRTJJT-LEWJYISDSA-N 2 1 346.490 3.258 20 0 EGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168442948 1383906840 /nfs/dbraw/zinc/90/68/40/1383906840.db2.gz XYFUGHQPGRTJJT-LEWJYISDSA-N 2 1 346.490 3.258 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168442948 1383906844 /nfs/dbraw/zinc/90/68/44/1383906844.db2.gz XYFUGHQPGRTJJT-LEWJYISDSA-N 2 1 346.490 3.258 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1cccc(C)c1 ZINC001168594801 1383944477 /nfs/dbraw/zinc/94/44/77/1383944477.db2.gz AGBGVCJEJGVRBK-UHFFFAOYSA-N 2 1 333.520 3.103 20 0 EGADMP COc1ccc([C@@H]2C[C@@H]([NH+]3CCC([NH+]4CCC4)CC3)CCO2)cc1 ZINC001168679303 1383968014 /nfs/dbraw/zinc/96/80/14/1383968014.db2.gz YUJYKGOGONJKBB-ICSRJNTNSA-N 2 1 330.472 3.085 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168736307 1383985974 /nfs/dbraw/zinc/98/59/74/1383985974.db2.gz XQPJHDFTILLLJT-SFHVURJKSA-N 2 1 349.950 3.157 20 0 EGADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1CCC[NH+](C)C1 ZINC001307487762 1383997046 /nfs/dbraw/zinc/99/70/46/1383997046.db2.gz CDYFCCPNPNFPQR-OAQYLSRUSA-N 3 1 329.532 3.446 20 0 EGADMP C[NH+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC001307487762 1383997050 /nfs/dbraw/zinc/99/70/50/1383997050.db2.gz CDYFCCPNPNFPQR-OAQYLSRUSA-N 3 1 329.532 3.446 20 0 EGADMP C[NH+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001307487762 1383997055 /nfs/dbraw/zinc/99/70/55/1383997055.db2.gz CDYFCCPNPNFPQR-OAQYLSRUSA-N 3 1 329.532 3.446 20 0 EGADMP CN(Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC001307487762 1383997060 /nfs/dbraw/zinc/99/70/60/1383997060.db2.gz CDYFCCPNPNFPQR-OAQYLSRUSA-N 2 1 329.532 3.446 20 0 EGADMP CN(Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001307487762 1383997065 /nfs/dbraw/zinc/99/70/65/1383997065.db2.gz CDYFCCPNPNFPQR-OAQYLSRUSA-N 2 1 329.532 3.446 20 0 EGADMP CN1CCC[C@@H](C[N@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001307487762 1383997070 /nfs/dbraw/zinc/99/70/70/1383997070.db2.gz CDYFCCPNPNFPQR-OAQYLSRUSA-N 2 1 329.532 3.446 20 0 EGADMP CN1CCC[C@@H](C[N@@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001307487762 1383997074 /nfs/dbraw/zinc/99/70/74/1383997074.db2.gz CDYFCCPNPNFPQR-OAQYLSRUSA-N 2 1 329.532 3.446 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@H]1CO ZINC001307951546 1384061940 /nfs/dbraw/zinc/06/19/40/1384061940.db2.gz KMEQGTRAXTZEPE-KNQAVFIVSA-N 2 1 344.543 3.282 20 0 EGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)c1cccc2ccccc21 ZINC001308089303 1384090760 /nfs/dbraw/zinc/09/07/60/1384090760.db2.gz LSOVAJBJKLGODS-VGSWGCGISA-N 2 1 347.462 3.479 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1Cc3ccc(Br)cc3C1)C2 ZINC001169096218 1384106514 /nfs/dbraw/zinc/10/65/14/1384106514.db2.gz VUOXRKMYPLETEV-VQHPVUNQSA-N 2 1 335.289 3.131 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]CC2CCCCC2)CC1 ZINC001308204105 1384108773 /nfs/dbraw/zinc/10/87/73/1384108773.db2.gz ZBHBTRXKEUJGNY-UHFFFAOYSA-N 2 1 329.532 3.494 20 0 EGADMP COc1ccc([C@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC001169141742 1384113106 /nfs/dbraw/zinc/11/31/06/1384113106.db2.gz SCTMBWMSJNEBRG-XMTFNYHQSA-N 2 1 330.472 3.466 20 0 EGADMP COc1ccc([C@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC001169141742 1384113108 /nfs/dbraw/zinc/11/31/08/1384113108.db2.gz SCTMBWMSJNEBRG-XMTFNYHQSA-N 2 1 330.472 3.466 20 0 EGADMP COC(=O)c1cccc(C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001169152709 1384115778 /nfs/dbraw/zinc/11/57/78/1384115778.db2.gz DMXXPRAKKJBCJV-ACDBMABISA-N 2 1 342.483 3.278 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001169153645 1384116436 /nfs/dbraw/zinc/11/64/36/1384116436.db2.gz KQGAQHSRWXDOHR-RTOMLYRKSA-N 2 1 339.527 3.066 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001169153645 1384116438 /nfs/dbraw/zinc/11/64/38/1384116438.db2.gz KQGAQHSRWXDOHR-RTOMLYRKSA-N 2 1 339.527 3.066 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001169153645 1384116439 /nfs/dbraw/zinc/11/64/39/1384116439.db2.gz KQGAQHSRWXDOHR-RTOMLYRKSA-N 2 1 339.527 3.066 20 0 EGADMP CCN1CCC([N@@H+](Cc2cccc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241530 1384126532 /nfs/dbraw/zinc/12/65/32/1384126532.db2.gz OKKVWNRKWJFINV-WGSAOQKQSA-N 2 1 345.531 3.251 20 0 EGADMP CC[NH+]1CCC([N@H+](Cc2cccc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241530 1384126533 /nfs/dbraw/zinc/12/65/33/1384126533.db2.gz OKKVWNRKWJFINV-WGSAOQKQSA-N 3 1 345.531 3.251 20 0 EGADMP CC[NH+]1CCC([N@@H+](Cc2cccc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241530 1384126534 /nfs/dbraw/zinc/12/65/34/1384126534.db2.gz OKKVWNRKWJFINV-WGSAOQKQSA-N 3 1 345.531 3.251 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169280598 1384131599 /nfs/dbraw/zinc/13/15/99/1384131599.db2.gz UCHUPDUVGRZANM-XBMUEBEBSA-N 2 1 330.472 3.229 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001169459225 1384150226 /nfs/dbraw/zinc/15/02/26/1384150226.db2.gz NENLRWFAUVBRQB-GOSISDBHSA-N 2 1 345.531 3.278 20 0 EGADMP CC(=O)N1CCC[C@@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169595885 1384163587 /nfs/dbraw/zinc/16/35/87/1384163587.db2.gz IRNQNFJJXPQBDK-VAMGGRTRSA-N 2 1 335.536 3.150 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)cc1C ZINC001169811834 1384188023 /nfs/dbraw/zinc/18/80/23/1384188023.db2.gz YDTMMYRBYAQFNH-UYAOXDASSA-N 2 1 345.531 3.162 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)[C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169924554 1384199171 /nfs/dbraw/zinc/19/91/71/1384199171.db2.gz MWELSPYLKBISJX-UFYCRDLUSA-N 2 1 344.499 3.444 20 0 EGADMP CC1(C)CC([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CC(C)(C)N1O ZINC001169984745 1384210994 /nfs/dbraw/zinc/21/09/94/1384210994.db2.gz SFKAMSQWRFWNHO-UHFFFAOYSA-N 2 1 349.494 3.486 20 0 EGADMP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(OC)cc3)CC2)CCO1 ZINC001170182623 1384257085 /nfs/dbraw/zinc/25/70/85/1384257085.db2.gz NTSLBUSPNWWKSS-PMACEKPBSA-N 2 1 346.515 3.249 20 0 EGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001170433162 1384317832 /nfs/dbraw/zinc/31/78/32/1384317832.db2.gz XQKRWHYMYDIZSJ-KRWDZBQOSA-N 2 1 330.472 3.297 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001170749891 1384377625 /nfs/dbraw/zinc/37/76/25/1384377625.db2.gz DHDADQJLWYBZHE-ZWKOTPCHSA-N 2 1 325.541 3.170 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCCC(C)C ZINC001170784847 1384384395 /nfs/dbraw/zinc/38/43/95/1384384395.db2.gz LPJBBOLGQKQVJE-SFHVURJKSA-N 2 1 325.541 3.173 20 0 EGADMP Brc1ccc2c(c1)C[C@H]([N@H+]1CCc3[nH+]ccn3CC1)CC2 ZINC001170884346 1384404390 /nfs/dbraw/zinc/40/43/90/1384404390.db2.gz IFZJMZJNQFCPHG-MRXNPFEDSA-N 2 1 346.272 3.061 20 0 EGADMP Brc1ccc2c(c1)C[C@H]([N@@H+]1CCc3[nH+]ccn3CC1)CC2 ZINC001170884346 1384404393 /nfs/dbraw/zinc/40/43/93/1384404393.db2.gz IFZJMZJNQFCPHG-MRXNPFEDSA-N 2 1 346.272 3.061 20 0 EGADMP COc1cc2[nH+]ccn2cc1-n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001171101300 1384445912 /nfs/dbraw/zinc/44/59/12/1384445912.db2.gz YVQBOLUMFLCGAF-ZDUSSCGKSA-N 2 1 332.407 3.103 20 0 EGADMP CC[NH+](CC)Cc1c(Br)cccc1NCC(C)(C)[NH3+] ZINC001171193912 1384465429 /nfs/dbraw/zinc/46/54/29/1384465429.db2.gz GYJQAUXFJIVSRS-UHFFFAOYSA-N 2 1 328.298 3.440 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171248392 1384478261 /nfs/dbraw/zinc/47/82/61/1384478261.db2.gz UEJYIHRSDBCPKA-YLJYHZDGSA-N 2 1 349.563 3.458 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171280817 1384484520 /nfs/dbraw/zinc/48/45/20/1384484520.db2.gz DPOLKDCPGPGLTE-YOFSQIOKSA-N 2 1 343.515 3.096 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3c(C)cccc3C2)CC1 ZINC001171571413 1384567008 /nfs/dbraw/zinc/56/70/08/1384567008.db2.gz XRKCNVDHKDRYNH-NHCUHLMSSA-N 2 1 342.527 3.428 20 0 EGADMP CCCOc1cccnc1C(=[NH2+])NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171626798 1384584516 /nfs/dbraw/zinc/58/45/16/1384584516.db2.gz BNUVIUBFCBJYSU-UHFFFAOYSA-N 2 1 332.492 3.437 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CCCN(c3ccc(F)cn3)CC2)CC1(C)C ZINC001171628556 1384585081 /nfs/dbraw/zinc/58/50/81/1384585081.db2.gz ASWVZGPBHHSJPS-UHFFFAOYSA-N 2 1 348.510 3.384 20 0 EGADMP CN(CC[N@H+](C)C1CC(C)(C)[NH+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC001171629150 1384585911 /nfs/dbraw/zinc/58/59/11/1384585911.db2.gz NUMBATGSEAVGSL-UHFFFAOYSA-N 2 1 341.540 3.437 20 0 EGADMP CN(CC[N@@H+](C)C1CC(C)(C)[NH+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC001171629150 1384585914 /nfs/dbraw/zinc/58/59/14/1384585914.db2.gz NUMBATGSEAVGSL-UHFFFAOYSA-N 2 1 341.540 3.437 20 0 EGADMP CC(C)C(=O)N1CCC[C@]12CC[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171637442 1384588349 /nfs/dbraw/zinc/58/83/49/1384588349.db2.gz NSCSFEOUULEWNU-OAQYLSRUSA-N 2 1 349.563 3.361 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc2ccccc2c1 ZINC001171731336 1384616991 /nfs/dbraw/zinc/61/69/91/1384616991.db2.gz CODLSENFGZLUMT-UHFFFAOYSA-N 2 1 341.499 3.168 20 0 EGADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171732691 1384618349 /nfs/dbraw/zinc/61/83/49/1384618349.db2.gz LETLTBJKSDXYMW-ZJOUEHCJSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171732691 1384618351 /nfs/dbraw/zinc/61/83/51/1384618351.db2.gz LETLTBJKSDXYMW-ZJOUEHCJSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](N2CC[C@@H]([NH+]3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171759408 1384627646 /nfs/dbraw/zinc/62/76/46/1384627646.db2.gz JIXOWKZWUNZRLK-NRSPTQNISA-N 2 1 327.516 3.210 20 0 EGADMP C[C@@H]1C[C@@H](N2CCC[C@@H]2C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171765269 1384629683 /nfs/dbraw/zinc/62/96/83/1384629683.db2.gz XNGZNAPDCLUCST-HMXCVIKNSA-N 2 1 327.516 3.210 20 0 EGADMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)[C@H]1Cc2cccc(F)c2C1 ZINC001171797718 1384640926 /nfs/dbraw/zinc/64/09/26/1384640926.db2.gz BFSQUYJPVHTDHK-IRXDYDNUSA-N 2 1 346.490 3.305 20 0 EGADMP CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171961654 1384696685 /nfs/dbraw/zinc/69/66/85/1384696685.db2.gz ACWZFWWQUCZCQP-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP COC(CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC001171975574 1384700315 /nfs/dbraw/zinc/70/03/15/1384700315.db2.gz MDITVZZOLCXKBY-SFHVURJKSA-N 2 1 334.504 3.418 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC(C4COC4)C2)C3)cc1 ZINC001172079215 1384721362 /nfs/dbraw/zinc/72/13/62/1384721362.db2.gz MZZRSDNJJUHVTR-AERCQKQUSA-N 2 1 326.484 3.150 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC([NH3+])(Cc3ccc(F)cc3)CC1)C2 ZINC001172109032 1384727992 /nfs/dbraw/zinc/72/79/92/1384727992.db2.gz BNKZQRGSYVMPKR-PMOLBWCYSA-N 2 1 345.506 3.177 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cn(Cc3ccc(F)cc3)cn1)C2 ZINC001172112485 1384729094 /nfs/dbraw/zinc/72/90/94/1384729094.db2.gz WKURSPMBAHNQTG-FNLKRUPLSA-N 2 1 342.462 3.175 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cn(Cc3ccc(F)cc3)cn1)C2 ZINC001172112485 1384729098 /nfs/dbraw/zinc/72/90/98/1384729098.db2.gz WKURSPMBAHNQTG-FNLKRUPLSA-N 2 1 342.462 3.175 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]3[C@@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172120519 1384735055 /nfs/dbraw/zinc/73/50/55/1384735055.db2.gz LCOIPARFOJGZPS-PNKHAZJDSA-N 2 1 349.519 3.085 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]3[C@@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172120519 1384735057 /nfs/dbraw/zinc/73/50/57/1384735057.db2.gz LCOIPARFOJGZPS-PNKHAZJDSA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]3[C@@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172120519 1384735059 /nfs/dbraw/zinc/73/50/59/1384735059.db2.gz LCOIPARFOJGZPS-PNKHAZJDSA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]3[C@@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172120519 1384735060 /nfs/dbraw/zinc/73/50/60/1384735060.db2.gz LCOIPARFOJGZPS-PNKHAZJDSA-N 2 1 349.519 3.085 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(CC(=O)OC(C)(C)C)CC1)C2 ZINC001172128070 1384735798 /nfs/dbraw/zinc/73/57/98/1384735798.db2.gz NXZVFWSQEUHFJW-PIIMJCKOSA-N 2 1 336.520 3.446 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(CC(=O)OC(C)(C)C)CC1)C2 ZINC001172128070 1384735800 /nfs/dbraw/zinc/73/58/00/1384735800.db2.gz NXZVFWSQEUHFJW-PIIMJCKOSA-N 2 1 336.520 3.446 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(CC(=O)OC(C)(C)C)CC1)C2 ZINC001172128069 1384736109 /nfs/dbraw/zinc/73/61/09/1384736109.db2.gz NXZVFWSQEUHFJW-BCDXTJNWSA-N 2 1 336.520 3.446 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(CC(=O)OC(C)(C)C)CC1)C2 ZINC001172128069 1384736111 /nfs/dbraw/zinc/73/61/11/1384736111.db2.gz NXZVFWSQEUHFJW-BCDXTJNWSA-N 2 1 336.520 3.446 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@@H]3CC[C@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172130385 1384737240 /nfs/dbraw/zinc/73/72/40/1384737240.db2.gz OMSSZAFESCPETL-ADHGMGHFSA-N 2 1 349.519 3.085 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@@H]3CC[C@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172130385 1384737244 /nfs/dbraw/zinc/73/72/44/1384737244.db2.gz OMSSZAFESCPETL-ADHGMGHFSA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@@H]3CC[C@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172130385 1384737246 /nfs/dbraw/zinc/73/72/46/1384737246.db2.gz OMSSZAFESCPETL-ADHGMGHFSA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@@H]3CC[C@H]1CN3C(=O)OC(C)(C)C)C2 ZINC001172130385 1384737250 /nfs/dbraw/zinc/73/72/50/1384737250.db2.gz OMSSZAFESCPETL-ADHGMGHFSA-N 2 1 349.519 3.085 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)O5)C[C@@H]3C2)cc1 ZINC001172225524 1384751659 /nfs/dbraw/zinc/75/16/59/1384751659.db2.gz VMHXCVFJIVVBPL-OBKBHFTKSA-N 2 1 326.484 3.069 20 0 EGADMP COCCC[NH+]1CCC([NH2+]C2(Cc3ccccc3F)CCC2)CC1 ZINC001172248874 1384755767 /nfs/dbraw/zinc/75/57/67/1384755767.db2.gz RFXUEGOFOBMSIW-UHFFFAOYSA-N 2 1 334.479 3.381 20 0 EGADMP CCCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC(CC)CC)CC1 ZINC001317004235 1384763195 /nfs/dbraw/zinc/76/31/95/1384763195.db2.gz QLABBPVOBVXVSI-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@@H](CC(C)C)[NH2+]C1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001172395076 1384783535 /nfs/dbraw/zinc/78/35/35/1384783535.db2.gz IOIZTIHWNDVOCV-HNNXBMFYSA-N 2 1 327.513 3.129 20 0 EGADMP CCOCC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC001172413555 1384787071 /nfs/dbraw/zinc/78/70/71/1384787071.db2.gz AUNXXXTYDULIJV-QGZVFWFLSA-N 2 1 334.504 3.107 20 0 EGADMP CC(C)OCC[C@H](C)[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001172448180 1384793820 /nfs/dbraw/zinc/79/38/20/1384793820.db2.gz AEGRPQFXNLTXSK-YSIASYRMSA-N 2 1 338.536 3.013 20 0 EGADMP CC(C)OCC[C@H](C)[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001172448180 1384793822 /nfs/dbraw/zinc/79/38/22/1384793822.db2.gz AEGRPQFXNLTXSK-YSIASYRMSA-N 2 1 338.536 3.013 20 0 EGADMP CC(C)OCC[C@H](C)[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001172448180 1384793824 /nfs/dbraw/zinc/79/38/24/1384793824.db2.gz AEGRPQFXNLTXSK-YSIASYRMSA-N 2 1 338.536 3.013 20 0 EGADMP CC(C)COCC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001172458004 1384797220 /nfs/dbraw/zinc/79/72/20/1384797220.db2.gz UXTOMUAFCMDIOG-SFHVURJKSA-N 2 1 334.504 3.060 20 0 EGADMP CCCCCC[C@@H](CCCC)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001172516037 1384808253 /nfs/dbraw/zinc/80/82/53/1384808253.db2.gz FRMJFAXRZJWTDC-GOSISDBHSA-N 2 1 325.541 3.269 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172562089 1384812338 /nfs/dbraw/zinc/81/23/38/1384812338.db2.gz UFNQZHWJXPHKEA-MXEMCNAFSA-N 2 1 327.516 3.033 20 0 EGADMP CC1(C)CC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC(C)(C)O1 ZINC001172644323 1384825558 /nfs/dbraw/zinc/82/55/58/1384825558.db2.gz NRTGAQYUSZRGIR-UHFFFAOYSA-N 2 1 346.515 3.345 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)(C)C ZINC001317098023 1384860709 /nfs/dbraw/zinc/86/07/09/1384860709.db2.gz KEOUPPSGHYKJPB-AYHJJNSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C ZINC001317098023 1384860711 /nfs/dbraw/zinc/86/07/11/1384860711.db2.gz KEOUPPSGHYKJPB-AYHJJNSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)(C)C ZINC001317098023 1384860712 /nfs/dbraw/zinc/86/07/12/1384860712.db2.gz KEOUPPSGHYKJPB-AYHJJNSGSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172952139 1384888766 /nfs/dbraw/zinc/88/87/66/1384888766.db2.gz ZOJRUNVNGQZUPM-NXOAAHMSSA-N 2 1 339.524 3.237 20 0 EGADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172952139 1384888771 /nfs/dbraw/zinc/88/87/71/1384888771.db2.gz ZOJRUNVNGQZUPM-NXOAAHMSSA-N 2 1 339.524 3.237 20 0 EGADMP CCCC[N@H+](CC)CC[NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172994678 1384896086 /nfs/dbraw/zinc/89/60/86/1384896086.db2.gz ZQEWRPJUIQJHPJ-UHFFFAOYSA-N 2 1 349.494 3.142 20 0 EGADMP CCCC[N@@H+](CC)CC[NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172994678 1384896096 /nfs/dbraw/zinc/89/60/96/1384896096.db2.gz ZQEWRPJUIQJHPJ-UHFFFAOYSA-N 2 1 349.494 3.142 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC001173042279 1384898703 /nfs/dbraw/zinc/89/87/03/1384898703.db2.gz MAHXUEMBXNEWPX-AERCQKQUSA-N 2 1 340.511 3.446 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC001173042279 1384898706 /nfs/dbraw/zinc/89/87/06/1384898706.db2.gz MAHXUEMBXNEWPX-AERCQKQUSA-N 2 1 340.511 3.446 20 0 EGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173055164 1384903012 /nfs/dbraw/zinc/90/30/12/1384903012.db2.gz RKUGXTVUOYSJPD-DLBZAZTESA-N 2 1 341.540 3.486 20 0 EGADMP C[C@H]1CC[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC001173067567 1384906003 /nfs/dbraw/zinc/90/60/03/1384906003.db2.gz BWMNCHHDKUQZRH-DOTOQJQBSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001173089474 1384911739 /nfs/dbraw/zinc/91/17/39/1384911739.db2.gz WTPDDIFRRUPIKV-YUELXQCFSA-N 2 1 328.378 3.010 20 0 EGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001173089474 1384911742 /nfs/dbraw/zinc/91/17/42/1384911742.db2.gz WTPDDIFRRUPIKV-YUELXQCFSA-N 2 1 328.378 3.010 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC1 ZINC001173111947 1384916776 /nfs/dbraw/zinc/91/67/76/1384916776.db2.gz SNUAOMOQPIKPIX-GUMHCPJTSA-N 2 1 347.547 3.115 20 0 EGADMP CCOC[C@@H]1C[N@H+](C2CCC([NH+](CC)CC)CC2)Cc2c1cnn2C ZINC001173110965 1384917120 /nfs/dbraw/zinc/91/71/20/1384917120.db2.gz LTCFEJPQUPRUSR-AOCRQIFASA-N 2 1 348.535 3.009 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](Oc3ccnc(OC)c3)C2)CC1 ZINC001173113072 1384917488 /nfs/dbraw/zinc/91/74/88/1384917488.db2.gz GTPBODZPWZRXIY-FAFZWHIHSA-N 2 1 347.503 3.196 20 0 EGADMP CC[NH+](CC)C1CCC([N@@H+]2Cc3ccccc3C[C@@H]2C(=O)OC)CC1 ZINC001173113617 1384917518 /nfs/dbraw/zinc/91/75/18/1384917518.db2.gz XKXKGYRIJKHZQV-SOAGJPPSSA-N 2 1 344.499 3.239 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2Cc3ccccc3C[C@@H]2C(=O)OC)CC1 ZINC001173113617 1384917523 /nfs/dbraw/zinc/91/75/23/1384917523.db2.gz XKXKGYRIJKHZQV-SOAGJPPSSA-N 2 1 344.499 3.239 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317170741 1384937059 /nfs/dbraw/zinc/93/70/59/1384937059.db2.gz GXNRMBUPASNECW-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP COC(=O)CCCC[C@H](C)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173443808 1384971294 /nfs/dbraw/zinc/97/12/94/1384971294.db2.gz CVNHCNKGIXGGIS-WDSOQIARSA-N 2 1 347.503 3.275 20 0 EGADMP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CCC[N@@H+](C)CCO ZINC001173547496 1384981458 /nfs/dbraw/zinc/98/14/58/1384981458.db2.gz QXSASFJLQNPEML-CYBMUJFWSA-N 2 1 333.303 3.218 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@@H](N(c2cccc(C)[nH+]2)C2CC[NH2+]CC2)C1 ZINC001173662837 1384999055 /nfs/dbraw/zinc/99/90/55/1384999055.db2.gz CCELPRWSVCCHHU-FUHWJXTLSA-N 2 1 345.487 3.070 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001173724435 1385010251 /nfs/dbraw/zinc/01/02/51/1385010251.db2.gz ZBOLCWRQQHVJGO-UDTPNQRGSA-N 2 1 330.472 3.009 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001173724435 1385010254 /nfs/dbraw/zinc/01/02/54/1385010254.db2.gz ZBOLCWRQQHVJGO-UDTPNQRGSA-N 2 1 330.472 3.009 20 0 EGADMP CC(=O)Oc1ccc(C2CCC([NH2+]C[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001173781553 1385016041 /nfs/dbraw/zinc/01/60/41/1385016041.db2.gz MEYCKIDHHIQNDO-LRYGQEGESA-N 2 1 330.472 3.179 20 0 EGADMP C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH2+]CC1CCCCC1 ZINC001317255111 1385025997 /nfs/dbraw/zinc/02/59/97/1385025997.db2.gz LGYKSSVDBJCPTJ-QGZVFWFLSA-N 2 1 337.552 3.316 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC/C=C\c1ccccc1)[NH+](C)C ZINC001317513023 1385226224 /nfs/dbraw/zinc/22/62/24/1385226224.db2.gz RCZOBWXRZVMODE-YFLQNJEDSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175257265 1385231667 /nfs/dbraw/zinc/23/16/67/1385231667.db2.gz XYNQJSOOWAODHS-ROUUACIJSA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001175387991 1385272510 /nfs/dbraw/zinc/27/25/10/1385272510.db2.gz FMBPMUVADODAJW-RLLQIKCJSA-N 2 1 345.531 3.005 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1ccc(F)cc1 ZINC001317539958 1385275902 /nfs/dbraw/zinc/27/59/02/1385275902.db2.gz CILDJDNYECCCIC-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)Cc1ccc(F)cc1 ZINC001317539958 1385275907 /nfs/dbraw/zinc/27/59/07/1385275907.db2.gz CILDJDNYECCCIC-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)Cc1ccc(F)cc1 ZINC001317539958 1385275909 /nfs/dbraw/zinc/27/59/09/1385275909.db2.gz CILDJDNYECCCIC-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175527990 1385321418 /nfs/dbraw/zinc/32/14/18/1385321418.db2.gz ACNLHPRKZFTLPT-IRXDYDNUSA-N 2 1 336.524 3.317 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)CCCC[NH2+]CCCF ZINC001175564706 1385333460 /nfs/dbraw/zinc/33/34/60/1385333460.db2.gz DNEOVFVBSYPDLE-MRXNPFEDSA-N 2 1 340.487 3.021 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC001335970469 1388979186 /nfs/dbraw/zinc/97/91/86/1388979186.db2.gz JHGJWUSQFCEOJH-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001175704087 1385378657 /nfs/dbraw/zinc/37/86/57/1385378657.db2.gz RJPPUFJDJYRYIU-MRXNPFEDSA-N 2 1 334.508 3.036 20 0 EGADMP CCCN(C(=O)C[NH+](C)CCC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001317769723 1385460622 /nfs/dbraw/zinc/46/06/22/1385460622.db2.gz JCEZTNDCFYQMHD-QUCCMNQESA-N 2 1 345.531 3.402 20 0 EGADMP CCCN(C(=O)C[N@H+](C)CCC)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001317769723 1385460624 /nfs/dbraw/zinc/46/06/24/1385460624.db2.gz JCEZTNDCFYQMHD-QUCCMNQESA-N 2 1 345.531 3.402 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CCC)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001317769723 1385460625 /nfs/dbraw/zinc/46/06/25/1385460625.db2.gz JCEZTNDCFYQMHD-QUCCMNQESA-N 2 1 345.531 3.402 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1csc(C)c1 ZINC001176024125 1385464090 /nfs/dbraw/zinc/46/40/90/1385464090.db2.gz LPCIPWIRYWZOOJ-OAHLLOKOSA-N 2 1 339.549 3.163 20 0 EGADMP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176165465 1385500727 /nfs/dbraw/zinc/50/07/27/1385500727.db2.gz MPNXPDLGJNIYLR-IEBWSBKVSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176166527 1385501172 /nfs/dbraw/zinc/50/11/72/1385501172.db2.gz RVWRMVLDPFZABT-ZWKOTPCHSA-N 2 1 349.563 3.173 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(CC)c1 ZINC001176277464 1385536130 /nfs/dbraw/zinc/53/61/30/1385536130.db2.gz FNLSKHUIINMNRJ-GOSISDBHSA-N 2 1 347.547 3.355 20 0 EGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001176281535 1385537929 /nfs/dbraw/zinc/53/79/29/1385537929.db2.gz OCFGFZACISIHQY-ACJLOTCBSA-N 2 1 349.837 3.118 20 0 EGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001176281535 1385537932 /nfs/dbraw/zinc/53/79/32/1385537932.db2.gz OCFGFZACISIHQY-ACJLOTCBSA-N 2 1 349.837 3.118 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001176284739 1385539037 /nfs/dbraw/zinc/53/90/37/1385539037.db2.gz JROBPGOOPOJXMU-JKSUJKDBSA-N 2 1 347.494 3.028 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001176286036 1385540089 /nfs/dbraw/zinc/54/00/89/1385540089.db2.gz SMFSYWIPPSZVSI-FXAWDEMLSA-N 2 1 345.531 3.280 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCCc1ccccc1 ZINC001176293175 1385541479 /nfs/dbraw/zinc/54/14/79/1385541479.db2.gz OPFXPUXVCGRAAC-LJQANCHMSA-N 2 1 347.547 3.226 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001176754383 1385683828 /nfs/dbraw/zinc/68/38/28/1385683828.db2.gz UHQCLDVIMZSELI-FXAWDEMLSA-N 2 1 345.531 3.279 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001176753637 1385683927 /nfs/dbraw/zinc/68/39/27/1385683927.db2.gz JFFXKDSYMXHACR-INIZCTEOSA-N 2 1 325.541 3.027 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001176754484 1385685032 /nfs/dbraw/zinc/68/50/32/1385685032.db2.gz WSHDBIILQOMQFD-LJQANCHMSA-N 2 1 347.547 3.408 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001318487946 1385720087 /nfs/dbraw/zinc/72/00/87/1385720087.db2.gz YEYVFGPATITGHD-SLFFLAALSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001318487946 1385720090 /nfs/dbraw/zinc/72/00/90/1385720090.db2.gz YEYVFGPATITGHD-SLFFLAALSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001318487946 1385720093 /nfs/dbraw/zinc/72/00/93/1385720093.db2.gz YEYVFGPATITGHD-SLFFLAALSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001176975725 1385761260 /nfs/dbraw/zinc/76/12/60/1385761260.db2.gz VXSQTGSMUHNZOW-KRWDZBQOSA-N 2 1 347.547 3.481 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001177226208 1385875393 /nfs/dbraw/zinc/87/53/93/1385875393.db2.gz NAQXBABJCPJSMF-HNNXBMFYSA-N 2 1 334.533 3.016 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001177226208 1385875400 /nfs/dbraw/zinc/87/54/00/1385875400.db2.gz NAQXBABJCPJSMF-HNNXBMFYSA-N 2 1 334.533 3.016 20 0 EGADMP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001177317387 1385911886 /nfs/dbraw/zinc/91/18/86/1385911886.db2.gz VVLANKHYEYBVQQ-LJQANCHMSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001177440684 1385958285 /nfs/dbraw/zinc/95/82/85/1385958285.db2.gz PKKSSBQKMQLYHY-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1cc(N2CCC(Nc3c(C)c[nH+]c4ccccc43)CC2)nc(C)[nH+]1 ZINC001319213171 1386008259 /nfs/dbraw/zinc/00/82/59/1386008259.db2.gz YRMSXHQPYWEBLE-UHFFFAOYSA-N 2 1 347.466 3.453 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCC1 ZINC001319363379 1386080963 /nfs/dbraw/zinc/08/09/63/1386080963.db2.gz ZFPFFGCIOWHPHJ-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP CC(C)[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCCC1 ZINC001319372593 1386086794 /nfs/dbraw/zinc/08/67/94/1386086794.db2.gz NJQFJCQPYRKAHZ-SFHVURJKSA-N 2 1 335.536 3.211 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCCC1 ZINC001698635139 1406279524 /nfs/dbraw/zinc/27/95/24/1406279524.db2.gz ZBEXMCWFKWVWFA-MSOLQXFVSA-N 2 1 337.552 3.029 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001178526806 1386240877 /nfs/dbraw/zinc/24/08/77/1386240877.db2.gz CVVYBZYPLZXCAG-FGTMMUONSA-N 2 1 325.541 3.029 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001178687998 1386277892 /nfs/dbraw/zinc/27/78/92/1386277892.db2.gz BJNHKOMKTLAMHW-RTBURBONSA-N 2 1 339.568 3.277 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001178692999 1386279541 /nfs/dbraw/zinc/27/95/41/1386279541.db2.gz GRRAMRFCWZHOHL-LJQANCHMSA-N 2 1 337.552 3.316 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC001319755259 1386282882 /nfs/dbraw/zinc/28/28/82/1386282882.db2.gz OTTAOZFHZZCNRX-MJGOQNOKSA-N 2 1 326.488 3.314 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC001319755259 1386282886 /nfs/dbraw/zinc/28/28/86/1386282886.db2.gz OTTAOZFHZZCNRX-MJGOQNOKSA-N 2 1 326.488 3.314 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]Cc1ccc(C)cc1 ZINC001178854199 1386329377 /nfs/dbraw/zinc/32/93/77/1386329377.db2.gz YKGLFHAJJFPKAU-UHFFFAOYSA-N 2 1 347.547 3.492 20 0 EGADMP CC(C)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001178921061 1386349897 /nfs/dbraw/zinc/34/98/97/1386349897.db2.gz VDLBSXHIVVNHMY-GOSISDBHSA-N 2 1 325.541 3.029 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001319999835 1386444187 /nfs/dbraw/zinc/44/41/87/1386444187.db2.gz MDEBMUGBTLFQDL-APWZRJJASA-N 2 1 349.494 3.150 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001319999835 1386444189 /nfs/dbraw/zinc/44/41/89/1386444189.db2.gz MDEBMUGBTLFQDL-APWZRJJASA-N 2 1 349.494 3.150 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001179362034 1386464278 /nfs/dbraw/zinc/46/42/78/1386464278.db2.gz UNKQRKHLKJJVQV-HXUWFJFHSA-N 2 1 349.563 3.460 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001320041233 1386469379 /nfs/dbraw/zinc/46/93/79/1386469379.db2.gz AXKOHJNWYSNZIG-AZUAARDMSA-N 2 1 347.547 3.341 20 0 EGADMP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001179388442 1386471252 /nfs/dbraw/zinc/47/12/52/1386471252.db2.gz GVOFPPPCQNNAJI-TYTUHHLSSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001179591515 1386526803 /nfs/dbraw/zinc/52/68/03/1386526803.db2.gz VYRKFLIRVAACII-IEBWSBKVSA-N 2 1 349.563 3.031 20 0 EGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001320138101 1386532209 /nfs/dbraw/zinc/53/22/09/1386532209.db2.gz WVOGJYYMQRLXCC-YESZJQIVSA-N 2 1 339.524 3.238 20 0 EGADMP CC(C)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179634497 1386537103 /nfs/dbraw/zinc/53/71/03/1386537103.db2.gz VJUXJFXRDRYUNW-BZSNNMDCSA-N 2 1 348.535 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCCCCC[NH2+]CC1CC(C)C1 ZINC001179714130 1386561833 /nfs/dbraw/zinc/56/18/33/1386561833.db2.gz GQSJILBSGBVBCP-UHFFFAOYSA-N 2 1 348.535 3.319 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1cc(C)ccc1C ZINC001179988722 1386659908 /nfs/dbraw/zinc/65/99/08/1386659908.db2.gz KZTNHYVRIATKAO-UHFFFAOYSA-N 2 1 347.547 3.411 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001179988755 1386660023 /nfs/dbraw/zinc/66/00/23/1386660023.db2.gz LYADNHRLEWJLOD-UHFFFAOYSA-N 2 1 327.557 3.421 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001180060932 1386683645 /nfs/dbraw/zinc/68/36/45/1386683645.db2.gz USQYEYJLDVIMFG-MOPGFXCFSA-N 2 1 339.568 3.277 20 0 EGADMP CCCCCC[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001180065520 1386685058 /nfs/dbraw/zinc/68/50/58/1386685058.db2.gz QQZZPMNGTWAGAI-SFHVURJKSA-N 2 1 325.541 3.175 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1cccc(C)c1 ZINC001180117798 1386701274 /nfs/dbraw/zinc/70/12/74/1386701274.db2.gz CUXGBEOESNPHKR-UHFFFAOYSA-N 2 1 347.547 3.493 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C)c1 ZINC001180226809 1386738894 /nfs/dbraw/zinc/73/88/94/1386738894.db2.gz NSKVPNQBBHKXQS-BJLQDIEVSA-N 2 1 345.531 3.284 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]CCC2CCCCC2)C1 ZINC001180259397 1386748316 /nfs/dbraw/zinc/74/83/16/1386748316.db2.gz FNWPIFRJOQGZLZ-LJQANCHMSA-N 2 1 337.552 3.175 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001180299603 1386758593 /nfs/dbraw/zinc/75/85/93/1386758593.db2.gz VDGGBRRMFBDMJS-HKUYNNGSSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001180299603 1386758595 /nfs/dbraw/zinc/75/85/95/1386758595.db2.gz VDGGBRRMFBDMJS-HKUYNNGSSA-N 2 1 345.531 3.134 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)cc2)cn1 ZINC001321070189 1386800022 /nfs/dbraw/zinc/80/00/22/1386800022.db2.gz KSRAWQWMTZGHDG-IBGZPJMESA-N 2 1 338.499 3.251 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC001180792548 1386875361 /nfs/dbraw/zinc/87/53/61/1386875361.db2.gz CBHBGCZBHVSJLV-MAUKXSAKSA-N 2 1 330.472 3.216 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2coc3ccccc23)C1 ZINC001180802071 1386877294 /nfs/dbraw/zinc/87/72/94/1386877294.db2.gz MHCQGLLUOBRTEX-LJQANCHMSA-N 2 1 336.435 3.289 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@]1(C)C[NH2+]CCCC1CCCC1 ZINC001180898933 1386893939 /nfs/dbraw/zinc/89/39/39/1386893939.db2.gz GYNSRFQWTARRFR-SLYNCCJLSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)Cc1ccccc1 ZINC001181141455 1386944825 /nfs/dbraw/zinc/94/48/25/1386944825.db2.gz OGKDDPGKDOOWLB-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC001181141455 1386944832 /nfs/dbraw/zinc/94/48/32/1386944832.db2.gz OGKDDPGKDOOWLB-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC001181141455 1386944834 /nfs/dbraw/zinc/94/48/34/1386944834.db2.gz OGKDDPGKDOOWLB-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001181896899 1387072094 /nfs/dbraw/zinc/07/20/94/1387072094.db2.gz RJSXFQIDEGQLFY-YCIUYBBHSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001182614177 1387196537 /nfs/dbraw/zinc/19/65/37/1387196537.db2.gz FBTPEWVUUKSMGY-QWFCFKBJSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cccc3c2OCCO3)n1 ZINC001322861222 1387248241 /nfs/dbraw/zinc/24/82/41/1387248241.db2.gz HZFYVJUJFOZDLN-KRWDZBQOSA-N 2 1 339.439 3.238 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccccc3N3CCCC3)C2)C1 ZINC001329612547 1389184047 /nfs/dbraw/zinc/18/40/47/1389184047.db2.gz NDFZJYBZCTULDN-QKNQBKEWSA-N 2 1 343.515 3.005 20 0 EGADMP CCCC[C@@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001329886691 1389245792 /nfs/dbraw/zinc/24/57/92/1389245792.db2.gz GBIMWOTXIPVHQV-OALUTQOASA-N 2 1 349.494 3.075 20 0 EGADMP CC[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001330030887 1389288610 /nfs/dbraw/zinc/28/86/10/1389288610.db2.gz HKLCPFVHMDBCQD-SJORKVTESA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CN3C[C@@H](C4CCCCC4)CC3=O)C[C@@H]2C1 ZINC001337805525 1389448751 /nfs/dbraw/zinc/44/87/51/1389448751.db2.gz MSBAJRIZWDEHDS-FUMNGEBKSA-N 2 1 347.547 3.035 20 0 EGADMP C[C@@H](CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)C1CC[NH2+]CC1 ZINC001330975990 1389583833 /nfs/dbraw/zinc/58/38/33/1389583833.db2.gz JFZOXLNMWMHYHV-ZDUSSCGKSA-N 2 1 337.895 3.366 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001331633313 1389839124 /nfs/dbraw/zinc/83/91/24/1389839124.db2.gz VKIGIUMGEUEKCN-UONOGXRCSA-N 2 1 348.878 3.043 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)C3([NH+](C)C)CCC3)[C@H]2C)cs1 ZINC001332183541 1390025997 /nfs/dbraw/zinc/02/59/97/1390025997.db2.gz DDGJMBJRCNZUDA-WBVHZDCISA-N 2 1 349.544 3.010 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2cc(C)ccc2C)[C@H]1C ZINC001332219374 1390050442 /nfs/dbraw/zinc/05/04/42/1390050442.db2.gz NUWTYXLKMWBMJK-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)ccc2C)[C@H]1C ZINC001332219374 1390050446 /nfs/dbraw/zinc/05/04/46/1390050446.db2.gz NUWTYXLKMWBMJK-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)ccc2C)[C@H]1C ZINC001332219374 1390050452 /nfs/dbraw/zinc/05/04/52/1390050452.db2.gz NUWTYXLKMWBMJK-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC001333423479 1390301008 /nfs/dbraw/zinc/30/10/08/1390301008.db2.gz QTRDZDBQYSDRQN-GHTZIAJQSA-N 2 1 347.547 3.022 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)o1 ZINC001333890424 1390431044 /nfs/dbraw/zinc/43/10/44/1390431044.db2.gz CLWWKCAPVVLLHQ-XYJFISCASA-N 2 1 342.487 3.151 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cnc(F)cc3C)CC2)oc1C ZINC001342912760 1390671608 /nfs/dbraw/zinc/67/16/08/1390671608.db2.gz BTFUKATVWZNMEE-UHFFFAOYSA-N 2 1 346.450 3.136 20 0 EGADMP C[C@H]([NH2+]CCOC1CCSCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001335506929 1390695761 /nfs/dbraw/zinc/69/57/61/1390695761.db2.gz QXJBUYVMEAHCMY-HKUYNNGSSA-N 2 1 348.556 3.399 20 0 EGADMP COc1ccc2nc(C[N@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)sc2c1 ZINC001343332644 1390707624 /nfs/dbraw/zinc/70/76/24/1390707624.db2.gz GQSYAUQQNUMPQJ-SOUVJXGZSA-N 2 1 345.512 3.467 20 0 EGADMP COc1ccc(C[C@H](C)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1F ZINC001345955102 1390897147 /nfs/dbraw/zinc/89/71/47/1390897147.db2.gz BAYLJOBCUWCUAJ-INIZCTEOSA-N 2 1 334.479 3.479 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccccc2C[NH3+])cc1)C(C)C ZINC001346103236 1390907718 /nfs/dbraw/zinc/90/77/18/1390907718.db2.gz HAFXEYXHBJDONL-UHFFFAOYSA-N 2 1 339.483 3.306 20 0 EGADMP COc1cccc(SCC[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c1 ZINC001347105112 1391001168 /nfs/dbraw/zinc/00/11/68/1391001168.db2.gz UPEHPORUXNQFRL-INIZCTEOSA-N 2 1 345.512 3.476 20 0 EGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC001348514724 1391231275 /nfs/dbraw/zinc/23/12/75/1391231275.db2.gz GDIXANIBOWYOEV-INIZCTEOSA-N 2 1 328.504 3.317 20 0 EGADMP CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCC(C)(C)CC1)[NH+](C)C ZINC001488660283 1391698264 /nfs/dbraw/zinc/69/82/64/1391698264.db2.gz CNVNNXKQCSRFMB-ROUUACIJSA-N 2 1 337.552 3.076 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001479967882 1392503944 /nfs/dbraw/zinc/50/39/44/1392503944.db2.gz PATUYWNJPFOAMX-IBGZPJMESA-N 2 1 345.531 3.016 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001479967882 1392503946 /nfs/dbraw/zinc/50/39/46/1392503946.db2.gz PATUYWNJPFOAMX-IBGZPJMESA-N 2 1 345.531 3.016 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001479967882 1392503949 /nfs/dbraw/zinc/50/39/49/1392503949.db2.gz PATUYWNJPFOAMX-IBGZPJMESA-N 2 1 345.531 3.016 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C(C)C)C1 ZINC001479969265 1392505343 /nfs/dbraw/zinc/50/53/43/1392505343.db2.gz ZPLSNEPZJNBNRQ-LJQANCHMSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C(C)C)C1 ZINC001479969265 1392505345 /nfs/dbraw/zinc/50/53/45/1392505345.db2.gz ZPLSNEPZJNBNRQ-LJQANCHMSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C(C)C)C1 ZINC001479969265 1392505350 /nfs/dbraw/zinc/50/53/50/1392505350.db2.gz ZPLSNEPZJNBNRQ-LJQANCHMSA-N 2 1 345.531 3.232 20 0 EGADMP CCCN(C(=O)C[N@H+](C)Cc1ccccc1)C1CC[NH+](CCC)CC1 ZINC001479996388 1392528002 /nfs/dbraw/zinc/52/80/02/1392528002.db2.gz GVRNHNYDQGXHAX-UHFFFAOYSA-N 2 1 345.531 3.231 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)Cc1ccccc1)C1CC[NH+](CCC)CC1 ZINC001479996388 1392528004 /nfs/dbraw/zinc/52/80/04/1392528004.db2.gz GVRNHNYDQGXHAX-UHFFFAOYSA-N 2 1 345.531 3.231 20 0 EGADMP CC[C@H]([NH2+][C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1 ZINC001480538247 1392784146 /nfs/dbraw/zinc/78/41/46/1392784146.db2.gz WCZMEDZVHMHDLJ-WMZOPIPTSA-N 2 1 333.520 3.210 20 0 EGADMP CCc1ccc(C[N@@H+](C)CCNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001480920645 1393021463 /nfs/dbraw/zinc/02/14/63/1393021463.db2.gz WBDXUBQBHCLMHA-SFHVURJKSA-N 2 1 345.531 3.062 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001481118843 1393124682 /nfs/dbraw/zinc/12/46/82/1393124682.db2.gz NEFQIEHCKBIRFP-XLIONFOSSA-N 2 1 345.531 3.088 20 0 EGADMP Cc1cc(C[NH+]2CCCC[C@H]2CNC(=O)C[N@H+](C)C2CCC2)cs1 ZINC001491210546 1394472822 /nfs/dbraw/zinc/47/28/22/1394472822.db2.gz RQKMVAYGHARHMO-SFHVURJKSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)C[NH+](C)C2CCC2)cs1 ZINC001491210546 1394472825 /nfs/dbraw/zinc/47/28/25/1394472825.db2.gz RQKMVAYGHARHMO-SFHVURJKSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)C[NH+](C)C2CCC2)cs1 ZINC001491210546 1394472829 /nfs/dbraw/zinc/47/28/29/1394472829.db2.gz RQKMVAYGHARHMO-SFHVURJKSA-N 2 1 349.544 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1CCCC(C)(C)C ZINC001491231130 1394486392 /nfs/dbraw/zinc/48/63/92/1394486392.db2.gz XKYIBOKUQPTKGX-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1CCCC(C)(C)C ZINC001491231130 1394486386 /nfs/dbraw/zinc/48/63/86/1394486386.db2.gz XKYIBOKUQPTKGX-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1CCCC(C)(C)C ZINC001491231130 1394486389 /nfs/dbraw/zinc/48/63/89/1394486389.db2.gz XKYIBOKUQPTKGX-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@]1(C[NH2+]CC2CC2)CCCC[C@H]1C ZINC001481961714 1394623314 /nfs/dbraw/zinc/62/33/14/1394623314.db2.gz NVWLBWDGGLCXJG-UZLBHIALSA-N 2 1 346.519 3.071 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)C[C@H]1C ZINC001483915674 1395143495 /nfs/dbraw/zinc/14/34/95/1395143495.db2.gz HOMBSMADLNPRTN-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)C[C@@H]1C ZINC001483915672 1395143603 /nfs/dbraw/zinc/14/36/03/1395143603.db2.gz HOMBSMADLNPRTN-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001484061176 1395225492 /nfs/dbraw/zinc/22/54/92/1395225492.db2.gz PRJJTRTYERIWOE-PXNSSMCTSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001484061176 1395225495 /nfs/dbraw/zinc/22/54/95/1395225495.db2.gz PRJJTRTYERIWOE-PXNSSMCTSA-N 2 1 348.535 3.269 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001484473417 1395407941 /nfs/dbraw/zinc/40/79/41/1395407941.db2.gz UHJJQYFYOFZOKS-YSIASYRMSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001484716239 1395476891 /nfs/dbraw/zinc/47/68/91/1395476891.db2.gz GHKUQSCPWWNFGR-OALUTQOASA-N 2 1 349.563 3.124 20 0 EGADMP CCc1ccccc1C[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001484724828 1395489025 /nfs/dbraw/zinc/48/90/25/1395489025.db2.gz YZTADJXWSWKBTI-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N[C@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001484728327 1395491476 /nfs/dbraw/zinc/49/14/76/1395491476.db2.gz MJFKYNFLXUNCGE-FQEVSTJZSA-N 2 1 349.563 3.413 20 0 EGADMP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@@H+](C)Cc1cccc(F)c1 ZINC001485303368 1395781202 /nfs/dbraw/zinc/78/12/02/1395781202.db2.gz QIFMUMSPLRLTAJ-MRXNPFEDSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)Cc2cc(C)cc(C)c2)CC1 ZINC001485766245 1396143080 /nfs/dbraw/zinc/14/30/80/1396143080.db2.gz DJIBTLXPRSMXHD-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@H+](C)Cc2cc(C)cc(C)c2)CC1 ZINC001485766245 1396143083 /nfs/dbraw/zinc/14/30/83/1396143083.db2.gz DJIBTLXPRSMXHD-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](C)Cc2cc(C)cc(C)c2)CC1 ZINC001485766245 1396143087 /nfs/dbraw/zinc/14/30/87/1396143087.db2.gz DJIBTLXPRSMXHD-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CCC(CC)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001485767921 1396145161 /nfs/dbraw/zinc/14/51/61/1396145161.db2.gz SHODMXGBICRNCQ-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001485767921 1396145162 /nfs/dbraw/zinc/14/51/62/1396145162.db2.gz SHODMXGBICRNCQ-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001485767921 1396145166 /nfs/dbraw/zinc/14/51/66/1396145166.db2.gz SHODMXGBICRNCQ-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001502371162 1396198618 /nfs/dbraw/zinc/19/86/18/1396198618.db2.gz BQBSSWCZPTUQAP-HXUWFJFHSA-N 2 1 347.547 3.170 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001493240647 1396338722 /nfs/dbraw/zinc/33/87/22/1396338722.db2.gz SPEYTPSUYYUZPS-ROUUACIJSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001493240647 1396338723 /nfs/dbraw/zinc/33/87/23/1396338723.db2.gz SPEYTPSUYYUZPS-ROUUACIJSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001493240647 1396338724 /nfs/dbraw/zinc/33/87/24/1396338724.db2.gz SPEYTPSUYYUZPS-ROUUACIJSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCCC1 ZINC001495949461 1396575157 /nfs/dbraw/zinc/57/51/57/1396575157.db2.gz OHMMVCMPIKGLKS-MRDWYFFCSA-N 2 1 341.927 3.020 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001498454717 1397000606 /nfs/dbraw/zinc/00/06/06/1397000606.db2.gz DRNQLOUPWGMEMW-MOPGFXCFSA-N 2 1 345.531 3.369 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001690502045 1404615662 /nfs/dbraw/zinc/61/56/62/1404615662.db2.gz SZECTEVTKRPWHQ-FUHWJXTLSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001690502045 1404615665 /nfs/dbraw/zinc/61/56/65/1404615665.db2.gz SZECTEVTKRPWHQ-FUHWJXTLSA-N 2 1 346.519 3.023 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001690780805 1404729149 /nfs/dbraw/zinc/72/91/49/1404729149.db2.gz LYVPMCWZCRHTFJ-ZWKOTPCHSA-N 2 1 339.568 3.418 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001691055745 1404974988 /nfs/dbraw/zinc/97/49/88/1404974988.db2.gz PZTMFOFKBYWIOG-MOPGFXCFSA-N 2 1 349.494 3.151 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CCCC(C)(C)C ZINC001691065849 1404992784 /nfs/dbraw/zinc/99/27/84/1404992784.db2.gz HBUMPOZTXVONNM-GOSISDBHSA-N 2 1 348.535 3.331 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@H]1CC[N@H+]1CCCC(C)(C)C ZINC001691065849 1404992788 /nfs/dbraw/zinc/99/27/88/1404992788.db2.gz HBUMPOZTXVONNM-GOSISDBHSA-N 2 1 348.535 3.331 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)c1cccc(C)c1 ZINC001691180367 1405118181 /nfs/dbraw/zinc/11/81/81/1405118181.db2.gz AIYTZMYPQAUHEJ-QWFCFKBJSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H](C)c1cccc(C)c1 ZINC001691180367 1405118185 /nfs/dbraw/zinc/11/81/85/1405118185.db2.gz AIYTZMYPQAUHEJ-QWFCFKBJSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H](C)c1cccc(C)c1 ZINC001691180367 1405118189 /nfs/dbraw/zinc/11/81/89/1405118189.db2.gz AIYTZMYPQAUHEJ-QWFCFKBJSA-N 2 1 345.531 3.224 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001691203248 1405142956 /nfs/dbraw/zinc/14/29/56/1405142956.db2.gz RJLBFFNXOJOCRG-RDTXWAMCSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001691203248 1405142958 /nfs/dbraw/zinc/14/29/58/1405142958.db2.gz RJLBFFNXOJOCRG-RDTXWAMCSA-N 2 1 349.906 3.076 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001691708594 1405436925 /nfs/dbraw/zinc/43/69/25/1405436925.db2.gz CUKORMUGYNZIBP-KURKYZTESA-N 2 1 343.515 3.025 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001691708596 1405436937 /nfs/dbraw/zinc/43/69/37/1405436937.db2.gz CUKORMUGYNZIBP-OKZBNKHCSA-N 2 1 343.515 3.025 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001692150849 1405803987 /nfs/dbraw/zinc/80/39/87/1405803987.db2.gz FGADGBMGEUKWPH-YSIASYRMSA-N 2 1 345.531 3.223 20 0 EGADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001732055585 1428299188 /nfs/dbraw/zinc/29/91/88/1428299188.db2.gz ZCPRFHHFEWFZID-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001732090174 1428354840 /nfs/dbraw/zinc/35/48/40/1428354840.db2.gz GXAUFWBJNYIZTB-GGPKGHCWSA-N 2 1 345.531 3.223 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001732090175 1428355065 /nfs/dbraw/zinc/35/50/65/1428355065.db2.gz GXAUFWBJNYIZTB-NSHGMRRFSA-N 2 1 345.531 3.223 20 0 EGADMP CC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C)cc1C ZINC001732213786 1428461991 /nfs/dbraw/zinc/46/19/91/1428461991.db2.gz IOOUHFNFNHDEOI-IBGZPJMESA-N 2 1 347.547 3.266 20 0 EGADMP CC[C@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001732224063 1428472653 /nfs/dbraw/zinc/47/26/53/1428472653.db2.gz QNZZLEZVVCWDGK-SUMWQHHRSA-N 2 1 348.878 3.091 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCC2CC2)C1 ZINC001732526025 1428645960 /nfs/dbraw/zinc/64/59/60/1428645960.db2.gz BCJZHCCREWYYPW-FUHWJXTLSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@H](C[N@@H+](C)CC/C=C/c1ccccc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001699445913 1412780105 /nfs/dbraw/zinc/78/01/05/1412780105.db2.gz JABOZNIMYDRLEE-INMULRNOSA-N 2 1 343.515 3.011 20 0 EGADMP C[C@@H](C[N@@H+](C)[C@@H](C)c1ccc(F)cc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001699463084 1412820898 /nfs/dbraw/zinc/82/08/98/1412820898.db2.gz DCKFPJLKGPVSHS-HOTGVXAUSA-N 2 1 349.494 3.055 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H](C[NH2+]CC1CCC(C)(C)CC1)C1CC1)C1CCC1 ZINC001699579884 1412935882 /nfs/dbraw/zinc/93/58/82/1412935882.db2.gz UHBJPPLEOKWJSY-IBGZPJMESA-N 2 1 349.563 3.172 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001699803703 1413215600 /nfs/dbraw/zinc/21/56/00/1413215600.db2.gz FLHLBKBKJXEFPH-UXHICEINSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)[C@H](C(=O)N(C)CCC[N@@H+](C)CC1CCC1)[NH+]1CCCCC1 ZINC001700195651 1413635440 /nfs/dbraw/zinc/63/54/40/1413635440.db2.gz VJIFFZHTBYYCSQ-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccc(C)c(C)c1 ZINC001700364229 1413883628 /nfs/dbraw/zinc/88/36/28/1413883628.db2.gz PLDHUAQPJYUUJE-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C)c(C)c1 ZINC001700364229 1413883633 /nfs/dbraw/zinc/88/36/33/1413883633.db2.gz PLDHUAQPJYUUJE-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC001700364229 1413883637 /nfs/dbraw/zinc/88/36/37/1413883637.db2.gz PLDHUAQPJYUUJE-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001700478493 1414110503 /nfs/dbraw/zinc/11/05/03/1414110503.db2.gz QBRWMYHIGPPUOF-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP Cc1cc(C)cc(C[N@H+](C)[C@H](C)CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001700485890 1414131699 /nfs/dbraw/zinc/13/16/99/1414131699.db2.gz BGDRYJBLNUIFGW-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+]2CCCCC2)cc1 ZINC001700488748 1414139066 /nfs/dbraw/zinc/13/90/66/1414139066.db2.gz FOJNCJATQNKDPL-IBGZPJMESA-N 2 1 345.531 3.198 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001700544992 1414213347 /nfs/dbraw/zinc/21/33/47/1414213347.db2.gz DPJJZHGRNNCBJM-DLBZAZTESA-N 2 1 339.568 3.083 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001700556047 1414225947 /nfs/dbraw/zinc/22/59/47/1414225947.db2.gz VTXOJZNTYMYNOL-JKSUJKDBSA-N 2 1 349.494 3.055 20 0 EGADMP CC[C@@H](C(=O)N1CCC([N@@H+](C)CC2CCCC2)CC1)[NH+](CC)CC ZINC001700696541 1414354351 /nfs/dbraw/zinc/35/43/51/1414354351.db2.gz KRRUVKPWUACJFI-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC[NH+](C)CCC2CCCC2)C1 ZINC001732589163 1428807377 /nfs/dbraw/zinc/80/73/77/1428807377.db2.gz FMNXWOISPVHTKX-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)CC[N@H+](C)CCC2CCCC2)C1 ZINC001732589163 1428807382 /nfs/dbraw/zinc/80/73/82/1428807382.db2.gz FMNXWOISPVHTKX-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)CC[N@@H+](C)CCC2CCCC2)C1 ZINC001732589163 1428807392 /nfs/dbraw/zinc/80/73/92/1428807392.db2.gz FMNXWOISPVHTKX-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001701024412 1414685852 /nfs/dbraw/zinc/68/58/52/1414685852.db2.gz CWMRUNBREVCXFC-GTPINHCMSA-N 2 1 349.494 3.198 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1CCCCC1 ZINC001707450147 1417354335 /nfs/dbraw/zinc/35/43/35/1417354335.db2.gz ZMJABCKWNHVWFX-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713086694 1417633314 /nfs/dbraw/zinc/63/33/14/1417633314.db2.gz GIWYVBWRNFHKIS-QZTJIDSGSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001713086694 1417633317 /nfs/dbraw/zinc/63/33/17/1417633317.db2.gz GIWYVBWRNFHKIS-QZTJIDSGSA-N 2 1 345.531 3.224 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001713086694 1417633320 /nfs/dbraw/zinc/63/33/20/1417633320.db2.gz GIWYVBWRNFHKIS-QZTJIDSGSA-N 2 1 345.531 3.224 20 0 EGADMP CCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC[NH+](CC2CC2)CC1 ZINC001713101180 1417654618 /nfs/dbraw/zinc/65/46/18/1417654618.db2.gz PHIHGZOLHIHZOY-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H](C[N@@H+](C)CCCC1CCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001733058529 1429203155 /nfs/dbraw/zinc/20/31/55/1429203155.db2.gz LJGQNLDWPWZBFF-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)c1ccccc1 ZINC001713180637 1417754865 /nfs/dbraw/zinc/75/48/65/1417754865.db2.gz RNVLKUKCKJJTTO-OHSMVPPVSA-N 2 1 343.515 3.201 20 0 EGADMP CC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1ccccc1 ZINC001713180637 1417754867 /nfs/dbraw/zinc/75/48/67/1417754867.db2.gz RNVLKUKCKJJTTO-OHSMVPPVSA-N 2 1 343.515 3.201 20 0 EGADMP CC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccccc1 ZINC001713180637 1417754870 /nfs/dbraw/zinc/75/48/70/1417754870.db2.gz RNVLKUKCKJJTTO-OHSMVPPVSA-N 2 1 343.515 3.201 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001713355865 1417972467 /nfs/dbraw/zinc/97/24/67/1417972467.db2.gz QXKUTESMIAOXFY-ROUUACIJSA-N 2 1 348.535 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001713399966 1418021099 /nfs/dbraw/zinc/02/10/99/1418021099.db2.gz WVGOFPDNJISYGE-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CCCCCC1 ZINC001713459693 1418115218 /nfs/dbraw/zinc/11/52/18/1418115218.db2.gz KXTNFNDXQOKYQS-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC1CCCCCC1 ZINC001713459693 1418115221 /nfs/dbraw/zinc/11/52/21/1418115221.db2.gz KXTNFNDXQOKYQS-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC1CCCCCC1 ZINC001713459693 1418115224 /nfs/dbraw/zinc/11/52/24/1418115224.db2.gz KXTNFNDXQOKYQS-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1c(C)ccc2ccccc21)[NH+](C)C ZINC001713473263 1418147601 /nfs/dbraw/zinc/14/76/01/1418147601.db2.gz SFZXNBJQCIJNTR-FQEVSTJZSA-N 2 1 341.499 3.036 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001713477387 1418159935 /nfs/dbraw/zinc/15/99/35/1418159935.db2.gz NIUMQGPJVBMXKY-KRWDZBQOSA-N 2 1 349.494 3.201 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001713734485 1418525774 /nfs/dbraw/zinc/52/57/74/1418525774.db2.gz IWDHFRLOCRMNPP-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CC2CCCCCC2)C1 ZINC001713758989 1418565411 /nfs/dbraw/zinc/56/54/11/1418565411.db2.gz IKCROSIWXNOAOF-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)CC2CCCCCC2)C1 ZINC001713758989 1418565413 /nfs/dbraw/zinc/56/54/13/1418565413.db2.gz IKCROSIWXNOAOF-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCCC2)C1 ZINC001713758989 1418565417 /nfs/dbraw/zinc/56/54/17/1418565417.db2.gz IKCROSIWXNOAOF-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001713804718 1418617219 /nfs/dbraw/zinc/61/72/19/1418617219.db2.gz CKRGZIIAZVWOHX-IRXDYDNUSA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)(C)CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001713915395 1418710860 /nfs/dbraw/zinc/71/08/60/1418710860.db2.gz VXBRRDNRKBBKME-KDURUIRLSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001713965138 1418744761 /nfs/dbraw/zinc/74/47/61/1418744761.db2.gz YNTACIRQJHNCJK-QWFCFKBJSA-N 2 1 343.515 3.033 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2(C[NH2+]C[C@H](C)CC)CCCC2)C1 ZINC001714140712 1418943448 /nfs/dbraw/zinc/94/34/48/1418943448.db2.gz TWIXFBFRHJMDBD-MSOLQXFVSA-N 2 1 337.552 3.173 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC[C@H]([N@@H+](C)CCCC3CCC3)C2)CC1 ZINC001714449202 1419182378 /nfs/dbraw/zinc/18/23/78/1419182378.db2.gz YWRZRVYMVHHLAG-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CC3CC(C)C3)CCCC2)C1 ZINC001714501685 1419227887 /nfs/dbraw/zinc/22/78/87/1419227887.db2.gz OIMLVKMLURYGJD-CTWPCTMYSA-N 2 1 349.563 3.173 20 0 EGADMP C[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)CC1CCCCCC1 ZINC001714542050 1419267371 /nfs/dbraw/zinc/26/73/71/1419267371.db2.gz FRUZUCXHHPNYGH-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)c1 ZINC001714564930 1419293272 /nfs/dbraw/zinc/29/32/72/1419293272.db2.gz OENXDMPZFJLERR-QUCCMNQESA-N 2 1 345.531 3.367 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)c1 ZINC001714564930 1419293273 /nfs/dbraw/zinc/29/32/73/1419293273.db2.gz OENXDMPZFJLERR-QUCCMNQESA-N 2 1 345.531 3.367 20 0 EGADMP CCc1ccc(C[N@@H+](CC)CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)cc1 ZINC001714587886 1419332366 /nfs/dbraw/zinc/33/23/66/1419332366.db2.gz ZHEHMONPVUAJNV-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[NH+](CC)CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001714587886 1419332369 /nfs/dbraw/zinc/33/23/69/1419332369.db2.gz ZHEHMONPVUAJNV-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[NH+](CC)CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001714587886 1419332372 /nfs/dbraw/zinc/33/23/72/1419332372.db2.gz ZHEHMONPVUAJNV-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@H](C)c1ccccc1C ZINC001714618340 1419382638 /nfs/dbraw/zinc/38/26/38/1419382638.db2.gz KQUXLAMSKNSFKU-RTBURBONSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)c1ccccc1C ZINC001714618340 1419382644 /nfs/dbraw/zinc/38/26/44/1419382644.db2.gz KQUXLAMSKNSFKU-RTBURBONSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1[C@H](C)c1ccccc1C ZINC001714618340 1419382655 /nfs/dbraw/zinc/38/26/55/1419382655.db2.gz KQUXLAMSKNSFKU-RTBURBONSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001714651115 1419427981 /nfs/dbraw/zinc/42/79/81/1419427981.db2.gz VEADJSZODAPOHW-LJQANCHMSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001714651115 1419427984 /nfs/dbraw/zinc/42/79/84/1419427984.db2.gz VEADJSZODAPOHW-LJQANCHMSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001714651115 1419427986 /nfs/dbraw/zinc/42/79/86/1419427986.db2.gz VEADJSZODAPOHW-LJQANCHMSA-N 2 1 337.552 3.127 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@H]1CC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001714881380 1419618412 /nfs/dbraw/zinc/61/84/12/1419618412.db2.gz AZNRSVNBTWUSEK-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001714881380 1419618418 /nfs/dbraw/zinc/61/84/18/1419618418.db2.gz AZNRSVNBTWUSEK-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001714881380 1419618441 /nfs/dbraw/zinc/61/84/41/1419618441.db2.gz AZNRSVNBTWUSEK-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC001715035816 1419770737 /nfs/dbraw/zinc/77/07/37/1419770737.db2.gz AWNMPRWMZNHBMY-HKUYNNGSSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)C[N@H+](C)C1CCC1)[C@H]1CC[NH+](C[C@@H](C)CC(C)C)C1 ZINC001715035816 1419770739 /nfs/dbraw/zinc/77/07/39/1419770739.db2.gz AWNMPRWMZNHBMY-HKUYNNGSSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)C[N@@H+](C)C1CCC1)[C@H]1CC[NH+](C[C@@H](C)CC(C)C)C1 ZINC001715035816 1419770741 /nfs/dbraw/zinc/77/07/41/1419770741.db2.gz AWNMPRWMZNHBMY-HKUYNNGSSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@H](C)C1 ZINC001715098252 1419838905 /nfs/dbraw/zinc/83/89/05/1419838905.db2.gz LJPNTMZAAVNBAP-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001715191556 1419923595 /nfs/dbraw/zinc/92/35/95/1419923595.db2.gz SXVYJQVSXTYITH-MISYRCLQSA-N 2 1 345.531 3.415 20 0 EGADMP C[C@@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001715457433 1420138493 /nfs/dbraw/zinc/13/84/93/1420138493.db2.gz PMKCCKJEQXRYMB-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001715479282 1420157675 /nfs/dbraw/zinc/15/76/75/1420157675.db2.gz ZNDIERJOOZWZQD-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001715479282 1420157678 /nfs/dbraw/zinc/15/76/78/1420157678.db2.gz ZNDIERJOOZWZQD-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001715479282 1420157680 /nfs/dbraw/zinc/15/76/80/1420157680.db2.gz ZNDIERJOOZWZQD-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1ccc(C)c(C[N@H+](C)CCN(C)C(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001715531715 1420222955 /nfs/dbraw/zinc/22/29/55/1420222955.db2.gz KOUNFARWJWDOPW-UHFFFAOYSA-N 2 1 347.547 3.172 20 0 EGADMP Cc1ccc(C)c(C[NH+](C)CCN(C)C(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001715531715 1420222957 /nfs/dbraw/zinc/22/29/57/1420222957.db2.gz KOUNFARWJWDOPW-UHFFFAOYSA-N 2 1 347.547 3.172 20 0 EGADMP Cc1ccc(C)c(C[NH+](C)CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001715531715 1420222959 /nfs/dbraw/zinc/22/29/59/1420222959.db2.gz KOUNFARWJWDOPW-UHFFFAOYSA-N 2 1 347.547 3.172 20 0 EGADMP C[C@@H](CC[NH2+][C@@H]1CCCc2ccccc21)NC(=O)C[N@@H+](C)C1CCC1 ZINC001715655797 1420280861 /nfs/dbraw/zinc/28/08/61/1420280861.db2.gz OLBFPVVPLRFFPB-OXJNMPFZSA-N 2 1 343.515 3.033 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001716662916 1420816449 /nfs/dbraw/zinc/81/64/49/1420816449.db2.gz OUYCIFXZTWIXCB-OALUTQOASA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001716662916 1420816452 /nfs/dbraw/zinc/81/64/52/1420816452.db2.gz OUYCIFXZTWIXCB-OALUTQOASA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001716662916 1420816456 /nfs/dbraw/zinc/81/64/56/1420816456.db2.gz OUYCIFXZTWIXCB-OALUTQOASA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)C[C@H]1C ZINC001716772056 1420915681 /nfs/dbraw/zinc/91/56/81/1420915681.db2.gz YRJNRKOCOMILJQ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCC[NH+](CCC2CC2)C2CCCCCC2)CC[N@H+]1C ZINC001733277974 1429444705 /nfs/dbraw/zinc/44/47/05/1429444705.db2.gz KVINNOLRJJPVBO-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](CCC2CC2)C2CCCCCC2)CC[NH+]1C ZINC001733277974 1429444706 /nfs/dbraw/zinc/44/47/06/1429444706.db2.gz KVINNOLRJJPVBO-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](CCC2CC2)C2CCCCCC2)CC[NH+]1C ZINC001733277974 1429444707 /nfs/dbraw/zinc/44/47/07/1429444707.db2.gz KVINNOLRJJPVBO-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001717145747 1421138575 /nfs/dbraw/zinc/13/85/75/1421138575.db2.gz YOXJSULQOMABAP-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC001717202202 1421170477 /nfs/dbraw/zinc/17/04/77/1421170477.db2.gz OMLUNAHDIQVGCV-QUCCMNQESA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2cccc(C)c2)CC1 ZINC001717202202 1421170478 /nfs/dbraw/zinc/17/04/78/1421170478.db2.gz OMLUNAHDIQVGCV-QUCCMNQESA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2cccc(C)c2)CC1 ZINC001717202202 1421170479 /nfs/dbraw/zinc/17/04/79/1421170479.db2.gz OMLUNAHDIQVGCV-QUCCMNQESA-N 2 1 345.531 3.369 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001717217548 1421195557 /nfs/dbraw/zinc/19/55/57/1421195557.db2.gz SKLYERZVEVZHCU-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001717217548 1421195558 /nfs/dbraw/zinc/19/55/58/1421195558.db2.gz SKLYERZVEVZHCU-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001717217548 1421195559 /nfs/dbraw/zinc/19/55/59/1421195559.db2.gz SKLYERZVEVZHCU-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(C)cc2)[C@@H](C)C1 ZINC001717334911 1421271253 /nfs/dbraw/zinc/27/12/53/1421271253.db2.gz BINUVSXPGTVUCB-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)[C@@H](C)C1 ZINC001717334911 1421271255 /nfs/dbraw/zinc/27/12/55/1421271255.db2.gz BINUVSXPGTVUCB-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)[C@@H](C)C1 ZINC001717334911 1421271257 /nfs/dbraw/zinc/27/12/57/1421271257.db2.gz BINUVSXPGTVUCB-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001717454202 1421383920 /nfs/dbraw/zinc/38/39/20/1421383920.db2.gz RXPPAPNZRAZKDJ-IEBWSBKVSA-N 2 1 345.531 3.306 20 0 EGADMP CCC(CC)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001717537463 1421475437 /nfs/dbraw/zinc/47/54/37/1421475437.db2.gz FIDXSWPZTXLWFH-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C(C)C)C[C@H]1C ZINC001717828995 1421642277 /nfs/dbraw/zinc/64/22/77/1421642277.db2.gz ZMBKNEHFJOMFAT-MJGOQNOKSA-N 2 1 345.531 3.231 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)C[C@H]1C ZINC001733335400 1429520517 /nfs/dbraw/zinc/52/05/17/1429520517.db2.gz IWKGHLQXKWPFAR-YGQKLEOUSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC/C=C/c2ccccc2)C1 ZINC001733412706 1429614145 /nfs/dbraw/zinc/61/41/45/1429614145.db2.gz ONYVTAHKYPKJAE-HSRJRILOSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+](CC/C=C/c2ccccc2)C1 ZINC001733412706 1429614148 /nfs/dbraw/zinc/61/41/48/1429614148.db2.gz ONYVTAHKYPKJAE-HSRJRILOSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC001733412706 1429614150 /nfs/dbraw/zinc/61/41/50/1429614150.db2.gz ONYVTAHKYPKJAE-HSRJRILOSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H](c1ccccc1F)[N@@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001724853921 1425221713 /nfs/dbraw/zinc/22/17/13/1425221713.db2.gz HCKAJNSZQALESY-INIZCTEOSA-N 2 1 349.494 3.009 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@@H](C)c1ccccc1Cl ZINC001725188938 1425728140 /nfs/dbraw/zinc/72/81/40/1425728140.db2.gz KXGVTWGVMPTGJD-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC001725188938 1425728144 /nfs/dbraw/zinc/72/81/44/1425728144.db2.gz KXGVTWGVMPTGJD-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC001725188938 1425728148 /nfs/dbraw/zinc/72/81/48/1425728148.db2.gz KXGVTWGVMPTGJD-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)CCCC1CCCC1 ZINC001725190431 1425734533 /nfs/dbraw/zinc/73/45/33/1425734533.db2.gz NXOGRDIZVWMMTR-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1CCCC1CCCC1 ZINC001725634116 1426304072 /nfs/dbraw/zinc/30/40/72/1426304072.db2.gz RMARKWKYHURNSH-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001725669528 1426353344 /nfs/dbraw/zinc/35/33/44/1426353344.db2.gz XTDHAWHEPHDNSW-OALUTQOASA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC001731352266 1427291414 /nfs/dbraw/zinc/29/14/14/1427291414.db2.gz MBKRISKIPBZNPX-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C2CC2)c1 ZINC001731396884 1427353117 /nfs/dbraw/zinc/35/31/17/1427353117.db2.gz NBRSSOWSZFXVBB-UZLBHIALSA-N 2 1 343.515 3.025 20 0 EGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001731783391 1427909619 /nfs/dbraw/zinc/90/96/19/1427909619.db2.gz DBRRMLPEQKYXQW-QGZVFWFLSA-N 2 1 347.547 3.435 20 0 EGADMP CC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC001731813516 1428001745 /nfs/dbraw/zinc/00/17/45/1428001745.db2.gz WWSILITZZCKWJT-KRWDZBQOSA-N 2 1 349.494 3.057 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CCC[NH+]1CC1CCCCCC1)C1CCC1 ZINC001731829240 1428036359 /nfs/dbraw/zinc/03/63/59/1428036359.db2.gz NSBVUCFXCQZSMV-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCCC1)C1CCC1 ZINC001731829240 1428036365 /nfs/dbraw/zinc/03/63/65/1428036365.db2.gz NSBVUCFXCQZSMV-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCCC1)C1CCC1 ZINC001731829240 1428036372 /nfs/dbraw/zinc/03/63/72/1428036372.db2.gz NSBVUCFXCQZSMV-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001733581730 1429784743 /nfs/dbraw/zinc/78/47/43/1429784743.db2.gz YDOMGCCPHVRBGF-OTWHNJEPSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCC[NH+]2C)c1 ZINC001733773505 1430011390 /nfs/dbraw/zinc/01/13/90/1430011390.db2.gz IXMHCDITCMDKBY-UYAOXDASSA-N 2 1 345.531 3.321 20 0 EGADMP Cc1cccc([C@@H](C)[NH+](C)CCCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001733773505 1430011397 /nfs/dbraw/zinc/01/13/97/1430011397.db2.gz IXMHCDITCMDKBY-UYAOXDASSA-N 2 1 345.531 3.321 20 0 EGADMP Cc1cccc([C@@H](C)[NH+](C)CCCN(C)C(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC001733773505 1430011400 /nfs/dbraw/zinc/01/14/00/1430011400.db2.gz IXMHCDITCMDKBY-UYAOXDASSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@@H+](CC)CC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001733918789 1437732251 /nfs/dbraw/zinc/73/22/51/1437732251.db2.gz UUNSMIHZZGQOJW-UHFFFAOYSA-N 2 1 342.487 3.227 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)CCCC(C)(C)C ZINC001733939100 1437754937 /nfs/dbraw/zinc/75/49/37/1437754937.db2.gz VAVNYFUGQUIMSP-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CCCC(C)(C)C ZINC001733939100 1437754938 /nfs/dbraw/zinc/75/49/38/1437754938.db2.gz VAVNYFUGQUIMSP-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001733939100 1437754939 /nfs/dbraw/zinc/75/49/39/1437754939.db2.gz VAVNYFUGQUIMSP-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001734055708 1437846142 /nfs/dbraw/zinc/84/61/42/1437846142.db2.gz BNQSHYPAZVXAQL-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001734055708 1437846143 /nfs/dbraw/zinc/84/61/43/1437846143.db2.gz BNQSHYPAZVXAQL-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001734055708 1437846145 /nfs/dbraw/zinc/84/61/45/1437846145.db2.gz BNQSHYPAZVXAQL-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001734125578 1437904518 /nfs/dbraw/zinc/90/45/18/1437904518.db2.gz DXNMFJPZMUNSOQ-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001734268838 1437989520 /nfs/dbraw/zinc/98/95/20/1437989520.db2.gz CGDUPKZUHJCQIR-LJQANCHMSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001734268838 1437989521 /nfs/dbraw/zinc/98/95/21/1437989521.db2.gz CGDUPKZUHJCQIR-LJQANCHMSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001734268838 1437989522 /nfs/dbraw/zinc/98/95/22/1437989522.db2.gz CGDUPKZUHJCQIR-LJQANCHMSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC001734351253 1438069303 /nfs/dbraw/zinc/06/93/03/1438069303.db2.gz AEKIKFXZYITKEA-XLIONFOSSA-N 2 1 345.531 3.232 20 0 EGADMP C[C@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@H+]1CCC1CCCC1 ZINC001734462638 1438119300 /nfs/dbraw/zinc/11/93/00/1438119300.db2.gz UNIPWQOKOUONQT-LPHOPBHVSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCC[NH+]1CCC1CCCC1 ZINC001734462638 1438119302 /nfs/dbraw/zinc/11/93/02/1438119302.db2.gz UNIPWQOKOUONQT-LPHOPBHVSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCC[NH+]1CCC1CCCC1 ZINC001734462638 1438119303 /nfs/dbraw/zinc/11/93/03/1438119303.db2.gz UNIPWQOKOUONQT-LPHOPBHVSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1CCCC1 ZINC001752157424 1440147586 /nfs/dbraw/zinc/14/75/86/1440147586.db2.gz QBFNWTIHDLKLPD-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)Cc1ccsc1 ZINC001752219414 1440156185 /nfs/dbraw/zinc/15/61/85/1440156185.db2.gz JNPIZDQHGNZCQP-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)Cc1ccsc1 ZINC001752219414 1440156187 /nfs/dbraw/zinc/15/61/87/1440156187.db2.gz JNPIZDQHGNZCQP-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)Cc1ccsc1 ZINC001752219414 1440156190 /nfs/dbraw/zinc/15/61/90/1440156190.db2.gz JNPIZDQHGNZCQP-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP CCCCCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001752427746 1440177560 /nfs/dbraw/zinc/17/75/60/1440177560.db2.gz QXNRYXYGKOWXEN-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001752517991 1440191881 /nfs/dbraw/zinc/19/18/81/1440191881.db2.gz LCSCKGGUVRIWDW-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)[C@H](C)c2ccccc2)C1 ZINC001752527656 1440193422 /nfs/dbraw/zinc/19/34/22/1440193422.db2.gz LVIGHMQNHHYCQR-MOPGFXCFSA-N 2 1 345.531 3.260 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)[C@H](C)c2ccccc2)C1 ZINC001752527656 1440193423 /nfs/dbraw/zinc/19/34/23/1440193423.db2.gz LVIGHMQNHHYCQR-MOPGFXCFSA-N 2 1 345.531 3.260 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H](C[N@@H+](C)[C@H](C)c2ccccc2)C1 ZINC001752527656 1440193424 /nfs/dbraw/zinc/19/34/24/1440193424.db2.gz LVIGHMQNHHYCQR-MOPGFXCFSA-N 2 1 345.531 3.260 20 0 EGADMP CC(C)[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752706772 1440202875 /nfs/dbraw/zinc/20/28/75/1440202875.db2.gz RFWQFRHEOVDGDD-AZUAARDMSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001752706772 1440202876 /nfs/dbraw/zinc/20/28/76/1440202876.db2.gz RFWQFRHEOVDGDD-AZUAARDMSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001752706772 1440202877 /nfs/dbraw/zinc/20/28/77/1440202877.db2.gz RFWQFRHEOVDGDD-AZUAARDMSA-N 2 1 349.563 3.362 20 0 EGADMP CCCCCC[N@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001752783209 1440209953 /nfs/dbraw/zinc/20/99/53/1440209953.db2.gz WBKDXBUQVZQBRT-IBGZPJMESA-N 2 1 349.563 3.271 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001752789327 1440213020 /nfs/dbraw/zinc/21/30/20/1440213020.db2.gz YICONCHWFOUABA-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC001752789327 1440213021 /nfs/dbraw/zinc/21/30/21/1440213021.db2.gz YICONCHWFOUABA-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001752789327 1440213022 /nfs/dbraw/zinc/21/30/22/1440213022.db2.gz YICONCHWFOUABA-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC1CCC([NH2+]Cc2ccccc2)CC1 ZINC001752851005 1440233486 /nfs/dbraw/zinc/23/34/86/1440233486.db2.gz WGVAMNZZPMWPFV-SOAGJPPSSA-N 2 1 343.515 3.078 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NC1CCC([NH2+]CCC2CC2)CC1 ZINC001752850833 1440233548 /nfs/dbraw/zinc/23/35/48/1440233548.db2.gz NTPOUYWITSIPRH-UHFFFAOYSA-N 2 1 349.563 3.457 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001752996882 1440262583 /nfs/dbraw/zinc/26/25/83/1440262583.db2.gz QHJKKDGGAGVUPU-HKUYNNGSSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC=C(C)C ZINC001753027190 1440271648 /nfs/dbraw/zinc/27/16/48/1440271648.db2.gz FWGDNKAVKARFDM-OALUTQOASA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC=C(C)C ZINC001753027190 1440271649 /nfs/dbraw/zinc/27/16/49/1440271649.db2.gz FWGDNKAVKARFDM-OALUTQOASA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC=C(C)C ZINC001753027190 1440271650 /nfs/dbraw/zinc/27/16/50/1440271650.db2.gz FWGDNKAVKARFDM-OALUTQOASA-N 2 1 335.536 3.188 20 0 EGADMP Cc1c(C(=O)NCC[N@@H+](C)CCCC(C)(C)C)ccc2c[nH+]cn21 ZINC001753056240 1440281468 /nfs/dbraw/zinc/28/14/68/1440281468.db2.gz YKKLKXDPNHOUFF-UHFFFAOYSA-N 2 1 330.476 3.131 20 0 EGADMP CCCc1ccc(C[N@@H+](C)CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001753074287 1440290387 /nfs/dbraw/zinc/29/03/87/1440290387.db2.gz GLKNPSBMGIDFAZ-QZTJIDSGSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccc(C(C)C)cc1 ZINC001753083725 1440295164 /nfs/dbraw/zinc/29/51/64/1440295164.db2.gz OTHFKJMEGDTVMK-UHFFFAOYSA-N 2 1 345.531 3.232 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)[C@@H](C)c1ccc(F)cc1 ZINC001753095038 1440301853 /nfs/dbraw/zinc/30/18/53/1440301853.db2.gz NCBRJRAMQHSRAO-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)[C@@H](C)c1ccc(F)cc1 ZINC001753095038 1440301854 /nfs/dbraw/zinc/30/18/54/1440301854.db2.gz NCBRJRAMQHSRAO-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)[C@@H](C)c1ccc(F)cc1 ZINC001753095038 1440301855 /nfs/dbraw/zinc/30/18/55/1440301855.db2.gz NCBRJRAMQHSRAO-QFBILLFUSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1CCC[NH+]1CC=C(C)C)c1ccccc1 ZINC001753116572 1440311583 /nfs/dbraw/zinc/31/15/83/1440311583.db2.gz NGWKMQOXYRUMFV-VQTJNVASSA-N 2 1 343.515 3.226 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H]1CCC[NH+]1CC=C(C)C)c1ccccc1 ZINC001753116572 1440311584 /nfs/dbraw/zinc/31/15/84/1440311584.db2.gz NGWKMQOXYRUMFV-VQTJNVASSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC=C(C)C)c1ccccc1 ZINC001753116572 1440311585 /nfs/dbraw/zinc/31/15/85/1440311585.db2.gz NGWKMQOXYRUMFV-VQTJNVASSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC=C(C)C)c1ccccc1 ZINC001753116572 1440311586 /nfs/dbraw/zinc/31/15/86/1440311586.db2.gz NGWKMQOXYRUMFV-VQTJNVASSA-N 2 1 343.515 3.226 20 0 EGADMP O=C(CCC[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC001753120032 1440313475 /nfs/dbraw/zinc/31/34/75/1440313475.db2.gz RQUPAOSANBRAPY-IBGZPJMESA-N 2 1 335.536 3.023 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001753141032 1440321075 /nfs/dbraw/zinc/32/10/75/1440321075.db2.gz TYJZUGIECISTPB-FQEVSTJZSA-N 2 1 349.563 3.271 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)c1ccc(F)cc1 ZINC001753143081 1440322661 /nfs/dbraw/zinc/32/26/61/1440322661.db2.gz IDEKVCBRPIIMPO-FRQCXROJSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H](C)c1ccc(F)cc1 ZINC001753143081 1440322662 /nfs/dbraw/zinc/32/26/62/1440322662.db2.gz IDEKVCBRPIIMPO-FRQCXROJSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H](C)c1ccc(F)cc1 ZINC001753143081 1440322663 /nfs/dbraw/zinc/32/26/63/1440322663.db2.gz IDEKVCBRPIIMPO-FRQCXROJSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)[C@@H](C)c1ccccc1C ZINC001753147358 1440325337 /nfs/dbraw/zinc/32/53/37/1440325337.db2.gz ANFIXLQAKMYRQQ-HKUYNNGSSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[C@@H](C)c1ccccc1C ZINC001753147358 1440325338 /nfs/dbraw/zinc/32/53/38/1440325338.db2.gz ANFIXLQAKMYRQQ-HKUYNNGSSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[C@@H](C)c1ccccc1C ZINC001753147358 1440325339 /nfs/dbraw/zinc/32/53/39/1440325339.db2.gz ANFIXLQAKMYRQQ-HKUYNNGSSA-N 2 1 345.531 3.226 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1 ZINC001753191116 1440337734 /nfs/dbraw/zinc/33/77/34/1440337734.db2.gz OSSRMSUBXHGIBD-SJORKVTESA-N 2 1 342.487 3.206 20 0 EGADMP CCCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001753317893 1440360787 /nfs/dbraw/zinc/36/07/87/1440360787.db2.gz YEMKMPOATQFZEK-SFHVURJKSA-N 2 1 342.487 3.225 20 0 EGADMP C[NH+](C)C1(C(=O)NCC[C@H]2CC[N@@H+](CCC3=CCCCC3)C2)CCC1 ZINC001753332170 1440370125 /nfs/dbraw/zinc/37/01/25/1440370125.db2.gz JJNJJXGXJPGWPO-IBGZPJMESA-N 2 1 347.547 3.189 20 0 EGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001753457475 1440408874 /nfs/dbraw/zinc/40/88/74/1440408874.db2.gz RBEUNOLZIWFOJU-KZNAEPCWSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001753457475 1440408875 /nfs/dbraw/zinc/40/88/75/1440408875.db2.gz RBEUNOLZIWFOJU-KZNAEPCWSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001753457475 1440408876 /nfs/dbraw/zinc/40/88/76/1440408876.db2.gz RBEUNOLZIWFOJU-KZNAEPCWSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@](C)(C[NH2+]CCCC2CCCC2)C2CC2)CC[N@H+]1C ZINC001753518147 1440427927 /nfs/dbraw/zinc/42/79/27/1440427927.db2.gz BYDFHUVPBANCCG-OZOXKJRCSA-N 2 1 349.563 3.172 20 0 EGADMP O=C([C@H]1CCC[C@@H]2CCC[N@H+]21)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001753575474 1440439160 /nfs/dbraw/zinc/43/91/60/1440439160.db2.gz IXWXCYRDBQATCF-WOJBJXKFSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001753581714 1440440274 /nfs/dbraw/zinc/44/02/74/1440440274.db2.gz YSRXZYXNCTWORE-FHWLQOOXSA-N 2 1 335.536 3.090 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001753586826 1440441602 /nfs/dbraw/zinc/44/16/02/1440441602.db2.gz CXRQRUOLFOSQFD-UWCDRFHNSA-N 2 1 335.536 3.092 20 0 EGADMP C[N@@H+](CC(=O)NCc1ccc(C[NH2+]CC2CCC2)cc1)CC(C)(C)C ZINC001753590732 1440442905 /nfs/dbraw/zinc/44/29/05/1440442905.db2.gz MPQUZNGXPDLGEK-UHFFFAOYSA-N 2 1 345.531 3.170 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC2CC[NH+](CCC3CCCC3)CC2)CC[N@H+]1C ZINC001753595457 1440444486 /nfs/dbraw/zinc/44/44/86/1440444486.db2.gz ZBADVIIYVZQGBK-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCC(C)(C)C ZINC001753632111 1440452305 /nfs/dbraw/zinc/45/23/05/1440452305.db2.gz HLUPBVGGNZTAII-IAGOWNOFSA-N 2 1 325.541 3.027 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001753665036 1440459862 /nfs/dbraw/zinc/45/98/62/1440459862.db2.gz MAGAHMDNUOIPBP-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001753729683 1440475527 /nfs/dbraw/zinc/47/55/27/1440475527.db2.gz PGLSBVPJPDNHMH-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CC(C)=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001753785204 1440487950 /nfs/dbraw/zinc/48/79/50/1440487950.db2.gz SXDZORKTTVQODE-FHWLQOOXSA-N 2 1 335.536 3.044 20 0 EGADMP CCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001753889818 1440521760 /nfs/dbraw/zinc/52/17/60/1440521760.db2.gz UTTDOEJXXMNDCJ-FUHWJXTLSA-N 2 1 337.552 3.314 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001754324035 1440579408 /nfs/dbraw/zinc/57/94/08/1440579408.db2.gz XRQIPKHTDOTVDM-HNAYVOBHSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](C[N@@H+](C)[C@@H](C)c1ccc(F)cc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754329352 1440582777 /nfs/dbraw/zinc/58/27/77/1440582777.db2.gz ZWHNEUPRWQHGQL-SJORKVTESA-N 2 1 349.494 3.055 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cc(C)cc(C)c1 ZINC001754336891 1440587050 /nfs/dbraw/zinc/58/70/50/1440587050.db2.gz PHTOUWYRIFGDAZ-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1cc(C)cc(C)c1 ZINC001754336891 1440587051 /nfs/dbraw/zinc/58/70/51/1440587051.db2.gz PHTOUWYRIFGDAZ-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC001754336891 1440587052 /nfs/dbraw/zinc/58/70/52/1440587052.db2.gz PHTOUWYRIFGDAZ-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001754350822 1440590751 /nfs/dbraw/zinc/59/07/51/1440590751.db2.gz FZKLYHGBYGNYPH-QZTJIDSGSA-N 2 1 337.552 3.027 20 0 EGADMP CN(CCC[NH2+]CCC1CCCCCC1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001754378149 1440593059 /nfs/dbraw/zinc/59/30/59/1440593059.db2.gz YSJXLRSQWWAXPB-QZTJIDSGSA-N 2 1 346.519 3.312 20 0 EGADMP C[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC001754391782 1440594141 /nfs/dbraw/zinc/59/41/41/1440594141.db2.gz HOSPVCCLMKIHCG-BQFCYCMXSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CCC1CCCC1 ZINC001754401038 1440595193 /nfs/dbraw/zinc/59/51/93/1440595193.db2.gz OKKLICJYFDPROV-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001754492427 1440610561 /nfs/dbraw/zinc/61/05/61/1440610561.db2.gz CBNBUNANASYDEC-AEFFLSMTSA-N 2 1 339.483 3.043 20 0 EGADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001754492429 1440610785 /nfs/dbraw/zinc/61/07/85/1440610785.db2.gz CBNBUNANASYDEC-SJLPKXTDSA-N 2 1 339.483 3.043 20 0 EGADMP CCCC[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001754547806 1440628626 /nfs/dbraw/zinc/62/86/26/1440628626.db2.gz RIZXMVAKPYAYCX-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCCCCC1 ZINC001754547806 1440628627 /nfs/dbraw/zinc/62/86/27/1440628627.db2.gz RIZXMVAKPYAYCX-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCCCC1 ZINC001754547806 1440628628 /nfs/dbraw/zinc/62/86/28/1440628628.db2.gz RIZXMVAKPYAYCX-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001754556271 1440631696 /nfs/dbraw/zinc/63/16/96/1440631696.db2.gz XZNSSNVLWMFVRT-SFMFPFJOSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001754556271 1440631697 /nfs/dbraw/zinc/63/16/97/1440631697.db2.gz XZNSSNVLWMFVRT-SFMFPFJOSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001754556271 1440631698 /nfs/dbraw/zinc/63/16/98/1440631698.db2.gz XZNSSNVLWMFVRT-SFMFPFJOSA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(C)(C)C)C2 ZINC001754558341 1440632737 /nfs/dbraw/zinc/63/27/37/1440632737.db2.gz QIQXSMFINNMNNA-FQEVSTJZSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC(C)(C)C)C2 ZINC001754558341 1440632738 /nfs/dbraw/zinc/63/27/38/1440632738.db2.gz QIQXSMFINNMNNA-FQEVSTJZSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC(C)(C)C)C2 ZINC001754558341 1440632739 /nfs/dbraw/zinc/63/27/39/1440632739.db2.gz QIQXSMFINNMNNA-FQEVSTJZSA-N 2 1 337.552 3.079 20 0 EGADMP CCC/C=C/CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001754561614 1440633871 /nfs/dbraw/zinc/63/38/71/1440633871.db2.gz ZQBMWWGZYXFBDH-BQYQJAHWSA-N 2 1 349.563 3.389 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C1C[NH+](CC[C@H]2CCC[C@@H](C)C2)C1 ZINC001754586765 1440640053 /nfs/dbraw/zinc/64/00/53/1440640053.db2.gz ZCQNDPPEACGDFO-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@]1(C)CC[N@H+](CCC2CCCCCC2)C1 ZINC001754676361 1440660223 /nfs/dbraw/zinc/66/02/23/1440660223.db2.gz JOIICJYYSVYPTQ-FQEVSTJZSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@]1(C)CC[N@@H+](CCC2CCCCCC2)C1 ZINC001754676361 1440660224 /nfs/dbraw/zinc/66/02/24/1440660224.db2.gz JOIICJYYSVYPTQ-FQEVSTJZSA-N 2 1 346.519 3.133 20 0 EGADMP CCCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001754696514 1440667249 /nfs/dbraw/zinc/66/72/49/1440667249.db2.gz YHGXSVQCGQDCGR-LPHOPBHVSA-N 2 1 334.508 3.025 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCC2CCC2)C1 ZINC001754697044 1440667360 /nfs/dbraw/zinc/66/73/60/1440667360.db2.gz JNMJTMKGCPSDIO-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001754700444 1440667919 /nfs/dbraw/zinc/66/79/19/1440667919.db2.gz YJXDPORREUFZRP-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001754703174 1440668319 /nfs/dbraw/zinc/66/83/19/1440668319.db2.gz JVNGRAIKPGUBPC-FPOVZHCZSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001754728350 1440677450 /nfs/dbraw/zinc/67/74/50/1440677450.db2.gz UAOAFKKHRLTOIV-TWILZGLNSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001754728350 1440677451 /nfs/dbraw/zinc/67/74/51/1440677451.db2.gz UAOAFKKHRLTOIV-TWILZGLNSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001754728350 1440677452 /nfs/dbraw/zinc/67/74/52/1440677452.db2.gz UAOAFKKHRLTOIV-TWILZGLNSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001754733724 1440681320 /nfs/dbraw/zinc/68/13/20/1440681320.db2.gz OJGAMBRSFUXVFW-WBWXQYNJSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001754733724 1440681321 /nfs/dbraw/zinc/68/13/21/1440681321.db2.gz OJGAMBRSFUXVFW-WBWXQYNJSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001754733724 1440681322 /nfs/dbraw/zinc/68/13/22/1440681322.db2.gz OJGAMBRSFUXVFW-WBWXQYNJSA-N 2 1 349.563 3.435 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001754867889 1440703515 /nfs/dbraw/zinc/70/35/15/1440703515.db2.gz HKELHKCNUGUGJM-YZPMEYCISA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001754867889 1440703516 /nfs/dbraw/zinc/70/35/16/1440703516.db2.gz HKELHKCNUGUGJM-YZPMEYCISA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CCC ZINC001754867889 1440703517 /nfs/dbraw/zinc/70/35/17/1440703517.db2.gz HKELHKCNUGUGJM-YZPMEYCISA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001754870987 1440704966 /nfs/dbraw/zinc/70/49/66/1440704966.db2.gz FQVRPNXBRCIHJE-ASIGSXEYSA-N 2 1 344.503 3.003 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001754870987 1440704967 /nfs/dbraw/zinc/70/49/67/1440704967.db2.gz FQVRPNXBRCIHJE-ASIGSXEYSA-N 2 1 344.503 3.003 20 0 EGADMP CC[C@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001754955637 1440716340 /nfs/dbraw/zinc/71/63/40/1440716340.db2.gz LKKFHJIXABDUCY-VMXHOPILSA-N 2 1 337.552 3.027 20 0 EGADMP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC001754980370 1440721121 /nfs/dbraw/zinc/72/11/21/1440721121.db2.gz AAPVQOQYWZONLH-QZTJIDSGSA-N 2 1 349.563 3.316 20 0 EGADMP CC1CCC(C[NH2+]C2(CNC(=O)CC[C@@H]3CCC[N@H+]3C)CCC2)CC1 ZINC001754982169 1440721603 /nfs/dbraw/zinc/72/16/03/1440721603.db2.gz QJXCKUHDXSJHHE-ACBHZAAOSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001755047435 1440742125 /nfs/dbraw/zinc/74/21/25/1440742125.db2.gz NTDQAJQZVCBARG-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)CC[N@H+]1Cc2ccc(CNC(=O)C3(C[NH+](C)C)CC3)cc2C1 ZINC001755102467 1440753413 /nfs/dbraw/zinc/75/34/13/1440753413.db2.gz VDHGSDJFRUOKSK-UHFFFAOYSA-N 2 1 343.515 3.006 20 0 EGADMP CCC/C=C\CC[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001755134975 1440757976 /nfs/dbraw/zinc/75/79/76/1440757976.db2.gz BGNBNFXJBQYGOV-MJRGOJFPSA-N 2 1 335.536 3.045 20 0 EGADMP CN(CC(C)(C)C[NH2+]Cc1ccccc1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001755282432 1440800976 /nfs/dbraw/zinc/80/09/76/1440800976.db2.gz RQEAPYDGYFDEPH-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[NH+]([C@H](C)c2ccccc2C)CC1(C)C ZINC001755417083 1440849387 /nfs/dbraw/zinc/84/93/87/1440849387.db2.gz YERHDKYZKNKXJC-MJGOQNOKSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[N@@H+]([C@H](C)c2ccccc2C)CC1(C)C ZINC001755417083 1440849388 /nfs/dbraw/zinc/84/93/88/1440849388.db2.gz YERHDKYZKNKXJC-MJGOQNOKSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[N@H+]([C@H](C)c2ccccc2C)CC1(C)C ZINC001755417083 1440849389 /nfs/dbraw/zinc/84/93/89/1440849389.db2.gz YERHDKYZKNKXJC-MJGOQNOKSA-N 2 1 345.531 3.224 20 0 EGADMP C[C@H](CCC[NH2+]Cc1ccccc1C1CC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001755490488 1440861410 /nfs/dbraw/zinc/86/14/10/1440861410.db2.gz RCYREOAKGLUXAH-UZLBHIALSA-N 2 1 343.515 3.033 20 0 EGADMP CC(C)=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001755531013 1440867342 /nfs/dbraw/zinc/86/73/42/1440867342.db2.gz YNDPLQXTEHGBSF-FQEVSTJZSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001755531013 1440867343 /nfs/dbraw/zinc/86/73/43/1440867343.db2.gz YNDPLQXTEHGBSF-FQEVSTJZSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001755531013 1440867344 /nfs/dbraw/zinc/86/73/44/1440867344.db2.gz YNDPLQXTEHGBSF-FQEVSTJZSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH+](C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001755536102 1440869578 /nfs/dbraw/zinc/86/95/78/1440869578.db2.gz HGLZCOTVVBKVSG-MRXNPFEDSA-N 2 1 349.494 3.150 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([N@H+](C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001755536102 1440869579 /nfs/dbraw/zinc/86/95/79/1440869579.db2.gz HGLZCOTVVBKVSG-MRXNPFEDSA-N 2 1 349.494 3.150 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([N@@H+](C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001755536102 1440869580 /nfs/dbraw/zinc/86/95/80/1440869580.db2.gz HGLZCOTVVBKVSG-MRXNPFEDSA-N 2 1 349.494 3.150 20 0 EGADMP CCc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001755587612 1440880756 /nfs/dbraw/zinc/88/07/56/1440880756.db2.gz HQHPIHAGEWUVJD-PXNSSMCTSA-N 2 1 345.531 3.058 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCC1CCC1 ZINC001755607998 1440886229 /nfs/dbraw/zinc/88/62/29/1440886229.db2.gz YHRKEAKWGQHDKM-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCC1CCC1 ZINC001755607999 1440886286 /nfs/dbraw/zinc/88/62/86/1440886286.db2.gz YHRKEAKWGQHDKM-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC001755609529 1440886566 /nfs/dbraw/zinc/88/65/66/1440886566.db2.gz AEDPECXZNULCRJ-KRWDZBQOSA-N 2 1 341.499 3.118 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC001755764470 1440915756 /nfs/dbraw/zinc/91/57/56/1440915756.db2.gz TZRGRBIHARALJW-QZTJIDSGSA-N 2 1 337.552 3.122 20 0 EGADMP CCCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1(C)C ZINC001755775807 1440917216 /nfs/dbraw/zinc/91/72/16/1440917216.db2.gz RDECSPSLZPKUGS-BZSNNMDCSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]CC2CCCCC2)C(C)(C)C)C1 ZINC001755836067 1440930204 /nfs/dbraw/zinc/93/02/04/1440930204.db2.gz MFOGHCQVWZXYRX-ROUUACIJSA-N 2 1 337.552 3.029 20 0 EGADMP C[N@@H+](CC(=O)NCC1=CC[NH+](CCC2CCCCC2)CC1)C1CCC1 ZINC001755886968 1440940482 /nfs/dbraw/zinc/94/04/82/1440940482.db2.gz AYSURWWTVDDODX-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+](CC(=O)NCC1=CC[N@H+](CCC2CCCCC2)CC1)C1CCC1 ZINC001755886968 1440940483 /nfs/dbraw/zinc/94/04/83/1440940483.db2.gz AYSURWWTVDDODX-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+](CC(=O)NCC1=CC[N@@H+](CCC2CCCCC2)CC1)C1CCC1 ZINC001755886968 1440940484 /nfs/dbraw/zinc/94/04/84/1440940484.db2.gz AYSURWWTVDDODX-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)Oc1cc[nH+]c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164722936 720394175 /nfs/dbraw/zinc/39/41/75/720394175.db2.gz DUQPEDVYTXJGFF-RTBURBONSA-N 2 1 338.455 3.117 20 0 EGADMP CC(C)Oc1cc[nH+]c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164722936 720394178 /nfs/dbraw/zinc/39/41/78/720394178.db2.gz DUQPEDVYTXJGFF-RTBURBONSA-N 2 1 338.455 3.117 20 0 EGADMP C[N@@H+](CCc1nc(-c2ccccc2)no1)CC[C@@H]1CCCC[NH+]1C ZINC000173961679 529938752 /nfs/dbraw/zinc/93/87/52/529938752.db2.gz ALSGUZZYNQHHLA-KRWDZBQOSA-N 2 1 328.460 3.085 20 0 EGADMP C[N@H+](CCc1nc(-c2ccccc2)no1)CC[C@@H]1CCCC[NH+]1C ZINC000173961679 529938754 /nfs/dbraw/zinc/93/87/54/529938754.db2.gz ALSGUZZYNQHHLA-KRWDZBQOSA-N 2 1 328.460 3.085 20 0 EGADMP C[NH+](CCc1nc(-c2ccccc2)no1)CC[C@@H]1CCCC[N@@H+]1C ZINC000173961679 529938756 /nfs/dbraw/zinc/93/87/56/529938756.db2.gz ALSGUZZYNQHHLA-KRWDZBQOSA-N 2 1 328.460 3.085 20 0 EGADMP C[NH+](CCc1nc(-c2ccccc2)no1)CC[C@@H]1CCCC[N@H+]1C ZINC000173961679 529938757 /nfs/dbraw/zinc/93/87/57/529938757.db2.gz ALSGUZZYNQHHLA-KRWDZBQOSA-N 2 1 328.460 3.085 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)N2CCCCC2)cc1 ZINC000178200615 232106550 /nfs/dbraw/zinc/10/65/50/232106550.db2.gz VFIYATQHVYVEKN-MRXNPFEDSA-N 2 1 340.471 3.234 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000186981361 236085734 /nfs/dbraw/zinc/08/57/34/236085734.db2.gz YGNLHWXUDJLYBI-MRXNPFEDSA-N 2 1 325.456 3.141 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000186981361 236085737 /nfs/dbraw/zinc/08/57/37/236085737.db2.gz YGNLHWXUDJLYBI-MRXNPFEDSA-N 2 1 325.456 3.141 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)[C@H]1C ZINC000354635469 291124981 /nfs/dbraw/zinc/12/49/81/291124981.db2.gz RDRIPLHCTFAFBD-OREBXVKISA-N 2 1 336.520 3.207 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)CC[N@H+]1C ZINC000129301566 223041821 /nfs/dbraw/zinc/04/18/21/223041821.db2.gz LKDZVCHBENTKJL-CJNGLKHVSA-N 2 1 330.394 3.338 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000130718909 223171902 /nfs/dbraw/zinc/17/19/02/223171902.db2.gz XZCJJGWJKXCFSM-MRXNPFEDSA-N 2 1 328.460 3.157 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000130718909 223171904 /nfs/dbraw/zinc/17/19/04/223171904.db2.gz XZCJJGWJKXCFSM-MRXNPFEDSA-N 2 1 328.460 3.157 20 0 EGADMP C[N@@H+](CCO[C@H]1CCCCO1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000193081865 240009769 /nfs/dbraw/zinc/00/97/69/240009769.db2.gz HESSLSOOPBGWND-FQEVSTJZSA-N 2 1 347.503 3.163 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000370495867 242022977 /nfs/dbraw/zinc/02/29/77/242022977.db2.gz GLMQLTMNMNBVQE-UXHICEINSA-N 2 1 334.479 3.446 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1Br ZINC000049554098 214019137 /nfs/dbraw/zinc/01/91/37/214019137.db2.gz PFOAXDLYJVTCPV-NEPJUHHUSA-N 2 1 329.282 3.449 20 0 EGADMP C[C@@H](CC[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000377620561 169049840 /nfs/dbraw/zinc/04/98/40/169049840.db2.gz FCLVEMRYLJFHPB-GHTZIAJQSA-N 2 1 329.532 3.281 20 0 EGADMP Cc1ccc(C(=O)NC2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)s1 ZINC000378130458 169074692 /nfs/dbraw/zinc/07/46/92/169074692.db2.gz YCARDCJRAJXQRP-QGZVFWFLSA-N 2 1 349.544 3.125 20 0 EGADMP Cc1ccc(C(=O)NC2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000378130458 169074693 /nfs/dbraw/zinc/07/46/93/169074693.db2.gz YCARDCJRAJXQRP-QGZVFWFLSA-N 2 1 349.544 3.125 20 0 EGADMP Fc1ccc(C2=CC[C@H]([NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC000378527639 169135739 /nfs/dbraw/zinc/13/57/39/169135739.db2.gz DSHNEKXLBFICCP-SLFFLAALSA-N 2 1 330.447 3.214 20 0 EGADMP Fc1ccc(C2=CC[C@H]([NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC000378527639 169135741 /nfs/dbraw/zinc/13/57/41/169135741.db2.gz DSHNEKXLBFICCP-SLFFLAALSA-N 2 1 330.447 3.214 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c(C)n2n1 ZINC000091725853 218055052 /nfs/dbraw/zinc/05/50/52/218055052.db2.gz OCMYRIQNLXDRIC-PBHICJAKSA-N 2 1 331.508 3.363 20 0 EGADMP COCCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000092066939 218114746 /nfs/dbraw/zinc/11/47/46/218114746.db2.gz RXBRFVGTLHSCES-WIYYLYMNSA-N 2 1 344.499 3.161 20 0 EGADMP COCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000092066939 218114749 /nfs/dbraw/zinc/11/47/49/218114749.db2.gz RXBRFVGTLHSCES-WIYYLYMNSA-N 2 1 344.499 3.161 20 0 EGADMP COCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000092066939 218114751 /nfs/dbraw/zinc/11/47/51/218114751.db2.gz RXBRFVGTLHSCES-WIYYLYMNSA-N 2 1 344.499 3.161 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093604570 218234539 /nfs/dbraw/zinc/23/45/39/218234539.db2.gz FQJDWARRMLPDCF-MRXNPFEDSA-N 2 1 340.471 3.003 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093604570 218234541 /nfs/dbraw/zinc/23/45/41/218234541.db2.gz FQJDWARRMLPDCF-MRXNPFEDSA-N 2 1 340.471 3.003 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCOc2ccccc2)[C@H](C)C1 ZINC000268709361 252159011 /nfs/dbraw/zinc/15/90/11/252159011.db2.gz CVVKAYHIPCQWNK-QUCCMNQESA-N 2 1 334.504 3.182 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCOc2ccccc2)[C@@H](C)C1 ZINC000268709359 252159779 /nfs/dbraw/zinc/15/97/79/252159779.db2.gz CVVKAYHIPCQWNK-AZUAARDMSA-N 2 1 334.504 3.182 20 0 EGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000268783576 252234641 /nfs/dbraw/zinc/23/46/41/252234641.db2.gz UWLAJWZHPQLQAU-KRWDZBQOSA-N 2 1 344.503 3.380 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000268783576 252234646 /nfs/dbraw/zinc/23/46/46/252234646.db2.gz UWLAJWZHPQLQAU-KRWDZBQOSA-N 2 1 344.503 3.380 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000268815489 252267482 /nfs/dbraw/zinc/26/74/82/252267482.db2.gz MDVSGSIKKKMMGU-HOJAQTOUSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000268815489 252267486 /nfs/dbraw/zinc/26/74/86/252267486.db2.gz MDVSGSIKKKMMGU-HOJAQTOUSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000268815489 252267488 /nfs/dbraw/zinc/26/74/88/252267488.db2.gz MDVSGSIKKKMMGU-HOJAQTOUSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000268859644 252308518 /nfs/dbraw/zinc/30/85/18/252308518.db2.gz RTAFKUGJDIGUEX-CYBMUJFWSA-N 2 1 346.393 3.083 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cncc(F)c1 ZINC000153491769 224112846 /nfs/dbraw/zinc/11/28/46/224112846.db2.gz HNWBRBOPWFWLIV-HOTGVXAUSA-N 2 1 343.446 3.292 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cncc(F)c1 ZINC000153491769 224112849 /nfs/dbraw/zinc/11/28/49/224112849.db2.gz HNWBRBOPWFWLIV-HOTGVXAUSA-N 2 1 343.446 3.292 20 0 EGADMP C[C@@H]1C[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000166275657 533643318 /nfs/dbraw/zinc/64/33/18/533643318.db2.gz KXEZRBIIHMNXMG-OXQOHEQNSA-N 2 1 345.506 3.047 20 0 EGADMP c1ccc([C@H]2C[C@H]2C[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000348266308 285494033 /nfs/dbraw/zinc/49/40/33/285494033.db2.gz XQRIDMBUTHVEGM-VQTJNVASSA-N 2 1 328.500 3.415 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000237575814 141008790 /nfs/dbraw/zinc/00/87/90/141008790.db2.gz YAZYIQNDWAFBCD-OXQOHEQNSA-N 2 1 343.471 3.175 20 0 EGADMP FC(F)(F)c1ccccc1OCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246594381 141017941 /nfs/dbraw/zinc/01/79/41/141017941.db2.gz ZQZINUYHKGCGTQ-KBPBESRZSA-N 2 1 328.378 3.301 20 0 EGADMP CC[N@@H+]1CCC[C@H](CN(C)c2cc[nH+]cc2Cl)[C@@H]1c1cnn(C)c1 ZINC000337871364 141069595 /nfs/dbraw/zinc/06/95/95/141069595.db2.gz NWFVPIZIPMKJNE-RDTXWAMCSA-N 2 1 347.894 3.378 20 0 EGADMP CC[N@H+]1CCC[C@H](CN(C)c2cc[nH+]cc2Cl)[C@@H]1c1cnn(C)c1 ZINC000337871364 141069597 /nfs/dbraw/zinc/06/95/97/141069597.db2.gz NWFVPIZIPMKJNE-RDTXWAMCSA-N 2 1 347.894 3.378 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[NH+](CC)C2)cc1 ZINC000338069182 141087077 /nfs/dbraw/zinc/08/70/77/141087077.db2.gz LASFBOVMXDVJEE-LJQANCHMSA-N 2 1 345.531 3.380 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC)C2)cc1 ZINC000338069182 141087078 /nfs/dbraw/zinc/08/70/78/141087078.db2.gz LASFBOVMXDVJEE-LJQANCHMSA-N 2 1 345.531 3.380 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC)C2)cc1 ZINC000338069182 141087080 /nfs/dbraw/zinc/08/70/80/141087080.db2.gz LASFBOVMXDVJEE-LJQANCHMSA-N 2 1 345.531 3.380 20 0 EGADMP Cc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000347888971 141210325 /nfs/dbraw/zinc/21/03/25/141210325.db2.gz WQFCKLGKLMSYBR-HNNXBMFYSA-N 2 1 331.847 3.026 20 0 EGADMP Cc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000347888971 141210326 /nfs/dbraw/zinc/21/03/26/141210326.db2.gz WQFCKLGKLMSYBR-HNNXBMFYSA-N 2 1 331.847 3.026 20 0 EGADMP Cc1nc2ccc(C(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)cc2n1C ZINC000354606241 141313933 /nfs/dbraw/zinc/31/39/33/141313933.db2.gz ZUMTVWVDVANIJH-HNNXBMFYSA-N 2 1 342.487 3.124 20 0 EGADMP Cc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)n1 ZINC000186928209 144147080 /nfs/dbraw/zinc/14/70/80/144147080.db2.gz MHXXFMHVXAQITF-CALCHBBNSA-N 2 1 331.504 3.020 20 0 EGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc(O)c2Cl)CC1 ZINC000351730741 144297879 /nfs/dbraw/zinc/29/78/79/144297879.db2.gz RJOMMKDTDYWLIM-UHFFFAOYSA-N 2 1 340.895 3.368 20 0 EGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000354467023 286151300 /nfs/dbraw/zinc/15/13/00/286151300.db2.gz RJFMIVBCZMEBFR-PKOBYXMFSA-N 2 1 338.536 3.205 20 0 EGADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(F)c(F)c1 ZINC000116397427 152057188 /nfs/dbraw/zinc/05/71/88/152057188.db2.gz TXOPIFYXZNLULZ-WBMJQRKESA-N 2 1 341.446 3.248 20 0 EGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000121187119 152332726 /nfs/dbraw/zinc/33/27/26/152332726.db2.gz YNGKKJFTGNNAHZ-FQEVSTJZSA-N 2 1 332.488 3.161 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000121187119 152332728 /nfs/dbraw/zinc/33/27/28/152332728.db2.gz YNGKKJFTGNNAHZ-FQEVSTJZSA-N 2 1 332.488 3.161 20 0 EGADMP Cc1ccc(C[C@H](CO)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000188978406 153044877 /nfs/dbraw/zinc/04/48/77/153044877.db2.gz RIQXBSURLNPBSI-JOCHJYFZSA-N 2 1 338.495 3.153 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CC(OC(C)C)C3)CC2)oc1C ZINC000189531224 153076948 /nfs/dbraw/zinc/07/69/48/153076948.db2.gz RAWSVSVSWDPAGE-UHFFFAOYSA-N 2 1 335.492 3.049 20 0 EGADMP COc1cccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1F ZINC000192714224 153256065 /nfs/dbraw/zinc/25/60/65/153256065.db2.gz ZNHHESUARXLSGH-QGZVFWFLSA-N 2 1 328.431 3.446 20 0 EGADMP COc1cccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000192714224 153256070 /nfs/dbraw/zinc/25/60/70/153256070.db2.gz ZNHHESUARXLSGH-QGZVFWFLSA-N 2 1 328.431 3.446 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000192919640 153265542 /nfs/dbraw/zinc/26/55/42/153265542.db2.gz HIJZLNSYXPPCOU-LJQANCHMSA-N 2 1 340.467 3.316 20 0 EGADMP COc1ccccc1[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC(C)C ZINC000193299106 153285331 /nfs/dbraw/zinc/28/53/31/153285331.db2.gz MDZNVSGRWLHXDE-KRXYWNSISA-N 2 1 332.488 3.376 20 0 EGADMP COc1ccccc1[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC(C)C ZINC000193299106 153285335 /nfs/dbraw/zinc/28/53/35/153285335.db2.gz MDZNVSGRWLHXDE-KRXYWNSISA-N 2 1 332.488 3.376 20 0 EGADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000193469829 153292836 /nfs/dbraw/zinc/29/28/36/153292836.db2.gz VRPPSCKGXHYGDL-UHFFFAOYSA-N 2 1 347.503 3.078 20 0 EGADMP CC(C)(C)OC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000312931930 154152758 /nfs/dbraw/zinc/15/27/58/154152758.db2.gz ICBDVRKWLBYABL-UHFFFAOYSA-N 2 1 344.499 3.316 20 0 EGADMP CC(C)(C)OC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000312931930 154152760 /nfs/dbraw/zinc/15/27/60/154152760.db2.gz ICBDVRKWLBYABL-UHFFFAOYSA-N 2 1 344.499 3.316 20 0 EGADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336693921 154210046 /nfs/dbraw/zinc/21/00/46/154210046.db2.gz IBZNBHLBTWEJPH-PMACEKPBSA-N 2 1 326.488 3.019 20 0 EGADMP CCc1noc(C)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336785620 154211724 /nfs/dbraw/zinc/21/17/24/154211724.db2.gz ABWUKEWOEZMHJT-RBUKOAKNSA-N 2 1 339.483 3.499 20 0 EGADMP CCc1noc(C)c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336785620 154211727 /nfs/dbraw/zinc/21/17/27/154211727.db2.gz ABWUKEWOEZMHJT-RBUKOAKNSA-N 2 1 339.483 3.499 20 0 EGADMP CCc1noc(C)c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336785620 154211729 /nfs/dbraw/zinc/21/17/29/154211729.db2.gz ABWUKEWOEZMHJT-RBUKOAKNSA-N 2 1 339.483 3.499 20 0 EGADMP CCc1noc(C)c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336785620 154211731 /nfs/dbraw/zinc/21/17/31/154211731.db2.gz ABWUKEWOEZMHJT-RBUKOAKNSA-N 2 1 339.483 3.499 20 0 EGADMP CCn1cncc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000336732398 154212377 /nfs/dbraw/zinc/21/23/77/154212377.db2.gz ZKSGMEKOHNHPRT-IBGZPJMESA-N 2 1 326.488 3.295 20 0 EGADMP CCn1cncc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000336732398 154212381 /nfs/dbraw/zinc/21/23/81/154212381.db2.gz ZKSGMEKOHNHPRT-IBGZPJMESA-N 2 1 326.488 3.295 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccc2c[nH+]cn2c1 ZINC000339948171 155046861 /nfs/dbraw/zinc/04/68/61/155046861.db2.gz NHLKTLPNPJLOQI-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000349086153 156348713 /nfs/dbraw/zinc/34/87/13/156348713.db2.gz BBYDUOLTOZXZNU-HXUWFJFHSA-N 2 1 343.515 3.163 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)Cc3ccc4ccccc4c3)CC[C@H]21 ZINC000365559663 157169511 /nfs/dbraw/zinc/16/95/11/157169511.db2.gz SVRTWRYANYKSJV-BHIFYINESA-N 2 1 338.495 3.159 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccc4ccccc4c3)CC[C@H]21 ZINC000365559663 157169515 /nfs/dbraw/zinc/16/95/15/157169515.db2.gz SVRTWRYANYKSJV-BHIFYINESA-N 2 1 338.495 3.159 20 0 EGADMP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000365768202 157226529 /nfs/dbraw/zinc/22/65/29/157226529.db2.gz SAJKZZAMOBAXRW-RHSMWYFYSA-N 2 1 336.395 3.346 20 0 EGADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000365768202 157226533 /nfs/dbraw/zinc/22/65/33/157226533.db2.gz SAJKZZAMOBAXRW-RHSMWYFYSA-N 2 1 336.395 3.346 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000125519681 162275467 /nfs/dbraw/zinc/27/54/67/162275467.db2.gz FUSDOWQGLAZQOG-IBGZPJMESA-N 2 1 340.471 3.099 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000125519681 162275470 /nfs/dbraw/zinc/27/54/70/162275470.db2.gz FUSDOWQGLAZQOG-IBGZPJMESA-N 2 1 340.471 3.099 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccoc2)C2CCCCC2)CC1 ZINC000130981617 162386683 /nfs/dbraw/zinc/38/66/83/162386683.db2.gz JMVVTCOPJMGGKG-UHFFFAOYSA-N 2 1 347.503 3.015 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180626555 162753900 /nfs/dbraw/zinc/75/39/00/162753900.db2.gz IAGHAVVXTMIGHR-IBGZPJMESA-N 2 1 341.434 3.224 20 0 EGADMP CC1(C)C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C(C)(C)O1 ZINC000248458817 163006174 /nfs/dbraw/zinc/00/61/74/163006174.db2.gz VEEQYGRFUOJDLP-OALUTQOASA-N 2 1 346.515 3.079 20 0 EGADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000248463316 163008346 /nfs/dbraw/zinc/00/83/46/163008346.db2.gz YWICFHXMHFEANG-OXJNMPFZSA-N 2 1 340.467 3.113 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000248826455 163036573 /nfs/dbraw/zinc/03/65/73/163036573.db2.gz GZELTQJUKYRTCJ-IEBWSBKVSA-N 2 1 348.531 3.449 20 0 EGADMP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCCO[C@H]21 ZINC000248832849 163037641 /nfs/dbraw/zinc/03/76/41/163037641.db2.gz FTEMRRXPYBOORZ-VNTMZGSJSA-N 2 1 328.500 3.302 20 0 EGADMP COc1ccc(OCCC[N@H+]2C[C@H](C[NH3+])[C@@H](c3ccccc3)C2)cc1 ZINC000337074970 163122506 /nfs/dbraw/zinc/12/25/06/163122506.db2.gz PSQBGSXEXNVUGJ-GHTZIAJQSA-N 2 1 340.467 3.138 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000337186877 163156796 /nfs/dbraw/zinc/15/67/96/163156796.db2.gz PQWURVJPHPXSPD-GBESFXJTSA-N 2 1 340.552 3.259 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000337186877 163156798 /nfs/dbraw/zinc/15/67/98/163156798.db2.gz PQWURVJPHPXSPD-GBESFXJTSA-N 2 1 340.552 3.259 20 0 EGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cccc(F)c3F)CC2)C[C@H](C)O1 ZINC000338939921 163394129 /nfs/dbraw/zinc/39/41/29/163394129.db2.gz GYXYMCYKJNFSLO-GJZGRUSLSA-N 2 1 338.442 3.286 20 0 EGADMP CCC[C@@H](C)[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000338946384 163399910 /nfs/dbraw/zinc/39/99/10/163399910.db2.gz VCGDPFMSSFKWLY-LJQANCHMSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[C@@H](C)[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000338946384 163399912 /nfs/dbraw/zinc/39/99/12/163399912.db2.gz VCGDPFMSSFKWLY-LJQANCHMSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[C@@H](C)[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000338946384 163399913 /nfs/dbraw/zinc/39/99/13/163399913.db2.gz VCGDPFMSSFKWLY-LJQANCHMSA-N 2 1 345.531 3.150 20 0 EGADMP C[C@@H]1C[C@@H](N(C)CC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000354400513 166013718 /nfs/dbraw/zinc/01/37/18/166013718.db2.gz PDXRNIUNPRGLOA-CTNGQTDRSA-N 2 1 329.532 3.457 20 0 EGADMP COc1ccc([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c(F)c1 ZINC000343975840 164076049 /nfs/dbraw/zinc/07/60/49/164076049.db2.gz HIAWQANBGBZCAN-AWEZNQCLSA-N 2 1 347.434 3.021 20 0 EGADMP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000343982058 164077069 /nfs/dbraw/zinc/07/70/69/164077069.db2.gz KRJYEOPOSSNBBX-MRXNPFEDSA-N 2 1 342.487 3.220 20 0 EGADMP CC(C)CO[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1(C)C ZINC000344177450 164120527 /nfs/dbraw/zinc/12/05/27/164120527.db2.gz UQPHCVOGJXVTAI-ROUUACIJSA-N 2 1 338.536 3.061 20 0 EGADMP CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC000345936673 164299420 /nfs/dbraw/zinc/29/94/20/164299420.db2.gz ZBUWWENBPOPVAU-ROUUACIJSA-N 2 1 343.515 3.227 20 0 EGADMP Cc1nccn1CC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000346319338 164368002 /nfs/dbraw/zinc/36/80/02/164368002.db2.gz XDLFYFFDUSREIZ-UHFFFAOYSA-N 2 1 341.434 3.285 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000346319338 164368004 /nfs/dbraw/zinc/36/80/04/164368004.db2.gz XDLFYFFDUSREIZ-UHFFFAOYSA-N 2 1 341.434 3.285 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000346319338 164368005 /nfs/dbraw/zinc/36/80/05/164368005.db2.gz XDLFYFFDUSREIZ-UHFFFAOYSA-N 2 1 341.434 3.285 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000350180524 165016891 /nfs/dbraw/zinc/01/68/91/165016891.db2.gz GBGHEPWCWPQJOU-HOCLYGCPSA-N 2 1 326.431 3.459 20 0 EGADMP COc1c(O)cccc1CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355212239 166134858 /nfs/dbraw/zinc/13/48/58/166134858.db2.gz IETMYZBISWYHTP-QGZVFWFLSA-N 2 1 326.440 3.013 20 0 EGADMP COc1c(O)cccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355212239 166134859 /nfs/dbraw/zinc/13/48/59/166134859.db2.gz IETMYZBISWYHTP-QGZVFWFLSA-N 2 1 326.440 3.013 20 0 EGADMP COc1c(O)cccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355212239 166134861 /nfs/dbraw/zinc/13/48/61/166134861.db2.gz IETMYZBISWYHTP-QGZVFWFLSA-N 2 1 326.440 3.013 20 0 EGADMP COc1cccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000355225003 166139820 /nfs/dbraw/zinc/13/98/20/166139820.db2.gz RDNIBDMQLDTFAQ-IEBWSBKVSA-N 2 1 339.483 3.133 20 0 EGADMP Oc1cc(F)cc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000355275111 166151372 /nfs/dbraw/zinc/15/13/72/166151372.db2.gz CTSIHYYKWJCOCA-HDICACEKSA-N 2 1 326.415 3.095 20 0 EGADMP Cc1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000355415141 166190483 /nfs/dbraw/zinc/19/04/83/166190483.db2.gz GEMZERAQWCBMBC-GOSISDBHSA-N 2 1 348.450 3.493 20 0 EGADMP Cc1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000355415141 166190485 /nfs/dbraw/zinc/19/04/85/166190485.db2.gz GEMZERAQWCBMBC-GOSISDBHSA-N 2 1 348.450 3.493 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2c(C)nn(C)c2C)CC1)CC1CC1 ZINC000355892506 166339962 /nfs/dbraw/zinc/33/99/62/166339962.db2.gz OWYXWUKDBHTSEH-UHFFFAOYSA-N 2 1 332.536 3.371 20 0 EGADMP C[N@@H+](CCOc1ccc(Br)cc1)CCC1CC[NH2+]CC1 ZINC000359197724 167093467 /nfs/dbraw/zinc/09/34/67/167093467.db2.gz BHPPODZYCWNRDN-UHFFFAOYSA-N 2 1 341.293 3.149 20 0 EGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CCC4CC[NH2+]CC4)C3)C2)cc1 ZINC000359201346 167094098 /nfs/dbraw/zinc/09/40/98/167094098.db2.gz ZZBSLBPOLHRPJS-JOCHJYFZSA-N 3 1 341.543 3.364 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CCC4CC[NH2+]CC4)C3)C2)cc1 ZINC000359201346 167094100 /nfs/dbraw/zinc/09/41/00/167094100.db2.gz ZZBSLBPOLHRPJS-JOCHJYFZSA-N 3 1 341.543 3.364 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CCC4CC[NH2+]CC4)C3)C2)cc1 ZINC000359201346 167094103 /nfs/dbraw/zinc/09/41/03/167094103.db2.gz ZZBSLBPOLHRPJS-JOCHJYFZSA-N 3 1 341.543 3.364 20 0 EGADMP c1ccc(CN2CCC[C@]3(CC[N@@H+](CCC4CC[NH2+]CC4)C3)C2)cc1 ZINC000359201346 167094106 /nfs/dbraw/zinc/09/41/06/167094106.db2.gz ZZBSLBPOLHRPJS-JOCHJYFZSA-N 2 1 341.543 3.364 20 0 EGADMP c1ccc(CN2CCC[C@]3(CC[N@H+](CCC4CC[NH2+]CC4)C3)C2)cc1 ZINC000359201346 167094112 /nfs/dbraw/zinc/09/41/12/167094112.db2.gz ZZBSLBPOLHRPJS-JOCHJYFZSA-N 2 1 341.543 3.364 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(-c2ccncc2)cc1 ZINC000360335689 167305562 /nfs/dbraw/zinc/30/55/62/167305562.db2.gz HPFGFWXLOQLWFT-KRWDZBQOSA-N 2 1 339.483 3.246 20 0 EGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000366957179 168161196 /nfs/dbraw/zinc/16/11/96/168161196.db2.gz ZMHKDDHGGVXZJN-UHFFFAOYSA-N 2 1 328.460 3.286 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C/C=C/c1ccc(F)c(F)c1 ZINC000368025597 168299684 /nfs/dbraw/zinc/29/96/84/168299684.db2.gz XKHVWCQEINXQRA-CGXSRMKQSA-N 2 1 336.426 3.162 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C/C=C/c1ccc(F)c(F)c1 ZINC000368025597 168299685 /nfs/dbraw/zinc/29/96/85/168299685.db2.gz XKHVWCQEINXQRA-CGXSRMKQSA-N 2 1 336.426 3.162 20 0 EGADMP CCOC1CC(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000368089340 168309141 /nfs/dbraw/zinc/30/91/41/168309141.db2.gz LEIAPHLYMFBSPJ-RKDVLTNBSA-N 2 1 328.500 3.255 20 0 EGADMP CCOC1CC(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000368089340 168309142 /nfs/dbraw/zinc/30/91/42/168309142.db2.gz LEIAPHLYMFBSPJ-RKDVLTNBSA-N 2 1 328.500 3.255 20 0 EGADMP CCOC1CC(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000368089340 168309145 /nfs/dbraw/zinc/30/91/45/168309145.db2.gz LEIAPHLYMFBSPJ-RKDVLTNBSA-N 2 1 328.500 3.255 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cncc(Br)c1 ZINC000166862245 226173474 /nfs/dbraw/zinc/17/34/74/226173474.db2.gz PKYPDUITKUIYSW-ZDUSSCGKSA-N 2 1 326.282 3.198 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cncc(Br)c1 ZINC000166862245 226173479 /nfs/dbraw/zinc/17/34/79/226173479.db2.gz PKYPDUITKUIYSW-ZDUSSCGKSA-N 2 1 326.282 3.198 20 0 EGADMP CO[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000123123901 222219893 /nfs/dbraw/zinc/21/98/93/222219893.db2.gz QSXNYXVEULMPEI-UXHICEINSA-N 2 1 334.479 3.380 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000123412418 222272388 /nfs/dbraw/zinc/27/23/88/222272388.db2.gz ASHHGWCNZYLPBP-MRXNPFEDSA-N 2 1 337.467 3.181 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000123412418 222272391 /nfs/dbraw/zinc/27/23/91/222272391.db2.gz ASHHGWCNZYLPBP-MRXNPFEDSA-N 2 1 337.467 3.181 20 0 EGADMP CCCOc1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000178739370 265338308 /nfs/dbraw/zinc/33/83/08/265338308.db2.gz DWQYUBVBVYZQLO-GOSISDBHSA-N 2 1 347.547 3.400 20 0 EGADMP C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000179426280 265377891 /nfs/dbraw/zinc/37/78/91/265377891.db2.gz RMWMNPGKCWVGLV-NVXWUHKLSA-N 2 1 339.524 3.096 20 0 EGADMP COC(=O)[C@H]1CC[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000193500322 266038952 /nfs/dbraw/zinc/03/89/52/266038952.db2.gz CIMJYCQMBGUHRS-ZWKOTPCHSA-N 2 1 332.488 3.076 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1C ZINC000272293545 266811281 /nfs/dbraw/zinc/81/12/81/266811281.db2.gz FOSLOBIRZFMOCH-BXWFABGCSA-N 2 1 326.488 3.290 20 0 EGADMP CC1(C)OCc2cc(C[NH2+]C3CC[NH+](C4CCC4)CC3)ccc2O1 ZINC000274648536 267267621 /nfs/dbraw/zinc/26/76/21/267267621.db2.gz KXVINQROLZZVQO-UHFFFAOYSA-N 2 1 330.472 3.438 20 0 EGADMP Cc1n[nH]cc1CCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274897681 267303359 /nfs/dbraw/zinc/30/33/59/267303359.db2.gz KPLKCKOKJDVBST-OXJNMPFZSA-N 2 1 326.488 3.151 20 0 EGADMP C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274928854 267307849 /nfs/dbraw/zinc/30/78/49/267307849.db2.gz QNJYOSUNYDPKPG-XKGZKEIXSA-N 2 1 344.524 3.456 20 0 EGADMP C[C@H]([NH2+]CCCNc1ccccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274974819 267313753 /nfs/dbraw/zinc/31/37/53/267313753.db2.gz YLMHNZOONYRMJL-ICSRJNTNSA-N 2 1 338.499 3.384 20 0 EGADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OC(F)F ZINC000275278435 267340893 /nfs/dbraw/zinc/34/08/93/267340893.db2.gz MTJMXJLJDOXXEI-JSGCOSHPSA-N 2 1 328.403 3.069 20 0 EGADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OC(F)F ZINC000275278435 267340896 /nfs/dbraw/zinc/34/08/96/267340896.db2.gz MTJMXJLJDOXXEI-JSGCOSHPSA-N 2 1 328.403 3.069 20 0 EGADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000275278435 267340898 /nfs/dbraw/zinc/34/08/98/267340898.db2.gz MTJMXJLJDOXXEI-JSGCOSHPSA-N 2 1 328.403 3.069 20 0 EGADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000275278435 267340901 /nfs/dbraw/zinc/34/09/01/267340901.db2.gz MTJMXJLJDOXXEI-JSGCOSHPSA-N 2 1 328.403 3.069 20 0 EGADMP Brc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266293354 273474923 /nfs/dbraw/zinc/47/49/23/273474923.db2.gz XECBQFFGPPQQIQ-CQSZACIVSA-N 2 1 344.256 3.448 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000159045076 274019931 /nfs/dbraw/zinc/01/99/31/274019931.db2.gz WACHEAPHIDEJJR-KRWDZBQOSA-N 2 1 338.492 3.453 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000044533219 275131736 /nfs/dbraw/zinc/13/17/36/275131736.db2.gz RWSBXSFRIVIDNA-QWHCGFSZSA-N 2 1 341.293 3.450 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH+](C)C1CCCCC1)c1ccccc1 ZINC000110916588 275181819 /nfs/dbraw/zinc/18/18/19/275181819.db2.gz IRUHFCZSWDVTPJ-HXUWFJFHSA-N 2 1 345.531 3.450 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000110916588 275181820 /nfs/dbraw/zinc/18/18/20/275181820.db2.gz IRUHFCZSWDVTPJ-HXUWFJFHSA-N 2 1 345.531 3.450 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000110916588 275181821 /nfs/dbraw/zinc/18/18/21/275181821.db2.gz IRUHFCZSWDVTPJ-HXUWFJFHSA-N 2 1 345.531 3.450 20 0 EGADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC000179679834 275203008 /nfs/dbraw/zinc/20/30/08/275203008.db2.gz FSUWHRJRNNAKJX-UHFFFAOYSA-N 2 1 336.524 3.034 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC000179679834 275203009 /nfs/dbraw/zinc/20/30/09/275203009.db2.gz FSUWHRJRNNAKJX-UHFFFAOYSA-N 2 1 336.524 3.034 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000271906087 275240195 /nfs/dbraw/zinc/24/01/95/275240195.db2.gz WRIFTZUFYFZQLU-UHFFFAOYSA-N 2 1 333.907 3.156 20 0 EGADMP COc1cccc(C[C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C2CC2)c1 ZINC000279047405 275299011 /nfs/dbraw/zinc/29/90/11/275299011.db2.gz XUDZJUPBPRFSTE-APWZRJJASA-N 2 1 325.456 3.065 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H](OC)c2ccccc2)[C@H](C)C1 ZINC000279736219 275354754 /nfs/dbraw/zinc/35/47/54/275354754.db2.gz ODSIRJVUEVFFSM-QCFAMHMHSA-N 2 1 348.531 3.489 20 0 EGADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)[C@@H]1C ZINC000279868571 275367750 /nfs/dbraw/zinc/36/77/50/275367750.db2.gz JMGWCDNZBOUGMF-IMFGXOCKSA-N 2 1 344.499 3.002 20 0 EGADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)[C@@H]1C ZINC000279868571 275367752 /nfs/dbraw/zinc/36/77/52/275367752.db2.gz JMGWCDNZBOUGMF-IMFGXOCKSA-N 2 1 344.499 3.002 20 0 EGADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284471818 275803633 /nfs/dbraw/zinc/80/36/33/275803633.db2.gz VVLRZXGSJMGOQF-UHFFFAOYSA-N 2 1 342.487 3.004 20 0 EGADMP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000286212635 275965345 /nfs/dbraw/zinc/96/53/45/275965345.db2.gz SCBXIMOCYQNAED-HNNXBMFYSA-N 2 1 333.476 3.180 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000173895280 276074764 /nfs/dbraw/zinc/07/47/64/276074764.db2.gz PJHAGAUCONSULF-CYBMUJFWSA-N 2 1 341.858 3.081 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000173895280 276074765 /nfs/dbraw/zinc/07/47/65/276074765.db2.gz PJHAGAUCONSULF-CYBMUJFWSA-N 2 1 341.858 3.081 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000173895280 276074766 /nfs/dbraw/zinc/07/47/66/276074766.db2.gz PJHAGAUCONSULF-CYBMUJFWSA-N 2 1 341.858 3.081 20 0 EGADMP C[C@H](O)CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000287680711 276146732 /nfs/dbraw/zinc/14/67/32/276146732.db2.gz WFKXUXRXYRZJCS-OYNPSCLESA-N 2 1 330.516 3.428 20 0 EGADMP O[C@H](Cc1cccc(Cl)c1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000287765631 276155195 /nfs/dbraw/zinc/15/51/95/276155195.db2.gz MODMBGDLVJHYAU-AHRSYUTCSA-N 2 1 348.918 3.192 20 0 EGADMP O[C@H](Cc1cccc(Cl)c1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000287765631 276155196 /nfs/dbraw/zinc/15/51/96/276155196.db2.gz MODMBGDLVJHYAU-AHRSYUTCSA-N 2 1 348.918 3.192 20 0 EGADMP O[C@H](Cc1cccc(Cl)c1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000287765631 276155197 /nfs/dbraw/zinc/15/51/97/276155197.db2.gz MODMBGDLVJHYAU-AHRSYUTCSA-N 2 1 348.918 3.192 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C2CCSCC2)[C@H](C)C1 ZINC000187210695 276315474 /nfs/dbraw/zinc/31/54/74/276315474.db2.gz OXNASVFSKLZPHF-SOLBZPMBSA-N 2 1 328.566 3.245 20 0 EGADMP CCN(CCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)CC(F)(F)F ZINC000354823799 276343865 /nfs/dbraw/zinc/34/38/65/276343865.db2.gz XZRXEXUCUNUQLG-INIZCTEOSA-N 2 1 335.458 3.211 20 0 EGADMP CC[N@@H+](Cc1cc(C(=O)OC)co1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289492864 276347436 /nfs/dbraw/zinc/34/74/36/276347436.db2.gz RXMCTMQWSQUOJP-UHFFFAOYSA-N 2 1 330.428 3.150 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC000358426406 276364690 /nfs/dbraw/zinc/36/46/90/276364690.db2.gz MSMHUCYYTAYQDN-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358426406 276364692 /nfs/dbraw/zinc/36/46/92/276364692.db2.gz MSMHUCYYTAYQDN-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000358426406 276364693 /nfs/dbraw/zinc/36/46/93/276364693.db2.gz MSMHUCYYTAYQDN-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCO[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C12CCC2 ZINC000344087079 276365268 /nfs/dbraw/zinc/36/52/68/276365268.db2.gz MIBKDMMGNCLFQX-PMACEKPBSA-N 2 1 328.500 3.372 20 0 EGADMP CCO[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C12CCC2 ZINC000344087079 276365270 /nfs/dbraw/zinc/36/52/70/276365270.db2.gz MIBKDMMGNCLFQX-PMACEKPBSA-N 2 1 328.500 3.372 20 0 EGADMP CCOc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)CCOCC2)cc1 ZINC000360597595 276372681 /nfs/dbraw/zinc/37/26/81/276372681.db2.gz MCPGBGIXBUUHFP-YLJYHZDGSA-N 2 1 346.515 3.063 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC3CC(F)(F)C3)CC2)cc1 ZINC000291721403 276681885 /nfs/dbraw/zinc/68/18/85/276681885.db2.gz MRHXYLJOMYXKAY-UHFFFAOYSA-N 2 1 326.406 3.468 20 0 EGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000368950501 277038442 /nfs/dbraw/zinc/03/84/42/277038442.db2.gz MNZFDYPWNKNPQJ-UHFFFAOYSA-N 2 1 330.472 3.392 20 0 EGADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCCCC1 ZINC000358733684 278207790 /nfs/dbraw/zinc/20/77/90/278207790.db2.gz IBVXCABSTUWNCR-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccco1 ZINC000246821083 278345256 /nfs/dbraw/zinc/34/52/56/278345256.db2.gz BEFKQCSGVJLJBE-MJGOQNOKSA-N 2 1 327.472 3.309 20 0 EGADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000342756208 278395779 /nfs/dbraw/zinc/39/57/79/278395779.db2.gz SSPVPOQQMHZRPQ-AUUYWEPGSA-N 2 1 336.907 3.352 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000155678038 288102826 /nfs/dbraw/zinc/10/28/26/288102826.db2.gz PSRNMQJBFSSTKM-HLIPFELVSA-N 2 1 329.532 3.142 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000155678038 288102827 /nfs/dbraw/zinc/10/28/27/288102827.db2.gz PSRNMQJBFSSTKM-HLIPFELVSA-N 2 1 329.532 3.142 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000155678038 288102829 /nfs/dbraw/zinc/10/28/29/288102829.db2.gz PSRNMQJBFSSTKM-HLIPFELVSA-N 2 1 329.532 3.142 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000155678038 288102831 /nfs/dbraw/zinc/10/28/31/288102831.db2.gz PSRNMQJBFSSTKM-HLIPFELVSA-N 2 1 329.532 3.142 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000155678038 288102833 /nfs/dbraw/zinc/10/28/33/288102833.db2.gz PSRNMQJBFSSTKM-HLIPFELVSA-N 2 1 329.532 3.142 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000092587396 288153314 /nfs/dbraw/zinc/15/33/14/288153314.db2.gz VUGASHVRXWNJBM-IYBDPMFKSA-N 2 1 348.535 3.028 20 0 EGADMP C[C@H](c1ccccc1)[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC1CCC1 ZINC000338310607 290254731 /nfs/dbraw/zinc/25/47/31/290254731.db2.gz ZOYZFDLIDORLOX-GOSISDBHSA-N 2 1 343.515 3.014 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC1CCC1 ZINC000338310607 290254736 /nfs/dbraw/zinc/25/47/36/290254736.db2.gz ZOYZFDLIDORLOX-GOSISDBHSA-N 2 1 343.515 3.014 20 0 EGADMP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1CCCC1 ZINC000064021592 307356288 /nfs/dbraw/zinc/35/62/88/307356288.db2.gz IXZDTSOAGLGRHV-UHFFFAOYSA-N 2 1 343.515 3.021 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000072488992 307379253 /nfs/dbraw/zinc/37/92/53/307379253.db2.gz LUBBIWLAUMRITN-CQSZACIVSA-N 2 1 346.393 3.238 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000072488992 307379256 /nfs/dbraw/zinc/37/92/56/307379256.db2.gz LUBBIWLAUMRITN-CQSZACIVSA-N 2 1 346.393 3.238 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000072488992 307379257 /nfs/dbraw/zinc/37/92/57/307379257.db2.gz LUBBIWLAUMRITN-CQSZACIVSA-N 2 1 346.393 3.238 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000072488992 307379259 /nfs/dbraw/zinc/37/92/59/307379259.db2.gz LUBBIWLAUMRITN-CQSZACIVSA-N 2 1 346.393 3.238 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000072858978 307382878 /nfs/dbraw/zinc/38/28/78/307382878.db2.gz RDBQRJTVUCLXQT-AWEZNQCLSA-N 2 1 330.394 3.401 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000072858978 307382879 /nfs/dbraw/zinc/38/28/79/307382879.db2.gz RDBQRJTVUCLXQT-AWEZNQCLSA-N 2 1 330.394 3.401 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000072858978 307382881 /nfs/dbraw/zinc/38/28/81/307382881.db2.gz RDBQRJTVUCLXQT-AWEZNQCLSA-N 2 1 330.394 3.401 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000072858978 307382883 /nfs/dbraw/zinc/38/28/83/307382883.db2.gz RDBQRJTVUCLXQT-AWEZNQCLSA-N 2 1 330.394 3.401 20 0 EGADMP Cc1ccc(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1F ZINC000123480682 307539706 /nfs/dbraw/zinc/53/97/06/307539706.db2.gz IYIOEWBPFMXGCJ-UHFFFAOYSA-N 2 1 335.467 3.126 20 0 EGADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414115663 309061792 /nfs/dbraw/zinc/06/17/92/309061792.db2.gz NILASRACOXCXMX-CVEARBPZSA-N 2 1 344.528 3.097 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000414191482 309065846 /nfs/dbraw/zinc/06/58/46/309065846.db2.gz SOCGJOKQQVKRBM-IEBWSBKVSA-N 2 1 326.488 3.314 20 0 EGADMP Cc1occc1C[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000414271577 309069853 /nfs/dbraw/zinc/06/98/53/309069853.db2.gz QWUVTCVKNPMZRB-IYBDPMFKSA-N 2 1 328.456 3.487 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000414380750 309076628 /nfs/dbraw/zinc/07/66/28/309076628.db2.gz JPMVBLOYENFKFJ-UHFFFAOYSA-N 2 1 330.451 3.093 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000248390023 308001860 /nfs/dbraw/zinc/00/18/60/308001860.db2.gz TUFHYFJKTZPSSK-IRXDYDNUSA-N 2 1 339.524 3.098 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@@H]1CCCO1 ZINC000248410139 308002183 /nfs/dbraw/zinc/00/21/83/308002183.db2.gz GSGQJGBMUOWQDG-IFLJBQAJSA-N 2 1 328.500 3.444 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccc(Cl)c(F)c3)CC[C@H]21 ZINC000248846814 308013027 /nfs/dbraw/zinc/01/30/27/308013027.db2.gz NHUPSOLBPKJTOE-SUMWQHHRSA-N 2 1 326.843 3.274 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccc(Cl)c(F)c3)CC[C@H]21 ZINC000248846814 308013028 /nfs/dbraw/zinc/01/30/28/308013028.db2.gz NHUPSOLBPKJTOE-SUMWQHHRSA-N 2 1 326.843 3.274 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccc(Cl)c(F)c3)CC[C@H]21 ZINC000248846814 308013030 /nfs/dbraw/zinc/01/30/30/308013030.db2.gz NHUPSOLBPKJTOE-SUMWQHHRSA-N 2 1 326.843 3.274 20 0 EGADMP FC(F)COCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248889652 308014439 /nfs/dbraw/zinc/01/44/39/308014439.db2.gz AQCAAVUVAKLEGV-KZNAEPCWSA-N 2 1 338.442 3.158 20 0 EGADMP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)no1 ZINC000293217390 308110455 /nfs/dbraw/zinc/11/04/55/308110455.db2.gz GOMCDEFKMKDYPS-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)no1 ZINC000293217390 308110457 /nfs/dbraw/zinc/11/04/57/308110457.db2.gz GOMCDEFKMKDYPS-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP Cc1cnc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000293262481 308115048 /nfs/dbraw/zinc/11/50/48/308115048.db2.gz IYBDMDMUHZDAPN-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP Cc1cnc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000293262481 308115049 /nfs/dbraw/zinc/11/50/49/308115049.db2.gz IYBDMDMUHZDAPN-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000294713298 308248951 /nfs/dbraw/zinc/24/89/51/308248951.db2.gz HKDQKSCIVDEQPM-FUHWJXTLSA-N 2 1 343.496 3.010 20 0 EGADMP C[C@H](CCCO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000294864928 308265676 /nfs/dbraw/zinc/26/56/76/308265676.db2.gz UERQCXJIQBRTPW-GFOJFJKKSA-N 2 1 330.516 3.285 20 0 EGADMP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000295008365 308281050 /nfs/dbraw/zinc/28/10/50/308281050.db2.gz JDUFKDPPFVBOIQ-CRSSMBPESA-N 2 1 328.500 3.038 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000295123929 308294314 /nfs/dbraw/zinc/29/43/14/308294314.db2.gz XQKFGMSVCLPTAO-IHWFROFDSA-N 2 1 329.532 3.359 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295123929 308294315 /nfs/dbraw/zinc/29/43/15/308294315.db2.gz XQKFGMSVCLPTAO-IHWFROFDSA-N 2 1 329.532 3.359 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295123929 308294316 /nfs/dbraw/zinc/29/43/16/308294316.db2.gz XQKFGMSVCLPTAO-IHWFROFDSA-N 2 1 329.532 3.359 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000295123929 308294317 /nfs/dbraw/zinc/29/43/17/308294317.db2.gz XQKFGMSVCLPTAO-IHWFROFDSA-N 3 1 329.532 3.359 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000295123929 308294318 /nfs/dbraw/zinc/29/43/18/308294318.db2.gz XQKFGMSVCLPTAO-IHWFROFDSA-N 3 1 329.532 3.359 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295123929 308294319 /nfs/dbraw/zinc/29/43/19/308294319.db2.gz XQKFGMSVCLPTAO-IHWFROFDSA-N 3 1 329.532 3.359 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295123929 308294320 /nfs/dbraw/zinc/29/43/20/308294320.db2.gz XQKFGMSVCLPTAO-IHWFROFDSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(F)ncc1F ZINC000295588537 308341091 /nfs/dbraw/zinc/34/10/91/308341091.db2.gz DZRCYDHUINBKCQ-KSSFIOAISA-N 2 1 331.410 3.360 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000296069555 308390451 /nfs/dbraw/zinc/39/04/51/308390451.db2.gz SCJFMURUCDDZIQ-VQIMIIECSA-N 2 1 342.487 3.399 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)NCCCC[NH3+])C1CCCCC1 ZINC000414707591 309096422 /nfs/dbraw/zinc/09/64/22/309096422.db2.gz IBBSJZHHZGURGR-UHFFFAOYSA-N 2 1 332.492 3.312 20 0 EGADMP CCOc1cc2c(cc1OCC)C[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000414682060 309095212 /nfs/dbraw/zinc/09/52/12/309095212.db2.gz XNCYUKKIOTZJAW-JKSUJKDBSA-N 2 1 332.488 3.230 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000414719126 309097413 /nfs/dbraw/zinc/09/74/13/309097413.db2.gz XKOBAIWAZUZJIC-LJQANCHMSA-N 2 1 344.503 3.310 20 0 EGADMP Clc1cccc(N2CCCC2)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414772167 309100023 /nfs/dbraw/zinc/10/00/23/309100023.db2.gz TZTSCDLZNANKRV-IYBDPMFKSA-N 2 1 333.907 3.372 20 0 EGADMP Brc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000414775293 309100362 /nfs/dbraw/zinc/10/03/62/309100362.db2.gz GLBHKBMIRKQFBQ-OLZOCXBDSA-N 2 1 329.307 3.332 20 0 EGADMP CCCOc1ccc(Br)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000414784310 309101027 /nfs/dbraw/zinc/10/10/27/309101027.db2.gz HCILYHHENJQNPP-UHFFFAOYSA-N 2 1 327.266 3.080 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)CC12CCOCC2 ZINC000414788034 309101380 /nfs/dbraw/zinc/10/13/80/309101380.db2.gz MSOXYKICNVAHJX-GOSISDBHSA-N 2 1 344.499 3.195 20 0 EGADMP CCOCc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414789208 309101562 /nfs/dbraw/zinc/10/15/62/309101562.db2.gz XZLMQOSKSWMKFZ-ROUUACIJSA-N 2 1 332.488 3.053 20 0 EGADMP Fc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1Br ZINC000298218823 308594436 /nfs/dbraw/zinc/59/44/36/308594436.db2.gz AFGCMPBPUGRJDJ-UHFFFAOYSA-N 2 1 341.268 3.347 20 0 EGADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)ccc1OCc1ccccc1 ZINC000414795758 309101992 /nfs/dbraw/zinc/10/19/92/309101992.db2.gz HCQVASDZNOZDBD-SFHVURJKSA-N 2 1 326.440 3.101 20 0 EGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000414814745 309103383 /nfs/dbraw/zinc/10/33/83/309103383.db2.gz WIRUEOWLQPFBME-UHFFFAOYSA-N 2 1 343.471 3.276 20 0 EGADMP [NH3+][C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000414829183 309104306 /nfs/dbraw/zinc/10/43/06/309104306.db2.gz KIKYZENOZTVNQY-FNAHDJPLSA-N 2 1 335.495 3.187 20 0 EGADMP COc1cc(C[NH2+][C@@H](C[NH3+])CC(C)C)ccc1OCc1ccncc1 ZINC000414832904 309104526 /nfs/dbraw/zinc/10/45/26/309104526.db2.gz FEZLMVPNYGXUNM-GOSISDBHSA-N 2 1 343.471 3.132 20 0 EGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)C1CCCCC1 ZINC000414838346 309104859 /nfs/dbraw/zinc/10/48/59/309104859.db2.gz KKXGYUNUZPDSOI-UXHICEINSA-N 2 1 332.488 3.242 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390423890 308900966 /nfs/dbraw/zinc/90/09/66/308900966.db2.gz SYOQKTWUMPWAJO-YLJYHZDGSA-N 2 1 326.488 3.332 20 0 EGADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413166328 309019156 /nfs/dbraw/zinc/01/91/56/309019156.db2.gz KFEKTOKKVBZZLD-WOJBJXKFSA-N 2 1 341.499 3.029 20 0 EGADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414855260 309105858 /nfs/dbraw/zinc/10/58/58/309105858.db2.gz WNOTYOCXKCMSEH-HNNXBMFYSA-N 2 1 341.902 3.407 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414863156 309106178 /nfs/dbraw/zinc/10/61/78/309106178.db2.gz XZNNXWQLZCTFGI-DZGCQCFKSA-N 2 1 332.879 3.312 20 0 EGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414898016 309107976 /nfs/dbraw/zinc/10/79/76/309107976.db2.gz FNXXVQNIBPJFLB-HXUWFJFHSA-N 2 1 326.488 3.475 20 0 EGADMP FC(F)Oc1ccc(Br)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415066054 309117930 /nfs/dbraw/zinc/11/79/30/309117930.db2.gz INPFGUMBYJJJED-UHFFFAOYSA-N 2 1 349.219 3.282 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC[NH2+]1 ZINC000414945183 309110572 /nfs/dbraw/zinc/11/05/72/309110572.db2.gz HZPGHBSUJOCCGX-KBRIMQKVSA-N 2 1 338.879 3.128 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415032844 309115500 /nfs/dbraw/zinc/11/55/00/309115500.db2.gz AZQISBPUSNTBCJ-GJZGRUSLSA-N 2 1 340.414 3.261 20 0 EGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000415139470 309123448 /nfs/dbraw/zinc/12/34/48/309123448.db2.gz ZSQVMEGMUXQTCX-SJORKVTESA-N 2 1 326.843 3.197 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000415932139 309149599 /nfs/dbraw/zinc/14/95/99/309149599.db2.gz MIQHDBLHHWEWBR-INIZCTEOSA-N 2 1 344.503 3.134 20 0 EGADMP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000415944047 309150524 /nfs/dbraw/zinc/15/05/24/309150524.db2.gz NPEPVKOLEITNDY-UHFFFAOYSA-N 2 1 340.471 3.050 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415966846 309151745 /nfs/dbraw/zinc/15/17/45/309151745.db2.gz ARDHGTMVSDZBIR-OAHLLOKOSA-N 2 1 332.492 3.038 20 0 EGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417710820 309219193 /nfs/dbraw/zinc/21/91/93/309219193.db2.gz XVPFXSATSARSAU-OALUTQOASA-N 2 1 346.519 3.030 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)n(C)n1 ZINC000417871837 309226129 /nfs/dbraw/zinc/22/61/29/309226129.db2.gz MPUSIMWJIUBVRZ-QGZVFWFLSA-N 2 1 326.488 3.393 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)n(C)n1 ZINC000417871837 309226130 /nfs/dbraw/zinc/22/61/30/309226130.db2.gz MPUSIMWJIUBVRZ-QGZVFWFLSA-N 2 1 326.488 3.393 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)n(C)n1 ZINC000417874091 309226192 /nfs/dbraw/zinc/22/61/92/309226192.db2.gz OZNOASTXTQLOQV-QGZVFWFLSA-N 2 1 326.488 3.393 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000419337872 309264820 /nfs/dbraw/zinc/26/48/20/309264820.db2.gz YMYHHMDNTZWRAJ-ZWKOTPCHSA-N 2 1 337.552 3.122 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2c2nccs2)cc1 ZINC000420311998 309281290 /nfs/dbraw/zinc/28/12/90/309281290.db2.gz HLSRNJLCBXDTHJ-DOTOQJQBSA-N 2 1 331.485 3.421 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCC[C@@H]2c2nccs2)cc1 ZINC000420311998 309281291 /nfs/dbraw/zinc/28/12/91/309281291.db2.gz HLSRNJLCBXDTHJ-DOTOQJQBSA-N 2 1 331.485 3.421 20 0 EGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000420325023 309282471 /nfs/dbraw/zinc/28/24/71/309282471.db2.gz VXQNFGLFPOKESW-GFCCVEGCSA-N 2 1 344.286 3.253 20 0 EGADMP Fc1ccc([C@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)c(Cl)c1 ZINC000420363932 309284305 /nfs/dbraw/zinc/28/43/05/309284305.db2.gz CEPZHPFKIKXCOC-QGZVFWFLSA-N 2 1 326.843 3.242 20 0 EGADMP Fc1ccc([C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)c(Cl)c1 ZINC000420363932 309284306 /nfs/dbraw/zinc/28/43/06/309284306.db2.gz CEPZHPFKIKXCOC-QGZVFWFLSA-N 2 1 326.843 3.242 20 0 EGADMP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CCC4CC[NH2+]CC4)C3)nc2c1 ZINC000420363035 309284352 /nfs/dbraw/zinc/28/43/52/309284352.db2.gz OUCBGZDXPZQXLP-QGZVFWFLSA-N 2 1 326.488 3.440 20 0 EGADMP Cc1ccc2nc([C@@H]3CCC[N@H+](CCC4CC[NH2+]CC4)C3)[nH]c2c1 ZINC000420363035 309284353 /nfs/dbraw/zinc/28/43/53/309284353.db2.gz OUCBGZDXPZQXLP-QGZVFWFLSA-N 2 1 326.488 3.440 20 0 EGADMP Cc1ccc2nc([C@@H]3CCC[N@@H+](CCC4CC[NH2+]CC4)C3)[nH]c2c1 ZINC000420363035 309284354 /nfs/dbraw/zinc/28/43/54/309284354.db2.gz OUCBGZDXPZQXLP-QGZVFWFLSA-N 2 1 326.488 3.440 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CC[C@H]4CCC[NH2+]C4)CC[C@H]32)cc1 ZINC000420367675 309284484 /nfs/dbraw/zinc/28/44/84/309284484.db2.gz HIQRHSUSFBJAGX-CEMLEFRQSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CC[C@H]4CCC[NH2+]C4)CC[C@H]32)cc1 ZINC000420367675 309284485 /nfs/dbraw/zinc/28/44/85/309284485.db2.gz HIQRHSUSFBJAGX-CEMLEFRQSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CC[C@H]4CCC[NH2+]C4)CC[C@H]32)cc1 ZINC000420367675 309284486 /nfs/dbraw/zinc/28/44/86/309284486.db2.gz HIQRHSUSFBJAGX-CEMLEFRQSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3CN(CC[C@H]4CCC[NH2+]C4)CC[C@H]32)cc1 ZINC000420367675 309284487 /nfs/dbraw/zinc/28/44/87/309284487.db2.gz HIQRHSUSFBJAGX-CEMLEFRQSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(CC[C@H]4CCC[NH2+]C4)CC[C@H]32)cc1 ZINC000420367675 309284488 /nfs/dbraw/zinc/28/44/88/309284488.db2.gz HIQRHSUSFBJAGX-CEMLEFRQSA-N 2 1 341.543 3.363 20 0 EGADMP COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@H+]2CCOCC[NH3+])c1 ZINC000420370574 309284736 /nfs/dbraw/zinc/28/47/36/309284736.db2.gz JPRVBXILSXYPTE-NHCUHLMSSA-N 2 1 340.467 3.201 20 0 EGADMP FC(F)(F)c1ccccc1[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000420373227 309284930 /nfs/dbraw/zinc/28/49/30/309284930.db2.gz MHAUQUGEBGVGPB-QGZVFWFLSA-N 2 1 342.405 3.468 20 0 EGADMP FC(F)(F)c1ccccc1[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000420373227 309284931 /nfs/dbraw/zinc/28/49/31/309284931.db2.gz MHAUQUGEBGVGPB-QGZVFWFLSA-N 2 1 342.405 3.468 20 0 EGADMP FC(F)(F)Oc1ccc(OCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420386806 309285824 /nfs/dbraw/zinc/28/58/24/309285824.db2.gz VRZANXHYJZTTIS-INIZCTEOSA-N 2 1 344.377 3.040 20 0 EGADMP FC(F)(F)Oc1ccc(OCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420386806 309285825 /nfs/dbraw/zinc/28/58/25/309285825.db2.gz VRZANXHYJZTTIS-INIZCTEOSA-N 2 1 344.377 3.040 20 0 EGADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC(OC(C)(C)C)C1 ZINC000421000958 309306776 /nfs/dbraw/zinc/30/67/76/309306776.db2.gz DYVFBBFUEZSZMW-UHFFFAOYSA-N 2 1 346.515 3.297 20 0 EGADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC(OC(C)(C)C)C1 ZINC000421000958 309306777 /nfs/dbraw/zinc/30/67/77/309306777.db2.gz DYVFBBFUEZSZMW-UHFFFAOYSA-N 2 1 346.515 3.297 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc([C@@H]4C[C@H]4C)o3)CC2)CC1 ZINC000421367215 309320916 /nfs/dbraw/zinc/32/09/16/309320916.db2.gz DWEQJGGERBQLOL-YLJYHZDGSA-N 2 1 345.531 3.395 20 0 EGADMP Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc(C)n1 ZINC000421576025 309330403 /nfs/dbraw/zinc/33/04/03/309330403.db2.gz LKHRZFGNHRBHTG-IBGZPJMESA-N 2 1 341.430 3.118 20 0 EGADMP Cc1cc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc(C)n1 ZINC000421576025 309330404 /nfs/dbraw/zinc/33/04/04/309330404.db2.gz LKHRZFGNHRBHTG-IBGZPJMESA-N 2 1 341.430 3.118 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(OC)c1OC ZINC000422698291 309363605 /nfs/dbraw/zinc/36/36/05/309363605.db2.gz YNRVEDFGMUWXNJ-BRWVUGGUSA-N 2 1 348.487 3.113 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000422721474 309364749 /nfs/dbraw/zinc/36/47/49/309364749.db2.gz NYPYRRKTIGBUMM-KRWDZBQOSA-N 2 1 337.467 3.054 20 0 EGADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422726591 309365208 /nfs/dbraw/zinc/36/52/08/309365208.db2.gz FLRWSUOUUIYQJZ-XKQJLSEDSA-N 2 1 341.421 3.010 20 0 EGADMP CCc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000422730824 309365579 /nfs/dbraw/zinc/36/55/79/309365579.db2.gz KLWMMURLPKHDJW-NCYKPQTJSA-N 2 1 329.532 3.362 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422746456 309366203 /nfs/dbraw/zinc/36/62/03/309366203.db2.gz WNUOKSYBEKGBQV-OAHLLOKOSA-N 3 1 326.488 3.151 20 0 EGADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422794469 309368663 /nfs/dbraw/zinc/36/86/63/309368663.db2.gz GSVYHODUIWJWJC-OXJNMPFZSA-N 2 1 339.483 3.329 20 0 EGADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422794470 309368700 /nfs/dbraw/zinc/36/87/00/309368700.db2.gz GSVYHODUIWJWJC-OXQOHEQNSA-N 2 1 339.483 3.329 20 0 EGADMP CCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1OC ZINC000422846551 309371788 /nfs/dbraw/zinc/37/17/88/309371788.db2.gz QBHOSYXTLQYWTI-YJBOKZPZSA-N 2 1 328.456 3.142 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422878683 309373560 /nfs/dbraw/zinc/37/35/60/309373560.db2.gz JPAMLSYJIHDWID-LQWHRVPQSA-N 3 1 329.532 3.396 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422878683 309373561 /nfs/dbraw/zinc/37/35/61/309373561.db2.gz JPAMLSYJIHDWID-LQWHRVPQSA-N 2 1 329.532 3.396 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422878683 309373562 /nfs/dbraw/zinc/37/35/62/309373562.db2.gz JPAMLSYJIHDWID-LQWHRVPQSA-N 2 1 329.532 3.396 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000422888187 309374291 /nfs/dbraw/zinc/37/42/91/309374291.db2.gz BZCAXTWPPANVHP-HOJAQTOUSA-N 2 1 343.515 3.251 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CCN(c2cc(Cl)ccc2OC)C1)[C@@H]1CCC[NH2+]1 ZINC000422910889 309375843 /nfs/dbraw/zinc/37/58/43/309375843.db2.gz RTCILSKSFMTCEI-XHSDSOJGSA-N 2 1 337.895 3.048 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)CCCC[NH3+])CC2)cs1 ZINC000422910203 309375905 /nfs/dbraw/zinc/37/59/05/309375905.db2.gz HORYDTLFXXLEHE-HNNXBMFYSA-N 3 1 338.565 3.025 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422937913 309377178 /nfs/dbraw/zinc/37/71/78/309377178.db2.gz DGCGOFWUONTQNN-KSSFIOAISA-N 2 1 334.410 3.379 20 0 EGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)c2ccccc21 ZINC000422959653 309378345 /nfs/dbraw/zinc/37/83/45/309378345.db2.gz TURFQNMSQNCZQY-PMACEKPBSA-N 2 1 335.451 3.043 20 0 EGADMP COc1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)O[C@H](C)C2 ZINC000422963928 309378579 /nfs/dbraw/zinc/37/85/79/309378579.db2.gz HITAEVDTARYVCK-BNEJOLLZSA-N 2 1 330.472 3.029 20 0 EGADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422965429 309378825 /nfs/dbraw/zinc/37/88/25/309378825.db2.gz OOKBKMNWNNSJIT-YLJYHZDGSA-N 2 1 326.488 3.234 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423003014 309380315 /nfs/dbraw/zinc/38/03/15/309380315.db2.gz KNKORODQQWWIMV-ZFMNYDKASA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCN1 ZINC000423003014 309380316 /nfs/dbraw/zinc/38/03/16/309380316.db2.gz KNKORODQQWWIMV-ZFMNYDKASA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCN1 ZINC000423003014 309380317 /nfs/dbraw/zinc/38/03/17/309380317.db2.gz KNKORODQQWWIMV-ZFMNYDKASA-N 2 1 329.532 3.407 20 0 EGADMP CC[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423005145 309380659 /nfs/dbraw/zinc/38/06/59/309380659.db2.gz QWJGWQLKMOGKKQ-PBASOCQRSA-N 3 1 329.532 3.407 20 0 EGADMP CC[C@H](NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423005145 309380660 /nfs/dbraw/zinc/38/06/60/309380660.db2.gz QWJGWQLKMOGKKQ-PBASOCQRSA-N 2 1 329.532 3.407 20 0 EGADMP CC[C@H](NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423005145 309380661 /nfs/dbraw/zinc/38/06/61/309380661.db2.gz QWJGWQLKMOGKKQ-PBASOCQRSA-N 2 1 329.532 3.407 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c2ccccc21 ZINC000423014449 309380993 /nfs/dbraw/zinc/38/09/93/309380993.db2.gz PCKDFTDUNHVNLY-XPGWFJOJSA-N 2 1 337.467 3.032 20 0 EGADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000423046787 309382714 /nfs/dbraw/zinc/38/27/14/309382714.db2.gz FTCPSIDNRAMTQL-WFVVYAPDSA-N 2 1 341.421 3.181 20 0 EGADMP Brc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CS2 ZINC000423083782 309385066 /nfs/dbraw/zinc/38/50/66/309385066.db2.gz GWZMBAUDZWEANO-IIKSMHAQSA-N 2 1 339.302 3.469 20 0 EGADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1C(F)(F)F ZINC000423093241 309385564 /nfs/dbraw/zinc/38/55/64/309385564.db2.gz GRXLZELHPAQNAA-OUEWMDHJSA-N 2 1 348.796 3.265 20 0 EGADMP COCc1nc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(-c2ccccc2)s1 ZINC000423102657 309386111 /nfs/dbraw/zinc/38/61/11/309386111.db2.gz OKHBNIFCDVYVQZ-HUUCEWRRSA-N 2 1 331.485 3.174 20 0 EGADMP c1csc(N2CCC([NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)n1 ZINC000423109253 309386355 /nfs/dbraw/zinc/38/63/55/309386355.db2.gz UREQKPYPZXRUBH-QZTJIDSGSA-N 2 1 342.512 3.195 20 0 EGADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423112607 309386716 /nfs/dbraw/zinc/38/67/16/309386716.db2.gz SFDGVLRSYHYHIO-DGCLKSJQSA-N 2 1 332.366 3.201 20 0 EGADMP CC[C@@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423144360 309388142 /nfs/dbraw/zinc/38/81/42/309388142.db2.gz YRWXSXBGWPIFPE-HBMCJLEFSA-N 2 1 329.532 3.409 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000423167821 309389013 /nfs/dbraw/zinc/38/90/13/309389013.db2.gz XHJKULOGKFFXRZ-CVEARBPZSA-N 2 1 330.451 3.412 20 0 EGADMP CC1(C)[C@@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000423169754 309389083 /nfs/dbraw/zinc/38/90/83/309389083.db2.gz KKQQQXWVDFSHEG-RMMWZPCPSA-N 2 1 328.500 3.173 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](N[C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423188644 309389767 /nfs/dbraw/zinc/38/97/67/309389767.db2.gz LYAGSXOMFZMMHI-BQJUDKOJSA-N 3 1 327.516 3.019 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H](NCC[NH2+]C2CCCCCC2)[C@H](C)C1 ZINC000423282061 309393895 /nfs/dbraw/zinc/39/38/95/309393895.db2.gz URWRVFFMXFZPDE-UYAOXDASSA-N 2 1 339.568 3.025 20 0 EGADMP Clc1cc(Br)ccc1[C@@H]([NH2+]CC1C[NH2+]C1)C1CC1 ZINC000423304486 309394592 /nfs/dbraw/zinc/39/45/92/309394592.db2.gz OAJYHTXVHKBFNS-AWEZNQCLSA-N 2 1 329.669 3.363 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC[NH2+]1 ZINC000423363576 309397102 /nfs/dbraw/zinc/39/71/02/309397102.db2.gz APZNDQOYFHMLON-OSQNNJELSA-N 2 1 327.241 3.306 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]1 ZINC000423387609 309398102 /nfs/dbraw/zinc/39/81/02/309398102.db2.gz SOXZBLJLSBZNRM-RSRIQPTJSA-N 2 1 327.516 3.017 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]1 ZINC000423387609 309398103 /nfs/dbraw/zinc/39/81/03/309398103.db2.gz SOXZBLJLSBZNRM-RSRIQPTJSA-N 3 1 327.516 3.017 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]1 ZINC000423387609 309398104 /nfs/dbraw/zinc/39/81/04/309398104.db2.gz SOXZBLJLSBZNRM-RSRIQPTJSA-N 3 1 327.516 3.017 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(OC(F)(F)F)cc1 ZINC000423492703 309402876 /nfs/dbraw/zinc/40/28/76/309402876.db2.gz OIHCCFRWXCVCEK-CABCVRRESA-N 2 1 332.366 3.004 20 0 EGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(OCc2ccccc2)c1 ZINC000423527814 309405171 /nfs/dbraw/zinc/40/51/71/309405171.db2.gz VZQHFXPESZTYEZ-LAUBAEHRSA-N 2 1 340.467 3.295 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)CC1 ZINC000441069087 309861577 /nfs/dbraw/zinc/86/15/77/309861577.db2.gz UXGLLZZDKBEOOY-QGZVFWFLSA-N 2 1 333.495 3.377 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+](CCc3ccccc3Cl)CC2)CC1 ZINC000441073484 309861627 /nfs/dbraw/zinc/86/16/27/309861627.db2.gz LFMMNJWGCFWHDW-UHFFFAOYSA-N 2 1 349.950 3.373 20 0 EGADMP C[C@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000448552474 310006068 /nfs/dbraw/zinc/00/60/68/310006068.db2.gz ZVQPHDFXUFIEPR-FPOVZHCZSA-N 2 1 329.532 3.315 20 0 EGADMP C[C@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@H+](Cc2ccccc2)C1 ZINC000448552474 310006069 /nfs/dbraw/zinc/00/60/69/310006069.db2.gz ZVQPHDFXUFIEPR-FPOVZHCZSA-N 2 1 329.532 3.315 20 0 EGADMP C[C@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@@H+](Cc2ccccc2)C1 ZINC000448552474 310006070 /nfs/dbraw/zinc/00/60/70/310006070.db2.gz ZVQPHDFXUFIEPR-FPOVZHCZSA-N 2 1 329.532 3.315 20 0 EGADMP C[C@H]1CN(CC[C@H]2CCCC[N@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000448552475 310006094 /nfs/dbraw/zinc/00/60/94/310006094.db2.gz ZVQPHDFXUFIEPR-PZJWPPBQSA-N 2 1 329.532 3.315 20 0 EGADMP C[C@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@H+](Cc2ccccc2)C1 ZINC000448552475 310006095 /nfs/dbraw/zinc/00/60/95/310006095.db2.gz ZVQPHDFXUFIEPR-PZJWPPBQSA-N 2 1 329.532 3.315 20 0 EGADMP C[C@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@@H+](Cc2ccccc2)C1 ZINC000448552475 310006096 /nfs/dbraw/zinc/00/60/96/310006096.db2.gz ZVQPHDFXUFIEPR-PZJWPPBQSA-N 2 1 329.532 3.315 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000449092027 310036315 /nfs/dbraw/zinc/03/63/15/310036315.db2.gz KZLDINPHCHLFSW-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000449092027 310036316 /nfs/dbraw/zinc/03/63/16/310036316.db2.gz KZLDINPHCHLFSW-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000449121390 310038598 /nfs/dbraw/zinc/03/85/98/310038598.db2.gz HQFDDYSQXDMVKN-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449149454 310040497 /nfs/dbraw/zinc/04/04/97/310040497.db2.gz NOSJVLKWCWZBKG-FDYSRKEFSA-N 2 1 338.536 3.083 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CSC[C@H]3C)CC2)cs1 ZINC000449150472 310040665 /nfs/dbraw/zinc/04/06/65/310040665.db2.gz RHFPPGGUSBIOIY-CJNGLKHVSA-N 2 1 339.574 3.259 20 0 EGADMP COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc2ccccc21 ZINC000449287376 310050373 /nfs/dbraw/zinc/05/03/73/310050373.db2.gz WOXHYEKERRPCET-QGZVFWFLSA-N 2 1 342.483 3.439 20 0 EGADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449592872 310074347 /nfs/dbraw/zinc/07/43/47/310074347.db2.gz ZDBZBULGJZBXAJ-NBYUQASBSA-N 2 1 344.499 3.218 20 0 EGADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449592864 310074415 /nfs/dbraw/zinc/07/44/15/310074415.db2.gz ZDBZBULGJZBXAJ-AFYVEPGGSA-N 2 1 344.499 3.218 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccsc1 ZINC000449799803 310087960 /nfs/dbraw/zinc/08/79/60/310087960.db2.gz AWRIUEVMQASCET-MSOLQXFVSA-N 2 1 349.544 3.264 20 0 EGADMP CC(C)C[C@@H](C)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450645687 310134763 /nfs/dbraw/zinc/13/47/63/310134763.db2.gz GGCDVYLMDKBYJJ-KURKYZTESA-N 2 1 326.525 3.011 20 0 EGADMP CC(C)C[C@@H](C)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450645687 310134764 /nfs/dbraw/zinc/13/47/64/310134764.db2.gz GGCDVYLMDKBYJJ-KURKYZTESA-N 2 1 326.525 3.011 20 0 EGADMP CCC(C)(C)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451539453 310183965 /nfs/dbraw/zinc/18/39/65/310183965.db2.gz VKXSUAKSCQLOKI-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC(C)(C)CC[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451539453 310183966 /nfs/dbraw/zinc/18/39/66/310183966.db2.gz VKXSUAKSCQLOKI-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC(C)(C)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451539453 310183967 /nfs/dbraw/zinc/18/39/67/310183967.db2.gz VKXSUAKSCQLOKI-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC(C)(C)CC[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451539453 310183968 /nfs/dbraw/zinc/18/39/68/310183968.db2.gz VKXSUAKSCQLOKI-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP C[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H](CO)CC(C)(C)C ZINC000451776554 310196749 /nfs/dbraw/zinc/19/67/49/310196749.db2.gz AOPWWNYMRDHHOY-VQTJNVASSA-N 2 1 348.531 3.006 20 0 EGADMP CC(C)(CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453119219 310259222 /nfs/dbraw/zinc/25/92/22/310259222.db2.gz MBINUWVITYWPCC-XUVXKRRUSA-N 2 1 330.516 3.428 20 0 EGADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cs1 ZINC000453194785 310263330 /nfs/dbraw/zinc/26/33/30/310263330.db2.gz ICACOMVRXUGNSY-KXBFYZLASA-N 2 1 330.497 3.474 20 0 EGADMP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000453213917 310264325 /nfs/dbraw/zinc/26/43/25/310264325.db2.gz MSAAUFPGFNDHEO-FXAWDEMLSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000453213917 310264326 /nfs/dbraw/zinc/26/43/26/310264326.db2.gz MSAAUFPGFNDHEO-FXAWDEMLSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453274656 310268693 /nfs/dbraw/zinc/26/86/93/310268693.db2.gz KQYAQTVZQNFHRD-CWJKEVGVSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000453295483 310269707 /nfs/dbraw/zinc/26/97/07/310269707.db2.gz YGTUFSQLARWVSG-KCXAZCMYSA-N 2 1 330.394 3.201 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000453295483 310269708 /nfs/dbraw/zinc/26/97/08/310269708.db2.gz YGTUFSQLARWVSG-KCXAZCMYSA-N 2 1 330.394 3.201 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ncc(Br)s1 ZINC000453403819 310275163 /nfs/dbraw/zinc/27/51/63/310275163.db2.gz OZFIOFVUQWECKV-JTQLQIEISA-N 2 1 332.311 3.431 20 0 EGADMP Cc1cc(Br)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000453588849 310283170 /nfs/dbraw/zinc/28/31/70/310283170.db2.gz WBCACLGIDLVQLI-NSHDSACASA-N 2 1 329.307 3.393 20 0 EGADMP Cc1cc(Br)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000453588849 310283171 /nfs/dbraw/zinc/28/31/71/310283171.db2.gz WBCACLGIDLVQLI-NSHDSACASA-N 2 1 329.307 3.393 20 0 EGADMP Cc1cnc(CC[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)cn1 ZINC000453590088 310283228 /nfs/dbraw/zinc/28/32/28/310283228.db2.gz AJSYOILXCJBSCR-UHFFFAOYSA-N 2 1 326.488 3.075 20 0 EGADMP CC(C)c1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000484781871 310970265 /nfs/dbraw/zinc/97/02/65/310970265.db2.gz YKBFRFHVTWKVFC-PWRODBHTSA-N 2 1 330.516 3.489 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]C[C@@H]2CCSC2)C[C@H](C)O1 ZINC000486974981 311005250 /nfs/dbraw/zinc/00/52/50/311005250.db2.gz XMDVFVWLLUGCJY-BBWFWOEESA-N 2 1 334.529 3.139 20 0 EGADMP COCCSCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000487919370 311042811 /nfs/dbraw/zinc/04/28/11/311042811.db2.gz PRFUMAPPWQBKDE-QZTJIDSGSA-N 2 1 328.566 3.343 20 0 EGADMP COCCSCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000487919370 311042812 /nfs/dbraw/zinc/04/28/12/311042812.db2.gz PRFUMAPPWQBKDE-QZTJIDSGSA-N 2 1 328.566 3.343 20 0 EGADMP COCCSCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000487919370 311042813 /nfs/dbraw/zinc/04/28/13/311042813.db2.gz PRFUMAPPWQBKDE-QZTJIDSGSA-N 2 1 328.566 3.343 20 0 EGADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)CS1 ZINC000488419267 311064900 /nfs/dbraw/zinc/06/49/00/311064900.db2.gz ZXUMXUALIJLDMF-PMACEKPBSA-N 2 1 347.572 3.054 20 0 EGADMP C[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C)C[NH+](C)C ZINC000491588901 311186033 /nfs/dbraw/zinc/18/60/33/311186033.db2.gz MNEJAYPGJIDXOX-MRXNPFEDSA-N 2 1 328.504 3.457 20 0 EGADMP CC(C)[C@H]1C[N@@H+](CCCN2CCN(c3ccccc3)CC2)CCS1 ZINC000509685606 312123359 /nfs/dbraw/zinc/12/33/59/312123359.db2.gz CUAKSURSOGXJFP-HXUWFJFHSA-N 2 1 347.572 3.272 20 0 EGADMP C[C@H]([NH2+][C@H](CO)CC1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511029750 312153263 /nfs/dbraw/zinc/15/32/63/312153263.db2.gz MKHZSPPBXLGSRP-WMQCIHAUSA-N 2 1 330.516 3.428 20 0 EGADMP CCCOc1ccc(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000512562651 312189676 /nfs/dbraw/zinc/18/96/76/312189676.db2.gz ZOZNREJYUFMBPQ-JWTNVVGKSA-N 2 1 332.488 3.411 20 0 EGADMP CCCOc1ccc(OCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000512562651 312189677 /nfs/dbraw/zinc/18/96/77/312189677.db2.gz ZOZNREJYUFMBPQ-JWTNVVGKSA-N 2 1 332.488 3.411 20 0 EGADMP CCCOc1ccc(OCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000512562651 312189679 /nfs/dbraw/zinc/18/96/79/312189679.db2.gz ZOZNREJYUFMBPQ-JWTNVVGKSA-N 2 1 332.488 3.411 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCOCC4CC4)[C@H]3C2)cc1 ZINC000512643733 312191204 /nfs/dbraw/zinc/19/12/04/312191204.db2.gz XYZYBEKFMRNBRD-PCCBWWKXSA-N 2 1 328.500 3.303 20 0 EGADMP CC[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513673733 312215237 /nfs/dbraw/zinc/21/52/37/312215237.db2.gz WLMYJJPPBSHBTI-IVAOSVALSA-N 2 1 330.516 3.428 20 0 EGADMP c1cnn(CC[NH2+][C@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000513677876 312215307 /nfs/dbraw/zinc/21/53/07/312215307.db2.gz DHEWRGHYAUEBGP-HBMCJLEFSA-N 2 1 338.499 3.164 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC34CC5CC(CC(C5)C3)C4)C2)CC1 ZINC000514711139 312240363 /nfs/dbraw/zinc/24/03/63/312240363.db2.gz KOQGEDDIIMNHEU-DLBGWFIVSA-N 2 1 345.575 3.303 20 0 EGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(-c4cccs4)on3)CC2)C1 ZINC000516556902 312329171 /nfs/dbraw/zinc/32/91/71/312329171.db2.gz WRGGFXOUSGZNCG-HOCLYGCPSA-N 2 1 347.484 3.121 20 0 EGADMP Cc1ccc(-n2cnc3c2CC[N@@H+](CCc2ccncc2C)C3)cc1 ZINC000516924547 312351059 /nfs/dbraw/zinc/35/10/59/312351059.db2.gz OZBXURYUQBOOIH-UHFFFAOYSA-N 2 1 332.451 3.485 20 0 EGADMP Cc1ccc(-n2cnc3c2CCN(CCc2ccncc2C)C3)cc1 ZINC000516924547 312351062 /nfs/dbraw/zinc/35/10/62/312351062.db2.gz OZBXURYUQBOOIH-UHFFFAOYSA-N 2 1 332.451 3.485 20 0 EGADMP CC[C@H]1CCC[C@H](C[NH+]2CCC([NH+](CCOC)CCOC)CC2)C1 ZINC000517057876 312361538 /nfs/dbraw/zinc/36/15/38/312361538.db2.gz XMILXIRDORNJGE-OALUTQOASA-N 2 1 340.552 3.262 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)CCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000517444935 312379383 /nfs/dbraw/zinc/37/93/83/312379383.db2.gz DRNILKWSHMLLOE-UYAOXDASSA-N 2 1 345.531 3.230 20 0 EGADMP Cc1nc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)[nH]c1C ZINC000529641636 313376527 /nfs/dbraw/zinc/37/65/27/313376527.db2.gz OGLLAWCYANVDJF-LJQANCHMSA-N 2 1 326.488 3.369 20 0 EGADMP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C1CC[NH+](C)CC1 ZINC000531690021 313701617 /nfs/dbraw/zinc/70/16/17/313701617.db2.gz MPKCCIKWJFFBQQ-LBPRGKRZSA-N 2 1 343.393 3.106 20 0 EGADMP COCCOc1cccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000535082012 314025096 /nfs/dbraw/zinc/02/50/96/314025096.db2.gz MVOAYHHRVREQIS-UHFFFAOYSA-N 2 1 334.504 3.264 20 0 EGADMP Cc1ccc(F)cc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000539795895 314338632 /nfs/dbraw/zinc/33/86/32/314338632.db2.gz NUSNKSJHLADTNT-GOSISDBHSA-N 2 1 347.503 3.274 20 0 EGADMP CO[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000543074843 314601756 /nfs/dbraw/zinc/60/17/56/314601756.db2.gz YRZLFGHWLAOKQV-XLIONFOSSA-N 2 1 334.479 3.237 20 0 EGADMP Cc1ccc([C@H](CNc2cc[nH+]cc2Br)[NH+](C)C)cc1 ZINC000548480205 315014895 /nfs/dbraw/zinc/01/48/95/315014895.db2.gz YZAZGSQUEUFCEA-INIZCTEOSA-N 2 1 334.261 3.289 20 0 EGADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)ccn1 ZINC000550886331 315137247 /nfs/dbraw/zinc/13/72/47/315137247.db2.gz OLJJKXCNZHSSHL-IEBWSBKVSA-N 2 1 339.483 3.305 20 0 EGADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)ccn1 ZINC000550886331 315137249 /nfs/dbraw/zinc/13/72/49/315137249.db2.gz OLJJKXCNZHSSHL-IEBWSBKVSA-N 2 1 339.483 3.305 20 0 EGADMP CC(C)[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552046590 315193298 /nfs/dbraw/zinc/19/32/98/315193298.db2.gz LSCQLAXDPHLJCV-XRXFAXGQSA-N 2 1 330.516 3.284 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2sc(CCOC)nc2C)CC1 ZINC000092720712 454617046 /nfs/dbraw/zinc/61/70/46/454617046.db2.gz NTYRKEIIFXFCEG-ZDUSSCGKSA-N 2 1 325.522 3.165 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)Cc2ccccc2)cc1F ZINC000560321601 315673793 /nfs/dbraw/zinc/67/37/93/315673793.db2.gz PDDNTRDBTSRCKE-GOSISDBHSA-N 2 1 339.414 3.013 20 0 EGADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000563379761 316011273 /nfs/dbraw/zinc/01/12/73/316011273.db2.gz XLJXKCKLSLKYHD-UHFFFAOYSA-N 2 1 329.488 3.261 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000563693675 316057692 /nfs/dbraw/zinc/05/76/92/316057692.db2.gz PCJWSZWEHYSRHU-MSOLQXFVSA-N 2 1 331.504 3.485 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCc2ccc(-c3ccccc3)cc21)C1CC1 ZINC000564873719 316224495 /nfs/dbraw/zinc/22/44/95/316224495.db2.gz RHZDOBUIZVGOCH-IFMALSPDSA-N 2 1 336.479 3.386 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCc2ccc(-c3ccccc3)cc21)C1CC1 ZINC000564873719 316224497 /nfs/dbraw/zinc/22/44/97/316224497.db2.gz RHZDOBUIZVGOCH-IFMALSPDSA-N 2 1 336.479 3.386 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccccc2)[C@@H]1c1cccs1 ZINC000565594129 316344279 /nfs/dbraw/zinc/34/42/79/316344279.db2.gz JJCLKEANPLHGKM-WSTZPKSXSA-N 2 1 344.524 3.324 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccccc2)[C@@H]1c1cccs1 ZINC000565594129 316344281 /nfs/dbraw/zinc/34/42/81/316344281.db2.gz JJCLKEANPLHGKM-WSTZPKSXSA-N 2 1 344.524 3.324 20 0 EGADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000571035660 317142289 /nfs/dbraw/zinc/14/22/89/317142289.db2.gz PHBGFBISUBYGKC-HNNXBMFYSA-N 2 1 343.475 3.187 20 0 EGADMP C(CC[N@H+]1CCSC[C@@H]1C1CC1)C[NH+]1CCSC[C@H]1C1CC1 ZINC000571137004 317154911 /nfs/dbraw/zinc/15/49/11/317154911.db2.gz KXJSAKRNVMMNDH-HDICACEKSA-N 2 1 340.602 3.421 20 0 EGADMP C(CC[N@@H+]1CCSC[C@H]1C1CC1)C[NH+]1CCSC[C@@H]1C1CC1 ZINC000571137004 317154913 /nfs/dbraw/zinc/15/49/13/317154913.db2.gz KXJSAKRNVMMNDH-HDICACEKSA-N 2 1 340.602 3.421 20 0 EGADMP C(CC[N@H+]1CCSC[C@H]1C1CC1)C[NH+]1CCSC[C@@H]1C1CC1 ZINC000571137004 317154916 /nfs/dbraw/zinc/15/49/16/317154916.db2.gz KXJSAKRNVMMNDH-HDICACEKSA-N 2 1 340.602 3.421 20 0 EGADMP Fc1cc(Br)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000128119786 455027180 /nfs/dbraw/zinc/02/71/80/455027180.db2.gz RPHOUFZAMJVDHD-HUUCEWRRSA-N 2 1 327.241 3.305 20 0 EGADMP Fc1cc(Br)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000128119786 455027185 /nfs/dbraw/zinc/02/71/85/455027185.db2.gz RPHOUFZAMJVDHD-HUUCEWRRSA-N 2 1 327.241 3.305 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352835443 456349099 /nfs/dbraw/zinc/34/90/99/456349099.db2.gz OZEXSQJHEGCFLC-UHFFFAOYSA-N 2 1 349.466 3.130 20 0 EGADMP CC(C)c1ccc(C[N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000172242650 323274056 /nfs/dbraw/zinc/27/40/56/323274056.db2.gz YONUBJGAXRAVBP-UHFFFAOYSA-N 2 1 345.531 3.231 20 0 EGADMP CC(C)c1ccc(C[N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000172242650 323274061 /nfs/dbraw/zinc/27/40/61/323274061.db2.gz YONUBJGAXRAVBP-UHFFFAOYSA-N 2 1 345.531 3.231 20 0 EGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000177612199 323342430 /nfs/dbraw/zinc/34/24/30/323342430.db2.gz CVFFFRCHEGJYBE-IBGZPJMESA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(F)c(Cl)c2)C[C@H](C)O1 ZINC000179075467 323367742 /nfs/dbraw/zinc/36/77/42/323367742.db2.gz ZSTZVOHCCLEPRT-OKILXGFUSA-N 2 1 328.859 3.458 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179764019 323404536 /nfs/dbraw/zinc/40/45/36/323404536.db2.gz AVUVNIBHTNJNAO-HXUWFJFHSA-N 2 1 341.455 3.484 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000578997647 325048064 /nfs/dbraw/zinc/04/80/64/325048064.db2.gz JATUUIILXAMBOJ-OAHLLOKOSA-N 2 1 337.895 3.236 20 0 EGADMP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000579335087 325096308 /nfs/dbraw/zinc/09/63/08/325096308.db2.gz HMNIBTNWRXFXJM-IRXDYDNUSA-N 2 1 335.879 3.275 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000579335087 325096311 /nfs/dbraw/zinc/09/63/11/325096311.db2.gz HMNIBTNWRXFXJM-IRXDYDNUSA-N 2 1 335.879 3.275 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CCCOCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000579865928 325170034 /nfs/dbraw/zinc/17/00/34/325170034.db2.gz CJXDFWSOPBKQCS-JKSUJKDBSA-N 2 1 330.394 3.381 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CCCOCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000579865928 325170037 /nfs/dbraw/zinc/17/00/37/325170037.db2.gz CJXDFWSOPBKQCS-JKSUJKDBSA-N 2 1 330.394 3.381 20 0 EGADMP CCC[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C1CCC1 ZINC000580094042 325203245 /nfs/dbraw/zinc/20/32/45/325203245.db2.gz LXIIGPSMDWJIAO-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1nnsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000581827648 325391912 /nfs/dbraw/zinc/39/19/12/325391912.db2.gz YPHWMHQBKBPTJA-UHFFFAOYSA-N 2 1 342.512 3.335 20 0 EGADMP Cc1ccc2cc[nH+]c(NC3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000583690055 325544154 /nfs/dbraw/zinc/54/41/54/325544154.db2.gz BEBSYPAKQIWMBT-MRXNPFEDSA-N 2 1 325.456 3.456 20 0 EGADMP CC[NH+](CC)[C@H](CNc1cc[nH+]cc1Br)c1ccco1 ZINC000341928226 457006262 /nfs/dbraw/zinc/00/62/62/457006262.db2.gz KAUFDSJZRXKLTP-CQSZACIVSA-N 2 1 338.249 3.354 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC[N@H+]1C ZINC000180677122 455225650 /nfs/dbraw/zinc/22/56/50/455225650.db2.gz VHWDESUEYUTBFL-JKSUJKDBSA-N 2 1 336.907 3.461 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(O)c1Br ZINC000459392941 458357312 /nfs/dbraw/zinc/35/73/12/458357312.db2.gz RRSLUFICENNADZ-NSHDSACASA-N 2 1 338.249 3.086 20 0 EGADMP COc1c(Br)cccc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000569273168 459424687 /nfs/dbraw/zinc/42/46/87/459424687.db2.gz RZEDUDJEBBLCAS-ZDUSSCGKSA-N 2 1 341.293 3.278 20 0 EGADMP COc1c(Br)cccc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000569273168 459424699 /nfs/dbraw/zinc/42/46/99/459424699.db2.gz RZEDUDJEBBLCAS-ZDUSSCGKSA-N 2 1 341.293 3.278 20 0 EGADMP COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])co2)c1 ZINC000631829247 460576338 /nfs/dbraw/zinc/57/63/38/460576338.db2.gz LNQUZDVUXVQMKL-KDOFPFPSSA-N 2 1 329.444 3.300 20 0 EGADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])co2)c1 ZINC000631829247 460576340 /nfs/dbraw/zinc/57/63/40/460576340.db2.gz LNQUZDVUXVQMKL-KDOFPFPSSA-N 2 1 329.444 3.300 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[NH+](C)C3CCC3)cc2)C1 ZINC000075841016 453930257 /nfs/dbraw/zinc/93/02/57/453930257.db2.gz ZGRMKWGVEYVXGK-KRWDZBQOSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)C[N@H+](C)C3CCC3)cc2)C1 ZINC000075841016 453930262 /nfs/dbraw/zinc/93/02/62/453930262.db2.gz ZGRMKWGVEYVXGK-KRWDZBQOSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)C[N@@H+](C)C3CCC3)cc2)C1 ZINC000075841016 453930268 /nfs/dbraw/zinc/93/02/68/453930268.db2.gz ZGRMKWGVEYVXGK-KRWDZBQOSA-N 2 1 343.515 3.019 20 0 EGADMP CCC[N@@H+](CCOc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000037539234 453937792 /nfs/dbraw/zinc/93/77/92/453937792.db2.gz UALCFGJJPDJUAI-UHFFFAOYSA-N 2 1 341.293 3.292 20 0 EGADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2)nc1 ZINC000067919861 453980913 /nfs/dbraw/zinc/98/09/13/453980913.db2.gz MVAIKDBLJWPFGL-OAQYLSRUSA-N 2 1 337.467 3.236 20 0 EGADMP c1ccc(COc2cccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2)nc1 ZINC000067919861 453980917 /nfs/dbraw/zinc/98/09/17/453980917.db2.gz MVAIKDBLJWPFGL-OAQYLSRUSA-N 2 1 337.467 3.236 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(C)c1 ZINC000076329439 453989337 /nfs/dbraw/zinc/98/93/37/453989337.db2.gz WDYUZYKZHZSJDB-IBGZPJMESA-N 2 1 346.519 3.183 20 0 EGADMP Cc1cc(C)n(CC[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000068822653 454057557 /nfs/dbraw/zinc/05/75/57/454057557.db2.gz LYWKRZZQRVPTEJ-UHFFFAOYSA-N 2 1 340.515 3.344 20 0 EGADMP C[NH+](C)CCC1CC[NH+](Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000056524192 454064256 /nfs/dbraw/zinc/06/42/56/454064256.db2.gz SYRJFTOEMAQPDP-UHFFFAOYSA-N 2 1 332.423 3.039 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Br)ccc1F ZINC000069754118 454140871 /nfs/dbraw/zinc/14/08/71/454140871.db2.gz ATRBWJCXSMCRLW-UHFFFAOYSA-N 2 1 326.213 3.273 20 0 EGADMP c1ccc2c(c1)CC[C@H]([NH2+]CC1([NH+]3CCCCC3)CCOCC1)C2 ZINC000089594714 454165188 /nfs/dbraw/zinc/16/51/88/454165188.db2.gz LHHGUMNSHHWLKQ-FQEVSTJZSA-N 2 1 328.500 3.169 20 0 EGADMP c1ccc2c(c1)CC[C@@H]([NH2+]CC1([NH+]3CCCCC3)CCOCC1)C2 ZINC000089594716 454165361 /nfs/dbraw/zinc/16/53/61/454165361.db2.gz LHHGUMNSHHWLKQ-HXUWFJFHSA-N 2 1 328.500 3.169 20 0 EGADMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000058166883 454167273 /nfs/dbraw/zinc/16/72/73/454167273.db2.gz DQMCCNCCMZJNDY-UHFFFAOYSA-N 2 1 337.467 3.399 20 0 EGADMP CC1(C)CC([NH2+]Cc2ccc(Br)cn2)CC(C)(C)[NH2+]1 ZINC000070395688 454168745 /nfs/dbraw/zinc/16/87/45/454168745.db2.gz NBKNIQPSHATNOX-UHFFFAOYSA-N 2 1 326.282 3.243 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000130721198 454214109 /nfs/dbraw/zinc/21/41/09/454214109.db2.gz WVTUTAJPTSFDIT-DLBZAZTESA-N 2 1 342.487 3.088 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000130721198 454214114 /nfs/dbraw/zinc/21/41/14/454214114.db2.gz WVTUTAJPTSFDIT-DLBZAZTESA-N 2 1 342.487 3.088 20 0 EGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC3CCCCCC3)CC2)CC1 ZINC000119990877 454245069 /nfs/dbraw/zinc/24/50/69/454245069.db2.gz FRYQYIDUTDGVEF-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(Cl)cccc1Cl ZINC000090079079 454274837 /nfs/dbraw/zinc/27/48/37/454274837.db2.gz UAXQYFFAFXYYBN-LALPHHSUSA-N 2 1 329.271 3.243 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1c(Cl)cccc1Cl ZINC000090079079 454274841 /nfs/dbraw/zinc/27/48/41/454274841.db2.gz UAXQYFFAFXYYBN-LALPHHSUSA-N 2 1 329.271 3.243 20 0 EGADMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(F)ccc1F ZINC000090937258 454352807 /nfs/dbraw/zinc/35/28/07/454352807.db2.gz RUUWVNSBLHWHES-ZDUSSCGKSA-N 2 1 335.398 3.151 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000062426963 454376818 /nfs/dbraw/zinc/37/68/18/454376818.db2.gz HVJNRCWRVAUYRQ-FQEVSTJZSA-N 2 1 339.483 3.481 20 0 EGADMP Cc1csc(N2CCC([NH2+]C[C@@H](C(C)C)[NH+]3CCCC3)CC2)n1 ZINC000132971784 454381737 /nfs/dbraw/zinc/38/17/37/454381737.db2.gz PBTAHNMIZUUYNL-KRWDZBQOSA-N 2 1 336.549 3.130 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000121445239 454436404 /nfs/dbraw/zinc/43/64/04/454436404.db2.gz WOLANWJGZATAQM-IAGOWNOFSA-N 3 1 344.503 3.119 20 0 EGADMP c1cnn(-c2cccc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c2)c1 ZINC000092066184 454512651 /nfs/dbraw/zinc/51/26/51/454512651.db2.gz LXQDOXXOFSXPBX-WIYYLYMNSA-N 2 1 336.483 3.321 20 0 EGADMP c1cnn(-c2cccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2)c1 ZINC000092066184 454512656 /nfs/dbraw/zinc/51/26/56/454512656.db2.gz LXQDOXXOFSXPBX-WIYYLYMNSA-N 2 1 336.483 3.321 20 0 EGADMP c1cnn(-c2cccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2)c1 ZINC000092066184 454512661 /nfs/dbraw/zinc/51/26/61/454512661.db2.gz LXQDOXXOFSXPBX-WIYYLYMNSA-N 2 1 336.483 3.321 20 0 EGADMP COCCOc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092066280 454513226 /nfs/dbraw/zinc/51/32/26/454513226.db2.gz ZQEPRWLBBGKUJU-NQIIRXRSSA-N 2 1 344.499 3.161 20 0 EGADMP COCCOc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000092066280 454513229 /nfs/dbraw/zinc/51/32/29/454513229.db2.gz ZQEPRWLBBGKUJU-NQIIRXRSSA-N 2 1 344.499 3.161 20 0 EGADMP COCCOc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000092066280 454513233 /nfs/dbraw/zinc/51/32/33/454513233.db2.gz ZQEPRWLBBGKUJU-NQIIRXRSSA-N 2 1 344.499 3.161 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000074220649 454546368 /nfs/dbraw/zinc/54/63/68/454546368.db2.gz KMCMMJHVAHBIMR-UHFFFAOYSA-N 2 1 334.508 3.025 20 0 EGADMP CCc1ccccc1NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134931235 454611029 /nfs/dbraw/zinc/61/10/29/454611029.db2.gz IKJWDMWFYVWEDP-XLIONFOSSA-N 2 1 341.499 3.136 20 0 EGADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000123355991 454628661 /nfs/dbraw/zinc/62/86/61/454628661.db2.gz IIMUNPJYTMRKKL-UHFFFAOYSA-N 2 1 337.895 3.332 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000052210418 454661519 /nfs/dbraw/zinc/66/15/19/454661519.db2.gz BNPBUKLIVYHGFA-GOSISDBHSA-N 2 1 349.906 3.077 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000052210418 454661522 /nfs/dbraw/zinc/66/15/22/454661522.db2.gz BNPBUKLIVYHGFA-GOSISDBHSA-N 2 1 349.906 3.077 20 0 EGADMP OCC[NH2+]C1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000635001622 460646742 /nfs/dbraw/zinc/64/67/42/460646742.db2.gz WOVCOZDDQOUSGO-UHFFFAOYSA-N 2 1 334.460 3.101 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C2CCC3(CC2)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000161797584 454724645 /nfs/dbraw/zinc/72/46/45/454724645.db2.gz GJFWSQFIMUKKSA-YLJYHZDGSA-N 2 1 344.499 3.315 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C2CCC3(CC2)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000161797584 454724651 /nfs/dbraw/zinc/72/46/51/454724651.db2.gz GJFWSQFIMUKKSA-YLJYHZDGSA-N 2 1 344.499 3.315 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161973961 454742210 /nfs/dbraw/zinc/74/22/10/454742210.db2.gz UTPZUAAACOTXMZ-IRXDYDNUSA-N 2 1 339.524 3.240 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161973961 454742215 /nfs/dbraw/zinc/74/22/15/454742215.db2.gz UTPZUAAACOTXMZ-IRXDYDNUSA-N 2 1 339.524 3.240 20 0 EGADMP CCCC[C@@H](COC)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000162759139 454799001 /nfs/dbraw/zinc/79/90/01/454799001.db2.gz NUZXTGDQUTWWEL-SFHVURJKSA-N 2 1 337.508 3.298 20 0 EGADMP CCc1nn(C)c(CC)c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000163050466 454819091 /nfs/dbraw/zinc/81/90/91/454819091.db2.gz RXQFALMFUSJROH-UHFFFAOYSA-N 2 1 332.536 3.432 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000153750843 454828613 /nfs/dbraw/zinc/82/86/13/454828613.db2.gz DDNFGTQSYPPASD-KSSFIOAISA-N 2 1 329.419 3.443 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000153750843 454828620 /nfs/dbraw/zinc/82/86/20/454828620.db2.gz DDNFGTQSYPPASD-KSSFIOAISA-N 2 1 329.419 3.443 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000111039394 454856103 /nfs/dbraw/zinc/85/61/03/454856103.db2.gz OVBFYFZYVYJTFM-LJQANCHMSA-N 2 1 331.504 3.062 20 0 EGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000182241058 455469482 /nfs/dbraw/zinc/46/94/82/455469482.db2.gz XYYMWVKEFTZBSU-IFMALSPDSA-N 2 1 336.479 3.420 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000164652887 454887644 /nfs/dbraw/zinc/88/76/44/454887644.db2.gz ASUDRBHCNGVWFT-INIZCTEOSA-N 2 1 340.471 3.449 20 0 EGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C(C)(C)O1 ZINC000165335768 454899322 /nfs/dbraw/zinc/89/93/22/454899322.db2.gz UPLFMLRPPVKDSB-RTBURBONSA-N 2 1 330.516 3.487 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCOCC(F)(F)F)C2)CC1 ZINC000154707381 454921376 /nfs/dbraw/zinc/92/13/76/454921376.db2.gz FDQZJIKWSVRGPK-MRXNPFEDSA-N 2 1 336.442 3.399 20 0 EGADMP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126903167 454925750 /nfs/dbraw/zinc/92/57/50/454925750.db2.gz ZGWHMDRKWCLOIG-MAUKXSAKSA-N 2 1 344.528 3.361 20 0 EGADMP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126903167 454925754 /nfs/dbraw/zinc/92/57/54/454925754.db2.gz ZGWHMDRKWCLOIG-MAUKXSAKSA-N 2 1 344.528 3.361 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000154883225 454939760 /nfs/dbraw/zinc/93/97/60/454939760.db2.gz QBSQAZFXYIUAPW-LJQANCHMSA-N 2 1 326.488 3.428 20 0 EGADMP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000155023844 454954517 /nfs/dbraw/zinc/95/45/17/454954517.db2.gz BOPHPUUDQAWIRA-BEFAXECRSA-N 2 1 338.442 3.460 20 0 EGADMP CC[C@@H](c1ccc(F)cc1F)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000155023844 454954522 /nfs/dbraw/zinc/95/45/22/454954522.db2.gz BOPHPUUDQAWIRA-BEFAXECRSA-N 2 1 338.442 3.460 20 0 EGADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178803747 454979406 /nfs/dbraw/zinc/97/94/06/454979406.db2.gz RDJIECCJJWODKD-XMMPIXPASA-N 2 1 339.464 3.242 20 0 EGADMP CN(Cc1ccc(-n2ccnc2)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178803747 454979408 /nfs/dbraw/zinc/97/94/08/454979408.db2.gz RDJIECCJJWODKD-XMMPIXPASA-N 2 1 339.464 3.242 20 0 EGADMP Fc1cc(Br)cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000128119786 455027178 /nfs/dbraw/zinc/02/71/78/455027178.db2.gz RPHOUFZAMJVDHD-HUUCEWRRSA-N 2 1 327.241 3.305 20 0 EGADMP CC[C@H](NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000151801920 455032613 /nfs/dbraw/zinc/03/26/13/455032613.db2.gz ZNYOPLONPFBLSU-SFTDATJTSA-N 2 1 342.458 3.286 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)C[C@@H]3C)cc2)C1 ZINC000155769491 455043310 /nfs/dbraw/zinc/04/33/10/455043310.db2.gz LNFMVWJHUIZZCI-BBTUJRGHSA-N 3 1 329.532 3.348 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)C1 ZINC000155769491 455043311 /nfs/dbraw/zinc/04/33/11/455043311.db2.gz LNFMVWJHUIZZCI-BBTUJRGHSA-N 3 1 329.532 3.348 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)C1 ZINC000155769491 455043314 /nfs/dbraw/zinc/04/33/14/455043314.db2.gz LNFMVWJHUIZZCI-BBTUJRGHSA-N 3 1 329.532 3.348 20 0 EGADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)C[C@@H]3C)cc2)C1 ZINC000155769491 455043316 /nfs/dbraw/zinc/04/33/16/455043316.db2.gz LNFMVWJHUIZZCI-BBTUJRGHSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)C[C@@H]3C)cc2)C1 ZINC000155769491 455043318 /nfs/dbraw/zinc/04/33/18/455043318.db2.gz LNFMVWJHUIZZCI-BBTUJRGHSA-N 2 1 329.532 3.348 20 0 EGADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000151972366 455056418 /nfs/dbraw/zinc/05/64/18/455056418.db2.gz VBHVMQJFTJJFST-VQTJNVASSA-N 2 1 339.483 3.229 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2cccc(C[NH+](C)C)c2)c1 ZINC000155915210 455061142 /nfs/dbraw/zinc/06/11/42/455061142.db2.gz CUHYUZCKVFAFFY-UHFFFAOYSA-N 2 1 339.483 3.130 20 0 EGADMP Cc1noc(C)c1CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000155997080 455070981 /nfs/dbraw/zinc/07/09/81/455070981.db2.gz PYKIJZKWZXHMCH-UHFFFAOYSA-N 2 1 345.462 3.270 20 0 EGADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)s1 ZINC000128617801 455072543 /nfs/dbraw/zinc/07/25/43/455072543.db2.gz FRNZQFLSNDPTCF-AWEZNQCLSA-N 2 1 329.941 3.470 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179764032 455076125 /nfs/dbraw/zinc/07/61/25/455076125.db2.gz AVUVNIBHTNJNAO-FQEVSTJZSA-N 2 1 341.455 3.484 20 0 EGADMP C[N@H+](Cc1ccc(OCc2ccncc2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000152341805 455104285 /nfs/dbraw/zinc/10/42/85/455104285.db2.gz VVJRQNSIXQMWQF-HXUWFJFHSA-N 2 1 339.483 3.434 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccnc(OCc2ccccc2)c1 ZINC000156324617 455104769 /nfs/dbraw/zinc/10/47/69/455104769.db2.gz ZDNWTHYFYFVRHB-MBOZVWFJSA-N 2 1 339.483 3.479 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000156324617 455104773 /nfs/dbraw/zinc/10/47/73/455104773.db2.gz ZDNWTHYFYFVRHB-MBOZVWFJSA-N 2 1 339.483 3.479 20 0 EGADMP C[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)C[C@H]1CCC[NH+](C)C1 ZINC000152338988 455105072 /nfs/dbraw/zinc/10/50/72/455105072.db2.gz KSHRUXOPTWLPSV-AWEZNQCLSA-N 2 1 348.878 3.206 20 0 EGADMP C[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)C[C@H]1CCC[NH+](C)C1 ZINC000152338988 455105077 /nfs/dbraw/zinc/10/50/77/455105077.db2.gz KSHRUXOPTWLPSV-AWEZNQCLSA-N 2 1 348.878 3.206 20 0 EGADMP C[NH+](CCc1nc(-c2cccc(Cl)c2)no1)C[C@H]1CCC[N@H+](C)C1 ZINC000152338988 455105081 /nfs/dbraw/zinc/10/50/81/455105081.db2.gz KSHRUXOPTWLPSV-AWEZNQCLSA-N 2 1 348.878 3.206 20 0 EGADMP C[NH+](CCc1nc(-c2cccc(Cl)c2)no1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152338988 455105085 /nfs/dbraw/zinc/10/50/85/455105085.db2.gz KSHRUXOPTWLPSV-AWEZNQCLSA-N 2 1 348.878 3.206 20 0 EGADMP CN(CCc1nc(-c2ccc(Cl)cc2)no1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152450202 455121173 /nfs/dbraw/zinc/12/11/73/455121173.db2.gz YZTHSQVLPKPMAX-AWEZNQCLSA-N 2 1 348.878 3.206 20 0 EGADMP C[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)C[C@H]1CCC[NH+](C)C1 ZINC000152450202 455121176 /nfs/dbraw/zinc/12/11/76/455121176.db2.gz YZTHSQVLPKPMAX-AWEZNQCLSA-N 2 1 348.878 3.206 20 0 EGADMP C[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)C[C@H]1CCC[NH+](C)C1 ZINC000152450202 455121178 /nfs/dbraw/zinc/12/11/78/455121178.db2.gz YZTHSQVLPKPMAX-AWEZNQCLSA-N 2 1 348.878 3.206 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)CC2CC[NH+](C)CC2)cc1 ZINC000264012886 455182258 /nfs/dbraw/zinc/18/22/58/455182258.db2.gz BYDCGHXGFYWZLX-UHFFFAOYSA-N 2 1 345.531 3.332 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000264018457 455184323 /nfs/dbraw/zinc/18/43/23/455184323.db2.gz IJCULJYCJGDWMQ-KRWDZBQOSA-N 2 1 331.504 3.105 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000180646084 455217216 /nfs/dbraw/zinc/21/72/16/455217216.db2.gz ZCMWHGPXSBRKMO-UNMCSNQZSA-N 2 1 336.479 3.420 20 0 EGADMP COc1cccc(C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@H]2CCCO2)c1 ZINC000245582697 455335422 /nfs/dbraw/zinc/33/54/22/455335422.db2.gz JESLPPHJKPHHKM-UYAOXDASSA-N 2 1 332.488 3.161 20 0 EGADMP COc1cccc(C[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@H]2CCCO2)c1 ZINC000245582697 455335423 /nfs/dbraw/zinc/33/54/23/455335423.db2.gz JESLPPHJKPHHKM-UYAOXDASSA-N 2 1 332.488 3.161 20 0 EGADMP COc1cccc(C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@H]2CCCO2)c1 ZINC000245582697 455335428 /nfs/dbraw/zinc/33/54/28/455335428.db2.gz JESLPPHJKPHHKM-UYAOXDASSA-N 2 1 332.488 3.161 20 0 EGADMP COc1cccc(C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@H]2CCCO2)c1 ZINC000245582697 455335430 /nfs/dbraw/zinc/33/54/30/455335430.db2.gz JESLPPHJKPHHKM-UYAOXDASSA-N 2 1 332.488 3.161 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cncc(Br)c2)C[C@H]1n1ccnc1 ZINC000245739318 455369292 /nfs/dbraw/zinc/36/92/92/455369292.db2.gz XBIFYUDECXIWTL-IUODEOHRSA-N 2 1 335.249 3.124 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cncc(Br)c2)C[C@H]1n1ccnc1 ZINC000245739318 455369296 /nfs/dbraw/zinc/36/92/96/455369296.db2.gz XBIFYUDECXIWTL-IUODEOHRSA-N 2 1 335.249 3.124 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000245996049 455412061 /nfs/dbraw/zinc/41/20/61/455412061.db2.gz IMMNANQXJYACEA-AQMVCYDESA-N 2 1 326.843 3.381 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000245996049 455412067 /nfs/dbraw/zinc/41/20/67/455412067.db2.gz IMMNANQXJYACEA-AQMVCYDESA-N 2 1 326.843 3.381 20 0 EGADMP CCC[C@@H](NC(=O)CN1CC[C@@H](C[N@@H+](C)CCC)C1)c1ccccc1 ZINC000246167925 455439477 /nfs/dbraw/zinc/43/94/77/455439477.db2.gz IVRXKROOHIWEJW-AZUAARDMSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000246328498 455472096 /nfs/dbraw/zinc/47/20/96/455472096.db2.gz KBRGWBJALUQWQW-QAPCUYQASA-N 2 1 349.906 3.109 20 0 EGADMP C[C@H](CSC(C)(C)C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182262020 455475720 /nfs/dbraw/zinc/47/57/20/455475720.db2.gz BCOXCTJOCGGHFI-QAPCUYQASA-N 2 1 336.545 3.263 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC000246387084 455480773 /nfs/dbraw/zinc/48/07/73/455480773.db2.gz ITNZTCMHOKCAFW-UYAOXDASSA-N 2 1 345.531 3.164 20 0 EGADMP CC[NH+](CC)CCC[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000191488801 455489741 /nfs/dbraw/zinc/48/97/41/455489741.db2.gz RAFWYNYPPACHPJ-UHFFFAOYSA-N 2 1 327.513 3.050 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000185205738 455520609 /nfs/dbraw/zinc/52/06/09/455520609.db2.gz LWXYOEAQPNDSKS-HNNXBMFYSA-N 2 1 340.254 3.278 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000247031506 455547632 /nfs/dbraw/zinc/54/76/32/455547632.db2.gz UXPDEJKZGPPKHG-ZACQAIPSSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000247031506 455547637 /nfs/dbraw/zinc/54/76/37/455547637.db2.gz UXPDEJKZGPPKHG-ZACQAIPSSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000247031506 455547642 /nfs/dbraw/zinc/54/76/42/455547642.db2.gz UXPDEJKZGPPKHG-ZACQAIPSSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000247031506 455547646 /nfs/dbraw/zinc/54/76/46/455547646.db2.gz UXPDEJKZGPPKHG-ZACQAIPSSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000247031456 455547759 /nfs/dbraw/zinc/54/77/59/455547759.db2.gz UXPDEJKZGPPKHG-BRWVUGGUSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000247031456 455547764 /nfs/dbraw/zinc/54/77/64/455547764.db2.gz UXPDEJKZGPPKHG-BRWVUGGUSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000247031456 455547769 /nfs/dbraw/zinc/54/77/69/455547769.db2.gz UXPDEJKZGPPKHG-BRWVUGGUSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000247031456 455547774 /nfs/dbraw/zinc/54/77/74/455547774.db2.gz UXPDEJKZGPPKHG-BRWVUGGUSA-N 2 1 339.524 3.048 20 0 EGADMP CCC(CC)(CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000601019985 460678135 /nfs/dbraw/zinc/67/81/35/460678135.db2.gz WRJCQRLZFKYXEM-QGZVFWFLSA-N 2 1 333.520 3.352 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000247204617 455572870 /nfs/dbraw/zinc/57/28/70/455572870.db2.gz WMWPRFNVQSDBDY-XJKSGUPXSA-N 2 1 330.394 3.448 20 0 EGADMP C[C@@H](NCC[N@@H+]1CCC[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000247205580 455572984 /nfs/dbraw/zinc/57/29/84/455572984.db2.gz WQZDRAABOKAION-ZWKOTPCHSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@@H](NCC[N@H+]1CCC[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000247205580 455572986 /nfs/dbraw/zinc/57/29/86/455572986.db2.gz WQZDRAABOKAION-ZWKOTPCHSA-N 2 1 333.520 3.010 20 0 EGADMP CC(=O)Nc1cccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185693408 455598872 /nfs/dbraw/zinc/59/88/72/455598872.db2.gz GCZPSMNQYXNVPT-QAPCUYQASA-N 2 1 329.488 3.388 20 0 EGADMP CC(=O)Nc1cccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185693408 455598876 /nfs/dbraw/zinc/59/88/76/455598876.db2.gz GCZPSMNQYXNVPT-QAPCUYQASA-N 2 1 329.488 3.388 20 0 EGADMP Cc1cccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000185707655 455601768 /nfs/dbraw/zinc/60/17/68/455601768.db2.gz HKFAQUYDFVRNQL-QZTJIDSGSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1cccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000185707655 455601769 /nfs/dbraw/zinc/60/17/69/455601769.db2.gz HKFAQUYDFVRNQL-QZTJIDSGSA-N 2 1 343.515 3.485 20 0 EGADMP C[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCCCCC1 ZINC000247466352 455604953 /nfs/dbraw/zinc/60/49/53/455604953.db2.gz RKHVQIZFDANHGM-VAMGGRTRSA-N 2 1 349.563 3.364 20 0 EGADMP COc1c(C)cnc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000185737662 455611110 /nfs/dbraw/zinc/61/11/10/455611110.db2.gz CMVDQKRJVLZYAE-SJORKVTESA-N 2 1 331.504 3.450 20 0 EGADMP COc1c(C)cnc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000185737662 455611113 /nfs/dbraw/zinc/61/11/13/455611113.db2.gz CMVDQKRJVLZYAE-SJORKVTESA-N 2 1 331.504 3.450 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nncn2-c2ccccc2)CC1 ZINC000277735100 455650066 /nfs/dbraw/zinc/65/00/66/455650066.db2.gz OJGAGVYDUSXJTD-UHFFFAOYSA-N 2 1 341.503 3.211 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nncn2-c2ccccc2)CC1 ZINC000277735100 455650068 /nfs/dbraw/zinc/65/00/68/455650068.db2.gz OJGAGVYDUSXJTD-UHFFFAOYSA-N 2 1 341.503 3.211 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000247890595 455651921 /nfs/dbraw/zinc/65/19/21/455651921.db2.gz FGLJMFGZZARGPQ-DZFGPLHGSA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(OC)c2)N2CCCC2)[C@@H](C)C1 ZINC000247890595 455651925 /nfs/dbraw/zinc/65/19/25/455651925.db2.gz FGLJMFGZZARGPQ-DZFGPLHGSA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(OC)c2)N2CCCC2)[C@@H](C)C1 ZINC000247890595 455651930 /nfs/dbraw/zinc/65/19/30/455651930.db2.gz FGLJMFGZZARGPQ-DZFGPLHGSA-N 2 1 345.531 3.152 20 0 EGADMP CC(C)[NH+](CCN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000247883389 455652661 /nfs/dbraw/zinc/65/26/61/455652661.db2.gz CFBNTYZHCZJEJR-AZUAARDMSA-N 2 1 332.536 3.000 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n(C)n1 ZINC000284218577 455653543 /nfs/dbraw/zinc/65/35/43/455653543.db2.gz HDLBQSKTDJZKTL-CEWLAPEOSA-N 2 1 338.499 3.119 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1cccc(OC)c1 ZINC000247892858 455654098 /nfs/dbraw/zinc/65/40/98/455654098.db2.gz FVRCKKKUKPTYRT-DZFGPLHGSA-N 2 1 347.547 3.398 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192621921 455655809 /nfs/dbraw/zinc/65/58/09/455655809.db2.gz PTRBHJXNHPIRDN-IHWFROFDSA-N 2 1 338.499 3.263 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192621921 455655814 /nfs/dbraw/zinc/65/58/14/455655814.db2.gz PTRBHJXNHPIRDN-IHWFROFDSA-N 2 1 338.499 3.263 20 0 EGADMP CCN(CC)C(=O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271487067 455656858 /nfs/dbraw/zinc/65/68/58/455656858.db2.gz OKOJQNZMZUNVEQ-UYAOXDASSA-N 2 1 345.531 3.278 20 0 EGADMP CCN(CC)C(=O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271487067 455656864 /nfs/dbraw/zinc/65/68/64/455656864.db2.gz OKOJQNZMZUNVEQ-UYAOXDASSA-N 2 1 345.531 3.278 20 0 EGADMP C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1ccccc1 ZINC000284245461 455657113 /nfs/dbraw/zinc/65/71/13/455657113.db2.gz FXDMGOBHTLAEAR-KRWDZBQOSA-N 2 1 348.450 3.071 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000284307334 455665440 /nfs/dbraw/zinc/66/54/40/455665440.db2.gz ZBYXXRJNPTZIJQ-INIZCTEOSA-N 2 1 329.492 3.032 20 0 EGADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000248006792 455669725 /nfs/dbraw/zinc/66/97/25/455669725.db2.gz KXBDFCBNXIZTEK-GQIGUUNPSA-N 2 1 334.479 3.276 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)[C@@H](C)C1 ZINC000248057511 455676517 /nfs/dbraw/zinc/67/65/17/455676517.db2.gz XRDHCVOYGQXEHP-HRAATJIYSA-N 2 1 340.515 3.368 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)[C@@H](C)C1 ZINC000248057511 455676522 /nfs/dbraw/zinc/67/65/22/455676522.db2.gz XRDHCVOYGQXEHP-HRAATJIYSA-N 2 1 340.515 3.368 20 0 EGADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000284400343 455680323 /nfs/dbraw/zinc/68/03/23/455680323.db2.gz PPUZOBCCQAKTEX-WTLGNFPFSA-N 2 1 325.456 3.236 20 0 EGADMP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC000268442943 455684269 /nfs/dbraw/zinc/68/42/69/455684269.db2.gz DECNYDRTCXQBHN-DFQSSKMNSA-N 2 1 345.531 3.084 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)ccc2o1 ZINC000248168108 455692107 /nfs/dbraw/zinc/69/21/07/455692107.db2.gz UEUOXEAMAQNYQZ-DOTOQJQBSA-N 2 1 342.439 3.136 20 0 EGADMP COC(=O)c1cc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)ccc2o1 ZINC000248168108 455692110 /nfs/dbraw/zinc/69/21/10/455692110.db2.gz UEUOXEAMAQNYQZ-DOTOQJQBSA-N 2 1 342.439 3.136 20 0 EGADMP COC(=O)c1cc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)ccc2o1 ZINC000248168108 455692115 /nfs/dbraw/zinc/69/21/15/455692115.db2.gz UEUOXEAMAQNYQZ-DOTOQJQBSA-N 2 1 342.439 3.136 20 0 EGADMP C[C@@H](c1cccs1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248396989 455712475 /nfs/dbraw/zinc/71/24/75/455712475.db2.gz KXHLHAXWMRGBLL-DOTOQJQBSA-N 2 1 345.512 3.160 20 0 EGADMP C[C@@H](c1cccs1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248396989 455712482 /nfs/dbraw/zinc/71/24/82/455712482.db2.gz KXHLHAXWMRGBLL-DOTOQJQBSA-N 2 1 345.512 3.160 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2COC3(CCCC3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000271663425 455716201 /nfs/dbraw/zinc/71/62/01/455716201.db2.gz HNNCVTVNCXULET-MISYRCLQSA-N 2 1 344.499 3.315 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2COC3(CCCC3)O2)CC[N@H+]1Cc1ccccc1 ZINC000271663425 455716208 /nfs/dbraw/zinc/71/62/08/455716208.db2.gz HNNCVTVNCXULET-MISYRCLQSA-N 2 1 344.499 3.315 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000268948914 455740707 /nfs/dbraw/zinc/74/07/07/455740707.db2.gz WZYYKEPSBDQWHA-AWEZNQCLSA-N 2 1 348.441 3.364 20 0 EGADMP CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000186448412 455771568 /nfs/dbraw/zinc/77/15/68/455771568.db2.gz PKZFQCRTKJIPGR-RHSMWYFYSA-N 2 1 342.443 3.062 20 0 EGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c(Cl)c1 ZINC000271817145 455772012 /nfs/dbraw/zinc/77/20/12/455772012.db2.gz BSBYXJLRVIGFBS-CQSZACIVSA-N 2 1 335.879 3.217 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000616991597 460689638 /nfs/dbraw/zinc/68/96/38/460689638.db2.gz BSGRQEFIMHSRIX-GOSISDBHSA-N 2 1 343.515 3.133 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000269143381 455797874 /nfs/dbraw/zinc/79/78/74/455797874.db2.gz DBVWNDMXGBRDHF-MRXNPFEDSA-N 2 1 331.504 3.118 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1)C(C)C ZINC000269226707 455816535 /nfs/dbraw/zinc/81/65/35/455816535.db2.gz UYLACEFOOVZOMK-LPHOPBHVSA-N 2 1 331.504 3.035 20 0 EGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)CCCCCC[NH3+])cc2)C1 ZINC000269244539 455820044 /nfs/dbraw/zinc/82/00/44/455820044.db2.gz DAMFGEMOBCHELQ-KRWDZBQOSA-N 2 1 347.503 3.255 20 0 EGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186850478 455842938 /nfs/dbraw/zinc/84/29/38/455842938.db2.gz PPMMCWHCPQIYPY-MSOLQXFVSA-N 2 1 330.472 3.390 20 0 EGADMP CC(C)n1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272245410 455890319 /nfs/dbraw/zinc/89/03/19/455890319.db2.gz XGEAZMAYPNRVGI-PXNSSMCTSA-N 2 1 326.488 3.464 20 0 EGADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272279960 455900673 /nfs/dbraw/zinc/90/06/73/455900673.db2.gz CWEYKJRBNRDVHR-OYNPSCLESA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H](N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272279960 455900677 /nfs/dbraw/zinc/90/06/77/455900677.db2.gz CWEYKJRBNRDVHR-OYNPSCLESA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H](N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272279960 455900681 /nfs/dbraw/zinc/90/06/81/455900681.db2.gz CWEYKJRBNRDVHR-OYNPSCLESA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272279960 455900685 /nfs/dbraw/zinc/90/06/85/455900685.db2.gz CWEYKJRBNRDVHR-OYNPSCLESA-N 3 1 327.516 3.113 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272279960 455900690 /nfs/dbraw/zinc/90/06/90/455900690.db2.gz CWEYKJRBNRDVHR-OYNPSCLESA-N 3 1 327.516 3.113 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272279960 455900696 /nfs/dbraw/zinc/90/06/96/455900696.db2.gz CWEYKJRBNRDVHR-OYNPSCLESA-N 3 1 327.516 3.113 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272279960 455900701 /nfs/dbraw/zinc/90/07/01/455900701.db2.gz CWEYKJRBNRDVHR-OYNPSCLESA-N 3 1 327.516 3.113 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000285769247 455912648 /nfs/dbraw/zinc/91/26/48/455912648.db2.gz SRODUHMTVLQJQY-HOTGVXAUSA-N 2 1 345.487 3.180 20 0 EGADMP Cc1ccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1Cl ZINC000261725323 455935704 /nfs/dbraw/zinc/93/57/04/455935704.db2.gz MGUDDJLLLPRTNM-QGZVFWFLSA-N 2 1 335.879 3.051 20 0 EGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)c2sccc2C[NH+](C)C)c1 ZINC000270356477 455936688 /nfs/dbraw/zinc/93/66/88/455936688.db2.gz FCODYPDGBNWNKC-UHFFFAOYSA-N 2 1 331.485 3.432 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)CO2 ZINC000296444839 455940284 /nfs/dbraw/zinc/94/02/84/455940284.db2.gz MWCCPMCVFSQAPS-JZXOWHBKSA-N 2 1 344.499 3.241 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OCC(F)(F)F ZINC000261769493 455944432 /nfs/dbraw/zinc/94/44/32/455944432.db2.gz SBHJUDLRTQEJBK-INIZCTEOSA-N 2 1 346.393 3.197 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OCC(F)(F)F ZINC000261769493 455944437 /nfs/dbraw/zinc/94/44/37/455944437.db2.gz SBHJUDLRTQEJBK-INIZCTEOSA-N 2 1 346.393 3.197 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261865804 455961453 /nfs/dbraw/zinc/96/14/53/455961453.db2.gz SPDORZKVKHZFHB-GCKMJXCFSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261865804 455961456 /nfs/dbraw/zinc/96/14/56/455961456.db2.gz SPDORZKVKHZFHB-GCKMJXCFSA-N 2 1 339.483 3.076 20 0 EGADMP c1ccc([C@@H]2C[N@H+](CCC[NH+]3CCCCC3)[C@@H]3CCOC[C@@H]23)cc1 ZINC000286059551 455970115 /nfs/dbraw/zinc/97/01/15/455970115.db2.gz RLGKVHBKURRKKB-PCCBWWKXSA-N 2 1 328.500 3.367 20 0 EGADMP C[C@H](CCCO)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000286066875 455971470 /nfs/dbraw/zinc/97/14/70/455971470.db2.gz LQCXKDLOPJVMTG-BVOGOJNSSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)[NH+]1CCN(C2CCN(c3ccnc4ccsc43)CC2)CC1 ZINC000270518371 455973748 /nfs/dbraw/zinc/97/37/48/455973748.db2.gz ZIVWGLXGHSHZCV-UHFFFAOYSA-N 2 1 344.528 3.291 20 0 EGADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000272511300 455976701 /nfs/dbraw/zinc/97/67/01/455976701.db2.gz GJHKSPZNIVITEO-QHAWAJNXSA-N 3 1 341.543 3.219 20 0 EGADMP COCc1cccc(OCC2(C[N@@H+](C)C3CC[NH2+]CC3)CCC2)c1 ZINC000262071845 455993685 /nfs/dbraw/zinc/99/36/85/455993685.db2.gz CKHYVFCOGMCCJG-UHFFFAOYSA-N 2 1 332.488 3.066 20 0 EGADMP COc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000272589303 456004890 /nfs/dbraw/zinc/00/48/90/456004890.db2.gz XAGVXBFGHXERQA-VQIMIIECSA-N 2 1 325.456 3.090 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)CCC2)c1 ZINC000262173107 456006757 /nfs/dbraw/zinc/00/67/57/456006757.db2.gz VKWCLSDSYHEVSD-SXLOBPIMSA-N 2 1 344.499 3.051 20 0 EGADMP OCCC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000272608841 456012340 /nfs/dbraw/zinc/01/23/40/456012340.db2.gz VSVRRUZENPWLBV-PWRODBHTSA-N 2 1 342.527 3.429 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2coc(C[NH3+])c2)c1 ZINC000188261632 456031355 /nfs/dbraw/zinc/03/13/55/456031355.db2.gz GENYFEFQHZYNPN-UHFFFAOYSA-N 2 1 343.471 3.290 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+]([C@H]3Cc4ccccc4[C@H]3O)C2)CC1 ZINC000270846344 456051506 /nfs/dbraw/zinc/05/15/06/456051506.db2.gz WUGWVDMZJSXMRD-DZFGPLHGSA-N 2 1 328.500 3.089 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000270842224 456051725 /nfs/dbraw/zinc/05/17/25/456051725.db2.gz VTUIYPCHGYGMOJ-OVQGTLEDSA-N 2 1 328.500 3.231 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000270842224 456051728 /nfs/dbraw/zinc/05/17/28/456051728.db2.gz VTUIYPCHGYGMOJ-OVQGTLEDSA-N 2 1 328.500 3.231 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000270842224 456051730 /nfs/dbraw/zinc/05/17/30/456051730.db2.gz VTUIYPCHGYGMOJ-OVQGTLEDSA-N 2 1 328.500 3.231 20 0 EGADMP C[C@H](Cc1ccccc1F)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000188445988 456065072 /nfs/dbraw/zinc/06/50/72/456065072.db2.gz AQAQGRGYBSRPFJ-UZLBHIALSA-N 2 1 342.458 3.113 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000272848213 456089639 /nfs/dbraw/zinc/08/96/39/456089639.db2.gz ZNGOZPFWCRSPKI-FQEVSTJZSA-N 2 1 335.451 3.024 20 0 EGADMP CC(C)n1nccc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000281010034 456108838 /nfs/dbraw/zinc/10/88/38/456108838.db2.gz WSPUEKFPLVXGON-LJQANCHMSA-N 2 1 326.488 3.118 20 0 EGADMP CC(C)n1nccc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000281010034 456108843 /nfs/dbraw/zinc/10/88/43/456108843.db2.gz WSPUEKFPLVXGON-LJQANCHMSA-N 2 1 326.488 3.118 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000263240577 456115259 /nfs/dbraw/zinc/11/52/59/456115259.db2.gz GBDXSICTTUVZCT-AABGKKOBSA-N 2 1 343.515 3.064 20 0 EGADMP CC[NH+](CC)CCOCC[N@H+](Cc1ccno1)Cc1ccccc1 ZINC000273116929 456182488 /nfs/dbraw/zinc/18/24/88/456182488.db2.gz YPNIMBHRUUCXKR-UHFFFAOYSA-N 2 1 331.460 3.035 20 0 EGADMP CC[NH+](CC)CCOCC[N@@H+](Cc1ccno1)Cc1ccccc1 ZINC000273116929 456182496 /nfs/dbraw/zinc/18/24/96/456182496.db2.gz YPNIMBHRUUCXKR-UHFFFAOYSA-N 2 1 331.460 3.035 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000289949674 456192541 /nfs/dbraw/zinc/19/25/41/456192541.db2.gz MCFIDQVKJPJVHN-VDGAXYAQSA-N 2 1 343.515 3.065 20 0 EGADMP Cc1nnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000289959561 456195600 /nfs/dbraw/zinc/19/56/00/456195600.db2.gz WWAXYAIMPCLZTJ-PBHICJAKSA-N 2 1 330.501 3.032 20 0 EGADMP COc1cc(C)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1C ZINC000273187376 456206862 /nfs/dbraw/zinc/20/68/62/456206862.db2.gz PDRDWFGULWNZDP-QZTJIDSGSA-N 2 1 334.504 3.200 20 0 EGADMP c1ccc2c(c1)CC1(CCOCC1)[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297446138 456222666 /nfs/dbraw/zinc/22/26/66/456222666.db2.gz OPKJPZMCAFMPAU-HXUWFJFHSA-N 2 1 326.484 3.297 20 0 EGADMP Cc1[nH]c2ccccc2c1C1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000290042125 456223927 /nfs/dbraw/zinc/22/39/27/456223927.db2.gz RAGLWHYFQPRAIF-SFHVURJKSA-N 2 1 341.499 3.111 20 0 EGADMP Cc1[nH]c2ccccc2c1C1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000290042125 456223929 /nfs/dbraw/zinc/22/39/29/456223929.db2.gz RAGLWHYFQPRAIF-SFHVURJKSA-N 2 1 341.499 3.111 20 0 EGADMP C[C@@H](O)c1ncc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000290085657 456235563 /nfs/dbraw/zinc/23/55/63/456235563.db2.gz QYMZZZWDQVMYFT-WBVHZDCISA-N 2 1 345.512 3.150 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]CCCc2c[nH]c3ccccc23)s1 ZINC000352769442 456290512 /nfs/dbraw/zinc/29/05/12/456290512.db2.gz NDMOSRABHZPBQA-UHFFFAOYSA-N 2 1 328.485 3.408 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(OC)c(O)c(OC)c2)c1 ZINC000290342042 456299599 /nfs/dbraw/zinc/29/95/99/456299599.db2.gz LGJCSKYVTILHEI-UHFFFAOYSA-N 2 1 344.455 3.151 20 0 EGADMP Cc1cccc(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c1C ZINC000275742360 456301950 /nfs/dbraw/zinc/30/19/50/456301950.db2.gz QETQOPWDPQIKGE-LJQANCHMSA-N 2 1 338.499 3.181 20 0 EGADMP Cc1cccc(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c1C ZINC000275742360 456301955 /nfs/dbraw/zinc/30/19/55/456301955.db2.gz QETQOPWDPQIKGE-LJQANCHMSA-N 2 1 338.499 3.181 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OC)cc1OC ZINC000290388953 456312592 /nfs/dbraw/zinc/31/25/92/456312592.db2.gz IPBAFGZHIBJTGS-UHFFFAOYSA-N 2 1 331.460 3.375 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000290388953 456312600 /nfs/dbraw/zinc/31/26/00/456312600.db2.gz IPBAFGZHIBJTGS-UHFFFAOYSA-N 2 1 331.460 3.375 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)N2CCCCCC2)C[C@@H]1c1ccccc1 ZINC000340215021 456319651 /nfs/dbraw/zinc/31/96/51/456319651.db2.gz NRNCOGNBZWBVKC-WOJBJXKFSA-N 2 1 343.515 3.204 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)N2CCCCCC2)C[C@@H]1c1ccccc1 ZINC000340215021 456319660 /nfs/dbraw/zinc/31/96/60/456319660.db2.gz NRNCOGNBZWBVKC-WOJBJXKFSA-N 2 1 343.515 3.204 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CCn2cncn2)c2ccc(C)cc2)C1 ZINC000275814204 456320860 /nfs/dbraw/zinc/32/08/60/456320860.db2.gz FQOGYKSILQMGAR-ICSRJNTNSA-N 2 1 341.503 3.039 20 0 EGADMP CC(C)[NH+](CCCNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)C(C)C ZINC000347715420 456323447 /nfs/dbraw/zinc/32/34/47/456323447.db2.gz FKIXVEINLRECNL-SFHVURJKSA-N 2 1 340.556 3.059 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@]3(CCN(CCC[NH+]4CCCCC4)C3)C2)cc1 ZINC000352814498 456330992 /nfs/dbraw/zinc/33/09/92/456330992.db2.gz HAKFNVZCDMJDPB-QFIPXVFZSA-N 2 1 341.543 3.460 20 0 EGADMP C[NH+](C)CCc1ccccc1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000275851730 456333530 /nfs/dbraw/zinc/33/35/30/456333530.db2.gz LAWDFFBADAJRAO-LJQANCHMSA-N 2 1 325.456 3.032 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCOC3(C)C)CC2)cs1 ZINC000340240097 456335044 /nfs/dbraw/zinc/33/50/44/456335044.db2.gz RNNANGFCBOQUSM-INIZCTEOSA-N 2 1 337.533 3.075 20 0 EGADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340244562 456337588 /nfs/dbraw/zinc/33/75/88/456337588.db2.gz KAOGFLVWWJROJG-FYQPLNBISA-N 2 1 343.515 3.059 20 0 EGADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340244562 456337597 /nfs/dbraw/zinc/33/75/97/456337597.db2.gz KAOGFLVWWJROJG-FYQPLNBISA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)(C)OC(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352822933 456337562 /nfs/dbraw/zinc/33/75/62/456337562.db2.gz IVICRTIHMKYPKL-OAQYLSRUSA-N 2 1 344.499 3.316 20 0 EGADMP CC(C)(C)OC(=O)CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352822933 456337569 /nfs/dbraw/zinc/33/75/69/456337569.db2.gz IVICRTIHMKYPKL-OAQYLSRUSA-N 2 1 344.499 3.316 20 0 EGADMP CC(C)(C)OC(=O)CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352822933 456337572 /nfs/dbraw/zinc/33/75/72/456337572.db2.gz IVICRTIHMKYPKL-OAQYLSRUSA-N 2 1 344.499 3.316 20 0 EGADMP CC(C)(C)OC(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352822933 456337576 /nfs/dbraw/zinc/33/75/76/456337576.db2.gz IVICRTIHMKYPKL-OAQYLSRUSA-N 2 1 344.499 3.316 20 0 EGADMP CC[C@@H](Nc1cc[nH+]c(C)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000302367471 456337785 /nfs/dbraw/zinc/33/77/85/456337785.db2.gz BFFJANBJPANWCQ-UXHICEINSA-N 2 1 325.456 3.482 20 0 EGADMP CC[C@@H](Nc1cc[nH+]c(C)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000302367471 456337791 /nfs/dbraw/zinc/33/77/91/456337791.db2.gz BFFJANBJPANWCQ-UXHICEINSA-N 2 1 325.456 3.482 20 0 EGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000347756264 456351885 /nfs/dbraw/zinc/35/18/85/456351885.db2.gz ZWFAVXCDOADJPU-UHFFFAOYSA-N 2 1 325.456 3.416 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(O)c(OCC)c1 ZINC000298067440 456356657 /nfs/dbraw/zinc/35/66/57/456356657.db2.gz KSEPEVUSIHTCIF-UHFFFAOYSA-N 2 1 331.460 3.462 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(O)c(OCC)c1 ZINC000298067440 456356662 /nfs/dbraw/zinc/35/66/62/456356662.db2.gz KSEPEVUSIHTCIF-UHFFFAOYSA-N 2 1 331.460 3.462 20 0 EGADMP COc1cccc2c(N3CCC[C@H]4C[N@H+](C)CC[C@H]43)cc(C)[nH+]c12 ZINC000302702435 456378767 /nfs/dbraw/zinc/37/87/67/456378767.db2.gz BKYZVTINCQYKQJ-DOTOQJQBSA-N 2 1 325.456 3.472 20 0 EGADMP COc1cccc2c(N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)cc(C)[nH+]c12 ZINC000302702435 456378772 /nfs/dbraw/zinc/37/87/72/456378772.db2.gz BKYZVTINCQYKQJ-DOTOQJQBSA-N 2 1 325.456 3.472 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000290651952 456395702 /nfs/dbraw/zinc/39/57/02/456395702.db2.gz QYLFXYYXHVWDNF-OAHLLOKOSA-N 2 1 345.487 3.345 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccccc2OC)[C@@H](C)C1 ZINC000276191394 456409895 /nfs/dbraw/zinc/40/98/95/456409895.db2.gz IEWVUPDBISYVOW-AZUAARDMSA-N 2 1 348.531 3.354 20 0 EGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(C(F)(F)F)cc1 ZINC000282238005 456451339 /nfs/dbraw/zinc/45/13/39/456451339.db2.gz IYIJAEKNEWYLHA-CQSZACIVSA-N 2 1 343.437 3.382 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)[C@H]1SC ZINC000298475420 456467309 /nfs/dbraw/zinc/46/73/09/456467309.db2.gz PCNJYLDWZZESNE-XUVXKRRUSA-N 2 1 348.556 3.458 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000340508021 456499748 /nfs/dbraw/zinc/49/97/48/456499748.db2.gz NWPFIBGWELDUNI-PIKOESSRSA-N 2 1 343.515 3.153 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000340508021 456499754 /nfs/dbraw/zinc/49/97/54/456499754.db2.gz NWPFIBGWELDUNI-PIKOESSRSA-N 2 1 343.515 3.153 20 0 EGADMP C[C@H](C(=O)N(C)[C@H](c1ncc[nH]1)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000298613068 456501517 /nfs/dbraw/zinc/50/15/17/456501517.db2.gz OJFQIIMFZZLPFW-HPFXQQBRSA-N 2 1 340.471 3.219 20 0 EGADMP c1cc2c(nc[nH+]c2NCc2ccccc2C[NH+]2CCCCCC2)[nH]1 ZINC000353152904 456525311 /nfs/dbraw/zinc/52/53/11/456525311.db2.gz XAXRZNKRFPHJCR-UHFFFAOYSA-N 2 1 335.455 3.368 20 0 EGADMP C[C@@H]1C[C@@H](N(C)c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000348228416 456550933 /nfs/dbraw/zinc/55/09/33/456550933.db2.gz QLQGYKSJYNKSAN-WBVHZDCISA-N 2 1 335.455 3.447 20 0 EGADMP C[C@@H]1C[C@@H](N(C)c2[nH+]cnc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000348228416 456550936 /nfs/dbraw/zinc/55/09/36/456550936.db2.gz QLQGYKSJYNKSAN-WBVHZDCISA-N 2 1 335.455 3.447 20 0 EGADMP Cc1nn(-c2ccccn2)c(C)c1CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000282746394 456611974 /nfs/dbraw/zinc/61/19/74/456611974.db2.gz GMHWCEDYCUQUDB-GOSISDBHSA-N 2 1 341.503 3.190 20 0 EGADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000316768122 456615499 /nfs/dbraw/zinc/61/54/99/456615499.db2.gz DMOSZRNEJHEROQ-SMDDNHRTSA-N 2 1 344.286 3.381 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(-c2cnn(C)c2)c1 ZINC000282853759 456645643 /nfs/dbraw/zinc/64/56/43/456645643.db2.gz TVKCZIINEGPQMD-RXVVDRJESA-N 2 1 338.499 3.312 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2cnn(C)c2)c1 ZINC000282853759 456645651 /nfs/dbraw/zinc/64/56/51/456645651.db2.gz TVKCZIINEGPQMD-RXVVDRJESA-N 2 1 338.499 3.312 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(-c2cnn(C)c2)c1 ZINC000282853759 456645658 /nfs/dbraw/zinc/64/56/58/456645658.db2.gz TVKCZIINEGPQMD-RXVVDRJESA-N 2 1 338.499 3.312 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000299367169 456670270 /nfs/dbraw/zinc/67/02/70/456670270.db2.gz KBTCNPKRIOCNPX-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000324779490 456673082 /nfs/dbraw/zinc/67/30/82/456673082.db2.gz HLJOXKNYIIRMSP-SFHVURJKSA-N 2 1 326.488 3.309 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000324779490 456673084 /nfs/dbraw/zinc/67/30/84/456673084.db2.gz HLJOXKNYIIRMSP-SFHVURJKSA-N 2 1 326.488 3.309 20 0 EGADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](CC2CCCC2)c2ccccc2)CC1 ZINC000338169307 456680197 /nfs/dbraw/zinc/68/01/97/456680197.db2.gz KKSCRIKEMZSEDL-HXUWFJFHSA-N 2 1 343.515 3.062 20 0 EGADMP CSCc1cnc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000353511277 456725219 /nfs/dbraw/zinc/72/52/19/456725219.db2.gz AVUPAEAHMSQOBO-AWEZNQCLSA-N 2 1 325.547 3.170 20 0 EGADMP CSCc1cnc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000353511277 456725226 /nfs/dbraw/zinc/72/52/26/456725226.db2.gz AVUPAEAHMSQOBO-AWEZNQCLSA-N 2 1 325.547 3.170 20 0 EGADMP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000353535140 456739470 /nfs/dbraw/zinc/73/94/70/456739470.db2.gz VHZNRWYGONXJRY-BSIFCXSSSA-N 2 1 339.483 3.446 20 0 EGADMP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000353535140 456739481 /nfs/dbraw/zinc/73/94/81/456739481.db2.gz VHZNRWYGONXJRY-BSIFCXSSSA-N 2 1 339.483 3.446 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000348536660 456746745 /nfs/dbraw/zinc/74/67/45/456746745.db2.gz SUCOBOSWRRVLFF-ZDUSSCGKSA-N 2 1 343.406 3.430 20 0 EGADMP CN(CC[N@@H+](C)[C@H]1CCc2ccc(Cl)cc21)C1CC[NH+](C)CC1 ZINC000343779455 456774058 /nfs/dbraw/zinc/77/40/58/456774058.db2.gz ZNKVPCPMAXGLBW-IBGZPJMESA-N 2 1 335.923 3.285 20 0 EGADMP C[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343917251 456782288 /nfs/dbraw/zinc/78/22/88/456782288.db2.gz CUVSHJDVGYXPCN-UIFIKXQLSA-N 2 1 327.516 3.022 20 0 EGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1O ZINC000277336294 456784045 /nfs/dbraw/zinc/78/40/45/456784045.db2.gz XUFOTNAVRWLEIC-HUUCEWRRSA-N 2 1 331.460 3.153 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C2CCC(C(F)(F)F)CC2)CC1 ZINC000344160211 456802624 /nfs/dbraw/zinc/80/26/24/456802624.db2.gz FOMVPEGQPHHEJK-UHFFFAOYSA-N 2 1 349.485 3.455 20 0 EGADMP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCCC[C@H]1C ZINC000338434493 456817238 /nfs/dbraw/zinc/81/72/38/456817238.db2.gz CUOBJRCQCPTXTQ-MSOLQXFVSA-N 2 1 343.515 3.275 20 0 EGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](C[C@@H]4CCCOC4)C3)CC2)cc1 ZINC000353642190 456823685 /nfs/dbraw/zinc/82/36/85/456823685.db2.gz GUCPBWFBAZTZMS-FQEVSTJZSA-N 2 1 328.500 3.401 20 0 EGADMP CCO[C@H]1COCC[C@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000353670940 456844757 /nfs/dbraw/zinc/84/47/57/456844757.db2.gz BRRNKEYHMFJILO-VFUGHAIPSA-N 2 1 346.515 3.213 20 0 EGADMP C[C@]12CCCN1C[C@@H](c1noc([C@H]3CCC[N@H+]3C3CCCC3)n1)OC2 ZINC000329574087 456910750 /nfs/dbraw/zinc/91/07/50/456910750.db2.gz JOWMFONNRSMGAT-JTDSTZFVSA-N 2 1 346.475 3.075 20 0 EGADMP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000339066169 456925066 /nfs/dbraw/zinc/92/50/66/456925066.db2.gz IGNDBBBQIYTPRD-NHCUHLMSSA-N 3 1 327.516 3.115 20 0 EGADMP FC(F)(F)COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339068718 456925615 /nfs/dbraw/zinc/92/56/15/456925615.db2.gz PIMKWQXFFLKFDP-GJZGRUSLSA-N 2 1 328.378 3.344 20 0 EGADMP FC(F)(F)COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339068718 456925617 /nfs/dbraw/zinc/92/56/17/456925617.db2.gz PIMKWQXFFLKFDP-GJZGRUSLSA-N 2 1 328.378 3.344 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000345156459 456946204 /nfs/dbraw/zinc/94/62/04/456946204.db2.gz KCNPIHMVXMCRAQ-IRXDYDNUSA-N 2 1 331.504 3.016 20 0 EGADMP C[C@H]1CCC[N@H+](Cc2ccc(CNc3[nH+]cnc4[nH]ccc43)cc2)C1 ZINC000339141960 456961097 /nfs/dbraw/zinc/96/10/97/456961097.db2.gz VZPGGCBWMQVXRW-HNNXBMFYSA-N 2 1 335.455 3.224 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNc3[nH+]cnc4[nH]ccc43)cc2)C1 ZINC000339141960 456961101 /nfs/dbraw/zinc/96/11/01/456961101.db2.gz VZPGGCBWMQVXRW-HNNXBMFYSA-N 2 1 335.455 3.224 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1F ZINC000346472055 457046008 /nfs/dbraw/zinc/04/60/08/457046008.db2.gz AQGHMJSMIQMSDR-RHSMWYFYSA-N 2 1 343.402 3.009 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1F ZINC000346472055 457046014 /nfs/dbraw/zinc/04/60/14/457046014.db2.gz AQGHMJSMIQMSDR-RHSMWYFYSA-N 2 1 343.402 3.009 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(C)CCC(OC)CC2)[C@H](C)C1 ZINC000359007333 457046773 /nfs/dbraw/zinc/04/67/73/457046773.db2.gz ZTBQBWNYLFRPPP-ADEKHHIBSA-N 2 1 340.552 3.308 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000354077205 457047706 /nfs/dbraw/zinc/04/77/06/457047706.db2.gz BXBRCODDXHSWRP-OAHLLOKOSA-N 2 1 328.859 3.412 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000354077205 457047711 /nfs/dbraw/zinc/04/77/11/457047711.db2.gz BXBRCODDXHSWRP-OAHLLOKOSA-N 2 1 328.859 3.412 20 0 EGADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000346498860 457047751 /nfs/dbraw/zinc/04/77/51/457047751.db2.gz KRPGBSDHMIIIPP-CXAGYDPISA-N 2 1 345.830 3.215 20 0 EGADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000346498860 457047758 /nfs/dbraw/zinc/04/77/58/457047758.db2.gz KRPGBSDHMIIIPP-CXAGYDPISA-N 2 1 345.830 3.215 20 0 EGADMP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000356599340 457076906 /nfs/dbraw/zinc/07/69/06/457076906.db2.gz PAVMEYZBEZIEEF-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000356599340 457076911 /nfs/dbraw/zinc/07/69/11/457076911.db2.gz PAVMEYZBEZIEEF-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000356599340 457076916 /nfs/dbraw/zinc/07/69/16/457076916.db2.gz PAVMEYZBEZIEEF-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000356599340 457076920 /nfs/dbraw/zinc/07/69/20/457076920.db2.gz PAVMEYZBEZIEEF-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000362770814 457086819 /nfs/dbraw/zinc/08/68/19/457086819.db2.gz VEGUKTXZIKDDQI-UHFFFAOYSA-N 2 1 345.531 3.332 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC000342085337 457099503 /nfs/dbraw/zinc/09/95/03/457099503.db2.gz MSBOEWBUSOITRG-APHBMKBZSA-N 2 1 328.378 3.143 20 0 EGADMP CC(C)OCC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000349909698 457104271 /nfs/dbraw/zinc/10/42/71/457104271.db2.gz LJLQHKCPTJJKEF-GIVPXCGWSA-N 2 1 348.531 3.147 20 0 EGADMP CC(C)OCC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000349909698 457104275 /nfs/dbraw/zinc/10/42/75/457104275.db2.gz LJLQHKCPTJJKEF-GIVPXCGWSA-N 2 1 348.531 3.147 20 0 EGADMP CC(C)OCC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000349909698 457104284 /nfs/dbraw/zinc/10/42/84/457104284.db2.gz LJLQHKCPTJJKEF-GIVPXCGWSA-N 2 1 348.531 3.147 20 0 EGADMP CC(C)OCC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000349909698 457104292 /nfs/dbraw/zinc/10/42/92/457104292.db2.gz LJLQHKCPTJJKEF-GIVPXCGWSA-N 2 1 348.531 3.147 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)cc2)n1 ZINC000339439294 457119351 /nfs/dbraw/zinc/11/93/51/457119351.db2.gz HLNMJLHSXQWADP-NRFANRHFSA-N 2 1 338.499 3.407 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)cc2)n1 ZINC000339439294 457119359 /nfs/dbraw/zinc/11/93/59/457119359.db2.gz HLNMJLHSXQWADP-NRFANRHFSA-N 2 1 338.499 3.407 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)cc2)n1 ZINC000339439294 457119366 /nfs/dbraw/zinc/11/93/66/457119366.db2.gz HLNMJLHSXQWADP-NRFANRHFSA-N 2 1 338.499 3.407 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+]1CCCN(c2cccc(Cl)c2C)CC1 ZINC000342120800 457120821 /nfs/dbraw/zinc/12/08/21/457120821.db2.gz FKKYZZQSDYZDNW-UHFFFAOYSA-N 2 1 332.879 3.366 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+]1CCCN(c2cccc(Cl)c2C)CC1 ZINC000342120800 457120825 /nfs/dbraw/zinc/12/08/25/457120825.db2.gz FKKYZZQSDYZDNW-UHFFFAOYSA-N 2 1 332.879 3.366 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C(C)=O)cc2)C[C@@H]1C ZINC000354210414 457133123 /nfs/dbraw/zinc/13/31/23/457133123.db2.gz UAQJIQYDZNINEZ-HNAYVOBHSA-N 2 1 345.487 3.022 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C(C)=O)cc2)C[C@@H]1C ZINC000354210414 457133126 /nfs/dbraw/zinc/13/31/26/457133126.db2.gz UAQJIQYDZNINEZ-HNAYVOBHSA-N 2 1 345.487 3.022 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C(C)=O)cc2)C[C@@H]1C ZINC000354210414 457133130 /nfs/dbraw/zinc/13/31/30/457133130.db2.gz UAQJIQYDZNINEZ-HNAYVOBHSA-N 2 1 345.487 3.022 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C(C)=O)cc2)C[C@@H]1C ZINC000354210414 457133132 /nfs/dbraw/zinc/13/31/32/457133132.db2.gz UAQJIQYDZNINEZ-HNAYVOBHSA-N 2 1 345.487 3.022 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342160041 457140869 /nfs/dbraw/zinc/14/08/69/457140869.db2.gz LBTBRZPCTZVZRT-WMHQRMGPSA-N 2 1 335.879 3.035 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342160041 457140877 /nfs/dbraw/zinc/14/08/77/457140877.db2.gz LBTBRZPCTZVZRT-WMHQRMGPSA-N 2 1 335.879 3.035 20 0 EGADMP COCCSCCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000362913189 457153116 /nfs/dbraw/zinc/15/31/16/457153116.db2.gz PUVUYVBXMQGVJY-GOSISDBHSA-N 2 1 328.566 3.200 20 0 EGADMP CC[N@H+](CCC1CCN(c2[nH+]cnc3[nH]ccc32)CC1)CC1CC1 ZINC000356799450 457171817 /nfs/dbraw/zinc/17/18/17/457171817.db2.gz TVXVBZNYRRHNJL-UHFFFAOYSA-N 2 1 327.476 3.296 20 0 EGADMP CC[N@@H+](CCC1CCN(c2[nH+]cnc3[nH]ccc32)CC1)CC1CC1 ZINC000356799450 457171821 /nfs/dbraw/zinc/17/18/21/457171821.db2.gz TVXVBZNYRRHNJL-UHFFFAOYSA-N 2 1 327.476 3.296 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OCCC(C)C ZINC000346842447 457182762 /nfs/dbraw/zinc/18/27/62/457182762.db2.gz HUZLUQIXBFRRHX-OKZBNKHCSA-N 2 1 332.488 3.289 20 0 EGADMP Cc1nc(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c(C)o1 ZINC000356878343 457193163 /nfs/dbraw/zinc/19/31/63/457193163.db2.gz SRRPTAHGTJLCMY-SVFBPWRDSA-N 2 1 339.483 3.334 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CC4=CCCOC4)C3)C2)cc1 ZINC000360072294 457238153 /nfs/dbraw/zinc/23/81/53/457238153.db2.gz BGMXUZQWZJBESM-OAQYLSRUSA-N 2 1 326.484 3.321 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CC4=CCCOC4)C3)C2)cc1 ZINC000360072294 457238163 /nfs/dbraw/zinc/23/81/63/457238163.db2.gz BGMXUZQWZJBESM-OAQYLSRUSA-N 2 1 326.484 3.321 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CC4=CCCOC4)C3)C2)cc1 ZINC000360072294 457238170 /nfs/dbraw/zinc/23/81/70/457238170.db2.gz BGMXUZQWZJBESM-OAQYLSRUSA-N 2 1 326.484 3.321 20 0 EGADMP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000357019180 457279894 /nfs/dbraw/zinc/27/98/94/457279894.db2.gz VVTSSPURVRLOAO-KSZLIROESA-N 2 1 337.552 3.266 20 0 EGADMP COc1cc2c(c(C[NH2+]CC(C)(C)C[NH+]3CCCC3)c1)O[C@@H](C)C2 ZINC000360166137 457284106 /nfs/dbraw/zinc/28/41/06/457284106.db2.gz PGVSPRAKVBCXOT-HNNXBMFYSA-N 2 1 332.488 3.230 20 0 EGADMP CC(C)[C@@H]1C[NH+](C/C=C\C[N@H+]2CCCO[C@H](C(C)C)C2)CCCO1 ZINC000339812524 457284634 /nfs/dbraw/zinc/28/46/34/457284634.db2.gz KVISGJWIOJPXCO-XHHZUUQWSA-N 2 1 338.536 3.036 20 0 EGADMP CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC1 ZINC000363300100 457287602 /nfs/dbraw/zinc/28/76/02/457287602.db2.gz XUOJLLKKFWSDKD-MRXNPFEDSA-N 2 1 348.491 3.236 20 0 EGADMP C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000342422028 457294641 /nfs/dbraw/zinc/29/46/41/457294641.db2.gz YQKKWCOUNNMENV-IEBWSBKVSA-N 2 1 345.531 3.134 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Br)cc4cccnc43)C[C@H]12 ZINC000351495937 457300714 /nfs/dbraw/zinc/30/07/14/457300714.db2.gz QDYIPLXXPMLERU-VBNZEHGJSA-N 2 1 346.272 3.166 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Br)cc4cccnc43)C[C@H]12 ZINC000351495937 457300718 /nfs/dbraw/zinc/30/07/18/457300718.db2.gz QDYIPLXXPMLERU-VBNZEHGJSA-N 2 1 346.272 3.166 20 0 EGADMP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000357088318 457315822 /nfs/dbraw/zinc/31/58/22/457315822.db2.gz RPWCTYWTMPZFES-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP FC(F)n1c2ccccc2nc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357093543 457318608 /nfs/dbraw/zinc/31/86/08/457318608.db2.gz WMKBZKLKSFKIOC-AWEZNQCLSA-N 2 1 334.414 3.253 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[NH+](C)C[C@@H]2C)cc1 ZINC000352016128 457331001 /nfs/dbraw/zinc/33/10/01/457331001.db2.gz VGANKBSYSDJASY-SJORKVTESA-N 2 1 331.504 3.083 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000352016128 457331008 /nfs/dbraw/zinc/33/10/08/457331008.db2.gz VGANKBSYSDJASY-SJORKVTESA-N 2 1 331.504 3.083 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000352016128 457331013 /nfs/dbraw/zinc/33/10/13/457331013.db2.gz VGANKBSYSDJASY-SJORKVTESA-N 2 1 331.504 3.083 20 0 EGADMP Cc1[nH+]ccn1CCCN1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000363459106 457337181 /nfs/dbraw/zinc/33/71/81/457337181.db2.gz HFPIVAMWAUIBNI-ZDUSSCGKSA-N 2 1 325.865 3.370 20 0 EGADMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000355364945 457365550 /nfs/dbraw/zinc/36/55/50/457365550.db2.gz FEPISVYXFQHVTA-GDBMZVCRSA-N 2 1 346.500 3.183 20 0 EGADMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000355364945 457365554 /nfs/dbraw/zinc/36/55/54/457365554.db2.gz FEPISVYXFQHVTA-GDBMZVCRSA-N 2 1 346.500 3.183 20 0 EGADMP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352494813 457413563 /nfs/dbraw/zinc/41/35/63/457413563.db2.gz FXGYMWNVOGLXEZ-PXNSSMCTSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352494813 457413571 /nfs/dbraw/zinc/41/35/71/457413571.db2.gz FXGYMWNVOGLXEZ-PXNSSMCTSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccc2ccccc2c1 ZINC000352507900 457426810 /nfs/dbraw/zinc/42/68/10/457426810.db2.gz DVYDNJUWYKPVNU-JXFKEZNVSA-N 2 1 339.483 3.220 20 0 EGADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccc2ccccc2c1 ZINC000352507900 457426813 /nfs/dbraw/zinc/42/68/13/457426813.db2.gz DVYDNJUWYKPVNU-JXFKEZNVSA-N 2 1 339.483 3.220 20 0 EGADMP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352511039 457429822 /nfs/dbraw/zinc/42/98/22/457429822.db2.gz QCMXOEVWJFEKOG-GOSISDBHSA-N 2 1 349.494 3.156 20 0 EGADMP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352511039 457429828 /nfs/dbraw/zinc/42/98/28/457429828.db2.gz QCMXOEVWJFEKOG-GOSISDBHSA-N 2 1 349.494 3.156 20 0 EGADMP COCC[NH+]1CCC([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)CC1 ZINC000360919985 457432294 /nfs/dbraw/zinc/43/22/94/457432294.db2.gz OQUHEOPYXYTHKL-UHFFFAOYSA-N 2 1 340.870 3.368 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1)C(C)C ZINC000357313405 457439486 /nfs/dbraw/zinc/43/94/86/457439486.db2.gz XEMRKEXZQMYGKI-TXPKVOOTSA-N 2 1 331.504 3.033 20 0 EGADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000360932501 457441481 /nfs/dbraw/zinc/44/14/81/457441481.db2.gz DPQFDTVFULBXNN-OAHLLOKOSA-N 2 1 343.475 3.416 20 0 EGADMP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352534902 457446164 /nfs/dbraw/zinc/44/61/64/457446164.db2.gz KLZPMEWGQSDMSX-MRXNPFEDSA-N 2 1 328.378 3.203 20 0 EGADMP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352534902 457446168 /nfs/dbraw/zinc/44/61/68/457446168.db2.gz KLZPMEWGQSDMSX-MRXNPFEDSA-N 2 1 328.378 3.203 20 0 EGADMP Cc1ccccc1CCC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000364136898 457493983 /nfs/dbraw/zinc/49/39/83/457493983.db2.gz XJHPMOKDJRBMIZ-OAQYLSRUSA-N 2 1 329.532 3.028 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCC[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000400618101 457518645 /nfs/dbraw/zinc/51/86/45/457518645.db2.gz YONLOHPYWOYNOC-MHTWAQMVSA-N 2 1 328.500 3.303 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)c2ccccc2C1 ZINC000361049062 457541745 /nfs/dbraw/zinc/54/17/45/457541745.db2.gz BEFXRICFOXZHSI-UTKZUKDTSA-N 2 1 343.515 3.334 20 0 EGADMP CO[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)C1CC1 ZINC000425418431 457544222 /nfs/dbraw/zinc/54/42/22/457544222.db2.gz IPIHUOIXFPJRJT-RTWAWAEBSA-N 2 1 328.500 3.400 20 0 EGADMP CO[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000425418431 457544227 /nfs/dbraw/zinc/54/42/27/457544227.db2.gz IPIHUOIXFPJRJT-RTWAWAEBSA-N 2 1 328.500 3.400 20 0 EGADMP CO[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000425418431 457544232 /nfs/dbraw/zinc/54/42/32/457544232.db2.gz IPIHUOIXFPJRJT-RTWAWAEBSA-N 2 1 328.500 3.400 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)s1 ZINC000352733089 457568021 /nfs/dbraw/zinc/56/80/21/457568021.db2.gz QWVINDFEYMHDLX-RDJZCZTQSA-N 2 1 349.475 3.354 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000361077378 457568803 /nfs/dbraw/zinc/56/88/03/457568803.db2.gz AZBPZTNHRJTUEP-VQTJNVASSA-N 2 1 343.515 3.036 20 0 EGADMP CCC1(CC)[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H](C)[C@H]1OC ZINC000352737486 457571014 /nfs/dbraw/zinc/57/10/14/457571014.db2.gz PDIGBFMGRWWDDM-APHBMKBZSA-N 2 1 325.522 3.134 20 0 EGADMP CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000347649916 457574424 /nfs/dbraw/zinc/57/44/24/457574424.db2.gz NDNTXTBCNZFRMM-RTBURBONSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1cc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000357594481 457612741 /nfs/dbraw/zinc/61/27/41/457612741.db2.gz FHUWNWQUJZPZCQ-IRXDYDNUSA-N 2 1 331.847 3.024 20 0 EGADMP CSC1(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCC1 ZINC000356438114 457626080 /nfs/dbraw/zinc/62/60/80/457626080.db2.gz MDMLTJUQNJFAKS-GOSISDBHSA-N 2 1 334.529 3.019 20 0 EGADMP C[C@@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000357741745 457674828 /nfs/dbraw/zinc/67/48/28/457674828.db2.gz MPFCSZKFDGSRFH-ZWKOTPCHSA-N 2 1 347.503 3.187 20 0 EGADMP CCc1ccc([C@@H](CC)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000361354533 457704050 /nfs/dbraw/zinc/70/40/50/457704050.db2.gz DXIASEKVQZUAGX-HXUWFJFHSA-N 2 1 345.531 3.232 20 0 EGADMP C[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000357897559 457726922 /nfs/dbraw/zinc/72/69/22/457726922.db2.gz JBWALWPAGABSLB-QZTJIDSGSA-N 2 1 343.515 3.133 20 0 EGADMP C[C@]1(CO)CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000361432811 457729897 /nfs/dbraw/zinc/72/98/97/457729897.db2.gz VFBWGMXFSOGJLQ-KKURMSBHSA-N 2 1 328.500 3.323 20 0 EGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CCOCC4CC4)C3)CC2)cc1 ZINC000433074433 457750309 /nfs/dbraw/zinc/75/03/09/457750309.db2.gz DDORRQJHBDJNGU-UHFFFAOYSA-N 2 1 328.500 3.401 20 0 EGADMP CCn1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)c1=O ZINC000433088737 457755043 /nfs/dbraw/zinc/75/50/43/457755043.db2.gz MRXCDBNUXSMQOP-APWZRJJASA-N 2 1 331.504 3.001 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000433120935 457761620 /nfs/dbraw/zinc/76/16/20/457761620.db2.gz POLIMXXVWZRCCE-UXHICEINSA-N 2 1 343.515 3.203 20 0 EGADMP CC[N@H+](C)Cc1cccc(CNc2[nH+]c3cccc(F)c3n2C)c1 ZINC000443512479 457773229 /nfs/dbraw/zinc/77/32/29/457773229.db2.gz SNSVBSIHQJLIKW-UHFFFAOYSA-N 2 1 326.419 3.198 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNc2[nH+]c3cccc(F)c3n2C)c1 ZINC000443512479 457773237 /nfs/dbraw/zinc/77/32/37/457773237.db2.gz SNSVBSIHQJLIKW-UHFFFAOYSA-N 2 1 326.419 3.198 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000457739993 457813041 /nfs/dbraw/zinc/81/30/41/457813041.db2.gz OVAPVGDVJNSRAS-QGZVFWFLSA-N 2 1 340.556 3.061 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000433347962 457816357 /nfs/dbraw/zinc/81/63/57/457816357.db2.gz QVSGCLRWVGMNII-KRWDZBQOSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)OC(=O)CCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000361676810 457819277 /nfs/dbraw/zinc/81/92/77/457819277.db2.gz AUJNJNBZTSZUOP-PMACEKPBSA-N 2 1 344.499 3.315 20 0 EGADMP CC(C)OC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000361676810 457819283 /nfs/dbraw/zinc/81/92/83/457819283.db2.gz AUJNJNBZTSZUOP-PMACEKPBSA-N 2 1 344.499 3.315 20 0 EGADMP CC(C)OC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000361676810 457819288 /nfs/dbraw/zinc/81/92/88/457819288.db2.gz AUJNJNBZTSZUOP-PMACEKPBSA-N 2 1 344.499 3.315 20 0 EGADMP CC(C)OC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000361676810 457819291 /nfs/dbraw/zinc/81/92/91/457819291.db2.gz AUJNJNBZTSZUOP-PMACEKPBSA-N 2 1 344.499 3.315 20 0 EGADMP CC(C)OC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000361676810 457819297 /nfs/dbraw/zinc/81/92/97/457819297.db2.gz AUJNJNBZTSZUOP-PMACEKPBSA-N 2 1 344.499 3.315 20 0 EGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ncco4)cc3F)CC[C@H]21 ZINC000411328298 457857771 /nfs/dbraw/zinc/85/77/71/457857771.db2.gz PKYDASSDFOLDOW-SJLPKXTDSA-N 2 1 329.419 3.397 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ncco4)cc3F)CC[C@H]21 ZINC000411328298 457857778 /nfs/dbraw/zinc/85/77/78/457857778.db2.gz PKYDASSDFOLDOW-SJLPKXTDSA-N 2 1 329.419 3.397 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ncco4)cc3F)CC[C@H]21 ZINC000411328298 457857782 /nfs/dbraw/zinc/85/77/82/457857782.db2.gz PKYDASSDFOLDOW-SJLPKXTDSA-N 2 1 329.419 3.397 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4ncco4)cc3F)CC[C@H]21 ZINC000411328298 457857788 /nfs/dbraw/zinc/85/77/88/457857788.db2.gz PKYDASSDFOLDOW-SJLPKXTDSA-N 2 1 329.419 3.397 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000411437611 457889042 /nfs/dbraw/zinc/88/90/42/457889042.db2.gz ADAKAGDFDRDHDI-UHFFFAOYSA-N 2 1 333.451 3.023 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000411437611 457889050 /nfs/dbraw/zinc/88/90/50/457889050.db2.gz ADAKAGDFDRDHDI-UHFFFAOYSA-N 2 1 333.451 3.023 20 0 EGADMP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358251774 457889467 /nfs/dbraw/zinc/88/94/67/457889467.db2.gz LKEVADDVYODVQM-CVEARBPZSA-N 2 1 330.394 3.203 20 0 EGADMP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358251774 457889473 /nfs/dbraw/zinc/88/94/73/457889473.db2.gz LKEVADDVYODVQM-CVEARBPZSA-N 2 1 330.394 3.203 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCO[C@H]1CCCCO1 ZINC000366982855 457916104 /nfs/dbraw/zinc/91/61/04/457916104.db2.gz PKRKDYIQEWRVIW-NRSPTQNISA-N 2 1 346.515 3.420 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCO[C@H]1CCCCO1 ZINC000366982855 457916109 /nfs/dbraw/zinc/91/61/09/457916109.db2.gz PKRKDYIQEWRVIW-NRSPTQNISA-N 2 1 346.515 3.420 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1csc(CCc2ccccc2)n1 ZINC000361929752 457962494 /nfs/dbraw/zinc/96/24/94/457962494.db2.gz ZOMLJKFGPHBNHI-QAPCUYQASA-N 2 1 329.513 3.358 20 0 EGADMP c1ncc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000411749186 457968995 /nfs/dbraw/zinc/96/89/95/457968995.db2.gz UYQRGZBJACCRIY-MSOLQXFVSA-N 2 1 327.497 3.140 20 0 EGADMP c1ncc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000411749186 457969005 /nfs/dbraw/zinc/96/90/05/457969005.db2.gz UYQRGZBJACCRIY-MSOLQXFVSA-N 2 1 327.497 3.140 20 0 EGADMP c1ncc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000411749186 457969012 /nfs/dbraw/zinc/96/90/12/457969012.db2.gz UYQRGZBJACCRIY-MSOLQXFVSA-N 2 1 327.497 3.140 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000361957205 457977585 /nfs/dbraw/zinc/97/75/85/457977585.db2.gz JQZOTXIKOMZLBP-RRFJBIMHSA-N 2 1 347.894 3.444 20 0 EGADMP COC(=O)c1coc([C@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000375663248 458009815 /nfs/dbraw/zinc/00/98/15/458009815.db2.gz JFAQIVIRZGRFLD-DOTOQJQBSA-N 2 1 342.439 3.239 20 0 EGADMP CCSc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000368366659 458031518 /nfs/dbraw/zinc/03/15/18/458031518.db2.gz GUVCFKITZRFRRE-PXNSSMCTSA-N 2 1 347.572 3.256 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358517110 458052012 /nfs/dbraw/zinc/05/20/12/458052012.db2.gz OXIRRDSSYINGFH-AWEZNQCLSA-N 2 1 335.879 3.051 20 0 EGADMP Cc1nnc([C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)[nH]1 ZINC000412046637 458065560 /nfs/dbraw/zinc/06/55/60/458065560.db2.gz SNLUXFOAPMRTGM-IBGZPJMESA-N 2 1 339.487 3.089 20 0 EGADMP Cc1n[nH]c([C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000412046637 458065571 /nfs/dbraw/zinc/06/55/71/458065571.db2.gz SNLUXFOAPMRTGM-IBGZPJMESA-N 2 1 339.487 3.089 20 0 EGADMP Cc1n[nH]c([C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000412046637 458065577 /nfs/dbraw/zinc/06/55/77/458065577.db2.gz SNLUXFOAPMRTGM-IBGZPJMESA-N 2 1 339.487 3.089 20 0 EGADMP Cc1nc([C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n[nH]1 ZINC000412046637 458065588 /nfs/dbraw/zinc/06/55/88/458065588.db2.gz SNLUXFOAPMRTGM-IBGZPJMESA-N 2 1 339.487 3.089 20 0 EGADMP Cc1nc([C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n[nH]1 ZINC000412046637 458065597 /nfs/dbraw/zinc/06/55/97/458065597.db2.gz SNLUXFOAPMRTGM-IBGZPJMESA-N 2 1 339.487 3.089 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCCC2(CCCC2)C1)c1ccccc1 ZINC000445848626 458100442 /nfs/dbraw/zinc/10/04/42/458100442.db2.gz HPUOVASVWLULIK-LJQANCHMSA-N 2 1 343.515 3.062 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc(C)c1OCc1ccccn1 ZINC000435372829 458121687 /nfs/dbraw/zinc/12/16/87/458121687.db2.gz SRPAAGUJPNXAFP-MJGOQNOKSA-N 2 1 339.483 3.447 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[C@H]1[NH3+] ZINC000435379724 458127738 /nfs/dbraw/zinc/12/77/38/458127738.db2.gz KJVLWCNWPQFCSM-SWLSCSKDSA-N 2 1 338.377 3.060 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000435378779 458128093 /nfs/dbraw/zinc/12/80/93/458128093.db2.gz GJTZNQHSBZMBSA-XJKSGUPXSA-N 2 1 346.906 3.371 20 0 EGADMP COc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1OCc1cccnc1 ZINC000435380615 458128815 /nfs/dbraw/zinc/12/88/15/458128815.db2.gz RWYAHTYVFRFLLO-UHFFFAOYSA-N 2 1 343.471 3.086 20 0 EGADMP CC[C@@H](CC1CCCC1)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369334845 458175548 /nfs/dbraw/zinc/17/55/48/458175548.db2.gz JEWNDFRUIQKCAH-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](CC1CCCC1)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369334845 458175557 /nfs/dbraw/zinc/17/55/57/458175557.db2.gz JEWNDFRUIQKCAH-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)CCCCCC[NH3+])[C@H]1c1cccs1 ZINC000372106116 458196242 /nfs/dbraw/zinc/19/62/42/458196242.db2.gz VPWFWRWKRVLZGV-QAPCUYQASA-N 2 1 337.533 3.156 20 0 EGADMP Cc1cc(C)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(C)c1 ZINC000372330232 458278582 /nfs/dbraw/zinc/27/85/82/458278582.db2.gz FQPRYQYWXLEOEO-CTNGQTDRSA-N 2 1 329.532 3.070 20 0 EGADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000372333682 458280143 /nfs/dbraw/zinc/28/01/43/458280143.db2.gz RXCPUMIKQMCDDW-DENIHFKCSA-N 2 1 343.559 3.343 20 0 EGADMP CCOC(=O)C1CCC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000436278571 458281067 /nfs/dbraw/zinc/28/10/67/458281067.db2.gz AVUZHOMQBZFOGT-TVPLGVNVSA-N 2 1 336.520 3.495 20 0 EGADMP C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372359295 458289670 /nfs/dbraw/zinc/28/96/70/458289670.db2.gz UQFHIFVMPFXRMR-STZQEDGTSA-N 2 1 338.495 3.090 20 0 EGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000447531488 458306182 /nfs/dbraw/zinc/30/61/82/458306182.db2.gz RQXRLNFKXCUPGH-NMLBUPMWSA-N 2 1 346.515 3.099 20 0 EGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000447531488 458306184 /nfs/dbraw/zinc/30/61/84/458306184.db2.gz RQXRLNFKXCUPGH-NMLBUPMWSA-N 2 1 346.515 3.099 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000459383119 458352842 /nfs/dbraw/zinc/35/28/42/458352842.db2.gz FHMLPLNBMJBMPX-CYBMUJFWSA-N 2 1 332.517 3.403 20 0 EGADMP C[N@H+]1CCN(CCC[NH2+]C2CC3(CCC3)C2)[C@H](c2ccccc2)C1 ZINC000448072183 458386679 /nfs/dbraw/zinc/38/66/79/458386679.db2.gz ZMMXGWMOFQAUEO-FQEVSTJZSA-N 2 1 327.516 3.288 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000376825023 458398348 /nfs/dbraw/zinc/39/83/48/458398348.db2.gz ZXJJOHJDKHJMLQ-WJMWBRGCSA-N 2 1 330.516 3.285 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000459588046 458420583 /nfs/dbraw/zinc/42/05/83/458420583.db2.gz KOPQZIKJVDREQW-AWEZNQCLSA-N 2 1 328.435 3.289 20 0 EGADMP C[NH+](C)C1(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000437105819 458427338 /nfs/dbraw/zinc/42/73/38/458427338.db2.gz FGDNAVVRQAFSPP-PCCBWWKXSA-N 2 1 341.543 3.361 20 0 EGADMP CN(C)C1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000437105819 458427344 /nfs/dbraw/zinc/42/73/44/458427344.db2.gz FGDNAVVRQAFSPP-PCCBWWKXSA-N 2 1 341.543 3.361 20 0 EGADMP CN(C)C1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000437105819 458427348 /nfs/dbraw/zinc/42/73/48/458427348.db2.gz FGDNAVVRQAFSPP-PCCBWWKXSA-N 2 1 341.543 3.361 20 0 EGADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423477377 458438762 /nfs/dbraw/zinc/43/87/62/458438762.db2.gz TXDOPNHMPUESDY-WBVHZDCISA-N 2 1 338.455 3.301 20 0 EGADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000423505533 458445696 /nfs/dbraw/zinc/44/56/96/458445696.db2.gz LVPBIZYADOQQSI-YMQHIKHWSA-N 3 1 327.516 3.004 20 0 EGADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000423505530 458446063 /nfs/dbraw/zinc/44/60/63/458446063.db2.gz LVPBIZYADOQQSI-CRSSMBPESA-N 3 1 327.516 3.004 20 0 EGADMP [NH3+]C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1CCCC1 ZINC000423510076 458447385 /nfs/dbraw/zinc/44/73/85/458447385.db2.gz RZFKBUCOAFAUPO-NCYKPQTJSA-N 2 1 327.516 3.004 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCC3=CC[NH2+]CC3)[C@H]3CCC[C@H]32)cc1 ZINC000423546586 458456048 /nfs/dbraw/zinc/45/60/48/458456048.db2.gz ZDEDSJDUCHIRKO-YPAWHYETSA-N 3 1 339.527 3.329 20 0 EGADMP c1ccc(CN2CC[C@@H]([NH2+]CCC3=CC[NH2+]CC3)[C@H]3CCC[C@H]32)cc1 ZINC000423546586 458456053 /nfs/dbraw/zinc/45/60/53/458456053.db2.gz ZDEDSJDUCHIRKO-YPAWHYETSA-N 2 1 339.527 3.329 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459722445 458457118 /nfs/dbraw/zinc/45/71/18/458457118.db2.gz BJXKWFKFAPKSDU-QGZVFWFLSA-N 2 1 344.478 3.450 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000373309547 458458068 /nfs/dbraw/zinc/45/80/68/458458068.db2.gz GQBIREZDBRQPST-MRXNPFEDSA-N 2 1 336.549 3.214 20 0 EGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1C ZINC000459735810 458462306 /nfs/dbraw/zinc/46/23/06/458462306.db2.gz PSFMKEBBYSOAIP-SJLPKXTDSA-N 2 1 331.504 3.342 20 0 EGADMP C[C@@H](CCC[NH3+])NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000423696924 458472647 /nfs/dbraw/zinc/47/26/47/458472647.db2.gz YJBNELWMRRTZGD-KRWDZBQOSA-N 2 1 339.483 3.176 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000430644213 458474675 /nfs/dbraw/zinc/47/46/75/458474675.db2.gz TXMIZRSWLHOMHI-SFHVURJKSA-N 2 1 337.467 3.370 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000430644213 458474680 /nfs/dbraw/zinc/47/46/80/458474680.db2.gz TXMIZRSWLHOMHI-SFHVURJKSA-N 2 1 337.467 3.370 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459780939 458477696 /nfs/dbraw/zinc/47/76/96/458477696.db2.gz LZZFAESXHBPNRH-IRXDYDNUSA-N 2 1 331.504 3.288 20 0 EGADMP Cc1ccccc1C[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468551146 458526429 /nfs/dbraw/zinc/52/64/29/458526429.db2.gz BZYXQEBSLIIGBI-DENIHFKCSA-N 2 1 338.495 3.153 20 0 EGADMP Cc1ccccc1C[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468551146 458526437 /nfs/dbraw/zinc/52/64/37/458526437.db2.gz BZYXQEBSLIIGBI-DENIHFKCSA-N 2 1 338.495 3.153 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438092620 458530847 /nfs/dbraw/zinc/53/08/47/458530847.db2.gz ACVCXZBWGSLZEL-INIZCTEOSA-N 2 1 333.451 3.240 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424169786 458576664 /nfs/dbraw/zinc/57/66/64/458576664.db2.gz HJFUHNIKMKWFHW-IPMKNSEASA-N 2 1 335.536 3.007 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC[C@H]1CCC[NH+]1C ZINC000469770983 458589122 /nfs/dbraw/zinc/58/91/22/458589122.db2.gz XEWZZUBDDKHHFN-JYRKZWEQSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NCC[C@H]1CCC[N@@H+]1C ZINC000469770983 458589131 /nfs/dbraw/zinc/58/91/31/458589131.db2.gz XEWZZUBDDKHHFN-JYRKZWEQSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NCC[C@H]1CCC[N@H+]1C ZINC000469770983 458589136 /nfs/dbraw/zinc/58/91/36/458589136.db2.gz XEWZZUBDDKHHFN-JYRKZWEQSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC[C@H]1CCC[NH+]1C ZINC000469770983 458589143 /nfs/dbraw/zinc/58/91/43/458589143.db2.gz XEWZZUBDDKHHFN-JYRKZWEQSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC[C@H]1CCC[NH+]1C ZINC000469770983 458589152 /nfs/dbraw/zinc/58/91/52/458589152.db2.gz XEWZZUBDDKHHFN-JYRKZWEQSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000469770983 458589158 /nfs/dbraw/zinc/58/91/58/458589158.db2.gz XEWZZUBDDKHHFN-JYRKZWEQSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000469770983 458589163 /nfs/dbraw/zinc/58/91/63/458589163.db2.gz XEWZZUBDDKHHFN-JYRKZWEQSA-N 3 1 329.532 3.217 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424262338 458596366 /nfs/dbraw/zinc/59/63/66/458596366.db2.gz FWPFFHDHQNUYIT-SFHVURJKSA-N 2 1 345.512 3.127 20 0 EGADMP C[NH2+]CCC1CC[NH+](Cc2cc(Br)c(OC)s2)CC1 ZINC000469857456 458597037 /nfs/dbraw/zinc/59/70/37/458597037.db2.gz UYJSEBXNAMGQDI-UHFFFAOYSA-N 2 1 347.322 3.341 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1)C1CC1 ZINC000438560752 458597699 /nfs/dbraw/zinc/59/76/99/458597699.db2.gz ICOUTWTYZSTKMI-UHFFFAOYSA-N 2 1 343.515 3.227 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(OC[C@@H]3CCCO3)cc1)CC[NH2+]CC2 ZINC000424282676 458602671 /nfs/dbraw/zinc/60/26/71/458602671.db2.gz AACXMPUKEQNHTF-XLIONFOSSA-N 2 1 344.499 3.208 20 0 EGADMP CCC[C@H](NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424289002 458605532 /nfs/dbraw/zinc/60/55/32/458605532.db2.gz LEXVTOIGTLSFEH-HKUYNNGSSA-N 2 1 343.515 3.108 20 0 EGADMP CC[NH2+]CC1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000470002178 458605845 /nfs/dbraw/zinc/60/58/45/458605845.db2.gz DMQLFSJWYXVDGP-UHFFFAOYSA-N 3 1 331.548 3.466 20 0 EGADMP CC[NH2+]CC1CC[NH+](CC(C)(C)CN(C)Cc2ccccc2)CC1 ZINC000470002178 458605847 /nfs/dbraw/zinc/60/58/47/458605847.db2.gz DMQLFSJWYXVDGP-UHFFFAOYSA-N 2 1 331.548 3.466 20 0 EGADMP Cc1sc(NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)c1C ZINC000424300522 458609484 /nfs/dbraw/zinc/60/94/84/458609484.db2.gz WNIHFEARMRIULF-LBPRGKRZSA-N 2 1 335.517 3.076 20 0 EGADMP COC(=O)CC1CC([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000424303445 458610382 /nfs/dbraw/zinc/61/03/82/458610382.db2.gz NZJIOQQHSJXAQZ-NBMLLWRISA-N 2 1 344.499 3.074 20 0 EGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431746523 458617086 /nfs/dbraw/zinc/61/70/86/458617086.db2.gz UVPXRJRFYUALGN-AOIWGVFYSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431746523 458617090 /nfs/dbraw/zinc/61/70/90/458617090.db2.gz UVPXRJRFYUALGN-AOIWGVFYSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431746523 458617094 /nfs/dbraw/zinc/61/70/94/458617094.db2.gz UVPXRJRFYUALGN-AOIWGVFYSA-N 2 1 335.536 3.020 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OCc1cccnc1 ZINC000424371880 458627476 /nfs/dbraw/zinc/62/74/76/458627476.db2.gz VWJCQDAUXTXXRW-QZTJIDSGSA-N 2 1 341.455 3.029 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000494140707 458631232 /nfs/dbraw/zinc/63/12/32/458631232.db2.gz FCXBFCGFXROHIL-MRXNPFEDSA-N 2 1 338.496 3.063 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000494140707 458631236 /nfs/dbraw/zinc/63/12/36/458631236.db2.gz FCXBFCGFXROHIL-MRXNPFEDSA-N 2 1 338.496 3.063 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000424445287 458645045 /nfs/dbraw/zinc/64/50/45/458645045.db2.gz OIRJUBOMIPXRCP-AWEZNQCLSA-N 2 1 332.492 3.086 20 0 EGADMP CCOc1cc2[nH+]ccc(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2cc1OCC ZINC000462868323 458663493 /nfs/dbraw/zinc/66/34/93/458663493.db2.gz AYLUVCZCAYGRTP-GJZGRUSLSA-N 2 1 343.471 3.349 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000502798243 458671456 /nfs/dbraw/zinc/67/14/56/458671456.db2.gz ZQPIZLFGIVMNJE-DLBZAZTESA-N 2 1 348.535 3.145 20 0 EGADMP CCC[N@H+](CCn1cc[nH+]c1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502943980 458682749 /nfs/dbraw/zinc/68/27/49/458682749.db2.gz MHNFDWNZQDGRJZ-MRXNPFEDSA-N 2 1 328.460 3.321 20 0 EGADMP CCC[N@@H+](CCn1cc[nH+]c1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502943980 458682753 /nfs/dbraw/zinc/68/27/53/458682753.db2.gz MHNFDWNZQDGRJZ-MRXNPFEDSA-N 2 1 328.460 3.321 20 0 EGADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000530216385 458719629 /nfs/dbraw/zinc/71/96/29/458719629.db2.gz BDBFAQDOCRSZEJ-GIVPXCGWSA-N 2 1 342.458 3.058 20 0 EGADMP CCCCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432368155 458724865 /nfs/dbraw/zinc/72/48/65/458724865.db2.gz KVXHICOOBNABHF-GOSISDBHSA-N 2 1 334.504 3.456 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CCCO1 ZINC000432424614 458737108 /nfs/dbraw/zinc/73/71/08/458737108.db2.gz PPIZAQMCXMYOER-HMXCVIKNSA-N 2 1 330.516 3.488 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CCCO1 ZINC000432424614 458737118 /nfs/dbraw/zinc/73/71/18/458737118.db2.gz PPIZAQMCXMYOER-HMXCVIKNSA-N 2 1 330.516 3.488 20 0 EGADMP C[C@H](NCC[NH+]1CCCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511520 458753390 /nfs/dbraw/zinc/75/33/90/458753390.db2.gz HLRUNRVUUHNMIW-PZJWPPBQSA-N 2 1 329.532 3.363 20 0 EGADMP CC[C@@H](C(=O)NC1CC[NH+](C2CCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000456726551 458765392 /nfs/dbraw/zinc/76/53/92/458765392.db2.gz JMIWFTRXIDUMHP-FQEVSTJZSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000547733605 458782487 /nfs/dbraw/zinc/78/24/87/458782487.db2.gz WHPXJYOYFQBBMS-SFHVURJKSA-N 2 1 337.552 3.412 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000547733605 458782490 /nfs/dbraw/zinc/78/24/90/458782490.db2.gz WHPXJYOYFQBBMS-SFHVURJKSA-N 2 1 337.552 3.412 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547733605 458782493 /nfs/dbraw/zinc/78/24/93/458782493.db2.gz WHPXJYOYFQBBMS-SFHVURJKSA-N 2 1 337.552 3.412 20 0 EGADMP Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000472347746 458788635 /nfs/dbraw/zinc/78/86/35/458788635.db2.gz PZAPYKLPJRCYLM-UYAOXDASSA-N 2 1 339.483 3.268 20 0 EGADMP CC[N@H+](CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)C(C)C ZINC000495185606 458806579 /nfs/dbraw/zinc/80/65/79/458806579.db2.gz BJHOHAZEAJJXIZ-UHFFFAOYSA-N 2 1 327.513 3.142 20 0 EGADMP CC[N@@H+](CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)C(C)C ZINC000495185606 458806585 /nfs/dbraw/zinc/80/65/85/458806585.db2.gz BJHOHAZEAJJXIZ-UHFFFAOYSA-N 2 1 327.513 3.142 20 0 EGADMP Cc1[nH+]c2ccccc2c(NCCC[N@H+]2CCCO[C@H](C)C2)c1C ZINC000432880531 458807152 /nfs/dbraw/zinc/80/71/52/458807152.db2.gz OGJUEPVJZDHACG-OAHLLOKOSA-N 2 1 327.472 3.186 20 0 EGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC000548061436 458830201 /nfs/dbraw/zinc/83/02/01/458830201.db2.gz ZYWVDNQIXRECAA-UHFFFAOYSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+](C)CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548061436 458830205 /nfs/dbraw/zinc/83/02/05/458830205.db2.gz ZYWVDNQIXRECAA-UHFFFAOYSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+](C)CC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548061436 458830207 /nfs/dbraw/zinc/83/02/07/458830207.db2.gz ZYWVDNQIXRECAA-UHFFFAOYSA-N 2 1 337.552 3.220 20 0 EGADMP FC(F)(F)OCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000474059730 458858385 /nfs/dbraw/zinc/85/83/85/458858385.db2.gz OZSOPUJYXODJGY-IXDOHACOSA-N 2 1 342.405 3.413 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)cc1)C(C)C ZINC000457126187 458876535 /nfs/dbraw/zinc/87/65/35/458876535.db2.gz QYGXJYFPAZJEII-HXUWFJFHSA-N 2 1 345.531 3.472 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1)C(C)C ZINC000457126187 458876539 /nfs/dbraw/zinc/87/65/39/458876539.db2.gz QYGXJYFPAZJEII-HXUWFJFHSA-N 2 1 345.531 3.472 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1)C(C)C ZINC000457126187 458876544 /nfs/dbraw/zinc/87/65/44/458876544.db2.gz QYGXJYFPAZJEII-HXUWFJFHSA-N 2 1 345.531 3.472 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)cc1)C(C)C ZINC000457126186 458876591 /nfs/dbraw/zinc/87/65/91/458876591.db2.gz QYGXJYFPAZJEII-FQEVSTJZSA-N 2 1 345.531 3.472 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1)C(C)C ZINC000457126186 458876595 /nfs/dbraw/zinc/87/65/95/458876595.db2.gz QYGXJYFPAZJEII-FQEVSTJZSA-N 2 1 345.531 3.472 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1)C(C)C ZINC000457126186 458876599 /nfs/dbraw/zinc/87/65/99/458876599.db2.gz QYGXJYFPAZJEII-FQEVSTJZSA-N 2 1 345.531 3.472 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCC(C)CC2)[C@H]1C ZINC000474461633 458887273 /nfs/dbraw/zinc/88/72/73/458887273.db2.gz PWWGYXJVCPBARY-VJANTYMQSA-N 2 1 338.536 3.310 20 0 EGADMP OC[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000577028144 458964904 /nfs/dbraw/zinc/96/49/04/458964904.db2.gz DUUPJOBBCCMHEC-CIAFKFPVSA-N 2 1 342.527 3.285 20 0 EGADMP CC[C@@H](C(=O)N1CCC[NH+](C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000577028538 458965209 /nfs/dbraw/zinc/96/52/09/458965209.db2.gz POXCLTKPHCYAOL-IBGZPJMESA-N 2 1 345.531 3.230 20 0 EGADMP Cc1cc(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc(C)n1 ZINC000519592898 458969245 /nfs/dbraw/zinc/96/92/45/458969245.db2.gz BTEIVTVLIIXDJW-IBGZPJMESA-N 2 1 344.503 3.295 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2)n1 ZINC000566858639 459012764 /nfs/dbraw/zinc/01/27/64/459012764.db2.gz SJEMAOAMNRAOIW-WOJBJXKFSA-N 2 1 338.499 3.311 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1Cl ZINC000519865736 459018901 /nfs/dbraw/zinc/01/89/01/459018901.db2.gz XQTVDZRVBRAEJE-SFHVURJKSA-N 2 1 335.923 3.249 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000577373695 459024279 /nfs/dbraw/zinc/02/42/79/459024279.db2.gz YBRHFDSOMQULAF-DLBZAZTESA-N 2 1 325.456 3.065 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc3[nH]ccc3c2)[C@@H](C)C1 ZINC000442806182 459040758 /nfs/dbraw/zinc/04/07/58/459040758.db2.gz BIWNKCBPVBUJKF-PXNSSMCTSA-N 2 1 343.515 3.437 20 0 EGADMP CC(C)[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(F)ccc1F ZINC000442864271 459047148 /nfs/dbraw/zinc/04/71/48/459047148.db2.gz CGHLGUCPOCJZGT-SFHVURJKSA-N 2 1 339.474 3.278 20 0 EGADMP CC(C)COc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442878026 459050525 /nfs/dbraw/zinc/05/05/25/459050525.db2.gz SBJZVRUSDGEXOL-GOSISDBHSA-N 2 1 347.547 3.398 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000442921047 459060996 /nfs/dbraw/zinc/06/09/96/459060996.db2.gz MLEAKBISJIGVFY-QGZVFWFLSA-N 2 1 325.456 3.221 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000477917679 459066492 /nfs/dbraw/zinc/06/64/92/459066492.db2.gz OIVCUIZEOHHUTN-ICSRJNTNSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477917679 459066498 /nfs/dbraw/zinc/06/64/98/459066498.db2.gz OIVCUIZEOHHUTN-ICSRJNTNSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058139 459079251 /nfs/dbraw/zinc/07/92/51/459079251.db2.gz JLDQODDJVWEEOV-XHSDSOJGSA-N 2 1 343.471 3.059 20 0 EGADMP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443064791 459080943 /nfs/dbraw/zinc/08/09/43/459080943.db2.gz YWSVGHUYFYXCMN-UKRRQHHQSA-N 2 1 348.878 3.436 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000443065674 459082641 /nfs/dbraw/zinc/08/26/41/459082641.db2.gz CLKCCNYTVGCOIW-XLIONFOSSA-N 2 1 337.467 3.427 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc2c(c1)CCC(=O)N2 ZINC000532442419 459089137 /nfs/dbraw/zinc/08/91/37/459089137.db2.gz JCWPTAXBSURXTG-HOTGVXAUSA-N 2 1 329.488 3.486 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000521246771 459135327 /nfs/dbraw/zinc/13/53/27/459135327.db2.gz MDCYPRRCIQMADH-KRWDZBQOSA-N 2 1 339.911 3.181 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000567678539 459143265 /nfs/dbraw/zinc/14/32/65/459143265.db2.gz VJYJJNATKOXEMJ-VQIMIIECSA-N 2 1 338.923 3.345 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccccc2F)[C@H](C)C1 ZINC000479518296 459144693 /nfs/dbraw/zinc/14/46/93/459144693.db2.gz QJVMAFMZBZOYKQ-YLJYHZDGSA-N 2 1 336.495 3.485 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000594786044 459154439 /nfs/dbraw/zinc/15/44/39/459154439.db2.gz HHDWUTPGYFXJNZ-GOSISDBHSA-N 2 1 325.456 3.092 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000594786044 459154444 /nfs/dbraw/zinc/15/44/44/459154444.db2.gz HHDWUTPGYFXJNZ-GOSISDBHSA-N 2 1 325.456 3.092 20 0 EGADMP COCC[N@@H+](C)CC[C@@H](N[C@H](C)c1cncnc1C)c1ccccc1 ZINC000578522368 459215537 /nfs/dbraw/zinc/21/55/37/459215537.db2.gz JLVMALPTVGLNLK-YLJYHZDGSA-N 2 1 342.487 3.145 20 0 EGADMP CC1CC[NH+]([C@H](CN[C@@H]2CC[N@@H+](C)C[C@H]2C)c2ccccc2)CC1 ZINC000481032679 459229790 /nfs/dbraw/zinc/22/97/90/459229790.db2.gz CRQHYIYOCPGFDG-HMXCVIKNSA-N 2 1 329.532 3.389 20 0 EGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000481179822 459237421 /nfs/dbraw/zinc/23/74/21/459237421.db2.gz JPZSYNYVMWCKJB-GUDVDZBRSA-N 2 1 347.547 3.398 20 0 EGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000481179822 459237426 /nfs/dbraw/zinc/23/74/26/459237426.db2.gz JPZSYNYVMWCKJB-GUDVDZBRSA-N 2 1 347.547 3.398 20 0 EGADMP CCCC[NH+]1CCC(NC(=O)[C@@H](CC)[N@@H+](C)Cc2ccccc2)CC1 ZINC000559280167 459249472 /nfs/dbraw/zinc/24/94/72/459249472.db2.gz CVRNLQQSPNLRPF-HXUWFJFHSA-N 2 1 345.531 3.278 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)C[C@H]1c1ccccc1 ZINC000559753450 459276221 /nfs/dbraw/zinc/27/62/21/459276221.db2.gz NSRGKSNGMRIIQM-ULQDDVLXSA-N 2 1 341.421 3.048 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)C[C@H]1c1ccccc1 ZINC000559753450 459276225 /nfs/dbraw/zinc/27/62/25/459276225.db2.gz NSRGKSNGMRIIQM-ULQDDVLXSA-N 2 1 341.421 3.048 20 0 EGADMP C[C@@H](NC[C@H](C)[NH+]1CCC(C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481971236 459282657 /nfs/dbraw/zinc/28/26/57/459282657.db2.gz GQCLGQGGOJLCQW-RBUKOAKNSA-N 2 1 347.547 3.398 20 0 EGADMP CC(C)c1[nH+]c(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c2ccccn21 ZINC000568634237 459320819 /nfs/dbraw/zinc/32/08/19/459320819.db2.gz HCMCGYSUCYZBFK-FUHWJXTLSA-N 2 1 326.488 3.374 20 0 EGADMP CCC(C)(C)[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000560343691 459326701 /nfs/dbraw/zinc/32/67/01/459326701.db2.gz UGROGMONNMZITC-LPHOPBHVSA-N 2 1 345.531 3.298 20 0 EGADMP CCCOc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000482896750 459329636 /nfs/dbraw/zinc/32/96/36/459329636.db2.gz ULFMHJFHDWCTJM-HKUYNNGSSA-N 2 1 334.504 3.219 20 0 EGADMP CC[N@@H+](CCC1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1)CC1CC1 ZINC000582675371 459408161 /nfs/dbraw/zinc/40/81/61/459408161.db2.gz GWJDNMSEIFTIPU-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@@H+](CCOc1ccc(Br)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000525001305 459410570 /nfs/dbraw/zinc/41/05/70/459410570.db2.gz LMLBZPQIHZXGRY-CQSZACIVSA-N 2 1 341.293 3.102 20 0 EGADMP C[NH+](CCOc1ccc(Br)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000525001305 459410575 /nfs/dbraw/zinc/41/05/75/459410575.db2.gz LMLBZPQIHZXGRY-CQSZACIVSA-N 2 1 341.293 3.102 20 0 EGADMP C[NH+](CCOc1ccc(Br)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000525001305 459410579 /nfs/dbraw/zinc/41/05/79/459410579.db2.gz LMLBZPQIHZXGRY-CQSZACIVSA-N 2 1 341.293 3.102 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C3CCC(C)CC3)CC2)CC1 ZINC000561114322 459421041 /nfs/dbraw/zinc/42/10/41/459421041.db2.gz SJZZCHDUKFAHEI-UHFFFAOYSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nc(C2([NH3+])CCCCC2)no1 ZINC000569474197 459458914 /nfs/dbraw/zinc/45/89/14/459458914.db2.gz HEQHJQFLKKREHE-NVXWUHKLSA-N 2 1 340.471 3.423 20 0 EGADMP C[N@@H+](CCOc1ccccc1C(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000525488292 459460216 /nfs/dbraw/zinc/46/02/16/459460216.db2.gz JJFINGWRXSDCNH-AWEZNQCLSA-N 2 1 330.394 3.358 20 0 EGADMP C[NH+](CCOc1ccccc1C(F)(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000525488292 459460219 /nfs/dbraw/zinc/46/02/19/459460219.db2.gz JJFINGWRXSDCNH-AWEZNQCLSA-N 2 1 330.394 3.358 20 0 EGADMP C[NH+](CCOc1ccccc1C(F)(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000525488292 459460222 /nfs/dbraw/zinc/46/02/22/459460222.db2.gz JJFINGWRXSDCNH-AWEZNQCLSA-N 2 1 330.394 3.358 20 0 EGADMP CC1(C)CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000541544139 459464518 /nfs/dbraw/zinc/46/45/18/459464518.db2.gz QOLGLZSRUNPHTL-OALUTQOASA-N 2 1 343.515 3.052 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccc(Br)s1 ZINC000583032672 459472089 /nfs/dbraw/zinc/47/20/89/459472089.db2.gz PQCMHXVTGACIQW-UHFFFAOYSA-N 2 1 328.279 3.309 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccc(Br)s1 ZINC000583032672 459472095 /nfs/dbraw/zinc/47/20/95/459472095.db2.gz PQCMHXVTGACIQW-UHFFFAOYSA-N 2 1 328.279 3.309 20 0 EGADMP c1cc2cc(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)ccc2[nH]1 ZINC000569708525 459498127 /nfs/dbraw/zinc/49/81/27/459498127.db2.gz OPAZNTWYIPIKGN-UHFFFAOYSA-N 2 1 335.451 3.290 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C[C@@H]1C ZINC000596093649 459516845 /nfs/dbraw/zinc/51/68/45/459516845.db2.gz CUHMZBXPXTYAIU-DSLXNQLJSA-N 2 1 336.520 3.066 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](CCC)[NH2+]C(C)C)CC1 ZINC000498271523 459578284 /nfs/dbraw/zinc/57/82/84/459578284.db2.gz HWAYGXCEKSDGIF-SFHVURJKSA-N 2 1 325.541 3.124 20 0 EGADMP COCc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000527240754 459615464 /nfs/dbraw/zinc/61/54/64/459615464.db2.gz WTXLWEBWKGJUOC-SZPZYZBQSA-N 2 1 336.479 3.397 20 0 EGADMP COCc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000527240754 459615471 /nfs/dbraw/zinc/61/54/71/459615471.db2.gz WTXLWEBWKGJUOC-SZPZYZBQSA-N 2 1 336.479 3.397 20 0 EGADMP COCc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000527240754 459615476 /nfs/dbraw/zinc/61/54/76/459615476.db2.gz WTXLWEBWKGJUOC-SZPZYZBQSA-N 2 1 336.479 3.397 20 0 EGADMP COCc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000527240754 459615482 /nfs/dbraw/zinc/61/54/82/459615482.db2.gz WTXLWEBWKGJUOC-SZPZYZBQSA-N 2 1 336.479 3.397 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000573090138 459624849 /nfs/dbraw/zinc/62/48/49/459624849.db2.gz RYJGLNPQHJWMNK-LJQANCHMSA-N 2 1 326.488 3.027 20 0 EGADMP COc1cc(C[N@H+](C)CCCc2c[nH+]cn2C)c(SC)cc1OC ZINC000584180385 459675487 /nfs/dbraw/zinc/67/54/87/459675487.db2.gz LNFLSSVBXUTZRO-UHFFFAOYSA-N 2 1 349.500 3.224 20 0 EGADMP COc1cc(C[N@@H+](C)CCCc2c[nH+]cn2C)c(SC)cc1OC ZINC000584180385 459675491 /nfs/dbraw/zinc/67/54/91/459675491.db2.gz LNFLSSVBXUTZRO-UHFFFAOYSA-N 2 1 349.500 3.224 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)c1 ZINC000562987621 459687339 /nfs/dbraw/zinc/68/73/39/459687339.db2.gz TYEXQMBRPYOUNW-UWJYYQICSA-N 2 1 326.484 3.393 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000573694907 459719598 /nfs/dbraw/zinc/71/95/98/459719598.db2.gz HRJNBLWAPFEBHG-INIZCTEOSA-N 2 1 335.492 3.187 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000573694907 459719606 /nfs/dbraw/zinc/71/96/06/459719606.db2.gz HRJNBLWAPFEBHG-INIZCTEOSA-N 2 1 335.492 3.187 20 0 EGADMP Cc1ncc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)n1C ZINC000573698612 459721498 /nfs/dbraw/zinc/72/14/98/459721498.db2.gz CPOOXSDPCXRZOA-MRXNPFEDSA-N 2 1 326.488 3.250 20 0 EGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000563135918 459723190 /nfs/dbraw/zinc/72/31/90/459723190.db2.gz PHHNITKCMGMGIB-GHMZBOCLSA-N 2 1 337.265 3.055 20 0 EGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563214849 459740487 /nfs/dbraw/zinc/74/04/87/459740487.db2.gz AVSJROWMZPUSNM-RDJZCZTQSA-N 2 1 341.455 3.090 20 0 EGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563214849 459740491 /nfs/dbraw/zinc/74/04/91/459740491.db2.gz AVSJROWMZPUSNM-RDJZCZTQSA-N 2 1 341.455 3.090 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)CC[C@@H]3CCC[N@H+]3C)C2)s1 ZINC000563214697 459740544 /nfs/dbraw/zinc/74/05/44/459740544.db2.gz CVRKRXICARLHIW-ROUUACIJSA-N 2 1 335.561 3.295 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CC[C@@H]3CCC[NH+]3C)C2)s1 ZINC000563214697 459740549 /nfs/dbraw/zinc/74/05/49/459740549.db2.gz CVRKRXICARLHIW-ROUUACIJSA-N 2 1 335.561 3.295 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CC[C@@H]3CCC[NH+]3C)C2)s1 ZINC000563214697 459740554 /nfs/dbraw/zinc/74/05/54/459740554.db2.gz CVRKRXICARLHIW-ROUUACIJSA-N 2 1 335.561 3.295 20 0 EGADMP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H](C)CCSc2ccccc2)CC1 ZINC000573931517 459759025 /nfs/dbraw/zinc/75/90/25/459759025.db2.gz WZLBUDYUMNEXHU-KRWDZBQOSA-N 2 1 336.545 3.382 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1(C)C ZINC000527891793 459766501 /nfs/dbraw/zinc/76/65/01/459766501.db2.gz DDSLMUDPXIRZEN-KRWDZBQOSA-N 2 1 339.886 3.082 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)CC[N@@H+]1C ZINC000527939396 459777375 /nfs/dbraw/zinc/77/73/75/459777375.db2.gz NTUZEFOQOLMIEK-CRAIPNDOSA-N 2 1 346.519 3.464 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)CC[N@H+]1C ZINC000527939396 459777378 /nfs/dbraw/zinc/77/73/78/459777378.db2.gz NTUZEFOQOLMIEK-CRAIPNDOSA-N 2 1 346.519 3.464 20 0 EGADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000545150526 459803688 /nfs/dbraw/zinc/80/36/88/459803688.db2.gz GIIWNQCPSQHKKM-KRWDZBQOSA-N 2 1 336.888 3.225 20 0 EGADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000545150526 459803693 /nfs/dbraw/zinc/80/36/93/459803693.db2.gz GIIWNQCPSQHKKM-KRWDZBQOSA-N 2 1 336.888 3.225 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(Oc3cnccn3)cc1)CC[NH2+]CC2 ZINC000574311382 459805050 /nfs/dbraw/zinc/80/50/50/459805050.db2.gz UWTQSYUELVXLTC-MRXNPFEDSA-N 2 1 338.455 3.233 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000574312017 459805485 /nfs/dbraw/zinc/80/54/85/459805485.db2.gz HPYMJWMBPLAAFH-UMVBOHGHSA-N 2 1 343.298 3.284 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000574312017 459805489 /nfs/dbraw/zinc/80/54/89/459805489.db2.gz HPYMJWMBPLAAFH-UMVBOHGHSA-N 2 1 343.298 3.284 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)[C@H]1c1cccs1 ZINC000566116977 459808856 /nfs/dbraw/zinc/80/88/56/459808856.db2.gz RKJYTYMFLUQIRP-DYEKYZERSA-N 2 1 336.423 3.034 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)[C@H]1c1cccs1 ZINC000566116977 459808859 /nfs/dbraw/zinc/80/88/59/459808859.db2.gz RKJYTYMFLUQIRP-DYEKYZERSA-N 2 1 336.423 3.034 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000566174834 459818606 /nfs/dbraw/zinc/81/86/06/459818606.db2.gz BDFDCVCTUDTKKJ-HCXYKTFWSA-N 2 1 335.536 3.007 20 0 EGADMP COC(=O)c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1F ZINC000597046669 459823521 /nfs/dbraw/zinc/82/35/21/459823521.db2.gz IPAJREYOKQUPIN-HNNXBMFYSA-N 2 1 336.451 3.214 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000566416216 459862321 /nfs/dbraw/zinc/86/23/21/459862321.db2.gz FJALWJOGWCHPOY-UHFFFAOYSA-N 2 1 327.350 3.383 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000566416216 459862328 /nfs/dbraw/zinc/86/23/28/459862328.db2.gz FJALWJOGWCHPOY-UHFFFAOYSA-N 2 1 327.350 3.383 20 0 EGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000545905605 459869486 /nfs/dbraw/zinc/86/94/86/459869486.db2.gz ZEGHLYSWHFUAAG-HNNXBMFYSA-N 2 1 329.488 3.355 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000545905605 459869492 /nfs/dbraw/zinc/86/94/92/459869492.db2.gz ZEGHLYSWHFUAAG-HNNXBMFYSA-N 2 1 329.488 3.355 20 0 EGADMP Cc1cc(-c2noc([C@@H](C)[NH2+]CCCc3c[nH+]cn3C)n2)ccc1F ZINC000574887111 459888441 /nfs/dbraw/zinc/88/84/41/459888441.db2.gz MQADNXWJOYIAIS-CYBMUJFWSA-N 2 1 343.406 3.201 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)CCc1cccc(Br)c1 ZINC000575327392 459960555 /nfs/dbraw/zinc/96/05/55/459960555.db2.gz VJFLLDLHGPYCLO-UHFFFAOYSA-N 2 1 336.277 3.290 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCc1cccc(Br)c1 ZINC000575327392 459960559 /nfs/dbraw/zinc/96/05/59/459960559.db2.gz VJFLLDLHGPYCLO-UHFFFAOYSA-N 2 1 336.277 3.290 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)CC[N@H+]1C ZINC000593723571 459963603 /nfs/dbraw/zinc/96/36/03/459963603.db2.gz YNFFOBXLIKVFTL-MMOPVJDHSA-N 2 1 346.515 3.358 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000575932167 460036241 /nfs/dbraw/zinc/03/62/41/460036241.db2.gz CTOMNOVFBLBXRC-RTBURBONSA-N 2 1 327.472 3.326 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c2ccccc21 ZINC000621751467 460048393 /nfs/dbraw/zinc/04/83/93/460048393.db2.gz HGETUZKGQYDEOH-IEBWSBKVSA-N 2 1 329.488 3.194 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC000621764977 460057114 /nfs/dbraw/zinc/05/71/14/460057114.db2.gz PLGLAXPSAQDVJP-UYAOXDASSA-N 2 1 341.499 3.196 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[NH+](C)C[C@@H]2CC)cc1 ZINC000614335603 460103833 /nfs/dbraw/zinc/10/38/33/460103833.db2.gz QQNSTFTUHWJKIR-FQEVSTJZSA-N 2 1 345.531 3.475 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](C)C[C@@H]2CC)cc1 ZINC000614335603 460103834 /nfs/dbraw/zinc/10/38/34/460103834.db2.gz QQNSTFTUHWJKIR-FQEVSTJZSA-N 2 1 345.531 3.475 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](C)C[C@@H]2CC)cc1 ZINC000614335603 460103837 /nfs/dbraw/zinc/10/38/37/460103837.db2.gz QQNSTFTUHWJKIR-FQEVSTJZSA-N 2 1 345.531 3.475 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000599321379 460228591 /nfs/dbraw/zinc/22/85/91/460228591.db2.gz BVOAKULWEKOGLQ-FQEVSTJZSA-N 2 1 343.515 3.163 20 0 EGADMP C[C@H]1CC(F)(F)CC[NH+]1CCOCC[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000625980078 460324620 /nfs/dbraw/zinc/32/46/20/460324620.db2.gz AQQNTEUHFQLIMQ-KBPBESRZSA-N 2 1 340.405 3.242 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000623086828 460407351 /nfs/dbraw/zinc/40/73/51/460407351.db2.gz MBKPQAQQUGCMBP-UHFFFAOYSA-N 2 1 349.482 3.291 20 0 EGADMP COc1cccc2c1OCCC[C@H]2[NH2+]CCCCn1cc[nH+]c1C ZINC000631581050 460455065 /nfs/dbraw/zinc/45/50/65/460455065.db2.gz CYRWCTLIAMRZOK-QGZVFWFLSA-N 2 1 329.444 3.484 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604774315 460477307 /nfs/dbraw/zinc/47/73/07/460477307.db2.gz PVOLVFICHGJTOJ-BBWFWOEESA-N 2 1 325.541 3.122 20 0 EGADMP CCn1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631667538 460501129 /nfs/dbraw/zinc/50/11/29/460501129.db2.gz QAYUAEUBKMHLNE-AOIWGVFYSA-N 2 1 326.488 3.322 20 0 EGADMP CCn1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631667539 460501721 /nfs/dbraw/zinc/50/17/21/460501721.db2.gz QAYUAEUBKMHLNE-JENIJYKNSA-N 2 1 326.488 3.322 20 0 EGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000629545036 460803221 /nfs/dbraw/zinc/80/32/21/460803221.db2.gz ALSBYQMCZOWRGU-RLLQIKCJSA-N 2 1 331.504 3.374 20 0 EGADMP Cc1ccc2ncc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)cc2c1 ZINC000629546963 460804634 /nfs/dbraw/zinc/80/46/34/460804634.db2.gz IWHGXSHMFREUOI-TYPHKJRUSA-N 2 1 339.483 3.404 20 0 EGADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560556 460808509 /nfs/dbraw/zinc/80/85/09/460808509.db2.gz DSKHYZZFPLCLDS-HUUCEWRRSA-N 2 1 330.394 3.141 20 0 EGADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560556 460808513 /nfs/dbraw/zinc/80/85/13/460808513.db2.gz DSKHYZZFPLCLDS-HUUCEWRRSA-N 2 1 330.394 3.141 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](CCOc2cccc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000629568875 460813220 /nfs/dbraw/zinc/81/32/20/460813220.db2.gz VIWIAQZDNASDLD-SMDDNHRTSA-N 2 1 336.785 3.178 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCOc2cccc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000629568875 460813229 /nfs/dbraw/zinc/81/32/29/460813229.db2.gz VIWIAQZDNASDLD-SMDDNHRTSA-N 2 1 336.785 3.178 20 0 EGADMP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000624005582 460818584 /nfs/dbraw/zinc/81/85/84/460818584.db2.gz WAFJEOLTOQOZLF-VQTJNVASSA-N 2 1 337.467 3.032 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000607384966 460836050 /nfs/dbraw/zinc/83/60/50/460836050.db2.gz RJMSXOBYZQWJSM-UHFFFAOYSA-N 2 1 348.450 3.172 20 0 EGADMP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(OC[C@@H](O)C[NH3+])cc2)cc1 ZINC000629702752 460876029 /nfs/dbraw/zinc/87/60/29/460876029.db2.gz UKOLSPCAJBIQFY-UZLBHIALSA-N 2 1 340.467 3.036 20 0 EGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)C34CCC[NH+](CCC3)C4)c2C1 ZINC000635718145 460896314 /nfs/dbraw/zinc/89/63/14/460896314.db2.gz YBLOLBFCFKAWHO-UHFFFAOYSA-N 2 1 341.499 3.473 20 0 EGADMP CCOc1cncc(CN[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000621340436 460997395 /nfs/dbraw/zinc/99/73/95/460997395.db2.gz FBSBARFRZKITRV-APWZRJJASA-N 2 1 325.456 3.233 20 0 EGADMP CCOc1cncc(CN[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000621340436 460997403 /nfs/dbraw/zinc/99/74/03/460997403.db2.gz FBSBARFRZKITRV-APWZRJJASA-N 2 1 325.456 3.233 20 0 EGADMP CCN(C(=O)c1cccc(C[NH+]2CCCCC2)c1)[C@H]1CC[N@@H+](CC)C1 ZINC000617922658 461022307 /nfs/dbraw/zinc/02/23/07/461022307.db2.gz POEXYDZZEZJXOO-FQEVSTJZSA-N 2 1 343.515 3.229 20 0 EGADMP Cc1ccc([C@@H](C)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000628236417 461057718 /nfs/dbraw/zinc/05/77/18/461057718.db2.gz AFYUNJIUIYGPRO-PGRDOPGGSA-N 2 1 338.495 3.455 20 0 EGADMP Cc1cn2ccc(NC(=O)NC[C@@H](C)[N@H+]3CCCC[C@@H]3C)cc2n1 ZINC000668152045 461137646 /nfs/dbraw/zinc/13/76/46/461137646.db2.gz XMXYWSVWOHEJCU-LSDHHAIUSA-N 2 1 329.448 3.027 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)C1 ZINC000652349318 461142189 /nfs/dbraw/zinc/14/21/89/461142189.db2.gz KLRJBVBKXDERRA-YSVLISHTSA-N 2 1 347.484 3.121 20 0 EGADMP COc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652350124 461144310 /nfs/dbraw/zinc/14/43/10/461144310.db2.gz HBDPLKWDKCBXIL-XCRHUMRWSA-N 2 1 338.879 3.067 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+]([C@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000652350133 461144853 /nfs/dbraw/zinc/14/48/53/461144853.db2.gz HSNFQDSMPJNIJZ-BEKAIBRUSA-N 2 1 332.463 3.421 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+]([C@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000652350135 461145252 /nfs/dbraw/zinc/14/52/52/461145252.db2.gz HSNFQDSMPJNIJZ-RKOGWWSCSA-N 2 1 332.463 3.421 20 0 EGADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCCN(c2ccccc2)C1 ZINC000662265010 461153210 /nfs/dbraw/zinc/15/32/10/461153210.db2.gz TUMQZEJBKKYGBI-OAQYLSRUSA-N 2 1 335.495 3.433 20 0 EGADMP c1ccc(CC[C@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662277530 461163174 /nfs/dbraw/zinc/16/31/74/461163174.db2.gz RCZLLSXBOXQDNO-NRFANRHFSA-N 2 1 336.479 3.166 20 0 EGADMP C[N@H+]1CCC[C@H]1CN1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000649546830 461166332 /nfs/dbraw/zinc/16/63/32/461166332.db2.gz BHPUVOXPTIZPTQ-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@H]1CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000649546830 461166338 /nfs/dbraw/zinc/16/63/38/461166338.db2.gz BHPUVOXPTIZPTQ-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@H]1CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000649546830 461166342 /nfs/dbraw/zinc/16/63/42/461166342.db2.gz BHPUVOXPTIZPTQ-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP Fc1ccccc1-c1noc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000662293022 461170156 /nfs/dbraw/zinc/17/01/56/461170156.db2.gz INMZBXUHASEDMS-HNNXBMFYSA-N 2 1 344.434 3.087 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)c1 ZINC000662295201 461172550 /nfs/dbraw/zinc/17/25/50/461172550.db2.gz FWWJWQKWQGWKAA-MJGOQNOKSA-N 2 1 343.515 3.342 20 0 EGADMP C[N@H+]1CCC[C@@H]1CN1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000649571221 461185551 /nfs/dbraw/zinc/18/55/51/461185551.db2.gz COWOTNQKZTWQIF-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@@H]1CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000649571221 461185558 /nfs/dbraw/zinc/18/55/58/461185558.db2.gz COWOTNQKZTWQIF-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@@H]1CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000649571221 461185566 /nfs/dbraw/zinc/18/55/66/461185566.db2.gz COWOTNQKZTWQIF-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP CN1CCC[C@@H]1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000649571221 461185571 /nfs/dbraw/zinc/18/55/71/461185571.db2.gz COWOTNQKZTWQIF-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP CN1CCC[C@@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000649571221 461185580 /nfs/dbraw/zinc/18/55/80/461185580.db2.gz COWOTNQKZTWQIF-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCc3cncc(C)n3)C2)s1 ZINC000649603225 461211582 /nfs/dbraw/zinc/21/15/82/461211582.db2.gz BEALSPQYEIGLRA-KRWDZBQOSA-N 2 1 344.528 3.151 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCc3cncc(C)n3)C2)s1 ZINC000649603225 461211588 /nfs/dbraw/zinc/21/15/88/461211588.db2.gz BEALSPQYEIGLRA-KRWDZBQOSA-N 2 1 344.528 3.151 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCc3cncc(C)n3)C2)s1 ZINC000649603225 461211608 /nfs/dbraw/zinc/21/16/08/461211608.db2.gz BEALSPQYEIGLRA-KRWDZBQOSA-N 2 1 344.528 3.151 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@H](C[NH+]3CCCC3)C1)CC2 ZINC000638112787 461246774 /nfs/dbraw/zinc/24/67/74/461246774.db2.gz NMIRCHUBWLSIRA-CRAIPNDOSA-N 2 1 330.472 3.109 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@H](C[NH+]3CCCC3)C1)CC2 ZINC000638112787 461246782 /nfs/dbraw/zinc/24/67/82/461246782.db2.gz NMIRCHUBWLSIRA-CRAIPNDOSA-N 2 1 330.472 3.109 20 0 EGADMP c1cc(N2CCC([NH2+][C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc[nH+]1 ZINC000668587894 461341964 /nfs/dbraw/zinc/34/19/64/461341964.db2.gz SSVUOERUGULARM-SFHVURJKSA-N 3 1 328.504 3.047 20 0 EGADMP c1cc(N2CCC([NH2+][C@H]3CC[N@H+](C4CCCCC4)C3)CC2)cc[nH+]1 ZINC000668587894 461341971 /nfs/dbraw/zinc/34/19/71/461341971.db2.gz SSVUOERUGULARM-SFHVURJKSA-N 3 1 328.504 3.047 20 0 EGADMP CSc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)o1 ZINC000641747994 461348315 /nfs/dbraw/zinc/34/83/15/461348315.db2.gz RHQRXYUQFPELES-QGZVFWFLSA-N 2 1 346.496 3.248 20 0 EGADMP CSc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)o1 ZINC000641747994 461348323 /nfs/dbraw/zinc/34/83/23/461348323.db2.gz RHQRXYUQFPELES-QGZVFWFLSA-N 2 1 346.496 3.248 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3cccc4c3CC[NH2+]C4)c2C1 ZINC000662703118 461351441 /nfs/dbraw/zinc/35/14/41/461351441.db2.gz FHAIXJAWUKAYAQ-UHFFFAOYSA-N 2 1 335.451 3.310 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)c3cccc4c3CC[NH2+]C4)c2C1 ZINC000662703118 461351450 /nfs/dbraw/zinc/35/14/50/461351450.db2.gz FHAIXJAWUKAYAQ-UHFFFAOYSA-N 2 1 335.451 3.310 20 0 EGADMP FC(F)(F)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655689900 461363390 /nfs/dbraw/zinc/36/33/90/461363390.db2.gz FKGPGEPWVCQSLO-MRXNPFEDSA-N 2 1 328.378 3.048 20 0 EGADMP Cc1ccc(OCCCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655695304 461368076 /nfs/dbraw/zinc/36/80/76/461368076.db2.gz WVOPTHVHDGZMOY-NRFANRHFSA-N 2 1 346.515 3.387 20 0 EGADMP CC(C)COc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655706256 461378761 /nfs/dbraw/zinc/37/87/61/461378761.db2.gz KIDXUHQUOWNWKT-LJQANCHMSA-N 2 1 332.488 3.064 20 0 EGADMP Cc1ccc(C[C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)c1 ZINC000655710471 461379873 /nfs/dbraw/zinc/37/98/73/461379873.db2.gz BODQJCBRTJGCQF-RXVVDRJESA-N 2 1 330.516 3.467 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3nsc4ccccc43)C2)C1 ZINC000641818412 461387400 /nfs/dbraw/zinc/38/74/00/461387400.db2.gz DQJFJUWCGWHNEK-CPUCHLNUSA-N 2 1 331.485 3.015 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]CCCc3cnn(C)c3)cc2)C1 ZINC000638363580 461388409 /nfs/dbraw/zinc/38/84/09/461388409.db2.gz PHWXZVLMLCJBEK-SFHVURJKSA-N 2 1 340.515 3.374 20 0 EGADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2nc3ccccc3o2)cc1 ZINC000638379663 461398873 /nfs/dbraw/zinc/39/88/73/461398873.db2.gz KHAZJFXUNHSUNT-UHFFFAOYSA-N 2 1 325.412 3.058 20 0 EGADMP CNC(=O)CCC[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638438689 461427744 /nfs/dbraw/zinc/42/77/44/461427744.db2.gz LSJPLCXCTMVNSY-NRFANRHFSA-N 2 1 345.531 3.041 20 0 EGADMP c1ccc([C@@H]2CC[C@H](C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)O2)cc1 ZINC000655768088 461433137 /nfs/dbraw/zinc/43/31/37/461433137.db2.gz PIMIGEJMFUGAQM-HKBOAZHASA-N 2 1 344.499 3.140 20 0 EGADMP Fc1cccc(C2([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCC2)c1 ZINC000655779138 461442050 /nfs/dbraw/zinc/44/20/50/461442050.db2.gz CWRRWERWDJXKJJ-LJQANCHMSA-N 2 1 332.463 3.438 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000659834509 461443635 /nfs/dbraw/zinc/44/36/35/461443635.db2.gz SYAFSGPZJQCNQI-NPKYYYDESA-N 2 1 341.543 3.295 20 0 EGADMP CC(C)O[C@@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC000638558256 461484445 /nfs/dbraw/zinc/48/44/45/461484445.db2.gz WKGKNRPQZORWDN-FQEVSTJZSA-N 2 1 346.515 3.387 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638567485 461488909 /nfs/dbraw/zinc/48/89/09/461488909.db2.gz MWKAAIFQJLRVKQ-FPOVZHCZSA-N 3 1 327.516 3.286 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638567485 461488918 /nfs/dbraw/zinc/48/89/18/461488918.db2.gz MWKAAIFQJLRVKQ-FPOVZHCZSA-N 3 1 327.516 3.286 20 0 EGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3c4ccccc4C[C@@H]3O)CC2)C1 ZINC000655840501 461491426 /nfs/dbraw/zinc/49/14/26/461491426.db2.gz XZPJFHRLSHYLNA-KYPFXXDHSA-N 2 1 328.500 3.277 20 0 EGADMP COc1ccccc1N1CCC([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000631063955 461515347 /nfs/dbraw/zinc/51/53/47/461515347.db2.gz PDNPHFKNGDNVES-MRXNPFEDSA-N 2 1 342.487 3.095 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2Sc3ccccc3NC2=O)C[C@H]1C ZINC000659983090 461528386 /nfs/dbraw/zinc/52/83/86/461528386.db2.gz DEUGCNLBZXLAAI-RVKKMQEKSA-N 2 1 347.528 3.294 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2Sc3ccccc3NC2=O)C[C@H]1C ZINC000659983090 461528393 /nfs/dbraw/zinc/52/83/93/461528393.db2.gz DEUGCNLBZXLAAI-RVKKMQEKSA-N 2 1 347.528 3.294 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H]2Sc3ccccc3NC2=O)C[C@H]1C ZINC000659983090 461528399 /nfs/dbraw/zinc/52/83/99/461528399.db2.gz DEUGCNLBZXLAAI-RVKKMQEKSA-N 2 1 347.528 3.294 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+]C3CCC(F)(F)CC3)cc2)CC1 ZINC000647172687 461542364 /nfs/dbraw/zinc/54/23/64/461542364.db2.gz DTJBMXIDTLJQTI-UHFFFAOYSA-N 2 1 337.458 3.102 20 0 EGADMP COc1cc(OC)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000663343944 461571946 /nfs/dbraw/zinc/57/19/46/461571946.db2.gz KJVMUZCQOSGIMY-OAHLLOKOSA-N 2 1 336.451 3.055 20 0 EGADMP COc1cc(OC)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000663343944 461571956 /nfs/dbraw/zinc/57/19/56/461571956.db2.gz KJVMUZCQOSGIMY-OAHLLOKOSA-N 2 1 336.451 3.055 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(F)c3ccccc23)CC1(C)C ZINC000631126454 461572010 /nfs/dbraw/zinc/57/20/10/461572010.db2.gz KOKDJLIRBFHMCR-UHFFFAOYSA-N 2 1 329.463 3.095 20 0 EGADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(-c2cccs2)n1 ZINC000663345913 461573978 /nfs/dbraw/zinc/57/39/78/461573978.db2.gz OSAKIWLQMNSAGX-INIZCTEOSA-N 2 1 344.528 3.360 20 0 EGADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347234 461576804 /nfs/dbraw/zinc/57/68/04/461576804.db2.gz HPERBCHHCFXGHA-SJLPKXTDSA-N 2 1 329.488 3.115 20 0 EGADMP Cc1nnsc1C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000638796563 461582554 /nfs/dbraw/zinc/58/25/54/461582554.db2.gz KXDKKDCOYDKJRR-WMLDXEAASA-N 2 1 330.501 3.237 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CCC(=O)N(C)c2ccccc2)C1 ZINC000663357209 461586752 /nfs/dbraw/zinc/58/67/52/461586752.db2.gz FFVWHQXNQDGTHD-SFHVURJKSA-N 2 1 331.504 3.141 20 0 EGADMP Fc1cc(Br)cc2c1CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000643058499 461598863 /nfs/dbraw/zinc/59/88/63/461598863.db2.gz IDAHIRXTKGUOHO-LBPRGKRZSA-N 2 1 341.268 3.336 20 0 EGADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000638860534 461622997 /nfs/dbraw/zinc/62/29/97/461622997.db2.gz ZBDQHTQNGRKQJN-YTXYEVPYSA-N 2 1 343.515 3.247 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(F)c1N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638915386 461647816 /nfs/dbraw/zinc/64/78/16/461647816.db2.gz LQTUDZYSJRLTGL-CRAIPNDOSA-N 2 1 327.447 3.408 20 0 EGADMP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469584 461659424 /nfs/dbraw/zinc/65/94/24/461659424.db2.gz QVAFOJOKBNMSPE-RDJZCZTQSA-N 2 1 347.478 3.254 20 0 EGADMP COc1cc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)sn1 ZINC000660270331 461677378 /nfs/dbraw/zinc/67/73/78/461677378.db2.gz TVFWTHGMISNTMS-QWHZDKJVSA-N 2 1 345.512 3.398 20 0 EGADMP COc1cc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)sn1 ZINC000660270331 461677387 /nfs/dbraw/zinc/67/73/87/461677387.db2.gz TVFWTHGMISNTMS-QWHZDKJVSA-N 2 1 345.512 3.398 20 0 EGADMP Cc1cc(CO)cc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)[nH+]1 ZINC000663529352 461690368 /nfs/dbraw/zinc/69/03/68/461690368.db2.gz AKBYQTQFULQJII-UHFFFAOYSA-N 2 1 339.483 3.231 20 0 EGADMP Cc1cc(CO)cc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)[nH+]1 ZINC000663529352 461690376 /nfs/dbraw/zinc/69/03/76/461690376.db2.gz AKBYQTQFULQJII-UHFFFAOYSA-N 2 1 339.483 3.231 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@@H]1[NH3+] ZINC000647497794 461735907 /nfs/dbraw/zinc/73/59/07/461735907.db2.gz VYEOYZKZTYYJGK-ICSRJNTNSA-N 2 1 325.456 3.220 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3CCCC[NH2+]3)[C@@H]3CCC[C@H]32)cc1 ZINC000643502712 461749083 /nfs/dbraw/zinc/74/90/83/461749083.db2.gz OPIMZHDWYDVNOL-XSDIEEQYSA-N 2 1 327.516 3.161 20 0 EGADMP CCc1nn(C)cc1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000647532577 461750287 /nfs/dbraw/zinc/75/02/87/461750287.db2.gz IGJKNQSODIGHDL-WIYYLYMNSA-N 2 1 340.515 3.155 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(-c2cc3ccccc3o2)n1 ZINC000647538732 461752146 /nfs/dbraw/zinc/75/21/46/461752146.db2.gz FKOOTLZCNLQUJN-FQEVSTJZSA-N 2 1 336.439 3.019 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(-c2cc3ccccc3o2)n1 ZINC000647538732 461752153 /nfs/dbraw/zinc/75/21/53/461752153.db2.gz FKOOTLZCNLQUJN-FQEVSTJZSA-N 2 1 336.439 3.019 20 0 EGADMP c1nc([C@@H]2CCCO2)sc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543215 461756321 /nfs/dbraw/zinc/75/63/21/461756321.db2.gz JMJSTTVRWHPOCY-VYDXJSESSA-N 2 1 335.517 3.206 20 0 EGADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543153 461756400 /nfs/dbraw/zinc/75/64/00/461756400.db2.gz IHKCTVWXYUQWDN-DLBZAZTESA-N 2 1 325.456 3.152 20 0 EGADMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000647544086 461759806 /nfs/dbraw/zinc/75/98/06/461759806.db2.gz WOASNDDQJNADEN-OALUTQOASA-N 2 1 338.499 3.299 20 0 EGADMP C[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643549066 461760616 /nfs/dbraw/zinc/76/06/16/461760616.db2.gz ZSLWGAUDZXKPDQ-YSIASYRMSA-N 2 1 327.516 3.161 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643549066 461760620 /nfs/dbraw/zinc/76/06/20/461760620.db2.gz ZSLWGAUDZXKPDQ-YSIASYRMSA-N 3 1 327.516 3.161 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643549066 461760624 /nfs/dbraw/zinc/76/06/24/461760624.db2.gz ZSLWGAUDZXKPDQ-YSIASYRMSA-N 3 1 327.516 3.161 20 0 EGADMP COc1ccc(-c2nc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])cs2)cc1 ZINC000666743776 461786133 /nfs/dbraw/zinc/78/61/33/461786133.db2.gz WIKWUZJTHJECLZ-WMLDXEAASA-N 2 1 331.485 3.426 20 0 EGADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639180401 461787292 /nfs/dbraw/zinc/78/72/92/461787292.db2.gz WQAGZCMZNLGZMF-RHSMWYFYSA-N 2 1 331.410 3.429 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639180401 461787297 /nfs/dbraw/zinc/78/72/97/461787297.db2.gz WQAGZCMZNLGZMF-RHSMWYFYSA-N 2 1 331.410 3.429 20 0 EGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639180401 461787304 /nfs/dbraw/zinc/78/73/04/461787304.db2.gz WQAGZCMZNLGZMF-RHSMWYFYSA-N 2 1 331.410 3.429 20 0 EGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639180401 461787307 /nfs/dbraw/zinc/78/73/07/461787307.db2.gz WQAGZCMZNLGZMF-RHSMWYFYSA-N 2 1 331.410 3.429 20 0 EGADMP Cc1nccnc1CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639208810 461804867 /nfs/dbraw/zinc/80/48/67/461804867.db2.gz DQMJBYJLSCQDGJ-WIYYLYMNSA-N 2 1 336.483 3.285 20 0 EGADMP Cc1nccnc1CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639208810 461804873 /nfs/dbraw/zinc/80/48/73/461804873.db2.gz DQMJBYJLSCQDGJ-WIYYLYMNSA-N 2 1 336.483 3.285 20 0 EGADMP CNC(=O)C[C@H](C)[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000639248421 461825004 /nfs/dbraw/zinc/82/50/04/461825004.db2.gz YIUGXWLGNYQEIE-LAUBAEHRSA-N 2 1 345.531 3.039 20 0 EGADMP FC(F)CN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639272827 461837180 /nfs/dbraw/zinc/83/71/80/461837180.db2.gz OIKGQSMZMPHMRQ-AOIWGVFYSA-N 2 1 349.469 3.284 20 0 EGADMP FC(F)CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639272827 461837188 /nfs/dbraw/zinc/83/71/88/461837188.db2.gz OIKGQSMZMPHMRQ-AOIWGVFYSA-N 2 1 349.469 3.284 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000653751222 461841027 /nfs/dbraw/zinc/84/10/27/461841027.db2.gz NVYKVFXEHBDLLQ-INIZCTEOSA-N 2 1 342.270 3.157 20 0 EGADMP CC[N@@H+](CCC[NH2+]C[C@@H](OC)C1CCOCC1)C1CCCCC1 ZINC000639291899 461847132 /nfs/dbraw/zinc/84/71/32/461847132.db2.gz VNUXBQMLDYISHV-LJQANCHMSA-N 2 1 326.525 3.062 20 0 EGADMP COc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)sn1 ZINC000639358736 461882150 /nfs/dbraw/zinc/88/21/50/461882150.db2.gz ARXFZPYJLNBOIB-ZBFHGGJFSA-N 2 1 331.485 3.009 20 0 EGADMP COc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)sn1 ZINC000639358736 461882156 /nfs/dbraw/zinc/88/21/56/461882156.db2.gz ARXFZPYJLNBOIB-ZBFHGGJFSA-N 2 1 331.485 3.009 20 0 EGADMP COc1ncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000639360257 461884082 /nfs/dbraw/zinc/88/40/82/461884082.db2.gz UHLDOVNMMSPIQW-GDBMZVCRSA-N 2 1 331.485 3.009 20 0 EGADMP COc1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000639360257 461884089 /nfs/dbraw/zinc/88/40/89/461884089.db2.gz UHLDOVNMMSPIQW-GDBMZVCRSA-N 2 1 331.485 3.009 20 0 EGADMP Cc1[nH]c2nc[nH+]c(N3CCC([NH2+]Cc4ccccc4)CC3)c2c1C ZINC000663958913 461888591 /nfs/dbraw/zinc/88/85/91/461888591.db2.gz XRUUZBCGHNTYGG-UHFFFAOYSA-N 2 1 335.455 3.333 20 0 EGADMP c1cn(Cc2ccccc2)c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000656784438 461893974 /nfs/dbraw/zinc/89/39/74/461893974.db2.gz DEGMBRVNRZYHDH-HXUWFJFHSA-N 2 1 338.499 3.143 20 0 EGADMP c1cn(Cc2ccccc2)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000656786275 461897317 /nfs/dbraw/zinc/89/73/17/461897317.db2.gz RIJKVNDEBKVACZ-HXUWFJFHSA-N 2 1 338.499 3.143 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000650706502 461898918 /nfs/dbraw/zinc/89/89/18/461898918.db2.gz LYVXZKVXDKINLV-NRXGSXMXSA-N 2 1 332.419 3.290 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1OCc1ccccn1)C2 ZINC000650708881 461904277 /nfs/dbraw/zinc/90/42/77/461904277.db2.gz SBBDGVZTJDBSCF-RXVVDRJESA-N 2 1 337.467 3.221 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)[C@H]1CC[NH3+] ZINC000650711927 461905207 /nfs/dbraw/zinc/90/52/07/461905207.db2.gz JHNHNQXTGZUZFG-KXBFYZLASA-N 2 1 330.451 3.020 20 0 EGADMP COc1ccc(Br)cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998228 461906287 /nfs/dbraw/zinc/90/62/87/461906287.db2.gz IUGNIXHAVYOTMJ-AWEZNQCLSA-N 2 1 339.277 3.222 20 0 EGADMP Cc1[nH]c2ccccc2c1C1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000647959836 461907875 /nfs/dbraw/zinc/90/78/75/461907875.db2.gz PLZYKOURHNWQAF-SFHVURJKSA-N 2 1 343.515 3.357 20 0 EGADMP Cc1[nH]c2ccccc2c1C1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000647959836 461907880 /nfs/dbraw/zinc/90/78/80/461907880.db2.gz PLZYKOURHNWQAF-SFHVURJKSA-N 2 1 343.515 3.357 20 0 EGADMP Cc1[nH]c2ccccc2c1C1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000647959835 461908288 /nfs/dbraw/zinc/90/82/88/461908288.db2.gz PLZYKOURHNWQAF-GOSISDBHSA-N 2 1 343.515 3.357 20 0 EGADMP Cc1[nH]c2ccccc2c1C1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000647959835 461908292 /nfs/dbraw/zinc/90/82/92/461908292.db2.gz PLZYKOURHNWQAF-GOSISDBHSA-N 2 1 343.515 3.357 20 0 EGADMP C[N@H+]1CC[C@]2(C1)CCCN(CCOc1ccc(Cl)c(F)c1)C2 ZINC000660665691 461914140 /nfs/dbraw/zinc/91/41/40/461914140.db2.gz XHNKXXVUENYSMI-KRWDZBQOSA-N 2 1 326.843 3.276 20 0 EGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccc(Cl)c(F)c1)C2 ZINC000660665691 461914148 /nfs/dbraw/zinc/91/41/48/461914148.db2.gz XHNKXXVUENYSMI-KRWDZBQOSA-N 2 1 326.843 3.276 20 0 EGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccc(Cl)c(F)c1)C2 ZINC000660665691 461914155 /nfs/dbraw/zinc/91/41/55/461914155.db2.gz XHNKXXVUENYSMI-KRWDZBQOSA-N 2 1 326.843 3.276 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOc1ccc(Cl)c(F)c1)C2 ZINC000660665691 461914162 /nfs/dbraw/zinc/91/41/62/461914162.db2.gz XHNKXXVUENYSMI-KRWDZBQOSA-N 2 1 326.843 3.276 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOc1ccc(Cl)c(F)c1)C2 ZINC000660665691 461914167 /nfs/dbraw/zinc/91/41/67/461914167.db2.gz XHNKXXVUENYSMI-KRWDZBQOSA-N 2 1 326.843 3.276 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(Cl)c1 ZINC000650722175 461914911 /nfs/dbraw/zinc/91/49/11/461914911.db2.gz MUNZLJOGQLUINX-BMGDILEWSA-N 2 1 338.879 3.209 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977677 461918595 /nfs/dbraw/zinc/91/85/95/461918595.db2.gz FZPHYBMPRNUUSF-DLBZAZTESA-N 2 1 347.478 3.174 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)CN[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000660672204 461918818 /nfs/dbraw/zinc/91/88/18/461918818.db2.gz AEXYTQGZVGJFSC-YOEHRIQHSA-N 2 1 328.859 3.221 20 0 EGADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647976149 461918951 /nfs/dbraw/zinc/91/89/51/461918951.db2.gz KSESALXSHUJWOS-OTWHNJEPSA-N 2 1 343.515 3.342 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000647976273 461919304 /nfs/dbraw/zinc/91/93/04/461919304.db2.gz MGGUHLBZWSFGMA-YESZJQIVSA-N 2 1 347.478 3.173 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000647976271 461919606 /nfs/dbraw/zinc/91/96/06/461919606.db2.gz MGGUHLBZWSFGMA-GVDBMIGSSA-N 2 1 347.478 3.173 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@@H]1C[NH3+] ZINC000667039590 461924312 /nfs/dbraw/zinc/92/43/12/461924312.db2.gz XZJCHIONVLTWRG-PBHICJAKSA-N 2 1 332.879 3.002 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@@H]1C[NH3+] ZINC000667039590 461924315 /nfs/dbraw/zinc/92/43/15/461924315.db2.gz XZJCHIONVLTWRG-PBHICJAKSA-N 2 1 332.879 3.002 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@@H+](C)C2CC[NH+](C(C)C)CC2)o1 ZINC000648000588 461930996 /nfs/dbraw/zinc/93/09/96/461930996.db2.gz SLVSJGLXWKKORL-UHFFFAOYSA-N 2 1 330.476 3.293 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@H+](C)C2CC[NH+](C(C)C)CC2)o1 ZINC000648000588 461931003 /nfs/dbraw/zinc/93/10/03/461931003.db2.gz SLVSJGLXWKKORL-UHFFFAOYSA-N 2 1 330.476 3.293 20 0 EGADMP C[C@H]1C[C@@H](NCc2ccc(C[NH3+])cc2F)C[N@@H+]1Cc1ccccc1 ZINC000650753752 461934951 /nfs/dbraw/zinc/93/49/51/461934951.db2.gz UZXILFNVCQJJLW-HNAYVOBHSA-N 2 1 327.447 3.037 20 0 EGADMP C[C@H]1C[C@@H](NCc2ccc(C[NH3+])cc2F)C[N@H+]1Cc1ccccc1 ZINC000650753752 461934958 /nfs/dbraw/zinc/93/49/58/461934958.db2.gz UZXILFNVCQJJLW-HNAYVOBHSA-N 2 1 327.447 3.037 20 0 EGADMP COc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c2ccccc12 ZINC000648071777 461968368 /nfs/dbraw/zinc/96/83/68/461968368.db2.gz SWYCVDCZZLTKPW-UHFFFAOYSA-N 2 1 340.467 3.145 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000644652054 462023589 /nfs/dbraw/zinc/02/35/89/462023589.db2.gz LZGOEAJMVXLVMY-MSOLQXFVSA-N 2 1 340.458 3.285 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000644652054 462023596 /nfs/dbraw/zinc/02/35/96/462023596.db2.gz LZGOEAJMVXLVMY-MSOLQXFVSA-N 2 1 340.458 3.285 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000644653118 462023666 /nfs/dbraw/zinc/02/36/66/462023666.db2.gz VDUXGBSLBVDHCL-FGZHOGPDSA-N 2 1 338.495 3.263 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000644653118 462023672 /nfs/dbraw/zinc/02/36/72/462023672.db2.gz VDUXGBSLBVDHCL-FGZHOGPDSA-N 2 1 338.495 3.263 20 0 EGADMP C[C@H]1OCC[C@H]1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000639656611 462042127 /nfs/dbraw/zinc/04/21/27/462042127.db2.gz SXFWBTQDACEZBG-QUCCMNQESA-N 2 1 328.500 3.400 20 0 EGADMP OC1CC[NH+](CCC[NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657327530 462049733 /nfs/dbraw/zinc/04/97/33/462049733.db2.gz WFWPFJMUPWVRBT-UHFFFAOYSA-N 2 1 330.497 3.352 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657348116 462063251 /nfs/dbraw/zinc/06/32/51/462063251.db2.gz KXFXMQCJPISSBE-QUCCMNQESA-N 2 1 332.488 3.064 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000667681571 462211982 /nfs/dbraw/zinc/21/19/82/462211982.db2.gz MBLGIVIFHONADK-MRXNPFEDSA-N 2 1 333.501 3.229 20 0 EGADMP Cc1ncc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)n1C ZINC000667687338 462214781 /nfs/dbraw/zinc/21/47/81/462214781.db2.gz JRBJYWVEEZVFFQ-CQSZACIVSA-N 2 1 330.501 3.443 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667731260 462235675 /nfs/dbraw/zinc/23/56/75/462235675.db2.gz OPWNHNUDBWHNDE-HNAYVOBHSA-N 2 1 338.455 3.102 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000661429387 462244643 /nfs/dbraw/zinc/24/46/43/462244643.db2.gz YOLGAWCJAHRHRF-GOSISDBHSA-N 2 1 333.863 3.226 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648758089 462265223 /nfs/dbraw/zinc/26/52/23/462265223.db2.gz CDTQHBMRUUKDSU-IRXDYDNUSA-N 2 1 334.508 3.167 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648758089 462265227 /nfs/dbraw/zinc/26/52/27/462265227.db2.gz CDTQHBMRUUKDSU-IRXDYDNUSA-N 2 1 334.508 3.167 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc3ccncc3s2)CC1 ZINC000657833451 462288365 /nfs/dbraw/zinc/28/83/65/462288365.db2.gz AIVIDASUYRUZHJ-MRXNPFEDSA-N 2 1 346.544 3.365 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc3ccncc3s2)CC1 ZINC000657868158 462303027 /nfs/dbraw/zinc/30/30/27/462303027.db2.gz XITPXIGKJXPOPP-CQSZACIVSA-N 2 1 333.501 3.448 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H]3[C@@H]4CCC[C@@H]4C3(C)C)CC2)nc(C)[nH+]1 ZINC000657900506 462311919 /nfs/dbraw/zinc/31/19/19/462311919.db2.gz JSGYOECOYXIZHQ-ZIFCJYIRSA-N 2 1 328.504 3.477 20 0 EGADMP CC(C)Cc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC000657944109 462324668 /nfs/dbraw/zinc/32/46/68/462324668.db2.gz YQOSWEGWVBWZLD-ZWKOTPCHSA-N 2 1 332.532 3.423 20 0 EGADMP C[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658090370 462378721 /nfs/dbraw/zinc/37/87/21/462378721.db2.gz GROCXUZSJKLXJH-WMZOPIPTSA-N 2 1 333.520 3.150 20 0 EGADMP C[C@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658090370 462378722 /nfs/dbraw/zinc/37/87/22/462378722.db2.gz GROCXUZSJKLXJH-WMZOPIPTSA-N 2 1 333.520 3.150 20 0 EGADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)CC[NH2+]2)cc1 ZINC000665299444 462390640 /nfs/dbraw/zinc/39/06/40/462390640.db2.gz NDQZAHXDDBJEOX-LEWJYISDSA-N 3 1 327.516 3.191 20 0 EGADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000658229007 462435230 /nfs/dbraw/zinc/43/52/30/462435230.db2.gz NXCDEOYWBZPNOM-KZNAEPCWSA-N 2 1 330.520 3.443 20 0 EGADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000658229007 462435235 /nfs/dbraw/zinc/43/52/35/462435235.db2.gz NXCDEOYWBZPNOM-KZNAEPCWSA-N 2 1 330.520 3.443 20 0 EGADMP CC[N@@H+](CCC1CCN(Cc2nc(C3CC3)nn2C)CC1)CC(C)C ZINC000645845565 462443315 /nfs/dbraw/zinc/44/33/15/462443315.db2.gz SYTQMMVWOUIECQ-UHFFFAOYSA-N 2 1 347.551 3.273 20 0 EGADMP CC[N@@H+](CCCNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)C1CCCCC1 ZINC000652228074 462479866 /nfs/dbraw/zinc/47/98/66/462479866.db2.gz VPJRZYPHGMJADS-GOSISDBHSA-N 2 1 340.556 3.046 20 0 EGADMP Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CCCC2CC[NH2+]CC2)cn1 ZINC000649412188 462502414 /nfs/dbraw/zinc/50/24/14/462502414.db2.gz SDMSMJHMTBGXKR-FQEVSTJZSA-N 2 1 344.478 3.360 20 0 EGADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000649413602 462503545 /nfs/dbraw/zinc/50/35/45/462503545.db2.gz PLFZVJYNWCLTRB-SJORKVTESA-N 2 1 326.488 3.406 20 0 EGADMP CCC1([NH+]2CCCC2)CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000640890011 462529260 /nfs/dbraw/zinc/52/92/60/462529260.db2.gz HUQWJGFENATPAQ-SFHVURJKSA-N 2 1 335.536 3.118 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2OCCCOC)[C@H](C)C1 ZINC000167235381 527801786 /nfs/dbraw/zinc/80/17/86/527801786.db2.gz FBHUFZCVAKWSES-IEBWSBKVSA-N 2 1 334.504 3.230 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2OCCCOC)[C@H](C)C1 ZINC000167235381 527801794 /nfs/dbraw/zinc/80/17/94/527801794.db2.gz FBHUFZCVAKWSES-IEBWSBKVSA-N 2 1 334.504 3.230 20 0 EGADMP CC1(C)[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H]2CCCO[C@@H]21 ZINC000181681830 527827318 /nfs/dbraw/zinc/82/73/18/527827318.db2.gz GGFRYUYCONUYQQ-WOZUAGRISA-N 2 1 342.527 3.344 20 0 EGADMP CC[N@@H+](Cc1c(C)nn(C)c1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174485932 528756682 /nfs/dbraw/zinc/75/66/82/528756682.db2.gz WAODEJUEXAWBBJ-FQEVSTJZSA-N 2 1 340.515 3.381 20 0 EGADMP CC[N@H+](Cc1c(C)nn(C)c1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174485932 528756686 /nfs/dbraw/zinc/75/66/86/528756686.db2.gz WAODEJUEXAWBBJ-FQEVSTJZSA-N 2 1 340.515 3.381 20 0 EGADMP CC[NH+](Cc1c(C)nn(C)c1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174485932 528756690 /nfs/dbraw/zinc/75/66/90/528756690.db2.gz WAODEJUEXAWBBJ-FQEVSTJZSA-N 2 1 340.515 3.381 20 0 EGADMP CC[NH+](Cc1c(C)nn(C)c1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174485932 528756692 /nfs/dbraw/zinc/75/66/92/528756692.db2.gz WAODEJUEXAWBBJ-FQEVSTJZSA-N 2 1 340.515 3.381 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000154552417 529143510 /nfs/dbraw/zinc/14/35/10/529143510.db2.gz KLNLLWBJDNIAOL-QFIPXVFZSA-N 2 1 343.559 3.323 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000154453549 529143775 /nfs/dbraw/zinc/14/37/75/529143775.db2.gz SOFKFWLUDQTITN-OAQYLSRUSA-N 2 1 329.532 3.015 20 0 EGADMP CC1(C)C[C@@H](NC2CC[NH+](C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000090168469 546654625 /nfs/dbraw/zinc/65/46/25/546654625.db2.gz BZAWARHCEMYPLA-LJQANCHMSA-N 2 1 327.516 3.256 20 0 EGADMP CC1(C)C[C@H](NC2CC[NH+](C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000090168467 546654661 /nfs/dbraw/zinc/65/46/61/546654661.db2.gz BZAWARHCEMYPLA-IBGZPJMESA-N 2 1 327.516 3.256 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(N(C)C)nc2)C1 ZINC000120635138 546717001 /nfs/dbraw/zinc/71/70/01/546717001.db2.gz TXGGASWUGNDGNW-PKOBYXMFSA-N 2 1 330.520 3.234 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC[NH+](C)CC1 ZINC000126904138 546763190 /nfs/dbraw/zinc/76/31/90/546763190.db2.gz GXSZBARNZJRSAL-IRXDYDNUSA-N 3 1 335.561 3.280 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC[NH+](C)CC1 ZINC000126904138 546763195 /nfs/dbraw/zinc/76/31/95/546763195.db2.gz GXSZBARNZJRSAL-IRXDYDNUSA-N 3 1 335.561 3.280 20 0 EGADMP CCOC[C@@H]1CCC[N@@H+](CC[C@@H](C)[NH+]2CCC[C@H](COCC)C2)C1 ZINC000153494906 546880552 /nfs/dbraw/zinc/88/05/52/546880552.db2.gz SFHCCKPRXNUXSU-AQNXPRMDSA-N 2 1 340.552 3.262 20 0 EGADMP CCOC[C@@H]1CCC[NH+](CC[C@@H](C)[N@@H+]2CCC[C@H](COCC)C2)C1 ZINC000153494906 546880555 /nfs/dbraw/zinc/88/05/55/546880555.db2.gz SFHCCKPRXNUXSU-AQNXPRMDSA-N 2 1 340.552 3.262 20 0 EGADMP CCOC[C@@H]1CCC[NH+](CC[C@@H](C)[N@H+]2CCC[C@H](COCC)C2)C1 ZINC000153494906 546880560 /nfs/dbraw/zinc/88/05/60/546880560.db2.gz SFHCCKPRXNUXSU-AQNXPRMDSA-N 2 1 340.552 3.262 20 0 EGADMP CC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000166068276 546987019 /nfs/dbraw/zinc/98/70/19/546987019.db2.gz KCPHHZIOAYEMSC-NJDAHSKKSA-N 2 1 327.516 3.040 20 0 EGADMP CC[C@H](CN[C@@H]1CC[NH+]2CCC[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000166068276 546987021 /nfs/dbraw/zinc/98/70/21/546987021.db2.gz KCPHHZIOAYEMSC-NJDAHSKKSA-N 2 1 327.516 3.040 20 0 EGADMP CC[C@H](CN[C@@H]1CC[NH+]2CCC[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000166068276 546987024 /nfs/dbraw/zinc/98/70/24/546987024.db2.gz KCPHHZIOAYEMSC-NJDAHSKKSA-N 2 1 327.516 3.040 20 0 EGADMP CCOc1cc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC ZINC000166647600 546990455 /nfs/dbraw/zinc/99/04/55/546990455.db2.gz YIFRCOMSAITQOM-ZWKOTPCHSA-N 2 1 332.488 3.243 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)CC2 ZINC000280007461 547369111 /nfs/dbraw/zinc/36/91/11/547369111.db2.gz GLYGDTZBQYBBLY-DYVFJYSZSA-N 2 1 329.444 3.122 20 0 EGADMP Clc1cnc(NCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000339072746 547567898 /nfs/dbraw/zinc/56/78/98/547567898.db2.gz YUPJWLIOPZSBIG-STQMWFEESA-N 2 1 329.275 3.017 20 0 EGADMP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCOCC1 ZINC000339075618 547568780 /nfs/dbraw/zinc/56/87/80/547568780.db2.gz QOWCPWLPAZFRQM-OALUTQOASA-N 2 1 328.500 3.260 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000339234350 547571608 /nfs/dbraw/zinc/57/16/08/547571608.db2.gz PTBJZEDFUDABSY-SFHVURJKSA-N 2 1 343.515 3.163 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CC[NH+]2CCCC[C@@H]2C)c1 ZINC000339259417 547572601 /nfs/dbraw/zinc/57/26/01/547572601.db2.gz OHDGLUOPUDAWOJ-KRWDZBQOSA-N 2 1 331.504 3.019 20 0 EGADMP CC[NH+](C)Cc1cccc(CNC(=O)CC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000339259417 547572605 /nfs/dbraw/zinc/57/26/05/547572605.db2.gz OHDGLUOPUDAWOJ-KRWDZBQOSA-N 2 1 331.504 3.019 20 0 EGADMP CC[NH+](C)Cc1cccc(CNC(=O)CC[N@H+]2CCCC[C@@H]2C)c1 ZINC000339259417 547572607 /nfs/dbraw/zinc/57/26/07/547572607.db2.gz OHDGLUOPUDAWOJ-KRWDZBQOSA-N 2 1 331.504 3.019 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CC[NH+]2CCCC[C@H]2C)c1 ZINC000339259421 547572861 /nfs/dbraw/zinc/57/28/61/547572861.db2.gz OHDGLUOPUDAWOJ-QGZVFWFLSA-N 2 1 331.504 3.019 20 0 EGADMP CC[NH+](C)Cc1cccc(CNC(=O)CC[N@@H+]2CCCC[C@H]2C)c1 ZINC000339259421 547572868 /nfs/dbraw/zinc/57/28/68/547572868.db2.gz OHDGLUOPUDAWOJ-QGZVFWFLSA-N 2 1 331.504 3.019 20 0 EGADMP CC[NH+](C)Cc1cccc(CNC(=O)CC[N@H+]2CCCC[C@H]2C)c1 ZINC000339259421 547572874 /nfs/dbraw/zinc/57/28/74/547572874.db2.gz OHDGLUOPUDAWOJ-QGZVFWFLSA-N 2 1 331.504 3.019 20 0 EGADMP C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000390591081 547829223 /nfs/dbraw/zinc/82/92/23/547829223.db2.gz PGPNDNKTDAVXSJ-AYWYSENESA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000390591081 547829225 /nfs/dbraw/zinc/82/92/25/547829225.db2.gz PGPNDNKTDAVXSJ-AYWYSENESA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000414294728 547855070 /nfs/dbraw/zinc/85/50/70/547855070.db2.gz DUYIDJVXMMIAIG-HPBDAGMYSA-N 2 1 338.442 3.178 20 0 EGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000414294728 547855073 /nfs/dbraw/zinc/85/50/73/547855073.db2.gz DUYIDJVXMMIAIG-HPBDAGMYSA-N 2 1 338.442 3.178 20 0 EGADMP CC[C@]1(C)COCC[NH+]1CCCCC[N@@H+]1CCOC[C@@]1(C)CC ZINC000535568238 548054313 /nfs/dbraw/zinc/05/43/13/548054313.db2.gz ZHYQKJSPJJTDHB-RTBURBONSA-N 2 1 326.525 3.159 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3cn(C)cn3)cc2)C1 ZINC000673600140 548580369 /nfs/dbraw/zinc/58/03/69/548580369.db2.gz BYOJMASIQDUOKC-CALCHBBNSA-N 2 1 326.488 3.188 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cn(C)cn3)cc2)C1 ZINC000673600140 548580374 /nfs/dbraw/zinc/58/03/74/548580374.db2.gz BYOJMASIQDUOKC-CALCHBBNSA-N 2 1 326.488 3.188 20 0 EGADMP c1ccc2c(c1)CSC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675880831 548995894 /nfs/dbraw/zinc/99/58/94/548995894.db2.gz HNTOKIHVVGXNNB-IEBWSBKVSA-N 2 1 332.513 3.208 20 0 EGADMP C[C@H]([NH2+]Cc1cnnn1-c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000676462058 549091322 /nfs/dbraw/zinc/09/13/22/549091322.db2.gz ZQCUIJZCHROKRU-IRXDYDNUSA-N 2 1 339.487 3.010 20 0 EGADMP C[C@H]([NH2+]Cc1cnnn1-c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000676462058 549091327 /nfs/dbraw/zinc/09/13/27/549091327.db2.gz ZQCUIJZCHROKRU-IRXDYDNUSA-N 2 1 339.487 3.010 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2cccc(OC)c2)C[C@@H]1C ZINC000678276403 549456070 /nfs/dbraw/zinc/45/60/70/549456070.db2.gz HPZXPOUDKCSVFI-YJBOKZPZSA-N 2 1 342.487 3.390 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2cccc(OC)c2)C[C@@H]1C ZINC000678276403 549456073 /nfs/dbraw/zinc/45/60/73/549456073.db2.gz HPZXPOUDKCSVFI-YJBOKZPZSA-N 2 1 342.487 3.390 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2cccc(OC)c2)C[C@@H]1C ZINC000678276403 549456076 /nfs/dbraw/zinc/45/60/76/549456076.db2.gz HPZXPOUDKCSVFI-YJBOKZPZSA-N 2 1 342.487 3.390 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2cccc(OC)c2)C[C@@H]1C ZINC000678276403 549456079 /nfs/dbraw/zinc/45/60/79/549456079.db2.gz HPZXPOUDKCSVFI-YJBOKZPZSA-N 2 1 342.487 3.390 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000678276867 549456124 /nfs/dbraw/zinc/45/61/24/549456124.db2.gz ACTSAFCDGSGNCB-UHFFFAOYSA-N 2 1 328.378 3.321 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000678276867 549456127 /nfs/dbraw/zinc/45/61/27/549456127.db2.gz ACTSAFCDGSGNCB-UHFFFAOYSA-N 2 1 328.378 3.321 20 0 EGADMP CC(C)CO[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678336933 549471973 /nfs/dbraw/zinc/47/19/73/549471973.db2.gz NTJAQONJYJPJSM-NRFANRHFSA-N 2 1 346.515 3.408 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000678765902 549556136 /nfs/dbraw/zinc/55/61/36/549556136.db2.gz IQQLDSNGJRPBGX-WIYYLYMNSA-N 2 1 329.532 3.317 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000681758118 550033599 /nfs/dbraw/zinc/03/35/99/550033599.db2.gz BWIGPLUYKJFZAR-HXUWFJFHSA-N 2 1 332.488 3.018 20 0 EGADMP C[C@@H]1CCSCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000683001928 550176896 /nfs/dbraw/zinc/17/68/96/550176896.db2.gz ZSJXGVMFMSSICR-QGZVFWFLSA-N 2 1 334.529 3.489 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000683358841 550221624 /nfs/dbraw/zinc/22/16/24/550221624.db2.gz BFJOZAVUDLUMPD-FQEVSTJZSA-N 3 1 345.531 3.077 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000683358841 550221626 /nfs/dbraw/zinc/22/16/26/550221626.db2.gz BFJOZAVUDLUMPD-FQEVSTJZSA-N 3 1 345.531 3.077 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccnn1C ZINC000683692206 550254410 /nfs/dbraw/zinc/25/44/10/550254410.db2.gz MZXMYZYJBAEHRW-FRYIKTPZSA-N 2 1 338.499 3.371 20 0 EGADMP CSc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000685848004 550447689 /nfs/dbraw/zinc/44/76/89/550447689.db2.gz LNCLHQQTGYREFD-OAHLLOKOSA-N 2 1 339.574 3.070 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000732136798 575239179 /nfs/dbraw/zinc/23/91/79/575239179.db2.gz WQXCYTAXDMJCTQ-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP Cc1noc([C@@H](C)Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC000738429465 576324927 /nfs/dbraw/zinc/32/49/27/576324927.db2.gz WIFYTABDBNNROH-CQSZACIVSA-N 2 1 343.475 3.329 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3cc(OC)ccc23)C[C@@H]1C ZINC000740886103 576633659 /nfs/dbraw/zinc/63/36/59/576633659.db2.gz GNFHJFLPOYDVNQ-GOEBONIOSA-N 2 1 344.455 3.106 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3cc(OC)ccc23)C[C@@H]1C ZINC000740886103 576633661 /nfs/dbraw/zinc/63/36/61/576633661.db2.gz GNFHJFLPOYDVNQ-GOEBONIOSA-N 2 1 344.455 3.106 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)oc3cc(OC)ccc23)C[C@@H]1C ZINC000740886103 576633663 /nfs/dbraw/zinc/63/36/63/576633663.db2.gz GNFHJFLPOYDVNQ-GOEBONIOSA-N 2 1 344.455 3.106 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)oc3cc(OC)ccc23)C[C@@H]1C ZINC000740886103 576633666 /nfs/dbraw/zinc/63/36/66/576633666.db2.gz GNFHJFLPOYDVNQ-GOEBONIOSA-N 2 1 344.455 3.106 20 0 EGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2CCCCCCC2)CC1 ZINC000741551128 576700181 /nfs/dbraw/zinc/70/01/81/576700181.db2.gz VQSFMDZUIBSNSQ-UHFFFAOYSA-N 2 1 330.476 3.132 20 0 EGADMP C[C@@H]1CCC[N@@H+]1CC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000742387349 576777686 /nfs/dbraw/zinc/77/76/86/576777686.db2.gz RXUDSMBDOCXMNY-MRXNPFEDSA-N 2 1 339.524 3.098 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000742387349 576777689 /nfs/dbraw/zinc/77/76/89/576777689.db2.gz RXUDSMBDOCXMNY-MRXNPFEDSA-N 2 1 339.524 3.098 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000742794232 576795579 /nfs/dbraw/zinc/79/55/79/576795579.db2.gz VIDPMCYMVINIIM-FQEVSTJZSA-N 2 1 345.531 3.231 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000742794232 576795580 /nfs/dbraw/zinc/79/55/80/576795580.db2.gz VIDPMCYMVINIIM-FQEVSTJZSA-N 2 1 345.531 3.231 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000742794232 576795581 /nfs/dbraw/zinc/79/55/81/576795581.db2.gz VIDPMCYMVINIIM-FQEVSTJZSA-N 2 1 345.531 3.231 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)c2ccc(C)cc2)cc1F ZINC000743265093 576804794 /nfs/dbraw/zinc/80/47/94/576804794.db2.gz ZMJLOVJUHXAELZ-HXUWFJFHSA-N 2 1 339.414 3.451 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](CN2C(=O)[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC000743366673 576807081 /nfs/dbraw/zinc/80/70/81/576807081.db2.gz ZLYCTKISWRIJGA-FXAWDEMLSA-N 2 1 343.515 3.216 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C(=O)[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC000743366673 576807082 /nfs/dbraw/zinc/80/70/82/576807082.db2.gz ZLYCTKISWRIJGA-FXAWDEMLSA-N 2 1 343.515 3.216 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc(F)c3)cc2)CC1 ZINC000061070142 1291959343 /nfs/dbraw/zinc/95/93/43/1291959343.db2.gz KNMOOJWVCWQAKO-UHFFFAOYSA-N 2 1 341.474 3.253 20 0 EGADMP CC[NH+](CC)C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000068448122 1292202439 /nfs/dbraw/zinc/20/24/39/1292202439.db2.gz NGUHXRKIXXJQDJ-IBGZPJMESA-N 2 1 331.504 3.012 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000069160459 1292234109 /nfs/dbraw/zinc/23/41/09/1292234109.db2.gz ZJVYCRHARLUYKX-AWEZNQCLSA-N 2 1 328.403 3.118 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000069160450 1292234730 /nfs/dbraw/zinc/23/47/30/1292234730.db2.gz FJJDRBMSAHUYED-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000069160450 1292234737 /nfs/dbraw/zinc/23/47/37/1292234737.db2.gz FJJDRBMSAHUYED-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000075780962 1292411044 /nfs/dbraw/zinc/41/10/44/1292411044.db2.gz KWVBMPIJWLPCLZ-LJQANCHMSA-N 2 1 338.499 3.122 20 0 EGADMP CC(C)c1[nH+]ccn1CCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000828965998 1292524307 /nfs/dbraw/zinc/52/43/07/1292524307.db2.gz UGKNTZHLPLGLSU-QGZVFWFLSA-N 2 1 334.508 3.201 20 0 EGADMP CCOC(=O)N1CCC([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000089158002 1292758461 /nfs/dbraw/zinc/75/84/61/1292758461.db2.gz TXMRFPOMJYKCKO-KRWDZBQOSA-N 2 1 347.503 3.108 20 0 EGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOc1ccc(Br)cc1 ZINC000843361602 1321505906 /nfs/dbraw/zinc/50/59/06/1321505906.db2.gz HRUFTAIIGANHSH-GOOCMWNKSA-N 2 1 339.277 3.172 20 0 EGADMP CCc1nn(C)cc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000092411896 1292867486 /nfs/dbraw/zinc/86/74/86/1292867486.db2.gz WZKNQVNIRQIOEV-IAGOWNOFSA-N 2 1 340.515 3.229 20 0 EGADMP CC(=O)OC1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000093454006 1292920243 /nfs/dbraw/zinc/92/02/43/1292920243.db2.gz YOZKUVIXTLMJQV-UHFFFAOYSA-N 2 1 332.488 3.172 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)C1 ZINC000096628034 1292950967 /nfs/dbraw/zinc/95/09/67/1292950967.db2.gz FEHIXPNSWHWMKB-OAHLLOKOSA-N 2 1 337.895 3.461 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)C1 ZINC000096628034 1292950973 /nfs/dbraw/zinc/95/09/73/1292950973.db2.gz FEHIXPNSWHWMKB-OAHLLOKOSA-N 2 1 337.895 3.461 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000108428296 1293079575 /nfs/dbraw/zinc/07/95/75/1293079575.db2.gz SZVSAQNLTIDEIR-LJQANCHMSA-N 2 1 325.456 3.092 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834802952 1293151460 /nfs/dbraw/zinc/15/14/60/1293151460.db2.gz HIUQLNUCYYRZKF-XHSDSOJGSA-N 2 1 327.513 3.093 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834802952 1293151465 /nfs/dbraw/zinc/15/14/65/1293151465.db2.gz HIUQLNUCYYRZKF-XHSDSOJGSA-N 2 1 327.513 3.093 20 0 EGADMP CCOc1cccc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)c1OC(F)F ZINC000120786833 1293338798 /nfs/dbraw/zinc/33/87/98/1293338798.db2.gz OARWYTZFEHXQOF-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP CCOc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)c1OC(F)F ZINC000120786833 1293338806 /nfs/dbraw/zinc/33/88/06/1293338806.db2.gz OARWYTZFEHXQOF-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP Cc1nc(C)c(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000123616887 1293449896 /nfs/dbraw/zinc/44/98/96/1293449896.db2.gz LKPXCKUDPFZSEI-SFHVURJKSA-N 2 1 329.513 3.414 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C2OCCO2)CC1 ZINC000130097766 1293644528 /nfs/dbraw/zinc/64/45/28/1293644528.db2.gz REHXYQXNVARQKI-UHFFFAOYSA-N 2 1 346.515 3.230 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000153994460 1294037026 /nfs/dbraw/zinc/03/70/26/1294037026.db2.gz LBJLOUVWMXDANB-UHFFFAOYSA-N 2 1 346.519 3.086 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc4cnccn34)cc2)C1 ZINC000156609022 1294150993 /nfs/dbraw/zinc/15/09/93/1294150993.db2.gz FZUMEEHXGWCKNT-KRWDZBQOSA-N 2 1 349.482 3.251 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000157981100 1294193538 /nfs/dbraw/zinc/19/35/38/1294193538.db2.gz KXCSKPMTQTXGPW-SFHVURJKSA-N 2 1 348.531 3.495 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCC1 ZINC000158718261 1294212980 /nfs/dbraw/zinc/21/29/80/1294212980.db2.gz JKQDVVHMARJRPK-QGZVFWFLSA-N 2 1 349.906 3.077 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccnc(Cl)c1 ZINC000162861305 1294324268 /nfs/dbraw/zinc/32/42/68/1294324268.db2.gz GIUUEWMOXHIIEP-ZNMIVQPWSA-N 2 1 325.884 3.275 20 0 EGADMP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1O ZINC000187187655 1295374002 /nfs/dbraw/zinc/37/40/02/1295374002.db2.gz UIVCZWKBHHHJQK-OLZOCXBDSA-N 2 1 341.293 3.456 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)cc1 ZINC000870865662 1296121140 /nfs/dbraw/zinc/12/11/40/1296121140.db2.gz BOZOZIDAWBUFBP-AHRSYUTCSA-N 2 1 343.515 3.195 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000226336563 1296138654 /nfs/dbraw/zinc/13/86/54/1296138654.db2.gz NLMXJHULBDMERA-JKSUJKDBSA-N 2 1 327.513 3.142 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000870974630 1296162917 /nfs/dbraw/zinc/16/29/17/1296162917.db2.gz MGXYLPOEEOHBMZ-FNLKRUPLSA-N 2 1 343.515 3.179 20 0 EGADMP COCC[NH+]1CCC([NH2+]Cc2ccc(OC)c3ccccc23)CC1 ZINC000237122528 1296220622 /nfs/dbraw/zinc/22/06/22/1296220622.db2.gz RXNKSYKGXQAQOY-UHFFFAOYSA-N 2 1 328.456 3.049 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cnn(C)c3)cc2)C1 ZINC000237688358 1296259354 /nfs/dbraw/zinc/25/93/54/1296259354.db2.gz SAAACAHHOULGOQ-CALCHBBNSA-N 2 1 326.488 3.188 20 0 EGADMP [NH3+]C1(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CCCCC1 ZINC000237884072 1296270034 /nfs/dbraw/zinc/27/00/34/1296270034.db2.gz RGGNHRCSTXAHFZ-UHFFFAOYSA-N 2 1 349.906 3.036 20 0 EGADMP [NH3+]C1(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CCCCC1 ZINC000237884072 1296270041 /nfs/dbraw/zinc/27/00/41/1296270041.db2.gz RGGNHRCSTXAHFZ-UHFFFAOYSA-N 2 1 349.906 3.036 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000248163956 1296406898 /nfs/dbraw/zinc/40/68/98/1296406898.db2.gz NIPFBUSOFKGTBW-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)s2)cc1 ZINC000262075732 1296617095 /nfs/dbraw/zinc/61/70/95/1296617095.db2.gz DFKLPUBPZBKSEY-SFHVURJKSA-N 2 1 341.524 3.203 20 0 EGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000305344551 1297011284 /nfs/dbraw/zinc/01/12/84/1297011284.db2.gz XPHHNACDZGXEKH-SJORKVTESA-N 2 1 341.540 3.484 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000310045491 1297083727 /nfs/dbraw/zinc/08/37/27/1297083727.db2.gz ZEWYUGNIPLLWDQ-IRXDYDNUSA-N 2 1 341.540 3.390 20 0 EGADMP CC(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000310191951 1297091010 /nfs/dbraw/zinc/09/10/10/1297091010.db2.gz QGEUZGOWLNEUHI-GHTZIAJQSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000310191951 1297091016 /nfs/dbraw/zinc/09/10/16/1297091016.db2.gz QGEUZGOWLNEUHI-GHTZIAJQSA-N 2 1 329.532 3.359 20 0 EGADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000310944440 1297103703 /nfs/dbraw/zinc/10/37/03/1297103703.db2.gz XDKWGGNIZBRWQG-GHTZIAJQSA-N 2 1 342.458 3.361 20 0 EGADMP O[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873206207 1297352734 /nfs/dbraw/zinc/35/27/34/1297352734.db2.gz XGIKVKGSNFVYBP-AZUAARDMSA-N 2 1 342.508 3.482 20 0 EGADMP O[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873206210 1297353215 /nfs/dbraw/zinc/35/32/15/1297353215.db2.gz XGIKVKGSNFVYBP-UYAOXDASSA-N 2 1 342.508 3.482 20 0 EGADMP Cc1nn2c(C[N@@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)c(C(C)C)nc2s1 ZINC000873223838 1297363140 /nfs/dbraw/zinc/36/31/40/1297363140.db2.gz SZFBPVJIMLAFHP-SFHVURJKSA-N 2 1 349.548 3.420 20 0 EGADMP Cc1nn2c(C[N@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)c(C(C)C)nc2s1 ZINC000873223838 1297363156 /nfs/dbraw/zinc/36/31/56/1297363156.db2.gz SZFBPVJIMLAFHP-SFHVURJKSA-N 2 1 349.548 3.420 20 0 EGADMP CN(CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000378897970 1297525677 /nfs/dbraw/zinc/52/56/77/1297525677.db2.gz AZSDUIIYOZZLIZ-UHFFFAOYSA-N 2 1 347.503 3.108 20 0 EGADMP C[C@@H](CC[NH2+]C[C@@H](O)c1c(F)cccc1F)[N@H+](C)Cc1ccccc1 ZINC000379630900 1297536285 /nfs/dbraw/zinc/53/62/85/1297536285.db2.gz LKZGDFAIEQQQJS-HNAYVOBHSA-N 2 1 348.437 3.498 20 0 EGADMP C[C@@H](CC[NH2+]C[C@@H](O)c1c(F)cccc1F)[N@@H+](C)Cc1ccccc1 ZINC000379630900 1297536288 /nfs/dbraw/zinc/53/62/88/1297536288.db2.gz LKZGDFAIEQQQJS-HNAYVOBHSA-N 2 1 348.437 3.498 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379655445 1297536365 /nfs/dbraw/zinc/53/63/65/1297536365.db2.gz LUQMEWVRGHPTAS-WTNAPCKOSA-N 2 1 349.478 3.234 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379655445 1297536368 /nfs/dbraw/zinc/53/63/68/1297536368.db2.gz LUQMEWVRGHPTAS-WTNAPCKOSA-N 2 1 349.478 3.234 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000391872006 1297648462 /nfs/dbraw/zinc/64/84/62/1297648462.db2.gz UVIFOYUFBVJKTR-DJIMGWMZSA-N 2 1 342.405 3.155 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000391872006 1297648472 /nfs/dbraw/zinc/64/84/72/1297648472.db2.gz UVIFOYUFBVJKTR-DJIMGWMZSA-N 2 1 342.405 3.155 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000391872006 1297648477 /nfs/dbraw/zinc/64/84/77/1297648477.db2.gz UVIFOYUFBVJKTR-DJIMGWMZSA-N 2 1 342.405 3.155 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3C)cc1)C(C)C ZINC000874840610 1298120965 /nfs/dbraw/zinc/12/09/65/1298120965.db2.gz PQCGRKAOJKYRRC-WOJBJXKFSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1)C(C)C ZINC000874840610 1298120970 /nfs/dbraw/zinc/12/09/70/1298120970.db2.gz PQCGRKAOJKYRRC-WOJBJXKFSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1)C(C)C ZINC000874840610 1298120973 /nfs/dbraw/zinc/12/09/73/1298120973.db2.gz PQCGRKAOJKYRRC-WOJBJXKFSA-N 2 1 343.515 3.226 20 0 EGADMP C[N@@H+](CCCCCC[NH3+])CCOc1ccc(Br)cc1 ZINC000710837977 1298257853 /nfs/dbraw/zinc/25/78/53/1298257853.db2.gz ZGZHUOSLMOQNBW-UHFFFAOYSA-N 2 1 329.282 3.279 20 0 EGADMP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000721248573 1298332447 /nfs/dbraw/zinc/33/24/47/1298332447.db2.gz KLUHEUHXVHBUOK-NJYVYQBISA-N 2 1 346.515 3.215 20 0 EGADMP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000721248573 1298332457 /nfs/dbraw/zinc/33/24/57/1298332457.db2.gz KLUHEUHXVHBUOK-NJYVYQBISA-N 2 1 346.515 3.215 20 0 EGADMP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000721248570 1298332577 /nfs/dbraw/zinc/33/25/77/1298332577.db2.gz KLUHEUHXVHBUOK-NJDAHSKKSA-N 2 1 346.515 3.215 20 0 EGADMP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000721248570 1298332590 /nfs/dbraw/zinc/33/25/90/1298332590.db2.gz KLUHEUHXVHBUOK-NJDAHSKKSA-N 2 1 346.515 3.215 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+][C@H](C3CC3)[C@@H]3CCCOC3)CC2)cc1 ZINC000723947657 1298343280 /nfs/dbraw/zinc/34/32/80/1298343280.db2.gz MAHMGKOTSZNDBY-TZIWHRDSSA-N 2 1 328.500 3.446 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000724068610 1298347440 /nfs/dbraw/zinc/34/74/40/1298347440.db2.gz MHAATZLMZMEYJY-GVDBMIGSSA-N 2 1 339.524 3.001 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cn2c3ccccc3oc2=S)C1 ZINC000747469408 1298788159 /nfs/dbraw/zinc/78/81/59/1298788159.db2.gz GEUSGCZQBCHMBG-HNNXBMFYSA-N 2 1 349.500 3.354 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cn2c3ccccc3oc2=S)C1 ZINC000747469408 1298788164 /nfs/dbraw/zinc/78/81/64/1298788164.db2.gz GEUSGCZQBCHMBG-HNNXBMFYSA-N 2 1 349.500 3.354 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccnc2Br)CC1 ZINC000876624451 1298880536 /nfs/dbraw/zinc/88/05/36/1298880536.db2.gz FGVMXPYJJYOYSS-UHFFFAOYSA-N 2 1 340.309 3.396 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccnc2Br)CC1 ZINC000876624451 1298880543 /nfs/dbraw/zinc/88/05/43/1298880543.db2.gz FGVMXPYJJYOYSS-UHFFFAOYSA-N 2 1 340.309 3.396 20 0 EGADMP C[NH+](C)CCC1CC[NH+](Cc2cccnc2Br)CC1 ZINC000876631353 1298884337 /nfs/dbraw/zinc/88/43/37/1298884337.db2.gz IJIOWUOVOGDQEG-UHFFFAOYSA-N 2 1 326.282 3.008 20 0 EGADMP ClC1(Cl)C[C@@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000876920432 1299066308 /nfs/dbraw/zinc/06/63/08/1299066308.db2.gz RHRREVZBGBSLLL-OAHLLOKOSA-N 2 1 327.299 3.477 20 0 EGADMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000877094157 1299154496 /nfs/dbraw/zinc/15/44/96/1299154496.db2.gz HVRWAADZKWXMEE-GOSISDBHSA-N 2 1 344.499 3.258 20 0 EGADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000877137075 1299176674 /nfs/dbraw/zinc/17/66/74/1299176674.db2.gz RHERVWQXGYYBLR-HBMCJLEFSA-N 2 1 349.478 3.494 20 0 EGADMP CCCC[N@H+](C)CC1CCN(c2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000749272066 1299182547 /nfs/dbraw/zinc/18/25/47/1299182547.db2.gz PEKCJDZKPIHHNO-UHFFFAOYSA-N 2 1 331.508 3.025 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(c2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000749272066 1299182555 /nfs/dbraw/zinc/18/25/55/1299182555.db2.gz PEKCJDZKPIHHNO-UHFFFAOYSA-N 2 1 331.508 3.025 20 0 EGADMP O[C@H](C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)c1cc2ccccc2o1 ZINC000878746554 1300172074 /nfs/dbraw/zinc/17/20/74/1300172074.db2.gz CIKCUDXDPSKBKN-GOSISDBHSA-N 2 1 337.423 3.074 20 0 EGADMP C[C@H](C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1)C[NH+]1CCCC1 ZINC000756097922 1300438044 /nfs/dbraw/zinc/43/80/44/1300438044.db2.gz DAENVVBGJVQYAL-OAHLLOKOSA-N 2 1 348.491 3.250 20 0 EGADMP CN(C[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000760837638 1301348369 /nfs/dbraw/zinc/34/83/69/1301348369.db2.gz ZUUFZNWHNNEZMB-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP CN(C[C@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000760837638 1301348380 /nfs/dbraw/zinc/34/83/80/1301348380.db2.gz ZUUFZNWHNNEZMB-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP CN(C[C@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000760837638 1301348389 /nfs/dbraw/zinc/34/83/89/1301348389.db2.gz ZUUFZNWHNNEZMB-IAGOWNOFSA-N 2 1 339.524 3.050 20 0 EGADMP CN(C[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000760837636 1301348938 /nfs/dbraw/zinc/34/89/38/1301348938.db2.gz ZUUFZNWHNNEZMB-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP CN(C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000760837636 1301348948 /nfs/dbraw/zinc/34/89/48/1301348948.db2.gz ZUUFZNWHNNEZMB-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP CN(C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000760837636 1301348955 /nfs/dbraw/zinc/34/89/55/1301348955.db2.gz ZUUFZNWHNNEZMB-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2N2CCCCC2)CCCO1 ZINC000762485052 1301687712 /nfs/dbraw/zinc/68/77/12/1301687712.db2.gz YDFYQHMJVZLLOT-IBGZPJMESA-N 2 1 345.531 3.267 20 0 EGADMP COc1cc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC000762652190 1301723174 /nfs/dbraw/zinc/72/31/74/1301723174.db2.gz WQRXZSXTYLIYFQ-MSOLQXFVSA-N 2 1 334.504 3.464 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000763409888 1301897751 /nfs/dbraw/zinc/89/77/51/1301897751.db2.gz KHOGPIHNOWTOAE-RMVXJAJNSA-N 2 1 348.531 3.225 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000765322438 1302245156 /nfs/dbraw/zinc/24/51/56/1302245156.db2.gz FRQZYUGEZWZMSR-QAPCUYQASA-N 2 1 326.488 3.370 20 0 EGADMP COc1ccc(CC[C@@H](C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000765804738 1302332937 /nfs/dbraw/zinc/33/29/37/1302332937.db2.gz USPFZLZGLPXUCU-GOSISDBHSA-N 2 1 346.515 3.251 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2N(C)CC)[C@H](C)C1 ZINC000765851108 1302339967 /nfs/dbraw/zinc/33/99/67/1302339967.db2.gz YEYURVYJGKDVDQ-QUCCMNQESA-N 2 1 347.547 3.369 20 0 EGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000766332074 1302432132 /nfs/dbraw/zinc/43/21/32/1302432132.db2.gz SNSUBTLFVLOSKK-ZACQAIPSSA-N 2 1 339.524 3.142 20 0 EGADMP Cc1cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(C)o1 ZINC000767339167 1302643384 /nfs/dbraw/zinc/64/33/84/1302643384.db2.gz MBCBKVWSGCIFEM-QGZVFWFLSA-N 2 1 333.501 3.036 20 0 EGADMP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000767369467 1302653494 /nfs/dbraw/zinc/65/34/94/1302653494.db2.gz FIUFIBHVJGXFRH-IRXDYDNUSA-N 2 1 339.524 3.192 20 0 EGADMP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000767369467 1302653510 /nfs/dbraw/zinc/65/35/10/1302653510.db2.gz FIUFIBHVJGXFRH-IRXDYDNUSA-N 2 1 339.524 3.192 20 0 EGADMP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000767369467 1302653517 /nfs/dbraw/zinc/65/35/17/1302653517.db2.gz FIUFIBHVJGXFRH-IRXDYDNUSA-N 2 1 339.524 3.192 20 0 EGADMP C[NH2+][C@@H](CC(C)C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000884218333 1302774235 /nfs/dbraw/zinc/77/42/35/1302774235.db2.gz LRGDSWCDBURQEU-IHPCNDPISA-N 2 1 345.531 3.132 20 0 EGADMP COc1cccc2cc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)oc21 ZINC000770347168 1303251673 /nfs/dbraw/zinc/25/16/73/1303251673.db2.gz HDVSNXSZSCPGPE-HHXXYDBFSA-N 2 1 344.455 3.125 20 0 EGADMP COc1cccc2cc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)oc21 ZINC000770347168 1303251675 /nfs/dbraw/zinc/25/16/75/1303251675.db2.gz HDVSNXSZSCPGPE-HHXXYDBFSA-N 2 1 344.455 3.125 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000885922902 1303277809 /nfs/dbraw/zinc/27/78/09/1303277809.db2.gz LAQORHQGMCWBMF-FQEVSTJZSA-N 2 1 346.515 3.345 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CN2C[C@@H](C3CC3)CC2=O)CC1)CC1CC1 ZINC000770687349 1303306788 /nfs/dbraw/zinc/30/67/88/1303306788.db2.gz QKCBQOYJTCEQEO-FQEVSTJZSA-N 2 1 347.547 3.036 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4cccnc43)c2)CCO1 ZINC000886512975 1303482867 /nfs/dbraw/zinc/48/28/67/1303482867.db2.gz QSPYFRGQJHIBEL-UZLBHIALSA-N 2 1 337.467 3.079 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4cccnc43)c2)CCO1 ZINC000886512975 1303482870 /nfs/dbraw/zinc/48/28/70/1303482870.db2.gz QSPYFRGQJHIBEL-UZLBHIALSA-N 2 1 337.467 3.079 20 0 EGADMP Cc1[nH]c(C2CC[NH+](C[C@H]3COc4ccccc4O3)CC2)[nH+]c1C ZINC000886661162 1303543226 /nfs/dbraw/zinc/54/32/26/1303543226.db2.gz OBNZRSCRROOQMW-INIZCTEOSA-N 2 1 327.428 3.046 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)N3C[C@H](C)C[C@H](C)C3)CC2)[nH+]c1C ZINC000886670200 1303548879 /nfs/dbraw/zinc/54/88/79/1303548879.db2.gz KVTNHQNXVPMHNK-JKIFEVAISA-N 2 1 346.519 3.099 20 0 EGADMP CCC1([NH+]2CCC2)CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000886708693 1303573716 /nfs/dbraw/zinc/57/37/16/1303573716.db2.gz ARWBWRFOPUXRHM-UHFFFAOYSA-N 2 1 333.451 3.105 20 0 EGADMP C[C@@H]1C[C@@H](NCC(=O)Nc2cc(Cl)ccc2Cl)CC[N@H+]1C ZINC000772951954 1303597519 /nfs/dbraw/zinc/59/75/19/1303597519.db2.gz PUHUSYKKPYZJEB-PWSUYJOCSA-N 2 1 330.259 3.004 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000773083366 1303621508 /nfs/dbraw/zinc/62/15/08/1303621508.db2.gz GBBZDOAKPXJNRN-UHFFFAOYSA-N 2 1 334.508 3.133 20 0 EGADMP CC[C@@H]1CC(=O)N(C[NH+]2CCC(CC[N@@H+](CC)CC(C)C)CC2)C1 ZINC000773269726 1303652346 /nfs/dbraw/zinc/65/23/46/1303652346.db2.gz FITFWPIHEWODJG-GOSISDBHSA-N 2 1 337.552 3.282 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CN2C[C@@H](C3CC3)CC2=O)CC1)CC(C)C ZINC000773270499 1303652759 /nfs/dbraw/zinc/65/27/59/1303652759.db2.gz GWHVUJHVTGBZPH-FQEVSTJZSA-N 2 1 349.563 3.282 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000773416334 1303676364 /nfs/dbraw/zinc/67/63/64/1303676364.db2.gz PGGMKOWPQXPUHM-LJQANCHMSA-N 2 1 346.515 3.420 20 0 EGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000887133383 1303686011 /nfs/dbraw/zinc/68/60/11/1303686011.db2.gz ZQPDIBYPHWGTFE-OAHLLOKOSA-N 2 1 334.423 3.046 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000775011298 1303888204 /nfs/dbraw/zinc/88/82/04/1303888204.db2.gz IMSFOPMEPKGXLG-INIZCTEOSA-N 2 1 341.540 3.391 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000775011301 1303888525 /nfs/dbraw/zinc/88/85/25/1303888525.db2.gz IMSFOPMEPKGXLG-MRXNPFEDSA-N 2 1 341.540 3.391 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CC[C@@H]3SCCS[C@H]13)C2 ZINC000775364385 1303947401 /nfs/dbraw/zinc/94/74/01/1303947401.db2.gz MRSNPLWVWUEIGZ-CEXWTWQISA-N 2 1 348.581 3.404 20 0 EGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CC[C@@H]3SCCS[C@H]13)C2 ZINC000775364385 1303947407 /nfs/dbraw/zinc/94/74/07/1303947407.db2.gz MRSNPLWVWUEIGZ-CEXWTWQISA-N 2 1 348.581 3.404 20 0 EGADMP C[C@@H](NC(=O)CCCC[NH+]1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781203285 1304790647 /nfs/dbraw/zinc/79/06/47/1304790647.db2.gz DAIVEUDMTKIABK-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1C[N@@H+]([C@H]2CCc3cc(Cl)ccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000782184838 1304927244 /nfs/dbraw/zinc/92/72/44/1304927244.db2.gz GDOFKRGPJGZHGY-YSGRDPCXSA-N 2 1 347.934 3.285 20 0 EGADMP C[C@@H]1C[N@H+]([C@H]2CCc3cc(Cl)ccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000782184838 1304927245 /nfs/dbraw/zinc/92/72/45/1304927245.db2.gz GDOFKRGPJGZHGY-YSGRDPCXSA-N 2 1 347.934 3.285 20 0 EGADMP C[NH+](C)CCCC1CC[NH+](CN2C[C@@H](CC(C)(C)C)OC2=O)CC1 ZINC000785507821 1305367340 /nfs/dbraw/zinc/36/73/40/1305367340.db2.gz UOHBHLADRVVZLI-QGZVFWFLSA-N 2 1 339.524 3.255 20 0 EGADMP Cc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cnc1F ZINC000892676827 1305502137 /nfs/dbraw/zinc/50/21/37/1305502137.db2.gz PRZHUENDEQYUST-INIZCTEOSA-N 2 1 343.446 3.040 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+]CC2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000893226998 1305773757 /nfs/dbraw/zinc/77/37/57/1305773757.db2.gz VOMRONUMFCCSSW-WIYYLYMNSA-N 3 1 329.532 3.219 20 0 EGADMP Cc1cc(N2CCC([NH2+]CCc3ccc(F)c(F)c3)CC2)nc(C)[nH+]1 ZINC000893356173 1305846677 /nfs/dbraw/zinc/84/66/77/1305846677.db2.gz KFWKZNMHOLDAKM-UHFFFAOYSA-N 2 1 346.425 3.173 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000788025793 1305847516 /nfs/dbraw/zinc/84/75/16/1305847516.db2.gz UMDQQJAMCLNMRM-KRWDZBQOSA-N 2 1 342.405 3.421 20 0 EGADMP COc1ccccc1C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000788474874 1305951067 /nfs/dbraw/zinc/95/10/67/1305951067.db2.gz KTCQSEOIEJQHMT-LJQANCHMSA-N 2 1 332.488 3.018 20 0 EGADMP C[NH+]1CCC(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)CC1 ZINC000788488644 1305952711 /nfs/dbraw/zinc/95/27/11/1305952711.db2.gz RMQYERCSCBHMHO-LJQANCHMSA-N 2 1 328.456 3.157 20 0 EGADMP CN(C)c1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)ccn1 ZINC000789357761 1306147176 /nfs/dbraw/zinc/14/71/76/1306147176.db2.gz NTEOEVPAPWLIPQ-UHFFFAOYSA-N 2 1 339.487 3.060 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCC(F)F)C1 ZINC000894063077 1306198514 /nfs/dbraw/zinc/19/85/14/1306198514.db2.gz IIDXBARKMUPVNC-OAHLLOKOSA-N 2 1 326.431 3.494 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCC(F)F)C1 ZINC000894063077 1306198520 /nfs/dbraw/zinc/19/85/20/1306198520.db2.gz IIDXBARKMUPVNC-OAHLLOKOSA-N 2 1 326.431 3.494 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OCC(F)F)C1 ZINC000894063077 1306198526 /nfs/dbraw/zinc/19/85/26/1306198526.db2.gz IIDXBARKMUPVNC-OAHLLOKOSA-N 2 1 326.431 3.494 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OCC(F)F)C1 ZINC000894063077 1306198531 /nfs/dbraw/zinc/19/85/31/1306198531.db2.gz IIDXBARKMUPVNC-OAHLLOKOSA-N 2 1 326.431 3.494 20 0 EGADMP CC(C)(C)[C@H]1CCC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790364154 1306307778 /nfs/dbraw/zinc/30/77/78/1306307778.db2.gz FAZCNVVRULTQOV-OXJNMPFZSA-N 2 1 349.519 3.009 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000810244896 1317985878 /nfs/dbraw/zinc/98/58/78/1317985878.db2.gz JNDLIHVVMNKBHN-HZPDHXFCSA-N 2 1 327.513 3.096 20 0 EGADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894497489 1308923394 /nfs/dbraw/zinc/92/33/94/1308923394.db2.gz YQSAORUHCVBDCX-DGCLKSJQSA-N 2 1 333.423 3.164 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894497489 1308923401 /nfs/dbraw/zinc/92/34/01/1308923401.db2.gz YQSAORUHCVBDCX-DGCLKSJQSA-N 2 1 333.423 3.164 20 0 EGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894497489 1308923407 /nfs/dbraw/zinc/92/34/07/1308923407.db2.gz YQSAORUHCVBDCX-DGCLKSJQSA-N 2 1 333.423 3.164 20 0 EGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894497489 1308923416 /nfs/dbraw/zinc/92/34/16/1308923416.db2.gz YQSAORUHCVBDCX-DGCLKSJQSA-N 2 1 333.423 3.164 20 0 EGADMP Cc1ccc(C2=NO[C@@H](C[NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1C ZINC000895499753 1309374412 /nfs/dbraw/zinc/37/44/12/1309374412.db2.gz YVDAHXIVSCQQEQ-HXUWFJFHSA-N 2 1 341.499 3.260 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1cc(C)nn1C ZINC000793524911 1309393830 /nfs/dbraw/zinc/39/38/30/1309393830.db2.gz MGZMRJGBCQDNRY-QGZVFWFLSA-N 2 1 344.503 3.300 20 0 EGADMP Cc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793553521 1309402992 /nfs/dbraw/zinc/40/29/92/1309402992.db2.gz NIBMQHJQABAOGR-AOIWGVFYSA-N 2 1 326.488 3.290 20 0 EGADMP Cc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793553521 1309402998 /nfs/dbraw/zinc/40/29/98/1309402998.db2.gz NIBMQHJQABAOGR-AOIWGVFYSA-N 2 1 326.488 3.290 20 0 EGADMP COCCc1ncc(C[N@@H+](C)CCCC[NH+]2CCCCC2)s1 ZINC000895683689 1309464454 /nfs/dbraw/zinc/46/44/54/1309464454.db2.gz SIGFAPFZAWIZQV-UHFFFAOYSA-N 2 1 325.522 3.030 20 0 EGADMP COC(=O)/C=C/c1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)o1 ZINC000895684022 1309464507 /nfs/dbraw/zinc/46/45/07/1309464507.db2.gz ZQCJIPSYZSARCT-ZHACJKMWSA-N 2 1 334.460 3.164 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn(C)c1C1CC1 ZINC000895693872 1309469033 /nfs/dbraw/zinc/46/90/33/1309469033.db2.gz NXNKDKUUYAHJFN-UZLBHIALSA-N 2 1 338.499 3.155 20 0 EGADMP CC[NH+]1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2F)CC1 ZINC000895862641 1309568084 /nfs/dbraw/zinc/56/80/84/1309568084.db2.gz ZJCIFLMBRAPZCM-AYHJJNSGSA-N 2 1 346.494 3.005 20 0 EGADMP CCn1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c(C)n1 ZINC000896052505 1309675495 /nfs/dbraw/zinc/67/54/95/1309675495.db2.gz YPCCRQWJXAYZKO-PZJWPPBQSA-N 2 1 338.499 3.165 20 0 EGADMP CCn1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c(C)n1 ZINC000896052505 1309675502 /nfs/dbraw/zinc/67/55/02/1309675502.db2.gz YPCCRQWJXAYZKO-PZJWPPBQSA-N 2 1 338.499 3.165 20 0 EGADMP CCn1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)n1 ZINC000896052505 1309675509 /nfs/dbraw/zinc/67/55/09/1309675509.db2.gz YPCCRQWJXAYZKO-PZJWPPBQSA-N 2 1 338.499 3.165 20 0 EGADMP CCn1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(C)n1 ZINC000896052505 1309675515 /nfs/dbraw/zinc/67/55/15/1309675515.db2.gz YPCCRQWJXAYZKO-PZJWPPBQSA-N 2 1 338.499 3.165 20 0 EGADMP CN(CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C(=O)OC(C)(C)C ZINC000797964846 1310277194 /nfs/dbraw/zinc/27/71/94/1310277194.db2.gz FIXKNXOTAWMDCQ-QGZVFWFLSA-N 2 1 339.524 3.051 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnc4ccc(Cl)cn34)C2)CC1 ZINC000798956755 1310463438 /nfs/dbraw/zinc/46/34/38/1310463438.db2.gz NDHFBKGJQOXHMT-UHFFFAOYSA-N 2 1 332.879 3.296 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)cc1 ZINC000798963467 1310465674 /nfs/dbraw/zinc/46/56/74/1310465674.db2.gz CEIDFSKIRUHWBE-GOSISDBHSA-N 2 1 325.456 3.012 20 0 EGADMP C[C@H]1C[C@H](CC[NH2+]Cc2ncc(Cl)n2C)C[N@H+]1Cc1ccccc1 ZINC000799340158 1310529284 /nfs/dbraw/zinc/52/92/84/1310529284.db2.gz GUBBUJVXCHUDAV-RDJZCZTQSA-N 2 1 346.906 3.464 20 0 EGADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NC[C@H]3CC[NH+]3C(C)(C)C)c2)C1 ZINC000857303715 1328527662 /nfs/dbraw/zinc/52/76/62/1328527662.db2.gz YUEPEKKPTFRQQW-RTBURBONSA-N 2 1 343.515 3.098 20 0 EGADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)c2)C1 ZINC000857303715 1328527666 /nfs/dbraw/zinc/52/76/66/1328527666.db2.gz YUEPEKKPTFRQQW-RTBURBONSA-N 2 1 343.515 3.098 20 0 EGADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)NC[C@H]3CC[N@H+]3C(C)(C)C)c2)C1 ZINC000857303715 1328527669 /nfs/dbraw/zinc/52/76/69/1328527669.db2.gz YUEPEKKPTFRQQW-RTBURBONSA-N 2 1 343.515 3.098 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001018968024 1316989146 /nfs/dbraw/zinc/98/91/46/1316989146.db2.gz PTWUJPGMWOSBJL-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1cccc(Cl)c1 ZINC001018971759 1316990992 /nfs/dbraw/zinc/99/09/92/1316990992.db2.gz RHYUCUNDCQORAT-YOEHRIQHSA-N 2 1 349.906 3.076 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001018990786 1316995601 /nfs/dbraw/zinc/99/56/01/1316995601.db2.gz PQFDSELMXVSWOX-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900013547 1317217792 /nfs/dbraw/zinc/21/77/92/1317217792.db2.gz KPMQIYZARIRWKS-YESZJQIVSA-N 2 1 347.528 3.018 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001019820531 1317439632 /nfs/dbraw/zinc/43/96/32/1317439632.db2.gz OHMLDJIPCXJSDW-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)CC1 ZINC000957568897 1317467617 /nfs/dbraw/zinc/46/76/17/1317467617.db2.gz SDSXUFSNBCLANB-RBUKOAKNSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CCC2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC2)CC1 ZINC000957571407 1317469370 /nfs/dbraw/zinc/46/93/70/1317469370.db2.gz QLEAMUXXRREDLF-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](C(C)C)CC2 ZINC000957573413 1317471178 /nfs/dbraw/zinc/47/11/78/1317471178.db2.gz XEVGUMBCGQQZPQ-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001020144188 1317559654 /nfs/dbraw/zinc/55/96/54/1317559654.db2.gz TYVLJORJSXKZGK-MLYOOKFZSA-N 2 1 343.515 3.166 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001020156288 1317567092 /nfs/dbraw/zinc/56/70/92/1317567092.db2.gz FEVAHRMZGXGKKO-GUDVDZBRSA-N 2 1 347.547 3.068 20 0 EGADMP C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000902439935 1317578575 /nfs/dbraw/zinc/57/85/75/1317578575.db2.gz VIUXBZNUTAUCLX-JCXROGDPSA-N 2 1 335.495 3.111 20 0 EGADMP CC[N@@H+](CC1CC(C)C1)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000957720805 1317588279 /nfs/dbraw/zinc/58/82/79/1317588279.db2.gz XVUIVICOWHQPML-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](CC1CC1)CC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000957728730 1317594297 /nfs/dbraw/zinc/59/42/97/1317594297.db2.gz WHWYYVFBCJXZOM-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC1CC1)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000957728730 1317594303 /nfs/dbraw/zinc/59/43/03/1317594303.db2.gz WHWYYVFBCJXZOM-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC1CC1)CC1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000957728730 1317594308 /nfs/dbraw/zinc/59/43/08/1317594308.db2.gz WHWYYVFBCJXZOM-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@@H](C)Cc3cc(OC)ccc32)CC1 ZINC000902766473 1317614815 /nfs/dbraw/zinc/61/48/15/1317614815.db2.gz LXVRCGKGZFATLW-YWZLYKJASA-N 2 1 332.488 3.019 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CN2C[C@](C)(CC)CC2=O)CC1)CC1CC1 ZINC000808174370 1317638499 /nfs/dbraw/zinc/63/84/99/1317638499.db2.gz GHEFRBRLTFMZGA-OAQYLSRUSA-N 2 1 349.563 3.427 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2CC(C)(C)CC2=O)CC1 ZINC000808172878 1317639017 /nfs/dbraw/zinc/63/90/17/1317639017.db2.gz YDKIOWGNCSCCOE-KRWDZBQOSA-N 2 1 335.536 3.179 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2CC(C)(C)CC2=O)CC1 ZINC000808172878 1317639025 /nfs/dbraw/zinc/63/90/25/1317639025.db2.gz YDKIOWGNCSCCOE-KRWDZBQOSA-N 2 1 335.536 3.179 20 0 EGADMP CCC(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903072183 1317648268 /nfs/dbraw/zinc/64/82/68/1317648268.db2.gz HRLLRNGSLBQLGC-JLYLLQBASA-N 2 1 327.472 3.283 20 0 EGADMP CCC(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903072183 1317648275 /nfs/dbraw/zinc/64/82/75/1317648275.db2.gz HRLLRNGSLBQLGC-JLYLLQBASA-N 2 1 327.472 3.283 20 0 EGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1F)C2 ZINC000903116351 1317656047 /nfs/dbraw/zinc/65/60/47/1317656047.db2.gz HJFYHNRINSYGOY-IQRYMVJYSA-N 2 1 338.442 3.095 20 0 EGADMP CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000903119474 1317656712 /nfs/dbraw/zinc/65/67/12/1317656712.db2.gz SAFJIDWLFOSAPH-ZLJHSHKTSA-N 2 1 336.545 3.441 20 0 EGADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(Cl)c(F)c1 ZINC000903128806 1317659153 /nfs/dbraw/zinc/65/91/53/1317659153.db2.gz BNQJALORQXZVFX-BDCDKBNASA-N 2 1 338.854 3.260 20 0 EGADMP O[C@@H](CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000903408514 1317697835 /nfs/dbraw/zinc/69/78/35/1317697835.db2.gz RXHMLVDLDXJXGB-VTHDOGFWSA-N 2 1 328.500 3.323 20 0 EGADMP CC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C)c1cccc(OC)c1 ZINC000903723098 1317724159 /nfs/dbraw/zinc/72/41/59/1317724159.db2.gz SWDIKXSWYDPZMG-QFBILLFUSA-N 2 1 332.488 3.237 20 0 EGADMP C[C@]1(c2ccccc2)CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903728379 1317726065 /nfs/dbraw/zinc/72/60/65/1317726065.db2.gz ABVOLZLBEXJGFB-PMACEKPBSA-N 2 1 328.500 3.199 20 0 EGADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733242 1317726767 /nfs/dbraw/zinc/72/67/67/1317726767.db2.gz JCRFTFCDNWNCRJ-AYBZRNKSSA-N 2 1 332.463 3.162 20 0 EGADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734500 1317727681 /nfs/dbraw/zinc/72/76/81/1317727681.db2.gz RPCYIOHVDGJXJB-QAPCUYQASA-N 2 1 336.907 3.362 20 0 EGADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903735416 1317728766 /nfs/dbraw/zinc/72/87/66/1317728766.db2.gz ZSEBTLDPZQECFP-MDZRGWNJSA-N 2 1 332.463 3.367 20 0 EGADMP CC(C)Oc1cccc(C[N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903755607 1317729351 /nfs/dbraw/zinc/72/93/51/1317729351.db2.gz JVTLICQEXXDJRQ-LJQANCHMSA-N 2 1 332.488 3.064 20 0 EGADMP c1ccc(-c2n[nH]c([C@@H]3CCC[N@H+](C[C@@H]4CCCC[NH2+]C4)C3)n2)cc1 ZINC000903755475 1317729375 /nfs/dbraw/zinc/72/93/75/1317729375.db2.gz HUGYZILFMCLFGN-SJLPKXTDSA-N 2 1 339.487 3.041 20 0 EGADMP CC(C)Oc1cccc(C[N@@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903755605 1317729491 /nfs/dbraw/zinc/72/94/91/1317729491.db2.gz JVTLICQEXXDJRQ-IBGZPJMESA-N 2 1 332.488 3.064 20 0 EGADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000903885414 1317741486 /nfs/dbraw/zinc/74/14/86/1317741486.db2.gz HGDSXKGFNXZWMR-UYAOXDASSA-N 2 1 339.487 3.320 20 0 EGADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000903885413 1317741683 /nfs/dbraw/zinc/74/16/83/1317741683.db2.gz HGDSXKGFNXZWMR-QUCCMNQESA-N 2 1 339.487 3.320 20 0 EGADMP CCC[N@H+](CC(=O)Nc1ccccc1C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903905941 1317746306 /nfs/dbraw/zinc/74/63/06/1317746306.db2.gz PXZWVGLCLJOOIX-AYHJJNSGSA-N 2 1 329.488 3.176 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001020586193 1317791327 /nfs/dbraw/zinc/79/13/27/1317791327.db2.gz HYPDYHUGZYTEGX-BHIYHBOVSA-N 2 1 335.536 3.068 20 0 EGADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)C1 ZINC000904380404 1317840235 /nfs/dbraw/zinc/84/02/35/1317840235.db2.gz LWMNMJAPXANOKQ-LNSITVRQSA-N 2 1 341.318 3.353 20 0 EGADMP C[NH+](C)Cc1ccc(-c2noc(-c3cnn(-c4cc[nH+]cc4)c3)n2)cc1 ZINC000904623375 1317871173 /nfs/dbraw/zinc/87/11/73/1317871173.db2.gz OSUBEBHPNFHOLR-UHFFFAOYSA-N 2 1 346.394 3.046 20 0 EGADMP [NH3+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000904661183 1317878366 /nfs/dbraw/zinc/87/83/66/1317878366.db2.gz QJUONBUJYRQOCK-SFHVURJKSA-N 2 1 344.503 3.312 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cccc3c2OCCO3)cc1 ZINC000809738983 1317883909 /nfs/dbraw/zinc/88/39/09/1317883909.db2.gz RSGMZBOYUAPSAY-UHFFFAOYSA-N 2 1 326.440 3.151 20 0 EGADMP Cc1nc(C)c(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000809970408 1317927480 /nfs/dbraw/zinc/92/74/80/1317927480.db2.gz XXMZKVBLTDVDDF-UHFFFAOYSA-N 2 1 328.460 3.425 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(N2CCCCC2=O)cc1 ZINC000810129036 1317958822 /nfs/dbraw/zinc/95/88/22/1317958822.db2.gz RNPZWPUBJBXGKV-SJLPKXTDSA-N 2 1 329.488 3.338 20 0 EGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000810244896 1317985875 /nfs/dbraw/zinc/98/58/75/1317985875.db2.gz JNDLIHVVMNKBHN-HZPDHXFCSA-N 2 1 327.513 3.096 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@H]3C[C@@H]3c3cccc(F)c3)CC2)CC1 ZINC000906589550 1318121453 /nfs/dbraw/zinc/12/14/53/1318121453.db2.gz DHNOBBGSDGZPIZ-RTWAWAEBSA-N 2 1 345.506 3.172 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001021211016 1318141177 /nfs/dbraw/zinc/14/11/77/1318141177.db2.gz PGAGJCLNXZGKHZ-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001021211016 1318141181 /nfs/dbraw/zinc/14/11/81/1318141181.db2.gz PGAGJCLNXZGKHZ-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1 ZINC001021211016 1318141185 /nfs/dbraw/zinc/14/11/85/1318141185.db2.gz PGAGJCLNXZGKHZ-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001021254034 1318159708 /nfs/dbraw/zinc/15/97/08/1318159708.db2.gz FNXUNUOLONAJSY-XVLXNVKGSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001021254034 1318159710 /nfs/dbraw/zinc/15/97/10/1318159710.db2.gz FNXUNUOLONAJSY-XVLXNVKGSA-N 2 1 349.563 3.407 20 0 EGADMP Cc1cc(N2CCC([NH2+]CC3Cc4ccccc4C3)CC2)nc(C)[nH+]1 ZINC000811486108 1318183361 /nfs/dbraw/zinc/18/33/61/1318183361.db2.gz DITHINIGUYQAOT-UHFFFAOYSA-N 2 1 336.483 3.067 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC ZINC001021434992 1318249113 /nfs/dbraw/zinc/24/91/13/1318249113.db2.gz QTVGRGNURUWLGU-IPQPSQTFSA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC ZINC001021434992 1318249118 /nfs/dbraw/zinc/24/91/18/1318249118.db2.gz QTVGRGNURUWLGU-IPQPSQTFSA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC ZINC001021434992 1318249124 /nfs/dbraw/zinc/24/91/24/1318249124.db2.gz QTVGRGNURUWLGU-IPQPSQTFSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000960008427 1318309177 /nfs/dbraw/zinc/30/91/77/1318309177.db2.gz UDRUQKBOMKIWRL-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCCC2)C1 ZINC000960187029 1318400342 /nfs/dbraw/zinc/40/03/42/1318400342.db2.gz BXPCGQBSAWMHFM-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP Oc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000812720035 1318444303 /nfs/dbraw/zinc/44/43/03/1318444303.db2.gz XZLJDVIMKTXMLI-QFBILLFUSA-N 2 1 330.472 3.003 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021637263 1318493366 /nfs/dbraw/zinc/49/33/66/1318493366.db2.gz ZUNMUYMAIYMASB-LPHOPBHVSA-N 2 1 340.471 3.061 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670618 1318534753 /nfs/dbraw/zinc/53/47/53/1318534753.db2.gz NEIDDPKELGOBHI-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021670618 1318534759 /nfs/dbraw/zinc/53/47/59/1318534759.db2.gz NEIDDPKELGOBHI-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021670618 1318534763 /nfs/dbraw/zinc/53/47/63/1318534763.db2.gz NEIDDPKELGOBHI-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000813828517 1318639167 /nfs/dbraw/zinc/63/91/67/1318639167.db2.gz UQVQMUOESZUYPQ-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000858491127 1328778305 /nfs/dbraw/zinc/77/83/05/1328778305.db2.gz YSMPWPRZEYYFAS-JKSUJKDBSA-N 2 1 331.460 3.026 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC000960663588 1318782088 /nfs/dbraw/zinc/78/20/88/1318782088.db2.gz IBPKVONHMGXHBP-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC000960663588 1318782093 /nfs/dbraw/zinc/78/20/93/1318782093.db2.gz IBPKVONHMGXHBP-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000960663588 1318782101 /nfs/dbraw/zinc/78/21/01/1318782101.db2.gz IBPKVONHMGXHBP-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC2CC(C)(C)C2)CC[N@H+]1C ZINC000960824926 1318951447 /nfs/dbraw/zinc/95/14/47/1318951447.db2.gz VVSRLXHHYWEMJN-YTQUADARSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CC(C)(C)C2)CC[NH+]1C ZINC000960824926 1318951453 /nfs/dbraw/zinc/95/14/53/1318951453.db2.gz VVSRLXHHYWEMJN-YTQUADARSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CC(C)(C)C2)CC[NH+]1C ZINC000960824926 1318951458 /nfs/dbraw/zinc/95/14/58/1318951458.db2.gz VVSRLXHHYWEMJN-YTQUADARSA-N 2 1 349.563 3.076 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000913160326 1318980900 /nfs/dbraw/zinc/98/09/00/1318980900.db2.gz XXSZAXMNHJCPDD-SFHVURJKSA-N 2 1 340.471 3.038 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C)c(C)c1)[NH+](C)C ZINC000960871452 1319015677 /nfs/dbraw/zinc/01/56/77/1319015677.db2.gz XIUABOYTRXUSHG-UXHICEINSA-N 2 1 345.531 3.066 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)c1cccc(Cl)c1 ZINC001022711880 1319079311 /nfs/dbraw/zinc/07/93/11/1319079311.db2.gz FOXZIQOEFMWLOQ-DFEHZGFQSA-N 2 1 349.906 3.122 20 0 EGADMP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001022717074 1319080979 /nfs/dbraw/zinc/08/09/79/1319080979.db2.gz OVGUIRJORUBQCE-MKXGPGLRSA-N 2 1 349.563 3.172 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC000961029820 1319153579 /nfs/dbraw/zinc/15/35/79/1319153579.db2.gz ZRBXTZARCOSOGC-HXUWFJFHSA-N 2 1 347.547 3.286 20 0 EGADMP Cn1ncc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1Cl ZINC000816502798 1319167581 /nfs/dbraw/zinc/16/75/81/1319167581.db2.gz QZDPGYDTMQIEMQ-UHFFFAOYSA-N 2 1 346.906 3.418 20 0 EGADMP Cn1ncc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1Cl ZINC000816502798 1319167586 /nfs/dbraw/zinc/16/75/86/1319167586.db2.gz QZDPGYDTMQIEMQ-UHFFFAOYSA-N 2 1 346.906 3.418 20 0 EGADMP COC1([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)CCCCC1 ZINC000817575188 1319400090 /nfs/dbraw/zinc/40/00/90/1319400090.db2.gz GBQURMMDMLXLDE-HNNXBMFYSA-N 2 1 328.460 3.403 20 0 EGADMP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000915097946 1319421713 /nfs/dbraw/zinc/42/17/13/1319421713.db2.gz LZLBITAFIXTJFQ-RTBURBONSA-N 2 1 347.547 3.260 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1OC(=O)CC ZINC000817865684 1319448989 /nfs/dbraw/zinc/44/89/89/1319448989.db2.gz XEFGOVKGSVYMPV-UXLLHSPISA-N 2 1 348.487 3.206 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(N2CCOC2=O)cc1 ZINC000817891540 1319453936 /nfs/dbraw/zinc/45/39/36/1319453936.db2.gz MOPMGXRGPDYCHF-BKTGTZMESA-N 2 1 337.423 3.439 20 0 EGADMP O[C@]1(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCCc2ccccc21 ZINC000817912612 1319458437 /nfs/dbraw/zinc/45/84/37/1319458437.db2.gz BPOHYNVAFZDLBB-HJNYFJLDSA-N 2 1 336.479 3.293 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023364619 1319477209 /nfs/dbraw/zinc/47/72/09/1319477209.db2.gz NBGHBSUIAXODLV-HKUYNNGSSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001023364619 1319477215 /nfs/dbraw/zinc/47/72/15/1319477215.db2.gz NBGHBSUIAXODLV-HKUYNNGSSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001023364619 1319477220 /nfs/dbraw/zinc/47/72/20/1319477220.db2.gz NBGHBSUIAXODLV-HKUYNNGSSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000818959422 1319590372 /nfs/dbraw/zinc/59/03/72/1319590372.db2.gz JRUIRYGEZYBYLY-KDOFPFPSSA-N 2 1 326.431 3.100 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000819151821 1319648741 /nfs/dbraw/zinc/64/87/41/1319648741.db2.gz FLWDBOSZSLJTEE-WMLDXEAASA-N 2 1 344.421 3.306 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000819366543 1319710477 /nfs/dbraw/zinc/71/04/77/1319710477.db2.gz RREVZLFMIQRTMA-XJKSGUPXSA-N 2 1 330.394 3.060 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646222 1319765648 /nfs/dbraw/zinc/76/56/48/1319765648.db2.gz KEYTZQQZXXMUIY-PKOBYXMFSA-N 2 1 345.531 3.236 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC000962024725 1319803098 /nfs/dbraw/zinc/80/30/98/1319803098.db2.gz REYIUGVYQCKMNL-MHJFOBGBSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC2CC(C[NH2+]CC3CCCCCC3)C2)CC[N@H+]1C ZINC000962222759 1319866847 /nfs/dbraw/zinc/86/68/47/1319866847.db2.gz NWQXUBHRBHPSBI-VHBXLISGSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763102 1319907924 /nfs/dbraw/zinc/90/79/24/1319907924.db2.gz CRRWRLMYSAMBOK-GOSISDBHSA-N 2 1 345.531 3.236 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc3nonc3c2)C1 ZINC000821374036 1320009911 /nfs/dbraw/zinc/00/99/11/1320009911.db2.gz LHGDCEDUCBIEPC-RDJZCZTQSA-N 2 1 328.460 3.309 20 0 EGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc3nonc3c2)C1 ZINC000821374036 1320009912 /nfs/dbraw/zinc/00/99/12/1320009912.db2.gz LHGDCEDUCBIEPC-RDJZCZTQSA-N 2 1 328.460 3.309 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc3nonc3c2)C1 ZINC000821374036 1320009916 /nfs/dbraw/zinc/00/99/16/1320009916.db2.gz LHGDCEDUCBIEPC-RDJZCZTQSA-N 2 1 328.460 3.309 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc3nonc3c2)C1 ZINC000821374036 1320009918 /nfs/dbraw/zinc/00/99/18/1320009918.db2.gz LHGDCEDUCBIEPC-RDJZCZTQSA-N 2 1 328.460 3.309 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC000821374036 1320009920 /nfs/dbraw/zinc/00/99/20/1320009920.db2.gz LHGDCEDUCBIEPC-RDJZCZTQSA-N 2 1 328.460 3.309 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)CC1 ZINC000821984600 1320045314 /nfs/dbraw/zinc/04/53/14/1320045314.db2.gz XLACMYUMXOEFOK-INIZCTEOSA-N 2 1 339.524 3.238 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822598461 1320102427 /nfs/dbraw/zinc/10/24/27/1320102427.db2.gz RGLKGHKDTBVFQI-OAGGEKHMSA-N 2 1 348.362 3.061 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822598460 1320102821 /nfs/dbraw/zinc/10/28/21/1320102821.db2.gz RGLKGHKDTBVFQI-BZUAXINKSA-N 2 1 348.362 3.061 20 0 EGADMP CCOC(=O)CC(C)(C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000838897684 1320831171 /nfs/dbraw/zinc/83/11/71/1320831171.db2.gz RFGKNACMZDQGPH-UHFFFAOYSA-N 2 1 346.515 3.263 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000840810033 1321153860 /nfs/dbraw/zinc/15/38/60/1321153860.db2.gz NPYGCSBTQUTERW-DLBZAZTESA-N 2 1 345.487 3.416 20 0 EGADMP CCOc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OC(=O)CC ZINC000840874113 1321166789 /nfs/dbraw/zinc/16/67/89/1321166789.db2.gz WXXZVQZQNCTTTK-UHFFFAOYSA-N 2 1 346.471 3.117 20 0 EGADMP C[C@H](C(=O)N(C)c1ccccc1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213359 1328947105 /nfs/dbraw/zinc/94/71/05/1328947105.db2.gz HFCZWOGSBYNJFV-QGZVFWFLSA-N 2 1 339.483 3.232 20 0 EGADMP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213359 1328947108 /nfs/dbraw/zinc/94/71/08/1328947108.db2.gz HFCZWOGSBYNJFV-QGZVFWFLSA-N 2 1 339.483 3.232 20 0 EGADMP C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212894 1328947186 /nfs/dbraw/zinc/94/71/86/1328947186.db2.gz CRTBNQFEYBSCRQ-HNNXBMFYSA-N 2 1 343.446 3.346 20 0 EGADMP C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212894 1328947189 /nfs/dbraw/zinc/94/71/89/1328947189.db2.gz CRTBNQFEYBSCRQ-HNNXBMFYSA-N 2 1 343.446 3.346 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)NC2CCCCCC2)cc1 ZINC000859215298 1328948152 /nfs/dbraw/zinc/94/81/52/1328948152.db2.gz BXEMLYPGLNVKHX-UHFFFAOYSA-N 2 1 331.504 3.019 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)NC2CCCCCC2)cc1 ZINC000859215298 1328948154 /nfs/dbraw/zinc/94/81/54/1328948154.db2.gz BXEMLYPGLNVKHX-UHFFFAOYSA-N 2 1 331.504 3.019 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc(=O)oc2c1C ZINC000842474131 1321392998 /nfs/dbraw/zinc/39/29/98/1321392998.db2.gz GBRJDTHWXKZNRL-VQIMIIECSA-N 2 1 340.467 3.374 20 0 EGADMP COc1ccc([C@H](CC(C)C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000842838429 1321440354 /nfs/dbraw/zinc/44/03/54/1321440354.db2.gz OBDPLMJYLPBSBJ-SXLOBPIMSA-N 2 1 332.488 3.235 20 0 EGADMP COc1ccc([C@H](CC(C)C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000842838429 1321440357 /nfs/dbraw/zinc/44/03/57/1321440357.db2.gz OBDPLMJYLPBSBJ-SXLOBPIMSA-N 2 1 332.488 3.235 20 0 EGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120217 1321473569 /nfs/dbraw/zinc/47/35/69/1321473569.db2.gz ZTLGWWGWDATKQJ-UHFFFAOYSA-N 2 1 344.890 3.410 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](C)C3)c2cc1C(C)C ZINC000843353724 1321504987 /nfs/dbraw/zinc/50/49/87/1321504987.db2.gz NWMNRHVUNUQMMU-RDTXWAMCSA-N 2 1 328.456 3.394 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@@H]([NH3+])[C@H](C)C3)c2cc1C(C)C ZINC000843353724 1321504989 /nfs/dbraw/zinc/50/49/89/1321504989.db2.gz NWMNRHVUNUQMMU-RDTXWAMCSA-N 2 1 328.456 3.394 20 0 EGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000843360991 1321505971 /nfs/dbraw/zinc/50/59/71/1321505971.db2.gz OKBCOCRSYCJRDJ-IHWFROFDSA-N 2 1 341.499 3.157 20 0 EGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000843360991 1321505974 /nfs/dbraw/zinc/50/59/74/1321505974.db2.gz OKBCOCRSYCJRDJ-IHWFROFDSA-N 2 1 341.499 3.157 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C[C@H]21 ZINC000843368152 1321507869 /nfs/dbraw/zinc/50/78/69/1321507869.db2.gz KKQDPNUSCIWIHU-CEWLAPEOSA-N 2 1 349.478 3.351 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C[C@H]21 ZINC000843368152 1321507877 /nfs/dbraw/zinc/50/78/77/1321507877.db2.gz KKQDPNUSCIWIHU-CEWLAPEOSA-N 2 1 349.478 3.351 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845929517 1321755044 /nfs/dbraw/zinc/75/50/44/1321755044.db2.gz VHMLZYRUVLYWRE-AQFXKWCLSA-N 2 1 339.524 3.001 20 0 EGADMP C[C@H]1CCC[N@H+](CC(=O)Nc2ccc3ccccc3c2)[C@@H]1CC[NH3+] ZINC000846226361 1321777997 /nfs/dbraw/zinc/77/79/97/1321777997.db2.gz KVTVIUYQVLZKKV-HNAYVOBHSA-N 2 1 325.456 3.228 20 0 EGADMP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3ccccc3c2)[C@@H]1CC[NH3+] ZINC000846226361 1321778001 /nfs/dbraw/zinc/77/80/01/1321778001.db2.gz KVTVIUYQVLZKKV-HNAYVOBHSA-N 2 1 325.456 3.228 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(Cl)nc(Cl)c3)C2)C1 ZINC000846225948 1321778493 /nfs/dbraw/zinc/77/84/93/1321778493.db2.gz RVSCMABFBZDLJL-BFHYXJOUSA-N 2 1 344.286 3.107 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)nc(Cl)c3)C2)C1 ZINC000846225948 1321778494 /nfs/dbraw/zinc/77/84/94/1321778494.db2.gz RVSCMABFBZDLJL-BFHYXJOUSA-N 2 1 344.286 3.107 20 0 EGADMP C[C@@]1(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1(Cl)Cl ZINC000848553636 1321975321 /nfs/dbraw/zinc/97/53/21/1321975321.db2.gz MFYGTOCSMTVMBM-HUUCEWRRSA-N 2 1 335.319 3.193 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=[NH2+])NCCc1ccccc1)c1ccccc1 ZINC000849055218 1322060741 /nfs/dbraw/zinc/06/07/41/1322060741.db2.gz WQWIUUBLINMVPC-HXUWFJFHSA-N 2 1 338.499 3.426 20 0 EGADMP C[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@@H+]1CCc2ccccc2C1 ZINC000849081223 1322070365 /nfs/dbraw/zinc/07/03/65/1322070365.db2.gz NIIINNGECCDNOS-ZDUSSCGKSA-N 2 1 344.409 3.348 20 0 EGADMP C[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@H+]1CCc2ccccc2C1 ZINC000849081223 1322070372 /nfs/dbraw/zinc/07/03/72/1322070372.db2.gz NIIINNGECCDNOS-ZDUSSCGKSA-N 2 1 344.409 3.348 20 0 EGADMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCC[N@H+](C)CCN(C)C)cc1 ZINC000849081919 1322070898 /nfs/dbraw/zinc/07/08/98/1322070898.db2.gz QBSRCRLGOAMPQM-MRXNPFEDSA-N 2 1 333.524 3.020 20 0 EGADMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCC[N@@H+](C)CCN(C)C)cc1 ZINC000849081919 1322070903 /nfs/dbraw/zinc/07/09/03/1322070903.db2.gz QBSRCRLGOAMPQM-MRXNPFEDSA-N 2 1 333.524 3.020 20 0 EGADMP CC[N@@H+](CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)C(C)C ZINC000849090546 1322073920 /nfs/dbraw/zinc/07/39/20/1322073920.db2.gz BMGMHLFWTKSXFB-UHFFFAOYSA-N 2 1 330.398 3.050 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849091268 1322075537 /nfs/dbraw/zinc/07/55/37/1322075537.db2.gz QRIIYCNGBPIFOX-CYBMUJFWSA-N 2 1 342.409 3.051 20 0 EGADMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000849105207 1322080234 /nfs/dbraw/zinc/08/02/34/1322080234.db2.gz FIYFKWXODCEXIT-QGZVFWFLSA-N 2 1 330.476 3.427 20 0 EGADMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000849108235 1322081327 /nfs/dbraw/zinc/08/13/27/1322081327.db2.gz MMKFEHLNGOQOHC-MRXNPFEDSA-N 2 1 345.535 3.162 20 0 EGADMP C[N@H+]1CC[C@H](CNC(=[NH2+])NC2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000849112277 1322083429 /nfs/dbraw/zinc/08/34/29/1322083429.db2.gz FNPGCRFIOPQFGT-MLGOLLRUSA-N 2 1 338.858 3.138 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc2c(c1)CCCO2 ZINC000850432941 1322248453 /nfs/dbraw/zinc/24/84/53/1322248453.db2.gz DNGSRVZYLWCWGU-OXQOHEQNSA-N 2 1 344.499 3.306 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[C@H](C)O3)[C@H](C)C1 ZINC000921748649 1322391444 /nfs/dbraw/zinc/39/14/44/1322391444.db2.gz ZAVONHSMQOFKAS-UWVAXJGDSA-N 2 1 346.515 3.237 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000922503174 1322544088 /nfs/dbraw/zinc/54/40/88/1322544088.db2.gz HFZCCCREPLLJHN-UHFFFAOYSA-N 3 1 336.549 3.091 20 0 EGADMP CCC[N@@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000923326367 1322734734 /nfs/dbraw/zinc/73/47/34/1322734734.db2.gz GMKWQJCHBIPJTD-INIZCTEOSA-N 2 1 344.421 3.073 20 0 EGADMP CCc1ncc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000923346203 1322738282 /nfs/dbraw/zinc/73/82/82/1322738282.db2.gz WCEMPOGXNMOZQI-PKOBYXMFSA-N 2 1 327.472 3.409 20 0 EGADMP C(CCC[N@H+]1CCO[C@@H]2CCC[C@@H]21)CC[NH+]1CCO[C@@H]2CCC[C@@H]21 ZINC000859638347 1329042151 /nfs/dbraw/zinc/04/21/51/1329042151.db2.gz JCIKBKXPDSYCFY-VNTMZGSJSA-N 2 1 336.520 3.053 20 0 EGADMP O[C@@H](C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccc(F)cc1Cl ZINC000923390859 1322744254 /nfs/dbraw/zinc/74/42/54/1322744254.db2.gz WKGVELHPTSFAPA-KSSFIOAISA-N 2 1 340.870 3.224 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923491608 1322760889 /nfs/dbraw/zinc/76/08/89/1322760889.db2.gz JWXLNTWQCPNEPA-IRXDYDNUSA-N 2 1 337.467 3.351 20 0 EGADMP c1ccc(C(OCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c2ccccc2)cc1 ZINC000923519975 1322768161 /nfs/dbraw/zinc/76/81/61/1322768161.db2.gz PBRVYLRUFUNIOY-LEWJYISDSA-N 2 1 336.479 3.334 20 0 EGADMP Cc1[nH]c(C2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)CC2)[nH+]c1C ZINC000924314521 1322975959 /nfs/dbraw/zinc/97/59/59/1322975959.db2.gz RXOFWXZEGYNBIC-SFHVURJKSA-N 2 1 346.519 3.243 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CC3CCCCCC3)C2)CC[N@H+]1C ZINC001023994124 1323068220 /nfs/dbraw/zinc/06/82/20/1323068220.db2.gz ZDVUYGOCKSJXJN-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001024018687 1323081069 /nfs/dbraw/zinc/08/10/69/1323081069.db2.gz RMOHSYSHVNOHAY-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2ccnc(N3CCCC3)c2)CC1 ZINC000924627945 1323082691 /nfs/dbraw/zinc/08/26/91/1323082691.db2.gz FXWKLRZSSFCKFN-UHFFFAOYSA-N 2 1 330.520 3.282 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CC[C@@H]2COC(C)(C)O2)CC1)CC1CC1 ZINC000851889400 1323107849 /nfs/dbraw/zinc/10/78/49/1323107849.db2.gz HUYZEKBYBQHGKY-LJQANCHMSA-N 2 1 338.536 3.362 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)c2ccccn2)CC1)CC(C)C ZINC000851892247 1323109569 /nfs/dbraw/zinc/10/95/69/1323109569.db2.gz LGUCPNVFFNRNOY-HXUWFJFHSA-N 2 1 333.520 3.195 20 0 EGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000924696509 1323117302 /nfs/dbraw/zinc/11/73/02/1323117302.db2.gz DLJWQNYSROQXBC-MRXNPFEDSA-N 2 1 325.456 3.411 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC3CCCC3)C2)C1 ZINC001024119373 1323149949 /nfs/dbraw/zinc/14/99/49/1323149949.db2.gz YLHWHZFEKHXRAF-PMACEKPBSA-N 2 1 349.563 3.127 20 0 EGADMP Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000852744917 1323234462 /nfs/dbraw/zinc/23/44/62/1323234462.db2.gz LANMYHYYVGISHU-KRWDZBQOSA-N 2 1 344.890 3.365 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024278206 1323256394 /nfs/dbraw/zinc/25/63/94/1323256394.db2.gz GWIWPETWSQSSAU-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000925056978 1323260283 /nfs/dbraw/zinc/26/02/83/1323260283.db2.gz MFTYUPVYAGHNFO-AWEZNQCLSA-N 2 1 330.476 3.430 20 0 EGADMP O[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000853106125 1323284882 /nfs/dbraw/zinc/28/48/82/1323284882.db2.gz QUIOWSQUAUKWJJ-CTNGQTDRSA-N 2 1 339.483 3.007 20 0 EGADMP CS[C@H](CO)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925109364 1323285858 /nfs/dbraw/zinc/28/58/58/1323285858.db2.gz DMFDCSUMUDVTFG-QFMLELGNSA-N 2 1 348.556 3.274 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024470409 1323424889 /nfs/dbraw/zinc/42/48/89/1323424889.db2.gz ZMHSLHXJWVHHNX-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001024470409 1323424892 /nfs/dbraw/zinc/42/48/92/1323424892.db2.gz ZMHSLHXJWVHHNX-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001024470409 1323424899 /nfs/dbraw/zinc/42/48/99/1323424899.db2.gz ZMHSLHXJWVHHNX-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001024513047 1323463823 /nfs/dbraw/zinc/46/38/23/1323463823.db2.gz MJVYCKJMJSHZSD-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCCC1 ZINC001024513047 1323463824 /nfs/dbraw/zinc/46/38/24/1323463824.db2.gz MJVYCKJMJSHZSD-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCCC1 ZINC001024513047 1323463830 /nfs/dbraw/zinc/46/38/30/1323463830.db2.gz MJVYCKJMJSHZSD-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1 ZINC001024522568 1323470552 /nfs/dbraw/zinc/47/05/52/1323470552.db2.gz GUYUNSNIAIFWBO-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024522568 1323470555 /nfs/dbraw/zinc/47/05/55/1323470555.db2.gz GUYUNSNIAIFWBO-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024522568 1323470557 /nfs/dbraw/zinc/47/05/57/1323470557.db2.gz GUYUNSNIAIFWBO-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001024524770 1323470712 /nfs/dbraw/zinc/47/07/12/1323470712.db2.gz ZWCUFYQWYGBOIV-RBUKOAKNSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024524770 1323470720 /nfs/dbraw/zinc/47/07/20/1323470720.db2.gz ZWCUFYQWYGBOIV-RBUKOAKNSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024524770 1323470726 /nfs/dbraw/zinc/47/07/26/1323470726.db2.gz ZWCUFYQWYGBOIV-RBUKOAKNSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCC1 ZINC001024693104 1323610105 /nfs/dbraw/zinc/61/01/05/1323610105.db2.gz WJZJQSULNPPPED-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCC1 ZINC001024693104 1323610123 /nfs/dbraw/zinc/61/01/23/1323610123.db2.gz WJZJQSULNPPPED-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCC1 ZINC001024693104 1323610133 /nfs/dbraw/zinc/61/01/33/1323610133.db2.gz WJZJQSULNPPPED-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024749829 1323653077 /nfs/dbraw/zinc/65/30/77/1323653077.db2.gz HGRNNZZKHZLNRL-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811647 1323712971 /nfs/dbraw/zinc/71/29/71/1323712971.db2.gz VRYIGMLCCMPRHO-FQEVSTJZSA-N 2 1 343.515 3.299 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCCC[N@H+]2CCC2CC2)c1 ZINC001024811455 1323714055 /nfs/dbraw/zinc/71/40/55/1323714055.db2.gz UHCSNSQUIJGDCK-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001024812995 1323715130 /nfs/dbraw/zinc/71/51/30/1323715130.db2.gz VALQUXYDWUESLO-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001024812995 1323715135 /nfs/dbraw/zinc/71/51/35/1323715135.db2.gz VALQUXYDWUESLO-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001024812995 1323715140 /nfs/dbraw/zinc/71/51/40/1323715140.db2.gz VALQUXYDWUESLO-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001024963337 1323803246 /nfs/dbraw/zinc/80/32/46/1323803246.db2.gz MSPHYPBEEHGJEY-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001025003582 1323822342 /nfs/dbraw/zinc/82/23/42/1323822342.db2.gz SZEOPOOZSNKBSE-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432002 1329115868 /nfs/dbraw/zinc/11/58/68/1329115868.db2.gz SXJBTLIKISGTHI-BPQIPLTHSA-N 2 1 337.467 3.050 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432002 1329115869 /nfs/dbraw/zinc/11/58/69/1329115869.db2.gz SXJBTLIKISGTHI-BPQIPLTHSA-N 2 1 337.467 3.050 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432002 1329115874 /nfs/dbraw/zinc/11/58/74/1329115874.db2.gz SXJBTLIKISGTHI-BPQIPLTHSA-N 2 1 337.467 3.050 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432002 1329115876 /nfs/dbraw/zinc/11/58/76/1329115876.db2.gz SXJBTLIKISGTHI-BPQIPLTHSA-N 2 1 337.467 3.050 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432002 1329115879 /nfs/dbraw/zinc/11/58/79/1329115879.db2.gz SXJBTLIKISGTHI-BPQIPLTHSA-N 2 1 337.467 3.050 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC1 ZINC001025137196 1323913926 /nfs/dbraw/zinc/91/39/26/1323913926.db2.gz VXVRTFSLPNRFAC-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025248095 1324048255 /nfs/dbraw/zinc/04/82/55/1324048255.db2.gz VJZMMESZEPDZPL-MOPGFXCFSA-N 2 1 347.547 3.260 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275070 1324094728 /nfs/dbraw/zinc/09/47/28/1324094728.db2.gz RYZNRSAAJGYDNI-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279652 1324101916 /nfs/dbraw/zinc/10/19/16/1324101916.db2.gz FVOYQWWGDWNHHV-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+]1CCC(C)C ZINC001025297602 1324130302 /nfs/dbraw/zinc/13/03/02/1324130302.db2.gz YYRCEPSLXHXOAU-OALUTQOASA-N 2 1 346.519 3.083 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CCC(C)C ZINC001025297602 1324130304 /nfs/dbraw/zinc/13/03/04/1324130304.db2.gz YYRCEPSLXHXOAU-OALUTQOASA-N 2 1 346.519 3.083 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1CCC([NH2+]CCC2CC2)CC1 ZINC001026506686 1324854898 /nfs/dbraw/zinc/85/48/98/1324854898.db2.gz FUIPKRAGIXWOBT-ACBHZAAOSA-N 2 1 335.536 3.066 20 0 EGADMP CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001026548041 1324885101 /nfs/dbraw/zinc/88/51/01/1324885101.db2.gz MMBABIPWICXBTH-TVPLGVNVSA-N 2 1 335.536 3.211 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000963307512 1325089790 /nfs/dbraw/zinc/08/97/90/1325089790.db2.gz YXGVFDQKDRWANE-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCC2CC2)CC1 ZINC000963319381 1325105074 /nfs/dbraw/zinc/10/50/74/1325105074.db2.gz NYOUZIBUVZEKMT-ACBHZAAOSA-N 2 1 335.536 3.019 20 0 EGADMP COc1ccc([C@@H](CCO)[NH2+]C2CC[NH+](CCC(C)C)CC2)cc1 ZINC000925286500 1325114604 /nfs/dbraw/zinc/11/46/04/1325114604.db2.gz JJCSEGSPBUJKBV-HXUWFJFHSA-N 2 1 334.504 3.219 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cc1 ZINC000925504186 1325181077 /nfs/dbraw/zinc/18/10/77/1325181077.db2.gz KWBJATKMAJNTDY-PWRODBHTSA-N 2 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cc1 ZINC000925504186 1325181081 /nfs/dbraw/zinc/18/10/81/1325181081.db2.gz KWBJATKMAJNTDY-PWRODBHTSA-N 2 1 327.516 3.019 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(CN[C@H]2CC[NH2+]C23CCCC3)cc1F ZINC000925566274 1325213946 /nfs/dbraw/zinc/21/39/46/1325213946.db2.gz ALUSFDHAMJSIEW-SFHVURJKSA-N 2 1 328.435 3.084 20 0 EGADMP FC(F)(F)[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)O1 ZINC000925805247 1325309029 /nfs/dbraw/zinc/30/90/29/1325309029.db2.gz HKDBYGPMOOMLHX-FPCVCCKLSA-N 2 1 328.378 3.179 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC1CCCCC1)C2 ZINC000963631800 1325348140 /nfs/dbraw/zinc/34/81/40/1325348140.db2.gz MAHORNBNILCBLV-FCOWATRHSA-N 2 1 347.547 3.068 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CC2CC2)CC1 ZINC000964153714 1325483464 /nfs/dbraw/zinc/48/34/64/1325483464.db2.gz PUOFDKJKKAAMQJ-SOAGJPPSSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@@H+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027334223 1325493068 /nfs/dbraw/zinc/49/30/68/1325493068.db2.gz KSGNVLZPGZBJSS-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001027334223 1325493075 /nfs/dbraw/zinc/49/30/75/1325493075.db2.gz KSGNVLZPGZBJSS-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001027334223 1325493079 /nfs/dbraw/zinc/49/30/79/1325493079.db2.gz KSGNVLZPGZBJSS-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC(NC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000856762165 1325519592 /nfs/dbraw/zinc/51/95/92/1325519592.db2.gz OQAAXWPOQSSTCI-LJQANCHMSA-N 2 1 343.515 3.100 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCCC1 ZINC000856885305 1325539289 /nfs/dbraw/zinc/53/92/89/1325539289.db2.gz VPVPHWDIHCKRHC-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857141958 1325579944 /nfs/dbraw/zinc/57/99/44/1325579944.db2.gz OQHNQFDTMMLCJV-UXHICEINSA-N 2 1 343.515 3.052 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)CC3CCCCCC3)C2)CC[N@H+]1C ZINC001027416996 1327644357 /nfs/dbraw/zinc/64/43/57/1327644357.db2.gz RAPFALJLCZHHEL-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@H+](C)CC3CCCCCC3)C2)CC[NH+]1C ZINC001027416996 1327644365 /nfs/dbraw/zinc/64/43/65/1327644365.db2.gz RAPFALJLCZHHEL-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@@H+](C)CC3CCCCCC3)C2)CC[NH+]1C ZINC001027416996 1327644376 /nfs/dbraw/zinc/64/43/76/1327644376.db2.gz RAPFALJLCZHHEL-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCCC2)C1)C1CC1 ZINC001027445104 1327684971 /nfs/dbraw/zinc/68/49/71/1327684971.db2.gz ZWENOCQPXFEIQJ-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCC2)C1)[NH+](C)C ZINC001027452503 1327693813 /nfs/dbraw/zinc/69/38/13/1327693813.db2.gz PQYWQUDIRQVMPB-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cc[nH]c(=O)c1 ZINC000926776446 1327711984 /nfs/dbraw/zinc/71/19/84/1327711984.db2.gz AQQXOOLRDXEIBL-TXPKVOOTSA-N 2 1 325.456 3.206 20 0 EGADMP C[N@@H+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027464430 1327714556 /nfs/dbraw/zinc/71/45/56/1327714556.db2.gz GFYYRZAMSOEWHD-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001027464430 1327714564 /nfs/dbraw/zinc/71/45/64/1327714564.db2.gz GFYYRZAMSOEWHD-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001027464430 1327714572 /nfs/dbraw/zinc/71/45/72/1327714572.db2.gz GFYYRZAMSOEWHD-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC001027471115 1327726302 /nfs/dbraw/zinc/72/63/02/1327726302.db2.gz WSFUUDWMDDNERH-LJQANCHMSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](CC1CCC1)[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001027471115 1327726308 /nfs/dbraw/zinc/72/63/08/1327726308.db2.gz WSFUUDWMDDNERH-LJQANCHMSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](CC1CCC1)[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001027471115 1327726315 /nfs/dbraw/zinc/72/63/15/1327726315.db2.gz WSFUUDWMDDNERH-LJQANCHMSA-N 2 1 349.563 3.362 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1C ZINC000926903581 1327765899 /nfs/dbraw/zinc/76/58/99/1327765899.db2.gz XENWMYMEYJBYMU-LPHOPBHVSA-N 2 1 332.488 3.298 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542070 1327845216 /nfs/dbraw/zinc/84/52/16/1327845216.db2.gz HPPLREADBGSORO-OALUTQOASA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027542070 1327845219 /nfs/dbraw/zinc/84/52/19/1327845219.db2.gz HPPLREADBGSORO-OALUTQOASA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027542070 1327845224 /nfs/dbraw/zinc/84/52/24/1327845224.db2.gz HPPLREADBGSORO-OALUTQOASA-N 2 1 335.536 3.115 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH+](C)CC3CC(C)(C)C3)C2)CC[N@H+]1C ZINC001027547449 1327852910 /nfs/dbraw/zinc/85/29/10/1327852910.db2.gz SFTJNZUZUYDAST-WDSOQIARSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([N@H+](C)CC3CC(C)(C)C3)C2)CC[NH+]1C ZINC001027547449 1327852917 /nfs/dbraw/zinc/85/29/17/1327852917.db2.gz SFTJNZUZUYDAST-WDSOQIARSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)CC3CC(C)(C)C3)C2)CC[NH+]1C ZINC001027547449 1327852924 /nfs/dbraw/zinc/85/29/24/1327852924.db2.gz SFTJNZUZUYDAST-WDSOQIARSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555378 1327862135 /nfs/dbraw/zinc/86/21/35/1327862135.db2.gz KGLSYOKBTFNTDO-YLJYHZDGSA-N 2 1 343.515 3.012 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]([N@H+](C)CCC2CCCCC2)C1 ZINC001027681943 1328081613 /nfs/dbraw/zinc/08/16/13/1328081613.db2.gz GEBQWEXKUHZQCK-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC001027681943 1328081620 /nfs/dbraw/zinc/08/16/20/1328081620.db2.gz GEBQWEXKUHZQCK-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2ccsc2)C1 ZINC001027694352 1328100158 /nfs/dbraw/zinc/10/01/58/1328100158.db2.gz WDOOHOKLUZJXBS-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccsc2)C1 ZINC001027694352 1328100169 /nfs/dbraw/zinc/10/01/69/1328100169.db2.gz WDOOHOKLUZJXBS-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccsc2)C1 ZINC001027694352 1328100174 /nfs/dbraw/zinc/10/01/74/1328100174.db2.gz WDOOHOKLUZJXBS-MSOLQXFVSA-N 2 1 349.544 3.045 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCCC2)C1 ZINC001027694505 1328101108 /nfs/dbraw/zinc/10/11/08/1328101108.db2.gz AQMTYJZBNKQQAR-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027694505 1328101111 /nfs/dbraw/zinc/10/11/11/1328101111.db2.gz AQMTYJZBNKQQAR-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027694505 1328101115 /nfs/dbraw/zinc/10/11/15/1328101115.db2.gz AQMTYJZBNKQQAR-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cs1 ZINC001027879489 1328344908 /nfs/dbraw/zinc/34/49/08/1328344908.db2.gz SVHPVWZGGMUMLX-ZWKOTPCHSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2CCC[NH+]2C(C)C)cs1 ZINC001027879489 1328344916 /nfs/dbraw/zinc/34/49/16/1328344916.db2.gz SVHPVWZGGMUMLX-ZWKOTPCHSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2CCC[NH+]2C(C)C)cs1 ZINC001027879489 1328344923 /nfs/dbraw/zinc/34/49/23/1328344923.db2.gz SVHPVWZGGMUMLX-ZWKOTPCHSA-N 2 1 349.544 3.010 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001027879698 1328348067 /nfs/dbraw/zinc/34/80/67/1328348067.db2.gz WTKXPAFJXKPOJN-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001027879698 1328348070 /nfs/dbraw/zinc/34/80/70/1328348070.db2.gz WTKXPAFJXKPOJN-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC001027879698 1328348079 /nfs/dbraw/zinc/34/80/79/1328348079.db2.gz WTKXPAFJXKPOJN-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001027918262 1328396945 /nfs/dbraw/zinc/39/69/45/1328396945.db2.gz LNNYTUDOQVPVSU-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001027918262 1328396955 /nfs/dbraw/zinc/39/69/55/1328396955.db2.gz LNNYTUDOQVPVSU-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001027918262 1328396965 /nfs/dbraw/zinc/39/69/65/1328396965.db2.gz LNNYTUDOQVPVSU-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027919310 1328397866 /nfs/dbraw/zinc/39/78/66/1328397866.db2.gz VPCYPTRGWAVNDO-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC001027919310 1328397868 /nfs/dbraw/zinc/39/78/68/1328397868.db2.gz VPCYPTRGWAVNDO-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCCC1 ZINC001027919310 1328397874 /nfs/dbraw/zinc/39/78/74/1328397874.db2.gz VPCYPTRGWAVNDO-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)CCCC1CC[NH+](CN2C[C@H](c3ccccc3)OC2=O)CC1 ZINC000863263655 1329541286 /nfs/dbraw/zinc/54/12/86/1329541286.db2.gz ULPFFMQRWRBUKZ-LJQANCHMSA-N 2 1 345.487 3.191 20 0 EGADMP c1coc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[NH+]2CCCC2)c1 ZINC000863983410 1329592500 /nfs/dbraw/zinc/59/25/00/1329592500.db2.gz GZLMDIBESKBERI-ZCTYVAAUSA-N 2 1 329.488 3.164 20 0 EGADMP CC(C)(C)Oc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000865468098 1329701352 /nfs/dbraw/zinc/70/13/52/1329701352.db2.gz AZUCMSKTHMESFS-SFHVURJKSA-N 2 1 346.515 3.454 20 0 EGADMP CCCn1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nn1 ZINC000865508963 1329707091 /nfs/dbraw/zinc/70/70/91/1329707091.db2.gz IVHHRDPRDPPCNA-HKUYNNGSSA-N 2 1 341.503 3.078 20 0 EGADMP CC(C)(C[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)C[NH+]1CCCC1 ZINC000865540858 1329711448 /nfs/dbraw/zinc/71/14/48/1329711448.db2.gz BWVHSIITUWDULW-UHFFFAOYSA-N 2 1 343.515 3.134 20 0 EGADMP CC(C)(C)Oc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000865633041 1329723005 /nfs/dbraw/zinc/72/30/05/1329723005.db2.gz VZURJEUDBZRYCA-SFHVURJKSA-N 2 1 332.488 3.207 20 0 EGADMP CCC[NH+]1CCC(NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000934073507 1329944179 /nfs/dbraw/zinc/94/41/79/1329944179.db2.gz MJDXXWFGNWADDP-UHFFFAOYSA-N 2 1 345.491 3.068 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000934279122 1329961368 /nfs/dbraw/zinc/96/13/68/1329961368.db2.gz VXWRDAOPAYDINT-YZGWKJHDSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000934279122 1329961369 /nfs/dbraw/zinc/96/13/69/1329961369.db2.gz VXWRDAOPAYDINT-YZGWKJHDSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000934279122 1329961370 /nfs/dbraw/zinc/96/13/70/1329961370.db2.gz VXWRDAOPAYDINT-YZGWKJHDSA-N 2 1 343.515 3.029 20 0 EGADMP CC1(C)CC[NH2+]CC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000866697342 1330141921 /nfs/dbraw/zinc/14/19/21/1330141921.db2.gz NABCZGACOTYRNM-UHFFFAOYSA-N 2 1 325.456 3.235 20 0 EGADMP CC1(C)CC[NH2+]CC[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000866697342 1330141922 /nfs/dbraw/zinc/14/19/22/1330141922.db2.gz NABCZGACOTYRNM-UHFFFAOYSA-N 2 1 325.456 3.235 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000942172691 1331860065 /nfs/dbraw/zinc/86/00/65/1331860065.db2.gz MBHOJSPFNCHITD-QZTJIDSGSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000942518221 1331950676 /nfs/dbraw/zinc/95/06/76/1331950676.db2.gz ORLLLUCVVYUAKJ-MAUKXSAKSA-N 2 1 342.487 3.211 20 0 EGADMP C[C@H]1C[N@@H+](CC2CCCCC2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557364 1331971287 /nfs/dbraw/zinc/97/12/87/1331971287.db2.gz GGXILFIHCYETSO-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[N@@H+](CCCC2CCC2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821665 1332042072 /nfs/dbraw/zinc/04/20/72/1332042072.db2.gz GAJZFSQDIMXOSI-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[NH+](CCCC2CCC2)CC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821665 1332042074 /nfs/dbraw/zinc/04/20/74/1332042074.db2.gz GAJZFSQDIMXOSI-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[NH+](CCCC2CCC2)CC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821665 1332042077 /nfs/dbraw/zinc/04/20/77/1332042077.db2.gz GAJZFSQDIMXOSI-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1CCC(C)(C)C ZINC000947551546 1333169186 /nfs/dbraw/zinc/16/91/86/1333169186.db2.gz MHBHFDJUXGVJBH-WBVHZDCISA-N 2 1 342.487 3.353 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947569064 1333174740 /nfs/dbraw/zinc/17/47/40/1333174740.db2.gz RHVNOPVWWBSFEH-MJGOQNOKSA-N 2 1 345.531 3.029 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1CCCC1 ZINC000947616003 1333193992 /nfs/dbraw/zinc/19/39/92/1333193992.db2.gz NRRCIFJVCCDPKI-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCCC1CCCC1 ZINC000947684710 1333222411 /nfs/dbraw/zinc/22/24/11/1333222411.db2.gz JNKCECVXNRZOFW-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947907267 1333301766 /nfs/dbraw/zinc/30/17/66/1333301766.db2.gz FXMLUGCGLAILBC-XLIONFOSSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCC1CCCCC1 ZINC000947934831 1333312264 /nfs/dbraw/zinc/31/22/64/1333312264.db2.gz MPMGSTVYSUVQDP-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948057504 1333358711 /nfs/dbraw/zinc/35/87/11/1333358711.db2.gz WRDAGSIGBNAIIZ-APWZRJJASA-N 2 1 331.504 3.131 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCC(C)C)CC1 ZINC000948416309 1333516431 /nfs/dbraw/zinc/51/64/31/1333516431.db2.gz CMGOCOWPWXKNSI-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCC(C)C)CC1 ZINC000948416309 1333516432 /nfs/dbraw/zinc/51/64/32/1333516432.db2.gz CMGOCOWPWXKNSI-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCC(C)C)CC1 ZINC000948416309 1333516436 /nfs/dbraw/zinc/51/64/36/1333516436.db2.gz CMGOCOWPWXKNSI-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948591206 1333587291 /nfs/dbraw/zinc/58/72/91/1333587291.db2.gz SHPTXNBJNBHSCM-GOSISDBHSA-N 2 1 340.471 3.227 20 0 EGADMP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948591311 1333587677 /nfs/dbraw/zinc/58/76/77/1333587677.db2.gz UNTDSLYHUAPBIF-SFHVURJKSA-N 2 1 340.471 3.061 20 0 EGADMP CC[C@H](F)C[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948621470 1333600794 /nfs/dbraw/zinc/60/07/94/1333600794.db2.gz QOLXMJMISZRTFN-DLBZAZTESA-N 2 1 346.450 3.009 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948642834 1333609192 /nfs/dbraw/zinc/60/91/92/1333609192.db2.gz OJCUHVWBCAYAPQ-WOJBJXKFSA-N 2 1 347.547 3.140 20 0 EGADMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000948743506 1333655487 /nfs/dbraw/zinc/65/54/87/1333655487.db2.gz WDYRULHEUJVHQL-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000948755598 1333663747 /nfs/dbraw/zinc/66/37/47/1333663747.db2.gz FGUMUUDIPXIAGA-AZUAARDMSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000948755598 1333663749 /nfs/dbraw/zinc/66/37/49/1333663749.db2.gz FGUMUUDIPXIAGA-AZUAARDMSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CCC[NH+](CCC(C)(C)C)CC2)C1 ZINC000948765664 1333668060 /nfs/dbraw/zinc/66/80/60/1333668060.db2.gz AZDYNQSAYBOAMI-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@H+](CCC(C)(C)C)CC2)C1 ZINC000948765664 1333668063 /nfs/dbraw/zinc/66/80/63/1333668063.db2.gz AZDYNQSAYBOAMI-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@@H+](CCC(C)(C)C)CC2)C1 ZINC000948765664 1333668066 /nfs/dbraw/zinc/66/80/66/1333668066.db2.gz AZDYNQSAYBOAMI-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775383 1333673574 /nfs/dbraw/zinc/67/35/74/1333673574.db2.gz HGNTUNYNSYNDTD-MJGOQNOKSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000948775383 1333673575 /nfs/dbraw/zinc/67/35/75/1333673575.db2.gz HGNTUNYNSYNDTD-MJGOQNOKSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000948775383 1333673578 /nfs/dbraw/zinc/67/35/78/1333673578.db2.gz HGNTUNYNSYNDTD-MJGOQNOKSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948832779 1333702799 /nfs/dbraw/zinc/70/27/99/1333702799.db2.gz ANZYHDXDRBTCQE-HKUYNNGSSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000948858640 1333711995 /nfs/dbraw/zinc/71/19/95/1333711995.db2.gz MZMAMTUAXWCKIT-PMACEKPBSA-N 2 1 343.515 3.156 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000949042497 1333769728 /nfs/dbraw/zinc/76/97/28/1333769728.db2.gz JXYZCJNMIAIWSY-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000949308376 1333820672 /nfs/dbraw/zinc/82/06/72/1333820672.db2.gz VSSVFTGWAHZWDE-KRWDZBQOSA-N 2 1 348.450 3.162 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000951195443 1334203843 /nfs/dbraw/zinc/20/38/43/1334203843.db2.gz HHZQVRWYEVSILJ-ICSRJNTNSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000951195443 1334203845 /nfs/dbraw/zinc/20/38/45/1334203845.db2.gz HHZQVRWYEVSILJ-ICSRJNTNSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@H]1CC[N@@H+](CCC(C)(C)C)C[C@@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000967265124 1335681303 /nfs/dbraw/zinc/68/13/03/1335681303.db2.gz SINBFNRFWAEWMP-YJBOKZPZSA-N 2 1 342.487 3.211 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCCC3)CC[C@@H]2C)CC1 ZINC000968492343 1335941098 /nfs/dbraw/zinc/94/10/98/1335941098.db2.gz IBPGYZUEMKIITI-FXAWDEMLSA-N 2 1 349.563 3.124 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1Cc1ccccc1 ZINC000968920843 1336090000 /nfs/dbraw/zinc/09/00/00/1336090000.db2.gz ZQPJWUGELWWMNB-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1Cc1ccccc1 ZINC000968920843 1336090005 /nfs/dbraw/zinc/09/00/05/1336090005.db2.gz ZQPJWUGELWWMNB-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000968920843 1336090008 /nfs/dbraw/zinc/09/00/08/1336090008.db2.gz ZQPJWUGELWWMNB-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1ccccc1 ZINC000968920843 1336090013 /nfs/dbraw/zinc/09/00/13/1336090013.db2.gz ZQPJWUGELWWMNB-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928631 1336093144 /nfs/dbraw/zinc/09/31/44/1336093144.db2.gz QHAJUOGTFYWPGW-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000968928631 1336093149 /nfs/dbraw/zinc/09/31/49/1336093149.db2.gz QHAJUOGTFYWPGW-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC000968928631 1336093150 /nfs/dbraw/zinc/09/31/50/1336093150.db2.gz QHAJUOGTFYWPGW-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC=C(C)C)C1 ZINC000968991132 1336112415 /nfs/dbraw/zinc/11/24/15/1336112415.db2.gz WAURNUSADDMREX-VQTJNVASSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC=C(C)C)C1 ZINC000968991132 1336112416 /nfs/dbraw/zinc/11/24/16/1336112416.db2.gz WAURNUSADDMREX-VQTJNVASSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC=C(C)C)C1 ZINC000968991132 1336112417 /nfs/dbraw/zinc/11/24/17/1336112417.db2.gz WAURNUSADDMREX-VQTJNVASSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CC1 ZINC000969059093 1336133174 /nfs/dbraw/zinc/13/31/74/1336133174.db2.gz FWBGZONBCRLPBS-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CC1 ZINC000969059093 1336133175 /nfs/dbraw/zinc/13/31/75/1336133175.db2.gz FWBGZONBCRLPBS-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CC1 ZINC000969059093 1336133177 /nfs/dbraw/zinc/13/31/77/1336133177.db2.gz FWBGZONBCRLPBS-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCC1 ZINC000969059867 1336133661 /nfs/dbraw/zinc/13/36/61/1336133661.db2.gz TWLHJBYDZQLCEI-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCC1 ZINC000969059867 1336133664 /nfs/dbraw/zinc/13/36/64/1336133664.db2.gz TWLHJBYDZQLCEI-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCC1 ZINC000969059867 1336133666 /nfs/dbraw/zinc/13/36/66/1336133666.db2.gz TWLHJBYDZQLCEI-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969060257 1336133695 /nfs/dbraw/zinc/13/36/95/1336133695.db2.gz XYVAYPXKZGMBCB-RBUKOAKNSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000969060257 1336133696 /nfs/dbraw/zinc/13/36/96/1336133696.db2.gz XYVAYPXKZGMBCB-RBUKOAKNSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000969060257 1336133701 /nfs/dbraw/zinc/13/37/01/1336133701.db2.gz XYVAYPXKZGMBCB-RBUKOAKNSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969060254 1336133944 /nfs/dbraw/zinc/13/39/44/1336133944.db2.gz XYVAYPXKZGMBCB-MOPGFXCFSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000969060254 1336133946 /nfs/dbraw/zinc/13/39/46/1336133946.db2.gz XYVAYPXKZGMBCB-MOPGFXCFSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000969060254 1336133948 /nfs/dbraw/zinc/13/39/48/1336133948.db2.gz XYVAYPXKZGMBCB-MOPGFXCFSA-N 2 1 337.552 3.410 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000969109219 1336147491 /nfs/dbraw/zinc/14/74/91/1336147491.db2.gz XVDJYOBSJXINMA-HXUWFJFHSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC2CCCCCC2)C1 ZINC000969144243 1336160720 /nfs/dbraw/zinc/16/07/20/1336160720.db2.gz HQMHKDNRSZQMIS-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC2CCCCCC2)C1 ZINC000969144243 1336160721 /nfs/dbraw/zinc/16/07/21/1336160721.db2.gz HQMHKDNRSZQMIS-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC2CCCCCC2)C1 ZINC000969144243 1336160722 /nfs/dbraw/zinc/16/07/22/1336160722.db2.gz HQMHKDNRSZQMIS-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCC1 ZINC000969156575 1336165582 /nfs/dbraw/zinc/16/55/82/1336165582.db2.gz WWXYQSIPZRFPOP-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCC1 ZINC000969156575 1336165585 /nfs/dbraw/zinc/16/55/85/1336165585.db2.gz WWXYQSIPZRFPOP-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCC1 ZINC000969156575 1336165586 /nfs/dbraw/zinc/16/55/86/1336165586.db2.gz WWXYQSIPZRFPOP-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1cc(Br)cc(C)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205317690 1370719542 /nfs/dbraw/zinc/71/95/42/1370719542.db2.gz PNDQOCPOIYHVII-FZMZJTMJSA-N 2 1 325.294 3.483 20 0 EGADMP Cc1cc(Br)cc(C)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205317690 1370719550 /nfs/dbraw/zinc/71/95/50/1370719550.db2.gz PNDQOCPOIYHVII-FZMZJTMJSA-N 2 1 325.294 3.483 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1 ZINC000970719505 1336335694 /nfs/dbraw/zinc/33/56/94/1336335694.db2.gz SBBZTDGYQQJIIY-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001006002045 1336435900 /nfs/dbraw/zinc/43/59/00/1336435900.db2.gz SWFUMQLCYSELCX-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001007455037 1336649763 /nfs/dbraw/zinc/64/97/63/1336649763.db2.gz BUASWEWCWPDHRP-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001007455037 1336649769 /nfs/dbraw/zinc/64/97/69/1336649769.db2.gz BUASWEWCWPDHRP-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001007455037 1336649771 /nfs/dbraw/zinc/64/97/71/1336649771.db2.gz BUASWEWCWPDHRP-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001007456436 1336650383 /nfs/dbraw/zinc/65/03/83/1336650383.db2.gz GUPLLABKSXQSHS-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001007456436 1336650386 /nfs/dbraw/zinc/65/03/86/1336650386.db2.gz GUPLLABKSXQSHS-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007499168 1336658292 /nfs/dbraw/zinc/65/82/92/1336658292.db2.gz OLSXSLZVCGPFHR-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007499168 1336658293 /nfs/dbraw/zinc/65/82/93/1336658293.db2.gz OLSXSLZVCGPFHR-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007499168 1336658294 /nfs/dbraw/zinc/65/82/94/1336658294.db2.gz OLSXSLZVCGPFHR-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007501187 1336658789 /nfs/dbraw/zinc/65/87/89/1336658789.db2.gz WMECXOVLJRPEFX-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007501187 1336658791 /nfs/dbraw/zinc/65/87/91/1336658791.db2.gz WMECXOVLJRPEFX-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007501187 1336658793 /nfs/dbraw/zinc/65/87/93/1336658793.db2.gz WMECXOVLJRPEFX-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001007648876 1336683926 /nfs/dbraw/zinc/68/39/26/1336683926.db2.gz VFUQUJYUEXHRSZ-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001007648876 1336683927 /nfs/dbraw/zinc/68/39/27/1336683927.db2.gz VFUQUJYUEXHRSZ-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001007648876 1336683929 /nfs/dbraw/zinc/68/39/29/1336683929.db2.gz VFUQUJYUEXHRSZ-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP Cc1c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001007723202 1336690847 /nfs/dbraw/zinc/69/08/47/1336690847.db2.gz OIGJRBNDNXQEDF-SFHVURJKSA-N 2 1 348.450 3.037 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007747699 1336694127 /nfs/dbraw/zinc/69/41/27/1336694127.db2.gz RDUVHVDSVIULHO-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001007747699 1336694131 /nfs/dbraw/zinc/69/41/31/1336694131.db2.gz RDUVHVDSVIULHO-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001007747699 1336694134 /nfs/dbraw/zinc/69/41/34/1336694134.db2.gz RDUVHVDSVIULHO-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[N@H+](Cc2cc(Br)cnc2Cl)CCC[C@@H]1C[NH3+] ZINC001206003477 1370935189 /nfs/dbraw/zinc/93/51/89/1370935189.db2.gz IIUOCWZJABMZSZ-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc(Br)cnc2Cl)CCC[C@@H]1C[NH3+] ZINC001206003477 1370935199 /nfs/dbraw/zinc/93/51/99/1370935199.db2.gz IIUOCWZJABMZSZ-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001008736988 1336918310 /nfs/dbraw/zinc/91/83/10/1336918310.db2.gz JCBUGXBEMCCJMN-QGZVFWFLSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001008736988 1336918311 /nfs/dbraw/zinc/91/83/11/1336918311.db2.gz JCBUGXBEMCCJMN-QGZVFWFLSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1nccn1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001008737877 1336918534 /nfs/dbraw/zinc/91/85/34/1336918534.db2.gz OIAVORSYHRERCG-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001008737877 1336918535 /nfs/dbraw/zinc/91/85/35/1336918535.db2.gz OIAVORSYHRERCG-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001008737877 1336918537 /nfs/dbraw/zinc/91/85/37/1336918537.db2.gz OIAVORSYHRERCG-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1nccn1CC(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001008737878 1336918557 /nfs/dbraw/zinc/91/85/57/1336918557.db2.gz OIAVORSYHRERCG-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001008737878 1336918559 /nfs/dbraw/zinc/91/85/59/1336918559.db2.gz OIAVORSYHRERCG-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001008737878 1336918560 /nfs/dbraw/zinc/91/85/60/1336918560.db2.gz OIAVORSYHRERCG-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001009636620 1337050374 /nfs/dbraw/zinc/05/03/74/1337050374.db2.gz NOYMIOZQQMXHLJ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001009636620 1337050378 /nfs/dbraw/zinc/05/03/78/1337050378.db2.gz NOYMIOZQQMXHLJ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001009636620 1337050382 /nfs/dbraw/zinc/05/03/82/1337050382.db2.gz NOYMIOZQQMXHLJ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1cccc2cc(Br)cnc21 ZINC001206263082 1371007392 /nfs/dbraw/zinc/00/73/92/1371007392.db2.gz NJQURLAWYYZBCS-LBPRGKRZSA-N 2 1 334.261 3.181 20 0 EGADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cccc2cc(Br)cnc21 ZINC001206263082 1371007397 /nfs/dbraw/zinc/00/73/97/1371007397.db2.gz NJQURLAWYYZBCS-LBPRGKRZSA-N 2 1 334.261 3.181 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Br)c(O)c2)CC1 ZINC001206327056 1371023721 /nfs/dbraw/zinc/02/37/21/1371023721.db2.gz RVCPWGSMRZONSG-HNNXBMFYSA-N 2 1 327.266 3.106 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014636607 1337855318 /nfs/dbraw/zinc/85/53/18/1337855318.db2.gz ZCIBJYAXYCNBLC-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001014636607 1337855323 /nfs/dbraw/zinc/85/53/23/1337855323.db2.gz ZCIBJYAXYCNBLC-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001014636607 1337855327 /nfs/dbraw/zinc/85/53/27/1337855327.db2.gz ZCIBJYAXYCNBLC-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1cc(C[NH+]2CC[C@H](NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)cs1 ZINC001014724864 1337885699 /nfs/dbraw/zinc/88/56/99/1337885699.db2.gz XRFQRZULCHWNBL-ROUUACIJSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)cs1 ZINC001014724864 1337885704 /nfs/dbraw/zinc/88/57/04/1337885704.db2.gz XRFQRZULCHWNBL-ROUUACIJSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)cs1 ZINC001014724864 1337885708 /nfs/dbraw/zinc/88/57/08/1337885708.db2.gz XRFQRZULCHWNBL-ROUUACIJSA-N 2 1 349.544 3.010 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014724659 1337885913 /nfs/dbraw/zinc/88/59/13/1337885913.db2.gz WOTMVQHIBDWEIK-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001014724659 1337885915 /nfs/dbraw/zinc/88/59/15/1337885915.db2.gz WOTMVQHIBDWEIK-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001014724659 1337885920 /nfs/dbraw/zinc/88/59/20/1337885920.db2.gz WOTMVQHIBDWEIK-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CC2=CCCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001014724941 1337886803 /nfs/dbraw/zinc/88/68/03/1337886803.db2.gz YBQBLXLYMWWKHR-QUCCMNQESA-N 2 1 345.531 3.084 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CC2=CCCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001014724941 1337886812 /nfs/dbraw/zinc/88/68/12/1337886812.db2.gz YBQBLXLYMWWKHR-QUCCMNQESA-N 2 1 345.531 3.084 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CC2=CCCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001014724941 1337886818 /nfs/dbraw/zinc/88/68/18/1337886818.db2.gz YBQBLXLYMWWKHR-QUCCMNQESA-N 2 1 345.531 3.084 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014964727 1337970002 /nfs/dbraw/zinc/97/00/02/1337970002.db2.gz RHHGUFNLNXOPSO-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001014964727 1337970006 /nfs/dbraw/zinc/97/00/06/1337970006.db2.gz RHHGUFNLNXOPSO-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001014964727 1337970007 /nfs/dbraw/zinc/97/00/07/1337970007.db2.gz RHHGUFNLNXOPSO-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603312 1338204418 /nfs/dbraw/zinc/20/44/18/1338204418.db2.gz RCOHCAJCNCJTSN-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603312 1338204421 /nfs/dbraw/zinc/20/44/21/1338204421.db2.gz RCOHCAJCNCJTSN-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603312 1338204424 /nfs/dbraw/zinc/20/44/24/1338204424.db2.gz RCOHCAJCNCJTSN-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](CCC3CCCC3)C2)c1 ZINC001016322640 1338549149 /nfs/dbraw/zinc/54/91/49/1338549149.db2.gz KDNOLDHIYBPHDA-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016660744 1338681777 /nfs/dbraw/zinc/68/17/77/1338681777.db2.gz AWSYKXBKPGKWRO-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001017594076 1339374620 /nfs/dbraw/zinc/37/46/20/1339374620.db2.gz MPBLRUIDRNUFLM-BHYGNILZSA-N 2 1 349.544 3.145 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001017594076 1339374625 /nfs/dbraw/zinc/37/46/25/1339374625.db2.gz MPBLRUIDRNUFLM-BHYGNILZSA-N 2 1 349.544 3.145 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001017617257 1339377637 /nfs/dbraw/zinc/37/76/37/1339377637.db2.gz KUNBPKQLKKEDDV-AQNXPRMDSA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001017617257 1339377642 /nfs/dbraw/zinc/37/76/42/1339377642.db2.gz KUNBPKQLKKEDDV-AQNXPRMDSA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001017617257 1339377643 /nfs/dbraw/zinc/37/76/43/1339377643.db2.gz KUNBPKQLKKEDDV-AQNXPRMDSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001018026194 1339485117 /nfs/dbraw/zinc/48/51/17/1339485117.db2.gz YTUQQBBYCOXTRM-HDICACEKSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001018026194 1339485120 /nfs/dbraw/zinc/48/51/20/1339485120.db2.gz YTUQQBBYCOXTRM-HDICACEKSA-N 2 1 346.519 3.118 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018051904 1339490920 /nfs/dbraw/zinc/49/09/20/1339490920.db2.gz LLFPYTQCOOYFMT-ZRNYENFQSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccsc1 ZINC001028181112 1340470657 /nfs/dbraw/zinc/47/06/57/1340470657.db2.gz NTEWTMWJFZGFRC-ROUUACIJSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccsc1 ZINC001028181112 1340470667 /nfs/dbraw/zinc/47/06/67/1340470667.db2.gz NTEWTMWJFZGFRC-ROUUACIJSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccsc1 ZINC001028181112 1340470671 /nfs/dbraw/zinc/47/06/71/1340470671.db2.gz NTEWTMWJFZGFRC-ROUUACIJSA-N 2 1 349.544 3.092 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCC(C)(C)C)cc1 ZINC001028202958 1340481885 /nfs/dbraw/zinc/48/18/85/1340481885.db2.gz LJEZMALRLYYGLD-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCC1 ZINC001028252568 1340513357 /nfs/dbraw/zinc/51/33/57/1340513357.db2.gz YCIBSCZNNRPOSA-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001028252568 1340513364 /nfs/dbraw/zinc/51/33/64/1340513364.db2.gz YCIBSCZNNRPOSA-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1 ZINC001028252568 1340513369 /nfs/dbraw/zinc/51/33/69/1340513369.db2.gz YCIBSCZNNRPOSA-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028254427 1340514790 /nfs/dbraw/zinc/51/47/90/1340514790.db2.gz UUBYPDMWKQCDCS-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCC1 ZINC001028335171 1340572074 /nfs/dbraw/zinc/57/20/74/1340572074.db2.gz OZWGJVWHESSEOR-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC001028335171 1340572079 /nfs/dbraw/zinc/57/20/79/1340572079.db2.gz OZWGJVWHESSEOR-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCCC1 ZINC001028335171 1340572080 /nfs/dbraw/zinc/57/20/80/1340572080.db2.gz OZWGJVWHESSEOR-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001029100614 1340930068 /nfs/dbraw/zinc/93/00/68/1340930068.db2.gz KPQWLAWLBZIVMM-HKUYNNGSSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001029108408 1340931771 /nfs/dbraw/zinc/93/17/71/1340931771.db2.gz HLVKODTUSSRUDQ-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001029146282 1340942698 /nfs/dbraw/zinc/94/26/98/1340942698.db2.gz IEMJBTCZZVDZJD-ROUUACIJSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001029306285 1340969737 /nfs/dbraw/zinc/96/97/37/1340969737.db2.gz OKWQIKTZLXROJQ-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001029306285 1340969738 /nfs/dbraw/zinc/96/97/38/1340969738.db2.gz OKWQIKTZLXROJQ-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001029306285 1340969739 /nfs/dbraw/zinc/96/97/39/1340969739.db2.gz OKWQIKTZLXROJQ-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001029330239 1340972921 /nfs/dbraw/zinc/97/29/21/1340972921.db2.gz JASGFJQRFRAHMP-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001029330239 1340972922 /nfs/dbraw/zinc/97/29/22/1340972922.db2.gz JASGFJQRFRAHMP-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001029330239 1340972923 /nfs/dbraw/zinc/97/29/23/1340972923.db2.gz JASGFJQRFRAHMP-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001029344082 1340974709 /nfs/dbraw/zinc/97/47/09/1340974709.db2.gz GNLUELOKGZVHRS-AQNXPRMDSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001029344082 1340974710 /nfs/dbraw/zinc/97/47/10/1340974710.db2.gz GNLUELOKGZVHRS-AQNXPRMDSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001029344082 1340974712 /nfs/dbraw/zinc/97/47/12/1340974712.db2.gz GNLUELOKGZVHRS-AQNXPRMDSA-N 2 1 345.531 3.036 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029738733 1341059270 /nfs/dbraw/zinc/05/92/70/1341059270.db2.gz CQCCCSLNSCBEPH-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029738733 1341059271 /nfs/dbraw/zinc/05/92/71/1341059271.db2.gz CQCCCSLNSCBEPH-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029738733 1341059272 /nfs/dbraw/zinc/05/92/72/1341059272.db2.gz CQCCCSLNSCBEPH-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1)CC1CCCCC1 ZINC001029842634 1341092905 /nfs/dbraw/zinc/09/29/05/1341092905.db2.gz UKVWGKYSUHBQEZ-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1)CC1CCCCC1 ZINC001029842634 1341092906 /nfs/dbraw/zinc/09/29/06/1341092906.db2.gz UKVWGKYSUHBQEZ-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1)CC1CCCCC1 ZINC001029842634 1341092907 /nfs/dbraw/zinc/09/29/07/1341092907.db2.gz UKVWGKYSUHBQEZ-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCCC2)C1)[NH+](C)C ZINC001029844082 1341093046 /nfs/dbraw/zinc/09/30/46/1341093046.db2.gz VVFNBEQFYUZIGR-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001029909991 1341113171 /nfs/dbraw/zinc/11/31/71/1341113171.db2.gz UTVDGKXFFPKDBD-HXUWFJFHSA-N 2 1 347.547 3.143 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1)[NH+]1CCCC1 ZINC001029910449 1341113903 /nfs/dbraw/zinc/11/39/03/1341113903.db2.gz LUFABTAKDVXSSD-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc2cccc(C)c2)CC1)[NH+](C)C ZINC001029996817 1341151468 /nfs/dbraw/zinc/15/14/68/1341151468.db2.gz NNKAHZJVGWEOCN-FQEVSTJZSA-N 2 1 345.531 3.006 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030444769 1341187974 /nfs/dbraw/zinc/18/79/74/1341187974.db2.gz MTXAINKENHWSBR-UXHICEINSA-N 2 1 343.515 3.201 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001030444769 1341187975 /nfs/dbraw/zinc/18/79/75/1341187975.db2.gz MTXAINKENHWSBR-UXHICEINSA-N 2 1 343.515 3.201 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC2CCCCCC2)C1 ZINC001031050657 1341270257 /nfs/dbraw/zinc/27/02/57/1341270257.db2.gz SIYZWFGKZWOWPY-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001031081957 1341275600 /nfs/dbraw/zinc/27/56/00/1341275600.db2.gz DYBKPTBSSSYNTR-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001031081957 1341275603 /nfs/dbraw/zinc/27/56/03/1341275603.db2.gz DYBKPTBSSSYNTR-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP CCC(CC)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031673234 1341386667 /nfs/dbraw/zinc/38/66/67/1341386667.db2.gz BBRGNOXTEIQLOL-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC(CC)CC)C1 ZINC001032119159 1341458673 /nfs/dbraw/zinc/45/86/73/1341458673.db2.gz HOFNTBWUSHGLBV-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033074311 1341716079 /nfs/dbraw/zinc/71/60/79/1341716079.db2.gz YDXSPAPNXVWEKS-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033074311 1341716080 /nfs/dbraw/zinc/71/60/80/1341716080.db2.gz YDXSPAPNXVWEKS-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033074311 1341716081 /nfs/dbraw/zinc/71/60/81/1341716081.db2.gz YDXSPAPNXVWEKS-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001033144143 1341738203 /nfs/dbraw/zinc/73/82/03/1341738203.db2.gz SDJSYXBIXRWFAV-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCCC3CCC3)C2)C1 ZINC001033144143 1341738204 /nfs/dbraw/zinc/73/82/04/1341738204.db2.gz SDJSYXBIXRWFAV-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001033144143 1341738205 /nfs/dbraw/zinc/73/82/05/1341738205.db2.gz SDJSYXBIXRWFAV-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033145574 1341738756 /nfs/dbraw/zinc/73/87/56/1341738756.db2.gz IGDWOVNOYNGRBH-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033145574 1341738757 /nfs/dbraw/zinc/73/87/57/1341738757.db2.gz IGDWOVNOYNGRBH-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033145574 1341738758 /nfs/dbraw/zinc/73/87/58/1341738758.db2.gz IGDWOVNOYNGRBH-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001033213130 1341754404 /nfs/dbraw/zinc/75/44/04/1341754404.db2.gz HEXUFLAGTYMJPZ-QGZVFWFLSA-N 2 1 342.487 3.225 20 0 EGADMP CC1CCC(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)CC1 ZINC001033427045 1341822055 /nfs/dbraw/zinc/82/20/55/1341822055.db2.gz XIQQOVYRYSMCDO-CTWPCTMYSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CCC(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001033427045 1341822057 /nfs/dbraw/zinc/82/20/57/1341822057.db2.gz XIQQOVYRYSMCDO-CTWPCTMYSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CCC(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001033427045 1341822058 /nfs/dbraw/zinc/82/20/58/1341822058.db2.gz XIQQOVYRYSMCDO-CTWPCTMYSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033472230 1341840145 /nfs/dbraw/zinc/84/01/45/1341840145.db2.gz UOYUAZZQGZTJMK-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033472230 1341840147 /nfs/dbraw/zinc/84/01/47/1341840147.db2.gz UOYUAZZQGZTJMK-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033472230 1341840149 /nfs/dbraw/zinc/84/01/49/1341840149.db2.gz UOYUAZZQGZTJMK-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC001033530839 1341860579 /nfs/dbraw/zinc/86/05/79/1341860579.db2.gz HEQAGVWGBPTCFP-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001033546841 1341866024 /nfs/dbraw/zinc/86/60/24/1341866024.db2.gz GTNJOJQLOFUANI-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033665737 1341935321 /nfs/dbraw/zinc/93/53/21/1341935321.db2.gz QEXLZELTPNJKCT-CVEARBPZSA-N 2 1 349.906 3.030 20 0 EGADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033665737 1341935324 /nfs/dbraw/zinc/93/53/24/1341935324.db2.gz QEXLZELTPNJKCT-CVEARBPZSA-N 2 1 349.906 3.030 20 0 EGADMP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033684783 1341950881 /nfs/dbraw/zinc/95/08/81/1341950881.db2.gz QMNKRVOFKCNADE-HXUWFJFHSA-N 2 1 343.515 3.085 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033686562 1341951896 /nfs/dbraw/zinc/95/18/96/1341951896.db2.gz QQTJEAODDIXCOJ-IBGZPJMESA-N 2 1 345.531 3.331 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033826524 1342027325 /nfs/dbraw/zinc/02/73/25/1342027325.db2.gz QRHDPOCDIUQYBM-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033826524 1342027328 /nfs/dbraw/zinc/02/73/28/1342027328.db2.gz QRHDPOCDIUQYBM-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033826524 1342027331 /nfs/dbraw/zinc/02/73/31/1342027331.db2.gz QRHDPOCDIUQYBM-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033937500 1342099496 /nfs/dbraw/zinc/09/94/96/1342099496.db2.gz MLWCHAZYRVLBDQ-WDSOQIARSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033937500 1342099500 /nfs/dbraw/zinc/09/95/00/1342099500.db2.gz MLWCHAZYRVLBDQ-WDSOQIARSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033937500 1342099502 /nfs/dbraw/zinc/09/95/02/1342099502.db2.gz MLWCHAZYRVLBDQ-WDSOQIARSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001034046211 1342186422 /nfs/dbraw/zinc/18/64/22/1342186422.db2.gz QPVVECZCSOYRMW-FQEVSTJZSA-N 2 1 345.531 3.331 20 0 EGADMP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034251286 1342348003 /nfs/dbraw/zinc/34/80/03/1342348003.db2.gz YFSHHTFDNPKBFQ-QZTJIDSGSA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034251286 1342348006 /nfs/dbraw/zinc/34/80/06/1342348006.db2.gz YFSHHTFDNPKBFQ-QZTJIDSGSA-N 2 1 346.519 3.167 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034273035 1342363514 /nfs/dbraw/zinc/36/35/14/1342363514.db2.gz YYQIATLFBCPYGZ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034273035 1342363519 /nfs/dbraw/zinc/36/35/19/1342363519.db2.gz YYQIATLFBCPYGZ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034273035 1342363523 /nfs/dbraw/zinc/36/35/23/1342363523.db2.gz YYQIATLFBCPYGZ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034273035 1342363527 /nfs/dbraw/zinc/36/35/27/1342363527.db2.gz YYQIATLFBCPYGZ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034287967 1342375146 /nfs/dbraw/zinc/37/51/46/1342375146.db2.gz JRMSDCAFYJGCKJ-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034287967 1342375147 /nfs/dbraw/zinc/37/51/47/1342375147.db2.gz JRMSDCAFYJGCKJ-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034287967 1342375150 /nfs/dbraw/zinc/37/51/50/1342375150.db2.gz JRMSDCAFYJGCKJ-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289021 1342375542 /nfs/dbraw/zinc/37/55/42/1342375542.db2.gz RPJFYSQCYMKKHA-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034289021 1342375544 /nfs/dbraw/zinc/37/55/44/1342375544.db2.gz RPJFYSQCYMKKHA-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034289021 1342375547 /nfs/dbraw/zinc/37/55/47/1342375547.db2.gz RPJFYSQCYMKKHA-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3CCCC3)C2)C1 ZINC001034367105 1342437195 /nfs/dbraw/zinc/43/71/95/1342437195.db2.gz DACHGEDESXIDKU-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCCC[N@H+](CC3CCCC3)C2)C1 ZINC001034367105 1342437197 /nfs/dbraw/zinc/43/71/97/1342437197.db2.gz DACHGEDESXIDKU-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CCCC3)C2)C1 ZINC001034367105 1342437201 /nfs/dbraw/zinc/43/72/01/1342437201.db2.gz DACHGEDESXIDKU-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](CCC3CCCC3)C2)CC[N@H+]1C ZINC001034370990 1342440785 /nfs/dbraw/zinc/44/07/85/1342440785.db2.gz PUBSVVUKPJRPKW-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCC3CCCC3)C2)CC[NH+]1C ZINC001034370990 1342440788 /nfs/dbraw/zinc/44/07/88/1342440788.db2.gz PUBSVVUKPJRPKW-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCC3CCCC3)C2)CC[NH+]1C ZINC001034370990 1342440795 /nfs/dbraw/zinc/44/07/95/1342440795.db2.gz PUBSVVUKPJRPKW-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP CC1CCC(C[N@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001034386597 1342454431 /nfs/dbraw/zinc/45/44/31/1342454431.db2.gz SXNVFDGDKZDLCZ-AFMYVXGZSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034396395 1342465237 /nfs/dbraw/zinc/46/52/37/1342465237.db2.gz FIWNGPHEPCIVOW-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034396395 1342465239 /nfs/dbraw/zinc/46/52/39/1342465239.db2.gz FIWNGPHEPCIVOW-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034396395 1342465241 /nfs/dbraw/zinc/46/52/41/1342465241.db2.gz FIWNGPHEPCIVOW-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](CCC3CCCC3)C2)C1 ZINC001034400913 1342466108 /nfs/dbraw/zinc/46/61/08/1342466108.db2.gz YQUAHGHQRXCZMJ-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CCC3CCCC3)C2)C1 ZINC001034400913 1342466113 /nfs/dbraw/zinc/46/61/13/1342466113.db2.gz YQUAHGHQRXCZMJ-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CCC3CCCC3)C2)C1 ZINC001034400913 1342466118 /nfs/dbraw/zinc/46/61/18/1342466118.db2.gz YQUAHGHQRXCZMJ-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2CCCC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001034432075 1342494353 /nfs/dbraw/zinc/49/43/53/1342494353.db2.gz SLZDVLKSROVKHA-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034438202 1342500391 /nfs/dbraw/zinc/50/03/91/1342500391.db2.gz LMXHTOSJKIEMIP-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCC2)C1 ZINC001034438202 1342500395 /nfs/dbraw/zinc/50/03/95/1342500395.db2.gz LMXHTOSJKIEMIP-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCC2)C1 ZINC001034438202 1342500398 /nfs/dbraw/zinc/50/03/98/1342500398.db2.gz LMXHTOSJKIEMIP-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CCCC[N@@H+](CCC2CC2)C1)[NH+]1CCCCCC1 ZINC001034438408 1342500521 /nfs/dbraw/zinc/50/05/21/1342500521.db2.gz NKPHLECQPUFJBD-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445522 1342506244 /nfs/dbraw/zinc/50/62/44/1342506244.db2.gz VCUDZJMDXOLKMA-IBGZPJMESA-N 2 1 331.504 3.133 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CC2)C1 ZINC001034481934 1342538322 /nfs/dbraw/zinc/53/83/22/1342538322.db2.gz XTDVLVYQZBSWDQ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CC2)C1 ZINC001034481934 1342538325 /nfs/dbraw/zinc/53/83/25/1342538325.db2.gz XTDVLVYQZBSWDQ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CC2)C1 ZINC001034481934 1342538329 /nfs/dbraw/zinc/53/83/29/1342538329.db2.gz XTDVLVYQZBSWDQ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC2)C1 ZINC001034481931 1342539080 /nfs/dbraw/zinc/53/90/80/1342539080.db2.gz XTDVLVYQZBSWDQ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CC2)C1 ZINC001034481931 1342539083 /nfs/dbraw/zinc/53/90/83/1342539083.db2.gz XTDVLVYQZBSWDQ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CC2)C1 ZINC001034481931 1342539086 /nfs/dbraw/zinc/53/90/86/1342539086.db2.gz XTDVLVYQZBSWDQ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCCC[N@@H+](CC2CCC2)C1 ZINC001034540216 1342599209 /nfs/dbraw/zinc/59/92/09/1342599209.db2.gz GSWZQIYFKSKHJD-IBGZPJMESA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1 ZINC001034642769 1342668315 /nfs/dbraw/zinc/66/83/15/1342668315.db2.gz LDGKTDNSWMGTGL-VAMGGRTRSA-N 2 1 343.515 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001034659182 1342676225 /nfs/dbraw/zinc/67/62/25/1342676225.db2.gz OLAJMAZXDAHJAD-BZSNNMDCSA-N 2 1 349.544 3.140 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034663439 1342678048 /nfs/dbraw/zinc/67/80/48/1342678048.db2.gz YNYQZIOGVVUHTE-VAMGGRTRSA-N 2 1 349.563 3.457 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034663438 1342678311 /nfs/dbraw/zinc/67/83/11/1342678311.db2.gz YNYQZIOGVVUHTE-UFYCRDLUSA-N 2 1 349.563 3.457 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC001034672375 1342683197 /nfs/dbraw/zinc/68/31/97/1342683197.db2.gz LKCXEJXSQQOGQD-LEAZDLGRSA-N 2 1 343.515 3.249 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001034797077 1342763127 /nfs/dbraw/zinc/76/31/27/1342763127.db2.gz VQMDLMARGAMQML-VAMGGRTRSA-N 2 1 347.547 3.378 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCC2)C1 ZINC001034958138 1342852296 /nfs/dbraw/zinc/85/22/96/1342852296.db2.gz BECYQEBROWFADT-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001034959068 1342853456 /nfs/dbraw/zinc/85/34/56/1342853456.db2.gz QINOCNFQKKWASV-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001034982209 1342864133 /nfs/dbraw/zinc/86/41/33/1342864133.db2.gz YLCUZFKDDSZNMW-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001035256639 1343082681 /nfs/dbraw/zinc/08/26/81/1343082681.db2.gz LDTFIISOYIANGL-UHFFFAOYSA-N 2 1 347.547 3.143 20 0 EGADMP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001035710120 1343146074 /nfs/dbraw/zinc/14/60/74/1343146074.db2.gz JAVJNFRXYUIJDM-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC2CCC2)C1 ZINC001036451276 1343494967 /nfs/dbraw/zinc/49/49/67/1343494967.db2.gz SFGVWEBVTUTCQE-AEFFLSMTSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036793943 1343726804 /nfs/dbraw/zinc/72/68/04/1343726804.db2.gz NDPIOGCBTXRUEX-MSOLQXFVSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1[NH2+]C(C)C ZINC001037937379 1344191637 /nfs/dbraw/zinc/19/16/37/1344191637.db2.gz WJZOUVLKWBWMHW-IRXDYDNUSA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038354600 1344395577 /nfs/dbraw/zinc/39/55/77/1344395577.db2.gz VMKDUSRAPJCPAY-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038354600 1344395580 /nfs/dbraw/zinc/39/55/80/1344395580.db2.gz VMKDUSRAPJCPAY-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038354600 1344395584 /nfs/dbraw/zinc/39/55/84/1344395584.db2.gz VMKDUSRAPJCPAY-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1c(C(=O)NC[C@H]2CC[N@H+]2CCC2CCCC2)ccc2c[nH+]cn21 ZINC001038432572 1344426226 /nfs/dbraw/zinc/42/62/26/1344426226.db2.gz RZGRISWLFFBLMW-QGZVFWFLSA-N 2 1 340.471 3.027 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CCCC1CCCC1)c1ccc2c[nH+]cn2c1 ZINC001038520472 1344464053 /nfs/dbraw/zinc/46/40/53/1344464053.db2.gz QRTLSXNFNLYKTI-IBGZPJMESA-N 2 1 340.471 3.109 20 0 EGADMP C[NH+](C)CCc1ccccc1C(=O)NC[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001038554936 1344481351 /nfs/dbraw/zinc/48/13/51/1344481351.db2.gz IPZLVTJIZHASPT-SFHVURJKSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038622694 1344508924 /nfs/dbraw/zinc/50/89/24/1344508924.db2.gz NUVGFNZQDUMBDF-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038622694 1344508930 /nfs/dbraw/zinc/50/89/30/1344508930.db2.gz NUVGFNZQDUMBDF-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001038622694 1344508932 /nfs/dbraw/zinc/50/89/32/1344508932.db2.gz NUVGFNZQDUMBDF-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CC2(CCC2)C1 ZINC001038783374 1344582248 /nfs/dbraw/zinc/58/22/48/1344582248.db2.gz WVVQSQOJKWXILI-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001038783374 1344582251 /nfs/dbraw/zinc/58/22/51/1344582251.db2.gz WVVQSQOJKWXILI-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001038783374 1344582253 /nfs/dbraw/zinc/58/22/53/1344582253.db2.gz WVVQSQOJKWXILI-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC(CC)CC ZINC001038907728 1344646255 /nfs/dbraw/zinc/64/62/55/1344646255.db2.gz DQNKBOYYRZUMIH-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC(CC)CC ZINC001038907728 1344646258 /nfs/dbraw/zinc/64/62/58/1344646258.db2.gz DQNKBOYYRZUMIH-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC(CC)CC ZINC001038907728 1344646262 /nfs/dbraw/zinc/64/62/62/1344646262.db2.gz DQNKBOYYRZUMIH-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001039046824 1344733056 /nfs/dbraw/zinc/73/30/56/1344733056.db2.gz BUVLVJUABXIOAD-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001039046824 1344733059 /nfs/dbraw/zinc/73/30/59/1344733059.db2.gz BUVLVJUABXIOAD-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCC2(CC2)CC1 ZINC001039046824 1344733061 /nfs/dbraw/zinc/73/30/61/1344733061.db2.gz BUVLVJUABXIOAD-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039112823 1344784896 /nfs/dbraw/zinc/78/48/96/1344784896.db2.gz IZGXFVDCSJOMDE-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039112823 1344784902 /nfs/dbraw/zinc/78/49/02/1344784902.db2.gz IZGXFVDCSJOMDE-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039112823 1344784904 /nfs/dbraw/zinc/78/49/04/1344784904.db2.gz IZGXFVDCSJOMDE-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039137805 1344817858 /nfs/dbraw/zinc/81/78/58/1344817858.db2.gz ROOUPIYOOJEQHH-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182894 1344881511 /nfs/dbraw/zinc/88/15/11/1344881511.db2.gz UBYRMJRBOIKMQD-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182894 1344881515 /nfs/dbraw/zinc/88/15/15/1344881515.db2.gz UBYRMJRBOIKMQD-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182894 1344881520 /nfs/dbraw/zinc/88/15/20/1344881520.db2.gz UBYRMJRBOIKMQD-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039205093 1344916756 /nfs/dbraw/zinc/91/67/56/1344916756.db2.gz KHMBJYTYVOJOHA-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039205093 1344916760 /nfs/dbraw/zinc/91/67/60/1344916760.db2.gz KHMBJYTYVOJOHA-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039205093 1344916764 /nfs/dbraw/zinc/91/67/64/1344916764.db2.gz KHMBJYTYVOJOHA-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039215907 1344932143 /nfs/dbraw/zinc/93/21/43/1344932143.db2.gz WWNILXOCJAFJPZ-AZUAARDMSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039215907 1344932144 /nfs/dbraw/zinc/93/21/44/1344932144.db2.gz WWNILXOCJAFJPZ-AZUAARDMSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039215907 1344932147 /nfs/dbraw/zinc/93/21/47/1344932147.db2.gz WWNILXOCJAFJPZ-AZUAARDMSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039237246 1344959815 /nfs/dbraw/zinc/95/98/15/1344959815.db2.gz GATXCWMGXDNUMT-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001039382545 1345037236 /nfs/dbraw/zinc/03/72/36/1345037236.db2.gz IYTGKCYMLPENGX-SJORKVTESA-N 2 1 349.544 3.145 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001039382545 1345037240 /nfs/dbraw/zinc/03/72/40/1345037240.db2.gz IYTGKCYMLPENGX-SJORKVTESA-N 2 1 349.544 3.145 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC([N@@H+](CC2CC2)CC2CCC2)CC1)[NH+](C)C ZINC001039487025 1345105743 /nfs/dbraw/zinc/10/57/43/1345105743.db2.gz XVLIZSCBHHDISE-FQEVSTJZSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001039579084 1345145179 /nfs/dbraw/zinc/14/51/79/1345145179.db2.gz HZXCISRPPZLQNN-CEXWTWQISA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001039579084 1345145185 /nfs/dbraw/zinc/14/51/85/1345145185.db2.gz HZXCISRPPZLQNN-CEXWTWQISA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001039579084 1345145186 /nfs/dbraw/zinc/14/51/86/1345145186.db2.gz HZXCISRPPZLQNN-CEXWTWQISA-N 2 1 349.563 3.361 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(C)C)C2 ZINC001040232175 1345386935 /nfs/dbraw/zinc/38/69/35/1345386935.db2.gz OIEFGMIZUSFYPI-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC(C)C)C2 ZINC001040232175 1345386938 /nfs/dbraw/zinc/38/69/38/1345386938.db2.gz OIEFGMIZUSFYPI-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC(C)C)C2 ZINC001040232175 1345386940 /nfs/dbraw/zinc/38/69/40/1345386940.db2.gz OIEFGMIZUSFYPI-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CC=C(C)C)C2 ZINC001040232992 1345387766 /nfs/dbraw/zinc/38/77/66/1345387766.db2.gz UZXZVYKPDYCYSQ-FPOVZHCZSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC=C(C)C)C2 ZINC001040232992 1345387769 /nfs/dbraw/zinc/38/77/69/1345387769.db2.gz UZXZVYKPDYCYSQ-FPOVZHCZSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC=C(C)C)C2 ZINC001040232992 1345387770 /nfs/dbraw/zinc/38/77/70/1345387770.db2.gz UZXZVYKPDYCYSQ-FPOVZHCZSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](C)C1(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC(C)(C)C)C3)CCC1 ZINC001040235305 1345388811 /nfs/dbraw/zinc/38/88/11/1345388811.db2.gz AISBJTMCEQXLRE-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCCC1)C2)[NH+](C)C ZINC001040260792 1345400912 /nfs/dbraw/zinc/40/09/12/1345400912.db2.gz ISYFOGZAERQPEI-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040393321 1345473732 /nfs/dbraw/zinc/47/37/32/1345473732.db2.gz ATAAJECZRMFCEQ-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001040393321 1345473733 /nfs/dbraw/zinc/47/37/33/1345473733.db2.gz ATAAJECZRMFCEQ-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001040393321 1345473734 /nfs/dbraw/zinc/47/37/34/1345473734.db2.gz ATAAJECZRMFCEQ-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040431367 1345493990 /nfs/dbraw/zinc/49/39/90/1345493990.db2.gz GNVQNBUBORXUEW-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040431367 1345493994 /nfs/dbraw/zinc/49/39/94/1345493994.db2.gz GNVQNBUBORXUEW-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040431367 1345493997 /nfs/dbraw/zinc/49/39/97/1345493997.db2.gz GNVQNBUBORXUEW-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040546870 1345541249 /nfs/dbraw/zinc/54/12/49/1345541249.db2.gz IGRKWZBTNZQISW-CTNGQTDRSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040546870 1345541253 /nfs/dbraw/zinc/54/12/53/1345541253.db2.gz IGRKWZBTNZQISW-CTNGQTDRSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040547993 1345542292 /nfs/dbraw/zinc/54/22/92/1345542292.db2.gz ODTYIRROGQBYBV-PZJWPPBQSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040547993 1345542295 /nfs/dbraw/zinc/54/22/95/1345542295.db2.gz ODTYIRROGQBYBV-PZJWPPBQSA-N 2 1 343.515 3.014 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001040850156 1345588102 /nfs/dbraw/zinc/58/81/02/1345588102.db2.gz ZKYFECKHGZUGSD-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCCC3)C2)C1)[NH+](C)C ZINC001041646605 1345809162 /nfs/dbraw/zinc/80/91/62/1345809162.db2.gz SVGWAYNJELXWPQ-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725506 1345833026 /nfs/dbraw/zinc/83/30/26/1345833026.db2.gz NSYGXGLPBSIEQH-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845463 1345871657 /nfs/dbraw/zinc/87/16/57/1345871657.db2.gz DKTVUIILULUPGO-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041845463 1345871658 /nfs/dbraw/zinc/87/16/58/1345871658.db2.gz DKTVUIILULUPGO-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001041845463 1345871659 /nfs/dbraw/zinc/87/16/59/1345871659.db2.gz DKTVUIILULUPGO-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041846174 1345871820 /nfs/dbraw/zinc/87/18/20/1345871820.db2.gz YTSACMXPOCALNH-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042085180 1345940421 /nfs/dbraw/zinc/94/04/21/1345940421.db2.gz LJKVREPBTATKOC-NVXWUHKLSA-N 2 1 349.544 3.002 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042085180 1345940422 /nfs/dbraw/zinc/94/04/22/1345940422.db2.gz LJKVREPBTATKOC-NVXWUHKLSA-N 2 1 349.544 3.002 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042125640 1345950831 /nfs/dbraw/zinc/95/08/31/1345950831.db2.gz VZIBQXMBKAENOH-MJGOQNOKSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125640 1345950832 /nfs/dbraw/zinc/95/08/32/1345950832.db2.gz VZIBQXMBKAENOH-MJGOQNOKSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125640 1345950833 /nfs/dbraw/zinc/95/08/33/1345950833.db2.gz VZIBQXMBKAENOH-MJGOQNOKSA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042254322 1346006889 /nfs/dbraw/zinc/00/68/89/1346006889.db2.gz KMRDHXKHNWEFJD-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042254322 1346006891 /nfs/dbraw/zinc/00/68/91/1346006891.db2.gz KMRDHXKHNWEFJD-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042365318 1346058195 /nfs/dbraw/zinc/05/81/95/1346058195.db2.gz MZLSQJYTMRSJSP-ICSRJNTNSA-N 2 1 343.515 3.085 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042367973 1346059624 /nfs/dbraw/zinc/05/96/24/1346059624.db2.gz NBTQGQXDSZSNGQ-XLIONFOSSA-N 2 1 343.515 3.085 20 0 EGADMP CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1C[NH+](CCC2CCCCC2)C1 ZINC001043071764 1346136604 /nfs/dbraw/zinc/13/66/04/1346136604.db2.gz BKHGSIUKCWXPMR-QUCCMNQESA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1C[NH+](CCC2CCCCC2)C1 ZINC001043071764 1346136607 /nfs/dbraw/zinc/13/66/07/1346136607.db2.gz BKHGSIUKCWXPMR-QUCCMNQESA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1C[NH+](CCCC2CCCC2)C1 ZINC001043073296 1346136987 /nfs/dbraw/zinc/13/69/87/1346136987.db2.gz KWNCJSSYYLUIIT-QUCCMNQESA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1C[NH+](CCCC2CCCC2)C1 ZINC001043073296 1346136989 /nfs/dbraw/zinc/13/69/89/1346136989.db2.gz KWNCJSSYYLUIIT-QUCCMNQESA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1C[NH+](CC2CCCCCC2)C1 ZINC001043072776 1346137059 /nfs/dbraw/zinc/13/70/59/1346137059.db2.gz HRMSQYMXCMITNB-UYAOXDASSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CCC2=CCCCC2)C1 ZINC001043198187 1346152473 /nfs/dbraw/zinc/15/24/73/1346152473.db2.gz GRZHWEKYSGPVEL-HXUWFJFHSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CCC2=CCCCC2)C1 ZINC001043198187 1346152475 /nfs/dbraw/zinc/15/24/75/1346152475.db2.gz GRZHWEKYSGPVEL-HXUWFJFHSA-N 2 1 347.547 3.140 20 0 EGADMP CN(C(=O)c1cccc(C[NH+](C)C)c1)C1C[NH+](CCCC2CCC2)C1 ZINC001044333252 1346300643 /nfs/dbraw/zinc/30/06/43/1346300643.db2.gz PTQZIIQJIIWOKX-UHFFFAOYSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC2CCCC2)C[C@@H]1C ZINC001044759924 1346422650 /nfs/dbraw/zinc/42/26/50/1346422650.db2.gz MWXJXUXCKMHCAM-FUHWJXTLSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H]([NH2+]CC2CCC2)C[C@H]1C ZINC001044766760 1346424002 /nfs/dbraw/zinc/42/40/02/1346424002.db2.gz LTRWUYHUKWOXPW-SJLPKXTDSA-N 2 1 346.519 3.166 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C[C@@H]1C ZINC001044865069 1346449347 /nfs/dbraw/zinc/44/93/47/1346449347.db2.gz NDBISAQNFRSQLV-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045035465 1346484196 /nfs/dbraw/zinc/48/41/96/1346484196.db2.gz YFUKPEKTMGAJNG-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001045070614 1346489649 /nfs/dbraw/zinc/48/96/49/1346489649.db2.gz NXEAXDOYSYQFPX-HKUYNNGSSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001045200377 1346529214 /nfs/dbraw/zinc/52/92/14/1346529214.db2.gz WHQYDZQVAZUJOB-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001045438399 1346593941 /nfs/dbraw/zinc/59/39/41/1346593941.db2.gz SCOKCEWYEYHQCZ-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001045438688 1346593990 /nfs/dbraw/zinc/59/39/90/1346593990.db2.gz VTVIHMLHYHYWED-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2(C)CC[NH+](C[C@H](C)CC)CC2)C1 ZINC001045531470 1346619016 /nfs/dbraw/zinc/61/90/16/1346619016.db2.gz JUDSUPLYRWCYOX-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CC1(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC[NH+](CCC2CCCC2)CC1 ZINC001045629144 1346652117 /nfs/dbraw/zinc/65/21/17/1346652117.db2.gz HVSIZPJWFLQPOI-NRFANRHFSA-N 2 1 347.547 3.023 20 0 EGADMP CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001045943048 1346778720 /nfs/dbraw/zinc/77/87/20/1346778720.db2.gz FRSCJGHJXCXRNI-FPOVZHCZSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001045943048 1346778724 /nfs/dbraw/zinc/77/87/24/1346778724.db2.gz FRSCJGHJXCXRNI-FPOVZHCZSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001045943048 1346778726 /nfs/dbraw/zinc/77/87/26/1346778726.db2.gz FRSCJGHJXCXRNI-FPOVZHCZSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945750 1346781282 /nfs/dbraw/zinc/78/12/82/1346781282.db2.gz YTQMJFLKDVVKRM-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001045945750 1346781284 /nfs/dbraw/zinc/78/12/84/1346781284.db2.gz YTQMJFLKDVVKRM-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001045945750 1346781287 /nfs/dbraw/zinc/78/12/87/1346781287.db2.gz YTQMJFLKDVVKRM-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CCC(C)C)C2)C1)[NH+](C)C ZINC001045967577 1346802003 /nfs/dbraw/zinc/80/20/03/1346802003.db2.gz XSHVVCMVSZMNMT-ICSRJNTNSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001045986067 1346826526 /nfs/dbraw/zinc/82/65/26/1346826526.db2.gz GNVCUFWLHUYNIL-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045986677 1346828551 /nfs/dbraw/zinc/82/85/51/1346828551.db2.gz XZUWNJGCQIIAQS-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](CCCC(C)C)C1 ZINC001132154279 1375174151 /nfs/dbraw/zinc/17/41/51/1375174151.db2.gz YCMLXOWMQWSOMZ-SJORKVTESA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCC(C)C)C1 ZINC001132154279 1375174153 /nfs/dbraw/zinc/17/41/53/1375174153.db2.gz YCMLXOWMQWSOMZ-SJORKVTESA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC(C)C)C1 ZINC001132154279 1375174154 /nfs/dbraw/zinc/17/41/54/1375174154.db2.gz YCMLXOWMQWSOMZ-SJORKVTESA-N 2 1 325.541 3.122 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CC2CCCCCC2)C1 ZINC001046558987 1347016134 /nfs/dbraw/zinc/01/61/34/1347016134.db2.gz WOEZXUAYMOSOBC-ICSRJNTNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC2CCCCCC2)C1 ZINC001046558987 1347016136 /nfs/dbraw/zinc/01/61/36/1347016136.db2.gz WOEZXUAYMOSOBC-ICSRJNTNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC2CCCCCC2)C1 ZINC001046558987 1347016138 /nfs/dbraw/zinc/01/61/38/1347016138.db2.gz WOEZXUAYMOSOBC-ICSRJNTNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCCC2CCCC2)C1 ZINC001046557808 1347016206 /nfs/dbraw/zinc/01/62/06/1347016206.db2.gz OQFVSGHOYDOBIV-ICSRJNTNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCCC2CCCC2)C1 ZINC001046557808 1347016208 /nfs/dbraw/zinc/01/62/08/1347016208.db2.gz OQFVSGHOYDOBIV-ICSRJNTNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCCC2CCCC2)C1 ZINC001046557808 1347016211 /nfs/dbraw/zinc/01/62/11/1347016211.db2.gz OQFVSGHOYDOBIV-ICSRJNTNSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCCCC1)C2 ZINC001047201876 1347241618 /nfs/dbraw/zinc/24/16/18/1347241618.db2.gz WOSVSKUQNFBCHL-ZCNNSNEGSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048538251 1347583695 /nfs/dbraw/zinc/58/36/95/1347583695.db2.gz NNVRPWNKLUSCOU-OBKDMQGPSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)C2 ZINC001048538251 1347583697 /nfs/dbraw/zinc/58/36/97/1347583697.db2.gz NNVRPWNKLUSCOU-OBKDMQGPSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)C2 ZINC001048538251 1347583699 /nfs/dbraw/zinc/58/36/99/1347583699.db2.gz NNVRPWNKLUSCOU-OBKDMQGPSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001048589809 1347609028 /nfs/dbraw/zinc/60/90/28/1347609028.db2.gz AQNJPRNIBNUDMX-OBKDMQGPSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001048589809 1347609029 /nfs/dbraw/zinc/60/90/29/1347609029.db2.gz AQNJPRNIBNUDMX-OBKDMQGPSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001048589809 1347609032 /nfs/dbraw/zinc/60/90/32/1347609032.db2.gz AQNJPRNIBNUDMX-OBKDMQGPSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1)[NH+]1CCCCCC1 ZINC001049094782 1347723406 /nfs/dbraw/zinc/72/34/06/1347723406.db2.gz QBFWLZOLMUDXGP-GBESFXJTSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001049473291 1347865774 /nfs/dbraw/zinc/86/57/74/1347865774.db2.gz JUAODBSVDSRTMZ-DFQSSKMNSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001049473291 1347865776 /nfs/dbraw/zinc/86/57/76/1347865776.db2.gz JUAODBSVDSRTMZ-DFQSSKMNSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001049473291 1347865778 /nfs/dbraw/zinc/86/57/78/1347865778.db2.gz JUAODBSVDSRTMZ-DFQSSKMNSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001049473292 1347866243 /nfs/dbraw/zinc/86/62/43/1347866243.db2.gz JUAODBSVDSRTMZ-MISYRCLQSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001049473292 1347866248 /nfs/dbraw/zinc/86/62/48/1347866248.db2.gz JUAODBSVDSRTMZ-MISYRCLQSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001049473292 1347866254 /nfs/dbraw/zinc/86/62/54/1347866254.db2.gz JUAODBSVDSRTMZ-MISYRCLQSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049519722 1347889325 /nfs/dbraw/zinc/88/93/25/1347889325.db2.gz ASHROUMEYGHLQA-IPMKNSEASA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001049519722 1347889328 /nfs/dbraw/zinc/88/93/28/1347889328.db2.gz ASHROUMEYGHLQA-IPMKNSEASA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001049519722 1347889330 /nfs/dbraw/zinc/88/93/30/1347889330.db2.gz ASHROUMEYGHLQA-IPMKNSEASA-N 2 1 335.536 3.115 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC1CCC1)C1CCC1 ZINC001049521966 1347889705 /nfs/dbraw/zinc/88/97/05/1347889705.db2.gz NCZXLPHVHNKGDP-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC1CCC1)C1CCC1 ZINC001049521966 1347889706 /nfs/dbraw/zinc/88/97/06/1347889706.db2.gz NCZXLPHVHNKGDP-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCC1CCC1)C1CCC1 ZINC001049521966 1347889708 /nfs/dbraw/zinc/88/97/08/1347889708.db2.gz NCZXLPHVHNKGDP-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049565058 1347913144 /nfs/dbraw/zinc/91/31/44/1347913144.db2.gz SEIATEKAGFJQFM-OALUTQOASA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049565058 1347913145 /nfs/dbraw/zinc/91/31/45/1347913145.db2.gz SEIATEKAGFJQFM-OALUTQOASA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049565058 1347913146 /nfs/dbraw/zinc/91/31/46/1347913146.db2.gz SEIATEKAGFJQFM-OALUTQOASA-N 2 1 349.563 3.361 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049566295 1347913589 /nfs/dbraw/zinc/91/35/89/1347913589.db2.gz BLAGJSFLKXRGDE-OALUTQOASA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589744 1347925348 /nfs/dbraw/zinc/92/53/48/1347925348.db2.gz BNCFZXPPUGTXGS-MOPGFXCFSA-N 2 1 340.471 3.059 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1=CCCCC1 ZINC001049656095 1347958428 /nfs/dbraw/zinc/95/84/28/1347958428.db2.gz VKBXWNUTGJXCQM-AABGKKOBSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1=CCCCC1 ZINC001049656095 1347958430 /nfs/dbraw/zinc/95/84/30/1347958430.db2.gz VKBXWNUTGJXCQM-AABGKKOBSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1=CCCCC1 ZINC001049656095 1347958433 /nfs/dbraw/zinc/95/84/33/1347958433.db2.gz VKBXWNUTGJXCQM-AABGKKOBSA-N 2 1 345.531 3.036 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCCC1)[NH+](C)C ZINC001049707149 1347984156 /nfs/dbraw/zinc/98/41/56/1347984156.db2.gz CJWWGGVJGBMRRH-XUVXKRRUSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716671 1347988731 /nfs/dbraw/zinc/98/87/31/1347988731.db2.gz GDRIROBDHWURPA-ZWKOTPCHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049716671 1347988732 /nfs/dbraw/zinc/98/87/32/1347988732.db2.gz GDRIROBDHWURPA-ZWKOTPCHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049716671 1347988735 /nfs/dbraw/zinc/98/87/35/1347988735.db2.gz GDRIROBDHWURPA-ZWKOTPCHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049751017 1348000073 /nfs/dbraw/zinc/00/00/73/1348000073.db2.gz BGFWGDSKQYVHPX-QZTJIDSGSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049751017 1348000076 /nfs/dbraw/zinc/00/00/76/1348000076.db2.gz BGFWGDSKQYVHPX-QZTJIDSGSA-N 2 1 346.519 3.118 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049765792 1348009445 /nfs/dbraw/zinc/00/94/45/1348009445.db2.gz HZDYOZWXFJYYRR-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CCC(CC(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCC(C)(C)C)CC1 ZINC001049767750 1348011279 /nfs/dbraw/zinc/01/12/79/1348011279.db2.gz QYJDJCMKTRAHAK-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCC1 ZINC001049914882 1348109418 /nfs/dbraw/zinc/10/94/18/1348109418.db2.gz RQGRRJNUICMFSP-WOJBJXKFSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049915604 1348109909 /nfs/dbraw/zinc/10/99/09/1348109909.db2.gz XFSVBAVLIAATLH-ZCNNSNEGSA-N 2 1 349.563 3.218 20 0 EGADMP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C)CC1CCCC1 ZINC001050244810 1348217032 /nfs/dbraw/zinc/21/70/32/1348217032.db2.gz GRCLRBHTBLAMBG-FQEVSTJZSA-N 2 1 343.515 3.019 20 0 EGADMP C[NH+](Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C)CC1CCCC1 ZINC001050244810 1348217033 /nfs/dbraw/zinc/21/70/33/1348217033.db2.gz GRCLRBHTBLAMBG-FQEVSTJZSA-N 2 1 343.515 3.019 20 0 EGADMP C[NH+](Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C)CC1CCCC1 ZINC001050244810 1348217035 /nfs/dbraw/zinc/21/70/35/1348217035.db2.gz GRCLRBHTBLAMBG-FQEVSTJZSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001050368418 1348240676 /nfs/dbraw/zinc/24/06/76/1348240676.db2.gz VWFFUWLYILOGAH-MISYRCLQSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001050368083 1348240704 /nfs/dbraw/zinc/24/07/04/1348240704.db2.gz RIXHQNCICHQHGP-LEAZDLGRSA-N 2 1 349.563 3.029 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCCC3)CC2)C1 ZINC001050385701 1348246384 /nfs/dbraw/zinc/24/63/84/1348246384.db2.gz RSVKHKHAJGPTGO-VAMGGRTRSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001050688280 1348327728 /nfs/dbraw/zinc/32/77/28/1348327728.db2.gz ZQVIUFXHWASYLN-LJQANCHMSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052446995 1348543458 /nfs/dbraw/zinc/54/34/58/1348543458.db2.gz VHBPSLJLTLXJLZ-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052446995 1348543460 /nfs/dbraw/zinc/54/34/60/1348543460.db2.gz VHBPSLJLTLXJLZ-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052446995 1348543461 /nfs/dbraw/zinc/54/34/61/1348543461.db2.gz VHBPSLJLTLXJLZ-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052652185 1348614019 /nfs/dbraw/zinc/61/40/19/1348614019.db2.gz UTKIYQQJAVVJKJ-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052652185 1348614021 /nfs/dbraw/zinc/61/40/21/1348614021.db2.gz UTKIYQQJAVVJKJ-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052652185 1348614023 /nfs/dbraw/zinc/61/40/23/1348614023.db2.gz UTKIYQQJAVVJKJ-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052651891 1348614134 /nfs/dbraw/zinc/61/41/34/1348614134.db2.gz OLKHNGVFDVJNIG-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052651891 1348614135 /nfs/dbraw/zinc/61/41/35/1348614135.db2.gz OLKHNGVFDVJNIG-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052651891 1348614137 /nfs/dbraw/zinc/61/41/37/1348614137.db2.gz OLKHNGVFDVJNIG-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CC3=CCCCC3)CC2)CC[N@H+]1C ZINC001052658595 1348617184 /nfs/dbraw/zinc/61/71/84/1348617184.db2.gz SPIUPNFRXKOQAH-IHPCNDPISA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CC3=CCCCC3)CC2)CC[NH+]1C ZINC001052658595 1348617187 /nfs/dbraw/zinc/61/71/87/1348617187.db2.gz SPIUPNFRXKOQAH-IHPCNDPISA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC3=CCCCC3)CC2)CC[NH+]1C ZINC001052658595 1348617189 /nfs/dbraw/zinc/61/71/89/1348617189.db2.gz SPIUPNFRXKOQAH-IHPCNDPISA-N 2 1 347.547 3.188 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CC3=CCCCC3)CC2)CC1 ZINC001052819983 1348689653 /nfs/dbraw/zinc/68/96/53/1348689653.db2.gz KMSXWNIIMDIOJW-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC001052859595 1348705293 /nfs/dbraw/zinc/70/52/93/1348705293.db2.gz MZNJHIHOFBXVKS-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC001052859595 1348705296 /nfs/dbraw/zinc/70/52/96/1348705296.db2.gz MZNJHIHOFBXVKS-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC001052859595 1348705298 /nfs/dbraw/zinc/70/52/98/1348705298.db2.gz MZNJHIHOFBXVKS-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC001052938226 1348757085 /nfs/dbraw/zinc/75/70/85/1348757085.db2.gz UXBMCJRIDRQMGA-IBGZPJMESA-N 2 1 344.503 3.053 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC001052938226 1348757090 /nfs/dbraw/zinc/75/70/90/1348757090.db2.gz UXBMCJRIDRQMGA-IBGZPJMESA-N 2 1 344.503 3.053 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052953659 1348768896 /nfs/dbraw/zinc/76/88/96/1348768896.db2.gz FDHQZNQKYCLBBY-VQIMIIECSA-N 2 1 349.494 3.081 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC001052955907 1348769914 /nfs/dbraw/zinc/76/99/14/1348769914.db2.gz LGNXZSMGANOBRH-IBGZPJMESA-N 2 1 343.515 3.133 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052955577 1348769952 /nfs/dbraw/zinc/76/99/52/1348769952.db2.gz HPLMZCNCXQHXPE-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC001052955577 1348769956 /nfs/dbraw/zinc/76/99/56/1348769956.db2.gz HPLMZCNCXQHXPE-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001052955577 1348769958 /nfs/dbraw/zinc/76/99/58/1348769958.db2.gz HPLMZCNCXQHXPE-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001052955404 1348770099 /nfs/dbraw/zinc/77/00/99/1348770099.db2.gz FLVGDQYCXZNUFB-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001052955404 1348770102 /nfs/dbraw/zinc/77/01/02/1348770102.db2.gz FLVGDQYCXZNUFB-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001052955404 1348770105 /nfs/dbraw/zinc/77/01/05/1348770105.db2.gz FLVGDQYCXZNUFB-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1)[NH+](C)C ZINC001054148373 1349154966 /nfs/dbraw/zinc/15/49/66/1349154966.db2.gz MEHBWPRRHNYUHS-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2C1 ZINC001054270497 1349269674 /nfs/dbraw/zinc/26/96/74/1349269674.db2.gz PFPKAPUKZJMXQB-UZLBHIALSA-N 2 1 343.515 3.149 20 0 EGADMP CC[C@@H](C)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cc2C1 ZINC001054270497 1349269676 /nfs/dbraw/zinc/26/96/76/1349269676.db2.gz PFPKAPUKZJMXQB-UZLBHIALSA-N 2 1 343.515 3.149 20 0 EGADMP CC[C@@H](C)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3C)cc2C1 ZINC001054270497 1349269680 /nfs/dbraw/zinc/26/96/80/1349269680.db2.gz PFPKAPUKZJMXQB-UZLBHIALSA-N 2 1 343.515 3.149 20 0 EGADMP CC[C@@H](C)C[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2C1 ZINC001054270496 1349270180 /nfs/dbraw/zinc/27/01/80/1349270180.db2.gz PFPKAPUKZJMXQB-OXQOHEQNSA-N 2 1 343.515 3.149 20 0 EGADMP CC[C@@H](C)C[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C)cc2C1 ZINC001054270496 1349270186 /nfs/dbraw/zinc/27/01/86/1349270186.db2.gz PFPKAPUKZJMXQB-OXQOHEQNSA-N 2 1 343.515 3.149 20 0 EGADMP CC[C@@H](C)C[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@H+]3C)cc2C1 ZINC001054270496 1349270187 /nfs/dbraw/zinc/27/01/87/1349270187.db2.gz PFPKAPUKZJMXQB-OXQOHEQNSA-N 2 1 343.515 3.149 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001071690150 1354853946 /nfs/dbraw/zinc/85/39/46/1354853946.db2.gz WLUVDMSSGTYNID-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001071690150 1354853950 /nfs/dbraw/zinc/85/39/50/1354853950.db2.gz WLUVDMSSGTYNID-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP CCCC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001071702085 1354861235 /nfs/dbraw/zinc/86/12/35/1354861235.db2.gz SYMSOWYRDJGPEF-MJGOQNOKSA-N 2 1 345.531 3.174 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CCC1CCCC1 ZINC001071736090 1354888254 /nfs/dbraw/zinc/88/82/54/1354888254.db2.gz XIQLKBAGZNSJSG-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CC1CCCCCC1 ZINC001071796821 1354941158 /nfs/dbraw/zinc/94/11/58/1354941158.db2.gz YADSCSWLRDXNOZ-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CCC(C)(C)C ZINC001071821061 1354961114 /nfs/dbraw/zinc/96/11/14/1354961114.db2.gz ITGYNXAUTVRFMK-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CCC(C)(C)C ZINC001071821061 1354961116 /nfs/dbraw/zinc/96/11/16/1354961116.db2.gz ITGYNXAUTVRFMK-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CCC(C)(C)C ZINC001071821061 1354961121 /nfs/dbraw/zinc/96/11/21/1354961121.db2.gz ITGYNXAUTVRFMK-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[N@H+]1CCCC1CCCC1 ZINC001071996255 1355065858 /nfs/dbraw/zinc/06/58/58/1355065858.db2.gz PQDVTAZJCKIXRP-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[N@@H+]1CCC(C)(C)C ZINC001071998371 1355066793 /nfs/dbraw/zinc/06/67/93/1355066793.db2.gz JEBCVRHFXMOFRS-CVEARBPZSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[N@H+]1CCC(C)(C)C ZINC001071998371 1355066796 /nfs/dbraw/zinc/06/67/96/1355066796.db2.gz JEBCVRHFXMOFRS-CVEARBPZSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@H+]1CCC1CC1 ZINC001072096221 1355127244 /nfs/dbraw/zinc/12/72/44/1355127244.db2.gz VPTBSSIULBRKTB-OXQOHEQNSA-N 2 1 343.515 3.131 20 0 EGADMP CCCC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072099702 1355129781 /nfs/dbraw/zinc/12/97/81/1355129781.db2.gz VXIJODQPIBWNJW-WMZOPIPTSA-N 2 1 331.504 3.131 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001089736059 1360641222 /nfs/dbraw/zinc/64/12/22/1360641222.db2.gz UCMOHNFHGHSASO-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073033523 1355561129 /nfs/dbraw/zinc/56/11/29/1355561129.db2.gz NJWPTVGPOSNMST-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001073033523 1355561131 /nfs/dbraw/zinc/56/11/31/1355561131.db2.gz NJWPTVGPOSNMST-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001073033523 1355561134 /nfs/dbraw/zinc/56/11/34/1355561134.db2.gz NJWPTVGPOSNMST-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001094243332 1361758736 /nfs/dbraw/zinc/75/87/36/1361758736.db2.gz XWDYJDGNMAHORG-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC2=CCCCC2)CC[N@H+]1C ZINC001074015652 1356036209 /nfs/dbraw/zinc/03/62/09/1356036209.db2.gz IYWJNCMJIJEKGH-MISYRCLQSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC2=CCCCC2)CC[NH+]1C ZINC001074015652 1356036211 /nfs/dbraw/zinc/03/62/11/1356036211.db2.gz IYWJNCMJIJEKGH-MISYRCLQSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2=CCCCC2)CC[NH+]1C ZINC001074015652 1356036217 /nfs/dbraw/zinc/03/62/17/1356036217.db2.gz IYWJNCMJIJEKGH-MISYRCLQSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC001075448158 1356380904 /nfs/dbraw/zinc/38/09/04/1356380904.db2.gz PKGOUZFUIGUOED-ICSRJNTNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001075448158 1356380906 /nfs/dbraw/zinc/38/09/06/1356380906.db2.gz PKGOUZFUIGUOED-ICSRJNTNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075448158 1356380908 /nfs/dbraw/zinc/38/09/08/1356380908.db2.gz PKGOUZFUIGUOED-ICSRJNTNSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+](CC)CC2)CC1 ZINC001075461970 1356395807 /nfs/dbraw/zinc/39/58/07/1356395807.db2.gz XTXFYBJPBZIEIF-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](CC)CC2)CC1 ZINC001075461970 1356395810 /nfs/dbraw/zinc/39/58/10/1356395810.db2.gz XTXFYBJPBZIEIF-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](CC)CC2)CC1 ZINC001075461970 1356395816 /nfs/dbraw/zinc/39/58/16/1356395816.db2.gz XTXFYBJPBZIEIF-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001183256440 1387286304 /nfs/dbraw/zinc/28/63/04/1387286304.db2.gz WSLIIIDJKIVMLJ-SRXMEYSWSA-N 2 1 347.547 3.330 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001099098376 1363621349 /nfs/dbraw/zinc/62/13/49/1363621349.db2.gz OMBSIQLOPLJAFN-IRXDYDNUSA-N 2 1 343.531 3.073 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C)c1ccccc1 ZINC001082561777 1358057056 /nfs/dbraw/zinc/05/70/56/1358057056.db2.gz PYPUALHOOPHAAD-LSTHTHJFSA-N 2 1 343.515 3.059 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101376 1358391276 /nfs/dbraw/zinc/39/12/76/1358391276.db2.gz HDVAYNQZBYBREY-AABGKKOBSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001085245665 1358443273 /nfs/dbraw/zinc/44/32/73/1358443273.db2.gz HDPJZMLDZHGUSC-GUDVDZBRSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001085331850 1358470100 /nfs/dbraw/zinc/47/01/00/1358470100.db2.gz BOOICKYKHSDHOK-BHIYHBOVSA-N 2 1 335.536 3.068 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1 ZINC001085389807 1358486524 /nfs/dbraw/zinc/48/65/24/1358486524.db2.gz WDWLIRMNNBBYGI-QRVBRYPASA-N 2 1 335.536 3.068 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085432441 1358498573 /nfs/dbraw/zinc/49/85/73/1358498573.db2.gz XZMJHNXADFKEJR-GUDVDZBRSA-N 2 1 335.536 3.068 20 0 EGADMP O=C(CCC[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001323354495 1387349058 /nfs/dbraw/zinc/34/90/58/1387349058.db2.gz BBFSMTTYMQUNAV-IBGZPJMESA-N 2 1 335.536 3.023 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1=CCCCC1 ZINC001085854867 1358822387 /nfs/dbraw/zinc/82/23/87/1358822387.db2.gz JPNLQZUHXOEZCK-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001085854867 1358822392 /nfs/dbraw/zinc/82/23/92/1358822392.db2.gz JPNLQZUHXOEZCK-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1=CCCCC1 ZINC001085854867 1358822401 /nfs/dbraw/zinc/82/24/01/1358822401.db2.gz JPNLQZUHXOEZCK-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC001086122778 1359002953 /nfs/dbraw/zinc/00/29/53/1359002953.db2.gz YFHLATGNBKQEMJ-IZBJGVDFSA-N 2 1 343.515 3.025 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086364658 1359078616 /nfs/dbraw/zinc/07/86/16/1359078616.db2.gz MGUPTSHFVQADAQ-PWKSQPCKSA-N 2 1 349.563 3.170 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086712275 1359190165 /nfs/dbraw/zinc/19/01/65/1359190165.db2.gz YCYALINCWOIVPW-XUVXKRRUSA-N 2 1 347.547 3.236 20 0 EGADMP CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCn3cc[nH+]c3C(C)C)C2)CC1 ZINC001086947350 1359268587 /nfs/dbraw/zinc/26/85/87/1359268587.db2.gz VVBZGDKYDJSBNC-KRWDZBQOSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@H]21 ZINC001087309167 1359396693 /nfs/dbraw/zinc/39/66/93/1359396693.db2.gz BQWVENUYDAPQNY-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CC1CCCC1 ZINC001087572192 1359536753 /nfs/dbraw/zinc/53/67/53/1359536753.db2.gz GMCHBVGVWLKNRU-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087572999 1359537059 /nfs/dbraw/zinc/53/70/59/1359537059.db2.gz OWZNUYRBJJTAKE-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087572999 1359537060 /nfs/dbraw/zinc/53/70/60/1359537060.db2.gz OWZNUYRBJJTAKE-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087572999 1359537063 /nfs/dbraw/zinc/53/70/63/1359537063.db2.gz OWZNUYRBJJTAKE-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CCC(C)(C)C ZINC001087640554 1359566879 /nfs/dbraw/zinc/56/68/79/1359566879.db2.gz KAJFDXOFVOZIBW-DLBZAZTESA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@@H+]1CCCC1CCCC1 ZINC001087659589 1359576260 /nfs/dbraw/zinc/57/62/60/1359576260.db2.gz QHGJMVDYLVMDOG-RBUKOAKNSA-N 2 1 346.519 3.131 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@H+]1CCCC1CCCC1 ZINC001087659589 1359576261 /nfs/dbraw/zinc/57/62/61/1359576261.db2.gz QHGJMVDYLVMDOG-RBUKOAKNSA-N 2 1 346.519 3.131 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1CC(C)C ZINC001087699459 1359598356 /nfs/dbraw/zinc/59/83/56/1359598356.db2.gz VOPQMIGDAMZJOI-ZCNNSNEGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1CC(C)C ZINC001087699459 1359598358 /nfs/dbraw/zinc/59/83/58/1359598358.db2.gz VOPQMIGDAMZJOI-ZCNNSNEGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1CC(C)C ZINC001087699459 1359598362 /nfs/dbraw/zinc/59/83/62/1359598362.db2.gz VOPQMIGDAMZJOI-ZCNNSNEGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@H+]1CC1CCCCC1 ZINC001087840683 1359675644 /nfs/dbraw/zinc/67/56/44/1359675644.db2.gz JCOSPAIMHJCGFG-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC[NH+]1CC1CCCCC1 ZINC001087840683 1359675648 /nfs/dbraw/zinc/67/56/48/1359675648.db2.gz JCOSPAIMHJCGFG-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC[NH+]1CC1CCCCC1 ZINC001087840683 1359675657 /nfs/dbraw/zinc/67/56/57/1359675657.db2.gz JCOSPAIMHJCGFG-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@@H+](CC(=O)N1CCCCC[C@H]([NH2+]CCC2CCCC2)C1)C1CCC1 ZINC001088327047 1359831319 /nfs/dbraw/zinc/83/13/19/1359831319.db2.gz FCUCOCNWVYLIRS-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCCCC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001088413374 1359884231 /nfs/dbraw/zinc/88/42/31/1359884231.db2.gz DRUOIMOAQGJAEI-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)[C@@H]1C ZINC001088563840 1359974071 /nfs/dbraw/zinc/97/40/71/1359974071.db2.gz ISXFRVNMRZEWJJ-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)[C@@H]1C ZINC001088563840 1359974076 /nfs/dbraw/zinc/97/40/76/1359974076.db2.gz ISXFRVNMRZEWJJ-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)[C@@H]1C ZINC001088563840 1359974084 /nfs/dbraw/zinc/97/40/84/1359974084.db2.gz ISXFRVNMRZEWJJ-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)[C@@H]1C ZINC001088605004 1359988589 /nfs/dbraw/zinc/98/85/89/1359988589.db2.gz CJDMYQCJOVOSFP-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)[C@@H]1C ZINC001088605004 1359988592 /nfs/dbraw/zinc/98/85/92/1359988592.db2.gz CJDMYQCJOVOSFP-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)[C@@H]1C ZINC001088605004 1359988596 /nfs/dbraw/zinc/98/85/96/1359988596.db2.gz CJDMYQCJOVOSFP-HOJAQTOUSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622094 1359993565 /nfs/dbraw/zinc/99/35/65/1359993565.db2.gz HCXFGGLSXDKUOE-UXPWSPDFSA-N 2 1 349.563 3.409 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088622094 1359993566 /nfs/dbraw/zinc/99/35/66/1359993566.db2.gz HCXFGGLSXDKUOE-UXPWSPDFSA-N 2 1 349.563 3.409 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088622094 1359993569 /nfs/dbraw/zinc/99/35/69/1359993569.db2.gz HCXFGGLSXDKUOE-UXPWSPDFSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)C[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCCCC1 ZINC001323721440 1387431113 /nfs/dbraw/zinc/43/11/13/1387431113.db2.gz ICOXWXAJIWYMHG-IBGZPJMESA-N 2 1 339.568 3.370 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC3CCCCC3)[C@@H]2C)C1 ZINC001088810117 1360059485 /nfs/dbraw/zinc/05/94/85/1360059485.db2.gz HHNWONMGFFAXPV-HOJAQTOUSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CC3CCCCC3)[C@@H]2C)C1 ZINC001088810117 1360059489 /nfs/dbraw/zinc/05/94/89/1360059489.db2.gz HHNWONMGFFAXPV-HOJAQTOUSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)[C@@H]2C)C1 ZINC001088810117 1360059490 /nfs/dbraw/zinc/05/94/90/1360059490.db2.gz HHNWONMGFFAXPV-HOJAQTOUSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001088980586 1360123766 /nfs/dbraw/zinc/12/37/66/1360123766.db2.gz MICALNMAOLKOBQ-NEWSRXKRSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC1CCC(C)(C)CC1 ZINC001088980586 1360123769 /nfs/dbraw/zinc/12/37/69/1360123769.db2.gz MICALNMAOLKOBQ-NEWSRXKRSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC1CCC(C)(C)CC1 ZINC001088980586 1360123771 /nfs/dbraw/zinc/12/37/71/1360123771.db2.gz MICALNMAOLKOBQ-NEWSRXKRSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1csc(C(C)C)n1 ZINC001323738503 1387439390 /nfs/dbraw/zinc/43/93/90/1387439390.db2.gz AFHMMGOZIDWXCH-QGZVFWFLSA-N 2 1 338.565 3.114 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC3CCCC3)CC(C)(C)C2)CC[N@H+]1C ZINC001089389893 1360391036 /nfs/dbraw/zinc/39/10/36/1360391036.db2.gz WNYDQIKEBKXSES-NZSAHSFTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC3CCCC3)CC(C)(C)C2)CC[NH+]1C ZINC001089389893 1360391039 /nfs/dbraw/zinc/39/10/39/1360391039.db2.gz WNYDQIKEBKXSES-NZSAHSFTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)CC(C)(C)C2)CC[NH+]1C ZINC001089389893 1360391043 /nfs/dbraw/zinc/39/10/43/1360391043.db2.gz WNYDQIKEBKXSES-NZSAHSFTSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089407275 1360405954 /nfs/dbraw/zinc/40/59/54/1360405954.db2.gz XUHYUSMVPPZDPC-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089407275 1360405956 /nfs/dbraw/zinc/40/59/56/1360405956.db2.gz XUHYUSMVPPZDPC-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089407275 1360405957 /nfs/dbraw/zinc/40/59/57/1360405957.db2.gz XUHYUSMVPPZDPC-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCC2)CC(C)(C)C1 ZINC001089420123 1360414575 /nfs/dbraw/zinc/41/45/75/1360414575.db2.gz JXGNUJPHKQXMCE-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)CC(C)(C)C1 ZINC001089420123 1360414576 /nfs/dbraw/zinc/41/45/76/1360414576.db2.gz JXGNUJPHKQXMCE-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)CC(C)(C)C1 ZINC001089420123 1360414577 /nfs/dbraw/zinc/41/45/77/1360414577.db2.gz JXGNUJPHKQXMCE-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1)[NH+]1CCCC1 ZINC001089458784 1360445369 /nfs/dbraw/zinc/44/53/69/1360445369.db2.gz OIWBHCKNSHZSKC-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089486710 1360467005 /nfs/dbraw/zinc/46/70/05/1360467005.db2.gz BUIHSXSAFUXREN-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089486710 1360467007 /nfs/dbraw/zinc/46/70/07/1360467007.db2.gz BUIHSXSAFUXREN-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089486710 1360467009 /nfs/dbraw/zinc/46/70/09/1360467009.db2.gz BUIHSXSAFUXREN-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089536270 1360495293 /nfs/dbraw/zinc/49/52/93/1360495293.db2.gz APGLIHANHOVNMA-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@H+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089536270 1360495294 /nfs/dbraw/zinc/49/52/94/1360495294.db2.gz APGLIHANHOVNMA-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089536270 1360495295 /nfs/dbraw/zinc/49/52/95/1360495295.db2.gz APGLIHANHOVNMA-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001089649088 1360561567 /nfs/dbraw/zinc/56/15/67/1360561567.db2.gz AJWZSILVHGQVRT-MOPGFXCFSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001089649088 1360561571 /nfs/dbraw/zinc/56/15/71/1360561571.db2.gz AJWZSILVHGQVRT-MOPGFXCFSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001089649088 1360561574 /nfs/dbraw/zinc/56/15/74/1360561574.db2.gz AJWZSILVHGQVRT-MOPGFXCFSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089650213 1360563341 /nfs/dbraw/zinc/56/33/41/1360563341.db2.gz WHMKNPCIJGZTFA-IAGOWNOFSA-N 2 1 346.519 3.167 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089650213 1360563345 /nfs/dbraw/zinc/56/33/45/1360563345.db2.gz WHMKNPCIJGZTFA-IAGOWNOFSA-N 2 1 346.519 3.167 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001089671388 1360581483 /nfs/dbraw/zinc/58/14/83/1360581483.db2.gz QOFLWHMZQLCYLM-SFHVURJKSA-N 2 1 342.487 3.355 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC2CC2)CC1 ZINC001089718861 1360621049 /nfs/dbraw/zinc/62/10/49/1360621049.db2.gz WBMBUQBBYFRIAR-IBGZPJMESA-N 2 1 349.563 3.124 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2=CCCCC2)C1 ZINC001089731955 1360636144 /nfs/dbraw/zinc/63/61/44/1360636144.db2.gz ITQRRAHRYKKZRR-RTBURBONSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC2=CCCCC2)C1 ZINC001089731955 1360636147 /nfs/dbraw/zinc/63/61/47/1360636147.db2.gz ITQRRAHRYKKZRR-RTBURBONSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC2=CCCCC2)C1 ZINC001089731955 1360636148 /nfs/dbraw/zinc/63/61/48/1360636148.db2.gz ITQRRAHRYKKZRR-RTBURBONSA-N 2 1 347.547 3.045 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCCC2)C1 ZINC001091319030 1361042646 /nfs/dbraw/zinc/04/26/46/1361042646.db2.gz ZSSGFMLVTRQDEJ-MHJFOBGBSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001091378646 1361068842 /nfs/dbraw/zinc/06/88/42/1361068842.db2.gz RIUKIIHSLVGXNX-MHJFOBGBSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001092602612 1361420058 /nfs/dbraw/zinc/42/00/58/1361420058.db2.gz HLECPAPHWICXQA-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C ZINC001092602612 1361420060 /nfs/dbraw/zinc/42/00/60/1361420060.db2.gz HLECPAPHWICXQA-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C ZINC001092602612 1361420062 /nfs/dbraw/zinc/42/00/62/1361420062.db2.gz HLECPAPHWICXQA-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](C)C1 ZINC001094088629 1361736846 /nfs/dbraw/zinc/73/68/46/1361736846.db2.gz DUGQHBPOFFCNKE-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094434234 1361800210 /nfs/dbraw/zinc/80/02/10/1361800210.db2.gz YQRVROGHAMKRSX-QKNQBKEWSA-N 2 1 347.547 3.164 20 0 EGADMP CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094434234 1361800214 /nfs/dbraw/zinc/80/02/14/1361800214.db2.gz YQRVROGHAMKRSX-QKNQBKEWSA-N 2 1 347.547 3.164 20 0 EGADMP CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CCC[C@@H]12 ZINC001094434234 1361800216 /nfs/dbraw/zinc/80/02/16/1361800216.db2.gz YQRVROGHAMKRSX-QKNQBKEWSA-N 2 1 347.547 3.164 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)c3ccccc3C[NH+](C)C)CCC[C@@H]12 ZINC001094585036 1361871224 /nfs/dbraw/zinc/87/12/24/1361871224.db2.gz KRQVEZSGCHUJKS-TZIWHRDSSA-N 2 1 343.515 3.133 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001095624463 1362188522 /nfs/dbraw/zinc/18/85/22/1362188522.db2.gz DOSRWKNQBJVIQX-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001095624463 1362188524 /nfs/dbraw/zinc/18/85/24/1362188524.db2.gz DOSRWKNQBJVIQX-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001095624463 1362188527 /nfs/dbraw/zinc/18/85/27/1362188527.db2.gz DOSRWKNQBJVIQX-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001095624463 1362188529 /nfs/dbraw/zinc/18/85/29/1362188529.db2.gz DOSRWKNQBJVIQX-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001096100962 1362382939 /nfs/dbraw/zinc/38/29/39/1362382939.db2.gz LEMHTVQZKOLNCX-RDGPPVDQSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1C ZINC001324262498 1387574244 /nfs/dbraw/zinc/57/42/44/1387574244.db2.gz GEERSVOLJUBYSN-RTBURBONSA-N 2 1 345.531 3.369 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001097639457 1363086302 /nfs/dbraw/zinc/08/63/02/1363086302.db2.gz WBVVCFWPHHMILJ-KURKYZTESA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001097639009 1363086326 /nfs/dbraw/zinc/08/63/26/1363086326.db2.gz KXSMYMAFBNVWJP-ZACQAIPSSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001097848979 1363141118 /nfs/dbraw/zinc/14/11/18/1363141118.db2.gz YKMZWAVUZRAOLA-AFYVEPGGSA-N 2 1 345.531 3.083 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1=CCCCC1 ZINC001097848979 1363141122 /nfs/dbraw/zinc/14/11/22/1363141122.db2.gz YKMZWAVUZRAOLA-AFYVEPGGSA-N 2 1 345.531 3.083 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1=CCCCC1 ZINC001097848979 1363141123 /nfs/dbraw/zinc/14/11/23/1363141123.db2.gz YKMZWAVUZRAOLA-AFYVEPGGSA-N 2 1 345.531 3.083 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001097958412 1363180193 /nfs/dbraw/zinc/18/01/93/1363180193.db2.gz OJAQIAJGXSZYED-ZACQAIPSSA-N 2 1 346.519 3.164 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001097958412 1363180196 /nfs/dbraw/zinc/18/01/96/1363180196.db2.gz OJAQIAJGXSZYED-ZACQAIPSSA-N 2 1 346.519 3.164 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001185089622 1387616518 /nfs/dbraw/zinc/61/65/18/1387616518.db2.gz BOVJTKXAUVFUCP-HMTUNPETSA-N 2 1 335.536 3.045 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(C)C ZINC001098191644 1363250498 /nfs/dbraw/zinc/25/04/98/1363250498.db2.gz MDRCBGVHLPTPQH-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C ZINC001098191644 1363250500 /nfs/dbraw/zinc/25/05/00/1363250500.db2.gz MDRCBGVHLPTPQH-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C ZINC001098191644 1363250504 /nfs/dbraw/zinc/25/05/04/1363250504.db2.gz MDRCBGVHLPTPQH-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098835300 1363487568 /nfs/dbraw/zinc/48/75/68/1363487568.db2.gz OFHFJABGHXTZTR-ZVDOUQERSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098835300 1363487570 /nfs/dbraw/zinc/48/75/70/1363487570.db2.gz OFHFJABGHXTZTR-ZVDOUQERSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001098835300 1363487574 /nfs/dbraw/zinc/48/75/74/1363487574.db2.gz OFHFJABGHXTZTR-ZVDOUQERSA-N 2 1 349.563 3.266 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185171478 1387632644 /nfs/dbraw/zinc/63/26/44/1387632644.db2.gz WHWOQAHMOZFPPE-MGBKSAOESA-N 2 1 349.563 3.149 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001099058665 1363599974 /nfs/dbraw/zinc/59/99/74/1363599974.db2.gz ICQQNJYJBOYJJC-ZWOKBUDYSA-N 2 1 346.519 3.023 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001099058665 1363599978 /nfs/dbraw/zinc/59/99/78/1363599978.db2.gz ICQQNJYJBOYJJC-ZWOKBUDYSA-N 2 1 346.519 3.023 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001099153400 1363659141 /nfs/dbraw/zinc/65/91/41/1363659141.db2.gz KFYAMKXVZPDCAR-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCC(C)C)[NH+](C)C ZINC001099239628 1363708222 /nfs/dbraw/zinc/70/82/22/1363708222.db2.gz HUFCXPYDBWAZHN-ROUUACIJSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099258512 1363719337 /nfs/dbraw/zinc/71/93/37/1363719337.db2.gz RQJCVQBRJCXPIJ-KRWDZBQOSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099258512 1363719339 /nfs/dbraw/zinc/71/93/39/1363719339.db2.gz RQJCVQBRJCXPIJ-KRWDZBQOSA-N 2 1 348.535 3.269 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099309215 1363742554 /nfs/dbraw/zinc/74/25/54/1363742554.db2.gz BFFALZOWOWFBDU-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001099309215 1363742558 /nfs/dbraw/zinc/74/25/58/1363742558.db2.gz BFFALZOWOWFBDU-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001099309215 1363742561 /nfs/dbraw/zinc/74/25/61/1363742561.db2.gz BFFALZOWOWFBDU-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCCC(C)C ZINC001099316687 1363746386 /nfs/dbraw/zinc/74/63/86/1363746386.db2.gz ZXUQCLXUAHRQBK-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCC(C)C ZINC001099316687 1363746388 /nfs/dbraw/zinc/74/63/88/1363746388.db2.gz ZXUQCLXUAHRQBK-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCC(C)C ZINC001099316687 1363746390 /nfs/dbraw/zinc/74/63/90/1363746390.db2.gz ZXUQCLXUAHRQBK-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001099347706 1363764156 /nfs/dbraw/zinc/76/41/56/1363764156.db2.gz AWPFCIRGHAALLS-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1CC([NH2+]CC2CCCC2)C1 ZINC001100346018 1364086506 /nfs/dbraw/zinc/08/65/06/1364086506.db2.gz MAXVGRCNDMTTFS-FAEJEUNOSA-N 2 1 346.519 3.071 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1CC([NH2+]CC2CCCC2)C1 ZINC001100346019 1364086973 /nfs/dbraw/zinc/08/69/73/1364086973.db2.gz MAXVGRCNDMTTFS-ZLPCBKJTSA-N 2 1 346.519 3.071 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(CC)CC ZINC001324544900 1387665076 /nfs/dbraw/zinc/66/50/76/1387665076.db2.gz IFWBJGXNVYRNIQ-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(CC)CC ZINC001324544900 1387665084 /nfs/dbraw/zinc/66/50/84/1387665084.db2.gz IFWBJGXNVYRNIQ-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(CC)CC ZINC001324544900 1387665087 /nfs/dbraw/zinc/66/50/87/1387665087.db2.gz IFWBJGXNVYRNIQ-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001100721659 1364234796 /nfs/dbraw/zinc/23/47/96/1364234796.db2.gz WEGURCGONKZHGZ-AOCRQIFASA-N 2 1 348.535 3.173 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001100721230 1364234821 /nfs/dbraw/zinc/23/48/21/1364234821.db2.gz ILHMXDOSVYOQAD-VOTSOKGWSA-N 2 1 346.519 3.237 20 0 EGADMP CCCCCC[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001100729924 1364238114 /nfs/dbraw/zinc/23/81/14/1364238114.db2.gz VTHZOHQGMWDWLR-UHFFFAOYSA-N 2 1 348.535 3.461 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCCC(C)C)C[C@@]2(C)C1 ZINC001101257577 1364488702 /nfs/dbraw/zinc/48/87/02/1364488702.db2.gz AYBAVUXVPWMJNH-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCCC(C)C)C[C@@]2(C)C1 ZINC001101257577 1364488705 /nfs/dbraw/zinc/48/87/05/1364488705.db2.gz AYBAVUXVPWMJNH-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCCC(C)C)C[C@@]2(C)C1 ZINC001101257577 1364488707 /nfs/dbraw/zinc/48/87/07/1364488707.db2.gz AYBAVUXVPWMJNH-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCC(C)(C)C)C[C@@]2(C)C1 ZINC001101279318 1364496922 /nfs/dbraw/zinc/49/69/22/1364496922.db2.gz LEPHGJLMNCRKHF-LQWHRVPQSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCCC(C)(C)C)C[C@@]2(C)C1 ZINC001101279318 1364496924 /nfs/dbraw/zinc/49/69/24/1364496924.db2.gz LEPHGJLMNCRKHF-LQWHRVPQSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@@]2(C)C1 ZINC001101279318 1364496925 /nfs/dbraw/zinc/49/69/25/1364496925.db2.gz LEPHGJLMNCRKHF-LQWHRVPQSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@]2(C)C1 ZINC001101310775 1364505262 /nfs/dbraw/zinc/50/52/62/1364505262.db2.gz YIAAUBALSAKEIW-QUCCMNQESA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001101402400 1364546300 /nfs/dbraw/zinc/54/63/00/1364546300.db2.gz HCMHTAGXHWQIGA-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001101574731 1364629093 /nfs/dbraw/zinc/62/90/93/1364629093.db2.gz BDWMYECTOMRAKJ-HKUYNNGSSA-N 2 1 349.563 3.005 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001102191393 1364924688 /nfs/dbraw/zinc/92/46/88/1364924688.db2.gz ZKHNRSJCQHUGOM-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102431957 1365052008 /nfs/dbraw/zinc/05/20/08/1365052008.db2.gz DHCFUADMLNLTMP-QZTJIDSGSA-N 2 1 348.535 3.271 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102431957 1365052012 /nfs/dbraw/zinc/05/20/12/1365052012.db2.gz DHCFUADMLNLTMP-QZTJIDSGSA-N 2 1 348.535 3.271 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001185444829 1387718265 /nfs/dbraw/zinc/71/82/65/1387718265.db2.gz CASOTQDNIIPYBZ-QUCCMNQESA-N 2 1 349.563 3.293 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001102595814 1365130022 /nfs/dbraw/zinc/13/00/22/1365130022.db2.gz XZHLDGURTJOEDC-YLJYHZDGSA-N 2 1 345.531 3.236 20 0 EGADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102598919 1365131314 /nfs/dbraw/zinc/13/13/14/1365131314.db2.gz GCVNACSFGPGNKC-UYAOXDASSA-N 2 1 347.547 3.047 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103004904 1365334239 /nfs/dbraw/zinc/33/42/39/1365334239.db2.gz FKQUTGXAZPLHDW-APJDINJDSA-N 2 1 349.563 3.147 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001103004904 1365334242 /nfs/dbraw/zinc/33/42/42/1365334242.db2.gz FKQUTGXAZPLHDW-APJDINJDSA-N 2 1 349.563 3.147 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001103004904 1365334245 /nfs/dbraw/zinc/33/42/45/1365334245.db2.gz FKQUTGXAZPLHDW-APJDINJDSA-N 2 1 349.563 3.147 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC001103085052 1365373189 /nfs/dbraw/zinc/37/31/89/1365373189.db2.gz BPUUGHHTISCRNC-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001185547498 1387745049 /nfs/dbraw/zinc/74/50/49/1387745049.db2.gz HZQRMIXYWUWEKI-JCMVTEASSA-N 2 1 337.552 3.149 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001185546833 1387745255 /nfs/dbraw/zinc/74/52/55/1387745255.db2.gz DSHUDWUTNSAKDV-OALUTQOASA-N 2 1 339.568 3.373 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103375113 1365523135 /nfs/dbraw/zinc/52/31/35/1365523135.db2.gz ZRTRJOGGTWFNMC-YZBXUTEPSA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CCC)C1 ZINC001103662557 1365710720 /nfs/dbraw/zinc/71/07/20/1365710720.db2.gz BBQODZQSGUXETB-YZBXUTEPSA-N 2 1 337.552 3.149 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662557 1365710724 /nfs/dbraw/zinc/71/07/24/1365710724.db2.gz BBQODZQSGUXETB-YZBXUTEPSA-N 2 1 337.552 3.149 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662557 1365710725 /nfs/dbraw/zinc/71/07/25/1365710725.db2.gz BBQODZQSGUXETB-YZBXUTEPSA-N 2 1 337.552 3.149 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662646 1365710960 /nfs/dbraw/zinc/71/09/60/1365710960.db2.gz IDGPDHPNORNTGJ-RTBURBONSA-N 2 1 339.568 3.373 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CCC)C1 ZINC001103662646 1365710963 /nfs/dbraw/zinc/71/09/63/1365710963.db2.gz IDGPDHPNORNTGJ-RTBURBONSA-N 2 1 339.568 3.373 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CCC)C1 ZINC001103662646 1365710967 /nfs/dbraw/zinc/71/09/67/1365710967.db2.gz IDGPDHPNORNTGJ-RTBURBONSA-N 2 1 339.568 3.373 20 0 EGADMP CC(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001103758122 1365767478 /nfs/dbraw/zinc/76/74/78/1365767478.db2.gz CBHXZRDMCXBHGM-RLLQIKCJSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001103758122 1365767480 /nfs/dbraw/zinc/76/74/80/1365767480.db2.gz CBHXZRDMCXBHGM-RLLQIKCJSA-N 2 1 345.531 3.020 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1)CC(C)(C)C ZINC001185724222 1387785161 /nfs/dbraw/zinc/78/51/61/1387785161.db2.gz VAFCYYMHHDKSJZ-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001104742937 1366153804 /nfs/dbraw/zinc/15/38/04/1366153804.db2.gz SPGLTLJTRPKBSJ-QZTJIDSGSA-N 2 1 348.535 3.127 20 0 EGADMP CC[C@H](C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396201 1366444484 /nfs/dbraw/zinc/44/44/84/1366444484.db2.gz JLFRKZSNNXYTTL-FXAWDEMLSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396204 1366444710 /nfs/dbraw/zinc/44/47/10/1366444710.db2.gz JLFRKZSNNXYTTL-YLJYHZDGSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@H]2[NH+](CC(C)C)CC23CCC3)CC1 ZINC001105396745 1366445301 /nfs/dbraw/zinc/44/53/01/1366445301.db2.gz UUCYOUBVQDMETP-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@H]2[N@H+](CC(C)C)CC23CCC3)CC1 ZINC001105396745 1366445302 /nfs/dbraw/zinc/44/53/02/1366445302.db2.gz UUCYOUBVQDMETP-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@H]2[N@@H+](CC(C)C)CC23CCC3)CC1 ZINC001105396745 1366445303 /nfs/dbraw/zinc/44/53/03/1366445303.db2.gz UUCYOUBVQDMETP-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105544870 1366521554 /nfs/dbraw/zinc/52/15/54/1366521554.db2.gz WUKYBCNARKBOEI-RBUKOAKNSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CC[C@@H](C)C2)CCC1 ZINC001105563070 1366532198 /nfs/dbraw/zinc/53/21/98/1366532198.db2.gz CDKNQTYQMSMGTP-RTBURBONSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C1(C[NH2+]CC(C)C)CCC1 ZINC001105572128 1366538717 /nfs/dbraw/zinc/53/87/17/1366538717.db2.gz IYYGTMFIDXVHMY-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001106151205 1366614462 /nfs/dbraw/zinc/61/44/62/1366614462.db2.gz MHKVRULJJVCGKX-FGTMMUONSA-N 2 1 348.535 3.271 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328993 1366930388 /nfs/dbraw/zinc/93/03/88/1366930388.db2.gz DTBXDMLFAGSGRQ-FXLSLFEWSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107328993 1366930390 /nfs/dbraw/zinc/93/03/90/1366930390.db2.gz DTBXDMLFAGSGRQ-FXLSLFEWSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107328993 1366930392 /nfs/dbraw/zinc/93/03/92/1366930392.db2.gz DTBXDMLFAGSGRQ-FXLSLFEWSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107495464 1366993958 /nfs/dbraw/zinc/99/39/58/1366993958.db2.gz OHWBCEDZJJZHLD-WIYYLYMNSA-N 2 1 347.547 3.188 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107524420 1367019065 /nfs/dbraw/zinc/01/90/65/1367019065.db2.gz ZGHYQOBTIIMMDF-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107552461 1367038663 /nfs/dbraw/zinc/03/86/63/1367038663.db2.gz NPUFWKIZKKVXQL-WIYYLYMNSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107552461 1367038669 /nfs/dbraw/zinc/03/86/69/1367038669.db2.gz NPUFWKIZKKVXQL-WIYYLYMNSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107552461 1367038673 /nfs/dbraw/zinc/03/86/73/1367038673.db2.gz NPUFWKIZKKVXQL-WIYYLYMNSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107598650 1367065535 /nfs/dbraw/zinc/06/55/35/1367065535.db2.gz PFABFSYZHMUTKE-YKMDAGRBSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001107598650 1367065538 /nfs/dbraw/zinc/06/55/38/1367065538.db2.gz PFABFSYZHMUTKE-YKMDAGRBSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001107598650 1367065543 /nfs/dbraw/zinc/06/55/43/1367065543.db2.gz PFABFSYZHMUTKE-YKMDAGRBSA-N 2 1 335.536 3.045 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632041 1367084244 /nfs/dbraw/zinc/08/42/44/1367084244.db2.gz NJLANNDGWNZHEJ-FXLSLFEWSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107632041 1367084253 /nfs/dbraw/zinc/08/42/53/1367084253.db2.gz NJLANNDGWNZHEJ-FXLSLFEWSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107632041 1367084255 /nfs/dbraw/zinc/08/42/55/1367084255.db2.gz NJLANNDGWNZHEJ-FXLSLFEWSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107646074 1367090232 /nfs/dbraw/zinc/09/02/32/1367090232.db2.gz ARHVXMMQDJPNKU-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1)C1CCC1 ZINC001109410856 1367109053 /nfs/dbraw/zinc/10/90/53/1367109053.db2.gz YMPLRBBJCLQUPC-AABGKKOBSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1)C1CCC1 ZINC001109410856 1367109055 /nfs/dbraw/zinc/10/90/55/1367109055.db2.gz YMPLRBBJCLQUPC-AABGKKOBSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1)C1CCC1 ZINC001109410856 1367109059 /nfs/dbraw/zinc/10/90/59/1367109059.db2.gz YMPLRBBJCLQUPC-AABGKKOBSA-N 2 1 347.547 3.163 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001109473905 1367146065 /nfs/dbraw/zinc/14/60/65/1367146065.db2.gz JRQFVWISBMPKPP-CTKDGEJNSA-N 2 1 347.547 3.185 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001109473905 1367146073 /nfs/dbraw/zinc/14/60/73/1367146073.db2.gz JRQFVWISBMPKPP-CTKDGEJNSA-N 2 1 347.547 3.185 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001109473905 1367146082 /nfs/dbraw/zinc/14/60/82/1367146082.db2.gz JRQFVWISBMPKPP-CTKDGEJNSA-N 2 1 347.547 3.185 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001186067788 1387858491 /nfs/dbraw/zinc/85/84/91/1387858491.db2.gz WYMOHXFRBCMUFY-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP Cc1cnc2cc(C(=O)N3CC[C@@H]([N@@H+](C)CCC(C)(C)C)C3)ccn12 ZINC001190178462 1367192915 /nfs/dbraw/zinc/19/29/15/1367192915.db2.gz WKCIXUOWERLFLC-QGZVFWFLSA-N 2 1 342.487 3.225 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCC2)CCCCC1 ZINC001109560536 1367198407 /nfs/dbraw/zinc/19/84/07/1367198407.db2.gz GGWZWPVFLRGRKN-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H](C(=O)NC[C@]1(C)CCC[N@@H+](CCC2CCCC2)C1)[NH+](C)C ZINC001324960908 1387856032 /nfs/dbraw/zinc/85/60/32/1387856032.db2.gz KQHHPKQEQREXBX-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001190363362 1367240886 /nfs/dbraw/zinc/24/08/86/1367240886.db2.gz HZZLQSCKWSAHBH-RBUKOAKNSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001190363362 1367240891 /nfs/dbraw/zinc/24/08/91/1367240891.db2.gz HZZLQSCKWSAHBH-RBUKOAKNSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001190363362 1367240894 /nfs/dbraw/zinc/24/08/94/1367240894.db2.gz HZZLQSCKWSAHBH-RBUKOAKNSA-N 2 1 349.563 3.076 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001109635582 1367255416 /nfs/dbraw/zinc/25/54/16/1367255416.db2.gz JNDSDZTZMQKPHI-CFXMGXPISA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001109635582 1367255420 /nfs/dbraw/zinc/25/54/20/1367255420.db2.gz JNDSDZTZMQKPHI-CFXMGXPISA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001109635582 1367255424 /nfs/dbraw/zinc/25/54/24/1367255424.db2.gz JNDSDZTZMQKPHI-CFXMGXPISA-N 2 1 347.547 3.186 20 0 EGADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1)[NH+](CC)CC ZINC001109714671 1367290153 /nfs/dbraw/zinc/29/01/53/1367290153.db2.gz RZGDKOJZHRVXDD-WCIQWLHISA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1)[NH+](CC)CC ZINC001109714592 1367290362 /nfs/dbraw/zinc/29/03/62/1367290362.db2.gz PQFCSAFAHKCSDW-WCIQWLHISA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH+](C)CCCC2CCC2)C1 ZINC001190653108 1367317410 /nfs/dbraw/zinc/31/74/10/1367317410.db2.gz BYWFUCGJOAKIJP-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1 ZINC001190653108 1367317416 /nfs/dbraw/zinc/31/74/16/1367317416.db2.gz BYWFUCGJOAKIJP-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001190653108 1367317420 /nfs/dbraw/zinc/31/74/20/1367317420.db2.gz BYWFUCGJOAKIJP-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001190996226 1367397401 /nfs/dbraw/zinc/39/74/01/1367397401.db2.gz BBCCYYMUFMQUPH-IEBWSBKVSA-N 2 1 345.531 3.319 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001190996474 1367398913 /nfs/dbraw/zinc/39/89/13/1367398913.db2.gz FTFBTGLCQSWVNS-JKSUJKDBSA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001190996474 1367398919 /nfs/dbraw/zinc/39/89/19/1367398919.db2.gz FTFBTGLCQSWVNS-JKSUJKDBSA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001190996474 1367398925 /nfs/dbraw/zinc/39/89/25/1367398925.db2.gz FTFBTGLCQSWVNS-JKSUJKDBSA-N 2 1 349.494 3.150 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001190997175 1367399326 /nfs/dbraw/zinc/39/93/26/1367399326.db2.gz RTNICNDGIWUMOM-QAPCUYQASA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001190997175 1367399327 /nfs/dbraw/zinc/39/93/27/1367399327.db2.gz RTNICNDGIWUMOM-QAPCUYQASA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001190997175 1367399332 /nfs/dbraw/zinc/39/93/32/1367399332.db2.gz RTNICNDGIWUMOM-QAPCUYQASA-N 2 1 349.494 3.150 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1ccccc1C ZINC001109928392 1367408816 /nfs/dbraw/zinc/40/88/16/1367408816.db2.gz UJWWIMPYZTXBHX-HNJRGHQBSA-N 2 1 343.515 3.119 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ccccc1C ZINC001109928392 1367408818 /nfs/dbraw/zinc/40/88/18/1367408818.db2.gz UJWWIMPYZTXBHX-HNJRGHQBSA-N 2 1 343.515 3.119 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ccccc1C ZINC001109928392 1367408821 /nfs/dbraw/zinc/40/88/21/1367408821.db2.gz UJWWIMPYZTXBHX-HNJRGHQBSA-N 2 1 343.515 3.119 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C ZINC001109968923 1367434545 /nfs/dbraw/zinc/43/45/45/1367434545.db2.gz IYJZDUYBVYZLEY-QYZOEREBSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001191223778 1367449923 /nfs/dbraw/zinc/44/99/23/1367449923.db2.gz PYHZQOBHIDUDNS-PMACEKPBSA-N 2 1 338.511 3.416 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(F)ccc2C)C[C@@H]1C ZINC001191416463 1367498863 /nfs/dbraw/zinc/49/88/63/1367498863.db2.gz IFTKDAXQAMDASI-RDJZCZTQSA-N 2 1 335.467 3.267 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cc(F)ccc2C)C[C@@H]1C ZINC001191416463 1367498867 /nfs/dbraw/zinc/49/88/67/1367498867.db2.gz IFTKDAXQAMDASI-RDJZCZTQSA-N 2 1 335.467 3.267 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc(F)ccc2C)C[C@@H]1C ZINC001191416463 1367498868 /nfs/dbraw/zinc/49/88/68/1367498868.db2.gz IFTKDAXQAMDASI-RDJZCZTQSA-N 2 1 335.467 3.267 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110114879 1367507931 /nfs/dbraw/zinc/50/79/31/1367507931.db2.gz LVTQGFRNESGQFA-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)C ZINC001110158050 1367530412 /nfs/dbraw/zinc/53/04/12/1367530412.db2.gz GAGZEQFVEFTNPX-YDZRNGNQSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)C ZINC001110158050 1367530413 /nfs/dbraw/zinc/53/04/13/1367530413.db2.gz GAGZEQFVEFTNPX-YDZRNGNQSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C ZINC001110158050 1367530418 /nfs/dbraw/zinc/53/04/18/1367530418.db2.gz GAGZEQFVEFTNPX-YDZRNGNQSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684102 1367560536 /nfs/dbraw/zinc/56/05/36/1367560536.db2.gz NUFGFKWLJNYEJM-MSOLQXFVSA-N 2 1 337.552 3.076 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001191923479 1367641300 /nfs/dbraw/zinc/64/13/00/1367641300.db2.gz WPBSCTQEIAQUEE-ILWWCXPUSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001191923479 1367641302 /nfs/dbraw/zinc/64/13/02/1367641302.db2.gz WPBSCTQEIAQUEE-ILWWCXPUSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001191923479 1367641307 /nfs/dbraw/zinc/64/13/07/1367641307.db2.gz WPBSCTQEIAQUEE-ILWWCXPUSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192406910 1367775028 /nfs/dbraw/zinc/77/50/28/1367775028.db2.gz OXNXDRQIBBBYOH-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192406910 1367775030 /nfs/dbraw/zinc/77/50/30/1367775030.db2.gz OXNXDRQIBBBYOH-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192406910 1367775024 /nfs/dbraw/zinc/77/50/24/1367775024.db2.gz OXNXDRQIBBBYOH-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001110576665 1367843862 /nfs/dbraw/zinc/84/38/62/1367843862.db2.gz VELGCFPSJDOKCU-SHNQHYOOSA-N 2 1 347.547 3.185 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001110576665 1367843866 /nfs/dbraw/zinc/84/38/66/1367843866.db2.gz VELGCFPSJDOKCU-SHNQHYOOSA-N 2 1 347.547 3.185 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001110576665 1367843873 /nfs/dbraw/zinc/84/38/73/1367843873.db2.gz VELGCFPSJDOKCU-SHNQHYOOSA-N 2 1 347.547 3.185 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCC(C)(C)C)C1 ZINC001192672621 1367847383 /nfs/dbraw/zinc/84/73/83/1367847383.db2.gz WDERMLBRJXQNSQ-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001192672621 1367847391 /nfs/dbraw/zinc/84/73/91/1367847391.db2.gz WDERMLBRJXQNSQ-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001192672621 1367847396 /nfs/dbraw/zinc/84/73/96/1367847396.db2.gz WDERMLBRJXQNSQ-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110661596 1367904147 /nfs/dbraw/zinc/90/41/47/1367904147.db2.gz ZMAQAPRFWAKRRK-ZFTSPJNCSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110661596 1367904153 /nfs/dbraw/zinc/90/41/53/1367904153.db2.gz ZMAQAPRFWAKRRK-ZFTSPJNCSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001110661596 1367904157 /nfs/dbraw/zinc/90/41/57/1367904157.db2.gz ZMAQAPRFWAKRRK-ZFTSPJNCSA-N 2 1 347.547 3.327 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1)C(C)C ZINC001192917651 1367904368 /nfs/dbraw/zinc/90/43/68/1367904368.db2.gz PVNTUKRHCANMRJ-ROUUACIJSA-N 2 1 343.531 3.025 20 0 EGADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1)C1CC1 ZINC001110666818 1367906782 /nfs/dbraw/zinc/90/67/82/1367906782.db2.gz WKZDBIJZYZXJJJ-ZRNYENFQSA-N 2 1 347.547 3.019 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110808408 1368002524 /nfs/dbraw/zinc/00/25/24/1368002524.db2.gz DWJCFBXFBKRJKA-YOOHZWDDSA-N 2 1 338.455 3.026 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193382039 1368016185 /nfs/dbraw/zinc/01/61/85/1368016185.db2.gz FKNKOXZOQLAFEJ-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CC=C(C)C)C1 ZINC001193383698 1368017351 /nfs/dbraw/zinc/01/73/51/1368017351.db2.gz WRONVQVBDSEFTE-RTBURBONSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC=C(C)C)C1 ZINC001193383698 1368017354 /nfs/dbraw/zinc/01/73/54/1368017354.db2.gz WRONVQVBDSEFTE-RTBURBONSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001193383698 1368017359 /nfs/dbraw/zinc/01/73/59/1368017359.db2.gz WRONVQVBDSEFTE-RTBURBONSA-N 2 1 335.536 3.140 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001193610459 1368074057 /nfs/dbraw/zinc/07/40/57/1368074057.db2.gz PIJZHRYTNWVUQN-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001193610459 1368074061 /nfs/dbraw/zinc/07/40/61/1368074061.db2.gz PIJZHRYTNWVUQN-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001193610459 1368074066 /nfs/dbraw/zinc/07/40/66/1368074066.db2.gz PIJZHRYTNWVUQN-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@H](CC)c2ccc(F)cc2)C1 ZINC001193639555 1368081979 /nfs/dbraw/zinc/08/19/79/1368081979.db2.gz AUENHYCFFBQOKX-RBUKOAKNSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)[C@H](CC)c2ccc(F)cc2)C1 ZINC001193639555 1368081985 /nfs/dbraw/zinc/08/19/85/1368081985.db2.gz AUENHYCFFBQOKX-RBUKOAKNSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](CC)c2ccc(F)cc2)C1 ZINC001193639555 1368081990 /nfs/dbraw/zinc/08/19/90/1368081990.db2.gz AUENHYCFFBQOKX-RBUKOAKNSA-N 2 1 349.494 3.151 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001194265208 1368219529 /nfs/dbraw/zinc/21/95/29/1368219529.db2.gz BXQWWMNDZHKFMV-ZSQQTYLHSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001194265208 1368219532 /nfs/dbraw/zinc/21/95/32/1368219532.db2.gz BXQWWMNDZHKFMV-ZSQQTYLHSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001194265208 1368219537 /nfs/dbraw/zinc/21/95/37/1368219537.db2.gz BXQWWMNDZHKFMV-ZSQQTYLHSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194273809 1368220300 /nfs/dbraw/zinc/22/03/00/1368220300.db2.gz BDWYTUZEXPTHCT-WWTANLFGSA-N 2 1 349.563 3.386 20 0 EGADMP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001111284077 1368252634 /nfs/dbraw/zinc/25/26/34/1368252634.db2.gz DGRXICUESFTOIB-SUMDDJOVSA-N 2 1 344.503 3.063 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001111284077 1368252639 /nfs/dbraw/zinc/25/26/39/1368252639.db2.gz DGRXICUESFTOIB-SUMDDJOVSA-N 2 1 344.503 3.063 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111297722 1368257637 /nfs/dbraw/zinc/25/76/37/1368257637.db2.gz QWRDRVMVIDKTNU-NBYUQASBSA-N 2 1 343.515 3.201 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001111298786 1368258590 /nfs/dbraw/zinc/25/85/90/1368258590.db2.gz QMCBLAIWPZIHFF-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415980 1368304315 /nfs/dbraw/zinc/30/43/15/1368304315.db2.gz CYRHDPXKDHYRQC-QRVBRYPASA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111467714 1368312894 /nfs/dbraw/zinc/31/28/94/1368312894.db2.gz SRJSFJJWLMULSU-YSTOQKLRSA-N 2 1 349.563 3.265 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782808 1368460583 /nfs/dbraw/zinc/46/05/83/1368460583.db2.gz ZBXCVJGJSSWZPM-ZVDOUQERSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001111782808 1368460586 /nfs/dbraw/zinc/46/05/86/1368460586.db2.gz ZBXCVJGJSSWZPM-ZVDOUQERSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001111782808 1368460588 /nfs/dbraw/zinc/46/05/88/1368460588.db2.gz ZBXCVJGJSSWZPM-ZVDOUQERSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001111870610 1368518215 /nfs/dbraw/zinc/51/82/15/1368518215.db2.gz GQTLNDAALUIPSR-NGVHCFEESA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001111870610 1368518220 /nfs/dbraw/zinc/51/82/20/1368518220.db2.gz GQTLNDAALUIPSR-NGVHCFEESA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001111870610 1368518221 /nfs/dbraw/zinc/51/82/21/1368518221.db2.gz GQTLNDAALUIPSR-NGVHCFEESA-N 2 1 347.547 3.188 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001111870724 1368518255 /nfs/dbraw/zinc/51/82/55/1368518255.db2.gz LOQJXQAJJXSISK-BJLQDIEVSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001111870724 1368518258 /nfs/dbraw/zinc/51/82/58/1368518258.db2.gz LOQJXQAJJXSISK-BJLQDIEVSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001111870724 1368518263 /nfs/dbraw/zinc/51/82/63/1368518263.db2.gz LOQJXQAJJXSISK-BJLQDIEVSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001111890843 1368535758 /nfs/dbraw/zinc/53/57/58/1368535758.db2.gz BOXYPHUTPWGAMK-ZJOUEHCJSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC)C2 ZINC001111903791 1368547596 /nfs/dbraw/zinc/54/75/96/1368547596.db2.gz PXTJGWKZJWGMOX-ICSRJNTNSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC)C2 ZINC001111903791 1368547603 /nfs/dbraw/zinc/54/76/03/1368547603.db2.gz PXTJGWKZJWGMOX-ICSRJNTNSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC)C2 ZINC001111903791 1368547607 /nfs/dbraw/zinc/54/76/07/1368547607.db2.gz PXTJGWKZJWGMOX-ICSRJNTNSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001196717899 1368668870 /nfs/dbraw/zinc/66/88/70/1368668870.db2.gz FFFNXWVWQPAPLY-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC001196935383 1368716513 /nfs/dbraw/zinc/71/65/13/1368716513.db2.gz HNRCKKNBMQITQO-RTWAWAEBSA-N 2 1 348.506 3.316 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[NH+](CCC2=CCCCC2)CC1)CC(C)(C)C ZINC001197188049 1368761204 /nfs/dbraw/zinc/76/12/04/1368761204.db2.gz STXTZKPOKQKRTH-UHFFFAOYSA-N 2 1 349.563 3.389 20 0 EGADMP C[NH+](CC(=O)N1CCC[N@H+](CCC2=CCCCC2)CC1)CC(C)(C)C ZINC001197188049 1368761209 /nfs/dbraw/zinc/76/12/09/1368761209.db2.gz STXTZKPOKQKRTH-UHFFFAOYSA-N 2 1 349.563 3.389 20 0 EGADMP C[NH+](CC(=O)N1CCC[N@@H+](CCC2=CCCCC2)CC1)CC(C)(C)C ZINC001197188049 1368761212 /nfs/dbraw/zinc/76/12/12/1368761212.db2.gz STXTZKPOKQKRTH-UHFFFAOYSA-N 2 1 349.563 3.389 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001197330879 1368789524 /nfs/dbraw/zinc/78/95/24/1368789524.db2.gz FBUXUOMEZGNCBC-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197477966 1368822515 /nfs/dbraw/zinc/82/25/15/1368822515.db2.gz RAFLTARYFHCSEU-SFHVURJKSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCCCC2)C1 ZINC001112567817 1368930796 /nfs/dbraw/zinc/93/07/96/1368930796.db2.gz JXCIAECRSBLVBY-FPOVZHCZSA-N 2 1 349.563 3.127 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001198129155 1368964930 /nfs/dbraw/zinc/96/49/30/1368964930.db2.gz JIBCPSGEHUMBQK-UHFFFAOYSA-N 2 1 347.547 3.287 20 0 EGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001198968470 1369161225 /nfs/dbraw/zinc/16/12/25/1369161225.db2.gz IXUDOKWRGYFFMV-ZACQAIPSSA-N 2 1 335.561 3.451 20 0 EGADMP C[NH+](C)CCc1ccc(NC(=O)c2c[nH+]ccc2N2CCCC2)cc1 ZINC001199370182 1369215827 /nfs/dbraw/zinc/21/58/27/1369215827.db2.gz DNLRPDZPTWGHTN-UHFFFAOYSA-N 2 1 338.455 3.038 20 0 EGADMP O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001200578030 1369393800 /nfs/dbraw/zinc/39/38/00/1369393800.db2.gz KCSCODQETIAIJC-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP CC/C=C/CC[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001200645047 1369404759 /nfs/dbraw/zinc/40/47/59/1369404759.db2.gz YMVUNWMKDUTGOX-LXXRFIIISA-N 2 1 346.519 3.334 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC([NH2+]C[C@@H](C)CC)CC1 ZINC001200643342 1369404783 /nfs/dbraw/zinc/40/47/83/1369404783.db2.gz BRLDFRUEKUAHRQ-JKSUJKDBSA-N 2 1 334.508 3.023 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C(C)C ZINC001113441664 1369431290 /nfs/dbraw/zinc/43/12/90/1369431290.db2.gz MGPVXXYPAFREJJ-UYAOXDASSA-N 2 1 345.531 3.258 20 0 EGADMP CCCc1ccc(C[NH+]2CCN(C(=O)CC[N@@H+](C)CCC)CC2)cc1 ZINC001113571371 1369496956 /nfs/dbraw/zinc/49/69/56/1369496956.db2.gz KHGNAORDOVLBNJ-UHFFFAOYSA-N 2 1 345.531 3.015 20 0 EGADMP CCCc1ccc(C[NH+]2CCN(C(=O)CC[N@H+](C)CCC)CC2)cc1 ZINC001113571371 1369496959 /nfs/dbraw/zinc/49/69/59/1369496959.db2.gz KHGNAORDOVLBNJ-UHFFFAOYSA-N 2 1 345.531 3.015 20 0 EGADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC001201408218 1369538583 /nfs/dbraw/zinc/53/85/83/1369538583.db2.gz CDAIUYYNCSRNCX-ROUUACIJSA-N 2 1 334.504 3.082 20 0 EGADMP CCCCCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001113682730 1369564227 /nfs/dbraw/zinc/56/42/27/1369564227.db2.gz PUYPXRIXTLZOQQ-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](CCCc3ccccc3)C2)C1 ZINC001201655425 1369597995 /nfs/dbraw/zinc/59/79/95/1369597995.db2.gz OISXCSPQURRJBR-NRFANRHFSA-N 2 1 330.516 3.442 20 0 EGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](CCCc3ccccc3)C2)C1 ZINC001201655425 1369597998 /nfs/dbraw/zinc/59/79/98/1369597998.db2.gz OISXCSPQURRJBR-NRFANRHFSA-N 2 1 330.516 3.442 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](CCCc3ccccc3)C2)C1 ZINC001201655425 1369598002 /nfs/dbraw/zinc/59/80/02/1369598002.db2.gz OISXCSPQURRJBR-NRFANRHFSA-N 2 1 330.516 3.442 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](CCCc3ccccc3)C2)C1 ZINC001201655425 1369598007 /nfs/dbraw/zinc/59/80/07/1369598007.db2.gz OISXCSPQURRJBR-NRFANRHFSA-N 2 1 330.516 3.442 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]CC(CC)CC)CC2)C1 ZINC001202144807 1369700511 /nfs/dbraw/zinc/70/05/11/1369700511.db2.gz JZDOBPSWQYXDNE-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001202144795 1369700661 /nfs/dbraw/zinc/70/06/61/1369700661.db2.gz JLNPFNXQQQZIEE-DUMMIQTOSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]CCC(C)(C)C)CC2)C1 ZINC001202145090 1369701193 /nfs/dbraw/zinc/70/11/93/1369701193.db2.gz RWFNFVIRDZKWNC-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001202156791 1369702796 /nfs/dbraw/zinc/70/27/96/1369702796.db2.gz LFQRBFLQMWADBW-IBGZPJMESA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001325666359 1388025596 /nfs/dbraw/zinc/02/55/96/1388025596.db2.gz WYRRSLXIUPAPDG-IYARVYRRSA-N 2 1 348.535 3.175 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CCOC3)C[C@H]21 ZINC001202486487 1369787219 /nfs/dbraw/zinc/78/72/19/1369787219.db2.gz NSVRAEWKDWDTDP-QFHJOOASSA-N 2 1 334.529 3.317 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001202486487 1369787223 /nfs/dbraw/zinc/78/72/23/1369787223.db2.gz NSVRAEWKDWDTDP-QFHJOOASSA-N 2 1 334.529 3.317 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001202486487 1369787228 /nfs/dbraw/zinc/78/72/28/1369787228.db2.gz NSVRAEWKDWDTDP-QFHJOOASSA-N 2 1 334.529 3.317 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001114287078 1369852508 /nfs/dbraw/zinc/85/25/08/1369852508.db2.gz FDCUGBVFJCFYHK-ZKXHPHHLSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001202872257 1369913667 /nfs/dbraw/zinc/91/36/67/1369913667.db2.gz CTBZEQKICLBGJD-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCCCC2)C12CCC2)C1CCC1 ZINC001203026984 1369959050 /nfs/dbraw/zinc/95/90/50/1369959050.db2.gz BGBGMBOIUJAXJO-RBUKOAKNSA-N 2 1 347.547 3.068 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2)C1CCC1 ZINC001203035994 1369962754 /nfs/dbraw/zinc/96/27/54/1369962754.db2.gz IRHJVWYHRUTJKO-ZWKOTPCHSA-N 2 1 349.563 3.314 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2)C1CCC1 ZINC001203035993 1369962788 /nfs/dbraw/zinc/96/27/88/1369962788.db2.gz IRHJVWYHRUTJKO-ROUUACIJSA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC([NH2+]C/C=C/Cl)CC1)c1ccccc1 ZINC001203312224 1370077414 /nfs/dbraw/zinc/07/74/14/1370077414.db2.gz BJLCYFSQCCNFAD-VWGXWWAPSA-N 2 1 349.906 3.013 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203640949 1370197569 /nfs/dbraw/zinc/19/75/69/1370197569.db2.gz KYKXDAZZBKPCFQ-IAGOWNOFSA-N 2 1 337.552 3.172 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203641640 1370199037 /nfs/dbraw/zinc/19/90/37/1370199037.db2.gz SQQTXXDUONSMQC-DFOOCIKTSA-N 2 1 335.536 3.092 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203791215 1370265941 /nfs/dbraw/zinc/26/59/41/1370265941.db2.gz FKEWSDCGQGYGRB-MOPGFXCFSA-N 2 1 347.547 3.234 20 0 EGADMP COc1cccc(CN2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001203822471 1370278010 /nfs/dbraw/zinc/27/80/10/1370278010.db2.gz RGYHLOJKHLNEJJ-PZJWPPBQSA-N 2 1 344.499 3.018 20 0 EGADMP COc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)cc1OC ZINC001203835147 1370283814 /nfs/dbraw/zinc/28/38/14/1370283814.db2.gz JCHVCWRVWFXDEX-UHFFFAOYSA-N 2 1 341.455 3.146 20 0 EGADMP CC(C)c1ccc(C[NH2+]C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)cc1 ZINC001203925015 1370316943 /nfs/dbraw/zinc/31/69/43/1370316943.db2.gz IKUZMBSHXRVYRB-UHFFFAOYSA-N 2 1 345.531 3.231 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001204076091 1370368702 /nfs/dbraw/zinc/36/87/02/1370368702.db2.gz JFAYQVICIONVLJ-UHFFFAOYSA-N 2 1 345.531 3.279 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001204076091 1370368706 /nfs/dbraw/zinc/36/87/06/1370368706.db2.gz JFAYQVICIONVLJ-UHFFFAOYSA-N 2 1 345.531 3.279 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC001204270144 1370427746 /nfs/dbraw/zinc/42/77/46/1370427746.db2.gz QFOORDYQBWPOQD-FQEVSTJZSA-N 2 1 332.488 3.020 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001115543676 1370540120 /nfs/dbraw/zinc/54/01/20/1370540120.db2.gz VMGRPQKLDMMDFD-SJLPKXTDSA-N 2 1 337.552 3.172 20 0 EGADMP COc1cccc(Sc2ccccc2C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC001204704360 1370549839 /nfs/dbraw/zinc/54/98/39/1370549839.db2.gz BTTKFTCOYRVFHH-IAGOWNOFSA-N 2 1 340.492 3.498 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115571684 1370573916 /nfs/dbraw/zinc/57/39/16/1370573916.db2.gz KFDWASRCHGBOGL-IBGZPJMESA-N 2 1 349.563 3.458 20 0 EGADMP C[N@@H+](CC(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1)C1CCC1 ZINC001115574772 1370577688 /nfs/dbraw/zinc/57/76/88/1370577688.db2.gz PJJKFYAVXYPJLY-UHFFFAOYSA-N 2 1 349.563 3.460 20 0 EGADMP C[N@@H+](CC(=O)NCC1([NH2+]CCCCCF)CCCCC1)C1CCC1 ZINC001115574910 1370577797 /nfs/dbraw/zinc/57/77/97/1370577797.db2.gz XXWXKKHSEMEJMF-UHFFFAOYSA-N 2 1 341.515 3.019 20 0 EGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC001204850984 1370590419 /nfs/dbraw/zinc/59/04/19/1370590419.db2.gz RHBFPHVOFCOOII-UHFFFAOYSA-N 2 1 333.382 3.314 20 0 EGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+](C)Cc1ccccc1Br ZINC001204877770 1370595109 /nfs/dbraw/zinc/59/51/09/1370595109.db2.gz PFFXGWMJELVMMQ-DGCLKSJQSA-N 2 1 347.247 3.372 20 0 EGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+](C)Cc1ccccc1Br ZINC001204877770 1370595113 /nfs/dbraw/zinc/59/51/13/1370595113.db2.gz PFFXGWMJELVMMQ-DGCLKSJQSA-N 2 1 347.247 3.372 20 0 EGADMP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001115591907 1370592877 /nfs/dbraw/zinc/59/28/77/1370592877.db2.gz KKJHYZQZBWWPJT-RBUKOAKNSA-N 2 1 347.547 3.212 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc3ccc(Br)cc3[nH]2)C1 ZINC001205009615 1370627591 /nfs/dbraw/zinc/62/75/91/1370627591.db2.gz ZEOBODXAXQVCFI-LBPRGKRZSA-N 2 1 336.277 3.362 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc3ccc(Br)cc3[nH]2)C1 ZINC001205009615 1370627595 /nfs/dbraw/zinc/62/75/95/1370627595.db2.gz ZEOBODXAXQVCFI-LBPRGKRZSA-N 2 1 336.277 3.362 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)CC1 ZINC001205228409 1370687900 /nfs/dbraw/zinc/68/79/00/1370687900.db2.gz FQRHLBFPMZVVOF-AWEZNQCLSA-N 2 1 336.785 3.035 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)CC1 ZINC001205239462 1370692058 /nfs/dbraw/zinc/69/20/58/1370692058.db2.gz BQWIDJDFMZHHCV-HXUWFJFHSA-N 2 1 328.431 3.168 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(F)c(-c3ccccc3)c2)CC1 ZINC001205247376 1370694563 /nfs/dbraw/zinc/69/45/63/1370694563.db2.gz GHVVWCINDQEQBN-FQEVSTJZSA-N 2 1 328.431 3.168 20 0 EGADMP CC[C@H](C)C[NH2+]C1(CNC(=O)C[N@H+]2CCC(C)(C)C2)CCCCC1 ZINC001115730018 1370712523 /nfs/dbraw/zinc/71/25/23/1370712523.db2.gz BBDIBAGPBHMDKS-KRWDZBQOSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc(C)c1Br ZINC001205304335 1370713542 /nfs/dbraw/zinc/71/35/42/1370713542.db2.gz NWGXVTBNSCVPCJ-XHDPSFHLSA-N 2 1 325.294 3.483 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc(C)c1Br ZINC001205304335 1370713546 /nfs/dbraw/zinc/71/35/46/1370713546.db2.gz NWGXVTBNSCVPCJ-XHDPSFHLSA-N 2 1 325.294 3.483 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c2c(OC)cccc12 ZINC001205303843 1370714366 /nfs/dbraw/zinc/71/43/66/1370714366.db2.gz LLJMATNRGPCIDA-ZBFHGGJFSA-N 2 1 328.456 3.274 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(C)cc1Br ZINC001205317801 1370719918 /nfs/dbraw/zinc/71/99/18/1370719918.db2.gz QLQRTWBZWACXCK-ABAIWWIYSA-N 2 1 325.294 3.483 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(C)cc1Br ZINC001205317801 1370719921 /nfs/dbraw/zinc/71/99/21/1370719921.db2.gz QLQRTWBZWACXCK-ABAIWWIYSA-N 2 1 325.294 3.483 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc3ncc(Br)cc3c2)C[C@@H]1C[NH3+] ZINC001205317679 1370720011 /nfs/dbraw/zinc/72/00/11/1370720011.db2.gz PLKWYUNQFHUGAO-DOMZBBRYSA-N 2 1 348.288 3.414 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(C[NH2+]C[C@@H](C)CC)CC1 ZINC001205339548 1370726192 /nfs/dbraw/zinc/72/61/92/1370726192.db2.gz HZDWLIZIVILGOW-DLBZAZTESA-N 2 1 348.535 3.271 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001205518776 1370778396 /nfs/dbraw/zinc/77/83/96/1370778396.db2.gz KNYJHQCHATWBCE-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP COc1ccc(Br)cc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545608 1370786519 /nfs/dbraw/zinc/78/65/19/1370786519.db2.gz KEJFPZNDDVOQOD-OAHLLOKOSA-N 2 1 345.256 3.111 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]C[C@H](C)CC(C)C)CCCCC1 ZINC001115805666 1370788977 /nfs/dbraw/zinc/78/89/77/1370788977.db2.gz ANLHBJVNLDTPSC-GOSISDBHSA-N 2 1 339.568 3.419 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cnc(C(F)(F)F)cc2Cl)CC1 ZINC001205570046 1370794551 /nfs/dbraw/zinc/79/45/51/1370794551.db2.gz DHFYFMVDUFYGOC-CYBMUJFWSA-N 2 1 339.764 3.407 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)CC1 ZINC001205570017 1370794646 /nfs/dbraw/zinc/79/46/46/1370794646.db2.gz COFYWWORYCQZGD-CQSZACIVSA-N 2 1 338.320 3.377 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)CC1 ZINC001205570065 1370795215 /nfs/dbraw/zinc/79/52/15/1370795215.db2.gz DUOLSNQSUWPYIZ-CQSZACIVSA-N 2 1 338.320 3.377 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(Br)c1 ZINC001205570073 1370795365 /nfs/dbraw/zinc/79/53/65/1370795365.db2.gz DYLJXUZOJGYICD-OAHLLOKOSA-N 2 1 345.256 3.111 20 0 EGADMP CC(C)Oc1cc(F)c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c(F)c1 ZINC001205600027 1370806546 /nfs/dbraw/zinc/80/65/46/1370806546.db2.gz BANFXTBPGKENHE-QGZVFWFLSA-N 2 1 330.394 3.405 20 0 EGADMP CC(C)Oc1cc(F)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(F)c1 ZINC001205600027 1370806550 /nfs/dbraw/zinc/80/65/50/1370806550.db2.gz BANFXTBPGKENHE-QGZVFWFLSA-N 2 1 330.394 3.405 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205602243 1370806870 /nfs/dbraw/zinc/80/68/70/1370806870.db2.gz HVVMSLPBXNLJCZ-VQIMIIECSA-N 2 1 332.488 3.103 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1C[NH3+] ZINC001205602635 1370807857 /nfs/dbraw/zinc/80/78/57/1370807857.db2.gz KSQSMCUKLNXVBE-WIYYLYMNSA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2Br)CC[C@@H]1C[NH3+] ZINC001205636642 1370820707 /nfs/dbraw/zinc/82/07/07/1370820707.db2.gz FBJDYZQYDABRIP-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2Br)CC[C@@H]1C[NH3+] ZINC001205636642 1370820712 /nfs/dbraw/zinc/82/07/12/1370820712.db2.gz FBJDYZQYDABRIP-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccnc(Cl)c2Br)CC[C@@H]1C[NH3+] ZINC001205636645 1370821306 /nfs/dbraw/zinc/82/13/06/1370821306.db2.gz FBJDYZQYDABRIP-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2Br)CC[C@@H]1C[NH3+] ZINC001205636645 1370821311 /nfs/dbraw/zinc/82/13/11/1370821311.db2.gz FBJDYZQYDABRIP-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Br)n2)CC[C@H]1C[NH3+] ZINC001205637395 1370822017 /nfs/dbraw/zinc/82/20/17/1370822017.db2.gz GQRHYWCGNFSATF-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Br)n2)CC[C@H]1C[NH3+] ZINC001205637395 1370822020 /nfs/dbraw/zinc/82/20/20/1370822020.db2.gz GQRHYWCGNFSATF-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)CC[C@@H]1C[NH3+] ZINC001205636879 1370822173 /nfs/dbraw/zinc/82/21/73/1370822173.db2.gz FUYSOYPPCHRHNE-YLJYHZDGSA-N 2 1 339.483 3.467 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ncc(Cl)cc2Br)CC[C@H]1C[NH3+] ZINC001205651519 1370828278 /nfs/dbraw/zinc/82/82/78/1370828278.db2.gz GDCKMYHZBVMBOS-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ncc(Cl)cc2Br)CC[C@H]1C[NH3+] ZINC001205651519 1370828282 /nfs/dbraw/zinc/82/82/82/1370828282.db2.gz GDCKMYHZBVMBOS-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(O)cc2OC(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205653358 1370828648 /nfs/dbraw/zinc/82/86/48/1370828648.db2.gz SWFAXTVRVSPZBK-NWDGAFQWSA-N 2 1 332.366 3.098 20 0 EGADMP COc1cccc(Br)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205651629 1370829026 /nfs/dbraw/zinc/82/90/26/1370829026.db2.gz HSTPAHFUXXNIPQ-CHWSQXEVSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccnc(Br)c2Cl)CC[C@@H]1C[NH3+] ZINC001205654578 1370830277 /nfs/dbraw/zinc/83/02/77/1370830277.db2.gz XORJRWHTBQKVBU-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccnc(Br)c2Cl)CC[C@@H]1C[NH3+] ZINC001205654578 1370830285 /nfs/dbraw/zinc/83/02/85/1370830285.db2.gz XORJRWHTBQKVBU-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C1 ZINC001205664147 1370834817 /nfs/dbraw/zinc/83/48/17/1370834817.db2.gz MPPQPSQCJIBXGE-MRXNPFEDSA-N 2 1 331.287 3.102 20 0 EGADMP CCCCCCOc1ccccc1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205665693 1370835014 /nfs/dbraw/zinc/83/50/14/1370835014.db2.gz TYOBOYULXSQZCW-HXUWFJFHSA-N 2 1 334.504 3.321 20 0 EGADMP Cc1ccc2[nH+]c(N)n(-c3ccc(C4([NH+]5CCOCC5)CC4)cc3)c2c1 ZINC001205791386 1370872577 /nfs/dbraw/zinc/87/25/77/1370872577.db2.gz PILZWEGQVIWAPS-UHFFFAOYSA-N 2 1 348.450 3.237 20 0 EGADMP CC(C)C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001205922839 1370912561 /nfs/dbraw/zinc/91/25/61/1370912561.db2.gz BNDXQHJGOWDSDX-UHFFFAOYSA-N 2 1 339.483 3.033 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc(C)c1-c1ccc(F)cc1F ZINC001205973356 1370926073 /nfs/dbraw/zinc/92/60/73/1370926073.db2.gz OQIWXAHMRVSJPA-RTBURBONSA-N 2 1 346.421 3.143 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc(C)c1-c1ccc(F)cc1F ZINC001205973356 1370926075 /nfs/dbraw/zinc/92/60/75/1370926075.db2.gz OQIWXAHMRVSJPA-RTBURBONSA-N 2 1 346.421 3.143 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(Cl)c1OC ZINC001206002806 1370934727 /nfs/dbraw/zinc/93/47/27/1370934727.db2.gz BISHFQINPULXBN-OLZOCXBDSA-N 2 1 326.868 3.164 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(Br)c(F)c2)CCC[C@@H]1C[NH3+] ZINC001206004396 1370935568 /nfs/dbraw/zinc/93/55/68/1370935568.db2.gz SAQFUASXUZSNSE-WCQYABFASA-N 2 1 329.257 3.395 20 0 EGADMP CCOC(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206023291 1370941503 /nfs/dbraw/zinc/94/15/03/1370941503.db2.gz FQHWXUYVOPGSGS-KGLIPLIRSA-N 2 1 338.879 3.324 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cc(Br)ncc2Cl)CCC[C@H]1C[NH3+] ZINC001206026297 1370942053 /nfs/dbraw/zinc/94/20/53/1370942053.db2.gz RJWFMOIXKJLUGY-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc(Br)ncc2Cl)CCC[C@H]1C[NH3+] ZINC001206026297 1370942057 /nfs/dbraw/zinc/94/20/57/1370942057.db2.gz RJWFMOIXKJLUGY-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)cc21 ZINC001206027942 1370942309 /nfs/dbraw/zinc/94/23/09/1370942309.db2.gz XJWFAFLYYVUJHY-APWZRJJASA-N 3 1 327.516 3.495 20 0 EGADMP [NH3+][C@H]1CC[N@H+](Cc2c[nH]c3cc(Br)ccc23)CC[C@@H]1F ZINC001206187312 1370986545 /nfs/dbraw/zinc/98/65/45/1370986545.db2.gz SQJMBQIXEKTQIW-KBPBESRZSA-N 2 1 340.240 3.192 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)CC[C@@H]1F ZINC001206187312 1370986551 /nfs/dbraw/zinc/98/65/51/1370986551.db2.gz SQJMBQIXEKTQIW-KBPBESRZSA-N 2 1 340.240 3.192 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(Br)cnc2Cl)CC1 ZINC001206304434 1371016072 /nfs/dbraw/zinc/01/60/72/1371016072.db2.gz KMSCRAGSBIIVSE-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(Br)cnc2Cl)CC1 ZINC001206304434 1371016074 /nfs/dbraw/zinc/01/60/74/1371016074.db2.gz KMSCRAGSBIIVSE-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(Br)ncc2Cl)CC1 ZINC001206317467 1371019980 /nfs/dbraw/zinc/01/99/80/1371019980.db2.gz GEPHDFDJPNAIFI-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(Br)ncc2Cl)CC1 ZINC001206317467 1371019982 /nfs/dbraw/zinc/01/99/82/1371019982.db2.gz GEPHDFDJPNAIFI-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cnc(Cl)cc2Br)CC1 ZINC001206317177 1371020106 /nfs/dbraw/zinc/02/01/06/1371020106.db2.gz CQFMOFRPKVKULA-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cnc(Cl)cc2Br)CC1 ZINC001206317177 1371020108 /nfs/dbraw/zinc/02/01/08/1371020108.db2.gz CQFMOFRPKVKULA-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2c(Cl)cncc2Br)CC1 ZINC001206324369 1371022259 /nfs/dbraw/zinc/02/22/59/1371022259.db2.gz AIVCMJRMOALBIP-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(Cl)cncc2Br)CC1 ZINC001206324369 1371022261 /nfs/dbraw/zinc/02/22/61/1371022261.db2.gz AIVCMJRMOALBIP-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2c(Br)ccnc2Cl)CC1 ZINC001206324463 1371022345 /nfs/dbraw/zinc/02/23/45/1371022345.db2.gz BYEAJFBQWQUMDI-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(Br)ccnc2Cl)CC1 ZINC001206324463 1371022349 /nfs/dbraw/zinc/02/23/49/1371022349.db2.gz BYEAJFBQWQUMDI-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(O)c(OC(F)(F)F)c2)CC1 ZINC001206327387 1371023425 /nfs/dbraw/zinc/02/34/25/1371023425.db2.gz WAMPKOZEIQXNIK-HNNXBMFYSA-N 2 1 332.366 3.242 20 0 EGADMP [NH3+]CCC1CC[NH+](Cc2cc(F)c(F)cc2Br)CC1 ZINC001206500940 1371074518 /nfs/dbraw/zinc/07/45/18/1371074518.db2.gz WJYHPPJXIPMHFQ-UHFFFAOYSA-N 2 1 333.220 3.288 20 0 EGADMP Cc1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc(C)c1-c1ccc(F)cc1F ZINC001206535520 1371085962 /nfs/dbraw/zinc/08/59/62/1371085962.db2.gz LOMWDYIGLDKSKH-KXBFYZLASA-N 2 1 346.421 3.000 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc1OC(F)F ZINC001206548127 1371090544 /nfs/dbraw/zinc/09/05/44/1371090544.db2.gz HDJZCTURWBFMCP-KRWDZBQOSA-N 2 1 328.403 3.248 20 0 EGADMP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206548945 1371090557 /nfs/dbraw/zinc/09/05/57/1371090557.db2.gz SJGZXBOOOXTILB-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(OC(F)(F)F)ccc2N)C1 ZINC001206554887 1371091877 /nfs/dbraw/zinc/09/18/77/1371091877.db2.gz IAIHWYGZOOAPAJ-HNNXBMFYSA-N 2 1 331.382 3.118 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206615546 1371109906 /nfs/dbraw/zinc/10/99/06/1371109906.db2.gz IJFUPFUJBANDQF-GFCCVEGCSA-N 2 1 332.366 3.155 20 0 EGADMP CN1CC[NH+](Cc2cccc(C[NH2+]C3CCC(F)(F)CC3)c2)CC1 ZINC001118172519 1371141294 /nfs/dbraw/zinc/14/12/94/1371141294.db2.gz OXHZWJRSZKZCSC-UHFFFAOYSA-N 2 1 337.458 3.102 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC001118221758 1371148897 /nfs/dbraw/zinc/14/88/97/1371148897.db2.gz KJSYZRAHCDMATF-OAHLLOKOSA-N 2 1 343.393 3.367 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1c[nH]c2c1cccc2Br ZINC001206771328 1371159548 /nfs/dbraw/zinc/15/95/48/1371159548.db2.gz VZDBCHJITYAMRM-RYUDHWBXSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]c2c1cccc2Br ZINC001206771328 1371159551 /nfs/dbraw/zinc/15/95/51/1371159551.db2.gz VZDBCHJITYAMRM-RYUDHWBXSA-N 2 1 336.277 3.490 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2C)CC1 ZINC001206794705 1371169430 /nfs/dbraw/zinc/16/94/30/1371169430.db2.gz PYXKSHODUFNIBP-GOSISDBHSA-N 2 1 345.531 3.226 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]CCC3=CCCCC3)CC2)C1 ZINC001206872867 1371199005 /nfs/dbraw/zinc/19/90/05/1371199005.db2.gz WMZJRBICGJMWRO-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+][C@@H](CC)c2ccccc2)CC1 ZINC001206890338 1371209360 /nfs/dbraw/zinc/20/93/60/1371209360.db2.gz MJHUUSCXNWWDIK-FQEVSTJZSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]CC2CCCCCC2)CC1 ZINC001206890220 1371209911 /nfs/dbraw/zinc/20/99/11/1371209911.db2.gz HBNZEBUKGSLWHU-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001206947661 1371239894 /nfs/dbraw/zinc/23/98/94/1371239894.db2.gz DQFFPLAXPLSAGX-CALCHBBNSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)s1 ZINC001207060647 1371282650 /nfs/dbraw/zinc/28/26/50/1371282650.db2.gz QUNOLSAMVWXXRH-UHFFFAOYSA-N 2 1 342.512 3.335 20 0 EGADMP C[N@@H+](Cc1ccccc1F)C1CCN(Cc2cc[nH]c(=O)c2)CC1 ZINC001207125717 1371301572 /nfs/dbraw/zinc/30/15/72/1371301572.db2.gz IBKQPLIMRGZWHJ-UHFFFAOYSA-N 2 1 329.419 3.023 20 0 EGADMP Cc1nccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001207169352 1371317635 /nfs/dbraw/zinc/31/76/35/1371317635.db2.gz IZBFMICKAJYUGF-VQTJNVASSA-N 2 1 336.483 3.129 20 0 EGADMP Cc1nccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001207169352 1371317638 /nfs/dbraw/zinc/31/76/38/1371317638.db2.gz IZBFMICKAJYUGF-VQTJNVASSA-N 2 1 336.483 3.129 20 0 EGADMP Cc1nccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001207169352 1371317640 /nfs/dbraw/zinc/31/76/40/1371317640.db2.gz IZBFMICKAJYUGF-VQTJNVASSA-N 2 1 336.483 3.129 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC[C@]1(C)O ZINC001207287643 1371351719 /nfs/dbraw/zinc/35/17/19/1371351719.db2.gz VJWKWYBOBKNBCV-NQIIRXRSSA-N 2 1 330.516 3.382 20 0 EGADMP COC(=O)[C@@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC001207292340 1371352684 /nfs/dbraw/zinc/35/26/84/1371352684.db2.gz OIPIWXIWFHXKEW-YLJYHZDGSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)CC[C@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207292565 1371352712 /nfs/dbraw/zinc/35/27/12/1371352712.db2.gz USTGZDQQWMGBEN-IBGZPJMESA-N 2 1 344.499 3.174 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2nccc3ccccc32)C1 ZINC001119510659 1371357798 /nfs/dbraw/zinc/35/77/98/1371357798.db2.gz WYJXXJDPLYELCT-FQEVSTJZSA-N 2 1 347.462 3.091 20 0 EGADMP C[NH+](C)C1CC[NH+](CCCc2ccc(Br)cc2)CC1 ZINC001207318569 1371359030 /nfs/dbraw/zinc/35/90/30/1371359030.db2.gz VQLFCEICTQHYIM-UHFFFAOYSA-N 2 1 325.294 3.408 20 0 EGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001207467680 1371403480 /nfs/dbraw/zinc/40/34/80/1371403480.db2.gz HHDFYZSZVKBYJG-VURPSTOHSA-N 2 1 343.515 3.041 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CCCOC3)C[C@H]21 ZINC001207467680 1371403486 /nfs/dbraw/zinc/40/34/86/1371403486.db2.gz HHDFYZSZVKBYJG-VURPSTOHSA-N 2 1 343.515 3.041 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CCCOC3)C[C@H]21 ZINC001207467680 1371403488 /nfs/dbraw/zinc/40/34/88/1371403488.db2.gz HHDFYZSZVKBYJG-VURPSTOHSA-N 2 1 343.515 3.041 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001207467680 1371403491 /nfs/dbraw/zinc/40/34/91/1371403491.db2.gz HHDFYZSZVKBYJG-VURPSTOHSA-N 2 1 343.515 3.041 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001207467680 1371403495 /nfs/dbraw/zinc/40/34/95/1371403495.db2.gz HHDFYZSZVKBYJG-VURPSTOHSA-N 2 1 343.515 3.041 20 0 EGADMP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207480009 1371408951 /nfs/dbraw/zinc/40/89/51/1371408951.db2.gz SRHWUPFBGOXPMV-QGZVFWFLSA-N 2 1 333.495 3.064 20 0 EGADMP C[N@@H+](CCC1CC[NH+](C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207481812 1371409401 /nfs/dbraw/zinc/40/94/01/1371409401.db2.gz PTSMXDYDXUCKNC-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP COc1ccccc1[C@H](O)C[N@@H+](CCC1CC[NH+](C)CC1)C(C)C ZINC001207486865 1371410901 /nfs/dbraw/zinc/41/09/01/1371410901.db2.gz OHAVTEDDRWZNCP-LJQANCHMSA-N 2 1 334.504 3.171 20 0 EGADMP Fc1ccccc1CC[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001207496202 1371414256 /nfs/dbraw/zinc/41/42/56/1371414256.db2.gz CUARHPFICIEIID-CALCHBBNSA-N 2 1 330.472 3.494 20 0 EGADMP Fc1ccccc1CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001207496202 1371414260 /nfs/dbraw/zinc/41/42/60/1371414260.db2.gz CUARHPFICIEIID-CALCHBBNSA-N 2 1 330.472 3.494 20 0 EGADMP Fc1ccccc1CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001207496202 1371414262 /nfs/dbraw/zinc/41/42/62/1371414262.db2.gz CUARHPFICIEIID-CALCHBBNSA-N 2 1 330.472 3.494 20 0 EGADMP Fc1ccccc1CC[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001207496202 1371414265 /nfs/dbraw/zinc/41/42/65/1371414265.db2.gz CUARHPFICIEIID-CALCHBBNSA-N 2 1 330.472 3.494 20 0 EGADMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCc3ccccc3F)C2)C1 ZINC001207499059 1371416254 /nfs/dbraw/zinc/41/62/54/1371416254.db2.gz QRFNNEBODMFUQC-TZIWHRDSSA-N 2 1 346.490 3.049 20 0 EGADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCc3ccccc3F)C2)C1 ZINC001207499059 1371416260 /nfs/dbraw/zinc/41/62/60/1371416260.db2.gz QRFNNEBODMFUQC-TZIWHRDSSA-N 2 1 346.490 3.049 20 0 EGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](CCc3ccccc3F)C2)C1 ZINC001207499059 1371416263 /nfs/dbraw/zinc/41/62/63/1371416263.db2.gz QRFNNEBODMFUQC-TZIWHRDSSA-N 2 1 346.490 3.049 20 0 EGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](CCc3ccccc3F)C2)C1 ZINC001207499059 1371416269 /nfs/dbraw/zinc/41/62/69/1371416269.db2.gz QRFNNEBODMFUQC-TZIWHRDSSA-N 2 1 346.490 3.049 20 0 EGADMP C[C@@H](CC[NH2+]Cc1cn(C)nc1C1CC1)[N@H+](C)Cc1ccccc1 ZINC001119953267 1371431424 /nfs/dbraw/zinc/43/14/24/1371431424.db2.gz DFUJNEVFOOPXMN-INIZCTEOSA-N 2 1 326.488 3.298 20 0 EGADMP C[C@@H](CC[NH2+]Cc1cn(C)nc1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001119953267 1371431428 /nfs/dbraw/zinc/43/14/28/1371431428.db2.gz DFUJNEVFOOPXMN-INIZCTEOSA-N 2 1 326.488 3.298 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001119987981 1371442934 /nfs/dbraw/zinc/44/29/34/1371442934.db2.gz DAQOXZIQMITBGT-SCTDSRPQSA-N 2 1 339.483 3.406 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001119987975 1371443088 /nfs/dbraw/zinc/44/30/88/1371443088.db2.gz DAQOXZIQMITBGT-JENIJYKNSA-N 2 1 339.483 3.406 20 0 EGADMP CC(C)n1nc(CN(C)C)c2c1C[N@@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001207620976 1371453956 /nfs/dbraw/zinc/45/39/56/1371453956.db2.gz YIAFOSKMWDTYLM-BBWFWOEESA-N 2 1 328.504 3.096 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001120046396 1371468368 /nfs/dbraw/zinc/46/83/68/1371468368.db2.gz XJQACXRXOWRZEF-UHFFFAOYSA-N 2 1 335.536 3.237 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]CCCC(C)(C)C)CCCCC2)C1 ZINC001120129837 1371492333 /nfs/dbraw/zinc/49/23/33/1371492333.db2.gz OSELZCXWCIXIGZ-KRWDZBQOSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc4nonc4c3)CC2)C1 ZINC001207745312 1371492741 /nfs/dbraw/zinc/49/27/41/1371492741.db2.gz MRLPJNDBXANONC-RHSMWYFYSA-N 2 1 328.460 3.356 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001120391847 1371559276 /nfs/dbraw/zinc/55/92/76/1371559276.db2.gz HWXMVRBSWZHZHW-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120468126 1371587286 /nfs/dbraw/zinc/58/72/86/1371587286.db2.gz BYXSRJSZDOSPCH-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120468126 1371587289 /nfs/dbraw/zinc/58/72/89/1371587289.db2.gz BYXSRJSZDOSPCH-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120468126 1371587292 /nfs/dbraw/zinc/58/72/92/1371587292.db2.gz BYXSRJSZDOSPCH-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001208074619 1371588366 /nfs/dbraw/zinc/58/83/66/1371588366.db2.gz ZSLFPJBMBIQABG-SJORKVTESA-N 2 1 334.508 3.167 20 0 EGADMP c1cnn(CCC[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001208084472 1371590798 /nfs/dbraw/zinc/59/07/98/1371590798.db2.gz SDTQLCZKOWVIJQ-DOIPELPJSA-N 2 1 340.515 3.168 20 0 EGADMP c1cnn(CCC[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001208084472 1371590802 /nfs/dbraw/zinc/59/08/02/1371590802.db2.gz SDTQLCZKOWVIJQ-DOIPELPJSA-N 2 1 340.515 3.168 20 0 EGADMP c1cnn(CCC[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001208084472 1371590805 /nfs/dbraw/zinc/59/08/05/1371590805.db2.gz SDTQLCZKOWVIJQ-DOIPELPJSA-N 2 1 340.515 3.168 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)[C@@H](c2ccccc2)C1 ZINC001208110731 1371597527 /nfs/dbraw/zinc/59/75/27/1371597527.db2.gz FSDWURNUMHRACE-RTBURBONSA-N 2 1 344.499 3.345 20 0 EGADMP CS[C@H](C)CC[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001208142478 1371609235 /nfs/dbraw/zinc/60/92/35/1371609235.db2.gz OKJRPIHUEOXXHA-MRXNPFEDSA-N 2 1 338.517 3.088 20 0 EGADMP CS[C@H](C)CC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001208142478 1371609237 /nfs/dbraw/zinc/60/92/37/1371609237.db2.gz OKJRPIHUEOXXHA-MRXNPFEDSA-N 2 1 338.517 3.088 20 0 EGADMP C[NH+](C)CC1(CN2CC[NH+](C/C=C/c3ccccc3)CC2)CCCC1 ZINC001208184520 1371624150 /nfs/dbraw/zinc/62/41/50/1371624150.db2.gz MBTXSXZOTHTOFJ-DHZHZOJOSA-N 2 1 341.543 3.439 20 0 EGADMP C[NH+](C)CC1(C[N@@H+](Cc2cccnc2)C2CCOCC2)CCCC1 ZINC001208192766 1371630242 /nfs/dbraw/zinc/63/02/42/1371630242.db2.gz YICFUDCHWRMHTH-UHFFFAOYSA-N 2 1 331.504 3.185 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001208330647 1371719115 /nfs/dbraw/zinc/71/91/15/1371719115.db2.gz BNSVPZPKMUFSKQ-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001208575781 1371824266 /nfs/dbraw/zinc/82/42/66/1371824266.db2.gz VEPQUXBKFZQZOV-FEWTUCSOSA-N 2 1 337.552 3.290 20 0 EGADMP CCOC(=O)[C@H]1C[N@@H+](CC2CC[NH+](CC)CC2)C[C@H]2CCCC[C@@H]12 ZINC001208593450 1371833030 /nfs/dbraw/zinc/83/30/30/1371833030.db2.gz SMHHDFWEVHCBGO-QRVBRYPASA-N 2 1 336.520 3.020 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](C[C@H](O)c2ccccc2OC)C(C)C)CC1 ZINC001208601246 1371835910 /nfs/dbraw/zinc/83/59/10/1371835910.db2.gz LLDJXCADQUMXJV-IBGZPJMESA-N 2 1 334.504 3.171 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(c3noc4ccc(F)cc43)CC2)C1 ZINC001208613223 1371839535 /nfs/dbraw/zinc/83/95/35/1371839535.db2.gz RWDMQXXYOVEDPU-CQSZACIVSA-N 2 1 331.435 3.488 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001208610013 1371840422 /nfs/dbraw/zinc/84/04/22/1371840422.db2.gz XYYBDTWCEQRMEE-OAQYLSRUSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001208610013 1371840427 /nfs/dbraw/zinc/84/04/27/1371840427.db2.gz XYYBDTWCEQRMEE-OAQYLSRUSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001208610013 1371840430 /nfs/dbraw/zinc/84/04/30/1371840430.db2.gz XYYBDTWCEQRMEE-OAQYLSRUSA-N 3 1 341.543 3.316 20 0 EGADMP CN1CCC[C@@H](C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001208610013 1371840434 /nfs/dbraw/zinc/84/04/34/1371840434.db2.gz XYYBDTWCEQRMEE-OAQYLSRUSA-N 2 1 341.543 3.316 20 0 EGADMP CN1CCC[C@@H](C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001208610013 1371840438 /nfs/dbraw/zinc/84/04/38/1371840438.db2.gz XYYBDTWCEQRMEE-OAQYLSRUSA-N 2 1 341.543 3.316 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@H](C[N@H+](CC)C[C@H]2CCC[NH+](C)C2)CC1 ZINC001208615944 1371842649 /nfs/dbraw/zinc/84/26/49/1371842649.db2.gz JBHHJGLZBHZHCB-FHWLQOOXSA-N 2 1 338.536 3.410 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)C[C@H]2CCC[NH+](C)C2)CC1 ZINC001208615944 1371842652 /nfs/dbraw/zinc/84/26/52/1371842652.db2.gz JBHHJGLZBHZHCB-FHWLQOOXSA-N 2 1 338.536 3.410 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@H](C[NH+](CC)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208615944 1371842655 /nfs/dbraw/zinc/84/26/55/1371842655.db2.gz JBHHJGLZBHZHCB-FHWLQOOXSA-N 2 1 338.536 3.410 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@H](C[NH+](CC)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208615944 1371842659 /nfs/dbraw/zinc/84/26/59/1371842659.db2.gz JBHHJGLZBHZHCB-FHWLQOOXSA-N 2 1 338.536 3.410 20 0 EGADMP C[N@H+]1CCC[C@H](CN2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616297 1371842934 /nfs/dbraw/zinc/84/29/34/1371842934.db2.gz ZYCHRPKGGDGWBI-FKBYEOEOSA-N 2 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC[C@H](CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616297 1371842937 /nfs/dbraw/zinc/84/29/37/1371842937.db2.gz ZYCHRPKGGDGWBI-FKBYEOEOSA-N 2 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC[C@H](CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616297 1371842941 /nfs/dbraw/zinc/84/29/41/1371842941.db2.gz ZYCHRPKGGDGWBI-FKBYEOEOSA-N 2 1 341.543 3.172 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616297 1371842946 /nfs/dbraw/zinc/84/29/46/1371842946.db2.gz ZYCHRPKGGDGWBI-FKBYEOEOSA-N 3 1 341.543 3.172 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616297 1371842951 /nfs/dbraw/zinc/84/29/51/1371842951.db2.gz ZYCHRPKGGDGWBI-FKBYEOEOSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616297 1371842955 /nfs/dbraw/zinc/84/29/55/1371842955.db2.gz ZYCHRPKGGDGWBI-FKBYEOEOSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616297 1371842958 /nfs/dbraw/zinc/84/29/58/1371842958.db2.gz ZYCHRPKGGDGWBI-FKBYEOEOSA-N 3 1 341.543 3.172 20 0 EGADMP CN1CCC[C@H](C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616297 1371842962 /nfs/dbraw/zinc/84/29/62/1371842962.db2.gz ZYCHRPKGGDGWBI-FKBYEOEOSA-N 2 1 341.543 3.172 20 0 EGADMP CN1CCC[C@H](C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616297 1371842966 /nfs/dbraw/zinc/84/29/66/1371842966.db2.gz ZYCHRPKGGDGWBI-FKBYEOEOSA-N 2 1 341.543 3.172 20 0 EGADMP CN1CCC[C@H](C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616297 1371842970 /nfs/dbraw/zinc/84/29/70/1371842970.db2.gz ZYCHRPKGGDGWBI-FKBYEOEOSA-N 2 1 341.543 3.172 20 0 EGADMP CN1CCC[C@H](C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208616297 1371842972 /nfs/dbraw/zinc/84/29/72/1371842972.db2.gz ZYCHRPKGGDGWBI-FKBYEOEOSA-N 2 1 341.543 3.172 20 0 EGADMP C[N@H+]1CCC[C@@H](CN2CC[C@@]3(CCC[NH+]3Cc3ccccc3)C2)C1 ZINC001208617458 1371844026 /nfs/dbraw/zinc/84/40/26/1371844026.db2.gz PGGBWIMSRVKSEQ-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@@H](CN2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001208617458 1371844032 /nfs/dbraw/zinc/84/40/32/1371844032.db2.gz PGGBWIMSRVKSEQ-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@@H](CN2CC[C@@]3(CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001208617458 1371844034 /nfs/dbraw/zinc/84/40/34/1371844034.db2.gz PGGBWIMSRVKSEQ-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP C[N@H+]1CCC[C@@H](CN2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619085 1371844987 /nfs/dbraw/zinc/84/49/87/1371844987.db2.gz VDIBZKDGPQZATG-YADHBBJMSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC[C@@H](CN2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208619085 1371844992 /nfs/dbraw/zinc/84/49/92/1371844992.db2.gz VDIBZKDGPQZATG-YADHBBJMSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC[C@@H](CN2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208619085 1371844996 /nfs/dbraw/zinc/84/49/96/1371844996.db2.gz VDIBZKDGPQZATG-YADHBBJMSA-N 2 1 341.543 3.316 20 0 EGADMP COC(=O)[C@H]1CC[C@H](C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001208630442 1371846955 /nfs/dbraw/zinc/84/69/55/1371846955.db2.gz ZRGWQLGXRBYVJI-VJANTYMQSA-N 2 1 336.520 3.305 20 0 EGADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001208630442 1371846957 /nfs/dbraw/zinc/84/69/57/1371846957.db2.gz ZRGWQLGXRBYVJI-VJANTYMQSA-N 2 1 336.520 3.305 20 0 EGADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001208630442 1371846963 /nfs/dbraw/zinc/84/69/63/1371846963.db2.gz ZRGWQLGXRBYVJI-VJANTYMQSA-N 2 1 336.520 3.305 20 0 EGADMP C(C[NH+]1CCCC1)[C@H]1CCCC[N@H+]1C[C@H]1COC2(CCCCC2)O1 ZINC001208638747 1371849844 /nfs/dbraw/zinc/84/98/44/1371849844.db2.gz HEALQLLUCLISTC-MOPGFXCFSA-N 2 1 336.520 3.403 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208646466 1371850569 /nfs/dbraw/zinc/85/05/69/1371850569.db2.gz LVKBDDBICUGXAQ-KZNAEPCWSA-N 2 1 339.568 3.083 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001208646466 1371850571 /nfs/dbraw/zinc/85/05/71/1371850571.db2.gz LVKBDDBICUGXAQ-KZNAEPCWSA-N 2 1 339.568 3.083 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001208646466 1371850577 /nfs/dbraw/zinc/85/05/77/1371850577.db2.gz LVKBDDBICUGXAQ-KZNAEPCWSA-N 2 1 339.568 3.083 20 0 EGADMP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121103095 1371854918 /nfs/dbraw/zinc/85/49/18/1371854918.db2.gz RPBZMMCZHNRGRI-HXLZZXBHSA-N 2 1 347.547 3.233 20 0 EGADMP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121102298 1371855006 /nfs/dbraw/zinc/85/50/06/1371855006.db2.gz DJJVAPJKQCVKCF-MBEFBZSESA-N 2 1 349.563 3.457 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121103360 1371855219 /nfs/dbraw/zinc/85/52/19/1371855219.db2.gz WHLFYUDYVNDUGS-WZXTXQKWSA-N 2 1 335.536 3.066 20 0 EGADMP CC/C=C\CC[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001208728280 1371876985 /nfs/dbraw/zinc/87/69/85/1371876985.db2.gz PPWFPZRVXHFFOI-ARJAWSKDSA-N 2 1 343.515 3.352 20 0 EGADMP CC[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208759187 1371885630 /nfs/dbraw/zinc/88/56/30/1371885630.db2.gz RONAJHQWPRYCCU-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+](CCCc1ccccc1Br)C1CC[NH+](C)CC1 ZINC001208845048 1371915080 /nfs/dbraw/zinc/91/50/80/1371915080.db2.gz AJEAGMRRHBEXSI-UHFFFAOYSA-N 2 1 325.294 3.408 20 0 EGADMP C[N@@H+](CCCc1ccccc1Br)C1CC[NH+](C)CC1 ZINC001208845048 1371915086 /nfs/dbraw/zinc/91/50/86/1371915086.db2.gz AJEAGMRRHBEXSI-UHFFFAOYSA-N 2 1 325.294 3.408 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001326370828 1388169142 /nfs/dbraw/zinc/16/91/42/1388169142.db2.gz JERQALZZEXDEOM-QRQLOZEOSA-N 2 1 335.536 3.007 20 0 EGADMP F[C@H]1CSC2(C[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208939757 1371954250 /nfs/dbraw/zinc/95/42/50/1371954250.db2.gz IFPOMPPYFKMQHO-QZTJIDSGSA-N 2 1 334.504 3.428 20 0 EGADMP F[C@H]1CSC2(C[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208939757 1371954256 /nfs/dbraw/zinc/95/42/56/1371954256.db2.gz IFPOMPPYFKMQHO-QZTJIDSGSA-N 2 1 334.504 3.428 20 0 EGADMP COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939797 1371954330 /nfs/dbraw/zinc/95/43/30/1371954330.db2.gz JFEOHIWDQJHCGA-MISYRCLQSA-N 2 1 344.499 3.030 20 0 EGADMP COC(=O)[C@@H]1C[C@@H](C)C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208939797 1371954334 /nfs/dbraw/zinc/95/43/34/1371954334.db2.gz JFEOHIWDQJHCGA-MISYRCLQSA-N 2 1 344.499 3.030 20 0 EGADMP COC(=O)[C@@H]1C[C@@H](C)C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939797 1371954339 /nfs/dbraw/zinc/95/43/39/1371954339.db2.gz JFEOHIWDQJHCGA-MISYRCLQSA-N 2 1 344.499 3.030 20 0 EGADMP FC1CC[NH+](C2CN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208938585 1371954895 /nfs/dbraw/zinc/95/48/95/1371954895.db2.gz CBBRTZICGJBLPW-IBGZPJMESA-N 2 1 345.506 3.017 20 0 EGADMP CCOC(=O)C1(C)CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208950859 1371960899 /nfs/dbraw/zinc/96/08/99/1371960899.db2.gz WZEQWHWFDPVOLD-IBGZPJMESA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC001208948676 1371961408 /nfs/dbraw/zinc/96/14/08/1371961408.db2.gz HQZXTTINDHMQBQ-LJQANCHMSA-N 2 1 344.499 3.316 20 0 EGADMP COC(=O)CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001208948676 1371961410 /nfs/dbraw/zinc/96/14/10/1371961410.db2.gz HQZXTTINDHMQBQ-LJQANCHMSA-N 2 1 344.499 3.316 20 0 EGADMP COC(=O)CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001208948676 1371961413 /nfs/dbraw/zinc/96/14/13/1371961413.db2.gz HQZXTTINDHMQBQ-LJQANCHMSA-N 2 1 344.499 3.316 20 0 EGADMP CCCCOC(=O)[C@H]1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208962969 1371964234 /nfs/dbraw/zinc/96/42/34/1371964234.db2.gz NBMLNSJYBBZATL-PMACEKPBSA-N 2 1 344.499 3.174 20 0 EGADMP CCCCOC(=O)[C@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208962969 1371964239 /nfs/dbraw/zinc/96/42/39/1371964239.db2.gz NBMLNSJYBBZATL-PMACEKPBSA-N 2 1 344.499 3.174 20 0 EGADMP CCCCOC(=O)[C@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208962969 1371964250 /nfs/dbraw/zinc/96/42/50/1371964250.db2.gz NBMLNSJYBBZATL-PMACEKPBSA-N 2 1 344.499 3.174 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209133576 1372009596 /nfs/dbraw/zinc/00/95/96/1372009596.db2.gz HNJOBJZUEXWIOA-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001121767998 1372074348 /nfs/dbraw/zinc/07/43/48/1372074348.db2.gz URFLVUDVRJXORF-FUSSNKQKSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001121773354 1372077091 /nfs/dbraw/zinc/07/70/91/1372077091.db2.gz PYONBLQULTWVPI-HRTVXQQGSA-N 2 1 349.563 3.027 20 0 EGADMP CC(C)(C)OC(=O)NCCCCCC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001209361098 1372078126 /nfs/dbraw/zinc/07/81/26/1372078126.db2.gz VBSBVAAOXHAPTI-UHFFFAOYSA-N 2 1 339.524 3.242 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CCN(CCC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC001209452150 1372109814 /nfs/dbraw/zinc/10/98/14/1372109814.db2.gz FNGXEFNPDIHXQV-YADHBBJMSA-N 2 1 341.543 3.316 20 0 EGADMP C[N@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001209453759 1372110660 /nfs/dbraw/zinc/11/06/60/1372110660.db2.gz MAUMFOTVMLOUNJ-KRWDZBQOSA-N 2 1 339.524 3.194 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001209453759 1372110662 /nfs/dbraw/zinc/11/06/62/1372110662.db2.gz MAUMFOTVMLOUNJ-KRWDZBQOSA-N 2 1 339.524 3.194 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001122186286 1372196203 /nfs/dbraw/zinc/19/62/03/1372196203.db2.gz MNVKEVZOYSPRSZ-UHFFFAOYSA-N 2 1 346.519 3.035 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CCCC1CCCC1)C2 ZINC001122249269 1372211923 /nfs/dbraw/zinc/21/19/23/1372211923.db2.gz RKCUERSWJCRTIG-UHFFFAOYSA-N 2 1 349.563 3.314 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209892286 1372224104 /nfs/dbraw/zinc/22/41/04/1372224104.db2.gz PEUCWMSDXMBJTJ-QGZVFWFLSA-N 2 1 334.508 3.023 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209952349 1372240536 /nfs/dbraw/zinc/24/05/36/1372240536.db2.gz PRJNBVMBGNICHZ-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)c2cccc(C)c2)C[C@H]1C ZINC001210497260 1372366641 /nfs/dbraw/zinc/36/66/41/1372366641.db2.gz CAGZSRGPIJPKIO-WSTZPKSXSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C)c2)C[C@H]1C ZINC001210497260 1372366643 /nfs/dbraw/zinc/36/66/43/1372366643.db2.gz CAGZSRGPIJPKIO-WSTZPKSXSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cccc(C)c2)C[C@H]1C ZINC001210497260 1372366647 /nfs/dbraw/zinc/36/66/47/1372366647.db2.gz CAGZSRGPIJPKIO-WSTZPKSXSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001210497622 1372367498 /nfs/dbraw/zinc/36/74/98/1372367498.db2.gz FCCGFHZBWVBQOR-IEBWSBKVSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C ZINC001210497622 1372367503 /nfs/dbraw/zinc/36/75/03/1372367503.db2.gz FCCGFHZBWVBQOR-IEBWSBKVSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C ZINC001210497622 1372367506 /nfs/dbraw/zinc/36/75/06/1372367506.db2.gz FCCGFHZBWVBQOR-IEBWSBKVSA-N 2 1 335.536 3.045 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[NH2+][C@H](C)CC3)cc2)cc1 ZINC001210518206 1372371089 /nfs/dbraw/zinc/37/10/89/1372371089.db2.gz CUFJKDGJBUBPKW-MRXNPFEDSA-N 2 1 338.451 3.324 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[NH2+][C@H](C)CC3)cc2)cc1 ZINC001210518206 1372371093 /nfs/dbraw/zinc/37/10/93/1372371093.db2.gz CUFJKDGJBUBPKW-MRXNPFEDSA-N 2 1 338.451 3.324 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](CC)c2ccc(F)cc2)C[C@H]1C ZINC001210529118 1372372724 /nfs/dbraw/zinc/37/27/24/1372372724.db2.gz QOMTZANNYINUIZ-ATZDWAIDSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](CC)c2ccc(F)cc2)C[C@H]1C ZINC001210529118 1372372729 /nfs/dbraw/zinc/37/27/29/1372372729.db2.gz QOMTZANNYINUIZ-ATZDWAIDSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](CC)c2ccc(F)cc2)C[C@H]1C ZINC001210529118 1372372731 /nfs/dbraw/zinc/37/27/31/1372372731.db2.gz QOMTZANNYINUIZ-ATZDWAIDSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2CC)C1 ZINC001210773745 1372424245 /nfs/dbraw/zinc/42/42/45/1372424245.db2.gz NZFBDKKMSLKTRQ-FQEVSTJZSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001210796453 1372428215 /nfs/dbraw/zinc/42/82/15/1372428215.db2.gz HHASLRVXEQYAPW-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001187971641 1388201228 /nfs/dbraw/zinc/20/12/28/1388201228.db2.gz VDFASCYGUMDXHD-FGTMMUONSA-N 2 1 346.519 3.120 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001187971641 1388201231 /nfs/dbraw/zinc/20/12/31/1388201231.db2.gz VDFASCYGUMDXHD-FGTMMUONSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211269984 1372517385 /nfs/dbraw/zinc/51/73/85/1372517385.db2.gz WWTDVRGWZUZUEG-PMACEKPBSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343644 1372536215 /nfs/dbraw/zinc/53/62/15/1372536215.db2.gz DORCDASZSZMZLW-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374595 1372543306 /nfs/dbraw/zinc/54/33/06/1372543306.db2.gz JVFDVZFGTXCJKE-OSECFARBSA-N 2 1 343.515 3.082 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374595 1372543309 /nfs/dbraw/zinc/54/33/09/1372543309.db2.gz JVFDVZFGTXCJKE-OSECFARBSA-N 2 1 343.515 3.082 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(F)c(F)cc2F)no1 ZINC001212145213 1372664040 /nfs/dbraw/zinc/66/40/40/1372664040.db2.gz OFTKFLJJXGVTII-AWEZNQCLSA-N 2 1 342.365 3.322 20 0 EGADMP CCOc1c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(C)nn1CC(C)C ZINC001326519490 1388227588 /nfs/dbraw/zinc/22/75/88/1388227588.db2.gz PTBYHDDCOFRSAU-UHFFFAOYSA-N 2 1 348.535 3.212 20 0 EGADMP Cc1[nH]c2ccc(Nc3ccc(OC4CC[NH+](C)CC4)cn3)cc2[nH+]1 ZINC001213073395 1372833637 /nfs/dbraw/zinc/83/36/37/1372833637.db2.gz OLFLAJJDVVQUMK-UHFFFAOYSA-N 2 1 337.427 3.483 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001127065895 1373079168 /nfs/dbraw/zinc/07/91/68/1373079168.db2.gz GUULPZYZWTYCIY-XLIONFOSSA-N 2 1 345.531 3.450 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214611311 1373089500 /nfs/dbraw/zinc/08/95/00/1373089500.db2.gz ZGHNWMOOIOKVJP-WUYYXPQKSA-N 2 1 335.536 3.042 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001214611305 1373089554 /nfs/dbraw/zinc/08/95/54/1373089554.db2.gz ZARGAGYZBFIUSO-KZNAEPCWSA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCC3CCCC3)C2)CC[N@H+]1C ZINC001214666281 1373099022 /nfs/dbraw/zinc/09/90/22/1373099022.db2.gz ZNKHFFLWXRATAR-GSEOLPGOSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CCC(C)(C)C ZINC001214855491 1373130149 /nfs/dbraw/zinc/13/01/49/1373130149.db2.gz DDJRSZLFSWHORU-BHIYHBOVSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CCC(C)(C)C ZINC001214855492 1373130453 /nfs/dbraw/zinc/13/04/53/1373130453.db2.gz DDJRSZLFSWHORU-QRQLOZEOSA-N 2 1 349.563 3.266 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214856026 1373130981 /nfs/dbraw/zinc/13/09/81/1373130981.db2.gz VEZYIIDKJXZNNP-IOIJZZRGSA-N 2 1 335.536 3.042 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C)c1ccc(F)cc1 ZINC001216226322 1373285698 /nfs/dbraw/zinc/28/56/98/1373285698.db2.gz SDXNPVQTMWBBJM-AYOQOUSVSA-N 2 1 349.494 3.055 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)C)C1 ZINC001216323543 1373300109 /nfs/dbraw/zinc/30/01/09/1373300109.db2.gz GLEFUABPZIBEDX-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)c1 ZINC001216852183 1373351668 /nfs/dbraw/zinc/35/16/68/1373351668.db2.gz RGYVCWCELOZLEB-WSTZPKSXSA-N 2 1 345.531 3.141 20 0 EGADMP CCCCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216993785 1373377243 /nfs/dbraw/zinc/37/72/43/1373377243.db2.gz TXSXKICJSSXSRK-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCCCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216993785 1373377248 /nfs/dbraw/zinc/37/72/48/1373377248.db2.gz TXSXKICJSSXSRK-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@@](C)(CO[C@@H]2CCC[NH2+]CC2)O1 ZINC001217778429 1373499977 /nfs/dbraw/zinc/49/99/77/1373499977.db2.gz OOOGHNSERRNSIG-CTNGQTDRSA-N 2 1 346.515 3.215 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COCC2(C)CC[NH2+]CC2)O1 ZINC001217907495 1373511305 /nfs/dbraw/zinc/51/13/05/1373511305.db2.gz GOUBVLMFYLCCOD-LJQANCHMSA-N 2 1 346.515 3.072 20 0 EGADMP CC1(CO[C@H]2CC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)C[NH2+]C1 ZINC001217908712 1373511316 /nfs/dbraw/zinc/51/13/16/1373511316.db2.gz KSVWKSSZMYDXIZ-ZDUSSCGKSA-N 2 1 329.271 3.194 20 0 EGADMP CC1(CO[C@H]2CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)C[NH2+]C1 ZINC001217908712 1373511319 /nfs/dbraw/zinc/51/13/19/1373511319.db2.gz KSVWKSSZMYDXIZ-ZDUSSCGKSA-N 2 1 329.271 3.194 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001130425195 1373532688 /nfs/dbraw/zinc/53/26/88/1373532688.db2.gz MXXYWWQPYKBEOM-UHFFFAOYSA-N 2 1 345.531 3.280 20 0 EGADMP CC[C@@H](c1cccc(O[C@H]2CC[NH2+]CC(=O)C2)c1)[C@@H](C)C[NH+](C)C ZINC001218191775 1373575546 /nfs/dbraw/zinc/57/55/46/1373575546.db2.gz MAVDTTZKGAIOLA-RYGJVYDSSA-N 2 1 332.488 3.078 20 0 EGADMP Fc1ccccc1C[N@H+]1CCC[C@@H](Oc2ccc3c(c2)C[NH2+]C3)C1 ZINC001218390645 1373604851 /nfs/dbraw/zinc/60/48/51/1373604851.db2.gz LVSFAQMYFULAIN-LJQANCHMSA-N 2 1 326.415 3.472 20 0 EGADMP c1ccc(C[N@@H+]2CCc3nc(O[C@@H]4C[NH2+]CCC45CC5)ccc3C2)cc1 ZINC001218398541 1373606634 /nfs/dbraw/zinc/60/66/34/1373606634.db2.gz GJKBOAQYHFFPMS-HXUWFJFHSA-N 2 1 349.478 3.161 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(O[C@@H]4C[NH2+]CCC45CC5)ccc3C2)cc1 ZINC001218398541 1373606640 /nfs/dbraw/zinc/60/66/40/1373606640.db2.gz GJKBOAQYHFFPMS-HXUWFJFHSA-N 2 1 349.478 3.161 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848211 1373797489 /nfs/dbraw/zinc/79/74/89/1373797489.db2.gz DWEFTAYNPVNCAV-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221848211 1373797492 /nfs/dbraw/zinc/79/74/92/1373797492.db2.gz DWEFTAYNPVNCAV-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221848211 1373797497 /nfs/dbraw/zinc/79/74/97/1373797497.db2.gz DWEFTAYNPVNCAV-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848289 1373797903 /nfs/dbraw/zinc/79/79/03/1373797903.db2.gz IMDSOTGWUCDQHE-KNPSKYOESA-N 2 1 347.547 3.140 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(-c2ccccc2)cn1 ZINC001222153900 1373817386 /nfs/dbraw/zinc/81/73/86/1373817386.db2.gz CGRQOFYYZOKWEW-OAQYLSRUSA-N 2 1 337.467 3.333 20 0 EGADMP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(-c2ccccc2)cn1 ZINC001222153900 1373817391 /nfs/dbraw/zinc/81/73/91/1373817391.db2.gz CGRQOFYYZOKWEW-OAQYLSRUSA-N 2 1 337.467 3.333 20 0 EGADMP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CC(=O)NC3(CC[NH2+]CC3)C2)CC1 ZINC001222514688 1373851055 /nfs/dbraw/zinc/85/10/55/1373851055.db2.gz BXDUXZLEGDEDOF-LJQANCHMSA-N 2 1 345.531 3.013 20 0 EGADMP CC[N@@H+](CCCNC(=O)c1ccc2c(c1)C[NH2+]CC2)C1CCCCC1 ZINC001326908460 1388345657 /nfs/dbraw/zinc/34/56/57/1388345657.db2.gz XFRYUFWMBZSIFD-UHFFFAOYSA-N 2 1 343.515 3.107 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[N@@H+](CC3=CCCCC3)[C@H]2C1 ZINC001223954877 1375049058 /nfs/dbraw/zinc/04/90/58/1375049058.db2.gz FEZIGOCQTUOWNK-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1CC[NH+](CC2CCCCCC2)CC1 ZINC001225087855 1375092414 /nfs/dbraw/zinc/09/24/14/1375092414.db2.gz NTZIYLQQQBRRER-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ccc(C[NH+](C)C)cc2)C1 ZINC001225333407 1375105803 /nfs/dbraw/zinc/10/58/03/1375105803.db2.gz PKXZTXMRVJUNLR-VQIMIIECSA-N 2 1 325.456 3.358 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132129821 1375160452 /nfs/dbraw/zinc/16/04/52/1375160452.db2.gz YYFFLZSMRBQGFR-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@H+]1CCCCCF ZINC001132173074 1375187446 /nfs/dbraw/zinc/18/74/46/1375187446.db2.gz HADOQNXYROONCF-RDJZCZTQSA-N 2 1 346.450 3.057 20 0 EGADMP Cc1cccc(C)c1C[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132266679 1375255142 /nfs/dbraw/zinc/25/51/42/1375255142.db2.gz YODQZOGITAZYRV-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC/C=C/c1ccccc1 ZINC001132277368 1375261687 /nfs/dbraw/zinc/26/16/87/1375261687.db2.gz GEAYPWXZTBUWSG-CNLJBLCWSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132315418 1375292635 /nfs/dbraw/zinc/29/26/35/1375292635.db2.gz SWDPJYFURFFWSK-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132315418 1375292641 /nfs/dbraw/zinc/29/26/41/1375292641.db2.gz SWDPJYFURFFWSK-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132315418 1375292645 /nfs/dbraw/zinc/29/26/45/1375292645.db2.gz SWDPJYFURFFWSK-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP c1ccc(C[N@@H+]2CCc3nc(O[C@@H]4C[NH+]5CCC4CC5)ccc3C2)cc1 ZINC001226742511 1375322694 /nfs/dbraw/zinc/32/26/94/1375322694.db2.gz HYCBBJKNRICBDJ-OAQYLSRUSA-N 2 1 349.478 3.113 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(O[C@@H]4C[NH+]5CCC4CC5)ccc3C2)cc1 ZINC001226742511 1375322703 /nfs/dbraw/zinc/32/27/03/1375322703.db2.gz HYCBBJKNRICBDJ-OAQYLSRUSA-N 2 1 349.478 3.113 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001226775115 1375331481 /nfs/dbraw/zinc/33/14/81/1375331481.db2.gz RIRDBVOCUMTUHK-KZNAEPCWSA-N 2 1 346.519 3.214 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001132376128 1375338672 /nfs/dbraw/zinc/33/86/72/1375338672.db2.gz JRRKHKIQOFJNHL-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001226889994 1375353061 /nfs/dbraw/zinc/35/30/61/1375353061.db2.gz FARVVHAXZIUKGD-FNMLWVPJSA-N 2 1 335.536 3.234 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132410055 1375357953 /nfs/dbraw/zinc/35/79/53/1375357953.db2.gz JHTUQWWNVUJALR-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001132410055 1375357962 /nfs/dbraw/zinc/35/79/62/1375357962.db2.gz JHTUQWWNVUJALR-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001132410055 1375357969 /nfs/dbraw/zinc/35/79/69/1375357969.db2.gz JHTUQWWNVUJALR-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132409852 1375358951 /nfs/dbraw/zinc/35/89/51/1375358951.db2.gz FVQKVDJSXUJCKE-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001132409852 1375358955 /nfs/dbraw/zinc/35/89/55/1375358955.db2.gz FVQKVDJSXUJCKE-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001132409852 1375358958 /nfs/dbraw/zinc/35/89/58/1375358958.db2.gz FVQKVDJSXUJCKE-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132435499 1375379256 /nfs/dbraw/zinc/37/92/56/1375379256.db2.gz FAUKITVBZZVIKR-ZWKOTPCHSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001132435499 1375379258 /nfs/dbraw/zinc/37/92/58/1375379258.db2.gz FAUKITVBZZVIKR-ZWKOTPCHSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132435499 1375379261 /nfs/dbraw/zinc/37/92/61/1375379261.db2.gz FAUKITVBZZVIKR-ZWKOTPCHSA-N 2 1 325.541 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CCC1CCCC1 ZINC001132434641 1375379367 /nfs/dbraw/zinc/37/93/67/1375379367.db2.gz ZWYDFCOPHCUYCB-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cc(C)ccc2C)C1 ZINC001132437158 1375382174 /nfs/dbraw/zinc/38/21/74/1375382174.db2.gz QWPAVOUAQDHMIR-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C)ccc2C)C1 ZINC001132437158 1375382175 /nfs/dbraw/zinc/38/21/75/1375382175.db2.gz QWPAVOUAQDHMIR-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001132437158 1375382178 /nfs/dbraw/zinc/38/21/78/1375382178.db2.gz QWPAVOUAQDHMIR-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132442350 1375386386 /nfs/dbraw/zinc/38/63/86/1375386386.db2.gz ZXJGRENRQDKPML-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001132442350 1375386393 /nfs/dbraw/zinc/38/63/93/1375386393.db2.gz ZXJGRENRQDKPML-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001132442350 1375386398 /nfs/dbraw/zinc/38/63/98/1375386398.db2.gz ZXJGRENRQDKPML-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001132442304 1375386963 /nfs/dbraw/zinc/38/69/63/1375386963.db2.gz ZBARESCDDJQTIK-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132442304 1375386967 /nfs/dbraw/zinc/38/69/67/1375386967.db2.gz ZBARESCDDJQTIK-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132442304 1375386972 /nfs/dbraw/zinc/38/69/72/1375386972.db2.gz ZBARESCDDJQTIK-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132492115 1375423759 /nfs/dbraw/zinc/42/37/59/1375423759.db2.gz CKVSQKYAMOPWPC-RBUKOAKNSA-N 2 1 337.552 3.412 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CC1CC(C)(C)C1 ZINC001132517422 1375435859 /nfs/dbraw/zinc/43/58/59/1375435859.db2.gz CCQYMRLRVDCLQI-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548995 1375455350 /nfs/dbraw/zinc/45/53/50/1375455350.db2.gz MAICCVFXFOCNHR-RTBURBONSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC001228053657 1375512498 /nfs/dbraw/zinc/51/24/98/1375512498.db2.gz JNKXGWUKBLLXMH-UHFFFAOYSA-N 2 1 345.531 3.114 20 0 EGADMP O=C(NCC[NH2+]CCCC1CCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132795511 1375568929 /nfs/dbraw/zinc/56/89/29/1375568929.db2.gz TWHGCFMNKSCPBZ-IBGZPJMESA-N 2 1 335.536 3.070 20 0 EGADMP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001228602246 1375612578 /nfs/dbraw/zinc/61/25/78/1375612578.db2.gz FKLOSSFMCANSIT-MDZRGWNJSA-N 2 1 341.515 3.016 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001132956209 1375671659 /nfs/dbraw/zinc/67/16/59/1375671659.db2.gz AFRSDTJKCBRFOZ-IBGZPJMESA-N 2 1 329.488 3.484 20 0 EGADMP C[NH+]1CCC(c2c[nH]c3ccc(O[C@H]4CCC[N@@H+](C)C4)cc32)CC1 ZINC001228823595 1375687960 /nfs/dbraw/zinc/68/79/60/1375687960.db2.gz NBXGGXDHJQLOQI-KRWDZBQOSA-N 2 1 327.472 3.450 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001133165562 1375819525 /nfs/dbraw/zinc/81/95/25/1375819525.db2.gz JGXNVQLESDTHKT-PKOBYXMFSA-N 2 1 348.535 3.236 20 0 EGADMP CC(C)CC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001229468522 1375841148 /nfs/dbraw/zinc/84/11/48/1375841148.db2.gz FZANVSVPXHXOAZ-UHFFFAOYSA-N 2 1 334.508 3.023 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001229616879 1375865562 /nfs/dbraw/zinc/86/55/62/1375865562.db2.gz VJKGSVADYFAHDP-QGZVFWFLSA-N 2 1 348.535 3.235 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC(C)(C)C)C1 ZINC001229692169 1375877483 /nfs/dbraw/zinc/87/74/83/1375877483.db2.gz FMXKJQHGCQHHOK-RCCFBDPRSA-N 2 1 337.552 3.172 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NC1CC[NH+](CC=C(C)C)CC1)c1ccccc1 ZINC001230016559 1375931360 /nfs/dbraw/zinc/93/13/60/1375931360.db2.gz PZANKUYFVKCPKJ-HXUWFJFHSA-N 2 1 343.515 3.226 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001230284873 1375983491 /nfs/dbraw/zinc/98/34/91/1375983491.db2.gz XOBPLCUXEISJDB-RTBURBONSA-N 2 1 349.563 3.314 20 0 EGADMP CCC/C=C/CC[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001230334203 1376000903 /nfs/dbraw/zinc/00/09/03/1376000903.db2.gz LNLQUGUFQMJUPM-QCUYKYDPSA-N 2 1 335.536 3.186 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001230359602 1376007887 /nfs/dbraw/zinc/00/78/87/1376007887.db2.gz FJGGLXHNDYULFE-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001230585015 1376087274 /nfs/dbraw/zinc/08/72/74/1376087274.db2.gz VVHXZJBLWTYKNG-IKLBINMZSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001230585015 1376087280 /nfs/dbraw/zinc/08/72/80/1376087280.db2.gz VVHXZJBLWTYKNG-IKLBINMZSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001230585015 1376087285 /nfs/dbraw/zinc/08/72/85/1376087285.db2.gz VVHXZJBLWTYKNG-IKLBINMZSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230611726 1376101952 /nfs/dbraw/zinc/10/19/52/1376101952.db2.gz YZDYPGYMELXHJA-MJGOQNOKSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4c[nH]c5cnccc45)C[C@@H]3C2)cc1 ZINC001231517522 1376255409 /nfs/dbraw/zinc/25/54/09/1376255409.db2.gz XEYUCNVJPZUKIU-BGYRXZFFSA-N 2 1 346.478 3.435 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4c[nH]c5cnccc45)C[C@@H]3C2)cc1 ZINC001231517522 1376255415 /nfs/dbraw/zinc/25/54/15/1376255415.db2.gz XEYUCNVJPZUKIU-BGYRXZFFSA-N 2 1 346.478 3.435 20 0 EGADMP c1cc2cc(CN3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)ncc2[nH]1 ZINC001231668863 1376300905 /nfs/dbraw/zinc/30/09/05/1376300905.db2.gz MEXFZCGGQCFHAG-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP c1cc2cc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)ncc2[nH]1 ZINC001231668863 1376300912 /nfs/dbraw/zinc/30/09/12/1376300912.db2.gz MEXFZCGGQCFHAG-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP c1cc2cc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)ncc2[nH]1 ZINC001231668863 1376300922 /nfs/dbraw/zinc/30/09/22/1376300922.db2.gz MEXFZCGGQCFHAG-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP c1cc2cc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ncc2[nH]1 ZINC001231668863 1376300934 /nfs/dbraw/zinc/30/09/34/1376300934.db2.gz MEXFZCGGQCFHAG-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP c1cc2cc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ncc2[nH]1 ZINC001231668863 1376300937 /nfs/dbraw/zinc/30/09/37/1376300937.db2.gz MEXFZCGGQCFHAG-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015154 1376384819 /nfs/dbraw/zinc/38/48/19/1376384819.db2.gz BYBLQPQHMYASAH-UKRRQHHQSA-N 2 1 344.459 3.441 20 0 EGADMP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc(O)c3ncccc23)CC1 ZINC001232282759 1376431684 /nfs/dbraw/zinc/43/16/84/1376431684.db2.gz ZEGLLJOLTYQAAF-UHFFFAOYSA-N 2 1 325.456 3.391 20 0 EGADMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C4CCCCC4)C3)cn2)CC1 ZINC001232362357 1376448983 /nfs/dbraw/zinc/44/89/83/1376448983.db2.gz SQLPNQYMOIJVHD-HXUWFJFHSA-N 2 1 342.531 3.236 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc(N)nc1)CC2 ZINC001232366665 1376451437 /nfs/dbraw/zinc/45/14/37/1376451437.db2.gz XHIGTCRXDKFKSX-GOSISDBHSA-N 2 1 340.471 3.133 20 0 EGADMP CNc1ccccc1C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001232669125 1376497241 /nfs/dbraw/zinc/49/72/41/1376497241.db2.gz UCBSNLDZEXWWGB-FQEVSTJZSA-N 2 1 331.504 3.051 20 0 EGADMP CNc1ccccc1C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001232669125 1376497244 /nfs/dbraw/zinc/49/72/44/1376497244.db2.gz UCBSNLDZEXWWGB-FQEVSTJZSA-N 2 1 331.504 3.051 20 0 EGADMP CNc1ccccc1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001232669125 1376497245 /nfs/dbraw/zinc/49/72/45/1376497245.db2.gz UCBSNLDZEXWWGB-FQEVSTJZSA-N 2 1 331.504 3.051 20 0 EGADMP CNc1ccccc1C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001232669125 1376497247 /nfs/dbraw/zinc/49/72/47/1376497247.db2.gz UCBSNLDZEXWWGB-FQEVSTJZSA-N 2 1 331.504 3.051 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[NH+]2C)cc1 ZINC001134556259 1376592177 /nfs/dbraw/zinc/59/21/77/1376592177.db2.gz QZMJIJXWKWUSTF-LJQANCHMSA-N 2 1 331.504 3.133 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C)cc1 ZINC001134556259 1376592181 /nfs/dbraw/zinc/59/21/81/1376592181.db2.gz QZMJIJXWKWUSTF-LJQANCHMSA-N 2 1 331.504 3.133 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2C)cc1 ZINC001134556259 1376592184 /nfs/dbraw/zinc/59/21/84/1376592184.db2.gz QZMJIJXWKWUSTF-LJQANCHMSA-N 2 1 331.504 3.133 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001134570606 1376602089 /nfs/dbraw/zinc/60/20/89/1376602089.db2.gz UXIBJPGJSGHUSB-UHFFFAOYSA-N 2 1 334.508 3.073 20 0 EGADMP CCc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001134608034 1376622425 /nfs/dbraw/zinc/62/24/25/1376622425.db2.gz PRTYWHUNLDZRKD-SJORKVTESA-N 2 1 345.531 3.106 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21)[NH+](CC)CC ZINC001189111245 1388461408 /nfs/dbraw/zinc/46/14/08/1388461408.db2.gz XTOCBTCHEDJCKU-OKZBNKHCSA-N 2 1 337.552 3.076 20 0 EGADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](C[C@@H]1CC=CCC1)CC2 ZINC001235020009 1376827208 /nfs/dbraw/zinc/82/72/08/1376827208.db2.gz CGRGSQAIUOOWOF-QGZVFWFLSA-N 2 1 326.484 3.488 20 0 EGADMP CN(c1ccc(F)cc1)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235031798 1376831202 /nfs/dbraw/zinc/83/12/02/1376831202.db2.gz OQHCVQYPAGJRRB-OXJNMPFZSA-N 2 1 325.431 3.387 20 0 EGADMP CN(c1ccc(F)cc1)c1ccc(C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235031798 1376831207 /nfs/dbraw/zinc/83/12/07/1376831207.db2.gz OQHCVQYPAGJRRB-OXJNMPFZSA-N 2 1 325.431 3.387 20 0 EGADMP COc1cc(OC)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC001235036172 1376834098 /nfs/dbraw/zinc/83/40/98/1376834098.db2.gz JDSGLDSQHOHZMK-HXUWFJFHSA-N 2 1 326.440 3.042 20 0 EGADMP COc1cc(OC)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC001235036172 1376834101 /nfs/dbraw/zinc/83/41/01/1376834101.db2.gz JDSGLDSQHOHZMK-HXUWFJFHSA-N 2 1 326.440 3.042 20 0 EGADMP Cc1ccc(Cl)c(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1Cl ZINC001235042607 1376838389 /nfs/dbraw/zinc/83/83/89/1376838389.db2.gz YEKPHXHTIZXNCY-IUODEOHRSA-N 2 1 329.271 3.112 20 0 EGADMP Cc1ccc(Cl)c(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1Cl ZINC001235042607 1376838392 /nfs/dbraw/zinc/83/83/92/1376838392.db2.gz YEKPHXHTIZXNCY-IUODEOHRSA-N 2 1 329.271 3.112 20 0 EGADMP CC(C)CCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135021719 1376851953 /nfs/dbraw/zinc/85/19/53/1376851953.db2.gz SCDHYQIHOBVINA-SJORKVTESA-N 2 1 348.535 3.071 20 0 EGADMP COc1nc2ccccc2cc1C[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191064 1376858437 /nfs/dbraw/zinc/85/84/37/1376858437.db2.gz PBNJXZREOVBXMQ-UHFFFAOYSA-N 2 1 325.456 3.352 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191064 1376858441 /nfs/dbraw/zinc/85/84/41/1376858441.db2.gz PBNJXZREOVBXMQ-UHFFFAOYSA-N 2 1 325.456 3.352 20 0 EGADMP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](C4C[NH2+]C4)C3)s2)cc1 ZINC001235338732 1376869273 /nfs/dbraw/zinc/86/92/73/1376869273.db2.gz CEANDNGQVPNQMA-OAHLLOKOSA-N 2 1 328.481 3.465 20 0 EGADMP Fc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c(F)c1F ZINC001235428559 1376870937 /nfs/dbraw/zinc/87/09/37/1376870937.db2.gz QQHCDAKDWFDFCN-NEPJUHHUSA-N 2 1 330.369 3.455 20 0 EGADMP Fc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c(F)c1F ZINC001235428559 1376870943 /nfs/dbraw/zinc/87/09/43/1376870943.db2.gz QQHCDAKDWFDFCN-NEPJUHHUSA-N 2 1 330.369 3.455 20 0 EGADMP COc1cc(C)cc(OC)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431118 1376872453 /nfs/dbraw/zinc/87/24/53/1376872453.db2.gz UYMCIABGDCCWKK-SJORKVTESA-N 2 1 332.488 3.224 20 0 EGADMP COc1ccc([C@@H]2CSCC[N@H+]2Cc2cccc(C[NH3+])c2)cc1 ZINC001235727549 1376886290 /nfs/dbraw/zinc/88/62/90/1376886290.db2.gz SXXGYBHCHZDQGL-IBGZPJMESA-N 2 1 328.481 3.444 20 0 EGADMP [NH3+][C@H](CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC001235885806 1376911432 /nfs/dbraw/zinc/91/14/32/1376911432.db2.gz YVHHUCYJVINPSK-HXUWFJFHSA-N 2 1 327.447 3.033 20 0 EGADMP c1ccc(CN(C[C@H]2CC[NH2+]2)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001235947345 1376921428 /nfs/dbraw/zinc/92/14/28/1376921428.db2.gz AGTDUCWCLFAOFL-YADHBBJMSA-N 2 1 335.495 3.125 20 0 EGADMP CCC[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC001236181408 1376940528 /nfs/dbraw/zinc/94/05/28/1376940528.db2.gz ZEWZHUIPSVKZBV-UHFFFAOYSA-N 3 1 329.532 3.363 20 0 EGADMP CCC[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CCNCC1 ZINC001236181408 1376940534 /nfs/dbraw/zinc/94/05/34/1376940534.db2.gz ZEWZHUIPSVKZBV-UHFFFAOYSA-N 2 1 329.532 3.363 20 0 EGADMP CCC[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CCNCC1 ZINC001236181408 1376940542 /nfs/dbraw/zinc/94/05/42/1376940542.db2.gz ZEWZHUIPSVKZBV-UHFFFAOYSA-N 2 1 329.532 3.363 20 0 EGADMP [NH3+]C1CCC([N@@H+](Cc2ccccc2)Cc2cccc3nonc32)CC1 ZINC001236227367 1376942527 /nfs/dbraw/zinc/94/25/27/1376942527.db2.gz DFABGSJQTNHXPJ-UHFFFAOYSA-N 2 1 336.439 3.495 20 0 EGADMP CC[NH+]1CCC(C[N@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001236387862 1376951686 /nfs/dbraw/zinc/95/16/86/1376951686.db2.gz HERMTOMYOJQQQE-HXUWFJFHSA-N 3 1 333.495 3.112 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001236387862 1376951689 /nfs/dbraw/zinc/95/16/89/1376951689.db2.gz HERMTOMYOJQQQE-HXUWFJFHSA-N 3 1 333.495 3.112 20 0 EGADMP COc1ccc(C[N@H+](Cc2ccc(N)c(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236446747 1376953495 /nfs/dbraw/zinc/95/34/95/1376953495.db2.gz OMMCGWBSJNZUAH-UHFFFAOYSA-N 2 1 343.446 3.171 20 0 EGADMP COc1ccc(C[N@@H+](Cc2ccc(N)c(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236446747 1376953497 /nfs/dbraw/zinc/95/34/97/1376953497.db2.gz OMMCGWBSJNZUAH-UHFFFAOYSA-N 2 1 343.446 3.171 20 0 EGADMP Cc1cc(N)[nH+]cc1-c1ncc(C(F)(F)F)cc1C1=CC[NH2+]CC1 ZINC001242083641 1377021895 /nfs/dbraw/zinc/02/18/95/1377021895.db2.gz ATRBENLMMSZKGM-UHFFFAOYSA-N 2 1 334.345 3.430 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001135306859 1377029286 /nfs/dbraw/zinc/02/92/86/1377029286.db2.gz DFBHRNXQLNHKRB-UHFFFAOYSA-N 2 1 342.487 3.001 20 0 EGADMP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@@]1(CCO)CC[NH2+]C1 ZINC001246296460 1377050858 /nfs/dbraw/zinc/05/08/58/1377050858.db2.gz ROCCBCVUXUZTHY-BLLLJJGKSA-N 2 1 331.287 3.019 20 0 EGADMP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(N3CCCCCC3=O)c2)CC[NH2+]1 ZINC001246382241 1377051606 /nfs/dbraw/zinc/05/16/06/1377051606.db2.gz BGHGEHNEGPVRJW-AZUAARDMSA-N 2 1 343.515 3.460 20 0 EGADMP C[NH+](C)C1CCC([N@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246938699 1377055702 /nfs/dbraw/zinc/05/57/02/1377055702.db2.gz SKXNUYGTXNZYRP-MHJFOBGBSA-N 3 1 333.495 3.253 20 0 EGADMP C[NH+](C)C1CCC([N@@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246938699 1377055707 /nfs/dbraw/zinc/05/57/07/1377055707.db2.gz SKXNUYGTXNZYRP-MHJFOBGBSA-N 3 1 333.495 3.253 20 0 EGADMP Fc1cccc(C[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)[C@H]2CCC[NH2+]C2)c1 ZINC001246937503 1377056352 /nfs/dbraw/zinc/05/63/52/1377056352.db2.gz PJPHGQFWFHNAJL-PMACEKPBSA-N 3 1 345.506 3.302 20 0 EGADMP Fc1cccc(C[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)[C@H]2CCC[NH2+]C2)c1 ZINC001246937503 1377056360 /nfs/dbraw/zinc/05/63/60/1377056360.db2.gz PJPHGQFWFHNAJL-PMACEKPBSA-N 3 1 345.506 3.302 20 0 EGADMP Cc1c(F)cccc1CN1CCC([NH2+][C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254508502 1377105483 /nfs/dbraw/zinc/10/54/83/1377105483.db2.gz JTYREOHZUVCMJE-SFHVURJKSA-N 2 1 333.495 3.172 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+]C2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC001254510490 1377105563 /nfs/dbraw/zinc/10/55/63/1377105563.db2.gz XAVXOGBGXVALAO-SFHVURJKSA-N 2 1 335.923 3.378 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CC1=CCCCC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135468069 1377107685 /nfs/dbraw/zinc/10/76/85/1377107685.db2.gz LXRJCEYBYRFCDF-IAGOWNOFSA-N 2 1 335.536 3.092 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477153 1377111018 /nfs/dbraw/zinc/11/10/18/1377111018.db2.gz RMCRPIYLWYLAIU-IRXDYDNUSA-N 2 1 337.552 3.172 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135481102 1377113193 /nfs/dbraw/zinc/11/31/93/1377113193.db2.gz QDAKCNUOXNIYDV-CVEARBPZSA-N 2 1 327.557 3.273 20 0 EGADMP CC(C)CC(CC(C)C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001258834685 1377119532 /nfs/dbraw/zinc/11/95/32/1377119532.db2.gz GRDYCLCATIWKIE-HOJAQTOUSA-N 2 1 347.551 3.134 20 0 EGADMP CC(C)CC(CC(C)C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001258834685 1377119534 /nfs/dbraw/zinc/11/95/34/1377119534.db2.gz GRDYCLCATIWKIE-HOJAQTOUSA-N 2 1 347.551 3.134 20 0 EGADMP CC(C)CC(CC(C)C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001258834685 1377119535 /nfs/dbraw/zinc/11/95/35/1377119535.db2.gz GRDYCLCATIWKIE-HOJAQTOUSA-N 2 1 347.551 3.134 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135679292 1377181267 /nfs/dbraw/zinc/18/12/67/1377181267.db2.gz LYHKRIMZYLSTPH-CVEARBPZSA-N 2 1 336.524 3.281 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CCCC1 ZINC001135679567 1377181951 /nfs/dbraw/zinc/18/19/51/1377181951.db2.gz NQOUUZNHBNZLLE-IAGOWNOFSA-N 2 1 348.535 3.425 20 0 EGADMP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135680461 1377182835 /nfs/dbraw/zinc/18/28/35/1377182835.db2.gz WEFKBRQHBGOKPK-SJORKVTESA-N 2 1 336.524 3.425 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266232925 1377239101 /nfs/dbraw/zinc/23/91/01/1377239101.db2.gz DEDUHUJMXKLWGR-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCc1ccccc1 ZINC001135979554 1377284855 /nfs/dbraw/zinc/28/48/55/1377284855.db2.gz HIFWQZLCZSEKJD-OALUTQOASA-N 2 1 347.547 3.224 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCc1ccccc1CC ZINC001135978975 1377285019 /nfs/dbraw/zinc/28/50/19/1377285019.db2.gz AGOOXONWJLRLKR-MSOLQXFVSA-N 2 1 347.547 3.006 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001135995163 1377291693 /nfs/dbraw/zinc/29/16/93/1377291693.db2.gz AEPRCFIMTMIZGW-IAGOWNOFSA-N 2 1 327.557 3.418 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C ZINC001135995584 1377292185 /nfs/dbraw/zinc/29/21/85/1377292185.db2.gz IDBXBALQVLERBM-ROUUACIJSA-N 2 1 333.520 3.100 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001327308809 1388493712 /nfs/dbraw/zinc/49/37/12/1388493712.db2.gz QRGOERCGVVEHAY-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001327308809 1388493716 /nfs/dbraw/zinc/49/37/16/1388493716.db2.gz QRGOERCGVVEHAY-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001327308809 1388493718 /nfs/dbraw/zinc/49/37/18/1388493718.db2.gz QRGOERCGVVEHAY-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@H](C)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001267603978 1377463806 /nfs/dbraw/zinc/46/38/06/1377463806.db2.gz BWMXCUQDMRKSRH-PKOBYXMFSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C)C[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001267603978 1377463807 /nfs/dbraw/zinc/46/38/07/1377463807.db2.gz BWMXCUQDMRKSRH-PKOBYXMFSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C)C[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001267603978 1377463809 /nfs/dbraw/zinc/46/38/09/1377463809.db2.gz BWMXCUQDMRKSRH-PKOBYXMFSA-N 2 1 337.552 3.077 20 0 EGADMP COc1cc(C)c(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc1OC ZINC001138440921 1377724592 /nfs/dbraw/zinc/72/45/92/1377724592.db2.gz LIAXTYSAYDAZHE-UHFFFAOYSA-N 2 1 341.455 3.038 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(c3ncccn3)CC2)cc1 ZINC001138547426 1377740109 /nfs/dbraw/zinc/74/01/09/1377740109.db2.gz MYNBNVDMJVLJIH-UHFFFAOYSA-N 2 1 333.439 3.350 20 0 EGADMP CC[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CCN(C)CC1 ZINC001138554839 1377741766 /nfs/dbraw/zinc/74/17/66/1377741766.db2.gz XRSHMKWPGLECBK-UHFFFAOYSA-N 2 1 328.403 3.213 20 0 EGADMP CNc1ncccc1C[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001138690228 1377768267 /nfs/dbraw/zinc/76/82/67/1377768267.db2.gz VSRVNSMLTXFERN-UHFFFAOYSA-N 2 1 347.466 3.302 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)cc1 ZINC001138769266 1377782247 /nfs/dbraw/zinc/78/22/47/1377782247.db2.gz MKRFSKNCAONESJ-MRXNPFEDSA-N 2 1 330.394 3.196 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCCC(F)(F)[C@H](F)C2)cc1 ZINC001138769266 1377782248 /nfs/dbraw/zinc/78/22/48/1377782248.db2.gz MKRFSKNCAONESJ-MRXNPFEDSA-N 2 1 330.394 3.196 20 0 EGADMP CCCCOc1cccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC001138957114 1377808759 /nfs/dbraw/zinc/80/87/59/1377808759.db2.gz ZMQLORDNNLVDNK-UHFFFAOYSA-N 2 1 345.531 3.079 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)cc2)cn1 ZINC001327433955 1388518568 /nfs/dbraw/zinc/51/85/68/1388518568.db2.gz NJMVJKISRBSLRZ-HXUWFJFHSA-N 2 1 338.499 3.251 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(-n2cncn2)cc1 ZINC001139334342 1377869523 /nfs/dbraw/zinc/86/95/23/1377869523.db2.gz RCKSIEIAOVDZHJ-VQTJNVASSA-N 2 1 339.487 3.106 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC001139334342 1377869526 /nfs/dbraw/zinc/86/95/26/1377869526.db2.gz RCKSIEIAOVDZHJ-VQTJNVASSA-N 2 1 339.487 3.106 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc(-n2cncn2)cc1 ZINC001139334342 1377869530 /nfs/dbraw/zinc/86/95/30/1377869530.db2.gz RCKSIEIAOVDZHJ-VQTJNVASSA-N 2 1 339.487 3.106 20 0 EGADMP Cc1cnc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)s1 ZINC001139814211 1377956066 /nfs/dbraw/zinc/95/60/66/1377956066.db2.gz HIDXJAQFTPVUNM-UHFFFAOYSA-N 2 1 342.512 3.335 20 0 EGADMP Cc1cnc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)s1 ZINC001139814211 1377956069 /nfs/dbraw/zinc/95/60/69/1377956069.db2.gz HIDXJAQFTPVUNM-UHFFFAOYSA-N 2 1 342.512 3.335 20 0 EGADMP c1ccc(CN2C[C@@H]3C[N@H+](Cc4cncc5ccccc54)C[C@@H]3C2)nc1 ZINC001139895535 1377974080 /nfs/dbraw/zinc/97/40/80/1377974080.db2.gz HIVXEQUOZIGWSZ-BGYRXZFFSA-N 2 1 344.462 3.194 20 0 EGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1c[nH]c2ncnc(Cl)c12 ZINC001139939322 1377979983 /nfs/dbraw/zinc/97/99/83/1377979983.db2.gz XFCSFHPTLJABOU-LSDHHAIUSA-N 2 1 347.894 3.402 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1c[nH]c2ncnc(Cl)c12 ZINC001139939322 1377979991 /nfs/dbraw/zinc/97/99/91/1377979991.db2.gz XFCSFHPTLJABOU-LSDHHAIUSA-N 2 1 347.894 3.402 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1c[nH]c2ncnc(Cl)c12 ZINC001139939322 1377979999 /nfs/dbraw/zinc/97/99/99/1377979999.db2.gz XFCSFHPTLJABOU-LSDHHAIUSA-N 2 1 347.894 3.402 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1c[nH]c2ncnc(Cl)c12 ZINC001139939322 1377980003 /nfs/dbraw/zinc/98/00/03/1377980003.db2.gz XFCSFHPTLJABOU-LSDHHAIUSA-N 2 1 347.894 3.402 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC001140165246 1378024515 /nfs/dbraw/zinc/02/45/15/1378024515.db2.gz PAIVWQMYJGRXCP-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001140165246 1378024516 /nfs/dbraw/zinc/02/45/16/1378024516.db2.gz PAIVWQMYJGRXCP-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001140165246 1378024517 /nfs/dbraw/zinc/02/45/17/1378024517.db2.gz PAIVWQMYJGRXCP-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001140165246 1378024518 /nfs/dbraw/zinc/02/45/18/1378024518.db2.gz PAIVWQMYJGRXCP-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001140165246 1378024519 /nfs/dbraw/zinc/02/45/19/1378024519.db2.gz PAIVWQMYJGRXCP-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP O=C1CC2(CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)c2ccccc2N1 ZINC001140803284 1378140751 /nfs/dbraw/zinc/14/07/51/1378140751.db2.gz MUJGEOQTOWAXLH-UHFFFAOYSA-N 2 1 346.434 3.439 20 0 EGADMP C[C@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCC[C@@]1(O)C(F)(F)F ZINC001140802399 1378141238 /nfs/dbraw/zinc/14/12/38/1378141238.db2.gz UUHYUGLPASNBGK-NHYWBVRUSA-N 2 1 327.350 3.088 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCC[C@@]1(O)C(F)(F)F ZINC001140802399 1378141241 /nfs/dbraw/zinc/14/12/41/1378141241.db2.gz UUHYUGLPASNBGK-NHYWBVRUSA-N 2 1 327.350 3.088 20 0 EGADMP CCOC(=O)CCC[N@@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001277880969 1378249291 /nfs/dbraw/zinc/24/92/91/1378249291.db2.gz OXUXJCLCQYKYEG-FQEVSTJZSA-N 2 1 336.520 3.450 20 0 EGADMP CCOC(=O)CCC[N@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001277880969 1378249297 /nfs/dbraw/zinc/24/92/97/1378249297.db2.gz OXUXJCLCQYKYEG-FQEVSTJZSA-N 2 1 336.520 3.450 20 0 EGADMP CCOC(=O)CCC[NH+]1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001277880969 1378249302 /nfs/dbraw/zinc/24/93/02/1378249302.db2.gz OXUXJCLCQYKYEG-FQEVSTJZSA-N 2 1 336.520 3.450 20 0 EGADMP CCOC(=O)CCC[NH+]1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001277880969 1378249305 /nfs/dbraw/zinc/24/93/05/1378249305.db2.gz OXUXJCLCQYKYEG-FQEVSTJZSA-N 2 1 336.520 3.450 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001278450659 1378272033 /nfs/dbraw/zinc/27/20/33/1378272033.db2.gz RTKWSPIEPQVTLT-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2cccc(-n3ccnc3)c2)C1 ZINC001141243219 1378281385 /nfs/dbraw/zinc/28/13/85/1378281385.db2.gz AIXOXHCRTCVNST-LJQANCHMSA-N 2 1 334.423 3.229 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2 ZINC001142588023 1378462002 /nfs/dbraw/zinc/46/20/02/1378462002.db2.gz LNQXFEZFFWQXIM-HXUWFJFHSA-N 2 1 343.515 3.309 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccn5ccnc45)C[C@H]3C2)cc1 ZINC001142952330 1378515818 /nfs/dbraw/zinc/51/58/18/1378515818.db2.gz OFJFDEIZXRAVON-NHCUHLMSSA-N 2 1 346.478 3.207 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(Cc3cc(F)cc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001143258065 1378570591 /nfs/dbraw/zinc/57/05/91/1378570591.db2.gz RMQSOAIFPCJXFE-OLZOCXBDSA-N 2 1 332.341 3.108 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(F)cc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001143258065 1378570595 /nfs/dbraw/zinc/57/05/95/1378570595.db2.gz RMQSOAIFPCJXFE-OLZOCXBDSA-N 2 1 332.341 3.108 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(F)cc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001143258065 1378570601 /nfs/dbraw/zinc/57/06/01/1378570601.db2.gz RMQSOAIFPCJXFE-OLZOCXBDSA-N 2 1 332.341 3.108 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(F)cc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001143258065 1378570603 /nfs/dbraw/zinc/57/06/03/1378570603.db2.gz RMQSOAIFPCJXFE-OLZOCXBDSA-N 2 1 332.341 3.108 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(F)cc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001143258065 1378570607 /nfs/dbraw/zinc/57/06/07/1378570607.db2.gz RMQSOAIFPCJXFE-OLZOCXBDSA-N 2 1 332.341 3.108 20 0 EGADMP COc1c(F)cccc1C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001143524463 1378609410 /nfs/dbraw/zinc/60/94/10/1378609410.db2.gz RFACNLVAUNGKTJ-UHFFFAOYSA-N 2 1 329.419 3.277 20 0 EGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OC(F)(F)F ZINC001143873562 1378656037 /nfs/dbraw/zinc/65/60/37/1378656037.db2.gz UZPNKRDABIZVQD-UHFFFAOYSA-N 2 1 346.393 3.367 20 0 EGADMP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c(OC(F)(F)F)c1 ZINC001144051194 1378674907 /nfs/dbraw/zinc/67/49/07/1378674907.db2.gz HZXVFYSHDJWFSA-UHFFFAOYSA-N 2 1 346.393 3.367 20 0 EGADMP c1[nH+]c(CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c2ccccn12 ZINC001144624814 1378752203 /nfs/dbraw/zinc/75/22/03/1378752203.db2.gz RSXXJASBBRRRKA-NQIIRXRSSA-N 2 1 332.451 3.041 20 0 EGADMP c1[nH+]c(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)c2ccccn12 ZINC001144624814 1378752206 /nfs/dbraw/zinc/75/22/06/1378752206.db2.gz RSXXJASBBRRRKA-NQIIRXRSSA-N 2 1 332.451 3.041 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1sccc1Cl ZINC001146593884 1378872950 /nfs/dbraw/zinc/87/29/50/1378872950.db2.gz QYCGKIHMSTZRQS-STQMWFEESA-N 2 1 345.940 3.115 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001146591924 1378873125 /nfs/dbraw/zinc/87/31/25/1378873125.db2.gz IJABXWKGKUPWCR-OLZOCXBDSA-N 2 1 345.940 3.115 20 0 EGADMP Cc1ccccc1CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146601653 1378875484 /nfs/dbraw/zinc/87/54/84/1378875484.db2.gz NMCHLBRQCDFABE-RTBURBONSA-N 2 1 347.547 3.141 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001146710260 1378904859 /nfs/dbraw/zinc/90/48/59/1378904859.db2.gz IJXOYQPPXDJSCP-GFCCVEGCSA-N 2 1 346.302 3.102 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001147359137 1379008298 /nfs/dbraw/zinc/00/82/98/1379008298.db2.gz LYBNJSDNJNBZGK-APWZRJJASA-N 2 1 349.494 3.247 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001147359965 1379009246 /nfs/dbraw/zinc/00/92/46/1379009246.db2.gz XZWXARYMUAMTAX-QUCCMNQESA-N 2 1 345.531 3.416 20 0 EGADMP CCCCC[N@@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001147583809 1379046424 /nfs/dbraw/zinc/04/64/24/1379046424.db2.gz WRLPCEMRIAOGCA-KRWDZBQOSA-N 2 1 346.519 3.121 20 0 EGADMP CCCCC[N@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001147583809 1379046426 /nfs/dbraw/zinc/04/64/26/1379046426.db2.gz WRLPCEMRIAOGCA-KRWDZBQOSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001148577760 1379216474 /nfs/dbraw/zinc/21/64/74/1379216474.db2.gz BOKNPMYHAIODHJ-KRWDZBQOSA-N 2 1 341.499 3.339 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)[C@H]1C ZINC001283925960 1379277505 /nfs/dbraw/zinc/27/75/05/1379277505.db2.gz FKFZTUYCVMELTP-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001148838897 1379279507 /nfs/dbraw/zinc/27/95/07/1379279507.db2.gz HFDODDIDSILRPI-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C[C@@H]1C ZINC001284016980 1379365868 /nfs/dbraw/zinc/36/58/68/1379365868.db2.gz LIKCTENANKLYLD-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@H+]1CCCC1CCC1 ZINC001284128600 1379506463 /nfs/dbraw/zinc/50/64/63/1379506463.db2.gz NEVZDZQIAHSMKK-VQIMIIECSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCC[NH+]1CCCC1CCC1 ZINC001284128600 1379506465 /nfs/dbraw/zinc/50/64/65/1379506465.db2.gz NEVZDZQIAHSMKK-VQIMIIECSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCC[NH+]1CCCC1CCC1 ZINC001284128600 1379506467 /nfs/dbraw/zinc/50/64/67/1379506467.db2.gz NEVZDZQIAHSMKK-VQIMIIECSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001327940207 1388628115 /nfs/dbraw/zinc/62/81/15/1388628115.db2.gz LXYMUTVXULMCKG-XLIONFOSSA-N 2 1 345.531 3.088 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC001152446096 1379935326 /nfs/dbraw/zinc/93/53/26/1379935326.db2.gz UBNYBFBJROBMRY-LBPRGKRZSA-N 2 1 346.302 3.100 20 0 EGADMP CC(C)(C)[C@H](C[NH2+]CC1CCCCCC1)NC(=O)CCc1cnc[nH]1 ZINC001284600085 1380001042 /nfs/dbraw/zinc/00/10/42/1380001042.db2.gz YXYZSWFBQCGQNY-SFHVURJKSA-N 2 1 348.535 3.433 20 0 EGADMP Cc1cccc(C)c1C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001284614638 1380013793 /nfs/dbraw/zinc/01/37/93/1380013793.db2.gz VPAXEKICDXPXKX-RTBURBONSA-N 2 1 345.531 3.018 20 0 EGADMP CC[N@@H+](Cc1ccccc1F)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313420 1380053235 /nfs/dbraw/zinc/05/32/35/1380053235.db2.gz QIZXDAOJTXDUMV-APWZRJJASA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](Cc1ccccc1F)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153313420 1380053242 /nfs/dbraw/zinc/05/32/42/1380053242.db2.gz QIZXDAOJTXDUMV-APWZRJJASA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](Cc1ccccc1F)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153313420 1380053248 /nfs/dbraw/zinc/05/32/48/1380053248.db2.gz QIZXDAOJTXDUMV-APWZRJJASA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033933 1380187038 /nfs/dbraw/zinc/18/70/38/1380187038.db2.gz QMDKUNHSTLKJOS-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154033933 1380187039 /nfs/dbraw/zinc/18/70/39/1380187039.db2.gz QMDKUNHSTLKJOS-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154033933 1380187042 /nfs/dbraw/zinc/18/70/42/1380187042.db2.gz QMDKUNHSTLKJOS-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154034205 1380187262 /nfs/dbraw/zinc/18/72/62/1380187262.db2.gz VODZNJUEPRZVIO-QKFVEJEJSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154034205 1380187265 /nfs/dbraw/zinc/18/72/65/1380187265.db2.gz VODZNJUEPRZVIO-QKFVEJEJSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154034205 1380187266 /nfs/dbraw/zinc/18/72/66/1380187266.db2.gz VODZNJUEPRZVIO-QKFVEJEJSA-N 2 1 343.515 3.011 20 0 EGADMP CC[N@@H+](CC(C)C)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099148 1380207145 /nfs/dbraw/zinc/20/71/45/1380207145.db2.gz CCIJLENDGMEIOA-MRXNPFEDSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](CC(C)C)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001154099148 1380207149 /nfs/dbraw/zinc/20/71/49/1380207149.db2.gz CCIJLENDGMEIOA-MRXNPFEDSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](CC(C)C)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001154099148 1380207154 /nfs/dbraw/zinc/20/71/54/1380207154.db2.gz CCIJLENDGMEIOA-MRXNPFEDSA-N 2 1 325.541 3.122 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455008 1380280608 /nfs/dbraw/zinc/28/06/08/1380280608.db2.gz BEVNWVVTGWPCKZ-XLIONFOSSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154481671 1380285636 /nfs/dbraw/zinc/28/56/36/1380285636.db2.gz QGJMDTOOICNQDW-ZWKOTPCHSA-N 2 1 347.547 3.277 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580037 1380309044 /nfs/dbraw/zinc/30/90/44/1380309044.db2.gz LTQKZHRNCNHPAA-QGZVFWFLSA-N 2 1 335.536 3.188 20 0 EGADMP COc1cc2[nH+]c(NC[C@@H]3CCC[NH2+]C[C@H]3C)ccc2c(OC)c1 ZINC001155032071 1380395123 /nfs/dbraw/zinc/39/51/23/1380395123.db2.gz WLYVFLVCTPTZBK-KGLIPLIRSA-N 2 1 329.444 3.300 20 0 EGADMP CC[N@@H+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155067104 1380402573 /nfs/dbraw/zinc/40/25/73/1380402573.db2.gz RTKMKAMTCJGIDF-UYAOXDASSA-N 2 1 347.547 3.216 20 0 EGADMP F[C@]1(CNc2nc(Cl)ccc2C[NH+]2CCCC2)CCCC[NH2+]C1 ZINC001155118591 1380412084 /nfs/dbraw/zinc/41/20/84/1380412084.db2.gz YPOUVJQISILXED-QGZVFWFLSA-N 2 1 340.874 3.225 20 0 EGADMP CCc1ccccc1C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226964 1380426823 /nfs/dbraw/zinc/42/68/23/1380426823.db2.gz SKQZFPXEIRHHSR-ZWKOTPCHSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155226964 1380426824 /nfs/dbraw/zinc/42/68/24/1380426824.db2.gz SKQZFPXEIRHHSR-ZWKOTPCHSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155226964 1380426825 /nfs/dbraw/zinc/42/68/25/1380426825.db2.gz SKQZFPXEIRHHSR-ZWKOTPCHSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155250029 1380429133 /nfs/dbraw/zinc/42/91/33/1380429133.db2.gz ZPTGNTXATLGVJS-QGZVFWFLSA-N 2 1 345.531 3.031 20 0 EGADMP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255246 1380429503 /nfs/dbraw/zinc/42/95/03/1380429503.db2.gz OSORGZQOARQBDT-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001155255246 1380429504 /nfs/dbraw/zinc/42/95/04/1380429504.db2.gz OSORGZQOARQBDT-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001155255246 1380429505 /nfs/dbraw/zinc/42/95/05/1380429505.db2.gz OSORGZQOARQBDT-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155283420 1380433300 /nfs/dbraw/zinc/43/33/00/1380433300.db2.gz SBXWZLRMVDUXHO-ZWKOTPCHSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001155283420 1380433301 /nfs/dbraw/zinc/43/33/01/1380433301.db2.gz SBXWZLRMVDUXHO-ZWKOTPCHSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001155283420 1380433302 /nfs/dbraw/zinc/43/33/02/1380433302.db2.gz SBXWZLRMVDUXHO-ZWKOTPCHSA-N 2 1 339.568 3.227 20 0 EGADMP CCCc1ccc(C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C)cc1 ZINC001155289053 1380433596 /nfs/dbraw/zinc/43/35/96/1380433596.db2.gz HYQICHUWXYYKPL-XLIONFOSSA-N 2 1 347.547 3.306 20 0 EGADMP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155558990 1380468672 /nfs/dbraw/zinc/46/86/72/1380468672.db2.gz IAJIBUPAKKIITQ-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155558990 1380468673 /nfs/dbraw/zinc/46/86/73/1380468673.db2.gz IAJIBUPAKKIITQ-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP Cc1ccc2c(C)cc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)[nH+]c2c1C ZINC001155625883 1380475330 /nfs/dbraw/zinc/47/53/30/1380475330.db2.gz NYSBFMVZYFIYEL-OXJNMPFZSA-N 2 1 325.456 3.483 20 0 EGADMP CC[N@H+](Cc1ccsc1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825177 1380495676 /nfs/dbraw/zinc/49/56/76/1380495676.db2.gz FTKSNVBFWKDLPM-OAHLLOKOSA-N 2 1 348.516 3.060 20 0 EGADMP CC[N@@H+](Cc1ccsc1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825177 1380495678 /nfs/dbraw/zinc/49/56/78/1380495678.db2.gz FTKSNVBFWKDLPM-OAHLLOKOSA-N 2 1 348.516 3.060 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1sccc1Cl ZINC001155900525 1380503918 /nfs/dbraw/zinc/50/39/18/1380503918.db2.gz WYCBSVPNNJWUOH-CYBMUJFWSA-N 2 1 345.940 3.070 20 0 EGADMP CC(C)N(CCC[NH3+])c1[nH+]cnc2c1ccn2Cc1cccc(F)c1 ZINC001156118126 1380527200 /nfs/dbraw/zinc/52/72/00/1380527200.db2.gz SRZRHHLUHMQKAD-UHFFFAOYSA-N 2 1 341.434 3.182 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001156299310 1380553933 /nfs/dbraw/zinc/55/39/33/1380553933.db2.gz SADXTFKNKSWPNZ-HPFMTEOYSA-N 2 1 349.563 3.291 20 0 EGADMP Cc1cnc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c(C[NH3+])c1 ZINC001156317736 1380557266 /nfs/dbraw/zinc/55/72/66/1380557266.db2.gz NEWXXAJVIJTGFG-MISYRCLQSA-N 2 1 336.483 3.171 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C)c(C)c1 ZINC001156517365 1380587404 /nfs/dbraw/zinc/58/74/04/1380587404.db2.gz WFIXNZZUTNKEHV-LJQANCHMSA-N 2 1 347.547 3.362 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C)c(C)c1 ZINC001156517365 1380587406 /nfs/dbraw/zinc/58/74/06/1380587406.db2.gz WFIXNZZUTNKEHV-LJQANCHMSA-N 2 1 347.547 3.362 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C)c(C)c1 ZINC001156517365 1380587407 /nfs/dbraw/zinc/58/74/07/1380587407.db2.gz WFIXNZZUTNKEHV-LJQANCHMSA-N 2 1 347.547 3.362 20 0 EGADMP CC[N@@H+](CC/C=C/c1ccccc1)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156935235 1380733132 /nfs/dbraw/zinc/73/31/32/1380733132.db2.gz NUIKQXIWKLNUHR-HBAHQKBISA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092303 1380773874 /nfs/dbraw/zinc/77/38/74/1380773874.db2.gz QJDZPHIXGYNMEA-GOSISDBHSA-N 2 1 335.536 3.189 20 0 EGADMP CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001157109062 1380778051 /nfs/dbraw/zinc/77/80/51/1380778051.db2.gz IDGCDVCFWGSAIQ-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](CCCc1ccc(C)cc1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157114397 1380779839 /nfs/dbraw/zinc/77/98/39/1380779839.db2.gz XEFRGBPMQBWHTQ-LJQANCHMSA-N 2 1 347.547 3.094 20 0 EGADMP CC[NH+](CCCc1ccc(C)cc1)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157114397 1380779843 /nfs/dbraw/zinc/77/98/43/1380779843.db2.gz XEFRGBPMQBWHTQ-LJQANCHMSA-N 2 1 347.547 3.094 20 0 EGADMP CC[NH+](CCCc1ccc(C)cc1)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157114397 1380779849 /nfs/dbraw/zinc/77/98/49/1380779849.db2.gz XEFRGBPMQBWHTQ-LJQANCHMSA-N 2 1 347.547 3.094 20 0 EGADMP CC[N@@H+](CCCc1cccc(C)c1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157114176 1380780151 /nfs/dbraw/zinc/78/01/51/1380780151.db2.gz RVVQEKBHZWPFBV-LJQANCHMSA-N 2 1 347.547 3.094 20 0 EGADMP CC[NH+](CCCc1cccc(C)c1)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157114176 1380780154 /nfs/dbraw/zinc/78/01/54/1380780154.db2.gz RVVQEKBHZWPFBV-LJQANCHMSA-N 2 1 347.547 3.094 20 0 EGADMP CC[NH+](CCCc1cccc(C)c1)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157114176 1380780161 /nfs/dbraw/zinc/78/01/61/1380780161.db2.gz RVVQEKBHZWPFBV-LJQANCHMSA-N 2 1 347.547 3.094 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001157118963 1380780314 /nfs/dbraw/zinc/78/03/14/1380780314.db2.gz QFDOJRVOKPLXEF-RTBURBONSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3[C@H](C2)CCC[NH+]3C)nc1 ZINC001157281267 1380832389 /nfs/dbraw/zinc/83/23/89/1380832389.db2.gz DZFRGJHXGWWVEL-OTWHNJEPSA-N 2 1 328.504 3.159 20 0 EGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)nc1 ZINC001157281267 1380832398 /nfs/dbraw/zinc/83/23/98/1380832398.db2.gz DZFRGJHXGWWVEL-OTWHNJEPSA-N 2 1 328.504 3.159 20 0 EGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)nc1 ZINC001157281267 1380832404 /nfs/dbraw/zinc/83/24/04/1380832404.db2.gz DZFRGJHXGWWVEL-OTWHNJEPSA-N 2 1 328.504 3.159 20 0 EGADMP CCC[N@H+]1C[C@H]2CN(c3cc4cc(OC)c(OC)cc4c[nH+]3)C[C@H]2C1 ZINC001157698168 1381006028 /nfs/dbraw/zinc/00/60/28/1381006028.db2.gz DHUZBXUALVFVKN-CALCHBBNSA-N 2 1 341.455 3.030 20 0 EGADMP CCC[N@@H+]1C[C@H]2CN(c3cc4cc(OC)c(OC)cc4c[nH+]3)C[C@H]2C1 ZINC001157698168 1381006031 /nfs/dbraw/zinc/00/60/31/1381006031.db2.gz DHUZBXUALVFVKN-CALCHBBNSA-N 2 1 341.455 3.030 20 0 EGADMP CCC[NH+]1C[C@@H]2CN(c3cc4cc(OC)c(OC)cc4c[nH+]3)C[C@H]2C1 ZINC001157698169 1381006510 /nfs/dbraw/zinc/00/65/10/1381006510.db2.gz DHUZBXUALVFVKN-IAGOWNOFSA-N 2 1 341.455 3.030 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001157899067 1381065228 /nfs/dbraw/zinc/06/52/28/1381065228.db2.gz IVUVQZVTDQTDMM-PKOBYXMFSA-N 2 1 331.504 3.025 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001158082316 1381122718 /nfs/dbraw/zinc/12/27/18/1381122718.db2.gz BOAINOQVYIKATA-RTBURBONSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)=CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001158082316 1381122721 /nfs/dbraw/zinc/12/27/21/1381122721.db2.gz BOAINOQVYIKATA-RTBURBONSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)=CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001158082316 1381122731 /nfs/dbraw/zinc/12/27/31/1381122731.db2.gz BOAINOQVYIKATA-RTBURBONSA-N 2 1 335.536 3.140 20 0 EGADMP Cn1ccc2c1cc[nH+]c2-n1c(CCC[NH3+])nc2ccc(Cl)cc21 ZINC001158134848 1381137768 /nfs/dbraw/zinc/13/77/68/1381137768.db2.gz GXKBXARLUJIYHY-UHFFFAOYSA-N 2 1 339.830 3.457 20 0 EGADMP Cc1c[nH+]c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)nc1N1CCCC1 ZINC001158260117 1381175936 /nfs/dbraw/zinc/17/59/36/1381175936.db2.gz VGDAACDKPQJAAR-BEFAXECRSA-N 2 1 331.508 3.341 20 0 EGADMP CC1(C)C[C@H](Nc2cc[nH+]c(N3CCCCC3)n2)C[C@](C)(C[NH3+])C1 ZINC001158265638 1381178348 /nfs/dbraw/zinc/17/83/48/1381178348.db2.gz PCLQLRPVJJPDGV-KXBFYZLASA-N 2 1 331.508 3.423 20 0 EGADMP CCC/C=C\CC[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001158353921 1381213669 /nfs/dbraw/zinc/21/36/69/1381213669.db2.gz ALFRPHMPICNGOM-QWPQOLDESA-N 2 1 334.508 3.239 20 0 EGADMP CC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001158385399 1381227529 /nfs/dbraw/zinc/22/75/29/1381227529.db2.gz GRFUWTPKJFHMGF-MRNGTQDMSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001158385399 1381227530 /nfs/dbraw/zinc/22/75/30/1381227530.db2.gz GRFUWTPKJFHMGF-MRNGTQDMSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001158385399 1381227536 /nfs/dbraw/zinc/22/75/36/1381227536.db2.gz GRFUWTPKJFHMGF-MRNGTQDMSA-N 2 1 349.563 3.386 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158435136 1381246399 /nfs/dbraw/zinc/24/63/99/1381246399.db2.gz SGVZHYDWZPPIRG-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001158549340 1381292362 /nfs/dbraw/zinc/29/23/62/1381292362.db2.gz CKDZLIBNMUZHTM-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CCC(C)(C)C ZINC001158704917 1381360499 /nfs/dbraw/zinc/36/04/99/1381360499.db2.gz ZDQOWADTCHOBJT-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)(C)C ZINC001158704917 1381360504 /nfs/dbraw/zinc/36/05/04/1381360504.db2.gz ZDQOWADTCHOBJT-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)(C)C ZINC001158704917 1381360508 /nfs/dbraw/zinc/36/05/08/1381360508.db2.gz ZDQOWADTCHOBJT-QGZVFWFLSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CCCC1CCC1 ZINC001158786636 1381399901 /nfs/dbraw/zinc/39/99/01/1381399901.db2.gz BMCHVSUUQFOOIJ-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC1CCC1 ZINC001158786636 1381399905 /nfs/dbraw/zinc/39/99/05/1381399905.db2.gz BMCHVSUUQFOOIJ-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC1CCC1 ZINC001158786636 1381399907 /nfs/dbraw/zinc/39/99/07/1381399907.db2.gz BMCHVSUUQFOOIJ-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)C[C@H](C)CC(C)C ZINC001158872551 1381444592 /nfs/dbraw/zinc/44/45/92/1381444592.db2.gz PEKWRXRUFAHWED-IEBWSBKVSA-N 2 1 348.535 3.187 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@H](C)CC(C)C ZINC001158872551 1381444596 /nfs/dbraw/zinc/44/45/96/1381444596.db2.gz PEKWRXRUFAHWED-IEBWSBKVSA-N 2 1 348.535 3.187 20 0 EGADMP CC(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001158914283 1381461414 /nfs/dbraw/zinc/46/14/14/1381461414.db2.gz LSBGTMZBSNMLGC-HXUWFJFHSA-N 2 1 345.531 3.331 20 0 EGADMP [NH3+][C@@H](CCc1nc([C@@H]([NH3+])c2ccccc2)no1)CC1CCCCC1 ZINC001328378924 1388733558 /nfs/dbraw/zinc/73/35/58/1388733558.db2.gz HIDIGNGAVCTDCO-WMZOPIPTSA-N 2 1 328.460 3.348 20 0 EGADMP [NH3+][C@H](CCc1nc([C@H]([NH3+])c2ccccc2)no1)CC1CCCCC1 ZINC001328378923 1388733573 /nfs/dbraw/zinc/73/35/73/1388733573.db2.gz HIDIGNGAVCTDCO-SJLPKXTDSA-N 2 1 328.460 3.348 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001159335381 1381767899 /nfs/dbraw/zinc/76/78/99/1381767899.db2.gz ZIRFDMYWKGHQCU-IBGZPJMESA-N 2 1 337.552 3.317 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001159355367 1381775247 /nfs/dbraw/zinc/77/52/47/1381775247.db2.gz DNEHIIYPYMNKDR-HKUYNNGSSA-N 2 1 331.504 3.026 20 0 EGADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC001159916723 1381936319 /nfs/dbraw/zinc/93/63/19/1381936319.db2.gz RFCBCUPOGBONHU-XLIONFOSSA-N 2 1 343.515 3.251 20 0 EGADMP O=C(NCCC[NH2+]CC1CC2(CCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159915241 1381936592 /nfs/dbraw/zinc/93/65/92/1381936592.db2.gz HYGSFEDBDAYTKW-LJQANCHMSA-N 2 1 347.547 3.070 20 0 EGADMP C[N@@H+](CC(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1)C1CCC1 ZINC001159997502 1381964154 /nfs/dbraw/zinc/96/41/54/1381964154.db2.gz PCNXRUJTQGLIKD-UHFFFAOYSA-N 2 1 345.531 3.064 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169229 1382022950 /nfs/dbraw/zinc/02/29/50/1382022950.db2.gz MHKOEXGUOFRMHK-VQTJNVASSA-N 2 1 349.563 3.291 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001160169229 1382022956 /nfs/dbraw/zinc/02/29/56/1382022956.db2.gz MHKOEXGUOFRMHK-VQTJNVASSA-N 2 1 349.563 3.291 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001160169229 1382022961 /nfs/dbraw/zinc/02/29/61/1382022961.db2.gz MHKOEXGUOFRMHK-VQTJNVASSA-N 2 1 349.563 3.291 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160273400 1382058487 /nfs/dbraw/zinc/05/84/87/1382058487.db2.gz LUBRTBVFQXDKJA-ROUUACIJSA-N 2 1 331.504 3.026 20 0 EGADMP C[NH+](C)C1(C(=O)NCCC2=CC[N@@H+](CCCC(C)(C)C)CC2)CCC1 ZINC001160360135 1382082012 /nfs/dbraw/zinc/08/20/12/1382082012.db2.gz JSSAOZKHGZLFLF-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCCC1=CC[N@@H+](CCC2CCCC2)CC1)C1CC1 ZINC001160367971 1382084578 /nfs/dbraw/zinc/08/45/78/1382084578.db2.gz WSSXZLQBWCOLHH-FQEVSTJZSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CCCC2CCC2)CC1 ZINC001160501112 1382125249 /nfs/dbraw/zinc/12/52/49/1382125249.db2.gz XBQVRGITTSEBLT-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](CCCC2CCC2)CC1 ZINC001160501112 1382125251 /nfs/dbraw/zinc/12/52/51/1382125251.db2.gz XBQVRGITTSEBLT-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001160501112 1382125256 /nfs/dbraw/zinc/12/52/56/1382125256.db2.gz XBQVRGITTSEBLT-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001160559368 1382141946 /nfs/dbraw/zinc/14/19/46/1382141946.db2.gz GZFONEUCAJVSQZ-UHFFFAOYSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[NH+]1CC=C(CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001160559368 1382141948 /nfs/dbraw/zinc/14/19/48/1382141948.db2.gz GZFONEUCAJVSQZ-UHFFFAOYSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[NH+]1CC=C(CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001160559368 1382141952 /nfs/dbraw/zinc/14/19/52/1382141952.db2.gz GZFONEUCAJVSQZ-UHFFFAOYSA-N 2 1 335.536 3.186 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCC1=CC[N@H+](C[C@H](C)CC(C)C)CC1 ZINC001160676609 1382167930 /nfs/dbraw/zinc/16/79/30/1382167930.db2.gz AQEOXGIQNSWMHZ-QGZVFWFLSA-N 2 1 346.519 3.012 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCC1=CC[N@@H+](C[C@H](C)CC(C)C)CC1 ZINC001160676609 1382167937 /nfs/dbraw/zinc/16/79/37/1382167937.db2.gz AQEOXGIQNSWMHZ-QGZVFWFLSA-N 2 1 346.519 3.012 20 0 EGADMP CCCC[C@H]([NH2+]C)C(=O)N(C)[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001160957954 1382250828 /nfs/dbraw/zinc/25/08/28/1382250828.db2.gz SPKMPGYCSASVQZ-IHPCNDPISA-N 2 1 345.531 3.134 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC2=CC[NH+](C[C@@H](C)CC)CC2)C1 ZINC001160986053 1382262017 /nfs/dbraw/zinc/26/20/17/1382262017.db2.gz LLZYSKTWUVRXLG-AZUAARDMSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC2=CC[N@H+](C[C@@H](C)CC)CC2)C1 ZINC001160986053 1382262019 /nfs/dbraw/zinc/26/20/19/1382262019.db2.gz LLZYSKTWUVRXLG-AZUAARDMSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC2=CC[N@@H+](C[C@@H](C)CC)CC2)C1 ZINC001160986053 1382262022 /nfs/dbraw/zinc/26/20/22/1382262022.db2.gz LLZYSKTWUVRXLG-AZUAARDMSA-N 2 1 349.563 3.293 20 0 EGADMP C[NH+](C)CCCC(=O)NCCC1=CC[N@@H+](CCC2CCCCC2)CC1 ZINC001161029684 1382277771 /nfs/dbraw/zinc/27/77/71/1382277771.db2.gz ROGDNVTXESVPSG-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP C[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CCC3CCCC3)CC2)CC1 ZINC001161084093 1382292840 /nfs/dbraw/zinc/29/28/40/1382292840.db2.gz GKTBPZUNDPGNAQ-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001161204967 1382339058 /nfs/dbraw/zinc/33/90/58/1382339058.db2.gz AMOGBKNGFZOFGR-SFFCAUCYSA-N 2 1 347.547 3.356 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001161204967 1382339062 /nfs/dbraw/zinc/33/90/62/1382339062.db2.gz AMOGBKNGFZOFGR-SFFCAUCYSA-N 2 1 347.547 3.356 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001161204969 1382339305 /nfs/dbraw/zinc/33/93/05/1382339305.db2.gz AMOGBKNGFZOFGR-UEKDZROGSA-N 2 1 347.547 3.356 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001161204969 1382339310 /nfs/dbraw/zinc/33/93/10/1382339310.db2.gz AMOGBKNGFZOFGR-UEKDZROGSA-N 2 1 347.547 3.356 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NCCC2=CC[NH+](CC3CCCC3)CC2)C1 ZINC001161219664 1382346607 /nfs/dbraw/zinc/34/66/07/1382346607.db2.gz KGQTUFRYFVDKQC-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP CC1(C)CC[NH+](CC(=O)NCCC2=CC[N@H+](CC3CCCC3)CC2)C1 ZINC001161219664 1382346612 /nfs/dbraw/zinc/34/66/12/1382346612.db2.gz KGQTUFRYFVDKQC-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP CC1(C)CC[NH+](CC(=O)NCCC2=CC[N@@H+](CC3CCCC3)CC2)C1 ZINC001161219664 1382346620 /nfs/dbraw/zinc/34/66/20/1382346620.db2.gz KGQTUFRYFVDKQC-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001161226343 1382348114 /nfs/dbraw/zinc/34/81/14/1382348114.db2.gz DPNDZDWTIKVFLH-UHFFFAOYSA-N 2 1 345.531 3.280 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]CCC(C)(C)C ZINC001161519125 1382429457 /nfs/dbraw/zinc/42/94/57/1382429457.db2.gz ZCJXJHOJMZVLOI-UHFFFAOYSA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001161644612 1382468199 /nfs/dbraw/zinc/46/81/99/1382468199.db2.gz PZRRPWDWVBIHKX-IBGZPJMESA-N 2 1 335.536 3.093 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001161645345 1382468371 /nfs/dbraw/zinc/46/83/71/1382468371.db2.gz DFUXSOOUNZJTIW-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001161645345 1382468364 /nfs/dbraw/zinc/46/83/64/1382468364.db2.gz DFUXSOOUNZJTIW-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001161645345 1382468368 /nfs/dbraw/zinc/46/83/68/1382468368.db2.gz DFUXSOOUNZJTIW-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC001294614227 1382479857 /nfs/dbraw/zinc/47/98/57/1382479857.db2.gz KAERTDLMJIRLIU-AZUAARDMSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001294614227 1382479860 /nfs/dbraw/zinc/47/98/60/1382479860.db2.gz KAERTDLMJIRLIU-AZUAARDMSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001294614227 1382479865 /nfs/dbraw/zinc/47/98/65/1382479865.db2.gz KAERTDLMJIRLIU-AZUAARDMSA-N 2 1 349.563 3.362 20 0 EGADMP c1cn(CCCNc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)cn1 ZINC001161684664 1382480101 /nfs/dbraw/zinc/48/01/01/1382480101.db2.gz IHKFYWQZEZOXHB-QGZVFWFLSA-N 2 1 338.459 3.050 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](CCC2CCCC2)CC1 ZINC001161749736 1382494250 /nfs/dbraw/zinc/49/42/50/1382494250.db2.gz IULUMQFGPOPPNA-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCC[NH+](C)CCC(=O)NCCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001161749736 1382494252 /nfs/dbraw/zinc/49/42/52/1382494252.db2.gz IULUMQFGPOPPNA-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CCC2CCCC2)CC1 ZINC001161749736 1382494253 /nfs/dbraw/zinc/49/42/53/1382494253.db2.gz IULUMQFGPOPPNA-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP Cc1nc(N[C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)cc(N(C)C)[nH+]1 ZINC001161821411 1382520542 /nfs/dbraw/zinc/52/05/42/1382520542.db2.gz XORKCRMMPPQSIM-LJQANCHMSA-N 2 1 343.450 3.143 20 0 EGADMP O=C(C[NH+]1CCCC1)NCCC1=CC[N@@H+](CCC2CCCCC2)CC1 ZINC001161878754 1382538066 /nfs/dbraw/zinc/53/80/66/1382538066.db2.gz AFCXYKRPVWCKDV-UHFFFAOYSA-N 2 1 347.547 3.191 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161925176 1382555562 /nfs/dbraw/zinc/55/55/62/1382555562.db2.gz YLHZJJXLDQFLOF-HDICACEKSA-N 2 1 349.563 3.434 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161925176 1382555565 /nfs/dbraw/zinc/55/55/65/1382555565.db2.gz YLHZJJXLDQFLOF-HDICACEKSA-N 2 1 349.563 3.434 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161925176 1382555567 /nfs/dbraw/zinc/55/55/67/1382555567.db2.gz YLHZJJXLDQFLOF-HDICACEKSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(NC[C@H]2C[NH2+]CC(C)(C)O2)nc1 ZINC001161956883 1382570902 /nfs/dbraw/zinc/57/09/02/1382570902.db2.gz UPLFUXINPDSQAN-MSOLQXFVSA-N 2 1 346.519 3.198 20 0 EGADMP [NH3+]C1CCN(c2cc[nH+]c(N[C@H]3CCCc4cc(F)ccc43)n2)CC1 ZINC001162971640 1382933244 /nfs/dbraw/zinc/93/32/44/1382933244.db2.gz NVTIBPCKYLTOHE-KRWDZBQOSA-N 2 1 341.434 3.033 20 0 EGADMP Cc1ccc2c(c1)[C@@H](Nc1[nH+]cnc3[nH]ccc31)CC21CC[NH2+]CC1 ZINC001163029415 1382951066 /nfs/dbraw/zinc/95/10/66/1382951066.db2.gz CGJOMRADVDNQLH-KRWDZBQOSA-N 2 1 333.439 3.444 20 0 EGADMP c1cc2n(c1)C[C@@H](CCNc1[nH+]ccc3c4c([nH]c31)CCCC4)C[NH2+]C2 ZINC001163058290 1382957566 /nfs/dbraw/zinc/95/75/66/1382957566.db2.gz XMZVIGBSRVHXSS-HNNXBMFYSA-N 2 1 349.482 3.465 20 0 EGADMP C[N@@H+](CCC(=O)NCCC[NH2+]Cc1cccc(F)c1)C1CCCCC1 ZINC001163275227 1383010639 /nfs/dbraw/zinc/01/06/39/1383010639.db2.gz UYPOVAHOACNWMX-UHFFFAOYSA-N 2 1 349.494 3.076 20 0 EGADMP Cc1[nH+]c2ccc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)cc2n1C(C)C ZINC001163283102 1383012844 /nfs/dbraw/zinc/01/28/44/1383012844.db2.gz DRJXFVGZCDWMTN-JXFKEZNVSA-N 2 1 342.487 3.496 20 0 EGADMP CN(CCC[NH+](C)C)c1[nH+]cnc2c1ccn2Cc1cccc(F)c1 ZINC001163595528 1383085486 /nfs/dbraw/zinc/08/54/86/1383085486.db2.gz IYVVUSHEQPIUHR-UHFFFAOYSA-N 2 1 341.434 3.007 20 0 EGADMP Cc1c(C)n(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c2ccc(C[NH3+])cc12 ZINC001163761475 1383119130 /nfs/dbraw/zinc/11/91/30/1383119130.db2.gz OYJDURFCONHOLQ-UHFFFAOYSA-N 3 1 345.450 3.041 20 0 EGADMP C[C@]1(C[NH3+])CCCN(c2[nH+]cnc3c2ccn3Cc2ccccc2)CC1 ZINC001164246781 1383171005 /nfs/dbraw/zinc/17/10/05/1383171005.db2.gz CNQGQPQRXQAIAE-NRFANRHFSA-N 2 1 349.482 3.435 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@H](C)c2ccccc2C)C1 ZINC001164449336 1383187919 /nfs/dbraw/zinc/18/79/19/1383187919.db2.gz IARKXUYAMMKWJA-RTBURBONSA-N 2 1 345.531 3.274 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164515111 1383195282 /nfs/dbraw/zinc/19/52/82/1383195282.db2.gz VSZKCLHIBIFXIT-GOSISDBHSA-N 2 1 337.552 3.172 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC1(C[NH2+]C[C@@H](C)CC)CC1 ZINC001164578762 1383201498 /nfs/dbraw/zinc/20/14/98/1383201498.db2.gz QLJQYAQTZAAUAW-IRXDYDNUSA-N 2 1 348.535 3.319 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-n2ccnc2[C@@H]2CCC[NH2+]C2)nc1 ZINC001165144282 1383236659 /nfs/dbraw/zinc/23/66/59/1383236659.db2.gz QSLGXGGHYVFZLF-QZTJIDSGSA-N 2 1 339.487 3.281 20 0 EGADMP [NH3+]C1CC2(C1)CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)CC2 ZINC001165243255 1383256606 /nfs/dbraw/zinc/25/66/06/1383256606.db2.gz IERLESNQGLTZDQ-UHFFFAOYSA-N 2 1 347.466 3.187 20 0 EGADMP C[C@H]([NH3+])c1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001165385755 1383284092 /nfs/dbraw/zinc/28/40/92/1383284092.db2.gz XLLVNBTXDHOJGV-INIZCTEOSA-N 2 1 325.456 3.151 20 0 EGADMP [NH3+][C@H]1CCc2c1cccc2NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001165398417 1383285949 /nfs/dbraw/zinc/28/59/49/1383285949.db2.gz KCQIGTOKRDTORO-FQEVSTJZSA-N 2 1 337.467 3.077 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001165765126 1383342223 /nfs/dbraw/zinc/34/22/23/1383342223.db2.gz YZHMDGXMJHMTTA-IBGZPJMESA-N 2 1 347.547 3.237 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001166626589 1383449760 /nfs/dbraw/zinc/44/97/60/1383449760.db2.gz HIHXQWWFHCYYMK-QGZVFWFLSA-N 2 1 343.515 3.034 20 0 EGADMP CC(C)(C)CCC[NH2+]CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001166686668 1383460448 /nfs/dbraw/zinc/46/04/48/1383460448.db2.gz BOLAAHDWVKMKQS-IBGZPJMESA-N 2 1 343.531 3.121 20 0 EGADMP CCC/C=C/CC[NH2+]CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001166687201 1383460742 /nfs/dbraw/zinc/46/07/42/1383460742.db2.gz IMAUOPJWGHSTIA-UCFODXPJSA-N 2 1 341.515 3.041 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCCC2(C[NH2+]CC3=CCCCC3)CC2)CC[N@H+]1C ZINC001166843486 1383486500 /nfs/dbraw/zinc/48/65/00/1383486500.db2.gz UZRYOULOLQRQHG-HKUYNNGSSA-N 2 1 347.547 3.093 20 0 EGADMP C[C@@H]([NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1)c1ccccc1 ZINC001167224458 1383570039 /nfs/dbraw/zinc/57/00/39/1383570039.db2.gz KPTJKOGLQMQNED-ZWKOTPCHSA-N 2 1 343.515 3.108 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001167237229 1383572458 /nfs/dbraw/zinc/57/24/58/1383572458.db2.gz XKPZMFCXLWQRKX-PKOBYXMFSA-N 2 1 349.563 3.031 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167425999 1383631374 /nfs/dbraw/zinc/63/13/74/1383631374.db2.gz NMDVHDGNCFGHBY-FKDQEEMOSA-N 2 1 347.547 3.236 20 0 EGADMP C[N@@H+](CCc1ccccc1Br)C[C@H]1CCC[NH+](C)C1 ZINC001167477103 1383645917 /nfs/dbraw/zinc/64/59/17/1383645917.db2.gz AWMRARDGERHOBJ-AWEZNQCLSA-N 2 1 325.294 3.265 20 0 EGADMP C[NH+](CCc1ccccc1Br)C[C@H]1CCC[N@H+](C)C1 ZINC001167477103 1383645923 /nfs/dbraw/zinc/64/59/23/1383645923.db2.gz AWMRARDGERHOBJ-AWEZNQCLSA-N 2 1 325.294 3.265 20 0 EGADMP C[NH+](CCc1ccccc1Br)C[C@H]1CCC[N@@H+](C)C1 ZINC001167477103 1383645928 /nfs/dbraw/zinc/64/59/28/1383645928.db2.gz AWMRARDGERHOBJ-AWEZNQCLSA-N 2 1 325.294 3.265 20 0 EGADMP Cc1cccc([C@@H](O)C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001167505258 1383652817 /nfs/dbraw/zinc/65/28/17/1383652817.db2.gz RWBLESVPFZOFEN-IRLDBZIGSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1cccc([C@@H](O)C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001167505258 1383652824 /nfs/dbraw/zinc/65/28/24/1383652824.db2.gz RWBLESVPFZOFEN-IRLDBZIGSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1cccc([C@@H](O)C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001167505258 1383652827 /nfs/dbraw/zinc/65/28/27/1383652827.db2.gz RWBLESVPFZOFEN-IRLDBZIGSA-N 2 1 338.495 3.482 20 0 EGADMP Cc1cccc([C@@H](O)C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001167505258 1383652828 /nfs/dbraw/zinc/65/28/28/1383652828.db2.gz RWBLESVPFZOFEN-IRLDBZIGSA-N 2 1 338.495 3.482 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167627011 1383692487 /nfs/dbraw/zinc/69/24/87/1383692487.db2.gz ISCMVFWSDYEOLR-ROUUACIJSA-N 2 1 325.541 3.027 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC001167634287 1383694258 /nfs/dbraw/zinc/69/42/58/1383694258.db2.gz HMBDCIFZZLKELW-IEBWSBKVSA-N 2 1 331.504 3.106 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001167636326 1383694701 /nfs/dbraw/zinc/69/47/01/1383694701.db2.gz SKIYWOGYDSIULN-AZUAARDMSA-N 2 1 345.531 3.415 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCCC2(C[NH2+]CCCC(C)(C)C)CC2)C1 ZINC001167737210 1383725863 /nfs/dbraw/zinc/72/58/63/1383725863.db2.gz OOSIHNRBHWRPEK-QGZVFWFLSA-N 2 1 337.552 3.031 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001167812829 1383746255 /nfs/dbraw/zinc/74/62/55/1383746255.db2.gz WWRLKZQRRRXGEJ-UHFFFAOYSA-N 2 1 337.552 3.031 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)N(c1cc(OC)ccn1)C1CC[NH2+]CC1 ZINC001167835867 1383753875 /nfs/dbraw/zinc/75/38/75/1383753875.db2.gz UYPQXJVRLFNBNW-QGZVFWFLSA-N 2 1 348.535 3.159 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)N1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001167835883 1383753950 /nfs/dbraw/zinc/75/39/50/1383753950.db2.gz VIQKNXKTCAXAJC-SFHVURJKSA-N 2 1 339.568 3.072 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(N2CCC(OC)CC2)CC1 ZINC001167835883 1383753953 /nfs/dbraw/zinc/75/39/53/1383753953.db2.gz VIQKNXKTCAXAJC-SFHVURJKSA-N 2 1 339.568 3.072 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001167838699 1383756129 /nfs/dbraw/zinc/75/61/29/1383756129.db2.gz WDLZHBXUJJDLIH-OWCLPIDISA-N 2 1 345.503 3.044 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001167838699 1383756132 /nfs/dbraw/zinc/75/61/32/1383756132.db2.gz WDLZHBXUJJDLIH-OWCLPIDISA-N 2 1 345.503 3.044 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN2CCc3ccccc3[C@@H]2C1 ZINC001167842905 1383757154 /nfs/dbraw/zinc/75/71/54/1383757154.db2.gz ZPEVLBNXQMEFIS-NQIIRXRSSA-N 2 1 329.532 3.412 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167940912 1383774277 /nfs/dbraw/zinc/77/42/77/1383774277.db2.gz YZTBJZKILSREJW-VSZNYVQBSA-N 2 1 330.472 3.133 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167962179 1383780605 /nfs/dbraw/zinc/78/06/05/1383780605.db2.gz VEJYTGNYTNNSNZ-MEKRXLCPSA-N 3 1 333.564 3.349 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167962179 1383780609 /nfs/dbraw/zinc/78/06/09/1383780609.db2.gz VEJYTGNYTNNSNZ-MEKRXLCPSA-N 3 1 333.564 3.349 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167962179 1383780613 /nfs/dbraw/zinc/78/06/13/1383780613.db2.gz VEJYTGNYTNNSNZ-MEKRXLCPSA-N 3 1 333.564 3.349 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167962179 1383780614 /nfs/dbraw/zinc/78/06/14/1383780614.db2.gz VEJYTGNYTNNSNZ-MEKRXLCPSA-N 3 1 333.564 3.349 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167962179 1383780618 /nfs/dbraw/zinc/78/06/18/1383780618.db2.gz VEJYTGNYTNNSNZ-MEKRXLCPSA-N 3 1 333.564 3.349 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167962179 1383780621 /nfs/dbraw/zinc/78/06/21/1383780621.db2.gz VEJYTGNYTNNSNZ-MEKRXLCPSA-N 3 1 333.564 3.349 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167962179 1383780624 /nfs/dbraw/zinc/78/06/24/1383780624.db2.gz VEJYTGNYTNNSNZ-MEKRXLCPSA-N 3 1 333.564 3.349 20 0 EGADMP C[NH+](C)Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167968343 1383781108 /nfs/dbraw/zinc/78/11/08/1383781108.db2.gz PVTITIPUPIZBFC-FRIKZZABSA-N 3 1 341.543 3.286 20 0 EGADMP C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@@]1(O)C(F)(F)F ZINC001167984811 1383787869 /nfs/dbraw/zinc/78/78/69/1383787869.db2.gz SFNYKKKTQPMFKQ-JDACHINLSA-N 2 1 346.437 3.027 20 0 EGADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@@]1(O)C(F)(F)F ZINC001167984811 1383787872 /nfs/dbraw/zinc/78/78/72/1383787872.db2.gz SFNYKKKTQPMFKQ-JDACHINLSA-N 2 1 346.437 3.027 20 0 EGADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@@]1(O)C(F)(F)F ZINC001167984811 1383787873 /nfs/dbraw/zinc/78/78/73/1383787873.db2.gz SFNYKKKTQPMFKQ-JDACHINLSA-N 2 1 346.437 3.027 20 0 EGADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@@]1(O)C(F)(F)F ZINC001167984811 1383787874 /nfs/dbraw/zinc/78/78/74/1383787874.db2.gz SFNYKKKTQPMFKQ-JDACHINLSA-N 2 1 346.437 3.027 20 0 EGADMP C[N@H+](Cc1ccc2c(c1)OCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995154 1383791927 /nfs/dbraw/zinc/79/19/27/1383791927.db2.gz XXBKMMRSCPEHKT-JWTNVVGKSA-N 2 1 328.456 3.253 20 0 EGADMP C[N@@H+](Cc1ccc2c(c1)OCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995154 1383791931 /nfs/dbraw/zinc/79/19/31/1383791931.db2.gz XXBKMMRSCPEHKT-JWTNVVGKSA-N 2 1 328.456 3.253 20 0 EGADMP C[NH+](Cc1ccc2c(c1)OCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995154 1383791934 /nfs/dbraw/zinc/79/19/34/1383791934.db2.gz XXBKMMRSCPEHKT-JWTNVVGKSA-N 2 1 328.456 3.253 20 0 EGADMP C[NH+](Cc1ccc2c(c1)OCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995154 1383791936 /nfs/dbraw/zinc/79/19/36/1383791936.db2.gz XXBKMMRSCPEHKT-JWTNVVGKSA-N 2 1 328.456 3.253 20 0 EGADMP c1cnc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)nc1 ZINC001167996136 1383792103 /nfs/dbraw/zinc/79/21/03/1383792103.db2.gz XFRJRKLUSJJTIH-DFNIBXOVSA-N 2 1 326.488 3.061 20 0 EGADMP Cc1cnccc1O[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168001350 1383792477 /nfs/dbraw/zinc/79/24/77/1383792477.db2.gz ATHRGXOEISENLO-XNMUZJSGSA-N 2 1 341.499 3.249 20 0 EGADMP Cc1cnccc1O[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168001350 1383792481 /nfs/dbraw/zinc/79/24/81/1383792481.db2.gz ATHRGXOEISENLO-XNMUZJSGSA-N 2 1 341.499 3.249 20 0 EGADMP Cc1cnccc1O[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168001350 1383792486 /nfs/dbraw/zinc/79/24/86/1383792486.db2.gz ATHRGXOEISENLO-XNMUZJSGSA-N 2 1 341.499 3.249 20 0 EGADMP Cc1cccnc1O[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168001934 1383793366 /nfs/dbraw/zinc/79/33/66/1383793366.db2.gz KYPXBKICTXVKFK-JIRNRHONSA-N 2 1 341.499 3.249 20 0 EGADMP Cc1cccnc1O[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168001934 1383793369 /nfs/dbraw/zinc/79/33/69/1383793369.db2.gz KYPXBKICTXVKFK-JIRNRHONSA-N 2 1 341.499 3.249 20 0 EGADMP Cc1cccnc1O[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168001934 1383793371 /nfs/dbraw/zinc/79/33/71/1383793371.db2.gz KYPXBKICTXVKFK-JIRNRHONSA-N 2 1 341.499 3.249 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCN2CCCCC2=O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168004999 1383794289 /nfs/dbraw/zinc/79/42/89/1383794289.db2.gz DHFGDWMNLVOHGZ-OPVJXMOQSA-N 2 1 343.515 3.030 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168025917 1383799184 /nfs/dbraw/zinc/79/91/84/1383799184.db2.gz KOOLLSHKDLRWPI-LHDHZVESSA-N 2 1 344.499 3.359 20 0 EGADMP CCCC[C@H]([NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)C(N)=O ZINC001168034181 1383801468 /nfs/dbraw/zinc/80/14/68/1383801468.db2.gz OFDONGZXJBAAHN-MDZRGWNJSA-N 2 1 331.504 3.062 20 0 EGADMP C[C@@H]1CC([N@@H+]2C[C@H]3[C@H](C2)CCCN3C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056637 1383805408 /nfs/dbraw/zinc/80/54/08/1383805408.db2.gz HEVYBKKAMWHBGH-VFSLUADLSA-N 2 1 341.543 3.454 20 0 EGADMP CCOC(=O)[C@H]1CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056808 1383805964 /nfs/dbraw/zinc/80/59/64/1383805964.db2.gz IRRRZGSTSZRXQI-LNLFQRSKSA-N 2 1 344.499 3.313 20 0 EGADMP CC[N@H+]1CCN([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168063369 1383807867 /nfs/dbraw/zinc/80/78/67/1383807867.db2.gz AMABMBBWWJOCGZ-RCLSDMTESA-N 2 1 329.532 3.454 20 0 EGADMP CC[NH+]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168063369 1383807872 /nfs/dbraw/zinc/80/78/72/1383807872.db2.gz AMABMBBWWJOCGZ-RCLSDMTESA-N 2 1 329.532 3.454 20 0 EGADMP CC[NH+]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168063369 1383807876 /nfs/dbraw/zinc/80/78/76/1383807876.db2.gz AMABMBBWWJOCGZ-RCLSDMTESA-N 2 1 329.532 3.454 20 0 EGADMP C[C@@H]1CC(N2CCC[C@@H]3C[N@@H+](C)C[C@H]32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065703 1383808325 /nfs/dbraw/zinc/80/83/25/1383808325.db2.gz XSWMHSXDDZQZHE-RMEPHLEKSA-N 2 1 341.543 3.454 20 0 EGADMP C[NH+](C)C1CCC([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168312295 1383870799 /nfs/dbraw/zinc/87/07/99/1383870799.db2.gz OUEXYFWZEXSBSH-CSDCYZPHSA-N 3 1 330.520 3.026 20 0 EGADMP C[NH+](C)C1CCC([N@@H+]2CCc3nc(Br)sc3C2)CC1 ZINC001168324364 1383873217 /nfs/dbraw/zinc/87/32/17/1383873217.db2.gz MWHCHYRWVLWBKZ-UHFFFAOYSA-N 2 1 344.322 3.137 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCc3nc(Br)sc3C2)CC1 ZINC001168324364 1383873219 /nfs/dbraw/zinc/87/32/19/1383873219.db2.gz MWHCHYRWVLWBKZ-UHFFFAOYSA-N 2 1 344.322 3.137 20 0 EGADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2C2CCC([NH+](C)C)CC2)c1 ZINC001168329708 1383875198 /nfs/dbraw/zinc/87/51/98/1383875198.db2.gz DLLMYXZYXCHYCC-CTWPCTMYSA-N 2 1 330.472 3.483 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC001168330210 1383875242 /nfs/dbraw/zinc/87/52/42/1383875242.db2.gz NHCATPWUHYDNAS-RJYAGPCLSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC1(C[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001168344408 1383879084 /nfs/dbraw/zinc/87/90/84/1383879084.db2.gz BDFAFTQGDWJTCM-MRXNPFEDSA-N 2 1 349.494 3.103 20 0 EGADMP CCOC(=O)CC[N@@H+](Cc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168377986 1383889225 /nfs/dbraw/zinc/88/92/25/1383889225.db2.gz IWYYYIUVORRCFL-UHFFFAOYSA-N 2 1 344.499 3.316 20 0 EGADMP Cc1ncc(CNc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)cn1 ZINC001168386919 1383891660 /nfs/dbraw/zinc/89/16/60/1383891660.db2.gz JCMMOKQMJPETPY-KRWDZBQOSA-N 2 1 336.443 3.061 20 0 EGADMP COc1ccc([C@@H]2C[C@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCO2)cc1 ZINC001168591081 1383943879 /nfs/dbraw/zinc/94/38/79/1383943879.db2.gz SLUJGSDNKRSCBJ-NUABRCLCSA-N 2 1 330.472 3.130 20 0 EGADMP CCC/C=C\CC[NH2+]CCCNC(=O)C[N@H+](C)CCCCCC ZINC001168594812 1383944428 /nfs/dbraw/zinc/94/44/28/1383944428.db2.gz ALEGSCZTAJMFIX-NTMALXAHSA-N 2 1 325.541 3.341 20 0 EGADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168705263 1383974523 /nfs/dbraw/zinc/97/45/23/1383974523.db2.gz UAIZWPHIFUXOAK-OAHLLOKOSA-N 3 1 337.939 3.283 20 0 EGADMP [NH3+]C1(Cc2ccccn2)CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168704376 1383974730 /nfs/dbraw/zinc/97/47/30/1383974730.db2.gz FXDXJBOUMBGJEN-KRWDZBQOSA-N 2 1 341.886 3.238 20 0 EGADMP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NCCC1=CCCCC1 ZINC001168770846 1383998773 /nfs/dbraw/zinc/99/87/73/1383998773.db2.gz NRDXSKDNVFGKFJ-UHFFFAOYSA-N 2 1 329.492 3.263 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)C[C@H]1C ZINC001308182881 1384106438 /nfs/dbraw/zinc/10/64/38/1384106438.db2.gz YQWSFRUEEYSIDJ-ZJPYXAASSA-N 2 1 335.561 3.451 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2sc(N3CCCCC3)nc2C)CC1 ZINC001308184278 1384106645 /nfs/dbraw/zinc/10/66/45/1384106645.db2.gz DDVZBVPDMWYMEI-UHFFFAOYSA-N 2 1 336.549 3.406 20 0 EGADMP CC(C)C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)NC(=O)OC(C)(C)C ZINC001169108696 1384108364 /nfs/dbraw/zinc/10/83/64/1384108364.db2.gz VPYBDEAPGDXIDB-WCXIOVBPSA-N 2 1 339.524 3.141 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH3+])(c3ccc(Cl)cc3)CC1)C2 ZINC001169119582 1384109780 /nfs/dbraw/zinc/10/97/80/1384109780.db2.gz UYYPCHIGCYBVFR-PIIMJCKOSA-N 2 1 333.907 3.215 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1cc(Br)cs1)C2 ZINC001169124356 1384110196 /nfs/dbraw/zinc/11/01/96/1384110196.db2.gz QFDQBMKLKUYWOH-CLLJXQQHSA-N 2 1 329.307 3.268 20 0 EGADMP COC(=O)c1ccc(C2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001169144658 1384113925 /nfs/dbraw/zinc/11/39/25/1384113925.db2.gz LLZWTKKDDXTBNF-PMOLBWCYSA-N 2 1 342.483 3.278 20 0 EGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169160014 1384117267 /nfs/dbraw/zinc/11/72/67/1384117267.db2.gz AEXGEMIEMAQCGE-GEALJGNFSA-N 2 1 331.479 3.130 20 0 EGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169160014 1384117268 /nfs/dbraw/zinc/11/72/68/1384117268.db2.gz AEXGEMIEMAQCGE-GEALJGNFSA-N 2 1 331.479 3.130 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](C(=O)OCc3ccccc3)C1)C2 ZINC001169160920 1384117606 /nfs/dbraw/zinc/11/76/06/1384117606.db2.gz MSAJJHCQJXCFHP-ZRNYENFQSA-N 2 1 342.483 3.067 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](C(=O)OCc3ccccc3)C1)C2 ZINC001169160920 1384117608 /nfs/dbraw/zinc/11/76/08/1384117608.db2.gz MSAJJHCQJXCFHP-ZRNYENFQSA-N 2 1 342.483 3.067 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](C(=O)OCc3ccccc3)C1)C2 ZINC001169160920 1384117609 /nfs/dbraw/zinc/11/76/09/1384117609.db2.gz MSAJJHCQJXCFHP-ZRNYENFQSA-N 2 1 342.483 3.067 20 0 EGADMP CCN1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241200 1384126559 /nfs/dbraw/zinc/12/65/59/1384126559.db2.gz JPFQXGJAOYJGRP-WGSAOQKQSA-N 2 1 333.495 3.382 20 0 EGADMP CC[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241200 1384126560 /nfs/dbraw/zinc/12/65/60/1384126560.db2.gz JPFQXGJAOYJGRP-WGSAOQKQSA-N 3 1 333.495 3.382 20 0 EGADMP CC[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241200 1384126561 /nfs/dbraw/zinc/12/65/61/1384126561.db2.gz JPFQXGJAOYJGRP-WGSAOQKQSA-N 3 1 333.495 3.382 20 0 EGADMP CCOc1cccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC001308488607 1384128604 /nfs/dbraw/zinc/12/86/04/1384128604.db2.gz OSZALCMWZAXEJF-PKOBYXMFSA-N 2 1 339.483 3.338 20 0 EGADMP CCOc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC001308488607 1384128606 /nfs/dbraw/zinc/12/86/06/1384128606.db2.gz OSZALCMWZAXEJF-PKOBYXMFSA-N 2 1 339.483 3.338 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169305476 1384134289 /nfs/dbraw/zinc/13/42/89/1384134289.db2.gz LHLSLYHRLNJKNL-UHFFFAOYSA-N 2 1 332.488 3.428 20 0 EGADMP CCC(CC)[N@@H+]([C@H](C)CC(=O)N(CC)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169452707 1384149573 /nfs/dbraw/zinc/14/95/73/1384149573.db2.gz QFCUXEVVECUYPE-JFIYKMOQSA-N 2 1 325.541 3.394 20 0 EGADMP CCCC[NH+](CCCC)CC[NH2+][C@H]1CCCN(C(=O)OCC)CC1 ZINC001169647806 1384168543 /nfs/dbraw/zinc/16/85/43/1384168543.db2.gz IHAMFWSUTSQRBR-SFHVURJKSA-N 2 1 341.540 3.489 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc(CC[NH3+])c3ncccc32)nc1 ZINC001169704669 1384175451 /nfs/dbraw/zinc/17/54/51/1384175451.db2.gz FCBZPGHMOHNNFJ-MRXNPFEDSA-N 2 1 349.482 3.296 20 0 EGADMP CC[C@H](Cc1ccc2c(c1)OCO2)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001170451192 1384322403 /nfs/dbraw/zinc/32/24/03/1384322403.db2.gz WZYDKFCNBGOMJY-MRXNPFEDSA-N 2 1 327.428 3.273 20 0 EGADMP CC(C)[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170794272 1384386923 /nfs/dbraw/zinc/38/69/23/1384386923.db2.gz CGKIDBPJDVRDIG-ROUUACIJSA-N 2 1 337.552 3.314 20 0 EGADMP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001170863992 1384400966 /nfs/dbraw/zinc/40/09/66/1384400966.db2.gz ZLMASDXBMNCTFA-QWFCFKBJSA-N 2 1 345.531 3.100 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH2+]CCC(C)(C)C)c1ccccc1 ZINC001170867530 1384401680 /nfs/dbraw/zinc/40/16/80/1384401680.db2.gz JRCRYKKOQHCICT-SFHVURJKSA-N 2 1 333.520 3.212 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc2ccccc2)CC[N@H+]1C ZINC001170877336 1384403352 /nfs/dbraw/zinc/40/33/52/1384403352.db2.gz BRVVPEANTUMAIZ-YZGWKJHDSA-N 2 1 345.531 3.182 20 0 EGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@H]1CCc3cccc(Cl)c3C1)CC2 ZINC001170935887 1384414447 /nfs/dbraw/zinc/41/44/47/1384414447.db2.gz LGTAIDGEAVIUFB-HNNXBMFYSA-N 2 1 347.890 3.327 20 0 EGADMP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001171120989 1384449808 /nfs/dbraw/zinc/44/98/08/1384449808.db2.gz QTTQKAPXVXECSF-RJCMGOLDSA-N 2 1 337.552 3.482 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC2CC2)C1 ZINC001171238600 1384476987 /nfs/dbraw/zinc/47/69/87/1384476987.db2.gz WJNRUSZMAWYVGY-HKUYNNGSSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171253689 1384479101 /nfs/dbraw/zinc/47/91/01/1384479101.db2.gz GTMHWLRBTWUHNO-KRWDZBQOSA-N 2 1 325.541 3.172 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171255039 1384479899 /nfs/dbraw/zinc/47/98/99/1384479899.db2.gz YONJLJQFRAUDOX-MRXNPFEDSA-N 2 1 337.552 3.172 20 0 EGADMP [NH3+]C1(c2cccnc2)CC[NH+]([C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171355156 1384500219 /nfs/dbraw/zinc/50/02/19/1384500219.db2.gz PNKONOPEIZVLMV-KRWDZBQOSA-N 2 1 343.421 3.167 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171538913 1384556353 /nfs/dbraw/zinc/55/63/53/1384556353.db2.gz PPWGQYAYDORALD-ROUUACIJSA-N 2 1 325.541 3.172 20 0 EGADMP Cc1ccc(CC[C@@H](C)[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001171675344 1384598953 /nfs/dbraw/zinc/59/89/53/1384598953.db2.gz PYHVDZXTCMOAGR-HLAWJBBLSA-N 2 1 329.532 3.026 20 0 EGADMP C[C@H]1C[C@@H](N2Cc3ccccc3C[C@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171741409 1384622377 /nfs/dbraw/zinc/62/23/77/1384622377.db2.gz PDIKGUOEDJVTHO-BULFRSBZSA-N 2 1 335.495 3.035 20 0 EGADMP CCCC[N@H+](CC)CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171866786 1384666144 /nfs/dbraw/zinc/66/61/44/1384666144.db2.gz OIRFKLLEIPSBMY-HXUWFJFHSA-N 2 1 345.531 3.393 20 0 EGADMP CCCC[N@@H+](CC)CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171866786 1384666147 /nfs/dbraw/zinc/66/61/47/1384666147.db2.gz OIRFKLLEIPSBMY-HXUWFJFHSA-N 2 1 345.531 3.393 20 0 EGADMP CC(C)(C)OC(=O)C1CCC(n2c[nH+]cc2C2CC[NH2+]CC2)CC1 ZINC001171930039 1384686398 /nfs/dbraw/zinc/68/63/98/1384686398.db2.gz NOISZBVFZLTMIV-UHFFFAOYSA-N 2 1 333.476 3.423 20 0 EGADMP CCOC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973145 1384699164 /nfs/dbraw/zinc/69/91/64/1384699164.db2.gz WMXDDHKHASTQMM-AEFFLSMTSA-N 2 1 332.488 3.361 20 0 EGADMP CC1(C)C[C@H]([NH2+]CCN2CCC[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171974573 1384700749 /nfs/dbraw/zinc/70/07/49/1384700749.db2.gz HPCBTUJTIHYVOY-WOJBJXKFSA-N 2 1 347.522 3.453 20 0 EGADMP C[NH+](C)[C@@H]1CCCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985529 1384703462 /nfs/dbraw/zinc/70/34/62/1384703462.db2.gz XRMDDHDBWIUWIS-VQTJNVASSA-N 2 1 329.532 3.456 20 0 EGADMP CC1(C)C[C@H]([NH+]2CCC(C)(C(N)=O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171985206 1384704215 /nfs/dbraw/zinc/70/42/15/1384704215.db2.gz TWMTVRSUYNPZTG-GOSISDBHSA-N 2 1 343.515 3.017 20 0 EGADMP CCOC(=O)[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171988039 1384705968 /nfs/dbraw/zinc/70/59/68/1384705968.db2.gz OCBXUXMPUBCQHV-MOPGFXCFSA-N 2 1 344.499 3.315 20 0 EGADMP CCOC(=O)[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171988039 1384705969 /nfs/dbraw/zinc/70/59/69/1384705969.db2.gz OCBXUXMPUBCQHV-MOPGFXCFSA-N 2 1 344.499 3.315 20 0 EGADMP CCOC(=O)[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171988039 1384705971 /nfs/dbraw/zinc/70/59/71/1384705971.db2.gz OCBXUXMPUBCQHV-MOPGFXCFSA-N 2 1 344.499 3.315 20 0 EGADMP OCC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC001172062691 1384714439 /nfs/dbraw/zinc/71/44/39/1384714439.db2.gz QQTINUSMNQUZOH-ACDBMABISA-N 2 1 328.500 3.324 20 0 EGADMP CC[N@H+]1CC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172064569 1384715511 /nfs/dbraw/zinc/71/55/11/1384715511.db2.gz COHTYDVQCZSXFF-MXEMCNAFSA-N 2 1 327.516 3.256 20 0 EGADMP CC[NH+]1CC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172064569 1384715513 /nfs/dbraw/zinc/71/55/13/1384715513.db2.gz COHTYDVQCZSXFF-MXEMCNAFSA-N 2 1 327.516 3.256 20 0 EGADMP CC[NH+]1CC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172064569 1384715514 /nfs/dbraw/zinc/71/55/14/1384715514.db2.gz COHTYDVQCZSXFF-MXEMCNAFSA-N 2 1 327.516 3.256 20 0 EGADMP Cc1ncncc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067983 1384716193 /nfs/dbraw/zinc/71/61/93/1384716193.db2.gz ILWDYUYBAQVYFH-WKCHPHFGSA-N 2 1 336.483 3.460 20 0 EGADMP Cc1ncncc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067983 1384716198 /nfs/dbraw/zinc/71/61/98/1384716198.db2.gz ILWDYUYBAQVYFH-WKCHPHFGSA-N 2 1 336.483 3.460 20 0 EGADMP CC1(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)OCCO1 ZINC001172065800 1384716374 /nfs/dbraw/zinc/71/63/74/1384716374.db2.gz RCWKVBAKEIFWOM-OWZKRDHZSA-N 2 1 344.499 3.315 20 0 EGADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2C[C@@H]4COC[C@@H]4C2)C3)cc1 ZINC001172069402 1384717582 /nfs/dbraw/zinc/71/75/82/1384717582.db2.gz PZUMUMRLEUMYHL-CZLMFIFXSA-N 2 1 326.484 3.150 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2C[C@@H]4COC[C@@H]4C2)C3)cc1 ZINC001172069402 1384717585 /nfs/dbraw/zinc/71/75/85/1384717585.db2.gz PZUMUMRLEUMYHL-CZLMFIFXSA-N 2 1 326.484 3.150 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2C[C@@H]4COC[C@@H]4C2)C3)cc1 ZINC001172069402 1384717588 /nfs/dbraw/zinc/71/75/88/1384717588.db2.gz PZUMUMRLEUMYHL-CZLMFIFXSA-N 2 1 326.484 3.150 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2C[C@@H]4COC[C@@H]4C2)C3)cc1 ZINC001172069402 1384717593 /nfs/dbraw/zinc/71/75/93/1384717593.db2.gz PZUMUMRLEUMYHL-CZLMFIFXSA-N 2 1 326.484 3.150 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172080101 1384721635 /nfs/dbraw/zinc/72/16/35/1384721635.db2.gz MGZVGPXGFBZWPO-OSYLJGHBSA-N 2 1 348.491 3.102 20 0 EGADMP c1ccc(CN2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2C[C@@H]4CCO[C@@H]4C2)C3)cc1 ZINC001172084329 1384722583 /nfs/dbraw/zinc/72/25/83/1384722583.db2.gz WOWLBPUSYBSPEE-WRTQPQOASA-N 2 1 326.484 3.293 20 0 EGADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2C[C@@H]4CCO[C@@H]4C2)C3)cc1 ZINC001172084329 1384722593 /nfs/dbraw/zinc/72/25/93/1384722593.db2.gz WOWLBPUSYBSPEE-WRTQPQOASA-N 2 1 326.484 3.293 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2C[C@@H]4CCO[C@@H]4C2)C3)cc1 ZINC001172084329 1384722597 /nfs/dbraw/zinc/72/25/97/1384722597.db2.gz WOWLBPUSYBSPEE-WRTQPQOASA-N 2 1 326.484 3.293 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2C[C@@H]4CCO[C@@H]4C2)C3)cc1 ZINC001172084329 1384722598 /nfs/dbraw/zinc/72/25/98/1384722598.db2.gz WOWLBPUSYBSPEE-WRTQPQOASA-N 2 1 326.484 3.293 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2C[C@@H]4CCO[C@@H]4C2)C3)cc1 ZINC001172084329 1384722604 /nfs/dbraw/zinc/72/26/04/1384722604.db2.gz WOWLBPUSYBSPEE-WRTQPQOASA-N 2 1 326.484 3.293 20 0 EGADMP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H](n1cc[nH+]c1CCC[NH3+])C2 ZINC001172087480 1384723788 /nfs/dbraw/zinc/72/37/88/1384723788.db2.gz FWCIWSFLGPBTLT-ZSHCYNCHSA-N 2 1 348.491 3.268 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(Cc3ccccn3)CCOCC1)C2 ZINC001172110145 1384729607 /nfs/dbraw/zinc/72/96/07/1384729607.db2.gz IEVGNHQCMTYOKW-OWZKRDHZSA-N 2 1 343.515 3.026 20 0 EGADMP COC(=O)c1ccc2c(c1)c(C[NH3+])cn2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172116284 1384732332 /nfs/dbraw/zinc/73/23/32/1384732332.db2.gz GQWCOAOEYDNYRM-BJWYYQGGSA-N 2 1 341.455 3.074 20 0 EGADMP Cc1ncc(Br)cc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172117110 1384732404 /nfs/dbraw/zinc/73/24/04/1384732404.db2.gz KIYAEIAYUDYUSL-MUJYYYPQSA-N 2 1 338.293 3.257 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001172121692 1384734989 /nfs/dbraw/zinc/73/49/89/1384734989.db2.gz SSMMOKGFTOFIDI-MEWRGDBZSA-N 2 1 349.519 3.085 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001172121692 1384734992 /nfs/dbraw/zinc/73/49/92/1384734992.db2.gz SSMMOKGFTOFIDI-MEWRGDBZSA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001172121692 1384734994 /nfs/dbraw/zinc/73/49/94/1384734994.db2.gz SSMMOKGFTOFIDI-MEWRGDBZSA-N 2 1 349.519 3.085 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001172121692 1384734996 /nfs/dbraw/zinc/73/49/96/1384734996.db2.gz SSMMOKGFTOFIDI-MEWRGDBZSA-N 2 1 349.519 3.085 20 0 EGADMP COc1cc(C[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc(OC)c1OC ZINC001172125028 1384735955 /nfs/dbraw/zinc/73/59/55/1384735955.db2.gz NUGOPXZGJLMCNB-FVQHAEBGSA-N 2 1 348.487 3.160 20 0 EGADMP COc1cc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc(OC)c1OC ZINC001172125028 1384735959 /nfs/dbraw/zinc/73/59/59/1384735959.db2.gz NUGOPXZGJLMCNB-FVQHAEBGSA-N 2 1 348.487 3.160 20 0 EGADMP COc1cc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(OC)c1OC ZINC001172125028 1384735960 /nfs/dbraw/zinc/73/59/60/1384735960.db2.gz NUGOPXZGJLMCNB-FVQHAEBGSA-N 2 1 348.487 3.160 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3ccccc3Cl)CC1)C2 ZINC001172126177 1384736013 /nfs/dbraw/zinc/73/60/13/1384736013.db2.gz UBLFXFASSYDZND-FVQHAEBGSA-N 2 1 333.907 3.477 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3ccccc3Cl)CC1)C2 ZINC001172126177 1384736017 /nfs/dbraw/zinc/73/60/17/1384736017.db2.gz UBLFXFASSYDZND-FVQHAEBGSA-N 2 1 333.907 3.477 20 0 EGADMP Cc1cccc(O[C@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172132817 1384737283 /nfs/dbraw/zinc/73/72/83/1384737283.db2.gz OLUAQFSAMGAVPU-RDGPPVDQSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1cccc(O[C@H]2CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172132817 1384737285 /nfs/dbraw/zinc/73/72/85/1384737285.db2.gz OLUAQFSAMGAVPU-RDGPPVDQSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1cccc(O[C@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172132817 1384737288 /nfs/dbraw/zinc/73/72/88/1384737288.db2.gz OLUAQFSAMGAVPU-RDGPPVDQSA-N 2 1 329.488 3.249 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCN(C)CC2)C[C@@H]1C ZINC001172357351 1384776915 /nfs/dbraw/zinc/77/69/15/1384776915.db2.gz CQQDEJPMVJZGAT-LVCYWYKZSA-N 2 1 329.532 3.348 20 0 EGADMP CC[C@@H](CC(C)C)[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001172398073 1384783858 /nfs/dbraw/zinc/78/38/58/1384783858.db2.gz NPHGKGYGKFYCIF-SFHVURJKSA-N 2 1 348.535 3.116 20 0 EGADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001172632870 1384823685 /nfs/dbraw/zinc/82/36/85/1384823685.db2.gz KCJPAIWMGKQJDS-QFBILLFUSA-N 2 1 336.520 3.447 20 0 EGADMP CO[C@@H]1CCC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)C1 ZINC001172939514 1384883893 /nfs/dbraw/zinc/88/38/93/1384883893.db2.gz RDIAIEASTGEIFN-PLACYPQZSA-N 2 1 328.500 3.316 20 0 EGADMP CO[C@@H]1CCC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)C1 ZINC001172939514 1384883897 /nfs/dbraw/zinc/88/38/97/1384883897.db2.gz RDIAIEASTGEIFN-PLACYPQZSA-N 2 1 328.500 3.316 20 0 EGADMP CO[C@@H]1CCC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)C1 ZINC001172939514 1384883903 /nfs/dbraw/zinc/88/39/03/1384883903.db2.gz RDIAIEASTGEIFN-PLACYPQZSA-N 2 1 328.500 3.316 20 0 EGADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001173059340 1384904403 /nfs/dbraw/zinc/90/44/03/1384904403.db2.gz VFZCJGHPFWLOHH-YVSFHVDLSA-N 2 1 339.524 3.237 20 0 EGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173067533 1384906021 /nfs/dbraw/zinc/90/60/21/1384906021.db2.gz BLMZWZZUCIJWQE-DOTOQJQBSA-N 2 1 339.524 3.191 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173067533 1384906025 /nfs/dbraw/zinc/90/60/25/1384906025.db2.gz BLMZWZZUCIJWQE-DOTOQJQBSA-N 2 1 339.524 3.191 20 0 EGADMP CCOC(=O)[C@H](CC(C)(C)F)[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173107841 1384916304 /nfs/dbraw/zinc/91/63/04/1384916304.db2.gz PGXMWKZTPAKRKH-GPANFISMSA-N 2 1 330.488 3.299 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](Oc3ccc(OC)cn3)C2)CC1 ZINC001173113851 1384917810 /nfs/dbraw/zinc/91/78/10/1384917810.db2.gz MYLRSEURXUWHMA-TVPLGVNVSA-N 2 1 347.503 3.196 20 0 EGADMP CCCC[C@@H](CC(C)C)[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001173255735 1384945356 /nfs/dbraw/zinc/94/53/56/1384945356.db2.gz MMQYATIIFMCDTB-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@@H]3CC[C@H](CC)C3)CC2)CC1 ZINC001173280637 1384950565 /nfs/dbraw/zinc/95/05/65/1384950565.db2.gz NBAXYMWVTPCOLN-QFBILLFUSA-N 2 1 336.520 3.305 20 0 EGADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001173608493 1384987219 /nfs/dbraw/zinc/98/72/19/1384987219.db2.gz UDDXCJNPVXQPOG-YORIJRMUSA-N 2 1 348.531 3.480 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001173619402 1384990278 /nfs/dbraw/zinc/99/02/78/1384990278.db2.gz ARSBBXCXTBEQDA-AQNXPRMDSA-N 2 1 344.499 3.220 20 0 EGADMP COC(=O)c1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC001173722662 1385009398 /nfs/dbraw/zinc/00/93/98/1385009398.db2.gz UMNJPFRAHPRWAE-CRAIPNDOSA-N 2 1 330.472 3.011 20 0 EGADMP COC(=O)c1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC001173722662 1385009400 /nfs/dbraw/zinc/00/94/00/1385009400.db2.gz UMNJPFRAHPRWAE-CRAIPNDOSA-N 2 1 330.472 3.011 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC001173721096 1385009409 /nfs/dbraw/zinc/00/94/09/1385009409.db2.gz OKXISJMBIFRQDW-JXFKEZNVSA-N 2 1 344.499 3.258 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC001173721096 1385009412 /nfs/dbraw/zinc/00/94/12/1385009412.db2.gz OKXISJMBIFRQDW-JXFKEZNVSA-N 2 1 344.499 3.258 20 0 EGADMP C[NH+](C)Cc1ccccc1Nc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001173931927 1385032936 /nfs/dbraw/zinc/03/29/36/1385032936.db2.gz MXMJDNCJZJFKTA-UHFFFAOYSA-N 2 1 342.462 3.383 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001317343510 1385094809 /nfs/dbraw/zinc/09/48/09/1385094809.db2.gz LYANSKGPHKPHBQ-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP C[NH+](C)Cc1cccc(Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001174446537 1385110205 /nfs/dbraw/zinc/11/02/05/1385110205.db2.gz QXMNNZNUJDVQHH-UHFFFAOYSA-N 2 1 325.456 3.324 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C)C1 ZINC001174881942 1385164662 /nfs/dbraw/zinc/16/46/62/1385164662.db2.gz MTAPYEWUZWBZDU-RTBURBONSA-N 2 1 339.568 3.419 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1ccc(C)c(C)c1 ZINC001317478387 1385174051 /nfs/dbraw/zinc/17/40/51/1385174051.db2.gz IRJMGLBSODMFCE-FQEVSTJZSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)Cc1ccc(C)c(C)c1 ZINC001317478387 1385174053 /nfs/dbraw/zinc/17/40/53/1385174053.db2.gz IRJMGLBSODMFCE-FQEVSTJZSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)Cc1ccc(C)c(C)c1 ZINC001317478387 1385174055 /nfs/dbraw/zinc/17/40/55/1385174055.db2.gz IRJMGLBSODMFCE-FQEVSTJZSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@H+](CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)CC1CCCCC1 ZINC001317493438 1385195034 /nfs/dbraw/zinc/19/50/34/1385195034.db2.gz ZGULIHXIJBYATN-FQEVSTJZSA-N 2 1 345.531 3.308 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)CC1CCCCC1 ZINC001317493438 1385195036 /nfs/dbraw/zinc/19/50/36/1385195036.db2.gz ZGULIHXIJBYATN-FQEVSTJZSA-N 2 1 345.531 3.308 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1c(C)cc(C)cc1C)[NH+](C)C ZINC001317513852 1385227434 /nfs/dbraw/zinc/22/74/34/1385227434.db2.gz ZQEPHTCXPKFGNJ-ICSRJNTNSA-N 2 1 345.531 3.033 20 0 EGADMP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175262404 1385233114 /nfs/dbraw/zinc/23/31/14/1385233114.db2.gz GFRGISPVBUQRAV-QZTJIDSGSA-N 2 1 339.568 3.419 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)CCCC[NH2+]CC1CC1 ZINC001175566663 1385334177 /nfs/dbraw/zinc/33/41/77/1385334177.db2.gz XLVSYTNKPVPXNU-INIZCTEOSA-N 2 1 334.508 3.071 20 0 EGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001175571555 1385335117 /nfs/dbraw/zinc/33/51/17/1385335117.db2.gz CBXHUODYIRHVOP-MSOLQXFVSA-N 2 1 325.541 3.314 20 0 EGADMP C[NH+]1CCC(COc2ccc(F)cc2NC2=CCC[N@@H+](C)C2)CC1 ZINC001175582868 1385339270 /nfs/dbraw/zinc/33/92/70/1385339270.db2.gz OEXXUWNKJULGAK-UHFFFAOYSA-N 2 1 333.451 3.178 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC(C)C ZINC001175738165 1385390149 /nfs/dbraw/zinc/39/01/49/1385390149.db2.gz GVUFOHINBGCOMA-SFHVURJKSA-N 2 1 327.557 3.419 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001335986007 1388983192 /nfs/dbraw/zinc/98/31/92/1388983192.db2.gz IDTWXLGVXWAQLQ-XJKSGUPXSA-N 2 1 344.421 3.449 20 0 EGADMP C[NH+](C)CCNC(=O)c1ccc(Nc2ccc3c[nH+]ccc3c2)cc1 ZINC001175810379 1385411681 /nfs/dbraw/zinc/41/16/81/1385411681.db2.gz YPHNUSYEUMUJOP-UHFFFAOYSA-N 2 1 334.423 3.270 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CC1)c1ccccc1 ZINC001176120511 1385489846 /nfs/dbraw/zinc/48/98/46/1385489846.db2.gz RGHPIALKNHGUHE-PXNSSMCTSA-N 2 1 345.531 3.354 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001176148502 1385495498 /nfs/dbraw/zinc/49/54/98/1385495498.db2.gz UIYDXSMBUGVIGG-UHFFFAOYSA-N 2 1 348.535 3.140 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176165400 1385500977 /nfs/dbraw/zinc/50/09/77/1385500977.db2.gz KPELKDJVZWAFJY-AEFFLSMTSA-N 2 1 325.541 3.029 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001176269612 1385533268 /nfs/dbraw/zinc/53/32/68/1385533268.db2.gz WKEQHZRQGSXMIV-QGZVFWFLSA-N 2 1 327.557 3.419 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001176279902 1385537016 /nfs/dbraw/zinc/53/70/16/1385537016.db2.gz TWFGCMIIDMKTOG-IBGZPJMESA-N 2 1 347.547 3.410 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001176279903 1385537186 /nfs/dbraw/zinc/53/71/86/1385537186.db2.gz TWFGCMIIDMKTOG-LJQANCHMSA-N 2 1 347.547 3.410 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001176284402 1385539048 /nfs/dbraw/zinc/53/90/48/1385539048.db2.gz FXQUFPYBCGIHCI-INIZCTEOSA-N 2 1 325.541 3.029 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001317955188 1385585522 /nfs/dbraw/zinc/58/55/22/1385585522.db2.gz HOBCYOYZNDCQSJ-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176565102 1385626842 /nfs/dbraw/zinc/62/68/42/1385626842.db2.gz SKHWUQUYIPOQGJ-HKUYNNGSSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1cc(C)cc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001176752934 1385683490 /nfs/dbraw/zinc/68/34/90/1385683490.db2.gz BFUIZGZGCOJFJL-IBGZPJMESA-N 2 1 347.547 3.408 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001176972041 1385760427 /nfs/dbraw/zinc/76/04/27/1385760427.db2.gz LSFFRBGFWBZOOC-UHFFFAOYSA-N 2 1 345.531 3.280 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1C ZINC001176986835 1385764785 /nfs/dbraw/zinc/76/47/85/1385764785.db2.gz WYXLYBJRBFXKCA-HKUYNNGSSA-N 2 1 331.504 3.026 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC001176991409 1385766272 /nfs/dbraw/zinc/76/62/72/1385766272.db2.gz ATKISXPVWLHHDL-PMACEKPBSA-N 2 1 343.515 3.034 20 0 EGADMP CCC/C=C\CC[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001177016359 1385773392 /nfs/dbraw/zinc/77/33/92/1385773392.db2.gz KLWUCMZXTMGBJJ-LIXSYLKWSA-N 2 1 331.504 3.132 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001318630367 1385805358 /nfs/dbraw/zinc/80/53/58/1385805358.db2.gz SHMXGJDVVANDIO-JKSUJKDBSA-N 2 1 334.533 3.158 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001318630367 1385805364 /nfs/dbraw/zinc/80/53/64/1385805364.db2.gz SHMXGJDVVANDIO-JKSUJKDBSA-N 2 1 334.533 3.158 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177335586 1385917630 /nfs/dbraw/zinc/91/76/30/1385917630.db2.gz HBGXVELRJJKNRT-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001177348156 1385923392 /nfs/dbraw/zinc/92/33/92/1385923392.db2.gz AODZTRIKUZIUSL-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N(CCC[NH2+]CC1CCC1)CC1CCCC1 ZINC001177348872 1385924352 /nfs/dbraw/zinc/92/43/52/1385924352.db2.gz PESWQZSLOGQWOL-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N(CCC[NH2+]CC(C)C)CC1CCCC1 ZINC001177353068 1385925772 /nfs/dbraw/zinc/92/57/72/1385925772.db2.gz SAEROLLALPVIIO-UHFFFAOYSA-N 2 1 339.568 3.371 20 0 EGADMP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001177472471 1385969428 /nfs/dbraw/zinc/96/94/28/1385969428.db2.gz BRQGHSDBBKGTFX-NRFANRHFSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)C(C)C ZINC001177488879 1385975654 /nfs/dbraw/zinc/97/56/54/1385975654.db2.gz NQTHSUFAUZLQJE-UHFFFAOYSA-N 2 1 337.552 3.291 20 0 EGADMP CC[C@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)C(C)C ZINC001177488763 1385975697 /nfs/dbraw/zinc/97/56/97/1385975697.db2.gz LLYBUNRFMXEBOT-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+][C@@H](C)c2ccc(F)cc2)CCCC1 ZINC001319385901 1386096424 /nfs/dbraw/zinc/09/64/24/1386096424.db2.gz DOHVQLDTSGIBDJ-INIZCTEOSA-N 2 1 349.494 3.247 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001178045822 1386115702 /nfs/dbraw/zinc/11/57/02/1386115702.db2.gz WPFFROGXJDRIOA-IBGZPJMESA-N 2 1 335.536 3.237 20 0 EGADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)s1 ZINC001178291537 1386181829 /nfs/dbraw/zinc/18/18/29/1386181829.db2.gz YLZLXOSEANPNNG-SFHVURJKSA-N 2 1 330.497 3.303 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001178468224 1386226591 /nfs/dbraw/zinc/22/65/91/1386226591.db2.gz PXYLAURXPAGTAP-ZWKOTPCHSA-N 2 1 325.541 3.172 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CCC(C)(C)C)CC[N@H+]1C ZINC001178523060 1386240722 /nfs/dbraw/zinc/24/07/22/1386240722.db2.gz SSSKHBMFKMJWKK-IAGOWNOFSA-N 2 1 325.541 3.029 20 0 EGADMP CCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178522583 1386240848 /nfs/dbraw/zinc/24/08/48/1386240848.db2.gz MSXGGPLRHRNORB-QZTJIDSGSA-N 2 1 325.541 3.173 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]CC2CC(C)C2)CC[N@H+]1C ZINC001178528273 1386242055 /nfs/dbraw/zinc/24/20/55/1386242055.db2.gz URDVKUHORIFWBF-WZOJCFFYSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCCCCC[NH2+]C/C=C\Cl ZINC001178692802 1386279077 /nfs/dbraw/zinc/27/90/77/1386279077.db2.gz BPNFJOHVVXLKLB-PXAMLJHWSA-N 2 1 343.943 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCCCCC[NH2+]C/C=C/Cl ZINC001178692804 1386279141 /nfs/dbraw/zinc/27/91/41/1386279141.db2.gz BPNFJOHVVXLKLB-SYJIQKIWSA-N 2 1 343.943 3.268 20 0 EGADMP CC[C@H](F)C[NH2+]CCCCCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001178693507 1386279751 /nfs/dbraw/zinc/27/97/51/1386279751.db2.gz UQNOGHPKWJARQM-ZWKOTPCHSA-N 2 1 343.531 3.264 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccccc2)C1 ZINC001319828139 1386321381 /nfs/dbraw/zinc/32/13/81/1386321381.db2.gz UBOHRDHUUJCFQB-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001178832791 1386321970 /nfs/dbraw/zinc/32/19/70/1386321970.db2.gz KZXFVQLQAZNLLG-QUCCMNQESA-N 2 1 345.531 3.498 20 0 EGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001178853955 1386329405 /nfs/dbraw/zinc/32/94/05/1386329405.db2.gz QONPFCVZFKXWLZ-HJWRWDBZSA-N 2 1 325.541 3.339 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178891387 1386340410 /nfs/dbraw/zinc/34/04/10/1386340410.db2.gz QYHXIROUWSHHMZ-UHOSZYNNSA-N 2 1 337.552 3.265 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C(C)C)c1 ZINC001319917132 1386389136 /nfs/dbraw/zinc/38/91/36/1386389136.db2.gz JVMCRAJYWGIALL-PXNSSMCTSA-N 2 1 345.531 3.271 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001320041234 1386469643 /nfs/dbraw/zinc/46/96/43/1386469643.db2.gz AXKOHJNWYSNZIG-UYAOXDASSA-N 2 1 347.547 3.341 20 0 EGADMP CCC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001179585484 1386524130 /nfs/dbraw/zinc/52/41/30/1386524130.db2.gz IXOMHXIWGBSBOD-LXORQPIJSA-N 2 1 337.552 3.197 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001179745754 1386570118 /nfs/dbraw/zinc/57/01/18/1386570118.db2.gz GPEIERQLPWOIIW-IBGZPJMESA-N 2 1 337.552 3.316 20 0 EGADMP O=C(NCCCCCC[NH2+]CCC1CC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179788143 1386585660 /nfs/dbraw/zinc/58/56/60/1386585660.db2.gz OERLNLRHYRRRQN-OALUTQOASA-N 2 1 335.536 3.070 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC001320364967 1386588952 /nfs/dbraw/zinc/58/89/52/1386588952.db2.gz SQEPMURKFLRPHR-HOTGVXAUSA-N 2 1 341.499 3.355 20 0 EGADMP CCc1ccc(C[NH2+]CCCCCCNC(=O)CC[N@H+](C)CC)cc1 ZINC001179988934 1386659712 /nfs/dbraw/zinc/65/97/12/1386659712.db2.gz QGYRXHXWVJPUAE-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP CCC/C=C/CC[NH2+]CCCCCCNC(=O)CC[N@@H+](C)CC ZINC001179988938 1386659882 /nfs/dbraw/zinc/65/98/82/1386659882.db2.gz QLGOEUGNOZYSPT-BQYQJAHWSA-N 2 1 325.541 3.341 20 0 EGADMP Cc1cccc(C[NH2+]CCCCCCNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001180060694 1386684070 /nfs/dbraw/zinc/68/40/70/1386684070.db2.gz LROGZBFFDCKZAG-HXUWFJFHSA-N 2 1 345.531 3.103 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001180118095 1386702717 /nfs/dbraw/zinc/70/27/17/1386702717.db2.gz UXXQAHVFPISEEE-UHFFFAOYSA-N 2 1 325.541 3.175 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001180274769 1386751910 /nfs/dbraw/zinc/75/19/10/1386751910.db2.gz VMCMRILUHURXFM-UHFFFAOYSA-N 2 1 346.519 3.348 20 0 EGADMP Cc1cc(C)cc(C[NH2+]CCCCCCNC(=O)C[N@H+](C)C(C)C)c1 ZINC001180369826 1386776676 /nfs/dbraw/zinc/77/66/76/1386776676.db2.gz ZRUPDANYEWOROX-UHFFFAOYSA-N 2 1 347.547 3.410 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CCCCCF ZINC001180372930 1386777440 /nfs/dbraw/zinc/77/74/40/1386777440.db2.gz OJUFWQSVSCMKDD-GOSISDBHSA-N 2 1 343.531 3.267 20 0 EGADMP CCCC[NH2+]CCCCCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001180375824 1386778904 /nfs/dbraw/zinc/77/89/04/1386778904.db2.gz UDRFOSMDZCUURK-LJQANCHMSA-N 2 1 333.520 3.356 20 0 EGADMP C[C@H](CNC(=O)CC[N@@H+](C)Cc1ccccc1)CC(C)(C)CC[NH3+] ZINC001181141963 1386944878 /nfs/dbraw/zinc/94/48/78/1386944878.db2.gz JPZXTPNIGKJJQM-KRWDZBQOSA-N 2 1 333.520 3.026 20 0 EGADMP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181518701 1387008717 /nfs/dbraw/zinc/00/87/17/1387008717.db2.gz ZHZIFESQACAFMW-YEIUDEFDSA-N 2 1 349.563 3.147 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCCCC1)C1CCC1 ZINC001322338958 1387163431 /nfs/dbraw/zinc/16/34/31/1387163431.db2.gz PKQVUAXEGDTLJC-QUCCMNQESA-N 2 1 349.563 3.316 20 0 EGADMP C[NH+]1CCC(c2ccc(NC(=O)[C@@H]3CCC[N@H+]3CC3CC3)cc2)CC1 ZINC001182554356 1387185891 /nfs/dbraw/zinc/18/58/91/1387185891.db2.gz FXTQUAWOAOKORL-FQEVSTJZSA-N 2 1 341.499 3.309 20 0 EGADMP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001182623087 1387198461 /nfs/dbraw/zinc/19/84/61/1387198461.db2.gz AVWWGPASBYLHEF-YLJYHZDGSA-N 2 1 337.552 3.005 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC001322634608 1387216973 /nfs/dbraw/zinc/21/69/73/1387216973.db2.gz VIEGMPPRWDCUHI-ZWKOTPCHSA-N 3 1 333.520 3.010 20 0 EGADMP CC[N@@H+]1CCC[C@H](CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC001322634608 1387216975 /nfs/dbraw/zinc/21/69/75/1387216975.db2.gz VIEGMPPRWDCUHI-ZWKOTPCHSA-N 2 1 333.520 3.010 20 0 EGADMP CC[N@H+]1CCC[C@H](CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC001322634608 1387216977 /nfs/dbraw/zinc/21/69/77/1387216977.db2.gz VIEGMPPRWDCUHI-ZWKOTPCHSA-N 2 1 333.520 3.010 20 0 EGADMP CCN1CCC[C@H](C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC001322634608 1387216978 /nfs/dbraw/zinc/21/69/78/1387216978.db2.gz VIEGMPPRWDCUHI-ZWKOTPCHSA-N 2 1 333.520 3.010 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCCCC[NH+]1CC1CC(C)C1 ZINC001329936042 1389264952 /nfs/dbraw/zinc/26/49/52/1389264952.db2.gz IVWRWRJLYZJXRU-CTWPCTMYSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1CC1CC(C)C1 ZINC001329936042 1389264953 /nfs/dbraw/zinc/26/49/53/1389264953.db2.gz IVWRWRJLYZJXRU-CTWPCTMYSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@H+]1CC1CC(C)C1 ZINC001329936042 1389264954 /nfs/dbraw/zinc/26/49/54/1389264954.db2.gz IVWRWRJLYZJXRU-CTWPCTMYSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001698726397 1406376950 /nfs/dbraw/zinc/37/69/50/1406376950.db2.gz PRSMVZLTFWKOKE-GOSISDBHSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC001338004586 1389513717 /nfs/dbraw/zinc/51/37/17/1389513717.db2.gz TUPCZTYDQZYKPV-HXUWFJFHSA-N 2 1 345.531 3.409 20 0 EGADMP C[C@H](CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)C1CC[NH2+]CC1 ZINC001330975989 1389583669 /nfs/dbraw/zinc/58/36/69/1389583669.db2.gz JFZOXLNMWMHYHV-CYBMUJFWSA-N 2 1 337.895 3.366 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001331031748 1389603571 /nfs/dbraw/zinc/60/35/71/1389603571.db2.gz ZHYZLBMBELSFHV-IEBWSBKVSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@@H](C)C[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001331031748 1389603573 /nfs/dbraw/zinc/60/35/73/1389603573.db2.gz ZHYZLBMBELSFHV-IEBWSBKVSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@@H](C)C[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001331031748 1389603576 /nfs/dbraw/zinc/60/35/76/1389603576.db2.gz ZHYZLBMBELSFHV-IEBWSBKVSA-N 2 1 337.552 3.076 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC001338450143 1389686191 /nfs/dbraw/zinc/68/61/91/1389686191.db2.gz XPRKXCGWFMSXLV-HNNXBMFYSA-N 2 1 335.467 3.317 20 0 EGADMP Cc1csc([C@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)n1 ZINC001331298520 1389691118 /nfs/dbraw/zinc/69/11/18/1389691118.db2.gz VWUUJUBPCBUSGJ-HNNXBMFYSA-N 2 1 330.501 3.054 20 0 EGADMP COc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1OC(F)F ZINC001332360907 1390096491 /nfs/dbraw/zinc/09/64/91/1390096491.db2.gz WMFHZZCYDFVEPP-UHFFFAOYSA-N 2 1 340.414 3.262 20 0 EGADMP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001332425320 1390113892 /nfs/dbraw/zinc/11/38/92/1390113892.db2.gz ZHPXAYDRFBOKBH-HNNXBMFYSA-N 2 1 347.528 3.201 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC001332882320 1390208199 /nfs/dbraw/zinc/20/81/99/1390208199.db2.gz XALOHPDASMDRJM-NSBMPJFYSA-N 2 1 340.511 3.444 20 0 EGADMP C[C@@H]1C[C@H](C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC[NH2+]1 ZINC001340156268 1390238530 /nfs/dbraw/zinc/23/85/30/1390238530.db2.gz ZRFZMJXREXVMJQ-KZNAEPCWSA-N 2 1 343.515 3.065 20 0 EGADMP CCON1CCC([NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC001333556819 1390336766 /nfs/dbraw/zinc/33/67/66/1390336766.db2.gz BAVRBBOVQHLAIV-QGZVFWFLSA-N 2 1 331.504 3.218 20 0 EGADMP c1ccc2c(c1)ccnc2C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001333704203 1390379110 /nfs/dbraw/zinc/37/91/10/1390379110.db2.gz UVPACCOIVPPLQH-UHFFFAOYSA-N 2 1 347.462 3.357 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC001340912927 1390402666 /nfs/dbraw/zinc/40/26/66/1390402666.db2.gz WDVHMADDWCSIMH-GDBMZVCRSA-N 2 1 333.476 3.036 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC001340912927 1390402669 /nfs/dbraw/zinc/40/26/69/1390402669.db2.gz WDVHMADDWCSIMH-GDBMZVCRSA-N 2 1 333.476 3.036 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(C)c1OC ZINC001334355198 1390523963 /nfs/dbraw/zinc/52/39/63/1390523963.db2.gz AMHSTIMPSJPRJQ-BZSNNMDCSA-N 2 1 332.488 3.174 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c2c(n1)CCCC2 ZINC001335583159 1390706193 /nfs/dbraw/zinc/70/61/93/1390706193.db2.gz PTRWGLAEBJGDFV-SCTDSRPQSA-N 2 1 327.516 3.431 20 0 EGADMP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(C)(C)C ZINC001344335837 1390784113 /nfs/dbraw/zinc/78/41/13/1390784113.db2.gz RDBHMWJSSHLSHQ-UHFFFAOYSA-N 2 1 349.544 3.294 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cc(F)ccc1OC ZINC001352087868 1391757354 /nfs/dbraw/zinc/75/73/54/1391757354.db2.gz DGWQXNVTWOTQFF-QGZVFWFLSA-N 2 1 338.467 3.110 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(F)c1OC ZINC001352113399 1391760992 /nfs/dbraw/zinc/76/09/92/1391760992.db2.gz RVKRNYFYODCGIB-BPUTZDHNSA-N 2 1 336.451 3.005 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001698848275 1406550207 /nfs/dbraw/zinc/55/02/07/1406550207.db2.gz OIAUEFGOBXRWQA-QGZVFWFLSA-N 2 1 348.535 3.379 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1)[NH+](C)C ZINC001479963964 1392498671 /nfs/dbraw/zinc/49/86/71/1392498671.db2.gz ICYBULGFDWHKKU-MOPGFXCFSA-N 2 1 345.531 3.015 20 0 EGADMP CC/C=C\CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001480087957 1392578026 /nfs/dbraw/zinc/57/80/26/1392578026.db2.gz CMSZJCABLRUVCH-VXOKQSJXSA-N 2 1 337.552 3.099 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001480739535 1392905178 /nfs/dbraw/zinc/90/51/78/1392905178.db2.gz QXNWYYDEJCCHKO-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001480739535 1392905180 /nfs/dbraw/zinc/90/51/80/1392905180.db2.gz QXNWYYDEJCCHKO-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001480739535 1392905182 /nfs/dbraw/zinc/90/51/82/1392905182.db2.gz QXNWYYDEJCCHKO-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccccc1C1CC1 ZINC001480772225 1392924107 /nfs/dbraw/zinc/92/41/07/1392924107.db2.gz CEVZLNPRCUGBBC-JXFKEZNVSA-N 2 1 343.515 3.033 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+](C)[C@@H](C)c2ccccc2C)C1 ZINC001480903968 1393009460 /nfs/dbraw/zinc/00/94/60/1393009460.db2.gz CCUAOAWDWCPZPV-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001480903968 1393009462 /nfs/dbraw/zinc/00/94/62/1393009462.db2.gz CCUAOAWDWCPZPV-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001480903968 1393009466 /nfs/dbraw/zinc/00/94/66/1393009466.db2.gz CCUAOAWDWCPZPV-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001480920790 1393020736 /nfs/dbraw/zinc/02/07/36/1393020736.db2.gz XIKWNSVYAOLQEY-SJORKVTESA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@H+](CCCC(C)(C)C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001480996315 1393076238 /nfs/dbraw/zinc/07/62/38/1393076238.db2.gz SVDUAXNIVPIZAG-KRWDZBQOSA-N 2 1 348.535 3.018 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001480996315 1393076240 /nfs/dbraw/zinc/07/62/40/1393076240.db2.gz SVDUAXNIVPIZAG-KRWDZBQOSA-N 2 1 348.535 3.018 20 0 EGADMP CCC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)CC1CC(C)C1 ZINC001481136927 1393130220 /nfs/dbraw/zinc/13/02/20/1393130220.db2.gz VFRYAZJWEQWUMY-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CCCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001481405631 1394258080 /nfs/dbraw/zinc/25/80/80/1394258080.db2.gz KOIYMVZUXRVCNJ-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)N[C@H]1CCC[NH+](CCC2CC2)C1)c1ccccc1 ZINC001481538723 1394399707 /nfs/dbraw/zinc/39/97/07/1394399707.db2.gz HPZVPJWAHCEJEV-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H]1CCC[NH+](CCC2CC2)C1)c1ccccc1 ZINC001481538723 1394399715 /nfs/dbraw/zinc/39/97/15/1394399715.db2.gz HPZVPJWAHCEJEV-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CCC2CC2)C1)c1ccccc1 ZINC001481538723 1394399719 /nfs/dbraw/zinc/39/97/19/1394399719.db2.gz HPZVPJWAHCEJEV-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)C1)c1ccccc1 ZINC001481538723 1394399723 /nfs/dbraw/zinc/39/97/23/1394399723.db2.gz HPZVPJWAHCEJEV-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CCCC[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001491112964 1394433341 /nfs/dbraw/zinc/43/33/41/1394433341.db2.gz ATLPGNRPPFLZMQ-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+]1CCC[C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001491112964 1394433344 /nfs/dbraw/zinc/43/33/44/1394433344.db2.gz ATLPGNRPPFLZMQ-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+]1CCC[C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001491112964 1394433346 /nfs/dbraw/zinc/43/33/46/1394433346.db2.gz ATLPGNRPPFLZMQ-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccccc1C1CC1 ZINC001481840290 1394553841 /nfs/dbraw/zinc/55/38/41/1394553841.db2.gz DYEOOUPOEMHTEN-ICSRJNTNSA-N 2 1 343.515 3.033 20 0 EGADMP CC[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCC1)c1ccccc1 ZINC001482213294 1394806921 /nfs/dbraw/zinc/80/69/21/1394806921.db2.gz JQUUCVUCCURJII-MOPGFXCFSA-N 2 1 343.515 3.251 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)[C@@H](C)C1 ZINC001482433914 1394994063 /nfs/dbraw/zinc/99/40/63/1394994063.db2.gz MBNDCOUGBXSUFR-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@]2(CC[NH+](C(C)C)C2)C1)c1ccccc1 ZINC001483848469 1395115540 /nfs/dbraw/zinc/11/55/40/1395115540.db2.gz UUXKLBZFKXIJMV-FPOVZHCZSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](C(C)C)C2)C1)c1ccccc1 ZINC001483848469 1395115543 /nfs/dbraw/zinc/11/55/43/1395115543.db2.gz UUXKLBZFKXIJMV-FPOVZHCZSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](C(C)C)C2)C1)c1ccccc1 ZINC001483848469 1395115544 /nfs/dbraw/zinc/11/55/44/1395115544.db2.gz UUXKLBZFKXIJMV-FPOVZHCZSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)c1ccccc1C[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001698994691 1406790081 /nfs/dbraw/zinc/79/00/81/1406790081.db2.gz PGYSGOJSTRDYEM-UHFFFAOYSA-N 2 1 345.531 3.042 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1cccc(C)c1)[NH+](C)C ZINC001485483849 1395969462 /nfs/dbraw/zinc/96/94/62/1395969462.db2.gz COEMASYVNSHJQL-PMACEKPBSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](CCC1CCCC1)C2 ZINC001485666314 1396094087 /nfs/dbraw/zinc/09/40/87/1396094087.db2.gz JOKWSBDRILDPBE-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+](CCC1CCCC1)C2 ZINC001485666314 1396094098 /nfs/dbraw/zinc/09/40/98/1396094098.db2.gz JOKWSBDRILDPBE-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CCC[N@@H+](CCC1CCCC1)C2 ZINC001485666314 1396094107 /nfs/dbraw/zinc/09/41/07/1396094107.db2.gz JOKWSBDRILDPBE-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([NH+](C)CCCC(C)(C)C)CC2)C1 ZINC001485763451 1396139498 /nfs/dbraw/zinc/13/94/98/1396139498.db2.gz OIUWQNAEBVMXNB-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC([N@H+](C)CCCC(C)(C)C)CC2)C1 ZINC001485763451 1396139504 /nfs/dbraw/zinc/13/95/04/1396139504.db2.gz OIUWQNAEBVMXNB-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC([N@@H+](C)CCCC(C)(C)C)CC2)C1 ZINC001485763451 1396139507 /nfs/dbraw/zinc/13/95/07/1396139507.db2.gz OIUWQNAEBVMXNB-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001486185374 1396181285 /nfs/dbraw/zinc/18/12/85/1396181285.db2.gz AIBSYAJTUZDQHY-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001494294193 1396421905 /nfs/dbraw/zinc/42/19/05/1396421905.db2.gz YBOCAHHRFIOJQO-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](CC)c2ccccc2)C1 ZINC001494294193 1396421909 /nfs/dbraw/zinc/42/19/09/1396421909.db2.gz YBOCAHHRFIOJQO-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC001494294193 1396421911 /nfs/dbraw/zinc/42/19/11/1396421911.db2.gz YBOCAHHRFIOJQO-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001689052710 1396848038 /nfs/dbraw/zinc/84/80/38/1396848038.db2.gz PTAHYPIUTCDERN-SJORKVTESA-N 2 1 334.508 3.022 20 0 EGADMP CN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001690024972 1404263876 /nfs/dbraw/zinc/26/38/76/1404263876.db2.gz YUMMTSNYWZMHSX-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001690684009 1404689536 /nfs/dbraw/zinc/68/95/36/1404689536.db2.gz HYIZFCRDAXRBKP-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001690783208 1404730734 /nfs/dbraw/zinc/73/07/34/1404730734.db2.gz BIRYVPOEWWAHFR-UXHICEINSA-N 2 1 345.531 3.162 20 0 EGADMP Cc1c(C(=O)NCC[N@H+](C)CC2CCCCCC2)ccc2c[nH+]cn21 ZINC001690955560 1404863775 /nfs/dbraw/zinc/86/37/75/1404863775.db2.gz YRGWYEZDUCBSEX-UHFFFAOYSA-N 2 1 342.487 3.275 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001690970823 1404877491 /nfs/dbraw/zinc/87/74/91/1404877491.db2.gz LMLRXAPRNFXYRX-WMZOPIPTSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001690970823 1404877495 /nfs/dbraw/zinc/87/74/95/1404877495.db2.gz LMLRXAPRNFXYRX-WMZOPIPTSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001690970823 1404877503 /nfs/dbraw/zinc/87/75/03/1404877503.db2.gz LMLRXAPRNFXYRX-WMZOPIPTSA-N 2 1 349.494 3.057 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1cc(C)ccc1C ZINC001691019606 1404933432 /nfs/dbraw/zinc/93/34/32/1404933432.db2.gz BTSBLJPWIJJRKT-FQEVSTJZSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)Cc1cc(C)ccc1C ZINC001691019606 1404933433 /nfs/dbraw/zinc/93/34/33/1404933433.db2.gz BTSBLJPWIJJRKT-FQEVSTJZSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)Cc1cc(C)ccc1C ZINC001691019606 1404933438 /nfs/dbraw/zinc/93/34/38/1404933438.db2.gz BTSBLJPWIJJRKT-FQEVSTJZSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1cc(C)ccc1C ZINC001691019607 1404933555 /nfs/dbraw/zinc/93/35/55/1404933555.db2.gz BTSBLJPWIJJRKT-HXUWFJFHSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)Cc1cc(C)ccc1C ZINC001691019607 1404933559 /nfs/dbraw/zinc/93/35/59/1404933559.db2.gz BTSBLJPWIJJRKT-HXUWFJFHSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)Cc1cc(C)ccc1C ZINC001691019607 1404933568 /nfs/dbraw/zinc/93/35/68/1404933568.db2.gz BTSBLJPWIJJRKT-HXUWFJFHSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)CCC1CCCCCC1 ZINC001691028553 1404938131 /nfs/dbraw/zinc/93/81/31/1404938131.db2.gz BOJDGZWGKIISDM-UHFFFAOYSA-N 2 1 349.563 3.413 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)Cc1ccc(F)cc1 ZINC001691043199 1404953232 /nfs/dbraw/zinc/95/32/32/1404953232.db2.gz AYLJGTSNUHKJLT-QGZVFWFLSA-N 2 1 349.494 3.028 20 0 EGADMP CC1CC[NH+](CC(=O)N(C)C[C@H]2CC[N@H+]2CCCC2CCCC2)CC1 ZINC001691065890 1404992604 /nfs/dbraw/zinc/99/26/04/1404992604.db2.gz HZVMYJLIHHLPBD-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001691867332 1405588664 /nfs/dbraw/zinc/58/86/64/1405588664.db2.gz RTHZMYAHMHKCEM-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CCC(C[N@@H+](C)CCCC2CCC2)CC1)[NH+](C)C ZINC001692022940 1405740497 /nfs/dbraw/zinc/74/04/97/1405740497.db2.gz LPBJPNIYBYEYII-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001698563906 1406164908 /nfs/dbraw/zinc/16/49/08/1406164908.db2.gz RKAUGYDOHYVBJO-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)C[N@H+](C)C1CCC1)[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001698563906 1406164911 /nfs/dbraw/zinc/16/49/11/1406164911.db2.gz RKAUGYDOHYVBJO-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)C[N@@H+](C)C1CCC1)[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001698563906 1406164912 /nfs/dbraw/zinc/16/49/12/1406164912.db2.gz RKAUGYDOHYVBJO-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001732042655 1428275183 /nfs/dbraw/zinc/27/51/83/1428275183.db2.gz WTUTXOCGPPEXCK-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001732042655 1428275185 /nfs/dbraw/zinc/27/51/85/1428275185.db2.gz WTUTXOCGPPEXCK-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP C[N@@H+](CCCC1CCCC1)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001732079555 1428332468 /nfs/dbraw/zinc/33/24/68/1428332468.db2.gz KTDDLVVASAQJID-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001732079555 1428332470 /nfs/dbraw/zinc/33/24/70/1428332470.db2.gz KTDDLVVASAQJID-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001732079555 1428332473 /nfs/dbraw/zinc/33/24/73/1428332473.db2.gz KTDDLVVASAQJID-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001732101461 1428361715 /nfs/dbraw/zinc/36/17/15/1428361715.db2.gz NPELJNABSFLWRR-MSOLQXFVSA-N 2 1 349.563 3.124 20 0 EGADMP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001732186013 1428434863 /nfs/dbraw/zinc/43/48/63/1428434863.db2.gz QGBGXASFEMSQRG-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCN(C(=O)CC[N@H+](C)CC)[C@H]1CC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001732186013 1428434867 /nfs/dbraw/zinc/43/48/67/1428434867.db2.gz QGBGXASFEMSQRG-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCN(C(=O)CC[N@@H+](C)CC)[C@H]1CC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001732186013 1428434869 /nfs/dbraw/zinc/43/48/69/1428434869.db2.gz QGBGXASFEMSQRG-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(CC[NH2+][C@H](C)c2ccccc2)CC1 ZINC001732302417 1428520048 /nfs/dbraw/zinc/52/00/48/1428520048.db2.gz HACVAXZCYIWFDD-GOSISDBHSA-N 2 1 345.531 3.308 20 0 EGADMP Cc1ccccc1C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001732365222 1428549681 /nfs/dbraw/zinc/54/96/81/1428549681.db2.gz KBIXHEBRILFPHU-XLIONFOSSA-N 2 1 345.531 3.100 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+][C@H](C)c2ccc(F)cc2)CCCC1 ZINC001732399774 1428565810 /nfs/dbraw/zinc/56/58/10/1428565810.db2.gz PEYSDPFBKOUUNR-MRXNPFEDSA-N 2 1 349.494 3.247 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC2(C[NH+](C(C)C)C2)CC1)c1ccccc1 ZINC001732405991 1428569026 /nfs/dbraw/zinc/56/90/26/1428569026.db2.gz XCLARGVPEKLHKO-LJQANCHMSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001732534335 1428655230 /nfs/dbraw/zinc/65/52/30/1428655230.db2.gz XCOGQZTXNLLJKW-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001699429173 1412746145 /nfs/dbraw/zinc/74/61/45/1412746145.db2.gz YMUHNFVOVQJXSF-DLBZAZTESA-N 2 1 341.499 3.337 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001699579859 1412935541 /nfs/dbraw/zinc/93/55/41/1412935541.db2.gz TXDBQTRENGWQOQ-OXJNMPFZSA-N 2 1 343.515 3.025 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@@H]1C ZINC001699736783 1413148111 /nfs/dbraw/zinc/14/81/11/1413148111.db2.gz GJBDQHUIMQDMAN-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001699736789 1413148404 /nfs/dbraw/zinc/14/84/04/1413148404.db2.gz GJBDQHUIMQDMAN-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001732550629 1428732237 /nfs/dbraw/zinc/73/22/37/1428732237.db2.gz XYFUZNXZIOLFRL-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)CCC[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001700347911 1413837128 /nfs/dbraw/zinc/83/71/28/1413837128.db2.gz RCFMYJHJVDZMGE-SFHVURJKSA-N 2 1 348.535 3.413 20 0 EGADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)CC1CCC(C)(C)CC1 ZINC001700460443 1414056550 /nfs/dbraw/zinc/05/65/50/1414056550.db2.gz KNTVYQFTJISSQV-MRXNPFEDSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)CC1CCC(C)(C)CC1 ZINC001700460443 1414056554 /nfs/dbraw/zinc/05/65/54/1414056554.db2.gz KNTVYQFTJISSQV-MRXNPFEDSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001700460443 1414056560 /nfs/dbraw/zinc/05/65/60/1414056560.db2.gz KNTVYQFTJISSQV-MRXNPFEDSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@H](CC)c2ccc(F)cc2)C1 ZINC001700555798 1414225765 /nfs/dbraw/zinc/22/57/65/1414225765.db2.gz UDAYBTIWNRQVJO-HNAYVOBHSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@H](CC)c2ccc(F)cc2)C1 ZINC001700555796 1414225780 /nfs/dbraw/zinc/22/57/80/1414225780.db2.gz UDAYBTIWNRQVJO-DNVCBOLYSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2F)[C@H]1C ZINC001700891003 1414550326 /nfs/dbraw/zinc/55/03/26/1414550326.db2.gz YGMQLOCFMTYSOZ-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2F)[C@H]1C ZINC001700891003 1414550329 /nfs/dbraw/zinc/55/03/29/1414550329.db2.gz YGMQLOCFMTYSOZ-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)[C@H]1C ZINC001700891003 1414550332 /nfs/dbraw/zinc/55/03/32/1414550332.db2.gz YGMQLOCFMTYSOZ-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP C[C@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CCC[N@H+]1CC1CCC1 ZINC001700890976 1414550519 /nfs/dbraw/zinc/55/05/19/1414550519.db2.gz XZLGVLFJWASBHM-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001732628135 1428890902 /nfs/dbraw/zinc/89/09/02/1428890902.db2.gz UCVAZMZNCASMCY-PMACEKPBSA-N 2 1 345.531 3.020 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1CCC1 ZINC001707447312 1417351588 /nfs/dbraw/zinc/35/15/88/1417351588.db2.gz QLDIQKCOLNAQNB-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001713360957 1417975575 /nfs/dbraw/zinc/97/55/75/1417975575.db2.gz SBLZRZHMBQNUSW-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001713377573 1417987840 /nfs/dbraw/zinc/98/78/40/1417987840.db2.gz SKYYQVFBUPJDKT-RBUKOAKNSA-N 2 1 349.563 3.458 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001713792642 1418610854 /nfs/dbraw/zinc/61/08/54/1418610854.db2.gz MABMWJZQTLRJHA-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001713792642 1418610858 /nfs/dbraw/zinc/61/08/58/1418610858.db2.gz MABMWJZQTLRJHA-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP O=C(CCC[NH+]1CCCC1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001714118419 1418923280 /nfs/dbraw/zinc/92/32/80/1418923280.db2.gz RJGMTOFVPRXHEJ-HXUWFJFHSA-N 2 1 343.515 3.033 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2cc(C)ccc2C)C1 ZINC001714449032 1419181527 /nfs/dbraw/zinc/18/15/27/1419181527.db2.gz XWDJOUBJGBYEES-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)Cc2cc(C)ccc2C)C1 ZINC001714449032 1419181529 /nfs/dbraw/zinc/18/15/29/1419181529.db2.gz XWDJOUBJGBYEES-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(C)ccc2C)C1 ZINC001714449032 1419181530 /nfs/dbraw/zinc/18/15/30/1419181530.db2.gz XWDJOUBJGBYEES-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)cc1 ZINC001714536797 1419262710 /nfs/dbraw/zinc/26/27/10/1419262710.db2.gz IEBAQNDQHWQCOY-VQIMIIECSA-N 2 1 331.504 3.013 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+](C)CCNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001714536797 1419262712 /nfs/dbraw/zinc/26/27/12/1419262712.db2.gz IEBAQNDQHWQCOY-VQIMIIECSA-N 2 1 331.504 3.013 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+](C)CCNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001714536797 1419262715 /nfs/dbraw/zinc/26/27/15/1419262715.db2.gz IEBAQNDQHWQCOY-VQIMIIECSA-N 2 1 331.504 3.013 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001714556510 1419284255 /nfs/dbraw/zinc/28/42/55/1419284255.db2.gz QJPTWPIKDSIWLX-ICSRJNTNSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001714556510 1419284259 /nfs/dbraw/zinc/28/42/59/1419284259.db2.gz QJPTWPIKDSIWLX-ICSRJNTNSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001714556510 1419284261 /nfs/dbraw/zinc/28/42/61/1419284261.db2.gz QJPTWPIKDSIWLX-ICSRJNTNSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@H](C)c1ccccc1 ZINC001714584169 1419325679 /nfs/dbraw/zinc/32/56/79/1419325679.db2.gz PRUKWOOLULNGTJ-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)[C@H](C)c1ccccc1 ZINC001714584169 1419325683 /nfs/dbraw/zinc/32/56/83/1419325683.db2.gz PRUKWOOLULNGTJ-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)[C@H](C)c1ccccc1 ZINC001714584169 1419325687 /nfs/dbraw/zinc/32/56/87/1419325687.db2.gz PRUKWOOLULNGTJ-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)[C@@H](C)c1ccccc1 ZINC001714587149 1419330402 /nfs/dbraw/zinc/33/04/02/1419330402.db2.gz OGZAMWQTFXEKJD-ICSRJNTNSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[C@@H](C)c1ccccc1 ZINC001714587149 1419330405 /nfs/dbraw/zinc/33/04/05/1419330405.db2.gz OGZAMWQTFXEKJD-ICSRJNTNSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)[C@@H](C)c1ccccc1 ZINC001714587149 1419330409 /nfs/dbraw/zinc/33/04/09/1419330409.db2.gz OGZAMWQTFXEKJD-ICSRJNTNSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CCC1CCCCCC1 ZINC001714619431 1419384880 /nfs/dbraw/zinc/38/48/80/1419384880.db2.gz PBYZGAFUIFTVPN-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCCCC1 ZINC001714619431 1419384882 /nfs/dbraw/zinc/38/48/82/1419384882.db2.gz PBYZGAFUIFTVPN-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1CCC1CCCCCC1 ZINC001714619431 1419384884 /nfs/dbraw/zinc/38/48/84/1419384884.db2.gz PBYZGAFUIFTVPN-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@H]2CNC(=O)CC[NH+]2CCCCC2)cs1 ZINC001714626488 1419396974 /nfs/dbraw/zinc/39/69/74/1419396974.db2.gz WOOMOFWHRUXBML-SFHVURJKSA-N 2 1 349.544 3.013 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CCC[NH+](CCC2CC2)C1)c1ccccc1 ZINC001714922792 1419676037 /nfs/dbraw/zinc/67/60/37/1419676037.db2.gz HPZVPJWAHCEJEV-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1CCC[NH+](CCC2CC2)C1)c1ccccc1 ZINC001714922792 1419676042 /nfs/dbraw/zinc/67/60/42/1419676042.db2.gz HPZVPJWAHCEJEV-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)C1)c1ccccc1 ZINC001714922792 1419676048 /nfs/dbraw/zinc/67/60/48/1419676048.db2.gz HPZVPJWAHCEJEV-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)C1)c1ccccc1 ZINC001714922792 1419676053 /nfs/dbraw/zinc/67/60/53/1419676053.db2.gz HPZVPJWAHCEJEV-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)(C)CCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001714938138 1419685540 /nfs/dbraw/zinc/68/55/40/1419685540.db2.gz QPLHIYBAJMGEQG-SFHVURJKSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001714938138 1419685543 /nfs/dbraw/zinc/68/55/43/1419685543.db2.gz QPLHIYBAJMGEQG-SFHVURJKSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C2)c1 ZINC001715014598 1419742202 /nfs/dbraw/zinc/74/22/02/1419742202.db2.gz ALLABKGDUHKVFR-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP Cc1cccc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)C2)c1 ZINC001715014598 1419742204 /nfs/dbraw/zinc/74/22/04/1419742204.db2.gz ALLABKGDUHKVFR-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP Cc1cccc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C2)c1 ZINC001715014598 1419742207 /nfs/dbraw/zinc/74/22/07/1419742207.db2.gz ALLABKGDUHKVFR-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001715031043 1419763584 /nfs/dbraw/zinc/76/35/84/1419763584.db2.gz MGADQBITNCMJQZ-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCC2CCCC2)C1 ZINC001715457504 1420138329 /nfs/dbraw/zinc/13/83/29/1420138329.db2.gz GRGPVZAVYSQAJS-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001715457432 1420138423 /nfs/dbraw/zinc/13/84/23/1420138423.db2.gz PMKCCKJEQXRYMB-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CCC1CCCCCC1 ZINC001715491715 1420173141 /nfs/dbraw/zinc/17/31/41/1420173141.db2.gz UDXSNFIPZNVWAI-RBUKOAKNSA-N 2 1 337.552 3.172 20 0 EGADMP CC1CC[NH+](CC(=O)N(C)CC[N@@H+](C)CCCC2CCCC2)CC1 ZINC001715978126 1420438188 /nfs/dbraw/zinc/43/81/88/1420438188.db2.gz RLLXYTRHNSCUPH-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@H](C[N@@H+](C)[C@H](C)c1cccc(F)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001716043382 1420506657 /nfs/dbraw/zinc/50/66/57/1420506657.db2.gz WFDKISNEZPVJNW-HZPDHXFCSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](C[N@@H+](C)[C@@H](C)c1ccccc1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001716044325 1420507451 /nfs/dbraw/zinc/50/74/51/1420507451.db2.gz LCICULPPKPIZJK-SJORKVTESA-N 2 1 333.520 3.162 20 0 EGADMP C[C@H](C[NH+](C)[C@@H](C)c1ccccc1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001716044325 1420507452 /nfs/dbraw/zinc/50/74/52/1420507452.db2.gz LCICULPPKPIZJK-SJORKVTESA-N 2 1 333.520 3.162 20 0 EGADMP C[C@H](C[NH+](C)[C@@H](C)c1ccccc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001716044325 1420507454 /nfs/dbraw/zinc/50/74/54/1420507454.db2.gz LCICULPPKPIZJK-SJORKVTESA-N 2 1 333.520 3.162 20 0 EGADMP C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1 ZINC001716864177 1420993507 /nfs/dbraw/zinc/99/35/07/1420993507.db2.gz BUNLYVHWHMCJHU-DYESRHJHSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@](C)(C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001716880529 1421004877 /nfs/dbraw/zinc/00/48/77/1421004877.db2.gz OTGMHKRCBBUPFJ-OXQOHEQNSA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CCC1 ZINC001717158899 1421148527 /nfs/dbraw/zinc/14/85/27/1421148527.db2.gz MWMUCSQLMAMBOJ-IBGZPJMESA-N 2 1 343.515 3.078 20 0 EGADMP CC(C)[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)CC1 ZINC001733290279 1429468981 /nfs/dbraw/zinc/46/89/81/1429468981.db2.gz JGDGZVAYCSUAQR-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001717375238 1421316985 /nfs/dbraw/zinc/31/69/85/1421316985.db2.gz ZZTWSLBXSBDOPQ-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001717479147 1421413469 /nfs/dbraw/zinc/41/34/69/1421413469.db2.gz IJZCXKUXIABXRG-MSOLQXFVSA-N 2 1 343.515 3.121 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001733300637 1429484419 /nfs/dbraw/zinc/48/44/19/1429484419.db2.gz QFGOMHXQBQWVIU-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)Cc2cc(C)cc(C)c2)CC1 ZINC001717705019 1421578941 /nfs/dbraw/zinc/57/89/41/1421578941.db2.gz CCEARDMXAXSQEA-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)Cc2cc(C)cc(C)c2)CC1 ZINC001717705019 1421578943 /nfs/dbraw/zinc/57/89/43/1421578943.db2.gz CCEARDMXAXSQEA-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)Cc2cc(C)cc(C)c2)CC1 ZINC001717705019 1421578945 /nfs/dbraw/zinc/57/89/45/1421578945.db2.gz CCEARDMXAXSQEA-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)[C@H](C)c2cccc(F)c2)CC1 ZINC001717705093 1421579960 /nfs/dbraw/zinc/57/99/60/1421579960.db2.gz FZSUSKPKDKKXLY-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)[C@H](C)c2cccc(F)c2)CC1 ZINC001717705093 1421579962 /nfs/dbraw/zinc/57/99/62/1421579962.db2.gz FZSUSKPKDKKXLY-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)[C@H](C)c2cccc(F)c2)CC1 ZINC001717705093 1421579966 /nfs/dbraw/zinc/57/99/66/1421579966.db2.gz FZSUSKPKDKKXLY-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP C[N@@H+](CCCC1CCC1)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001717705513 1421580338 /nfs/dbraw/zinc/58/03/38/1421580338.db2.gz HBTAHIVHSZSLGJ-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)Cc2cc(C)ccc2C)CC1 ZINC001717705887 1421581090 /nfs/dbraw/zinc/58/10/90/1421581090.db2.gz VCNSBCNOOZDMCO-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@H+](C)Cc2cc(C)ccc2C)CC1 ZINC001717705887 1421581091 /nfs/dbraw/zinc/58/10/91/1421581091.db2.gz VCNSBCNOOZDMCO-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](C)Cc2cc(C)ccc2C)CC1 ZINC001717705887 1421581092 /nfs/dbraw/zinc/58/10/92/1421581092.db2.gz VCNSBCNOOZDMCO-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@@H+](CC3CCC3)C2)CC1 ZINC001733459786 1429682793 /nfs/dbraw/zinc/68/27/93/1429682793.db2.gz AFDAZULBNGFKGO-NRFANRHFSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001724183692 1424716655 /nfs/dbraw/zinc/71/66/55/1424716655.db2.gz KJZZIXVHXROOBS-HXUWFJFHSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@H+](CCC2CCCCCC2)C1 ZINC001724183692 1424716659 /nfs/dbraw/zinc/71/66/59/1424716659.db2.gz KJZZIXVHXROOBS-HXUWFJFHSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](CCC2CCCCCC2)C1 ZINC001724183692 1424716662 /nfs/dbraw/zinc/71/66/62/1424716662.db2.gz KJZZIXVHXROOBS-HXUWFJFHSA-N 2 1 337.552 3.269 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001724188450 1424720274 /nfs/dbraw/zinc/72/02/74/1424720274.db2.gz GLLPRJLSXHJWBX-RXVVDRJESA-N 2 1 343.515 3.204 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001724205388 1424732481 /nfs/dbraw/zinc/73/24/81/1424732481.db2.gz VKZQZDKGRHUHJW-WIYYLYMNSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@]1(CNC(=O)CCC[NH+]2CCCCC2)CCC[N@@H+](CC2CCC2)C1 ZINC001724342684 1424840876 /nfs/dbraw/zinc/84/08/76/1424840876.db2.gz KWOUTKIFDHRLDE-NRFANRHFSA-N 2 1 349.563 3.271 20 0 EGADMP CC[N@@H+](CCC1CCCC1)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001725025998 1425444575 /nfs/dbraw/zinc/44/45/75/1425444575.db2.gz LGRABMAOIPJONA-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CCC1CCCC1)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001725025998 1425444577 /nfs/dbraw/zinc/44/45/77/1425444577.db2.gz LGRABMAOIPJONA-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CCC1CCCC1)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001725025998 1425444583 /nfs/dbraw/zinc/44/45/83/1425444583.db2.gz LGRABMAOIPJONA-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC001725151249 1425637040 /nfs/dbraw/zinc/63/70/40/1425637040.db2.gz VWLDNQJYGZJZSE-MSOLQXFVSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001725151551 1425637203 /nfs/dbraw/zinc/63/72/03/1425637203.db2.gz VWLDNQJYGZJZSE-ROUUACIJSA-N 2 1 345.531 3.164 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)c1ccccc1 ZINC001725182180 1425708911 /nfs/dbraw/zinc/70/89/11/1425708911.db2.gz BEOFLOSYVBSPCQ-IAGOWNOFSA-N 2 1 342.487 3.169 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)c1ccccc1 ZINC001725182180 1425708914 /nfs/dbraw/zinc/70/89/14/1425708914.db2.gz BEOFLOSYVBSPCQ-IAGOWNOFSA-N 2 1 342.487 3.169 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C[NH2+]Cc1csc(C)c1)C(C)(C)C ZINC001725754143 1426433814 /nfs/dbraw/zinc/43/38/14/1426433814.db2.gz HHSRUNNFLWRSDG-INIZCTEOSA-N 2 1 339.549 3.019 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+]([C@H](C)c1ccccc1)CC2 ZINC001731384588 1427326462 /nfs/dbraw/zinc/32/64/62/1427326462.db2.gz DNQBZWWZWIUREF-IEBWSBKVSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001731461446 1427437410 /nfs/dbraw/zinc/43/74/10/1427437410.db2.gz PYNWTVNCYSDUHJ-FRYIKTPZSA-N 2 1 345.531 3.208 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccc(C)cc1C ZINC001731542323 1427552640 /nfs/dbraw/zinc/55/26/40/1427552640.db2.gz GMRBKFZXCJIIIN-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)cc1C ZINC001731542323 1427552643 /nfs/dbraw/zinc/55/26/43/1427552643.db2.gz GMRBKFZXCJIIIN-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C)cc1C ZINC001731542323 1427552647 /nfs/dbraw/zinc/55/26/47/1427552647.db2.gz GMRBKFZXCJIIIN-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001733761735 1429977361 /nfs/dbraw/zinc/97/73/61/1429977361.db2.gz ADYXVKQRPXOYJQ-AZUAARDMSA-N 2 1 345.531 3.369 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1CCC1CCCC1 ZINC001733899307 1437717058 /nfs/dbraw/zinc/71/70/58/1437717058.db2.gz GWPBSJSPQCOOMD-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001734065890 1437860975 /nfs/dbraw/zinc/86/09/75/1437860975.db2.gz NISGXHAQJIETLW-RBUKOAKNSA-N 2 1 345.531 3.369 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001734404659 1438084080 /nfs/dbraw/zinc/08/40/80/1438084080.db2.gz CMHBRIDSKCPXFG-YLJYHZDGSA-N 2 1 345.531 3.134 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001734404659 1438084081 /nfs/dbraw/zinc/08/40/81/1438084081.db2.gz CMHBRIDSKCPXFG-YLJYHZDGSA-N 2 1 345.531 3.134 20 0 EGADMP CCCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001752512129 1440190396 /nfs/dbraw/zinc/19/03/96/1440190396.db2.gz AYGAMURBQSTUOG-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H](C[N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001752525761 1440192832 /nfs/dbraw/zinc/19/28/32/1440192832.db2.gz ODAOPTXKHVEOIW-OALUTQOASA-N 2 1 345.531 3.258 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H](C[N@@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001752525761 1440192833 /nfs/dbraw/zinc/19/28/33/1440192833.db2.gz ODAOPTXKHVEOIW-OALUTQOASA-N 2 1 345.531 3.258 20 0 EGADMP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001752639526 1440197485 /nfs/dbraw/zinc/19/74/85/1440197485.db2.gz NYCVUWIHBMFBEC-VJANTYMQSA-N 2 1 337.552 3.026 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001752686800 1440199974 /nfs/dbraw/zinc/19/99/74/1440199974.db2.gz AZWBRFCMYGHBRN-YOQCTACHSA-N 2 1 335.536 3.066 20 0 EGADMP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC001752833536 1440226528 /nfs/dbraw/zinc/22/65/28/1440226528.db2.gz HDXIQRGSTDYLSV-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001752836914 1440228251 /nfs/dbraw/zinc/22/82/51/1440228251.db2.gz PYXOMBOHDCLGLK-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001752845810 1440232239 /nfs/dbraw/zinc/23/22/39/1440232239.db2.gz AAMOKTNHHPRCFL-CFXMGXPISA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001753000624 1440264507 /nfs/dbraw/zinc/26/45/07/1440264507.db2.gz SULJRXTYEVFNNR-MJGOQNOKSA-N 2 1 331.504 3.011 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)[C@H](C)c2ccccc2)C1 ZINC001753000624 1440264508 /nfs/dbraw/zinc/26/45/08/1440264508.db2.gz SULJRXTYEVFNNR-MJGOQNOKSA-N 2 1 331.504 3.011 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)c2ccccc2)C1 ZINC001753000624 1440264509 /nfs/dbraw/zinc/26/45/09/1440264509.db2.gz SULJRXTYEVFNNR-MJGOQNOKSA-N 2 1 331.504 3.011 20 0 EGADMP C[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)CC1CCC(C)(C)CC1 ZINC001753059494 1440282762 /nfs/dbraw/zinc/28/27/62/1440282762.db2.gz KFQBQEBHQJNSOU-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)CC1CCCCC1 ZINC001753091283 1440299326 /nfs/dbraw/zinc/29/93/26/1440299326.db2.gz PMMCOYIFBMTUBY-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1F)[NH+](CC)CC ZINC001753112245 1440308936 /nfs/dbraw/zinc/30/89/36/1440308936.db2.gz YPKQKEFITOWMKS-MJGOQNOKSA-N 2 1 349.494 3.027 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1F)[NH+](CC)CC ZINC001753112245 1440308937 /nfs/dbraw/zinc/30/89/37/1440308937.db2.gz YPKQKEFITOWMKS-MJGOQNOKSA-N 2 1 349.494 3.027 20 0 EGADMP CCC(CC)C[N@@H+](CCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001753157746 1440331933 /nfs/dbraw/zinc/33/19/33/1440331933.db2.gz WEOBVLJSGYARJI-UHFFFAOYSA-N 2 1 342.487 3.273 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC/C=C/c1ccccc1 ZINC001753265323 1440344741 /nfs/dbraw/zinc/34/47/41/1440344741.db2.gz BAZODRFZXFFRGC-NBSXQYNISA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CCC1)c1ccccc1 ZINC001753298528 1440353351 /nfs/dbraw/zinc/35/33/51/1440353351.db2.gz JDZCWXPJNKJAFJ-WOJBJXKFSA-N 2 1 343.515 3.106 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001753368578 1440386698 /nfs/dbraw/zinc/38/66/98/1440386698.db2.gz XWIKHJOZLJUYNQ-VAMGGRTRSA-N 2 1 345.531 3.305 20 0 EGADMP CCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001753439586 1440401168 /nfs/dbraw/zinc/40/11/68/1440401168.db2.gz OWWANCMBXDDYSP-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP CCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001753439586 1440401169 /nfs/dbraw/zinc/40/11/69/1440401169.db2.gz OWWANCMBXDDYSP-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP CCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001753439586 1440401170 /nfs/dbraw/zinc/40/11/70/1440401170.db2.gz OWWANCMBXDDYSP-MOPGFXCFSA-N 2 1 335.536 3.116 20 0 EGADMP CCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001753439587 1440401329 /nfs/dbraw/zinc/40/13/29/1440401329.db2.gz OWWANCMBXDDYSP-OALUTQOASA-N 2 1 335.536 3.116 20 0 EGADMP CCCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001753439587 1440401330 /nfs/dbraw/zinc/40/13/30/1440401330.db2.gz OWWANCMBXDDYSP-OALUTQOASA-N 2 1 335.536 3.116 20 0 EGADMP CCCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001753439587 1440401331 /nfs/dbraw/zinc/40/13/31/1440401331.db2.gz OWWANCMBXDDYSP-OALUTQOASA-N 2 1 335.536 3.116 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001753450197 1440405788 /nfs/dbraw/zinc/40/57/88/1440405788.db2.gz ODXJSPVULNPISS-ICSRJNTNSA-N 2 1 343.515 3.156 20 0 EGADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[NH2+]Cc1c(C)cccc1C ZINC001753471388 1440413955 /nfs/dbraw/zinc/41/39/55/1440413955.db2.gz LUPQCFXNZICWDN-QUCCMNQESA-N 2 1 345.531 3.161 20 0 EGADMP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC/C=C/c1ccccc1 ZINC001753484675 1440417459 /nfs/dbraw/zinc/41/74/59/1440417459.db2.gz QHUSMYUVEFWGCE-LVLBXJPDSA-N 2 1 343.515 3.059 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CCC2CCCCCC2)CCCC1 ZINC001753501766 1440423392 /nfs/dbraw/zinc/42/33/92/1440423392.db2.gz WKBORXHYNKGRDR-IBGZPJMESA-N 2 1 349.563 3.460 20 0 EGADMP CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001753559925 1440436757 /nfs/dbraw/zinc/43/67/57/1440436757.db2.gz XRXVDEMINGIPRZ-UYAOXDASSA-N 2 1 345.531 3.308 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCC1 ZINC001753699832 1440468164 /nfs/dbraw/zinc/46/81/64/1440468164.db2.gz DKCGWYUUXFTWMG-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1CCCC1 ZINC001753699831 1440468242 /nfs/dbraw/zinc/46/82/42/1440468242.db2.gz DKCGWYUUXFTWMG-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001753712244 1440471000 /nfs/dbraw/zinc/47/10/00/1440471000.db2.gz HBURVBHVDMXVDV-QGZVFWFLSA-N 2 1 347.547 3.163 20 0 EGADMP CCc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001753729681 1440475402 /nfs/dbraw/zinc/47/54/02/1440475402.db2.gz PGLSBVPJPDNHMH-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CC(C)C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001753734684 1440477349 /nfs/dbraw/zinc/47/73/49/1440477349.db2.gz GWEHWENZJSFPFJ-PMACEKPBSA-N 2 1 345.531 3.180 20 0 EGADMP C[N@@H+](CCC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1)CC1CCCC1 ZINC001753823388 1440497265 /nfs/dbraw/zinc/49/72/65/1440497265.db2.gz GXSGYNWACPUSTB-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1)CC1CCCC1 ZINC001753823388 1440497266 /nfs/dbraw/zinc/49/72/66/1440497266.db2.gz GXSGYNWACPUSTB-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1)CC1CCCC1 ZINC001753823388 1440497267 /nfs/dbraw/zinc/49/72/67/1440497267.db2.gz GXSGYNWACPUSTB-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001753860887 1440511400 /nfs/dbraw/zinc/51/14/00/1440511400.db2.gz NEPJLEPTBOKPFE-BQFCYCMXSA-N 2 1 349.494 3.007 20 0 EGADMP C[C@@H](c1cccc(F)c1)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753860887 1440511401 /nfs/dbraw/zinc/51/14/01/1440511401.db2.gz NEPJLEPTBOKPFE-BQFCYCMXSA-N 2 1 349.494 3.007 20 0 EGADMP C[C@@H](c1cccc(F)c1)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001753860887 1440511402 /nfs/dbraw/zinc/51/14/02/1440511402.db2.gz NEPJLEPTBOKPFE-BQFCYCMXSA-N 2 1 349.494 3.007 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]CC[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001753971153 1440527175 /nfs/dbraw/zinc/52/71/75/1440527175.db2.gz SLPYZUJIJGTPJF-MSOLQXFVSA-N 2 1 345.531 3.333 20 0 EGADMP Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001754006769 1440530898 /nfs/dbraw/zinc/53/08/98/1440530898.db2.gz BGKVEKOWAAWSOA-AZUAARDMSA-N 2 1 345.531 3.242 20 0 EGADMP C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C)c1cccc2ccccc21 ZINC001754278801 1440562812 /nfs/dbraw/zinc/56/28/12/1440562812.db2.gz MOGFABFCZMDQOB-RZQQEMMASA-N 2 1 339.483 3.089 20 0 EGADMP C[C@@H](C[N@@H+](C)CC1CCC2(CC2)CC1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001754322729 1440578757 /nfs/dbraw/zinc/57/87/57/1440578757.db2.gz DVHWFAWFLUXLEP-LNLFQRSKSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H](C[NH+](C)CC1CCC2(CC2)CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001754322729 1440578758 /nfs/dbraw/zinc/57/87/58/1440578758.db2.gz DVHWFAWFLUXLEP-LNLFQRSKSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H](C[NH+](C)CC1CCC2(CC2)CC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001754322729 1440578759 /nfs/dbraw/zinc/57/87/59/1440578759.db2.gz DVHWFAWFLUXLEP-LNLFQRSKSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H](C[N@@H+](C)[C@@H](C)c1ccccc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001754336671 1440586678 /nfs/dbraw/zinc/58/66/78/1440586678.db2.gz OIPWMERDJYWBEH-IRXDYDNUSA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001754578513 1440638374 /nfs/dbraw/zinc/63/83/74/1440638374.db2.gz KHLMMHYRYXSHFA-AZUAARDMSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001754578513 1440638375 /nfs/dbraw/zinc/63/83/75/1440638375.db2.gz KHLMMHYRYXSHFA-AZUAARDMSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)CCC[NH+]1CCC(C)(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001754627752 1440646759 /nfs/dbraw/zinc/64/67/59/1440646759.db2.gz XHRFMJWEZPPJEJ-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CC[N@H+](CCC2CCCCCC2)C1 ZINC001754676362 1440660311 /nfs/dbraw/zinc/66/03/11/1440660311.db2.gz JOIICJYYSVYPTQ-HXUWFJFHSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CC[N@@H+](CCC2CCCCCC2)C1 ZINC001754676362 1440660312 /nfs/dbraw/zinc/66/03/12/1440660312.db2.gz JOIICJYYSVYPTQ-HXUWFJFHSA-N 2 1 346.519 3.133 20 0 EGADMP C[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001754680112 1440661673 /nfs/dbraw/zinc/66/16/73/1440661673.db2.gz HDNBGUCQVWSFSR-LPHOPBHVSA-N 2 1 349.544 3.093 20 0 EGADMP CCCC[NH+]1CCC(C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001754722430 1440673940 /nfs/dbraw/zinc/67/39/40/1440673940.db2.gz WHRYLKMSSWQMAA-LJQANCHMSA-N 2 1 345.531 3.308 20 0 EGADMP CC[C@H](C(=O)NC[C@]1(C)CCC[N@@H+](CC=C(C)C)C1)[NH+](CC)CC ZINC001754730249 1440678642 /nfs/dbraw/zinc/67/86/42/1440678642.db2.gz DKSPZBWYVLKRIM-QUCCMNQESA-N 2 1 337.552 3.291 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+](CC2CCCCC2)C1 ZINC001754733562 1440681054 /nfs/dbraw/zinc/68/10/54/1440681054.db2.gz NBJOWUAUPITNMU-HXUWFJFHSA-N 2 1 337.552 3.127 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)CCC1 ZINC001754831860 1440695729 /nfs/dbraw/zinc/69/57/29/1440695729.db2.gz RPBJRYARKZGXLN-BCDXTJNWSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC001754980539 1440721220 /nfs/dbraw/zinc/72/12/20/1440721220.db2.gz HKLSBWWYDXFDPQ-SFHVURJKSA-N 2 1 349.563 3.460 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCC3CCCCCC3)CCC2)CC[N@H+]1C ZINC001754980785 1440721227 /nfs/dbraw/zinc/72/12/27/1440721227.db2.gz QZOOSFYJPYLIII-IEBWSBKVSA-N 2 1 349.563 3.316 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001755034767 1440733439 /nfs/dbraw/zinc/73/34/39/1440733439.db2.gz YNIXMTHURIZCGV-HXUWFJFHSA-N 2 1 349.563 3.413 20 0 EGADMP Cc1c(C(=O)N(C)CCC[N@@H+](C)CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001755039772 1440736383 /nfs/dbraw/zinc/73/63/83/1440736383.db2.gz COLCEHCTGDUCGI-UHFFFAOYSA-N 2 1 344.503 3.473 20 0 EGADMP CN(CCC[N@@H+](C)CCC1CCCCC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001755044162 1440739333 /nfs/dbraw/zinc/73/93/33/1440739333.db2.gz OCNCYVVEZWMNFN-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CN(CCC[NH+](C)CCC1CCCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001755044162 1440739334 /nfs/dbraw/zinc/73/93/34/1440739334.db2.gz OCNCYVVEZWMNFN-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CN(CCC[NH+](C)CCC1CCCCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001755044162 1440739335 /nfs/dbraw/zinc/73/93/35/1440739335.db2.gz OCNCYVVEZWMNFN-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@H]2CCC[NH+](CCC3CC3)C2)C1 ZINC001755048080 1440742456 /nfs/dbraw/zinc/74/24/56/1440742456.db2.gz UANPDZPSGTXCPJ-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](CCC3CC3)C2)C1 ZINC001755048080 1440742457 /nfs/dbraw/zinc/74/24/57/1440742457.db2.gz UANPDZPSGTXCPJ-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+](CCC3CC3)C2)C1 ZINC001755048080 1440742458 /nfs/dbraw/zinc/74/24/58/1440742458.db2.gz UANPDZPSGTXCPJ-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CCC1([NH2+]CCC(C)C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001755071507 1440746752 /nfs/dbraw/zinc/74/67/52/1440746752.db2.gz WOASRUBUPWNSNA-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(CC)([NH2+]Cc2ccccc2C)CC1 ZINC001755073409 1440747505 /nfs/dbraw/zinc/74/75/05/1440747505.db2.gz SPXXASFODWDUCI-UHFFFAOYSA-N 2 1 345.531 3.198 20 0 EGADMP CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001755134974 1440757987 /nfs/dbraw/zinc/75/79/87/1440757987.db2.gz BGNBNFXJBQYGOV-IPLHWJFFSA-N 2 1 335.536 3.045 20 0 EGADMP CC[N@@H+](CC(C)C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001755183725 1440772047 /nfs/dbraw/zinc/77/20/47/1440772047.db2.gz PAFPVHPKYSUMAV-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC(C)C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001755183725 1440772048 /nfs/dbraw/zinc/77/20/48/1440772048.db2.gz PAFPVHPKYSUMAV-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC(C)C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001755183725 1440772049 /nfs/dbraw/zinc/77/20/49/1440772049.db2.gz PAFPVHPKYSUMAV-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001755194184 1440775995 /nfs/dbraw/zinc/77/59/95/1440775995.db2.gz OUOLCICCMOBJCK-GOSISDBHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+](C)C[C@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001755194184 1440775996 /nfs/dbraw/zinc/77/59/96/1440775996.db2.gz OUOLCICCMOBJCK-GOSISDBHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+](C)C[C@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001755194184 1440775997 /nfs/dbraw/zinc/77/59/97/1440775997.db2.gz OUOLCICCMOBJCK-GOSISDBHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH2+]C1CCC(N(C)C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001755274687 1440798623 /nfs/dbraw/zinc/79/86/23/1440798623.db2.gz FAJCBWQIUXXRSJ-UHFFFAOYSA-N 2 1 337.552 3.409 20 0 EGADMP CC(C)CCC[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001755275817 1440799007 /nfs/dbraw/zinc/79/90/07/1440799007.db2.gz IJRKRWBPFNPKQC-LMDPOFIKSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001755275948 1440799017 /nfs/dbraw/zinc/79/90/17/1440799017.db2.gz MOGRJFHYCHLKKQ-VIQWUECVSA-N 2 1 337.552 3.268 20 0 EGADMP CN(CC(C)(C)C[NH2+]Cc1ccccc1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001755282431 1440801042 /nfs/dbraw/zinc/80/10/42/1440801042.db2.gz RQEAPYDGYFDEPH-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP CCCCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001755300682 1440808387 /nfs/dbraw/zinc/80/83/87/1440808387.db2.gz VWLMPHMDRBWOBZ-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755300682 1440808388 /nfs/dbraw/zinc/80/83/88/1440808388.db2.gz VWLMPHMDRBWOBZ-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755300682 1440808389 /nfs/dbraw/zinc/80/83/89/1440808389.db2.gz VWLMPHMDRBWOBZ-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCCC(C)(C)C)CC2 ZINC001755312895 1440813999 /nfs/dbraw/zinc/81/39/99/1440813999.db2.gz JJRYZTGMSMQPGR-RDJZCZTQSA-N 2 1 348.535 3.017 20 0 EGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CCCC(C)(C)C)CC2 ZINC001755312895 1440814000 /nfs/dbraw/zinc/81/40/00/1440814000.db2.gz JJRYZTGMSMQPGR-RDJZCZTQSA-N 2 1 348.535 3.017 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CC3CC(C)(C)C3)CCCCC2)CC[N@H+]1C ZINC001755350718 1440827747 /nfs/dbraw/zinc/82/77/47/1440827747.db2.gz DGCAWFGEWJJJEN-SJLPKXTDSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001755368482 1440836146 /nfs/dbraw/zinc/83/61/46/1440836146.db2.gz RXDNMQFYQVDDJS-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[NH+]([C@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755415450 1440848277 /nfs/dbraw/zinc/84/82/77/1440848277.db2.gz INVKRWYQNWZJOL-QAPCUYQASA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[N@@H+]([C@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755415450 1440848278 /nfs/dbraw/zinc/84/82/78/1440848278.db2.gz INVKRWYQNWZJOL-QAPCUYQASA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[N@H+]([C@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755415450 1440848279 /nfs/dbraw/zinc/84/82/79/1440848279.db2.gz INVKRWYQNWZJOL-QAPCUYQASA-N 2 1 349.494 3.054 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001755451126 1440853371 /nfs/dbraw/zinc/85/33/71/1440853371.db2.gz BFMVLXBJTPTNEH-HSALFYBXSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001755454274 1440854815 /nfs/dbraw/zinc/85/48/15/1440854815.db2.gz ZBGPLLHKNMHKBX-BCEYDMKGSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)C[C@H]2C1 ZINC001755454274 1440854816 /nfs/dbraw/zinc/85/48/16/1440854816.db2.gz ZBGPLLHKNMHKBX-BCEYDMKGSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@H]2C1 ZINC001755454274 1440854817 /nfs/dbraw/zinc/85/48/17/1440854817.db2.gz ZBGPLLHKNMHKBX-BCEYDMKGSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)CCC[N@H+]1CCCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001755457060 1440856080 /nfs/dbraw/zinc/85/60/80/1440856080.db2.gz LOYNOKFGMZQEAR-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001755519629 1440864797 /nfs/dbraw/zinc/86/47/97/1440864797.db2.gz BHRQAPBQPUZDDQ-MOPGFXCFSA-N 2 1 345.531 3.020 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@H+](C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001755535448 1440868965 /nfs/dbraw/zinc/86/89/65/1440868965.db2.gz JZPZMVUDYWNQCH-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001755535448 1440868966 /nfs/dbraw/zinc/86/89/66/1440868966.db2.gz JZPZMVUDYWNQCH-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001755571149 1440876853 /nfs/dbraw/zinc/87/68/53/1440876853.db2.gz OBXLHYKVTBRZHG-VQTJNVASSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)N(CC[N@@H+](C)CC1CCCCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001755817695 1440924607 /nfs/dbraw/zinc/92/46/07/1440924607.db2.gz VLXOZTZXODRQOZ-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH2+][C@@H]1CCc2ccccc21)C(C)(C)C ZINC001755836364 1440930309 /nfs/dbraw/zinc/93/03/09/1440930309.db2.gz SDAUCSAROSXJMF-RTBURBONSA-N 2 1 345.531 3.136 20 0 EGADMP Cc1cc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)n(C)n1 ZINC000368497166 168364661 /nfs/dbraw/zinc/36/46/61/168364661.db2.gz WFNHEMNKCJBWKY-UHFFFAOYSA-N 2 1 326.488 3.261 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1CCC2(CCCCC2)O1 ZINC000342629612 282215886 /nfs/dbraw/zinc/21/58/86/282215886.db2.gz HWGPFMDMFQCQCT-HCXYKTFWSA-N 2 1 336.520 3.052 20 0 EGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)COC(C)(C)O4)CC[C@@H]21 ZINC000186855679 530059103 /nfs/dbraw/zinc/05/91/03/530059103.db2.gz KIAQYFFOWHIVOO-AEFFLSMTSA-N 2 1 330.472 3.248 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)COC(C)(C)O4)CC[C@@H]21 ZINC000186855679 530059104 /nfs/dbraw/zinc/05/91/04/530059104.db2.gz KIAQYFFOWHIVOO-AEFFLSMTSA-N 2 1 330.472 3.248 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)COC(C)(C)O4)CC[C@@H]21 ZINC000186855679 530059105 /nfs/dbraw/zinc/05/91/05/530059105.db2.gz KIAQYFFOWHIVOO-AEFFLSMTSA-N 2 1 330.472 3.248 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC(C)(C)O4)CC[C@@H]21 ZINC000186855679 530059106 /nfs/dbraw/zinc/05/91/06/530059106.db2.gz KIAQYFFOWHIVOO-AEFFLSMTSA-N 2 1 330.472 3.248 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCN(c3ccccc3)CC2)C[C@H](C)O1 ZINC000178038083 232065573 /nfs/dbraw/zinc/06/55/73/232065573.db2.gz RYHDTMOGFYGJSN-KDURUIRLSA-N 2 1 345.531 3.134 20 0 EGADMP C[N@@H+](CCN1CC[NH+](CCc2cccs2)CC1)Cc1ccccc1 ZINC000104088053 219345968 /nfs/dbraw/zinc/34/59/68/219345968.db2.gz LMOWLLDUUUFAQE-UHFFFAOYSA-N 2 1 343.540 3.040 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000130699538 223170646 /nfs/dbraw/zinc/17/06/46/223170646.db2.gz SJFXWNJURJMEBE-UHFFFAOYSA-N 2 1 334.851 3.114 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000130699538 223170648 /nfs/dbraw/zinc/17/06/48/223170648.db2.gz SJFXWNJURJMEBE-UHFFFAOYSA-N 2 1 334.851 3.114 20 0 EGADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193155310 240043059 /nfs/dbraw/zinc/04/30/59/240043059.db2.gz OMMYUGHCQOYLFZ-CVEARBPZSA-N 2 1 328.909 3.259 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(Br)cs1 ZINC000193990790 240390877 /nfs/dbraw/zinc/39/08/77/240390877.db2.gz JKYVSHGPXFDCAU-NSHDSACASA-N 2 1 347.322 3.008 20 0 EGADMP c1cnn(-c2ccc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2)c1 ZINC000246949252 243340366 /nfs/dbraw/zinc/34/03/66/243340366.db2.gz UNOCKPQKANZYPP-RXVVDRJESA-N 2 1 336.483 3.321 20 0 EGADMP c1cnn(-c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2)c1 ZINC000246949252 243340373 /nfs/dbraw/zinc/34/03/73/243340373.db2.gz UNOCKPQKANZYPP-RXVVDRJESA-N 2 1 336.483 3.321 20 0 EGADMP c1cnn(-c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2)c1 ZINC000246949252 243340380 /nfs/dbraw/zinc/34/03/80/243340380.db2.gz UNOCKPQKANZYPP-RXVVDRJESA-N 2 1 336.483 3.321 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000181721923 296146776 /nfs/dbraw/zinc/14/67/76/296146776.db2.gz JEQXUAKVOINKNB-UONOGXRCSA-N 2 1 335.879 3.373 20 0 EGADMP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000262710835 245134556 /nfs/dbraw/zinc/13/45/56/245134556.db2.gz QHCPRYITSRONFC-OXQOHEQNSA-N 2 1 331.504 3.195 20 0 EGADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000351781869 284366600 /nfs/dbraw/zinc/36/66/00/284366600.db2.gz HXAYPYRYFBKYCK-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nnc(-c4ccccc4)o3)C2)CC1 ZINC000377404462 169021354 /nfs/dbraw/zinc/02/13/54/169021354.db2.gz VYNLDMUKPCFUOG-UHFFFAOYSA-N 2 1 326.444 3.044 20 0 EGADMP CC(C)CCn1cccc1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377632530 169051637 /nfs/dbraw/zinc/05/16/37/169051637.db2.gz STLYRURXWJETMT-HXUWFJFHSA-N 2 1 346.563 3.135 20 0 EGADMP CC(C)CCn1cccc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377632530 169051639 /nfs/dbraw/zinc/05/16/39/169051639.db2.gz STLYRURXWJETMT-HXUWFJFHSA-N 2 1 346.563 3.135 20 0 EGADMP C[C@@H](CCc1cccc(F)c1)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377631856 169051714 /nfs/dbraw/zinc/05/17/14/169051714.db2.gz RRSBHEHUPQVXSN-UWJYYQICSA-N 2 1 347.522 3.247 20 0 EGADMP C[N@H+]1CCC[C@H](N2CCN(Cc3cnc(C4CCCC4)s3)CC2)C1 ZINC000378351560 169106232 /nfs/dbraw/zinc/10/62/32/169106232.db2.gz AHKRGBPZONIYBJ-KRWDZBQOSA-N 2 1 348.560 3.013 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OC(C)C ZINC000092043139 218109574 /nfs/dbraw/zinc/10/95/74/218109574.db2.gz HCTCOCPLHACBAQ-MSOLQXFVSA-N 2 1 332.488 3.399 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OC(C)C ZINC000092043139 218109577 /nfs/dbraw/zinc/10/95/77/218109577.db2.gz HCTCOCPLHACBAQ-MSOLQXFVSA-N 2 1 332.488 3.399 20 0 EGADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OC(C)C ZINC000092043139 218109579 /nfs/dbraw/zinc/10/95/79/218109579.db2.gz HCTCOCPLHACBAQ-MSOLQXFVSA-N 2 1 332.488 3.399 20 0 EGADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1OC(C)C ZINC000092043139 218109581 /nfs/dbraw/zinc/10/95/81/218109581.db2.gz HCTCOCPLHACBAQ-MSOLQXFVSA-N 2 1 332.488 3.399 20 0 EGADMP COc1ccc(OC(F)F)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000093088945 218193469 /nfs/dbraw/zinc/19/34/69/218193469.db2.gz ZSNYTTVSGCZHJH-UHFFFAOYSA-N 2 1 328.403 3.070 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1-n1cncn1 ZINC000093563662 218233188 /nfs/dbraw/zinc/23/31/88/218233188.db2.gz GZROCINZHDFELI-IBGZPJMESA-N 2 1 339.487 3.026 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184229621 296312817 /nfs/dbraw/zinc/31/28/17/296312817.db2.gz BCBISTKOWPENSQ-MOPGFXCFSA-N 2 1 349.563 3.399 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000342751361 296314303 /nfs/dbraw/zinc/31/43/03/296314303.db2.gz ODFUNHIUUQRTKT-UWVAXJGDSA-N 2 1 343.515 3.065 20 0 EGADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267418012 251039937 /nfs/dbraw/zinc/03/99/37/251039937.db2.gz TVOCSAAFYMYWRD-CQSZACIVSA-N 2 1 331.847 3.047 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC000268713906 252163246 /nfs/dbraw/zinc/16/32/46/252163246.db2.gz HXOHUMXGLSWILX-OAHLLOKOSA-N 2 1 332.492 3.351 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H]2CC[NH+](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000268815491 252267663 /nfs/dbraw/zinc/26/76/63/252267663.db2.gz MDVSGSIKKKMMGU-RLLQIKCJSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000268815491 252267667 /nfs/dbraw/zinc/26/76/67/252267667.db2.gz MDVSGSIKKKMMGU-RLLQIKCJSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000268815491 252267672 /nfs/dbraw/zinc/26/76/72/252267672.db2.gz MDVSGSIKKKMMGU-RLLQIKCJSA-N 2 1 327.516 3.113 20 0 EGADMP CCOCCOCc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000268818087 252268516 /nfs/dbraw/zinc/26/85/16/252268516.db2.gz NBNGTRAQZPNUNX-ABSDTBQOSA-N 2 1 334.504 3.058 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000268872543 252321613 /nfs/dbraw/zinc/32/16/13/252321613.db2.gz GLRADIVYUHHAPK-XFBWCDHKSA-N 2 1 331.287 3.347 20 0 EGADMP Cn1c2ccc(Cl)cc2nc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868237 221198570 /nfs/dbraw/zinc/19/85/70/221198570.db2.gz BYNMQYTXOZXFMR-UHFFFAOYSA-N 2 1 334.895 3.390 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000246334643 285313511 /nfs/dbraw/zinc/31/35/11/285313511.db2.gz GJWDZCWGXNQEIW-XUVXKRRUSA-N 2 1 344.499 3.258 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc2ccccc2n1 ZINC000178470488 533340132 /nfs/dbraw/zinc/34/01/32/533340132.db2.gz QFJQWRNSVSFSTB-SJORKVTESA-N 2 1 339.483 3.386 20 0 EGADMP COc1c(Br)cccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000187119486 533384841 /nfs/dbraw/zinc/38/48/41/533384841.db2.gz PNVZPZAOHCUNRB-LBPRGKRZSA-N 2 1 339.277 3.032 20 0 EGADMP COc1c(Br)cccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000187119486 533384845 /nfs/dbraw/zinc/38/48/45/533384845.db2.gz PNVZPZAOHCUNRB-LBPRGKRZSA-N 2 1 339.277 3.032 20 0 EGADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C1 ZINC000246864482 141039964 /nfs/dbraw/zinc/03/99/64/141039964.db2.gz CQLVGNNCXHCXGG-MMKMLUHNSA-N 2 1 329.532 3.359 20 0 EGADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C1 ZINC000246864482 141039967 /nfs/dbraw/zinc/03/99/67/141039967.db2.gz CQLVGNNCXHCXGG-MMKMLUHNSA-N 2 1 329.532 3.359 20 0 EGADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C1 ZINC000246864482 141039969 /nfs/dbraw/zinc/03/99/69/141039969.db2.gz CQLVGNNCXHCXGG-MMKMLUHNSA-N 2 1 329.532 3.359 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](CC(C)C)CC2)cc1)C(C)C ZINC000338055424 141083359 /nfs/dbraw/zinc/08/33/59/141083359.db2.gz YUQZPXVNDDJSFA-UHFFFAOYSA-N 2 1 345.531 3.331 20 0 EGADMP Cc1cnc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1C ZINC000341258541 141145694 /nfs/dbraw/zinc/14/56/94/141145694.db2.gz LQHHFPJKBCYBNC-VQIMIIECSA-N 2 1 326.488 3.119 20 0 EGADMP c1n[nH]c2cc(CC[NH2+][C@H]3CCCN(Cc4ccccc4)C3)ccc12 ZINC000342810137 141149821 /nfs/dbraw/zinc/14/98/21/141149821.db2.gz OUKLHDRKJFJJRO-FQEVSTJZSA-N 2 1 334.467 3.360 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@H](C4CCOCC4)C3)sc2C1 ZINC000346199117 141178977 /nfs/dbraw/zinc/17/89/77/141178977.db2.gz LDCOSJAIYPKTNU-INIZCTEOSA-N 2 1 349.544 3.158 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@H](C4CCOCC4)C3)sc2C1 ZINC000346199117 141178978 /nfs/dbraw/zinc/17/89/78/141178978.db2.gz LDCOSJAIYPKTNU-INIZCTEOSA-N 2 1 349.544 3.158 20 0 EGADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@H](C4CCOCC4)C3)sc2C1 ZINC000346199117 141178979 /nfs/dbraw/zinc/17/89/79/141178979.db2.gz LDCOSJAIYPKTNU-INIZCTEOSA-N 2 1 349.544 3.158 20 0 EGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@H](C4CCOCC4)C3)sc2C1 ZINC000346199117 141178980 /nfs/dbraw/zinc/17/89/80/141178980.db2.gz LDCOSJAIYPKTNU-INIZCTEOSA-N 2 1 349.544 3.158 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000348021932 141233406 /nfs/dbraw/zinc/23/34/06/141233406.db2.gz QHTIJXCGSWDTAR-XLIONFOSSA-N 2 1 345.531 3.156 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000352949655 141275705 /nfs/dbraw/zinc/27/57/05/141275705.db2.gz YGSOQRJYVGNFPU-ROUUACIJSA-N 2 1 341.499 3.423 20 0 EGADMP C[N@@H+](CCCNC(=O)Nc1ccn2ccnc2c1)C1CCCCC1 ZINC000353336214 141289326 /nfs/dbraw/zinc/28/93/26/141289326.db2.gz KBWSECWJEMKXTQ-UHFFFAOYSA-N 2 1 329.448 3.110 20 0 EGADMP CN(C)[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000353454608 141299330 /nfs/dbraw/zinc/29/93/30/141299330.db2.gz KUBMLDNOQVQXJQ-CBNMVNINSA-N 2 1 329.532 3.359 20 0 EGADMP C[NH+](C)[C@@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000353454608 141299331 /nfs/dbraw/zinc/29/93/31/141299331.db2.gz KUBMLDNOQVQXJQ-CBNMVNINSA-N 3 1 329.532 3.359 20 0 EGADMP C[NH+](C)[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000353454608 141299332 /nfs/dbraw/zinc/29/93/32/141299332.db2.gz KUBMLDNOQVQXJQ-CBNMVNINSA-N 3 1 329.532 3.359 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@@H]4C4CC4)[C@H]3C2)cc1 ZINC000356825750 141349635 /nfs/dbraw/zinc/34/96/35/141349635.db2.gz AQFIAZWMMYSGGM-ALGQRKQJSA-N 2 1 326.484 3.054 20 0 EGADMP Fc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)nc1 ZINC000356841466 141352569 /nfs/dbraw/zinc/35/25/69/141352569.db2.gz FVROREVJONNJSZ-NSISKUIASA-N 2 1 325.431 3.221 20 0 EGADMP Fc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)nc1 ZINC000356841466 141352570 /nfs/dbraw/zinc/35/25/70/141352570.db2.gz FVROREVJONNJSZ-NSISKUIASA-N 2 1 325.431 3.221 20 0 EGADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000358009172 141378921 /nfs/dbraw/zinc/37/89/21/141378921.db2.gz CKEVHSPDTNYPKM-OXQOHEQNSA-N 2 1 326.488 3.043 20 0 EGADMP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)nnn1-c1ccccc1 ZINC000359601340 141383049 /nfs/dbraw/zinc/38/30/49/141383049.db2.gz HVXMCUZFLZTAPT-INIZCTEOSA-N 2 1 349.482 3.488 20 0 EGADMP Oc1cc(F)cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000185513884 144114015 /nfs/dbraw/zinc/11/40/15/144114015.db2.gz RWYQZKHTVFHOPN-KRWDZBQOSA-N 2 1 328.431 3.186 20 0 EGADMP Oc1cc(F)cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000185513884 144114017 /nfs/dbraw/zinc/11/40/17/144114017.db2.gz RWYQZKHTVFHOPN-KRWDZBQOSA-N 2 1 328.431 3.186 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)CC[N@H+]1C ZINC000344686440 144209632 /nfs/dbraw/zinc/20/96/32/144209632.db2.gz RRHNEGWHFVEPJI-FUHWJXTLSA-N 2 1 325.456 3.233 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOC(c3ccccc3)c3ccccc3)C[C@@H]12 ZINC000351475178 144266340 /nfs/dbraw/zinc/26/63/40/144266340.db2.gz HQNOYIDYPAUUCD-PWRODBHTSA-N 2 1 336.479 3.462 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C[C@H]12 ZINC000351477554 144266361 /nfs/dbraw/zinc/26/63/61/144266361.db2.gz NQUAIGSTNIRLEF-YZGWKJHDSA-N 2 1 349.478 3.351 20 0 EGADMP Cc1c2ccccc2oc1[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000351583654 144283591 /nfs/dbraw/zinc/28/35/91/144283591.db2.gz UUPKWYUORYITBS-QFBILLFUSA-N 2 1 330.472 3.483 20 0 EGADMP Cc1c2ccccc2oc1[C@H]([NH2+]C[C@H](O)CN(C)C1CC1)C(C)C ZINC000351583654 144283593 /nfs/dbraw/zinc/28/35/93/144283593.db2.gz UUPKWYUORYITBS-QFBILLFUSA-N 2 1 330.472 3.483 20 0 EGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000121187283 152333444 /nfs/dbraw/zinc/33/34/44/152333444.db2.gz YNGKKJFTGNNAHZ-HXUWFJFHSA-N 2 1 332.488 3.161 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000121187283 152333448 /nfs/dbraw/zinc/33/34/48/152333448.db2.gz YNGKKJFTGNNAHZ-HXUWFJFHSA-N 2 1 332.488 3.161 20 0 EGADMP CCN(C)c1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000190726198 153155484 /nfs/dbraw/zinc/15/54/84/153155484.db2.gz TYENTGMLHONGIH-UHFFFAOYSA-N 2 1 338.499 3.076 20 0 EGADMP CCN(C)c1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cn1 ZINC000190726198 153155486 /nfs/dbraw/zinc/15/54/86/153155486.db2.gz TYENTGMLHONGIH-UHFFFAOYSA-N 2 1 338.499 3.076 20 0 EGADMP CC[NH+](CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000192655257 153252965 /nfs/dbraw/zinc/25/29/65/153252965.db2.gz SJFVIYSIFAHMPA-OTYNDTSQSA-N 2 1 329.532 3.154 20 0 EGADMP Cc1cccn2c(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cnc12 ZINC000192929108 153267820 /nfs/dbraw/zinc/26/78/20/153267820.db2.gz QTTVHQZIVUTWBX-LJQANCHMSA-N 2 1 334.467 3.254 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1O ZINC000192933803 153268156 /nfs/dbraw/zinc/26/81/56/153268156.db2.gz WJQKQJDKDIPMJM-SFHVURJKSA-N 2 1 326.440 3.013 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000192933803 153268161 /nfs/dbraw/zinc/26/81/61/153268161.db2.gz WJQKQJDKDIPMJM-SFHVURJKSA-N 2 1 326.440 3.013 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](CNc3cc(N4CCCC4)ncn3)C2)cc1 ZINC000192959181 153270584 /nfs/dbraw/zinc/27/05/84/153270584.db2.gz HGWFWJZKYCJDKV-SFHVURJKSA-N 2 1 337.471 3.011 20 0 EGADMP Cc1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000310443586 154143200 /nfs/dbraw/zinc/14/32/00/154143200.db2.gz WINRCUHTKPHJSG-LJQANCHMSA-N 2 1 326.488 3.120 20 0 EGADMP Cc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000310443586 154143204 /nfs/dbraw/zinc/14/32/04/154143204.db2.gz WINRCUHTKPHJSG-LJQANCHMSA-N 2 1 326.488 3.120 20 0 EGADMP COCc1nc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cs1 ZINC000336874439 154224695 /nfs/dbraw/zinc/22/46/95/154224695.db2.gz WLZWNAWHDJXTRQ-UHFFFAOYSA-N 2 1 337.533 3.378 20 0 EGADMP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000337382131 154323262 /nfs/dbraw/zinc/32/32/62/154323262.db2.gz JQEAFFDOXHVLMO-CVEARBPZSA-N 2 1 332.488 3.017 20 0 EGADMP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000337382133 154323458 /nfs/dbraw/zinc/32/34/58/154323458.db2.gz JQEAFFDOXHVLMO-HZPDHXFCSA-N 2 1 332.488 3.017 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccnc(N(C)C)c2)cc1)C1CC1 ZINC000346916019 156195780 /nfs/dbraw/zinc/19/57/80/156195780.db2.gz GNEQGHOFBVFVOT-UHFFFAOYSA-N 2 1 338.455 3.384 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cc[nH+]c(N(C)C)c2)cc1)C1CC1 ZINC000346916019 156195787 /nfs/dbraw/zinc/19/57/87/156195787.db2.gz GNEQGHOFBVFVOT-UHFFFAOYSA-N 2 1 338.455 3.384 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000349091591 156351602 /nfs/dbraw/zinc/35/16/02/156351602.db2.gz YNLRMNZVPXXDTA-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000352651055 156398717 /nfs/dbraw/zinc/39/87/17/156398717.db2.gz DGPOTTWGGSXADY-JKSUJKDBSA-N 2 1 328.451 3.138 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCC[N@@H+](C(C)C)C3)c(C)n2n1 ZINC000093405353 162008061 /nfs/dbraw/zinc/00/80/61/162008061.db2.gz BNKUTTWQZGZOEC-DOTOQJQBSA-N 2 1 329.492 3.117 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCC[N@H+](C(C)C)C3)c(C)n2n1 ZINC000093405353 162008066 /nfs/dbraw/zinc/00/80/66/162008066.db2.gz BNKUTTWQZGZOEC-DOTOQJQBSA-N 2 1 329.492 3.117 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000093988896 162035425 /nfs/dbraw/zinc/03/54/25/162035425.db2.gz NWRIFUCYATVSDN-FQEVSTJZSA-N 2 1 343.471 3.271 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000093988896 162035428 /nfs/dbraw/zinc/03/54/28/162035428.db2.gz NWRIFUCYATVSDN-FQEVSTJZSA-N 2 1 343.471 3.271 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@H](C)C1 ZINC000126805017 162313501 /nfs/dbraw/zinc/31/35/01/162313501.db2.gz BPLGYLIYPAFAPQ-AOIWGVFYSA-N 3 1 335.561 3.280 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H](C)C1 ZINC000126805017 162313507 /nfs/dbraw/zinc/31/35/07/162313507.db2.gz BPLGYLIYPAFAPQ-AOIWGVFYSA-N 2 1 335.561 3.280 20 0 EGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)Cc3ccccc3)C2)CC1 ZINC000247024360 162924442 /nfs/dbraw/zinc/92/44/42/162924442.db2.gz URNZMXPIJGLCAA-RTWAWAEBSA-N 2 1 330.516 3.034 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(F)ccc1F ZINC000248445035 163005690 /nfs/dbraw/zinc/00/56/90/163005690.db2.gz MIEKCFLHVHMIGC-RDTXWAMCSA-N 2 1 346.421 3.382 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000249116894 163056985 /nfs/dbraw/zinc/05/69/85/163056985.db2.gz SKFMVNCUALOYIL-ZGXWSNOMSA-N 2 1 326.484 3.056 20 0 EGADMP C[C@H](C[C@@H](O)c1ccco1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000305737721 163080909 /nfs/dbraw/zinc/08/09/09/163080909.db2.gz MMXOHDYKBIGFQP-VQIMIIECSA-N 2 1 328.456 3.346 20 0 EGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338582885 163282475 /nfs/dbraw/zinc/28/24/75/163282475.db2.gz UJHSNDOBZDUONM-ROUUACIJSA-N 2 1 343.515 3.133 20 0 EGADMP CCC[C@H](C)[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000338946383 163398814 /nfs/dbraw/zinc/39/88/14/163398814.db2.gz VCGDPFMSSFKWLY-IBGZPJMESA-N 2 1 345.531 3.150 20 0 EGADMP CCC[C@H](C)[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000338946383 163398816 /nfs/dbraw/zinc/39/88/16/163398816.db2.gz VCGDPFMSSFKWLY-IBGZPJMESA-N 2 1 345.531 3.150 20 0 EGADMP CCC[C@H](C)[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000338946383 163398818 /nfs/dbraw/zinc/39/88/18/163398818.db2.gz VCGDPFMSSFKWLY-IBGZPJMESA-N 2 1 345.531 3.150 20 0 EGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000354379184 166013370 /nfs/dbraw/zinc/01/33/70/166013370.db2.gz DXXUIAMHOVVOBT-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000354379184 166013371 /nfs/dbraw/zinc/01/33/71/166013371.db2.gz DXXUIAMHOVVOBT-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000354379184 166013372 /nfs/dbraw/zinc/01/33/72/166013372.db2.gz DXXUIAMHOVVOBT-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC000343757407 164028401 /nfs/dbraw/zinc/02/84/01/164028401.db2.gz PBGUDPKGKFNGDK-SFHVURJKSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC000343757407 164028402 /nfs/dbraw/zinc/02/84/02/164028402.db2.gz PBGUDPKGKFNGDK-SFHVURJKSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000354806994 166036920 /nfs/dbraw/zinc/03/69/20/166036920.db2.gz DSXNFDKSOFBJSK-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000354806994 166036922 /nfs/dbraw/zinc/03/69/22/166036922.db2.gz DSXNFDKSOFBJSK-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000354806994 166036924 /nfs/dbraw/zinc/03/69/24/166036924.db2.gz DSXNFDKSOFBJSK-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000343947333 164071323 /nfs/dbraw/zinc/07/13/23/164071323.db2.gz XLZHOHMQGKVTQQ-SFHVURJKSA-N 2 1 341.455 3.026 20 0 EGADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000344316456 164154641 /nfs/dbraw/zinc/15/46/41/164154641.db2.gz ZYRFNGGAYJTTRZ-MRXNPFEDSA-N 2 1 344.503 3.473 20 0 EGADMP COCc1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000350266106 165024133 /nfs/dbraw/zinc/02/41/33/165024133.db2.gz MIPRZUKJGBTDAG-UHFFFAOYSA-N 2 1 329.444 3.169 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c(Cl)c1 ZINC000350953631 165086049 /nfs/dbraw/zinc/08/60/49/165086049.db2.gz WWGQKDWRZGJXEB-AWEZNQCLSA-N 2 1 337.895 3.249 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352145584 165258416 /nfs/dbraw/zinc/25/84/16/165258416.db2.gz BBMWTCDWHBLZAM-KSZLIROESA-N 2 1 325.541 3.027 20 0 EGADMP C[NH+](C)CC1(C[NH2+][C@H](Cc2ccccn2)c2cccnc2)CCCC1 ZINC000355070723 166099043 /nfs/dbraw/zinc/09/90/43/166099043.db2.gz UBXGPDUUWZYMHV-HXUWFJFHSA-N 2 1 338.499 3.472 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000355196170 166129588 /nfs/dbraw/zinc/12/95/88/166129588.db2.gz DGIZAMHOTQPNAU-CQSZACIVSA-N 2 1 345.409 3.332 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(C(N)=O)c2)CC1)CC1CC1 ZINC000355897296 166340706 /nfs/dbraw/zinc/34/07/06/166340706.db2.gz DJSJNYFZWGZZJQ-UHFFFAOYSA-N 2 1 343.515 3.120 20 0 EGADMP CSc1ccccc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000358044294 166823856 /nfs/dbraw/zinc/82/38/56/166823856.db2.gz FRZZMLXUWCZUDC-ROUUACIJSA-N 2 1 347.572 3.399 20 0 EGADMP COC[C@@H](CC(C)C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000359661994 167204575 /nfs/dbraw/zinc/20/45/75/167204575.db2.gz PZZDOJZRPABBBD-LVCYWYKZSA-N 2 1 348.531 3.447 20 0 EGADMP COCC[NH+]1CCC([NH2+]CCc2c[nH]c3ccc(Cl)cc23)CC1 ZINC000360246166 167281287 /nfs/dbraw/zinc/28/12/87/167281287.db2.gz SPIUOFYWYLBYHK-UHFFFAOYSA-N 2 1 335.879 3.064 20 0 EGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000362483951 167769798 /nfs/dbraw/zinc/76/97/98/167769798.db2.gz HINMDMZKTHLDER-UHFFFAOYSA-N 2 1 349.450 3.290 20 0 EGADMP c1csc(N2CCC([NH2+]C[C@H]3CCC[N@H+]3C3CCCCC3)CC2)n1 ZINC000366637922 168126070 /nfs/dbraw/zinc/12/60/70/168126070.db2.gz ZJQCTFXIAQQOLG-GOSISDBHSA-N 2 1 348.560 3.499 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCC3CCOCC3)CC2)C[C@H](C)O1 ZINC000366741121 168135184 /nfs/dbraw/zinc/13/51/84/168135184.db2.gz TYJRPVNJGJFSQC-HDICACEKSA-N 2 1 338.536 3.014 20 0 EGADMP COc1cc(OC)c(OC)cc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366950562 168159991 /nfs/dbraw/zinc/15/99/91/168159991.db2.gz GKSYMYOEZVWFHE-UHFFFAOYSA-N 2 1 348.487 3.020 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnc([C@H]4CCCO4)s3)C2)CC1 ZINC000366955104 168161157 /nfs/dbraw/zinc/16/11/57/168161157.db2.gz QEDDNFNKKHHXBM-MRXNPFEDSA-N 2 1 335.517 3.302 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnc([C@@H]4CCCO4)s3)C2)CC1 ZINC000366955103 168161661 /nfs/dbraw/zinc/16/16/61/168161661.db2.gz QEDDNFNKKHHXBM-INIZCTEOSA-N 2 1 335.517 3.302 20 0 EGADMP CC(=O)Nc1ccc(C[NH+]2CCC(Nc3cccc(C)[nH+]3)CC2)cc1 ZINC000367467651 168230785 /nfs/dbraw/zinc/23/07/85/168230785.db2.gz SSDAFTJWBCAQQN-UHFFFAOYSA-N 2 1 338.455 3.425 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2)CC1 ZINC000367603459 168248269 /nfs/dbraw/zinc/24/82/69/168248269.db2.gz ZTGDIYQNGWCFSL-FXAWDEMLSA-N 2 1 343.515 3.059 20 0 EGADMP CCSc1cccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000368052705 168304364 /nfs/dbraw/zinc/30/43/64/168304364.db2.gz XWPDIZWUQONSDJ-IBGZPJMESA-N 2 1 347.572 3.399 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@H](C)C1 ZINC000122438977 222088170 /nfs/dbraw/zinc/08/81/70/222088170.db2.gz BCFAEWLIFNFRQN-DNVCBOLYSA-N 2 1 329.488 3.245 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@H](C)C1 ZINC000122438977 222088173 /nfs/dbraw/zinc/08/81/73/222088173.db2.gz BCFAEWLIFNFRQN-DNVCBOLYSA-N 2 1 329.488 3.245 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)c1 ZINC000123872540 222346595 /nfs/dbraw/zinc/34/65/95/222346595.db2.gz ZKNAEOIEHQTXEC-LJQANCHMSA-N 2 1 325.456 3.428 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)c1 ZINC000123872540 222346596 /nfs/dbraw/zinc/34/65/96/222346596.db2.gz ZKNAEOIEHQTXEC-LJQANCHMSA-N 2 1 325.456 3.428 20 0 EGADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000224404389 266197889 /nfs/dbraw/zinc/19/78/89/266197889.db2.gz WGMXMHJLUBXRRL-LSDHHAIUSA-N 2 1 327.513 3.142 20 0 EGADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cc(Br)ccc1F ZINC000258975418 266264430 /nfs/dbraw/zinc/26/44/30/266264430.db2.gz KPFFSQHENMRXIG-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP Cn1c2ccccc2nc1CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000265630498 266271141 /nfs/dbraw/zinc/27/11/41/266271141.db2.gz FGBGSYASTNDVHM-QGZVFWFLSA-N 2 1 326.488 3.066 20 0 EGADMP C[C@H]([NH2+]CCc1nc2ccccc2n1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273318842 267019779 /nfs/dbraw/zinc/01/97/79/267019779.db2.gz WDUIYBSHNAYGRC-IRXDYDNUSA-N 2 1 340.515 3.358 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274919813 267306909 /nfs/dbraw/zinc/30/69/09/267306909.db2.gz LCZGOXBSLBJECS-SCTDSRPQSA-N 2 1 345.531 3.180 20 0 EGADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274966032 267312752 /nfs/dbraw/zinc/31/27/52/267312752.db2.gz XGZBIBVQTTZCGV-VYDXJSESSA-N 2 1 344.421 3.454 20 0 EGADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275507151 267372349 /nfs/dbraw/zinc/37/23/49/267372349.db2.gz JZJDWBPSSUWNOF-IRXDYDNUSA-N 2 1 343.471 3.074 20 0 EGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275507146 267372406 /nfs/dbraw/zinc/37/24/06/267372406.db2.gz JZJDWBPSSUWNOF-DLBZAZTESA-N 2 1 343.471 3.074 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000110822070 273649911 /nfs/dbraw/zinc/64/99/11/273649911.db2.gz LWWJBLDUEADHDZ-QGZVFWFLSA-N 2 1 337.305 3.380 20 0 EGADMP C[NH+](C)CCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000037213720 275123555 /nfs/dbraw/zinc/12/35/55/275123555.db2.gz GDUXRENFBKXQKW-CQSZACIVSA-N 2 1 327.266 3.204 20 0 EGADMP O[C@@H](Cc1ccccc1)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278770151 275273189 /nfs/dbraw/zinc/27/31/89/275273189.db2.gz CITBMDZFXHQMTG-FQEVSTJZSA-N 2 1 339.483 3.002 20 0 EGADMP Fc1ccc([C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c2ccccc2)nc1 ZINC000278987107 275293723 /nfs/dbraw/zinc/29/37/23/275293723.db2.gz PQMPSJOMKLOKMZ-MGPUTAFESA-N 2 1 336.414 3.359 20 0 EGADMP CCN1CC[NH+](CCCC[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367755184 276195149 /nfs/dbraw/zinc/19/51/49/276195149.db2.gz OCZGAMOWPFOANK-IBGZPJMESA-N 2 1 347.551 3.038 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000289269237 276313649 /nfs/dbraw/zinc/31/36/49/276313649.db2.gz OYCODPOIFCFCTL-KRWDZBQOSA-N 2 1 345.487 3.114 20 0 EGADMP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289434607 276338548 /nfs/dbraw/zinc/33/85/48/276338548.db2.gz AEMKYMMRYKCECS-HXUWFJFHSA-N 2 1 340.515 3.429 20 0 EGADMP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289434607 276338549 /nfs/dbraw/zinc/33/85/49/276338549.db2.gz AEMKYMMRYKCECS-HXUWFJFHSA-N 2 1 340.515 3.429 20 0 EGADMP Cc1ccc(-c2ccc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)o2)cc1 ZINC000289484141 276346028 /nfs/dbraw/zinc/34/60/28/276346028.db2.gz QVVGHANOBUDIKD-UHFFFAOYSA-N 2 1 341.499 3.324 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1nccc2ccccc21 ZINC000289544884 276355807 /nfs/dbraw/zinc/35/58/07/276355807.db2.gz BUJLPBQAQHUFAO-SJLPKXTDSA-N 2 1 327.472 3.122 20 0 EGADMP CN(Cc1ccc(-c2cnn(C)c2)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289620718 276367426 /nfs/dbraw/zinc/36/74/26/276367426.db2.gz LOHKPOHCNQJXEE-XYPWUTKMSA-N 2 1 330.501 3.206 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)s2)cn1 ZINC000289620718 276367429 /nfs/dbraw/zinc/36/74/29/276367429.db2.gz LOHKPOHCNQJXEE-XYPWUTKMSA-N 2 1 330.501 3.206 20 0 EGADMP Cn1cc(-c2ccc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)s2)cn1 ZINC000289620718 276367431 /nfs/dbraw/zinc/36/74/31/276367431.db2.gz LOHKPOHCNQJXEE-XYPWUTKMSA-N 2 1 330.501 3.206 20 0 EGADMP Cn1cc(-c2ccc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)s2)cn1 ZINC000289620718 276367432 /nfs/dbraw/zinc/36/74/32/276367432.db2.gz LOHKPOHCNQJXEE-XYPWUTKMSA-N 2 1 330.501 3.206 20 0 EGADMP C[C@H](c1cccnc1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000267331079 278313872 /nfs/dbraw/zinc/31/38/72/278313872.db2.gz AADTVMAIRBSOAG-FGTMMUONSA-N 2 1 331.504 3.354 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NCC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC000355707027 279153715 /nfs/dbraw/zinc/15/37/15/279153715.db2.gz UJSFVRUQXRCNKS-IBGZPJMESA-N 2 1 331.504 3.060 20 0 EGADMP CCN(CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)CC(F)(F)F ZINC000355052306 279183016 /nfs/dbraw/zinc/18/30/16/279183016.db2.gz NWAGUISTGXYNDR-NVXWUHKLSA-N 2 1 347.469 3.209 20 0 EGADMP CCN(CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)CC(F)(F)F ZINC000355052306 279183018 /nfs/dbraw/zinc/18/30/18/279183018.db2.gz NWAGUISTGXYNDR-NVXWUHKLSA-N 2 1 347.469 3.209 20 0 EGADMP CCN(CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)CC(F)(F)F ZINC000355052306 279183019 /nfs/dbraw/zinc/18/30/19/279183019.db2.gz NWAGUISTGXYNDR-NVXWUHKLSA-N 2 1 347.469 3.209 20 0 EGADMP CCN(CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)CC(F)(F)F ZINC000355052306 279183020 /nfs/dbraw/zinc/18/30/20/279183020.db2.gz NWAGUISTGXYNDR-NVXWUHKLSA-N 2 1 347.469 3.209 20 0 EGADMP Cc1noc(C2CCC([NH2+][C@H](C)C[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)n1 ZINC000368378910 279251620 /nfs/dbraw/zinc/25/16/20/279251620.db2.gz SDUFXYMTBGFMRQ-XYUDRNGQSA-N 2 1 334.508 3.360 20 0 EGADMP Cc1noc(C2CCC([NH2+][C@H](C)C[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)n1 ZINC000368378910 279251621 /nfs/dbraw/zinc/25/16/21/279251621.db2.gz SDUFXYMTBGFMRQ-XYUDRNGQSA-N 2 1 334.508 3.360 20 0 EGADMP CN1CC[C@@H](C[NH2+]C2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000090936785 290128496 /nfs/dbraw/zinc/12/84/96/290128496.db2.gz WPNMIGDDUBVSRW-KBXCAEBGSA-N 2 1 339.886 3.156 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261855874 290393118 /nfs/dbraw/zinc/39/31/18/290393118.db2.gz NWHHDADVVZXYSC-ZWKOTPCHSA-N 2 1 343.515 3.067 20 0 EGADMP C[NH+](C)Cc1cccc(NC(=O)NCC[N@@H+](C)Cc2ccccc2)c1 ZINC000054408444 307338028 /nfs/dbraw/zinc/33/80/28/307338028.db2.gz RGIJAGRVUBJGTP-UHFFFAOYSA-N 2 1 340.471 3.002 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)nn1C ZINC000414280544 309070416 /nfs/dbraw/zinc/07/04/16/309070416.db2.gz DETFOMILBPAALW-IRXDYDNUSA-N 2 1 340.515 3.496 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000414373793 309076191 /nfs/dbraw/zinc/07/61/91/309076191.db2.gz ZXGZJOFGDIWRGT-QZTJIDSGSA-N 2 1 330.451 3.282 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000248405287 308002174 /nfs/dbraw/zinc/00/21/74/308002174.db2.gz RDHMZISFDGEVKW-CIAFKFPVSA-N 3 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248405287 308002175 /nfs/dbraw/zinc/00/21/75/308002175.db2.gz RDHMZISFDGEVKW-CIAFKFPVSA-N 3 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248405287 308002176 /nfs/dbraw/zinc/00/21/76/308002176.db2.gz RDHMZISFDGEVKW-CIAFKFPVSA-N 3 1 341.543 3.219 20 0 EGADMP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000248405287 308002177 /nfs/dbraw/zinc/00/21/77/308002177.db2.gz RDHMZISFDGEVKW-CIAFKFPVSA-N 2 1 341.543 3.219 20 0 EGADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000248405287 308002178 /nfs/dbraw/zinc/00/21/78/308002178.db2.gz RDHMZISFDGEVKW-CIAFKFPVSA-N 2 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248405287 308002179 /nfs/dbraw/zinc/00/21/79/308002179.db2.gz RDHMZISFDGEVKW-CIAFKFPVSA-N 2 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248405287 308002180 /nfs/dbraw/zinc/00/21/80/308002180.db2.gz RDHMZISFDGEVKW-CIAFKFPVSA-N 2 1 341.543 3.219 20 0 EGADMP CC(C)(C)C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248417573 308002693 /nfs/dbraw/zinc/00/26/93/308002693.db2.gz RLGQUNKLPLUCRX-UAFMIMERSA-N 2 1 330.516 3.284 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000248853167 308013310 /nfs/dbraw/zinc/01/33/10/308013310.db2.gz VAVUKSNBCJEESH-KZNAEPCWSA-N 2 1 348.535 3.051 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000248853167 308013311 /nfs/dbraw/zinc/01/33/11/308013311.db2.gz VAVUKSNBCJEESH-KZNAEPCWSA-N 2 1 348.535 3.051 20 0 EGADMP CC(C)c1nc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cs1 ZINC000249024544 308017205 /nfs/dbraw/zinc/01/72/05/308017205.db2.gz REWSYSOGFKSUTK-CABCVRRESA-N 2 1 325.522 3.154 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255163353 308042503 /nfs/dbraw/zinc/04/25/03/308042503.db2.gz SZUKNCCRXVAHOE-HMVHIAHLSA-N 2 1 327.516 3.190 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255163353 308042505 /nfs/dbraw/zinc/04/25/05/308042505.db2.gz SZUKNCCRXVAHOE-HMVHIAHLSA-N 2 1 327.516 3.190 20 0 EGADMP CCc1nnc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000293404696 308127519 /nfs/dbraw/zinc/12/75/19/308127519.db2.gz ROMOKFUUGXPHLA-UHFFFAOYSA-N 2 1 340.471 3.120 20 0 EGADMP CCc1nnc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000293404696 308127520 /nfs/dbraw/zinc/12/75/20/308127520.db2.gz ROMOKFUUGXPHLA-UHFFFAOYSA-N 2 1 340.471 3.120 20 0 EGADMP CC(C)[N@@H+](C)CCCN[C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000293759717 308159185 /nfs/dbraw/zinc/15/91/85/308159185.db2.gz OVTUBHKIFPGOOI-INIZCTEOSA-N 2 1 333.476 3.414 20 0 EGADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000293759717 308159186 /nfs/dbraw/zinc/15/91/86/308159186.db2.gz OVTUBHKIFPGOOI-INIZCTEOSA-N 2 1 333.476 3.414 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000293759717 308159187 /nfs/dbraw/zinc/15/91/87/308159187.db2.gz OVTUBHKIFPGOOI-INIZCTEOSA-N 2 1 333.476 3.414 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000293919304 308174013 /nfs/dbraw/zinc/17/40/13/308174013.db2.gz PGQJFEAUDZFNDA-NRFANRHFSA-N 2 1 343.515 3.086 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000293919304 308174014 /nfs/dbraw/zinc/17/40/14/308174014.db2.gz PGQJFEAUDZFNDA-NRFANRHFSA-N 2 1 343.515 3.086 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000293919304 308174015 /nfs/dbraw/zinc/17/40/15/308174015.db2.gz PGQJFEAUDZFNDA-NRFANRHFSA-N 2 1 343.515 3.086 20 0 EGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000294063601 308187088 /nfs/dbraw/zinc/18/70/88/308187088.db2.gz HIRYZBGTKXGIEB-APWZRJJASA-N 2 1 348.487 3.015 20 0 EGADMP Cc1cc(N2CCC([NH2+]Cc3cccc(C)c3F)CC2)nc(C)[nH+]1 ZINC000295463162 308329522 /nfs/dbraw/zinc/32/95/22/308329522.db2.gz RBNBUPNCDUGOQB-UHFFFAOYSA-N 2 1 328.435 3.300 20 0 EGADMP OC[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000295897521 308372173 /nfs/dbraw/zinc/37/21/73/308372173.db2.gz YUQIWZFHOZWBPK-ZGJYDULXSA-N 2 1 342.527 3.428 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706321 309096403 /nfs/dbraw/zinc/09/64/03/309096403.db2.gz LPRKLBVZWHKPOV-NMIHRBCNSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706321 309096404 /nfs/dbraw/zinc/09/64/04/309096404.db2.gz LPRKLBVZWHKPOV-NMIHRBCNSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706321 309096405 /nfs/dbraw/zinc/09/64/05/309096405.db2.gz LPRKLBVZWHKPOV-NMIHRBCNSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H](CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706321 309096406 /nfs/dbraw/zinc/09/64/06/309096406.db2.gz LPRKLBVZWHKPOV-NMIHRBCNSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H](CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706321 309096407 /nfs/dbraw/zinc/09/64/07/309096407.db2.gz LPRKLBVZWHKPOV-NMIHRBCNSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)CC[NH2+]1 ZINC000414715666 309097111 /nfs/dbraw/zinc/09/71/11/309097111.db2.gz ZBJGNEKGCVHHOJ-CPUCHLNUSA-N 2 1 340.414 3.049 20 0 EGADMP C[C@@H](CC[NH3+])NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414717644 309097134 /nfs/dbraw/zinc/09/71/34/309097134.db2.gz UQQFVCHDBBDCFF-HNNXBMFYSA-N 2 1 332.492 3.310 20 0 EGADMP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1OC(F)F ZINC000414670022 309094722 /nfs/dbraw/zinc/09/47/22/309094722.db2.gz CMQFRSZFAIGVPM-TZMCWYRMSA-N 2 1 328.403 3.117 20 0 EGADMP C[C@H]1C[C@@H](C[N@H+]2CCc3c(Br)ccc(F)c3C2)CC[NH2+]1 ZINC000414719114 309097391 /nfs/dbraw/zinc/09/73/91/309097391.db2.gz XIWCFZBFXYBAGD-RYUDHWBXSA-N 2 1 341.268 3.334 20 0 EGADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000414742272 309098426 /nfs/dbraw/zinc/09/84/26/309098426.db2.gz FYKPVOSCVDQNGE-WCQYABFASA-N 2 1 329.257 3.408 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCOc3ccc(Br)cc3C2)CC[NH2+]1 ZINC000414755218 309098951 /nfs/dbraw/zinc/09/89/51/309098951.db2.gz HCCYOALDOWEXFU-OLZOCXBDSA-N 2 1 339.277 3.032 20 0 EGADMP C[C@H]1C[C@@H](C[N@@H+](CCCOc2ccccc2)C2CCOCC2)CC[NH2+]1 ZINC000414754572 309098968 /nfs/dbraw/zinc/09/89/68/309098968.db2.gz GHTNLNKLZCBIGM-OALUTQOASA-N 2 1 346.515 3.325 20 0 EGADMP c1ccc(OCc2cccnc2)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414771846 309100043 /nfs/dbraw/zinc/10/00/43/309100043.db2.gz SBTKKBDOLRJWDH-KDURUIRLSA-N 2 1 337.467 3.092 20 0 EGADMP CCCOc1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cccc1OCC ZINC000414771222 309099857 /nfs/dbraw/zinc/09/98/57/309099857.db2.gz QNEKXPQPOMNZGS-CALCHBBNSA-N 2 1 332.488 3.306 20 0 EGADMP CCOc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1OC(F)F ZINC000414774176 309100201 /nfs/dbraw/zinc/10/02/01/309100201.db2.gz YJVCWTWMPZWEBX-OKILXGFUSA-N 2 1 340.414 3.118 20 0 EGADMP Fc1ccc(Br)cc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414781106 309100705 /nfs/dbraw/zinc/10/07/05/309100705.db2.gz MNIMZPSSZAKYFT-QWHCGFSZSA-N 2 1 341.268 3.410 20 0 EGADMP c1sc(-c2ccccn2)nc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784225 309100936 /nfs/dbraw/zinc/10/09/36/309100936.db2.gz QZADKGXRIBGSDG-CABCVRRESA-N 2 1 328.485 3.027 20 0 EGADMP c1cc(OC[C@@H]2CCCO2)ccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414788490 309101309 /nfs/dbraw/zinc/10/13/09/309101309.db2.gz WPJGTAWTUNOZOP-ZJOUEHCJSA-N 2 1 344.499 3.066 20 0 EGADMP COc1ccc2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)sc2c1 ZINC000414788494 309101385 /nfs/dbraw/zinc/10/13/85/309101385.db2.gz WQAACEUGHILGRV-KGLIPLIRSA-N 2 1 331.485 3.126 20 0 EGADMP Cc1nn2c(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c(C(C)C)nc2s1 ZINC000414789229 309101466 /nfs/dbraw/zinc/10/14/66/309101466.db2.gz YDNBXEGCIGWQNY-GJZGRUSLSA-N 2 1 347.532 3.044 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000414796980 309102143 /nfs/dbraw/zinc/10/21/43/309102143.db2.gz YJUIRNGJJRMQLK-CVEARBPZSA-N 2 1 349.525 3.200 20 0 EGADMP CCOc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)ccc1OCC(F)(F)F ZINC000414806542 309102600 /nfs/dbraw/zinc/10/26/00/309102600.db2.gz ZPJSUHYXVUTTFH-CYBMUJFWSA-N 2 1 334.382 3.099 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000414812692 309103248 /nfs/dbraw/zinc/10/32/48/309103248.db2.gz LIPAZNMQXAUHPN-HIFRSBDPSA-N 2 1 325.884 3.473 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414832520 309104443 /nfs/dbraw/zinc/10/44/43/309104443.db2.gz QRIFKPZXRMGFHD-INIZCTEOSA-N 2 1 326.488 3.259 20 0 EGADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414831151 309104455 /nfs/dbraw/zinc/10/44/55/309104455.db2.gz CBMOZANDHVDJOY-CQSZACIVSA-N 2 1 340.393 3.354 20 0 EGADMP CC1CC[NH+](C[C@@H](O)CNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000301550441 308704773 /nfs/dbraw/zinc/70/47/73/308704773.db2.gz QLLFIRZIZUMVGR-HNNXBMFYSA-N 2 1 333.863 3.393 20 0 EGADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000414985110 309112814 /nfs/dbraw/zinc/11/28/14/309112814.db2.gz VRRKVMWSKWKPKS-VIFPVBQESA-N 2 1 336.071 3.039 20 0 EGADMP [NH3+]C1(C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CCC1 ZINC000414887212 309107362 /nfs/dbraw/zinc/10/73/62/309107362.db2.gz ZEJBUEIZFSSESR-UHFFFAOYSA-N 2 1 337.183 3.439 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414913303 309108893 /nfs/dbraw/zinc/10/88/93/309108893.db2.gz WCLRBXRWJRPQPV-GOSISDBHSA-N 2 1 332.879 3.313 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC[NH2+]1 ZINC000414948252 309110675 /nfs/dbraw/zinc/11/06/75/309110675.db2.gz LXUKJHKZRYOBAL-VQIMIIECSA-N 2 1 338.499 3.455 20 0 EGADMP CCCOc1c(Cl)cc(C[NH2+]C2(C)CC[NH2+]CC2)cc1OC ZINC000414947193 309110698 /nfs/dbraw/zinc/11/06/98/309110698.db2.gz VMRZRCVEHXPJIA-UHFFFAOYSA-N 2 1 326.868 3.369 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)CC[NH2+]1 ZINC000415094544 309119887 /nfs/dbraw/zinc/11/98/87/309119887.db2.gz KIAADGJTJNSRFO-DVOMOZLQSA-N 2 1 338.293 3.369 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CCCO1 ZINC000415108314 309120792 /nfs/dbraw/zinc/12/07/92/309120792.db2.gz MEOFYAPRCHXRDZ-LJQANCHMSA-N 2 1 348.393 3.307 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CCCO1 ZINC000415108314 309120793 /nfs/dbraw/zinc/12/07/93/309120793.db2.gz MEOFYAPRCHXRDZ-LJQANCHMSA-N 2 1 348.393 3.307 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000415909193 309147601 /nfs/dbraw/zinc/14/76/01/309147601.db2.gz SDXOVXVNRIHCTJ-GOSISDBHSA-N 2 1 332.492 3.134 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000415934253 309149643 /nfs/dbraw/zinc/14/96/43/309149643.db2.gz RDXVVCNIMSLQTG-INIZCTEOSA-N 2 1 332.492 3.182 20 0 EGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416160406 309161489 /nfs/dbraw/zinc/16/14/89/309161489.db2.gz XZUMRFUHVLBMJL-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417982209 309230538 /nfs/dbraw/zinc/23/05/38/309230538.db2.gz MXMMIJJORXBOMU-BDTNDASRSA-N 2 1 336.479 3.147 20 0 EGADMP Brc1ccc2c(c1)[nH+]ccc2N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420231471 309277615 /nfs/dbraw/zinc/27/76/15/309277615.db2.gz RYHGTAKDYAXAQX-MRXNPFEDSA-N 2 1 332.245 3.187 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@H]1c1ccccc1 ZINC000420302501 309280568 /nfs/dbraw/zinc/28/05/68/309280568.db2.gz MKCBAKRCRUFOEE-GFRNBQLOSA-N 2 1 338.495 3.043 20 0 EGADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]2CCCC[C@H]12 ZINC000420305961 309280673 /nfs/dbraw/zinc/28/06/73/309280673.db2.gz QENOCOMUIHXTJX-IPJCAIGPSA-N 2 1 349.563 3.170 20 0 EGADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1C ZINC000420306618 309280743 /nfs/dbraw/zinc/28/07/43/309280743.db2.gz QOKQLHUJIIFJRC-BDTNDASRSA-N 2 1 338.495 3.371 20 0 EGADMP CCC[N@@H+](CCOc1ccccc1Br)C1CC[NH2+]CC1 ZINC000420312015 309281117 /nfs/dbraw/zinc/28/11/17/309281117.db2.gz HNXXAFZWTIRGNL-UHFFFAOYSA-N 2 1 341.293 3.292 20 0 EGADMP CC[C@](C)([NH2+]C[C@H](C[NH3+])c1ccc(OC)cc1)c1nc(C)cs1 ZINC000420316240 309281519 /nfs/dbraw/zinc/28/15/19/309281519.db2.gz LXVIDBQRHPGZBY-YJBOKZPZSA-N 2 1 333.501 3.417 20 0 EGADMP CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420319337 309281907 /nfs/dbraw/zinc/28/19/07/309281907.db2.gz PFYRAPCHNLIECA-GOSISDBHSA-N 2 1 328.456 3.268 20 0 EGADMP COc1ccc(-c2cnc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000420320301 309282163 /nfs/dbraw/zinc/28/21/63/309282163.db2.gz BDDNEHGBNOVWAN-SJORKVTESA-N 2 1 341.455 3.172 20 0 EGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1C ZINC000420327515 309282664 /nfs/dbraw/zinc/28/26/64/309282664.db2.gz LKZQGYLJFWQPOO-GOSISDBHSA-N 2 1 344.499 3.002 20 0 EGADMP FC(F)(F)c1ccccc1OCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420334939 309282872 /nfs/dbraw/zinc/28/28/72/309282872.db2.gz LNMZHLDCVRMTCU-OKILXGFUSA-N 2 1 328.378 3.016 20 0 EGADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420346853 309283653 /nfs/dbraw/zinc/28/36/53/309283653.db2.gz ZGTXZTQFGJUIPM-GVDBMIGSSA-N 2 1 340.471 3.428 20 0 EGADMP [NH3+]C[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000420368331 309284612 /nfs/dbraw/zinc/28/46/12/309284612.db2.gz NPHYTNCPPDNHRK-INIZCTEOSA-N 2 1 348.878 3.430 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)n1 ZINC000420410524 309286849 /nfs/dbraw/zinc/28/68/49/309286849.db2.gz XVWXDHZYMGOAQN-CTNGQTDRSA-N 2 1 338.499 3.453 20 0 EGADMP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420924135 309301354 /nfs/dbraw/zinc/30/13/54/309301354.db2.gz RYIOPEXLQFFCNG-RTWAWAEBSA-N 2 1 346.515 3.202 20 0 EGADMP CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420950660 309303611 /nfs/dbraw/zinc/30/36/11/309303611.db2.gz RQXVUQLIZWAYLN-QGZVFWFLSA-N 2 1 339.483 3.327 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc4cc[nH]c43)CC2)CC1 ZINC000421370834 309321300 /nfs/dbraw/zinc/32/13/00/309321300.db2.gz IYRKPAZUEIVWHR-UHFFFAOYSA-N 2 1 340.515 3.160 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3coc4ccccc34)CC2)CC1 ZINC000421380047 309321610 /nfs/dbraw/zinc/32/16/10/309321610.db2.gz VGVNMQRFFMBUGA-UHFFFAOYSA-N 2 1 341.499 3.425 20 0 EGADMP COC1([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CCCC1 ZINC000421827160 309341832 /nfs/dbraw/zinc/34/18/32/309341832.db2.gz WNWDLFCLHHIEFI-ZWKOTPCHSA-N 2 1 346.515 3.345 20 0 EGADMP COC1([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CCCC1 ZINC000421827160 309341833 /nfs/dbraw/zinc/34/18/33/309341833.db2.gz WNWDLFCLHHIEFI-ZWKOTPCHSA-N 2 1 346.515 3.345 20 0 EGADMP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc(Cl)c1OC ZINC000422559201 309361519 /nfs/dbraw/zinc/36/15/19/309361519.db2.gz CQYBUGWWRWKIQK-BZPMIXESSA-N 2 1 326.868 3.162 20 0 EGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc(Cl)c1OC ZINC000422559201 309361520 /nfs/dbraw/zinc/36/15/20/309361520.db2.gz CQYBUGWWRWKIQK-BZPMIXESSA-N 2 1 326.868 3.162 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1OC ZINC000422699858 309363527 /nfs/dbraw/zinc/36/35/27/309363527.db2.gz BKKIDMSUMHVAPC-HUUCEWRRSA-N 2 1 326.868 3.497 20 0 EGADMP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)N[C@H]1CCC[NH2+]CC1 ZINC000422725611 309365076 /nfs/dbraw/zinc/36/50/76/309365076.db2.gz CAUMAQNCMWEYDF-PMACEKPBSA-N 2 1 329.532 3.191 20 0 EGADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)N[C@H]1CCC[NH2+]CC1 ZINC000422725611 309365077 /nfs/dbraw/zinc/36/50/77/309365077.db2.gz CAUMAQNCMWEYDF-PMACEKPBSA-N 2 1 329.532 3.191 20 0 EGADMP COc1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1OC1CCCC1 ZINC000422726481 309365423 /nfs/dbraw/zinc/36/54/23/309365423.db2.gz DZIFJOHGQMLPKL-MAUKXSAKSA-N 2 1 332.488 3.494 20 0 EGADMP Fc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000422781703 309368120 /nfs/dbraw/zinc/36/81/20/309368120.db2.gz MINORLJHPDMDCW-MJGOQNOKSA-N 2 1 330.378 3.310 20 0 EGADMP CC[C@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422789856 309368387 /nfs/dbraw/zinc/36/83/87/309368387.db2.gz SQJRZOZGJKLXKQ-OALUTQOASA-N 2 1 335.923 3.425 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CCN(c2cc(Cl)ccc2OC)C1)[C@@H]1CCC[NH2+]1 ZINC000422910888 309375901 /nfs/dbraw/zinc/37/59/01/309375901.db2.gz RTCILSKSFMTCEI-PMPSAXMXSA-N 2 1 337.895 3.048 20 0 EGADMP CC(C)[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000422942837 309377289 /nfs/dbraw/zinc/37/72/89/309377289.db2.gz QGNMRBOCGCNYQG-QMMLZNLJSA-N 2 1 329.532 3.047 20 0 EGADMP CC(C)[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000422942837 309377290 /nfs/dbraw/zinc/37/72/90/309377290.db2.gz QGNMRBOCGCNYQG-QMMLZNLJSA-N 2 1 329.532 3.047 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)c2ccccc21 ZINC000422959654 309378191 /nfs/dbraw/zinc/37/81/91/309378191.db2.gz TURFQNMSQNCZQY-UXHICEINSA-N 2 1 335.451 3.043 20 0 EGADMP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c2c(c1)OCCCO2 ZINC000422989598 309379788 /nfs/dbraw/zinc/37/97/88/309379788.db2.gz LYPOYJKVEFLJEL-RCCFBDPRSA-N 2 1 330.472 3.248 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCCc2ccccc21 ZINC000423019630 309381374 /nfs/dbraw/zinc/38/13/74/309381374.db2.gz WNAWJAHAWHEZLX-CWJKEVGVSA-N 2 1 328.500 3.027 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423032016 309382005 /nfs/dbraw/zinc/38/20/05/309382005.db2.gz MBSRDLIEMIUGQI-BDJLRTHQSA-N 2 1 336.277 3.061 20 0 EGADMP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423046982 309382855 /nfs/dbraw/zinc/38/28/55/309382855.db2.gz GKKQZZQYGYSYEF-OTWHNJEPSA-N 2 1 328.456 3.030 20 0 EGADMP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000423058730 309383524 /nfs/dbraw/zinc/38/35/24/309383524.db2.gz KGXNGWOFZVGFLW-WRTQPQOASA-N 2 1 328.500 3.145 20 0 EGADMP FC(F)COc1cnccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423102118 309385956 /nfs/dbraw/zinc/38/59/56/309385956.db2.gz NWAZSLBPMVFPKU-OWCLPIDISA-N 2 1 339.430 3.126 20 0 EGADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423114796 309386687 /nfs/dbraw/zinc/38/66/87/309386687.db2.gz WMCRPHCLCZBJJV-AAEUAGOBSA-N 2 1 332.366 3.072 20 0 EGADMP CC[C@H]([NH2+]CCc1ccc(OC)c(OC)c1Cl)[C@@H]1CCC[NH2+]1 ZINC000423136301 309387897 /nfs/dbraw/zinc/38/78/97/309387897.db2.gz OZYJLFYJPCDKTQ-KBPBESRZSA-N 2 1 326.868 3.020 20 0 EGADMP Fc1cc(F)c2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)CCC2 ZINC000423146184 309388286 /nfs/dbraw/zinc/38/82/86/309388286.db2.gz OLGLOZSMMBWWLV-DQEVTTJGSA-N 2 1 336.426 3.089 20 0 EGADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cnn1-c1cccc(Cl)c1 ZINC000423211246 309390464 /nfs/dbraw/zinc/39/04/64/309390464.db2.gz KREDHFFDGBMQMY-HIFRSBDPSA-N 2 1 332.879 3.484 20 0 EGADMP CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+][C@H]2CC[NH2+]C2)nc1 ZINC000423215710 309390758 /nfs/dbraw/zinc/39/07/58/309390758.db2.gz OIGUIBWFWXJABD-VQTJNVASSA-N 2 1 343.902 3.403 20 0 EGADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1OC ZINC000423268920 309393354 /nfs/dbraw/zinc/39/33/54/309393354.db2.gz VIFZOOLKXVUYAO-CRAIPNDOSA-N 2 1 334.504 3.440 20 0 EGADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1Cl ZINC000423340956 309396118 /nfs/dbraw/zinc/39/61/18/309396118.db2.gz WCJHLJHYVQTQML-SJKOYZFVSA-N 2 1 326.868 3.398 20 0 EGADMP Brc1cccc2c1OCCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423361146 309397048 /nfs/dbraw/zinc/39/70/48/309397048.db2.gz MCTJTKKBOQTAPR-DOMZBBRYSA-N 2 1 339.277 3.395 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)nnn1-c1cccc(Cl)c1 ZINC000423370181 309397639 /nfs/dbraw/zinc/39/76/39/309397639.db2.gz FGWGVWUHMZTRKL-CQDKDKBSSA-N 2 1 333.867 3.150 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC[NH2+]1 ZINC000423398748 309398568 /nfs/dbraw/zinc/39/85/68/309398568.db2.gz VKKFVGWFWVEMGR-UXIGCNINSA-N 2 1 339.277 3.393 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423428305 309399984 /nfs/dbraw/zinc/39/99/84/309399984.db2.gz GJJVMVLDLCYYPB-TWOQFEAHSA-N 2 1 337.467 3.099 20 0 EGADMP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2SC)CC1 ZINC000430581738 309611815 /nfs/dbraw/zinc/61/18/15/309611815.db2.gz HZXAUSTUGWLBGE-CQSZACIVSA-N 2 1 335.517 3.057 20 0 EGADMP C[C@H]([NH3+])C1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000430927656 309621172 /nfs/dbraw/zinc/62/11/72/309621172.db2.gz JBOQIXCAELSBDK-JTQLQIEISA-N 2 1 327.259 3.200 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000448234796 310000770 /nfs/dbraw/zinc/00/07/70/310000770.db2.gz RHQHYAPRCJZNGE-AHRSYUTCSA-N 2 1 337.467 3.028 20 0 EGADMP COc1nccc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000449078742 310035391 /nfs/dbraw/zinc/03/53/91/310035391.db2.gz MVYKRMQZKFAMJQ-INIZCTEOSA-N 2 1 340.471 3.007 20 0 EGADMP COc1nccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000449078742 310035392 /nfs/dbraw/zinc/03/53/92/310035392.db2.gz MVYKRMQZKFAMJQ-INIZCTEOSA-N 2 1 340.471 3.007 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000449092040 310036415 /nfs/dbraw/zinc/03/64/15/310036415.db2.gz KZLDINPHCHLFSW-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000449092040 310036416 /nfs/dbraw/zinc/03/64/16/310036416.db2.gz KZLDINPHCHLFSW-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP COc1cc(C)ccc1C[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000449162505 310041370 /nfs/dbraw/zinc/04/13/70/310041370.db2.gz JHOMKYGPNPOJJT-UHFFFAOYSA-N 2 1 325.456 3.466 20 0 EGADMP CC[C@H](C)[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)OC ZINC000449404991 310059318 /nfs/dbraw/zinc/05/93/18/310059318.db2.gz WPAMNADOKKVUSG-OXJNMPFZSA-N 2 1 336.495 3.483 20 0 EGADMP O[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000449578357 310073311 /nfs/dbraw/zinc/07/33/11/310073311.db2.gz KYQDZHFEGQRDFH-ONUIULTDSA-N 2 1 328.500 3.038 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](CCc2cccs2)CC1 ZINC000450281539 310112855 /nfs/dbraw/zinc/11/28/55/310112855.db2.gz DISVTKZKNYJZKM-SFHVURJKSA-N 2 1 335.561 3.171 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000450326634 310115736 /nfs/dbraw/zinc/11/57/36/310115736.db2.gz IIJHSWIKSUYAJU-KSZLIROESA-N 2 1 343.506 3.302 20 0 EGADMP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C12CCC2 ZINC000453101042 310257807 /nfs/dbraw/zinc/25/78/07/310257807.db2.gz YOPBALJHKWSJIX-PMACEKPBSA-N 2 1 328.500 3.241 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccncn3)CC2)cs1 ZINC000453103667 310258100 /nfs/dbraw/zinc/25/81/00/310258100.db2.gz BPSHSAZTENQSRY-CQSZACIVSA-N 2 1 345.516 3.058 20 0 EGADMP OCCCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453106382 310258377 /nfs/dbraw/zinc/25/83/77/310258377.db2.gz YTLHQHNNIPOMLT-ZCNNSNEGSA-N 2 1 348.556 3.135 20 0 EGADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453126249 310259755 /nfs/dbraw/zinc/25/97/55/310259755.db2.gz OSIQVZNMRIYTKJ-VXCLMFOKSA-N 2 1 330.516 3.426 20 0 EGADMP C[C@H](CCCc1cccnc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000453149117 310260815 /nfs/dbraw/zinc/26/08/15/310260815.db2.gz RJOPLMOUHVAGTL-LJQANCHMSA-N 2 1 345.531 3.418 20 0 EGADMP OC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCC1 ZINC000453217842 310264824 /nfs/dbraw/zinc/26/48/24/310264824.db2.gz UWQHAGHNPHYLOF-XUVXKRRUSA-N 2 1 328.500 3.324 20 0 EGADMP CO[C@H]1COCC[C@@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453334959 310271764 /nfs/dbraw/zinc/27/17/64/310271764.db2.gz XPQZPXUWBYOPQK-UEKLYDJUSA-N 2 1 346.515 3.071 20 0 EGADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)COC1 ZINC000453389743 310274261 /nfs/dbraw/zinc/27/42/61/310274261.db2.gz XOBKCAJVWPBNGF-VAMGGRTRSA-N 2 1 328.500 3.446 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)nnn1-c1ccc(C)cc1 ZINC000453404803 310275212 /nfs/dbraw/zinc/27/52/12/310275212.db2.gz PYIMSGYSRFAMSZ-MRXNPFEDSA-N 2 1 341.503 3.409 20 0 EGADMP CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455931788 310382634 /nfs/dbraw/zinc/38/26/34/310382634.db2.gz PRFFLPRVGITHAB-KXBFYZLASA-N 2 1 344.503 3.089 20 0 EGADMP Cc1cc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)ccc1C[NH+](C)C ZINC000458284654 310496363 /nfs/dbraw/zinc/49/63/63/310496363.db2.gz MXOQMCXMLNVYSC-LJQANCHMSA-N 2 1 325.456 3.298 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N[C@@H](C)c1ccccc1 ZINC000482166322 310927875 /nfs/dbraw/zinc/92/78/75/310927875.db2.gz TYBLCDBDWAVIGV-YSIASYRMSA-N 2 1 345.531 3.354 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000492695896 311281333 /nfs/dbraw/zinc/28/13/33/311281333.db2.gz KHWCPKOEYQDLME-SJORKVTESA-N 2 1 337.508 3.064 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(N2CCOC2=O)c1 ZINC000496081875 311658614 /nfs/dbraw/zinc/65/86/14/311658614.db2.gz DHDICFOIWDXNFR-AGRHKRQWSA-N 2 1 337.423 3.439 20 0 EGADMP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000507503577 312074998 /nfs/dbraw/zinc/07/49/98/312074998.db2.gz AOQQISKNDLMORR-PSWRPDDJSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@H](CN1CCCCC1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000507503577 312074999 /nfs/dbraw/zinc/07/49/99/312074999.db2.gz AOQQISKNDLMORR-PSWRPDDJSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@H](CN1CCCCC1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000507503577 312075001 /nfs/dbraw/zinc/07/50/01/312075001.db2.gz AOQQISKNDLMORR-PSWRPDDJSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507503576 312075060 /nfs/dbraw/zinc/07/50/60/312075060.db2.gz AOQQISKNDLMORR-FVTFTPSCSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@H](CN1CCCCC1)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000507503576 312075062 /nfs/dbraw/zinc/07/50/62/312075062.db2.gz AOQQISKNDLMORR-FVTFTPSCSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@H](CN1CCCCC1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507503576 312075064 /nfs/dbraw/zinc/07/50/64/312075064.db2.gz AOQQISKNDLMORR-FVTFTPSCSA-N 3 1 341.543 3.361 20 0 EGADMP CCC(C)(C)c1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000508977584 312106913 /nfs/dbraw/zinc/10/69/13/312106913.db2.gz MTGBRULKKJBOAL-UHFFFAOYSA-N 2 1 331.548 3.444 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1C ZINC000510930040 312150941 /nfs/dbraw/zinc/15/09/41/312150941.db2.gz ODXMLYCFJKQZOZ-HNNXBMFYSA-N 2 1 328.460 3.205 20 0 EGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)[C@@H]1C ZINC000512666230 312191587 /nfs/dbraw/zinc/19/15/87/312191587.db2.gz JKFZHBVILFDPNK-YCXYWVQESA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)[C@@H]1C ZINC000512666230 312191589 /nfs/dbraw/zinc/19/15/89/312191589.db2.gz JKFZHBVILFDPNK-YCXYWVQESA-N 2 1 330.516 3.284 20 0 EGADMP Cc1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c(C)c1 ZINC000512677721 312192078 /nfs/dbraw/zinc/19/20/78/312192078.db2.gz LJYLSJCIBKRGLV-BGYRXZFFSA-N 2 1 329.532 3.294 20 0 EGADMP Cc1n[nH]c(C)c1C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513495477 312211516 /nfs/dbraw/zinc/21/15/16/312211516.db2.gz QFXSZZXFGXDXMK-DNVCBOLYSA-N 2 1 326.488 3.417 20 0 EGADMP CCC1CCC([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000513627031 312213805 /nfs/dbraw/zinc/21/38/05/312213805.db2.gz JIFGNGTXAWYZHD-UHFFFAOYSA-N 2 1 329.532 3.492 20 0 EGADMP C/C(=C/c1ccccc1)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000514233732 312228507 /nfs/dbraw/zinc/22/85/07/312228507.db2.gz DPDCCZDWJTVPQA-CHMLTUNVSA-N 2 1 336.479 3.446 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000515487496 312285110 /nfs/dbraw/zinc/28/51/10/312285110.db2.gz WLRSAFLWFAGCQI-KRWDZBQOSA-N 2 1 337.552 3.255 20 0 EGADMP Cc1cc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cn2cc[nH+]c12 ZINC000515997420 312305295 /nfs/dbraw/zinc/30/52/95/312305295.db2.gz LQBRMEFRGCHVSN-LSDHHAIUSA-N 2 1 329.448 3.027 20 0 EGADMP Cc1cc(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cn2cc[nH+]c12 ZINC000515997420 312305297 /nfs/dbraw/zinc/30/52/97/312305297.db2.gz LQBRMEFRGCHVSN-LSDHHAIUSA-N 2 1 329.448 3.027 20 0 EGADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc(C(F)(F)F)c1 ZINC000529528696 313344521 /nfs/dbraw/zinc/34/45/21/313344521.db2.gz KCCCMTKGTWPTNR-UHFFFAOYSA-N 2 1 330.394 3.488 20 0 EGADMP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530243404 313504596 /nfs/dbraw/zinc/50/45/96/313504596.db2.gz XYTPWQQXMGRPQG-ZBFHGGJFSA-N 2 1 335.492 3.124 20 0 EGADMP CC(C)(C)c1cnc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000530247925 313505500 /nfs/dbraw/zinc/50/55/00/313505500.db2.gz DMVRCBLJKATICC-HNNXBMFYSA-N 2 1 337.533 3.031 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1(C)C ZINC000537288654 314172165 /nfs/dbraw/zinc/17/21/65/314172165.db2.gz LYIKZPNUOJPVSV-SLFFLAALSA-N 2 1 330.516 3.344 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H](Nc2ccc3c(c2)[nH+]cn3C)[C@@H](C)C1 ZINC000538640947 314259646 /nfs/dbraw/zinc/25/96/46/314259646.db2.gz VOPOWZNGMXKVGQ-DOTOQJQBSA-N 2 1 330.476 3.122 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H](Nc2ccc3c(c2)[nH+]cn3C)[C@@H](C)C1 ZINC000538640947 314259647 /nfs/dbraw/zinc/25/96/47/314259647.db2.gz VOPOWZNGMXKVGQ-DOTOQJQBSA-N 2 1 330.476 3.122 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000540143501 314365315 /nfs/dbraw/zinc/36/53/15/314365315.db2.gz HFEKYEPDIMSIFD-IAQYHMDHSA-N 2 1 329.257 3.061 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000549747611 315103017 /nfs/dbraw/zinc/10/30/17/315103017.db2.gz BCMJWWUNAMIRFJ-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000549747611 315103020 /nfs/dbraw/zinc/10/30/20/315103020.db2.gz BCMJWWUNAMIRFJ-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000549747611 315103023 /nfs/dbraw/zinc/10/30/23/315103023.db2.gz BCMJWWUNAMIRFJ-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000549844296 315107503 /nfs/dbraw/zinc/10/75/03/315107503.db2.gz LXRPGWZMMSMYSU-LMNJBCLMSA-N 2 1 348.506 3.316 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000549844296 315107506 /nfs/dbraw/zinc/10/75/06/315107506.db2.gz LXRPGWZMMSMYSU-LMNJBCLMSA-N 2 1 348.506 3.316 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000549844296 315107509 /nfs/dbraw/zinc/10/75/09/315107509.db2.gz LXRPGWZMMSMYSU-LMNJBCLMSA-N 2 1 348.506 3.316 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000549844296 315107512 /nfs/dbraw/zinc/10/75/12/315107512.db2.gz LXRPGWZMMSMYSU-LMNJBCLMSA-N 2 1 348.506 3.316 20 0 EGADMP CCC[N@@H+](C)[C@H](CNC(=O)C[NH+](CC)CC)c1ccc(Cl)cc1 ZINC000552672539 315227950 /nfs/dbraw/zinc/22/79/50/315227950.db2.gz RKSZPZWPTDHPTL-QGZVFWFLSA-N 2 1 339.911 3.181 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC34CCOCC4)CC2)oc1C ZINC000554561134 315332870 /nfs/dbraw/zinc/33/28/70/315332870.db2.gz XZFFIOBJHWJHGV-GOSISDBHSA-N 2 1 347.503 3.052 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2sccc2Br)C1 ZINC000563570279 316039604 /nfs/dbraw/zinc/03/96/04/316039604.db2.gz BDULZNVNLWBCMP-DGCLKSJQSA-N 2 1 329.307 3.427 20 0 EGADMP CCc1ccccc1CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000563944123 316095365 /nfs/dbraw/zinc/09/53/65/316095365.db2.gz CRRLVETYQGOPNA-WCRBZPEASA-N 2 1 330.516 3.365 20 0 EGADMP CCc1ccccc1CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000563944123 316095370 /nfs/dbraw/zinc/09/53/70/316095370.db2.gz CRRLVETYQGOPNA-WCRBZPEASA-N 2 1 330.516 3.365 20 0 EGADMP CCc1ccccc1CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000563944123 316095373 /nfs/dbraw/zinc/09/53/73/316095373.db2.gz CRRLVETYQGOPNA-WCRBZPEASA-N 2 1 330.516 3.365 20 0 EGADMP CC1CCC(O)(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000564375447 316143443 /nfs/dbraw/zinc/14/34/43/316143443.db2.gz ALMUXBHIFDOQMB-IITXJAJYSA-N 2 1 342.527 3.382 20 0 EGADMP Cc1ccnc(C)c1NC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000565054634 316257345 /nfs/dbraw/zinc/25/73/45/316257345.db2.gz PZLNITJJCHGFIW-HXUWFJFHSA-N 2 1 338.455 3.485 20 0 EGADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)C[C@@H]2CC)cc1 ZINC000565974321 316397090 /nfs/dbraw/zinc/39/70/90/316397090.db2.gz UJLHTYDCBAQEHJ-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)C[C@@H]2CC)cc1 ZINC000565974321 316397094 /nfs/dbraw/zinc/39/70/94/316397094.db2.gz UJLHTYDCBAQEHJ-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2CC)cc1 ZINC000565974321 316397097 /nfs/dbraw/zinc/39/70/97/316397097.db2.gz UJLHTYDCBAQEHJ-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CC)cc1 ZINC000565974321 316397101 /nfs/dbraw/zinc/39/71/01/316397101.db2.gz UJLHTYDCBAQEHJ-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP CCc1ccc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000569826562 316969937 /nfs/dbraw/zinc/96/99/37/316969937.db2.gz BFGDELUUOFTNFI-GOSISDBHSA-N 2 1 340.471 3.263 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C3CC3)C3CCCC3)CC2)CC1 ZINC000570580192 317076693 /nfs/dbraw/zinc/07/66/93/317076693.db2.gz OMUMLDMQQCKFHQ-UHFFFAOYSA-N 2 1 347.547 3.116 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](SCCCN3CCOCC3)C2)cc1 ZINC000570842999 317115860 /nfs/dbraw/zinc/11/58/60/317115860.db2.gz UJGDOSQEEVDMKO-IBGZPJMESA-N 2 1 334.529 3.107 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](SCCC[NH+]3CCOCC3)C2)cc1 ZINC000570842999 317115862 /nfs/dbraw/zinc/11/58/62/317115862.db2.gz UJGDOSQEEVDMKO-IBGZPJMESA-N 2 1 334.529 3.107 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](SCCC[NH+]3CCOCC3)C2)cc1 ZINC000570842999 317115866 /nfs/dbraw/zinc/11/58/66/317115866.db2.gz UJGDOSQEEVDMKO-IBGZPJMESA-N 2 1 334.529 3.107 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000571175379 317162370 /nfs/dbraw/zinc/16/23/70/317162370.db2.gz GKANBNUHKADKDO-IXDOHACOSA-N 2 1 344.421 3.244 20 0 EGADMP CCc1ccc(-c2noc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)n2)cc1 ZINC000571992475 317276004 /nfs/dbraw/zinc/27/60/04/317276004.db2.gz CLKFRXHKDDXFNK-OAHLLOKOSA-N 2 1 340.471 3.263 20 0 EGADMP COc1ccc2c(c1)CCC[N@H+](C[C@H](C[NH3+])c1ccc(F)cc1)C2 ZINC000572593996 317361552 /nfs/dbraw/zinc/36/15/52/317361552.db2.gz PSQDDXYTRXNKII-SFHVURJKSA-N 2 1 328.431 3.325 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000177902068 323347662 /nfs/dbraw/zinc/34/76/62/323347662.db2.gz VLGQSQYHWCALLZ-XJKCOSOUSA-N 2 1 330.394 3.403 20 0 EGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccoc1 ZINC000177924705 323348067 /nfs/dbraw/zinc/34/80/67/323348067.db2.gz SXWNCXWAHWGZSW-YLJYHZDGSA-N 2 1 327.472 3.309 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000178184356 323352670 /nfs/dbraw/zinc/35/26/70/323352670.db2.gz AKYXQIVVRIDCSP-HFAKWTLXSA-N 2 1 329.257 3.407 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000178184356 323352672 /nfs/dbraw/zinc/35/26/72/323352672.db2.gz AKYXQIVVRIDCSP-HFAKWTLXSA-N 2 1 329.257 3.407 20 0 EGADMP C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000385799539 324263551 /nfs/dbraw/zinc/26/35/51/324263551.db2.gz DZCDFZUBHWQKLI-QFBILLFUSA-N 2 1 338.451 3.416 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCCC[NH+]1CCCC1 ZINC000390860279 324284850 /nfs/dbraw/zinc/28/48/50/324284850.db2.gz FAHRHBJPBAPVNQ-HXUWFJFHSA-N 2 1 329.532 3.363 20 0 EGADMP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000390860279 324284856 /nfs/dbraw/zinc/28/48/56/324284856.db2.gz FAHRHBJPBAPVNQ-HXUWFJFHSA-N 2 1 329.532 3.363 20 0 EGADMP C[C@H]1CCC[C@](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)([NH+](C)C)C1 ZINC000396317741 324293521 /nfs/dbraw/zinc/29/35/21/324293521.db2.gz GNKGKQIDNOMJRC-UIDBIOKJSA-N 2 1 336.442 3.323 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495122360 324376972 /nfs/dbraw/zinc/37/69/72/324376972.db2.gz KCKYNUAQRMAHKT-DLBZAZTESA-N 2 1 339.524 3.098 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000579255112 325085913 /nfs/dbraw/zinc/08/59/13/325085913.db2.gz NRSQXPRTLDCBEJ-WOJBJXKFSA-N 2 1 346.515 3.072 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000579255112 325085915 /nfs/dbraw/zinc/08/59/15/325085915.db2.gz NRSQXPRTLDCBEJ-WOJBJXKFSA-N 2 1 346.515 3.072 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3C[C@]3(CC)C(C)C)CC2)CC1 ZINC000579373610 325102146 /nfs/dbraw/zinc/10/21/46/325102146.db2.gz ZSHFUSQGQCDRAK-PZJWPPBQSA-N 2 1 349.563 3.124 20 0 EGADMP CO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C12CCC2 ZINC000579556868 325125936 /nfs/dbraw/zinc/12/59/36/325125936.db2.gz YMSMVNGVAUELQV-ZWKOTPCHSA-N 2 1 347.503 3.051 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000579715343 325149656 /nfs/dbraw/zinc/14/96/56/325149656.db2.gz ZLFFSPSKSPZAQE-IBGZPJMESA-N 2 1 341.430 3.148 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000579715343 325149663 /nfs/dbraw/zinc/14/96/63/325149663.db2.gz ZLFFSPSKSPZAQE-IBGZPJMESA-N 2 1 341.430 3.148 20 0 EGADMP Cc1cc(C)c([C@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1C ZINC000580182382 325214425 /nfs/dbraw/zinc/21/44/25/325214425.db2.gz PHVASWILPITJRO-HNNXBMFYSA-N 2 1 327.476 3.048 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCCCC[NH2+]3)cc2)C1 ZINC000580314848 325233895 /nfs/dbraw/zinc/23/38/95/325233895.db2.gz KWEZNMQAXAXQBV-QFBILLFUSA-N 2 1 329.488 3.389 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000581070074 325326596 /nfs/dbraw/zinc/32/65/96/325326596.db2.gz YFLCFRVVFCAPAW-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[C@H](C)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000349411888 456964374 /nfs/dbraw/zinc/96/43/74/456964374.db2.gz BMGYKYOVSBDEIQ-OKZBNKHCSA-N 2 1 326.525 3.013 20 0 EGADMP CCC[C@H](C)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000349411888 456964377 /nfs/dbraw/zinc/96/43/77/456964377.db2.gz BMGYKYOVSBDEIQ-OKZBNKHCSA-N 2 1 326.525 3.013 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2sc(C)nc2C)[C@H](C)C1 ZINC000157931634 455250528 /nfs/dbraw/zinc/25/05/28/455250528.db2.gz BCHDKKBFWXNJCE-PBHICJAKSA-N 2 1 339.549 3.029 20 0 EGADMP Cc1cc2ncn(C[C@@H](O)C[N@H+]3CCC[C@H]3c3ccc[nH]3)c2cc1C ZINC000239667445 455262762 /nfs/dbraw/zinc/26/27/62/455262762.db2.gz BQCZRXKJZZQRRZ-LPHOPBHVSA-N 2 1 338.455 3.179 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000264693345 455264689 /nfs/dbraw/zinc/26/46/89/455264689.db2.gz FHZPOFIFUXTXBO-MSOLQXFVSA-N 2 1 345.531 3.134 20 0 EGADMP c1ccc(COc2cccc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)c2)nc1 ZINC000631890078 460589395 /nfs/dbraw/zinc/58/93/95/460589395.db2.gz LZGPKANBJQLHIP-RXVVDRJESA-N 2 1 337.467 3.235 20 0 EGADMP CCc1nc2c(s1)[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)CCC2 ZINC000159136654 455354932 /nfs/dbraw/zinc/35/49/32/455354932.db2.gz JVVPNANRBIZFCJ-OAHLLOKOSA-N 2 1 337.533 3.173 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000030907237 453841599 /nfs/dbraw/zinc/84/15/99/453841599.db2.gz SMOASFUUSSKSLE-INIZCTEOSA-N 2 1 342.462 3.202 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000075819458 453928576 /nfs/dbraw/zinc/92/85/76/453928576.db2.gz CCVQAGWKYRMMNX-UHFFFAOYSA-N 2 1 329.835 3.211 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000040620664 453952724 /nfs/dbraw/zinc/95/27/24/453952724.db2.gz PSSKGCIFQOYIQO-LBPRGKRZSA-N 2 1 329.257 3.408 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000040620664 453952732 /nfs/dbraw/zinc/95/27/32/453952732.db2.gz PSSKGCIFQOYIQO-LBPRGKRZSA-N 2 1 329.257 3.408 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC3(C2)CCCCCC3)CC1 ZINC000075968455 453943858 /nfs/dbraw/zinc/94/38/58/453943858.db2.gz HSDVWUVNXNRTDL-UHFFFAOYSA-N 2 1 335.536 3.023 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000077281033 454085104 /nfs/dbraw/zinc/08/51/04/454085104.db2.gz MAUGLOALXVPXGK-UHFFFAOYSA-N 2 1 342.487 3.331 20 0 EGADMP CCc1noc(-c2ccc(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)cc2)n1 ZINC000089551298 454161870 /nfs/dbraw/zinc/16/18/70/454161870.db2.gz CXLRCLWGGHUCPZ-RLFYNMQTSA-N 2 1 342.487 3.160 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000089555887 454161960 /nfs/dbraw/zinc/16/19/60/454161960.db2.gz HUCJLJIOSFUTQB-CJNGLKHVSA-N 2 1 348.878 3.252 20 0 EGADMP COCC[NH+]1CCC([NH2+]CCCO[C@@H]2CCCc3ccccc32)CC1 ZINC000089721503 454182973 /nfs/dbraw/zinc/18/29/73/454182973.db2.gz KUXQIJDHHVGWDS-OAQYLSRUSA-N 2 1 346.515 3.171 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000089735665 454186916 /nfs/dbraw/zinc/18/69/16/454186916.db2.gz RQFUMIKHBYTHSQ-QGZVFWFLSA-N 2 1 329.419 3.316 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000089735665 454186918 /nfs/dbraw/zinc/18/69/18/454186918.db2.gz RQFUMIKHBYTHSQ-QGZVFWFLSA-N 2 1 329.419 3.316 20 0 EGADMP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCCC[C@H]1C ZINC000058444156 454204679 /nfs/dbraw/zinc/20/46/79/454204679.db2.gz CUOBJRCQCPTXTQ-QZTJIDSGSA-N 2 1 343.515 3.275 20 0 EGADMP CC[N@H+](CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1CC1 ZINC000131037768 454231769 /nfs/dbraw/zinc/23/17/69/454231769.db2.gz NXWHNCQSTDAUPF-SFHVURJKSA-N 2 1 349.906 3.077 20 0 EGADMP CC[N@@H+](CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1CC1 ZINC000131037768 454231773 /nfs/dbraw/zinc/23/17/73/454231773.db2.gz NXWHNCQSTDAUPF-SFHVURJKSA-N 2 1 349.906 3.077 20 0 EGADMP Clc1ccc2[nH+]ccc(N3CC[C@@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000078404431 454248659 /nfs/dbraw/zinc/24/86/59/454248659.db2.gz UAZMKUQWUNCTGI-AWEZNQCLSA-N 2 1 331.847 3.047 20 0 EGADMP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000096003530 454260623 /nfs/dbraw/zinc/26/06/23/454260623.db2.gz YKDVPLKSZMDAST-NQIIRXRSSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000096003530 454260628 /nfs/dbraw/zinc/26/06/28/454260628.db2.gz YKDVPLKSZMDAST-NQIIRXRSSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000090044594 454265415 /nfs/dbraw/zinc/26/54/15/454265415.db2.gz BHOXZBXGJFLTEO-YCPHGPKFSA-N 2 1 330.501 3.066 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H]3CCC[N@@H+](CC(C)C)C3)c(C)n2n1 ZINC000090586735 454323838 /nfs/dbraw/zinc/32/38/38/454323838.db2.gz UJUJVTIGSLMVNV-SJLPKXTDSA-N 2 1 343.519 3.365 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H]3CCC[N@H+](CC(C)C)C3)c(C)n2n1 ZINC000090586735 454323840 /nfs/dbraw/zinc/32/38/40/454323840.db2.gz UJUJVTIGSLMVNV-SJLPKXTDSA-N 2 1 343.519 3.365 20 0 EGADMP C[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)CC[C@H]1CCCC[NH+]1C ZINC000072725132 454333451 /nfs/dbraw/zinc/33/34/51/454333451.db2.gz FHVYAEPHVSCNCH-QGZVFWFLSA-N 2 1 339.430 3.100 20 0 EGADMP C[NH+](CCC(=O)Nc1cc(F)cc(F)c1)CC[C@H]1CCCC[N@@H+]1C ZINC000072725132 454333453 /nfs/dbraw/zinc/33/34/53/454333453.db2.gz FHVYAEPHVSCNCH-QGZVFWFLSA-N 2 1 339.430 3.100 20 0 EGADMP C[NH+](CCC(=O)Nc1cc(F)cc(F)c1)CC[C@H]1CCCC[N@H+]1C ZINC000072725132 454333457 /nfs/dbraw/zinc/33/34/57/454333457.db2.gz FHVYAEPHVSCNCH-QGZVFWFLSA-N 2 1 339.430 3.100 20 0 EGADMP CC[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCCCCC1)C1CC1 ZINC000132413752 454336239 /nfs/dbraw/zinc/33/62/39/454336239.db2.gz GQXYDGIQLDQGLF-UHFFFAOYSA-N 2 1 343.515 3.163 20 0 EGADMP COc1ccccc1[C@H](CNc1cc(C)[nH+]c(C)n1)[NH+]1CCCC1 ZINC000079021286 454356877 /nfs/dbraw/zinc/35/68/77/454356877.db2.gz YVMHGAWCOBUIQE-KRWDZBQOSA-N 2 1 326.444 3.351 20 0 EGADMP CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000072966024 454372103 /nfs/dbraw/zinc/37/21/03/454372103.db2.gz UWYKBJFGVANZFD-PKOBYXMFSA-N 2 1 343.515 3.133 20 0 EGADMP CNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000072966024 454372107 /nfs/dbraw/zinc/37/21/07/454372107.db2.gz UWYKBJFGVANZFD-PKOBYXMFSA-N 2 1 343.515 3.133 20 0 EGADMP CNC(=O)c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000072966024 454372112 /nfs/dbraw/zinc/37/21/12/454372112.db2.gz UWYKBJFGVANZFD-PKOBYXMFSA-N 2 1 343.515 3.133 20 0 EGADMP CNC(=O)c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000072966024 454372118 /nfs/dbraw/zinc/37/21/18/454372118.db2.gz UWYKBJFGVANZFD-PKOBYXMFSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCC1 ZINC000133015772 454385190 /nfs/dbraw/zinc/38/51/90/454385190.db2.gz VMGYJLFDADWUQS-GIVPXCGWSA-N 2 1 344.547 3.002 20 0 EGADMP O[C@@H](C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1)C[NH+]1CCCC1 ZINC000091306296 454424928 /nfs/dbraw/zinc/42/49/28/454424928.db2.gz AHIYGFIEDFVIEA-YOEHRIQHSA-N 2 1 343.298 3.491 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccccc1C ZINC000121425128 454434130 /nfs/dbraw/zinc/43/41/30/454434130.db2.gz FITQDIOHEUWPTQ-GOEBONIOSA-N 2 1 328.460 3.143 20 0 EGADMP CCCC[N@@H+](C)CCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073611396 454457468 /nfs/dbraw/zinc/45/74/68/454457468.db2.gz BAMUSPXHCIPWGS-UHFFFAOYSA-N 2 1 326.444 3.287 20 0 EGADMP CC[N@@H+](CCNC(=O)NCc1ccccc1C[NH+](C)C(C)C)C(C)C ZINC000102552526 454508744 /nfs/dbraw/zinc/50/87/44/454508744.db2.gz FGWHNPUHBCFRMP-UHFFFAOYSA-N 2 1 348.535 3.056 20 0 EGADMP CC[NH+](CCNC(=O)NCc1ccccc1C[N@H+](C)C(C)C)C(C)C ZINC000102552526 454508747 /nfs/dbraw/zinc/50/87/47/454508747.db2.gz FGWHNPUHBCFRMP-UHFFFAOYSA-N 2 1 348.535 3.056 20 0 EGADMP CC[NH+](CCNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C)C(C)C ZINC000102552526 454508750 /nfs/dbraw/zinc/50/87/50/454508750.db2.gz FGWHNPUHBCFRMP-UHFFFAOYSA-N 2 1 348.535 3.056 20 0 EGADMP CCC[NH+]1CCC(N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000161589332 454705486 /nfs/dbraw/zinc/70/54/86/454705486.db2.gz QGZFALBOQAYASX-QGZVFWFLSA-N 2 1 333.520 3.152 20 0 EGADMP CCCN1CCC([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000161589332 454705491 /nfs/dbraw/zinc/70/54/91/454705491.db2.gz QGZFALBOQAYASX-QGZVFWFLSA-N 2 1 333.520 3.152 20 0 EGADMP CC(=O)NC1CCC([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000161779153 454722107 /nfs/dbraw/zinc/72/21/07/454722107.db2.gz LZCWHJQNTJXFRB-UHFFFAOYSA-N 2 1 331.504 3.064 20 0 EGADMP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000635006760 460650767 /nfs/dbraw/zinc/65/07/67/460650767.db2.gz SMYUUNAQQRBJNS-MSEOUXRUSA-N 3 1 341.543 3.394 20 0 EGADMP Cc1ccccc1C[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000162144615 454754281 /nfs/dbraw/zinc/75/42/81/454754281.db2.gz QAVGDYOZBSXUEW-WAOWUJCRSA-N 2 1 329.532 3.278 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000153044275 454755900 /nfs/dbraw/zinc/75/59/00/454755900.db2.gz MYSJWXPYFUVQEZ-HOTGVXAUSA-N 2 1 339.524 3.144 20 0 EGADMP COc1cccc(Oc2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@H]3C)cn2)c1 ZINC000162678719 454792797 /nfs/dbraw/zinc/79/27/97/454792797.db2.gz NYMSKNLXAWPDPE-BEFAXECRSA-N 2 1 341.455 3.312 20 0 EGADMP COc1cccc(Oc2ccc(C[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)cn2)c1 ZINC000162678719 454792802 /nfs/dbraw/zinc/79/28/02/454792802.db2.gz NYMSKNLXAWPDPE-BEFAXECRSA-N 2 1 341.455 3.312 20 0 EGADMP C[C@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153677747 454820407 /nfs/dbraw/zinc/82/04/07/454820407.db2.gz XYFINRKVGOZZOZ-PKOBYXMFSA-N 2 1 345.531 3.295 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(C2CCCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153677747 454820411 /nfs/dbraw/zinc/82/04/11/454820411.db2.gz XYFINRKVGOZZOZ-PKOBYXMFSA-N 2 1 345.531 3.295 20 0 EGADMP COC(=O)[C@H](c1ccccc1C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000163248387 454834024 /nfs/dbraw/zinc/83/40/24/454834024.db2.gz UCVSSBAVRGNABE-IBGZPJMESA-N 2 1 332.488 3.263 20 0 EGADMP CC(C)N1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)C1=O ZINC000177426532 454862731 /nfs/dbraw/zinc/86/27/31/454862731.db2.gz VJMOVUBXYSAYLG-YLJYHZDGSA-N 2 1 343.515 3.160 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000164586023 454885306 /nfs/dbraw/zinc/88/53/06/454885306.db2.gz AVAFDVZXFMCIKM-AHRSYUTCSA-N 2 1 343.515 3.195 20 0 EGADMP CN(CC[N@@H+](C)Cc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000126425123 454892920 /nfs/dbraw/zinc/89/29/20/454892920.db2.gz XBKWDRDHXPHFTF-UHFFFAOYSA-N 2 1 343.437 3.163 20 0 EGADMP COCCC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000177890296 454917368 /nfs/dbraw/zinc/91/73/68/454917368.db2.gz CCHWCABTVGBOFU-OKZBNKHCSA-N 2 1 334.504 3.201 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000127287068 454951390 /nfs/dbraw/zinc/95/13/90/454951390.db2.gz RDNROCVSFXXZFZ-CQSZACIVSA-N 2 1 336.476 3.237 20 0 EGADMP COc1ccc(Br)cc1C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000179149313 455013352 /nfs/dbraw/zinc/01/33/52/455013352.db2.gz NOUHQAJJHHMOTL-JMSVASOKSA-N 2 1 341.293 3.276 20 0 EGADMP COc1ccc(Br)cc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000179149313 455013355 /nfs/dbraw/zinc/01/33/55/455013355.db2.gz NOUHQAJJHHMOTL-JMSVASOKSA-N 2 1 341.293 3.276 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)[C@H](C)C1 ZINC000127999340 455017056 /nfs/dbraw/zinc/01/70/56/455017056.db2.gz YGMMOKWMEAUPJP-QAPCUYQASA-N 2 1 332.492 3.036 20 0 EGADMP CC(C)[NH+](CCCN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000155840131 455052000 /nfs/dbraw/zinc/05/20/00/455052000.db2.gz ZRDFPYZBBPCXBP-FPOVZHCZSA-N 2 1 346.563 3.391 20 0 EGADMP CC(C)[NH+](CCCN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000155840131 455052003 /nfs/dbraw/zinc/05/20/03/455052003.db2.gz ZRDFPYZBBPCXBP-FPOVZHCZSA-N 2 1 346.563 3.391 20 0 EGADMP C[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000155956579 455065984 /nfs/dbraw/zinc/06/59/84/455065984.db2.gz NAFZZWXPPYTTNF-PMACEKPBSA-N 2 1 343.559 3.404 20 0 EGADMP C[C@@H](NCC[NH+]1CCC(C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000155998168 455070691 /nfs/dbraw/zinc/07/06/91/455070691.db2.gz HROCCSVKITVFRV-GOSISDBHSA-N 2 1 333.520 3.010 20 0 EGADMP C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842474 455114197 /nfs/dbraw/zinc/11/41/97/455114197.db2.gz KZKDDPRLFWSEKM-OAHLLOKOSA-N 2 1 330.394 3.401 20 0 EGADMP C[N@H+](Cc1cccc(OCC(F)(F)F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842474 455114198 /nfs/dbraw/zinc/11/41/98/455114198.db2.gz KZKDDPRLFWSEKM-OAHLLOKOSA-N 2 1 330.394 3.401 20 0 EGADMP C[NH+](Cc1cccc(OCC(F)(F)F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842474 455114199 /nfs/dbraw/zinc/11/41/99/455114199.db2.gz KZKDDPRLFWSEKM-OAHLLOKOSA-N 2 1 330.394 3.401 20 0 EGADMP C[NH+](Cc1cccc(OCC(F)(F)F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842474 455114200 /nfs/dbraw/zinc/11/42/00/455114200.db2.gz KZKDDPRLFWSEKM-OAHLLOKOSA-N 2 1 330.394 3.401 20 0 EGADMP CCC[C@@H](CCO)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000152462514 455123294 /nfs/dbraw/zinc/12/32/94/455123294.db2.gz FUUZJMXFFBINRL-SFHVURJKSA-N 2 1 336.495 3.221 20 0 EGADMP COc1cc(Br)ccc1CCC[NH2+]C1CC[NH+](C)CC1 ZINC000157162647 455169077 /nfs/dbraw/zinc/16/90/77/455169077.db2.gz IWPWUJJVMIPFFL-UHFFFAOYSA-N 2 1 341.293 3.074 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@H](C)C2 ZINC000180452958 455172630 /nfs/dbraw/zinc/17/26/30/455172630.db2.gz BYBHXMKKGJCCTM-DYESRHJHSA-N 2 1 329.532 3.092 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(C[NH3+])o1 ZINC000237344446 455175669 /nfs/dbraw/zinc/17/56/69/455175669.db2.gz UBCYUZJDLNSHDD-OAHLLOKOSA-N 2 1 341.455 3.043 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000237393031 455180557 /nfs/dbraw/zinc/18/05/57/455180557.db2.gz CVNZJTWMWOXVRL-CQSZACIVSA-N 2 1 339.443 3.016 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182908439 455188918 /nfs/dbraw/zinc/18/89/18/455188918.db2.gz YYPQJBVLLZJEEF-DLBZAZTESA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182908439 455188921 /nfs/dbraw/zinc/18/89/21/455188921.db2.gz YYPQJBVLLZJEEF-DLBZAZTESA-N 2 1 346.519 3.166 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(F)ccc1F ZINC000180642232 455216464 /nfs/dbraw/zinc/21/64/64/455216464.db2.gz MIEKCFLHVHMIGC-KSSFIOAISA-N 2 1 346.421 3.382 20 0 EGADMP CCCOc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1OC ZINC000245706286 455360983 /nfs/dbraw/zinc/36/09/83/455360983.db2.gz BXWQUDNDILBJLS-ZWKOTPCHSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1OC ZINC000245706286 455360985 /nfs/dbraw/zinc/36/09/85/455360985.db2.gz BXWQUDNDILBJLS-ZWKOTPCHSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OC ZINC000245706286 455360986 /nfs/dbraw/zinc/36/09/86/455360986.db2.gz BXWQUDNDILBJLS-ZWKOTPCHSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OC ZINC000245706286 455360987 /nfs/dbraw/zinc/36/09/87/455360987.db2.gz BXWQUDNDILBJLS-ZWKOTPCHSA-N 2 1 332.488 3.400 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000245946045 455405445 /nfs/dbraw/zinc/40/54/45/455405445.db2.gz KNFFNORHQSKLHR-MJVIPROJSA-N 2 1 332.414 3.196 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000246291541 455465170 /nfs/dbraw/zinc/46/51/70/455465170.db2.gz NIKMAINPTNYCLT-LMMKCTJWSA-N 2 1 345.531 3.339 20 0 EGADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000182248601 455471726 /nfs/dbraw/zinc/47/17/26/455471726.db2.gz KZYPREAMJCCPJH-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cnn(C)c1C(F)(F)F ZINC000191488443 455489904 /nfs/dbraw/zinc/48/99/04/455489904.db2.gz QHHGYDZPMWSMMZ-UHFFFAOYSA-N 2 1 343.397 3.110 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185677152 455594789 /nfs/dbraw/zinc/59/47/89/455594789.db2.gz RPINJMKNWRQZFX-IXDOHACOSA-N 2 1 335.536 3.066 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185677152 455594792 /nfs/dbraw/zinc/59/47/92/455594792.db2.gz RPINJMKNWRQZFX-IXDOHACOSA-N 2 1 335.536 3.066 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185708362 455602207 /nfs/dbraw/zinc/60/22/07/455602207.db2.gz SEVKRNZLZHXBJN-TYILLQQXSA-N 2 1 338.442 3.241 20 0 EGADMP CCc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185712516 455603574 /nfs/dbraw/zinc/60/35/74/455603574.db2.gz JPBJTTZWWYEHNN-SJLPKXTDSA-N 2 1 343.515 3.430 20 0 EGADMP CCc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185712516 455603577 /nfs/dbraw/zinc/60/35/77/455603577.db2.gz JPBJTTZWWYEHNN-SJLPKXTDSA-N 2 1 343.515 3.430 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000268152602 455604486 /nfs/dbraw/zinc/60/44/86/455604486.db2.gz RTACOSSRFPWYSS-IBGZPJMESA-N 2 1 347.478 3.351 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185732299 455608342 /nfs/dbraw/zinc/60/83/42/455608342.db2.gz NUSYGIYDWUIVMV-KZNAEPCWSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185732299 455608348 /nfs/dbraw/zinc/60/83/48/455608348.db2.gz NUSYGIYDWUIVMV-KZNAEPCWSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Br)cc2)[C@@H](C)C1 ZINC000247951733 455659482 /nfs/dbraw/zinc/65/94/82/455659482.db2.gz FCPLYSUYVMTNFW-BBRMVZONSA-N 2 1 325.294 3.312 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3oc(C(=O)OCC)c(C)c32)C1 ZINC000192720879 455678700 /nfs/dbraw/zinc/67/87/00/455678700.db2.gz SPZQEZYGKKQPIM-JKSUJKDBSA-N 2 1 348.487 3.464 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3oc(C(=O)OCC)c(C)c32)C1 ZINC000192720879 455678709 /nfs/dbraw/zinc/67/87/09/455678709.db2.gz SPZQEZYGKKQPIM-JKSUJKDBSA-N 2 1 348.487 3.464 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)CC1 ZINC000192741519 455682982 /nfs/dbraw/zinc/68/29/82/455682982.db2.gz SOZAFGXUZWRWMZ-PZJWPPBQSA-N 2 1 329.532 3.281 20 0 EGADMP COc1ccc2cc([C@@H](C)[NH2+]CCC[NH+]3CCC(O)CC3)ccc2c1 ZINC000268885622 455718683 /nfs/dbraw/zinc/71/86/83/455718683.db2.gz YYBXPFAEDCPCLF-MRXNPFEDSA-N 2 1 342.483 3.346 20 0 EGADMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2CCc3ccccc3NC2=O)C1 ZINC000248912592 455739796 /nfs/dbraw/zinc/73/97/96/455739796.db2.gz YMRJNGDIIXDISD-WMZOPIPTSA-N 2 1 338.455 3.036 20 0 EGADMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2CCc3ccccc3NC2=O)C1 ZINC000248912592 455739800 /nfs/dbraw/zinc/73/98/00/455739800.db2.gz YMRJNGDIIXDISD-WMZOPIPTSA-N 2 1 338.455 3.036 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186349544 455749162 /nfs/dbraw/zinc/74/91/62/455749162.db2.gz GPVZGDYHFOSDKT-QGZVFWFLSA-N 2 1 332.488 3.495 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186349544 455749166 /nfs/dbraw/zinc/74/91/66/455749166.db2.gz GPVZGDYHFOSDKT-QGZVFWFLSA-N 2 1 332.488 3.495 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186349544 455749173 /nfs/dbraw/zinc/74/91/73/455749173.db2.gz GPVZGDYHFOSDKT-QGZVFWFLSA-N 2 1 332.488 3.495 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186349544 455749180 /nfs/dbraw/zinc/74/91/80/455749180.db2.gz GPVZGDYHFOSDKT-QGZVFWFLSA-N 2 1 332.488 3.495 20 0 EGADMP Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000268990024 455755385 /nfs/dbraw/zinc/75/53/85/455755385.db2.gz MESHYLYKMDAFIH-KDOFPFPSSA-N 2 1 325.412 3.466 20 0 EGADMP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249922860 455782926 /nfs/dbraw/zinc/78/29/26/455782926.db2.gz ZCVHOYCBWXYCMF-FGTMMUONSA-N 2 1 343.515 3.160 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4C[C@@H]5OCCC[C@@H]45)[C@H]3C2)cc1 ZINC000250121923 455785305 /nfs/dbraw/zinc/78/53/05/455785305.db2.gz VNKFOIDBWWGRMY-ZWJSTQBLSA-N 2 1 326.484 3.054 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cncc(Br)c2)C1 ZINC000186591179 455801110 /nfs/dbraw/zinc/80/11/10/455801110.db2.gz OPSOVIUMOKZEPM-ZIAGYGMSSA-N 2 1 340.309 3.302 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000252197333 455802996 /nfs/dbraw/zinc/80/29/96/455802996.db2.gz SOZGKUFAIKWFLF-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000252197333 455803000 /nfs/dbraw/zinc/80/30/00/455803000.db2.gz SOZGKUFAIKWFLF-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000252197333 455803006 /nfs/dbraw/zinc/80/30/06/455803006.db2.gz SOZGKUFAIKWFLF-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000278354511 455826190 /nfs/dbraw/zinc/82/61/90/455826190.db2.gz AZZDZEWQZFUVNI-ZWKOTPCHSA-N 2 1 342.487 3.024 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1ccccc1 ZINC000285403007 455836792 /nfs/dbraw/zinc/83/67/92/455836792.db2.gz VVTQIBADNWVBRQ-LPHOPBHVSA-N 2 1 348.450 3.117 20 0 EGADMP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285430872 455843675 /nfs/dbraw/zinc/84/36/75/455843675.db2.gz FFITXQMVJQCZCI-NRFANRHFSA-N 2 1 338.499 3.135 20 0 EGADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285430872 455843677 /nfs/dbraw/zinc/84/36/77/455843677.db2.gz FFITXQMVJQCZCI-NRFANRHFSA-N 2 1 338.499 3.135 20 0 EGADMP Cc1nn(C)c(C)c1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285430872 455843680 /nfs/dbraw/zinc/84/36/80/455843680.db2.gz FFITXQMVJQCZCI-NRFANRHFSA-N 2 1 338.499 3.135 20 0 EGADMP Cc1nn(C)c(C)c1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285430872 455843682 /nfs/dbraw/zinc/84/36/82/455843682.db2.gz FFITXQMVJQCZCI-NRFANRHFSA-N 2 1 338.499 3.135 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000285505241 455859897 /nfs/dbraw/zinc/85/98/97/455859897.db2.gz CYBOLDXKAKDEKS-OWCLPIDISA-N 2 1 345.487 3.036 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000285505241 455859901 /nfs/dbraw/zinc/85/99/01/455859901.db2.gz CYBOLDXKAKDEKS-OWCLPIDISA-N 2 1 345.487 3.036 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc2nccn21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272209588 455878096 /nfs/dbraw/zinc/87/80/96/455878096.db2.gz PYTVYUIQSNHJOH-MJGOQNOKSA-N 2 1 334.467 3.335 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(O)c1 ZINC000194956710 455905566 /nfs/dbraw/zinc/90/55/66/455905566.db2.gz ILZYFTKMVNXSPS-OXQOHEQNSA-N 2 1 340.467 3.200 20 0 EGADMP COc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)ccc1OC(F)F ZINC000261739582 455937912 /nfs/dbraw/zinc/93/79/12/455937912.db2.gz SROPNSKSILVULZ-CQSZACIVSA-N 2 1 340.414 3.261 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000285926246 455943892 /nfs/dbraw/zinc/94/38/92/455943892.db2.gz CQZQCEHGJCMQOL-HOTGVXAUSA-N 2 1 345.487 3.036 20 0 EGADMP CCCn1nc(C)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1C ZINC000261773431 455944463 /nfs/dbraw/zinc/94/44/63/455944463.db2.gz SKLJAKDFIZNZIT-QUCCMNQESA-N 2 1 326.488 3.084 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3ccccc3[nH]c2=O)C[C@H]1c1ccccc1 ZINC000261871849 455962037 /nfs/dbraw/zinc/96/20/37/455962037.db2.gz XMHDYOKPISGQKZ-MOPGFXCFSA-N 2 1 333.435 3.115 20 0 EGADMP [NH3+]C1(c2noc([C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)n2)CCCC1 ZINC000261901588 455968411 /nfs/dbraw/zinc/96/84/11/455968411.db2.gz YPIPHQVJHCJGRG-OAHLLOKOSA-N 2 1 344.434 3.316 20 0 EGADMP Cc1nccn1CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000270660715 456007845 /nfs/dbraw/zinc/00/78/45/456007845.db2.gz OUNYYLBVZLPYJD-UHFFFAOYSA-N 2 1 326.488 3.036 20 0 EGADMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2)C(C)C ZINC000286260998 456010680 /nfs/dbraw/zinc/01/06/80/456010680.db2.gz UXGPOCTZQRSKCD-HNNXBMFYSA-N 2 1 333.476 3.177 20 0 EGADMP C[C@H](N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272665211 456030690 /nfs/dbraw/zinc/03/06/90/456030690.db2.gz SDAZVAITEQODCP-PIKOESSRSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H](N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272665211 456030695 /nfs/dbraw/zinc/03/06/95/456030695.db2.gz SDAZVAITEQODCP-PIKOESSRSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H](N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272665211 456030698 /nfs/dbraw/zinc/03/06/98/456030698.db2.gz SDAZVAITEQODCP-PIKOESSRSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272665211 456030703 /nfs/dbraw/zinc/03/07/03/456030703.db2.gz SDAZVAITEQODCP-PIKOESSRSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272665211 456030708 /nfs/dbraw/zinc/03/07/08/456030708.db2.gz SDAZVAITEQODCP-PIKOESSRSA-N 2 1 327.516 3.112 20 0 EGADMP Cc1c[nH+]ccc1OC1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000280776119 456049701 /nfs/dbraw/zinc/04/97/01/456049701.db2.gz GMQAUAFXTFPMPA-UHFFFAOYSA-N 2 1 346.471 3.167 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000262987462 456074516 /nfs/dbraw/zinc/07/45/16/456074516.db2.gz NIFMPGSMZSGCDZ-UYAOXDASSA-N 2 1 331.504 3.051 20 0 EGADMP O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000280968217 456095493 /nfs/dbraw/zinc/09/54/93/456095493.db2.gz KGUAJHIPGUSKQK-GUDVDZBRSA-N 2 1 340.471 3.173 20 0 EGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cscn1 ZINC000271064106 456116256 /nfs/dbraw/zinc/11/62/56/456116256.db2.gz CRNHGYWYYDFPPW-VQIMIIECSA-N 2 1 344.528 3.173 20 0 EGADMP C[C@H](CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[C@@H]1CCC[NH2+]C1 ZINC000263265872 456117678 /nfs/dbraw/zinc/11/76/78/456117678.db2.gz NODCHSRCACGPEV-UAFMIMERSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1cc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cn2cc[nH+]c12 ZINC000297143774 456131180 /nfs/dbraw/zinc/13/11/80/456131180.db2.gz ZLPGARXFPNPJAX-UHFFFAOYSA-N 2 1 341.459 3.171 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(CCC(N)=O)CC1 ZINC000271206561 456172108 /nfs/dbraw/zinc/17/21/08/456172108.db2.gz RZXWGQRVZOWCSR-UHFFFAOYSA-N 2 1 345.531 3.122 20 0 EGADMP C[N@H+](Cc1ccccc1C[NH2+]CN1CCC(=O)CC1)C1CCCCC1 ZINC000273105374 456179075 /nfs/dbraw/zinc/17/90/75/456179075.db2.gz QIJFKAHXSZUWSD-UHFFFAOYSA-N 2 1 343.515 3.163 20 0 EGADMP C[N@@H+](Cc1ccccc1C[NH2+]CN1CCC(=O)CC1)C1CCCCC1 ZINC000273105374 456179080 /nfs/dbraw/zinc/17/90/80/456179080.db2.gz QIJFKAHXSZUWSD-UHFFFAOYSA-N 2 1 343.515 3.163 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000273161793 456196467 /nfs/dbraw/zinc/19/64/67/456196467.db2.gz CITYGNZKUJMBCJ-SCTDSRPQSA-N 2 1 345.531 3.322 20 0 EGADMP COc1cc(C[NH2+]CCC[NH+]2CCCC2)ccc1OCC(F)(F)F ZINC000237152512 456239219 /nfs/dbraw/zinc/23/92/19/456239219.db2.gz HFKBDCCPSXPJKO-UHFFFAOYSA-N 2 1 346.393 3.212 20 0 EGADMP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1nc(C(C)(C)C)no1 ZINC000333877054 456270563 /nfs/dbraw/zinc/27/05/63/456270563.db2.gz QRJAAGAKQWQMDR-ZDUSSCGKSA-N 2 1 329.448 3.082 20 0 EGADMP CC(C)c1nc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(N(C)C)n1 ZINC000302061869 456277613 /nfs/dbraw/zinc/27/76/13/456277613.db2.gz UDINRCUCSRUKIT-CABCVRRESA-N 2 1 346.523 3.126 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cnn1-c1ccc(F)cc1 ZINC000347657552 456286680 /nfs/dbraw/zinc/28/66/80/456286680.db2.gz UMJGXUHUKVCGJJ-PBHICJAKSA-N 2 1 330.451 3.455 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cnn1-c1ccc(F)cc1 ZINC000347657552 456286687 /nfs/dbraw/zinc/28/66/87/456286687.db2.gz UMJGXUHUKVCGJJ-PBHICJAKSA-N 2 1 330.451 3.455 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)s1 ZINC000352765614 456286857 /nfs/dbraw/zinc/28/68/57/456286857.db2.gz PXNGBQSMFBFXMA-APWZRJJASA-N 2 1 345.512 3.462 20 0 EGADMP Cc1cc(C)n(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340184738 456298283 /nfs/dbraw/zinc/29/82/83/456298283.db2.gz ULCDUIMNRUMQDZ-UXHICEINSA-N 2 1 326.488 3.315 20 0 EGADMP Cc1cc(C)n(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340184738 456298289 /nfs/dbraw/zinc/29/82/89/456298289.db2.gz ULCDUIMNRUMQDZ-UXHICEINSA-N 2 1 326.488 3.315 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H](O)c1ccccc1 ZINC000290378219 456310003 /nfs/dbraw/zinc/31/00/03/456310003.db2.gz RQMABUBYWISPDJ-AVRDEDQJSA-N 2 1 338.495 3.405 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000342913826 456309915 /nfs/dbraw/zinc/30/99/15/456309915.db2.gz LCCCTHGZVZHKIC-HXUWFJFHSA-N 2 1 339.483 3.057 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CO)c(F)c2)C[C@H]1c1ccccc1 ZINC000340205307 456315118 /nfs/dbraw/zinc/31/51/18/456315118.db2.gz PGDWWFUISRQKMB-ICSRJNTNSA-N 2 1 328.431 3.243 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CO)c(F)c2)C[C@H]1c1ccccc1 ZINC000340205307 456315121 /nfs/dbraw/zinc/31/51/21/456315121.db2.gz PGDWWFUISRQKMB-ICSRJNTNSA-N 2 1 328.431 3.243 20 0 EGADMP CC(C)COc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000342926241 456319075 /nfs/dbraw/zinc/31/90/75/456319075.db2.gz KWPPQPUQENIOGC-CEWLAPEOSA-N 2 1 346.515 3.405 20 0 EGADMP CC(C)COc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000342926241 456319077 /nfs/dbraw/zinc/31/90/77/456319077.db2.gz KWPPQPUQENIOGC-CEWLAPEOSA-N 2 1 346.515 3.405 20 0 EGADMP C[N@H+]1CC[C@@H](NCC(=O)Nc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000340215894 456320291 /nfs/dbraw/zinc/32/02/91/456320291.db2.gz KYXGYJCWKRIKKF-RTBURBONSA-N 2 1 341.430 3.189 20 0 EGADMP CN1CC[C@@H]([NH2+]CC(=O)Nc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000340215894 456320297 /nfs/dbraw/zinc/32/02/97/456320297.db2.gz KYXGYJCWKRIKKF-RTBURBONSA-N 2 1 341.430 3.189 20 0 EGADMP FC(F)(F)c1cscc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000352809918 456328932 /nfs/dbraw/zinc/32/89/32/456328932.db2.gz KFKOBKCKXKQYDM-GFCCVEGCSA-N 2 1 348.434 3.357 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000290544564 456359433 /nfs/dbraw/zinc/35/94/33/456359433.db2.gz RLJDGSMIUZEFKA-YJBOKZPZSA-N 2 1 326.444 3.041 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000290544564 456359436 /nfs/dbraw/zinc/35/94/36/456359436.db2.gz RLJDGSMIUZEFKA-YJBOKZPZSA-N 2 1 326.444 3.041 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000290544564 456359442 /nfs/dbraw/zinc/35/94/42/456359442.db2.gz RLJDGSMIUZEFKA-YJBOKZPZSA-N 2 1 326.444 3.041 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000290544564 456359444 /nfs/dbraw/zinc/35/94/44/456359444.db2.gz RLJDGSMIUZEFKA-YJBOKZPZSA-N 2 1 326.444 3.041 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000281929877 456365577 /nfs/dbraw/zinc/36/55/77/456365577.db2.gz KIEXFCQYERGLAB-KRWDZBQOSA-N 2 1 331.504 3.120 20 0 EGADMP CC[NH+](CC)[C@@H](CN[C@@H]1C[N@H+](CC)C[C@@H]1C)c1cccc(OC)c1 ZINC000343051765 456372254 /nfs/dbraw/zinc/37/22/54/456372254.db2.gz SDLRLNPYXPGHAV-DBVUQKKJSA-N 2 1 333.520 3.008 20 0 EGADMP CC[NH+](CC)[C@@H](CN[C@@H]1C[N@@H+](CC)C[C@@H]1C)c1cccc(OC)c1 ZINC000343051765 456372259 /nfs/dbraw/zinc/37/22/59/456372259.db2.gz SDLRLNPYXPGHAV-DBVUQKKJSA-N 2 1 333.520 3.008 20 0 EGADMP COc1ccc(C[N@@H+](C)CCCn2ccnc2C)c(Cl)c1OC ZINC000290622303 456386072 /nfs/dbraw/zinc/38/60/72/456386072.db2.gz XIQSBNIPKQRNDH-UHFFFAOYSA-N 2 1 337.851 3.384 20 0 EGADMP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c(Cl)c1OC ZINC000290622303 456386088 /nfs/dbraw/zinc/38/60/88/456386088.db2.gz XIQSBNIPKQRNDH-UHFFFAOYSA-N 2 1 337.851 3.384 20 0 EGADMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2ccc(COCC(F)(F)F)cc2)C1 ZINC000343156293 456439435 /nfs/dbraw/zinc/43/94/35/456439435.db2.gz BAAFLXOAMZMJTP-CJNGLKHVSA-N 2 1 330.394 3.195 20 0 EGADMP Cc1[nH+]c2ccccc2c(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1C ZINC000343247245 456480181 /nfs/dbraw/zinc/48/01/81/456480181.db2.gz GRCQUYALKNKNFZ-RHSMWYFYSA-N 2 1 325.456 3.151 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)CC(C)C)cc1)C1CC1 ZINC000340526693 456511834 /nfs/dbraw/zinc/51/18/34/456511834.db2.gz QPUNDXDYCMCNIF-UHFFFAOYSA-N 2 1 345.531 3.331 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccncc1F ZINC000340535668 456517264 /nfs/dbraw/zinc/51/72/64/456517264.db2.gz QXBIEFUJRAQVDA-OAHLLOKOSA-N 2 1 343.446 3.028 20 0 EGADMP CC(C)CCn1cccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000305128150 456528636 /nfs/dbraw/zinc/52/86/36/456528636.db2.gz JAKALDYKTRIPTB-RTWAWAEBSA-N 2 1 347.547 3.392 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CCCCO1 ZINC000291203570 456563478 /nfs/dbraw/zinc/56/34/78/456563478.db2.gz QKFCCBJSZOBRNS-JXFKEZNVSA-N 2 1 334.479 3.380 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC(F)F ZINC000282612857 456568116 /nfs/dbraw/zinc/56/81/16/456568116.db2.gz ZBHKANANGPRIAI-MRXNPFEDSA-N 2 1 326.431 3.158 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC(F)F ZINC000282612857 456568119 /nfs/dbraw/zinc/56/81/19/456568119.db2.gz ZBHKANANGPRIAI-MRXNPFEDSA-N 2 1 326.431 3.158 20 0 EGADMP COc1ncc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309707287 456575633 /nfs/dbraw/zinc/57/56/33/456575633.db2.gz IKAUSUHXPMKGAD-GOEBONIOSA-N 2 1 331.485 3.152 20 0 EGADMP COc1ncc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309707287 456575639 /nfs/dbraw/zinc/57/56/39/456575639.db2.gz IKAUSUHXPMKGAD-GOEBONIOSA-N 2 1 331.485 3.152 20 0 EGADMP CC[N@@H+]1CCC[C@H](CN(C)c2cc(C)cc[nH+]2)[C@H]1c1cnn(C)c1 ZINC000337867768 456577098 /nfs/dbraw/zinc/57/70/98/456577098.db2.gz LTJBEWFGQUHKDP-APWZRJJASA-N 2 1 327.476 3.033 20 0 EGADMP CC[N@H+]1CCC[C@H](CN(C)c2cc(C)cc[nH+]2)[C@H]1c1cnn(C)c1 ZINC000337867768 456577106 /nfs/dbraw/zinc/57/71/06/456577106.db2.gz LTJBEWFGQUHKDP-APWZRJJASA-N 2 1 327.476 3.033 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000310058373 456580509 /nfs/dbraw/zinc/58/05/09/456580509.db2.gz TUAAWHHDSKYGTC-IAGOWNOFSA-N 2 1 339.524 3.286 20 0 EGADMP c1ccc([C@@H]2C[C@H]2C[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000348265984 456582878 /nfs/dbraw/zinc/58/28/78/456582878.db2.gz XQRIDMBUTHVEGM-PMACEKPBSA-N 2 1 328.500 3.415 20 0 EGADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000353245343 456583555 /nfs/dbraw/zinc/58/35/55/456583555.db2.gz UDDYLMGJYREVAW-UZLBHIALSA-N 2 1 346.515 3.244 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000348268553 456584820 /nfs/dbraw/zinc/58/48/20/456584820.db2.gz DMWSFBLIAMFDJU-UHFFFAOYSA-N 2 1 349.482 3.342 20 0 EGADMP CC(C)(C)OC(=O)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310978903 456586129 /nfs/dbraw/zinc/58/61/29/456586129.db2.gz DQIRBTAIBUCJRL-OALUTQOASA-N 2 1 344.499 3.172 20 0 EGADMP CC(C)(C)OC(=O)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310978903 456586132 /nfs/dbraw/zinc/58/61/32/456586132.db2.gz DQIRBTAIBUCJRL-OALUTQOASA-N 2 1 344.499 3.172 20 0 EGADMP CC(C)(C)OC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310978903 456586137 /nfs/dbraw/zinc/58/61/37/456586137.db2.gz DQIRBTAIBUCJRL-OALUTQOASA-N 2 1 344.499 3.172 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291280558 456588510 /nfs/dbraw/zinc/58/85/10/456588510.db2.gz YROQLEMGBXHMOY-CJNGLKHVSA-N 2 1 330.394 3.012 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291280558 456588516 /nfs/dbraw/zinc/58/85/16/456588516.db2.gz YROQLEMGBXHMOY-CJNGLKHVSA-N 2 1 330.394 3.012 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291280558 456588521 /nfs/dbraw/zinc/58/85/21/456588521.db2.gz YROQLEMGBXHMOY-CJNGLKHVSA-N 2 1 330.394 3.012 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291280558 456588524 /nfs/dbraw/zinc/58/85/24/456588524.db2.gz YROQLEMGBXHMOY-CJNGLKHVSA-N 2 1 330.394 3.012 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000313815323 456601644 /nfs/dbraw/zinc/60/16/44/456601644.db2.gz WUVNFWDNZJGYOQ-XJKCOSOUSA-N 2 1 325.294 3.310 20 0 EGADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000353312566 456630465 /nfs/dbraw/zinc/63/04/65/456630465.db2.gz IZMKNVNUHJZVDS-OXJNMPFZSA-N 2 1 346.515 3.100 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000321052618 456634502 /nfs/dbraw/zinc/63/45/02/456634502.db2.gz HCVYTQJJKBKEPV-CCKFTAQKSA-N 2 1 332.875 3.264 20 0 EGADMP c1[nH]c2nccnc2c1CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000291433443 456642285 /nfs/dbraw/zinc/64/22/85/456642285.db2.gz BJMOPGMYSGPREY-OAQYLSRUSA-N 2 1 347.466 3.056 20 0 EGADMP c1[nH]c2nccnc2c1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000291433443 456642290 /nfs/dbraw/zinc/64/22/90/456642290.db2.gz BJMOPGMYSGPREY-OAQYLSRUSA-N 2 1 347.466 3.056 20 0 EGADMP c1[nH]c2nccnc2c1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000291433443 456642293 /nfs/dbraw/zinc/64/22/93/456642293.db2.gz BJMOPGMYSGPREY-OAQYLSRUSA-N 2 1 347.466 3.056 20 0 EGADMP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000323770809 456655334 /nfs/dbraw/zinc/65/53/34/456655334.db2.gz ZIHFTTNWWURHMJ-HXUWFJFHSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000277022572 456655407 /nfs/dbraw/zinc/65/54/07/456655407.db2.gz DJNOVBVWLPTITC-RLVOKJKJSA-N 2 1 348.506 3.218 20 0 EGADMP CCCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)c1ccccc1 ZINC000338236986 456724692 /nfs/dbraw/zinc/72/46/92/456724692.db2.gz WHKWGPHFNLRANR-SFHVURJKSA-N 2 1 331.504 3.014 20 0 EGADMP CCCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)c1ccccc1 ZINC000338236986 456724696 /nfs/dbraw/zinc/72/46/96/456724696.db2.gz WHKWGPHFNLRANR-SFHVURJKSA-N 2 1 331.504 3.014 20 0 EGADMP CC[N@@H+](C)CCNC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000299611373 456744201 /nfs/dbraw/zinc/74/42/01/456744201.db2.gz IPOHCYUTJFHGMH-UHFFFAOYSA-N 2 1 339.483 3.000 20 0 EGADMP CC[NH+](C)CCNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000299611373 456744208 /nfs/dbraw/zinc/74/42/08/456744208.db2.gz IPOHCYUTJFHGMH-UHFFFAOYSA-N 2 1 339.483 3.000 20 0 EGADMP CC[NH+](C)CCNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000299611373 456744212 /nfs/dbraw/zinc/74/42/12/456744212.db2.gz IPOHCYUTJFHGMH-UHFFFAOYSA-N 2 1 339.483 3.000 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)CCCN(C)Cc1ccco1 ZINC000353544155 456746861 /nfs/dbraw/zinc/74/68/61/456746861.db2.gz AUQQHVLQENGWCY-AOIWGVFYSA-N 2 1 349.519 3.117 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000353544155 456746867 /nfs/dbraw/zinc/74/68/67/456746867.db2.gz AUQQHVLQENGWCY-AOIWGVFYSA-N 2 1 349.519 3.117 20 0 EGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1O ZINC000277279421 456757784 /nfs/dbraw/zinc/75/77/84/456757784.db2.gz SKLJJXAGDPFGCK-SJLPKXTDSA-N 2 1 334.504 3.432 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000291969402 456814722 /nfs/dbraw/zinc/81/47/22/456814722.db2.gz RYXNYDIPMPWCJQ-USXIJHARSA-N 2 1 342.405 3.155 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000291969402 456814726 /nfs/dbraw/zinc/81/47/26/456814726.db2.gz RYXNYDIPMPWCJQ-USXIJHARSA-N 2 1 342.405 3.155 20 0 EGADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000353676342 456848712 /nfs/dbraw/zinc/84/87/12/456848712.db2.gz XIEQUVNVLMTISX-VQSBLYBRSA-N 3 1 341.543 3.359 20 0 EGADMP CCc1oc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C(=O)OC ZINC000338948137 456868991 /nfs/dbraw/zinc/86/89/91/456868991.db2.gz MCMNBUZHKFCQFU-KDOFPFPSSA-N 2 1 346.471 3.077 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@@H]1C ZINC000353749747 456889148 /nfs/dbraw/zinc/88/91/48/456889148.db2.gz MGXVPRQRJWRPDD-YJBOKZPZSA-N 2 1 342.487 3.390 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@@H]1C ZINC000353749747 456889150 /nfs/dbraw/zinc/88/91/50/456889150.db2.gz MGXVPRQRJWRPDD-YJBOKZPZSA-N 2 1 342.487 3.390 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@@H]1C ZINC000353749747 456889152 /nfs/dbraw/zinc/88/91/52/456889152.db2.gz MGXVPRQRJWRPDD-YJBOKZPZSA-N 2 1 342.487 3.390 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@@H]1C ZINC000353749747 456889157 /nfs/dbraw/zinc/88/91/57/456889157.db2.gz MGXVPRQRJWRPDD-YJBOKZPZSA-N 2 1 342.487 3.390 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC000339011421 456899397 /nfs/dbraw/zinc/89/93/97/456899397.db2.gz RTUSTVXWLVYBDQ-HNNXBMFYSA-N 2 1 328.859 3.412 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000339011421 456899400 /nfs/dbraw/zinc/89/94/00/456899400.db2.gz RTUSTVXWLVYBDQ-HNNXBMFYSA-N 2 1 328.859 3.412 20 0 EGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000339044911 456914393 /nfs/dbraw/zinc/91/43/93/456914393.db2.gz QAQQRUFPEFSWTA-YZGWKJHDSA-N 2 1 331.504 3.197 20 0 EGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000339044911 456914396 /nfs/dbraw/zinc/91/43/96/456914396.db2.gz QAQQRUFPEFSWTA-YZGWKJHDSA-N 2 1 331.504 3.197 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3)C[C@H]2OC)CC1 ZINC000353819134 456921285 /nfs/dbraw/zinc/92/12/85/456921285.db2.gz PZVDPRIBQDJQCJ-HMXCVIKNSA-N 2 1 346.515 3.038 20 0 EGADMP FC(F)(F)COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339068715 456925692 /nfs/dbraw/zinc/92/56/92/456925692.db2.gz PIMKWQXFFLKFDP-CABCVRRESA-N 2 1 328.378 3.344 20 0 EGADMP FC(F)(F)COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339068715 456925697 /nfs/dbraw/zinc/92/56/97/456925697.db2.gz PIMKWQXFFLKFDP-CABCVRRESA-N 2 1 328.378 3.344 20 0 EGADMP Cc1oc2ccccc2c1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349290879 456933351 /nfs/dbraw/zinc/93/33/51/456933351.db2.gz YIWCOQBVVCLVHF-INIZCTEOSA-N 2 1 341.499 3.342 20 0 EGADMP CC[C@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)[NH+](CC)CC ZINC000345164095 456949265 /nfs/dbraw/zinc/94/92/65/456949265.db2.gz MTZMVHRGGCGIBA-LJQANCHMSA-N 2 1 333.520 3.263 20 0 EGADMP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccsc1 ZINC000349384800 456960071 /nfs/dbraw/zinc/96/00/71/456960071.db2.gz XVVDJPJXVSDZLC-AFYVEPGGSA-N 2 1 342.508 3.282 20 0 EGADMP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccsc1 ZINC000349384800 456960075 /nfs/dbraw/zinc/96/00/75/456960075.db2.gz XVVDJPJXVSDZLC-AFYVEPGGSA-N 2 1 342.508 3.282 20 0 EGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000349445154 456969012 /nfs/dbraw/zinc/96/90/12/456969012.db2.gz FCJRCVDMECAEKA-HNAYVOBHSA-N 2 1 336.907 3.400 20 0 EGADMP Cc1cccc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000358868899 457014575 /nfs/dbraw/zinc/01/45/75/457014575.db2.gz DRBRYSLRJTVRNO-KDURUIRLSA-N 2 1 346.515 3.085 20 0 EGADMP Cc1cccc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000358868899 457014577 /nfs/dbraw/zinc/01/45/77/457014577.db2.gz DRBRYSLRJTVRNO-KDURUIRLSA-N 2 1 346.515 3.085 20 0 EGADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000346501112 457047717 /nfs/dbraw/zinc/04/77/17/457047717.db2.gz ZIEHLLMPGTZIRA-SUMWQHHRSA-N 2 1 345.830 3.215 20 0 EGADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000346501112 457047723 /nfs/dbraw/zinc/04/77/23/457047723.db2.gz ZIEHLLMPGTZIRA-SUMWQHHRSA-N 2 1 345.830 3.215 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000354082024 457050138 /nfs/dbraw/zinc/05/01/38/457050138.db2.gz JJJAOLGPMQXGIG-CQSZACIVSA-N 2 1 345.409 3.033 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000354082024 457050142 /nfs/dbraw/zinc/05/01/42/457050142.db2.gz JJJAOLGPMQXGIG-CQSZACIVSA-N 2 1 345.409 3.033 20 0 EGADMP CC[C@H](C(=O)NCC[NH+](C(C)C)C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000339367947 457071147 /nfs/dbraw/zinc/07/11/47/457071147.db2.gz XYVVCRYOFGBQIZ-LJQANCHMSA-N 2 1 333.520 3.132 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3OCC(F)(F)F)C[C@H]21 ZINC000342090355 457102069 /nfs/dbraw/zinc/10/20/69/457102069.db2.gz TUMBYETWAOENIH-NWANDNLSSA-N 2 1 328.378 3.187 20 0 EGADMP COc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000342094326 457104277 /nfs/dbraw/zinc/10/42/77/457104277.db2.gz FQMJPISMJRJQAY-JCGIZDLHSA-N 2 1 343.496 3.378 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000342094326 457104283 /nfs/dbraw/zinc/10/42/83/457104283.db2.gz FQMJPISMJRJQAY-JCGIZDLHSA-N 2 1 343.496 3.378 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342117615 457117884 /nfs/dbraw/zinc/11/78/84/457117884.db2.gz GOLDWIAYGIEGPB-FZDIXFNVSA-N 2 1 343.515 3.198 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342117615 457117892 /nfs/dbraw/zinc/11/78/92/457117892.db2.gz GOLDWIAYGIEGPB-FZDIXFNVSA-N 2 1 343.515 3.198 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000359769673 457128700 /nfs/dbraw/zinc/12/87/00/457128700.db2.gz YVMICAXGLOJQIJ-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000359769673 457128706 /nfs/dbraw/zinc/12/87/06/457128706.db2.gz YVMICAXGLOJQIJ-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000359769673 457128710 /nfs/dbraw/zinc/12/87/10/457128710.db2.gz YVMICAXGLOJQIJ-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346825170 457178551 /nfs/dbraw/zinc/17/85/51/457178551.db2.gz ATYFEWGYCMFJSX-KKXDTOCCSA-N 2 1 330.863 3.003 20 0 EGADMP C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)cn1 ZINC000359972961 457180162 /nfs/dbraw/zinc/18/01/62/457180162.db2.gz ZKHIXQSNWOPBRP-KDOFPFPSSA-N 2 1 345.874 3.152 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)cn1 ZINC000359972961 457180170 /nfs/dbraw/zinc/18/01/70/457180170.db2.gz ZKHIXQSNWOPBRP-KDOFPFPSSA-N 2 1 345.874 3.152 20 0 EGADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356910811 457214579 /nfs/dbraw/zinc/21/45/79/457214579.db2.gz YZFMRWDJSQFAGZ-LSDHHAIUSA-N 2 1 335.458 3.113 20 0 EGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356910811 457214587 /nfs/dbraw/zinc/21/45/87/457214587.db2.gz YZFMRWDJSQFAGZ-LSDHHAIUSA-N 2 1 335.458 3.113 20 0 EGADMP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000354477120 457248070 /nfs/dbraw/zinc/24/80/70/457248070.db2.gz JQFWABUNLSWHNB-HKUYNNGSSA-N 2 1 331.504 3.011 20 0 EGADMP CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000354477120 457248076 /nfs/dbraw/zinc/24/80/76/457248076.db2.gz JQFWABUNLSWHNB-HKUYNNGSSA-N 2 1 331.504 3.011 20 0 EGADMP CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000354477120 457248081 /nfs/dbraw/zinc/24/80/81/457248081.db2.gz JQFWABUNLSWHNB-HKUYNNGSSA-N 2 1 331.504 3.011 20 0 EGADMP CC(C)CNC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000357021210 457281076 /nfs/dbraw/zinc/28/10/76/457281076.db2.gz YRYLRBUUZPXAIK-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cncc(F)c1 ZINC000347203378 457286271 /nfs/dbraw/zinc/28/62/71/457286271.db2.gz PIPAJKKVMSIOED-HOTGVXAUSA-N 2 1 327.447 3.467 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cnn(Cc3ccccc3)c2)C1 ZINC000339832213 457298230 /nfs/dbraw/zinc/29/82/30/457298230.db2.gz VCFLEWMCDYHJJP-HXUWFJFHSA-N 2 1 338.499 3.095 20 0 EGADMP COc1cc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000357049530 457298670 /nfs/dbraw/zinc/29/86/70/457298670.db2.gz XPNRYQROJIWTHS-UHFFFAOYSA-N 2 1 340.471 3.224 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCCc2nc(C)no2)CC1)CC1CC1 ZINC000357083772 457313419 /nfs/dbraw/zinc/31/34/19/457313419.db2.gz KKABARAQWFFIBN-UHFFFAOYSA-N 2 1 334.508 3.145 20 0 EGADMP C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357090430 457317166 /nfs/dbraw/zinc/31/71/66/457317166.db2.gz VPMLIZYMNNXGGD-GXTWGEPZSA-N 2 1 332.473 3.181 20 0 EGADMP CCN(CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)CC(F)(F)F ZINC000355052305 457339998 /nfs/dbraw/zinc/33/99/98/457339998.db2.gz NWAGUISTGXYNDR-DOTOQJQBSA-N 2 1 347.469 3.209 20 0 EGADMP CCN(CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)CC(F)(F)F ZINC000355052305 457340002 /nfs/dbraw/zinc/34/00/02/457340002.db2.gz NWAGUISTGXYNDR-DOTOQJQBSA-N 2 1 347.469 3.209 20 0 EGADMP CCN(CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)CC(F)(F)F ZINC000355052305 457340006 /nfs/dbraw/zinc/34/00/06/457340006.db2.gz NWAGUISTGXYNDR-DOTOQJQBSA-N 2 1 347.469 3.209 20 0 EGADMP CCN(CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)CC(F)(F)F ZINC000355052305 457340010 /nfs/dbraw/zinc/34/00/10/457340010.db2.gz NWAGUISTGXYNDR-DOTOQJQBSA-N 2 1 347.469 3.209 20 0 EGADMP CCOC(=O)CCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352433915 457364528 /nfs/dbraw/zinc/36/45/28/457364528.db2.gz ZBGIJOIKKCWWMK-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)CCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352433915 457364531 /nfs/dbraw/zinc/36/45/31/457364531.db2.gz ZBGIJOIKKCWWMK-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)CCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352433915 457364535 /nfs/dbraw/zinc/36/45/35/457364535.db2.gz ZBGIJOIKKCWWMK-WOJBJXKFSA-N 2 1 344.499 3.174 20 0 EGADMP CCc1nnc([C@H](C)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000352447850 457373327 /nfs/dbraw/zinc/37/33/27/457373327.db2.gz OVGBAZQYBMXDFV-CGTJXYLNSA-N 2 1 340.471 3.147 20 0 EGADMP CN(C)[C@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000342653213 457431067 /nfs/dbraw/zinc/43/10/67/457431067.db2.gz VFOBBCXIYLYIDS-IBGZPJMESA-N 2 1 331.504 3.012 20 0 EGADMP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000342653213 457431070 /nfs/dbraw/zinc/43/10/70/457431070.db2.gz VFOBBCXIYLYIDS-IBGZPJMESA-N 2 1 331.504 3.012 20 0 EGADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000342653213 457431078 /nfs/dbraw/zinc/43/10/78/457431078.db2.gz VFOBBCXIYLYIDS-IBGZPJMESA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccc(Cl)cc1 ZINC000352520152 457435896 /nfs/dbraw/zinc/43/58/96/457435896.db2.gz VTWGSAVSKQMQBP-IRXDYDNUSA-N 2 1 337.895 3.111 20 0 EGADMP CC[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccc(Cl)cc1 ZINC000352520152 457435901 /nfs/dbraw/zinc/43/59/01/457435901.db2.gz VTWGSAVSKQMQBP-IRXDYDNUSA-N 2 1 337.895 3.111 20 0 EGADMP CCCCOc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000352534809 457446208 /nfs/dbraw/zinc/44/62/08/457446208.db2.gz JKFFIUIOLSFRMD-FQEVSTJZSA-N 2 1 332.488 3.450 20 0 EGADMP CCCCOc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000352534809 457446211 /nfs/dbraw/zinc/44/62/11/457446211.db2.gz JKFFIUIOLSFRMD-FQEVSTJZSA-N 2 1 332.488 3.450 20 0 EGADMP COc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OCC(C)C ZINC000352539914 457451450 /nfs/dbraw/zinc/45/14/50/457451450.db2.gz DYIPNXKMSYEODV-HXUWFJFHSA-N 2 1 332.488 3.306 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OCC(C)C ZINC000352539914 457451460 /nfs/dbraw/zinc/45/14/60/457451460.db2.gz DYIPNXKMSYEODV-HXUWFJFHSA-N 2 1 332.488 3.306 20 0 EGADMP CCN(Cc1cnn(C)c1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000352671513 457518083 /nfs/dbraw/zinc/51/80/83/457518083.db2.gz JCRFGEXKMXWQHA-UHFFFAOYSA-N 2 1 328.504 3.400 20 0 EGADMP CO[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)C1CC1 ZINC000425418430 457544336 /nfs/dbraw/zinc/54/43/36/457544336.db2.gz IPIHUOIXFPJRJT-NHCUHLMSSA-N 2 1 328.500 3.400 20 0 EGADMP CO[C@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000425418430 457544340 /nfs/dbraw/zinc/54/43/40/457544340.db2.gz IPIHUOIXFPJRJT-NHCUHLMSSA-N 2 1 328.500 3.400 20 0 EGADMP CO[C@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000425418430 457544343 /nfs/dbraw/zinc/54/43/43/457544343.db2.gz IPIHUOIXFPJRJT-NHCUHLMSSA-N 2 1 328.500 3.400 20 0 EGADMP Cc1cccnc1CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000404970080 457551016 /nfs/dbraw/zinc/55/10/16/457551016.db2.gz KROHYBDPQUMFKI-TUNNFDKTSA-N 2 1 335.495 3.433 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000425454894 457560991 /nfs/dbraw/zinc/56/09/91/457560991.db2.gz HAHLCNCTYRWMTK-KSSFIOAISA-N 2 1 340.471 3.231 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC1CCCC1 ZINC000361106633 457583895 /nfs/dbraw/zinc/58/38/95/457583895.db2.gz FVUCTQDELJYVGJ-CRAIPNDOSA-N 2 1 332.488 3.446 20 0 EGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCC1CCC1 ZINC000370215205 457588187 /nfs/dbraw/zinc/58/81/87/457588187.db2.gz JHOVSFQDVOYRAE-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC2(CCC[N@H+](Cc3nc(-c4cccs4)no3)C2)CC1 ZINC000370705174 457703444 /nfs/dbraw/zinc/70/34/44/457703444.db2.gz FIBUAXZJJQKTAM-UHFFFAOYSA-N 2 1 332.473 3.106 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc(-c4cccs4)no3)C2)CC1 ZINC000370705174 457703447 /nfs/dbraw/zinc/70/34/47/457703447.db2.gz FIBUAXZJJQKTAM-UHFFFAOYSA-N 2 1 332.473 3.106 20 0 EGADMP C[C@@H](c1cccnc1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371154685 457809262 /nfs/dbraw/zinc/80/92/62/457809262.db2.gz FJFLFHJWXLGULK-SFHVURJKSA-N 2 1 344.547 3.271 20 0 EGADMP C[C@@H](c1cccnc1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371154685 457809267 /nfs/dbraw/zinc/80/92/67/457809267.db2.gz FJFLFHJWXLGULK-SFHVURJKSA-N 3 1 344.547 3.271 20 0 EGADMP C[C@@H](c1cccnc1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371154685 457809272 /nfs/dbraw/zinc/80/92/72/457809272.db2.gz FJFLFHJWXLGULK-SFHVURJKSA-N 3 1 344.547 3.271 20 0 EGADMP C[N@H+]1CC[C@]2(CCN(Cc3ccc(OCC(F)(F)F)c(F)c3)C2)C1 ZINC000366536719 457842452 /nfs/dbraw/zinc/84/24/52/457842452.db2.gz TVIUZIXURDJNGH-INIZCTEOSA-N 2 1 346.368 3.294 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCc1ccc(Cl)cc1 ZINC000371295906 457853477 /nfs/dbraw/zinc/85/34/77/457853477.db2.gz VSJMGWZJLMCXKG-QYZOEREBSA-N 2 1 336.907 3.456 20 0 EGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411337886 457859290 /nfs/dbraw/zinc/85/92/90/457859290.db2.gz WBCBDYDVMPARAD-OAQYLSRUSA-N 2 1 329.532 3.446 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411337886 457859300 /nfs/dbraw/zinc/85/93/00/457859300.db2.gz WBCBDYDVMPARAD-OAQYLSRUSA-N 3 1 329.532 3.446 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411337886 457859307 /nfs/dbraw/zinc/85/93/07/457859307.db2.gz WBCBDYDVMPARAD-OAQYLSRUSA-N 3 1 329.532 3.446 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411337886 457859310 /nfs/dbraw/zinc/85/93/10/457859310.db2.gz WBCBDYDVMPARAD-OAQYLSRUSA-N 3 1 329.532 3.446 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411337886 457859318 /nfs/dbraw/zinc/85/93/18/457859318.db2.gz WBCBDYDVMPARAD-OAQYLSRUSA-N 3 1 329.532 3.446 20 0 EGADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](CCCc2ccccc2)c2ccccc2)C1 ZINC000358263625 457897093 /nfs/dbraw/zinc/89/70/93/457897093.db2.gz XYGQRLIHXPONLA-FCHUYYIVSA-N 2 1 338.495 3.407 20 0 EGADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](CCCc2ccccc2)c2ccccc2)C1 ZINC000358263625 457897098 /nfs/dbraw/zinc/89/70/98/457897098.db2.gz XYGQRLIHXPONLA-FCHUYYIVSA-N 2 1 338.495 3.407 20 0 EGADMP OCC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ccco1 ZINC000411549065 457916973 /nfs/dbraw/zinc/91/69/73/457916973.db2.gz ZMJKGPGZWLMUGT-LJQANCHMSA-N 2 1 328.456 3.479 20 0 EGADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411566251 457920210 /nfs/dbraw/zinc/92/02/10/457920210.db2.gz WTPUVTYISCVYHB-KRWDZBQOSA-N 2 1 345.531 3.408 20 0 EGADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411566251 457920213 /nfs/dbraw/zinc/92/02/13/457920213.db2.gz WTPUVTYISCVYHB-KRWDZBQOSA-N 2 1 345.531 3.408 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)cs1 ZINC000427124034 457946447 /nfs/dbraw/zinc/94/64/47/457946447.db2.gz NDANBNDNVOZXAM-LPHOPBHVSA-N 2 1 343.496 3.214 20 0 EGADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)cs1 ZINC000427124034 457946453 /nfs/dbraw/zinc/94/64/53/457946453.db2.gz NDANBNDNVOZXAM-LPHOPBHVSA-N 2 1 343.496 3.214 20 0 EGADMP c1nc2ccccc2n1-c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427124383 457947058 /nfs/dbraw/zinc/94/70/58/457947058.db2.gz QYYNEKXCUBQTSF-MJGOQNOKSA-N 2 1 332.451 3.209 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000427194790 457957021 /nfs/dbraw/zinc/95/70/21/457957021.db2.gz XEKMJLLWOMOMAL-FQEVSTJZSA-N 2 1 343.515 3.275 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CO)CC(F)(F)F)cc1 ZINC000358368341 457959845 /nfs/dbraw/zinc/95/98/45/457959845.db2.gz NHDQUWGHAHDJEE-FZMZJTMJSA-N 2 1 327.350 3.145 20 0 EGADMP Fc1cc(Br)cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358494244 458037970 /nfs/dbraw/zinc/03/79/70/458037970.db2.gz DZNORCHHJLOQIX-UHFFFAOYSA-N 2 1 327.241 3.164 20 0 EGADMP O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@H]2C1 ZINC000412040675 458060450 /nfs/dbraw/zinc/06/04/50/458060450.db2.gz ISWSHXCTRMOODA-NJDAHSKKSA-N 2 1 328.500 3.265 20 0 EGADMP C[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1cccc(Cl)c1 ZINC000368935527 458066925 /nfs/dbraw/zinc/06/69/25/458066925.db2.gz ZXDZNMXILNETAV-HLIPFELVSA-N 2 1 349.950 3.401 20 0 EGADMP OC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000358577741 458087928 /nfs/dbraw/zinc/08/79/28/458087928.db2.gz UYAAOZGSXINMKW-FEKWIAJESA-N 2 1 328.500 3.180 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1OCC(F)(F)F ZINC000435369248 458120076 /nfs/dbraw/zinc/12/00/76/458120076.db2.gz DVCVRINQWIZLIX-JSGCOSHPSA-N 2 1 346.393 3.196 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000435377290 458125725 /nfs/dbraw/zinc/12/57/25/458125725.db2.gz ZWMNFSCFORBSOK-SUMWQHHRSA-N 2 1 346.906 3.371 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)cc2)cs1 ZINC000435376940 458127262 /nfs/dbraw/zinc/12/72/62/458127262.db2.gz WKZHRQOUOAJDBX-CJNGLKHVSA-N 2 1 331.485 3.200 20 0 EGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000435383684 458130520 /nfs/dbraw/zinc/13/05/20/458130520.db2.gz IHQCVFMUPPBVQN-LJQANCHMSA-N 2 1 346.478 3.379 20 0 EGADMP Cc1ccc(-n2cc(C[N@H+]3CC[C@@H](C[NH3+])C3)c(C(C)(C)C)n2)cc1 ZINC000435388842 458133896 /nfs/dbraw/zinc/13/38/96/458133896.db2.gz JDLMMIINPLLEMK-INIZCTEOSA-N 2 1 326.488 3.259 20 0 EGADMP CC[N@@H+](Cc1ccc(OC)c(OC(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435392160 458135393 /nfs/dbraw/zinc/13/53/93/458135393.db2.gz VMNWYDGPYGCBTD-CQSZACIVSA-N 2 1 328.403 3.261 20 0 EGADMP CC[N@H+]1C[C@H](C)N(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@H]1C ZINC000412229429 458135873 /nfs/dbraw/zinc/13/58/73/458135873.db2.gz JPVDSELUTPAJHY-MSOLQXFVSA-N 2 1 343.515 3.227 20 0 EGADMP CCn1ccnc1C[N@@H+](CCC1CCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435691214 458185192 /nfs/dbraw/zinc/18/51/92/458185192.db2.gz FOFJWAHHBZSXPG-SFHVURJKSA-N 2 1 330.520 3.427 20 0 EGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)CC[C@H]3CCCC[N@H+]3C)ccc21 ZINC000412378347 458186779 /nfs/dbraw/zinc/18/67/79/458186779.db2.gz LXSCXSYCRPETBH-MJGOQNOKSA-N 2 1 329.488 3.439 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000358747976 458189957 /nfs/dbraw/zinc/18/99/57/458189957.db2.gz IMTOCUFWDAUALV-LBPRGKRZSA-N 2 1 337.265 3.480 20 0 EGADMP Cc1ncsc1C[N@H+](CCCOc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000435735476 458192554 /nfs/dbraw/zinc/19/25/54/458192554.db2.gz NFIDLAVQSXVNFO-QGZVFWFLSA-N 2 1 345.512 3.332 20 0 EGADMP Cc1ncsc1C[N@@H+](CCCOc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000435735476 458192558 /nfs/dbraw/zinc/19/25/58/458192558.db2.gz NFIDLAVQSXVNFO-QGZVFWFLSA-N 2 1 345.512 3.332 20 0 EGADMP COc1ccc(CC[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000435732669 458192750 /nfs/dbraw/zinc/19/27/50/458192750.db2.gz QAOWFSSAFPMZOT-QGZVFWFLSA-N 2 1 345.512 3.114 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000362472379 458201464 /nfs/dbraw/zinc/20/14/64/458201464.db2.gz JTJXZLXJDSYVMY-MDZRGWNJSA-N 2 1 329.488 3.197 20 0 EGADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000362472379 458201469 /nfs/dbraw/zinc/20/14/69/458201469.db2.gz JTJXZLXJDSYVMY-MDZRGWNJSA-N 2 1 329.488 3.197 20 0 EGADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000362472379 458201474 /nfs/dbraw/zinc/20/14/74/458201474.db2.gz JTJXZLXJDSYVMY-MDZRGWNJSA-N 2 1 329.488 3.197 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C ZINC000429062316 458268247 /nfs/dbraw/zinc/26/82/47/458268247.db2.gz QBJGVNWHGMTCGC-YOEHRIQHSA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C ZINC000429062316 458268254 /nfs/dbraw/zinc/26/82/54/458268254.db2.gz QBJGVNWHGMTCGC-YOEHRIQHSA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C ZINC000429062316 458268260 /nfs/dbraw/zinc/26/82/60/458268260.db2.gz QBJGVNWHGMTCGC-YOEHRIQHSA-N 2 1 337.895 3.473 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+]Cc2c(Cl)cnn2C)C[N@H+]1Cc1ccccc1 ZINC000436406624 458301265 /nfs/dbraw/zinc/30/12/65/458301265.db2.gz IKJXGSCMFXIONK-WBVHZDCISA-N 2 1 346.906 3.464 20 0 EGADMP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc21 ZINC000447564499 458312806 /nfs/dbraw/zinc/31/28/06/458312806.db2.gz XGIHLAYSNBKYHE-UXPWSPDFSA-N 2 1 343.515 3.048 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCn2cc(Cl)cn2)cc1 ZINC000459390870 458356948 /nfs/dbraw/zinc/35/69/48/458356948.db2.gz TZQJBQIQIJMAMI-CYBMUJFWSA-N 2 1 329.835 3.381 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)CC1 ZINC000430111567 458402998 /nfs/dbraw/zinc/40/29/98/458402998.db2.gz SBLWWSAVNQPGQD-MOPGFXCFSA-N 2 1 349.469 3.306 20 0 EGADMP C[NH+](C)C1(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000437105817 458427280 /nfs/dbraw/zinc/42/72/80/458427280.db2.gz FGDNAVVRQAFSPP-NJDAHSKKSA-N 2 1 341.543 3.361 20 0 EGADMP CN(C)C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000437105817 458427286 /nfs/dbraw/zinc/42/72/86/458427286.db2.gz FGDNAVVRQAFSPP-NJDAHSKKSA-N 2 1 341.543 3.361 20 0 EGADMP CN(C)C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000437105817 458427292 /nfs/dbraw/zinc/42/72/92/458427292.db2.gz FGDNAVVRQAFSPP-NJDAHSKKSA-N 2 1 341.543 3.361 20 0 EGADMP COC(=O)[C@H](NCCCCn1cc[nH+]c1C)c1ccc(C)c(C)c1 ZINC000459617303 458429384 /nfs/dbraw/zinc/42/93/84/458429384.db2.gz DJVVGWWZDJTIKT-GOSISDBHSA-N 2 1 329.444 3.092 20 0 EGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC[C@@H]3CCC[N@@H+](C)C3)ccc21 ZINC000459627899 458430875 /nfs/dbraw/zinc/43/08/75/458430875.db2.gz YCDANVJGBDPCME-KXBFYZLASA-N 2 1 344.503 3.089 20 0 EGADMP COC[C@]1(C[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)CCC[NH2+]1 ZINC000423429147 458431297 /nfs/dbraw/zinc/43/12/97/458431297.db2.gz OWYLBPMNWVNXMW-PMUMKWKESA-N 2 1 333.501 3.147 20 0 EGADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423453359 458435806 /nfs/dbraw/zinc/43/58/06/458435806.db2.gz KNCIFAUKDWCSQH-CWJKEVGVSA-N 2 1 329.532 3.394 20 0 EGADMP CC[C@H]([NH3+])C[NH2+][C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000423461548 458436210 /nfs/dbraw/zinc/43/62/10/458436210.db2.gz JUFDUWBDWJMQKZ-FXAWDEMLSA-N 2 1 328.456 3.315 20 0 EGADMP c1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)CCC3)cc1 ZINC000423501804 458444710 /nfs/dbraw/zinc/44/47/10/458444710.db2.gz DUGZBCFMTYEXIG-HZPDHXFCSA-N 2 1 343.496 3.156 20 0 EGADMP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423517218 458448616 /nfs/dbraw/zinc/44/86/16/458448616.db2.gz BHEKGQQYRRVVAC-OAHLLOKOSA-N 2 1 327.241 3.307 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423531933 458453442 /nfs/dbraw/zinc/45/34/42/458453442.db2.gz QPBKXWCFOFXUPA-KVJIRVJXSA-N 2 1 335.495 3.167 20 0 EGADMP Cc1cncc([C@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000423541330 458454478 /nfs/dbraw/zinc/45/44/78/458454478.db2.gz AQURPIHWXZELGX-SFHVURJKSA-N 2 1 338.499 3.034 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCC3=CC[NH2+]CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423546577 458456067 /nfs/dbraw/zinc/45/60/67/458456067.db2.gz ZDEDSJDUCHIRKO-BDTNDASRSA-N 3 1 339.527 3.329 20 0 EGADMP c1ccc(CN2CC[C@@H]([NH2+]CCC3=CC[NH2+]CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423546577 458456070 /nfs/dbraw/zinc/45/60/70/458456070.db2.gz ZDEDSJDUCHIRKO-BDTNDASRSA-N 2 1 339.527 3.329 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(OCc2cccnc2)cc1 ZINC000430548835 458459501 /nfs/dbraw/zinc/45/95/01/458459501.db2.gz HWYYPBHBVDAKEL-FQEVSTJZSA-N 2 1 327.472 3.466 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430574367 458464130 /nfs/dbraw/zinc/46/41/30/458464130.db2.gz SFTKJKLBPQVXDW-ZMSDIMECSA-N 2 1 325.456 3.226 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430574367 458464135 /nfs/dbraw/zinc/46/41/35/458464135.db2.gz SFTKJKLBPQVXDW-ZMSDIMECSA-N 2 1 325.456 3.226 20 0 EGADMP c1ccc(-c2noc(CCC[NH+]3CCC([NH2+]CC4CC4)CC3)n2)cc1 ZINC000430576448 458464844 /nfs/dbraw/zinc/46/48/44/458464844.db2.gz MBKPHVUGVFBFCQ-UHFFFAOYSA-N 2 1 340.471 3.133 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000423725516 458476199 /nfs/dbraw/zinc/47/61/99/458476199.db2.gz IQJQIANIVUUJCS-IVGGMSORSA-N 2 1 347.547 3.004 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459782594 458478126 /nfs/dbraw/zinc/47/81/26/458478126.db2.gz MRJLQLZPLRUQNA-IRXDYDNUSA-N 2 1 334.504 3.265 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)c1 ZINC000377190203 458485499 /nfs/dbraw/zinc/48/54/99/458485499.db2.gz UYCCVYUBUAGWMT-UHFFFAOYSA-N 2 1 335.451 3.479 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000430763703 458489514 /nfs/dbraw/zinc/48/95/14/458489514.db2.gz QBGDDTVMPHQNTG-RTBURBONSA-N 2 1 337.552 3.255 20 0 EGADMP c1sc(COc2ccccc2)nc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430917349 458504744 /nfs/dbraw/zinc/50/47/44/458504744.db2.gz JSZUBCOZPPRJDO-UHFFFAOYSA-N 2 1 343.496 3.298 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)c(Cl)c1 ZINC000430922177 458505370 /nfs/dbraw/zinc/50/53/70/458505370.db2.gz XZVAYOVDRXKUFJ-KGLIPLIRSA-N 2 1 337.895 3.343 20 0 EGADMP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430949235 458508449 /nfs/dbraw/zinc/50/84/49/458508449.db2.gz NAPXPYNMEAWPNX-QWHCGFSZSA-N 2 1 348.878 3.434 20 0 EGADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H](C)[NH3+] ZINC000423906368 458510308 /nfs/dbraw/zinc/51/03/08/458510308.db2.gz QFQAVKAOQLCBFP-CUDHKJQZSA-N 2 1 345.531 3.023 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)C1CCCCCC1)c1ccccc1 ZINC000460385653 458514666 /nfs/dbraw/zinc/51/46/66/458514666.db2.gz GPTDRMRKWAAIHM-IBGZPJMESA-N 2 1 331.504 3.060 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424149258 458571810 /nfs/dbraw/zinc/57/18/10/458571810.db2.gz WCOUWJNSVLUUBX-PMACEKPBSA-N 2 1 349.563 3.255 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1 ZINC000424215121 458585858 /nfs/dbraw/zinc/58/58/58/458585858.db2.gz FBZYAFHLOPCYEA-ORYQWCPZSA-N 2 1 349.478 3.053 20 0 EGADMP CC1CC[NH+](CCCCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000438553598 458596843 /nfs/dbraw/zinc/59/68/43/458596843.db2.gz LPJGZZUJPCTTBG-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424306928 458611110 /nfs/dbraw/zinc/61/11/10/458611110.db2.gz WKQZMAFMQMPEAQ-SJLPKXTDSA-N 2 1 330.451 3.055 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C3(CCCCC3)C2)CC1 ZINC000462451887 458621206 /nfs/dbraw/zinc/62/12/06/458621206.db2.gz LKWWHYGRTNQFCC-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](Cn1cccn1)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000470261661 458625637 /nfs/dbraw/zinc/62/56/37/458625637.db2.gz UBBLVEWCVYNKRO-QWFCFKBJSA-N 2 1 326.488 3.162 20 0 EGADMP CCOc1c(OC)cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OC ZINC000424383725 458630641 /nfs/dbraw/zinc/63/06/41/458630641.db2.gz UJZGFFBQTBGZEX-OAHLLOKOSA-N 2 1 348.487 3.067 20 0 EGADMP COc1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc(Cl)c1OC ZINC000424387021 458631264 /nfs/dbraw/zinc/63/12/64/458631264.db2.gz XZCUKIRWTVHUEF-ZDUSSCGKSA-N 2 1 338.879 3.321 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000502242923 458641908 /nfs/dbraw/zinc/64/19/08/458641908.db2.gz UGUOTBQSEXWHHK-IRXDYDNUSA-N 2 1 334.504 3.265 20 0 EGADMP CCC[N@H+](CCn1cc[nH+]c1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502943979 458682602 /nfs/dbraw/zinc/68/26/02/458682602.db2.gz MHNFDWNZQDGRJZ-INIZCTEOSA-N 2 1 328.460 3.321 20 0 EGADMP CCC[N@@H+](CCn1cc[nH+]c1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502943979 458682609 /nfs/dbraw/zinc/68/26/09/458682609.db2.gz MHNFDWNZQDGRJZ-INIZCTEOSA-N 2 1 328.460 3.321 20 0 EGADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)cc2)CC1 ZINC000494508818 458690643 /nfs/dbraw/zinc/69/06/43/458690643.db2.gz BWCJLHJIKQTMSV-FQEVSTJZSA-N 2 1 341.499 3.484 20 0 EGADMP C[C@@H]1C[N@H+](C/C=C/c2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000530336491 458750685 /nfs/dbraw/zinc/75/06/85/458750685.db2.gz RSTCQIMSEMECOG-OQRUQETBSA-N 2 1 347.934 3.311 20 0 EGADMP C[C@@H]1C[N@@H+](C/C=C/c2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000530336491 458750688 /nfs/dbraw/zinc/75/06/88/458750688.db2.gz RSTCQIMSEMECOG-OQRUQETBSA-N 2 1 347.934 3.311 20 0 EGADMP CCCC[N@H+](C)CC1CCN(c2cc[nH+]cc2C(=O)OCC)CC1 ZINC000439969510 458771901 /nfs/dbraw/zinc/77/19/01/458771901.db2.gz UXJUCINRBZGCGU-UHFFFAOYSA-N 2 1 333.476 3.207 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2C(=O)OCC)CC1 ZINC000439969510 458771907 /nfs/dbraw/zinc/77/19/07/458771907.db2.gz UXJUCINRBZGCGU-UHFFFAOYSA-N 2 1 333.476 3.207 20 0 EGADMP C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000547736522 458782297 /nfs/dbraw/zinc/78/22/97/458782297.db2.gz PINPNHZKMRDDGU-UTKZUKDTSA-N 2 1 345.531 3.449 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440629890 458834705 /nfs/dbraw/zinc/83/47/05/458834705.db2.gz ZMBMGYCNHBOUMC-OCCSQVGLSA-N 2 1 332.414 3.419 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)c1 ZINC000440801469 458856242 /nfs/dbraw/zinc/85/62/42/458856242.db2.gz ANFUEPNMIQUSQS-UHFFFAOYSA-N 2 1 326.366 3.170 20 0 EGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000518890076 458897418 /nfs/dbraw/zinc/89/74/18/458897418.db2.gz YMMHOVNCPZKABY-IEBWSBKVSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000518890076 458897421 /nfs/dbraw/zinc/89/74/21/458897421.db2.gz YMMHOVNCPZKABY-IEBWSBKVSA-N 2 1 345.531 3.306 20 0 EGADMP C[N@@H+](CCCCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)C1CC1 ZINC000457205478 458898057 /nfs/dbraw/zinc/89/80/57/458898057.db2.gz RCBMMSGQRWKLJR-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000457205478 458898064 /nfs/dbraw/zinc/89/80/64/458898064.db2.gz RCBMMSGQRWKLJR-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000457205478 458898071 /nfs/dbraw/zinc/89/80/71/458898071.db2.gz RCBMMSGQRWKLJR-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@H](C)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000441335094 458921126 /nfs/dbraw/zinc/92/11/26/458921126.db2.gz XLSVIJXYAHXWQD-HKUYNNGSSA-N 2 1 331.504 3.437 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CCC(=O)Nc2ccccc2)c1 ZINC000519386107 458941883 /nfs/dbraw/zinc/94/18/83/458941883.db2.gz AUFPMTXWBJHIKQ-UHFFFAOYSA-N 2 1 325.456 3.257 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000576936942 458951521 /nfs/dbraw/zinc/95/15/21/458951521.db2.gz OKHVMLMIJLDRKA-NVXWUHKLSA-N 2 1 344.503 3.228 20 0 EGADMP CCOC(=O)[C@H](CC)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000441518289 458956162 /nfs/dbraw/zinc/95/61/62/458956162.db2.gz YEKXTUZLCSVFJJ-IBGZPJMESA-N 2 1 332.488 3.172 20 0 EGADMP CCc1cccc(Cl)c1C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000475706632 458959671 /nfs/dbraw/zinc/95/96/71/458959671.db2.gz ZFADOQNRSLDRHH-KRWDZBQOSA-N 2 1 335.923 3.114 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495817426 458964962 /nfs/dbraw/zinc/96/49/62/458964962.db2.gz FWGLMOKHXRREKC-ZACQAIPSSA-N 2 1 341.540 3.388 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCCn3ccnc3)C2)s1 ZINC000577026198 458965825 /nfs/dbraw/zinc/96/58/25/458965825.db2.gz SDWJLHOBFOCWKV-QGZVFWFLSA-N 2 1 332.517 3.097 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCCn3ccnc3)C2)s1 ZINC000577026198 458965835 /nfs/dbraw/zinc/96/58/35/458965835.db2.gz SDWJLHOBFOCWKV-QGZVFWFLSA-N 2 1 332.517 3.097 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCCn3ccnc3)C2)s1 ZINC000577026198 458965839 /nfs/dbraw/zinc/96/58/39/458965839.db2.gz SDWJLHOBFOCWKV-QGZVFWFLSA-N 2 1 332.517 3.097 20 0 EGADMP COC1(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCCC1 ZINC000566650516 458974785 /nfs/dbraw/zinc/97/47/85/458974785.db2.gz UIDQKZOCLSTASP-WOJBJXKFSA-N 2 1 328.500 3.400 20 0 EGADMP CCN(C)c1ccc(CN[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000567279193 459078450 /nfs/dbraw/zinc/07/84/50/459078450.db2.gz ZEUHQWQRBOPXPP-OAQYLSRUSA-N 2 1 338.499 3.292 20 0 EGADMP CCN(C)c1ccc(CN[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000567279193 459078453 /nfs/dbraw/zinc/07/84/53/459078453.db2.gz ZEUHQWQRBOPXPP-OAQYLSRUSA-N 2 1 338.499 3.292 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060130 459080451 /nfs/dbraw/zinc/08/04/51/459080451.db2.gz OFDWWZQEWWPBPO-QWHCGFSZSA-N 2 1 343.393 3.093 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000443060878 459080636 /nfs/dbraw/zinc/08/06/36/459080636.db2.gz PXZGVPDLBMEEPU-KRWDZBQOSA-N 2 1 337.467 3.500 20 0 EGADMP CC(C)[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC000532449809 459090410 /nfs/dbraw/zinc/09/04/10/459090410.db2.gz KXFIBBWDEUOROX-NHCUHLMSSA-N 2 1 329.532 3.389 20 0 EGADMP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C(C)C ZINC000594583424 459097424 /nfs/dbraw/zinc/09/74/24/459097424.db2.gz LXVUKDXSOZBXEM-GBESFXJTSA-N 2 1 332.488 3.436 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000577955204 459123785 /nfs/dbraw/zinc/12/37/85/459123785.db2.gz HDGGUHDASFKCEO-XLIONFOSSA-N 2 1 343.515 3.067 20 0 EGADMP Cc1ccccc1OC[C@H](O)C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000567581532 459128013 /nfs/dbraw/zinc/12/80/13/459128013.db2.gz GBZGTGWVJUMLFC-WSTZPKSXSA-N 2 1 348.531 3.082 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000496272583 459131100 /nfs/dbraw/zinc/13/11/00/459131100.db2.gz HOOWNCLQIOHQJH-VVLHAWIVSA-N 2 1 341.540 3.388 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOc1ccc2cc(Br)ccc2c1 ZINC000567645884 459138801 /nfs/dbraw/zinc/13/88/01/459138801.db2.gz HZUMFWNGSJOZHU-IAGOWNOFSA-N 2 1 349.272 3.451 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cn2)C1 ZINC000567662648 459140891 /nfs/dbraw/zinc/14/08/91/459140891.db2.gz IMIGKNUFMGDZGR-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cn2)C1 ZINC000567662648 459140894 /nfs/dbraw/zinc/14/08/94/459140894.db2.gz IMIGKNUFMGDZGR-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCc4ccccc4OC3)C2)cc1 ZINC000479464038 459141871 /nfs/dbraw/zinc/14/18/71/459141871.db2.gz KPPVFSAFSYPTAC-FPOVZHCZSA-N 2 1 336.479 3.492 20 0 EGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000567870700 459182213 /nfs/dbraw/zinc/18/22/13/459182213.db2.gz JMMRAYFRSUMRCO-QWRGUYRKSA-N 2 1 337.265 3.055 20 0 EGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496463532 459202405 /nfs/dbraw/zinc/20/24/05/459202405.db2.gz XPHAKNHTCPLAPY-HNNXBMFYSA-N 2 1 327.513 3.096 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496463532 459202407 /nfs/dbraw/zinc/20/24/07/459202407.db2.gz XPHAKNHTCPLAPY-HNNXBMFYSA-N 2 1 327.513 3.096 20 0 EGADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000578545709 459218737 /nfs/dbraw/zinc/21/87/37/459218737.db2.gz ZPJHGUAATDTWQU-HXUWFJFHSA-N 3 1 338.499 3.396 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000496625363 459264663 /nfs/dbraw/zinc/26/46/63/459264663.db2.gz SZOWAMZPBKAAJZ-ZACQAIPSSA-N 2 1 339.524 3.144 20 0 EGADMP C[C@H]1C[C@H](CC[NH2+]Cc2c[nH]c3nccnc23)C[N@H+]1Cc1ccccc1 ZINC000568337492 459269459 /nfs/dbraw/zinc/26/94/59/459269459.db2.gz MNRSXOJRZAVGFF-WMZOPIPTSA-N 2 1 349.482 3.300 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C(C)(C)C)c3)C2)CC1 ZINC000595315123 459276182 /nfs/dbraw/zinc/27/61/82/459276182.db2.gz XONUVWRWZSZEPL-HXUWFJFHSA-N 2 1 329.532 3.196 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C)cc1 ZINC000482153340 459293188 /nfs/dbraw/zinc/29/31/88/459293188.db2.gz AVFQMYBLRBIUMG-MJGOQNOKSA-N 2 1 331.504 3.424 20 0 EGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000582203680 459325788 /nfs/dbraw/zinc/32/57/88/459325788.db2.gz OUONPXNZRLZGOV-DJJJIMSYSA-N 2 1 338.386 3.327 20 0 EGADMP CC[C@H](C)C[N@@H+](CC)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000482856368 459327214 /nfs/dbraw/zinc/32/72/14/459327214.db2.gz KCDBOTWWIVWFHQ-SFHVURJKSA-N 2 1 345.531 3.267 20 0 EGADMP CCC(C)(C)[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000560343693 459327857 /nfs/dbraw/zinc/32/78/57/459327857.db2.gz UGROGMONNMZITC-QFBILLFUSA-N 2 1 345.531 3.298 20 0 EGADMP C[NH+](C)CC[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC000483174781 459348853 /nfs/dbraw/zinc/34/88/53/459348853.db2.gz KROHNJBYQKSVFP-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP OCCCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000560538681 459368809 /nfs/dbraw/zinc/36/88/09/459368809.db2.gz YVOKLXJAYDXINV-NJDAHSKKSA-N 2 1 330.516 3.429 20 0 EGADMP Cn1ccnc1[C@@H]1CCN(Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000540918158 459402278 /nfs/dbraw/zinc/40/22/78/459402278.db2.gz CFUSSYQVPIKIBS-GFCCVEGCSA-N 2 1 343.818 3.113 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C)c(OC)c2)[C@@H](C)C1 ZINC000484142923 459407560 /nfs/dbraw/zinc/40/75/60/459407560.db2.gz JIDWTSPNAIECNM-AZUAARDMSA-N 2 1 348.531 3.273 20 0 EGADMP C[NH+]1CCN(CCCC[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000540940546 459408084 /nfs/dbraw/zinc/40/80/84/459408084.db2.gz GHKBKVXWTWPDHX-UHFFFAOYSA-N 2 1 343.471 3.189 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CC3CCCCC3)CC2)CC1 ZINC000561109553 459421091 /nfs/dbraw/zinc/42/10/91/459421091.db2.gz YARCMSNLPGUMTK-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)C1 ZINC000541574316 459467828 /nfs/dbraw/zinc/46/78/28/459467828.db2.gz JKWNONGJULTLLJ-HZPDHXFCSA-N 2 1 325.541 3.170 20 0 EGADMP COc1ccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)c(F)c1 ZINC000569580261 459475120 /nfs/dbraw/zinc/47/51/20/459475120.db2.gz BRHJQHLRCZQXBQ-UHFFFAOYSA-N 2 1 332.419 3.065 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCC(C)(C)C)CC2)CC1 ZINC000569707384 459497859 /nfs/dbraw/zinc/49/78/59/459497859.db2.gz XMMSZMVAPNDOTG-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000526119109 459551245 /nfs/dbraw/zinc/55/12/45/459551245.db2.gz BPAXZDMJUJBJFB-UWJYYQICSA-N 2 1 342.458 3.156 20 0 EGADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000526119109 459551254 /nfs/dbraw/zinc/55/12/54/459551254.db2.gz BPAXZDMJUJBJFB-UWJYYQICSA-N 2 1 342.458 3.156 20 0 EGADMP CCC[C@@H]1CCCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000583574274 459561872 /nfs/dbraw/zinc/56/18/72/459561872.db2.gz SXXWMKIWFXUTIW-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H]1C[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000592489084 459612045 /nfs/dbraw/zinc/61/20/45/459612045.db2.gz PMIIUCZZCZUILS-SWLSCSKDSA-N 2 1 332.366 3.023 20 0 EGADMP Cc1cccc(CN2CCN(C[C@H]3CCCC[N@@H+]3C(C)C)CC2)c1 ZINC000573113125 459628111 /nfs/dbraw/zinc/62/81/11/459628111.db2.gz XNAQMOZOBQDNIJ-OAQYLSRUSA-N 2 1 329.532 3.376 20 0 EGADMP Cc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C(C)C)CC2)c1 ZINC000573113125 459628118 /nfs/dbraw/zinc/62/81/18/459628118.db2.gz XNAQMOZOBQDNIJ-OAQYLSRUSA-N 2 1 329.532 3.376 20 0 EGADMP Cc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C(C)C)CC2)c1 ZINC000573113125 459628121 /nfs/dbraw/zinc/62/81/21/459628121.db2.gz XNAQMOZOBQDNIJ-OAQYLSRUSA-N 2 1 329.532 3.376 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000527521986 459654875 /nfs/dbraw/zinc/65/48/75/459654875.db2.gz SXMCZBPOUJMDDW-AEFFLSMTSA-N 2 1 332.488 3.076 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000543416821 459656148 /nfs/dbraw/zinc/65/61/48/459656148.db2.gz SPBVGGUNICPNJM-TUFLPTIASA-N 2 1 328.500 3.303 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000500106889 459664693 /nfs/dbraw/zinc/66/46/93/459664693.db2.gz QHPSNVRBZHVKKU-IHPCNDPISA-N 2 1 345.531 3.180 20 0 EGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000584222391 459684210 /nfs/dbraw/zinc/68/42/10/459684210.db2.gz BJAYJFRYLXFSBH-QUCCMNQESA-N 2 1 343.515 3.012 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)[C@H](C)C1 ZINC000527661517 459689960 /nfs/dbraw/zinc/68/99/60/459689960.db2.gz MNIQKTLJVANUAD-APWZRJJASA-N 2 1 329.488 3.395 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000543773879 459698959 /nfs/dbraw/zinc/69/89/59/459698959.db2.gz OLEUBJLZFVWEEF-VQIMIIECSA-N 2 1 340.458 3.344 20 0 EGADMP C[C@@H](Cc1ccsc1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000544009982 459719704 /nfs/dbraw/zinc/71/97/04/459719704.db2.gz QXJWNYNWPYKBIF-KSZLIROESA-N 2 1 335.561 3.170 20 0 EGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000563135921 459723436 /nfs/dbraw/zinc/72/34/36/459723436.db2.gz PHHNITKCMGMGIB-WDEREUQCSA-N 2 1 337.265 3.055 20 0 EGADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000574071358 459775985 /nfs/dbraw/zinc/77/59/85/459775985.db2.gz FICZVVKMTVGZHC-VQTJNVASSA-N 2 1 348.531 3.287 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCc1cc(F)c(Br)cc1F ZINC000527977191 459786751 /nfs/dbraw/zinc/78/67/51/459786751.db2.gz CONRRHBFEBOHQY-LKFCYVNXSA-N 2 1 333.220 3.157 20 0 EGADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(C)c(C(=O)OC)o2)c1 ZINC000597055112 459827070 /nfs/dbraw/zinc/82/70/70/459827070.db2.gz AQIWTPSBLFZNGO-UHFFFAOYSA-N 2 1 330.428 3.116 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(C)c(C(=O)OC)o2)c1 ZINC000597055112 459827075 /nfs/dbraw/zinc/82/70/75/459827075.db2.gz AQIWTPSBLFZNGO-UHFFFAOYSA-N 2 1 330.428 3.116 20 0 EGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000566416568 459862591 /nfs/dbraw/zinc/86/25/91/459862591.db2.gz NBPYLSSXNUPNHP-AWEZNQCLSA-N 2 1 326.444 3.052 20 0 EGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000545868467 459863503 /nfs/dbraw/zinc/86/35/03/459863503.db2.gz NJZBGPHXVPCQLS-COXVUDFISA-N 2 1 343.298 3.286 20 0 EGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000545868467 459863508 /nfs/dbraw/zinc/86/35/08/459863508.db2.gz NJZBGPHXVPCQLS-COXVUDFISA-N 2 1 343.298 3.286 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cncc(Br)c1 ZINC000575002973 459907092 /nfs/dbraw/zinc/90/70/92/459907092.db2.gz ABTIKDIJZARCDZ-GFCCVEGCSA-N 2 1 326.282 3.369 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(COC)CCCCC2)[C@H](C)C1 ZINC000575624328 459989825 /nfs/dbraw/zinc/98/98/25/459989825.db2.gz AJXNAURQEXJLBT-MOPGFXCFSA-N 2 1 340.552 3.310 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1C ZINC000598970807 460110019 /nfs/dbraw/zinc/11/00/19/460110019.db2.gz OUZKVTGPOHPUOM-QGZVFWFLSA-N 2 1 349.519 3.266 20 0 EGADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000618665361 460117691 /nfs/dbraw/zinc/11/76/91/460117691.db2.gz ZVRIWWSEBWKPLB-ROUUACIJSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618665361 460117700 /nfs/dbraw/zinc/11/77/00/460117700.db2.gz ZVRIWWSEBWKPLB-ROUUACIJSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618665361 460117707 /nfs/dbraw/zinc/11/77/07/460117707.db2.gz ZVRIWWSEBWKPLB-ROUUACIJSA-N 2 1 347.547 3.164 20 0 EGADMP CC[C@@H]1CC[C@@H](C)N(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000619134757 460278767 /nfs/dbraw/zinc/27/87/67/460278767.db2.gz AWYPXQFLWCGJKL-QZTJIDSGSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)NCCC(C)C ZINC000626062066 460358450 /nfs/dbraw/zinc/35/84/50/460358450.db2.gz FFAGRJIPABMTBO-KRWDZBQOSA-N 2 1 333.520 3.121 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626102068 460371094 /nfs/dbraw/zinc/37/10/94/460371094.db2.gz SDXWEESICPLGFZ-INIZCTEOSA-N 2 1 342.270 3.373 20 0 EGADMP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCc1c[nH+]cn1C ZINC000623086049 460406085 /nfs/dbraw/zinc/40/60/85/460406085.db2.gz UTGXDOROAOHPHO-UHFFFAOYSA-N 2 1 327.259 3.125 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000631575452 460451771 /nfs/dbraw/zinc/45/17/71/460451771.db2.gz FPCYJYMOFPRIQJ-TUFLPTIASA-N 2 1 340.511 3.446 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H]3CCOC(C)(C)C3)cc2)C[C@H](C)O1 ZINC000634677867 460472039 /nfs/dbraw/zinc/47/20/39/460472039.db2.gz AUWDVAMCUMFOOA-QKLQHJQFSA-N 2 1 346.515 3.343 20 0 EGADMP C[N@H+]1CCCC[C@H](CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000628751915 460527896 /nfs/dbraw/zinc/52/78/96/460527896.db2.gz VKFWMVLFFLHOES-LJQANCHMSA-N 2 1 343.515 3.134 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@H](O)C(F)(F)F)cc1 ZINC000631719414 460530756 /nfs/dbraw/zinc/53/07/56/460530756.db2.gz MVYMROYKTQHZOT-PGUXBMHVSA-N 2 1 327.350 3.143 20 0 EGADMP COC(=O)C1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000601289908 460778410 /nfs/dbraw/zinc/77/84/10/460778410.db2.gz WECBDYZLVPMPKG-IHJVYAAUSA-N 2 1 344.499 3.076 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCCOCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629561845 460808478 /nfs/dbraw/zinc/80/84/78/460808478.db2.gz JVHZTHPZRZENBI-CVEARBPZSA-N 2 1 330.394 3.052 20 0 EGADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560558 460809538 /nfs/dbraw/zinc/80/95/38/460809538.db2.gz DSKHYZZFPLCLDS-LSDHHAIUSA-N 2 1 330.394 3.141 20 0 EGADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560558 460809542 /nfs/dbraw/zinc/80/95/42/460809542.db2.gz DSKHYZZFPLCLDS-LSDHHAIUSA-N 2 1 330.394 3.141 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000617344877 460818933 /nfs/dbraw/zinc/81/89/33/460818933.db2.gz RELOJYKWVXPEGF-GOSISDBHSA-N 2 1 331.504 3.131 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000635638122 460865828 /nfs/dbraw/zinc/86/58/28/460865828.db2.gz KWGWDEZSCRDSCH-KRWDZBQOSA-N 2 1 342.487 3.033 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000635638122 460865833 /nfs/dbraw/zinc/86/58/33/460865833.db2.gz KWGWDEZSCRDSCH-KRWDZBQOSA-N 2 1 342.487 3.033 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000624121689 460871186 /nfs/dbraw/zinc/87/11/86/460871186.db2.gz BBIOELVFPVPLRA-DZGCQCFKSA-N 2 1 325.522 3.023 20 0 EGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3CC[N@H+]3C3CCCC3)ccc21 ZINC000635996902 461003165 /nfs/dbraw/zinc/00/31/65/461003165.db2.gz LBYRXPLSHYFSNQ-MOPGFXCFSA-N 2 1 327.472 3.191 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)c(F)c2N(C)C)C[C@@H]1C ZINC000628183143 461035588 /nfs/dbraw/zinc/03/55/88/461035588.db2.gz RVWVCTPRTXVWNY-DZGCQCFKSA-N 2 1 325.447 3.335 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000659018015 461140942 /nfs/dbraw/zinc/14/09/42/461140942.db2.gz BUFYFKMZVSYMBO-MRXNPFEDSA-N 2 1 332.492 3.038 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)C1 ZINC000652348770 461141743 /nfs/dbraw/zinc/14/17/43/461141743.db2.gz QVMSIGAAGRQFRG-KSZLIROESA-N 2 1 341.455 3.060 20 0 EGADMP Cc1ccc(C)c(OCCC[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652346892 461142581 /nfs/dbraw/zinc/14/25/81/461142581.db2.gz LAVSAXHOOQDVSD-ZVDOUQERSA-N 2 1 346.515 3.291 20 0 EGADMP CCO[C@@H](C)c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000662291544 461170175 /nfs/dbraw/zinc/17/01/75/461170175.db2.gz HYYKZLTUSCIQJL-GOEBONIOSA-N 2 1 337.533 3.452 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)c1 ZINC000662295200 461173866 /nfs/dbraw/zinc/17/38/66/461173866.db2.gz FWWJWQKWQGWKAA-IEBWSBKVSA-N 2 1 343.515 3.342 20 0 EGADMP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295171 461173896 /nfs/dbraw/zinc/17/38/96/461173896.db2.gz FSASCAQAFYVBON-AEFFLSMTSA-N 2 1 329.488 3.034 20 0 EGADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312423 461184758 /nfs/dbraw/zinc/18/47/58/461184758.db2.gz CDTWRFVGEGWAQX-ZHALLVOQSA-N 2 1 331.504 3.045 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCc2cncc(C)n2)CC1)CC(C)C ZINC000649573998 461188211 /nfs/dbraw/zinc/18/82/11/461188211.db2.gz XOCVBPRLOLPGGV-UHFFFAOYSA-N 2 1 332.536 3.408 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662455253 461248607 /nfs/dbraw/zinc/24/86/07/461248607.db2.gz WGOIEJWVJJAYKR-AWEZNQCLSA-N 2 1 349.544 3.024 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000655444039 461254162 /nfs/dbraw/zinc/25/41/62/461254162.db2.gz IBEAXKDKCYPXBK-PBEJRMEISA-N 2 1 341.499 3.389 20 0 EGADMP COc1cc(F)cc(OC)c1C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000638173382 461285309 /nfs/dbraw/zinc/28/53/09/461285309.db2.gz WRPYGITZRDPIOL-BBRMVZONSA-N 2 1 333.407 3.123 20 0 EGADMP COc1cc(F)cc(OC)c1C[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000638173382 461285318 /nfs/dbraw/zinc/28/53/18/461285318.db2.gz WRPYGITZRDPIOL-BBRMVZONSA-N 2 1 333.407 3.123 20 0 EGADMP COc1cc(F)cc(OC)c1C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000638173383 461286897 /nfs/dbraw/zinc/28/68/97/461286897.db2.gz WRPYGITZRDPIOL-CJNGLKHVSA-N 2 1 333.407 3.123 20 0 EGADMP COc1cc(F)cc(OC)c1C[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000638173383 461286907 /nfs/dbraw/zinc/28/69/07/461286907.db2.gz WRPYGITZRDPIOL-CJNGLKHVSA-N 2 1 333.407 3.123 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1)C(C)C ZINC000646481543 461289772 /nfs/dbraw/zinc/28/97/72/461289772.db2.gz OOOTXJOUJKDYGN-LPHOPBHVSA-N 2 1 331.504 3.082 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2[NH2+]CCC2(C)C)cc1 ZINC000662675329 461343280 /nfs/dbraw/zinc/34/32/80/461343280.db2.gz LKKYVPPKSCSELG-LPHOPBHVSA-N 2 1 343.515 3.065 20 0 EGADMP C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000649782712 461348849 /nfs/dbraw/zinc/34/88/49/461348849.db2.gz QIYMIAMFBYFUBY-KBAYOESNSA-N 2 1 346.519 3.322 20 0 EGADMP NC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638296652 461352678 /nfs/dbraw/zinc/35/26/78/461352678.db2.gz AYSRXCGMOPBWCA-CTNGQTDRSA-N 2 1 349.478 3.243 20 0 EGADMP NC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638296652 461352687 /nfs/dbraw/zinc/35/26/87/461352687.db2.gz AYSRXCGMOPBWCA-CTNGQTDRSA-N 2 1 349.478 3.243 20 0 EGADMP CO[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@H]1CCOC1 ZINC000638367146 461391110 /nfs/dbraw/zinc/39/11/10/461391110.db2.gz MKXLZMLWYCXJMH-JRGCBEDISA-N 2 1 346.515 3.202 20 0 EGADMP CSc1cc(C)ccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655722569 461391377 /nfs/dbraw/zinc/39/13/77/461391377.db2.gz FHVBHJMLZCEOQJ-SFHVURJKSA-N 2 1 334.529 3.450 20 0 EGADMP CC[N@H+]1CC[C@H](CN[C@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382201 461398767 /nfs/dbraw/zinc/39/87/67/461398767.db2.gz TWJDDKWPUBUWSB-LMNJBCLMSA-N 2 1 327.516 3.286 20 0 EGADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382201 461398778 /nfs/dbraw/zinc/39/87/78/461398778.db2.gz TWJDDKWPUBUWSB-LMNJBCLMSA-N 2 1 327.516 3.286 20 0 EGADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382201 461398790 /nfs/dbraw/zinc/39/87/90/461398790.db2.gz TWJDDKWPUBUWSB-LMNJBCLMSA-N 2 1 327.516 3.286 20 0 EGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382201 461398798 /nfs/dbraw/zinc/39/87/98/461398798.db2.gz TWJDDKWPUBUWSB-LMNJBCLMSA-N 2 1 327.516 3.286 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382201 461398806 /nfs/dbraw/zinc/39/88/06/461398806.db2.gz TWJDDKWPUBUWSB-LMNJBCLMSA-N 2 1 327.516 3.286 20 0 EGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000655730260 461399025 /nfs/dbraw/zinc/39/90/25/461399025.db2.gz NWCNVCUWEYWZAW-MRXNPFEDSA-N 2 1 337.471 3.420 20 0 EGADMP CC(C)[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Cc1ccccc1 ZINC000655757105 461422099 /nfs/dbraw/zinc/42/20/99/461422099.db2.gz BOPZIRQOJQRABH-CTNGQTDRSA-N 2 1 330.516 3.344 20 0 EGADMP [NH3+][C@@H](CCC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)CC1CCCCC1 ZINC000663005548 461424967 /nfs/dbraw/zinc/42/49/67/461424967.db2.gz WFDGGYZQSJZGHE-PMACEKPBSA-N 2 1 349.563 3.303 20 0 EGADMP OCc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000638447713 461433556 /nfs/dbraw/zinc/43/35/56/461433556.db2.gz NVXVDZXHHXFXNV-GOSISDBHSA-N 2 1 330.497 3.242 20 0 EGADMP OCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000638447713 461433563 /nfs/dbraw/zinc/43/35/63/461433563.db2.gz NVXVDZXHHXFXNV-GOSISDBHSA-N 2 1 330.497 3.242 20 0 EGADMP Cc1nnsc1C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000638567732 461490224 /nfs/dbraw/zinc/49/02/24/461490224.db2.gz QTBNGDYTCLFFQF-UHFFFAOYSA-N 2 1 330.501 3.368 20 0 EGADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3c4ccccc4C[C@@H]3O)CC2)C1 ZINC000655840500 461491280 /nfs/dbraw/zinc/49/12/80/461491280.db2.gz XZPJFHRLSHYLNA-HGWQEYRNSA-N 2 1 328.500 3.277 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653108573 461504380 /nfs/dbraw/zinc/50/43/80/461504380.db2.gz AEAYUAKWXHEMCN-QZTJIDSGSA-N 2 1 343.515 3.067 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000647168048 461538383 /nfs/dbraw/zinc/53/83/83/461538383.db2.gz DKZSUUONWMJPIP-HNNXBMFYSA-N 2 1 330.476 3.343 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000647168048 461538389 /nfs/dbraw/zinc/53/83/89/461538389.db2.gz DKZSUUONWMJPIP-HNNXBMFYSA-N 2 1 330.476 3.343 20 0 EGADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000638723133 461548697 /nfs/dbraw/zinc/54/86/97/461548697.db2.gz YORIZLPHPMITNE-IZBJGVDFSA-N 2 1 343.515 3.076 20 0 EGADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000638723133 461548704 /nfs/dbraw/zinc/54/87/04/461548704.db2.gz YORIZLPHPMITNE-IZBJGVDFSA-N 2 1 343.515 3.076 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nn1C ZINC000666356119 461587430 /nfs/dbraw/zinc/58/74/30/461587430.db2.gz MYEJBMRNZRSVJK-CEWLAPEOSA-N 2 1 338.499 3.119 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nn1C ZINC000666356119 461587435 /nfs/dbraw/zinc/58/74/35/461587435.db2.gz MYEJBMRNZRSVJK-CEWLAPEOSA-N 2 1 338.499 3.119 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC[C@H]1CCc2ccccc21 ZINC000660115557 461588194 /nfs/dbraw/zinc/58/81/94/461588194.db2.gz BIBNDFCXSGHXFZ-VURPSTOHSA-N 2 1 328.500 3.290 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@H]1Sc2ccccc2NC1=O ZINC000660117117 461590226 /nfs/dbraw/zinc/59/02/26/461590226.db2.gz MEEDVQJMONXJGM-QGZVFWFLSA-N 2 1 344.484 3.017 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@H]1Sc2ccccc2NC1=O ZINC000660117117 461590229 /nfs/dbraw/zinc/59/02/29/461590229.db2.gz MEEDVQJMONXJGM-QGZVFWFLSA-N 2 1 344.484 3.017 20 0 EGADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638873984 461634474 /nfs/dbraw/zinc/63/44/74/461634474.db2.gz OJZUWINAEFDBHG-YFVAEKQCSA-N 2 1 327.516 3.286 20 0 EGADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638873984 461634481 /nfs/dbraw/zinc/63/44/81/461634481.db2.gz OJZUWINAEFDBHG-YFVAEKQCSA-N 2 1 327.516 3.286 20 0 EGADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638873984 461634488 /nfs/dbraw/zinc/63/44/88/461634488.db2.gz OJZUWINAEFDBHG-YFVAEKQCSA-N 2 1 327.516 3.286 20 0 EGADMP Cc1cc(CO)cc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663449059 461645066 /nfs/dbraw/zinc/64/50/66/461645066.db2.gz AMXFBLLDYSSNQD-GOSISDBHSA-N 2 1 325.456 3.206 20 0 EGADMP Cc1cc(CO)cc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663449059 461645076 /nfs/dbraw/zinc/64/50/76/461645076.db2.gz AMXFBLLDYSSNQD-GOSISDBHSA-N 2 1 325.456 3.206 20 0 EGADMP c1coc([C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000643250472 461650769 /nfs/dbraw/zinc/65/07/69/461650769.db2.gz RUPXJAVTSGZHGD-IBGZPJMESA-N 2 1 326.440 3.101 20 0 EGADMP c1coc([C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000643250472 461650773 /nfs/dbraw/zinc/65/07/73/461650773.db2.gz RUPXJAVTSGZHGD-IBGZPJMESA-N 2 1 326.440 3.101 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663466957 461655177 /nfs/dbraw/zinc/65/51/77/461655177.db2.gz CBZODALILONSBD-WBVHZDCISA-N 2 1 332.488 3.476 20 0 EGADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467965 461656655 /nfs/dbraw/zinc/65/66/55/461656655.db2.gz IZPZBRHBMKZKLJ-IEBWSBKVSA-N 2 1 343.515 3.140 20 0 EGADMP Cn1c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc2ccccc21 ZINC000638977157 461666008 /nfs/dbraw/zinc/66/60/08/461666008.db2.gz OEZPPCRGUBGBBQ-NRFANRHFSA-N 2 1 349.478 3.035 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000653525619 461701228 /nfs/dbraw/zinc/70/12/28/461701228.db2.gz AERKTKXVOQRUBM-AZUAARDMSA-N 2 1 327.472 3.452 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000653525619 461701232 /nfs/dbraw/zinc/70/12/32/461701232.db2.gz AERKTKXVOQRUBM-AZUAARDMSA-N 2 1 327.472 3.452 20 0 EGADMP CCOc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc(Cl)c1OC ZINC000647482834 461729697 /nfs/dbraw/zinc/72/96/97/461729697.db2.gz BXFUHPRETUBZHH-UHFFFAOYSA-N 2 1 338.879 3.464 20 0 EGADMP CCOc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc(Cl)c1OC ZINC000647482834 461729701 /nfs/dbraw/zinc/72/97/01/461729701.db2.gz BXFUHPRETUBZHH-UHFFFAOYSA-N 2 1 338.879 3.464 20 0 EGADMP CC[C@H]1C[N@H+](Cc2cn(-c3ccc(Cl)cc3)nc2C)CC[C@H]1[NH3+] ZINC000647498103 461737349 /nfs/dbraw/zinc/73/73/49/461737349.db2.gz AFIHXRWBDSMVSR-KBXCAEBGSA-N 2 1 332.879 3.393 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2cn(-c3ccc(Cl)cc3)nc2C)CC[C@H]1[NH3+] ZINC000647498103 461737354 /nfs/dbraw/zinc/73/73/54/461737354.db2.gz AFIHXRWBDSMVSR-KBXCAEBGSA-N 2 1 332.879 3.393 20 0 EGADMP CC[C@H](C)Oc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000647511767 461743207 /nfs/dbraw/zinc/74/32/07/461743207.db2.gz AYIUHBISYGHLNR-DZJNRPSUSA-N 2 1 332.488 3.432 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3CCCC[NH2+]3)[C@H]3CCC[C@H]32)cc1 ZINC000643502709 461749359 /nfs/dbraw/zinc/74/93/59/461749359.db2.gz OPIMZHDWYDVNOL-JSXRDJHFSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3CCCC[NH2+]3)[C@@H]3CCC[C@@H]32)cc1 ZINC000643502710 461749396 /nfs/dbraw/zinc/74/93/96/461749396.db2.gz OPIMZHDWYDVNOL-TUFLPTIASA-N 2 1 327.516 3.161 20 0 EGADMP C[C@H]([NH3+])C[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000643528520 461753977 /nfs/dbraw/zinc/75/39/77/461753977.db2.gz KMQYUKFBZGWCBM-RYUDHWBXSA-N 2 1 337.261 3.306 20 0 EGADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(-c2cccs2)n1 ZINC000647543504 461757199 /nfs/dbraw/zinc/75/71/99/461757199.db2.gz OKRCDKNFSWSMOG-JKSUJKDBSA-N 2 1 344.528 3.360 20 0 EGADMP c1cc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543682 461758439 /nfs/dbraw/zinc/75/84/39/461758439.db2.gz RCSMOGAHYKIAFH-GJZGRUSLSA-N 2 1 330.501 3.350 20 0 EGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543814 461759622 /nfs/dbraw/zinc/75/96/22/461759622.db2.gz SJUGMXZJWAVHKP-QZTJIDSGSA-N 2 1 332.488 3.306 20 0 EGADMP C[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643549065 461761320 /nfs/dbraw/zinc/76/13/20/461761320.db2.gz ZSLWGAUDZXKPDQ-SXLOBPIMSA-N 2 1 327.516 3.161 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643549065 461761327 /nfs/dbraw/zinc/76/13/27/461761327.db2.gz ZSLWGAUDZXKPDQ-SXLOBPIMSA-N 3 1 327.516 3.161 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643549065 461761332 /nfs/dbraw/zinc/76/13/32/461761332.db2.gz ZSLWGAUDZXKPDQ-SXLOBPIMSA-N 3 1 327.516 3.161 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccncc3Br)C2)CC1 ZINC000639175978 461782585 /nfs/dbraw/zinc/78/25/85/461782585.db2.gz BYIZILGCZZPRRX-CQSZACIVSA-N 2 1 338.293 3.008 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660447921 461785706 /nfs/dbraw/zinc/78/57/06/461785706.db2.gz KSYOGNQQWCWIFM-CZAYHTPWSA-N 2 1 341.543 3.028 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@H](C)CN1C[C@H](O)C[N@@H+](C)C(C)C ZINC000660533067 461836042 /nfs/dbraw/zinc/83/60/42/461836042.db2.gz BJSJGGHDZQBTEJ-SCTDSRPQSA-N 2 1 334.504 3.169 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000660533067 461836047 /nfs/dbraw/zinc/83/60/47/461836047.db2.gz BJSJGGHDZQBTEJ-SCTDSRPQSA-N 2 1 334.504 3.169 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000660533067 461836053 /nfs/dbraw/zinc/83/60/53/461836053.db2.gz BJSJGGHDZQBTEJ-SCTDSRPQSA-N 2 1 334.504 3.169 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@H](C)C[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000660533067 461836059 /nfs/dbraw/zinc/83/60/59/461836059.db2.gz BJSJGGHDZQBTEJ-SCTDSRPQSA-N 2 1 334.504 3.169 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@H](C)C[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000660533067 461836065 /nfs/dbraw/zinc/83/60/65/461836065.db2.gz BJSJGGHDZQBTEJ-SCTDSRPQSA-N 2 1 334.504 3.169 20 0 EGADMP C[N@@H+](CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@@H]1CC[NH2+]C1 ZINC000647882674 461869891 /nfs/dbraw/zinc/86/98/91/461869891.db2.gz LPAGIJZNPBRUPW-MRXNPFEDSA-N 2 1 344.478 3.470 20 0 EGADMP CC[C@@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000647936518 461894101 /nfs/dbraw/zinc/89/41/01/461894101.db2.gz GPRCCVFJKVJEEN-XLIONFOSSA-N 2 1 337.467 3.498 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000647936518 461894108 /nfs/dbraw/zinc/89/41/08/461894108.db2.gz GPRCCVFJKVJEEN-XLIONFOSSA-N 2 1 337.467 3.498 20 0 EGADMP Clc1cncc(OC2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000647941049 461898563 /nfs/dbraw/zinc/89/85/63/461898563.db2.gz KBFNHDBKXYJBMQ-UHFFFAOYSA-N 2 1 337.895 3.454 20 0 EGADMP CC(C)(C)c1nc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000650707046 461899479 /nfs/dbraw/zinc/89/94/79/461899479.db2.gz XLEBBZADGQOPBR-OFQRWUPVSA-N 2 1 337.533 3.159 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCCCCOc3ccccc3)C2)C1 ZINC000650707693 461900934 /nfs/dbraw/zinc/90/09/34/461900934.db2.gz KYLYLLAGWSORIN-QKNQBKEWSA-N 2 1 346.515 3.454 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000650707548 461901205 /nfs/dbraw/zinc/90/12/05/461901205.db2.gz IJLGDGVOOZNDSS-JJRVBVJISA-N 2 1 326.843 3.197 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000650708058 461901662 /nfs/dbraw/zinc/90/16/62/461901662.db2.gz SQNAEQISYOTGRJ-UNEWFSDZSA-N 2 1 326.843 3.197 20 0 EGADMP CCCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650722272 461913840 /nfs/dbraw/zinc/91/38/40/461913840.db2.gz ONFCHNZSOKTERA-RLLQIKCJSA-N 2 1 332.488 3.336 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cccc3cccnc32)C1 ZINC000650721996 461914894 /nfs/dbraw/zinc/91/48/94/461914894.db2.gz HZPONRVUERFBEY-QRVBRYPASA-N 2 1 325.456 3.096 20 0 EGADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976178 461919268 /nfs/dbraw/zinc/91/92/68/461919268.db2.gz LGJDQACPZHTQQK-BZUAXINKSA-N 2 1 349.906 3.379 20 0 EGADMP O[C@H](CCc1ccccc1)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678570 461921864 /nfs/dbraw/zinc/92/18/64/461921864.db2.gz WFZYSRPIKCTNMW-JOCHJYFZSA-N 2 1 338.495 3.234 20 0 EGADMP N[C@@H]1C[N@H+](C[C@@H]2CCOc3ccccc32)C[C@H]1c1cccc(F)c1 ZINC000667052283 461929904 /nfs/dbraw/zinc/92/99/04/461929904.db2.gz FLJGDKGTXHZZIH-ZYSHUDEJSA-N 2 1 326.415 3.119 20 0 EGADMP N[C@@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)C[C@H]1c1cccc(F)c1 ZINC000667052283 461929909 /nfs/dbraw/zinc/92/99/09/461929909.db2.gz FLJGDKGTXHZZIH-ZYSHUDEJSA-N 2 1 326.415 3.119 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000644652060 462024138 /nfs/dbraw/zinc/02/41/38/462024138.db2.gz LZGOEAJMVXLVMY-ZWKOTPCHSA-N 2 1 340.458 3.285 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000644652060 462024141 /nfs/dbraw/zinc/02/41/41/462024141.db2.gz LZGOEAJMVXLVMY-ZWKOTPCHSA-N 2 1 340.458 3.285 20 0 EGADMP Cc1c(Br)cncc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000657303575 462029967 /nfs/dbraw/zinc/02/99/67/462029967.db2.gz DAUILGSXIUZXSW-UHFFFAOYSA-N 2 1 340.309 3.363 20 0 EGADMP COc1ncc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)c2ccccc21 ZINC000639659478 462044232 /nfs/dbraw/zinc/04/42/32/462044232.db2.gz MLOLTVJPCBEZCJ-HXUWFJFHSA-N 2 1 325.456 3.161 20 0 EGADMP COc1ncc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c2ccccc21 ZINC000639659478 462044236 /nfs/dbraw/zinc/04/42/36/462044236.db2.gz MLOLTVJPCBEZCJ-HXUWFJFHSA-N 2 1 325.456 3.161 20 0 EGADMP COc1ncc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c2ccccc21 ZINC000639659478 462044239 /nfs/dbraw/zinc/04/42/39/462044239.db2.gz MLOLTVJPCBEZCJ-HXUWFJFHSA-N 2 1 325.456 3.161 20 0 EGADMP COc1ncc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c2ccccc21 ZINC000639659478 462044242 /nfs/dbraw/zinc/04/42/42/462044242.db2.gz MLOLTVJPCBEZCJ-HXUWFJFHSA-N 2 1 325.456 3.161 20 0 EGADMP COc1ncc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c2ccccc21 ZINC000639659478 462044247 /nfs/dbraw/zinc/04/42/47/462044247.db2.gz MLOLTVJPCBEZCJ-HXUWFJFHSA-N 2 1 325.456 3.161 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cncc(Br)c1C ZINC000657347069 462062165 /nfs/dbraw/zinc/06/21/65/462062165.db2.gz NKBMOBVROKBOED-NSHDSACASA-N 2 1 337.265 3.083 20 0 EGADMP CC[N@@H+](CCCNC(=O)N[C@H]1C[C@@H](C)n2ccnc21)C1CCCCC1 ZINC000651138363 462102974 /nfs/dbraw/zinc/10/29/74/462102974.db2.gz FUKCSFPGGVPBEJ-WBVHZDCISA-N 2 1 347.507 3.233 20 0 EGADMP Cc1[nH+]cc(CNc2cccc(C[NH+]3CCSCC3)c2C)n1C ZINC000657407454 462103805 /nfs/dbraw/zinc/10/38/05/462103805.db2.gz NTNSFMMPUNBLEY-UHFFFAOYSA-N 2 1 330.501 3.198 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657412758 462106266 /nfs/dbraw/zinc/10/62/66/462106266.db2.gz DSCWPWIKAQVKAR-CTNGQTDRSA-N 2 1 346.515 3.312 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2c(C)cccc2C)CC1 ZINC000661134881 462120696 /nfs/dbraw/zinc/12/06/96/462120696.db2.gz WXNFZMYIDAKRQS-IBGZPJMESA-N 2 1 343.515 3.041 20 0 EGADMP Clc1cnc2oc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cc2c1 ZINC000648457606 462128455 /nfs/dbraw/zinc/12/84/55/462128455.db2.gz FWVDPUHYGDGDOS-CYBMUJFWSA-N 2 1 349.862 3.072 20 0 EGADMP c1cn2c(n1)[C@H](N[C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000648629215 462207185 /nfs/dbraw/zinc/20/71/85/462207185.db2.gz VARITUOJCOFWKU-LWYYNNOASA-N 2 1 336.483 3.218 20 0 EGADMP CCOC1CCC([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CC1 ZINC000657876550 462304818 /nfs/dbraw/zinc/30/48/18/462304818.db2.gz FCXHACMQIAIZAO-UHFFFAOYSA-N 2 1 349.519 3.441 20 0 EGADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000657882016 462307623 /nfs/dbraw/zinc/30/76/23/462307623.db2.gz WGWUQESVQAULEB-OALUTQOASA-N 2 1 338.923 3.488 20 0 EGADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCc1c[nH+]cn1C ZINC000657981965 462336912 /nfs/dbraw/zinc/33/69/12/462336912.db2.gz JIMWCHWCHABEHY-OAHLLOKOSA-N 2 1 336.277 3.336 20 0 EGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000651829785 462350633 /nfs/dbraw/zinc/35/06/33/462350633.db2.gz MYLPVLZLEGZETQ-SFHVURJKSA-N 2 1 326.488 3.311 20 0 EGADMP N[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000665240571 462364584 /nfs/dbraw/zinc/36/45/84/462364584.db2.gz NTNMIYKQGLAFIN-RTWAWAEBSA-N 2 1 336.483 3.028 20 0 EGADMP C[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658090368 462378273 /nfs/dbraw/zinc/37/82/73/462378273.db2.gz GROCXUZSJKLXJH-FUHWJXTLSA-N 2 1 333.520 3.150 20 0 EGADMP C[C@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658090368 462378280 /nfs/dbraw/zinc/37/82/80/462378280.db2.gz GROCXUZSJKLXJH-FUHWJXTLSA-N 2 1 333.520 3.150 20 0 EGADMP c1ccc(CN2CCCO[C@@H](C[N@H+]3CC[C@@H](C4CCC4)C3)C2)cc1 ZINC000665290027 462387079 /nfs/dbraw/zinc/38/70/79/462387079.db2.gz GBRMBLVVAJEPHF-NHCUHLMSSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc([C@@H]2C[C@H](NC[C@H]3CCC[N@@H+](CC4CC4)C3)CC[NH2+]2)cc1 ZINC000665299672 462391628 /nfs/dbraw/zinc/39/16/28/462391628.db2.gz RBEKVVXIJUTFAH-NRSPTQNISA-N 3 1 327.516 3.191 20 0 EGADMP CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531710 462431089 /nfs/dbraw/zinc/43/10/89/462431089.db2.gz PIRIVUYSZREVQJ-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652140368 462447745 /nfs/dbraw/zinc/44/77/45/462447745.db2.gz MIUVXGUXMPPQQB-BBWFWOEESA-N 2 1 348.487 3.380 20 0 EGADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000649243537 462452896 /nfs/dbraw/zinc/45/28/96/462452896.db2.gz MFNVQQQFZDMHSV-UXHICEINSA-N 2 1 341.499 3.086 20 0 EGADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000649243537 462452902 /nfs/dbraw/zinc/45/29/02/462452902.db2.gz MFNVQQQFZDMHSV-UXHICEINSA-N 2 1 341.499 3.086 20 0 EGADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000649243537 462452905 /nfs/dbraw/zinc/45/29/05/462452905.db2.gz MFNVQQQFZDMHSV-UXHICEINSA-N 2 1 341.499 3.086 20 0 EGADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000649243537 462452909 /nfs/dbraw/zinc/45/29/09/462452909.db2.gz MFNVQQQFZDMHSV-UXHICEINSA-N 2 1 341.499 3.086 20 0 EGADMP CC(C)[NH+]1CCC([NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)CC1 ZINC000658349457 462485384 /nfs/dbraw/zinc/48/53/84/462485384.db2.gz TXQMFXKJRKOFLD-OAQYLSRUSA-N 2 1 346.515 3.345 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000178701997 533759333 /nfs/dbraw/zinc/75/93/33/533759333.db2.gz VUAIDQLFIZRNBF-LSDHHAIUSA-N 2 1 331.460 3.066 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)CC[N@H+]1C ZINC000178462490 533942831 /nfs/dbraw/zinc/94/28/31/533942831.db2.gz AXRZVIOIRZWMFV-SJLPKXTDSA-N 2 1 344.499 3.342 20 0 EGADMP Cc1ccc(C[C@@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000191494378 534133725 /nfs/dbraw/zinc/13/37/25/534133725.db2.gz IQCBENDFMCBQCY-QFIPXVFZSA-N 2 1 343.559 3.418 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000177927055 534447162 /nfs/dbraw/zinc/44/71/62/534447162.db2.gz QTRZTWUCDZZJPY-DVOMOZLQSA-N 2 1 341.293 3.146 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000167145825 528844340 /nfs/dbraw/zinc/84/43/40/528844340.db2.gz KZHNHHVNHPWSGC-JENIJYKNSA-N 2 1 334.504 3.229 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000167145825 528844342 /nfs/dbraw/zinc/84/43/42/528844342.db2.gz KZHNHHVNHPWSGC-JENIJYKNSA-N 2 1 334.504 3.229 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000344849836 535578205 /nfs/dbraw/zinc/57/82/05/535578205.db2.gz VNMISSSHMXWFIL-HKUYNNGSSA-N 2 1 341.503 3.462 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC000344742665 535760507 /nfs/dbraw/zinc/76/05/07/535760507.db2.gz QRNFKUIFEGNVGU-FXAWDEMLSA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC000344742665 535760510 /nfs/dbraw/zinc/76/05/10/535760510.db2.gz QRNFKUIFEGNVGU-FXAWDEMLSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC000344742665 535760513 /nfs/dbraw/zinc/76/05/13/535760513.db2.gz QRNFKUIFEGNVGU-FXAWDEMLSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC000344742665 535760516 /nfs/dbraw/zinc/76/05/16/535760516.db2.gz QRNFKUIFEGNVGU-FXAWDEMLSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000353470958 535925042 /nfs/dbraw/zinc/92/50/42/535925042.db2.gz QZUPTBVAVLXDBG-MNEFBYGVSA-N 2 1 329.488 3.245 20 0 EGADMP C[N@@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000348056387 536419849 /nfs/dbraw/zinc/41/98/49/536419849.db2.gz RDWQQRCIOLGTGA-NQIIRXRSSA-N 2 1 326.484 3.017 20 0 EGADMP C[NH+](C[C@@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000348056387 536419853 /nfs/dbraw/zinc/41/98/53/536419853.db2.gz RDWQQRCIOLGTGA-NQIIRXRSSA-N 2 1 326.484 3.017 20 0 EGADMP C[NH+](C[C@@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000348056387 536419854 /nfs/dbraw/zinc/41/98/54/536419854.db2.gz RDWQQRCIOLGTGA-NQIIRXRSSA-N 2 1 326.484 3.017 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cnc(C)s2)[C@H](C)C1 ZINC000090417264 546656991 /nfs/dbraw/zinc/65/69/91/546656991.db2.gz JOBLKHWUUFLESV-YCPHGPKFSA-N 2 1 325.522 3.239 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cnc(C)s2)[C@H](C)C1 ZINC000090417264 546656994 /nfs/dbraw/zinc/65/69/94/546656994.db2.gz JOBLKHWUUFLESV-YCPHGPKFSA-N 2 1 325.522 3.239 20 0 EGADMP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)CC1CCOCC1 ZINC000093315086 546683880 /nfs/dbraw/zinc/68/38/80/546683880.db2.gz JZGSEOVEXFBCOR-UHFFFAOYSA-N 2 1 332.488 3.020 20 0 EGADMP Cn1cccc1C[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000093584905 546685287 /nfs/dbraw/zinc/68/52/87/546685287.db2.gz TYFUFQLUJJUMPB-UHFFFAOYSA-N 2 1 327.472 3.132 20 0 EGADMP C[C@@H](CC[N@@H+](C)CCC1CCOCC1)[NH+](C)CCC1CCOCC1 ZINC000153743049 546882945 /nfs/dbraw/zinc/88/29/45/546882945.db2.gz PVUQNAXVDJPYIP-SFHVURJKSA-N 2 1 340.552 3.262 20 0 EGADMP C[C@@H](CC[NH+](C)CCC1CCOCC1)[N@H+](C)CCC1CCOCC1 ZINC000153743049 546882946 /nfs/dbraw/zinc/88/29/46/546882946.db2.gz PVUQNAXVDJPYIP-SFHVURJKSA-N 2 1 340.552 3.262 20 0 EGADMP C[C@@H](CC[NH+](C)CCC1CCOCC1)[N@@H+](C)CCC1CCOCC1 ZINC000153743049 546882949 /nfs/dbraw/zinc/88/29/49/546882949.db2.gz PVUQNAXVDJPYIP-SFHVURJKSA-N 2 1 340.552 3.262 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166426421 546987136 /nfs/dbraw/zinc/98/71/36/546987136.db2.gz RWHYWBWGZUNTBC-HUUCEWRRSA-N 2 1 335.879 3.193 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(OC[C@H]2CCCO2)c1 ZINC000166834138 546989197 /nfs/dbraw/zinc/98/91/97/546989197.db2.gz HQAGPQODRRCBFC-VAMGGRTRSA-N 2 1 344.499 3.269 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(OC[C@H]2CCCO2)c1 ZINC000166834138 546989202 /nfs/dbraw/zinc/98/92/02/546989202.db2.gz HQAGPQODRRCBFC-VAMGGRTRSA-N 2 1 344.499 3.269 20 0 EGADMP Cc1cccc(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000280566180 547373244 /nfs/dbraw/zinc/37/32/44/547373244.db2.gz LHEUQGKVALRRJX-ILWGZMRPSA-N 2 1 335.495 3.433 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310894534 547461354 /nfs/dbraw/zinc/46/13/54/547461354.db2.gz ZXHIZEQIWIZAEJ-HOJAQTOUSA-N 2 1 345.531 3.024 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310859321 547462153 /nfs/dbraw/zinc/46/21/53/547462153.db2.gz CECJUCDRFLBFAT-PMACEKPBSA-N 2 1 345.531 3.026 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000339239534 547571527 /nfs/dbraw/zinc/57/15/27/547571527.db2.gz ZNVGWJBOSUVBEC-IAGOWNOFSA-N 2 1 349.544 3.266 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000339229362 547571647 /nfs/dbraw/zinc/57/16/47/547571647.db2.gz GZSIJOMAUGUCHW-UYAOXDASSA-N 2 1 343.515 3.204 20 0 EGADMP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370737383 547791298 /nfs/dbraw/zinc/79/12/98/547791298.db2.gz IEDFQMHLAOCPJA-ZIAGYGMSSA-N 2 1 332.398 3.071 20 0 EGADMP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370737383 547791301 /nfs/dbraw/zinc/79/13/01/547791301.db2.gz IEDFQMHLAOCPJA-ZIAGYGMSSA-N 2 1 332.398 3.071 20 0 EGADMP C[C@@H](CC1CCC1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000675832225 548991931 /nfs/dbraw/zinc/99/19/31/548991931.db2.gz JYNUWJXSHRPSPX-JXFKEZNVSA-N 2 1 343.515 3.052 20 0 EGADMP CC(C)[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)Cc1ccccn1 ZINC000678194305 549422298 /nfs/dbraw/zinc/42/22/98/549422298.db2.gz RCFLNGSDBDWCRH-UHFFFAOYSA-N 2 1 327.472 3.433 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)nc2C)[C@@H](C)C1 ZINC000678426058 549488912 /nfs/dbraw/zinc/48/89/12/549488912.db2.gz FDXDDFVOPRCKEK-CVAIRZPRSA-N 2 1 333.520 3.486 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)nc2C)[C@@H](C)C1 ZINC000678426060 549489048 /nfs/dbraw/zinc/48/90/48/549489048.db2.gz FDXDDFVOPRCKEK-QSFXBCCZSA-N 2 1 333.520 3.486 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)CCCCO)CC2)cs1 ZINC000679340225 549691529 /nfs/dbraw/zinc/69/15/29/549691529.db2.gz NDQDPIJOHBENFW-OAHLLOKOSA-N 2 1 339.549 3.058 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[C@H]1CCCO1 ZINC000680352969 549854191 /nfs/dbraw/zinc/85/41/91/549854191.db2.gz WKCVQYFDZDXCLV-JOZSIVFUSA-N 2 1 328.500 3.444 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000681250284 549972986 /nfs/dbraw/zinc/97/29/86/549972986.db2.gz CIOQMVYVUOPEBB-MJGOQNOKSA-N 2 1 345.531 3.182 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000683341264 550220200 /nfs/dbraw/zinc/22/02/00/550220200.db2.gz JYYUQJQVZBFMMA-UHFFFAOYSA-N 2 1 336.332 3.172 20 0 EGADMP C[N@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CCc2ccccc21 ZINC000683787769 550262053 /nfs/dbraw/zinc/26/20/53/550262053.db2.gz PYMWMVARMBDUIH-VXKWHMMOSA-N 2 1 336.479 3.243 20 0 EGADMP C[N@@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CCc2ccccc21 ZINC000683787769 550262055 /nfs/dbraw/zinc/26/20/55/550262055.db2.gz PYMWMVARMBDUIH-VXKWHMMOSA-N 2 1 336.479 3.243 20 0 EGADMP C[NH+](C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCc2ccccc21 ZINC000683787769 550262057 /nfs/dbraw/zinc/26/20/57/550262057.db2.gz PYMWMVARMBDUIH-VXKWHMMOSA-N 2 1 336.479 3.243 20 0 EGADMP C[NH+](C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCc2ccccc21 ZINC000683787769 550262060 /nfs/dbraw/zinc/26/20/60/550262060.db2.gz PYMWMVARMBDUIH-VXKWHMMOSA-N 2 1 336.479 3.243 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC000684553364 550341700 /nfs/dbraw/zinc/34/17/00/550341700.db2.gz FVLIRNSTCWJGLL-MMNRESRNSA-N 2 1 330.472 3.296 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC000684553364 550341703 /nfs/dbraw/zinc/34/17/03/550341703.db2.gz FVLIRNSTCWJGLL-MMNRESRNSA-N 2 1 330.472 3.296 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000732273853 575252389 /nfs/dbraw/zinc/25/23/89/575252389.db2.gz DRPLUONLBMZRQW-QRVBRYPASA-N 2 1 337.552 3.362 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000733187017 575318215 /nfs/dbraw/zinc/31/82/15/575318215.db2.gz KDRGWESRFDSXTC-IAGOWNOFSA-N 2 1 331.508 3.247 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000063917729 1292030670 /nfs/dbraw/zinc/03/06/70/1292030670.db2.gz ZJVYCRHARLUYKX-CQSZACIVSA-N 2 1 328.403 3.118 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1nccc1-c1cccnc1 ZINC000066795614 1292130736 /nfs/dbraw/zinc/13/07/36/1292130736.db2.gz MMZOZQXHAOWFGO-UHFFFAOYSA-N 2 1 349.482 3.486 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(Br)c2)C1 ZINC000067223156 1292154516 /nfs/dbraw/zinc/15/45/16/1292154516.db2.gz ORRWCMWLLSFHHG-CQSZACIVSA-N 2 1 341.293 3.279 20 0 EGADMP Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000075677024 1292405017 /nfs/dbraw/zinc/40/50/17/1292405017.db2.gz CRVYDSSNVHXPQN-TZIWHRDSSA-N 2 1 330.516 3.472 20 0 EGADMP Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000075677024 1292405021 /nfs/dbraw/zinc/40/50/21/1292405021.db2.gz CRVYDSSNVHXPQN-TZIWHRDSSA-N 2 1 330.516 3.472 20 0 EGADMP CCCOc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000076763286 1292441768 /nfs/dbraw/zinc/44/17/68/1292441768.db2.gz KOUNZBYLXBHEIF-SFHVURJKSA-N 2 1 332.488 3.066 20 0 EGADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1c(F)cccc1F ZINC000077221229 1292457590 /nfs/dbraw/zinc/45/75/90/1292457590.db2.gz WVGIQAOQRQUOJJ-LJQANCHMSA-N 2 1 346.421 3.252 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cccc(O)c3)cc2)C[C@H](C)O1 ZINC000078616539 1292519035 /nfs/dbraw/zinc/51/90/35/1292519035.db2.gz XHRGLFSLVBBJSF-CALCHBBNSA-N 2 1 340.467 3.291 20 0 EGADMP [NH3+]CCCCCCC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000831798180 1292918471 /nfs/dbraw/zinc/91/84/71/1292918471.db2.gz GPTFVAPYPJXREG-UHFFFAOYSA-N 2 1 338.521 3.367 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000105443748 1293035802 /nfs/dbraw/zinc/03/58/02/1293035802.db2.gz WXZOEBIGHSSNRJ-GFCCVEGCSA-N 2 1 335.835 3.042 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000105457267 1293037460 /nfs/dbraw/zinc/03/74/60/1293037460.db2.gz BQSCDVKGRZGRKQ-LJQANCHMSA-N 2 1 326.488 3.141 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000105457267 1293037468 /nfs/dbraw/zinc/03/74/68/1293037468.db2.gz BQSCDVKGRZGRKQ-LJQANCHMSA-N 2 1 326.488 3.141 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000108428300 1293081529 /nfs/dbraw/zinc/08/15/29/1293081529.db2.gz SZVSAQNLTIDEIR-IBGZPJMESA-N 2 1 325.456 3.092 20 0 EGADMP CC1([NH+]2CCC2)CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000834784218 1293148056 /nfs/dbraw/zinc/14/80/56/1293148056.db2.gz ZYUOFGRHKXTCOP-MOMVYJMYSA-N 2 1 347.547 3.307 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000118772045 1293242821 /nfs/dbraw/zinc/24/28/21/1293242821.db2.gz SESLRMQSZDJJEG-HXUWFJFHSA-N 2 1 345.531 3.406 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000118772045 1293242826 /nfs/dbraw/zinc/24/28/26/1293242826.db2.gz SESLRMQSZDJJEG-HXUWFJFHSA-N 2 1 345.531 3.406 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000118772045 1293242832 /nfs/dbraw/zinc/24/28/32/1293242832.db2.gz SESLRMQSZDJJEG-HXUWFJFHSA-N 2 1 345.531 3.406 20 0 EGADMP CC[C@@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000130507435 1293659629 /nfs/dbraw/zinc/65/96/29/1293659629.db2.gz GDPANAUKEJORPI-KRWDZBQOSA-N 2 1 339.524 3.098 20 0 EGADMP COc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000157981249 1294193328 /nfs/dbraw/zinc/19/33/28/1294193328.db2.gz KXCSKPMTQTXGPW-GOSISDBHSA-N 2 1 348.531 3.495 20 0 EGADMP Cc1nn(C)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000160129744 1294259216 /nfs/dbraw/zinc/25/92/16/1294259216.db2.gz LNJOGVLOLIVTDL-INIZCTEOSA-N 2 1 326.488 3.393 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc(F)cc(F)c3)c2)CCO1 ZINC000160925273 1294281217 /nfs/dbraw/zinc/28/12/17/1294281217.db2.gz PHHVABUJSMQMJB-HNNXBMFYSA-N 2 1 346.421 3.475 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc(F)cc(F)c3)c2)CCO1 ZINC000160925273 1294281223 /nfs/dbraw/zinc/28/12/23/1294281223.db2.gz PHHVABUJSMQMJB-HNNXBMFYSA-N 2 1 346.421 3.475 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000178706031 1294751936 /nfs/dbraw/zinc/75/19/36/1294751936.db2.gz PZLOIBVFFVJLCE-HZPDHXFCSA-N 2 1 340.471 3.305 20 0 EGADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C2CC[NH+](C)CC2)ccc1OC ZINC000182234482 1295028250 /nfs/dbraw/zinc/02/82/50/1295028250.db2.gz RIZQOAVZBXWETM-INIZCTEOSA-N 3 1 333.520 3.282 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000185288359 1295253231 /nfs/dbraw/zinc/25/32/31/1295253231.db2.gz AXCCBRLCSCEYLS-CQSZACIVSA-N 2 1 325.840 3.458 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000185288359 1295253236 /nfs/dbraw/zinc/25/32/36/1295253236.db2.gz AXCCBRLCSCEYLS-CQSZACIVSA-N 2 1 325.840 3.458 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000870891684 1296131631 /nfs/dbraw/zinc/13/16/31/1296131631.db2.gz HPHFZXNGLADZOK-VBSBHUPXSA-N 2 1 343.515 3.015 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000245572210 1296315913 /nfs/dbraw/zinc/31/59/13/1296315913.db2.gz GWSYAKVIPGSCAJ-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000245572210 1296315937 /nfs/dbraw/zinc/31/59/37/1296315937.db2.gz GWSYAKVIPGSCAJ-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000245572210 1296315954 /nfs/dbraw/zinc/31/59/54/1296315954.db2.gz GWSYAKVIPGSCAJ-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000261538109 1296592768 /nfs/dbraw/zinc/59/27/68/1296592768.db2.gz DBDITEGQVUEKTA-DOIPELPJSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000261538109 1296592782 /nfs/dbraw/zinc/59/27/82/1296592782.db2.gz DBDITEGQVUEKTA-DOIPELPJSA-N 2 1 327.516 3.161 20 0 EGADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C(=O)N(C)c1ccc(C)cc1 ZINC000871886353 1296594533 /nfs/dbraw/zinc/59/45/33/1296594533.db2.gz JDLBQJRHFLXRGA-IBGZPJMESA-N 2 1 331.504 3.200 20 0 EGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261753580 1296600954 /nfs/dbraw/zinc/60/09/54/1296600954.db2.gz CIUUEWATBOYFQF-INIZCTEOSA-N 2 1 338.377 3.266 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262059267 1296616924 /nfs/dbraw/zinc/61/69/24/1296616924.db2.gz QZWKGRYRIXBPIX-UHFFFAOYSA-N 2 1 342.462 3.204 20 0 EGADMP Clc1ccc(-c2n[nH]cc2C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000262101995 1296618424 /nfs/dbraw/zinc/61/84/24/1296618424.db2.gz VRQXUYNXSYQRLQ-UHFFFAOYSA-N 2 1 330.863 3.306 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cc(O)ccc1F ZINC000872025489 1296672748 /nfs/dbraw/zinc/67/27/48/1296672748.db2.gz NOSZWQGKWITNCK-CQSZACIVSA-N 2 1 332.419 3.323 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cc(O)ccc1F ZINC000872030011 1296676888 /nfs/dbraw/zinc/67/68/88/1296676888.db2.gz XPIQLIZGSUNNCT-AWEZNQCLSA-N 2 1 332.419 3.323 20 0 EGADMP CC1(C)CCc2onc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)c2C1 ZINC000872145621 1296767269 /nfs/dbraw/zinc/76/72/69/1296767269.db2.gz VGCKDMGAEHRKIZ-LSBZLQRGSA-N 2 1 347.503 3.050 20 0 EGADMP CC1(C)CCc2onc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)c2C1 ZINC000872145621 1296767283 /nfs/dbraw/zinc/76/72/83/1296767283.db2.gz VGCKDMGAEHRKIZ-LSBZLQRGSA-N 2 1 347.503 3.050 20 0 EGADMP C[C@H](C(=O)N1CCCCC1)[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156494 1296777990 /nfs/dbraw/zinc/77/79/90/1296777990.db2.gz KEGBNPALZUZOEB-ZIFCJYIRSA-N 2 1 335.536 3.007 20 0 EGADMP O[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1c(Cl)cccc1Cl ZINC000305788423 1297051673 /nfs/dbraw/zinc/05/16/73/1297051673.db2.gz ZDPWAEOSUJZFCM-INIZCTEOSA-N 2 1 343.298 3.491 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000310045097 1297083421 /nfs/dbraw/zinc/08/34/21/1297083421.db2.gz BEEZBFIFHNGUPV-YESZJQIVSA-N 2 1 341.540 3.484 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000310045097 1297083433 /nfs/dbraw/zinc/08/34/33/1297083433.db2.gz BEEZBFIFHNGUPV-YESZJQIVSA-N 2 1 341.540 3.484 20 0 EGADMP C[C@@]1(C[NH2+]C[C@H](O)c2ccccc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000310925311 1297104383 /nfs/dbraw/zinc/10/43/83/1297104383.db2.gz RZPBVPNXXJZSMN-SFTDATJTSA-N 2 1 342.458 3.361 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1n1cncn1 ZINC000340235121 1297310264 /nfs/dbraw/zinc/31/02/64/1297310264.db2.gz KIAAEQCWGNSLGZ-NCXUSEDFSA-N 2 1 333.524 3.252 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1n1cncn1 ZINC000340235121 1297310277 /nfs/dbraw/zinc/31/02/77/1297310277.db2.gz KIAAEQCWGNSLGZ-NCXUSEDFSA-N 2 1 333.524 3.252 20 0 EGADMP COc1ccc(C[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1OC ZINC000873201766 1297346306 /nfs/dbraw/zinc/34/63/06/1297346306.db2.gz WJLQYXKHXCARAM-UHFFFAOYSA-N 2 1 332.469 3.043 20 0 EGADMP OCCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H]1CCc2ccccc21 ZINC000873205562 1297349643 /nfs/dbraw/zinc/34/96/43/1297349643.db2.gz PDFIIIVVSGRZRA-IBGZPJMESA-N 2 1 342.508 3.266 20 0 EGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](Cc2cnc3ccccn23)C1)C1CCCC1 ZINC000873231787 1297372871 /nfs/dbraw/zinc/37/28/71/1297372871.db2.gz DFIGUUBBNRUOJM-VQIMIIECSA-N 2 1 326.488 3.454 20 0 EGADMP CC(C)n1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000383424964 1297571206 /nfs/dbraw/zinc/57/12/06/1297571206.db2.gz CCXFCOQNSFJMMD-LJQANCHMSA-N 2 1 326.488 3.466 20 0 EGADMP CC(C)n1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000383424964 1297571210 /nfs/dbraw/zinc/57/12/10/1297571210.db2.gz CCXFCOQNSFJMMD-LJQANCHMSA-N 2 1 326.488 3.466 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2CNC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000385484379 1297583174 /nfs/dbraw/zinc/58/31/74/1297583174.db2.gz BEDIZOMWGXYBGG-MAUKXSAKSA-N 2 1 347.503 3.284 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2CNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000385484379 1297583177 /nfs/dbraw/zinc/58/31/77/1297583177.db2.gz BEDIZOMWGXYBGG-MAUKXSAKSA-N 2 1 347.503 3.284 20 0 EGADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(F)cccc1F ZINC000386011997 1297586634 /nfs/dbraw/zinc/58/66/34/1297586634.db2.gz VLKPQXCFWMIHPQ-VQIMIIECSA-N 2 1 346.421 3.110 20 0 EGADMP CC(C)(C)OC(=O)NC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000699595027 1298170939 /nfs/dbraw/zinc/17/09/39/1298170939.db2.gz NFRZQHOCXSBPNZ-HOTGVXAUSA-N 2 1 337.508 3.040 20 0 EGADMP COc1cncc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000700073081 1298173951 /nfs/dbraw/zinc/17/39/51/1298173951.db2.gz TXKAAMMGOPWZPO-VQIMIIECSA-N 2 1 325.456 3.233 20 0 EGADMP COc1cncc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000700073081 1298173958 /nfs/dbraw/zinc/17/39/58/1298173958.db2.gz TXKAAMMGOPWZPO-VQIMIIECSA-N 2 1 325.456 3.233 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)C[NH2+]1 ZINC000700077461 1298174465 /nfs/dbraw/zinc/17/44/65/1298174465.db2.gz AZLQXUABIDJPHA-OAGGEKHMSA-N 2 1 339.524 3.142 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000715036115 1298277268 /nfs/dbraw/zinc/27/72/68/1298277268.db2.gz CHJHWMVDBRTJJH-SFTDATJTSA-N 3 1 329.532 3.492 20 0 EGADMP [NH3+]CCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715036115 1298277270 /nfs/dbraw/zinc/27/72/70/1298277270.db2.gz CHJHWMVDBRTJJH-SFTDATJTSA-N 3 1 329.532 3.492 20 0 EGADMP [NH3+]CCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715036115 1298277275 /nfs/dbraw/zinc/27/72/75/1298277275.db2.gz CHJHWMVDBRTJJH-SFTDATJTSA-N 3 1 329.532 3.492 20 0 EGADMP [NH3+]CCCCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715036115 1298277283 /nfs/dbraw/zinc/27/72/83/1298277283.db2.gz CHJHWMVDBRTJJH-SFTDATJTSA-N 2 1 329.532 3.492 20 0 EGADMP [NH3+]CCCCCCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715036115 1298277290 /nfs/dbraw/zinc/27/72/90/1298277290.db2.gz CHJHWMVDBRTJJH-SFTDATJTSA-N 2 1 329.532 3.492 20 0 EGADMP CC(C)[NH+](CC[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)C(C)C ZINC000724033427 1298345434 /nfs/dbraw/zinc/34/54/34/1298345434.db2.gz WYFURSKWDSKQGM-SJORKVTESA-N 2 1 341.540 3.388 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000746147955 1298543148 /nfs/dbraw/zinc/54/31/48/1298543148.db2.gz SNWFVCXTMHACJS-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000746147955 1298543161 /nfs/dbraw/zinc/54/31/61/1298543161.db2.gz SNWFVCXTMHACJS-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)(O)C[NH+]1CCC(Nc2ccc([NH+]3CCCCC3)cc2)CC1 ZINC000876819611 1299012734 /nfs/dbraw/zinc/01/27/34/1299012734.db2.gz JNJZKMGGVGGZRW-UHFFFAOYSA-N 2 1 331.504 3.324 20 0 EGADMP Cc1nnc(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)s1 ZINC000877537382 1299377789 /nfs/dbraw/zinc/37/77/89/1299377789.db2.gz LRIKFCAYWZSBIH-WMZOPIPTSA-N 2 1 342.512 3.347 20 0 EGADMP Cc1nnc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)s1 ZINC000877537382 1299377803 /nfs/dbraw/zinc/37/78/03/1299377803.db2.gz LRIKFCAYWZSBIH-WMZOPIPTSA-N 2 1 342.512 3.347 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000877653559 1299456301 /nfs/dbraw/zinc/45/63/01/1299456301.db2.gz NGZJVGMHYHAKGL-MRXNPFEDSA-N 2 1 339.524 3.003 20 0 EGADMP CCC/C(C)=C/C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000750850750 1299464075 /nfs/dbraw/zinc/46/40/75/1299464075.db2.gz AZTSUFXDKKKSPY-ISLYRVAYSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)(O)[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000877795943 1299563202 /nfs/dbraw/zinc/56/32/02/1299563202.db2.gz BEUIHIUUHDBORE-IBGZPJMESA-N 2 1 346.515 3.144 20 0 EGADMP CC(C)c1cn(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(=S)n1C ZINC000755779504 1300395250 /nfs/dbraw/zinc/39/52/50/1300395250.db2.gz IYRDJFMAONFKEH-MRXNPFEDSA-N 2 1 336.549 3.301 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000879579356 1300614340 /nfs/dbraw/zinc/61/43/40/1300614340.db2.gz ZQACLXHKOJLTSV-ZBFHGGJFSA-N 2 1 328.378 3.154 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000879579356 1300614349 /nfs/dbraw/zinc/61/43/49/1300614349.db2.gz ZQACLXHKOJLTSV-ZBFHGGJFSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000879579356 1300614359 /nfs/dbraw/zinc/61/43/59/1300614359.db2.gz ZQACLXHKOJLTSV-ZBFHGGJFSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000879579356 1300614366 /nfs/dbraw/zinc/61/43/66/1300614366.db2.gz ZQACLXHKOJLTSV-ZBFHGGJFSA-N 2 1 328.378 3.154 20 0 EGADMP FC[C@@H]1CC[NH+](Cc2cc(C[N@@H+]3CC[C@@H](CF)C3)ccc2F)C1 ZINC000880300156 1301038052 /nfs/dbraw/zinc/03/80/52/1301038052.db2.gz OVAWPMJTIUPVLQ-HOTGVXAUSA-N 2 1 326.406 3.409 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759853940 1301177142 /nfs/dbraw/zinc/17/71/42/1301177142.db2.gz PPESMFCEUKNHCX-QGZVFWFLSA-N 2 1 328.859 3.319 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759853940 1301177144 /nfs/dbraw/zinc/17/71/44/1301177144.db2.gz PPESMFCEUKNHCX-QGZVFWFLSA-N 2 1 328.859 3.319 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C[C@@H](C3CC3)CC2=O)CC1 ZINC000762504444 1301696356 /nfs/dbraw/zinc/69/63/56/1301696356.db2.gz RWKCJTVZLURKLA-XLIONFOSSA-N 2 1 347.547 3.179 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C[C@@H](C3CC3)CC2=O)CC1 ZINC000762504444 1301696363 /nfs/dbraw/zinc/69/63/63/1301696363.db2.gz RWKCJTVZLURKLA-XLIONFOSSA-N 2 1 347.547 3.179 20 0 EGADMP c1ccc2c(c1)CCSC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765978320 1302363752 /nfs/dbraw/zinc/36/37/52/1302363752.db2.gz UKTFIFWSYNRSOZ-QUCCMNQESA-N 2 1 346.540 3.250 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@@H]3CC[C@H](c4ccccc4)O3)C2)C1 ZINC000883434242 1302443963 /nfs/dbraw/zinc/44/39/63/1302443963.db2.gz KVSSQTLXEJKLHO-ADAARDCZSA-N 2 1 344.499 3.125 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000768169591 1302842612 /nfs/dbraw/zinc/84/26/12/1302842612.db2.gz VWKJWHSDNOIRRP-UHFFFAOYSA-N 2 1 345.874 3.472 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000768169591 1302842617 /nfs/dbraw/zinc/84/26/17/1302842617.db2.gz VWKJWHSDNOIRRP-UHFFFAOYSA-N 2 1 345.874 3.472 20 0 EGADMP COc1cccc2cc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)oc21 ZINC000770347191 1303251321 /nfs/dbraw/zinc/25/13/21/1303251321.db2.gz HDVSNXSZSCPGPE-SZVBFZGTSA-N 2 1 344.455 3.125 20 0 EGADMP COc1cccc2cc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)oc21 ZINC000770347191 1303251329 /nfs/dbraw/zinc/25/13/29/1303251329.db2.gz HDVSNXSZSCPGPE-SZVBFZGTSA-N 2 1 344.455 3.125 20 0 EGADMP CO[C@@H]1CC[C@H]([NH+](C)[C@H]2CC[C@H]([N@H+](C)[C@H]3CC[C@@H](OC)C3)CC2)C1 ZINC000886389449 1303454524 /nfs/dbraw/zinc/45/45/24/1303454524.db2.gz JSMBLKDBBALJAC-GFLQDLJJSA-N 2 1 338.536 3.296 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)[nH+]c1C ZINC000886670198 1303549183 /nfs/dbraw/zinc/54/91/83/1303549183.db2.gz KVTNHQNXVPMHNK-CKEIUWERSA-N 2 1 346.519 3.099 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCN(c4cc[nH+]cc4)C[C@H]3C)cc(=O)oc2c1 ZINC000887133225 1303686157 /nfs/dbraw/zinc/68/61/57/1303686157.db2.gz WQEDCAXOCBOTRI-MRXNPFEDSA-N 2 1 349.434 3.207 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CCN(c4cc[nH+]cc4)C[C@H]3C)cc(=O)oc2c1 ZINC000887133225 1303686161 /nfs/dbraw/zinc/68/61/61/1303686161.db2.gz WQEDCAXOCBOTRI-MRXNPFEDSA-N 2 1 349.434 3.207 20 0 EGADMP Cc1ncc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000775522538 1303978481 /nfs/dbraw/zinc/97/84/81/1303978481.db2.gz STGBBZCDJWRBID-QAPCUYQASA-N 2 1 329.513 3.494 20 0 EGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc2ccccc2[nH]1 ZINC000775627533 1303996621 /nfs/dbraw/zinc/99/66/21/1303996621.db2.gz NEYDNBLVFGABOC-MRXNPFEDSA-N 2 1 328.504 3.092 20 0 EGADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CCCCC1 ZINC000775623668 1303996713 /nfs/dbraw/zinc/99/67/13/1303996713.db2.gz TZCCGLAARRHAQK-HOTGVXAUSA-N 2 1 339.524 3.286 20 0 EGADMP CCCCCCNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000775686705 1304015779 /nfs/dbraw/zinc/01/57/79/1304015779.db2.gz JBGNZPOPBLUKLA-ICSRJNTNSA-N 2 1 345.531 3.183 20 0 EGADMP CCCCCCNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000775686705 1304015783 /nfs/dbraw/zinc/01/57/83/1304015783.db2.gz JBGNZPOPBLUKLA-ICSRJNTNSA-N 2 1 345.531 3.183 20 0 EGADMP C[C@H]1C[C@@H](Nc2ccc(OCC[NH+](C)C)c(Cl)c2)CC[N@H+]1C ZINC000777649006 1304330124 /nfs/dbraw/zinc/33/01/24/1304330124.db2.gz BIQZDOFRSAWQFN-ZFWWWQNUSA-N 2 1 325.884 3.175 20 0 EGADMP CC[NH+](CC)CCOc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000777656801 1304330954 /nfs/dbraw/zinc/33/09/54/1304330954.db2.gz LHKKGAZLGDHFCO-FUHWJXTLSA-N 2 1 349.519 3.310 20 0 EGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000779023283 1304519883 /nfs/dbraw/zinc/51/98/83/1304519883.db2.gz FBFBORIOMVPVBG-LEWJYISDSA-N 2 1 330.516 3.487 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccc(Br)n2)CC1 ZINC000779433731 1304572305 /nfs/dbraw/zinc/57/23/05/1304572305.db2.gz CQQQHRRQVFFYNJ-UHFFFAOYSA-N 2 1 340.309 3.396 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc(Br)n2)CC1 ZINC000779433731 1304572307 /nfs/dbraw/zinc/57/23/07/1304572307.db2.gz CQQQHRRQVFFYNJ-UHFFFAOYSA-N 2 1 340.309 3.396 20 0 EGADMP CCCCC[C@@](C)(CC)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000780690288 1304725681 /nfs/dbraw/zinc/72/56/81/1304725681.db2.gz IZHMNAYEUJQZEJ-HXUWFJFHSA-N 2 1 339.568 3.467 20 0 EGADMP CCCCC[C@@](C)(CC)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000780690288 1304725685 /nfs/dbraw/zinc/72/56/85/1304725685.db2.gz IZHMNAYEUJQZEJ-HXUWFJFHSA-N 2 1 339.568 3.467 20 0 EGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)C1CC1 ZINC000788242237 1305904315 /nfs/dbraw/zinc/90/43/15/1305904315.db2.gz BBJASKLYYOMSGM-BRWVUGGUSA-N 2 1 339.524 3.142 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000894190693 1306267829 /nfs/dbraw/zinc/26/78/29/1306267829.db2.gz VHPUDZUONCFNKM-OAHLLOKOSA-N 2 1 343.471 3.084 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000894190693 1306267839 /nfs/dbraw/zinc/26/78/39/1306267839.db2.gz VHPUDZUONCFNKM-OAHLLOKOSA-N 2 1 343.471 3.084 20 0 EGADMP COC(=O)c1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1C ZINC000894230771 1306290831 /nfs/dbraw/zinc/29/08/31/1306290831.db2.gz IRALSFWHBSKIKC-UHFFFAOYSA-N 2 1 330.472 3.089 20 0 EGADMP Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793553527 1309403066 /nfs/dbraw/zinc/40/30/66/1309403066.db2.gz NIBMQHJQABAOGR-ZIFCJYIRSA-N 2 1 326.488 3.290 20 0 EGADMP Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793553527 1309403069 /nfs/dbraw/zinc/40/30/69/1309403069.db2.gz NIBMQHJQABAOGR-ZIFCJYIRSA-N 2 1 326.488 3.290 20 0 EGADMP CCC1([NH+]2CCC2)CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000895822164 1309535664 /nfs/dbraw/zinc/53/56/64/1309535664.db2.gz LZPIEPYNSSTUJO-UHFFFAOYSA-N 2 1 330.501 3.384 20 0 EGADMP CC[NH+](CC)CCOc1ccc(-c2noc(C3([NH+](C)C)CC3)n2)cc1 ZINC000895984943 1309629203 /nfs/dbraw/zinc/62/92/03/1309629203.db2.gz CYEURDYEXPGHPS-UHFFFAOYSA-N 2 1 344.459 3.008 20 0 EGADMP CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000796157962 1309923391 /nfs/dbraw/zinc/92/33/91/1309923391.db2.gz NAQDWGJSJUJBQS-SFHVURJKSA-N 2 1 339.524 3.243 20 0 EGADMP CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000796157962 1309923397 /nfs/dbraw/zinc/92/33/97/1309923397.db2.gz NAQDWGJSJUJBQS-SFHVURJKSA-N 2 1 339.524 3.243 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(OC)c(Cl)c2)CC1 ZINC000796703931 1310066778 /nfs/dbraw/zinc/06/67/78/1310066778.db2.gz LHVAENKZJHREQO-AWEZNQCLSA-N 2 1 340.895 3.418 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000797115144 1310143260 /nfs/dbraw/zinc/14/32/60/1310143260.db2.gz MTZFYJDXGXVMBV-XHSDSOJGSA-N 2 1 327.513 3.142 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000797115144 1310143265 /nfs/dbraw/zinc/14/32/65/1310143265.db2.gz MTZFYJDXGXVMBV-XHSDSOJGSA-N 2 1 327.513 3.142 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000797115142 1310142877 /nfs/dbraw/zinc/14/28/77/1310142877.db2.gz MTZFYJDXGXVMBV-PMPSAXMXSA-N 2 1 327.513 3.142 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000797115142 1310142885 /nfs/dbraw/zinc/14/28/85/1310142885.db2.gz MTZFYJDXGXVMBV-PMPSAXMXSA-N 2 1 327.513 3.142 20 0 EGADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179096 1310500375 /nfs/dbraw/zinc/50/03/75/1310500375.db2.gz CNCYGSMPFYHAGZ-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP c1ccc([C@@H]2CC[NH+](CCC[N@H+]3CC[C@@H](c4ccccn4)C3)C2)nc1 ZINC000799189999 1310502481 /nfs/dbraw/zinc/50/24/81/1310502481.db2.gz IGTMSURAIPAPRV-RTBURBONSA-N 2 1 336.483 3.146 20 0 EGADMP CC[NH+](CC)CCCOC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000800166911 1310688981 /nfs/dbraw/zinc/68/89/81/1310688981.db2.gz YYAMOYLWQNQWNC-IBGZPJMESA-N 2 1 332.488 3.174 20 0 EGADMP CC[C@@H](C)[NH+]1CCN(C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000857281324 1328525964 /nfs/dbraw/zinc/52/59/64/1328525964.db2.gz XQTAHXDHYGWOEI-XLIONFOSSA-N 2 1 343.515 3.052 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccccc1Cl ZINC001019259365 1317132358 /nfs/dbraw/zinc/13/23/58/1317132358.db2.gz DTCSMWHKDSWEPV-MPGHIAIKSA-N 2 1 349.906 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001019274800 1317141093 /nfs/dbraw/zinc/14/10/93/1317141093.db2.gz POZYKSXBHFMEKN-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CC(CC)CC)CC1 ZINC000957284540 1317260085 /nfs/dbraw/zinc/26/00/85/1317260085.db2.gz WEUGBXCLFQKYFG-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)C[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000957561589 1317458989 /nfs/dbraw/zinc/45/89/89/1317458989.db2.gz VSUYOQXXLUXKIT-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000858167571 1328702036 /nfs/dbraw/zinc/70/20/36/1328702036.db2.gz VALGMKRWEKNFOL-RDJZCZTQSA-N 2 1 344.503 3.130 20 0 EGADMP CC(C)(O)C[N@H+]1CCc2c(cccc2N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902373251 1317569444 /nfs/dbraw/zinc/56/94/44/1317569444.db2.gz BOTPWNPLCMEOGD-QGZVFWFLSA-N 2 1 345.531 3.006 20 0 EGADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)C1 ZINC000902396215 1317572349 /nfs/dbraw/zinc/57/23/49/1317572349.db2.gz JCQVTEHCNSXTNG-LSDHHAIUSA-N 2 1 330.394 3.107 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001020237869 1317604113 /nfs/dbraw/zinc/60/41/13/1317604113.db2.gz GQDPLBFZWILYND-VAMGGRTRSA-N 2 1 349.563 3.172 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC001020302735 1317635952 /nfs/dbraw/zinc/63/59/52/1317635952.db2.gz QSPYOKIMTBKVPB-SOAMZJECSA-N 2 1 343.515 3.086 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCN(C(=O)CC[NH+]3CCCCC3)CC2)c1 ZINC000957774173 1317637139 /nfs/dbraw/zinc/63/71/39/1317637139.db2.gz NCXKLHRSBFOMRY-IBGZPJMESA-N 2 1 343.515 3.076 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[NH+]1CCCC1 ZINC000957782700 1317644141 /nfs/dbraw/zinc/64/41/41/1317644141.db2.gz PLGIZHCGLSBNAA-QUCCMNQESA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[NH+](CC2=CCCCC2)CC1)[NH+]1CCCCC1 ZINC000957786259 1317645109 /nfs/dbraw/zinc/64/51/09/1317645109.db2.gz CALALPDREOALBU-FQEVSTJZSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)CC1(C)CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000808231293 1317647188 /nfs/dbraw/zinc/64/71/88/1317647188.db2.gz CRGOCMKTZDKNHK-FQEVSTJZSA-N 2 1 349.519 3.009 20 0 EGADMP CC[NH+](CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccco1 ZINC000903083394 1317649508 /nfs/dbraw/zinc/64/95/08/1317649508.db2.gz GJSBWMZRRDGRSE-ZCTYVAAUSA-N 2 1 331.504 3.410 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c(C)c1 ZINC000903116008 1317656230 /nfs/dbraw/zinc/65/62/30/1317656230.db2.gz PVULJSQJRLDHIW-IWUPYOBGSA-N 2 1 346.515 3.134 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C1CCC(C3CCC3)CC1)C2 ZINC000903112442 1317656314 /nfs/dbraw/zinc/65/63/14/1317656314.db2.gz NDVTXJDSGHWBHZ-LOESLIKQSA-N 2 1 334.548 3.415 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)cnc1Cl ZINC000808443105 1317678235 /nfs/dbraw/zinc/67/82/35/1317678235.db2.gz SQUZQNMSDKOMBK-UHFFFAOYSA-N 2 1 348.878 3.059 20 0 EGADMP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903735423 1317728209 /nfs/dbraw/zinc/72/82/09/1317728209.db2.gz ZUIKXTLTQZBGEH-RLLQIKCJSA-N 2 1 328.500 3.098 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001020500163 1317730924 /nfs/dbraw/zinc/73/09/24/1317730924.db2.gz PGRNNJFGXRZFMV-UFYCRDLUSA-N 2 1 347.547 3.236 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903756815 1317731315 /nfs/dbraw/zinc/73/13/15/1317731315.db2.gz WEUIJQZJEZQRAJ-MEZWHVQBSA-N 2 1 344.499 3.237 20 0 EGADMP CC(C)CCc1noc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)n1 ZINC000903794371 1317736935 /nfs/dbraw/zinc/73/69/35/1317736935.db2.gz SCBMNZKGOIUOCW-UHFFFAOYSA-N 2 1 342.487 3.151 20 0 EGADMP [NH3+][C@H](CC(F)F)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000903876751 1317740859 /nfs/dbraw/zinc/74/08/59/1317740859.db2.gz HXEDOKNLASZZBI-CYBMUJFWSA-N 2 1 326.387 3.142 20 0 EGADMP [NH3+][C@H](CC(F)F)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000903876751 1317740863 /nfs/dbraw/zinc/74/08/63/1317740863.db2.gz HXEDOKNLASZZBI-CYBMUJFWSA-N 2 1 326.387 3.142 20 0 EGADMP OC[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000903906183 1317746507 /nfs/dbraw/zinc/74/65/07/1317746507.db2.gz UBKIHNOCUYYXFU-QFIPXVFZSA-N 2 1 336.479 3.105 20 0 EGADMP CC(C)([NH3+])c1ccc(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000904602099 1317867426 /nfs/dbraw/zinc/86/74/26/1317867426.db2.gz KXECDQYTNPTMQB-IAGOWNOFSA-N 2 1 330.476 3.019 20 0 EGADMP C[C@@H](CCNC(=O)Nc1ccccc1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000904653423 1317876678 /nfs/dbraw/zinc/87/66/78/1317876678.db2.gz ZJKMFPYZWLYPNE-INIZCTEOSA-N 2 1 340.471 3.177 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(N3CCCC3)nc2)cc1 ZINC000809738724 1317884466 /nfs/dbraw/zinc/88/44/66/1317884466.db2.gz GTISPRISPPHNIN-UHFFFAOYSA-N 2 1 338.499 3.375 20 0 EGADMP CC[C@H](C)[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C(=O)OC ZINC000905758217 1317991703 /nfs/dbraw/zinc/99/17/03/1317991703.db2.gz WGCAJUBJSXVERZ-YOEHRIQHSA-N 2 1 338.517 3.137 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@@](C)(O)C(F)F)cc2)C1 ZINC000905905920 1318016468 /nfs/dbraw/zinc/01/64/68/1318016468.db2.gz HTWRNIDSJNZRIQ-RDTXWAMCSA-N 2 1 326.431 3.024 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCC2)CC1 ZINC001021426294 1318243692 /nfs/dbraw/zinc/24/36/92/1318243692.db2.gz JVZVYMZIWGWSDK-IHWFROFDSA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+](C)Cc1cc(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)ccc1Cl ZINC000907966583 1318286341 /nfs/dbraw/zinc/28/63/41/1318286341.db2.gz DWBSPNWZDSUXJI-DOTOQJQBSA-N 2 1 335.879 3.357 20 0 EGADMP C[NH+](C)Cc1cc(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)ccc1Cl ZINC000907966583 1318286347 /nfs/dbraw/zinc/28/63/47/1318286347.db2.gz DWBSPNWZDSUXJI-DOTOQJQBSA-N 2 1 335.879 3.357 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H]2C[N@H+](C(C)C)CC[C@H]21 ZINC001021682934 1318554650 /nfs/dbraw/zinc/55/46/50/1318554650.db2.gz VKMMIUDWXNCTHM-ZWKOTPCHSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H]2C[N@@H+](C(C)C)CC[C@H]21 ZINC001021682934 1318554659 /nfs/dbraw/zinc/55/46/59/1318554659.db2.gz VKMMIUDWXNCTHM-ZWKOTPCHSA-N 2 1 346.519 3.118 20 0 EGADMP CC[N@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000910279322 1318593927 /nfs/dbraw/zinc/59/39/27/1318593927.db2.gz JWMNZXLOBJINBM-GOSISDBHSA-N 2 1 343.515 3.229 20 0 EGADMP C[N@@H+](C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C)CC1CCCCC1 ZINC000960686934 1318792770 /nfs/dbraw/zinc/79/27/70/1318792770.db2.gz ZEGAHXSODIGIEF-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C)CC1CCCCC1 ZINC000960686934 1318792775 /nfs/dbraw/zinc/79/27/75/1318792775.db2.gz ZEGAHXSODIGIEF-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C)CC1CCCCC1 ZINC000960686934 1318792781 /nfs/dbraw/zinc/79/27/81/1318792781.db2.gz ZEGAHXSODIGIEF-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001022165244 1318826025 /nfs/dbraw/zinc/82/60/25/1318826025.db2.gz XBTHJRUZOUJWEE-CEXWTWQISA-N 2 1 347.547 3.068 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001022290153 1318880907 /nfs/dbraw/zinc/88/09/07/1318880907.db2.gz HBWJHZAXIJCZJQ-VIBAHUMZSA-N 2 1 349.906 3.122 20 0 EGADMP CCOCCOCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000930137663 1328795460 /nfs/dbraw/zinc/79/54/60/1328795460.db2.gz JGQFHFORAKBSJG-UHFFFAOYSA-N 2 1 346.515 3.028 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000960835654 1318965178 /nfs/dbraw/zinc/96/51/78/1318965178.db2.gz RHCAQXNTEPEIHN-OALUTQOASA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000960835654 1318965195 /nfs/dbraw/zinc/96/51/95/1318965195.db2.gz RHCAQXNTEPEIHN-OALUTQOASA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000960835654 1318965212 /nfs/dbraw/zinc/96/52/12/1318965212.db2.gz RHCAQXNTEPEIHN-OALUTQOASA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)c1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001022712172 1319078957 /nfs/dbraw/zinc/07/89/57/1319078957.db2.gz LAADSQJATRMREJ-QRQLOZEOSA-N 2 1 343.515 3.031 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001022717459 1319080942 /nfs/dbraw/zinc/08/09/42/1319080942.db2.gz XJNKYZIUTJVJKL-OKZBNKHCSA-N 2 1 343.515 3.025 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001022806927 1319118720 /nfs/dbraw/zinc/11/87/20/1319118720.db2.gz DFIQHRUXKKPUPR-ZCFHBRKKSA-N 2 1 349.563 3.312 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001022838530 1319134136 /nfs/dbraw/zinc/13/41/36/1319134136.db2.gz QLXDISYNNBNROU-YRPNKDGESA-N 2 1 347.547 3.211 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961030322 1319154599 /nfs/dbraw/zinc/15/45/99/1319154599.db2.gz UPGHDDMUCXPVMZ-MOPGFXCFSA-N 2 1 343.515 3.075 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCC2)c1 ZINC000961029781 1319154710 /nfs/dbraw/zinc/15/47/10/1319154710.db2.gz YPVARBJLEMCPSH-HXUWFJFHSA-N 2 1 343.515 3.085 20 0 EGADMP CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC000961192518 1319307134 /nfs/dbraw/zinc/30/71/34/1319307134.db2.gz ZOHLDKGRUVUHDB-QZTJIDSGSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC000961192518 1319307138 /nfs/dbraw/zinc/30/71/38/1319307138.db2.gz ZOHLDKGRUVUHDB-QZTJIDSGSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC000961192518 1319307147 /nfs/dbraw/zinc/30/71/47/1319307147.db2.gz ZOHLDKGRUVUHDB-QZTJIDSGSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(N2CCOC2=O)cc1 ZINC000817891544 1319453778 /nfs/dbraw/zinc/45/37/78/1319453778.db2.gz MOPMGXRGPDYCHF-MJXNMMHHSA-N 2 1 337.423 3.439 20 0 EGADMP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000817893076 1319454003 /nfs/dbraw/zinc/45/40/03/1319454003.db2.gz DJDSFUYHNVJJJC-TYCQWZJGSA-N 2 1 342.483 3.055 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)c1c[nH+]ccc1N ZINC000817906427 1319457207 /nfs/dbraw/zinc/45/72/07/1319457207.db2.gz ZYMNKHAQNHDLJM-OTYXRUKQSA-N 2 1 326.227 3.185 20 0 EGADMP Cc1cc(Cl)nc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000817933170 1319465123 /nfs/dbraw/zinc/46/51/23/1319465123.db2.gz YYDUWDUEHRESRR-LPHOPBHVSA-N 2 1 343.858 3.389 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000817948888 1319473959 /nfs/dbraw/zinc/47/39/59/1319473959.db2.gz LZYRPGWZTHCLGW-GCJKJVERSA-N 3 1 337.511 3.188 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023365281 1319475996 /nfs/dbraw/zinc/47/59/96/1319475996.db2.gz BHNKVFGLZGMWJU-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001023365281 1319476001 /nfs/dbraw/zinc/47/60/01/1319476001.db2.gz BHNKVFGLZGMWJU-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001023365281 1319476006 /nfs/dbraw/zinc/47/60/06/1319476006.db2.gz BHNKVFGLZGMWJU-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001023367231 1319477708 /nfs/dbraw/zinc/47/77/08/1319477708.db2.gz XOVCYKUHSOVMOJ-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001023367231 1319477711 /nfs/dbraw/zinc/47/77/11/1319477711.db2.gz XOVCYKUHSOVMOJ-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001023367231 1319477714 /nfs/dbraw/zinc/47/77/14/1319477714.db2.gz XOVCYKUHSOVMOJ-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000818180112 1319512060 /nfs/dbraw/zinc/51/20/60/1319512060.db2.gz SHXKLEDVPKMOAM-OAHLLOKOSA-N 2 1 338.467 3.329 20 0 EGADMP CC(C)(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023413720 1319515670 /nfs/dbraw/zinc/51/56/70/1319515670.db2.gz ICHBOQKPFPZKPR-SJORKVTESA-N 2 1 346.519 3.025 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023413720 1319515674 /nfs/dbraw/zinc/51/56/74/1319515674.db2.gz ICHBOQKPFPZKPR-SJORKVTESA-N 2 1 346.519 3.025 20 0 EGADMP CC(C)(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023413719 1319516849 /nfs/dbraw/zinc/51/68/49/1319516849.db2.gz ICHBOQKPFPZKPR-IRXDYDNUSA-N 2 1 346.519 3.025 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023413719 1319516857 /nfs/dbraw/zinc/51/68/57/1319516857.db2.gz ICHBOQKPFPZKPR-IRXDYDNUSA-N 2 1 346.519 3.025 20 0 EGADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000818988131 1319608006 /nfs/dbraw/zinc/60/80/06/1319608006.db2.gz KXAGVVJWQIYGKA-KXBFYZLASA-N 2 1 348.487 3.422 20 0 EGADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000818988131 1319608021 /nfs/dbraw/zinc/60/80/21/1319608021.db2.gz KXAGVVJWQIYGKA-KXBFYZLASA-N 2 1 348.487 3.422 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000819151672 1319650220 /nfs/dbraw/zinc/65/02/20/1319650220.db2.gz DKHOMGKRCVUVOD-SUMWQHHRSA-N 2 1 328.859 3.080 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CCC3=CCCCC3)C2)CC1 ZINC001023573191 1319690483 /nfs/dbraw/zinc/69/04/83/1319690483.db2.gz UTFSFEUPCQPTEU-LJQANCHMSA-N 2 1 347.547 3.047 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023762553 1319908581 /nfs/dbraw/zinc/90/85/81/1319908581.db2.gz ZSHYNJRQSBTEDM-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001023762553 1319908590 /nfs/dbraw/zinc/90/85/90/1319908590.db2.gz ZSHYNJRQSBTEDM-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001023762553 1319908597 /nfs/dbraw/zinc/90/85/97/1319908597.db2.gz ZSHYNJRQSBTEDM-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820814116 1319959031 /nfs/dbraw/zinc/95/90/31/1319959031.db2.gz FSYBMTOXGWQVLT-UAZXPBDKSA-N 2 1 332.463 3.385 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000822490551 1320088124 /nfs/dbraw/zinc/08/81/24/1320088124.db2.gz WRWOVSKAYAWHRD-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)[C@H](C)C1 ZINC000822870659 1320131393 /nfs/dbraw/zinc/13/13/93/1320131393.db2.gz VJPQBTIROUDARS-KFWWJZLASA-N 2 1 337.335 3.297 20 0 EGADMP CC[NH+]1CCC([N@H+](C)C[C@H](CNC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000823394778 1320174970 /nfs/dbraw/zinc/17/49/70/1320174970.db2.gz AKLBFJLGNYCCLM-INIZCTEOSA-N 2 1 341.540 3.199 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](CNC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000823394778 1320174972 /nfs/dbraw/zinc/17/49/72/1320174972.db2.gz AKLBFJLGNYCCLM-INIZCTEOSA-N 2 1 341.540 3.199 20 0 EGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(F)cc(F)c1 ZINC000823850391 1320211135 /nfs/dbraw/zinc/21/11/35/1320211135.db2.gz BGKYYLACUMMPHP-IFXJQAMLSA-N 2 1 338.442 3.301 20 0 EGADMP C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824119354 1320230230 /nfs/dbraw/zinc/23/02/30/1320230230.db2.gz HHDFPJQWRLEURK-QFBILLFUSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824119354 1320230235 /nfs/dbraw/zinc/23/02/35/1320230235.db2.gz HHDFPJQWRLEURK-QFBILLFUSA-N 2 1 338.499 3.298 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000825331928 1320328336 /nfs/dbraw/zinc/32/83/36/1320328336.db2.gz NUVXPXLWNJVEPQ-HUUCEWRRSA-N 2 1 346.462 3.208 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000825331928 1320328339 /nfs/dbraw/zinc/32/83/39/1320328339.db2.gz NUVXPXLWNJVEPQ-HUUCEWRRSA-N 2 1 346.462 3.208 20 0 EGADMP c1cc(N2CCCCC2)ccc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000838909761 1320832889 /nfs/dbraw/zinc/83/28/89/1320832889.db2.gz WJUUTSJLCITGOP-UHFFFAOYSA-N 2 1 327.516 3.436 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000839180458 1320886608 /nfs/dbraw/zinc/88/66/08/1320886608.db2.gz DEWUZVSQJUQNBI-SJORKVTESA-N 2 1 329.488 3.196 20 0 EGADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)ccc1OC(=O)CC ZINC000840886804 1321171203 /nfs/dbraw/zinc/17/12/03/1321171203.db2.gz AAKKOUUJBBKRPY-QGZVFWFLSA-N 2 1 348.487 3.221 20 0 EGADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccc1OC(=O)CC ZINC000840886804 1321171205 /nfs/dbraw/zinc/17/12/05/1321171205.db2.gz AAKKOUUJBBKRPY-QGZVFWFLSA-N 2 1 348.487 3.221 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@H](C)C[NH3+] ZINC000841049515 1321209112 /nfs/dbraw/zinc/20/91/12/1321209112.db2.gz SWUGIVNRBRKEHW-LLVKDONJSA-N 2 1 341.286 3.231 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+][C@@H](C)CC[NH3+] ZINC000841050825 1321209674 /nfs/dbraw/zinc/20/96/74/1321209674.db2.gz LFJVSTAYMFSQPD-NSHDSACASA-N 2 1 341.286 3.374 20 0 EGADMP COc1ccc(COCC[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000859213924 1328947784 /nfs/dbraw/zinc/94/77/84/1328947784.db2.gz BVYHSXBYZYGKOR-UHFFFAOYSA-N 2 1 342.483 3.405 20 0 EGADMP C[N@@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000841690461 1321298212 /nfs/dbraw/zinc/29/82/12/1321298212.db2.gz VUXFRRBUJUCUAJ-ZWOKBUDYSA-N 2 1 349.519 3.007 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)c2ccc(F)c(F)c2)cc1 ZINC000859214582 1328948340 /nfs/dbraw/zinc/94/83/40/1328948340.db2.gz PLKDFAMLOIOBOA-LJQANCHMSA-N 2 1 334.410 3.192 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC000842694834 1321420489 /nfs/dbraw/zinc/42/04/89/1321420489.db2.gz RVPHUOWWGROKJL-QGZVFWFLSA-N 2 1 344.503 3.446 20 0 EGADMP CC(C)n1ncc2cc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)c(Cl)nc21 ZINC000843120194 1321473575 /nfs/dbraw/zinc/47/35/75/1321473575.db2.gz QVOZBDRVQRGURU-UHFFFAOYSA-N 2 1 347.894 3.241 20 0 EGADMP C[N@@H+](Cc1cncc(OCc2ccccc2)c1)C1CCC([NH3+])CC1 ZINC000843355235 1321504857 /nfs/dbraw/zinc/50/48/57/1321504857.db2.gz NQJYDHGBFRMVLW-UHFFFAOYSA-N 2 1 325.456 3.362 20 0 EGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000845942727 1321756743 /nfs/dbraw/zinc/75/67/43/1321756743.db2.gz RPQNAWPDJRECTP-RTBURBONSA-N 2 1 326.488 3.452 20 0 EGADMP CN(Cc1ccc2nonc2c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000846807846 1321810165 /nfs/dbraw/zinc/81/01/65/1321810165.db2.gz DUYJBAUXBFDDGT-SFHVURJKSA-N 2 1 336.439 3.177 20 0 EGADMP C[NH+](Cc1ccc2nonc2c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000846807846 1321810177 /nfs/dbraw/zinc/81/01/77/1321810177.db2.gz DUYJBAUXBFDDGT-SFHVURJKSA-N 2 1 336.439 3.177 20 0 EGADMP C[NH+](Cc1ccc2nonc2c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000846807846 1321810181 /nfs/dbraw/zinc/81/01/81/1321810181.db2.gz DUYJBAUXBFDDGT-SFHVURJKSA-N 2 1 336.439 3.177 20 0 EGADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000848531282 1321970762 /nfs/dbraw/zinc/97/07/62/1321970762.db2.gz NKVUCOIPWBQPRX-DQVLVPHSSA-N 3 1 349.563 3.017 20 0 EGADMP CC[C@@H](CNC(=[NH2+])N1CCC[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000849063100 1322062831 /nfs/dbraw/zinc/06/28/31/1322062831.db2.gz WPFRRNUKYRZFQD-LPHOPBHVSA-N 2 1 328.504 3.080 20 0 EGADMP CC[C@@H](CNC(=[NH2+])N1CCC[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000849063100 1322062837 /nfs/dbraw/zinc/06/28/37/1322062837.db2.gz WPFRRNUKYRZFQD-LPHOPBHVSA-N 2 1 328.504 3.080 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(Cl)cccc1Cl ZINC000849062929 1322063120 /nfs/dbraw/zinc/06/31/20/1322063120.db2.gz FRGDSXKJMLLDRR-LLVKDONJSA-N 2 1 329.275 3.092 20 0 EGADMP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000849063918 1322064323 /nfs/dbraw/zinc/06/43/23/1322064323.db2.gz UWPPKJYVPIGURY-MJGOQNOKSA-N 2 1 328.504 3.155 20 0 EGADMP [NH2+]=C(NCCc1ccccc1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000849105853 1322080131 /nfs/dbraw/zinc/08/01/31/1322080131.db2.gz FXQRMLWPPVWSOA-IBGZPJMESA-N 2 1 328.504 3.140 20 0 EGADMP COc1cncc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000850227094 1322210112 /nfs/dbraw/zinc/21/01/12/1322210112.db2.gz WRZJBMXKPZKWFU-PKOBYXMFSA-N 2 1 339.483 3.481 20 0 EGADMP FC(F)Sc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000850396857 1322238521 /nfs/dbraw/zinc/23/85/21/1322238521.db2.gz QBJLQAHCHMYMFU-HNNXBMFYSA-N 2 1 342.455 3.344 20 0 EGADMP COC(=O)[C@H](C)Oc1ccccc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000921493728 1322329037 /nfs/dbraw/zinc/32/90/37/1322329037.db2.gz VFQDISDLGHPSGT-AWEZNQCLSA-N 2 1 348.487 3.026 20 0 EGADMP CN(C)C(=O)c1cccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC000921501610 1322330411 /nfs/dbraw/zinc/33/04/11/1322330411.db2.gz LIZNHIBJCDVUJR-UHFFFAOYSA-N 2 1 331.504 3.133 20 0 EGADMP CN(C)C(=O)c1cccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c1 ZINC000921501610 1322330419 /nfs/dbraw/zinc/33/04/19/1322330419.db2.gz LIZNHIBJCDVUJR-UHFFFAOYSA-N 2 1 331.504 3.133 20 0 EGADMP CS[C@H]1CCC[C@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1 ZINC000921817516 1322404371 /nfs/dbraw/zinc/40/43/71/1322404371.db2.gz KFAHOLPBKIRNOZ-IRXDYDNUSA-N 2 1 334.533 3.326 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000922180666 1322473523 /nfs/dbraw/zinc/47/35/23/1322473523.db2.gz FDXJXHPWQYPIJR-ZACQAIPSSA-N 2 1 339.524 3.001 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[NH+](C)CC3)cc1 ZINC000923293987 1322727115 /nfs/dbraw/zinc/72/71/15/1322727115.db2.gz BQULBCSTUDADQF-UXHICEINSA-N 2 1 343.515 3.227 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cc1 ZINC000923293987 1322727117 /nfs/dbraw/zinc/72/71/17/1322727117.db2.gz BQULBCSTUDADQF-UXHICEINSA-N 2 1 343.515 3.227 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)cc1 ZINC000923293987 1322727122 /nfs/dbraw/zinc/72/71/22/1322727122.db2.gz BQULBCSTUDADQF-UXHICEINSA-N 2 1 343.515 3.227 20 0 EGADMP CC(C)c1nc([C@H]2CCC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)no1 ZINC000923369792 1322741882 /nfs/dbraw/zinc/74/18/82/1322741882.db2.gz OQLHPLNUZKZYOI-YNBOMUFVSA-N 2 1 332.492 3.293 20 0 EGADMP C[C@]1(Cc2ccc(Cl)s2)CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923524951 1322769407 /nfs/dbraw/zinc/76/94/07/1322769407.db2.gz BANZDYWERLLRBJ-CZUORRHYSA-N 2 1 340.920 3.177 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001023892189 1323008425 /nfs/dbraw/zinc/00/84/25/1323008425.db2.gz XXKXUCLMSGAZQC-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024040385 1323090850 /nfs/dbraw/zinc/09/08/50/1323090850.db2.gz HEVQWFMOUPNNGT-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2COC(C)(C)O2)CCN1Cc1ccccc1 ZINC000851803913 1323092223 /nfs/dbraw/zinc/09/22/23/1323092223.db2.gz WPNVXHMPNSQXDX-BHIYHBOVSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@H](N(C)C[C@@H]2COC(C)(C)O2)CC[N@@H+]1Cc1ccccc1 ZINC000851803913 1323092229 /nfs/dbraw/zinc/09/22/29/1323092229.db2.gz WPNVXHMPNSQXDX-BHIYHBOVSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@H](N(C)C[C@@H]2COC(C)(C)O2)CC[N@H+]1Cc1ccccc1 ZINC000851803913 1323092233 /nfs/dbraw/zinc/09/22/33/1323092233.db2.gz WPNVXHMPNSQXDX-BHIYHBOVSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2COC(C)(C)O2)CC[N@@H+]1Cc1ccccc1 ZINC000851803913 1323092242 /nfs/dbraw/zinc/09/22/42/1323092242.db2.gz WPNVXHMPNSQXDX-BHIYHBOVSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2COC(C)(C)O2)CC[N@H+]1Cc1ccccc1 ZINC000851803913 1323092249 /nfs/dbraw/zinc/09/22/49/1323092249.db2.gz WPNVXHMPNSQXDX-BHIYHBOVSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2COC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000851803913 1323092256 /nfs/dbraw/zinc/09/22/56/1323092256.db2.gz WPNVXHMPNSQXDX-BHIYHBOVSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2COC(C)(C)O2)CC[NH+]1Cc1ccccc1 ZINC000851803913 1323092263 /nfs/dbraw/zinc/09/22/63/1323092263.db2.gz WPNVXHMPNSQXDX-BHIYHBOVSA-N 2 1 332.488 3.123 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001024045544 1323096060 /nfs/dbraw/zinc/09/60/60/1323096060.db2.gz KLXMAVZOJBCIET-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP CC1(C)OC[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)O1 ZINC000851812390 1323097674 /nfs/dbraw/zinc/09/76/74/1323097674.db2.gz DLOAPWVHBQYRAF-UFYCRDLUSA-N 2 1 344.499 3.124 20 0 EGADMP CC1(C)OC[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)O1 ZINC000851812390 1323097682 /nfs/dbraw/zinc/09/76/82/1323097682.db2.gz DLOAPWVHBQYRAF-UFYCRDLUSA-N 2 1 344.499 3.124 20 0 EGADMP CC1(C)OC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)O1 ZINC000851812390 1323097689 /nfs/dbraw/zinc/09/76/89/1323097689.db2.gz DLOAPWVHBQYRAF-UFYCRDLUSA-N 2 1 344.499 3.124 20 0 EGADMP CC1(C)OC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)O1 ZINC000851812390 1323097699 /nfs/dbraw/zinc/09/76/99/1323097699.db2.gz DLOAPWVHBQYRAF-UFYCRDLUSA-N 2 1 344.499 3.124 20 0 EGADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc(-c2ccccc2)no1 ZINC000924658757 1323099035 /nfs/dbraw/zinc/09/90/35/1323099035.db2.gz MOTNRNCCTGYGIC-KRWDZBQOSA-N 2 1 342.487 3.020 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000924684314 1323112876 /nfs/dbraw/zinc/11/28/76/1323112876.db2.gz DQUWGPUVHDKSRE-RLLQIKCJSA-N 2 1 332.536 3.376 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cnnn1C ZINC000924695807 1323117442 /nfs/dbraw/zinc/11/74/42/1323117442.db2.gz SYIHJKGSDLWGFR-BBWFWOEESA-N 2 1 341.503 3.144 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnnn1C ZINC000924695807 1323117446 /nfs/dbraw/zinc/11/74/46/1323117446.db2.gz SYIHJKGSDLWGFR-BBWFWOEESA-N 2 1 341.503 3.144 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(Br)n2)C1 ZINC000924753448 1323145292 /nfs/dbraw/zinc/14/52/92/1323145292.db2.gz PPULUGHYLWKEPG-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(Br)n2)C1 ZINC000924753448 1323145295 /nfs/dbraw/zinc/14/52/95/1323145295.db2.gz PPULUGHYLWKEPG-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP CCN(CC)C(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924789737 1323164660 /nfs/dbraw/zinc/16/46/60/1323164660.db2.gz ZQUJDBYZJCXCHP-IHWFROFDSA-N 2 1 343.515 3.030 20 0 EGADMP CCN(CC)C(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924789737 1323164667 /nfs/dbraw/zinc/16/46/67/1323164667.db2.gz ZQUJDBYZJCXCHP-IHWFROFDSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001024186242 1323197678 /nfs/dbraw/zinc/19/76/78/1323197678.db2.gz NTPALXLTPWHDDY-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc3c2OCO3)[C@@H](C)C1 ZINC000925077388 1323267513 /nfs/dbraw/zinc/26/75/13/1323267513.db2.gz GZBDCHFXBVRKRI-JZXOWHBKSA-N 2 1 348.487 3.203 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc3c2OCO3)[C@@H](C)C1 ZINC000925077388 1323267519 /nfs/dbraw/zinc/26/75/19/1323267519.db2.gz GZBDCHFXBVRKRI-JZXOWHBKSA-N 2 1 348.487 3.203 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC2CCCCC2)CC[N@H+]1C ZINC001024448812 1323407155 /nfs/dbraw/zinc/40/71/55/1323407155.db2.gz ZDEYUXBETOVKEZ-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC2CCCCC2)CC[NH+]1C ZINC001024448812 1323407160 /nfs/dbraw/zinc/40/71/60/1323407160.db2.gz ZDEYUXBETOVKEZ-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CC2CCCCC2)CC[NH+]1C ZINC001024448812 1323407168 /nfs/dbraw/zinc/40/71/68/1323407168.db2.gz ZDEYUXBETOVKEZ-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024469575 1323424250 /nfs/dbraw/zinc/42/42/50/1323424250.db2.gz TUPZPCLUVPDSEO-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC001024469575 1323424255 /nfs/dbraw/zinc/42/42/55/1323424255.db2.gz TUPZPCLUVPDSEO-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCC1CCC1 ZINC001024469575 1323424259 /nfs/dbraw/zinc/42/42/59/1323424259.db2.gz TUPZPCLUVPDSEO-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024469574 1323425175 /nfs/dbraw/zinc/42/51/75/1323425175.db2.gz TUPZPCLUVPDSEO-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC001024469574 1323425176 /nfs/dbraw/zinc/42/51/76/1323425176.db2.gz TUPZPCLUVPDSEO-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCC1CCC1 ZINC001024469574 1323425184 /nfs/dbraw/zinc/42/51/84/1323425184.db2.gz TUPZPCLUVPDSEO-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479277 1323432379 /nfs/dbraw/zinc/43/23/79/1323432379.db2.gz DJNGZOUOFUZXIC-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479277 1323432385 /nfs/dbraw/zinc/43/23/85/1323432385.db2.gz DJNGZOUOFUZXIC-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479277 1323432389 /nfs/dbraw/zinc/43/23/89/1323432389.db2.gz DJNGZOUOFUZXIC-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001024513046 1323463780 /nfs/dbraw/zinc/46/37/80/1323463780.db2.gz MJVYCKJMJSHZSD-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCCC1 ZINC001024513046 1323463783 /nfs/dbraw/zinc/46/37/83/1323463783.db2.gz MJVYCKJMJSHZSD-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCCC1 ZINC001024513046 1323463789 /nfs/dbraw/zinc/46/37/89/1323463789.db2.gz MJVYCKJMJSHZSD-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1cc(C[NH+]2CCCC[C@H]2CNC(=O)[C@H]2CCCC[N@@H+]2C)cs1 ZINC001024513489 1323464284 /nfs/dbraw/zinc/46/42/84/1323464284.db2.gz QAWYCISGWHNLKC-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)[C@H]2CCCC[NH+]2C)cs1 ZINC001024513489 1323464289 /nfs/dbraw/zinc/46/42/89/1323464289.db2.gz QAWYCISGWHNLKC-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)[C@H]2CCCC[NH+]2C)cs1 ZINC001024513489 1323464295 /nfs/dbraw/zinc/46/42/95/1323464295.db2.gz QAWYCISGWHNLKC-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024712487 1323620290 /nfs/dbraw/zinc/62/02/90/1323620290.db2.gz ZSSVWDWKXFFIRJ-HXUWFJFHSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024749764 1323652766 /nfs/dbraw/zinc/65/27/66/1323652766.db2.gz FNVXTMDKCGBZSD-FQEVSTJZSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001024979210 1323810889 /nfs/dbraw/zinc/81/08/89/1323810889.db2.gz OHTFGSLUSMFLDC-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001024979155 1323811432 /nfs/dbraw/zinc/81/14/32/1323811432.db2.gz MOXWZCLMCKXQEH-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001025002330 1323820019 /nfs/dbraw/zinc/82/00/19/1323820019.db2.gz BQJINEJFRCJSHA-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001025002331 1323820906 /nfs/dbraw/zinc/82/09/06/1323820906.db2.gz BQJINEJFRCJSHA-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCC2)C1 ZINC001025056153 1323859814 /nfs/dbraw/zinc/85/98/14/1323859814.db2.gz BDODJNMEUSHOHK-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCCC[C@H]1C[NH2+]CC1CC1 ZINC001025056427 1323860593 /nfs/dbraw/zinc/86/05/93/1323860593.db2.gz OFMJXPRLNSEHOG-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(Cc3coc(-c4ccc(F)c(F)c4)n3)C[C@@H]2C1 ZINC000931440039 1329118202 /nfs/dbraw/zinc/11/82/02/1329118202.db2.gz SNXPSVJXXCUFDR-KGLIPLIRSA-N 2 1 333.382 3.003 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3coc(-c4ccc(F)c(F)c4)n3)C[C@@H]2C1 ZINC000931440039 1329118204 /nfs/dbraw/zinc/11/82/04/1329118204.db2.gz SNXPSVJXXCUFDR-KGLIPLIRSA-N 2 1 333.382 3.003 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3coc(-c4ccc(F)c(F)c4)n3)C[C@@H]2C1 ZINC000931440039 1329118208 /nfs/dbraw/zinc/11/82/08/1329118208.db2.gz SNXPSVJXXCUFDR-KGLIPLIRSA-N 2 1 333.382 3.003 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3coc(-c4ccc(F)c(F)c4)n3)C[C@@H]2C1 ZINC000931440039 1329118212 /nfs/dbraw/zinc/11/82/12/1329118212.db2.gz SNXPSVJXXCUFDR-KGLIPLIRSA-N 2 1 333.382 3.003 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3coc(-c4ccc(F)c(F)c4)n3)C[C@@H]2C1 ZINC000931440039 1329118214 /nfs/dbraw/zinc/11/82/14/1329118214.db2.gz SNXPSVJXXCUFDR-KGLIPLIRSA-N 2 1 333.382 3.003 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CCCC[C@@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001025085833 1323885503 /nfs/dbraw/zinc/88/55/03/1323885503.db2.gz VVXPPAMCKDAFAG-LJQANCHMSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001025105503 1323897920 /nfs/dbraw/zinc/89/79/20/1323897920.db2.gz WHPAGSOWVNSMTA-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001025232888 1324020216 /nfs/dbraw/zinc/02/02/16/1324020216.db2.gz RAPPECMVEVRPAP-ZWKOTPCHSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025250728 1324052857 /nfs/dbraw/zinc/05/28/57/1324052857.db2.gz DOCKTEXFQHQMIE-RBUKOAKNSA-N 2 1 340.471 3.203 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025265009 1324076641 /nfs/dbraw/zinc/07/66/41/1324076641.db2.gz CUBYWVNLVMXXQE-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025265009 1324076649 /nfs/dbraw/zinc/07/66/49/1324076649.db2.gz CUBYWVNLVMXXQE-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001025265009 1324076653 /nfs/dbraw/zinc/07/66/53/1324076653.db2.gz CUBYWVNLVMXXQE-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025266436 1324077660 /nfs/dbraw/zinc/07/76/60/1324077660.db2.gz JREHCXOLBZEGPA-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025266436 1324077664 /nfs/dbraw/zinc/07/76/64/1324077664.db2.gz JREHCXOLBZEGPA-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001025266436 1324077670 /nfs/dbraw/zinc/07/76/70/1324077670.db2.gz JREHCXOLBZEGPA-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001025301695 1324135258 /nfs/dbraw/zinc/13/52/58/1324135258.db2.gz OKPRKJXYQDHUJX-WOJBJXKFSA-N 2 1 343.515 3.227 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N1CCCC[C@@H]1[C@H]1CCC[N@H+]1CC1CC1 ZINC001025301719 1324135368 /nfs/dbraw/zinc/13/53/68/1324135368.db2.gz OOCRCHVHGNQCCZ-WOJBJXKFSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025431604 1324268652 /nfs/dbraw/zinc/26/86/52/1324268652.db2.gz BKXUOMHSVUWKOZ-HUUCEWRRSA-N 2 1 337.533 3.048 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025484651 1324333399 /nfs/dbraw/zinc/33/33/99/1324333399.db2.gz HEPUJFNDIIDTIA-SJORKVTESA-N 2 1 342.487 3.211 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025527033 1324371076 /nfs/dbraw/zinc/37/10/76/1324371076.db2.gz DEJZFMBCXMPWME-YLJYHZDGSA-N 2 1 345.531 3.031 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001026464819 1324824855 /nfs/dbraw/zinc/82/48/55/1324824855.db2.gz XDKLPDJONSMQTD-CTWPCTMYSA-N 2 1 335.536 3.068 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001026503680 1324853617 /nfs/dbraw/zinc/85/36/17/1324853617.db2.gz GUEDSUYTJUUQPT-MHJFOBGBSA-N 2 1 349.563 3.458 20 0 EGADMP Cc1cc(C[NH2+]C2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cs1 ZINC001026515822 1324862875 /nfs/dbraw/zinc/86/28/75/1324862875.db2.gz KWEMPZHIHCTIOH-ABHNRTSZSA-N 2 1 349.544 3.058 20 0 EGADMP CC1CC(C[NH2+]C[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001026932199 1325089844 /nfs/dbraw/zinc/08/98/44/1325089844.db2.gz TUBWGMAUMGTMIZ-ADKAHSJRSA-N 2 1 349.563 3.124 20 0 EGADMP OCC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000925458940 1325160866 /nfs/dbraw/zinc/16/08/66/1325160866.db2.gz CUJRNQONBGTHMC-VTHDOGFWSA-N 2 1 328.500 3.323 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cc1 ZINC000925504181 1325181208 /nfs/dbraw/zinc/18/12/08/1325181208.db2.gz KWBJATKMAJNTDY-HBMCJLEFSA-N 2 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cc1 ZINC000925504181 1325181212 /nfs/dbraw/zinc/18/12/12/1325181212.db2.gz KWBJATKMAJNTDY-HBMCJLEFSA-N 2 1 327.516 3.019 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001027065891 1325200773 /nfs/dbraw/zinc/20/07/73/1325200773.db2.gz GMBATZDKGKRCPE-LJQANCHMSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)C1 ZINC000925588182 1325221656 /nfs/dbraw/zinc/22/16/56/1325221656.db2.gz OOYLNGOKRUWHKI-YZGWKJHDSA-N 2 1 332.536 3.089 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000854676327 1325292785 /nfs/dbraw/zinc/29/27/85/1325292785.db2.gz LCXRXPBKHFNOKB-UHFFFAOYSA-N 2 1 346.519 3.085 20 0 EGADMP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)n1 ZINC000925874083 1325338165 /nfs/dbraw/zinc/33/81/65/1325338165.db2.gz UWAPYQURTRYSKJ-XDNAFOTISA-N 2 1 340.471 3.351 20 0 EGADMP Cc1ccc(CN[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(N2CCCC2)n1 ZINC000926121100 1325436479 /nfs/dbraw/zinc/43/64/79/1325436479.db2.gz LMBFIQLIFCFFSQ-OALUTQOASA-N 2 1 328.504 3.097 20 0 EGADMP O[C@@H]1CC[C@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000926259837 1325494200 /nfs/dbraw/zinc/49/42/00/1325494200.db2.gz QKOMLESSZABDBE-XICAJGIJSA-N 2 1 328.500 3.323 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1(Br)CC1 ZINC000926325055 1325516932 /nfs/dbraw/zinc/51/69/32/1325516932.db2.gz JBLGGAVPCWAVMB-ZBFHGGJFSA-N 2 1 337.305 3.414 20 0 EGADMP COc1ccnc([C@@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000926325385 1325517395 /nfs/dbraw/zinc/51/73/95/1325517395.db2.gz LRQOYLRYKCIESO-SJLPKXTDSA-N 2 1 325.456 3.263 20 0 EGADMP CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857140679 1325579006 /nfs/dbraw/zinc/57/90/06/1325579006.db2.gz BGYRMROJVQGXSR-PMACEKPBSA-N 2 1 343.515 3.052 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCC2)C1 ZINC001027473642 1327730261 /nfs/dbraw/zinc/73/02/61/1327730261.db2.gz PQRLEJLGBIADPK-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC001027473642 1327730267 /nfs/dbraw/zinc/73/02/67/1327730267.db2.gz PQRLEJLGBIADPK-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027473642 1327730272 /nfs/dbraw/zinc/73/02/72/1327730272.db2.gz PQRLEJLGBIADPK-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027680693 1328079238 /nfs/dbraw/zinc/07/92/38/1328079238.db2.gz JCKCVQBLAALVOS-MOPGFXCFSA-N 2 1 343.515 3.075 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H]([N@@H+](C)CC3CCC3)C2)c1 ZINC001027692137 1328096425 /nfs/dbraw/zinc/09/64/25/1328096425.db2.gz BWSDBGYNGFFUNJ-FQEVSTJZSA-N 2 1 343.515 3.085 20 0 EGADMP C[N@@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027693721 1328098730 /nfs/dbraw/zinc/09/87/30/1328098730.db2.gz HUMJRHFWRCMTDH-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H]([N@@H+](C)CCC3CC3)C2)c1 ZINC001027692765 1328099275 /nfs/dbraw/zinc/09/92/75/1328099275.db2.gz OGQZTRAQWKSULG-FQEVSTJZSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027694645 1328100584 /nfs/dbraw/zinc/10/05/84/1328100584.db2.gz FETBCOXUYSWKRU-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCCCC2)C1 ZINC001027694504 1328100801 /nfs/dbraw/zinc/10/08/01/1328100801.db2.gz AQMTYJZBNKQQAR-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027694504 1328100804 /nfs/dbraw/zinc/10/08/04/1328100804.db2.gz AQMTYJZBNKQQAR-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027694504 1328100806 /nfs/dbraw/zinc/10/08/06/1328100806.db2.gz AQMTYJZBNKQQAR-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)C(C)C)C2)o1 ZINC001027699523 1328114305 /nfs/dbraw/zinc/11/43/05/1328114305.db2.gz GBGVBVNQBNCAHT-MRXNPFEDSA-N 2 1 335.492 3.066 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CCC1CC1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885416 1328354332 /nfs/dbraw/zinc/35/43/32/1328354332.db2.gz DYANVOVDUKDYKI-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CCC1CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885416 1328354340 /nfs/dbraw/zinc/35/43/40/1328354340.db2.gz DYANVOVDUKDYKI-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CCC1CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885416 1328354347 /nfs/dbraw/zinc/35/43/47/1328354347.db2.gz DYANVOVDUKDYKI-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001027919606 1328398297 /nfs/dbraw/zinc/39/82/97/1328398297.db2.gz YOLIMBFFBOWCTF-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001027919606 1328398307 /nfs/dbraw/zinc/39/83/07/1328398307.db2.gz YOLIMBFFBOWCTF-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CC2(CCC2)C1 ZINC001027919606 1328398313 /nfs/dbraw/zinc/39/83/13/1328398313.db2.gz YOLIMBFFBOWCTF-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027971572 1328443974 /nfs/dbraw/zinc/44/39/74/1328443974.db2.gz HPNWOBDHVDQQMT-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC001027971572 1328443977 /nfs/dbraw/zinc/44/39/77/1328443977.db2.gz HPNWOBDHVDQQMT-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCCC1 ZINC001027971572 1328443980 /nfs/dbraw/zinc/44/39/80/1328443980.db2.gz HPNWOBDHVDQQMT-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CC1=CCCCC1)c1ccn2c[nH+]cc2c1 ZINC001028003029 1328465003 /nfs/dbraw/zinc/46/50/03/1328465003.db2.gz KGYAPGQYXPPWFJ-SFHVURJKSA-N 2 1 338.455 3.029 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029515 1328492798 /nfs/dbraw/zinc/49/27/98/1328492798.db2.gz GKDYZSVFSSDJIN-UZLBHIALSA-N 2 1 348.450 3.290 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCC3)CC2(C)C)CC1 ZINC000941139149 1331351041 /nfs/dbraw/zinc/35/10/41/1331351041.db2.gz QNCXHNMMDHOHOR-IBGZPJMESA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557186 1331971789 /nfs/dbraw/zinc/97/17/89/1331971789.db2.gz CKKXCWUWUVRTAD-FUHWJXTLSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[N@@H+](CCC2CCCC2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943287072 1332138132 /nfs/dbraw/zinc/13/81/32/1332138132.db2.gz HSGKVDNGVMJOAH-FXAWDEMLSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000944168504 1332338984 /nfs/dbraw/zinc/33/89/84/1332338984.db2.gz IXYBWNOWALYSPU-NVXWUHKLSA-N 2 1 346.519 3.024 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000944168504 1332338986 /nfs/dbraw/zinc/33/89/86/1332338986.db2.gz IXYBWNOWALYSPU-NVXWUHKLSA-N 2 1 346.519 3.024 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586278 1332858126 /nfs/dbraw/zinc/85/81/26/1332858126.db2.gz ASKOUKNPLOIFBD-VNTMZGSJSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586278 1332858127 /nfs/dbraw/zinc/85/81/27/1332858127.db2.gz ASKOUKNPLOIFBD-VNTMZGSJSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586278 1332858128 /nfs/dbraw/zinc/85/81/28/1332858128.db2.gz ASKOUKNPLOIFBD-VNTMZGSJSA-N 2 1 349.563 3.076 20 0 EGADMP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946624010 1332864905 /nfs/dbraw/zinc/86/49/05/1332864905.db2.gz YMCOFUDMZAOZGL-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946624010 1332864910 /nfs/dbraw/zinc/86/49/10/1332864910.db2.gz YMCOFUDMZAOZGL-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946624010 1332864913 /nfs/dbraw/zinc/86/49/13/1332864913.db2.gz YMCOFUDMZAOZGL-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859445 1332918140 /nfs/dbraw/zinc/91/81/40/1332918140.db2.gz VGZZGDQWNDVDOA-VNTMZGSJSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946901922 1332928884 /nfs/dbraw/zinc/92/88/84/1332928884.db2.gz HXKRGPQIBCLMCZ-AQNXPRMDSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)[C@@H](C)C1 ZINC000947546345 1333167339 /nfs/dbraw/zinc/16/73/39/1333167339.db2.gz GHUSBNDJWHAWMN-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)[C@@H](C)C1 ZINC000947546345 1333167342 /nfs/dbraw/zinc/16/73/42/1333167342.db2.gz GHUSBNDJWHAWMN-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CCC1CCCC1 ZINC000947726606 1333242130 /nfs/dbraw/zinc/24/21/30/1333242130.db2.gz RFHFKBZQBXYMBH-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CCC1CCCC1 ZINC000947726606 1333242132 /nfs/dbraw/zinc/24/21/32/1333242132.db2.gz RFHFKBZQBXYMBH-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CCC1CCCC1 ZINC000947726606 1333242136 /nfs/dbraw/zinc/24/21/36/1333242136.db2.gz RFHFKBZQBXYMBH-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CCC(C)(C)C ZINC000947727544 1333242344 /nfs/dbraw/zinc/24/23/44/1333242344.db2.gz YXABLTAJFNQLFP-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CCC(C)(C)C ZINC000947727544 1333242346 /nfs/dbraw/zinc/24/23/46/1333242346.db2.gz YXABLTAJFNQLFP-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CCC(C)(C)C ZINC000947727544 1333242347 /nfs/dbraw/zinc/24/23/47/1333242347.db2.gz YXABLTAJFNQLFP-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947799762 1333265793 /nfs/dbraw/zinc/26/57/93/1333265793.db2.gz CORHQFOKDBZRQH-QFBILLFUSA-N 2 1 331.504 3.131 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC1CCCCCC1 ZINC000947933967 1333311350 /nfs/dbraw/zinc/31/13/50/1333311350.db2.gz ILXJKXNNJRDQNQ-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948066987 1333362246 /nfs/dbraw/zinc/36/22/46/1333362246.db2.gz SYHHBLMRBLUJDL-PKOBYXMFSA-N 2 1 343.515 3.297 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000948372625 1333498728 /nfs/dbraw/zinc/49/87/28/1333498728.db2.gz GGHHZSPLSWULRA-GOSISDBHSA-N 2 1 337.552 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000948377118 1333501907 /nfs/dbraw/zinc/50/19/07/1333501907.db2.gz HCFMDOKPNUYUCT-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000948377118 1333501910 /nfs/dbraw/zinc/50/19/10/1333501910.db2.gz HCFMDOKPNUYUCT-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000948377118 1333501913 /nfs/dbraw/zinc/50/19/13/1333501913.db2.gz HCFMDOKPNUYUCT-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000948554219 1333573440 /nfs/dbraw/zinc/57/34/40/1333573440.db2.gz SFLIIUWKLVGXIF-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC000948554219 1333573444 /nfs/dbraw/zinc/57/34/44/1333573444.db2.gz SFLIIUWKLVGXIF-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC000948554219 1333573446 /nfs/dbraw/zinc/57/34/46/1333573446.db2.gz SFLIIUWKLVGXIF-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000948634291 1333604748 /nfs/dbraw/zinc/60/47/48/1333604748.db2.gz VBSLRVXVTDCGGD-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H]2CCC[NH+](CC3CCC3)CC2)C1 ZINC000948711871 1333643668 /nfs/dbraw/zinc/64/36/68/1333643668.db2.gz VKLQBVZXILYEJW-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CC3CCC3)CC2)C1 ZINC000948711871 1333643672 /nfs/dbraw/zinc/64/36/72/1333643672.db2.gz VKLQBVZXILYEJW-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CC3CCC3)CC2)C1 ZINC000948711871 1333643675 /nfs/dbraw/zinc/64/36/75/1333643675.db2.gz VKLQBVZXILYEJW-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[NH+](CCCC2CCC2)CC1 ZINC000948760076 1333665156 /nfs/dbraw/zinc/66/51/56/1333665156.db2.gz RLGGFRUVVAWRSK-HXUWFJFHSA-N 2 1 347.547 3.118 20 0 EGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[NH+](CCCC2CCC2)CC1 ZINC000948760076 1333665160 /nfs/dbraw/zinc/66/51/60/1333665160.db2.gz RLGGFRUVVAWRSK-HXUWFJFHSA-N 2 1 347.547 3.118 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CCC[NH+](CC3CC(C)(C)C3)CC2)C1 ZINC000948767554 1333670645 /nfs/dbraw/zinc/67/06/45/1333670645.db2.gz YGBABVMJAKFWKS-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@H+](CC3CC(C)(C)C3)CC2)C1 ZINC000948767554 1333670646 /nfs/dbraw/zinc/67/06/46/1333670646.db2.gz YGBABVMJAKFWKS-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@@H+](CC3CC(C)(C)C3)CC2)C1 ZINC000948767554 1333670649 /nfs/dbraw/zinc/67/06/49/1333670649.db2.gz YGBABVMJAKFWKS-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820402 1333697701 /nfs/dbraw/zinc/69/77/01/1333697701.db2.gz HKBWTDVPMDLNNU-QGZVFWFLSA-N 2 1 334.508 3.120 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820402 1333697707 /nfs/dbraw/zinc/69/77/07/1333697707.db2.gz HKBWTDVPMDLNNU-QGZVFWFLSA-N 2 1 334.508 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948820916 1333698456 /nfs/dbraw/zinc/69/84/56/1333698456.db2.gz UYQRJUAYQLTFGW-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948820916 1333698461 /nfs/dbraw/zinc/69/84/61/1333698461.db2.gz UYQRJUAYQLTFGW-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1C[NH+](CCC2CCCC2)C1 ZINC000950707900 1334119368 /nfs/dbraw/zinc/11/93/68/1334119368.db2.gz CJZOQYGHCLYEFA-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000951103772 1334182388 /nfs/dbraw/zinc/18/23/88/1334182388.db2.gz FBWRNZQDZVIUMD-UHFFFAOYSA-N 2 1 346.519 3.121 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1C[NH+](CCC2CC2)C1 ZINC000951361386 1334230804 /nfs/dbraw/zinc/23/08/04/1334230804.db2.gz CHQBPIKEECULDR-FQEVSTJZSA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1C[NH+](CCC2CC2)C1 ZINC000951361386 1334230807 /nfs/dbraw/zinc/23/08/07/1334230807.db2.gz CHQBPIKEECULDR-FQEVSTJZSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2CCCCC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000967206245 1335676761 /nfs/dbraw/zinc/67/67/61/1335676761.db2.gz NDORFPNJWVXKED-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CC[N@@H+](CCCC2CCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000967708783 1335805182 /nfs/dbraw/zinc/80/51/82/1335805182.db2.gz VRHMVZDXZOIORJ-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC000968062188 1335850213 /nfs/dbraw/zinc/85/02/13/1335850213.db2.gz UIHVYFLPAGRGPV-NVXWUHKLSA-N 2 1 349.519 3.218 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC000968062188 1335850214 /nfs/dbraw/zinc/85/02/14/1335850214.db2.gz UIHVYFLPAGRGPV-NVXWUHKLSA-N 2 1 349.519 3.218 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1C ZINC000968377031 1335909422 /nfs/dbraw/zinc/90/94/22/1335909422.db2.gz DPDIOYZXLDUSOU-DLBZAZTESA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1C ZINC000968377031 1335909432 /nfs/dbraw/zinc/90/94/32/1335909432.db2.gz DPDIOYZXLDUSOU-DLBZAZTESA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CC3CCCC3)CC[C@@H]2C)CC1 ZINC000968492344 1335941018 /nfs/dbraw/zinc/94/10/18/1335941018.db2.gz IBPGYZUEMKIITI-PXNSSMCTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000968646201 1335995301 /nfs/dbraw/zinc/99/53/01/1335995301.db2.gz BVLLIQJZEBMDMX-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CC2(CCC2)C1 ZINC000968782736 1336048567 /nfs/dbraw/zinc/04/85/67/1336048567.db2.gz ZBWTVURKQKKCQO-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CC2(CCC2)C1 ZINC000968782736 1336048570 /nfs/dbraw/zinc/04/85/70/1336048570.db2.gz ZBWTVURKQKKCQO-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CC2(CCC2)C1 ZINC000968782736 1336048574 /nfs/dbraw/zinc/04/85/74/1336048574.db2.gz ZBWTVURKQKKCQO-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000968851437 1336067729 /nfs/dbraw/zinc/06/77/29/1336067729.db2.gz QYXVQOUPZYVBNF-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000968915296 1336087686 /nfs/dbraw/zinc/08/76/86/1336087686.db2.gz HEPGKDPACFIXQD-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCC1 ZINC000968928552 1336092700 /nfs/dbraw/zinc/09/27/00/1336092700.db2.gz NVVDWFLEDGRKLH-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCC1 ZINC000968928552 1336092705 /nfs/dbraw/zinc/09/27/05/1336092705.db2.gz NVVDWFLEDGRKLH-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCC1 ZINC000968928552 1336092710 /nfs/dbraw/zinc/09/27/10/1336092710.db2.gz NVVDWFLEDGRKLH-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000968971293 1336105050 /nfs/dbraw/zinc/10/50/50/1336105050.db2.gz XOKGBXOOCCIEHP-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CCC2CC2)C1 ZINC000968991357 1336112351 /nfs/dbraw/zinc/11/23/51/1336112351.db2.gz YIOXPBIQNYNACL-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CCC2CC2)C1 ZINC000968991357 1336112352 /nfs/dbraw/zinc/11/23/52/1336112352.db2.gz YIOXPBIQNYNACL-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CCC2CC2)C1 ZINC000968991357 1336112354 /nfs/dbraw/zinc/11/23/54/1336112354.db2.gz YIOXPBIQNYNACL-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CC2CC(C)(C)C2)CC1 ZINC000969014056 1336118477 /nfs/dbraw/zinc/11/84/77/1336118477.db2.gz OOLOXIFBYVCUGI-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969100941 1336143706 /nfs/dbraw/zinc/14/37/06/1336143706.db2.gz MESRJTMGHVADCD-HXUWFJFHSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000969109218 1336147565 /nfs/dbraw/zinc/14/75/65/1336147565.db2.gz XVDJYOBSJXINMA-FQEVSTJZSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CCC2CCCCC2)C1 ZINC000969144425 1336160968 /nfs/dbraw/zinc/16/09/68/1336160968.db2.gz LNECUOQULVGBNT-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CCC2CCCCC2)C1 ZINC000969144425 1336160970 /nfs/dbraw/zinc/16/09/70/1336160970.db2.gz LNECUOQULVGBNT-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[N@H+]2CCC2CCCCC2)C1 ZINC000969144425 1336160972 /nfs/dbraw/zinc/16/09/72/1336160972.db2.gz LNECUOQULVGBNT-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCCCC[N@H+]2CC2CC2)c1 ZINC000969153576 1336164235 /nfs/dbraw/zinc/16/42/35/1336164235.db2.gz KJTUKMWLTQSLJD-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CCC3=CCCCC3)C2)CC[N@H+]1C ZINC000969706291 1336238537 /nfs/dbraw/zinc/23/85/37/1336238537.db2.gz KNGDURBFOCKOPA-FFZOFVMBSA-N 2 1 347.547 3.044 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCCC2)C1 ZINC000969794719 1336248009 /nfs/dbraw/zinc/24/80/09/1336248009.db2.gz ZKRJOKHLWGIOJP-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005504944 1336363697 /nfs/dbraw/zinc/36/36/97/1336363697.db2.gz VSOQWVRFLNALPX-LJQANCHMSA-N 2 1 335.536 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001005871500 1336413796 /nfs/dbraw/zinc/41/37/96/1336413796.db2.gz ANMZNQZNECYDPH-FQEVSTJZSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001005998011 1336435925 /nfs/dbraw/zinc/43/59/25/1336435925.db2.gz RDKNSCKZRXIZFS-SFHVURJKSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001006083530 1336449265 /nfs/dbraw/zinc/44/92/65/1336449265.db2.gz HIVUWCYMCHCOPF-LJQANCHMSA-N 2 1 337.552 3.218 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001007648943 1336684011 /nfs/dbraw/zinc/68/40/11/1336684011.db2.gz VQCDDZKGDPDPJU-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001007648943 1336684012 /nfs/dbraw/zinc/68/40/12/1336684012.db2.gz VQCDDZKGDPDPJU-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001007648943 1336684015 /nfs/dbraw/zinc/68/40/15/1336684015.db2.gz VQCDDZKGDPDPJU-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008053488 1336759903 /nfs/dbraw/zinc/75/99/03/1336759903.db2.gz USQFUVSVGZJFGC-HKUYNNGSSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1)[NH+]1CCCC1 ZINC001008166037 1336783074 /nfs/dbraw/zinc/78/30/74/1336783074.db2.gz YBNSNDIZBCJRSR-SFHVURJKSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc(F)ccc2Br)CCC[C@H]1C[NH3+] ZINC001205994415 1370932963 /nfs/dbraw/zinc/93/29/63/1370932963.db2.gz LMIJDURXCWBAJK-RYUDHWBXSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)nc2Cl)CCC[C@@H]1C[NH3+] ZINC001206004138 1370935433 /nfs/dbraw/zinc/93/54/33/1370935433.db2.gz QQKCRPHNLNAYRE-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008540664 1336877991 /nfs/dbraw/zinc/87/79/91/1336877991.db2.gz OPGWEMHSDAXPNS-FQEVSTJZSA-N 2 1 345.531 3.031 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CCC3CCCCC3)C2)C1 ZINC001008551353 1336879802 /nfs/dbraw/zinc/87/98/02/1336879802.db2.gz OYINZDSLGDDLEW-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCC3CCCCC3)C2)C1 ZINC001008551353 1336879804 /nfs/dbraw/zinc/87/98/04/1336879804.db2.gz OYINZDSLGDDLEW-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001008551353 1336879806 /nfs/dbraw/zinc/87/98/06/1336879806.db2.gz OYINZDSLGDDLEW-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001009164942 1336979733 /nfs/dbraw/zinc/97/97/33/1336979733.db2.gz BHASCLSPEJPMBM-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001009164942 1336979737 /nfs/dbraw/zinc/97/97/37/1336979737.db2.gz BHASCLSPEJPMBM-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001009164942 1336979741 /nfs/dbraw/zinc/97/97/41/1336979741.db2.gz BHASCLSPEJPMBM-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCC2)C1 ZINC001009170210 1336980683 /nfs/dbraw/zinc/98/06/83/1336980683.db2.gz RCKWBUMIFSBDMD-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001009170210 1336980686 /nfs/dbraw/zinc/98/06/86/1336980686.db2.gz RCKWBUMIFSBDMD-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001009170210 1336980690 /nfs/dbraw/zinc/98/06/90/1336980690.db2.gz RCKWBUMIFSBDMD-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC2)C1 ZINC001009170212 1336980824 /nfs/dbraw/zinc/98/08/24/1336980824.db2.gz RCKWBUMIFSBDMD-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001009170212 1336980825 /nfs/dbraw/zinc/98/08/25/1336980825.db2.gz RCKWBUMIFSBDMD-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001009170212 1336980827 /nfs/dbraw/zinc/98/08/27/1336980827.db2.gz RCKWBUMIFSBDMD-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001009524943 1337033018 /nfs/dbraw/zinc/03/30/18/1337033018.db2.gz RKFZXEBOSRIXSW-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001009524943 1337033021 /nfs/dbraw/zinc/03/30/21/1337033021.db2.gz RKFZXEBOSRIXSW-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001009631352 1337049774 /nfs/dbraw/zinc/04/97/74/1337049774.db2.gz AZRXDDMSSQPRNO-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001009631352 1337049779 /nfs/dbraw/zinc/04/97/79/1337049779.db2.gz AZRXDDMSSQPRNO-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001009631352 1337049781 /nfs/dbraw/zinc/04/97/81/1337049781.db2.gz AZRXDDMSSQPRNO-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001009639626 1337050916 /nfs/dbraw/zinc/05/09/16/1337050916.db2.gz YSPWGKBEXWIJAU-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001009639626 1337050919 /nfs/dbraw/zinc/05/09/19/1337050919.db2.gz YSPWGKBEXWIJAU-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001009639626 1337050920 /nfs/dbraw/zinc/05/09/20/1337050920.db2.gz YSPWGKBEXWIJAU-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001009633950 1337051061 /nfs/dbraw/zinc/05/10/61/1337051061.db2.gz HJRWBTUDLRDNMW-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001009633950 1337051065 /nfs/dbraw/zinc/05/10/65/1337051065.db2.gz HJRWBTUDLRDNMW-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001009633950 1337051068 /nfs/dbraw/zinc/05/10/68/1337051068.db2.gz HJRWBTUDLRDNMW-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001014607727 1337846241 /nfs/dbraw/zinc/84/62/41/1337846241.db2.gz OFHWIYRKQRPYFD-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001014607727 1337846244 /nfs/dbraw/zinc/84/62/44/1337846244.db2.gz OFHWIYRKQRPYFD-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001014707766 1337877402 /nfs/dbraw/zinc/87/74/02/1337877402.db2.gz UZVBRPBSMDJWEL-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001014707766 1337877408 /nfs/dbraw/zinc/87/74/08/1337877408.db2.gz UZVBRPBSMDJWEL-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001014707766 1337877412 /nfs/dbraw/zinc/87/74/12/1337877412.db2.gz UZVBRPBSMDJWEL-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CCCC2CCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001015387996 1338120739 /nfs/dbraw/zinc/12/07/39/1338120739.db2.gz OHNCMHBNVIRKGC-VQTJNVASSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603788 1338204703 /nfs/dbraw/zinc/20/47/03/1338204703.db2.gz YIXYAIQHIAFTFJ-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603788 1338204707 /nfs/dbraw/zinc/20/47/07/1338204707.db2.gz YIXYAIQHIAFTFJ-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603788 1338204709 /nfs/dbraw/zinc/20/47/09/1338204709.db2.gz YIXYAIQHIAFTFJ-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001015971591 1338385421 /nfs/dbraw/zinc/38/54/21/1338385421.db2.gz BRLVOONWGRQQAH-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001015971591 1338385422 /nfs/dbraw/zinc/38/54/22/1338385422.db2.gz BRLVOONWGRQQAH-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001015971591 1338385424 /nfs/dbraw/zinc/38/54/24/1338385424.db2.gz BRLVOONWGRQQAH-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001015976389 1338387961 /nfs/dbraw/zinc/38/79/61/1338387961.db2.gz MLTATMCHKIHIGJ-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001015976389 1338387964 /nfs/dbraw/zinc/38/79/64/1338387964.db2.gz MLTATMCHKIHIGJ-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001015976389 1338387967 /nfs/dbraw/zinc/38/79/67/1338387967.db2.gz MLTATMCHKIHIGJ-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016615815 1338665345 /nfs/dbraw/zinc/66/53/45/1338665345.db2.gz XSAKJOFPBQMPDZ-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC12CC[NH+](CCCC1CCC1)CC2 ZINC001016829642 1338739725 /nfs/dbraw/zinc/73/97/25/1338739725.db2.gz MHXNUAGTHQVAEV-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H](C[N@H+](C)CC2=CCCCC2)C1)C1CCC1 ZINC001017142271 1338893600 /nfs/dbraw/zinc/89/36/00/1338893600.db2.gz MFUDPFRPYGHPJE-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001017142271 1338893603 /nfs/dbraw/zinc/89/36/03/1338893603.db2.gz MFUDPFRPYGHPJE-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001017142271 1338893608 /nfs/dbraw/zinc/89/36/08/1338893608.db2.gz MFUDPFRPYGHPJE-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCCC2)C1)[NH+](C)C ZINC001017152225 1338902809 /nfs/dbraw/zinc/90/28/09/1338902809.db2.gz LQXQUTWQSXPHNH-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001017153457 1338904478 /nfs/dbraw/zinc/90/44/78/1338904478.db2.gz PVRLEPYFFTUDAG-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001017153457 1338904508 /nfs/dbraw/zinc/90/45/08/1338904508.db2.gz PVRLEPYFFTUDAG-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001017153457 1338904548 /nfs/dbraw/zinc/90/45/48/1338904548.db2.gz PVRLEPYFFTUDAG-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1)[NH+](C)C ZINC001017154626 1338905429 /nfs/dbraw/zinc/90/54/29/1338905429.db2.gz VXOLPVGZCHRGEP-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001017267542 1338993765 /nfs/dbraw/zinc/99/37/65/1338993765.db2.gz QJHHMTJWYZAOID-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001017267542 1338993766 /nfs/dbraw/zinc/99/37/66/1338993766.db2.gz QJHHMTJWYZAOID-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001017267542 1338993767 /nfs/dbraw/zinc/99/37/67/1338993767.db2.gz QJHHMTJWYZAOID-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001017658607 1339385584 /nfs/dbraw/zinc/38/55/84/1339385584.db2.gz IFURMKBHCUYYCY-HAGHYFMRSA-N 2 1 347.547 3.115 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001017658607 1339385586 /nfs/dbraw/zinc/38/55/86/1339385586.db2.gz IFURMKBHCUYYCY-HAGHYFMRSA-N 2 1 347.547 3.115 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001017658607 1339385592 /nfs/dbraw/zinc/38/55/92/1339385592.db2.gz IFURMKBHCUYYCY-HAGHYFMRSA-N 2 1 347.547 3.115 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[N@H+](CCCC)C2 ZINC001018166098 1339520081 /nfs/dbraw/zinc/52/00/81/1339520081.db2.gz PQCBFWVBZMMRKG-OTWHNJEPSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001018166098 1339520087 /nfs/dbraw/zinc/52/00/87/1339520087.db2.gz PQCBFWVBZMMRKG-OTWHNJEPSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001018166098 1339520089 /nfs/dbraw/zinc/52/00/89/1339520089.db2.gz PQCBFWVBZMMRKG-OTWHNJEPSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(CC)CC)C1 ZINC001028088962 1340417980 /nfs/dbraw/zinc/41/79/80/1340417980.db2.gz RYABLWVLHAQRTF-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(CC)CC)C1 ZINC001028088962 1340417983 /nfs/dbraw/zinc/41/79/83/1340417983.db2.gz RYABLWVLHAQRTF-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(CC)CC)C1 ZINC001028088962 1340417986 /nfs/dbraw/zinc/41/79/86/1340417986.db2.gz RYABLWVLHAQRTF-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP O=C(NC[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001028594642 1340719787 /nfs/dbraw/zinc/71/97/87/1340719787.db2.gz JKPWZLBHLQQMDU-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001028594642 1340719791 /nfs/dbraw/zinc/71/97/91/1340719791.db2.gz JKPWZLBHLQQMDU-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001028594642 1340719796 /nfs/dbraw/zinc/71/97/96/1340719796.db2.gz JKPWZLBHLQQMDU-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845920 1340857340 /nfs/dbraw/zinc/85/73/40/1340857340.db2.gz TXMQKIRCVGLNKA-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845920 1340857347 /nfs/dbraw/zinc/85/73/47/1340857347.db2.gz TXMQKIRCVGLNKA-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845920 1340857355 /nfs/dbraw/zinc/85/73/55/1340857355.db2.gz TXMQKIRCVGLNKA-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001029132926 1340939005 /nfs/dbraw/zinc/93/90/05/1340939005.db2.gz BXQGASRIBKQTNZ-QFBILLFUSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+](CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCC1)C1CCC1 ZINC001029340072 1340974189 /nfs/dbraw/zinc/97/41/89/1340974189.db2.gz YGBZCBSHYPYOKZ-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1)C1CCC1 ZINC001029340072 1340974190 /nfs/dbraw/zinc/97/41/90/1340974190.db2.gz YGBZCBSHYPYOKZ-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1)C1CCC1 ZINC001029340072 1340974191 /nfs/dbraw/zinc/97/41/91/1340974191.db2.gz YGBZCBSHYPYOKZ-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)CC ZINC001029550190 1341010727 /nfs/dbraw/zinc/01/07/27/1341010727.db2.gz DDALTRVTIBASAZ-ZRNYENFQSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)CC ZINC001029550190 1341010728 /nfs/dbraw/zinc/01/07/28/1341010728.db2.gz DDALTRVTIBASAZ-ZRNYENFQSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001029550190 1341010729 /nfs/dbraw/zinc/01/07/29/1341010729.db2.gz DDALTRVTIBASAZ-ZRNYENFQSA-N 2 1 349.563 3.362 20 0 EGADMP CC1CCC(C[N@@H+](C)C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)CC1 ZINC001029754944 1341064143 /nfs/dbraw/zinc/06/41/43/1341064143.db2.gz GSMQAYLBMPZVHA-ACBHZAAOSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CCC(C[NH+](C)C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001029754944 1341064145 /nfs/dbraw/zinc/06/41/45/1341064145.db2.gz GSMQAYLBMPZVHA-ACBHZAAOSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CCC(C[NH+](C)C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001029754944 1341064146 /nfs/dbraw/zinc/06/41/46/1341064146.db2.gz GSMQAYLBMPZVHA-ACBHZAAOSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CC1CCC1)CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001029966503 1341137444 /nfs/dbraw/zinc/13/74/44/1341137444.db2.gz ZNTKPJQVRQGYJV-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H](C(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001030002915 1341153811 /nfs/dbraw/zinc/15/38/11/1341153811.db2.gz SKHWVTJSCWLBJB-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2C[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001030825865 1341230926 /nfs/dbraw/zinc/23/09/26/1341230926.db2.gz RDUATCFQMDHDGI-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCCC2CCCC2)C1 ZINC001031050359 1341270163 /nfs/dbraw/zinc/27/01/63/1341270163.db2.gz JTTAQDBMFIHCAH-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCCC2CCCC2)C1 ZINC001031050359 1341270165 /nfs/dbraw/zinc/27/01/65/1341270165.db2.gz JTTAQDBMFIHCAH-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001032840084 1341631016 /nfs/dbraw/zinc/63/10/16/1341631016.db2.gz JKNGUGSBDHTHEN-IJXRJRJASA-N 2 1 343.515 3.059 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001032840084 1341631017 /nfs/dbraw/zinc/63/10/17/1341631017.db2.gz JKNGUGSBDHTHEN-IJXRJRJASA-N 2 1 343.515 3.059 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001032840084 1341631018 /nfs/dbraw/zinc/63/10/18/1341631018.db2.gz JKNGUGSBDHTHEN-IJXRJRJASA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033074308 1341716070 /nfs/dbraw/zinc/71/60/70/1341716070.db2.gz YDXSPAPNXVWEKS-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033074308 1341716071 /nfs/dbraw/zinc/71/60/71/1341716071.db2.gz YDXSPAPNXVWEKS-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033074308 1341716072 /nfs/dbraw/zinc/71/60/72/1341716072.db2.gz YDXSPAPNXVWEKS-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033395362 1341812042 /nfs/dbraw/zinc/81/20/42/1341812042.db2.gz IDXPHHIKYANNMT-WOJBJXKFSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033395359 1341812085 /nfs/dbraw/zinc/81/20/85/1341812085.db2.gz IDXPHHIKYANNMT-PMACEKPBSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033472653 1341840314 /nfs/dbraw/zinc/84/03/14/1341840314.db2.gz ZRRVAJGLHVMPDP-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033472653 1341840315 /nfs/dbraw/zinc/84/03/15/1341840315.db2.gz ZRRVAJGLHVMPDP-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033472653 1341840316 /nfs/dbraw/zinc/84/03/16/1341840316.db2.gz ZRRVAJGLHVMPDP-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033472228 1341840321 /nfs/dbraw/zinc/84/03/21/1341840321.db2.gz UOYUAZZQGZTJMK-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033472228 1341840322 /nfs/dbraw/zinc/84/03/22/1341840322.db2.gz UOYUAZZQGZTJMK-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033472228 1341840323 /nfs/dbraw/zinc/84/03/23/1341840323.db2.gz UOYUAZZQGZTJMK-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033474458 1341840753 /nfs/dbraw/zinc/84/07/53/1341840753.db2.gz HWJQSNXQQUCJER-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033684481 1341950255 /nfs/dbraw/zinc/95/02/55/1341950255.db2.gz GGKIDSUXUYAWAM-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033684481 1341950259 /nfs/dbraw/zinc/95/02/59/1341950259.db2.gz GGKIDSUXUYAWAM-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033684481 1341950261 /nfs/dbraw/zinc/95/02/61/1341950261.db2.gz GGKIDSUXUYAWAM-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001034040361 1342180790 /nfs/dbraw/zinc/18/07/90/1342180790.db2.gz SSBGCMVBRHAWKT-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001034040361 1342180792 /nfs/dbraw/zinc/18/07/92/1342180792.db2.gz SSBGCMVBRHAWKT-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001034040361 1342180795 /nfs/dbraw/zinc/18/07/95/1342180795.db2.gz SSBGCMVBRHAWKT-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001034129846 1342259283 /nfs/dbraw/zinc/25/92/83/1342259283.db2.gz DLPRVUTWEHUBGI-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001034129846 1342259286 /nfs/dbraw/zinc/25/92/86/1342259286.db2.gz DLPRVUTWEHUBGI-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001034129846 1342259288 /nfs/dbraw/zinc/25/92/88/1342259288.db2.gz DLPRVUTWEHUBGI-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034205143 1342316538 /nfs/dbraw/zinc/31/65/38/1342316538.db2.gz STZZDCDODSGLKS-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034205143 1342316543 /nfs/dbraw/zinc/31/65/43/1342316543.db2.gz STZZDCDODSGLKS-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034205143 1342316545 /nfs/dbraw/zinc/31/65/45/1342316545.db2.gz STZZDCDODSGLKS-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CCC3CCCC3)C2)CC[N@H+]1C ZINC001034216977 1342323240 /nfs/dbraw/zinc/32/32/40/1342323240.db2.gz MQPYFSBVSAVJBP-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCC3CCCC3)C2)CC[NH+]1C ZINC001034216977 1342323243 /nfs/dbraw/zinc/32/32/43/1342323243.db2.gz MQPYFSBVSAVJBP-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCC3CCCC3)C2)CC[NH+]1C ZINC001034216977 1342323246 /nfs/dbraw/zinc/32/32/46/1342323246.db2.gz MQPYFSBVSAVJBP-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034308584 1342392129 /nfs/dbraw/zinc/39/21/29/1342392129.db2.gz CUPITYXNLCZLSL-QGZVFWFLSA-N 2 1 342.487 3.355 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCCC[N@@H+](Cc2ccsc2)C1)[NH+]1CCCC1 ZINC001034340961 1342414669 /nfs/dbraw/zinc/41/46/69/1342414669.db2.gz WWYIXGOLWOZYPM-KRWDZBQOSA-N 2 1 349.544 3.093 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[NH+](CC=C(C)C)C2)C1 ZINC001034367960 1342437800 /nfs/dbraw/zinc/43/78/00/1342437800.db2.gz ITWXUYJIYGQSBV-RBUKOAKNSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCCC[N@H+](CC=C(C)C)C2)C1 ZINC001034367960 1342437801 /nfs/dbraw/zinc/43/78/01/1342437801.db2.gz ITWXUYJIYGQSBV-RBUKOAKNSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CC=C(C)C)C2)C1 ZINC001034367960 1342437805 /nfs/dbraw/zinc/43/78/05/1342437805.db2.gz ITWXUYJIYGQSBV-RBUKOAKNSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3CCCCC3)C2)CC[N@H+]1C ZINC001034370001 1342439319 /nfs/dbraw/zinc/43/93/19/1342439319.db2.gz ITRSRDYKYPORCD-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@H+](CC3CCCCC3)C2)CC[NH+]1C ZINC001034370001 1342439321 /nfs/dbraw/zinc/43/93/21/1342439321.db2.gz ITRSRDYKYPORCD-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CCCCC3)C2)CC[NH+]1C ZINC001034370001 1342439322 /nfs/dbraw/zinc/43/93/22/1342439322.db2.gz ITRSRDYKYPORCD-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034395712 1342463442 /nfs/dbraw/zinc/46/34/42/1342463442.db2.gz BWMHWGWNRFNMLJ-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](CCC2CCCCC2)C1 ZINC001034395712 1342463444 /nfs/dbraw/zinc/46/34/44/1342463444.db2.gz BWMHWGWNRFNMLJ-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001034395712 1342463446 /nfs/dbraw/zinc/46/34/46/1342463446.db2.gz BWMHWGWNRFNMLJ-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034396071 1342464837 /nfs/dbraw/zinc/46/48/37/1342464837.db2.gz CSZBSEUIFDUVEB-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](CC2CCCCC2)C1 ZINC001034396071 1342464841 /nfs/dbraw/zinc/46/48/41/1342464841.db2.gz CSZBSEUIFDUVEB-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](CC2CCCCC2)C1 ZINC001034396071 1342464843 /nfs/dbraw/zinc/46/48/43/1342464843.db2.gz CSZBSEUIFDUVEB-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034426820 1342489858 /nfs/dbraw/zinc/48/98/58/1342489858.db2.gz OZCWWPXSPQZQLR-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034426820 1342489863 /nfs/dbraw/zinc/48/98/63/1342489863.db2.gz OZCWWPXSPQZQLR-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034439000 1342501253 /nfs/dbraw/zinc/50/12/53/1342501253.db2.gz REQGBCKDVWQTJT-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034439000 1342501256 /nfs/dbraw/zinc/50/12/56/1342501256.db2.gz REQGBCKDVWQTJT-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034439000 1342501259 /nfs/dbraw/zinc/50/12/59/1342501259.db2.gz REQGBCKDVWQTJT-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034460153 1342516137 /nfs/dbraw/zinc/51/61/37/1342516137.db2.gz CKLASTVWMRSXMO-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCC[NH+](CCCC3CCCC3)C2)C1 ZINC001034490632 1342547095 /nfs/dbraw/zinc/54/70/95/1342547095.db2.gz MKDIKTAFDUUKDZ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCCC[N@H+](CCCC3CCCC3)C2)C1 ZINC001034490632 1342547097 /nfs/dbraw/zinc/54/70/97/1342547097.db2.gz MKDIKTAFDUUKDZ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCCC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001034490632 1342547104 /nfs/dbraw/zinc/54/71/04/1342547104.db2.gz MKDIKTAFDUUKDZ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001034643499 1342668737 /nfs/dbraw/zinc/66/87/37/1342668737.db2.gz XBIQGXHRGQELNQ-VAMGGRTRSA-N 2 1 347.547 3.377 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034792102 1342761124 /nfs/dbraw/zinc/76/11/24/1342761124.db2.gz FALNBQNOYOZYOZ-VJANTYMQSA-N 2 1 343.515 3.025 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1 ZINC001034795652 1342762850 /nfs/dbraw/zinc/76/28/50/1342762850.db2.gz NZPGZWXVWDRZES-VAMGGRTRSA-N 2 1 343.515 3.078 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001034934532 1342843309 /nfs/dbraw/zinc/84/33/09/1342843309.db2.gz PUGMGZDFOCGIDC-RTBURBONSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1csc(C)c1 ZINC001034954694 1342851993 /nfs/dbraw/zinc/85/19/93/1342851993.db2.gz UDLVARYFZDQDAT-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001034958564 1342853388 /nfs/dbraw/zinc/85/33/88/1342853388.db2.gz KOQRTYJIJPJCOL-QZTJIDSGSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001034980145 1342863426 /nfs/dbraw/zinc/86/34/26/1342863426.db2.gz OZZUGSXZLMOKDB-RTBURBONSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)C1 ZINC001035023463 1342882439 /nfs/dbraw/zinc/88/24/39/1342882439.db2.gz ZNAOGIONVQNHHX-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](C(=O)N1CCC2(CC[N@@H+](CCC3CCCC3)C2)CC1)[NH+](C)C ZINC001035197728 1343010419 /nfs/dbraw/zinc/01/04/19/1343010419.db2.gz SUTMQVDWQFGFLE-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC001035256942 1343083692 /nfs/dbraw/zinc/08/36/92/1343083692.db2.gz PCMGOROPOPTYQI-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC3(C[NH+](C[C@H](C)CC)C3)CC2)C1 ZINC001035773323 1343184399 /nfs/dbraw/zinc/18/43/99/1343184399.db2.gz XBDQJKGPKGXLFY-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)(C)CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CCC(C)(C)C1)CC2 ZINC001035798821 1343203943 /nfs/dbraw/zinc/20/39/43/1343203943.db2.gz POBRJFFECQJZAU-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001036423116 1343477306 /nfs/dbraw/zinc/47/73/06/1343477306.db2.gz ZUVFHACTUIGWKO-SJLPKXTDSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC2CC2)C1 ZINC001036458209 1343497384 /nfs/dbraw/zinc/49/73/84/1343497384.db2.gz UBEXDBVUGNSLAP-AEFFLSMTSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036793945 1343726595 /nfs/dbraw/zinc/72/65/95/1343726595.db2.gz NDPIOGCBTXRUEX-ROUUACIJSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036793946 1343727185 /nfs/dbraw/zinc/72/71/85/1343727185.db2.gz NDPIOGCBTXRUEX-ZWKOTPCHSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036842079 1343780575 /nfs/dbraw/zinc/78/05/75/1343780575.db2.gz JXHVUFWBPCHSBR-PMACEKPBSA-N 2 1 343.515 3.085 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036904290 1343851199 /nfs/dbraw/zinc/85/11/99/1343851199.db2.gz PFNIAPXFKWXJEZ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@@H]2CNC(=O)c2ccn3c[nH+]cc3c2)c1 ZINC001038464251 1344435505 /nfs/dbraw/zinc/43/55/05/1344435505.db2.gz CEJURCFANKLAIE-QFBILLFUSA-N 2 1 348.450 3.208 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+]2CCC2CCCCC2)C1 ZINC001038625929 1344509754 /nfs/dbraw/zinc/50/97/54/1344509754.db2.gz SVSNDDSGHKQIBR-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCC2CCCCC2)C1 ZINC001038625929 1344509758 /nfs/dbraw/zinc/50/97/58/1344509758.db2.gz SVSNDDSGHKQIBR-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@H+]2CCC2CCCCC2)C1 ZINC001038625929 1344509760 /nfs/dbraw/zinc/50/97/60/1344509760.db2.gz SVSNDDSGHKQIBR-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCC1 ZINC001038782469 1344582021 /nfs/dbraw/zinc/58/20/21/1344582021.db2.gz UASUQPDSCXBDQM-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCC1 ZINC001038782469 1344582022 /nfs/dbraw/zinc/58/20/22/1344582022.db2.gz UASUQPDSCXBDQM-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001038782469 1344582023 /nfs/dbraw/zinc/58/20/23/1344582023.db2.gz UASUQPDSCXBDQM-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CC2CCCC2)o1 ZINC001039071577 1344754491 /nfs/dbraw/zinc/75/44/91/1344754491.db2.gz AUQGZTKJABROJE-KRWDZBQOSA-N 2 1 347.503 3.116 20 0 EGADMP CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001039232119 1344951952 /nfs/dbraw/zinc/95/19/52/1344951952.db2.gz SZSSIOTVZJTPGJ-PMACEKPBSA-N 2 1 343.515 3.085 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001039425755 1345062871 /nfs/dbraw/zinc/06/28/71/1345062871.db2.gz TYJUPJFYQKFNAJ-NXHRZFHOSA-N 2 1 347.503 3.066 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001039425755 1345062873 /nfs/dbraw/zinc/06/28/73/1345062873.db2.gz TYJUPJFYQKFNAJ-NXHRZFHOSA-N 2 1 347.503 3.066 20 0 EGADMP CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC1CCC1)[NH+](C)C ZINC001039658483 1345153951 /nfs/dbraw/zinc/15/39/51/1345153951.db2.gz MSQHUSDHUDHXJH-ZCNNSNEGSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040261773 1345400390 /nfs/dbraw/zinc/40/03/90/1345400390.db2.gz AJQCNROVGQCOMY-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040261773 1345400392 /nfs/dbraw/zinc/40/03/92/1345400392.db2.gz AJQCNROVGQCOMY-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001040261773 1345400395 /nfs/dbraw/zinc/40/03/95/1345400395.db2.gz AJQCNROVGQCOMY-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH2+]CC[C@H]1Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001218024910 1373540492 /nfs/dbraw/zinc/54/04/92/1373540492.db2.gz QIOAEKWKZZKPNL-BLLLJJGKSA-N 2 1 341.293 3.278 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041278335 1345692490 /nfs/dbraw/zinc/69/24/90/1345692490.db2.gz URUCTWMSEAEMPZ-RXVVDRJESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001041278335 1345692491 /nfs/dbraw/zinc/69/24/91/1345692491.db2.gz URUCTWMSEAEMPZ-RXVVDRJESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001041278335 1345692493 /nfs/dbraw/zinc/69/24/93/1345692493.db2.gz URUCTWMSEAEMPZ-RXVVDRJESA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@]3(CC[NH+](CCC(C)(C)C)C3)C2)CC[N@H+]1C ZINC001041599172 1345788187 /nfs/dbraw/zinc/78/81/87/1345788187.db2.gz FYPGKZXFMMIKFP-WFXMLNOXSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@]3(CC[N@H+](CCC(C)(C)C)C3)C2)CC[NH+]1C ZINC001041599172 1345788189 /nfs/dbraw/zinc/78/81/89/1345788189.db2.gz FYPGKZXFMMIKFP-WFXMLNOXSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)CC[NH+]1C ZINC001041599172 1345788191 /nfs/dbraw/zinc/78/81/91/1345788191.db2.gz FYPGKZXFMMIKFP-WFXMLNOXSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001041671682 1345817815 /nfs/dbraw/zinc/81/78/15/1345817815.db2.gz NGPOYVSIIFJZJN-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001041671682 1345817817 /nfs/dbraw/zinc/81/78/17/1345817817.db2.gz NGPOYVSIIFJZJN-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001041671682 1345817822 /nfs/dbraw/zinc/81/78/22/1345817822.db2.gz NGPOYVSIIFJZJN-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001041673678 1345818135 /nfs/dbraw/zinc/81/81/35/1345818135.db2.gz ZFNHQPDUDZFUDJ-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001041673678 1345818136 /nfs/dbraw/zinc/81/81/36/1345818136.db2.gz ZFNHQPDUDZFUDJ-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042286692 1346017031 /nfs/dbraw/zinc/01/70/31/1346017031.db2.gz BUEZGPAZFVEKOO-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1C[NH+](CC2CCCCC2)C1 ZINC001042925181 1346125219 /nfs/dbraw/zinc/12/52/19/1346125219.db2.gz YKYZBAXNFHSDKM-HXUWFJFHSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H](C(=O)N(C)C1C[NH+](CCC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001044003092 1346231906 /nfs/dbraw/zinc/23/19/06/1346231906.db2.gz IYDFYYKWHLKDDV-SFHVURJKSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1C[NH+](CCC2=CCCCC2)C1 ZINC001044034100 1346237338 /nfs/dbraw/zinc/23/73/38/1346237338.db2.gz DLNMXHJYZVNHOL-UYAOXDASSA-N 2 1 345.531 3.036 20 0 EGADMP CN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1C[NH+](CCC2=CCCCC2)C1 ZINC001044034100 1346237339 /nfs/dbraw/zinc/23/73/39/1346237339.db2.gz DLNMXHJYZVNHOL-UYAOXDASSA-N 2 1 345.531 3.036 20 0 EGADMP Cc1cc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H](C)C2)cs1 ZINC001044630798 1346388030 /nfs/dbraw/zinc/38/80/30/1346388030.db2.gz YXFXOSIAAKYARK-YOEHRIQHSA-N 2 1 349.544 3.010 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045033818 1346483932 /nfs/dbraw/zinc/48/39/32/1346483932.db2.gz GASKNIZNEQQFBC-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001045066756 1346489318 /nfs/dbraw/zinc/48/93/18/1346489318.db2.gz FSZSHJGKOLGTOV-PMACEKPBSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001045163964 1346511575 /nfs/dbraw/zinc/51/15/75/1346511575.db2.gz CHCGRXBNKJBJCD-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CC1CCC(C[NH2+]C[C@@H]2CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001045201866 1346528863 /nfs/dbraw/zinc/52/88/63/1346528863.db2.gz JVZPWTRHWDGVPV-ACBHZAAOSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CCC(C)(C)C)CC1 ZINC001045437806 1346593736 /nfs/dbraw/zinc/59/37/36/1346593736.db2.gz FCHGPKOGIBBVGK-KRWDZBQOSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](CCC(C)(C)C)CC2)CC[N@H+]1C ZINC001045440949 1346594716 /nfs/dbraw/zinc/59/47/16/1346594716.db2.gz RKBODCPJJDDENX-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1)C1CCC1 ZINC001045795117 1346700290 /nfs/dbraw/zinc/70/02/90/1346700290.db2.gz PUZLCHHRUHDZRI-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1)C1CCC1 ZINC001045795117 1346700292 /nfs/dbraw/zinc/70/02/92/1346700292.db2.gz PUZLCHHRUHDZRI-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1)C1CCC1 ZINC001045795117 1346700293 /nfs/dbraw/zinc/70/02/93/1346700293.db2.gz PUZLCHHRUHDZRI-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1)[NH+](C)C ZINC001045842165 1346717522 /nfs/dbraw/zinc/71/75/22/1346717522.db2.gz YFIOCSJZVWQKSL-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986187 1346827919 /nfs/dbraw/zinc/82/79/19/1346827919.db2.gz JLVKPBOOQFSYCW-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001045986187 1346827921 /nfs/dbraw/zinc/82/79/21/1346827921.db2.gz JLVKPBOOQFSYCW-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001045986187 1346827924 /nfs/dbraw/zinc/82/79/24/1346827924.db2.gz JLVKPBOOQFSYCW-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CCCC2CCCC2)C1 ZINC001046316020 1346931331 /nfs/dbraw/zinc/93/13/31/1346931331.db2.gz MHBXAOVNOBGYLP-CTNGQTDRSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CCCC2CCCC2)C1 ZINC001046316020 1346931334 /nfs/dbraw/zinc/93/13/34/1346931334.db2.gz MHBXAOVNOBGYLP-CTNGQTDRSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCCC2CCCC2)C1 ZINC001046316020 1346931336 /nfs/dbraw/zinc/93/13/36/1346931336.db2.gz MHBXAOVNOBGYLP-CTNGQTDRSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@](C)(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cs1 ZINC001046316278 1346932157 /nfs/dbraw/zinc/93/21/57/1346932157.db2.gz NKGLKXIXTOZRKV-PKOBYXMFSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@](C)(NC(=O)[C@@H]3CCC[NH+]3C(C)C)C2)cs1 ZINC001046316278 1346932159 /nfs/dbraw/zinc/93/21/59/1346932159.db2.gz NKGLKXIXTOZRKV-PKOBYXMFSA-N 2 1 349.544 3.010 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@](C)(NC(=O)[C@@H]3CCC[NH+]3C(C)C)C2)cs1 ZINC001046316278 1346932161 /nfs/dbraw/zinc/93/21/61/1346932161.db2.gz NKGLKXIXTOZRKV-PKOBYXMFSA-N 2 1 349.544 3.010 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCCC2CCC2)C1 ZINC001046316777 1346932246 /nfs/dbraw/zinc/93/22/46/1346932246.db2.gz RDQSKNJFNAACHH-ICSRJNTNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCCC2CCC2)C1 ZINC001046316777 1346932248 /nfs/dbraw/zinc/93/22/48/1346932248.db2.gz RDQSKNJFNAACHH-ICSRJNTNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCCC2CCC2)C1 ZINC001046316777 1346932249 /nfs/dbraw/zinc/93/22/49/1346932249.db2.gz RDQSKNJFNAACHH-ICSRJNTNSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047258147 1347281109 /nfs/dbraw/zinc/28/11/09/1347281109.db2.gz YEJGYNZMLODNOC-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048574185 1347600370 /nfs/dbraw/zinc/60/03/70/1347600370.db2.gz RRYGYJINMDEHCC-OBKDMQGPSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[N@@H+]31)C2 ZINC001048574185 1347600372 /nfs/dbraw/zinc/60/03/72/1347600372.db2.gz RRYGYJINMDEHCC-OBKDMQGPSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)C2 ZINC001048574185 1347600374 /nfs/dbraw/zinc/60/03/74/1347600374.db2.gz RRYGYJINMDEHCC-OBKDMQGPSA-N 2 1 347.547 3.019 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC001049504216 1347880999 /nfs/dbraw/zinc/88/09/99/1347880999.db2.gz FABHQGXKUGPITB-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCC1 ZINC001049504216 1347881003 /nfs/dbraw/zinc/88/10/03/1347881003.db2.gz FABHQGXKUGPITB-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCC1 ZINC001049504216 1347881004 /nfs/dbraw/zinc/88/10/04/1347881004.db2.gz FABHQGXKUGPITB-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCCC1)[NH+](C)C ZINC001049531592 1347894556 /nfs/dbraw/zinc/89/45/56/1347894556.db2.gz CJWWGGVJGBMRRH-ZCNNSNEGSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1=CCCCC1)[NH+](C)C ZINC001049532373 1347895460 /nfs/dbraw/zinc/89/54/60/1347895460.db2.gz IHDUVGJOCBGRHL-UFYCRDLUSA-N 2 1 347.547 3.138 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CC1 ZINC001049837439 1348050166 /nfs/dbraw/zinc/05/01/66/1348050166.db2.gz PQOQSARRVHKVPL-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC001049837439 1348050167 /nfs/dbraw/zinc/05/01/67/1348050167.db2.gz PQOQSARRVHKVPL-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CC1 ZINC001049837439 1348050170 /nfs/dbraw/zinc/05/01/70/1348050170.db2.gz PQOQSARRVHKVPL-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049913996 1348109030 /nfs/dbraw/zinc/10/90/30/1348109030.db2.gz LCDLJNYFKNLXHT-AQNXPRMDSA-N 2 1 343.515 3.155 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049913996 1348109031 /nfs/dbraw/zinc/10/90/31/1348109031.db2.gz LCDLJNYFKNLXHT-AQNXPRMDSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]C(C)C)cc1 ZINC001050265221 1348222783 /nfs/dbraw/zinc/22/27/83/1348222783.db2.gz LJJVUJVOXXEWRZ-PXNSSMCTSA-N 2 1 345.531 3.482 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)C1 ZINC001050357066 1348236720 /nfs/dbraw/zinc/23/67/20/1348236720.db2.gz JDAGSQVULJWUFW-VAMGGRTRSA-N 2 1 349.563 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(CC)CC)CC2 ZINC001050536518 1348285764 /nfs/dbraw/zinc/28/57/64/1348285764.db2.gz LZDHQIKZDDXVIZ-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC001052377141 1348535258 /nfs/dbraw/zinc/53/52/58/1348535258.db2.gz NPALFUUUZMXQDP-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001052377141 1348535259 /nfs/dbraw/zinc/53/52/59/1348535259.db2.gz NPALFUUUZMXQDP-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001052377141 1348535261 /nfs/dbraw/zinc/53/52/61/1348535261.db2.gz NPALFUUUZMXQDP-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3=CCCCC3)CC2)CC[N@H+]1C ZINC001052395183 1348539450 /nfs/dbraw/zinc/53/94/50/1348539450.db2.gz MCGGBYHCRFQEQE-HSALFYBXSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC3=CCCCC3)CC2)CC[NH+]1C ZINC001052395183 1348539451 /nfs/dbraw/zinc/53/94/51/1348539451.db2.gz MCGGBYHCRFQEQE-HSALFYBXSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC3=CCCCC3)CC2)CC[NH+]1C ZINC001052395183 1348539453 /nfs/dbraw/zinc/53/94/53/1348539453.db2.gz MCGGBYHCRFQEQE-HSALFYBXSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC001052394913 1348539650 /nfs/dbraw/zinc/53/96/50/1348539650.db2.gz HMYLMRJPRYVDDO-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)CC2)CC[NH+]1C ZINC001052394913 1348539652 /nfs/dbraw/zinc/53/96/52/1348539652.db2.gz HMYLMRJPRYVDDO-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)CC2)CC[NH+]1C ZINC001052394913 1348539654 /nfs/dbraw/zinc/53/96/54/1348539654.db2.gz HMYLMRJPRYVDDO-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCCC3CCC3)CC2)CC[N@H+]1C ZINC001052395208 1348539817 /nfs/dbraw/zinc/53/98/17/1348539817.db2.gz NBWJNLBSEAHLQD-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](CCCC3CCC3)CC2)CC[NH+]1C ZINC001052395208 1348539820 /nfs/dbraw/zinc/53/98/20/1348539820.db2.gz NBWJNLBSEAHLQD-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCCC3CCC3)CC2)CC[NH+]1C ZINC001052395208 1348539821 /nfs/dbraw/zinc/53/98/21/1348539821.db2.gz NBWJNLBSEAHLQD-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052506840 1348561498 /nfs/dbraw/zinc/56/14/98/1348561498.db2.gz MRUHDZJURKZZSA-NVXWUHKLSA-N 2 1 342.487 3.273 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591638 1348588533 /nfs/dbraw/zinc/58/85/33/1348588533.db2.gz PYMYDUJQJKEPBR-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052787835 1348679243 /nfs/dbraw/zinc/67/92/43/1348679243.db2.gz MQTXPOUQBZYBGG-HXUWFJFHSA-N 2 1 343.515 3.299 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052788552 1348679834 /nfs/dbraw/zinc/67/98/34/1348679834.db2.gz SUFRNBXGVKLRES-XLIONFOSSA-N 2 1 345.531 3.379 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCC(C)(C)C)CC2)CC1 ZINC001052821599 1348690077 /nfs/dbraw/zinc/69/00/77/1348690077.db2.gz ZIVJIBXDSUNPKY-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](CC3CCCCCC3)CC2)C1 ZINC001052867399 1348710756 /nfs/dbraw/zinc/71/07/56/1348710756.db2.gz LYJKPYWLZWRMQY-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@H+](CC3CCCCCC3)CC2)C1 ZINC001052867399 1348710760 /nfs/dbraw/zinc/71/07/60/1348710760.db2.gz LYJKPYWLZWRMQY-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@@H+](CC3CCCCCC3)CC2)C1 ZINC001052867399 1348710764 /nfs/dbraw/zinc/71/07/64/1348710764.db2.gz LYJKPYWLZWRMQY-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001052955405 1348769338 /nfs/dbraw/zinc/76/93/38/1348769338.db2.gz FLVGDQYCXZNUFB-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001052955405 1348769340 /nfs/dbraw/zinc/76/93/40/1348769340.db2.gz FLVGDQYCXZNUFB-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001052955405 1348769343 /nfs/dbraw/zinc/76/93/43/1348769343.db2.gz FLVGDQYCXZNUFB-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036896 1348837101 /nfs/dbraw/zinc/83/71/01/1348837101.db2.gz RVDNOTLWYKNBJF-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087199 1348910530 /nfs/dbraw/zinc/91/05/30/1348910530.db2.gz IWIDLJOBNUAALO-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053087199 1348910531 /nfs/dbraw/zinc/91/05/31/1348910531.db2.gz IWIDLJOBNUAALO-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053087199 1348910535 /nfs/dbraw/zinc/91/05/35/1348910535.db2.gz IWIDLJOBNUAALO-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087670 1348911782 /nfs/dbraw/zinc/91/17/82/1348911782.db2.gz MWSINEPBPBXSNQ-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053087670 1348911785 /nfs/dbraw/zinc/91/17/85/1348911785.db2.gz MWSINEPBPBXSNQ-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053087670 1348911789 /nfs/dbraw/zinc/91/17/89/1348911789.db2.gz MWSINEPBPBXSNQ-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001054214016 1349213413 /nfs/dbraw/zinc/21/34/13/1349213413.db2.gz OYCWNLKUXJXVTH-NRFANRHFSA-N 2 1 343.515 3.086 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245138 1349238985 /nfs/dbraw/zinc/23/89/85/1349238985.db2.gz OYVIGABTVTVPDF-PZJWPPBQSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)cc2C1 ZINC001054266011 1349264080 /nfs/dbraw/zinc/26/40/80/1349264080.db2.gz IENXHEVKHOBVAK-VQTJNVASSA-N 2 1 343.515 3.149 20 0 EGADMP CCCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)cc2C1 ZINC001054266011 1349264082 /nfs/dbraw/zinc/26/40/82/1349264082.db2.gz IENXHEVKHOBVAK-VQTJNVASSA-N 2 1 343.515 3.149 20 0 EGADMP CCCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)cc2C1 ZINC001054266011 1349264085 /nfs/dbraw/zinc/26/40/85/1349264085.db2.gz IENXHEVKHOBVAK-VQTJNVASSA-N 2 1 343.515 3.149 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)cc2C1 ZINC001054269580 1349268187 /nfs/dbraw/zinc/26/81/87/1349268187.db2.gz FVOZIYWSOGBWEC-UXHICEINSA-N 2 1 341.499 3.045 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)cc2C1 ZINC001054269580 1349268189 /nfs/dbraw/zinc/26/81/89/1349268189.db2.gz FVOZIYWSOGBWEC-UXHICEINSA-N 2 1 341.499 3.045 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)cc2C1 ZINC001054269580 1349268192 /nfs/dbraw/zinc/26/81/92/1349268192.db2.gz FVOZIYWSOGBWEC-UXHICEINSA-N 2 1 341.499 3.045 20 0 EGADMP CCC(CC)C[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)C3)cc2C1 ZINC001054292268 1349298518 /nfs/dbraw/zinc/29/85/18/1349298518.db2.gz XOAXMQSSZPKOEK-LJQANCHMSA-N 2 1 343.515 3.006 20 0 EGADMP CCC(CC)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2C1 ZINC001054292268 1349298523 /nfs/dbraw/zinc/29/85/23/1349298523.db2.gz XOAXMQSSZPKOEK-LJQANCHMSA-N 2 1 343.515 3.006 20 0 EGADMP CCC(CC)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2C1 ZINC001054292268 1349298527 /nfs/dbraw/zinc/29/85/27/1349298527.db2.gz XOAXMQSSZPKOEK-LJQANCHMSA-N 2 1 343.515 3.006 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037932 1357463656 /nfs/dbraw/zinc/46/36/56/1357463656.db2.gz WBXAFMIENFQCBB-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP Cc1nc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)ccc1Br ZINC001232665390 1376496179 /nfs/dbraw/zinc/49/61/79/1376496179.db2.gz GZNVAQMVNKFUTA-UHFFFAOYSA-N 2 1 338.293 3.070 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383783 1357597261 /nfs/dbraw/zinc/59/72/61/1357597261.db2.gz XJPNYJPIZXAEMC-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@H+]1CC1CCC1 ZINC001071508463 1354733678 /nfs/dbraw/zinc/73/36/78/1354733678.db2.gz OKPXWQYIXQKENE-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[N@H+]1CC1CCCC1 ZINC001071600061 1354787970 /nfs/dbraw/zinc/78/79/70/1354787970.db2.gz FMGJMLMVCDUGEU-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071627371 1354811477 /nfs/dbraw/zinc/81/14/77/1354811477.db2.gz DRZUGJJJJRHDON-GDBMZVCRSA-N 2 1 328.460 3.026 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001071651024 1354827106 /nfs/dbraw/zinc/82/71/06/1354827106.db2.gz FUEOCDHIGVGSOY-QAPCUYQASA-N 2 1 342.487 3.353 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071821592 1354960778 /nfs/dbraw/zinc/96/07/78/1354960778.db2.gz QNELPZWCOKWHPX-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071821592 1354960780 /nfs/dbraw/zinc/96/07/80/1354960780.db2.gz QNELPZWCOKWHPX-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071821592 1354960783 /nfs/dbraw/zinc/96/07/83/1354960783.db2.gz QNELPZWCOKWHPX-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCCC2)C1 ZINC001071867821 1354992546 /nfs/dbraw/zinc/99/25/46/1354992546.db2.gz FGMUBJYCCYFTRK-AEFFLSMTSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CCCC2)C1 ZINC001071867821 1354992548 /nfs/dbraw/zinc/99/25/48/1354992548.db2.gz FGMUBJYCCYFTRK-AEFFLSMTSA-N 2 1 346.519 3.166 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@@H+]1C/C=C/Cl ZINC001071898027 1355012660 /nfs/dbraw/zinc/01/26/60/1355012660.db2.gz TWCHETFHZPUQAZ-BCMWSBEQSA-N 2 1 349.906 3.083 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@H+]1C/C=C/Cl ZINC001071898027 1355012664 /nfs/dbraw/zinc/01/26/64/1355012664.db2.gz TWCHETFHZPUQAZ-BCMWSBEQSA-N 2 1 349.906 3.083 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[N@@H+]1CCC(C)(C)C ZINC001071998375 1355066958 /nfs/dbraw/zinc/06/69/58/1355066958.db2.gz JEBCVRHFXMOFRS-HZPDHXFCSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[N@H+]1CCC(C)(C)C ZINC001071998375 1355066960 /nfs/dbraw/zinc/06/69/60/1355066960.db2.gz JEBCVRHFXMOFRS-HZPDHXFCSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@@H+]1C/C=C/Cl ZINC001072096410 1355127836 /nfs/dbraw/zinc/12/78/36/1355127836.db2.gz ZABLLVXCYZGFPG-UVQBYNNYSA-N 2 1 349.906 3.083 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@H+]1C/C=C/Cl ZINC001072096410 1355127839 /nfs/dbraw/zinc/12/78/39/1355127839.db2.gz ZABLLVXCYZGFPG-UVQBYNNYSA-N 2 1 349.906 3.083 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001094241658 1361758539 /nfs/dbraw/zinc/75/85/39/1361758539.db2.gz UNTJEJNQUZGRIF-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CCC(C)(C)C)C3)CC1 ZINC001073099766 1355595983 /nfs/dbraw/zinc/59/59/83/1355595983.db2.gz KEUXTOXOMBEXKZ-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)CC)C2 ZINC001073116344 1355605372 /nfs/dbraw/zinc/60/53/72/1355605372.db2.gz LYLVQRDJPPMBPN-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@H](C)CC)C2 ZINC001073116344 1355605376 /nfs/dbraw/zinc/60/53/76/1355605376.db2.gz LYLVQRDJPPMBPN-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@H](C)CC)C2 ZINC001073116344 1355605378 /nfs/dbraw/zinc/60/53/78/1355605378.db2.gz LYLVQRDJPPMBPN-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CCC(C)(C)C)C3)C1 ZINC001073125679 1355610425 /nfs/dbraw/zinc/61/04/25/1355610425.db2.gz FDVOQSOXBVHPCH-MSOLQXFVSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001074693799 1356224578 /nfs/dbraw/zinc/22/45/78/1356224578.db2.gz TYTGMOLRZLSXSG-SXLOBPIMSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)CC1 ZINC001075458606 1356391016 /nfs/dbraw/zinc/39/10/16/1356391016.db2.gz LDUPLHWVZIIGLX-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCCC2)CC1 ZINC001097774628 1363117782 /nfs/dbraw/zinc/11/77/82/1363117782.db2.gz APPHYHDZHQMEOR-AQNXPRMDSA-N 2 1 347.547 3.020 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001099107384 1363626181 /nfs/dbraw/zinc/62/61/81/1363626181.db2.gz YWHDZRSMIGYQBZ-JNVNVXKGSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099126837 1363639571 /nfs/dbraw/zinc/63/95/71/1363639571.db2.gz YLXIFUPEWFRFHQ-AQRBRUGDSA-N 2 1 337.552 3.290 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1Cc1ccccc1 ZINC001099316159 1363745500 /nfs/dbraw/zinc/74/55/00/1363745500.db2.gz NNCRYYLRZDAUHE-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccccc1 ZINC001099316159 1363745502 /nfs/dbraw/zinc/74/55/02/1363745502.db2.gz NNCRYYLRZDAUHE-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccccc1 ZINC001099316159 1363745504 /nfs/dbraw/zinc/74/55/04/1363745504.db2.gz NNCRYYLRZDAUHE-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(C)C)C[C@H]1C ZINC001080756137 1357733585 /nfs/dbraw/zinc/73/35/85/1357733585.db2.gz JRFAVMNNOANXAZ-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C ZINC001080756137 1357733588 /nfs/dbraw/zinc/73/35/88/1357733588.db2.gz JRFAVMNNOANXAZ-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001080756137 1357733591 /nfs/dbraw/zinc/73/35/91/1357733591.db2.gz JRFAVMNNOANXAZ-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001082741130 1358085735 /nfs/dbraw/zinc/08/57/35/1358085735.db2.gz QGJDWAQEKIFQNE-WSTZPKSXSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCC(C)C)C[C@H]21 ZINC001084767732 1358304801 /nfs/dbraw/zinc/30/48/01/1358304801.db2.gz HOWQRUMDSGEKJT-VAMGGRTRSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCC(C)C)C[C@H]21 ZINC001084767732 1358304802 /nfs/dbraw/zinc/30/48/02/1358304802.db2.gz HOWQRUMDSGEKJT-VAMGGRTRSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC(C)C)C[C@H]21 ZINC001084767732 1358304804 /nfs/dbraw/zinc/30/48/04/1358304804.db2.gz HOWQRUMDSGEKJT-VAMGGRTRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049779 1358378260 /nfs/dbraw/zinc/37/82/60/1358378260.db2.gz YKLBTYSCSQGBIM-ZCNNSNEGSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001085152731 1358413741 /nfs/dbraw/zinc/41/37/41/1358413741.db2.gz PANLNNYPHDXDFB-QRVBRYPASA-N 2 1 349.563 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001085217947 1358436375 /nfs/dbraw/zinc/43/63/75/1358436375.db2.gz YVDJQIGKJADVAZ-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001085245919 1358442948 /nfs/dbraw/zinc/44/29/48/1358442948.db2.gz UGRGYNFLLPNBBT-GUDVDZBRSA-N 2 1 335.536 3.068 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCCC2)C1 ZINC001085333485 1358469878 /nfs/dbraw/zinc/46/98/78/1358469878.db2.gz RJDWXBQDRDSDOS-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001085332138 1358470026 /nfs/dbraw/zinc/47/00/26/1358470026.db2.gz LTQCYYVURZQXQE-BHIYHBOVSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)(C)CCC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001323336049 1387341757 /nfs/dbraw/zinc/34/17/57/1387341757.db2.gz PBBLWSWRRCCHGK-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC001183755347 1387343478 /nfs/dbraw/zinc/34/34/78/1387343478.db2.gz IABVQIQCQWZZHN-ZCNNSNEGSA-N 2 1 343.515 3.030 20 0 EGADMP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC001183755347 1387343481 /nfs/dbraw/zinc/34/34/81/1387343481.db2.gz IABVQIQCQWZZHN-ZCNNSNEGSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001085594070 1358620661 /nfs/dbraw/zinc/62/06/61/1358620661.db2.gz YDJCUSBTDIUIMZ-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001085594070 1358620664 /nfs/dbraw/zinc/62/06/64/1358620664.db2.gz YDJCUSBTDIUIMZ-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCCC1 ZINC001085594070 1358620667 /nfs/dbraw/zinc/62/06/67/1358620667.db2.gz YDJCUSBTDIUIMZ-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1=CCCCC1 ZINC001085687554 1358688624 /nfs/dbraw/zinc/68/86/24/1358688624.db2.gz QNLADQXKBHBVLS-WOJBJXKFSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001085687554 1358688628 /nfs/dbraw/zinc/68/86/28/1358688628.db2.gz QNLADQXKBHBVLS-WOJBJXKFSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1=CCCCC1 ZINC001085687554 1358688631 /nfs/dbraw/zinc/68/86/31/1358688631.db2.gz QNLADQXKBHBVLS-WOJBJXKFSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCCC1 ZINC001085688856 1358689634 /nfs/dbraw/zinc/68/96/34/1358689634.db2.gz STCJXEOOWYEOGF-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001085688856 1358689637 /nfs/dbraw/zinc/68/96/37/1358689637.db2.gz STCJXEOOWYEOGF-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001085688856 1358689639 /nfs/dbraw/zinc/68/96/39/1358689639.db2.gz STCJXEOOWYEOGF-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCCC2CCCC2)CC[N@H+]1C ZINC001085783229 1358757904 /nfs/dbraw/zinc/75/79/04/1358757904.db2.gz QLLGYBBBYXMRHZ-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCCC2CCCC2)CC[NH+]1C ZINC001085783229 1358757905 /nfs/dbraw/zinc/75/79/05/1358757905.db2.gz QLLGYBBBYXMRHZ-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCCC2CCCC2)CC[NH+]1C ZINC001085783229 1358757911 /nfs/dbraw/zinc/75/79/11/1358757911.db2.gz QLLGYBBBYXMRHZ-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001085988163 1358939612 /nfs/dbraw/zinc/93/96/12/1358939612.db2.gz WRSIMOZBSOIFJZ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001085988163 1358939615 /nfs/dbraw/zinc/93/96/15/1358939615.db2.gz WRSIMOZBSOIFJZ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCCC1 ZINC001085988163 1358939617 /nfs/dbraw/zinc/93/96/17/1358939617.db2.gz WRSIMOZBSOIFJZ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCC(C)(C)C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986913 1358939739 /nfs/dbraw/zinc/93/97/39/1358939739.db2.gz PGLOERNHBWZUQT-GOSISDBHSA-N 2 1 345.531 3.331 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001086122386 1359002738 /nfs/dbraw/zinc/00/27/38/1359002738.db2.gz IZIFATPUVXVUOD-GNBUJSLZSA-N 2 1 343.515 3.025 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086175073 1359015382 /nfs/dbraw/zinc/01/53/82/1359015382.db2.gz GCIIJRJBQPLHQX-AQNXPRMDSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086216823 1359030697 /nfs/dbraw/zinc/03/06/97/1359030697.db2.gz AVBVZCKNAKJQFR-ZCNNSNEGSA-N 2 1 347.547 3.234 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001086364620 1359078493 /nfs/dbraw/zinc/07/84/93/1359078493.db2.gz LHCKXSQNHZZUQX-UFYCRDLUSA-N 2 1 349.563 3.314 20 0 EGADMP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001086503041 1359122389 /nfs/dbraw/zinc/12/23/89/1359122389.db2.gz ZSUJKPIZVFKBMQ-WTGUMLROSA-N 2 1 347.547 3.068 20 0 EGADMP O=C(NC[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001086717046 1359190831 /nfs/dbraw/zinc/19/08/31/1359190831.db2.gz DAPWYMUOHGYCHR-NLWGTHIKSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001086740342 1359193926 /nfs/dbraw/zinc/19/39/26/1359193926.db2.gz UYLSTYGNNCKXTD-ZCNNSNEGSA-N 2 1 349.563 3.172 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC001086850119 1359213491 /nfs/dbraw/zinc/21/34/91/1359213491.db2.gz RDHLDDISOBRFLW-ZCNNSNEGSA-N 2 1 349.563 3.316 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C[C@@H]2C)CC[NH+](CC(C)C)CC3)CC[N@H+]1C ZINC001086924758 1359250222 /nfs/dbraw/zinc/25/02/22/1359250222.db2.gz BCFAJFRXUDOZSX-GBESFXJTSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2=CCCCC2)CC[N@H+]1C ZINC001087168190 1359312393 /nfs/dbraw/zinc/31/23/93/1359312393.db2.gz YETXPSAOTOFOMN-IZBJGVDFSA-N 2 1 347.547 3.044 20 0 EGADMP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001087201558 1359319834 /nfs/dbraw/zinc/31/98/34/1359319834.db2.gz UNMAKYRHYPOYMN-HOJAQTOUSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CC1CCCCCC1 ZINC001087523084 1359509661 /nfs/dbraw/zinc/50/96/61/1359509661.db2.gz ITPWQXXNXPAPKH-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC1CCCCCC1 ZINC001087523084 1359509664 /nfs/dbraw/zinc/50/96/64/1359509664.db2.gz ITPWQXXNXPAPKH-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CC1CCCCCC1 ZINC001087523084 1359509666 /nfs/dbraw/zinc/50/96/66/1359509666.db2.gz ITPWQXXNXPAPKH-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@H+]1CC1CCCC1 ZINC001087567470 1359535030 /nfs/dbraw/zinc/53/50/30/1359535030.db2.gz QPKPGFWLIRRCAW-OTWHNJEPSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CC1CCCC1 ZINC001087567470 1359535033 /nfs/dbraw/zinc/53/50/33/1359535033.db2.gz QPKPGFWLIRRCAW-OTWHNJEPSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC[NH+]1CC1CCCC1 ZINC001087567470 1359535036 /nfs/dbraw/zinc/53/50/36/1359535036.db2.gz QPKPGFWLIRRCAW-OTWHNJEPSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1CCC1CC1 ZINC001087602561 1359550957 /nfs/dbraw/zinc/55/09/57/1359550957.db2.gz UPFMBPHAVXIARV-ZCNNSNEGSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1CCC1CC1 ZINC001087602561 1359550960 /nfs/dbraw/zinc/55/09/60/1359550960.db2.gz UPFMBPHAVXIARV-ZCNNSNEGSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1CCC1CC1 ZINC001087602561 1359550967 /nfs/dbraw/zinc/55/09/67/1359550967.db2.gz UPFMBPHAVXIARV-ZCNNSNEGSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CCC1CCCC1 ZINC001087640604 1359566825 /nfs/dbraw/zinc/56/68/25/1359566825.db2.gz MEHTVEGTIAQOSK-RBUKOAKNSA-N 2 1 347.547 3.164 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1CC1CC1 ZINC001087699479 1359598776 /nfs/dbraw/zinc/59/87/76/1359598776.db2.gz WCNJYTPYRHGQQM-ZCNNSNEGSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1CC1CC1 ZINC001087699479 1359598779 /nfs/dbraw/zinc/59/87/79/1359598779.db2.gz WCNJYTPYRHGQQM-ZCNNSNEGSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1CC1CC1 ZINC001087699479 1359598782 /nfs/dbraw/zinc/59/87/82/1359598782.db2.gz WCNJYTPYRHGQQM-ZCNNSNEGSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CC1CC(C)(C)C1 ZINC001087728182 1359614109 /nfs/dbraw/zinc/61/41/09/1359614109.db2.gz IMKJKBBROVQAHV-ZWKOTPCHSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC1CC(C)(C)C1 ZINC001087728182 1359614112 /nfs/dbraw/zinc/61/41/12/1359614112.db2.gz IMKJKBBROVQAHV-ZWKOTPCHSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CC1CC(C)(C)C1 ZINC001087728182 1359614115 /nfs/dbraw/zinc/61/41/15/1359614115.db2.gz IMKJKBBROVQAHV-ZWKOTPCHSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCCC1CCCC1 ZINC001087796895 1359650323 /nfs/dbraw/zinc/65/03/23/1359650323.db2.gz QDMAZQLMLHLODG-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCCC1CCCC1 ZINC001087796895 1359650328 /nfs/dbraw/zinc/65/03/28/1359650328.db2.gz QDMAZQLMLHLODG-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCCC1CCCC1 ZINC001087796895 1359650331 /nfs/dbraw/zinc/65/03/31/1359650331.db2.gz QDMAZQLMLHLODG-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@@H+](CC(=O)N1CCCCC[C@H]([NH2+]CC2CCCCC2)C1)C1CCC1 ZINC001088327017 1359831233 /nfs/dbraw/zinc/83/12/33/1359831233.db2.gz DCUKQZWKXOWTHF-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCCCC[C@H]([NH2+]CC2CC2)C1 ZINC001088327569 1359831487 /nfs/dbraw/zinc/83/14/87/1359831487.db2.gz QHROJFNSBIVYPJ-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001088382992 1359865235 /nfs/dbraw/zinc/86/52/35/1359865235.db2.gz RBVOTKDEBDAXTM-WMZOPIPTSA-N 2 1 349.544 3.093 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001088427393 1359895541 /nfs/dbraw/zinc/89/55/41/1359895541.db2.gz UXCJSBAYWKFUKP-IBGZPJMESA-N 2 1 344.503 3.053 20 0 EGADMP CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001088430988 1359898103 /nfs/dbraw/zinc/89/81/03/1359898103.db2.gz DDTWJFWEJGSXMD-UXHICEINSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)[C@@H]1C ZINC001088563395 1359974294 /nfs/dbraw/zinc/97/42/94/1359974294.db2.gz PBKGDUKOYSNCKJ-NZSAHSFTSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)[C@@H]1C ZINC001088563395 1359974302 /nfs/dbraw/zinc/97/43/02/1359974302.db2.gz PBKGDUKOYSNCKJ-NZSAHSFTSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)[C@@H]1C ZINC001088563395 1359974306 /nfs/dbraw/zinc/97/43/06/1359974306.db2.gz PBKGDUKOYSNCKJ-NZSAHSFTSA-N 2 1 335.536 3.019 20 0 EGADMP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@H]2C)cs1 ZINC001088563230 1359974758 /nfs/dbraw/zinc/97/47/58/1359974758.db2.gz ISNGSRWPAIUVRH-NJAFHUGGSA-N 2 1 349.544 3.008 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@H]2C)cs1 ZINC001088563230 1359974760 /nfs/dbraw/zinc/97/47/60/1359974760.db2.gz ISNGSRWPAIUVRH-NJAFHUGGSA-N 2 1 349.544 3.008 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@H]2C)cs1 ZINC001088563230 1359974761 /nfs/dbraw/zinc/97/47/61/1359974761.db2.gz ISNGSRWPAIUVRH-NJAFHUGGSA-N 2 1 349.544 3.008 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CC1CCC(C)CC1 ZINC001088939414 1360108182 /nfs/dbraw/zinc/10/81/82/1360108182.db2.gz OXRZGUAWUBHYFV-MLFFRYNPSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001088980587 1360123718 /nfs/dbraw/zinc/12/37/18/1360123718.db2.gz MICALNMAOLKOBQ-QRQLOZEOSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH+]1CC1CCC(C)(C)CC1 ZINC001088980587 1360123720 /nfs/dbraw/zinc/12/37/20/1360123720.db2.gz MICALNMAOLKOBQ-QRQLOZEOSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC1CCC(C)(C)CC1 ZINC001088980587 1360123723 /nfs/dbraw/zinc/12/37/23/1360123723.db2.gz MICALNMAOLKOBQ-QRQLOZEOSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)[C@@H]1C ZINC001089060807 1360153103 /nfs/dbraw/zinc/15/31/03/1360153103.db2.gz HRUFPHCIBXNGIP-HOJAQTOUSA-N 2 1 347.547 3.330 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)[C@@H]1C ZINC001089060807 1360153106 /nfs/dbraw/zinc/15/31/06/1360153106.db2.gz HRUFPHCIBXNGIP-HOJAQTOUSA-N 2 1 347.547 3.330 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)[C@@H]1C ZINC001089060807 1360153107 /nfs/dbraw/zinc/15/31/07/1360153107.db2.gz HRUFPHCIBXNGIP-HOJAQTOUSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC([N@@H+](CCC2CC2)CC2CC2)CC1)[NH+](C)C ZINC001323736536 1387438287 /nfs/dbraw/zinc/43/82/87/1387438287.db2.gz REAHUDNHUFRIOZ-HXUWFJFHSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCCCC1)[NH+](C)C ZINC001089191933 1360240647 /nfs/dbraw/zinc/24/06/47/1360240647.db2.gz IJJUQGCAYXWGHF-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCC2)CC(C)(C)C1 ZINC001089333628 1360347403 /nfs/dbraw/zinc/34/74/03/1360347403.db2.gz BMDNQPFJSGRHMR-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)CC(C)(C)C1 ZINC001089333628 1360347406 /nfs/dbraw/zinc/34/74/06/1360347406.db2.gz BMDNQPFJSGRHMR-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)CC(C)(C)C1 ZINC001089333628 1360347411 /nfs/dbraw/zinc/34/74/11/1360347411.db2.gz BMDNQPFJSGRHMR-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089429797 1360421962 /nfs/dbraw/zinc/42/19/62/1360421962.db2.gz FAAWNJUUPKUZNW-KRWDZBQOSA-N 2 1 342.487 3.211 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510338 1360481437 /nfs/dbraw/zinc/48/14/37/1360481437.db2.gz RIDPSHCJZUTBNT-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510336 1360481661 /nfs/dbraw/zinc/48/16/61/1360481661.db2.gz RIDPSHCJZUTBNT-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC1(C)C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+](CCC2CCCC2)C1 ZINC001089562549 1360510045 /nfs/dbraw/zinc/51/00/45/1360510045.db2.gz HOTSTITVIUJEPV-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCCC1CCC1 ZINC001089617114 1360537493 /nfs/dbraw/zinc/53/74/93/1360537493.db2.gz UNIVZSFFRZVJGO-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCC1CCC1 ZINC001089617114 1360537498 /nfs/dbraw/zinc/53/74/98/1360537498.db2.gz UNIVZSFFRZVJGO-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCC1CCC1 ZINC001089617114 1360537499 /nfs/dbraw/zinc/53/74/99/1360537499.db2.gz UNIVZSFFRZVJGO-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089639271 1360553523 /nfs/dbraw/zinc/55/35/23/1360553523.db2.gz RZQLOXZIEAJQRQ-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001089639271 1360553525 /nfs/dbraw/zinc/55/35/25/1360553525.db2.gz RZQLOXZIEAJQRQ-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001089639271 1360553527 /nfs/dbraw/zinc/55/35/27/1360553527.db2.gz RZQLOXZIEAJQRQ-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656566 1360568635 /nfs/dbraw/zinc/56/86/35/1360568635.db2.gz JZNOATZSDYDMCC-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089663854 1360574068 /nfs/dbraw/zinc/57/40/68/1360574068.db2.gz AEHFCZFFQOGQRQ-KRWDZBQOSA-N 2 1 342.487 3.211 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CCCC2CCC2)C1 ZINC001089732189 1360636200 /nfs/dbraw/zinc/63/62/00/1360636200.db2.gz OPNKANUVXAIUTM-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CCCC2CCC2)C1 ZINC001089732189 1360636206 /nfs/dbraw/zinc/63/62/06/1360636206.db2.gz OPNKANUVXAIUTM-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CCCC2CCC2)C1 ZINC001089732189 1360636210 /nfs/dbraw/zinc/63/62/10/1360636210.db2.gz OPNKANUVXAIUTM-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1C ZINC001092658329 1361434177 /nfs/dbraw/zinc/43/41/77/1361434177.db2.gz PNMPMHQLHIXZAW-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C ZINC001092658329 1361434181 /nfs/dbraw/zinc/43/41/81/1361434181.db2.gz PNMPMHQLHIXZAW-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C ZINC001092658329 1361434182 /nfs/dbraw/zinc/43/41/82/1361434182.db2.gz PNMPMHQLHIXZAW-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)[C@@H](C)C1 ZINC001184711133 1387515951 /nfs/dbraw/zinc/51/59/51/1387515951.db2.gz BPCUOLKSMZTJRG-HKUYNNGSSA-N 2 1 349.563 3.291 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001184711134 1387516302 /nfs/dbraw/zinc/51/63/02/1387516302.db2.gz BPCUOLKSMZTJRG-IEBWSBKVSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC([C@H]2[N@H+](C(C)C)CC23CCC3)CC1)[NH+](C)C ZINC001093373057 1361582476 /nfs/dbraw/zinc/58/24/76/1361582476.db2.gz IQPCEOZRONVGDI-RBUKOAKNSA-N 2 1 349.563 3.074 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC([C@H]2[N@H+](C(C)C)CC23CCC3)CC1)[NH+](C)C ZINC001093378020 1361588695 /nfs/dbraw/zinc/58/86/95/1361588695.db2.gz IQPCEOZRONVGDI-RTBURBONSA-N 2 1 349.563 3.074 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCCC1)CC2 ZINC001094380073 1361780155 /nfs/dbraw/zinc/78/01/55/1361780155.db2.gz LGLYRASIWPOZMD-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCCC1)CC2 ZINC001094380073 1361780158 /nfs/dbraw/zinc/78/01/58/1361780158.db2.gz LGLYRASIWPOZMD-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCCC1)CC2 ZINC001094380073 1361780161 /nfs/dbraw/zinc/78/01/61/1361780161.db2.gz LGLYRASIWPOZMD-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCC(C)(C)C)CC3)CC[N@H+]1C ZINC001094419944 1361794181 /nfs/dbraw/zinc/79/41/81/1361794181.db2.gz KGSPGEYQJMQNPA-NEYJZJCJSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCC(C)(C)C)CC3)CC[NH+]1C ZINC001094419944 1361794183 /nfs/dbraw/zinc/79/41/83/1361794183.db2.gz KGSPGEYQJMQNPA-NEYJZJCJSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCC(C)(C)C)CC3)CC[NH+]1C ZINC001094419944 1361794184 /nfs/dbraw/zinc/79/41/84/1361794184.db2.gz KGSPGEYQJMQNPA-NEYJZJCJSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC001094470691 1361817847 /nfs/dbraw/zinc/81/78/47/1361817847.db2.gz RHRHUMRLXDBTMZ-UYAOXDASSA-N 2 1 340.471 3.109 20 0 EGADMP CN(C)c1ncccc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001324104993 1387543400 /nfs/dbraw/zinc/54/34/00/1387543400.db2.gz DGEGUCOBLKJJTG-MAUKXSAKSA-N 2 1 344.528 3.382 20 0 EGADMP CN(C)c1ncccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001324104993 1387543402 /nfs/dbraw/zinc/54/34/02/1387543402.db2.gz DGEGUCOBLKJJTG-MAUKXSAKSA-N 2 1 344.528 3.382 20 0 EGADMP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001095415017 1362133097 /nfs/dbraw/zinc/13/30/97/1362133097.db2.gz ICLXOJONDCANJF-SQNIBIBYSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095912303 1362285073 /nfs/dbraw/zinc/28/50/73/1362285073.db2.gz QWPYMNQZSDQTSI-FYQPLNBISA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001095912303 1362285074 /nfs/dbraw/zinc/28/50/74/1362285074.db2.gz QWPYMNQZSDQTSI-FYQPLNBISA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001095912303 1362285076 /nfs/dbraw/zinc/28/50/76/1362285076.db2.gz QWPYMNQZSDQTSI-FYQPLNBISA-N 2 1 347.547 3.161 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCC2)CC[N@H+]1C ZINC001097721689 1363108701 /nfs/dbraw/zinc/10/87/01/1363108701.db2.gz TWFQPSJGGVFQGW-FLNBYBTLSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCC2)CC[NH+]1C ZINC001097721689 1363108703 /nfs/dbraw/zinc/10/87/03/1363108703.db2.gz TWFQPSJGGVFQGW-FLNBYBTLSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCC2)CC[NH+]1C ZINC001097721689 1363108705 /nfs/dbraw/zinc/10/87/05/1363108705.db2.gz TWFQPSJGGVFQGW-FLNBYBTLSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001097971926 1363184477 /nfs/dbraw/zinc/18/44/77/1363184477.db2.gz LEMHTVQZKOLNCX-MANSERQUSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)[NH+]1CCCCCC1 ZINC001097972409 1363184890 /nfs/dbraw/zinc/18/48/90/1363184890.db2.gz XCEVGJGIXNGMDY-NBYUQASBSA-N 2 1 347.547 3.163 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001098463960 1363332896 /nfs/dbraw/zinc/33/28/96/1363332896.db2.gz JBSLFWBFDDJSAV-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001098463960 1363332900 /nfs/dbraw/zinc/33/29/00/1363332900.db2.gz JBSLFWBFDDJSAV-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001098463960 1363332903 /nfs/dbraw/zinc/33/29/03/1363332903.db2.gz JBSLFWBFDDJSAV-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1)C1CCCC1 ZINC001098822025 1363482691 /nfs/dbraw/zinc/48/26/91/1363482691.db2.gz VUTXNWVEGJSLCH-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001098837439 1363487470 /nfs/dbraw/zinc/48/74/70/1363487470.db2.gz PTLOPGRSFSCKOQ-WFXMLNOXSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001098837439 1363487473 /nfs/dbraw/zinc/48/74/73/1363487473.db2.gz PTLOPGRSFSCKOQ-WFXMLNOXSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001098837439 1363487475 /nfs/dbraw/zinc/48/74/75/1363487475.db2.gz PTLOPGRSFSCKOQ-WFXMLNOXSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130296 1363642432 /nfs/dbraw/zinc/64/24/32/1363642432.db2.gz KFEXQKBDVFEJJH-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)CC ZINC001099130296 1363642435 /nfs/dbraw/zinc/64/24/35/1363642435.db2.gz KFEXQKBDVFEJJH-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001099130296 1363642438 /nfs/dbraw/zinc/64/24/38/1363642438.db2.gz KFEXQKBDVFEJJH-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP CC[C@H](C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130588 1363642546 /nfs/dbraw/zinc/64/25/46/1363642546.db2.gz PNDODULSECOXCU-IRXDYDNUSA-N 2 1 339.568 3.370 20 0 EGADMP CC[C@H](C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@H+](C)CC ZINC001099130588 1363642549 /nfs/dbraw/zinc/64/25/49/1363642549.db2.gz PNDODULSECOXCU-IRXDYDNUSA-N 2 1 339.568 3.370 20 0 EGADMP CC[C@H](C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001099130588 1363642551 /nfs/dbraw/zinc/64/25/51/1363642551.db2.gz PNDODULSECOXCU-IRXDYDNUSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099234019 1363705875 /nfs/dbraw/zinc/70/58/75/1363705875.db2.gz GBTODHPGSHLPED-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001099234019 1363705878 /nfs/dbraw/zinc/70/58/78/1363705878.db2.gz GBTODHPGSHLPED-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001099234019 1363705881 /nfs/dbraw/zinc/70/58/81/1363705881.db2.gz GBTODHPGSHLPED-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001099240918 1363709524 /nfs/dbraw/zinc/70/95/24/1363709524.db2.gz VQJMJLBUOUWLDO-PWBPZBFBSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001099240918 1363709528 /nfs/dbraw/zinc/70/95/28/1363709528.db2.gz VQJMJLBUOUWLDO-PWBPZBFBSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001099240918 1363709530 /nfs/dbraw/zinc/70/95/30/1363709530.db2.gz VQJMJLBUOUWLDO-PWBPZBFBSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CCCC2)C1 ZINC001099240516 1363709652 /nfs/dbraw/zinc/70/96/52/1363709652.db2.gz RYBBZDWCJJKHFM-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC2CCCC2)C1 ZINC001099240516 1363709655 /nfs/dbraw/zinc/70/96/55/1363709655.db2.gz RYBBZDWCJJKHFM-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC2CCCC2)C1 ZINC001099240516 1363709658 /nfs/dbraw/zinc/70/96/58/1363709658.db2.gz RYBBZDWCJJKHFM-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC ZINC001099269584 1363724449 /nfs/dbraw/zinc/72/44/49/1363724449.db2.gz AVHSBBOCBCGYKW-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099269584 1363724451 /nfs/dbraw/zinc/72/44/51/1363724451.db2.gz AVHSBBOCBCGYKW-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC ZINC001099269584 1363724454 /nfs/dbraw/zinc/72/44/54/1363724454.db2.gz AVHSBBOCBCGYKW-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001099258748 1363719209 /nfs/dbraw/zinc/71/92/09/1363719209.db2.gz TXZORXWZSDUFRZ-KRWDZBQOSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001099258748 1363719214 /nfs/dbraw/zinc/71/92/14/1363719214.db2.gz TXZORXWZSDUFRZ-KRWDZBQOSA-N 2 1 346.519 3.023 20 0 EGADMP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001099270260 1363725541 /nfs/dbraw/zinc/72/55/41/1363725541.db2.gz KBBQZEJMDYMHEM-GOSISDBHSA-N 2 1 348.535 3.379 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001099270260 1363725544 /nfs/dbraw/zinc/72/55/44/1363725544.db2.gz KBBQZEJMDYMHEM-GOSISDBHSA-N 2 1 348.535 3.379 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCCCF ZINC001099276734 1363727723 /nfs/dbraw/zinc/72/77/23/1363727723.db2.gz VYQBAOKBAOVVAX-KRWDZBQOSA-N 2 1 343.531 3.075 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC)c1ccccc1 ZINC001099304466 1363740377 /nfs/dbraw/zinc/74/03/77/1363740377.db2.gz QPDFAPHAKSZWLC-MOPGFXCFSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC)c1ccccc1 ZINC001099304466 1363740379 /nfs/dbraw/zinc/74/03/79/1363740379.db2.gz QPDFAPHAKSZWLC-MOPGFXCFSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC)c1ccccc1 ZINC001099304466 1363740383 /nfs/dbraw/zinc/74/03/83/1363740383.db2.gz QPDFAPHAKSZWLC-MOPGFXCFSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC)c1ccccc1 ZINC001099304466 1363740386 /nfs/dbraw/zinc/74/03/86/1363740386.db2.gz QPDFAPHAKSZWLC-MOPGFXCFSA-N 2 1 345.531 3.306 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099309249 1363742046 /nfs/dbraw/zinc/74/20/46/1363742046.db2.gz CAKNNNMVDPVFFC-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310429 1363742904 /nfs/dbraw/zinc/74/29/04/1363742904.db2.gz LXAOOJBYZFHXIT-SFHVURJKSA-N 2 1 337.552 3.291 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CCCC2)C1 ZINC001099311102 1363744947 /nfs/dbraw/zinc/74/49/47/1363744947.db2.gz XRBPONOGYXHHBH-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC2CCCC2)C1 ZINC001099311102 1363744951 /nfs/dbraw/zinc/74/49/51/1363744951.db2.gz XRBPONOGYXHHBH-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC2CCCC2)C1 ZINC001099311102 1363744958 /nfs/dbraw/zinc/74/49/58/1363744958.db2.gz XRBPONOGYXHHBH-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC[C@H](CNC(=O)CCCC[NH+]2CCCC2)[N@@H+](CC2CC2)C1 ZINC001099373898 1363778057 /nfs/dbraw/zinc/77/80/57/1363778057.db2.gz ZATKQPGKWAUFOV-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C(C)C)C1 ZINC001099525049 1363832154 /nfs/dbraw/zinc/83/21/54/1363832154.db2.gz OLPZBSBQQRGGGW-ZJOUEHCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001100333124 1364082125 /nfs/dbraw/zinc/08/21/25/1364082125.db2.gz XFBDAIAIEJAVCU-JLAWEPINSA-N 2 1 349.563 3.316 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC=C(C)C)C1 ZINC001100848172 1364289347 /nfs/dbraw/zinc/28/93/47/1364289347.db2.gz AGJDCYKYYHRILJ-ACBHZAAOSA-N 2 1 335.536 3.092 20 0 EGADMP CCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001100848263 1364289966 /nfs/dbraw/zinc/28/99/66/1364289966.db2.gz FCRQEAUAVUTBFA-ACBHZAAOSA-N 2 1 337.552 3.316 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001100898547 1364320515 /nfs/dbraw/zinc/32/05/15/1364320515.db2.gz MOXRRTQHFRDIKZ-UHFFFAOYSA-N 2 1 325.541 3.029 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]C2CC(CNC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001101037335 1364383775 /nfs/dbraw/zinc/38/37/75/1364383775.db2.gz ISHFERCFYUMXCD-LMDPOFIKSA-N 2 1 345.531 3.189 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101271739 1364493709 /nfs/dbraw/zinc/49/37/09/1364493709.db2.gz UTEYTAIQKUNYMC-SBHAEUEKSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101271739 1364493712 /nfs/dbraw/zinc/49/37/12/1364493712.db2.gz UTEYTAIQKUNYMC-SBHAEUEKSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101271739 1364493714 /nfs/dbraw/zinc/49/37/14/1364493714.db2.gz UTEYTAIQKUNYMC-SBHAEUEKSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001101287393 1364499505 /nfs/dbraw/zinc/49/95/05/1364499505.db2.gz JYPPOQLYDCGJGR-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@]2(C)C1 ZINC001101287393 1364499509 /nfs/dbraw/zinc/49/95/09/1364499509.db2.gz JYPPOQLYDCGJGR-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@]2(C)C1 ZINC001101287393 1364499511 /nfs/dbraw/zinc/49/95/11/1364499511.db2.gz JYPPOQLYDCGJGR-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001101336961 1364515347 /nfs/dbraw/zinc/51/53/47/1364515347.db2.gz WVXIWCLCIDVAMM-ZVDOUQERSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@]2(C)C1 ZINC001101336961 1364515349 /nfs/dbraw/zinc/51/53/49/1364515349.db2.gz WVXIWCLCIDVAMM-ZVDOUQERSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@]2(C)C1 ZINC001101336961 1364515353 /nfs/dbraw/zinc/51/53/53/1364515353.db2.gz WVXIWCLCIDVAMM-ZVDOUQERSA-N 2 1 349.563 3.079 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101381361 1364538336 /nfs/dbraw/zinc/53/83/36/1364538336.db2.gz NMQQNNTWTGJETB-SBHAEUEKSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001101381361 1364538337 /nfs/dbraw/zinc/53/83/37/1364538337.db2.gz NMQQNNTWTGJETB-SBHAEUEKSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001101381361 1364538338 /nfs/dbraw/zinc/53/83/38/1364538338.db2.gz NMQQNNTWTGJETB-SBHAEUEKSA-N 2 1 349.563 3.220 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101441212 1364565687 /nfs/dbraw/zinc/56/56/87/1364565687.db2.gz NWOKHZLSDHIENT-RXDZQLDNSA-N 2 1 349.563 3.245 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101441212 1364565690 /nfs/dbraw/zinc/56/56/90/1364565690.db2.gz NWOKHZLSDHIENT-RXDZQLDNSA-N 2 1 349.563 3.245 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@]2(C)C1 ZINC001101441212 1364565692 /nfs/dbraw/zinc/56/56/92/1364565692.db2.gz NWOKHZLSDHIENT-RXDZQLDNSA-N 2 1 349.563 3.245 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C(C)(C)C[NH2+]CC2CCC2)CC1 ZINC001101574100 1364628508 /nfs/dbraw/zinc/62/85/08/1364628508.db2.gz QZVHXSHSRRWRNI-KRWDZBQOSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001101580103 1364633201 /nfs/dbraw/zinc/63/32/01/1364633201.db2.gz JIEZWMYOYBCTNQ-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102045926 1364821677 /nfs/dbraw/zinc/82/16/77/1364821677.db2.gz CNDJTQMIQZLVKO-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051789 1364823258 /nfs/dbraw/zinc/82/32/58/1364823258.db2.gz MTUNCUXKJQXACZ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102051789 1364823260 /nfs/dbraw/zinc/82/32/60/1364823260.db2.gz MTUNCUXKJQXACZ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102051789 1364823262 /nfs/dbraw/zinc/82/32/62/1364823262.db2.gz MTUNCUXKJQXACZ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102190130 1364923901 /nfs/dbraw/zinc/92/39/01/1364923901.db2.gz SGKYFPJZDKKFAO-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102601751 1365131511 /nfs/dbraw/zinc/13/15/11/1365131511.db2.gz OPGONWGMVCGJEM-GUDVDZBRSA-N 2 1 345.531 3.080 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601751 1365131513 /nfs/dbraw/zinc/13/15/13/1365131513.db2.gz OPGONWGMVCGJEM-GUDVDZBRSA-N 2 1 345.531 3.080 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601751 1365131516 /nfs/dbraw/zinc/13/15/16/1365131516.db2.gz OPGONWGMVCGJEM-GUDVDZBRSA-N 2 1 345.531 3.080 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599082 1365131566 /nfs/dbraw/zinc/13/15/66/1365131566.db2.gz NYFVBBNOYUADMA-UYAOXDASSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001324669629 1387726569 /nfs/dbraw/zinc/72/65/69/1387726569.db2.gz PREJVRSTAKHNER-PXNSSMCTSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001324669629 1387726571 /nfs/dbraw/zinc/72/65/71/1387726571.db2.gz PREJVRSTAKHNER-PXNSSMCTSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001324669629 1387726576 /nfs/dbraw/zinc/72/65/76/1387726576.db2.gz PREJVRSTAKHNER-PXNSSMCTSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001103082353 1365369724 /nfs/dbraw/zinc/36/97/24/1365369724.db2.gz LPGLSJLQTHJEAO-AQNXPRMDSA-N 2 1 349.563 3.005 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103082353 1365369725 /nfs/dbraw/zinc/36/97/25/1365369725.db2.gz LPGLSJLQTHJEAO-AQNXPRMDSA-N 2 1 349.563 3.005 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103082353 1365369726 /nfs/dbraw/zinc/36/97/26/1365369726.db2.gz LPGLSJLQTHJEAO-AQNXPRMDSA-N 2 1 349.563 3.005 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103111821 1365387407 /nfs/dbraw/zinc/38/74/07/1365387407.db2.gz PVMDXPTZXMUUGT-QRVBRYPASA-N 2 1 339.568 3.083 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001103192203 1365428402 /nfs/dbraw/zinc/42/84/02/1365428402.db2.gz GAHIKFALZLKSNO-LZLYRXPVSA-N 2 1 342.487 3.068 20 0 EGADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001103550537 1365629496 /nfs/dbraw/zinc/62/94/96/1365629496.db2.gz VQPPSYINXFAYCO-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]CCC1CCCC1 ZINC001104355355 1365984132 /nfs/dbraw/zinc/98/41/32/1365984132.db2.gz YRLGMGDNPGCZAE-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)c1 ZINC001185731334 1387785897 /nfs/dbraw/zinc/78/58/97/1387785897.db2.gz RQSADOWFSJTDSE-IEBWSBKVSA-N 2 1 345.531 3.224 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C(C)C)C1 ZINC001104895958 1366213698 /nfs/dbraw/zinc/21/36/98/1366213698.db2.gz IDHSIYHZTFXQOU-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105517974 1366505340 /nfs/dbraw/zinc/50/53/40/1366505340.db2.gz NTYCPRDSVWVPCA-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001105539429 1366518962 /nfs/dbraw/zinc/51/89/62/1366518962.db2.gz FZMDYLPIUFSQDH-GUDVDZBRSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001105539818 1366518983 /nfs/dbraw/zinc/51/89/83/1366518983.db2.gz QHXIGDDKCKDTJO-QRVBRYPASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2C2(C[NH2+]CC)CCC2)C1 ZINC001105556950 1366529711 /nfs/dbraw/zinc/52/97/11/1366529711.db2.gz TUTHJWDSHNLIGD-OALUTQOASA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CCCC2)[C@H](C)C1 ZINC001106120064 1366612930 /nfs/dbraw/zinc/61/29/30/1366612930.db2.gz NOUYQFXFRSMYBL-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001106274729 1366640549 /nfs/dbraw/zinc/64/05/49/1366640549.db2.gz RLDCYTGFLZUVMA-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2ccccc2C)[C@H](C)C1 ZINC001106840167 1366813452 /nfs/dbraw/zinc/81/34/52/1366813452.db2.gz BIMASOPBRRJBAW-CEXWTWQISA-N 2 1 345.531 3.082 20 0 EGADMP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC=C(C)C)CC2)[NH+](CC)CC ZINC001107543956 1367034733 /nfs/dbraw/zinc/03/47/33/1367034733.db2.gz FVNKBUFWCIBFOH-SFHLNBCPSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(C)(C)C1)CC2)[NH+](C)C ZINC001107554875 1367040728 /nfs/dbraw/zinc/04/07/28/1367040728.db2.gz NQBSMAFXAMEZAM-WAOWUJCRSA-N 2 1 349.563 3.124 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107583272 1367057594 /nfs/dbraw/zinc/05/75/94/1367057594.db2.gz UDQCKMYPGUVGAJ-AUGFPLSNSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001107646430 1367090663 /nfs/dbraw/zinc/09/06/63/1367090663.db2.gz ITYRPMKLAYSSLX-SFHLNBCPSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3CC)CCC[C@@H]12 ZINC001107646430 1367090671 /nfs/dbraw/zinc/09/06/71/1367090671.db2.gz ITYRPMKLAYSSLX-SFHLNBCPSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3CC)CCC[C@@H]12 ZINC001107646430 1367090677 /nfs/dbraw/zinc/09/06/77/1367090677.db2.gz ITYRPMKLAYSSLX-SFHLNBCPSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109399516 1367104262 /nfs/dbraw/zinc/10/42/62/1367104262.db2.gz MRHPNRFZSDYUPI-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001109399516 1367104263 /nfs/dbraw/zinc/10/42/63/1367104263.db2.gz MRHPNRFZSDYUPI-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001109399516 1367104266 /nfs/dbraw/zinc/10/42/66/1367104266.db2.gz MRHPNRFZSDYUPI-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001189871796 1367121755 /nfs/dbraw/zinc/12/17/55/1367121755.db2.gz RCBOXGRGTSHIJB-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC(C)(C)CC1)[NH+](C)C ZINC001109447336 1367127284 /nfs/dbraw/zinc/12/72/84/1367127284.db2.gz HVFNQDVPONLYIQ-HCXYKTFWSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001109489471 1367155074 /nfs/dbraw/zinc/15/50/74/1367155074.db2.gz YWTZEBKDGCNHDY-NEWSRXKRSA-N 2 1 340.471 3.106 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001186067284 1387858044 /nfs/dbraw/zinc/85/80/44/1387858044.db2.gz CSPZGWGAZXMPOI-HPFMTEOYSA-N 2 1 346.519 3.334 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001109640317 1367258336 /nfs/dbraw/zinc/25/83/36/1367258336.db2.gz BAJSTVJTNCFPIF-OYSTVDSJSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001109640317 1367258341 /nfs/dbraw/zinc/25/83/41/1367258341.db2.gz BAJSTVJTNCFPIF-OYSTVDSJSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001109640317 1367258346 /nfs/dbraw/zinc/25/83/46/1367258346.db2.gz BAJSTVJTNCFPIF-OYSTVDSJSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCCC2)C1 ZINC001190483246 1367274446 /nfs/dbraw/zinc/27/44/46/1367274446.db2.gz QJLAWODXNZAGCI-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001190483246 1367274449 /nfs/dbraw/zinc/27/44/49/1367274449.db2.gz QJLAWODXNZAGCI-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001190483246 1367274458 /nfs/dbraw/zinc/27/44/58/1367274458.db2.gz QJLAWODXNZAGCI-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798760 1367329196 /nfs/dbraw/zinc/32/91/96/1367329196.db2.gz QWWKQWKTXBENIS-LMCOJAPRSA-N 2 1 349.563 3.122 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190743216 1367341352 /nfs/dbraw/zinc/34/13/52/1367341352.db2.gz IPAGLQUKLACJBK-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCCC(C)(C)C)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001190743216 1367341355 /nfs/dbraw/zinc/34/13/55/1367341355.db2.gz IPAGLQUKLACJBK-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCCC(C)(C)C)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001190743216 1367341358 /nfs/dbraw/zinc/34/13/58/1367341358.db2.gz IPAGLQUKLACJBK-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860229 1367363642 /nfs/dbraw/zinc/36/36/42/1367363642.db2.gz RDDVVULRSWWCEH-UEYHGWDDSA-N 2 1 349.563 3.431 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2ccccc2)C1 ZINC001190997116 1367398124 /nfs/dbraw/zinc/39/81/24/1367398124.db2.gz QZSWHINDFPPEAD-FUHWJXTLSA-N 2 1 331.504 3.011 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001190997116 1367398126 /nfs/dbraw/zinc/39/81/26/1367398126.db2.gz QZSWHINDFPPEAD-FUHWJXTLSA-N 2 1 331.504 3.011 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001190997116 1367398137 /nfs/dbraw/zinc/39/81/37/1367398137.db2.gz QZSWHINDFPPEAD-FUHWJXTLSA-N 2 1 331.504 3.011 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918650 1367403534 /nfs/dbraw/zinc/40/35/34/1367403534.db2.gz SYNHFVSRVNKDAD-ZOYAEOFMSA-N 2 1 347.547 3.185 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082178 1367420799 /nfs/dbraw/zinc/42/07/99/1367420799.db2.gz VFOOIQWJZVUBCB-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191082178 1367420803 /nfs/dbraw/zinc/42/08/03/1367420803.db2.gz VFOOIQWJZVUBCB-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191082178 1367420807 /nfs/dbraw/zinc/42/08/07/1367420807.db2.gz VFOOIQWJZVUBCB-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(C)C)c1ccccc1 ZINC001109968041 1367433370 /nfs/dbraw/zinc/43/33/70/1367433370.db2.gz XEPQXRJJTIZJHR-FYQPLNBISA-N 2 1 343.515 3.057 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(C)C)c1ccccc1 ZINC001109968041 1367433378 /nfs/dbraw/zinc/43/33/78/1367433378.db2.gz XEPQXRJJTIZJHR-FYQPLNBISA-N 2 1 343.515 3.057 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C)c1ccccc1 ZINC001109968041 1367433380 /nfs/dbraw/zinc/43/33/80/1367433380.db2.gz XEPQXRJJTIZJHR-FYQPLNBISA-N 2 1 343.515 3.057 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C)c1ccccc1 ZINC001109968041 1367433383 /nfs/dbraw/zinc/43/33/83/1367433383.db2.gz XEPQXRJJTIZJHR-FYQPLNBISA-N 2 1 343.515 3.057 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](C)CC(C)C ZINC001110017555 1367459891 /nfs/dbraw/zinc/45/98/91/1367459891.db2.gz BTDDESISKHJWNP-YRXWBPOGSA-N 2 1 337.552 3.122 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](C)CC(C)C ZINC001110017555 1367459894 /nfs/dbraw/zinc/45/98/94/1367459894.db2.gz BTDDESISKHJWNP-YRXWBPOGSA-N 2 1 337.552 3.122 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CC(C)C ZINC001110017555 1367459899 /nfs/dbraw/zinc/45/98/99/1367459899.db2.gz BTDDESISKHJWNP-YRXWBPOGSA-N 2 1 337.552 3.122 20 0 EGADMP CC1CC(C[N@@H+](C)[C@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001191542314 1367524482 /nfs/dbraw/zinc/52/44/82/1367524482.db2.gz GNCKUVNNMKMXQK-ACBHZAAOSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001192171844 1367707296 /nfs/dbraw/zinc/70/72/96/1367707296.db2.gz WZJNPLXLRCFXPE-FXAWDEMLSA-N 2 1 345.531 3.355 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192657060 1367843569 /nfs/dbraw/zinc/84/35/69/1367843569.db2.gz XIXXQFDBLDQBEG-ZYHOBAKYSA-N 2 1 335.536 3.140 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671360 1367846674 /nfs/dbraw/zinc/84/66/74/1367846674.db2.gz IVIQZVPREIIVMN-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192671360 1367846677 /nfs/dbraw/zinc/84/66/77/1367846677.db2.gz IVIQZVPREIIVMN-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192671360 1367846682 /nfs/dbraw/zinc/84/66/82/1367846682.db2.gz IVIQZVPREIIVMN-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CCC(C)(C)C)C2)cc1 ZINC001192849270 1367887683 /nfs/dbraw/zinc/88/76/83/1367887683.db2.gz ZXFUVFOMIKXGQE-IBGZPJMESA-N 2 1 345.531 3.331 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001110683087 1367925344 /nfs/dbraw/zinc/92/53/44/1367925344.db2.gz PUHHOXUPPQTTIS-MANSERQUSA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001110683087 1367925347 /nfs/dbraw/zinc/92/53/47/1367925347.db2.gz PUHHOXUPPQTTIS-MANSERQUSA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001110683087 1367925349 /nfs/dbraw/zinc/92/53/49/1367925349.db2.gz PUHHOXUPPQTTIS-MANSERQUSA-N 2 1 335.536 3.163 20 0 EGADMP C[C@]1(CO)CCC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001193209333 1367966726 /nfs/dbraw/zinc/96/67/26/1367966726.db2.gz FLMSQQKUDHHKLA-OAQYLSRUSA-N 2 1 330.516 3.178 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CCC2CCCCCC2)C1 ZINC001193289937 1367991146 /nfs/dbraw/zinc/99/11/46/1367991146.db2.gz BZKBMFMIRQFHJV-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CCC2CCCCCC2)C1 ZINC001193289937 1367991150 /nfs/dbraw/zinc/99/11/50/1367991150.db2.gz BZKBMFMIRQFHJV-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CCC2CCCCCC2)C1 ZINC001193289937 1367991156 /nfs/dbraw/zinc/99/11/56/1367991156.db2.gz BZKBMFMIRQFHJV-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424912 1368026997 /nfs/dbraw/zinc/02/69/97/1368026997.db2.gz RDYDCGMVACXXDD-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424912 1368027003 /nfs/dbraw/zinc/02/70/03/1368027003.db2.gz RDYDCGMVACXXDD-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193424912 1368027009 /nfs/dbraw/zinc/02/70/09/1368027009.db2.gz RDYDCGMVACXXDD-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CC1CCC(C[N@@H+](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001193569299 1368063508 /nfs/dbraw/zinc/06/35/08/1368063508.db2.gz AJFCUZFKBJCQBC-ACBHZAAOSA-N 2 1 337.552 3.077 20 0 EGADMP CCCc1ccc(C[NH+](C)[C@H]2CCN(C(=O)C[N@H+](C)CCC)C2)cc1 ZINC001193643318 1368082554 /nfs/dbraw/zinc/08/25/54/1368082554.db2.gz SLXDIESPBQYBDC-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCCc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)C[NH+](C)CCC)C2)cc1 ZINC001193643318 1368082562 /nfs/dbraw/zinc/08/25/62/1368082562.db2.gz SLXDIESPBQYBDC-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)C[NH+](C)CCC)C2)cc1 ZINC001193643318 1368082567 /nfs/dbraw/zinc/08/25/67/1368082567.db2.gz SLXDIESPBQYBDC-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001110947640 1368114440 /nfs/dbraw/zinc/11/44/40/1368114440.db2.gz SCHVTNBJYOUOSE-XOSQRHGKSA-N 2 1 347.547 3.185 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001110947640 1368114445 /nfs/dbraw/zinc/11/44/45/1368114445.db2.gz SCHVTNBJYOUOSE-XOSQRHGKSA-N 2 1 347.547 3.185 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001110947640 1368114447 /nfs/dbraw/zinc/11/44/47/1368114447.db2.gz SCHVTNBJYOUOSE-XOSQRHGKSA-N 2 1 347.547 3.185 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC2(CC2)CC1)[NH+](C)C ZINC001111037336 1368146324 /nfs/dbraw/zinc/14/63/24/1368146324.db2.gz XRIWTWSSOQBWTM-YRXWBPOGSA-N 2 1 347.547 3.019 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099440 1368157922 /nfs/dbraw/zinc/15/79/22/1368157922.db2.gz HEJRUIMBZWYDPJ-BNLAEDIXSA-N 2 1 347.547 3.186 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001111160276 1368170491 /nfs/dbraw/zinc/17/04/91/1368170491.db2.gz NMYIMPNEGXCPLZ-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1 ZINC001111160276 1368170492 /nfs/dbraw/zinc/17/04/92/1368170492.db2.gz NMYIMPNEGXCPLZ-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001111160276 1368170502 /nfs/dbraw/zinc/17/05/02/1368170502.db2.gz NMYIMPNEGXCPLZ-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274455 1368221055 /nfs/dbraw/zinc/22/10/55/1368221055.db2.gz IAYRJHYAUOGICL-KJYWSYJISA-N 2 1 343.515 3.178 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274455 1368221057 /nfs/dbraw/zinc/22/10/57/1368221057.db2.gz IAYRJHYAUOGICL-KJYWSYJISA-N 2 1 343.515 3.178 20 0 EGADMP CC(C)c1ccccc1C[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194292642 1368225053 /nfs/dbraw/zinc/22/50/53/1368225053.db2.gz BDYITSKBGNDGJL-IBGZPJMESA-N 2 1 345.531 3.183 20 0 EGADMP CC(C)c1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194292642 1368225058 /nfs/dbraw/zinc/22/50/58/1368225058.db2.gz BDYITSKBGNDGJL-IBGZPJMESA-N 2 1 345.531 3.183 20 0 EGADMP CC(C)c1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194292642 1368225065 /nfs/dbraw/zinc/22/50/65/1368225065.db2.gz BDYITSKBGNDGJL-IBGZPJMESA-N 2 1 345.531 3.183 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298561 1368257999 /nfs/dbraw/zinc/25/79/99/1368257999.db2.gz DJVGFYGJDCXQEU-MANSERQUSA-N 2 1 337.552 3.122 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1csc(C)c1 ZINC001111307227 1368261871 /nfs/dbraw/zinc/26/18/71/1368261871.db2.gz DNYYNAYCUCLKDG-KURKYZTESA-N 2 1 349.544 3.010 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1csc(C)c1 ZINC001111307227 1368261875 /nfs/dbraw/zinc/26/18/75/1368261875.db2.gz DNYYNAYCUCLKDG-KURKYZTESA-N 2 1 349.544 3.010 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1csc(C)c1 ZINC001111307227 1368261882 /nfs/dbraw/zinc/26/18/82/1368261882.db2.gz DNYYNAYCUCLKDG-KURKYZTESA-N 2 1 349.544 3.010 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCCC(C)(C)C)C3)C1 ZINC001111871085 1368518421 /nfs/dbraw/zinc/51/84/21/1368518421.db2.gz YZOVKUWEYNGONM-LQWHRVPQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCCC(C)(C)C)C3)C1 ZINC001111871085 1368518426 /nfs/dbraw/zinc/51/84/26/1368518426.db2.gz YZOVKUWEYNGONM-LQWHRVPQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCC(C)(C)C)C3)C1 ZINC001111871085 1368518427 /nfs/dbraw/zinc/51/84/27/1368518427.db2.gz YZOVKUWEYNGONM-LQWHRVPQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196155662 1368558922 /nfs/dbraw/zinc/55/89/22/1368558922.db2.gz QFLLPOASEUTJBY-PXDRNWIDSA-N 2 1 349.563 3.245 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001196155662 1368558927 /nfs/dbraw/zinc/55/89/27/1368558927.db2.gz QFLLPOASEUTJBY-PXDRNWIDSA-N 2 1 349.563 3.245 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001196155662 1368558931 /nfs/dbraw/zinc/55/89/31/1368558931.db2.gz QFLLPOASEUTJBY-PXDRNWIDSA-N 2 1 349.563 3.245 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001111921726 1368559554 /nfs/dbraw/zinc/55/95/54/1368559554.db2.gz ZSNMVNOKBUKLOG-FPOVZHCZSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001196276217 1368582228 /nfs/dbraw/zinc/58/22/28/1368582228.db2.gz VMFYLSANVIJDHP-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+](CCC2CCCCC2)CC1 ZINC001196339718 1368592200 /nfs/dbraw/zinc/59/22/00/1368592200.db2.gz CKLAKTOECNZBEQ-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001196339718 1368592204 /nfs/dbraw/zinc/59/22/04/1368592204.db2.gz CKLAKTOECNZBEQ-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCCN([C@H](C)c2cccc(F)c2)CC1 ZINC001196340126 1368592737 /nfs/dbraw/zinc/59/27/37/1368592737.db2.gz FAUVHIQAZBPREC-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC001196340126 1368592744 /nfs/dbraw/zinc/59/27/44/1368592744.db2.gz FAUVHIQAZBPREC-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+]([C@H](C)c2cccc(F)c2)CC1 ZINC001196340126 1368592748 /nfs/dbraw/zinc/59/27/48/1368592748.db2.gz FAUVHIQAZBPREC-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+]([C@H](C)c2cccc(F)c2)CC1 ZINC001196340126 1368592751 /nfs/dbraw/zinc/59/27/51/1368592751.db2.gz FAUVHIQAZBPREC-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388959 1368604491 /nfs/dbraw/zinc/60/44/91/1368604491.db2.gz XJPBTSGHYGISAM-YJJPMGAVSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001196388959 1368604496 /nfs/dbraw/zinc/60/44/96/1368604496.db2.gz XJPBTSGHYGISAM-YJJPMGAVSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001196388959 1368604504 /nfs/dbraw/zinc/60/45/04/1368604504.db2.gz XJPBTSGHYGISAM-YJJPMGAVSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112004282 1368607302 /nfs/dbraw/zinc/60/73/02/1368607302.db2.gz UHKVHYNNVBQDEF-RXVVDRJESA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@@H+](CC2CCCC2)CC1)C(C)C ZINC001197478564 1368823110 /nfs/dbraw/zinc/82/31/10/1368823110.db2.gz YIBGCUHNSILSNU-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001112401457 1368825595 /nfs/dbraw/zinc/82/55/95/1368825595.db2.gz FUKDERLTICAGAW-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC[N@@H+](CCCC(C)(C)C)CC2)CC1 ZINC001197545844 1368836790 /nfs/dbraw/zinc/83/67/90/1368836790.db2.gz SGRULRYYQOIARC-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001112432215 1368847931 /nfs/dbraw/zinc/84/79/31/1368847931.db2.gz YZXUPSXTAYZGIJ-YMAKWFKZSA-N 2 1 347.547 3.045 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001197843480 1368910933 /nfs/dbraw/zinc/91/09/33/1368910933.db2.gz TYJMMDYDDPFRKX-UHFFFAOYSA-N 2 1 346.519 3.122 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001197843480 1368910938 /nfs/dbraw/zinc/91/09/38/1368910938.db2.gz TYJMMDYDDPFRKX-UHFFFAOYSA-N 2 1 346.519 3.122 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197880337 1368919059 /nfs/dbraw/zinc/91/90/59/1368919059.db2.gz XILTXBFPTZGYAT-KRWDZBQOSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001197913964 1368923820 /nfs/dbraw/zinc/92/38/20/1368923820.db2.gz IRGJUNALGSMLCT-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[N@H+](CC2CCC(C)(C)CC2)CC1 ZINC001197913964 1368923823 /nfs/dbraw/zinc/92/38/23/1368923823.db2.gz IRGJUNALGSMLCT-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[N@@H+](CC2CCC(C)(C)CC2)CC1 ZINC001197913964 1368923828 /nfs/dbraw/zinc/92/38/28/1368923828.db2.gz IRGJUNALGSMLCT-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+]2CCCN(C(=O)C[N@H+](C)C(C)C)CC2)c1 ZINC001198283287 1368997742 /nfs/dbraw/zinc/99/77/42/1368997742.db2.gz SPLRCLSIRFXWJF-IBGZPJMESA-N 2 1 345.531 3.239 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@@H+]2CCCN(C(=O)C[NH+](C)C(C)C)CC2)c1 ZINC001198283287 1368997747 /nfs/dbraw/zinc/99/77/47/1368997747.db2.gz SPLRCLSIRFXWJF-IBGZPJMESA-N 2 1 345.531 3.239 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+]2CCCN(C(=O)C[NH+](C)C(C)C)CC2)c1 ZINC001198283287 1368997752 /nfs/dbraw/zinc/99/77/52/1368997752.db2.gz SPLRCLSIRFXWJF-IBGZPJMESA-N 2 1 345.531 3.239 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001112966164 1369113645 /nfs/dbraw/zinc/11/36/45/1369113645.db2.gz UPCOJOJGOORZBX-OVKVCFKUSA-N 2 1 335.536 3.140 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@H]2CCC[NH+](CC)CC2)CC1 ZINC001186605734 1387985479 /nfs/dbraw/zinc/98/54/79/1387985479.db2.gz SMWVFEPUOMBFLR-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@H+](CC)CC2)CC1 ZINC001186605734 1387985481 /nfs/dbraw/zinc/98/54/81/1387985481.db2.gz SMWVFEPUOMBFLR-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@@H+](CC)CC2)CC1 ZINC001186605734 1387985485 /nfs/dbraw/zinc/98/54/85/1387985485.db2.gz SMWVFEPUOMBFLR-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001200577605 1369392789 /nfs/dbraw/zinc/39/27/89/1369392789.db2.gz BGWHBLMCQRCQSV-MSOLQXFVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCCC(C)(C)C)CC2)CC[N@H+]1C ZINC001200644985 1369404764 /nfs/dbraw/zinc/40/47/64/1369404764.db2.gz WASBYCZRVSAIHH-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC001200813141 1369432967 /nfs/dbraw/zinc/43/29/67/1369432967.db2.gz VCOUEBNYFFZJJT-HUUCEWRRSA-N 2 1 338.879 3.464 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001200893539 1369444737 /nfs/dbraw/zinc/44/47/37/1369444737.db2.gz DUYDCQVHRGNIBB-OVKVCFKUSA-N 2 1 335.536 3.188 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001201044173 1369470737 /nfs/dbraw/zinc/47/07/37/1369470737.db2.gz QVHJTZXFOWBPAY-LIXSYLKWSA-N 2 1 349.563 3.291 20 0 EGADMP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](C[C@@H]2CC=CCC2)CC3)n1 ZINC001201417341 1369541852 /nfs/dbraw/zinc/54/18/52/1369541852.db2.gz SNJXUXZYWNDFFB-GOSISDBHSA-N 2 1 328.504 3.207 20 0 EGADMP Cn1ccc(C[N@H+]2CCCC23CC[NH+](C[C@@H]2CC=CCC2)CC3)n1 ZINC001201417341 1369541858 /nfs/dbraw/zinc/54/18/58/1369541858.db2.gz SNJXUXZYWNDFFB-GOSISDBHSA-N 2 1 328.504 3.207 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001201528256 1369566506 /nfs/dbraw/zinc/56/65/06/1369566506.db2.gz NRRQWCRWJBTQJA-UHFFFAOYSA-N 2 1 345.531 3.432 20 0 EGADMP COc1cc2c(cc1CN[C@@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)OCO2 ZINC001201947038 1369649431 /nfs/dbraw/zinc/64/94/31/1369649431.db2.gz QJAGLRWATMQSMX-LSDHHAIUSA-N 2 1 346.471 3.167 20 0 EGADMP COc1cc2c(cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C3CCC3)C1)OCO2 ZINC001201947038 1369649436 /nfs/dbraw/zinc/64/94/36/1369649436.db2.gz QJAGLRWATMQSMX-LSDHHAIUSA-N 2 1 346.471 3.167 20 0 EGADMP COc1cc2c(cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)OCO2 ZINC001201947038 1369649440 /nfs/dbraw/zinc/64/94/40/1369649440.db2.gz QJAGLRWATMQSMX-LSDHHAIUSA-N 2 1 346.471 3.167 20 0 EGADMP C[N@@H+](CC(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1)CC(C)(C)C ZINC001202538706 1369803074 /nfs/dbraw/zinc/80/30/74/1369803074.db2.gz ALOZPNPKGVMHAD-UHFFFAOYSA-N 2 1 339.568 3.371 20 0 EGADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CC4CCOCC4)CC[C@H]3C2)cc1 ZINC001202611018 1369823270 /nfs/dbraw/zinc/82/32/70/1369823270.db2.gz IHJFHPVRFVGOCC-SFTDATJTSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CC4CCOCC4)CC[C@H]3C2)cc1 ZINC001202611018 1369823277 /nfs/dbraw/zinc/82/32/77/1369823277.db2.gz IHJFHPVRFVGOCC-SFTDATJTSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CC4CCOCC4)CC[C@H]3C2)cc1 ZINC001202611018 1369823281 /nfs/dbraw/zinc/82/32/81/1369823281.db2.gz IHJFHPVRFVGOCC-SFTDATJTSA-N 2 1 328.500 3.257 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001114403118 1369933867 /nfs/dbraw/zinc/93/38/67/1369933867.db2.gz NGMWCCOFBOMEPQ-FEAWQNRXSA-N 2 1 347.547 3.042 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2C(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001114403118 1369933872 /nfs/dbraw/zinc/93/38/72/1369933872.db2.gz NGMWCCOFBOMEPQ-FEAWQNRXSA-N 2 1 347.547 3.042 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2C(NC(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001114403118 1369933874 /nfs/dbraw/zinc/93/38/74/1369933874.db2.gz NGMWCCOFBOMEPQ-FEAWQNRXSA-N 2 1 347.547 3.042 20 0 EGADMP CCC1(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)COC1 ZINC001202958654 1369936431 /nfs/dbraw/zinc/93/64/31/1369936431.db2.gz TXKGQWUTKCFAEC-IHPCNDPISA-N 2 1 343.515 3.041 20 0 EGADMP CCC1(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)COC1 ZINC001202958654 1369936438 /nfs/dbraw/zinc/93/64/38/1369936438.db2.gz TXKGQWUTKCFAEC-IHPCNDPISA-N 2 1 343.515 3.041 20 0 EGADMP CCC1(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)COC1 ZINC001202958654 1369936444 /nfs/dbraw/zinc/93/64/44/1369936444.db2.gz TXKGQWUTKCFAEC-IHPCNDPISA-N 2 1 343.515 3.041 20 0 EGADMP CCC1(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)COC1 ZINC001202958654 1369936449 /nfs/dbraw/zinc/93/64/49/1369936449.db2.gz TXKGQWUTKCFAEC-IHPCNDPISA-N 2 1 343.515 3.041 20 0 EGADMP FC(F)(F)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC001325742766 1388039083 /nfs/dbraw/zinc/03/90/83/1388039083.db2.gz HEHRSTPBCZGZPC-RBSFLKMASA-N 2 1 343.393 3.033 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203100878 1369983011 /nfs/dbraw/zinc/98/30/11/1369983011.db2.gz BCZZQYLDDPBMIJ-MSOLQXFVSA-N 2 1 347.547 3.234 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203102226 1369983511 /nfs/dbraw/zinc/98/35/11/1369983511.db2.gz HAJLWTXWEMGGPH-DSPBCKRPSA-N 2 1 335.536 3.090 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203104682 1369984784 /nfs/dbraw/zinc/98/47/84/1369984784.db2.gz SOSLGHIGSJBPMF-AQRBRUGDSA-N 2 1 349.563 3.480 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001114619272 1369998807 /nfs/dbraw/zinc/99/88/07/1369998807.db2.gz SXLHHKNZWCEYHT-BWTSREIZSA-N 2 1 349.563 3.125 20 0 EGADMP CCc1nc(C)c(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC001203246134 1370037850 /nfs/dbraw/zinc/03/78/50/1370037850.db2.gz CEXXABPSNVWWPW-GOSISDBHSA-N 2 1 326.488 3.234 20 0 EGADMP CCc1nc(C)c(CN2CCC([N@H+]3CCc4ccccc4C3)CC2)[nH]1 ZINC001203246146 1370037906 /nfs/dbraw/zinc/03/79/06/1370037906.db2.gz COAKRPPMFFSFJH-UHFFFAOYSA-N 2 1 338.499 3.303 20 0 EGADMP CCc1[nH]c(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)c(C)[nH+]1 ZINC001203246146 1370037910 /nfs/dbraw/zinc/03/79/10/1370037910.db2.gz COAKRPPMFFSFJH-UHFFFAOYSA-N 2 1 338.499 3.303 20 0 EGADMP CCc1[nH]c(CN2CCC([N@H+]3CCc4ccccc4C3)CC2)c(C)[nH+]1 ZINC001203246146 1370037914 /nfs/dbraw/zinc/03/79/14/1370037914.db2.gz COAKRPPMFFSFJH-UHFFFAOYSA-N 2 1 338.499 3.303 20 0 EGADMP Cn1cccc1C[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001203259886 1370047146 /nfs/dbraw/zinc/04/71/46/1370047146.db2.gz LYMYOIBFGXOJII-LJQANCHMSA-N 2 1 327.472 3.495 20 0 EGADMP COc1ccccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001203432566 1370124120 /nfs/dbraw/zinc/12/41/20/1370124120.db2.gz QZSUABFZOZGXEY-QUCCMNQESA-N 2 1 337.467 3.044 20 0 EGADMP COc1ccccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001203432566 1370124123 /nfs/dbraw/zinc/12/41/23/1370124123.db2.gz QZSUABFZOZGXEY-QUCCMNQESA-N 2 1 337.467 3.044 20 0 EGADMP COc1ccccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001203432566 1370124125 /nfs/dbraw/zinc/12/41/25/1370124125.db2.gz QZSUABFZOZGXEY-QUCCMNQESA-N 2 1 337.467 3.044 20 0 EGADMP COc1ccccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001203432566 1370124126 /nfs/dbraw/zinc/12/41/26/1370124126.db2.gz QZSUABFZOZGXEY-QUCCMNQESA-N 2 1 337.467 3.044 20 0 EGADMP CC[C@H]([NH2+]C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1)c1ccc(F)cc1 ZINC001203932890 1370320628 /nfs/dbraw/zinc/32/06/28/1370320628.db2.gz QLTCIIPXJAQZEF-IBGZPJMESA-N 2 1 349.494 3.198 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)cc1 ZINC001204265003 1370426220 /nfs/dbraw/zinc/42/62/20/1370426220.db2.gz ZXMRMFDMJDFFNF-QUCCMNQESA-N 2 1 332.488 3.018 20 0 EGADMP Cn1cncc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001204385456 1370462376 /nfs/dbraw/zinc/46/23/76/1370462376.db2.gz KFZTVAVMDZHIKK-KFKAGJAMSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cncc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001204385456 1370462379 /nfs/dbraw/zinc/46/23/79/1370462379.db2.gz KFZTVAVMDZHIKK-KFKAGJAMSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cncc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001204385456 1370462381 /nfs/dbraw/zinc/46/23/81/1370462381.db2.gz KFZTVAVMDZHIKK-KFKAGJAMSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cncc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001204385456 1370462383 /nfs/dbraw/zinc/46/23/83/1370462383.db2.gz KFZTVAVMDZHIKK-KFKAGJAMSA-N 2 1 344.528 3.214 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001204451700 1370480005 /nfs/dbraw/zinc/48/00/05/1370480005.db2.gz PTAXEEABRAJODY-UHFFFAOYSA-N 2 1 338.499 3.407 20 0 EGADMP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115535367 1370532489 /nfs/dbraw/zinc/53/24/89/1370532489.db2.gz SRKOZEAUXAIUKW-ROUUACIJSA-N 2 1 337.552 3.314 20 0 EGADMP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCCC1 ZINC001115544814 1370541769 /nfs/dbraw/zinc/54/17/69/1370541769.db2.gz CHBBGAAUYAUSCG-HMTUNPETSA-N 2 1 349.563 3.482 20 0 EGADMP Brc1cscc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735522 1370559540 /nfs/dbraw/zinc/55/95/40/1370559540.db2.gz WTLQJFOEVUFPLT-UHFFFAOYSA-N 2 1 329.307 3.476 20 0 EGADMP COC(=O)c1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001204742774 1370561855 /nfs/dbraw/zinc/56/18/55/1370561855.db2.gz UFNQKUOEZRYNRQ-UHFFFAOYSA-N 2 1 336.863 3.092 20 0 EGADMP Clc1cc(-n2ccnc2)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204741910 1370562100 /nfs/dbraw/zinc/56/21/00/1370562100.db2.gz FKDQCKZUMRTHOD-UHFFFAOYSA-N 2 1 344.890 3.491 20 0 EGADMP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204757212 1370568698 /nfs/dbraw/zinc/56/86/98/1370568698.db2.gz WNYPJYOIYQSGEC-OAQYLSRUSA-N 2 1 340.467 3.124 20 0 EGADMP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204757212 1370568702 /nfs/dbraw/zinc/56/87/02/1370568702.db2.gz WNYPJYOIYQSGEC-OAQYLSRUSA-N 2 1 340.467 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC1([NH2+]CC2CCC2)CCCCC1 ZINC001115571571 1370573967 /nfs/dbraw/zinc/57/39/67/1370573967.db2.gz FKILJVLROGRKKK-IBGZPJMESA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CCCCC1 ZINC001115571794 1370573992 /nfs/dbraw/zinc/57/39/92/1370573992.db2.gz PDZZAIBVZRUNFO-GOSISDBHSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC001115573645 1370576414 /nfs/dbraw/zinc/57/64/14/1370576414.db2.gz SDOLIRVNRXBNEB-KRWDZBQOSA-N 2 1 344.503 3.135 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCCC1 ZINC001115591781 1370592427 /nfs/dbraw/zinc/59/24/27/1370592427.db2.gz DMQSXNBLJWPDMI-ZWKOTPCHSA-N 2 1 335.536 3.068 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC001205059707 1370639863 /nfs/dbraw/zinc/63/98/63/1370639863.db2.gz BPSCVUFBGKUQFP-UHFFFAOYSA-N 2 1 342.430 3.460 20 0 EGADMP COC(=O)c1ccc(-c2cccc(C[N@H+]3C[C@H](C)[C@H](C[NH3+])C3)c2)cc1 ZINC001205150699 1370663509 /nfs/dbraw/zinc/66/35/09/1370663509.db2.gz HXUGQDZDBSOLRH-MGPUTAFESA-N 2 1 338.451 3.167 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2([NH2+]CC=C(C)C)CCCCC2)C1 ZINC001115688109 1370670827 /nfs/dbraw/zinc/67/08/27/1370670827.db2.gz LNTDVOXYGUZUIR-IBGZPJMESA-N 2 1 349.563 3.483 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205242964 1370692903 /nfs/dbraw/zinc/69/29/03/1370692903.db2.gz XIXIIFSIIMHUBC-IBGZPJMESA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205242400 1370693074 /nfs/dbraw/zinc/69/30/74/1370693074.db2.gz OGJZYSINQAXTHR-YJJPMGAVSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205285657 1370706987 /nfs/dbraw/zinc/70/69/87/1370706987.db2.gz ZXYHXRXZWUDUTA-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[N@@H+](CCCc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC001205295641 1370710438 /nfs/dbraw/zinc/71/04/38/1370710438.db2.gz AXGHOHVVFHDRFS-DZGCQCFKSA-N 2 1 325.294 3.298 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115730876 1370713946 /nfs/dbraw/zinc/71/39/46/1370713946.db2.gz SVKXLVGCENBAMA-MJGOQNOKSA-N 2 1 347.547 3.093 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c2c(OC)cccc12 ZINC001205303841 1370714409 /nfs/dbraw/zinc/71/44/09/1370714409.db2.gz LLJMATNRGPCIDA-GOEBONIOSA-N 2 1 328.456 3.274 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc3cc(Br)ccc3[nH]2)C[C@H]1C[NH3+] ZINC001205303974 1370714423 /nfs/dbraw/zinc/71/44/23/1370714423.db2.gz MAZNXFOTWHLVCH-WCQYABFASA-N 2 1 336.277 3.347 20 0 EGADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cccc2cc(Br)cnc21 ZINC001205332797 1370724387 /nfs/dbraw/zinc/72/43/87/1370724387.db2.gz SWSBTFOHPFZTDB-LBPRGKRZSA-N 2 1 334.261 3.181 20 0 EGADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccc2cc(Br)cnc21 ZINC001205332797 1370724391 /nfs/dbraw/zinc/72/43/91/1370724391.db2.gz SWSBTFOHPFZTDB-LBPRGKRZSA-N 2 1 334.261 3.181 20 0 EGADMP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2cnc[nH]2)CCCCC1 ZINC001115765898 1370750285 /nfs/dbraw/zinc/75/02/85/1370750285.db2.gz KYCGXIUISVVCFP-BDUNBXCCSA-N 2 1 346.519 3.353 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001115768922 1370753620 /nfs/dbraw/zinc/75/36/20/1370753620.db2.gz NHLPATATVYXDBN-RBUKOAKNSA-N 2 1 349.563 3.458 20 0 EGADMP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001205526140 1370781747 /nfs/dbraw/zinc/78/17/47/1370781747.db2.gz GPDFEWQDVPQFNB-VOFKWLDRSA-N 2 1 335.536 3.045 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001205545641 1370786591 /nfs/dbraw/zinc/78/65/91/1370786591.db2.gz KZSSKUKOWACVMO-PMACEKPBSA-N 2 1 333.495 3.052 20 0 EGADMP [NH3+]C[C@]1(F)CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001205545641 1370786598 /nfs/dbraw/zinc/78/65/98/1370786598.db2.gz KZSSKUKOWACVMO-PMACEKPBSA-N 2 1 333.495 3.052 20 0 EGADMP [NH3+]C[C@]1(F)CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001205545641 1370786600 /nfs/dbraw/zinc/78/66/00/1370786600.db2.gz KZSSKUKOWACVMO-PMACEKPBSA-N 3 1 333.495 3.052 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001205545641 1370786606 /nfs/dbraw/zinc/78/66/06/1370786606.db2.gz KZSSKUKOWACVMO-PMACEKPBSA-N 2 1 333.495 3.052 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001205545641 1370786609 /nfs/dbraw/zinc/78/66/09/1370786609.db2.gz KZSSKUKOWACVMO-PMACEKPBSA-N 2 1 333.495 3.052 20 0 EGADMP CCC/C=C/CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCCCC1 ZINC001115805682 1370789017 /nfs/dbraw/zinc/78/90/17/1370789017.db2.gz BFIRVQVAOQTIMP-BQYQJAHWSA-N 2 1 337.552 3.483 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)CC1 ZINC001205570016 1370794452 /nfs/dbraw/zinc/79/44/52/1370794452.db2.gz COFYWWORYCQZGD-AWEZNQCLSA-N 2 1 338.320 3.377 20 0 EGADMP Cc1cccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1Br ZINC001205570507 1370795459 /nfs/dbraw/zinc/79/54/59/1370795459.db2.gz KSNFHHVLIOFSIF-OAHLLOKOSA-N 2 1 329.257 3.410 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CC1 ZINC001205578613 1370798965 /nfs/dbraw/zinc/79/89/65/1370798965.db2.gz GYRMSYPASNXGSB-QGZVFWFLSA-N 2 1 338.377 3.008 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1Br ZINC001205592548 1370803415 /nfs/dbraw/zinc/80/34/15/1370803415.db2.gz VYSMHIAVPJMNFI-HNNXBMFYSA-N 2 1 345.256 3.111 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1 ZINC001205602241 1370806409 /nfs/dbraw/zinc/80/64/09/1370806409.db2.gz HVVMSLPBXNLJCZ-LPHOPBHVSA-N 2 1 332.488 3.103 20 0 EGADMP CCOC(=O)c1[nH]c2ccccc2c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205617761 1370812468 /nfs/dbraw/zinc/81/24/68/1370812468.db2.gz NEKLTTRBMSPJLH-LSDHHAIUSA-N 2 1 343.471 3.151 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c(F)cccc2Br)CC[C@H]1C[NH3+] ZINC001205617924 1370813230 /nfs/dbraw/zinc/81/32/30/1370813230.db2.gz PGNSKKDUINDFFQ-RYUDHWBXSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC3CCOCC3)cc2)CC[C@@H]1C[NH3+] ZINC001205626345 1370816489 /nfs/dbraw/zinc/81/64/89/1370816489.db2.gz GCHFYGQFROKOPK-FUHWJXTLSA-N 2 1 332.488 3.051 20 0 EGADMP Cc1nc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(Br)s1 ZINC001205638041 1370821928 /nfs/dbraw/zinc/82/19/28/1370821928.db2.gz KOPDSJFPYNFFHV-MWLCHTKSSA-N 2 1 332.311 3.021 20 0 EGADMP Cc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(Br)s1 ZINC001205638041 1370821933 /nfs/dbraw/zinc/82/19/33/1370821933.db2.gz KOPDSJFPYNFFHV-MWLCHTKSSA-N 2 1 332.311 3.021 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cc(Br)ncc2Cl)CC[C@@H]1C[NH3+] ZINC001205639059 1370823555 /nfs/dbraw/zinc/82/35/55/1370823555.db2.gz VJIHGTBWGNGBAG-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc(Br)ncc2Cl)CC[C@@H]1C[NH3+] ZINC001205639059 1370823558 /nfs/dbraw/zinc/82/35/58/1370823558.db2.gz VJIHGTBWGNGBAG-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2NC(=O)C(C)(C)C)CC[C@H]1C[NH3+] ZINC001205651733 1370828440 /nfs/dbraw/zinc/82/84/40/1370828440.db2.gz ISXZKGSXXNJTHA-CVEARBPZSA-N 2 1 331.504 3.478 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ncc(Cl)cc2Br)CC[C@@H]1C[NH3+] ZINC001205651520 1370828512 /nfs/dbraw/zinc/82/85/12/1370828512.db2.gz GDCKMYHZBVMBOS-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ncc(Cl)cc2Br)CC[C@@H]1C[NH3+] ZINC001205651520 1370828521 /nfs/dbraw/zinc/82/85/21/1370828521.db2.gz GDCKMYHZBVMBOS-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2NC(=O)C(C)(C)C)CC[C@H]1C[NH3+] ZINC001205651734 1370828815 /nfs/dbraw/zinc/82/88/15/1370828815.db2.gz ISXZKGSXXNJTHA-HOTGVXAUSA-N 2 1 331.504 3.478 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2nc(C)cs2)[C@@H](C)C1 ZINC001116294540 1370880597 /nfs/dbraw/zinc/88/05/97/1370880597.db2.gz KBYIAJJRCFOTLV-RDJZCZTQSA-N 2 1 339.549 3.111 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1c(Br)[nH]c2ccccc21 ZINC001205913108 1370908752 /nfs/dbraw/zinc/90/87/52/1370908752.db2.gz HABQAMVFRLOPDN-VXGBXAGGSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c(Br)[nH]c2ccccc21 ZINC001205913108 1370908756 /nfs/dbraw/zinc/90/87/56/1370908756.db2.gz HABQAMVFRLOPDN-VXGBXAGGSA-N 2 1 336.277 3.490 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205995850 1370932920 /nfs/dbraw/zinc/93/29/20/1370932920.db2.gz RCKKAOGDMZRWAC-YJBOKZPZSA-N 2 1 326.488 3.296 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc(Br)ccc2F)CCC[C@H]1C[NH3+] ZINC001205994028 1370933010 /nfs/dbraw/zinc/93/30/10/1370933010.db2.gz ITVUVBRJPMGAOT-RYUDHWBXSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(Br)nc2Cl)CCC[C@@H]1C[NH3+] ZINC001206004138 1370935427 /nfs/dbraw/zinc/93/54/27/1370935427.db2.gz QQKCRPHNLNAYRE-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc(OCc3ccccc3)no2)CCC[C@H]1C[NH3+] ZINC001206012100 1370938276 /nfs/dbraw/zinc/93/82/76/1370938276.db2.gz ITYYOPVQWASEIV-WBVHZDCISA-N 2 1 329.444 3.060 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206012038 1370938467 /nfs/dbraw/zinc/93/84/67/1370938467.db2.gz IDOQGGNAIYOTRO-OLZOCXBDSA-N 2 1 346.393 3.401 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1OC(F)(F)F ZINC001206011497 1370938542 /nfs/dbraw/zinc/93/85/42/1370938542.db2.gz CVSJXKOKGROQST-GXTWGEPZSA-N 2 1 346.393 3.401 20 0 EGADMP Cc1cc(Br)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1O ZINC001206021594 1370940092 /nfs/dbraw/zinc/94/00/92/1370940092.db2.gz AJRVUNDXJZVOPB-CHWSQXEVSA-N 2 1 341.293 3.270 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2Br)CCC[C@@H]1C[NH3+] ZINC001206026846 1370942430 /nfs/dbraw/zinc/94/24/30/1370942430.db2.gz UJASRDSXGXPOCU-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]CCCC3CCCC3)CC2)C1 ZINC001206275253 1371009630 /nfs/dbraw/zinc/00/96/30/1371009630.db2.gz QOSLCDNEOFQXFP-SFHVURJKSA-N 2 1 349.563 3.127 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[NH2+]C[C@@H](C)C3)cc2)cc1 ZINC001206284627 1371012176 /nfs/dbraw/zinc/01/21/76/1371012176.db2.gz FHBVFIINSUWAHI-MRXNPFEDSA-N 2 1 338.451 3.182 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[NH2+]C[C@@H](C)C3)cc2)cc1 ZINC001206284627 1371012180 /nfs/dbraw/zinc/01/21/80/1371012180.db2.gz FHBVFIINSUWAHI-MRXNPFEDSA-N 2 1 338.451 3.182 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[NH2+]C[C@H](C)C3)cc2)cc1 ZINC001206284618 1371012280 /nfs/dbraw/zinc/01/22/80/1371012280.db2.gz FHBVFIINSUWAHI-INIZCTEOSA-N 2 1 338.451 3.182 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[NH2+]C[C@H](C)C3)cc2)cc1 ZINC001206284618 1371012284 /nfs/dbraw/zinc/01/22/84/1371012284.db2.gz FHBVFIINSUWAHI-INIZCTEOSA-N 2 1 338.451 3.182 20 0 EGADMP CS[C@H]1CC[C@@H]([N@@H+](C)CCCN2CCN(c3ccccc3)CC2)C1 ZINC001117133974 1371013927 /nfs/dbraw/zinc/01/39/27/1371013927.db2.gz RYVNAMXLWKMJOT-UXHICEINSA-N 2 1 347.572 3.415 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(OC3CCOCC3)cc2)CC1 ZINC001206310880 1371018062 /nfs/dbraw/zinc/01/80/62/1371018062.db2.gz DVHNXLRKUWDOMI-HXUWFJFHSA-N 2 1 332.488 3.195 20 0 EGADMP Cc1nc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c(Br)s1 ZINC001206317019 1371018872 /nfs/dbraw/zinc/01/88/72/1371018872.db2.gz AYROTLINBZJGSA-ZDUSSCGKSA-N 2 1 332.311 3.165 20 0 EGADMP Cc1nc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(Br)s1 ZINC001206317019 1371018881 /nfs/dbraw/zinc/01/88/81/1371018881.db2.gz AYROTLINBZJGSA-ZDUSSCGKSA-N 2 1 332.311 3.165 20 0 EGADMP Cc1cncc(Br)c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206324448 1371022538 /nfs/dbraw/zinc/02/25/38/1371022538.db2.gz BQDJLNLEUYFWNK-OAHLLOKOSA-N 2 1 326.282 3.103 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1Br ZINC001206326849 1371023631 /nfs/dbraw/zinc/02/36/31/1371023631.db2.gz PTKVUCHFTAQZOG-INIZCTEOSA-N 2 1 341.293 3.409 20 0 EGADMP Cn1nccc1CN1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001206338175 1371027101 /nfs/dbraw/zinc/02/71/01/1371027101.db2.gz XLNNGCONXPFHJP-ZYSHUDEJSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1nccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001206338175 1371027105 /nfs/dbraw/zinc/02/71/05/1371027105.db2.gz XLNNGCONXPFHJP-ZYSHUDEJSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1nccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001206338175 1371027109 /nfs/dbraw/zinc/02/71/09/1371027109.db2.gz XLNNGCONXPFHJP-ZYSHUDEJSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1nccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001206338175 1371027112 /nfs/dbraw/zinc/02/71/12/1371027112.db2.gz XLNNGCONXPFHJP-ZYSHUDEJSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1nccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001206338175 1371027115 /nfs/dbraw/zinc/02/71/15/1371027115.db2.gz XLNNGCONXPFHJP-ZYSHUDEJSA-N 2 1 344.528 3.214 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H]1C ZINC001117714880 1371067510 /nfs/dbraw/zinc/06/75/10/1371067510.db2.gz PGDFKDASJQOBSL-YSIASYRMSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC001117714880 1371067513 /nfs/dbraw/zinc/06/75/13/1371067513.db2.gz PGDFKDASJQOBSL-YSIASYRMSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC001117714880 1371067521 /nfs/dbraw/zinc/06/75/21/1371067521.db2.gz PGDFKDASJQOBSL-YSIASYRMSA-N 2 1 343.515 3.030 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)C1 ZINC001117749017 1371074082 /nfs/dbraw/zinc/07/40/82/1371074082.db2.gz ULOLRSAFPAFZNV-IAGOWNOFSA-N 2 1 345.487 3.416 20 0 EGADMP Cc1cc(C[NH+]2CCC(CC[NH3+])CC2)c(F)cc1Br ZINC001206506618 1371076699 /nfs/dbraw/zinc/07/66/99/1371076699.db2.gz HMLNVGWELOSJMW-UHFFFAOYSA-N 2 1 329.257 3.457 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206547544 1371090249 /nfs/dbraw/zinc/09/02/49/1371090249.db2.gz HVTQNJOMSVNVPS-QZPVUJMKSA-N 2 1 347.547 3.188 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206547576 1371090367 /nfs/dbraw/zinc/09/03/67/1371090367.db2.gz JKXZXDNWZYDMJV-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(-n3cccn3)cc2Cl)C1 ZINC001206563737 1371094086 /nfs/dbraw/zinc/09/40/86/1371094086.db2.gz IECOMSBZQRMIGT-SFHVURJKSA-N 2 1 332.879 3.477 20 0 EGADMP CCOc1ncc(Cl)cc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206597365 1371104328 /nfs/dbraw/zinc/10/43/28/1371104328.db2.gz BCTAIZHMACZSQP-MRXNPFEDSA-N 2 1 325.884 3.486 20 0 EGADMP CCOc1ncc(Cl)cc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206597365 1371104330 /nfs/dbraw/zinc/10/43/30/1371104330.db2.gz BCTAIZHMACZSQP-MRXNPFEDSA-N 2 1 325.884 3.486 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc3cc(Br)ccc3[nH]2)C1 ZINC001206624639 1371112591 /nfs/dbraw/zinc/11/25/91/1371112591.db2.gz XYDORJNGNOVXAJ-LBPRGKRZSA-N 2 1 336.277 3.491 20 0 EGADMP COc1ccc(-c2ccncc2)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206648643 1371119451 /nfs/dbraw/zinc/11/94/51/1371119451.db2.gz NYTIFBHCITWCMM-MRXNPFEDSA-N 2 1 325.456 3.318 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118263135 1371153586 /nfs/dbraw/zinc/15/35/86/1371153586.db2.gz AYEOGCFSZZAMAK-IBGZPJMESA-N 2 1 343.515 3.062 20 0 EGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1c[nH]c2cccc(Br)c12 ZINC001206769316 1371158858 /nfs/dbraw/zinc/15/88/58/1371158858.db2.gz OJQHHEHSIARIDK-VXGBXAGGSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1c[nH]c2cccc(Br)c12 ZINC001206769316 1371158862 /nfs/dbraw/zinc/15/88/62/1371158862.db2.gz OJQHHEHSIARIDK-VXGBXAGGSA-N 2 1 336.277 3.490 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206770424 1371159340 /nfs/dbraw/zinc/15/93/40/1371159340.db2.gz SARBSWQTPPRWHK-HUUCEWRRSA-N 2 1 343.471 3.212 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206770424 1371159346 /nfs/dbraw/zinc/15/93/46/1371159346.db2.gz SARBSWQTPPRWHK-HUUCEWRRSA-N 2 1 343.471 3.212 20 0 EGADMP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1c[nH]c2c1cccc2Br ZINC001206771325 1371159789 /nfs/dbraw/zinc/15/97/89/1371159789.db2.gz VZDBCHJITYAMRM-NWDGAFQWSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1c[nH]c2c1cccc2Br ZINC001206771325 1371159794 /nfs/dbraw/zinc/15/97/94/1371159794.db2.gz VZDBCHJITYAMRM-NWDGAFQWSA-N 2 1 336.277 3.490 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001206952523 1371243998 /nfs/dbraw/zinc/24/39/98/1371243998.db2.gz SGMKCJICCLAQOE-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP c1csc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ncccn2)CC3)c1 ZINC001207012140 1371266963 /nfs/dbraw/zinc/26/69/63/1371266963.db2.gz FADQSLFXSPGXTL-UHFFFAOYSA-N 2 1 342.512 3.416 20 0 EGADMP Cc1cnc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001207082133 1371288473 /nfs/dbraw/zinc/28/84/73/1371288473.db2.gz GIYZQUJGPQOUIL-WOJBJXKFSA-N 2 1 336.483 3.129 20 0 EGADMP Cc1cnc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001207082133 1371288477 /nfs/dbraw/zinc/28/84/77/1371288477.db2.gz GIYZQUJGPQOUIL-WOJBJXKFSA-N 2 1 336.483 3.129 20 0 EGADMP Cc1cnc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001207082133 1371288479 /nfs/dbraw/zinc/28/84/79/1371288479.db2.gz GIYZQUJGPQOUIL-WOJBJXKFSA-N 2 1 336.483 3.129 20 0 EGADMP CCc1ccccc1NC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001187610747 1388130016 /nfs/dbraw/zinc/13/00/16/1388130016.db2.gz FQFKHANZDFEMJN-UHFFFAOYSA-N 2 1 339.443 3.040 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1C[C@H]2CCC[C@@]2(COc2cccnc2)C1 ZINC001207281038 1371349098 /nfs/dbraw/zinc/34/90/98/1371349098.db2.gz ZAFURXXXQRAIKR-XLIONFOSSA-N 2 1 331.504 3.150 20 0 EGADMP C[NH+](C)CC(C)(C)CN1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001207288276 1371351452 /nfs/dbraw/zinc/35/14/52/1371351452.db2.gz MMYXBCULNVJDDW-UHFFFAOYSA-N 2 1 335.511 3.310 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)CC(C)(C)C[NH+](C)C ZINC001207288852 1371351751 /nfs/dbraw/zinc/35/17/51/1371351751.db2.gz VZCITUIKGIZYGW-ICSRJNTNSA-N 2 1 331.548 3.417 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC[C@@]1(C)O ZINC001207288051 1371351949 /nfs/dbraw/zinc/35/19/49/1371351949.db2.gz ZLLHNCYFYYKALW-WIYYLYMNSA-N 2 1 330.516 3.382 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001207399190 1371383925 /nfs/dbraw/zinc/38/39/25/1371383925.db2.gz HBSMZJDMAKHQDY-QAQDUYKDSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+]1CCC(C[N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)CC1 ZINC001207399203 1371384078 /nfs/dbraw/zinc/38/40/78/1371384078.db2.gz HTOKQAUWPFQMLJ-SQNIBIBYSA-N 2 1 336.520 3.303 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)CC1 ZINC001207397486 1371384120 /nfs/dbraw/zinc/38/41/20/1371384120.db2.gz MJUUTRMFXQWKHM-NRFANRHFSA-N 2 1 345.506 3.208 20 0 EGADMP C[NH+]1CCC(CN2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)CC1 ZINC001207397486 1371384123 /nfs/dbraw/zinc/38/41/23/1371384123.db2.gz MJUUTRMFXQWKHM-NRFANRHFSA-N 2 1 345.506 3.208 20 0 EGADMP C[NH+]1CCC(CN2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)CC1 ZINC001207397486 1371384129 /nfs/dbraw/zinc/38/41/29/1371384129.db2.gz MJUUTRMFXQWKHM-NRFANRHFSA-N 2 1 345.506 3.208 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](N(Cc3ccccc3)C3CC3)C2)CC1 ZINC001207399144 1371384375 /nfs/dbraw/zinc/38/43/75/1371384375.db2.gz CYNLSORLAJIJSH-QFIPXVFZSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+]1CCC(CN2CCC[C@H]([N@H+](Cc3ccccc3)C3CC3)C2)CC1 ZINC001207399144 1371384379 /nfs/dbraw/zinc/38/43/79/1371384379.db2.gz CYNLSORLAJIJSH-QFIPXVFZSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+]1CCC(CN2CCC[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2)CC1 ZINC001207399144 1371384383 /nfs/dbraw/zinc/38/43/83/1371384383.db2.gz CYNLSORLAJIJSH-QFIPXVFZSA-N 2 1 341.543 3.457 20 0 EGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](C[C@@H]1CCCOC1)CC2 ZINC001207463340 1371402744 /nfs/dbraw/zinc/40/27/44/1371402744.db2.gz BWYUQJMCDAJIAG-IBGZPJMESA-N 2 1 343.515 3.185 20 0 EGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207479949 1371408743 /nfs/dbraw/zinc/40/87/43/1371408743.db2.gz QKBRXGPAKWYMLR-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](CCC4CC[NH+](C)CC4)C[C@H]3C2)cc1 ZINC001207482521 1371410188 /nfs/dbraw/zinc/41/01/88/1371410188.db2.gz MWQWXPMLJSQYDR-SZPZYZBQSA-N 3 1 341.543 3.091 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](CCC4CC[NH+](C)CC4)C[C@H]3C2)cc1 ZINC001207482521 1371410191 /nfs/dbraw/zinc/41/01/91/1371410191.db2.gz MWQWXPMLJSQYDR-SZPZYZBQSA-N 3 1 341.543 3.091 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](CCC4CC[NH+](C)CC4)C[C@H]3C2)cc1 ZINC001207482521 1371410193 /nfs/dbraw/zinc/41/01/93/1371410193.db2.gz MWQWXPMLJSQYDR-SZPZYZBQSA-N 2 1 341.543 3.091 20 0 EGADMP Cc1ccc(CN2C[C@@H]3C[N@H+](CCC4CC[NH+](C)CC4)C[C@@H]3C2)cc1 ZINC001207482521 1371410197 /nfs/dbraw/zinc/41/01/97/1371410197.db2.gz MWQWXPMLJSQYDR-SZPZYZBQSA-N 2 1 341.543 3.091 20 0 EGADMP Cc1ccc(CN2C[C@@H]3C[N@@H+](CCC4CC[NH+](C)CC4)C[C@@H]3C2)cc1 ZINC001207482521 1371410203 /nfs/dbraw/zinc/41/02/03/1371410203.db2.gz MWQWXPMLJSQYDR-SZPZYZBQSA-N 2 1 341.543 3.091 20 0 EGADMP COc1ccccc1[C@@H](O)C[N@@H+](CCC1CC[NH+](C)CC1)C(C)C ZINC001207486863 1371410907 /nfs/dbraw/zinc/41/09/07/1371410907.db2.gz OHAVTEDDRWZNCP-IBGZPJMESA-N 2 1 334.504 3.171 20 0 EGADMP C[N@@H+](CCC1CC[NH+](C)CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001207486469 1371410966 /nfs/dbraw/zinc/41/09/66/1371410966.db2.gz JBTVWZXCRUBRMB-OAQYLSRUSA-N 3 1 329.532 3.172 20 0 EGADMP C[NH+](CCC1CC[NH+](C)CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001207486469 1371410970 /nfs/dbraw/zinc/41/09/70/1371410970.db2.gz JBTVWZXCRUBRMB-OAQYLSRUSA-N 3 1 329.532 3.172 20 0 EGADMP C[NH+](CCC1CC[NH+](C)CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001207486469 1371410975 /nfs/dbraw/zinc/41/09/75/1371410975.db2.gz JBTVWZXCRUBRMB-OAQYLSRUSA-N 2 1 329.532 3.172 20 0 EGADMP C[N@H+](CCC1CC[NH+](C)CC1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001207486469 1371410982 /nfs/dbraw/zinc/41/09/82/1371410982.db2.gz JBTVWZXCRUBRMB-OAQYLSRUSA-N 2 1 329.532 3.172 20 0 EGADMP C[N@@H+](CCC1CC[NH+](C)CC1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001207486469 1371410986 /nfs/dbraw/zinc/41/09/86/1371410986.db2.gz JBTVWZXCRUBRMB-OAQYLSRUSA-N 2 1 329.532 3.172 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)[C@@H](c2ccccc2)C1 ZINC001207486777 1371411285 /nfs/dbraw/zinc/41/12/85/1371411285.db2.gz CPNCHGDORMETOH-WOJBJXKFSA-N 2 1 344.499 3.345 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001207486917 1371411295 /nfs/dbraw/zinc/41/12/95/1371411295.db2.gz OWZHACIRFVCGGX-JOCHJYFZSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(CC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001207486917 1371411297 /nfs/dbraw/zinc/41/12/97/1371411297.db2.gz OWZHACIRFVCGGX-JOCHJYFZSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(CC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001207486917 1371411299 /nfs/dbraw/zinc/41/12/99/1371411299.db2.gz OWZHACIRFVCGGX-JOCHJYFZSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(CC[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001207486917 1371411302 /nfs/dbraw/zinc/41/13/02/1371411302.db2.gz OWZHACIRFVCGGX-JOCHJYFZSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001207486917 1371411303 /nfs/dbraw/zinc/41/13/03/1371411303.db2.gz OWZHACIRFVCGGX-JOCHJYFZSA-N 2 1 341.543 3.316 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(C)c1C1CC1 ZINC001119948594 1371429921 /nfs/dbraw/zinc/42/99/21/1371429921.db2.gz KMDHJBZLFKEAEB-OXJNMPFZSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(C)c1C1CC1 ZINC001119948594 1371429922 /nfs/dbraw/zinc/42/99/22/1371429922.db2.gz KMDHJBZLFKEAEB-OXJNMPFZSA-N 2 1 338.499 3.298 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001207541101 1371429991 /nfs/dbraw/zinc/42/99/91/1371429991.db2.gz SQKXYJPCGQYAAP-CEXWTWQISA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001207541101 1371429995 /nfs/dbraw/zinc/42/99/95/1371429995.db2.gz SQKXYJPCGQYAAP-CEXWTWQISA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001207541101 1371429998 /nfs/dbraw/zinc/42/99/98/1371429998.db2.gz SQKXYJPCGQYAAP-CEXWTWQISA-N 2 1 337.552 3.122 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(C)c1C1CC1 ZINC001119948596 1371430224 /nfs/dbraw/zinc/43/02/24/1371430224.db2.gz KMDHJBZLFKEAEB-UZLBHIALSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(C)c1C1CC1 ZINC001119948596 1371430226 /nfs/dbraw/zinc/43/02/26/1371430226.db2.gz KMDHJBZLFKEAEB-UZLBHIALSA-N 2 1 338.499 3.298 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001207541200 1371430730 /nfs/dbraw/zinc/43/07/30/1371430730.db2.gz YBWFCDRIPATWIL-IEVDXQOXSA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001207541200 1371430732 /nfs/dbraw/zinc/43/07/32/1371430732.db2.gz YBWFCDRIPATWIL-IEVDXQOXSA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001207541200 1371430733 /nfs/dbraw/zinc/43/07/33/1371430733.db2.gz YBWFCDRIPATWIL-IEVDXQOXSA-N 2 1 349.563 3.432 20 0 EGADMP CCC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CCCCC1 ZINC001119993618 1371446178 /nfs/dbraw/zinc/44/61/78/1371446178.db2.gz ORUKQBYPBJGGCG-IBGZPJMESA-N 2 1 345.531 3.498 20 0 EGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC001207605732 1371450465 /nfs/dbraw/zinc/45/04/65/1371450465.db2.gz TVHHWXNWFCGPDZ-HXUWFJFHSA-N 2 1 334.479 3.334 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC001207605732 1371450471 /nfs/dbraw/zinc/45/04/71/1371450471.db2.gz TVHHWXNWFCGPDZ-HXUWFJFHSA-N 2 1 334.479 3.334 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207617354 1371453065 /nfs/dbraw/zinc/45/30/65/1371453065.db2.gz RNUJAYFSMCANNP-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001207617354 1371453071 /nfs/dbraw/zinc/45/30/71/1371453071.db2.gz RNUJAYFSMCANNP-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001207617354 1371453075 /nfs/dbraw/zinc/45/30/75/1371453075.db2.gz RNUJAYFSMCANNP-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207616818 1371453410 /nfs/dbraw/zinc/45/34/10/1371453410.db2.gz FXUXDQPMMUMDAZ-ZRAQOITDSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001207616818 1371453418 /nfs/dbraw/zinc/45/34/18/1371453418.db2.gz FXUXDQPMMUMDAZ-ZRAQOITDSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001207616818 1371453419 /nfs/dbraw/zinc/45/34/19/1371453419.db2.gz FXUXDQPMMUMDAZ-ZRAQOITDSA-N 2 1 335.536 3.044 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001207795955 1371506003 /nfs/dbraw/zinc/50/60/03/1371506003.db2.gz PQOCBLYZTOIVPT-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001207795955 1371506006 /nfs/dbraw/zinc/50/60/06/1371506006.db2.gz PQOCBLYZTOIVPT-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001207795955 1371506008 /nfs/dbraw/zinc/50/60/08/1371506008.db2.gz PQOCBLYZTOIVPT-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C[C@H](C)c1ccccc1)C2 ZINC001207904323 1371532970 /nfs/dbraw/zinc/53/29/70/1371532970.db2.gz CPKCATFLABDOFA-NYVOZVTQSA-N 2 1 342.527 3.470 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C[C@H](C)c1ccccc1)C2 ZINC001207904323 1371532972 /nfs/dbraw/zinc/53/29/72/1371532972.db2.gz CPKCATFLABDOFA-NYVOZVTQSA-N 2 1 342.527 3.470 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C[C@H](C)c1ccccc1)C2 ZINC001207904323 1371532973 /nfs/dbraw/zinc/53/29/73/1371532973.db2.gz CPKCATFLABDOFA-NYVOZVTQSA-N 2 1 342.527 3.470 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](CC4(C)CCOCC4)C[C@H]3C2)cc1 ZINC001207967400 1371554053 /nfs/dbraw/zinc/55/40/53/1371554053.db2.gz OMETZGJMENCCDD-BGYRXZFFSA-N 2 1 328.500 3.175 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](CC4(C)CCOCC4)C[C@H]3C2)cc1 ZINC001207967400 1371554063 /nfs/dbraw/zinc/55/40/63/1371554063.db2.gz OMETZGJMENCCDD-BGYRXZFFSA-N 2 1 328.500 3.175 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](CC4(C)CCOCC4)C[C@H]3C2)cc1 ZINC001207967400 1371554069 /nfs/dbraw/zinc/55/40/69/1371554069.db2.gz OMETZGJMENCCDD-BGYRXZFFSA-N 2 1 328.500 3.175 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001120391846 1371559578 /nfs/dbraw/zinc/55/95/78/1371559578.db2.gz HWXMVRBSWZHZHW-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001120432294 1371574876 /nfs/dbraw/zinc/57/48/76/1371574876.db2.gz ZPQUYPSEKNJZBV-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431721 1371574924 /nfs/dbraw/zinc/57/49/24/1371574924.db2.gz WAPRNQUCJTWHKJ-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001120431721 1371574928 /nfs/dbraw/zinc/57/49/28/1371574928.db2.gz WAPRNQUCJTWHKJ-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001120431721 1371574935 /nfs/dbraw/zinc/57/49/35/1371574935.db2.gz WAPRNQUCJTWHKJ-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CCCC2CCC2)C1 ZINC001120432221 1371575745 /nfs/dbraw/zinc/57/57/45/1371575745.db2.gz ZATVEEKRJCOZIE-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CCC(C)C)C1 ZINC001120440832 1371578257 /nfs/dbraw/zinc/57/82/57/1371578257.db2.gz UDCYATMOQXWSMB-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC2CCCC2)C1 ZINC001120439991 1371578554 /nfs/dbraw/zinc/57/85/54/1371578554.db2.gz KOVWQJFXVLXCMU-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120449728 1371580909 /nfs/dbraw/zinc/58/09/09/1371580909.db2.gz PKHLJRKBHIHARL-UXHICEINSA-N 2 1 349.563 3.388 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CC2CCC2)C1 ZINC001120449697 1371581171 /nfs/dbraw/zinc/58/11/71/1371581171.db2.gz OZMXJCUVSPXGMO-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC2CCC2)C1 ZINC001120449697 1371581174 /nfs/dbraw/zinc/58/11/74/1371581174.db2.gz OZMXJCUVSPXGMO-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC2CCC2)C1 ZINC001120449697 1371581178 /nfs/dbraw/zinc/58/11/78/1371581178.db2.gz OZMXJCUVSPXGMO-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208073410 1371588551 /nfs/dbraw/zinc/58/85/51/1371588551.db2.gz BGQFRDXQRWYTBU-DUFRMZEJSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2CC2(C)CC[NH+](C)CC2)O1 ZINC001208105951 1371597026 /nfs/dbraw/zinc/59/70/26/1371597026.db2.gz AMLUUYCVJFAZTH-GUDVDZBRSA-N 2 1 338.536 3.013 20 0 EGADMP C[N@@H+](CC1(C)CC[NH+](C)CC1)C1CCN(Cc2ccccc2)CC1 ZINC001208106933 1371597207 /nfs/dbraw/zinc/59/72/07/1371597207.db2.gz HNSGEUAPMCWIES-UHFFFAOYSA-N 3 1 329.532 3.315 20 0 EGADMP C[N@H+](CC1(C)CC[NH+](C)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001208106933 1371597210 /nfs/dbraw/zinc/59/72/10/1371597210.db2.gz HNSGEUAPMCWIES-UHFFFAOYSA-N 3 1 329.532 3.315 20 0 EGADMP C[N@@H+](CC1(C)CC[NH+](C)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001208106933 1371597212 /nfs/dbraw/zinc/59/72/12/1371597212.db2.gz HNSGEUAPMCWIES-UHFFFAOYSA-N 3 1 329.532 3.315 20 0 EGADMP COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208185764 1371628136 /nfs/dbraw/zinc/62/81/36/1371628136.db2.gz QBJPTAQIUGKKGB-ICSRJNTNSA-N 2 1 338.536 3.016 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208279304 1371696617 /nfs/dbraw/zinc/69/66/17/1371696617.db2.gz MXXCGMMAZIWATB-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001208453395 1371771802 /nfs/dbraw/zinc/77/18/02/1371771802.db2.gz GHTRXDFTGQXTGM-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C)[NH+](CC)CC ZINC001208575320 1371823756 /nfs/dbraw/zinc/82/37/56/1371823756.db2.gz NCZBVCODMNNXDM-QRQLOZEOSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CC1 ZINC001208598967 1371834557 /nfs/dbraw/zinc/83/45/57/1371834557.db2.gz GTNFUZGUSXCEBD-UHFFFAOYSA-N 3 1 345.531 3.299 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CCN(C[C@@H]1CCC[NH+](C)C1)CC2 ZINC001208611731 1371840027 /nfs/dbraw/zinc/84/00/27/1371840027.db2.gz XGAVHKCMRZQKIY-QUCCMNQESA-N 2 1 345.531 3.298 20 0 EGADMP C[NH+](Cc1ccco1)[C@H]1CCC12CCN(C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001208611731 1371840030 /nfs/dbraw/zinc/84/00/30/1371840030.db2.gz XGAVHKCMRZQKIY-QUCCMNQESA-N 2 1 345.531 3.298 20 0 EGADMP C[NH+](Cc1ccco1)[C@H]1CCC12CCN(C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001208611731 1371840032 /nfs/dbraw/zinc/84/00/32/1371840032.db2.gz XGAVHKCMRZQKIY-QUCCMNQESA-N 2 1 345.531 3.298 20 0 EGADMP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@@H]1CCC[NH+](C)C1)CC2 ZINC001208611731 1371840036 /nfs/dbraw/zinc/84/00/36/1371840036.db2.gz XGAVHKCMRZQKIY-QUCCMNQESA-N 3 1 345.531 3.298 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@@H]1CCC[NH+](C)C1)CC2 ZINC001208611731 1371840040 /nfs/dbraw/zinc/84/00/40/1371840040.db2.gz XGAVHKCMRZQKIY-QUCCMNQESA-N 3 1 345.531 3.298 20 0 EGADMP C[NH+](Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001208611731 1371840045 /nfs/dbraw/zinc/84/00/45/1371840045.db2.gz XGAVHKCMRZQKIY-QUCCMNQESA-N 3 1 345.531 3.298 20 0 EGADMP C[NH+](Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001208611731 1371840047 /nfs/dbraw/zinc/84/00/47/1371840047.db2.gz XGAVHKCMRZQKIY-QUCCMNQESA-N 3 1 345.531 3.298 20 0 EGADMP CN1CCC[C@@H](C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)C1 ZINC001208611731 1371840050 /nfs/dbraw/zinc/84/00/50/1371840050.db2.gz XGAVHKCMRZQKIY-QUCCMNQESA-N 2 1 345.531 3.298 20 0 EGADMP CN1CCC[C@@H](C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)C1 ZINC001208611731 1371840056 /nfs/dbraw/zinc/84/00/56/1371840056.db2.gz XGAVHKCMRZQKIY-QUCCMNQESA-N 2 1 345.531 3.298 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001208735547 1371878680 /nfs/dbraw/zinc/87/86/80/1371878680.db2.gz MDWSIQFGBFMBSP-WOJBJXKFSA-N 2 1 331.504 3.041 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001208735547 1371878684 /nfs/dbraw/zinc/87/86/84/1371878684.db2.gz MDWSIQFGBFMBSP-WOJBJXKFSA-N 2 1 331.504 3.041 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001208735547 1371878691 /nfs/dbraw/zinc/87/86/91/1371878691.db2.gz MDWSIQFGBFMBSP-WOJBJXKFSA-N 2 1 331.504 3.041 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC[C@H]([NH2+]CC2CCCC2)C1)C1CCCCC1 ZINC001208758640 1371885546 /nfs/dbraw/zinc/88/55/46/1371885546.db2.gz MHTFIKFCGXKODN-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H](CCC(=O)OC)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208795794 1371899632 /nfs/dbraw/zinc/89/96/32/1371899632.db2.gz GMARRRHUMVGLQO-AZUAARDMSA-N 2 1 346.515 3.420 20 0 EGADMP CC[C@@H](CCC(=O)OC)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208795794 1371899634 /nfs/dbraw/zinc/89/96/34/1371899634.db2.gz GMARRRHUMVGLQO-AZUAARDMSA-N 2 1 346.515 3.420 20 0 EGADMP CC[C@@H](CCC(=O)OC)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208795794 1371899636 /nfs/dbraw/zinc/89/96/36/1371899636.db2.gz GMARRRHUMVGLQO-AZUAARDMSA-N 2 1 346.515 3.420 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+]CCC1CCCC1)C2 ZINC001121318278 1371934841 /nfs/dbraw/zinc/93/48/41/1371934841.db2.gz CELOATIUCQYCQE-UHFFFAOYSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001121347349 1371945192 /nfs/dbraw/zinc/94/51/92/1371945192.db2.gz HPKGWIFJGXKUJN-MBEFBZSESA-N 2 1 347.547 3.090 20 0 EGADMP CC1(C)C[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@](C)(CO)C1 ZINC001208930989 1371949635 /nfs/dbraw/zinc/94/96/35/1371949635.db2.gz GONOFWQLVGBJGR-CTNGQTDRSA-N 2 1 330.516 3.382 20 0 EGADMP CC1(C)C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@](C)(CO)C1 ZINC001208930989 1371949637 /nfs/dbraw/zinc/94/96/37/1371949637.db2.gz GONOFWQLVGBJGR-CTNGQTDRSA-N 2 1 330.516 3.382 20 0 EGADMP CC1(C)C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@](C)(CO)C1 ZINC001208930989 1371949639 /nfs/dbraw/zinc/94/96/39/1371949639.db2.gz GONOFWQLVGBJGR-CTNGQTDRSA-N 2 1 330.516 3.382 20 0 EGADMP CC1(C)C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@](C)(CO)C1 ZINC001208930989 1371949642 /nfs/dbraw/zinc/94/96/42/1371949642.db2.gz GONOFWQLVGBJGR-CTNGQTDRSA-N 2 1 330.516 3.382 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](CN3CC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC001208948226 1371959517 /nfs/dbraw/zinc/95/95/17/1371959517.db2.gz FRNMWZHTXYZJES-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP C[N@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC2(C1)OCCO2 ZINC001208945027 1371959578 /nfs/dbraw/zinc/95/95/78/1371959578.db2.gz QVVZFFMDKVKKHC-WOJBJXKFSA-N 2 1 344.499 3.126 20 0 EGADMP C[N@@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC2(C1)OCCO2 ZINC001208945027 1371959581 /nfs/dbraw/zinc/95/95/81/1371959581.db2.gz QVVZFFMDKVKKHC-WOJBJXKFSA-N 2 1 344.499 3.126 20 0 EGADMP C[NH+](C[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC2(C1)OCCO2 ZINC001208945027 1371959585 /nfs/dbraw/zinc/95/95/85/1371959585.db2.gz QVVZFFMDKVKKHC-WOJBJXKFSA-N 2 1 344.499 3.126 20 0 EGADMP C[NH+](C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC2(C1)OCCO2 ZINC001208945027 1371959588 /nfs/dbraw/zinc/95/95/88/1371959588.db2.gz QVVZFFMDKVKKHC-WOJBJXKFSA-N 2 1 344.499 3.126 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@H](Oc4ccccn4)C3)C2)cc1 ZINC001208956414 1371962272 /nfs/dbraw/zinc/96/22/72/1371962272.db2.gz HYGZZNAHYCFVSB-PMACEKPBSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@H](Oc4ccccn4)C3)C2)cc1 ZINC001208956414 1371962277 /nfs/dbraw/zinc/96/22/77/1371962277.db2.gz HYGZZNAHYCFVSB-PMACEKPBSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@H](Oc4ccccn4)C3)C2)cc1 ZINC001208956414 1371962281 /nfs/dbraw/zinc/96/22/81/1371962281.db2.gz HYGZZNAHYCFVSB-PMACEKPBSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CC[C@H](Oc4ccccn4)C3)C2)cc1 ZINC001208956419 1371962615 /nfs/dbraw/zinc/96/26/15/1371962615.db2.gz HYGZZNAHYCFVSB-UXHICEINSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CC[C@H](Oc4ccccn4)C3)C2)cc1 ZINC001208956419 1371962616 /nfs/dbraw/zinc/96/26/16/1371962616.db2.gz HYGZZNAHYCFVSB-UXHICEINSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CC[C@H](Oc4ccccn4)C3)C2)cc1 ZINC001208956419 1371962620 /nfs/dbraw/zinc/96/26/20/1371962620.db2.gz HYGZZNAHYCFVSB-UXHICEINSA-N 2 1 337.467 3.057 20 0 EGADMP CC[NH+](CC)C1CC[NH+](CCCCNC(=O)OC(C)(C)C)CC1 ZINC001209363314 1372078388 /nfs/dbraw/zinc/07/83/88/1372078388.db2.gz HUKFMYGNTFAMOC-UHFFFAOYSA-N 2 1 327.513 3.098 20 0 EGADMP C[C@@H]1C[C@@H]1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001209418074 1372100405 /nfs/dbraw/zinc/10/04/05/1372100405.db2.gz YADCTCCLUKKFKN-BRWVUGGUSA-N 2 1 334.529 3.459 20 0 EGADMP O=C1OC2(CC[NH+](CCC[NH+]3CCCCC3)CC2)c2ccccc21 ZINC001209448531 1372108395 /nfs/dbraw/zinc/10/83/95/1372108395.db2.gz AVIHJLNKDALEBR-UHFFFAOYSA-N 2 1 328.456 3.024 20 0 EGADMP O=C1CC[C@@H]2[C@@H](CC[N@@H+]2CCC[NH+]2CCCCC2)N1c1ccccc1 ZINC001209451342 1372109143 /nfs/dbraw/zinc/10/91/43/1372109143.db2.gz HVBKQOJKRZJURO-WOJBJXKFSA-N 2 1 341.499 3.132 20 0 EGADMP O=C1CC[C@@H]2[C@@H](CC[N@H+]2CCC[NH+]2CCCCC2)N1c1ccccc1 ZINC001209451342 1372109146 /nfs/dbraw/zinc/10/91/46/1372109146.db2.gz HVBKQOJKRZJURO-WOJBJXKFSA-N 2 1 341.499 3.132 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](CCN3CCC[NH+]3CCCCC3)C2)cc1 ZINC001209453714 1372110160 /nfs/dbraw/zinc/11/01/60/1372110160.db2.gz KNAWFMVTULEBIR-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2 ZINC001121919517 1372122651 /nfs/dbraw/zinc/12/26/51/1372122651.db2.gz SLCDHWFNGSVBRU-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+][C@@H](C)c1ccccc1)C2 ZINC001122022867 1372155259 /nfs/dbraw/zinc/15/52/59/1372155259.db2.gz MCQVTSPQXSBXEP-GICSWVMSSA-N 2 1 343.515 3.106 20 0 EGADMP Cn1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c2cccnc21 ZINC001209748098 1372182567 /nfs/dbraw/zinc/18/25/67/1372182567.db2.gz BUTJTQMGVQGLED-GOSISDBHSA-N 2 1 326.488 3.414 20 0 EGADMP CN(C)c1ccccc1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001209773845 1372191709 /nfs/dbraw/zinc/19/17/09/1372191709.db2.gz HXJRINHMMQOQPE-ROUUACIJSA-N 2 1 341.524 3.378 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209891347 1372224429 /nfs/dbraw/zinc/22/44/29/1372224429.db2.gz BVEJFDPVOQLIFH-QGZVFWFLSA-N 2 1 334.508 3.167 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209954243 1372240509 /nfs/dbraw/zinc/24/05/09/1372240509.db2.gz WBFZUOLJOBMXIN-YSKLNCTFSA-N 2 1 335.536 3.186 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001210134214 1372278208 /nfs/dbraw/zinc/27/82/08/1372278208.db2.gz VUGJMNLWMOQWRF-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001210494535 1372366105 /nfs/dbraw/zinc/36/61/05/1372366105.db2.gz VWTJLHPJOODKHU-HXKWKUIBSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](CC)c2ccccc2)C[C@H]1C ZINC001210497177 1372366335 /nfs/dbraw/zinc/36/63/35/1372366335.db2.gz AUZRVGHFWCMXMP-RLLQIKCJSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)c2ccccc2)C[C@H]1C ZINC001210497177 1372366339 /nfs/dbraw/zinc/36/63/39/1372366339.db2.gz AUZRVGHFWCMXMP-RLLQIKCJSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)c2ccccc2)C[C@H]1C ZINC001210497177 1372366344 /nfs/dbraw/zinc/36/63/44/1372366344.db2.gz AUZRVGHFWCMXMP-RLLQIKCJSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCC(C)C)C1)c1ccccc1 ZINC001210643872 1372398884 /nfs/dbraw/zinc/39/88/84/1372398884.db2.gz LYRYVUCTGXVSOJ-UXHICEINSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC=C(C)C)C1)c1ccccc1 ZINC001210644358 1372398917 /nfs/dbraw/zinc/39/89/17/1372398917.db2.gz OJDQMUNVUQOKAL-WOJBJXKFSA-N 2 1 343.515 3.226 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001210796757 1372428293 /nfs/dbraw/zinc/42/82/93/1372428293.db2.gz JMVYMFFLFYYKOY-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001211257932 1372513994 /nfs/dbraw/zinc/51/39/94/1372513994.db2.gz XLCDCFVCRDKZBY-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211292278 1372522332 /nfs/dbraw/zinc/52/23/32/1372522332.db2.gz KYMXOVQKKUEKNB-LDBCMITESA-N 2 1 343.515 3.155 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211337623 1372534092 /nfs/dbraw/zinc/53/40/92/1372534092.db2.gz QJCAGLNUTITKEK-YLJYHZDGSA-N 2 1 345.531 3.379 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211337410 1372534132 /nfs/dbraw/zinc/53/41/32/1372534132.db2.gz OUROMJDUCNKUCQ-LDBCMITESA-N 2 1 343.515 3.155 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374325 1372542959 /nfs/dbraw/zinc/54/29/59/1372542959.db2.gz DIDTYCUMWHURQZ-RLLQIKCJSA-N 2 1 345.531 3.306 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374325 1372542961 /nfs/dbraw/zinc/54/29/61/1372542961.db2.gz DIDTYCUMWHURQZ-RLLQIKCJSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211376683 1372543757 /nfs/dbraw/zinc/54/37/57/1372543757.db2.gz NRELSNLYINLVJB-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CCCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211713758 1372607375 /nfs/dbraw/zinc/60/73/75/1372607375.db2.gz SGSHOEZYBBRBLQ-VQTJNVASSA-N 2 1 345.531 3.103 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001214990182 1373152745 /nfs/dbraw/zinc/15/27/45/1373152745.db2.gz CUNCXCVWFKBHNY-RVKKMQEKSA-N 2 1 349.494 3.054 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001214998223 1373154123 /nfs/dbraw/zinc/15/41/23/1373154123.db2.gz SDKRRWWNNVLOIO-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+][C@H](C)c1ccccc1C ZINC001127685832 1373162270 /nfs/dbraw/zinc/16/22/70/1373162270.db2.gz VMBDWJXLXJKAON-DLBZAZTESA-N 2 1 342.487 3.172 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001215774368 1373236252 /nfs/dbraw/zinc/23/62/52/1373236252.db2.gz NETJNQJBYMDPFV-YSNLUETFSA-N 2 1 335.536 3.042 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001128743346 1373307747 /nfs/dbraw/zinc/30/77/47/1373307747.db2.gz BZWXMSGWJPDJOG-RTBURBONSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001216510983 1373312871 /nfs/dbraw/zinc/31/28/71/1373312871.db2.gz HQEYFRJACFRUOH-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC001216510875 1373313110 /nfs/dbraw/zinc/31/31/10/1373313110.db2.gz BUCZBGNZVOXUHM-ATZDWAIDSA-N 2 1 349.494 3.055 20 0 EGADMP O=C(NCC[NH2+]CCCC1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129429738 1373383168 /nfs/dbraw/zinc/38/31/68/1373383168.db2.gz KOVBRUDTFTUKIF-LJQANCHMSA-N 2 1 335.536 3.070 20 0 EGADMP CC(C)COc1ccc(-c2nnc([C@@H]([NH3+])CC3CC[NH2+]CC3)o2)cc1 ZINC001217726148 1373495191 /nfs/dbraw/zinc/49/51/91/1373495191.db2.gz XJTAWPSIEDUECQ-KRWDZBQOSA-N 2 1 344.459 3.161 20 0 EGADMP C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc2c(c1)C(C)(C)C[NH2+]CC2 ZINC001218458008 1373618008 /nfs/dbraw/zinc/61/80/08/1373618008.db2.gz BTYJMEOEHKOBLO-YRWFTTLQSA-N 2 1 328.500 3.219 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848336 1373798288 /nfs/dbraw/zinc/79/82/88/1373798288.db2.gz KSRLHSFBJHHWKG-XUVXKRRUSA-N 2 1 349.563 3.220 20 0 EGADMP COCCCOc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001222272221 1373822878 /nfs/dbraw/zinc/82/28/78/1373822878.db2.gz OMQOZMYQCVALSC-FQEVSTJZSA-N 2 1 332.488 3.068 20 0 EGADMP COCCCOc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001222272221 1373822885 /nfs/dbraw/zinc/82/28/85/1373822885.db2.gz OMQOZMYQCVALSC-FQEVSTJZSA-N 2 1 332.488 3.068 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001225087764 1375092372 /nfs/dbraw/zinc/09/23/72/1375092372.db2.gz KVNSZFHQJDNSRM-UHFFFAOYSA-N 2 1 349.563 3.127 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CCc2c[nH]cn2)CC[C@@H]1C ZINC001132089955 1375140138 /nfs/dbraw/zinc/14/01/38/1375140138.db2.gz BDRLUZRBHIPWKS-OZZQIWQLSA-N 2 1 332.492 3.058 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCc2cnc[nH]2)CC[C@@H]1C ZINC001132089955 1375140140 /nfs/dbraw/zinc/14/01/40/1375140140.db2.gz BDRLUZRBHIPWKS-OZZQIWQLSA-N 2 1 332.492 3.058 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CCc2cnc[nH]2)CC[C@@H]1C ZINC001132089955 1375140144 /nfs/dbraw/zinc/14/01/44/1375140144.db2.gz BDRLUZRBHIPWKS-OZZQIWQLSA-N 2 1 332.492 3.058 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCCC1CCCC1 ZINC001132107540 1375151408 /nfs/dbraw/zinc/15/14/08/1375151408.db2.gz ZZXORDRBPMFWTM-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132129826 1375160957 /nfs/dbraw/zinc/16/09/57/1375160957.db2.gz YYFFLZSMRBQGFR-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188691172 1388361102 /nfs/dbraw/zinc/36/11/02/1388361102.db2.gz TYZYTMOFCZWQPR-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188690445 1388361207 /nfs/dbraw/zinc/36/12/07/1388361207.db2.gz MEMGUZKIDJHNAZ-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132152336 1375171754 /nfs/dbraw/zinc/17/17/54/1375171754.db2.gz ADCJWMCKGXOFJE-AEFFLSMTSA-N 2 1 342.487 3.353 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132204427 1375207678 /nfs/dbraw/zinc/20/76/78/1375207678.db2.gz WFOXPXOZWOJDGG-RBUKOAKNSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CC1CCCCCC1 ZINC001132270990 1375259046 /nfs/dbraw/zinc/25/90/46/1375259046.db2.gz YKWQJHFMUFYKOQ-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP c1ccc(C[N@@H+]2CCc3nc(O[C@H]4C[NH+]5CCC4CC5)ccc3C2)cc1 ZINC001226742510 1375323095 /nfs/dbraw/zinc/32/30/95/1375323095.db2.gz HYCBBJKNRICBDJ-NRFANRHFSA-N 2 1 349.478 3.113 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(O[C@H]4C[NH+]5CCC4CC5)ccc3C2)cc1 ZINC001226742510 1375323098 /nfs/dbraw/zinc/32/30/98/1375323098.db2.gz HYCBBJKNRICBDJ-NRFANRHFSA-N 2 1 349.478 3.113 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CCCC2)C1 ZINC001132364219 1375327637 /nfs/dbraw/zinc/32/76/37/1375327637.db2.gz BCLHVIGQJFCABD-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCCC2)C1 ZINC001132364219 1375327642 /nfs/dbraw/zinc/32/76/42/1375327642.db2.gz BCLHVIGQJFCABD-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132366073 1375329522 /nfs/dbraw/zinc/32/95/22/1375329522.db2.gz VVLQGABALZVMTI-WMZOPIPTSA-N 2 1 334.508 3.131 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132366073 1375329526 /nfs/dbraw/zinc/32/95/26/1375329526.db2.gz VVLQGABALZVMTI-WMZOPIPTSA-N 2 1 334.508 3.131 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132375254 1375338216 /nfs/dbraw/zinc/33/82/16/1375338216.db2.gz CCYATQHAGCCEOO-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132409851 1375358253 /nfs/dbraw/zinc/35/82/53/1375358253.db2.gz FVQKVDJSXUJCKE-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001132409851 1375358257 /nfs/dbraw/zinc/35/82/57/1375358257.db2.gz FVQKVDJSXUJCKE-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001132409851 1375358261 /nfs/dbraw/zinc/35/82/61/1375358261.db2.gz FVQKVDJSXUJCKE-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C)cc2C)C1 ZINC001132409760 1375358572 /nfs/dbraw/zinc/35/85/72/1375358572.db2.gz DTUXOFAZFQVAHN-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2C)C1 ZINC001132409760 1375358578 /nfs/dbraw/zinc/35/85/78/1375358578.db2.gz DTUXOFAZFQVAHN-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001132409760 1375358584 /nfs/dbraw/zinc/35/85/84/1375358584.db2.gz DTUXOFAZFQVAHN-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001132409555 1375359222 /nfs/dbraw/zinc/35/92/22/1375359222.db2.gz AWFRNRFGEDKZPA-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132409555 1375359228 /nfs/dbraw/zinc/35/92/28/1375359228.db2.gz AWFRNRFGEDKZPA-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132409555 1375359230 /nfs/dbraw/zinc/35/92/30/1375359230.db2.gz AWFRNRFGEDKZPA-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001132425991 1375371915 /nfs/dbraw/zinc/37/19/15/1375371915.db2.gz QHURUDWWYCECAZ-SJORKVTESA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001132425991 1375371928 /nfs/dbraw/zinc/37/19/28/1375371928.db2.gz QHURUDWWYCECAZ-SJORKVTESA-N 2 1 346.519 3.167 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001132426241 1375373172 /nfs/dbraw/zinc/37/31/72/1375373172.db2.gz UNIAMAYAMWKJIT-QVOWHETESA-N 2 1 344.503 3.087 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001132426241 1375373186 /nfs/dbraw/zinc/37/31/86/1375373186.db2.gz UNIAMAYAMWKJIT-QVOWHETESA-N 2 1 344.503 3.087 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]2C)cc1 ZINC001132433041 1375378494 /nfs/dbraw/zinc/37/84/94/1375378494.db2.gz JRNHZGXOAFVWJC-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CC1CCCCC1 ZINC001132433817 1375379005 /nfs/dbraw/zinc/37/90/05/1375379005.db2.gz QMOJCKLYLBXSJM-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CC3(CCC3)C2)C1 ZINC001132436383 1375380766 /nfs/dbraw/zinc/38/07/66/1375380766.db2.gz LCAFGVGNXKYMMJ-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CC3(CCC3)C2)C1 ZINC001132436383 1375380770 /nfs/dbraw/zinc/38/07/70/1375380770.db2.gz LCAFGVGNXKYMMJ-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001132436383 1375380775 /nfs/dbraw/zinc/38/07/75/1375380775.db2.gz LCAFGVGNXKYMMJ-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CCCCC2)C1 ZINC001132436369 1375381573 /nfs/dbraw/zinc/38/15/73/1375381573.db2.gz KWUZXQUIOXJTOQ-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCCCC2)C1 ZINC001132436369 1375381577 /nfs/dbraw/zinc/38/15/77/1375381577.db2.gz KWUZXQUIOXJTOQ-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CCCCC2)C1 ZINC001132436369 1375381581 /nfs/dbraw/zinc/38/15/81/1375381581.db2.gz KWUZXQUIOXJTOQ-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccc(C)c(C[NH+]2C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132517414 1375435802 /nfs/dbraw/zinc/43/58/02/1375435802.db2.gz CBYNOUQYUZMERV-AZUAARDMSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132517414 1375435804 /nfs/dbraw/zinc/43/58/04/1375435804.db2.gz CBYNOUQYUZMERV-AZUAARDMSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1ccc(C)c(C[N@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132517414 1375435809 /nfs/dbraw/zinc/43/58/09/1375435809.db2.gz CBYNOUQYUZMERV-AZUAARDMSA-N 2 1 345.531 3.113 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001132738030 1375538330 /nfs/dbraw/zinc/53/83/30/1375538330.db2.gz UFARXHCEDPZLRO-HXUWFJFHSA-N 2 1 345.531 3.138 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132887582 1375625710 /nfs/dbraw/zinc/62/57/10/1375625710.db2.gz GHQVZGQCZKWHNL-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132888281 1375627165 /nfs/dbraw/zinc/62/71/65/1375627165.db2.gz LTJUOQWEISFQQZ-OXUXSNCKSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl ZINC001228932719 1375719983 /nfs/dbraw/zinc/71/99/83/1375719983.db2.gz SSLQGWOSZADHSM-APYPLBAYSA-N 2 1 341.927 3.019 20 0 EGADMP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133143266 1375803568 /nfs/dbraw/zinc/80/35/68/1375803568.db2.gz SABWINUATZZQDM-ZWKOTPCHSA-N 2 1 346.519 3.047 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001327145286 1388403583 /nfs/dbraw/zinc/40/35/83/1388403583.db2.gz DPQVPONXCIUWOP-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC001229523137 1375851289 /nfs/dbraw/zinc/85/12/89/1375851289.db2.gz CBMQNWWLXCMJFO-BHIYHBOVSA-N 2 1 331.504 3.106 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001229524636 1375851719 /nfs/dbraw/zinc/85/17/19/1375851719.db2.gz QGSZKIXFIJMVNQ-RTBURBONSA-N 2 1 337.552 3.316 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF)c1ccccc1 ZINC001229652629 1375872812 /nfs/dbraw/zinc/87/28/12/1375872812.db2.gz QGUAFHNKIGWLHY-GUDVDZBRSA-N 2 1 349.494 3.056 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133274357 1375888846 /nfs/dbraw/zinc/88/88/46/1375888846.db2.gz HACIIGAHODIGTN-ICSRJNTNSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC001229837880 1375901094 /nfs/dbraw/zinc/90/10/94/1375901094.db2.gz ZHWMFXGBQAUKFU-RTBURBONSA-N 2 1 349.494 3.075 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001230107792 1375944952 /nfs/dbraw/zinc/94/49/52/1375944952.db2.gz YBTQYOSAIIKTQE-SFHVURJKSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC001230113153 1375945980 /nfs/dbraw/zinc/94/59/80/1375945980.db2.gz UKWZKIPSIWTHCM-XFFZJAGNSA-N 2 1 343.515 3.012 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@H+](C)C(C)C)cc1C ZINC001230284640 1375983704 /nfs/dbraw/zinc/98/37/04/1375983704.db2.gz OVRKGCHJTOSDNB-WOJBJXKFSA-N 2 1 345.531 3.161 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001230284565 1375984476 /nfs/dbraw/zinc/98/44/76/1375984476.db2.gz LAOOBWVUXWZVEO-RTBURBONSA-N 2 1 337.552 3.314 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230284545 1375984518 /nfs/dbraw/zinc/98/45/18/1375984518.db2.gz KDVDWLQYZSDVHF-DFQSSKMNSA-N 2 1 345.531 3.413 20 0 EGADMP CCC/C=C\CC[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001230334204 1376000730 /nfs/dbraw/zinc/00/07/30/1376000730.db2.gz LNLQUGUFQMJUPM-QHHIFSJYSA-N 2 1 335.536 3.186 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C)c1cccc(Cl)c1 ZINC001133899543 1376256479 /nfs/dbraw/zinc/25/64/79/1376256479.db2.gz LHLAXAJOSHOLIA-CQSZACIVSA-N 2 1 339.911 3.085 20 0 EGADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccccc1-c1ccc(F)cc1 ZINC001231825370 1376321554 /nfs/dbraw/zinc/32/15/54/1376321554.db2.gz TTXZKQHLASZBLH-UHFFFAOYSA-N 2 1 341.474 3.172 20 0 EGADMP COc1cccc(OC2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)n1 ZINC001232018611 1376386443 /nfs/dbraw/zinc/38/64/43/1376386443.db2.gz NXAUREUZWWXVAH-UHFFFAOYSA-N 2 1 338.411 3.010 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC001232145039 1376409123 /nfs/dbraw/zinc/40/91/23/1376409123.db2.gz SLNCVAVSOCVMTA-UHFFFAOYSA-N 2 1 344.430 3.291 20 0 EGADMP CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232152487 1376409990 /nfs/dbraw/zinc/40/99/90/1376409990.db2.gz YIAUMZFTTPXEIJ-QGZVFWFLSA-N 2 1 336.451 3.053 20 0 EGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cnc(OC)c4ccccc34)C[C@H]2C1 ZINC001232950498 1376545349 /nfs/dbraw/zinc/54/53/49/1376545349.db2.gz GNYVRMPCXGTPFT-IAGOWNOFSA-N 2 1 325.456 3.017 20 0 EGADMP Cc1c[nH]c(=O)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001233193980 1376584198 /nfs/dbraw/zinc/58/41/98/1376584198.db2.gz LILMDNMENXXFKI-QUCCMNQESA-N 2 1 337.467 3.050 20 0 EGADMP Cc1c[nH]c(=O)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001233193980 1376584211 /nfs/dbraw/zinc/58/42/11/1376584211.db2.gz LILMDNMENXXFKI-QUCCMNQESA-N 2 1 337.467 3.050 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612903 1376624434 /nfs/dbraw/zinc/62/44/34/1376624434.db2.gz QTFLIKCGTHDYFN-DLBZAZTESA-N 2 1 335.536 3.234 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC/C=C/c1ccccc1 ZINC001134766778 1376709960 /nfs/dbraw/zinc/70/99/60/1376709960.db2.gz LZRVNVGDPGISEP-VLUHHTHFSA-N 2 1 343.515 3.059 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001134773395 1376713955 /nfs/dbraw/zinc/71/39/55/1376713955.db2.gz OHRJFDCCWFNADG-ROUUACIJSA-N 2 1 347.547 3.407 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2)[NH2+]CCC(C)(C)C ZINC001135021684 1376851679 /nfs/dbraw/zinc/85/16/79/1376851679.db2.gz RRJDBDHIQPEJII-CVEARBPZSA-N 2 1 348.535 3.071 20 0 EGADMP c1cc(-c2cccc(C[N@H+]3CCC[C@@]4(CNCCO4)C3)c2)cs1 ZINC001235122814 1376852879 /nfs/dbraw/zinc/85/28/79/1376852879.db2.gz ZJOBAGBFJIRBLT-LJQANCHMSA-N 2 1 328.481 3.370 20 0 EGADMP c1cc(-c2cccc(CN3CCC[C@@]4(C[NH2+]CCO4)C3)c2)cs1 ZINC001235122814 1376852882 /nfs/dbraw/zinc/85/28/82/1376852882.db2.gz ZJOBAGBFJIRBLT-LJQANCHMSA-N 2 1 328.481 3.370 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235125285 1376855466 /nfs/dbraw/zinc/85/54/66/1376855466.db2.gz OMEKHMQGCWPVMQ-LEWJYISDSA-N 2 1 327.516 3.259 20 0 EGADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427553 1376870680 /nfs/dbraw/zinc/87/06/80/1376870680.db2.gz MELBOJLOLLKKKW-MOPGFXCFSA-N 2 1 330.472 3.075 20 0 EGADMP COc1ncc(C2CC2)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430893 1376872221 /nfs/dbraw/zinc/87/22/21/1376872221.db2.gz YKNUQYNDFFGUKH-DLBZAZTESA-N 2 1 329.488 3.179 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CCC1CC1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135076352 1376880466 /nfs/dbraw/zinc/88/04/66/1376880466.db2.gz AOMAGLZSOPMAKJ-IAGOWNOFSA-N 2 1 337.552 3.314 20 0 EGADMP CC[N@H+](Cc1ccc(OC)cc1OC(F)(F)F)C1CC[NH2+]CC1 ZINC001235762982 1376889946 /nfs/dbraw/zinc/88/99/46/1376889946.db2.gz YRRJXFVPNXSYGC-UHFFFAOYSA-N 2 1 332.366 3.168 20 0 EGADMP CC[N@@H+](Cc1ccc(OC)cc1OC(F)(F)F)C1CC[NH2+]CC1 ZINC001235762982 1376889948 /nfs/dbraw/zinc/88/99/48/1376889948.db2.gz YRRJXFVPNXSYGC-UHFFFAOYSA-N 2 1 332.366 3.168 20 0 EGADMP Cc1ccc([C@@]2(C)C[N@@H+](CC3CC4(C3)CC[NH2+]CC4)CCO2)cc1 ZINC001235947536 1376922935 /nfs/dbraw/zinc/92/29/35/1376922935.db2.gz DVJKRRHEFAXDIG-HXUWFJFHSA-N 2 1 328.500 3.322 20 0 EGADMP CCOC(=O)[C@H]1CC[N@H+](CC[C@H]2CCCC[NH2+]2)C[C@H]1c1ccccc1 ZINC001236007387 1376925609 /nfs/dbraw/zinc/92/56/09/1376925609.db2.gz AIHQMOGHCVVMTO-AABGKKOBSA-N 2 1 344.499 3.187 20 0 EGADMP CCOC(=O)[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH2+]2)C[C@H]1c1ccccc1 ZINC001236007387 1376925616 /nfs/dbraw/zinc/92/56/16/1376925616.db2.gz AIHQMOGHCVVMTO-AABGKKOBSA-N 2 1 344.499 3.187 20 0 EGADMP [NH3+]C1CN([C@@H]2CCC[N@@H+](Cc3ccccc3CCc3ccccc3)C2)C1 ZINC001236077717 1376932416 /nfs/dbraw/zinc/93/24/16/1376932416.db2.gz LHTYFJGCVSDOPG-HSZRJFAPSA-N 2 1 349.522 3.079 20 0 EGADMP CCc1[nH]c(CN(Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)c(C)[nH+]1 ZINC001236388854 1376951551 /nfs/dbraw/zinc/95/15/51/1376951551.db2.gz PPHDPKIBCLACJW-QGZVFWFLSA-N 2 1 330.451 3.174 20 0 EGADMP COc1ccc(C[N@H+](Cc2ccccc2N)C2CC[NH2+]CC2)cc1 ZINC001236448133 1376953802 /nfs/dbraw/zinc/95/38/02/1376953802.db2.gz YPLWSFGUOQMDPS-UHFFFAOYSA-N 2 1 325.456 3.032 20 0 EGADMP COc1ccc(C[N@@H+](Cc2ccccc2N)C2CC[NH2+]CC2)cc1 ZINC001236448133 1376953810 /nfs/dbraw/zinc/95/38/10/1376953810.db2.gz YPLWSFGUOQMDPS-UHFFFAOYSA-N 2 1 325.456 3.032 20 0 EGADMP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@]1(CCO)CC[NH2+]C1 ZINC001246296462 1377051133 /nfs/dbraw/zinc/05/11/33/1377051133.db2.gz ROCCBCVUXUZTHY-LRDDRELGSA-N 2 1 331.287 3.019 20 0 EGADMP c1csc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001246748061 1377054030 /nfs/dbraw/zinc/05/40/30/1377054030.db2.gz SDJPGRWDPYAYKM-KURKYZTESA-N 2 1 345.556 3.319 20 0 EGADMP Cc1cc(F)ccc1-c1noc(C2CC[NH+](C3CC[NH2+]CC3)CC2)n1 ZINC001247908781 1377065329 /nfs/dbraw/zinc/06/53/29/1377065329.db2.gz WLTHAHSWIPKSFS-UHFFFAOYSA-N 2 1 344.434 3.116 20 0 EGADMP O[C@@]1(C[NH+]2CCC3(CC[C@H](F)C3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252932688 1377093408 /nfs/dbraw/zinc/09/34/08/1377093408.db2.gz WDVCSNNBZRQCRQ-PZJWPPBQSA-N 2 1 346.490 3.228 20 0 EGADMP O[C@@]1(C[NH+]2CCC3(CC[C@H](F)C3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252932688 1377093411 /nfs/dbraw/zinc/09/34/11/1377093411.db2.gz WDVCSNNBZRQCRQ-PZJWPPBQSA-N 2 1 346.490 3.228 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001135440060 1377098538 /nfs/dbraw/zinc/09/85/38/1377098538.db2.gz CXVFKZGIVZDQTO-LJQANCHMSA-N 2 1 349.494 3.031 20 0 EGADMP COc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCC[NH+](C)CC2)c1 ZINC001254511481 1377105809 /nfs/dbraw/zinc/10/58/09/1377105809.db2.gz ATXRITDXUUKSNP-VAMGGRTRSA-N 3 1 345.531 3.251 20 0 EGADMP COc1cccc(C[NH+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCC[N@H+](C)CC2)c1 ZINC001254511481 1377105813 /nfs/dbraw/zinc/10/58/13/1377105813.db2.gz ATXRITDXUUKSNP-VAMGGRTRSA-N 3 1 345.531 3.251 20 0 EGADMP COc1cccc(C[NH+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254511481 1377105815 /nfs/dbraw/zinc/10/58/15/1377105815.db2.gz ATXRITDXUUKSNP-VAMGGRTRSA-N 3 1 345.531 3.251 20 0 EGADMP COc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCCN(C)CC2)c1 ZINC001254511481 1377105817 /nfs/dbraw/zinc/10/58/17/1377105817.db2.gz ATXRITDXUUKSNP-VAMGGRTRSA-N 2 1 345.531 3.251 20 0 EGADMP COc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCCN(C)CC2)c1 ZINC001254511481 1377105820 /nfs/dbraw/zinc/10/58/20/1377105820.db2.gz ATXRITDXUUKSNP-VAMGGRTRSA-N 2 1 345.531 3.251 20 0 EGADMP CCOc1ccc(NC2CC[NH+]([C@@H]3CCC[N@@H+](C)CC3)CC2)cc1 ZINC001254528942 1377107169 /nfs/dbraw/zinc/10/71/69/1377107169.db2.gz AZWNPMSBPRGJDQ-LJQANCHMSA-N 2 1 331.504 3.446 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135475554 1377110152 /nfs/dbraw/zinc/11/01/52/1377110152.db2.gz CEFMXAZREWEKSC-ROUUACIJSA-N 2 1 349.563 3.482 20 0 EGADMP CC(C)CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135476665 1377110467 /nfs/dbraw/zinc/11/04/67/1377110467.db2.gz LWAQWWXEDKGXNZ-SJORKVTESA-N 2 1 327.557 3.273 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1=CCCCC1 ZINC001135680338 1377181826 /nfs/dbraw/zinc/18/18/26/1377181826.db2.gz UVLUTLQTCHOPPY-DLBZAZTESA-N 2 1 346.519 3.345 20 0 EGADMP CCCc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC)cc1 ZINC001135860932 1377237957 /nfs/dbraw/zinc/23/79/57/1377237957.db2.gz JSVKNILUCOJQDG-ROUUACIJSA-N 2 1 347.547 3.354 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135860823 1377238226 /nfs/dbraw/zinc/23/82/26/1377238226.db2.gz HZMFIEDQOLBKGD-QZTJIDSGSA-N 2 1 333.520 3.018 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001135861924 1377238565 /nfs/dbraw/zinc/23/85/65/1377238565.db2.gz YZEKFGJMGWDEOX-HUUCEWRRSA-N 2 1 347.494 3.027 20 0 EGADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CCC1CCCC1 ZINC001266282589 1377258206 /nfs/dbraw/zinc/25/82/06/1377258206.db2.gz IIJKEVNZOVSVKV-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CCC1CCCC1 ZINC001266282589 1377258210 /nfs/dbraw/zinc/25/82/10/1377258210.db2.gz IIJKEVNZOVSVKV-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CCC1CCCC1 ZINC001266282589 1377258214 /nfs/dbraw/zinc/25/82/14/1377258214.db2.gz IIJKEVNZOVSVKV-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001135976321 1377284627 /nfs/dbraw/zinc/28/46/27/1377284627.db2.gz IXJLDHVKXGNCKJ-ZWKOTPCHSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001135977175 1377284654 /nfs/dbraw/zinc/28/46/54/1377284654.db2.gz QIRYJQJTCYXVJW-RBUKOAKNSA-N 2 1 347.547 3.327 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135997084 1377292960 /nfs/dbraw/zinc/29/29/60/1377292960.db2.gz YCWWRQJKNRKVAR-MOPGFXCFSA-N 2 1 347.547 3.408 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CC1CCC(C)(C)CC1 ZINC001266492748 1377321100 /nfs/dbraw/zinc/32/11/00/1377321100.db2.gz WBNBXSXIDHMKNU-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001266492748 1377321101 /nfs/dbraw/zinc/32/11/01/1377321101.db2.gz WBNBXSXIDHMKNU-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1CC1CCC(C)(C)CC1 ZINC001266492748 1377321103 /nfs/dbraw/zinc/32/11/03/1377321103.db2.gz WBNBXSXIDHMKNU-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001266819651 1377385936 /nfs/dbraw/zinc/38/59/36/1377385936.db2.gz COCUGHBLYUWHNJ-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1C(C)C ZINC001267279604 1377437295 /nfs/dbraw/zinc/43/72/95/1377437295.db2.gz HYLBCXIIWALODF-LJQANCHMSA-N 2 1 345.531 3.232 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1C(C)C ZINC001267279604 1377437297 /nfs/dbraw/zinc/43/72/97/1377437297.db2.gz HYLBCXIIWALODF-LJQANCHMSA-N 2 1 345.531 3.232 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1C(C)C ZINC001267279604 1377437299 /nfs/dbraw/zinc/43/72/99/1377437299.db2.gz HYLBCXIIWALODF-LJQANCHMSA-N 2 1 345.531 3.232 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001268236377 1377499785 /nfs/dbraw/zinc/49/97/85/1377499785.db2.gz GIPHTFDDFQIKCZ-FQEVSTJZSA-N 2 1 349.563 3.413 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1ccccc1CC ZINC001268239883 1377500748 /nfs/dbraw/zinc/50/07/48/1377500748.db2.gz RRFRHYXWXGHUEJ-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)Cc1ccccc1CC ZINC001268239883 1377500751 /nfs/dbraw/zinc/50/07/51/1377500751.db2.gz RRFRHYXWXGHUEJ-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccccc1CC ZINC001268239883 1377500753 /nfs/dbraw/zinc/50/07/53/1377500753.db2.gz RRFRHYXWXGHUEJ-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ncnc2c1CC[N@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)CC2 ZINC001138542574 1377738793 /nfs/dbraw/zinc/73/87/93/1377738793.db2.gz FPKCQHJLLOLUKC-UHFFFAOYSA-N 2 1 347.466 3.134 20 0 EGADMP CCc1ncnc2c1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)CC2 ZINC001138542574 1377738796 /nfs/dbraw/zinc/73/87/96/1377738796.db2.gz FPKCQHJLLOLUKC-UHFFFAOYSA-N 2 1 347.466 3.134 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(N3CC(F)(F)C3)CC2)cc1 ZINC001138548212 1377740160 /nfs/dbraw/zinc/74/01/60/1377740160.db2.gz ACWXXIPBYJYOHJ-UHFFFAOYSA-N 2 1 346.425 3.096 20 0 EGADMP COc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)c2c(OC)cccc12 ZINC001138749922 1377780349 /nfs/dbraw/zinc/78/03/49/1377780349.db2.gz LJXOLABXYZIMGM-UHFFFAOYSA-N 2 1 328.456 3.383 20 0 EGADMP COc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)c2c(OC)cccc12 ZINC001138749922 1377780350 /nfs/dbraw/zinc/78/03/50/1377780350.db2.gz LJXOLABXYZIMGM-UHFFFAOYSA-N 2 1 328.456 3.383 20 0 EGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC001138987765 1377813888 /nfs/dbraw/zinc/81/38/88/1377813888.db2.gz YJTBLAJTOFFECZ-UHFFFAOYSA-N 2 1 325.456 3.499 20 0 EGADMP CCOc1ccc(Br)cc1C[N@@H+](C)C1CCN(C)CC1 ZINC001138990382 1377814958 /nfs/dbraw/zinc/81/49/58/1377814958.db2.gz XLECVQFVMOOKBP-UHFFFAOYSA-N 2 1 341.293 3.374 20 0 EGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cccc3c2ccn3C)CC1 ZINC001139158480 1377841621 /nfs/dbraw/zinc/84/16/21/1377841621.db2.gz BHVNLFWQDBEZSA-IBGZPJMESA-N 2 1 341.499 3.254 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cccc3c2ccn3C)CC1 ZINC001139158480 1377841622 /nfs/dbraw/zinc/84/16/22/1377841622.db2.gz BHVNLFWQDBEZSA-IBGZPJMESA-N 2 1 341.499 3.254 20 0 EGADMP Nc1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001139229566 1377856808 /nfs/dbraw/zinc/85/68/08/1377856808.db2.gz DCJOTCBOMSAZBY-SJORKVTESA-N 2 1 342.512 3.069 20 0 EGADMP Nc1ncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001139229566 1377856814 /nfs/dbraw/zinc/85/68/14/1377856814.db2.gz DCJOTCBOMSAZBY-SJORKVTESA-N 2 1 342.512 3.069 20 0 EGADMP Nc1ncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001139229566 1377856823 /nfs/dbraw/zinc/85/68/23/1377856823.db2.gz DCJOTCBOMSAZBY-SJORKVTESA-N 2 1 342.512 3.069 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(-n2cncn2)cc1 ZINC001139334338 1377869347 /nfs/dbraw/zinc/86/93/47/1377869347.db2.gz RCKSIEIAOVDZHJ-PMACEKPBSA-N 2 1 339.487 3.106 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC001139334338 1377869350 /nfs/dbraw/zinc/86/93/50/1377869350.db2.gz RCKSIEIAOVDZHJ-PMACEKPBSA-N 2 1 339.487 3.106 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cncn2)cc1 ZINC001139334338 1377869353 /nfs/dbraw/zinc/86/93/53/1377869353.db2.gz RCKSIEIAOVDZHJ-PMACEKPBSA-N 2 1 339.487 3.106 20 0 EGADMP C[N@H+](Cc1c[nH]c2ncc(C(F)(F)F)cc12)CC1CC[NH+](C)CC1 ZINC001139538598 1377900547 /nfs/dbraw/zinc/90/05/47/1377900547.db2.gz RVQCQUWUDQWEGT-UHFFFAOYSA-N 2 1 340.393 3.355 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cnc(Cl)c(C)c2)CC1 ZINC001139544670 1377902122 /nfs/dbraw/zinc/90/21/22/1377902122.db2.gz VWLRNFQRVBKOAP-UHFFFAOYSA-N 2 1 330.863 3.486 20 0 EGADMP CC[NH+](CC)CCN1CC[NH+](Cc2ccccc2C(F)F)CC1 ZINC001139796794 1377952175 /nfs/dbraw/zinc/95/21/75/1377952175.db2.gz YYDHTSFRBUCJQI-UHFFFAOYSA-N 2 1 325.447 3.084 20 0 EGADMP C[N@H+](Cc1cnc(Br)cc1Cl)CC1CC[NH+](C)CC1 ZINC001140077433 1378002093 /nfs/dbraw/zinc/00/20/93/1378002093.db2.gz DZYJXBLEDSOHQS-UHFFFAOYSA-N 2 1 346.700 3.271 20 0 EGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1c[nH]c2ncnc(Cl)c12 ZINC001139939321 1377979813 /nfs/dbraw/zinc/97/98/13/1377979813.db2.gz XFCSFHPTLJABOU-GJZGRUSLSA-N 2 1 347.894 3.402 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1c[nH]c2ncnc(Cl)c12 ZINC001139939321 1377979814 /nfs/dbraw/zinc/97/98/14/1377979814.db2.gz XFCSFHPTLJABOU-GJZGRUSLSA-N 2 1 347.894 3.402 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2ncnc(Cl)c12 ZINC001139939321 1377979815 /nfs/dbraw/zinc/97/98/15/1377979815.db2.gz XFCSFHPTLJABOU-GJZGRUSLSA-N 2 1 347.894 3.402 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1c[nH]c2ncnc(Cl)c12 ZINC001139939321 1377979816 /nfs/dbraw/zinc/97/98/16/1377979816.db2.gz XFCSFHPTLJABOU-GJZGRUSLSA-N 2 1 347.894 3.402 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(Cc3cccnn3)C[C@@H]21 ZINC001139972443 1377985481 /nfs/dbraw/zinc/98/54/81/1377985481.db2.gz OKSYMIGSYWSDSQ-ZYSHUDEJSA-N 2 1 342.512 3.271 20 0 EGADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccnn3)C[C@@H]21 ZINC001139972443 1377985482 /nfs/dbraw/zinc/98/54/82/1377985482.db2.gz OKSYMIGSYWSDSQ-ZYSHUDEJSA-N 2 1 342.512 3.271 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccnn3)C[C@@H]21 ZINC001139972443 1377985483 /nfs/dbraw/zinc/98/54/83/1377985483.db2.gz OKSYMIGSYWSDSQ-ZYSHUDEJSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cccnn3)C[C@@H]21 ZINC001139972443 1377985484 /nfs/dbraw/zinc/98/54/84/1377985484.db2.gz OKSYMIGSYWSDSQ-ZYSHUDEJSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccnn3)C[C@@H]21 ZINC001139972443 1377985485 /nfs/dbraw/zinc/98/54/85/1377985485.db2.gz OKSYMIGSYWSDSQ-ZYSHUDEJSA-N 2 1 342.512 3.271 20 0 EGADMP C[N@@H+](Cc1cnc(Br)cc1Cl)CC1CC[NH+](C)CC1 ZINC001140077433 1378002089 /nfs/dbraw/zinc/00/20/89/1378002089.db2.gz DZYJXBLEDSOHQS-UHFFFAOYSA-N 2 1 346.700 3.271 20 0 EGADMP Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CCC[NH+](C)C)c(C)c1 ZINC001275135848 1378134350 /nfs/dbraw/zinc/13/43/50/1378134350.db2.gz ODLVRDFVGXHZJB-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP FC(F)c1ccccc1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001275391013 1378139161 /nfs/dbraw/zinc/13/91/61/1378139161.db2.gz ADPQJBMLIABKDQ-UHFFFAOYSA-N 2 1 346.425 3.445 20 0 EGADMP CCOC[C@@H]1COCCC12CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140803788 1378140547 /nfs/dbraw/zinc/14/05/47/1378140547.db2.gz WNBWCICIIMQPFY-QGZVFWFLSA-N 2 1 343.471 3.218 20 0 EGADMP Cc1ccc2ccccc2c1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001275768295 1378156500 /nfs/dbraw/zinc/15/65/00/1378156500.db2.gz RFPWYUBYTFVFGA-BGYRXZFFSA-N 2 1 337.511 3.358 20 0 EGADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc(OC(F)(F)F)c(F)c3)C2)C1 ZINC001140887554 1378169935 /nfs/dbraw/zinc/16/99/35/1378169935.db2.gz GCEOFESBVXHODH-OAHLLOKOSA-N 2 1 332.341 3.252 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCc3sccc3C2)CC1 ZINC001140970524 1378196071 /nfs/dbraw/zinc/19/60/71/1378196071.db2.gz LNBQZLWPZYYHFL-UHFFFAOYSA-N 2 1 327.497 3.058 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2cnccc2C)CC1 ZINC001141036694 1378216175 /nfs/dbraw/zinc/21/61/75/1378216175.db2.gz FRBSCGOLDIGGOM-UHFFFAOYSA-N 2 1 332.536 3.020 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccc(-n3ccnc3)c2)CC1 ZINC001141239623 1378280235 /nfs/dbraw/zinc/28/02/35/1378280235.db2.gz ACIXTBDUSQWLDB-UHFFFAOYSA-N 2 1 347.466 3.315 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001278526824 1378280660 /nfs/dbraw/zinc/28/06/60/1378280660.db2.gz NCESLVMRKAVMKM-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001278526824 1378280667 /nfs/dbraw/zinc/28/06/67/1378280667.db2.gz NCESLVMRKAVMKM-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001278526824 1378280672 /nfs/dbraw/zinc/28/06/72/1378280672.db2.gz NCESLVMRKAVMKM-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP COc1cc(F)c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1OC ZINC001141281672 1378290840 /nfs/dbraw/zinc/29/08/40/1378290840.db2.gz JTPJMPMBZUDNHH-UHFFFAOYSA-N 2 1 338.467 3.395 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)C1CCCCC1 ZINC001141406361 1378319008 /nfs/dbraw/zinc/31/90/08/1378319008.db2.gz SDNGDFDOQVOUAM-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OC4CCOCC4)cc3)C[C@@H]2C1 ZINC001141418139 1378321445 /nfs/dbraw/zinc/32/14/45/1378321445.db2.gz NMVUTTXHXGJJOR-KDURUIRLSA-N 2 1 344.499 3.018 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OC4CCOCC4)cc3)C[C@@H]2C1 ZINC001141418139 1378321448 /nfs/dbraw/zinc/32/14/48/1378321448.db2.gz NMVUTTXHXGJJOR-KDURUIRLSA-N 2 1 344.499 3.018 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OC4CCOCC4)cc3)C[C@@H]2C1 ZINC001141418139 1378321453 /nfs/dbraw/zinc/32/14/53/1378321453.db2.gz NMVUTTXHXGJJOR-KDURUIRLSA-N 2 1 344.499 3.018 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OC4CCOCC4)cc3)C[C@@H]2C1 ZINC001141418139 1378321457 /nfs/dbraw/zinc/32/14/57/1378321457.db2.gz NMVUTTXHXGJJOR-KDURUIRLSA-N 2 1 344.499 3.018 20 0 EGADMP CN(CCC[N@@H+](C)CCC1CCCCCC1)C(=O)[C@H]1CCC[NH+]1C ZINC001280794013 1378379165 /nfs/dbraw/zinc/37/91/65/1378379165.db2.gz QRMZIWVDSCXOEN-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CN(CCC[NH+](C)CCC1CCCCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001280794013 1378379170 /nfs/dbraw/zinc/37/91/70/1378379170.db2.gz QRMZIWVDSCXOEN-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CN(CCC[NH+](C)CCC1CCCCCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001280794013 1378379177 /nfs/dbraw/zinc/37/91/77/1378379177.db2.gz QRMZIWVDSCXOEN-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4ccnc5[nH]ccc54)C[C@@H]3C2)c1 ZINC001142874557 1378501226 /nfs/dbraw/zinc/50/12/26/1378501226.db2.gz XZQFXTPQOWFLDJ-HZPDHXFCSA-N 2 1 338.480 3.188 20 0 EGADMP C[NH+]1CCC2(C[NH+](Cc3cc(F)cc(OC(F)(F)F)c3)C2)CC1 ZINC001143262062 1378571640 /nfs/dbraw/zinc/57/16/40/1378571640.db2.gz IUGDMQDHZWVUQH-UHFFFAOYSA-N 2 1 332.341 3.252 20 0 EGADMP C[N@H+](Cc1cc(F)cc(OC(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC001143265114 1378572431 /nfs/dbraw/zinc/57/24/31/1378572431.db2.gz XAVMODXUVSNHEQ-UHFFFAOYSA-N 2 1 334.357 3.498 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(F)c(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001143442708 1378597657 /nfs/dbraw/zinc/59/76/57/1378597657.db2.gz WNYODAUNPIJLKU-OLZOCXBDSA-N 2 1 332.341 3.108 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(F)c(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001143442708 1378597659 /nfs/dbraw/zinc/59/76/59/1378597659.db2.gz WNYODAUNPIJLKU-OLZOCXBDSA-N 2 1 332.341 3.108 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(F)c(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001143442708 1378597663 /nfs/dbraw/zinc/59/76/63/1378597663.db2.gz WNYODAUNPIJLKU-OLZOCXBDSA-N 2 1 332.341 3.108 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001143442708 1378597669 /nfs/dbraw/zinc/59/76/69/1378597669.db2.gz WNYODAUNPIJLKU-OLZOCXBDSA-N 2 1 332.341 3.108 20 0 EGADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(OC)c(C(F)(F)F)c1 ZINC001143646530 1378630805 /nfs/dbraw/zinc/63/08/05/1378630805.db2.gz SKUQBVUSQWZCLK-UHFFFAOYSA-N 2 1 327.350 3.433 20 0 EGADMP Cn1nnc2cc(C[N@H+](C)C3CC[NH+](C4CCCCC4)CC3)ccc21 ZINC001144641819 1378754456 /nfs/dbraw/zinc/75/44/56/1378754456.db2.gz GSRKCNLDUFESGP-UHFFFAOYSA-N 2 1 341.503 3.197 20 0 EGADMP Cn1nnc2cc(C[N@@H+](C)C3CC[NH+](C4CCCCC4)CC3)ccc21 ZINC001144641819 1378754458 /nfs/dbraw/zinc/75/44/58/1378754458.db2.gz GSRKCNLDUFESGP-UHFFFAOYSA-N 2 1 341.503 3.197 20 0 EGADMP CC[N@H+](CCC[NH+](C)C)Cc1c[nH]c2cc(Br)cnc12 ZINC001144706736 1378761888 /nfs/dbraw/zinc/76/18/88/1378761888.db2.gz LZPRNRBSTJVNIE-UHFFFAOYSA-N 2 1 339.281 3.099 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2cc(Br)cnc12 ZINC001144706736 1378761890 /nfs/dbraw/zinc/76/18/90/1378761890.db2.gz LZPRNRBSTJVNIE-UHFFFAOYSA-N 2 1 339.281 3.099 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC([N@@H+](C)CCCC(C)(C)C)CC2)CC1 ZINC001283324528 1378807908 /nfs/dbraw/zinc/80/79/08/1378807908.db2.gz ABTRIVZANRJLAQ-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001146591926 1378872860 /nfs/dbraw/zinc/87/28/60/1378872860.db2.gz IJABXWKGKUPWCR-STQMWFEESA-N 2 1 345.940 3.115 20 0 EGADMP CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707589 1378903954 /nfs/dbraw/zinc/90/39/54/1378903954.db2.gz UJHHTQZABCBFBM-PWBPZBFBSA-N 2 1 345.531 3.348 20 0 EGADMP CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707589 1378903960 /nfs/dbraw/zinc/90/39/60/1378903960.db2.gz UJHHTQZABCBFBM-PWBPZBFBSA-N 2 1 345.531 3.348 20 0 EGADMP CC(C)[C@H](C(=O)NCc1ccc2c(c1)C[N@H+](CCC1CC1)C2)[NH+](C)C ZINC001327696405 1388586710 /nfs/dbraw/zinc/58/67/10/1388586710.db2.gz RKSVQBQQRDAJCV-HXUWFJFHSA-N 2 1 343.515 3.005 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH2+]CCCC(C)(C)C)c1ccccc1 ZINC001147457336 1379025377 /nfs/dbraw/zinc/02/53/77/1379025377.db2.gz FGTNYLYSJRNRGI-GOSISDBHSA-N 2 1 333.520 3.212 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH2+]CC1CCCCCC1)c1ccccc1 ZINC001147457511 1379025469 /nfs/dbraw/zinc/02/54/69/1379025469.db2.gz GNWPVQMOUJRMHW-HXUWFJFHSA-N 2 1 345.531 3.356 20 0 EGADMP CCCC[N@H+]1Cc2ccc(CNC(=O)C[NH+](C)CC(C)(C)C)cc2C1 ZINC001327696855 1388586785 /nfs/dbraw/zinc/58/67/85/1388586785.db2.gz YLPPVGSZJDWGMC-UHFFFAOYSA-N 2 1 345.531 3.396 20 0 EGADMP CCCC[NH+]1Cc2ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)cc2C1 ZINC001327696855 1388586790 /nfs/dbraw/zinc/58/67/90/1388586790.db2.gz YLPPVGSZJDWGMC-UHFFFAOYSA-N 2 1 345.531 3.396 20 0 EGADMP CCCC[NH+]1Cc2ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)cc2C1 ZINC001327696855 1388586793 /nfs/dbraw/zinc/58/67/93/1388586793.db2.gz YLPPVGSZJDWGMC-UHFFFAOYSA-N 2 1 345.531 3.396 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)c3cccc4nccn43)C2)C1 ZINC001147883188 1379096979 /nfs/dbraw/zinc/09/69/79/1379096979.db2.gz LGHNDQJZOVISSE-UHFFFAOYSA-N 2 1 340.471 3.063 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001148125795 1379121712 /nfs/dbraw/zinc/12/17/12/1379121712.db2.gz QXRDEPVYZSMORG-LJQANCHMSA-N 2 1 349.563 3.223 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001148125795 1379121713 /nfs/dbraw/zinc/12/17/13/1379121713.db2.gz QXRDEPVYZSMORG-LJQANCHMSA-N 2 1 349.563 3.223 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001148125795 1379121715 /nfs/dbraw/zinc/12/17/15/1379121715.db2.gz QXRDEPVYZSMORG-LJQANCHMSA-N 2 1 349.563 3.223 20 0 EGADMP CC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477545 1379182785 /nfs/dbraw/zinc/18/27/85/1379182785.db2.gz XAOFCDGIGXTHRR-VJIACCKLSA-N 2 1 349.563 3.243 20 0 EGADMP CC/C=C/CC[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001148777133 1379266065 /nfs/dbraw/zinc/26/60/65/1379266065.db2.gz ACYFFXNHCYHVPN-ONEGZZNKSA-N 2 1 347.547 3.143 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC1CCC(C)(C)CC1)C2 ZINC001148838920 1379279722 /nfs/dbraw/zinc/27/97/22/1379279722.db2.gz HVLATQWTSKBBOP-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CC1CCC(C)(C)CC1)C2 ZINC001148838920 1379279725 /nfs/dbraw/zinc/27/97/25/1379279725.db2.gz HVLATQWTSKBBOP-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CC1CCC(C)(C)CC1)C2 ZINC001148838920 1379279728 /nfs/dbraw/zinc/27/97/28/1379279728.db2.gz HVLATQWTSKBBOP-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001152148792 1379872792 /nfs/dbraw/zinc/87/27/92/1379872792.db2.gz RIMHWNGONIXMCE-CALCHBBNSA-N 2 1 345.531 3.063 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C2CCCCC2)cc1 ZINC001152427261 1379932719 /nfs/dbraw/zinc/93/27/19/1379932719.db2.gz VLGWESWRJYIEOT-UHFFFAOYSA-N 2 1 345.531 3.280 20 0 EGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153388231 1380067921 /nfs/dbraw/zinc/06/79/21/1380067921.db2.gz XBNITWBPJSQZFW-XLIONFOSSA-N 2 1 347.547 3.045 20 0 EGADMP CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153678090 1380113687 /nfs/dbraw/zinc/11/36/87/1380113687.db2.gz WUHBWQXHCHQBRG-CQSZACIVSA-N 2 1 337.533 3.050 20 0 EGADMP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824194 1380137424 /nfs/dbraw/zinc/13/74/24/1380137424.db2.gz OHPVCSRFDVJBBR-VQIMIIECSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033626 1380187503 /nfs/dbraw/zinc/18/75/03/1380187503.db2.gz GVFJECRIMZJLQS-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154033626 1380187506 /nfs/dbraw/zinc/18/75/06/1380187506.db2.gz GVFJECRIMZJLQS-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154033626 1380187508 /nfs/dbraw/zinc/18/75/08/1380187508.db2.gz GVFJECRIMZJLQS-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455688 1380281081 /nfs/dbraw/zinc/28/10/81/1380281081.db2.gz ZWILBCDQRDEUPG-JISXSJDESA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154480628 1380285630 /nfs/dbraw/zinc/28/56/30/1380285630.db2.gz BEHXOUCMFRKVEA-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@@H+](CC[C@H](C)F)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154481299 1380285713 /nfs/dbraw/zinc/28/57/13/1380285713.db2.gz MDVTZSKICIXPFI-DLBZAZTESA-N 2 1 343.531 3.073 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](CC)CC(CC)CC)C1 ZINC001154784641 1380350860 /nfs/dbraw/zinc/35/08/60/1380350860.db2.gz JLTMMRNDOXNBRU-MJGOQNOKSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC(CC)CC)C1 ZINC001154784641 1380350861 /nfs/dbraw/zinc/35/08/61/1380350861.db2.gz JLTMMRNDOXNBRU-MJGOQNOKSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC(CC)CC)C1 ZINC001154784641 1380350863 /nfs/dbraw/zinc/35/08/63/1380350863.db2.gz JLTMMRNDOXNBRU-MJGOQNOKSA-N 2 1 339.568 3.371 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888845 1380373744 /nfs/dbraw/zinc/37/37/44/1380373744.db2.gz WIVDDZSHFUSTDH-ROJDOSBLSA-N 2 1 335.492 3.138 20 0 EGADMP CCc1cccc(C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001155067360 1380402578 /nfs/dbraw/zinc/40/25/78/1380402578.db2.gz XKLVSYCILZDCIW-YLJYHZDGSA-N 2 1 347.547 3.162 20 0 EGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155085810 1380405930 /nfs/dbraw/zinc/40/59/30/1380405930.db2.gz UEBUNQWKXBZRMB-UYAOXDASSA-N 2 1 347.547 3.216 20 0 EGADMP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH]cnc21 ZINC001155193199 1380422528 /nfs/dbraw/zinc/42/25/28/1380422528.db2.gz ICZJUCZXAABMPX-NVXWUHKLSA-N 2 1 346.519 3.237 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH]cnc21 ZINC001155193199 1380422529 /nfs/dbraw/zinc/42/25/29/1380422529.db2.gz ICZJUCZXAABMPX-NVXWUHKLSA-N 2 1 346.519 3.237 20 0 EGADMP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244381 1380428627 /nfs/dbraw/zinc/42/86/27/1380428627.db2.gz PIHLNLJZNUBSRF-SJLPKXTDSA-N 2 1 348.535 3.017 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244381 1380428629 /nfs/dbraw/zinc/42/86/29/1380428629.db2.gz PIHLNLJZNUBSRF-SJLPKXTDSA-N 2 1 348.535 3.017 20 0 EGADMP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244370 1380428671 /nfs/dbraw/zinc/42/86/71/1380428671.db2.gz PBILWUSGQMDTLG-WBVHZDCISA-N 2 1 348.535 3.017 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244370 1380428673 /nfs/dbraw/zinc/42/86/73/1380428673.db2.gz PBILWUSGQMDTLG-WBVHZDCISA-N 2 1 348.535 3.017 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001155611480 1380473560 /nfs/dbraw/zinc/47/35/60/1380473560.db2.gz FYNDGUFUJSZYAH-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631026 1380476209 /nfs/dbraw/zinc/47/62/09/1380476209.db2.gz HGMYNOPWNGAHTL-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001328079671 1388663317 /nfs/dbraw/zinc/66/33/17/1388663317.db2.gz DYPMPRLQROUCHD-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001156341972 1380561700 /nfs/dbraw/zinc/56/17/00/1380561700.db2.gz PJDHVBUSPFVDGE-WIYYLYMNSA-N 2 1 347.547 3.480 20 0 EGADMP CC[N@@H+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156465669 1380579351 /nfs/dbraw/zinc/57/93/51/1380579351.db2.gz DSXYMPWMFYLPKJ-KWRJMZDGSA-N 2 1 345.531 3.258 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475353 1380580850 /nfs/dbraw/zinc/58/08/50/1380580850.db2.gz ASDKYTLZSNMXCL-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)C/C=C\c1ccccc1 ZINC001156510133 1380586217 /nfs/dbraw/zinc/58/62/17/1380586217.db2.gz JCGZTPQXOCFGRH-QTJNJRLBSA-N 2 1 345.531 3.258 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)C/C=C\c1ccccc1 ZINC001156510133 1380586218 /nfs/dbraw/zinc/58/62/18/1380586218.db2.gz JCGZTPQXOCFGRH-QTJNJRLBSA-N 2 1 345.531 3.258 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)C/C=C\c1ccccc1 ZINC001156510133 1380586219 /nfs/dbraw/zinc/58/62/19/1380586219.db2.gz JCGZTPQXOCFGRH-QTJNJRLBSA-N 2 1 345.531 3.258 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)CCCC(C)(C)C ZINC001156516924 1380587471 /nfs/dbraw/zinc/58/74/71/1380587471.db2.gz HRCZIGSPWXGWLD-QGZVFWFLSA-N 2 1 327.557 3.371 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CCCC(C)(C)C ZINC001156516924 1380587472 /nfs/dbraw/zinc/58/74/72/1380587472.db2.gz HRCZIGSPWXGWLD-QGZVFWFLSA-N 2 1 327.557 3.371 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CCCC(C)(C)C ZINC001156516924 1380587473 /nfs/dbraw/zinc/58/74/73/1380587473.db2.gz HRCZIGSPWXGWLD-QGZVFWFLSA-N 2 1 327.557 3.371 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CCCC1CCCC1 ZINC001156525709 1380588126 /nfs/dbraw/zinc/58/81/26/1380588126.db2.gz VKEOPKFZWYUGOG-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CCCC1CCCC1 ZINC001156525709 1380588127 /nfs/dbraw/zinc/58/81/27/1380588127.db2.gz VKEOPKFZWYUGOG-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CCCC1CCCC1 ZINC001156525709 1380588128 /nfs/dbraw/zinc/58/81/28/1380588128.db2.gz VKEOPKFZWYUGOG-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157086077 1380772499 /nfs/dbraw/zinc/77/24/99/1380772499.db2.gz BHLJIMAATUIANY-QGZVFWFLSA-N 2 1 331.504 3.155 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109933 1380778341 /nfs/dbraw/zinc/77/83/41/1380778341.db2.gz WGCJQHUXYNJXCZ-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001157109933 1380778344 /nfs/dbraw/zinc/77/83/44/1380778344.db2.gz WGCJQHUXYNJXCZ-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001157109933 1380778349 /nfs/dbraw/zinc/77/83/49/1380778349.db2.gz WGCJQHUXYNJXCZ-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001157110011 1380779175 /nfs/dbraw/zinc/77/91/75/1380779175.db2.gz XRCCJIJXDBMCEU-MOPGFXCFSA-N 2 1 337.552 3.290 20 0 EGADMP CN(CC[N@@H+](C)Cc1ccccc1)c1ccc(C[NH+](C)C2CC2)cn1 ZINC001157557127 1380965083 /nfs/dbraw/zinc/96/50/83/1380965083.db2.gz UYRVLEOOCJEHRH-UHFFFAOYSA-N 2 1 338.499 3.244 20 0 EGADMP CN(CC[NH+](C)Cc1ccccc1)c1ccc(C[N@H+](C)C2CC2)cn1 ZINC001157557127 1380965085 /nfs/dbraw/zinc/96/50/85/1380965085.db2.gz UYRVLEOOCJEHRH-UHFFFAOYSA-N 2 1 338.499 3.244 20 0 EGADMP CN(CC[NH+](C)Cc1ccccc1)c1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001157557127 1380965091 /nfs/dbraw/zinc/96/50/91/1380965091.db2.gz UYRVLEOOCJEHRH-UHFFFAOYSA-N 2 1 338.499 3.244 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001157899266 1381065035 /nfs/dbraw/zinc/06/50/35/1381065035.db2.gz LWMWJZDTPQDUNH-RTBURBONSA-N 2 1 331.504 3.106 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CCCC1CCC1 ZINC001328254587 1388700014 /nfs/dbraw/zinc/70/00/14/1388700014.db2.gz DZDXZXKMYBCWJP-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CCC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158100262 1381127784 /nfs/dbraw/zinc/12/77/84/1381127784.db2.gz ZLVDXWAJYWDGQU-GOSISDBHSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1c[nH+]ccc1N1CCN(c2[nH+]ccc3c4c([nH]c32)CCC4)CC1 ZINC001158110064 1381130114 /nfs/dbraw/zinc/13/01/14/1381130114.db2.gz JPCVPXCDEOQKKG-UHFFFAOYSA-N 2 1 333.439 3.082 20 0 EGADMP CC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001158554390 1381296034 /nfs/dbraw/zinc/29/60/34/1381296034.db2.gz JIVLIAYWXPMBKZ-KKHYBRAUSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC001158554724 1381296586 /nfs/dbraw/zinc/29/65/86/1381296586.db2.gz NCAQXNYEINJRKK-GOSISDBHSA-N 2 1 348.535 3.366 20 0 EGADMP CC(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC001158554724 1381296590 /nfs/dbraw/zinc/29/65/90/1381296590.db2.gz NCAQXNYEINJRKK-GOSISDBHSA-N 2 1 348.535 3.366 20 0 EGADMP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001158598250 1381315121 /nfs/dbraw/zinc/31/51/21/1381315121.db2.gz VKDPOYBENOKTCN-IEBWSBKVSA-N 2 1 348.535 3.331 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001158598250 1381315127 /nfs/dbraw/zinc/31/51/27/1381315127.db2.gz VKDPOYBENOKTCN-IEBWSBKVSA-N 2 1 348.535 3.331 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CCCF ZINC001158631718 1381331452 /nfs/dbraw/zinc/33/14/52/1381331452.db2.gz ZPZCKQDENYRCCR-GOSISDBHSA-N 2 1 343.531 3.171 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCF ZINC001158631718 1381331461 /nfs/dbraw/zinc/33/14/61/1381331461.db2.gz ZPZCKQDENYRCCR-GOSISDBHSA-N 2 1 343.531 3.171 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCF ZINC001158631718 1381331474 /nfs/dbraw/zinc/33/14/74/1381331474.db2.gz ZPZCKQDENYRCCR-GOSISDBHSA-N 2 1 343.531 3.171 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001158909658 1381460366 /nfs/dbraw/zinc/46/03/66/1381460366.db2.gz UGGGDBOQIKFJOZ-LJQANCHMSA-N 2 1 337.552 3.366 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CCC(C)(C)C ZINC001328361427 1388729805 /nfs/dbraw/zinc/72/98/05/1388729805.db2.gz IHGVPVJGJVAUEG-DLBZAZTESA-N 2 1 325.541 3.027 20 0 EGADMP CC[NH+](CC)c1ccc(Nc2ccc(N3CC[C@@H]([NH3+])C3)nc2)cc1 ZINC001159327973 1381764215 /nfs/dbraw/zinc/76/42/15/1381764215.db2.gz KZVWCMABLCUCBE-OAHLLOKOSA-N 2 1 325.460 3.209 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001159839320 1381917054 /nfs/dbraw/zinc/91/70/54/1381917054.db2.gz YEOYHYLCYSTCRE-MOPGFXCFSA-N 2 1 345.531 3.130 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001159902222 1381932682 /nfs/dbraw/zinc/93/26/82/1381932682.db2.gz VBCLVBBVUGZZCD-FQEVSTJZSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001159910691 1381934498 /nfs/dbraw/zinc/93/44/98/1381934498.db2.gz SYFWAAWSMYFHCZ-IBGZPJMESA-N 2 1 335.536 3.236 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159909163 1381934619 /nfs/dbraw/zinc/93/46/19/1381934619.db2.gz KNJYURHVFNROBU-HKUYNNGSSA-N 2 1 337.552 3.172 20 0 EGADMP CC[NH2+]Cc1cccc(Nc2cccc(CC[NH+]3CCOCC3)c2)c1 ZINC001159956859 1381949264 /nfs/dbraw/zinc/94/92/64/1381949264.db2.gz UCVUKCWWNOGMMW-UHFFFAOYSA-N 2 1 339.483 3.414 20 0 EGADMP COc1ccc2cc[nH+]c(NCc3ccccc3N3CC[NH2+]CC3)c2c1 ZINC001160111870 1382000164 /nfs/dbraw/zinc/00/01/64/1382000164.db2.gz FMNRZOOAZLFSSW-UHFFFAOYSA-N 2 1 348.450 3.265 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131029 1382008227 /nfs/dbraw/zinc/00/82/27/1382008227.db2.gz DCMOINIUCHKRCG-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131029 1382008231 /nfs/dbraw/zinc/00/82/31/1382008231.db2.gz DCMOINIUCHKRCG-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001160131029 1382008232 /nfs/dbraw/zinc/00/82/32/1382008232.db2.gz DCMOINIUCHKRCG-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131955 1382009686 /nfs/dbraw/zinc/00/96/86/1382009686.db2.gz YCWDKJBKAZZKPM-PMACEKPBSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131955 1382009687 /nfs/dbraw/zinc/00/96/87/1382009687.db2.gz YCWDKJBKAZZKPM-PMACEKPBSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001160131955 1382009690 /nfs/dbraw/zinc/00/96/90/1382009690.db2.gz YCWDKJBKAZZKPM-PMACEKPBSA-N 2 1 347.547 3.045 20 0 EGADMP Fc1cccc(O[C@@H]2CC[NH2+]C2)c1Nc1cc[nH+]cc1C(F)(F)F ZINC001160135593 1382011512 /nfs/dbraw/zinc/01/15/12/1382011512.db2.gz XJKRKWVKTVOKCP-SNVBAGLBSA-N 2 1 341.308 3.146 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155284 1382018115 /nfs/dbraw/zinc/01/81/15/1382018115.db2.gz BCYCOGSUYVBWDS-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1cccc(O[C@@H]2CCC[NH2+]C2)c1 ZINC001160220774 1382038074 /nfs/dbraw/zinc/03/80/74/1382038074.db2.gz YVKLBZIIGBYYBW-QGZVFWFLSA-N 2 1 326.444 3.330 20 0 EGADMP CCCc1ccc(C[NH2+]CCCNC(=O)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001160274720 1382057986 /nfs/dbraw/zinc/05/79/86/1382057986.db2.gz WCDDLNGRPMWDOD-FQEVSTJZSA-N 2 1 345.531 3.109 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001160275140 1382059424 /nfs/dbraw/zinc/05/94/24/1382059424.db2.gz ZVKIWKJYXXUFHR-HXUWFJFHSA-N 2 1 343.515 3.034 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001160285902 1382061819 /nfs/dbraw/zinc/06/18/19/1382061819.db2.gz KTWCOOJWIIRODB-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001160285902 1382061830 /nfs/dbraw/zinc/06/18/30/1382061830.db2.gz KTWCOOJWIIRODB-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001160285902 1382061833 /nfs/dbraw/zinc/06/18/33/1382061833.db2.gz KTWCOOJWIIRODB-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160360251 1382082893 /nfs/dbraw/zinc/08/28/93/1382082893.db2.gz MJXLCEDNOCOAEB-FXAWDEMLSA-N 2 1 349.563 3.147 20 0 EGADMP CCOC(=O)c1c[nH]c2cc(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)[nH+]cc21 ZINC001160472773 1382115854 /nfs/dbraw/zinc/11/58/54/1382115854.db2.gz NHMRGNVAIPAINL-ZSOGYDGISA-N 2 1 342.443 3.167 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001160473484 1382116917 /nfs/dbraw/zinc/11/69/17/1382116917.db2.gz JPQKXUJXIKZKFK-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001160473484 1382116922 /nfs/dbraw/zinc/11/69/22/1382116922.db2.gz JPQKXUJXIKZKFK-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001160473484 1382116927 /nfs/dbraw/zinc/11/69/27/1382116927.db2.gz JPQKXUJXIKZKFK-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1=CC[NH+](CC2=CCCCC2)CC1 ZINC001160518918 1382129703 /nfs/dbraw/zinc/12/97/03/1382129703.db2.gz SYYITKFLOUBYRY-UHFFFAOYSA-N 2 1 347.547 3.356 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCCC1=CC[N@H+](CC2=CCCCC2)CC1 ZINC001160518918 1382129706 /nfs/dbraw/zinc/12/97/06/1382129706.db2.gz SYYITKFLOUBYRY-UHFFFAOYSA-N 2 1 347.547 3.356 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCCC1=CC[N@@H+](CC2=CCCCC2)CC1 ZINC001160518918 1382129710 /nfs/dbraw/zinc/12/97/10/1382129710.db2.gz SYYITKFLOUBYRY-UHFFFAOYSA-N 2 1 347.547 3.356 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001160560065 1382141885 /nfs/dbraw/zinc/14/18/85/1382141885.db2.gz VCLXFGMWZDZNJW-UHFFFAOYSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)C[NH+]1CC=C(CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001160560065 1382141888 /nfs/dbraw/zinc/14/18/88/1382141888.db2.gz VCLXFGMWZDZNJW-UHFFFAOYSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)C[NH+]1CC=C(CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001160560065 1382141889 /nfs/dbraw/zinc/14/18/89/1382141889.db2.gz VCLXFGMWZDZNJW-UHFFFAOYSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567588 1382144344 /nfs/dbraw/zinc/14/43/44/1382144344.db2.gz GHTUFUBXMSXWLB-QUCCMNQESA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160567588 1382144349 /nfs/dbraw/zinc/14/43/49/1382144349.db2.gz GHTUFUBXMSXWLB-QUCCMNQESA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160567588 1382144355 /nfs/dbraw/zinc/14/43/55/1382144355.db2.gz GHTUFUBXMSXWLB-QUCCMNQESA-N 2 1 349.563 3.291 20 0 EGADMP [NH3+]Cc1ccccc1CNc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001160907299 1382230463 /nfs/dbraw/zinc/23/04/63/1382230463.db2.gz PHMHXLZWFDWXMX-UHFFFAOYSA-N 2 1 330.863 3.402 20 0 EGADMP [NH3+]CCc1cn(C(F)(F)Oc2cccc(Cl)n2)c2cc[nH+]cc12 ZINC001160945815 1382246811 /nfs/dbraw/zinc/24/68/11/1382246811.db2.gz NLNXXIPWTVTVEH-UHFFFAOYSA-N 2 1 338.745 3.172 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001161230708 1382349742 /nfs/dbraw/zinc/34/97/42/1382349742.db2.gz HFVDVDSBSIHJRH-SGQUHAKNSA-N 2 1 335.536 3.211 20 0 EGADMP CCc1cc(NCC2CC[NH+](Cc3ccccn3)CC2)nc(C)[nH+]1 ZINC001161245554 1382353200 /nfs/dbraw/zinc/35/32/00/1382353200.db2.gz DXSUAIRTAYDRDU-UHFFFAOYSA-N 2 1 325.460 3.067 20 0 EGADMP COc1ccc2c(C)cc(N(C3COC3)[C@H]3CC[C@H]([NH3+])CC3)[nH+]c2c1 ZINC001161280690 1382359240 /nfs/dbraw/zinc/35/92/40/1382359240.db2.gz HTZWAZLVNHDBHV-SHTZXODSSA-N 2 1 341.455 3.027 20 0 EGADMP CC(C)=CC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001161356438 1382381763 /nfs/dbraw/zinc/38/17/63/1382381763.db2.gz PBCULGBRVQBKGF-UHFFFAOYSA-N 2 1 344.503 3.111 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001161356438 1382381769 /nfs/dbraw/zinc/38/17/69/1382381769.db2.gz PBCULGBRVQBKGF-UHFFFAOYSA-N 2 1 344.503 3.111 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](Cc2csc(C)c2)CC1 ZINC001161645957 1382469391 /nfs/dbraw/zinc/46/93/91/1382469391.db2.gz VRONJZYCJUWFCH-UHFFFAOYSA-N 2 1 349.544 3.037 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@H+](Cc2csc(C)c2)CC1 ZINC001161645957 1382469393 /nfs/dbraw/zinc/46/93/93/1382469393.db2.gz VRONJZYCJUWFCH-UHFFFAOYSA-N 2 1 349.544 3.037 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](Cc2csc(C)c2)CC1 ZINC001161645957 1382469395 /nfs/dbraw/zinc/46/93/95/1382469395.db2.gz VRONJZYCJUWFCH-UHFFFAOYSA-N 2 1 349.544 3.037 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1=CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001161650242 1382470275 /nfs/dbraw/zinc/47/02/75/1382470275.db2.gz CCZPHWXMWMKORV-GOSISDBHSA-N 2 1 343.515 3.228 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@@H+]([C@H](C)c2ccccc2)CC1 ZINC001161650242 1382470279 /nfs/dbraw/zinc/47/02/79/1382470279.db2.gz CCZPHWXMWMKORV-GOSISDBHSA-N 2 1 343.515 3.228 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@H+]([C@H](C)c2ccccc2)CC1 ZINC001161650242 1382470282 /nfs/dbraw/zinc/47/02/82/1382470282.db2.gz CCZPHWXMWMKORV-GOSISDBHSA-N 2 1 343.515 3.228 20 0 EGADMP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC2=CC[N@@H+](CC3CCC3)CC2)C1 ZINC001161704700 1382485478 /nfs/dbraw/zinc/48/54/78/1382485478.db2.gz GIXIIOACTCAEJG-UXHICEINSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[C@H](C(=O)NCCC1=CC[N@@H+](CC2CC2)CC1)[NH+]1CCCCC1 ZINC001161953329 1382568536 /nfs/dbraw/zinc/56/85/36/1382568536.db2.gz SOARZQOLYHJCNC-HXUWFJFHSA-N 2 1 347.547 3.045 20 0 EGADMP CCOC(=O)c1c[nH]c2cc(Nc3ccc(C[NH3+])c(F)c3)[nH+]cc21 ZINC001162528550 1382781817 /nfs/dbraw/zinc/78/18/17/1382781817.db2.gz GTQVXBQGHQVNOJ-UHFFFAOYSA-N 2 1 328.347 3.081 20 0 EGADMP CC[C@H](C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)C(C)C ZINC001163006705 1382945903 /nfs/dbraw/zinc/94/59/03/1382945903.db2.gz JNSFNTXLNXUTTF-IBGZPJMESA-N 2 1 347.547 3.034 20 0 EGADMP Cc1ccc2c(c1)[C@H](Nc1nc3c(ccn3C)c[nH+]1)CC21CC[NH2+]CC1 ZINC001163023766 1382950106 /nfs/dbraw/zinc/95/01/06/1382950106.db2.gz NFOBEKCIPDGRDP-GOSISDBHSA-N 2 1 347.466 3.455 20 0 EGADMP Cc1cc([NH+]2CCCCC2)ccc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163334025 1383024075 /nfs/dbraw/zinc/02/40/75/1383024075.db2.gz UCSYOTHUJIEOHA-YLJYHZDGSA-N 2 1 329.488 3.308 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CC2CCCCCC2)C1 ZINC001164449607 1383187814 /nfs/dbraw/zinc/18/78/14/1383187814.db2.gz ODEVGCNBJJPCJA-LJQANCHMSA-N 2 1 337.552 3.175 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4ccc5c(n4)C[NH2+]CC5)[C@H]3C2)cc1 ZINC001164486435 1383192023 /nfs/dbraw/zinc/19/20/23/1383192023.db2.gz NZQZRPBVIMHRFG-SLFFLAALSA-N 2 1 348.494 3.050 20 0 EGADMP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531366 1383196972 /nfs/dbraw/zinc/19/69/72/1383196972.db2.gz FVAIDJXGDMNDGY-ZWKOTPCHSA-N 2 1 349.563 3.173 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001164578827 1383201213 /nfs/dbraw/zinc/20/12/13/1383201213.db2.gz UJDMIGZZBUSWIH-QGZVFWFLSA-N 2 1 348.535 3.463 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001164578826 1383201278 /nfs/dbraw/zinc/20/12/78/1383201278.db2.gz UJDMIGZZBUSWIH-KRWDZBQOSA-N 2 1 348.535 3.463 20 0 EGADMP Cc1cccc2cc[nH+]c(N3CCC(C)([NH+]4CCOCC4)CC3)c12 ZINC001165136722 1383235218 /nfs/dbraw/zinc/23/52/18/1383235218.db2.gz PQKZSIGLOFBOGY-UHFFFAOYSA-N 2 1 325.456 3.234 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001165568283 1383311960 /nfs/dbraw/zinc/31/19/60/1383311960.db2.gz HIIWMBDTUDNHGF-SFHVURJKSA-N 2 1 337.552 3.173 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001165809840 1383348507 /nfs/dbraw/zinc/34/85/07/1383348507.db2.gz QFQBSTSKQVRXCI-KRWDZBQOSA-N 2 1 339.568 3.275 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001167225395 1383569760 /nfs/dbraw/zinc/56/97/60/1383569760.db2.gz UEEIRHWRQHMOJO-MSOLQXFVSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001167223881 1383570232 /nfs/dbraw/zinc/57/02/32/1383570232.db2.gz CSBCURBSZUUGRY-QGZVFWFLSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)(C)CC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001167240970 1383573373 /nfs/dbraw/zinc/57/33/73/1383573373.db2.gz XUMKGNNDYLLKSY-UHFFFAOYSA-N 2 1 337.552 3.031 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001167385818 1383618798 /nfs/dbraw/zinc/61/87/98/1383618798.db2.gz UUWVBOGNTHBRIN-IBGZPJMESA-N 2 1 349.563 3.316 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167426757 1383630639 /nfs/dbraw/zinc/63/06/39/1383630639.db2.gz YFWMTAFEJYDRBT-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CC[C@@H](C)F)CC1 ZINC001167470769 1383642545 /nfs/dbraw/zinc/64/25/45/1383642545.db2.gz AOZYPGCWOIRKOK-QGZVFWFLSA-N 2 1 343.531 3.123 20 0 EGADMP CCC[C@@]1(C)CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001167509428 1383654844 /nfs/dbraw/zinc/65/48/44/1383654844.db2.gz NCOYDBIFPVFUMG-FPOVZHCZSA-N 2 1 345.531 3.308 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001167627234 1383692941 /nfs/dbraw/zinc/69/29/41/1383692941.db2.gz MQCOOEMAFYROBX-QGZVFWFLSA-N 2 1 325.541 3.172 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001167640307 1383695713 /nfs/dbraw/zinc/69/57/13/1383695713.db2.gz MGOJPMXYNQXUGF-SFHVURJKSA-N 2 1 345.531 3.274 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCCC2(C[NH2+]CCCC3CCCC3)CC2)C1 ZINC001167737564 1383726198 /nfs/dbraw/zinc/72/61/98/1383726198.db2.gz VMTBVICNYMKVJV-IBGZPJMESA-N 2 1 349.563 3.175 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001167812350 1383746085 /nfs/dbraw/zinc/74/60/85/1383746085.db2.gz MQGABUWDGLEBJU-SFHVURJKSA-N 2 1 345.531 3.356 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CCCC(C)C)CC1 ZINC001167811952 1383746558 /nfs/dbraw/zinc/74/65/58/1383746558.db2.gz DDMFRQMIDUUJCR-UHFFFAOYSA-N 2 1 325.541 3.031 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@]2(CCCCN2C(C)=O)C1 ZINC001167826276 1383750109 /nfs/dbraw/zinc/75/01/09/1383750109.db2.gz OERVITYREVPKJQ-ICSRJNTNSA-N 2 1 337.552 3.364 20 0 EGADMP CCOC(=O)C[C@@H]1CC[N@H+]([C@H](C)CCC[NH+](CC)CC)C[C@@H]1C ZINC001167834813 1383752941 /nfs/dbraw/zinc/75/29/41/1383752941.db2.gz MWFCVRIETCFJDB-KSZLIROESA-N 2 1 326.525 3.408 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](Oc2ncc(C)cn2)C1 ZINC001167836191 1383754201 /nfs/dbraw/zinc/75/42/01/1383754201.db2.gz XCPDBAYKBIBWNM-ROUUACIJSA-N 2 1 334.508 3.139 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](Oc2nccc(C)n2)C1 ZINC001167836423 1383754824 /nfs/dbraw/zinc/75/48/24/1383754824.db2.gz ZWIUWMXPCZSJHF-MSOLQXFVSA-N 2 1 334.508 3.139 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001167836624 1383755063 /nfs/dbraw/zinc/75/50/63/1383755063.db2.gz GDOIESRMEJYSJA-AZUAARDMSA-N 3 1 339.568 3.072 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)N1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001167836624 1383755066 /nfs/dbraw/zinc/75/50/66/1383755066.db2.gz GDOIESRMEJYSJA-AZUAARDMSA-N 2 1 339.568 3.072 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)N1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001167836624 1383755069 /nfs/dbraw/zinc/75/50/69/1383755069.db2.gz GDOIESRMEJYSJA-AZUAARDMSA-N 2 1 339.568 3.072 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001167836626 1383755286 /nfs/dbraw/zinc/75/52/86/1383755286.db2.gz GDOIESRMEJYSJA-QUCCMNQESA-N 3 1 339.568 3.072 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)N1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001167836626 1383755288 /nfs/dbraw/zinc/75/52/88/1383755288.db2.gz GDOIESRMEJYSJA-QUCCMNQESA-N 2 1 339.568 3.072 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)N1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001167836626 1383755290 /nfs/dbraw/zinc/75/52/90/1383755290.db2.gz GDOIESRMEJYSJA-QUCCMNQESA-N 2 1 339.568 3.072 20 0 EGADMP C[N@@H+](CCCC(=O)c1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995844 1383792115 /nfs/dbraw/zinc/79/21/15/1383792115.db2.gz RVJMQHFEPNLXNF-YOFSQIOKSA-N 2 1 341.499 3.382 20 0 EGADMP C[NH+](CCCC(=O)c1cccnc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995844 1383792118 /nfs/dbraw/zinc/79/21/18/1383792118.db2.gz RVJMQHFEPNLXNF-YOFSQIOKSA-N 2 1 341.499 3.382 20 0 EGADMP C[NH+](CCCC(=O)c1cccnc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995844 1383792121 /nfs/dbraw/zinc/79/21/21/1383792121.db2.gz RVJMQHFEPNLXNF-YOFSQIOKSA-N 2 1 341.499 3.382 20 0 EGADMP C[N@@H+](C[C@@H]1Cc2ccccc2O1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168005493 1383794824 /nfs/dbraw/zinc/79/48/24/1383794824.db2.gz JAVVLOXMKJAGFX-XNMUZJSGSA-N 2 1 326.484 3.327 20 0 EGADMP C[NH+](C[C@@H]1Cc2ccccc2O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168005493 1383794827 /nfs/dbraw/zinc/79/48/27/1383794827.db2.gz JAVVLOXMKJAGFX-XNMUZJSGSA-N 2 1 326.484 3.327 20 0 EGADMP C[NH+](C[C@@H]1Cc2ccccc2O1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168005493 1383794832 /nfs/dbraw/zinc/79/48/32/1383794832.db2.gz JAVVLOXMKJAGFX-XNMUZJSGSA-N 2 1 326.484 3.327 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168030073 1383800348 /nfs/dbraw/zinc/80/03/48/1383800348.db2.gz MOUIJPCYJNNEPU-PMACEKPBSA-N 2 1 349.563 3.460 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[NH+]3CCC[C@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168053574 1383805577 /nfs/dbraw/zinc/80/55/77/1383805577.db2.gz PEPRNIKMEKYHNU-YHELAOLJSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[N@@H+]3CCC[C@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053574 1383805582 /nfs/dbraw/zinc/80/55/82/1383805582.db2.gz PEPRNIKMEKYHNU-YHELAOLJSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[N@H+]3CCC[C@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053574 1383805588 /nfs/dbraw/zinc/80/55/88/1383805588.db2.gz PEPRNIKMEKYHNU-YHELAOLJSA-N 2 1 327.516 3.208 20 0 EGADMP COC(=O)[C@H]1CCC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168059465 1383806769 /nfs/dbraw/zinc/80/67/69/1383806769.db2.gz FQKPOYAOKJNQEM-LMMKCTJWSA-N 2 1 344.499 3.313 20 0 EGADMP FC(F)(F)OCCNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001168167654 1383832700 /nfs/dbraw/zinc/83/27/00/1383832700.db2.gz ZHHZCBFKSODJBE-ZDUSSCGKSA-N 2 1 342.365 3.299 20 0 EGADMP C[NH+](C)C1CCC(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001168319307 1383871300 /nfs/dbraw/zinc/87/13/00/1383871300.db2.gz RPODSOUQJIGFRH-XBCQCDMNSA-N 2 1 341.543 3.456 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CNC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168352743 1383880210 /nfs/dbraw/zinc/88/02/10/1383880210.db2.gz BPQIOTZCGXFJPT-OAQYLSRUSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](C[NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168352743 1383880217 /nfs/dbraw/zinc/88/02/17/1383880217.db2.gz BPQIOTZCGXFJPT-OAQYLSRUSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168352743 1383880220 /nfs/dbraw/zinc/88/02/20/1383880220.db2.gz BPQIOTZCGXFJPT-OAQYLSRUSA-N 3 1 341.543 3.363 20 0 EGADMP Cc1ccc(C2(O)CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168370654 1383886831 /nfs/dbraw/zinc/88/68/31/1383886831.db2.gz DCYVOOGUVDBVBH-UHFFFAOYSA-N 2 1 328.500 3.153 20 0 EGADMP COc1ccc([C@H]2C[C@@H](n3c[nH+]cc3C3CC[NH2+]CC3)CCO2)cc1 ZINC001168665423 1383964074 /nfs/dbraw/zinc/96/40/74/1383964074.db2.gz QMHICKUZMDNRGT-FXAWDEMLSA-N 2 1 341.455 3.452 20 0 EGADMP C[C@H]1CC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@@H]1CO ZINC001307951547 1384062006 /nfs/dbraw/zinc/06/20/06/1384062006.db2.gz KMEQGTRAXTZEPE-SIKLNZKXSA-N 2 1 344.543 3.282 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C(F)(F)F ZINC001169099164 1384106813 /nfs/dbraw/zinc/10/68/13/1384106813.db2.gz OJMDTTFKKRAXFV-ZSOGYDGISA-N 2 1 328.378 3.429 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C(F)(F)F ZINC001169099164 1384106816 /nfs/dbraw/zinc/10/68/16/1384106816.db2.gz OJMDTTFKKRAXFV-ZSOGYDGISA-N 2 1 328.378 3.429 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(Cc3ccc(F)cc3)CCOCC1)C2 ZINC001169109383 1384108250 /nfs/dbraw/zinc/10/82/50/1384108250.db2.gz BOHKHKDELHKRPP-LDLYASANSA-N 2 1 332.463 3.132 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCN(Cc3cccc(Cl)c3)C1)C2 ZINC001169114827 1384108669 /nfs/dbraw/zinc/10/86/69/1384108669.db2.gz ZBHJBRZWDLWSLJ-OKYOBFRVSA-N 2 1 333.907 3.129 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc3nnc(-c4ccccc4)n3c1)C2 ZINC001169116186 1384108952 /nfs/dbraw/zinc/10/89/52/1384108952.db2.gz OQGRTHNFIDIINN-REPLKXPHSA-N 2 1 347.466 3.111 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc3nnc(-c4ccccc4)n3c1)C2 ZINC001169116186 1384108954 /nfs/dbraw/zinc/10/89/54/1384108954.db2.gz OQGRTHNFIDIINN-REPLKXPHSA-N 2 1 347.466 3.111 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169139350 1384112407 /nfs/dbraw/zinc/11/24/07/1384112407.db2.gz BGVMFSBODMRJQC-WKCHPHFGSA-N 2 1 327.516 3.208 20 0 EGADMP C[NH+](Cc1ccccc1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169139350 1384112410 /nfs/dbraw/zinc/11/24/10/1384112410.db2.gz BGVMFSBODMRJQC-WKCHPHFGSA-N 2 1 327.516 3.208 20 0 EGADMP C[NH+](Cc1ccccc1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169139350 1384112412 /nfs/dbraw/zinc/11/24/12/1384112412.db2.gz BGVMFSBODMRJQC-WKCHPHFGSA-N 2 1 327.516 3.208 20 0 EGADMP COc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)c1 ZINC001169139303 1384112564 /nfs/dbraw/zinc/11/25/64/1384112564.db2.gz AZYSUIODSJNHIX-AXVVYFOYSA-N 2 1 330.472 3.164 20 0 EGADMP COc1cccc(O[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001169139303 1384112565 /nfs/dbraw/zinc/11/25/65/1384112565.db2.gz AZYSUIODSJNHIX-AXVVYFOYSA-N 2 1 330.472 3.164 20 0 EGADMP COc1cccc(O[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001169139303 1384112567 /nfs/dbraw/zinc/11/25/67/1384112567.db2.gz AZYSUIODSJNHIX-AXVVYFOYSA-N 2 1 330.472 3.164 20 0 EGADMP COc1ccccc1S[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169156706 1384116805 /nfs/dbraw/zinc/11/68/05/1384116805.db2.gz ZLQKBOGZZOGBHB-YYIAUSFCSA-N 2 1 332.513 3.487 20 0 EGADMP COc1ccccc1S[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169156706 1384116806 /nfs/dbraw/zinc/11/68/06/1384116806.db2.gz ZLQKBOGZZOGBHB-YYIAUSFCSA-N 2 1 332.513 3.487 20 0 EGADMP COc1ccccc1S[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169156706 1384116807 /nfs/dbraw/zinc/11/68/07/1384116807.db2.gz ZLQKBOGZZOGBHB-YYIAUSFCSA-N 2 1 332.513 3.487 20 0 EGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169160017 1384117139 /nfs/dbraw/zinc/11/71/39/1384117139.db2.gz AEXGEMIEMAQCGE-XCLNPWKQSA-N 2 1 331.479 3.130 20 0 EGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169160017 1384117141 /nfs/dbraw/zinc/11/71/41/1384117141.db2.gz AEXGEMIEMAQCGE-XCLNPWKQSA-N 2 1 331.479 3.130 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCC1(C[NH+](C)C)CCCC1 ZINC001308365122 1384122046 /nfs/dbraw/zinc/12/20/46/1384122046.db2.gz CAWBSVUCRNRBNO-ICSRJNTNSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC001308365122 1384122048 /nfs/dbraw/zinc/12/20/48/1384122048.db2.gz CAWBSVUCRNRBNO-ICSRJNTNSA-N 2 1 329.532 3.219 20 0 EGADMP Cc1[nH+]c2ccc(NCc3ncn4c3C[NH2+]CCC4)cc2n1C(C)C ZINC001169242338 1384126319 /nfs/dbraw/zinc/12/63/19/1384126319.db2.gz IEHLQCNLOYDDDN-UHFFFAOYSA-N 2 1 338.459 3.228 20 0 EGADMP CC[C@@H]1[N@@H+](C2CC[NH+](CC)CC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001169253860 1384127927 /nfs/dbraw/zinc/12/79/27/1384127927.db2.gz LWYJTIAEGNVJSR-FPOVZHCZSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@@H]1[N@H+](C2CC[NH+](CC)CC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001169253860 1384127928 /nfs/dbraw/zinc/12/79/28/1384127928.db2.gz LWYJTIAEGNVJSR-FPOVZHCZSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCC(N2CC[C@@]3(CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001169261200 1384129083 /nfs/dbraw/zinc/12/90/83/1384129083.db2.gz CTOUQOLWBJIOQA-NRFANRHFSA-N 2 1 327.516 3.211 20 0 EGADMP O=c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c[nH]1 ZINC001308560161 1384133774 /nfs/dbraw/zinc/13/37/74/1384133774.db2.gz FRUNCAJEHKZTBU-OAQYLSRUSA-N 2 1 337.467 3.275 20 0 EGADMP O=c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c[nH]1 ZINC001308560161 1384133776 /nfs/dbraw/zinc/13/37/76/1384133776.db2.gz FRUNCAJEHKZTBU-OAQYLSRUSA-N 2 1 337.467 3.275 20 0 EGADMP O=c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c[nH]1 ZINC001308560161 1384133778 /nfs/dbraw/zinc/13/37/78/1384133778.db2.gz FRUNCAJEHKZTBU-OAQYLSRUSA-N 2 1 337.467 3.275 20 0 EGADMP O=c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c[nH]1 ZINC001308560161 1384133780 /nfs/dbraw/zinc/13/37/80/1384133780.db2.gz FRUNCAJEHKZTBU-OAQYLSRUSA-N 2 1 337.467 3.275 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001169478328 1384151769 /nfs/dbraw/zinc/15/17/69/1384151769.db2.gz PUJHCWTYBFINMN-GOSISDBHSA-N 2 1 345.531 3.230 20 0 EGADMP COc1cc2[nH+]c(NC(C)(C)CC[NH+](C)C)ccc2c(OC)c1OC ZINC001169718300 1384177741 /nfs/dbraw/zinc/17/77/41/1384177741.db2.gz RZDUIHMVJBOFDT-UHFFFAOYSA-N 2 1 347.459 3.403 20 0 EGADMP c1ccc(-c2ccc(CNc3[nH+]cccc3N3CC[NH2+]CC3)cc2)nc1 ZINC001169889524 1384194877 /nfs/dbraw/zinc/19/48/77/1384194877.db2.gz QJPTWQGTTYVUIM-UHFFFAOYSA-N 2 1 345.450 3.165 20 0 EGADMP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@@H]2C[C@@H]4[C@H](C2)C4(C)C)CC3)cn1 ZINC001170752854 1384379665 /nfs/dbraw/zinc/37/96/65/1384379665.db2.gz KWSVMFGZGVHZDF-LDLYASANSA-N 2 1 342.531 3.285 20 0 EGADMP CCCCCC[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001170867534 1384401371 /nfs/dbraw/zinc/40/13/71/1384401371.db2.gz JUNXDXWHHSWYGW-LJQANCHMSA-N 2 1 333.520 3.356 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C)CC[N@H+]1C ZINC001170870536 1384402061 /nfs/dbraw/zinc/40/20/61/1384402061.db2.gz ISXNSNWXGXSTOK-OKZBNKHCSA-N 2 1 325.541 3.027 20 0 EGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001170878534 1384403566 /nfs/dbraw/zinc/40/35/66/1384403566.db2.gz ONKGPOJYLQSUHI-IRXDYDNUSA-N 2 1 336.524 3.461 20 0 EGADMP C[N@@H+](C1CCOCC1)C1CCN([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001171003764 1384427870 /nfs/dbraw/zinc/42/78/70/1384427870.db2.gz XRVRHHPKHYQEEE-IBGZPJMESA-N 2 1 346.490 3.258 20 0 EGADMP C[N@H+](C1CCOCC1)C1CC[NH+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001171003764 1384427873 /nfs/dbraw/zinc/42/78/73/1384427873.db2.gz XRVRHHPKHYQEEE-IBGZPJMESA-N 2 1 346.490 3.258 20 0 EGADMP C[N@@H+](C1CCOCC1)C1CC[NH+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001171003764 1384427876 /nfs/dbraw/zinc/42/78/76/1384427876.db2.gz XRVRHHPKHYQEEE-IBGZPJMESA-N 2 1 346.490 3.258 20 0 EGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001171118067 1384449392 /nfs/dbraw/zinc/44/93/92/1384449392.db2.gz CFOCQEHSKCVMNO-ROUUACIJSA-N 2 1 325.541 3.316 20 0 EGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001171236516 1384476638 /nfs/dbraw/zinc/47/66/38/1384476638.db2.gz NGICEQQOODSRPA-RBUKOAKNSA-N 2 1 339.568 3.419 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171247740 1384477752 /nfs/dbraw/zinc/47/77/52/1384477752.db2.gz NUYAEOJERRGCII-FXAWDEMLSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171248649 1384478111 /nfs/dbraw/zinc/47/81/11/1384478111.db2.gz WWXSDLZWZVLUPF-QFBILLFUSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171248653 1384478316 /nfs/dbraw/zinc/47/83/16/1384478316.db2.gz WXHWEYUVQSVNNC-SJLPKXTDSA-N 2 1 346.519 3.215 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001171248358 1384478369 /nfs/dbraw/zinc/47/83/69/1384478369.db2.gz TULRUSGHGXPWSR-PKOBYXMFSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl ZINC001171248361 1384478482 /nfs/dbraw/zinc/47/84/82/1384478482.db2.gz TUXBQAWLDMEOSW-JSMQFAGNSA-N 2 1 343.943 3.266 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171254459 1384479944 /nfs/dbraw/zinc/47/99/44/1384479944.db2.gz RMBZJJJVKJQUGG-MSOLQXFVSA-N 2 1 339.568 3.418 20 0 EGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171330310 1384496157 /nfs/dbraw/zinc/49/61/57/1384496157.db2.gz SNELGAPURSMYPZ-ROUUACIJSA-N 2 1 325.541 3.316 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171545689 1384558760 /nfs/dbraw/zinc/55/87/60/1384558760.db2.gz FWCPBUKWPIVKDT-HKUYNNGSSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171547490 1384559569 /nfs/dbraw/zinc/55/95/69/1384559569.db2.gz SKNZSLWYZYILTC-PKOBYXMFSA-N 2 1 349.563 3.316 20 0 EGADMP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171586263 1384572589 /nfs/dbraw/zinc/57/25/89/1384572589.db2.gz KMROLQQZQMHZTN-OAGJVSPASA-N 2 1 325.541 3.338 20 0 EGADMP COC(=O)C[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccc(O)cc1 ZINC001171625501 1384584777 /nfs/dbraw/zinc/58/47/77/1384584777.db2.gz KCCLQQQIOMLZBV-KRWDZBQOSA-N 2 1 348.487 3.237 20 0 EGADMP Cc1cnccc1O[C@@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641908 1384589402 /nfs/dbraw/zinc/58/94/02/1384589402.db2.gz VSPAPZFTUMCXHT-QGZVFWFLSA-N 2 1 331.504 3.495 20 0 EGADMP COc1cccnc1O[C@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171640566 1384589644 /nfs/dbraw/zinc/58/96/44/1384589644.db2.gz FJNXZMTZFVAPCI-INIZCTEOSA-N 2 1 347.503 3.195 20 0 EGADMP Cc1ccc(CC[C@H](C)N2CC[NH+](CC3CC[NH+](C)CC3)CC2)cc1 ZINC001171682213 1384601084 /nfs/dbraw/zinc/60/10/84/1384601084.db2.gz SMBCWTDPSHBRTR-FQEVSTJZSA-N 2 1 343.559 3.276 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001171732086 1384618421 /nfs/dbraw/zinc/61/84/21/1384618421.db2.gz UNTQUGLMXCDCDW-SFHVURJKSA-N 2 1 333.520 3.192 20 0 EGADMP C[C@H]1C[C@H](n2cc(CC[NH3+])c3ncccc32)C[N@H+]1Cc1ccccc1 ZINC001171732877 1384618638 /nfs/dbraw/zinc/61/86/38/1384618638.db2.gz MCRXPFPOFQVGRH-LPHOPBHVSA-N 2 1 334.467 3.373 20 0 EGADMP C[C@H]1C[C@H](n2nc(CC[NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171733502 1384619243 /nfs/dbraw/zinc/61/92/43/1384619243.db2.gz UFGMENNNUUDPOI-WMZOPIPTSA-N 2 1 334.467 3.373 20 0 EGADMP Fc1cccc2c1C[C@H]([NH+]1C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C1)C2 ZINC001171797416 1384641071 /nfs/dbraw/zinc/64/10/71/1384641071.db2.gz WBGZRCBQNZBHCK-YESZJQIVSA-N 2 1 342.483 3.418 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171816371 1384648943 /nfs/dbraw/zinc/64/89/43/1384648943.db2.gz HHPLREPIFKNAMT-DKRLNXSXSA-N 2 1 334.508 3.203 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCCC[NH2+]CC1CCC(C)CC1 ZINC001171821654 1384650625 /nfs/dbraw/zinc/65/06/25/1384650625.db2.gz PJHVCQQSODAEGS-TVRKMHQQSA-N 2 1 348.535 3.282 20 0 EGADMP CC1(C)C[C@H]([NH2+][C@H]2CN3CCC2CC3)CC[N@H+]1Cc1ccccc1 ZINC001171969182 1384698661 /nfs/dbraw/zinc/69/86/61/1384698661.db2.gz UGHZLNZSAMUTIG-UXHICEINSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@H]([NH2+][C@H]2CN3CCC2CC3)CCN1Cc1ccccc1 ZINC001171969182 1384698662 /nfs/dbraw/zinc/69/86/62/1384698662.db2.gz UGHZLNZSAMUTIG-UXHICEINSA-N 2 1 327.516 3.113 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977694 1384702094 /nfs/dbraw/zinc/70/20/94/1384702094.db2.gz UBWCGEMFHSZJPH-MOPGFXCFSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977694 1384702095 /nfs/dbraw/zinc/70/20/95/1384702095.db2.gz UBWCGEMFHSZJPH-MOPGFXCFSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977694 1384702097 /nfs/dbraw/zinc/70/20/97/1384702097.db2.gz UBWCGEMFHSZJPH-MOPGFXCFSA-N 2 1 344.499 3.315 20 0 EGADMP C[NH+](C)[C@H]1CCCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171985528 1384704659 /nfs/dbraw/zinc/70/46/59/1384704659.db2.gz XRMDDHDBWIUWIS-UXHICEINSA-N 2 1 329.532 3.456 20 0 EGADMP COC(=O)[C@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067777 1384715695 /nfs/dbraw/zinc/71/56/95/1384715695.db2.gz FPETYVIDVDTSDC-HAGHYFMRSA-N 2 1 342.483 3.067 20 0 EGADMP COC(=O)[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172067777 1384715700 /nfs/dbraw/zinc/71/57/00/1384715700.db2.gz FPETYVIDVDTSDC-HAGHYFMRSA-N 2 1 342.483 3.067 20 0 EGADMP COC(=O)[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067777 1384715705 /nfs/dbraw/zinc/71/57/05/1384715705.db2.gz FPETYVIDVDTSDC-HAGHYFMRSA-N 2 1 342.483 3.067 20 0 EGADMP COC(=O)CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067844 1384716123 /nfs/dbraw/zinc/71/61/23/1384716123.db2.gz OETNDNGTLVOIGD-REPLKXPHSA-N 2 1 330.472 3.115 20 0 EGADMP O[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172067081 1384716737 /nfs/dbraw/zinc/71/67/37/1384716737.db2.gz AJQNJKCTGHXPFB-BQJUDKOJSA-N 2 1 328.500 3.419 20 0 EGADMP O[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172067081 1384716738 /nfs/dbraw/zinc/71/67/38/1384716738.db2.gz AJQNJKCTGHXPFB-BQJUDKOJSA-N 2 1 328.500 3.419 20 0 EGADMP O[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172067081 1384716739 /nfs/dbraw/zinc/71/67/39/1384716739.db2.gz AJQNJKCTGHXPFB-BQJUDKOJSA-N 2 1 328.500 3.419 20 0 EGADMP O[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172067081 1384716740 /nfs/dbraw/zinc/71/67/40/1384716740.db2.gz AJQNJKCTGHXPFB-BQJUDKOJSA-N 2 1 328.500 3.419 20 0 EGADMP OCC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172068973 1384718389 /nfs/dbraw/zinc/71/83/89/1384718389.db2.gz MNLQFEFLXPQQGE-WKCHPHFGSA-N 2 1 328.500 3.276 20 0 EGADMP OCC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172068973 1384718393 /nfs/dbraw/zinc/71/83/93/1384718393.db2.gz MNLQFEFLXPQQGE-WKCHPHFGSA-N 2 1 328.500 3.276 20 0 EGADMP O[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172072355 1384718456 /nfs/dbraw/zinc/71/84/56/1384718456.db2.gz LGTDCWHWTRHQBX-JRSUCEMESA-N 2 1 328.500 3.465 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001316955722 1384727071 /nfs/dbraw/zinc/72/70/71/1384727071.db2.gz VORMXQGSNCGTRG-FQEVSTJZSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2)C1 ZINC001316955722 1384727077 /nfs/dbraw/zinc/72/70/77/1384727077.db2.gz VORMXQGSNCGTRG-FQEVSTJZSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2)C1 ZINC001316955722 1384727081 /nfs/dbraw/zinc/72/70/81/1384727081.db2.gz VORMXQGSNCGTRG-FQEVSTJZSA-N 2 1 345.531 3.232 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C3CCCC3)CC1)C2 ZINC001172110937 1384729081 /nfs/dbraw/zinc/72/90/81/1384729081.db2.gz MBSOGPYTPFFJMV-DHUDUYKCSA-N 2 1 347.547 3.209 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C3CCCC3)CC1)C2 ZINC001172110937 1384729082 /nfs/dbraw/zinc/72/90/82/1384729082.db2.gz MBSOGPYTPFFJMV-DHUDUYKCSA-N 2 1 347.547 3.209 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](CC3CCCC3)CC1)C2 ZINC001172113046 1384731365 /nfs/dbraw/zinc/73/13/65/1384731365.db2.gz FNULHGLTJDNBNN-WKCHPHFGSA-N 3 1 333.564 3.494 20 0 EGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](CC3CCCC3)CC1)C2 ZINC001172113046 1384731367 /nfs/dbraw/zinc/73/13/67/1384731367.db2.gz FNULHGLTJDNBNN-WKCHPHFGSA-N 2 1 333.564 3.494 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(Cc3cccnc3)CCOCC1)C2 ZINC001172113476 1384731526 /nfs/dbraw/zinc/73/15/26/1384731526.db2.gz HOAPFVDDVGVNSI-ACDBMABISA-N 2 1 343.515 3.026 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172121288 1384734935 /nfs/dbraw/zinc/73/49/35/1384734935.db2.gz DGUOBMKSXSMFFM-WJMWBRGCSA-N 2 1 327.516 3.381 20 0 EGADMP CCC[NH2+][C@H]1CCc2c(sc(=N)n2[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172123603 1384735171 /nfs/dbraw/zinc/73/51/71/1384735171.db2.gz HCQSGJIHMPTVPL-JONQDZQNSA-N 2 1 348.560 3.074 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1)C2 ZINC001172128535 1384735705 /nfs/dbraw/zinc/73/57/05/1384735705.db2.gz SCAPHLWWAJQGRC-QKPAOTATSA-N 2 1 334.426 3.027 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1)C2 ZINC001172128535 1384735709 /nfs/dbraw/zinc/73/57/09/1384735709.db2.gz SCAPHLWWAJQGRC-QKPAOTATSA-N 2 1 334.426 3.027 20 0 EGADMP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172130421 1384737480 /nfs/dbraw/zinc/73/74/80/1384737480.db2.gz PBFIOCKENPIRHD-ZRNYENFQSA-N 2 1 348.531 3.447 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C4C[C@H]5CC[C@@H](C4)O5)C3)C2)cc1 ZINC001172230628 1384752860 /nfs/dbraw/zinc/75/28/60/1384752860.db2.gz FJXFXCUDNFWYDQ-OTYNDTSQSA-N 2 1 326.484 3.294 20 0 EGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C4C[C@H]5CC[C@@H](C4)O5)C3)C2)cc1 ZINC001172230628 1384752865 /nfs/dbraw/zinc/75/28/65/1384752865.db2.gz FJXFXCUDNFWYDQ-OTYNDTSQSA-N 2 1 326.484 3.294 20 0 EGADMP CC[C@H](C)OCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001172313784 1384768337 /nfs/dbraw/zinc/76/83/37/1384768337.db2.gz AGDSBACKZWSSRD-ROUUACIJSA-N 2 1 334.504 3.202 20 0 EGADMP CC[C@@H](CC(C)C)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001172399387 1384784172 /nfs/dbraw/zinc/78/41/72/1384784172.db2.gz GQZPAMULPPDYFF-SFHVURJKSA-N 2 1 348.535 3.114 20 0 EGADMP CC[C@@H](CC(C)C)[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001172399387 1384784174 /nfs/dbraw/zinc/78/41/74/1384784174.db2.gz GQZPAMULPPDYFF-SFHVURJKSA-N 2 1 348.535 3.114 20 0 EGADMP CC[C@@H](CC(C)C)[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001172399387 1384784180 /nfs/dbraw/zinc/78/41/80/1384784180.db2.gz GQZPAMULPPDYFF-SFHVURJKSA-N 2 1 348.535 3.114 20 0 EGADMP CC(C)OCC[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001172453717 1384795271 /nfs/dbraw/zinc/79/52/71/1384795271.db2.gz YLHVUUSLQYGOKY-GOSISDBHSA-N 2 1 348.535 3.054 20 0 EGADMP CC(C)OCC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001172453717 1384795273 /nfs/dbraw/zinc/79/52/73/1384795273.db2.gz YLHVUUSLQYGOKY-GOSISDBHSA-N 2 1 348.535 3.054 20 0 EGADMP COC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001172599360 1384816556 /nfs/dbraw/zinc/81/65/56/1384816556.db2.gz BRMANGMNAGFRDB-AZUAARDMSA-N 2 1 344.499 3.015 20 0 EGADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001172621763 1384820905 /nfs/dbraw/zinc/82/09/05/1384820905.db2.gz GKEIUDNTTUAJIG-ZWKOTPCHSA-N 2 1 334.504 3.059 20 0 EGADMP Cc1cc(N(C2CC[NH2+]CC2)C2CC(C)(C)OC(C)(C)C2)nc(C)[nH+]1 ZINC001172661632 1384829094 /nfs/dbraw/zinc/82/90/94/1384829094.db2.gz WETDTJZLILAXMC-UHFFFAOYSA-N 2 1 346.519 3.388 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001172770346 1384848042 /nfs/dbraw/zinc/84/80/42/1384848042.db2.gz LAZWKBMTSXMNHJ-MOPGFXCFSA-N 2 1 344.499 3.363 20 0 EGADMP C[N@H+]1CCCN(CC[NH2+]C2CCC(Cc3ccccc3)CC2)CC1 ZINC001172820593 1384858925 /nfs/dbraw/zinc/85/89/25/1384858925.db2.gz YFTFEJBEKIHTKM-UHFFFAOYSA-N 2 1 329.532 3.015 20 0 EGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001173085420 1384911202 /nfs/dbraw/zinc/91/12/02/1384911202.db2.gz DFCQOPRHWFUIEW-CYBMUJFWSA-N 2 1 339.361 3.271 20 0 EGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001173085420 1384911221 /nfs/dbraw/zinc/91/12/21/1384911221.db2.gz DFCQOPRHWFUIEW-CYBMUJFWSA-N 2 1 339.361 3.271 20 0 EGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001173089540 1384911681 /nfs/dbraw/zinc/91/16/81/1384911681.db2.gz YGRILLYMZJEREI-YSVLISHTSA-N 2 1 342.405 3.400 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCN3C(=O)c4ccccc4[C@@H]3C2)CC1 ZINC001173110780 1384917173 /nfs/dbraw/zinc/91/71/73/1384917173.db2.gz XPGUAMUGAAWORF-UHYCVJNDSA-N 2 1 341.499 3.152 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](Oc3nccnc3C)C2)CC1 ZINC001173114067 1384917459 /nfs/dbraw/zinc/91/74/59/1384917459.db2.gz UTVJHUCGXYUDMP-ACBHZAAOSA-N 2 1 346.519 3.281 20 0 EGADMP CC[N@H+]1CC[C@@H](N2CCC3(CC[C@H]3[NH+](C)Cc3ccco3)CC2)C1 ZINC001173364966 1384964676 /nfs/dbraw/zinc/96/46/76/1384964676.db2.gz WBAZZDXVFNHDKL-IEBWSBKVSA-N 2 1 331.504 3.050 20 0 EGADMP CC[NH+]1CC[C@@H](N2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)C1 ZINC001173364966 1384964680 /nfs/dbraw/zinc/96/46/80/1384964680.db2.gz WBAZZDXVFNHDKL-IEBWSBKVSA-N 2 1 331.504 3.050 20 0 EGADMP CC[NH+]1CC[C@@H](N2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)C1 ZINC001173364966 1384964682 /nfs/dbraw/zinc/96/46/82/1384964682.db2.gz WBAZZDXVFNHDKL-IEBWSBKVSA-N 2 1 331.504 3.050 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@@H]([NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)C1 ZINC001173637986 1384993810 /nfs/dbraw/zinc/99/38/10/1384993810.db2.gz DQLMLQZBTDZHMI-DLBZAZTESA-N 2 1 345.487 3.051 20 0 EGADMP COC(=O)c1ccc(C[C@@H](C)[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC001173734889 1385011617 /nfs/dbraw/zinc/01/16/17/1385011617.db2.gz LNTDKVBBMGJKCN-QGZVFWFLSA-N 2 1 344.499 3.355 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174905242 1385168270 /nfs/dbraw/zinc/16/82/70/1385168270.db2.gz JDOPIGIEHFWZEO-BZSNNMDCSA-N 2 1 325.541 3.027 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CCC1CC1 ZINC001317484656 1385181829 /nfs/dbraw/zinc/18/18/29/1385181829.db2.gz RQPLLZMYFHFMHF-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)CCC1CC1 ZINC001317484656 1385181831 /nfs/dbraw/zinc/18/18/31/1385181831.db2.gz RQPLLZMYFHFMHF-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)CCC1CC1 ZINC001317484656 1385181834 /nfs/dbraw/zinc/18/18/34/1385181834.db2.gz RQPLLZMYFHFMHF-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175297811 1385242492 /nfs/dbraw/zinc/24/24/92/1385242492.db2.gz XEUOOWXPSMBLBP-KRWDZBQOSA-N 2 1 327.557 3.419 20 0 EGADMP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CCNC(=O)OC(C)(C)C)CC1 ZINC001175352793 1385263563 /nfs/dbraw/zinc/26/35/63/1385263563.db2.gz RUOVXYJIGSXGQA-QGZVFWFLSA-N 2 1 339.524 3.098 20 0 EGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCNC(=O)OC(C)(C)C)CC1 ZINC001175352793 1385263566 /nfs/dbraw/zinc/26/35/66/1385263566.db2.gz RUOVXYJIGSXGQA-QGZVFWFLSA-N 2 1 339.524 3.098 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl ZINC001175529446 1385322606 /nfs/dbraw/zinc/32/26/06/1385322606.db2.gz WMRPQNHQMSNNBD-DDJMYBDESA-N 2 1 340.899 3.024 20 0 EGADMP CCCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001317555892 1385324016 /nfs/dbraw/zinc/32/40/16/1385324016.db2.gz YLYJTTXAOTWZHN-LJQANCHMSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001317555892 1385324021 /nfs/dbraw/zinc/32/40/21/1385324021.db2.gz YLYJTTXAOTWZHN-LJQANCHMSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001317555892 1385324024 /nfs/dbraw/zinc/32/40/24/1385324024.db2.gz YLYJTTXAOTWZHN-LJQANCHMSA-N 2 1 335.536 3.164 20 0 EGADMP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176023411 1385463676 /nfs/dbraw/zinc/46/36/76/1385463676.db2.gz HNIJGMTYVQTVHB-GIFJBRJJSA-N 2 1 325.541 3.339 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1CC ZINC001176279971 1385537169 /nfs/dbraw/zinc/53/71/69/1385537169.db2.gz URMAUTWQLHAMCK-SFHVURJKSA-N 2 1 347.547 3.355 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+][C@H]1CCc2ccccc21 ZINC001176286037 1385539692 /nfs/dbraw/zinc/53/96/92/1385539692.db2.gz SMFSYWIPPSZVSI-PXNSSMCTSA-N 2 1 345.531 3.280 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001317856907 1385542148 /nfs/dbraw/zinc/54/21/48/1385542148.db2.gz KPXXQRNXOHUKRS-QUCCMNQESA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001317856907 1385542153 /nfs/dbraw/zinc/54/21/53/1385542153.db2.gz KPXXQRNXOHUKRS-QUCCMNQESA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001317856907 1385542158 /nfs/dbraw/zinc/54/21/58/1385542158.db2.gz KPXXQRNXOHUKRS-QUCCMNQESA-N 2 1 345.531 3.260 20 0 EGADMP CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317862108 1385547367 /nfs/dbraw/zinc/54/73/67/1385547367.db2.gz GRTJWICYRXARRG-UXHICEINSA-N 2 1 345.531 3.086 20 0 EGADMP Cc1cc(C)cc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001176564341 1385626166 /nfs/dbraw/zinc/62/61/66/1385626166.db2.gz OJMBRUVQECVOTO-UYAOXDASSA-N 2 1 345.531 3.020 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563963 1385626454 /nfs/dbraw/zinc/62/64/54/1385626454.db2.gz IWJWQTIAGLUPIZ-MOPGFXCFSA-N 2 1 345.531 3.020 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001176564857 1385626646 /nfs/dbraw/zinc/62/66/46/1385626646.db2.gz SAGWSCMUKYGUAP-RBUKOAKNSA-N 2 1 345.531 3.020 20 0 EGADMP C[C@H]1CCOCC[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001176793431 1385702378 /nfs/dbraw/zinc/70/23/78/1385702378.db2.gz RZPFXLWPTYNECZ-IBGZPJMESA-N 2 1 330.516 3.442 20 0 EGADMP C[C@H]1CCOCC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001176793431 1385702382 /nfs/dbraw/zinc/70/23/82/1385702382.db2.gz RZPFXLWPTYNECZ-IBGZPJMESA-N 2 1 330.516 3.442 20 0 EGADMP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001318483642 1385714894 /nfs/dbraw/zinc/71/48/94/1385714894.db2.gz GHJLCPWKNFHZML-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CC[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001318483642 1385714896 /nfs/dbraw/zinc/71/48/96/1385714896.db2.gz GHJLCPWKNFHZML-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CC[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001318483642 1385714899 /nfs/dbraw/zinc/71/48/99/1385714899.db2.gz GHJLCPWKNFHZML-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001177415793 1385948858 /nfs/dbraw/zinc/94/88/58/1385948858.db2.gz LQSWGFDIUFXERI-GOSISDBHSA-N 2 1 337.552 3.127 20 0 EGADMP CC/C=C/CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001177477842 1385971982 /nfs/dbraw/zinc/97/19/82/1385971982.db2.gz NGVUXMXRENKSQS-DPZZJQGRSA-N 2 1 349.563 3.293 20 0 EGADMP Cc1cccc(C)c1C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001319186955 1385998162 /nfs/dbraw/zinc/99/81/62/1385998162.db2.gz ZUCDMWWURRCINV-OXJNMPFZSA-N 2 1 345.531 3.018 20 0 EGADMP Cc1cccc(C)c1C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001319186953 1385998388 /nfs/dbraw/zinc/99/83/88/1385998388.db2.gz ZUCDMWWURRCINV-JXFKEZNVSA-N 2 1 345.531 3.018 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)C[NH2+]CC2CCCCC2)C1 ZINC001319228602 1386015218 /nfs/dbraw/zinc/01/52/18/1386015218.db2.gz IZSHTEOTCVNZKD-MJGOQNOKSA-N 2 1 337.552 3.031 20 0 EGADMP CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001319278983 1386039659 /nfs/dbraw/zinc/03/96/59/1386039659.db2.gz LHWZBRDKSLFDIO-OAHLLOKOSA-N 2 1 342.487 3.148 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CC(C)C1 ZINC001178472485 1386227852 /nfs/dbraw/zinc/22/78/52/1386227852.db2.gz WFWJHVZLNCGUNF-ACBHZAAOSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]CCC2CC2)C1 ZINC001178688535 1386278123 /nfs/dbraw/zinc/27/81/23/1386278123.db2.gz LNPZXKQYZFIYIE-LJQANCHMSA-N 2 1 337.552 3.031 20 0 EGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001178729354 1386291491 /nfs/dbraw/zinc/29/14/91/1386291491.db2.gz VHBKJEBNACILQT-VZSQWMKGSA-N 2 1 337.552 3.483 20 0 EGADMP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001178736312 1386292409 /nfs/dbraw/zinc/29/24/09/1386292409.db2.gz UQCIYVOBGDQDAE-ISMNZJHXSA-N 2 1 346.519 3.332 20 0 EGADMP CCCCC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001178735738 1386292858 /nfs/dbraw/zinc/29/28/58/1386292858.db2.gz CLSOSZKEZUCTTF-ULQDDVLXSA-N 2 1 334.508 3.166 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001178891752 1386340108 /nfs/dbraw/zinc/34/01/08/1386340108.db2.gz YZZABURQXMNNFH-ULQDDVLXSA-N 2 1 346.519 3.166 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001178915198 1386346764 /nfs/dbraw/zinc/34/67/64/1386346764.db2.gz AWWAEVHGAVTPRS-RBUKOAKNSA-N 2 1 339.568 3.419 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001179388777 1386472367 /nfs/dbraw/zinc/47/23/67/1386472367.db2.gz QVFKZZLIAARWBU-KDHUBKHVSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCCCCC[NH2+]Cc1ccc(F)cc1 ZINC001179580983 1386522171 /nfs/dbraw/zinc/52/21/71/1386522171.db2.gz YWLAYAKMVMDHQC-KRWDZBQOSA-N 2 1 349.494 3.076 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001179580810 1386522206 /nfs/dbraw/zinc/52/22/06/1386522206.db2.gz QWUUPSJCDSCBSX-GOSISDBHSA-N 2 1 337.552 3.317 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCCCCC[NH2+]Cc1cccc(F)c1 ZINC001179580754 1386522571 /nfs/dbraw/zinc/52/25/71/1386522571.db2.gz OYHULMGWNFFZCM-KRWDZBQOSA-N 2 1 349.494 3.076 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCCCCCC[NH2+]CCC(C)(C)C)C1 ZINC001179585089 1386523595 /nfs/dbraw/zinc/52/35/95/1386523595.db2.gz CGQSYTGFRGHCIP-KRWDZBQOSA-N 2 1 325.541 3.031 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCCCCCC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001179586560 1386523949 /nfs/dbraw/zinc/52/39/49/1386523949.db2.gz QHPOFESKZRHFHM-GOSISDBHSA-N 2 1 349.563 3.175 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]C/C=C/Cl ZINC001179746268 1386570105 /nfs/dbraw/zinc/57/01/05/1386570105.db2.gz SJWZLBRIUOQFPG-QXLXQBSBSA-N 2 1 343.943 3.268 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179777043 1386581862 /nfs/dbraw/zinc/58/18/62/1386581862.db2.gz NVUIVVQEXGRUPF-QGZVFWFLSA-N 2 1 348.535 3.435 20 0 EGADMP O=C(NCCCCCC[NH2+]CCC1CC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179788145 1386585640 /nfs/dbraw/zinc/58/56/40/1386585640.db2.gz OERLNLRHYRRRQN-RTBURBONSA-N 2 1 335.536 3.070 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179788151 1386585761 /nfs/dbraw/zinc/58/57/61/1386585761.db2.gz OLRQNURTHDTPOQ-VQTJNVASSA-N 2 1 349.563 3.460 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccccc2)[C@@H]1C ZINC001179978968 1386656639 /nfs/dbraw/zinc/65/66/39/1386656639.db2.gz NWDQNIKUNZSZPB-SXLOBPIMSA-N 2 1 345.531 3.449 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179989244 1386660102 /nfs/dbraw/zinc/66/01/02/1386660102.db2.gz VVHYTLXZIZNGNO-UHFFFAOYSA-N 2 1 325.541 3.175 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CCc1ccc(C)cc1 ZINC001179988767 1386660151 /nfs/dbraw/zinc/66/01/51/1386660151.db2.gz MJBNGDNEKFRIHQ-UHFFFAOYSA-N 2 1 347.547 3.146 20 0 EGADMP CCC(CC)C[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001180060553 1386683885 /nfs/dbraw/zinc/68/38/85/1386683885.db2.gz HGEAJGGDXKCCQU-SFHVURJKSA-N 2 1 325.541 3.031 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001180123241 1386703975 /nfs/dbraw/zinc/70/39/75/1386703975.db2.gz CEMDUJJXLYVQJD-UHFFFAOYSA-N 2 1 325.541 3.175 20 0 EGADMP CCC/C=C/CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)CCC ZINC001180123562 1386704278 /nfs/dbraw/zinc/70/42/78/1386704278.db2.gz HNMQKLFXKUIGSS-BQYQJAHWSA-N 2 1 325.541 3.341 20 0 EGADMP C[C@@H](CCC(F)(F)F)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001180310419 1386760934 /nfs/dbraw/zinc/76/09/34/1386760934.db2.gz GZABXPDMUSZAML-WMLDXEAASA-N 2 1 344.421 3.464 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1ccccc1F)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001320928693 1386761189 /nfs/dbraw/zinc/76/11/89/1386761189.db2.gz MOYIQDIXYBOQIG-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1ccccc1F)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001320928696 1386761289 /nfs/dbraw/zinc/76/12/89/1386761289.db2.gz MOYIQDIXYBOQIG-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001320929540 1386761641 /nfs/dbraw/zinc/76/16/41/1386761641.db2.gz RFMZIZLACGATTA-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001322004729 1387029899 /nfs/dbraw/zinc/02/98/99/1387029899.db2.gz XRNUGZXFTVOSNF-GJZGRUSLSA-N 2 1 346.450 3.001 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)N1CC[NH+]2CCC1CC2)c1ccccc1 ZINC001182234493 1387127722 /nfs/dbraw/zinc/12/77/22/1387127722.db2.gz MVXSPMDAGXQZSB-FQEVSTJZSA-N 2 1 343.515 3.156 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCCCC1)C1CCC1 ZINC001322338959 1387163186 /nfs/dbraw/zinc/16/31/86/1387163186.db2.gz PKQVUAXEGDTLJC-UYAOXDASSA-N 2 1 349.563 3.316 20 0 EGADMP CCCCC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001182775755 1387222745 /nfs/dbraw/zinc/22/27/45/1387222745.db2.gz PCEPPOBYUHGQDB-YLJYHZDGSA-N 2 1 348.535 3.271 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)Cc1cccc2ccccc21 ZINC001329590815 1389170351 /nfs/dbraw/zinc/17/03/51/1389170351.db2.gz YOSLYCDSWSQZID-KRWDZBQOSA-N 2 1 341.499 3.118 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)Cc1cccc2ccccc21 ZINC001329590815 1389170353 /nfs/dbraw/zinc/17/03/53/1389170353.db2.gz YOSLYCDSWSQZID-KRWDZBQOSA-N 2 1 341.499 3.118 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)Cc1cccc2ccccc21 ZINC001329590815 1389170356 /nfs/dbraw/zinc/17/03/56/1389170356.db2.gz YOSLYCDSWSQZID-KRWDZBQOSA-N 2 1 341.499 3.118 20 0 EGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC001329618698 1389187390 /nfs/dbraw/zinc/18/73/90/1389187390.db2.gz BSUPQGKQUBIOSF-NSQQOSNVSA-N 2 1 341.499 3.282 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)[C@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001329622364 1389188041 /nfs/dbraw/zinc/18/80/41/1389188041.db2.gz DAEUZLNCVBCRQI-MOPGFXCFSA-N 2 1 345.531 3.369 20 0 EGADMP CCc1onc(C)c1C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC001337790259 1389443407 /nfs/dbraw/zinc/44/34/07/1389443407.db2.gz DNEHKJXJBSWEPB-UHFFFAOYSA-N 2 1 346.475 3.152 20 0 EGADMP O=C(CC[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)Nc1cccc(Cl)c1 ZINC001338522119 1389699725 /nfs/dbraw/zinc/69/97/25/1389699725.db2.gz TYMAJBXWAAYKMH-INIZCTEOSA-N 2 1 349.906 3.380 20 0 EGADMP C[C@H]1[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001331916147 1389909389 /nfs/dbraw/zinc/90/93/89/1389909389.db2.gz DCWGCMKWDOCKMG-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@]1(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]C1 ZINC001332093408 1389979571 /nfs/dbraw/zinc/97/95/71/1389979571.db2.gz JUSRMXWJAJGOKO-LAUBAEHRSA-N 2 1 343.515 3.067 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C)c(C)c2)[C@H]1C ZINC001332220138 1390052255 /nfs/dbraw/zinc/05/22/55/1390052255.db2.gz SSTWPABJJPQYBT-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)[C@H]1C ZINC001332220138 1390052260 /nfs/dbraw/zinc/05/22/60/1390052260.db2.gz SSTWPABJJPQYBT-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C)c(C)c2)[C@H]1C ZINC001332220138 1390052266 /nfs/dbraw/zinc/05/22/66/1390052266.db2.gz SSTWPABJJPQYBT-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC001340130998 1390233338 /nfs/dbraw/zinc/23/33/38/1390233338.db2.gz FXVYDFUFYLCAQL-DOADOZAASA-N 2 1 342.483 3.286 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC001340130998 1390233342 /nfs/dbraw/zinc/23/33/42/1390233342.db2.gz FXVYDFUFYLCAQL-DOADOZAASA-N 2 1 342.483 3.286 20 0 EGADMP C[C@@H]1C[C@@H](CCNC(=O)C[C@@H]([NH3+])C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC001340428776 1390287504 /nfs/dbraw/zinc/28/75/04/1390287504.db2.gz KIYROVDEEJCGSV-BHIYHBOVSA-N 2 1 345.531 3.167 20 0 EGADMP FC(F)(F)Oc1cccc(CC[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC001333657899 1390367414 /nfs/dbraw/zinc/36/74/14/1390367414.db2.gz JHOWMVJMGKRZQW-CQSZACIVSA-N 2 1 328.378 3.202 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]([NH3+])C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001341699206 1390518736 /nfs/dbraw/zinc/51/87/36/1390518736.db2.gz DMZPITLCXDOEFX-BHIYHBOVSA-N 2 1 345.531 3.261 20 0 EGADMP CCC[N@@H+](CC1CC[NH+](C)CC1)[C@H](C)CC(=O)Nc1ccccc1 ZINC001343153892 1390695598 /nfs/dbraw/zinc/69/55/98/1390695598.db2.gz LFMLTMFCRJTEJU-QGZVFWFLSA-N 2 1 331.504 3.458 20 0 EGADMP O=C(O[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C[NH+]2CCCCC2)o1 ZINC001343532580 1390720775 /nfs/dbraw/zinc/72/07/75/1390720775.db2.gz IZKPTIIAQLYXSC-CVEARBPZSA-N 2 1 332.444 3.049 20 0 EGADMP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccncc1 ZINC001344428686 1390790809 /nfs/dbraw/zinc/79/08/09/1390790809.db2.gz ALNKMDUDWIOZIP-OAQYLSRUSA-N 2 1 338.499 3.070 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2N2CCCC2)CC[C@@H]1C(F)(F)F ZINC001348446639 1391221066 /nfs/dbraw/zinc/22/10/66/1391221066.db2.gz IXDPUISDIDLINF-CVEARBPZSA-N 2 1 341.421 3.246 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2N2CCCC2)CC[C@@H]1C(F)(F)F ZINC001348446639 1391221070 /nfs/dbraw/zinc/22/10/70/1391221070.db2.gz IXDPUISDIDLINF-CVEARBPZSA-N 2 1 341.421 3.246 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)C[C@H]([NH3+])c2ccccc2)cc1Cl ZINC001349896731 1391382742 /nfs/dbraw/zinc/38/27/42/1391382742.db2.gz LJZLNPYZYNBAJM-KRWDZBQOSA-N 2 1 331.847 3.430 20 0 EGADMP CN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001479895873 1392464712 /nfs/dbraw/zinc/46/47/12/1392464712.db2.gz CFPAKZHAPRJVQH-FQEVSTJZSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCCC[N@H+]2CC2CCC2)CCCCC1 ZINC001480323484 1392683301 /nfs/dbraw/zinc/68/33/01/1392683301.db2.gz LRUMOVQTFJUJFY-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001480388668 1392734390 /nfs/dbraw/zinc/73/43/90/1392734390.db2.gz ZDSIOTFFCGWSSZ-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001480388668 1392734393 /nfs/dbraw/zinc/73/43/93/1392734393.db2.gz ZDSIOTFFCGWSSZ-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001480388668 1392734398 /nfs/dbraw/zinc/73/43/98/1392734398.db2.gz ZDSIOTFFCGWSSZ-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001480388668 1392734401 /nfs/dbraw/zinc/73/44/01/1392734401.db2.gz ZDSIOTFFCGWSSZ-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CCc1ccc(C[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001480920644 1393020630 /nfs/dbraw/zinc/02/06/30/1393020630.db2.gz WBDXUBQBHCLMHA-GOSISDBHSA-N 2 1 345.531 3.062 20 0 EGADMP CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001481286833 1393158638 /nfs/dbraw/zinc/15/86/38/1393158638.db2.gz CLHVDYKMBRTVOI-WOJBJXKFSA-N 2 1 345.531 3.449 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001481339412 1393167380 /nfs/dbraw/zinc/16/73/80/1393167380.db2.gz KNPZWBGXUGYKSF-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001490623141 1394287068 /nfs/dbraw/zinc/28/70/68/1394287068.db2.gz JEFRAOHNHRNJEY-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CCCC1CCC1)C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481500218 1394347265 /nfs/dbraw/zinc/34/72/65/1394347265.db2.gz DXXKLUAMVBYELO-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001491110064 1394431497 /nfs/dbraw/zinc/43/14/97/1394431497.db2.gz CQDMLNPQNGMVBA-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(C)ccc1C ZINC001491273332 1394500381 /nfs/dbraw/zinc/50/03/81/1394500381.db2.gz GUXPSLNAUXPYKN-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001481773449 1394518026 /nfs/dbraw/zinc/51/80/26/1394518026.db2.gz VNWRPMRWGNIKBC-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001481773448 1394518087 /nfs/dbraw/zinc/51/80/87/1394518087.db2.gz VNWRPMRWGNIKBC-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001482020561 1394676839 /nfs/dbraw/zinc/67/68/39/1394676839.db2.gz JBFHGQQPNIHQRM-VJANTYMQSA-N 2 1 337.552 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@]2(CC[NH+](CCCC3CCC3)C2)C1 ZINC001483847692 1395114725 /nfs/dbraw/zinc/11/47/25/1395114725.db2.gz NXPNIMWYEFURNG-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@]2(CC[N@H+](CCCC3CCC3)C2)C1 ZINC001483847692 1395114726 /nfs/dbraw/zinc/11/47/26/1395114726.db2.gz NXPNIMWYEFURNG-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@]2(CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001483847692 1395114730 /nfs/dbraw/zinc/11/47/30/1395114730.db2.gz NXPNIMWYEFURNG-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001484473418 1395407916 /nfs/dbraw/zinc/40/79/16/1395407916.db2.gz UHJJQYFYOFZOKS-YZGWKJHDSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001485311467 1395788733 /nfs/dbraw/zinc/78/87/33/1395788733.db2.gz AAFNQLKSBNHUJN-INIZCTEOSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001485509042 1395988340 /nfs/dbraw/zinc/98/83/40/1395988340.db2.gz KWDHTFIZLVMJPI-OXQOHEQNSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001486207717 1396182337 /nfs/dbraw/zinc/18/23/37/1396182337.db2.gz MJIZFXRDTDURNI-ZWKOTPCHSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1ccccc1F ZINC001699001129 1406810331 /nfs/dbraw/zinc/81/03/31/1406810331.db2.gz JOJCZYDRUYHFKF-APWZRJJASA-N 2 1 349.494 3.150 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1ccccc1F ZINC001699001129 1406810337 /nfs/dbraw/zinc/81/03/37/1406810337.db2.gz JOJCZYDRUYHFKF-APWZRJJASA-N 2 1 349.494 3.150 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)[C@H](C)c1ccccc1F ZINC001699001129 1406810343 /nfs/dbraw/zinc/81/03/43/1406810343.db2.gz JOJCZYDRUYHFKF-APWZRJJASA-N 2 1 349.494 3.150 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccccc1F ZINC001699001129 1406810345 /nfs/dbraw/zinc/81/03/45/1406810345.db2.gz JOJCZYDRUYHFKF-APWZRJJASA-N 2 1 349.494 3.150 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1)[NH+](C)C ZINC001690041326 1404276424 /nfs/dbraw/zinc/27/64/24/1404276424.db2.gz MKZHLWBHLDJRTE-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001690388749 1404525455 /nfs/dbraw/zinc/52/54/55/1404525455.db2.gz PCDYNAXPIOTWQH-ICSRJNTNSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001690490809 1404604161 /nfs/dbraw/zinc/60/41/61/1404604161.db2.gz FKCDEFDFKAZCSM-MOPGFXCFSA-N 2 1 335.536 3.118 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001690825040 1404762690 /nfs/dbraw/zinc/76/26/90/1404762690.db2.gz QCNNSGAAOKGWCV-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001690825040 1404762692 /nfs/dbraw/zinc/76/26/92/1404762692.db2.gz QCNNSGAAOKGWCV-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001690825040 1404762695 /nfs/dbraw/zinc/76/26/95/1404762695.db2.gz QCNNSGAAOKGWCV-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001690958253 1404866021 /nfs/dbraw/zinc/86/60/21/1404866021.db2.gz ZTMVZAMDEQRXAT-OAHLLOKOSA-N 2 1 349.906 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001690970822 1404878639 /nfs/dbraw/zinc/87/86/39/1404878639.db2.gz LMLRXAPRNFXYRX-SJLPKXTDSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001690970822 1404878646 /nfs/dbraw/zinc/87/86/46/1404878646.db2.gz LMLRXAPRNFXYRX-SJLPKXTDSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001690970822 1404878653 /nfs/dbraw/zinc/87/86/53/1404878653.db2.gz LMLRXAPRNFXYRX-SJLPKXTDSA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001691065801 1404992584 /nfs/dbraw/zinc/99/25/84/1404992584.db2.gz GLIKJBLNLZSVMI-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@H+](C)CC ZINC001691065801 1404992586 /nfs/dbraw/zinc/99/25/86/1404992586.db2.gz GLIKJBLNLZSVMI-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@@H+](C)CC ZINC001691065801 1404992587 /nfs/dbraw/zinc/99/25/87/1404992587.db2.gz GLIKJBLNLZSVMI-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H]1C ZINC001725631056 1426299724 /nfs/dbraw/zinc/29/97/24/1426299724.db2.gz OEXCDPBHMKSYBZ-WMZOPIPTSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1C ZINC001725631056 1426299725 /nfs/dbraw/zinc/29/97/25/1426299725.db2.gz OEXCDPBHMKSYBZ-WMZOPIPTSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1C ZINC001725631056 1426299726 /nfs/dbraw/zinc/29/97/26/1426299726.db2.gz OEXCDPBHMKSYBZ-WMZOPIPTSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001691446877 1405274709 /nfs/dbraw/zinc/27/47/09/1405274709.db2.gz IZNDBTVXVFIPOA-NSHGMRRFSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)C[N@H+](C)CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001692030317 1405746079 /nfs/dbraw/zinc/74/60/79/1405746079.db2.gz LGQCUGIOIIKUAI-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)C[N@@H+](C)CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001692030317 1405746080 /nfs/dbraw/zinc/74/60/80/1405746080.db2.gz LGQCUGIOIIKUAI-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001698549139 1406147457 /nfs/dbraw/zinc/14/74/57/1406147457.db2.gz ASQZTWBUDDBYJO-ICSRJNTNSA-N 2 1 343.515 3.123 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)c1ccccc1C ZINC001732032528 1428249728 /nfs/dbraw/zinc/24/97/28/1428249728.db2.gz XXXDAFNZWXCOHT-GBESFXJTSA-N 2 1 343.515 3.073 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1ccccc1C ZINC001732032528 1428249732 /nfs/dbraw/zinc/24/97/32/1428249732.db2.gz XXXDAFNZWXCOHT-GBESFXJTSA-N 2 1 343.515 3.073 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccccc1C ZINC001732032528 1428249733 /nfs/dbraw/zinc/24/97/33/1428249733.db2.gz XXXDAFNZWXCOHT-GBESFXJTSA-N 2 1 343.515 3.073 20 0 EGADMP C[NH+](CCC(=O)N1CC[C@H](C[N@@H+](C)CCC2CC2)C1)C1CCCCC1 ZINC001732075199 1428326726 /nfs/dbraw/zinc/32/67/26/1428326726.db2.gz DLQYTQWHPDOMEY-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CC1)C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001732075199 1428326731 /nfs/dbraw/zinc/32/67/31/1428326731.db2.gz DLQYTQWHPDOMEY-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CC1)C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001732075199 1428326733 /nfs/dbraw/zinc/32/67/33/1428326733.db2.gz DLQYTQWHPDOMEY-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001732534334 1428655264 /nfs/dbraw/zinc/65/52/64/1428655264.db2.gz XCOGQZTXNLLJKW-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP C[C@H](C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1)NC(=O)CCC[NH+](C)C ZINC001699460911 1412814483 /nfs/dbraw/zinc/81/44/83/1412814483.db2.gz GIMJOHWOFXJFHH-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001699473875 1412860544 /nfs/dbraw/zinc/86/05/44/1412860544.db2.gz DRKBSRHPUHJNRV-RTBURBONSA-N 2 1 345.531 3.369 20 0 EGADMP Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)CCC[NH+]2CCCC2)c(C)c1 ZINC001699473876 1412860926 /nfs/dbraw/zinc/86/09/26/1412860926.db2.gz DRSDJXQRYGLIEP-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001699489653 1412886694 /nfs/dbraw/zinc/88/66/94/1412886694.db2.gz ZZLYGEGFAQUFRL-RTBURBONSA-N 2 1 337.552 3.173 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC001699630681 1413001317 /nfs/dbraw/zinc/00/13/17/1413001317.db2.gz ROGDYBNGRRFULX-LJQANCHMSA-N 2 1 345.531 3.016 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC(C(C)(C)C)CC2)CC1 ZINC001699658594 1413041708 /nfs/dbraw/zinc/04/17/08/1413041708.db2.gz BLFXFVFMDDWOHN-DAWZGUTISA-N 2 1 349.563 3.172 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001699946833 1413391068 /nfs/dbraw/zinc/39/10/68/1413391068.db2.gz APLCOGCVGYKOTL-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001732550160 1428731140 /nfs/dbraw/zinc/73/11/40/1428731140.db2.gz HIRQWBVZCJAWFR-IBGZPJMESA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001732550160 1428731144 /nfs/dbraw/zinc/73/11/44/1428731144.db2.gz HIRQWBVZCJAWFR-IBGZPJMESA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001732550160 1428731146 /nfs/dbraw/zinc/73/11/46/1428731146.db2.gz HIRQWBVZCJAWFR-IBGZPJMESA-N 2 1 337.552 3.218 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)CCC[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC001700203121 1413647774 /nfs/dbraw/zinc/64/77/74/1413647774.db2.gz HDICFEQLMYKPIF-QGZVFWFLSA-N 2 1 342.487 3.041 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)CCC[N@H+](C)[C@H](C)c1cccc(C)c1 ZINC001700203121 1413647776 /nfs/dbraw/zinc/64/77/76/1413647776.db2.gz HDICFEQLMYKPIF-QGZVFWFLSA-N 2 1 342.487 3.041 20 0 EGADMP CN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CC([NH2+]CCC2CC2)C1 ZINC001701021376 1414682141 /nfs/dbraw/zinc/68/21/41/1414682141.db2.gz HDXSCRPTPMGESV-UHFFFAOYSA-N 2 1 335.536 3.020 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1cccc(F)c1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001732774511 1428962019 /nfs/dbraw/zinc/96/20/19/1428962019.db2.gz GAZJNRWIBALLLR-QFBILLFUSA-N 2 1 349.494 3.198 20 0 EGADMP C[C@H](C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001732968188 1429092850 /nfs/dbraw/zinc/09/28/50/1429092850.db2.gz PXRQTFPDBPDZFE-JTDSTZFVSA-N 2 1 345.531 3.234 20 0 EGADMP CC1CC(C[NH2+][C@H]2C[C@@H](CNC(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001707067822 1417181685 /nfs/dbraw/zinc/18/16/85/1417181685.db2.gz IOLLQLNSWIHBHT-YHFFBGSDSA-N 2 1 349.563 3.172 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001707439008 1417342912 /nfs/dbraw/zinc/34/29/12/1417342912.db2.gz BRMNZFIXKPUSSU-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP C[C@H](C[N@@H+](C)CC1CCCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001733058282 1429203397 /nfs/dbraw/zinc/20/33/97/1429203397.db2.gz ITEYSDMNLUTYIS-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001713259158 1417865674 /nfs/dbraw/zinc/86/56/74/1417865674.db2.gz MOMHCIBNJRHNOV-HXUWFJFHSA-N 2 1 343.515 3.033 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001713757754 1418562005 /nfs/dbraw/zinc/56/20/05/1418562005.db2.gz LJIJXIDEHPNDDP-IRXDYDNUSA-N 2 1 349.494 3.009 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001713757754 1418562008 /nfs/dbraw/zinc/56/20/08/1418562008.db2.gz LJIJXIDEHPNDDP-IRXDYDNUSA-N 2 1 349.494 3.009 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001713757754 1418562009 /nfs/dbraw/zinc/56/20/09/1418562009.db2.gz LJIJXIDEHPNDDP-IRXDYDNUSA-N 2 1 349.494 3.009 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1Cc1ccc(C)cc1C ZINC001714117262 1418920283 /nfs/dbraw/zinc/92/02/83/1418920283.db2.gz UGYFBHGMGLXXLN-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C)cc1C ZINC001714117262 1418920284 /nfs/dbraw/zinc/92/02/84/1418920284.db2.gz UGYFBHGMGLXXLN-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C)cc1C ZINC001714117262 1418920285 /nfs/dbraw/zinc/92/02/85/1418920285.db2.gz UGYFBHGMGLXXLN-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCn1ccnc1 ZINC001714145709 1418950021 /nfs/dbraw/zinc/95/00/21/1418950021.db2.gz RFMOSTVUPUEBJZ-OALUTQOASA-N 2 1 346.519 3.309 20 0 EGADMP CC[C@@H](C(=O)NCC[N@@H+](CC)Cc1ccc2ccccc2c1)[NH+](C)C ZINC001714597147 1419350171 /nfs/dbraw/zinc/35/01/71/1419350171.db2.gz KGZBFMAUIAEJDG-FQEVSTJZSA-N 2 1 341.499 3.118 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H](C)c1ccccc1F ZINC001714655512 1419436001 /nfs/dbraw/zinc/43/60/01/1419436001.db2.gz DXVDIOITCJYMEM-MRXNPFEDSA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC001714777912 1419504725 /nfs/dbraw/zinc/50/47/25/1419504725.db2.gz RZLVAVKLLUYQCV-SJORKVTESA-N 2 1 342.487 3.204 20 0 EGADMP CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001714924955 1419678566 /nfs/dbraw/zinc/67/85/66/1419678566.db2.gz YUVYDJOOORSPMX-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCCC[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001714924955 1419678567 /nfs/dbraw/zinc/67/85/67/1419678567.db2.gz YUVYDJOOORSPMX-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001714924955 1419678569 /nfs/dbraw/zinc/67/85/69/1419678569.db2.gz YUVYDJOOORSPMX-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001714924955 1419678571 /nfs/dbraw/zinc/67/85/71/1419678571.db2.gz YUVYDJOOORSPMX-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@H+](C)CCC(=O)NC1C[NH+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC001714951003 1419691799 /nfs/dbraw/zinc/69/17/99/1419691799.db2.gz RUIWIKJRLDIBIZ-INIZCTEOSA-N 2 1 339.483 3.043 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1C[NH+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC001714951003 1419691801 /nfs/dbraw/zinc/69/18/01/1419691801.db2.gz RUIWIKJRLDIBIZ-INIZCTEOSA-N 2 1 339.483 3.043 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001715031042 1419763993 /nfs/dbraw/zinc/76/39/93/1419763993.db2.gz MGADQBITNCMJQZ-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC001715035819 1419770905 /nfs/dbraw/zinc/77/09/05/1419770905.db2.gz AWNMPRWMZNHBMY-PKOBYXMFSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)C[N@H+](C)C1CCC1)[C@@H]1CC[NH+](C[C@@H](C)CC(C)C)C1 ZINC001715035819 1419770908 /nfs/dbraw/zinc/77/09/08/1419770908.db2.gz AWNMPRWMZNHBMY-PKOBYXMFSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)C[N@@H+](C)C1CCC1)[C@@H]1CC[NH+](C[C@@H](C)CC(C)C)C1 ZINC001715035819 1419770910 /nfs/dbraw/zinc/77/09/10/1419770910.db2.gz AWNMPRWMZNHBMY-PKOBYXMFSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@H]1CC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001715048540 1419789795 /nfs/dbraw/zinc/78/97/95/1419789795.db2.gz UQUJZRNLWIKLMX-MOPGFXCFSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC001715048540 1419789798 /nfs/dbraw/zinc/78/97/98/1419789798.db2.gz UQUJZRNLWIKLMX-MOPGFXCFSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001715048540 1419789799 /nfs/dbraw/zinc/78/97/99/1419789799.db2.gz UQUJZRNLWIKLMX-MOPGFXCFSA-N 2 1 345.531 3.321 20 0 EGADMP CCc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)CC[N@H+](C)CC)CC2)c1 ZINC001715191959 1419923995 /nfs/dbraw/zinc/92/39/95/1419923995.db2.gz WZRLVWFXNKXMMM-MXVIHJGJSA-N 2 1 345.531 3.108 20 0 EGADMP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001715249794 1419975488 /nfs/dbraw/zinc/97/54/88/1419975488.db2.gz AXPYPLVIJZORDM-ICSRJNTNSA-N 2 1 345.531 3.100 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)CC[N@@H+](C)C2CCCCC2)CCCC1 ZINC001715302500 1420010720 /nfs/dbraw/zinc/01/07/20/1420010720.db2.gz XVWBURFYFJPVPE-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C[NH2+]CC1CC1)C1CCCCC1 ZINC001715402031 1420100691 /nfs/dbraw/zinc/10/06/91/1420100691.db2.gz JLCQTPRDMIRBCX-GOSISDBHSA-N 2 1 346.519 3.071 20 0 EGADMP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CCC1CCCCCC1 ZINC001715491717 1420173188 /nfs/dbraw/zinc/17/31/88/1420173188.db2.gz UDXSNFIPZNVWAI-RTBURBONSA-N 2 1 337.552 3.172 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001715521327 1420207610 /nfs/dbraw/zinc/20/76/10/1420207610.db2.gz PCXBTUYGINNDEL-UYAOXDASSA-N 2 1 345.531 3.319 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001715521327 1420207613 /nfs/dbraw/zinc/20/76/13/1420207613.db2.gz PCXBTUYGINNDEL-UYAOXDASSA-N 2 1 345.531 3.319 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001715521327 1420207615 /nfs/dbraw/zinc/20/76/15/1420207615.db2.gz PCXBTUYGINNDEL-UYAOXDASSA-N 2 1 345.531 3.319 20 0 EGADMP CC1CC(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001715521359 1420208664 /nfs/dbraw/zinc/20/86/64/1420208664.db2.gz PWLQNKAYQQNKDY-CTWPCTMYSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[NH+](C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001715521359 1420208667 /nfs/dbraw/zinc/20/86/67/1420208667.db2.gz PWLQNKAYQQNKDY-CTWPCTMYSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[NH+](C)CCN(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001715521359 1420208670 /nfs/dbraw/zinc/20/86/70/1420208670.db2.gz PWLQNKAYQQNKDY-CTWPCTMYSA-N 2 1 349.563 3.077 20 0 EGADMP CN(CC[N@@H+](C)CC1CCCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001715539283 1420236859 /nfs/dbraw/zinc/23/68/59/1420236859.db2.gz IDXPOTHGDRBZMW-UHFFFAOYSA-N 2 1 345.531 3.332 20 0 EGADMP C[C@H](c1ccccc1)[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716031998 1420491177 /nfs/dbraw/zinc/49/11/77/1420491177.db2.gz VNTBSTYIPSMQSA-ZWKOTPCHSA-N 2 1 345.531 3.449 20 0 EGADMP CC(C)C[N@@H+](CC1CC1)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001733277651 1429443613 /nfs/dbraw/zinc/44/36/13/1429443613.db2.gz VLYDQCNAPWTJED-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001716767773 1420913070 /nfs/dbraw/zinc/91/30/70/1420913070.db2.gz PQUXOJBFLKWMQU-SJLPKXTDSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001717123814 1421126443 /nfs/dbraw/zinc/12/64/43/1421126443.db2.gz XUDRVZMWBHRZTC-FHWLQOOXSA-N 2 1 337.552 3.170 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001717203167 1421172046 /nfs/dbraw/zinc/17/20/46/1421172046.db2.gz LRLHEOIKLBBXAT-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001717203167 1421172048 /nfs/dbraw/zinc/17/20/48/1421172048.db2.gz LRLHEOIKLBBXAT-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001717203167 1421172050 /nfs/dbraw/zinc/17/20/50/1421172050.db2.gz LRLHEOIKLBBXAT-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001717203167 1421172051 /nfs/dbraw/zinc/17/20/51/1421172051.db2.gz LRLHEOIKLBBXAT-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C1C[NH+](CCC2CCCC2)C1 ZINC001717559618 1421495741 /nfs/dbraw/zinc/49/57/41/1421495741.db2.gz SOSLHMUJAAWJDF-MRXNPFEDSA-N 2 1 346.519 3.023 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC([N@@H+](C)CC3CCC3)CC2)CCCCC1 ZINC001717702646 1421576204 /nfs/dbraw/zinc/57/62/04/1421576204.db2.gz XILCDDNHTONLQL-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2F)C[C@@H]1C ZINC001733336404 1429521524 /nfs/dbraw/zinc/52/15/24/1429521524.db2.gz UGQDAPYWAAOXIS-WMZOPIPTSA-N 2 1 349.494 3.027 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001724329033 1424817919 /nfs/dbraw/zinc/81/79/19/1424817919.db2.gz CJZLYKCBKNUJSU-RXVVDRJESA-N 2 1 345.531 3.308 20 0 EGADMP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)CC2)CCC1 ZINC001724836270 1425184927 /nfs/dbraw/zinc/18/49/27/1425184927.db2.gz GVPCENXLXQARFN-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001724845893 1425197729 /nfs/dbraw/zinc/19/77/29/1425197729.db2.gz FPBLWRYIWDUFHT-LJQANCHMSA-N 2 1 348.535 3.379 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001724845893 1425197735 /nfs/dbraw/zinc/19/77/35/1425197735.db2.gz FPBLWRYIWDUFHT-LJQANCHMSA-N 2 1 348.535 3.379 20 0 EGADMP CC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001724865259 1425248638 /nfs/dbraw/zinc/24/86/38/1425248638.db2.gz CXOUBUSVSVUFES-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001725003483 1425414336 /nfs/dbraw/zinc/41/43/36/1425414336.db2.gz PQQZJDJWAQRCBT-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001725003483 1425414337 /nfs/dbraw/zinc/41/43/37/1425414337.db2.gz PQQZJDJWAQRCBT-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001725003483 1425414338 /nfs/dbraw/zinc/41/43/38/1425414338.db2.gz PQQZJDJWAQRCBT-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCC[NH+](CCCC(C)(C)C)C3)C1 ZINC001725344343 1425994547 /nfs/dbraw/zinc/99/45/47/1425994547.db2.gz FVLWNRCGNBVDAL-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CC3(C2)CCC[N@H+](CCCC(C)(C)C)C3)C1 ZINC001725344343 1425994549 /nfs/dbraw/zinc/99/45/49/1425994549.db2.gz FVLWNRCGNBVDAL-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CC3(C2)CCC[N@@H+](CCCC(C)(C)C)C3)C1 ZINC001725344343 1425994552 /nfs/dbraw/zinc/99/45/52/1425994552.db2.gz FVLWNRCGNBVDAL-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2c(C)cccc2C)[C@H]1C ZINC001725627489 1426294354 /nfs/dbraw/zinc/29/43/54/1426294354.db2.gz LNDCFRPHDMBWGW-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2c(C)cccc2C)[C@H]1C ZINC001725627489 1426294356 /nfs/dbraw/zinc/29/43/56/1426294356.db2.gz LNDCFRPHDMBWGW-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(C)cccc2C)[C@H]1C ZINC001725627489 1426294367 /nfs/dbraw/zinc/29/43/67/1426294367.db2.gz LNDCFRPHDMBWGW-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC001731735328 1427814828 /nfs/dbraw/zinc/81/48/28/1427814828.db2.gz NGWSUALKKXNOFC-SJORKVTESA-N 2 1 333.520 3.210 20 0 EGADMP CC[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)[C@H](C)c1ccc(F)cc1 ZINC001731816496 1428012094 /nfs/dbraw/zinc/01/20/94/1428012094.db2.gz MBWFAGKKVZUXQU-QGZVFWFLSA-N 2 1 349.494 3.201 20 0 EGADMP O=C(CCC[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001731859803 1428097858 /nfs/dbraw/zinc/09/78/58/1428097858.db2.gz GGVSJVOZVHIJGW-FQEVSTJZSA-N 2 1 349.563 3.271 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001733606729 1429819797 /nfs/dbraw/zinc/81/97/97/1429819797.db2.gz YXGDRAMKSBIRCQ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001733761738 1429976521 /nfs/dbraw/zinc/97/65/21/1429976521.db2.gz ADYXVKQRPXOYJQ-UYAOXDASSA-N 2 1 345.531 3.369 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)CC1(C)C ZINC001733875945 1437703092 /nfs/dbraw/zinc/70/30/92/1437703092.db2.gz QCZHLEKGPFZOAL-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001733939435 1437755178 /nfs/dbraw/zinc/75/51/78/1437755178.db2.gz BGWZKEIJHFJKKZ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CN(CC(C)(C)C[NH2+]Cc1ccccc1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001734020961 1437809854 /nfs/dbraw/zinc/80/98/54/1437809854.db2.gz XORMAUBPPFOUJB-UHFFFAOYSA-N 2 1 347.547 3.239 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)[C@H]1C ZINC001734404373 1438084114 /nfs/dbraw/zinc/08/41/14/1438084114.db2.gz RXKIKJWUNAGISN-QUCCMNQESA-N 2 1 345.531 3.033 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001734456190 1438113539 /nfs/dbraw/zinc/11/35/39/1438113539.db2.gz GXULZFCUHLVSOK-APWZRJJASA-N 2 1 348.535 3.377 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001734456190 1438113542 /nfs/dbraw/zinc/11/35/42/1438113542.db2.gz GXULZFCUHLVSOK-APWZRJJASA-N 2 1 348.535 3.377 20 0 EGADMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CCC[N@H+]1CC1CCC1 ZINC001734464069 1438120703 /nfs/dbraw/zinc/12/07/03/1438120703.db2.gz XGINEASZLZCJRK-FXAWDEMLSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CCC[NH+]1CC1CCC1 ZINC001734464069 1438120705 /nfs/dbraw/zinc/12/07/05/1438120705.db2.gz XGINEASZLZCJRK-FXAWDEMLSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CCC[NH+]1CC1CCC1 ZINC001734464069 1438120707 /nfs/dbraw/zinc/12/07/07/1438120707.db2.gz XGINEASZLZCJRK-FXAWDEMLSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]([NH2+]C1CC(N(C)C(=O)CC[N@@H+](C)CC)C1)c1ccc(F)cc1 ZINC001734601194 1438182971 /nfs/dbraw/zinc/18/29/71/1438182971.db2.gz BYNRNAYGCJHYLI-CTWPCTMYSA-N 2 1 349.494 3.198 20 0 EGADMP Cc1cc(C[N@@H+](C)CCCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)cs1 ZINC001752075602 1440138566 /nfs/dbraw/zinc/13/85/66/1440138566.db2.gz GFLCAAUCWUCUNJ-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[NH+](C)CCCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)cs1 ZINC001752075602 1440138567 /nfs/dbraw/zinc/13/85/67/1440138567.db2.gz GFLCAAUCWUCUNJ-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[NH+](C)CCCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)cs1 ZINC001752075602 1440138568 /nfs/dbraw/zinc/13/85/68/1440138568.db2.gz GFLCAAUCWUCUNJ-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+](CC1CC2(CCC2)C1)C1CC1 ZINC001752267198 1440162663 /nfs/dbraw/zinc/16/26/63/1440162663.db2.gz WJAFWUBPHVVCSC-IBGZPJMESA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NCCC[N@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001752267198 1440162665 /nfs/dbraw/zinc/16/26/65/1440162665.db2.gz WJAFWUBPHVVCSC-IBGZPJMESA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NCCC[N@@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001752267198 1440162666 /nfs/dbraw/zinc/16/26/66/1440162666.db2.gz WJAFWUBPHVVCSC-IBGZPJMESA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001752293371 1440166508 /nfs/dbraw/zinc/16/65/08/1440166508.db2.gz JPGPQCJGHMSEPG-UYAOXDASSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001752293371 1440166510 /nfs/dbraw/zinc/16/65/10/1440166510.db2.gz JPGPQCJGHMSEPG-UYAOXDASSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001752293371 1440166512 /nfs/dbraw/zinc/16/65/12/1440166512.db2.gz JPGPQCJGHMSEPG-UYAOXDASSA-N 2 1 343.515 3.060 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCC1CCCCCC1)C1CC1 ZINC001752470690 1440184397 /nfs/dbraw/zinc/18/43/97/1440184397.db2.gz IAIDDHGJNUIGGO-VQTJNVASSA-N 2 1 349.563 3.316 20 0 EGADMP CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC001752539020 1440194383 /nfs/dbraw/zinc/19/43/83/1440194383.db2.gz WHNOSNNNMGVUOB-KDURUIRLSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001752539020 1440194384 /nfs/dbraw/zinc/19/43/84/1440194384.db2.gz WHNOSNNNMGVUOB-KDURUIRLSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001752539020 1440194385 /nfs/dbraw/zinc/19/43/85/1440194385.db2.gz WHNOSNNNMGVUOB-KDURUIRLSA-N 2 1 335.536 3.116 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+](C)C)c1 ZINC001752542020 1440194651 /nfs/dbraw/zinc/19/46/51/1440194651.db2.gz DBGLQEYHPJGNFK-YSIASYRMSA-N 2 1 343.515 3.073 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001752784116 1440210030 /nfs/dbraw/zinc/21/00/30/1440210030.db2.gz WCPSJTVFGCBCJV-CQQBRXBZSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001752784116 1440210031 /nfs/dbraw/zinc/21/00/31/1440210031.db2.gz WCPSJTVFGCBCJV-CQQBRXBZSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001752784116 1440210032 /nfs/dbraw/zinc/21/00/32/1440210032.db2.gz WCPSJTVFGCBCJV-CQQBRXBZSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001752784118 1440210460 /nfs/dbraw/zinc/21/04/60/1440210460.db2.gz WCPSJTVFGCBCJV-YSKLNCTFSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001752784118 1440210461 /nfs/dbraw/zinc/21/04/61/1440210461.db2.gz WCPSJTVFGCBCJV-YSKLNCTFSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001752784118 1440210462 /nfs/dbraw/zinc/21/04/62/1440210462.db2.gz WCPSJTVFGCBCJV-YSKLNCTFSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001752785567 1440211215 /nfs/dbraw/zinc/21/12/15/1440211215.db2.gz XNHFMSQRUBQLTP-XFHJGTJQSA-N 2 1 335.536 3.045 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001752818802 1440219194 /nfs/dbraw/zinc/21/91/94/1440219194.db2.gz JDLPISDGMPZEDY-CKHBTRQNSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001752818802 1440219195 /nfs/dbraw/zinc/21/91/95/1440219195.db2.gz JDLPISDGMPZEDY-CKHBTRQNSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001752818802 1440219196 /nfs/dbraw/zinc/21/91/96/1440219196.db2.gz JDLPISDGMPZEDY-CKHBTRQNSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001752841139 1440230364 /nfs/dbraw/zinc/23/03/64/1440230364.db2.gz OBJKETAASSKAFO-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1ccc(C)c(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001752884860 1440239670 /nfs/dbraw/zinc/23/96/70/1440239670.db2.gz HMWNCNTUIDAFDK-QUCCMNQESA-N 2 1 345.531 3.018 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCC1CCCCC1 ZINC001752903496 1440243508 /nfs/dbraw/zinc/24/35/08/1440243508.db2.gz PQHLIKYBINRVLT-PKOBYXMFSA-N 2 1 337.552 3.314 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C[NH2+]CCC3CCCCCC3)C2)C1 ZINC001752951484 1440252240 /nfs/dbraw/zinc/25/22/40/1440252240.db2.gz HEHMLWUOKAIIIA-QUCCMNQESA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC001752959004 1440253110 /nfs/dbraw/zinc/25/31/10/1440253110.db2.gz RUEVBBGEWLMPET-LPHOPBHVSA-N 2 1 349.494 3.057 20 0 EGADMP Cc1cc(C)cc(C[NH2+][C@@H]2CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001752983381 1440257517 /nfs/dbraw/zinc/25/75/17/1440257517.db2.gz JJOTWZQWWHRBOA-UXHICEINSA-N 2 1 345.531 3.161 20 0 EGADMP CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001752995156 1440261579 /nfs/dbraw/zinc/26/15/79/1440261579.db2.gz OZGJSGJJTULGPH-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[NH+](C)[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001752995156 1440261580 /nfs/dbraw/zinc/26/15/80/1440261580.db2.gz OZGJSGJJTULGPH-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[NH+](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001752995156 1440261581 /nfs/dbraw/zinc/26/15/81/1440261581.db2.gz OZGJSGJJTULGPH-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001752998044 1440263028 /nfs/dbraw/zinc/26/30/28/1440263028.db2.gz YDBRBDFZILNLSG-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001752998044 1440263029 /nfs/dbraw/zinc/26/30/29/1440263029.db2.gz YDBRBDFZILNLSG-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001752998044 1440263030 /nfs/dbraw/zinc/26/30/30/1440263030.db2.gz YDBRBDFZILNLSG-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)CCC1CCCCC1 ZINC001753082718 1440294775 /nfs/dbraw/zinc/29/47/75/1440294775.db2.gz NNFNNIMEAAPEGR-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)CCC1CCCCC1 ZINC001753082718 1440294776 /nfs/dbraw/zinc/29/47/76/1440294776.db2.gz NNFNNIMEAAPEGR-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)CCC1CCCCC1 ZINC001753082718 1440294777 /nfs/dbraw/zinc/29/47/77/1440294777.db2.gz NNFNNIMEAAPEGR-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)CCC1CCCCC1 ZINC001753094887 1440301928 /nfs/dbraw/zinc/30/19/28/1440301928.db2.gz LCCIKWREBNMJHX-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)CCC1CCCCC1 ZINC001753094887 1440301929 /nfs/dbraw/zinc/30/19/29/1440301929.db2.gz LCCIKWREBNMJHX-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)CCC1CCCCC1 ZINC001753094887 1440301930 /nfs/dbraw/zinc/30/19/30/1440301930.db2.gz LCCIKWREBNMJHX-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CN(CC[NH2+]CCC1CCCCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001753203142 1440338505 /nfs/dbraw/zinc/33/85/05/1440338505.db2.gz SKQYUIWUFPOLPT-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)CC[NH2+]CC1CCC(C)(C)CC1 ZINC001753241961 1440342218 /nfs/dbraw/zinc/34/22/18/1440342218.db2.gz ALEWYKKWWPOYDN-UHFFFAOYSA-N 2 1 348.535 3.236 20 0 EGADMP Cc1ccccc1C[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001753292230 1440350726 /nfs/dbraw/zinc/35/07/26/1440350726.db2.gz GWWRXIHFAQFJFH-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccccc1C[NH+](CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001753292230 1440350727 /nfs/dbraw/zinc/35/07/27/1440350727.db2.gz GWWRXIHFAQFJFH-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccccc1C[NH+](CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001753292230 1440350728 /nfs/dbraw/zinc/35/07/28/1440350728.db2.gz GWWRXIHFAQFJFH-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001753326691 1440367166 /nfs/dbraw/zinc/36/71/66/1440367166.db2.gz IJGSHYGKDJOYPI-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001753341393 1440375736 /nfs/dbraw/zinc/37/57/36/1440375736.db2.gz XENJSTPZSXNHLJ-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001753341393 1440375737 /nfs/dbraw/zinc/37/57/37/1440375737.db2.gz XENJSTPZSXNHLJ-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001753341393 1440375738 /nfs/dbraw/zinc/37/57/38/1440375738.db2.gz XENJSTPZSXNHLJ-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001753350244 1440377456 /nfs/dbraw/zinc/37/74/56/1440377456.db2.gz FRQKUCUMSPAQIZ-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001753350244 1440377457 /nfs/dbraw/zinc/37/74/57/1440377457.db2.gz FRQKUCUMSPAQIZ-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001753350244 1440377458 /nfs/dbraw/zinc/37/74/58/1440377458.db2.gz FRQKUCUMSPAQIZ-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001753357971 1440381096 /nfs/dbraw/zinc/38/10/96/1440381096.db2.gz IUFZHLCQAAHCNT-IAGOWNOFSA-N 2 1 349.494 3.009 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001753357971 1440381097 /nfs/dbraw/zinc/38/10/97/1440381097.db2.gz IUFZHLCQAAHCNT-IAGOWNOFSA-N 2 1 349.494 3.009 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001753357971 1440381098 /nfs/dbraw/zinc/38/10/98/1440381098.db2.gz IUFZHLCQAAHCNT-IAGOWNOFSA-N 2 1 349.494 3.009 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1CCC[NH+](CC)C1 ZINC001753361374 1440382904 /nfs/dbraw/zinc/38/29/04/1440382904.db2.gz DSCZRGCXNHNZFT-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP CCC[NH+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1CCC[N@H+](CC)C1 ZINC001753361374 1440382905 /nfs/dbraw/zinc/38/29/05/1440382905.db2.gz DSCZRGCXNHNZFT-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP CCC[NH+](C)CCC(=O)N(Cc1ccccc1)[C@@H]1CCC[N@@H+](CC)C1 ZINC001753361374 1440382906 /nfs/dbraw/zinc/38/29/06/1440382906.db2.gz DSCZRGCXNHNZFT-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001753438438 1440400801 /nfs/dbraw/zinc/40/08/01/1440400801.db2.gz ZJCYCHJOLMQEPX-AWTIPJNISA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001753438438 1440400802 /nfs/dbraw/zinc/40/08/02/1440400802.db2.gz ZJCYCHJOLMQEPX-AWTIPJNISA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001753438438 1440400803 /nfs/dbraw/zinc/40/08/03/1440400803.db2.gz ZJCYCHJOLMQEPX-AWTIPJNISA-N 2 1 335.536 3.138 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001753450199 1440405651 /nfs/dbraw/zinc/40/56/51/1440405651.db2.gz ODXJSPVULNPISS-UYAOXDASSA-N 2 1 343.515 3.156 20 0 EGADMP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001753461923 1440411294 /nfs/dbraw/zinc/41/12/94/1440411294.db2.gz OXODJTDHYYSJQC-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](CC)[NH2+]Cc2ccc(C)cc2)C1 ZINC001753485435 1440417617 /nfs/dbraw/zinc/41/76/17/1440417617.db2.gz XSTMSCSWBBXGLQ-VQTJNVASSA-N 2 1 345.531 3.101 20 0 EGADMP CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001753581366 1440440221 /nfs/dbraw/zinc/44/02/21/1440440221.db2.gz MPRKEFUKDWRPTM-GUDVDZBRSA-N 2 1 337.552 3.170 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001753586491 1440441357 /nfs/dbraw/zinc/44/13/57/1440441357.db2.gz QODXYUXNXWPADZ-KBAYOESNSA-N 2 1 346.519 3.186 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2F)CC1 ZINC001753586915 1440441589 /nfs/dbraw/zinc/44/15/89/1440441589.db2.gz GVEXNXXAEWGFOI-BRWVUGGUSA-N 2 1 349.494 3.246 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001753602006 1440446537 /nfs/dbraw/zinc/44/65/37/1440446537.db2.gz YDASFLYFVVBJGP-LXORQPIJSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)cc(C)c1 ZINC001753645036 1440455430 /nfs/dbraw/zinc/45/54/30/1440455430.db2.gz QSQRUHBLPIMSTN-AZUAARDMSA-N 2 1 345.531 3.020 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCCC2)CCCC1 ZINC001753661722 1440458924 /nfs/dbraw/zinc/45/89/24/1440458924.db2.gz SQUQZTHREXYTGB-SFHVURJKSA-N 2 1 335.536 3.070 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC2(C[NH+](CC(CC)CC)C2)CC1 ZINC001753677720 1440463744 /nfs/dbraw/zinc/46/37/44/1440463744.db2.gz UYXLLEPFTVYSTL-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP Cc1cccc(C[N@H+](C)CCC2CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001753821857 1440496437 /nfs/dbraw/zinc/49/64/37/1440496437.db2.gz UWSZCYNYUQYJDT-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP C[N@@H+](CCC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1)CC1CCCC1 ZINC001753823387 1440497304 /nfs/dbraw/zinc/49/73/04/1440497304.db2.gz GXSGYNWACPUSTB-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)CC1CCCC1 ZINC001753823387 1440497305 /nfs/dbraw/zinc/49/73/05/1440497305.db2.gz GXSGYNWACPUSTB-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)CC1CCCC1 ZINC001753823387 1440497306 /nfs/dbraw/zinc/49/73/06/1440497306.db2.gz GXSGYNWACPUSTB-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CN(CC[N@@H+](C)CCCC1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001753855861 1440508786 /nfs/dbraw/zinc/50/87/86/1440508786.db2.gz MDHGJXKCSBEHEM-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CC[NH+](C)CCCC1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001753855861 1440508787 /nfs/dbraw/zinc/50/87/87/1440508787.db2.gz MDHGJXKCSBEHEM-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CC[NH+](C)CCCC1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001753855861 1440508788 /nfs/dbraw/zinc/50/87/88/1440508788.db2.gz MDHGJXKCSBEHEM-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CC[N@@H+](C)C/C=C\c1ccccc1)C(=O)C[NH+](C)CC(C)(C)C ZINC001753863336 1440512736 /nfs/dbraw/zinc/51/27/36/1440512736.db2.gz UCYBWBLRSDMPRX-RAXLEYEMSA-N 2 1 345.531 3.068 20 0 EGADMP CN(CC[NH+](C)C/C=C\c1ccccc1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001753863336 1440512737 /nfs/dbraw/zinc/51/27/37/1440512737.db2.gz UCYBWBLRSDMPRX-RAXLEYEMSA-N 2 1 345.531 3.068 20 0 EGADMP CN(CC[NH+](C)C/C=C\c1ccccc1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001753863336 1440512738 /nfs/dbraw/zinc/51/27/38/1440512738.db2.gz UCYBWBLRSDMPRX-RAXLEYEMSA-N 2 1 345.531 3.068 20 0 EGADMP C[C@H](C(=O)N(C)CC[N@H+](C)[C@H](C)c1ccccc1)[NH+]1CCCCCC1 ZINC001753864626 1440513476 /nfs/dbraw/zinc/51/34/76/1440513476.db2.gz QZKMBPWFUMMXQQ-RTBURBONSA-N 2 1 345.531 3.402 20 0 EGADMP CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001754070812 1440538203 /nfs/dbraw/zinc/53/82/03/1440538203.db2.gz QEHWYCKGOUXOEW-HXUWFJFHSA-N 2 1 345.531 3.196 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C)c1 ZINC001754337688 1440587401 /nfs/dbraw/zinc/58/74/01/1440587401.db2.gz YKCFPDJIVVJMBP-ZWKOTPCHSA-N 2 1 333.520 3.141 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001754337688 1440587402 /nfs/dbraw/zinc/58/74/02/1440587402.db2.gz YKCFPDJIVVJMBP-ZWKOTPCHSA-N 2 1 333.520 3.141 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001754337688 1440587403 /nfs/dbraw/zinc/58/74/03/1440587403.db2.gz YKCFPDJIVVJMBP-ZWKOTPCHSA-N 2 1 333.520 3.141 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001754452635 1440601514 /nfs/dbraw/zinc/60/15/14/1440601514.db2.gz HAWCQOOUQKLIRC-MOPGFXCFSA-N 2 1 349.563 3.170 20 0 EGADMP CC(C)[C@@H](C(=O)N(C)C1C[NH+](CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001754587114 1440640019 /nfs/dbraw/zinc/64/00/19/1440640019.db2.gz CNEUHYMREMDYIB-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C[C@@H]1C ZINC001754604238 1440643034 /nfs/dbraw/zinc/64/30/34/1440643034.db2.gz VBQWODOASLKUNN-HKUYNNGSSA-N 2 1 335.536 3.186 20 0 EGADMP Cc1ccc(C[NH+]2CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC2)c(C)c1 ZINC001754630014 1440647454 /nfs/dbraw/zinc/64/74/54/1440647454.db2.gz RIUPOHWRCKQOST-UHFFFAOYSA-N 2 1 345.531 3.114 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001754679313 1440661504 /nfs/dbraw/zinc/66/15/04/1440661504.db2.gz PHMFKPWGNULOJD-AZUAARDMSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001754866957 1440703191 /nfs/dbraw/zinc/70/31/91/1440703191.db2.gz GCCXKXHTRYMPRD-MUGJNUQGSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001754866957 1440703192 /nfs/dbraw/zinc/70/31/92/1440703192.db2.gz GCCXKXHTRYMPRD-MUGJNUQGSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001754866957 1440703193 /nfs/dbraw/zinc/70/31/93/1440703193.db2.gz GCCXKXHTRYMPRD-MUGJNUQGSA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001754871827 1440705436 /nfs/dbraw/zinc/70/54/36/1440705436.db2.gz MTQVWDLHGIYTIQ-RTBURBONSA-N 2 1 335.536 3.118 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CCCC3)CC2)C1 ZINC001754956616 1440716589 /nfs/dbraw/zinc/71/65/89/1440716589.db2.gz WWRULWUUMJIJPF-IHPCNDPISA-N 2 1 349.563 3.173 20 0 EGADMP CN(CCC[N@@H+](C)CCCC1CCCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001755036412 1440734644 /nfs/dbraw/zinc/73/46/44/1440734644.db2.gz DEOWLTVJGOHEFA-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001755039232 1440736154 /nfs/dbraw/zinc/73/61/54/1440736154.db2.gz MAMIGVLOAQTJGU-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001755039232 1440736155 /nfs/dbraw/zinc/73/61/55/1440736155.db2.gz MAMIGVLOAQTJGU-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001755039232 1440736156 /nfs/dbraw/zinc/73/61/56/1440736156.db2.gz MAMIGVLOAQTJGU-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001755039234 1440736217 /nfs/dbraw/zinc/73/62/17/1440736217.db2.gz MAMIGVLOAQTJGU-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001755039234 1440736218 /nfs/dbraw/zinc/73/62/18/1440736218.db2.gz MAMIGVLOAQTJGU-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001755039234 1440736219 /nfs/dbraw/zinc/73/62/19/1440736219.db2.gz MAMIGVLOAQTJGU-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001755068633 1440745828 /nfs/dbraw/zinc/74/58/28/1440745828.db2.gz ANPIGHMGOKAPBS-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP CCC1([NH2+]CC2CCC2)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001755070175 1440746293 /nfs/dbraw/zinc/74/62/93/1440746293.db2.gz VZEOXDPOJQKIIJ-RBUKOAKNSA-N 2 1 347.547 3.164 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCc1ccc2c(c1)C[NH+](CC=C(C)C)C2 ZINC001755101639 1440752832 /nfs/dbraw/zinc/75/28/32/1440752832.db2.gz VQRMZJXLEHWWED-UHFFFAOYSA-N 2 1 343.515 3.317 20 0 EGADMP CCC[NH+](C)CCC(=O)NCc1ccc2c(c1)C[N@@H+](CC=C(C)C)C2 ZINC001755101639 1440752833 /nfs/dbraw/zinc/75/28/33/1440752833.db2.gz VQRMZJXLEHWWED-UHFFFAOYSA-N 2 1 343.515 3.317 20 0 EGADMP CCC[NH+](C)CCC(=O)NCc1ccc2c(c1)C[N@H+](CC=C(C)C)C2 ZINC001755101639 1440752834 /nfs/dbraw/zinc/75/28/34/1440752834.db2.gz VQRMZJXLEHWWED-UHFFFAOYSA-N 2 1 343.515 3.317 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC(C)([NH2+]Cc2ccc(C)cc2)CC1 ZINC001755135542 1440758111 /nfs/dbraw/zinc/75/81/11/1440758111.db2.gz TVKKSOYPUGJVDG-UHFFFAOYSA-N 2 1 345.531 3.198 20 0 EGADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)CC1(C)C ZINC001755141409 1440760592 /nfs/dbraw/zinc/76/05/92/1440760592.db2.gz GDDBYOOVYFTUMH-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)CC1(C)C ZINC001755141869 1440760814 /nfs/dbraw/zinc/76/08/14/1440760814.db2.gz KOBSECDDPJFXLE-MJGOQNOKSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)CC1(C)C ZINC001755141869 1440760815 /nfs/dbraw/zinc/76/08/15/1440760815.db2.gz KOBSECDDPJFXLE-MJGOQNOKSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)CC1(C)C ZINC001755141869 1440760816 /nfs/dbraw/zinc/76/08/16/1440760816.db2.gz KOBSECDDPJFXLE-MJGOQNOKSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001755142760 1440761635 /nfs/dbraw/zinc/76/16/35/1440761635.db2.gz FELDMLYQCAEVHM-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCc1ccc(C[NH+]2CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@@H]2C)cc1 ZINC001755167207 1440767545 /nfs/dbraw/zinc/76/75/45/1440767545.db2.gz LRDITSXRDUJUJC-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[N@H+]2CC[C@H](NC(=O)CC[NH+](C)CC)C[C@@H]2C)cc1 ZINC001755167207 1440767546 /nfs/dbraw/zinc/76/75/46/1440767546.db2.gz LRDITSXRDUJUJC-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)CC)C[C@@H]2C)cc1 ZINC001755167207 1440767547 /nfs/dbraw/zinc/76/75/47/1440767547.db2.gz LRDITSXRDUJUJC-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CC(C)CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001755175796 1440770728 /nfs/dbraw/zinc/77/07/28/1440770728.db2.gz HWWHYXWCPWHQBO-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](CC(C)C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001755183724 1440771967 /nfs/dbraw/zinc/77/19/67/1440771967.db2.gz PAFPVHPKYSUMAV-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC(C)C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001755183724 1440771968 /nfs/dbraw/zinc/77/19/68/1440771968.db2.gz PAFPVHPKYSUMAV-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC(C)C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001755183724 1440771969 /nfs/dbraw/zinc/77/19/69/1440771969.db2.gz PAFPVHPKYSUMAV-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+](CC1=CCCCC1)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001755184727 1440772766 /nfs/dbraw/zinc/77/27/66/1440772766.db2.gz DZNIQQKBOYORHT-UHFFFAOYSA-N 2 1 349.563 3.388 20 0 EGADMP CC[NH+](CC1=CCCCC1)CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001755184727 1440772767 /nfs/dbraw/zinc/77/27/67/1440772767.db2.gz DZNIQQKBOYORHT-UHFFFAOYSA-N 2 1 349.563 3.388 20 0 EGADMP CC[NH+](CC1=CCCCC1)CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001755184727 1440772768 /nfs/dbraw/zinc/77/27/68/1440772768.db2.gz DZNIQQKBOYORHT-UHFFFAOYSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001755204385 1440781781 /nfs/dbraw/zinc/78/17/81/1440781781.db2.gz JQHLBNSVPCQTGQ-MOPGFXCFSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001755204385 1440781782 /nfs/dbraw/zinc/78/17/82/1440781782.db2.gz JQHLBNSVPCQTGQ-MOPGFXCFSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001755204385 1440781783 /nfs/dbraw/zinc/78/17/83/1440781783.db2.gz JQHLBNSVPCQTGQ-MOPGFXCFSA-N 2 1 337.552 3.079 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001755262502 1440794874 /nfs/dbraw/zinc/79/48/74/1440794874.db2.gz KXVLYWHUBOQXSS-SJORKVTESA-N 2 1 341.499 3.164 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1=CCCCC1 ZINC001755287566 1440802501 /nfs/dbraw/zinc/80/25/01/1440802501.db2.gz FOMKFFCXBJEEMT-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001755300676 1440808358 /nfs/dbraw/zinc/80/83/58/1440808358.db2.gz VOQLZVQHVGAMMW-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755300676 1440808359 /nfs/dbraw/zinc/80/83/59/1440808359.db2.gz VOQLZVQHVGAMMW-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755300676 1440808360 /nfs/dbraw/zinc/80/83/60/1440808360.db2.gz VOQLZVQHVGAMMW-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001755327076 1440822302 /nfs/dbraw/zinc/82/23/02/1440822302.db2.gz DQUORGYYOKPHNW-SJORKVTESA-N 2 1 349.494 3.199 20 0 EGADMP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1F ZINC001755328044 1440822964 /nfs/dbraw/zinc/82/29/64/1440822964.db2.gz NLYHMTCWJUAGPN-QGZVFWFLSA-N 2 1 349.494 3.028 20 0 EGADMP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1F ZINC001755328044 1440822965 /nfs/dbraw/zinc/82/29/65/1440822965.db2.gz NLYHMTCWJUAGPN-QGZVFWFLSA-N 2 1 349.494 3.028 20 0 EGADMP CC(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001755366292 1440834550 /nfs/dbraw/zinc/83/45/50/1440834550.db2.gz OTNCXXYDVTXHAT-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001755376553 1440838237 /nfs/dbraw/zinc/83/82/37/1440838237.db2.gz FQXSWCFNTACHBN-WMZOPIPTSA-N 2 1 337.552 3.122 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]2C1 ZINC001755451129 1440853389 /nfs/dbraw/zinc/85/33/89/1440853389.db2.gz BFMVLXBJTPTNEH-XUVXKRRUSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001755452515 1440854142 /nfs/dbraw/zinc/85/41/42/1440854142.db2.gz JRTQMIWYELMUEW-IPMKNSEASA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccccc1F ZINC001755527189 1440866033 /nfs/dbraw/zinc/86/60/33/1440866033.db2.gz XIMPTUGBXOURBP-VQIMIIECSA-N 2 1 349.494 3.075 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001755531836 1440867742 /nfs/dbraw/zinc/86/77/42/1440867742.db2.gz CLRPGTQNZAADFL-MJGOQNOKSA-N 2 1 345.531 3.136 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@H+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001755535447 1440868973 /nfs/dbraw/zinc/86/89/73/1440868973.db2.gz JZPZMVUDYWNQCH-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001755535447 1440868974 /nfs/dbraw/zinc/86/89/74/1440868974.db2.gz JZPZMVUDYWNQCH-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001755563568 1440875066 /nfs/dbraw/zinc/87/50/66/1440875066.db2.gz BLELGNMSNACIEW-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001755612916 1440887760 /nfs/dbraw/zinc/88/77/60/1440887760.db2.gz RYKVKWVGEHOLML-QGZVFWFLSA-N 2 1 348.535 3.379 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)[C@H]1C ZINC001755662785 1440892934 /nfs/dbraw/zinc/89/29/34/1440892934.db2.gz HDMXEHLVXLGLBM-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[N@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC001755700009 1440899588 /nfs/dbraw/zinc/89/95/88/1440899588.db2.gz FLRNEVCFBKZGFR-AZUAARDMSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CC1CCCCC1)CC2 ZINC001755704924 1440902109 /nfs/dbraw/zinc/90/21/09/1440902109.db2.gz RWMDPECDRFDBNY-ICSRJNTNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@@H]1[N@H+](CC1CCCCC1)CC2 ZINC001755704924 1440902110 /nfs/dbraw/zinc/90/21/10/1440902110.db2.gz RWMDPECDRFDBNY-ICSRJNTNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC1CCCCC1)CC2 ZINC001755704924 1440902111 /nfs/dbraw/zinc/90/21/11/1440902111.db2.gz RWMDPECDRFDBNY-ICSRJNTNSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C(C)(C)C1 ZINC001755765507 1440916119 /nfs/dbraw/zinc/91/61/19/1440916119.db2.gz QRVBPPOIZDPJBT-CRAIPNDOSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)N(CC[N@@H+](C)C(C)C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001755810948 1440920310 /nfs/dbraw/zinc/92/03/10/1440920310.db2.gz RBXVXHKJKPXUAD-SFHVURJKSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)N(CC[NH+](C)C(C)C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755810948 1440920311 /nfs/dbraw/zinc/92/03/11/1440920311.db2.gz RBXVXHKJKPXUAD-SFHVURJKSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)N(CC[NH+](C)C(C)C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755810948 1440920312 /nfs/dbraw/zinc/92/03/12/1440920312.db2.gz RBXVXHKJKPXUAD-SFHVURJKSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001755825933 1440927278 /nfs/dbraw/zinc/92/72/78/1440927278.db2.gz XBKOGSOQNGJHDZ-RBUKOAKNSA-N 2 1 349.563 3.480 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H](C[NH2+]CCCF)C(C)(C)C ZINC001755827407 1440927714 /nfs/dbraw/zinc/92/77/14/1440927714.db2.gz LAQAMGYOBCRVBZ-INIZCTEOSA-N 2 1 343.531 3.120 20 0 EGADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368566810 168374001 /nfs/dbraw/zinc/37/40/01/168374001.db2.gz JZZBQJSFORKDAE-NTDBWNAOSA-N 2 1 332.488 3.074 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000268787562 282209919 /nfs/dbraw/zinc/20/99/19/282209919.db2.gz FDPUDZRPQNQHHE-HNNXBMFYSA-N 2 1 325.334 3.367 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@@H]1CC[NH+]2CCC[C@@H]2C1)C1CC1 ZINC000186877989 530000912 /nfs/dbraw/zinc/00/09/12/530000912.db2.gz PPVCHKPGAGCIEZ-NJDAHSKKSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+](Cc1ccccc1)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000186877989 530000913 /nfs/dbraw/zinc/00/09/13/530000913.db2.gz PPVCHKPGAGCIEZ-NJDAHSKKSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+](Cc1ccccc1)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000186877989 530000914 /nfs/dbraw/zinc/00/09/14/530000914.db2.gz PPVCHKPGAGCIEZ-NJDAHSKKSA-N 2 1 327.516 3.113 20 0 EGADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000186877989 530000915 /nfs/dbraw/zinc/00/09/15/530000915.db2.gz PPVCHKPGAGCIEZ-NJDAHSKKSA-N 2 1 327.516 3.113 20 0 EGADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000186877989 530000916 /nfs/dbraw/zinc/00/09/16/530000916.db2.gz PPVCHKPGAGCIEZ-NJDAHSKKSA-N 2 1 327.516 3.113 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000101726819 219159181 /nfs/dbraw/zinc/15/91/81/219159181.db2.gz XDWDRZFWTYIVCS-UHFFFAOYSA-N 2 1 331.504 3.459 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000178699923 232391865 /nfs/dbraw/zinc/39/18/65/232391865.db2.gz PWPNRYUFWFNYHH-CABCVRRESA-N 2 1 329.444 3.167 20 0 EGADMP CCCOc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)ccc1OC ZINC000105443668 219495807 /nfs/dbraw/zinc/49/58/07/219495807.db2.gz SXXSXLMDOFEKOW-OAHLLOKOSA-N 2 1 331.460 3.415 20 0 EGADMP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000356236556 299225275 /nfs/dbraw/zinc/22/52/75/299225275.db2.gz VGPWSTOVIYXIAW-VDGAXYAQSA-N 2 1 339.483 3.097 20 0 EGADMP CCC[N@@H+](CCOc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000037539065 213154600 /nfs/dbraw/zinc/15/46/00/213154600.db2.gz YKYDDXJTRGWWJD-UHFFFAOYSA-N 2 1 341.293 3.292 20 0 EGADMP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000187994107 236375103 /nfs/dbraw/zinc/37/51/03/236375103.db2.gz GCEKKLMIBNLNPS-NJDAHSKKSA-N 2 1 330.516 3.323 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000036999914 213130280 /nfs/dbraw/zinc/13/02/80/213130280.db2.gz MOOZKOWGVIDVJH-ZDUSSCGKSA-N 2 1 325.294 3.454 20 0 EGADMP COc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037408262 213145099 /nfs/dbraw/zinc/14/50/99/213145099.db2.gz CTDOFYTYWYQQCU-LBPRGKRZSA-N 2 1 339.277 3.032 20 0 EGADMP COc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408262 213145104 /nfs/dbraw/zinc/14/51/04/213145104.db2.gz CTDOFYTYWYQQCU-LBPRGKRZSA-N 2 1 339.277 3.032 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000072803494 216308096 /nfs/dbraw/zinc/30/80/96/216308096.db2.gz LBCKGIXWNXHTPU-KRWDZBQOSA-N 2 1 342.487 3.333 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000072803494 216308098 /nfs/dbraw/zinc/30/80/98/216308098.db2.gz LBCKGIXWNXHTPU-KRWDZBQOSA-N 2 1 342.487 3.333 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000132239411 223312797 /nfs/dbraw/zinc/31/27/97/223312797.db2.gz KUKMVYCYKNKYEG-RYUDHWBXSA-N 2 1 334.261 3.166 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000132239411 223312799 /nfs/dbraw/zinc/31/27/99/223312799.db2.gz KUKMVYCYKNKYEG-RYUDHWBXSA-N 2 1 334.261 3.166 20 0 EGADMP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000376320908 242063735 /nfs/dbraw/zinc/06/37/35/242063735.db2.gz XFSGQUITUPABOP-IWCQGFGOSA-N 2 1 344.421 3.188 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1)C(C)C ZINC000236995584 242442319 /nfs/dbraw/zinc/44/23/19/242442319.db2.gz XPOYUQLWDUUAIR-MOPGFXCFSA-N 2 1 331.504 3.164 20 0 EGADMP CCC[C@](C)([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000262697856 245127540 /nfs/dbraw/zinc/12/75/40/245127540.db2.gz FOLMZEKKPGVTOO-UZLBHIALSA-N 2 1 331.504 3.052 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000111386929 220149324 /nfs/dbraw/zinc/14/93/24/220149324.db2.gz HBLHUHRDHCNJPG-SFHVURJKSA-N 2 1 328.456 3.273 20 0 EGADMP Clc1cc2c(cc1C[N@@H+]1CCC[C@@H](n3ccnc3)C1)OCCO2 ZINC000377562297 169042466 /nfs/dbraw/zinc/04/24/66/169042466.db2.gz KLRYXLGPYHXAEZ-CQSZACIVSA-N 2 1 333.819 3.145 20 0 EGADMP Clc1cc2c(cc1C[N@H+]1CCC[C@@H](n3ccnc3)C1)OCCO2 ZINC000377562297 169042467 /nfs/dbraw/zinc/04/24/67/169042467.db2.gz KLRYXLGPYHXAEZ-CQSZACIVSA-N 2 1 333.819 3.145 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000091739235 218056074 /nfs/dbraw/zinc/05/60/74/218056074.db2.gz DZINLOALWJNYNF-HBUWYVDXSA-N 2 1 331.435 3.342 20 0 EGADMP CCOc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1OC(F)F ZINC000093089305 218193077 /nfs/dbraw/zinc/19/30/77/218193077.db2.gz SDZMEASXUHYJRN-UHFFFAOYSA-N 2 1 342.430 3.460 20 0 EGADMP CSc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1F ZINC000268839005 252287041 /nfs/dbraw/zinc/28/70/41/252287041.db2.gz MUAPAMAUROGXRM-CYBMUJFWSA-N 2 1 326.481 3.045 20 0 EGADMP Cc1noc(C)c1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268864826 252313226 /nfs/dbraw/zinc/31/32/26/252313226.db2.gz FEDSUHYHKKFPFR-DNVCBOLYSA-N 2 1 327.472 3.477 20 0 EGADMP Cc1noc(C)c1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268864826 252313228 /nfs/dbraw/zinc/31/32/28/252313228.db2.gz FEDSUHYHKKFPFR-DNVCBOLYSA-N 2 1 327.472 3.477 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cncs1 ZINC000153472070 224109818 /nfs/dbraw/zinc/10/98/18/224109818.db2.gz VOZGTKNDRZKUDX-GJZGRUSLSA-N 2 1 331.485 3.215 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cncs1 ZINC000153472070 224109821 /nfs/dbraw/zinc/10/98/21/224109821.db2.gz VOZGTKNDRZKUDX-GJZGRUSLSA-N 2 1 331.485 3.215 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc2ccccc2n1 ZINC000178470509 533339257 /nfs/dbraw/zinc/33/92/57/533339257.db2.gz QFJQWRNSVSFSTB-IAGOWNOFSA-N 2 1 339.483 3.386 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(N2CCCC2=O)c1 ZINC000246898721 141042574 /nfs/dbraw/zinc/04/25/74/141042574.db2.gz FDMJBLGVPDFWNE-CGTJXYLNSA-N 2 1 329.488 3.337 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2c1cnn2C ZINC000268863124 141059168 /nfs/dbraw/zinc/05/91/68/141059168.db2.gz ZJWRIRYCPKLOHD-UXPWSPDFSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2c1cnn2C ZINC000268863124 141059169 /nfs/dbraw/zinc/05/91/69/141059169.db2.gz ZJWRIRYCPKLOHD-UXPWSPDFSA-N 2 1 338.499 3.298 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC(F)(F)C(F)(F)F)C[C@@H]1C ZINC000346447443 141196665 /nfs/dbraw/zinc/19/66/65/141196665.db2.gz RBWJBJCJWABNFI-RYUDHWBXSA-N 2 1 332.357 3.005 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC(F)(F)C(F)(F)F)C[C@@H]1C ZINC000346447443 141196666 /nfs/dbraw/zinc/19/66/66/141196666.db2.gz RBWJBJCJWABNFI-RYUDHWBXSA-N 2 1 332.357 3.005 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000347918576 141216928 /nfs/dbraw/zinc/21/69/28/141216928.db2.gz BEJHZESYNSAVQL-LLVKDONJSA-N 2 1 343.397 3.308 20 0 EGADMP CCOC(=O)c1coc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000354578984 141309386 /nfs/dbraw/zinc/30/93/86/141309386.db2.gz AKHFRONQDJCHIG-UHFFFAOYSA-N 2 1 342.439 3.342 20 0 EGADMP C[NH+](C)CCC1CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000172190177 144016676 /nfs/dbraw/zinc/01/66/76/144016676.db2.gz SZSAMASIYNQFAY-UHFFFAOYSA-N 2 1 326.282 3.008 20 0 EGADMP COc1c(Br)cccc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000187281825 144156050 /nfs/dbraw/zinc/15/60/50/144156050.db2.gz AGTGYILEGVXBKH-KGLIPLIRSA-N 2 1 341.293 3.420 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CC[N@H+]1C ZINC000344626914 144201636 /nfs/dbraw/zinc/20/16/36/144201636.db2.gz LOULHSFOQWMYJJ-WMZOPIPTSA-N 2 1 325.456 3.233 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCCC[C@@H](COC)C2)CC1 ZINC000344883497 144236433 /nfs/dbraw/zinc/23/64/33/144236433.db2.gz CXAOEUKFOFOWMR-LJQANCHMSA-N 2 1 345.531 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000341391990 155265501 /nfs/dbraw/zinc/26/55/01/155265501.db2.gz JWKGDXPQNRAAQM-YLJYHZDGSA-N 2 1 343.515 3.203 20 0 EGADMP CC(C)[NH+](CCCNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)C(C)C ZINC000072518290 307379649 /nfs/dbraw/zinc/37/96/49/307379649.db2.gz CRJISBIFONTJER-GOSISDBHSA-N 2 1 340.556 3.011 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)[C@H](C)C1 ZINC000115628599 152021865 /nfs/dbraw/zinc/02/18/65/152021865.db2.gz VIBQFZRPCDNRIF-VQIMIIECSA-N 2 1 329.488 3.395 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000192136469 153245653 /nfs/dbraw/zinc/24/56/53/153245653.db2.gz GDBILUFBGZNGLM-SFHVURJKSA-N 3 1 349.482 3.369 20 0 EGADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1OC ZINC000192922201 153266671 /nfs/dbraw/zinc/26/66/71/153266671.db2.gz QVCCYEBFBOEKII-SFHVURJKSA-N 2 1 340.467 3.316 20 0 EGADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1OC ZINC000192922201 153266679 /nfs/dbraw/zinc/26/66/79/153266679.db2.gz QVCCYEBFBOEKII-SFHVURJKSA-N 2 1 340.467 3.316 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1 ZINC000192925919 153268887 /nfs/dbraw/zinc/26/88/87/153268887.db2.gz NTYQBOULXNKTJV-SFHVURJKSA-N 2 1 340.467 3.316 20 0 EGADMP Cc1nn(C)c(C)c1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000310081223 154139700 /nfs/dbraw/zinc/13/97/00/154139700.db2.gz JJJVCTZYNVFDDB-FQEVSTJZSA-N 2 1 326.488 3.039 20 0 EGADMP Cc1nn(C)c(C)c1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000310081223 154139703 /nfs/dbraw/zinc/13/97/03/154139703.db2.gz JJJVCTZYNVFDDB-FQEVSTJZSA-N 2 1 326.488 3.039 20 0 EGADMP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000310443200 154142398 /nfs/dbraw/zinc/14/23/98/154142398.db2.gz WINRCUHTKPHJSG-IBGZPJMESA-N 2 1 326.488 3.120 20 0 EGADMP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000310443200 154142402 /nfs/dbraw/zinc/14/24/02/154142402.db2.gz WINRCUHTKPHJSG-IBGZPJMESA-N 2 1 326.488 3.120 20 0 EGADMP OCc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000310955930 154144059 /nfs/dbraw/zinc/14/40/59/154144059.db2.gz ZRTUBRKAESPOKJ-VXKWHMMOSA-N 2 1 336.479 3.133 20 0 EGADMP OCc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000310955930 154144064 /nfs/dbraw/zinc/14/40/64/154144064.db2.gz ZRTUBRKAESPOKJ-VXKWHMMOSA-N 2 1 336.479 3.133 20 0 EGADMP OCc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000310955930 154144066 /nfs/dbraw/zinc/14/40/66/154144066.db2.gz ZRTUBRKAESPOKJ-VXKWHMMOSA-N 2 1 336.479 3.133 20 0 EGADMP OCc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000310955926 154144871 /nfs/dbraw/zinc/14/48/71/154144871.db2.gz ZRTUBRKAESPOKJ-FCHUYYIVSA-N 2 1 336.479 3.133 20 0 EGADMP OCc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000310955926 154144873 /nfs/dbraw/zinc/14/48/73/154144873.db2.gz ZRTUBRKAESPOKJ-FCHUYYIVSA-N 2 1 336.479 3.133 20 0 EGADMP OCc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000310955926 154144876 /nfs/dbraw/zinc/14/48/76/154144876.db2.gz ZRTUBRKAESPOKJ-FCHUYYIVSA-N 2 1 336.479 3.133 20 0 EGADMP FC(F)(F)OCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000336655116 154210307 /nfs/dbraw/zinc/21/03/07/154210307.db2.gz FNNLOKXFDBXKDA-OWCLPIDISA-N 2 1 328.378 3.023 20 0 EGADMP [NH3+]CCCOC1CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000336877925 154227831 /nfs/dbraw/zinc/22/78/31/154227831.db2.gz ZHMPTLNLRNCITA-UHFFFAOYSA-N 2 1 349.862 3.325 20 0 EGADMP CCC1(CC)C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CCS1 ZINC000337311276 154275883 /nfs/dbraw/zinc/27/58/83/154275883.db2.gz CDAKEUYEXDOEQR-UHFFFAOYSA-N 2 1 327.582 3.010 20 0 EGADMP C[C@@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCC[N@H+]1C ZINC000346803572 156139761 /nfs/dbraw/zinc/13/97/61/156139761.db2.gz FZWOGWWEHQCTNE-FWZVCBSNSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC[NH+]1C ZINC000346803572 156139763 /nfs/dbraw/zinc/13/97/63/156139763.db2.gz FZWOGWWEHQCTNE-FWZVCBSNSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC[NH+]1C ZINC000346803572 156139766 /nfs/dbraw/zinc/13/97/66/156139766.db2.gz FZWOGWWEHQCTNE-FWZVCBSNSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCN1C ZINC000346803572 156139768 /nfs/dbraw/zinc/13/97/68/156139768.db2.gz FZWOGWWEHQCTNE-FWZVCBSNSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCN1C ZINC000346803572 156139771 /nfs/dbraw/zinc/13/97/71/156139771.db2.gz FZWOGWWEHQCTNE-FWZVCBSNSA-N 2 1 327.516 3.254 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346816667 156147964 /nfs/dbraw/zinc/14/79/64/156147964.db2.gz FAQWFBWLOHARCS-RYGJVYDSSA-N 2 1 342.462 3.187 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3F)C[C@H]21 ZINC000346821614 156153161 /nfs/dbraw/zinc/15/31/61/156153161.db2.gz IZLYCRMUTKPLFS-ILZDJORESA-N 2 1 325.431 3.447 20 0 EGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OCC ZINC000346838925 156161401 /nfs/dbraw/zinc/16/14/01/156161401.db2.gz XWTXIILRHUTFLM-BZSNNMDCSA-N 2 1 332.488 3.433 20 0 EGADMP CCCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346849016 156163410 /nfs/dbraw/zinc/16/34/10/156163410.db2.gz GFHOXCSVAYFJQC-KSZLIROESA-N 2 1 332.488 3.433 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000349117072 156358906 /nfs/dbraw/zinc/35/89/06/156358906.db2.gz JJYFXEQOVBJBGL-IBGZPJMESA-N 2 1 331.504 3.019 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1)C1CC1 ZINC000114376868 162229851 /nfs/dbraw/zinc/22/98/51/162229851.db2.gz PYEYWZMIXSHGQZ-FQEVSTJZSA-N 2 1 345.531 3.377 20 0 EGADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cccs1 ZINC000248608986 163019899 /nfs/dbraw/zinc/01/98/99/163019899.db2.gz XDHQEPJDWJQSGT-JYJNAYRXSA-N 2 1 349.544 3.168 20 0 EGADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cccs1 ZINC000248608986 163019902 /nfs/dbraw/zinc/01/99/02/163019902.db2.gz XDHQEPJDWJQSGT-JYJNAYRXSA-N 2 1 349.544 3.168 20 0 EGADMP Cc1cncc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000248689757 163028071 /nfs/dbraw/zinc/02/80/71/163028071.db2.gz ALDAYYFXJPBEDL-UTKZUKDTSA-N 2 1 339.483 3.198 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CC1 ZINC000248877731 163041042 /nfs/dbraw/zinc/04/10/42/163041042.db2.gz JUYCMHHWURLCDW-OTYNDTSQSA-N 2 1 327.516 3.112 20 0 EGADMP C[NH+](Cc1ccccc1)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000248877731 163041045 /nfs/dbraw/zinc/04/10/45/163041045.db2.gz JUYCMHHWURLCDW-OTYNDTSQSA-N 2 1 327.516 3.112 20 0 EGADMP C[NH+](Cc1ccccc1)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000248877731 163041046 /nfs/dbraw/zinc/04/10/46/163041046.db2.gz JUYCMHHWURLCDW-OTYNDTSQSA-N 2 1 327.516 3.112 20 0 EGADMP CN(Cc1ccccc1)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000248877731 163041049 /nfs/dbraw/zinc/04/10/49/163041049.db2.gz JUYCMHHWURLCDW-OTYNDTSQSA-N 2 1 327.516 3.112 20 0 EGADMP CN(Cc1ccccc1)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000248877731 163041050 /nfs/dbraw/zinc/04/10/50/163041050.db2.gz JUYCMHHWURLCDW-OTYNDTSQSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[C@H](NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC[N@H+]1C ZINC000248926784 163047001 /nfs/dbraw/zinc/04/70/01/163047001.db2.gz GAQWAEWRBQVARI-KBRIMQKVSA-N 2 1 343.437 3.380 20 0 EGADMP C[C@H](C[C@H](O)c1ccco1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000305737718 163080319 /nfs/dbraw/zinc/08/03/19/163080319.db2.gz MMXOHDYKBIGFQP-APWZRJJASA-N 2 1 328.456 3.346 20 0 EGADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000338283588 163204547 /nfs/dbraw/zinc/20/45/47/163204547.db2.gz REFQUUZCYRVHMJ-SFHVURJKSA-N 2 1 349.494 3.057 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+](CC)C(C)C)cc1)C1CC1 ZINC000338767544 163343044 /nfs/dbraw/zinc/34/30/44/163343044.db2.gz PWJSYXJCRHKCGG-UHFFFAOYSA-N 2 1 331.504 3.131 20 0 EGADMP CC[NH+](CCNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1)C(C)C ZINC000338767544 163343048 /nfs/dbraw/zinc/34/30/48/163343048.db2.gz PWJSYXJCRHKCGG-UHFFFAOYSA-N 2 1 331.504 3.131 20 0 EGADMP CC[NH+](CCNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1)C(C)C ZINC000338767544 163343051 /nfs/dbraw/zinc/34/30/51/163343051.db2.gz PWJSYXJCRHKCGG-UHFFFAOYSA-N 2 1 331.504 3.131 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC000343761879 164029295 /nfs/dbraw/zinc/02/92/95/164029295.db2.gz ILZUGPYBWZIAOK-PXNSSMCTSA-N 2 1 327.516 3.428 20 0 EGADMP CC(C)(C)[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000343806808 164039509 /nfs/dbraw/zinc/03/95/09/164039509.db2.gz FHJRDXAQAWQWEC-CTNGQTDRSA-N 2 1 330.516 3.382 20 0 EGADMP CC(C)(C)[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000343806808 164039511 /nfs/dbraw/zinc/03/95/11/164039511.db2.gz FHJRDXAQAWQWEC-CTNGQTDRSA-N 2 1 330.516 3.382 20 0 EGADMP COc1cc([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)ccc1F ZINC000343984124 164077045 /nfs/dbraw/zinc/07/70/45/164077045.db2.gz LXNXKOMHTJMVQM-AWEZNQCLSA-N 2 1 347.434 3.021 20 0 EGADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(C(F)F)cc1 ZINC000344138403 164112705 /nfs/dbraw/zinc/11/27/05/164112705.db2.gz XXXSAHDSAGZIHO-UHFFFAOYSA-N 2 1 339.474 3.474 20 0 EGADMP COCc1nc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000354900246 166059382 /nfs/dbraw/zinc/05/93/82/166059382.db2.gz QCLVHJHVGLYCEA-UHFFFAOYSA-N 2 1 346.500 3.033 20 0 EGADMP COCc1nc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000354900246 166059383 /nfs/dbraw/zinc/05/93/83/166059383.db2.gz QCLVHJHVGLYCEA-UHFFFAOYSA-N 2 1 346.500 3.033 20 0 EGADMP C[N@H+](Cc1ccncc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354901174 166059427 /nfs/dbraw/zinc/05/94/27/166059427.db2.gz QZSFSUFHMNIIMA-UHFFFAOYSA-N 2 1 330.863 3.478 20 0 EGADMP CC[C@H]1C[C@@H](C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000350263734 165024118 /nfs/dbraw/zinc/02/41/18/165024118.db2.gz JUUUMNSIOORRJE-ICSRJNTNSA-N 2 1 331.504 3.435 20 0 EGADMP Cc1[nH]nc2ncc(C[NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000352075686 165221963 /nfs/dbraw/zinc/22/19/63/165221963.db2.gz FILZMGXZRLZOLF-KXBFYZLASA-N 2 1 349.482 3.267 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH+]1CCC(C)(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000352365023 165365798 /nfs/dbraw/zinc/36/57/98/165365798.db2.gz LXTYHQUCBFICPI-GOSISDBHSA-N 2 1 336.907 3.149 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C)(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000352365023 165365800 /nfs/dbraw/zinc/36/58/00/165365800.db2.gz LXTYHQUCBFICPI-GOSISDBHSA-N 2 1 336.907 3.149 20 0 EGADMP COc1cccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000355225001 166139561 /nfs/dbraw/zinc/13/95/61/166139561.db2.gz RDNIBDMQLDTFAQ-HKUYNNGSSA-N 2 1 339.483 3.133 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000355661099 166277267 /nfs/dbraw/zinc/27/72/67/166277267.db2.gz RHLPNRCJTMXWBU-NUJGCVRESA-N 2 1 331.504 3.105 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000355912246 166345342 /nfs/dbraw/zinc/34/53/42/166345342.db2.gz FENCXZLHTBBTHG-CQSZACIVSA-N 2 1 338.521 3.015 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000355912246 166345343 /nfs/dbraw/zinc/34/53/43/166345343.db2.gz FENCXZLHTBBTHG-CQSZACIVSA-N 2 1 338.521 3.015 20 0 EGADMP Cc1cc2[nH]c(C[NH2+]CCCC[N@H+]3CCC[C@H]3CO)cc2c(C)c1 ZINC000358954700 167018018 /nfs/dbraw/zinc/01/80/18/167018018.db2.gz PQDPVYJAELBNHU-SFHVURJKSA-N 2 1 329.488 3.111 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359229758 167102696 /nfs/dbraw/zinc/10/26/96/167102696.db2.gz ZDPZUJNQKWBUCH-UHFFFAOYSA-N 3 1 329.532 3.220 20 0 EGADMP C[C@H](NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000359279662 167114337 /nfs/dbraw/zinc/11/43/37/167114337.db2.gz PFFGYBUSXXJPGW-BBRMVZONSA-N 2 1 339.911 3.035 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N(C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000359505391 167174923 /nfs/dbraw/zinc/17/49/23/167174923.db2.gz AUYJDTUGJQJSKH-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000359505391 167174925 /nfs/dbraw/zinc/17/49/25/167174925.db2.gz AUYJDTUGJQJSKH-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000359505391 167174926 /nfs/dbraw/zinc/17/49/26/167174926.db2.gz AUYJDTUGJQJSKH-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP Cc1ncc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)n1-c1ccccc1 ZINC000366954332 168161087 /nfs/dbraw/zinc/16/10/87/168161087.db2.gz PJGRAQMNFODNRD-UHFFFAOYSA-N 2 1 338.499 3.489 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000367123416 168180971 /nfs/dbraw/zinc/18/09/71/168180971.db2.gz RBGKADKUTMEVRM-LJQANCHMSA-N 2 1 326.488 3.224 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c(-c2ccnn2C)c1 ZINC000367341885 168211342 /nfs/dbraw/zinc/21/13/42/168211342.db2.gz IDMMECRDMYGIHY-QGZVFWFLSA-N 2 1 335.455 3.498 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC000072959912 287275750 /nfs/dbraw/zinc/27/57/50/287275750.db2.gz AWBKLRYEJCPTBX-QGZVFWFLSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262243496 287276314 /nfs/dbraw/zinc/27/63/14/287276314.db2.gz BZGGJRBUNWLRQW-UWVAXJGDSA-N 2 1 343.515 3.195 20 0 EGADMP CCn1cc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cn1 ZINC000162758242 225867073 /nfs/dbraw/zinc/86/70/73/225867073.db2.gz BFKHCXMPMVGMHW-HNNXBMFYSA-N 2 1 345.491 3.071 20 0 EGADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000122969385 222193456 /nfs/dbraw/zinc/19/34/56/222193456.db2.gz LCNNGBFYYXTAJO-HNNXBMFYSA-N 2 1 338.517 3.005 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000177489022 265256348 /nfs/dbraw/zinc/25/63/48/265256348.db2.gz KPGLDIBEPQXZCL-BBWFWOEESA-N 2 1 339.524 3.096 20 0 EGADMP CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224563270 266198094 /nfs/dbraw/zinc/19/80/94/266198094.db2.gz ORJWBAMMSZOZRA-HRCADAONSA-N 2 1 327.513 3.142 20 0 EGADMP CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224563270 266198097 /nfs/dbraw/zinc/19/80/97/266198097.db2.gz ORJWBAMMSZOZRA-HRCADAONSA-N 2 1 327.513 3.142 20 0 EGADMP CCC[N@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000274897813 267303462 /nfs/dbraw/zinc/30/34/62/267303462.db2.gz KQQABFMRNGHCOO-CEWLAPEOSA-N 2 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CC[C@H](CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000274897813 267303466 /nfs/dbraw/zinc/30/34/66/267303466.db2.gz KQQABFMRNGHCOO-CEWLAPEOSA-N 2 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CC[C@H](CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000274897813 267303470 /nfs/dbraw/zinc/30/34/70/267303470.db2.gz KQQABFMRNGHCOO-CEWLAPEOSA-N 2 1 329.532 3.219 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000274897813 267303472 /nfs/dbraw/zinc/30/34/72/267303472.db2.gz KQQABFMRNGHCOO-CEWLAPEOSA-N 3 1 329.532 3.219 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000274897813 267303474 /nfs/dbraw/zinc/30/34/74/267303474.db2.gz KQQABFMRNGHCOO-CEWLAPEOSA-N 3 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000274897813 267303479 /nfs/dbraw/zinc/30/34/79/267303479.db2.gz KQQABFMRNGHCOO-CEWLAPEOSA-N 3 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000274897813 267303482 /nfs/dbraw/zinc/30/34/82/267303482.db2.gz KQQABFMRNGHCOO-CEWLAPEOSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]([NH2+]CCCNc1ccccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274974821 267313339 /nfs/dbraw/zinc/31/33/39/267313339.db2.gz YLMHNZOONYRMJL-QUCCMNQESA-N 2 1 338.499 3.384 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cncc(F)c1 ZINC000275129728 267321612 /nfs/dbraw/zinc/32/16/12/267321612.db2.gz LQNOEFWYGDZYOU-UHFFFAOYSA-N 2 1 328.435 3.354 20 0 EGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278412987 268007289 /nfs/dbraw/zinc/00/72/89/268007289.db2.gz FNHRRCBEIDRWPO-KZNAEPCWSA-N 2 1 334.504 3.278 20 0 EGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278412987 268007291 /nfs/dbraw/zinc/00/72/91/268007291.db2.gz FNHRRCBEIDRWPO-KZNAEPCWSA-N 2 1 334.504 3.278 20 0 EGADMP C[NH+](C)C1(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CCCC1 ZINC000359631130 273791330 /nfs/dbraw/zinc/79/13/30/273791330.db2.gz IZKZDIKNRFFBAX-UHFFFAOYSA-N 2 1 341.499 3.283 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)C[NH+]1CCCC1 ZINC000305121061 275058079 /nfs/dbraw/zinc/05/80/79/275058079.db2.gz JOLZDCHSBHIBOL-IAQYHMDHSA-N 2 1 329.271 3.027 20 0 EGADMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OC(F)F ZINC000275013152 275249314 /nfs/dbraw/zinc/24/93/14/275249314.db2.gz KFLVWGQVUPRVJO-OCCSQVGLSA-N 2 1 328.403 3.069 20 0 EGADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OC(F)F ZINC000275013152 275249316 /nfs/dbraw/zinc/24/93/16/275249316.db2.gz KFLVWGQVUPRVJO-OCCSQVGLSA-N 2 1 328.403 3.069 20 0 EGADMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1OC(F)F ZINC000275013152 275249317 /nfs/dbraw/zinc/24/93/17/275249317.db2.gz KFLVWGQVUPRVJO-OCCSQVGLSA-N 2 1 328.403 3.069 20 0 EGADMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC(F)F ZINC000275013152 275249319 /nfs/dbraw/zinc/24/93/19/275249319.db2.gz KFLVWGQVUPRVJO-OCCSQVGLSA-N 2 1 328.403 3.069 20 0 EGADMP COC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[C@@H]1CCCO1 ZINC000278647385 275262084 /nfs/dbraw/zinc/26/20/84/275262084.db2.gz DSAQZHPJVNQMND-JVPBZIDWSA-N 2 1 329.444 3.025 20 0 EGADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000279045743 275298916 /nfs/dbraw/zinc/29/89/16/275298916.db2.gz XOOJKBKGIIGPLR-OLZOCXBDSA-N 2 1 349.862 3.467 20 0 EGADMP CC1(C)[C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C[C@H]1Oc1ccccc1 ZINC000284185258 275780457 /nfs/dbraw/zinc/78/04/57/275780457.db2.gz FYEBMXXXLIQDFH-KBAYOESNSA-N 2 1 325.456 3.281 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000151135378 276014157 /nfs/dbraw/zinc/01/41/57/276014157.db2.gz CLAQEGPDXGTZNC-ZGGTZUKQSA-N 2 1 341.499 3.141 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338945520 276074788 /nfs/dbraw/zinc/07/47/88/276074788.db2.gz RVWKESSTTLASLO-QGZVFWFLSA-N 2 1 326.488 3.169 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338945520 276074789 /nfs/dbraw/zinc/07/47/89/276074789.db2.gz RVWKESSTTLASLO-QGZVFWFLSA-N 2 1 326.488 3.169 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338945520 276074790 /nfs/dbraw/zinc/07/47/90/276074790.db2.gz RVWKESSTTLASLO-QGZVFWFLSA-N 2 1 326.488 3.169 20 0 EGADMP COc1nc(C)cc(C)c1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000287572830 276135076 /nfs/dbraw/zinc/13/50/76/276135076.db2.gz BUBZQPOTJPAOHC-SJORKVTESA-N 2 1 331.504 3.450 20 0 EGADMP COc1nc(C)cc(C)c1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000287572830 276135078 /nfs/dbraw/zinc/13/50/78/276135078.db2.gz BUBZQPOTJPAOHC-SJORKVTESA-N 2 1 331.504 3.450 20 0 EGADMP C[N@@H+](CCC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000287631248 276142074 /nfs/dbraw/zinc/14/20/74/276142074.db2.gz KJFGSZVRIPDVSI-HZPDHXFCSA-N 2 1 330.394 3.208 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000154476270 276194814 /nfs/dbraw/zinc/19/48/14/276194814.db2.gz VJCTUWNBRBHTMR-GOSISDBHSA-N 2 1 333.520 3.300 20 0 EGADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000367816334 276275300 /nfs/dbraw/zinc/27/53/00/276275300.db2.gz SPHXPDSXENYDTG-WMZOPIPTSA-N 2 1 336.520 3.305 20 0 EGADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000367816334 276275301 /nfs/dbraw/zinc/27/53/01/276275301.db2.gz SPHXPDSXENYDTG-WMZOPIPTSA-N 2 1 336.520 3.305 20 0 EGADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000367816334 276275302 /nfs/dbraw/zinc/27/53/02/276275302.db2.gz SPHXPDSXENYDTG-WMZOPIPTSA-N 2 1 336.520 3.305 20 0 EGADMP CCCn1nc(C)c(C[N@@H+](C)CCCN(C)Cc2ccco2)c1C ZINC000289145632 276296565 /nfs/dbraw/zinc/29/65/65/276296565.db2.gz AQTOKCBOCAHJNN-UHFFFAOYSA-N 2 1 332.492 3.457 20 0 EGADMP CCCn1nc(C)c(CN(C)CCC[N@H+](C)Cc2ccco2)c1C ZINC000289145632 276296566 /nfs/dbraw/zinc/29/65/66/276296566.db2.gz AQTOKCBOCAHJNN-UHFFFAOYSA-N 2 1 332.492 3.457 20 0 EGADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000369951942 276298315 /nfs/dbraw/zinc/29/83/15/276298315.db2.gz QIPYYABODWZEMV-YLJYHZDGSA-N 2 1 343.515 3.012 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C12CCC2 ZINC000344087082 276344946 /nfs/dbraw/zinc/34/49/46/276344946.db2.gz MIBKDMMGNCLFQX-WOJBJXKFSA-N 2 1 328.500 3.372 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C12CCC2 ZINC000344087082 276344947 /nfs/dbraw/zinc/34/49/47/276344947.db2.gz MIBKDMMGNCLFQX-WOJBJXKFSA-N 2 1 328.500 3.372 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Br)nc1 ZINC000289803364 276397739 /nfs/dbraw/zinc/39/77/39/276397739.db2.gz PAUBBBYWAZNLGY-GFCCVEGCSA-N 2 1 338.293 3.369 20 0 EGADMP CC(C)O[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1(C)C ZINC000185240848 277693356 /nfs/dbraw/zinc/69/33/56/277693356.db2.gz KHKJHDRGCJMADV-ZWKOTPCHSA-N 2 1 338.536 3.203 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c2ccccc2C1 ZINC000361052200 278055993 /nfs/dbraw/zinc/05/59/93/278055993.db2.gz MHYQASXECDQRGA-RXVVDRJESA-N 2 1 343.515 3.190 20 0 EGADMP CC1CC[NH+](CCC[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000339988323 278540225 /nfs/dbraw/zinc/54/02/25/278540225.db2.gz JTJFBBLKLVUCID-LJQANCHMSA-N 2 1 345.531 3.123 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000246883572 279044742 /nfs/dbraw/zinc/04/47/42/279044742.db2.gz WPXWXMKJFHCPHG-ICSRJNTNSA-N 2 1 343.515 3.014 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373517978 288102666 /nfs/dbraw/zinc/10/26/66/288102666.db2.gz FKCXTDCYWDASPV-WYEXVOONSA-N 2 1 347.469 3.110 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373517978 288102667 /nfs/dbraw/zinc/10/26/67/288102667.db2.gz FKCXTDCYWDASPV-WYEXVOONSA-N 2 1 347.469 3.110 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373517978 288102669 /nfs/dbraw/zinc/10/26/69/288102669.db2.gz FKCXTDCYWDASPV-WYEXVOONSA-N 2 1 347.469 3.110 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)N1CCC(C)CC1 ZINC000360955558 279122924 /nfs/dbraw/zinc/12/29/24/279122924.db2.gz JKWMOWLNMQIARP-GBESFXJTSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000353513270 279272924 /nfs/dbraw/zinc/27/29/24/279272924.db2.gz FIIJEZXVHOOTDE-QAPCUYQASA-N 2 1 340.458 3.112 20 0 EGADMP O=C1Nc2ccccc2[C@H]1C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000372469245 280304642 /nfs/dbraw/zinc/30/46/42/280304642.db2.gz UFHSXMBAWKATGO-HXUWFJFHSA-N 2 1 341.499 3.310 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358264093 280327216 /nfs/dbraw/zinc/32/72/16/280327216.db2.gz YIANJVZYGUYDEQ-JKSUJKDBSA-N 2 1 330.394 3.059 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358264093 280327219 /nfs/dbraw/zinc/32/72/19/280327219.db2.gz YIANJVZYGUYDEQ-JKSUJKDBSA-N 2 1 330.394 3.059 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000347528872 290391588 /nfs/dbraw/zinc/39/15/88/290391588.db2.gz TWXFXWQLOPRSMT-DLBZAZTESA-N 2 1 341.499 3.016 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)CCC)CC1 ZINC000066960703 307363976 /nfs/dbraw/zinc/36/39/76/307363976.db2.gz VENLDGPXRKSFSS-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)CCC)CC1 ZINC000066960702 307364175 /nfs/dbraw/zinc/36/41/75/307364175.db2.gz VENLDGPXRKSFSS-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)(C)O[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1(C)C ZINC000414067268 309058804 /nfs/dbraw/zinc/05/88/04/309058804.db2.gz AFGORJKYVGYRCX-IRXDYDNUSA-N 2 1 338.536 3.203 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414124771 309062378 /nfs/dbraw/zinc/06/23/78/309062378.db2.gz CLNACVNBWPBFNJ-YLJYHZDGSA-N 2 1 339.483 3.133 20 0 EGADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000414173801 309064773 /nfs/dbraw/zinc/06/47/73/309064773.db2.gz GDXVKLNHNCWGDA-QUCCMNQESA-N 2 1 341.503 3.039 20 0 EGADMP COC1([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000414308464 309071901 /nfs/dbraw/zinc/07/19/01/309071901.db2.gz QHTIIYICFRUHGV-FRYIKTPZSA-N 2 1 328.500 3.444 20 0 EGADMP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000414350964 309074489 /nfs/dbraw/zinc/07/44/89/309074489.db2.gz MKFTYSAHZBSYKT-CQSZACIVSA-N 2 1 329.463 3.465 20 0 EGADMP COc1ccsc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248648988 308008632 /nfs/dbraw/zinc/00/86/32/308008632.db2.gz VDXWFRSXFWLYPD-WMLDXEAASA-N 2 1 346.496 3.174 20 0 EGADMP C[C@H](c1cccc(F)c1)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000250287133 308029741 /nfs/dbraw/zinc/02/97/41/308029741.db2.gz LZJXIPRFKCIACU-OKZBNKHCSA-N 2 1 333.495 3.377 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)CC[N@H+]1C ZINC000252204084 308032261 /nfs/dbraw/zinc/03/22/61/308032261.db2.gz WVQFYRVXITWAGV-DQYPLSBCSA-N 2 1 337.305 3.379 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)CC[N@@H+]1C ZINC000252204084 308032260 /nfs/dbraw/zinc/03/22/60/308032260.db2.gz WVQFYRVXITWAGV-DQYPLSBCSA-N 2 1 337.305 3.379 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000292828991 308070255 /nfs/dbraw/zinc/07/02/55/308070255.db2.gz UACWATXKJKEMHE-OAHLLOKOSA-N 2 1 342.443 3.279 20 0 EGADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292881139 308075721 /nfs/dbraw/zinc/07/57/21/308075721.db2.gz DYAOCFKNHXNMAB-RDTXWAMCSA-N 2 1 335.879 3.085 20 0 EGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCc3nc(-c4ccccc4)no3)C2)C1 ZINC000292966658 308084942 /nfs/dbraw/zinc/08/49/42/308084942.db2.gz LWJGAMKUPFZZPB-HXUWFJFHSA-N 2 1 340.471 3.087 20 0 EGADMP CCOCc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1OC ZINC000293748084 308158371 /nfs/dbraw/zinc/15/83/71/308158371.db2.gz WOCDLRXCZMMJGJ-HXUWFJFHSA-N 2 1 332.488 3.149 20 0 EGADMP CCOCc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1OC ZINC000293748084 308158369 /nfs/dbraw/zinc/15/83/69/308158369.db2.gz WOCDLRXCZMMJGJ-HXUWFJFHSA-N 2 1 332.488 3.149 20 0 EGADMP CCOCc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1OC ZINC000293748084 308158370 /nfs/dbraw/zinc/15/83/70/308158370.db2.gz WOCDLRXCZMMJGJ-HXUWFJFHSA-N 2 1 332.488 3.149 20 0 EGADMP CCOCc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1OC ZINC000293748084 308158372 /nfs/dbraw/zinc/15/83/72/308158372.db2.gz WOCDLRXCZMMJGJ-HXUWFJFHSA-N 2 1 332.488 3.149 20 0 EGADMP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000295008368 308281012 /nfs/dbraw/zinc/28/10/12/308281012.db2.gz JDUFKDPPFVBOIQ-XDWAVFMPSA-N 2 1 328.500 3.038 20 0 EGADMP Cc1ccccc1[C@H]([NH3+])C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000295209110 308303004 /nfs/dbraw/zinc/30/30/04/308303004.db2.gz PVNZUZRLUOVUIP-XLIONFOSSA-N 2 1 339.483 3.022 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000414670749 309094768 /nfs/dbraw/zinc/09/47/68/309094768.db2.gz MMCQVAVYAMEFOM-IPELMVKDSA-N 2 1 338.499 3.339 20 0 EGADMP CC[N@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000414720267 309097325 /nfs/dbraw/zinc/09/73/25/309097325.db2.gz XZVJOQXPVIXOKS-QGZVFWFLSA-N 2 1 332.879 3.490 20 0 EGADMP CC[N@@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000414720267 309097326 /nfs/dbraw/zinc/09/73/26/309097326.db2.gz XZVJOQXPVIXOKS-QGZVFWFLSA-N 2 1 332.879 3.490 20 0 EGADMP C[C@H]1C[C@H](C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC[NH2+]1 ZINC000414752658 309098777 /nfs/dbraw/zinc/09/87/77/309098777.db2.gz LAEBKLSWJJAYSH-PZJWPPBQSA-N 3 1 341.543 3.363 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)CC[NH2+]1 ZINC000414750728 309098811 /nfs/dbraw/zinc/09/88/11/309098811.db2.gz RKAIZXJGRPOZJA-LMCLETFFSA-N 2 1 343.298 3.271 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OCC(C)C ZINC000414762686 309099236 /nfs/dbraw/zinc/09/92/36/309099236.db2.gz AVRNLUPXKJBDFB-HDICACEKSA-N 2 1 332.488 3.161 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2c(Cl)oc3ccccc32)CC12CCOCC2 ZINC000414773085 309099927 /nfs/dbraw/zinc/09/99/27/309099927.db2.gz CWMQVRKSHDYSLJ-ZDUSSCGKSA-N 2 1 334.847 3.274 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(-c2cnn(C)c2)c1 ZINC000414777923 309100382 /nfs/dbraw/zinc/10/03/82/309100382.db2.gz IPRLGKWZGCQIEI-ZWKOTPCHSA-N 2 1 338.499 3.217 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2)CC12CCOCC2 ZINC000414779066 309100487 /nfs/dbraw/zinc/10/04/87/309100487.db2.gz HGOUAYOMRPSXOW-CYBMUJFWSA-N 2 1 329.271 3.181 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2)CC12CCOCC2 ZINC000414779066 309100488 /nfs/dbraw/zinc/10/04/88/309100488.db2.gz HGOUAYOMRPSXOW-CYBMUJFWSA-N 2 1 329.271 3.181 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OC(F)F ZINC000414778971 309100526 /nfs/dbraw/zinc/10/05/26/309100526.db2.gz JVGQGQLSELDEMT-CABCVRRESA-N 2 1 340.414 3.118 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000414779429 309100552 /nfs/dbraw/zinc/10/05/52/309100552.db2.gz KBCOZQQIJYDXKM-HUUCEWRRSA-N 2 1 338.879 3.179 20 0 EGADMP Clc1ccc(-n2cc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000414782700 309100824 /nfs/dbraw/zinc/10/08/24/309100824.db2.gz OREAKVMSTAWSCH-IAGOWNOFSA-N 2 1 344.890 3.347 20 0 EGADMP COc1cc(C[N@H+](C)C2CC([NH3+])C2)ccc1OCc1cccs1 ZINC000414782895 309100883 /nfs/dbraw/zinc/10/08/83/309100883.db2.gz XYXRZKGWZMEKCY-UHFFFAOYSA-N 2 1 332.469 3.257 20 0 EGADMP COc1cc(C[N@@H+](C)C2CC([NH3+])C2)ccc1OCc1cccs1 ZINC000414782895 309100884 /nfs/dbraw/zinc/10/08/84/309100884.db2.gz XYXRZKGWZMEKCY-UHFFFAOYSA-N 2 1 332.469 3.257 20 0 EGADMP CCCCOc1ccccc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414785795 309101071 /nfs/dbraw/zinc/10/10/71/309101071.db2.gz TXTRLAHVGPFVQW-SFHVURJKSA-N 2 1 332.488 3.053 20 0 EGADMP c1cc(OC[C@@H]2CCCO2)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414788489 309101400 /nfs/dbraw/zinc/10/14/00/309101400.db2.gz WPJGTAWTUNOZOP-SBHAEUEKSA-N 2 1 344.499 3.066 20 0 EGADMP COc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1OCc1ccccc1 ZINC000414789018 309101555 /nfs/dbraw/zinc/10/15/55/309101555.db2.gz NLPUUUKPIGCICE-UHFFFAOYSA-N 2 1 326.440 3.116 20 0 EGADMP CCCC[C@@H](CN)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414809019 309102831 /nfs/dbraw/zinc/10/28/31/309102831.db2.gz FXJHSKURBLFJKV-AWEZNQCLSA-N 2 1 340.393 3.498 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414809019 309102832 /nfs/dbraw/zinc/10/28/32/309102832.db2.gz FXJHSKURBLFJKV-AWEZNQCLSA-N 2 1 340.393 3.498 20 0 EGADMP FC(F)Oc1c(Br)cccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414827914 309104114 /nfs/dbraw/zinc/10/41/14/309104114.db2.gz LAMMYTHZHYTZFP-JTQLQIEISA-N 2 1 349.219 3.140 20 0 EGADMP [NH3+][C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000414829185 309104338 /nfs/dbraw/zinc/10/43/38/309104338.db2.gz KIKYZENOZTVNQY-GXRSIYKFSA-N 2 1 335.495 3.187 20 0 EGADMP [NH3+]C1(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCCCC1 ZINC000414848997 309105324 /nfs/dbraw/zinc/10/53/24/309105324.db2.gz WXSASFXJJHKIFU-HSALFYBXSA-N 2 1 327.516 3.148 20 0 EGADMP C[C@]1(C[NH2+]Cc2ccccc2OCc2ccccn2)CCC[NH2+]C1 ZINC000414896418 309107960 /nfs/dbraw/zinc/10/79/60/309107960.db2.gz BOYICQTUJHTFIL-FQEVSTJZSA-N 2 1 325.456 3.140 20 0 EGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000414895601 309107963 /nfs/dbraw/zinc/10/79/63/309107963.db2.gz YCLLBEPVDNZRCI-GOSISDBHSA-N 2 1 342.487 3.141 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414917918 309109137 /nfs/dbraw/zinc/10/91/37/309109137.db2.gz SKYUAYUMJRYQFW-LJQANCHMSA-N 2 1 348.441 3.247 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[NH2+]1 ZINC000414948563 309110810 /nfs/dbraw/zinc/11/08/10/309110810.db2.gz MHZOHEXBCDKMDN-RDJZCZTQSA-N 2 1 326.488 3.400 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414947287 309110816 /nfs/dbraw/zinc/11/08/16/309110816.db2.gz KOYUARJDIMOSQH-DNVCBOLYSA-N 2 1 326.488 3.087 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c(Cl)c1 ZINC000415065041 309117873 /nfs/dbraw/zinc/11/78/73/309117873.db2.gz MBWGENUBHDHEIX-GUYCJALGSA-N 2 1 337.895 3.473 20 0 EGADMP COc1ccc(Oc2ccc(C[N@@H+]3CCCO[C@H](C[NH3+])C3)cc2)cc1 ZINC000415101366 309120410 /nfs/dbraw/zinc/12/04/10/309120410.db2.gz BRUYSSYKJOYIQR-HXUWFJFHSA-N 2 1 342.439 3.037 20 0 EGADMP COc1ccc(Oc2ccc(C[N@H+]3CCCO[C@H](C[NH3+])C3)cc2)cc1 ZINC000415101366 309120411 /nfs/dbraw/zinc/12/04/11/309120411.db2.gz BRUYSSYKJOYIQR-HXUWFJFHSA-N 2 1 342.439 3.037 20 0 EGADMP CCOc1ccc(Oc2cc(C[NH2+]C[C@]3(C)CC[NH2+]C3)ccn2)cc1 ZINC000415104307 309120595 /nfs/dbraw/zinc/12/05/95/309120595.db2.gz LAUQJLTZCQSTSG-HXUWFJFHSA-N 2 1 341.455 3.362 20 0 EGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000415113537 309121127 /nfs/dbraw/zinc/12/11/27/309121127.db2.gz UIVLUEZQLKEEBL-IRXDYDNUSA-N 2 1 326.843 3.197 20 0 EGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3c(F)cccc3Cl)CC2)C1 ZINC000415118474 309121598 /nfs/dbraw/zinc/12/15/98/309121598.db2.gz DHIVJWMWIKVXQY-SUMWQHHRSA-N 2 1 326.843 3.197 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000415125392 309122279 /nfs/dbraw/zinc/12/22/79/309122279.db2.gz LDGYCTCUBWUVGX-JSGCOSHPSA-N 2 1 346.393 3.053 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000415939714 309150204 /nfs/dbraw/zinc/15/02/04/309150204.db2.gz ZJCHVLYQQWERMZ-JKSUJKDBSA-N 2 1 332.492 3.038 20 0 EGADMP CO[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)CC(C)C ZINC000417359313 309203031 /nfs/dbraw/zinc/20/30/31/309203031.db2.gz IURIPWMBZQKKEA-HXUWFJFHSA-N 2 1 336.495 3.483 20 0 EGADMP CCN(C(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1)C1CCCCC1 ZINC000419299043 309263631 /nfs/dbraw/zinc/26/36/31/309263631.db2.gz XUOONWGQOANPRX-INIZCTEOSA-N 2 1 335.536 3.163 20 0 EGADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420297481 309279976 /nfs/dbraw/zinc/27/99/76/309279976.db2.gz FYMZQIVEXAPHJA-DVMWJLJYSA-N 2 1 342.458 3.140 20 0 EGADMP [NH3+]C[C@H]1CC[N@@H+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420299159 309280328 /nfs/dbraw/zinc/28/03/28/309280328.db2.gz TUMOTODUFPAORN-QRWLVFNGSA-N 2 1 333.435 3.373 20 0 EGADMP [NH3+]C[C@H]1CC[N@H+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420299159 309280329 /nfs/dbraw/zinc/28/03/29/309280329.db2.gz TUMOTODUFPAORN-QRWLVFNGSA-N 2 1 333.435 3.373 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC000420309961 309281035 /nfs/dbraw/zinc/28/10/35/309281035.db2.gz UNQGATBOWZPUCY-OAHLLOKOSA-N 2 1 330.394 3.402 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000420313051 309281375 /nfs/dbraw/zinc/28/13/75/309281375.db2.gz TXNSWYHFBCIORT-HQRMLTQVSA-N 2 1 337.467 3.344 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000420313051 309281376 /nfs/dbraw/zinc/28/13/76/309281376.db2.gz TXNSWYHFBCIORT-HQRMLTQVSA-N 2 1 337.467 3.344 20 0 EGADMP Cc1ccc(-c2cc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000420321254 309282020 /nfs/dbraw/zinc/28/20/20/309282020.db2.gz COWOYUJLAYVRPZ-ROUUACIJSA-N 2 1 325.456 3.472 20 0 EGADMP Cc1sc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(C)c1C ZINC000420330788 309282546 /nfs/dbraw/zinc/28/25/46/309282546.db2.gz BUFCUQHYTBJYBV-MRXNPFEDSA-N 2 1 335.517 3.076 20 0 EGADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340056 309283288 /nfs/dbraw/zinc/28/32/88/309283288.db2.gz MLOKLPFPARTWBL-QZTJIDSGSA-N 2 1 330.472 3.109 20 0 EGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000420357910 309283763 /nfs/dbraw/zinc/28/37/63/309283763.db2.gz ICXXXTNGUOZGTP-LJQANCHMSA-N 2 1 337.467 3.417 20 0 EGADMP [NH3+]C[C@H]([NH2+]CCOc1cccc(Br)c1)C1CCCCC1 ZINC000420358152 309283788 /nfs/dbraw/zinc/28/37/88/309283788.db2.gz FASGDRYWBNIVKE-INIZCTEOSA-N 2 1 341.293 3.325 20 0 EGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ncc(-c4cccs4)o3)CC2)C1 ZINC000420392344 309286073 /nfs/dbraw/zinc/28/60/73/309286073.db2.gz PJMKDWACVGXXIL-LSDHHAIUSA-N 2 1 347.484 3.121 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C[C@@H]1C[NH3+] ZINC000420417868 309287163 /nfs/dbraw/zinc/28/71/63/309287163.db2.gz WNDLCGZWHWZQCA-WMZOPIPTSA-N 2 1 334.467 3.418 20 0 EGADMP CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420946717 309303355 /nfs/dbraw/zinc/30/33/55/309303355.db2.gz NYQFRMCZZKVDAG-OAQYLSRUSA-N 2 1 339.483 3.497 20 0 EGADMP CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420946717 309303356 /nfs/dbraw/zinc/30/33/56/309303356.db2.gz NYQFRMCZZKVDAG-OAQYLSRUSA-N 2 1 339.483 3.497 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000421003593 309306720 /nfs/dbraw/zinc/30/67/20/309306720.db2.gz FISZQWWYLFUEPP-DOTOQJQBSA-N 2 1 335.492 3.271 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000421003593 309306721 /nfs/dbraw/zinc/30/67/21/309306721.db2.gz FISZQWWYLFUEPP-DOTOQJQBSA-N 2 1 335.492 3.271 20 0 EGADMP O[C@]1(C[NH2+]Cc2cccc(C3CC3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000421352405 309319705 /nfs/dbraw/zinc/31/97/05/309319705.db2.gz DFENSGZFSIULRO-QFIPXVFZSA-N 2 1 336.479 3.291 20 0 EGADMP O[C@]1(C[NH2+]Cc2cccc(C3CC3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000421352405 309319706 /nfs/dbraw/zinc/31/97/06/309319706.db2.gz DFENSGZFSIULRO-QFIPXVFZSA-N 2 1 336.479 3.291 20 0 EGADMP COC1([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCCC1 ZINC000421826138 309341894 /nfs/dbraw/zinc/34/18/94/309341894.db2.gz RCKNLXLFKCUESK-AZUAARDMSA-N 2 1 330.516 3.488 20 0 EGADMP COC1([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CCCC1 ZINC000421842493 309342836 /nfs/dbraw/zinc/34/28/36/309342836.db2.gz OAGGTYCWXQZMML-PXNSSMCTSA-N 2 1 346.515 3.081 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(OCc3ccccn3)c2)C[C@@H]1C[NH3+] ZINC000422560164 309361601 /nfs/dbraw/zinc/36/16/01/309361601.db2.gz FYNVZCMERSQKAF-AOIWGVFYSA-N 2 1 339.483 3.466 20 0 EGADMP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)N1CCc2sccc2C1 ZINC000422716114 309364658 /nfs/dbraw/zinc/36/46/58/309364658.db2.gz MXLSACIIIDLFDH-BVGQSLNGSA-N 2 1 327.497 3.229 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422742506 309366316 /nfs/dbraw/zinc/36/63/16/309366316.db2.gz QBMTWMIYAICHJW-LAUBAEHRSA-N 2 1 325.500 3.186 20 0 EGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422742506 309366317 /nfs/dbraw/zinc/36/63/17/309366317.db2.gz QBMTWMIYAICHJW-LAUBAEHRSA-N 3 1 325.500 3.186 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422742506 309366318 /nfs/dbraw/zinc/36/63/18/309366318.db2.gz QBMTWMIYAICHJW-LAUBAEHRSA-N 3 1 325.500 3.186 20 0 EGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)c1 ZINC000422742506 309366319 /nfs/dbraw/zinc/36/63/19/309366319.db2.gz QBMTWMIYAICHJW-LAUBAEHRSA-N 2 1 325.500 3.186 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)c1 ZINC000422742506 309366320 /nfs/dbraw/zinc/36/63/20/309366320.db2.gz QBMTWMIYAICHJW-LAUBAEHRSA-N 2 1 325.500 3.186 20 0 EGADMP CC[C@H](C(=O)N1CC[NH2+]Cc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000422798532 309369101 /nfs/dbraw/zinc/36/91/01/309369101.db2.gz RNHUGRZBWKEGQL-LJQANCHMSA-N 2 1 337.467 3.033 20 0 EGADMP CC[C@H](C(=O)N1CC[NH2+]Cc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000422798532 309369102 /nfs/dbraw/zinc/36/91/02/309369102.db2.gz RNHUGRZBWKEGQL-LJQANCHMSA-N 2 1 337.467 3.033 20 0 EGADMP CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423024880 309381678 /nfs/dbraw/zinc/38/16/78/309381678.db2.gz NAJXTBQSRLBNIU-JLZZUVOBSA-N 2 1 325.859 3.178 20 0 EGADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423029043 309381823 /nfs/dbraw/zinc/38/18/23/309381823.db2.gz HMHLZEBGGVGIEY-CWJKEVGVSA-N 3 1 329.532 3.394 20 0 EGADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423053515 309383207 /nfs/dbraw/zinc/38/32/07/309383207.db2.gz SRDQSKIOBNIRGP-NUEKZKHPSA-N 2 1 329.410 3.025 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)[C@@H]1CCCC[NH2+]1 ZINC000423078718 309384914 /nfs/dbraw/zinc/38/49/14/309384914.db2.gz WNQMKBIEGTUSJL-QLIIJSOBSA-N 2 1 334.479 3.020 20 0 EGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423109178 309386318 /nfs/dbraw/zinc/38/63/18/309386318.db2.gz UHPNFNYTBFTSMR-DZGCQCFKSA-N 2 1 345.409 3.423 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)c1nccn1-c1ccccc1 ZINC000423130834 309387417 /nfs/dbraw/zinc/38/74/17/309387417.db2.gz SFVTYWPDFGDCLI-GDBMZVCRSA-N 2 1 335.455 3.446 20 0 EGADMP CC[C@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423144362 309388138 /nfs/dbraw/zinc/38/81/38/309388138.db2.gz YRWXSXBGWPIFPE-HKBOAZHASA-N 2 1 329.532 3.409 20 0 EGADMP Fc1cccc(-n2cccn2)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423154264 309388467 /nfs/dbraw/zinc/38/84/67/309388467.db2.gz JEAVANADUOTATA-JCGIZDLHSA-N 2 1 328.435 3.022 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000423214907 309390870 /nfs/dbraw/zinc/39/08/70/309390870.db2.gz LYSNGQSYWJMCIO-FRRDWIJNSA-N 2 1 341.293 3.496 20 0 EGADMP CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]CC[NH2+]C)nc1 ZINC000423234975 309391866 /nfs/dbraw/zinc/39/18/66/309391866.db2.gz ACEADVWJPAEQDQ-IBGZPJMESA-N 2 1 331.891 3.260 20 0 EGADMP CCC([NH3+])(CC)CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423286321 309394088 /nfs/dbraw/zinc/39/40/88/309394088.db2.gz GNXOYXRECPGMBK-VAMGGRTRSA-N 2 1 329.532 3.394 20 0 EGADMP C[C@@H](C[NH3+])C[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000423301080 309394477 /nfs/dbraw/zinc/39/44/77/309394477.db2.gz FJOXHKWNSCXJQM-DJJJIMSYSA-N 2 1 346.858 3.385 20 0 EGADMP CC(C)[C@@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H](C)[NH3+] ZINC000423335134 309395699 /nfs/dbraw/zinc/39/56/99/309395699.db2.gz PNWFSAGYLGUJMP-FUHIMQAGSA-N 2 1 345.531 3.154 20 0 EGADMP CC(C)[C@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@H](C)[NH3+] ZINC000423342651 309396150 /nfs/dbraw/zinc/39/61/50/309396150.db2.gz VDZLEJWRBJEPIQ-UWVAXJGDSA-N 2 1 345.531 3.297 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4=CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423351066 309396642 /nfs/dbraw/zinc/39/66/42/309396642.db2.gz HKAHRHBTSIJWEK-FDFHNCONSA-N 3 1 339.527 3.187 20 0 EGADMP COCC1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000423369291 309397317 /nfs/dbraw/zinc/39/73/17/309397317.db2.gz ODBXJFHSVXZCIU-VLEUTVDFSA-N 2 1 338.442 3.205 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423416705 309399504 /nfs/dbraw/zinc/39/95/04/309399504.db2.gz DETODHZSQHOLAH-XCJLJZCSSA-N 3 1 329.532 3.252 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423416705 309399505 /nfs/dbraw/zinc/39/95/05/309399505.db2.gz DETODHZSQHOLAH-XCJLJZCSSA-N 2 1 329.532 3.252 20 0 EGADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423417832 309399562 /nfs/dbraw/zinc/39/95/62/309399562.db2.gz TVOARNUDWCGDJE-OALUTQOASA-N 2 1 343.515 3.093 20 0 EGADMP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2SC)CC1 ZINC000430581737 309611827 /nfs/dbraw/zinc/61/18/27/309611827.db2.gz HZXAUSTUGWLBGE-AWEZNQCLSA-N 2 1 335.517 3.057 20 0 EGADMP COC(=O)c1ccoc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443588064 309904112 /nfs/dbraw/zinc/90/41/12/309904112.db2.gz CRQLWRJCZADFLX-UHFFFAOYSA-N 2 1 334.460 3.154 20 0 EGADMP CCn1nnc(C)c1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000449076023 310035060 /nfs/dbraw/zinc/03/50/60/310035060.db2.gz GGXTXCPUVBHRGP-MRXNPFEDSA-N 2 1 341.503 3.128 20 0 EGADMP CCOC(=O)c1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)[nH]c1C ZINC000449082917 310035709 /nfs/dbraw/zinc/03/57/09/310035709.db2.gz QUQWSJVDPGRCGZ-HNNXBMFYSA-N 2 1 335.492 3.102 20 0 EGADMP COc1nccc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)n1 ZINC000449130000 310039131 /nfs/dbraw/zinc/03/91/31/310039131.db2.gz FGRGAMHUOQHZIL-UHFFFAOYSA-N 2 1 340.471 3.007 20 0 EGADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCC1 ZINC000449139275 310039762 /nfs/dbraw/zinc/03/97/62/310039762.db2.gz AIQLYRMTTIQOOR-PMACEKPBSA-N 2 1 343.515 3.052 20 0 EGADMP Cc1cccc(CC[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000449233848 310046513 /nfs/dbraw/zinc/04/65/13/310046513.db2.gz NLUAUOZGBGMGKA-JOCHJYFZSA-N 2 1 338.495 3.284 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449332095 310054184 /nfs/dbraw/zinc/05/41/84/310054184.db2.gz QALQSUQITUONJE-ZWKOTPCHSA-N 2 1 330.472 3.154 20 0 EGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449332095 310054185 /nfs/dbraw/zinc/05/41/85/310054185.db2.gz QALQSUQITUONJE-ZWKOTPCHSA-N 2 1 330.472 3.154 20 0 EGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449332095 310054186 /nfs/dbraw/zinc/05/41/86/310054186.db2.gz QALQSUQITUONJE-ZWKOTPCHSA-N 2 1 330.472 3.154 20 0 EGADMP CCN(C)C(=O)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C(C)C ZINC000449442097 310062369 /nfs/dbraw/zinc/06/23/69/310062369.db2.gz WGNTYXCNJHFMIX-UHOSZYNNSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]([C@H](CO)C2CC2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000449506045 310067647 /nfs/dbraw/zinc/06/76/47/310067647.db2.gz KJOADWGVSGYKRF-DHWLSRIRSA-N 2 1 342.527 3.426 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]([C@H](CO)C2CC2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000449506045 310067648 /nfs/dbraw/zinc/06/76/48/310067648.db2.gz KJOADWGVSGYKRF-DHWLSRIRSA-N 2 1 342.527 3.426 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CCCC[C@@H]3C)C2)CC1 ZINC000449512563 310068340 /nfs/dbraw/zinc/06/83/40/310068340.db2.gz ZYKRGKQZUYPADN-SESVDKBCSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CCCC[C@@H]3C)C2)CC1 ZINC000449512563 310068341 /nfs/dbraw/zinc/06/83/41/310068341.db2.gz ZYKRGKQZUYPADN-SESVDKBCSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@H]3CCCC[C@@H]3C)C2)CC1 ZINC000449512563 310068342 /nfs/dbraw/zinc/06/83/42/310068342.db2.gz ZYKRGKQZUYPADN-SESVDKBCSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@H]3CCCC[C@@H]3C)C2)CC1 ZINC000449512563 310068343 /nfs/dbraw/zinc/06/83/43/310068343.db2.gz ZYKRGKQZUYPADN-SESVDKBCSA-N 2 1 349.563 3.079 20 0 EGADMP OCC1(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000449579800 310073588 /nfs/dbraw/zinc/07/35/88/310073588.db2.gz JVGPCMZPRMOJOX-XUVXKRRUSA-N 2 1 328.500 3.039 20 0 EGADMP C[C@H]1C[N@@H+](CC23CC4CC(CC(C4)C2)C3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000450638218 310134234 /nfs/dbraw/zinc/13/42/34/310134234.db2.gz BLOMKOQHCHSJCH-SFXFZMGTSA-N 2 1 345.575 3.161 20 0 EGADMP C[C@H]1C[N@@H+](CC/C=C\c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000450651820 310135278 /nfs/dbraw/zinc/13/52/78/310135278.db2.gz LZCWYOQVJDWWLU-SMTIMMHKSA-N 2 1 327.516 3.190 20 0 EGADMP Cc1cccc(Cl)c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450655596 310135344 /nfs/dbraw/zinc/13/53/44/310135344.db2.gz YRQCIHBAPUDMJP-LPHOPBHVSA-N 2 1 335.923 3.106 20 0 EGADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451301476 310170367 /nfs/dbraw/zinc/17/03/67/310170367.db2.gz CPSFXCDDZCQBCF-HOTGVXAUSA-N 2 1 330.394 3.203 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451301476 310170368 /nfs/dbraw/zinc/17/03/68/310170368.db2.gz CPSFXCDDZCQBCF-HOTGVXAUSA-N 2 1 330.394 3.203 20 0 EGADMP C(=C/C[N@H+]1CCSC[C@@H]1C1CC1)\C[NH+]1CCSC[C@@H]1C1CC1 ZINC000451646438 310190932 /nfs/dbraw/zinc/19/09/32/310190932.db2.gz FLPIVRVIZYQCGN-ZHEVZCJESA-N 2 1 338.586 3.197 20 0 EGADMP c1cnn(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000453062394 310255256 /nfs/dbraw/zinc/25/52/56/310255256.db2.gz DOYXNERHHNCYNY-ACRUOGEOSA-N 2 1 338.499 3.306 20 0 EGADMP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccncc1 ZINC000453144347 310260810 /nfs/dbraw/zinc/26/08/10/310260810.db2.gz VQLKIHPCFCUNAS-SFHVURJKSA-N 2 1 325.460 3.198 20 0 EGADMP C[C@@H](Cc1cnn(C)c1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453326982 310271212 /nfs/dbraw/zinc/27/12/12/310271212.db2.gz AUQFONXWJVLDRL-RPCJCACASA-N 2 1 340.515 3.384 20 0 EGADMP CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453346643 310272227 /nfs/dbraw/zinc/27/22/27/310272227.db2.gz KNVNDLPXSDJKEL-JKSUJKDBSA-N 2 1 330.476 3.255 20 0 EGADMP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2[nH]c(=O)oc2c1 ZINC000453350825 310272516 /nfs/dbraw/zinc/27/25/16/310272516.db2.gz MDWZDWNNJDVTBC-MUSFGAPCSA-N 2 1 329.444 3.445 20 0 EGADMP c1ccc(CC[NH+]2CCC([N@@H+]3CCC[C@]4(CCOC4)C3)CC2)cc1 ZINC000453371199 310273344 /nfs/dbraw/zinc/27/33/44/310273344.db2.gz NUNIUBAPZPPZIZ-NRFANRHFSA-N 2 1 328.500 3.196 20 0 EGADMP c1ccc(CC[NH+]2CCC([N@H+]3CCC[C@]4(CCOC4)C3)CC2)cc1 ZINC000453371199 310273345 /nfs/dbraw/zinc/27/33/45/310273345.db2.gz NUNIUBAPZPPZIZ-NRFANRHFSA-N 2 1 328.500 3.196 20 0 EGADMP COc1ccc(C(C)(C)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000459415610 310551178 /nfs/dbraw/zinc/55/11/78/310551178.db2.gz ZYGUKDLECNADQO-UHFFFAOYSA-N 2 1 332.488 3.198 20 0 EGADMP O[C@]1(CNCc2sccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000487317343 311020266 /nfs/dbraw/zinc/02/02/66/311020266.db2.gz JPBTYDCYOXWRKC-KRWDZBQOSA-N 2 1 336.888 3.128 20 0 EGADMP O[C@]1(C[NH2+]Cc2sccc2Cl)CCN(Cc2ccccc2)C1 ZINC000487317343 311020268 /nfs/dbraw/zinc/02/02/68/311020268.db2.gz JPBTYDCYOXWRKC-KRWDZBQOSA-N 2 1 336.888 3.128 20 0 EGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CS1 ZINC000488447153 311066123 /nfs/dbraw/zinc/06/61/23/311066123.db2.gz ZKLIRRRNEQDBBW-HBFSDRIKSA-N 2 1 348.556 3.133 20 0 EGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CS1 ZINC000488447153 311066125 /nfs/dbraw/zinc/06/61/25/311066125.db2.gz ZKLIRRRNEQDBBW-HBFSDRIKSA-N 2 1 348.556 3.133 20 0 EGADMP Fc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000512474568 312187092 /nfs/dbraw/zinc/18/70/92/312187092.db2.gz LXTMQCRYAKULHK-UHFFFAOYSA-N 2 1 340.870 3.413 20 0 EGADMP CC(C)[N@@H+](C)CCN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512625252 312190376 /nfs/dbraw/zinc/19/03/76/312190376.db2.gz MMQHPPWQKMKLLG-QHAWAJNXSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[NH+](C)CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512625252 312190378 /nfs/dbraw/zinc/19/03/78/312190378.db2.gz MMQHPPWQKMKLLG-QHAWAJNXSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[NH+](C)CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512625252 312190380 /nfs/dbraw/zinc/19/03/80/312190380.db2.gz MMQHPPWQKMKLLG-QHAWAJNXSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)N(C)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512625252 312190382 /nfs/dbraw/zinc/19/03/82/312190382.db2.gz MMQHPPWQKMKLLG-QHAWAJNXSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)N(C)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512625252 312190384 /nfs/dbraw/zinc/19/03/84/312190384.db2.gz MMQHPPWQKMKLLG-QHAWAJNXSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)[C@H]1C ZINC000512666228 312191735 /nfs/dbraw/zinc/19/17/35/312191735.db2.gz JKFZHBVILFDPNK-GZSKETOLSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)[C@H]1C ZINC000512666228 312191737 /nfs/dbraw/zinc/19/17/37/312191737.db2.gz JKFZHBVILFDPNK-GZSKETOLSA-N 2 1 330.516 3.284 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512652956 312191773 /nfs/dbraw/zinc/19/17/73/312191773.db2.gz CCKWYDZRVJZHAE-YUMYIRISSA-N 2 1 341.543 3.361 20 0 EGADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512652956 312191775 /nfs/dbraw/zinc/19/17/75/312191775.db2.gz CCKWYDZRVJZHAE-YUMYIRISSA-N 2 1 341.543 3.361 20 0 EGADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512652956 312191777 /nfs/dbraw/zinc/19/17/77/312191777.db2.gz CCKWYDZRVJZHAE-YUMYIRISSA-N 2 1 341.543 3.361 20 0 EGADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512652956 312191780 /nfs/dbraw/zinc/19/17/80/312191780.db2.gz CCKWYDZRVJZHAE-YUMYIRISSA-N 2 1 341.543 3.361 20 0 EGADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512652956 312191781 /nfs/dbraw/zinc/19/17/81/312191781.db2.gz CCKWYDZRVJZHAE-YUMYIRISSA-N 2 1 341.543 3.361 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000513228297 312204464 /nfs/dbraw/zinc/20/44/64/312204464.db2.gz WGYFFNSZJBXJNC-KRWDZBQOSA-N 2 1 336.549 3.356 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000513228297 312204466 /nfs/dbraw/zinc/20/44/66/312204466.db2.gz WGYFFNSZJBXJNC-KRWDZBQOSA-N 2 1 336.549 3.356 20 0 EGADMP CCC[N@H+](CCCc1c[nH+]cn1C)CC(=O)Nc1ccc(Cl)cc1 ZINC000516310462 312319888 /nfs/dbraw/zinc/31/98/88/312319888.db2.gz RSZSYAGGAFGQEH-UHFFFAOYSA-N 2 1 348.878 3.357 20 0 EGADMP CCC[N@@H+](CCCc1c[nH+]cn1C)CC(=O)Nc1ccc(Cl)cc1 ZINC000516310462 312319889 /nfs/dbraw/zinc/31/98/89/312319889.db2.gz RSZSYAGGAFGQEH-UHFFFAOYSA-N 2 1 348.878 3.357 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528355907 313072603 /nfs/dbraw/zinc/07/26/03/313072603.db2.gz QEYSKACQYFSCDI-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000528392449 313082008 /nfs/dbraw/zinc/08/20/08/313082008.db2.gz CZIBTKVNMMGDIX-AZUAARDMSA-N 2 1 334.479 3.047 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000528392449 313082010 /nfs/dbraw/zinc/08/20/10/313082010.db2.gz CZIBTKVNMMGDIX-AZUAARDMSA-N 2 1 334.479 3.047 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000528392449 313082012 /nfs/dbraw/zinc/08/20/12/313082012.db2.gz CZIBTKVNMMGDIX-AZUAARDMSA-N 2 1 334.479 3.047 20 0 EGADMP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000528397370 313084066 /nfs/dbraw/zinc/08/40/66/313084066.db2.gz KBPBQSYQHBGZBI-OALUTQOASA-N 2 1 331.435 3.053 20 0 EGADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000528397370 313084069 /nfs/dbraw/zinc/08/40/69/313084069.db2.gz KBPBQSYQHBGZBI-OALUTQOASA-N 2 1 331.435 3.053 20 0 EGADMP COc1ccc(OC2CC[NH+](CCCn3cc[nH+]c3C)CC2)cc1 ZINC000534955345 314008471 /nfs/dbraw/zinc/00/84/71/314008471.db2.gz RLURGSHNHDSPQV-UHFFFAOYSA-N 2 1 329.444 3.134 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cscn1 ZINC000535778183 314073310 /nfs/dbraw/zinc/07/33/10/314073310.db2.gz NRBGKNFQTZZENC-HNNXBMFYSA-N 2 1 331.485 3.469 20 0 EGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000537951789 314219486 /nfs/dbraw/zinc/21/94/86/314219486.db2.gz BTXJTASSDFHLQT-PCKAHOCUSA-N 2 1 336.442 3.323 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000537951789 314219487 /nfs/dbraw/zinc/21/94/87/314219487.db2.gz BTXJTASSDFHLQT-PCKAHOCUSA-N 2 1 336.442 3.323 20 0 EGADMP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)c2)C[C@@H](C)O1 ZINC000538589295 314256435 /nfs/dbraw/zinc/25/64/35/314256435.db2.gz IUUUKNPZRBSEPL-JDNULILRSA-N 2 1 345.531 3.436 20 0 EGADMP CCCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000550380007 315126595 /nfs/dbraw/zinc/12/65/95/315126595.db2.gz MBXFGOQUNGALRR-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000550835565 315136120 /nfs/dbraw/zinc/13/61/20/315136120.db2.gz KQAYBWHFFNGSOV-LJQANCHMSA-N 2 1 339.483 3.481 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000550835565 315136123 /nfs/dbraw/zinc/13/61/23/315136123.db2.gz KQAYBWHFFNGSOV-LJQANCHMSA-N 2 1 339.483 3.481 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CCCO1 ZINC000551517016 315156799 /nfs/dbraw/zinc/15/67/99/315156799.db2.gz ASDYCFZOINXFIO-RLLQIKCJSA-N 2 1 346.515 3.323 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CCCO1 ZINC000551517016 315156801 /nfs/dbraw/zinc/15/68/01/315156801.db2.gz ASDYCFZOINXFIO-RLLQIKCJSA-N 2 1 346.515 3.323 20 0 EGADMP CC[N@H+]1CCC[C@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000552920609 315237805 /nfs/dbraw/zinc/23/78/05/315237805.db2.gz CGCGBVOHPYMRHO-LJQANCHMSA-N 2 1 347.522 3.154 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000552920609 315237807 /nfs/dbraw/zinc/23/78/07/315237807.db2.gz CGCGBVOHPYMRHO-LJQANCHMSA-N 2 1 347.522 3.154 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000552920609 315237809 /nfs/dbraw/zinc/23/78/09/315237809.db2.gz CGCGBVOHPYMRHO-LJQANCHMSA-N 2 1 347.522 3.154 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(F)c(C)c3)CC2)CC1 ZINC000553428976 315263220 /nfs/dbraw/zinc/26/32/20/315263220.db2.gz JSRYYULTMKYOLH-UHFFFAOYSA-N 2 1 347.478 3.269 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000555232923 315374463 /nfs/dbraw/zinc/37/44/63/315374463.db2.gz PUQVHSGVFNXXBT-OBKDMQGPSA-N 2 1 340.552 3.307 20 0 EGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000563700883 316058013 /nfs/dbraw/zinc/05/80/13/316058013.db2.gz LKBPYYJUQJZZMP-BPVAQJAMSA-N 2 1 341.499 3.187 20 0 EGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccc(N2CCOCC2)c1 ZINC000563880230 316084927 /nfs/dbraw/zinc/08/49/27/316084927.db2.gz WTVJEIPFNTXSGG-UZLBHIALSA-N 2 1 331.504 3.081 20 0 EGADMP Cc1ccc(CC[N@@H+](CCCc2c[nH+]cn2C)C[C@@H]2CCCO2)cc1 ZINC000565159028 316277848 /nfs/dbraw/zinc/27/78/48/316277848.db2.gz VOWHFECCDJAGHJ-NRFANRHFSA-N 2 1 341.499 3.385 20 0 EGADMP Cc1ccc(CC[N@H+](CCCc2c[nH+]cn2C)C[C@@H]2CCCO2)cc1 ZINC000565159028 316277850 /nfs/dbraw/zinc/27/78/50/316277850.db2.gz VOWHFECCDJAGHJ-NRFANRHFSA-N 2 1 341.499 3.385 20 0 EGADMP Cc1cnc2cc(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)ccn12 ZINC000565551578 316339416 /nfs/dbraw/zinc/33/94/16/316339416.db2.gz YDQAPJDITIIDPA-GOSISDBHSA-N 2 1 340.471 3.170 20 0 EGADMP CN(CCC[N@@H+](C)Cc1cccc(-c2cccnc2)c1)CC[NH+](C)C ZINC000570551406 317072776 /nfs/dbraw/zinc/07/27/76/317072776.db2.gz AWBHFPQOCUUFJM-UHFFFAOYSA-N 2 1 340.515 3.064 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(C)c1 ZINC000570606625 317080519 /nfs/dbraw/zinc/08/05/19/317080519.db2.gz XQLBFMATAFUQJB-ZWKOTPCHSA-N 2 1 331.504 3.340 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000571462656 317202818 /nfs/dbraw/zinc/20/28/18/317202818.db2.gz SSNNDAFECXPVHG-IBGZPJMESA-N 2 1 325.456 3.206 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000571462656 317202823 /nfs/dbraw/zinc/20/28/23/317202823.db2.gz SSNNDAFECXPVHG-IBGZPJMESA-N 2 1 325.456 3.206 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000573813120 317532208 /nfs/dbraw/zinc/53/22/08/317532208.db2.gz KQJZVLPXRJOACL-MRXNPFEDSA-N 2 1 341.377 3.085 20 0 EGADMP FC(F)COCCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000189565727 455218928 /nfs/dbraw/zinc/21/89/28/455218928.db2.gz LTQMGEXLIAOZTK-ROUUACIJSA-N 2 1 338.442 3.255 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4COc5ccccc5C4)[C@@H]3C2)cc1 ZINC000380816689 324244540 /nfs/dbraw/zinc/24/45/40/324244540.db2.gz DPUFIQWIVIPHCU-CBPXPLCBSA-N 2 1 348.490 3.490 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3CC(C)C)CC2)CC1 ZINC000578904450 325036203 /nfs/dbraw/zinc/03/62/03/325036203.db2.gz MZVJWVARPZTICX-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000579129371 325067834 /nfs/dbraw/zinc/06/78/34/325067834.db2.gz WHCRCCNKRWHKCM-OALUTQOASA-N 2 1 327.472 3.271 20 0 EGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000579986892 325186752 /nfs/dbraw/zinc/18/67/52/325186752.db2.gz HLJGIWKHEWXJPS-KRWDZBQOSA-N 2 1 345.531 3.031 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000581070072 325326579 /nfs/dbraw/zinc/32/65/79/325326579.db2.gz YFLCFRVVFCAPAW-KZNAEPCWSA-N 2 1 337.552 3.124 20 0 EGADMP O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000581380831 325357087 /nfs/dbraw/zinc/35/70/87/325357087.db2.gz GXCUPYZEEFBYME-MTQWCTHYSA-N 2 1 341.499 3.003 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]CCC(=O)Nc1cccnc1 ZINC000581424355 325360002 /nfs/dbraw/zinc/36/00/02/325360002.db2.gz LFYRWKOBFYYMPY-UHFFFAOYSA-N 2 1 340.471 3.040 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000581675496 325382102 /nfs/dbraw/zinc/38/21/02/325382102.db2.gz UYDUHPPGPZRJGL-MRXNPFEDSA-N 2 1 335.492 3.329 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000581675496 325382105 /nfs/dbraw/zinc/38/21/05/325382105.db2.gz UYDUHPPGPZRJGL-MRXNPFEDSA-N 2 1 335.492 3.329 20 0 EGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000583021423 325488533 /nfs/dbraw/zinc/48/85/33/325488533.db2.gz HHMLQIRJFMSIPQ-JKSUJKDBSA-N 2 1 339.911 3.083 20 0 EGADMP C[N@H+]1CCC[C@@]2(CCN(CCOc3ccc(F)cc3Cl)C2)C1 ZINC000339436043 457118327 /nfs/dbraw/zinc/11/83/27/457118327.db2.gz BTPRYRSUPIRGOA-QGZVFWFLSA-N 2 1 326.843 3.276 20 0 EGADMP C[N@@H+](Cc1ccc(OC(F)F)c(Br)c1)C1CC[NH2+]CC1 ZINC000347056498 457207293 /nfs/dbraw/zinc/20/72/93/457207293.db2.gz VKEKNDNWKKVCIK-UHFFFAOYSA-N 2 1 349.219 3.234 20 0 EGADMP COc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc(Cl)c1OC ZINC000459730007 458460949 /nfs/dbraw/zinc/46/09/49/458460949.db2.gz JQJMLLFNVJICOX-ZDUSSCGKSA-N 2 1 326.868 3.179 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(Br)cc2)C1 ZINC000464788667 458773174 /nfs/dbraw/zinc/77/31/74/458773174.db2.gz LPBVOCBUONGIPD-CQSZACIVSA-N 2 1 341.293 3.102 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(Br)cc2)C1 ZINC000464788667 458773179 /nfs/dbraw/zinc/77/31/79/458773179.db2.gz LPBVOCBUONGIPD-CQSZACIVSA-N 2 1 341.293 3.102 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000464788667 458773185 /nfs/dbraw/zinc/77/31/85/458773185.db2.gz LPBVOCBUONGIPD-CQSZACIVSA-N 2 1 341.293 3.102 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(Br)cc2)C1 ZINC000464788667 458773192 /nfs/dbraw/zinc/77/31/92/458773192.db2.gz LPBVOCBUONGIPD-CQSZACIVSA-N 2 1 341.293 3.102 20 0 EGADMP C[C@H]1C[C@H]([NH+](C)CCCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000183184945 455246531 /nfs/dbraw/zinc/24/65/31/455246531.db2.gz MBNDSAQRRRFOBJ-AZUAARDMSA-N 2 1 326.488 3.258 20 0 EGADMP C[C@H]1C[C@H]([NH+](C)CCCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000183184945 455246535 /nfs/dbraw/zinc/24/65/35/455246535.db2.gz MBNDSAQRRRFOBJ-AZUAARDMSA-N 2 1 326.488 3.258 20 0 EGADMP C[C@H]1C[C@H]([N@H+](C)CCCn2ccnc2)CC[NH+]1Cc1ccccc1 ZINC000183184945 455246537 /nfs/dbraw/zinc/24/65/37/455246537.db2.gz MBNDSAQRRRFOBJ-AZUAARDMSA-N 2 1 326.488 3.258 20 0 EGADMP C[C@H]1C[C@H]([N@@H+](C)CCCn2ccnc2)CC[NH+]1Cc1ccccc1 ZINC000183184945 455246543 /nfs/dbraw/zinc/24/65/43/455246543.db2.gz MBNDSAQRRRFOBJ-AZUAARDMSA-N 2 1 326.488 3.258 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1I ZINC000591578321 459405319 /nfs/dbraw/zinc/40/53/19/459405319.db2.gz QTPSYJFJARZQNY-NEPJUHHUSA-N 2 1 344.240 3.084 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000183705591 455323679 /nfs/dbraw/zinc/32/36/79/455323679.db2.gz GTTONBBRYXVHAQ-UYSNPLJNSA-N 2 1 336.442 3.182 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265476919 455332096 /nfs/dbraw/zinc/33/20/96/455332096.db2.gz JSNMMNZIQBASGN-LBPRGKRZSA-N 2 1 332.835 3.270 20 0 EGADMP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631843911 460579586 /nfs/dbraw/zinc/57/95/86/460579586.db2.gz CGGCIZKSPSGCLH-GXFFZTMASA-N 2 1 340.258 3.052 20 0 EGADMP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631843911 460579592 /nfs/dbraw/zinc/57/95/92/460579592.db2.gz CGGCIZKSPSGCLH-GXFFZTMASA-N 2 1 340.258 3.052 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000081362667 453865613 /nfs/dbraw/zinc/86/56/13/453865613.db2.gz XYBUPNMNYQTABR-IBGZPJMESA-N 2 1 343.515 3.086 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000081568775 453888605 /nfs/dbraw/zinc/88/86/05/453888605.db2.gz NRVSTOUQZITUSF-QGZVFWFLSA-N 2 1 342.487 3.333 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000081568775 453888608 /nfs/dbraw/zinc/88/86/08/453888608.db2.gz NRVSTOUQZITUSF-QGZVFWFLSA-N 2 1 342.487 3.333 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000081568775 453888611 /nfs/dbraw/zinc/88/86/11/453888611.db2.gz NRVSTOUQZITUSF-QGZVFWFLSA-N 2 1 342.487 3.333 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000081568775 453888613 /nfs/dbraw/zinc/88/86/13/453888613.db2.gz NRVSTOUQZITUSF-QGZVFWFLSA-N 2 1 342.487 3.333 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000067507168 453936599 /nfs/dbraw/zinc/93/65/99/453936599.db2.gz ACHRZTNHMKKMFS-HNNXBMFYSA-N 2 1 330.394 3.448 20 0 EGADMP Cc1ncsc1CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109714 453965219 /nfs/dbraw/zinc/96/52/19/453965219.db2.gz OHMXLEIVRKBNDR-SFHVURJKSA-N 2 1 329.513 3.448 20 0 EGADMP Cc1ncsc1CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109714 453965222 /nfs/dbraw/zinc/96/52/22/453965222.db2.gz OHMXLEIVRKBNDR-SFHVURJKSA-N 2 1 329.513 3.448 20 0 EGADMP Cc1ncsc1CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109714 453965224 /nfs/dbraw/zinc/96/52/24/453965224.db2.gz OHMXLEIVRKBNDR-SFHVURJKSA-N 2 1 329.513 3.448 20 0 EGADMP C[N@@H+](CCC(=O)OC(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109710 453965581 /nfs/dbraw/zinc/96/55/81/453965581.db2.gz XCDHUOPSJHDCGW-SFHVURJKSA-N 2 1 332.488 3.172 20 0 EGADMP C[NH+](CCC(=O)OC(C)(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109710 453965585 /nfs/dbraw/zinc/96/55/85/453965585.db2.gz XCDHUOPSJHDCGW-SFHVURJKSA-N 2 1 332.488 3.172 20 0 EGADMP C[NH+](CCC(=O)OC(C)(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109710 453965588 /nfs/dbraw/zinc/96/55/88/453965588.db2.gz XCDHUOPSJHDCGW-SFHVURJKSA-N 2 1 332.488 3.172 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)cc1C ZINC000076329371 453989401 /nfs/dbraw/zinc/98/94/01/453989401.db2.gz XUZPULZYZBMQTL-SFHVURJKSA-N 2 1 346.519 3.183 20 0 EGADMP COc1ccc(C[NH+]2CCC(CNc3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000068824304 454057750 /nfs/dbraw/zinc/05/77/50/454057750.db2.gz OKLMZKVHOUMSMV-UHFFFAOYSA-N 2 1 340.471 3.426 20 0 EGADMP CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523589 454064486 /nfs/dbraw/zinc/06/44/86/454064486.db2.gz RNQCNUOSZSEUJB-INIZCTEOSA-N 2 1 347.503 3.076 20 0 EGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000077249789 454082293 /nfs/dbraw/zinc/08/22/93/454082293.db2.gz XBVVDBYQHSFRGS-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000077249789 454082294 /nfs/dbraw/zinc/08/22/94/454082294.db2.gz XBVVDBYQHSFRGS-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000045007851 454133152 /nfs/dbraw/zinc/13/31/52/454133152.db2.gz YUQIATDSIGANKU-SFHVURJKSA-N 2 1 349.906 3.077 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000045007851 454133156 /nfs/dbraw/zinc/13/31/56/454133156.db2.gz YUQIATDSIGANKU-SFHVURJKSA-N 2 1 349.906 3.077 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000069754393 454141453 /nfs/dbraw/zinc/14/14/53/454141453.db2.gz WYJLUGWAKRDOOM-UHFFFAOYSA-N 2 1 336.439 3.345 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000089514005 454158047 /nfs/dbraw/zinc/15/80/47/454158047.db2.gz XNNRJWZKCCMDFC-FPXQBCRKSA-N 2 1 331.504 3.490 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000089514005 454158049 /nfs/dbraw/zinc/15/80/49/454158049.db2.gz XNNRJWZKCCMDFC-FPXQBCRKSA-N 2 1 331.504 3.490 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)[C@H](C)C1 ZINC000089728250 454184173 /nfs/dbraw/zinc/18/41/73/454184173.db2.gz YLCFDUIHRMTKRM-CZUORRHYSA-N 2 1 348.878 3.252 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ncc(Cl)cc2Cl)[C@H](C)C1 ZINC000090450561 454306811 /nfs/dbraw/zinc/30/68/11/454306811.db2.gz BRBCMIHMXRDZET-BXUZGUMPSA-N 2 1 332.275 3.087 20 0 EGADMP CCC(CC)[C@@H](CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)[NH+](C)C ZINC000133146291 454396793 /nfs/dbraw/zinc/39/67/93/454396793.db2.gz KLXSRHYJIFKITM-IOMROCGXSA-N 2 1 346.563 3.248 20 0 EGADMP CCC(CC)[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)[NH+](C)C ZINC000133146291 454396796 /nfs/dbraw/zinc/39/67/96/454396796.db2.gz KLXSRHYJIFKITM-IOMROCGXSA-N 2 1 346.563 3.248 20 0 EGADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+](C)CC1 ZINC000121188398 454403670 /nfs/dbraw/zinc/40/36/70/454403670.db2.gz PSVSNJLLFIMQFH-LBPRGKRZSA-N 2 1 343.393 3.106 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000121429841 454434016 /nfs/dbraw/zinc/43/40/16/454434016.db2.gz FZMYXWFVERHOCZ-GJZGRUSLSA-N 2 1 342.443 3.135 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000121444795 454436324 /nfs/dbraw/zinc/43/63/24/454436324.db2.gz WOLANWJGZATAQM-IRXDYDNUSA-N 3 1 344.503 3.119 20 0 EGADMP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121662428 454463913 /nfs/dbraw/zinc/46/39/13/454463913.db2.gz ZHZYWWFPRVXULP-MRXNPFEDSA-N 2 1 342.487 3.385 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000122546903 454544865 /nfs/dbraw/zinc/54/48/65/454544865.db2.gz ZZIYZULOJWWSSK-HZPDHXFCSA-N 2 1 336.480 3.007 20 0 EGADMP Cc1cc[nH+]c(NCc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000092372308 454557779 /nfs/dbraw/zinc/55/77/79/454557779.db2.gz PUGSTBYCWMUXDL-UHFFFAOYSA-N 2 1 330.863 3.407 20 0 EGADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000123101786 454602345 /nfs/dbraw/zinc/60/23/45/454602345.db2.gz FJDYRWMWCRPBGM-WMQCIHAUSA-N 2 1 329.532 3.143 20 0 EGADMP CC[C@H](CN[C@H]1CC[N@H+](CC)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000123101786 454602346 /nfs/dbraw/zinc/60/23/46/454602346.db2.gz FJDYRWMWCRPBGM-WMQCIHAUSA-N 2 1 329.532 3.143 20 0 EGADMP CC[C@H](CN[C@H]1CC[N@@H+](CC)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000123101786 454602351 /nfs/dbraw/zinc/60/23/51/454602351.db2.gz FJDYRWMWCRPBGM-WMQCIHAUSA-N 2 1 329.532 3.143 20 0 EGADMP CC[C@H](CN[C@H]1CC[NH+](CC)C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000123101786 454602355 /nfs/dbraw/zinc/60/23/55/454602355.db2.gz FJDYRWMWCRPBGM-WMQCIHAUSA-N 2 1 329.532 3.143 20 0 EGADMP CC[C@H](CN[C@H]1CC[NH+](CC)C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000123101786 454602359 /nfs/dbraw/zinc/60/23/59/454602359.db2.gz FJDYRWMWCRPBGM-WMQCIHAUSA-N 2 1 329.532 3.143 20 0 EGADMP c1cn(-c2ccc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)cn1 ZINC000134903273 454607244 /nfs/dbraw/zinc/60/72/44/454607244.db2.gz PQXPCBIWDXUCBH-NQIIRXRSSA-N 2 1 336.483 3.321 20 0 EGADMP c1cn(-c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2)cn1 ZINC000134903273 454607250 /nfs/dbraw/zinc/60/72/50/454607250.db2.gz PQXPCBIWDXUCBH-NQIIRXRSSA-N 2 1 336.483 3.321 20 0 EGADMP c1cn(-c2ccc(C[N@H+]3CC[C@H]4[C@H](CCCN4C4CC4)C3)cc2)cn1 ZINC000134903273 454607263 /nfs/dbraw/zinc/60/72/63/454607263.db2.gz PQXPCBIWDXUCBH-NQIIRXRSSA-N 3 1 336.483 3.321 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)s1 ZINC000092739876 454622799 /nfs/dbraw/zinc/62/27/99/454622799.db2.gz XAPBADOEBJDMEP-UONOGXRCSA-N 2 1 325.522 3.023 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000105476966 454640266 /nfs/dbraw/zinc/64/02/66/454640266.db2.gz FDDMOUJQILUSJR-UHFFFAOYSA-N 2 1 337.511 3.471 20 0 EGADMP CCC(CC)[C@@H](CNc1cncc(-n2cc[nH+]c2C)n1)[NH+]1CCCC1 ZINC000092886975 454649155 /nfs/dbraw/zinc/64/91/55/454649155.db2.gz ABVIPMIRLSTHFG-QGZVFWFLSA-N 2 1 342.491 3.283 20 0 EGADMP Cc1cccc(C)c1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123573864 454653961 /nfs/dbraw/zinc/65/39/61/454653961.db2.gz PSDGXJFPHQTVMU-UHFFFAOYSA-N 2 1 331.504 3.296 20 0 EGADMP Cc1ccc(NC(=O)CCn2cc[nH+]c2C(C)C)c(C[NH+](C)C)c1 ZINC000081044931 454676591 /nfs/dbraw/zinc/67/65/91/454676591.db2.gz QRALJMZLOJSHTC-UHFFFAOYSA-N 2 1 328.460 3.405 20 0 EGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC3CCC(C)CC3)CC2)CC1 ZINC000093142063 454688189 /nfs/dbraw/zinc/68/81/89/454688189.db2.gz WTFSXPMXWVNPRU-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000161600858 454707018 /nfs/dbraw/zinc/70/70/18/454707018.db2.gz BXXXMZCXHPLIPX-AWEZNQCLSA-N 2 1 329.488 3.441 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000161606783 454708196 /nfs/dbraw/zinc/70/81/96/454708196.db2.gz GAXJSXGXXVCMBL-KRWDZBQOSA-N 3 1 333.520 3.152 20 0 EGADMP CCCN1CCC([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000161606783 454708203 /nfs/dbraw/zinc/70/82/03/454708203.db2.gz GAXJSXGXXVCMBL-KRWDZBQOSA-N 2 1 333.520 3.152 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](COC)C(C)C)CC2)cs1 ZINC000161789390 454724710 /nfs/dbraw/zinc/72/47/10/454724710.db2.gz CCOXAJIWGQIAFQ-QGZVFWFLSA-N 2 1 339.549 3.178 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc(C)c1F ZINC000124536187 454745435 /nfs/dbraw/zinc/74/54/35/454745435.db2.gz WRABDIBBORTXBU-QGZVFWFLSA-N 2 1 335.511 3.367 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000162183639 454757908 /nfs/dbraw/zinc/75/79/08/454757908.db2.gz NPWKXGGPZIJMKV-LJQANCHMSA-N 2 1 335.492 3.022 20 0 EGADMP CCc1cc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)c2ccccc2[nH+]1 ZINC000124868838 454777609 /nfs/dbraw/zinc/77/76/09/454777609.db2.gz WHMYHYGEYNBKHM-SFHVURJKSA-N 2 1 338.499 3.013 20 0 EGADMP O=C(Nc1ccc(F)cc1)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000125092870 454796605 /nfs/dbraw/zinc/79/66/05/454796605.db2.gz JQWHSCKVKBTEKN-UHFFFAOYSA-N 2 1 347.478 3.352 20 0 EGADMP Cc1csc(N2CCC([NH2+]C[C@@H]3CCC[N@H+](C(C)C)C3)CC2)n1 ZINC000125773892 454845879 /nfs/dbraw/zinc/84/58/79/454845879.db2.gz HXQKBPRHLCGKNA-INIZCTEOSA-N 2 1 336.549 3.130 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)c1ccccc1 ZINC000164079427 454874335 /nfs/dbraw/zinc/87/43/35/454874335.db2.gz MNSSELGJCOKCQR-UFYCRDLUSA-N 2 1 343.515 3.012 20 0 EGADMP CCCC[NH+]1CCC(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000164482380 454883474 /nfs/dbraw/zinc/88/34/74/454883474.db2.gz JEBDHTDTLFRGHW-RXVVDRJESA-N 2 1 329.532 3.361 20 0 EGADMP CCCC[NH+]1CCC([NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000164482380 454883477 /nfs/dbraw/zinc/88/34/77/454883477.db2.gz JEBDHTDTLFRGHW-RXVVDRJESA-N 2 1 329.532 3.361 20 0 EGADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000154560419 454907607 /nfs/dbraw/zinc/90/76/07/454907607.db2.gz WGMXMHJLUBXRRL-HUUCEWRRSA-N 2 1 327.513 3.142 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)c2cccnc12 ZINC000166552032 454913311 /nfs/dbraw/zinc/91/33/11/454913311.db2.gz TXKRRIBWGJEHQK-NEPJUHHUSA-N 2 1 334.261 3.166 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Br)c2cccnc12 ZINC000166552032 454913313 /nfs/dbraw/zinc/91/33/13/454913313.db2.gz TXKRRIBWGJEHQK-NEPJUHHUSA-N 2 1 334.261 3.166 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000155370197 454992807 /nfs/dbraw/zinc/99/28/07/454992807.db2.gz XOQPTQXJQNWYOJ-XHBSWPGZSA-N 2 1 343.284 3.449 20 0 EGADMP C[C@H](C[NH+]1CCCCC1)N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000151845301 455039419 /nfs/dbraw/zinc/03/94/19/455039419.db2.gz KEZPOZQBFQELEC-QZTJIDSGSA-N 2 1 333.520 3.152 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000155766138 455042547 /nfs/dbraw/zinc/04/25/47/455042547.db2.gz OKNBJKRPSIORKH-DBXWQHBBSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)C1 ZINC000155766138 455042548 /nfs/dbraw/zinc/04/25/48/455042548.db2.gz OKNBJKRPSIORKH-DBXWQHBBSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)C1 ZINC000155766138 455042551 /nfs/dbraw/zinc/04/25/51/455042551.db2.gz OKNBJKRPSIORKH-DBXWQHBBSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@H](C)C3)cc2)C1 ZINC000155766138 455042553 /nfs/dbraw/zinc/04/25/53/455042553.db2.gz OKNBJKRPSIORKH-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@H](C)C3)cc2)C1 ZINC000155766138 455042555 /nfs/dbraw/zinc/04/25/55/455042555.db2.gz OKNBJKRPSIORKH-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000155766138 455042558 /nfs/dbraw/zinc/04/25/58/455042558.db2.gz OKNBJKRPSIORKH-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000155766138 455042561 /nfs/dbraw/zinc/04/25/61/455042561.db2.gz OKNBJKRPSIORKH-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)C1 ZINC000155766138 455042562 /nfs/dbraw/zinc/04/25/62/455042562.db2.gz OKNBJKRPSIORKH-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)C1 ZINC000155766138 455042565 /nfs/dbraw/zinc/04/25/65/455042565.db2.gz OKNBJKRPSIORKH-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP CC(C)c1noc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000179390671 455043902 /nfs/dbraw/zinc/04/39/02/455043902.db2.gz WCZVWBHXDVMCPA-UHFFFAOYSA-N 2 1 343.475 3.327 20 0 EGADMP CC(C)c1noc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000179390671 455043905 /nfs/dbraw/zinc/04/39/05/455043905.db2.gz WCZVWBHXDVMCPA-UHFFFAOYSA-N 2 1 343.475 3.327 20 0 EGADMP C[C@H](CC[NH2+]C1CCN(CC(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC000156211268 455093282 /nfs/dbraw/zinc/09/32/82/455093282.db2.gz UBTXMUGPHCMIGJ-MRXNPFEDSA-N 2 1 339.474 3.216 20 0 EGADMP COc1ccc(Br)cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623655206 460661761 /nfs/dbraw/zinc/66/17/61/460661761.db2.gz RFFGFRBDUTZTQO-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP COc1ccc(Br)cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623655206 460661764 /nfs/dbraw/zinc/66/17/64/460661764.db2.gz RFFGFRBDUTZTQO-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000156441792 455118861 /nfs/dbraw/zinc/11/88/61/455118861.db2.gz XNWJQYQBKCFOPE-DLBZAZTESA-N 2 1 339.524 3.096 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000623656182 460663664 /nfs/dbraw/zinc/66/36/64/460663664.db2.gz OQUJLRHSNPRSNJ-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP O=C(CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1cccc(F)c1 ZINC000157088267 455164234 /nfs/dbraw/zinc/16/42/34/455164234.db2.gz XLOOUEBTGIABRQ-SFHVURJKSA-N 2 1 333.451 3.105 20 0 EGADMP Cn1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(-c2cccs2)n1 ZINC000180439653 455170274 /nfs/dbraw/zinc/17/02/74/455170274.db2.gz KSUKKEGJWOUWMZ-MRXNPFEDSA-N 2 1 332.517 3.455 20 0 EGADMP Cn1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(-c2cccs2)n1 ZINC000180439653 455170278 /nfs/dbraw/zinc/17/02/78/455170278.db2.gz KSUKKEGJWOUWMZ-MRXNPFEDSA-N 2 1 332.517 3.455 20 0 EGADMP Cn1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(-c2cccs2)n1 ZINC000180439653 455170285 /nfs/dbraw/zinc/17/02/85/455170285.db2.gz KSUKKEGJWOUWMZ-MRXNPFEDSA-N 2 1 332.517 3.455 20 0 EGADMP Cn1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(-c2cccs2)n1 ZINC000180439653 455170291 /nfs/dbraw/zinc/17/02/91/455170291.db2.gz KSUKKEGJWOUWMZ-MRXNPFEDSA-N 2 1 332.517 3.455 20 0 EGADMP C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182824036 455172317 /nfs/dbraw/zinc/17/23/17/455172317.db2.gz MMVYPVXLEVAAER-YVWKXTFCSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182824036 455172322 /nfs/dbraw/zinc/17/23/22/455172322.db2.gz MMVYPVXLEVAAER-YVWKXTFCSA-N 2 1 343.515 3.059 20 0 EGADMP c1cn(CCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000182863766 455179799 /nfs/dbraw/zinc/17/97/99/455179799.db2.gz QNJJPASSZBUQEM-RTWAWAEBSA-N 2 1 338.499 3.260 20 0 EGADMP c1cn(CCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000182863766 455179802 /nfs/dbraw/zinc/17/98/02/455179802.db2.gz QNJJPASSZBUQEM-RTWAWAEBSA-N 2 1 338.499 3.260 20 0 EGADMP c1cn(CCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000182863766 455179807 /nfs/dbraw/zinc/17/98/07/455179807.db2.gz QNJJPASSZBUQEM-RTWAWAEBSA-N 2 1 338.499 3.260 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000245472729 455309481 /nfs/dbraw/zinc/30/94/81/455309481.db2.gz ZLKFIQDPUJCJKX-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](CCCc1nc(-c2ccccc2)no1)CC[C@@H]1CCCC[NH+]1C ZINC000173635406 455319937 /nfs/dbraw/zinc/31/99/37/455319937.db2.gz ZWXOKPTUGVUEHQ-SFHVURJKSA-N 2 1 342.487 3.475 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000245633581 455345303 /nfs/dbraw/zinc/34/53/03/455345303.db2.gz WBNKLMFWBDROLT-NWANDNLSSA-N 2 1 325.522 3.164 20 0 EGADMP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000159022725 455345755 /nfs/dbraw/zinc/34/57/55/455345755.db2.gz WVLCJDLJOSBIAG-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)c1cccs1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245721835 455364542 /nfs/dbraw/zinc/36/45/42/455364542.db2.gz PWLARCFSOHQHEO-DLBZAZTESA-N 2 1 349.544 3.157 20 0 EGADMP CN(CC[N@@H+](C)[C@H]1CCCc2ccc(F)cc21)C1CC[NH+](C)CC1 ZINC000245987877 455410802 /nfs/dbraw/zinc/41/08/02/455410802.db2.gz HNODOTUKGWBTJJ-FQEVSTJZSA-N 2 1 333.495 3.161 20 0 EGADMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)s1 ZINC000182257402 455473773 /nfs/dbraw/zinc/47/37/73/455473773.db2.gz RGUKWIBZULQJEJ-YJBOKZPZSA-N 2 1 330.497 3.474 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000246459435 455493425 /nfs/dbraw/zinc/49/34/25/455493425.db2.gz PSHDMTSDYCNUKR-MHYXUVESSA-N 2 1 346.515 3.384 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000246459435 455493429 /nfs/dbraw/zinc/49/34/29/455493429.db2.gz PSHDMTSDYCNUKR-MHYXUVESSA-N 2 1 346.515 3.384 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000246491572 455500453 /nfs/dbraw/zinc/50/04/53/455500453.db2.gz RZWVKTAPOMZFEF-IAGOWNOFSA-N 2 1 332.488 3.476 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000185224176 455524350 /nfs/dbraw/zinc/52/43/50/455524350.db2.gz HYAPXBDFQNUGCR-BSIFCXSSSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)C[N@H+]1C1CC1 ZINC000185224176 455524356 /nfs/dbraw/zinc/52/43/56/455524356.db2.gz HYAPXBDFQNUGCR-BSIFCXSSSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000185224176 455524361 /nfs/dbraw/zinc/52/43/61/455524361.db2.gz HYAPXBDFQNUGCR-BSIFCXSSSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000185224176 455524368 /nfs/dbraw/zinc/52/43/68/455524368.db2.gz HYAPXBDFQNUGCR-BSIFCXSSSA-N 2 1 327.516 3.112 20 0 EGADMP CN(C)c1cc[nH+]cc1CNC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000185222591 455525027 /nfs/dbraw/zinc/52/50/27/455525027.db2.gz LOAIZXWUMOFFEW-OAQYLSRUSA-N 2 1 338.499 3.148 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000185224138 455525071 /nfs/dbraw/zinc/52/50/71/455525071.db2.gz HYAPXBDFQNUGCR-PBEJRMEISA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)C[N@H+]1C1CC1 ZINC000185224138 455525077 /nfs/dbraw/zinc/52/50/77/455525077.db2.gz HYAPXBDFQNUGCR-PBEJRMEISA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000185224138 455525081 /nfs/dbraw/zinc/52/50/81/455525081.db2.gz HYAPXBDFQNUGCR-PBEJRMEISA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000185224138 455525085 /nfs/dbraw/zinc/52/50/85/455525085.db2.gz HYAPXBDFQNUGCR-PBEJRMEISA-N 2 1 327.516 3.112 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000246837413 455529086 /nfs/dbraw/zinc/52/90/86/455529086.db2.gz ASTCOJCONVHXSV-LRDDRELGSA-N 2 1 343.284 3.451 20 0 EGADMP C[C@@H](C(=O)NC1CCCC1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246990695 455541466 /nfs/dbraw/zinc/54/14/66/455541466.db2.gz OFHCFSGTMJOIHE-FGTMMUONSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)CC(C)C)c2)[C@@H](C)C1 ZINC000247036872 455549454 /nfs/dbraw/zinc/54/94/54/455549454.db2.gz MNWFVKYMJFDXRX-LPHOPBHVSA-N 2 1 331.504 3.491 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)CC(C)C)c2)[C@@H](C)C1 ZINC000247036872 455549458 /nfs/dbraw/zinc/54/94/58/455549458.db2.gz MNWFVKYMJFDXRX-LPHOPBHVSA-N 2 1 331.504 3.491 20 0 EGADMP CC[C@H](C)NC(=O)c1cccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000247046537 455550660 /nfs/dbraw/zinc/55/06/60/455550660.db2.gz NAUKKYNUEQMMCO-YIOZNXECSA-N 2 1 331.504 3.033 20 0 EGADMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000247046537 455550672 /nfs/dbraw/zinc/55/06/72/455550672.db2.gz NAUKKYNUEQMMCO-YIOZNXECSA-N 2 1 331.504 3.033 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCC(C)CC3)nc2)[C@@H](C)C1 ZINC000247061488 455553840 /nfs/dbraw/zinc/55/38/40/455553840.db2.gz NVPVXKHDXXWWHP-HKUYNNGSSA-N 2 1 330.520 3.138 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCC(C)CC3)nc2)[C@@H](C)C1 ZINC000247061488 455553841 /nfs/dbraw/zinc/55/38/41/455553841.db2.gz NVPVXKHDXXWWHP-HKUYNNGSSA-N 2 1 330.520 3.138 20 0 EGADMP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC(F)F ZINC000247110158 455560927 /nfs/dbraw/zinc/56/09/27/455560927.db2.gz TTYPJQSYSLMEKZ-KCQAQPDRSA-N 2 1 342.430 3.157 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000247188175 455570290 /nfs/dbraw/zinc/57/02/90/455570290.db2.gz ZRCAKAMNYGLFRE-BBRMVZONSA-N 2 1 330.394 3.404 20 0 EGADMP C[C@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668072 455592711 /nfs/dbraw/zinc/59/27/11/455592711.db2.gz ZORBVYMCKNAHPR-IRXDYDNUSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185668072 455592714 /nfs/dbraw/zinc/59/27/14/455592714.db2.gz ZORBVYMCKNAHPR-IRXDYDNUSA-N 2 1 347.547 3.163 20 0 EGADMP COc1cccc(OCC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185672692 455593840 /nfs/dbraw/zinc/59/38/40/455593840.db2.gz GBHUPBKMGYZXQP-DLBZAZTESA-N 2 1 332.488 3.317 20 0 EGADMP C[C@@H]([NH2+]CC(=O)NCCC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185696873 455599856 /nfs/dbraw/zinc/59/98/56/455599856.db2.gz DGUXXBULRXRVET-IEBWSBKVSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H]([NH2+]CC(=O)NCCC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185696873 455599860 /nfs/dbraw/zinc/59/98/60/455599860.db2.gz DGUXXBULRXRVET-IEBWSBKVSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000268152549 455603825 /nfs/dbraw/zinc/60/38/25/455603825.db2.gz RQIHPRXWAQHDMM-HNNXBMFYSA-N 2 1 337.533 3.052 20 0 EGADMP CCN(C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000185734930 455610088 /nfs/dbraw/zinc/61/00/88/455610088.db2.gz OOMJTIUDAPRKKW-MSOLQXFVSA-N 2 1 343.515 3.282 20 0 EGADMP CCN(C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000185734930 455610092 /nfs/dbraw/zinc/61/00/92/455610092.db2.gz OOMJTIUDAPRKKW-MSOLQXFVSA-N 2 1 343.515 3.282 20 0 EGADMP COc1cccc2c1CC[C@@H]([NH2+]C1CC[NH+](CCOC(C)C)CC1)C2 ZINC000192444087 455618036 /nfs/dbraw/zinc/61/80/36/455618036.db2.gz RKHLHALOPCRBAO-LJQANCHMSA-N 2 1 346.515 3.032 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000284157377 455644163 /nfs/dbraw/zinc/64/41/63/455644163.db2.gz ZTVQURODNFLAAT-UHFFFAOYSA-N 2 1 343.862 3.270 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc2ccccc2o1 ZINC000271517065 455668348 /nfs/dbraw/zinc/66/83/48/455668348.db2.gz OWCHIWVLWDIHCV-JCGIZDLHSA-N 2 1 328.456 3.461 20 0 EGADMP COc1ccsc1[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000186187608 455712772 /nfs/dbraw/zinc/71/27/72/455712772.db2.gz BOHYIWRNWKBFSG-CYBMUJFWSA-N 2 1 346.500 3.483 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000248826460 455732908 /nfs/dbraw/zinc/73/29/08/455732908.db2.gz GZELTQJUKYRTCJ-PKOBYXMFSA-N 2 1 348.531 3.449 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000268996746 455758117 /nfs/dbraw/zinc/75/81/17/455758117.db2.gz IIKSZIGSEHGANT-MNEFBYGVSA-N 2 1 330.497 3.424 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000268996746 455758122 /nfs/dbraw/zinc/75/81/22/455758122.db2.gz IIKSZIGSEHGANT-MNEFBYGVSA-N 2 1 330.497 3.424 20 0 EGADMP c1cc2c(cc1[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1)OCCO2 ZINC000193458407 455760453 /nfs/dbraw/zinc/76/04/53/455760453.db2.gz BEBBIFHHLKWNBF-SFHVURJKSA-N 2 1 330.472 3.471 20 0 EGADMP c1cc2c(cc1[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1)OCCO2 ZINC000193458407 455760456 /nfs/dbraw/zinc/76/04/56/455760456.db2.gz BEBBIFHHLKWNBF-SFHVURJKSA-N 2 1 330.472 3.471 20 0 EGADMP CCOc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)ccc1OCC(C)C ZINC000271809184 455768879 /nfs/dbraw/zinc/76/88/79/455768879.db2.gz BFFHTHARJBPCEX-UHFFFAOYSA-N 2 1 332.488 3.472 20 0 EGADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc(OC)c1OC ZINC000269047069 455774739 /nfs/dbraw/zinc/77/47/39/455774739.db2.gz VBIKSWSRRUMSRO-CQSZACIVSA-N 2 1 348.487 3.380 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CCSCC1 ZINC000249962389 455783660 /nfs/dbraw/zinc/78/36/60/455783660.db2.gz JUOJHTHGVKKPNY-JXFKEZNVSA-N 2 1 348.556 3.265 20 0 EGADMP Cc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)on1 ZINC000269081632 455786078 /nfs/dbraw/zinc/78/60/78/455786078.db2.gz ZRYZTWUAJWTVHC-QUCCMNQESA-N 2 1 325.456 3.470 20 0 EGADMP C[C@@H](CCO)C1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000271872433 455794050 /nfs/dbraw/zinc/79/40/50/455794050.db2.gz MZBYAAVOWLGBLX-SFHVURJKSA-N 2 1 330.516 3.429 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000269193775 455808854 /nfs/dbraw/zinc/80/88/54/455808854.db2.gz STNCPNBPYCZAHY-INIZCTEOSA-N 2 1 325.456 3.255 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000269193775 455808856 /nfs/dbraw/zinc/80/88/56/455808856.db2.gz STNCPNBPYCZAHY-INIZCTEOSA-N 2 1 325.456 3.255 20 0 EGADMP C[N@H+](C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285379743 455833275 /nfs/dbraw/zinc/83/32/75/455833275.db2.gz CSLZUPWVLSTARB-WFFDWFOESA-N 2 1 347.890 3.390 20 0 EGADMP C[N@@H+](C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285379743 455833278 /nfs/dbraw/zinc/83/32/78/455833278.db2.gz CSLZUPWVLSTARB-WFFDWFOESA-N 2 1 347.890 3.390 20 0 EGADMP C[NH+](C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285379743 455833283 /nfs/dbraw/zinc/83/32/83/455833283.db2.gz CSLZUPWVLSTARB-WFFDWFOESA-N 2 1 347.890 3.390 20 0 EGADMP C[NH+](C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285379743 455833287 /nfs/dbraw/zinc/83/32/87/455833287.db2.gz CSLZUPWVLSTARB-WFFDWFOESA-N 2 1 347.890 3.390 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2=CC[NH+](C)CC2)CC1 ZINC000285462695 455850302 /nfs/dbraw/zinc/85/03/02/455850302.db2.gz ZYFJONBVTVASSD-UHFFFAOYSA-N 3 1 327.516 3.281 20 0 EGADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]CC2=CC[N@H+](C)CC2)CC1 ZINC000285462695 455850305 /nfs/dbraw/zinc/85/03/05/455850305.db2.gz ZYFJONBVTVASSD-UHFFFAOYSA-N 3 1 327.516 3.281 20 0 EGADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000285462695 455850309 /nfs/dbraw/zinc/85/03/09/455850309.db2.gz ZYFJONBVTVASSD-UHFFFAOYSA-N 3 1 327.516 3.281 20 0 EGADMP COCc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000272185851 455870511 /nfs/dbraw/zinc/87/05/11/455870511.db2.gz KZDCAMWYYSDRKA-FUHWJXTLSA-N 2 1 328.456 3.426 20 0 EGADMP COCc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000272185851 455870514 /nfs/dbraw/zinc/87/05/14/455870514.db2.gz KZDCAMWYYSDRKA-FUHWJXTLSA-N 2 1 328.456 3.426 20 0 EGADMP C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272227421 455883812 /nfs/dbraw/zinc/88/38/12/455883812.db2.gz QURHTCMMOHHZEH-RCZSKKKRSA-N 2 1 338.495 3.394 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H]1c1ccccc1 ZINC000261604143 455911065 /nfs/dbraw/zinc/91/10/65/455911065.db2.gz AUQKZFBOJWAFLD-YADHBBJMSA-N 2 1 346.478 3.106 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCc3nc(Cl)ccc32)CCCO1 ZINC000296393660 455926129 /nfs/dbraw/zinc/92/61/29/455926129.db2.gz JZVDWWQKVORONF-HOCLYGCPSA-N 2 1 337.895 3.203 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3nc(Cl)ccc32)CCCO1 ZINC000296393660 455926133 /nfs/dbraw/zinc/92/61/33/455926133.db2.gz JZVDWWQKVORONF-HOCLYGCPSA-N 2 1 337.895 3.203 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000261706646 455932787 /nfs/dbraw/zinc/93/27/87/455932787.db2.gz IWFHABWCLMPJSC-FFZOFVMBSA-N 2 1 343.515 3.052 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000261790111 455949144 /nfs/dbraw/zinc/94/91/44/455949144.db2.gz KXQIAWRMMPWUMJ-GOEBONIOSA-N 2 1 337.533 3.012 20 0 EGADMP Cc1nn(C)c(C)c1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272441446 455953157 /nfs/dbraw/zinc/95/31/57/455953157.db2.gz ISHQARVRKNPJFZ-KXBFYZLASA-N 2 1 326.488 3.037 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000261886489 455966165 /nfs/dbraw/zinc/96/61/65/455966165.db2.gz VGMLBBGRXSCEGO-MJGOQNOKSA-N 2 1 343.515 3.067 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2nccn2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000261925593 455973222 /nfs/dbraw/zinc/97/32/22/455973222.db2.gz KZBDJJSDQBPAFS-QUCCMNQESA-N 2 1 332.451 3.047 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2nccn2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000261925593 455973225 /nfs/dbraw/zinc/97/32/25/455973225.db2.gz KZBDJJSDQBPAFS-QUCCMNQESA-N 2 1 332.451 3.047 20 0 EGADMP CCC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000296584260 455981235 /nfs/dbraw/zinc/98/12/35/455981235.db2.gz XATQZQWKVRCITH-SJORKVTESA-N 2 1 331.504 3.065 20 0 EGADMP Clc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1Cl ZINC000262010223 455985519 /nfs/dbraw/zinc/98/55/19/455985519.db2.gz VLIYNYBMVBIVLA-FVQBIDKESA-N 2 1 343.298 3.283 20 0 EGADMP CC(C)N(C)c1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000262034412 455987570 /nfs/dbraw/zinc/98/75/70/455987570.db2.gz XOSAJXOHDXGKHP-UXHICEINSA-N 2 1 338.499 3.101 20 0 EGADMP Cc1ncsc1CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272608417 456012309 /nfs/dbraw/zinc/01/23/09/456012309.db2.gz ZLHKQYDFGXRHLC-CRAIPNDOSA-N 2 1 329.513 3.494 20 0 EGADMP Cn1cc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000286295071 456018079 /nfs/dbraw/zinc/01/80/79/456018079.db2.gz WJUGOIGJBAKAIF-QHAWAJNXSA-N 2 1 338.499 3.201 20 0 EGADMP Clc1c2ccccc2sc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000262451128 456037123 /nfs/dbraw/zinc/03/71/23/456037123.db2.gz HTAYNHJKIQUCPI-ZDUSSCGKSA-N 2 1 335.904 3.034 20 0 EGADMP CCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000236818900 456188967 /nfs/dbraw/zinc/18/89/67/456188967.db2.gz LEOCEMQTTOCTFP-APWZRJJASA-N 2 1 331.504 3.052 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CC2([NH3+])CCC2)c1 ZINC000236828483 456190361 /nfs/dbraw/zinc/19/03/61/456190361.db2.gz WCXLVCJJFFLMPD-UHFFFAOYSA-N 2 1 326.444 3.265 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)C[C@H](C)O1 ZINC000281344578 456208634 /nfs/dbraw/zinc/20/86/34/456208634.db2.gz UXQLDKMDPLPBOO-ZRGWGRIASA-N 2 1 335.467 3.151 20 0 EGADMP C[C@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000290157344 456255290 /nfs/dbraw/zinc/25/52/90/456255290.db2.gz LQZVSMDPXSQLAW-HKUYNNGSSA-N 2 1 326.488 3.373 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000290157344 456255295 /nfs/dbraw/zinc/25/52/95/456255295.db2.gz LQZVSMDPXSQLAW-HKUYNNGSSA-N 2 1 326.488 3.373 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000290157344 456255297 /nfs/dbraw/zinc/25/52/97/456255297.db2.gz LQZVSMDPXSQLAW-HKUYNNGSSA-N 2 1 326.488 3.373 20 0 EGADMP CC(C)c1nc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(N(C)C)n1 ZINC000302061875 456277930 /nfs/dbraw/zinc/27/79/30/456277930.db2.gz UDINRCUCSRUKIT-LSDHHAIUSA-N 2 1 346.523 3.126 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000290305538 456285627 /nfs/dbraw/zinc/28/56/27/456285627.db2.gz BRNNDKIMGZFSTA-UTKZUKDTSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000290305538 456285636 /nfs/dbraw/zinc/28/56/36/456285636.db2.gz BRNNDKIMGZFSTA-UTKZUKDTSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000290305538 456285644 /nfs/dbraw/zinc/28/56/44/456285644.db2.gz BRNNDKIMGZFSTA-UTKZUKDTSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000290305538 456285652 /nfs/dbraw/zinc/28/56/52/456285652.db2.gz BRNNDKIMGZFSTA-UTKZUKDTSA-N 2 1 339.483 3.433 20 0 EGADMP COc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1Br ZINC000290308781 456286655 /nfs/dbraw/zinc/28/66/55/456286655.db2.gz BZIGSZDIOKFXGP-DOMZBBRYSA-N 2 1 341.293 3.230 20 0 EGADMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1Br ZINC000290308781 456286660 /nfs/dbraw/zinc/28/66/60/456286660.db2.gz BZIGSZDIOKFXGP-DOMZBBRYSA-N 2 1 341.293 3.230 20 0 EGADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1Br ZINC000290308781 456286665 /nfs/dbraw/zinc/28/66/65/456286665.db2.gz BZIGSZDIOKFXGP-DOMZBBRYSA-N 2 1 341.293 3.230 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2-n2cccn2)C[C@H]1c1ccccc1 ZINC000340173129 456289749 /nfs/dbraw/zinc/28/97/49/456289749.db2.gz OOGSKDGBUHSTBG-UXHICEINSA-N 2 1 347.466 3.192 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2-n2cccn2)C[C@H]1c1ccccc1 ZINC000340173129 456289752 /nfs/dbraw/zinc/28/97/52/456289752.db2.gz OOGSKDGBUHSTBG-UXHICEINSA-N 2 1 347.466 3.192 20 0 EGADMP Clc1ccc2c(n1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000297836665 456305685 /nfs/dbraw/zinc/30/56/85/456305685.db2.gz SCMZITABDCKTAC-RHSMWYFYSA-N 2 1 349.906 3.203 20 0 EGADMP Cc1noc(C)c1CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336793339 456310286 /nfs/dbraw/zinc/31/02/86/456310286.db2.gz WHUYMGQLFBOXGZ-VQTJNVASSA-N 2 1 339.483 3.288 20 0 EGADMP Cc1noc(C)c1CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336793339 456310290 /nfs/dbraw/zinc/31/02/90/456310290.db2.gz WHUYMGQLFBOXGZ-VQTJNVASSA-N 2 1 339.483 3.288 20 0 EGADMP Cc1noc(C)c1CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336793339 456310292 /nfs/dbraw/zinc/31/02/92/456310292.db2.gz WHUYMGQLFBOXGZ-VQTJNVASSA-N 2 1 339.483 3.288 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)C[C@@H]1c1ccccc1 ZINC000340205311 456315205 /nfs/dbraw/zinc/31/52/05/456315205.db2.gz PGDWWFUISRQKMB-UYAOXDASSA-N 2 1 328.431 3.243 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)C[C@@H]1c1ccccc1 ZINC000340205311 456315207 /nfs/dbraw/zinc/31/52/07/456315207.db2.gz PGDWWFUISRQKMB-UYAOXDASSA-N 2 1 328.431 3.243 20 0 EGADMP CC(C)COc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000342926242 456318677 /nfs/dbraw/zinc/31/86/77/456318677.db2.gz KWPPQPUQENIOGC-HLAWJBBLSA-N 2 1 346.515 3.405 20 0 EGADMP CC(C)COc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000342926242 456318686 /nfs/dbraw/zinc/31/86/86/456318686.db2.gz KWPPQPUQENIOGC-HLAWJBBLSA-N 2 1 346.515 3.405 20 0 EGADMP CSC1(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)CCC1 ZINC000290416698 456322474 /nfs/dbraw/zinc/32/24/74/456322474.db2.gz LVKLWJNFEATFIB-UHFFFAOYSA-N 2 1 347.572 3.022 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000290416350 456322612 /nfs/dbraw/zinc/32/26/12/456322612.db2.gz KJVWLOPVEUBVCW-IEBWSBKVSA-N 2 1 338.455 3.185 20 0 EGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000290416350 456322616 /nfs/dbraw/zinc/32/26/16/456322616.db2.gz KJVWLOPVEUBVCW-IEBWSBKVSA-N 2 1 338.455 3.185 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000297908797 456322706 /nfs/dbraw/zinc/32/27/06/456322706.db2.gz SENWSHMAVXJOBQ-GOSISDBHSA-N 2 1 345.531 3.218 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000297908797 456322710 /nfs/dbraw/zinc/32/27/10/456322710.db2.gz SENWSHMAVXJOBQ-GOSISDBHSA-N 2 1 345.531 3.218 20 0 EGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000290416350 456322620 /nfs/dbraw/zinc/32/26/20/456322620.db2.gz KJVWLOPVEUBVCW-IEBWSBKVSA-N 2 1 338.455 3.185 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc3c(c2)nnn3C)C1 ZINC000352806828 456325356 /nfs/dbraw/zinc/32/53/56/456325356.db2.gz VWNCNLSCDBUHFR-SJLPKXTDSA-N 2 1 341.503 3.055 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc3c(c2)nnn3C)C1 ZINC000352806828 456325362 /nfs/dbraw/zinc/32/53/62/456325362.db2.gz VWNCNLSCDBUHFR-SJLPKXTDSA-N 2 1 341.503 3.055 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)nnn3C)C1 ZINC000352806828 456325369 /nfs/dbraw/zinc/32/53/69/456325369.db2.gz VWNCNLSCDBUHFR-SJLPKXTDSA-N 2 1 341.503 3.055 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)nnn3C)C1 ZINC000352806828 456325373 /nfs/dbraw/zinc/32/53/73/456325373.db2.gz VWNCNLSCDBUHFR-SJLPKXTDSA-N 2 1 341.503 3.055 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2cccs2)C[C@@H]1C ZINC000342939771 456325992 /nfs/dbraw/zinc/32/59/92/456325992.db2.gz QAMZLNXOJWYJLH-HOCLYGCPSA-N 2 1 332.517 3.453 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2cccs2)C[C@@H]1C ZINC000342939771 456326000 /nfs/dbraw/zinc/32/60/00/456326000.db2.gz QAMZLNXOJWYJLH-HOCLYGCPSA-N 2 1 332.517 3.453 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2cccs2)C[C@@H]1C ZINC000342939771 456326007 /nfs/dbraw/zinc/32/60/07/456326007.db2.gz QAMZLNXOJWYJLH-HOCLYGCPSA-N 2 1 332.517 3.453 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2cccs2)C[C@@H]1C ZINC000342939771 456326014 /nfs/dbraw/zinc/32/60/14/456326014.db2.gz QAMZLNXOJWYJLH-HOCLYGCPSA-N 2 1 332.517 3.453 20 0 EGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000290440852 456330214 /nfs/dbraw/zinc/33/02/14/456330214.db2.gz LVFKNWDYKGFRCI-WMZOPIPTSA-N 2 1 330.472 3.248 20 0 EGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000290440852 456330218 /nfs/dbraw/zinc/33/02/18/456330218.db2.gz LVFKNWDYKGFRCI-WMZOPIPTSA-N 2 1 330.472 3.248 20 0 EGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000290440852 456330226 /nfs/dbraw/zinc/33/02/26/456330226.db2.gz LVFKNWDYKGFRCI-WMZOPIPTSA-N 2 1 330.472 3.248 20 0 EGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(C2CC2)c1 ZINC000340234232 456330228 /nfs/dbraw/zinc/33/02/28/456330228.db2.gz HPGDTTKLGKOXGF-QGZVFWFLSA-N 2 1 329.532 3.488 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000340244451 456337344 /nfs/dbraw/zinc/33/73/44/456337344.db2.gz AMJWOCWQYIZFDS-VQTJNVASSA-N 2 1 326.488 3.397 20 0 EGADMP c1[nH]c2nccnc2c1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000290581813 456372862 /nfs/dbraw/zinc/37/28/62/456372862.db2.gz ZOICIQLGWHELFG-MRXNPFEDSA-N 2 1 327.476 3.046 20 0 EGADMP c1[nH]c2nccnc2c1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000290581813 456372869 /nfs/dbraw/zinc/37/28/69/456372869.db2.gz ZOICIQLGWHELFG-MRXNPFEDSA-N 2 1 327.476 3.046 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2cnc(C3CC3)nc2)C[C@@H]1c1ccccc1 ZINC000340312643 456380520 /nfs/dbraw/zinc/38/05/20/456380520.db2.gz KQIKHCVAWDBFCE-VQTJNVASSA-N 2 1 336.483 3.322 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cnc(C3CC3)nc2)C[C@@H]1c1ccccc1 ZINC000340312643 456380525 /nfs/dbraw/zinc/38/05/25/456380525.db2.gz KQIKHCVAWDBFCE-VQTJNVASSA-N 2 1 336.483 3.322 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000340318191 456384808 /nfs/dbraw/zinc/38/48/08/456384808.db2.gz OFOFQXRWFSAXHN-ACRUOGEOSA-N 2 1 342.458 3.154 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000340318191 456384814 /nfs/dbraw/zinc/38/48/14/456384814.db2.gz OFOFQXRWFSAXHN-ACRUOGEOSA-N 2 1 342.458 3.154 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(COCCOC)cc2)C[C@@H]1C ZINC000347866603 456414464 /nfs/dbraw/zinc/41/44/64/456414464.db2.gz PKRWOYGYYPMQBQ-PXNSSMCTSA-N 2 1 334.504 3.154 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(COCCOC)cc2)C[C@@H]1C ZINC000347866603 456414467 /nfs/dbraw/zinc/41/44/67/456414467.db2.gz PKRWOYGYYPMQBQ-PXNSSMCTSA-N 2 1 334.504 3.154 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(COCCOC)cc2)C[C@@H]1C ZINC000347866603 456414474 /nfs/dbraw/zinc/41/44/74/456414474.db2.gz PKRWOYGYYPMQBQ-PXNSSMCTSA-N 2 1 334.504 3.154 20 0 EGADMP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000347890726 456424533 /nfs/dbraw/zinc/42/45/33/456424533.db2.gz ASMWUZJCEBFGGG-JKSUJKDBSA-N 2 1 329.419 3.063 20 0 EGADMP CN(C)c1cc[nH+]cc1CNCC1([NH+]2CCCCC2)CCCCC1 ZINC000352998131 456437491 /nfs/dbraw/zinc/43/74/91/456437491.db2.gz BPACTXBNZHTGGB-UHFFFAOYSA-N 2 1 330.520 3.426 20 0 EGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1C(F)(F)F ZINC000282203716 456443087 /nfs/dbraw/zinc/44/30/87/456443087.db2.gz GZOYEZLNEZBOIO-AWEZNQCLSA-N 2 1 343.437 3.382 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000303514340 456465279 /nfs/dbraw/zinc/46/52/79/456465279.db2.gz DGDCNNABTATLSF-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(OCC)CCCC2)[C@H](C)C1 ZINC000340466187 456475598 /nfs/dbraw/zinc/47/55/98/456475598.db2.gz PTRXKWDERUTZSU-QZTJIDSGSA-N 2 1 326.525 3.062 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(OCC)CCCC2)[C@@H](C)C1 ZINC000340466188 456476326 /nfs/dbraw/zinc/47/63/26/456476326.db2.gz PTRXKWDERUTZSU-ROUUACIJSA-N 2 1 326.525 3.062 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)nc1 ZINC000282376557 456494358 /nfs/dbraw/zinc/49/43/58/456494358.db2.gz CODLFVOYTYBCQM-FQEVSTJZSA-N 2 1 339.483 3.481 20 0 EGADMP CC(C)CC(=O)Nc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298582587 456494868 /nfs/dbraw/zinc/49/48/68/456494868.db2.gz XWTHPQVETJSVAU-UHFFFAOYSA-N 2 1 329.488 3.388 20 0 EGADMP CCC(O)(CC)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000276671677 456548111 /nfs/dbraw/zinc/54/81/11/456548111.db2.gz PHKALIYWUCFXFR-UHFFFAOYSA-N 2 1 336.495 3.363 20 0 EGADMP CC(C)(C)OC(=O)N1CCC(C[NH2+]C(C)(C)C[NH+]2CCCC2)CC1 ZINC000308642107 456572073 /nfs/dbraw/zinc/57/20/73/456572073.db2.gz QQVSJXRPBDEFMR-UHFFFAOYSA-N 2 1 339.524 3.098 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N2CCCc3ccccc32)C[C@H]1C ZINC000348254727 456573443 /nfs/dbraw/zinc/57/34/43/456573443.db2.gz FTQJAMGEKCZALA-MJGOQNOKSA-N 2 1 343.515 3.161 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N2CCCc3ccccc32)C[C@H]1C ZINC000348254727 456573448 /nfs/dbraw/zinc/57/34/48/456573448.db2.gz FTQJAMGEKCZALA-MJGOQNOKSA-N 2 1 343.515 3.161 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N2CCCc3ccccc32)C[C@H]1C ZINC000348254727 456573453 /nfs/dbraw/zinc/57/34/53/456573453.db2.gz FTQJAMGEKCZALA-MJGOQNOKSA-N 2 1 343.515 3.161 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)CC1 ZINC000310002829 456578776 /nfs/dbraw/zinc/57/87/76/456578776.db2.gz FZYORPLOHVNNSP-HNNXBMFYSA-N 2 1 327.513 3.144 20 0 EGADMP CC1(C)CC[C@H](C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000310274859 456581072 /nfs/dbraw/zinc/58/10/72/456581072.db2.gz OGXAUJOJHJMBQD-SLFFLAALSA-N 2 1 328.500 3.398 20 0 EGADMP CC1(C)CC[C@H](C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000310274859 456581077 /nfs/dbraw/zinc/58/10/77/456581077.db2.gz OGXAUJOJHJMBQD-SLFFLAALSA-N 2 1 328.500 3.398 20 0 EGADMP CC1(C)CC[C@H](C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000310274859 456581084 /nfs/dbraw/zinc/58/10/84/456581084.db2.gz OGXAUJOJHJMBQD-SLFFLAALSA-N 2 1 328.500 3.398 20 0 EGADMP COC(=O)C1CCC([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000310934586 456585583 /nfs/dbraw/zinc/58/55/83/456585583.db2.gz IDSRSPQVJOXAPH-OTBHMBEGSA-N 2 1 344.499 3.218 20 0 EGADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC)CC2)c2ccccc21 ZINC000282751350 456613515 /nfs/dbraw/zinc/61/35/15/456613515.db2.gz ATBBXZWVDBWXDL-OALUTQOASA-N 2 1 330.472 3.242 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000348323124 456621266 /nfs/dbraw/zinc/62/12/66/456621266.db2.gz JJKSHEBZRLMBKZ-DBVUQKKJSA-N 2 1 333.520 3.006 20 0 EGADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccccc2Cl)n1 ZINC000343488263 456653339 /nfs/dbraw/zinc/65/33/39/456653339.db2.gz OALDPDXJCYQKTF-HZPDHXFCSA-N 2 1 344.890 3.457 20 0 EGADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccccc2Cl)n1 ZINC000343488263 456653346 /nfs/dbraw/zinc/65/33/46/456653346.db2.gz OALDPDXJCYQKTF-HZPDHXFCSA-N 2 1 344.890 3.457 20 0 EGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000353375890 456659625 /nfs/dbraw/zinc/65/96/25/456659625.db2.gz BRBSLSPKUZJAQU-UHFFFAOYSA-N 2 1 347.894 3.225 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000353375890 456659632 /nfs/dbraw/zinc/65/96/32/456659632.db2.gz BRBSLSPKUZJAQU-UHFFFAOYSA-N 2 1 347.894 3.225 20 0 EGADMP CCN1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000343497161 456660788 /nfs/dbraw/zinc/66/07/88/456660788.db2.gz JYIZNRVHWYGSLO-LVCYWYKZSA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000343497161 456660797 /nfs/dbraw/zinc/66/07/97/456660797.db2.gz JYIZNRVHWYGSLO-LVCYWYKZSA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@H+]1C[C@H](C)[C@H](NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000343497161 456660801 /nfs/dbraw/zinc/66/08/01/456660801.db2.gz JYIZNRVHWYGSLO-LVCYWYKZSA-N 2 1 329.532 3.348 20 0 EGADMP CC[NH+]1C[C@H](C)[C@H](NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000343497161 456660807 /nfs/dbraw/zinc/66/08/07/456660807.db2.gz JYIZNRVHWYGSLO-LVCYWYKZSA-N 2 1 329.532 3.348 20 0 EGADMP CC[NH+]1C[C@H](C)[C@H](NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000343497161 456660811 /nfs/dbraw/zinc/66/08/11/456660811.db2.gz JYIZNRVHWYGSLO-LVCYWYKZSA-N 2 1 329.532 3.348 20 0 EGADMP Cc1sc2nc([C@@H](C)[NH+]3CCC(C[NH+](C)C)CC3)nc(N)c2c1C ZINC000340763265 456673931 /nfs/dbraw/zinc/67/39/31/456673931.db2.gz HQLZBEJGDZEKER-GFCCVEGCSA-N 2 1 347.532 3.225 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000338189417 456693779 /nfs/dbraw/zinc/69/37/79/456693779.db2.gz HJFIINKRYDGRIU-NRFANRHFSA-N 2 1 338.499 3.470 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]3(C)CCC[NH2+]C3)cc2)C1 ZINC000353502766 456720964 /nfs/dbraw/zinc/72/09/64/456720964.db2.gz RDQTXJRAANEIOB-OXJNMPFZSA-N 2 1 329.488 3.247 20 0 EGADMP CCc1nnc([C@H](C)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000328655546 456729126 /nfs/dbraw/zinc/72/91/26/456729126.db2.gz MZRMHJZUYRYFBE-KBPBESRZSA-N 2 1 329.448 3.105 20 0 EGADMP CC(C)Cc1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000353516739 456729569 /nfs/dbraw/zinc/72/95/69/456729569.db2.gz JMCDGQGZGBQNTG-YLJYHZDGSA-N 2 1 345.531 3.123 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)cc1)C(C)C ZINC000299621780 456746816 /nfs/dbraw/zinc/74/68/16/456746816.db2.gz DWYLWHJGEBGZLY-VQTJNVASSA-N 2 1 343.515 3.274 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1)C(C)C ZINC000299621780 456746823 /nfs/dbraw/zinc/74/68/23/456746823.db2.gz DWYLWHJGEBGZLY-VQTJNVASSA-N 2 1 343.515 3.274 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1)C(C)C ZINC000299621780 456746829 /nfs/dbraw/zinc/74/68/29/456746829.db2.gz DWYLWHJGEBGZLY-VQTJNVASSA-N 2 1 343.515 3.274 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)Cc2cnc3c(cnn3C(C)C)c2)C[C@H]1C ZINC000353751979 456890085 /nfs/dbraw/zinc/89/00/85/456890085.db2.gz QYCKBDXBIKYCEM-QAPCUYQASA-N 2 1 329.492 3.317 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc3c(cnn3C(C)C)c2)C[C@H]1C ZINC000353751979 456890089 /nfs/dbraw/zinc/89/00/89/456890089.db2.gz QYCKBDXBIKYCEM-QAPCUYQASA-N 2 1 329.492 3.317 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc3c(cnn3C(C)C)c2)C[C@H]1C ZINC000353751979 456890093 /nfs/dbraw/zinc/89/00/93/456890093.db2.gz QYCKBDXBIKYCEM-QAPCUYQASA-N 2 1 329.492 3.317 20 0 EGADMP CC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1nccn1C ZINC000341691768 456901896 /nfs/dbraw/zinc/90/18/96/456901896.db2.gz BAWXJVUPGBGOPA-IBGZPJMESA-N 2 1 342.487 3.136 20 0 EGADMP CCc1nc(C(C)C)ccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000339045555 456913731 /nfs/dbraw/zinc/91/37/31/456913731.db2.gz UXEDCOZMXBYEDN-JRGCBEDISA-N 2 1 345.531 3.451 20 0 EGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000339045555 456913733 /nfs/dbraw/zinc/91/37/33/456913733.db2.gz UXEDCOZMXBYEDN-JRGCBEDISA-N 2 1 345.531 3.451 20 0 EGADMP CCc1nc(C(C)C)ccc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000339055122 456918361 /nfs/dbraw/zinc/91/83/61/456918361.db2.gz WQYFUXNHCPFCDJ-UHFFFAOYSA-N 2 1 346.563 3.225 20 0 EGADMP CCc1nc(C(C)C)ccc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000339055122 456918363 /nfs/dbraw/zinc/91/83/63/456918363.db2.gz WQYFUXNHCPFCDJ-UHFFFAOYSA-N 2 1 346.563 3.225 20 0 EGADMP C[NH+](C)[C@@H](CNc1cc[nH+]cc1Br)c1ccsc1 ZINC000341743869 456924375 /nfs/dbraw/zinc/92/43/75/456924375.db2.gz QJEPQXLOUUCZFH-ZDUSSCGKSA-N 2 1 326.263 3.042 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N1CCC[NH+](CC2CCC2)CC1)c1ccccc1 ZINC000339199483 456988087 /nfs/dbraw/zinc/98/80/87/456988087.db2.gz QJWSGLTZSSBXEA-FQEVSTJZSA-N 2 1 343.515 3.014 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[NH+](CC2CCC2)CC1)c1ccccc1 ZINC000339199483 456988094 /nfs/dbraw/zinc/98/80/94/456988094.db2.gz QJWSGLTZSSBXEA-FQEVSTJZSA-N 2 1 343.515 3.014 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)c1ccccc1 ZINC000339199483 456988098 /nfs/dbraw/zinc/98/80/98/456988098.db2.gz QJWSGLTZSSBXEA-FQEVSTJZSA-N 2 1 343.515 3.014 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)c1ccccc1 ZINC000339199483 456988104 /nfs/dbraw/zinc/98/81/04/456988104.db2.gz QJWSGLTZSSBXEA-FQEVSTJZSA-N 2 1 343.515 3.014 20 0 EGADMP c1nn2ccccc2c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000356529882 457039122 /nfs/dbraw/zinc/03/91/22/457039122.db2.gz QEVABOVMPCGWGO-TZIWHRDSSA-N 2 1 346.478 3.288 20 0 EGADMP c1nn2ccccc2c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000356529882 457039126 /nfs/dbraw/zinc/03/91/26/457039126.db2.gz QEVABOVMPCGWGO-TZIWHRDSSA-N 2 1 346.478 3.288 20 0 EGADMP c1nn2ccccc2c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000356529882 457039131 /nfs/dbraw/zinc/03/91/31/457039131.db2.gz QEVABOVMPCGWGO-TZIWHRDSSA-N 2 1 346.478 3.288 20 0 EGADMP c1nn2ccccc2c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000356529882 457039136 /nfs/dbraw/zinc/03/91/36/457039136.db2.gz QEVABOVMPCGWGO-TZIWHRDSSA-N 2 1 346.478 3.288 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000354096729 457059854 /nfs/dbraw/zinc/05/98/54/457059854.db2.gz LDDVJCBAAGBXED-LJQANCHMSA-N 2 1 342.487 3.009 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccccc2OC(C)C)C1 ZINC000354098160 457060908 /nfs/dbraw/zinc/06/09/08/457060908.db2.gz VDZKQQABEARMGN-LJQANCHMSA-N 2 1 334.504 3.407 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359288810 457071954 /nfs/dbraw/zinc/07/19/54/457071954.db2.gz NHSBWEGOSYJICP-UGSOOPFHSA-N 2 1 329.444 3.304 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCc3ccccc32)[C@@H](C)C1 ZINC000346603935 457072030 /nfs/dbraw/zinc/07/20/30/457072030.db2.gz IURMKRMZRYQQAY-DSKINZAPSA-N 2 1 330.516 3.443 20 0 EGADMP [NH3+]CCCOC1CC[NH+](Cc2csc(-c3cccs3)n2)CC1 ZINC000346647164 457091217 /nfs/dbraw/zinc/09/12/17/457091217.db2.gz FUMRKYGILRAPCW-UHFFFAOYSA-N 2 1 337.514 3.201 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3OCC(F)(F)F)C[C@H]21 ZINC000342090353 457102145 /nfs/dbraw/zinc/10/21/45/457102145.db2.gz TUMBYETWAOENIH-BPLDGKMQSA-N 2 1 328.378 3.187 20 0 EGADMP C[N@H+]1CCC[C@]2(CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000354177759 457111667 /nfs/dbraw/zinc/11/16/67/457111667.db2.gz QZIJHHQQDWZKJN-IBGZPJMESA-N 2 1 344.890 3.443 20 0 EGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000354183236 457115635 /nfs/dbraw/zinc/11/56/35/457115635.db2.gz YNLZDRSPVXGMGK-JRGCBEDISA-N 2 1 346.515 3.202 20 0 EGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000354183236 457115636 /nfs/dbraw/zinc/11/56/36/457115636.db2.gz YNLZDRSPVXGMGK-JRGCBEDISA-N 2 1 346.515 3.202 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3ccccc3C(F)(F)F)C[C@H]21 ZINC000342143766 457134073 /nfs/dbraw/zinc/13/40/73/457134073.db2.gz QSBKRUAXLCKDAK-GZBFAFLISA-N 2 1 328.378 3.143 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C ZINC000354225751 457142041 /nfs/dbraw/zinc/14/20/41/457142041.db2.gz YLUPRWXLRNSYPL-WMLDXEAASA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C ZINC000354225751 457142048 /nfs/dbraw/zinc/14/20/48/457142048.db2.gz YLUPRWXLRNSYPL-WMLDXEAASA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C ZINC000354225751 457142053 /nfs/dbraw/zinc/14/20/53/457142053.db2.gz YLUPRWXLRNSYPL-WMLDXEAASA-N 2 1 337.895 3.473 20 0 EGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC000342197965 457163132 /nfs/dbraw/zinc/16/31/32/457163132.db2.gz ZJILSUOSCDYGDR-UHFFFAOYSA-N 2 1 349.563 3.412 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(OCc4ccccn4)c3)C[C@@H]21 ZINC000346841861 457181287 /nfs/dbraw/zinc/18/12/87/457181287.db2.gz HMRMZQOLPAKTDN-JRGCBEDISA-N 2 1 337.467 3.220 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(C)C)nc2)[C@@H](C)C1 ZINC000360010534 457202014 /nfs/dbraw/zinc/20/20/14/457202014.db2.gz HPXULTIHLKJUGO-PKOBYXMFSA-N 2 1 349.519 3.095 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(C)C)nc2)[C@@H](C)C1 ZINC000360010534 457202021 /nfs/dbraw/zinc/20/20/21/457202021.db2.gz HPXULTIHLKJUGO-PKOBYXMFSA-N 2 1 349.519 3.095 20 0 EGADMP C[N@H+](Cc1ccc(OC(F)F)c(Br)c1)C1CC[NH2+]CC1 ZINC000347056498 457207288 /nfs/dbraw/zinc/20/72/88/457207288.db2.gz VKEKNDNWKKVCIK-UHFFFAOYSA-N 2 1 349.219 3.234 20 0 EGADMP CC(C)[C@@H](C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000354668398 457306801 /nfs/dbraw/zinc/30/68/01/457306801.db2.gz VKLQEJULOYRBQW-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP O=C(NCCCCC[NH+]1CCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000357076388 457309535 /nfs/dbraw/zinc/30/95/35/457309535.db2.gz IQECBWDCPVHQJD-SFHVURJKSA-N 2 1 335.536 3.023 20 0 EGADMP CCCn1c(C)nnc1C[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357091924 457318444 /nfs/dbraw/zinc/31/84/44/457318444.db2.gz XOHGEANPKDJKNA-UHFFFAOYSA-N 2 1 347.551 3.331 20 0 EGADMP CCCn1c(C)nnc1C[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000357091924 457318448 /nfs/dbraw/zinc/31/84/48/457318448.db2.gz XOHGEANPKDJKNA-UHFFFAOYSA-N 2 1 347.551 3.331 20 0 EGADMP CCOc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)CCOCC2)cc1 ZINC000360597594 457321794 /nfs/dbraw/zinc/32/17/94/457321794.db2.gz MCPGBGIXBUUHFP-XLIONFOSSA-N 2 1 346.515 3.063 20 0 EGADMP Cc1[nH+]ccn1CCCN1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000363459105 457336507 /nfs/dbraw/zinc/33/65/07/457336507.db2.gz HFPIVAMWAUIBNI-CYBMUJFWSA-N 2 1 325.865 3.370 20 0 EGADMP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352494815 457413910 /nfs/dbraw/zinc/41/39/10/457413910.db2.gz FXGYMWNVOGLXEZ-YLJYHZDGSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352494815 457413918 /nfs/dbraw/zinc/41/39/18/457413918.db2.gz FXGYMWNVOGLXEZ-YLJYHZDGSA-N 2 1 343.515 3.017 20 0 EGADMP c1ccc(COc2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)nc1 ZINC000352533853 457445098 /nfs/dbraw/zinc/44/50/98/457445098.db2.gz AGGSVXPWKHSITE-NRFANRHFSA-N 2 1 337.467 3.236 20 0 EGADMP c1ccc(COc2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)nc1 ZINC000352533853 457445104 /nfs/dbraw/zinc/44/51/04/457445104.db2.gz AGGSVXPWKHSITE-NRFANRHFSA-N 2 1 337.467 3.236 20 0 EGADMP Cc1cccc(N2CCC([NH2+][C@@H](C)Cc3ccc(O)cc3)CC2)[nH+]1 ZINC000352542926 457452235 /nfs/dbraw/zinc/45/22/35/457452235.db2.gz ABOJIRFOVPRAFX-INIZCTEOSA-N 2 1 325.456 3.285 20 0 EGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(C3CCCC3)cc2)C1 ZINC000360965239 457472128 /nfs/dbraw/zinc/47/21/28/457472128.db2.gz DMZULKWAGATMGE-HXUWFJFHSA-N 2 1 343.515 3.021 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000342732733 457484994 /nfs/dbraw/zinc/48/49/94/457484994.db2.gz LTUYIXLLVKIWCP-ZCNNSNEGSA-N 2 1 343.515 3.118 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000357409134 457504239 /nfs/dbraw/zinc/50/42/39/457504239.db2.gz HOPOBWRZZVGGJN-APWZRJJASA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000357409134 457504244 /nfs/dbraw/zinc/50/42/44/457504244.db2.gz HOPOBWRZZVGGJN-APWZRJJASA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000357409134 457504251 /nfs/dbraw/zinc/50/42/51/457504251.db2.gz HOPOBWRZZVGGJN-APWZRJJASA-N 2 1 331.504 3.131 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000342758513 457504413 /nfs/dbraw/zinc/50/44/13/457504413.db2.gz UICISIKMECLSTE-ABSDTBQOSA-N 2 1 343.515 3.065 20 0 EGADMP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000342802831 457534833 /nfs/dbraw/zinc/53/48/33/457534833.db2.gz QXMMEFMUZKARBQ-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP Cc1[nH+]ccc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1Cl ZINC000352747345 457578371 /nfs/dbraw/zinc/57/83/71/457578371.db2.gz BRHGXNSUENGNMT-OKILXGFUSA-N 2 1 337.895 3.369 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000364450951 457608650 /nfs/dbraw/zinc/60/86/50/457608650.db2.gz UPSXPTWMUOIQJF-KFKAGJAMSA-N 2 1 344.503 3.494 20 0 EGADMP C[N@H+](CCCc1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425914649 457650887 /nfs/dbraw/zinc/65/08/87/457650887.db2.gz CALUKBVQSQQVHD-JOCHJYFZSA-N 2 1 338.495 3.188 20 0 EGADMP C[N@@H+](CCCc1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425914649 457650892 /nfs/dbraw/zinc/65/08/92/457650892.db2.gz CALUKBVQSQQVHD-JOCHJYFZSA-N 2 1 338.495 3.188 20 0 EGADMP C[NH+](CCCc1ccccc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425914649 457650898 /nfs/dbraw/zinc/65/08/98/457650898.db2.gz CALUKBVQSQQVHD-JOCHJYFZSA-N 2 1 338.495 3.188 20 0 EGADMP C[NH+](CCCc1ccccc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425914649 457650900 /nfs/dbraw/zinc/65/09/00/457650900.db2.gz CALUKBVQSQQVHD-JOCHJYFZSA-N 2 1 338.495 3.188 20 0 EGADMP CC(C)[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000370479135 457657958 /nfs/dbraw/zinc/65/79/58/457657958.db2.gz YZFHRCLFOULDSV-ILWGZMRPSA-N 2 1 343.559 3.384 20 0 EGADMP C[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000357741743 457675257 /nfs/dbraw/zinc/67/52/57/457675257.db2.gz MPFCSZKFDGSRFH-QZTJIDSGSA-N 2 1 347.503 3.187 20 0 EGADMP CC(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000358005513 457737711 /nfs/dbraw/zinc/73/77/11/457737711.db2.gz NHZGEQZEPDTZQC-WMQCIHAUSA-N 2 1 329.532 3.142 20 0 EGADMP CC(C)[C@H](CN[C@@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000358005513 457737713 /nfs/dbraw/zinc/73/77/13/457737713.db2.gz NHZGEQZEPDTZQC-WMQCIHAUSA-N 2 1 329.532 3.142 20 0 EGADMP CC(C)[C@H](CN[C@@H]1CC[NH+](C)[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000358005513 457737716 /nfs/dbraw/zinc/73/77/16/457737716.db2.gz NHZGEQZEPDTZQC-WMQCIHAUSA-N 2 1 329.532 3.142 20 0 EGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000358005513 457737719 /nfs/dbraw/zinc/73/77/19/457737719.db2.gz NHZGEQZEPDTZQC-WMQCIHAUSA-N 2 1 329.532 3.142 20 0 EGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000358005513 457737722 /nfs/dbraw/zinc/73/77/22/457737722.db2.gz NHZGEQZEPDTZQC-WMQCIHAUSA-N 2 1 329.532 3.142 20 0 EGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000443641828 457795263 /nfs/dbraw/zinc/79/52/63/457795263.db2.gz MJSQJIHVFPYCRS-VXSCBNMQSA-N 2 1 342.527 3.451 20 0 EGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000443641828 457795268 /nfs/dbraw/zinc/79/52/68/457795268.db2.gz MJSQJIHVFPYCRS-VXSCBNMQSA-N 2 1 342.527 3.451 20 0 EGADMP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO[C@H]1C1CC1 ZINC000375118991 457798920 /nfs/dbraw/zinc/79/89/20/457798920.db2.gz BEVSLBKBAMZMFP-LEWJYISDSA-N 2 1 328.500 3.446 20 0 EGADMP Cc1ccc2ncc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cc2c1 ZINC000411403430 457877248 /nfs/dbraw/zinc/87/72/48/457877248.db2.gz WMQCQMZFVNMJOQ-HMXCVIKNSA-N 2 1 339.483 3.227 20 0 EGADMP Cc1ccc2ncc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cc2c1 ZINC000411403430 457877256 /nfs/dbraw/zinc/87/72/56/457877256.db2.gz WMQCQMZFVNMJOQ-HMXCVIKNSA-N 2 1 339.483 3.227 20 0 EGADMP Cc1nnc([C@@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000371350685 457878904 /nfs/dbraw/zinc/87/89/04/457878904.db2.gz APOAPHFBHKZGKQ-MRXNPFEDSA-N 2 1 340.471 3.427 20 0 EGADMP Cc1nnc([C@@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000371350685 457878911 /nfs/dbraw/zinc/87/89/11/457878911.db2.gz APOAPHFBHKZGKQ-MRXNPFEDSA-N 2 1 340.471 3.427 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411409414 457879116 /nfs/dbraw/zinc/87/91/16/457879116.db2.gz BDTAOPYKUAEMQQ-GOSISDBHSA-N 2 1 343.515 3.134 20 0 EGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000358247749 457885959 /nfs/dbraw/zinc/88/59/59/457885959.db2.gz LHBASTMFKNJRCY-JQHSSLGASA-N 2 1 332.488 3.099 20 0 EGADMP CCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)s1 ZINC000358318597 457930994 /nfs/dbraw/zinc/93/09/94/457930994.db2.gz MNBKBDRPYWIKNW-MAZHCROVSA-N 2 1 337.533 3.042 20 0 EGADMP Cc1noc([C@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000411721889 457962149 /nfs/dbraw/zinc/96/21/49/457962149.db2.gz XCWYPTNBCNKHNP-IBGZPJMESA-N 2 1 340.471 3.353 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@H]2C(C)C)[C@H](C)C1 ZINC000358395803 457977067 /nfs/dbraw/zinc/97/70/67/457977067.db2.gz INQJMYWCDGNCAF-FYQPLNBISA-N 2 1 340.552 3.164 20 0 EGADMP Cc1cccc(NCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000358409162 457985158 /nfs/dbraw/zinc/98/51/58/457985158.db2.gz WFCZRICRZHGORO-AZUAARDMSA-N 2 1 338.499 3.445 20 0 EGADMP Cc1cccc(NCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000358409162 457985162 /nfs/dbraw/zinc/98/51/62/457985162.db2.gz WFCZRICRZHGORO-AZUAARDMSA-N 2 1 338.499 3.445 20 0 EGADMP C[C@@H](CC1CCOCC1)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000434643107 458026729 /nfs/dbraw/zinc/02/67/29/458026729.db2.gz AHYSGKUCDZZKOI-GHTZIAJQSA-N 2 1 345.531 3.288 20 0 EGADMP C[C@@H](CC1CCOCC1)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000434643107 458026734 /nfs/dbraw/zinc/02/67/34/458026734.db2.gz AHYSGKUCDZZKOI-GHTZIAJQSA-N 2 1 345.531 3.288 20 0 EGADMP C[C@@H](CC1CCOCC1)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000434643107 458026740 /nfs/dbraw/zinc/02/67/40/458026740.db2.gz AHYSGKUCDZZKOI-GHTZIAJQSA-N 2 1 345.531 3.288 20 0 EGADMP C[C@@H](CC1CCOCC1)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000434643107 458026746 /nfs/dbraw/zinc/02/67/46/458026746.db2.gz AHYSGKUCDZZKOI-GHTZIAJQSA-N 2 1 345.531 3.288 20 0 EGADMP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc(Cl)cc1Cl ZINC000358515626 458051324 /nfs/dbraw/zinc/05/13/24/458051324.db2.gz MSDLVZPIXHTBJW-UHFFFAOYSA-N 2 1 342.270 3.007 20 0 EGADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc(Cl)cc1Cl ZINC000358515626 458051330 /nfs/dbraw/zinc/05/13/30/458051330.db2.gz MSDLVZPIXHTBJW-UHFFFAOYSA-N 2 1 342.270 3.007 20 0 EGADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc(Cl)c(Cl)c1 ZINC000358521894 458054508 /nfs/dbraw/zinc/05/45/08/458054508.db2.gz YYYKRGIRBVQCGE-UHFFFAOYSA-N 2 1 342.270 3.007 20 0 EGADMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000428047781 458073014 /nfs/dbraw/zinc/07/30/14/458073014.db2.gz ZUBHUUFPLWDLBB-ICSRJNTNSA-N 2 1 349.478 3.366 20 0 EGADMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000428047781 458073020 /nfs/dbraw/zinc/07/30/20/458073020.db2.gz ZUBHUUFPLWDLBB-ICSRJNTNSA-N 2 1 349.478 3.366 20 0 EGADMP CC[N@@H+](C)CCN[C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000428226324 458100734 /nfs/dbraw/zinc/10/07/34/458100734.db2.gz GXCDFSGHWNBELW-PWRODBHTSA-N 2 1 329.532 3.219 20 0 EGADMP CC[NH+](C)CCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000428226324 458100737 /nfs/dbraw/zinc/10/07/37/458100737.db2.gz GXCDFSGHWNBELW-PWRODBHTSA-N 2 1 329.532 3.219 20 0 EGADMP CC[NH+](C)CCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428226324 458100739 /nfs/dbraw/zinc/10/07/39/458100739.db2.gz GXCDFSGHWNBELW-PWRODBHTSA-N 2 1 329.532 3.219 20 0 EGADMP CCN(C)CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000428226324 458100741 /nfs/dbraw/zinc/10/07/41/458100741.db2.gz GXCDFSGHWNBELW-PWRODBHTSA-N 2 1 329.532 3.219 20 0 EGADMP CCN(C)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428226324 458100742 /nfs/dbraw/zinc/10/07/42/458100742.db2.gz GXCDFSGHWNBELW-PWRODBHTSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000435372549 458122260 /nfs/dbraw/zinc/12/22/60/458122260.db2.gz RWEQPSVMJHLOIY-IRXDYDNUSA-N 2 1 347.466 3.103 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc(C)c1OCc1ccccn1 ZINC000435372827 458122466 /nfs/dbraw/zinc/12/24/66/458122466.db2.gz SRPAAGUJPNXAFP-IEBWSBKVSA-N 2 1 339.483 3.447 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000435372860 458122930 /nfs/dbraw/zinc/12/29/30/458122930.db2.gz SUFUVKBZHZYLRO-JSGCOSHPSA-N 2 1 346.393 3.196 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@H]1[NH3+] ZINC000435373318 458124304 /nfs/dbraw/zinc/12/43/04/458124304.db2.gz DMUAYJXRDIKOMP-CRAIPNDOSA-N 2 1 326.488 3.339 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@H]1[NH3+] ZINC000435373318 458124309 /nfs/dbraw/zinc/12/43/09/458124309.db2.gz DMUAYJXRDIKOMP-CRAIPNDOSA-N 2 1 326.488 3.339 20 0 EGADMP C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[C@@H]1[NH3+] ZINC000435378824 458128806 /nfs/dbraw/zinc/12/88/06/458128806.db2.gz KDRPPIUIDOMYSL-JXFKEZNVSA-N 2 1 347.466 3.103 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC[C@@H]1[NH3+] ZINC000435378824 458128809 /nfs/dbraw/zinc/12/88/09/458128809.db2.gz KDRPPIUIDOMYSL-JXFKEZNVSA-N 2 1 347.466 3.103 20 0 EGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000435387430 458131935 /nfs/dbraw/zinc/13/19/35/458131935.db2.gz AFMLVCOBVPRZHM-KRWDZBQOSA-N 2 1 326.488 3.010 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC2([NH3+])CCCCCC2)cc1)C1CC1 ZINC000428552103 458167787 /nfs/dbraw/zinc/16/77/87/458167787.db2.gz LVSUDGBINYINRN-UHFFFAOYSA-N 2 1 343.515 3.452 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)F)CC1 ZINC000358722835 458171016 /nfs/dbraw/zinc/17/10/16/458171016.db2.gz KHNITRGLFFVKAN-IAGOWNOFSA-N 2 1 340.458 3.076 20 0 EGADMP CC[N@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435623411 458174766 /nfs/dbraw/zinc/17/47/66/458174766.db2.gz CMPPGVBNSBMCAG-UYAOXDASSA-N 2 1 349.494 3.103 20 0 EGADMP CC[N@@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435623411 458174773 /nfs/dbraw/zinc/17/47/73/458174773.db2.gz CMPPGVBNSBMCAG-UYAOXDASSA-N 2 1 349.494 3.103 20 0 EGADMP c1csc(C[N@H+](CCc2ccccc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435697350 458186520 /nfs/dbraw/zinc/18/65/20/458186520.db2.gz SHEIYPYEHMDGKX-KRWDZBQOSA-N 2 1 327.497 3.330 20 0 EGADMP CC(C)C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(Br)c1 ZINC000358755215 458195878 /nfs/dbraw/zinc/19/58/78/458195878.db2.gz NTWDOPYKGVWNAE-JKSUJKDBSA-N 2 1 343.309 3.048 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435756227 458197447 /nfs/dbraw/zinc/19/74/47/458197447.db2.gz PBUCIXKNMBWTSC-IBGZPJMESA-N 2 1 331.504 3.133 20 0 EGADMP CCOc1ccccc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000362508496 458229077 /nfs/dbraw/zinc/22/90/77/458229077.db2.gz YHNSYRUSKMUICA-IAGOWNOFSA-N 2 1 347.503 3.219 20 0 EGADMP CCOc1ccccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000362508496 458229083 /nfs/dbraw/zinc/22/90/83/458229083.db2.gz YHNSYRUSKMUICA-IAGOWNOFSA-N 2 1 347.503 3.219 20 0 EGADMP CCOc1ccccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000362508496 458229086 /nfs/dbraw/zinc/22/90/86/458229086.db2.gz YHNSYRUSKMUICA-IAGOWNOFSA-N 2 1 347.503 3.219 20 0 EGADMP CCOc1ccccc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000362508498 458229480 /nfs/dbraw/zinc/22/94/80/458229480.db2.gz YHNSYRUSKMUICA-SJORKVTESA-N 2 1 347.503 3.219 20 0 EGADMP CCOc1ccccc1NC(=O)CC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000362508498 458229486 /nfs/dbraw/zinc/22/94/86/458229486.db2.gz YHNSYRUSKMUICA-SJORKVTESA-N 2 1 347.503 3.219 20 0 EGADMP CCOc1ccccc1NC(=O)CC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000362508498 458229492 /nfs/dbraw/zinc/22/94/92/458229492.db2.gz YHNSYRUSKMUICA-SJORKVTESA-N 2 1 347.503 3.219 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)c(F)c1 ZINC000412556889 458232889 /nfs/dbraw/zinc/23/28/89/458232889.db2.gz GQBCIDJYPKSALL-SFHVURJKSA-N 2 1 329.419 3.129 20 0 EGADMP Cc1cccc(NC[C@H]2CC[N@H+](CCCO[C@H]3CCCCO3)C2)[nH+]1 ZINC000358831474 458245389 /nfs/dbraw/zinc/24/53/89/458245389.db2.gz PBCWZGJDKGTZKZ-MJGOQNOKSA-N 2 1 333.476 3.057 20 0 EGADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCCO[C@H]3CCCCO3)C2)[nH+]1 ZINC000358831474 458245395 /nfs/dbraw/zinc/24/53/95/458245395.db2.gz PBCWZGJDKGTZKZ-MJGOQNOKSA-N 2 1 333.476 3.057 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1ccc2c(c1)OCCO2 ZINC000429262912 458302545 /nfs/dbraw/zinc/30/25/45/458302545.db2.gz WCJCMFKLSZODKW-UHFFFAOYSA-N 2 1 343.471 3.171 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1ccc2c(c1)OCCO2 ZINC000429262912 458302549 /nfs/dbraw/zinc/30/25/49/458302549.db2.gz WCJCMFKLSZODKW-UHFFFAOYSA-N 2 1 343.471 3.171 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CC[C@@H](C)C2)CC1 ZINC000429575749 458348381 /nfs/dbraw/zinc/34/83/81/458348381.db2.gz KZGCNVSABWGUNE-HBFSDRIKSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CC[C@@H](C)C2)CC1 ZINC000429575749 458348385 /nfs/dbraw/zinc/34/83/85/458348385.db2.gz KZGCNVSABWGUNE-HBFSDRIKSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459406129 458361010 /nfs/dbraw/zinc/36/10/10/458361010.db2.gz KPVNZZVRTUTYQJ-NVXWUHKLSA-N 2 1 332.492 3.050 20 0 EGADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448066458 458386127 /nfs/dbraw/zinc/38/61/27/458386127.db2.gz DOSZLKCTBIXHQR-GOSISDBHSA-N 2 1 346.519 3.033 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430135360 458407815 /nfs/dbraw/zinc/40/78/15/458407815.db2.gz TVIBGBHPEJIAJV-OAQYLSRUSA-N 2 1 338.499 3.076 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430135360 458407821 /nfs/dbraw/zinc/40/78/21/458407821.db2.gz TVIBGBHPEJIAJV-OAQYLSRUSA-N 2 1 338.499 3.076 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430135360 458407827 /nfs/dbraw/zinc/40/78/27/458407827.db2.gz TVIBGBHPEJIAJV-OAQYLSRUSA-N 2 1 338.499 3.076 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430135360 458407831 /nfs/dbraw/zinc/40/78/31/458407831.db2.gz TVIBGBHPEJIAJV-OAQYLSRUSA-N 2 1 338.499 3.076 20 0 EGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423436748 458432621 /nfs/dbraw/zinc/43/26/21/458432621.db2.gz UAZMGLPAXDITTI-ROUUACIJSA-N 2 1 331.504 3.093 20 0 EGADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(C)n1 ZINC000423471424 458437427 /nfs/dbraw/zinc/43/74/27/458437427.db2.gz MAKHRBITOSONMK-XVGQJIODSA-N 2 1 342.462 3.276 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000423486710 458440899 /nfs/dbraw/zinc/44/08/99/458440899.db2.gz BXSFFBMCVASJPC-HZPDHXFCSA-N 2 1 330.394 3.371 20 0 EGADMP FC(F)(F)Oc1cccc([C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CC2)c1 ZINC000423492720 458442770 /nfs/dbraw/zinc/44/27/70/458442770.db2.gz OJLFADLDQHNWKW-HZPDHXFCSA-N 2 1 344.377 3.004 20 0 EGADMP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423517098 458449292 /nfs/dbraw/zinc/44/92/92/458449292.db2.gz NYUDUPIILGREOL-APWZRJJASA-N 2 1 340.467 3.391 20 0 EGADMP C[C@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423527324 458452164 /nfs/dbraw/zinc/45/21/64/458452164.db2.gz MHQNVTNMPNERQD-FDTGPBLFSA-N 2 1 349.522 3.242 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000459745829 458465965 /nfs/dbraw/zinc/46/59/65/458465965.db2.gz YLBMRFWGQBMRFF-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP OC1(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CCCC1 ZINC000437575375 458468996 /nfs/dbraw/zinc/46/89/96/458468996.db2.gz ASMRDOMXIWAVSM-FQEVSTJZSA-N 2 1 328.500 3.280 20 0 EGADMP OC1(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCCC1 ZINC000437575375 458469001 /nfs/dbraw/zinc/46/90/01/458469001.db2.gz ASMRDOMXIWAVSM-FQEVSTJZSA-N 2 1 328.500 3.280 20 0 EGADMP OC1(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCCC1 ZINC000437575375 458469007 /nfs/dbraw/zinc/46/90/07/458469007.db2.gz ASMRDOMXIWAVSM-FQEVSTJZSA-N 2 1 328.500 3.280 20 0 EGADMP C[C@H](C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000437848320 458502089 /nfs/dbraw/zinc/50/20/89/458502089.db2.gz TUSBPRKIMFZDAW-NTDBWNAOSA-N 2 1 335.536 3.161 20 0 EGADMP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000437848320 458502092 /nfs/dbraw/zinc/50/20/92/458502092.db2.gz TUSBPRKIMFZDAW-NTDBWNAOSA-N 2 1 335.536 3.161 20 0 EGADMP C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000437848320 458502096 /nfs/dbraw/zinc/50/20/96/458502096.db2.gz TUSBPRKIMFZDAW-NTDBWNAOSA-N 2 1 335.536 3.161 20 0 EGADMP Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000377664241 458509165 /nfs/dbraw/zinc/50/91/65/458509165.db2.gz BWUCEDRNMHUMLF-HXUWFJFHSA-N 2 1 343.515 3.121 20 0 EGADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000423906367 458510576 /nfs/dbraw/zinc/51/05/76/458510576.db2.gz QFQAVKAOQLCBFP-BWPNAZKDSA-N 2 1 345.531 3.023 20 0 EGADMP CC(C)n1nccc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373497279 458510965 /nfs/dbraw/zinc/51/09/65/458510965.db2.gz SCUDTSXYMYRKSX-PKOBYXMFSA-N 2 1 326.488 3.464 20 0 EGADMP CC(C)n1nccc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373497279 458510967 /nfs/dbraw/zinc/51/09/67/458510967.db2.gz SCUDTSXYMYRKSX-PKOBYXMFSA-N 2 1 326.488 3.464 20 0 EGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000373602672 458547761 /nfs/dbraw/zinc/54/77/61/458547761.db2.gz GDSLVQSVYQXRTK-BMFZPTHFSA-N 2 1 342.405 3.089 20 0 EGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000373602672 458547764 /nfs/dbraw/zinc/54/77/64/458547764.db2.gz GDSLVQSVYQXRTK-BMFZPTHFSA-N 2 1 342.405 3.089 20 0 EGADMP [NH3+][C@@H](CCC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)CC1CCCCC1 ZINC000424155584 458572560 /nfs/dbraw/zinc/57/25/60/458572560.db2.gz MXPZDYZDIJOZJQ-ROUUACIJSA-N 2 1 335.536 3.197 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424159384 458573720 /nfs/dbraw/zinc/57/37/20/458573720.db2.gz SLPLDTQFONGVEK-RBUKOAKNSA-N 2 1 337.552 3.301 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cc2)n1 ZINC000424294382 458606208 /nfs/dbraw/zinc/60/62/08/458606208.db2.gz QBZSNNDQORCNRR-GOSISDBHSA-N 2 1 338.499 3.453 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1cccc3ccccc31)CC[NH2+]CC2 ZINC000424297544 458607655 /nfs/dbraw/zinc/60/76/55/458607655.db2.gz SWPIETBYFGHGPT-MRXNPFEDSA-N 2 1 337.467 3.242 20 0 EGADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424301639 458609808 /nfs/dbraw/zinc/60/98/08/458609808.db2.gz XXCBQIRYVAUDHG-KRWDZBQOSA-N 2 1 343.515 3.036 20 0 EGADMP CCn1c2ccc(F)cc2nc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424299823 458609820 /nfs/dbraw/zinc/60/98/20/458609820.db2.gz VXQULTNHGHUOFA-AWEZNQCLSA-N 2 1 330.451 3.159 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000494000256 458614598 /nfs/dbraw/zinc/61/45/98/458614598.db2.gz PNZPCBAKNSHHOT-HBWRTXEVSA-N 2 1 343.515 3.027 20 0 EGADMP CC1CC[NH+](CCCCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000431745446 458616741 /nfs/dbraw/zinc/61/67/41/458616741.db2.gz QQYYSNLHGBVCSB-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000494125062 458630071 /nfs/dbraw/zinc/63/00/71/458630071.db2.gz SCYYDGUPCDRYRU-QGZVFWFLSA-N 2 1 348.491 3.055 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000494125062 458630075 /nfs/dbraw/zinc/63/00/75/458630075.db2.gz SCYYDGUPCDRYRU-QGZVFWFLSA-N 2 1 348.491 3.055 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000439079640 458650134 /nfs/dbraw/zinc/65/01/34/458650134.db2.gz VBLFZCCAABUARR-INIZCTEOSA-N 2 1 347.503 3.426 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000502798245 458670935 /nfs/dbraw/zinc/67/09/35/458670935.db2.gz ZQPIZLFGIVMNJE-IRXDYDNUSA-N 2 1 348.535 3.145 20 0 EGADMP CCCN(CC[C@@H]1CCC[N@H+]1C)CC(=O)Nc1ccc(Cl)cc1 ZINC000503066006 458690934 /nfs/dbraw/zinc/69/09/34/458690934.db2.gz XIEOLXAZGZFFGB-KRWDZBQOSA-N 2 1 337.895 3.475 20 0 EGADMP CC(C)(C)c1csc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000530240798 458727853 /nfs/dbraw/zinc/72/78/53/458727853.db2.gz NXCUMYNEDOXOGQ-OAHLLOKOSA-N 2 1 337.533 3.031 20 0 EGADMP c1sc(C2CCCC2)nc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239737 458727884 /nfs/dbraw/zinc/72/78/84/458727884.db2.gz HMHBXFOCOBVOLC-SFHVURJKSA-N 2 1 349.544 3.391 20 0 EGADMP Cc1cccc(C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C2CC2)c1 ZINC000432418099 458736121 /nfs/dbraw/zinc/73/61/21/458736121.db2.gz PXZISPZPIWWSJU-RXVVDRJESA-N 2 1 330.516 3.407 20 0 EGADMP Cc1cccc(C[C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C2CC2)c1 ZINC000432418099 458736123 /nfs/dbraw/zinc/73/61/23/458736123.db2.gz PXZISPZPIWWSJU-RXVVDRJESA-N 2 1 330.516 3.407 20 0 EGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432438699 458740482 /nfs/dbraw/zinc/74/04/82/458740482.db2.gz BUQNUDRPDSJFDM-PXNSSMCTSA-N 2 1 336.495 3.483 20 0 EGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432438699 458740490 /nfs/dbraw/zinc/74/04/90/458740490.db2.gz BUQNUDRPDSJFDM-PXNSSMCTSA-N 2 1 336.495 3.483 20 0 EGADMP Cc1nc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)oc1C ZINC000471850632 458743233 /nfs/dbraw/zinc/74/32/33/458743233.db2.gz ZYNYBPARJXOXNI-OALUTQOASA-N 2 1 327.472 3.464 20 0 EGADMP Cc1nc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)oc1C ZINC000471850632 458743237 /nfs/dbraw/zinc/74/32/37/458743237.db2.gz ZYNYBPARJXOXNI-OALUTQOASA-N 2 1 327.472 3.464 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CC(=O)NCCCC2CCCCC2)C1 ZINC000472461347 458797580 /nfs/dbraw/zinc/79/75/80/458797580.db2.gz HLBJXHDERBFHDX-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2nc(-c3ccccc3)no2)C[C@H]1C ZINC000530901693 458842957 /nfs/dbraw/zinc/84/29/57/458842957.db2.gz QJHHTBUXHGNKMV-SJLPKXTDSA-N 2 1 342.487 3.474 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2nc(-c3ccccc3)no2)C[C@H]1C ZINC000530901693 458842963 /nfs/dbraw/zinc/84/29/63/458842963.db2.gz QJHHTBUXHGNKMV-SJLPKXTDSA-N 2 1 342.487 3.474 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2nc(-c3ccccc3)no2)C[C@H]1C ZINC000530901693 458842969 /nfs/dbraw/zinc/84/29/69/458842969.db2.gz QJHHTBUXHGNKMV-SJLPKXTDSA-N 2 1 342.487 3.474 20 0 EGADMP Cc1cccc(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000518269503 458852440 /nfs/dbraw/zinc/85/24/40/458852440.db2.gz FKVYCGNOBGAIAE-QFIPXVFZSA-N 2 1 337.511 3.463 20 0 EGADMP CCCCN(C(=O)C[N@@H+](CC)C1CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000440953763 458870307 /nfs/dbraw/zinc/87/03/07/458870307.db2.gz GYWGLJCOPWJMFK-UHFFFAOYSA-N 2 1 337.552 3.409 20 0 EGADMP C[N@@H+](CCCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000457200683 458894958 /nfs/dbraw/zinc/89/49/58/458894958.db2.gz LQJQMHJSSMYYNI-UHFFFAOYSA-N 2 1 343.515 3.277 20 0 EGADMP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000474876118 458904440 /nfs/dbraw/zinc/90/44/40/458904440.db2.gz CSGKOLLDYFHGQI-PGYGNJIDSA-N 2 1 338.536 3.456 20 0 EGADMP CC(C)COc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000441269720 458908687 /nfs/dbraw/zinc/90/86/87/458908687.db2.gz SBEGCFSBNQFVGL-SVFBPWRDSA-N 2 1 346.515 3.405 20 0 EGADMP CC(C)COc1ccccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000441269720 458908691 /nfs/dbraw/zinc/90/86/91/458908691.db2.gz SBEGCFSBNQFVGL-SVFBPWRDSA-N 2 1 346.515 3.405 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2c(C)ccc(C)c2C)C[C@H]1C ZINC000531382251 458910106 /nfs/dbraw/zinc/91/01/06/458910106.db2.gz KASXBOQQEXVHIL-HOJAQTOUSA-N 2 1 348.531 3.156 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2c(C)ccc(C)c2C)C[C@H]1C ZINC000531382251 458910111 /nfs/dbraw/zinc/91/01/11/458910111.db2.gz KASXBOQQEXVHIL-HOJAQTOUSA-N 2 1 348.531 3.156 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2c(C)ccc(C)c2C)C[C@H]1C ZINC000531382251 458910117 /nfs/dbraw/zinc/91/01/17/458910117.db2.gz KASXBOQQEXVHIL-HOJAQTOUSA-N 2 1 348.531 3.156 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000495684458 458918070 /nfs/dbraw/zinc/91/80/70/458918070.db2.gz BHDOFLNSZBDHKW-AQFXKWCLSA-N 2 1 339.524 3.001 20 0 EGADMP CCOc1ccccc1C[N@@H+]1CCN(CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000441381444 458931447 /nfs/dbraw/zinc/93/14/47/458931447.db2.gz MEHCVAHKEOCROI-IBGZPJMESA-N 2 1 345.531 3.077 20 0 EGADMP CCOc1ccccc1C[N@H+]1CCN(CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000441381444 458931455 /nfs/dbraw/zinc/93/14/55/458931455.db2.gz MEHCVAHKEOCROI-IBGZPJMESA-N 2 1 345.531 3.077 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(C)(CC)CC3)CC2)CC1 ZINC000566437481 458933654 /nfs/dbraw/zinc/93/36/54/458933654.db2.gz ONAPUURLRRPPNG-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556178594 458934280 /nfs/dbraw/zinc/93/42/80/458934280.db2.gz FOKVLBVRANSRNW-YPAWHYETSA-N 2 1 338.495 3.324 20 0 EGADMP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556178594 458934288 /nfs/dbraw/zinc/93/42/88/458934288.db2.gz FOKVLBVRANSRNW-YPAWHYETSA-N 2 1 338.495 3.324 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000566440687 458935374 /nfs/dbraw/zinc/93/53/74/458935374.db2.gz PAPSUESVLSLTDQ-HXUWFJFHSA-N 2 1 345.531 3.031 20 0 EGADMP Cc1nnc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000556254216 458942637 /nfs/dbraw/zinc/94/26/37/458942637.db2.gz MQSFCPXBJZSIBY-UHFFFAOYSA-N 2 1 330.501 3.379 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000495815263 458964402 /nfs/dbraw/zinc/96/44/02/458964402.db2.gz YDVBIWGUROPWKG-AQFXKWCLSA-N 2 1 339.524 3.001 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000442751620 459030577 /nfs/dbraw/zinc/03/05/77/459030577.db2.gz CNPLVEWLMJVYOS-CBGDNZLLSA-N 2 1 343.515 3.093 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000442751620 459030579 /nfs/dbraw/zinc/03/05/79/459030579.db2.gz CNPLVEWLMJVYOS-CBGDNZLLSA-N 2 1 343.515 3.093 20 0 EGADMP Cc1ncc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)n1C ZINC000567063029 459042703 /nfs/dbraw/zinc/04/27/03/459042703.db2.gz MICZOPZZHOFYHA-MRXNPFEDSA-N 2 1 326.488 3.393 20 0 EGADMP C[N@H+](C[C@H](O)CNc1ccc2nc(-c3ccccc3)[nH]c2c1)C1CC1 ZINC000567105188 459048682 /nfs/dbraw/zinc/04/86/82/459048682.db2.gz ZRGWMOGNROCUSQ-QGZVFWFLSA-N 2 1 336.439 3.097 20 0 EGADMP C[N@@H+](C[C@H](O)CNc1ccc2nc(-c3ccccc3)[nH]c2c1)C1CC1 ZINC000567105188 459048688 /nfs/dbraw/zinc/04/86/88/459048688.db2.gz ZRGWMOGNROCUSQ-QGZVFWFLSA-N 2 1 336.439 3.097 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2ccsc2S1 ZINC000442891730 459057037 /nfs/dbraw/zinc/05/70/37/459057037.db2.gz SAKXFOYIBHNKNN-ZFWWWQNUSA-N 2 1 339.574 3.289 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000532280103 459059193 /nfs/dbraw/zinc/05/91/93/459059193.db2.gz YEQUDDSFMRSXCM-YZGWKJHDSA-N 2 1 342.483 3.073 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000532280103 459059201 /nfs/dbraw/zinc/05/92/01/459059201.db2.gz YEQUDDSFMRSXCM-YZGWKJHDSA-N 2 1 342.483 3.073 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442922266 459061601 /nfs/dbraw/zinc/06/16/01/459061601.db2.gz KCPAMXNKVMEFGH-OAHLLOKOSA-N 2 1 332.879 3.395 20 0 EGADMP Clc1ccc(-c2ccc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)o2)cc1 ZINC000567235046 459070901 /nfs/dbraw/zinc/07/09/01/459070901.db2.gz YGUYFJWCHKHIAP-QGZVFWFLSA-N 2 1 345.874 3.080 20 0 EGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000577676384 459071031 /nfs/dbraw/zinc/07/10/31/459071031.db2.gz BUVILPACXULZON-OXQOHEQNSA-N 2 1 341.499 3.228 20 0 EGADMP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443058142 459079372 /nfs/dbraw/zinc/07/93/72/459079372.db2.gz JLTGIHARASODCY-HKUYNNGSSA-N 2 1 345.531 3.123 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000443065671 459082439 /nfs/dbraw/zinc/08/24/39/459082439.db2.gz CLKCCNYTVGCOIW-PXNSSMCTSA-N 2 1 337.467 3.427 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443065164 459083513 /nfs/dbraw/zinc/08/35/13/459083513.db2.gz ZMHVPGPHFXGGCS-HOTGVXAUSA-N 2 1 331.504 3.199 20 0 EGADMP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443072506 459084968 /nfs/dbraw/zinc/08/49/68/459084968.db2.gz NPLNODPQOXVPRB-VXGBXAGGSA-N 2 1 344.286 3.381 20 0 EGADMP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443072506 459084976 /nfs/dbraw/zinc/08/49/76/459084976.db2.gz NPLNODPQOXVPRB-VXGBXAGGSA-N 2 1 344.286 3.381 20 0 EGADMP Cc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000521331644 459141046 /nfs/dbraw/zinc/14/10/46/459141046.db2.gz KXZGGDQPJILVRY-INIZCTEOSA-N 2 1 335.542 3.196 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCc4ccccc4OC3)C2)cc1 ZINC000479464040 459141760 /nfs/dbraw/zinc/14/17/60/459141760.db2.gz KPPVFSAFSYPTAC-PZJWPPBQSA-N 2 1 336.479 3.492 20 0 EGADMP O[C@H](CCc1ccccc1)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567700924 459148975 /nfs/dbraw/zinc/14/89/75/459148975.db2.gz VBNQDUKFHVVPBU-FGZHOGPDSA-N 2 1 338.495 3.092 20 0 EGADMP CC1CC[NH+]([C@H](CN[C@H]2CC[N@@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000479849197 459170310 /nfs/dbraw/zinc/17/03/10/459170310.db2.gz HRVJLMRXLGDZHG-FGTMMUONSA-N 2 1 335.561 3.451 20 0 EGADMP Cc1ccc(C)c(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000521805399 459178073 /nfs/dbraw/zinc/17/80/73/459178073.db2.gz FNVJSQFUDDVXGY-IBGZPJMESA-N 2 1 343.540 3.443 20 0 EGADMP C[C@H](NCC1([NH+](C)C)CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000480147701 459185577 /nfs/dbraw/zinc/18/55/77/459185577.db2.gz WFZUQCBXOUUOFC-KRWDZBQOSA-N 2 1 333.520 3.152 20 0 EGADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000578545708 459219974 /nfs/dbraw/zinc/21/99/74/459219974.db2.gz ZPJHGUAATDTWQU-FQEVSTJZSA-N 3 1 338.499 3.396 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000590787013 459220016 /nfs/dbraw/zinc/22/00/16/459220016.db2.gz UEWMMBPRRFXTOQ-KRWDZBQOSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000590786157 459220150 /nfs/dbraw/zinc/22/01/50/459220150.db2.gz DKROZXPGNVTLSZ-HFCFLWKCSA-N 2 1 337.552 3.122 20 0 EGADMP COc1cc2c(cc1C[N@H+]1CC[C@H](C3CC[NH+](C)CC3)C1)O[C@H](C)C2 ZINC000568140264 459231239 /nfs/dbraw/zinc/23/12/39/459231239.db2.gz CHMYEIQUSNDZMV-WBVHZDCISA-N 2 1 344.499 3.182 20 0 EGADMP CC[C@@H]1C[NH+](CCCCC[N@H+]2C[C@H](C)O[C@@H](CC)C2)C[C@H](C)O1 ZINC000533440989 459235849 /nfs/dbraw/zinc/23/58/49/459235849.db2.gz VMLCWDLTBKMFKJ-CADBVGFASA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@@H]1C[N@H+](CCCCC[NH+]2C[C@H](C)O[C@@H](CC)C2)C[C@H](C)O1 ZINC000533440989 459235858 /nfs/dbraw/zinc/23/58/58/459235858.db2.gz VMLCWDLTBKMFKJ-CADBVGFASA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@H](C)O[C@@H](CC)C2)C[C@H](C)O1 ZINC000533440989 459235863 /nfs/dbraw/zinc/23/58/63/459235863.db2.gz VMLCWDLTBKMFKJ-CADBVGFASA-N 2 1 326.525 3.155 20 0 EGADMP CC(C)C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CC(=O)OC(C)(C)C ZINC000595094694 459243537 /nfs/dbraw/zinc/24/35/37/459243537.db2.gz HHWJTQNKWJYDSU-IKGGRYGDSA-N 2 1 326.525 3.453 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000568399285 459282191 /nfs/dbraw/zinc/28/21/91/459282191.db2.gz HZCNAFBRLIDDIY-SFHVURJKSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)[C@H](C)C1 ZINC000559912282 459284218 /nfs/dbraw/zinc/28/42/18/459284218.db2.gz VOTHPXAUAUSFIM-QAPCUYQASA-N 2 1 348.560 3.374 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)[C@H](C)C1 ZINC000559912280 459284924 /nfs/dbraw/zinc/28/49/24/459284924.db2.gz VOTHPXAUAUSFIM-CRAIPNDOSA-N 2 1 348.560 3.374 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)[C@@H](C)C1 ZINC000559912283 459285188 /nfs/dbraw/zinc/28/51/88/459285188.db2.gz VOTHPXAUAUSFIM-YJBOKZPZSA-N 2 1 348.560 3.374 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(OC)c1 ZINC000482131929 459292271 /nfs/dbraw/zinc/29/22/71/459292271.db2.gz YNDLOYXLIJBORP-APWZRJJASA-N 2 1 347.503 3.124 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC000496771338 459317273 /nfs/dbraw/zinc/31/72/73/459317273.db2.gz JTHICFIUMVDQEF-HZPDHXFCSA-N 2 1 327.513 3.048 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC000496771338 459317276 /nfs/dbraw/zinc/31/72/76/459317276.db2.gz JTHICFIUMVDQEF-HZPDHXFCSA-N 2 1 327.513 3.048 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC000496771338 459317280 /nfs/dbraw/zinc/31/72/80/459317280.db2.gz JTHICFIUMVDQEF-HZPDHXFCSA-N 2 1 327.513 3.048 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000560336469 459324668 /nfs/dbraw/zinc/32/46/68/459324668.db2.gz GOSJVYBHLWSFET-KRWDZBQOSA-N 2 1 343.515 3.016 20 0 EGADMP C[NH+](C)CC[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C ZINC000483174784 459348276 /nfs/dbraw/zinc/34/82/76/459348276.db2.gz KROHNJBYQKSVFP-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000582373418 459355504 /nfs/dbraw/zinc/35/55/04/459355504.db2.gz SATRZUCLGFTBTD-FQEVSTJZSA-N 2 1 336.495 3.173 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCOC[C@@H]2CCCO2)CC1 ZINC000582413888 459360411 /nfs/dbraw/zinc/36/04/11/459360411.db2.gz XOMXEXBDVVFHDD-CBNMVNINSA-N 2 1 346.515 3.215 20 0 EGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000569002650 459380938 /nfs/dbraw/zinc/38/09/38/459380938.db2.gz BZWTWLIPSSCJNS-NHCUHLMSSA-N 3 1 329.532 3.048 20 0 EGADMP C(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)CCOC1CCCCC1 ZINC000484805974 459431725 /nfs/dbraw/zinc/43/17/25/459431725.db2.gz LPPHDJWLTPSKJW-XUVXKRRUSA-N 2 1 338.536 3.253 20 0 EGADMP C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1c(Cl)cccc1Cl ZINC000569594596 459477835 /nfs/dbraw/zinc/47/78/35/459477835.db2.gz FKOHDRWOVPXMPS-YPMHNXCESA-N 2 1 331.287 3.142 20 0 EGADMP C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1c(Cl)cccc1Cl ZINC000569594596 459477843 /nfs/dbraw/zinc/47/78/43/459477843.db2.gz FKOHDRWOVPXMPS-YPMHNXCESA-N 2 1 331.287 3.142 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000497205072 459484906 /nfs/dbraw/zinc/48/49/06/459484906.db2.gz ZVGLPAZKXXXPHQ-ROUUACIJSA-N 2 1 347.503 3.358 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000497205072 459484911 /nfs/dbraw/zinc/48/49/11/459484911.db2.gz ZVGLPAZKXXXPHQ-ROUUACIJSA-N 2 1 347.503 3.358 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000572921079 459594462 /nfs/dbraw/zinc/59/44/62/459594462.db2.gz ZCOJDTVYJLDCHP-RTRPANQVSA-N 2 1 338.442 3.411 20 0 EGADMP Cc1cccc(OC[C@@H](O)C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000573084447 459622958 /nfs/dbraw/zinc/62/29/58/459622958.db2.gz VVPGSMDHWMIWLG-ZCNNSNEGSA-N 2 1 348.531 3.082 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000584048160 459640474 /nfs/dbraw/zinc/64/04/74/459640474.db2.gz FPYMYSISGYMBOP-KKSFZXQISA-N 2 1 337.467 3.174 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000584110745 459656976 /nfs/dbraw/zinc/65/69/76/459656976.db2.gz QSYBZGNBCZVABW-MJGOQNOKSA-N 2 1 331.504 3.237 20 0 EGADMP CC(C)[NH2+]CCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000584225915 459685117 /nfs/dbraw/zinc/68/51/17/459685117.db2.gz JRMIQHYFQRPCDP-QHAWAJNXSA-N 2 1 329.532 3.265 20 0 EGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000584225915 459685123 /nfs/dbraw/zinc/68/51/23/459685123.db2.gz JRMIQHYFQRPCDP-QHAWAJNXSA-N 3 1 329.532 3.265 20 0 EGADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000584225915 459685132 /nfs/dbraw/zinc/68/51/32/459685132.db2.gz JRMIQHYFQRPCDP-QHAWAJNXSA-N 3 1 329.532 3.265 20 0 EGADMP c1ccc(COc2cccc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)c2)nc1 ZINC000596639265 459709359 /nfs/dbraw/zinc/70/93/59/459709359.db2.gz PYAWNVOMTQDVEW-ICSRJNTNSA-N 2 1 337.467 3.377 20 0 EGADMP c1ccc(COc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)nc1 ZINC000596639265 459709366 /nfs/dbraw/zinc/70/93/66/459709366.db2.gz PYAWNVOMTQDVEW-ICSRJNTNSA-N 2 1 337.467 3.377 20 0 EGADMP c1ccc(COc2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2)nc1 ZINC000596639265 459709370 /nfs/dbraw/zinc/70/93/70/459709370.db2.gz PYAWNVOMTQDVEW-ICSRJNTNSA-N 2 1 337.467 3.377 20 0 EGADMP CC(C)c1[nH+]c(CNCCC[N@@H+]2CCCO[C@@H](C)C2)c2ccccn21 ZINC000563257572 459749068 /nfs/dbraw/zinc/74/90/68/459749068.db2.gz MFVBOPLBOIGDSP-KRWDZBQOSA-N 2 1 344.503 3.048 20 0 EGADMP CC(C)c1[nH+]c(CNCCC[N@H+]2CCCO[C@@H](C)C2)c2ccccn21 ZINC000563257572 459749071 /nfs/dbraw/zinc/74/90/71/459749071.db2.gz MFVBOPLBOIGDSP-KRWDZBQOSA-N 2 1 344.503 3.048 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Cl)c2)C1 ZINC000584497373 459754072 /nfs/dbraw/zinc/75/40/72/459754072.db2.gz VAXORURKOSAFHV-LSDHHAIUSA-N 2 1 337.895 3.377 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)[C@@H]3CC34CC4)cc2)CC1 ZINC000527846629 459756782 /nfs/dbraw/zinc/75/67/82/459756782.db2.gz FUZXTWXACZBWCP-PXNSSMCTSA-N 2 1 327.516 3.102 20 0 EGADMP C[N@@H+](CCC[NH2+]CCC(=O)Nc1cccc(F)c1)Cc1ccccc1 ZINC000584715304 459788995 /nfs/dbraw/zinc/78/89/95/459788995.db2.gz PZCJUMBJPPSYLP-UHFFFAOYSA-N 2 1 343.446 3.266 20 0 EGADMP CCC(=O)N1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000574287242 459802759 /nfs/dbraw/zinc/80/27/59/459802759.db2.gz MJAMACUGMYYOKO-UHFFFAOYSA-N 2 1 343.515 3.117 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCSCc3ccccc3)C2)C1 ZINC000593315422 459839178 /nfs/dbraw/zinc/83/91/78/459839178.db2.gz JNLPGDITVQWBNR-OTWHNJEPSA-N 2 1 334.529 3.138 20 0 EGADMP CC(C)c1ccc(CC[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000546007408 459886391 /nfs/dbraw/zinc/88/63/91/459886391.db2.gz WTYFPZPFKKWFNK-JOCHJYFZSA-N 2 1 343.559 3.453 20 0 EGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2[nH]ccc2c1 ZINC000574927110 459896369 /nfs/dbraw/zinc/89/63/69/459896369.db2.gz XXZBHGWQQZXXRY-IFMALSPDSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000574927110 459896373 /nfs/dbraw/zinc/89/63/73/459896373.db2.gz XXZBHGWQQZXXRY-IFMALSPDSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000574927110 459896380 /nfs/dbraw/zinc/89/63/80/459896380.db2.gz XXZBHGWQQZXXRY-IFMALSPDSA-N 2 1 349.478 3.141 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCOc3ccccc3)CC2)C[C@H](C)O1 ZINC000588710611 459973923 /nfs/dbraw/zinc/97/39/23/459973923.db2.gz TZJOIEMQKLIORU-KDURUIRLSA-N 2 1 346.515 3.277 20 0 EGADMP C[N@@H+](CC(=O)NCC1([NH+]2CCCCC2)CCCCC1)CC(C)(C)C ZINC000588900985 460000105 /nfs/dbraw/zinc/00/01/05/460000105.db2.gz BZONTPKVOZLANH-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CCCc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000621718739 460024056 /nfs/dbraw/zinc/02/40/56/460024056.db2.gz RMFIAYVKTDQBJA-QFBILLFUSA-N 2 1 335.561 3.158 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c2ccccc21 ZINC000621756296 460051844 /nfs/dbraw/zinc/05/18/44/460051844.db2.gz KLTPIQMUOXHOAE-AZUAARDMSA-N 2 1 343.515 3.442 20 0 EGADMP CCn1cc(CC[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000621775543 460058968 /nfs/dbraw/zinc/05/89/68/460058968.db2.gz RFBYMTFPTSTPQN-NHCUHLMSSA-N 2 1 340.515 3.118 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1C ZINC000598954045 460100929 /nfs/dbraw/zinc/10/09/29/460100929.db2.gz LDEMOLCGPYSOGN-UHFFFAOYSA-N 2 1 335.492 3.018 20 0 EGADMP COC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000589743163 460135146 /nfs/dbraw/zinc/13/51/46/460135146.db2.gz AALIKDQBITYHEK-PKOBYXMFSA-N 2 1 344.499 3.363 20 0 EGADMP CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062496 460358170 /nfs/dbraw/zinc/35/81/70/460358170.db2.gz UPFJLGQEDDJKLJ-SJORKVTESA-N 2 1 333.520 3.263 20 0 EGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000611438977 460365294 /nfs/dbraw/zinc/36/52/94/460365294.db2.gz BZOZQKJFZVNFMI-QZTJIDSGSA-N 2 1 330.472 3.358 20 0 EGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000611438977 460365297 /nfs/dbraw/zinc/36/52/97/460365297.db2.gz BZOZQKJFZVNFMI-QZTJIDSGSA-N 2 1 330.472 3.358 20 0 EGADMP C[NH+](C)Cc1cccc(NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000634574211 460430446 /nfs/dbraw/zinc/43/04/46/460430446.db2.gz ZJMUXUFIKVYPAU-UHFFFAOYSA-N 2 1 339.483 3.193 20 0 EGADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000631582300 460455031 /nfs/dbraw/zinc/45/50/31/460455031.db2.gz ZWJSJUOOZAWDIS-IEBWSBKVSA-N 2 1 343.515 3.316 20 0 EGADMP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000631582303 460455285 /nfs/dbraw/zinc/45/52/85/460455285.db2.gz ZWJSJUOOZAWDIS-PKOBYXMFSA-N 2 1 343.515 3.316 20 0 EGADMP CC(C)[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000628612233 460466278 /nfs/dbraw/zinc/46/62/78/460466278.db2.gz UZWXZZVXCLERSE-HXUWFJFHSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634711353 460488969 /nfs/dbraw/zinc/48/89/69/460488969.db2.gz NJKUHNZLZCHCSH-DLBZAZTESA-N 2 1 344.421 3.190 20 0 EGADMP CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634711353 460488973 /nfs/dbraw/zinc/48/89/73/460488973.db2.gz NJKUHNZLZCHCSH-DLBZAZTESA-N 2 1 344.421 3.190 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000631667727 460502192 /nfs/dbraw/zinc/50/21/92/460502192.db2.gz RNXVQBKIVPQZKE-IMFGXOCKSA-N 2 1 338.499 3.155 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(C)c(Br)cn1 ZINC000623402776 460529996 /nfs/dbraw/zinc/52/99/96/460529996.db2.gz ZAJMKIFHVFNOMU-LLVKDONJSA-N 2 1 337.265 3.083 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000631720262 460532409 /nfs/dbraw/zinc/53/24/09/460532409.db2.gz RLOIJCYTXTZCCK-ZZTPXLKCSA-N 2 1 342.405 3.083 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000631720262 460532414 /nfs/dbraw/zinc/53/24/14/460532414.db2.gz RLOIJCYTXTZCCK-ZZTPXLKCSA-N 2 1 342.405 3.083 20 0 EGADMP c1nc2c(s1)CCC[C@@H]2[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000623852891 460742918 /nfs/dbraw/zinc/74/29/18/460742918.db2.gz FCKJLQOFOUQWNM-KRWDZBQOSA-N 2 1 343.496 3.143 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000635345028 460749109 /nfs/dbraw/zinc/74/91/09/460749109.db2.gz JVWNZJVAQZYZAN-INIZCTEOSA-N 2 1 329.488 3.341 20 0 EGADMP CCCOc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000620757001 460764653 /nfs/dbraw/zinc/76/46/53/460764653.db2.gz QPYRFDSEIHPVGI-HDICACEKSA-N 2 1 334.504 3.454 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]CC1(O)CCC(c2ccccc2)CC1 ZINC000629556709 460805468 /nfs/dbraw/zinc/80/54/68/460805468.db2.gz PHRJMMQPDDKZJY-UHFFFAOYSA-N 2 1 327.472 3.260 20 0 EGADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629562343 460809105 /nfs/dbraw/zinc/80/91/05/460809105.db2.gz BJFHVCGNVJCUQV-GJZGRUSLSA-N 2 1 330.394 3.141 20 0 EGADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629562343 460809113 /nfs/dbraw/zinc/80/91/13/460809113.db2.gz BJFHVCGNVJCUQV-GJZGRUSLSA-N 2 1 330.394 3.141 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](CCc2nsc3ccccc32)CC[C@H]1C(F)(F)F ZINC000629562138 460809855 /nfs/dbraw/zinc/80/98/55/460809855.db2.gz MAZJPLRYFMNPNU-DGCLKSJQSA-N 2 1 343.418 3.298 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCc2nsc3ccccc32)CC[C@H]1C(F)(F)F ZINC000629562138 460809859 /nfs/dbraw/zinc/80/98/59/460809859.db2.gz MAZJPLRYFMNPNU-DGCLKSJQSA-N 2 1 343.418 3.298 20 0 EGADMP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000635495039 460810404 /nfs/dbraw/zinc/81/04/04/460810404.db2.gz MGHHNFJSOKLQMJ-AZUAARDMSA-N 2 1 347.547 3.118 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000635564829 460834318 /nfs/dbraw/zinc/83/43/18/460834318.db2.gz KRFHZWUPIXLFTI-WSTZPKSXSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000635564829 460834323 /nfs/dbraw/zinc/83/43/23/460834323.db2.gz KRFHZWUPIXLFTI-WSTZPKSXSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000635564829 460834331 /nfs/dbraw/zinc/83/43/31/460834331.db2.gz KRFHZWUPIXLFTI-WSTZPKSXSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624122154 460871326 /nfs/dbraw/zinc/87/13/26/460871326.db2.gz KWWNGLFBTYYWEE-ROUUACIJSA-N 2 1 334.504 3.346 20 0 EGADMP CC[C@H]1CCC[N@H+]1Cc1ccc(-c2cnn(CC[NH+](C)C)c2)cc1 ZINC000629707054 460879712 /nfs/dbraw/zinc/87/97/12/460879712.db2.gz GLBQTDRGHFJMPR-FQEVSTJZSA-N 2 1 326.488 3.486 20 0 EGADMP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635759782 460911968 /nfs/dbraw/zinc/91/19/68/460911968.db2.gz HSNRISJLPRUHGO-HXUWFJFHSA-N 2 1 341.499 3.280 20 0 EGADMP CCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000629971142 460980142 /nfs/dbraw/zinc/98/01/42/460980142.db2.gz ASOBMPOVQKTMQC-XLIONFOSSA-N 2 1 343.515 3.155 20 0 EGADMP CCN(C(=O)C[N@H+](C)C1CCC1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000629971142 460980152 /nfs/dbraw/zinc/98/01/52/460980152.db2.gz ASOBMPOVQKTMQC-XLIONFOSSA-N 2 1 343.515 3.155 20 0 EGADMP CCN(C(=O)C[N@@H+](C)C1CCC1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000629971142 460980157 /nfs/dbraw/zinc/98/01/57/460980157.db2.gz ASOBMPOVQKTMQC-XLIONFOSSA-N 2 1 343.515 3.155 20 0 EGADMP CCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000629971140 460980331 /nfs/dbraw/zinc/98/03/31/460980331.db2.gz ASOBMPOVQKTMQC-FXAWDEMLSA-N 2 1 343.515 3.155 20 0 EGADMP CCN(C(=O)C[N@H+](C)C1CCC1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000629971140 460980335 /nfs/dbraw/zinc/98/03/35/460980335.db2.gz ASOBMPOVQKTMQC-FXAWDEMLSA-N 2 1 343.515 3.155 20 0 EGADMP CCN(C(=O)C[N@@H+](C)C1CCC1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000629971140 460980340 /nfs/dbraw/zinc/98/03/40/460980340.db2.gz ASOBMPOVQKTMQC-FXAWDEMLSA-N 2 1 343.515 3.155 20 0 EGADMP CCOc1cncc(CN[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000621340437 460997234 /nfs/dbraw/zinc/99/72/34/460997234.db2.gz FBSBARFRZKITRV-LPHOPBHVSA-N 2 1 325.456 3.233 20 0 EGADMP CCOc1cncc(CN[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000621340437 460997242 /nfs/dbraw/zinc/99/72/42/460997242.db2.gz FBSBARFRZKITRV-LPHOPBHVSA-N 2 1 325.456 3.233 20 0 EGADMP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000633375297 461063565 /nfs/dbraw/zinc/06/35/65/461063565.db2.gz JWJYLOWNACTPQF-SFHVURJKSA-N 2 1 345.487 3.102 20 0 EGADMP CCCCc1nc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000652348559 461141829 /nfs/dbraw/zinc/14/18/29/461141829.db2.gz IDUUODAFNMMTTN-ZOBUZTSGSA-N 2 1 337.533 3.204 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3coc(-c4cccs4)n3)C2)C1 ZINC000652348824 461143330 /nfs/dbraw/zinc/14/33/30/461143330.db2.gz SKJJLNNFPOYEAB-IIAWOOMASA-N 2 1 347.484 3.121 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+]([C@H](C(=O)Nc1ccccc1)c1ccccc1)C2 ZINC000652351185 461145458 /nfs/dbraw/zinc/14/54/58/461145458.db2.gz KXLIUEPNWXRQGF-VCOUNFBDSA-N 2 1 349.478 3.427 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@H](C(=O)Nc1ccccc1)c1ccccc1)C2 ZINC000652351185 461145470 /nfs/dbraw/zinc/14/54/70/461145470.db2.gz KXLIUEPNWXRQGF-VCOUNFBDSA-N 2 1 349.478 3.427 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC000662290618 461168602 /nfs/dbraw/zinc/16/86/02/461168602.db2.gz GLPWPVQYBWSOOD-DOTOQJQBSA-N 2 1 347.478 3.173 20 0 EGADMP Fc1cccc(-n2ccc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)c1 ZINC000662293948 461173717 /nfs/dbraw/zinc/17/37/17/461173717.db2.gz VNJANYBMZZILTC-QGZVFWFLSA-N 2 1 342.462 3.223 20 0 EGADMP Cn1ncc(C2CC2)c1C[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000668229056 461194330 /nfs/dbraw/zinc/19/43/30/461194330.db2.gz XNWPTRURGCLDLZ-UHFFFAOYSA-N 2 1 344.425 3.146 20 0 EGADMP Cn1ncc(C2CC2)c1C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000668229056 461194337 /nfs/dbraw/zinc/19/43/37/461194337.db2.gz XNWPTRURGCLDLZ-UHFFFAOYSA-N 2 1 344.425 3.146 20 0 EGADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](CCc2ccccc2)CC1 ZINC000662328106 461195302 /nfs/dbraw/zinc/19/53/02/461195302.db2.gz YMHLGSAYJQTJGT-UHFFFAOYSA-N 2 1 338.499 3.299 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)C1=CC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000638080475 461230880 /nfs/dbraw/zinc/23/08/80/461230880.db2.gz NVHVWYPJFNGLGH-LJQANCHMSA-N 2 1 341.499 3.115 20 0 EGADMP CC(C)CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000638111335 461244797 /nfs/dbraw/zinc/24/47/97/461244797.db2.gz DUFXGOLVPLHCHB-RLLQIKCJSA-N 2 1 345.531 3.261 20 0 EGADMP CC(C)CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000638111336 461245498 /nfs/dbraw/zinc/24/54/98/461245498.db2.gz DUFXGOLVPLHCHB-SXLOBPIMSA-N 2 1 345.531 3.261 20 0 EGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)c2C1 ZINC000655446780 461254110 /nfs/dbraw/zinc/25/41/10/461254110.db2.gz APKYGPIQYKGSCN-GHTZIAJQSA-N 2 1 341.499 3.377 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000638137768 461266474 /nfs/dbraw/zinc/26/64/74/461266474.db2.gz NJCABWBLWOROOC-PSWRPDDJSA-N 2 1 341.543 3.138 20 0 EGADMP FC1(F)CC12CC[NH+](CCC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000649773065 461338205 /nfs/dbraw/zinc/33/82/05/461338205.db2.gz HXOUTENGLLIEOU-UHFFFAOYSA-N 2 1 349.469 3.320 20 0 EGADMP CC(C)Oc1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655685438 461361091 /nfs/dbraw/zinc/36/10/91/461361091.db2.gz DAUWHHRWPOAOME-OAQYLSRUSA-N 2 1 346.515 3.249 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000668631029 461364683 /nfs/dbraw/zinc/36/46/83/461364683.db2.gz MVDREGGRRWZVJV-TZIWHRDSSA-N 2 1 346.515 3.408 20 0 EGADMP CC(C)COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655696147 461368165 /nfs/dbraw/zinc/36/81/65/461368165.db2.gz BNAHNRPRTJSBKF-LJQANCHMSA-N 2 1 332.488 3.064 20 0 EGADMP CC(C)(C)OCc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655704821 461375991 /nfs/dbraw/zinc/37/59/91/461375991.db2.gz LWEVSEOODGBXLD-FQEVSTJZSA-N 2 1 346.515 3.345 20 0 EGADMP Fc1ccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCC2)cc1 ZINC000655713557 461382620 /nfs/dbraw/zinc/38/26/20/461382620.db2.gz QYVPDHIJBJZEAD-IBGZPJMESA-N 2 1 332.463 3.090 20 0 EGADMP COc1ccc([C@@H](C)CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655716260 461385333 /nfs/dbraw/zinc/38/53/33/461385333.db2.gz VFRQPNXQBQCBRL-UWJYYQICSA-N 2 1 346.515 3.422 20 0 EGADMP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655724962 461394031 /nfs/dbraw/zinc/39/40/31/461394031.db2.gz MGNFWYQGKIDSGA-NZSAHSFTSA-N 2 1 338.536 3.061 20 0 EGADMP COc1ccc(C[C@H](C)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655737633 461405061 /nfs/dbraw/zinc/40/50/61/461405061.db2.gz PTJIWSAPXCQLOI-LAUBAEHRSA-N 2 1 346.515 3.107 20 0 EGADMP Fc1ccc(C2([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCC2)cc1 ZINC000655741307 461407523 /nfs/dbraw/zinc/40/75/23/461407523.db2.gz HEEGHUQYADHVAF-LJQANCHMSA-N 2 1 332.463 3.438 20 0 EGADMP c1cncc(-c2cccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)c2)c1 ZINC000655754848 461419455 /nfs/dbraw/zinc/41/94/55/461419455.db2.gz KFWCUBGMLAKMIN-OAQYLSRUSA-N 2 1 337.467 3.092 20 0 EGADMP C[C@H](N[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C(=O)NC(C)(C)C ZINC000638426537 461423122 /nfs/dbraw/zinc/42/31/22/461423122.db2.gz UQHYIEKJPOKILV-KVSKMBFKSA-N 2 1 343.515 3.247 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)C(=O)NC(C)(C)C ZINC000638426537 461423129 /nfs/dbraw/zinc/42/31/29/461423129.db2.gz UQHYIEKJPOKILV-KVSKMBFKSA-N 2 1 343.515 3.247 20 0 EGADMP Fc1ccc(CCCCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655756273 461423264 /nfs/dbraw/zinc/42/32/64/461423264.db2.gz PYJIUHJFRWQXFA-FQEVSTJZSA-N 2 1 334.479 3.381 20 0 EGADMP Cc1cc2cc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)ccc2[nH]1 ZINC000655769486 461434968 /nfs/dbraw/zinc/43/49/68/461434968.db2.gz ZMKBBYKZNQMWCI-IBGZPJMESA-N 2 1 327.472 3.209 20 0 EGADMP c1cc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)ccc1C[NH+]1CCCCC1 ZINC000663095132 461454424 /nfs/dbraw/zinc/45/44/24/461454424.db2.gz VBLSCEQIHAWZHH-SFTDATJTSA-N 2 1 344.499 3.052 20 0 EGADMP c1cc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)ccc1C[NH+]1CCCCC1 ZINC000663095132 461454430 /nfs/dbraw/zinc/45/44/30/461454430.db2.gz VBLSCEQIHAWZHH-SFTDATJTSA-N 2 1 344.499 3.052 20 0 EGADMP OCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000666120658 461461680 /nfs/dbraw/zinc/46/16/80/461461680.db2.gz PBGFHAGBMUWGQV-QFBILLFUSA-N 2 1 336.907 3.413 20 0 EGADMP Cc1ccccc1C[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000642341747 461500074 /nfs/dbraw/zinc/50/00/74/461500074.db2.gz UIKCBZWYAZKZPE-JOCHJYFZSA-N 2 1 337.511 3.463 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CS[C@H](C)C3)CC2)cs1 ZINC000638622934 461507893 /nfs/dbraw/zinc/50/78/93/461507893.db2.gz DUCCOWLAYGTDFI-HIFRSBDPSA-N 2 1 339.574 3.401 20 0 EGADMP COc1ccccc1N1CCC([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000631063356 461515018 /nfs/dbraw/zinc/51/50/18/461515018.db2.gz CNEDWBRIJSBOQQ-GOSISDBHSA-N 2 1 345.531 3.374 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000659980135 461526443 /nfs/dbraw/zinc/52/64/43/461526443.db2.gz RPBZJFOVCOGNGS-MRXNPFEDSA-N 2 1 347.528 3.272 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653168946 461534306 /nfs/dbraw/zinc/53/43/06/461534306.db2.gz UYTBAADWQVRFDA-NSISKUIASA-N 2 1 347.547 3.020 20 0 EGADMP O[C@@H]1CCCC[C@H]1[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000660009918 461544365 /nfs/dbraw/zinc/54/43/65/461544365.db2.gz CZFQVRYJRGRHEP-DOIPELPJSA-N 2 1 328.500 3.276 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000660009918 461544371 /nfs/dbraw/zinc/54/43/71/461544371.db2.gz CZFQVRYJRGRHEP-DOIPELPJSA-N 2 1 328.500 3.276 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000660009918 461544377 /nfs/dbraw/zinc/54/43/77/461544377.db2.gz CZFQVRYJRGRHEP-DOIPELPJSA-N 2 1 328.500 3.276 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CCO[C@H]3C3CC3)CC23CC3)cc1 ZINC000647197366 461560240 /nfs/dbraw/zinc/56/02/40/461560240.db2.gz PUKQTLIMHVHJKX-UFYCRDLUSA-N 2 1 326.484 3.341 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCO[C@H]3C3CC3)CC23CC3)cc1 ZINC000647197366 461560251 /nfs/dbraw/zinc/56/02/51/461560251.db2.gz PUKQTLIMHVHJKX-UFYCRDLUSA-N 2 1 326.484 3.341 20 0 EGADMP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343725 461572333 /nfs/dbraw/zinc/57/23/33/461572333.db2.gz CMBCOKRPSKMGLE-TZIWHRDSSA-N 2 1 344.499 3.066 20 0 EGADMP Brc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)nc1 ZINC000663345403 461574365 /nfs/dbraw/zinc/57/43/65/461574365.db2.gz KBMQXJMAEANLOT-CQSZACIVSA-N 2 1 338.293 3.056 20 0 EGADMP Brc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)nc1 ZINC000663345403 461574372 /nfs/dbraw/zinc/57/43/72/461574372.db2.gz KBMQXJMAEANLOT-CQSZACIVSA-N 2 1 338.293 3.056 20 0 EGADMP C[C@H]1C[C@H](CC[NH2+]CCCc2cnn(C)c2)C[N@H+]1Cc1ccccc1 ZINC000638797396 461585099 /nfs/dbraw/zinc/58/50/99/461585099.db2.gz QSYXPFQSSAPLKH-ICSRJNTNSA-N 2 1 340.515 3.243 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]CCC(=O)N(C)c2ccccc2)C1 ZINC000663357933 461586287 /nfs/dbraw/zinc/58/62/87/461586287.db2.gz ZYLDMLBCHSIZED-KDURUIRLSA-N 2 1 345.531 3.387 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCSC3(CCC3)CC2)cc1 ZINC000666404439 461606960 /nfs/dbraw/zinc/60/69/60/461606960.db2.gz CKERCGSRZLOWRI-UHFFFAOYSA-N 2 1 334.529 3.489 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1c(C2CC2)cnn1C ZINC000631192857 461632926 /nfs/dbraw/zinc/63/29/26/461632926.db2.gz AUZRKKHIFNESJZ-QFBILLFUSA-N 2 1 338.499 3.155 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1c(C2CC2)cnn1C ZINC000631192857 461632930 /nfs/dbraw/zinc/63/29/30/461632930.db2.gz AUZRKKHIFNESJZ-QFBILLFUSA-N 2 1 338.499 3.155 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000631197052 461637750 /nfs/dbraw/zinc/63/77/50/461637750.db2.gz WNDOUBFJOJMQKJ-MAUKXSAKSA-N 2 1 348.441 3.006 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000631197052 461637756 /nfs/dbraw/zinc/63/77/56/461637756.db2.gz WNDOUBFJOJMQKJ-MAUKXSAKSA-N 2 1 348.441 3.006 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(F)c1N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638915396 461647150 /nfs/dbraw/zinc/64/71/50/461647150.db2.gz LQTUDZYSJRLTGL-MAUKXSAKSA-N 2 1 327.447 3.408 20 0 EGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663467169 461656741 /nfs/dbraw/zinc/65/67/41/461656741.db2.gz DDNZHCBBGDPOKK-QAPCUYQASA-N 2 1 329.488 3.418 20 0 EGADMP CCn1nccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000663470245 461659258 /nfs/dbraw/zinc/65/92/58/461659258.db2.gz UDJNTZXQINVTFL-NJYVYQBISA-N 2 1 338.499 3.436 20 0 EGADMP CCn1nccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000663470245 461659264 /nfs/dbraw/zinc/65/92/64/461659264.db2.gz UDJNTZXQINVTFL-NJYVYQBISA-N 2 1 338.499 3.436 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000660254862 461667717 /nfs/dbraw/zinc/66/77/17/461667717.db2.gz WTIPDHHXMWRUAS-ROUUACIJSA-N 2 1 332.513 3.323 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000660254862 461667723 /nfs/dbraw/zinc/66/77/23/461667723.db2.gz WTIPDHHXMWRUAS-ROUUACIJSA-N 2 1 332.513 3.323 20 0 EGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000643462285 461734748 /nfs/dbraw/zinc/73/47/48/461734748.db2.gz ZFVNLOPOMAPMFV-UXHICEINSA-N 2 1 325.456 3.410 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@@H]1[NH3+] ZINC000647498316 461737155 /nfs/dbraw/zinc/73/71/55/461737155.db2.gz FDOWXRFETBYTEJ-PXNSSMCTSA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)CC[C@H]1[NH3+] ZINC000647498872 461738446 /nfs/dbraw/zinc/73/84/46/461738446.db2.gz SMPMNQRTBVAFAC-CRAIPNDOSA-N 2 1 332.879 3.144 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)CC[C@H]1[NH3+] ZINC000647498872 461738455 /nfs/dbraw/zinc/73/84/55/461738455.db2.gz SMPMNQRTBVAFAC-CRAIPNDOSA-N 2 1 332.879 3.144 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnn(Cc4ccccc4Cl)c3)C[C@H]21 ZINC000647511409 461741475 /nfs/dbraw/zinc/74/14/75/461741475.db2.gz IQDIACCQHDMWTK-SZVBFZGTSA-N 2 1 344.890 3.144 20 0 EGADMP C[C@H](N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CCC[NH2+]1 ZINC000643480204 461741605 /nfs/dbraw/zinc/74/16/05/461741605.db2.gz FTOPEMDQMNLFQY-JBINPLMMSA-N 2 1 327.516 3.017 20 0 EGADMP CCc1nn(C)cc1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000647532576 461750062 /nfs/dbraw/zinc/75/00/62/461750062.db2.gz IGJKNQSODIGHDL-RXVVDRJESA-N 2 1 340.515 3.155 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647535668 461751863 /nfs/dbraw/zinc/75/18/63/461751863.db2.gz UGQLBAZOXNRWCE-HNNXBMFYSA-N 2 1 332.879 3.146 20 0 EGADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543156 461756282 /nfs/dbraw/zinc/75/62/82/461756282.db2.gz IHKCTVWXYUQWDN-SJORKVTESA-N 2 1 325.456 3.152 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC34CC[NH2+]CC4)[C@@H]3CCC[C@H]32)cc1 ZINC000643536419 461756928 /nfs/dbraw/zinc/75/69/28/461756928.db2.gz QQVBUVNLCZQTIQ-UWHLTILDSA-N 3 1 339.527 3.161 20 0 EGADMP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC34CC[NH2+]CC4)[C@@H]3CCC[C@H]32)cc1 ZINC000643536419 461756935 /nfs/dbraw/zinc/75/69/35/461756935.db2.gz QQVBUVNLCZQTIQ-UWHLTILDSA-N 2 1 339.527 3.161 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC34CC[NH2+]CC4)[C@H]3CCC[C@@H]32)cc1 ZINC000643536417 461757473 /nfs/dbraw/zinc/75/74/73/461757473.db2.gz QQVBUVNLCZQTIQ-IVAOSVALSA-N 3 1 339.527 3.161 20 0 EGADMP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC34CC[NH2+]CC4)[C@H]3CCC[C@@H]32)cc1 ZINC000643536417 461757480 /nfs/dbraw/zinc/75/74/80/461757480.db2.gz QQVBUVNLCZQTIQ-IVAOSVALSA-N 2 1 339.527 3.161 20 0 EGADMP c1sc(-c2ccccn2)nc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542873 461757827 /nfs/dbraw/zinc/75/78/27/461757827.db2.gz DHAVTLBAQNMMPX-CVEARBPZSA-N 2 1 342.512 3.417 20 0 EGADMP Cc1cc(CO)cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000663694631 461759555 /nfs/dbraw/zinc/75/95/55/461759555.db2.gz PZXRYNYWGIVYCR-HNAYVOBHSA-N 2 1 325.456 3.205 20 0 EGADMP Cc1cc(CO)cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000663694631 461759561 /nfs/dbraw/zinc/75/95/61/461759561.db2.gz PZXRYNYWGIVYCR-HNAYVOBHSA-N 2 1 325.456 3.205 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)CC[NH2+]1 ZINC000666687234 461760235 /nfs/dbraw/zinc/76/02/35/461760235.db2.gz GWHGLZPOIOJCPH-ZHALLVOQSA-N 2 1 344.503 3.051 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccncc3Br)C2)CC1 ZINC000639175973 461781863 /nfs/dbraw/zinc/78/18/63/461781863.db2.gz BYIZILGCZZPRRX-AWEZNQCLSA-N 2 1 338.293 3.008 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CCC[C@@H]3C[NH+](C)CC[C@@H]31)CC2 ZINC000639177222 461782864 /nfs/dbraw/zinc/78/28/64/461782864.db2.gz BXEKWRWSXRUJMH-BPQIPLTHSA-N 2 1 330.472 3.107 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CCC[C@@H]3C[N@H+](C)CC[C@@H]31)CC2 ZINC000639177222 461782869 /nfs/dbraw/zinc/78/28/69/461782869.db2.gz BXEKWRWSXRUJMH-BPQIPLTHSA-N 2 1 330.472 3.107 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CCC[C@@H]3C[N@@H+](C)CC[C@@H]31)CC2 ZINC000639177222 461782873 /nfs/dbraw/zinc/78/28/73/461782873.db2.gz BXEKWRWSXRUJMH-BPQIPLTHSA-N 2 1 330.472 3.107 20 0 EGADMP CO[C@@H]1CCC[NH+](CC[C@@H](C)CC[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000663758687 461792040 /nfs/dbraw/zinc/79/20/40/461792040.db2.gz ADUDPYSOGOQMRQ-OWZKRDHZSA-N 2 1 340.552 3.405 20 0 EGADMP CO[C@@H]1CCC[N@@H+](CC[C@@H](C)CC[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000663758687 461792043 /nfs/dbraw/zinc/79/20/43/461792043.db2.gz ADUDPYSOGOQMRQ-OWZKRDHZSA-N 2 1 340.552 3.405 20 0 EGADMP CO[C@@H]1CCC[N@H+](CC[C@@H](C)CC[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000663758687 461792049 /nfs/dbraw/zinc/79/20/49/461792049.db2.gz ADUDPYSOGOQMRQ-OWZKRDHZSA-N 2 1 340.552 3.405 20 0 EGADMP COCC1([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000639204239 461802292 /nfs/dbraw/zinc/80/22/92/461802292.db2.gz LNZINZPQUOZJRS-UYAOXDASSA-N 2 1 344.499 3.140 20 0 EGADMP COCC1([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000639204239 461802298 /nfs/dbraw/zinc/80/22/98/461802298.db2.gz LNZINZPQUOZJRS-UYAOXDASSA-N 2 1 344.499 3.140 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@@H](C)CN1C[C@H](O)C[N@@H+](C)C(C)C ZINC000660533065 461836334 /nfs/dbraw/zinc/83/63/34/461836334.db2.gz BJSJGGHDZQBTEJ-LMMKCTJWSA-N 2 1 334.504 3.169 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000660533065 461836342 /nfs/dbraw/zinc/83/63/42/461836342.db2.gz BJSJGGHDZQBTEJ-LMMKCTJWSA-N 2 1 334.504 3.169 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000660533065 461836348 /nfs/dbraw/zinc/83/63/48/461836348.db2.gz BJSJGGHDZQBTEJ-LMMKCTJWSA-N 2 1 334.504 3.169 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@@H](C)C[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000660533065 461836352 /nfs/dbraw/zinc/83/63/52/461836352.db2.gz BJSJGGHDZQBTEJ-LMMKCTJWSA-N 2 1 334.504 3.169 20 0 EGADMP COc1ccccc1[C@@H]1CC[C@@H](C)C[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000660533065 461836360 /nfs/dbraw/zinc/83/63/60/461836360.db2.gz BJSJGGHDZQBTEJ-LMMKCTJWSA-N 2 1 334.504 3.169 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000660550090 461848639 /nfs/dbraw/zinc/84/86/39/461848639.db2.gz SXCRDOOSFBGVGZ-GOEBONIOSA-N 2 1 346.437 3.269 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000660550090 461848645 /nfs/dbraw/zinc/84/86/45/461848645.db2.gz SXCRDOOSFBGVGZ-GOEBONIOSA-N 2 1 346.437 3.269 20 0 EGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000660550090 461848652 /nfs/dbraw/zinc/84/86/52/461848652.db2.gz SXCRDOOSFBGVGZ-GOEBONIOSA-N 2 1 346.437 3.269 20 0 EGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000660550090 461848658 /nfs/dbraw/zinc/84/86/58/461848658.db2.gz SXCRDOOSFBGVGZ-GOEBONIOSA-N 2 1 346.437 3.269 20 0 EGADMP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(F)c4ccccc34)CC2)C1 ZINC000639331391 461864433 /nfs/dbraw/zinc/86/44/33/461864433.db2.gz SYDRTOGVRGIUCY-QGZVFWFLSA-N 2 1 328.431 3.010 20 0 EGADMP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc(F)c4ccccc34)CC2)C1 ZINC000639331391 461864437 /nfs/dbraw/zinc/86/44/37/461864437.db2.gz SYDRTOGVRGIUCY-QGZVFWFLSA-N 2 1 328.431 3.010 20 0 EGADMP CN(CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)CC(F)F ZINC000639356041 461879481 /nfs/dbraw/zinc/87/94/81/461879481.db2.gz FLEUROHWHHQHLW-WMZOPIPTSA-N 2 1 337.458 3.141 20 0 EGADMP CN(CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)CC(F)F ZINC000639356041 461879490 /nfs/dbraw/zinc/87/94/90/461879490.db2.gz FLEUROHWHHQHLW-WMZOPIPTSA-N 2 1 337.458 3.141 20 0 EGADMP CC[C@@H]1C[N@@H+](CC2(COc3cccc(COC)c3)CCC2)CC[C@@H]1[NH3+] ZINC000647934877 461892213 /nfs/dbraw/zinc/89/22/13/461892213.db2.gz SZICLSGZNWCJCR-QUCCMNQESA-N 2 1 346.515 3.441 20 0 EGADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647938358 461895640 /nfs/dbraw/zinc/89/56/40/461895640.db2.gz KQLBOQKYBZUVAO-QAPCUYQASA-N 2 1 325.456 3.228 20 0 EGADMP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC000639376442 461895750 /nfs/dbraw/zinc/89/57/50/461895750.db2.gz JFZDXOAUMOVKCW-UHFFFAOYSA-N 2 1 339.487 3.108 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc2cccnc12 ZINC000650707222 461899425 /nfs/dbraw/zinc/89/94/25/461899425.db2.gz ANIXLCCFDLFHJJ-ZCNNSNEGSA-N 2 1 339.483 3.262 20 0 EGADMP CCOc1c(OC)cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000650711191 461904748 /nfs/dbraw/zinc/90/47/48/461904748.db2.gz LESMPRUFSKZCFJ-HOCLYGCPSA-N 2 1 336.476 3.052 20 0 EGADMP Clc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc2c1OCCCO2 ZINC000666998467 461905948 /nfs/dbraw/zinc/90/59/48/461905948.db2.gz VNVWICSNICSLQB-AWEZNQCLSA-N 2 1 336.863 3.266 20 0 EGADMP c1ccc(C(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2)cc1 ZINC000647971872 461913535 /nfs/dbraw/zinc/91/35/35/461913535.db2.gz WTFOMESCMZVETL-SFTDATJTSA-N 2 1 336.479 3.334 20 0 EGADMP c1ccc(C(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)cc1 ZINC000647971869 461914392 /nfs/dbraw/zinc/91/43/92/461914392.db2.gz WTFOMESCMZVETL-LEWJYISDSA-N 2 1 336.479 3.334 20 0 EGADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1F ZINC000650723090 461914681 /nfs/dbraw/zinc/91/46/81/461914681.db2.gz HKJCKOKLGUYZBP-KVSKMBFKSA-N 2 1 336.451 3.085 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(F)cc(Cl)c2)C1 ZINC000650722844 461914989 /nfs/dbraw/zinc/91/49/89/461914989.db2.gz CFZLFDCEVASAQU-BRWVUGGUSA-N 2 1 326.843 3.340 20 0 EGADMP CC1(C)Cc2cccc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)c2O1 ZINC000650723666 461916475 /nfs/dbraw/zinc/91/64/75/461916475.db2.gz ROICSYKFLMOGGI-IPMKNSEASA-N 2 1 344.499 3.261 20 0 EGADMP CSc1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647975264 461916835 /nfs/dbraw/zinc/91/68/35/461916835.db2.gz SZQVYNPEKOEXHF-CVEARBPZSA-N 2 1 347.528 3.059 20 0 EGADMP COc1ccc(OCCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975892 461917089 /nfs/dbraw/zinc/91/70/89/461917089.db2.gz HHHWLLWQABMRNI-ZWKOTPCHSA-N 2 1 332.488 3.176 20 0 EGADMP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647975446 461917311 /nfs/dbraw/zinc/91/73/11/461917311.db2.gz AKPJGNRAYALCON-FHWLQOOXSA-N 2 1 343.515 3.140 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC000647978892 461920246 /nfs/dbraw/zinc/92/02/46/461920246.db2.gz ZXQYTKKWVCQMKC-FHWLQOOXSA-N 2 1 343.515 3.342 20 0 EGADMP C[C@H](NCc1ccc(C[NH3+])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000650754213 461934360 /nfs/dbraw/zinc/93/43/60/461934360.db2.gz DDPWVSCZADZUJU-JXFKEZNVSA-N 2 1 341.474 3.285 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000650754213 461934364 /nfs/dbraw/zinc/93/43/64/461934364.db2.gz DDPWVSCZADZUJU-JXFKEZNVSA-N 3 1 341.474 3.285 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000650754213 461934366 /nfs/dbraw/zinc/93/43/66/461934366.db2.gz DDPWVSCZADZUJU-JXFKEZNVSA-N 3 1 341.474 3.285 20 0 EGADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)CCCO2 ZINC000650753970 461934807 /nfs/dbraw/zinc/93/48/07/461934807.db2.gz ZJIUMDLRUHPDFQ-GOSISDBHSA-N 2 1 330.403 3.297 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC3CC[NH2+]CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000650761805 461940085 /nfs/dbraw/zinc/94/00/85/461940085.db2.gz KXODQXDGNVLUDQ-FKBYEOEOSA-N 3 1 341.543 3.409 20 0 EGADMP c1ccc(CN2CC[C@H]([NH2+]CCC3CC[NH2+]CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000650761805 461940091 /nfs/dbraw/zinc/94/00/91/461940091.db2.gz KXODQXDGNVLUDQ-FKBYEOEOSA-N 2 1 341.543 3.409 20 0 EGADMP C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)Cc1cccs1 ZINC000644575330 461992074 /nfs/dbraw/zinc/99/20/74/461992074.db2.gz GOEDAWBLNZINDD-AEFFLSMTSA-N 2 1 332.513 3.009 20 0 EGADMP C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)Cc1cccs1 ZINC000644575330 461992079 /nfs/dbraw/zinc/99/20/79/461992079.db2.gz GOEDAWBLNZINDD-AEFFLSMTSA-N 2 1 332.513 3.009 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657304644 462031334 /nfs/dbraw/zinc/03/13/34/462031334.db2.gz PWSQEPASVJNBBY-HXUWFJFHSA-N 2 1 332.488 3.064 20 0 EGADMP Cc1c(Br)cncc1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000657348340 462062796 /nfs/dbraw/zinc/06/27/96/462062796.db2.gz SEEVQRKMQKVXGX-CQSZACIVSA-N 2 1 340.309 3.363 20 0 EGADMP Cc1c(Br)cncc1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000657348340 462062801 /nfs/dbraw/zinc/06/28/01/462062801.db2.gz SEEVQRKMQKVXGX-CQSZACIVSA-N 2 1 340.309 3.363 20 0 EGADMP OCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000648446441 462121824 /nfs/dbraw/zinc/12/18/24/462121824.db2.gz OXMLDBBDQPTOMA-VQIMIIECSA-N 2 1 336.907 3.098 20 0 EGADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(C[NH+]2CCCC2)cc1 ZINC000654307268 462148408 /nfs/dbraw/zinc/14/84/08/462148408.db2.gz QUSGVGXJBACZGV-WOJBJXKFSA-N 2 1 341.499 3.029 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000667670997 462204167 /nfs/dbraw/zinc/20/41/67/462204167.db2.gz DYOCVJUYPRQFOJ-AZUAARDMSA-N 2 1 346.515 3.408 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000667670997 462204173 /nfs/dbraw/zinc/20/41/73/462204173.db2.gz DYOCVJUYPRQFOJ-AZUAARDMSA-N 2 1 346.515 3.408 20 0 EGADMP Fc1ccc(COc2ccccc2C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000667713006 462227918 /nfs/dbraw/zinc/22/79/18/462227918.db2.gz VGYWNLQYWSRTBY-IAGOWNOFSA-N 2 1 344.405 3.195 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000648814796 462289343 /nfs/dbraw/zinc/28/93/43/462289343.db2.gz SMXIBANQUFUSDK-KRWDZBQOSA-N 2 1 348.535 3.271 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651679379 462301070 /nfs/dbraw/zinc/30/10/70/462301070.db2.gz ZEAAZLQSRGDSEN-HDICACEKSA-N 2 1 341.503 3.115 20 0 EGADMP COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000651758880 462326930 /nfs/dbraw/zinc/32/69/30/462326930.db2.gz QXLGYCIXBUNKPE-WOJBJXKFSA-N 2 1 348.531 3.184 20 0 EGADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000661642294 462344359 /nfs/dbraw/zinc/34/43/59/462344359.db2.gz DHHNAFYWJQIETF-NRFANRHFSA-N 2 1 329.532 3.111 20 0 EGADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(CC[C@@H]2CCCC[NH+]2C)C1 ZINC000661645429 462346497 /nfs/dbraw/zinc/34/64/97/462346497.db2.gz RBKGYKMYAUMFOH-SFTDATJTSA-N 2 1 329.532 3.110 20 0 EGADMP C[NH+](CCc1ccccc1)[C@H]1CCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000661645429 462346505 /nfs/dbraw/zinc/34/65/05/462346505.db2.gz RBKGYKMYAUMFOH-SFTDATJTSA-N 2 1 329.532 3.110 20 0 EGADMP C[NH+](CCc1ccccc1)[C@H]1CCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000661645429 462346511 /nfs/dbraw/zinc/34/65/11/462346511.db2.gz RBKGYKMYAUMFOH-SFTDATJTSA-N 2 1 329.532 3.110 20 0 EGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000651829784 462351301 /nfs/dbraw/zinc/35/13/01/462351301.db2.gz MYLPVLZLEGZETQ-GOSISDBHSA-N 2 1 326.488 3.311 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)c2ccccc21 ZINC000665289615 462387663 /nfs/dbraw/zinc/38/76/63/462387663.db2.gz SOIXLGDKBZCDNC-XRXFAXGQSA-N 2 1 349.478 3.462 20 0 EGADMP C[C@@H](NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1)c1ccccc1 ZINC000640534173 462432977 /nfs/dbraw/zinc/43/29/77/462432977.db2.gz MTWFXCHRRCRFMK-GOSISDBHSA-N 2 1 331.504 3.062 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cnc(-c3ccccc3)s1)CCO2 ZINC000646103143 462518985 /nfs/dbraw/zinc/51/89/85/462518985.db2.gz DWNSEGJFDHMILV-UHFFFAOYSA-N 2 1 343.496 3.107 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cnc(-c3ccccc3)s1)CCO2 ZINC000646103143 462518987 /nfs/dbraw/zinc/51/89/87/462518987.db2.gz DWNSEGJFDHMILV-UHFFFAOYSA-N 2 1 343.496 3.107 20 0 EGADMP CCc1nc(C(C)C)ccc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106733 462519300 /nfs/dbraw/zinc/51/93/00/462519300.db2.gz OTTSSNQBMPZQRF-UHFFFAOYSA-N 2 1 331.504 3.064 20 0 EGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106733 462519304 /nfs/dbraw/zinc/51/93/04/462519304.db2.gz OTTSSNQBMPZQRF-UHFFFAOYSA-N 2 1 331.504 3.064 20 0 EGADMP C[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178253504 533808270 /nfs/dbraw/zinc/80/82/70/533808270.db2.gz OCINTKOTHDKPQM-KRWDZBQOSA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000173924142 527835328 /nfs/dbraw/zinc/83/53/28/527835328.db2.gz SKMWTKPWLKXWNX-HXUWFJFHSA-N 2 1 339.483 3.434 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000173924142 527835331 /nfs/dbraw/zinc/83/53/31/527835331.db2.gz SKMWTKPWLKXWNX-HXUWFJFHSA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000173924142 527835336 /nfs/dbraw/zinc/83/53/36/527835336.db2.gz SKMWTKPWLKXWNX-HXUWFJFHSA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000173924142 527835339 /nfs/dbraw/zinc/83/53/39/527835339.db2.gz SKMWTKPWLKXWNX-HXUWFJFHSA-N 2 1 339.483 3.434 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000173907254 527836319 /nfs/dbraw/zinc/83/63/19/527836319.db2.gz ALTCORODJGVVSO-OAHLLOKOSA-N 2 1 330.394 3.401 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000173907254 527836323 /nfs/dbraw/zinc/83/63/23/527836323.db2.gz ALTCORODJGVVSO-OAHLLOKOSA-N 2 1 330.394 3.401 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000173907254 527836328 /nfs/dbraw/zinc/83/63/28/527836328.db2.gz ALTCORODJGVVSO-OAHLLOKOSA-N 2 1 330.394 3.401 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000173907254 527836331 /nfs/dbraw/zinc/83/63/31/527836331.db2.gz ALTCORODJGVVSO-OAHLLOKOSA-N 2 1 330.394 3.401 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)[C@H](C)C1 ZINC000174628811 527882116 /nfs/dbraw/zinc/88/21/16/527882116.db2.gz MRJXDMLBHGRBJC-CJNGLKHVSA-N 2 1 330.394 3.448 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000131184687 527964014 /nfs/dbraw/zinc/96/40/14/527964014.db2.gz PHHDVTSEIFTBQE-SFHVURJKSA-N 3 1 347.547 3.398 20 0 EGADMP CCOc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OCC ZINC000154902697 528424739 /nfs/dbraw/zinc/42/47/39/528424739.db2.gz UOWJMUMEBSNYNE-LZLYRXPVSA-N 2 1 334.504 3.345 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1cc(C)ccc1C ZINC000191482628 528862507 /nfs/dbraw/zinc/86/25/07/528862507.db2.gz BWAMERMZWFUJNH-UHFFFAOYSA-N 2 1 342.487 3.413 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1cc(C)ccc1C ZINC000191482628 528862511 /nfs/dbraw/zinc/86/25/11/528862511.db2.gz BWAMERMZWFUJNH-UHFFFAOYSA-N 2 1 342.487 3.413 20 0 EGADMP CCC1(CC)[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C[C@@H]1OC ZINC000181541293 529093334 /nfs/dbraw/zinc/09/33/34/529093334.db2.gz QWCOPGMFJQORLU-IRXDYDNUSA-N 2 1 328.460 3.259 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)CCOCC(F)(F)C(F)(F)F)CC1 ZINC000346253851 535152020 /nfs/dbraw/zinc/15/20/20/535152020.db2.gz VABOVQYWYSTTNN-UHFFFAOYSA-N 2 1 332.357 3.005 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000264197602 535176456 /nfs/dbraw/zinc/17/64/56/535176456.db2.gz OVZHBNSGOGEJHU-LJQANCHMSA-N 2 1 343.515 3.133 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000247129515 535526159 /nfs/dbraw/zinc/52/61/59/535526159.db2.gz VISQYFNJYVVYNU-QKLQHJQFSA-N 2 1 334.504 3.483 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000185509992 535733729 /nfs/dbraw/zinc/73/37/29/535733729.db2.gz LVWFNMHCTZKUFI-OFLPRAFFSA-N 2 1 347.469 3.067 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000265044918 535944523 /nfs/dbraw/zinc/94/45/23/535944523.db2.gz NXSLATVHAPGMOZ-INIZCTEOSA-N 2 1 325.456 3.052 20 0 EGADMP C[N@@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C[C@H]1CCC[NH+](C)C1 ZINC000348056399 536419615 /nfs/dbraw/zinc/41/96/15/536419615.db2.gz RDWQQRCIOLGTGA-RXVVDRJESA-N 2 1 326.484 3.017 20 0 EGADMP C[NH+](C[C@@H](O)Cc1ccc2ccccc2c1)C[C@H]1CCC[N@H+](C)C1 ZINC000348056399 536419616 /nfs/dbraw/zinc/41/96/16/536419616.db2.gz RDWQQRCIOLGTGA-RXVVDRJESA-N 2 1 326.484 3.017 20 0 EGADMP C[NH+](C[C@@H](O)Cc1ccc2ccccc2c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000348056399 536419618 /nfs/dbraw/zinc/41/96/18/536419618.db2.gz RDWQQRCIOLGTGA-RXVVDRJESA-N 2 1 326.484 3.017 20 0 EGADMP CCC(=O)N1CCC([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000089144638 546641553 /nfs/dbraw/zinc/64/15/53/546641553.db2.gz GUHRKRVHSKBRNW-UHFFFAOYSA-N 2 1 331.504 3.017 20 0 EGADMP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1noc(Cc2ccccc2)n1 ZINC000165461540 546985911 /nfs/dbraw/zinc/98/59/11/546985911.db2.gz LASMCJCAAAAXLI-GJZGRUSLSA-N 2 1 328.460 3.041 20 0 EGADMP Cc1ccccc1C[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339072292 547568014 /nfs/dbraw/zinc/56/80/14/547568014.db2.gz WCEIEVVERXXTSA-SFTDATJTSA-N 2 1 327.516 3.176 20 0 EGADMP Cc1ccccc1CN1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339072292 547568017 /nfs/dbraw/zinc/56/80/17/547568017.db2.gz WCEIEVVERXXTSA-SFTDATJTSA-N 2 1 327.516 3.176 20 0 EGADMP Cc1ccccc1CN1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339072292 547568021 /nfs/dbraw/zinc/56/80/21/547568021.db2.gz WCEIEVVERXXTSA-SFTDATJTSA-N 2 1 327.516 3.176 20 0 EGADMP Fc1ccc(CN2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1F ZINC000339069867 547569614 /nfs/dbraw/zinc/56/96/14/547569614.db2.gz YCLOPBQBKKIVPO-ROUUACIJSA-N 2 1 349.469 3.146 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cc1 ZINC000414305585 547856025 /nfs/dbraw/zinc/85/60/25/547856025.db2.gz RWUZSQSFLOMEPW-VUCTXSBTSA-N 2 1 335.398 3.380 20 0 EGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000414931618 547861313 /nfs/dbraw/zinc/86/13/13/547861313.db2.gz UUVFZADUILDKBC-UONOGXRCSA-N 2 1 349.276 3.199 20 0 EGADMP c1nc(C2CC2)c(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)s1 ZINC000486983064 547969993 /nfs/dbraw/zinc/96/99/93/547969993.db2.gz CEYMBVPYYYOUCJ-UHFFFAOYSA-N 2 1 343.496 3.143 20 0 EGADMP O[C@]1(CNCc2ccccc2C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000674336072 548726778 /nfs/dbraw/zinc/72/67/78/548726778.db2.gz XWERVYZBLYGCKJ-QFIPXVFZSA-N 2 1 336.479 3.291 20 0 EGADMP O[C@]1(CNCc2ccccc2C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000674336072 548726781 /nfs/dbraw/zinc/72/67/81/548726781.db2.gz XWERVYZBLYGCKJ-QFIPXVFZSA-N 2 1 336.479 3.291 20 0 EGADMP O[C@]1(C[NH2+]Cc2ccccc2C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000674336072 548726786 /nfs/dbraw/zinc/72/67/86/548726786.db2.gz XWERVYZBLYGCKJ-QFIPXVFZSA-N 2 1 336.479 3.291 20 0 EGADMP O[C@]1(C[NH2+]Cc2ccccc2C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000674336072 548726792 /nfs/dbraw/zinc/72/67/92/548726792.db2.gz XWERVYZBLYGCKJ-QFIPXVFZSA-N 2 1 336.479 3.291 20 0 EGADMP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000675882020 548996372 /nfs/dbraw/zinc/99/63/72/548996372.db2.gz PLWCDFJDYJXOHD-JXFKEZNVSA-N 2 1 332.488 3.379 20 0 EGADMP COc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000675883261 548996982 /nfs/dbraw/zinc/99/69/82/548996982.db2.gz ZDRNYDNWXJOHRU-UTKZUKDTSA-N 2 1 346.515 3.249 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000677194223 549228866 /nfs/dbraw/zinc/22/88/66/549228866.db2.gz RKFXLLRBZPGRHW-QGZVFWFLSA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000677194223 549228869 /nfs/dbraw/zinc/22/88/69/549228869.db2.gz RKFXLLRBZPGRHW-QGZVFWFLSA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000677194223 549228872 /nfs/dbraw/zinc/22/88/72/549228872.db2.gz RKFXLLRBZPGRHW-QGZVFWFLSA-N 2 1 331.504 3.085 20 0 EGADMP CN1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)Cc2ccccc21 ZINC000678238110 549439173 /nfs/dbraw/zinc/43/91/73/549439173.db2.gz RSEHIRMZITZCPY-UHFFFAOYSA-N 2 1 339.483 3.079 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000678286382 549460505 /nfs/dbraw/zinc/46/05/05/549460505.db2.gz SOCZPKQHDYWQTF-UWJYYQICSA-N 2 1 327.516 3.022 20 0 EGADMP Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)n1 ZINC000678426577 549489027 /nfs/dbraw/zinc/48/90/27/549489027.db2.gz FTCSMAUDSUWUNF-MRXNPFEDSA-N 2 1 339.487 3.425 20 0 EGADMP C[N@@H+](Cc1ccc2ccccc2c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678719841 549547458 /nfs/dbraw/zinc/54/74/58/549547458.db2.gz PJUMGFUJUBNQRE-QFIPXVFZSA-N 2 1 337.511 3.440 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)c1C ZINC000678780416 549560077 /nfs/dbraw/zinc/56/00/77/549560077.db2.gz LOHVKDOVASXJKQ-QUCCMNQESA-N 2 1 326.484 3.447 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)c1C ZINC000678780416 549560079 /nfs/dbraw/zinc/56/00/79/549560079.db2.gz LOHVKDOVASXJKQ-QUCCMNQESA-N 2 1 326.484 3.447 20 0 EGADMP Cc1cc(C[NH+]2CCSCC2)ccc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000679143048 549644204 /nfs/dbraw/zinc/64/42/04/549644204.db2.gz OWVGQXMQGDCXDV-FUHWJXTLSA-N 2 1 333.545 3.438 20 0 EGADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000682086026 550072248 /nfs/dbraw/zinc/07/22/48/550072248.db2.gz BKNJTCGVTWLCJB-KBMXLJTQSA-N 2 1 334.426 3.341 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3cnccc3c2)[C@@H](C)C1 ZINC000683769876 550259681 /nfs/dbraw/zinc/25/96/81/550259681.db2.gz FOFWJMUASNQWNZ-UWJYYQICSA-N 2 1 341.499 3.461 20 0 EGADMP Cc1cc(N2CCC([NH2+]Cc3ccc4cnccc4c3)CC2)nc(C)[nH+]1 ZINC000683772794 550260097 /nfs/dbraw/zinc/26/00/97/550260097.db2.gz WVJQUHJCCVFOSE-UHFFFAOYSA-N 2 1 347.466 3.400 20 0 EGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683929381 550274738 /nfs/dbraw/zinc/27/47/38/550274738.db2.gz KXARYBAYDIASLR-CTNGQTDRSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683929381 550274741 /nfs/dbraw/zinc/27/47/41/550274741.db2.gz KXARYBAYDIASLR-CTNGQTDRSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683930768 550274904 /nfs/dbraw/zinc/27/49/04/550274904.db2.gz YTCWSOOGTGMFIC-NRFANRHFSA-N 2 1 349.478 3.414 20 0 EGADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(C[NH+](CC)C(C)C)cc1 ZINC000684826593 550374037 /nfs/dbraw/zinc/37/40/37/550374037.db2.gz ZRJWFDKRFDFNGP-HXUWFJFHSA-N 2 1 345.531 3.473 20 0 EGADMP CC[C@@H]1C[NH+](C)CCCN1C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000684826593 550374039 /nfs/dbraw/zinc/37/40/39/550374039.db2.gz ZRJWFDKRFDFNGP-HXUWFJFHSA-N 2 1 345.531 3.473 20 0 EGADMP CC[C@@H]1C[NH+](C)CCCN1C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000684826593 550374041 /nfs/dbraw/zinc/37/40/41/550374041.db2.gz ZRJWFDKRFDFNGP-HXUWFJFHSA-N 2 1 345.531 3.473 20 0 EGADMP C[N@@H+](C/C=C\c1ccc(F)c(F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457216 550419178 /nfs/dbraw/zinc/41/91/78/550419178.db2.gz LNRZMXLEHITBSQ-DDKKJVIOSA-N 2 1 349.469 3.078 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470398 550421024 /nfs/dbraw/zinc/42/10/24/550421024.db2.gz LJCVQAGQYJHYBI-KXBFYZLASA-N 2 1 346.906 3.357 20 0 EGADMP CCCCCC[N@H+](C)CC(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000732277446 575253103 /nfs/dbraw/zinc/25/31/03/575253103.db2.gz MLKFYVZTMOEANA-UHFFFAOYSA-N 2 1 342.487 3.309 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000732277446 575253105 /nfs/dbraw/zinc/25/31/05/575253105.db2.gz MLKFYVZTMOEANA-UHFFFAOYSA-N 2 1 342.487 3.309 20 0 EGADMP CC(C)c1[nH+]ccn1CCNC(=O)[C@@H](c1cccc(Cl)c1)N(C)C ZINC000732278321 575253612 /nfs/dbraw/zinc/25/36/12/575253612.db2.gz IADIADADZBCNFB-MRXNPFEDSA-N 2 1 348.878 3.079 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000733187016 575318229 /nfs/dbraw/zinc/31/82/29/575318229.db2.gz KDRGWESRFDSXTC-CALCHBBNSA-N 2 1 331.508 3.247 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000733187016 575318230 /nfs/dbraw/zinc/31/82/30/575318230.db2.gz KDRGWESRFDSXTC-CALCHBBNSA-N 2 1 331.508 3.247 20 0 EGADMP O[C@@H](C[N@H+](CCc1ccc(Cl)cc1)CC1CC1)C[NH+]1CCCC1 ZINC000735168529 575610148 /nfs/dbraw/zinc/61/01/48/575610148.db2.gz NUHAJMVQDCLHOI-LJQANCHMSA-N 2 1 336.907 3.051 20 0 EGADMP O[C@@H](C[N@@H+](CCc1ccc(Cl)cc1)CC1CC1)C[NH+]1CCCC1 ZINC000735168529 575610151 /nfs/dbraw/zinc/61/01/51/575610151.db2.gz NUHAJMVQDCLHOI-LJQANCHMSA-N 2 1 336.907 3.051 20 0 EGADMP Brc1cccc(-c2ccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)o2)c1 ZINC000678342787 576167201 /nfs/dbraw/zinc/16/72/01/576167201.db2.gz IDDAGMRAGBEZMC-KBPBESRZSA-N 2 1 347.256 3.360 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000742794233 576795612 /nfs/dbraw/zinc/79/56/12/576795612.db2.gz VIDPMCYMVINIIM-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000742794233 576795613 /nfs/dbraw/zinc/79/56/13/576795613.db2.gz VIDPMCYMVINIIM-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000742794233 576795614 /nfs/dbraw/zinc/79/56/14/576795614.db2.gz VIDPMCYMVINIIM-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000693032614 1298149218 /nfs/dbraw/zinc/14/92/18/1298149218.db2.gz VQQHRCYBRGVJTO-GVDBMIGSSA-N 2 1 339.524 3.096 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895299378 1309276262 /nfs/dbraw/zinc/27/62/62/1309276262.db2.gz JJWIHWTZMJOAAH-MRXNPFEDSA-N 2 1 328.504 3.286 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C)s3)cc2)CC1 ZINC000061070011 1291959015 /nfs/dbraw/zinc/95/90/15/1291959015.db2.gz GHBGLECHNGINJZ-UHFFFAOYSA-N 2 1 343.540 3.484 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cccc(F)c2)CC1 ZINC000061070318 1291959431 /nfs/dbraw/zinc/95/94/31/1291959431.db2.gz MECUJVRADAZPLV-UHFFFAOYSA-N 2 1 341.474 3.253 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C)cc3)cc2)CC1 ZINC000061070149 1291959601 /nfs/dbraw/zinc/95/96/01/1291959601.db2.gz DFXWDDULEUXTKI-UHFFFAOYSA-N 2 1 337.511 3.422 20 0 EGADMP COc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1OC ZINC000063319832 1292007120 /nfs/dbraw/zinc/00/71/20/1292007120.db2.gz JBAANOLLZQTYMA-UHFFFAOYSA-N 2 1 332.488 3.448 20 0 EGADMP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000063524739 1292014432 /nfs/dbraw/zinc/01/44/32/1292014432.db2.gz CGJOXDWWAPEWPN-KRWDZBQOSA-N 2 1 340.467 3.206 20 0 EGADMP COc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000063524739 1292014442 /nfs/dbraw/zinc/01/44/42/1292014442.db2.gz CGJOXDWWAPEWPN-KRWDZBQOSA-N 2 1 340.467 3.206 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000069445791 1292243605 /nfs/dbraw/zinc/24/36/05/1292243605.db2.gz LFOMWWSTGVOHFY-HXUWFJFHSA-N 2 1 343.515 3.163 20 0 EGADMP CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003431 1292783301 /nfs/dbraw/zinc/78/33/01/1292783301.db2.gz FBLUAQKZYQIYNR-QZTJIDSGSA-N 2 1 348.535 3.006 20 0 EGADMP CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003431 1292783309 /nfs/dbraw/zinc/78/33/09/1292783309.db2.gz FBLUAQKZYQIYNR-QZTJIDSGSA-N 2 1 348.535 3.006 20 0 EGADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)CCCC[NH+](C)C ZINC000830974020 1292793469 /nfs/dbraw/zinc/79/34/69/1292793469.db2.gz CNGCJVYJJJHJIW-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP CCc1nn(C)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000092396612 1292866208 /nfs/dbraw/zinc/86/62/08/1292866208.db2.gz XAVBOGXLJVWLRH-KSSFIOAISA-N 2 1 332.517 3.217 20 0 EGADMP CCc1nn(C)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000092396612 1292866218 /nfs/dbraw/zinc/86/62/18/1292866218.db2.gz XAVBOGXLJVWLRH-KSSFIOAISA-N 2 1 332.517 3.217 20 0 EGADMP [NH3+]CCCCCC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000831481745 1292869594 /nfs/dbraw/zinc/86/95/94/1292869594.db2.gz UOTWIVJHKQCXRQ-UHFFFAOYSA-N 2 1 343.515 3.020 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2-c2cccnc2)c1 ZINC000105448968 1293036370 /nfs/dbraw/zinc/03/63/70/1293036370.db2.gz CHCKWGBVFZHEMR-UHFFFAOYSA-N 2 1 349.482 3.224 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccncc2)c1 ZINC000105448970 1293037370 /nfs/dbraw/zinc/03/73/70/1293037370.db2.gz QBDJHOWEVIKHRN-UHFFFAOYSA-N 2 1 349.482 3.224 20 0 EGADMP CC[NH+](CC)C1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000109133413 1293088420 /nfs/dbraw/zinc/08/84/20/1293088420.db2.gz JXFYNMVAHXSSJG-UHFFFAOYSA-N 2 1 337.895 3.475 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)c1ccco1 ZINC000834501519 1293107295 /nfs/dbraw/zinc/10/72/95/1293107295.db2.gz BVCYPRBGUJZBKC-YSTOQKLRSA-N 2 1 340.467 3.346 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834530051 1293111656 /nfs/dbraw/zinc/11/16/56/1293111656.db2.gz AAWNIIDUKTURCJ-ULQDDVLXSA-N 2 1 339.524 3.096 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000121810064 1293391233 /nfs/dbraw/zinc/39/12/33/1293391233.db2.gz REUSFDFYUYGFIG-HOTGVXAUSA-N 2 1 331.460 3.026 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)nc2)[C@H](C)C1 ZINC000122735534 1293423245 /nfs/dbraw/zinc/42/32/45/1293423245.db2.gz FTYDOLAHTVJRDN-WBVHZDCISA-N 2 1 339.911 3.004 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(Cn2c3cc(C)ccc3oc2=O)CC1 ZINC000151804579 1293938992 /nfs/dbraw/zinc/93/89/92/1293938992.db2.gz YGJCYCBOEFTLNA-UHFFFAOYSA-N 2 1 345.487 3.304 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](Cn2c3cc(C)ccc3oc2=O)CC1 ZINC000151804579 1293938997 /nfs/dbraw/zinc/93/89/97/1293938997.db2.gz YGJCYCBOEFTLNA-UHFFFAOYSA-N 2 1 345.487 3.304 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cn2c3cc(C)ccc3oc2=O)CC1 ZINC000151804579 1293939001 /nfs/dbraw/zinc/93/90/01/1293939001.db2.gz YGJCYCBOEFTLNA-UHFFFAOYSA-N 2 1 345.487 3.304 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)[C@H](C)C1 ZINC000187757118 1295414766 /nfs/dbraw/zinc/41/47/66/1295414766.db2.gz XODGPPFZEBTFDJ-WCXIOVBPSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC[NH2+]CC1CC1 ZINC000870868020 1296121210 /nfs/dbraw/zinc/12/12/10/1296121210.db2.gz YWOQVNRLTFJMES-QGZVFWFLSA-N 2 1 343.515 3.067 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000236792507 1296202277 /nfs/dbraw/zinc/20/22/77/1296202277.db2.gz JWZLDLNRDWKKOG-OAQYLSRUSA-N 2 1 346.515 3.454 20 0 EGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000236822177 1296205158 /nfs/dbraw/zinc/20/51/58/1296205158.db2.gz LLYIYNIJQKPCEE-AWEZNQCLSA-N 2 1 332.879 3.172 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000236822177 1296205171 /nfs/dbraw/zinc/20/51/71/1296205171.db2.gz LLYIYNIJQKPCEE-AWEZNQCLSA-N 2 1 332.879 3.172 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCCCC[NH3+] ZINC000237342776 1296237255 /nfs/dbraw/zinc/23/72/55/1296237255.db2.gz WGSOCVRXRGEMIP-QGZVFWFLSA-N 2 1 331.504 3.196 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCCCC[NH3+])cc2)C1 ZINC000237502910 1296248520 /nfs/dbraw/zinc/24/85/20/1296248520.db2.gz CCVXHMPOCNNLTF-KRWDZBQOSA-N 2 1 331.504 3.054 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000246012345 1296335115 /nfs/dbraw/zinc/33/51/15/1296335115.db2.gz TZAZHLLULQESLP-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP CC[C@H]1CC(=O)N(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1 ZINC000246122896 1296337848 /nfs/dbraw/zinc/33/78/48/1296337848.db2.gz YRVICSAJDWRKIZ-MSOLQXFVSA-N 2 1 335.536 3.179 20 0 EGADMP CC[C@H]1CC(=O)N(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1 ZINC000246122896 1296337859 /nfs/dbraw/zinc/33/78/59/1296337859.db2.gz YRVICSAJDWRKIZ-MSOLQXFVSA-N 2 1 335.536 3.179 20 0 EGADMP FC(F)(F)Oc1ccccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246597861 1296362780 /nfs/dbraw/zinc/36/27/80/1296362780.db2.gz ZYPQUBDBLNGKMF-CABCVRRESA-N 2 1 328.378 3.344 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248584282 1296420917 /nfs/dbraw/zinc/42/09/17/1296420917.db2.gz PMJZVDIELTZMNA-ZBQZNYHESA-N 2 1 338.442 3.241 20 0 EGADMP CCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000262016215 1296614527 /nfs/dbraw/zinc/61/45/27/1296614527.db2.gz FVHUEMIEFKYXNC-INIZCTEOSA-N 2 1 343.471 3.028 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(C(F)(F)F)co2)C1 ZINC000872145941 1296767452 /nfs/dbraw/zinc/76/74/52/1296767452.db2.gz ZRNFSOHCMMZDNV-VHDGCEQUSA-N 2 1 332.366 3.159 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(C(F)(F)F)co2)C1 ZINC000872145941 1296767465 /nfs/dbraw/zinc/76/74/65/1296767465.db2.gz ZRNFSOHCMMZDNV-VHDGCEQUSA-N 2 1 332.366 3.159 20 0 EGADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3o2)CC1 ZINC000305185978 1296993159 /nfs/dbraw/zinc/99/31/59/1296993159.db2.gz XEFNVXOURGVDOX-MOPGFXCFSA-N 2 1 328.456 3.290 20 0 EGADMP Cc1nccn1CCC[N@H+](C)Cn1ccc(-c2cccc(F)c2)n1 ZINC000872592563 1297018908 /nfs/dbraw/zinc/01/89/08/1297018908.db2.gz OTWHQKFSTQWENA-UHFFFAOYSA-N 2 1 327.407 3.174 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cn1ccc(-c2cccc(F)c2)n1 ZINC000872592563 1297018937 /nfs/dbraw/zinc/01/89/37/1297018937.db2.gz OTWHQKFSTQWENA-UHFFFAOYSA-N 2 1 327.407 3.174 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000310045489 1297082592 /nfs/dbraw/zinc/08/25/92/1297082592.db2.gz ZEWYUGNIPLLWDQ-DLBZAZTESA-N 2 1 341.540 3.390 20 0 EGADMP C[C@@]1(C[NH2+]C[C@H](O)c2cccc(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310881033 1297102152 /nfs/dbraw/zinc/10/21/52/1297102152.db2.gz IEIOFCRLZMQKKG-SFTDATJTSA-N 2 1 342.458 3.361 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000320808183 1297171260 /nfs/dbraw/zinc/17/12/60/1297171260.db2.gz WTGUFJLPRKLZCN-XJKSGUPXSA-N 2 1 330.394 3.059 20 0 EGADMP C[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H](c2ccsc2)O1 ZINC000873208421 1297353762 /nfs/dbraw/zinc/35/37/62/1297353762.db2.gz VVZLVFJUHUHFJQ-BLLLJJGKSA-N 2 1 334.510 3.417 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H](c2ccsc2)O1 ZINC000873208421 1297353771 /nfs/dbraw/zinc/35/37/71/1297353771.db2.gz VVZLVFJUHUHFJQ-BLLLJJGKSA-N 2 1 334.510 3.417 20 0 EGADMP C[C@H](CC[NH2+]C[C@H](O)c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000379621070 1297536462 /nfs/dbraw/zinc/53/64/62/1297536462.db2.gz DWUJDHSECWWRAP-UTKZUKDTSA-N 2 1 337.467 3.092 20 0 EGADMP C[C@@H](CC[NH2+]C[C@@H](O)c1cccc(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000379635187 1297536649 /nfs/dbraw/zinc/53/66/49/1297536649.db2.gz QLMUNTVGXLWJGF-OXJNMPFZSA-N 2 1 330.447 3.359 20 0 EGADMP CC(C)(C)OC(=O)NC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000699595023 1298170615 /nfs/dbraw/zinc/17/06/15/1298170615.db2.gz NFRZQHOCXSBPNZ-CVEARBPZSA-N 2 1 337.508 3.040 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000700799541 1298179426 /nfs/dbraw/zinc/17/94/26/1298179426.db2.gz ITCAGAQIHUPHFD-IXDOHACOSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc2c1OCC2 ZINC000708539958 1298244360 /nfs/dbraw/zinc/24/43/60/1298244360.db2.gz FARFQAVZIKOVQE-UTKZUKDTSA-N 2 1 336.479 3.479 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc2c1OCC2 ZINC000708539958 1298244370 /nfs/dbraw/zinc/24/43/70/1298244370.db2.gz FARFQAVZIKOVQE-UTKZUKDTSA-N 2 1 336.479 3.479 20 0 EGADMP C[C@H]1C[C@H](N[C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000709341864 1298247917 /nfs/dbraw/zinc/24/79/17/1298247917.db2.gz GQYHBKFYMHBOFX-MNXAEDQJSA-N 2 1 327.516 3.158 20 0 EGADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCN(Cc3ccccc3)[C@@H](C)C1)[NH2+]2 ZINC000709341864 1298247929 /nfs/dbraw/zinc/24/79/29/1298247929.db2.gz GQYHBKFYMHBOFX-MNXAEDQJSA-N 2 1 327.516 3.158 20 0 EGADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)[NH2+]2 ZINC000709341864 1298247937 /nfs/dbraw/zinc/24/79/37/1298247937.db2.gz GQYHBKFYMHBOFX-MNXAEDQJSA-N 3 1 327.516 3.158 20 0 EGADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)[NH2+]2 ZINC000709341864 1298247944 /nfs/dbraw/zinc/24/79/44/1298247944.db2.gz GQYHBKFYMHBOFX-MNXAEDQJSA-N 3 1 327.516 3.158 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000709648337 1298249630 /nfs/dbraw/zinc/24/96/30/1298249630.db2.gz ZRJRWHNHXGVFAQ-AQNXPRMDSA-N 2 1 343.515 3.065 20 0 EGADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000876949228 1299083467 /nfs/dbraw/zinc/08/34/67/1299083467.db2.gz OZYAFRXECDELDQ-HMXCVIKNSA-N 2 1 327.516 3.284 20 0 EGADMP C[N@H+]1CCC[C@H](CNCc2ccc(Cl)nn2)[C@H]1c1cccs1 ZINC000877055056 1299135296 /nfs/dbraw/zinc/13/52/96/1299135296.db2.gz OBENPRTWXYEZMP-WBMJQRKESA-N 2 1 336.892 3.364 20 0 EGADMP CN1CCC[C@H](C[NH2+]Cc2ccc(Cl)nn2)[C@H]1c1cccs1 ZINC000877055056 1299135302 /nfs/dbraw/zinc/13/53/02/1299135302.db2.gz OBENPRTWXYEZMP-WBMJQRKESA-N 2 1 336.892 3.364 20 0 EGADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877154475 1299185695 /nfs/dbraw/zinc/18/56/95/1299185695.db2.gz RCAHQSQCYGPSOX-QFUCXCTJSA-N 2 1 327.516 3.428 20 0 EGADMP C[C@@H]1CCC[NH+]1CCN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877154475 1299185704 /nfs/dbraw/zinc/18/57/04/1299185704.db2.gz RCAHQSQCYGPSOX-QFUCXCTJSA-N 2 1 327.516 3.428 20 0 EGADMP C[C@@H]1CCC[NH+]1CCN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877154475 1299185714 /nfs/dbraw/zinc/18/57/14/1299185714.db2.gz RCAHQSQCYGPSOX-QFUCXCTJSA-N 2 1 327.516 3.428 20 0 EGADMP Cn1cc(C[N@H+](C)CCC[NH+]2CCCC2)c(-c2cc(F)ccc2F)n1 ZINC000877495420 1299346479 /nfs/dbraw/zinc/34/64/79/1299346479.db2.gz CCYDBMWKPPQNCH-UHFFFAOYSA-N 2 1 348.441 3.283 20 0 EGADMP Cn1cc(C[N@@H+](C)CCC[NH+]2CCCC2)c(-c2cc(F)ccc2F)n1 ZINC000877495420 1299346494 /nfs/dbraw/zinc/34/64/94/1299346494.db2.gz CCYDBMWKPPQNCH-UHFFFAOYSA-N 2 1 348.441 3.283 20 0 EGADMP CCC/C(C)=C\C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000750850754 1299463965 /nfs/dbraw/zinc/46/39/65/1299463965.db2.gz AZTSUFXDKKKSPY-ZCXUNETKSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000878049066 1299725300 /nfs/dbraw/zinc/72/53/00/1299725300.db2.gz YDJLTRUZFWYSMD-IBGZPJMESA-N 2 1 338.536 3.014 20 0 EGADMP CCn1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(-c2ccccc2)n1 ZINC000882941018 1302173512 /nfs/dbraw/zinc/17/35/12/1302173512.db2.gz GAIXSAPUQVHKRB-QGZVFWFLSA-N 2 1 326.488 3.390 20 0 EGADMP O=c1oc2ccc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)cc2o1 ZINC000882942325 1302174992 /nfs/dbraw/zinc/17/49/92/1302174992.db2.gz YNNPAEWHLCQVII-UHFFFAOYSA-N 2 1 330.428 3.130 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC3(CCOCC3)Oc3ccccc32)CC[N@@H+]1C ZINC000883383756 1302424603 /nfs/dbraw/zinc/42/46/03/1302424603.db2.gz FVMDPAXTLLYBCP-RYRKJORJSA-N 2 1 330.472 3.132 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC3(CCOCC3)Oc3ccccc32)CC[N@H+]1C ZINC000883383756 1302424606 /nfs/dbraw/zinc/42/46/06/1302424606.db2.gz FVMDPAXTLLYBCP-RYRKJORJSA-N 2 1 330.472 3.132 20 0 EGADMP Fc1ccccc1COc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000770395864 1303262079 /nfs/dbraw/zinc/26/20/79/1303262079.db2.gz WLDFPAGGRFUKQV-HDICACEKSA-N 2 1 326.415 3.056 20 0 EGADMP Fc1ccccc1COc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000770395864 1303262082 /nfs/dbraw/zinc/26/20/82/1303262082.db2.gz WLDFPAGGRFUKQV-HDICACEKSA-N 2 1 326.415 3.056 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000885920755 1303276207 /nfs/dbraw/zinc/27/62/07/1303276207.db2.gz FYEUJWFYJUTMSK-GOSISDBHSA-N 2 1 338.499 3.371 20 0 EGADMP C[NH+](C[C@@H]1CCCOC1)[C@H]1CC[C@H]([N@@H+](C)C[C@H]2CCCOC2)CC1 ZINC000886392092 1303454376 /nfs/dbraw/zinc/45/43/76/1303454376.db2.gz UJXZYFUKEQUDJO-SOIMTFEMSA-N 2 1 338.536 3.014 20 0 EGADMP C[NH+](C[C@H]1CCCOC1)[C@H]1CC[C@H]([N@H+](C)C[C@@H]2CCCOC2)CC1 ZINC000886392092 1303454379 /nfs/dbraw/zinc/45/43/79/1303454379.db2.gz UJXZYFUKEQUDJO-SOIMTFEMSA-N 2 1 338.536 3.014 20 0 EGADMP C[NH+](C[C@H]1CCCOC1)[C@H]1CC[C@H]([N@@H+](C)C[C@@H]2CCCOC2)CC1 ZINC000886392092 1303454381 /nfs/dbraw/zinc/45/43/81/1303454381.db2.gz UJXZYFUKEQUDJO-SOIMTFEMSA-N 2 1 338.536 3.014 20 0 EGADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)[C@@H](C)c3ccccc3)CC2)[nH+]c1C ZINC000886661638 1303543066 /nfs/dbraw/zinc/54/30/66/1303543066.db2.gz ZGYLQWIVFOIGBL-LIRRHRJNSA-N 2 1 327.472 3.371 20 0 EGADMP CCN(CCC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1)CC(F)(F)F ZINC000886663337 1303544162 /nfs/dbraw/zinc/54/41/62/1303544162.db2.gz YOVIJBDZXYNTRI-UHFFFAOYSA-N 2 1 346.441 3.480 20 0 EGADMP Cc1[nH]c(C2CC[NH+](CC(=O)N(C3CC3)C3CCCC3)CC2)[nH+]c1C ZINC000886665540 1303545367 /nfs/dbraw/zinc/54/53/67/1303545367.db2.gz AOQDMBFJBXLNFG-UHFFFAOYSA-N 2 1 344.503 3.140 20 0 EGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000887133278 1303686537 /nfs/dbraw/zinc/68/65/37/1303686537.db2.gz XXVACLHPEJCHHW-KRWDZBQOSA-N 2 1 345.450 3.249 20 0 EGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000887133278 1303686544 /nfs/dbraw/zinc/68/65/44/1303686544.db2.gz XXVACLHPEJCHHW-KRWDZBQOSA-N 2 1 345.450 3.249 20 0 EGADMP c1ccc2c(c1)NCCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000774189500 1303784586 /nfs/dbraw/zinc/78/45/86/1303784586.db2.gz YFOKMTDZGGCOER-XLIONFOSSA-N 2 1 329.488 3.166 20 0 EGADMP O=C(Nc1ccnc(N2CCCCC2)c1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000888576474 1304202734 /nfs/dbraw/zinc/20/27/34/1304202734.db2.gz YWXCDRPXJRULOC-QGZVFWFLSA-N 2 1 328.460 3.027 20 0 EGADMP O=C(Nc1ccnc(N2CCCCC2)c1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000888576474 1304202741 /nfs/dbraw/zinc/20/27/41/1304202741.db2.gz YWXCDRPXJRULOC-QGZVFWFLSA-N 2 1 328.460 3.027 20 0 EGADMP C[C@H]1C[C@H](Nc2ccc(OCC[NH+](C)C)c(Cl)c2)CC[N@H+]1C ZINC000777648999 1304329991 /nfs/dbraw/zinc/32/99/91/1304329991.db2.gz BIQZDOFRSAWQFN-DZGCQCFKSA-N 2 1 325.884 3.175 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000777985707 1304378573 /nfs/dbraw/zinc/37/85/73/1304378573.db2.gz WDAXNSLHKKUYQZ-UHFFFAOYSA-N 2 1 334.508 3.085 20 0 EGADMP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccco1 ZINC000779439567 1304571983 /nfs/dbraw/zinc/57/19/83/1304571983.db2.gz NXLSLBWBEVSRCY-AKHDSKFASA-N 2 1 326.440 3.098 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000891670638 1305130470 /nfs/dbraw/zinc/13/04/70/1305130470.db2.gz ILUCXZGZAZSOBX-RDJZCZTQSA-N 2 1 339.524 3.096 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(O)c(F)c2)CC1 ZINC000892146637 1305267566 /nfs/dbraw/zinc/26/75/66/1305267566.db2.gz XWEYVLWUBOIDKN-UHFFFAOYSA-N 2 1 338.467 3.102 20 0 EGADMP Cn1cncc1COC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000784883409 1305290053 /nfs/dbraw/zinc/29/00/53/1305290053.db2.gz QVIYNRWFEJXLBU-UHFFFAOYSA-N 2 1 349.434 3.409 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC000892621072 1305473592 /nfs/dbraw/zinc/47/35/92/1305473592.db2.gz DOTRHGDLZKGNJB-UHFFFAOYSA-N 2 1 327.350 3.313 20 0 EGADMP Cc1cc(F)ncc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000892677019 1305501912 /nfs/dbraw/zinc/50/19/12/1305501912.db2.gz SNIUAOBJDLKHTE-MRXNPFEDSA-N 2 1 343.446 3.040 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000788587943 1305975277 /nfs/dbraw/zinc/97/52/77/1305975277.db2.gz KVESZERXNHOTEC-YESZJQIVSA-N 2 1 341.540 3.342 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000788586642 1305976116 /nfs/dbraw/zinc/97/61/16/1305976116.db2.gz FDVWHOCNSLSHDY-AEFFLSMTSA-N 2 1 325.456 3.002 20 0 EGADMP Cc1ncoc1CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000894131731 1306235946 /nfs/dbraw/zinc/23/59/46/1306235946.db2.gz VLNFOBXSGZCNSH-UHFFFAOYSA-N 2 1 328.460 3.373 20 0 EGADMP c1nc(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)c[nH]1 ZINC000894232426 1306292485 /nfs/dbraw/zinc/29/24/85/1306292485.db2.gz XBFLETWHUUFIOE-UHFFFAOYSA-N 2 1 326.488 3.234 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)nc1 ZINC000894555587 1308952146 /nfs/dbraw/zinc/95/21/46/1308952146.db2.gz YSTRMGJKBRLAJH-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000894555587 1308952156 /nfs/dbraw/zinc/95/21/56/1308952156.db2.gz YSTRMGJKBRLAJH-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP C[C@H](CC[NH2+]Cc1cccc(CNC(=O)OC(C)(C)C)c1)[NH+](C)C ZINC000895290233 1309272234 /nfs/dbraw/zinc/27/22/34/1309272234.db2.gz DHOYLFOLADVITF-OAHLLOKOSA-N 2 1 335.492 3.141 20 0 EGADMP CC(C)(C)OC(=O)N1CC=C(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000793330455 1309349950 /nfs/dbraw/zinc/34/99/50/1309349950.db2.gz IZPPVQMYOSGHNC-ZWKOTPCHSA-N 2 1 349.519 3.160 20 0 EGADMP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000895602157 1309424443 /nfs/dbraw/zinc/42/44/43/1309424443.db2.gz ZXYZEMWMYCDERN-IBGZPJMESA-N 2 1 327.472 3.238 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]CC3CCC4(CC3)OCCO4)C2)cc1 ZINC000795980865 1309874529 /nfs/dbraw/zinc/87/45/29/1309874529.db2.gz ABJLDHXMKDLWDP-HXUWFJFHSA-N 2 1 344.499 3.031 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3occc3Br)C2)CC1 ZINC000798956558 1310463975 /nfs/dbraw/zinc/46/39/75/1310463975.db2.gz CTARNUABWRGZHO-UHFFFAOYSA-N 2 1 327.266 3.350 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc4c(c(Cl)c3)OCO4)C2)CC1 ZINC000799179386 1310499668 /nfs/dbraw/zinc/49/96/68/1310499668.db2.gz KDXHWNRKQXEDAM-UHFFFAOYSA-N 2 1 336.863 3.377 20 0 EGADMP O[C@H](CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000898204573 1310626383 /nfs/dbraw/zinc/62/63/83/1310626383.db2.gz WSRHGCZETOWMQT-DOIPELPJSA-N 2 1 328.500 3.038 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000898386480 1310702152 /nfs/dbraw/zinc/70/21/52/1310702152.db2.gz FJBKJEIMYQIQBW-XMDBHEJHSA-N 2 1 333.435 3.490 20 0 EGADMP CN(CCC[NH+]1CCCC1)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857222473 1328524905 /nfs/dbraw/zinc/52/49/05/1328524905.db2.gz STCVGSDJPOMNBI-HXUWFJFHSA-N 2 1 343.515 3.054 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000839180452 1320886871 /nfs/dbraw/zinc/88/68/71/1320886871.db2.gz DEWUZVSQJUQNBI-DLBZAZTESA-N 2 1 329.488 3.196 20 0 EGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)C1 ZINC000857282810 1328526381 /nfs/dbraw/zinc/52/63/81/1328526381.db2.gz IHSALDWGAAUEQA-PMACEKPBSA-N 2 1 343.515 3.051 20 0 EGADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857282810 1328526383 /nfs/dbraw/zinc/52/63/83/1328526383.db2.gz IHSALDWGAAUEQA-PMACEKPBSA-N 2 1 343.515 3.051 20 0 EGADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857282810 1328526385 /nfs/dbraw/zinc/52/63/85/1328526385.db2.gz IHSALDWGAAUEQA-PMACEKPBSA-N 2 1 343.515 3.051 20 0 EGADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)N[C@H]3CC[NH+](C(C)(C)C)C3)c2)C1 ZINC000857303678 1328527380 /nfs/dbraw/zinc/52/73/80/1328527380.db2.gz KUYOYEHQEOSONX-MOPGFXCFSA-N 2 1 343.515 3.098 20 0 EGADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)N[C@H]3CC[N@@H+](C(C)(C)C)C3)c2)C1 ZINC000857303678 1328527382 /nfs/dbraw/zinc/52/73/82/1328527382.db2.gz KUYOYEHQEOSONX-MOPGFXCFSA-N 2 1 343.515 3.098 20 0 EGADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)N[C@H]3CC[N@H+](C(C)(C)C)C3)c2)C1 ZINC000857303678 1328527384 /nfs/dbraw/zinc/52/73/84/1328527384.db2.gz KUYOYEHQEOSONX-MOPGFXCFSA-N 2 1 343.515 3.098 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001018961485 1316986872 /nfs/dbraw/zinc/98/68/72/1316986872.db2.gz HDOCECLNTJVFJL-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001018967971 1316989653 /nfs/dbraw/zinc/98/96/53/1316989653.db2.gz NTYRLEWXXPPRBG-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001019241593 1317119144 /nfs/dbraw/zinc/11/91/44/1317119144.db2.gz MAJNVRZQERVKPO-LSTHTHJFSA-N 2 1 343.515 3.156 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001019274799 1317140978 /nfs/dbraw/zinc/14/09/78/1317140978.db2.gz POZYKSXBHFMEKN-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900349543 1317279393 /nfs/dbraw/zinc/27/93/93/1317279393.db2.gz BPMSXQUMBSVWPQ-WOJBJXKFSA-N 2 1 341.499 3.280 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001019632312 1317310496 /nfs/dbraw/zinc/31/04/96/1317310496.db2.gz IIKQDQPCOJFSGL-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCC2)C1 ZINC001019632455 1317311424 /nfs/dbraw/zinc/31/14/24/1317311424.db2.gz NICMBKTWOJKQKG-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C2CC(OCc3ccccc3)C2)C1 ZINC000929762320 1328691885 /nfs/dbraw/zinc/69/18/85/1328691885.db2.gz DWCSGHPOGWEEDU-QNGMFEMESA-N 2 1 328.500 3.398 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000929762320 1328691888 /nfs/dbraw/zinc/69/18/88/1328691888.db2.gz DWCSGHPOGWEEDU-QNGMFEMESA-N 2 1 328.500 3.398 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000929762320 1328691896 /nfs/dbraw/zinc/69/18/96/1328691896.db2.gz DWCSGHPOGWEEDU-QNGMFEMESA-N 2 1 328.500 3.398 20 0 EGADMP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)CC1 ZINC000901188639 1317391849 /nfs/dbraw/zinc/39/18/49/1317391849.db2.gz VMQXBTWKIIPZOA-TUNPWDSISA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](CCC(C)(C)C)CC2 ZINC000957517347 1317419866 /nfs/dbraw/zinc/41/98/66/1317419866.db2.gz ONCVSCNVATZTOR-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001019820532 1317440341 /nfs/dbraw/zinc/44/03/41/1317440341.db2.gz OHMLDJIPCXJSDW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)CC1 ZINC000957568273 1317465573 /nfs/dbraw/zinc/46/55/73/1317465573.db2.gz GORLODSPNLRSTR-OALUTQOASA-N 2 1 347.547 3.116 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806148296 1317465830 /nfs/dbraw/zinc/46/58/30/1317465830.db2.gz FLQHCYIADDNTRS-KBAYOESNSA-N 2 1 349.906 3.080 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000957568564 1317466765 /nfs/dbraw/zinc/46/67/65/1317466765.db2.gz LANGSLWCSZOUFA-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000957569167 1317467967 /nfs/dbraw/zinc/46/79/67/1317467967.db2.gz YJNHSNFMPDFMHS-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)CC1 ZINC000957606108 1317493590 /nfs/dbraw/zinc/49/35/90/1317493590.db2.gz ZWCJKSSZIFIDSI-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001020151230 1317565231 /nfs/dbraw/zinc/56/52/31/1317565231.db2.gz POYWGWSVACEQOD-WTGUMLROSA-N 2 1 347.547 3.068 20 0 EGADMP COc1ccc(-c2cc(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)on2)cc1 ZINC000902400876 1317573917 /nfs/dbraw/zinc/57/39/17/1317573917.db2.gz WTIOMBNFJGGWNJ-OAHLLOKOSA-N 2 1 329.444 3.218 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cn1 ZINC000902503557 1317584620 /nfs/dbraw/zinc/58/46/20/1317584620.db2.gz SOWIVPNYXLLTMK-BOFPYLFWSA-N 2 1 327.403 3.127 20 0 EGADMP CC[N@@H+](CC1CC1)CC1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000957720794 1317588167 /nfs/dbraw/zinc/58/81/67/1317588167.db2.gz XGKYHKOWOKWJMR-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC1CC1)CC1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000957720794 1317588171 /nfs/dbraw/zinc/58/81/71/1317588171.db2.gz XGKYHKOWOKWJMR-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC1CC1)CC1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000957720794 1317588177 /nfs/dbraw/zinc/58/81/77/1317588177.db2.gz XGKYHKOWOKWJMR-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020239146 1317604146 /nfs/dbraw/zinc/60/41/46/1317604146.db2.gz PWLLMQOXLJCWQS-UFYCRDLUSA-N 2 1 349.563 3.457 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001020239870 1317604959 /nfs/dbraw/zinc/60/49/59/1317604959.db2.gz KXKLGUZBZVOGGS-BJLQDIEVSA-N 2 1 347.547 3.211 20 0 EGADMP CC[N@@H+](CC1CCC1)CC1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000957753610 1317622377 /nfs/dbraw/zinc/62/23/77/1317622377.db2.gz YMBWZXKMFOGGSS-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CC1CCC1)CC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000957753610 1317622384 /nfs/dbraw/zinc/62/23/84/1317622384.db2.gz YMBWZXKMFOGGSS-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CC1CCC1)CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000957753610 1317622390 /nfs/dbraw/zinc/62/23/90/1317622390.db2.gz YMBWZXKMFOGGSS-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000902948065 1317632619 /nfs/dbraw/zinc/63/26/19/1317632619.db2.gz OVWBUDQDRBCXIG-PWRODBHTSA-N 2 1 346.515 3.081 20 0 EGADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903092457 1317650161 /nfs/dbraw/zinc/65/01/61/1317650161.db2.gz JXMHOQOUVGQCGR-ONQFOCNCSA-N 2 1 349.519 3.133 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001020339389 1317651830 /nfs/dbraw/zinc/65/18/30/1317651830.db2.gz NKLKQTCYSNLRMX-UFYCRDLUSA-N 2 1 347.547 3.234 20 0 EGADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903103132 1317653824 /nfs/dbraw/zinc/65/38/24/1317653824.db2.gz FGUIRMPXHCFDHT-RFXRPKLXSA-N 2 1 328.456 3.266 20 0 EGADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903103132 1317653828 /nfs/dbraw/zinc/65/38/28/1317653828.db2.gz FGUIRMPXHCFDHT-RFXRPKLXSA-N 2 1 328.456 3.266 20 0 EGADMP CC[C@H]([NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O)c1ccc(F)cc1 ZINC000903116282 1317655977 /nfs/dbraw/zinc/65/59/77/1317655977.db2.gz GBPJMZKZYAYGGK-UTBUEMAESA-N 2 1 334.479 3.346 20 0 EGADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1c(F)cccc1Cl ZINC000903121498 1317657024 /nfs/dbraw/zinc/65/70/24/1317657024.db2.gz RAVWHKFQBXRBRT-SHBQMWMOSA-N 2 1 338.854 3.260 20 0 EGADMP c1cc2c(cc1CCC[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)OCCO2 ZINC000903125308 1317658674 /nfs/dbraw/zinc/65/86/74/1317658674.db2.gz MFKBAFJESDFXGN-JLYLLQBASA-N 2 1 342.483 3.138 20 0 EGADMP COc1cccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)c1 ZINC000903171830 1317667041 /nfs/dbraw/zinc/66/70/41/1317667041.db2.gz KAPCPSKLZXYUOY-JLYLLQBASA-N 2 1 326.484 3.474 20 0 EGADMP C[C@@H](NCc1cc(N(C)C)cc[nH+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000903198271 1317672076 /nfs/dbraw/zinc/67/20/76/1317672076.db2.gz IEVKZJWZYHNFIN-IEBWSBKVSA-N 2 1 338.499 3.148 20 0 EGADMP C[C@H]1C[C@@H](NCc2cc(N(C)C)cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000903201950 1317673214 /nfs/dbraw/zinc/67/32/14/1317673214.db2.gz RZIPUCXLPVZJCC-HKUYNNGSSA-N 2 1 338.499 3.290 20 0 EGADMP Cn1cnc2cc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)ccc21 ZINC000903207332 1317675190 /nfs/dbraw/zinc/67/51/90/1317675190.db2.gz RYEUYSYLZQLVHM-UHFFFAOYSA-N 2 1 326.488 3.460 20 0 EGADMP C[C@H](COCC1CCCCC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000903355061 1317690323 /nfs/dbraw/zinc/69/03/23/1317690323.db2.gz QYVKIAMSHCCLMU-YLJYHZDGSA-N 2 1 338.536 3.205 20 0 EGADMP FC1(F)C[C@@]2(CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)C1(F)F ZINC000903490880 1317706145 /nfs/dbraw/zinc/70/61/45/1317706145.db2.gz LAQWYRRTQULWRN-OAHLLOKOSA-N 2 1 328.353 3.199 20 0 EGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000808696898 1317717450 /nfs/dbraw/zinc/71/74/50/1317717450.db2.gz YBFDHRTYKGTBGA-YJBOKZPZSA-N 2 1 348.462 3.055 20 0 EGADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000808731962 1317725303 /nfs/dbraw/zinc/72/53/03/1317725303.db2.gz DWAUAXLWUXNAQP-IRXDYDNUSA-N 2 1 341.540 3.486 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000808731962 1317725306 /nfs/dbraw/zinc/72/53/06/1317725306.db2.gz DWAUAXLWUXNAQP-IRXDYDNUSA-N 2 1 341.540 3.486 20 0 EGADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903734613 1317727329 /nfs/dbraw/zinc/72/73/29/1317727329.db2.gz SVMTVDZMSMPETP-MNEFBYGVSA-N 2 1 332.463 3.367 20 0 EGADMP CC[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC[C@@H]1c1ccccc1 ZINC000903734950 1317727661 /nfs/dbraw/zinc/72/76/61/1317727661.db2.gz XVMLWJYZSLVEIM-BVOGOJNSSA-N 2 1 328.500 3.271 20 0 EGADMP FC(F)(F)[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)O1 ZINC000903750320 1317729460 /nfs/dbraw/zinc/72/94/60/1317729460.db2.gz XGDBBMMNXVUEBP-QXSJWSMHSA-N 2 1 334.426 3.198 20 0 EGADMP c1c2c(oc1-c1ccccc1)CC[N@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903764502 1317731020 /nfs/dbraw/zinc/73/10/20/1317731020.db2.gz SSXDXEIMXWFNQD-RXVVDRJESA-N 2 1 338.451 3.073 20 0 EGADMP Cc1c(Cl)ccc2c1C[N@@H+](C[C@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000903782089 1317733151 /nfs/dbraw/zinc/73/31/51/1317733151.db2.gz YSDKEMJAYUSUQA-MRXNPFEDSA-N 2 1 334.891 3.165 20 0 EGADMP CN(C)c1ncc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc21 ZINC000929848429 1328719142 /nfs/dbraw/zinc/71/91/42/1328719142.db2.gz SCGUXNUQEJXAAU-OXJNMPFZSA-N 2 1 338.499 3.217 20 0 EGADMP c1cc2c(cc1C[N@H+]1CC3(CCOCC3)[C@@H]3CCC[C@@H]31)C[NH2+]CC2 ZINC000903827822 1317739681 /nfs/dbraw/zinc/73/96/81/1317739681.db2.gz XYXSSPIHRPWSEU-UXHICEINSA-N 2 1 326.484 3.113 20 0 EGADMP FC(F)(F)c1c[nH]c([C@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903909586 1317746785 /nfs/dbraw/zinc/74/67/85/1317746785.db2.gz FYKXHPLAHKETLP-PBNFFQIGSA-N 2 1 342.409 3.139 20 0 EGADMP FC(F)(F)c1cnc([C@H]2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)[nH]1 ZINC000903909586 1317746790 /nfs/dbraw/zinc/74/67/90/1317746790.db2.gz FYKXHPLAHKETLP-PBNFFQIGSA-N 2 1 342.409 3.139 20 0 EGADMP FC(F)(F)c1cnc([C@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)[nH]1 ZINC000903909586 1317746793 /nfs/dbraw/zinc/74/67/93/1317746793.db2.gz FYKXHPLAHKETLP-PBNFFQIGSA-N 2 1 342.409 3.139 20 0 EGADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903973119 1317759277 /nfs/dbraw/zinc/75/92/77/1317759277.db2.gz ORYYEHGQOANLAP-HSALFYBXSA-N 2 1 328.500 3.379 20 0 EGADMP COc1ccc(C[N@H+](C)C[C@]2(C)CCC[NH2+]C2)cc1OC(F)F ZINC000904307258 1317828256 /nfs/dbraw/zinc/82/82/56/1317828256.db2.gz NCOKDNIRYPQNMQ-QGZVFWFLSA-N 2 1 328.403 3.118 20 0 EGADMP COc1ccc(C[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)cc1OC(F)F ZINC000904307258 1317828268 /nfs/dbraw/zinc/82/82/68/1317828268.db2.gz NCOKDNIRYPQNMQ-QGZVFWFLSA-N 2 1 328.403 3.118 20 0 EGADMP C[C@@H]1C[C@H](N(C)C[C@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000904320962 1317830580 /nfs/dbraw/zinc/83/05/80/1317830580.db2.gz SDWUPRZXHIQVFB-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP COc1ccc([C@H](C[NH2+]C[C@@]2(C)CCC[NH2+]C2)N2CCCCC2)cc1 ZINC000904364927 1317837567 /nfs/dbraw/zinc/83/75/67/1317837567.db2.gz UHDNZRKUIXFYLO-SFTDATJTSA-N 2 1 345.531 3.202 20 0 EGADMP C[C@@]1(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)CCC[NH2+]C1 ZINC000904370994 1317837876 /nfs/dbraw/zinc/83/78/76/1317837876.db2.gz GZHXHWAOGXLYSH-HUUCEWRRSA-N 2 1 334.426 3.057 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCN1c1ccccc1 ZINC000904468727 1317852105 /nfs/dbraw/zinc/85/21/05/1317852105.db2.gz FWCHWVYQTWTDLF-HNNXBMFYSA-N 2 1 327.497 3.105 20 0 EGADMP Fc1cc(F)c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000904475732 1317853252 /nfs/dbraw/zinc/85/32/52/1317853252.db2.gz QLIHPZNSFIDOAO-HKUYNNGSSA-N 2 1 348.368 3.449 20 0 EGADMP [NH3+]Cc1ccccc1NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000904665002 1317879499 /nfs/dbraw/zinc/87/94/99/1317879499.db2.gz KAEWGJNDMSTKMY-UHFFFAOYSA-N 2 1 344.503 3.265 20 0 EGADMP COc1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc2c1OCO2 ZINC000809738136 1317883881 /nfs/dbraw/zinc/88/38/81/1317883881.db2.gz QTCCFVJSZUETQX-UHFFFAOYSA-N 2 1 342.439 3.118 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001020719777 1317886034 /nfs/dbraw/zinc/88/60/34/1317886034.db2.gz QLXDISYNNBNROU-WTGUMLROSA-N 2 1 347.547 3.211 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@](C)(O)C(F)F ZINC000905044482 1317916455 /nfs/dbraw/zinc/91/64/55/1317916455.db2.gz COXLPYDXYXSTQN-KDOFPFPSSA-N 2 1 326.431 3.167 20 0 EGADMP C[C@H](C[NH2+][C@@H](C)c1ccc(Br)nc1)C[NH+]1CCCC1 ZINC000810210859 1317976687 /nfs/dbraw/zinc/97/66/87/1317976687.db2.gz GBRSPVAJYQCUSA-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001021096237 1318080682 /nfs/dbraw/zinc/08/06/82/1318080682.db2.gz KARXYFAHKDIHRL-FHWLQOOXSA-N 2 1 349.563 3.314 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001021211237 1318142095 /nfs/dbraw/zinc/14/20/95/1318142095.db2.gz RXJWIJAZOJUVDB-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001021211237 1318142098 /nfs/dbraw/zinc/14/20/98/1318142098.db2.gz RXJWIJAZOJUVDB-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC000960007184 1318309351 /nfs/dbraw/zinc/30/93/51/1318309351.db2.gz LWRKOIJWONKHEY-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000960022007 1318317246 /nfs/dbraw/zinc/31/72/46/1318317246.db2.gz JRWBFTLPEOWECB-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC000960032746 1318320182 /nfs/dbraw/zinc/32/01/82/1318320182.db2.gz GCGAIVKWBNVJIQ-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC000908504537 1318356914 /nfs/dbraw/zinc/35/69/14/1318356914.db2.gz DBJIPGVMKBGLJU-RTBURBONSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000812826909 1318464616 /nfs/dbraw/zinc/46/46/16/1318464616.db2.gz TYALZZHVMGDBQS-CZUORRHYSA-N 2 1 330.394 3.012 20 0 EGADMP C[N@@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000812826909 1318464621 /nfs/dbraw/zinc/46/46/21/1318464621.db2.gz TYALZZHVMGDBQS-CZUORRHYSA-N 2 1 330.394 3.012 20 0 EGADMP C[NH+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000812826909 1318464624 /nfs/dbraw/zinc/46/46/24/1318464624.db2.gz TYALZZHVMGDBQS-CZUORRHYSA-N 2 1 330.394 3.012 20 0 EGADMP C[NH+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000812826909 1318464633 /nfs/dbraw/zinc/46/46/33/1318464633.db2.gz TYALZZHVMGDBQS-CZUORRHYSA-N 2 1 330.394 3.012 20 0 EGADMP C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Br)nc1 ZINC000858492245 1328778479 /nfs/dbraw/zinc/77/84/79/1328778479.db2.gz VDKZAGZIKOCHSA-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(Br)nc1 ZINC000858492245 1328778482 /nfs/dbraw/zinc/77/84/82/1328778482.db2.gz VDKZAGZIKOCHSA-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Br)nc1 ZINC000858492245 1328778487 /nfs/dbraw/zinc/77/84/87/1328778487.db2.gz VDKZAGZIKOCHSA-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](CC)CC[C@H]32)o1 ZINC001021741972 1318652576 /nfs/dbraw/zinc/65/25/76/1318652576.db2.gz BDANEMDETHTRMA-FUHWJXTLSA-N 2 1 347.503 3.068 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC2CCCCCC2)CC[N@H+]1C ZINC000960639939 1318758222 /nfs/dbraw/zinc/75/82/22/1318758222.db2.gz DTESZUVKYQGFRA-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCCCCC2)CC[NH+]1C ZINC000960639939 1318758223 /nfs/dbraw/zinc/75/82/23/1318758223.db2.gz DTESZUVKYQGFRA-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCCCCC2)CC[NH+]1C ZINC000960639939 1318758228 /nfs/dbraw/zinc/75/82/28/1318758228.db2.gz DTESZUVKYQGFRA-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCCC1)C1CCC1 ZINC000960667809 1318783638 /nfs/dbraw/zinc/78/36/38/1318783638.db2.gz KPBXOGJYUYEENK-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1)CC1CCCCCC1 ZINC000960667809 1318783644 /nfs/dbraw/zinc/78/36/44/1318783644.db2.gz KPBXOGJYUYEENK-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1)CC1CCCCCC1 ZINC000960667809 1318783651 /nfs/dbraw/zinc/78/36/51/1318783651.db2.gz KPBXOGJYUYEENK-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP O=C(CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C1CC1 ZINC000814639840 1318791206 /nfs/dbraw/zinc/79/12/06/1318791206.db2.gz GPQZUKVJLPCUGI-UHFFFAOYSA-N 2 1 326.484 3.344 20 0 EGADMP CC1CCC(C[N@@H+](C)C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000960682487 1318791334 /nfs/dbraw/zinc/79/13/34/1318791334.db2.gz PFAZSZKULYCRKA-CTWPCTMYSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC[N@H+]1C ZINC001022109913 1318797030 /nfs/dbraw/zinc/79/70/30/1318797030.db2.gz WVWJRVKYQXDFID-ZSYWTGECSA-N 2 1 349.563 3.170 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC000960694039 1318797592 /nfs/dbraw/zinc/79/75/92/1318797592.db2.gz WCVQXAXPKDFUHL-IEBWSBKVSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3ccccc3C)C2)CC[N@H+]1C ZINC001022109201 1318797725 /nfs/dbraw/zinc/79/77/25/1318797725.db2.gz JOYXPFPPVLFSSD-VBYALHQYSA-N 2 1 343.515 3.023 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001022166440 1318825233 /nfs/dbraw/zinc/82/52/33/1318825233.db2.gz VYJMSYVKZPBKSI-GNBUJSLZSA-N 2 1 343.515 3.167 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCCC1 ZINC000960755533 1318857213 /nfs/dbraw/zinc/85/72/13/1318857213.db2.gz XQRXLCDVZZYZCF-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCCC1 ZINC000960755533 1318857225 /nfs/dbraw/zinc/85/72/25/1318857225.db2.gz XQRXLCDVZZYZCF-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000960833919 1318962545 /nfs/dbraw/zinc/96/25/45/1318962545.db2.gz OUGQVKGYDMPLQB-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000960833919 1318962552 /nfs/dbraw/zinc/96/25/52/1318962552.db2.gz OUGQVKGYDMPLQB-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000960833919 1318962559 /nfs/dbraw/zinc/96/25/59/1318962559.db2.gz OUGQVKGYDMPLQB-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CC1CC(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001022588375 1319005593 /nfs/dbraw/zinc/00/55/93/1319005593.db2.gz GQKJJGGTBSNNDX-LUMWRGHGSA-N 2 1 347.547 3.066 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815584174 1319020938 /nfs/dbraw/zinc/02/09/38/1319020938.db2.gz XMYZEDVYBJJLDM-VYDXJSESSA-N 2 1 331.460 3.167 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000815584174 1319020943 /nfs/dbraw/zinc/02/09/43/1319020943.db2.gz XMYZEDVYBJJLDM-VYDXJSESSA-N 2 1 331.460 3.167 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)c1ccc(Cl)cc1 ZINC001022711681 1319079118 /nfs/dbraw/zinc/07/91/18/1319079118.db2.gz COTSYQCZGCOOQI-DTDBQYNISA-N 2 1 349.906 3.122 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)c1 ZINC001022711967 1319079439 /nfs/dbraw/zinc/07/94/39/1319079439.db2.gz HBPJCOGPPBVPPL-ZSYWTGECSA-N 2 1 343.515 3.086 20 0 EGADMP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)cs1 ZINC001022806792 1319118954 /nfs/dbraw/zinc/11/89/54/1319118954.db2.gz AGCGXAUEXOCRED-FGTMMUONSA-N 2 1 349.544 3.056 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001022838396 1319132640 /nfs/dbraw/zinc/13/26/40/1319132640.db2.gz MUAOQQUTKOJGDC-IYWMVGAKSA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001023084498 1319255653 /nfs/dbraw/zinc/25/56/53/1319255653.db2.gz QQBPTJGRGVVWAS-NMLACTOBSA-N 2 1 343.515 3.060 20 0 EGADMP Cn1c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc2cc(F)ccc21 ZINC000817903808 1319456602 /nfs/dbraw/zinc/45/66/02/1319456602.db2.gz LLIXODPDJFJMOC-ARFHVFGLSA-N 2 1 330.451 3.113 20 0 EGADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817938924 1319467167 /nfs/dbraw/zinc/46/71/67/1319467167.db2.gz VSMGJWZHNLFVAR-HNNXBMFYSA-N 2 1 331.460 3.346 20 0 EGADMP CC[NH+](CC)Cc1cc([C@@H](C)NC[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000817945776 1319472362 /nfs/dbraw/zinc/47/23/62/1319472362.db2.gz LQQFNLWHKBQFIE-IAGOWNOFSA-N 2 1 333.520 3.187 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ncc(Br)s1 ZINC000817947959 1319473341 /nfs/dbraw/zinc/47/33/41/1319473341.db2.gz HFUHMYHFEXYAMS-SNVBAGLBSA-N 2 1 340.290 3.258 20 0 EGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000817957678 1319476663 /nfs/dbraw/zinc/47/66/63/1319476663.db2.gz DQFSVVXZYZFGMX-KBXCAEBGSA-N 2 1 331.460 3.201 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1C[NH+]1CCCCC1 ZINC000817965588 1319479289 /nfs/dbraw/zinc/47/92/89/1319479289.db2.gz YACSNGGQMNHLGF-MRXNPFEDSA-N 3 1 331.504 3.213 20 0 EGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817982515 1319485754 /nfs/dbraw/zinc/48/57/54/1319485754.db2.gz UGEQWZUJTYLOFG-YESZJQIVSA-N 2 1 339.524 3.272 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961363894 1319521346 /nfs/dbraw/zinc/52/13/46/1319521346.db2.gz CDJIEYGXHOHBJS-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000961363894 1319521351 /nfs/dbraw/zinc/52/13/51/1319521351.db2.gz CDJIEYGXHOHBJS-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000961363894 1319521359 /nfs/dbraw/zinc/52/13/59/1319521359.db2.gz CDJIEYGXHOHBJS-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccc3ccccc3c1)CC[NH2+]CC2 ZINC000818340655 1319530558 /nfs/dbraw/zinc/53/05/58/1319530558.db2.gz PLXWWFIHPVLWBO-INIZCTEOSA-N 2 1 337.467 3.242 20 0 EGADMP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961400269 1319555648 /nfs/dbraw/zinc/55/56/48/1319555648.db2.gz FZASSUUUNTYNSY-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC000961410710 1319567458 /nfs/dbraw/zinc/56/74/58/1319567458.db2.gz CUUYVANVGYLIEE-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000961434352 1319587418 /nfs/dbraw/zinc/58/74/18/1319587418.db2.gz FJMQSRMMBRDQFR-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)c1ccccc1F ZINC000818962735 1319593569 /nfs/dbraw/zinc/59/35/69/1319593569.db2.gz XDSQXLBLCRXZBG-FQEVSTJZSA-N 2 1 330.447 3.489 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961440222 1319593829 /nfs/dbraw/zinc/59/38/29/1319593829.db2.gz KTSASIIECAEPOZ-AZUAARDMSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)c1 ZINC000818970972 1319596273 /nfs/dbraw/zinc/59/62/73/1319596273.db2.gz RCRALQLDUXMQGA-LJQANCHMSA-N 2 1 334.410 3.240 20 0 EGADMP O[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1C(F)(F)F ZINC000819355755 1319708485 /nfs/dbraw/zinc/70/84/85/1319708485.db2.gz UQUANOLGEQKKCS-KRWDZBQOSA-N 2 1 342.405 3.345 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001023749970 1319894340 /nfs/dbraw/zinc/89/43/40/1319894340.db2.gz DLRQTPDUDIFVCO-WOJBJXKFSA-N 2 1 349.563 3.127 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001023749970 1319894351 /nfs/dbraw/zinc/89/43/51/1319894351.db2.gz DLRQTPDUDIFVCO-WOJBJXKFSA-N 2 1 349.563 3.127 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001023749970 1319894359 /nfs/dbraw/zinc/89/43/59/1319894359.db2.gz DLRQTPDUDIFVCO-WOJBJXKFSA-N 2 1 349.563 3.127 20 0 EGADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000822838741 1320128027 /nfs/dbraw/zinc/12/80/27/1320128027.db2.gz CJWHTTGXALGVGN-MRXNPFEDSA-N 2 1 346.519 3.033 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000823736680 1320202265 /nfs/dbraw/zinc/20/22/65/1320202265.db2.gz KNUWEOBXLDWEQH-DLBZAZTESA-N 2 1 341.540 3.105 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000839092706 1320868111 /nfs/dbraw/zinc/86/81/11/1320868111.db2.gz VCPSTMYQAQWLLS-SJORKVTESA-N 2 1 341.540 3.201 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000839092706 1320868121 /nfs/dbraw/zinc/86/81/21/1320868121.db2.gz VCPSTMYQAQWLLS-SJORKVTESA-N 2 1 341.540 3.201 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2CN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000859155669 1328933500 /nfs/dbraw/zinc/93/35/00/1328933500.db2.gz ODAJWYZMPTTXAE-DOTOQJQBSA-N 2 1 339.524 3.048 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC000840939408 1321182023 /nfs/dbraw/zinc/18/20/23/1321182023.db2.gz MKOVKVVFQBFOMP-CEWLAPEOSA-N 2 1 336.483 3.175 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC000840939408 1321182026 /nfs/dbraw/zinc/18/20/26/1321182026.db2.gz MKOVKVVFQBFOMP-CEWLAPEOSA-N 2 1 336.483 3.175 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000841030890 1321204387 /nfs/dbraw/zinc/20/43/87/1321204387.db2.gz SPUCKPCCVAASBG-IBGZPJMESA-N 2 1 347.503 3.142 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@H](C)C[NH3+] ZINC000841048340 1321209260 /nfs/dbraw/zinc/20/92/60/1321209260.db2.gz HSXBSOGTYZPUPC-LLVKDONJSA-N 2 1 341.286 3.231 20 0 EGADMP C[C@@H](C(=O)N(C)c1ccccc1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213355 1328946977 /nfs/dbraw/zinc/94/69/77/1328946977.db2.gz HFCZWOGSBYNJFV-KRWDZBQOSA-N 2 1 339.483 3.232 20 0 EGADMP C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213355 1328946980 /nfs/dbraw/zinc/94/69/80/1328946980.db2.gz HFCZWOGSBYNJFV-KRWDZBQOSA-N 2 1 339.483 3.232 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc(=O)oc2c1C ZINC000842474128 1321393271 /nfs/dbraw/zinc/39/32/71/1321393271.db2.gz GBRJDTHWXKZNRL-APWZRJJASA-N 2 1 340.467 3.374 20 0 EGADMP C[N@@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)C1CCC([NH3+])CC1 ZINC000843054782 1321462729 /nfs/dbraw/zinc/46/27/29/1321462729.db2.gz HOQUNWVXSWCQGL-UHFFFAOYSA-N 2 1 345.468 3.241 20 0 EGADMP O[C@@H](C[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000843066741 1321465181 /nfs/dbraw/zinc/46/51/81/1321465181.db2.gz UBMZRGUTIQQLMC-ROUUACIJSA-N 2 1 330.497 3.283 20 0 EGADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000843126784 1321474017 /nfs/dbraw/zinc/47/40/17/1321474017.db2.gz AFGMRUHJCBDQCB-NEPJUHHUSA-N 2 1 338.858 3.248 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000843368452 1321507949 /nfs/dbraw/zinc/50/79/49/1321507949.db2.gz SGHFLLKEUOJIJY-PEFDPPPMSA-N 2 1 337.467 3.226 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000843368452 1321507954 /nfs/dbraw/zinc/50/79/54/1321507954.db2.gz SGHFLLKEUOJIJY-PEFDPPPMSA-N 2 1 337.467 3.226 20 0 EGADMP CC[N@H+](CCCNCc1ncc(C[NH+](C)C)s1)C1CCCCC1 ZINC000846022040 1321763478 /nfs/dbraw/zinc/76/34/78/1321763478.db2.gz IEEVCVFJQXTKIR-UHFFFAOYSA-N 2 1 338.565 3.339 20 0 EGADMP CC[N@@H+](CCCNCc1ncc(C[NH+](C)C)s1)C1CCCCC1 ZINC000846022040 1321763483 /nfs/dbraw/zinc/76/34/83/1321763483.db2.gz IEEVCVFJQXTKIR-UHFFFAOYSA-N 2 1 338.565 3.339 20 0 EGADMP CC[C@@H](C)[N@@H+](CCCCCC[NH3+])Cc1nc2ccccc2c(=O)[nH]1 ZINC000846218423 1321777338 /nfs/dbraw/zinc/77/73/38/1321777338.db2.gz UQMAFPDJSVJDNP-OAHLLOKOSA-N 2 1 330.476 3.455 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cc(=O)oc2c1C ZINC000846225431 1321777587 /nfs/dbraw/zinc/77/75/87/1321777587.db2.gz AYXXJQKZOGZESG-KDOFPFPSSA-N 2 1 328.456 3.359 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000846814395 1321811466 /nfs/dbraw/zinc/81/14/66/1321811466.db2.gz BTOOTNCPXFDILC-SJLPKXTDSA-N 2 1 331.460 3.314 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000846814395 1321811469 /nfs/dbraw/zinc/81/14/69/1321811469.db2.gz BTOOTNCPXFDILC-SJLPKXTDSA-N 2 1 331.460 3.314 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccc5nonc5c4)C3)C2)cc1 ZINC000846899821 1321821474 /nfs/dbraw/zinc/82/14/74/1321821474.db2.gz SLMSZOZKGXNIAM-NRFANRHFSA-N 2 1 348.450 3.321 20 0 EGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccc5nonc5c4)C3)C2)cc1 ZINC000846899821 1321821478 /nfs/dbraw/zinc/82/14/78/1321821478.db2.gz SLMSZOZKGXNIAM-NRFANRHFSA-N 2 1 348.450 3.321 20 0 EGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccc5nonc5c4)C3)C2)cc1 ZINC000846899821 1321821482 /nfs/dbraw/zinc/82/14/82/1321821482.db2.gz SLMSZOZKGXNIAM-NRFANRHFSA-N 2 1 348.450 3.321 20 0 EGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccc5nonc5c4)C3)C2)cc1 ZINC000846899821 1321821486 /nfs/dbraw/zinc/82/14/86/1321821486.db2.gz SLMSZOZKGXNIAM-NRFANRHFSA-N 2 1 348.450 3.321 20 0 EGADMP CC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000849012898 1322057716 /nfs/dbraw/zinc/05/77/16/1322057716.db2.gz QFHADNVGTRHFTD-RDJZCZTQSA-N 2 1 332.492 3.135 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000849050914 1322059093 /nfs/dbraw/zinc/05/90/93/1322059093.db2.gz OBQDCSBZDJSEPF-HNNXBMFYSA-N 2 1 342.409 3.194 20 0 EGADMP C[N@@H+](CCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)C1CCCC1 ZINC000849083893 1322071814 /nfs/dbraw/zinc/07/18/14/1322071814.db2.gz NXBHELSOAVUMMN-UHFFFAOYSA-N 2 1 344.381 3.396 20 0 EGADMP CCc1cccc(NC(=[NH2+])NCC2([NH+](C)C)Cc3ccccc3C2)c1 ZINC000849098547 1322077732 /nfs/dbraw/zinc/07/77/32/1322077732.db2.gz VRIKAEWKKIHARE-UHFFFAOYSA-N 2 1 336.483 3.284 20 0 EGADMP COc1ccc(NC(=[NH2+])NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1Cl ZINC000849110653 1322082228 /nfs/dbraw/zinc/08/22/28/1322082228.db2.gz MXJQWVLCBVXTFF-HNNXBMFYSA-N 2 1 338.883 3.405 20 0 EGADMP COc1ccc(NC(=[NH2+])NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1Cl ZINC000849110654 1322082503 /nfs/dbraw/zinc/08/25/03/1322082503.db2.gz MXJQWVLCBVXTFF-OAHLLOKOSA-N 2 1 338.883 3.405 20 0 EGADMP CN(CCC[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2)C(=O)OC(C)(C)C ZINC000849349781 1322117115 /nfs/dbraw/zinc/11/71/15/1322117115.db2.gz HCDKLRGAIWITJK-UHFFFAOYSA-N 2 1 347.503 3.021 20 0 EGADMP Fc1ccc([C@@H]2C[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1F ZINC000923312387 1322731905 /nfs/dbraw/zinc/73/19/05/1322731905.db2.gz KLCFGYFXADVBLK-RFXRPKLXSA-N 2 1 336.426 3.259 20 0 EGADMP Fc1ccc([C@@H]2C[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1F ZINC000923312387 1322731910 /nfs/dbraw/zinc/73/19/10/1322731910.db2.gz KLCFGYFXADVBLK-RFXRPKLXSA-N 2 1 336.426 3.259 20 0 EGADMP CCc1ncc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000923346191 1322738524 /nfs/dbraw/zinc/73/85/24/1322738524.db2.gz WCEMPOGXNMOZQI-HKUYNNGSSA-N 2 1 327.472 3.409 20 0 EGADMP [NH3+]CC[C@H]1CC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000923487651 1322760843 /nfs/dbraw/zinc/76/08/43/1322760843.db2.gz NEBFTLLYIQEHQJ-ZDUSSCGKSA-N 2 1 335.448 3.032 20 0 EGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000923487651 1322760846 /nfs/dbraw/zinc/76/08/46/1322760846.db2.gz NEBFTLLYIQEHQJ-ZDUSSCGKSA-N 2 1 335.448 3.032 20 0 EGADMP CO[C@@H](C)c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)cs1 ZINC000923509087 1322765960 /nfs/dbraw/zinc/76/59/60/1322765960.db2.gz YYKZLVAFEXZROT-GJZGRUSLSA-N 2 1 337.533 3.452 20 0 EGADMP c1ccc(-c2nc3ccccn3c2C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923516804 1322767575 /nfs/dbraw/zinc/76/75/75/1322767575.db2.gz SQBVQWKDRHXZGR-ZWKOTPCHSA-N 2 1 332.451 3.043 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001023994022 1323067271 /nfs/dbraw/zinc/06/72/71/1323067271.db2.gz WMLIWIHSDBEJAL-AEFFLSMTSA-N 2 1 346.519 3.025 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024009978 1323078246 /nfs/dbraw/zinc/07/82/46/1323078246.db2.gz COPRXGFVPOTJBL-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC3=CCCCC3)C2)CC[N@H+]1C ZINC001024120097 1323150032 /nfs/dbraw/zinc/15/00/32/1323150032.db2.gz KHZITVNKFPIFBG-IHPCNDPISA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1[C@H](NC2CC[NH+](C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000924841809 1323183943 /nfs/dbraw/zinc/18/39/43/1323183943.db2.gz DWQKJCMQYVEYCR-DYESRHJHSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCN1Cc1ccccc1 ZINC000924841809 1323183949 /nfs/dbraw/zinc/18/39/49/1323183949.db2.gz DWQKJCMQYVEYCR-DYESRHJHSA-N 2 1 327.516 3.256 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc(Br)n1 ZINC000924947763 1323223843 /nfs/dbraw/zinc/22/38/43/1323223843.db2.gz AVKFOJHSOURUIP-NEPJUHHUSA-N 2 1 337.265 3.336 20 0 EGADMP C[C@](O)(C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000925039461 1323252593 /nfs/dbraw/zinc/25/25/93/1323252593.db2.gz GKSDLSUNFJRFBF-VTHDOGFWSA-N 2 1 328.500 3.323 20 0 EGADMP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853084699 1323276275 /nfs/dbraw/zinc/27/62/75/1323276275.db2.gz XBZAONQIXYTZCU-INIZCTEOSA-N 2 1 339.524 3.001 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC000853098442 1323281661 /nfs/dbraw/zinc/28/16/61/1323281661.db2.gz JNHXSTBLFISXRB-LAUBAEHRSA-N 2 1 339.483 3.137 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024437836 1323398776 /nfs/dbraw/zinc/39/87/76/1323398776.db2.gz WXZDWNPSKMXHIB-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001024437836 1323398779 /nfs/dbraw/zinc/39/87/79/1323398779.db2.gz WXZDWNPSKMXHIB-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001024437836 1323398785 /nfs/dbraw/zinc/39/87/85/1323398785.db2.gz WXZDWNPSKMXHIB-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440158 1323401119 /nfs/dbraw/zinc/40/11/19/1323401119.db2.gz LKGRUUAUMRCXEE-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440158 1323401122 /nfs/dbraw/zinc/40/11/22/1323401122.db2.gz LKGRUUAUMRCXEE-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440158 1323401126 /nfs/dbraw/zinc/40/11/26/1323401126.db2.gz LKGRUUAUMRCXEE-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001024513044 1323464156 /nfs/dbraw/zinc/46/41/56/1323464156.db2.gz MJVYCKJMJSHZSD-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCCC1 ZINC001024513044 1323464158 /nfs/dbraw/zinc/46/41/58/1323464158.db2.gz MJVYCKJMJSHZSD-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCCC1 ZINC001024513044 1323464162 /nfs/dbraw/zinc/46/41/62/1323464162.db2.gz MJVYCKJMJSHZSD-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1=CCCCC1 ZINC001024514331 1323466094 /nfs/dbraw/zinc/46/60/94/1323466094.db2.gz XTRHWNKFFYLXHZ-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1=CCCCC1 ZINC001024514331 1323466101 /nfs/dbraw/zinc/46/61/01/1323466101.db2.gz XTRHWNKFFYLXHZ-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1=CCCCC1 ZINC001024514331 1323466104 /nfs/dbraw/zinc/46/61/04/1323466104.db2.gz XTRHWNKFFYLXHZ-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCC(C)(C)C)CC[N@H+]1C ZINC001024619679 1323546684 /nfs/dbraw/zinc/54/66/84/1323546684.db2.gz ADADUIPAHPSVMU-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCC(C)(C)C)CC[NH+]1C ZINC001024619679 1323546690 /nfs/dbraw/zinc/54/66/90/1323546690.db2.gz ADADUIPAHPSVMU-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CCC(C)(C)C)CC[NH+]1C ZINC001024619679 1323546695 /nfs/dbraw/zinc/54/66/95/1323546695.db2.gz ADADUIPAHPSVMU-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CC1 ZINC001024692940 1323609519 /nfs/dbraw/zinc/60/95/19/1323609519.db2.gz UIVWDILONIBIRE-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CC1 ZINC001024692940 1323609523 /nfs/dbraw/zinc/60/95/23/1323609523.db2.gz UIVWDILONIBIRE-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CC1 ZINC001024692940 1323609528 /nfs/dbraw/zinc/60/95/28/1323609528.db2.gz UIVWDILONIBIRE-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024737900 1323636610 /nfs/dbraw/zinc/63/66/10/1323636610.db2.gz PJTOSIBNJLDGRO-LJQANCHMSA-N 2 1 335.536 3.044 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CC1 ZINC001024813380 1323715644 /nfs/dbraw/zinc/71/56/44/1323715644.db2.gz AXAVEISCNQXHJE-LJQANCHMSA-N 2 1 343.515 3.133 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001025004837 1323822738 /nfs/dbraw/zinc/82/27/38/1323822738.db2.gz CIXJWELBHXAXAU-GOSISDBHSA-N 2 1 335.536 3.020 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCC2)C1 ZINC001025084380 1323886436 /nfs/dbraw/zinc/88/64/36/1323886436.db2.gz VUMNTBTWLJMLEN-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCCC[C@H]2[C@@H]2CCC[N@H+]2CC2CCC2)CCC1 ZINC001025240852 1324034805 /nfs/dbraw/zinc/03/48/05/1324034805.db2.gz RNMFSEQNITYLBK-OALUTQOASA-N 2 1 347.547 3.116 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+]1CC1CCC1)C1CCC1 ZINC001025241382 1324036823 /nfs/dbraw/zinc/03/68/23/1324036823.db2.gz WWWAKUBFQFCPLI-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CC1CCC1)C1CCC1 ZINC001025241382 1324036830 /nfs/dbraw/zinc/03/68/30/1324036830.db2.gz WWWAKUBFQFCPLI-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+]1CC1CCC1)C1CCC1 ZINC001025241382 1324036835 /nfs/dbraw/zinc/03/68/35/1324036835.db2.gz WWWAKUBFQFCPLI-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514790 1324359741 /nfs/dbraw/zinc/35/97/41/1324359741.db2.gz FVYURBBIZNOVRS-IRXDYDNUSA-N 2 1 349.519 3.218 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025629659 1324481302 /nfs/dbraw/zinc/48/13/02/1324481302.db2.gz IOCSIYCLWJRCGL-QZTJIDSGSA-N 2 1 345.531 3.235 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001026492377 1324845509 /nfs/dbraw/zinc/84/55/09/1324845509.db2.gz KFSJGXBDGZGSCI-SOAGJPPSSA-N 2 1 349.563 3.457 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC2CCC([NH2+]CC3CCCC3)CC2)C1 ZINC001026505703 1324854025 /nfs/dbraw/zinc/85/40/25/1324854025.db2.gz NBAHKSNMZBMLCV-HDYDNRTBSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001026561340 1324896521 /nfs/dbraw/zinc/89/65/21/1324896521.db2.gz XBFLCTANJIOKRD-IPJUCJBFSA-N 2 1 335.536 3.068 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccsc2)CC1 ZINC001026610735 1324932986 /nfs/dbraw/zinc/93/29/86/1324932986.db2.gz UQLKSHBVKUJTSB-ABHNRTSZSA-N 2 1 349.544 3.140 20 0 EGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC2(C1)CCCC2 ZINC000925119138 1325053341 /nfs/dbraw/zinc/05/33/41/1325053341.db2.gz DBRSQCILRSVWBD-AZUAARDMSA-N 2 1 328.500 3.182 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC2(C1)CCCC2 ZINC000925119138 1325053345 /nfs/dbraw/zinc/05/33/45/1325053345.db2.gz DBRSQCILRSVWBD-AZUAARDMSA-N 2 1 328.500 3.182 20 0 EGADMP CCS[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)C1 ZINC000925219975 1325084979 /nfs/dbraw/zinc/08/49/79/1325084979.db2.gz YFDWMQZNEGCQBE-QCLGFWRNSA-N 2 1 326.550 3.282 20 0 EGADMP CC(C)[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000963332263 1325116513 /nfs/dbraw/zinc/11/65/13/1325116513.db2.gz WMHMMXRNZXOPAX-VIQWUECVSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000963337326 1325126234 /nfs/dbraw/zinc/12/62/34/1325126234.db2.gz NWRBQSYCENIXEU-VQIMIIECSA-N 2 1 340.471 3.061 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360370 1325156208 /nfs/dbraw/zinc/15/62/08/1325156208.db2.gz MIRRBOXKKHAVEQ-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963360370 1325156215 /nfs/dbraw/zinc/15/62/15/1325156215.db2.gz MIRRBOXKKHAVEQ-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963360370 1325156218 /nfs/dbraw/zinc/15/62/18/1325156218.db2.gz MIRRBOXKKHAVEQ-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP N[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C12CCC2 ZINC000925560027 1325209185 /nfs/dbraw/zinc/20/91/85/1325209185.db2.gz VYPMQWOALLEQJO-RBUKOAKNSA-N 2 1 347.934 3.412 20 0 EGADMP COc1cccc(Oc2ccc(C[NH2+][C@@H]3C[C@H]([NH3+])C34CCC4)cn2)c1 ZINC000925564614 1325211585 /nfs/dbraw/zinc/21/15/85/1325211585.db2.gz URZCYBOGLLWSDW-ZWKOTPCHSA-N 2 1 339.439 3.242 20 0 EGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCCCC[NH+]2CCNCC2)C1 ZINC000925846352 1325326540 /nfs/dbraw/zinc/32/65/40/1325326540.db2.gz LZRXYBRVOGTJDX-UXHICEINSA-N 2 1 344.547 3.081 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000963678338 1325374691 /nfs/dbraw/zinc/37/46/91/1325374691.db2.gz XROIKKNSMCRKQR-UHFFFAOYSA-N 2 1 344.503 3.051 20 0 EGADMP Cc1cccc2c1[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CC2 ZINC000926125069 1325439233 /nfs/dbraw/zinc/43/92/33/1325439233.db2.gz JYLPASXEVJGJRZ-LEWJYISDSA-N 2 1 336.479 3.339 20 0 EGADMP C[N@@H+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027333141 1325492109 /nfs/dbraw/zinc/49/21/09/1325492109.db2.gz VHTKOBBOGWQLDR-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001027333141 1325492118 /nfs/dbraw/zinc/49/21/18/1325492118.db2.gz VHTKOBBOGWQLDR-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001027333141 1325492126 /nfs/dbraw/zinc/49/21/26/1325492126.db2.gz VHTKOBBOGWQLDR-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP OC[C@@H](CC(F)F)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926285503 1325503150 /nfs/dbraw/zinc/50/31/50/1325503150.db2.gz QAANPMFHQFIHRM-KCBNDJSGSA-N 2 1 338.442 3.178 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000964392949 1325503541 /nfs/dbraw/zinc/50/35/41/1325503541.db2.gz RSNIBPKFKURJMC-UHFFFAOYSA-N 2 1 344.503 3.051 20 0 EGADMP c1ccc(C[NH+]2CC[C@H](CN[C@H]3CCC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000926327574 1325516888 /nfs/dbraw/zinc/51/68/88/1325516888.db2.gz XWKHCVMPUKZLTR-HKBOAZHASA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](CN[C@H]3CCC[NH+]4CCCC[C@@H]34)C2)cc1 ZINC000926327574 1325516895 /nfs/dbraw/zinc/51/68/95/1325516895.db2.gz XWKHCVMPUKZLTR-HKBOAZHASA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN[C@H]3CCC[NH+]4CCCC[C@@H]34)C2)cc1 ZINC000926327574 1325516903 /nfs/dbraw/zinc/51/69/03/1325516903.db2.gz XWKHCVMPUKZLTR-HKBOAZHASA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3CCCN4CCCC[C@@H]34)C2)cc1 ZINC000926327574 1325516907 /nfs/dbraw/zinc/51/69/07/1325516907.db2.gz XWKHCVMPUKZLTR-HKBOAZHASA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CCCN4CCCC[C@@H]34)C2)cc1 ZINC000926327574 1325516912 /nfs/dbraw/zinc/51/69/12/1325516912.db2.gz XWKHCVMPUKZLTR-HKBOAZHASA-N 2 1 327.516 3.115 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000856762799 1325520275 /nfs/dbraw/zinc/52/02/75/1325520275.db2.gz WTWHZJCALZYYGD-LJQANCHMSA-N 2 1 343.515 3.098 20 0 EGADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)on1 ZINC000926380164 1325534778 /nfs/dbraw/zinc/53/47/78/1325534778.db2.gz YHKZDRNCAURMBX-CQSZACIVSA-N 2 1 345.443 3.007 20 0 EGADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000856930481 1325542074 /nfs/dbraw/zinc/54/20/74/1325542074.db2.gz WNIIOAGNOVQGCS-PXNSSMCTSA-N 2 1 343.515 3.100 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1(CO)CC1 ZINC000926694561 1327670491 /nfs/dbraw/zinc/67/04/91/1327670491.db2.gz RNLCYOPQVMDJKA-VOBGVNJCSA-N 2 1 328.500 3.323 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH+](C)CC3CCCC3)C2)C1 ZINC001027438859 1327678731 /nfs/dbraw/zinc/67/87/31/1327678731.db2.gz VVRGRGDAJFHUQD-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CCC[C@H]([N@H+](C)CC3CCCC3)C2)C1 ZINC001027438859 1327678740 /nfs/dbraw/zinc/67/87/40/1327678740.db2.gz VVRGRGDAJFHUQD-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)CC3CCCC3)C2)C1 ZINC001027438859 1327678751 /nfs/dbraw/zinc/67/87/51/1327678751.db2.gz VVRGRGDAJFHUQD-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027447976 1327689520 /nfs/dbraw/zinc/68/95/20/1327689520.db2.gz CRNJXCOIZFKLQC-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCC1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001027447976 1327689527 /nfs/dbraw/zinc/68/95/27/1327689527.db2.gz CRNJXCOIZFKLQC-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCC1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001027447976 1327689534 /nfs/dbraw/zinc/68/95/34/1327689534.db2.gz CRNJXCOIZFKLQC-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001027561747 1327879657 /nfs/dbraw/zinc/87/96/57/1327879657.db2.gz AKTHYQQWGQUQBW-WOJBJXKFSA-N 2 1 345.531 3.004 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH+](C)CCC3=CCCCC3)C2)C1 ZINC001027576632 1327914992 /nfs/dbraw/zinc/91/49/92/1327914992.db2.gz SPJDKIQIWPGOEB-ICSRJNTNSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@H]([N@H+](C)CCC3=CCCCC3)C2)C1 ZINC001027576632 1327915004 /nfs/dbraw/zinc/91/50/04/1327915004.db2.gz SPJDKIQIWPGOEB-ICSRJNTNSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@H]([N@@H+](C)CCC3=CCCCC3)C2)C1 ZINC001027576632 1327915012 /nfs/dbraw/zinc/91/50/12/1327915012.db2.gz SPJDKIQIWPGOEB-ICSRJNTNSA-N 2 1 347.547 3.142 20 0 EGADMP C[N@@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027603062 1327957278 /nfs/dbraw/zinc/95/72/78/1327957278.db2.gz CTXAWRMDIZUHLC-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CC1=CCCCC1)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027604326 1327959848 /nfs/dbraw/zinc/95/98/48/1327959848.db2.gz OUXGCCWTVZPGIZ-FQEVSTJZSA-N 2 1 347.547 3.142 20 0 EGADMP C[N@@H+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694397 1328100756 /nfs/dbraw/zinc/10/07/56/1328100756.db2.gz XJSTZRPHDNNTGN-HXUWFJFHSA-N 2 1 347.547 3.286 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)CC3CC3)C2)o1 ZINC001027699870 1328113610 /nfs/dbraw/zinc/11/36/10/1328113610.db2.gz LIYDIWYGRWLBCY-KRWDZBQOSA-N 2 1 347.503 3.068 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966076852 1328170979 /nfs/dbraw/zinc/17/09/79/1328170979.db2.gz ODCLTHCFOCTCGO-ZWKOTPCHSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027878502 1328342410 /nfs/dbraw/zinc/34/24/10/1328342410.db2.gz DBEZXWAUIATXRP-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC001027878502 1328342414 /nfs/dbraw/zinc/34/24/14/1328342414.db2.gz DBEZXWAUIATXRP-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCCC1 ZINC001027878502 1328342419 /nfs/dbraw/zinc/34/24/19/1328342419.db2.gz DBEZXWAUIATXRP-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027878504 1328343410 /nfs/dbraw/zinc/34/34/10/1328343410.db2.gz DBEZXWAUIATXRP-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC001027878504 1328343418 /nfs/dbraw/zinc/34/34/18/1328343418.db2.gz DBEZXWAUIATXRP-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCCC1 ZINC001027878504 1328343426 /nfs/dbraw/zinc/34/34/26/1328343426.db2.gz DBEZXWAUIATXRP-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC001027879699 1328347338 /nfs/dbraw/zinc/34/73/38/1328347338.db2.gz WTKXPAFJXKPOJN-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001027879699 1328347321 /nfs/dbraw/zinc/34/73/21/1328347321.db2.gz WTKXPAFJXKPOJN-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001027879699 1328347328 /nfs/dbraw/zinc/34/73/28/1328347328.db2.gz WTKXPAFJXKPOJN-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCC2CCCC2)C1 ZINC001027924069 1328403352 /nfs/dbraw/zinc/40/33/52/1328403352.db2.gz CUNLZBRPTFYMHS-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCC2CCCC2)C1 ZINC001027924069 1328403356 /nfs/dbraw/zinc/40/33/56/1328403356.db2.gz CUNLZBRPTFYMHS-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCC2CCCC2)C1 ZINC001027924069 1328403358 /nfs/dbraw/zinc/40/33/58/1328403358.db2.gz CUNLZBRPTFYMHS-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCCC1 ZINC001027971834 1328445246 /nfs/dbraw/zinc/44/52/46/1328445246.db2.gz MWTNCVBQYJPKHP-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCCCC1 ZINC001027971834 1328445248 /nfs/dbraw/zinc/44/52/48/1328445248.db2.gz MWTNCVBQYJPKHP-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCCCC1 ZINC001027971834 1328445249 /nfs/dbraw/zinc/44/52/49/1328445249.db2.gz MWTNCVBQYJPKHP-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CC)CC1CC[NH+](CN2C[C@H](c3ccccc3)OC2=O)CC1 ZINC000863261113 1329540766 /nfs/dbraw/zinc/54/07/66/1329540766.db2.gz XXRNANHBWNWNPL-LJQANCHMSA-N 2 1 345.487 3.191 20 0 EGADMP CCCn1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)nn1 ZINC000865415256 1329694137 /nfs/dbraw/zinc/69/41/37/1329694137.db2.gz YHLRIQBBQDJCFV-QGZVFWFLSA-N 2 1 341.503 3.210 20 0 EGADMP CCCn1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)nn1 ZINC000865415256 1329694138 /nfs/dbraw/zinc/69/41/38/1329694138.db2.gz YHLRIQBBQDJCFV-QGZVFWFLSA-N 2 1 341.503 3.210 20 0 EGADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)CC1(C)OCCO1 ZINC000865673885 1329728048 /nfs/dbraw/zinc/72/80/48/1329728048.db2.gz LLXMIRJZFIPVEE-GOSISDBHSA-N 2 1 346.515 3.072 20 0 EGADMP C[NH+](C)C1CCC(NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000934085825 1329945453 /nfs/dbraw/zinc/94/54/53/1329945453.db2.gz YXDICWKJQLNZEF-UHFFFAOYSA-N 2 1 345.491 3.066 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC000939235677 1330410663 /nfs/dbraw/zinc/41/06/63/1330410663.db2.gz LTZSJORMLOLGEH-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@H]1C[N@@H+](CCC2CCCC2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942822495 1332042750 /nfs/dbraw/zinc/04/27/50/1332042750.db2.gz LRDKINLRNXYKDG-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[NH+](CCC2CCCC2)CC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942822495 1332042753 /nfs/dbraw/zinc/04/27/53/1332042753.db2.gz LRDKINLRNXYKDG-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[NH+](CCC2CCCC2)CC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942822495 1332042756 /nfs/dbraw/zinc/04/27/56/1332042756.db2.gz LRDKINLRNXYKDG-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCCC3CCC3)C[C@H]2CC1)[NH+](C)C ZINC000946784207 1332898585 /nfs/dbraw/zinc/89/85/85/1332898585.db2.gz DJQYHAVJXNZSBF-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCC1CCCCC1 ZINC000947686432 1333223792 /nfs/dbraw/zinc/22/37/92/1333223792.db2.gz YEXPXRJZQYNJNV-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CC1CCCCC1 ZINC000947725700 1333241254 /nfs/dbraw/zinc/24/12/54/1333241254.db2.gz BXBDVIDCZNEQMJ-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC1CCCCC1 ZINC000947725700 1333241256 /nfs/dbraw/zinc/24/12/56/1333241256.db2.gz BXBDVIDCZNEQMJ-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CC1CCCCC1 ZINC000947725700 1333241258 /nfs/dbraw/zinc/24/12/58/1333241258.db2.gz BXBDVIDCZNEQMJ-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCC1CCCC1 ZINC000947776643 1333258359 /nfs/dbraw/zinc/25/83/59/1333258359.db2.gz XSYGYETYOMVHJN-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947907367 1333301248 /nfs/dbraw/zinc/30/12/48/1333301248.db2.gz GZFJUGBWRBLIOL-XLIONFOSSA-N 2 1 347.547 3.044 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCCC1CCCC1 ZINC000948040641 1333350173 /nfs/dbraw/zinc/35/01/73/1333350173.db2.gz REBYIOSNDNDIKZ-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948067115 1333361987 /nfs/dbraw/zinc/36/19/87/1333361987.db2.gz UCOBJUMYVLVGLF-WMZOPIPTSA-N 2 1 331.504 3.131 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948374319 1333500651 /nfs/dbraw/zinc/50/06/51/1333500651.db2.gz UYBGLIUIRVUTSH-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000948377119 1333501868 /nfs/dbraw/zinc/50/18/68/1333501868.db2.gz HCFMDOKPNUYUCT-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000948377119 1333501871 /nfs/dbraw/zinc/50/18/71/1333501871.db2.gz HCFMDOKPNUYUCT-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000948377119 1333501872 /nfs/dbraw/zinc/50/18/72/1333501872.db2.gz HCFMDOKPNUYUCT-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](CCC(C)C)CC2)CC[N@H+]1C ZINC000948389190 1333504806 /nfs/dbraw/zinc/50/48/06/1333504806.db2.gz PDNCJPSUMZBEDS-CEXWTWQISA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](CCC(C)C)CC2)CC[NH+]1C ZINC000948389190 1333504807 /nfs/dbraw/zinc/50/48/07/1333504807.db2.gz PDNCJPSUMZBEDS-CEXWTWQISA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CCC(C)C)CC2)CC[NH+]1C ZINC000948389190 1333504810 /nfs/dbraw/zinc/50/48/10/1333504810.db2.gz PDNCJPSUMZBEDS-CEXWTWQISA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000948553567 1333572662 /nfs/dbraw/zinc/57/26/62/1333572662.db2.gz ITXNIVRWGGBUEH-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000948553567 1333572664 /nfs/dbraw/zinc/57/26/64/1333572664.db2.gz ITXNIVRWGGBUEH-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000948553567 1333572666 /nfs/dbraw/zinc/57/26/66/1333572666.db2.gz ITXNIVRWGGBUEH-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC000948738417 1333653398 /nfs/dbraw/zinc/65/33/98/1333653398.db2.gz DQOOKYNMKSUAHR-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC000948775729 1333674652 /nfs/dbraw/zinc/67/46/52/1333674652.db2.gz PMYREOMTDIJCKT-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000948775729 1333674654 /nfs/dbraw/zinc/67/46/54/1333674654.db2.gz PMYREOMTDIJCKT-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000948775729 1333674656 /nfs/dbraw/zinc/67/46/56/1333674656.db2.gz PMYREOMTDIJCKT-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829591 1333701942 /nfs/dbraw/zinc/70/19/42/1333701942.db2.gz RBZUJSVRZCUJIG-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000948858587 1333711804 /nfs/dbraw/zinc/71/18/04/1333711804.db2.gz LHQYIBORRGAPBW-UYAOXDASSA-N 2 1 343.515 3.075 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000948858587 1333711805 /nfs/dbraw/zinc/71/18/05/1333711805.db2.gz LHQYIBORRGAPBW-UYAOXDASSA-N 2 1 343.515 3.075 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC000949801529 1333927025 /nfs/dbraw/zinc/92/70/25/1333927025.db2.gz VMCRXSBLJOFNSN-HXUWFJFHSA-N 2 1 349.563 3.223 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)c1 ZINC000950088630 1334012503 /nfs/dbraw/zinc/01/25/03/1334012503.db2.gz JUFGQILRAKXAKP-AZUAARDMSA-N 2 1 345.531 3.095 20 0 EGADMP CCC(CC)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000950508844 1334083906 /nfs/dbraw/zinc/08/39/06/1334083906.db2.gz SNPSEPBIHUBMCX-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000950635169 1334100098 /nfs/dbraw/zinc/10/00/98/1334100098.db2.gz GESVJEMBLJREBP-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000950708061 1334119453 /nfs/dbraw/zinc/11/94/53/1334119453.db2.gz KASGTRFDCQSHLM-IBGZPJMESA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000952393738 1334445496 /nfs/dbraw/zinc/44/54/96/1334445496.db2.gz LCUBQLHEPPSWSJ-FQEVSTJZSA-N 2 1 343.515 3.014 20 0 EGADMP C[C@@H]1CC[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000968554890 1335960687 /nfs/dbraw/zinc/96/06/87/1335960687.db2.gz YIEYTMSHCJYCCQ-NVXWUHKLSA-N 2 1 346.519 3.024 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000968554890 1335960689 /nfs/dbraw/zinc/96/06/89/1335960689.db2.gz YIEYTMSHCJYCCQ-NVXWUHKLSA-N 2 1 346.519 3.024 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968673823 1336004873 /nfs/dbraw/zinc/00/48/73/1336004873.db2.gz MNFIIEAEZDVMCL-PXNSSMCTSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968683009 1336009347 /nfs/dbraw/zinc/00/93/47/1336009347.db2.gz XGZDBBWMYIQOGA-XLIONFOSSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968683170 1336009644 /nfs/dbraw/zinc/00/96/44/1336009644.db2.gz ZCVGHUWBXHNVCN-YLJYHZDGSA-N 2 1 345.531 3.235 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCC1 ZINC000968850413 1336067712 /nfs/dbraw/zinc/06/77/12/1336067712.db2.gz YAMSNGZKVZKCIF-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCCC1 ZINC000968850413 1336067714 /nfs/dbraw/zinc/06/77/14/1336067714.db2.gz YAMSNGZKVZKCIF-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCCC1 ZINC000968850413 1336067717 /nfs/dbraw/zinc/06/77/17/1336067717.db2.gz YAMSNGZKVZKCIF-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCC1 ZINC000968882515 1336079144 /nfs/dbraw/zinc/07/91/44/1336079144.db2.gz PFZHEXYQXCTQSV-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCC1 ZINC000968882515 1336079146 /nfs/dbraw/zinc/07/91/46/1336079146.db2.gz PFZHEXYQXCTQSV-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCC1 ZINC000968882515 1336079148 /nfs/dbraw/zinc/07/91/48/1336079148.db2.gz PFZHEXYQXCTQSV-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000968916136 1336087701 /nfs/dbraw/zinc/08/77/01/1336087701.db2.gz XGKSZVMHDMZLIE-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928630 1336093187 /nfs/dbraw/zinc/09/31/87/1336093187.db2.gz QHAJUOGTFYWPGW-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000968928630 1336093191 /nfs/dbraw/zinc/09/31/91/1336093191.db2.gz QHAJUOGTFYWPGW-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC000968928630 1336093195 /nfs/dbraw/zinc/09/31/95/1336093195.db2.gz QHAJUOGTFYWPGW-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005648 1336116202 /nfs/dbraw/zinc/11/62/02/1336116202.db2.gz ZENKYJDMBVRHPH-WMZOPIPTSA-N 2 1 349.519 3.362 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005648 1336116203 /nfs/dbraw/zinc/11/62/03/1336116203.db2.gz ZENKYJDMBVRHPH-WMZOPIPTSA-N 2 1 349.519 3.362 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969059806 1336133138 /nfs/dbraw/zinc/13/31/38/1336133138.db2.gz RRBMHMGWCIHBSY-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000969059806 1336133139 /nfs/dbraw/zinc/13/31/39/1336133139.db2.gz RRBMHMGWCIHBSY-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000969059806 1336133140 /nfs/dbraw/zinc/13/31/40/1336133140.db2.gz RRBMHMGWCIHBSY-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000969072467 1336137924 /nfs/dbraw/zinc/13/79/24/1336137924.db2.gz JNXFYBGBERCRFD-HXUWFJFHSA-N 2 1 345.531 3.379 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CC1 ZINC000969108549 1336146968 /nfs/dbraw/zinc/14/69/68/1336146968.db2.gz FLUCTZNGZSEZEY-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CC1 ZINC000969108549 1336146969 /nfs/dbraw/zinc/14/69/69/1336146969.db2.gz FLUCTZNGZSEZEY-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CC1 ZINC000969108549 1336146970 /nfs/dbraw/zinc/14/69/70/1336146970.db2.gz FLUCTZNGZSEZEY-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP O=C(NC[C@@H]1CCCCC[N@H+]1CC1CCCCC1)C12CC[NH+](CC1)C2 ZINC000969118226 1336150237 /nfs/dbraw/zinc/15/02/37/1336150237.db2.gz IUCNFTSILLDFCB-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCCC2)C1 ZINC000969657239 1336233849 /nfs/dbraw/zinc/23/38/49/1336233849.db2.gz AQXWSPWTHLCGTQ-FXAWDEMLSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC000969675147 1336236032 /nfs/dbraw/zinc/23/60/32/1336236032.db2.gz POZYKSXBHFMEKN-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326355 1336295000 /nfs/dbraw/zinc/29/50/00/1336295000.db2.gz QKUQFGLSZAPWRE-PXNSSMCTSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2=CCCCC2)C1 ZINC000970528730 1336317650 /nfs/dbraw/zinc/31/76/50/1336317650.db2.gz JGKCRAJZCMLAFN-YLJYHZDGSA-N 2 1 347.547 3.186 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cnc(Cl)cc2Br)CC[C@@H]1C[NH3+] ZINC001205638066 1370821963 /nfs/dbraw/zinc/82/19/63/1370821963.db2.gz KWMRHGSIAJYQIW-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cnc(Cl)cc2Br)CC[C@@H]1C[NH3+] ZINC001205638066 1370821969 /nfs/dbraw/zinc/82/19/69/1370821969.db2.gz KWMRHGSIAJYQIW-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001005991524 1336435545 /nfs/dbraw/zinc/43/55/45/1336435545.db2.gz NWENJPIEDPVQFN-ZWKOTPCHSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC[NH+](CC3CCC(C)CC3)CC2)C1 ZINC001005990927 1336435644 /nfs/dbraw/zinc/43/56/44/1336435644.db2.gz JUXGHYLNROWFJZ-JLAWEPINSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001006442586 1336506869 /nfs/dbraw/zinc/50/68/69/1336506869.db2.gz JLEVQNZTCGTCQP-CALCHBBNSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CC3=CCCCC3)C2)C1 ZINC001007495535 1336657493 /nfs/dbraw/zinc/65/74/93/1336657493.db2.gz KXFAFSBUSBQEEF-UXHICEINSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](CC3=CCCCC3)C2)C1 ZINC001007495535 1336657496 /nfs/dbraw/zinc/65/74/96/1336657496.db2.gz KXFAFSBUSBQEEF-UXHICEINSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001007495535 1336657498 /nfs/dbraw/zinc/65/74/98/1336657498.db2.gz KXFAFSBUSBQEEF-UXHICEINSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001007497134 1336657677 /nfs/dbraw/zinc/65/76/77/1336657677.db2.gz AVBFNKQXPYKCAB-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001007497134 1336657678 /nfs/dbraw/zinc/65/76/78/1336657678.db2.gz AVBFNKQXPYKCAB-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001007497134 1336657680 /nfs/dbraw/zinc/65/76/80/1336657680.db2.gz AVBFNKQXPYKCAB-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001007498957 1336658545 /nfs/dbraw/zinc/65/85/45/1336658545.db2.gz MWLDVHPQCOHUKK-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001007498957 1336658547 /nfs/dbraw/zinc/65/85/47/1336658547.db2.gz MWLDVHPQCOHUKK-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001007498957 1336658549 /nfs/dbraw/zinc/65/85/49/1336658549.db2.gz MWLDVHPQCOHUKK-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1c(Br)[nH]c2ccccc21 ZINC001205913104 1370908789 /nfs/dbraw/zinc/90/87/89/1370908789.db2.gz HABQAMVFRLOPDN-NWDGAFQWSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c(Br)[nH]c2ccccc21 ZINC001205913104 1370908791 /nfs/dbraw/zinc/90/87/91/1370908791.db2.gz HABQAMVFRLOPDN-NWDGAFQWSA-N 2 1 336.277 3.490 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2CCCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001007789267 1336700397 /nfs/dbraw/zinc/70/03/97/1336700397.db2.gz SRCAWRHRRYRPMP-IBGZPJMESA-N 2 1 347.547 3.166 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](CC3CCCCC3)C2)C1 ZINC001008281854 1336814146 /nfs/dbraw/zinc/81/41/46/1336814146.db2.gz WXPOBSWHXANLTA-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)C1 ZINC001008281854 1336814148 /nfs/dbraw/zinc/81/41/48/1336814148.db2.gz WXPOBSWHXANLTA-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)C1 ZINC001008281854 1336814151 /nfs/dbraw/zinc/81/41/51/1336814151.db2.gz WXPOBSWHXANLTA-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](CCCC3CCC3)C2)C1 ZINC001008282670 1336814677 /nfs/dbraw/zinc/81/46/77/1336814677.db2.gz YRVJFBPSQAUNKC-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@H+](CCCC3CCC3)C2)C1 ZINC001008282670 1336814679 /nfs/dbraw/zinc/81/46/79/1336814679.db2.gz YRVJFBPSQAUNKC-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@@H+](CCCC3CCC3)C2)C1 ZINC001008282670 1336814681 /nfs/dbraw/zinc/81/46/81/1336814681.db2.gz YRVJFBPSQAUNKC-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001014430067 1337775970 /nfs/dbraw/zinc/77/59/70/1337775970.db2.gz AKCFHRHEULWJQE-HKUYNNGSSA-N 2 1 343.515 3.203 20 0 EGADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1)[NH+]1CCCCC1 ZINC001014446425 1337779213 /nfs/dbraw/zinc/77/92/13/1337779213.db2.gz GBEZMIYUVMVGQV-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001014606602 1337846208 /nfs/dbraw/zinc/84/62/08/1337846208.db2.gz GTBSVYFSIPRBPJ-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001014606602 1337846211 /nfs/dbraw/zinc/84/62/11/1337846211.db2.gz GTBSVYFSIPRBPJ-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001015291387 1338086482 /nfs/dbraw/zinc/08/64/82/1338086482.db2.gz QZXBFCHMVRHTLW-VQIMIIECSA-N 2 1 348.450 3.208 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015392743 1338122305 /nfs/dbraw/zinc/12/23/05/1338122305.db2.gz PLUZAXHKKQNKCT-LJQANCHMSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603732 1338204160 /nfs/dbraw/zinc/20/41/60/1338204160.db2.gz XIPQMYLQRKMPDL-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603732 1338204164 /nfs/dbraw/zinc/20/41/64/1338204164.db2.gz XIPQMYLQRKMPDL-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603732 1338204165 /nfs/dbraw/zinc/20/41/65/1338204165.db2.gz XIPQMYLQRKMPDL-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001015622249 1338210245 /nfs/dbraw/zinc/21/02/45/1338210245.db2.gz DCPUHYIKCWICNL-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001015622249 1338210248 /nfs/dbraw/zinc/21/02/48/1338210248.db2.gz DCPUHYIKCWICNL-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001015710986 1338271367 /nfs/dbraw/zinc/27/13/67/1338271367.db2.gz WTUVPYRNPXHAFL-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001015710986 1338271370 /nfs/dbraw/zinc/27/13/70/1338271370.db2.gz WTUVPYRNPXHAFL-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001015710986 1338271372 /nfs/dbraw/zinc/27/13/72/1338271372.db2.gz WTUVPYRNPXHAFL-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001015782213 1338307015 /nfs/dbraw/zinc/30/70/15/1338307015.db2.gz ZWXRQKNELKKJNK-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001015782213 1338307019 /nfs/dbraw/zinc/30/70/19/1338307019.db2.gz ZWXRQKNELKKJNK-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001015791176 1338312417 /nfs/dbraw/zinc/31/24/17/1338312417.db2.gz BQGUIWVNCBZAPJ-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001015791176 1338312419 /nfs/dbraw/zinc/31/24/19/1338312419.db2.gz BQGUIWVNCBZAPJ-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001015791176 1338312423 /nfs/dbraw/zinc/31/24/23/1338312423.db2.gz BQGUIWVNCBZAPJ-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001015793594 1338313252 /nfs/dbraw/zinc/31/32/52/1338313252.db2.gz AOIHWNKEZMMUSC-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001015793594 1338313254 /nfs/dbraw/zinc/31/32/54/1338313254.db2.gz AOIHWNKEZMMUSC-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001015793594 1338313256 /nfs/dbraw/zinc/31/32/56/1338313256.db2.gz AOIHWNKEZMMUSC-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795764 1338315461 /nfs/dbraw/zinc/31/54/61/1338315461.db2.gz RVSJHCIOHVHRRZ-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCC3CCCCCC3)C2)CC1 ZINC001015900849 1338353559 /nfs/dbraw/zinc/35/35/59/1338353559.db2.gz XCGVZQCOMUEWAV-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CCC(C)(C)C)CC3)CC[N@H+]1C ZINC001016631590 1338669214 /nfs/dbraw/zinc/66/92/14/1338669214.db2.gz WABRABYTMWRCMC-RCCFBDPRSA-N 2 1 349.563 3.124 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCCC1CCC1)CC2 ZINC001016686904 1338689969 /nfs/dbraw/zinc/68/99/69/1338689969.db2.gz DQXUPGQDYDFRIL-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001016787486 1338727632 /nfs/dbraw/zinc/72/76/32/1338727632.db2.gz NKEHVOMRFJXWGK-RTBURBONSA-N 2 1 347.547 3.164 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016924805 1338772055 /nfs/dbraw/zinc/77/20/55/1338772055.db2.gz ZWANMUYTYRFGNM-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@H](C(=O)N1[C@@H]2CC[C@H]1C[N@@H+]([C@@H](CC)c1ccccc1)C2)[NH+](C)C ZINC001017659489 1339385635 /nfs/dbraw/zinc/38/56/35/1339385635.db2.gz UKPYIQKHXCVCTK-ZGXWSNOMSA-N 2 1 343.515 3.153 20 0 EGADMP CC(C)(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001018051362 1339490499 /nfs/dbraw/zinc/49/04/99/1339490499.db2.gz GAIQFBNDGNIUGS-OKYOBFRVSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001018051362 1339490501 /nfs/dbraw/zinc/49/05/01/1339490501.db2.gz GAIQFBNDGNIUGS-OKYOBFRVSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001018051362 1339490514 /nfs/dbraw/zinc/49/05/14/1339490514.db2.gz GAIQFBNDGNIUGS-OKYOBFRVSA-N 2 1 347.547 3.115 20 0 EGADMP CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001018334842 1339581913 /nfs/dbraw/zinc/58/19/13/1339581913.db2.gz OSUKZGKIWNMHMR-CALCHBBNSA-N 2 1 347.503 3.210 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001028105647 1340429653 /nfs/dbraw/zinc/42/96/53/1340429653.db2.gz YKHYBJDRJIZTJA-GOSISDBHSA-N 2 1 345.487 3.036 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001028105647 1340429655 /nfs/dbraw/zinc/42/96/55/1340429655.db2.gz YKHYBJDRJIZTJA-GOSISDBHSA-N 2 1 345.487 3.036 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1=CCCCC1 ZINC001028181017 1340471438 /nfs/dbraw/zinc/47/14/38/1340471438.db2.gz LVUQHUTWTIVAMX-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001028181017 1340471440 /nfs/dbraw/zinc/47/14/40/1340471440.db2.gz LVUQHUTWTIVAMX-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001028181017 1340471441 /nfs/dbraw/zinc/47/14/41/1340471441.db2.gz LVUQHUTWTIVAMX-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028181270 1340471862 /nfs/dbraw/zinc/47/18/62/1340471862.db2.gz PZTJSILZHGNVGY-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001028181270 1340471864 /nfs/dbraw/zinc/47/18/64/1340471864.db2.gz PZTJSILZHGNVGY-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001028181270 1340471866 /nfs/dbraw/zinc/47/18/66/1340471866.db2.gz PZTJSILZHGNVGY-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCC(C)(C)C)CC1 ZINC001028235247 1340497132 /nfs/dbraw/zinc/49/71/32/1340497132.db2.gz SPUSKGXVSUTAEI-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028254406 1340514105 /nfs/dbraw/zinc/51/41/05/1340514105.db2.gz UEQJIXOMBKISJH-FQEVSTJZSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343009 1340582376 /nfs/dbraw/zinc/58/23/76/1340582376.db2.gz KBVBKXCTTVDEKV-DLBZAZTESA-N 2 1 349.519 3.362 20 0 EGADMP O=C(NC[C@@H]1CC[N@@H+](CCC2CC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028755636 1340791636 /nfs/dbraw/zinc/79/16/36/1340791636.db2.gz RDGJESNXGSELHW-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CC[NH+](CCC2CC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028755636 1340791639 /nfs/dbraw/zinc/79/16/39/1340791639.db2.gz RDGJESNXGSELHW-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CC[NH+](CCC2CC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028755636 1340791642 /nfs/dbraw/zinc/79/16/42/1340791642.db2.gz RDGJESNXGSELHW-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001029003252 1340905072 /nfs/dbraw/zinc/90/50/72/1340905072.db2.gz JRSLDZOMJJUCCM-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001029003252 1340905073 /nfs/dbraw/zinc/90/50/73/1340905073.db2.gz JRSLDZOMJJUCCM-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001029003252 1340905076 /nfs/dbraw/zinc/90/50/76/1340905076.db2.gz JRSLDZOMJJUCCM-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001029004398 1340905135 /nfs/dbraw/zinc/90/51/35/1340905135.db2.gz WEKOCVJBLZYLDM-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001029004398 1340905137 /nfs/dbraw/zinc/90/51/37/1340905137.db2.gz WEKOCVJBLZYLDM-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001029004398 1340905138 /nfs/dbraw/zinc/90/51/38/1340905138.db2.gz WEKOCVJBLZYLDM-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001029146283 1340942710 /nfs/dbraw/zinc/94/27/10/1340942710.db2.gz IEMJBTCZZVDZJD-ZWKOTPCHSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1 ZINC001029154793 1340944727 /nfs/dbraw/zinc/94/47/27/1340944727.db2.gz PRZKTMKOZNKLFK-FXAWDEMLSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001029164422 1340946272 /nfs/dbraw/zinc/94/62/72/1340946272.db2.gz JRJOJHUUOIEDTA-PKOBYXMFSA-N 2 1 347.547 3.045 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001029314547 1340970586 /nfs/dbraw/zinc/97/05/86/1340970586.db2.gz YKTOPBBQUBEQQO-KURKYZTESA-N 2 1 346.519 3.118 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001029314547 1340970587 /nfs/dbraw/zinc/97/05/87/1340970587.db2.gz YKTOPBBQUBEQQO-KURKYZTESA-N 2 1 346.519 3.118 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001029344912 1340974680 /nfs/dbraw/zinc/97/46/80/1340974680.db2.gz GDGXRQGVXZPFKQ-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001029344912 1340974681 /nfs/dbraw/zinc/97/46/81/1340974681.db2.gz GDGXRQGVXZPFKQ-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001029344912 1340974682 /nfs/dbraw/zinc/97/46/82/1340974682.db2.gz GDGXRQGVXZPFKQ-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CC(CC)CC)C1 ZINC001029436810 1340990194 /nfs/dbraw/zinc/99/01/94/1340990194.db2.gz HVJWUEQGTCUZSF-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(CC)CC)C1 ZINC001029436810 1340990196 /nfs/dbraw/zinc/99/01/96/1340990196.db2.gz HVJWUEQGTCUZSF-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(CC)CC)C1 ZINC001029436810 1340990198 /nfs/dbraw/zinc/99/01/98/1340990198.db2.gz HVJWUEQGTCUZSF-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1ccccc1)[NH+](C)C ZINC001029458892 1340995017 /nfs/dbraw/zinc/99/50/17/1340995017.db2.gz HGJCHPYLSZRQQJ-RSPOEFSDSA-N 2 1 343.515 3.009 20 0 EGADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccccc1)[NH+](C)C ZINC001029458891 1340995021 /nfs/dbraw/zinc/99/50/21/1340995021.db2.gz HGJCHPYLSZRQQJ-IJXRJRJASA-N 2 1 343.515 3.009 20 0 EGADMP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](CC)c1ccccc1)[NH+](C)C ZINC001029555641 1341011613 /nfs/dbraw/zinc/01/16/13/1341011613.db2.gz DOAGMWSWCDDXRC-IYWMVGAKSA-N 2 1 343.515 3.153 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029738760 1341059550 /nfs/dbraw/zinc/05/95/50/1341059550.db2.gz DCTPMXXEPVZCAX-WOJBJXKFSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001029738760 1341059552 /nfs/dbraw/zinc/05/95/52/1341059552.db2.gz DCTPMXXEPVZCAX-WOJBJXKFSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001029738760 1341059554 /nfs/dbraw/zinc/05/95/54/1341059554.db2.gz DCTPMXXEPVZCAX-WOJBJXKFSA-N 2 1 347.547 3.140 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029750978 1341063543 /nfs/dbraw/zinc/06/35/43/1341063543.db2.gz YIQFBWQUJGULET-INIZCTEOSA-N 2 1 349.544 3.004 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029751631 1341063830 /nfs/dbraw/zinc/06/38/30/1341063830.db2.gz YQDFMWJYPNAXOT-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001029751631 1341063832 /nfs/dbraw/zinc/06/38/32/1341063832.db2.gz YQDFMWJYPNAXOT-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001029751631 1341063834 /nfs/dbraw/zinc/06/38/34/1341063834.db2.gz YQDFMWJYPNAXOT-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](C[NH+](C)CC3CCCCC3)C2)CC[N@H+]1C ZINC001029819624 1341085604 /nfs/dbraw/zinc/08/56/04/1341085604.db2.gz OKMYJBIOUSGOHS-IHPCNDPISA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](C[N@H+](C)CC3CCCCC3)C2)CC[NH+]1C ZINC001029819624 1341085605 /nfs/dbraw/zinc/08/56/05/1341085605.db2.gz OKMYJBIOUSGOHS-IHPCNDPISA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](C[N@@H+](C)CC3CCCCC3)C2)CC[NH+]1C ZINC001029819624 1341085606 /nfs/dbraw/zinc/08/56/06/1341085606.db2.gz OKMYJBIOUSGOHS-IHPCNDPISA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)CC1CCCCCC1 ZINC001029947830 1341130961 /nfs/dbraw/zinc/13/09/61/1341130961.db2.gz YAGUOEBQUNUEMG-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)CC1CCCCCC1 ZINC001029947830 1341130962 /nfs/dbraw/zinc/13/09/62/1341130962.db2.gz YAGUOEBQUNUEMG-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)CC1CCCCCC1 ZINC001029947830 1341130963 /nfs/dbraw/zinc/13/09/63/1341130963.db2.gz YAGUOEBQUNUEMG-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC(C[NH+](C)CC3CCC3)CC2)C1 ZINC001029986901 1341145807 /nfs/dbraw/zinc/14/58/07/1341145807.db2.gz ZKTGKWPNABYSEE-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC(C[N@H+](C)CC3CCC3)CC2)C1 ZINC001029986901 1341145808 /nfs/dbraw/zinc/14/58/08/1341145808.db2.gz ZKTGKWPNABYSEE-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC(C[N@@H+](C)CC3CCC3)CC2)C1 ZINC001029986901 1341145809 /nfs/dbraw/zinc/14/58/09/1341145809.db2.gz ZKTGKWPNABYSEE-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH+](C)CC3CCCC3)CC2)CC[N@H+]1C ZINC001029988592 1341146834 /nfs/dbraw/zinc/14/68/34/1341146834.db2.gz SZVATVBFXKLNNB-PXNSSMCTSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC(C[N@H+](C)CC3CCCC3)CC2)CC[NH+]1C ZINC001029988592 1341146835 /nfs/dbraw/zinc/14/68/35/1341146835.db2.gz SZVATVBFXKLNNB-PXNSSMCTSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC(C[N@@H+](C)CC3CCCC3)CC2)CC[NH+]1C ZINC001029988592 1341146836 /nfs/dbraw/zinc/14/68/36/1341146836.db2.gz SZVATVBFXKLNNB-PXNSSMCTSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001030595094 1341199657 /nfs/dbraw/zinc/19/96/57/1341199657.db2.gz ZSQANSUXTAGTSV-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001030595094 1341199658 /nfs/dbraw/zinc/19/96/58/1341199658.db2.gz ZSQANSUXTAGTSV-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCCCCC2)C1 ZINC001031666528 1341385513 /nfs/dbraw/zinc/38/55/13/1341385513.db2.gz PGWBFUKJEADITC-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCCCCC2)C1 ZINC001031713887 1341392030 /nfs/dbraw/zinc/39/20/30/1341392030.db2.gz HPNMVRFFKCABQQ-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CCCCCC2)C1 ZINC001031806584 1341404247 /nfs/dbraw/zinc/40/42/47/1341404247.db2.gz HOCLVVALRVKATL-HXUWFJFHSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(NCC1C[NH+](CC2CCCC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001031918975 1341421872 /nfs/dbraw/zinc/42/18/72/1341421872.db2.gz ZPMGGCVJAPKYIQ-HXUWFJFHSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031918901 1341421903 /nfs/dbraw/zinc/42/19/03/1341421903.db2.gz VAHZRLDGVMLFSI-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCCC1 ZINC001032478325 1341519829 /nfs/dbraw/zinc/51/98/29/1341519829.db2.gz BHAFFZBYGFHAID-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCCC1 ZINC001032478325 1341519832 /nfs/dbraw/zinc/51/98/32/1341519832.db2.gz BHAFFZBYGFHAID-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCCCC1 ZINC001032478325 1341519833 /nfs/dbraw/zinc/51/98/33/1341519833.db2.gz BHAFFZBYGFHAID-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCCC1)[NH+]1CCCC1 ZINC001032557891 1341539442 /nfs/dbraw/zinc/53/94/42/1341539442.db2.gz VBVKUYKQLVUIEA-OALUTQOASA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCC1 ZINC001032663873 1341575903 /nfs/dbraw/zinc/57/59/03/1341575903.db2.gz HCGKRKYQEOGHFG-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCC1 ZINC001032663873 1341575904 /nfs/dbraw/zinc/57/59/04/1341575904.db2.gz HCGKRKYQEOGHFG-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCC1 ZINC001032663873 1341575906 /nfs/dbraw/zinc/57/59/06/1341575906.db2.gz HCGKRKYQEOGHFG-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001032830282 1341629060 /nfs/dbraw/zinc/62/90/60/1341629060.db2.gz JKNGUGSBDHTHEN-LEAZDLGRSA-N 2 1 343.515 3.059 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001032830282 1341629061 /nfs/dbraw/zinc/62/90/61/1341629061.db2.gz JKNGUGSBDHTHEN-LEAZDLGRSA-N 2 1 343.515 3.059 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001032830282 1341629062 /nfs/dbraw/zinc/62/90/62/1341629062.db2.gz JKNGUGSBDHTHEN-LEAZDLGRSA-N 2 1 343.515 3.059 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033123909 1341732392 /nfs/dbraw/zinc/73/23/92/1341732392.db2.gz UHWBMIOGTYIASB-GDBMZVCRSA-N 2 1 337.533 3.002 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033123909 1341732396 /nfs/dbraw/zinc/73/23/96/1341732396.db2.gz UHWBMIOGTYIASB-GDBMZVCRSA-N 2 1 337.533 3.002 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033125451 1341733381 /nfs/dbraw/zinc/73/33/81/1341733381.db2.gz DYTZKJCITCSSAG-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033125451 1341733383 /nfs/dbraw/zinc/73/33/83/1341733383.db2.gz DYTZKJCITCSSAG-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033125451 1341733386 /nfs/dbraw/zinc/73/33/86/1341733386.db2.gz DYTZKJCITCSSAG-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001033143897 1341738496 /nfs/dbraw/zinc/73/84/96/1341738496.db2.gz NJDJWTCKGFNEIB-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001033143897 1341738497 /nfs/dbraw/zinc/73/84/97/1341738497.db2.gz NJDJWTCKGFNEIB-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001033143897 1341738499 /nfs/dbraw/zinc/73/84/99/1341738499.db2.gz NJDJWTCKGFNEIB-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001033353042 1341793126 /nfs/dbraw/zinc/79/31/26/1341793126.db2.gz CYXKXDDHFOCJGJ-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001033353042 1341793127 /nfs/dbraw/zinc/79/31/27/1341793127.db2.gz CYXKXDDHFOCJGJ-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001033353042 1341793128 /nfs/dbraw/zinc/79/31/28/1341793128.db2.gz CYXKXDDHFOCJGJ-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001033420447 1341821668 /nfs/dbraw/zinc/82/16/68/1341821668.db2.gz OZNHCHZEDBXAEG-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001033420447 1341821669 /nfs/dbraw/zinc/82/16/69/1341821669.db2.gz OZNHCHZEDBXAEG-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001033420447 1341821671 /nfs/dbraw/zinc/82/16/71/1341821671.db2.gz OZNHCHZEDBXAEG-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033472642 1341840347 /nfs/dbraw/zinc/84/03/47/1341840347.db2.gz ZLEACGGHOHRXBN-RTBURBONSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033472642 1341840348 /nfs/dbraw/zinc/84/03/48/1341840348.db2.gz ZLEACGGHOHRXBN-RTBURBONSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033472642 1341840350 /nfs/dbraw/zinc/84/03/50/1341840350.db2.gz ZLEACGGHOHRXBN-RTBURBONSA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001033575359 1341880587 /nfs/dbraw/zinc/88/05/87/1341880587.db2.gz QYECUEUWJZZOMD-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001033575359 1341880588 /nfs/dbraw/zinc/88/05/88/1341880588.db2.gz QYECUEUWJZZOMD-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033575359 1341880590 /nfs/dbraw/zinc/88/05/90/1341880590.db2.gz QYECUEUWJZZOMD-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CCC(C)(C)C)C2)CC[N@H+]1C ZINC001033837439 1342035564 /nfs/dbraw/zinc/03/55/64/1342035564.db2.gz HWJUTEGJAVABEC-OKZBNKHCSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](CCC(C)(C)C)C2)CC[NH+]1C ZINC001033837439 1342035567 /nfs/dbraw/zinc/03/55/67/1342035567.db2.gz HWJUTEGJAVABEC-OKZBNKHCSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](CCC(C)(C)C)C2)CC[NH+]1C ZINC001033837439 1342035569 /nfs/dbraw/zinc/03/55/69/1342035569.db2.gz HWJUTEGJAVABEC-OKZBNKHCSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CCC(C)C)C2)C1 ZINC001033936939 1342099452 /nfs/dbraw/zinc/09/94/52/1342099452.db2.gz ZNBSHTHZZIVCAZ-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](CCC(C)C)C2)C1 ZINC001033936939 1342099456 /nfs/dbraw/zinc/09/94/56/1342099456.db2.gz ZNBSHTHZZIVCAZ-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](CCC(C)C)C2)C1 ZINC001033936939 1342099461 /nfs/dbraw/zinc/09/94/61/1342099461.db2.gz ZNBSHTHZZIVCAZ-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033990212 1342133577 /nfs/dbraw/zinc/13/35/77/1342133577.db2.gz SOUYVPDLDJXJQG-FQEVSTJZSA-N 2 1 345.531 3.331 20 0 EGADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001034040357 1342180453 /nfs/dbraw/zinc/18/04/53/1342180453.db2.gz SSBGCMVBRHAWKT-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001034040357 1342180454 /nfs/dbraw/zinc/18/04/54/1342180454.db2.gz SSBGCMVBRHAWKT-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001034040357 1342180456 /nfs/dbraw/zinc/18/04/56/1342180456.db2.gz SSBGCMVBRHAWKT-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034046131 1342186589 /nfs/dbraw/zinc/18/65/89/1342186589.db2.gz QEZJPHCZOJHJHQ-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034205400 1342316649 /nfs/dbraw/zinc/31/66/49/1342316649.db2.gz WJSDSCYBPMHVNM-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2=CCCCC2)C1 ZINC001034205400 1342316655 /nfs/dbraw/zinc/31/66/55/1342316655.db2.gz WJSDSCYBPMHVNM-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2=CCCCC2)C1 ZINC001034205400 1342316659 /nfs/dbraw/zinc/31/66/59/1342316659.db2.gz WJSDSCYBPMHVNM-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034238482 1342339475 /nfs/dbraw/zinc/33/94/75/1342339475.db2.gz CQMKEOMYQIFZID-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCCC2)C1 ZINC001034238482 1342339478 /nfs/dbraw/zinc/33/94/78/1342339478.db2.gz CQMKEOMYQIFZID-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCCC2)C1 ZINC001034238482 1342339479 /nfs/dbraw/zinc/33/94/79/1342339479.db2.gz CQMKEOMYQIFZID-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC(CC)CC)C1 ZINC001034239204 1342340592 /nfs/dbraw/zinc/34/05/92/1342340592.db2.gz JBAWOOALEWJISB-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC(CC)CC)C1 ZINC001034239204 1342340596 /nfs/dbraw/zinc/34/05/96/1342340596.db2.gz JBAWOOALEWJISB-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC(CC)CC)C1 ZINC001034239204 1342340600 /nfs/dbraw/zinc/34/06/00/1342340600.db2.gz JBAWOOALEWJISB-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034240505 1342340976 /nfs/dbraw/zinc/34/09/76/1342340976.db2.gz QMVSHQJAQJIWDZ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034240505 1342340978 /nfs/dbraw/zinc/34/09/78/1342340978.db2.gz QMVSHQJAQJIWDZ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034240505 1342340981 /nfs/dbraw/zinc/34/09/81/1342340981.db2.gz QMVSHQJAQJIWDZ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc2c[nH+]cn2c1 ZINC001034310099 1342392383 /nfs/dbraw/zinc/39/23/83/1342392383.db2.gz UCCOCJBCGJQBSV-LJQANCHMSA-N 2 1 348.450 3.119 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001034309993 1342392731 /nfs/dbraw/zinc/39/27/31/1342392731.db2.gz RGZAAYIKXHQHJU-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](CC2CC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001034366667 1342436629 /nfs/dbraw/zinc/43/66/29/1342436629.db2.gz CHFMSJLRYIXYPF-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCCC[NH+](CC2CC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001034366667 1342436634 /nfs/dbraw/zinc/43/66/34/1342436634.db2.gz CHFMSJLRYIXYPF-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCCC[NH+](CC2CC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001034366667 1342436638 /nfs/dbraw/zinc/43/66/38/1342436638.db2.gz CHFMSJLRYIXYPF-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034440006 1342501862 /nfs/dbraw/zinc/50/18/62/1342501862.db2.gz YIFVQYCBBXIQLL-MOPGFXCFSA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC)C1 ZINC001034481135 1342538823 /nfs/dbraw/zinc/53/88/23/1342538823.db2.gz QURGPKNVEDEQOW-RTBURBONSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCC)C1 ZINC001034481135 1342538827 /nfs/dbraw/zinc/53/88/27/1342538827.db2.gz QURGPKNVEDEQOW-RTBURBONSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCC)C1 ZINC001034481135 1342538833 /nfs/dbraw/zinc/53/88/33/1342538833.db2.gz QURGPKNVEDEQOW-RTBURBONSA-N 2 1 337.552 3.412 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCCC[N@@H+](CC3CCC3)C2)c1 ZINC001034535162 1342591629 /nfs/dbraw/zinc/59/16/29/1342591629.db2.gz CBJWVHDWHHOXDH-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCC3)CC2)C1 ZINC001034662515 1342677475 /nfs/dbraw/zinc/67/74/75/1342677475.db2.gz NBAHKSNMZBMLCV-VAMGGRTRSA-N 2 1 349.563 3.172 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001034674304 1342685843 /nfs/dbraw/zinc/68/58/43/1342685843.db2.gz LQEJHJZGNGDEAA-UFYCRDLUSA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034683719 1342690736 /nfs/dbraw/zinc/69/07/36/1342690736.db2.gz YZCZIRCQMZMAMF-VAMGGRTRSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001034738850 1342729935 /nfs/dbraw/zinc/72/99/35/1342729935.db2.gz WIYBGWNYEAEHCQ-FRYIKTPZSA-N 2 1 349.563 3.172 20 0 EGADMP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001034753961 1342739341 /nfs/dbraw/zinc/73/93/41/1342739341.db2.gz NMUGWJLUKPEMQU-MUGJNUQGSA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001034935986 1342843618 /nfs/dbraw/zinc/84/36/18/1342843618.db2.gz GASKNIZNEQQFBC-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)C1 ZINC001035023462 1342882049 /nfs/dbraw/zinc/88/20/49/1342882049.db2.gz ZNAOGIONVQNHHX-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC3(CC[NH+](CC(C)C)C3)CC2)C1 ZINC001035215748 1343034596 /nfs/dbraw/zinc/03/45/96/1343034596.db2.gz LBHYIBVCZYMZPO-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC3(CC[N@H+](CC(C)C)C3)CC2)C1 ZINC001035215748 1343034598 /nfs/dbraw/zinc/03/45/98/1343034598.db2.gz LBHYIBVCZYMZPO-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC3(CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC001035215748 1343034603 /nfs/dbraw/zinc/03/46/03/1343034603.db2.gz LBHYIBVCZYMZPO-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035236904 1343060455 /nfs/dbraw/zinc/06/04/55/1343060455.db2.gz FBWIBPXNEULDRD-RBUKOAKNSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035236904 1343060458 /nfs/dbraw/zinc/06/04/58/1343060458.db2.gz FBWIBPXNEULDRD-RBUKOAKNSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035236904 1343060463 /nfs/dbraw/zinc/06/04/63/1343060463.db2.gz FBWIBPXNEULDRD-RBUKOAKNSA-N 2 1 347.547 3.118 20 0 EGADMP C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001036556725 1343552457 /nfs/dbraw/zinc/55/24/57/1343552457.db2.gz QQDQVAYEZPLZPI-QFBILLFUSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820703 1343758938 /nfs/dbraw/zinc/75/89/38/1343758938.db2.gz NEXUYEYATCFJSN-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820703 1343758946 /nfs/dbraw/zinc/75/89/46/1343758946.db2.gz NEXUYEYATCFJSN-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820703 1343758949 /nfs/dbraw/zinc/75/89/49/1343758949.db2.gz NEXUYEYATCFJSN-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001037856948 1344142674 /nfs/dbraw/zinc/14/26/74/1344142674.db2.gz AQOMHWBEJCHQSB-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001037858087 1344143695 /nfs/dbraw/zinc/14/36/95/1344143695.db2.gz DRVCQXUPQWGLMW-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001038241926 1344338820 /nfs/dbraw/zinc/33/88/20/1344338820.db2.gz XFPJCVXQKXHILJ-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001038241926 1344338823 /nfs/dbraw/zinc/33/88/23/1344338823.db2.gz XFPJCVXQKXHILJ-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCC2(CC2)CC1 ZINC001038241926 1344338827 /nfs/dbraw/zinc/33/88/27/1344338827.db2.gz XFPJCVXQKXHILJ-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248088 1344342739 /nfs/dbraw/zinc/34/27/39/1344342739.db2.gz LUXMXLXVAWKLBB-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248088 1344342743 /nfs/dbraw/zinc/34/27/43/1344342743.db2.gz LUXMXLXVAWKLBB-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248088 1344342748 /nfs/dbraw/zinc/34/27/48/1344342748.db2.gz LUXMXLXVAWKLBB-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001038329386 1344381907 /nfs/dbraw/zinc/38/19/07/1344381907.db2.gz PVILKIMKHZECJH-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001038329386 1344381908 /nfs/dbraw/zinc/38/19/08/1344381908.db2.gz PVILKIMKHZECJH-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCC2(CC2)CC1 ZINC001038329386 1344381909 /nfs/dbraw/zinc/38/19/09/1344381909.db2.gz PVILKIMKHZECJH-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CC2CCCCCC2)C1 ZINC001038341237 1344386409 /nfs/dbraw/zinc/38/64/09/1344386409.db2.gz QFUSTAJDOVLRLX-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CC2CCCCCC2)C1 ZINC001038341237 1344386414 /nfs/dbraw/zinc/38/64/14/1344386414.db2.gz QFUSTAJDOVLRLX-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CC2CCCCCC2)C1 ZINC001038341237 1344386416 /nfs/dbraw/zinc/38/64/16/1344386416.db2.gz QFUSTAJDOVLRLX-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCC1 ZINC001038782473 1344582442 /nfs/dbraw/zinc/58/24/42/1344582442.db2.gz UASUQPDSCXBDQM-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC001038782473 1344582448 /nfs/dbraw/zinc/58/24/48/1344582448.db2.gz UASUQPDSCXBDQM-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001038782473 1344582450 /nfs/dbraw/zinc/58/24/50/1344582450.db2.gz UASUQPDSCXBDQM-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001039046821 1344733537 /nfs/dbraw/zinc/73/35/37/1344733537.db2.gz BUVLVJUABXIOAD-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001039046821 1344733539 /nfs/dbraw/zinc/73/35/39/1344733539.db2.gz BUVLVJUABXIOAD-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCC2(CC2)CC1 ZINC001039046821 1344733543 /nfs/dbraw/zinc/73/35/43/1344733543.db2.gz BUVLVJUABXIOAD-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2CCC(C)(C)C)o1 ZINC001039071535 1344753853 /nfs/dbraw/zinc/75/38/53/1344753853.db2.gz ANXXNZSONDOPBG-MRXNPFEDSA-N 2 1 349.519 3.362 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CCC(C)(C)C)C2)CC1 ZINC001039126462 1344802701 /nfs/dbraw/zinc/80/27/01/1344802701.db2.gz LGYONCMXMPPBGV-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001039126462 1344802705 /nfs/dbraw/zinc/80/27/05/1344802705.db2.gz LGYONCMXMPPBGV-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001039126462 1344802708 /nfs/dbraw/zinc/80/27/08/1344802708.db2.gz LGYONCMXMPPBGV-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC2)C1 ZINC001039139005 1344819438 /nfs/dbraw/zinc/81/94/38/1344819438.db2.gz FJFKNAVQKPAFTN-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CC[C@H](C2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC2)C1 ZINC001039139005 1344819442 /nfs/dbraw/zinc/81/94/42/1344819442.db2.gz FJFKNAVQKPAFTN-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CC[C@H](C2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC2)C1 ZINC001039139005 1344819444 /nfs/dbraw/zinc/81/94/44/1344819444.db2.gz FJFKNAVQKPAFTN-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039166475 1344851835 /nfs/dbraw/zinc/85/18/35/1344851835.db2.gz ZAZOWBFRYWBGSZ-AZUAARDMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039166475 1344851840 /nfs/dbraw/zinc/85/18/40/1344851840.db2.gz ZAZOWBFRYWBGSZ-AZUAARDMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039166475 1344851844 /nfs/dbraw/zinc/85/18/44/1344851844.db2.gz ZAZOWBFRYWBGSZ-AZUAARDMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039227352 1344945948 /nfs/dbraw/zinc/94/59/48/1344945948.db2.gz CNDKOZKHKAFRLS-QFBILLFUSA-N 2 1 340.471 3.059 20 0 EGADMP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001039289335 1344998425 /nfs/dbraw/zinc/99/84/25/1344998425.db2.gz RCAKQCHREYAVOQ-SEBOWIOWSA-N 2 1 349.563 3.407 20 0 EGADMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001039301412 1345003533 /nfs/dbraw/zinc/00/35/33/1345003533.db2.gz IHIANIRZIFHEGU-IPQPSQTFSA-N 2 1 335.536 3.161 20 0 EGADMP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001039301654 1345004186 /nfs/dbraw/zinc/00/41/86/1345004186.db2.gz LJNURNDQALCIGO-IPQPSQTFSA-N 2 1 335.536 3.159 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001039399553 1345046240 /nfs/dbraw/zinc/04/62/40/1345046240.db2.gz GIGDZDRGDJQGPB-MOPGFXCFSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001039422926 1345061109 /nfs/dbraw/zinc/06/11/09/1345061109.db2.gz SYNXTGWBKUXSBQ-HSALFYBXSA-N 2 1 347.547 3.257 20 0 EGADMP CC(C)[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001039422926 1345061113 /nfs/dbraw/zinc/06/11/13/1345061113.db2.gz SYNXTGWBKUXSBQ-HSALFYBXSA-N 2 1 347.547 3.257 20 0 EGADMP CC(C)[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001039422926 1345061115 /nfs/dbraw/zinc/06/11/15/1345061115.db2.gz SYNXTGWBKUXSBQ-HSALFYBXSA-N 2 1 347.547 3.257 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001039652649 1345153578 /nfs/dbraw/zinc/15/35/78/1345153578.db2.gz ITTJGCAMWIYINB-QRVBRYPASA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001039652649 1345153580 /nfs/dbraw/zinc/15/35/80/1345153580.db2.gz ITTJGCAMWIYINB-QRVBRYPASA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001039652649 1345153584 /nfs/dbraw/zinc/15/35/84/1345153584.db2.gz ITTJGCAMWIYINB-QRVBRYPASA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1=CCCCC1)[NH+](C)C ZINC001039900295 1345240750 /nfs/dbraw/zinc/24/07/50/1345240750.db2.gz RTGHXNYAZGTVKI-HSALFYBXSA-N 2 1 347.547 3.138 20 0 EGADMP CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001040240890 1345391483 /nfs/dbraw/zinc/39/14/83/1345391483.db2.gz KRJONPQDRIIJNX-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001040240890 1345391488 /nfs/dbraw/zinc/39/14/88/1345391488.db2.gz KRJONPQDRIIJNX-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001040240890 1345391492 /nfs/dbraw/zinc/39/14/92/1345391492.db2.gz KRJONPQDRIIJNX-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC(C)(C)C)C2)[NH+](C)C ZINC001040261339 1345400617 /nfs/dbraw/zinc/40/06/17/1345400617.db2.gz MRKNLXXSDFIVDX-YLJYHZDGSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CC(C)C)C3)C1 ZINC001040346334 1345445073 /nfs/dbraw/zinc/44/50/73/1345445073.db2.gz BQSOHOOMWVIWDA-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](CC(C)C)C3)C1 ZINC001040346334 1345445075 /nfs/dbraw/zinc/44/50/75/1345445075.db2.gz BQSOHOOMWVIWDA-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC(C)C)C3)C1 ZINC001040346334 1345445078 /nfs/dbraw/zinc/44/50/78/1345445078.db2.gz BQSOHOOMWVIWDA-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001040708016 1345568052 /nfs/dbraw/zinc/56/80/52/1345568052.db2.gz NVCXMFSBLTYNBF-CEXWTWQISA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)CC1 ZINC001040744954 1345573270 /nfs/dbraw/zinc/57/32/70/1345573270.db2.gz FPBNOABKBDIBTA-OALUTQOASA-N 2 1 347.547 3.118 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001040747308 1345573688 /nfs/dbraw/zinc/57/36/88/1345573688.db2.gz NQMDVQIUYXIGFW-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[NH+](CC(CC)CC)C2)C1 ZINC001041342727 1345706372 /nfs/dbraw/zinc/70/63/72/1345706372.db2.gz GBYSTLBQTHCNBA-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](CC(CC)CC)C2)C1 ZINC001041342727 1345706375 /nfs/dbraw/zinc/70/63/75/1345706375.db2.gz GBYSTLBQTHCNBA-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC(CC)CC)C2)C1 ZINC001041342727 1345706377 /nfs/dbraw/zinc/70/63/77/1345706377.db2.gz GBYSTLBQTHCNBA-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041373396 1345711661 /nfs/dbraw/zinc/71/16/61/1345711661.db2.gz UQWXLEQHKMBIQH-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041373396 1345711665 /nfs/dbraw/zinc/71/16/65/1345711665.db2.gz UQWXLEQHKMBIQH-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001041373396 1345711669 /nfs/dbraw/zinc/71/16/69/1345711669.db2.gz UQWXLEQHKMBIQH-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CCCC3CCCC3)C2)C1)[NH+](C)C ZINC001041694854 1345821050 /nfs/dbraw/zinc/82/10/50/1345821050.db2.gz ZYBREJZFPAWWLT-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041845225 1345871644 /nfs/dbraw/zinc/87/16/44/1345871644.db2.gz VPBFIXJCUUKFDT-NRFANRHFSA-N 2 1 343.515 3.086 20 0 EGADMP CC1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](CCC(C)(C)C)[C@H]3C2)CC1 ZINC001042287130 1346017666 /nfs/dbraw/zinc/01/76/66/1346017666.db2.gz GDTWYNIJWDDFMO-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC[NH+](CC(=O)N(C)C2C[NH+](CC[C@H]3CCC[C@H](C)C3)C2)CC1 ZINC001044086184 1346245076 /nfs/dbraw/zinc/24/50/76/1346245076.db2.gz PFCQIJXGKLCIAF-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H]([NH2+]CC2CCC2)C[C@@H]1C ZINC001044766757 1346424113 /nfs/dbraw/zinc/42/41/13/1346424113.db2.gz LTRWUYHUKWOXPW-FUHWJXTLSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001045438397 1346594016 /nfs/dbraw/zinc/59/40/16/1346594016.db2.gz SCOKCEWYEYHQCZ-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](CC3=CCCCC3)CC2)CC[N@H+]1C ZINC001045440656 1346594642 /nfs/dbraw/zinc/59/46/42/1346594642.db2.gz NAKBFOUHXFSRIQ-RBUKOAKNSA-N 2 1 347.547 3.188 20 0 EGADMP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001045475519 1346603216 /nfs/dbraw/zinc/60/32/16/1346603216.db2.gz JZSFZCIPCRVEQW-OALUTQOASA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC2(C)CC[NH+](CCC(C)(C)C)CC2)CC[N@H+]1C ZINC001045535026 1346620426 /nfs/dbraw/zinc/62/04/26/1346620426.db2.gz RQUIXDXMQMWPPX-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1)[NH+](C)C ZINC001045849557 1346720023 /nfs/dbraw/zinc/72/00/23/1346720023.db2.gz OHESOEFGRPJTMM-AABGKKOBSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC ZINC001045876648 1346728767 /nfs/dbraw/zinc/72/87/67/1346728767.db2.gz UUZZPJZHHAIHQY-QYZOEREBSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC ZINC001045876648 1346728770 /nfs/dbraw/zinc/72/87/70/1346728770.db2.gz UUZZPJZHHAIHQY-QYZOEREBSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC ZINC001045876648 1346728772 /nfs/dbraw/zinc/72/87/72/1346728772.db2.gz UUZZPJZHHAIHQY-QYZOEREBSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001045943730 1346779018 /nfs/dbraw/zinc/77/90/18/1346779018.db2.gz NKMCVCPUZMXINT-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001045943730 1346779019 /nfs/dbraw/zinc/77/90/19/1346779019.db2.gz NKMCVCPUZMXINT-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001045943730 1346779021 /nfs/dbraw/zinc/77/90/21/1346779021.db2.gz NKMCVCPUZMXINT-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001045986146 1346826904 /nfs/dbraw/zinc/82/69/04/1346826904.db2.gz HYYXKQPXDQWIQW-OAQYLSRUSA-N 2 1 343.515 3.086 20 0 EGADMP C[C@@]1(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+](CC2CCC2)C1 ZINC001046317011 1346932525 /nfs/dbraw/zinc/93/25/25/1346932525.db2.gz DGLCBAIBXTVIRW-WIYYLYMNSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@]1(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+](CC2CCC2)C1 ZINC001046317011 1346932528 /nfs/dbraw/zinc/93/25/28/1346932528.db2.gz DGLCBAIBXTVIRW-WIYYLYMNSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@]1(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](CC2CCC2)C1 ZINC001046317011 1346932529 /nfs/dbraw/zinc/93/25/29/1346932529.db2.gz DGLCBAIBXTVIRW-WIYYLYMNSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@]1(NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+](CC2CCCCC2)C1 ZINC001046487214 1346992346 /nfs/dbraw/zinc/99/23/46/1346992346.db2.gz RHPMPENYRMMJAC-FQEVSTJZSA-N 2 1 340.471 3.109 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001046561948 1347018184 /nfs/dbraw/zinc/01/81/84/1347018184.db2.gz JYCMGIBOPRLRIV-NQIIRXRSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001046561948 1347018186 /nfs/dbraw/zinc/01/81/86/1347018186.db2.gz JYCMGIBOPRLRIV-NQIIRXRSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001046561948 1347018188 /nfs/dbraw/zinc/01/81/88/1347018188.db2.gz JYCMGIBOPRLRIV-NQIIRXRSSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046863612 1347136090 /nfs/dbraw/zinc/13/60/90/1347136090.db2.gz DZSAGIMOUANOEK-IBGZPJMESA-N 2 1 335.492 3.116 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046863716 1347136755 /nfs/dbraw/zinc/13/67/55/1347136755.db2.gz HFOBXZIVIDDOMI-OXJNMPFZSA-N 2 1 349.519 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](C3CC[NH+](CC)CC3)C2)C1 ZINC001047248600 1347273547 /nfs/dbraw/zinc/27/35/47/1347273547.db2.gz NGGBKSBRQXBBBL-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001047257171 1347280208 /nfs/dbraw/zinc/28/02/08/1347280208.db2.gz PFZQDCFRHVJQNQ-AZUAARDMSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001048526007 1347578119 /nfs/dbraw/zinc/57/81/19/1347578119.db2.gz IOOBVKJPBCEQSO-YRPNKDGESA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001048526007 1347578121 /nfs/dbraw/zinc/57/81/21/1347578121.db2.gz IOOBVKJPBCEQSO-YRPNKDGESA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001048526007 1347578124 /nfs/dbraw/zinc/57/81/24/1347578124.db2.gz IOOBVKJPBCEQSO-YRPNKDGESA-N 2 1 349.563 3.265 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)CC[N@H+]1C ZINC001048527853 1347578792 /nfs/dbraw/zinc/57/87/92/1347578792.db2.gz ODLAJDAGGYGKDH-UJWQCDCRSA-N 2 1 349.563 3.122 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001048527853 1347578794 /nfs/dbraw/zinc/57/87/94/1347578794.db2.gz ODLAJDAGGYGKDH-UJWQCDCRSA-N 2 1 349.563 3.122 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001048527853 1347578799 /nfs/dbraw/zinc/57/87/99/1347578799.db2.gz ODLAJDAGGYGKDH-UJWQCDCRSA-N 2 1 349.563 3.122 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC)CC1 ZINC001048622942 1347622385 /nfs/dbraw/zinc/62/23/85/1347622385.db2.gz MGBAGZRDEQSREY-GUDVDZBRSA-N 2 1 337.552 3.173 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048860820 1347672496 /nfs/dbraw/zinc/67/24/96/1347672496.db2.gz DELATNKIGWNBPU-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048860820 1347672497 /nfs/dbraw/zinc/67/24/97/1347672497.db2.gz DELATNKIGWNBPU-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001048860820 1347672501 /nfs/dbraw/zinc/67/25/01/1347672501.db2.gz DELATNKIGWNBPU-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC(CC)CC ZINC001049508578 1347884499 /nfs/dbraw/zinc/88/44/99/1347884499.db2.gz QIGFAAHFBLCRER-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(CC)CC ZINC001049508578 1347884503 /nfs/dbraw/zinc/88/45/03/1347884503.db2.gz QIGFAAHFBLCRER-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(CC)CC ZINC001049508578 1347884506 /nfs/dbraw/zinc/88/45/06/1347884506.db2.gz QIGFAAHFBLCRER-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1=CCCCC1)C1CCC1 ZINC001049514510 1347886884 /nfs/dbraw/zinc/88/68/84/1347886884.db2.gz GHMQNPCKMALMHD-UXHICEINSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1=CCCCC1)C1CCC1 ZINC001049514510 1347886889 /nfs/dbraw/zinc/88/68/89/1347886889.db2.gz GHMQNPCKMALMHD-UXHICEINSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1=CCCCC1)C1CCC1 ZINC001049514510 1347886893 /nfs/dbraw/zinc/88/68/93/1347886893.db2.gz GHMQNPCKMALMHD-UXHICEINSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCC2CCCC2)CCC1 ZINC001049517669 1347888439 /nfs/dbraw/zinc/88/84/39/1347888439.db2.gz LUQXJRAXESVTFW-RBUKOAKNSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049519712 1347889028 /nfs/dbraw/zinc/88/90/28/1347889028.db2.gz ASHROUMEYGHLQA-CEXWTWQISA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001049519712 1347889030 /nfs/dbraw/zinc/88/90/30/1347889030.db2.gz ASHROUMEYGHLQA-CEXWTWQISA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001049519712 1347889032 /nfs/dbraw/zinc/88/90/32/1347889032.db2.gz ASHROUMEYGHLQA-CEXWTWQISA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049519718 1347889395 /nfs/dbraw/zinc/88/93/95/1347889395.db2.gz ASHROUMEYGHLQA-GUDVDZBRSA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001049519718 1347889399 /nfs/dbraw/zinc/88/93/99/1347889399.db2.gz ASHROUMEYGHLQA-GUDVDZBRSA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001049519718 1347889401 /nfs/dbraw/zinc/88/94/01/1347889401.db2.gz ASHROUMEYGHLQA-GUDVDZBRSA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049520213 1347889433 /nfs/dbraw/zinc/88/94/33/1347889433.db2.gz CCMDXZDYHQSVTG-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001049520213 1347889438 /nfs/dbraw/zinc/88/94/38/1347889438.db2.gz CCMDXZDYHQSVTG-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001049520213 1347889440 /nfs/dbraw/zinc/88/94/40/1347889440.db2.gz CCMDXZDYHQSVTG-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049566297 1347913523 /nfs/dbraw/zinc/91/35/23/1347913523.db2.gz BLAGJSFLKXRGDE-RTBURBONSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568434 1347914685 /nfs/dbraw/zinc/91/46/85/1347914685.db2.gz UETPNMPZMWHQGV-ROUUACIJSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC1CCCC1)[NH+](C)C ZINC001049727884 1347991435 /nfs/dbraw/zinc/99/14/35/1347991435.db2.gz MGZCHXLQQPOFGR-ZCNNSNEGSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049768392 1348011145 /nfs/dbraw/zinc/01/11/45/1348011145.db2.gz WCRSKUATQBTIRQ-IPMKNSEASA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001049768392 1348011147 /nfs/dbraw/zinc/01/11/47/1348011147.db2.gz WCRSKUATQBTIRQ-IPMKNSEASA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001049768392 1348011149 /nfs/dbraw/zinc/01/11/49/1348011149.db2.gz WCRSKUATQBTIRQ-IPMKNSEASA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049819688 1348036894 /nfs/dbraw/zinc/03/68/94/1348036894.db2.gz GVOGTXLFUIVOMZ-UXHICEINSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049914011 1348109197 /nfs/dbraw/zinc/10/91/97/1348109197.db2.gz LHGNLCCGWVEYHW-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]([NH2+]CC1CCCC1)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001050257505 1348220727 /nfs/dbraw/zinc/22/07/27/1348220727.db2.gz IYMQIRPVOUELPE-UZLBHIALSA-N 2 1 343.515 3.238 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001050577468 1348292954 /nfs/dbraw/zinc/29/29/54/1348292954.db2.gz QUZBEJXUYHOLFW-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052380700 1348536726 /nfs/dbraw/zinc/53/67/26/1348536726.db2.gz DNVFFVROJXILFR-RTBURBONSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052380700 1348536729 /nfs/dbraw/zinc/53/67/29/1348536729.db2.gz DNVFFVROJXILFR-RTBURBONSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052380700 1348536730 /nfs/dbraw/zinc/53/67/30/1348536730.db2.gz DNVFFVROJXILFR-RTBURBONSA-N 2 1 349.563 3.412 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC001052486352 1348553813 /nfs/dbraw/zinc/55/38/13/1348553813.db2.gz LFVJCQNRNINZBO-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052652183 1348614268 /nfs/dbraw/zinc/61/42/68/1348614268.db2.gz UTKIYQQJAVVJKJ-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052652183 1348614270 /nfs/dbraw/zinc/61/42/70/1348614270.db2.gz UTKIYQQJAVVJKJ-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052652183 1348614272 /nfs/dbraw/zinc/61/42/72/1348614272.db2.gz UTKIYQQJAVVJKJ-ICSRJNTNSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CCC3CCCC3)CC2)CC[N@H+]1C ZINC001052658411 1348616970 /nfs/dbraw/zinc/61/69/70/1348616970.db2.gz NCIVMFJGXOEJOD-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCC3CCCC3)CC2)CC[NH+]1C ZINC001052658411 1348616972 /nfs/dbraw/zinc/61/69/72/1348616972.db2.gz NCIVMFJGXOEJOD-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCC3CCCC3)CC2)CC[NH+]1C ZINC001052658411 1348616974 /nfs/dbraw/zinc/61/69/74/1348616974.db2.gz NCIVMFJGXOEJOD-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC3=CCCCC3)CC2)CC1 ZINC001052680780 1348627950 /nfs/dbraw/zinc/62/79/50/1348627950.db2.gz UGIJSZPDFGBLQB-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680748 1348628397 /nfs/dbraw/zinc/62/83/97/1348628397.db2.gz SQCGDGKRJQFLOS-XLIONFOSSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC001052713452 1348645404 /nfs/dbraw/zinc/64/54/04/1348645404.db2.gz XNRBFJPHAULENL-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC001052713452 1348645408 /nfs/dbraw/zinc/64/54/08/1348645408.db2.gz XNRBFJPHAULENL-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001052713452 1348645409 /nfs/dbraw/zinc/64/54/09/1348645409.db2.gz XNRBFJPHAULENL-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC001052765420 1348670011 /nfs/dbraw/zinc/67/00/11/1348670011.db2.gz ZEIPCTFFJGIFOW-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@@H+](CCCC3CCC3)CC2)CC1 ZINC001052766396 1348670904 /nfs/dbraw/zinc/67/09/04/1348670904.db2.gz BUYLXUYIABGNJC-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052955578 1348769530 /nfs/dbraw/zinc/76/95/30/1348769530.db2.gz HPLMZCNCXQHXPE-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC001052955578 1348769533 /nfs/dbraw/zinc/76/95/33/1348769533.db2.gz HPLMZCNCXQHXPE-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001052955578 1348769538 /nfs/dbraw/zinc/76/95/38/1348769538.db2.gz HPLMZCNCXQHXPE-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC(CC)CC)CC1 ZINC001052985425 1348788289 /nfs/dbraw/zinc/78/82/89/1348788289.db2.gz MSLJFPMAZWMRHZ-BGYRXZFFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096765 1348926521 /nfs/dbraw/zinc/92/65/21/1348926521.db2.gz ZIOSRBXUDIDRDG-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053096921 1348927412 /nfs/dbraw/zinc/92/74/12/1348927412.db2.gz BHSIGCXJUSGPRT-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001053096921 1348927414 /nfs/dbraw/zinc/92/74/14/1348927414.db2.gz BHSIGCXJUSGPRT-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001053096921 1348927418 /nfs/dbraw/zinc/92/74/18/1348927418.db2.gz BHSIGCXJUSGPRT-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053100201 1348933318 /nfs/dbraw/zinc/93/33/18/1348933318.db2.gz FERYQIJPRNDKTK-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053100941 1348934596 /nfs/dbraw/zinc/93/45/96/1348934596.db2.gz JXYCLWVLNWBVAR-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053105071 1348940890 /nfs/dbraw/zinc/94/08/90/1348940890.db2.gz LGICKFMARJMIEQ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1)[NH+](C)C ZINC001054154151 1349157439 /nfs/dbraw/zinc/15/74/39/1349157439.db2.gz QEGVNXCLEDXCHP-YLJYHZDGSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001054243786 1349238134 /nfs/dbraw/zinc/23/81/34/1349238134.db2.gz OBYLUMMBMOKLBG-OAQYLSRUSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245351 1349239171 /nfs/dbraw/zinc/23/91/71/1349239171.db2.gz SFDLFLZCKAXSGU-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3CC)cc2C1 ZINC001054292661 1349297815 /nfs/dbraw/zinc/29/78/15/1349297815.db2.gz QQAYGLPFPVYSIW-FQEVSTJZSA-N 2 1 343.515 3.293 20 0 EGADMP CCCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)cc2C1 ZINC001054292661 1349297820 /nfs/dbraw/zinc/29/78/20/1349297820.db2.gz QQAYGLPFPVYSIW-FQEVSTJZSA-N 2 1 343.515 3.293 20 0 EGADMP CCCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3CC)cc2C1 ZINC001054292661 1349297824 /nfs/dbraw/zinc/29/78/24/1349297824.db2.gz QQAYGLPFPVYSIW-FQEVSTJZSA-N 2 1 343.515 3.293 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001080624070 1357705019 /nfs/dbraw/zinc/70/50/19/1357705019.db2.gz QOUSZCHICFHBGP-OXQOHEQNSA-N 2 1 345.531 3.235 20 0 EGADMP CCCC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071627372 1354811743 /nfs/dbraw/zinc/81/17/43/1354811743.db2.gz DRZUGJJJJRHDON-GOEBONIOSA-N 2 1 328.460 3.026 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001071646446 1354823856 /nfs/dbraw/zinc/82/38/56/1354823856.db2.gz YLKVCPILPVMLOH-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CCC(C)(C)C ZINC001071739326 1354889360 /nfs/dbraw/zinc/88/93/60/1354889360.db2.gz QVNIWEQKLTUWLC-SJORKVTESA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CC1CC(C)(C)C1 ZINC001071819239 1354959980 /nfs/dbraw/zinc/95/99/80/1354959980.db2.gz STWMTKMHVOKKMD-AEFFLSMTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CC1CC(C)(C)C1 ZINC001071819239 1354959981 /nfs/dbraw/zinc/95/99/81/1354959981.db2.gz STWMTKMHVOKKMD-AEFFLSMTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CC1CC(C)(C)C1 ZINC001071819239 1354959982 /nfs/dbraw/zinc/95/99/82/1354959982.db2.gz STWMTKMHVOKKMD-AEFFLSMTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CC1CCCCCC1 ZINC001072081003 1355118610 /nfs/dbraw/zinc/11/86/10/1355118610.db2.gz FJVLRIARTWDIDL-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CCC1CCCCCC1 ZINC001072082379 1355119244 /nfs/dbraw/zinc/11/92/44/1355119244.db2.gz ZCPPPUSFZNWZPN-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001183228451 1387282704 /nfs/dbraw/zinc/28/27/04/1387282704.db2.gz IMEJJZJFELNGBE-UQKJKQERSA-N 2 1 337.552 3.149 20 0 EGADMP C[N@@H+](C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C)CC1CCCCCC1 ZINC001073970451 1356004085 /nfs/dbraw/zinc/00/40/85/1356004085.db2.gz OZFBYNCXSBCFNQ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C)CC1CCCCCC1 ZINC001073970451 1356004086 /nfs/dbraw/zinc/00/40/86/1356004086.db2.gz OZFBYNCXSBCFNQ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C)CC1CCCCCC1 ZINC001073970451 1356004087 /nfs/dbraw/zinc/00/40/87/1356004087.db2.gz OZFBYNCXSBCFNQ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCCC1 ZINC001074099791 1356083359 /nfs/dbraw/zinc/08/33/59/1356083359.db2.gz BJCAMCUSKJPGIQ-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCCC1 ZINC001074099791 1356083361 /nfs/dbraw/zinc/08/33/61/1356083361.db2.gz BJCAMCUSKJPGIQ-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CC2)c1 ZINC001074100878 1356084469 /nfs/dbraw/zinc/08/44/69/1356084469.db2.gz BNRCGDRFTZGPOK-HXUWFJFHSA-N 2 1 343.515 3.085 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001074811712 1356250393 /nfs/dbraw/zinc/25/03/93/1356250393.db2.gz BXAIPAOTIAIDMX-WDSOQIARSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CCC3CCCCCC3)[C@@H]2C)C1 ZINC001074878106 1356276890 /nfs/dbraw/zinc/27/68/90/1356276890.db2.gz ALYSDKIHEVTGBL-HBFSDRIKSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099107353 1363625905 /nfs/dbraw/zinc/62/59/05/1363625905.db2.gz YAZIVKGOTIHDEX-QGZVFWFLSA-N 2 1 335.536 3.044 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001082943720 1358106932 /nfs/dbraw/zinc/10/69/32/1358106932.db2.gz YOILOXPFGMXTPB-RLLQIKCJSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(CC)CC)C[C@H]32)C1 ZINC001084598832 1358253665 /nfs/dbraw/zinc/25/36/65/1358253665.db2.gz HUCKVRCTRIRZLQ-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(CC)CC)C[C@H]32)C1 ZINC001084598832 1358253669 /nfs/dbraw/zinc/25/36/69/1358253669.db2.gz HUCKVRCTRIRZLQ-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(CC)CC)C[C@H]32)C1 ZINC001084598832 1358253675 /nfs/dbraw/zinc/25/36/75/1358253675.db2.gz HUCKVRCTRIRZLQ-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCC3CCCCC3)[C@H]2C1)[NH+](C)C ZINC001084970458 1358356290 /nfs/dbraw/zinc/35/62/90/1358356290.db2.gz GVPWJMWKJIYJBD-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001085196559 1358430751 /nfs/dbraw/zinc/43/07/51/1358430751.db2.gz DRTILCHGXQNTGL-VAMGGRTRSA-N 2 1 349.563 3.457 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001085245666 1358442915 /nfs/dbraw/zinc/44/29/15/1358442915.db2.gz HDPJZMLDZHGUSC-QRVBRYPASA-N 2 1 335.536 3.068 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001085245655 1358443046 /nfs/dbraw/zinc/44/30/46/1358443046.db2.gz GWETVHVSHAQTRE-QRVBRYPASA-N 2 1 347.547 3.068 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001085332139 1358469923 /nfs/dbraw/zinc/46/99/23/1358469923.db2.gz LTQCYYVURZQXQE-QXAKKESOSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)C1 ZINC001085350638 1358476111 /nfs/dbraw/zinc/47/61/11/1358476111.db2.gz QPYICIGVSKUKEF-OPQOLIRYSA-N 2 1 346.519 3.070 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001085593140 1358620711 /nfs/dbraw/zinc/62/07/11/1358620711.db2.gz CGFQPSMYLIMFHG-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001085593140 1358620717 /nfs/dbraw/zinc/62/07/17/1358620717.db2.gz CGFQPSMYLIMFHG-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001085593140 1358620729 /nfs/dbraw/zinc/62/07/29/1358620729.db2.gz CGFQPSMYLIMFHG-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085597765 1358624337 /nfs/dbraw/zinc/62/43/37/1358624337.db2.gz FSQQOKNGEDOJDQ-ICSRJNTNSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085597765 1358624340 /nfs/dbraw/zinc/62/43/40/1358624340.db2.gz FSQQOKNGEDOJDQ-ICSRJNTNSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085597765 1358624343 /nfs/dbraw/zinc/62/43/43/1358624343.db2.gz FSQQOKNGEDOJDQ-ICSRJNTNSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCC2CCCC2)C1 ZINC001085639487 1358652541 /nfs/dbraw/zinc/65/25/41/1358652541.db2.gz PRVKDBBJHCMSRM-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC2CCCC2)C1 ZINC001085639487 1358652544 /nfs/dbraw/zinc/65/25/44/1358652544.db2.gz PRVKDBBJHCMSRM-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCC2CCCC2)C1 ZINC001085639487 1358652547 /nfs/dbraw/zinc/65/25/47/1358652547.db2.gz PRVKDBBJHCMSRM-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1c[nH+]c2ccccc2c1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC001323427868 1387368810 /nfs/dbraw/zinc/36/88/10/1387368810.db2.gz USAFOFJZICNDII-UHFFFAOYSA-N 2 1 347.462 3.409 20 0 EGADMP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001086107190 1358999070 /nfs/dbraw/zinc/99/90/70/1358999070.db2.gz NPRFEDJDHWQZON-NSHGMRRFSA-N 2 1 347.547 3.068 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(Br)n2)C1 ZINC001334356630 1390523977 /nfs/dbraw/zinc/52/39/77/1390523977.db2.gz YIWFOYPXHKXZTB-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(Br)n2)C1 ZINC001334356630 1390523979 /nfs/dbraw/zinc/52/39/79/1390523979.db2.gz YIWFOYPXHKXZTB-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086558649 1359145248 /nfs/dbraw/zinc/14/52/48/1359145248.db2.gz GUSCUJYSEOQHTB-HNBVOPMISA-N 2 1 343.515 3.106 20 0 EGADMP C[C@H]1CC2(CN1C(=O)[C@H]1CCC[N@H+]1C)CC[NH+](CCC(C)(C)C)CC2 ZINC001086910442 1359238033 /nfs/dbraw/zinc/23/80/33/1359238033.db2.gz TWPKTTFJQOVABP-ZWKOTPCHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC3(C[C@@H]2C)CC[NH+](C(C)C)CC3)C1 ZINC001086926104 1359251165 /nfs/dbraw/zinc/25/11/65/1359251165.db2.gz PCRQEHJGXZOKFD-RBUKOAKNSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC3(C[C@H]2C)CC[NH+](C(C)C)CC3)C1 ZINC001086926102 1359251334 /nfs/dbraw/zinc/25/13/34/1359251334.db2.gz PCRQEHJGXZOKFD-MOPGFXCFSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC2(C[C@H]1C)CC[NH+](C(C)C)CC2 ZINC001086926971 1359252091 /nfs/dbraw/zinc/25/20/91/1359252091.db2.gz OTSOWLFVOPPEDY-RTBURBONSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001086938056 1359260307 /nfs/dbraw/zinc/26/03/07/1359260307.db2.gz GXAMYTAWPCRZFN-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086952249 1359272710 /nfs/dbraw/zinc/27/27/10/1359272710.db2.gz DAKMLJSZEPGFJR-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001087626144 1359561673 /nfs/dbraw/zinc/56/16/73/1359561673.db2.gz LQCLAXJYEBARPZ-OTWHNJEPSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CC1CC2(CCC2)C1 ZINC001087626144 1359561675 /nfs/dbraw/zinc/56/16/75/1359561675.db2.gz LQCLAXJYEBARPZ-OTWHNJEPSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CC1CC2(CCC2)C1 ZINC001087626144 1359561678 /nfs/dbraw/zinc/56/16/78/1359561678.db2.gz LQCLAXJYEBARPZ-OTWHNJEPSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CC1CC2(CCC2)C1 ZINC001087626144 1359561681 /nfs/dbraw/zinc/56/16/81/1359561681.db2.gz LQCLAXJYEBARPZ-OTWHNJEPSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC[N@H+]1CC1CCCC1 ZINC001087636315 1359565559 /nfs/dbraw/zinc/56/55/59/1359565559.db2.gz KLGUANOXAQLEOE-ZCNNSNEGSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC[NH+]1CC1CCCC1 ZINC001087636315 1359565560 /nfs/dbraw/zinc/56/55/60/1359565560.db2.gz KLGUANOXAQLEOE-ZCNNSNEGSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC[NH+]1CC1CCCC1 ZINC001087636315 1359565564 /nfs/dbraw/zinc/56/55/64/1359565564.db2.gz KLGUANOXAQLEOE-ZCNNSNEGSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1Cc1ccccc1 ZINC001087642496 1359567539 /nfs/dbraw/zinc/56/75/39/1359567539.db2.gz SLKFNIQAHHYAFF-VQTJNVASSA-N 2 1 348.450 3.117 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CC1CC(C)(C)C1 ZINC001087699934 1359599190 /nfs/dbraw/zinc/59/91/90/1359599190.db2.gz SPEPMZYZBIEIFA-DSLXNQLJSA-N 2 1 349.563 3.122 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CC1CC(C)(C)C1 ZINC001087699934 1359599193 /nfs/dbraw/zinc/59/91/93/1359599193.db2.gz SPEPMZYZBIEIFA-DSLXNQLJSA-N 2 1 349.563 3.122 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CC1CC(C)(C)C1 ZINC001087699934 1359599195 /nfs/dbraw/zinc/59/91/95/1359599195.db2.gz SPEPMZYZBIEIFA-DSLXNQLJSA-N 2 1 349.563 3.122 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC[N@H+]1CCC(C)C ZINC001087749630 1359626530 /nfs/dbraw/zinc/62/65/30/1359626530.db2.gz RZRCDNDCMQUMTD-GBESFXJTSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC[N@H+]1CC1CCCC1 ZINC001087749283 1359626765 /nfs/dbraw/zinc/62/67/65/1359626765.db2.gz CTADRHXOMKMXKX-ZCNNSNEGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC[NH+]1CC1CCCC1 ZINC001087749283 1359626767 /nfs/dbraw/zinc/62/67/67/1359626767.db2.gz CTADRHXOMKMXKX-ZCNNSNEGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC[NH+]1CC1CCCC1 ZINC001087749283 1359626771 /nfs/dbraw/zinc/62/67/71/1359626771.db2.gz CTADRHXOMKMXKX-ZCNNSNEGSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)[C@@H]1CC ZINC001087792218 1359648212 /nfs/dbraw/zinc/64/82/12/1359648212.db2.gz SQYLCQQJIBBPDU-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC2)[C@@H]1CC ZINC001087792218 1359648215 /nfs/dbraw/zinc/64/82/15/1359648215.db2.gz SQYLCQQJIBBPDU-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@@H]1CC ZINC001087792218 1359648218 /nfs/dbraw/zinc/64/82/18/1359648218.db2.gz SQYLCQQJIBBPDU-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCCC[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001088382230 1359865362 /nfs/dbraw/zinc/86/53/62/1359865362.db2.gz XBDBKAXJJFZODG-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569507 1359977044 /nfs/dbraw/zinc/97/70/44/1359977044.db2.gz XEQQYDDXGZTDLR-LMMKCTJWSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569507 1359977045 /nfs/dbraw/zinc/97/70/45/1359977045.db2.gz XEQQYDDXGZTDLR-LMMKCTJWSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569507 1359977047 /nfs/dbraw/zinc/97/70/47/1359977047.db2.gz XEQQYDDXGZTDLR-LMMKCTJWSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC3CCCCC3)[C@@H]2C)C1 ZINC001088616965 1359992446 /nfs/dbraw/zinc/99/24/46/1359992446.db2.gz SRAXVZKBKRUEQY-HOJAQTOUSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC3CCCCC3)[C@@H]2C)C1 ZINC001088616965 1359992449 /nfs/dbraw/zinc/99/24/49/1359992449.db2.gz SRAXVZKBKRUEQY-HOJAQTOUSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)[C@@H]2C)C1 ZINC001088616965 1359992452 /nfs/dbraw/zinc/99/24/52/1359992452.db2.gz SRAXVZKBKRUEQY-HOJAQTOUSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001088621868 1359993774 /nfs/dbraw/zinc/99/37/74/1359993774.db2.gz XCXFJFWIKFPPBK-RLLQIKCJSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1C ZINC001088621868 1359993776 /nfs/dbraw/zinc/99/37/76/1359993776.db2.gz XCXFJFWIKFPPBK-RLLQIKCJSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1C ZINC001088621868 1359993777 /nfs/dbraw/zinc/99/37/77/1359993777.db2.gz XCXFJFWIKFPPBK-RLLQIKCJSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CCC1CCCCC1 ZINC001088667029 1360007157 /nfs/dbraw/zinc/00/71/57/1360007157.db2.gz VWMNZFBEMVLTJR-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CCC1CCCCC1 ZINC001088667029 1360007159 /nfs/dbraw/zinc/00/71/59/1360007159.db2.gz VWMNZFBEMVLTJR-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CCC1CCCCC1 ZINC001088667029 1360007160 /nfs/dbraw/zinc/00/71/60/1360007160.db2.gz VWMNZFBEMVLTJR-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CCC1CCCCC1 ZINC001088667029 1360007163 /nfs/dbraw/zinc/00/71/63/1360007163.db2.gz VWMNZFBEMVLTJR-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[N@H+]1CC1CCCCC1 ZINC001088768978 1360036836 /nfs/dbraw/zinc/03/68/36/1360036836.db2.gz MLXPAOIPAGMJQV-UXPWSPDFSA-N 2 1 347.547 3.020 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088897298 1360097845 /nfs/dbraw/zinc/09/78/45/1360097845.db2.gz CPGNMDKVNLGHHF-LMMKCTJWSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC=C(C)C)[C@@H]1C ZINC001088971006 1360120531 /nfs/dbraw/zinc/12/05/31/1360120531.db2.gz XQKFOFBVZQOSLR-CEXWTWQISA-N 2 1 335.536 3.186 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC=C(C)C)[C@@H]1C ZINC001088971006 1360120534 /nfs/dbraw/zinc/12/05/34/1360120534.db2.gz XQKFOFBVZQOSLR-CEXWTWQISA-N 2 1 335.536 3.186 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC=C(C)C)[C@@H]1C ZINC001088971006 1360120536 /nfs/dbraw/zinc/12/05/36/1360120536.db2.gz XQKFOFBVZQOSLR-CEXWTWQISA-N 2 1 335.536 3.186 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001089207725 1360253101 /nfs/dbraw/zinc/25/31/01/1360253101.db2.gz AVZNQDOMPOGMST-YSIASYRMSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001089207725 1360253106 /nfs/dbraw/zinc/25/31/06/1360253106.db2.gz AVZNQDOMPOGMST-YSIASYRMSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001089207725 1360253107 /nfs/dbraw/zinc/25/31/07/1360253107.db2.gz AVZNQDOMPOGMST-YSIASYRMSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CCC3)CC(C)(C)C2)CC[N@H+]1C ZINC001089391837 1360392544 /nfs/dbraw/zinc/39/25/44/1360392544.db2.gz PWFPESQQRCVBEF-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CC3CCC3)CC(C)(C)C2)CC[NH+]1C ZINC001089391837 1360392548 /nfs/dbraw/zinc/39/25/48/1360392548.db2.gz PWFPESQQRCVBEF-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCC3)CC(C)(C)C2)CC[NH+]1C ZINC001089391837 1360392551 /nfs/dbraw/zinc/39/25/51/1360392551.db2.gz PWFPESQQRCVBEF-CEXWTWQISA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407087 1360405406 /nfs/dbraw/zinc/40/54/06/1360405406.db2.gz VZMGYWTXQPPAAN-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089407087 1360405408 /nfs/dbraw/zinc/40/54/08/1360405408.db2.gz VZMGYWTXQPPAAN-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089407087 1360405412 /nfs/dbraw/zinc/40/54/12/1360405412.db2.gz VZMGYWTXQPPAAN-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477042 1360459485 /nfs/dbraw/zinc/45/94/85/1360459485.db2.gz KFCQHSABBNLOKC-GBESFXJTSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477042 1360459488 /nfs/dbraw/zinc/45/94/88/1360459488.db2.gz KFCQHSABBNLOKC-GBESFXJTSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477042 1360459489 /nfs/dbraw/zinc/45/94/89/1360459489.db2.gz KFCQHSABBNLOKC-GBESFXJTSA-N 2 1 349.563 3.290 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)CC(C)(C)C2)CC1 ZINC001089484651 1360465501 /nfs/dbraw/zinc/46/55/01/1360465501.db2.gz ZJMFMDGVFSHNJR-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+](CCCC2CCC2)C1 ZINC001089563073 1360510645 /nfs/dbraw/zinc/51/06/45/1360510645.db2.gz OJLXDDAAZDVEQI-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089564867 1360511651 /nfs/dbraw/zinc/51/16/51/1360511651.db2.gz KGZBXTDAJYEUDK-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001089564867 1360511653 /nfs/dbraw/zinc/51/16/53/1360511653.db2.gz KGZBXTDAJYEUDK-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1 ZINC001089564867 1360511657 /nfs/dbraw/zinc/51/16/57/1360511657.db2.gz KGZBXTDAJYEUDK-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001089616425 1360536621 /nfs/dbraw/zinc/53/66/21/1360536621.db2.gz GVAPRMBVMMPNJT-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001089616425 1360536623 /nfs/dbraw/zinc/53/66/23/1360536623.db2.gz GVAPRMBVMMPNJT-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001089616425 1360536626 /nfs/dbraw/zinc/53/66/26/1360536626.db2.gz GVAPRMBVMMPNJT-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001089659214 1360570726 /nfs/dbraw/zinc/57/07/26/1360570726.db2.gz VKMSREIBSIFPHH-ZWKOTPCHSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001089659214 1360570728 /nfs/dbraw/zinc/57/07/28/1360570728.db2.gz VKMSREIBSIFPHH-ZWKOTPCHSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089659214 1360570731 /nfs/dbraw/zinc/57/07/31/1360570731.db2.gz VKMSREIBSIFPHH-ZWKOTPCHSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089659214 1360570732 /nfs/dbraw/zinc/57/07/32/1360570732.db2.gz VKMSREIBSIFPHH-ZWKOTPCHSA-N 2 1 335.536 3.044 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001089660763 1360571735 /nfs/dbraw/zinc/57/17/35/1360571735.db2.gz PSHJEWXWORTVPT-MRXNPFEDSA-N 2 1 342.487 3.273 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CC1 ZINC001089663018 1360573688 /nfs/dbraw/zinc/57/36/88/1360573688.db2.gz HUMICGCKZFTKOC-MOPGFXCFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001089663018 1360573689 /nfs/dbraw/zinc/57/36/89/1360573689.db2.gz HUMICGCKZFTKOC-MOPGFXCFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001089663018 1360573694 /nfs/dbraw/zinc/57/36/94/1360573694.db2.gz HUMICGCKZFTKOC-MOPGFXCFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664147 1360574219 /nfs/dbraw/zinc/57/42/19/1360574219.db2.gz CROHKXSTOQNCOB-GOSISDBHSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001089671387 1360581532 /nfs/dbraw/zinc/58/15/32/1360581532.db2.gz QOFLWHMZQLCYLM-GOSISDBHSA-N 2 1 342.487 3.355 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089733728 1360637687 /nfs/dbraw/zinc/63/76/87/1360637687.db2.gz AIRXPLMBVBMMGV-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001089733728 1360637690 /nfs/dbraw/zinc/63/76/90/1360637690.db2.gz AIRXPLMBVBMMGV-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001089733728 1360637693 /nfs/dbraw/zinc/63/76/93/1360637693.db2.gz AIRXPLMBVBMMGV-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089734111 1360638263 /nfs/dbraw/zinc/63/82/63/1360638263.db2.gz ITAJBEVCJMQZHW-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001089734111 1360638265 /nfs/dbraw/zinc/63/82/65/1360638265.db2.gz ITAJBEVCJMQZHW-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCC1 ZINC001089734111 1360638267 /nfs/dbraw/zinc/63/82/67/1360638267.db2.gz ITAJBEVCJMQZHW-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC2(C1)CC[NH+](CC1CCCCC1)CC2 ZINC001323835857 1387469282 /nfs/dbraw/zinc/46/92/82/1387469282.db2.gz NXCKHIMBMBBJRC-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC=C(C)C)C[C@H]1C ZINC001093120963 1361532947 /nfs/dbraw/zinc/53/29/47/1361532947.db2.gz REJDSFYTVIVRBQ-AQNXPRMDSA-N 2 1 349.563 3.291 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001093120963 1361532950 /nfs/dbraw/zinc/53/29/50/1361532950.db2.gz REJDSFYTVIVRBQ-AQNXPRMDSA-N 2 1 349.563 3.291 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001093120963 1361532953 /nfs/dbraw/zinc/53/29/53/1361532953.db2.gz REJDSFYTVIVRBQ-AQNXPRMDSA-N 2 1 349.563 3.291 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094497094 1361830543 /nfs/dbraw/zinc/83/05/43/1361830543.db2.gz ODYATSSZXNSWNF-SFHLNBCPSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC001094497094 1361830545 /nfs/dbraw/zinc/83/05/45/1361830545.db2.gz ODYATSSZXNSWNF-SFHLNBCPSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC001094497094 1361830548 /nfs/dbraw/zinc/83/05/48/1361830548.db2.gz ODYATSSZXNSWNF-SFHLNBCPSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001095532777 1362162985 /nfs/dbraw/zinc/16/29/85/1362162985.db2.gz PWUGDPVEPHCTSK-YRXWBPOGSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001095532777 1362162986 /nfs/dbraw/zinc/16/29/86/1362162986.db2.gz PWUGDPVEPHCTSK-YRXWBPOGSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001095532777 1362162988 /nfs/dbraw/zinc/16/29/88/1362162988.db2.gz PWUGDPVEPHCTSK-YRXWBPOGSA-N 2 1 349.563 3.407 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001096611120 1362595983 /nfs/dbraw/zinc/59/59/83/1362595983.db2.gz JBSLFWBFDDJSAV-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001096611120 1362595987 /nfs/dbraw/zinc/59/59/87/1362595987.db2.gz JBSLFWBFDDJSAV-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001096611120 1362595990 /nfs/dbraw/zinc/59/59/90/1362595990.db2.gz JBSLFWBFDDJSAV-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001096611481 1362596486 /nfs/dbraw/zinc/59/64/86/1362596486.db2.gz NKTRIMBQXZIPKU-YDZRNGNQSA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001096611481 1362596490 /nfs/dbraw/zinc/59/64/90/1362596490.db2.gz NKTRIMBQXZIPKU-YDZRNGNQSA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001096611481 1362596494 /nfs/dbraw/zinc/59/64/94/1362596494.db2.gz NKTRIMBQXZIPKU-YDZRNGNQSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(CC)CC)C1 ZINC001097694951 1363102985 /nfs/dbraw/zinc/10/29/85/1363102985.db2.gz LWZYZEVXKYRCBW-WTGUMLROSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(CC)CC)C1 ZINC001097694951 1363102987 /nfs/dbraw/zinc/10/29/87/1363102987.db2.gz LWZYZEVXKYRCBW-WTGUMLROSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(CC)CC)C1 ZINC001097694951 1363102989 /nfs/dbraw/zinc/10/29/89/1363102989.db2.gz LWZYZEVXKYRCBW-WTGUMLROSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)(C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC1CC1)[NH+]1CCCC1 ZINC001099166417 1363666173 /nfs/dbraw/zinc/66/61/73/1363666173.db2.gz VTZQGLIHWBWXMD-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCCCC1 ZINC001099215652 1363696418 /nfs/dbraw/zinc/69/64/18/1363696418.db2.gz YDRHSJFWNFKMDR-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C)[NH+](C)C ZINC001099239124 1363708325 /nfs/dbraw/zinc/70/83/25/1363708325.db2.gz AHNSVZPKVAAUCD-SJORKVTESA-N 2 1 339.568 3.370 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099240913 1363708994 /nfs/dbraw/zinc/70/89/94/1363708994.db2.gz VQJMJLBUOUWLDO-HMTUNPETSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001099240913 1363708996 /nfs/dbraw/zinc/70/89/96/1363708996.db2.gz VQJMJLBUOUWLDO-HMTUNPETSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001099240913 1363709000 /nfs/dbraw/zinc/70/90/00/1363709000.db2.gz VQJMJLBUOUWLDO-HMTUNPETSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001099296431 1363736386 /nfs/dbraw/zinc/73/63/86/1363736386.db2.gz AVUKFKXJZPUVQF-GFOMBABLSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001099296431 1363736387 /nfs/dbraw/zinc/73/63/87/1363736387.db2.gz AVUKFKXJZPUVQF-GFOMBABLSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001099296431 1363736390 /nfs/dbraw/zinc/73/63/90/1363736390.db2.gz AVUKFKXJZPUVQF-GFOMBABLSA-N 2 1 337.552 3.291 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC)c1ccccc1 ZINC001099304467 1363740400 /nfs/dbraw/zinc/74/04/00/1363740400.db2.gz QPDFAPHAKSZWLC-OALUTQOASA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC)c1ccccc1 ZINC001099304467 1363740404 /nfs/dbraw/zinc/74/04/04/1363740404.db2.gz QPDFAPHAKSZWLC-OALUTQOASA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC)c1ccccc1 ZINC001099304467 1363740406 /nfs/dbraw/zinc/74/04/06/1363740406.db2.gz QPDFAPHAKSZWLC-OALUTQOASA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC)c1ccccc1 ZINC001099304467 1363740409 /nfs/dbraw/zinc/74/04/09/1363740409.db2.gz QPDFAPHAKSZWLC-OALUTQOASA-N 2 1 345.531 3.306 20 0 EGADMP CC1(C)CC[C@H](CNC(=O)CCC[NH+]2CCCCC2)[N@@H+](CC2CC2)C1 ZINC001099340574 1363760633 /nfs/dbraw/zinc/76/06/33/1363760633.db2.gz VQLYURHABINUJQ-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340755 1363760855 /nfs/dbraw/zinc/76/08/55/1363760855.db2.gz YJEPQOWBRAFFJM-DKFQHHCZSA-N 2 1 346.519 3.155 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340755 1363760858 /nfs/dbraw/zinc/76/08/58/1363760858.db2.gz YJEPQOWBRAFFJM-DKFQHHCZSA-N 2 1 346.519 3.155 20 0 EGADMP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C(C)C)C1 ZINC001099551610 1363844150 /nfs/dbraw/zinc/84/41/50/1363844150.db2.gz ACRPRNQPBBIRAW-MUGJNUQGSA-N 2 1 349.563 3.076 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001099551610 1363844155 /nfs/dbraw/zinc/84/41/55/1363844155.db2.gz ACRPRNQPBBIRAW-MUGJNUQGSA-N 2 1 349.563 3.076 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001099551610 1363844157 /nfs/dbraw/zinc/84/41/57/1363844157.db2.gz ACRPRNQPBBIRAW-MUGJNUQGSA-N 2 1 349.563 3.076 20 0 EGADMP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CCC)C1 ZINC001099551650 1363844205 /nfs/dbraw/zinc/84/42/05/1363844205.db2.gz AQMWEFJSWRPMKE-MUGJNUQGSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)CCC)C1 ZINC001099551650 1363844210 /nfs/dbraw/zinc/84/42/10/1363844210.db2.gz AQMWEFJSWRPMKE-MUGJNUQGSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@@H+](C)CCC)C1 ZINC001099551650 1363844213 /nfs/dbraw/zinc/84/42/13/1363844213.db2.gz AQMWEFJSWRPMKE-MUGJNUQGSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001100383338 1364097524 /nfs/dbraw/zinc/09/75/24/1364097524.db2.gz WKPRTFNWBWLVKJ-DAWZGUTISA-N 2 1 337.552 3.172 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001100406646 1364104164 /nfs/dbraw/zinc/10/41/64/1364104164.db2.gz GNARMFXUYBJXGG-KFYHWWINSA-N 2 1 349.563 3.480 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001100406727 1364104228 /nfs/dbraw/zinc/10/42/28/1364104228.db2.gz KLDBOGLCXQYKLH-SOAGJPPSSA-N 2 1 347.547 3.234 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001100419535 1364108252 /nfs/dbraw/zinc/10/82/52/1364108252.db2.gz WINVFHHQKZAWLJ-LKFCSYKXSA-N 2 1 335.536 3.092 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2CC([NH2+]CCCC3CCC3)C2)C1 ZINC001100599224 1364182919 /nfs/dbraw/zinc/18/29/19/1364182919.db2.gz PWPDPWCVYDDZFX-IOJLRTSASA-N 2 1 349.563 3.173 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC1CC([NH2+]C[C@H](C)CC(C)C)C1 ZINC001100758062 1364248427 /nfs/dbraw/zinc/24/84/27/1364248427.db2.gz VIQYDKRCSOLUPR-IPJUCJBFSA-N 2 1 348.535 3.138 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001101476424 1364575543 /nfs/dbraw/zinc/57/55/43/1364575543.db2.gz RZDVFMOXOUTAIR-DYXWJJEUSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001101476424 1364575546 /nfs/dbraw/zinc/57/55/46/1364575546.db2.gz RZDVFMOXOUTAIR-DYXWJJEUSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@]2(C)C1 ZINC001101476424 1364575549 /nfs/dbraw/zinc/57/55/49/1364575549.db2.gz RZDVFMOXOUTAIR-DYXWJJEUSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001101540510 1364606904 /nfs/dbraw/zinc/60/69/04/1364606904.db2.gz HGHUVOJOWHBAIQ-SFHVURJKSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001101574733 1364628884 /nfs/dbraw/zinc/62/88/84/1364628884.db2.gz BDWMYECTOMRAKJ-MJGOQNOKSA-N 2 1 349.563 3.005 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102070316 1364836110 /nfs/dbraw/zinc/83/61/10/1364836110.db2.gz FNMPAFKTMVYIOZ-QHSFFJGXSA-N 2 1 337.552 3.003 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102428899 1365050108 /nfs/dbraw/zinc/05/01/08/1365050108.db2.gz YJNWTBHJAKODLN-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102428899 1365050112 /nfs/dbraw/zinc/05/01/12/1365050112.db2.gz YJNWTBHJAKODLN-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001102428899 1365050117 /nfs/dbraw/zinc/05/01/17/1365050117.db2.gz YJNWTBHJAKODLN-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC)Cc1cccc(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)c1 ZINC001324654740 1387719117 /nfs/dbraw/zinc/71/91/17/1387719117.db2.gz SHWFAHOPVWUYRB-UHFFFAOYSA-N 2 1 349.438 3.361 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001102515546 1365094821 /nfs/dbraw/zinc/09/48/21/1365094821.db2.gz YASOYKFMFYEZSO-IAGOWNOFSA-N 2 1 346.519 3.026 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001102515546 1365094823 /nfs/dbraw/zinc/09/48/23/1365094823.db2.gz YASOYKFMFYEZSO-IAGOWNOFSA-N 2 1 346.519 3.026 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102783182 1365216300 /nfs/dbraw/zinc/21/63/00/1365216300.db2.gz YJJMXEHQKIWKQQ-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001102783182 1365216304 /nfs/dbraw/zinc/21/63/04/1365216304.db2.gz YJJMXEHQKIWKQQ-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001102783182 1365216306 /nfs/dbraw/zinc/21/63/06/1365216306.db2.gz YJJMXEHQKIWKQQ-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001324669631 1387726505 /nfs/dbraw/zinc/72/65/05/1387726505.db2.gz PREJVRSTAKHNER-YLJYHZDGSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001324669631 1387726509 /nfs/dbraw/zinc/72/65/09/1387726509.db2.gz PREJVRSTAKHNER-YLJYHZDGSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001324669631 1387726510 /nfs/dbraw/zinc/72/65/10/1387726510.db2.gz PREJVRSTAKHNER-YLJYHZDGSA-N 2 1 331.504 3.060 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103111614 1365386856 /nfs/dbraw/zinc/38/68/56/1365386856.db2.gz DUXJGRQBSIIJPF-NFTNHMJPSA-N 2 1 337.552 3.003 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001103373514 1365523232 /nfs/dbraw/zinc/52/32/32/1365523232.db2.gz VUXKMTVEHCUBIP-GVDBMIGSSA-N 2 1 349.519 3.075 20 0 EGADMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C)[NH+](CC)CC ZINC001103426517 1365553134 /nfs/dbraw/zinc/55/31/34/1365553134.db2.gz AIWDAGFGSXDQMJ-QRVBRYPASA-N 2 1 339.568 3.227 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001103433974 1365557545 /nfs/dbraw/zinc/55/75/45/1365557545.db2.gz PXDMMXOJKXQURA-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001103433974 1365557550 /nfs/dbraw/zinc/55/75/50/1365557550.db2.gz PXDMMXOJKXQURA-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001103433974 1365557555 /nfs/dbraw/zinc/55/75/55/1365557555.db2.gz PXDMMXOJKXQURA-WSTZPKSXSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001103533784 1365617655 /nfs/dbraw/zinc/61/76/55/1365617655.db2.gz AZZBRHMLVMZNQM-YQVWRLOYSA-N 2 1 348.535 3.092 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001103533784 1365617657 /nfs/dbraw/zinc/61/76/57/1365617657.db2.gz AZZBRHMLVMZNQM-YQVWRLOYSA-N 2 1 348.535 3.092 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001103612549 1365676155 /nfs/dbraw/zinc/67/61/55/1365676155.db2.gz IJFUOMYMDZCKFM-WSTZPKSXSA-N 2 1 345.531 3.164 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001103612549 1365676158 /nfs/dbraw/zinc/67/61/58/1365676158.db2.gz IJFUOMYMDZCKFM-WSTZPKSXSA-N 2 1 345.531 3.164 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001103612549 1365676160 /nfs/dbraw/zinc/67/61/60/1365676160.db2.gz IJFUOMYMDZCKFM-WSTZPKSXSA-N 2 1 345.531 3.164 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CC2CC2)C[C@H]1C ZINC001103631593 1365690188 /nfs/dbraw/zinc/69/01/88/1365690188.db2.gz UYFSKISTZRKAHT-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CC2CC2)C[C@H]1C ZINC001103631593 1365690194 /nfs/dbraw/zinc/69/01/94/1365690194.db2.gz UYFSKISTZRKAHT-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C ZINC001103631593 1365690198 /nfs/dbraw/zinc/69/01/98/1365690198.db2.gz UYFSKISTZRKAHT-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccc(F)cc1 ZINC001185705516 1387783023 /nfs/dbraw/zinc/78/30/23/1387783023.db2.gz DXBXXKPEPKHECB-CRAIPNDOSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104579871 1366085439 /nfs/dbraw/zinc/08/54/39/1366085439.db2.gz RJDRLJRLNZGECW-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C)C[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001104793908 1366175411 /nfs/dbraw/zinc/17/54/11/1366175411.db2.gz OQMYHTSZXBKMPA-ZHALLVOQSA-N 2 1 348.535 3.092 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)c2ccccc2)C1 ZINC001104873774 1366206108 /nfs/dbraw/zinc/20/61/08/1366206108.db2.gz FEHMRQGZQHIDGQ-QWFCFKBJSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001104896618 1366213462 /nfs/dbraw/zinc/21/34/62/1366213462.db2.gz HRXUBCGFMBESCS-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](C)CC(C)C)C1 ZINC001104937503 1366231183 /nfs/dbraw/zinc/23/11/83/1366231183.db2.gz BHIKTFCHOBZWHX-GUDVDZBRSA-N 2 1 339.568 3.085 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001105066894 1366304729 /nfs/dbraw/zinc/30/47/29/1366304729.db2.gz FTQSGTUGQLCODM-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](C(=O)N1CCC([C@@H]2[N@@H+](CC)CC23CCC3)CC1)[NH+](CC)CC ZINC001105396892 1366445802 /nfs/dbraw/zinc/44/58/02/1366445802.db2.gz YLIROPUBWAZLSP-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105544322 1366521002 /nfs/dbraw/zinc/52/10/02/1366521002.db2.gz HGWXRODNHQBGMH-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CC[C@@H](C)C2)CCC1 ZINC001105563325 1366532719 /nfs/dbraw/zinc/53/27/19/1366532719.db2.gz JYCCIJHIQNMOQZ-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CCC[C@H]2C)CCC1 ZINC001105563350 1366532930 /nfs/dbraw/zinc/53/29/30/1366532930.db2.gz KSLZMTFXEDKVIM-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CCC[C@@H]2C)CCC1 ZINC001105564323 1366533528 /nfs/dbraw/zinc/53/35/28/1366533528.db2.gz ZTNXKORVTJWHGG-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001106357951 1366668464 /nfs/dbraw/zinc/66/84/64/1366668464.db2.gz QQIGAXWNEDECDF-AHSYYPKJSA-N 2 1 349.563 3.147 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)c2ccccc2)[C@H](C)C1 ZINC001106905631 1366829200 /nfs/dbraw/zinc/82/92/00/1366829200.db2.gz ZQKZSGSWVAZAHE-QWFCFKBJSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H](CC)c2ccccc2)[C@H](C)C1 ZINC001106908068 1366830270 /nfs/dbraw/zinc/83/02/70/1366830270.db2.gz OIVFQLFWMNLJJH-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439415 1366963619 /nfs/dbraw/zinc/96/36/19/1366963619.db2.gz ZZNQORQYQMJVJQ-SKCPSPIOSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444616 1366965375 /nfs/dbraw/zinc/96/53/75/1366965375.db2.gz RQKVTZHMNYXBGG-VWICVCDTSA-N 2 1 349.563 3.290 20 0 EGADMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001189470469 1367031785 /nfs/dbraw/zinc/03/17/85/1367031785.db2.gz JATZXIZXTKGGJA-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107586925 1367058754 /nfs/dbraw/zinc/05/87/54/1367058754.db2.gz DZFHUDNEUWLZTI-FBBABVLZSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCCC(C)(C)C)CC3)C1 ZINC001107632208 1367084588 /nfs/dbraw/zinc/08/45/88/1367084588.db2.gz WHAWLJJTFYTQNM-WAOWUJCRSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCCC(C)(C)C)CC3)C1 ZINC001107632208 1367084595 /nfs/dbraw/zinc/08/45/95/1367084595.db2.gz WHAWLJJTFYTQNM-WAOWUJCRSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCCC(C)(C)C)CC3)C1 ZINC001107632208 1367084599 /nfs/dbraw/zinc/08/45/99/1367084599.db2.gz WHAWLJJTFYTQNM-WAOWUJCRSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(C[NH+]1CCCC1)NC[C@]12CCC[C@H]1[N@@H+](CCCC1CCC1)CC2 ZINC001107634175 1367085579 /nfs/dbraw/zinc/08/55/79/1367085579.db2.gz NUXKLXHBAJWASR-TZIWHRDSSA-N 2 1 347.547 3.023 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109428137 1367115940 /nfs/dbraw/zinc/11/59/40/1367115940.db2.gz OTEUBKTVYFEMJH-HVZOKFKCSA-N 2 1 335.536 3.041 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001109489344 1367155593 /nfs/dbraw/zinc/15/55/93/1367155593.db2.gz RQMVCWJWMMHDBE-RBLOLEQCSA-N 2 1 338.455 3.026 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCCC2)C1 ZINC001190084751 1367168795 /nfs/dbraw/zinc/16/87/95/1367168795.db2.gz RQSVSHRTPRPJNR-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001190084751 1367168801 /nfs/dbraw/zinc/16/88/01/1367168801.db2.gz RQSVSHRTPRPJNR-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001190084751 1367168810 /nfs/dbraw/zinc/16/88/10/1367168810.db2.gz RQSVSHRTPRPJNR-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560952 1367198673 /nfs/dbraw/zinc/19/86/73/1367198673.db2.gz ZDXVKYHDTICRFG-QYZOEREBSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212913 1367200968 /nfs/dbraw/zinc/20/09/68/1367200968.db2.gz OCONXJAOGOCCDM-YIYNPQHWSA-N 2 1 347.547 3.142 20 0 EGADMP CCc1nccn1[C@@H](C)CC(=O)N1CC[C@H]([N@@H+](C)CCCC(C)C)C1 ZINC001190248189 1367208972 /nfs/dbraw/zinc/20/89/72/1367208972.db2.gz XXTNJRICRRNTAS-ROUUACIJSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H]([N@H+](C)CCCC(C)C)C1 ZINC001190248189 1367208977 /nfs/dbraw/zinc/20/89/77/1367208977.db2.gz XXTNJRICRRNTAS-ROUUACIJSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H]([N@@H+](C)CCCC(C)C)C1 ZINC001190248189 1367208980 /nfs/dbraw/zinc/20/89/80/1367208980.db2.gz XXTNJRICRRNTAS-ROUUACIJSA-N 2 1 348.535 3.366 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC(C)(C)CC1 ZINC001109653701 1367265404 /nfs/dbraw/zinc/26/54/04/1367265404.db2.gz CNKQVIFRSDDHAA-QYZOEREBSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1)[NH+](CC)CC ZINC001109714486 1367290585 /nfs/dbraw/zinc/29/05/85/1367290585.db2.gz MHDOGXTZSAYMRD-FYQPLNBISA-N 2 1 349.563 3.409 20 0 EGADMP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190653803 1367317103 /nfs/dbraw/zinc/31/71/03/1367317103.db2.gz GIKRDYOSWQLTAU-OSFIAYCASA-N 2 1 344.503 3.040 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190653803 1367317109 /nfs/dbraw/zinc/31/71/09/1367317109.db2.gz GIKRDYOSWQLTAU-OSFIAYCASA-N 2 1 344.503 3.040 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656327 1367320679 /nfs/dbraw/zinc/32/06/79/1367320679.db2.gz RZSKKJULIYDIMI-OALUTQOASA-N 2 1 335.536 3.116 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190656327 1367320684 /nfs/dbraw/zinc/32/06/84/1367320684.db2.gz RZSKKJULIYDIMI-OALUTQOASA-N 2 1 335.536 3.116 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190656327 1367320688 /nfs/dbraw/zinc/32/06/88/1367320688.db2.gz RZSKKJULIYDIMI-OALUTQOASA-N 2 1 335.536 3.116 20 0 EGADMP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109800559 1367328975 /nfs/dbraw/zinc/32/89/75/1367328975.db2.gz GANOGASUBMASSU-SQNIBIBYSA-N 2 1 346.519 3.164 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109800559 1367328979 /nfs/dbraw/zinc/32/89/79/1367328979.db2.gz GANOGASUBMASSU-SQNIBIBYSA-N 2 1 346.519 3.164 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001109865293 1367370965 /nfs/dbraw/zinc/37/09/65/1367370965.db2.gz NVDHAUTVESVSFJ-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CCC2CCCCC2)C1 ZINC001191029772 1367405393 /nfs/dbraw/zinc/40/53/93/1367405393.db2.gz NIYGKKDRXRSOSC-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191080536 1367419246 /nfs/dbraw/zinc/41/92/46/1367419246.db2.gz IMWFEKMKYICOBX-ILWWCXPUSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191080536 1367419248 /nfs/dbraw/zinc/41/92/48/1367419248.db2.gz IMWFEKMKYICOBX-ILWWCXPUSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191080536 1367419250 /nfs/dbraw/zinc/41/92/50/1367419250.db2.gz IMWFEKMKYICOBX-ILWWCXPUSA-N 2 1 349.563 3.386 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001110002552 1367453800 /nfs/dbraw/zinc/45/38/00/1367453800.db2.gz LEOVKDJLZWSDGK-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002713 1367454113 /nfs/dbraw/zinc/45/41/13/1367454113.db2.gz QWRDRVMVIDKTNU-LMCOJAPRSA-N 2 1 343.515 3.201 20 0 EGADMP Cc1ccc(NC(=O)CC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1F ZINC001191259194 1367461557 /nfs/dbraw/zinc/46/15/57/1367461557.db2.gz SWKVDYSDEIDDRO-QGZVFWFLSA-N 2 1 335.467 3.269 20 0 EGADMP Cc1ccc(NC(=O)CC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1F ZINC001191259194 1367461559 /nfs/dbraw/zinc/46/15/59/1367461559.db2.gz SWKVDYSDEIDDRO-QGZVFWFLSA-N 2 1 335.467 3.269 20 0 EGADMP Cc1ccc(NC(=O)CC[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1F ZINC001191259194 1367461563 /nfs/dbraw/zinc/46/15/63/1367461563.db2.gz SWKVDYSDEIDDRO-QGZVFWFLSA-N 2 1 335.467 3.269 20 0 EGADMP C[NH+](CCC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1)C1CCCCC1 ZINC001191551518 1367525822 /nfs/dbraw/zinc/52/58/22/1367525822.db2.gz NHPKFHVBIKKWPX-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCC1)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001191551518 1367525825 /nfs/dbraw/zinc/52/58/25/1367525825.db2.gz NHPKFHVBIKKWPX-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCC1)[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001191551518 1367525831 /nfs/dbraw/zinc/52/58/31/1367525831.db2.gz NHPKFHVBIKKWPX-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191560568 1367527899 /nfs/dbraw/zinc/52/78/99/1367527899.db2.gz GSKRPXXSMIMNKC-SFHVURJKSA-N 2 1 337.552 3.364 20 0 EGADMP CC(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001108734831 1367565612 /nfs/dbraw/zinc/56/56/12/1367565612.db2.gz YQWKUIQTENOGAW-NSHGMRRFSA-N 2 1 349.563 3.266 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCC)C2 ZINC001108804802 1367606832 /nfs/dbraw/zinc/60/68/32/1367606832.db2.gz YOLFTLFAYMYUEC-BKFNIVOESA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191986803 1367656178 /nfs/dbraw/zinc/65/61/78/1367656178.db2.gz BVNOFUSGCZVBJJ-DVBCCOPCSA-N 2 1 347.503 3.234 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192030393 1367669442 /nfs/dbraw/zinc/66/94/42/1367669442.db2.gz QIKVUJDFSKHDFS-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP C[NH+](CCC1CCCC1)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192407207 1367775335 /nfs/dbraw/zinc/77/53/35/1367775335.db2.gz SOQDBZFGFCKKIL-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@H]([N@H+](C)CCC2CCCC2)C1)CC(C)(C)C ZINC001192407207 1367775338 /nfs/dbraw/zinc/77/53/38/1367775338.db2.gz SOQDBZFGFCKKIL-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCC2)C1)CC(C)(C)C ZINC001192407207 1367775339 /nfs/dbraw/zinc/77/53/39/1367775339.db2.gz SOQDBZFGFCKKIL-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192642627 1367840349 /nfs/dbraw/zinc/84/03/49/1367840349.db2.gz VZKGQXKODIPDCE-QGZVFWFLSA-N 2 1 334.508 3.120 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192642627 1367840355 /nfs/dbraw/zinc/84/03/55/1367840355.db2.gz VZKGQXKODIPDCE-QGZVFWFLSA-N 2 1 334.508 3.120 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CCCCC)C1 ZINC001192907207 1367901043 /nfs/dbraw/zinc/90/10/43/1367901043.db2.gz UIPAWGKKNNLRNE-GOSISDBHSA-N 2 1 325.541 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CCCCC)C1 ZINC001192907207 1367901049 /nfs/dbraw/zinc/90/10/49/1367901049.db2.gz UIPAWGKKNNLRNE-GOSISDBHSA-N 2 1 325.541 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CCCCC)C1 ZINC001192907207 1367901050 /nfs/dbraw/zinc/90/10/50/1367901050.db2.gz UIPAWGKKNNLRNE-GOSISDBHSA-N 2 1 325.541 3.221 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)C(C)C ZINC001192916671 1367904010 /nfs/dbraw/zinc/90/40/10/1367904010.db2.gz BLGPQEBYDJTTSI-VQTJNVASSA-N 2 1 345.531 3.086 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1)C(C)C ZINC001192918384 1367904863 /nfs/dbraw/zinc/90/48/63/1367904863.db2.gz ZKLIFIGTYOYQFE-MSOLQXFVSA-N 2 1 339.568 3.322 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001110683283 1367925356 /nfs/dbraw/zinc/92/53/56/1367925356.db2.gz YDGGLVHNKIOJRP-NMLBUPMWSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001110683283 1367925358 /nfs/dbraw/zinc/92/53/58/1367925358.db2.gz YDGGLVHNKIOJRP-NMLBUPMWSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001110683283 1367925362 /nfs/dbraw/zinc/92/53/62/1367925362.db2.gz YDGGLVHNKIOJRP-NMLBUPMWSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001110710136 1367941879 /nfs/dbraw/zinc/94/18/79/1367941879.db2.gz YKDKMJIQWKZCEW-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001110736932 1367954659 /nfs/dbraw/zinc/95/46/59/1367954659.db2.gz SSOINKDZNQTYNM-QRVBRYPASA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001110736932 1367954661 /nfs/dbraw/zinc/95/46/61/1367954661.db2.gz SSOINKDZNQTYNM-QRVBRYPASA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001110736932 1367954666 /nfs/dbraw/zinc/95/46/66/1367954666.db2.gz SSOINKDZNQTYNM-QRVBRYPASA-N 2 1 349.563 3.409 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754219 1367961071 /nfs/dbraw/zinc/96/10/71/1367961071.db2.gz JRQFVWISBMPKPP-MIIYPZDFSA-N 2 1 347.547 3.185 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001110754219 1367961078 /nfs/dbraw/zinc/96/10/78/1367961078.db2.gz JRQFVWISBMPKPP-MIIYPZDFSA-N 2 1 347.547 3.185 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001110754219 1367961082 /nfs/dbraw/zinc/96/10/82/1367961082.db2.gz JRQFVWISBMPKPP-MIIYPZDFSA-N 2 1 347.547 3.185 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCCC3CCC3)C2)CC1 ZINC001193205031 1367966181 /nfs/dbraw/zinc/96/61/81/1367966181.db2.gz QCKZXLOWDKCEJC-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1cccc2c1C[N@@H+](Cc1ccc(CN3CCOCC3)cc1)CC2 ZINC001193355777 1368007479 /nfs/dbraw/zinc/00/74/79/1368007479.db2.gz ZPECELRMIUNCPU-UHFFFAOYSA-N 2 1 336.479 3.386 20 0 EGADMP Cc1cccc2c1C[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC001193355777 1368007486 /nfs/dbraw/zinc/00/74/86/1368007486.db2.gz ZPECELRMIUNCPU-UHFFFAOYSA-N 2 1 336.479 3.386 20 0 EGADMP Cc1cccc2c1C[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC001193355777 1368007492 /nfs/dbraw/zinc/00/74/92/1368007492.db2.gz ZPECELRMIUNCPU-UHFFFAOYSA-N 2 1 336.479 3.386 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857869 1368037886 /nfs/dbraw/zinc/03/78/86/1368037886.db2.gz URDLVOLPYTZIOC-MKXGPGLRSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001110857938 1368038052 /nfs/dbraw/zinc/03/80/52/1368038052.db2.gz XORSNUVYUHHNNN-AQNXPRMDSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110857938 1368038056 /nfs/dbraw/zinc/03/80/56/1368038056.db2.gz XORSNUVYUHHNNN-AQNXPRMDSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110857938 1368038063 /nfs/dbraw/zinc/03/80/63/1368038063.db2.gz XORSNUVYUHHNNN-AQNXPRMDSA-N 2 1 347.547 3.329 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001193500302 1368047094 /nfs/dbraw/zinc/04/70/94/1368047094.db2.gz RZJYHRLOIVQQNV-MRXNPFEDSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001193571266 1368064674 /nfs/dbraw/zinc/06/46/74/1368064674.db2.gz RDSMXIPMAAEPRH-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2CC)C1 ZINC001193601338 1368071987 /nfs/dbraw/zinc/07/19/87/1368071987.db2.gz ZNDCFPKSJXRQQG-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2CC)C1 ZINC001193601338 1368071991 /nfs/dbraw/zinc/07/19/91/1368071991.db2.gz ZNDCFPKSJXRQQG-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2CC)C1 ZINC001193601338 1368071995 /nfs/dbraw/zinc/07/19/95/1368071995.db2.gz ZNDCFPKSJXRQQG-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@H](C)c2cc(C)ccc2C)C1 ZINC001193639532 1368081357 /nfs/dbraw/zinc/08/13/57/1368081357.db2.gz AKUKSVHSQSWTFC-MOPGFXCFSA-N 2 1 345.531 3.239 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2cc(C)ccc2C)C1 ZINC001193639532 1368081361 /nfs/dbraw/zinc/08/13/61/1368081361.db2.gz AKUKSVHSQSWTFC-MOPGFXCFSA-N 2 1 345.531 3.239 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2cc(C)ccc2C)C1 ZINC001193639532 1368081364 /nfs/dbraw/zinc/08/13/64/1368081364.db2.gz AKUKSVHSQSWTFC-MOPGFXCFSA-N 2 1 345.531 3.239 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959130 1368124657 /nfs/dbraw/zinc/12/46/57/1368124657.db2.gz FKKGVYWYDYQMRB-CUDHKJQZSA-N 2 1 343.515 3.119 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C)[NH+](CC)CC ZINC001111018326 1368144493 /nfs/dbraw/zinc/14/44/93/1368144493.db2.gz QVOXUVVJRQRNAF-BDXSIMOUSA-N 2 1 337.552 3.265 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001111145525 1368164202 /nfs/dbraw/zinc/16/42/02/1368164202.db2.gz KUKOJLJVPLGBFZ-AQNXPRMDSA-N 2 1 343.515 3.274 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)(C)CC1 ZINC001111233310 1368209032 /nfs/dbraw/zinc/20/90/32/1368209032.db2.gz MAABLFOAWSPFJX-QRVBRYPASA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC(C)(C)CC1 ZINC001111233310 1368209037 /nfs/dbraw/zinc/20/90/37/1368209037.db2.gz MAABLFOAWSPFJX-QRVBRYPASA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC(C)(C)CC1 ZINC001111233310 1368209040 /nfs/dbraw/zinc/20/90/40/1368209040.db2.gz MAABLFOAWSPFJX-QRVBRYPASA-N 2 1 349.563 3.266 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227908 1368212509 /nfs/dbraw/zinc/21/25/09/1368212509.db2.gz OHIAUPLQJLTXTI-PXDRNWIDSA-N 2 1 343.515 3.251 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H]([N@@H+](C)CCC(C)(C)C)C2)c1 ZINC001194228695 1368212932 /nfs/dbraw/zinc/21/29/32/1368212932.db2.gz SMOJAENVWGMQPX-LJQANCHMSA-N 2 1 345.531 3.331 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194229444 1368213140 /nfs/dbraw/zinc/21/31/40/1368213140.db2.gz XJPJUEAIPMYEDM-UYAOXDASSA-N 2 1 343.515 3.156 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCCC1 ZINC001111466534 1368312149 /nfs/dbraw/zinc/31/21/49/1368312149.db2.gz YWWDGGYGPWYJFV-AQNXPRMDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCCC1 ZINC001111466534 1368312152 /nfs/dbraw/zinc/31/21/52/1368312152.db2.gz YWWDGGYGPWYJFV-AQNXPRMDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCCC1 ZINC001111466534 1368312157 /nfs/dbraw/zinc/31/21/57/1368312157.db2.gz YWWDGGYGPWYJFV-AQNXPRMDSA-N 2 1 349.563 3.409 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001111463411 1368312231 /nfs/dbraw/zinc/31/22/31/1368312231.db2.gz PWSUFGRQCOEOOZ-AKHDSKFASA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001111463411 1368312238 /nfs/dbraw/zinc/31/22/38/1368312238.db2.gz PWSUFGRQCOEOOZ-AKHDSKFASA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001111463411 1368312242 /nfs/dbraw/zinc/31/22/42/1368312242.db2.gz PWSUFGRQCOEOOZ-AKHDSKFASA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001111891540 1368536632 /nfs/dbraw/zinc/53/66/32/1368536632.db2.gz XAOPUQJQRKOQQS-FPOVZHCZSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001196342003 1368593778 /nfs/dbraw/zinc/59/37/78/1368593778.db2.gz UMLBEJGMTIJZEH-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(C)cc2C)CC1 ZINC001196342003 1368593784 /nfs/dbraw/zinc/59/37/84/1368593784.db2.gz UMLBEJGMTIJZEH-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(C)cc2C)CC1 ZINC001196342003 1368593786 /nfs/dbraw/zinc/59/37/86/1368593786.db2.gz UMLBEJGMTIJZEH-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388953 1368604366 /nfs/dbraw/zinc/60/43/66/1368604366.db2.gz XJPBTSGHYGISAM-HCZHMGAMSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001196388953 1368604370 /nfs/dbraw/zinc/60/43/70/1368604370.db2.gz XJPBTSGHYGISAM-HCZHMGAMSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001196388953 1368604373 /nfs/dbraw/zinc/60/43/73/1368604373.db2.gz XJPBTSGHYGISAM-HCZHMGAMSA-N 2 1 349.563 3.388 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112018086 1368621366 /nfs/dbraw/zinc/62/13/66/1368621366.db2.gz ZZOJQCAWPMNDTD-ZJOUEHCJSA-N 2 1 349.563 3.269 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619930 1368651291 /nfs/dbraw/zinc/65/12/91/1368651291.db2.gz PMBIWYKAUHKZIL-FBQMEGEOSA-N 2 1 347.547 3.142 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001197404315 1368807288 /nfs/dbraw/zinc/80/72/88/1368807288.db2.gz XQMVNSGDDHRIOF-OALUTQOASA-N 2 1 335.536 3.118 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001197404315 1368807291 /nfs/dbraw/zinc/80/72/91/1368807291.db2.gz XQMVNSGDDHRIOF-OALUTQOASA-N 2 1 335.536 3.118 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001197404315 1368807295 /nfs/dbraw/zinc/80/72/95/1368807295.db2.gz XQMVNSGDDHRIOF-OALUTQOASA-N 2 1 335.536 3.118 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@@H+](CC2=CCCCC2)CC1)C(C)C ZINC001197484434 1368823995 /nfs/dbraw/zinc/82/39/95/1368823995.db2.gz DHCHHXCKRXNVOJ-HXUWFJFHSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001112401469 1368825643 /nfs/dbraw/zinc/82/56/43/1368825643.db2.gz GLIHJCFPPYUKOH-MWZYOKOPSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197878868 1368917901 /nfs/dbraw/zinc/91/79/01/1368917901.db2.gz AJPPKFBOEQZXMP-KRWDZBQOSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+](CC2CCCCCC2)CC1 ZINC001197907995 1368922355 /nfs/dbraw/zinc/92/23/55/1368922355.db2.gz OOOQUWMBAJYTJJ-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001197907995 1368922358 /nfs/dbraw/zinc/92/23/58/1368922358.db2.gz OOOQUWMBAJYTJJ-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001197907995 1368922360 /nfs/dbraw/zinc/92/23/60/1368922360.db2.gz OOOQUWMBAJYTJJ-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+](CCCC2CCCC2)CC1 ZINC001197908270 1368922911 /nfs/dbraw/zinc/92/29/11/1368922911.db2.gz VPCVXPQEPKZUNQ-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001197908270 1368922918 /nfs/dbraw/zinc/92/29/18/1368922918.db2.gz VPCVXPQEPKZUNQ-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001197908270 1368922929 /nfs/dbraw/zinc/92/29/29/1368922929.db2.gz VPCVXPQEPKZUNQ-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC)C1 ZINC001112561209 1368928328 /nfs/dbraw/zinc/92/83/28/1368928328.db2.gz MBPKSJMWOFVDFW-ZVDOUQERSA-N 2 1 349.563 3.269 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001112586140 1368938094 /nfs/dbraw/zinc/93/80/94/1368938094.db2.gz JJOFDSZVCFWBRX-QGELVWPYSA-N 2 1 349.563 3.291 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001198243304 1368987286 /nfs/dbraw/zinc/98/72/86/1368987286.db2.gz GSWAXXLBYAFEPX-UHFFFAOYSA-N 2 1 349.563 3.367 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198364396 1369017406 /nfs/dbraw/zinc/01/74/06/1369017406.db2.gz UFKAPSKHEAKNCD-ARJAWSKDSA-N 2 1 335.536 3.143 20 0 EGADMP CC(C)CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001112855343 1369048976 /nfs/dbraw/zinc/04/89/76/1369048976.db2.gz SBFQPHPMJSZTEA-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001112966162 1369113048 /nfs/dbraw/zinc/11/30/48/1369113048.db2.gz UPCOJOJGOORZBX-LIXSYLKWSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001186605566 1387983879 /nfs/dbraw/zinc/98/38/79/1387983879.db2.gz PVDNJMMUXJDZJO-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001113300768 1369332038 /nfs/dbraw/zinc/33/20/38/1369332038.db2.gz BETVXGOMPSSEJL-QGZVFWFLSA-N 2 1 345.531 3.141 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)c1 ZINC001113355942 1369367120 /nfs/dbraw/zinc/36/71/20/1369367120.db2.gz YAUUDVRWCQIWFN-SFHVURJKSA-N 2 1 345.531 3.178 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)c1 ZINC001113355942 1369367122 /nfs/dbraw/zinc/36/71/22/1369367122.db2.gz YAUUDVRWCQIWFN-SFHVURJKSA-N 2 1 345.531 3.178 20 0 EGADMP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001200577607 1369392647 /nfs/dbraw/zinc/39/26/47/1369392647.db2.gz BGWHBLMCQRCQSV-ROUUACIJSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001200578564 1369393926 /nfs/dbraw/zinc/39/39/26/1369393926.db2.gz XFUGPDZBENGIIJ-SFHVURJKSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001200578559 1369393946 /nfs/dbraw/zinc/39/39/46/1369393946.db2.gz XFPZPWPCSJDLFX-BBCKOWNQSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001200645048 1369404820 /nfs/dbraw/zinc/40/48/20/1369404820.db2.gz YMVUNWMKDUTGOX-TUYSUELWSA-N 2 1 346.519 3.334 20 0 EGADMP CC[N@H+](C)CCC(=O)N1CC[NH+]([C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC001113499277 1369467045 /nfs/dbraw/zinc/46/70/45/1369467045.db2.gz QXHOHSNMTQUGGD-SFHVURJKSA-N 2 1 345.531 3.357 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[NH+]([C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC001113499277 1369467048 /nfs/dbraw/zinc/46/70/48/1369467048.db2.gz QXHOHSNMTQUGGD-SFHVURJKSA-N 2 1 345.531 3.357 20 0 EGADMP CCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201052024 1369472297 /nfs/dbraw/zinc/47/22/97/1369472297.db2.gz DFABUAWNUQRFPM-IBGZPJMESA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001201398773 1369537334 /nfs/dbraw/zinc/53/73/34/1369537334.db2.gz ARZLPQRLQMHLHT-LJQANCHMSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001201508518 1369560323 /nfs/dbraw/zinc/56/03/23/1369560323.db2.gz GEGTUXQSVVGWGY-RNQOJCNYSA-N 2 1 330.520 3.104 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001201508518 1369560325 /nfs/dbraw/zinc/56/03/25/1369560325.db2.gz GEGTUXQSVVGWGY-RNQOJCNYSA-N 2 1 330.520 3.104 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001201508518 1369560328 /nfs/dbraw/zinc/56/03/28/1369560328.db2.gz GEGTUXQSVVGWGY-RNQOJCNYSA-N 2 1 330.520 3.104 20 0 EGADMP CC(C)n1nc(CN(C)C)c2c1CN(CCc1ccccc1)CC2 ZINC001201596257 1369585311 /nfs/dbraw/zinc/58/53/11/1369585311.db2.gz BKIRRAKZHLAFIZ-UHFFFAOYSA-N 2 1 326.488 3.126 20 0 EGADMP CNC(=O)C[N@H+]1CCCC12CC[NH+](CC[C@@H](C)CCC=C(C)C)CC2 ZINC001201974818 1369657197 /nfs/dbraw/zinc/65/71/97/1369657197.db2.gz FQNSAQNDKKRGLO-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001202496490 1369790157 /nfs/dbraw/zinc/79/01/57/1369790157.db2.gz SSUWBYOTDVRWME-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001202518450 1369797156 /nfs/dbraw/zinc/79/71/56/1369797156.db2.gz UYJFGXKIUXMDAY-SREVYHEPSA-N 2 1 335.536 3.045 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001202862964 1369910855 /nfs/dbraw/zinc/91/08/55/1369910855.db2.gz HYBJTKIXJWURTF-PSCPARJHSA-N 2 1 347.547 3.330 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001186975367 1388033743 /nfs/dbraw/zinc/03/37/43/1388033743.db2.gz MTEJDSCWXSPURE-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cn[nH]c3)C[C@H]21 ZINC001203091098 1369980123 /nfs/dbraw/zinc/98/01/23/1369980123.db2.gz UTOZKDLCWKOWEQ-CGTJXYLNSA-N 2 1 330.501 3.204 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cn[nH]c3)C[C@H]21 ZINC001203091098 1369980126 /nfs/dbraw/zinc/98/01/26/1369980126.db2.gz UTOZKDLCWKOWEQ-CGTJXYLNSA-N 2 1 330.501 3.204 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]21 ZINC001203091098 1369980129 /nfs/dbraw/zinc/98/01/29/1369980129.db2.gz UTOZKDLCWKOWEQ-CGTJXYLNSA-N 2 1 330.501 3.204 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]21 ZINC001203091098 1369980132 /nfs/dbraw/zinc/98/01/32/1369980132.db2.gz UTOZKDLCWKOWEQ-CGTJXYLNSA-N 2 1 330.501 3.204 20 0 EGADMP OCc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc1 ZINC001203187111 1370016367 /nfs/dbraw/zinc/01/63/67/1370016367.db2.gz JQPYKPPDOQEOST-UHFFFAOYSA-N 2 1 340.467 3.260 20 0 EGADMP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)o1 ZINC001203292009 1370065082 /nfs/dbraw/zinc/06/50/82/1370065082.db2.gz GZZBPMKCTBJFKN-QGZVFWFLSA-N 2 1 344.455 3.437 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001203313485 1370078144 /nfs/dbraw/zinc/07/81/44/1370078144.db2.gz RMXWWIWFAVMCGD-XLIONFOSSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC([NH2+]CCC2CC2)CC1)c1ccccc1 ZINC001203313204 1370078309 /nfs/dbraw/zinc/07/83/09/1370078309.db2.gz OEOKVFBTOOHTEJ-HXUWFJFHSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc2c(n1)CCC2 ZINC001203357129 1370096427 /nfs/dbraw/zinc/09/64/27/1370096427.db2.gz HAKKAMQVCAYIGV-XLIONFOSSA-N 2 1 335.495 3.428 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc2c(n1)CCC2 ZINC001203357129 1370096432 /nfs/dbraw/zinc/09/64/32/1370096432.db2.gz HAKKAMQVCAYIGV-XLIONFOSSA-N 2 1 335.495 3.428 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203652551 1370202149 /nfs/dbraw/zinc/20/21/49/1370202149.db2.gz VOFPNYZEOXSJHP-RBUKOAKNSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203791186 1370266064 /nfs/dbraw/zinc/26/60/64/1370266064.db2.gz DUWBOGYQQUBHTK-RTBURBONSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)CCC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203910092 1370310662 /nfs/dbraw/zinc/31/06/62/1370310662.db2.gz CDICKSMCDDGFIS-FQEVSTJZSA-N 2 1 345.531 3.306 20 0 EGADMP CCCCOc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001203969714 1370335424 /nfs/dbraw/zinc/33/54/24/1370335424.db2.gz CPNDKZIJBGMFKU-LEWJYISDSA-N 2 1 345.531 3.076 20 0 EGADMP COCC[C@@H]1CCCC[N@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204268251 1370427071 /nfs/dbraw/zinc/42/70/71/1370427071.db2.gz HCPZCHYQTRPXJP-IBGZPJMESA-N 2 1 334.504 3.408 20 0 EGADMP C[NH+](C)Cc1cccc(Nc2cccc(CC[NH+]3CCOCC3)c2)c1 ZINC001204365579 1370454682 /nfs/dbraw/zinc/45/46/82/1370454682.db2.gz DLHZPEPEISWKFA-UHFFFAOYSA-N 2 1 339.483 3.367 20 0 EGADMP CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC001115538387 1370535687 /nfs/dbraw/zinc/53/56/87/1370535687.db2.gz GKHBQZCWQQPMAC-KRWDZBQOSA-N 2 1 335.536 3.070 20 0 EGADMP COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001204665213 1370539795 /nfs/dbraw/zinc/53/97/95/1370539795.db2.gz CDQHZMYHGWQAHB-LJQANCHMSA-N 2 1 330.472 3.314 20 0 EGADMP COC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001204665213 1370539799 /nfs/dbraw/zinc/53/97/99/1370539799.db2.gz CDQHZMYHGWQAHB-LJQANCHMSA-N 2 1 330.472 3.314 20 0 EGADMP Cc1ccc(Oc2cccc(C[N@@H+]3CCO[C@H](CC[NH3+])C3)c2)cc1 ZINC001204756470 1370567339 /nfs/dbraw/zinc/56/73/39/1370567339.db2.gz PIKZSOADWFABED-HXUWFJFHSA-N 2 1 326.440 3.337 20 0 EGADMP Cc1ccc(Oc2cccc(C[N@H+]3CCO[C@H](CC[NH3+])C3)c2)cc1 ZINC001204756470 1370567345 /nfs/dbraw/zinc/56/73/45/1370567345.db2.gz PIKZSOADWFABED-HXUWFJFHSA-N 2 1 326.440 3.337 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115596593 1370597124 /nfs/dbraw/zinc/59/71/24/1370597124.db2.gz NVYJRHOXSDENFV-IBGZPJMESA-N 2 1 349.563 3.460 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115596428 1370597140 /nfs/dbraw/zinc/59/71/40/1370597140.db2.gz GQMZSZLIMZWMNE-LJQANCHMSA-N 2 1 349.563 3.460 20 0 EGADMP CCOC(=O)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC001204945444 1370612310 /nfs/dbraw/zinc/61/23/10/1370612310.db2.gz DJHRIQNTQYCQDB-MJGOQNOKSA-N 2 1 344.499 3.363 20 0 EGADMP CCOC(=O)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC001204945444 1370612314 /nfs/dbraw/zinc/61/23/14/1370612314.db2.gz DJHRIQNTQYCQDB-MJGOQNOKSA-N 2 1 344.499 3.363 20 0 EGADMP Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH+](C)Cc2cccs2)cn1 ZINC001204995364 1370623386 /nfs/dbraw/zinc/62/33/86/1370623386.db2.gz OUKOAGPEZJJKBJ-NZSAHSFTSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH+](C)Cc2cccs2)cn1 ZINC001204995364 1370623389 /nfs/dbraw/zinc/62/33/89/1370623389.db2.gz OUKOAGPEZJJKBJ-NZSAHSFTSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cc(C[NH+]2C[C@H]3[C@@H](C2)CCC[C@H]3[N@H+](C)Cc2cccs2)cn1 ZINC001204995364 1370623392 /nfs/dbraw/zinc/62/33/92/1370623392.db2.gz OUKOAGPEZJJKBJ-NZSAHSFTSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cc(C[NH+]2C[C@H]3[C@@H](C2)CCC[C@H]3[N@@H+](C)Cc2cccs2)cn1 ZINC001204995364 1370623394 /nfs/dbraw/zinc/62/33/94/1370623394.db2.gz OUKOAGPEZJJKBJ-NZSAHSFTSA-N 2 1 344.528 3.214 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCc2ccc(Br)cc2)C1 ZINC001205001921 1370624865 /nfs/dbraw/zinc/62/48/65/1370624865.db2.gz XQPHTYNPBOMNQK-OAHLLOKOSA-N 2 1 325.294 3.313 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001205008844 1370627057 /nfs/dbraw/zinc/62/70/57/1370627057.db2.gz FKNKIZRUZIJGTI-LBPRGKRZSA-N 2 1 336.277 3.362 20 0 EGADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc3nc(Br)sc3c2)CC1 ZINC001205124364 1370657819 /nfs/dbraw/zinc/65/78/19/1370657819.db2.gz PCEVUMZRVQXAQW-LLVKDONJSA-N 2 1 340.290 3.372 20 0 EGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3nc(Br)sc3c2)CC1 ZINC001205124364 1370657822 /nfs/dbraw/zinc/65/78/22/1370657822.db2.gz PCEVUMZRVQXAQW-LLVKDONJSA-N 2 1 340.290 3.372 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2sccc2Oc2ccccc2)CC1 ZINC001205228646 1370688857 /nfs/dbraw/zinc/68/88/57/1370688857.db2.gz GVCZWQPYXZJSBC-GOSISDBHSA-N 2 1 332.469 3.216 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2c(F)cccc2Oc2ccccc2)CC1 ZINC001205241215 1370692417 /nfs/dbraw/zinc/69/24/17/1370692417.db2.gz RTFFZJUYDUAJQQ-FQEVSTJZSA-N 2 1 344.430 3.294 20 0 EGADMP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205242396 1370693105 /nfs/dbraw/zinc/69/31/05/1370693105.db2.gz OGJZYSINQAXTHR-HCZHMGAMSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccc4[nH]ccc43)C2)C1 ZINC001205263978 1370699190 /nfs/dbraw/zinc/69/91/90/1370699190.db2.gz XCNLISBCTYPBRJ-OAQYLSRUSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccc4[nH]ccc43)C2)C1 ZINC001205263978 1370699192 /nfs/dbraw/zinc/69/91/92/1370699192.db2.gz XCNLISBCTYPBRJ-OAQYLSRUSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3cccc4[nH]ccc43)C2)C1 ZINC001205263978 1370699196 /nfs/dbraw/zinc/69/91/96/1370699196.db2.gz XCNLISBCTYPBRJ-OAQYLSRUSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)C1 ZINC001205263978 1370699199 /nfs/dbraw/zinc/69/91/99/1370699199.db2.gz XCNLISBCTYPBRJ-OAQYLSRUSA-N 2 1 341.499 3.491 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CC3CCCCC3)CCCCC2)C1 ZINC001115729332 1370710734 /nfs/dbraw/zinc/71/07/34/1370710734.db2.gz ATBBIQYVAQYUIY-SFHVURJKSA-N 2 1 349.563 3.317 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115730898 1370714042 /nfs/dbraw/zinc/71/40/42/1370714042.db2.gz UEXXENJCFMMBGH-SJORKVTESA-N 2 1 337.552 3.029 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C[C@H]1C[NH3+] ZINC001205306342 1370714958 /nfs/dbraw/zinc/71/49/58/1370714958.db2.gz VOORKRCBQGLNLM-DGCLKSJQSA-N 2 1 334.357 3.340 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc3cc(Br)ccc3n2)C[C@H]1C[NH3+] ZINC001205305870 1370715591 /nfs/dbraw/zinc/71/55/91/1370715591.db2.gz TUBFCMNIOXWJMJ-GXTWGEPZSA-N 2 1 348.288 3.414 20 0 EGADMP COc1cc(OC)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c2ccccc12 ZINC001205318346 1370720304 /nfs/dbraw/zinc/72/03/04/1370720304.db2.gz UJYYHMUTEGVXSA-HUUCEWRRSA-N 2 1 328.456 3.274 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001205340061 1370725832 /nfs/dbraw/zinc/72/58/32/1370725832.db2.gz QJFJBBIEQROVRM-QGZVFWFLSA-N 2 1 348.535 3.415 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001187298382 1388091001 /nfs/dbraw/zinc/09/10/01/1388091001.db2.gz FZSFFGMXEBVJFP-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001205420544 1370749508 /nfs/dbraw/zinc/74/95/08/1370749508.db2.gz ZMNDRPSQTIXLQB-HCZHMGAMSA-N 2 1 349.563 3.435 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCCCC1 ZINC001115769032 1370753341 /nfs/dbraw/zinc/75/33/41/1370753341.db2.gz SLJMISLMBZSHCI-QZTJIDSGSA-N 2 1 335.536 3.212 20 0 EGADMP CC[C@H](C)C[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205462180 1370763416 /nfs/dbraw/zinc/76/34/16/1370763416.db2.gz UURURBZLEYTSDQ-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001205483439 1370768642 /nfs/dbraw/zinc/76/86/42/1370768642.db2.gz DHXUUCVZKXHYHK-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CCc2ccc(Br)cc2)CC1 ZINC001205538892 1370784964 /nfs/dbraw/zinc/78/49/64/1370784964.db2.gz QWDLBGMCFHAYKM-OAHLLOKOSA-N 2 1 329.257 3.145 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205559940 1370790892 /nfs/dbraw/zinc/79/08/92/1370790892.db2.gz XLJUJHNZXZMRSG-HXUWFJFHSA-N 2 1 344.478 3.201 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC1 ZINC001205578438 1370797419 /nfs/dbraw/zinc/79/74/19/1370797419.db2.gz BYFDPGRUEFOIIV-KRWDZBQOSA-N 2 1 336.842 3.179 20 0 EGADMP c1cc2cc(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)ccc2[nH]1 ZINC001205576665 1370797737 /nfs/dbraw/zinc/79/77/37/1370797737.db2.gz AEBGODIVVWEDMA-UHFFFAOYSA-N 2 1 349.482 3.019 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1OCC1CC1 ZINC001205603558 1370807964 /nfs/dbraw/zinc/80/79/64/1370807964.db2.gz QGIUQDBCKKTOPX-LJQANCHMSA-N 2 1 336.451 3.137 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3F)nc2)CC[C@H]1C[NH3+] ZINC001205625948 1370816300 /nfs/dbraw/zinc/81/63/00/1370816300.db2.gz CUEQIZJFFXWTBC-ZBFHGGJFSA-N 2 1 328.435 3.090 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2sc(N3CCCC3)nc2Cl)CC[C@H]1C[NH3+] ZINC001205627572 1370817671 /nfs/dbraw/zinc/81/76/71/1370817671.db2.gz QVYYELORUHDDBV-STQMWFEESA-N 2 1 342.940 3.204 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2Cl)CC[C@H]1C[NH3+] ZINC001205637404 1370821977 /nfs/dbraw/zinc/82/19/77/1370821977.db2.gz GVUUDQSINJKMGT-GJZGRUSLSA-N 2 1 332.879 3.333 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cc(Cl)cnc2Br)CC[C@H]1C[NH3+] ZINC001205639497 1370822716 /nfs/dbraw/zinc/82/27/16/1370822716.db2.gz ZNEKZJSFGLGTIP-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc(Cl)cnc2Br)CC[C@H]1C[NH3+] ZINC001205639497 1370822718 /nfs/dbraw/zinc/82/27/18/1370822718.db2.gz ZNEKZJSFGLGTIP-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ncc(Cl)cc2Br)CC[C@H]1C[NH3+] ZINC001205651518 1370828730 /nfs/dbraw/zinc/82/87/30/1370828730.db2.gz GDCKMYHZBVMBOS-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ncc(Cl)cc2Br)CC[C@H]1C[NH3+] ZINC001205651518 1370828735 /nfs/dbraw/zinc/82/87/35/1370828735.db2.gz GDCKMYHZBVMBOS-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205654195 1370829677 /nfs/dbraw/zinc/82/96/77/1370829677.db2.gz WRGHXXNJONKIGM-GDBMZVCRSA-N 2 1 332.879 3.333 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc1OC(F)(F)F ZINC001205663345 1370833638 /nfs/dbraw/zinc/83/36/38/1370833638.db2.gz HWQJALLBWUQPSC-TZMCWYRMSA-N 2 1 346.393 3.401 20 0 EGADMP C[N@H+]1CCc2cc(-c3ccc(CC[NH+]4CCOCC4)cc3)ccc2C1 ZINC001205671042 1370838066 /nfs/dbraw/zinc/83/80/66/1370838066.db2.gz BKPBPIKJDJWJGY-UHFFFAOYSA-N 2 1 336.479 3.216 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001205688377 1370843252 /nfs/dbraw/zinc/84/32/52/1370843252.db2.gz GUUUXNWLVISVTK-FQEVSTJZSA-N 2 1 344.430 3.294 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001205734559 1370854362 /nfs/dbraw/zinc/85/43/62/1370854362.db2.gz FGKFMBLTRFEHKE-LJQANCHMSA-N 2 1 345.874 3.078 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)no2)cc1 ZINC001205996714 1370933773 /nfs/dbraw/zinc/93/37/73/1370933773.db2.gz XVZXYHLKHFYGFF-ZBFHGGJFSA-N 2 1 329.444 3.157 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Br)c1 ZINC001206003254 1370935659 /nfs/dbraw/zinc/93/56/59/1370935659.db2.gz GDPLHYZLZPIESF-QWHCGFSZSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc(F)cc(Br)c2)CCC[C@@H]1C[NH3+] ZINC001206003680 1370935748 /nfs/dbraw/zinc/93/57/48/1370935748.db2.gz LATWMKIVZXSGFH-WCQYABFASA-N 2 1 329.257 3.395 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CCC[C@H]1C[NH3+] ZINC001206004148 1370935802 /nfs/dbraw/zinc/93/58/02/1370935802.db2.gz QSUVPYMAXAXRKN-QAPCUYQASA-N 2 1 332.488 3.449 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc(OCc3ccccc3)ccn2)CCC[C@@H]1C[NH3+] ZINC001206013726 1370939303 /nfs/dbraw/zinc/93/93/03/1370939303.db2.gz TZXJNMGSQMYJKL-PKOBYXMFSA-N 2 1 339.483 3.467 20 0 EGADMP CCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001206023981 1370941102 /nfs/dbraw/zinc/94/11/02/1370941102.db2.gz VPTPLZKJDWLDNI-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001206023192 1370941521 /nfs/dbraw/zinc/94/15/21/1370941521.db2.gz DOGONAJMVDRFTA-GDBMZVCRSA-N 2 1 332.879 3.333 20 0 EGADMP C[C@H]1C[N@@H+](Cc2csc(-c3ccc(O)cc3)n2)CCC[C@H]1C[NH3+] ZINC001206024590 1370942361 /nfs/dbraw/zinc/94/23/61/1370942361.db2.gz KJJLKZPXDSOVKA-ZFWWWQNUSA-N 2 1 331.485 3.323 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c2c(OC)cccc12 ZINC001206166638 1370977238 /nfs/dbraw/zinc/97/72/38/1370977238.db2.gz TWHRKWRHVCPJNQ-HZPDHXFCSA-N 2 1 332.419 3.118 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(Cl)c(Br)n2)CC1 ZINC001206318551 1371020165 /nfs/dbraw/zinc/02/01/65/1371020165.db2.gz RDMDCMHGZHWTPD-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Cl)c(Br)n2)CC1 ZINC001206318551 1371020172 /nfs/dbraw/zinc/02/01/72/1371020172.db2.gz RDMDCMHGZHWTPD-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CCC(C[NH2+]CCC3CCCC3)CC2)C1 ZINC001206287858 1371013424 /nfs/dbraw/zinc/01/34/24/1371013424.db2.gz KTDLAOSOBFKXLK-UHFFFAOYSA-N 2 1 349.563 3.127 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)no2)cc1 ZINC001206303066 1371016155 /nfs/dbraw/zinc/01/61/55/1371016155.db2.gz BANWDUHIPJGLAB-IBGZPJMESA-N 2 1 329.444 3.301 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ncc1Br ZINC001206318274 1371019716 /nfs/dbraw/zinc/01/97/16/1371019716.db2.gz OXMJZXIQGAONKP-HNNXBMFYSA-N 2 1 326.282 3.103 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccnc(Cl)c2Br)CC1 ZINC001206319143 1371020371 /nfs/dbraw/zinc/02/03/71/1371020371.db2.gz YEDARMWWMUAGDX-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccnc(Cl)c2Br)CC1 ZINC001206319143 1371020373 /nfs/dbraw/zinc/02/03/73/1371020373.db2.gz YEDARMWWMUAGDX-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2cnc(Cl)cc2Br)CC1 ZINC001206317176 1371020496 /nfs/dbraw/zinc/02/04/96/1371020496.db2.gz CQFMOFRPKVKULA-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cnc(Cl)cc2Br)CC1 ZINC001206317176 1371020502 /nfs/dbraw/zinc/02/05/02/1371020502.db2.gz CQFMOFRPKVKULA-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP COc1cnccc1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001206479937 1371067325 /nfs/dbraw/zinc/06/73/25/1371067325.db2.gz BCQUVNOPRPDGBM-UHFFFAOYSA-N 2 1 339.483 3.434 20 0 EGADMP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206481776 1371068719 /nfs/dbraw/zinc/06/87/19/1371068719.db2.gz KXJXNYXGGBORTL-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@]1(C[NH3+])CCCCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001206541763 1371087722 /nfs/dbraw/zinc/08/77/22/1371087722.db2.gz JRWLRFCQHVEJIX-NHCUHLMSSA-N 2 1 329.532 3.350 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206548886 1371090192 /nfs/dbraw/zinc/09/01/92/1371090192.db2.gz RUEWYRNRNDKXHU-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCOC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206555991 1371092152 /nfs/dbraw/zinc/09/21/52/1371092152.db2.gz LSAQJLGEBDTKTO-HXUWFJFHSA-N 2 1 343.471 3.296 20 0 EGADMP CCOC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206555991 1371092155 /nfs/dbraw/zinc/09/21/55/1371092155.db2.gz LSAQJLGEBDTKTO-HXUWFJFHSA-N 2 1 343.471 3.296 20 0 EGADMP Cn1c2ccccc2c(Cl)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1=O ZINC001206564447 1371095550 /nfs/dbraw/zinc/09/55/50/1371095550.db2.gz NXARVAGAQWMTDF-LJQANCHMSA-N 2 1 347.890 3.143 20 0 EGADMP CCOC(=O)c1c(C)[nH]c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1C ZINC001206580086 1371099217 /nfs/dbraw/zinc/09/92/17/1371099217.db2.gz CCCONZWKJQYCIY-MRXNPFEDSA-N 2 1 335.492 3.161 20 0 EGADMP COC(=O)c1ccc2c(C[N@@H+](C(C)C)[C@H]3CCC[NH2+]CC3)c[nH]c2c1 ZINC001206590999 1371102530 /nfs/dbraw/zinc/10/25/30/1371102530.db2.gz OYVIQLZFYGMZTK-KRWDZBQOSA-N 2 1 343.471 3.307 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC001206648063 1371118475 /nfs/dbraw/zinc/11/84/75/1371118475.db2.gz LMCFFLOUKLWVDI-SFHVURJKSA-N 2 1 325.456 3.221 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC001206648063 1371118483 /nfs/dbraw/zinc/11/84/83/1371118483.db2.gz LMCFFLOUKLWVDI-SFHVURJKSA-N 2 1 325.456 3.221 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c2c(OC)cccc12 ZINC001206767740 1371157694 /nfs/dbraw/zinc/15/76/94/1371157694.db2.gz DXAOGIIGECRYPS-HUUCEWRRSA-N 2 1 328.456 3.416 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]CC2=CCCCC2)CC1 ZINC001206889411 1371209588 /nfs/dbraw/zinc/20/95/88/1371209588.db2.gz QCJNODSPJATSRU-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2scnc2C)CC1 ZINC001206992138 1371261149 /nfs/dbraw/zinc/26/11/49/1371261149.db2.gz REHJSPAQETUDAN-UHFFFAOYSA-N 2 1 338.565 3.081 20 0 EGADMP Fc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001207038882 1371274630 /nfs/dbraw/zinc/27/46/30/1371274630.db2.gz OGFQHEFSDZRFNJ-UHFFFAOYSA-N 2 1 340.446 3.104 20 0 EGADMP c1[nH+]c(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)n2ccccc12 ZINC001207057520 1371279709 /nfs/dbraw/zinc/27/97/09/1371279709.db2.gz NZJCRWDJBPGBJY-JOCHJYFZSA-N 2 1 346.478 3.432 20 0 EGADMP c1[nH+]c(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n2ccccc12 ZINC001207057520 1371279713 /nfs/dbraw/zinc/27/97/13/1371279713.db2.gz NZJCRWDJBPGBJY-JOCHJYFZSA-N 2 1 346.478 3.432 20 0 EGADMP COc1ccccc1N1CCC([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001119238028 1371288363 /nfs/dbraw/zinc/28/83/63/1371288363.db2.gz VUQQIYMQFWHPLH-ROUUACIJSA-N 2 1 331.504 3.126 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001207232443 1371336569 /nfs/dbraw/zinc/33/65/69/1371336569.db2.gz VBHGSJUBWLEVJW-RUBBHVMPSA-N 2 1 349.544 3.216 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001207232443 1371336571 /nfs/dbraw/zinc/33/65/71/1371336571.db2.gz VBHGSJUBWLEVJW-RUBBHVMPSA-N 2 1 349.544 3.216 20 0 EGADMP C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207278928 1371349134 /nfs/dbraw/zinc/34/91/34/1371349134.db2.gz HDZYVAMSLJIGLE-HOTGVXAUSA-N 2 1 341.540 3.199 20 0 EGADMP COC(=O)[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)[C@@H](c2ccccc2)C1 ZINC001207288254 1371351636 /nfs/dbraw/zinc/35/16/36/1371351636.db2.gz LRASNZNOMHCVEW-ZWKOTPCHSA-N 2 1 332.488 3.201 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)[C@@H](c2ccccc2)C1 ZINC001207288254 1371351638 /nfs/dbraw/zinc/35/16/38/1371351638.db2.gz LRASNZNOMHCVEW-ZWKOTPCHSA-N 2 1 332.488 3.201 20 0 EGADMP OC[C@@]1(F)CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207286860 1371351866 /nfs/dbraw/zinc/35/18/66/1371351866.db2.gz OFTPLTJTYCJUSL-HXUWFJFHSA-N 2 1 334.479 3.085 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207291874 1371352808 /nfs/dbraw/zinc/35/28/08/1371352808.db2.gz DLMUKKMHGGGIFY-HXUWFJFHSA-N 2 1 344.499 3.174 20 0 EGADMP O=C1CCC[C@@H]2C[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@H]12 ZINC001207293937 1371354361 /nfs/dbraw/zinc/35/43/61/1371354361.db2.gz CXZZRLSSVOPQEB-UXHICEINSA-N 2 1 326.484 3.200 20 0 EGADMP CCC[N@H+](CCC[NH+](C)C)CCc1c(Cl)nc(C)nc1Cl ZINC001207341496 1371365507 /nfs/dbraw/zinc/36/55/07/1371365507.db2.gz QFUYXPPRIPOMFP-UHFFFAOYSA-N 2 1 333.307 3.298 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)CCc1c(Cl)nc(C)nc1Cl ZINC001207341496 1371365510 /nfs/dbraw/zinc/36/55/10/1371365510.db2.gz QFUYXPPRIPOMFP-UHFFFAOYSA-N 2 1 333.307 3.298 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC001207399867 1371385050 /nfs/dbraw/zinc/38/50/50/1371385050.db2.gz XOPHCWNVBQZUOP-WOJBJXKFSA-N 2 1 344.499 3.140 20 0 EGADMP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)[N@H+]1CCC[C@H](C)C1 ZINC001119700955 1371390799 /nfs/dbraw/zinc/39/07/99/1371390799.db2.gz CHMBNASJGIRNAM-DLBZAZTESA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CC[C@@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001207487828 1371410578 /nfs/dbraw/zinc/41/05/78/1371410578.db2.gz UAVJLDIKWZYTGV-QFIPXVFZSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC(CCN2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001207487828 1371410581 /nfs/dbraw/zinc/41/05/81/1371410581.db2.gz UAVJLDIKWZYTGV-QFIPXVFZSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC(CCN2CC[C@@]3(CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001207487828 1371410584 /nfs/dbraw/zinc/41/05/84/1371410584.db2.gz UAVJLDIKWZYTGV-QFIPXVFZSA-N 2 1 341.543 3.459 20 0 EGADMP C[N@@H+](CCC1CC[NH+](C)CC1)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001207487800 1371410875 /nfs/dbraw/zinc/41/08/75/1371410875.db2.gz SAFJNRYZQZPFSD-KRWDZBQOSA-N 2 1 339.524 3.050 20 0 EGADMP Cc1cccc(CC[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001207533983 1371427377 /nfs/dbraw/zinc/42/73/77/1371427377.db2.gz HHDSIROHLJBWNN-NRFANRHFSA-N 2 1 330.516 3.360 20 0 EGADMP Cc1cccc(CC[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001207533983 1371427378 /nfs/dbraw/zinc/42/73/78/1371427378.db2.gz HHDSIROHLJBWNN-NRFANRHFSA-N 2 1 330.516 3.360 20 0 EGADMP Cc1cccc(CC[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001207533983 1371427379 /nfs/dbraw/zinc/42/73/79/1371427379.db2.gz HHDSIROHLJBWNN-NRFANRHFSA-N 2 1 330.516 3.360 20 0 EGADMP Cc1cccc(CC[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001207533983 1371427380 /nfs/dbraw/zinc/42/73/80/1371427380.db2.gz HHDSIROHLJBWNN-NRFANRHFSA-N 2 1 330.516 3.360 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540726 1371430240 /nfs/dbraw/zinc/43/02/40/1371430240.db2.gz BQOIUXLCRFGMFS-FJLVLMHFSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001207540726 1371430243 /nfs/dbraw/zinc/43/02/43/1371430243.db2.gz BQOIUXLCRFGMFS-FJLVLMHFSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001207540726 1371430246 /nfs/dbraw/zinc/43/02/46/1371430246.db2.gz BQOIUXLCRFGMFS-FJLVLMHFSA-N 2 1 347.547 3.186 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563351 1371435950 /nfs/dbraw/zinc/43/59/50/1371435950.db2.gz QFKAUXDVMXEPOS-AHRSYUTCSA-N 2 1 343.515 3.059 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207563351 1371435953 /nfs/dbraw/zinc/43/59/53/1371435953.db2.gz QFKAUXDVMXEPOS-AHRSYUTCSA-N 2 1 343.515 3.059 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207563351 1371435955 /nfs/dbraw/zinc/43/59/55/1371435955.db2.gz QFKAUXDVMXEPOS-AHRSYUTCSA-N 2 1 343.515 3.059 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3c(Cl)nc4ccccn43)C[C@@H]2C1 ZINC001119990767 1371445399 /nfs/dbraw/zinc/44/53/99/1371445399.db2.gz YNEATYBWKLUPBK-SOUVJXGZSA-N 2 1 332.879 3.150 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001120046207 1371468138 /nfs/dbraw/zinc/46/81/38/1371468138.db2.gz QXLOVQFUMRGYPV-UHFFFAOYSA-N 2 1 337.552 3.317 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3csc(C(F)(F)F)n3)C[C@@H]2C1 ZINC001120070898 1371477645 /nfs/dbraw/zinc/47/76/45/1371477645.db2.gz CTPNJFKMHFMGJD-NTZNESFSSA-N 2 1 333.423 3.324 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(C(F)(F)F)n3)C[C@@H]2C1 ZINC001120070898 1371477648 /nfs/dbraw/zinc/47/76/48/1371477648.db2.gz CTPNJFKMHFMGJD-NTZNESFSSA-N 2 1 333.423 3.324 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207790197 1371504854 /nfs/dbraw/zinc/50/48/54/1371504854.db2.gz MZSDXOUGILAESB-LZLYRXPVSA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001207790197 1371504857 /nfs/dbraw/zinc/50/48/57/1371504857.db2.gz MZSDXOUGILAESB-LZLYRXPVSA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001207790197 1371504859 /nfs/dbraw/zinc/50/48/59/1371504859.db2.gz MZSDXOUGILAESB-LZLYRXPVSA-N 2 1 337.552 3.122 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CCC2CC2)C1 ZINC001120403199 1371563206 /nfs/dbraw/zinc/56/32/06/1371563206.db2.gz WISDPPQDFGZIIX-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CCC2CC2)C1 ZINC001120403199 1371563207 /nfs/dbraw/zinc/56/32/07/1371563207.db2.gz WISDPPQDFGZIIX-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CCC2CC2)C1 ZINC001120403199 1371563212 /nfs/dbraw/zinc/56/32/12/1371563212.db2.gz WISDPPQDFGZIIX-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001120412050 1371564392 /nfs/dbraw/zinc/56/43/92/1371564392.db2.gz DFECTULDUWZOOO-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120421879 1371569400 /nfs/dbraw/zinc/56/94/00/1371569400.db2.gz FUWGOCPWZBSCRX-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CCC(C)C)C1 ZINC001120440831 1371578141 /nfs/dbraw/zinc/57/81/41/1371578141.db2.gz UDCYATMOQXWSMB-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120459998 1371584382 /nfs/dbraw/zinc/58/43/82/1371584382.db2.gz OMUKOEDPZPBNBZ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](CCCn2cccn2)CC1 ZINC001208084387 1371591006 /nfs/dbraw/zinc/59/10/06/1371591006.db2.gz QJZVYGDMEZZTMO-UHFFFAOYSA-N 2 1 330.451 3.009 20 0 EGADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](CCCn2cccn2)CC1 ZINC001208084387 1371591010 /nfs/dbraw/zinc/59/10/10/1371591010.db2.gz QJZVYGDMEZZTMO-UHFFFAOYSA-N 2 1 330.451 3.009 20 0 EGADMP C[NH+](C)C[C@H](C[NH2+]C[C@@H](O)c1ccccc1)c1ccc(Cl)cc1 ZINC001120512540 1371595920 /nfs/dbraw/zinc/59/59/20/1371595920.db2.gz DPPYEIMDHXZYTR-PKOBYXMFSA-N 2 1 332.875 3.308 20 0 EGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208105651 1371597160 /nfs/dbraw/zinc/59/71/60/1371597160.db2.gz ARLCBGHCTOBLPU-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+](CC1(C)CC[NH+](C)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001208112832 1371598486 /nfs/dbraw/zinc/59/84/86/1371598486.db2.gz ZNCWMVRCMVCFOW-FQEVSTJZSA-N 2 1 329.532 3.315 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208128809 1371604474 /nfs/dbraw/zinc/60/44/74/1371604474.db2.gz IDIIJAWWDWAFTE-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208128809 1371604475 /nfs/dbraw/zinc/60/44/75/1371604475.db2.gz IDIIJAWWDWAFTE-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208128809 1371604479 /nfs/dbraw/zinc/60/44/79/1371604479.db2.gz IDIIJAWWDWAFTE-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331548 1371720489 /nfs/dbraw/zinc/72/04/89/1371720489.db2.gz UAOANNGVAUULBB-WYNBNGFRSA-N 2 1 335.536 3.186 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001208447074 1371768670 /nfs/dbraw/zinc/76/86/70/1371768670.db2.gz HCQCPHWXACLTBH-YJBOKZPZSA-N 2 1 349.494 3.198 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001208447071 1371768925 /nfs/dbraw/zinc/76/89/25/1371768925.db2.gz HCQCPHWXACLTBH-CRAIPNDOSA-N 2 1 349.494 3.198 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001208453387 1371771866 /nfs/dbraw/zinc/77/18/66/1371771866.db2.gz GCVIBTJPLJHZIX-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001208453886 1371772951 /nfs/dbraw/zinc/77/29/51/1371772951.db2.gz QUQOUFXGLROOBQ-LJQANCHMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1C)[NH+](CC)CC ZINC001208574576 1371823650 /nfs/dbraw/zinc/82/36/50/1371823650.db2.gz AHGOUXZZCOUJHW-QRQLOZEOSA-N 2 1 349.563 3.124 20 0 EGADMP CC[NH+]1CCC(N(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208588597 1371829534 /nfs/dbraw/zinc/82/95/34/1371829534.db2.gz JEMQANFQYVLRIR-NRFANRHFSA-N 2 1 329.532 3.457 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)C1 ZINC001208606740 1371838435 /nfs/dbraw/zinc/83/84/35/1371838435.db2.gz GUCUPSPOOJEXNO-SESVDKBCSA-N 2 1 328.500 3.367 20 0 EGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)C1 ZINC001208606740 1371838438 /nfs/dbraw/zinc/83/84/38/1371838438.db2.gz GUCUPSPOOJEXNO-SESVDKBCSA-N 2 1 328.500 3.367 20 0 EGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)C1 ZINC001208606740 1371838440 /nfs/dbraw/zinc/83/84/40/1371838440.db2.gz GUCUPSPOOJEXNO-SESVDKBCSA-N 2 1 328.500 3.367 20 0 EGADMP Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001208613066 1371839225 /nfs/dbraw/zinc/83/92/25/1371839225.db2.gz OPQPBBBSDOUGCX-KAKFPZCNSA-N 2 1 345.535 3.220 20 0 EGADMP Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001208613066 1371839232 /nfs/dbraw/zinc/83/92/32/1371839232.db2.gz OPQPBBBSDOUGCX-KAKFPZCNSA-N 2 1 345.535 3.220 20 0 EGADMP Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC[N@H+](C)C1 ZINC001208613066 1371839238 /nfs/dbraw/zinc/83/92/38/1371839238.db2.gz OPQPBBBSDOUGCX-KAKFPZCNSA-N 2 1 345.535 3.220 20 0 EGADMP Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC[N@@H+](C)C1 ZINC001208613066 1371839244 /nfs/dbraw/zinc/83/92/44/1371839244.db2.gz OPQPBBBSDOUGCX-KAKFPZCNSA-N 2 1 345.535 3.220 20 0 EGADMP c1cncc(C[NH+]2CCO[C@@H]3C[N@@H+](CCC4CCCC4)CC[C@@H]3C2)c1 ZINC001208694907 1371864885 /nfs/dbraw/zinc/86/48/85/1371864885.db2.gz DMKKKCMUBSAXOB-NHCUHLMSSA-N 2 1 343.515 3.185 20 0 EGADMP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121232340 1371902148 /nfs/dbraw/zinc/90/21/48/1371902148.db2.gz DYXAQMBDAFKUFP-FCOWATRHSA-N 2 1 347.547 3.233 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121234331 1371903116 /nfs/dbraw/zinc/90/31/16/1371903116.db2.gz YHYJORSOOARWBN-FCOWATRHSA-N 2 1 349.563 3.457 20 0 EGADMP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)C1 ZINC001121254956 1371909701 /nfs/dbraw/zinc/90/97/01/1371909701.db2.gz HWZVBTMDAUWKMJ-SWGIKSQZSA-N 2 1 344.503 3.111 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001121261657 1371912318 /nfs/dbraw/zinc/91/23/18/1371912318.db2.gz ZLUMJENDIYCWGA-GEUNIFFNSA-N 2 1 349.563 3.314 20 0 EGADMP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001121260862 1371912344 /nfs/dbraw/zinc/91/23/44/1371912344.db2.gz KNHHRXQQUYTAMD-FKIUZYAESA-N 2 1 347.547 3.234 20 0 EGADMP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001121295277 1371926265 /nfs/dbraw/zinc/92/62/65/1371926265.db2.gz XYIWWSHVMBLYQX-QAELIBMJSA-N 2 1 335.536 3.068 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001121348342 1371945850 /nfs/dbraw/zinc/94/58/50/1371945850.db2.gz WHCMJKULYXTURO-RBUNFDSBSA-N 2 1 349.563 3.170 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CC[C@H]4OCCC[C@@H]4C3)C2)cc1 ZINC001208932333 1371950361 /nfs/dbraw/zinc/95/03/61/1371950361.db2.gz OTMPYPLJGLLYGE-PWRODBHTSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC[C@H]4OCCC[C@@H]4C3)C2)cc1 ZINC001208932333 1371950374 /nfs/dbraw/zinc/95/03/74/1371950374.db2.gz OTMPYPLJGLLYGE-PWRODBHTSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)C2)cc1 ZINC001208932333 1371950378 /nfs/dbraw/zinc/95/03/78/1371950378.db2.gz OTMPYPLJGLLYGE-PWRODBHTSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CC[C@H]4OCCC[C@@H]4C3)C2)cc1 ZINC001208932333 1371950383 /nfs/dbraw/zinc/95/03/83/1371950383.db2.gz OTMPYPLJGLLYGE-PWRODBHTSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH+]4CCCC[C@H]4C3)C2)cc1 ZINC001208936203 1371952227 /nfs/dbraw/zinc/95/22/27/1371952227.db2.gz MMPSSTAXOXICBK-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](CN3CC[N@@H+]4CCCC[C@H]4C3)C2)cc1 ZINC001208936203 1371952235 /nfs/dbraw/zinc/95/22/35/1371952235.db2.gz MMPSSTAXOXICBK-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](CN3CC[N@H+]4CCCC[C@H]4C3)C2)cc1 ZINC001208936203 1371952238 /nfs/dbraw/zinc/95/22/38/1371952238.db2.gz MMPSSTAXOXICBK-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP COC(=O)[C@H]1CC[C@@H](C)[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208936739 1371953402 /nfs/dbraw/zinc/95/34/02/1371953402.db2.gz PQJKBMIGYBUZEU-HOJAQTOUSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@H]1CC[C@@H](C)[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208936739 1371953406 /nfs/dbraw/zinc/95/34/06/1371953406.db2.gz PQJKBMIGYBUZEU-HOJAQTOUSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@H]1CC[C@@H](C)[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208936739 1371953411 /nfs/dbraw/zinc/95/34/11/1371953411.db2.gz PQJKBMIGYBUZEU-HOJAQTOUSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@H]1CC[C@@H](C)[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208936739 1371953413 /nfs/dbraw/zinc/95/34/13/1371953413.db2.gz PQJKBMIGYBUZEU-HOJAQTOUSA-N 2 1 344.499 3.172 20 0 EGADMP C[N@@H+](C1CC1)[C@@H]1CCN(C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208942906 1371957349 /nfs/dbraw/zinc/95/73/49/1371957349.db2.gz JXMWGCLBYVHEIJ-TZIWHRDSSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+](C1CC1)[C@@H]1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208942906 1371957353 /nfs/dbraw/zinc/95/73/53/1371957353.db2.gz JXMWGCLBYVHEIJ-TZIWHRDSSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+](C1CC1)[C@@H]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208942906 1371957357 /nfs/dbraw/zinc/95/73/57/1371957357.db2.gz JXMWGCLBYVHEIJ-TZIWHRDSSA-N 2 1 327.516 3.067 20 0 EGADMP CCOC(=O)C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208943224 1371957771 /nfs/dbraw/zinc/95/77/71/1371957771.db2.gz SCYAFGDSNXAORB-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)C[C@@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208943224 1371957777 /nfs/dbraw/zinc/95/77/77/1371957777.db2.gz SCYAFGDSNXAORB-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)C[C@@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208943224 1371957780 /nfs/dbraw/zinc/95/77/80/1371957780.db2.gz SCYAFGDSNXAORB-VQTJNVASSA-N 2 1 344.499 3.174 20 0 EGADMP C[N@H+]1CCN(C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C2(CCCC2)C1 ZINC001208946354 1371959294 /nfs/dbraw/zinc/95/92/94/1371959294.db2.gz UXPVCNKPJVOUBA-OAQYLSRUSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C2(CCCC2)C1 ZINC001208946354 1371959296 /nfs/dbraw/zinc/95/92/96/1371959296.db2.gz UXPVCNKPJVOUBA-OAQYLSRUSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C2(CCCC2)C1 ZINC001208946354 1371959300 /nfs/dbraw/zinc/95/93/00/1371959300.db2.gz UXPVCNKPJVOUBA-OAQYLSRUSA-N 2 1 341.543 3.459 20 0 EGADMP F[C@H]1COC2(C1)CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208952979 1371960766 /nfs/dbraw/zinc/96/07/66/1371960766.db2.gz NBLOXYPGPLVBIA-RBUKOAKNSA-N 2 1 332.463 3.102 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](CN3CCCC[C@@H]3C[NH+]3CCCC3)C2)cc1 ZINC001208950287 1371961209 /nfs/dbraw/zinc/96/12/09/1371961209.db2.gz RLBKPFFSURCFOV-FGZHOGPDSA-N 2 1 341.543 3.459 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209133477 1372009788 /nfs/dbraw/zinc/00/97/88/1372009788.db2.gz FDOFBKFBKZSKNN-IVCWSTDESA-N 2 1 349.563 3.434 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(CC)CC)C2)C1 ZINC001209205706 1372037959 /nfs/dbraw/zinc/03/79/59/1372037959.db2.gz RGHMVVBZYOIAKQ-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857894 1388178615 /nfs/dbraw/zinc/17/86/15/1388178615.db2.gz UQFZGXSPECLOKO-HWYAZIHESA-N 2 1 347.547 3.138 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001187857894 1388178619 /nfs/dbraw/zinc/17/86/19/1388178619.db2.gz UQFZGXSPECLOKO-HWYAZIHESA-N 2 1 347.547 3.138 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001187857894 1388178624 /nfs/dbraw/zinc/17/86/24/1388178624.db2.gz UQFZGXSPECLOKO-HWYAZIHESA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001121895281 1372116819 /nfs/dbraw/zinc/11/68/19/1372116819.db2.gz DLAOSVXHWJHJEF-JGQKGBITSA-N 2 1 347.547 3.066 20 0 EGADMP CC(C)C[C@](C)(C[NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001121916358 1372122173 /nfs/dbraw/zinc/12/21/73/1372122173.db2.gz WPKHWWLOLPTFRN-QWFCFKBJSA-N 2 1 337.552 3.111 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c3ccccc3nn2C)CC1 ZINC001209531644 1372129448 /nfs/dbraw/zinc/12/94/48/1372129448.db2.gz ISLDMPWNWPUTHC-UHFFFAOYSA-N 2 1 335.455 3.016 20 0 EGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cncs3)C[C@@H]21 ZINC001209549459 1372133675 /nfs/dbraw/zinc/13/36/75/1372133675.db2.gz USICJKNUXTWPJM-ZYSHUDEJSA-N 2 1 342.512 3.271 20 0 EGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cncs3)C[C@@H]21 ZINC001209549459 1372133681 /nfs/dbraw/zinc/13/36/81/1372133681.db2.gz USICJKNUXTWPJM-ZYSHUDEJSA-N 2 1 342.512 3.271 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001122024094 1372155116 /nfs/dbraw/zinc/15/51/16/1372155116.db2.gz XLJGEHZEYQKVIA-UHFFFAOYSA-N 2 1 337.552 3.172 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209642735 1372159950 /nfs/dbraw/zinc/15/99/50/1372159950.db2.gz OZNVPYXDBZLVNT-ATZDWAIDSA-N 2 1 349.494 3.055 20 0 EGADMP COc1ccc2oc(C[NH+]3CCN(c4cc[nH+]cc4C)CC3)cc2c1 ZINC001209773773 1372191659 /nfs/dbraw/zinc/19/16/59/1372191659.db2.gz KMMWLFWDXLJTCJ-UHFFFAOYSA-N 2 1 337.423 3.467 20 0 EGADMP CCCCCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001122231827 1372207285 /nfs/dbraw/zinc/20/72/85/1372207285.db2.gz ZOROYROLOKGGHM-BZQJJPTISA-N 2 1 349.563 3.457 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001122249889 1372211712 /nfs/dbraw/zinc/21/17/12/1372211712.db2.gz ZZBWNZSVZVDYTL-UFQJCFOOSA-N 2 1 337.552 3.026 20 0 EGADMP Fc1c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cccc1C(F)(F)F ZINC001210266665 1372310111 /nfs/dbraw/zinc/31/01/11/1372310111.db2.gz PJXRXLDCLLVVJE-UHFFFAOYSA-N 2 1 340.324 3.393 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001210493737 1372366176 /nfs/dbraw/zinc/36/61/76/1372366176.db2.gz OPMUGTLYZQDQOU-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001210782288 1372425275 /nfs/dbraw/zinc/42/52/75/1372425275.db2.gz KIFLUKBSFHNDOV-OALUTQOASA-N 2 1 345.531 3.369 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001210788674 1372426838 /nfs/dbraw/zinc/42/68/38/1372426838.db2.gz HNWCAMOBDXHILS-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001210796407 1372428208 /nfs/dbraw/zinc/42/82/08/1372428208.db2.gz FXVZERXVIBCBPX-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094573 1372484727 /nfs/dbraw/zinc/48/47/27/1372484727.db2.gz GQQZAQKLGMOYHO-RTBURBONSA-N 2 1 337.552 3.269 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211268339 1372516643 /nfs/dbraw/zinc/51/66/43/1372516643.db2.gz IQYPNPOUGVNOLD-PMACEKPBSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H]([NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1)c1ccc(F)cc1 ZINC001211286475 1372521327 /nfs/dbraw/zinc/52/13/27/1372521327.db2.gz UWDHTMMTJHDZNV-OALUTQOASA-N 2 1 349.494 3.198 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444345 1372560429 /nfs/dbraw/zinc/56/04/29/1372560429.db2.gz WANBIFODALPUPH-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211625668 1372592370 /nfs/dbraw/zinc/59/23/70/1372592370.db2.gz RBBPHFDTONOYGK-RBUKOAKNSA-N 2 1 345.531 3.101 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cnc3c(c2)CCCC3)no1 ZINC001212145216 1372663800 /nfs/dbraw/zinc/66/38/00/1372663800.db2.gz ONMHSNCYWFHKGC-INIZCTEOSA-N 2 1 343.475 3.179 20 0 EGADMP CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001215020221 1373157904 /nfs/dbraw/zinc/15/79/04/1373157904.db2.gz PEKLZVPUXABHGH-LZLYRXPVSA-N 2 1 337.552 3.122 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+][C@H](C)c1ccccc1C ZINC001127685833 1373161755 /nfs/dbraw/zinc/16/17/55/1373161755.db2.gz VMBDWJXLXJKAON-IAGOWNOFSA-N 2 1 342.487 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001216511186 1373312990 /nfs/dbraw/zinc/31/29/90/1373312990.db2.gz LXYMUTVXULMCKG-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CCC2CCCCCC2)C1 ZINC001129328771 1373372794 /nfs/dbraw/zinc/37/27/94/1373372794.db2.gz STXKUQHVGVVIGR-LJQANCHMSA-N 2 1 337.552 3.031 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001130306311 1373488006 /nfs/dbraw/zinc/48/80/06/1373488006.db2.gz VKGZMMKALBMMOM-JXFKEZNVSA-N 2 1 339.483 3.091 20 0 EGADMP C[C@@H]1CC[C@H](OC[C@@]2(C)C[N@@H+](Cc3ccccc3)CC(C)(C)O2)C[NH2+]1 ZINC001217910252 1373511082 /nfs/dbraw/zinc/51/10/82/1373511082.db2.gz IDNDKJTUPSQJLZ-SLYNCCJLSA-N 2 1 346.515 3.213 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1c(C)ccc2ccccc21 ZINC001130421857 1373531526 /nfs/dbraw/zinc/53/15/26/1373531526.db2.gz LRPQUVRUIUPUSQ-UHFFFAOYSA-N 2 1 341.499 3.084 20 0 EGADMP CC1(C)C[NH2+]CCc2ccc(OC3C[NH+](Cc4ccccc4)C3)cc21 ZINC001218042284 1373546351 /nfs/dbraw/zinc/54/63/51/1373546351.db2.gz MSNGJRGGLVWTRL-UHFFFAOYSA-N 2 1 336.479 3.373 20 0 EGADMP CC[C@H]([NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)c1ccccc1 ZINC001130622727 1373571730 /nfs/dbraw/zinc/57/17/30/1373571730.db2.gz XICWZXYILYKHCW-IBGZPJMESA-N 2 1 345.531 3.497 20 0 EGADMP CC[C@@]1(c2cccc(O[C@H]3CC[NH2+]CC(=O)C3)c2)CCCC[N@H+](C)C1 ZINC001218196409 1373576309 /nfs/dbraw/zinc/57/63/09/1373576309.db2.gz YFLSFXLTMULBJN-LEWJYISDSA-N 2 1 344.499 3.150 20 0 EGADMP CC[C@@]1(c2cccc(O[C@H]3CC[NH2+]CC(=O)C3)c2)CCCC[N@@H+](C)C1 ZINC001218196409 1373576314 /nfs/dbraw/zinc/57/63/14/1373576314.db2.gz YFLSFXLTMULBJN-LEWJYISDSA-N 2 1 344.499 3.150 20 0 EGADMP C[C@H]([NH3+])c1ccc(O[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001218296800 1373590591 /nfs/dbraw/zinc/59/05/91/1373590591.db2.gz MMVHQOHJIUQGQF-XGHQBKJUSA-N 2 1 340.467 3.375 20 0 EGADMP C[C@H]([NH3+])c1ccc(O[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001218296800 1373590593 /nfs/dbraw/zinc/59/05/93/1373590593.db2.gz MMVHQOHJIUQGQF-XGHQBKJUSA-N 2 1 340.467 3.375 20 0 EGADMP C[C@@H]1CC[C@H](Oc2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[NH2+]1 ZINC001218395111 1373606481 /nfs/dbraw/zinc/60/64/81/1373606481.db2.gz UCRKNQWGUBWMGQ-APWZRJJASA-N 2 1 337.467 3.159 20 0 EGADMP C[C@@H]1CC[C@H](Oc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[NH2+]1 ZINC001218395111 1373606483 /nfs/dbraw/zinc/60/64/83/1373606483.db2.gz UCRKNQWGUBWMGQ-APWZRJJASA-N 2 1 337.467 3.159 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@@H](C)CC)C[C@H]21 ZINC001221876659 1373801050 /nfs/dbraw/zinc/80/10/50/1373801050.db2.gz NKEBTLKZUFZKDL-IPMKNSEASA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](C[C@@H](C)CC)C[C@H]21 ZINC001221876659 1373801056 /nfs/dbraw/zinc/80/10/56/1373801056.db2.gz NKEBTLKZUFZKDL-IPMKNSEASA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](C)CC)C[C@H]21 ZINC001221876659 1373801064 /nfs/dbraw/zinc/80/10/64/1373801064.db2.gz NKEBTLKZUFZKDL-IPMKNSEASA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](CCC(=O)NCC[NH2+][C@@H]1CCc2ccccc21)C1CCCCC1 ZINC001131815894 1373819435 /nfs/dbraw/zinc/81/94/35/1373819435.db2.gz YLLAWFPKNRBOPR-HXUWFJFHSA-N 2 1 343.515 3.034 20 0 EGADMP Oc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1OCC1CC1 ZINC001222272068 1373822772 /nfs/dbraw/zinc/82/27/72/1373822772.db2.gz MQVBKRXGYBZGBE-HXUWFJFHSA-N 2 1 330.472 3.147 20 0 EGADMP Oc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1OCC1CC1 ZINC001222272068 1373822776 /nfs/dbraw/zinc/82/27/76/1373822776.db2.gz MQVBKRXGYBZGBE-HXUWFJFHSA-N 2 1 330.472 3.147 20 0 EGADMP COc1ccc2nccc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)c2c1 ZINC001222272666 1373823048 /nfs/dbraw/zinc/82/30/48/1373823048.db2.gz YRCPRHUUSOODPQ-HXUWFJFHSA-N 2 1 325.456 3.209 20 0 EGADMP COc1ccc2nccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)c2c1 ZINC001222272666 1373823051 /nfs/dbraw/zinc/82/30/51/1373823051.db2.gz YRCPRHUUSOODPQ-HXUWFJFHSA-N 2 1 325.456 3.209 20 0 EGADMP CC/C=C\CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001224795071 1375077369 /nfs/dbraw/zinc/07/73/69/1375077369.db2.gz CWQCNRICZKHOKA-FZZLMOMWSA-N 2 1 347.547 3.188 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC[NH+](CCCC)CC1 ZINC001224883467 1375082060 /nfs/dbraw/zinc/08/20/60/1375082060.db2.gz AWFCDJCLCRZUTI-UHFFFAOYSA-N 2 1 325.541 3.127 20 0 EGADMP CC[C@H](C)C[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225577954 1375126841 /nfs/dbraw/zinc/12/68/41/1375126841.db2.gz NNIPFTKHHLUPJB-FXAWDEMLSA-N 2 1 345.531 3.164 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132105340 1375150621 /nfs/dbraw/zinc/15/06/21/1375150621.db2.gz FPMFXRSXEQQPBW-PLQXZHKYSA-N 2 1 335.536 3.186 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132105340 1375150624 /nfs/dbraw/zinc/15/06/24/1375150624.db2.gz FPMFXRSXEQQPBW-PLQXZHKYSA-N 2 1 335.536 3.186 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132105340 1375150627 /nfs/dbraw/zinc/15/06/27/1375150627.db2.gz FPMFXRSXEQQPBW-PLQXZHKYSA-N 2 1 335.536 3.186 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CC1CCCCCC1 ZINC001132106123 1375151568 /nfs/dbraw/zinc/15/15/68/1375151568.db2.gz QHCSVEQIIAEOBC-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CC1CCCCCC1 ZINC001132106123 1375151571 /nfs/dbraw/zinc/15/15/71/1375151571.db2.gz QHCSVEQIIAEOBC-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CC1CCCCCC1 ZINC001132106123 1375151574 /nfs/dbraw/zinc/15/15/74/1375151574.db2.gz QHCSVEQIIAEOBC-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132152338 1375171617 /nfs/dbraw/zinc/17/16/17/1375171617.db2.gz ADCJWMCKGXOFJE-SJLPKXTDSA-N 2 1 342.487 3.353 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132157566 1375176327 /nfs/dbraw/zinc/17/63/27/1375176327.db2.gz QUNDDMVMEHHXMU-WBVHZDCISA-N 2 1 328.460 3.107 20 0 EGADMP CC(C)C[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132202191 1375205992 /nfs/dbraw/zinc/20/59/92/1375205992.db2.gz DPLQCUXBAHUQPH-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@H+]1CC1CCC1 ZINC001132207204 1375209480 /nfs/dbraw/zinc/20/94/80/1375209480.db2.gz RAMRGCAIFRCTJG-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[NH+]1CC1CCC1 ZINC001132207204 1375209487 /nfs/dbraw/zinc/20/94/87/1375209487.db2.gz RAMRGCAIFRCTJG-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[NH+]1CC1CCC1 ZINC001132207204 1375209490 /nfs/dbraw/zinc/20/94/90/1375209490.db2.gz RAMRGCAIFRCTJG-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)c1 ZINC001132264881 1375254323 /nfs/dbraw/zinc/25/43/23/1375254323.db2.gz DEUZGHVRRLOEKW-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCc1ccccc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132270261 1375257594 /nfs/dbraw/zinc/25/75/94/1375257594.db2.gz RNYUZMJCJOANFG-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132332006 1375311285 /nfs/dbraw/zinc/31/12/85/1375311285.db2.gz QWALPIPZGASLIR-ROUUACIJSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132332006 1375311290 /nfs/dbraw/zinc/31/12/90/1375311290.db2.gz QWALPIPZGASLIR-ROUUACIJSA-N 2 1 348.535 3.412 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC=C(C)C)C1 ZINC001132365742 1375329216 /nfs/dbraw/zinc/32/92/16/1375329216.db2.gz PQWPFBLNGRXADI-MOPGFXCFSA-N 2 1 337.552 3.434 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC=C(C)C)C1 ZINC001132365742 1375329227 /nfs/dbraw/zinc/32/92/27/1375329227.db2.gz PQWPFBLNGRXADI-MOPGFXCFSA-N 2 1 337.552 3.434 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC=C(C)C)C1 ZINC001132365742 1375329236 /nfs/dbraw/zinc/32/92/36/1375329236.db2.gz PQWPFBLNGRXADI-MOPGFXCFSA-N 2 1 337.552 3.434 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132377021 1375339531 /nfs/dbraw/zinc/33/95/31/1375339531.db2.gz SOLQWNIPJDOROA-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001132441202 1375384412 /nfs/dbraw/zinc/38/44/12/1375384412.db2.gz LZTLEHXWYJDRTJ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132441202 1375384417 /nfs/dbraw/zinc/38/44/17/1375384417.db2.gz LZTLEHXWYJDRTJ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132441202 1375384423 /nfs/dbraw/zinc/38/44/23/1375384423.db2.gz LZTLEHXWYJDRTJ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C ZINC001227082649 1375386309 /nfs/dbraw/zinc/38/63/09/1375386309.db2.gz IOYIXGZJYZMLOQ-KZNAEPCWSA-N 2 1 337.552 3.314 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CC(C)C ZINC001227150622 1375397547 /nfs/dbraw/zinc/39/75/47/1375397547.db2.gz WQEKIXYWHBTFOV-RCCFBDPRSA-N 2 1 339.568 3.416 20 0 EGADMP CC(C)(C)c1ccc(NC(=O)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001327090283 1388375548 /nfs/dbraw/zinc/37/55/48/1388375548.db2.gz SYGKFCMVWKCACW-UHFFFAOYSA-N 2 1 343.515 3.388 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132517771 1375435725 /nfs/dbraw/zinc/43/57/25/1375435725.db2.gz GIVFKOURAQEHMK-IEBWSBKVSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001132517771 1375435729 /nfs/dbraw/zinc/43/57/29/1375435729.db2.gz GIVFKOURAQEHMK-IEBWSBKVSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001132517771 1375435731 /nfs/dbraw/zinc/43/57/31/1375435731.db2.gz GIVFKOURAQEHMK-IEBWSBKVSA-N 2 1 335.536 3.186 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC001132519267 1375437320 /nfs/dbraw/zinc/43/73/20/1375437320.db2.gz VUPQMNVRKPBAOP-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132519479 1375437416 /nfs/dbraw/zinc/43/74/16/1375437416.db2.gz ZLWQBGZMWRKQDA-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1cccc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132521299 1375438206 /nfs/dbraw/zinc/43/82/06/1375438206.db2.gz BGMWXZRNYVWZIP-OALUTQOASA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cccc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132521299 1375438213 /nfs/dbraw/zinc/43/82/13/1375438213.db2.gz BGMWXZRNYVWZIP-OALUTQOASA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cccc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132521299 1375438216 /nfs/dbraw/zinc/43/82/16/1375438216.db2.gz BGMWXZRNYVWZIP-OALUTQOASA-N 2 1 345.531 3.113 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132522771 1375439017 /nfs/dbraw/zinc/43/90/17/1375439017.db2.gz SAWABBYIZFUCLW-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001132522771 1375439021 /nfs/dbraw/zinc/43/90/21/1375439021.db2.gz SAWABBYIZFUCLW-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001132522771 1375439023 /nfs/dbraw/zinc/43/90/23/1375439023.db2.gz SAWABBYIZFUCLW-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CCC(C)(C)C ZINC001132524363 1375440919 /nfs/dbraw/zinc/44/09/19/1375440919.db2.gz GJKBHIAHTMYHLX-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132525659 1375441813 /nfs/dbraw/zinc/44/18/13/1375441813.db2.gz TVCGAQMTHVXPDL-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001227798221 1375477223 /nfs/dbraw/zinc/47/72/23/1375477223.db2.gz UHSDZYQKFBAEGA-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001228039821 1375508898 /nfs/dbraw/zinc/50/88/98/1375508898.db2.gz PGLAIIPZYAAPOE-OAHLLOKOSA-N 2 1 349.494 3.198 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132938054 1375657695 /nfs/dbraw/zinc/65/76/95/1375657695.db2.gz QJFRSDNMCIDZJD-GBXWSJCFSA-N 2 1 337.552 3.147 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132938053 1375658341 /nfs/dbraw/zinc/65/83/41/1375658341.db2.gz QJFRSDNMCIDZJD-AQRBRUGDSA-N 2 1 337.552 3.147 20 0 EGADMP C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C[NH2+]CC1CC1 ZINC001133011172 1375709820 /nfs/dbraw/zinc/70/98/20/1375709820.db2.gz HISSFTMYVCEGCF-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133012696 1375710957 /nfs/dbraw/zinc/71/09/57/1375710957.db2.gz UNGSBXVUKGOEAA-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc(C)c1 ZINC001229524612 1375851591 /nfs/dbraw/zinc/85/15/91/1375851591.db2.gz PWOBDTFMUAAMQN-MISYRCLQSA-N 2 1 345.531 3.415 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001229852873 1375904090 /nfs/dbraw/zinc/90/40/90/1375904090.db2.gz NFEPTUBREJRBAM-RTBURBONSA-N 2 1 335.536 3.236 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001133314497 1375917168 /nfs/dbraw/zinc/91/71/68/1375917168.db2.gz NMTPOSHWOIOUKL-LOYZYROESA-N 2 1 346.519 3.012 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC1CC[NH+](CC2CCC2)CC1)c1ccccc1 ZINC001230017469 1375932106 /nfs/dbraw/zinc/93/21/06/1375932106.db2.gz WNGXXTZURQWZLL-FQEVSTJZSA-N 2 1 343.515 3.060 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001230284731 1375984892 /nfs/dbraw/zinc/98/48/92/1375984892.db2.gz SDKNCEWTQDPTBJ-QRVBRYPASA-N 2 1 337.552 3.458 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001230359601 1376008776 /nfs/dbraw/zinc/00/87/76/1376008776.db2.gz FJGGLXHNDYULFE-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001230373894 1376010300 /nfs/dbraw/zinc/01/03/00/1376010300.db2.gz DCKYKBKMZOGNCM-LJQANCHMSA-N 2 1 331.504 3.060 20 0 EGADMP CCCc1ccc(C[NH+]2CCC(NC(=O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC001230374022 1376010367 /nfs/dbraw/zinc/01/03/67/1376010367.db2.gz GVVFQPAEOMSZDE-UHFFFAOYSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230518961 1376052148 /nfs/dbraw/zinc/05/21/48/1376052148.db2.gz WHEYXBNLBQMPHO-UKRRQHHQSA-N 2 1 337.427 3.145 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001230598377 1376092642 /nfs/dbraw/zinc/09/26/42/1376092642.db2.gz MPKPJRMLUMSCID-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230598676 1376094307 /nfs/dbraw/zinc/09/43/07/1376094307.db2.gz WRTJLEGOEMFZNE-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001188979882 1388425337 /nfs/dbraw/zinc/42/53/37/1388425337.db2.gz XMFNHDURFFZCHB-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)C[N@H+]2CCC(C)(C)C2)cc1 ZINC001133897078 1376254799 /nfs/dbraw/zinc/25/47/99/1376254799.db2.gz YEVXIYHUQWXUKB-KRWDZBQOSA-N 2 1 345.531 3.309 20 0 EGADMP COc1cc(F)ccc1C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001231601001 1376275456 /nfs/dbraw/zinc/27/54/56/1376275456.db2.gz GRHBMYBFBMWXKB-UHFFFAOYSA-N 2 1 329.419 3.277 20 0 EGADMP c1c2c[nH+]ccc2[nH]c1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001232014104 1376381651 /nfs/dbraw/zinc/38/16/51/1376381651.db2.gz KFIGMFINCPCGAD-DYESRHJHSA-N 2 1 332.451 3.269 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(C)n1 ZINC001232081708 1376396820 /nfs/dbraw/zinc/39/68/20/1376396820.db2.gz FMWQJBRLVQCJRW-RTWAWAEBSA-N 2 1 336.483 3.047 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(C)n1 ZINC001232081708 1376396826 /nfs/dbraw/zinc/39/68/26/1376396826.db2.gz FMWQJBRLVQCJRW-RTWAWAEBSA-N 2 1 336.483 3.047 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c(C)n1 ZINC001232081708 1376396830 /nfs/dbraw/zinc/39/68/30/1376396830.db2.gz FMWQJBRLVQCJRW-RTWAWAEBSA-N 2 1 336.483 3.047 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c(C)n1 ZINC001232081708 1376396835 /nfs/dbraw/zinc/39/68/35/1376396835.db2.gz FMWQJBRLVQCJRW-RTWAWAEBSA-N 2 1 336.483 3.047 20 0 EGADMP CC(C)c1nc(CC[N@@H+](C)Cc2cc(F)cc(C[NH+](C)C)c2)no1 ZINC001232143546 1376408875 /nfs/dbraw/zinc/40/88/75/1376408875.db2.gz APAFGWZHFICYLS-UHFFFAOYSA-N 2 1 334.439 3.068 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(O)c3ncccc23)CC1 ZINC001232272164 1376428858 /nfs/dbraw/zinc/42/88/58/1376428858.db2.gz CNFZQZJGENUNJR-UHFFFAOYSA-N 2 1 348.450 3.383 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH2+]C/C=C\c1ccccc1 ZINC001134607737 1376622521 /nfs/dbraw/zinc/62/25/21/1376622521.db2.gz KUDHBXXHRVVLLO-OAAMNHTFSA-N 2 1 343.515 3.057 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CCC1CCCCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134611843 1376624416 /nfs/dbraw/zinc/62/44/16/1376624416.db2.gz CRIWXKITEQMEGF-IAGOWNOFSA-N 2 1 337.552 3.314 20 0 EGADMP COC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1OC ZINC001233518000 1376659851 /nfs/dbraw/zinc/65/98/51/1376659851.db2.gz KZQWEOAONNVNBN-UHFFFAOYSA-N 2 1 348.487 3.034 20 0 EGADMP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134791376 1376724261 /nfs/dbraw/zinc/72/42/61/1376724261.db2.gz RALOFJBNLFMPOJ-IRXDYDNUSA-N 2 1 337.552 3.479 20 0 EGADMP CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134792150 1376725925 /nfs/dbraw/zinc/72/59/25/1376725925.db2.gz ZAUYLRQUFWHIMR-JKSUJKDBSA-N 2 1 325.541 3.312 20 0 EGADMP CN(CCC[N@@H+](C)CC1CCC1)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001327251740 1388463872 /nfs/dbraw/zinc/46/38/72/1388463872.db2.gz LCYSYWLJMXPCQT-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CCC[NH+](C)CC1CCC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001327251740 1388463875 /nfs/dbraw/zinc/46/38/75/1388463875.db2.gz LCYSYWLJMXPCQT-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CCC[NH+](C)CC1CCC1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001327251740 1388463880 /nfs/dbraw/zinc/46/38/80/1388463880.db2.gz LCYSYWLJMXPCQT-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c2c(OC)cccc12 ZINC001235034373 1376832378 /nfs/dbraw/zinc/83/23/78/1376832378.db2.gz XDHGIYHCSXWZGR-FQEVSTJZSA-N 2 1 326.440 3.042 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCC(C)(C)C2)cc1)C(C)C ZINC001135000600 1376836309 /nfs/dbraw/zinc/83/63/09/1376836309.db2.gz IVLKMFCRACBRMB-UHFFFAOYSA-N 2 1 345.531 3.379 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+]2CCC(C)(C)C2)cc1)C(C)C ZINC001135000600 1376836315 /nfs/dbraw/zinc/83/63/15/1376836315.db2.gz IVLKMFCRACBRMB-UHFFFAOYSA-N 2 1 345.531 3.379 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+]2CCC(C)(C)C2)cc1)C(C)C ZINC001135000600 1376836318 /nfs/dbraw/zinc/83/63/18/1376836318.db2.gz IVLKMFCRACBRMB-UHFFFAOYSA-N 2 1 345.531 3.379 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)CC3)ccc2[nH]1 ZINC001235041011 1376838005 /nfs/dbraw/zinc/83/80/05/1376838005.db2.gz WCQSNVRKHMEURY-HXUWFJFHSA-N 2 1 341.455 3.063 20 0 EGADMP FC(F)(F)c1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001235039351 1376839051 /nfs/dbraw/zinc/83/90/51/1376839051.db2.gz YEMBSRDLULYMIW-IUODEOHRSA-N 2 1 348.796 3.169 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001135027907 1376856599 /nfs/dbraw/zinc/85/65/99/1376856599.db2.gz ABGCYLWOWIQQRG-HZPDHXFCSA-N 2 1 334.508 3.035 20 0 EGADMP COc1cccc2c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c[nH]c21 ZINC001235428813 1376870277 /nfs/dbraw/zinc/87/02/77/1376870277.db2.gz REEIEQSWKULOJC-HOTGVXAUSA-N 2 1 327.472 3.388 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427556 1376870619 /nfs/dbraw/zinc/87/06/19/1376870619.db2.gz SJIQPOSJXSMXQD-MSOLQXFVSA-N 2 1 339.483 3.455 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC001235429756 1376871011 /nfs/dbraw/zinc/87/10/11/1376871011.db2.gz ZLHRXOFMJYBFMS-DLBZAZTESA-N 2 1 347.503 3.020 20 0 EGADMP COc1ccc([C@H]2CSCC[N@H+]2Cc2cccc(C[NH3+])c2)cc1 ZINC001235727551 1376887218 /nfs/dbraw/zinc/88/72/18/1376887218.db2.gz SXXGYBHCHZDQGL-LJQANCHMSA-N 2 1 328.481 3.444 20 0 EGADMP CC[N@H+](Cc1cc(Br)cc(C)c1OC)C1CC[NH2+]CC1 ZINC001235764879 1376889932 /nfs/dbraw/zinc/88/99/32/1376889932.db2.gz NNRWPYOROUMYDN-UHFFFAOYSA-N 2 1 341.293 3.340 20 0 EGADMP CC[N@@H+](Cc1cc(Br)cc(C)c1OC)C1CC[NH2+]CC1 ZINC001235764879 1376889935 /nfs/dbraw/zinc/88/99/35/1376889935.db2.gz NNRWPYOROUMYDN-UHFFFAOYSA-N 2 1 341.293 3.340 20 0 EGADMP CC(C)C[C@H]1CN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001235878933 1376908140 /nfs/dbraw/zinc/90/81/40/1376908140.db2.gz UPYKLAQLWIYUPS-SFTDATJTSA-N 2 1 329.532 3.361 20 0 EGADMP FC1(C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC[NH2+]CC1 ZINC001235946975 1376921943 /nfs/dbraw/zinc/92/19/43/1376921943.db2.gz FICNRRMWNSDBIS-UHFFFAOYSA-N 2 1 346.277 3.207 20 0 EGADMP CCC[N@@H+](CCc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC001236181458 1376939755 /nfs/dbraw/zinc/93/97/55/1376939755.db2.gz ZRIIRVFYRWEAKP-UHFFFAOYSA-N 2 1 325.294 3.456 20 0 EGADMP c1ccc(-c2cccc(N3CC[NH+](C[C@H]4CCC[NH2+]C4)CC3)c2)cc1 ZINC001236181370 1376939728 /nfs/dbraw/zinc/93/97/28/1376939728.db2.gz IWYCJNFBUZJQCS-IBGZPJMESA-N 2 1 335.495 3.475 20 0 EGADMP c1ccc(C2(N3CC[NH+](Cc4ccc5c(c4)C[NH2+]CC5)CC3)CC2)cc1 ZINC001236229956 1376942667 /nfs/dbraw/zinc/94/26/67/1376942667.db2.gz VHAHVTHDBNASPC-UHFFFAOYSA-N 2 1 347.506 3.139 20 0 EGADMP CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001236254173 1376945570 /nfs/dbraw/zinc/94/55/70/1376945570.db2.gz VOEZCUDDZJSDIW-NRFANRHFSA-N 2 1 341.543 3.363 20 0 EGADMP NCC[N@@H+]([C@H]1CCC[C@]2(CC[NH2+]C2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246292376 1377051287 /nfs/dbraw/zinc/05/12/87/1377051287.db2.gz VYBRPPAIQOANRP-DVBNIQRLSA-N 2 1 331.548 3.138 20 0 EGADMP CC(C)(C)OC(=O)O[C@H]1CC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246542718 1377052445 /nfs/dbraw/zinc/05/24/45/1377052445.db2.gz XYFLRZAQJQBDBB-INIZCTEOSA-N 2 1 338.492 3.325 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001135440596 1377098440 /nfs/dbraw/zinc/09/84/40/1377098440.db2.gz PHLNJHOFPMPNJH-GOSISDBHSA-N 2 1 333.520 3.274 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(Cc3cc(F)cc(F)c3)CC2)CC1 ZINC001254508456 1377105273 /nfs/dbraw/zinc/10/52/73/1377105273.db2.gz JDKNIAXHHIYYEC-GOSISDBHSA-N 2 1 337.458 3.003 20 0 EGADMP Cc1c(F)cccc1CN1CCC([NH2+][C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254508501 1377105879 /nfs/dbraw/zinc/10/58/79/1377105879.db2.gz JTYREOHZUVCMJE-GOSISDBHSA-N 2 1 333.495 3.172 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254530034 1377107027 /nfs/dbraw/zinc/10/70/27/1377107027.db2.gz TYHXGHXIWXGRSI-HSALFYBXSA-N 2 1 344.499 3.282 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254530034 1377107029 /nfs/dbraw/zinc/10/70/29/1377107029.db2.gz TYHXGHXIWXGRSI-HSALFYBXSA-N 2 1 344.499 3.282 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254530034 1377107031 /nfs/dbraw/zinc/10/70/31/1377107031.db2.gz TYHXGHXIWXGRSI-HSALFYBXSA-N 2 1 344.499 3.282 20 0 EGADMP C[N@H+]1CCC[C@H]([NH+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CC1 ZINC001254526616 1377107466 /nfs/dbraw/zinc/10/74/66/1377107466.db2.gz RXVAYTSEVITTIV-RDGPPVDQSA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CC1 ZINC001254526616 1377107470 /nfs/dbraw/zinc/10/74/70/1377107470.db2.gz RXVAYTSEVITTIV-RDGPPVDQSA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+]1CCC[C@H]([N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CC1 ZINC001254526616 1377107473 /nfs/dbraw/zinc/10/74/73/1377107473.db2.gz RXVAYTSEVITTIV-RDGPPVDQSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135468070 1377107562 /nfs/dbraw/zinc/10/75/62/1377107562.db2.gz LXRJCEYBYRFCDF-IRXDYDNUSA-N 2 1 335.536 3.092 20 0 EGADMP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+]2CCC(C)(C)C2)cc1 ZINC001135468152 1377107609 /nfs/dbraw/zinc/10/76/09/1377107609.db2.gz MZTSKVHEJGYKMJ-MSOLQXFVSA-N 2 1 345.531 3.100 20 0 EGADMP CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481239 1377113830 /nfs/dbraw/zinc/11/38/30/1377113830.db2.gz RRALNPSTVWNDET-OALUTQOASA-N 2 1 347.547 3.080 20 0 EGADMP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135601191 1377159286 /nfs/dbraw/zinc/15/92/86/1377159286.db2.gz SBDSOAUCKUVTIZ-DLBZAZTESA-N 2 1 334.508 3.236 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(C)(C)C ZINC001135680400 1377181818 /nfs/dbraw/zinc/18/18/18/1377181818.db2.gz VKRLWNXUUCVCFW-HZPDHXFCSA-N 2 1 336.524 3.281 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCc1ccc(CC)cc1 ZINC001135980303 1377286168 /nfs/dbraw/zinc/28/61/68/1377286168.db2.gz NIYQNQFNMFQWES-ROUUACIJSA-N 2 1 347.547 3.006 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001266361367 1377296175 /nfs/dbraw/zinc/29/61/75/1377296175.db2.gz LVZUMRDYDHEDOO-UYAOXDASSA-N 2 1 343.515 3.123 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001266479705 1377318109 /nfs/dbraw/zinc/31/81/09/1377318109.db2.gz BFAFNIKNXHDQRF-RTBURBONSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001327309419 1388493889 /nfs/dbraw/zinc/49/38/89/1388493889.db2.gz VKPFXGAFLCIODE-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)[NH+]1CCCCCC1 ZINC001137208742 1377497001 /nfs/dbraw/zinc/49/70/01/1377497001.db2.gz LIBYUYXBEHQQQG-RBUKOAKNSA-N 2 1 345.531 3.278 20 0 EGADMP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4c[nH]c5ncccc45)C[C@H]3C2)c1 ZINC001137398994 1377540907 /nfs/dbraw/zinc/54/09/07/1377540907.db2.gz HCFNOYWVYSQOJK-HOTGVXAUSA-N 2 1 338.480 3.188 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001269345927 1377552342 /nfs/dbraw/zinc/55/23/42/1377552342.db2.gz WVRGOZGOBLEJSD-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)cc1 ZINC001138543093 1377738539 /nfs/dbraw/zinc/73/85/39/1377738539.db2.gz JZVDTXBXDAVRLF-UHFFFAOYSA-N 2 1 348.450 3.209 20 0 EGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(Oc2ncccn2)c1 ZINC001138622518 1377754559 /nfs/dbraw/zinc/75/45/59/1377754559.db2.gz QQLIMQDWFJZQRZ-UHFFFAOYSA-N 2 1 326.444 3.187 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(Oc2ncccn2)c1 ZINC001138622518 1377754561 /nfs/dbraw/zinc/75/45/61/1377754561.db2.gz QQLIMQDWFJZQRZ-UHFFFAOYSA-N 2 1 326.444 3.187 20 0 EGADMP C[NH+]1CCN(C2CC[NH+](Cc3c(Cl)[nH]c4ccccc43)CC2)CC1 ZINC001138686717 1377767865 /nfs/dbraw/zinc/76/78/65/1377767865.db2.gz JQUHKKYKCDZXNQ-UHFFFAOYSA-N 2 1 346.906 3.033 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cnc5[nH]ccc5c4)C[C@@H]3C2)cc1 ZINC001138744931 1377779133 /nfs/dbraw/zinc/77/91/33/1377779133.db2.gz ZCDJCCRVZSMVGT-OYRHEFFESA-N 2 1 346.478 3.435 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cnc5[nH]ccc5c4)C[C@@H]3C2)cc1 ZINC001138744931 1377779138 /nfs/dbraw/zinc/77/91/38/1377779138.db2.gz ZCDJCCRVZSMVGT-OYRHEFFESA-N 2 1 346.478 3.435 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cnc5[nH]ccc5c4)C[C@@H]3C2)cc1 ZINC001138744931 1377779140 /nfs/dbraw/zinc/77/91/40/1377779140.db2.gz ZCDJCCRVZSMVGT-OYRHEFFESA-N 2 1 346.478 3.435 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cnc5[nH]ccc5c4)C[C@@H]3C2)cc1 ZINC001138744931 1377779144 /nfs/dbraw/zinc/77/91/44/1377779144.db2.gz ZCDJCCRVZSMVGT-OYRHEFFESA-N 2 1 346.478 3.435 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC001138772942 1377782233 /nfs/dbraw/zinc/78/22/33/1377782233.db2.gz LMACWCRPNKBOGM-QGZVFWFLSA-N 2 1 331.485 3.421 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC001138772942 1377782234 /nfs/dbraw/zinc/78/22/34/1377782234.db2.gz LMACWCRPNKBOGM-QGZVFWFLSA-N 2 1 331.485 3.421 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5nonc5c4)C[C@@H]3C2)cc1 ZINC001139220514 1377854615 /nfs/dbraw/zinc/85/46/15/1377854615.db2.gz MISRCFLQUNEYAG-OALUTQOASA-N 2 1 348.450 3.095 20 0 EGADMP C[NH+]1CCN(c2ncc(C[NH+]3CCC(C(C)(C)C)CC3)s2)CC1 ZINC001139319707 1377867855 /nfs/dbraw/zinc/86/78/55/1377867855.db2.gz MFUYACAJTQHNMC-UHFFFAOYSA-N 2 1 336.549 3.153 20 0 EGADMP COc1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1C(C)C ZINC001139620205 1377920499 /nfs/dbraw/zinc/92/04/99/1377920499.db2.gz NTVYHQQFODCOLJ-UHFFFAOYSA-N 2 1 345.487 3.449 20 0 EGADMP COc1ncc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC001139818964 1377956503 /nfs/dbraw/zinc/95/65/03/1377956503.db2.gz SRBKPRBACVZDPK-UHFFFAOYSA-N 2 1 345.512 3.496 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc3c(cnn3C)c2)CC1 ZINC001139950036 1377981600 /nfs/dbraw/zinc/98/16/00/1377981600.db2.gz DWSXPZDUARXPHA-UHFFFAOYSA-N 2 1 335.455 3.016 20 0 EGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc(OC)c(OCC4CC4)c3)C[C@H]2C1 ZINC001140491570 1378071808 /nfs/dbraw/zinc/07/18/08/1378071808.db2.gz GWYJBAUIWPTSME-KDURUIRLSA-N 2 1 344.499 3.258 20 0 EGADMP C[N@H+](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001140593460 1378093570 /nfs/dbraw/zinc/09/35/70/1378093570.db2.gz KAQXCOZKOJVECL-UHFFFAOYSA-N 2 1 347.503 3.237 20 0 EGADMP C[N@@H+](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001140593460 1378093573 /nfs/dbraw/zinc/09/35/73/1378093573.db2.gz KAQXCOZKOJVECL-UHFFFAOYSA-N 2 1 347.503 3.237 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)c(C)c1 ZINC001274643207 1378131573 /nfs/dbraw/zinc/13/15/73/1378131573.db2.gz IJSUWBGLHHCTMB-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1cc(F)ccc1CN1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001140777790 1378134146 /nfs/dbraw/zinc/13/41/46/1378134146.db2.gz FWOJZHFRERAQIY-QZTJIDSGSA-N 2 1 325.431 3.093 20 0 EGADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140801360 1378139764 /nfs/dbraw/zinc/13/97/64/1378139764.db2.gz KTLJEDRWACRYNE-HNNXBMFYSA-N 2 1 344.459 3.394 20 0 EGADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140801360 1378139766 /nfs/dbraw/zinc/13/97/66/1378139766.db2.gz KTLJEDRWACRYNE-HNNXBMFYSA-N 2 1 344.459 3.394 20 0 EGADMP Oc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)cc1 ZINC001275892207 1378160932 /nfs/dbraw/zinc/16/09/32/1378160932.db2.gz OJWDMOHZQOTZHB-HDICACEKSA-N 2 1 325.456 3.064 20 0 EGADMP Oc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)cc1 ZINC001275892207 1378160937 /nfs/dbraw/zinc/16/09/37/1378160937.db2.gz OJWDMOHZQOTZHB-HDICACEKSA-N 2 1 325.456 3.064 20 0 EGADMP C[N@@H+](CCc1cccc(F)c1)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140975579 1378198140 /nfs/dbraw/zinc/19/81/40/1378198140.db2.gz VDJAITNUNPZCPF-UHFFFAOYSA-N 2 1 341.474 3.252 20 0 EGADMP Oc1cccc2ccc(C[N@H+]3CCC[C@H](Oc4ccncc4)C3)nc12 ZINC001141026033 1378211917 /nfs/dbraw/zinc/21/19/17/1378211917.db2.gz ZYFGPOBLNXPLNJ-SFHVURJKSA-N 2 1 335.407 3.379 20 0 EGADMP Oc1cccc2ccc(CN3CCC[C@H](Oc4ccncc4)C3)nc12 ZINC001141026033 1378211924 /nfs/dbraw/zinc/21/19/24/1378211924.db2.gz ZYFGPOBLNXPLNJ-SFHVURJKSA-N 2 1 335.407 3.379 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(C)cc1F)C2 ZINC001141192558 1378264650 /nfs/dbraw/zinc/26/46/50/1378264650.db2.gz AUUMKDFQONSUPB-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP CCOC(=O)CN(Cc1cccc(-n2ccnc2)c1)C1CCCC1 ZINC001141243735 1378281113 /nfs/dbraw/zinc/28/11/13/1378281113.db2.gz UWNXNHNIPMCTJN-UHFFFAOYSA-N 2 1 327.428 3.180 20 0 EGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC3CCOCC3)cc2)CC1 ZINC001141413408 1378320211 /nfs/dbraw/zinc/32/02/11/1378320211.db2.gz SFUIYMFZJFFGAJ-UHFFFAOYSA-N 2 1 332.488 3.161 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC3CCOCC3)cc2)CC1 ZINC001141413408 1378320215 /nfs/dbraw/zinc/32/02/15/1378320215.db2.gz SFUIYMFZJFFGAJ-UHFFFAOYSA-N 2 1 332.488 3.161 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC001142307041 1378432723 /nfs/dbraw/zinc/43/27/23/1378432723.db2.gz QSRJIDHLTNFBEM-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc(OC(F)(F)F)c1 ZINC001143473267 1378600952 /nfs/dbraw/zinc/60/09/52/1378600952.db2.gz ZPUXKTFVSIDEKA-MRXNPFEDSA-N 2 1 328.378 3.421 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc(OC(F)(F)F)c1 ZINC001143473267 1378600957 /nfs/dbraw/zinc/60/09/57/1378600957.db2.gz ZPUXKTFVSIDEKA-MRXNPFEDSA-N 2 1 328.378 3.421 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc(OC(F)(F)F)c1 ZINC001143473267 1378600961 /nfs/dbraw/zinc/60/09/61/1378600961.db2.gz ZPUXKTFVSIDEKA-MRXNPFEDSA-N 2 1 328.378 3.421 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc(OC(F)(F)F)c1 ZINC001143473267 1378600963 /nfs/dbraw/zinc/60/09/63/1378600963.db2.gz ZPUXKTFVSIDEKA-MRXNPFEDSA-N 2 1 328.378 3.421 20 0 EGADMP CCOc1c(Cl)ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1F ZINC001143832646 1378650983 /nfs/dbraw/zinc/65/09/83/1378650983.db2.gz DVTXHSKZYDHRBI-UHFFFAOYSA-N 2 1 326.843 3.405 20 0 EGADMP COc1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OC(F)(F)F ZINC001143879420 1378656945 /nfs/dbraw/zinc/65/69/45/1378656945.db2.gz KCRCKRQVVFWAOJ-INIZCTEOSA-N 2 1 344.377 3.121 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001146594822 1378874697 /nfs/dbraw/zinc/87/46/97/1378874697.db2.gz VFSZOQIIOPKRFE-CABCVRRESA-N 2 1 339.911 3.053 20 0 EGADMP CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707587 1378903927 /nfs/dbraw/zinc/90/39/27/1378903927.db2.gz UJHHTQZABCBFBM-LXORQPIJSA-N 2 1 345.531 3.348 20 0 EGADMP CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707587 1378903930 /nfs/dbraw/zinc/90/39/30/1378903930.db2.gz UJHHTQZABCBFBM-LXORQPIJSA-N 2 1 345.531 3.348 20 0 EGADMP CC(C)n1ncc2c1[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC001327680569 1388577769 /nfs/dbraw/zinc/57/77/69/1388577769.db2.gz PHVROMBWYKEZGS-RBUKOAKNSA-N 2 1 346.519 3.074 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cccc(CC)c1 ZINC001147359168 1379008262 /nfs/dbraw/zinc/00/82/62/1379008262.db2.gz MZIDORIPSQUDKJ-HXUWFJFHSA-N 2 1 345.531 3.109 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001147658168 1379056566 /nfs/dbraw/zinc/05/65/66/1379056566.db2.gz IRJQGRGUBJGGGL-RURPWVQCSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001147658168 1379056572 /nfs/dbraw/zinc/05/65/72/1379056572.db2.gz IRJQGRGUBJGGGL-RURPWVQCSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001147658168 1379056576 /nfs/dbraw/zinc/05/65/76/1379056576.db2.gz IRJQGRGUBJGGGL-RURPWVQCSA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)CC[NH+]([C@H](C)c1ccccc1)C2 ZINC001147813397 1379084636 /nfs/dbraw/zinc/08/46/36/1379084636.db2.gz ZXFNYSBWYPYIAJ-QGZVFWFLSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1ccccc1)C2 ZINC001147813397 1379084637 /nfs/dbraw/zinc/08/46/37/1379084637.db2.gz ZXFNYSBWYPYIAJ-QGZVFWFLSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1ccccc1)C2 ZINC001147813397 1379084639 /nfs/dbraw/zinc/08/46/39/1379084639.db2.gz ZXFNYSBWYPYIAJ-QGZVFWFLSA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001283691225 1379120481 /nfs/dbraw/zinc/12/04/81/1379120481.db2.gz AQRZKZOMCGUJCD-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001283704597 1379130038 /nfs/dbraw/zinc/13/00/38/1379130038.db2.gz NVEDOEBKDPYNMI-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC001148577893 1379216181 /nfs/dbraw/zinc/21/61/81/1379216181.db2.gz IFJAXRBDJLTOMO-QGZVFWFLSA-N 2 1 341.499 3.339 20 0 EGADMP CC1CCC(C[N@H+]2CCC3(CN(C(=O)CCCC[NH+](C)C)C3)C2)CC1 ZINC001148641329 1379232514 /nfs/dbraw/zinc/23/25/14/1379232514.db2.gz ZSAJCMAXFOVHKX-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1c(C)cc(C(C)(C)C)cc1C ZINC001148655012 1379234728 /nfs/dbraw/zinc/23/47/28/1379234728.db2.gz FIFIOCXOEAYQIS-UHFFFAOYSA-N 2 1 347.547 3.149 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001148777192 1379266232 /nfs/dbraw/zinc/26/62/32/1379266232.db2.gz LCFVXRZGYXQCGF-UHFFFAOYSA-N 2 1 349.563 3.367 20 0 EGADMP CC(C)CCC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001148833582 1379278624 /nfs/dbraw/zinc/27/86/24/1379278624.db2.gz AZZFCZBYCILWCQ-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH2+]C[C@@H](C)CN[C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC001327841103 1388604072 /nfs/dbraw/zinc/60/40/72/1388604072.db2.gz VFCBQRXBMLTQLK-IAGOWNOFSA-N 2 1 333.520 3.187 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@H+]1CCCC1CCCC1 ZINC001284133123 1379518049 /nfs/dbraw/zinc/51/80/49/1379518049.db2.gz YZOVMRVNZMZCLF-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](CC/C=C/c1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392808 1379925977 /nfs/dbraw/zinc/92/59/77/1379925977.db2.gz UVVXBEJYCBUYEZ-ZXKUBQOYSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](CC/C=C/c1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152392808 1379925982 /nfs/dbraw/zinc/92/59/82/1379925982.db2.gz UVVXBEJYCBUYEZ-ZXKUBQOYSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](CC/C=C/c1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152392808 1379925984 /nfs/dbraw/zinc/92/59/84/1379925984.db2.gz UVVXBEJYCBUYEZ-ZXKUBQOYSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC1CCCC1 ZINC001153720295 1380118971 /nfs/dbraw/zinc/11/89/71/1380118971.db2.gz AHAVFKZWTSCENI-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCC1CCCC1 ZINC001153720295 1380118973 /nfs/dbraw/zinc/11/89/73/1380118973.db2.gz AHAVFKZWTSCENI-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCC1CCCC1 ZINC001153720295 1380118975 /nfs/dbraw/zinc/11/89/75/1380118975.db2.gz AHAVFKZWTSCENI-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153879513 1380148448 /nfs/dbraw/zinc/14/84/48/1380148448.db2.gz HUAYKRAQHOADKV-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCC(C)(C)C)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153879513 1380148450 /nfs/dbraw/zinc/14/84/50/1380148450.db2.gz HUAYKRAQHOADKV-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCC(C)(C)C)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153879513 1380148452 /nfs/dbraw/zinc/14/84/52/1380148452.db2.gz HUAYKRAQHOADKV-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CCc1ccccc1C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154034042 1380186943 /nfs/dbraw/zinc/18/69/43/1380186943.db2.gz UIGUSRONOZDURJ-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154034042 1380186944 /nfs/dbraw/zinc/18/69/44/1380186944.db2.gz UIGUSRONOZDURJ-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154034042 1380186945 /nfs/dbraw/zinc/18/69/45/1380186945.db2.gz UIGUSRONOZDURJ-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033641 1380187064 /nfs/dbraw/zinc/18/70/64/1380187064.db2.gz HQXGCWZYMSEQGG-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154033641 1380187065 /nfs/dbraw/zinc/18/70/65/1380187065.db2.gz HQXGCWZYMSEQGG-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154033641 1380187067 /nfs/dbraw/zinc/18/70/67/1380187067.db2.gz HQXGCWZYMSEQGG-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCc1ccccc1C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154034040 1380187533 /nfs/dbraw/zinc/18/75/33/1380187533.db2.gz UIGUSRONOZDURJ-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154034040 1380187539 /nfs/dbraw/zinc/18/75/39/1380187539.db2.gz UIGUSRONOZDURJ-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154034040 1380187543 /nfs/dbraw/zinc/18/75/43/1380187543.db2.gz UIGUSRONOZDURJ-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)CC ZINC001154069888 1380197802 /nfs/dbraw/zinc/19/78/02/1380197802.db2.gz NAMAKMCSEVUVGW-QGZVFWFLSA-N 2 1 347.547 3.306 20 0 EGADMP CCc1ccccc1C[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154069888 1380197804 /nfs/dbraw/zinc/19/78/04/1380197804.db2.gz NAMAKMCSEVUVGW-QGZVFWFLSA-N 2 1 347.547 3.306 20 0 EGADMP CCc1ccccc1C[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154069888 1380197809 /nfs/dbraw/zinc/19/78/09/1380197809.db2.gz NAMAKMCSEVUVGW-QGZVFWFLSA-N 2 1 347.547 3.306 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](C)CC(C)C ZINC001154069595 1380198102 /nfs/dbraw/zinc/19/81/02/1380198102.db2.gz HUCDNUDBFMWHNR-DLBZAZTESA-N 2 1 327.557 3.226 20 0 EGADMP CC[NH+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154069595 1380198104 /nfs/dbraw/zinc/19/81/04/1380198104.db2.gz HUCDNUDBFMWHNR-DLBZAZTESA-N 2 1 327.557 3.226 20 0 EGADMP CC[NH+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154069595 1380198107 /nfs/dbraw/zinc/19/81/07/1380198107.db2.gz HUCDNUDBFMWHNR-DLBZAZTESA-N 2 1 327.557 3.226 20 0 EGADMP CC[N@@H+](C/C=C/Cl)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099379 1380207846 /nfs/dbraw/zinc/20/78/46/1380207846.db2.gz JEEQATIPJYSQDH-SAAWKEMMSA-N 2 1 343.943 3.219 20 0 EGADMP CC[NH+](C/C=C/Cl)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001154099379 1380207850 /nfs/dbraw/zinc/20/78/50/1380207850.db2.gz JEEQATIPJYSQDH-SAAWKEMMSA-N 2 1 343.943 3.219 20 0 EGADMP CC[NH+](C/C=C/Cl)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001154099379 1380207852 /nfs/dbraw/zinc/20/78/52/1380207852.db2.gz JEEQATIPJYSQDH-SAAWKEMMSA-N 2 1 343.943 3.219 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167556 1380220063 /nfs/dbraw/zinc/22/00/63/1380220063.db2.gz KQPALSCAWITLFQ-JTHGQSKGSA-N 2 1 335.536 3.188 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455690 1380280843 /nfs/dbraw/zinc/28/08/43/1380280843.db2.gz ZWILBCDQRDEUPG-WAQVGJNASA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1)[NH+](CC)CC ZINC001155174605 1380419654 /nfs/dbraw/zinc/41/96/54/1380419654.db2.gz GYAJLTCJBRQMQO-IEBWSBKVSA-N 2 1 333.520 3.134 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccsc1)[NH+](CC)CC ZINC001155180787 1380420367 /nfs/dbraw/zinc/42/03/67/1380420367.db2.gz QAWBCZZKQRRZIP-NVXWUHKLSA-N 2 1 339.549 3.195 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263653 1380430285 /nfs/dbraw/zinc/43/02/85/1380430285.db2.gz VEDWLPVAGRTGHN-QGZVFWFLSA-N 2 1 327.557 3.227 20 0 EGADMP CC[NH+](CCCC(C)C)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001155263653 1380430286 /nfs/dbraw/zinc/43/02/86/1380430286.db2.gz VEDWLPVAGRTGHN-QGZVFWFLSA-N 2 1 327.557 3.227 20 0 EGADMP CC[NH+](CCCC(C)C)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001155263653 1380430289 /nfs/dbraw/zinc/43/02/89/1380430289.db2.gz VEDWLPVAGRTGHN-QGZVFWFLSA-N 2 1 327.557 3.227 20 0 EGADMP CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001155612541 1380473899 /nfs/dbraw/zinc/47/38/99/1380473899.db2.gz XYMHKJNABQNHSY-MSOLQXFVSA-N 2 1 343.531 3.217 20 0 EGADMP Cc1nc(NCc2cccc(C[NH+](C)C)c2)cc(N2CCCC2)[nH+]1 ZINC001156043845 1380516060 /nfs/dbraw/zinc/51/60/60/1380516060.db2.gz BNIRRPULCMQDLK-UHFFFAOYSA-N 2 1 325.460 3.059 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)NC[C@@H](C)[N@@H+](CC)CCCF ZINC001156319456 1380557983 /nfs/dbraw/zinc/55/79/83/1380557983.db2.gz WRBIJCAQOXOFHO-QGZVFWFLSA-N 2 1 331.520 3.075 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428350 1380574889 /nfs/dbraw/zinc/57/48/89/1380574889.db2.gz KAJCVYBYUITALW-MRXNPFEDSA-N 2 1 334.508 3.168 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1CC ZINC001156516766 1380587151 /nfs/dbraw/zinc/58/71/51/1380587151.db2.gz DDLOZYLZDGDIKF-GOSISDBHSA-N 2 1 347.547 3.308 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1CC ZINC001156516766 1380587153 /nfs/dbraw/zinc/58/71/53/1380587153.db2.gz DDLOZYLZDGDIKF-GOSISDBHSA-N 2 1 347.547 3.308 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1CC ZINC001156516766 1380587156 /nfs/dbraw/zinc/58/71/56/1380587156.db2.gz DDLOZYLZDGDIKF-GOSISDBHSA-N 2 1 347.547 3.308 20 0 EGADMP CCN(C)c1cc(C)[nH+]c(NC[C@@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC001156522492 1380587597 /nfs/dbraw/zinc/58/75/97/1380587597.db2.gz AKMGPZCRCGJJCT-SFHVURJKSA-N 2 1 339.487 3.490 20 0 EGADMP CC1(C)C[N@@H+](CCC2CC2)CC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001328097984 1388669775 /nfs/dbraw/zinc/66/97/75/1388669775.db2.gz KFVIUSLCGQNZFZ-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157091777 1380774330 /nfs/dbraw/zinc/77/43/30/1380774330.db2.gz BDEHHRNUZKATTF-RTBURBONSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109006 1380777248 /nfs/dbraw/zinc/77/72/48/1380777248.db2.gz FVVATBMFABIKAF-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001157109006 1380777254 /nfs/dbraw/zinc/77/72/54/1380777254.db2.gz FVVATBMFABIKAF-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@@H+](Cc1ccccc1C1CC1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157112854 1380778572 /nfs/dbraw/zinc/77/85/72/1380778572.db2.gz AWCMLNLNJSGYBA-QGZVFWFLSA-N 2 1 345.531 3.231 20 0 EGADMP CC[NH+](Cc1ccccc1C1CC1)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157112854 1380778579 /nfs/dbraw/zinc/77/85/79/1380778579.db2.gz AWCMLNLNJSGYBA-QGZVFWFLSA-N 2 1 345.531 3.231 20 0 EGADMP CC[NH+](Cc1ccccc1C1CC1)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157112854 1380778584 /nfs/dbraw/zinc/77/85/84/1380778584.db2.gz AWCMLNLNJSGYBA-QGZVFWFLSA-N 2 1 345.531 3.231 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157118965 1380780223 /nfs/dbraw/zinc/78/02/23/1380780223.db2.gz QGMLSMPCLVZKNK-HKVOBHHDSA-N 2 1 337.552 3.290 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157255820 1380825326 /nfs/dbraw/zinc/82/53/26/1380825326.db2.gz MHNQIYKXIYHYFT-GOSISDBHSA-N 2 1 325.541 3.269 20 0 EGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CCCC[C@@]23CCC[NH2+]C3)n1 ZINC001157472346 1380924131 /nfs/dbraw/zinc/92/41/31/1380924131.db2.gz XCSDVLNPXVVKQV-IBGZPJMESA-N 2 1 348.922 3.443 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001157899265 1381064869 /nfs/dbraw/zinc/06/48/69/1381064869.db2.gz LWMWJZDTPQDUNH-RBUKOAKNSA-N 2 1 331.504 3.106 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001157899064 1381065208 /nfs/dbraw/zinc/06/52/08/1381065208.db2.gz IVUVQZVTDQTDMM-HKUYNNGSSA-N 2 1 331.504 3.025 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(CC[NH3+])c2cccnc2)nc1 ZINC001158001482 1381098836 /nfs/dbraw/zinc/09/88/36/1381098836.db2.gz JJYFCEGQDIMMMP-GOSISDBHSA-N 2 1 325.460 3.120 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CCCC1CCC1 ZINC001328254582 1388700093 /nfs/dbraw/zinc/70/00/93/1388700093.db2.gz DZDXZXKMYBCWJP-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1ccc2c(c1)cc(Cl)nc2N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158259816 1381175808 /nfs/dbraw/zinc/17/58/08/1381175808.db2.gz ACAAAYPZVFBEAB-HNNXBMFYSA-N 2 1 344.890 3.198 20 0 EGADMP Cc1ccc2c(c1)cc(Cl)nc2N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158259816 1381175809 /nfs/dbraw/zinc/17/58/09/1381175809.db2.gz ACAAAYPZVFBEAB-HNNXBMFYSA-N 2 1 344.890 3.198 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001158353935 1381213195 /nfs/dbraw/zinc/21/31/95/1381213195.db2.gz AZBOEGFLDQBCCU-QGZVFWFLSA-N 2 1 346.519 3.383 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC(C)C)C1 ZINC001158398347 1381230717 /nfs/dbraw/zinc/23/07/17/1381230717.db2.gz UYHNFYANUQZYNQ-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC(C)C)C1 ZINC001158398347 1381230724 /nfs/dbraw/zinc/23/07/24/1381230724.db2.gz UYHNFYANUQZYNQ-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC(C)C)C1 ZINC001158398347 1381230730 /nfs/dbraw/zinc/23/07/30/1381230730.db2.gz UYHNFYANUQZYNQ-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC001158418852 1381240269 /nfs/dbraw/zinc/24/02/69/1381240269.db2.gz BOBIXDSYZURRSZ-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001158428838 1381242685 /nfs/dbraw/zinc/24/26/85/1381242685.db2.gz WCRGLRZNRYJUCC-SQGPQFPESA-N 2 1 345.531 3.307 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC001158616692 1381323268 /nfs/dbraw/zinc/32/32/68/1381323268.db2.gz RESHLVRQSDAPAP-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CCCC1CCC1 ZINC001158704703 1381359836 /nfs/dbraw/zinc/35/98/36/1381359836.db2.gz RZBPBINCKFAHPC-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC1CCC1 ZINC001158704703 1381359844 /nfs/dbraw/zinc/35/98/44/1381359844.db2.gz RZBPBINCKFAHPC-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC1CCC1 ZINC001158704703 1381359848 /nfs/dbraw/zinc/35/98/48/1381359848.db2.gz RZBPBINCKFAHPC-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP C[N@@H+](CC1CCC1)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001158872290 1381443975 /nfs/dbraw/zinc/44/39/75/1381443975.db2.gz GKVYOTUDZRXYIE-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158913732 1381461468 /nfs/dbraw/zinc/46/14/68/1381461468.db2.gz AELNMNNWINIXGU-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001158949891 1381481848 /nfs/dbraw/zinc/48/18/48/1381481848.db2.gz UMZHFDZHPUAWML-LJQANCHMSA-N 2 1 337.552 3.366 20 0 EGADMP Cc1ccccc1C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001328362047 1388730274 /nfs/dbraw/zinc/73/02/74/1388730274.db2.gz XAFNFHARJJBJNG-AZUAARDMSA-N 2 1 345.531 3.100 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001159328611 1381764700 /nfs/dbraw/zinc/76/47/00/1381764700.db2.gz UFMFBDXGXRQKEM-HXUWFJFHSA-N 2 1 345.531 3.280 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001159335382 1381768113 /nfs/dbraw/zinc/76/81/13/1381768113.db2.gz ZIRFDMYWKGHQCU-LJQANCHMSA-N 2 1 337.552 3.317 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131957 1382009525 /nfs/dbraw/zinc/00/95/25/1382009525.db2.gz YCWDKJBKAZZKPM-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131957 1382009526 /nfs/dbraw/zinc/00/95/26/1382009526.db2.gz YCWDKJBKAZZKPM-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001160131957 1382009528 /nfs/dbraw/zinc/00/95/28/1382009528.db2.gz YCWDKJBKAZZKPM-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP CC[N@H+]1CCCC[C@H]1c1ccc(-n2cc3ccc(C[NH3+])cc3n2)nc1 ZINC001160142770 1382014510 /nfs/dbraw/zinc/01/45/10/1382014510.db2.gz ACBPURJJIJAURU-IBGZPJMESA-N 2 1 335.455 3.426 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169317 1382023252 /nfs/dbraw/zinc/02/32/52/1382023252.db2.gz PIFPJNFTKTXBKG-VQTJNVASSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001160169317 1382023258 /nfs/dbraw/zinc/02/32/58/1382023258.db2.gz PIFPJNFTKTXBKG-VQTJNVASSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001160169317 1382023262 /nfs/dbraw/zinc/02/32/62/1382023262.db2.gz PIFPJNFTKTXBKG-VQTJNVASSA-N 2 1 349.563 3.435 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1cccc(F)c1O[C@@H]1CC[NH2+]C1 ZINC001160182102 1382026565 /nfs/dbraw/zinc/02/65/65/1382026565.db2.gz OTHJWLXLTPXHNX-CYBMUJFWSA-N 2 1 330.407 3.079 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160273398 1382058675 /nfs/dbraw/zinc/05/86/75/1382058675.db2.gz LUBRTBVFQXDKJA-MSOLQXFVSA-N 2 1 331.504 3.026 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160352461 1382081314 /nfs/dbraw/zinc/08/13/14/1382081314.db2.gz IJRUKVWLXLHQPA-FQEVSTJZSA-N 2 1 347.547 3.069 20 0 EGADMP CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352461 1382081320 /nfs/dbraw/zinc/08/13/20/1382081320.db2.gz IJRUKVWLXLHQPA-FQEVSTJZSA-N 2 1 347.547 3.069 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352461 1382081323 /nfs/dbraw/zinc/08/13/23/1382081323.db2.gz IJRUKVWLXLHQPA-FQEVSTJZSA-N 2 1 347.547 3.069 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160379629 1382087502 /nfs/dbraw/zinc/08/75/02/1382087502.db2.gz MDYQDEWWVYBYJC-AATRIKPKSA-N 2 1 347.547 3.356 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001160379629 1382087507 /nfs/dbraw/zinc/08/75/07/1382087507.db2.gz MDYQDEWWVYBYJC-AATRIKPKSA-N 2 1 347.547 3.356 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001160379629 1382087509 /nfs/dbraw/zinc/08/75/09/1382087509.db2.gz MDYQDEWWVYBYJC-AATRIKPKSA-N 2 1 347.547 3.356 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160501051 1382125362 /nfs/dbraw/zinc/12/53/62/1382125362.db2.gz VPSUUXMGUPJONS-KKHYBRAUSA-N 2 1 347.547 3.356 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001160501051 1382125363 /nfs/dbraw/zinc/12/53/63/1382125363.db2.gz VPSUUXMGUPJONS-KKHYBRAUSA-N 2 1 347.547 3.356 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001160501051 1382125366 /nfs/dbraw/zinc/12/53/66/1382125366.db2.gz VPSUUXMGUPJONS-KKHYBRAUSA-N 2 1 347.547 3.356 20 0 EGADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328493518 1388763741 /nfs/dbraw/zinc/76/37/41/1388763741.db2.gz WMGZYNPURPBNKR-UHFFFAOYSA-N 2 1 330.472 3.254 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160805009 1382202392 /nfs/dbraw/zinc/20/23/92/1382202392.db2.gz YIUZNSSHOPHPRQ-UHFFFAOYSA-N 2 1 347.547 3.356 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC001293540002 1382297598 /nfs/dbraw/zinc/29/75/98/1382297598.db2.gz HBTZLMVBRNMISL-UFYCRDLUSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC001293540002 1382297603 /nfs/dbraw/zinc/29/76/03/1382297603.db2.gz HBTZLMVBRNMISL-UFYCRDLUSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC001293540002 1382297605 /nfs/dbraw/zinc/29/76/05/1382297605.db2.gz HBTZLMVBRNMISL-UFYCRDLUSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CCC[C@H](CC[N@@H+]2CC=C(CCNC(=O)CC[NH+](C)C)CC2)C1 ZINC001161106743 1382298737 /nfs/dbraw/zinc/29/87/37/1382298737.db2.gz JEJZUAKLTGFSFX-AZUAARDMSA-N 2 1 349.563 3.293 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCCC2=CC[NH+](CCC3CCCC3)CC2)C1 ZINC001161212840 1382343256 /nfs/dbraw/zinc/34/32/56/1382343256.db2.gz BOXDCLDRULDSGT-SFHVURJKSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NCCC2=CC[N@H+](CCC3CCCC3)CC2)C1 ZINC001161212840 1382343262 /nfs/dbraw/zinc/34/32/62/1382343262.db2.gz BOXDCLDRULDSGT-SFHVURJKSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NCCC2=CC[N@@H+](CCC3CCCC3)CC2)C1 ZINC001161212840 1382343268 /nfs/dbraw/zinc/34/32/68/1382343268.db2.gz BOXDCLDRULDSGT-SFHVURJKSA-N 2 1 347.547 3.047 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161220228 1382346070 /nfs/dbraw/zinc/34/60/70/1382346070.db2.gz ZGVSTDZCEMBPEV-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP COc1ccc2cc[nH+]c(NC3(Cc4ccccn4)CC[NH2+]CC3)c2c1 ZINC001161495612 1382422707 /nfs/dbraw/zinc/42/27/07/1382422707.db2.gz XXOKAXBGLZSJPW-UHFFFAOYSA-N 2 1 348.450 3.415 20 0 EGADMP COCCC1(CNc2[nH+]ccc3ccc(OC)cc32)CC[NH2+]CC1 ZINC001161502563 1382424243 /nfs/dbraw/zinc/42/42/43/1382424243.db2.gz FRPURTZSKGPOFS-UHFFFAOYSA-N 2 1 329.444 3.062 20 0 EGADMP CC[NH+](CC)CC(=O)NCCC1=CC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC001161504088 1382425058 /nfs/dbraw/zinc/42/50/58/1382425058.db2.gz AUOAKIAVDCKWAG-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP Cc1cccc(C[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)c1 ZINC001161525194 1382430229 /nfs/dbraw/zinc/43/02/29/1382430229.db2.gz XDFZADVUYMLYST-UHFFFAOYSA-N 2 1 345.531 3.244 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001161645120 1382468652 /nfs/dbraw/zinc/46/86/52/1382468652.db2.gz YQJYKNPONLVRRR-FQEVSTJZSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161925076 1382556014 /nfs/dbraw/zinc/55/60/14/1382556014.db2.gz WBZYVKWWVQDSSA-OALUTQOASA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC1=CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001161952661 1382569949 /nfs/dbraw/zinc/56/99/49/1382569949.db2.gz IDJTYZRAFSTSTB-GOSISDBHSA-N 2 1 343.515 3.226 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@@H+]([C@H](C)c2ccccc2)CC1 ZINC001161952661 1382569952 /nfs/dbraw/zinc/56/99/52/1382569952.db2.gz IDJTYZRAFSTSTB-GOSISDBHSA-N 2 1 343.515 3.226 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@H+]([C@H](C)c2ccccc2)CC1 ZINC001161952661 1382569954 /nfs/dbraw/zinc/56/99/54/1382569954.db2.gz IDJTYZRAFSTSTB-GOSISDBHSA-N 2 1 343.515 3.226 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161994072 1382592408 /nfs/dbraw/zinc/59/24/08/1382592408.db2.gz RZCQILMJCHKUES-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP CCN(C)c1cc[nH+]c(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)n1 ZINC001163314697 1383019641 /nfs/dbraw/zinc/01/96/41/1383019641.db2.gz GWJPQIKRTYBITH-INIZCTEOSA-N 2 1 329.492 3.165 20 0 EGADMP Cc1ccc(Cl)c(CNc2[nH+]cccc2N2CC[NH2+]CC2)c1F ZINC001163656378 1383096760 /nfs/dbraw/zinc/09/67/60/1383096760.db2.gz MBXMHONCCNSFMN-UHFFFAOYSA-N 2 1 334.826 3.204 20 0 EGADMP C[N@@H+](Cc1ccc(N2CC[NH+](C)C[C@@H]2c2ccccc2)nc1)C1CC1 ZINC001163674210 1383102610 /nfs/dbraw/zinc/10/26/10/1383102610.db2.gz JRICJHFTGIGYLA-HXUWFJFHSA-N 2 1 336.483 3.169 20 0 EGADMP C[NH+](Cc1ccc(N2CC[N@H+](C)C[C@@H]2c2ccccc2)nc1)C1CC1 ZINC001163674210 1383102611 /nfs/dbraw/zinc/10/26/11/1383102611.db2.gz JRICJHFTGIGYLA-HXUWFJFHSA-N 2 1 336.483 3.169 20 0 EGADMP C[NH+](Cc1ccc(N2CC[N@@H+](C)C[C@@H]2c2ccccc2)nc1)C1CC1 ZINC001163674210 1383102614 /nfs/dbraw/zinc/10/26/14/1383102614.db2.gz JRICJHFTGIGYLA-HXUWFJFHSA-N 2 1 336.483 3.169 20 0 EGADMP C(=C/c1ccccc1)\C[NH+]1CCN(c2cc(-n3ccnc3)cc[nH+]2)CC1 ZINC001163850479 1383129201 /nfs/dbraw/zinc/12/92/01/1383129201.db2.gz SCFJTXIFEAHYQQ-QPJJXVBHSA-N 2 1 345.450 3.103 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]CCC2CCCCC2)C1 ZINC001164449084 1383187972 /nfs/dbraw/zinc/18/79/72/1383187972.db2.gz CCDVYNOAFVFNJN-IBGZPJMESA-N 2 1 337.552 3.175 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001164514260 1383195266 /nfs/dbraw/zinc/19/52/66/1383195266.db2.gz NTEORPMGFAHQGF-GOSISDBHSA-N 2 1 349.563 3.172 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC1(C[NH2+]CC=C(C)C)CC1 ZINC001164578775 1383201051 /nfs/dbraw/zinc/20/10/51/1383201051.db2.gz QRHCONRJRYFAIX-QGZVFWFLSA-N 2 1 346.519 3.239 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001165332348 1383275647 /nfs/dbraw/zinc/27/56/47/1383275647.db2.gz IGCPKKDIJGNTES-SFHVURJKSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001165484255 1383300779 /nfs/dbraw/zinc/30/07/79/1383300779.db2.gz BTSWCOZOWRUCSH-INIZCTEOSA-N 2 1 346.519 3.073 20 0 EGADMP C[C@H]([NH2+]CC1(CCNC(=O)C[N@@H+](C)C2CCC2)CC1)c1ccccc1 ZINC001165501226 1383303680 /nfs/dbraw/zinc/30/36/80/1383303680.db2.gz COZIFQKGWZCBET-KRWDZBQOSA-N 2 1 343.515 3.108 20 0 EGADMP CC1CCC(C[NH2+]CC2(CCNC(=O)C[N@@H+](C)C3CCC3)CC2)CC1 ZINC001165501886 1383303937 /nfs/dbraw/zinc/30/39/37/1383303937.db2.gz QWBZLQDGZUPWPG-UHFFFAOYSA-N 2 1 349.563 3.173 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001167351728 1383606321 /nfs/dbraw/zinc/60/63/21/1383606321.db2.gz JOEPANYSDXYWTA-WAYWQWQTSA-N 2 1 346.519 3.239 20 0 EGADMP CC(C)=CC[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001167376742 1383614833 /nfs/dbraw/zinc/61/48/33/1383614833.db2.gz GFVBJKNZPCUNFE-UHFFFAOYSA-N 2 1 346.519 3.239 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385872 1383618837 /nfs/dbraw/zinc/61/88/37/1383618837.db2.gz WNCMJMQOBCSRSU-VOFKWLDRSA-N 2 1 349.563 3.482 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]C/C=C\Cl)CC1 ZINC001167471157 1383643181 /nfs/dbraw/zinc/64/31/81/1383643181.db2.gz YFGXDGCSRZKGES-XFFZJAGNSA-N 2 1 343.943 3.127 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CC2CCC(C)CC2)CC1 ZINC001167639578 1383695982 /nfs/dbraw/zinc/69/59/82/1383695982.db2.gz CLQYXUMHEDFLEN-UHFFFAOYSA-N 2 1 337.552 3.031 20 0 EGADMP CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001167694241 1383712518 /nfs/dbraw/zinc/71/25/18/1383712518.db2.gz HONZXNOEKCSBCN-SFHVURJKSA-N 2 1 337.552 3.317 20 0 EGADMP Cc1nc2cc(CNc3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)ccc2o1 ZINC001167756571 1383732262 /nfs/dbraw/zinc/73/22/62/1383732262.db2.gz LJXIBCHBOIHYPV-UHFFFAOYSA-N 2 1 333.395 3.083 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](Oc2ncncc2C)C1 ZINC001167833890 1383753492 /nfs/dbraw/zinc/75/34/92/1383753492.db2.gz FLLFQAHLWJTNRK-MSOLQXFVSA-N 2 1 334.508 3.139 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001167835524 1383754003 /nfs/dbraw/zinc/75/40/03/1383754003.db2.gz HMMJEMOAZYLFNS-MRXNPFEDSA-N 2 1 349.494 3.105 20 0 EGADMP COc1ccnc(C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167977349 1383784850 /nfs/dbraw/zinc/78/48/50/1383784850.db2.gz BIUWTAJSFIZIFV-AYHJJNSGSA-N 2 1 343.515 3.363 20 0 EGADMP CC(C)(C)OC(=O)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167978222 1383785254 /nfs/dbraw/zinc/78/52/54/1383785254.db2.gz MUVFQGJVQWRHJF-ALOPSCKCSA-N 2 1 336.520 3.349 20 0 EGADMP C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@@]1(O)C(F)(F)F ZINC001167982833 1383786779 /nfs/dbraw/zinc/78/67/79/1383786779.db2.gz BVLJDXFCXRXTIG-HYMJZGCSSA-N 2 1 346.437 3.027 20 0 EGADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@@]1(O)C(F)(F)F ZINC001167982833 1383786783 /nfs/dbraw/zinc/78/67/83/1383786783.db2.gz BVLJDXFCXRXTIG-HYMJZGCSSA-N 2 1 346.437 3.027 20 0 EGADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@@]1(O)C(F)(F)F ZINC001167982833 1383786791 /nfs/dbraw/zinc/78/67/91/1383786791.db2.gz BVLJDXFCXRXTIG-HYMJZGCSSA-N 2 1 346.437 3.027 20 0 EGADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@@]1(O)C(F)(F)F ZINC001167982833 1383786794 /nfs/dbraw/zinc/78/67/94/1383786794.db2.gz BVLJDXFCXRXTIG-HYMJZGCSSA-N 2 1 346.437 3.027 20 0 EGADMP CCOC(=O)[C@]1(C)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168003535 1383794358 /nfs/dbraw/zinc/79/43/58/1383794358.db2.gz OUTURRZUIUTYAK-NHJHPMQKSA-N 2 1 334.504 3.057 20 0 EGADMP CCOC(=O)[C@]1(C)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168003535 1383794360 /nfs/dbraw/zinc/79/43/60/1383794360.db2.gz OUTURRZUIUTYAK-NHJHPMQKSA-N 2 1 334.504 3.057 20 0 EGADMP CCOC(=O)[C@]1(C)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168003535 1383794362 /nfs/dbraw/zinc/79/43/62/1383794362.db2.gz OUTURRZUIUTYAK-NHJHPMQKSA-N 2 1 334.504 3.057 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168028907 1383800285 /nfs/dbraw/zinc/80/02/85/1383800285.db2.gz AEARBTIXFVGXKV-RTBURBONSA-N 2 1 335.536 3.070 20 0 EGADMP CC(=O)N[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168050639 1383804551 /nfs/dbraw/zinc/80/45/51/1383804551.db2.gz BZNUBWGOJCQFOG-HRQSHJORSA-N 2 1 343.515 3.029 20 0 EGADMP CC(=O)N[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168050639 1383804554 /nfs/dbraw/zinc/80/45/54/1383804554.db2.gz BZNUBWGOJCQFOG-HRQSHJORSA-N 2 1 343.515 3.029 20 0 EGADMP CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168050639 1383804556 /nfs/dbraw/zinc/80/45/56/1383804556.db2.gz BZNUBWGOJCQFOG-HRQSHJORSA-N 2 1 343.515 3.029 20 0 EGADMP CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168050639 1383804559 /nfs/dbraw/zinc/80/45/59/1383804559.db2.gz BZNUBWGOJCQFOG-HRQSHJORSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2CC3(C2)CC[NH+](C)CC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059483 1383806959 /nfs/dbraw/zinc/80/69/59/1383806959.db2.gz UEFPMTJTSFJYCA-CEQLMSFQSA-N 3 1 341.543 3.456 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2CC3(C2)CC[NH+](C)CC3)C[C@H](C)N1Cc1ccccc1 ZINC001168059483 1383806962 /nfs/dbraw/zinc/80/69/62/1383806962.db2.gz UEFPMTJTSFJYCA-CEQLMSFQSA-N 2 1 341.543 3.456 20 0 EGADMP C[C@@H]1C[C@@H](N2CC3(C2)CC[NH+](C)CC3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168059483 1383806969 /nfs/dbraw/zinc/80/69/69/1383806969.db2.gz UEFPMTJTSFJYCA-CEQLMSFQSA-N 2 1 341.543 3.456 20 0 EGADMP C[C@@H]1C[C@@H](N2CC3(C2)CC[NH+](C)CC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059483 1383806975 /nfs/dbraw/zinc/80/69/75/1383806975.db2.gz UEFPMTJTSFJYCA-CEQLMSFQSA-N 2 1 341.543 3.456 20 0 EGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001168165885 1383831226 /nfs/dbraw/zinc/83/12/26/1383831226.db2.gz KEMKTESCSBNDRO-DNVCBOLYSA-N 2 1 336.907 3.362 20 0 EGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001168165885 1383831228 /nfs/dbraw/zinc/83/12/28/1383831228.db2.gz KEMKTESCSBNDRO-DNVCBOLYSA-N 2 1 336.907 3.362 20 0 EGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001168178927 1383835566 /nfs/dbraw/zinc/83/55/66/1383835566.db2.gz YZPKXXKEAVDNHD-AWEZNQCLSA-N 2 1 335.879 3.401 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001168320582 1383872495 /nfs/dbraw/zinc/87/24/95/1383872495.db2.gz DRPQRIIVCLRBNU-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H]2CCNC(=O)OC(C)(C)C)CC1 ZINC001168327397 1383874185 /nfs/dbraw/zinc/87/41/85/1383874185.db2.gz MGZJEUHUMNFNRN-CGZBRXJRSA-N 2 1 339.524 3.238 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001168328937 1383874571 /nfs/dbraw/zinc/87/45/71/1383874571.db2.gz MMKFRTCXDUYBRR-PHZLKFDYSA-N 3 1 341.543 3.313 20 0 EGADMP C[NH+](C)C1CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001168328937 1383874574 /nfs/dbraw/zinc/87/45/74/1383874574.db2.gz MMKFRTCXDUYBRR-PHZLKFDYSA-N 3 1 341.543 3.313 20 0 EGADMP C[NH+](C)C1CCC([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001168328937 1383874579 /nfs/dbraw/zinc/87/45/79/1383874579.db2.gz MMKFRTCXDUYBRR-PHZLKFDYSA-N 3 1 341.543 3.313 20 0 EGADMP C[NH+](C)C1CCC(N2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001168328937 1383874582 /nfs/dbraw/zinc/87/45/82/1383874582.db2.gz MMKFRTCXDUYBRR-PHZLKFDYSA-N 2 1 341.543 3.313 20 0 EGADMP C[NH+](C)C1CCC(N2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001168328937 1383874587 /nfs/dbraw/zinc/87/45/87/1383874587.db2.gz MMKFRTCXDUYBRR-PHZLKFDYSA-N 2 1 341.543 3.313 20 0 EGADMP CCOC(=O)C1([N@@H+](Cc2ccccc2)C2CCC([NH+](C)C)CC2)CC1 ZINC001168333886 1383876104 /nfs/dbraw/zinc/87/61/04/1383876104.db2.gz FIYJBZHRYJQMKR-UHFFFAOYSA-N 2 1 344.499 3.457 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C1CC[NH+](CC2CC2)CC1 ZINC001168373397 1383888707 /nfs/dbraw/zinc/88/87/07/1383888707.db2.gz QMFSRDPSYMTPEV-QGZVFWFLSA-N 2 1 345.506 3.206 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C1CC[NH+](CC2CC2)CC1 ZINC001168373397 1383888709 /nfs/dbraw/zinc/88/87/09/1383888709.db2.gz QMFSRDPSYMTPEV-QGZVFWFLSA-N 2 1 345.506 3.206 20 0 EGADMP CC1(C)C[C@@H](CNc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)O1 ZINC001168451971 1383909310 /nfs/dbraw/zinc/90/93/10/1383909310.db2.gz CPPAXSVUPROMPX-HOTGVXAUSA-N 2 1 328.460 3.330 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168886141 1384046552 /nfs/dbraw/zinc/04/65/52/1384046552.db2.gz XOCMLLOINKHXFL-HOTGVXAUSA-N 2 1 327.513 3.048 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3cc(Cl)ccc3nc1CCC[NH3+])C2 ZINC001169098928 1384106837 /nfs/dbraw/zinc/10/68/37/1384106837.db2.gz MMUXJOGUIWCHIW-FICVDOATSA-N 2 1 332.879 3.379 20 0 EGADMP C[C@H]1CCC[N@H+](CCN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308198752 1384108265 /nfs/dbraw/zinc/10/82/65/1384108265.db2.gz BJXAEJSYXBEMQX-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H]1CCC[N@@H+](CCN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308198752 1384108266 /nfs/dbraw/zinc/10/82/66/1384108266.db2.gz BJXAEJSYXBEMQX-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H]1CCC[NH+](CCN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308198752 1384108268 /nfs/dbraw/zinc/10/82/68/1384108268.db2.gz BJXAEJSYXBEMQX-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H]1CCC[NH+](CCN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308198752 1384108270 /nfs/dbraw/zinc/10/82/70/1384108270.db2.gz BJXAEJSYXBEMQX-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP Cc1ccc(F)c(CN2CCC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001169112811 1384108789 /nfs/dbraw/zinc/10/87/89/1384108789.db2.gz SUQXBCKBOSBNPR-ACDBMABISA-N 2 1 345.506 3.313 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(O)(c3ccc(Cl)cc3)CC1)C2 ZINC001169122891 1384110616 /nfs/dbraw/zinc/11/06/16/1384110616.db2.gz FWIMTBWPSUJXJS-BCDXTJNWSA-N 2 1 334.891 3.249 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(OCc3ccc(F)cc3)CC1)C2 ZINC001169139695 1384112348 /nfs/dbraw/zinc/11/23/48/1384112348.db2.gz DPBSPZMHSVWXGZ-BWTSREIZSA-N 2 1 332.463 3.432 20 0 EGADMP C[N@@H+](Cc1ccccc1F)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169152689 1384115510 /nfs/dbraw/zinc/11/55/10/1384115510.db2.gz DHYMRCARFAEOCP-PMOLBWCYSA-N 2 1 345.506 3.347 20 0 EGADMP C[NH+](Cc1ccccc1F)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169152689 1384115511 /nfs/dbraw/zinc/11/55/11/1384115511.db2.gz DHYMRCARFAEOCP-PMOLBWCYSA-N 2 1 345.506 3.347 20 0 EGADMP C[NH+](Cc1ccccc1F)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169152689 1384115512 /nfs/dbraw/zinc/11/55/12/1384115512.db2.gz DHYMRCARFAEOCP-PMOLBWCYSA-N 2 1 345.506 3.347 20 0 EGADMP CN(Cc1ccccc1F)C1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169152689 1384115513 /nfs/dbraw/zinc/11/55/13/1384115513.db2.gz DHYMRCARFAEOCP-PMOLBWCYSA-N 2 1 345.506 3.347 20 0 EGADMP CN(Cc1ccccc1F)C1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169152689 1384115515 /nfs/dbraw/zinc/11/55/15/1384115515.db2.gz DHYMRCARFAEOCP-PMOLBWCYSA-N 2 1 345.506 3.347 20 0 EGADMP CC1(C)CCC[C@@H](C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001308283095 1384116128 /nfs/dbraw/zinc/11/61/28/1384116128.db2.gz PXLGJKIYFUJKHH-TZIWHRDSSA-N 2 1 330.516 3.429 20 0 EGADMP CC1(C)CCC[C@@H](C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001308283095 1384116129 /nfs/dbraw/zinc/11/61/29/1384116129.db2.gz PXLGJKIYFUJKHH-TZIWHRDSSA-N 2 1 330.516 3.429 20 0 EGADMP CC[NH+]1CCC([N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC001169247034 1384127123 /nfs/dbraw/zinc/12/71/23/1384127123.db2.gz WUHMRTFIXPAFKP-HZPDHXFCSA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+]1CCC([N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC001169247034 1384127125 /nfs/dbraw/zinc/12/71/25/1384127125.db2.gz WUHMRTFIXPAFKP-HZPDHXFCSA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+]1CCC([N@@H+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)CC1 ZINC001169249655 1384127621 /nfs/dbraw/zinc/12/76/21/1384127621.db2.gz ILLDZTOGFAMFCT-BMGDILEWSA-N 2 1 347.528 3.267 20 0 EGADMP CC[NH+]1CCC([N@H+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)CC1 ZINC001169249655 1384127622 /nfs/dbraw/zinc/12/76/22/1384127622.db2.gz ILLDZTOGFAMFCT-BMGDILEWSA-N 2 1 347.528 3.267 20 0 EGADMP CCOC(=O)N1CCC[C@@H]([N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])CC1 ZINC001169664514 1384170269 /nfs/dbraw/zinc/17/02/69/1384170269.db2.gz OAHYHCIQEBMFPK-IEBWSBKVSA-N 2 1 347.503 3.094 20 0 EGADMP CCOC(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])CC1 ZINC001169664513 1384170450 /nfs/dbraw/zinc/17/04/50/1384170450.db2.gz OAHYHCIQEBMFPK-HKUYNNGSSA-N 2 1 347.503 3.094 20 0 EGADMP C[N@H+]1CCCC[C@H]1c1ccc(-n2cc(CC[NH3+])c3ncccc32)nc1 ZINC001169706796 1384175672 /nfs/dbraw/zinc/17/56/72/1384175672.db2.gz UTALRZCFJBXGPS-KRWDZBQOSA-N 2 1 335.455 3.079 20 0 EGADMP Oc1cccnc1CNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001169731362 1384180086 /nfs/dbraw/zinc/18/00/86/1384180086.db2.gz PBFJVIXGPPAFQB-OAHLLOKOSA-N 2 1 337.427 3.064 20 0 EGADMP Cc1cc(C)cc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001169798914 1384187326 /nfs/dbraw/zinc/18/73/26/1384187326.db2.gz SPKVIAZWCVFQCD-QUCCMNQESA-N 2 1 345.531 3.162 20 0 EGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC2(C1)OCCO2 ZINC001169954462 1384204068 /nfs/dbraw/zinc/20/40/68/1384204068.db2.gz ATHSEHIHDZFEGU-UXHICEINSA-N 2 1 344.499 3.126 20 0 EGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC2(C1)OCCO2 ZINC001169954462 1384204069 /nfs/dbraw/zinc/20/40/69/1384204069.db2.gz ATHSEHIHDZFEGU-UXHICEINSA-N 2 1 344.499 3.126 20 0 EGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC2(C1)OCCO2 ZINC001169954462 1384204074 /nfs/dbraw/zinc/20/40/74/1384204074.db2.gz ATHSEHIHDZFEGU-UXHICEINSA-N 2 1 344.499 3.126 20 0 EGADMP C[N@@H+](C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCC2(C1)OCCO2 ZINC001169966771 1384206550 /nfs/dbraw/zinc/20/65/50/1384206550.db2.gz WFJUPBHRNJUYEQ-IBGZPJMESA-N 2 1 336.520 3.401 20 0 EGADMP C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)C1 ZINC001170137801 1384245751 /nfs/dbraw/zinc/24/57/51/1384245751.db2.gz OUMWPOYQCCPGOF-HOJAQTOUSA-N 2 1 343.515 3.326 20 0 EGADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001170239355 1384273811 /nfs/dbraw/zinc/27/38/11/1384273811.db2.gz MKGJCBVVEZXZJV-UWHLTILDSA-N 2 1 328.500 3.398 20 0 EGADMP CC[C@@H]1C[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001170239355 1384273813 /nfs/dbraw/zinc/27/38/13/1384273813.db2.gz MKGJCBVVEZXZJV-UWHLTILDSA-N 2 1 328.500 3.398 20 0 EGADMP CC[C@@H]1C[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC001170239355 1384273815 /nfs/dbraw/zinc/27/38/15/1384273815.db2.gz MKGJCBVVEZXZJV-UWHLTILDSA-N 2 1 328.500 3.398 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC1=CCCCC1 ZINC001170784901 1384384340 /nfs/dbraw/zinc/38/43/40/1384384340.db2.gz MFDBXRIFBTYXED-IBGZPJMESA-N 2 1 335.536 3.237 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(CC)CC ZINC001170785976 1384385396 /nfs/dbraw/zinc/38/53/96/1384385396.db2.gz YAKBTEGZHKBUBP-SFHVURJKSA-N 2 1 325.541 3.173 20 0 EGADMP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC001170792809 1384386542 /nfs/dbraw/zinc/38/65/42/1384386542.db2.gz SPHPHNVWGQPOBQ-DGXAPEILSA-N 2 1 334.463 3.132 20 0 EGADMP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001171120988 1384449647 /nfs/dbraw/zinc/44/96/47/1384449647.db2.gz QTTQKAPXVXECSF-OXUXSNCKSA-N 2 1 337.552 3.482 20 0 EGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171245962 1384477791 /nfs/dbraw/zinc/47/77/91/1384477791.db2.gz CMCOSARPYFGWSK-HKUYNNGSSA-N 2 1 337.552 3.458 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171253974 1384479264 /nfs/dbraw/zinc/47/92/64/1384479264.db2.gz OGWVYQHIJQKIIZ-QGZVFWFLSA-N 2 1 349.563 3.316 20 0 EGADMP COc1ccc(Cl)c2c1C[C@@H]([N@@H+]1CC[C@]3(CC[NH+](C)C3)C1)CC2 ZINC001171325627 1384495341 /nfs/dbraw/zinc/49/53/41/1384495341.db2.gz BPQZMIPSPMDNIR-LIRRHRJNSA-N 2 1 334.891 3.234 20 0 EGADMP COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CC[C@]3(CC[NH+](C)C3)C1)CC2 ZINC001171325627 1384495342 /nfs/dbraw/zinc/49/53/42/1384495342.db2.gz BPQZMIPSPMDNIR-LIRRHRJNSA-N 2 1 334.891 3.234 20 0 EGADMP COc1ccc(Cl)c2c1C[C@@H]([NH+]1CC[C@]3(CC[N@H+](C)C3)C1)CC2 ZINC001171325627 1384495347 /nfs/dbraw/zinc/49/53/47/1384495347.db2.gz BPQZMIPSPMDNIR-LIRRHRJNSA-N 2 1 334.891 3.234 20 0 EGADMP COc1ccc(Cl)c2c1C[C@@H]([NH+]1CC[C@]3(CC[N@@H+](C)C3)C1)CC2 ZINC001171325627 1384495348 /nfs/dbraw/zinc/49/53/48/1384495348.db2.gz BPQZMIPSPMDNIR-LIRRHRJNSA-N 2 1 334.891 3.234 20 0 EGADMP c1ccc(C[N@@H+]2CCc3c(ccnc3NC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001171326974 1384495706 /nfs/dbraw/zinc/49/57/06/1384495706.db2.gz BARXNLXWIGAHDN-LJQANCHMSA-N 2 1 336.483 3.194 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001316636621 1384497869 /nfs/dbraw/zinc/49/78/69/1384497869.db2.gz PIWPTPRRPFXOQK-WDSOQIARSA-N 2 1 349.563 3.029 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171505861 1384545184 /nfs/dbraw/zinc/54/51/84/1384545184.db2.gz NHBMSJATEKUDJC-TZMCWYRMSA-N 2 1 326.406 3.283 20 0 EGADMP Fc1cc2c(c(F)c1F)C[C@@H]([NH+]1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001171531360 1384553450 /nfs/dbraw/zinc/55/34/50/1384553450.db2.gz YDKFPIAQBLWNQF-HNNXBMFYSA-N 2 1 347.384 3.178 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001171586873 1384573287 /nfs/dbraw/zinc/57/32/87/1384573287.db2.gz USAKZIRJEMJASQ-INIZCTEOSA-N 2 1 327.557 3.418 20 0 EGADMP CC(C)[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001171618651 1384581494 /nfs/dbraw/zinc/58/14/94/1384581494.db2.gz LUCHJNYKGSEYJQ-INIZCTEOSA-N 2 1 325.541 3.312 20 0 EGADMP Cc1cnccc1O[C@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641907 1384590081 /nfs/dbraw/zinc/59/00/81/1384590081.db2.gz VSPAPZFTUMCXHT-KRWDZBQOSA-N 2 1 331.504 3.495 20 0 EGADMP C[NH+]1C(C)(C)CC([NH+]2CCN(c3cccc(O)c3)CC2)CC1(C)C ZINC001171642553 1384590696 /nfs/dbraw/zinc/59/06/96/1384590696.db2.gz KVEYLMFNSGHULK-UHFFFAOYSA-N 2 1 331.504 3.166 20 0 EGADMP Cc1ncn([C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1CSCC[NH3+] ZINC001171728937 1384615633 /nfs/dbraw/zinc/61/56/33/1384615633.db2.gz SFMCMCJARIYNTG-YJBOKZPZSA-N 2 1 344.528 3.219 20 0 EGADMP C[C@H]1C[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC001171732433 1384618491 /nfs/dbraw/zinc/61/84/91/1384618491.db2.gz AINPHKQRZLKPOK-JBINPLMMSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171732433 1384618494 /nfs/dbraw/zinc/61/84/94/1384618494.db2.gz AINPHKQRZLKPOK-JBINPLMMSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171732433 1384618497 /nfs/dbraw/zinc/61/84/97/1384618497.db2.gz AINPHKQRZLKPOK-JBINPLMMSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@@H](N2CCC[C@@H]2C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171765268 1384629676 /nfs/dbraw/zinc/62/96/76/1384629676.db2.gz XNGZNAPDCLUCST-CEWLAPEOSA-N 2 1 327.516 3.210 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCCC[NH2+]CCC1CCCC1 ZINC001171822204 1384651411 /nfs/dbraw/zinc/65/14/11/1384651411.db2.gz UYOLTTYSGADFEH-INIZCTEOSA-N 2 1 334.508 3.036 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171826591 1384653136 /nfs/dbraw/zinc/65/31/36/1384653136.db2.gz RDFUKKZFSUDGTI-QGZVFWFLSA-N 2 1 348.535 3.073 20 0 EGADMP CC(C)(C)OC(=O)C1CCC([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CC1 ZINC001171927662 1384684411 /nfs/dbraw/zinc/68/44/11/1384684411.db2.gz VLPXGFWTAGTQHQ-UHFFFAOYSA-N 2 1 348.531 3.305 20 0 EGADMP CC(C)(C)OC(=O)C1CCC([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1 ZINC001171927662 1384684417 /nfs/dbraw/zinc/68/44/17/1384684417.db2.gz VLPXGFWTAGTQHQ-UHFFFAOYSA-N 2 1 348.531 3.305 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171973897 1384699400 /nfs/dbraw/zinc/69/94/00/1384699400.db2.gz ATIRWUAOBZPMOQ-QYZOEREBSA-N 2 1 344.499 3.361 20 0 EGADMP CCOC(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973147 1384699591 /nfs/dbraw/zinc/69/95/91/1384699591.db2.gz WMXDDHKHASTQMM-SJLPKXTDSA-N 2 1 332.488 3.361 20 0 EGADMP CC1(C)C[C@H]([NH2+]Cc2ccnn2CCF)CC[N@@H+]1Cc1ccccc1 ZINC001171979780 1384701618 /nfs/dbraw/zinc/70/16/18/1384701618.db2.gz QWMKUSGUDBITEY-GOSISDBHSA-N 2 1 344.478 3.385 20 0 EGADMP CC1(C)C[C@H]([NH2+]Cc2ccnn2CCF)CC[N@H+]1Cc1ccccc1 ZINC001171979780 1384701621 /nfs/dbraw/zinc/70/16/21/1384701621.db2.gz QWMKUSGUDBITEY-GOSISDBHSA-N 2 1 344.478 3.385 20 0 EGADMP C[N@H+]1CC[C@H](CN[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061637 1384714506 /nfs/dbraw/zinc/71/45/06/1384714506.db2.gz ICCWYPANLXDLSY-NCYKPQTJSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1CC[C@H](CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172061637 1384714509 /nfs/dbraw/zinc/71/45/09/1384714509.db2.gz ICCWYPANLXDLSY-NCYKPQTJSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1CC[C@H](CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172061637 1384714512 /nfs/dbraw/zinc/71/45/12/1384714512.db2.gz ICCWYPANLXDLSY-NCYKPQTJSA-N 2 1 327.516 3.113 20 0 EGADMP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061637 1384714516 /nfs/dbraw/zinc/71/45/16/1384714516.db2.gz ICCWYPANLXDLSY-NCYKPQTJSA-N 3 1 327.516 3.113 20 0 EGADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061637 1384714518 /nfs/dbraw/zinc/71/45/18/1384714518.db2.gz ICCWYPANLXDLSY-NCYKPQTJSA-N 3 1 327.516 3.113 20 0 EGADMP C[NH+]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172061637 1384714521 /nfs/dbraw/zinc/71/45/21/1384714521.db2.gz ICCWYPANLXDLSY-NCYKPQTJSA-N 3 1 327.516 3.113 20 0 EGADMP C[NH+]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172061637 1384714524 /nfs/dbraw/zinc/71/45/24/1384714524.db2.gz ICCWYPANLXDLSY-NCYKPQTJSA-N 3 1 327.516 3.113 20 0 EGADMP CC(C)(C)[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(N)=O ZINC001172063709 1384715386 /nfs/dbraw/zinc/71/53/86/1384715386.db2.gz CQPSMMZUMAIROF-FCGDIQPGSA-N 2 1 343.515 3.062 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CC[NH+]4CCC2CC4)C3)cc1 ZINC001172081910 1384723072 /nfs/dbraw/zinc/72/30/72/1384723072.db2.gz ICIRMTVXVQKWPH-KOUNCHBCSA-N 2 1 339.527 3.352 20 0 EGADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@]24CCOC4)C3)cc1 ZINC001172090989 1384724911 /nfs/dbraw/zinc/72/49/11/1384724911.db2.gz ZGQOMFQMFFDJFB-IVAOSVALSA-N 2 1 326.484 3.437 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@]24CCOC4)C3)cc1 ZINC001172090989 1384724920 /nfs/dbraw/zinc/72/49/20/1384724920.db2.gz ZGQOMFQMFFDJFB-IVAOSVALSA-N 2 1 326.484 3.437 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CC[C@]24CCOC4)C3)cc1 ZINC001172090989 1384724923 /nfs/dbraw/zinc/72/49/23/1384724923.db2.gz ZGQOMFQMFFDJFB-IVAOSVALSA-N 2 1 326.484 3.437 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CC[C@]24CCOC4)C3)cc1 ZINC001172090989 1384724926 /nfs/dbraw/zinc/72/49/26/1384724926.db2.gz ZGQOMFQMFFDJFB-IVAOSVALSA-N 2 1 326.484 3.437 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)C2 ZINC001172110729 1384729516 /nfs/dbraw/zinc/72/95/16/1384729516.db2.gz NVWIDMWEEBTCJU-PHZGNYQRSA-N 2 1 339.524 3.285 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC([NH3+])(Cc3cccc(F)c3)CC1)C2 ZINC001172110611 1384730233 /nfs/dbraw/zinc/73/02/33/1384730233.db2.gz KXGMTHYZVUNPMB-ACDBMABISA-N 2 1 345.506 3.177 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]31)C2 ZINC001172118047 1384732571 /nfs/dbraw/zinc/73/25/71/1384732571.db2.gz UFPROLXCRUVMBK-XHCJJCCMSA-N 2 1 348.531 3.050 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]31)C2 ZINC001172118047 1384732574 /nfs/dbraw/zinc/73/25/74/1384732574.db2.gz UFPROLXCRUVMBK-XHCJJCCMSA-N 2 1 348.531 3.050 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]31)C2 ZINC001172118047 1384732575 /nfs/dbraw/zinc/73/25/75/1384732575.db2.gz UFPROLXCRUVMBK-XHCJJCCMSA-N 2 1 348.531 3.050 20 0 EGADMP COc1ccccc1O[C@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121749 1384733832 /nfs/dbraw/zinc/73/38/32/1384733832.db2.gz LXBUEWHJIQDWHR-MLHJIOFPSA-N 2 1 330.472 3.164 20 0 EGADMP COc1ccccc1O[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172121749 1384733835 /nfs/dbraw/zinc/73/38/35/1384733835.db2.gz LXBUEWHJIQDWHR-MLHJIOFPSA-N 2 1 330.472 3.164 20 0 EGADMP COc1ccccc1O[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121749 1384733836 /nfs/dbraw/zinc/73/38/36/1384733836.db2.gz LXBUEWHJIQDWHR-MLHJIOFPSA-N 2 1 330.472 3.164 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(COc4ccccc43)CC1)C2 ZINC001172122438 1384734303 /nfs/dbraw/zinc/73/43/03/1384734303.db2.gz BBLXUDSNZMTAOY-PIIMJCKOSA-N 2 1 326.484 3.428 20 0 EGADMP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172130420 1384738071 /nfs/dbraw/zinc/73/80/71/1384738071.db2.gz PBFIOCKENPIRHD-YSTOQKLRSA-N 2 1 348.531 3.447 20 0 EGADMP COCCC[NH+]1CCC([NH2+]C2(Cc3ccc(F)cc3)CCC2)CC1 ZINC001172248921 1384756015 /nfs/dbraw/zinc/75/60/15/1384756015.db2.gz SVPQDXZFCTXVCY-UHFFFAOYSA-N 2 1 334.479 3.381 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H](Oc3ccc(C)cc3)C2)CC1 ZINC001172253696 1384757370 /nfs/dbraw/zinc/75/73/70/1384757370.db2.gz AUZCZIITWXASMD-OAQYLSRUSA-N 2 1 346.515 3.339 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H](Oc3ccc(C)cc3)C2)CC1 ZINC001172253696 1384757371 /nfs/dbraw/zinc/75/73/71/1384757371.db2.gz AUZCZIITWXASMD-OAQYLSRUSA-N 2 1 346.515 3.339 20 0 EGADMP CC[C@@H](C)OCC[C@@H](C)[NH2+]C1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001172319491 1384768653 /nfs/dbraw/zinc/76/86/53/1384768653.db2.gz RHDQEDFFGOWVAR-JYMZVQIXSA-N 2 1 342.524 3.152 20 0 EGADMP CC[C@H](CC(C)C)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001172399386 1384783721 /nfs/dbraw/zinc/78/37/21/1384783721.db2.gz GQZPAMULPPDYFF-GOSISDBHSA-N 2 1 348.535 3.114 20 0 EGADMP CC[C@H](CC(C)C)[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001172399386 1384783723 /nfs/dbraw/zinc/78/37/23/1384783723.db2.gz GQZPAMULPPDYFF-GOSISDBHSA-N 2 1 348.535 3.114 20 0 EGADMP CC[C@H](CC(C)C)[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001172399386 1384783726 /nfs/dbraw/zinc/78/37/26/1384783726.db2.gz GQZPAMULPPDYFF-GOSISDBHSA-N 2 1 348.535 3.114 20 0 EGADMP C[NH+](C)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001317098531 1384861347 /nfs/dbraw/zinc/86/13/47/1384861347.db2.gz UWQIEWPFBBQPCW-IHWFROFDSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001173081966 1384910325 /nfs/dbraw/zinc/91/03/25/1384910325.db2.gz HZSOAFGNJZTYHC-UKRRQHHQSA-N 2 1 330.394 3.448 20 0 EGADMP CCCC[C@@H](CC(C)C)[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001173261037 1384946256 /nfs/dbraw/zinc/94/62/56/1384946256.db2.gz NSJALXCNTOONLW-HSALFYBXSA-N 2 1 340.552 3.260 20 0 EGADMP CCCC[C@@H](CC(C)C)[NH+]1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001173261037 1384946259 /nfs/dbraw/zinc/94/62/59/1384946259.db2.gz NSJALXCNTOONLW-HSALFYBXSA-N 2 1 340.552 3.260 20 0 EGADMP CCCC[C@@H](CC(C)C)[NH+]1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001173261037 1384946262 /nfs/dbraw/zinc/94/62/62/1384946262.db2.gz NSJALXCNTOONLW-HSALFYBXSA-N 2 1 340.552 3.260 20 0 EGADMP CC[C@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)C1 ZINC001173276559 1384948779 /nfs/dbraw/zinc/94/87/79/1384948779.db2.gz IWRUSIMZVUTQPZ-PKOBYXMFSA-N 2 1 330.520 3.429 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1Cc1cc(C)ccc1C ZINC001317180223 1384955253 /nfs/dbraw/zinc/95/52/53/1384955253.db2.gz IUSSZHDSLUNAGH-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C)ccc1C ZINC001317180223 1384955259 /nfs/dbraw/zinc/95/52/59/1384955259.db2.gz IUSSZHDSLUNAGH-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C)ccc1C ZINC001317180223 1384955265 /nfs/dbraw/zinc/95/52/65/1384955265.db2.gz IUSSZHDSLUNAGH-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173743728 1385012518 /nfs/dbraw/zinc/01/25/18/1385012518.db2.gz MPKXUWSQJHPJMB-DSLXNQLJSA-N 2 1 346.523 3.061 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173743735 1385012740 /nfs/dbraw/zinc/01/27/40/1385012740.db2.gz MPKXUWSQJHPJMB-WNHJNPCNSA-N 2 1 346.523 3.061 20 0 EGADMP C[N@@H+]1CCc2ccc(Nc3ccc(C[NH+]4CCOCC4)cc3)cc2C1 ZINC001174447367 1385110514 /nfs/dbraw/zinc/11/05/14/1385110514.db2.gz OJPPOBJGBGGTFI-UHFFFAOYSA-N 2 1 337.467 3.250 20 0 EGADMP C[N@H+]1CCc2ccc(Nc3ccc(C[NH+]4CCOCC4)cc3)cc2C1 ZINC001174447367 1385110515 /nfs/dbraw/zinc/11/05/15/1385110515.db2.gz OJPPOBJGBGGTFI-UHFFFAOYSA-N 2 1 337.467 3.250 20 0 EGADMP C[C@H](CCCC[NH2+]CCCCCF)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174905193 1385168385 /nfs/dbraw/zinc/16/83/85/1385168385.db2.gz HFSGHENTEFXBQD-SQNIBIBYSA-N 2 1 343.531 3.121 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174906697 1385168640 /nfs/dbraw/zinc/16/86/40/1385168640.db2.gz WUCKBIDURUDBCP-FHWLQOOXSA-N 2 1 339.568 3.418 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001317482739 1385179418 /nfs/dbraw/zinc/17/94/18/1385179418.db2.gz WTMXVSHFDDADJO-OALUTQOASA-N 2 1 349.494 3.199 20 0 EGADMP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001175262305 1385233579 /nfs/dbraw/zinc/23/35/79/1385233579.db2.gz FPNUBOCHTDXWNA-OALUTQOASA-N 2 1 345.531 3.101 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175262573 1385233807 /nfs/dbraw/zinc/23/38/07/1385233807.db2.gz HQYCDLICEIWEDN-ROUUACIJSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175264765 1385234608 /nfs/dbraw/zinc/23/46/08/1385234608.db2.gz VVZIACXBVXMYFY-MJGOQNOKSA-N 2 1 345.531 3.101 20 0 EGADMP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CCNC(=O)OC(C)(C)C)CC1 ZINC001175352791 1385263300 /nfs/dbraw/zinc/26/33/00/1385263300.db2.gz RUOVXYJIGSXGQA-KRWDZBQOSA-N 2 1 339.524 3.098 20 0 EGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCNC(=O)OC(C)(C)C)CC1 ZINC001175352791 1385263304 /nfs/dbraw/zinc/26/33/04/1385263304.db2.gz RUOVXYJIGSXGQA-KRWDZBQOSA-N 2 1 339.524 3.098 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]C[C@@H](C)CC(C)C ZINC001176024524 1385464121 /nfs/dbraw/zinc/46/41/21/1385464121.db2.gz PEVATYLTQSLVDC-ZWKOTPCHSA-N 2 1 327.557 3.275 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C)c1 ZINC001176024753 1385464311 /nfs/dbraw/zinc/46/43/11/1385464311.db2.gz ROJJMYDMWGIADC-SFHVURJKSA-N 2 1 333.520 3.101 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176164339 1385500258 /nfs/dbraw/zinc/50/02/58/1385500258.db2.gz ARXNNZDLXXGMOO-IAGOWNOFSA-N 2 1 337.552 3.029 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@H](C[N@@H+](C)CCC2CC2)C1 ZINC001317839871 1385525423 /nfs/dbraw/zinc/52/54/23/1385525423.db2.gz MBMSXKDSPFFAEH-INIZCTEOSA-N 2 1 349.544 3.004 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001176285033 1385539080 /nfs/dbraw/zinc/53/90/80/1385539080.db2.gz LXIPEQBGUBHAHE-QGZVFWFLSA-N 2 1 325.541 3.173 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001317988274 1385601952 /nfs/dbraw/zinc/60/19/52/1385601952.db2.gz SGTNQNRGRINOBQ-OALUTQOASA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC001317988274 1385601959 /nfs/dbraw/zinc/60/19/59/1385601959.db2.gz SGTNQNRGRINOBQ-OALUTQOASA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001317988274 1385601962 /nfs/dbraw/zinc/60/19/62/1385601962.db2.gz SGTNQNRGRINOBQ-OALUTQOASA-N 2 1 345.531 3.369 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176564136 1385626137 /nfs/dbraw/zinc/62/61/37/1385626137.db2.gz LWMXLKCPDFYUAX-IRXDYDNUSA-N 2 1 325.541 3.029 20 0 EGADMP C[C@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176566149 1385627200 /nfs/dbraw/zinc/62/72/00/1385627200.db2.gz YWVKOIUXRNQUBQ-IEBWSBKVSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176566216 1385627468 /nfs/dbraw/zinc/62/74/68/1385627468.db2.gz ZQEYBSHRKXFGSY-PKOBYXMFSA-N 2 1 335.536 3.093 20 0 EGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176760071 1385686644 /nfs/dbraw/zinc/68/66/44/1385686644.db2.gz POCIEZYUZWYIAV-MSOLQXFVSA-N 2 1 325.541 3.316 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001176991445 1385765827 /nfs/dbraw/zinc/76/58/27/1385765827.db2.gz BBLORDDQRRJBBG-MOPGFXCFSA-N 2 1 331.504 3.108 20 0 EGADMP C[C@H](CN[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCCCC1 ZINC001177416562 1385949728 /nfs/dbraw/zinc/94/97/28/1385949728.db2.gz SBURKPHMWDGVKO-SBHAEUEKSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](C[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)C[NH+]1CCCCC1 ZINC001177416562 1385949731 /nfs/dbraw/zinc/94/97/31/1385949731.db2.gz SBURKPHMWDGVKO-SBHAEUEKSA-N 2 1 329.532 3.219 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(CCC[NH2+]CC1CCC1)CC1CCCC1 ZINC001177456368 1385962465 /nfs/dbraw/zinc/96/24/65/1385962465.db2.gz SGQHQBHMDCMVBG-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(CCC[NH2+]CC=C(C)C)CC1CCCC1 ZINC001177455763 1385962776 /nfs/dbraw/zinc/96/27/76/1385962776.db2.gz HFHPWSDQLJWISJ-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001177489058 1385976561 /nfs/dbraw/zinc/97/65/61/1385976561.db2.gz SDSIFSFDUJXGOL-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001178045919 1386115558 /nfs/dbraw/zinc/11/55/58/1386115558.db2.gz ZJAJCFRAHKJJBB-ICSRJNTNSA-N 2 1 345.531 3.416 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001319559481 1386178057 /nfs/dbraw/zinc/17/80/57/1386178057.db2.gz SBSBPMFZTPMMGM-IRXDYDNUSA-N 2 1 345.531 3.015 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178523418 1386240712 /nfs/dbraw/zinc/24/07/12/1386240712.db2.gz YREZGJREQCUHMZ-IPMKNSEASA-N 2 1 339.568 3.275 20 0 EGADMP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001178698672 1386281623 /nfs/dbraw/zinc/28/16/23/1386281623.db2.gz QIQHKUQFBOVTQA-SFHVURJKSA-N 2 1 348.535 3.463 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@@H]1CCCc2[nH+]ccn21 ZINC001178698703 1386281632 /nfs/dbraw/zinc/28/16/32/1386281632.db2.gz RIFLZQCHOOEBES-SFHVURJKSA-N 2 1 346.519 3.217 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC001319755258 1386282857 /nfs/dbraw/zinc/28/28/57/1386282857.db2.gz OTTAOZFHZZCNRX-IEBWSBKVSA-N 2 1 326.488 3.314 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC001319755258 1386282859 /nfs/dbraw/zinc/28/28/59/1386282859.db2.gz OTTAOZFHZZCNRX-IEBWSBKVSA-N 2 1 326.488 3.314 20 0 EGADMP Cc1cccc(C[NH2+]CCCCCCNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001178701719 1386283535 /nfs/dbraw/zinc/28/35/35/1386283535.db2.gz BEXFGZYUDWEOLG-UHFFFAOYSA-N 2 1 345.531 3.246 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178810574 1386313723 /nfs/dbraw/zinc/31/37/23/1386313723.db2.gz HBJQTYGFBNZERR-UXHICEINSA-N 2 1 349.563 3.460 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179409160 1386477930 /nfs/dbraw/zinc/47/79/30/1386477930.db2.gz HPSQEUMBVSVMRN-KHLCDENLSA-N 2 1 335.536 3.042 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCCCCCC[NH2+]CCC(C)(C)C)C1 ZINC001179585090 1386523489 /nfs/dbraw/zinc/52/34/89/1386523489.db2.gz CGQSYTGFRGHCIP-QGZVFWFLSA-N 2 1 325.541 3.031 20 0 EGADMP CCCCCC[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001179585238 1386523566 /nfs/dbraw/zinc/52/35/66/1386523566.db2.gz DXQWAMZJNORTJR-SFHVURJKSA-N 2 1 325.541 3.175 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001179587298 1386523984 /nfs/dbraw/zinc/52/39/84/1386523984.db2.gz YCSXPGUDXFAYMO-FUHWJXTLSA-N 2 1 348.535 3.066 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001179590701 1386525865 /nfs/dbraw/zinc/52/58/65/1386525865.db2.gz KZFUFVDEVPHVQK-HKUYNNGSSA-N 2 1 337.552 3.031 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001179745755 1386569987 /nfs/dbraw/zinc/56/99/87/1386569987.db2.gz GPEIERQLPWOIIW-LJQANCHMSA-N 2 1 337.552 3.316 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001179988243 1386660064 /nfs/dbraw/zinc/66/00/64/1386660064.db2.gz DQUVEJCWACNMES-UHFFFAOYSA-N 2 1 347.547 3.411 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CCC ZINC001180035742 1386676150 /nfs/dbraw/zinc/67/61/50/1386676150.db2.gz QJHWZNJSLBXPTL-GOSISDBHSA-N 2 1 325.541 3.317 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCCCCC[NH2+]C(C)C)c1ccccc1 ZINC001180039715 1386677268 /nfs/dbraw/zinc/67/72/68/1386677268.db2.gz IIEUPBKRVMWDPW-LJQANCHMSA-N 2 1 333.520 3.354 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001320739848 1386705868 /nfs/dbraw/zinc/70/58/68/1386705868.db2.gz ODJMMWJQDRSJGU-SFHVURJKSA-N 2 1 345.531 3.196 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1cccc(C)c1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001320840970 1386734749 /nfs/dbraw/zinc/73/47/49/1386734749.db2.gz ONEYWBBXMOZMJH-GOSISDBHSA-N 2 1 347.547 3.472 20 0 EGADMP CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C)cc1 ZINC001180226831 1386739025 /nfs/dbraw/zinc/73/90/25/1386739025.db2.gz ONKGJHUQYOQAIA-PXNSSMCTSA-N 2 1 345.531 3.058 20 0 EGADMP CC(C)(C)[C@@]1(C[N@@H+]2CC[C@](F)(CO)C2)CC[NH+](Cc2ccccc2)C1 ZINC001181145326 1386946363 /nfs/dbraw/zinc/94/63/63/1386946363.db2.gz PLXHNERRIUWNFM-LEWJYISDSA-N 2 1 348.506 3.331 20 0 EGADMP CC(C)(C)[C@@]1(C[N@H+]2CC[C@](F)(CO)C2)CC[NH+](Cc2ccccc2)C1 ZINC001181145326 1386946367 /nfs/dbraw/zinc/94/63/67/1386946367.db2.gz PLXHNERRIUWNFM-LEWJYISDSA-N 2 1 348.506 3.331 20 0 EGADMP CC(C)(C)[C@@]1(C[NH+]2CC[C@](F)(CO)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001181145326 1386946368 /nfs/dbraw/zinc/94/63/68/1386946368.db2.gz PLXHNERRIUWNFM-LEWJYISDSA-N 2 1 348.506 3.331 20 0 EGADMP CC(C)(C)[C@@]1(C[NH+]2CC[C@](F)(CO)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001181145326 1386946372 /nfs/dbraw/zinc/94/63/72/1386946372.db2.gz PLXHNERRIUWNFM-LEWJYISDSA-N 2 1 348.506 3.331 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)C23CC(C2)CC[N@H+]3Cc2ccccc2)cc1 ZINC001181490157 1387004057 /nfs/dbraw/zinc/00/40/57/1387004057.db2.gz DFOFMGVFFUCTSW-UHFFFAOYSA-N 2 1 349.478 3.399 20 0 EGADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@@]1(C)C[NH2+]CC1CCCC1 ZINC001181792701 1387055456 /nfs/dbraw/zinc/05/54/56/1387055456.db2.gz IOHGXJHJHMTKRS-YFVAEKQCSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[N@@H+](C)CCC(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC001181863331 1387065683 /nfs/dbraw/zinc/06/56/83/1387065683.db2.gz ODDYSTPNHDWXCP-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP CCCCC[N@H+](C)CCC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC001181863331 1387065687 /nfs/dbraw/zinc/06/56/87/1387065687.db2.gz ODDYSTPNHDWXCP-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP CCCCC[N@@H+](C)CCC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC001181863331 1387065691 /nfs/dbraw/zinc/06/56/91/1387065691.db2.gz ODDYSTPNHDWXCP-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP CCCCC[NH+](C)CCC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC001181863331 1387065693 /nfs/dbraw/zinc/06/56/93/1387065693.db2.gz ODDYSTPNHDWXCP-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP CCCCC[NH+](C)CCC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001181863331 1387065698 /nfs/dbraw/zinc/06/56/98/1387065698.db2.gz ODDYSTPNHDWXCP-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP CCCCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H]([NH+](CC)CC)CC1 ZINC001181868777 1387067276 /nfs/dbraw/zinc/06/72/76/1387067276.db2.gz QBLUGHPXRALTTL-HDICACEKSA-N 2 1 325.541 3.268 20 0 EGADMP CCC(CC)C[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001181941500 1387079824 /nfs/dbraw/zinc/07/98/24/1387079824.db2.gz JVSPTFYRJWWJHT-OXQOHEQNSA-N 2 1 339.568 3.227 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)N(C)CC[NH+]1CCCC1)c1ccccc1 ZINC001182233884 1387128353 /nfs/dbraw/zinc/12/83/53/1387128353.db2.gz KHLPROJUXURPRX-FQEVSTJZSA-N 2 1 345.531 3.404 20 0 EGADMP C[C@H](C[N@H+](C)Cc1ccccc1F)NC(=O)CCC[NH+]1CCCCC1 ZINC001322299712 1387149738 /nfs/dbraw/zinc/14/97/38/1387149738.db2.gz WRGGMOIUFMQGEI-QGZVFWFLSA-N 2 1 349.494 3.028 20 0 EGADMP C[C@H](C[N@@H+](C)Cc1ccccc1F)NC(=O)CCC[NH+]1CCCCC1 ZINC001322299712 1387149741 /nfs/dbraw/zinc/14/97/41/1387149741.db2.gz WRGGMOIUFMQGEI-QGZVFWFLSA-N 2 1 349.494 3.028 20 0 EGADMP C[C@@H](C[N@H+](C)CC1CCCCC1)NC(=O)C[NH+](C)Cc1ccccc1 ZINC001322308293 1387153242 /nfs/dbraw/zinc/15/32/42/1387153242.db2.gz WHVIKMCGRAAIIE-SFHVURJKSA-N 2 1 345.531 3.135 20 0 EGADMP C[C@@H](C[N@@H+](C)CC1CCCCC1)NC(=O)C[NH+](C)Cc1ccccc1 ZINC001322308293 1387153245 /nfs/dbraw/zinc/15/32/45/1387153245.db2.gz WHVIKMCGRAAIIE-SFHVURJKSA-N 2 1 345.531 3.135 20 0 EGADMP C[C@@H](C[NH+](C)CC1CCCCC1)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001322308293 1387153248 /nfs/dbraw/zinc/15/32/48/1387153248.db2.gz WHVIKMCGRAAIIE-SFHVURJKSA-N 2 1 345.531 3.135 20 0 EGADMP C[C@@H](C[NH+](C)CC1CCCCC1)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001322308293 1387153251 /nfs/dbraw/zinc/15/32/51/1387153251.db2.gz WHVIKMCGRAAIIE-SFHVURJKSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@H](C)C[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001182623066 1387198527 /nfs/dbraw/zinc/19/85/27/1387198527.db2.gz AEIOBPOGOFEYJI-SQGPQFPESA-N 2 1 339.568 3.085 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001182693615 1387207804 /nfs/dbraw/zinc/20/78/04/1387207804.db2.gz ZPIYARRXUCFXDZ-BTFXCVNISA-N 2 1 346.519 3.334 20 0 EGADMP CCCC[NH2+]C[C@]1(C)CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001182807610 1387228026 /nfs/dbraw/zinc/22/80/26/1387228026.db2.gz VPBBODVJCDFWEM-YLJYHZDGSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC001336779185 1389167541 /nfs/dbraw/zinc/16/75/41/1389167541.db2.gz IGLUODSFMWTTHQ-MLGOLLRUSA-N 2 1 328.859 3.223 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2)CC1 ZINC001698718099 1406362328 /nfs/dbraw/zinc/36/23/28/1406362328.db2.gz QYHHVTSFJIVEIB-WGSAOQKQSA-N 2 1 349.494 3.075 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC1CC[NH+](CCCC2CCC2)CC1 ZINC001698725183 1406374437 /nfs/dbraw/zinc/37/44/37/1406374437.db2.gz VGLAMYBVJFPSQN-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC1CC[NH+](CC2=CCCCC2)CC1 ZINC001698724635 1406373749 /nfs/dbraw/zinc/37/37/49/1406373749.db2.gz NSNHICCZWOYIMQ-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001698730596 1406380410 /nfs/dbraw/zinc/38/04/10/1406380410.db2.gz PYDNVXWDDDNEMM-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N2CCC([N@@H+](C)C/C=C\Cl)CC2)cc1 ZINC001331059166 1389615257 /nfs/dbraw/zinc/61/52/57/1389615257.db2.gz JYLHZUMFFLHHJF-WCIBSUBMSA-N 2 1 349.906 3.037 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)CC2(O)CCCCC2)c1 ZINC001338459693 1389687815 /nfs/dbraw/zinc/68/78/15/1389687815.db2.gz FCEHKRUKKMODFH-HXUWFJFHSA-N 2 1 348.531 3.063 20 0 EGADMP Cc1ccc(C)c(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001698750532 1406401718 /nfs/dbraw/zinc/40/17/18/1406401718.db2.gz YTUUXAPXPZXHMO-PXNSSMCTSA-N 2 1 345.531 3.018 20 0 EGADMP C[C@@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001331916145 1389909269 /nfs/dbraw/zinc/90/92/69/1389909269.db2.gz DCWGCMKWDOCKMG-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CCC[N@H+]1CCC1CC1 ZINC001332221084 1390053264 /nfs/dbraw/zinc/05/32/64/1390053264.db2.gz WUGMKKGKFUDSJW-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc1 ZINC001332882321 1390208409 /nfs/dbraw/zinc/20/84/09/1390208409.db2.gz XALOHPDASMDRJM-VAIUHQNPSA-N 2 1 340.511 3.444 20 0 EGADMP CCC[NH2+]C1(CNC(=O)CC(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001333014605 1390236928 /nfs/dbraw/zinc/23/69/28/1390236928.db2.gz NHQOHTOTIOMPEL-UHFFFAOYSA-N 2 1 345.531 3.183 20 0 EGADMP C[C@@H]1C[C@H](C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC[NH2+]1 ZINC001341552251 1390500997 /nfs/dbraw/zinc/50/09/97/1390500997.db2.gz KORIAUQAQHDMIU-LZLYRXPVSA-N 2 1 329.488 3.245 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cn3ccc(-c4ccc(F)cc4)n3)C[C@@H]2C1 ZINC001334723473 1390574739 /nfs/dbraw/zinc/57/47/39/1390574739.db2.gz DYDJNFLTJHMZFU-JENIJYKNSA-N 2 1 342.462 3.309 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001335430095 1390683865 /nfs/dbraw/zinc/68/38/65/1390683865.db2.gz KTHUQTPSIBLHAP-BBRMVZONSA-N 2 1 330.394 3.060 20 0 EGADMP Cn1c2ccccc2n(C[N@H+]2C[C@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001352759882 1391843687 /nfs/dbraw/zinc/84/36/87/1391843687.db2.gz HJCLLSWIGAYHIK-BZUAXINKSA-N 2 1 344.528 3.329 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)c2cc3c(s2)CC[NH2+]C3)cc1Cl ZINC001353157724 1391947059 /nfs/dbraw/zinc/94/70/59/1391947059.db2.gz FBUXXIRHTRFEJC-UHFFFAOYSA-N 2 1 349.887 3.361 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001698862972 1406574282 /nfs/dbraw/zinc/57/42/82/1406574282.db2.gz XTSUACVWKMYKSX-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001480304294 1392668118 /nfs/dbraw/zinc/66/81/18/1392668118.db2.gz XEEDUJRHXUAQQL-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480733632 1392897709 /nfs/dbraw/zinc/89/77/09/1392897709.db2.gz QEQZMTZRTTYUGL-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480734094 1392899217 /nfs/dbraw/zinc/89/92/17/1392899217.db2.gz YPLYFGAEIQBDNN-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001698948288 1406688348 /nfs/dbraw/zinc/68/83/48/1406688348.db2.gz VDNJNFSMQHZUGN-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001491128231 1394443922 /nfs/dbraw/zinc/44/39/22/1394443922.db2.gz KOPMQBZBDVELRX-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001491128231 1394443923 /nfs/dbraw/zinc/44/39/23/1394443923.db2.gz KOPMQBZBDVELRX-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001491128231 1394443924 /nfs/dbraw/zinc/44/39/24/1394443924.db2.gz KOPMQBZBDVELRX-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001481779645 1394524278 /nfs/dbraw/zinc/52/42/78/1394524278.db2.gz VGTWNOCPFARNHL-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1)CC(C)(C)C ZINC001482020723 1394678036 /nfs/dbraw/zinc/67/80/36/1394678036.db2.gz KQGDMDQFJLRMLP-WGSAOQKQSA-N 2 1 345.531 3.182 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CC2CC2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001483907980 1395139353 /nfs/dbraw/zinc/13/93/53/1395139353.db2.gz DXROXMOYNVAJGM-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[NH+](CCCC2CCCC2)C1 ZINC001484151935 1395288931 /nfs/dbraw/zinc/28/89/31/1395288931.db2.gz HTBGLYVYNBOPGC-CTNGQTDRSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@H+](CCCC2CCCC2)C1 ZINC001484151935 1395288932 /nfs/dbraw/zinc/28/89/32/1395288932.db2.gz HTBGLYVYNBOPGC-CTNGQTDRSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CCCC2CCCC2)C1 ZINC001484151935 1395288935 /nfs/dbraw/zinc/28/89/35/1395288935.db2.gz HTBGLYVYNBOPGC-CTNGQTDRSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)(C(=O)NC[C@]1(C)CCC[N@@H+](CCC2CC2)C1)[NH+]1CCCCC1 ZINC001484158637 1395293402 /nfs/dbraw/zinc/29/34/02/1395293402.db2.gz GCUUDPDUIJHFMD-NRFANRHFSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001484757666 1395509411 /nfs/dbraw/zinc/50/94/11/1395509411.db2.gz QYCBRHICBVQMGZ-INIZCTEOSA-N 2 1 349.494 3.009 20 0 EGADMP CCC(CC)C[N@@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001485765571 1396141223 /nfs/dbraw/zinc/14/12/23/1396141223.db2.gz UQQSQZWJANWYRG-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CCc1ccccc1C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001699001686 1406811910 /nfs/dbraw/zinc/81/19/10/1406811910.db2.gz NWRCSDJOTIYSEL-HXUWFJFHSA-N 2 1 345.531 3.012 20 0 EGADMP CCc1ccccc1C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001699001686 1406811914 /nfs/dbraw/zinc/81/19/14/1406811914.db2.gz NWRCSDJOTIYSEL-HXUWFJFHSA-N 2 1 345.531 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001494857647 1396500445 /nfs/dbraw/zinc/50/04/45/1396500445.db2.gz UQGRXJBGDSRGKE-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001494857647 1396500448 /nfs/dbraw/zinc/50/04/48/1396500448.db2.gz UQGRXJBGDSRGKE-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001494857647 1396500452 /nfs/dbraw/zinc/50/04/52/1396500452.db2.gz UQGRXJBGDSRGKE-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP C[C@H](CC[NH2+][C@H](C)c1ccccc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001497268178 1396740577 /nfs/dbraw/zinc/74/05/77/1396740577.db2.gz LKZGGISLQTYGPK-IAGOWNOFSA-N 2 1 333.520 3.210 20 0 EGADMP C[C@@H](C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1)NC(=O)CCC[NH+](C)C ZINC001498370076 1396976956 /nfs/dbraw/zinc/97/69/56/1396976956.db2.gz UPFGJJBIHJOEEG-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001498370078 1396978447 /nfs/dbraw/zinc/97/84/47/1396978447.db2.gz UPFGJJBIHJOEEG-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001690255814 1404432799 /nfs/dbraw/zinc/43/27/99/1404432799.db2.gz YKEMRHGBDRVZDF-PXNSSMCTSA-N 2 1 345.531 3.403 20 0 EGADMP CC[C@H]([NH2+]C1CCC(NC(=O)CC[N@@H+](C)CC)CC1)c1ccccc1 ZINC001690542928 1404627462 /nfs/dbraw/zinc/62/74/62/1404627462.db2.gz IGRFQTQMNDMDBZ-MHJFOBGBSA-N 2 1 345.531 3.497 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001690784852 1404732480 /nfs/dbraw/zinc/73/24/80/1404732480.db2.gz NPRFERPHSZXVJN-IEJDHCNXSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001690814865 1404750011 /nfs/dbraw/zinc/75/00/11/1404750011.db2.gz MSLDTXAAKJZESP-ZWKOTPCHSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001690824391 1404760283 /nfs/dbraw/zinc/76/02/83/1404760283.db2.gz CJKUKVYDEYIVQP-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001690824391 1404760285 /nfs/dbraw/zinc/76/02/85/1404760285.db2.gz CJKUKVYDEYIVQP-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001690824391 1404760286 /nfs/dbraw/zinc/76/02/86/1404760286.db2.gz CJKUKVYDEYIVQP-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCCCC1 ZINC001691072498 1405004778 /nfs/dbraw/zinc/00/47/78/1405004778.db2.gz XUQVEWMRXZZFHK-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001691072498 1405004780 /nfs/dbraw/zinc/00/47/80/1405004780.db2.gz XUQVEWMRXZZFHK-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001691085107 1405019278 /nfs/dbraw/zinc/01/92/78/1405019278.db2.gz BGQIKYBLLOUJRR-KRWDZBQOSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001691100604 1405039123 /nfs/dbraw/zinc/03/91/23/1405039123.db2.gz YJFVIBYLVFIGGN-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC001691100604 1405039126 /nfs/dbraw/zinc/03/91/26/1405039126.db2.gz YJFVIBYLVFIGGN-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1cccc(CC)c1 ZINC001691183467 1405121023 /nfs/dbraw/zinc/12/10/23/1405121023.db2.gz CJXMDVSAKMVZMZ-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1cccc(CC)c1 ZINC001691183467 1405121026 /nfs/dbraw/zinc/12/10/26/1405121026.db2.gz CJXMDVSAKMVZMZ-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)Cc1ccccc1F ZINC001691198501 1405138486 /nfs/dbraw/zinc/13/84/86/1405138486.db2.gz WXDWHLCJQXOLSG-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001692150816 1405803776 /nfs/dbraw/zinc/80/37/76/1405803776.db2.gz AGCRGOGGBGLWLT-ZYSHUDEJSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001692150816 1405803785 /nfs/dbraw/zinc/80/37/85/1405803785.db2.gz AGCRGOGGBGLWLT-ZYSHUDEJSA-N 2 1 349.494 3.054 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001692150850 1405804243 /nfs/dbraw/zinc/80/42/43/1405804243.db2.gz FGADGBMGEUKWPH-YZGWKJHDSA-N 2 1 345.531 3.223 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](N(C)C(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001698562646 1406162570 /nfs/dbraw/zinc/16/25/70/1406162570.db2.gz KQWJHJVOPIJSBZ-YLJYHZDGSA-N 2 1 343.515 3.073 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CC[C@@H](N(C)C(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001698562646 1406162571 /nfs/dbraw/zinc/16/25/71/1406162571.db2.gz KQWJHJVOPIJSBZ-YLJYHZDGSA-N 2 1 343.515 3.073 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001698562646 1406162575 /nfs/dbraw/zinc/16/25/75/1406162575.db2.gz KQWJHJVOPIJSBZ-YLJYHZDGSA-N 2 1 343.515 3.073 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@@H](N(C)C(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001698562639 1406162834 /nfs/dbraw/zinc/16/28/34/1406162834.db2.gz KQWJHJVOPIJSBZ-FXAWDEMLSA-N 2 1 343.515 3.073 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CC[C@@H](N(C)C(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001698562639 1406162838 /nfs/dbraw/zinc/16/28/38/1406162838.db2.gz KQWJHJVOPIJSBZ-FXAWDEMLSA-N 2 1 343.515 3.073 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001698562639 1406162841 /nfs/dbraw/zinc/16/28/41/1406162841.db2.gz KQWJHJVOPIJSBZ-FXAWDEMLSA-N 2 1 343.515 3.073 20 0 EGADMP C[N@@H+](CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1)C1CCCCC1 ZINC001732029729 1428247695 /nfs/dbraw/zinc/24/76/95/1428247695.db2.gz KNEHIZHKWKBQDL-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)C1CCCCC1 ZINC001732029729 1428247699 /nfs/dbraw/zinc/24/76/99/1428247699.db2.gz KNEHIZHKWKBQDL-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)C1CCCCC1 ZINC001732029729 1428247700 /nfs/dbraw/zinc/24/77/00/1428247700.db2.gz KNEHIZHKWKBQDL-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2C)CCCC[C@H]1C ZINC001732264330 1428504054 /nfs/dbraw/zinc/50/40/54/1428504054.db2.gz ZPPMKSJXGDFGBG-OXQOHEQNSA-N 2 1 348.535 3.282 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001699487914 1412884560 /nfs/dbraw/zinc/88/45/60/1412884560.db2.gz WGZBUNQVMAKXEW-RTBURBONSA-N 2 1 346.519 3.036 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001700185353 1413604586 /nfs/dbraw/zinc/60/45/86/1413604586.db2.gz ZSYMRDVKPXTJBQ-RBUKOAKNSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2C)CC1 ZINC001700185353 1413604591 /nfs/dbraw/zinc/60/45/91/1413604591.db2.gz ZSYMRDVKPXTJBQ-RBUKOAKNSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2C)CC1 ZINC001700185353 1413604596 /nfs/dbraw/zinc/60/45/96/1413604596.db2.gz ZSYMRDVKPXTJBQ-RBUKOAKNSA-N 2 1 345.531 3.369 20 0 EGADMP C[NH+](C)CCCC(=O)NCc1ccc2c(c1)C[N@H+](CC1CCCC1)C2 ZINC001700252342 1413697976 /nfs/dbraw/zinc/69/79/76/1413697976.db2.gz HGSNKQUBYOONCD-UHFFFAOYSA-N 2 1 343.515 3.150 20 0 EGADMP Cc1ccc(C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)c(C)c1 ZINC001700473898 1414095981 /nfs/dbraw/zinc/09/59/81/1414095981.db2.gz JPWBIWCCFZQHNP-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c(C)c1 ZINC001700473898 1414095985 /nfs/dbraw/zinc/09/59/85/1414095985.db2.gz JPWBIWCCFZQHNP-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c(C)c1 ZINC001700473898 1414095990 /nfs/dbraw/zinc/09/59/90/1414095990.db2.gz JPWBIWCCFZQHNP-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001700488435 1414137861 /nfs/dbraw/zinc/13/78/61/1414137861.db2.gz YLLWGVITKMDQBI-OALUTQOASA-N 2 1 345.531 3.369 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001700544994 1414213272 /nfs/dbraw/zinc/21/32/72/1414213272.db2.gz DPJJZHGRNNCBJM-IRXDYDNUSA-N 2 1 339.568 3.083 20 0 EGADMP CCc1cccc(C[NH+]2CCC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]2C)c1 ZINC001700885934 1414544331 /nfs/dbraw/zinc/54/43/31/1414544331.db2.gz AIDZQEAMWIPTLD-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[N@H+]2CCC[C@H](NC(=O)CC[NH+](C)CC)[C@H]2C)c1 ZINC001700885934 1414544332 /nfs/dbraw/zinc/54/43/32/1414544332.db2.gz AIDZQEAMWIPTLD-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[N@@H+]2CCC[C@H](NC(=O)CC[NH+](C)CC)[C@H]2C)c1 ZINC001700885934 1414544333 /nfs/dbraw/zinc/54/43/33/1414544333.db2.gz AIDZQEAMWIPTLD-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713062605 1417619824 /nfs/dbraw/zinc/61/98/24/1417619824.db2.gz GCHYHKGAGCYCHZ-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001713062605 1417619826 /nfs/dbraw/zinc/61/98/26/1417619826.db2.gz GCHYHKGAGCYCHZ-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001713062605 1417619827 /nfs/dbraw/zinc/61/98/27/1417619827.db2.gz GCHYHKGAGCYCHZ-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[C@@H](C[N@@H+](C)CCC3CCCC3)C2)CC1 ZINC001713134706 1417713857 /nfs/dbraw/zinc/71/38/57/1417713857.db2.gz SLXHTCRPYOGYQD-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CCCC[NH+]1CCCC1CCC1)C1CCC1 ZINC001713252510 1417845385 /nfs/dbraw/zinc/84/53/85/1417845385.db2.gz ARPQVDNHSYSQHA-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCC[N@@H+]1CCCC1CCC1)C1CCC1 ZINC001713252510 1417845390 /nfs/dbraw/zinc/84/53/90/1417845390.db2.gz ARPQVDNHSYSQHA-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCC[N@H+]1CCCC1CCC1)C1CCC1 ZINC001713252510 1417845393 /nfs/dbraw/zinc/84/53/93/1417845393.db2.gz ARPQVDNHSYSQHA-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001713377571 1417987809 /nfs/dbraw/zinc/98/78/09/1417987809.db2.gz SKYYQVFBUPJDKT-MOPGFXCFSA-N 2 1 349.563 3.458 20 0 EGADMP CC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@H](C)c1cccc(C)c1 ZINC001713493861 1418196449 /nfs/dbraw/zinc/19/64/49/1418196449.db2.gz SYQKOWURLYLNFW-GOSISDBHSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](Cc1csc(C)c1)C1CC1 ZINC001713558013 1418352674 /nfs/dbraw/zinc/35/26/74/1418352674.db2.gz VJDGRRZLNQJISG-GOSISDBHSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](Cc1csc(C)c1)C1CC1 ZINC001713558013 1418352677 /nfs/dbraw/zinc/35/26/77/1418352677.db2.gz VJDGRRZLNQJISG-GOSISDBHSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](Cc1csc(C)c1)C1CC1 ZINC001713558013 1418352679 /nfs/dbraw/zinc/35/26/79/1418352679.db2.gz VJDGRRZLNQJISG-GOSISDBHSA-N 2 1 349.544 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001713856491 1418652998 /nfs/dbraw/zinc/65/29/98/1418652998.db2.gz ZGQIVXFGQCCKFP-FQEVSTJZSA-N 2 1 343.515 3.204 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001713897197 1418695765 /nfs/dbraw/zinc/69/57/65/1418695765.db2.gz HWUGMLKMPRPSDX-OALUTQOASA-N 2 1 345.531 3.260 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001713986949 1418765013 /nfs/dbraw/zinc/76/50/13/1418765013.db2.gz UCWADYNNUHNOGS-HXUWFJFHSA-N 2 1 349.563 3.413 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@H+]2CC2CCCCCC2)CCC1 ZINC001714107290 1418907145 /nfs/dbraw/zinc/90/71/45/1418907145.db2.gz GTYLSHVDOMHLCT-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2)CC1 ZINC001714313812 1419094686 /nfs/dbraw/zinc/09/46/86/1419094686.db2.gz TZTFBPUYKPHYPG-BHIYHBOVSA-N 2 1 331.504 3.106 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CCCC(C)(C)C)C2)CC1 ZINC001714362994 1419123952 /nfs/dbraw/zinc/12/39/52/1419123952.db2.gz LFPRIODRAILZRY-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC001714362994 1419123956 /nfs/dbraw/zinc/12/39/56/1419123956.db2.gz LFPRIODRAILZRY-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC001714362994 1419123957 /nfs/dbraw/zinc/12/39/57/1419123957.db2.gz LFPRIODRAILZRY-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H](C)c1cccc(F)c1 ZINC001714583432 1419323424 /nfs/dbraw/zinc/32/34/24/1419323424.db2.gz HPGXGYBBCBTHEY-APWZRJJASA-N 2 1 349.494 3.198 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@H](C)c1cccc(F)c1 ZINC001714583432 1419323425 /nfs/dbraw/zinc/32/34/25/1419323425.db2.gz HPGXGYBBCBTHEY-APWZRJJASA-N 2 1 349.494 3.198 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@H](C)c1cccc(F)c1 ZINC001714583432 1419323429 /nfs/dbraw/zinc/32/34/29/1419323429.db2.gz HPGXGYBBCBTHEY-APWZRJJASA-N 2 1 349.494 3.198 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H](CC)c1ccc(F)cc1 ZINC001714645395 1419419781 /nfs/dbraw/zinc/41/97/81/1419419781.db2.gz NMWIXRHXCIKKCW-OALUTQOASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](CC)c1ccc(F)cc1 ZINC001714645395 1419419783 /nfs/dbraw/zinc/41/97/83/1419419783.db2.gz NMWIXRHXCIKKCW-OALUTQOASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@@H](CC)c1ccc(F)cc1 ZINC001714645395 1419419784 /nfs/dbraw/zinc/41/97/84/1419419784.db2.gz NMWIXRHXCIKKCW-OALUTQOASA-N 2 1 349.494 3.199 20 0 EGADMP CCc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2)c1 ZINC001715001762 1419732421 /nfs/dbraw/zinc/73/24/21/1419732421.db2.gz OOMXUIXNTNTYTF-VQTJNVASSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001715021180 1419752403 /nfs/dbraw/zinc/75/24/03/1419752403.db2.gz ATUBBHMMAYKIBH-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001715021180 1419752405 /nfs/dbraw/zinc/75/24/05/1419752405.db2.gz ATUBBHMMAYKIBH-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001715021180 1419752408 /nfs/dbraw/zinc/75/24/08/1419752408.db2.gz ATUBBHMMAYKIBH-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C\c2ccccc2)CC1 ZINC001715191536 1419923487 /nfs/dbraw/zinc/92/34/87/1419923487.db2.gz SGXWBAWRPBOJLU-JXQKNWOYSA-N 2 1 343.515 3.059 20 0 EGADMP CCC[N@@H+](C)CCC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001715497435 1420179018 /nfs/dbraw/zinc/17/90/18/1420179018.db2.gz HHESUYKLOMVFMD-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1cccc(Cl)c1)C(=O)Cn1cc[nH+]c1C ZINC001716254234 1420584397 /nfs/dbraw/zinc/58/43/97/1420584397.db2.gz ZQAKZPJQDYBJAS-CQSZACIVSA-N 2 1 348.878 3.044 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccccc1C ZINC001716456782 1420671090 /nfs/dbraw/zinc/67/10/90/1420671090.db2.gz YYUAPSJNRMHQNJ-IRXDYDNUSA-N 2 1 342.487 3.136 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001716502226 1420729666 /nfs/dbraw/zinc/72/96/66/1420729666.db2.gz NUYYDTHBBMRGPW-ZWKOTPCHSA-N 2 1 345.531 3.305 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001733275378 1429438249 /nfs/dbraw/zinc/43/82/49/1429438249.db2.gz HNNYAAVHBKBWIJ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1cccc(C[NH2+]C2(CNC(=O)C[N@H+](C)CC(C)(C)C)CCC2)c1 ZINC001717157271 1421146974 /nfs/dbraw/zinc/14/69/74/1421146974.db2.gz JAJOMTUBXJNQOD-UHFFFAOYSA-N 2 1 345.531 3.101 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)CC1(C)C ZINC001717311719 1421255883 /nfs/dbraw/zinc/25/58/83/1421255883.db2.gz GJUPJXIEFSWUOO-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)CC1(C)C ZINC001717311719 1421255885 /nfs/dbraw/zinc/25/58/85/1421255885.db2.gz GJUPJXIEFSWUOO-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCCC(C)(C)C)CC1(C)C ZINC001717311719 1421255887 /nfs/dbraw/zinc/25/58/87/1421255887.db2.gz GJUPJXIEFSWUOO-KRWDZBQOSA-N 2 1 339.568 3.371 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001717459551 1421389047 /nfs/dbraw/zinc/38/90/47/1421389047.db2.gz GNAMGTPSORTBKA-ZWKOTPCHSA-N 2 1 345.531 3.082 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@H]1CCCc2ccccc21 ZINC001717494616 1421434764 /nfs/dbraw/zinc/43/47/64/1421434764.db2.gz KRYYDFXAPNZAMP-PXNSSMCTSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001717494616 1421434765 /nfs/dbraw/zinc/43/47/65/1421434765.db2.gz KRYYDFXAPNZAMP-PXNSSMCTSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001717494616 1421434766 /nfs/dbraw/zinc/43/47/66/1421434766.db2.gz KRYYDFXAPNZAMP-PXNSSMCTSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)[C@H]1C ZINC001717859990 1421672532 /nfs/dbraw/zinc/67/25/32/1421672532.db2.gz HGRYWVBISKFIPO-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)[C@H]1C ZINC001717859990 1421672533 /nfs/dbraw/zinc/67/25/33/1421672533.db2.gz HGRYWVBISKFIPO-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)[C@H]1C ZINC001717859990 1421672534 /nfs/dbraw/zinc/67/25/34/1421672534.db2.gz HGRYWVBISKFIPO-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001733351851 1429532863 /nfs/dbraw/zinc/53/28/63/1429532863.db2.gz IIWDVTZZTGEGJX-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CCC2CC2)CC1 ZINC001724293826 1424777461 /nfs/dbraw/zinc/77/74/61/1424777461.db2.gz FPBYNZXCOGKGBT-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH+](C)[C@@H](C)c1ccccc1 ZINC001724859293 1425239705 /nfs/dbraw/zinc/23/97/05/1425239705.db2.gz CIJKBWOLTIOXID-ICSRJNTNSA-N 2 1 345.531 3.402 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001724859293 1425239708 /nfs/dbraw/zinc/23/97/08/1425239708.db2.gz CIJKBWOLTIOXID-ICSRJNTNSA-N 2 1 345.531 3.402 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001724859293 1425239713 /nfs/dbraw/zinc/23/97/13/1425239713.db2.gz CIJKBWOLTIOXID-ICSRJNTNSA-N 2 1 345.531 3.402 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH+](CC3CCC3)C2)C1 ZINC001724859505 1425241581 /nfs/dbraw/zinc/24/15/81/1425241581.db2.gz AYCXTHHEJYNDCI-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](CC3CCC3)C2)C1 ZINC001724859505 1425241586 /nfs/dbraw/zinc/24/15/86/1425241586.db2.gz AYCXTHHEJYNDCI-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC001724859505 1425241589 /nfs/dbraw/zinc/24/15/89/1425241589.db2.gz AYCXTHHEJYNDCI-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001725028385 1425449156 /nfs/dbraw/zinc/44/91/56/1425449156.db2.gz ZHRXGGNYOBUNOS-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001725028385 1425449159 /nfs/dbraw/zinc/44/91/59/1425449159.db2.gz ZHRXGGNYOBUNOS-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001725028385 1425449162 /nfs/dbraw/zinc/44/91/62/1425449162.db2.gz ZHRXGGNYOBUNOS-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001725422876 1426075158 /nfs/dbraw/zinc/07/51/58/1426075158.db2.gz MQODIKUTCYHFAS-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)[C@H]1C ZINC001725691596 1426374785 /nfs/dbraw/zinc/37/47/85/1426374785.db2.gz XCVUYFRKUNKQSD-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001731783390 1427909081 /nfs/dbraw/zinc/90/90/81/1427909081.db2.gz DBRRMLPEQKYXQW-KRWDZBQOSA-N 2 1 347.547 3.435 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001731785139 1427915086 /nfs/dbraw/zinc/91/50/86/1427915086.db2.gz DBFYSCBEPYBVST-LJQANCHMSA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001731811948 1427995370 /nfs/dbraw/zinc/99/53/70/1427995370.db2.gz ZFJVHPOASPFLCD-QFBILLFUSA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](CC)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001731811948 1427995374 /nfs/dbraw/zinc/99/53/74/1427995374.db2.gz ZFJVHPOASPFLCD-QFBILLFUSA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](CC)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001731811948 1427995377 /nfs/dbraw/zinc/99/53/77/1427995377.db2.gz ZFJVHPOASPFLCD-QFBILLFUSA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001731812092 1427995982 /nfs/dbraw/zinc/99/59/82/1427995982.db2.gz BDGTUYFVEDERQU-FQEVSTJZSA-N 2 1 345.531 3.308 20 0 EGADMP C[C@@H](c1ccccc1Cl)[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001731873833 1428134182 /nfs/dbraw/zinc/13/41/82/1428134182.db2.gz FZOHBGSKVQLSRA-KSSFIOAISA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H](c1ccccc1Cl)[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001731873833 1428134186 /nfs/dbraw/zinc/13/41/86/1428134186.db2.gz FZOHBGSKVQLSRA-KSSFIOAISA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H](c1ccccc1Cl)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001731873833 1428134188 /nfs/dbraw/zinc/13/41/88/1428134188.db2.gz FZOHBGSKVQLSRA-KSSFIOAISA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H](c1ccccc1Cl)[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001731873833 1428134192 /nfs/dbraw/zinc/13/41/92/1428134192.db2.gz FZOHBGSKVQLSRA-KSSFIOAISA-N 2 1 349.906 3.076 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+](CCNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001731876309 1428139619 /nfs/dbraw/zinc/13/96/19/1428139619.db2.gz HZVMSPRJGPYBCE-QGZVFWFLSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001731876309 1428139622 /nfs/dbraw/zinc/13/96/22/1428139622.db2.gz HZVMSPRJGPYBCE-QGZVFWFLSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1C[N@H+](C)CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001733781672 1430047038 /nfs/dbraw/zinc/04/70/38/1430047038.db2.gz OXQDOANBVZUHTA-UHFFFAOYSA-N 2 1 345.531 3.151 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001733782850 1430049818 /nfs/dbraw/zinc/04/98/18/1430049818.db2.gz PYJVWEDHBBEIRT-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001733782850 1430049826 /nfs/dbraw/zinc/04/98/26/1430049826.db2.gz PYJVWEDHBBEIRT-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001733782850 1430049831 /nfs/dbraw/zinc/04/98/31/1430049831.db2.gz PYJVWEDHBBEIRT-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001733782851 1430050186 /nfs/dbraw/zinc/05/01/86/1430050186.db2.gz PYJVWEDHBBEIRT-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001733782851 1430050195 /nfs/dbraw/zinc/05/01/95/1430050195.db2.gz PYJVWEDHBBEIRT-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001733782851 1430050206 /nfs/dbraw/zinc/05/02/06/1430050206.db2.gz PYJVWEDHBBEIRT-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001734351875 1438069553 /nfs/dbraw/zinc/06/95/53/1438069553.db2.gz IBTHECMUAXQGMU-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CCC2CCCCCC2)C[C@H]1C ZINC001734430547 1438094646 /nfs/dbraw/zinc/09/46/46/1438094646.db2.gz WKFJXACQGPTCDD-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]1CCC[C@H](CC[N@@H+](C)CCCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001752008421 1440132176 /nfs/dbraw/zinc/13/21/76/1440132176.db2.gz GJVXZHQWYJOKOK-RBUKOAKNSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1c(C(=O)NCCC[N@H+](C)C[C@@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001752009087 1440132431 /nfs/dbraw/zinc/13/24/31/1440132431.db2.gz PFUPRIFIYJTPQR-INIZCTEOSA-N 2 1 344.503 3.377 20 0 EGADMP C[C@H](C(=O)NCCC[N@@H+](C)CC1CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001752072511 1440138145 /nfs/dbraw/zinc/13/81/45/1440138145.db2.gz CYQQMFPBPAOFOW-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CCCC(C)(C)C ZINC001752077396 1440138683 /nfs/dbraw/zinc/13/86/83/1440138683.db2.gz XELDKDBESOQKNG-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)CCCC(C)(C)C ZINC001752077396 1440138685 /nfs/dbraw/zinc/13/86/85/1440138685.db2.gz XELDKDBESOQKNG-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)CCCC(C)(C)C ZINC001752077396 1440138686 /nfs/dbraw/zinc/13/86/86/1440138686.db2.gz XELDKDBESOQKNG-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]([NH2+]CCC1CCCC1)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001752147612 1440146473 /nfs/dbraw/zinc/14/64/73/1440146473.db2.gz VPIAJHMUDKFTAI-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001752158336 1440147906 /nfs/dbraw/zinc/14/79/06/1440147906.db2.gz MWTOCZZHOAAATD-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001752428476 1440177752 /nfs/dbraw/zinc/17/77/52/1440177752.db2.gz ZPAIXHZSOKKENH-IAGOWNOFSA-N 2 1 346.519 3.167 20 0 EGADMP C[N@@H+](CCCC1CCCC1)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001752525360 1440192750 /nfs/dbraw/zinc/19/27/50/1440192750.db2.gz MCRSURJTWQWWGW-HXUWFJFHSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001752525737 1440192845 /nfs/dbraw/zinc/19/28/45/1440192845.db2.gz NVVGJJQRBOFIPU-LJQANCHMSA-N 2 1 345.531 3.332 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001752632742 1440197189 /nfs/dbraw/zinc/19/71/89/1440197189.db2.gz KDDBMOFYBFUMEG-BRWVUGGUSA-N 2 1 348.535 3.460 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001752707839 1440203111 /nfs/dbraw/zinc/20/31/11/1440203111.db2.gz QDYSPUYJDSZJRR-WOJBJXKFSA-N 2 1 349.563 3.366 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC[C@H]2C[N@@H+](CCC3CCCC3)CC[C@H]21 ZINC001752709154 1440203286 /nfs/dbraw/zinc/20/32/86/1440203286.db2.gz ZDECMHWDZDLTIZ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1cc(C)ccc1C ZINC001752824066 1440222435 /nfs/dbraw/zinc/22/24/35/1440222435.db2.gz OWRJZNQCFHPAOZ-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C)ccc1C ZINC001752824066 1440222436 /nfs/dbraw/zinc/22/24/36/1440222436.db2.gz OWRJZNQCFHPAOZ-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(C)ccc1C ZINC001752824066 1440222437 /nfs/dbraw/zinc/22/24/37/1440222437.db2.gz OWRJZNQCFHPAOZ-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001752824989 1440223162 /nfs/dbraw/zinc/22/31/62/1440223162.db2.gz JKJZLEWSTDJZTM-VQTJNVASSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001752824989 1440223163 /nfs/dbraw/zinc/22/31/63/1440223163.db2.gz JKJZLEWSTDJZTM-VQTJNVASSA-N 2 1 345.531 3.306 20 0 EGADMP C[N@@H+](CCC(=O)NC1CCC([NH2+]CCC2CC2)CC1)C1CCCCC1 ZINC001752851283 1440233672 /nfs/dbraw/zinc/23/36/72/1440233672.db2.gz HYJDGLARQYTAFM-UHFFFAOYSA-N 2 1 349.563 3.458 20 0 EGADMP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1C ZINC001752902393 1440243278 /nfs/dbraw/zinc/24/32/78/1440243278.db2.gz ALGNWUXVEKUAFJ-ICSRJNTNSA-N 2 1 345.531 3.161 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001752907678 1440244669 /nfs/dbraw/zinc/24/46/69/1440244669.db2.gz IRMFRUFBBHGEFY-IRXDYDNUSA-N 2 1 342.487 3.136 20 0 EGADMP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001752963796 1440253711 /nfs/dbraw/zinc/25/37/11/1440253711.db2.gz QFHYWPZZVXFHTK-UYAOXDASSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001752983421 1440257524 /nfs/dbraw/zinc/25/75/24/1440257524.db2.gz KFFGLBBJONAUSU-VQTJNVASSA-N 2 1 343.515 3.102 20 0 EGADMP CC(C)=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001752983421 1440257525 /nfs/dbraw/zinc/25/75/25/1440257525.db2.gz KFFGLBBJONAUSU-VQTJNVASSA-N 2 1 343.515 3.102 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001752983756 1440257619 /nfs/dbraw/zinc/25/76/19/1440257619.db2.gz OOZFPHJVXFKSFP-SJORKVTESA-N 2 1 334.508 3.035 20 0 EGADMP Cc1ccc(C)c(C[NH+](C)[C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001753000688 1440264277 /nfs/dbraw/zinc/26/42/77/1440264277.db2.gz UOULYWSAOVFTGA-FQEVSTJZSA-N 2 1 345.531 3.066 20 0 EGADMP Cc1ccc(C)c(C[N@@H+](C)[C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001753000688 1440264278 /nfs/dbraw/zinc/26/42/78/1440264278.db2.gz UOULYWSAOVFTGA-FQEVSTJZSA-N 2 1 345.531 3.066 20 0 EGADMP Cc1ccc(C)c(C[N@H+](C)[C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001753000688 1440264279 /nfs/dbraw/zinc/26/42/79/1440264279.db2.gz UOULYWSAOVFTGA-FQEVSTJZSA-N 2 1 345.531 3.066 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC001753020180 1440269680 /nfs/dbraw/zinc/26/96/80/1440269680.db2.gz FDXHLKLRPLWMGR-CABCVRRESA-N 2 1 339.911 3.226 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC[NH+]2CCC2CCCCCC2)C1 ZINC001753111325 1440308633 /nfs/dbraw/zinc/30/86/33/1440308633.db2.gz GKWOCSRTTUEYTC-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2CCC2CCCCCC2)C1 ZINC001753111325 1440308634 /nfs/dbraw/zinc/30/86/34/1440308634.db2.gz GKWOCSRTTUEYTC-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+]2CCC2CCCCCC2)C1 ZINC001753111325 1440308635 /nfs/dbraw/zinc/30/86/35/1440308635.db2.gz GKWOCSRTTUEYTC-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CCC[C@H](CC[N@@H+](CCNC(=O)C2CC[NH+](C)CC2)C2CC2)C1 ZINC001753159625 1440333038 /nfs/dbraw/zinc/33/30/38/1440333038.db2.gz VSDSGSMGLJHMKC-QZTJIDSGSA-N 2 1 349.563 3.125 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1 ZINC001753191115 1440337743 /nfs/dbraw/zinc/33/77/43/1440337743.db2.gz OSSRMSUBXHGIBD-IRXDYDNUSA-N 2 1 342.487 3.206 20 0 EGADMP CCC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001753281319 1440347534 /nfs/dbraw/zinc/34/75/34/1440347534.db2.gz XZYRAINSLWLFRG-KAGICYHLSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC1CCC1 ZINC001753287102 1440349230 /nfs/dbraw/zinc/34/92/30/1440349230.db2.gz OYGNOMVIFDYQAT-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CC1CCC1 ZINC001753287102 1440349231 /nfs/dbraw/zinc/34/92/31/1440349231.db2.gz OYGNOMVIFDYQAT-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CC1CCC1 ZINC001753287102 1440349232 /nfs/dbraw/zinc/34/92/32/1440349232.db2.gz OYGNOMVIFDYQAT-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001753294275 1440351531 /nfs/dbraw/zinc/35/15/31/1440351531.db2.gz JGZUOCQNIFIDQW-FXAWDEMLSA-N 2 1 345.531 3.307 20 0 EGADMP CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001753316362 1440359904 /nfs/dbraw/zinc/35/99/04/1440359904.db2.gz PUHDBBWTWDQLNK-AEFFLSMTSA-N 2 1 346.519 3.120 20 0 EGADMP CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001753316362 1440359905 /nfs/dbraw/zinc/35/99/05/1440359905.db2.gz PUHDBBWTWDQLNK-AEFFLSMTSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@H](N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001753319294 1440361789 /nfs/dbraw/zinc/36/17/89/1440361789.db2.gz CFBJNYFONSDZGW-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C(C)C)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001753320053 1440362643 /nfs/dbraw/zinc/36/26/43/1440362643.db2.gz SHXMCBMHGQSGCU-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C(C)C)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001753320053 1440362644 /nfs/dbraw/zinc/36/26/44/1440362644.db2.gz SHXMCBMHGQSGCU-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001753328774 1440367996 /nfs/dbraw/zinc/36/79/96/1440367996.db2.gz ZWQOZUHOADSJEF-HKUYNNGSSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001753328774 1440367997 /nfs/dbraw/zinc/36/79/97/1440367997.db2.gz ZWQOZUHOADSJEF-HKUYNNGSSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001753328774 1440367998 /nfs/dbraw/zinc/36/79/98/1440367998.db2.gz ZWQOZUHOADSJEF-HKUYNNGSSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@H](CC)c2ccccc2)C1 ZINC001753358162 1440381152 /nfs/dbraw/zinc/38/11/52/1440381152.db2.gz KKOCJQOKJVQETN-AZUAARDMSA-N 2 1 345.531 3.260 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@H](CC)c2ccccc2)C1 ZINC001753358162 1440381153 /nfs/dbraw/zinc/38/11/53/1440381153.db2.gz KKOCJQOKJVQETN-AZUAARDMSA-N 2 1 345.531 3.260 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](CC)c2ccccc2)C1 ZINC001753358162 1440381154 /nfs/dbraw/zinc/38/11/54/1440381154.db2.gz KKOCJQOKJVQETN-AZUAARDMSA-N 2 1 345.531 3.260 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1)[NH+](C)C ZINC001753368900 1440386683 /nfs/dbraw/zinc/38/66/83/1440386683.db2.gz ZFVIJZBTMILMJW-SNRMKQJTSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2)C1)[NH+](C)C ZINC001753368900 1440386684 /nfs/dbraw/zinc/38/66/84/1440386684.db2.gz ZFVIJZBTMILMJW-SNRMKQJTSA-N 2 1 349.494 3.054 20 0 EGADMP CC[C@H](C(=O)N[C@H]1CCC[N@H+]([C@@H](CC)c2ccc(F)cc2)C1)[NH+](C)C ZINC001753368907 1440386730 /nfs/dbraw/zinc/38/67/30/1440386730.db2.gz WOCKXFZPJOBODU-GBESFXJTSA-N 2 1 349.494 3.198 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001753368916 1440386759 /nfs/dbraw/zinc/38/67/59/1440386759.db2.gz GXAUFWBJNYIZTB-WSTZPKSXSA-N 2 1 345.531 3.223 20 0 EGADMP CCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001753439588 1440401315 /nfs/dbraw/zinc/40/13/15/1440401315.db2.gz OWWANCMBXDDYSP-RBUKOAKNSA-N 2 1 335.536 3.116 20 0 EGADMP CCCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001753439588 1440401316 /nfs/dbraw/zinc/40/13/16/1440401316.db2.gz OWWANCMBXDDYSP-RBUKOAKNSA-N 2 1 335.536 3.116 20 0 EGADMP CCCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001753439588 1440401317 /nfs/dbraw/zinc/40/13/17/1440401317.db2.gz OWWANCMBXDDYSP-RBUKOAKNSA-N 2 1 335.536 3.116 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001753445231 1440403461 /nfs/dbraw/zinc/40/34/61/1440403461.db2.gz IJIRHCYWFBSLAD-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001753445231 1440403462 /nfs/dbraw/zinc/40/34/62/1440403462.db2.gz IJIRHCYWFBSLAD-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CCCCCC[N@H+]1CC[C@H](N(CC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001753460226 1440410326 /nfs/dbraw/zinc/41/03/26/1440410326.db2.gz ZKNRQLJEUGAFBD-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1(C[NH2+]CC2CCC(C)CC2)CCCC1 ZINC001753510708 1440425797 /nfs/dbraw/zinc/42/57/97/1440425797.db2.gz RRKOWJYCKUNTBR-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CC1CCCCC1)C1CC1 ZINC001753518972 1440427982 /nfs/dbraw/zinc/42/79/82/1440427982.db2.gz UKMPOAWGMZLAGF-CTNGQTDRSA-N 2 1 349.563 3.314 20 0 EGADMP CCC[NH2+]CCC1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001753570485 1440438302 /nfs/dbraw/zinc/43/83/02/1440438302.db2.gz YGNIDAFXWQXEJG-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001753585196 1440441136 /nfs/dbraw/zinc/44/11/36/1440441136.db2.gz XFSGOJYPPNPCAO-CXLTZZKYSA-N 2 1 335.536 3.092 20 0 EGADMP CC(C)C[C@H](C[NH2+]Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001753739029 1440478615 /nfs/dbraw/zinc/47/86/15/1440478615.db2.gz VDCVNOYZAHLGIW-YSIASYRMSA-N 2 1 345.531 3.037 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CCCCC1 ZINC001753746909 1440481262 /nfs/dbraw/zinc/48/12/62/1440481262.db2.gz FSOYJWRDSBPFRQ-SFHVURJKSA-N 2 1 348.535 3.282 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCCC1 ZINC001753777775 1440486762 /nfs/dbraw/zinc/48/67/62/1440486762.db2.gz VMMKOJNZEVAHDN-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccc1 ZINC001753784659 1440487811 /nfs/dbraw/zinc/48/78/11/1440487811.db2.gz QFZOIKWMOPKUAL-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1cccc(C)c1 ZINC001753854193 1440508225 /nfs/dbraw/zinc/50/82/25/1440508225.db2.gz AJRUQJWPHKNJKY-AZUAARDMSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001753854193 1440508226 /nfs/dbraw/zinc/50/82/26/1440508226.db2.gz AJRUQJWPHKNJKY-AZUAARDMSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001753854193 1440508227 /nfs/dbraw/zinc/50/82/27/1440508227.db2.gz AJRUQJWPHKNJKY-AZUAARDMSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1cccc(CC)c1 ZINC001753854623 1440508386 /nfs/dbraw/zinc/50/83/86/1440508386.db2.gz QPCWWKHQGZZNFR-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)Cc1cccc(CC)c1 ZINC001753854623 1440508387 /nfs/dbraw/zinc/50/83/87/1440508387.db2.gz QPCWWKHQGZZNFR-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)Cc1cccc(CC)c1 ZINC001753854623 1440508388 /nfs/dbraw/zinc/50/83/88/1440508388.db2.gz QPCWWKHQGZZNFR-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CCCC2CCCC2)C1 ZINC001753874730 1440518571 /nfs/dbraw/zinc/51/85/71/1440518571.db2.gz BHTKCKDBDAPQOM-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCC2CCCC2)C1 ZINC001753874730 1440518572 /nfs/dbraw/zinc/51/85/72/1440518572.db2.gz BHTKCKDBDAPQOM-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCCC2CCCC2)C1 ZINC001753874730 1440518573 /nfs/dbraw/zinc/51/85/73/1440518573.db2.gz BHTKCKDBDAPQOM-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1ccccc1F)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001754044994 1440535018 /nfs/dbraw/zinc/53/50/18/1440535018.db2.gz AFPSNBRUCACPNA-VQIMIIECSA-N 2 1 349.494 3.198 20 0 EGADMP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1cccc(Cl)c1 ZINC001754122269 1440542848 /nfs/dbraw/zinc/54/28/48/1440542848.db2.gz ZBUKRMXKGRMJTR-YBHDSAFLSA-N 2 1 349.906 3.003 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001754314191 1440574583 /nfs/dbraw/zinc/57/45/83/1440574583.db2.gz MMISXTKZDHDIKV-ROUUACIJSA-N 2 1 343.515 3.121 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001754324036 1440579612 /nfs/dbraw/zinc/57/96/12/1440579612.db2.gz XRQIPKHTDOTVDM-KXBFYZLASA-N 2 1 349.494 3.055 20 0 EGADMP C[C@@H](C[N@@H+](C)Cc1cc2ccccc2s1)NC(=O)CCC[NH+](C)C ZINC001754324273 1440579811 /nfs/dbraw/zinc/57/98/11/1440579811.db2.gz RFSMZZFFPQFKDP-HNNXBMFYSA-N 2 1 347.528 3.180 20 0 EGADMP C[C@@H](C[N@@H+](C)[C@@H](C)c1ccc(F)cc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754329351 1440582728 /nfs/dbraw/zinc/58/27/28/1440582728.db2.gz ZWHNEUPRWQHGQL-IRXDYDNUSA-N 2 1 349.494 3.055 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC=C(C)C)c1ccccc1 ZINC001754330399 1440583379 /nfs/dbraw/zinc/58/33/79/1440583379.db2.gz KWTPOKJIHKTRCU-PKOBYXMFSA-N 2 1 331.504 3.082 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC=C(C)C)c1ccccc1 ZINC001754330399 1440583380 /nfs/dbraw/zinc/58/33/80/1440583380.db2.gz KWTPOKJIHKTRCU-PKOBYXMFSA-N 2 1 331.504 3.082 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC=C(C)C)c1ccccc1 ZINC001754330399 1440583381 /nfs/dbraw/zinc/58/33/81/1440583381.db2.gz KWTPOKJIHKTRCU-PKOBYXMFSA-N 2 1 331.504 3.082 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC1CCCCCC1 ZINC001754335997 1440586438 /nfs/dbraw/zinc/58/64/38/1440586438.db2.gz JLBHXCREYFOTBC-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CCCCCC1 ZINC001754335997 1440586439 /nfs/dbraw/zinc/58/64/39/1440586439.db2.gz JLBHXCREYFOTBC-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1CCCCCC1 ZINC001754335997 1440586440 /nfs/dbraw/zinc/58/64/40/1440586440.db2.gz JLBHXCREYFOTBC-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001754537897 1440625165 /nfs/dbraw/zinc/62/51/65/1440625165.db2.gz FYOFDGFCKKIGAC-YJJPMGAVSA-N 2 1 349.563 3.243 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001754537897 1440625166 /nfs/dbraw/zinc/62/51/66/1440625166.db2.gz FYOFDGFCKKIGAC-YJJPMGAVSA-N 2 1 349.563 3.243 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001754537897 1440625167 /nfs/dbraw/zinc/62/51/67/1440625167.db2.gz FYOFDGFCKKIGAC-YJJPMGAVSA-N 2 1 349.563 3.243 20 0 EGADMP CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001754539237 1440625621 /nfs/dbraw/zinc/62/56/21/1440625621.db2.gz BKIVBPQLZJMNBF-OLPBJYBYSA-N 2 1 349.563 3.409 20 0 EGADMP CCCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001754557626 1440632355 /nfs/dbraw/zinc/63/23/55/1440632355.db2.gz LENKGOPYBOSDKS-HXUWFJFHSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCCC[NH+]1CCC[C@@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001754557626 1440632356 /nfs/dbraw/zinc/63/23/56/1440632356.db2.gz LENKGOPYBOSDKS-HXUWFJFHSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCCC[NH+]1CCC[C@@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001754557626 1440632357 /nfs/dbraw/zinc/63/23/57/1440632357.db2.gz LENKGOPYBOSDKS-HXUWFJFHSA-N 2 1 337.552 3.223 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CCCC1)C1CCC1 ZINC001754650595 1440651713 /nfs/dbraw/zinc/65/17/13/1440651713.db2.gz QFBICDJFVCOQOB-IBGZPJMESA-N 2 1 349.563 3.172 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001754679400 1440661364 /nfs/dbraw/zinc/66/13/64/1440661364.db2.gz QTVGNRCWEDGORC-GGVAOPBYSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001754679400 1440661365 /nfs/dbraw/zinc/66/13/65/1440661365.db2.gz QTVGNRCWEDGORC-GGVAOPBYSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001754679400 1440661366 /nfs/dbraw/zinc/66/13/66/1440661366.db2.gz QTVGNRCWEDGORC-GGVAOPBYSA-N 2 1 335.536 3.045 20 0 EGADMP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001754696516 1440667239 /nfs/dbraw/zinc/66/72/39/1440667239.db2.gz YHGXSVQCGQDCGR-VQIMIIECSA-N 2 1 334.508 3.025 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001754727847 1440677312 /nfs/dbraw/zinc/67/73/12/1440677312.db2.gz OOFQMDAJZZOCEL-FZUCFXCGSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@](C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001754727847 1440677313 /nfs/dbraw/zinc/67/73/13/1440677313.db2.gz OOFQMDAJZZOCEL-FZUCFXCGSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@](C)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001754727847 1440677314 /nfs/dbraw/zinc/67/73/14/1440677314.db2.gz OOFQMDAJZZOCEL-FZUCFXCGSA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@@]2(C)CCC[N@@H+](CCC3CCCC3)C2)CCC1 ZINC001754727922 1440677516 /nfs/dbraw/zinc/67/75/16/1440677516.db2.gz PXMAXHVWSYIDLD-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC1CCCCC1)C2 ZINC001754783273 1440686945 /nfs/dbraw/zinc/68/69/45/1440686945.db2.gz NJJQVDMCTDIZEX-ZCNNSNEGSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCCC1)C2 ZINC001754783273 1440686946 /nfs/dbraw/zinc/68/69/46/1440686946.db2.gz NJJQVDMCTDIZEX-ZCNNSNEGSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCCC1)C2 ZINC001754783273 1440686947 /nfs/dbraw/zinc/68/69/47/1440686947.db2.gz NJJQVDMCTDIZEX-ZCNNSNEGSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C/CC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001754802999 1440690628 /nfs/dbraw/zinc/69/06/28/1440690628.db2.gz JBFOGXRIUWJDMP-IBQUMJASSA-N 2 1 346.519 3.189 20 0 EGADMP CCCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001754802395 1440690652 /nfs/dbraw/zinc/69/06/52/1440690652.db2.gz BDKBKWDOWMTNQI-IAGOWNOFSA-N 2 1 334.508 3.023 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001754919721 1440709205 /nfs/dbraw/zinc/70/92/05/1440709205.db2.gz VZISHMNREJWGKC-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001754951195 1440715013 /nfs/dbraw/zinc/71/50/13/1440715013.db2.gz LQKWQXPIHIBRCS-VQIMIIECSA-N 2 1 331.504 3.095 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCC[N@H+](CC=C(C)C)CC1 ZINC001755024325 1440728000 /nfs/dbraw/zinc/72/80/00/1440728000.db2.gz BLYFQVSCRKWYFZ-QZTJIDSGSA-N 2 1 346.519 3.334 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCC[N@@H+](CC=C(C)C)CC1 ZINC001755024325 1440728001 /nfs/dbraw/zinc/72/80/01/1440728001.db2.gz BLYFQVSCRKWYFZ-QZTJIDSGSA-N 2 1 346.519 3.334 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001755024561 1440728069 /nfs/dbraw/zinc/72/80/69/1440728069.db2.gz CRYPFVPQHZDYKP-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001755024561 1440728070 /nfs/dbraw/zinc/72/80/70/1440728070.db2.gz CRYPFVPQHZDYKP-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001755024561 1440728071 /nfs/dbraw/zinc/72/80/71/1440728071.db2.gz CRYPFVPQHZDYKP-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)CCC[N@@H+](C)CC[C@@H]1CCC[C@@H](C)C1 ZINC001755038929 1440735835 /nfs/dbraw/zinc/73/58/35/1440735835.db2.gz KMCQFVCQUJJMLS-MJGOQNOKSA-N 2 1 348.535 3.188 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)CCC[N@H+](C)CC[C@@H]1CCC[C@@H](C)C1 ZINC001755038929 1440735836 /nfs/dbraw/zinc/73/58/36/1440735836.db2.gz KMCQFVCQUJJMLS-MJGOQNOKSA-N 2 1 348.535 3.188 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001755045226 1440740375 /nfs/dbraw/zinc/74/03/75/1440740375.db2.gz NJMKCHJJGVQDMW-LJQANCHMSA-N 2 1 349.494 3.153 20 0 EGADMP CC(C)CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001755046000 1440741010 /nfs/dbraw/zinc/74/10/10/1440741010.db2.gz QEWROTQUOJLPDI-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001755046000 1440741011 /nfs/dbraw/zinc/74/10/11/1440741011.db2.gz QEWROTQUOJLPDI-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001755046000 1440741012 /nfs/dbraw/zinc/74/10/12/1440741012.db2.gz QEWROTQUOJLPDI-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001755130590 1440757026 /nfs/dbraw/zinc/75/70/26/1440757026.db2.gz LDDFXWVXBOXKSD-SFHVURJKSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@H](C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001755130972 1440757157 /nfs/dbraw/zinc/75/71/57/1440757157.db2.gz YGUIYYAVCMEBQT-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CC2CCCCC2)CC1(C)C)C1CCC1 ZINC001755137707 1440759096 /nfs/dbraw/zinc/75/90/96/1440759096.db2.gz CMPRBOPXDGPWMH-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CC[N@H+](CC2CCCCC2)CC1(C)C)C1CCC1 ZINC001755137707 1440759097 /nfs/dbraw/zinc/75/90/97/1440759097.db2.gz CMPRBOPXDGPWMH-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)CC1(C)C)C1CCC1 ZINC001755137707 1440759098 /nfs/dbraw/zinc/75/90/98/1440759098.db2.gz CMPRBOPXDGPWMH-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CC3CC3)CC2(C)C)CCCCC1 ZINC001755141546 1440760648 /nfs/dbraw/zinc/76/06/48/1440760648.db2.gz NEIWQPZBFQGZIO-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCC2CCC2)CC1(C)C ZINC001755144271 1440762635 /nfs/dbraw/zinc/76/26/35/1440762635.db2.gz YZCKKMRTRXDMKR-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)CC1(C)C ZINC001755144271 1440762636 /nfs/dbraw/zinc/76/26/36/1440762636.db2.gz YZCKKMRTRXDMKR-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)CC1(C)C ZINC001755144271 1440762637 /nfs/dbraw/zinc/76/26/37/1440762637.db2.gz YZCKKMRTRXDMKR-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C/CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001755193611 1440775705 /nfs/dbraw/zinc/77/57/05/1440775705.db2.gz CLBZONZAIXVUHT-UEKDZROGSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@@H](F)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001755208791 1440782615 /nfs/dbraw/zinc/78/26/15/1440782615.db2.gz AZPNFAULMLHEJR-APWZRJJASA-N 2 1 349.494 3.033 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001755209098 1440782657 /nfs/dbraw/zinc/78/26/57/1440782657.db2.gz IJPIVBCDHGXMJT-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001755208840 1440782832 /nfs/dbraw/zinc/78/28/32/1440782832.db2.gz BWXFRKBBOBBMFY-HXUWFJFHSA-N 2 1 345.531 3.331 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCC2=CCCCC2)C1 ZINC001755212215 1440783473 /nfs/dbraw/zinc/78/34/73/1440783473.db2.gz JUGLJTIKLLQZDU-SOAGJPPSSA-N 2 1 347.547 3.236 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)C1CCC([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001755275066 1440798745 /nfs/dbraw/zinc/79/87/45/1440798745.db2.gz QNPSBLORGALELD-IVMQYODDSA-N 2 1 348.535 3.233 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(F)cc1 ZINC001755319875 1440817996 /nfs/dbraw/zinc/81/79/96/1440817996.db2.gz LCPZYHBLACSUNF-QFBILLFUSA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(F)cc1 ZINC001755319875 1440817997 /nfs/dbraw/zinc/81/79/97/1440817997.db2.gz LCPZYHBLACSUNF-QFBILLFUSA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(F)cc1 ZINC001755319875 1440817998 /nfs/dbraw/zinc/81/79/98/1440817998.db2.gz LCPZYHBLACSUNF-QFBILLFUSA-N 2 1 349.494 3.025 20 0 EGADMP CC/C=C/CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001755366905 1440835141 /nfs/dbraw/zinc/83/51/41/1440835141.db2.gz AFTLXRAYOGKREW-NYQZOWANSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001755366905 1440835142 /nfs/dbraw/zinc/83/51/42/1440835142.db2.gz AFTLXRAYOGKREW-NYQZOWANSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001755366905 1440835143 /nfs/dbraw/zinc/83/51/43/1440835143.db2.gz AFTLXRAYOGKREW-NYQZOWANSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@H]1CCCCC[N@H+]1CCC1CC1)[NH+]1CCCC1 ZINC001755367718 1440835769 /nfs/dbraw/zinc/83/57/69/1440835769.db2.gz JCFKOMVXDNKGMB-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1C[N@@H+](CC2CCCC2)CC1(C)C)[NH+]1CCCC1 ZINC001755415939 1440848997 /nfs/dbraw/zinc/84/89/97/1440848997.db2.gz NWNONXJBXSNNQR-OALUTQOASA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCC2CCCC2)CC1(C)C ZINC001755416771 1440849290 /nfs/dbraw/zinc/84/92/90/1440849290.db2.gz WJRGUBFEROAVBB-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCC2CCCC2)CC1(C)C ZINC001755416771 1440849291 /nfs/dbraw/zinc/84/92/91/1440849291.db2.gz WJRGUBFEROAVBB-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCC2CCCC2)CC1(C)C ZINC001755416771 1440849292 /nfs/dbraw/zinc/84/92/92/1440849292.db2.gz WJRGUBFEROAVBB-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC001755452513 1440854111 /nfs/dbraw/zinc/85/41/11/1440854111.db2.gz JRTQMIWYELMUEW-FHWLQOOXSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001755472586 1440859090 /nfs/dbraw/zinc/85/90/90/1440859090.db2.gz AFIHVRVORXLWJM-KZNAEPCWSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCC(C)(C)C)C2)C1 ZINC001755476952 1440859500 /nfs/dbraw/zinc/85/95/00/1440859500.db2.gz COTLOELTCLOIQX-BZSNNMDCSA-N 2 1 337.552 3.029 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCC2)C1)CC(C)(C)C ZINC001755478859 1440859769 /nfs/dbraw/zinc/85/97/69/1440859769.db2.gz RURFNVXAMOHGGE-IYARVYRRSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001755531837 1440867776 /nfs/dbraw/zinc/86/77/76/1440867776.db2.gz CLRPGTQNZAADFL-PKOBYXMFSA-N 2 1 345.531 3.136 20 0 EGADMP CC(C)CCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001755534314 1440868668 /nfs/dbraw/zinc/86/86/68/1440868668.db2.gz JGDNGLABQBDYSM-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001755534314 1440868669 /nfs/dbraw/zinc/86/86/69/1440868669.db2.gz JGDNGLABQBDYSM-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001755534314 1440868670 /nfs/dbraw/zinc/86/86/70/1440868670.db2.gz JGDNGLABQBDYSM-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC1CCC2(CC2)CC1 ZINC001755548460 1440871232 /nfs/dbraw/zinc/87/12/32/1440871232.db2.gz CMXFKJISDFNDAJ-MOPGFXCFSA-N 2 1 349.563 3.172 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC001755661323 1440892750 /nfs/dbraw/zinc/89/27/50/1440892750.db2.gz KLVOUHAUNBJIMG-IAGOWNOFSA-N 2 1 334.508 3.166 20 0 EGADMP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001755724865 1440909146 /nfs/dbraw/zinc/90/91/46/1440909146.db2.gz YVOUPKHNUQORNT-DFOOCIKTSA-N 2 1 346.519 3.332 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001755724865 1440909147 /nfs/dbraw/zinc/90/91/47/1440909147.db2.gz YVOUPKHNUQORNT-DFOOCIKTSA-N 2 1 346.519 3.332 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+][C@H](C)c2ccccc2C)C(C)(C)C1 ZINC001755765103 1440915899 /nfs/dbraw/zinc/91/58/99/1440915899.db2.gz INZXNLUBLJQWCM-MJGOQNOKSA-N 2 1 345.531 3.224 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)C(C)(C)C ZINC001755827663 1440927702 /nfs/dbraw/zinc/92/77/02/1440927702.db2.gz QNQFZRAKOCIIDS-MSOLQXFVSA-N 2 1 337.552 3.027 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C(C)(C)C ZINC001755827664 1440927708 /nfs/dbraw/zinc/92/77/08/1440927708.db2.gz QNQFZRAKOCIIDS-QZTJIDSGSA-N 2 1 337.552 3.027 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C[NH2+]CCCC(C)(C)C)C(C)(C)C ZINC001755840340 1440931415 /nfs/dbraw/zinc/93/14/15/1440931415.db2.gz XFTFEEOPGFDGAD-INIZCTEOSA-N 2 1 327.557 3.273 20 0 EGADMP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001755858716 1440936195 /nfs/dbraw/zinc/93/61/95/1440936195.db2.gz ORGPEDSPGCAIKU-SBDAGSLNSA-N 2 1 335.536 3.042 20 0 EGADMP CN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CC([NH2+]CC2CCC2)C1 ZINC001755859377 1440936352 /nfs/dbraw/zinc/93/63/52/1440936352.db2.gz PQXMSGLBHPOJCV-UHFFFAOYSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCCC2CCC2)C1 ZINC001755862600 1440937013 /nfs/dbraw/zinc/93/70/13/1440937013.db2.gz QSALEZONNLAEIW-SOAGJPPSSA-N 2 1 349.563 3.409 20 0 EGADMP Cc1ccc2ccnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164682055 719621210 /nfs/dbraw/zinc/62/12/10/719621210.db2.gz LOARVHLSEVYVQX-UHFFFAOYSA-N 2 1 349.482 3.215 20 0 EGADMP Cc1ccc2ccnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164682055 719621220 /nfs/dbraw/zinc/62/12/20/719621220.db2.gz LOARVHLSEVYVQX-UHFFFAOYSA-N 2 1 349.482 3.215 20 0 EGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc3[nH]ccc3c[nH+]1)[C@@H]2C ZINC001164862535 720931779 /nfs/dbraw/zinc/93/17/79/720931779.db2.gz WFZCRXGVSPRNNC-CQSZACIVSA-N 2 1 338.459 3.181 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(OC)c2)CC1 ZINC000052209919 214122715 /nfs/dbraw/zinc/12/27/15/214122715.db2.gz HZDNJYIEQDDBDB-UHFFFAOYSA-N 2 1 347.503 3.078 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(OC)c2)CC1 ZINC000052209919 214122718 /nfs/dbraw/zinc/12/27/18/214122718.db2.gz HZDNJYIEQDDBDB-UHFFFAOYSA-N 2 1 347.503 3.078 20 0 EGADMP Cn1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(-c2cc3ccccc3o2)n1 ZINC000368404096 168352194 /nfs/dbraw/zinc/35/21/94/168352194.db2.gz UIUOPVVGERTIHR-UHFFFAOYSA-N 2 1 336.439 3.185 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368532421 168368562 /nfs/dbraw/zinc/36/85/62/168368562.db2.gz YQMRQKGGKAWUAM-NQIIRXRSSA-N 2 1 345.531 3.135 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000178095694 232080849 /nfs/dbraw/zinc/08/08/49/232080849.db2.gz OHBXBCOINPXNPR-UONOGXRCSA-N 2 1 328.460 3.135 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000246896062 283064747 /nfs/dbraw/zinc/06/47/47/283064747.db2.gz JVJMGJFZOORKTL-QUCCMNQESA-N 2 1 345.531 3.260 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC000183732170 235210513 /nfs/dbraw/zinc/21/05/13/235210513.db2.gz LOVRPYKKLNFMOC-OAHLLOKOSA-N 2 1 329.492 3.399 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)CC2(C[NH3+])CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000184242030 291070501 /nfs/dbraw/zinc/07/05/01/291070501.db2.gz FEJVLALRGLGQCE-PKOBYXMFSA-N 2 1 343.515 3.065 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000072859337 216317922 /nfs/dbraw/zinc/31/79/22/216317922.db2.gz UFZFBXWFMWAMDI-IBGZPJMESA-N 2 1 326.488 3.263 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000072859337 216317924 /nfs/dbraw/zinc/31/79/24/216317924.db2.gz UFZFBXWFMWAMDI-IBGZPJMESA-N 2 1 326.488 3.263 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000072859337 216317926 /nfs/dbraw/zinc/31/79/26/216317926.db2.gz UFZFBXWFMWAMDI-IBGZPJMESA-N 2 1 326.488 3.263 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000132130589 223303663 /nfs/dbraw/zinc/30/36/63/223303663.db2.gz JKSLGELLQGWMMT-UHFFFAOYSA-N 2 1 335.511 3.010 20 0 EGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193155347 240042173 /nfs/dbraw/zinc/04/21/73/240042173.db2.gz OMMYUGHCQOYLFZ-JKSUJKDBSA-N 2 1 328.909 3.259 20 0 EGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCc2occc21 ZINC000193277396 240087703 /nfs/dbraw/zinc/08/77/03/240087703.db2.gz CQQONOPKKLVPIX-QUCCMNQESA-N 2 1 340.467 3.404 20 0 EGADMP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CCSCC1 ZINC000187334705 296118902 /nfs/dbraw/zinc/11/89/02/296118902.db2.gz MTPDCGWXENQQEQ-MRXNPFEDSA-N 2 1 326.550 3.143 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC(F)F ZINC000092043373 218110014 /nfs/dbraw/zinc/11/00/14/218110014.db2.gz GXPXJOXKNUFHKT-CABCVRRESA-N 2 1 340.414 3.213 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC(F)F ZINC000092043373 218110015 /nfs/dbraw/zinc/11/00/15/218110015.db2.gz GXPXJOXKNUFHKT-CABCVRRESA-N 2 1 340.414 3.213 20 0 EGADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC(F)F ZINC000092043373 218110016 /nfs/dbraw/zinc/11/00/16/218110016.db2.gz GXPXJOXKNUFHKT-CABCVRRESA-N 2 1 340.414 3.213 20 0 EGADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1OC(F)F ZINC000092043373 218110018 /nfs/dbraw/zinc/11/00/18/218110018.db2.gz GXPXJOXKNUFHKT-CABCVRRESA-N 2 1 340.414 3.213 20 0 EGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccnc1 ZINC000092738672 218163398 /nfs/dbraw/zinc/16/33/98/218163398.db2.gz ARWUUMYRBTYUEO-WIYYLYMNSA-N 2 1 338.499 3.111 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)c1ccccc1 ZINC000092821451 218171698 /nfs/dbraw/zinc/17/16/98/218171698.db2.gz MULLFIVPFCNTRI-OAQYLSRUSA-N 2 1 339.483 3.354 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCCC2=O)cc1 ZINC000268771480 252222404 /nfs/dbraw/zinc/22/24/04/252222404.db2.gz LWZBULOFYROHIX-KFKAGJAMSA-N 2 1 327.472 3.091 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N2CCCC2=O)cc1 ZINC000268771480 252222406 /nfs/dbraw/zinc/22/24/06/252222406.db2.gz LWZBULOFYROHIX-KFKAGJAMSA-N 2 1 327.472 3.091 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCCC2=O)cc1 ZINC000268771482 252222009 /nfs/dbraw/zinc/22/20/09/252222009.db2.gz LWZBULOFYROHIX-ZYSHUDEJSA-N 2 1 327.472 3.091 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N2CCCC2=O)cc1 ZINC000268771482 252222013 /nfs/dbraw/zinc/22/20/13/252222013.db2.gz LWZBULOFYROHIX-ZYSHUDEJSA-N 2 1 327.472 3.091 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CC[NH+](C)C2CC2)cc1)C(C)C ZINC000186763304 285096950 /nfs/dbraw/zinc/09/69/50/285096950.db2.gz MBLAAVNYRIZBKK-UHFFFAOYSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CC2)cc1)C(C)C ZINC000186763304 285096956 /nfs/dbraw/zinc/09/69/56/285096956.db2.gz MBLAAVNYRIZBKK-UHFFFAOYSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC2)cc1)C(C)C ZINC000186763304 285096960 /nfs/dbraw/zinc/09/69/60/285096960.db2.gz MBLAAVNYRIZBKK-UHFFFAOYSA-N 2 1 331.504 3.083 20 0 EGADMP C[C@H](CCSc1ccccc1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000153504064 224114225 /nfs/dbraw/zinc/11/42/25/224114225.db2.gz NCLOXDAVLGIZIQ-QGZVFWFLSA-N 2 1 336.545 3.336 20 0 EGADMP C[C@H](CCSc1ccccc1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000153504064 224114229 /nfs/dbraw/zinc/11/42/29/224114229.db2.gz NCLOXDAVLGIZIQ-QGZVFWFLSA-N 2 1 336.545 3.336 20 0 EGADMP CC[N@H+]1CC[C@@H](NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)[C@H](C)C1 ZINC000154841110 285376575 /nfs/dbraw/zinc/37/65/75/285376575.db2.gz FGLJMFGZZARGPQ-UIFIKXQLSA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](c2cccc(OC)c2)N2CCCC2)[C@H](C)C1 ZINC000154841110 285376576 /nfs/dbraw/zinc/37/65/76/285376576.db2.gz FGLJMFGZZARGPQ-UIFIKXQLSA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](c2cccc(OC)c2)N2CCCC2)[C@H](C)C1 ZINC000154841110 285376577 /nfs/dbraw/zinc/37/65/77/285376577.db2.gz FGLJMFGZZARGPQ-UIFIKXQLSA-N 2 1 345.531 3.152 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC[N@@H+]1C ZINC000179524943 533657961 /nfs/dbraw/zinc/65/79/61/533657961.db2.gz JUQVRNOFAVIEOS-HZSPNIEDSA-N 2 1 325.859 3.130 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC[N@H+]1C ZINC000179524943 533657971 /nfs/dbraw/zinc/65/79/71/533657971.db2.gz JUQVRNOFAVIEOS-HZSPNIEDSA-N 2 1 325.859 3.130 20 0 EGADMP CC1(C)C[C@H](N[C@H]2CC[NH+]3CCCC[C@H]23)C[N@H+]1Cc1ccccc1 ZINC000677803937 549334057 /nfs/dbraw/zinc/33/40/57/549334057.db2.gz CBJJYZJESZWFME-SLFFLAALSA-N 2 1 327.516 3.256 20 0 EGADMP CC1(C)C[C@H](N[C@H]2CC[N@@H+]3CCCC[C@H]23)C[NH+]1Cc1ccccc1 ZINC000677803937 549334061 /nfs/dbraw/zinc/33/40/61/549334061.db2.gz CBJJYZJESZWFME-SLFFLAALSA-N 2 1 327.516 3.256 20 0 EGADMP CC1(C)C[C@H](N[C@H]2CC[N@H+]3CCCC[C@H]23)C[NH+]1Cc1ccccc1 ZINC000677803937 549334064 /nfs/dbraw/zinc/33/40/64/549334064.db2.gz CBJJYZJESZWFME-SLFFLAALSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@]2(C)CCCC[NH2+]2)cc1 ZINC000237524703 141006637 /nfs/dbraw/zinc/00/66/37/141006637.db2.gz HQIAJQJHHCOOCK-LAUBAEHRSA-N 2 1 343.515 3.209 20 0 EGADMP C[C@H]1CN(Cc2ccccc2CNCc2cscn2)C[C@H](C)O1 ZINC000237624280 141010475 /nfs/dbraw/zinc/01/04/75/141010475.db2.gz ARPKKKALYAQEFT-GJZGRUSLSA-N 2 1 331.485 3.042 20 0 EGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(F)cccc3N3CCCC3)CC[C@H]21 ZINC000246817866 141036446 /nfs/dbraw/zinc/03/64/46/141036446.db2.gz RGGJCMSTIUDYLW-QFBILLFUSA-N 2 1 331.479 3.342 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(F)cccc3N3CCCC3)CC[C@H]21 ZINC000246817866 141036448 /nfs/dbraw/zinc/03/64/48/141036448.db2.gz RGGJCMSTIUDYLW-QFBILLFUSA-N 2 1 331.479 3.342 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(F)cccc3N3CCCC3)CC[C@H]21 ZINC000246817866 141036450 /nfs/dbraw/zinc/03/64/50/141036450.db2.gz RGGJCMSTIUDYLW-QFBILLFUSA-N 2 1 331.479 3.342 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(F)cccc3N3CCCC3)CC[C@H]21 ZINC000246817866 141036453 /nfs/dbraw/zinc/03/64/53/141036453.db2.gz RGGJCMSTIUDYLW-QFBILLFUSA-N 2 1 331.479 3.342 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC)c(OC(F)F)c2)[C@@H](C)C1 ZINC000246949654 141045948 /nfs/dbraw/zinc/04/59/48/141045948.db2.gz IHHZIVGMRXUTIC-ZFWWWQNUSA-N 2 1 342.430 3.159 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000338012462 141072710 /nfs/dbraw/zinc/07/27/10/141072710.db2.gz RDHDKKQZFMKXAH-ZDUSSCGKSA-N 2 1 326.444 3.162 20 0 EGADMP Cc1cnc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1C ZINC000342790352 141148058 /nfs/dbraw/zinc/14/80/58/141148058.db2.gz ZICDTQOABREDAM-UHFFFAOYSA-N 2 1 326.488 3.073 20 0 EGADMP Cc1cnc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1C ZINC000342790352 141148059 /nfs/dbraw/zinc/14/80/59/141148059.db2.gz ZICDTQOABREDAM-UHFFFAOYSA-N 2 1 326.488 3.073 20 0 EGADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc2cccnc12 ZINC000346222582 141184292 /nfs/dbraw/zinc/18/42/92/141184292.db2.gz PELTVBDYYRQTGA-VAMGGRTRSA-N 2 1 339.483 3.227 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC(F)(F)C(F)(F)F)C[C@@H]1C ZINC000346447442 141196386 /nfs/dbraw/zinc/19/63/86/141196386.db2.gz RBWJBJCJWABNFI-NWDGAFQWSA-N 2 1 332.357 3.005 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC(F)(F)C(F)(F)F)C[C@@H]1C ZINC000346447442 141196387 /nfs/dbraw/zinc/19/63/87/141196387.db2.gz RBWJBJCJWABNFI-NWDGAFQWSA-N 2 1 332.357 3.005 20 0 EGADMP Cc1nc2ccccn2c1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934423 141220726 /nfs/dbraw/zinc/22/07/26/141220726.db2.gz OEPKXXZKDSFHND-RDJZCZTQSA-N 2 1 326.488 3.385 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000352944000 141274172 /nfs/dbraw/zinc/27/41/72/141274172.db2.gz DLPTYDCMGOGRJB-RTBURBONSA-N 2 1 341.543 3.166 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000352969024 141280342 /nfs/dbraw/zinc/28/03/42/141280342.db2.gz PQONSVRXVLWKGO-FUHWJXTLSA-N 2 1 332.488 3.361 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000352969024 141280345 /nfs/dbraw/zinc/28/03/45/141280345.db2.gz PQONSVRXVLWKGO-FUHWJXTLSA-N 2 1 332.488 3.361 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000357945187 141363327 /nfs/dbraw/zinc/36/33/27/141363327.db2.gz NQTLTTPQVKTKDX-INIZCTEOSA-N 2 1 335.467 3.126 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000357945187 141363329 /nfs/dbraw/zinc/36/33/29/141363329.db2.gz NQTLTTPQVKTKDX-INIZCTEOSA-N 2 1 335.467 3.126 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000357945187 141363331 /nfs/dbraw/zinc/36/33/31/141363331.db2.gz NQTLTTPQVKTKDX-INIZCTEOSA-N 2 1 335.467 3.126 20 0 EGADMP Cc1noc(CCC[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000357956934 141367843 /nfs/dbraw/zinc/36/78/43/141367843.db2.gz HUBOAEMORARWQS-INIZCTEOSA-N 2 1 334.508 3.287 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000178702077 144075132 /nfs/dbraw/zinc/07/51/32/144075132.db2.gz PZPDZFVTRLNAND-HOTGVXAUSA-N 2 1 340.471 3.305 20 0 EGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351479518 144267110 /nfs/dbraw/zinc/26/71/10/144267110.db2.gz RJTXFENSJLTFBZ-WCUVEOEZSA-N 2 1 332.835 3.120 20 0 EGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351479518 144267111 /nfs/dbraw/zinc/26/71/11/144267111.db2.gz RJTXFENSJLTFBZ-WCUVEOEZSA-N 2 1 332.835 3.120 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)C[C@H]12 ZINC000351486811 144268086 /nfs/dbraw/zinc/26/80/86/144268086.db2.gz BFXYNNZJLISJJD-OKZBNKHCSA-N 2 1 332.451 3.170 20 0 EGADMP Cc1[nH]c2ccccc2c1C1=CC[N@@H+](C[C@@H](O)CN(C)C2CC2)CC1 ZINC000351715254 144295316 /nfs/dbraw/zinc/29/53/16/144295316.db2.gz IERCKCNJOJFMLO-SFHVURJKSA-N 2 1 339.483 3.021 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000351861477 144317083 /nfs/dbraw/zinc/31/70/83/144317083.db2.gz LPUVFGQYQKKCDC-YPMHNXCESA-N 2 1 334.261 3.166 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000351861477 144317085 /nfs/dbraw/zinc/31/70/85/144317085.db2.gz LPUVFGQYQKKCDC-YPMHNXCESA-N 2 1 334.261 3.166 20 0 EGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)C1CCOCC1)c1ccccc1 ZINC000118949283 152160374 /nfs/dbraw/zinc/16/03/74/152160374.db2.gz BPQXDDVJLGEXQW-XLIONFOSSA-N 2 1 334.504 3.101 20 0 EGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)C1CCOCC1)c1ccccc1 ZINC000118949283 152160375 /nfs/dbraw/zinc/16/03/75/152160375.db2.gz BPQXDDVJLGEXQW-XLIONFOSSA-N 2 1 334.504 3.101 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCCCNc1cc[nH+]cc1Br ZINC000341559215 155353616 /nfs/dbraw/zinc/35/36/16/155353616.db2.gz FBHABQHOMJSUSA-ZDUSSCGKSA-N 2 1 326.282 3.333 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNc1cc[nH+]cc1Br ZINC000341559215 155353620 /nfs/dbraw/zinc/35/36/20/155353620.db2.gz FBHABQHOMJSUSA-ZDUSSCGKSA-N 2 1 326.282 3.333 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000341598409 155377382 /nfs/dbraw/zinc/37/73/82/155377382.db2.gz FYTDAWVHPMNANA-ZWKOTPCHSA-N 2 1 349.544 3.002 20 0 EGADMP Cc1ccc(-c2nc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)co2)cc1 ZINC000192801873 153260386 /nfs/dbraw/zinc/26/03/86/153260386.db2.gz NUNKKIHFSKZCMG-YQQQUEKLSA-N 2 1 325.456 3.407 20 0 EGADMP CC(C)(C)[NH+]1CCC(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192918648 153265341 /nfs/dbraw/zinc/26/53/41/153265341.db2.gz ZGPWLWWXTXONBS-LJQANCHMSA-N 2 1 329.532 3.361 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000192918648 153265345 /nfs/dbraw/zinc/26/53/45/153265345.db2.gz ZGPWLWWXTXONBS-LJQANCHMSA-N 3 1 329.532 3.361 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192918648 153265351 /nfs/dbraw/zinc/26/53/51/153265351.db2.gz ZGPWLWWXTXONBS-LJQANCHMSA-N 3 1 329.532 3.361 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000195134759 153382633 /nfs/dbraw/zinc/38/26/33/153382633.db2.gz KDENHHGLPDEEFY-DOIPELPJSA-N 2 1 340.511 3.446 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000310802512 154144344 /nfs/dbraw/zinc/14/43/44/154144344.db2.gz ATPAOKHOZRBMRM-HXUWFJFHSA-N 2 1 339.483 3.482 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000310802512 154144348 /nfs/dbraw/zinc/14/43/48/154144348.db2.gz ATPAOKHOZRBMRM-HXUWFJFHSA-N 2 1 339.483 3.482 20 0 EGADMP C[C@H]([NH2+]Cc1cnn2ccccc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311045030 154144355 /nfs/dbraw/zinc/14/43/55/154144355.db2.gz FREQQVUJYCCYEJ-HKUYNNGSSA-N 2 1 334.467 3.335 20 0 EGADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccoc2C(=O)OC)cc1 ZINC000336877351 154228274 /nfs/dbraw/zinc/22/82/74/154228274.db2.gz YZNCDNLNIQNZIN-UHFFFAOYSA-N 2 1 330.428 3.198 20 0 EGADMP Cc1ccccc1[C@H]1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000337336337 154290241 /nfs/dbraw/zinc/29/02/41/154290241.db2.gz MXQMPIYDXQBTMV-FQEVSTJZSA-N 2 1 329.532 3.200 20 0 EGADMP Cc1cccc(CN2CCN(c3cc[nH+]cc3Br)CC2)c1 ZINC000339972901 155056558 /nfs/dbraw/zinc/05/65/58/155056558.db2.gz QQWBVCAGHNYUDR-UHFFFAOYSA-N 2 1 346.272 3.475 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346820733 156150906 /nfs/dbraw/zinc/15/09/06/156150906.db2.gz IGXMLMOBTZJNEC-TYPHKJRUSA-N 2 1 338.499 3.026 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OCC(C)C ZINC000346859402 156167097 /nfs/dbraw/zinc/16/70/97/156167097.db2.gz YKZRFEPANFTNBQ-BZSNNMDCSA-N 2 1 332.488 3.289 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000347007557 156241874 /nfs/dbraw/zinc/24/18/74/156241874.db2.gz QTZBQDBFWWRFPP-AAEUAGOBSA-N 2 1 334.357 3.326 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000347007557 156241878 /nfs/dbraw/zinc/24/18/78/156241878.db2.gz QTZBQDBFWWRFPP-AAEUAGOBSA-N 2 1 334.357 3.326 20 0 EGADMP CCCOc1c(Cl)cc(C[N@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000347015638 156248578 /nfs/dbraw/zinc/24/85/78/156248578.db2.gz YKWPDFCLIKBXDW-UHFFFAOYSA-N 2 1 326.868 3.321 20 0 EGADMP CCCOc1c(Cl)cc(C[N@@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000347015638 156248583 /nfs/dbraw/zinc/24/85/83/156248583.db2.gz YKWPDFCLIKBXDW-UHFFFAOYSA-N 2 1 326.868 3.321 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000349153913 156369873 /nfs/dbraw/zinc/36/98/73/156369873.db2.gz TVSWCNJWQUOYRG-IBGZPJMESA-N 2 1 349.482 3.271 20 0 EGADMP c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093791817 162028507 /nfs/dbraw/zinc/02/85/07/162028507.db2.gz PUPAMLMNBISAGB-FPOVZHCZSA-N 2 1 344.499 3.162 20 0 EGADMP c1cc(OC[C@@H]2CCCO2)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093791817 162028511 /nfs/dbraw/zinc/02/85/11/162028511.db2.gz PUPAMLMNBISAGB-FPOVZHCZSA-N 2 1 344.499 3.162 20 0 EGADMP CC[C@@H](C)N(CC[C@@H]1CCC[N@H+]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000125218034 162267209 /nfs/dbraw/zinc/26/72/09/162267209.db2.gz MTMQWZAUHQFOKV-CVEARBPZSA-N 2 1 342.487 3.008 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125475256 162273720 /nfs/dbraw/zinc/27/37/20/162273720.db2.gz QDRQKNVYKAIGNZ-MDZRGWNJSA-N 3 1 335.561 3.278 20 0 EGADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125475256 162273726 /nfs/dbraw/zinc/27/37/26/162273726.db2.gz QDRQKNVYKAIGNZ-MDZRGWNJSA-N 2 1 335.561 3.278 20 0 EGADMP Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)s1 ZINC000248452006 163006898 /nfs/dbraw/zinc/00/68/98/163006898.db2.gz PQAPJHJRUVXHKT-FZKQIMNGSA-N 2 1 345.512 3.177 20 0 EGADMP C[N@H+](CCCc1nc(-c2ccccc2)no1)CCC[NH+]1CCCC1 ZINC000337272661 163189896 /nfs/dbraw/zinc/18/98/96/163189896.db2.gz ONIGLWFXEVZZIL-UHFFFAOYSA-N 2 1 328.460 3.087 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)C1CC[NH+](C2CC2)CC1 ZINC000338817217 163355908 /nfs/dbraw/zinc/35/59/08/163355908.db2.gz UJFSDMFCLAUFHZ-FQEVSTJZSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[C@@H](C)[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000338946751 163399811 /nfs/dbraw/zinc/39/98/11/163399811.db2.gz ZZGJSDHBIVINMD-LJQANCHMSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[C@@H](C)[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000338946751 163399814 /nfs/dbraw/zinc/39/98/14/163399814.db2.gz ZZGJSDHBIVINMD-LJQANCHMSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[C@@H](C)[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000338946751 163399816 /nfs/dbraw/zinc/39/98/16/163399816.db2.gz ZZGJSDHBIVINMD-LJQANCHMSA-N 2 1 345.531 3.150 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CC1 ZINC000342196600 163811990 /nfs/dbraw/zinc/81/19/90/163811990.db2.gz CYPLAJRBBHMXTL-UHFFFAOYSA-N 2 1 343.515 3.382 20 0 EGADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1cc2c(cc1Cl)OCCO2 ZINC000343798090 164037093 /nfs/dbraw/zinc/03/70/93/164037093.db2.gz OWMGNBWZVXCPQS-OAHLLOKOSA-N 2 1 338.879 3.417 20 0 EGADMP CC(C)C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccccn1 ZINC000343941434 164070676 /nfs/dbraw/zinc/07/06/76/164070676.db2.gz TZCHORDWPSTJAJ-IBGZPJMESA-N 2 1 342.487 3.294 20 0 EGADMP C[C@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C(C)(C)C1 ZINC000350161036 165014741 /nfs/dbraw/zinc/01/47/41/165014741.db2.gz XPFJPBSXZHPWSC-QGZVFWFLSA-N 2 1 343.515 3.019 20 0 EGADMP CC[C@@H]1C[C@@H](C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000350263732 165024345 /nfs/dbraw/zinc/02/43/45/165024345.db2.gz JUUUMNSIOORRJE-AZUAARDMSA-N 2 1 331.504 3.435 20 0 EGADMP COCC[N@@H+](C)CCCC1CCN(Cc2ncc(Cl)s2)CC1 ZINC000352010339 165190217 /nfs/dbraw/zinc/19/02/17/165190217.db2.gz BYWXQPFUGSQRJG-UHFFFAOYSA-N 2 1 345.940 3.367 20 0 EGADMP CCCOc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000355207587 166133990 /nfs/dbraw/zinc/13/39/90/166133990.db2.gz OKOKQJULTVPOFP-MISYRCLQSA-N 2 1 332.488 3.159 20 0 EGADMP CCCOc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000355207587 166133992 /nfs/dbraw/zinc/13/39/92/166133992.db2.gz OKOKQJULTVPOFP-MISYRCLQSA-N 2 1 332.488 3.159 20 0 EGADMP CC(C)[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C(C)C ZINC000355366147 166175600 /nfs/dbraw/zinc/17/56/00/166175600.db2.gz GUCPDEFLHVDROT-HXUWFJFHSA-N 2 1 345.531 3.276 20 0 EGADMP CC[N@@H+](CCNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C(C)C ZINC000355395079 166184135 /nfs/dbraw/zinc/18/41/35/166184135.db2.gz DMDJKQGCJZFENQ-KRWDZBQOSA-N 2 1 348.535 3.145 20 0 EGADMP Cc1[nH+]ccc(N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000355676677 166280941 /nfs/dbraw/zinc/28/09/41/166280941.db2.gz BLRWVILGBSSBLI-LJQANCHMSA-N 2 1 345.874 3.117 20 0 EGADMP CC[C@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000355791183 166310595 /nfs/dbraw/zinc/31/05/95/166310595.db2.gz IBXBBEZBIMGUFN-UYAOXDASSA-N 2 1 345.531 3.278 20 0 EGADMP OC[C@H](CC1CCC1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000359054600 167052815 /nfs/dbraw/zinc/05/28/15/167052815.db2.gz KYENQVJFAVWYRX-UWHLTILDSA-N 2 1 328.500 3.038 20 0 EGADMP c1c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000359280876 167113956 /nfs/dbraw/zinc/11/39/56/167113956.db2.gz QNQSKTDJWABGLI-KDURUIRLSA-N 2 1 344.462 3.191 20 0 EGADMP c1c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000359280876 167113958 /nfs/dbraw/zinc/11/39/58/167113958.db2.gz QNQSKTDJWABGLI-KDURUIRLSA-N 2 1 344.462 3.191 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000359470998 167165242 /nfs/dbraw/zinc/16/52/42/167165242.db2.gz KXDAWVGKSBVFOC-LNLFQRSKSA-N 2 1 348.535 3.097 20 0 EGADMP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000359743837 167219939 /nfs/dbraw/zinc/21/99/39/167219939.db2.gz OKJPPOMUJRUUAW-YOEHRIQHSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000359743837 167219942 /nfs/dbraw/zinc/21/99/42/167219942.db2.gz OKJPPOMUJRUUAW-YOEHRIQHSA-N 2 1 339.911 3.179 20 0 EGADMP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)cn2)c1 ZINC000360444348 167330310 /nfs/dbraw/zinc/33/03/10/167330310.db2.gz NYMSKNLXAWPDPE-HNAYVOBHSA-N 2 1 341.455 3.312 20 0 EGADMP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)cn2)c1 ZINC000360444348 167330314 /nfs/dbraw/zinc/33/03/14/167330314.db2.gz NYMSKNLXAWPDPE-HNAYVOBHSA-N 2 1 341.455 3.312 20 0 EGADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@H](c3nccn3C)C2)s1 ZINC000365817751 168047049 /nfs/dbraw/zinc/04/70/49/168047049.db2.gz CLLUKBURWYAOCL-AWEZNQCLSA-N 2 1 333.505 3.102 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000366951544 168160660 /nfs/dbraw/zinc/16/06/60/168160660.db2.gz JNZPJKHKHDZGCK-UYAOXDASSA-N 2 1 326.488 3.164 20 0 EGADMP C[C@H](O)c1ncc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000368014680 168296544 /nfs/dbraw/zinc/29/65/44/168296544.db2.gz AXRYVYNRCUJFCX-DOTOQJQBSA-N 2 1 345.512 3.198 20 0 EGADMP C[C@H](O)c1ncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000368014680 168296546 /nfs/dbraw/zinc/29/65/46/168296546.db2.gz AXRYVYNRCUJFCX-DOTOQJQBSA-N 2 1 345.512 3.198 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CCCO1 ZINC000368039857 168302635 /nfs/dbraw/zinc/30/26/35/168302635.db2.gz SGAVCTIKDNMBPR-ASFAAARLSA-N 2 1 338.442 3.301 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CCCO1 ZINC000368039857 168302638 /nfs/dbraw/zinc/30/26/38/168302638.db2.gz SGAVCTIKDNMBPR-ASFAAARLSA-N 2 1 338.442 3.301 20 0 EGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000120510806 221599095 /nfs/dbraw/zinc/59/90/95/221599095.db2.gz IPPHRCPTLLYIDI-KSZLIROESA-N 2 1 343.515 3.029 20 0 EGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000177308903 265245825 /nfs/dbraw/zinc/24/58/25/265245825.db2.gz HNKAHPVNIWZQOE-SJORKVTESA-N 2 1 342.439 3.278 20 0 EGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000177308903 265245828 /nfs/dbraw/zinc/24/58/28/265245828.db2.gz HNKAHPVNIWZQOE-SJORKVTESA-N 2 1 342.439 3.278 20 0 EGADMP COc1cccc([C@H](C)[NH+]2CCN(CC[NH+]3CCC(C)CC3)CC2)c1 ZINC000178014239 265291871 /nfs/dbraw/zinc/29/18/71/265291871.db2.gz NUNVIVHRPKEMBT-IBGZPJMESA-N 2 1 345.531 3.106 20 0 EGADMP COCC[N@H+](C)CCCC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000179817035 265389502 /nfs/dbraw/zinc/38/95/02/265389502.db2.gz QVOHVESAUPHTRU-UHFFFAOYSA-N 2 1 325.884 3.310 20 0 EGADMP COCC[N@@H+](C)CCCC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000179817035 265389505 /nfs/dbraw/zinc/38/95/05/265389505.db2.gz QVOHVESAUPHTRU-UHFFFAOYSA-N 2 1 325.884 3.310 20 0 EGADMP C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274759390 267282495 /nfs/dbraw/zinc/28/24/95/267282495.db2.gz JOVKTCKBUBWXBR-SXLOBPIMSA-N 2 1 344.499 3.172 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000274804371 267290142 /nfs/dbraw/zinc/29/01/42/267290142.db2.gz PFRWMPYNHHLHKG-KRWDZBQOSA-N 2 1 343.515 3.340 20 0 EGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275507149 267372554 /nfs/dbraw/zinc/37/25/54/267372554.db2.gz JZJDWBPSSUWNOF-IAGOWNOFSA-N 2 1 343.471 3.074 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1Br ZINC000276524326 267566695 /nfs/dbraw/zinc/56/66/95/267566695.db2.gz CNUKLLJODMXECY-LLVKDONJSA-N 2 1 338.249 3.085 20 0 EGADMP Cc1nc(F)ccc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000278487589 268024329 /nfs/dbraw/zinc/02/43/29/268024329.db2.gz STPLJRMLPCOILU-IYBDPMFKSA-N 2 1 349.494 3.240 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]CCCc1c(F)cccc1Cl ZINC000278525750 268032617 /nfs/dbraw/zinc/03/26/17/268032617.db2.gz TWOABFBKYSAXLM-HNNXBMFYSA-N 2 1 342.886 3.238 20 0 EGADMP C[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343917240 274357879 /nfs/dbraw/zinc/35/78/79/274357879.db2.gz CUVSHJDVGYXPCN-DUXKGJEZSA-N 2 1 327.516 3.022 20 0 EGADMP c1cnn(CCCCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278869538 275282875 /nfs/dbraw/zinc/28/28/75/275282875.db2.gz LZHMKJVVHGYALK-UHFFFAOYSA-N 2 1 341.503 3.466 20 0 EGADMP Cc1ccc([C@@H](O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278926995 275288388 /nfs/dbraw/zinc/28/83/88/275288388.db2.gz SGCARSCOLNTCQK-FQEVSTJZSA-N 2 1 339.483 3.441 20 0 EGADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279050937 275299411 /nfs/dbraw/zinc/29/94/11/275299411.db2.gz YBTMJUYGUDADMH-NVXWUHKLSA-N 2 1 335.455 3.290 20 0 EGADMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cn1 ZINC000279083185 275302342 /nfs/dbraw/zinc/30/23/42/275302342.db2.gz MUNRLQDWTCSJCQ-HNAYVOBHSA-N 2 1 344.503 3.173 20 0 EGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000279789803 275359616 /nfs/dbraw/zinc/35/96/16/275359616.db2.gz UXAXFFRRCWUGNT-DMUMMCEESA-N 2 1 334.504 3.242 20 0 EGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000280046708 275396760 /nfs/dbraw/zinc/39/67/60/275396760.db2.gz XGFWAEJHNQKOGZ-BZUAXINKSA-N 2 1 343.471 3.245 20 0 EGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000280824299 275498957 /nfs/dbraw/zinc/49/89/57/275498957.db2.gz KIMIOBLIQXTGAT-CQSZACIVSA-N 2 1 344.421 3.073 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000289148636 276297007 /nfs/dbraw/zinc/29/70/07/276297007.db2.gz GDTGYRHKEPTZMJ-JXFKEZNVSA-N 2 1 341.499 3.372 20 0 EGADMP Cc1oc2ccccc2c1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000289448647 276340483 /nfs/dbraw/zinc/34/04/83/276340483.db2.gz MVZQBDCCOZIXAE-UHFFFAOYSA-N 2 1 329.488 3.199 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1)C(C)C ZINC000269226708 276353974 /nfs/dbraw/zinc/35/39/74/276353974.db2.gz UYLACEFOOVZOMK-QFBILLFUSA-N 2 1 331.504 3.035 20 0 EGADMP CN(Cc1c(F)cccc1N1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289774544 276391932 /nfs/dbraw/zinc/39/19/32/276391932.db2.gz RJRZVVHPTWOVLY-SJPCQFCGSA-N 2 1 331.479 3.483 20 0 EGADMP Fc1ccc([C@H](C[C@H]2CCCO2)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000290045968 276439052 /nfs/dbraw/zinc/43/90/52/276439052.db2.gz BTUKZECAIRWILB-LZQZEXGQSA-N 2 1 343.446 3.485 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000360842160 277051635 /nfs/dbraw/zinc/05/16/35/277051635.db2.gz VOWNUAAPUMNSKJ-FQEVSTJZSA-N 2 1 329.532 3.416 20 0 EGADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC000338280208 277089401 /nfs/dbraw/zinc/08/94/01/277089401.db2.gz LGGGUDBWXRTSMO-NRFANRHFSA-N 2 1 343.515 3.062 20 0 EGADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)c1cccc(O)c1 ZINC000191532279 279182376 /nfs/dbraw/zinc/18/23/76/279182376.db2.gz VLGFHYOYJCCWAA-SFHVURJKSA-N 2 1 333.520 3.191 20 0 EGADMP C[C@H](CCNC(=O)C[C@H](C)C1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000237442000 279265599 /nfs/dbraw/zinc/26/55/99/279265599.db2.gz UHSWOKBPYSUVAI-ZWKOTPCHSA-N 2 1 345.531 3.039 20 0 EGADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(C)ccc1OC ZINC000093405503 280187019 /nfs/dbraw/zinc/18/70/19/280187019.db2.gz IOEGYSWWBMMZNC-LJQANCHMSA-N 2 1 333.520 3.072 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H]1CCC2(CCCCC2)O1 ZINC000342629617 289322880 /nfs/dbraw/zinc/32/28/80/289322880.db2.gz HWGPFMDMFQCQCT-NCXUSEDFSA-N 2 1 336.520 3.052 20 0 EGADMP [NH3+]CCC[N@H+](Cc1ccc(Cl)cc1-n1cncn1)CC1CCCC1 ZINC000352544832 295229481 /nfs/dbraw/zinc/22/94/81/295229481.db2.gz DBLYZZDUGQPQJQ-UHFFFAOYSA-N 2 1 347.894 3.262 20 0 EGADMP COc1cccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)[NH+](C)C)c1 ZINC000262155841 295326103 /nfs/dbraw/zinc/32/61/03/295326103.db2.gz GJOSBPZCBWQYKS-MHTWAQMVSA-N 2 1 345.531 3.198 20 0 EGADMP C[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249871927 298162544 /nfs/dbraw/zinc/16/25/44/298162544.db2.gz KFIJRLWCMAAYKH-XMTFNYHQSA-N 2 1 347.503 3.184 20 0 EGADMP C[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249871927 298162548 /nfs/dbraw/zinc/16/25/48/298162548.db2.gz KFIJRLWCMAAYKH-XMTFNYHQSA-N 2 1 347.503 3.184 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000414176108 309064961 /nfs/dbraw/zinc/06/49/61/309064961.db2.gz HZJFPYKDSNLTKL-DZGCQCFKSA-N 2 1 325.522 3.023 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccnc2)[C@H](C)C1 ZINC000414329816 309073323 /nfs/dbraw/zinc/07/33/23/309073323.db2.gz IQQUMUIXUPYRPV-MJGOQNOKSA-N 2 1 333.520 3.086 20 0 EGADMP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000414342588 309074137 /nfs/dbraw/zinc/07/41/37/309074137.db2.gz QCDHHSQAMFEOTK-NXNFSMPISA-N 2 1 328.500 3.038 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248405289 308002007 /nfs/dbraw/zinc/00/20/07/308002007.db2.gz RDHMZISFDGEVKW-YUMYIRISSA-N 3 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248405289 308002009 /nfs/dbraw/zinc/00/20/09/308002009.db2.gz RDHMZISFDGEVKW-YUMYIRISSA-N 3 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248405289 308002011 /nfs/dbraw/zinc/00/20/11/308002011.db2.gz RDHMZISFDGEVKW-YUMYIRISSA-N 3 1 341.543 3.219 20 0 EGADMP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248405289 308002013 /nfs/dbraw/zinc/00/20/13/308002013.db2.gz RDHMZISFDGEVKW-YUMYIRISSA-N 2 1 341.543 3.219 20 0 EGADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248405289 308002014 /nfs/dbraw/zinc/00/20/14/308002014.db2.gz RDHMZISFDGEVKW-YUMYIRISSA-N 2 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248405289 308002016 /nfs/dbraw/zinc/00/20/16/308002016.db2.gz RDHMZISFDGEVKW-YUMYIRISSA-N 2 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248405289 308002018 /nfs/dbraw/zinc/00/20/18/308002018.db2.gz RDHMZISFDGEVKW-YUMYIRISSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248564198 308005872 /nfs/dbraw/zinc/00/58/72/308005872.db2.gz KIHHRYGCOMLWJQ-VBEQINLCSA-N 2 1 349.563 3.170 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248564198 308005873 /nfs/dbraw/zinc/00/58/73/308005873.db2.gz KIHHRYGCOMLWJQ-VBEQINLCSA-N 2 1 349.563 3.170 20 0 EGADMP CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248600065 308006693 /nfs/dbraw/zinc/00/66/93/308006693.db2.gz UVYCSXSHNMBMRG-KSZLIROESA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248600065 308006694 /nfs/dbraw/zinc/00/66/94/308006694.db2.gz UVYCSXSHNMBMRG-KSZLIROESA-N 2 1 337.552 3.122 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248597238 308006753 /nfs/dbraw/zinc/00/67/53/308006753.db2.gz TXNZCTGLEMFMQJ-NMDDUFOESA-N 2 1 349.563 3.312 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248597238 308006754 /nfs/dbraw/zinc/00/67/54/308006754.db2.gz TXNZCTGLEMFMQJ-NMDDUFOESA-N 2 1 349.563 3.312 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(Cl)c(F)c3)CC[C@H]21 ZINC000248846810 308013015 /nfs/dbraw/zinc/01/30/15/308013015.db2.gz NHUPSOLBPKJTOE-CXAGYDPISA-N 2 1 326.843 3.274 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccc(Cl)c(F)c3)CC[C@H]21 ZINC000248846810 308013017 /nfs/dbraw/zinc/01/30/17/308013017.db2.gz NHUPSOLBPKJTOE-CXAGYDPISA-N 2 1 326.843 3.274 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccc(Cl)c(F)c3)CC[C@H]21 ZINC000248846810 308013019 /nfs/dbraw/zinc/01/30/19/308013019.db2.gz NHUPSOLBPKJTOE-CXAGYDPISA-N 2 1 326.843 3.274 20 0 EGADMP C[N@H+](CCN1CC[NH+](C/C=C\c2ccccc2)CC1)Cc1ccccc1 ZINC000255049847 308038581 /nfs/dbraw/zinc/03/85/81/308038581.db2.gz YJEPWWQKQBEADY-JYRVWZFOSA-N 2 1 349.522 3.449 20 0 EGADMP C[N@@H+](CCN1CC[NH+](C/C=C\c2ccccc2)CC1)Cc1ccccc1 ZINC000255049847 308038582 /nfs/dbraw/zinc/03/85/82/308038582.db2.gz YJEPWWQKQBEADY-JYRVWZFOSA-N 2 1 349.522 3.449 20 0 EGADMP CCOCc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1OC ZINC000293748081 308158441 /nfs/dbraw/zinc/15/84/41/308158441.db2.gz WOCDLRXCZMMJGJ-FQEVSTJZSA-N 2 1 332.488 3.149 20 0 EGADMP CCOCc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1OC ZINC000293748081 308158442 /nfs/dbraw/zinc/15/84/42/308158442.db2.gz WOCDLRXCZMMJGJ-FQEVSTJZSA-N 2 1 332.488 3.149 20 0 EGADMP CCOCc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1OC ZINC000293748081 308158443 /nfs/dbraw/zinc/15/84/43/308158443.db2.gz WOCDLRXCZMMJGJ-FQEVSTJZSA-N 2 1 332.488 3.149 20 0 EGADMP CCOCc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1OC ZINC000293748081 308158444 /nfs/dbraw/zinc/15/84/44/308158444.db2.gz WOCDLRXCZMMJGJ-FQEVSTJZSA-N 2 1 332.488 3.149 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)cc1)C(C)C ZINC000294004736 308182004 /nfs/dbraw/zinc/18/20/04/308182004.db2.gz PDVMBWATMAWHIC-CALCHBBNSA-N 2 1 331.504 3.082 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1)C(C)C ZINC000294004736 308182005 /nfs/dbraw/zinc/18/20/05/308182005.db2.gz PDVMBWATMAWHIC-CALCHBBNSA-N 2 1 331.504 3.082 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1)C(C)C ZINC000294004736 308182007 /nfs/dbraw/zinc/18/20/07/308182007.db2.gz PDVMBWATMAWHIC-CALCHBBNSA-N 2 1 331.504 3.082 20 0 EGADMP Cc1nocc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000294051082 308186000 /nfs/dbraw/zinc/18/60/00/308186000.db2.gz XAWZODHHJDHOMD-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000294692808 308246539 /nfs/dbraw/zinc/24/65/39/308246539.db2.gz ATOOISOERMZTLY-RLHTVVPMSA-N 2 1 332.488 3.411 20 0 EGADMP CO[C@H](C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)Cc1ccccc1 ZINC000294958400 308276164 /nfs/dbraw/zinc/27/61/64/308276164.db2.gz JRIDFOXHHBXSLA-LMNJBCLMSA-N 2 1 330.516 3.487 20 0 EGADMP CSCC1CCC([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000294965328 308277029 /nfs/dbraw/zinc/27/70/29/308277029.db2.gz FCBFFURHDPTZDK-GQOXECLESA-N 2 1 348.556 3.265 20 0 EGADMP c1nc(CCN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cs1 ZINC000295370295 308319327 /nfs/dbraw/zinc/31/93/27/308319327.db2.gz SHYRRIDMJQFICI-IBGZPJMESA-N 2 1 327.497 3.284 20 0 EGADMP c1nc(CC[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cs1 ZINC000295370295 308319329 /nfs/dbraw/zinc/31/93/29/308319329.db2.gz SHYRRIDMJQFICI-IBGZPJMESA-N 2 1 327.497 3.284 20 0 EGADMP c1nc(CC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cs1 ZINC000295370295 308319331 /nfs/dbraw/zinc/31/93/31/308319331.db2.gz SHYRRIDMJQFICI-IBGZPJMESA-N 2 1 327.497 3.284 20 0 EGADMP c1nc(CC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cs1 ZINC000295370295 308319333 /nfs/dbraw/zinc/31/93/33/308319333.db2.gz SHYRRIDMJQFICI-IBGZPJMESA-N 2 1 327.497 3.284 20 0 EGADMP c1nc(CC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cs1 ZINC000295370295 308319335 /nfs/dbraw/zinc/31/93/35/308319335.db2.gz SHYRRIDMJQFICI-IBGZPJMESA-N 2 1 327.497 3.284 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)CC[NH2+]1 ZINC000414694921 309095878 /nfs/dbraw/zinc/09/58/78/309095878.db2.gz TYDVUUUBPLKMMJ-HZPDHXFCSA-N 2 1 344.478 3.468 20 0 EGADMP CC[C@@H]([NH3+])CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414706050 309096359 /nfs/dbraw/zinc/09/63/59/309096359.db2.gz GBKCWEPUTHOCFM-MRXNPFEDSA-N 2 1 332.492 3.310 20 0 EGADMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)c(SC)cc1OC ZINC000414715971 309097064 /nfs/dbraw/zinc/09/70/64/309097064.db2.gz WJJJDCUYAUDFBR-KBPBESRZSA-N 2 1 338.517 3.246 20 0 EGADMP C[C@H]1C[C@@H](C[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)CC[NH2+]1 ZINC000414717934 309097168 /nfs/dbraw/zinc/09/71/68/309097168.db2.gz ZXBHTXHVLBNLIX-HOTGVXAUSA-N 2 1 344.478 3.468 20 0 EGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2cc(Br)ccc2F)CC[NH2+]1 ZINC000414745545 309098554 /nfs/dbraw/zinc/09/85/54/309098554.db2.gz KZQRNLZSNAHELF-RYUDHWBXSA-N 2 1 329.257 3.408 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCOc3ccc(Br)cc3C2)CC[NH2+]1 ZINC000414755216 309098984 /nfs/dbraw/zinc/09/89/84/309098984.db2.gz HCCYOALDOWEXFU-CHWSQXEVSA-N 2 1 339.277 3.032 20 0 EGADMP FC(F)(F)Oc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414772074 309099871 /nfs/dbraw/zinc/09/98/71/309099871.db2.gz BGADOOIEZQWQOG-CABCVRRESA-N 2 1 328.378 3.407 20 0 EGADMP Fc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000414773758 309100127 /nfs/dbraw/zinc/10/01/27/309100127.db2.gz DZQPTYDSEBWLJE-STQMWFEESA-N 2 1 341.268 3.410 20 0 EGADMP FC(F)(F)COc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414783149 309100751 /nfs/dbraw/zinc/10/07/51/309100751.db2.gz PKYGXQLSGJRLTR-JKSUJKDBSA-N 2 1 342.405 3.449 20 0 EGADMP Fc1cccc(Br)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414783651 309100764 /nfs/dbraw/zinc/10/07/64/309100764.db2.gz QHBADPHBHJEGOF-OLZOCXBDSA-N 2 1 341.268 3.410 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414782240 309100842 /nfs/dbraw/zinc/10/08/42/309100842.db2.gz OBSKKYWRJXPDMP-QZTJIDSGSA-N 2 1 332.488 3.306 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1OC ZINC000414784955 309100957 /nfs/dbraw/zinc/10/09/57/309100957.db2.gz RVWYVYWFOFTTPJ-UONOGXRCSA-N 2 1 338.879 3.179 20 0 EGADMP COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414788278 309101304 /nfs/dbraw/zinc/10/13/04/309101304.db2.gz WNYQCLLYSRTDMZ-KBPBESRZSA-N 2 1 340.414 3.118 20 0 EGADMP Fc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414788916 309101339 /nfs/dbraw/zinc/10/13/39/309101339.db2.gz XNAVEFOMFSWTMU-KBPBESRZSA-N 2 1 328.378 3.249 20 0 EGADMP FC(F)(F)c1cc(Br)cc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000414794570 309101832 /nfs/dbraw/zinc/10/18/32/309101832.db2.gz VKETVUZGOKDCJU-UHFFFAOYSA-N 2 1 337.183 3.310 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000414796914 309102184 /nfs/dbraw/zinc/10/21/84/309102184.db2.gz YBJRVUYHHWFMBS-CVEARBPZSA-N 2 1 329.271 3.322 20 0 EGADMP COc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)ccc1OCc1cccs1 ZINC000414801580 309102459 /nfs/dbraw/zinc/10/24/59/309102459.db2.gz UMKZDNFUWQDUHV-INIZCTEOSA-N 2 1 334.485 3.409 20 0 EGADMP CCCOc1ccc(Br)cc1C[NH2+]C[C@H](C)C[NH2+]C ZINC000414842062 309105038 /nfs/dbraw/zinc/10/50/38/309105038.db2.gz OUMGGBOXXOUQPV-GFCCVEGCSA-N 2 1 329.282 3.183 20 0 EGADMP CC(C)(C)c1cnc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)s1 ZINC000333174285 308852012 /nfs/dbraw/zinc/85/20/12/308852012.db2.gz QMNYUMBVDBKDRS-LSDHHAIUSA-N 2 1 337.533 3.159 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCOC4(CCC4)C3)CC2)oc1C ZINC000333316380 308856674 /nfs/dbraw/zinc/85/66/74/308856674.db2.gz OOMPZXJAELNKIX-SFHVURJKSA-N 2 1 347.503 3.195 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414863158 309106180 /nfs/dbraw/zinc/10/61/80/309106180.db2.gz XZNNXWQLZCTFGI-UKRRQHHQSA-N 2 1 332.879 3.312 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414928385 309109619 /nfs/dbraw/zinc/10/96/19/309109619.db2.gz BAAOKSYUUXXPGB-LRDDRELGSA-N 2 1 332.879 3.373 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000414979986 309112710 /nfs/dbraw/zinc/11/27/10/309112710.db2.gz VWNCOUJGBCVKBM-QGZVFWFLSA-N 2 1 332.879 3.312 20 0 EGADMP [NH3+]C[C@H]1CC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000415027193 309115237 /nfs/dbraw/zinc/11/52/37/309115237.db2.gz VVNISOSKRBVLQN-MXVIHJGJSA-N 3 1 329.532 3.048 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415062489 309117654 /nfs/dbraw/zinc/11/76/54/309117654.db2.gz FJDHDZSRQSAYRX-DYVFJYSZSA-N 2 1 337.895 3.473 20 0 EGADMP Clc1cccnc1OCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415086785 309119301 /nfs/dbraw/zinc/11/93/01/309119301.db2.gz KFNBIRNQEKKRGX-DOTOQJQBSA-N 2 1 331.847 3.197 20 0 EGADMP Cc1cccc(N2CCC([NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)CC2)[nH+]1 ZINC000415091213 309119625 /nfs/dbraw/zinc/11/96/25/309119625.db2.gz PYPALFUVBSSTSJ-IEBWSBKVSA-N 3 1 330.520 3.259 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415133651 309122901 /nfs/dbraw/zinc/12/29/01/309122901.db2.gz VJBVPNVZQGBCKY-ZFWWWQNUSA-N 2 1 332.879 3.251 20 0 EGADMP C[NH2+]CCC[N@H+](C)Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000415137954 309123288 /nfs/dbraw/zinc/12/32/88/309123288.db2.gz UODZRBDUTUCVET-UHFFFAOYSA-N 2 1 327.472 3.319 20 0 EGADMP C[NH2+]CCC[N@@H+](C)Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000415137954 309123289 /nfs/dbraw/zinc/12/32/89/309123289.db2.gz UODZRBDUTUCVET-UHFFFAOYSA-N 2 1 327.472 3.319 20 0 EGADMP C[NH2+]Cc1ccccc1NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000415903808 309147124 /nfs/dbraw/zinc/14/71/24/309147124.db2.gz QTISYKRIKNLEJO-INIZCTEOSA-N 2 1 332.492 3.182 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000415976609 309152473 /nfs/dbraw/zinc/15/24/73/309152473.db2.gz WFZLJFDUECDXRT-MRXNPFEDSA-N 2 1 340.471 3.048 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415982384 309152837 /nfs/dbraw/zinc/15/28/37/309152837.db2.gz XNJOYUXVGTZDGI-GASCZTMLSA-N 2 1 332.492 3.023 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCSC3(CCCCC3)C2)cc1 ZINC000420296052 309279962 /nfs/dbraw/zinc/27/99/62/309279962.db2.gz CXQWXBDDSNMZKS-QGZVFWFLSA-N 2 1 334.529 3.489 20 0 EGADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420299642 309280211 /nfs/dbraw/zinc/28/02/11/309280211.db2.gz JCRMLQJAUKUFQB-YSSFQJQWSA-N 2 1 346.902 3.134 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](CC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420298644 309280228 /nfs/dbraw/zinc/28/02/28/309280228.db2.gz FMTNBHVCBIHZRQ-HBMCJLEFSA-N 2 1 326.484 3.391 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000420299305 309280264 /nfs/dbraw/zinc/28/02/64/309280264.db2.gz AQAVVSLEDIGERH-NRDMVMEKSA-N 2 1 349.478 3.344 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000420299305 309280265 /nfs/dbraw/zinc/28/02/65/309280265.db2.gz AQAVVSLEDIGERH-NRDMVMEKSA-N 2 1 349.478 3.344 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccn(-c4ccc(Cl)cc4)n3)C[C@H]21 ZINC000420307423 309280787 /nfs/dbraw/zinc/28/07/87/309280787.db2.gz MGEDWVYIDKUZGN-MORSLUCNSA-N 2 1 330.863 3.085 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccn(-c4ccc(Cl)cc4)n3)C[C@H]21 ZINC000420307423 309280788 /nfs/dbraw/zinc/28/07/88/309280788.db2.gz MGEDWVYIDKUZGN-MORSLUCNSA-N 2 1 330.863 3.085 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420309711 309280913 /nfs/dbraw/zinc/28/09/13/309280913.db2.gz FGFHHMFZFLVDID-JKSUJKDBSA-N 2 1 342.874 3.147 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420309711 309280914 /nfs/dbraw/zinc/28/09/14/309280914.db2.gz FGFHHMFZFLVDID-JKSUJKDBSA-N 2 1 342.874 3.147 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420311150 309281248 /nfs/dbraw/zinc/28/12/48/309281248.db2.gz NHTSXIIYEQUICI-ZDUSSCGKSA-N 2 1 332.469 3.249 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420316817 309281565 /nfs/dbraw/zinc/28/15/65/309281565.db2.gz YNXSJTSWIBBWOQ-BJJXKVORSA-N 2 1 344.480 3.247 20 0 EGADMP Fc1cccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)co2)c1 ZINC000420319403 309281846 /nfs/dbraw/zinc/28/18/46/309281846.db2.gz ABMOVTCTIXXPEY-HOTGVXAUSA-N 2 1 329.419 3.302 20 0 EGADMP CC[NH+](CC)CCC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420321249 309282092 /nfs/dbraw/zinc/28/20/92/309282092.db2.gz ZUUQIBCGYQJPKX-GOSISDBHSA-N 3 1 335.561 3.424 20 0 EGADMP CC[NH+](CC)CCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420321249 309282093 /nfs/dbraw/zinc/28/20/93/309282093.db2.gz ZUUQIBCGYQJPKX-GOSISDBHSA-N 3 1 335.561 3.424 20 0 EGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420331679 309282917 /nfs/dbraw/zinc/28/29/17/309282917.db2.gz ITNGMVKDKISGRV-YUELXQCFSA-N 2 1 346.862 3.382 20 0 EGADMP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345766 309283502 /nfs/dbraw/zinc/28/35/02/309283502.db2.gz WOQHCZBLUBCYQB-DLBZAZTESA-N 2 1 343.515 3.244 20 0 EGADMP Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CC[C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000420359431 309284095 /nfs/dbraw/zinc/28/40/95/309284095.db2.gz KMEQJFQRAHMGEA-IRXDYDNUSA-N 2 1 326.488 3.440 20 0 EGADMP Cc1ccc2nc([C@H]3CCC[N@H+](CC[C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC000420359431 309284096 /nfs/dbraw/zinc/28/40/96/309284096.db2.gz KMEQJFQRAHMGEA-IRXDYDNUSA-N 2 1 326.488 3.440 20 0 EGADMP Cc1ccc2nc([C@H]3CCC[N@@H+](CC[C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC000420359431 309284097 /nfs/dbraw/zinc/28/40/97/309284097.db2.gz KMEQJFQRAHMGEA-IRXDYDNUSA-N 2 1 326.488 3.440 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2Cc3ccccc3OC[C@H]2C)cc1 ZINC000420367631 309284633 /nfs/dbraw/zinc/28/46/33/309284633.db2.gz HGHKCPQKTMVBIN-QAPCUYQASA-N 2 1 326.440 3.021 20 0 EGADMP CCN(C(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)c1cccc2ccccc21 ZINC000420370648 309284885 /nfs/dbraw/zinc/28/48/85/309284885.db2.gz CQRNXXKBWYXXJD-WMZOPIPTSA-N 2 1 339.483 3.109 20 0 EGADMP CCN(C(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)c1cccc2ccccc21 ZINC000420370648 309284886 /nfs/dbraw/zinc/28/48/86/309284886.db2.gz CQRNXXKBWYXXJD-WMZOPIPTSA-N 2 1 339.483 3.109 20 0 EGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420370878 309284925 /nfs/dbraw/zinc/28/49/25/309284925.db2.gz CZGITFHBGQHMTO-BEFAXECRSA-N 2 1 341.503 3.432 20 0 EGADMP CCCCc1nc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cs1 ZINC000420381438 309285206 /nfs/dbraw/zinc/28/52/06/309285206.db2.gz PAQZBYMKBIMFKA-AEFFLSMTSA-N 2 1 337.533 3.204 20 0 EGADMP FC(F)(F)c1ccc([C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000420377963 309285354 /nfs/dbraw/zinc/28/53/54/309285354.db2.gz TUXKUQGRCPLEOV-QGZVFWFLSA-N 2 1 342.405 3.468 20 0 EGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000420381779 309285537 /nfs/dbraw/zinc/28/55/37/309285537.db2.gz ZKBJURLJHBAXTI-GDLVEWKHSA-N 2 1 344.286 3.298 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3coc(-c4cccs4)n3)CC2)C1 ZINC000420389675 309285998 /nfs/dbraw/zinc/28/59/98/309285998.db2.gz MIFTXFUKBRFAEN-GDBMZVCRSA-N 2 1 347.484 3.121 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)C1 ZINC000420398519 309286265 /nfs/dbraw/zinc/28/62/65/309286265.db2.gz YYDMIEDJKFJDCU-NVXWUHKLSA-N 2 1 347.484 3.121 20 0 EGADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420964660 309304651 /nfs/dbraw/zinc/30/46/51/309304651.db2.gz NZAUFODBLCOPLD-RHSMWYFYSA-N 2 1 342.405 3.292 20 0 EGADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420964660 309304652 /nfs/dbraw/zinc/30/46/52/309304652.db2.gz NZAUFODBLCOPLD-RHSMWYFYSA-N 2 1 342.405 3.292 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccccc3SC)CC2)CC1 ZINC000420977446 309305521 /nfs/dbraw/zinc/30/55/21/309305521.db2.gz IDGPIWSNVSNFKA-UHFFFAOYSA-N 2 1 347.572 3.401 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(C)sc3C)CC2)CC1 ZINC000420981172 309305612 /nfs/dbraw/zinc/30/56/12/309305612.db2.gz MQXGLYPFNGTFKE-UHFFFAOYSA-N 2 1 335.561 3.357 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCc3ccc(Cl)cc3)CC2)CC1 ZINC000420985908 309305929 /nfs/dbraw/zinc/30/59/29/309305929.db2.gz XEKFUSRODIOKGS-UHFFFAOYSA-N 2 1 349.950 3.375 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(SC)cc3)CC2)CC1 ZINC000420984902 309306000 /nfs/dbraw/zinc/30/60/00/309306000.db2.gz VFXQAJIAYTXCHK-UHFFFAOYSA-N 2 1 347.572 3.401 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H]3C(C)=CCC[C@@H]3C)CC2)CC1 ZINC000421372692 309321256 /nfs/dbraw/zinc/32/12/56/309321256.db2.gz LIJSMJNSCWPSPZ-FPOVZHCZSA-N 2 1 333.564 3.471 20 0 EGADMP COc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)co2)cc1 ZINC000422634117 309362909 /nfs/dbraw/zinc/36/29/09/309362909.db2.gz JCLIUPHHBXDKAK-DZKIICNBSA-N 2 1 329.444 3.155 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)co2)cc1 ZINC000422634117 309362910 /nfs/dbraw/zinc/36/29/10/309362910.db2.gz JCLIUPHHBXDKAK-DZKIICNBSA-N 2 1 329.444 3.155 20 0 EGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422716165 309364707 /nfs/dbraw/zinc/36/47/07/309364707.db2.gz MZLXWVJFQWHWGK-DLBZAZTESA-N 2 1 327.428 3.282 20 0 EGADMP C[C@H](N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000422725942 309365251 /nfs/dbraw/zinc/36/52/51/309365251.db2.gz CPXQQGURDDTMDR-XKGZKEIXSA-N 2 1 329.532 3.047 20 0 EGADMP C[C@H](N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000422725942 309365252 /nfs/dbraw/zinc/36/52/52/309365252.db2.gz CPXQQGURDDTMDR-XKGZKEIXSA-N 2 1 329.532 3.047 20 0 EGADMP CCc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000422730822 309365465 /nfs/dbraw/zinc/36/54/65/309365465.db2.gz KLWMMURLPKHDJW-BURNTYAHSA-N 2 1 329.532 3.362 20 0 EGADMP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000422758838 309366949 /nfs/dbraw/zinc/36/69/49/309366949.db2.gz KCYGGPMMEUTPCQ-VFSICIBPSA-N 2 1 328.378 3.266 20 0 EGADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422827422 309370512 /nfs/dbraw/zinc/37/05/12/309370512.db2.gz DPSYTQZMBCTMLK-RTBURBONSA-N 2 1 326.488 3.123 20 0 EGADMP CCCC(=O)Nc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422883582 309373944 /nfs/dbraw/zinc/37/39/44/309373944.db2.gz QUBALEORBWZZQF-JXFKEZNVSA-N 2 1 339.483 3.473 20 0 EGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422901620 309375176 /nfs/dbraw/zinc/37/51/76/309375176.db2.gz SIRQVDSEPODGTC-XLIONFOSSA-N 2 1 338.499 3.120 20 0 EGADMP COc1cc(OC)cc(OCCC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422929384 309376554 /nfs/dbraw/zinc/37/65/54/309376554.db2.gz PSRZQSQQANHKAN-PMACEKPBSA-N 2 1 342.439 3.207 20 0 EGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422931400 309376777 /nfs/dbraw/zinc/37/67/77/309376777.db2.gz XPOWIQPHEHQJSF-RBUKOAKNSA-N 2 1 329.488 3.062 20 0 EGADMP C[C@H](NCc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@H]1CCC[NH2+]1 ZINC000423011105 309380768 /nfs/dbraw/zinc/38/07/68/309380768.db2.gz YZYAQYBMZFCVEP-JXFKEZNVSA-N 2 1 327.472 3.142 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CC[NH2+]2)cc1 ZINC000423030012 309381708 /nfs/dbraw/zinc/38/17/08/309381708.db2.gz SOAXOICXJNIXIF-CXQPBAHBSA-N 2 1 326.484 3.417 20 0 EGADMP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423046984 309382751 /nfs/dbraw/zinc/38/27/51/309382751.db2.gz GKKQZZQYGYSYEF-QRVBRYPASA-N 2 1 328.456 3.030 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000423061587 309383788 /nfs/dbraw/zinc/38/37/88/309383788.db2.gz LBTBARFZAMXZCB-UMVBOHGHSA-N 2 1 327.394 3.014 20 0 EGADMP CC[C@H]([NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@@H]1CCC[NH2+]1 ZINC000423077935 309384870 /nfs/dbraw/zinc/38/48/70/309384870.db2.gz UTTUREALHJHBOP-LWYYNNOASA-N 2 1 334.479 3.020 20 0 EGADMP Cc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CCC2)cc1C ZINC000423087907 309385460 /nfs/dbraw/zinc/38/54/60/309385460.db2.gz PBENTUJGETWKHF-NJDAHSKKSA-N 2 1 342.527 3.472 20 0 EGADMP Clc1ccc(CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)s1 ZINC000423110174 309386537 /nfs/dbraw/zinc/38/65/37/309386537.db2.gz USGHXBUCUSSQRG-BZUAXINKSA-N 2 1 342.936 3.471 20 0 EGADMP CC(C)Cc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000423124880 309386998 /nfs/dbraw/zinc/38/69/98/309386998.db2.gz MVRVQSWLLNPNRS-JGUMPVPUSA-N 2 1 329.532 3.360 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@H]2CC[NH2+]CC[C@@H]2C)[NH+](C)C)cc1 ZINC000423131956 309387592 /nfs/dbraw/zinc/38/75/92/309387592.db2.gz UDYHXHLBVKFREE-VDGAXYAQSA-N 2 1 333.520 3.054 20 0 EGADMP Fc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423132951 309387633 /nfs/dbraw/zinc/38/76/33/309387633.db2.gz PWBXTMFHOOEKOC-WSTZPKSXSA-N 2 1 339.458 3.487 20 0 EGADMP Fc1cccc(Cl)c1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423169998 309389089 /nfs/dbraw/zinc/38/90/89/309389089.db2.gz KYRQBCGNNFGAPW-IUNOTWKLSA-N 2 1 338.854 3.082 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](N[C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423188646 309389655 /nfs/dbraw/zinc/38/96/55/309389655.db2.gz LYAGSXOMFZMMHI-TUFLPTIASA-N 3 1 327.516 3.019 20 0 EGADMP [NH3+]C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000423223994 309391203 /nfs/dbraw/zinc/39/12/03/309391203.db2.gz BFSXPVVETVOXOS-DPVAKWRKSA-N 3 1 327.516 3.289 20 0 EGADMP [NH3+]C1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000423223994 309391204 /nfs/dbraw/zinc/39/12/04/309391204.db2.gz BFSXPVVETVOXOS-DPVAKWRKSA-N 2 1 327.516 3.289 20 0 EGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000423259972 309392884 /nfs/dbraw/zinc/39/28/84/309392884.db2.gz GHYFRTXFKLTQGX-SMDDNHRTSA-N 2 1 331.273 3.482 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000423299999 309394493 /nfs/dbraw/zinc/39/44/93/309394493.db2.gz QTOPYSBXIIOFKY-ICSRJNTNSA-N 2 1 327.472 3.481 20 0 EGADMP COC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423321095 309395104 /nfs/dbraw/zinc/39/51/04/309395104.db2.gz GCOXARVFBFQLBQ-CVEARBPZSA-N 2 1 330.394 3.372 20 0 EGADMP COc1ccc(C[C@@H]([NH2+]CC2([NH3+])CCC2)c2ccc(OC)cc2)cc1 ZINC000423332307 309395476 /nfs/dbraw/zinc/39/54/76/309395476.db2.gz QUHSEXDAWVIKCP-HXUWFJFHSA-N 2 1 340.467 3.459 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]([NH3+])C1CCC1)C1CCCCC1 ZINC000423345637 309396370 /nfs/dbraw/zinc/39/63/70/309396370.db2.gz FZFOHLIWSZINTF-HXUWFJFHSA-N 2 1 343.515 3.195 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000423363780 309397115 /nfs/dbraw/zinc/39/71/15/309397115.db2.gz VFOIMUOZDCDPEJ-FGTMMUONSA-N 2 1 343.515 3.433 20 0 EGADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1Cl ZINC000423488806 309402468 /nfs/dbraw/zinc/40/24/68/309402468.db2.gz FACSAMUGAXMMHA-ZFWWWQNUSA-N 2 1 326.868 3.156 20 0 EGADMP Fc1ccc(Cl)cc1C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424377660 309441121 /nfs/dbraw/zinc/44/11/21/309441121.db2.gz MMJWQQVAJWRCPG-UHFFFAOYSA-N 2 1 334.826 3.116 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000448552418 310006047 /nfs/dbraw/zinc/00/60/47/310006047.db2.gz XFUQZPNWMMVWAR-IBGZPJMESA-N 2 1 340.515 3.426 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000448552418 310006048 /nfs/dbraw/zinc/00/60/48/310006048.db2.gz XFUQZPNWMMVWAR-IBGZPJMESA-N 2 1 340.515 3.426 20 0 EGADMP CC1CC[NH+](CCC[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449063553 310034115 /nfs/dbraw/zinc/03/41/15/310034115.db2.gz QIOLHMSTYUSVOF-UHFFFAOYSA-N 2 1 344.478 3.438 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000449103328 310037416 /nfs/dbraw/zinc/03/74/16/310037416.db2.gz ARZHNYGNMAQBJT-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000449103328 310037417 /nfs/dbraw/zinc/03/74/17/310037417.db2.gz ARZHNYGNMAQBJT-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449130286 310039110 /nfs/dbraw/zinc/03/91/10/310039110.db2.gz GJRKLPFKDODPGW-MRXNPFEDSA-N 2 1 344.478 3.436 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449149455 310040550 /nfs/dbraw/zinc/04/05/50/310040550.db2.gz NOSJVLKWCWZBKG-QPIRBTGLSA-N 2 1 338.536 3.083 20 0 EGADMP CSCC1CCC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000449164813 310041571 /nfs/dbraw/zinc/04/15/71/310041571.db2.gz RHLSXKZOVNYBRN-MHJFOBGBSA-N 2 1 348.556 3.135 20 0 EGADMP CSCC1CCC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000449164813 310041572 /nfs/dbraw/zinc/04/15/72/310041572.db2.gz RHLSXKZOVNYBRN-MHJFOBGBSA-N 2 1 348.556 3.135 20 0 EGADMP OCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000449435234 310061980 /nfs/dbraw/zinc/06/19/80/310061980.db2.gz ADQOFRUHVYGHMC-ZACQAIPSSA-N 2 1 342.405 3.345 20 0 EGADMP OCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000449435234 310061981 /nfs/dbraw/zinc/06/19/81/310061981.db2.gz ADQOFRUHVYGHMC-ZACQAIPSSA-N 2 1 342.405 3.345 20 0 EGADMP CCN(C)C(=O)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(C)C ZINC000449442096 310062315 /nfs/dbraw/zinc/06/23/15/310062315.db2.gz WGNTYXCNJHFMIX-QRQLOZEOSA-N 2 1 337.552 3.122 20 0 EGADMP O[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000449578358 310073430 /nfs/dbraw/zinc/07/34/30/310073430.db2.gz KYQDZHFEGQRDFH-XNTOXWQXSA-N 2 1 328.500 3.038 20 0 EGADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000449905505 310093394 /nfs/dbraw/zinc/09/33/94/310093394.db2.gz FYVQZOSKSDSNPR-ICSRJNTNSA-N 2 1 347.547 3.260 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000450190672 310107809 /nfs/dbraw/zinc/10/78/09/310107809.db2.gz VIVVSMUOKNLLDE-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000450190672 310107810 /nfs/dbraw/zinc/10/78/10/310107810.db2.gz VIVVSMUOKNLLDE-UYAOXDASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)Oc1ccc2[nH+]ccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000450253047 310111218 /nfs/dbraw/zinc/11/12/18/310111218.db2.gz LUKXFDDHUGMMCW-JKSUJKDBSA-N 2 1 325.456 3.483 20 0 EGADMP CCc1nc(C[NH+]2CCC(CNc3cc[nH+]c(CC)c3)CC2)cs1 ZINC000450331334 310115910 /nfs/dbraw/zinc/11/59/10/310115910.db2.gz BTNFATKVEHHYFI-UHFFFAOYSA-N 2 1 344.528 3.409 20 0 EGADMP C[N@@H+](Cc1nnc(C2CC2)s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450635321 310134111 /nfs/dbraw/zinc/13/41/11/310134111.db2.gz AWRITRVZBZEKSP-UHFFFAOYSA-N 2 1 343.500 3.159 20 0 EGADMP C[N@H+](Cc1nnc(C2CC2)s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450635321 310134112 /nfs/dbraw/zinc/13/41/12/310134112.db2.gz AWRITRVZBZEKSP-UHFFFAOYSA-N 2 1 343.500 3.159 20 0 EGADMP C[C@@H]1C[N@@H+](CC23CC4CC(CC(C4)C2)C3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000450638217 310134278 /nfs/dbraw/zinc/13/42/78/310134278.db2.gz BLOMKOQHCHSJCH-IQIXRORZSA-N 2 1 345.575 3.161 20 0 EGADMP C[C@@H]1C[N@@H+](CC/C=C\c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000450651818 310135314 /nfs/dbraw/zinc/13/53/14/310135314.db2.gz LZCWYOQVJDWWLU-FUKWUPMWSA-N 2 1 327.516 3.190 20 0 EGADMP c1cn(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000453056035 310254643 /nfs/dbraw/zinc/25/46/43/310254643.db2.gz KOCGQNKAFUCZLD-ACRUOGEOSA-N 2 1 338.499 3.306 20 0 EGADMP C[C@H](CCCc1cccnc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000453083739 310256782 /nfs/dbraw/zinc/25/67/82/310256782.db2.gz NFOAFXAZTMSJSO-QRVBRYPASA-N 2 1 333.520 3.272 20 0 EGADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@@H](C3CC3)C3CCC3)C2)cc1 ZINC000453212183 310264352 /nfs/dbraw/zinc/26/43/52/310264352.db2.gz NYFARKVONBMAIY-LEWJYISDSA-N 2 1 328.500 3.446 20 0 EGADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@@H](C3CC3)C3CCC3)C2)cc1 ZINC000453212183 310264353 /nfs/dbraw/zinc/26/43/53/310264353.db2.gz NYFARKVONBMAIY-LEWJYISDSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000453213919 310264371 /nfs/dbraw/zinc/26/43/71/310264371.db2.gz MSAAUFPGFNDHEO-XLIONFOSSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000453213919 310264372 /nfs/dbraw/zinc/26/43/72/310264372.db2.gz MSAAUFPGFNDHEO-XLIONFOSSA-N 2 1 338.499 3.298 20 0 EGADMP OCC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453350141 310272367 /nfs/dbraw/zinc/27/23/67/310272367.db2.gz PDNAZRZBVDUBIR-ZCNNSNEGSA-N 2 1 328.500 3.182 20 0 EGADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000453391493 310274463 /nfs/dbraw/zinc/27/44/63/310274463.db2.gz DOGIBEKMYQRUCG-CEMLEFRQSA-N 3 1 341.543 3.361 20 0 EGADMP C[NH+](CCCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000453391493 310274464 /nfs/dbraw/zinc/27/44/64/310274464.db2.gz DOGIBEKMYQRUCG-CEMLEFRQSA-N 3 1 341.543 3.361 20 0 EGADMP C[NH+](CCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000453391493 310274465 /nfs/dbraw/zinc/27/44/65/310274465.db2.gz DOGIBEKMYQRUCG-CEMLEFRQSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000453411617 310275681 /nfs/dbraw/zinc/27/56/81/310275681.db2.gz VREGTMRTFMLXGX-CQSZACIVSA-N 2 1 329.488 3.441 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(C)on3)CC2)cs1 ZINC000459416077 310551053 /nfs/dbraw/zinc/55/10/53/310551053.db2.gz SHCXPIZCEIFINJ-UHFFFAOYSA-N 2 1 334.489 3.004 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCC(C)CC2)[C@@H]1C ZINC000474461634 310794033 /nfs/dbraw/zinc/79/40/33/310794033.db2.gz PWWGYXJVCPBARY-XWSJACJDSA-N 2 1 338.536 3.310 20 0 EGADMP Cc1ccccc1-n1nccc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000475205853 310808690 /nfs/dbraw/zinc/80/86/90/310808690.db2.gz AMRVOXJPXVIJII-UHFFFAOYSA-N 2 1 326.488 3.392 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000486939108 311003214 /nfs/dbraw/zinc/00/32/14/311003214.db2.gz JHJIUKSDQQQIEM-PXNSSMCTSA-N 2 1 343.515 3.097 20 0 EGADMP CCC[N@H+](CCn1cc[nH+]c1C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490032940 311130317 /nfs/dbraw/zinc/13/03/17/311130317.db2.gz MAPNDTCUVDIYDW-INIZCTEOSA-N 2 1 328.460 3.239 20 0 EGADMP CCC[N@@H+](CCn1cc[nH+]c1C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490032940 311130319 /nfs/dbraw/zinc/13/03/19/311130319.db2.gz MAPNDTCUVDIYDW-INIZCTEOSA-N 2 1 328.460 3.239 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCC1([NH+](C)C)CCCCCC1)c1ccccc1 ZINC000490208954 311136022 /nfs/dbraw/zinc/13/60/22/311136022.db2.gz FTMXPDKHMXOYBZ-IBGZPJMESA-N 2 1 345.531 3.450 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC[C@H]2CCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000492213507 311227047 /nfs/dbraw/zinc/22/70/47/311227047.db2.gz BMPWYXPTJSXTEO-GVDBMIGSSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H](NCC[NH+]1CCC(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492349849 311240851 /nfs/dbraw/zinc/24/08/51/311240851.db2.gz HRDRHWJCGQGNOW-TZIWHRDSSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]([NH2+]CCN1CCC(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492349849 311240853 /nfs/dbraw/zinc/24/08/53/311240853.db2.gz HRDRHWJCGQGNOW-TZIWHRDSSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]([NH2+]CCN1CCC(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492349849 311240854 /nfs/dbraw/zinc/24/08/54/311240854.db2.gz HRDRHWJCGQGNOW-TZIWHRDSSA-N 2 1 329.532 3.219 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496714636 311754112 /nfs/dbraw/zinc/75/41/12/311754112.db2.gz BERPSBPHBTWKFZ-SJORKVTESA-N 2 1 339.524 3.238 20 0 EGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000507954627 312085957 /nfs/dbraw/zinc/08/59/57/312085957.db2.gz WWUXRYSRIUSYBO-GFOJFJKKSA-N 2 1 330.516 3.285 20 0 EGADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000507954627 312085960 /nfs/dbraw/zinc/08/59/60/312085960.db2.gz WWUXRYSRIUSYBO-GFOJFJKKSA-N 2 1 330.516 3.285 20 0 EGADMP CC[N@H+]1CCC[C@H](CN[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000508695110 312099749 /nfs/dbraw/zinc/09/97/49/312099749.db2.gz HMICMVCXSYWGNC-NRSPTQNISA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC[C@H](CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000508695110 312099751 /nfs/dbraw/zinc/09/97/51/312099751.db2.gz HMICMVCXSYWGNC-NRSPTQNISA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC[C@H](CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000508695110 312099752 /nfs/dbraw/zinc/09/97/52/312099752.db2.gz HMICMVCXSYWGNC-NRSPTQNISA-N 3 1 329.532 3.219 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000508695110 312099755 /nfs/dbraw/zinc/09/97/55/312099755.db2.gz HMICMVCXSYWGNC-NRSPTQNISA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC[C@H](C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000508695110 312099759 /nfs/dbraw/zinc/09/97/59/312099759.db2.gz HMICMVCXSYWGNC-NRSPTQNISA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC[C@H](C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000508695110 312099761 /nfs/dbraw/zinc/09/97/61/312099761.db2.gz HMICMVCXSYWGNC-NRSPTQNISA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H](C[NH+]1CCCCC1)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721537 312100733 /nfs/dbraw/zinc/10/07/33/312100733.db2.gz VHRHHDOEBOPNBT-SFHLNBCPSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](CN1CCCCC1)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508721537 312100734 /nfs/dbraw/zinc/10/07/34/312100734.db2.gz VHRHHDOEBOPNBT-SFHLNBCPSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H](CN1CCCCC1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721537 312100736 /nfs/dbraw/zinc/10/07/36/312100736.db2.gz VHRHHDOEBOPNBT-SFHLNBCPSA-N 3 1 329.532 3.361 20 0 EGADMP CC(C)CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCCC1 ZINC000508836900 312103597 /nfs/dbraw/zinc/10/35/97/312103597.db2.gz FETVHRXKQLXZQT-UHFFFAOYSA-N 2 1 345.535 3.019 20 0 EGADMP CC(C)CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCCC1 ZINC000508836900 312103598 /nfs/dbraw/zinc/10/35/98/312103598.db2.gz FETVHRXKQLXZQT-UHFFFAOYSA-N 2 1 345.535 3.019 20 0 EGADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000510985032 312152342 /nfs/dbraw/zinc/15/23/42/312152342.db2.gz YZTMLYQEXHCLNN-DFQSSKMNSA-N 2 1 329.532 3.217 20 0 EGADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000510985032 312152344 /nfs/dbraw/zinc/15/23/44/312152344.db2.gz YZTMLYQEXHCLNN-DFQSSKMNSA-N 2 1 329.532 3.217 20 0 EGADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000510985032 312152345 /nfs/dbraw/zinc/15/23/45/312152345.db2.gz YZTMLYQEXHCLNN-DFQSSKMNSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000515048711 312262719 /nfs/dbraw/zinc/26/27/19/312262719.db2.gz QVZRJHVJQOMIAH-QAPCUYQASA-N 2 1 340.471 3.185 20 0 EGADMP Cc1ncc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n1C ZINC000515673369 312294458 /nfs/dbraw/zinc/29/44/58/312294458.db2.gz WNKSVDRBBWNFJB-LJQANCHMSA-N 2 1 326.488 3.120 20 0 EGADMP Cc1ncc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1C ZINC000515673369 312294461 /nfs/dbraw/zinc/29/44/61/312294461.db2.gz WNKSVDRBBWNFJB-LJQANCHMSA-N 2 1 326.488 3.120 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000516815512 312342968 /nfs/dbraw/zinc/34/29/68/312342968.db2.gz UMYDDTIAZXMLBM-NRSPTQNISA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000516815512 312342969 /nfs/dbraw/zinc/34/29/69/312342969.db2.gz UMYDDTIAZXMLBM-NRSPTQNISA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000516815512 312342970 /nfs/dbraw/zinc/34/29/70/312342970.db2.gz UMYDDTIAZXMLBM-NRSPTQNISA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000516815512 312342972 /nfs/dbraw/zinc/34/29/72/312342972.db2.gz UMYDDTIAZXMLBM-NRSPTQNISA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000516815512 312342973 /nfs/dbraw/zinc/34/29/73/312342973.db2.gz UMYDDTIAZXMLBM-NRSPTQNISA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000516815512 312342975 /nfs/dbraw/zinc/34/29/75/312342975.db2.gz UMYDDTIAZXMLBM-NRSPTQNISA-N 3 1 329.532 3.359 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000516815512 312342976 /nfs/dbraw/zinc/34/29/76/312342976.db2.gz UMYDDTIAZXMLBM-NRSPTQNISA-N 3 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000516815512 312342977 /nfs/dbraw/zinc/34/29/77/312342977.db2.gz UMYDDTIAZXMLBM-NRSPTQNISA-N 3 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000516815512 312342979 /nfs/dbraw/zinc/34/29/79/312342979.db2.gz UMYDDTIAZXMLBM-NRSPTQNISA-N 3 1 329.532 3.359 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000516815510 312343011 /nfs/dbraw/zinc/34/30/11/312343011.db2.gz UMYDDTIAZXMLBM-CEWLAPEOSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000516815510 312343013 /nfs/dbraw/zinc/34/30/13/312343013.db2.gz UMYDDTIAZXMLBM-CEWLAPEOSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000516815510 312343014 /nfs/dbraw/zinc/34/30/14/312343014.db2.gz UMYDDTIAZXMLBM-CEWLAPEOSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000516815510 312343016 /nfs/dbraw/zinc/34/30/16/312343016.db2.gz UMYDDTIAZXMLBM-CEWLAPEOSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000516815510 312343017 /nfs/dbraw/zinc/34/30/17/312343017.db2.gz UMYDDTIAZXMLBM-CEWLAPEOSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000516815510 312343018 /nfs/dbraw/zinc/34/30/18/312343018.db2.gz UMYDDTIAZXMLBM-CEWLAPEOSA-N 3 1 329.532 3.359 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000516815510 312343019 /nfs/dbraw/zinc/34/30/19/312343019.db2.gz UMYDDTIAZXMLBM-CEWLAPEOSA-N 3 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000516815510 312343020 /nfs/dbraw/zinc/34/30/20/312343020.db2.gz UMYDDTIAZXMLBM-CEWLAPEOSA-N 3 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000516815510 312343022 /nfs/dbraw/zinc/34/30/22/312343022.db2.gz UMYDDTIAZXMLBM-CEWLAPEOSA-N 3 1 329.532 3.359 20 0 EGADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000528352892 313071920 /nfs/dbraw/zinc/07/19/20/313071920.db2.gz LFIUZJSBGDJTDJ-UHFFFAOYSA-N 2 1 341.858 3.081 20 0 EGADMP C[NH+](C)[C@@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)C1CCCCC1 ZINC000531937364 313732715 /nfs/dbraw/zinc/73/27/15/313732715.db2.gz FNJUSJWOHZOLPT-PCKAHOCUSA-N 2 1 336.442 3.323 20 0 EGADMP Cc1cc(C(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(C)n1C ZINC000533098932 313872529 /nfs/dbraw/zinc/87/25/29/313872529.db2.gz NYOKJSRWIHMAHN-UHFFFAOYSA-N 2 1 345.531 3.413 20 0 EGADMP C[C@H]1C[C@@H](CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000537939227 314217796 /nfs/dbraw/zinc/21/77/96/314217796.db2.gz IIZNNKKMQOXRFM-JYRKZWEQSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@H]1C[C@@H](CC[NH2+][C@H]2CC[NH+](C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000537939227 314217798 /nfs/dbraw/zinc/21/77/98/314217798.db2.gz IIZNNKKMQOXRFM-JYRKZWEQSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@H]1C[C@@H](CC[NH2+][C@H]2CC[NH+](C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000537939227 314217801 /nfs/dbraw/zinc/21/78/01/314217801.db2.gz IIZNNKKMQOXRFM-JYRKZWEQSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@H]1C[C@@H](CC[NH2+][C@H]2CCN(C)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000537939227 314217803 /nfs/dbraw/zinc/21/78/03/314217803.db2.gz IIZNNKKMQOXRFM-JYRKZWEQSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@H]1C[C@@H](CC[NH2+][C@H]2CCN(C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000537939227 314217806 /nfs/dbraw/zinc/21/78/06/314217806.db2.gz IIZNNKKMQOXRFM-JYRKZWEQSA-N 2 1 329.532 3.217 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@H](C(C)C)[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000537992141 314222383 /nfs/dbraw/zinc/22/23/83/314222383.db2.gz YMACMKVTYNPWMF-BVYCBKJFSA-N 2 1 343.559 3.389 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000537992141 314222385 /nfs/dbraw/zinc/22/23/85/314222385.db2.gz YMACMKVTYNPWMF-BVYCBKJFSA-N 2 1 343.559 3.389 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000537992141 314222389 /nfs/dbraw/zinc/22/23/89/314222389.db2.gz YMACMKVTYNPWMF-BVYCBKJFSA-N 2 1 343.559 3.389 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C(C)C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000537992141 314222393 /nfs/dbraw/zinc/22/23/93/314222393.db2.gz YMACMKVTYNPWMF-BVYCBKJFSA-N 2 1 343.559 3.389 20 0 EGADMP CC[NH+]1CCC([NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000538196644 314231409 /nfs/dbraw/zinc/23/14/09/314231409.db2.gz TZZAQSOFONZSNI-ICSRJNTNSA-N 3 1 329.532 3.361 20 0 EGADMP CCN1CCC([NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000538196644 314231412 /nfs/dbraw/zinc/23/14/12/314231412.db2.gz TZZAQSOFONZSNI-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP CCN1CCC([NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000538196644 314231414 /nfs/dbraw/zinc/23/14/14/314231414.db2.gz TZZAQSOFONZSNI-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP CC(C)[NH+]1CCN(c2cccc(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)CC1 ZINC000539646387 314326153 /nfs/dbraw/zinc/32/61/53/314326153.db2.gz OBMKZBWJIQAGCM-HKUYNNGSSA-N 2 1 330.520 3.112 20 0 EGADMP CC[N@@H+](CC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)C1CC1 ZINC000539908721 314351037 /nfs/dbraw/zinc/35/10/37/314351037.db2.gz HYSFKAKTFMOXGE-UHFFFAOYSA-N 2 1 343.515 3.384 20 0 EGADMP Cc1cc(C)cc(NC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000548480905 315014996 /nfs/dbraw/zinc/01/49/96/315014996.db2.gz WEVGSDLILHZHSJ-UHFFFAOYSA-N 2 1 339.443 3.094 20 0 EGADMP COc1cccc2c(N3CC[C@H](C[NH+]4CCCC4)C3)cc(C)[nH+]c12 ZINC000549525050 315094993 /nfs/dbraw/zinc/09/49/93/315094993.db2.gz QZQACQPXPYSGTM-MRXNPFEDSA-N 2 1 325.456 3.474 20 0 EGADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCc2cccc(Br)c2C1)C1CC1 ZINC000550097972 315116528 /nfs/dbraw/zinc/11/65/28/315116528.db2.gz SRVCMJVBCCNQRJ-WMLDXEAASA-N 2 1 337.305 3.236 20 0 EGADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(-c2cnn(C)c2)c1 ZINC000554918087 315356920 /nfs/dbraw/zinc/35/69/20/315356920.db2.gz SDAFUBQZDYHFSZ-KRWDZBQOSA-N 2 1 326.488 3.215 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000563372924 316009612 /nfs/dbraw/zinc/00/96/12/316009612.db2.gz BXSKWDMXGIROFX-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]([NH2+]C(C)(C)CNC[C@@H](O)Cc1ccccc1)c1ccccc1 ZINC000563707399 316059224 /nfs/dbraw/zinc/05/92/24/316059224.db2.gz KEXZOAIXCGORGA-PXNSSMCTSA-N 2 1 326.484 3.309 20 0 EGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccc(N2CCOCC2)c1 ZINC000563880222 316084565 /nfs/dbraw/zinc/08/45/65/316084565.db2.gz WTVJEIPFNTXSGG-JXFKEZNVSA-N 2 1 331.504 3.081 20 0 EGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cccc(N2CCOCC2)c1 ZINC000563880228 316084784 /nfs/dbraw/zinc/08/47/84/316084784.db2.gz WTVJEIPFNTXSGG-OXQOHEQNSA-N 2 1 331.504 3.081 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000563894120 316087294 /nfs/dbraw/zinc/08/72/94/316087294.db2.gz GZXFAUJUPZFQCX-FQEVSTJZSA-N 2 1 339.483 3.434 20 0 EGADMP Cc1cccn2cc(COc3ccc(C[N@@H+](C)CCC[NH3+])cc3)nc12 ZINC000564654729 316182872 /nfs/dbraw/zinc/18/28/72/316182872.db2.gz BSKIMEHJDNJSKY-UHFFFAOYSA-N 2 1 338.455 3.002 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H]2CCCc3ccccc32)CC1 ZINC000565962747 316395704 /nfs/dbraw/zinc/39/57/04/316395704.db2.gz YZUYJCOLNXCEMC-OAQYLSRUSA-N 2 1 329.532 3.412 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000570295745 317036207 /nfs/dbraw/zinc/03/62/07/317036207.db2.gz MAPNZNMZULWZCW-HOTGVXAUSA-N 2 1 344.503 3.146 20 0 EGADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000570360061 317045074 /nfs/dbraw/zinc/04/50/74/317045074.db2.gz KGMXNGPUNAIMBJ-STQMWFEESA-N 2 1 343.284 3.451 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000570625984 317083137 /nfs/dbraw/zinc/08/31/37/317083137.db2.gz TWQRDWWUZFVHTE-HNNXBMFYSA-N 2 1 337.895 3.379 20 0 EGADMP CC(C)N(C)c1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cn1 ZINC000571350202 317186812 /nfs/dbraw/zinc/18/68/12/317186812.db2.gz OELOQLLKSXYKHK-UHFFFAOYSA-N 2 1 332.536 3.478 20 0 EGADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(O)c1 ZINC000571368451 317188042 /nfs/dbraw/zinc/18/80/42/317188042.db2.gz WNPHWSBSQSMCBM-YJBOKZPZSA-N 2 1 345.512 3.093 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000381933102 324248019 /nfs/dbraw/zinc/24/80/19/324248019.db2.gz SOCYFNANTYEYLH-OAGGEKHMSA-N 2 1 327.513 3.142 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000381933102 324248021 /nfs/dbraw/zinc/24/80/21/324248021.db2.gz SOCYFNANTYEYLH-OAGGEKHMSA-N 2 1 327.513 3.142 20 0 EGADMP O[C@H](CC1CCCC1)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000385898994 324264896 /nfs/dbraw/zinc/26/48/96/324264896.db2.gz FSDCTNPMLNAVAV-BHIFYINESA-N 2 1 342.527 3.382 20 0 EGADMP O[C@H](CC1CCCC1)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000385898994 324264900 /nfs/dbraw/zinc/26/49/00/324264900.db2.gz FSDCTNPMLNAVAV-BHIFYINESA-N 2 1 342.527 3.382 20 0 EGADMP O[C@H](CC1CCCC1)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000385898994 324264904 /nfs/dbraw/zinc/26/49/04/324264904.db2.gz FSDCTNPMLNAVAV-BHIFYINESA-N 2 1 342.527 3.382 20 0 EGADMP CC(C)CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C(C)(C)C ZINC000578672478 325002290 /nfs/dbraw/zinc/00/22/90/325002290.db2.gz HLLKYXDXTSVJNN-SJORKVTESA-N 2 1 325.541 3.014 20 0 EGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000579930136 325178352 /nfs/dbraw/zinc/17/83/52/325178352.db2.gz WGQYXDPIQZKXRE-HXUWFJFHSA-N 2 1 345.531 3.258 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](CN[C@@H]2C[C@@H](C)C[NH+](Cc3ccccc3)C2)C1 ZINC000581694589 325383050 /nfs/dbraw/zinc/38/30/50/325383050.db2.gz YHMYHFQLKCMTQW-HLAWJBBLSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@@H](CN[C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC000581694589 325383051 /nfs/dbraw/zinc/38/30/51/325383051.db2.gz YHMYHFQLKCMTQW-HLAWJBBLSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@@H](CN[C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC000581694589 325383052 /nfs/dbraw/zinc/38/30/52/325383052.db2.gz YHMYHFQLKCMTQW-HLAWJBBLSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@@H](C)CN(Cc3ccccc3)C2)C1 ZINC000581694589 325383053 /nfs/dbraw/zinc/38/30/53/325383053.db2.gz YHMYHFQLKCMTQW-HLAWJBBLSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@@H](C)CN(Cc3ccccc3)C2)C1 ZINC000581694589 325383054 /nfs/dbraw/zinc/38/30/54/325383054.db2.gz YHMYHFQLKCMTQW-HLAWJBBLSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@@H](C[NH2+][C@@H](C)c1cncc(Br)c1)C[NH+]1CCCC1 ZINC000581737327 325387740 /nfs/dbraw/zinc/38/77/40/325387740.db2.gz DIYZWEDVVHPLDA-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP COc1c(Br)cccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435377756 458125958 /nfs/dbraw/zinc/12/59/58/458125958.db2.gz AOSVDZHCFQZSTO-PBWFPOADSA-N 2 1 339.277 3.173 20 0 EGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOc1ccc2cc(Br)ccc2c1 ZINC000567645880 459139096 /nfs/dbraw/zinc/13/90/96/459139096.db2.gz HZUMFWNGSJOZHU-DLBZAZTESA-N 2 1 349.272 3.451 20 0 EGADMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1Br ZINC000158074709 455266672 /nfs/dbraw/zinc/26/66/72/455266672.db2.gz DMRULHJYBHMTBX-CQSZACIVSA-N 2 1 341.293 3.231 20 0 EGADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1Br ZINC000158074709 455266676 /nfs/dbraw/zinc/26/66/76/455266676.db2.gz DMRULHJYBHMTBX-CQSZACIVSA-N 2 1 341.293 3.231 20 0 EGADMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000158074709 455266679 /nfs/dbraw/zinc/26/66/79/455266679.db2.gz DMRULHJYBHMTBX-CQSZACIVSA-N 2 1 341.293 3.231 20 0 EGADMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC000158074709 455266682 /nfs/dbraw/zinc/26/66/82/455266682.db2.gz DMRULHJYBHMTBX-CQSZACIVSA-N 2 1 341.293 3.231 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000158834367 455331931 /nfs/dbraw/zinc/33/19/31/455331931.db2.gz XSCLOLQPNMVUCV-ICSRJNTNSA-N 2 1 338.536 3.159 20 0 EGADMP CC(C)c1ccc(C[N@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)c(C(C)C)c1 ZINC000631846543 460579742 /nfs/dbraw/zinc/57/97/42/460579742.db2.gz ZXIAICDUCRVDKD-LJQANCHMSA-N 2 1 341.503 3.431 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)ccc1C ZINC000076329177 453989292 /nfs/dbraw/zinc/98/92/92/453989292.db2.gz OWMKJGAWIWXHQM-SFHVURJKSA-N 2 1 346.519 3.183 20 0 EGADMP C[NH+](C)CC1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000042396333 454009529 /nfs/dbraw/zinc/00/95/29/454009529.db2.gz OHRNBBSMSYXYJZ-UHFFFAOYSA-N 2 1 329.257 3.362 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(C)cc2)CC1 ZINC000076776538 454035909 /nfs/dbraw/zinc/03/59/09/454035909.db2.gz NTGDIZFDJPHZFE-UHFFFAOYSA-N 2 1 345.531 3.055 20 0 EGADMP CC[N@@H+](Cc1ccc(OC)nc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000085824087 454039620 /nfs/dbraw/zinc/03/96/20/454039620.db2.gz HIQPCUFWEMQBLN-HXUWFJFHSA-N 2 1 339.483 3.434 20 0 EGADMP CC[N@H+](Cc1ccc(OC)nc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000085824087 454039626 /nfs/dbraw/zinc/03/96/26/454039626.db2.gz HIQPCUFWEMQBLN-HXUWFJFHSA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](Cc1ccc(OC)nc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000085824087 454039627 /nfs/dbraw/zinc/03/96/27/454039627.db2.gz HIQPCUFWEMQBLN-HXUWFJFHSA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](Cc1ccc(OC)nc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000085824087 454039632 /nfs/dbraw/zinc/03/96/32/454039632.db2.gz HIQPCUFWEMQBLN-HXUWFJFHSA-N 2 1 339.483 3.434 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@@H](C)C1 ZINC000245937631 455404184 /nfs/dbraw/zinc/40/41/84/455404184.db2.gz JJPYJONUELNYCV-DEYYWGMASA-N 2 1 339.886 3.378 20 0 EGADMP CN(CC[N@@H+](C)Cc1ccc2ccccc2c1)C1CC[NH+](C)CC1 ZINC000089269446 454132397 /nfs/dbraw/zinc/13/23/97/454132397.db2.gz CILLMGZZBQOOLF-UHFFFAOYSA-N 2 1 325.500 3.298 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(Br)cc2)[C@H](C)C1 ZINC000089516666 454158375 /nfs/dbraw/zinc/15/83/75/454158375.db2.gz JHVNJVSIITXSMN-CJNGLKHVSA-N 2 1 341.293 3.148 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000093982176 454181675 /nfs/dbraw/zinc/18/16/75/454181675.db2.gz LWHULOROIZJSBN-GFCCVEGCSA-N 2 1 329.257 3.408 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000093982176 454181679 /nfs/dbraw/zinc/18/16/79/454181679.db2.gz LWHULOROIZJSBN-GFCCVEGCSA-N 2 1 329.257 3.408 20 0 EGADMP CC1CC[NH+]([C@H](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)c2ccccc2)CC1 ZINC000131085984 454234596 /nfs/dbraw/zinc/23/45/96/454234596.db2.gz CRQHYIYOCPGFDG-CEWLAPEOSA-N 2 1 329.532 3.389 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)[C@H](C)C1 ZINC000095967429 454242917 /nfs/dbraw/zinc/24/29/17/454242917.db2.gz YARCBWICIVYVGR-VQIMIIECSA-N 2 1 334.479 3.194 20 0 EGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000120020447 454248263 /nfs/dbraw/zinc/24/82/63/454248263.db2.gz AALJKAHCMRLYGO-CRAIPNDOSA-N 2 1 345.487 3.456 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000090720525 454338246 /nfs/dbraw/zinc/33/82/46/454338246.db2.gz DRZONGZVGKRUOH-YPMHNXCESA-N 2 1 327.266 3.030 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Br ZINC000090720525 454338251 /nfs/dbraw/zinc/33/82/51/454338251.db2.gz DRZONGZVGKRUOH-YPMHNXCESA-N 2 1 327.266 3.030 20 0 EGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCSCc3ccccc3)CC2)C1 ZINC000090554353 454321619 /nfs/dbraw/zinc/32/16/19/454321619.db2.gz KTLQTKKXRMJTOT-HXUWFJFHSA-N 2 1 347.572 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3cccnc3)CC2)C1 ZINC000090585481 454323615 /nfs/dbraw/zinc/32/36/15/454323615.db2.gz ULYMOUUTTYQLMM-HXUWFJFHSA-N 2 1 344.547 3.004 20 0 EGADMP COc1ccc(C[C@H](C)C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000090936622 454351356 /nfs/dbraw/zinc/35/13/56/454351356.db2.gz CIDGISHJSOOYEI-DFGXFYAUSA-N 2 1 334.504 3.201 20 0 EGADMP COc1cccc(C[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C2CC2)c1 ZINC000121274430 454414669 /nfs/dbraw/zinc/41/46/69/454414669.db2.gz FHHNWICPCHUEAY-QRWLVFNGSA-N 2 1 327.472 3.447 20 0 EGADMP OC1CC[NH+](CCC[NH2+][C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC000091306479 454424000 /nfs/dbraw/zinc/42/40/00/454424000.db2.gz JPTNECDCAMKBFZ-HXUWFJFHSA-N 2 1 334.479 3.493 20 0 EGADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2cc(C)ccc2C)CC1 ZINC000047978605 454428233 /nfs/dbraw/zinc/42/82/33/454428233.db2.gz QUNCVXOOIMEJQN-UHFFFAOYSA-N 2 1 331.504 3.296 20 0 EGADMP Cc1cc(C(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(C)[nH]1 ZINC000121747813 454471681 /nfs/dbraw/zinc/47/16/81/454471681.db2.gz YIOXFVCFUAIAJK-UHFFFAOYSA-N 2 1 331.504 3.402 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000134079991 454501693 /nfs/dbraw/zinc/50/16/93/454501693.db2.gz FJOIWUJONCDQGR-GASCZTMLSA-N 2 1 349.485 3.359 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000134079991 454501696 /nfs/dbraw/zinc/50/16/96/454501696.db2.gz FJOIWUJONCDQGR-GASCZTMLSA-N 2 1 349.485 3.359 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000074227592 454547205 /nfs/dbraw/zinc/54/72/05/454547205.db2.gz IENHFLYVIBROSJ-CALCHBBNSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000074227592 454547209 /nfs/dbraw/zinc/54/72/09/454547209.db2.gz IENHFLYVIBROSJ-CALCHBBNSA-N 2 1 348.535 3.269 20 0 EGADMP C[NH2+]Cc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000122743250 454564732 /nfs/dbraw/zinc/56/47/32/454564732.db2.gz ONDRZXUEWUFBJV-LJQANCHMSA-N 2 1 337.467 3.257 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000104204930 454577649 /nfs/dbraw/zinc/57/76/49/454577649.db2.gz UWBRMWWJZQEZHI-MJGOQNOKSA-N 2 1 347.503 3.043 20 0 EGADMP c1cn(-c2ccc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)cn1 ZINC000134903247 454606320 /nfs/dbraw/zinc/60/63/20/454606320.db2.gz PQXPCBIWDXUCBH-WIYYLYMNSA-N 2 1 336.483 3.321 20 0 EGADMP c1cn(-c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2)cn1 ZINC000134903247 454606325 /nfs/dbraw/zinc/60/63/25/454606325.db2.gz PQXPCBIWDXUCBH-WIYYLYMNSA-N 2 1 336.483 3.321 20 0 EGADMP c1cn(-c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2)cn1 ZINC000134903247 454606330 /nfs/dbraw/zinc/60/63/30/454606330.db2.gz PQXPCBIWDXUCBH-WIYYLYMNSA-N 2 1 336.483 3.321 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000123171156 454610727 /nfs/dbraw/zinc/61/07/27/454610727.db2.gz WVHNFORIRHSYEJ-NHCUHLMSSA-N 2 1 343.559 3.432 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC000052077485 454654836 /nfs/dbraw/zinc/65/48/36/454654836.db2.gz VBMZANBBBNAQKR-GOSISDBHSA-N 2 1 349.906 3.077 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC000052077485 454654841 /nfs/dbraw/zinc/65/48/41/454654841.db2.gz VBMZANBBBNAQKR-GOSISDBHSA-N 2 1 349.906 3.077 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2C)CC1 ZINC000052209844 454661447 /nfs/dbraw/zinc/66/14/47/454661447.db2.gz YOZAPAXSELZLJO-UHFFFAOYSA-N 2 1 331.504 3.377 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2C)CC1 ZINC000052209844 454661453 /nfs/dbraw/zinc/66/14/53/454661453.db2.gz YOZAPAXSELZLJO-UHFFFAOYSA-N 2 1 331.504 3.377 20 0 EGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000105918297 454669147 /nfs/dbraw/zinc/66/91/47/454669147.db2.gz ZEHWBMBFQCQGLW-UHFFFAOYSA-N 2 1 335.455 3.061 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+](C)CCCn1ccnc1 ZINC000124441869 454733605 /nfs/dbraw/zinc/73/36/05/454733605.db2.gz ARGDZUXEESVDAD-MRXNPFEDSA-N 2 1 336.439 3.385 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093769931 454734512 /nfs/dbraw/zinc/73/45/12/454734512.db2.gz KPILNNWBVZLDRT-FQEVSTJZSA-N 2 1 340.515 3.322 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093769931 454734514 /nfs/dbraw/zinc/73/45/14/454734514.db2.gz KPILNNWBVZLDRT-FQEVSTJZSA-N 2 1 340.515 3.322 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093769931 454734516 /nfs/dbraw/zinc/73/45/16/454734516.db2.gz KPILNNWBVZLDRT-FQEVSTJZSA-N 2 1 340.515 3.322 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093769931 454734519 /nfs/dbraw/zinc/73/45/19/454734519.db2.gz KPILNNWBVZLDRT-FQEVSTJZSA-N 2 1 340.515 3.322 20 0 EGADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1OC ZINC000124513853 454742671 /nfs/dbraw/zinc/74/26/71/454742671.db2.gz SSGDVDLCNRBKQK-IBGZPJMESA-N 2 1 333.520 3.010 20 0 EGADMP Cc1ccccc1C[NH+]1CCC(N[C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000162144728 454754199 /nfs/dbraw/zinc/75/41/99/454754199.db2.gz QAVGDYOZBSXUEW-UEXGIBASSA-N 2 1 329.532 3.278 20 0 EGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000136764976 454755761 /nfs/dbraw/zinc/75/57/61/454755761.db2.gz MQHKPJUVKBROKB-SFHVURJKSA-N 2 1 346.515 3.338 20 0 EGADMP Cc1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1C ZINC000620437337 460653002 /nfs/dbraw/zinc/65/30/02/460653002.db2.gz ITWXQSFTIWSARB-LJQANCHMSA-N 2 1 343.540 3.443 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000125035527 454791463 /nfs/dbraw/zinc/79/14/63/454791463.db2.gz YAWDEYIDEMTZNZ-HXUWFJFHSA-N 2 1 329.488 3.491 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000125035527 454791464 /nfs/dbraw/zinc/79/14/64/454791464.db2.gz YAWDEYIDEMTZNZ-HXUWFJFHSA-N 2 1 329.488 3.491 20 0 EGADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000182248640 455471970 /nfs/dbraw/zinc/47/19/70/455471970.db2.gz KZYPREAMJCCPJH-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3cccc(Cl)c3)CC[C@@H]21 ZINC000162805105 454801276 /nfs/dbraw/zinc/80/12/76/454801276.db2.gz WHKSMGGALAUVLN-YOEHRIQHSA-N 2 1 335.879 3.085 20 0 EGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](C3CCCC3)CC2)o1 ZINC000176993201 454809521 /nfs/dbraw/zinc/80/95/21/454809521.db2.gz ZXPCDPYFBSSTRG-UHFFFAOYSA-N 2 1 328.460 3.475 20 0 EGADMP CCc1ccc2c(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc(=O)oc2c1 ZINC000139981051 454813811 /nfs/dbraw/zinc/81/38/11/454813811.db2.gz USMDYFGJBDEOSI-VQIMIIECSA-N 2 1 340.467 3.272 20 0 EGADMP CCc1ccc2c(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc(=O)oc2c1 ZINC000139981051 454813813 /nfs/dbraw/zinc/81/38/13/454813813.db2.gz USMDYFGJBDEOSI-VQIMIIECSA-N 2 1 340.467 3.272 20 0 EGADMP CCc1ccc2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc(=O)oc2c1 ZINC000139981051 454813818 /nfs/dbraw/zinc/81/38/18/454813818.db2.gz USMDYFGJBDEOSI-VQIMIIECSA-N 2 1 340.467 3.272 20 0 EGADMP CCc1ccc2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc(=O)oc2c1 ZINC000139981051 454813820 /nfs/dbraw/zinc/81/38/20/454813820.db2.gz USMDYFGJBDEOSI-VQIMIIECSA-N 2 1 340.467 3.272 20 0 EGADMP C[C@@H](N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153678058 454819977 /nfs/dbraw/zinc/81/99/77/454819977.db2.gz XYFINRKVGOZZOZ-MJGOQNOKSA-N 2 1 345.531 3.295 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(C2CCCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153678058 454819983 /nfs/dbraw/zinc/81/99/83/454819983.db2.gz XYFINRKVGOZZOZ-MJGOQNOKSA-N 2 1 345.531 3.295 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCNc2ncc(Cl)cc2Cl)[C@H](C)C1 ZINC000163104426 454823011 /nfs/dbraw/zinc/82/30/11/454823011.db2.gz FNWWXOPLIGAUGL-RISCZKNCSA-N 2 1 331.291 3.120 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000246291556 455465347 /nfs/dbraw/zinc/46/53/47/455465347.db2.gz NIKMAINPTNYCLT-YQVWRLOYSA-N 2 1 345.531 3.339 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000163414222 454846025 /nfs/dbraw/zinc/84/60/25/454846025.db2.gz XTDGPJLKOBLYKO-HXUWFJFHSA-N 2 1 325.456 3.146 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000163414222 454846027 /nfs/dbraw/zinc/84/60/27/454846027.db2.gz XTDGPJLKOBLYKO-HXUWFJFHSA-N 2 1 325.456 3.146 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000177473931 454868158 /nfs/dbraw/zinc/86/81/58/454868158.db2.gz IJGAWIWUGQMYIK-RLLQIKCJSA-N 2 1 343.515 3.030 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000177473931 454868161 /nfs/dbraw/zinc/86/81/61/454868161.db2.gz IJGAWIWUGQMYIK-RLLQIKCJSA-N 2 1 343.515 3.030 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000177473931 454868163 /nfs/dbraw/zinc/86/81/63/454868163.db2.gz IJGAWIWUGQMYIK-RLLQIKCJSA-N 2 1 343.515 3.030 20 0 EGADMP C[N@H+](CC(=O)Nc1ccc(Oc2ccncc2)cc1)[C@H]1CCSC1 ZINC000155218731 454975998 /nfs/dbraw/zinc/97/59/98/454975998.db2.gz PNPYOGFBAGIAAF-HNNXBMFYSA-N 2 1 343.452 3.250 20 0 EGADMP C[N@@H+](CC(=O)Nc1ccc(Oc2ccncc2)cc1)[C@H]1CCSC1 ZINC000155218731 454976000 /nfs/dbraw/zinc/97/60/00/454976000.db2.gz PNPYOGFBAGIAAF-HNNXBMFYSA-N 2 1 343.452 3.250 20 0 EGADMP Fc1ccc(-c2noc([C@H]3CCC[N@@H+](CC4CC[NH2+]CC4)C3)n2)cc1 ZINC000178971332 454994855 /nfs/dbraw/zinc/99/48/55/454994855.db2.gz SZXQMRGIIUDEGE-INIZCTEOSA-N 2 1 344.434 3.055 20 0 EGADMP CC(C)CC[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000623646996 460658544 /nfs/dbraw/zinc/65/85/44/460658544.db2.gz VTIHXGLYGAYJDI-FQEVSTJZSA-N 2 1 336.495 3.219 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)N(C)c2ccccc2)[C@H](C)C1 ZINC000156142076 455086143 /nfs/dbraw/zinc/08/61/43/455086143.db2.gz FGHIODTXHVUSPR-SBHAEUEKSA-N 2 1 347.547 3.238 20 0 EGADMP Cc1ccc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1Cl ZINC000118868289 455115254 /nfs/dbraw/zinc/11/52/54/455115254.db2.gz NIWKDMIKCXGZGL-UHFFFAOYSA-N 2 1 337.895 3.251 20 0 EGADMP COC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000152444991 455120478 /nfs/dbraw/zinc/12/04/78/455120478.db2.gz SBOODPNSBMOFJF-GUYCJALGSA-N 2 1 342.405 3.467 20 0 EGADMP COC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000152444991 455120482 /nfs/dbraw/zinc/12/04/82/455120482.db2.gz SBOODPNSBMOFJF-GUYCJALGSA-N 2 1 342.405 3.467 20 0 EGADMP C[S@](=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000119046127 455122778 /nfs/dbraw/zinc/12/27/78/455122778.db2.gz HUZXTHSQNXGQKK-HSZRJFAPSA-N 2 1 334.529 3.311 20 0 EGADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cnn1-c1ccc(F)cc1 ZINC000152481280 455125145 /nfs/dbraw/zinc/12/51/45/455125145.db2.gz DOAILKOSDVHMHN-GDBMZVCRSA-N 2 1 342.462 3.455 20 0 EGADMP COc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000156646361 455141472 /nfs/dbraw/zinc/14/14/72/455141472.db2.gz YXFOXFIKUODBDI-OVQGTLEDSA-N 2 1 345.531 3.150 20 0 EGADMP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(-c2ccc(F)cc2)n1 ZINC000623657018 460664932 /nfs/dbraw/zinc/66/49/32/460664932.db2.gz HZAHFEGZSAIPOI-OAHLLOKOSA-N 2 1 330.451 3.048 20 0 EGADMP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000623657235 460665110 /nfs/dbraw/zinc/66/51/10/460665110.db2.gz LUWAGGQQJICRSE-QGZVFWFLSA-N 2 1 326.488 3.217 20 0 EGADMP CC(C)[C@H](C)NC(=O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157003958 455160655 /nfs/dbraw/zinc/16/06/55/455160655.db2.gz AVOOUMFOWFAPPL-WSTZPKSXSA-N 2 1 345.531 3.132 20 0 EGADMP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(-c2ccnn2C)c1 ZINC000623657724 460665502 /nfs/dbraw/zinc/66/55/02/460665502.db2.gz XOXZJJSOKSSCCV-KRWDZBQOSA-N 2 1 326.488 3.217 20 0 EGADMP Cc1nn2c(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)c(C(C)C)nc2s1 ZINC000623657232 460665565 /nfs/dbraw/zinc/66/55/65/460665565.db2.gz LTXAQHRYHXSYCZ-AWEZNQCLSA-N 2 1 335.521 3.044 20 0 EGADMP Cc1nn2c(C[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)c(C(C)C)nc2s1 ZINC000623657232 460665570 /nfs/dbraw/zinc/66/55/70/460665570.db2.gz LTXAQHRYHXSYCZ-AWEZNQCLSA-N 2 1 335.521 3.044 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3nccn3C)CC2)cs1 ZINC000182949467 455197920 /nfs/dbraw/zinc/19/79/20/455197920.db2.gz SBLRGUHFQBLODD-AWEZNQCLSA-N 2 1 347.532 3.002 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000265275204 455303122 /nfs/dbraw/zinc/30/31/22/455303122.db2.gz HHXNSLGQXURMKG-IBGZPJMESA-N 2 1 345.531 3.332 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000265275204 455303127 /nfs/dbraw/zinc/30/31/27/455303127.db2.gz HHXNSLGQXURMKG-IBGZPJMESA-N 2 1 345.531 3.332 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000265275204 455303132 /nfs/dbraw/zinc/30/31/32/455303132.db2.gz HHXNSLGQXURMKG-IBGZPJMESA-N 2 1 345.531 3.332 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1[C@@H]3CCO[C@H]3C13CCCC3)C2 ZINC000245624557 455343138 /nfs/dbraw/zinc/34/31/38/455343138.db2.gz PTDOHJYGJXIECD-PWRODBHTSA-N 2 1 340.511 3.372 20 0 EGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1[C@@H]3CCO[C@H]3C13CCCC3)C2 ZINC000245624557 455343141 /nfs/dbraw/zinc/34/31/41/455343141.db2.gz PTDOHJYGJXIECD-PWRODBHTSA-N 2 1 340.511 3.372 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccnc1 ZINC000245641238 455346953 /nfs/dbraw/zinc/34/69/53/455346953.db2.gz YOASOBXSZLEITG-DLBZAZTESA-N 2 1 325.456 3.153 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccnc1 ZINC000245641238 455346957 /nfs/dbraw/zinc/34/69/57/455346957.db2.gz YOASOBXSZLEITG-DLBZAZTESA-N 2 1 325.456 3.153 20 0 EGADMP CO[C@@H](C)c1nc(CN2CCC[C@@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000245704211 455360436 /nfs/dbraw/zinc/36/04/36/455360436.db2.gz YAVSDWNZJUPASS-KBPBESRZSA-N 2 1 334.489 3.039 20 0 EGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccccn1 ZINC000245835894 455382728 /nfs/dbraw/zinc/38/27/28/455382728.db2.gz AOYLCNKVDJCYOM-RXVVDRJESA-N 2 1 338.499 3.111 20 0 EGADMP CCc1noc(-c2ccc(CC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)cc2)n1 ZINC000246298379 455466078 /nfs/dbraw/zinc/46/60/78/455466078.db2.gz CXLRCLWGGHUCPZ-IIDMSEBBSA-N 2 1 342.487 3.160 20 0 EGADMP COc1ccccc1OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246527909 455505898 /nfs/dbraw/zinc/50/58/98/455505898.db2.gz JFFYCELLAHWKTC-FUHWJXTLSA-N 2 1 330.472 3.023 20 0 EGADMP COc1ccccc1OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246527909 455505901 /nfs/dbraw/zinc/50/59/01/455505901.db2.gz JFFYCELLAHWKTC-FUHWJXTLSA-N 2 1 330.472 3.023 20 0 EGADMP COc1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246527909 455505906 /nfs/dbraw/zinc/50/59/06/455505906.db2.gz JFFYCELLAHWKTC-FUHWJXTLSA-N 2 1 330.472 3.023 20 0 EGADMP COc1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246527909 455505910 /nfs/dbraw/zinc/50/59/10/455505910.db2.gz JFFYCELLAHWKTC-FUHWJXTLSA-N 2 1 330.472 3.023 20 0 EGADMP COc1ccc(OCCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246800128 455525836 /nfs/dbraw/zinc/52/58/36/455525836.db2.gz MTPWQEKDWGOAIR-LAUBAEHRSA-N 2 1 344.499 3.413 20 0 EGADMP COc1ccc(OCCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246800128 455525842 /nfs/dbraw/zinc/52/58/42/455525842.db2.gz MTPWQEKDWGOAIR-LAUBAEHRSA-N 2 1 344.499 3.413 20 0 EGADMP COc1ccc(OCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246800128 455525847 /nfs/dbraw/zinc/52/58/47/455525847.db2.gz MTPWQEKDWGOAIR-LAUBAEHRSA-N 2 1 344.499 3.413 20 0 EGADMP COc1ccc(OCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246800128 455525854 /nfs/dbraw/zinc/52/58/54/455525854.db2.gz MTPWQEKDWGOAIR-LAUBAEHRSA-N 2 1 344.499 3.413 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000246879853 455533896 /nfs/dbraw/zinc/53/38/96/455533896.db2.gz GPGNCJDJTFEZJF-IXDOHACOSA-N 2 1 339.524 3.001 20 0 EGADMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000192009408 455540946 /nfs/dbraw/zinc/54/09/46/455540946.db2.gz YMRJNGDIIXDISD-SJLPKXTDSA-N 2 1 338.455 3.036 20 0 EGADMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000192009408 455540953 /nfs/dbraw/zinc/54/09/53/455540953.db2.gz YMRJNGDIIXDISD-SJLPKXTDSA-N 2 1 338.455 3.036 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000247114782 455561680 /nfs/dbraw/zinc/56/16/80/455561680.db2.gz QVPLYYKFLLZEFS-LVCYWYKZSA-N 2 1 347.547 3.226 20 0 EGADMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000247114782 455561682 /nfs/dbraw/zinc/56/16/82/455561682.db2.gz QVPLYYKFLLZEFS-LVCYWYKZSA-N 2 1 347.547 3.226 20 0 EGADMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000247114782 455561685 /nfs/dbraw/zinc/56/16/85/455561685.db2.gz QVPLYYKFLLZEFS-LVCYWYKZSA-N 2 1 347.547 3.226 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC000247114782 455561689 /nfs/dbraw/zinc/56/16/89/455561689.db2.gz QVPLYYKFLLZEFS-LVCYWYKZSA-N 2 1 347.547 3.226 20 0 EGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000247126921 455562960 /nfs/dbraw/zinc/56/29/60/455562960.db2.gz NFOOFIIFAYSWBY-OALUTQOASA-N 2 1 344.503 3.147 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000247126921 455562965 /nfs/dbraw/zinc/56/29/65/455562965.db2.gz NFOOFIIFAYSWBY-OALUTQOASA-N 2 1 344.503 3.147 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000247126921 455562971 /nfs/dbraw/zinc/56/29/71/455562971.db2.gz NFOOFIIFAYSWBY-OALUTQOASA-N 2 1 344.503 3.147 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000247126921 455562976 /nfs/dbraw/zinc/56/29/76/455562976.db2.gz NFOOFIIFAYSWBY-OALUTQOASA-N 2 1 344.503 3.147 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000185623931 455586649 /nfs/dbraw/zinc/58/66/49/455586649.db2.gz KBSJQQKJHIURNE-BXUZGUMPSA-N 2 1 332.414 3.197 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000185623931 455586653 /nfs/dbraw/zinc/58/66/53/455586653.db2.gz KBSJQQKJHIURNE-BXUZGUMPSA-N 2 1 332.414 3.197 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1sccc1C[NH+](C)C ZINC000268091731 455590802 /nfs/dbraw/zinc/59/08/02/455590802.db2.gz IYFBMDHASTUJAG-HNNXBMFYSA-N 2 1 337.533 3.194 20 0 EGADMP CCc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185659472 455591198 /nfs/dbraw/zinc/59/11/98/455591198.db2.gz XTPPVIJFFBOVMV-FUHWJXTLSA-N 2 1 343.515 3.430 20 0 EGADMP CCc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185659472 455591202 /nfs/dbraw/zinc/59/12/02/455591202.db2.gz XTPPVIJFFBOVMV-FUHWJXTLSA-N 2 1 343.515 3.430 20 0 EGADMP C[C@H]([NH2+]CC(=O)N(C)C1CCC(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185688752 455596791 /nfs/dbraw/zinc/59/67/91/455596791.db2.gz IGEZZHFPZWDGQN-YBXZHIRMSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]([NH2+]CC(=O)N(C)C1CCC(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185688752 455596794 /nfs/dbraw/zinc/59/67/94/455596794.db2.gz IGEZZHFPZWDGQN-YBXZHIRMSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000185707038 455601828 /nfs/dbraw/zinc/60/18/28/455601828.db2.gz UYOPORWZIGBLDX-JENIJYKNSA-N 2 1 343.515 3.106 20 0 EGADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000185707038 455601834 /nfs/dbraw/zinc/60/18/34/455601834.db2.gz UYOPORWZIGBLDX-JENIJYKNSA-N 2 1 343.515 3.106 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185724743 455606143 /nfs/dbraw/zinc/60/61/43/455606143.db2.gz GTXQURIBFTVXGI-MBOZVWFJSA-N 2 1 341.499 3.035 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724743 455606147 /nfs/dbraw/zinc/60/61/47/455606147.db2.gz GTXQURIBFTVXGI-MBOZVWFJSA-N 2 1 341.499 3.035 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185739620 455611518 /nfs/dbraw/zinc/61/15/18/455611518.db2.gz RBMGACNWGRLQAF-SJORKVTESA-N 2 1 329.488 3.176 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185739620 455611522 /nfs/dbraw/zinc/61/15/22/455611522.db2.gz RBMGACNWGRLQAF-SJORKVTESA-N 2 1 329.488 3.176 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749795 455614312 /nfs/dbraw/zinc/61/43/12/455614312.db2.gz SMAQOXOFRWZYPD-QFBILLFUSA-N 2 1 343.515 3.131 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749795 455614318 /nfs/dbraw/zinc/61/43/18/455614318.db2.gz SMAQOXOFRWZYPD-QFBILLFUSA-N 2 1 343.515 3.131 20 0 EGADMP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000283979655 455619722 /nfs/dbraw/zinc/61/97/22/455619722.db2.gz CQLOALDZODCCOX-NVXWUHKLSA-N 2 1 338.517 3.005 20 0 EGADMP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000283979655 455619728 /nfs/dbraw/zinc/61/97/28/455619728.db2.gz CQLOALDZODCCOX-NVXWUHKLSA-N 2 1 338.517 3.005 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2C(F)(F)F)CCCO1 ZINC000277648361 455623205 /nfs/dbraw/zinc/62/32/05/455623205.db2.gz DMKITMCPLOYSMV-CQSZACIVSA-N 2 1 330.394 3.296 20 0 EGADMP CCCC[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247937448 455657628 /nfs/dbraw/zinc/65/76/28/455657628.db2.gz CPTCKJCUPFOURV-QFBILLFUSA-N 2 1 331.504 3.052 20 0 EGADMP CCCC[C@@H](CC)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247942510 455657694 /nfs/dbraw/zinc/65/76/94/455657694.db2.gz DDBVYIOECOXSGF-WOJBJXKFSA-N 2 1 345.531 3.442 20 0 EGADMP CCOc1cc(CCC[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1OC ZINC000247991184 455666438 /nfs/dbraw/zinc/66/64/38/455666438.db2.gz JJYFMUIPQBIICR-FUHWJXTLSA-N 2 1 334.504 3.346 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc2ccccc2n1 ZINC000271518871 455669326 /nfs/dbraw/zinc/66/93/26/455669326.db2.gz PFUYDKPCARKDQX-RVHYNSKXSA-N 2 1 339.483 3.263 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000192701422 455672570 /nfs/dbraw/zinc/67/25/70/455672570.db2.gz AODASDNYPRQCNG-GOOCMWNKSA-N 2 1 338.879 3.462 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000192701422 455672578 /nfs/dbraw/zinc/67/25/78/455672578.db2.gz AODASDNYPRQCNG-GOOCMWNKSA-N 2 1 338.879 3.462 20 0 EGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000271554782 455683383 /nfs/dbraw/zinc/68/33/83/455683383.db2.gz VOOJWUSIKKGPDP-XUVXKRRUSA-N 2 1 344.499 3.176 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268892353 455720137 /nfs/dbraw/zinc/72/01/37/455720137.db2.gz PGTBBJVXYGKSSV-RBUKOAKNSA-N 2 1 345.531 3.294 20 0 EGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000268921491 455730795 /nfs/dbraw/zinc/73/07/95/455730795.db2.gz WQIXSVGTWMOLGH-FQEVSTJZSA-N 2 1 344.499 3.307 20 0 EGADMP CC[C@@H]1Oc2cc([C@H](C)[NH2+]CCCn3cc[nH+]c3C)ccc2NC1=O ZINC000271739915 455741100 /nfs/dbraw/zinc/74/11/00/455741100.db2.gz PJCNQBOSEQEMLJ-GUYCJALGSA-N 2 1 342.443 3.042 20 0 EGADMP COc1ccncc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000292779734 455755073 /nfs/dbraw/zinc/75/50/73/455755073.db2.gz TZMVWJOVBYLCJG-QFBILLFUSA-N 2 1 325.456 3.233 20 0 EGADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccsc1 ZINC000269068384 455781520 /nfs/dbraw/zinc/78/15/20/455781520.db2.gz WGRAFYAZGPVUJA-SNRMKQJTSA-N 2 1 330.497 3.282 20 0 EGADMP COc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nc1 ZINC000271854312 455787577 /nfs/dbraw/zinc/78/75/77/455787577.db2.gz XAYYNJCDCWTGPO-UHFFFAOYSA-N 2 1 339.483 3.434 20 0 EGADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[NH2+]Cc2ccccc21 ZINC000269177270 455805285 /nfs/dbraw/zinc/80/52/85/455805285.db2.gz MPIGZVJELWETTA-UHFFFAOYSA-N 2 1 335.451 3.032 20 0 EGADMP COCCSCCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000278311716 455813294 /nfs/dbraw/zinc/81/32/94/455813294.db2.gz BKHOIBUWGAJXAS-IBGZPJMESA-N 2 1 336.545 3.210 20 0 EGADMP COCCSCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278311716 455813299 /nfs/dbraw/zinc/81/32/99/455813299.db2.gz BKHOIBUWGAJXAS-IBGZPJMESA-N 2 1 336.545 3.210 20 0 EGADMP COCCSCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278311716 455813303 /nfs/dbraw/zinc/81/33/03/455813303.db2.gz BKHOIBUWGAJXAS-IBGZPJMESA-N 2 1 336.545 3.210 20 0 EGADMP CCC[NH+]1CCC(NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000186878455 455846750 /nfs/dbraw/zinc/84/67/50/455846750.db2.gz MBSZCRXELZAQRL-NRFANRHFSA-N 2 1 329.532 3.361 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000280064745 455882287 /nfs/dbraw/zinc/88/22/87/455882287.db2.gz XDYYJNNTNYJSOM-ATLSCFEFSA-N 2 1 332.488 3.412 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000280064745 455882291 /nfs/dbraw/zinc/88/22/91/455882291.db2.gz XDYYJNNTNYJSOM-ATLSCFEFSA-N 2 1 332.488 3.412 20 0 EGADMP C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272227427 455883558 /nfs/dbraw/zinc/88/35/58/455883558.db2.gz QURHTCMMOHHZEH-VCOUNFBDSA-N 2 1 338.495 3.394 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744845 455907861 /nfs/dbraw/zinc/90/78/61/455907861.db2.gz YJDHPMPJUXZBRN-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285744845 455907865 /nfs/dbraw/zinc/90/78/65/455907865.db2.gz YJDHPMPJUXZBRN-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285744845 455907870 /nfs/dbraw/zinc/90/78/70/455907870.db2.gz YJDHPMPJUXZBRN-RTWAWAEBSA-N 2 1 327.516 3.069 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000296365929 455919514 /nfs/dbraw/zinc/91/95/14/455919514.db2.gz IZTUJEVZTKWXLK-KBOHQZAKSA-N 2 1 342.483 3.383 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272380760 455932406 /nfs/dbraw/zinc/93/24/06/455932406.db2.gz WHGODXSAIBMDMA-ILZDJORESA-N 2 1 338.499 3.298 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1OC(F)F ZINC000261710796 455932750 /nfs/dbraw/zinc/93/27/50/455932750.db2.gz KXZSDTZYUSUINI-OCCSQVGLSA-N 2 1 328.403 3.246 20 0 EGADMP Cc1cccc(CC2(O)CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000280351694 455953100 /nfs/dbraw/zinc/95/31/00/455953100.db2.gz JAGOSPMZENPVDS-FQEVSTJZSA-N 2 1 330.516 3.239 20 0 EGADMP C[NH+](C)CCC1CC[NH+](Cc2cccc(Br)n2)CC1 ZINC000272464777 455960243 /nfs/dbraw/zinc/96/02/43/455960243.db2.gz ZEIIKTOOWGJKHV-UHFFFAOYSA-N 2 1 326.282 3.008 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1)c1ccc2ccccc2c1 ZINC000261865800 455961421 /nfs/dbraw/zinc/96/14/21/455961421.db2.gz SPDORZKVKHZFHB-CKJXQJPGSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccc2ccccc2c1 ZINC000261865800 455961425 /nfs/dbraw/zinc/96/14/25/455961425.db2.gz SPDORZKVKHZFHB-CKJXQJPGSA-N 2 1 339.483 3.076 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261928245 455973695 /nfs/dbraw/zinc/97/36/95/455973695.db2.gz ZOKIVUCRBSGCDJ-LJQANCHMSA-N 2 1 346.906 3.372 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261928245 455973700 /nfs/dbraw/zinc/97/37/00/455973700.db2.gz ZOKIVUCRBSGCDJ-LJQANCHMSA-N 2 1 346.906 3.372 20 0 EGADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000272511294 455976316 /nfs/dbraw/zinc/97/63/16/455976316.db2.gz GJHKSPZNIVITEO-PCCBWWKXSA-N 3 1 341.543 3.219 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000272514315 455978416 /nfs/dbraw/zinc/97/84/16/455978416.db2.gz GTAKECQCVSUDDD-AZUAARDMSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000272514315 455978421 /nfs/dbraw/zinc/97/84/21/455978421.db2.gz GTAKECQCVSUDDD-AZUAARDMSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)cc2)C1 ZINC000261966536 455978691 /nfs/dbraw/zinc/97/86/91/455978691.db2.gz SVDOEJLVXMIFKS-QFBILLFUSA-N 2 1 341.499 3.247 20 0 EGADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270545524 455979936 /nfs/dbraw/zinc/97/99/36/455979936.db2.gz YCYCDGGIJSUNKD-OAHLLOKOSA-N 2 1 346.906 3.390 20 0 EGADMP C[C@H](CO[C@H]1CCOC1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286188338 455996185 /nfs/dbraw/zinc/99/61/85/455996185.db2.gz RDIWCWCRVMYLSC-GHOZHQTGSA-N 2 1 346.515 3.213 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000272571723 455997838 /nfs/dbraw/zinc/99/78/38/455997838.db2.gz FTLNFNPYEHLQLG-QUCCMNQESA-N 2 1 343.515 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000272571723 455997841 /nfs/dbraw/zinc/99/78/41/455997841.db2.gz FTLNFNPYEHLQLG-QUCCMNQESA-N 2 1 343.515 3.085 20 0 EGADMP Cc1ncsc1CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280573602 456002650 /nfs/dbraw/zinc/00/26/50/456002650.db2.gz VRGJHTMYEUNKFR-HDICACEKSA-N 2 1 327.497 3.058 20 0 EGADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280573602 456002653 /nfs/dbraw/zinc/00/26/53/456002653.db2.gz VRGJHTMYEUNKFR-HDICACEKSA-N 2 1 327.497 3.058 20 0 EGADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280573602 456002655 /nfs/dbraw/zinc/00/26/55/456002655.db2.gz VRGJHTMYEUNKFR-HDICACEKSA-N 2 1 327.497 3.058 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000262303062 456022952 /nfs/dbraw/zinc/02/29/52/456022952.db2.gz QUFCQZJSJOAQOL-BPQIPLTHSA-N 2 1 329.488 3.375 20 0 EGADMP C[N@@H+](CCC[NH2+]C1CCN(c2nccs2)CC1)Cc1ccccc1 ZINC000272755298 456061653 /nfs/dbraw/zinc/06/16/53/456061653.db2.gz UKBRLYJUEGABBT-UHFFFAOYSA-N 2 1 344.528 3.224 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000270938918 456070948 /nfs/dbraw/zinc/07/09/48/456070948.db2.gz YCEWYMTZXXRJQH-UHFFFAOYSA-N 2 1 327.428 3.022 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@H](O)c1c(F)cccc1F ZINC000272814601 456078666 /nfs/dbraw/zinc/07/86/66/456078666.db2.gz BGGBIQBTNZOAFB-WMZOPIPTSA-N 2 1 326.431 3.239 20 0 EGADMP C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272880094 456099107 /nfs/dbraw/zinc/09/91/07/456099107.db2.gz XQZZYPRNQXOZEP-SJLPKXTDSA-N 2 1 332.488 3.218 20 0 EGADMP Cn1cc(CCC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000281031528 456114576 /nfs/dbraw/zinc/11/45/76/456114576.db2.gz PEVIAFICPQVNJV-UHFFFAOYSA-N 2 1 340.515 3.386 20 0 EGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cscn1 ZINC000271064099 456117096 /nfs/dbraw/zinc/11/70/96/456117096.db2.gz CRNHGYWYYDFPPW-APWZRJJASA-N 2 1 344.528 3.173 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1)C(C)C ZINC000272990484 456136217 /nfs/dbraw/zinc/13/62/17/456136217.db2.gz KPTSRGUSDYTTQT-HXUWFJFHSA-N 2 1 331.504 3.036 20 0 EGADMP C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1=CC[N@@H+](C)CC1 ZINC000272988843 456136324 /nfs/dbraw/zinc/13/63/24/456136324.db2.gz PTQZIFHORLDSRJ-KRWDZBQOSA-N 2 1 341.499 3.053 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236708596 456173426 /nfs/dbraw/zinc/17/34/26/456173426.db2.gz FKSVUTXXQHVAHH-HXUWFJFHSA-N 2 1 345.531 3.437 20 0 EGADMP CCOc1cc(C[NH2+][C@H](C)CC[NH+](C)C)ccc1OCC(F)(F)F ZINC000263690656 456193624 /nfs/dbraw/zinc/19/36/24/456193624.db2.gz OSMOFSFSCTWHDQ-CYBMUJFWSA-N 2 1 348.409 3.456 20 0 EGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1([NH3+])CCCCC1 ZINC000236894587 456199684 /nfs/dbraw/zinc/19/96/84/456199684.db2.gz AHFCPSRBMNKKHU-LJQANCHMSA-N 2 1 343.515 3.019 20 0 EGADMP CCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000236966699 456210135 /nfs/dbraw/zinc/21/01/35/456210135.db2.gz ASTNTJWFOJXBBY-LJQANCHMSA-N 2 1 331.504 3.195 20 0 EGADMP COc1cncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000290018538 456218405 /nfs/dbraw/zinc/21/84/05/456218405.db2.gz SPZASEYKCOQXIV-JXFKEZNVSA-N 2 1 325.456 3.090 20 0 EGADMP COc1cncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000290018538 456218411 /nfs/dbraw/zinc/21/84/11/456218411.db2.gz SPZASEYKCOQXIV-JXFKEZNVSA-N 2 1 325.456 3.090 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1nc(-c3ccc(Cl)cc3)no1)CC[NH2+]CC2 ZINC000333579158 456237500 /nfs/dbraw/zinc/23/75/00/456237500.db2.gz NQAIPUREYCOJRN-CYBMUJFWSA-N 2 1 346.862 3.354 20 0 EGADMP COc1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1OC(F)F ZINC000237205533 456247803 /nfs/dbraw/zinc/24/78/03/456247803.db2.gz WUGXBCUFOPSZJH-GFCCVEGCSA-N 2 1 339.386 3.227 20 0 EGADMP CC(C)c1nccc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)n1 ZINC000302053302 456276152 /nfs/dbraw/zinc/27/61/52/456276152.db2.gz PGFNILFSQNLKHI-GOSISDBHSA-N 2 1 340.471 3.169 20 0 EGADMP CC(C)(C)OC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000342871978 456286845 /nfs/dbraw/zinc/28/68/45/456286845.db2.gz ANWLXBWQJDEPJA-UHFFFAOYSA-N 2 1 344.499 3.316 20 0 EGADMP CC(C)(C)OC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342871978 456286853 /nfs/dbraw/zinc/28/68/53/456286853.db2.gz ANWLXBWQJDEPJA-UHFFFAOYSA-N 2 1 344.499 3.316 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ncc(CN(C)C)s2)C1 ZINC000352767757 456288612 /nfs/dbraw/zinc/28/86/12/456288612.db2.gz CZFVKVLUDVUHAK-IYBDPMFKSA-N 2 1 338.565 3.052 20 0 EGADMP CN(CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)CC(F)(F)F ZINC000340184003 456297369 /nfs/dbraw/zinc/29/73/69/456297369.db2.gz OQSBRPDDRZNKOA-SJORKVTESA-N 2 1 343.437 3.296 20 0 EGADMP CN(CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)CC(F)(F)F ZINC000340184003 456297372 /nfs/dbraw/zinc/29/73/72/456297372.db2.gz OQSBRPDDRZNKOA-SJORKVTESA-N 2 1 343.437 3.296 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC(OC(C)(C)C)C2)[C@H](C)C1 ZINC000352782329 456301614 /nfs/dbraw/zinc/30/16/14/456301614.db2.gz HFWWVZVMNXYTTA-AQEOSJORSA-N 2 1 326.525 3.059 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(-c2cccs2)n1 ZINC000342902706 456303955 /nfs/dbraw/zinc/30/39/55/456303955.db2.gz PFHQMGHTULIHKI-INIZCTEOSA-N 2 1 344.528 3.312 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(-c2cccs2)n1 ZINC000342902706 456303962 /nfs/dbraw/zinc/30/39/62/456303962.db2.gz PFHQMGHTULIHKI-INIZCTEOSA-N 2 1 344.528 3.312 20 0 EGADMP Cn1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(-c2cccs2)n1 ZINC000342902706 456303972 /nfs/dbraw/zinc/30/39/72/456303972.db2.gz PFHQMGHTULIHKI-INIZCTEOSA-N 2 1 344.528 3.312 20 0 EGADMP Cn1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(-c2cccs2)n1 ZINC000342902706 456303978 /nfs/dbraw/zinc/30/39/78/456303978.db2.gz PFHQMGHTULIHKI-INIZCTEOSA-N 2 1 344.528 3.312 20 0 EGADMP CC(C)[NH+](CCCNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)C(C)C ZINC000347685678 456305705 /nfs/dbraw/zinc/30/57/05/456305705.db2.gz HRTFICPJASGILO-ROUUACIJSA-N 2 1 340.556 3.057 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CCn2cnc3ccccc32)C[C@H]1c1ccccc1 ZINC000340194247 456305983 /nfs/dbraw/zinc/30/59/83/456305983.db2.gz HWUOCLLVRZUTDZ-NQIIRXRSSA-N 2 1 334.467 3.461 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CCn2cnc3ccccc32)C[C@H]1c1ccccc1 ZINC000340194247 456305985 /nfs/dbraw/zinc/30/59/85/456305985.db2.gz HWUOCLLVRZUTDZ-NQIIRXRSSA-N 2 1 334.467 3.461 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000290440839 456328496 /nfs/dbraw/zinc/32/84/96/456328496.db2.gz LVFKNWDYKGFRCI-FUHWJXTLSA-N 2 1 330.472 3.248 20 0 EGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000290440839 456328504 /nfs/dbraw/zinc/32/85/04/456328504.db2.gz LVFKNWDYKGFRCI-FUHWJXTLSA-N 2 1 330.472 3.248 20 0 EGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000290440839 456328511 /nfs/dbraw/zinc/32/85/11/456328511.db2.gz LVFKNWDYKGFRCI-FUHWJXTLSA-N 2 1 330.472 3.248 20 0 EGADMP CN(Cc1ccnc(N)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000298073504 456358236 /nfs/dbraw/zinc/35/82/36/456358236.db2.gz JRRNYHUSLBIRAN-GDBMZVCRSA-N 2 1 338.238 3.061 20 0 EGADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340316742 456383645 /nfs/dbraw/zinc/38/36/45/456383645.db2.gz IKVFMHODLKVFEF-TZIWHRDSSA-N 2 1 340.515 3.395 20 0 EGADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340316742 456383651 /nfs/dbraw/zinc/38/36/51/456383651.db2.gz IKVFMHODLKVFEF-TZIWHRDSSA-N 2 1 340.515 3.395 20 0 EGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC000340333498 456394183 /nfs/dbraw/zinc/39/41/83/456394183.db2.gz AZWQBLUOGQXMFG-UHFFFAOYSA-N 2 1 325.456 3.127 20 0 EGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000340333498 456394191 /nfs/dbraw/zinc/39/41/91/456394191.db2.gz AZWQBLUOGQXMFG-UHFFFAOYSA-N 2 1 325.456 3.127 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340378672 456425205 /nfs/dbraw/zinc/42/52/05/456425205.db2.gz FRWRTSMBAPMTDM-HCXYKTFWSA-N 2 1 330.472 3.143 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340378672 456425210 /nfs/dbraw/zinc/42/52/10/456425210.db2.gz FRWRTSMBAPMTDM-HCXYKTFWSA-N 2 1 330.472 3.143 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC(F)F ZINC000337653132 456458730 /nfs/dbraw/zinc/45/87/30/456458730.db2.gz LOAGMYSCWDMVTE-GJZGRUSLSA-N 2 1 340.414 3.403 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC(F)F ZINC000337653132 456458737 /nfs/dbraw/zinc/45/87/37/456458737.db2.gz LOAGMYSCWDMVTE-GJZGRUSLSA-N 2 1 340.414 3.403 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340455059 456469116 /nfs/dbraw/zinc/46/91/16/456469116.db2.gz QSADBAQOOGGQFX-USXIJHARSA-N 2 1 328.435 3.289 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282339298 456482583 /nfs/dbraw/zinc/48/25/83/456482583.db2.gz VTYUSQMUOJPWLD-OAHLLOKOSA-N 2 1 332.517 3.359 20 0 EGADMP Cc1ccccc1C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCOCC1 ZINC000298549950 456488359 /nfs/dbraw/zinc/48/83/59/456488359.db2.gz UOQPESKVKAJSCV-UHFFFAOYSA-N 2 1 328.500 3.260 20 0 EGADMP CCOC(CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OCC ZINC000276530610 456507807 /nfs/dbraw/zinc/50/78/07/456507807.db2.gz NPLXJLSCXUPTKZ-IEBWSBKVSA-N 2 1 334.504 3.418 20 0 EGADMP CCOC(CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OCC ZINC000276530610 456507813 /nfs/dbraw/zinc/50/78/13/456507813.db2.gz NPLXJLSCXUPTKZ-IEBWSBKVSA-N 2 1 334.504 3.418 20 0 EGADMP C[N@H+]1CCC[C@H]1CCN1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187926 456524139 /nfs/dbraw/zinc/52/41/39/456524139.db2.gz QJUKWVSUVJPKRZ-VXKWHMMOSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC[C@H]1CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000348187926 456524145 /nfs/dbraw/zinc/52/41/45/456524145.db2.gz QJUKWVSUVJPKRZ-VXKWHMMOSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC[C@H]1CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000348187926 456524152 /nfs/dbraw/zinc/52/41/52/456524152.db2.gz QJUKWVSUVJPKRZ-VXKWHMMOSA-N 2 1 341.543 3.459 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000282493736 456531946 /nfs/dbraw/zinc/53/19/46/456531946.db2.gz WDIPMOJUTCOWNU-UHFFFAOYSA-N 2 1 330.303 3.109 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CCO)C2CCOCC2)cc1 ZINC000348232266 456553930 /nfs/dbraw/zinc/55/39/30/456553930.db2.gz QRGHFEHTQMVHQE-YWZLYKJASA-N 2 1 343.471 3.009 20 0 EGADMP CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000348232250 456555099 /nfs/dbraw/zinc/55/50/99/456555099.db2.gz QPSJAWZKQSTHCV-GDIGMMSISA-N 2 1 329.444 3.025 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000310868249 456586427 /nfs/dbraw/zinc/58/64/27/456586427.db2.gz YNECAMIORQELIC-MAUKXSAKSA-N 2 1 347.503 3.284 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291280560 456588740 /nfs/dbraw/zinc/58/87/40/456588740.db2.gz YROQLEMGBXHMOY-XJKSGUPXSA-N 2 1 330.394 3.012 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291280560 456588743 /nfs/dbraw/zinc/58/87/43/456588743.db2.gz YROQLEMGBXHMOY-XJKSGUPXSA-N 2 1 330.394 3.012 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291280560 456588750 /nfs/dbraw/zinc/58/87/50/456588750.db2.gz YROQLEMGBXHMOY-XJKSGUPXSA-N 2 1 330.394 3.012 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291280560 456588756 /nfs/dbraw/zinc/58/87/56/456588756.db2.gz YROQLEMGBXHMOY-XJKSGUPXSA-N 2 1 330.394 3.012 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000276948926 456628810 /nfs/dbraw/zinc/62/88/10/456628810.db2.gz DMTRRHACDPFHGR-IRXDYDNUSA-N 2 1 337.826 3.494 20 0 EGADMP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000299182479 456629326 /nfs/dbraw/zinc/62/93/26/456629326.db2.gz ZJEKBAWGHMUADD-IAGOWNOFSA-N 2 1 329.488 3.258 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]C2CC(c3ccccc3Cl)C2)CC1(C)C ZINC000353327643 456641067 /nfs/dbraw/zinc/64/10/67/456641067.db2.gz DUQXICWHQFQSFY-UHFFFAOYSA-N 2 1 335.923 3.202 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3CCCF)cc2)CC1 ZINC000337993694 456643640 /nfs/dbraw/zinc/64/36/40/456643640.db2.gz SPCOEKDYQBREOT-LEWJYISDSA-N 2 1 347.522 3.442 20 0 EGADMP Cc1ccccc1-c1nc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000291504389 456662855 /nfs/dbraw/zinc/66/28/55/456662855.db2.gz VYQNZKTYVACPEB-UHFFFAOYSA-N 2 1 349.438 3.199 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000338106965 456663035 /nfs/dbraw/zinc/66/30/35/456663035.db2.gz ZFUPCMPANSJLLF-AZUAARDMSA-N 2 1 341.499 3.028 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000338106965 456663042 /nfs/dbraw/zinc/66/30/42/456663042.db2.gz ZFUPCMPANSJLLF-AZUAARDMSA-N 2 1 341.499 3.028 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000338106965 456663052 /nfs/dbraw/zinc/66/30/52/456663052.db2.gz ZFUPCMPANSJLLF-AZUAARDMSA-N 2 1 341.499 3.028 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000343570405 456713603 /nfs/dbraw/zinc/71/36/03/456713603.db2.gz MSCLOAZYLRDOIQ-FQEVSTJZSA-N 2 1 343.515 3.275 20 0 EGADMP CCC[NH+]1CCC[C@H]1CNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000343570405 456713612 /nfs/dbraw/zinc/71/36/12/456713612.db2.gz MSCLOAZYLRDOIQ-FQEVSTJZSA-N 2 1 343.515 3.275 20 0 EGADMP CCC[NH+]1CCC[C@H]1CNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000343570405 456713618 /nfs/dbraw/zinc/71/36/18/456713618.db2.gz MSCLOAZYLRDOIQ-FQEVSTJZSA-N 2 1 343.515 3.275 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000343581303 456721636 /nfs/dbraw/zinc/72/16/36/456721636.db2.gz XFNIDMHQIRRJJI-LJQANCHMSA-N 2 1 331.504 3.133 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)cc2)n1 ZINC000277254942 456747387 /nfs/dbraw/zinc/74/73/87/456747387.db2.gz QNYBHEWVYBIOED-IBGZPJMESA-N 2 1 326.488 3.405 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338434584 456817693 /nfs/dbraw/zinc/81/76/93/456817693.db2.gz JDAMESZXMZHONQ-KRWDZBQOSA-N 2 1 326.488 3.217 20 0 EGADMP Cc1cnc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000353643368 456824127 /nfs/dbraw/zinc/82/41/27/456824127.db2.gz KKUYUWSAWSVUFP-UHFFFAOYSA-N 2 1 336.483 3.273 20 0 EGADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338627101 456845995 /nfs/dbraw/zinc/84/59/95/456845995.db2.gz LRYMQASHWOLGEQ-LJQANCHMSA-N 2 1 343.515 3.133 20 0 EGADMP c1cc2c(cc1C[NH2+]C1CC[NH+](C3CCCCC3)CC1)OCCO2 ZINC000344824508 456864292 /nfs/dbraw/zinc/86/42/92/456864292.db2.gz MLJJURSRXHZOCC-UHFFFAOYSA-N 2 1 330.472 3.345 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC000353933576 456970737 /nfs/dbraw/zinc/97/07/37/456970737.db2.gz QACOABUBHTUKMU-WDSOQIARSA-N 2 1 332.488 3.076 20 0 EGADMP CCc1nocc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000339194615 456986358 /nfs/dbraw/zinc/98/63/58/456986358.db2.gz GLBWGLMWOUJJFA-IYBDPMFKSA-N 2 1 343.471 3.136 20 0 EGADMP CC[C@H](C(=O)NCCC1CC[NH+](CC)CC1)[N@@H+](C)Cc1ccccc1 ZINC000339288040 457043572 /nfs/dbraw/zinc/04/35/72/457043572.db2.gz UECFHCGRYLMFNP-HXUWFJFHSA-N 2 1 345.531 3.135 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CC(C)C)C12CCOCC2 ZINC000346614242 457079575 /nfs/dbraw/zinc/07/95/75/457079575.db2.gz NEFDWGDONHGKIP-GBESFXJTSA-N 2 1 338.536 3.061 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CC(C)C)C12CCOCC2 ZINC000346614242 457079579 /nfs/dbraw/zinc/07/95/79/457079579.db2.gz NEFDWGDONHGKIP-GBESFXJTSA-N 2 1 338.536 3.061 20 0 EGADMP C[C@H](C(=O)NCc1cccc(-c2ncc[nH]2)c1)N(C)Cc1ccccc1 ZINC000342074931 457093555 /nfs/dbraw/zinc/09/35/55/457093555.db2.gz WVBPKARPQFRFEZ-MRXNPFEDSA-N 2 1 348.450 3.213 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342128104 457124208 /nfs/dbraw/zinc/12/42/08/457124208.db2.gz FZMITGQUNOTHMI-JQHSSLGASA-N 2 1 329.488 3.116 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342128104 457124211 /nfs/dbraw/zinc/12/42/11/457124211.db2.gz FZMITGQUNOTHMI-JQHSSLGASA-N 2 1 329.488 3.116 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)C[NH+](C)C(C)C)cc1 ZINC000356747766 457148102 /nfs/dbraw/zinc/14/81/02/457148102.db2.gz UJRJQTTTWXIMBS-QGZVFWFLSA-N 2 1 333.520 3.377 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000356747766 457148107 /nfs/dbraw/zinc/14/81/07/457148107.db2.gz UJRJQTTTWXIMBS-QGZVFWFLSA-N 2 1 333.520 3.377 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000356747766 457148111 /nfs/dbraw/zinc/14/81/11/457148111.db2.gz UJRJQTTTWXIMBS-QGZVFWFLSA-N 2 1 333.520 3.377 20 0 EGADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)n1 ZINC000359928253 457152207 /nfs/dbraw/zinc/15/22/07/457152207.db2.gz ZZVQGVMNWAOCBT-APWZRJJASA-N 2 1 326.488 3.104 20 0 EGADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)n1 ZINC000359928256 457153163 /nfs/dbraw/zinc/15/31/63/457153163.db2.gz ZZVQGVMNWAOCBT-VQIMIIECSA-N 2 1 326.488 3.104 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc3ccc(F)cc3[nH]2)C[C@H](C)O1 ZINC000362922834 457157319 /nfs/dbraw/zinc/15/73/19/457157319.db2.gz GRURERGKWMQZLC-GASCZTMLSA-N 2 1 333.451 3.286 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000354382108 457189629 /nfs/dbraw/zinc/18/96/29/457189629.db2.gz CNSIKYZTPBMERM-QUCCMNQESA-N 2 1 345.531 3.276 20 0 EGADMP Cc1nc(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(C)o1 ZINC000356878338 457193106 /nfs/dbraw/zinc/19/31/06/457193106.db2.gz SRRPTAHGTJLCMY-QKNQBKEWSA-N 2 1 339.483 3.334 20 0 EGADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000356906517 457211035 /nfs/dbraw/zinc/21/10/35/457211035.db2.gz VZRGXIFKDKKBEO-MHTWAQMVSA-N 2 1 342.527 3.284 20 0 EGADMP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)c1ccccc1Br ZINC000360044395 457222136 /nfs/dbraw/zinc/22/21/36/457222136.db2.gz DWDFJXDPTOTMFF-MRXNPFEDSA-N 2 1 343.309 3.458 20 0 EGADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccccc1Br ZINC000360044395 457222141 /nfs/dbraw/zinc/22/21/41/457222141.db2.gz DWDFJXDPTOTMFF-MRXNPFEDSA-N 2 1 343.309 3.458 20 0 EGADMP Fc1ccc2c(NCC3([NH+]4CCCC4)CCOCC3)cc[nH+]c2c1 ZINC000354643629 457293682 /nfs/dbraw/zinc/29/36/82/457293682.db2.gz FNUOYYILWNOLHN-UHFFFAOYSA-N 2 1 329.419 3.431 20 0 EGADMP C[C@@H](CC[NH2+]Cc1ccnn1-c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000354673496 457308374 /nfs/dbraw/zinc/30/83/74/457308374.db2.gz XVMIHVVSMJPDMV-INIZCTEOSA-N 2 1 330.451 3.366 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)N2CCCCC2)CC1)CC1CC1 ZINC000357074157 457308703 /nfs/dbraw/zinc/30/87/03/457308703.db2.gz GCYXGFGHWDDXGD-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(CNc3cc[nH+]c4ccccc34)c2)CCO1 ZINC000357183118 457363337 /nfs/dbraw/zinc/36/33/37/457363337.db2.gz CULLLEXULBSZIW-QGZVFWFLSA-N 2 1 347.462 3.490 20 0 EGADMP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352488689 457408842 /nfs/dbraw/zinc/40/88/42/457408842.db2.gz SUFALNVSJIATOE-SFHVURJKSA-N 2 1 331.504 3.017 20 0 EGADMP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352488689 457408850 /nfs/dbraw/zinc/40/88/50/457408850.db2.gz SUFALNVSJIATOE-SFHVURJKSA-N 2 1 331.504 3.017 20 0 EGADMP COc1cc2c(cc1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1)O[C@@H](C)C2 ZINC000378955309 457415305 /nfs/dbraw/zinc/41/53/05/457415305.db2.gz SMFXLMSWLZUUPH-CVEARBPZSA-N 2 1 332.488 3.230 20 0 EGADMP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000390809072 457441468 /nfs/dbraw/zinc/44/14/68/457441468.db2.gz PRMZYNFNEJGZJX-JKSUJKDBSA-N 2 1 327.513 3.001 20 0 EGADMP COc1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)cc(OC)c1OC ZINC000352540735 457451123 /nfs/dbraw/zinc/45/11/23/457451123.db2.gz OTIBQRZZEZQOPL-UHFFFAOYSA-N 2 1 336.476 3.053 20 0 EGADMP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000360970113 457476537 /nfs/dbraw/zinc/47/65/37/457476537.db2.gz XWGCTVCXIOEGQG-GFCCVEGCSA-N 2 1 335.835 3.057 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1OC(F)F ZINC000397287895 457485633 /nfs/dbraw/zinc/48/56/33/457485633.db2.gz VKYXCQFGGCRDRD-YDHLFZDLSA-N 2 1 342.430 3.492 20 0 EGADMP Cc1ccc(C)c(OC2CC[NH+](Cc3cnc(N(C)C)n3C)CC2)c1 ZINC000425319634 457495210 /nfs/dbraw/zinc/49/52/10/457495210.db2.gz BFEBOZKPSJJGQF-UHFFFAOYSA-N 2 1 342.487 3.146 20 0 EGADMP c1cn2c([nH+]1)CC[C@H](c1nc(-c3cccc(C[NH+]4CCCC4)c3)no1)C2 ZINC000370021096 457506924 /nfs/dbraw/zinc/50/69/24/457506924.db2.gz PNTOBRJTQUAPSQ-KRWDZBQOSA-N 2 1 349.438 3.259 20 0 EGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(C)CCCC1 ZINC000364181702 457515106 /nfs/dbraw/zinc/51/51/06/457515106.db2.gz OKEILYNDBQBZJX-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP COc1ccc(C[N@H+](CCCn2cc[nH+]c2C)[C@@H](CO)C(C)C)cc1 ZINC000352702488 457543708 /nfs/dbraw/zinc/54/37/08/457543708.db2.gz XSCQDFINCDGHKV-FQEVSTJZSA-N 2 1 345.487 3.109 20 0 EGADMP COc1ccc(C[N@@H+](CCCn2cc[nH+]c2C)[C@@H](CO)C(C)C)cc1 ZINC000352702488 457543715 /nfs/dbraw/zinc/54/37/15/457543715.db2.gz XSCQDFINCDGHKV-FQEVSTJZSA-N 2 1 345.487 3.109 20 0 EGADMP Fc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1-c1cccs1 ZINC000352725367 457562366 /nfs/dbraw/zinc/56/23/66/457562366.db2.gz YNYZHLAJVREJIG-INIZCTEOSA-N 2 1 345.487 3.034 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2ccsc2S1 ZINC000361183374 457633905 /nfs/dbraw/zinc/63/39/05/457633905.db2.gz UESBWAFWPHIYEU-GDBMZVCRSA-N 2 1 339.574 3.291 20 0 EGADMP Fc1ccc(CC[NH+]2CCC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000370671385 457697019 /nfs/dbraw/zinc/69/70/19/457697019.db2.gz QSSVAPSOEYUCAY-LEWJYISDSA-N 2 1 345.506 3.049 20 0 EGADMP Fc1ccc(CCN2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000370671385 457697023 /nfs/dbraw/zinc/69/70/23/457697023.db2.gz QSSVAPSOEYUCAY-LEWJYISDSA-N 2 1 345.506 3.049 20 0 EGADMP Fc1ccc(CCN2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000370671385 457697026 /nfs/dbraw/zinc/69/70/26/457697026.db2.gz QSSVAPSOEYUCAY-LEWJYISDSA-N 2 1 345.506 3.049 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H]3CS[C@H](C(C)C)C3)CC2)nc(C)[nH+]1 ZINC000364846487 457704060 /nfs/dbraw/zinc/70/40/60/457704060.db2.gz HWOLHOJMSZNWAQ-IRXDYDNUSA-N 2 1 334.533 3.182 20 0 EGADMP FC(F)CN1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000361443209 457733510 /nfs/dbraw/zinc/73/35/10/457733510.db2.gz QDVAEIHEFFOOAW-KRWDZBQOSA-N 2 1 329.479 3.103 20 0 EGADMP FC(F)CN1CCC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000361443209 457733512 /nfs/dbraw/zinc/73/35/12/457733512.db2.gz QDVAEIHEFFOOAW-KRWDZBQOSA-N 2 1 329.479 3.103 20 0 EGADMP COC[C@@H](CC(C)C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358027189 457744036 /nfs/dbraw/zinc/74/40/36/457744036.db2.gz WMMGEATUPWMXSO-LVCYWYKZSA-N 2 1 348.531 3.447 20 0 EGADMP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000358039244 457747129 /nfs/dbraw/zinc/74/71/29/457747129.db2.gz URYDCCCLPVQRAB-MRXNPFEDSA-N 2 1 346.814 3.175 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCOCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000358089758 457780972 /nfs/dbraw/zinc/78/09/72/457780972.db2.gz SEMIWVBRLHSBNI-GDBMZVCRSA-N 2 1 330.394 3.208 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCOCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000358089758 457780975 /nfs/dbraw/zinc/78/09/75/457780975.db2.gz SEMIWVBRLHSBNI-GDBMZVCRSA-N 2 1 330.394 3.208 20 0 EGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)cc1O ZINC000426395256 457821552 /nfs/dbraw/zinc/82/15/52/457821552.db2.gz MDXRNBYQSXXUMK-AEFFLSMTSA-N 2 1 334.504 3.432 20 0 EGADMP CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411212581 457831621 /nfs/dbraw/zinc/83/16/21/457831621.db2.gz KWRQTZUYXDQOPU-UHFFFAOYSA-N 2 1 326.488 3.428 20 0 EGADMP CC(C)[NH+](CCCNC1CC[NH+](Cc2ccccn2)CC1)C(C)C ZINC000361806233 457873296 /nfs/dbraw/zinc/87/32/96/457873296.db2.gz GBUZSGYUHKJONW-UHFFFAOYSA-N 2 1 332.536 3.145 20 0 EGADMP COC(=O)c1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000411520506 457909207 /nfs/dbraw/zinc/90/92/07/457909207.db2.gz WCFCYIWRMVTTOH-UKRRQHHQSA-N 2 1 336.501 3.277 20 0 EGADMP COC(=O)c1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC000411520506 457909215 /nfs/dbraw/zinc/90/92/15/457909215.db2.gz WCFCYIWRMVTTOH-UKRRQHHQSA-N 2 1 336.501 3.277 20 0 EGADMP COC(=O)c1cc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000411520505 457909886 /nfs/dbraw/zinc/90/98/86/457909886.db2.gz WCFCYIWRMVTTOH-HIFRSBDPSA-N 2 1 336.501 3.277 20 0 EGADMP COC(=O)c1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC000411520505 457909888 /nfs/dbraw/zinc/90/98/88/457909888.db2.gz WCFCYIWRMVTTOH-HIFRSBDPSA-N 2 1 336.501 3.277 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCO[C@@H]1CCCCO1 ZINC000366982853 457917145 /nfs/dbraw/zinc/91/71/45/457917145.db2.gz PKRKDYIQEWRVIW-HMXCVIKNSA-N 2 1 346.515 3.420 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCO[C@@H]1CCCCO1 ZINC000366982853 457917147 /nfs/dbraw/zinc/91/71/47/457917147.db2.gz PKRKDYIQEWRVIW-HMXCVIKNSA-N 2 1 346.515 3.420 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1C ZINC000411620660 457930236 /nfs/dbraw/zinc/93/02/36/457930236.db2.gz QGGRHRKEXJCFEY-APWZRJJASA-N 2 1 330.472 3.056 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)cs1 ZINC000427124033 457946500 /nfs/dbraw/zinc/94/65/00/457946500.db2.gz NDANBNDNVOZXAM-APWZRJJASA-N 2 1 343.496 3.214 20 0 EGADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)cs1 ZINC000427124033 457946511 /nfs/dbraw/zinc/94/65/11/457946511.db2.gz NDANBNDNVOZXAM-APWZRJJASA-N 2 1 343.496 3.214 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(OC)c2)[C@H](C)C1 ZINC000358343747 457947051 /nfs/dbraw/zinc/94/70/51/457947051.db2.gz UFTNQOWMRCRXMZ-XLIONFOSSA-N 2 1 334.504 3.230 20 0 EGADMP c1cc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)ccc1C[NH+]1CCCCC1 ZINC000411717939 457960397 /nfs/dbraw/zinc/96/03/97/457960397.db2.gz JRURIVNKUWPPTO-NHCUHLMSSA-N 2 1 344.499 3.052 20 0 EGADMP c1cc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)ccc1C[NH+]1CCCCC1 ZINC000411717939 457960403 /nfs/dbraw/zinc/96/04/03/457960403.db2.gz JRURIVNKUWPPTO-NHCUHLMSSA-N 2 1 344.499 3.052 20 0 EGADMP Cc1cnn(C)c1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000375738536 458044105 /nfs/dbraw/zinc/04/41/05/458044105.db2.gz PCHQHCQWYRBSID-SLFFLAALSA-N 2 1 338.499 3.119 20 0 EGADMP c1ccc(C(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2ccccc2)cc1 ZINC000428030020 458067695 /nfs/dbraw/zinc/06/76/95/458067695.db2.gz HARUPTLNZHKMJL-RTWAWAEBSA-N 2 1 336.479 3.476 20 0 EGADMP c1ccc(C(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2ccccc2)cc1 ZINC000428030020 458067701 /nfs/dbraw/zinc/06/77/01/458067701.db2.gz HARUPTLNZHKMJL-RTWAWAEBSA-N 2 1 336.479 3.476 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)CCC2)c1 ZINC000428038994 458071175 /nfs/dbraw/zinc/07/11/75/458071175.db2.gz BFWWJMMDGMRBQB-UYAOXDASSA-N 2 1 344.499 3.066 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OCc3csc(C)n3)cc2)C1 ZINC000435375858 458125816 /nfs/dbraw/zinc/12/58/16/458125816.db2.gz OLKIVLBKEVNIRV-QGZVFWFLSA-N 2 1 345.512 3.462 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OCc3csc(C)n3)cc2)C1 ZINC000435375858 458125821 /nfs/dbraw/zinc/12/58/21/458125821.db2.gz OLKIVLBKEVNIRV-QGZVFWFLSA-N 2 1 345.512 3.462 20 0 EGADMP COc1c(Br)cccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435377756 458125950 /nfs/dbraw/zinc/12/59/50/458125950.db2.gz AOSVDZHCFQZSTO-PBWFPOADSA-N 2 1 339.277 3.173 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000435377107 458127128 /nfs/dbraw/zinc/12/71/28/458127128.db2.gz YBSJUCKLSQYSIH-IBGZPJMESA-N 2 1 340.467 3.316 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000435377107 458127132 /nfs/dbraw/zinc/12/71/32/458127132.db2.gz YBSJUCKLSQYSIH-IBGZPJMESA-N 2 1 340.467 3.316 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000435379873 458128597 /nfs/dbraw/zinc/12/85/97/458128597.db2.gz KWQZBFRXPMHMRD-YLJYHZDGSA-N 2 1 339.483 3.447 20 0 EGADMP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000435385940 458132206 /nfs/dbraw/zinc/13/22/06/458132206.db2.gz UHUNDPAHABHDEH-LJQANCHMSA-N 2 1 340.467 3.445 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000435385940 458132211 /nfs/dbraw/zinc/13/22/11/458132211.db2.gz UHUNDPAHABHDEH-LJQANCHMSA-N 2 1 340.467 3.445 20 0 EGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435398248 458137605 /nfs/dbraw/zinc/13/76/05/458137605.db2.gz NOZGUYSTOOBKMI-QGZVFWFLSA-N 2 1 347.466 3.105 20 0 EGADMP Cc1cccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1C ZINC000428424745 458139540 /nfs/dbraw/zinc/13/95/40/458139540.db2.gz SIIJNRZGWNVABX-QFIPXVFZSA-N 2 1 338.495 3.372 20 0 EGADMP Cc1cccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1C ZINC000428424745 458139547 /nfs/dbraw/zinc/13/95/47/458139547.db2.gz SIIJNRZGWNVABX-QFIPXVFZSA-N 2 1 338.495 3.372 20 0 EGADMP Cc1cccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1C ZINC000428424745 458139554 /nfs/dbraw/zinc/13/95/54/458139554.db2.gz SIIJNRZGWNVABX-QFIPXVFZSA-N 2 1 338.495 3.372 20 0 EGADMP Cc1cccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000428424745 458139583 /nfs/dbraw/zinc/13/95/83/458139583.db2.gz SIIJNRZGWNVABX-QFIPXVFZSA-N 2 1 338.495 3.372 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC2([NH3+])CCCCC2)cc1)C1CC1 ZINC000428483551 458156183 /nfs/dbraw/zinc/15/61/83/458156183.db2.gz NJDCTFWDDNPWFX-UHFFFAOYSA-N 2 1 329.488 3.062 20 0 EGADMP Cc1ncsc1CC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435629343 458176859 /nfs/dbraw/zinc/17/68/59/458176859.db2.gz UFYONZAXWMWADT-KRWDZBQOSA-N 2 1 330.501 3.033 20 0 EGADMP C[N@@H+](CCCO[C@H]1CCCCO1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000358828788 458243966 /nfs/dbraw/zinc/24/39/66/458243966.db2.gz LIOKMSQJMLNQLX-SFTDATJTSA-N 2 1 346.515 3.374 20 0 EGADMP C[NH+](CCCO[C@H]1CCCCO1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000358828788 458243969 /nfs/dbraw/zinc/24/39/69/458243969.db2.gz LIOKMSQJMLNQLX-SFTDATJTSA-N 2 1 346.515 3.374 20 0 EGADMP C[NH+](CCCO[C@H]1CCCCO1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000358828788 458243971 /nfs/dbraw/zinc/24/39/71/458243971.db2.gz LIOKMSQJMLNQLX-SFTDATJTSA-N 2 1 346.515 3.374 20 0 EGADMP C[NH+](C)CCOc1cccc(NC(=O)c2sccc2C[NH+](C)C)c1 ZINC000446972192 458250919 /nfs/dbraw/zinc/25/09/19/458250919.db2.gz RTIDVUUBJBMOQO-UHFFFAOYSA-N 2 1 347.484 3.002 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1 ZINC000429147696 458281834 /nfs/dbraw/zinc/28/18/34/458281834.db2.gz CCCYOYSPPBKKCF-QFBILLFUSA-N 2 1 331.504 3.118 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000436282609 458283136 /nfs/dbraw/zinc/28/31/36/458283136.db2.gz HROZEBBLSGLZRC-UHFFFAOYSA-N 2 1 348.516 3.117 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459323033 458329860 /nfs/dbraw/zinc/32/98/60/458329860.db2.gz JBJKLWIKOXMRPY-CALCHBBNSA-N 2 1 343.506 3.302 20 0 EGADMP COC(=O)C(C)(C)CC[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000376567441 458339844 /nfs/dbraw/zinc/33/98/44/458339844.db2.gz WALMYHGQBMXWJS-UHFFFAOYSA-N 2 1 332.488 3.172 20 0 EGADMP COC(=O)C(C)(C)CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000376567441 458339846 /nfs/dbraw/zinc/33/98/46/458339846.db2.gz WALMYHGQBMXWJS-UHFFFAOYSA-N 2 1 332.488 3.172 20 0 EGADMP COC(=O)C(C)(C)CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000376567441 458339849 /nfs/dbraw/zinc/33/98/49/458339849.db2.gz WALMYHGQBMXWJS-UHFFFAOYSA-N 2 1 332.488 3.172 20 0 EGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459447413 458375371 /nfs/dbraw/zinc/37/53/71/458375371.db2.gz JPHROMMFRYJNEW-HXUWFJFHSA-N 3 1 330.520 3.151 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459447413 458375375 /nfs/dbraw/zinc/37/53/75/458375375.db2.gz JPHROMMFRYJNEW-HXUWFJFHSA-N 3 1 330.520 3.151 20 0 EGADMP CC1CCC(O)(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000448124391 458391737 /nfs/dbraw/zinc/39/17/37/458391737.db2.gz XNQAWWDZXNBHND-VEDCXYSMSA-N 2 1 330.516 3.382 20 0 EGADMP CC1CCC(O)(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000448124391 458391741 /nfs/dbraw/zinc/39/17/41/458391741.db2.gz XNQAWWDZXNBHND-VEDCXYSMSA-N 2 1 330.516 3.382 20 0 EGADMP CC1CCC(O)(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000448124391 458391744 /nfs/dbraw/zinc/39/17/44/458391744.db2.gz XNQAWWDZXNBHND-VEDCXYSMSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[C@@H]1CCOC1 ZINC000376835613 458402496 /nfs/dbraw/zinc/40/24/96/458402496.db2.gz DZEYOBQCTSTVFN-KTIPNOMGSA-N 2 1 328.500 3.302 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2occc2C)CC1 ZINC000430149210 458412335 /nfs/dbraw/zinc/41/23/35/458412335.db2.gz VIMUPRCRIICXCL-UHFFFAOYSA-N 2 1 327.472 3.362 20 0 EGADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423453360 458435260 /nfs/dbraw/zinc/43/52/60/458435260.db2.gz KNCIFAUKDWCSQH-GFOJFJKKSA-N 2 1 329.532 3.394 20 0 EGADMP CC[C@@H]([NH3+])C[NH2+][C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000423461551 458436266 /nfs/dbraw/zinc/43/62/66/458436266.db2.gz JUFDUWBDWJMQKZ-XLIONFOSSA-N 2 1 328.456 3.315 20 0 EGADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000423504291 458444427 /nfs/dbraw/zinc/44/44/27/458444427.db2.gz KYBDGFCQCYOHSX-QMCAAQAGSA-N 3 1 341.543 3.394 20 0 EGADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000423517109 458448724 /nfs/dbraw/zinc/44/87/24/458448724.db2.gz ULOIRBDTNZTWDT-XDWAVFMPSA-N 3 1 327.516 3.147 20 0 EGADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000423517109 458448729 /nfs/dbraw/zinc/44/87/29/458448729.db2.gz ULOIRBDTNZTWDT-XDWAVFMPSA-N 2 1 327.516 3.147 20 0 EGADMP CCOC[C@H]1CCCC[N@H+]1C[C@H](C)C[NH+]1CCCC[C@H]1COCC ZINC000459698385 458449919 /nfs/dbraw/zinc/44/99/19/458449919.db2.gz CBURQVVLMKEKQY-ACDBMABISA-N 2 1 340.552 3.405 20 0 EGADMP CCOC[C@H]1CCCC[NH+]1C[C@H](C)C[N@@H+]1CCCC[C@H]1COCC ZINC000459698385 458449922 /nfs/dbraw/zinc/44/99/22/458449922.db2.gz CBURQVVLMKEKQY-ACDBMABISA-N 2 1 340.552 3.405 20 0 EGADMP CCOC[C@H]1CCCC[NH+]1C[C@H](C)C[N@H+]1CCCC[C@H]1COCC ZINC000459698385 458449926 /nfs/dbraw/zinc/44/99/26/458449926.db2.gz CBURQVVLMKEKQY-ACDBMABISA-N 2 1 340.552 3.405 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000423534148 458453475 /nfs/dbraw/zinc/45/34/75/458453475.db2.gz VIYVHPDHNBEMKA-KBXCAEBGSA-N 2 1 332.492 3.385 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423551092 458456419 /nfs/dbraw/zinc/45/64/19/458456419.db2.gz TVCNEPSVCYVIOY-HHNWVEJHSA-N 3 1 341.543 3.407 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000459721725 458457375 /nfs/dbraw/zinc/45/73/75/458457375.db2.gz ARHLJVURHWAJLL-UYAOXDASSA-N 2 1 332.488 3.066 20 0 EGADMP C[C@@H](NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+])c1ccc2ccccc2c1 ZINC000430541489 458458241 /nfs/dbraw/zinc/45/82/41/458458241.db2.gz JBBCBUALRXFIEE-CVEARBPZSA-N 2 1 341.499 3.322 20 0 EGADMP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+])c1ccc2ccccc2c1 ZINC000430541489 458458246 /nfs/dbraw/zinc/45/82/46/458458246.db2.gz JBBCBUALRXFIEE-CVEARBPZSA-N 2 1 341.499 3.322 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000430574368 458464048 /nfs/dbraw/zinc/46/40/48/458464048.db2.gz SFTKJKLBPQVXDW-ZOBUZTSGSA-N 2 1 325.456 3.226 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000430574368 458464051 /nfs/dbraw/zinc/46/40/51/458464051.db2.gz SFTKJKLBPQVXDW-ZOBUZTSGSA-N 2 1 325.456 3.226 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000459741189 458464228 /nfs/dbraw/zinc/46/42/28/458464228.db2.gz VEVHEOPXSYNMNU-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430616738 458471342 /nfs/dbraw/zinc/47/13/42/458471342.db2.gz HINNWCSEANQNNN-GVDBMIGSSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430616738 458471345 /nfs/dbraw/zinc/47/13/45/458471345.db2.gz HINNWCSEANQNNN-GVDBMIGSSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000430632296 458473554 /nfs/dbraw/zinc/47/35/54/458473554.db2.gz XYAFDHGBTKAOFH-IAQYHMDHSA-N 2 1 327.831 3.009 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000430632296 458473555 /nfs/dbraw/zinc/47/35/55/458473555.db2.gz XYAFDHGBTKAOFH-IAQYHMDHSA-N 2 1 327.831 3.009 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000430644212 458474914 /nfs/dbraw/zinc/47/49/14/458474914.db2.gz TXMIZRSWLHOMHI-GOSISDBHSA-N 2 1 337.467 3.370 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000430644212 458474920 /nfs/dbraw/zinc/47/49/20/458474920.db2.gz TXMIZRSWLHOMHI-GOSISDBHSA-N 2 1 337.467 3.370 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000423736022 458477585 /nfs/dbraw/zinc/47/75/85/458477585.db2.gz XZLQBQQDOBEVRJ-OGWHTMIXSA-N 2 1 335.536 3.148 20 0 EGADMP C[C@H]1C[C@H](CCNC(=O)C2([NH3+])CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000423891728 458507135 /nfs/dbraw/zinc/50/71/35/458507135.db2.gz BRYKANIELGNFDU-HKUYNNGSSA-N 2 1 343.515 3.065 20 0 EGADMP CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423912519 458510917 /nfs/dbraw/zinc/51/09/17/458510917.db2.gz WDWCUNUXCLQBGS-AABGKKOBSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000460380178 458514731 /nfs/dbraw/zinc/51/47/31/458514731.db2.gz LWFZIEVIVGNNJQ-GTAWCEEGSA-N 2 1 343.515 3.059 20 0 EGADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000423937605 458516207 /nfs/dbraw/zinc/51/62/07/458516207.db2.gz HHFDWYYXBAGCDB-VQTJNVASSA-N 2 1 339.483 3.058 20 0 EGADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431075719 458524544 /nfs/dbraw/zinc/52/45/44/458524544.db2.gz GLGNORBWJWWIGY-HZPDHXFCSA-N 2 1 328.460 3.422 20 0 EGADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000431088150 458527483 /nfs/dbraw/zinc/52/74/83/458527483.db2.gz CWKNJNVJKBQFRC-HOTGVXAUSA-N 2 1 328.460 3.340 20 0 EGADMP CC[C@@H]1CN(c2cc(C)c3ccc(C)cc3n2)CC[N@H+]1C[C@H](C)O ZINC000460943596 458541445 /nfs/dbraw/zinc/54/14/45/458541445.db2.gz MZYQTJCJPBAYMQ-DLBZAZTESA-N 2 1 327.472 3.133 20 0 EGADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[NH+](C)C ZINC000461223699 458551840 /nfs/dbraw/zinc/55/18/40/458551840.db2.gz RQERUNPQNFQPIQ-JENIJYKNSA-N 2 1 348.535 3.014 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1Cl ZINC000424286075 458603942 /nfs/dbraw/zinc/60/39/42/458603942.db2.gz GWUGIWYFVZYDAF-CQSZACIVSA-N 2 1 335.879 3.051 20 0 EGADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1cccc3ccccc31)CC[NH2+]CC2 ZINC000424297543 458607982 /nfs/dbraw/zinc/60/79/82/458607982.db2.gz SWPIETBYFGHGPT-INIZCTEOSA-N 2 1 337.467 3.242 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424301961 458609361 /nfs/dbraw/zinc/60/93/61/458609361.db2.gz YMKIBBKEXFLYSM-ZDUSSCGKSA-N 2 1 335.879 3.051 20 0 EGADMP Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424306927 458610495 /nfs/dbraw/zinc/61/04/95/458610495.db2.gz WKQZMAFMQMPEAQ-FUHWJXTLSA-N 2 1 330.451 3.055 20 0 EGADMP CCCc1csc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000494007405 458615168 /nfs/dbraw/zinc/61/51/68/458615168.db2.gz RANLPVWHFUSYGK-GASCZTMLSA-N 2 1 325.522 3.075 20 0 EGADMP COc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(Cl)c1OC ZINC000424368968 458626572 /nfs/dbraw/zinc/62/65/72/458626572.db2.gz AYMTYQIBTDMLIR-ZDUSSCGKSA-N 2 1 338.879 3.321 20 0 EGADMP Cc1nn2c(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)c(C(C)C)nc2s1 ZINC000424382815 458630059 /nfs/dbraw/zinc/63/00/59/458630059.db2.gz SXJSPERSNVRBIC-CYBMUJFWSA-N 2 1 347.532 3.187 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC3(C(F)F)CC3)CC2)cc1 ZINC000463238326 458686193 /nfs/dbraw/zinc/68/61/93/458686193.db2.gz UEUIRQRTRNEONO-UHFFFAOYSA-N 2 1 326.406 3.468 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000494658222 458720913 /nfs/dbraw/zinc/72/09/13/458720913.db2.gz GBZXCMRPIOMAOX-GTPINHCMSA-N 2 1 339.524 3.144 20 0 EGADMP CCCCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432368156 458724523 /nfs/dbraw/zinc/72/45/23/458724523.db2.gz KVXHICOOBNABHF-SFHVURJKSA-N 2 1 334.504 3.456 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000494695846 458732026 /nfs/dbraw/zinc/73/20/26/458732026.db2.gz YMYGLVJGLBANJW-KFWWJZLASA-N 2 1 338.496 3.109 20 0 EGADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432417296 458736246 /nfs/dbraw/zinc/73/62/46/458736246.db2.gz LLGNGEFSDIPDSO-PZJWPPBQSA-N 2 1 348.531 3.318 20 0 EGADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432417296 458736253 /nfs/dbraw/zinc/73/62/53/458736253.db2.gz LLGNGEFSDIPDSO-PZJWPPBQSA-N 2 1 348.531 3.318 20 0 EGADMP Brc1c[nH+]ccc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000547503134 458751844 /nfs/dbraw/zinc/75/18/44/458751844.db2.gz NSLYDIUPIVALMW-UHFFFAOYSA-N 2 1 338.293 3.475 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547505551 458753097 /nfs/dbraw/zinc/75/30/97/458753097.db2.gz VZWJBEYCKBGRFG-IOMROCGXSA-N 2 1 330.516 3.428 20 0 EGADMP FC(F)(F)c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000432743380 458778924 /nfs/dbraw/zinc/77/89/24/458778924.db2.gz YZWWBWGQCALQRD-UHFFFAOYSA-N 2 1 348.434 3.311 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495301793 458828893 /nfs/dbraw/zinc/82/88/93/458828893.db2.gz ISCFESUSCHEESY-GVDBMIGSSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000548064677 458832570 /nfs/dbraw/zinc/83/25/70/458832570.db2.gz XNPSTNSVOSSABI-ZWKOTPCHSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000548064677 458832576 /nfs/dbraw/zinc/83/25/76/458832576.db2.gz XNPSTNSVOSSABI-ZWKOTPCHSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000548064677 458832583 /nfs/dbraw/zinc/83/25/83/458832583.db2.gz XNPSTNSVOSSABI-ZWKOTPCHSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc(-c3ccccc3F)no2)CC1 ZINC000548076351 458834318 /nfs/dbraw/zinc/83/43/18/458834318.db2.gz IVHATTFZNVJKKS-UHFFFAOYSA-N 2 1 346.450 3.428 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc(-c3ccccc3F)no2)CC1 ZINC000548076351 458834320 /nfs/dbraw/zinc/83/43/20/458834320.db2.gz IVHATTFZNVJKKS-UHFFFAOYSA-N 2 1 346.450 3.428 20 0 EGADMP COc1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc(Cl)c1OC ZINC000518354062 458859318 /nfs/dbraw/zinc/85/93/18/458859318.db2.gz ZABRWUZJBBUAQQ-DOMZBBRYSA-N 2 1 326.868 3.129 20 0 EGADMP COc1cc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)cc(Cl)c1OC ZINC000518354062 458859320 /nfs/dbraw/zinc/85/93/20/458859320.db2.gz ZABRWUZJBBUAQQ-DOMZBBRYSA-N 2 1 326.868 3.129 20 0 EGADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc(Cl)c1OC ZINC000518354062 458859326 /nfs/dbraw/zinc/85/93/26/458859326.db2.gz ZABRWUZJBBUAQQ-DOMZBBRYSA-N 2 1 326.868 3.129 20 0 EGADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc(Cl)c1OC ZINC000518354062 458859330 /nfs/dbraw/zinc/85/93/30/458859330.db2.gz ZABRWUZJBBUAQQ-DOMZBBRYSA-N 2 1 326.868 3.129 20 0 EGADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc(Cl)c1OC ZINC000518354062 458859332 /nfs/dbraw/zinc/85/93/32/458859332.db2.gz ZABRWUZJBBUAQQ-DOMZBBRYSA-N 2 1 326.868 3.129 20 0 EGADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc(Cl)c1OC ZINC000518354062 458859335 /nfs/dbraw/zinc/85/93/35/458859335.db2.gz ZABRWUZJBBUAQQ-DOMZBBRYSA-N 2 1 326.868 3.129 20 0 EGADMP CCOC(=O)C1(C)CCC([NH2+][C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000474613604 458894206 /nfs/dbraw/zinc/89/42/06/458894206.db2.gz DRCKGGUQRQMHRA-APNLKKEMSA-N 2 1 338.536 3.454 20 0 EGADMP CCN(CC)C(=O)[C@@H](c1ccccc1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000441333097 458921177 /nfs/dbraw/zinc/92/11/77/458921177.db2.gz AAVBLEZVCWRLTE-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000576936944 458951254 /nfs/dbraw/zinc/95/12/54/458951254.db2.gz OKHVMLMIJLDRKA-WBVHZDCISA-N 2 1 344.503 3.228 20 0 EGADMP CC(C)CCOc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1 ZINC000566746975 458994671 /nfs/dbraw/zinc/99/46/71/458994671.db2.gz CFYCXDYNPHZOPC-UHFFFAOYSA-N 2 1 334.504 3.048 20 0 EGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C[NH+]3CC[C@@H](C)C3)c2C1 ZINC000566983001 459031769 /nfs/dbraw/zinc/03/17/69/459031769.db2.gz TVJQYUZIKNDOCA-MRXNPFEDSA-N 2 1 329.488 3.329 20 0 EGADMP CC(C)CC[NH+]1Cc2cccc(NC(=O)C[N@@H+]3CC[C@@H](C)C3)c2C1 ZINC000566983001 459031772 /nfs/dbraw/zinc/03/17/72/459031772.db2.gz TVJQYUZIKNDOCA-MRXNPFEDSA-N 2 1 329.488 3.329 20 0 EGADMP CC(C)CC[NH+]1Cc2cccc(NC(=O)C[N@H+]3CC[C@@H](C)C3)c2C1 ZINC000566983001 459031775 /nfs/dbraw/zinc/03/17/75/459031775.db2.gz TVJQYUZIKNDOCA-MRXNPFEDSA-N 2 1 329.488 3.329 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000442762047 459032218 /nfs/dbraw/zinc/03/22/18/459032218.db2.gz DSPXYIBSAPKKAF-MDZRGWNJSA-N 2 1 348.450 3.495 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000442762047 459032224 /nfs/dbraw/zinc/03/22/24/459032224.db2.gz DSPXYIBSAPKKAF-MDZRGWNJSA-N 2 1 348.450 3.495 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000477142742 459032696 /nfs/dbraw/zinc/03/26/96/459032696.db2.gz VMNYPCKIKCITGI-INIZCTEOSA-N 2 1 331.508 3.024 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000477142742 459032702 /nfs/dbraw/zinc/03/27/02/459032702.db2.gz VMNYPCKIKCITGI-INIZCTEOSA-N 2 1 331.508 3.024 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc3[nH]ccc3c2)[C@@H](C)C1 ZINC000442806176 459041217 /nfs/dbraw/zinc/04/12/17/459041217.db2.gz BIWNKCBPVBUJKF-FXAWDEMLSA-N 2 1 343.515 3.437 20 0 EGADMP Cc1ccc(CSCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000594489544 459057861 /nfs/dbraw/zinc/05/78/61/459057861.db2.gz BTBVTMIRDHNXKR-LJQANCHMSA-N 2 1 334.529 3.071 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442929020 459061340 /nfs/dbraw/zinc/06/13/40/459061340.db2.gz QNDLBHUUMYWARU-IBGZPJMESA-N 2 1 340.515 3.417 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000443064693 459081281 /nfs/dbraw/zinc/08/12/81/459081281.db2.gz YQIMNKGVUATRQY-QGZVFWFLSA-N 2 1 329.513 3.489 20 0 EGADMP COCc1nc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(-c2ccccc2)s1 ZINC000520838150 459099630 /nfs/dbraw/zinc/09/96/30/459099630.db2.gz RHGHKPUDTBFHAK-LSDHHAIUSA-N 2 1 331.485 3.316 20 0 EGADMP Cc1ccc(NC(=O)CN2CCC(C[N@H+](C)C(C)C)CC2)cc1C ZINC000532539700 459107970 /nfs/dbraw/zinc/10/79/70/459107970.db2.gz NDJULOACDRKVEM-UHFFFAOYSA-N 2 1 331.504 3.294 20 0 EGADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1C ZINC000532539700 459107973 /nfs/dbraw/zinc/10/79/73/459107973.db2.gz NDJULOACDRKVEM-UHFFFAOYSA-N 2 1 331.504 3.294 20 0 EGADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1C ZINC000532539700 459107976 /nfs/dbraw/zinc/10/79/76/459107976.db2.gz NDJULOACDRKVEM-UHFFFAOYSA-N 2 1 331.504 3.294 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000567678554 459143540 /nfs/dbraw/zinc/14/35/40/459143540.db2.gz VWPXGZQHSOVKHN-ZDUSSCGKSA-N 2 1 334.851 3.099 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000496305823 459144694 /nfs/dbraw/zinc/14/46/94/459144694.db2.gz KETUHBBWZSZECZ-IXDOHACOSA-N 2 1 339.524 3.001 20 0 EGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000558406359 459154220 /nfs/dbraw/zinc/15/42/20/459154220.db2.gz AFZLTLAEMJBVQU-UHFFFAOYSA-N 2 1 325.884 3.058 20 0 EGADMP Cc1cc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc(C)c1O ZINC000578368462 459190655 /nfs/dbraw/zinc/19/06/55/459190655.db2.gz RHFWDCTYGIKVRV-HDICACEKSA-N 2 1 346.515 3.330 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CCc2ccccc2C(=O)OC)CC1 ZINC000480529443 459201834 /nfs/dbraw/zinc/20/18/34/459201834.db2.gz QZLXLCOEGRRXRP-UHFFFAOYSA-N 2 1 346.515 3.460 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000480737540 459216691 /nfs/dbraw/zinc/21/66/91/459216691.db2.gz OXDSZSIGPRZMBR-QRVBRYPASA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000496517543 459224678 /nfs/dbraw/zinc/22/46/78/459224678.db2.gz ZHWQBKHBVWLLTB-DOTOQJQBSA-N 2 1 331.460 3.120 20 0 EGADMP C[C@@H](c1cccc(N2CCOC2=O)c1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000496517543 459224684 /nfs/dbraw/zinc/22/46/84/459224684.db2.gz ZHWQBKHBVWLLTB-DOTOQJQBSA-N 2 1 331.460 3.120 20 0 EGADMP C[C@@H](c1cccc(N2CCOC2=O)c1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000496517543 459224690 /nfs/dbraw/zinc/22/46/90/459224690.db2.gz ZHWQBKHBVWLLTB-DOTOQJQBSA-N 2 1 331.460 3.120 20 0 EGADMP C[C@]1(CO)CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000568087094 459225336 /nfs/dbraw/zinc/22/53/36/459225336.db2.gz NPVBOSNJYKVWQB-SLFFLAALSA-N 2 1 328.500 3.324 20 0 EGADMP C[C@]1(CO)CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000568087094 459225341 /nfs/dbraw/zinc/22/53/41/459225341.db2.gz NPVBOSNJYKVWQB-SLFFLAALSA-N 2 1 328.500 3.324 20 0 EGADMP COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)[NH+]1CCCCC1 ZINC000481164879 459236388 /nfs/dbraw/zinc/23/63/88/459236388.db2.gz AWBSGPOGXZPPBY-SXLOBPIMSA-N 2 1 345.531 3.152 20 0 EGADMP COc1ccc(C[N@H+](C)CCCc2c[nH+]cn2C)cc1OC(F)F ZINC000568168560 459237748 /nfs/dbraw/zinc/23/77/48/459237748.db2.gz KQKVUOOOFREWHF-UHFFFAOYSA-N 2 1 339.386 3.095 20 0 EGADMP COc1ccc(C[N@@H+](C)CCCc2c[nH+]cn2C)cc1OC(F)F ZINC000568168560 459237753 /nfs/dbraw/zinc/23/77/53/459237753.db2.gz KQKVUOOOFREWHF-UHFFFAOYSA-N 2 1 339.386 3.095 20 0 EGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000481179823 459237973 /nfs/dbraw/zinc/23/79/73/459237973.db2.gz JPZSYNYVMWCKJB-QRVBRYPASA-N 2 1 347.547 3.398 20 0 EGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000481179823 459237977 /nfs/dbraw/zinc/23/79/77/459237977.db2.gz JPZSYNYVMWCKJB-QRVBRYPASA-N 2 1 347.547 3.398 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2c(F)cccc2F)[C@@H](C)C1 ZINC000481315815 459245060 /nfs/dbraw/zinc/24/50/60/459245060.db2.gz RRUPPMJKTJJOHC-HNAYVOBHSA-N 2 1 340.458 3.234 20 0 EGADMP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000522546420 459248122 /nfs/dbraw/zinc/24/81/22/459248122.db2.gz LONFGCKBZHLXCN-PKOBYXMFSA-N 2 1 347.547 3.298 20 0 EGADMP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000559842556 459280272 /nfs/dbraw/zinc/28/02/72/459280272.db2.gz JZFQKJPWJYDNLL-BHDDXSALSA-N 2 1 338.495 3.324 20 0 EGADMP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000559842556 459280277 /nfs/dbraw/zinc/28/02/77/459280277.db2.gz JZFQKJPWJYDNLL-BHDDXSALSA-N 2 1 338.495 3.324 20 0 EGADMP Fc1ccc(-c2cnc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000582122817 459312889 /nfs/dbraw/zinc/31/28/89/459312889.db2.gz DGQLIMHENSYWBC-CVEARBPZSA-N 2 1 329.419 3.302 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000496790168 459324110 /nfs/dbraw/zinc/32/41/10/459324110.db2.gz JHERAZXQRMFRBK-BRWVUGGUSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000496790168 459324118 /nfs/dbraw/zinc/32/41/18/459324118.db2.gz JHERAZXQRMFRBK-BRWVUGGUSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000496790168 459324122 /nfs/dbraw/zinc/32/41/22/459324122.db2.gz JHERAZXQRMFRBK-BRWVUGGUSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000496790168 459324130 /nfs/dbraw/zinc/32/41/30/459324130.db2.gz JHERAZXQRMFRBK-BRWVUGGUSA-N 2 1 339.524 3.048 20 0 EGADMP Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000560544185 459370951 /nfs/dbraw/zinc/37/09/51/459370951.db2.gz GVEYCLAWYQXPOO-SESVDKBCSA-N 2 1 338.499 3.201 20 0 EGADMP Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000560544185 459370957 /nfs/dbraw/zinc/37/09/57/459370957.db2.gz GVEYCLAWYQXPOO-SESVDKBCSA-N 2 1 338.499 3.201 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2C)[C@H](C)C1 ZINC000483636213 459378272 /nfs/dbraw/zinc/37/82/72/459378272.db2.gz MBKKYEFOHORNAU-AABGKKOBSA-N 2 1 348.531 3.489 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)Oc1ccc(Br)cc1 ZINC000483829923 459394592 /nfs/dbraw/zinc/39/45/92/459394592.db2.gz BPMMUPWKPYNOHZ-ZENOOKHLSA-N 2 1 341.293 3.146 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(C)c2C)CC1 ZINC000525121177 459417205 /nfs/dbraw/zinc/41/72/05/459417205.db2.gz XJVPKEFAWYMICL-FQEVSTJZSA-N 2 1 343.515 3.041 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000591700539 459424367 /nfs/dbraw/zinc/42/43/67/459424367.db2.gz JPYWKFIVACNWQI-CQSZACIVSA-N 2 1 339.443 3.016 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497121156 459449041 /nfs/dbraw/zinc/44/90/41/459449041.db2.gz WJMDGWMZICUPKC-IXDOHACOSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2(CNC(=O)OC(C)(C)C)CC2)C[C@H]1n1ccnc1 ZINC000497147288 459458908 /nfs/dbraw/zinc/45/89/08/459458908.db2.gz MRJSCYKVDWNBLN-HZPDHXFCSA-N 2 1 348.491 3.071 20 0 EGADMP C[C@H]1CC[N@@H+](CC2(CNC(=O)OC(C)(C)C)CC2)C[C@H]1n1ccnc1 ZINC000497147292 459459862 /nfs/dbraw/zinc/45/98/62/459459862.db2.gz MRJSCYKVDWNBLN-JKSUJKDBSA-N 2 1 348.491 3.071 20 0 EGADMP C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1c(Cl)cccc1Cl ZINC000569594589 459477479 /nfs/dbraw/zinc/47/74/79/459477479.db2.gz FKOHDRWOVPXMPS-DGCLKSJQSA-N 2 1 331.287 3.142 20 0 EGADMP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1c(Cl)cccc1Cl ZINC000569594589 459477488 /nfs/dbraw/zinc/47/74/88/459477488.db2.gz FKOHDRWOVPXMPS-DGCLKSJQSA-N 2 1 331.287 3.142 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCCc4ccncc4)C[C@H]3C2)cc1 ZINC000583230841 459505789 /nfs/dbraw/zinc/50/57/89/459505789.db2.gz CPOGUXHKRSYHBI-YADHBBJMSA-N 2 1 335.495 3.468 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCCc4ccncc4)C[C@H]3C2)cc1 ZINC000583230841 459505792 /nfs/dbraw/zinc/50/57/92/459505792.db2.gz CPOGUXHKRSYHBI-YADHBBJMSA-N 2 1 335.495 3.468 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCCc4ccncc4)C[C@H]3C2)cc1 ZINC000583230841 459505796 /nfs/dbraw/zinc/50/57/96/459505796.db2.gz CPOGUXHKRSYHBI-YADHBBJMSA-N 2 1 335.495 3.468 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](C)c3ccc(F)cc3)C2)CC1 ZINC000525875150 459509054 /nfs/dbraw/zinc/50/90/54/459509054.db2.gz CSXCHWBPVXJOHM-XLIONFOSSA-N 2 1 333.495 3.030 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](C)c3ccc(F)cc3)C2)CC1 ZINC000525875151 459509740 /nfs/dbraw/zinc/50/97/40/459509740.db2.gz CSXCHWBPVXJOHM-YLJYHZDGSA-N 2 1 333.495 3.030 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1)Nc1ccccc1 ZINC000569795429 459511544 /nfs/dbraw/zinc/51/15/44/459511544.db2.gz TYUDRGIFVTYIDW-IEBWSBKVSA-N 2 1 344.503 3.052 20 0 EGADMP CO[C@@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000569870855 459523767 /nfs/dbraw/zinc/52/37/67/459523767.db2.gz NXKMUPXXQKWFPF-BDTNDASRSA-N 2 1 336.479 3.438 20 0 EGADMP CO[C@@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000569870855 459523771 /nfs/dbraw/zinc/52/37/71/459523771.db2.gz NXKMUPXXQKWFPF-BDTNDASRSA-N 2 1 336.479 3.438 20 0 EGADMP CO[C@@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000569870855 459523774 /nfs/dbraw/zinc/52/37/74/459523774.db2.gz NXKMUPXXQKWFPF-BDTNDASRSA-N 2 1 336.479 3.438 20 0 EGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000569924580 459532512 /nfs/dbraw/zinc/53/25/12/459532512.db2.gz ZMYUTIKRTRAWCZ-LJQANCHMSA-N 2 1 345.531 3.291 20 0 EGADMP COC[C@@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000542516842 459564198 /nfs/dbraw/zinc/56/41/98/459564198.db2.gz KUFHZHKKXGDYKI-JOCHJYFZSA-N 2 1 338.495 3.282 20 0 EGADMP COC[C@@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000542516842 459564204 /nfs/dbraw/zinc/56/42/04/459564204.db2.gz KUFHZHKKXGDYKI-JOCHJYFZSA-N 2 1 338.495 3.282 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000500106890 459664864 /nfs/dbraw/zinc/66/48/64/459664864.db2.gz QHPSNVRBZHVKKU-RLLQIKCJSA-N 2 1 345.531 3.180 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C4CC4)c3)C2)CC1 ZINC000573435299 459675670 /nfs/dbraw/zinc/67/56/70/459675670.db2.gz LVJMAKNFEIFFFL-OAQYLSRUSA-N 2 1 327.516 3.164 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527654929 459685285 /nfs/dbraw/zinc/68/52/85/459685285.db2.gz XDNBWBFPZWDPCE-UHFFFAOYSA-N 2 1 349.466 3.130 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527686856 459700130 /nfs/dbraw/zinc/70/01/30/459700130.db2.gz YDFVTTSGKGNSJV-UHFFFAOYSA-N 2 1 331.204 3.079 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000563115842 459717841 /nfs/dbraw/zinc/71/78/41/459717841.db2.gz PPPKEHQCHJHSDK-IBGZPJMESA-N 2 1 331.504 3.181 20 0 EGADMP [NH3+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000584411721 459731581 /nfs/dbraw/zinc/73/15/81/459731581.db2.gz PUXPWCVPGZOYBV-KRWDZBQOSA-N 2 1 337.467 3.353 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000573783384 459734056 /nfs/dbraw/zinc/73/40/56/459734056.db2.gz FJSVRTIZGMCIJF-KRWDZBQOSA-N 2 1 344.503 3.325 20 0 EGADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000527803094 459741150 /nfs/dbraw/zinc/74/11/50/459741150.db2.gz UUNSASBNIJLRDH-UXHICEINSA-N 2 1 334.479 3.378 20 0 EGADMP [NH3+][C@H]1C[C@H]([NH2+]CCOc2cccc(C(F)(F)F)n2)c2ccccc21 ZINC000566062539 459800446 /nfs/dbraw/zinc/80/04/46/459800446.db2.gz CHIBPVNYNXODNS-KBPBESRZSA-N 2 1 337.345 3.214 20 0 EGADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000545150527 459803621 /nfs/dbraw/zinc/80/36/21/459803621.db2.gz GIIWNQCPSQHKKM-QGZVFWFLSA-N 2 1 336.888 3.225 20 0 EGADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000545150527 459803625 /nfs/dbraw/zinc/80/36/25/459803625.db2.gz GIIWNQCPSQHKKM-QGZVFWFLSA-N 2 1 336.888 3.225 20 0 EGADMP Cc1ccc([C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)[NH+](C)C)cc1 ZINC000545308655 459822732 /nfs/dbraw/zinc/82/27/32/459822732.db2.gz UNKCNZZGVGEIMZ-FQEVSTJZSA-N 2 1 345.531 3.369 20 0 EGADMP CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000597149665 459852024 /nfs/dbraw/zinc/85/20/24/459852024.db2.gz GXQVSQWXQVYSDE-OAHLLOKOSA-N 2 1 333.476 3.163 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000575985180 460046831 /nfs/dbraw/zinc/04/68/31/460046831.db2.gz UNIJCJGWASDXLL-QGZVFWFLSA-N 2 1 329.513 3.360 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000575985180 460046833 /nfs/dbraw/zinc/04/68/33/460046833.db2.gz UNIJCJGWASDXLL-QGZVFWFLSA-N 2 1 329.513 3.360 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c2ccccc21 ZINC000621750202 460047299 /nfs/dbraw/zinc/04/72/99/460047299.db2.gz KPDWRFODVCUMML-ZWOKBUDYSA-N 2 1 343.515 3.442 20 0 EGADMP CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000576254714 460103272 /nfs/dbraw/zinc/10/32/72/460103272.db2.gz VLOKDCPBYPMRRJ-GHTZIAJQSA-N 3 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000576254714 460103280 /nfs/dbraw/zinc/10/32/80/460103280.db2.gz VLOKDCPBYPMRRJ-GHTZIAJQSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)Cc2ccccc2)CC1 ZINC000576390101 460130371 /nfs/dbraw/zinc/13/03/71/460130371.db2.gz HCGHPKYVTCOPPW-XMSQKQJNSA-N 2 1 338.495 3.405 20 0 EGADMP FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000625679029 460235419 /nfs/dbraw/zinc/23/54/19/460235419.db2.gz NECIFXKAOWMPHJ-HDICACEKSA-N 2 1 336.426 3.281 20 0 EGADMP FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000625679029 460235423 /nfs/dbraw/zinc/23/54/23/460235423.db2.gz NECIFXKAOWMPHJ-HDICACEKSA-N 2 1 336.426 3.281 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2nc(-c3cccnc3)no2)CC1 ZINC000603411266 460300310 /nfs/dbraw/zinc/30/03/10/460300310.db2.gz SDPNSTRSETYXNZ-OAHLLOKOSA-N 2 1 343.475 3.245 20 0 EGADMP CSC[C@H]1CCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000611274720 460326266 /nfs/dbraw/zinc/32/62/66/460326266.db2.gz MYAJGELXCNKOIW-GOSISDBHSA-N 2 1 334.529 3.489 20 0 EGADMP CC(=O)NCCC[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000623015092 460383951 /nfs/dbraw/zinc/38/39/51/460383951.db2.gz BXOUCKZSGVLKRS-NRFANRHFSA-N 2 1 345.531 3.041 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000631575451 460452212 /nfs/dbraw/zinc/45/22/12/460452212.db2.gz FPCYJYMOFPRIQJ-BURNTYAHSA-N 2 1 340.511 3.446 20 0 EGADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)C(C)(C)C ZINC000604774235 460476726 /nfs/dbraw/zinc/47/67/26/460476726.db2.gz KFYGEBQPUHTLAN-ROUUACIJSA-N 2 1 331.504 3.138 20 0 EGADMP O[C@@]1(C[NH2+]C[C@H]2CCCC(F)(F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634713352 460490197 /nfs/dbraw/zinc/49/01/97/460490197.db2.gz UNPDRSRVJDZORO-ZWKOTPCHSA-N 2 1 338.442 3.039 20 0 EGADMP O[C@@]1(C[NH2+]C[C@H]2CCCC(F)(F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634713352 460490201 /nfs/dbraw/zinc/49/02/01/460490201.db2.gz UNPDRSRVJDZORO-ZWKOTPCHSA-N 2 1 338.442 3.039 20 0 EGADMP CC1(C)C[NH2+]CC[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000634732406 460498487 /nfs/dbraw/zinc/49/84/87/460498487.db2.gz FVQYWOBLAACQJQ-FQEVSTJZSA-N 2 1 347.522 3.200 20 0 EGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1c1[nH+]cnc2[nH]ccc21 ZINC000634807811 460532081 /nfs/dbraw/zinc/53/20/81/460532081.db2.gz BNJIJHHMPWTUOI-AEFFLSMTSA-N 2 1 335.455 3.134 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000635325317 460745739 /nfs/dbraw/zinc/74/57/39/460745739.db2.gz NIJDXAZFVCJNLD-QGZVFWFLSA-N 2 1 343.515 3.019 20 0 EGADMP FC(F)(F)c1ncccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000629543654 460803274 /nfs/dbraw/zinc/80/32/74/460803274.db2.gz COAAPWUMMIAVOE-CQSZACIVSA-N 2 1 327.394 3.312 20 0 EGADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560549 460808828 /nfs/dbraw/zinc/80/88/28/460808828.db2.gz DSKHYZZFPLCLDS-CABCVRRESA-N 2 1 330.394 3.141 20 0 EGADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560549 460808832 /nfs/dbraw/zinc/80/88/32/460808832.db2.gz DSKHYZZFPLCLDS-CABCVRRESA-N 2 1 330.394 3.141 20 0 EGADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629563357 460811554 /nfs/dbraw/zinc/81/15/54/460811554.db2.gz DRZREIUPZORMJT-HOCLYGCPSA-N 2 1 330.394 3.141 20 0 EGADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629563357 460811558 /nfs/dbraw/zinc/81/15/58/460811558.db2.gz DRZREIUPZORMJT-HOCLYGCPSA-N 2 1 330.394 3.141 20 0 EGADMP CN(C(=O)CCCC1CCCCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000601477217 460818303 /nfs/dbraw/zinc/81/83/03/460818303.db2.gz GSGWFOJCCPYPHO-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)CCCC1CCCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601477217 460818308 /nfs/dbraw/zinc/81/83/08/460818308.db2.gz GSGWFOJCCPYPHO-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@H]1C(F)(F)F ZINC000629652740 460847749 /nfs/dbraw/zinc/84/77/49/460847749.db2.gz BOWTVABEOPMVLQ-DZGCQCFKSA-N 2 1 338.377 3.036 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@H]1C(F)(F)F ZINC000629652740 460847753 /nfs/dbraw/zinc/84/77/53/460847753.db2.gz BOWTVABEOPMVLQ-DZGCQCFKSA-N 2 1 338.377 3.036 20 0 EGADMP CCCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629654294 460848678 /nfs/dbraw/zinc/84/86/78/460848678.db2.gz HEXLPOJENJBZHK-HOCLYGCPSA-N 2 1 330.394 3.435 20 0 EGADMP CCCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629654294 460848682 /nfs/dbraw/zinc/84/86/82/460848682.db2.gz HEXLPOJENJBZHK-HOCLYGCPSA-N 2 1 330.394 3.435 20 0 EGADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000632893295 460872803 /nfs/dbraw/zinc/87/28/03/460872803.db2.gz SQAZMEHTILTWLF-DOTOQJQBSA-N 2 1 344.503 3.405 20 0 EGADMP C[NH+](C)CCOc1cccc(-c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000629700579 460873861 /nfs/dbraw/zinc/87/38/61/460873861.db2.gz LZTDBBWHHOQOEJ-UHFFFAOYSA-N 2 1 340.467 3.126 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)C1CCC1 ZINC000629948408 460969157 /nfs/dbraw/zinc/96/91/57/460969157.db2.gz GBLLGIZPDGQOGD-GOSISDBHSA-N 2 1 349.906 3.077 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1CCC1 ZINC000629948408 460969169 /nfs/dbraw/zinc/96/91/69/460969169.db2.gz GBLLGIZPDGQOGD-GOSISDBHSA-N 2 1 349.906 3.077 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[NH+](C)C3CCC3)cc2)C1 ZINC000629948438 460969428 /nfs/dbraw/zinc/96/94/28/460969428.db2.gz HIVICTKTEFRECF-INIZCTEOSA-N 2 1 329.488 3.341 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000613491304 460969833 /nfs/dbraw/zinc/96/98/33/460969833.db2.gz NLRDXTGNBWAEQE-SFHVURJKSA-N 2 1 332.488 3.270 20 0 EGADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000628186541 461037102 /nfs/dbraw/zinc/03/71/02/461037102.db2.gz NRAIXJWNNLKEKQ-DYXWJJEUSA-N 2 1 329.532 3.056 20 0 EGADMP Cc1cc(C(F)(F)F)cc(N2CCC(C)(N3CCOCC3)CC2)n1 ZINC000624605164 461065926 /nfs/dbraw/zinc/06/59/26/461065926.db2.gz BYOQWVGXVAFDFC-UHFFFAOYSA-N 2 1 343.393 3.100 20 0 EGADMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cnc(C4CC4)o3)cc2)CC1 ZINC000628265832 461066863 /nfs/dbraw/zinc/06/68/63/461066863.db2.gz SYHSHXSNCJCOED-UHFFFAOYSA-N 2 1 341.455 3.315 20 0 EGADMP C[C@@H]1CCC[C@H](NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000637919710 461126923 /nfs/dbraw/zinc/12/69/23/461126923.db2.gz SZZZYQHMUIAARG-MJGOQNOKSA-N 2 1 343.515 3.065 20 0 EGADMP C[C@@H]1CCC[C@@H](NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000637919706 461127142 /nfs/dbraw/zinc/12/71/42/461127142.db2.gz SZZZYQHMUIAARG-IEBWSBKVSA-N 2 1 343.515 3.065 20 0 EGADMP Cc1cn2ccc(NC(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)cc2n1 ZINC000668151953 461137102 /nfs/dbraw/zinc/13/71/02/461137102.db2.gz UEWKHXPHRMUGBH-OAHLLOKOSA-N 2 1 343.475 3.276 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000649506826 461138612 /nfs/dbraw/zinc/13/86/12/461138612.db2.gz YOQYJABPIQDZKQ-UHFFFAOYSA-N 2 1 338.499 3.173 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000649506826 461138619 /nfs/dbraw/zinc/13/86/19/461138619.db2.gz YOQYJABPIQDZKQ-UHFFFAOYSA-N 2 1 338.499 3.173 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c2ccccc2n1 ZINC000652349585 461144951 /nfs/dbraw/zinc/14/49/51/461144951.db2.gz UNUJPRBJOCETFV-DJPFJPOOSA-N 2 1 339.483 3.262 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000652350982 461145286 /nfs/dbraw/zinc/14/52/86/461145286.db2.gz BXDLOVXFHGKUAH-UGKGYDQZSA-N 2 1 349.478 3.500 20 0 EGADMP CC[N@@H+](Cc1c(C2CC2)cnn1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000668161053 461147839 /nfs/dbraw/zinc/14/78/39/461147839.db2.gz PQVMIMJIEHWPRL-UHFFFAOYSA-N 2 1 326.488 3.381 20 0 EGADMP COc1cccc(SCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000662272926 461161377 /nfs/dbraw/zinc/16/13/77/461161377.db2.gz IJAYXMYGEILLFY-IAGOWNOFSA-N 2 1 334.529 3.499 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC[C@H]2CCc3ccccc32)C1 ZINC000662284427 461164634 /nfs/dbraw/zinc/16/46/34/461164634.db2.gz NHCVAVNVQGOQJM-QCFAMHMHSA-N 2 1 328.500 3.467 20 0 EGADMP Brc1cc2c(s1)CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000662309538 461182927 /nfs/dbraw/zinc/18/29/27/461182927.db2.gz ADEIEOCILWDUOH-LLVKDONJSA-N 2 1 329.307 3.258 20 0 EGADMP Brc1cc2c(s1)CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000662309538 461182930 /nfs/dbraw/zinc/18/29/30/461182930.db2.gz ADEIEOCILWDUOH-LLVKDONJSA-N 2 1 329.307 3.258 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3F)no2)[C@@H]1CCC[NH3+] ZINC000662314391 461186460 /nfs/dbraw/zinc/18/64/60/461186460.db2.gz CMVUFIDTOLTYGA-CZUORRHYSA-N 2 1 332.423 3.215 20 0 EGADMP CC(C)[NH2+]CC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000662399310 461231344 /nfs/dbraw/zinc/23/13/44/461231344.db2.gz LOEGZUPHCNWUEZ-UHFFFAOYSA-N 2 1 331.504 3.065 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(Cl)cc1O ZINC000638173337 461285604 /nfs/dbraw/zinc/28/56/04/461285604.db2.gz WGIZKNQLSIWGCV-DOMZBBRYSA-N 2 1 335.835 3.334 20 0 EGADMP COc1cc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(Cl)cc1O ZINC000638173337 461285612 /nfs/dbraw/zinc/28/56/12/461285612.db2.gz WGIZKNQLSIWGCV-DOMZBBRYSA-N 2 1 335.835 3.334 20 0 EGADMP CC(C)O[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649702672 461290411 /nfs/dbraw/zinc/29/04/11/461290411.db2.gz KRDANZDJQNBAJA-VGIQHARFSA-N 2 1 338.536 3.321 20 0 EGADMP CC(C)O[C@@H]1CCC[N@@H+](C/C=C/C[NH+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649702672 461290420 /nfs/dbraw/zinc/29/04/20/461290420.db2.gz KRDANZDJQNBAJA-VGIQHARFSA-N 2 1 338.536 3.321 20 0 EGADMP CC(C)O[C@@H]1CCC[N@H+](C/C=C/C[NH+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649702672 461290425 /nfs/dbraw/zinc/29/04/25/461290425.db2.gz KRDANZDJQNBAJA-VGIQHARFSA-N 2 1 338.536 3.321 20 0 EGADMP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000646579445 461338472 /nfs/dbraw/zinc/33/84/72/461338472.db2.gz HEOITMRNOSNGND-QGZVFWFLSA-N 2 1 341.430 3.135 20 0 EGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662745545 461364592 /nfs/dbraw/zinc/36/45/92/461364592.db2.gz NOOPOQOMRAJRKN-MOPGFXCFSA-N 2 1 343.515 3.012 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc2ccc(F)c(F)c2n1 ZINC000638335043 461374535 /nfs/dbraw/zinc/37/45/35/461374535.db2.gz IUMGAXPSSOOXRE-LBPRGKRZSA-N 2 1 330.382 3.444 20 0 EGADMP Cc1ccc2c(CC[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)c[nH]c2c1 ZINC000655713522 461383353 /nfs/dbraw/zinc/38/33/53/461383353.db2.gz PRBYERRVXUJENG-IBGZPJMESA-N 2 1 341.499 3.252 20 0 EGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Sc1ccccc1 ZINC000655719201 461386992 /nfs/dbraw/zinc/38/69/92/461386992.db2.gz HXFJLXDTZMCUGC-AEFFLSMTSA-N 2 1 334.529 3.400 20 0 EGADMP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655719707 461389673 /nfs/dbraw/zinc/38/96/73/461389673.db2.gz VXIOFZAYBVBMBY-VNQPRFMTSA-N 2 1 334.426 3.198 20 0 EGADMP O=C(CCc1cnc[nH]1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652871407 461393349 /nfs/dbraw/zinc/39/33/49/461393349.db2.gz IEMIBKKQVQCBRR-UHFFFAOYSA-N 2 1 344.484 3.169 20 0 EGADMP CC(C)(C)c1ccccc1OCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655726561 461395169 /nfs/dbraw/zinc/39/51/69/461395169.db2.gz BCOSGQLAVCGZCQ-SFHVURJKSA-N 2 1 346.515 3.206 20 0 EGADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000655733888 461401799 /nfs/dbraw/zinc/40/17/99/461401799.db2.gz USYHHBSDUKHWOU-HNNXBMFYSA-N 2 1 332.879 3.266 20 0 EGADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000655733888 461401805 /nfs/dbraw/zinc/40/18/05/461401805.db2.gz USYHHBSDUKHWOU-HNNXBMFYSA-N 2 1 332.879 3.266 20 0 EGADMP c1ccc([C@@H]2CCC[C@@H]2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655771422 461434874 /nfs/dbraw/zinc/43/48/74/461434874.db2.gz KKDKXDIZVUFLQL-NRSPTQNISA-N 2 1 328.500 3.413 20 0 EGADMP CCOc1ccc(C[C@@H](C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655775315 461437240 /nfs/dbraw/zinc/43/72/40/461437240.db2.gz WBEICAANUFAIJW-XLIONFOSSA-N 2 1 346.515 3.107 20 0 EGADMP Cn1cc(CCC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638482127 461450291 /nfs/dbraw/zinc/45/02/91/461450291.db2.gz ZKHLEUHQTYVWCD-CTNGQTDRSA-N 2 1 338.499 3.310 20 0 EGADMP Cn1cc(CCC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638482127 461450299 /nfs/dbraw/zinc/45/02/99/461450299.db2.gz ZKHLEUHQTYVWCD-CTNGQTDRSA-N 2 1 338.499 3.310 20 0 EGADMP c1cc(CCC[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc2c1OCC2 ZINC000668818746 461451129 /nfs/dbraw/zinc/45/11/29/461451129.db2.gz KLWNIJVTGVMGQP-LJQANCHMSA-N 2 1 328.500 3.266 20 0 EGADMP Fc1ccccc1C1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000655792784 461452408 /nfs/dbraw/zinc/45/24/08/461452408.db2.gz PUNKHDDFZRZZFY-QGZVFWFLSA-N 2 1 332.463 3.090 20 0 EGADMP OCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000666120038 461461295 /nfs/dbraw/zinc/46/12/95/461461295.db2.gz GCIPQTPTHGYRHP-VQIMIIECSA-N 2 1 336.907 3.413 20 0 EGADMP CC(C)CNC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000659927711 461501255 /nfs/dbraw/zinc/50/12/55/461501255.db2.gz HVINRUDSDAOIRG-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CNC(=O)CCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000659927711 461501258 /nfs/dbraw/zinc/50/12/58/461501258.db2.gz HVINRUDSDAOIRG-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CNC(=O)CCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000659927711 461501264 /nfs/dbraw/zinc/50/12/64/461501264.db2.gz HVINRUDSDAOIRG-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]CC3)cc2)C1 ZINC000653108177 461505076 /nfs/dbraw/zinc/50/50/76/461505076.db2.gz LSWHXTCYXSTJKA-WMZOPIPTSA-N 2 1 329.488 3.247 20 0 EGADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000638613531 461505959 /nfs/dbraw/zinc/50/59/59/461505959.db2.gz YCRZEYXYIANWJF-MBOZVWFJSA-N 2 1 343.515 3.249 20 0 EGADMP CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000659946046 461507957 /nfs/dbraw/zinc/50/79/57/461507957.db2.gz ZBDJUAJQEAFTLO-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@](C)(CC)OC)CC2)cs1 ZINC000638623542 461508243 /nfs/dbraw/zinc/50/82/43/461508243.db2.gz OZHBPDOAGPZPOS-GOSISDBHSA-N 2 1 339.549 3.322 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000659983920 461528541 /nfs/dbraw/zinc/52/85/41/461528541.db2.gz YEGCJLUBJRXIGT-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2[nH+]ccc3[nH]ccc32)cc1 ZINC000663354132 461583878 /nfs/dbraw/zinc/58/38/78/461583878.db2.gz LMFXIQQVIMRAQC-LJQANCHMSA-N 2 1 336.439 3.357 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCCC2CC[NH2+]CC2)cc1)C(C)C ZINC000653271973 461600928 /nfs/dbraw/zinc/60/09/28/461600928.db2.gz SXRSOZBCQFGJJG-UHFFFAOYSA-N 2 1 331.504 3.036 20 0 EGADMP C[C@@H]1C[N@H+](CC[C@@H]2CCc3ccccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000660158981 461613188 /nfs/dbraw/zinc/61/31/88/461613188.db2.gz YQOXBQOLZQQUJY-CBQOVEMMSA-N 2 1 341.543 3.064 20 0 EGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000660158981 461613196 /nfs/dbraw/zinc/61/31/96/461613196.db2.gz YQOXBQOLZQQUJY-CBQOVEMMSA-N 2 1 341.543 3.064 20 0 EGADMP Cc1cc(C)c(/C=C\C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1C ZINC000631176565 461615536 /nfs/dbraw/zinc/61/55/36/461615536.db2.gz AXEGUWLQTJTSGH-OLEQZPESSA-N 2 1 328.500 3.468 20 0 EGADMP COc1ccc([C@@H](CC(C)C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000647288285 461615925 /nfs/dbraw/zinc/61/59/25/461615925.db2.gz ZEXNIQVWMJPNQT-OAQYLSRUSA-N 2 1 347.547 3.400 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000631195484 461634969 /nfs/dbraw/zinc/63/49/69/461634969.db2.gz YNYPFGKXVUSXAY-PXNSSMCTSA-N 2 1 339.483 3.338 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000631195484 461634975 /nfs/dbraw/zinc/63/49/75/461634975.db2.gz YNYPFGKXVUSXAY-PXNSSMCTSA-N 2 1 339.483 3.338 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000663465353 461654524 /nfs/dbraw/zinc/65/45/24/461654524.db2.gz JIMCCEGDLQICAB-UKRRQHHQSA-N 2 1 329.444 3.306 20 0 EGADMP Cc1noc(C2CCC([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)n1 ZINC000663467276 461657330 /nfs/dbraw/zinc/65/73/30/461657330.db2.gz ZUPAOHNZKNACNR-AOCRQIFASA-N 2 1 332.492 3.116 20 0 EGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]CC3CCSCC3)C2)cc1 ZINC000639103064 461728807 /nfs/dbraw/zinc/72/88/07/461728807.db2.gz DFXUSTMMMBPJER-LJQANCHMSA-N 2 1 334.529 3.010 20 0 EGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]CC3CCSCC3)C2)cc1 ZINC000639103064 461728811 /nfs/dbraw/zinc/72/88/11/461728811.db2.gz DFXUSTMMMBPJER-LJQANCHMSA-N 2 1 334.529 3.010 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1)c1c[nH+]ccc1N ZINC000643453287 461730537 /nfs/dbraw/zinc/73/05/37/461730537.db2.gz YSHQGUBSYRHMII-UONOGXRCSA-N 2 1 330.863 3.325 20 0 EGADMP COc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC000643451993 461730842 /nfs/dbraw/zinc/73/08/42/461730842.db2.gz LKTCGTYFLPRSLP-GUDVDZBRSA-N 2 1 338.451 3.082 20 0 EGADMP CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000643461984 461735299 /nfs/dbraw/zinc/73/52/99/461735299.db2.gz IQLHNLLLFKUYIT-MOPGFXCFSA-N 2 1 343.515 3.106 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@H]1[NH3+] ZINC000647498150 461735722 /nfs/dbraw/zinc/73/57/22/461735722.db2.gz BLKVMBAXKOCQKI-UYAOXDASSA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC[C@@H]1[NH3+] ZINC000647497643 461736526 /nfs/dbraw/zinc/73/65/26/461736526.db2.gz OIBWMEBZDGVXGT-JSGCOSHPSA-N 2 1 334.357 3.326 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC[C@@H]1[NH3+] ZINC000647497643 461736534 /nfs/dbraw/zinc/73/65/34/461736534.db2.gz OIBWMEBZDGVXGT-JSGCOSHPSA-N 2 1 334.357 3.326 20 0 EGADMP Nc1c(F)cccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000639115161 461737115 /nfs/dbraw/zinc/73/71/15/461737115.db2.gz UEEGDQYHLBVYLP-UHFFFAOYSA-N 2 1 328.435 3.320 20 0 EGADMP CC[NH2+]CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000643499097 461747425 /nfs/dbraw/zinc/74/74/25/461747425.db2.gz SWRFQXHTLPGSJC-CVEARBPZSA-N 2 1 341.293 3.258 20 0 EGADMP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543517 461757752 /nfs/dbraw/zinc/75/77/52/461757752.db2.gz ORGFPYDIKWFDGV-MOPGFXCFSA-N 2 1 338.499 3.392 20 0 EGADMP CCOCc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OC ZINC000647544358 461759099 /nfs/dbraw/zinc/75/90/99/461759099.db2.gz ZLHMLHZBXRBCSQ-MOPGFXCFSA-N 2 1 346.515 3.443 20 0 EGADMP Brc1cncc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543943 461759156 /nfs/dbraw/zinc/75/91/56/461759156.db2.gz URYDVXNDQDBTOL-HUUCEWRRSA-N 2 1 338.293 3.056 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000647544508 461759585 /nfs/dbraw/zinc/75/95/85/461759585.db2.gz BVUUJZFLZULOLA-DLBZAZTESA-N 2 1 342.487 3.200 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)CC[NH2+]1 ZINC000666687236 461759942 /nfs/dbraw/zinc/75/99/42/461759942.db2.gz GWHGLZPOIOJCPH-ZIFCJYIRSA-N 2 1 344.503 3.051 20 0 EGADMP Cn1c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc2ccc(Cl)cc21 ZINC000647543559 461760059 /nfs/dbraw/zinc/76/00/59/461760059.db2.gz PLAKDXICPJYMJX-HUUCEWRRSA-N 2 1 346.906 3.438 20 0 EGADMP Clc1ccc2ncc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543662 461760096 /nfs/dbraw/zinc/76/00/96/461760096.db2.gz QYDICFSGNWZTKV-GJZGRUSLSA-N 2 1 332.879 3.199 20 0 EGADMP CO[C@H]1CCC[NH+](CCC(C)CC[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000663758703 461792760 /nfs/dbraw/zinc/79/27/60/461792760.db2.gz ADUDPYSOGOQMRQ-PMACEKPBSA-N 2 1 340.552 3.405 20 0 EGADMP Fc1cc(Br)cc2c1CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000647891488 461872472 /nfs/dbraw/zinc/87/24/72/461872472.db2.gz JGQUJIWGRGLQCL-UHFFFAOYSA-N 2 1 341.268 3.336 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)C1 ZINC000650705555 461898132 /nfs/dbraw/zinc/89/81/32/461898132.db2.gz LGIVYSMYETXBKA-INMHGKMJSA-N 2 1 340.414 3.006 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000650705812 461898617 /nfs/dbraw/zinc/89/86/17/461898617.db2.gz XCUORRBQIUHDEW-BFYDXBDKSA-N 2 1 342.405 3.424 20 0 EGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650706755 461898904 /nfs/dbraw/zinc/89/89/04/461898904.db2.gz RTNAIRJDAGSAOH-NSHGMRRFSA-N 2 1 332.488 3.192 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000650706298 461899615 /nfs/dbraw/zinc/89/96/15/461899615.db2.gz ICYJZOKORRPALS-CKEIUWERSA-N 2 1 326.843 3.197 20 0 EGADMP Cc1ccc2cc(C[N@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)ccc2n1 ZINC000650707309 461899746 /nfs/dbraw/zinc/89/97/46/461899746.db2.gz CRLCOIWORFIVNU-QKNQBKEWSA-N 2 1 339.483 3.262 20 0 EGADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707156 461900485 /nfs/dbraw/zinc/90/04/85/461900485.db2.gz ZOTQMAWBSHQJTL-QANKJYHBSA-N 2 1 338.879 3.067 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C/C=C/c3ccc(F)cc3F)C2)C1 ZINC000650707605 461900883 /nfs/dbraw/zinc/90/08/83/461900883.db2.gz JGAFJUVIEZGDFX-MFMPXEGWSA-N 2 1 336.426 3.196 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3nc4ccc(F)cc4s3)C2)C1 ZINC000650707442 461902230 /nfs/dbraw/zinc/90/22/30/461902230.db2.gz GKWGUFFICJNBLK-JGGQBBKZSA-N 2 1 349.475 3.154 20 0 EGADMP COc1sc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1Br ZINC000666997080 461904580 /nfs/dbraw/zinc/90/45/80/461904580.db2.gz WDLJYQHJNWVCGW-JTQLQIEISA-N 2 1 345.306 3.284 20 0 EGADMP CSc1ccc(NC(=O)[C@@H](C)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660655146 461905727 /nfs/dbraw/zinc/90/57/27/461905727.db2.gz KOIODGXQJDNFEW-BEFAXECRSA-N 2 1 347.528 3.153 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1OC(F)F ZINC000666999463 461905652 /nfs/dbraw/zinc/90/56/52/461905652.db2.gz KMJHOJFFLGXXAR-ZDUSSCGKSA-N 2 1 326.387 3.061 20 0 EGADMP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc(Cl)c1OC ZINC000650711360 461905696 /nfs/dbraw/zinc/90/56/96/461905696.db2.gz QWZHRGUHNJTDTJ-DOMZBBRYSA-N 2 1 326.868 3.307 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc(Cl)c1OC ZINC000650711360 461905700 /nfs/dbraw/zinc/90/57/00/461905700.db2.gz QWZHRGUHNJTDTJ-DOMZBBRYSA-N 2 1 326.868 3.307 20 0 EGADMP Clc1ccc(-n2cc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)cn2)cc1 ZINC000666998311 461905923 /nfs/dbraw/zinc/90/59/23/461905923.db2.gz NJIFKJJCXZYARM-INIZCTEOSA-N 2 1 330.863 3.290 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2csc(-c3ccco3)n2)C1 ZINC000650723859 461916218 /nfs/dbraw/zinc/91/62/18/461916218.db2.gz VBYSSYBPRVKMFY-FRFSOERESA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2csc(-c3ccco3)n2)C1 ZINC000650723859 461916222 /nfs/dbraw/zinc/91/62/22/461916222.db2.gz VBYSSYBPRVKMFY-FRFSOERESA-N 2 1 347.484 3.264 20 0 EGADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975426 461916707 /nfs/dbraw/zinc/91/67/07/461916707.db2.gz AFWQPZAKEKZRSG-BZSNNMDCSA-N 2 1 329.488 3.034 20 0 EGADMP COc1ccc(OCCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975889 461917850 /nfs/dbraw/zinc/91/78/50/461917850.db2.gz HHHWLLWQABMRNI-MSOLQXFVSA-N 2 1 332.488 3.176 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@H]1C[NH3+] ZINC000667039612 461924392 /nfs/dbraw/zinc/92/43/92/461924392.db2.gz ZUPWQKWSPGWLMK-GDBMZVCRSA-N 2 1 338.455 3.250 20 0 EGADMP C[C@@H](NCc1ccc(C[NH3+])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000650754215 461934922 /nfs/dbraw/zinc/93/49/22/461934922.db2.gz DDPWVSCZADZUJU-OXQOHEQNSA-N 2 1 341.474 3.285 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000650754215 461934930 /nfs/dbraw/zinc/93/49/30/461934930.db2.gz DDPWVSCZADZUJU-OXQOHEQNSA-N 3 1 341.474 3.285 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000650754215 461934936 /nfs/dbraw/zinc/93/49/36/461934936.db2.gz DDPWVSCZADZUJU-OXQOHEQNSA-N 3 1 341.474 3.285 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(Cc2ccccc2)CC1 ZINC000644603904 462006871 /nfs/dbraw/zinc/00/68/71/462006871.db2.gz UPXSBAUDHOXPDG-OAQYLSRUSA-N 2 1 338.495 3.092 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(Cc2ccccc2)CC1 ZINC000644603904 462006878 /nfs/dbraw/zinc/00/68/78/462006878.db2.gz UPXSBAUDHOXPDG-OAQYLSRUSA-N 2 1 338.495 3.092 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000644653117 462024291 /nfs/dbraw/zinc/02/42/91/462024291.db2.gz VDUXGBSLBVDHCL-FCHUYYIVSA-N 2 1 338.495 3.263 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000644653117 462024294 /nfs/dbraw/zinc/02/42/94/462024294.db2.gz VDUXGBSLBVDHCL-FCHUYYIVSA-N 2 1 338.495 3.263 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657310347 462034702 /nfs/dbraw/zinc/03/47/02/462034702.db2.gz CCJFZPBFOYJOOL-NQIIRXRSSA-N 2 1 346.515 3.456 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(C(F)(F)F)nn2C)C1 ZINC000657311939 462036630 /nfs/dbraw/zinc/03/66/30/462036630.db2.gz ZSFHUPYOTSQFAA-ZDUSSCGKSA-N 2 1 332.414 3.041 20 0 EGADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000639656609 462042205 /nfs/dbraw/zinc/04/22/05/462042205.db2.gz SXFWBTQDACEZBG-ICSRJNTNSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ncccn2)CC3)cc1 ZINC000639727484 462078546 /nfs/dbraw/zinc/07/85/46/462078546.db2.gz UEZVBXOGSGXMNP-UHFFFAOYSA-N 2 1 336.483 3.355 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2cc(Cl)cnc2o1 ZINC000648384617 462093422 /nfs/dbraw/zinc/09/34/22/462093422.db2.gz HZXAWXMCPOHTHS-DJIMGWMZSA-N 2 1 349.862 3.165 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2cc(Cl)cnc2o1 ZINC000648384617 462093429 /nfs/dbraw/zinc/09/34/29/462093429.db2.gz HZXAWXMCPOHTHS-DJIMGWMZSA-N 2 1 349.862 3.165 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(O[C@@H](C)COC)cc2)CC1 ZINC000667534041 462130641 /nfs/dbraw/zinc/13/06/41/462130641.db2.gz KMWWDULHONBYSC-KRWDZBQOSA-N 2 1 334.504 3.407 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(O[C@@H](C)COC)cc2)CC1 ZINC000667534041 462130647 /nfs/dbraw/zinc/13/06/47/462130647.db2.gz KMWWDULHONBYSC-KRWDZBQOSA-N 2 1 334.504 3.407 20 0 EGADMP C[C@H](CCCc1cccnc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000651228797 462146299 /nfs/dbraw/zinc/14/62/99/462146299.db2.gz CIUGWIQDSOIGEK-XLIONFOSSA-N 2 1 331.504 3.026 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000657537993 462171624 /nfs/dbraw/zinc/17/16/24/462171624.db2.gz KCNXEJCFMNOFDR-OAHLLOKOSA-N 2 1 344.890 3.417 20 0 EGADMP CN(Cc1c(C2CC2)cnn1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667620895 462177829 /nfs/dbraw/zinc/17/78/29/462177829.db2.gz UCHRQOQYRWXFGZ-SFHVURJKSA-N 2 1 338.499 3.251 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000667668592 462202235 /nfs/dbraw/zinc/20/22/35/462202235.db2.gz SJEIFOUCURTKAN-HKUYNNGSSA-N 2 1 334.504 3.407 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000667668592 462202240 /nfs/dbraw/zinc/20/22/40/462202240.db2.gz SJEIFOUCURTKAN-HKUYNNGSSA-N 2 1 334.504 3.407 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000667668592 462202244 /nfs/dbraw/zinc/20/22/44/462202244.db2.gz SJEIFOUCURTKAN-HKUYNNGSSA-N 2 1 334.504 3.407 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000667668592 462202251 /nfs/dbraw/zinc/20/22/51/462202251.db2.gz SJEIFOUCURTKAN-HKUYNNGSSA-N 2 1 334.504 3.407 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC2(CCSCC2)CC1 ZINC000639980463 462202490 /nfs/dbraw/zinc/20/24/90/462202490.db2.gz YRZIMJXLPQLQPG-LJQANCHMSA-N 2 1 348.556 3.089 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC2(CCSCC2)CC1 ZINC000639980463 462202495 /nfs/dbraw/zinc/20/24/95/462202495.db2.gz YRZIMJXLPQLQPG-LJQANCHMSA-N 2 1 348.556 3.089 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000667676920 462208726 /nfs/dbraw/zinc/20/87/26/462208726.db2.gz CJEYGLNCLBOAGE-HKUYNNGSSA-N 2 1 334.504 3.264 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000667676920 462208735 /nfs/dbraw/zinc/20/87/35/462208735.db2.gz CJEYGLNCLBOAGE-HKUYNNGSSA-N 2 1 334.504 3.264 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000667676920 462208741 /nfs/dbraw/zinc/20/87/41/462208741.db2.gz CJEYGLNCLBOAGE-HKUYNNGSSA-N 2 1 334.504 3.264 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000667676920 462208745 /nfs/dbraw/zinc/20/87/45/462208745.db2.gz CJEYGLNCLBOAGE-HKUYNNGSSA-N 2 1 334.504 3.264 20 0 EGADMP C[C@H](CCNC(=O)Nc1cccc(C[NH3+])c1)[N@@H+](C)Cc1ccccc1 ZINC000667725199 462232551 /nfs/dbraw/zinc/23/25/51/462232551.db2.gz AUZXEXNGRYGTMK-MRXNPFEDSA-N 2 1 340.471 3.177 20 0 EGADMP Cc1cc(NC(=O)N(C)CCCC[NH+]2CCCCC2)cn2cc[nH+]c12 ZINC000640158741 462287600 /nfs/dbraw/zinc/28/76/00/462287600.db2.gz YUNRZGNTLFAHKS-UHFFFAOYSA-N 2 1 343.475 3.373 20 0 EGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000651682437 462302418 /nfs/dbraw/zinc/30/24/18/462302418.db2.gz ZLZFFHBVWAMAQQ-KRWDZBQOSA-N 2 1 326.488 3.311 20 0 EGADMP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000657874050 462304567 /nfs/dbraw/zinc/30/45/67/462304567.db2.gz XYFTZZRLDKPENZ-IBGZPJMESA-N 2 1 343.559 3.114 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@]2(C)C2CCCCC2)CC1 ZINC000640220826 462318979 /nfs/dbraw/zinc/31/89/79/462318979.db2.gz YHECLGRIHROYMT-HXUWFJFHSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCC[N@H+]3CCCC3(C)C)ccc21 ZINC000640222262 462320240 /nfs/dbraw/zinc/32/02/40/462320240.db2.gz LXRPZWGRCWGGLR-GOSISDBHSA-N 2 1 344.503 3.231 20 0 EGADMP CC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000665290450 462387451 /nfs/dbraw/zinc/38/74/51/462387451.db2.gz AGNZLTZXDGEHSA-CYBMUJFWSA-N 2 1 341.242 3.189 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(COC[C@H]2CCCO2)c1)c1c[nH+]ccc1N ZINC000665294621 462388577 /nfs/dbraw/zinc/38/85/77/462388577.db2.gz SBBRMOQNYSAGSV-CRAIPNDOSA-N 2 1 341.455 3.041 20 0 EGADMP C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533976 462432261 /nfs/dbraw/zinc/43/22/61/462432261.db2.gz YRTJHDZPIFZCTH-INIZCTEOSA-N 2 1 342.487 3.332 20 0 EGADMP C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533976 462432268 /nfs/dbraw/zinc/43/22/68/462432268.db2.gz YRTJHDZPIFZCTH-INIZCTEOSA-N 2 1 342.487 3.332 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652138526 462446199 /nfs/dbraw/zinc/44/61/99/462446199.db2.gz HNYYMHDABGFJAG-WMLDXEAASA-N 2 1 348.487 3.237 20 0 EGADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1nnc2n1CCCCC2 ZINC000661939632 462478194 /nfs/dbraw/zinc/47/81/94/462478194.db2.gz MGVUYRHMSSVJHV-INIZCTEOSA-N 2 1 330.480 3.031 20 0 EGADMP CC(C)([NH3+])CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000649328841 462479734 /nfs/dbraw/zinc/47/97/34/462479734.db2.gz LKZJSQHRCYKQRC-OAQYLSRUSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccnc(Cl)c3)CC2)C[C@H](C)O1 ZINC000171304061 533923843 /nfs/dbraw/zinc/92/38/43/533923843.db2.gz GTMWBEAZIRJNRE-GJZGRUSLSA-N 2 1 337.895 3.056 20 0 EGADMP [NH3+]CCCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000168779858 534598883 /nfs/dbraw/zinc/59/88/83/534598883.db2.gz MHPDSNFODGPNOQ-IHWFROFDSA-N 2 1 343.515 3.207 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000164603613 534767981 /nfs/dbraw/zinc/76/79/81/534767981.db2.gz LEHJMHRGNOAAHD-OAHLLOKOSA-N 2 1 342.443 3.279 20 0 EGADMP C/C(=C\c1ccccc1)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000180992083 527533972 /nfs/dbraw/zinc/53/39/72/527533972.db2.gz DPDCCZDWJTVPQA-MKRMIXIUSA-N 2 1 336.479 3.446 20 0 EGADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(Cl)s2)CC1 ZINC000154468122 529143769 /nfs/dbraw/zinc/14/37/69/529143769.db2.gz XEHAXGLJTBGAMI-AWEZNQCLSA-N 2 1 329.941 3.470 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000154453998 529144576 /nfs/dbraw/zinc/14/45/76/529144576.db2.gz PRMWGPPGLUXEMJ-LAUBAEHRSA-N 2 1 347.522 3.456 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000246577854 535079185 /nfs/dbraw/zinc/07/91/85/535079185.db2.gz YJKXLZIEIXTJKC-MSOLQXFVSA-N 2 1 341.503 3.286 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@H]3C3CCOCC3)sc2C1 ZINC000346283274 535252099 /nfs/dbraw/zinc/25/20/99/535252099.db2.gz NWUKEWRCBBZTSV-KRWDZBQOSA-N 2 1 349.544 3.301 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@H]3C3CCOCC3)sc2C1 ZINC000346283274 535252104 /nfs/dbraw/zinc/25/21/04/535252104.db2.gz NWUKEWRCBBZTSV-KRWDZBQOSA-N 2 1 349.544 3.301 20 0 EGADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@H]3C3CCOCC3)sc2C1 ZINC000346283274 535252107 /nfs/dbraw/zinc/25/21/07/535252107.db2.gz NWUKEWRCBBZTSV-KRWDZBQOSA-N 2 1 349.544 3.301 20 0 EGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@H]3C3CCOCC3)sc2C1 ZINC000346283274 535252109 /nfs/dbraw/zinc/25/21/09/535252109.db2.gz NWUKEWRCBBZTSV-KRWDZBQOSA-N 2 1 349.544 3.301 20 0 EGADMP CC[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)[NH+](CC)CC ZINC000357966025 535430917 /nfs/dbraw/zinc/43/09/17/535430917.db2.gz UYDYHUMDKRIYHL-INIZCTEOSA-N 2 1 325.884 3.461 20 0 EGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCOC1 ZINC000358028533 535920902 /nfs/dbraw/zinc/92/09/02/535920902.db2.gz XZWUCMRXFZJXOC-OVQGTLEDSA-N 2 1 346.515 3.201 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000265024789 535965456 /nfs/dbraw/zinc/96/54/56/535965456.db2.gz TVHKGFBSVSEYRW-LJQANCHMSA-N 2 1 325.456 3.044 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000265024789 535965461 /nfs/dbraw/zinc/96/54/61/535965461.db2.gz TVHKGFBSVSEYRW-LJQANCHMSA-N 2 1 325.456 3.044 20 0 EGADMP c1csc(C[NH+]2CCC[C@H](CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000166404688 546987632 /nfs/dbraw/zinc/98/76/32/546987632.db2.gz CWRWGCPATRGMIF-KZNAEPCWSA-N 3 1 333.545 3.177 20 0 EGADMP c1csc(C[N@H+]2CCC[C@H](CN[C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)c1 ZINC000166404688 546987637 /nfs/dbraw/zinc/98/76/37/546987637.db2.gz CWRWGCPATRGMIF-KZNAEPCWSA-N 3 1 333.545 3.177 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@H](CN[C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)c1 ZINC000166404688 546987643 /nfs/dbraw/zinc/98/76/43/546987643.db2.gz CWRWGCPATRGMIF-KZNAEPCWSA-N 3 1 333.545 3.177 20 0 EGADMP c1csc(CN2CCC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000166404688 546987650 /nfs/dbraw/zinc/98/76/50/546987650.db2.gz CWRWGCPATRGMIF-KZNAEPCWSA-N 2 1 333.545 3.177 20 0 EGADMP c1csc(CN2CCC[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000166404688 546987655 /nfs/dbraw/zinc/98/76/55/546987655.db2.gz CWRWGCPATRGMIF-KZNAEPCWSA-N 2 1 333.545 3.177 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166190571 546988394 /nfs/dbraw/zinc/98/83/94/546988394.db2.gz BUJHVWVGJQQOPQ-WOJBJXKFSA-N 3 1 345.531 3.124 20 0 EGADMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166190571 546988396 /nfs/dbraw/zinc/98/83/96/546988396.db2.gz BUJHVWVGJQQOPQ-WOJBJXKFSA-N 2 1 345.531 3.124 20 0 EGADMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166190571 546988400 /nfs/dbraw/zinc/98/84/00/546988400.db2.gz BUJHVWVGJQQOPQ-WOJBJXKFSA-N 2 1 345.531 3.124 20 0 EGADMP Cc1cccc(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000280566184 547373283 /nfs/dbraw/zinc/37/32/83/547373283.db2.gz LHEUQGKVALRRJX-KSEOMHKRSA-N 2 1 335.495 3.433 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](CN[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000310105350 547461395 /nfs/dbraw/zinc/46/13/95/547461395.db2.gz ZVTAWAYTXSJABZ-HKBOAZHASA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](CN[C@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000310105350 547461402 /nfs/dbraw/zinc/46/14/02/547461402.db2.gz ZVTAWAYTXSJABZ-HKBOAZHASA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN[C@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000310105350 547461408 /nfs/dbraw/zinc/46/14/08/547461408.db2.gz ZVTAWAYTXSJABZ-HKBOAZHASA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000310105350 547461411 /nfs/dbraw/zinc/46/14/11/547461411.db2.gz ZVTAWAYTXSJABZ-HKBOAZHASA-N 3 1 327.516 3.115 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000310105350 547461415 /nfs/dbraw/zinc/46/14/15/547461415.db2.gz ZVTAWAYTXSJABZ-HKBOAZHASA-N 3 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000310105350 547461421 /nfs/dbraw/zinc/46/14/21/547461421.db2.gz ZVTAWAYTXSJABZ-HKBOAZHASA-N 3 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000310105350 547461426 /nfs/dbraw/zinc/46/14/26/547461426.db2.gz ZVTAWAYTXSJABZ-HKBOAZHASA-N 3 1 327.516 3.115 20 0 EGADMP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000339068648 547568449 /nfs/dbraw/zinc/56/84/49/547568449.db2.gz RYTYMNCOMLEZHL-YESZJQIVSA-N 2 1 349.906 3.144 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000339352079 547575256 /nfs/dbraw/zinc/57/52/56/547575256.db2.gz IHCRLXUNLGUXGB-KRWDZBQOSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C(C)(C)C ZINC000343539505 547602742 /nfs/dbraw/zinc/60/27/42/547602742.db2.gz WBMXXFJTPVFKKM-SFHVURJKSA-N 2 1 339.568 3.370 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000398106986 547837545 /nfs/dbraw/zinc/83/75/45/547837545.db2.gz MXLWDQCFMWSHAT-KPACCLEDSA-N 2 1 327.516 3.160 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CN1Cc1ccccc1 ZINC000398106986 547837549 /nfs/dbraw/zinc/83/75/49/547837549.db2.gz MXLWDQCFMWSHAT-KPACCLEDSA-N 2 1 327.516 3.160 20 0 EGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414852786 547860520 /nfs/dbraw/zinc/86/05/20/547860520.db2.gz RRCJDWDYEQCSRR-ZDUSSCGKSA-N 2 1 336.277 3.460 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]Cc2cccc(-c3ccccc3)c2)CC1(C)C ZINC000441337235 547914612 /nfs/dbraw/zinc/91/46/12/547914612.db2.gz QQGOXCPVGRJSHP-UHFFFAOYSA-N 2 1 337.511 3.469 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OCCC(C)C ZINC000584594098 548097543 /nfs/dbraw/zinc/09/75/43/548097543.db2.gz RXDCNSGVGFNMEJ-ROUUACIJSA-N 2 1 332.488 3.161 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OCCC(C)C ZINC000584594098 548097547 /nfs/dbraw/zinc/09/75/47/548097547.db2.gz RXDCNSGVGFNMEJ-ROUUACIJSA-N 2 1 332.488 3.161 20 0 EGADMP Cc1ccc(CNC(=O)Nc2c(C)ccnc2C)c(N2CCCC2)[nH+]1 ZINC000672765210 548474932 /nfs/dbraw/zinc/47/49/32/548474932.db2.gz BOWQCCBRNCMJOG-UHFFFAOYSA-N 2 1 339.443 3.324 20 0 EGADMP COc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000675883259 548996702 /nfs/dbraw/zinc/99/67/02/548996702.db2.gz ZDRNYDNWXJOHRU-DYESRHJHSA-N 2 1 346.515 3.249 20 0 EGADMP COc1ccc(C[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000678121558 549400864 /nfs/dbraw/zinc/40/08/64/549400864.db2.gz SSRCIXAMOUTLEK-UHFFFAOYSA-N 2 1 328.456 3.268 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOc3ccccc3C2)cc1 ZINC000678196483 549423749 /nfs/dbraw/zinc/42/37/49/549423749.db2.gz VPSWGVBYYDSYGY-UHFFFAOYSA-N 2 1 326.440 3.022 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCOc3ccccc3C2)cc1 ZINC000678196483 549423752 /nfs/dbraw/zinc/42/37/52/549423752.db2.gz VPSWGVBYYDSYGY-UHFFFAOYSA-N 2 1 326.440 3.022 20 0 EGADMP CCC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)CC(C)(C)O ZINC000678238679 549438317 /nfs/dbraw/zinc/43/83/17/549438317.db2.gz CSRPJHBDHHXAQY-UHFFFAOYSA-N 2 1 334.504 3.144 20 0 EGADMP COc1ccccc1CC[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678241712 549439878 /nfs/dbraw/zinc/43/98/78/549439878.db2.gz YQSZRHZBBSSPIK-UHFFFAOYSA-N 2 1 342.483 3.310 20 0 EGADMP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CCCC[N@@H+]3C)c2)CC1 ZINC000678332500 549470641 /nfs/dbraw/zinc/47/06/41/549470641.db2.gz SPZCIUDFQXAXJC-HXUWFJFHSA-N 2 1 343.515 3.384 20 0 EGADMP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CCCC[N@H+]3C)c2)CC1 ZINC000678332500 549470645 /nfs/dbraw/zinc/47/06/45/549470645.db2.gz SPZCIUDFQXAXJC-HXUWFJFHSA-N 2 1 343.515 3.384 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)nc2C)[C@H](C)C1 ZINC000678426061 549489368 /nfs/dbraw/zinc/48/93/68/549489368.db2.gz FDXDDFVOPRCKEK-ZTNFWEORSA-N 2 1 333.520 3.486 20 0 EGADMP CC(C)Oc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000678719024 549547380 /nfs/dbraw/zinc/54/73/80/549547380.db2.gz FVNOPJLAQLZZLT-HXUWFJFHSA-N 2 1 345.531 3.074 20 0 EGADMP C[N@@H+](Cc1ccc2ccccc2c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678719839 549547494 /nfs/dbraw/zinc/54/74/94/549547494.db2.gz PJUMGFUJUBNQRE-JOCHJYFZSA-N 2 1 337.511 3.440 20 0 EGADMP C[N@@H+](Cc1cc2ccccc2o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678722101 549548519 /nfs/dbraw/zinc/54/85/19/549548519.db2.gz TXKLYLAHTVRHBR-SFHVURJKSA-N 2 1 327.472 3.033 20 0 EGADMP Fc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000678772244 549557828 /nfs/dbraw/zinc/55/78/28/549557828.db2.gz VXAHVOADUOLYDX-AZUAARDMSA-N 2 1 332.463 3.436 20 0 EGADMP c1cc2c(nc[nH+]c2N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH]1 ZINC000680074688 549816399 /nfs/dbraw/zinc/81/63/99/549816399.db2.gz XJASGBJRMHLZAX-RYQLBKOJSA-N 2 1 333.439 3.280 20 0 EGADMP c1cc2c(nc[nH+]c2N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH]1 ZINC000680074688 549816402 /nfs/dbraw/zinc/81/64/02/549816402.db2.gz XJASGBJRMHLZAX-RYQLBKOJSA-N 2 1 333.439 3.280 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000680385523 549860324 /nfs/dbraw/zinc/86/03/24/549860324.db2.gz NWHGTUARTIWTGG-FGZHOGPDSA-N 2 1 338.495 3.090 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000680385523 549860327 /nfs/dbraw/zinc/86/03/27/549860327.db2.gz NWHGTUARTIWTGG-FGZHOGPDSA-N 2 1 338.495 3.090 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000680385524 549860379 /nfs/dbraw/zinc/86/03/79/549860379.db2.gz NWHGTUARTIWTGG-VXKWHMMOSA-N 2 1 338.495 3.090 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000680385524 549860381 /nfs/dbraw/zinc/86/03/81/549860381.db2.gz NWHGTUARTIWTGG-VXKWHMMOSA-N 2 1 338.495 3.090 20 0 EGADMP C[N@@H+](Cc1ccncc1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000680479357 549870290 /nfs/dbraw/zinc/87/02/90/549870290.db2.gz KWZJFNGITZESAO-UHFFFAOYSA-N 2 1 325.456 3.188 20 0 EGADMP CC[C@]1(CO)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000681755891 550033140 /nfs/dbraw/zinc/03/31/40/550033140.db2.gz ZRCRKDNOKQPJQE-NRFANRHFSA-N 2 1 346.515 3.146 20 0 EGADMP COc1cc(C)c([C@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000682070148 550068468 /nfs/dbraw/zinc/06/84/68/550068468.db2.gz KIWQEJMWLVUVOF-MSOLQXFVSA-N 2 1 348.531 3.398 20 0 EGADMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000682912781 550162519 /nfs/dbraw/zinc/16/25/19/550162519.db2.gz JZFYFVSXNBOJEY-RBUKOAKNSA-N 2 1 344.547 3.420 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccnn1C ZINC000683692208 550254616 /nfs/dbraw/zinc/25/46/16/550254616.db2.gz MZXMYZYJBAEHRW-MTFMMBMASA-N 2 1 338.499 3.371 20 0 EGADMP CCCCC[C@@H](C)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000742574827 576790367 /nfs/dbraw/zinc/79/03/67/576790367.db2.gz WETAXGGGZYAFJM-MRXNPFEDSA-N 2 1 332.492 3.378 20 0 EGADMP Cc1nc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)sc1C ZINC000743498282 576810482 /nfs/dbraw/zinc/81/04/82/576810482.db2.gz PIAQQRWSADKXPY-UHFFFAOYSA-N 2 1 333.501 3.380 20 0 EGADMP C[C@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000687959646 1298121763 /nfs/dbraw/zinc/12/17/63/1298121763.db2.gz NHOMXSMTKBTVCW-INIZCTEOSA-N 2 1 341.524 3.100 20 0 EGADMP C[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCN1Cc1ccccc1 ZINC000687959646 1298121768 /nfs/dbraw/zinc/12/17/68/1298121768.db2.gz NHOMXSMTKBTVCW-INIZCTEOSA-N 2 1 341.524 3.100 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCN1Cc1ccccc1 ZINC000687959646 1298121774 /nfs/dbraw/zinc/12/17/74/1298121774.db2.gz NHOMXSMTKBTVCW-INIZCTEOSA-N 2 1 341.524 3.100 20 0 EGADMP C[C@H]1C[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC[NH2+]1 ZINC000691736556 1298137833 /nfs/dbraw/zinc/13/78/33/1298137833.db2.gz WWMSBSZDJSKPLW-AZUAARDMSA-N 3 1 327.516 3.115 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000063917403 1292031390 /nfs/dbraw/zinc/03/13/90/1292031390.db2.gz GKLLENLLNWGQQN-HNNXBMFYSA-N 2 1 330.394 3.449 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000067223084 1292155146 /nfs/dbraw/zinc/15/51/46/1292155146.db2.gz RAIZKWLBGPOGKA-ZDUSSCGKSA-N 2 1 326.868 3.179 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000067223084 1292155147 /nfs/dbraw/zinc/15/51/47/1292155147.db2.gz RAIZKWLBGPOGKA-ZDUSSCGKSA-N 2 1 326.868 3.179 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000069445499 1292242850 /nfs/dbraw/zinc/24/28/50/1292242850.db2.gz HCKPCTVNPCKHBZ-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP Cc1cc(C)cc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)c1 ZINC000076400037 1292428552 /nfs/dbraw/zinc/42/85/52/1292428552.db2.gz SFWADCIDEWKHAO-UHFFFAOYSA-N 2 1 337.511 3.341 20 0 EGADMP COC(=O)N1CCC([NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000089156033 1292759144 /nfs/dbraw/zinc/75/91/44/1292759144.db2.gz HTZBWMWWHPJYBY-MRXNPFEDSA-N 2 1 345.487 3.032 20 0 EGADMP CCn1nccc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000119590457 1293278173 /nfs/dbraw/zinc/27/81/73/1293278173.db2.gz GAMQGBQJCIHTPQ-IAGOWNOFSA-N 2 1 326.488 3.149 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](CNCc2cnn(Cc3ccccc3)c2)C1 ZINC000120768351 1293337787 /nfs/dbraw/zinc/33/77/87/1293337787.db2.gz WCNJDIJXLIONMR-FQEVSTJZSA-N 2 1 340.515 3.389 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000120768351 1293337796 /nfs/dbraw/zinc/33/77/96/1293337796.db2.gz WCNJDIJXLIONMR-FQEVSTJZSA-N 2 1 340.515 3.389 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000120768351 1293337805 /nfs/dbraw/zinc/33/78/05/1293337805.db2.gz WCNJDIJXLIONMR-FQEVSTJZSA-N 2 1 340.515 3.389 20 0 EGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000120804344 1293338862 /nfs/dbraw/zinc/33/88/62/1293338862.db2.gz GGGYZTWSDDAMMQ-QGZVFWFLSA-N 2 1 325.456 3.092 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000120804344 1293338869 /nfs/dbraw/zinc/33/88/69/1293338869.db2.gz GGGYZTWSDDAMMQ-QGZVFWFLSA-N 2 1 325.456 3.092 20 0 EGADMP CCc1ccc2c(C[N@H+](C)CCCn3cc[nH+]c3C)cc(=O)oc2c1 ZINC000130597086 1293662543 /nfs/dbraw/zinc/66/25/43/1293662543.db2.gz WDZPWOOMPZPDST-UHFFFAOYSA-N 2 1 339.439 3.382 20 0 EGADMP CCc1ccc2c(C[N@@H+](C)CCCn3cc[nH+]c3C)cc(=O)oc2c1 ZINC000130597086 1293662545 /nfs/dbraw/zinc/66/25/45/1293662545.db2.gz WDZPWOOMPZPDST-UHFFFAOYSA-N 2 1 339.439 3.382 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000132206575 1293712431 /nfs/dbraw/zinc/71/24/31/1293712431.db2.gz DMBGDAZNSWRTTI-GOSISDBHSA-N 2 1 347.503 3.237 20 0 EGADMP CN(Cc1cc(=O)oc2cc3c(cc12)CCC3)C[C@H]1CCC[N@@H+](C)C1 ZINC000152424190 1293967936 /nfs/dbraw/zinc/96/79/36/1293967936.db2.gz CAKFEICXRJGWNK-HNNXBMFYSA-N 2 1 340.467 3.055 20 0 EGADMP C[NH+](Cc1cc(=O)oc2cc3c(cc12)CCC3)C[C@H]1CCC[N@H+](C)C1 ZINC000152424190 1293967949 /nfs/dbraw/zinc/96/79/49/1293967949.db2.gz CAKFEICXRJGWNK-HNNXBMFYSA-N 2 1 340.467 3.055 20 0 EGADMP C[NH+](Cc1cc(=O)oc2cc3c(cc12)CCC3)C[C@H]1CCC[N@@H+](C)C1 ZINC000152424190 1293967952 /nfs/dbraw/zinc/96/79/52/1293967952.db2.gz CAKFEICXRJGWNK-HNNXBMFYSA-N 2 1 340.467 3.055 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000156599966 1294151328 /nfs/dbraw/zinc/15/13/28/1294151328.db2.gz QGYFMUKGXBLUBK-RDHHWEPZSA-N 2 1 339.524 3.142 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)[C@H](C)C1 ZINC000187757136 1295415232 /nfs/dbraw/zinc/41/52/32/1295415232.db2.gz XODGPPFZEBTFDJ-QBPKDAKJSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@H]1C[C@H](N(C)C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000870891679 1296131398 /nfs/dbraw/zinc/13/13/98/1296131398.db2.gz HPHFZXNGLADZOK-FRYIKTPZSA-N 2 1 343.515 3.015 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000236601735 1296192462 /nfs/dbraw/zinc/19/24/62/1296192462.db2.gz JFZWGNCKEQJNKT-UHFFFAOYSA-N 2 1 326.488 3.452 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000237053080 1296218035 /nfs/dbraw/zinc/21/80/35/1296218035.db2.gz TVYGCQKGTJODKR-FUHWJXTLSA-N 2 1 331.504 3.093 20 0 EGADMP COCC[NH+]1CCC([NH2+]Cc2ccc(OCCC(C)C)cc2)CC1 ZINC000237109400 1296220563 /nfs/dbraw/zinc/22/05/63/1296220563.db2.gz LYCQTYLNAVEJFL-UHFFFAOYSA-N 2 1 334.504 3.312 20 0 EGADMP COc1ccc(Br)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261981817 1296612608 /nfs/dbraw/zinc/61/26/08/1296612608.db2.gz JGSFCMHPFOISJZ-UHFFFAOYSA-N 2 1 339.277 3.033 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CCCC2 ZINC000872035869 1296684059 /nfs/dbraw/zinc/68/40/59/1296684059.db2.gz NWYIODVHISSASJ-YJBOKZPZSA-N 2 1 332.488 3.403 20 0 EGADMP C[C@H](C(=O)N1CCCCC1)[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156492 1296776526 /nfs/dbraw/zinc/77/65/26/1296776526.db2.gz KEGBNPALZUZOEB-LMMKCTJWSA-N 2 1 335.536 3.007 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000305197366 1296995076 /nfs/dbraw/zinc/99/50/76/1296995076.db2.gz ZNLMCIMYTDQPJN-HUUCEWRRSA-N 2 1 328.909 3.259 20 0 EGADMP C[N@@H+](CCC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1)Cc1ccccc1 ZINC000309840226 1297077206 /nfs/dbraw/zinc/07/72/06/1297077206.db2.gz WLRFAWMKBYASCA-LJQANCHMSA-N 2 1 334.410 3.110 20 0 EGADMP C[C@]1(C[NH2+]C[C@@H](O)c2cccc(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310881027 1297101843 /nfs/dbraw/zinc/10/18/43/1297101843.db2.gz IEIOFCRLZMQKKG-NHCUHLMSSA-N 2 1 342.458 3.361 20 0 EGADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000311199337 1297105911 /nfs/dbraw/zinc/10/59/11/1297105911.db2.gz JRUVVWLNRSVPTO-OXJNMPFZSA-N 2 1 346.421 3.110 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)[C@@H](n2cncn2)C1 ZINC000340465263 1297313055 /nfs/dbraw/zinc/31/30/55/1297313055.db2.gz HJWAVMVDHSIVHN-BDXSIMOUSA-N 2 1 333.524 3.108 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)[C@@H](n2cncn2)C1 ZINC000340465263 1297313068 /nfs/dbraw/zinc/31/30/68/1297313068.db2.gz HJWAVMVDHSIVHN-BDXSIMOUSA-N 2 1 333.524 3.108 20 0 EGADMP c1c(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)sc2c1C[NH2+]CC2 ZINC000873205964 1297350644 /nfs/dbraw/zinc/35/06/44/1297350644.db2.gz XYZJKFGWCUFCSA-KRWDZBQOSA-N 3 1 347.572 3.482 20 0 EGADMP c1c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)sc2c1C[NH2+]CC2 ZINC000873205964 1297350658 /nfs/dbraw/zinc/35/06/58/1297350658.db2.gz XYZJKFGWCUFCSA-KRWDZBQOSA-N 3 1 347.572 3.482 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)cc1 ZINC000873263532 1297396664 /nfs/dbraw/zinc/39/66/64/1297396664.db2.gz JBHYAFZUMQZTDK-WGHHSJJZSA-N 3 1 339.527 3.302 20 0 EGADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)cc1 ZINC000873263532 1297396677 /nfs/dbraw/zinc/39/66/77/1297396677.db2.gz JBHYAFZUMQZTDK-WGHHSJJZSA-N 2 1 339.527 3.302 20 0 EGADMP C[C@H](CC[NH2+]C[C@@H](O)c1ccc(F)cc1F)[N@H+](C)Cc1ccccc1 ZINC000379632363 1297535961 /nfs/dbraw/zinc/53/59/61/1297535961.db2.gz NQJQPQHXDDARQE-FOIQADDNSA-N 2 1 348.437 3.498 20 0 EGADMP C[C@H](CC[NH2+]C[C@@H](O)c1ccc(F)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000379632363 1297535969 /nfs/dbraw/zinc/53/59/69/1297535969.db2.gz NQJQPQHXDDARQE-FOIQADDNSA-N 2 1 348.437 3.498 20 0 EGADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000379887872 1297542431 /nfs/dbraw/zinc/54/24/31/1297542431.db2.gz YKFMZVLRQLYVPI-FQEVSTJZSA-N 2 1 328.431 3.113 20 0 EGADMP CC(C)(C)OC(=O)N(CC[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)C(C)(C)C ZINC000382907142 1297566792 /nfs/dbraw/zinc/56/67/92/1297566792.db2.gz WVEOWYRDGMXRFC-JKSUJKDBSA-N 2 1 339.524 3.238 20 0 EGADMP CC(C)(C)OC(=O)N(CC[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)C(C)(C)C ZINC000382907142 1297566800 /nfs/dbraw/zinc/56/68/00/1297566800.db2.gz WVEOWYRDGMXRFC-JKSUJKDBSA-N 2 1 339.524 3.238 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400445664 1297730920 /nfs/dbraw/zinc/73/09/20/1297730920.db2.gz PNMPLJACUHLLEK-JKSUJKDBSA-N 2 1 341.540 3.342 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400445664 1297730932 /nfs/dbraw/zinc/73/09/32/1297730932.db2.gz PNMPLJACUHLLEK-JKSUJKDBSA-N 2 1 341.540 3.342 20 0 EGADMP CC(C)[C@H](C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C)[C@H](C)[NH3+] ZINC000404373742 1297751287 /nfs/dbraw/zinc/75/12/87/1297751287.db2.gz SKNPELMXKVGMEJ-IPLXSBJHSA-N 2 1 345.531 3.116 20 0 EGADMP CO[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C12CCC2 ZINC000453071490 1297889626 /nfs/dbraw/zinc/88/96/26/1297889626.db2.gz ONVFGSOKGFTNNI-ZWKOTPCHSA-N 2 1 329.419 3.367 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)C[NH2+]1 ZINC000700077460 1298174538 /nfs/dbraw/zinc/17/45/38/1298174538.db2.gz AZLQXUABIDJPHA-BZUAXINKSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000708522880 1298241330 /nfs/dbraw/zinc/24/13/30/1298241330.db2.gz YFRBMEASWZHOLG-MJGOQNOKSA-N 2 1 344.499 3.030 20 0 EGADMP C[C@@H]1CCC[C@@H](C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000711807226 1298261187 /nfs/dbraw/zinc/26/11/87/1298261187.db2.gz CGTYVZBZVSTWKU-NRSPTQNISA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1CCC[C@@H](C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000711807226 1298261192 /nfs/dbraw/zinc/26/11/92/1298261192.db2.gz CGTYVZBZVSTWKU-NRSPTQNISA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1CCC[C@@H](C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000711807226 1298261196 /nfs/dbraw/zinc/26/11/96/1298261196.db2.gz CGTYVZBZVSTWKU-NRSPTQNISA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1CCC[C@@H](C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000711807226 1298261205 /nfs/dbraw/zinc/26/12/05/1298261205.db2.gz CGTYVZBZVSTWKU-NRSPTQNISA-N 2 1 330.516 3.382 20 0 EGADMP Cc1ccc([C@@H](O)C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)o1 ZINC000747099568 1298726734 /nfs/dbraw/zinc/72/67/34/1298726734.db2.gz GDKUBBOWTWVPMC-SFHVURJKSA-N 2 1 330.472 3.369 20 0 EGADMP Cc1ccc([C@@H](O)C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)o1 ZINC000747099568 1298726738 /nfs/dbraw/zinc/72/67/38/1298726738.db2.gz GDKUBBOWTWVPMC-SFHVURJKSA-N 2 1 330.472 3.369 20 0 EGADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877154476 1299185253 /nfs/dbraw/zinc/18/52/53/1299185253.db2.gz RCAHQSQCYGPSOX-SLYNCCJLSA-N 2 1 327.516 3.428 20 0 EGADMP C[C@@H]1CCC[NH+]1CCN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877154476 1299185256 /nfs/dbraw/zinc/18/52/56/1299185256.db2.gz RCAHQSQCYGPSOX-SLYNCCJLSA-N 2 1 327.516 3.428 20 0 EGADMP C[C@@H]1CCC[NH+]1CCN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877154476 1299185261 /nfs/dbraw/zinc/18/52/61/1299185261.db2.gz RCAHQSQCYGPSOX-SLYNCCJLSA-N 2 1 327.516 3.428 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(Cl)nn1 ZINC000877325240 1299249079 /nfs/dbraw/zinc/24/90/79/1299249079.db2.gz NGDBYPFPRFGDPS-UHFFFAOYSA-N 2 1 345.878 3.264 20 0 EGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC000877482804 1299333767 /nfs/dbraw/zinc/33/37/67/1299333767.db2.gz GYKZKLGAUOSWHE-IYBDPMFKSA-N 2 1 331.460 3.027 20 0 EGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC000877482804 1299333774 /nfs/dbraw/zinc/33/37/74/1299333774.db2.gz GYKZKLGAUOSWHE-IYBDPMFKSA-N 2 1 331.460 3.027 20 0 EGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC000877482804 1299333785 /nfs/dbraw/zinc/33/37/85/1299333785.db2.gz GYKZKLGAUOSWHE-IYBDPMFKSA-N 2 1 331.460 3.027 20 0 EGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC000877482804 1299333796 /nfs/dbraw/zinc/33/37/96/1299333796.db2.gz GYKZKLGAUOSWHE-IYBDPMFKSA-N 2 1 331.460 3.027 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCc4ccncc4)cc3)CC[C@@H]21 ZINC000877742922 1299518581 /nfs/dbraw/zinc/51/85/81/1299518581.db2.gz HMUGENPDFGVJLS-CTNGQTDRSA-N 2 1 337.467 3.187 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCc4ccncc4)cc3)CC[C@@H]21 ZINC000877742922 1299518585 /nfs/dbraw/zinc/51/85/85/1299518585.db2.gz HMUGENPDFGVJLS-CTNGQTDRSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(OCc4ccncc4)cc3)CC[C@@H]21 ZINC000877742922 1299518587 /nfs/dbraw/zinc/51/85/87/1299518587.db2.gz HMUGENPDFGVJLS-CTNGQTDRSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OCc4ccncc4)cc3)CC[C@@H]21 ZINC000877742922 1299518590 /nfs/dbraw/zinc/51/85/90/1299518590.db2.gz HMUGENPDFGVJLS-CTNGQTDRSA-N 2 1 337.467 3.187 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000755064279 1300277995 /nfs/dbraw/zinc/27/79/95/1300277995.db2.gz KKUZOBWNFKNNED-SJORKVTESA-N 2 1 341.540 3.344 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000755064279 1300277996 /nfs/dbraw/zinc/27/79/96/1300277996.db2.gz KKUZOBWNFKNNED-SJORKVTESA-N 2 1 341.540 3.344 20 0 EGADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000756096588 1300438339 /nfs/dbraw/zinc/43/83/39/1300438339.db2.gz AXVRSWQIZCUJBS-HZPDHXFCSA-N 2 1 346.475 3.145 20 0 EGADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000756096588 1300438343 /nfs/dbraw/zinc/43/83/43/1300438343.db2.gz AXVRSWQIZCUJBS-HZPDHXFCSA-N 2 1 346.475 3.145 20 0 EGADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000756098754 1300438603 /nfs/dbraw/zinc/43/86/03/1300438603.db2.gz ZPWQERRUISTXAQ-HNNXBMFYSA-N 2 1 346.475 3.003 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000759046031 1301003777 /nfs/dbraw/zinc/00/37/77/1301003777.db2.gz DNKKQQOIXNYWTR-JDFRZJQESA-N 2 1 328.859 3.317 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000759046031 1301003787 /nfs/dbraw/zinc/00/37/87/1301003787.db2.gz DNKKQQOIXNYWTR-JDFRZJQESA-N 2 1 328.859 3.317 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000759046031 1301003802 /nfs/dbraw/zinc/00/38/02/1301003802.db2.gz DNKKQQOIXNYWTR-JDFRZJQESA-N 2 1 328.859 3.317 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000759046031 1301003813 /nfs/dbraw/zinc/00/38/13/1301003813.db2.gz DNKKQQOIXNYWTR-JDFRZJQESA-N 2 1 328.859 3.317 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC000763069504 1301818646 /nfs/dbraw/zinc/81/86/46/1301818646.db2.gz OBLCDUFDNHDILG-UHFFFAOYSA-N 2 1 345.531 3.409 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC(C)([NH+]2CCC2)CC1)c1ccc(Cl)cc1 ZINC000882510697 1301999062 /nfs/dbraw/zinc/99/90/62/1301999062.db2.gz IDVZBNBQBRNKGW-KRWDZBQOSA-N 2 1 349.906 3.030 20 0 EGADMP C[C@H](CC[NH2+]Cc1ccc2oc(=O)oc2c1)[N@H+](C)Cc1ccccc1 ZINC000883026913 1302212226 /nfs/dbraw/zinc/21/22/26/1302212226.db2.gz JKUQAOGVDYPJDE-OAHLLOKOSA-N 2 1 340.423 3.386 20 0 EGADMP C[C@H](CC[NH2+]Cc1ccc2oc(=O)oc2c1)[N@@H+](C)Cc1ccccc1 ZINC000883026913 1302212228 /nfs/dbraw/zinc/21/22/28/1302212228.db2.gz JKUQAOGVDYPJDE-OAHLLOKOSA-N 2 1 340.423 3.386 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000765349804 1302251741 /nfs/dbraw/zinc/25/17/41/1302251741.db2.gz NOHQOHFCKDMBKE-UHOFOFEASA-N 2 1 330.394 3.059 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(Br)cc2F)CC[N@H+]1C ZINC000765872598 1302344225 /nfs/dbraw/zinc/34/42/25/1302344225.db2.gz XKVBIXFGOQSBLN-BXUZGUMPSA-N 2 1 329.257 3.203 20 0 EGADMP C[C@H]([NH2+]CCO[C@@H]1CCCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000769785527 1303173766 /nfs/dbraw/zinc/17/37/66/1303173766.db2.gz CSKITRLPCACBGH-YSIASYRMSA-N 2 1 332.488 3.030 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000886606954 1303521454 /nfs/dbraw/zinc/52/14/54/1303521454.db2.gz IWFKUKNCZJRGJC-GUDVDZBRSA-N 2 1 344.499 3.218 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000886606954 1303521457 /nfs/dbraw/zinc/52/14/57/1303521457.db2.gz IWFKUKNCZJRGJC-GUDVDZBRSA-N 2 1 344.499 3.218 20 0 EGADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2nccn2C)ccc1OC ZINC000775381016 1303951431 /nfs/dbraw/zinc/95/14/31/1303951431.db2.gz PRLIVXPXISTHAY-OAHLLOKOSA-N 2 1 330.476 3.121 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000775754816 1304030115 /nfs/dbraw/zinc/03/01/15/1304030115.db2.gz CAJSTUZENFJRLR-UHFFFAOYSA-N 2 1 338.480 3.414 20 0 EGADMP CC[N@@H+](Cc1ccc(OC)cn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000775971944 1304072277 /nfs/dbraw/zinc/07/22/77/1304072277.db2.gz GHEQOSFNBLCUAU-IBGZPJMESA-N 2 1 339.483 3.434 20 0 EGADMP CC[N@H+](Cc1ccc(OC)cn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000775971944 1304072280 /nfs/dbraw/zinc/07/22/80/1304072280.db2.gz GHEQOSFNBLCUAU-IBGZPJMESA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](Cc1ccc(OC)cn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775971944 1304072284 /nfs/dbraw/zinc/07/22/84/1304072284.db2.gz GHEQOSFNBLCUAU-IBGZPJMESA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](Cc1ccc(OC)cn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775971944 1304072286 /nfs/dbraw/zinc/07/22/86/1304072286.db2.gz GHEQOSFNBLCUAU-IBGZPJMESA-N 2 1 339.483 3.434 20 0 EGADMP CC(C)CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1(C)C ZINC000776159637 1304103657 /nfs/dbraw/zinc/10/36/57/1304103657.db2.gz YOOVUWLTHPUHDZ-GBESFXJTSA-N 2 1 338.536 3.059 20 0 EGADMP O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccco1 ZINC000779439573 1304572316 /nfs/dbraw/zinc/57/23/16/1304572316.db2.gz NXLSLBWBEVSRCY-RDGPPVDQSA-N 2 1 326.440 3.098 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](CN3C[C@](C)(C4CCCC4)CC3=O)C2)CC1 ZINC000780438535 1304691692 /nfs/dbraw/zinc/69/16/92/1304691692.db2.gz PBKAOKODOKORKK-GHTZIAJQSA-N 2 1 347.547 3.036 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccnc(Cl)c1 ZINC000781922397 1304892168 /nfs/dbraw/zinc/89/21/68/1304892168.db2.gz HIIWHDQAZXSFMI-KBXCAEBGSA-N 2 1 345.874 3.152 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(C)(C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000782188795 1304928511 /nfs/dbraw/zinc/92/85/11/1304928511.db2.gz PYRCRIARHIPBED-HZPDHXFCSA-N 2 1 341.540 3.342 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000782188795 1304928515 /nfs/dbraw/zinc/92/85/15/1304928515.db2.gz PYRCRIARHIPBED-HZPDHXFCSA-N 2 1 341.540 3.342 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000782188795 1304928519 /nfs/dbraw/zinc/92/85/19/1304928519.db2.gz PYRCRIARHIPBED-HZPDHXFCSA-N 2 1 341.540 3.342 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cn(C)nc2C2CC2)C1 ZINC000891823727 1305179594 /nfs/dbraw/zinc/17/95/94/1305179594.db2.gz ZZTPPGIPFJBWSH-SJORKVTESA-N 2 1 330.520 3.384 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000892510615 1305413955 /nfs/dbraw/zinc/41/39/55/1305413955.db2.gz OUVNGJZHCSVMJE-JTQLQIEISA-N 2 1 332.395 3.179 20 0 EGADMP CCCSC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000893488001 1305921170 /nfs/dbraw/zinc/92/11/70/1305921170.db2.gz QCOPRRDMKAVNCF-VQIMIIECSA-N 2 1 336.545 3.265 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000788507535 1305959559 /nfs/dbraw/zinc/95/95/59/1305959559.db2.gz PLMSFRUKRWQUCB-IRXDYDNUSA-N 2 1 341.540 3.342 20 0 EGADMP COC(=O)c1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cs1 ZINC000894385490 1306370888 /nfs/dbraw/zinc/37/08/88/1306370888.db2.gz RSIMXOCWPPECGO-UHFFFAOYSA-N 2 1 344.480 3.420 20 0 EGADMP Cc1cc(N2CCC([NH2+]Cc3nccc4ccccc43)CC2)nc(C)[nH+]1 ZINC000894392870 1308853338 /nfs/dbraw/zinc/85/33/38/1308853338.db2.gz DGCCKNYHOMATGY-UHFFFAOYSA-N 2 1 347.466 3.400 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(-n2cccn2)c(F)c1 ZINC000894628909 1308987013 /nfs/dbraw/zinc/98/70/13/1308987013.db2.gz SRYJXBKRVOTJST-LNRIEFBSSA-N 2 1 328.435 3.287 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCO[C@H]3CCCCO3)CC[N@@H+]2C2CC2)cc1 ZINC000894794335 1309074276 /nfs/dbraw/zinc/07/42/76/1309074276.db2.gz OEFPJRLANYQZRV-JBACZVJFSA-N 2 1 344.499 3.487 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCO[C@H]3CCCCO3)CC[N@H+]2C2CC2)cc1 ZINC000894794335 1309074281 /nfs/dbraw/zinc/07/42/81/1309074281.db2.gz OEFPJRLANYQZRV-JBACZVJFSA-N 2 1 344.499 3.487 20 0 EGADMP COc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)ccc1OCC(F)(F)F ZINC000895297437 1309275066 /nfs/dbraw/zinc/27/50/66/1309275066.db2.gz LZNWLDBXZPBHOE-LBPRGKRZSA-N 2 1 334.382 3.066 20 0 EGADMP C[C@@H](CC[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1)[NH+](C)C ZINC000895429649 1309333235 /nfs/dbraw/zinc/33/32/35/1309333235.db2.gz RRSGYQDTVXFRQG-HNNXBMFYSA-N 2 1 335.492 3.141 20 0 EGADMP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000895602158 1309424001 /nfs/dbraw/zinc/42/40/01/1309424001.db2.gz ZXYZEMWMYCDERN-LJQANCHMSA-N 2 1 327.472 3.238 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(C)c1C1CC1 ZINC000895693871 1309469603 /nfs/dbraw/zinc/46/96/03/1309469603.db2.gz NXNKDKUUYAHJFN-OXQOHEQNSA-N 2 1 338.499 3.155 20 0 EGADMP Clc1nc2cc(Cl)ccn2c1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000796267798 1309947976 /nfs/dbraw/zinc/94/79/76/1309947976.db2.gz YZRCPFZQODHLBK-OLZOCXBDSA-N 2 1 339.270 3.358 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000796272203 1309949464 /nfs/dbraw/zinc/94/94/64/1309949464.db2.gz VCVZZVUGUBAACK-UHFFFAOYSA-N 2 1 338.242 3.326 20 0 EGADMP CCOCOc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000798956564 1310462682 /nfs/dbraw/zinc/46/26/82/1310462682.db2.gz CVASZRVWXSDLJC-UHFFFAOYSA-N 2 1 332.488 3.367 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824416769 1320256025 /nfs/dbraw/zinc/25/60/25/1320256025.db2.gz NQMKPTPRBSFGEE-IXDOHACOSA-N 2 1 341.540 3.340 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824416769 1320256030 /nfs/dbraw/zinc/25/60/30/1320256030.db2.gz NQMKPTPRBSFGEE-IXDOHACOSA-N 2 1 341.540 3.340 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001018938396 1316980893 /nfs/dbraw/zinc/98/08/93/1316980893.db2.gz MSDKWHLQTWNNLZ-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001018990959 1316995518 /nfs/dbraw/zinc/99/55/18/1316995518.db2.gz SCLNBXHVQXBXGG-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001018990958 1316995899 /nfs/dbraw/zinc/99/58/99/1316995899.db2.gz SCLNBXHVQXBXGG-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC(CC)([NH+]2CCC2)CC1)c1ccccc1 ZINC000899561933 1317090586 /nfs/dbraw/zinc/09/05/86/1317090586.db2.gz LIZHLHKYMMHSRV-IBGZPJMESA-N 2 1 343.515 3.156 20 0 EGADMP CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001019241518 1317119320 /nfs/dbraw/zinc/11/93/20/1317119320.db2.gz DIZLJVHHZITYGK-OKZBNKHCSA-N 2 1 349.906 3.076 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000957286720 1317261804 /nfs/dbraw/zinc/26/18/04/1317261804.db2.gz BGYVTGNGEGTVCJ-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)CC1 ZINC000957561143 1317458715 /nfs/dbraw/zinc/45/87/15/1317458715.db2.gz GJTAVLCFLTVQAC-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957636092 1317510632 /nfs/dbraw/zinc/51/06/32/1317510632.db2.gz XPAHYBJKVYJHTN-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001020144184 1317559558 /nfs/dbraw/zinc/55/95/58/1317559558.db2.gz TYIRPINWKSJXRK-FHWLQOOXSA-N 2 1 349.563 3.312 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1)c1ccccc1 ZINC001020143998 1317559584 /nfs/dbraw/zinc/55/95/84/1317559584.db2.gz NJKUSQWBXUAARB-WTGUMLROSA-N 2 1 343.515 3.247 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000902332287 1317564342 /nfs/dbraw/zinc/56/43/42/1317564342.db2.gz FBFTWKUKGMYBJK-WOJBJXKFSA-N 2 1 329.532 3.266 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000902332287 1317564350 /nfs/dbraw/zinc/56/43/50/1317564350.db2.gz FBFTWKUKGMYBJK-WOJBJXKFSA-N 2 1 329.532 3.266 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H](NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000902332287 1317564353 /nfs/dbraw/zinc/56/43/53/1317564353.db2.gz FBFTWKUKGMYBJK-WOJBJXKFSA-N 2 1 329.532 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001020214428 1317595821 /nfs/dbraw/zinc/59/58/21/1317595821.db2.gz STMINAKGVXDRIW-AFYVEPGGSA-N 2 1 343.515 3.167 20 0 EGADMP CCO[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1 ZINC000902800948 1317618393 /nfs/dbraw/zinc/61/83/93/1317618393.db2.gz XWXIGYQMAZUBPM-RTBURBONSA-N 2 1 349.519 3.441 20 0 EGADMP C[N@@H+](CCCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)Cc1ccccc1 ZINC000903060473 1317643474 /nfs/dbraw/zinc/64/34/74/1317643474.db2.gz ZLSTYIVDWGHMIM-VCSGRIEYSA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+](CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1ccccc1 ZINC000903060473 1317643480 /nfs/dbraw/zinc/64/34/80/1317643480.db2.gz ZLSTYIVDWGHMIM-VCSGRIEYSA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+](CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccccc1 ZINC000903060473 1317643487 /nfs/dbraw/zinc/64/34/87/1317643487.db2.gz ZLSTYIVDWGHMIM-VCSGRIEYSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@H]1Cc2ccccc2N1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903083964 1317649546 /nfs/dbraw/zinc/64/95/46/1317649546.db2.gz RNKUVXUQMFQHPA-SHFXZJCHSA-N 2 1 325.500 3.185 20 0 EGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)N1CCc2sccc2C1 ZINC000903082635 1317649731 /nfs/dbraw/zinc/64/97/31/1317649731.db2.gz UIZKWWLMMUYNFB-NMACRGETSA-N 2 1 345.556 3.242 20 0 EGADMP CC[NH+](CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccco1 ZINC000903083393 1317649757 /nfs/dbraw/zinc/64/97/57/1317649757.db2.gz GJSBWMZRRDGRSE-DQXYTYHJSA-N 2 1 331.504 3.410 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903101057 1317653736 /nfs/dbraw/zinc/65/37/36/1317653736.db2.gz ZJKMDYNZCFNRIP-AWEZNQCLSA-N 2 1 336.480 3.007 20 0 EGADMP CC(C)CC[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903105799 1317654834 /nfs/dbraw/zinc/65/48/34/1317654834.db2.gz DWFORPOZVAWEDA-VCSGRIEYSA-N 3 1 333.564 3.492 20 0 EGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)C2 ZINC000903114848 1317655494 /nfs/dbraw/zinc/65/54/94/1317655494.db2.gz IAUZEDSYKBCKMT-XTVZSAFLSA-N 2 1 338.442 3.095 20 0 EGADMP CC1CCC2(CC1)OC[C@@H](C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)O2 ZINC000903141892 1317662983 /nfs/dbraw/zinc/66/29/83/1317662983.db2.gz TVRQEEOBABWUSA-FRXDGCAESA-N 2 1 334.504 3.056 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903150678 1317664001 /nfs/dbraw/zinc/66/40/01/1317664001.db2.gz AAVZCCPECBWSBH-KUIDOIOASA-N 2 1 339.527 3.254 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903150678 1317664006 /nfs/dbraw/zinc/66/40/06/1317664006.db2.gz AAVZCCPECBWSBH-KUIDOIOASA-N 2 1 339.527 3.254 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903150678 1317664012 /nfs/dbraw/zinc/66/40/12/1317664012.db2.gz AAVZCCPECBWSBH-KUIDOIOASA-N 2 1 339.527 3.254 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903150678 1317664016 /nfs/dbraw/zinc/66/40/16/1317664016.db2.gz AAVZCCPECBWSBH-KUIDOIOASA-N 2 1 339.527 3.254 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903150678 1317664021 /nfs/dbraw/zinc/66/40/21/1317664021.db2.gz AAVZCCPECBWSBH-KUIDOIOASA-N 2 1 339.527 3.254 20 0 EGADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cc(F)cc(Cl)c1 ZINC000903158393 1317665461 /nfs/dbraw/zinc/66/54/61/1317665461.db2.gz IUJFDDKRBUXIAA-NXCDMZCRSA-N 2 1 338.854 3.260 20 0 EGADMP OC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(Cl)cc1 ZINC000903172298 1317667765 /nfs/dbraw/zinc/66/77/65/1317667765.db2.gz XHCUTRKZSDRCGT-DJXYKJKZSA-N 2 1 334.891 3.163 20 0 EGADMP Fc1ccccc1N1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903175184 1317668820 /nfs/dbraw/zinc/66/88/20/1317668820.db2.gz RFZPESPPOZWPCG-VBZNHOPUSA-N 2 1 343.490 3.399 20 0 EGADMP CC[C@H](c1ccc(F)cc1F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903508783 1317706800 /nfs/dbraw/zinc/70/68/00/1317706800.db2.gz VGVVHPDOMYVNLX-FUHIMQAGSA-N 2 1 349.469 3.317 20 0 EGADMP CC[N@H+](Cc1ccc(Cl)s1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718869 1317725001 /nfs/dbraw/zinc/72/50/01/1317725001.db2.gz SMOUOOJSFZQUSA-CYBMUJFWSA-N 2 1 328.909 3.382 20 0 EGADMP C[N@H+](Cc1csc2ccccc12)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725182 1317725508 /nfs/dbraw/zinc/72/55/08/1317725508.db2.gz XSWZEJUJQWOKRD-MRXNPFEDSA-N 2 1 330.497 3.492 20 0 EGADMP COc1ccccc1[C@@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729401 1317727654 /nfs/dbraw/zinc/72/76/54/1317727654.db2.gz MEGMHWFJGTWZED-MJGOQNOKSA-N 2 1 344.499 3.381 20 0 EGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@H]1CC3(CO1)CC[NH2+]CC3)CCC2 ZINC000903755409 1317730116 /nfs/dbraw/zinc/73/01/16/1317730116.db2.gz GQNQZDPABFCICX-ZBFHGGJFSA-N 2 1 349.544 3.173 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCc2ccc(Cl)cc21 ZINC000903765406 1317731251 /nfs/dbraw/zinc/73/12/51/1317731251.db2.gz ZMOALBODKUVYBE-LSBZLQRGSA-N 2 1 334.891 3.070 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC[N@H+]1C ZINC001020508903 1317733786 /nfs/dbraw/zinc/73/37/86/1317733786.db2.gz GHFYZVYYRSXOPX-WNHJNPCNSA-N 2 1 349.563 3.170 20 0 EGADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000903888946 1317742401 /nfs/dbraw/zinc/74/24/01/1317742401.db2.gz NGVSGDCGSZFFHD-ROUUACIJSA-N 2 1 331.508 3.137 20 0 EGADMP Cc1cccc([C@@H]2CCC[N@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)c1C ZINC000903894912 1317743140 /nfs/dbraw/zinc/74/31/40/1317743140.db2.gz HLGHOMDKZXYRGL-PXNSSMCTSA-N 2 1 339.487 3.157 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001020661093 1317841191 /nfs/dbraw/zinc/84/11/91/1317841191.db2.gz UKMRYPJKRGZYCA-IYARVYRRSA-N 2 1 346.519 3.214 20 0 EGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000904405547 1317843045 /nfs/dbraw/zinc/84/30/45/1317843045.db2.gz NNAMEYGPUHJROI-QGZVFWFLSA-N 2 1 347.466 3.105 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001020675798 1317852895 /nfs/dbraw/zinc/85/28/95/1317852895.db2.gz GGTMVVKUVBHWHB-GUDVDZBRSA-N 2 1 347.547 3.066 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H]2[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000809718448 1317874957 /nfs/dbraw/zinc/87/49/57/1317874957.db2.gz UKRQGGOHCMPVDT-YQQAZPJKSA-N 2 1 339.524 3.094 20 0 EGADMP O=C(C[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001021461609 1318266136 /nfs/dbraw/zinc/26/61/36/1318266136.db2.gz LDPUHPSZWQFULW-IHWFROFDSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC000960006318 1318309627 /nfs/dbraw/zinc/30/96/27/1318309627.db2.gz GAGBDYWCMVGCFH-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCCC[C@H]1C[NH2+]CC1CC1 ZINC000960013370 1318311155 /nfs/dbraw/zinc/31/11/55/1318311155.db2.gz MSPHYPBEEHGJEY-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCC2 ZINC000812718464 1318444100 /nfs/dbraw/zinc/44/41/00/1318444100.db2.gz LIORZTAEQAQXKM-UYAOXDASSA-N 2 1 330.472 3.003 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700564 1318572666 /nfs/dbraw/zinc/57/26/66/1318572666.db2.gz RGDDEKDFXVTDPE-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000858490761 1328777160 /nfs/dbraw/zinc/77/71/60/1328777160.db2.gz NMOMSJKDAJWZLL-JKSUJKDBSA-N 2 1 331.460 3.026 20 0 EGADMP CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021738650 1318646153 /nfs/dbraw/zinc/64/61/53/1318646153.db2.gz BKZHHBWKWQXXMM-WOJBJXKFSA-N 2 1 343.515 3.085 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001022163846 1318824796 /nfs/dbraw/zinc/82/47/96/1318824796.db2.gz AQYPZTCXNVGLOD-OTWHNJEPSA-N 2 1 349.563 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001022165245 1318825861 /nfs/dbraw/zinc/82/58/61/1318825861.db2.gz XBTHJRUZOUJWEE-OTWHNJEPSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCC1 ZINC000960720491 1318831492 /nfs/dbraw/zinc/83/14/92/1318831492.db2.gz UTWKRCOLXUFBBC-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC000960720491 1318831496 /nfs/dbraw/zinc/83/14/96/1318831496.db2.gz UTWKRCOLXUFBBC-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC000960720491 1318831503 /nfs/dbraw/zinc/83/15/03/1318831503.db2.gz UTWKRCOLXUFBBC-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001022202173 1318841244 /nfs/dbraw/zinc/84/12/44/1318841244.db2.gz SIPOPPUMBHMPFV-WSTZPKSXSA-N 2 1 347.547 3.211 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001022278000 1318871793 /nfs/dbraw/zinc/87/17/93/1318871793.db2.gz FFRUWUKKWQSPOZ-IYWMVGAKSA-N 2 1 347.547 3.211 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001022290151 1318880614 /nfs/dbraw/zinc/88/06/14/1318880614.db2.gz HBWJHZAXIJCZJQ-NKGKWGDASA-N 2 1 349.906 3.122 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001022293095 1318881601 /nfs/dbraw/zinc/88/16/01/1318881601.db2.gz QSPYOKIMTBKVPB-GNBUJSLZSA-N 2 1 343.515 3.086 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001022351050 1318902496 /nfs/dbraw/zinc/90/24/96/1318902496.db2.gz SKBRZSISVGHQNK-LMCOJAPRSA-N 2 1 343.515 3.105 20 0 EGADMP Cc1cccc(C)c1NC(=O)CCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000815143360 1318909553 /nfs/dbraw/zinc/90/95/53/1318909553.db2.gz IWGQUHFNRVSPAK-OAQYLSRUSA-N 2 1 343.515 3.440 20 0 EGADMP Cc1cccc(C)c1NC(=O)CCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815143360 1318909567 /nfs/dbraw/zinc/90/95/67/1318909567.db2.gz IWGQUHFNRVSPAK-OAQYLSRUSA-N 2 1 343.515 3.440 20 0 EGADMP Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815143360 1318909579 /nfs/dbraw/zinc/90/95/79/1318909579.db2.gz IWGQUHFNRVSPAK-OAQYLSRUSA-N 2 1 343.515 3.440 20 0 EGADMP CC(C)c1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001022712173 1319078932 /nfs/dbraw/zinc/07/89/32/1319078932.db2.gz LAADSQJATRMREJ-YTQUADARSA-N 2 1 343.515 3.031 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001022838397 1319132768 /nfs/dbraw/zinc/13/27/68/1319132768.db2.gz MUAOQQUTKOJGDC-WCIQWLHISA-N 2 1 347.547 3.211 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000961030324 1319153757 /nfs/dbraw/zinc/15/37/57/1319153757.db2.gz UPGHDDMUCXPVMZ-RBUKOAKNSA-N 2 1 343.515 3.075 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)c2ccccc21 ZINC000817890405 1319452140 /nfs/dbraw/zinc/45/21/40/1319452140.db2.gz SZCAFAOJIMGGQL-BRWVUGGUSA-N 2 1 336.357 3.473 20 0 EGADMP Fc1cccc(F)c1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817902772 1319457095 /nfs/dbraw/zinc/45/70/95/1319457095.db2.gz XZPPALBXBMKHKN-HKUYNNGSSA-N 2 1 330.378 3.310 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)c1c[nH+]ccc1N ZINC000817906428 1319457191 /nfs/dbraw/zinc/45/71/91/1319457191.db2.gz ZYMNKHAQNHDLJM-XPTSAGLGSA-N 2 1 326.227 3.185 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3COC4(CCCCC4)O3)CC[NH2+]2)cc1 ZINC000817919780 1319460332 /nfs/dbraw/zinc/46/03/32/1319460332.db2.gz YDMWCRYXROWIFL-OTWHNJEPSA-N 2 1 330.472 3.145 20 0 EGADMP C[C@](O)(C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000817918884 1319460460 /nfs/dbraw/zinc/46/04/60/1319460460.db2.gz YTRUJLIUVOQFSA-ZCNNSNEGSA-N 2 1 328.431 3.116 20 0 EGADMP COc1ccc([C@@H](C)NC2CC[NH2+]CC2)cc1C[NH+]1CCCCC1 ZINC000817934759 1319465180 /nfs/dbraw/zinc/46/51/80/1319465180.db2.gz CHDRJCGOXMIIIR-MRXNPFEDSA-N 2 1 331.504 3.084 20 0 EGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000817957321 1319476149 /nfs/dbraw/zinc/47/61/49/1319476149.db2.gz AQUUZHUZAAHJRZ-HNAYVOBHSA-N 2 1 329.488 3.372 20 0 EGADMP CC[NH+](CC)Cc1cc([C@H](C)N[C@H]2CC[NH2+][C@@H](C)C2)ccc1OC ZINC000817972063 1319480828 /nfs/dbraw/zinc/48/08/28/1319480828.db2.gz SVPNASZJWAZUCW-BXWFABGCSA-N 2 1 333.520 3.328 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCC2)C1 ZINC001023457350 1319559279 /nfs/dbraw/zinc/55/92/79/1319559279.db2.gz NMIQHLXHRLNFOE-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001023457350 1319559285 /nfs/dbraw/zinc/55/92/85/1319559285.db2.gz NMIQHLXHRLNFOE-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001023457350 1319559292 /nfs/dbraw/zinc/55/92/92/1319559292.db2.gz NMIQHLXHRLNFOE-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552896 1319663315 /nfs/dbraw/zinc/66/33/15/1319663315.db2.gz QNASSHADSWKBKY-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552896 1319663320 /nfs/dbraw/zinc/66/33/20/1319663320.db2.gz QNASSHADSWKBKY-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552896 1319663325 /nfs/dbraw/zinc/66/33/25/1319663325.db2.gz QNASSHADSWKBKY-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552897 1319663841 /nfs/dbraw/zinc/66/38/41/1319663841.db2.gz QNASSHADSWKBKY-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552897 1319663848 /nfs/dbraw/zinc/66/38/48/1319663848.db2.gz QNASSHADSWKBKY-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552897 1319663858 /nfs/dbraw/zinc/66/38/58/1319663858.db2.gz QNASSHADSWKBKY-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC(C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC000962304634 1319908693 /nfs/dbraw/zinc/90/86/93/1319908693.db2.gz AECCPDPBUOBWJC-IVMQYODDSA-N 2 1 349.563 3.172 20 0 EGADMP Fc1ccc(N2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)c(F)c1 ZINC000820810043 1319958937 /nfs/dbraw/zinc/95/89/37/1319958937.db2.gz NMJDJGYDHDIIFN-DUZACMNTSA-N 2 1 347.453 3.291 20 0 EGADMP C[C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000821767402 1320031016 /nfs/dbraw/zinc/03/10/16/1320031016.db2.gz MVTMPTOPVSGWQU-INIZCTEOSA-N 2 1 348.450 3.157 20 0 EGADMP CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000825331930 1320328293 /nfs/dbraw/zinc/32/82/93/1320328293.db2.gz NUVXPXLWNJVEPQ-LSDHHAIUSA-N 2 1 346.462 3.208 20 0 EGADMP CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000825331930 1320328298 /nfs/dbraw/zinc/32/82/98/1320328298.db2.gz NUVXPXLWNJVEPQ-LSDHHAIUSA-N 2 1 346.462 3.208 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000836878341 1320545511 /nfs/dbraw/zinc/54/55/11/1320545511.db2.gz FIBPURVWRYIWPP-SFHVURJKSA-N 2 1 326.444 3.159 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C(=O)[C@H](C3CC3)[C@@H]2C2CC2)CC1 ZINC000840001287 1321011909 /nfs/dbraw/zinc/01/19/09/1321011909.db2.gz ZBHICSLHAUMIGB-UXHICEINSA-N 2 1 347.547 3.035 20 0 EGADMP COC(=O)Cc1ccccc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212937 1328947077 /nfs/dbraw/zinc/94/70/77/1328947077.db2.gz RVEBHVRGPNMGPQ-UHFFFAOYSA-N 2 1 340.467 3.096 20 0 EGADMP C[C@H](C(=O)NC1CCCCC1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214612 1328947869 /nfs/dbraw/zinc/94/78/69/1328947869.db2.gz PUCBXXUSKFLOCR-MRXNPFEDSA-N 2 1 331.504 3.017 20 0 EGADMP C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214612 1328947872 /nfs/dbraw/zinc/94/78/72/1328947872.db2.gz PUCBXXUSKFLOCR-MRXNPFEDSA-N 2 1 331.504 3.017 20 0 EGADMP CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000842473178 1321393433 /nfs/dbraw/zinc/39/34/33/1321393433.db2.gz QKCVXORCDIRKRH-PZJWPPBQSA-N 2 1 342.483 3.101 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843055145 1321462914 /nfs/dbraw/zinc/46/29/14/1321462914.db2.gz TVFZBYFOJBAUQC-UHFFFAOYSA-N 2 1 348.441 3.469 20 0 EGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000843053740 1321463221 /nfs/dbraw/zinc/46/32/21/1321463221.db2.gz HLDGWRRMQTZHGM-AQDPXUSMSA-N 2 1 330.472 3.089 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000843128044 1321474353 /nfs/dbraw/zinc/47/43/53/1321474353.db2.gz HHBHYGQDVNRXGZ-KBPBESRZSA-N 2 1 334.895 3.417 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C[C@@H]21 ZINC000843368155 1321508073 /nfs/dbraw/zinc/50/80/73/1321508073.db2.gz KKQDPNUSCIWIHU-SESVDKBCSA-N 2 1 349.478 3.351 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C[C@@H]21 ZINC000843368155 1321508077 /nfs/dbraw/zinc/50/80/77/1321508077.db2.gz KKQDPNUSCIWIHU-SESVDKBCSA-N 2 1 349.478 3.351 20 0 EGADMP COc1cccc2cc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)oc21 ZINC000844909437 1321656901 /nfs/dbraw/zinc/65/69/01/1321656901.db2.gz BZAWMDUUNQOIOX-SZVBFZGTSA-N 2 1 344.455 3.302 20 0 EGADMP [NH3+]CCCCCC[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000846224318 1321777291 /nfs/dbraw/zinc/77/72/91/1321777291.db2.gz UFHNEQYSUWRUMJ-UHFFFAOYSA-N 2 1 327.266 3.163 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000846224318 1321777293 /nfs/dbraw/zinc/77/72/93/1321777293.db2.gz UFHNEQYSUWRUMJ-UHFFFAOYSA-N 2 1 327.266 3.163 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000846814392 1321811385 /nfs/dbraw/zinc/81/13/85/1321811385.db2.gz BTOOTNCPXFDILC-FUHWJXTLSA-N 2 1 331.460 3.314 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000846814392 1321811389 /nfs/dbraw/zinc/81/13/89/1321811389.db2.gz BTOOTNCPXFDILC-FUHWJXTLSA-N 2 1 331.460 3.314 20 0 EGADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Oc1ccccc1 ZINC000848531131 1321970033 /nfs/dbraw/zinc/97/00/33/1321970033.db2.gz MWACPYKFCSNZIQ-IBGZPJMESA-N 2 1 332.488 3.077 20 0 EGADMP Clc1ccc2[nH]cc(CC[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)c2c1 ZINC000848530190 1321970411 /nfs/dbraw/zinc/97/04/11/1321970411.db2.gz WWPNUFUFRCDRAZ-QGZVFWFLSA-N 2 1 347.890 3.207 20 0 EGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000848531283 1321970771 /nfs/dbraw/zinc/97/07/71/1321970771.db2.gz NKVUCOIPWBQPRX-MNLRITNHSA-N 3 1 349.563 3.017 20 0 EGADMP Clc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000848549596 1321974688 /nfs/dbraw/zinc/97/46/88/1321974688.db2.gz XJRQWMJNMNYCQY-MOPGFXCFSA-N 2 1 334.891 3.040 20 0 EGADMP COC(=O)/C=C/c1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)o1 ZINC000848894847 1322033988 /nfs/dbraw/zinc/03/39/88/1322033988.db2.gz PQTNFFGBUGIRHN-SIFUEBAJSA-N 2 1 334.460 3.210 20 0 EGADMP CC(C)CCNC(=[NH2+])NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989810 1322056389 /nfs/dbraw/zinc/05/63/89/1322056389.db2.gz BZMJYPOCIXRCDN-PKOBYXMFSA-N 2 1 330.520 3.447 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCC[C@H](C)C1)c1cccc(OC)c1 ZINC000849053795 1322059653 /nfs/dbraw/zinc/05/96/53/1322059653.db2.gz JDSHHXRRMCBARV-QFBILLFUSA-N 2 1 346.519 3.334 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCCc1ccccc1)c1ccccc1 ZINC000849055216 1322061223 /nfs/dbraw/zinc/06/12/23/1322061223.db2.gz WQWIUUBLINMVPC-FQEVSTJZSA-N 2 1 338.499 3.426 20 0 EGADMP CCCC[N@@H+](C)CCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849082975 1322070859 /nfs/dbraw/zinc/07/08/59/1322070859.db2.gz HHACITZIQREVPD-UHFFFAOYSA-N 2 1 332.370 3.253 20 0 EGADMP [NH2+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)Nc1cccc(OC(F)(F)F)c1 ZINC000849083508 1322070916 /nfs/dbraw/zinc/07/09/16/1322070916.db2.gz VUVFZPRCDBOSJW-NSHDSACASA-N 2 1 342.365 3.006 20 0 EGADMP CCCC[N@@H+](C)CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000849100084 1322078444 /nfs/dbraw/zinc/07/84/44/1322078444.db2.gz ZMBLZXXTBXVDQR-UHFFFAOYSA-N 2 1 330.398 3.051 20 0 EGADMP CCc1cccc(CC)c1NC(=[NH2+])NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000849104845 1322080111 /nfs/dbraw/zinc/08/01/11/1322080111.db2.gz YUOQBCMWSJCCRQ-MRXNPFEDSA-N 2 1 346.519 3.249 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000849106021 1322080494 /nfs/dbraw/zinc/08/04/94/1322080494.db2.gz PDYIBQJYBOIBSB-DJIMGWMZSA-N 2 1 334.895 3.184 20 0 EGADMP CC[C@H](C)c1ccc(NC(=[NH2+])NCCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000849108234 1322080980 /nfs/dbraw/zinc/08/09/80/1322080980.db2.gz MMKFEHLNGOQOHC-INIZCTEOSA-N 2 1 345.535 3.162 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=[NH2+])NC2CCC2)C1 ZINC000849110996 1322082477 /nfs/dbraw/zinc/08/24/77/1322082477.db2.gz RIGODOFXFCLBQJ-IYBDPMFKSA-N 2 1 328.504 3.331 20 0 EGADMP C[N@@H+](CCCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F)C1CC1 ZINC000849116770 1322085005 /nfs/dbraw/zinc/08/50/05/1322085005.db2.gz WSXUCOXUSJIKAA-UHFFFAOYSA-N 2 1 344.381 3.396 20 0 EGADMP Cc1cc(NCc2c[nH+]c3n2CCC3)ccc1OCC[NH+]1CCCC1 ZINC000850147099 1322198540 /nfs/dbraw/zinc/19/85/40/1322198540.db2.gz VZLSTKHFHKHARS-UHFFFAOYSA-N 2 1 340.471 3.224 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000920925708 1322236478 /nfs/dbraw/zinc/23/64/78/1322236478.db2.gz MPNMRKSXHNUZAZ-LJQANCHMSA-N 2 1 342.487 3.171 20 0 EGADMP CS[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000921496535 1322329330 /nfs/dbraw/zinc/32/93/30/1322329330.db2.gz WDYXRYCNNZJWKP-RBUKOAKNSA-N 2 1 334.529 3.283 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(F)cc1Cl)C2 ZINC000922388979 1322516592 /nfs/dbraw/zinc/51/65/92/1322516592.db2.gz SQVNJDUBSRGASM-BDXSIMOUSA-N 2 1 340.870 3.048 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001023994023 1323067478 /nfs/dbraw/zinc/06/74/78/1323067478.db2.gz WMLIWIHSDBEJAL-FUHWJXTLSA-N 2 1 346.519 3.025 20 0 EGADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc(-c2ccccc2)no1 ZINC000924658761 1323098389 /nfs/dbraw/zinc/09/83/89/1323098389.db2.gz MOTNRNCCTGYGIC-QGZVFWFLSA-N 2 1 342.487 3.020 20 0 EGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000851924708 1323114131 /nfs/dbraw/zinc/11/41/31/1323114131.db2.gz QAVDOPHQDNWDKP-RDJZCZTQSA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000851924708 1323114135 /nfs/dbraw/zinc/11/41/35/1323114135.db2.gz QAVDOPHQDNWDKP-RDJZCZTQSA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000851924708 1323114142 /nfs/dbraw/zinc/11/41/42/1323114142.db2.gz QAVDOPHQDNWDKP-RDJZCZTQSA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000851924708 1323114146 /nfs/dbraw/zinc/11/41/46/1323114146.db2.gz QAVDOPHQDNWDKP-RDJZCZTQSA-N 2 1 344.421 3.196 20 0 EGADMP C[C@@H](NCc1ccccc1C[N@@H+](C)C1CCCCC1)c1cnn(C)n1 ZINC000924730233 1323137680 /nfs/dbraw/zinc/13/76/80/1323137680.db2.gz MGGZLYTYBZJZKQ-MRXNPFEDSA-N 2 1 341.503 3.430 20 0 EGADMP C[C@H](Cc1ccccn1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000924778605 1323159510 /nfs/dbraw/zinc/15/95/10/1323159510.db2.gz VCHVAMVJDWDKPB-QZTJIDSGSA-N 2 1 339.483 3.023 20 0 EGADMP C[C@H](Cc1ccccn1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000924778605 1323159518 /nfs/dbraw/zinc/15/95/18/1323159518.db2.gz VCHVAMVJDWDKPB-QZTJIDSGSA-N 2 1 339.483 3.023 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc2c1OCO2 ZINC000924863085 1323192365 /nfs/dbraw/zinc/19/23/65/1323192365.db2.gz UOZJEHUEVXAAPF-HNNXBMFYSA-N 2 1 342.439 3.207 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc(Br)n1 ZINC000924947766 1323223934 /nfs/dbraw/zinc/22/39/34/1323223934.db2.gz AVKFOJHSOURUIP-RYUDHWBXSA-N 2 1 337.265 3.336 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c1 ZINC000924962162 1323228072 /nfs/dbraw/zinc/22/80/72/1323228072.db2.gz ZSVVSXYSEUDWKZ-NHCUHLMSSA-N 2 1 340.515 3.373 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc2ccccc2[nH]1 ZINC000925057955 1323260260 /nfs/dbraw/zinc/26/02/60/1323260260.db2.gz WCASIXOFPVHHTE-CRAIPNDOSA-N 2 1 327.472 3.462 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3ccccn3)cc2)C1 ZINC000853061739 1323271582 /nfs/dbraw/zinc/27/15/82/1323271582.db2.gz FTMJSZVNJLIQOQ-LAUBAEHRSA-N 2 1 339.483 3.137 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024437834 1323398588 /nfs/dbraw/zinc/39/85/88/1323398588.db2.gz WXZDWNPSKMXHIB-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001024437834 1323398591 /nfs/dbraw/zinc/39/85/91/1323398591.db2.gz WXZDWNPSKMXHIB-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001024437834 1323398597 /nfs/dbraw/zinc/39/85/97/1323398597.db2.gz WXZDWNPSKMXHIB-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440284 1323403087 /nfs/dbraw/zinc/40/30/87/1323403087.db2.gz MLKFLZISPQUUNE-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440284 1323403089 /nfs/dbraw/zinc/40/30/89/1323403089.db2.gz MLKFLZISPQUUNE-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440284 1323403093 /nfs/dbraw/zinc/40/30/93/1323403093.db2.gz MLKFLZISPQUUNE-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCC2CCCCC2)CC[N@H+]1C ZINC001024446659 1323406529 /nfs/dbraw/zinc/40/65/29/1323406529.db2.gz HURZEEQGAPFGSM-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCC2CCCCC2)CC[NH+]1C ZINC001024446659 1323406533 /nfs/dbraw/zinc/40/65/33/1323406533.db2.gz HURZEEQGAPFGSM-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCC2CCCCC2)CC[NH+]1C ZINC001024446659 1323406536 /nfs/dbraw/zinc/40/65/36/1323406536.db2.gz HURZEEQGAPFGSM-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024467782 1323423573 /nfs/dbraw/zinc/42/35/73/1323423573.db2.gz HCFJENDUWLBYGG-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001024467782 1323423575 /nfs/dbraw/zinc/42/35/75/1323423575.db2.gz HCFJENDUWLBYGG-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC(C)(C)C ZINC001024467782 1323423578 /nfs/dbraw/zinc/42/35/78/1323423578.db2.gz HCFJENDUWLBYGG-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024618863 1323547797 /nfs/dbraw/zinc/54/77/97/1323547797.db2.gz ZDXMJMDQWUFUPJ-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024618863 1323547803 /nfs/dbraw/zinc/54/78/03/1323547803.db2.gz ZDXMJMDQWUFUPJ-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001024618863 1323547806 /nfs/dbraw/zinc/54/78/06/1323547806.db2.gz ZDXMJMDQWUFUPJ-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001024692601 1323609753 /nfs/dbraw/zinc/60/97/53/1323609753.db2.gz PJRAUZKPJIGZGQ-OALUTQOASA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024692601 1323609758 /nfs/dbraw/zinc/60/97/58/1323609758.db2.gz PJRAUZKPJIGZGQ-OALUTQOASA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024692601 1323609764 /nfs/dbraw/zinc/60/97/64/1323609764.db2.gz PJRAUZKPJIGZGQ-OALUTQOASA-N 2 1 335.536 3.186 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2CCC(C)(C)CC2)C1 ZINC001024801236 1323704553 /nfs/dbraw/zinc/70/45/53/1323704553.db2.gz LMMMILBAXPLLAS-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CCC(C)(C)CC2)C1 ZINC001024801236 1323704556 /nfs/dbraw/zinc/70/45/56/1323704556.db2.gz LMMMILBAXPLLAS-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC2CCC(C)(C)CC2)C1 ZINC001024801236 1323704558 /nfs/dbraw/zinc/70/45/58/1323704558.db2.gz LMMMILBAXPLLAS-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024812712 1323715315 /nfs/dbraw/zinc/71/53/15/1323715315.db2.gz ROCXXCAWOAWYPS-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC001024812712 1323715321 /nfs/dbraw/zinc/71/53/21/1323715321.db2.gz ROCXXCAWOAWYPS-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccsc1 ZINC001024812712 1323715328 /nfs/dbraw/zinc/71/53/28/1323715328.db2.gz ROCXXCAWOAWYPS-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)o1 ZINC001024820243 1323725112 /nfs/dbraw/zinc/72/51/12/1323725112.db2.gz XFYSBZMWMGQMEA-KRWDZBQOSA-N 2 1 349.519 3.362 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001025168402 1323937605 /nfs/dbraw/zinc/93/76/05/1323937605.db2.gz BZXAJFGOVQIXOY-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001025168430 1323937711 /nfs/dbraw/zinc/93/77/11/1323937711.db2.gz DLPMVQVSARGAOA-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+]1CCC1CC1)C1CCC1 ZINC001025240340 1324035081 /nfs/dbraw/zinc/03/50/81/1324035081.db2.gz NMSRAECHGVPIIT-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC1CC1)C1CCC1 ZINC001025240340 1324035090 /nfs/dbraw/zinc/03/50/90/1324035090.db2.gz NMSRAECHGVPIIT-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+]1CCC1CC1)C1CCC1 ZINC001025240340 1324035097 /nfs/dbraw/zinc/03/50/97/1324035097.db2.gz NMSRAECHGVPIIT-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025247417 1324047314 /nfs/dbraw/zinc/04/73/14/1324047314.db2.gz KUMQADQOASHNEK-MOPGFXCFSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275071 1324094685 /nfs/dbraw/zinc/09/46/85/1324094685.db2.gz RYZNRSAAJGYDNI-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccccc1C[NH+](C)C ZINC001025300843 1324133838 /nfs/dbraw/zinc/13/38/38/1324133838.db2.gz GIJDESBGGQURPI-WOJBJXKFSA-N 2 1 343.515 3.227 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025517480 1324361395 /nfs/dbraw/zinc/36/13/95/1324361395.db2.gz ZXHYKTINFQAOIV-IAGOWNOFSA-N 2 1 347.503 3.138 20 0 EGADMP CC(C)[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001026494398 1324847799 /nfs/dbraw/zinc/84/77/99/1324847799.db2.gz NBBBMBFLJNUUOP-AOCRQIFASA-N 2 1 335.536 3.066 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001026516372 1324862843 /nfs/dbraw/zinc/86/28/43/1324862843.db2.gz ZRDCGVXQQPVVND-SOAGJPPSSA-N 2 1 347.547 3.378 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CCC2CC2)CC1 ZINC001026571813 1324904890 /nfs/dbraw/zinc/90/48/90/1324904890.db2.gz NEFVGQLHBPCZMY-ACBHZAAOSA-N 2 1 335.536 3.066 20 0 EGADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCC(C)C)CC2)C1 ZINC000925226647 1325087990 /nfs/dbraw/zinc/08/79/90/1325087990.db2.gz PXSQAVGSSSPMSQ-SVMVAKDDSA-N 2 1 328.566 3.166 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925438332 1325150609 /nfs/dbraw/zinc/15/06/09/1325150609.db2.gz XIELEGGXODCMKW-FGTMMUONSA-N 2 1 348.531 3.454 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364414 1325165333 /nfs/dbraw/zinc/16/53/33/1325165333.db2.gz CCWQAOAGRDEGRZ-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000925542928 1325199774 /nfs/dbraw/zinc/19/97/74/1325199774.db2.gz RZIUPQBLFLMINX-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP Clc1ccccc1C[NH+]1CCC(CN[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925555415 1325207144 /nfs/dbraw/zinc/20/71/44/1325207144.db2.gz FWGMGNJRHIVFAI-IBGZPJMESA-N 2 1 347.934 3.426 20 0 EGADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c(N2CCCC2)n1 ZINC000925610997 1325229387 /nfs/dbraw/zinc/22/93/87/1325229387.db2.gz KIZORTWJRAHSIR-PMACEKPBSA-N 2 1 342.531 3.248 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c2ncnn21 ZINC000925616064 1325231579 /nfs/dbraw/zinc/23/15/79/1325231579.db2.gz QAYBOIKILCVYJU-ZAWLATJESA-N 2 1 339.487 3.174 20 0 EGADMP Cc1nonc1[C@H](C)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000925617570 1325232476 /nfs/dbraw/zinc/23/24/76/1325232476.db2.gz XJSGNUGHVKKKBW-MPGHIAIKSA-N 2 1 328.460 3.329 20 0 EGADMP C[N@H+]1CC[C@H](CN[C@H]2CC[NH2+]C2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925631102 1325239849 /nfs/dbraw/zinc/23/98/49/1325239849.db2.gz UQPNCRKRJALJHQ-XOKHGSTOSA-N 2 1 339.886 3.202 20 0 EGADMP FC(F)(F)[C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)O1 ZINC000925805249 1325308703 /nfs/dbraw/zinc/30/87/03/1325308703.db2.gz HKDBYGPMOOMLHX-JJXSEGSLSA-N 2 1 328.378 3.179 20 0 EGADMP CCc1noc([C@@H]2CC[C@H]([NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)n1 ZINC000925874081 1325338671 /nfs/dbraw/zinc/33/86/71/1325338671.db2.gz UWAPYQURTRYSKJ-VSZNYVQBSA-N 2 1 340.471 3.351 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC000964392345 1325503730 /nfs/dbraw/zinc/50/37/30/1325503730.db2.gz MHRCSNCXOGQPFT-UHFFFAOYSA-N 2 1 346.519 3.131 20 0 EGADMP COc1ccnc([C@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000926325384 1325515861 /nfs/dbraw/zinc/51/58/61/1325515861.db2.gz LRQOYLRYKCIESO-FUHWJXTLSA-N 2 1 325.456 3.263 20 0 EGADMP C[S@@](=O)C1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000926358294 1325525773 /nfs/dbraw/zinc/52/57/73/1325525773.db2.gz PIUONIMYCSDEDY-YGHRPCRPSA-N 2 1 346.540 3.073 20 0 EGADMP C[S@@](=O)C1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000926358294 1325525784 /nfs/dbraw/zinc/52/57/84/1325525784.db2.gz PIUONIMYCSDEDY-YGHRPCRPSA-N 2 1 346.540 3.073 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCCC2)C1 ZINC001027432684 1327671292 /nfs/dbraw/zinc/67/12/92/1327671292.db2.gz HZTBIDYLPMRWNM-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027432684 1327671301 /nfs/dbraw/zinc/67/13/01/1327671301.db2.gz HZTBIDYLPMRWNM-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027432684 1327671315 /nfs/dbraw/zinc/67/13/15/1327671315.db2.gz HZTBIDYLPMRWNM-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@H]([N@@H+](C)CC3CCCCCC3)C2)CCC1 ZINC001027440497 1327678687 /nfs/dbraw/zinc/67/86/87/1327678687.db2.gz IFOXAEUSGQYJTC-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027449414 1327688849 /nfs/dbraw/zinc/68/88/49/1327688849.db2.gz ZYVQMNVZACDCLF-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCC1)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001027449414 1327688859 /nfs/dbraw/zinc/68/88/59/1327688859.db2.gz ZYVQMNVZACDCLF-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCC1)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001027449414 1327688869 /nfs/dbraw/zinc/68/88/69/1327688869.db2.gz ZYVQMNVZACDCLF-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C)c(C)c2)C1)[NH+](C)C ZINC001027459748 1327703441 /nfs/dbraw/zinc/70/34/41/1327703441.db2.gz ARPXMPBVXXMSBF-WOJBJXKFSA-N 2 1 345.531 3.066 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCCC2)C1)[NH+](C)C ZINC001027461565 1327708055 /nfs/dbraw/zinc/70/80/55/1327708055.db2.gz MZQFTZHLEAOWCV-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP C[N@@H+](CC1CCCCCC1)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027466840 1327720398 /nfs/dbraw/zinc/72/03/98/1327720398.db2.gz YHHBGJKXGBXBCE-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCCC1)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001027466840 1327720407 /nfs/dbraw/zinc/72/04/07/1327720407.db2.gz YHHBGJKXGBXBCE-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCCC1)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001027466840 1327720412 /nfs/dbraw/zinc/72/04/12/1327720412.db2.gz YHHBGJKXGBXBCE-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC2CC2)C1 ZINC001027648782 1328028523 /nfs/dbraw/zinc/02/85/23/1328028523.db2.gz ZPTWVCYCHDKHQE-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1 ZINC001027648782 1328028529 /nfs/dbraw/zinc/02/85/29/1328028529.db2.gz ZPTWVCYCHDKHQE-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC001027648782 1328028539 /nfs/dbraw/zinc/02/85/39/1328028539.db2.gz ZPTWVCYCHDKHQE-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CC[N@H+](CC2CCC2)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000966485385 1328317861 /nfs/dbraw/zinc/31/78/61/1328317861.db2.gz BFSDSASRCNEPBE-WMLDXEAASA-N 2 1 349.544 3.050 20 0 EGADMP C[C@H]1CC[N@@H+](CC2CCC2)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000966485385 1328317869 /nfs/dbraw/zinc/31/78/69/1328317869.db2.gz BFSDSASRCNEPBE-WMLDXEAASA-N 2 1 349.544 3.050 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027878508 1328341810 /nfs/dbraw/zinc/34/18/10/1328341810.db2.gz DBEZXWAUIATXRP-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC001027878508 1328341817 /nfs/dbraw/zinc/34/18/17/1328341817.db2.gz DBEZXWAUIATXRP-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCCC1 ZINC001027878508 1328341822 /nfs/dbraw/zinc/34/18/22/1328341822.db2.gz DBEZXWAUIATXRP-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCC1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027884491 1328352157 /nfs/dbraw/zinc/35/21/57/1328352157.db2.gz ADPDNEFXNKWUBJ-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CC1CCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027884491 1328352165 /nfs/dbraw/zinc/35/21/65/1328352165.db2.gz ADPDNEFXNKWUBJ-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CC1CCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027884491 1328352172 /nfs/dbraw/zinc/35/21/72/1328352172.db2.gz ADPDNEFXNKWUBJ-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913085 1328388438 /nfs/dbraw/zinc/38/84/38/1328388438.db2.gz GCIRLGBSRQIEOB-GDBMZVCRSA-N 2 1 337.533 3.050 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913085 1328388445 /nfs/dbraw/zinc/38/84/45/1328388445.db2.gz GCIRLGBSRQIEOB-GDBMZVCRSA-N 2 1 337.533 3.050 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001027919225 1328397481 /nfs/dbraw/zinc/39/74/81/1328397481.db2.gz UKMFKXYLYJXTQG-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC001027919225 1328397489 /nfs/dbraw/zinc/39/74/89/1328397489.db2.gz UKMFKXYLYJXTQG-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1=CCCCC1 ZINC001027919225 1328397494 /nfs/dbraw/zinc/39/74/94/1328397494.db2.gz UKMFKXYLYJXTQG-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027971574 1328443542 /nfs/dbraw/zinc/44/35/42/1328443542.db2.gz HPNWOBDHVDQQMT-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC001027971574 1328443545 /nfs/dbraw/zinc/44/35/45/1328443545.db2.gz HPNWOBDHVDQQMT-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCCC1 ZINC001027971574 1328443548 /nfs/dbraw/zinc/44/35/48/1328443548.db2.gz HPNWOBDHVDQQMT-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCC2(CC2)CC1 ZINC001027972364 1328444574 /nfs/dbraw/zinc/44/45/74/1328444574.db2.gz UEEWOIGIJGOSIK-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001027972364 1328444579 /nfs/dbraw/zinc/44/45/79/1328444579.db2.gz UEEWOIGIJGOSIK-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCC2(CC2)CC1 ZINC001027972364 1328444582 /nfs/dbraw/zinc/44/45/82/1328444582.db2.gz UEEWOIGIJGOSIK-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCCC1 ZINC001027971831 1328445015 /nfs/dbraw/zinc/44/50/15/1328445015.db2.gz MWTNCVBQYJPKHP-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCCCC1 ZINC001027971831 1328445020 /nfs/dbraw/zinc/44/50/20/1328445020.db2.gz MWTNCVBQYJPKHP-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCCCC1 ZINC001027971831 1328445025 /nfs/dbraw/zinc/44/50/25/1328445025.db2.gz MWTNCVBQYJPKHP-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027973011 1328447692 /nfs/dbraw/zinc/44/76/92/1328447692.db2.gz ZYXREMYDAMKCAT-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC001027973011 1328447697 /nfs/dbraw/zinc/44/76/97/1328447697.db2.gz ZYXREMYDAMKCAT-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCCC1 ZINC001027973011 1328447701 /nfs/dbraw/zinc/44/77/01/1328447701.db2.gz ZYXREMYDAMKCAT-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCn1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)nn1 ZINC000865415255 1329694066 /nfs/dbraw/zinc/69/40/66/1329694066.db2.gz YHLRIQBBQDJCFV-KRWDZBQOSA-N 2 1 341.503 3.210 20 0 EGADMP CCCn1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)nn1 ZINC000865415255 1329694068 /nfs/dbraw/zinc/69/40/68/1329694068.db2.gz YHLRIQBBQDJCFV-KRWDZBQOSA-N 2 1 341.503 3.210 20 0 EGADMP COc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1C(C)(C)C ZINC000865450113 1329699200 /nfs/dbraw/zinc/69/92/00/1329699200.db2.gz HTSKTPPOWLHOJU-UHFFFAOYSA-N 2 1 347.547 3.110 20 0 EGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)CC[NH2+]C(C)(C)C)cc2)C1 ZINC000933918850 1329933563 /nfs/dbraw/zinc/93/35/63/1329933563.db2.gz WSABGGLXINWGHI-MRXNPFEDSA-N 2 1 347.503 3.124 20 0 EGADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940779635 1331190580 /nfs/dbraw/zinc/19/05/80/1331190580.db2.gz FUQSFEMFRXWFSR-HNNXBMFYSA-N 2 1 337.533 3.048 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)C[C@@H]1C ZINC000943290109 1332139506 /nfs/dbraw/zinc/13/95/06/1332139506.db2.gz VENBNTQKVYHANI-IRXDYDNUSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)C[C@@H]1C ZINC000943290109 1332139507 /nfs/dbraw/zinc/13/95/07/1332139507.db2.gz VENBNTQKVYHANI-IRXDYDNUSA-N 2 1 348.535 3.269 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCCC3CCC3)C[C@H]2C)CC1 ZINC000943757060 1332255311 /nfs/dbraw/zinc/25/53/11/1332255311.db2.gz ZYFSOTHFUXJFNH-UYAOXDASSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944168583 1332338717 /nfs/dbraw/zinc/33/87/17/1332338717.db2.gz JXUNIVBBLWOWEC-QAPCUYQASA-N 2 1 346.519 3.024 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944168583 1332338720 /nfs/dbraw/zinc/33/87/20/1332338720.db2.gz JXUNIVBBLWOWEC-QAPCUYQASA-N 2 1 346.519 3.024 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(C)C)C[C@H]2C)o1 ZINC000945337247 1332560428 /nfs/dbraw/zinc/56/04/28/1332560428.db2.gz VJWWEOBLOZNTOX-AEFFLSMTSA-N 2 1 349.519 3.218 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946709970 1332881728 /nfs/dbraw/zinc/88/17/28/1332881728.db2.gz DJVIDBJCUXZKKL-QRVBRYPASA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CCC1CCCC1 ZINC000947498561 1333148004 /nfs/dbraw/zinc/14/80/04/1333148004.db2.gz VYRHOKCFCAUNJY-IEBWSBKVSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771329 1333256716 /nfs/dbraw/zinc/25/67/16/1333256716.db2.gz JRRFKTSFWFQYCQ-IAGOWNOFSA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771329 1333256718 /nfs/dbraw/zinc/25/67/18/1333256718.db2.gz JRRFKTSFWFQYCQ-IAGOWNOFSA-N 2 1 334.508 3.022 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC1=CCCCC1 ZINC000947780193 1333259658 /nfs/dbraw/zinc/25/96/58/1333259658.db2.gz XGZUVWRVPZIQCK-YLJYHZDGSA-N 2 1 347.547 3.188 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC3=CCCCC3)[C@H](C)C2)CC1 ZINC000947851814 1333279243 /nfs/dbraw/zinc/27/92/43/1333279243.db2.gz AVQUTPLTLUUOBK-QUCCMNQESA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[N@@H+]1CCC(C)(C)C ZINC000947939892 1333312915 /nfs/dbraw/zinc/31/29/15/1333312915.db2.gz LZHAGBVOGBRQSR-JKSUJKDBSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@H]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[N@H+]1CCC(C)(C)C ZINC000947939892 1333312916 /nfs/dbraw/zinc/31/29/16/1333312916.db2.gz LZHAGBVOGBRQSR-JKSUJKDBSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948056597 1333357700 /nfs/dbraw/zinc/35/77/00/1333357700.db2.gz LTDUVXOOLALZBG-YLJYHZDGSA-N 2 1 343.515 3.297 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC3=CCCCC3)CC2)CC[N@H+]1C ZINC000948385671 1333503886 /nfs/dbraw/zinc/50/38/86/1333503886.db2.gz NYCNVRGQKOUTNZ-MISYRCLQSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](CC3=CCCCC3)CC2)CC[NH+]1C ZINC000948385671 1333503887 /nfs/dbraw/zinc/50/38/87/1333503887.db2.gz NYCNVRGQKOUTNZ-MISYRCLQSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CC3=CCCCC3)CC2)CC[NH+]1C ZINC000948385671 1333503892 /nfs/dbraw/zinc/50/38/92/1333503892.db2.gz NYCNVRGQKOUTNZ-MISYRCLQSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC=C(C)C)CC1 ZINC000948416671 1333516904 /nfs/dbraw/zinc/51/69/04/1333516904.db2.gz MALDUUGQYWSZKQ-OALUTQOASA-N 2 1 335.536 3.140 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC=C(C)C)CC1 ZINC000948416671 1333516905 /nfs/dbraw/zinc/51/69/05/1333516905.db2.gz MALDUUGQYWSZKQ-OALUTQOASA-N 2 1 335.536 3.140 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC=C(C)C)CC1 ZINC000948416671 1333516909 /nfs/dbraw/zinc/51/69/09/1333516909.db2.gz MALDUUGQYWSZKQ-OALUTQOASA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948440025 1333526577 /nfs/dbraw/zinc/52/65/77/1333526577.db2.gz ZQYPOIBRMVROJR-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948440025 1333526580 /nfs/dbraw/zinc/52/65/80/1333526580.db2.gz ZQYPOIBRMVROJR-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948440025 1333526582 /nfs/dbraw/zinc/52/65/82/1333526582.db2.gz ZQYPOIBRMVROJR-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000948553826 1333572318 /nfs/dbraw/zinc/57/23/18/1333572318.db2.gz LWLMYVYEYQLPPD-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC000948553826 1333572323 /nfs/dbraw/zinc/57/23/23/1333572323.db2.gz LWLMYVYEYQLPPD-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC000948553826 1333572327 /nfs/dbraw/zinc/57/23/27/1333572327.db2.gz LWLMYVYEYQLPPD-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948553571 1333572773 /nfs/dbraw/zinc/57/27/73/1333572773.db2.gz ITXNIVRWGGBUEH-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000948553571 1333572775 /nfs/dbraw/zinc/57/27/75/1333572775.db2.gz ITXNIVRWGGBUEH-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000948553571 1333572778 /nfs/dbraw/zinc/57/27/78/1333572778.db2.gz ITXNIVRWGGBUEH-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948621473 1333600843 /nfs/dbraw/zinc/60/08/43/1333600843.db2.gz QOLXMJMISZRTFN-SJORKVTESA-N 2 1 346.450 3.009 20 0 EGADMP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948725621 1333648084 /nfs/dbraw/zinc/64/80/84/1333648084.db2.gz CIHPQZFUKUOTBK-SFHVURJKSA-N 2 1 347.503 3.068 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC000948776080 1333674419 /nfs/dbraw/zinc/67/44/19/1333674419.db2.gz YTRUPHFAEXCCHW-UYAOXDASSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC000948776080 1333674422 /nfs/dbraw/zinc/67/44/22/1333674422.db2.gz YTRUPHFAEXCCHW-UYAOXDASSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC000948776080 1333674424 /nfs/dbraw/zinc/67/44/24/1333674424.db2.gz YTRUPHFAEXCCHW-UYAOXDASSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948820915 1333698393 /nfs/dbraw/zinc/69/83/93/1333698393.db2.gz UYQRJUAYQLTFGW-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948820915 1333698397 /nfs/dbraw/zinc/69/83/97/1333698397.db2.gz UYQRJUAYQLTFGW-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000948936364 1333740887 /nfs/dbraw/zinc/74/08/87/1333740887.db2.gz ORSKCGOVBLIHII-FQEVSTJZSA-N 2 1 348.450 3.074 20 0 EGADMP Cc1c(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)ccc2c[nH+]cn21 ZINC000949018984 1333766910 /nfs/dbraw/zinc/76/69/10/1333766910.db2.gz AHUNUEQWUWNJBO-INIZCTEOSA-N 2 1 348.450 3.162 20 0 EGADMP CCC(CC)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000949824762 1333933872 /nfs/dbraw/zinc/93/38/72/1333933872.db2.gz OBVQLKFGESCBGI-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1C[NH+](CCC(C)C)C1 ZINC000950331788 1334043554 /nfs/dbraw/zinc/04/35/54/1334043554.db2.gz VSEZNAGNXVMVPL-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC)C2C[NH+](CCC3CCCC3)C2)C1 ZINC000951214566 1334209845 /nfs/dbraw/zinc/20/98/45/1334209845.db2.gz MBAVHEVNNNSKSG-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000951628647 1334281420 /nfs/dbraw/zinc/28/14/20/1334281420.db2.gz YEPKHJKMVGBLPP-VQTJNVASSA-N 2 1 347.547 3.118 20 0 EGADMP CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1C[NH+](CCC2CCCC2)C1 ZINC000952443814 1334460802 /nfs/dbraw/zinc/46/08/02/1334460802.db2.gz DAPZZUFPKVLXPM-AZUAARDMSA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967266059 1335681666 /nfs/dbraw/zinc/68/16/66/1335681666.db2.gz ZIOBCIXEYYZJHE-HNAYVOBHSA-N 2 1 342.487 3.211 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000967398726 1335726199 /nfs/dbraw/zinc/72/61/99/1335726199.db2.gz ZYJRZWQFDZIFOG-CRAIPNDOSA-N 2 1 342.487 3.211 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2CCCCCC2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968192270 1335868364 /nfs/dbraw/zinc/86/83/64/1335868364.db2.gz PXIDITZLDPEBRY-XLIONFOSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[N@@H+](CCCC2CCCC2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968193999 1335869082 /nfs/dbraw/zinc/86/90/82/1335869082.db2.gz XLWUZORAAZKTCN-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[N@@H+](CCCC2CCC2)C[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968331959 1335892142 /nfs/dbraw/zinc/89/21/42/1335892142.db2.gz SNHARYFBLOFYGU-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CCCC2CCC2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000968331959 1335892146 /nfs/dbraw/zinc/89/21/46/1335892146.db2.gz SNHARYFBLOFYGU-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CCCC2CCC2)C[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000968331959 1335892147 /nfs/dbraw/zinc/89/21/47/1335892147.db2.gz SNHARYFBLOFYGU-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000968849955 1336067634 /nfs/dbraw/zinc/06/76/34/1336067634.db2.gz KTPWETSCRITJAO-MOPGFXCFSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968849955 1336067638 /nfs/dbraw/zinc/06/76/38/1336067638.db2.gz KTPWETSCRITJAO-MOPGFXCFSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968849955 1336067639 /nfs/dbraw/zinc/06/76/39/1336067639.db2.gz KTPWETSCRITJAO-MOPGFXCFSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000968849958 1336067878 /nfs/dbraw/zinc/06/78/78/1336067878.db2.gz KTPWETSCRITJAO-RTBURBONSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968849958 1336067880 /nfs/dbraw/zinc/06/78/80/1336067880.db2.gz KTPWETSCRITJAO-RTBURBONSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968849958 1336067882 /nfs/dbraw/zinc/06/78/82/1336067882.db2.gz KTPWETSCRITJAO-RTBURBONSA-N 2 1 335.536 3.186 20 0 EGADMP CC1(C)CC(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC000968916014 1336087326 /nfs/dbraw/zinc/08/73/26/1336087326.db2.gz WMKRTEJGWHFJEL-MJGOQNOKSA-N 2 1 347.547 3.020 20 0 EGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000968916135 1336087414 /nfs/dbraw/zinc/08/74/14/1336087414.db2.gz XGKSZVMHDMZLIE-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1 ZINC000969059675 1336133099 /nfs/dbraw/zinc/13/30/99/1336133099.db2.gz QJQIGOPJWPKOIH-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CC1 ZINC000969059675 1336133101 /nfs/dbraw/zinc/13/31/01/1336133101.db2.gz QJQIGOPJWPKOIH-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCC1CC1 ZINC000969059675 1336133103 /nfs/dbraw/zinc/13/31/03/1336133103.db2.gz QJQIGOPJWPKOIH-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1CCCC1 ZINC000969156139 1336165052 /nfs/dbraw/zinc/16/50/52/1336165052.db2.gz KTNFNTFQOMIELW-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969156597 1336165680 /nfs/dbraw/zinc/16/56/80/1336165680.db2.gz XJSUANIWEOSVPQ-SFHVURJKSA-N 2 1 331.504 3.133 20 0 EGADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1C[NH+](CC2CCCC2)C1 ZINC000969829277 1336251942 /nfs/dbraw/zinc/25/19/42/1336251942.db2.gz BJKYJHMFOGEOCP-OXQOHEQNSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1C[NH+](CC2CCC2)C1 ZINC000970324968 1336294940 /nfs/dbraw/zinc/29/49/40/1336294940.db2.gz BCXWDUJNMCRJPA-JXFKEZNVSA-N 2 1 347.547 3.020 20 0 EGADMP CN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CC[NH+](CC2CCCC2)CC1 ZINC001005585340 1336376367 /nfs/dbraw/zinc/37/63/67/1336376367.db2.gz RVDXSBQCEKOGPV-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001005645146 1336386942 /nfs/dbraw/zinc/38/69/42/1336386942.db2.gz UBKHLEFGVVXLIJ-LJQANCHMSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001006084217 1336449989 /nfs/dbraw/zinc/44/99/89/1336449989.db2.gz PUEUIDGLYBQLFW-QLOJAFMTSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001006291679 1336484148 /nfs/dbraw/zinc/48/41/48/1336484148.db2.gz HUIUEMCKKYDWKH-MSOLQXFVSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001006398818 1336499176 /nfs/dbraw/zinc/49/91/76/1336499176.db2.gz GBLPBOZIVVHAGV-QUCCMNQESA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001006443413 1336506943 /nfs/dbraw/zinc/50/69/43/1336506943.db2.gz CTVKPTGTMRTJLA-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC(N(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001006444851 1336507594 /nfs/dbraw/zinc/50/75/94/1336507594.db2.gz XAMFAUHGVIUPTI-CALCHBBNSA-N 2 1 337.552 3.218 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ccsc2)CC1 ZINC001006445599 1336507636 /nfs/dbraw/zinc/50/76/36/1336507636.db2.gz LJVNPXKZQJTYMX-SFHVURJKSA-N 2 1 349.544 3.045 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCC3CCCC3)C2)C1 ZINC001007498048 1336657794 /nfs/dbraw/zinc/65/77/94/1336657794.db2.gz YSEKXXBBWGLRQK-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCC3CCCC3)C2)C1 ZINC001007498048 1336657798 /nfs/dbraw/zinc/65/77/98/1336657798.db2.gz YSEKXXBBWGLRQK-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCC3CCCC3)C2)C1 ZINC001007498048 1336657800 /nfs/dbraw/zinc/65/78/00/1336657800.db2.gz YSEKXXBBWGLRQK-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007501193 1336658989 /nfs/dbraw/zinc/65/89/89/1336658989.db2.gz WMECXOVLJRPEFX-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007501193 1336658992 /nfs/dbraw/zinc/65/89/92/1336658992.db2.gz WMECXOVLJRPEFX-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007501193 1336658995 /nfs/dbraw/zinc/65/89/95/1336658995.db2.gz WMECXOVLJRPEFX-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001007797406 1336702686 /nfs/dbraw/zinc/70/26/86/1336702686.db2.gz ADBLMRZSPOAJPB-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008053491 1336759772 /nfs/dbraw/zinc/75/97/72/1336759772.db2.gz USQFUVSVGZJFGC-PKOBYXMFSA-N 2 1 345.531 3.031 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001008164151 1336783039 /nfs/dbraw/zinc/78/30/39/1336783039.db2.gz RPSZRZJUJDDNNU-IEBWSBKVSA-N 2 1 343.515 3.203 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008278786 1336813030 /nfs/dbraw/zinc/81/30/30/1336813030.db2.gz YPYCITWDUBAVTD-ICSRJNTNSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008278786 1336813031 /nfs/dbraw/zinc/81/30/31/1336813031.db2.gz YPYCITWDUBAVTD-ICSRJNTNSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008278786 1336813035 /nfs/dbraw/zinc/81/30/35/1336813035.db2.gz YPYCITWDUBAVTD-ICSRJNTNSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001008529705 1336876599 /nfs/dbraw/zinc/87/65/99/1336876599.db2.gz GEWAWAVYWWHZOW-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001008529705 1336876600 /nfs/dbraw/zinc/87/66/00/1336876600.db2.gz GEWAWAVYWWHZOW-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001008529705 1336876602 /nfs/dbraw/zinc/87/66/02/1336876602.db2.gz GEWAWAVYWWHZOW-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001008771951 1336923534 /nfs/dbraw/zinc/92/35/34/1336923534.db2.gz WOGDQXHFHWOMRX-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001008771951 1336923540 /nfs/dbraw/zinc/92/35/40/1336923540.db2.gz WOGDQXHFHWOMRX-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001008771951 1336923544 /nfs/dbraw/zinc/92/35/44/1336923544.db2.gz WOGDQXHFHWOMRX-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cnc1Br ZINC001206324853 1371023959 /nfs/dbraw/zinc/02/39/59/1371023959.db2.gz DWCSZIQNPYIVFG-OAHLLOKOSA-N 2 1 326.282 3.103 20 0 EGADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001014425204 1337774062 /nfs/dbraw/zinc/77/40/62/1337774062.db2.gz NZRIIWCUXYOPEW-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)cs1 ZINC001014427929 1337774919 /nfs/dbraw/zinc/77/49/19/1337774919.db2.gz WAIUATAFEAAUFC-QGZVFWFLSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)cs1 ZINC001014427929 1337774925 /nfs/dbraw/zinc/77/49/25/1337774925.db2.gz WAIUATAFEAAUFC-QGZVFWFLSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001120046300 1371468226 /nfs/dbraw/zinc/46/82/26/1371468226.db2.gz USWBFCMJNSWBFC-UHFFFAOYSA-N 2 1 325.541 3.173 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1)[NH+]1CCCC1 ZINC001015499126 1338160454 /nfs/dbraw/zinc/16/04/54/1338160454.db2.gz NXEJSOAKVFOESB-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603314 1338204847 /nfs/dbraw/zinc/20/48/47/1338204847.db2.gz RCOHCAJCNCJTSN-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603314 1338204849 /nfs/dbraw/zinc/20/48/49/1338204849.db2.gz RCOHCAJCNCJTSN-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603314 1338204854 /nfs/dbraw/zinc/20/48/54/1338204854.db2.gz RCOHCAJCNCJTSN-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015710781 1338271123 /nfs/dbraw/zinc/27/11/23/1338271123.db2.gz RTCPHXSNZRXSDX-OALUTQOASA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001015710781 1338271125 /nfs/dbraw/zinc/27/11/25/1338271125.db2.gz RTCPHXSNZRXSDX-OALUTQOASA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001015710781 1338271128 /nfs/dbraw/zinc/27/11/28/1338271128.db2.gz RTCPHXSNZRXSDX-OALUTQOASA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001015781156 1338307182 /nfs/dbraw/zinc/30/71/82/1338307182.db2.gz JTCZFIUGDCHMDJ-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001015781156 1338307185 /nfs/dbraw/zinc/30/71/85/1338307185.db2.gz JTCZFIUGDCHMDJ-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001015976521 1338388742 /nfs/dbraw/zinc/38/87/42/1338388742.db2.gz NCKKAQUVVKWABD-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001015976521 1338388746 /nfs/dbraw/zinc/38/87/46/1338388746.db2.gz NCKKAQUVVKWABD-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001015976521 1338388748 /nfs/dbraw/zinc/38/87/48/1338388748.db2.gz NCKKAQUVVKWABD-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001015976521 1338388750 /nfs/dbraw/zinc/38/87/50/1338388750.db2.gz NCKKAQUVVKWABD-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251393 1338524718 /nfs/dbraw/zinc/52/47/18/1338524718.db2.gz LJUULKVKBFFTQB-ROUUACIJSA-N 2 1 349.906 3.077 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001016250651 1338525080 /nfs/dbraw/zinc/52/50/80/1338525080.db2.gz DYONKGXIOBAFGX-XLIONFOSSA-N 2 1 343.515 3.157 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001016339372 1338555814 /nfs/dbraw/zinc/55/58/14/1338555814.db2.gz PTIBSEOHJJPXAL-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001016339372 1338555815 /nfs/dbraw/zinc/55/58/15/1338555815.db2.gz PTIBSEOHJJPXAL-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001016339372 1338555819 /nfs/dbraw/zinc/55/58/19/1338555819.db2.gz PTIBSEOHJJPXAL-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001016339666 1338555926 /nfs/dbraw/zinc/55/59/26/1338555926.db2.gz QSUAZGLKBNNKFG-IBGZPJMESA-N 2 1 341.499 3.053 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001016340278 1338556042 /nfs/dbraw/zinc/55/60/42/1338556042.db2.gz WFBLDBLTSKEAFU-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001016340278 1338556037 /nfs/dbraw/zinc/55/60/37/1338556037.db2.gz WFBLDBLTSKEAFU-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001016340278 1338556040 /nfs/dbraw/zinc/55/60/40/1338556040.db2.gz WFBLDBLTSKEAFU-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001016623568 1338668119 /nfs/dbraw/zinc/66/81/19/1338668119.db2.gz FAFWDKZDBCVSID-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016651420 1338678929 /nfs/dbraw/zinc/67/89/29/1338678929.db2.gz HHWNPHCNNVZGPO-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001016984546 1338792389 /nfs/dbraw/zinc/79/23/89/1338792389.db2.gz DYXMYRFIEDFZKF-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001017152018 1338902050 /nfs/dbraw/zinc/90/20/50/1338902050.db2.gz KDMQYNJCPJLTNZ-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001017152018 1338902055 /nfs/dbraw/zinc/90/20/55/1338902055.db2.gz KDMQYNJCPJLTNZ-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001017152018 1338902056 /nfs/dbraw/zinc/90/20/56/1338902056.db2.gz KDMQYNJCPJLTNZ-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](C[N@@H+](C)CC3CCC3)C2)CC1 ZINC001017243329 1338974617 /nfs/dbraw/zinc/97/46/17/1338974617.db2.gz ITGVVSFUMDPXFR-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001017659583 1339385907 /nfs/dbraw/zinc/38/59/07/1339385907.db2.gz WMBRYZZEUGWWHR-AKHDSKFASA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001017659583 1339385910 /nfs/dbraw/zinc/38/59/10/1339385910.db2.gz WMBRYZZEUGWWHR-AKHDSKFASA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001017659583 1339385912 /nfs/dbraw/zinc/38/59/12/1339385912.db2.gz WMBRYZZEUGWWHR-AKHDSKFASA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001018838272 1339736324 /nfs/dbraw/zinc/73/63/24/1339736324.db2.gz WXYXDVQGGRMNLR-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028254407 1340513855 /nfs/dbraw/zinc/51/38/55/1340513855.db2.gz UEQJIXOMBKISJH-HXUWFJFHSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001028552166 1340697211 /nfs/dbraw/zinc/69/72/11/1340697211.db2.gz IFQNLAGRMDOGAN-HSALFYBXSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001028552166 1340697212 /nfs/dbraw/zinc/69/72/12/1340697212.db2.gz IFQNLAGRMDOGAN-HSALFYBXSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001028552166 1340697214 /nfs/dbraw/zinc/69/72/14/1340697214.db2.gz IFQNLAGRMDOGAN-HSALFYBXSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001028635812 1340737774 /nfs/dbraw/zinc/73/77/74/1340737774.db2.gz GUGOVUJLHSHIJX-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001028635812 1340737777 /nfs/dbraw/zinc/73/77/77/1340737777.db2.gz GUGOVUJLHSHIJX-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001028635812 1340737782 /nfs/dbraw/zinc/73/77/82/1340737782.db2.gz GUGOVUJLHSHIJX-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001029114285 1340933359 /nfs/dbraw/zinc/93/33/59/1340933359.db2.gz WXUURFSUTIOZBT-YLJYHZDGSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001029145631 1340942588 /nfs/dbraw/zinc/94/25/88/1340942588.db2.gz BXYCDPSADKSYQU-QZTJIDSGSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001029169179 1340947612 /nfs/dbraw/zinc/94/76/12/1340947612.db2.gz BZBQQJBBLPHUPE-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001029344083 1340974884 /nfs/dbraw/zinc/97/48/84/1340974884.db2.gz GNLUELOKGZVHRS-SLFFLAALSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001029344083 1340974885 /nfs/dbraw/zinc/97/48/85/1340974885.db2.gz GNLUELOKGZVHRS-SLFFLAALSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001029344083 1340974887 /nfs/dbraw/zinc/97/48/87/1340974887.db2.gz GNLUELOKGZVHRS-SLFFLAALSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1)[NH+]1CCCCCC1 ZINC001029503119 1341002537 /nfs/dbraw/zinc/00/25/37/1341002537.db2.gz JZGJBYYCXXRLPL-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001029550622 1341010675 /nfs/dbraw/zinc/01/06/75/1341010675.db2.gz SCEKWPRFTPFWHD-CEXWTWQISA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001029550622 1341010676 /nfs/dbraw/zinc/01/06/76/1341010676.db2.gz SCEKWPRFTPFWHD-CEXWTWQISA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1CCCC)C2 ZINC001029550622 1341010677 /nfs/dbraw/zinc/01/06/77/1341010677.db2.gz SCEKWPRFTPFWHD-CEXWTWQISA-N 2 1 335.536 3.116 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)C1 ZINC001029553631 1341011262 /nfs/dbraw/zinc/01/12/62/1341011262.db2.gz XCPANTXBGQBIAD-ZSYWTGECSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C)[NH+]1CCCC1 ZINC001029597858 1341018953 /nfs/dbraw/zinc/01/89/53/1341018953.db2.gz MOEXJBLFTGUBBY-OTWHNJEPSA-N 2 1 349.563 3.218 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](C[NH+](C)CC3CCCC3)C2)C1 ZINC001029816676 1341084833 /nfs/dbraw/zinc/08/48/33/1341084833.db2.gz LWTNZUFHZKZILT-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@@H](C[N@H+](C)CC3CCCC3)C2)C1 ZINC001029816676 1341084834 /nfs/dbraw/zinc/08/48/34/1341084834.db2.gz LWTNZUFHZKZILT-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@@H](C[N@@H+](C)CC3CCCC3)C2)C1 ZINC001029816676 1341084835 /nfs/dbraw/zinc/08/48/35/1341084835.db2.gz LWTNZUFHZKZILT-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](C[NH+](C)CC3CCCC3)C2)C1 ZINC001029816674 1341085027 /nfs/dbraw/zinc/08/50/27/1341085027.db2.gz LWTNZUFHZKZILT-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@@H](C[N@H+](C)CC3CCCC3)C2)C1 ZINC001029816674 1341085028 /nfs/dbraw/zinc/08/50/28/1341085028.db2.gz LWTNZUFHZKZILT-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@@H](C[N@@H+](C)CC3CCCC3)C2)C1 ZINC001029816674 1341085029 /nfs/dbraw/zinc/08/50/29/1341085029.db2.gz LWTNZUFHZKZILT-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCC2)C1 ZINC001029886678 1341105036 /nfs/dbraw/zinc/10/50/36/1341105036.db2.gz IBUGORARYCENMQ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001029886678 1341105037 /nfs/dbraw/zinc/10/50/37/1341105037.db2.gz IBUGORARYCENMQ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029886678 1341105039 /nfs/dbraw/zinc/10/50/39/1341105039.db2.gz IBUGORARYCENMQ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)CC1CCC(C)(C)CC1 ZINC001029905649 1341111197 /nfs/dbraw/zinc/11/11/97/1341111197.db2.gz QYPXBFWTBAUIOI-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH+](C)CC2CC(C)(C)C2)CC1 ZINC001029995788 1341151028 /nfs/dbraw/zinc/15/10/28/1341151028.db2.gz YVTUTJYYGWENSX-KRWDZBQOSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC(C[N@H+](C)CC2CC(C)(C)C2)CC1 ZINC001029995788 1341151030 /nfs/dbraw/zinc/15/10/30/1341151030.db2.gz YVTUTJYYGWENSX-KRWDZBQOSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC(C[N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC001029995788 1341151032 /nfs/dbraw/zinc/15/10/32/1341151032.db2.gz YVTUTJYYGWENSX-KRWDZBQOSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH+](C)CC2=CCCCC2)CC1 ZINC001029995141 1341151184 /nfs/dbraw/zinc/15/11/84/1341151184.db2.gz AJIOSXGWFVAYHH-SFHVURJKSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC(C[N@H+](C)CC2=CCCCC2)CC1 ZINC001029995141 1341151186 /nfs/dbraw/zinc/15/11/86/1341151186.db2.gz AJIOSXGWFVAYHH-SFHVURJKSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC(C[N@@H+](C)CC2=CCCCC2)CC1 ZINC001029995141 1341151188 /nfs/dbraw/zinc/15/11/88/1341151188.db2.gz AJIOSXGWFVAYHH-SFHVURJKSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001030013762 1341158045 /nfs/dbraw/zinc/15/80/45/1341158045.db2.gz SHDUIVNSEOOADT-GOSISDBHSA-N 2 1 343.515 3.014 20 0 EGADMP C[C@@H](C(=O)NC1C[NH+](CCC2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC001031050021 1341270211 /nfs/dbraw/zinc/27/02/11/1341270211.db2.gz XDDNCWVLAZRKBV-SFHVURJKSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001031715102 1341392053 /nfs/dbraw/zinc/39/20/53/1341392053.db2.gz PWFFIFAVXZVIDE-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001031766738 1341399107 /nfs/dbraw/zinc/39/91/07/1341399107.db2.gz MLFIIVOEAYNFRK-WOJBJXKFSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NCC1C[NH+](CCC2CCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001032042762 1341444542 /nfs/dbraw/zinc/44/45/42/1341444542.db2.gz JPTXYNVVZSKQLK-VQTJNVASSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCC1 ZINC001032663874 1341575791 /nfs/dbraw/zinc/57/57/91/1341575791.db2.gz HCGKRKYQEOGHFG-UFYCRDLUSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCC1 ZINC001032663874 1341575792 /nfs/dbraw/zinc/57/57/92/1341575792.db2.gz HCGKRKYQEOGHFG-UFYCRDLUSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCC1 ZINC001032663874 1341575793 /nfs/dbraw/zinc/57/57/93/1341575793.db2.gz HCGKRKYQEOGHFG-UFYCRDLUSA-N 2 1 347.547 3.115 20 0 EGADMP C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCC1)[NH+]1CCCCCC1 ZINC001032664545 1341575929 /nfs/dbraw/zinc/57/59/29/1341575929.db2.gz HJOPLDCJVGSOKB-HOJAQTOUSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033145902 1341739291 /nfs/dbraw/zinc/73/92/91/1341739291.db2.gz LOOZRLFYELDMJC-ROUUACIJSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001033145902 1341739292 /nfs/dbraw/zinc/73/92/92/1341739292.db2.gz LOOZRLFYELDMJC-ROUUACIJSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001033145902 1341739293 /nfs/dbraw/zinc/73/92/93/1341739293.db2.gz LOOZRLFYELDMJC-ROUUACIJSA-N 2 1 349.544 3.044 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001033198725 1341750583 /nfs/dbraw/zinc/75/05/83/1341750583.db2.gz MZFHSWRIHQJCLQ-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033198725 1341750584 /nfs/dbraw/zinc/75/05/84/1341750584.db2.gz MZFHSWRIHQJCLQ-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033198725 1341750585 /nfs/dbraw/zinc/75/05/85/1341750585.db2.gz MZFHSWRIHQJCLQ-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001033466635 1341837222 /nfs/dbraw/zinc/83/72/22/1341837222.db2.gz HATJBHZZXMAUEB-WMZOPIPTSA-N 2 1 349.544 3.045 20 0 EGADMP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001033530454 1341860205 /nfs/dbraw/zinc/86/02/05/1341860205.db2.gz BCHYOMBBZISELH-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033684460 1341949940 /nfs/dbraw/zinc/94/99/40/1341949940.db2.gz FSQOOKFQQRDSEY-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033684460 1341949943 /nfs/dbraw/zinc/94/99/43/1341949943.db2.gz FSQOOKFQQRDSEY-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033684460 1341949947 /nfs/dbraw/zinc/94/99/47/1341949947.db2.gz FSQOOKFQQRDSEY-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033686493 1341951908 /nfs/dbraw/zinc/95/19/08/1341951908.db2.gz PMVGWXMXTRDQOE-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033686493 1341951910 /nfs/dbraw/zinc/95/19/10/1341951910.db2.gz PMVGWXMXTRDQOE-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033686493 1341951911 /nfs/dbraw/zinc/95/19/11/1341951911.db2.gz PMVGWXMXTRDQOE-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034272605 1342364336 /nfs/dbraw/zinc/36/43/36/1342364336.db2.gz VYVLARHYJCQMLO-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034272605 1342364338 /nfs/dbraw/zinc/36/43/38/1342364338.db2.gz VYVLARHYJCQMLO-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCCCC2)C1 ZINC001034272605 1342364343 /nfs/dbraw/zinc/36/43/43/1342364343.db2.gz VYVLARHYJCQMLO-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCCCC2)C1 ZINC001034272605 1342364345 /nfs/dbraw/zinc/36/43/45/1342364345.db2.gz VYVLARHYJCQMLO-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP O=C(N[C@H]1CCCC[N@@H+](CC2CC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001034366665 1342436013 /nfs/dbraw/zinc/43/60/13/1342436013.db2.gz CHFMSJLRYIXYPF-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCCC[NH+](CC2CC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001034366665 1342436018 /nfs/dbraw/zinc/43/60/18/1342436018.db2.gz CHFMSJLRYIXYPF-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCCC[NH+](CC2CC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001034366665 1342436019 /nfs/dbraw/zinc/43/60/19/1342436019.db2.gz CHFMSJLRYIXYPF-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC001034366346 1342436578 /nfs/dbraw/zinc/43/65/78/1342436578.db2.gz ZOGLNZIZYQGGRL-QGZVFWFLSA-N 2 1 349.519 3.362 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCCC[N@@H+](CCC(C)(C)C)C1 ZINC001034366346 1342436581 /nfs/dbraw/zinc/43/65/81/1342436581.db2.gz ZOGLNZIZYQGGRL-QGZVFWFLSA-N 2 1 349.519 3.362 20 0 EGADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)cs1 ZINC001034400906 1342466332 /nfs/dbraw/zinc/46/63/32/1342466332.db2.gz YOTULWQPJQMZHZ-CRAIPNDOSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)cs1 ZINC001034400906 1342466335 /nfs/dbraw/zinc/46/63/35/1342466335.db2.gz YOTULWQPJQMZHZ-CRAIPNDOSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)cs1 ZINC001034400906 1342466337 /nfs/dbraw/zinc/46/63/37/1342466337.db2.gz YOTULWQPJQMZHZ-CRAIPNDOSA-N 2 1 349.544 3.012 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2CCCC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001034431508 1342493642 /nfs/dbraw/zinc/49/36/42/1342493642.db2.gz LSVQULBPSJGSFC-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2CCCC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001034432211 1342494437 /nfs/dbraw/zinc/49/44/37/1342494437.db2.gz SRFOYIKLFWDKIX-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034440011 1342500876 /nfs/dbraw/zinc/50/08/76/1342500876.db2.gz YIFVQYCBBXIQLL-RTBURBONSA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445523 1342505752 /nfs/dbraw/zinc/50/57/52/1342505752.db2.gz VCUDZJMDXOLKMA-LJQANCHMSA-N 2 1 331.504 3.133 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034476245 1342531488 /nfs/dbraw/zinc/53/14/88/1342531488.db2.gz BVVFTAUGAAYCET-HXUWFJFHSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034536442 1342592745 /nfs/dbraw/zinc/59/27/45/1342592745.db2.gz FZVLIGAINBIYSS-YLJYHZDGSA-N 2 1 345.531 3.379 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034537489 1342594956 /nfs/dbraw/zinc/59/49/56/1342594956.db2.gz CFLINYOBHRXZPB-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2=CCCCC2)C1 ZINC001034537489 1342594961 /nfs/dbraw/zinc/59/49/61/1342594961.db2.gz CFLINYOBHRXZPB-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2=CCCCC2)C1 ZINC001034537489 1342594968 /nfs/dbraw/zinc/59/49/68/1342594968.db2.gz CFLINYOBHRXZPB-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001034716276 1342711480 /nfs/dbraw/zinc/71/14/80/1342711480.db2.gz VTPQKTMXPNLUSG-ZHALLVOQSA-N 2 1 335.536 3.209 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001034738877 1342729657 /nfs/dbraw/zinc/72/96/57/1342729657.db2.gz XBFLCTANJIOKRD-WDSOQIARSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001034738852 1342730200 /nfs/dbraw/zinc/73/02/00/1342730200.db2.gz WIYBGWNYEAEHCQ-VBSBHUPXSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC2CCC2)cc1 ZINC001034817012 1342780997 /nfs/dbraw/zinc/78/09/97/1342780997.db2.gz NQDRABHGGAQCKR-HXUWFJFHSA-N 2 1 343.515 3.067 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001034973353 1342859817 /nfs/dbraw/zinc/85/98/17/1342859817.db2.gz PDSONKBGAQOXBS-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC2(CC[N@@H+](C(C)C)C2)CC1 ZINC001035186521 1343001349 /nfs/dbraw/zinc/00/13/49/1343001349.db2.gz GCWJUKPFLLOTJA-KRWDZBQOSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC2(CC[N@H+](C(C)C)C2)CC1 ZINC001035186521 1343001354 /nfs/dbraw/zinc/00/13/54/1343001354.db2.gz GCWJUKPFLLOTJA-KRWDZBQOSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CC[NH+](CC=C(C)C)C2)CC1 ZINC001035188814 1343003510 /nfs/dbraw/zinc/00/35/10/1343003510.db2.gz KSCALGOCQPCNGU-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC2(CC[N@H+](CC=C(C)C)C2)CC1 ZINC001035188814 1343003514 /nfs/dbraw/zinc/00/35/14/1343003514.db2.gz KSCALGOCQPCNGU-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CC=C(C)C)C2)CC1 ZINC001035188814 1343003517 /nfs/dbraw/zinc/00/35/17/1343003517.db2.gz KSCALGOCQPCNGU-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CC2 ZINC001035226259 1343046953 /nfs/dbraw/zinc/04/69/53/1343046953.db2.gz FRTSSTOXWCZNTJ-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)CC2 ZINC001035226259 1343046956 /nfs/dbraw/zinc/04/69/56/1343046956.db2.gz FRTSSTOXWCZNTJ-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001035233919 1343056504 /nfs/dbraw/zinc/05/65/04/1343056504.db2.gz OVKMIZWWBVVQAE-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC001036580574 1343563700 /nfs/dbraw/zinc/56/37/00/1343563700.db2.gz DLKRFUXQXWMSBX-SJORKVTESA-N 2 1 334.508 3.022 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001038315647 1344376115 /nfs/dbraw/zinc/37/61/15/1344376115.db2.gz SQTZPONCGGMEJU-INIZCTEOSA-N 2 1 337.533 3.050 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001038315647 1344376116 /nfs/dbraw/zinc/37/61/16/1344376116.db2.gz SQTZPONCGGMEJU-INIZCTEOSA-N 2 1 337.533 3.050 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001038321504 1344379341 /nfs/dbraw/zinc/37/93/41/1344379341.db2.gz MSMRJSCEFILXHJ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001038321504 1344379345 /nfs/dbraw/zinc/37/93/45/1344379345.db2.gz MSMRJSCEFILXHJ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001038321504 1344379347 /nfs/dbraw/zinc/37/93/47/1344379347.db2.gz MSMRJSCEFILXHJ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CCC1CCCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038352495 1344393402 /nfs/dbraw/zinc/39/34/02/1344393402.db2.gz ICXTXOCCMFRREG-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CCC1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038352495 1344393408 /nfs/dbraw/zinc/39/34/08/1344393408.db2.gz ICXTXOCCMFRREG-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CCC1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038352495 1344393413 /nfs/dbraw/zinc/39/34/13/1344393413.db2.gz ICXTXOCCMFRREG-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CCC1CCCCC1)C12CCC[NH+](CCC1)C2 ZINC001038405051 1344413911 /nfs/dbraw/zinc/41/39/11/1344413911.db2.gz KRLHELCQEQPBBV-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP Cc1c(C(=O)NC[C@@H]2CC[N@H+]2CCCC2CCC2)ccc2c[nH+]cn21 ZINC001038441337 1344429820 /nfs/dbraw/zinc/42/98/20/1344429820.db2.gz IADUFJHDSVTVPR-KRWDZBQOSA-N 2 1 340.471 3.027 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCCC2CCCC2)C1 ZINC001038620255 1344508389 /nfs/dbraw/zinc/50/83/89/1344508389.db2.gz BOPOKDAYHDBVRB-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCC2CCCC2)C1 ZINC001038620255 1344508391 /nfs/dbraw/zinc/50/83/91/1344508391.db2.gz BOPOKDAYHDBVRB-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCCC2CCCC2)C1 ZINC001038620255 1344508392 /nfs/dbraw/zinc/50/83/92/1344508392.db2.gz BOPOKDAYHDBVRB-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038620149 1344508410 /nfs/dbraw/zinc/50/84/10/1344508410.db2.gz CDFUIVDOAUQDCC-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038620149 1344508411 /nfs/dbraw/zinc/50/84/11/1344508411.db2.gz CDFUIVDOAUQDCC-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001038620149 1344508413 /nfs/dbraw/zinc/50/84/13/1344508413.db2.gz CDFUIVDOAUQDCC-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2CC2=CCCCC2)cc1 ZINC001038822715 1344598980 /nfs/dbraw/zinc/59/89/80/1344598980.db2.gz LAAHYKWLEUCEJU-HXUWFJFHSA-N 2 1 341.499 3.053 20 0 EGADMP CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039166854 1344852934 /nfs/dbraw/zinc/85/29/34/1344852934.db2.gz GOESQJNDKFSDLQ-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167258 1344853495 /nfs/dbraw/zinc/85/34/95/1344853495.db2.gz PXFDOPWOVCJSCS-VQTJNVASSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC001039167258 1344853496 /nfs/dbraw/zinc/85/34/96/1344853496.db2.gz PXFDOPWOVCJSCS-VQTJNVASSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC001039167258 1344853498 /nfs/dbraw/zinc/85/34/98/1344853498.db2.gz PXFDOPWOVCJSCS-VQTJNVASSA-N 2 1 349.563 3.218 20 0 EGADMP CCCC[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039183122 1344880988 /nfs/dbraw/zinc/88/09/88/1344880988.db2.gz WOVRHNIGANDEOS-FQEVSTJZSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001039289340 1344998527 /nfs/dbraw/zinc/99/85/27/1344998527.db2.gz RCAKQCHREYAVOQ-YGFFAISXSA-N 2 1 349.563 3.407 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001039528574 1345130983 /nfs/dbraw/zinc/13/09/83/1345130983.db2.gz PJWLJGCHLXFUKN-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001039528574 1345130985 /nfs/dbraw/zinc/13/09/85/1345130985.db2.gz PJWLJGCHLXFUKN-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001039528574 1345130987 /nfs/dbraw/zinc/13/09/87/1345130987.db2.gz PJWLJGCHLXFUKN-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001039579087 1345145332 /nfs/dbraw/zinc/14/53/32/1345145332.db2.gz HZXCISRPPZLQNN-OTWHNJEPSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001039579087 1345145335 /nfs/dbraw/zinc/14/53/35/1345145335.db2.gz HZXCISRPPZLQNN-OTWHNJEPSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001039579087 1345145340 /nfs/dbraw/zinc/14/53/40/1345145340.db2.gz HZXCISRPPZLQNN-OTWHNJEPSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1=CCCCC1)[NH+](C)C ZINC001039658597 1345153883 /nfs/dbraw/zinc/15/38/83/1345153883.db2.gz RTGHXNYAZGTVKI-ZCNNSNEGSA-N 2 1 347.547 3.138 20 0 EGADMP CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCCCC1)[NH+](C)C ZINC001039681925 1345158165 /nfs/dbraw/zinc/15/81/65/1345158165.db2.gz XSDOOWJNUARDKJ-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCC1)[NH+]1CCCCCC1 ZINC001039939541 1345252944 /nfs/dbraw/zinc/25/29/44/1345252944.db2.gz KLXNAASXROWMQZ-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C(C)C)C2 ZINC001040211709 1345377221 /nfs/dbraw/zinc/37/72/21/1345377221.db2.gz YHLGKOHTTYZEQG-XLIONFOSSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040211709 1345377223 /nfs/dbraw/zinc/37/72/23/1345377223.db2.gz YHLGKOHTTYZEQG-XLIONFOSSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040322290 1345431478 /nfs/dbraw/zinc/43/14/78/1345431478.db2.gz JEBSJDSFLUFIIE-OAQYLSRUSA-N 2 1 347.547 3.142 20 0 EGADMP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040421622 1345488110 /nfs/dbraw/zinc/48/81/10/1345488110.db2.gz HGVJMICLSNHWTE-HXUWFJFHSA-N 2 1 346.519 3.121 20 0 EGADMP CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001040421622 1345488115 /nfs/dbraw/zinc/48/81/15/1345488115.db2.gz HGVJMICLSNHWTE-HXUWFJFHSA-N 2 1 346.519 3.121 20 0 EGADMP CC(C)[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001040452748 1345507888 /nfs/dbraw/zinc/50/78/88/1345507888.db2.gz KHLIVWMKAWELSB-OAQYLSRUSA-N 2 1 343.515 3.085 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](C(C)C)C2 ZINC001040487731 1345516443 /nfs/dbraw/zinc/51/64/43/1345516443.db2.gz GQKFSFXHSRNGRG-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C(C)C)C2 ZINC001040487731 1345516447 /nfs/dbraw/zinc/51/64/47/1345516447.db2.gz GQKFSFXHSRNGRG-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040487731 1345516449 /nfs/dbraw/zinc/51/64/49/1345516449.db2.gz GQKFSFXHSRNGRG-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@H](C)CC)CC2 ZINC001040723718 1345571000 /nfs/dbraw/zinc/57/10/00/1345571000.db2.gz LDUGFYWDIOAOSC-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001040746588 1345573923 /nfs/dbraw/zinc/57/39/23/1345573923.db2.gz DXDGRWXLVNDPLH-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040914223 1345599350 /nfs/dbraw/zinc/59/93/50/1345599350.db2.gz MGDMMMOCJRDUFA-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001040953192 1345609298 /nfs/dbraw/zinc/60/92/98/1345609298.db2.gz KUZFNDFXCYYGEC-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041285969 1345694005 /nfs/dbraw/zinc/69/40/05/1345694005.db2.gz ILEUHPXXGJBKNC-OAQYLSRUSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CCC3CCCCC3)C2)C1)[NH+](C)C ZINC001041694661 1345821028 /nfs/dbraw/zinc/82/10/28/1345821028.db2.gz XGTDEHRLASEWPW-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC1CC[NH+](CC(=O)N2CC[C@@H]3CC[N@@H+](CCC(C)(C)C)[C@H]3C2)CC1 ZINC001042287133 1346017947 /nfs/dbraw/zinc/01/79/47/1346017947.db2.gz GDTWYNIJWDDFMO-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297101 1346021586 /nfs/dbraw/zinc/02/15/86/1346021586.db2.gz LYRVNTCLJMIEMH-AZUAARDMSA-N 2 1 349.563 3.076 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1C[NH+](CCC2CCCC2)C1 ZINC001042924777 1346125041 /nfs/dbraw/zinc/12/50/41/1346125041.db2.gz UTJAVWQEOMATKM-FQEVSTJZSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CCC(C)(C)C)C1 ZINC001044170833 1346265523 /nfs/dbraw/zinc/26/55/23/1346265523.db2.gz VBRGPESJNPYUPU-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001044768265 1346424624 /nfs/dbraw/zinc/42/46/24/1346424624.db2.gz UFSNVTAVFSEZMI-IAGOWNOFSA-N 2 1 334.508 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001045163969 1346511947 /nfs/dbraw/zinc/51/19/47/1346511947.db2.gz CHCGRXBNKJBJCD-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001045437838 1346593591 /nfs/dbraw/zinc/59/35/91/1346593591.db2.gz GFJJIBVYUIEMAV-SFHVURJKSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CCC2CCCC2)CC1 ZINC001045437990 1346594052 /nfs/dbraw/zinc/59/40/52/1346594052.db2.gz IFYVTTVLFKLQOT-IBGZPJMESA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001045444976 1346595320 /nfs/dbraw/zinc/59/53/20/1346595320.db2.gz NEWFXEFFHFATNF-YQVWRLOYSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC2(C)CC[NH+](CCCC3CCC3)CC2)CC[N@H+]1C ZINC001045534308 1346620294 /nfs/dbraw/zinc/62/02/94/1346620294.db2.gz JGUSTIOVYAEDLH-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001045803529 1346702747 /nfs/dbraw/zinc/70/27/47/1346702747.db2.gz XNSNMKPCCGKGNU-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001045803529 1346702749 /nfs/dbraw/zinc/70/27/49/1346702749.db2.gz XNSNMKPCCGKGNU-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001045803529 1346702751 /nfs/dbraw/zinc/70/27/51/1346702751.db2.gz XNSNMKPCCGKGNU-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)CC1 ZINC001045859671 1346723725 /nfs/dbraw/zinc/72/37/25/1346723725.db2.gz GAEQNEMQVDDEFZ-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001045921610 1346758347 /nfs/dbraw/zinc/75/83/47/1346758347.db2.gz PJGTXOBQBKDKQJ-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001045921610 1346758349 /nfs/dbraw/zinc/75/83/49/1346758349.db2.gz PJGTXOBQBKDKQJ-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001045921610 1346758351 /nfs/dbraw/zinc/75/83/51/1346758351.db2.gz PJGTXOBQBKDKQJ-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001045948637 1346784292 /nfs/dbraw/zinc/78/42/92/1346784292.db2.gz NCHFHGTZVKBZCX-TZIWHRDSSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045948637 1346784293 /nfs/dbraw/zinc/78/42/93/1346784293.db2.gz NCHFHGTZVKBZCX-TZIWHRDSSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045948637 1346784294 /nfs/dbraw/zinc/78/42/94/1346784294.db2.gz NCHFHGTZVKBZCX-TZIWHRDSSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001045951918 1346786996 /nfs/dbraw/zinc/78/69/96/1346786996.db2.gz KJEMWFQLUARHIX-FQEVSTJZSA-N 2 1 340.471 3.061 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCCC[C@@]3(CC[NH+](C(C)C)C3)C2)C1 ZINC001045960122 1346794858 /nfs/dbraw/zinc/79/48/58/1346794858.db2.gz AQRAMBUWYPUZLW-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCCC[C@@]3(CC[N@@H+](C(C)C)C3)C2)C1 ZINC001045960122 1346794865 /nfs/dbraw/zinc/79/48/65/1346794865.db2.gz AQRAMBUWYPUZLW-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCCC[C@@]3(CC[N@H+](C(C)C)C3)C2)C1 ZINC001045960122 1346794868 /nfs/dbraw/zinc/79/48/68/1346794868.db2.gz AQRAMBUWYPUZLW-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@@]3(CC[NH+](C(C)C)C3)C2)C1 ZINC001045960121 1346795106 /nfs/dbraw/zinc/79/51/06/1346795106.db2.gz AQRAMBUWYPUZLW-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCCC[C@@]3(CC[N@@H+](C(C)C)C3)C2)C1 ZINC001045960121 1346795108 /nfs/dbraw/zinc/79/51/08/1346795108.db2.gz AQRAMBUWYPUZLW-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCCC[C@@]3(CC[N@H+](C(C)C)C3)C2)C1 ZINC001045960121 1346795110 /nfs/dbraw/zinc/79/51/10/1346795110.db2.gz AQRAMBUWYPUZLW-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001045969576 1346804853 /nfs/dbraw/zinc/80/48/53/1346804853.db2.gz TYMVGHQWUGVMNF-FQEVSTJZSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001045969576 1346804854 /nfs/dbraw/zinc/80/48/54/1346804854.db2.gz TYMVGHQWUGVMNF-FQEVSTJZSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCC2=CCCCC2)C1 ZINC001046315284 1346931482 /nfs/dbraw/zinc/93/14/82/1346931482.db2.gz JNGRPJYSCJRSRO-FPOVZHCZSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCC2=CCCCC2)C1 ZINC001046315284 1346931484 /nfs/dbraw/zinc/93/14/84/1346931484.db2.gz JNGRPJYSCJRSRO-FPOVZHCZSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCC2=CCCCC2)C1 ZINC001046315284 1346931485 /nfs/dbraw/zinc/93/14/85/1346931485.db2.gz JNGRPJYSCJRSRO-FPOVZHCZSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001047225664 1347256570 /nfs/dbraw/zinc/25/65/70/1347256570.db2.gz GYLCCQZNBYKUHB-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001047244850 1347270599 /nfs/dbraw/zinc/27/05/99/1347270599.db2.gz VNCIMLFYMWLQTO-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001047266342 1347287503 /nfs/dbraw/zinc/28/75/03/1347287503.db2.gz WMLXTAXNOAWXSW-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001048527533 1347578700 /nfs/dbraw/zinc/57/87/00/1347578700.db2.gz ROTZOEHDIYDJAM-OBKDMQGPSA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001048527533 1347578705 /nfs/dbraw/zinc/57/87/05/1347578705.db2.gz ROTZOEHDIYDJAM-OBKDMQGPSA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001048527533 1347578707 /nfs/dbraw/zinc/57/87/07/1347578707.db2.gz ROTZOEHDIYDJAM-OBKDMQGPSA-N 2 1 349.563 3.265 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048573882 1347599908 /nfs/dbraw/zinc/59/99/08/1347599908.db2.gz HEAQNMZOSBZAAU-UHZRXMQZSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[N@@H+]31)C2 ZINC001048573882 1347599913 /nfs/dbraw/zinc/59/99/13/1347599913.db2.gz HEAQNMZOSBZAAU-UHZRXMQZSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)C2 ZINC001048573882 1347599915 /nfs/dbraw/zinc/59/99/15/1347599915.db2.gz HEAQNMZOSBZAAU-UHZRXMQZSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001048590748 1347609682 /nfs/dbraw/zinc/60/96/82/1347609682.db2.gz YNROLMDFHVHTNB-GGPHIMKMSA-N 2 1 343.515 3.131 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001048606548 1347616584 /nfs/dbraw/zinc/61/65/84/1347616584.db2.gz SISLEEATPQNGKB-VAMGGRTRSA-N 2 1 349.563 3.173 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCC1CCCC1 ZINC001049367687 1347807907 /nfs/dbraw/zinc/80/79/07/1347807907.db2.gz ASPXRFONBVQQIJ-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC1CCCC1 ZINC001049367687 1347807910 /nfs/dbraw/zinc/80/79/10/1347807910.db2.gz ASPXRFONBVQQIJ-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC1CCCC1 ZINC001049367687 1347807914 /nfs/dbraw/zinc/80/79/14/1347807914.db2.gz ASPXRFONBVQQIJ-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CC1)[NH+]1CCCCC1 ZINC001049478505 1347868411 /nfs/dbraw/zinc/86/84/11/1347868411.db2.gz PCMANKWLSMGROU-MOPGFXCFSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1=CCCCC1 ZINC001049553490 1347905995 /nfs/dbraw/zinc/90/59/95/1347905995.db2.gz VKBXWNUTGJXCQM-SLFFLAALSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1=CCCCC1 ZINC001049553490 1347905996 /nfs/dbraw/zinc/90/59/96/1347905996.db2.gz VKBXWNUTGJXCQM-SLFFLAALSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1=CCCCC1 ZINC001049553490 1347906000 /nfs/dbraw/zinc/90/60/00/1347906000.db2.gz VKBXWNUTGJXCQM-SLFFLAALSA-N 2 1 345.531 3.036 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCCC1 ZINC001049557015 1347908253 /nfs/dbraw/zinc/90/82/53/1347908253.db2.gz FOOJXBFMNCARLL-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCCC1 ZINC001049557015 1347908255 /nfs/dbraw/zinc/90/82/55/1347908255.db2.gz FOOJXBFMNCARLL-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCCC1 ZINC001049557015 1347908258 /nfs/dbraw/zinc/90/82/58/1347908258.db2.gz FOOJXBFMNCARLL-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1C ZINC001079805471 1357388256 /nfs/dbraw/zinc/38/82/56/1357388256.db2.gz SFRZYACAPRQQKY-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1C ZINC001079805471 1357388261 /nfs/dbraw/zinc/38/82/61/1357388261.db2.gz SFRZYACAPRQQKY-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1C ZINC001079805471 1357388265 /nfs/dbraw/zinc/38/82/65/1357388265.db2.gz SFRZYACAPRQQKY-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049926666 1348117665 /nfs/dbraw/zinc/11/76/65/1348117665.db2.gz QKXSCIBMEZLZCE-QZTJIDSGSA-N 2 1 347.503 3.210 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050051537 1348166170 /nfs/dbraw/zinc/16/61/70/1348166170.db2.gz ZYJBCZQQIAYYGX-VNTMZGSJSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050051537 1348166172 /nfs/dbraw/zinc/16/61/72/1348166172.db2.gz ZYJBCZQQIAYYGX-VNTMZGSJSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050051537 1348166173 /nfs/dbraw/zinc/16/61/73/1348166173.db2.gz ZYJBCZQQIAYYGX-VNTMZGSJSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC001050302075 1348227993 /nfs/dbraw/zinc/22/79/93/1348227993.db2.gz AUVUXDKAKSSFJW-HNBVOPMISA-N 2 1 343.515 3.106 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCCCC3)CC2)C1 ZINC001050389965 1348247814 /nfs/dbraw/zinc/24/78/14/1348247814.db2.gz JAYGRHVBDVRTJZ-UFYCRDLUSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052377072 1348535385 /nfs/dbraw/zinc/53/53/85/1348535385.db2.gz MQRCPXFTQKWCJS-GOSISDBHSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001052378224 1348535733 /nfs/dbraw/zinc/53/57/33/1348535733.db2.gz UPMOZKYRIQEMTN-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001052378224 1348535735 /nfs/dbraw/zinc/53/57/35/1348535735.db2.gz UPMOZKYRIQEMTN-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001052378224 1348535738 /nfs/dbraw/zinc/53/57/38/1348535738.db2.gz UPMOZKYRIQEMTN-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1)[NH+]1CCCCC1 ZINC001052377695 1348535858 /nfs/dbraw/zinc/53/58/58/1348535858.db2.gz QBPZLRXCLRUPNB-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052446994 1348543912 /nfs/dbraw/zinc/54/39/12/1348543912.db2.gz VHBPSLJLTLXJLZ-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052446994 1348543913 /nfs/dbraw/zinc/54/39/13/1348543913.db2.gz VHBPSLJLTLXJLZ-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052446994 1348543915 /nfs/dbraw/zinc/54/39/15/1348543915.db2.gz VHBPSLJLTLXJLZ-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447948 1348544230 /nfs/dbraw/zinc/54/42/30/1348544230.db2.gz QKYJLQRSXFYOJB-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052447948 1348544233 /nfs/dbraw/zinc/54/42/33/1348544233.db2.gz QKYJLQRSXFYOJB-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052447948 1348544234 /nfs/dbraw/zinc/54/42/34/1348544234.db2.gz QKYJLQRSXFYOJB-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001052499568 1348560324 /nfs/dbraw/zinc/56/03/24/1348560324.db2.gz YHECPJJACGBOCL-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC001052499568 1348560326 /nfs/dbraw/zinc/56/03/26/1348560326.db2.gz YHECPJJACGBOCL-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC001052499568 1348560327 /nfs/dbraw/zinc/56/03/27/1348560327.db2.gz YHECPJJACGBOCL-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CCC3CCCCC3)CC2)C1 ZINC001052712512 1348644680 /nfs/dbraw/zinc/64/46/80/1348644680.db2.gz JOZQYBHJUNAYDR-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCC3CCCCC3)CC2)C1 ZINC001052712512 1348644682 /nfs/dbraw/zinc/64/46/82/1348644682.db2.gz JOZQYBHJUNAYDR-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCC3CCCCC3)CC2)C1 ZINC001052712512 1348644683 /nfs/dbraw/zinc/64/46/83/1348644683.db2.gz JOZQYBHJUNAYDR-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@@H+](CC3CC(C)(C)C3)CC2)CC1 ZINC001052767856 1348671524 /nfs/dbraw/zinc/67/15/24/1348671524.db2.gz YRBJXPHLGJPVHK-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](F)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052787963 1348679434 /nfs/dbraw/zinc/67/94/34/1348679434.db2.gz OJRWIGDWKIWELM-RBUKOAKNSA-N 2 1 349.494 3.081 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052838062 1348696250 /nfs/dbraw/zinc/69/62/50/1348696250.db2.gz ZPZNAPGPBVSGJX-LJQANCHMSA-N 2 1 335.536 3.044 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCC2CCCCC2)CC1)C12CC[NH+](CC1)C2 ZINC001052871019 1348711862 /nfs/dbraw/zinc/71/18/62/1348711862.db2.gz BGNAEWUSKMYAIM-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC001052931149 1348753466 /nfs/dbraw/zinc/75/34/66/1348753466.db2.gz OSWJHZYDMJHHOD-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001052931149 1348753471 /nfs/dbraw/zinc/75/34/71/1348753471.db2.gz OSWJHZYDMJHHOD-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001052930779 1348753737 /nfs/dbraw/zinc/75/37/37/1348753737.db2.gz GDVFXSMHEZMSBK-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001052930779 1348753740 /nfs/dbraw/zinc/75/37/40/1348753740.db2.gz GDVFXSMHEZMSBK-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029973 1348829115 /nfs/dbraw/zinc/82/91/15/1348829115.db2.gz ZGTXTLQWQZJAHM-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029841 1348829307 /nfs/dbraw/zinc/82/93/07/1348829307.db2.gz WUHIFEMBQSWELY-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053038662 1348840331 /nfs/dbraw/zinc/84/03/31/1348840331.db2.gz ABPDNMWPOBUCQB-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001053038662 1348840333 /nfs/dbraw/zinc/84/03/33/1348840333.db2.gz ABPDNMWPOBUCQB-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001053038662 1348840335 /nfs/dbraw/zinc/84/03/35/1348840335.db2.gz ABPDNMWPOBUCQB-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001053098980 1348931380 /nfs/dbraw/zinc/93/13/80/1348931380.db2.gz RRFDDYTXHPGQCB-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001053098980 1348931386 /nfs/dbraw/zinc/93/13/86/1348931386.db2.gz RRFDDYTXHPGQCB-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)cc2C1 ZINC001054269581 1349268084 /nfs/dbraw/zinc/26/80/84/1349268084.db2.gz FVOZIYWSOGBWEC-VQTJNVASSA-N 2 1 341.499 3.045 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)cc2C1 ZINC001054269581 1349268087 /nfs/dbraw/zinc/26/80/87/1349268087.db2.gz FVOZIYWSOGBWEC-VQTJNVASSA-N 2 1 341.499 3.045 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)cc2C1 ZINC001054269581 1349268090 /nfs/dbraw/zinc/26/80/90/1349268090.db2.gz FVOZIYWSOGBWEC-VQTJNVASSA-N 2 1 341.499 3.045 20 0 EGADMP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001054738245 1349450658 /nfs/dbraw/zinc/45/06/58/1349450658.db2.gz OKAIWWXPPVFVRN-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@@H+](Cc1cc(Br)ncc1Cl)CC1CC[NH+](C)CC1 ZINC001233427461 1376644332 /nfs/dbraw/zinc/64/43/32/1376644332.db2.gz XESBPVGHVCOOIH-UHFFFAOYSA-N 2 1 346.700 3.271 20 0 EGADMP C[N@H+](Cc1cc(Br)ncc1Cl)CC1CC[NH+](C)CC1 ZINC001233427461 1376644336 /nfs/dbraw/zinc/64/43/36/1376644336.db2.gz XESBPVGHVCOOIH-UHFFFAOYSA-N 2 1 346.700 3.271 20 0 EGADMP CC(C)CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071508240 1354733893 /nfs/dbraw/zinc/73/38/93/1354733893.db2.gz LHCLWGFEYDJHMC-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@H+]1CCC1CC1 ZINC001071508588 1354733926 /nfs/dbraw/zinc/73/39/26/1354733926.db2.gz QHLLLAIBSYSYDL-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@H+]1CCC(C)(C)C ZINC001071689195 1354851909 /nfs/dbraw/zinc/85/19/09/1354851909.db2.gz HLZWMAGVTUVIEL-DOTOQJQBSA-N 2 1 342.487 3.353 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CC1CCCC1 ZINC001071735041 1354887125 /nfs/dbraw/zinc/88/71/25/1354887125.db2.gz FGBXTMWFFCRIDQ-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001071827840 1354964631 /nfs/dbraw/zinc/96/46/31/1354964631.db2.gz FCUNEJCSMRAGBD-PXNSSMCTSA-N 2 1 345.531 3.029 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001071868458 1354994071 /nfs/dbraw/zinc/99/40/71/1354994071.db2.gz JYTPJWKGYPEFDD-SJORKVTESA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC(C)(C)C)C1 ZINC001071868458 1354994075 /nfs/dbraw/zinc/99/40/75/1354994075.db2.gz JYTPJWKGYPEFDD-SJORKVTESA-N 2 1 348.535 3.412 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@H+]1CCC1CC1 ZINC001071896684 1355012178 /nfs/dbraw/zinc/01/21/78/1355012178.db2.gz HNEMORQBXMYBFJ-OXJNMPFZSA-N 2 1 343.515 3.131 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[N@@H+]1CCC(C)(C)C ZINC001071998373 1355066560 /nfs/dbraw/zinc/06/65/60/1355066560.db2.gz JEBCVRHFXMOFRS-HOTGVXAUSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[N@H+]1CCC(C)(C)C ZINC001071998373 1355066561 /nfs/dbraw/zinc/06/65/61/1355066561.db2.gz JEBCVRHFXMOFRS-HOTGVXAUSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@H+]1CCC1CC1 ZINC001072099494 1355129255 /nfs/dbraw/zinc/12/92/55/1355129255.db2.gz RMYQYLDCHORYHY-VQIMIIECSA-N 2 1 343.515 3.131 20 0 EGADMP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001183221620 1387281633 /nfs/dbraw/zinc/28/16/33/1387281633.db2.gz TZZZOOAGQCDCND-NREOILKTSA-N 2 1 337.552 3.149 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC001074062982 1356061430 /nfs/dbraw/zinc/06/14/30/1356061430.db2.gz CICRFFVKRAZQDN-AZUAARDMSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC001074062982 1356061433 /nfs/dbraw/zinc/06/14/33/1356061433.db2.gz CICRFFVKRAZQDN-AZUAARDMSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC001074062982 1356061434 /nfs/dbraw/zinc/06/14/34/1356061434.db2.gz CICRFFVKRAZQDN-AZUAARDMSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001074695333 1356224445 /nfs/dbraw/zinc/22/44/45/1356224445.db2.gz XGVHLWOACDGCHC-SXLOBPIMSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)[C@@H]1C ZINC001074686012 1356224632 /nfs/dbraw/zinc/22/46/32/1356224632.db2.gz HCFNUAGJWHLXTQ-IHPCNDPISA-N 2 1 349.563 3.409 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CCC(C)(C)C)C[C@H]32)C1 ZINC001076161939 1356509981 /nfs/dbraw/zinc/50/99/81/1356509981.db2.gz WLOHGVAMKSUXPM-GBESFXJTSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@H+](CCC(C)(C)C)C[C@H]32)C1 ZINC001076161939 1356509985 /nfs/dbraw/zinc/50/99/85/1356509985.db2.gz WLOHGVAMKSUXPM-GBESFXJTSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCC(C)(C)C)C[C@H]32)C1 ZINC001076161939 1356509988 /nfs/dbraw/zinc/50/99/88/1356509988.db2.gz WLOHGVAMKSUXPM-GBESFXJTSA-N 2 1 349.563 3.077 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001183256436 1387286430 /nfs/dbraw/zinc/28/64/30/1387286430.db2.gz WSLIIIDJKIVMLJ-BBCKOWNQSA-N 2 1 347.547 3.330 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001183256060 1387286458 /nfs/dbraw/zinc/28/64/58/1387286458.db2.gz QIWMXNHVVJEXCC-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCCC(C)C ZINC001099297423 1363737080 /nfs/dbraw/zinc/73/70/80/1363737080.db2.gz GIUNBOJTJNMVKD-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCC(C)C ZINC001099297423 1363737083 /nfs/dbraw/zinc/73/70/83/1363737083.db2.gz GIUNBOJTJNMVKD-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCC(C)C ZINC001099297423 1363737085 /nfs/dbraw/zinc/73/70/85/1363737085.db2.gz GIUNBOJTJNMVKD-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1Cc1ccccc1 ZINC001099316158 1363745322 /nfs/dbraw/zinc/74/53/22/1363745322.db2.gz NNCRYYLRZDAUHE-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccccc1 ZINC001099316158 1363745326 /nfs/dbraw/zinc/74/53/26/1363745326.db2.gz NNCRYYLRZDAUHE-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccccc1 ZINC001099316158 1363745329 /nfs/dbraw/zinc/74/53/29/1363745329.db2.gz NNCRYYLRZDAUHE-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001183398783 1387306738 /nfs/dbraw/zinc/30/67/38/1387306738.db2.gz HIFPUOBLSKHHKS-CNZSNBMASA-N 2 1 346.519 3.012 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001082520412 1358053384 /nfs/dbraw/zinc/05/33/84/1358053384.db2.gz VFCKJXQRDNRBLF-HNBVOPMISA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001082612608 1358066063 /nfs/dbraw/zinc/06/60/63/1358066063.db2.gz WOIVNXAFHKMXOW-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001084940163 1358351960 /nfs/dbraw/zinc/35/19/60/1358351960.db2.gz IPXUEVPKNPENJI-OTWHNJEPSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084963258 1358355343 /nfs/dbraw/zinc/35/53/43/1358355343.db2.gz IGXXLAZRZPDGFT-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084963258 1358355345 /nfs/dbraw/zinc/35/53/45/1358355345.db2.gz IGXXLAZRZPDGFT-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084963258 1358355347 /nfs/dbraw/zinc/35/53/47/1358355347.db2.gz IGXXLAZRZPDGFT-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC001085217458 1358436649 /nfs/dbraw/zinc/43/66/49/1358436649.db2.gz BUAHQUBXOPKBJC-KZNAEPCWSA-N 2 1 349.544 3.140 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1 ZINC001085225219 1358438019 /nfs/dbraw/zinc/43/80/19/1358438019.db2.gz NHUCBIJOQIMVEP-GUDVDZBRSA-N 2 1 335.536 3.066 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001085245425 1358443295 /nfs/dbraw/zinc/44/32/95/1358443295.db2.gz XIOJEESGCJMWOP-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCCC1)[NH+](C)C ZINC001323339779 1387344031 /nfs/dbraw/zinc/34/40/31/1387344031.db2.gz JHYSTWBNALYJTK-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCC2CCCC2)C1 ZINC001085639489 1358652722 /nfs/dbraw/zinc/65/27/22/1358652722.db2.gz PRVKDBBJHCMSRM-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCC2CCCC2)C1 ZINC001085639489 1358652726 /nfs/dbraw/zinc/65/27/26/1358652726.db2.gz PRVKDBBJHCMSRM-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCC2CCCC2)C1 ZINC001085639489 1358652732 /nfs/dbraw/zinc/65/27/32/1358652732.db2.gz PRVKDBBJHCMSRM-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CC1CCCC1)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085639385 1358652859 /nfs/dbraw/zinc/65/28/59/1358652859.db2.gz NRTBXGZBMAKAHM-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639385 1358652863 /nfs/dbraw/zinc/65/28/63/1358652863.db2.gz NRTBXGZBMAKAHM-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085639385 1358652867 /nfs/dbraw/zinc/65/28/67/1358652867.db2.gz NRTBXGZBMAKAHM-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCC1CCCCCC1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085675420 1358679861 /nfs/dbraw/zinc/67/98/61/1358679861.db2.gz RZPNCGJRLVTHCG-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CCC1CCCCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085675420 1358679873 /nfs/dbraw/zinc/67/98/73/1358679873.db2.gz RZPNCGJRLVTHCG-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CCC1CCCCCC1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001085675420 1358679877 /nfs/dbraw/zinc/67/98/77/1358679877.db2.gz RZPNCGJRLVTHCG-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)NC[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001323356552 1387349936 /nfs/dbraw/zinc/34/99/36/1387349936.db2.gz KDSUKFHNMUMLSV-HXUWFJFHSA-N 2 1 349.563 3.413 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001085687317 1358687571 /nfs/dbraw/zinc/68/75/71/1358687571.db2.gz MSGFTVOYFMIUOP-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001085687317 1358687573 /nfs/dbraw/zinc/68/75/73/1358687573.db2.gz MSGFTVOYFMIUOP-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085687317 1358687575 /nfs/dbraw/zinc/68/75/75/1358687575.db2.gz MSGFTVOYFMIUOP-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085782250 1358757166 /nfs/dbraw/zinc/75/71/66/1358757166.db2.gz PXKIOPPZIPGZRB-RBUKOAKNSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782250 1358757169 /nfs/dbraw/zinc/75/71/69/1358757169.db2.gz PXKIOPPZIPGZRB-RBUKOAKNSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782250 1358757172 /nfs/dbraw/zinc/75/71/72/1358757172.db2.gz PXKIOPPZIPGZRB-RBUKOAKNSA-N 2 1 335.536 3.116 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCCC2CCC2)CC1 ZINC001085901969 1358859550 /nfs/dbraw/zinc/85/95/50/1358859550.db2.gz RGOGNCUMBUDANU-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986429 1358939290 /nfs/dbraw/zinc/93/92/90/1358939290.db2.gz DKSZCZCIKIECKX-IBGZPJMESA-N 2 1 345.531 3.331 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086216822 1359030634 /nfs/dbraw/zinc/03/06/34/1359030634.db2.gz AVBVZCKNAKJQFR-HSALFYBXSA-N 2 1 347.547 3.234 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001086386930 1359084625 /nfs/dbraw/zinc/08/46/25/1359084625.db2.gz LSRJNHBMKDEUSA-UFYCRDLUSA-N 2 1 349.563 3.029 20 0 EGADMP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001086399730 1359087258 /nfs/dbraw/zinc/08/72/58/1359087258.db2.gz KMEFKFOFDRQYFF-MUGJNUQGSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086414796 1359090896 /nfs/dbraw/zinc/09/08/96/1359090896.db2.gz JPWCVZWCSMDZIG-WDSOQIARSA-N 2 1 349.563 3.027 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086558890 1359145329 /nfs/dbraw/zinc/14/53/29/1359145329.db2.gz ZETLGXRALUUQSF-UFYCRDLUSA-N 2 1 347.547 3.236 20 0 EGADMP O=C(NC[C@H]1CC[C@@H]([NH2+]CC2CC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001086784668 1359201099 /nfs/dbraw/zinc/20/10/99/1359201099.db2.gz JMHQCQCLJXLZPV-NLWGTHIKSA-N 2 1 347.547 3.068 20 0 EGADMP C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001087246436 1359330098 /nfs/dbraw/zinc/33/00/98/1359330098.db2.gz PMKQOEWCGGZPQM-HOJAQTOUSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC1([NH2+]CC2CCCCCC2)CC1 ZINC001323571556 1387392867 /nfs/dbraw/zinc/39/28/67/1387392867.db2.gz OMSKBEDONJKXQS-UHFFFAOYSA-N 2 1 346.519 3.181 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@H+]1CCC1CCCC1 ZINC001087569970 1359535480 /nfs/dbraw/zinc/53/54/80/1359535480.db2.gz VALARAXRTIILAI-XUVXKRRUSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CCC1CCCC1 ZINC001087569970 1359535483 /nfs/dbraw/zinc/53/54/83/1359535483.db2.gz VALARAXRTIILAI-XUVXKRRUSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC[NH+]1CCC1CCCC1 ZINC001087569970 1359535484 /nfs/dbraw/zinc/53/54/84/1359535484.db2.gz VALARAXRTIILAI-XUVXKRRUSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CC1CCC1 ZINC001087572163 1359537338 /nfs/dbraw/zinc/53/73/38/1359537338.db2.gz DUKLJSYBPPXUIV-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC[NH+]1CCC1CCCC1 ZINC001087578907 1359539515 /nfs/dbraw/zinc/53/95/15/1359539515.db2.gz WQAIJSXSPRRHCO-VNTMZGSJSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCC3CCCC3)[C@@H]2CC)CC[NH+]1C ZINC001087578907 1359539521 /nfs/dbraw/zinc/53/95/21/1359539521.db2.gz WQAIJSXSPRRHCO-VNTMZGSJSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC3CCCC3)[C@@H]2CC)CC[NH+]1C ZINC001087578907 1359539522 /nfs/dbraw/zinc/53/95/22/1359539522.db2.gz WQAIJSXSPRRHCO-VNTMZGSJSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1CC1CCCC1 ZINC001087621516 1359558949 /nfs/dbraw/zinc/55/89/49/1359558949.db2.gz YCYAHYLODGWTSU-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1Cc1ccsc1 ZINC001087684676 1359588455 /nfs/dbraw/zinc/58/84/55/1359588455.db2.gz HYYGBXUGPXEXBK-DLBZAZTESA-N 2 1 349.544 3.092 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CC1=CCCCC1 ZINC001087773384 1359637494 /nfs/dbraw/zinc/63/74/94/1359637494.db2.gz KWNNPORPMCILJL-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CC3CCC3)C2)C1 ZINC001088367372 1359851854 /nfs/dbraw/zinc/85/18/54/1359851854.db2.gz IJYQKAGWQPIUJB-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CC3CCCC3)C2)CC[N@H+]1C ZINC001088369728 1359853012 /nfs/dbraw/zinc/85/30/12/1359853012.db2.gz QPMRCDHPECVPEP-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1)c1ccccc1 ZINC001088431012 1359898597 /nfs/dbraw/zinc/89/85/97/1359898597.db2.gz DWRATJKIXPEEFR-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)[C@@H]1C ZINC001088563214 1359974195 /nfs/dbraw/zinc/97/41/95/1359974195.db2.gz IGLOPQUAUIMTSK-HOJAQTOUSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)[C@@H]1C ZINC001088563214 1359974200 /nfs/dbraw/zinc/97/42/00/1359974200.db2.gz IGLOPQUAUIMTSK-HOJAQTOUSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)[C@@H]1C ZINC001088563214 1359974204 /nfs/dbraw/zinc/97/42/04/1359974204.db2.gz IGLOPQUAUIMTSK-HOJAQTOUSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088621421 1359993241 /nfs/dbraw/zinc/99/32/41/1359993241.db2.gz DAOKSPCXKSKDOQ-NEWSRXKRSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088621421 1359993244 /nfs/dbraw/zinc/99/32/44/1359993244.db2.gz DAOKSPCXKSKDOQ-NEWSRXKRSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088621421 1359993249 /nfs/dbraw/zinc/99/32/49/1359993249.db2.gz DAOKSPCXKSKDOQ-NEWSRXKRSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](Cc2ccsc2)[C@@H]1C ZINC001088621785 1359993445 /nfs/dbraw/zinc/99/34/45/1359993445.db2.gz TVWDXOXWPSUYRV-NJAFHUGGSA-N 2 1 349.544 3.090 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](Cc2ccsc2)[C@@H]1C ZINC001088621785 1359993450 /nfs/dbraw/zinc/99/34/50/1359993450.db2.gz TVWDXOXWPSUYRV-NJAFHUGGSA-N 2 1 349.544 3.090 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)[C@@H]1C ZINC001088621785 1359993456 /nfs/dbraw/zinc/99/34/56/1359993456.db2.gz TVWDXOXWPSUYRV-NJAFHUGGSA-N 2 1 349.544 3.090 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621430 1359993553 /nfs/dbraw/zinc/99/35/53/1359993553.db2.gz DGAFGNZGBZGFGX-QRQLOZEOSA-N 2 1 337.552 3.265 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088621430 1359993556 /nfs/dbraw/zinc/99/35/56/1359993556.db2.gz DGAFGNZGBZGFGX-QRQLOZEOSA-N 2 1 337.552 3.265 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088621430 1359993558 /nfs/dbraw/zinc/99/35/58/1359993558.db2.gz DGAFGNZGBZGFGX-QRQLOZEOSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088769840 1360036688 /nfs/dbraw/zinc/03/66/88/1360036688.db2.gz IIHVOTHBBAQVLC-XLIONFOSSA-N 2 1 345.531 3.029 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CCCC1CCCC1 ZINC001088791974 1360046692 /nfs/dbraw/zinc/04/66/92/1360046692.db2.gz NCMMUWUSDWELQD-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812290 1360059985 /nfs/dbraw/zinc/05/99/85/1360059985.db2.gz WURXYDDLNGXZTH-NEWSRXKRSA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088812290 1360059987 /nfs/dbraw/zinc/05/99/87/1360059987.db2.gz WURXYDDLNGXZTH-NEWSRXKRSA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088812290 1360059991 /nfs/dbraw/zinc/05/99/91/1360059991.db2.gz WURXYDDLNGXZTH-NEWSRXKRSA-N 2 1 335.536 3.163 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897427 1360097361 /nfs/dbraw/zinc/09/73/61/1360097361.db2.gz JDGHWKHDXLMOTI-GGPKGHCWSA-N 2 1 347.547 3.330 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089384487 1360385968 /nfs/dbraw/zinc/38/59/68/1360385968.db2.gz DOECVOKUOHWOGJ-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1)[NH+]1CCCC1 ZINC001089458785 1360445293 /nfs/dbraw/zinc/44/52/93/1360445293.db2.gz OIWBHCKNSHZSKC-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492538 1360470345 /nfs/dbraw/zinc/47/03/45/1360470345.db2.gz KDVUBJKGYPRPHA-ROUUACIJSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492538 1360470347 /nfs/dbraw/zinc/47/03/47/1360470347.db2.gz KDVUBJKGYPRPHA-ROUUACIJSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492538 1360470349 /nfs/dbraw/zinc/47/03/49/1360470349.db2.gz KDVUBJKGYPRPHA-ROUUACIJSA-N 2 1 335.536 3.044 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC=C(C)C)CC(C)(C)C1 ZINC001089564505 1360510600 /nfs/dbraw/zinc/51/06/00/1360510600.db2.gz ARKMNEZYTOKJHI-MOPGFXCFSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC=C(C)C)CC(C)(C)C1 ZINC001089564505 1360510601 /nfs/dbraw/zinc/51/06/01/1360510601.db2.gz ARKMNEZYTOKJHI-MOPGFXCFSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC=C(C)C)CC(C)(C)C1 ZINC001089564505 1360510603 /nfs/dbraw/zinc/51/06/03/1360510603.db2.gz ARKMNEZYTOKJHI-MOPGFXCFSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664148 1360574206 /nfs/dbraw/zinc/57/42/06/1360574206.db2.gz CROHKXSTOQNCOB-SFHVURJKSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001089685627 1360591058 /nfs/dbraw/zinc/59/10/58/1360591058.db2.gz FPWFUGZKZUVUBF-FHWLQOOXSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089685627 1360591063 /nfs/dbraw/zinc/59/10/63/1360591063.db2.gz FPWFUGZKZUVUBF-FHWLQOOXSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089685627 1360591064 /nfs/dbraw/zinc/59/10/64/1360591064.db2.gz FPWFUGZKZUVUBF-FHWLQOOXSA-N 2 1 349.563 3.290 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089686546 1360593135 /nfs/dbraw/zinc/59/31/35/1360593135.db2.gz VGLWYURSRXPCNI-BZSNNMDCSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001089686546 1360593136 /nfs/dbraw/zinc/59/31/36/1360593136.db2.gz VGLWYURSRXPCNI-BZSNNMDCSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001089686546 1360593141 /nfs/dbraw/zinc/59/31/41/1360593141.db2.gz VGLWYURSRXPCNI-BZSNNMDCSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CCC2CCCC2)C1 ZINC001089732196 1360636017 /nfs/dbraw/zinc/63/60/17/1360636017.db2.gz OTWBIBMEFYSFOS-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CCC2CCCC2)C1 ZINC001089732196 1360636019 /nfs/dbraw/zinc/63/60/19/1360636019.db2.gz OTWBIBMEFYSFOS-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CCC2CCCC2)C1 ZINC001089732196 1360636023 /nfs/dbraw/zinc/63/60/23/1360636023.db2.gz OTWBIBMEFYSFOS-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC=C(C)C ZINC001089734182 1360638592 /nfs/dbraw/zinc/63/85/92/1360638592.db2.gz LDPZLVMTZTZSEJ-OALUTQOASA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC=C(C)C ZINC001089734182 1360638594 /nfs/dbraw/zinc/63/85/94/1360638594.db2.gz LDPZLVMTZTZSEJ-OALUTQOASA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC=C(C)C ZINC001089734182 1360638595 /nfs/dbraw/zinc/63/85/95/1360638595.db2.gz LDPZLVMTZTZSEJ-OALUTQOASA-N 2 1 349.563 3.434 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089734457 1360639064 /nfs/dbraw/zinc/63/90/64/1360639064.db2.gz QTFLEPNGFAHSFN-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001089734457 1360639066 /nfs/dbraw/zinc/63/90/66/1360639066.db2.gz QTFLEPNGFAHSFN-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001089734457 1360639068 /nfs/dbraw/zinc/63/90/68/1360639068.db2.gz QTFLEPNGFAHSFN-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001091112245 1360993839 /nfs/dbraw/zinc/99/38/39/1360993839.db2.gz MTJYDSYTNJAZIR-SOAGJPPSSA-N 2 1 349.563 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001091378920 1361068835 /nfs/dbraw/zinc/06/88/35/1361068835.db2.gz ZETLGXRALUUQSF-MHJFOBGBSA-N 2 1 347.547 3.236 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C[NH2+]CCC1CCCC1 ZINC001184577036 1387496821 /nfs/dbraw/zinc/49/68/21/1387496821.db2.gz KGOBQRIZYXYXLS-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804891 1361224787 /nfs/dbraw/zinc/22/47/87/1361224787.db2.gz UHBFYAVMNBPIGD-UTKZUKDTSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804891 1361224788 /nfs/dbraw/zinc/22/47/88/1361224788.db2.gz UHBFYAVMNBPIGD-UTKZUKDTSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804891 1361224791 /nfs/dbraw/zinc/22/47/91/1361224791.db2.gz UHBFYAVMNBPIGD-UTKZUKDTSA-N 2 1 349.563 3.220 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001184609631 1387499964 /nfs/dbraw/zinc/49/99/64/1387499964.db2.gz REWJUMGJVDKGFI-SHCNBLLESA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001092302108 1361358932 /nfs/dbraw/zinc/35/89/32/1361358932.db2.gz UAKQBIVKZLQJBP-OPYAIIAOSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001092302108 1361358936 /nfs/dbraw/zinc/35/89/36/1361358936.db2.gz UAKQBIVKZLQJBP-OPYAIIAOSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001092302108 1361358939 /nfs/dbraw/zinc/35/89/39/1361358939.db2.gz UAKQBIVKZLQJBP-OPYAIIAOSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001093025161 1361510611 /nfs/dbraw/zinc/51/06/11/1361510611.db2.gz TTZQKMCHENDROW-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001093025161 1361510613 /nfs/dbraw/zinc/51/06/13/1361510613.db2.gz TTZQKMCHENDROW-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001093025161 1361510620 /nfs/dbraw/zinc/51/06/20/1361510620.db2.gz TTZQKMCHENDROW-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001093767818 1361693996 /nfs/dbraw/zinc/69/39/96/1361693996.db2.gz DTJQHSBIERNJGA-RLLQIKCJSA-N 2 1 347.547 3.044 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413376 1361790663 /nfs/dbraw/zinc/79/06/63/1361790663.db2.gz CRFGMNVORAAHHZ-QWFCFKBJSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094413376 1361790666 /nfs/dbraw/zinc/79/06/66/1361790666.db2.gz CRFGMNVORAAHHZ-QWFCFKBJSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094413376 1361790669 /nfs/dbraw/zinc/79/06/69/1361790669.db2.gz CRFGMNVORAAHHZ-QWFCFKBJSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC001094461361 1361810942 /nfs/dbraw/zinc/81/09/42/1361810942.db2.gz VPYFJWULZNJMJD-UYAOXDASSA-N 2 1 340.471 3.109 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC001094552032 1361855698 /nfs/dbraw/zinc/85/56/98/1361855698.db2.gz WUPRUFLCYCSIHO-TZIWHRDSSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001184891399 1387555750 /nfs/dbraw/zinc/55/57/50/1387555750.db2.gz FVUBPQXADHGKFN-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001095404805 1362129715 /nfs/dbraw/zinc/12/97/15/1362129715.db2.gz APKFZAWZOKDPDY-FUMNGEBKSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001095404805 1362129718 /nfs/dbraw/zinc/12/97/18/1362129718.db2.gz APKFZAWZOKDPDY-FUMNGEBKSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001095404805 1362129720 /nfs/dbraw/zinc/12/97/20/1362129720.db2.gz APKFZAWZOKDPDY-FUMNGEBKSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001095405663 1362130259 /nfs/dbraw/zinc/13/02/59/1362130259.db2.gz ZJOWZESELGWZBY-XWSJACJDSA-N 2 1 347.547 3.017 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1 ZINC001095405663 1362130261 /nfs/dbraw/zinc/13/02/61/1362130261.db2.gz ZJOWZESELGWZBY-XWSJACJDSA-N 2 1 347.547 3.017 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1 ZINC001095405663 1362130263 /nfs/dbraw/zinc/13/02/63/1362130263.db2.gz ZJOWZESELGWZBY-XWSJACJDSA-N 2 1 347.547 3.017 20 0 EGADMP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001095487846 1362155972 /nfs/dbraw/zinc/15/59/72/1362155972.db2.gz MTZVFVFCQJJYNU-IKGGRYGDSA-N 2 1 349.544 3.191 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001095487846 1362155973 /nfs/dbraw/zinc/15/59/73/1362155973.db2.gz MTZVFVFCQJJYNU-IKGGRYGDSA-N 2 1 349.544 3.191 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095533710 1362163751 /nfs/dbraw/zinc/16/37/51/1362163751.db2.gz KMPRMUHLEYIUJR-FYQPLNBISA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001095533710 1362163753 /nfs/dbraw/zinc/16/37/53/1362163753.db2.gz KMPRMUHLEYIUJR-FYQPLNBISA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001095533710 1362163756 /nfs/dbraw/zinc/16/37/56/1362163756.db2.gz KMPRMUHLEYIUJR-FYQPLNBISA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812811 1362242430 /nfs/dbraw/zinc/24/24/30/1362242430.db2.gz RDVGNQQDAYWFCJ-XWSJACJDSA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCC2)CC1 ZINC001096105294 1362385196 /nfs/dbraw/zinc/38/51/96/1362385196.db2.gz XXHFBUIEYMWKJW-AABGKKOBSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001098037439 1363203926 /nfs/dbraw/zinc/20/39/26/1363203926.db2.gz MAZZYCJMCGGCOY-AQNXPRMDSA-N 2 1 343.515 3.129 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001185120285 1387622821 /nfs/dbraw/zinc/62/28/21/1387622821.db2.gz QCEHFAVILPQWDW-PEPAHJGKSA-N 2 1 347.547 3.330 20 0 EGADMP CCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001185120299 1387623011 /nfs/dbraw/zinc/62/30/11/1387623011.db2.gz QFDNTWXXNIGOMW-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001098846626 1363489887 /nfs/dbraw/zinc/48/98/87/1363489887.db2.gz OKYZVIGPVHEDNF-HUUJSLGLSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001098846626 1363489890 /nfs/dbraw/zinc/48/98/90/1363489890.db2.gz OKYZVIGPVHEDNF-HUUJSLGLSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001098846626 1363489891 /nfs/dbraw/zinc/48/98/91/1363489891.db2.gz OKYZVIGPVHEDNF-HUUJSLGLSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115768 1363631936 /nfs/dbraw/zinc/63/19/36/1363631936.db2.gz JRFHHWURWGJTMB-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001099115768 1363631941 /nfs/dbraw/zinc/63/19/41/1363631941.db2.gz JRFHHWURWGJTMB-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001099115768 1363631943 /nfs/dbraw/zinc/63/19/43/1363631943.db2.gz JRFHHWURWGJTMB-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001099116804 1363632699 /nfs/dbraw/zinc/63/26/99/1363632699.db2.gz WGDQOROCTAHZLW-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001099116804 1363632703 /nfs/dbraw/zinc/63/27/03/1363632703.db2.gz WGDQOROCTAHZLW-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001099116804 1363632707 /nfs/dbraw/zinc/63/27/07/1363632707.db2.gz WGDQOROCTAHZLW-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099139578 1363649036 /nfs/dbraw/zinc/64/90/36/1363649036.db2.gz CAAOEEAPIKJQDB-MJRGOJFPSA-N 2 1 346.519 3.155 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099139578 1363649038 /nfs/dbraw/zinc/64/90/38/1363649038.db2.gz CAAOEEAPIKJQDB-MJRGOJFPSA-N 2 1 346.519 3.155 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@H+](CCC1CCCCC1)C2 ZINC001099162534 1363664455 /nfs/dbraw/zinc/66/44/55/1363664455.db2.gz LLHBKJQCPHYHNG-FPOVZHCZSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@@H+](CCC1CCCCC1)C2 ZINC001099162534 1363664458 /nfs/dbraw/zinc/66/44/58/1363664458.db2.gz LLHBKJQCPHYHNG-FPOVZHCZSA-N 2 1 347.547 3.023 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCC(C)(C)C ZINC001099214238 1363694921 /nfs/dbraw/zinc/69/49/21/1363694921.db2.gz ISNBBOUUYRTOQC-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CCC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099215259 1363696130 /nfs/dbraw/zinc/69/61/30/1363696130.db2.gz RBGBIHVZCJSWRR-GIFJBRJJSA-N 2 1 337.552 3.291 20 0 EGADMP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099259075 1363720432 /nfs/dbraw/zinc/72/04/32/1363720432.db2.gz WQXCRYGGNXHHOL-KRWDZBQOSA-N 2 1 348.535 3.413 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099259075 1363720436 /nfs/dbraw/zinc/72/04/36/1363720436.db2.gz WQXCRYGGNXHHOL-KRWDZBQOSA-N 2 1 348.535 3.413 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCCCCF ZINC001099299019 1363738101 /nfs/dbraw/zinc/73/81/01/1363738101.db2.gz QQGDOOZNEBEDJY-KRWDZBQOSA-N 2 1 343.531 3.075 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCCCF ZINC001099299019 1363738104 /nfs/dbraw/zinc/73/81/04/1363738104.db2.gz QQGDOOZNEBEDJY-KRWDZBQOSA-N 2 1 343.531 3.075 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCCCF ZINC001099299019 1363738106 /nfs/dbraw/zinc/73/81/06/1363738106.db2.gz QQGDOOZNEBEDJY-KRWDZBQOSA-N 2 1 343.531 3.075 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001099310402 1363743092 /nfs/dbraw/zinc/74/30/92/1363743092.db2.gz LCGQCCCLZSDXIF-QWNKOJSDSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354063 1363768440 /nfs/dbraw/zinc/76/84/40/1363768440.db2.gz LWZHVHIFIMBXAB-SFHVURJKSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001099354063 1363768443 /nfs/dbraw/zinc/76/84/43/1363768443.db2.gz LWZHVHIFIMBXAB-SFHVURJKSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001099354063 1363768448 /nfs/dbraw/zinc/76/84/48/1363768448.db2.gz LWZHVHIFIMBXAB-SFHVURJKSA-N 2 1 339.568 3.370 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099543530 1363840462 /nfs/dbraw/zinc/84/04/62/1363840462.db2.gz HIBQNINDLZDODU-NMLBUPMWSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099543530 1363840465 /nfs/dbraw/zinc/84/04/65/1363840465.db2.gz HIBQNINDLZDODU-NMLBUPMWSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CC ZINC001099543530 1363840467 /nfs/dbraw/zinc/84/04/67/1363840467.db2.gz HIBQNINDLZDODU-NMLBUPMWSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001100418616 1364108189 /nfs/dbraw/zinc/10/81/89/1364108189.db2.gz CAMCQXKLKYOMOC-SOAGJPPSSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+][C@H](C)c2ccccc2C)C1 ZINC001100460020 1364122134 /nfs/dbraw/zinc/12/21/34/1364122134.db2.gz LLBIJLFXRXWVOZ-WWDZGPRUSA-N 2 1 345.531 3.271 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCC2CCC2)C1 ZINC001100471130 1364126805 /nfs/dbraw/zinc/12/68/05/1364126805.db2.gz QBZUKGXEYNNLRQ-MHJFOBGBSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001100898726 1364320455 /nfs/dbraw/zinc/32/04/55/1364320455.db2.gz ZJUCCSBDTXQHLL-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001100901822 1364322832 /nfs/dbraw/zinc/32/28/32/1364322832.db2.gz PXDUZMKTHADUJU-UHFFFAOYSA-N 2 1 345.531 3.136 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001101039455 1364385568 /nfs/dbraw/zinc/38/55/68/1364385568.db2.gz MGEASJJJCRHQGL-UHFFFAOYSA-N 2 1 337.552 3.027 20 0 EGADMP CCCCC[N@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101984684 1364800037 /nfs/dbraw/zinc/80/00/37/1364800037.db2.gz GVHGNMUJYTVWKI-KZNAEPCWSA-N 2 1 348.535 3.271 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101984684 1364800041 /nfs/dbraw/zinc/80/00/41/1364800041.db2.gz GVHGNMUJYTVWKI-KZNAEPCWSA-N 2 1 348.535 3.271 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102060592 1364828730 /nfs/dbraw/zinc/82/87/30/1364828730.db2.gz HRFOYFNHZNXPOX-JCHUFIKGSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001102060592 1364828733 /nfs/dbraw/zinc/82/87/33/1364828733.db2.gz HRFOYFNHZNXPOX-JCHUFIKGSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001102060592 1364828734 /nfs/dbraw/zinc/82/87/34/1364828734.db2.gz HRFOYFNHZNXPOX-JCHUFIKGSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001102078947 1364841254 /nfs/dbraw/zinc/84/12/54/1364841254.db2.gz QDKDUPDJDVBPDU-RTBURBONSA-N 2 1 349.563 3.127 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102104080 1364858699 /nfs/dbraw/zinc/85/86/99/1364858699.db2.gz FDYBXGUWYMVGJB-NDZBKKTDSA-N 2 1 337.552 3.147 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)[C@H](C)C1 ZINC001102104080 1364858702 /nfs/dbraw/zinc/85/87/02/1364858702.db2.gz FDYBXGUWYMVGJB-NDZBKKTDSA-N 2 1 337.552 3.147 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)[C@H](C)C1 ZINC001102104080 1364858705 /nfs/dbraw/zinc/85/87/05/1364858705.db2.gz FDYBXGUWYMVGJB-NDZBKKTDSA-N 2 1 337.552 3.147 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)c1 ZINC001102320933 1365000067 /nfs/dbraw/zinc/00/00/67/1365000067.db2.gz ZXBACEQEJGHTMW-CEXWTWQISA-N 2 1 345.531 3.000 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375635 1365029595 /nfs/dbraw/zinc/02/95/95/1365029595.db2.gz UTVVHRITIPFUAB-QZTJIDSGSA-N 2 1 339.568 3.085 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375635 1365029599 /nfs/dbraw/zinc/02/95/99/1365029599.db2.gz UTVVHRITIPFUAB-QZTJIDSGSA-N 2 1 339.568 3.085 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375635 1365029602 /nfs/dbraw/zinc/02/96/02/1365029602.db2.gz UTVVHRITIPFUAB-QZTJIDSGSA-N 2 1 339.568 3.085 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419546 1365046373 /nfs/dbraw/zinc/04/63/73/1365046373.db2.gz KGXJERRAJNIHCL-QZTJIDSGSA-N 2 1 348.535 3.127 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419546 1365046377 /nfs/dbraw/zinc/04/63/77/1365046377.db2.gz KGXJERRAJNIHCL-QZTJIDSGSA-N 2 1 348.535 3.127 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103113260 1365388892 /nfs/dbraw/zinc/38/88/92/1365388892.db2.gz CNKARBMTYIUJOO-QRVBRYPASA-N 2 1 339.568 3.227 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001185550530 1387745998 /nfs/dbraw/zinc/74/59/98/1387745998.db2.gz UGAOCVPDKPVWNU-MSOLQXFVSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1 ZINC001185550162 1387745619 /nfs/dbraw/zinc/74/56/19/1387745619.db2.gz STLQUCDBMPTMSS-MSOLQXFVSA-N 2 1 339.568 3.229 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NCC[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C ZINC001103434946 1365557939 /nfs/dbraw/zinc/55/79/39/1365557939.db2.gz GEORBOGHEOGMEF-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001103434946 1365557942 /nfs/dbraw/zinc/55/79/42/1365557942.db2.gz GEORBOGHEOGMEF-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001103434946 1365557943 /nfs/dbraw/zinc/55/79/43/1365557943.db2.gz GEORBOGHEOGMEF-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001103435211 1365558074 /nfs/dbraw/zinc/55/80/74/1365558074.db2.gz VVRPVLQJYHDIMG-CEXWTWQISA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001103435211 1365558075 /nfs/dbraw/zinc/55/80/75/1365558075.db2.gz VVRPVLQJYHDIMG-CEXWTWQISA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001103435211 1365558077 /nfs/dbraw/zinc/55/80/77/1365558077.db2.gz VVRPVLQJYHDIMG-CEXWTWQISA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722586 1365748966 /nfs/dbraw/zinc/74/89/66/1365748966.db2.gz UWNYHUFOEVTPIX-UYAOXDASSA-N 2 1 349.563 3.127 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001185681432 1387776086 /nfs/dbraw/zinc/77/60/86/1387776086.db2.gz KKUKHTZFGMCPHB-AEFFLSMTSA-N 2 1 348.535 3.092 20 0 EGADMP CCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001104264740 1365971917 /nfs/dbraw/zinc/97/19/17/1365971917.db2.gz CDFPDLTXCIFWKF-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]CC1=CCCCC1 ZINC001104353833 1365982957 /nfs/dbraw/zinc/98/29/57/1365982957.db2.gz JBFOTZAYELHXIF-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683567 1366130574 /nfs/dbraw/zinc/13/05/74/1366130574.db2.gz MAEBDYJKTRKHJG-LXORQPIJSA-N 2 1 349.563 3.149 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC)C1 ZINC001104895887 1366213450 /nfs/dbraw/zinc/21/34/50/1366213450.db2.gz HGESZGPGWOIICE-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC2)C1 ZINC001104896448 1366213781 /nfs/dbraw/zinc/21/37/81/1366213781.db2.gz ZBRYHFGGBJNBJO-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001105396089 1366444525 /nfs/dbraw/zinc/44/45/25/1366444525.db2.gz ICBPBQIIZCLBTJ-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001105396089 1366444526 /nfs/dbraw/zinc/44/45/26/1366444526.db2.gz ICBPBQIIZCLBTJ-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001105396089 1366444527 /nfs/dbraw/zinc/44/45/27/1366444527.db2.gz ICBPBQIIZCLBTJ-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@@H]2[NH+](C(C)C)CC23CCC3)CC1 ZINC001105396624 1366445364 /nfs/dbraw/zinc/44/53/64/1366445364.db2.gz QMURSPMNQVLLSP-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@@H]2[N@@H+](C(C)C)CC23CCC3)CC1 ZINC001105396624 1366445365 /nfs/dbraw/zinc/44/53/65/1366445365.db2.gz QMURSPMNQVLLSP-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@@H]2[N@H+](C(C)C)CC23CCC3)CC1 ZINC001105396624 1366445367 /nfs/dbraw/zinc/44/53/67/1366445367.db2.gz QMURSPMNQVLLSP-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105396713 1366445406 /nfs/dbraw/zinc/44/54/06/1366445406.db2.gz SXDIEQCBIBLKEF-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001105396809 1366446035 /nfs/dbraw/zinc/44/60/35/1366446035.db2.gz WOQRNIAMSPFKFI-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001105536964 1366516846 /nfs/dbraw/zinc/51/68/46/1366516846.db2.gz LKJGLIHWKVVVBQ-OALUTQOASA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105572604 1366539202 /nfs/dbraw/zinc/53/92/02/1366539202.db2.gz WNJRDULXVOEKDI-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105577308 1366541597 /nfs/dbraw/zinc/54/15/97/1366541597.db2.gz UFHVLPZLUHRABI-OALUTQOASA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105577683 1366541766 /nfs/dbraw/zinc/54/17/66/1366541766.db2.gz YJAZIKCHOJQRSQ-RBUKOAKNSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105578545 1366542149 /nfs/dbraw/zinc/54/21/49/1366542149.db2.gz CONKKOPZNFNKJT-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106133045 1366613591 /nfs/dbraw/zinc/61/35/91/1366613591.db2.gz DQWRLMVSVJSMLW-CEXWTWQISA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CC1)CC2 ZINC001107443049 1366964927 /nfs/dbraw/zinc/96/49/27/1366964927.db2.gz WIILOCUMYBKRIH-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2 ZINC001107443049 1366964929 /nfs/dbraw/zinc/96/49/29/1366964929.db2.gz WIILOCUMYBKRIH-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2 ZINC001107443049 1366964932 /nfs/dbraw/zinc/96/49/32/1366964932.db2.gz WIILOCUMYBKRIH-QKNQBKEWSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CC1)CC2 ZINC001107443050 1366965219 /nfs/dbraw/zinc/96/52/19/1366965219.db2.gz WIILOCUMYBKRIH-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2 ZINC001107443050 1366965222 /nfs/dbraw/zinc/96/52/22/1366965222.db2.gz WIILOCUMYBKRIH-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2 ZINC001107443050 1366965223 /nfs/dbraw/zinc/96/52/23/1366965223.db2.gz WIILOCUMYBKRIH-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107451466 1366968607 /nfs/dbraw/zinc/96/86/07/1366968607.db2.gz VMNWGXGJQBIVHI-ISDNTMMISA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109263722 1367032976 /nfs/dbraw/zinc/03/29/76/1367032976.db2.gz HGKBEZSLIUBUOL-ILENRSAMSA-N 2 1 347.547 3.327 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109263722 1367032980 /nfs/dbraw/zinc/03/29/80/1367032980.db2.gz HGKBEZSLIUBUOL-ILENRSAMSA-N 2 1 347.547 3.327 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001109263722 1367032983 /nfs/dbraw/zinc/03/29/83/1367032983.db2.gz HGKBEZSLIUBUOL-ILENRSAMSA-N 2 1 347.547 3.327 20 0 EGADMP C[N@@H+](CC(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CC1)CC2)CC(C)(C)C ZINC001107552982 1367039983 /nfs/dbraw/zinc/03/99/83/1367039983.db2.gz YKGDFHAUVBIKPV-WIYYLYMNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2)CC(C)(C)C ZINC001107552982 1367039989 /nfs/dbraw/zinc/03/99/89/1367039989.db2.gz YKGDFHAUVBIKPV-WIYYLYMNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2)CC(C)(C)C ZINC001107552982 1367039993 /nfs/dbraw/zinc/03/99/93/1367039993.db2.gz YKGDFHAUVBIKPV-WIYYLYMNSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107567377 1367048944 /nfs/dbraw/zinc/04/89/44/1367048944.db2.gz UCFRDMBVUIFMIK-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107582093 1367056215 /nfs/dbraw/zinc/05/62/15/1367056215.db2.gz WOUZXVWLCLJLRE-WSTZPKSXSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107581888 1367056307 /nfs/dbraw/zinc/05/63/07/1367056307.db2.gz PRPUAIAEBKIXEJ-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2 ZINC001107598469 1367064878 /nfs/dbraw/zinc/06/48/78/1367064878.db2.gz CTXCDPQTTUFGKM-YLJYHZDGSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)(C)C)CC2 ZINC001107598469 1367064883 /nfs/dbraw/zinc/06/48/83/1367064883.db2.gz CTXCDPQTTUFGKM-YLJYHZDGSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)(C)C)CC2 ZINC001107598469 1367064888 /nfs/dbraw/zinc/06/48/88/1367064888.db2.gz CTXCDPQTTUFGKM-YLJYHZDGSA-N 2 1 337.552 3.125 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2 ZINC001107652434 1367095617 /nfs/dbraw/zinc/09/56/17/1367095617.db2.gz UMYIGLIFEDDOGS-TZIWHRDSSA-N 2 1 347.547 3.023 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001109417885 1367112333 /nfs/dbraw/zinc/11/23/33/1367112333.db2.gz QKCMPDUECVQLBF-RDGPPVDQSA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1 ZINC001109417885 1367112338 /nfs/dbraw/zinc/11/23/38/1367112338.db2.gz QKCMPDUECVQLBF-RDGPPVDQSA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1 ZINC001109417885 1367112341 /nfs/dbraw/zinc/11/23/41/1367112341.db2.gz QKCMPDUECVQLBF-RDGPPVDQSA-N 2 1 347.547 3.019 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001109419636 1367113217 /nfs/dbraw/zinc/11/32/17/1367113217.db2.gz YDGGLVHNKIOJRP-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001109419636 1367113221 /nfs/dbraw/zinc/11/32/21/1367113221.db2.gz YDGGLVHNKIOJRP-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001109419636 1367113225 /nfs/dbraw/zinc/11/32/25/1367113225.db2.gz YDGGLVHNKIOJRP-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565148 1367202027 /nfs/dbraw/zinc/20/20/27/1367202027.db2.gz BTJACDGLNIQYOQ-QYZOEREBSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC(C)C)C1 ZINC001109635594 1367255155 /nfs/dbraw/zinc/25/51/55/1367255155.db2.gz JQJYDZIWUKOLDE-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC(C)C)C1 ZINC001109635594 1367255159 /nfs/dbraw/zinc/25/51/59/1367255159.db2.gz JQJYDZIWUKOLDE-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC(C)C)C1 ZINC001109635594 1367255164 /nfs/dbraw/zinc/25/51/64/1367255164.db2.gz JQJYDZIWUKOLDE-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480580 1367272801 /nfs/dbraw/zinc/27/28/01/1367272801.db2.gz DKOOESUSFHPYPL-FPMVPNIMSA-N 2 1 347.547 3.142 20 0 EGADMP C[N@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190654838 1367319283 /nfs/dbraw/zinc/31/92/83/1367319283.db2.gz MDJVZQPOSZUQNL-IAGOWNOFSA-N 2 1 346.519 3.120 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190654838 1367319288 /nfs/dbraw/zinc/31/92/88/1367319288.db2.gz MDJVZQPOSZUQNL-IAGOWNOFSA-N 2 1 346.519 3.120 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001190997714 1367399959 /nfs/dbraw/zinc/39/99/59/1367399959.db2.gz YAFULUHGDKWDNT-RTBURBONSA-N 2 1 345.531 3.401 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001190997714 1367399961 /nfs/dbraw/zinc/39/99/61/1367399961.db2.gz YAFULUHGDKWDNT-RTBURBONSA-N 2 1 345.531 3.401 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001190997714 1367399967 /nfs/dbraw/zinc/39/99/67/1367399967.db2.gz YAFULUHGDKWDNT-RTBURBONSA-N 2 1 345.531 3.401 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CC2CCCCCC2)C1 ZINC001191029032 1367404764 /nfs/dbraw/zinc/40/47/64/1367404764.db2.gz FPGWUSZRVKPEOY-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CCC2=CCCCC2)C1 ZINC001191029701 1367404982 /nfs/dbraw/zinc/40/49/82/1367404982.db2.gz LZZSKQWCZFHEAV-GOSISDBHSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191080538 1367419118 /nfs/dbraw/zinc/41/91/18/1367419118.db2.gz IMWFEKMKYICOBX-KGMDJONISA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191080538 1367419119 /nfs/dbraw/zinc/41/91/19/1367419119.db2.gz IMWFEKMKYICOBX-KGMDJONISA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191080538 1367419123 /nfs/dbraw/zinc/41/91/23/1367419123.db2.gz IMWFEKMKYICOBX-KGMDJONISA-N 2 1 349.563 3.386 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161836 1367535043 /nfs/dbraw/zinc/53/50/43/1367535043.db2.gz VAQTWMOHZCSMGV-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110190909 1367557554 /nfs/dbraw/zinc/55/75/54/1367557554.db2.gz XLRYDYCGSZFRLO-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001192045577 1367674380 /nfs/dbraw/zinc/67/43/80/1367674380.db2.gz GLDWKDHHUKPKLG-OALUTQOASA-N 2 1 345.531 3.239 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001192317340 1367748181 /nfs/dbraw/zinc/74/81/81/1367748181.db2.gz SBDDNUCFFWDPKO-UXHICEINSA-N 2 1 345.531 3.148 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001192317341 1367748291 /nfs/dbraw/zinc/74/82/91/1367748291.db2.gz SBDDNUCFFWDPKO-VQTJNVASSA-N 2 1 345.531 3.148 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192325620 1367752076 /nfs/dbraw/zinc/75/20/76/1367752076.db2.gz MGRCHCHWTLMSTQ-QZTJIDSGSA-N 2 1 325.541 3.076 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001192325684 1367752310 /nfs/dbraw/zinc/75/23/10/1367752310.db2.gz MPQQZSQPADFIQZ-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001110626450 1367875391 /nfs/dbraw/zinc/87/53/91/1367875391.db2.gz BGFZIEBSKOJVBL-RPCZBFAQSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001110626450 1367875399 /nfs/dbraw/zinc/87/53/99/1367875399.db2.gz BGFZIEBSKOJVBL-RPCZBFAQSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001110626450 1367875405 /nfs/dbraw/zinc/87/54/05/1367875405.db2.gz BGFZIEBSKOJVBL-RPCZBFAQSA-N 2 1 347.547 3.329 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)NCCC2CCCCC2)cc1 ZINC001192909042 1367902076 /nfs/dbraw/zinc/90/20/76/1367902076.db2.gz BRYFFVSKBRYVQM-UHFFFAOYSA-N 2 1 345.531 3.267 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)NCCC2CCCCC2)cc1 ZINC001192909042 1367902080 /nfs/dbraw/zinc/90/20/80/1367902080.db2.gz BRYFFVSKBRYVQM-UHFFFAOYSA-N 2 1 345.531 3.267 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110661593 1367903752 /nfs/dbraw/zinc/90/37/52/1367903752.db2.gz ZMAQAPRFWAKRRK-BWGAQWGUSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110661593 1367903754 /nfs/dbraw/zinc/90/37/54/1367903754.db2.gz ZMAQAPRFWAKRRK-BWGAQWGUSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001110661593 1367903758 /nfs/dbraw/zinc/90/37/58/1367903758.db2.gz ZMAQAPRFWAKRRK-BWGAQWGUSA-N 2 1 347.547 3.327 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1)C(C)C ZINC001192918190 1367904694 /nfs/dbraw/zinc/90/46/94/1367904694.db2.gz YGFKSCRZVCQILG-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C)C1CCC1 ZINC001110673604 1367913729 /nfs/dbraw/zinc/91/37/29/1367913729.db2.gz JCMLCHNEHZEZKW-KURKYZTESA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C)C1CCC1 ZINC001110673604 1367913732 /nfs/dbraw/zinc/91/37/32/1367913732.db2.gz JCMLCHNEHZEZKW-KURKYZTESA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C)C1CCC1 ZINC001110673604 1367913733 /nfs/dbraw/zinc/91/37/33/1367913733.db2.gz JCMLCHNEHZEZKW-KURKYZTESA-N 2 1 335.536 3.019 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2ccc(C(C)C)cc2)C1 ZINC001193291267 1367990517 /nfs/dbraw/zinc/99/05/17/1367990517.db2.gz HBQKUVHSRQZRPQ-FQEVSTJZSA-N 2 1 345.531 3.185 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C(C)C)cc2)C1 ZINC001193291267 1367990519 /nfs/dbraw/zinc/99/05/19/1367990519.db2.gz HBQKUVHSRQZRPQ-FQEVSTJZSA-N 2 1 345.531 3.185 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C(C)C)cc2)C1 ZINC001193291267 1367990524 /nfs/dbraw/zinc/99/05/24/1367990524.db2.gz HBQKUVHSRQZRPQ-FQEVSTJZSA-N 2 1 345.531 3.185 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193500185 1368047014 /nfs/dbraw/zinc/04/70/14/1368047014.db2.gz QUNLTPXMGJGTOM-QWPQOLDESA-N 2 1 344.503 3.040 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558911 1368061385 /nfs/dbraw/zinc/06/13/85/1368061385.db2.gz FGLNQAIFCDXBKP-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193561146 1368061979 /nfs/dbraw/zinc/06/19/79/1368061979.db2.gz WOTNABXSXOSFAA-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@@H](CC)c2ccccc2)C1 ZINC001193643036 1368081495 /nfs/dbraw/zinc/08/14/95/1368081495.db2.gz PTGNPVGGSWXARI-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](CC)c2ccccc2)C1 ZINC001193643036 1368081500 /nfs/dbraw/zinc/08/15/00/1368081500.db2.gz PTGNPVGGSWXARI-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](CC)c2ccccc2)C1 ZINC001193643036 1368081506 /nfs/dbraw/zinc/08/15/06/1368081506.db2.gz PTGNPVGGSWXARI-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110962012 1368126767 /nfs/dbraw/zinc/12/67/67/1368126767.db2.gz KBBCCURYQJTDOF-WTGUMLROSA-N 2 1 343.515 3.201 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1)[NH+](CC)CC ZINC001111018371 1368144242 /nfs/dbraw/zinc/14/42/42/1368144242.db2.gz RZGDKOJZHRVXDD-ZRNYENFQSA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C)C(C)C ZINC001111164127 1368174563 /nfs/dbraw/zinc/17/45/63/1368174563.db2.gz KGYIXTQVLMHRQQ-YRXWBPOGSA-N 2 1 337.552 3.120 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111218507 1368196417 /nfs/dbraw/zinc/19/64/17/1368196417.db2.gz NIAQRZIADKZHHS-QRVBRYPASA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194296230 1368225188 /nfs/dbraw/zinc/22/51/88/1368225188.db2.gz YRACARQBAZDBCJ-OALUTQOASA-N 2 1 331.504 3.011 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194296230 1368225194 /nfs/dbraw/zinc/22/51/94/1368225194.db2.gz YRACARQBAZDBCJ-OALUTQOASA-N 2 1 331.504 3.011 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194296230 1368225195 /nfs/dbraw/zinc/22/51/95/1368225195.db2.gz YRACARQBAZDBCJ-OALUTQOASA-N 2 1 331.504 3.011 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001111297858 1368257597 /nfs/dbraw/zinc/25/75/97/1368257597.db2.gz YENMXXJFRWQWNH-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CC1(C)CC(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+]2CCCC2)C3)C1 ZINC001111454175 1368310291 /nfs/dbraw/zinc/31/02/91/1368310291.db2.gz OEOGAOLKJGZCHW-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)C ZINC001111463237 1368311831 /nfs/dbraw/zinc/31/18/31/1368311831.db2.gz GAGZEQFVEFTNPX-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)C ZINC001111463237 1368311834 /nfs/dbraw/zinc/31/18/34/1368311834.db2.gz GAGZEQFVEFTNPX-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C ZINC001111463237 1368311839 /nfs/dbraw/zinc/31/18/39/1368311839.db2.gz GAGZEQFVEFTNPX-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC[N@@H+](CC2CCC(C)(C)CC2)CC1 ZINC001196970600 1368723221 /nfs/dbraw/zinc/72/32/21/1368723221.db2.gz NIDIBCZBIRTVST-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001112285442 1368748260 /nfs/dbraw/zinc/74/82/60/1368748260.db2.gz XODXEQQZQZOMKM-PTDRADOGSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H](C(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1)[NH+](CC)CC ZINC001197141068 1368753295 /nfs/dbraw/zinc/75/32/95/1368753295.db2.gz AAZRQWYMLGSQIM-SFHVURJKSA-N 2 1 339.568 3.467 20 0 EGADMP Cc1cccc(C[NH+]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)c1 ZINC001197180838 1368760442 /nfs/dbraw/zinc/76/04/42/1368760442.db2.gz NTXXFATWTOIXIN-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP Cc1cccc(C[N@H+]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)c1 ZINC001197180838 1368760447 /nfs/dbraw/zinc/76/04/47/1368760447.db2.gz NTXXFATWTOIXIN-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP Cc1cccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC2)c1 ZINC001197180838 1368760451 /nfs/dbraw/zinc/76/04/51/1368760451.db2.gz NTXXFATWTOIXIN-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001197396831 1368805574 /nfs/dbraw/zinc/80/55/74/1368805574.db2.gz QKGVQDJGCGJJMQ-PSCPARJHSA-N 2 1 347.547 3.284 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001197396831 1368805576 /nfs/dbraw/zinc/80/55/76/1368805576.db2.gz QKGVQDJGCGJJMQ-PSCPARJHSA-N 2 1 347.547 3.284 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001197396831 1368805581 /nfs/dbraw/zinc/80/55/81/1368805581.db2.gz QKGVQDJGCGJJMQ-PSCPARJHSA-N 2 1 347.547 3.284 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001197448236 1368817052 /nfs/dbraw/zinc/81/70/52/1368817052.db2.gz RUDFKIGOERPMGS-AATRIKPKSA-N 2 1 343.515 3.252 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001197767664 1368893141 /nfs/dbraw/zinc/89/31/41/1368893141.db2.gz GQUUTMUDEMJVMQ-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001198242898 1368987605 /nfs/dbraw/zinc/98/76/05/1368987605.db2.gz ACALZLBSADZBHD-PLNGDYQASA-N 2 1 335.536 3.143 20 0 EGADMP CC/C=C\CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001112855282 1369048810 /nfs/dbraw/zinc/04/88/10/1369048810.db2.gz QHPTXJFXKRNCLL-ZRHASKPBSA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([C@H]2CCC[NH+](CC)CC2)CC1 ZINC001186598059 1387979939 /nfs/dbraw/zinc/97/99/39/1387979939.db2.gz NVUUAXQJFIWDLR-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC([C@H]2CCC[N@H+](CC)CC2)CC1 ZINC001186598059 1387979944 /nfs/dbraw/zinc/97/99/44/1387979944.db2.gz NVUUAXQJFIWDLR-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC([C@H]2CCC[N@@H+](CC)CC2)CC1 ZINC001186598059 1387979947 /nfs/dbraw/zinc/97/99/47/1387979947.db2.gz NVUUAXQJFIWDLR-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+](C(C)C)CC2)CC1 ZINC001186605516 1387984427 /nfs/dbraw/zinc/98/44/27/1387984427.db2.gz ONXJSSUURCEZKU-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001186605516 1387984429 /nfs/dbraw/zinc/98/44/29/1387984429.db2.gz ONXJSSUURCEZKU-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC001186605516 1387984432 /nfs/dbraw/zinc/98/44/32/1387984432.db2.gz ONXJSSUURCEZKU-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CC[NH+](CCCC2CCCC2)CC1)[NH+](CC)CC ZINC001113338357 1369357554 /nfs/dbraw/zinc/35/75/54/1369357554.db2.gz ACTDPIRDMHMNTI-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]CCCC3CCC3)CC2)C1 ZINC001201044078 1369470492 /nfs/dbraw/zinc/47/04/92/1369470492.db2.gz PEQGCUUAEMFDQW-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CCC[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001201043622 1369470841 /nfs/dbraw/zinc/47/08/41/1369470841.db2.gz FAVHMTYEVBINLH-IBGZPJMESA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001201229709 1369499947 /nfs/dbraw/zinc/49/99/47/1369499947.db2.gz HFCORDHNRDAAAC-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(OC)c1)CCO2 ZINC001201502036 1369557360 /nfs/dbraw/zinc/55/73/60/1369557360.db2.gz FHKOTTKHNLQWBW-GOSISDBHSA-N 2 1 346.515 3.408 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(OC)c1)CCO2 ZINC001201502036 1369557364 /nfs/dbraw/zinc/55/73/64/1369557364.db2.gz FHKOTTKHNLQWBW-GOSISDBHSA-N 2 1 346.515 3.408 20 0 EGADMP CCCCCC[NH+]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001113717126 1369583898 /nfs/dbraw/zinc/58/38/98/1369583898.db2.gz OFGUZDCSRGYGHQ-UHFFFAOYSA-N 2 1 349.519 3.460 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H](COC)[N@@H+](Cc3nccs3)C2)CC1 ZINC001201706697 1369609342 /nfs/dbraw/zinc/60/93/42/1369609342.db2.gz PPMIJDYFVITMBY-MRXNPFEDSA-N 2 1 337.533 3.246 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001202144811 1369700434 /nfs/dbraw/zinc/70/04/34/1369700434.db2.gz KDHKYGQUPLAFIA-LIXSYLKWSA-N 2 1 349.563 3.435 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](CCC4CCOCC4)C[C@@H]3C2)cc1 ZINC001202668451 1369843899 /nfs/dbraw/zinc/84/38/99/1369843899.db2.gz MPSWWUVUPBZAEP-LEWJYISDSA-N 2 1 328.500 3.257 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001202947834 1369933822 /nfs/dbraw/zinc/93/38/22/1369933822.db2.gz WDWWDTZFJOUGNT-UHFFFAOYSA-N 2 1 348.535 3.379 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203035545 1369962342 /nfs/dbraw/zinc/96/23/42/1369962342.db2.gz CCGVXFXCJDFPON-WYNBNGFRSA-N 2 1 347.547 3.234 20 0 EGADMP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203103864 1369983974 /nfs/dbraw/zinc/98/39/74/1369983974.db2.gz NFCPCSSZJJBJRH-ZWKOTPCHSA-N 2 1 349.563 3.312 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001114624729 1369998778 /nfs/dbraw/zinc/99/87/78/1369998778.db2.gz XPAZIJJNJBBANU-GJPWGKPRSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2C(NC(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001114624729 1369998781 /nfs/dbraw/zinc/99/87/81/1369998781.db2.gz XPAZIJJNJBBANU-GJPWGKPRSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2C(NC(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001114624729 1369998783 /nfs/dbraw/zinc/99/87/83/1369998783.db2.gz XPAZIJJNJBBANU-GJPWGKPRSA-N 2 1 347.547 3.044 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001203214551 1370028043 /nfs/dbraw/zinc/02/80/43/1370028043.db2.gz LQAHUDYJMVUJML-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](F)C[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001203313836 1370078238 /nfs/dbraw/zinc/07/82/38/1370078238.db2.gz UJLLYGPHWICQLS-IEBWSBKVSA-N 2 1 349.494 3.008 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001203459426 1370133383 /nfs/dbraw/zinc/13/33/83/1370133383.db2.gz DWPTXJDFDKROMR-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC001203460944 1370134323 /nfs/dbraw/zinc/13/43/23/1370134323.db2.gz YHSUXHNENHBBRF-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001114920735 1370149481 /nfs/dbraw/zinc/14/94/81/1370149481.db2.gz AAMOKTNHHPRCFL-NKEGRVEZSA-N 2 1 347.547 3.044 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203650497 1370201642 /nfs/dbraw/zinc/20/16/42/1370201642.db2.gz HYYDLZDJZMBBNN-RBUKOAKNSA-N 2 1 349.563 3.316 20 0 EGADMP Oc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001204093164 1370376535 /nfs/dbraw/zinc/37/65/35/1370376535.db2.gz DHFHCFKTJLDHPB-UHFFFAOYSA-N 2 1 337.467 3.275 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)cc1 ZINC001204264686 1370426048 /nfs/dbraw/zinc/42/60/48/1370426048.db2.gz WGQIZDOJVHPXIJ-ZWKOTPCHSA-N 2 1 326.431 3.289 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)cc1 ZINC001204264686 1370426051 /nfs/dbraw/zinc/42/60/51/1370426051.db2.gz WGQIZDOJVHPXIJ-ZWKOTPCHSA-N 2 1 326.431 3.289 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)c(C)c1)C2 ZINC001204353781 1370451221 /nfs/dbraw/zinc/45/12/21/1370451221.db2.gz UBQYYBXSIJMJRJ-YADHBBJMSA-N 2 1 342.527 3.484 20 0 EGADMP Cc1c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cnn1C ZINC001204577057 1370521170 /nfs/dbraw/zinc/52/11/70/1370521170.db2.gz PHUHAQOGNNDZCF-UXHICEINSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cnn1C ZINC001204577057 1370521174 /nfs/dbraw/zinc/52/11/74/1370521174.db2.gz PHUHAQOGNNDZCF-UXHICEINSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cnn1C ZINC001204577057 1370521176 /nfs/dbraw/zinc/52/11/76/1370521176.db2.gz PHUHAQOGNNDZCF-UXHICEINSA-N 2 1 338.499 3.073 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCCC1 ZINC001115535351 1370531919 /nfs/dbraw/zinc/53/19/19/1370531919.db2.gz SJFQLJQDODCXDL-SJORKVTESA-N 2 1 341.515 3.016 20 0 EGADMP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115535368 1370532394 /nfs/dbraw/zinc/53/23/94/1370532394.db2.gz SRKOZEAUXAIUKW-ZWKOTPCHSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC001115535357 1370532416 /nfs/dbraw/zinc/53/24/16/1370532416.db2.gz SOHQQPBHLSCXFZ-AYAUWGRQSA-N 2 1 341.927 3.020 20 0 EGADMP Brc1ccccc1CC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727889 1370556279 /nfs/dbraw/zinc/55/62/79/1370556279.db2.gz UQNQIDQLAAAFGA-UHFFFAOYSA-N 2 1 337.305 3.457 20 0 EGADMP Brc1cccc(CC[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204727914 1370556824 /nfs/dbraw/zinc/55/68/24/1370556824.db2.gz WCTOGRFFJBYCLI-UHFFFAOYSA-N 2 1 337.305 3.457 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC(C)C)CCCCC1 ZINC001115563608 1370563183 /nfs/dbraw/zinc/56/31/83/1370563183.db2.gz XWZXVJQCHFETAC-SFHVURJKSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CCCCC1 ZINC001115571746 1370573848 /nfs/dbraw/zinc/57/38/48/1370573848.db2.gz MXJZYRKRKLXRMG-LJQANCHMSA-N 2 1 349.563 3.339 20 0 EGADMP CC[C@@H](C)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579336 1370582596 /nfs/dbraw/zinc/58/25/96/1370582596.db2.gz IPQQCZHRNKSEBL-QZTJIDSGSA-N 2 1 337.552 3.316 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCCC1 ZINC001115591726 1370592505 /nfs/dbraw/zinc/59/25/05/1370592505.db2.gz BLEWAPZCUJXMSJ-ROUUACIJSA-N 2 1 335.536 3.212 20 0 EGADMP Cc1oc(-c2cccs2)nc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC001204914163 1370604294 /nfs/dbraw/zinc/60/42/94/1370604294.db2.gz AGDURSQWVNJECQ-UHFFFAOYSA-N 2 1 349.500 3.254 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc3cc(Br)ccc3[nH]2)C1 ZINC001205008409 1370626765 /nfs/dbraw/zinc/62/67/65/1370626765.db2.gz AANKHLXNAGBHBV-GFCCVEGCSA-N 2 1 336.277 3.362 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc3cc(Br)ccc3[nH]2)C1 ZINC001205008409 1370626770 /nfs/dbraw/zinc/62/67/70/1370626770.db2.gz AANKHLXNAGBHBV-GFCCVEGCSA-N 2 1 336.277 3.362 20 0 EGADMP CCCCCCOc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205209474 1370681630 /nfs/dbraw/zinc/68/16/30/1370681630.db2.gz JRDPGMHRBIHDRE-FQEVSTJZSA-N 2 1 334.504 3.321 20 0 EGADMP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC001205289801 1370707987 /nfs/dbraw/zinc/70/79/87/1370707987.db2.gz LYIDYYMWDKYSLE-UHFFFAOYSA-N 2 1 327.472 3.243 20 0 EGADMP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC001205289801 1370707997 /nfs/dbraw/zinc/70/79/97/1370707997.db2.gz LYIDYYMWDKYSLE-UHFFFAOYSA-N 2 1 327.472 3.243 20 0 EGADMP CC/C=C/CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115729460 1370711533 /nfs/dbraw/zinc/71/15/33/1370711533.db2.gz GSHDGXFTYKEOQA-SHCNBLLESA-N 2 1 335.536 3.093 20 0 EGADMP C[N@@H+](CC(=O)NCC1([NH2+]CCC2CC2)CCCCC1)CC(C)(C)C ZINC001115730756 1370714245 /nfs/dbraw/zinc/71/42/45/1370714245.db2.gz SLCOQZVLRVFAST-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205304687 1370715369 /nfs/dbraw/zinc/71/53/69/1370715369.db2.gz OZKHOIFRSKSPEA-DGCLKSJQSA-N 2 1 332.366 3.011 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205304687 1370715373 /nfs/dbraw/zinc/71/53/73/1370715373.db2.gz OZKHOIFRSKSPEA-DGCLKSJQSA-N 2 1 332.366 3.011 20 0 EGADMP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001205334732 1370725309 /nfs/dbraw/zinc/72/53/09/1370725309.db2.gz QLXLWDULZGMIMN-PXIXMTEYSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001115760821 1370745256 /nfs/dbraw/zinc/74/52/56/1370745256.db2.gz UNERDTQGPNWKCA-SFHVURJKSA-N 2 1 335.536 3.068 20 0 EGADMP COc1ccc(C(C)(C)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OC ZINC001205409245 1370746874 /nfs/dbraw/zinc/74/68/74/1370746874.db2.gz KBKBJWDIALIIFI-QGZVFWFLSA-N 2 1 334.504 3.398 20 0 EGADMP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H](C)Cc2cnc[nH]2)CCCCC1 ZINC001115765900 1370750428 /nfs/dbraw/zinc/75/04/28/1370750428.db2.gz KYCGXIUISVVCFP-LAQIPUCWSA-N 2 1 346.519 3.353 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001205483930 1370769207 /nfs/dbraw/zinc/76/92/07/1370769207.db2.gz YLYJBQCZVAFRCP-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001205519069 1370778449 /nfs/dbraw/zinc/77/84/49/1370778449.db2.gz UIXODRSGJGRNNU-FZZLMOMWSA-N 2 1 347.547 3.188 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001205526519 1370781482 /nfs/dbraw/zinc/78/14/82/1370781482.db2.gz YODWNQSUZREEMW-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)[C@H]1SC ZINC001205554372 1370789527 /nfs/dbraw/zinc/78/95/27/1370789527.db2.gz DBKHQCBUVIBQDE-XMTFNYHQSA-N 2 1 326.550 3.282 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)[C@H]1SC ZINC001205554372 1370789531 /nfs/dbraw/zinc/78/95/31/1370789531.db2.gz DBKHQCBUVIBQDE-XMTFNYHQSA-N 2 1 326.550 3.282 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(Cl)c1OC ZINC001205558388 1370790903 /nfs/dbraw/zinc/79/09/03/1370790903.db2.gz DTGACNVYWHMDNL-MRXNPFEDSA-N 2 1 330.831 3.010 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2sc(N3CCCC3)nc2Cl)CC1 ZINC001205558207 1370791632 /nfs/dbraw/zinc/79/16/32/1370791632.db2.gz CUOPWPXOPQCKNP-HNNXBMFYSA-N 2 1 346.903 3.050 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001205560970 1370791940 /nfs/dbraw/zinc/79/19/40/1370791940.db2.gz CHZREUWDHAPABU-KRWDZBQOSA-N 2 1 339.568 3.227 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cnc(C(F)(F)F)cc2Cl)CC1 ZINC001205570047 1370794410 /nfs/dbraw/zinc/79/44/10/1370794410.db2.gz DHFYFMVDUFYGOC-ZDUSSCGKSA-N 2 1 339.764 3.407 20 0 EGADMP Cc1cc(Br)cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205570375 1370795685 /nfs/dbraw/zinc/79/56/85/1370795685.db2.gz JHUBHACUMAZSRJ-HNNXBMFYSA-N 2 1 329.257 3.410 20 0 EGADMP COc1ccc(Br)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205603016 1370808067 /nfs/dbraw/zinc/80/80/67/1370808067.db2.gz MRQQLCCHWJWPBZ-QWHCGFSZSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1C[NH3+] ZINC001205602633 1370808092 /nfs/dbraw/zinc/80/80/92/1370808092.db2.gz KSQSMCUKLNXVBE-NQIIRXRSSA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cnc(Cl)cc2Br)CC[C@H]1C[NH3+] ZINC001205638064 1370821589 /nfs/dbraw/zinc/82/15/89/1370821589.db2.gz KWMRHGSIAJYQIW-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cnc(Cl)cc2Br)CC[C@H]1C[NH3+] ZINC001205638064 1370821597 /nfs/dbraw/zinc/82/15/97/1370821597.db2.gz KWMRHGSIAJYQIW-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC001205672325 1370837411 /nfs/dbraw/zinc/83/74/11/1370837411.db2.gz IVEZFPVFTJLDDS-HXUWFJFHSA-N 2 1 326.440 3.155 20 0 EGADMP Cc1cccc2c1[nH+]c(N)n2-c1ccc(C2([NH+]3CCOCC3)CC2)cc1 ZINC001205780458 1370866869 /nfs/dbraw/zinc/86/68/69/1370866869.db2.gz IZAHIXHMLIXUNO-UHFFFAOYSA-N 2 1 348.450 3.237 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC001116293473 1370880700 /nfs/dbraw/zinc/88/07/00/1370880700.db2.gz REUSFDFYUYGFIG-CVEARBPZSA-N 2 1 331.460 3.026 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205903476 1370906258 /nfs/dbraw/zinc/90/62/58/1370906258.db2.gz PMSHGHDHIREKOM-GJZGRUSLSA-N 2 1 343.471 3.212 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205903476 1370906260 /nfs/dbraw/zinc/90/62/60/1370906260.db2.gz PMSHGHDHIREKOM-GJZGRUSLSA-N 2 1 343.471 3.212 20 0 EGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001116445538 1370913707 /nfs/dbraw/zinc/91/37/07/1370913707.db2.gz UDFYGJNLHZTJQC-FPOVZHCZSA-N 2 1 344.499 3.162 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCC[C@@H]1C[NH3+] ZINC001205981698 1370929542 /nfs/dbraw/zinc/92/95/42/1370929542.db2.gz FLXRFPKUYKAAIW-HLAWJBBLSA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[C@@H]1C[NH3+] ZINC001205981698 1370929545 /nfs/dbraw/zinc/92/95/45/1370929545.db2.gz FLXRFPKUYKAAIW-HLAWJBBLSA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[C@@H]1C[NH3+] ZINC001205981698 1370929548 /nfs/dbraw/zinc/92/95/48/1370929548.db2.gz FLXRFPKUYKAAIW-HLAWJBBLSA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CCC[C@@H]1C[NH3+] ZINC001205981698 1370929550 /nfs/dbraw/zinc/92/95/50/1370929550.db2.gz FLXRFPKUYKAAIW-HLAWJBBLSA-N 2 1 329.532 3.205 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CCC[C@@H]1C[NH3+] ZINC001205981698 1370929553 /nfs/dbraw/zinc/92/95/53/1370929553.db2.gz FLXRFPKUYKAAIW-HLAWJBBLSA-N 2 1 329.532 3.205 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(Br)c2F)CCC[C@H]1C[NH3+] ZINC001206004739 1370935618 /nfs/dbraw/zinc/93/56/18/1370935618.db2.gz UVXWSCFUDJTTOV-NEPJUHHUSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cnc(Cl)cc2Br)CCC[C@@H]1C[NH3+] ZINC001206013201 1370938217 /nfs/dbraw/zinc/93/82/17/1370938217.db2.gz QGGHTQUXMNRAMF-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cnc(Cl)cc2Br)CCC[C@@H]1C[NH3+] ZINC001206013201 1370938222 /nfs/dbraw/zinc/93/82/22/1370938222.db2.gz QGGHTQUXMNRAMF-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1Br ZINC001206013823 1370939069 /nfs/dbraw/zinc/93/90/69/1370939069.db2.gz ULFIONGZOKNMRJ-JSGCOSHPSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CCC[C@@H]1C[NH3+] ZINC001206022176 1370941152 /nfs/dbraw/zinc/94/11/52/1370941152.db2.gz BLMFSDBKUZDVEL-QWHCGFSZSA-N 2 1 333.863 3.401 20 0 EGADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@@H]1F ZINC001206167063 1370978445 /nfs/dbraw/zinc/97/84/45/1370978445.db2.gz WSPOJRVNUNLNRN-ROUUACIJSA-N 2 1 338.430 3.287 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@@H]1F ZINC001206167063 1370978446 /nfs/dbraw/zinc/97/84/46/1370978446.db2.gz WSPOJRVNUNLNRN-ROUUACIJSA-N 2 1 338.430 3.287 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1OC1CCCC1 ZINC001206173006 1370980345 /nfs/dbraw/zinc/98/03/45/1370980345.db2.gz DTPMNQXZZUHJBB-SJORKVTESA-N 2 1 336.451 3.278 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1OC1CCCC1 ZINC001206173006 1370980347 /nfs/dbraw/zinc/98/03/47/1370980347.db2.gz DTPMNQXZZUHJBB-SJORKVTESA-N 2 1 336.451 3.278 20 0 EGADMP COc1ccc(-c2ccncc2)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206211297 1370994584 /nfs/dbraw/zinc/99/45/84/1370994584.db2.gz NBURDAGLGQNPTR-OALUTQOASA-N 2 1 329.419 3.018 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001206273830 1371009656 /nfs/dbraw/zinc/00/96/56/1371009656.db2.gz AHMSOLSGNKOGGP-SFHVURJKSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc3cc(Br)cnc3c2)C1 ZINC001206276300 1371010106 /nfs/dbraw/zinc/01/01/06/1371010106.db2.gz DVDLCXIHBGQXNE-LBPRGKRZSA-N 2 1 334.261 3.039 20 0 EGADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc3cc(Br)cnc3c2)C1 ZINC001206276300 1371010116 /nfs/dbraw/zinc/01/01/16/1371010116.db2.gz DVDLCXIHBGQXNE-LBPRGKRZSA-N 2 1 334.261 3.039 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2Oc2cnccn2)CC1 ZINC001206326807 1371023112 /nfs/dbraw/zinc/02/31/12/1371023112.db2.gz PGXGGKCLVJIEPD-IBGZPJMESA-N 2 1 326.444 3.220 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ncc(Cl)cc2Br)CC1 ZINC001206326300 1371023654 /nfs/dbraw/zinc/02/36/54/1371023654.db2.gz MODLMDLESZAULY-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2ncc(Cl)cc2Br)CC1 ZINC001206326300 1371023649 /nfs/dbraw/zinc/02/36/49/1371023649.db2.gz MODLMDLESZAULY-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP COC(=O)CCCCCCCCC[N@H+]1CCCC[C@](F)(CN)C1 ZINC001206336746 1371026759 /nfs/dbraw/zinc/02/67/59/1371026759.db2.gz OLQPIYKXSZTIPV-SFHVURJKSA-N 2 1 330.488 3.433 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]CC[C@H](C)F)CC1 ZINC001206621895 1371111018 /nfs/dbraw/zinc/11/10/18/1371111018.db2.gz IUQHZEJVWPRHQP-KRWDZBQOSA-N 2 1 343.531 3.075 20 0 EGADMP COc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c(C(F)(F)F)c1OC ZINC001206641201 1371116091 /nfs/dbraw/zinc/11/60/91/1371116091.db2.gz UJOKIEWIRTVDOZ-GFCCVEGCSA-N 2 1 346.393 3.283 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(C(F)(F)F)c1OC ZINC001206641201 1371116095 /nfs/dbraw/zinc/11/60/95/1371116095.db2.gz UJOKIEWIRTVDOZ-GFCCVEGCSA-N 2 1 346.393 3.283 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1c(Br)[nH]c2ccccc21 ZINC001206767655 1371157997 /nfs/dbraw/zinc/15/79/97/1371157997.db2.gz DEYLAWIWJVCQDL-RYUDHWBXSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1c(Br)[nH]c2ccccc21 ZINC001206767655 1371158000 /nfs/dbraw/zinc/15/80/00/1371158000.db2.gz DEYLAWIWJVCQDL-RYUDHWBXSA-N 2 1 336.277 3.490 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206771808 1371160329 /nfs/dbraw/zinc/16/03/29/1371160329.db2.gz XTLDXMNVQFSEEW-NEPJUHHUSA-N 2 1 332.366 3.153 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206771808 1371160331 /nfs/dbraw/zinc/16/03/31/1371160331.db2.gz XTLDXMNVQFSEEW-NEPJUHHUSA-N 2 1 332.366 3.153 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206771810 1371161003 /nfs/dbraw/zinc/16/10/03/1371161003.db2.gz XTLDXMNVQFSEEW-RYUDHWBXSA-N 2 1 332.366 3.153 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206771810 1371161010 /nfs/dbraw/zinc/16/10/10/1371161010.db2.gz XTLDXMNVQFSEEW-RYUDHWBXSA-N 2 1 332.366 3.153 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OC(C)(C)C)cc1 ZINC001118352045 1371165970 /nfs/dbraw/zinc/16/59/70/1371165970.db2.gz SUZMOVFYLLULJC-QGZVFWFLSA-N 2 1 346.519 3.005 20 0 EGADMP CC[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC001118351996 1371166234 /nfs/dbraw/zinc/16/62/34/1371166234.db2.gz RADVCOOYQSKPCC-LBPRGKRZSA-N 2 1 344.381 3.253 20 0 EGADMP Cc1cc(CN2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)no1 ZINC001206815225 1371178557 /nfs/dbraw/zinc/17/85/57/1371178557.db2.gz FAOUUHYXHTVRAS-SFHVURJKSA-N 2 1 329.444 3.453 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)no1 ZINC001206815225 1371178559 /nfs/dbraw/zinc/17/85/59/1371178559.db2.gz FAOUUHYXHTVRAS-SFHVURJKSA-N 2 1 329.444 3.453 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)no1 ZINC001206815225 1371178562 /nfs/dbraw/zinc/17/85/62/1371178562.db2.gz FAOUUHYXHTVRAS-SFHVURJKSA-N 2 1 329.444 3.453 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001206889599 1371209929 /nfs/dbraw/zinc/20/99/29/1371209929.db2.gz ZJSMFZASOMQWDK-GOSISDBHSA-N 2 1 339.568 3.229 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CCCC(C)C)CC1 ZINC001206952271 1371242758 /nfs/dbraw/zinc/24/27/58/1371242758.db2.gz HNRYPEXHGFFKSO-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001207006977 1371264928 /nfs/dbraw/zinc/26/49/28/1371264928.db2.gz DMMNKJBMUVZKRS-PUSMVSPTSA-N 2 1 346.519 3.189 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207006977 1371264932 /nfs/dbraw/zinc/26/49/32/1371264932.db2.gz DMMNKJBMUVZKRS-PUSMVSPTSA-N 2 1 346.519 3.189 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207006977 1371264936 /nfs/dbraw/zinc/26/49/36/1371264936.db2.gz DMMNKJBMUVZKRS-PUSMVSPTSA-N 2 1 346.519 3.189 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3CN(Cc4[nH+]cc5ccccn54)C[C@@H]3C2)cc1 ZINC001207051230 1371277757 /nfs/dbraw/zinc/27/77/57/1371277757.db2.gz YJTVUAJROKZLOC-PMACEKPBSA-N 2 1 346.478 3.207 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2)cn1 ZINC001326201909 1388126988 /nfs/dbraw/zinc/12/69/88/1388126988.db2.gz LQTWHLPHPIIPJO-UXHICEINSA-N 2 1 338.499 3.299 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cc[nH]c(=O)c3)C[C@@H]21 ZINC001207122884 1371300348 /nfs/dbraw/zinc/30/03/48/1371300348.db2.gz YBIYHOAGZHHWIM-ZJOUEHCJSA-N 2 1 337.467 3.398 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cc[nH]c(=O)c3)C[C@@H]21 ZINC001207122884 1371300351 /nfs/dbraw/zinc/30/03/51/1371300351.db2.gz YBIYHOAGZHHWIM-ZJOUEHCJSA-N 2 1 337.467 3.398 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cc[nH]c(=O)c3)C[C@@H]21 ZINC001207122884 1371300356 /nfs/dbraw/zinc/30/03/56/1371300356.db2.gz YBIYHOAGZHHWIM-ZJOUEHCJSA-N 2 1 337.467 3.398 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[N@H+](CCOCc4ccccc4)C[C@H]3C2)c1 ZINC001207231881 1371337161 /nfs/dbraw/zinc/33/71/61/1371337161.db2.gz VARIQQWLOFARAJ-KDURUIRLSA-N 2 1 342.508 3.329 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](CCOCc4ccccc4)C[C@H]3C2)c1 ZINC001207231881 1371337165 /nfs/dbraw/zinc/33/71/65/1371337165.db2.gz VARIQQWLOFARAJ-KDURUIRLSA-N 2 1 342.508 3.329 20 0 EGADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](CCOCc4ccccc4)C[C@H]3C2)c1 ZINC001207231881 1371337168 /nfs/dbraw/zinc/33/71/68/1371337168.db2.gz VARIQQWLOFARAJ-KDURUIRLSA-N 2 1 342.508 3.329 20 0 EGADMP c1csc(C[N@H+]2C[C@H]3C[NH+](CCOCc4ccccc4)C[C@H]3C2)c1 ZINC001207231881 1371337171 /nfs/dbraw/zinc/33/71/71/1371337171.db2.gz VARIQQWLOFARAJ-KDURUIRLSA-N 2 1 342.508 3.329 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001207288385 1371351490 /nfs/dbraw/zinc/35/14/90/1371351490.db2.gz NHKFOOKATZCWFA-WKILWMFISA-N 2 1 341.540 3.342 20 0 EGADMP c1ccc(C[NH+]2CCC(CN3CCC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC001207291730 1371352615 /nfs/dbraw/zinc/35/26/15/1371352615.db2.gz WETKBQVXTBHHCF-NRFANRHFSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCC[C@]4(CCOC4)C3)CC2)cc1 ZINC001207289694 1371352948 /nfs/dbraw/zinc/35/29/48/1371352948.db2.gz WHIPRVBTJVQQRX-NRFANRHFSA-N 2 1 328.500 3.401 20 0 EGADMP Cc1cccc(CC[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001207533985 1371427121 /nfs/dbraw/zinc/42/71/21/1371427121.db2.gz HHDSIROHLJBWNN-OAQYLSRUSA-N 2 1 330.516 3.360 20 0 EGADMP Cc1cccc(CC[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001207533985 1371427123 /nfs/dbraw/zinc/42/71/23/1371427123.db2.gz HHDSIROHLJBWNN-OAQYLSRUSA-N 2 1 330.516 3.360 20 0 EGADMP Cc1cccc(CC[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001207533985 1371427126 /nfs/dbraw/zinc/42/71/26/1371427126.db2.gz HHDSIROHLJBWNN-OAQYLSRUSA-N 2 1 330.516 3.360 20 0 EGADMP Cc1cccc(CC[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001207533985 1371427129 /nfs/dbraw/zinc/42/71/29/1371427129.db2.gz HHDSIROHLJBWNN-OAQYLSRUSA-N 2 1 330.516 3.360 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001207540700 1371430382 /nfs/dbraw/zinc/43/03/82/1371430382.db2.gz AHBYYQOCQJOTQJ-CEXWTWQISA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001207540700 1371430387 /nfs/dbraw/zinc/43/03/87/1371430387.db2.gz AHBYYQOCQJOTQJ-CEXWTWQISA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001207540700 1371430390 /nfs/dbraw/zinc/43/03/90/1371430390.db2.gz AHBYYQOCQJOTQJ-CEXWTWQISA-N 2 1 337.552 3.266 20 0 EGADMP COc1cccc(CCC[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)c1 ZINC001207572753 1371438884 /nfs/dbraw/zinc/43/88/84/1371438884.db2.gz FRNUQNCBZWDHPH-UHFFFAOYSA-N 2 1 346.515 3.203 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(-c4ccccn4)n3)C[C@H]2C1 ZINC001119990323 1371444579 /nfs/dbraw/zinc/44/45/79/1371444579.db2.gz VQBKYNOUPZPZPC-BFYDXBDKSA-N 2 1 342.512 3.367 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207750244 1371493603 /nfs/dbraw/zinc/49/36/03/1371493603.db2.gz NIFKGXAYMOJFEZ-QRQLOZEOSA-N 2 1 345.531 3.305 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001207750244 1371493605 /nfs/dbraw/zinc/49/36/05/1371493605.db2.gz NIFKGXAYMOJFEZ-QRQLOZEOSA-N 2 1 345.531 3.305 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001207750244 1371493610 /nfs/dbraw/zinc/49/36/10/1371493610.db2.gz NIFKGXAYMOJFEZ-QRQLOZEOSA-N 2 1 345.531 3.305 20 0 EGADMP CCC/C=C\CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCCCC1 ZINC001120141120 1371494186 /nfs/dbraw/zinc/49/41/86/1371494186.db2.gz SCYYSWRQBRQGPU-WAYWQWQTSA-N 2 1 346.519 3.347 20 0 EGADMP CC1(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)COC1 ZINC001207799542 1371508217 /nfs/dbraw/zinc/50/82/17/1371508217.db2.gz ARPGKPXNXBABRJ-UHFFFAOYSA-N 2 1 328.500 3.401 20 0 EGADMP CC(C)(C)OC(=O)NC1CC2(C1)CC([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001207854064 1371520099 /nfs/dbraw/zinc/52/00/99/1371520099.db2.gz HIFFEEOEFMLOQM-UHFFFAOYSA-N 2 1 349.519 3.039 20 0 EGADMP C[C@H](C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1)c1ccccc1 ZINC001207907703 1371534488 /nfs/dbraw/zinc/53/44/88/1371534488.db2.gz WCRCZVUVMACSCI-STZQEDGTSA-N 2 1 342.527 3.470 20 0 EGADMP C[C@H](C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1)c1ccccc1 ZINC001207907703 1371534492 /nfs/dbraw/zinc/53/44/92/1371534492.db2.gz WCRCZVUVMACSCI-STZQEDGTSA-N 2 1 342.527 3.470 20 0 EGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001207918157 1371539391 /nfs/dbraw/zinc/53/93/91/1371539391.db2.gz KQOQKGVTWVIQTP-LJQANCHMSA-N 2 1 345.575 3.342 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208014843 1371569083 /nfs/dbraw/zinc/56/90/83/1371569083.db2.gz UHASKLWJFCJUDC-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208014845 1371569690 /nfs/dbraw/zinc/56/96/90/1371569690.db2.gz UHASKLWJFCJUDC-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430540 1371574107 /nfs/dbraw/zinc/57/41/07/1371574107.db2.gz LOWXWMHKKMEJMQ-KJYWSYJISA-N 2 1 349.563 3.388 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CC2CCCC2)C1 ZINC001120450623 1371581192 /nfs/dbraw/zinc/58/11/92/1371581192.db2.gz XIZKKISLVAEDBZ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC2CCCC2)C1 ZINC001120450623 1371581195 /nfs/dbraw/zinc/58/11/95/1371581195.db2.gz XIZKKISLVAEDBZ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC2CCCC2)C1 ZINC001120450623 1371581198 /nfs/dbraw/zinc/58/11/98/1371581198.db2.gz XIZKKISLVAEDBZ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH+]2CCC2CC2)C1 ZINC001120450590 1371581576 /nfs/dbraw/zinc/58/15/76/1371581576.db2.gz WUEPSAAYHSUVOL-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CCC2CC2)C1 ZINC001120450590 1371581578 /nfs/dbraw/zinc/58/15/78/1371581578.db2.gz WUEPSAAYHSUVOL-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CCC2CC2)C1 ZINC001120450590 1371581582 /nfs/dbraw/zinc/58/15/82/1371581582.db2.gz WUEPSAAYHSUVOL-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP c1cnn(CCC[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001208086418 1371592091 /nfs/dbraw/zinc/59/20/91/1371592091.db2.gz MHOUKJSTTRPQBY-RTWAWAEBSA-N 2 1 338.499 3.117 20 0 EGADMP c1cnn(CCC[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001208086418 1371592093 /nfs/dbraw/zinc/59/20/93/1371592093.db2.gz MHOUKJSTTRPQBY-RTWAWAEBSA-N 2 1 338.499 3.117 20 0 EGADMP c1cnn(CCC[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001208086418 1371592097 /nfs/dbraw/zinc/59/20/97/1371592097.db2.gz MHOUKJSTTRPQBY-RTWAWAEBSA-N 2 1 338.499 3.117 20 0 EGADMP CS[C@@H](C)CC[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001208142474 1371608553 /nfs/dbraw/zinc/60/85/53/1371608553.db2.gz OKJRPIHUEOXXHA-INIZCTEOSA-N 2 1 338.517 3.088 20 0 EGADMP CS[C@@H](C)CC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001208142474 1371608559 /nfs/dbraw/zinc/60/85/59/1371608559.db2.gz OKJRPIHUEOXXHA-INIZCTEOSA-N 2 1 338.517 3.088 20 0 EGADMP C[NH+](C)CC1(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC001208188151 1371625941 /nfs/dbraw/zinc/62/59/41/1371625941.db2.gz UHSNWQBTCUTSTI-RTWAWAEBSA-N 2 1 341.543 3.315 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331546 1371720364 /nfs/dbraw/zinc/72/03/64/1371720364.db2.gz UAOANNGVAUULBB-ASIGSXEYSA-N 2 1 335.536 3.186 20 0 EGADMP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208334283 1371722113 /nfs/dbraw/zinc/72/21/13/1371722113.db2.gz HQSJZEUMTAERDX-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001208334752 1371722480 /nfs/dbraw/zinc/72/24/80/1371722480.db2.gz MBPQYGPNMGIMQJ-DLBZAZTESA-N 2 1 346.519 3.167 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001208395673 1371752638 /nfs/dbraw/zinc/75/26/38/1371752638.db2.gz AZLCEEABINPIOB-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001208395673 1371752643 /nfs/dbraw/zinc/75/26/43/1371752643.db2.gz AZLCEEABINPIOB-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001208395673 1371752648 /nfs/dbraw/zinc/75/26/48/1371752648.db2.gz AZLCEEABINPIOB-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001208395672 1371753139 /nfs/dbraw/zinc/75/31/39/1371753139.db2.gz AZLCEEABINPIOB-CEXWTWQISA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001208395672 1371753141 /nfs/dbraw/zinc/75/31/41/1371753141.db2.gz AZLCEEABINPIOB-CEXWTWQISA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001208395672 1371753144 /nfs/dbraw/zinc/75/31/44/1371753144.db2.gz AZLCEEABINPIOB-CEXWTWQISA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208475179 1371782173 /nfs/dbraw/zinc/78/21/73/1371782173.db2.gz SFDNCVBFKXLSQY-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP FC1CC[NH+](C2CN(C[C@H]3CCCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001208588384 1371830384 /nfs/dbraw/zinc/83/03/84/1371830384.db2.gz HEXYDDBFNSXBKM-HXUWFJFHSA-N 2 1 345.506 3.159 20 0 EGADMP FC1CC[NH+](C2CN(C[C@H]3CCCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001208588384 1371830389 /nfs/dbraw/zinc/83/03/89/1371830389.db2.gz HEXYDDBFNSXBKM-HXUWFJFHSA-N 2 1 345.506 3.159 20 0 EGADMP CC[N@@H+](C)C1CCN(C[C@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC001208594315 1371832683 /nfs/dbraw/zinc/83/26/83/1371832683.db2.gz MSCHJUPMRUKUSN-OAQYLSRUSA-N 2 1 329.532 3.457 20 0 EGADMP CC[NH+](C)C1CCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208594315 1371832685 /nfs/dbraw/zinc/83/26/85/1371832685.db2.gz MSCHJUPMRUKUSN-OAQYLSRUSA-N 2 1 329.532 3.457 20 0 EGADMP CC[NH+](C)C1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208594315 1371832688 /nfs/dbraw/zinc/83/26/88/1371832688.db2.gz MSCHJUPMRUKUSN-OAQYLSRUSA-N 2 1 329.532 3.457 20 0 EGADMP CC[NH+]1CCC(CN2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001208596759 1371834861 /nfs/dbraw/zinc/83/48/61/1371834861.db2.gz YNNAAMKAUDPZBS-YADHBBJMSA-N 2 1 341.543 3.315 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208602514 1371835750 /nfs/dbraw/zinc/83/57/50/1371835750.db2.gz GMOBBDMWUSEOKG-NRFANRHFSA-N 2 1 329.532 3.315 20 0 EGADMP CC[N@@H+](CC1CC[NH+](CC)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208601700 1371836551 /nfs/dbraw/zinc/83/65/51/1371836551.db2.gz RIVPGOQUKWBMJV-KRWDZBQOSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)C1 ZINC001208605924 1371838514 /nfs/dbraw/zinc/83/85/14/1371838514.db2.gz BYNLVLVSDATZHQ-OXXUSNJHSA-N 2 1 347.528 3.124 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)C1 ZINC001208605924 1371838518 /nfs/dbraw/zinc/83/85/18/1371838518.db2.gz BYNLVLVSDATZHQ-OXXUSNJHSA-N 2 1 347.528 3.124 20 0 EGADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)C1 ZINC001208605924 1371838519 /nfs/dbraw/zinc/83/85/19/1371838519.db2.gz BYNLVLVSDATZHQ-OXXUSNJHSA-N 2 1 347.528 3.124 20 0 EGADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)C1 ZINC001208605924 1371838522 /nfs/dbraw/zinc/83/85/22/1371838522.db2.gz BYNLVLVSDATZHQ-OXXUSNJHSA-N 2 1 347.528 3.124 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(C[C@H]1CCC[NH+](C)C1)CC2 ZINC001208611715 1371839721 /nfs/dbraw/zinc/83/97/21/1371839721.db2.gz XGAVHKCMRZQKIY-AZUAARDMSA-N 2 1 345.531 3.298 20 0 EGADMP C[NH+](Cc1ccco1)[C@@H]1CCC12CCN(C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001208611715 1371839737 /nfs/dbraw/zinc/83/97/37/1371839737.db2.gz XGAVHKCMRZQKIY-AZUAARDMSA-N 2 1 345.531 3.298 20 0 EGADMP C[NH+](Cc1ccco1)[C@@H]1CCC12CCN(C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001208611715 1371839739 /nfs/dbraw/zinc/83/97/39/1371839739.db2.gz XGAVHKCMRZQKIY-AZUAARDMSA-N 2 1 345.531 3.298 20 0 EGADMP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@H]1CCC[NH+](C)C1)CC2 ZINC001208611715 1371839745 /nfs/dbraw/zinc/83/97/45/1371839745.db2.gz XGAVHKCMRZQKIY-AZUAARDMSA-N 3 1 345.531 3.298 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@H]1CCC[NH+](C)C1)CC2 ZINC001208611715 1371839751 /nfs/dbraw/zinc/83/97/51/1371839751.db2.gz XGAVHKCMRZQKIY-AZUAARDMSA-N 3 1 345.531 3.298 20 0 EGADMP C[NH+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001208611715 1371839754 /nfs/dbraw/zinc/83/97/54/1371839754.db2.gz XGAVHKCMRZQKIY-AZUAARDMSA-N 3 1 345.531 3.298 20 0 EGADMP C[NH+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001208611715 1371839756 /nfs/dbraw/zinc/83/97/56/1371839756.db2.gz XGAVHKCMRZQKIY-AZUAARDMSA-N 3 1 345.531 3.298 20 0 EGADMP CN1CCC[C@H](C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)C1 ZINC001208611715 1371839762 /nfs/dbraw/zinc/83/97/62/1371839762.db2.gz XGAVHKCMRZQKIY-AZUAARDMSA-N 2 1 345.531 3.298 20 0 EGADMP CN1CCC[C@H](C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)C1 ZINC001208611715 1371839766 /nfs/dbraw/zinc/83/97/66/1371839766.db2.gz XGAVHKCMRZQKIY-AZUAARDMSA-N 2 1 345.531 3.298 20 0 EGADMP COc1cc(C)ccc1OC1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208614303 1371841419 /nfs/dbraw/zinc/84/14/19/1371841419.db2.gz CEOCSXHPBKDBKR-KRWDZBQOSA-N 2 1 332.488 3.189 20 0 EGADMP COC(=O)[C@H]1CC[C@H](C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001208631209 1371846891 /nfs/dbraw/zinc/84/68/91/1371846891.db2.gz RAAJNQAXWPURRP-GUDVDZBRSA-N 2 1 336.520 3.306 20 0 EGADMP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121103098 1371854899 /nfs/dbraw/zinc/85/48/99/1371854899.db2.gz RPBZMMCZHNRGRI-YDXWLCMNSA-N 2 1 347.547 3.233 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2 ZINC001121294938 1371926178 /nfs/dbraw/zinc/92/61/78/1371926178.db2.gz ITHHOESMMIGZAG-IKQKDXEZSA-N 2 1 349.563 3.314 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001121294984 1371926708 /nfs/dbraw/zinc/92/67/08/1371926708.db2.gz KHGYOIYMDABKHR-QKESWPNNSA-N 2 1 347.547 3.234 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](C[C@@H](C)C(F)(F)F)CC1 ZINC001208901950 1371938482 /nfs/dbraw/zinc/93/84/82/1371938482.db2.gz OQENPKOJZSTVFF-MRXNPFEDSA-N 2 1 337.474 3.315 20 0 EGADMP c1ccc(N2CCC(C[NH+]3CC4(C3)CC[N@@H+](CC3CC3)C4)CC2)cc1 ZINC001208907675 1371940392 /nfs/dbraw/zinc/94/03/92/1371940392.db2.gz BTQVQEMXYWSTLS-UHFFFAOYSA-N 2 1 339.527 3.321 20 0 EGADMP c1ccc(N2CCC(C[NH+]3CC4(C3)CC[N@H+](CC3CC3)C4)CC2)cc1 ZINC001208907675 1371940396 /nfs/dbraw/zinc/94/03/96/1371940396.db2.gz BTQVQEMXYWSTLS-UHFFFAOYSA-N 2 1 339.527 3.321 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC[C@H]4CCCO[C@@H]4C3)C2)cc1 ZINC001208931031 1371950757 /nfs/dbraw/zinc/95/07/57/1371950757.db2.gz GYWZGWJPPDXAPX-PWRODBHTSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC[C@H]4CCCO[C@@H]4C3)C2)cc1 ZINC001208931031 1371950761 /nfs/dbraw/zinc/95/07/61/1371950761.db2.gz GYWZGWJPPDXAPX-PWRODBHTSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CC[C@H]4CCCO[C@@H]4C3)C2)cc1 ZINC001208931031 1371950765 /nfs/dbraw/zinc/95/07/65/1371950765.db2.gz GYWZGWJPPDXAPX-PWRODBHTSA-N 2 1 328.500 3.400 20 0 EGADMP CC[N@H+](CCCC(=O)OC)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208934308 1371952125 /nfs/dbraw/zinc/95/21/25/1371952125.db2.gz ZGASZIYCBDFOBL-LJQANCHMSA-N 2 1 332.488 3.174 20 0 EGADMP CC[N@@H+](CCCC(=O)OC)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208934308 1371952127 /nfs/dbraw/zinc/95/21/27/1371952127.db2.gz ZGASZIYCBDFOBL-LJQANCHMSA-N 2 1 332.488 3.174 20 0 EGADMP CC[NH+](CCCC(=O)OC)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208934308 1371952135 /nfs/dbraw/zinc/95/21/35/1371952135.db2.gz ZGASZIYCBDFOBL-LJQANCHMSA-N 2 1 332.488 3.174 20 0 EGADMP CC[NH+](CCCC(=O)OC)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208934308 1371952139 /nfs/dbraw/zinc/95/21/39/1371952139.db2.gz ZGASZIYCBDFOBL-LJQANCHMSA-N 2 1 332.488 3.174 20 0 EGADMP Cc1nc([C@H]2CCC[N@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)no1 ZINC001208940411 1371953546 /nfs/dbraw/zinc/95/35/46/1371953546.db2.gz CUSNONQAPYHTAP-OALUTQOASA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nc([C@H]2CCC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)no1 ZINC001208940411 1371953548 /nfs/dbraw/zinc/95/35/48/1371953548.db2.gz CUSNONQAPYHTAP-OALUTQOASA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nc([C@H]2CCC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)no1 ZINC001208940411 1371953551 /nfs/dbraw/zinc/95/35/51/1371953551.db2.gz CUSNONQAPYHTAP-OALUTQOASA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nc([C@H]2CCC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)no1 ZINC001208940411 1371953552 /nfs/dbraw/zinc/95/35/52/1371953552.db2.gz CUSNONQAPYHTAP-OALUTQOASA-N 2 1 340.471 3.080 20 0 EGADMP CC(C)c1nc(CC[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)no1 ZINC001208941217 1371956028 /nfs/dbraw/zinc/95/60/28/1371956028.db2.gz JIBRSMCKSZWRID-SFHVURJKSA-N 2 1 342.487 3.189 20 0 EGADMP CC(C)c1nc(CC[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)no1 ZINC001208941217 1371956036 /nfs/dbraw/zinc/95/60/36/1371956036.db2.gz JIBRSMCKSZWRID-SFHVURJKSA-N 2 1 342.487 3.189 20 0 EGADMP CC(C)c1nc(CC[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)no1 ZINC001208941217 1371956040 /nfs/dbraw/zinc/95/60/40/1371956040.db2.gz JIBRSMCKSZWRID-SFHVURJKSA-N 2 1 342.487 3.189 20 0 EGADMP CC(C)c1nc(CC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)no1 ZINC001208941217 1371956043 /nfs/dbraw/zinc/95/60/43/1371956043.db2.gz JIBRSMCKSZWRID-SFHVURJKSA-N 2 1 342.487 3.189 20 0 EGADMP COC[C@@]12CCC[C@@H]1C[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208948050 1371958733 /nfs/dbraw/zinc/95/87/33/1371958733.db2.gz WOIOCFRAUOWQEI-HBMCJLEFSA-N 2 1 328.500 3.257 20 0 EGADMP COC[C@@]12CCC[C@@H]1C[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208948050 1371958739 /nfs/dbraw/zinc/95/87/39/1371958739.db2.gz WOIOCFRAUOWQEI-HBMCJLEFSA-N 2 1 328.500 3.257 20 0 EGADMP COC[C@@]12CCC[C@@H]1C[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208948050 1371958743 /nfs/dbraw/zinc/95/87/43/1371958743.db2.gz WOIOCFRAUOWQEI-HBMCJLEFSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@H](Oc4ccncc4)C3)C2)cc1 ZINC001208953495 1371960782 /nfs/dbraw/zinc/96/07/82/1371960782.db2.gz PXIDTPOZTDCOFH-FPOVZHCZSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@H](Oc4ccncc4)C3)C2)cc1 ZINC001208953495 1371960787 /nfs/dbraw/zinc/96/07/87/1371960787.db2.gz PXIDTPOZTDCOFH-FPOVZHCZSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@H](Oc4ccncc4)C3)C2)cc1 ZINC001208953495 1371960792 /nfs/dbraw/zinc/96/07/92/1371960792.db2.gz PXIDTPOZTDCOFH-FPOVZHCZSA-N 2 1 337.467 3.057 20 0 EGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CCOC(=O)c1ccccc1 ZINC001209046948 1371982839 /nfs/dbraw/zinc/98/28/39/1371982839.db2.gz VGCQADAJIQHRAD-OALUTQOASA-N 2 1 330.472 3.182 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CCOC(=O)c1ccccc1 ZINC001209046948 1371982841 /nfs/dbraw/zinc/98/28/41/1371982841.db2.gz VGCQADAJIQHRAD-OALUTQOASA-N 2 1 330.472 3.182 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCOC(=O)c1ccccc1 ZINC001209046948 1371982843 /nfs/dbraw/zinc/98/28/43/1371982843.db2.gz VGCQADAJIQHRAD-OALUTQOASA-N 2 1 330.472 3.182 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCOC(=O)c1ccccc1 ZINC001209046948 1371982854 /nfs/dbraw/zinc/98/28/54/1371982854.db2.gz VGCQADAJIQHRAD-OALUTQOASA-N 2 1 330.472 3.182 20 0 EGADMP CCOC(C)(C)C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001209075741 1371990966 /nfs/dbraw/zinc/99/09/66/1371990966.db2.gz WPVZXDVRTHTEQP-UHFFFAOYSA-N 2 1 331.504 3.185 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)CC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001209174398 1372024306 /nfs/dbraw/zinc/02/43/06/1372024306.db2.gz SSYWTJHZGYRVCK-QGZVFWFLSA-N 2 1 341.540 3.440 20 0 EGADMP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001121628546 1372030493 /nfs/dbraw/zinc/03/04/93/1372030493.db2.gz QEQJSMQOQHXANX-DHRSBNLGSA-N 2 1 349.563 3.170 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](CCCc4ccncc4)C[C@H]3C2)cc1 ZINC001209189271 1372032637 /nfs/dbraw/zinc/03/26/37/1372032637.db2.gz IOTBEWQOIFEFTR-VXKWHMMOSA-N 2 1 335.495 3.468 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCCc4ccncc4)C[C@H]3C2)cc1 ZINC001209189271 1372032640 /nfs/dbraw/zinc/03/26/40/1372032640.db2.gz IOTBEWQOIFEFTR-VXKWHMMOSA-N 2 1 335.495 3.468 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](CCCC1OCCO1)CC2 ZINC001209301753 1372063677 /nfs/dbraw/zinc/06/36/77/1372063677.db2.gz RMRDLCWDJFNUKO-SFHVURJKSA-N 2 1 348.487 3.109 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001121772504 1372076200 /nfs/dbraw/zinc/07/62/00/1372076200.db2.gz BTOVSTOVSWVGRC-YQTQZHKRSA-N 2 1 349.563 3.027 20 0 EGADMP COC1CCC(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001209394267 1372089935 /nfs/dbraw/zinc/08/99/35/1372089935.db2.gz YIMXBKPILTVTNY-QLOLRVAOSA-N 2 1 334.529 3.317 20 0 EGADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](C[C@H]4C[C@@H]4C)CC3)C2)c1 ZINC001209415460 1372099600 /nfs/dbraw/zinc/09/96/00/1372099600.db2.gz ORCNRYLIVQJFHH-PKOBYXMFSA-N 2 1 344.499 3.018 20 0 EGADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](C[C@H]4C[C@@H]4C)CC3)C2)c1 ZINC001209415460 1372099606 /nfs/dbraw/zinc/09/96/06/1372099606.db2.gz ORCNRYLIVQJFHH-PKOBYXMFSA-N 2 1 344.499 3.018 20 0 EGADMP CC(C)CC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001121848199 1372100883 /nfs/dbraw/zinc/10/08/83/1372100883.db2.gz IPNRUPSLGVMBDT-UHFFFAOYSA-N 2 1 346.519 3.070 20 0 EGADMP OC1(c2ccc(Cl)cc2)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC001209447756 1372108011 /nfs/dbraw/zinc/10/80/11/1372108011.db2.gz GFODSHPIOAZPHB-UHFFFAOYSA-N 2 1 336.907 3.499 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CCCN(CCC[NH+]4CCCCC4)[C@H]3C2)cc1 ZINC001209451014 1372109422 /nfs/dbraw/zinc/10/94/22/1372109422.db2.gz YNOQYKZEBDEPFN-YADHBBJMSA-N 2 1 341.543 3.459 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC=C(C)C)C2 ZINC001121919050 1372122928 /nfs/dbraw/zinc/12/29/28/1372122928.db2.gz PIEYXICXTOFGDV-UHFFFAOYSA-N 2 1 349.563 3.482 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001209688531 1372170190 /nfs/dbraw/zinc/17/01/90/1372170190.db2.gz CYBSGKBUGBJULD-PKOBYXMFSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CCC1CCCCC1)C2 ZINC001122107058 1372176305 /nfs/dbraw/zinc/17/63/05/1372176305.db2.gz ZDZSXVXDWWFSBA-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(Cc3cnccn3)C[C@H]21 ZINC001209780768 1372195615 /nfs/dbraw/zinc/19/56/15/1372195615.db2.gz DLRPNNNQXPWPQN-ATZDWAIDSA-N 2 1 342.512 3.271 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209954237 1372240469 /nfs/dbraw/zinc/24/04/69/1372240469.db2.gz WBFZUOLJOBMXIN-ASIGSXEYSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001209951888 1372240583 /nfs/dbraw/zinc/24/05/83/1372240583.db2.gz OGCIYWLNTDWIAS-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP [NH3+]CCN1CC[NH+](Cc2ccccc2Oc2cccc(Cl)c2)CC1 ZINC001209976684 1372246493 /nfs/dbraw/zinc/24/64/93/1372246493.db2.gz YZJCVJMIOFSBHF-UHFFFAOYSA-N 2 1 345.874 3.209 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001210132795 1372277317 /nfs/dbraw/zinc/27/73/17/1372277317.db2.gz ISTRZTDSUOTDMF-HKUYNNGSSA-N 2 1 348.535 3.235 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210213869 1372295407 /nfs/dbraw/zinc/29/54/07/1372295407.db2.gz PDVKPTNXEMYMND-QFUCXCTJSA-N 2 1 345.531 3.090 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210213869 1372295410 /nfs/dbraw/zinc/29/54/10/1372295410.db2.gz PDVKPTNXEMYMND-QFUCXCTJSA-N 2 1 345.531 3.090 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001210236275 1372300858 /nfs/dbraw/zinc/30/08/58/1372300858.db2.gz LPWWQVGADQTLIV-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001210493278 1372366068 /nfs/dbraw/zinc/36/60/68/1372366068.db2.gz KUEAIKBTNGGQFY-FQEVSTJZSA-N 2 1 345.531 3.232 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001210493466 1372366191 /nfs/dbraw/zinc/36/61/91/1372366191.db2.gz LOKONMVYDSGOHI-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP COC(=O)c1cccc2[nH+]cc(NC3=CC[C@@H]([NH+]4CCCC4)CC3)n21 ZINC001210707386 1372410686 /nfs/dbraw/zinc/41/06/86/1372410686.db2.gz XFBWCCDMXBWYOH-OAHLLOKOSA-N 2 1 340.427 3.065 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001210790158 1372427025 /nfs/dbraw/zinc/42/70/25/1372427025.db2.gz VJNBAPBFHQVRKU-FQEVSTJZSA-N 2 1 345.531 3.232 20 0 EGADMP C[NH2+]Cc1ccc(Nc2cccc(F)c2N2CC[NH+](C)CC2)cc1 ZINC001211135204 1372488920 /nfs/dbraw/zinc/48/89/20/1372488920.db2.gz MEACIRGNJZLIPG-UHFFFAOYSA-N 2 1 328.435 3.041 20 0 EGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211267779 1372516835 /nfs/dbraw/zinc/51/68/35/1372516835.db2.gz CMLYDCMKMWHQOI-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CC(C)c1ccccc1C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211283584 1372520400 /nfs/dbraw/zinc/52/04/00/1372520400.db2.gz GYKXEWOJXJPPBM-IBGZPJMESA-N 2 1 345.531 3.231 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211448110 1372561029 /nfs/dbraw/zinc/56/10/29/1372561029.db2.gz YZWLCMATRUIPSD-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211448110 1372561031 /nfs/dbraw/zinc/56/10/31/1372561031.db2.gz YZWLCMATRUIPSD-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001211448110 1372561036 /nfs/dbraw/zinc/56/10/36/1372561036.db2.gz YZWLCMATRUIPSD-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001211448110 1372561037 /nfs/dbraw/zinc/56/10/37/1372561037.db2.gz YZWLCMATRUIPSD-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855883 1373130404 /nfs/dbraw/zinc/13/04/04/1373130404.db2.gz QLNLQOXGTJTVKP-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C)c1ccccc1 ZINC001214990359 1373152523 /nfs/dbraw/zinc/15/25/23/1373152523.db2.gz LYJCGPCIBMQNIL-NZSAHSFTSA-N 2 1 345.531 3.305 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+][C@H](C)c1ccccc1F ZINC001127680145 1373159164 /nfs/dbraw/zinc/15/91/64/1373159164.db2.gz SMZUUGCFGYRSOP-HUUCEWRRSA-N 2 1 346.450 3.003 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001128779733 1373310230 /nfs/dbraw/zinc/31/02/30/1373310230.db2.gz XAJSIDWKNGBREM-XLIONFOSSA-N 2 1 345.531 3.451 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001216844603 1373350141 /nfs/dbraw/zinc/35/01/41/1373350141.db2.gz GTYDKEZKIXPASY-KZNAEPCWSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH2+][C@H](c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1)C(C)(C)C ZINC001217737195 1373497131 /nfs/dbraw/zinc/49/71/31/1373497131.db2.gz UPKOJODOYUMZKX-JKSUJKDBSA-N 2 1 328.460 3.366 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CO[C@H]3CCC[C@@]34CC[NH2+]C4)C2)cc1 ZINC001217803115 1373502199 /nfs/dbraw/zinc/50/21/99/1373502199.db2.gz PNRIDVGEHOMYEA-ACRUOGEOSA-N 2 1 328.500 3.447 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)c1ccccc1F ZINC001130622368 1373571001 /nfs/dbraw/zinc/57/10/01/1373571001.db2.gz FSFZYXAXGZXWEJ-HNNXBMFYSA-N 2 1 349.494 3.246 20 0 EGADMP Cc1cc(NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)cn2cc[nH+]c12 ZINC001218783317 1373654978 /nfs/dbraw/zinc/65/49/78/1373654978.db2.gz RQIQKOVWQNSOCU-INIZCTEOSA-N 2 1 343.475 3.275 20 0 EGADMP CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001218846655 1373660148 /nfs/dbraw/zinc/66/01/48/1373660148.db2.gz AFTOCGNTBXFSAT-HXUWFJFHSA-N 2 1 349.478 3.387 20 0 EGADMP CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001218846655 1373660153 /nfs/dbraw/zinc/66/01/53/1373660153.db2.gz AFTOCGNTBXFSAT-HXUWFJFHSA-N 2 1 349.478 3.387 20 0 EGADMP C[N@H+](Cc1ccccc1NC(=O)[C@@H]1COC(C)(C)[NH2+]1)C1CCCCC1 ZINC001219024481 1373680637 /nfs/dbraw/zinc/68/06/37/1373680637.db2.gz ZGLQALYBAOYVPV-SFHVURJKSA-N 2 1 345.487 3.114 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1COC(C)(C)[NH2+]1)C1CCCCC1 ZINC001219024481 1373680641 /nfs/dbraw/zinc/68/06/41/1373680641.db2.gz ZGLQALYBAOYVPV-SFHVURJKSA-N 2 1 345.487 3.114 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001221870972 1373801014 /nfs/dbraw/zinc/80/10/14/1373801014.db2.gz PYNIIKYGGAFKCC-WOJBJXKFSA-N 2 1 343.515 3.085 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCNC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC001131815407 1373818591 /nfs/dbraw/zinc/81/85/91/1373818591.db2.gz BQIFWYJTRFFNNM-UHFFFAOYSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC3CCCCC3)[C@H]2C1 ZINC001223972570 1375050732 /nfs/dbraw/zinc/05/07/32/1375050732.db2.gz YMMBDCPSKHOXQL-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC3CCCCC3)[C@H]2C1 ZINC001223972570 1375050736 /nfs/dbraw/zinc/05/07/36/1375050736.db2.gz YMMBDCPSKHOXQL-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC3CCCCC3)[C@H]2C1 ZINC001223972570 1375050739 /nfs/dbraw/zinc/05/07/39/1375050739.db2.gz YMMBDCPSKHOXQL-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188663751 1388355687 /nfs/dbraw/zinc/35/56/87/1388355687.db2.gz BKMYQRXMCHFSSN-WSTZPKSXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188663751 1388355692 /nfs/dbraw/zinc/35/56/92/1388355692.db2.gz BKMYQRXMCHFSSN-WSTZPKSXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188663751 1388355698 /nfs/dbraw/zinc/35/56/98/1388355698.db2.gz BKMYQRXMCHFSSN-WSTZPKSXSA-N 2 1 349.563 3.220 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](OCCC[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001224746368 1375074083 /nfs/dbraw/zinc/07/40/83/1375074083.db2.gz APQZZUDVHCYKRX-HBMCJLEFSA-N 2 1 328.500 3.400 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)CC[C@H]2C)cs1 ZINC001132105343 1375150685 /nfs/dbraw/zinc/15/06/85/1375150685.db2.gz FPQOFGYYFQTRIJ-PBHICJAKSA-N 2 1 349.544 3.010 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCC1=CCCCC1 ZINC001132106796 1375151230 /nfs/dbraw/zinc/15/12/30/1375151230.db2.gz VKDWQEXYDWZUSW-PKOBYXMFSA-N 2 1 347.547 3.330 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132157658 1375175852 /nfs/dbraw/zinc/17/58/52/1375175852.db2.gz RVXQZPOLATXALT-WMZOPIPTSA-N 2 1 342.487 3.497 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@H+]1CCC1CC1 ZINC001132203375 1375207344 /nfs/dbraw/zinc/20/73/44/1375207344.db2.gz PHDWPBACOYUPKP-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132207843 1375210522 /nfs/dbraw/zinc/21/05/22/1375210522.db2.gz XSPASZDSZLUYBO-MSOLQXFVSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132207843 1375210527 /nfs/dbraw/zinc/21/05/27/1375210527.db2.gz XSPASZDSZLUYBO-MSOLQXFVSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132207843 1375210531 /nfs/dbraw/zinc/21/05/31/1375210531.db2.gz XSPASZDSZLUYBO-MSOLQXFVSA-N 2 1 337.552 3.410 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001132214966 1375213648 /nfs/dbraw/zinc/21/36/48/1375213648.db2.gz PQXQVGSZMWLFGR-ZGKJDNBHSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)c1ccc(C[N@H+]2C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)cc1 ZINC001132274474 1375259835 /nfs/dbraw/zinc/25/98/35/1375259835.db2.gz UVPVJIYMZLFWCU-FXAWDEMLSA-N 2 1 345.531 3.231 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)Cn2ccnc2C(C)C)CC[C@H]1C ZINC001132330207 1375308956 /nfs/dbraw/zinc/30/89/56/1375308956.db2.gz CHGZMWNJDOIMLM-IKSUFZCESA-N 2 1 346.519 3.332 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132330207 1375308961 /nfs/dbraw/zinc/30/89/61/1375308961.db2.gz CHGZMWNJDOIMLM-IKSUFZCESA-N 2 1 346.519 3.332 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132330207 1375308967 /nfs/dbraw/zinc/30/89/67/1375308967.db2.gz CHGZMWNJDOIMLM-IKSUFZCESA-N 2 1 346.519 3.332 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC(C)(C)C)C1 ZINC001132365313 1375330422 /nfs/dbraw/zinc/33/04/22/1375330422.db2.gz JBFOZAGELZPCFO-WMZOPIPTSA-N 2 1 348.535 3.377 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001132365313 1375330427 /nfs/dbraw/zinc/33/04/27/1375330427.db2.gz JBFOZAGELZPCFO-WMZOPIPTSA-N 2 1 348.535 3.377 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132377019 1375337883 /nfs/dbraw/zinc/33/78/83/1375337883.db2.gz SOLQWNIPJDOROA-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCc1cccc(C[N@H+]2C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]2C)c1 ZINC001132376146 1375338315 /nfs/dbraw/zinc/33/83/15/1375338315.db2.gz KDYVNDYVBCRNTQ-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001226890421 1375353147 /nfs/dbraw/zinc/35/31/47/1375353147.db2.gz NHXIEKXSJUCRPR-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132409647 1375358275 /nfs/dbraw/zinc/35/82/75/1375358275.db2.gz CIIJJGSHRLWEJL-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCC(C)(C)C)C1 ZINC001132409647 1375358281 /nfs/dbraw/zinc/35/82/81/1375358281.db2.gz CIIJJGSHRLWEJL-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC(C)(C)C)C1 ZINC001132409647 1375358282 /nfs/dbraw/zinc/35/82/82/1375358282.db2.gz CIIJJGSHRLWEJL-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CC2)C1 ZINC001132420284 1375367666 /nfs/dbraw/zinc/36/76/66/1375367666.db2.gz PZJIRFJQJYPKMV-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CC(C)(C)C2)C1 ZINC001132435780 1375379539 /nfs/dbraw/zinc/37/95/39/1375379539.db2.gz GTKVANBBMYCVPZ-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CC(C)(C)C2)C1 ZINC001132435780 1375379546 /nfs/dbraw/zinc/37/95/46/1375379546.db2.gz GTKVANBBMYCVPZ-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CC(C)(C)C2)C1 ZINC001132435780 1375379551 /nfs/dbraw/zinc/37/95/51/1375379551.db2.gz GTKVANBBMYCVPZ-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132435498 1375380459 /nfs/dbraw/zinc/38/04/59/1375380459.db2.gz FAUKITVBZZVIKR-ROUUACIJSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001132435498 1375380465 /nfs/dbraw/zinc/38/04/65/1375380465.db2.gz FAUKITVBZZVIKR-ROUUACIJSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132435498 1375380473 /nfs/dbraw/zinc/38/04/73/1375380473.db2.gz FAUKITVBZZVIKR-ROUUACIJSA-N 2 1 325.541 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CCCCC2)C1 ZINC001132436370 1375381250 /nfs/dbraw/zinc/38/12/50/1375381250.db2.gz KWUZXQUIOXJTOQ-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCCCC2)C1 ZINC001132436370 1375381251 /nfs/dbraw/zinc/38/12/51/1375381251.db2.gz KWUZXQUIOXJTOQ-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CCCCC2)C1 ZINC001132436370 1375381256 /nfs/dbraw/zinc/38/12/56/1375381256.db2.gz KWUZXQUIOXJTOQ-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCCC(C)C)C1 ZINC001132436533 1375381824 /nfs/dbraw/zinc/38/18/24/1375381824.db2.gz LWORHLYFTQZAFM-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCC(C)C)C1 ZINC001132436533 1375381832 /nfs/dbraw/zinc/38/18/32/1375381832.db2.gz LWORHLYFTQZAFM-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC(C)C)C1 ZINC001132436533 1375381834 /nfs/dbraw/zinc/38/18/34/1375381834.db2.gz LWORHLYFTQZAFM-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CCCC(C)C)C1 ZINC001132436535 1375381848 /nfs/dbraw/zinc/38/18/48/1375381848.db2.gz LWORHLYFTQZAFM-ZWKOTPCHSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCC(C)C)C1 ZINC001132436535 1375381851 /nfs/dbraw/zinc/38/18/51/1375381851.db2.gz LWORHLYFTQZAFM-ZWKOTPCHSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC(C)C)C1 ZINC001132436535 1375381857 /nfs/dbraw/zinc/38/18/57/1375381857.db2.gz LWORHLYFTQZAFM-ZWKOTPCHSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccccc2CC)C1 ZINC001132440559 1375385595 /nfs/dbraw/zinc/38/55/95/1375385595.db2.gz CIBUAHHMCZLDEE-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2CC)C1 ZINC001132440559 1375385598 /nfs/dbraw/zinc/38/55/98/1375385598.db2.gz CIBUAHHMCZLDEE-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2CC)C1 ZINC001132440559 1375385602 /nfs/dbraw/zinc/38/56/02/1375385602.db2.gz CIBUAHHMCZLDEE-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCCC(C)(C)C)C1 ZINC001132442228 1375386805 /nfs/dbraw/zinc/38/68/05/1375386805.db2.gz XMNAYMFBUAZRTD-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCC(C)(C)C)C1 ZINC001132442228 1375386810 /nfs/dbraw/zinc/38/68/10/1375386810.db2.gz XMNAYMFBUAZRTD-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC(C)(C)C)C1 ZINC001132442228 1375386817 /nfs/dbraw/zinc/38/68/17/1375386817.db2.gz XMNAYMFBUAZRTD-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CC1CC(C)(C)C1 ZINC001132517423 1375435761 /nfs/dbraw/zinc/43/57/61/1375435761.db2.gz CCQYMRLRVDCLQI-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CC1CCCC1 ZINC001132526222 1375442443 /nfs/dbraw/zinc/44/24/43/1375442443.db2.gz ZJENHCRLSIHKCB-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001227791334 1375475008 /nfs/dbraw/zinc/47/50/08/1375475008.db2.gz CDRUJCGQOHSYFC-FUHWJXTLSA-N 2 1 346.519 3.023 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NC1CC[NH+](CCCC2CCC2)CC1 ZINC001227877782 1375485904 /nfs/dbraw/zinc/48/59/04/1375485904.db2.gz YXBOFCUNEQTRMN-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC(C)C)C1 ZINC001228138718 1375520071 /nfs/dbraw/zinc/52/00/71/1375520071.db2.gz WWPDMDWVDQZGIO-IPMKNSEASA-N 2 1 337.552 3.172 20 0 EGADMP O=C(NCC[NH2+]CCC1CCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132795079 1375568821 /nfs/dbraw/zinc/56/88/21/1375568821.db2.gz NFDOOYSCWFYBOA-LJQANCHMSA-N 2 1 335.536 3.070 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001228604055 1375612432 /nfs/dbraw/zinc/61/24/32/1375612432.db2.gz WQWOJBBJRBOPFK-UWCDRFHNSA-N 2 1 335.536 3.092 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001228618252 1375619150 /nfs/dbraw/zinc/61/91/50/1375619150.db2.gz HNNIKNUFVIRAEX-OSFIAYCASA-N 2 1 335.536 3.092 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132936675 1375656662 /nfs/dbraw/zinc/65/66/62/1375656662.db2.gz CXKWLPBMAAUZCC-ZWKOTPCHSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001132936900 1375656880 /nfs/dbraw/zinc/65/68/80/1375656880.db2.gz FEZCLTHVYWOCFE-MJGOQNOKSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1CC ZINC001229859939 1375905498 /nfs/dbraw/zinc/90/54/98/1375905498.db2.gz IQWCGSYXYIFZBU-WOJBJXKFSA-N 2 1 345.531 3.108 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C)cccc1C ZINC001229859747 1375905989 /nfs/dbraw/zinc/90/59/89/1375905989.db2.gz DEPVIQDHQJDYCG-WOJBJXKFSA-N 2 1 345.531 3.162 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001133314499 1375916549 /nfs/dbraw/zinc/91/65/49/1375916549.db2.gz NMTPOSHWOIOUKL-WAQVGJNASA-N 2 1 346.519 3.012 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133347210 1375936063 /nfs/dbraw/zinc/93/60/63/1375936063.db2.gz UVLBTVAUCDZIPY-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC(NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001230052818 1375936993 /nfs/dbraw/zinc/93/69/93/1375936993.db2.gz LXFQDNXTNNSBKZ-MRXNPFEDSA-N 2 1 346.519 3.024 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)C ZINC001230274710 1375981253 /nfs/dbraw/zinc/98/12/53/1375981253.db2.gz HAZSLSLBPJWNML-GUDVDZBRSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001230286768 1375984506 /nfs/dbraw/zinc/98/45/06/1375984506.db2.gz SREOUTSXCMBBIP-VAMGGRTRSA-N 2 1 345.531 3.352 20 0 EGADMP CCC(CC)C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001230374468 1376009490 /nfs/dbraw/zinc/00/94/90/1376009490.db2.gz YLWLNKSHGOJBTL-HXUWFJFHSA-N 2 1 345.531 3.306 20 0 EGADMP Nc1[nH]c2ccc(O[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cc2[nH+]1 ZINC001230515297 1376049450 /nfs/dbraw/zinc/04/94/50/1376049450.db2.gz ADKSGJQMNADJJP-XAUMDUMWSA-N 2 1 348.450 3.435 20 0 EGADMP Nc1[nH]c2cc(O[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ccc2[nH+]1 ZINC001230515297 1376049462 /nfs/dbraw/zinc/04/94/62/1376049462.db2.gz ADKSGJQMNADJJP-XAUMDUMWSA-N 2 1 348.450 3.435 20 0 EGADMP Nc1[nH]c2cc(O[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ccc2[nH+]1 ZINC001230515297 1376049483 /nfs/dbraw/zinc/04/94/83/1376049483.db2.gz ADKSGJQMNADJJP-XAUMDUMWSA-N 2 1 348.450 3.435 20 0 EGADMP CCCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001230537432 1376061313 /nfs/dbraw/zinc/06/13/13/1376061313.db2.gz GKZAMOVHULPOEG-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001230537432 1376061317 /nfs/dbraw/zinc/06/13/17/1376061317.db2.gz GKZAMOVHULPOEG-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001230537432 1376061323 /nfs/dbraw/zinc/06/13/23/1376061323.db2.gz GKZAMOVHULPOEG-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592001 1376089562 /nfs/dbraw/zinc/08/95/62/1376089562.db2.gz OXJIFPBDAXFHSO-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CC2)CC1)[NH+](CC)CC ZINC001230598256 1376092536 /nfs/dbraw/zinc/09/25/36/1376092536.db2.gz JEHDFUDFDPQRLH-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001230598364 1376093132 /nfs/dbraw/zinc/09/31/32/1376093132.db2.gz MFPQNMOHJVXCQM-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001230598364 1376093137 /nfs/dbraw/zinc/09/31/37/1376093137.db2.gz MFPQNMOHJVXCQM-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@H+]2CCCC2CCC2)CC1 ZINC001230598522 1376093980 /nfs/dbraw/zinc/09/39/80/1376093980.db2.gz REGDKJGPYJWLED-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001230617561 1376103667 /nfs/dbraw/zinc/10/36/67/1376103667.db2.gz CQYHWVAWDOKQQF-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230617561 1376103670 /nfs/dbraw/zinc/10/36/70/1376103670.db2.gz CQYHWVAWDOKQQF-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230617561 1376103675 /nfs/dbraw/zinc/10/36/75/1376103675.db2.gz CQYHWVAWDOKQQF-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230631036 1376108660 /nfs/dbraw/zinc/10/86/60/1376108660.db2.gz WZBJRWRCEHVVJN-YJJPMGAVSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001230631036 1376108661 /nfs/dbraw/zinc/10/86/61/1376108661.db2.gz WZBJRWRCEHVVJN-YJJPMGAVSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230631036 1376108662 /nfs/dbraw/zinc/10/86/62/1376108662.db2.gz WZBJRWRCEHVVJN-YJJPMGAVSA-N 2 1 349.563 3.386 20 0 EGADMP CC[C@H]([NH2+]CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC001133856929 1376235949 /nfs/dbraw/zinc/23/59/49/1376235949.db2.gz WCVZCKCNCMGWGK-PXNSSMCTSA-N 2 1 349.494 3.056 20 0 EGADMP c1c2c[nH+]ccc2[nH]c1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001232014105 1376381434 /nfs/dbraw/zinc/38/14/34/1376381434.db2.gz KFIGMFINCPCGAD-LAUBAEHRSA-N 2 1 332.451 3.269 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cnsc3)C[C@@H]21 ZINC001232228144 1376419773 /nfs/dbraw/zinc/41/97/73/1376419773.db2.gz MRHPNSXVIMQXCF-YTQUADARSA-N 2 1 342.512 3.271 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2c1cccc2C(=O)OC ZINC001232711474 1376508007 /nfs/dbraw/zinc/50/80/07/1376508007.db2.gz OXQJDHSRVINKHX-UHFFFAOYSA-N 2 1 331.460 3.118 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(Cc3ccc(C(F)(F)F)nc3Cl)C[C@@H]2C1 ZINC001232791124 1376514264 /nfs/dbraw/zinc/51/42/64/1376514264.db2.gz IVANBHZHQHEILR-PWSUYJOCSA-N 2 1 333.785 3.137 20 0 EGADMP CCc1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134606759 1376620950 /nfs/dbraw/zinc/62/09/50/1376620950.db2.gz ALYFJFODUXXOQQ-IRXDYDNUSA-N 2 1 345.531 3.106 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612336 1376624546 /nfs/dbraw/zinc/62/45/46/1376624546.db2.gz LEIGEVOBXJMBMW-IRXDYDNUSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+]CC1CCCCCC1 ZINC001134723857 1376679003 /nfs/dbraw/zinc/67/90/03/1376679003.db2.gz ZFSWQXUBGHWSGM-UHFFFAOYSA-N 2 1 334.508 3.073 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC001134725593 1376679080 /nfs/dbraw/zinc/67/90/80/1376679080.db2.gz GWWLTQCEIGEVBO-MSOLQXFVSA-N 2 1 348.535 3.319 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)CCn2cc[nH+]c2C(C)C)c1 ZINC001134725439 1376679123 /nfs/dbraw/zinc/67/91/23/1376679123.db2.gz CVMXPVYXDMJROD-QGZVFWFLSA-N 2 1 342.487 3.172 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C ZINC001134773140 1376713534 /nfs/dbraw/zinc/71/35/34/1376713534.db2.gz LSHCMHADIJVRGC-SJORKVTESA-N 2 1 333.520 3.098 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)[NH2+]C/C=C\Cl ZINC001134790398 1376722866 /nfs/dbraw/zinc/72/28/66/1376722866.db2.gz BUTCQIMIPRTQNF-DLTMEVEPSA-N 2 1 343.943 3.265 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC(C)(C)C ZINC001234215690 1376787305 /nfs/dbraw/zinc/78/73/05/1376787305.db2.gz OPEUMGBAIJJZRR-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC(C)(C)C ZINC001234215690 1376787307 /nfs/dbraw/zinc/78/73/07/1376787307.db2.gz OPEUMGBAIJJZRR-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC(C)(C)C ZINC001234215690 1376787312 /nfs/dbraw/zinc/78/73/12/1376787312.db2.gz OPEUMGBAIJJZRR-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP COc1ccccc1N(C)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235033079 1376832726 /nfs/dbraw/zinc/83/27/26/1376832726.db2.gz SULBLXYJPORAQO-PKOBYXMFSA-N 2 1 337.467 3.257 20 0 EGADMP COc1ccccc1N(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235033079 1376832732 /nfs/dbraw/zinc/83/27/32/1376832732.db2.gz SULBLXYJPORAQO-PKOBYXMFSA-N 2 1 337.467 3.257 20 0 EGADMP Cc1ccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235035745 1376834049 /nfs/dbraw/zinc/83/40/49/1376834049.db2.gz HQQAWMGHNOHRDB-FGZHOGPDSA-N 2 1 336.479 3.472 20 0 EGADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235043776 1376840494 /nfs/dbraw/zinc/84/04/94/1376840494.db2.gz HEFSDKVTOYFGEM-IBGZPJMESA-N 3 1 348.560 3.027 20 0 EGADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235043776 1376840498 /nfs/dbraw/zinc/84/04/98/1376840498.db2.gz HEFSDKVTOYFGEM-IBGZPJMESA-N 3 1 348.560 3.027 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135021685 1376851690 /nfs/dbraw/zinc/85/16/90/1376851690.db2.gz RRJDBDHIQPEJII-HOTGVXAUSA-N 2 1 348.535 3.071 20 0 EGADMP COc1cc(C)cc(OC)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431115 1376872105 /nfs/dbraw/zinc/87/21/05/1376872105.db2.gz UYMCIABGDCCWKK-DLBZAZTESA-N 2 1 332.488 3.224 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135102301 1376899137 /nfs/dbraw/zinc/89/91/37/1376899137.db2.gz CBKIXDLAHVORMI-ICSRJNTNSA-N 2 1 343.515 3.033 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135102300 1376899950 /nfs/dbraw/zinc/89/99/50/1376899950.db2.gz CBKIXDLAHVORMI-AZUAARDMSA-N 2 1 343.515 3.033 20 0 EGADMP [NH3+]C1CN([C@@H]2CCC[N@@H+](Cc3ccccc3-c3cccs3)C2)C1 ZINC001236077480 1376931880 /nfs/dbraw/zinc/93/18/80/1376931880.db2.gz IDEWMDSENNQUON-QGZVFWFLSA-N 2 1 327.497 3.022 20 0 EGADMP [NH3+]C12CC(CC[N@H+](Cc3ccccc3Cl)C3CC[NH2+]CC3)(C1)C2 ZINC001236450262 1376953828 /nfs/dbraw/zinc/95/38/28/1376953828.db2.gz GCWAZOJCLCYXLK-UHFFFAOYSA-N 3 1 333.907 3.166 20 0 EGADMP [NH3+]C12CC(CC[N@@H+](Cc3ccccc3Cl)C3CC[NH2+]CC3)(C1)C2 ZINC001236450262 1376953830 /nfs/dbraw/zinc/95/38/30/1376953830.db2.gz GCWAZOJCLCYXLK-UHFFFAOYSA-N 3 1 333.907 3.166 20 0 EGADMP CCC[N@@H+](Cc1c(Cl)c2ccccc2[nH]c1=O)C[C@H]1CC[NH2+]C1 ZINC001236844084 1376965531 /nfs/dbraw/zinc/96/55/31/1376965531.db2.gz SQHIRRAKFRJTMY-ZDUSSCGKSA-N 2 1 333.863 3.415 20 0 EGADMP CCC[N@H+](Cc1c(Cl)c2ccccc2[nH]c1=O)C[C@H]1CC[NH2+]C1 ZINC001236844084 1376965537 /nfs/dbraw/zinc/96/55/37/1376965537.db2.gz SQHIRRAKFRJTMY-ZDUSSCGKSA-N 2 1 333.863 3.415 20 0 EGADMP CCC[N@@H+](Cc1ccc(-n2ccnc2)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236844498 1376965593 /nfs/dbraw/zinc/96/55/93/1376965593.db2.gz VHIIWQKZBDUUFH-HNNXBMFYSA-N 2 1 332.879 3.347 20 0 EGADMP CCC[N@H+](Cc1ccc(-n2ccnc2)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236844498 1376965599 /nfs/dbraw/zinc/96/55/99/1376965599.db2.gz VHIIWQKZBDUUFH-HNNXBMFYSA-N 2 1 332.879 3.347 20 0 EGADMP CCC[N@@H+](Cc1ccc(O)cc1OC(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236844062 1376966414 /nfs/dbraw/zinc/96/64/14/1376966414.db2.gz SMDOPXDDUDGNHH-GFCCVEGCSA-N 2 1 332.366 3.112 20 0 EGADMP CCC[N@H+](Cc1ccc(O)cc1OC(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236844062 1376966418 /nfs/dbraw/zinc/96/64/18/1376966418.db2.gz SMDOPXDDUDGNHH-GFCCVEGCSA-N 2 1 332.366 3.112 20 0 EGADMP Fc1ccc(-c2cccc(C[N@H+]3CC[C@@]4(C3)CNCCO4)c2)c(F)c1 ZINC001237140912 1376976313 /nfs/dbraw/zinc/97/63/13/1376976313.db2.gz CJLWOXVXMWUHRQ-FQEVSTJZSA-N 2 1 344.405 3.196 20 0 EGADMP Fc1ccc(-c2cccc(CN3CC[C@@]4(C3)C[NH2+]CCO4)c2)c(F)c1 ZINC001237140912 1376976316 /nfs/dbraw/zinc/97/63/16/1376976316.db2.gz CJLWOXVXMWUHRQ-FQEVSTJZSA-N 2 1 344.405 3.196 20 0 EGADMP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@@]1(CCO)CC[NH2+]C1 ZINC001246296463 1377051179 /nfs/dbraw/zinc/05/11/79/1377051179.db2.gz ROCCBCVUXUZTHY-MLGOLLRUSA-N 2 1 331.287 3.019 20 0 EGADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246545618 1377052113 /nfs/dbraw/zinc/05/21/13/1377052113.db2.gz WHTCKNZBRCMCJP-SJCJKPOMSA-N 2 1 346.849 3.115 20 0 EGADMP c1ccc(OC[C@@]23CCC[C@@H]2C[N@H+]([C@@H]2C[C@H]4CCC[C@@H](C2)[NH2+]4)C3)nc1 ZINC001246725098 1377053555 /nfs/dbraw/zinc/05/35/55/1377053555.db2.gz OGVIXKLTMSWIAS-YRIDSSQKSA-N 2 1 341.499 3.236 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N(Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1)C2 ZINC001246938179 1377056432 /nfs/dbraw/zinc/05/64/32/1377056432.db2.gz RQOZHPIPTSYJJB-PLACYPQZSA-N 2 1 345.506 3.395 20 0 EGADMP O[C@]1(CNc2cccc3ccncc32)CC[N@@H+](Cc2ccccc2)C1 ZINC001252935006 1377093808 /nfs/dbraw/zinc/09/38/08/1377093808.db2.gz ASYQKFISXFJPAX-NRFANRHFSA-N 2 1 333.435 3.284 20 0 EGADMP O[C@]1(CNc2cccc3cc[nH+]cc32)CC[N@H+](Cc2ccccc2)C1 ZINC001252935006 1377093810 /nfs/dbraw/zinc/09/38/10/1377093810.db2.gz ASYQKFISXFJPAX-NRFANRHFSA-N 2 1 333.435 3.284 20 0 EGADMP O[C@]1(CNc2cccc3cc[nH+]cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC001252935006 1377093814 /nfs/dbraw/zinc/09/38/14/1377093814.db2.gz ASYQKFISXFJPAX-NRFANRHFSA-N 2 1 333.435 3.284 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1c(C)cc(C)cc1C ZINC001135437847 1377097696 /nfs/dbraw/zinc/09/76/96/1377097696.db2.gz YZCWLXGVDVBLHD-UHFFFAOYSA-N 2 1 347.547 3.330 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CCCc1ccccc1C ZINC001135441093 1377099662 /nfs/dbraw/zinc/09/96/62/1377099662.db2.gz ZAFGGDADEMULHP-UHFFFAOYSA-N 2 1 347.547 3.146 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC001254509347 1377105368 /nfs/dbraw/zinc/10/53/68/1377105368.db2.gz ZSHKFIRGGDMRAQ-IRXDYDNUSA-N 2 1 337.305 3.380 20 0 EGADMP Cc1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135468437 1377107617 /nfs/dbraw/zinc/10/76/17/1377107617.db2.gz PLIAQQOIVHLSMU-QZTJIDSGSA-N 2 1 345.531 3.100 20 0 EGADMP Cc1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135476370 1377110536 /nfs/dbraw/zinc/11/05/36/1377110536.db2.gz KBWJOVXNTKROOR-ROUUACIJSA-N 2 1 347.547 3.346 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]Cc1ccsc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135482057 1377114315 /nfs/dbraw/zinc/11/43/15/1377114315.db2.gz ZZAOROZXSGNNBP-LSDHHAIUSA-N 2 1 339.549 3.099 20 0 EGADMP CC(C)CC(CC(C)C)[N@@H+]1CCc2ncc(Cn3cccn3)n2CC1 ZINC001258835456 1377119621 /nfs/dbraw/zinc/11/96/21/1377119621.db2.gz YJORDZYHNFGMLZ-UHFFFAOYSA-N 2 1 343.519 3.447 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccsc1 ZINC001135584264 1377155098 /nfs/dbraw/zinc/15/50/98/1377155098.db2.gz MFMNKCIBRDMCPD-GJZGRUSLSA-N 2 1 348.516 3.141 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC001135583651 1377155120 /nfs/dbraw/zinc/15/51/20/1377155120.db2.gz BYHWSNPDWGNEDR-SJORKVTESA-N 2 1 348.535 3.460 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(C)(C)C ZINC001135583780 1377155254 /nfs/dbraw/zinc/15/52/54/1377155254.db2.gz FLKKTTBSWDHFPF-CVEARBPZSA-N 2 1 336.524 3.316 20 0 EGADMP CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135585940 1377155330 /nfs/dbraw/zinc/15/53/30/1377155330.db2.gz UWODCWYXFOOPSO-PMKBXARWSA-N 2 1 334.508 3.236 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCCC1 ZINC001135586068 1377155369 /nfs/dbraw/zinc/15/53/69/1377155369.db2.gz WFBVIGRSQBVMIX-HOTGVXAUSA-N 2 1 334.508 3.070 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC1 ZINC001135601441 1377159341 /nfs/dbraw/zinc/15/93/41/1377159341.db2.gz UKCLJUPIWXWEEG-JKSUJKDBSA-N 2 1 334.508 3.070 20 0 EGADMP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135601196 1377159409 /nfs/dbraw/zinc/15/94/09/1377159409.db2.gz SBDSOAUCKUVTIZ-SJORKVTESA-N 2 1 334.508 3.236 20 0 EGADMP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135601600 1377159744 /nfs/dbraw/zinc/15/97/44/1377159744.db2.gz WKITZRSVNLJQQK-SJORKVTESA-N 2 1 336.524 3.460 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC001135679975 1377181747 /nfs/dbraw/zinc/18/17/47/1377181747.db2.gz PWUNZVRWMWOGHY-IAGOWNOFSA-N 2 1 348.535 3.425 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135861517 1377238592 /nfs/dbraw/zinc/23/85/92/1377238592.db2.gz RXZOHXPOOKNEQN-ZWKOTPCHSA-N 2 1 333.520 3.018 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001266245462 1377243798 /nfs/dbraw/zinc/24/37/98/1377243798.db2.gz BKRJVXVMDPVGNA-RTBURBONSA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001266245462 1377243801 /nfs/dbraw/zinc/24/38/01/1377243801.db2.gz BKRJVXVMDPVGNA-RTBURBONSA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001266245462 1377243805 /nfs/dbraw/zinc/24/38/05/1377243805.db2.gz BKRJVXVMDPVGNA-RTBURBONSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135991497 1377289781 /nfs/dbraw/zinc/28/97/81/1377289781.db2.gz FBMRNCGOXJPGMT-OALUTQOASA-N 2 1 347.547 3.408 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1CC ZINC001135992888 1377291555 /nfs/dbraw/zinc/29/15/55/1377291555.db2.gz WDMPRIHSOYSFKC-QZTJIDSGSA-N 2 1 347.547 3.354 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001135995628 1377292167 /nfs/dbraw/zinc/29/21/67/1377292167.db2.gz IRYWLPTYNLOBAZ-HZPDHXFCSA-N 2 1 325.541 3.027 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc3nccnc3c2)CC1 ZINC001137087176 1377475489 /nfs/dbraw/zinc/47/54/89/1377475489.db2.gz WYKBMGOJRQOPLI-UHFFFAOYSA-N 2 1 333.439 3.072 20 0 EGADMP C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@@H+](C)Cc1ccccc1 ZINC001137208741 1377497051 /nfs/dbraw/zinc/49/70/51/1377497051.db2.gz LIBYUYXBEHQQQG-OALUTQOASA-N 2 1 345.531 3.278 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC001137319143 1377517626 /nfs/dbraw/zinc/51/76/26/1377517626.db2.gz JXGYKIYRICCZKU-UHFFFAOYSA-N 2 1 328.504 3.017 20 0 EGADMP CCC[NH+](CCC)CCN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC001137319718 1377517823 /nfs/dbraw/zinc/51/78/23/1377517823.db2.gz LWVSUUXILVWIEJ-UHFFFAOYSA-N 2 1 342.531 3.408 20 0 EGADMP COc1cccc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001137534203 1377562429 /nfs/dbraw/zinc/56/24/29/1377562429.db2.gz INNADAPCMOQMPJ-UHFFFAOYSA-N 2 1 339.483 3.434 20 0 EGADMP c1ccc(C[NH+]2CCC3(CCC[N@@H+](Cc4cncnc4)C3)CC2)cc1 ZINC001137671219 1377586765 /nfs/dbraw/zinc/58/67/65/1377586765.db2.gz BMCAWUBVALGABD-UHFFFAOYSA-N 2 1 336.483 3.355 20 0 EGADMP CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC001137819496 1377622125 /nfs/dbraw/zinc/62/21/25/1377622125.db2.gz VWKQJHVWELBXKC-PMACEKPBSA-N 2 1 345.531 3.086 20 0 EGADMP CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001137819496 1377622126 /nfs/dbraw/zinc/62/21/26/1377622126.db2.gz VWKQJHVWELBXKC-PMACEKPBSA-N 2 1 345.531 3.086 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(Cc3c[nH]c4ccc(Br)cc34)C[C@@H]2C1 ZINC001138317396 1377700931 /nfs/dbraw/zinc/70/09/31/1377700931.db2.gz SQMLHIWTHJIGLY-OCCSQVGLSA-N 2 1 348.288 3.314 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3c[nH]c4ccc(Br)cc34)C[C@@H]2C1 ZINC001138317396 1377700934 /nfs/dbraw/zinc/70/09/34/1377700934.db2.gz SQMLHIWTHJIGLY-OCCSQVGLSA-N 2 1 348.288 3.314 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c[nH]c4ccc(Br)cc34)C[C@@H]2C1 ZINC001138317396 1377700938 /nfs/dbraw/zinc/70/09/38/1377700938.db2.gz SQMLHIWTHJIGLY-OCCSQVGLSA-N 2 1 348.288 3.314 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c[nH]c4ccc(Br)cc34)C[C@@H]2C1 ZINC001138317396 1377700944 /nfs/dbraw/zinc/70/09/44/1377700944.db2.gz SQMLHIWTHJIGLY-OCCSQVGLSA-N 2 1 348.288 3.314 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c[nH]c4ccc(Br)cc34)C[C@@H]2C1 ZINC001138317396 1377700945 /nfs/dbraw/zinc/70/09/45/1377700945.db2.gz SQMLHIWTHJIGLY-OCCSQVGLSA-N 2 1 348.288 3.314 20 0 EGADMP CCOC(=O)C1(F)CCN(Cc2ccc(-n3ccnc3C)cc2)CC1 ZINC001138547327 1377740080 /nfs/dbraw/zinc/74/00/80/1377740080.db2.gz KHZUXMYXHQHQEN-UHFFFAOYSA-N 2 1 345.418 3.048 20 0 EGADMP Cc1cc(N2CC[NH+](Cc3c4cc[nH]c4ncc3Cl)CC2)cc[nH+]1 ZINC001138956054 1377808878 /nfs/dbraw/zinc/80/88/78/1377808878.db2.gz YCAMXWKKEAVSKH-UHFFFAOYSA-N 2 1 341.846 3.194 20 0 EGADMP C[NH+](C)CCN1CC[NH+](Cc2ccc(-c3cccs3)s2)CC1 ZINC001139017480 1377818693 /nfs/dbraw/zinc/81/86/93/1377818693.db2.gz PNKROWBXWAHGTR-UHFFFAOYSA-N 2 1 335.542 3.156 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]3c3ccccc3)s2)CC1 ZINC001139324936 1377868715 /nfs/dbraw/zinc/86/87/15/1377868715.db2.gz VHDCFAWDWIDZKW-SFHVURJKSA-N 2 1 342.512 3.232 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]3c3ccccc3)s2)CC1 ZINC001139324936 1377868719 /nfs/dbraw/zinc/86/87/19/1377868719.db2.gz VHDCFAWDWIDZKW-SFHVURJKSA-N 2 1 342.512 3.232 20 0 EGADMP CCCCC[NH+]1CCN(Cc2ccccc2-n2cc[nH+]c2C)CC1 ZINC001140028090 1377993226 /nfs/dbraw/zinc/99/32/26/1377993226.db2.gz KFWZBMIHDFJTAR-UHFFFAOYSA-N 2 1 326.488 3.489 20 0 EGADMP Oc1cccc2[nH]cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c21 ZINC001140235749 1378035231 /nfs/dbraw/zinc/03/52/31/1378035231.db2.gz OOGONLOIJPPAGP-OALUTQOASA-N 2 1 347.462 3.437 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(Cc3ccncn3)C[C@@H]21 ZINC001140343333 1378050303 /nfs/dbraw/zinc/05/03/03/1378050303.db2.gz DHTQUDNLSNXBIP-ZYSHUDEJSA-N 2 1 342.512 3.271 20 0 EGADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccncn3)C[C@@H]21 ZINC001140343333 1378050304 /nfs/dbraw/zinc/05/03/04/1378050304.db2.gz DHTQUDNLSNXBIP-ZYSHUDEJSA-N 2 1 342.512 3.271 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccncn3)C[C@@H]21 ZINC001140343333 1378050308 /nfs/dbraw/zinc/05/03/08/1378050308.db2.gz DHTQUDNLSNXBIP-ZYSHUDEJSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccncn3)C[C@@H]21 ZINC001140343333 1378050310 /nfs/dbraw/zinc/05/03/10/1378050310.db2.gz DHTQUDNLSNXBIP-ZYSHUDEJSA-N 2 1 342.512 3.271 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccncn3)C[C@@H]21 ZINC001140343333 1378050314 /nfs/dbraw/zinc/05/03/14/1378050314.db2.gz DHTQUDNLSNXBIP-ZYSHUDEJSA-N 2 1 342.512 3.271 20 0 EGADMP c1[nH]nc2ccc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)cc12 ZINC001140386598 1378055269 /nfs/dbraw/zinc/05/52/69/1378055269.db2.gz SVESRFXQKOAFOB-WOJBJXKFSA-N 2 1 332.451 3.127 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1c[nH]c2cccc(Cl)c12 ZINC001140436245 1378062648 /nfs/dbraw/zinc/06/26/48/1378062648.db2.gz UGOAFBFIKOKZSE-ZWKOTPCHSA-N 2 1 346.906 3.032 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cc[nH]c1)CC2 ZINC001140705315 1378119519 /nfs/dbraw/zinc/11/95/19/1378119519.db2.gz IAWOYBPEMXQYHL-KRWDZBQOSA-N 2 1 345.512 3.332 20 0 EGADMP CN(Cc1ccco1)Cc1cncc2c1CCN(Cc1cc[nH]c1)C2 ZINC001140706534 1378120043 /nfs/dbraw/zinc/12/00/43/1378120043.db2.gz SDPGRTLSUPQGAQ-UHFFFAOYSA-N 2 1 336.439 3.193 20 0 EGADMP CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1c[nH]c2cc[nH+]cc12 ZINC001140806251 1378147211 /nfs/dbraw/zinc/14/72/11/1378147211.db2.gz YYPWWRUOPIJZSO-MRXNPFEDSA-N 2 1 347.459 3.133 20 0 EGADMP CCC[C@H](COC)[N@@H+](CCC(=O)OCC)Cc1c[nH]c2cc[nH+]cc12 ZINC001140806251 1378147213 /nfs/dbraw/zinc/14/72/13/1378147213.db2.gz YYPWWRUOPIJZSO-MRXNPFEDSA-N 2 1 347.459 3.133 20 0 EGADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(Oc3ncccn3)cc1)CC2 ZINC001275722225 1378153768 /nfs/dbraw/zinc/15/37/68/1378153768.db2.gz OWGAEROEGZHNOD-UHFFFAOYSA-N 2 1 338.455 3.187 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC(F)(F)C(C)(C)C2)CC1 ZINC001140970816 1378196202 /nfs/dbraw/zinc/19/62/02/1378196202.db2.gz VOCCPOZFMYXWBZ-UHFFFAOYSA-N 2 1 337.458 3.306 20 0 EGADMP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ncco2)CC3)c1 ZINC001141007785 1378207310 /nfs/dbraw/zinc/20/73/10/1378207310.db2.gz AQIZZWCTLTUKRY-UHFFFAOYSA-N 2 1 341.455 3.171 20 0 EGADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ncco2)CC3)c1 ZINC001141007785 1378207314 /nfs/dbraw/zinc/20/73/14/1378207314.db2.gz AQIZZWCTLTUKRY-UHFFFAOYSA-N 2 1 341.455 3.171 20 0 EGADMP Cc1ncoc1C[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001141054303 1378223248 /nfs/dbraw/zinc/22/32/48/1378223248.db2.gz SCWSQEYYHPMGFQ-UHFFFAOYSA-N 2 1 340.471 3.255 20 0 EGADMP CC(C)CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706351 1378902717 /nfs/dbraw/zinc/90/27/17/1378902717.db2.gz DCYQSAYZHJJKJB-MOPGFXCFSA-N 2 1 347.547 3.428 20 0 EGADMP CC(C)CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706351 1378902719 /nfs/dbraw/zinc/90/27/19/1378902719.db2.gz DCYQSAYZHJJKJB-MOPGFXCFSA-N 2 1 347.547 3.428 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](C)CC(C)C ZINC001147359547 1379009342 /nfs/dbraw/zinc/00/93/42/1379009342.db2.gz RJMYVSOFHKDPKL-ROUUACIJSA-N 2 1 325.541 3.029 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541186 1379039329 /nfs/dbraw/zinc/03/93/29/1379039329.db2.gz LKWNTAXEEDQWQQ-OVKVCFKUSA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147541186 1379039335 /nfs/dbraw/zinc/03/93/35/1379039335.db2.gz LKWNTAXEEDQWQQ-OVKVCFKUSA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147541186 1379039341 /nfs/dbraw/zinc/03/93/41/1379039341.db2.gz LKWNTAXEEDQWQQ-OVKVCFKUSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147987117 1379103234 /nfs/dbraw/zinc/10/32/34/1379103234.db2.gz YDWLEGRRMGROOH-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001147987117 1379103235 /nfs/dbraw/zinc/10/32/35/1379103235.db2.gz YDWLEGRRMGROOH-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001147987117 1379103236 /nfs/dbraw/zinc/10/32/36/1379103236.db2.gz YDWLEGRRMGROOH-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[N@@H+]1CCC2(CN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001148377734 1379159389 /nfs/dbraw/zinc/15/93/89/1379159389.db2.gz CCUDDYIRLBTLHV-UHFFFAOYSA-N 2 1 346.519 3.121 20 0 EGADMP CCCCC[N@H+]1CCC2(CN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001148377734 1379159390 /nfs/dbraw/zinc/15/93/90/1379159390.db2.gz CCUDDYIRLBTLHV-UHFFFAOYSA-N 2 1 346.519 3.121 20 0 EGADMP CCCC[N@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)CC)C2)C1 ZINC001148611888 1379225762 /nfs/dbraw/zinc/22/57/62/1379225762.db2.gz RASKJXZWPZPLJZ-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CCCC[NH+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)C2)C1 ZINC001148611888 1379225764 /nfs/dbraw/zinc/22/57/64/1379225764.db2.gz RASKJXZWPZPLJZ-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CCCC[NH+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001148611888 1379225766 /nfs/dbraw/zinc/22/57/66/1379225766.db2.gz RASKJXZWPZPLJZ-LJQANCHMSA-N 2 1 343.515 3.014 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001148812929 1379274145 /nfs/dbraw/zinc/27/41/45/1379274145.db2.gz ZGNNGNICXIQLDZ-LXORQPIJSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC001149140458 1379332595 /nfs/dbraw/zinc/33/25/95/1379332595.db2.gz WGIWYGYWYUPFCV-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001149140458 1379332597 /nfs/dbraw/zinc/33/25/97/1379332597.db2.gz WGIWYGYWYUPFCV-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001149140458 1379332604 /nfs/dbraw/zinc/33/26/04/1379332604.db2.gz WGIWYGYWYUPFCV-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC001149140460 1379332694 /nfs/dbraw/zinc/33/26/94/1379332694.db2.gz WGIWYGYWYUPFCV-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001149140460 1379332700 /nfs/dbraw/zinc/33/27/00/1379332700.db2.gz WGIWYGYWYUPFCV-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001149140460 1379332704 /nfs/dbraw/zinc/33/27/04/1379332704.db2.gz WGIWYGYWYUPFCV-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313658 1380053356 /nfs/dbraw/zinc/05/33/56/1380053356.db2.gz UURWWEIEIFSZRI-AMQGLKLZSA-N 2 1 337.552 3.432 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153313658 1380053358 /nfs/dbraw/zinc/05/33/58/1380053358.db2.gz UURWWEIEIFSZRI-AMQGLKLZSA-N 2 1 337.552 3.432 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153313658 1380053363 /nfs/dbraw/zinc/05/33/63/1380053363.db2.gz UURWWEIEIFSZRI-AMQGLKLZSA-N 2 1 337.552 3.432 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313662 1380053383 /nfs/dbraw/zinc/05/33/83/1380053383.db2.gz UURWWEIEIFSZRI-COQIJWMOSA-N 2 1 337.552 3.432 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153313662 1380053389 /nfs/dbraw/zinc/05/33/89/1380053389.db2.gz UURWWEIEIFSZRI-COQIJWMOSA-N 2 1 337.552 3.432 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153313662 1380053393 /nfs/dbraw/zinc/05/33/93/1380053393.db2.gz UURWWEIEIFSZRI-COQIJWMOSA-N 2 1 337.552 3.432 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153312526 1380053433 /nfs/dbraw/zinc/05/34/33/1380053433.db2.gz JGFGZTQUURTZCD-IAGOWNOFSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153312526 1380053437 /nfs/dbraw/zinc/05/34/37/1380053437.db2.gz JGFGZTQUURTZCD-IAGOWNOFSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153312526 1380053442 /nfs/dbraw/zinc/05/34/42/1380053442.db2.gz JGFGZTQUURTZCD-IAGOWNOFSA-N 2 1 325.541 3.122 20 0 EGADMP CC[C@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677928 1380113678 /nfs/dbraw/zinc/11/36/78/1380113678.db2.gz RWJHJBNBCZQRKC-LSDHHAIUSA-N 2 1 339.549 3.296 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001153802308 1380132395 /nfs/dbraw/zinc/13/23/95/1380132395.db2.gz IUBBTHLBWBQHGU-TYFAACHXSA-N 2 1 337.552 3.147 20 0 EGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001153802308 1380132397 /nfs/dbraw/zinc/13/23/97/1380132397.db2.gz IUBBTHLBWBQHGU-TYFAACHXSA-N 2 1 337.552 3.147 20 0 EGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001153802308 1380132398 /nfs/dbraw/zinc/13/23/98/1380132398.db2.gz IUBBTHLBWBQHGU-TYFAACHXSA-N 2 1 337.552 3.147 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2nccn21 ZINC001153818826 1380136155 /nfs/dbraw/zinc/13/61/55/1380136155.db2.gz BTTAMABHGVWVFI-YQJUVHNHSA-N 2 1 346.519 3.334 20 0 EGADMP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153818826 1380136156 /nfs/dbraw/zinc/13/61/56/1380136156.db2.gz BTTAMABHGVWVFI-YQJUVHNHSA-N 2 1 346.519 3.334 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153818826 1380136157 /nfs/dbraw/zinc/13/61/57/1380136157.db2.gz BTTAMABHGVWVFI-YQJUVHNHSA-N 2 1 346.519 3.334 20 0 EGADMP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854699 1380144329 /nfs/dbraw/zinc/14/43/29/1380144329.db2.gz REQUDUCVDLRYSJ-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153854699 1380144330 /nfs/dbraw/zinc/14/43/30/1380144330.db2.gz REQUDUCVDLRYSJ-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153854699 1380144331 /nfs/dbraw/zinc/14/43/31/1380144331.db2.gz REQUDUCVDLRYSJ-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCCc1ccccc1)[NH+](C)C ZINC001154001817 1380174883 /nfs/dbraw/zinc/17/48/83/1380174883.db2.gz XLXYSLKBNRKSQR-UYAOXDASSA-N 2 1 347.547 3.176 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC/C=C/c1ccccc1)[NH+](C)C ZINC001154000882 1380174890 /nfs/dbraw/zinc/17/48/90/1380174890.db2.gz LPPGJVVTKQCDEE-LUTBZEOJSA-N 2 1 345.531 3.257 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCc1ccc(C)cc1)[NH+](C)C ZINC001154000435 1380175151 /nfs/dbraw/zinc/17/51/51/1380175151.db2.gz AYJIIDLREAVJHL-UYAOXDASSA-N 2 1 347.547 3.094 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154123295 1380212929 /nfs/dbraw/zinc/21/29/29/1380212929.db2.gz TVIKONFZBBOBOP-RTBURBONSA-N 2 1 339.568 3.370 20 0 EGADMP CC[NH+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001154123295 1380212930 /nfs/dbraw/zinc/21/29/30/1380212930.db2.gz TVIKONFZBBOBOP-RTBURBONSA-N 2 1 339.568 3.370 20 0 EGADMP CC[NH+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001154123295 1380212932 /nfs/dbraw/zinc/21/29/32/1380212932.db2.gz TVIKONFZBBOBOP-RTBURBONSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167972 1380219869 /nfs/dbraw/zinc/21/98/69/1380219869.db2.gz XPEKBSMDYWXQRC-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001154344686 1380261011 /nfs/dbraw/zinc/26/10/11/1380261011.db2.gz JOVXCCLKWNNMTO-MRXNPFEDSA-N 2 1 348.535 3.025 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001154344686 1380261013 /nfs/dbraw/zinc/26/10/13/1380261013.db2.gz JOVXCCLKWNNMTO-MRXNPFEDSA-N 2 1 348.535 3.025 20 0 EGADMP CC[C@@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154481669 1380285628 /nfs/dbraw/zinc/28/56/28/1380285628.db2.gz QGJMDTOOICNQDW-QZTJIDSGSA-N 2 1 347.547 3.277 20 0 EGADMP CC[N@@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580666 1380309561 /nfs/dbraw/zinc/30/95/61/1380309561.db2.gz ZMYFOLZLKQZMHR-GOSISDBHSA-N 2 1 345.531 3.196 20 0 EGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001154785033 1380350684 /nfs/dbraw/zinc/35/06/84/1380350684.db2.gz WRWJRYRRIJCYRM-TYFAACHXSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001154785033 1380350686 /nfs/dbraw/zinc/35/06/86/1380350686.db2.gz WRWJRYRRIJCYRM-TYFAACHXSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001154785033 1380350689 /nfs/dbraw/zinc/35/06/89/1380350689.db2.gz WRWJRYRRIJCYRM-TYFAACHXSA-N 2 1 337.552 3.291 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](CC)CC2CCCC2)C1 ZINC001154784851 1380350745 /nfs/dbraw/zinc/35/07/45/1380350745.db2.gz NHCATHSQEKYQRO-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC2CCCC2)C1 ZINC001154784851 1380350746 /nfs/dbraw/zinc/35/07/46/1380350746.db2.gz NHCATHSQEKYQRO-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC2CCCC2)C1 ZINC001154784851 1380350747 /nfs/dbraw/zinc/35/07/47/1380350747.db2.gz NHCATHSQEKYQRO-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CC1CC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001154844526 1380363444 /nfs/dbraw/zinc/36/34/44/1380363444.db2.gz LWKTXTUBQXKTQY-VQIMIIECSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CC1CC1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001154844526 1380363446 /nfs/dbraw/zinc/36/34/46/1380363446.db2.gz LWKTXTUBQXKTQY-VQIMIIECSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CC1CC1)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001154844526 1380363448 /nfs/dbraw/zinc/36/34/48/1380363448.db2.gz LWKTXTUBQXKTQY-VQIMIIECSA-N 2 1 335.536 3.020 20 0 EGADMP COc1cc2[nH+]c(NC[C@@H]3CCC[NH2+]C[C@@H]3C)ccc2c(OC)c1 ZINC001155032070 1380395281 /nfs/dbraw/zinc/39/52/81/1380395281.db2.gz WLYVFLVCTPTZBK-KBPBESRZSA-N 2 1 329.444 3.300 20 0 EGADMP COc1cc2[nH+]c(NC[C@H]3CCC[NH2+]C[C@@H]3C)ccc2c(OC)c1 ZINC001155032072 1380395287 /nfs/dbraw/zinc/39/52/87/1380395287.db2.gz WLYVFLVCTPTZBK-UONOGXRCSA-N 2 1 329.444 3.300 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001155180707 1380420220 /nfs/dbraw/zinc/42/02/20/1380420220.db2.gz MPGSROAGKPVCCM-ASDDNKKMSA-N 2 1 325.541 3.290 20 0 EGADMP CC[N@@H+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226111 1380426333 /nfs/dbraw/zinc/42/63/33/1380426333.db2.gz HMCARMIOBGSUDZ-LZZACLKFSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155226111 1380426334 /nfs/dbraw/zinc/42/63/34/1380426334.db2.gz HMCARMIOBGSUDZ-LZZACLKFSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155226111 1380426335 /nfs/dbraw/zinc/42/63/35/1380426335.db2.gz HMCARMIOBGSUDZ-LZZACLKFSA-N 2 1 343.515 3.011 20 0 EGADMP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255245 1380429492 /nfs/dbraw/zinc/42/94/92/1380429492.db2.gz OSORGZQOARQBDT-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001155255245 1380429493 /nfs/dbraw/zinc/42/94/93/1380429493.db2.gz OSORGZQOARQBDT-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001155255245 1380429494 /nfs/dbraw/zinc/42/94/94/1380429494.db2.gz OSORGZQOARQBDT-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155262777 1380430163 /nfs/dbraw/zinc/43/01/63/1380430163.db2.gz HLSUECVDRCLNLG-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](CC1CCCCC1)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001155262777 1380430164 /nfs/dbraw/zinc/43/01/64/1380430164.db2.gz HLSUECVDRCLNLG-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](CC1CCCCC1)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001155262777 1380430165 /nfs/dbraw/zinc/43/01/65/1380430165.db2.gz HLSUECVDRCLNLG-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001155619962 1380474624 /nfs/dbraw/zinc/47/46/24/1380474624.db2.gz FAZDGCKYQSXPMH-QUCCMNQESA-N 2 1 345.531 3.276 20 0 EGADMP CC[NH+](Cc1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001155619962 1380474625 /nfs/dbraw/zinc/47/46/25/1380474625.db2.gz FAZDGCKYQSXPMH-QUCCMNQESA-N 2 1 345.531 3.276 20 0 EGADMP CC[NH+](Cc1ccccc1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001155619962 1380474629 /nfs/dbraw/zinc/47/46/29/1380474629.db2.gz FAZDGCKYQSXPMH-QUCCMNQESA-N 2 1 345.531 3.276 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001155621094 1380475019 /nfs/dbraw/zinc/47/50/19/1380475019.db2.gz MZSKRKXOTHFLOZ-JCMVTEASSA-N 2 1 337.552 3.432 20 0 EGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001155621094 1380475022 /nfs/dbraw/zinc/47/50/22/1380475022.db2.gz MZSKRKXOTHFLOZ-JCMVTEASSA-N 2 1 337.552 3.432 20 0 EGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001155621094 1380475024 /nfs/dbraw/zinc/47/50/24/1380475024.db2.gz MZSKRKXOTHFLOZ-JCMVTEASSA-N 2 1 337.552 3.432 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC[C@@H](C)F ZINC001155878164 1380501948 /nfs/dbraw/zinc/50/19/48/1380501948.db2.gz WHIQLUPKZFDEEK-IAGOWNOFSA-N 2 1 331.520 3.073 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC[C@@H](C)F ZINC001155878164 1380501950 /nfs/dbraw/zinc/50/19/50/1380501950.db2.gz WHIQLUPKZFDEEK-IAGOWNOFSA-N 2 1 331.520 3.073 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC[C@@H](C)F ZINC001155878164 1380501952 /nfs/dbraw/zinc/50/19/52/1380501952.db2.gz WHIQLUPKZFDEEK-IAGOWNOFSA-N 2 1 331.520 3.073 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCCCF)C(C)C ZINC001155883968 1380502345 /nfs/dbraw/zinc/50/23/45/1380502345.db2.gz UJUVDFZGPQGVLZ-MSOLQXFVSA-N 2 1 345.547 3.319 20 0 EGADMP CC[N@@H+](Cc1ccccc1C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155994294 1380511790 /nfs/dbraw/zinc/51/17/90/1380511790.db2.gz PXXSHMDMUGKFKN-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131242 1380529246 /nfs/dbraw/zinc/52/92/46/1380529246.db2.gz JCHXWTOVMYMSGB-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CC(C)C ZINC001156306920 1380555326 /nfs/dbraw/zinc/55/53/26/1380555326.db2.gz WPNXLKNFZDGWLV-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC(C)C ZINC001156306920 1380555328 /nfs/dbraw/zinc/55/53/28/1380555328.db2.gz WPNXLKNFZDGWLV-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC(C)C ZINC001156306920 1380555329 /nfs/dbraw/zinc/55/53/29/1380555329.db2.gz WPNXLKNFZDGWLV-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP CCc1cccc(C[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+](C)C)c1 ZINC001156466818 1380579673 /nfs/dbraw/zinc/57/96/73/1380579673.db2.gz WOLONGGJVUTVIW-GOSISDBHSA-N 2 1 347.547 3.308 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1C1CC1 ZINC001156531098 1380589318 /nfs/dbraw/zinc/58/93/18/1380589318.db2.gz WRVHTRXYEPBCPQ-QGZVFWFLSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1C1CC1 ZINC001156531098 1380589320 /nfs/dbraw/zinc/58/93/20/1380589320.db2.gz WRVHTRXYEPBCPQ-QGZVFWFLSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1C1CC1 ZINC001156531098 1380589322 /nfs/dbraw/zinc/58/93/22/1380589322.db2.gz WRVHTRXYEPBCPQ-QGZVFWFLSA-N 2 1 345.531 3.232 20 0 EGADMP CC[N@@H+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156889671 1380719616 /nfs/dbraw/zinc/71/96/16/1380719616.db2.gz BSLYNULWPMTUHH-XLIONFOSSA-N 2 1 345.531 3.088 20 0 EGADMP CC[NH+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156889671 1380719621 /nfs/dbraw/zinc/71/96/21/1380719621.db2.gz BSLYNULWPMTUHH-XLIONFOSSA-N 2 1 345.531 3.088 20 0 EGADMP CC[NH+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156889671 1380719625 /nfs/dbraw/zinc/71/96/25/1380719625.db2.gz BSLYNULWPMTUHH-XLIONFOSSA-N 2 1 345.531 3.088 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCNc1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001156925291 1380730398 /nfs/dbraw/zinc/73/03/98/1380730398.db2.gz HBNGWFOVNKGBQN-QGZVFWFLSA-N 3 1 346.519 3.231 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCCNc1cc(OC2CC[NH+](C)CC2)ccn1 ZINC001156925291 1380730402 /nfs/dbraw/zinc/73/04/02/1380730402.db2.gz HBNGWFOVNKGBQN-QGZVFWFLSA-N 2 1 346.519 3.231 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCNc1cc(OC2CC[NH+](C)CC2)ccn1 ZINC001156925291 1380730405 /nfs/dbraw/zinc/73/04/05/1380730405.db2.gz HBNGWFOVNKGBQN-QGZVFWFLSA-N 2 1 346.519 3.231 20 0 EGADMP CC[N@@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157091776 1380774490 /nfs/dbraw/zinc/77/44/90/1380774490.db2.gz BDEHHRNUZKATTF-RBUKOAKNSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157108737 1380777053 /nfs/dbraw/zinc/77/70/53/1380777053.db2.gz CDSNZPAJUFXLGR-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001157108737 1380777057 /nfs/dbraw/zinc/77/70/57/1380777057.db2.gz CDSNZPAJUFXLGR-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109007 1380777394 /nfs/dbraw/zinc/77/73/94/1380777394.db2.gz FVVATBMFABIKAF-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001157109007 1380777398 /nfs/dbraw/zinc/77/73/98/1380777398.db2.gz FVVATBMFABIKAF-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[N@@H+]1C[C@H]2CN(c3ccc([C@@H]4CCCC[NH+]4CC)cn3)C[C@H]2C1 ZINC001157698063 1381006550 /nfs/dbraw/zinc/00/65/50/1381006550.db2.gz BICCEIIOIKEXOB-ZCNNSNEGSA-N 2 1 342.531 3.407 20 0 EGADMP CCC[NH+]1C[C@H]2CN(c3ccc([C@@H]4CCCC[N@@H+]4CC)cn3)C[C@H]2C1 ZINC001157698063 1381006554 /nfs/dbraw/zinc/00/65/54/1381006554.db2.gz BICCEIIOIKEXOB-ZCNNSNEGSA-N 2 1 342.531 3.407 20 0 EGADMP CCC[NH+]1C[C@H]2CN(c3ccc([C@@H]4CCCC[N@H+]4CC)cn3)C[C@H]2C1 ZINC001157698063 1381006556 /nfs/dbraw/zinc/00/65/56/1381006556.db2.gz BICCEIIOIKEXOB-ZCNNSNEGSA-N 2 1 342.531 3.407 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001157887419 1381060807 /nfs/dbraw/zinc/06/08/07/1381060807.db2.gz VHJQHFFLZBKYKC-SFHVURJKSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157951130 1381079921 /nfs/dbraw/zinc/07/99/21/1381079921.db2.gz PUQDKVVFEUGRIG-MOPGFXCFSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001157951130 1381079925 /nfs/dbraw/zinc/07/99/25/1381079925.db2.gz PUQDKVVFEUGRIG-MOPGFXCFSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001157951130 1381079929 /nfs/dbraw/zinc/07/99/29/1381079929.db2.gz PUQDKVVFEUGRIG-MOPGFXCFSA-N 2 1 335.536 3.138 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001157957581 1381081243 /nfs/dbraw/zinc/08/12/43/1381081243.db2.gz FLMFSCBXBQSVDQ-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001157957581 1381081247 /nfs/dbraw/zinc/08/12/47/1381081247.db2.gz FLMFSCBXBQSVDQ-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001157957581 1381081250 /nfs/dbraw/zinc/08/12/50/1381081250.db2.gz FLMFSCBXBQSVDQ-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CC/C=C\CC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158097776 1381126223 /nfs/dbraw/zinc/12/62/23/1381126223.db2.gz DYFCYIWXAXFGOR-DDKKJVIOSA-N 2 1 335.536 3.093 20 0 EGADMP C[N@@H+](CCC1CC1)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158227758 1381167334 /nfs/dbraw/zinc/16/73/34/1381167334.db2.gz OJDZKPGFWCQEMS-LJQANCHMSA-N 2 1 340.471 3.061 20 0 EGADMP CC1(C)C[C@H](Nc2nc(N3CCCCC3)cc[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001158267391 1381178687 /nfs/dbraw/zinc/17/86/87/1381178687.db2.gz WUFYXMBEPUHTFA-HNAYVOBHSA-N 2 1 331.508 3.423 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001158353987 1381213518 /nfs/dbraw/zinc/21/35/18/1381213518.db2.gz DODAPDXBDBOXLR-KRWDZBQOSA-N 2 1 348.535 3.463 20 0 EGADMP Cc1ccccc1C[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158437782 1381245793 /nfs/dbraw/zinc/24/57/93/1381245793.db2.gz DBCLPZLZZVEVNV-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158446181 1381248425 /nfs/dbraw/zinc/24/84/25/1381248425.db2.gz WFSXDUHGNPCZBT-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC1CCCC1 ZINC001158450448 1381249139 /nfs/dbraw/zinc/24/91/39/1381249139.db2.gz QZQFTVIVJUGLJJ-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@H]1C ZINC001158472967 1381257939 /nfs/dbraw/zinc/25/79/39/1381257939.db2.gz HTMJWXQOIIJCHF-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1C ZINC001158472967 1381257941 /nfs/dbraw/zinc/25/79/41/1381257941.db2.gz HTMJWXQOIIJCHF-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1C ZINC001158472967 1381257945 /nfs/dbraw/zinc/25/79/45/1381257945.db2.gz HTMJWXQOIIJCHF-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001158480185 1381261680 /nfs/dbraw/zinc/26/16/80/1381261680.db2.gz HOPRYXNTGBSQGS-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001158480185 1381261683 /nfs/dbraw/zinc/26/16/83/1381261683.db2.gz HOPRYXNTGBSQGS-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001158480185 1381261685 /nfs/dbraw/zinc/26/16/85/1381261685.db2.gz HOPRYXNTGBSQGS-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001158540283 1381289053 /nfs/dbraw/zinc/28/90/53/1381289053.db2.gz FNTDZSSFQDBHQV-GOSISDBHSA-N 2 1 346.519 3.286 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001158540283 1381289058 /nfs/dbraw/zinc/28/90/58/1381289058.db2.gz FNTDZSSFQDBHQV-GOSISDBHSA-N 2 1 346.519 3.286 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001158872476 1381444947 /nfs/dbraw/zinc/44/49/47/1381444947.db2.gz LQKNFRXGZCGLKX-LJQANCHMSA-N 2 1 337.552 3.366 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](CC)c1ccccc1 ZINC001159355550 1381774963 /nfs/dbraw/zinc/77/49/63/1381774963.db2.gz HADVDGXIRHBSLK-RBUKOAKNSA-N 2 1 331.504 3.108 20 0 EGADMP CC(C)(C[NH3+])c1ccc(Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001159579702 1381835442 /nfs/dbraw/zinc/83/54/42/1381835442.db2.gz GYVLWOFMMLIWCA-UHFFFAOYSA-N 2 1 339.483 3.499 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC001159823236 1381911475 /nfs/dbraw/zinc/91/14/75/1381911475.db2.gz VYMDNGRFRUJOQY-PMACEKPBSA-N 2 1 345.531 3.212 20 0 EGADMP CCC/C=C/CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159908256 1381934354 /nfs/dbraw/zinc/93/43/54/1381934354.db2.gz HSTWBEAKAOIPEU-VZSQWMKGSA-N 2 1 335.536 3.236 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001159911049 1381934475 /nfs/dbraw/zinc/93/44/75/1381934475.db2.gz XBYOJQDQVAFQFG-CTWPCTMYSA-N 2 1 337.552 3.172 20 0 EGADMP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001159924516 1381939736 /nfs/dbraw/zinc/93/97/36/1381939736.db2.gz LETYJYZFESMJRN-KRWDZBQOSA-N 2 1 346.519 3.073 20 0 EGADMP FC(F)(F)c1c[nH+]ccc1Nc1ccccc1O[C@H]1CCC[NH2+]C1 ZINC001160235897 1382043775 /nfs/dbraw/zinc/04/37/75/1382043775.db2.gz XTRSJSXPFXLXRW-LBPRGKRZSA-N 2 1 337.345 3.397 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCC(C)C)CC1 ZINC001160285950 1382061844 /nfs/dbraw/zinc/06/18/44/1382061844.db2.gz MAPJIFRBDACBLK-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCC(C)C)CC1 ZINC001160285950 1382061848 /nfs/dbraw/zinc/06/18/48/1382061848.db2.gz MAPJIFRBDACBLK-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCC(C)C)CC1 ZINC001160285950 1382061852 /nfs/dbraw/zinc/06/18/52/1382061852.db2.gz MAPJIFRBDACBLK-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360289 1382081963 /nfs/dbraw/zinc/08/19/63/1382081963.db2.gz NJDHEDTWKIKOPA-ICSRJNTNSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160360289 1382081965 /nfs/dbraw/zinc/08/19/65/1382081965.db2.gz NJDHEDTWKIKOPA-ICSRJNTNSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160360289 1382081973 /nfs/dbraw/zinc/08/19/73/1382081973.db2.gz NJDHEDTWKIKOPA-ICSRJNTNSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160501053 1382125033 /nfs/dbraw/zinc/12/50/33/1382125033.db2.gz VPSUUXMGUPJONS-PRPIBZDOSA-N 2 1 347.547 3.356 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001160501053 1382125037 /nfs/dbraw/zinc/12/50/37/1382125037.db2.gz VPSUUXMGUPJONS-PRPIBZDOSA-N 2 1 347.547 3.356 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001160501053 1382125039 /nfs/dbraw/zinc/12/50/39/1382125039.db2.gz VPSUUXMGUPJONS-PRPIBZDOSA-N 2 1 347.547 3.356 20 0 EGADMP CC[C@@H]1CCCC[C@H]1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC001292582130 1382204419 /nfs/dbraw/zinc/20/44/19/1382204419.db2.gz KAWUSJMGBOBSQL-CEXWTWQISA-N 2 1 337.552 3.077 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160870005 1382219772 /nfs/dbraw/zinc/21/97/72/1382219772.db2.gz UNIDFRVFDHHDKN-RTBURBONSA-N 2 1 335.536 3.070 20 0 EGADMP O=C(NCCC[NH2+]CCCC1CCCC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160870510 1382219826 /nfs/dbraw/zinc/21/98/26/1382219826.db2.gz YJBZSOKXZUNVPK-RTBURBONSA-N 2 1 335.536 3.070 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161008994 1382270966 /nfs/dbraw/zinc/27/09/66/1382270966.db2.gz ZYEPDUPPFQNASB-ICSRJNTNSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001161008994 1382270970 /nfs/dbraw/zinc/27/09/70/1382270970.db2.gz ZYEPDUPPFQNASB-ICSRJNTNSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001161008994 1382270973 /nfs/dbraw/zinc/27/09/73/1382270973.db2.gz ZYEPDUPPFQNASB-ICSRJNTNSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001161042361 1382280493 /nfs/dbraw/zinc/28/04/93/1382280493.db2.gz PDGXQIOWPHRWFL-XLIONFOSSA-N 2 1 345.531 3.451 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001161205848 1382340667 /nfs/dbraw/zinc/34/06/67/1382340667.db2.gz HGXLGPVILWSLKK-GOSISDBHSA-N 2 1 349.563 3.435 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001161205848 1382340673 /nfs/dbraw/zinc/34/06/73/1382340673.db2.gz HGXLGPVILWSLKK-GOSISDBHSA-N 2 1 349.563 3.435 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001161205848 1382340676 /nfs/dbraw/zinc/34/06/76/1382340676.db2.gz HGXLGPVILWSLKK-GOSISDBHSA-N 2 1 349.563 3.435 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC1=CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001161206757 1382340969 /nfs/dbraw/zinc/34/09/69/1382340969.db2.gz MWIOXIRDAGXFFS-KRWDZBQOSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001161206757 1382340972 /nfs/dbraw/zinc/34/09/72/1382340972.db2.gz MWIOXIRDAGXFFS-KRWDZBQOSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001161206757 1382340976 /nfs/dbraw/zinc/34/09/76/1382340976.db2.gz MWIOXIRDAGXFFS-KRWDZBQOSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H](C(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1)[NH+](CC)CC ZINC001161213896 1382344681 /nfs/dbraw/zinc/34/46/81/1382344681.db2.gz NXAYMVISCRAOHJ-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP CC[C@@H](C(=O)NCCC1=CC[N@H+]([C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001161240380 1382352175 /nfs/dbraw/zinc/35/21/75/1382352175.db2.gz VEEVWPKMFKOFQR-XLIONFOSSA-N 2 1 343.515 3.226 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391062 1382395630 /nfs/dbraw/zinc/39/56/30/1382395630.db2.gz OHGDXZFQSVPGBV-UYAOXDASSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161391062 1382395634 /nfs/dbraw/zinc/39/56/34/1382395634.db2.gz OHGDXZFQSVPGBV-UYAOXDASSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161391062 1382395640 /nfs/dbraw/zinc/39/56/40/1382395640.db2.gz OHGDXZFQSVPGBV-UYAOXDASSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444324 1382412022 /nfs/dbraw/zinc/41/20/22/1382412022.db2.gz BZVXPXKOPPFVAD-UXHICEINSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001161444324 1382412025 /nfs/dbraw/zinc/41/20/25/1382412025.db2.gz BZVXPXKOPPFVAD-UXHICEINSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001161444324 1382412026 /nfs/dbraw/zinc/41/20/26/1382412026.db2.gz BZVXPXKOPPFVAD-UXHICEINSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001161638457 1382466927 /nfs/dbraw/zinc/46/69/27/1382466927.db2.gz PMYCXAFTQRDWAA-CTWPCTMYSA-N 2 1 337.552 3.029 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704769 1382484853 /nfs/dbraw/zinc/48/48/53/1382484853.db2.gz IGYSNWQQOMHWPT-MOPGFXCFSA-N 2 1 335.536 3.045 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161705484 1382486082 /nfs/dbraw/zinc/48/60/82/1382486082.db2.gz UJNZRNLXFFQOSL-PMACEKPBSA-N 2 1 349.563 3.435 20 0 EGADMP Fc1cccc([C@H](Nc2nc(NC3CC3)cc[nH+]2)C2CC[NH2+]CC2)c1 ZINC001161820799 1382520318 /nfs/dbraw/zinc/52/03/18/1382520318.db2.gz ONYTYJBSDAHTDP-GOSISDBHSA-N 2 1 341.434 3.343 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NCCC2=CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001161857531 1382532759 /nfs/dbraw/zinc/53/27/59/1382532759.db2.gz PZXQXPUAYAICCH-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NCCC2=CC[N@H+](CCC3CCCCC3)CC2)C1 ZINC001161857531 1382532765 /nfs/dbraw/zinc/53/27/65/1382532765.db2.gz PZXQXPUAYAICCH-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NCCC2=CC[N@@H+](CCC3CCCCC3)CC2)C1 ZINC001161857531 1382532770 /nfs/dbraw/zinc/53/27/70/1382532770.db2.gz PZXQXPUAYAICCH-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP Cn1ccc2cc(CNc3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)ccc21 ZINC001162169402 1382647275 /nfs/dbraw/zinc/64/72/75/1382647275.db2.gz RJWXJNURXMIXDK-UHFFFAOYSA-N 2 1 331.423 3.125 20 0 EGADMP Cc1cc(C(F)(F)F)cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)[nH+]1 ZINC001163049218 1382954746 /nfs/dbraw/zinc/95/47/46/1382954746.db2.gz AHLOIAQHCQIJCS-CYBMUJFWSA-N 2 1 338.377 3.432 20 0 EGADMP C[NH+](C)Cc1c(F)cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)cc1F ZINC001163066926 1382959926 /nfs/dbraw/zinc/95/99/26/1382959926.db2.gz YQFQNKMBHVYGTO-CQSZACIVSA-N 2 1 348.441 3.050 20 0 EGADMP CCCc1cc(N2CCC(COCC[NH+]3CCCC3)CC2)nc(C)[nH+]1 ZINC001163881534 1383132394 /nfs/dbraw/zinc/13/23/94/1383132394.db2.gz KHEPSXNOSLRYRX-UHFFFAOYSA-N 2 1 346.519 3.066 20 0 EGADMP C[NH+](C)C1(CNc2cc(F)c(OC(F)F)c(F)c2)CC[NH+](C)CC1 ZINC001164213116 1383166744 /nfs/dbraw/zinc/16/67/44/1383166744.db2.gz PIPCLEKSYQFOIX-UHFFFAOYSA-N 2 1 349.372 3.004 20 0 EGADMP C[NH+](C)C1(CNc2cc(F)c(F)c(C(F)F)c2)CC[NH+](C)CC1 ZINC001164216631 1383166885 /nfs/dbraw/zinc/16/68/85/1383166885.db2.gz GMFSFRMOLQASAJ-UHFFFAOYSA-N 2 1 333.373 3.340 20 0 EGADMP Nc1[nH]c2ccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cc2[nH+]1 ZINC001164491174 1383192593 /nfs/dbraw/zinc/19/25/93/1383192593.db2.gz CMHGNIKVTAAQDF-CGTJXYLNSA-N 2 1 347.466 3.468 20 0 EGADMP CC/C=C\CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164491240 1383192658 /nfs/dbraw/zinc/19/26/58/1383192658.db2.gz CSDDSWJFDRROIL-LLHWWHOWSA-N 2 1 335.536 3.236 20 0 EGADMP O=C(NCCC[NH2+]Cc1ccccc1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164491724 1383192675 /nfs/dbraw/zinc/19/26/75/1383192675.db2.gz NBTLKNIZZPROOA-HXUWFJFHSA-N 2 1 343.515 3.080 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164501233 1383193782 /nfs/dbraw/zinc/19/37/82/1383193782.db2.gz WSOMRWCGSOGSOE-HXUWFJFHSA-N 2 1 349.563 3.460 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531315 1383196939 /nfs/dbraw/zinc/19/69/39/1383196939.db2.gz CVQWYVZYDHQIFX-RTBURBONSA-N 2 1 349.563 3.173 20 0 EGADMP C[N@@H+]1CCC[C@@H](CCNc2c[nH+]c3c(Br)cccn23)C1 ZINC001165289417 1383266943 /nfs/dbraw/zinc/26/69/43/1383266943.db2.gz ANVOJMCWADHTRG-LBPRGKRZSA-N 2 1 337.265 3.241 20 0 EGADMP C[N@H+]1CCC[C@@H](CCNc2c[nH+]c3c(Br)cccn23)C1 ZINC001165289417 1383266944 /nfs/dbraw/zinc/26/69/44/1383266944.db2.gz ANVOJMCWADHTRG-LBPRGKRZSA-N 2 1 337.265 3.241 20 0 EGADMP CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165485123 1383301015 /nfs/dbraw/zinc/30/10/15/1383301015.db2.gz MRAYCMKYHOZQGI-HKUYNNGSSA-N 2 1 349.563 3.316 20 0 EGADMP O=C(NCCC1(C[NH2+]CC2CCCC2)CC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001165728959 1383334175 /nfs/dbraw/zinc/33/41/75/1383334175.db2.gz WQLTWNITTDKZTL-RTBURBONSA-N 2 1 347.547 3.070 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001165735552 1383335035 /nfs/dbraw/zinc/33/50/35/1383335035.db2.gz CPAQADDGAVMQKS-ZWKOTPCHSA-N 2 1 335.536 3.070 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001165809832 1383348475 /nfs/dbraw/zinc/34/84/75/1383348475.db2.gz PWBWQDKJACGYOP-FGTMMUONSA-N 2 1 349.563 3.029 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001165809486 1383348980 /nfs/dbraw/zinc/34/89/80/1383348980.db2.gz GYGZDVMLMWVBDX-UHFFFAOYSA-N 2 1 325.541 3.029 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+]Cc2ccc(C)cc2)CC1 ZINC001165809880 1383349273 /nfs/dbraw/zinc/34/92/73/1383349273.db2.gz REIDPLSRGVNMKH-UHFFFAOYSA-N 2 1 345.531 3.101 20 0 EGADMP C[N@@H+](CCC(=O)NCCC1(C[NH2+]CC2CCC2)CC1)C1CCCCC1 ZINC001166389733 1383417794 /nfs/dbraw/zinc/41/77/94/1383417794.db2.gz GIKSCIJTTZCAEB-UHFFFAOYSA-N 2 1 349.563 3.317 20 0 EGADMP CCC/C=C/CC[NH2+]CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001166687199 1383460878 /nfs/dbraw/zinc/46/08/78/1383460878.db2.gz IMAUOPJWGHSTIA-IHHMQQGQSA-N 2 1 341.515 3.041 20 0 EGADMP C[N@@H+](CC(=O)NCCC[NH2+]CC/C=C/c1ccccc1)CC(C)(C)C ZINC001166744244 1383469887 /nfs/dbraw/zinc/46/98/87/1383469887.db2.gz NIDKFMRHSAAKES-MDWZMJQESA-N 2 1 345.531 3.164 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001166750304 1383471332 /nfs/dbraw/zinc/47/13/32/1383471332.db2.gz CASSOAKPWWEEPS-SFHVURJKSA-N 2 1 347.547 3.438 20 0 EGADMP CC[C@H](C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001328782121 1388860326 /nfs/dbraw/zinc/86/03/26/1388860326.db2.gz WYHPOJIKDFGUIQ-FXAWDEMLSA-N 2 1 349.563 3.077 20 0 EGADMP CCC/C=C\CC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001167224932 1383570335 /nfs/dbraw/zinc/57/03/35/1383570335.db2.gz OAYRLZVZOQPWPE-XFHJGTJQSA-N 2 1 335.536 3.093 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NCCC2(C[NH2+]CCC3CCCC3)CC2)C1 ZINC001167241075 1383573455 /nfs/dbraw/zinc/57/34/55/1383573455.db2.gz ZBSXWXJSJVBFKE-UHFFFAOYSA-N 2 1 349.563 3.175 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001167385819 1383619068 /nfs/dbraw/zinc/61/90/68/1383619068.db2.gz UUWVBOGNTHBRIN-LJQANCHMSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167425761 1383630062 /nfs/dbraw/zinc/63/00/62/1383630062.db2.gz JODDEGIBZNWVFC-ROUUACIJSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001167472236 1383643441 /nfs/dbraw/zinc/64/34/41/1383643441.db2.gz VYSMTLOQQUMGBO-UHFFFAOYSA-N 2 1 334.508 3.073 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]C[C@@H](F)CC)CC1 ZINC001167470976 1383643494 /nfs/dbraw/zinc/64/34/94/1383643494.db2.gz MJEOQSZMXWDVJW-KRWDZBQOSA-N 2 1 343.531 3.123 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001167626654 1383692385 /nfs/dbraw/zinc/69/23/85/1383692385.db2.gz DSFOKFQFDDAZNI-IBGZPJMESA-N 2 1 337.552 3.316 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001167627213 1383692538 /nfs/dbraw/zinc/69/25/38/1383692538.db2.gz MBMYXLLBKUJDBH-FQEVSTJZSA-N 2 1 345.531 3.162 20 0 EGADMP CC[C@H]([NH2+]CC1(CCNC(=O)CC[N@@H+](C)CC)CC1)c1ccccc1 ZINC001167639566 1383695678 /nfs/dbraw/zinc/69/56/78/1383695678.db2.gz BXSWUGYLTJTTME-IBGZPJMESA-N 2 1 345.531 3.356 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001301660865 1383725423 /nfs/dbraw/zinc/72/54/23/1383725423.db2.gz HLGAFBJXZCHZKR-ZWKOTPCHSA-N 2 1 349.906 3.077 20 0 EGADMP CC1CCC(C[NH2+]CC2(CCNC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001167736654 1383726133 /nfs/dbraw/zinc/72/61/33/1383726133.db2.gz FJURVJVCZDAWSL-CTWPCTMYSA-N 2 1 349.563 3.031 20 0 EGADMP CC[NH+](CC)Cc1cc(OC)ccc1NCc1ccc(N)[nH+]c1C ZINC001167786639 1383740452 /nfs/dbraw/zinc/74/04/52/1383740452.db2.gz IEKYTUQFLOXQGF-UHFFFAOYSA-N 2 1 328.460 3.435 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001167823788 1383749324 /nfs/dbraw/zinc/74/93/24/1383749324.db2.gz ACEGULDDKAOEFP-IAGOWNOFSA-N 2 1 341.540 3.438 20 0 EGADMP CC(C)(C)OC(=O)NC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167961096 1383779597 /nfs/dbraw/zinc/77/95/97/1383779597.db2.gz FJKWBLLZBXHBIO-CSRJKQTDSA-N 2 1 349.519 3.037 20 0 EGADMP O=C(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)OCc1ccccc1 ZINC001167967932 1383781133 /nfs/dbraw/zinc/78/11/33/1383781133.db2.gz LPDPFMWDLQROLC-IHWFROFDSA-N 2 1 342.483 3.115 20 0 EGADMP CCOc1ccccc1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167968173 1383781843 /nfs/dbraw/zinc/78/18/43/1383781843.db2.gz NNKGIQAVBCYHDY-YQQQUEKLSA-N 2 1 344.499 3.459 20 0 EGADMP COC(=O)CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCCC1 ZINC001167973483 1383782287 /nfs/dbraw/zinc/78/22/87/1383782287.db2.gz LSCSACZKNQYVPP-AYHJJNSGSA-N 2 1 334.504 3.247 20 0 EGADMP C[N@H+]1CC[C@@H](c2ccc(-n3cc(CC[NH3+])c4cc(O)ccc43)cc2)C1 ZINC001167990054 1383788770 /nfs/dbraw/zinc/78/87/70/1383788770.db2.gz LNQXWWBZHHHEOD-MRXNPFEDSA-N 2 1 335.451 3.256 20 0 EGADMP C[C@@H]1CC([NH2+]Cc2ccc[nH]c2=O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168020154 1383798189 /nfs/dbraw/zinc/79/81/89/1383798189.db2.gz KWMTXKXGLLOJKY-HZPDHXFCSA-N 2 1 325.456 3.318 20 0 EGADMP C[C@@H]1CC([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168047045 1383803796 /nfs/dbraw/zinc/80/37/96/1383803796.db2.gz QEHWZUGVQGXXSS-UKAVVXHISA-N 3 1 341.543 3.312 20 0 EGADMP C[C@@H]1CC([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168047045 1383803800 /nfs/dbraw/zinc/80/38/00/1383803800.db2.gz QEHWZUGVQGXXSS-UKAVVXHISA-N 3 1 341.543 3.312 20 0 EGADMP C[C@@H]1CC([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168047045 1383803806 /nfs/dbraw/zinc/80/38/06/1383803806.db2.gz QEHWZUGVQGXXSS-UKAVVXHISA-N 3 1 341.543 3.312 20 0 EGADMP C[C@@H]1CC([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168047045 1383803810 /nfs/dbraw/zinc/80/38/10/1383803810.db2.gz QEHWZUGVQGXXSS-UKAVVXHISA-N 2 1 341.543 3.312 20 0 EGADMP C[C@@H]1CC([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168047045 1383803816 /nfs/dbraw/zinc/80/38/16/1383803816.db2.gz QEHWZUGVQGXXSS-UKAVVXHISA-N 2 1 341.543 3.312 20 0 EGADMP C[C@@H]1CC([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168047045 1383803819 /nfs/dbraw/zinc/80/38/19/1383803819.db2.gz QEHWZUGVQGXXSS-UKAVVXHISA-N 2 1 341.543 3.312 20 0 EGADMP C[C@@H]1CC([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168047045 1383803824 /nfs/dbraw/zinc/80/38/24/1383803824.db2.gz QEHWZUGVQGXXSS-UKAVVXHISA-N 2 1 341.543 3.312 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[NH+]3CCC[C@@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168053570 1383805378 /nfs/dbraw/zinc/80/53/78/1383805378.db2.gz PEPRNIKMEKYHNU-KOUHRCEDSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[N@@H+]3CCC[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053570 1383805389 /nfs/dbraw/zinc/80/53/89/1383805389.db2.gz PEPRNIKMEKYHNU-KOUHRCEDSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[N@H+]3CCC[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053570 1383805396 /nfs/dbraw/zinc/80/53/96/1383805396.db2.gz PEPRNIKMEKYHNU-KOUHRCEDSA-N 2 1 327.516 3.208 20 0 EGADMP COC(=O)CC[N@H+](C1CC1)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168058597 1383807331 /nfs/dbraw/zinc/80/73/31/1383807331.db2.gz QJAPFEMOZBNWHJ-IRXDYDNUSA-N 2 1 344.499 3.456 20 0 EGADMP COC(=O)CC[N@@H+](C1CC1)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168058597 1383807335 /nfs/dbraw/zinc/80/73/35/1383807335.db2.gz QJAPFEMOZBNWHJ-IRXDYDNUSA-N 2 1 344.499 3.456 20 0 EGADMP C[C@@H]1C[C@@H](N(C)CC[NH+]2CCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168064312 1383807907 /nfs/dbraw/zinc/80/79/07/1383807907.db2.gz QBRMUBQVYUVMQP-CEQLMSFQSA-N 2 1 329.532 3.456 20 0 EGADMP COc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCO[C@H](C)C1 ZINC001168091822 1383814904 /nfs/dbraw/zinc/81/49/04/1383814904.db2.gz BPQLIBQUNKULTN-NXWXRZEISA-N 2 1 332.488 3.335 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)CC1 ZINC001168321695 1383872334 /nfs/dbraw/zinc/87/23/34/1383872334.db2.gz KLOQGJZYBFPHJS-LADRWXRNSA-N 2 1 347.528 3.050 20 0 EGADMP COc1cc(C[N@@H+](C)C2CCC([NH+](C)C)CC2)cc(OC)c1OC ZINC001168326557 1383873172 /nfs/dbraw/zinc/87/31/72/1383873172.db2.gz BCESQBDVIRZCFS-UHFFFAOYSA-N 2 1 336.476 3.017 20 0 EGADMP CC1(C)C[C@H](CNc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)O1 ZINC001168451973 1383909511 /nfs/dbraw/zinc/90/95/11/1383909511.db2.gz CPPAXSVUPROMPX-JKSUJKDBSA-N 2 1 328.460 3.330 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001168463356 1383913030 /nfs/dbraw/zinc/91/30/30/1383913030.db2.gz RHOPCRATHQOWKO-UHFFFAOYSA-N 2 1 345.531 3.185 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001168463356 1383913033 /nfs/dbraw/zinc/91/30/33/1383913033.db2.gz RHOPCRATHQOWKO-UHFFFAOYSA-N 2 1 345.531 3.185 20 0 EGADMP COc1ccc([C@@H]2C[C@@H]([NH2+]CC[C@H]3CCC[N@@H+](C)C3)CCO2)cc1 ZINC001168591183 1383943710 /nfs/dbraw/zinc/94/37/10/1383943710.db2.gz UDLUZZYTWQOEJP-KPFFTGBYSA-N 2 1 332.488 3.237 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC001307421526 1383986971 /nfs/dbraw/zinc/98/69/71/1383986971.db2.gz UDRXJWMOGANAEC-RBUKOAKNSA-N 2 1 338.536 3.410 20 0 EGADMP COC(=O)C1(C)CCC([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001168767589 1383996463 /nfs/dbraw/zinc/99/64/63/1383996463.db2.gz KKJFZQVDDFFNKP-UHFFFAOYSA-N 2 1 348.462 3.197 20 0 EGADMP [NH3+][C@@H]1CCc2nn(-c3ccc4c(c3)C[N@H+](Cc3ccccc3)C4)cc2C1 ZINC001168819224 1384017250 /nfs/dbraw/zinc/01/72/50/1384017250.db2.gz XABNTLHWRXJSJV-HXUWFJFHSA-N 2 1 344.462 3.204 20 0 EGADMP Cc1ccccc1CC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001307794932 1384033844 /nfs/dbraw/zinc/03/38/44/1384033844.db2.gz SLHPCBOUBDKILM-QFIPXVFZSA-N 2 1 338.495 3.106 20 0 EGADMP Cc1ccccc1CC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001307794932 1384033850 /nfs/dbraw/zinc/03/38/50/1384033850.db2.gz SLHPCBOUBDKILM-QFIPXVFZSA-N 2 1 338.495 3.106 20 0 EGADMP Cc1ccccc1CC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001307794932 1384033853 /nfs/dbraw/zinc/03/38/53/1384033853.db2.gz SLHPCBOUBDKILM-QFIPXVFZSA-N 2 1 338.495 3.106 20 0 EGADMP Cc1ccccc1CC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001307794932 1384033858 /nfs/dbraw/zinc/03/38/58/1384033858.db2.gz SLHPCBOUBDKILM-QFIPXVFZSA-N 2 1 338.495 3.106 20 0 EGADMP Clc1ccc(N2CC[NH+](CCC[N@@H+]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC001307951034 1384062239 /nfs/dbraw/zinc/06/22/39/1384062239.db2.gz FPYLYTBKCCOOES-IAGOWNOFSA-N 2 1 333.907 3.194 20 0 EGADMP Clc1ccc(N2CC[NH+](CCC[N@H+]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC001307951034 1384062243 /nfs/dbraw/zinc/06/22/43/1384062243.db2.gz FPYLYTBKCCOOES-IAGOWNOFSA-N 2 1 333.907 3.194 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccccc3F)CC1)C2 ZINC001169089816 1384105407 /nfs/dbraw/zinc/10/54/07/1384105407.db2.gz GFBWTLRKXJCEOC-REPLKXPHSA-N 2 1 331.479 3.005 20 0 EGADMP CC(C)C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)NC(=O)OC(C)(C)C ZINC001169108694 1384108213 /nfs/dbraw/zinc/10/82/13/1384108213.db2.gz VPYBDEAPGDXIDB-NXOAAHMSSA-N 2 1 339.524 3.141 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCN(Cc3ccc(Cl)cc3)C1)C2 ZINC001169109461 1384108929 /nfs/dbraw/zinc/10/89/29/1384108929.db2.gz IUDJJRGSFUTOAC-CADBVGFASA-N 2 1 333.907 3.129 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1cc(Br)cs1)C2 ZINC001169124357 1384110513 /nfs/dbraw/zinc/11/05/13/1384110513.db2.gz QFDQBMKLKUYWOH-XYYAHUGASA-N 2 1 329.307 3.268 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1[C@@H]3CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C3)C2 ZINC001169141653 1384112710 /nfs/dbraw/zinc/11/27/10/1384112710.db2.gz RPOJNAYAYFFOQT-OXTHGAJESA-N 2 1 349.519 3.132 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1[C@@H]3CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C3)C2 ZINC001169141653 1384112711 /nfs/dbraw/zinc/11/27/11/1384112711.db2.gz RPOJNAYAYFFOQT-OXTHGAJESA-N 2 1 349.519 3.132 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1[C@@H]3CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C3)C2 ZINC001169141653 1384112713 /nfs/dbraw/zinc/11/27/13/1384112713.db2.gz RPOJNAYAYFFOQT-OXTHGAJESA-N 2 1 349.519 3.132 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1[C@@H]3CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C3)C2 ZINC001169141653 1384112716 /nfs/dbraw/zinc/11/27/16/1384112716.db2.gz RPOJNAYAYFFOQT-OXTHGAJESA-N 2 1 349.519 3.132 20 0 EGADMP CC1(C)c2c[nH+]c(N[C@@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)cc2NC1=O ZINC001169141449 1384113021 /nfs/dbraw/zinc/11/30/21/1384113021.db2.gz JJAQADSPSWMIEA-BLVKFPJESA-N 2 1 330.476 3.267 20 0 EGADMP COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147018 1384115025 /nfs/dbraw/zinc/11/50/25/1384115025.db2.gz RFTBNWCSMDXUTH-GDAAHCPNSA-N 2 1 332.488 3.157 20 0 EGADMP COC[C@H](C)[NH+](Cc1cccc(OC)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169147018 1384115027 /nfs/dbraw/zinc/11/50/27/1384115027.db2.gz RFTBNWCSMDXUTH-GDAAHCPNSA-N 2 1 332.488 3.157 20 0 EGADMP COC[C@H](C)[NH+](Cc1cccc(OC)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147018 1384115030 /nfs/dbraw/zinc/11/50/30/1384115030.db2.gz RFTBNWCSMDXUTH-GDAAHCPNSA-N 2 1 332.488 3.157 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160491 1384117467 /nfs/dbraw/zinc/11/74/67/1384117467.db2.gz GQVFRIFIDIUVAJ-YCXYWVQESA-N 2 1 327.516 3.206 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169160491 1384117468 /nfs/dbraw/zinc/11/74/68/1384117468.db2.gz GQVFRIFIDIUVAJ-YCXYWVQESA-N 2 1 327.516 3.206 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169160491 1384117470 /nfs/dbraw/zinc/11/74/70/1384117470.db2.gz GQVFRIFIDIUVAJ-YCXYWVQESA-N 2 1 327.516 3.206 20 0 EGADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169162026 1384117635 /nfs/dbraw/zinc/11/76/35/1384117635.db2.gz RRNDZLUFVLLOAI-FCGDIQPGSA-N 2 1 328.456 3.235 20 0 EGADMP COC(=O)c1cccc([C@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169162026 1384117637 /nfs/dbraw/zinc/11/76/37/1384117637.db2.gz RRNDZLUFVLLOAI-FCGDIQPGSA-N 2 1 328.456 3.235 20 0 EGADMP COC(=O)c1cccc([C@H]2CCC[NH+]2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169162026 1384117639 /nfs/dbraw/zinc/11/76/39/1384117639.db2.gz RRNDZLUFVLLOAI-FCGDIQPGSA-N 2 1 328.456 3.235 20 0 EGADMP Cc1ccc2ncc(C[NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)n2c1 ZINC001308368618 1384122465 /nfs/dbraw/zinc/12/24/65/1384122465.db2.gz YRACMMCQHOAQGJ-IAGOWNOFSA-N 2 1 326.488 3.385 20 0 EGADMP CC[NH+]1CCC([NH2+]C2(CC)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001169240537 1384126285 /nfs/dbraw/zinc/12/62/85/1384126285.db2.gz KXNQCECHSBHMJC-UHFFFAOYSA-N 2 1 339.524 3.240 20 0 EGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC001308802582 1384150989 /nfs/dbraw/zinc/15/09/89/1384150989.db2.gz UXUOBUNIAPJQLT-ARFHVFGLSA-N 2 1 348.478 3.454 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC001308802582 1384150990 /nfs/dbraw/zinc/15/09/90/1384150990.db2.gz UXUOBUNIAPJQLT-ARFHVFGLSA-N 2 1 348.478 3.454 20 0 EGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)C(=O)OCC)C1 ZINC001308802584 1384151037 /nfs/dbraw/zinc/15/10/37/1384151037.db2.gz UXUOBUNIAPJQLT-JYJNAYRXSA-N 2 1 348.478 3.454 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)C(=O)OCC)C1 ZINC001308802584 1384151039 /nfs/dbraw/zinc/15/10/39/1384151039.db2.gz UXUOBUNIAPJQLT-JYJNAYRXSA-N 2 1 348.478 3.454 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001169490653 1384154280 /nfs/dbraw/zinc/15/42/80/1384154280.db2.gz UJLQTPQDIIAVRP-KRWDZBQOSA-N 2 1 337.552 3.362 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc(CC[NH3+])c3ncccc32)nc1 ZINC001169704668 1384175374 /nfs/dbraw/zinc/17/53/74/1384175374.db2.gz FCBZPGHMOHNNFJ-INIZCTEOSA-N 2 1 349.482 3.296 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2CCCN(C(=O)OCC)CC2)CC1 ZINC001169712903 1384176586 /nfs/dbraw/zinc/17/65/86/1384176586.db2.gz HEFMDGHYXTZYOB-KRWDZBQOSA-N 2 1 339.524 3.194 20 0 EGADMP CC[NH+](CC)Cc1c(Br)cccc1N(C)C(C)(C)C[NH3+] ZINC001170059766 1384227066 /nfs/dbraw/zinc/22/70/66/1384227066.db2.gz ATPNWDPXLXERSY-UHFFFAOYSA-N 2 1 342.325 3.464 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC001170072325 1384228996 /nfs/dbraw/zinc/22/89/96/1384228996.db2.gz JRENIETXZXYUNB-AZUAARDMSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC001170072325 1384228998 /nfs/dbraw/zinc/22/89/98/1384228998.db2.gz JRENIETXZXYUNB-AZUAARDMSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)C1 ZINC001170145028 1384247802 /nfs/dbraw/zinc/24/78/02/1384247802.db2.gz RMCJOPTZVQROQW-QUCCMNQESA-N 2 1 343.515 3.185 20 0 EGADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)C1 ZINC001170145899 1384248640 /nfs/dbraw/zinc/24/86/40/1384248640.db2.gz WUZRDQUUGFMOMR-UYAOXDASSA-N 2 1 343.515 3.185 20 0 EGADMP CCCCCC[C@@H](CC)[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001170601751 1384348325 /nfs/dbraw/zinc/34/83/25/1384348325.db2.gz RSBVXVCESGVDBN-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001170741351 1384376320 /nfs/dbraw/zinc/37/63/20/1384376320.db2.gz DWVMHGIDNPZZKK-AZUAARDMSA-N 2 1 345.531 3.324 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1 ZINC001170752046 1384378977 /nfs/dbraw/zinc/37/89/77/1384378977.db2.gz WTIYSRXNSIJBHV-IEBWSBKVSA-N 2 1 337.552 3.314 20 0 EGADMP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@H]2C[C@@H]4[C@H](C2)C4(C)C)CC3)cn1 ZINC001170752855 1384379797 /nfs/dbraw/zinc/37/97/97/1384379797.db2.gz KWSVMFGZGVHZDF-REPLKXPHSA-N 2 1 342.531 3.285 20 0 EGADMP CCC/C=C/CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001170785731 1384385391 /nfs/dbraw/zinc/38/53/91/1384385391.db2.gz WAEIEUPHINXRIM-IHHMQQGQSA-N 2 1 337.552 3.483 20 0 EGADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170795294 1384387013 /nfs/dbraw/zinc/38/70/13/1384387013.db2.gz JWKNKBSRUORANQ-QZTJIDSGSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170864070 1384400903 /nfs/dbraw/zinc/40/09/03/1384400903.db2.gz ZYSBWXBULRVXDR-ZHALLVOQSA-N 2 1 335.536 3.092 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170863388 1384400926 /nfs/dbraw/zinc/40/09/26/1384400926.db2.gz WHQNXNPKFBWOMO-UUAOQSGWSA-N 2 1 337.552 3.338 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC001313445464 1384424260 /nfs/dbraw/zinc/42/42/60/1384424260.db2.gz WDCHMJAPVFJWNN-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C ZINC001171119905 1384449129 /nfs/dbraw/zinc/44/91/29/1384449129.db2.gz KOVDKPQKFXILSQ-MSOLQXFVSA-N 2 1 325.541 3.172 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001316603561 1384471700 /nfs/dbraw/zinc/47/17/00/1384471700.db2.gz QEFWDJGOIFDPCQ-PXNSSMCTSA-N 2 1 343.515 3.012 20 0 EGADMP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171245719 1384477572 /nfs/dbraw/zinc/47/75/72/1384477572.db2.gz BFLJGWOOHKGLJE-VMLVWOMUSA-N 2 1 346.519 3.381 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171254887 1384479866 /nfs/dbraw/zinc/47/98/66/1384479866.db2.gz VPNMNVXYXXVJTF-DLBZAZTESA-N 2 1 334.508 3.071 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171330819 1384496096 /nfs/dbraw/zinc/49/60/96/1384496096.db2.gz VIOFDZFBLFRSQU-MJGOQNOKSA-N 2 1 337.552 3.316 20 0 EGADMP Cc1c[nH+]ccc1N1CC[NH+]([C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171382841 1384508140 /nfs/dbraw/zinc/50/81/40/1384508140.db2.gz NKNNHYCBOYGBSD-QGZVFWFLSA-N 2 1 343.421 3.348 20 0 EGADMP [NH3+]Cc1nccnc1Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001171448535 1384526725 /nfs/dbraw/zinc/52/67/25/1384526725.db2.gz ABUKZLJTLRLNBE-UHFFFAOYSA-N 2 1 331.423 3.195 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171547533 1384559425 /nfs/dbraw/zinc/55/94/25/1384559425.db2.gz UVVJCXZTJNJHBL-FUHWJXTLSA-N 2 1 325.541 3.172 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171547532 1384559626 /nfs/dbraw/zinc/55/96/26/1384559626.db2.gz UVVJCXZTJNJHBL-AEFFLSMTSA-N 2 1 325.541 3.172 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171586585 1384572477 /nfs/dbraw/zinc/57/24/77/1384572477.db2.gz PULUDGSMAPMQQB-MRXNPFEDSA-N 2 1 327.557 3.418 20 0 EGADMP Cc1cnc(N2CC[NH+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)s1 ZINC001171639966 1384588566 /nfs/dbraw/zinc/58/85/66/1384588566.db2.gz XDKBNOIWGQBAEG-UHFFFAOYSA-N 2 1 336.549 3.225 20 0 EGADMP CCc1noc([C@H]2CCC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)n1 ZINC001171643924 1384590498 /nfs/dbraw/zinc/59/04/98/1384590498.db2.gz XYMQBNFGPPWIOI-AWEZNQCLSA-N 2 1 334.508 3.463 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CC[C@@H]1CCC[C@H](C)C1 ZINC001171731888 1384618566 /nfs/dbraw/zinc/61/85/66/1384618566.db2.gz PMNFPHSRSYQQIU-ROUUACIJSA-N 2 1 325.541 3.031 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CN1Cc1ccccc1 ZINC001171739739 1384620864 /nfs/dbraw/zinc/62/08/64/1384620864.db2.gz GARXYAASIQKNIJ-HLAWJBBLSA-N 2 1 329.532 3.490 20 0 EGADMP C[C@H]1C[C@@H](N2CC[NH+](CC3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171763205 1384628253 /nfs/dbraw/zinc/62/82/53/1384628253.db2.gz OTKIATNODJLMBE-SIKLNZKXSA-N 2 1 341.543 3.457 20 0 EGADMP CC(C)N([C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001171766738 1384630550 /nfs/dbraw/zinc/63/05/50/1384630550.db2.gz HCBIOLSCOWQVEH-NQIIRXRSSA-N 2 1 329.532 3.454 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)[C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171788587 1384637726 /nfs/dbraw/zinc/63/77/26/1384637726.db2.gz SAKISWHZPBWVNS-GUDVDZBRSA-N 2 1 339.458 3.460 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171829348 1384653202 /nfs/dbraw/zinc/65/32/02/1384653202.db2.gz YHJWWDUQVOEVIU-MRXNPFEDSA-N 2 1 348.491 3.103 20 0 EGADMP CC1(C)C[C@H](n2cc3c(n2)CC[C@@H]([NH3+])C3)CC[N@H+]1Cc1ccccc1 ZINC001171981692 1384701697 /nfs/dbraw/zinc/70/16/97/1384701697.db2.gz CKCCEFOHSKJCHD-RTBURBONSA-N 2 1 338.499 3.315 20 0 EGADMP CN(C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977793 1384702286 /nfs/dbraw/zinc/70/22/86/1384702286.db2.gz UMTXGQJRLHIRHX-FQEVSTJZSA-N 2 1 329.532 3.456 20 0 EGADMP CC1(C)C[C@H](N2CC([NH+]3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171984603 1384703385 /nfs/dbraw/zinc/70/33/85/1384703385.db2.gz NQZHAKABAJPSQN-LJQANCHMSA-N 2 1 327.516 3.210 20 0 EGADMP Cc1c(CC[NH3+])c(=O)[nH]n1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984228 1384704061 /nfs/dbraw/zinc/70/40/61/1384704061.db2.gz TZDYKUXAXHHAHK-QGZVFWFLSA-N 2 1 342.487 3.014 20 0 EGADMP C[N@H+]1CC[C@]2(CCN([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987318 1384705842 /nfs/dbraw/zinc/70/58/42/1384705842.db2.gz UFQLTCSOTJXBND-UNMCSNQZSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+]1CC[C@]2(CCN([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987318 1384705844 /nfs/dbraw/zinc/70/58/44/1384705844.db2.gz UFQLTCSOTJXBND-UNMCSNQZSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+]1CC[C@]2(CCN([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987318 1384705845 /nfs/dbraw/zinc/70/58/45/1384705845.db2.gz UFQLTCSOTJXBND-UNMCSNQZSA-N 2 1 341.543 3.457 20 0 EGADMP COC(=O)[C@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1C ZINC001171989239 1384706790 /nfs/dbraw/zinc/70/67/90/1384706790.db2.gz BDSCLPWHDGWQIM-WDSOQIARSA-N 2 1 344.499 3.171 20 0 EGADMP COC(=O)[C@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1C ZINC001171989239 1384706793 /nfs/dbraw/zinc/70/67/93/1384706793.db2.gz BDSCLPWHDGWQIM-WDSOQIARSA-N 2 1 344.499 3.171 20 0 EGADMP COC(=O)[C@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1C ZINC001171989239 1384706796 /nfs/dbraw/zinc/70/67/96/1384706796.db2.gz BDSCLPWHDGWQIM-WDSOQIARSA-N 2 1 344.499 3.171 20 0 EGADMP C[C@@]1(O)C[C@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172066357 1384716507 /nfs/dbraw/zinc/71/65/07/1384716507.db2.gz WDDIBCCMWSWDPU-CMMDMPAISA-N 2 1 328.500 3.323 20 0 EGADMP COCCOCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065422 1384716686 /nfs/dbraw/zinc/71/66/86/1384716686.db2.gz LMVGJAGDIPEYNN-WKCHPHFGSA-N 2 1 346.515 3.215 20 0 EGADMP COC(=O)CC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076907 1384719651 /nfs/dbraw/zinc/71/96/51/1384719651.db2.gz AYNHBIRSLUBGEC-BWTSREIZSA-N 2 1 330.472 3.067 20 0 EGADMP COC(=O)CC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076907 1384719662 /nfs/dbraw/zinc/71/96/62/1384719662.db2.gz AYNHBIRSLUBGEC-BWTSREIZSA-N 2 1 330.472 3.067 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CCCC24COC4)C3)cc1 ZINC001172075378 1384720491 /nfs/dbraw/zinc/72/04/91/1384720491.db2.gz QHJBCWRAOCUEMJ-PMOLBWCYSA-N 2 1 326.484 3.437 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]CCc2ncccn2)C3)cc1 ZINC001172073447 1384720697 /nfs/dbraw/zinc/72/06/97/1384720697.db2.gz RCVUSAQSXVUHRA-OWZKRDHZSA-N 2 1 336.483 3.194 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)C2 ZINC001172098977 1384726149 /nfs/dbraw/zinc/72/61/49/1384726149.db2.gz HPMOJTMCEQUBMX-QDMKHBRRSA-N 2 1 343.393 3.128 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccccc3F)CC1)C2 ZINC001172103580 1384727049 /nfs/dbraw/zinc/72/70/49/1384727049.db2.gz WAEQVSHSTIQMBX-ACDBMABISA-N 2 1 345.506 3.395 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccccc3F)CC1)C2 ZINC001172103580 1384727051 /nfs/dbraw/zinc/72/70/51/1384727051.db2.gz WAEQVSHSTIQMBX-ACDBMABISA-N 2 1 345.506 3.395 20 0 EGADMP COc1cccc2c1SC[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172108451 1384728310 /nfs/dbraw/zinc/72/83/10/1384728310.db2.gz AIDSRCZZPAQEDU-VQHPVUNQSA-N 2 1 332.513 3.317 20 0 EGADMP COc1cccc2c1SC[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172108451 1384728321 /nfs/dbraw/zinc/72/83/21/1384728321.db2.gz AIDSRCZZPAQEDU-VQHPVUNQSA-N 2 1 332.513 3.317 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)C)CC1)C2 ZINC001172110405 1384729724 /nfs/dbraw/zinc/72/97/24/1384729724.db2.gz MFMOOXUXDXQXIB-BGRQEXKUSA-N 2 1 335.536 3.065 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)C)CC1)C2 ZINC001172110405 1384729730 /nfs/dbraw/zinc/72/97/30/1384729730.db2.gz MFMOOXUXDXQXIB-BGRQEXKUSA-N 2 1 335.536 3.065 20 0 EGADMP COc1cc2c(cc1OC)C[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172110626 1384730151 /nfs/dbraw/zinc/73/01/51/1384730151.db2.gz PGXJJEFFTFFRIW-AKHDSKFASA-N 2 1 344.499 3.166 20 0 EGADMP COc1cc2c(cc1OC)C[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172110626 1384730153 /nfs/dbraw/zinc/73/01/53/1384730153.db2.gz PGXJJEFFTFFRIW-AKHDSKFASA-N 2 1 344.499 3.166 20 0 EGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112549 1384731549 /nfs/dbraw/zinc/73/15/49/1384731549.db2.gz XLIFKXJWHBDINA-WARAAXDBSA-N 2 1 342.531 3.169 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112549 1384731552 /nfs/dbraw/zinc/73/15/52/1384731552.db2.gz XLIFKXJWHBDINA-WARAAXDBSA-N 3 1 342.531 3.169 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112549 1384731555 /nfs/dbraw/zinc/73/15/55/1384731555.db2.gz XLIFKXJWHBDINA-WARAAXDBSA-N 3 1 342.531 3.169 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112549 1384731558 /nfs/dbraw/zinc/73/15/58/1384731558.db2.gz XLIFKXJWHBDINA-WARAAXDBSA-N 3 1 342.531 3.169 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172112549 1384731559 /nfs/dbraw/zinc/73/15/59/1384731559.db2.gz XLIFKXJWHBDINA-WARAAXDBSA-N 3 1 342.531 3.169 20 0 EGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](Cc1cccnc1)C1CCOCC1)C2 ZINC001172125317 1384735436 /nfs/dbraw/zinc/73/54/36/1384735436.db2.gz PJPVWSITJCVKAD-PMOLBWCYSA-N 2 1 329.488 3.078 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](Cc1cccnc1)C1CCOCC1)C2 ZINC001172125317 1384735439 /nfs/dbraw/zinc/73/54/39/1384735439.db2.gz PJPVWSITJCVKAD-PMOLBWCYSA-N 2 1 329.488 3.078 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](Cc1cccnc1)C1CCOCC1)C2 ZINC001172125317 1384735443 /nfs/dbraw/zinc/73/54/43/1384735443.db2.gz PJPVWSITJCVKAD-PMOLBWCYSA-N 2 1 329.488 3.078 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](Cc1cccnc1)C1CCOCC1)C2 ZINC001172125317 1384735447 /nfs/dbraw/zinc/73/54/47/1384735447.db2.gz PJPVWSITJCVKAD-PMOLBWCYSA-N 2 1 329.488 3.078 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](Cc1cccnc1)C1CCOCC1)C2 ZINC001172125317 1384735450 /nfs/dbraw/zinc/73/54/50/1384735450.db2.gz PJPVWSITJCVKAD-PMOLBWCYSA-N 2 1 329.488 3.078 20 0 EGADMP CC(C)[N@H+](CCNC(=O)OC(C)(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127614 1384735895 /nfs/dbraw/zinc/73/58/95/1384735895.db2.gz JZIWXHWIPUZLSZ-BJWYYQGGSA-N 2 1 339.524 3.237 20 0 EGADMP CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127614 1384735900 /nfs/dbraw/zinc/73/59/00/1384735900.db2.gz JZIWXHWIPUZLSZ-BJWYYQGGSA-N 2 1 339.524 3.237 20 0 EGADMP CC(C)[NH+](CCNC(=O)OC(C)(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127614 1384735904 /nfs/dbraw/zinc/73/59/04/1384735904.db2.gz JZIWXHWIPUZLSZ-BJWYYQGGSA-N 2 1 339.524 3.237 20 0 EGADMP CC(C)[NH+](CCNC(=O)OC(C)(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127614 1384735906 /nfs/dbraw/zinc/73/59/06/1384735906.db2.gz JZIWXHWIPUZLSZ-BJWYYQGGSA-N 2 1 339.524 3.237 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CC=C(c3ccc(OC)cc3)CC2)CC1 ZINC001172254574 1384756609 /nfs/dbraw/zinc/75/66/09/1384756609.db2.gz RGRSSBBZQSINTE-UHFFFAOYSA-N 2 1 344.499 3.285 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CC=C(c3ccc(OC)cc3)CC2)CC1 ZINC001172254574 1384756612 /nfs/dbraw/zinc/75/66/12/1384756612.db2.gz RGRSSBBZQSINTE-UHFFFAOYSA-N 2 1 344.499 3.285 20 0 EGADMP CC[C@@H](C)OCC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001172318530 1384768667 /nfs/dbraw/zinc/76/86/67/1384768667.db2.gz JPROOAQOQHVJQI-ZWKOTPCHSA-N 2 1 334.504 3.202 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001172792955 1384853169 /nfs/dbraw/zinc/85/31/69/1384853169.db2.gz VMBHZUSMEXKRPL-CEXWTWQISA-N 2 1 336.520 3.449 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])CC1 ZINC001172797130 1384854644 /nfs/dbraw/zinc/85/46/44/1384854644.db2.gz GMOMELLYFLTCIR-QXAKKESOSA-N 2 1 332.488 3.205 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H](N(c2cccc(C)[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001172804258 1384856014 /nfs/dbraw/zinc/85/60/14/1384856014.db2.gz UCWOIMKQEASUIJ-SJORKVTESA-N 2 1 345.487 3.070 20 0 EGADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172856218 1384866091 /nfs/dbraw/zinc/86/60/91/1384866091.db2.gz FRPPJMHWSADCAG-RCBQFDQVSA-N 2 1 340.870 3.381 20 0 EGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001172962364 1384891081 /nfs/dbraw/zinc/89/10/81/1384891081.db2.gz FIPMHNNNPOSQFG-BBWFWOEESA-N 2 1 341.540 3.340 20 0 EGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)n1cc[nH+]c1CCC[NH3+] ZINC001173090253 1384912233 /nfs/dbraw/zinc/91/22/33/1384912233.db2.gz JJTCMGLXGSANLU-GFCCVEGCSA-N 2 1 327.350 3.477 20 0 EGADMP CC[NH+](CC)C1CCC([NH2+][C@@H](CCc2ccccc2)C(=O)OC)CC1 ZINC001173104480 1384915470 /nfs/dbraw/zinc/91/54/70/1384915470.db2.gz QMWRLUANMYRPCW-MHJFOBGBSA-N 2 1 346.515 3.403 20 0 EGADMP [NH3+]C1(Cc2ccccc2)CC[NH+](C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173477347 1384977333 /nfs/dbraw/zinc/97/73/33/1384977333.db2.gz LRHOAQVCYFFCBQ-UHFFFAOYSA-N 2 1 342.433 3.468 20 0 EGADMP Cc1cc(C[NH2+]C2CCC(NC(=O)C[N@H+](C)C3CCC3)CC2)cs1 ZINC001317216805 1384996953 /nfs/dbraw/zinc/99/69/53/1384996953.db2.gz HPHXMCQVFHBZEB-UHFFFAOYSA-N 2 1 349.544 3.058 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CCC([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001317222651 1385003209 /nfs/dbraw/zinc/00/32/09/1385003209.db2.gz GVEXNXXAEWGFOI-GTPINHCMSA-N 2 1 349.494 3.246 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173743731 1385012714 /nfs/dbraw/zinc/01/27/14/1385012714.db2.gz MPKXUWSQJHPJMB-NXWXRZEISA-N 2 1 346.523 3.061 20 0 EGADMP Cc1cc(C)c(C[N@@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C(C)C)c(C)c1 ZINC001317445586 1385145790 /nfs/dbraw/zinc/14/57/90/1385145790.db2.gz CKLBAUDNWWQSBW-HXUWFJFHSA-N 2 1 345.531 3.033 20 0 EGADMP Cc1cc(C)c(C[N@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C(C)C)c(C)c1 ZINC001317445586 1385145792 /nfs/dbraw/zinc/14/57/92/1385145792.db2.gz CKLBAUDNWWQSBW-HXUWFJFHSA-N 2 1 345.531 3.033 20 0 EGADMP CC[C@H](C(=O)NCC[N@@H+](C)[C@H](CC)c1ccc(Cl)cc1)[NH+](C)C ZINC001317449411 1385149937 /nfs/dbraw/zinc/14/99/37/1385149937.db2.gz PZIJFIPCEMLDDK-IAGOWNOFSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC=C(C)C)C1 ZINC001174882817 1385165006 /nfs/dbraw/zinc/16/50/06/1385165006.db2.gz XOPJIEBZRVMDCR-MOPGFXCFSA-N 2 1 337.552 3.339 20 0 EGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C)CC2 ZINC001174929211 1385171379 /nfs/dbraw/zinc/17/13/79/1385171379.db2.gz PBWCZUCPSKECIP-AEFFLSMTSA-N 2 1 348.535 3.065 20 0 EGADMP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175256912 1385231041 /nfs/dbraw/zinc/23/10/41/1385231041.db2.gz QLKOOQUYCBAJEM-QZTJIDSGSA-N 2 1 337.552 3.316 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001175262989 1385233458 /nfs/dbraw/zinc/23/34/58/1385233458.db2.gz MNPHVNTUTILHCN-RBUKOAKNSA-N 2 1 345.531 3.101 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175262572 1385233501 /nfs/dbraw/zinc/23/35/01/1385233501.db2.gz HQYCDLICEIWEDN-QZTJIDSGSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175273984 1385238080 /nfs/dbraw/zinc/23/80/80/1385238080.db2.gz ZDZJVCVLFBDJTN-GOSISDBHSA-N 2 1 339.568 3.419 20 0 EGADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@@H](O)Cc2ccccc2)CC1 ZINC001175352700 1385263504 /nfs/dbraw/zinc/26/35/04/1385263504.db2.gz QQLMDZGZVNOOJJ-SFTDATJTSA-N 2 1 330.516 3.176 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175703627 1385377886 /nfs/dbraw/zinc/37/78/86/1385377886.db2.gz HWZCEMUWDIIBHE-IAGOWNOFSA-N 2 1 336.524 3.282 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001175704228 1385378532 /nfs/dbraw/zinc/37/85/32/1385378532.db2.gz SRUXRDYUJRAWFB-KRWDZBQOSA-N 2 1 348.535 3.427 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC1CCC(C)CC1 ZINC001176024826 1385464361 /nfs/dbraw/zinc/46/43/61/1385464361.db2.gz SINSEXUJXHMJNZ-JLAWEPINSA-N 2 1 339.568 3.419 20 0 EGADMP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176166144 1385500683 /nfs/dbraw/zinc/50/06/83/1385500683.db2.gz QCDGAJLVEUTYSI-RBUKOAKNSA-N 2 1 345.531 3.101 20 0 EGADMP Nc1cc[nH+]c(-c2cc(Nc3cccc(C[NH+]4CCCC4)c3)ccn2)c1 ZINC001176194792 1385508872 /nfs/dbraw/zinc/50/88/72/1385508872.db2.gz NQLPZRMASISAPY-UHFFFAOYSA-N 2 1 345.450 3.487 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)cc1 ZINC001176256321 1385529512 /nfs/dbraw/zinc/52/95/12/1385529512.db2.gz BBJPAGFJVABSLJ-IBGZPJMESA-N 2 1 347.547 3.492 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC(CC)CC ZINC001176269748 1385533654 /nfs/dbraw/zinc/53/36/54/1385533654.db2.gz XGADZNICJKUMLP-QGZVFWFLSA-N 2 1 327.557 3.419 20 0 EGADMP COCC[C@H](c1ccccc1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001176280333 1385537848 /nfs/dbraw/zinc/53/78/48/1385537848.db2.gz AGYQLFXIYMMRKP-FXAWDEMLSA-N 2 1 325.456 3.370 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317945083 1385581137 /nfs/dbraw/zinc/58/11/37/1385581137.db2.gz WOCKXFZPJOBODU-QRVBRYPASA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001318046393 1385616789 /nfs/dbraw/zinc/61/67/89/1385616789.db2.gz AVBRQQUFCDKRNY-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)C1)Cc1ccccc1 ZINC001318309548 1385648820 /nfs/dbraw/zinc/64/88/20/1385648820.db2.gz UFPLDPQZYGOVSB-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)C1)Cc1ccccc1 ZINC001318309548 1385648827 /nfs/dbraw/zinc/64/88/27/1385648827.db2.gz UFPLDPQZYGOVSB-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)C1)Cc1ccccc1 ZINC001318309548 1385648833 /nfs/dbraw/zinc/64/88/33/1385648833.db2.gz UFPLDPQZYGOVSB-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CCCC(C)(C)C)C1)Cc1ccccc1 ZINC001318309548 1385648837 /nfs/dbraw/zinc/64/88/37/1385648837.db2.gz UFPLDPQZYGOVSB-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1c(C)cc(C)cc1C ZINC001176985994 1385764281 /nfs/dbraw/zinc/76/42/81/1385764281.db2.gz AQBHDMOXTVMVGY-FQEVSTJZSA-N 2 1 345.531 3.082 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001176992072 1385765301 /nfs/dbraw/zinc/76/53/01/1385765301.db2.gz IKPVQTRAQNMBEN-ICSRJNTNSA-N 2 1 345.531 3.335 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CC1CCCCCC1)c1ccccc1 ZINC001177017122 1385773317 /nfs/dbraw/zinc/77/33/17/1385773317.db2.gz YZSCSUAPGHQAMT-FQEVSTJZSA-N 2 1 345.531 3.356 20 0 EGADMP C[C@@H]([NH2+]CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC001177021408 1385775648 /nfs/dbraw/zinc/77/56/48/1385775648.db2.gz VKCGXINLYJUTKO-XLIONFOSSA-N 2 1 339.483 3.146 20 0 EGADMP CC[C@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001177267635 1385890836 /nfs/dbraw/zinc/89/08/36/1385890836.db2.gz UQIVSIQOWASGCN-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001318959341 1385898077 /nfs/dbraw/zinc/89/80/77/1385898077.db2.gz ONYATNPJLIGTOE-VJANTYMQSA-N 2 1 337.552 3.170 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2)CC1 ZINC001318979263 1385906935 /nfs/dbraw/zinc/90/69/35/1385906935.db2.gz OTPHDAFDELHTJI-WGSAOQKQSA-N 2 1 349.494 3.075 20 0 EGADMP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001177415794 1385948872 /nfs/dbraw/zinc/94/88/72/1385948872.db2.gz LQSWGFDIUFXERI-SFHVURJKSA-N 2 1 337.552 3.127 20 0 EGADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCc4ccccc43)c2)CC1 ZINC001319290250 1386046353 /nfs/dbraw/zinc/04/63/53/1386046353.db2.gz OMFNUMYMVBLDAN-JOCHJYFZSA-N 2 1 335.495 3.211 20 0 EGADMP CC(C)[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCCC1 ZINC001319372592 1386087050 /nfs/dbraw/zinc/08/70/50/1386087050.db2.gz NJQFJCQPYRKAHZ-GOSISDBHSA-N 2 1 335.536 3.211 20 0 EGADMP CC(C)(C[NH2+]Cc1ccc2c(c1)OC(F)(F)O2)C[NH+]1CCCC1 ZINC001178613919 1386262490 /nfs/dbraw/zinc/26/24/90/1386262490.db2.gz FOMQMZRZIJAKHQ-UHFFFAOYSA-N 2 1 326.387 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001178634069 1386265199 /nfs/dbraw/zinc/26/51/99/1386265199.db2.gz NHTMXYHKKWQKAU-FQEVSTJZSA-N 2 1 345.531 3.327 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001178833070 1386322527 /nfs/dbraw/zinc/32/25/27/1386322527.db2.gz OUVHYWYIHQHQMA-RTBURBONSA-N 2 1 339.568 3.419 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC001319904472 1386379212 /nfs/dbraw/zinc/37/92/12/1386379212.db2.gz GOFAUTAIZQBDIK-BRWVUGGUSA-N 2 1 339.524 3.001 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179025956 1386380789 /nfs/dbraw/zinc/38/07/89/1386380789.db2.gz DIEBPXVZGNOXFW-UHFFFAOYSA-N 2 1 334.508 3.038 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CC1CCCCCC1 ZINC001320007827 1386447860 /nfs/dbraw/zinc/44/78/60/1386447860.db2.gz XKPSXGHNZSLHJQ-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)CC1CCCCCC1 ZINC001320007827 1386447862 /nfs/dbraw/zinc/44/78/62/1386447862.db2.gz XKPSXGHNZSLHJQ-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CC1CCCCCC1 ZINC001320007827 1386447866 /nfs/dbraw/zinc/44/78/66/1386447866.db2.gz XKPSXGHNZSLHJQ-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]CCC(C)C)C1 ZINC001179358089 1386462413 /nfs/dbraw/zinc/46/24/13/1386462413.db2.gz UVNAPJAZFNVZNM-LJQANCHMSA-N 2 1 339.568 3.421 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001179580875 1386522739 /nfs/dbraw/zinc/52/27/39/1386522739.db2.gz UHKOTRDBYWYGRO-OALUTQOASA-N 2 1 339.568 3.419 20 0 EGADMP CC(C)CCC[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001179585495 1386524321 /nfs/dbraw/zinc/52/43/21/1386524321.db2.gz JEFVUJCFCZRHAS-SFHVURJKSA-N 2 1 325.541 3.031 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179591650 1386526257 /nfs/dbraw/zinc/52/62/57/1386526257.db2.gz ZRBNNAKTDGTIAH-PKOBYXMFSA-N 2 1 337.552 3.031 20 0 EGADMP CCCC[NH2+]CCCCCCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001179592993 1386526361 /nfs/dbraw/zinc/52/63/61/1386526361.db2.gz TYANNTRVHDRXQO-UHFFFAOYSA-N 2 1 347.547 3.227 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NCCCCCC[NH2+]Cc2ccccc2)C1 ZINC001179593010 1386527018 /nfs/dbraw/zinc/52/70/18/1386527018.db2.gz USNPSQXVFLKMDK-UHFFFAOYSA-N 2 1 345.531 3.185 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([NH2+]CCCC2CCC2)[C@@H]1C ZINC001179719885 1386564469 /nfs/dbraw/zinc/56/44/69/1386564469.db2.gz RWQDPDICLQHHOW-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@@H]1C ZINC001179978630 1386656751 /nfs/dbraw/zinc/65/67/51/1386656751.db2.gz FKFZTUYCVMELTP-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+][C@H]1CCc2ccccc21 ZINC001179988920 1386659534 /nfs/dbraw/zinc/65/95/34/1386659534.db2.gz PTXSBJVDYJFXKO-FQEVSTJZSA-N 2 1 345.531 3.282 20 0 EGADMP Cc1ccc(C[NH2+]CCCCCCNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001180060626 1386683495 /nfs/dbraw/zinc/68/34/95/1386683495.db2.gz JWQTXYCDJBENNX-HXUWFJFHSA-N 2 1 345.531 3.103 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCCCCCC[NH2+]CCC2CCCC2)C1 ZINC001180065350 1386685379 /nfs/dbraw/zinc/68/53/79/1386685379.db2.gz OJNGFFVMFIOZTA-LJQANCHMSA-N 2 1 337.552 3.175 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc3c2OCC3)CC1 ZINC001180077572 1386690074 /nfs/dbraw/zinc/69/00/74/1386690074.db2.gz QBNITJNAHJCPRF-UHFFFAOYSA-N 2 1 346.515 3.192 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCCCCC[NH2+]CC1CCCCCC1 ZINC001180274411 1386752069 /nfs/dbraw/zinc/75/20/69/1386752069.db2.gz CCCQCBHNPGAHFA-UHFFFAOYSA-N 2 1 348.535 3.428 20 0 EGADMP Cc1cc(C[NH2+]CCCCCCNC(=O)C[N@H+](C)C(C)C)cs1 ZINC001180369632 1386776810 /nfs/dbraw/zinc/77/68/10/1386776810.db2.gz PWSYZESGJYLVQN-UHFFFAOYSA-N 2 1 339.549 3.163 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+][C@H]1CCc2ccccc21 ZINC001180369831 1386777132 /nfs/dbraw/zinc/77/71/32/1386777132.db2.gz ZWMQQSDIDKQKJW-FQEVSTJZSA-N 2 1 345.531 3.280 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001180373271 1386777915 /nfs/dbraw/zinc/77/79/15/1386777915.db2.gz ZUIXQKLOERFGRJ-MSOLQXFVSA-N 2 1 325.541 3.173 20 0 EGADMP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc4occc4c3)c2)CC1 ZINC001322441479 1387187059 /nfs/dbraw/zinc/18/70/59/1387187059.db2.gz XZSCGMKYEDQAQN-UHFFFAOYSA-N 2 1 349.478 3.470 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001182629874 1387199031 /nfs/dbraw/zinc/19/90/31/1387199031.db2.gz MWISGXSGYGJYAW-TWILZGLNSA-N 2 1 349.563 3.149 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001329462793 1389118847 /nfs/dbraw/zinc/11/88/47/1389118847.db2.gz ZUFWZSZBBDDUPN-APWZRJJASA-N 2 1 331.504 3.059 20 0 EGADMP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001329569426 1389159448 /nfs/dbraw/zinc/15/94/48/1389159448.db2.gz AVEIMYVVVGHYGG-HOTGVXAUSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001332199536 1390036770 /nfs/dbraw/zinc/03/67/70/1390036770.db2.gz QDOPQOJKQTVNFU-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001332199536 1390036775 /nfs/dbraw/zinc/03/67/75/1390036775.db2.gz QDOPQOJKQTVNFU-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001332199536 1390036780 /nfs/dbraw/zinc/03/67/80/1390036780.db2.gz QDOPQOJKQTVNFU-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC001332725098 1390170675 /nfs/dbraw/zinc/17/06/75/1390170675.db2.gz PGXYWAJMCTVFQJ-SFHVURJKSA-N 2 1 331.504 3.017 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(C)c1OC ZINC001334355199 1390523929 /nfs/dbraw/zinc/52/39/29/1390523929.db2.gz AMHSTIMPSJPRJQ-KSZLIROESA-N 2 1 332.488 3.174 20 0 EGADMP CCN(CC)c1ncc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)s1 ZINC001335133858 1390646981 /nfs/dbraw/zinc/64/69/81/1390646981.db2.gz LLANUISDDBBEJI-ARFHVFGLSA-N 2 1 336.549 3.151 20 0 EGADMP Fc1ccc(-c2cnc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)o2)cc1 ZINC001346104779 1390908018 /nfs/dbraw/zinc/90/80/18/1390908018.db2.gz ICEFEWVBCDAEEE-UHFFFAOYSA-N 2 1 329.419 3.446 20 0 EGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001351934837 1391719602 /nfs/dbraw/zinc/71/96/02/1391719602.db2.gz KCFVXSWLBFXGPF-VVLHAWIVSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@H](CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[NH+]1CCCCC1 ZINC001353556319 1392038807 /nfs/dbraw/zinc/03/88/07/1392038807.db2.gz RURHMCVBAGBJMZ-YLJYHZDGSA-N 2 1 343.515 3.100 20 0 EGADMP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001479904376 1392471212 /nfs/dbraw/zinc/47/12/12/1392471212.db2.gz GOMQECXJFKRMEZ-OSJSJHBBSA-N 2 1 349.544 3.360 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001479904376 1392471216 /nfs/dbraw/zinc/47/12/16/1392471216.db2.gz GOMQECXJFKRMEZ-OSJSJHBBSA-N 2 1 349.544 3.360 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC[C@@H](C[N@@H+](C)CCC2CCCC2)C1 ZINC001480083198 1392573073 /nfs/dbraw/zinc/57/30/73/1392573073.db2.gz AFDQQLQYEWXAQM-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1)[NH+](C)C ZINC001480268092 1392652116 /nfs/dbraw/zinc/65/21/16/1392652116.db2.gz VTOFJWFXESVYFL-VQTJNVASSA-N 2 1 349.563 3.291 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1c(C)cccc1C ZINC001480333046 1392692326 /nfs/dbraw/zinc/69/23/26/1392692326.db2.gz SWIUQSHDSPDBKV-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1c(C)cccc1C ZINC001480333046 1392692329 /nfs/dbraw/zinc/69/23/29/1392692329.db2.gz SWIUQSHDSPDBKV-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1c(C)cccc1C ZINC001480333046 1392692330 /nfs/dbraw/zinc/69/23/30/1392692330.db2.gz SWIUQSHDSPDBKV-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)Cc1ccccc1C(C)C ZINC001480951829 1393043223 /nfs/dbraw/zinc/04/32/23/1393043223.db2.gz OBXRRZKAWWFANV-HXUWFJFHSA-N 2 1 345.531 3.232 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)Cc1ccccc1C(C)C ZINC001480951829 1393043227 /nfs/dbraw/zinc/04/32/27/1393043227.db2.gz OBXRRZKAWWFANV-HXUWFJFHSA-N 2 1 345.531 3.232 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1ccccc1C(C)C ZINC001480951829 1393043229 /nfs/dbraw/zinc/04/32/29/1393043229.db2.gz OBXRRZKAWWFANV-HXUWFJFHSA-N 2 1 345.531 3.232 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001481216297 1393150379 /nfs/dbraw/zinc/15/03/79/1393150379.db2.gz XKKCGVFIYUQVSB-LPHOPBHVSA-N 2 1 331.504 3.013 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1CC[NH+](CCC2CCCC2)C1)C1CCCCC1 ZINC001490553681 1394254120 /nfs/dbraw/zinc/25/41/20/1394254120.db2.gz ZODCWRFCVWKIPP-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C1)C1CCCCC1 ZINC001490553681 1394254125 /nfs/dbraw/zinc/25/41/25/1394254125.db2.gz ZODCWRFCVWKIPP-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1)C1CCCCC1 ZINC001490553681 1394254132 /nfs/dbraw/zinc/25/41/32/1394254132.db2.gz ZODCWRFCVWKIPP-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC(C[N@@H+](C)CCC3CCCC3)CC2)CCC1 ZINC001481514689 1394362128 /nfs/dbraw/zinc/36/21/28/1394362128.db2.gz KRRGRYDPWUNSKJ-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccccc1 ZINC001698951237 1406691936 /nfs/dbraw/zinc/69/19/36/1406691936.db2.gz DZKXYACSNJIXTP-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)C2([NH+](C)C)CCC2)cs1 ZINC001491209424 1394471872 /nfs/dbraw/zinc/47/18/72/1394471872.db2.gz DVWAMNVJTKAZBI-QGZVFWFLSA-N 2 1 349.544 3.012 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@]1(C[NH2+]CC2CC2)CCCC[C@H]1C ZINC001481961712 1394623397 /nfs/dbraw/zinc/62/33/97/1394623397.db2.gz NVWLBWDGGLCXJG-OXQOHEQNSA-N 2 1 346.519 3.071 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CCCC1 ZINC001482220589 1394814249 /nfs/dbraw/zinc/81/42/49/1394814249.db2.gz DNRJGNCQQKFRKM-IBGZPJMESA-N 2 1 343.515 3.080 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC2(C[NH+]([C@H](C)c3ccccc3)C2)CC1 ZINC001482245635 1394842860 /nfs/dbraw/zinc/84/28/60/1394842860.db2.gz LMQBOIREWBEPHJ-GOSISDBHSA-N 2 1 343.515 3.014 20 0 EGADMP C[C@@H](C[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001482319435 1394891029 /nfs/dbraw/zinc/89/10/29/1394891029.db2.gz KOHUPJFTHQTBQH-QFBILLFUSA-N 2 1 345.531 3.015 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCC2CCCC2)C1 ZINC001482477784 1395032297 /nfs/dbraw/zinc/03/22/97/1395032297.db2.gz IDZPRKZHDHWSAK-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@]2(C)CCC[N@@H+](CC3CCCCC3)C2)CCC1 ZINC001484161808 1395296051 /nfs/dbraw/zinc/29/60/51/1395296051.db2.gz ZKFVTBGYSQWLQP-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCCC(C)(C)C ZINC001715519185 1420204937 /nfs/dbraw/zinc/20/49/37/1420204937.db2.gz GBHPCKQVYRPWNQ-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCCC(C)(C)C ZINC001715519185 1420204938 /nfs/dbraw/zinc/20/49/38/1420204938.db2.gz GBHPCKQVYRPWNQ-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCCC(C)(C)C ZINC001715519185 1420204941 /nfs/dbraw/zinc/20/49/41/1420204941.db2.gz GBHPCKQVYRPWNQ-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1ccccc1F ZINC001485040609 1395647173 /nfs/dbraw/zinc/64/71/73/1395647173.db2.gz QQRCANDPDFUTNJ-SJORKVTESA-N 2 1 349.494 3.199 20 0 EGADMP CN(CC[N@@H+](C)CCC1CCCC1)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001698988524 1406774656 /nfs/dbraw/zinc/77/46/56/1406774656.db2.gz FLPPAUWVSMPNIZ-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CC[NH+](C)CCC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001698988524 1406774662 /nfs/dbraw/zinc/77/46/62/1406774662.db2.gz FLPPAUWVSMPNIZ-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CC[NH+](C)CCC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001698988524 1406774663 /nfs/dbraw/zinc/77/46/63/1406774663.db2.gz FLPPAUWVSMPNIZ-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1ccccc1F ZINC001698989636 1406776616 /nfs/dbraw/zinc/77/66/16/1406776616.db2.gz NFIGELPMCFHMNG-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1ccccc1F ZINC001698989636 1406776617 /nfs/dbraw/zinc/77/66/17/1406776617.db2.gz NFIGELPMCFHMNG-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccccc1F ZINC001698989636 1406776621 /nfs/dbraw/zinc/77/66/21/1406776621.db2.gz NFIGELPMCFHMNG-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC001698989636 1406776624 /nfs/dbraw/zinc/77/66/24/1406776624.db2.gz NFIGELPMCFHMNG-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1ccccc1F ZINC001698989637 1406777116 /nfs/dbraw/zinc/77/71/16/1406777116.db2.gz NFIGELPMCFHMNG-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1ccccc1F ZINC001698989637 1406777119 /nfs/dbraw/zinc/77/71/19/1406777119.db2.gz NFIGELPMCFHMNG-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)[C@H](C)c1ccccc1F ZINC001698989637 1406777121 /nfs/dbraw/zinc/77/71/21/1406777121.db2.gz NFIGELPMCFHMNG-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccccc1F ZINC001698989637 1406777124 /nfs/dbraw/zinc/77/71/24/1406777124.db2.gz NFIGELPMCFHMNG-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001698996876 1406796790 /nfs/dbraw/zinc/79/67/90/1406796790.db2.gz GMOHGDJTHVTVBT-INIZCTEOSA-N 2 1 349.494 3.009 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001485531892 1396002833 /nfs/dbraw/zinc/00/28/33/1396002833.db2.gz BGHVVLLAMCXNOK-CVEARBPZSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC001495750661 1396555799 /nfs/dbraw/zinc/55/57/99/1396555799.db2.gz LNYYYTOFFHFUID-DLBZAZTESA-N 2 1 342.487 3.110 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001498454719 1397001069 /nfs/dbraw/zinc/00/10/69/1397001069.db2.gz DRNQLOUPWGMEMW-RBUKOAKNSA-N 2 1 345.531 3.369 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001690029057 1404266996 /nfs/dbraw/zinc/26/69/96/1404266996.db2.gz RLSAGIHGJXUDMH-QGZVFWFLSA-N 2 1 331.504 3.012 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001690504600 1404616981 /nfs/dbraw/zinc/61/69/81/1404616981.db2.gz GCGTXUKTXZJNMC-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001690504600 1404616984 /nfs/dbraw/zinc/61/69/84/1404616984.db2.gz GCGTXUKTXZJNMC-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC001690504600 1404616985 /nfs/dbraw/zinc/61/69/85/1404616985.db2.gz GCGTXUKTXZJNMC-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1c(C(=O)NC[C@H](C)[N@H+](C)C[C@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001725176260 1425692462 /nfs/dbraw/zinc/69/24/62/1425692462.db2.gz YUVJYEVKMPAQJF-CVEARBPZSA-N 2 1 344.503 3.375 20 0 EGADMP C[C@@H](c1ccccc1F)[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001690819063 1404754610 /nfs/dbraw/zinc/75/46/10/1404754610.db2.gz SXJWXIBNSUGBPZ-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)Cc1cc(C)ccc1C ZINC001691055299 1404974124 /nfs/dbraw/zinc/97/41/24/1404974124.db2.gz AHMRIZDVMADHGT-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)Cc1cc(C)ccc1C ZINC001691055299 1404974127 /nfs/dbraw/zinc/97/41/27/1404974127.db2.gz AHMRIZDVMADHGT-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)Cc1cc(C)ccc1C ZINC001691055299 1404974130 /nfs/dbraw/zinc/97/41/30/1404974130.db2.gz AHMRIZDVMADHGT-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001692112097 1405776318 /nfs/dbraw/zinc/77/63/18/1405776318.db2.gz NEIRGIGIGVCKKY-GNAXCBTBSA-N 2 1 335.536 3.189 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001732042443 1428274347 /nfs/dbraw/zinc/27/43/47/1428274347.db2.gz ULUCGVLAYZXRAU-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CCCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001732042443 1428274351 /nfs/dbraw/zinc/27/43/51/1428274351.db2.gz ULUCGVLAYZXRAU-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1ccccc1C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001732365221 1428549697 /nfs/dbraw/zinc/54/96/97/1428549697.db2.gz KBIXHEBRILFPHU-PXNSSMCTSA-N 2 1 345.531 3.100 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+][C@@H](C)c2ccc(F)cc2)CCCC1 ZINC001732399772 1428565782 /nfs/dbraw/zinc/56/57/82/1428565782.db2.gz PEYSDPFBKOUUNR-INIZCTEOSA-N 2 1 349.494 3.247 20 0 EGADMP CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001699863837 1413299434 /nfs/dbraw/zinc/29/94/34/1413299434.db2.gz CJZFLTLLEITKFN-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001700177766 1413587042 /nfs/dbraw/zinc/58/70/42/1413587042.db2.gz SRIXYPNHEQFQCE-PKOBYXMFSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001700185351 1413604181 /nfs/dbraw/zinc/60/41/81/1413604181.db2.gz ZSYMRDVKPXTJBQ-MOPGFXCFSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2C)CC1 ZINC001700185351 1413604183 /nfs/dbraw/zinc/60/41/83/1413604183.db2.gz ZSYMRDVKPXTJBQ-MOPGFXCFSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2ccccc2C)CC1 ZINC001700185351 1413604188 /nfs/dbraw/zinc/60/41/88/1413604188.db2.gz ZSYMRDVKPXTJBQ-MOPGFXCFSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC001700321295 1413787560 /nfs/dbraw/zinc/78/75/60/1413787560.db2.gz YYSVZDXATDQHAA-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC001700321295 1413787565 /nfs/dbraw/zinc/78/75/65/1413787565.db2.gz YYSVZDXATDQHAA-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC001700321295 1413787570 /nfs/dbraw/zinc/78/75/70/1413787570.db2.gz YYSVZDXATDQHAA-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](CCC1CC1)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001700342985 1413827088 /nfs/dbraw/zinc/82/70/88/1413827088.db2.gz NVUQMPHZPPLLDB-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CCC1CC1)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001700342985 1413827093 /nfs/dbraw/zinc/82/70/93/1413827093.db2.gz NVUQMPHZPPLLDB-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)[C@H](C)c1ccccc1 ZINC001700363394 1413881945 /nfs/dbraw/zinc/88/19/45/1413881945.db2.gz JOSBUCXAINUZJQ-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)[C@H](C)c1ccccc1 ZINC001700363394 1413881948 /nfs/dbraw/zinc/88/19/48/1413881948.db2.gz JOSBUCXAINUZJQ-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC001700363394 1413881955 /nfs/dbraw/zinc/88/19/55/1413881955.db2.gz JOSBUCXAINUZJQ-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1C[N@H+](C)CCCC1CCCC1 ZINC001700364482 1413885626 /nfs/dbraw/zinc/88/56/26/1413885626.db2.gz LJYRDPZLCINFMQ-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCCC1CCCC1 ZINC001700364482 1413885632 /nfs/dbraw/zinc/88/56/32/1413885632.db2.gz LJYRDPZLCINFMQ-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP CC[C@H]([NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)C(C)C)c1ccccc1 ZINC001732571143 1428766787 /nfs/dbraw/zinc/76/67/87/1428766787.db2.gz YDCXMWRMEUVNSV-RBUKOAKNSA-N 2 1 342.487 3.073 20 0 EGADMP Cc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001700442055 1414014435 /nfs/dbraw/zinc/01/44/35/1414014435.db2.gz KHHHZUHKAFOOBX-UHFFFAOYSA-N 2 1 345.531 3.054 20 0 EGADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+](C)C/C=C\c1ccccc1 ZINC001700473507 1414096640 /nfs/dbraw/zinc/09/66/40/1414096640.db2.gz FFWXPRCKIFCQEY-ADYSOMBNSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@H+](C)C/C=C\c1ccccc1 ZINC001700473507 1414096648 /nfs/dbraw/zinc/09/66/48/1414096648.db2.gz FFWXPRCKIFCQEY-ADYSOMBNSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@@H+](C)C/C=C\c1ccccc1 ZINC001700473507 1414096654 /nfs/dbraw/zinc/09/66/54/1414096654.db2.gz FFWXPRCKIFCQEY-ADYSOMBNSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001700479886 1414113910 /nfs/dbraw/zinc/11/39/10/1414113910.db2.gz CTQHNKJOFVCUOL-SJORKVTESA-N 2 1 349.494 3.055 20 0 EGADMP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001700479885 1414114156 /nfs/dbraw/zinc/11/41/56/1414114156.db2.gz CTQHNKJOFVCUOL-IRXDYDNUSA-N 2 1 349.494 3.055 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC([C@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001700556134 1414226503 /nfs/dbraw/zinc/22/65/03/1414226503.db2.gz XSDWQUUDUXYHSX-HNAYVOBHSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001732744879 1428942576 /nfs/dbraw/zinc/94/25/76/1428942576.db2.gz GRNGFNLAFGBVHX-HNAYVOBHSA-N 2 1 349.494 3.029 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)Cn1cc[nH+]c1C ZINC001732810129 1428988072 /nfs/dbraw/zinc/98/80/72/1428988072.db2.gz GNRAKWBXZCPJAE-AWEZNQCLSA-N 2 1 348.878 3.044 20 0 EGADMP Cc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733037410 1429163536 /nfs/dbraw/zinc/16/35/36/1429163536.db2.gz GIIOXPLIQUZCMO-SFHVURJKSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001707447361 1417351285 /nfs/dbraw/zinc/35/12/85/1417351285.db2.gz QSVPJBZKRCSYGD-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1ccccc1C ZINC001713002082 1417555644 /nfs/dbraw/zinc/55/56/44/1417555644.db2.gz GYCABWHGVQCDDK-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001733055194 1429198175 /nfs/dbraw/zinc/19/81/75/1429198175.db2.gz UITGOCOQVSUCTB-MSOLQXFVSA-N 2 1 345.531 3.224 20 0 EGADMP C[C@H]1CCC[C@@H](CC[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+](C)C)C1 ZINC001713142667 1417724585 /nfs/dbraw/zinc/72/45/85/1417724585.db2.gz CWPPGBAPJHPZEI-LWYYNNOASA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2cc(C)cc(C)c2)C1 ZINC001713399692 1418020757 /nfs/dbraw/zinc/02/07/57/1418020757.db2.gz RGPQQDNQIYHGFZ-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001713399692 1418020763 /nfs/dbraw/zinc/02/07/63/1418020763.db2.gz RGPQQDNQIYHGFZ-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001713399692 1418020765 /nfs/dbraw/zinc/02/07/65/1418020765.db2.gz RGPQQDNQIYHGFZ-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001713452735 1418098959 /nfs/dbraw/zinc/09/89/59/1418098959.db2.gz ARBDTHCBSIROBN-GOSISDBHSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H](C)c1cc(C)ccc1C ZINC001713549414 1418325977 /nfs/dbraw/zinc/32/59/77/1418325977.db2.gz QRIALTVGOJZEOV-AZUAARDMSA-N 2 1 345.531 3.287 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@@H](C)c1cc(C)ccc1C ZINC001713549414 1418325981 /nfs/dbraw/zinc/32/59/81/1418325981.db2.gz QRIALTVGOJZEOV-AZUAARDMSA-N 2 1 345.531 3.287 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@@H](C)c1cc(C)ccc1C ZINC001713549414 1418325986 /nfs/dbraw/zinc/32/59/86/1418325986.db2.gz QRIALTVGOJZEOV-AZUAARDMSA-N 2 1 345.531 3.287 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](Cc1csc(C)c1)C1CC1 ZINC001713558014 1418352641 /nfs/dbraw/zinc/35/26/41/1418352641.db2.gz VJDGRRZLNQJISG-SFHVURJKSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](Cc1csc(C)c1)C1CC1 ZINC001713558014 1418352644 /nfs/dbraw/zinc/35/26/44/1418352644.db2.gz VJDGRRZLNQJISG-SFHVURJKSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](Cc1csc(C)c1)C1CC1 ZINC001713558014 1418352649 /nfs/dbraw/zinc/35/26/49/1418352649.db2.gz VJDGRRZLNQJISG-SFHVURJKSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](CC)c1ccccc1 ZINC001713598530 1418388700 /nfs/dbraw/zinc/38/87/00/1418388700.db2.gz UJBCYJDGUBRGKH-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001713764235 1418575664 /nfs/dbraw/zinc/57/56/64/1418575664.db2.gz VLKHAEDSVMWUIX-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001713764235 1418575671 /nfs/dbraw/zinc/57/56/71/1418575671.db2.gz VLKHAEDSVMWUIX-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001713764235 1418575677 /nfs/dbraw/zinc/57/56/77/1418575677.db2.gz VLKHAEDSVMWUIX-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001713804905 1418617885 /nfs/dbraw/zinc/61/78/85/1418617885.db2.gz NEIRGIGIGVCKKY-RTLBZRNLSA-N 2 1 335.536 3.189 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001714036008 1418824437 /nfs/dbraw/zinc/82/44/37/1418824437.db2.gz PKXSWWGEACUGKR-QZTJIDSGSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001714036008 1418824439 /nfs/dbraw/zinc/82/44/39/1418824439.db2.gz PKXSWWGEACUGKR-QZTJIDSGSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001714036008 1418824440 /nfs/dbraw/zinc/82/44/40/1418824440.db2.gz PKXSWWGEACUGKR-QZTJIDSGSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001714138603 1418941452 /nfs/dbraw/zinc/94/14/52/1418941452.db2.gz PRQCZNSKUQMNDF-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCc1cccc(C[NH2+]C2CCC(NC(=O)CC[N@H+](C)CC)CC2)c1 ZINC001714197875 1419002657 /nfs/dbraw/zinc/00/26/57/1419002657.db2.gz WZRLVWFXNKXMMM-UHFFFAOYSA-N 2 1 345.531 3.108 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001714304713 1419084531 /nfs/dbraw/zinc/08/45/31/1419084531.db2.gz HWOJECRLHNPEBD-HOTGVXAUSA-N 2 1 342.487 3.170 20 0 EGADMP CCC(CC)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001714319946 1419098120 /nfs/dbraw/zinc/09/81/20/1419098120.db2.gz YRTFBLNQKYOUHI-OXQOHEQNSA-N 2 1 345.531 3.169 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001714829101 1419539089 /nfs/dbraw/zinc/53/90/89/1419539089.db2.gz CMEXBNQPNKOWFW-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP CC[N@H+](C)CCC(=O)NC1C[NH+]([C@@H](C)c2cccc3ccccc32)C1 ZINC001714951400 1419692709 /nfs/dbraw/zinc/69/27/09/1419692709.db2.gz YYXBNSNJKROVDO-INIZCTEOSA-N 2 1 339.483 3.043 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1C[NH+]([C@@H](C)c2cccc3ccccc32)C1 ZINC001714951400 1419692710 /nfs/dbraw/zinc/69/27/10/1419692710.db2.gz YYXBNSNJKROVDO-INIZCTEOSA-N 2 1 339.483 3.043 20 0 EGADMP CCc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2)c1 ZINC001715001761 1419732549 /nfs/dbraw/zinc/73/25/49/1419732549.db2.gz OOMXUIXNTNTYTF-PMACEKPBSA-N 2 1 345.531 3.060 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001715024154 1419755761 /nfs/dbraw/zinc/75/57/61/1419755761.db2.gz QKZHQANXYQKTMB-IBGZPJMESA-N 2 1 345.531 3.185 20 0 EGADMP CC[NH2+]C[C@]1(NC(=O)CC[N@@H+](C)C2CCCCC2)CCCC[C@@H]1C ZINC001715127100 1419874022 /nfs/dbraw/zinc/87/40/22/1419874022.db2.gz IGBFHSJTPLJPSK-FXAWDEMLSA-N 2 1 337.552 3.316 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCCC2CCCC2)CC1 ZINC001715200841 1419933092 /nfs/dbraw/zinc/93/30/92/1419933092.db2.gz RIVYTNQMZWTBOT-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1ccccc1C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001715957087 1420423012 /nfs/dbraw/zinc/42/30/12/1420423012.db2.gz FQHBEUQORCLCFQ-FQEVSTJZSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001715957087 1420423014 /nfs/dbraw/zinc/42/30/14/1420423014.db2.gz FQHBEUQORCLCFQ-FQEVSTJZSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1ccccc1C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001715957087 1420423015 /nfs/dbraw/zinc/42/30/15/1420423015.db2.gz FQHBEUQORCLCFQ-FQEVSTJZSA-N 2 1 345.531 3.148 20 0 EGADMP C[C@@H](C[N@@H+](C)CC1CCC(C)(C)CC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001716033030 1420492053 /nfs/dbraw/zinc/49/20/53/1420492053.db2.gz SUMJQHVEPJIBTA-KRWDZBQOSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C)c(C)c1 ZINC001716074147 1420529082 /nfs/dbraw/zinc/52/90/82/1420529082.db2.gz WEEIVDKIRIBQAW-WOJBJXKFSA-N 2 1 345.531 3.020 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001716420629 1420647702 /nfs/dbraw/zinc/64/77/02/1420647702.db2.gz WYKGXRQAAVTXPN-BEFAXECRSA-N 2 1 349.494 3.029 20 0 EGADMP C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001716446576 1420664723 /nfs/dbraw/zinc/66/47/23/1420664723.db2.gz DJMDEUBFCZKLLY-KRWDZBQOSA-N 2 1 337.552 3.316 20 0 EGADMP CCc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)cc1 ZINC001716496537 1420721255 /nfs/dbraw/zinc/72/12/55/1420721255.db2.gz XIERNZHWXJIPBQ-KRWDZBQOSA-N 2 1 347.547 3.163 20 0 EGADMP CCc1ccc(C[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001716496537 1420721257 /nfs/dbraw/zinc/72/12/57/1420721257.db2.gz XIERNZHWXJIPBQ-KRWDZBQOSA-N 2 1 347.547 3.163 20 0 EGADMP CCc1ccc(C[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001716496537 1420721258 /nfs/dbraw/zinc/72/12/58/1420721258.db2.gz XIERNZHWXJIPBQ-KRWDZBQOSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H](C[N@@H+](C)[C@@H](C)c1ccccc1F)NC(=O)CCC[NH+]1CCCC1 ZINC001716508848 1420740424 /nfs/dbraw/zinc/74/04/24/1420740424.db2.gz RCNMVDKKXKDMKS-SJORKVTESA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001716884061 1421007819 /nfs/dbraw/zinc/00/78/19/1421007819.db2.gz OSAQUDRYAANBPC-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC[NH2+]C(C)C)Cc2ccccc2)C1 ZINC001717007381 1421075171 /nfs/dbraw/zinc/07/51/71/1421075171.db2.gz ZBTRWUKVFYXBJH-HXUWFJFHSA-N 2 1 345.531 3.135 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC001733289500 1429467310 /nfs/dbraw/zinc/46/73/10/1429467310.db2.gz RLFDRONJOYUSAO-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP C[NH+](C)C1(C(=O)N2CC[C@@]3(CC[N@@H+](CCCC(C)(C)C)C3)C2)CCC1 ZINC001733293190 1429473920 /nfs/dbraw/zinc/47/39/20/1429473920.db2.gz BZDUZWOORILVLJ-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N(CC[N@@H+](C)Cc1cc(C)ccc1C)C(C)C)[NH+](C)C ZINC001717952559 1421723742 /nfs/dbraw/zinc/72/37/42/1421723742.db2.gz YQBNHJHCZJBVBB-FQEVSTJZSA-N 2 1 347.547 3.312 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)C[C@@H]1C ZINC001733335399 1429520500 /nfs/dbraw/zinc/52/05/00/1429520500.db2.gz IWKGHLQXKWPFAR-QYLKWSRPSA-N 2 1 343.515 3.011 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCCC(C)(C)C)CC1 ZINC001733391301 1429581174 /nfs/dbraw/zinc/58/11/74/1429581174.db2.gz ZIYMMHCVCJOCKS-MSOLQXFVSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1ccc(C)c(C[NH2+]C2(CNC(=O)C[N@H+](C)CC(C)(C)C)CC2)c1 ZINC001723558411 1424464458 /nfs/dbraw/zinc/46/44/58/1424464458.db2.gz MEUNWJKFNPIAQH-UHFFFAOYSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001723571818 1424470343 /nfs/dbraw/zinc/47/03/43/1424470343.db2.gz SVMJZGLYZGXZAF-MSOLQXFVSA-N 2 1 337.552 3.170 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](CC2CC2)CC2CCCC2)CC1 ZINC001723649005 1424513114 /nfs/dbraw/zinc/51/31/14/1424513114.db2.gz CLCRZOXPIQDADD-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@H+](CC2CC2)CC2CCCC2)CC1 ZINC001723649005 1424513116 /nfs/dbraw/zinc/51/31/16/1424513116.db2.gz CLCRZOXPIQDADD-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](CC2CC2)CC2CCCC2)CC1 ZINC001723649005 1424513122 /nfs/dbraw/zinc/51/31/22/1424513122.db2.gz CLCRZOXPIQDADD-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001724753832 1425124571 /nfs/dbraw/zinc/12/45/71/1425124571.db2.gz IFHKKPMPLMSOBZ-BJLQDIEVSA-N 2 1 345.531 3.354 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH+](C)Cc1ccccc1C ZINC001724859270 1425240175 /nfs/dbraw/zinc/24/01/75/1425240175.db2.gz BMNOMQHAXNLJGM-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CCC[N@H+](C)Cc1ccccc1C ZINC001724859270 1425240177 /nfs/dbraw/zinc/24/01/77/1425240177.db2.gz BMNOMQHAXNLJGM-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1C ZINC001724859270 1425240182 /nfs/dbraw/zinc/24/01/82/1425240182.db2.gz BMNOMQHAXNLJGM-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cccc(F)c2)[C@H](C)C1 ZINC001725003288 1425413953 /nfs/dbraw/zinc/41/39/53/1425413953.db2.gz PAAYZIQBPZCFSV-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(F)c2)[C@H](C)C1 ZINC001725003288 1425413954 /nfs/dbraw/zinc/41/39/54/1425413954.db2.gz PAAYZIQBPZCFSV-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(F)c2)[C@H](C)C1 ZINC001725003288 1425413956 /nfs/dbraw/zinc/41/39/56/1425413956.db2.gz PAAYZIQBPZCFSV-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001725003482 1425414373 /nfs/dbraw/zinc/41/43/73/1425414373.db2.gz PQQZJDJWAQRCBT-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001725003482 1425414379 /nfs/dbraw/zinc/41/43/79/1425414379.db2.gz PQQZJDJWAQRCBT-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001725003482 1425414385 /nfs/dbraw/zinc/41/43/85/1425414385.db2.gz PQQZJDJWAQRCBT-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC001725141246 1425620355 /nfs/dbraw/zinc/62/03/55/1425620355.db2.gz DAACGZASPYWDQA-QGZVFWFLSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)[NH2+]CC(C)(C)CN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001725144430 1425624538 /nfs/dbraw/zinc/62/45/38/1425624538.db2.gz PTMNGIRZXDGSDW-UHFFFAOYSA-N 2 1 325.541 3.124 20 0 EGADMP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)CC1CCCCCC1 ZINC001725189085 1425730029 /nfs/dbraw/zinc/73/00/29/1425730029.db2.gz IFPRIEORXCHLTM-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001725631040 1426298464 /nfs/dbraw/zinc/29/84/64/1426298464.db2.gz OEXCDPBHMKSYBZ-AEFFLSMTSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001725631040 1426298468 /nfs/dbraw/zinc/29/84/68/1426298468.db2.gz OEXCDPBHMKSYBZ-AEFFLSMTSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001725631040 1426298469 /nfs/dbraw/zinc/29/84/69/1426298469.db2.gz OEXCDPBHMKSYBZ-AEFFLSMTSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001731430600 1427412501 /nfs/dbraw/zinc/41/25/01/1427412501.db2.gz BIEDPXCJCINLCM-AQNXPRMDSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001731536199 1427533015 /nfs/dbraw/zinc/53/30/15/1427533015.db2.gz MCUPVJJSKXHXLZ-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001731536199 1427533020 /nfs/dbraw/zinc/53/30/20/1427533020.db2.gz MCUPVJJSKXHXLZ-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001731536199 1427533031 /nfs/dbraw/zinc/53/30/31/1427533031.db2.gz MCUPVJJSKXHXLZ-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1CCCC(C)(C)C ZINC001731544086 1427558927 /nfs/dbraw/zinc/55/89/27/1427558927.db2.gz WJIGZHGEOJLVRF-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC(C)(C)C ZINC001731544086 1427558931 /nfs/dbraw/zinc/55/89/31/1427558931.db2.gz WJIGZHGEOJLVRF-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@H+]1CCCC(C)(C)C ZINC001731544086 1427558938 /nfs/dbraw/zinc/55/89/38/1427558938.db2.gz WJIGZHGEOJLVRF-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CC[C@@H]([NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC001731637280 1427694105 /nfs/dbraw/zinc/69/41/05/1427694105.db2.gz MSAFHLNZHMGCAB-SUMWQHHRSA-N 2 1 348.878 3.091 20 0 EGADMP C[C@H](CNC(=O)C[N@H+](C)Cc1ccccc1)[NH2+]CC1CCCCCC1 ZINC001731638863 1427696203 /nfs/dbraw/zinc/69/62/03/1427696203.db2.gz LPNDKUPKLSHUDV-GOSISDBHSA-N 2 1 345.531 3.183 20 0 EGADMP C[C@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)[NH2+]CC1CCCCCC1 ZINC001731638863 1427696208 /nfs/dbraw/zinc/69/62/08/1427696208.db2.gz LPNDKUPKLSHUDV-GOSISDBHSA-N 2 1 345.531 3.183 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2c(C)cccc2C)C1 ZINC001731719542 1427787093 /nfs/dbraw/zinc/78/70/93/1427787093.db2.gz IUVMOGIJXWQBFH-IBGZPJMESA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2c(C)cccc2C)C1 ZINC001731719542 1427787098 /nfs/dbraw/zinc/78/70/98/1427787098.db2.gz IUVMOGIJXWQBFH-IBGZPJMESA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2c(C)cccc2C)C1 ZINC001731719542 1427787100 /nfs/dbraw/zinc/78/71/00/1427787100.db2.gz IUVMOGIJXWQBFH-IBGZPJMESA-N 2 1 345.531 3.068 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NCC[N@@H+](C)CCCC(C)(C)C ZINC001731772541 1427886129 /nfs/dbraw/zinc/88/61/29/1427886129.db2.gz LISZDUAWJGNVJZ-UHFFFAOYSA-N 2 1 339.549 3.298 20 0 EGADMP C[NH+]1CCC(CC(=O)NC[C@@H]2CC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC001731855544 1428089075 /nfs/dbraw/zinc/08/90/75/1428089075.db2.gz NWUUPOPWSNVXFH-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)CC1CCCCC1 ZINC001731870131 1428124511 /nfs/dbraw/zinc/12/45/11/1428124511.db2.gz QQAZXQAFSOKTFW-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)[C@@H](C)c1ccccc1 ZINC001731873534 1428134645 /nfs/dbraw/zinc/13/46/45/1428134645.db2.gz LEJSZTBPUGDJGW-ICSRJNTNSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)[C@@H](C)c1ccccc1 ZINC001731873534 1428134647 /nfs/dbraw/zinc/13/46/47/1428134647.db2.gz LEJSZTBPUGDJGW-ICSRJNTNSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)[C@@H](C)c1ccccc1 ZINC001731873534 1428134648 /nfs/dbraw/zinc/13/46/48/1428134648.db2.gz LEJSZTBPUGDJGW-ICSRJNTNSA-N 2 1 345.531 3.450 20 0 EGADMP CC(C)c1ccccc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001733781016 1430043588 /nfs/dbraw/zinc/04/35/88/1430043588.db2.gz ZDTZWBUKUHXFTQ-LJQANCHMSA-N 2 1 345.531 3.042 20 0 EGADMP CC(C)c1ccccc1C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001733781016 1430043590 /nfs/dbraw/zinc/04/35/90/1430043590.db2.gz ZDTZWBUKUHXFTQ-LJQANCHMSA-N 2 1 345.531 3.042 20 0 EGADMP CC(C)c1ccccc1C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001733781016 1430043598 /nfs/dbraw/zinc/04/35/98/1430043598.db2.gz ZDTZWBUKUHXFTQ-LJQANCHMSA-N 2 1 345.531 3.042 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001733783164 1430051862 /nfs/dbraw/zinc/05/18/62/1430051862.db2.gz WPYQHTZKFCMTLG-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@H](C(=O)N1CCC(C[N@@H+](CC)C(C)C)CC1)[NH+](CC)CC ZINC001733919769 1437733455 /nfs/dbraw/zinc/73/34/55/1437733455.db2.gz JPAMNVUTLXYLDH-GOSISDBHSA-N 2 1 325.541 3.076 20 0 EGADMP CC[N@@H+](CCC1CC1)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001733920751 1437734963 /nfs/dbraw/zinc/73/49/63/1437734963.db2.gz UQZSWTIVIJHMPF-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)[C@H](C)c1ccc(F)cc1 ZINC001733936164 1437750370 /nfs/dbraw/zinc/75/03/70/1437750370.db2.gz APIKTNVEFLZEMO-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001733936164 1437750372 /nfs/dbraw/zinc/75/03/72/1437750372.db2.gz APIKTNVEFLZEMO-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001733936164 1437750374 /nfs/dbraw/zinc/75/03/74/1437750374.db2.gz APIKTNVEFLZEMO-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1C[NH+](CCC2CCCCCC2)C1 ZINC001734117046 1437899023 /nfs/dbraw/zinc/89/90/23/1437899023.db2.gz LKCOEUUUTULGSA-KRWDZBQOSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001752432347 1440178868 /nfs/dbraw/zinc/17/88/68/1440178868.db2.gz TZWGXTRXSIBQLK-RBUKOAKNSA-N 2 1 343.515 3.060 20 0 EGADMP CC/C=C\CC[NH+]1CCC(N(CCC)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001752439596 1440180897 /nfs/dbraw/zinc/18/08/97/1440180897.db2.gz KOMWKPKPUWZULZ-LIXSYLKWSA-N 2 1 349.563 3.388 20 0 EGADMP Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)c(C)c1 ZINC001752665537 1440198655 /nfs/dbraw/zinc/19/86/55/1440198655.db2.gz QFFSPZXBXZNOKY-WGSAOQKQSA-N 2 1 345.531 3.018 20 0 EGADMP CCCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001752705745 1440202433 /nfs/dbraw/zinc/20/24/33/1440202433.db2.gz BIKWGFOCJBLNIS-MOPGFXCFSA-N 2 1 346.519 3.085 20 0 EGADMP CCCCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001752705745 1440202434 /nfs/dbraw/zinc/20/24/34/1440202434.db2.gz BIKWGFOCJBLNIS-MOPGFXCFSA-N 2 1 346.519 3.085 20 0 EGADMP CCCCCC[N@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001752783211 1440209892 /nfs/dbraw/zinc/20/98/92/1440209892.db2.gz WBKDXBUQVZQBRT-LJQANCHMSA-N 2 1 349.563 3.271 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H](C[NH2+]CCCC3CCCC3)C2)C1 ZINC001752809509 1440216292 /nfs/dbraw/zinc/21/62/92/1440216292.db2.gz FNVKCKMDTVFYSL-WOJBJXKFSA-N 2 1 349.563 3.127 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001752818804 1440219482 /nfs/dbraw/zinc/21/94/82/1440219482.db2.gz JDLPISDGMPZEDY-PDTMIUJASA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001752818804 1440219483 /nfs/dbraw/zinc/21/94/83/1440219483.db2.gz JDLPISDGMPZEDY-PDTMIUJASA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001752818804 1440219484 /nfs/dbraw/zinc/21/94/84/1440219484.db2.gz JDLPISDGMPZEDY-PDTMIUJASA-N 2 1 349.563 3.434 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCCC1 ZINC001752820044 1440219950 /nfs/dbraw/zinc/21/99/50/1440219950.db2.gz ICGXKYFINVLTKC-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001752825209 1440223248 /nfs/dbraw/zinc/22/32/48/1440223248.db2.gz NHQNHKOTLOVNSQ-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001752835198 1440227292 /nfs/dbraw/zinc/22/72/92/1440227292.db2.gz CEUJHBNNWXHKTG-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001752841455 1440230593 /nfs/dbraw/zinc/23/05/93/1440230593.db2.gz QUMARCUQSRWMMR-MSOLQXFVSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001752841455 1440230594 /nfs/dbraw/zinc/23/05/94/1440230594.db2.gz QUMARCUQSRWMMR-MSOLQXFVSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001752841455 1440230595 /nfs/dbraw/zinc/23/05/95/1440230595.db2.gz QUMARCUQSRWMMR-MSOLQXFVSA-N 2 1 339.568 3.371 20 0 EGADMP CCCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001752852597 1440233942 /nfs/dbraw/zinc/23/39/42/1440233942.db2.gz LYASIYCWOMLIAB-ACBHZAAOSA-N 2 1 337.552 3.457 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001752877000 1440238271 /nfs/dbraw/zinc/23/82/71/1440238271.db2.gz KVSRCNNLEFMFPL-SJLPKXTDSA-N 2 1 337.552 3.172 20 0 EGADMP CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001752949481 1440251874 /nfs/dbraw/zinc/25/18/74/1440251874.db2.gz LXHZBLLKMVVMLY-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+](CC1=CCCCC1)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001753000332 1440264112 /nfs/dbraw/zinc/26/41/12/1440264112.db2.gz QNCHMNRHJHPHEW-FQEVSTJZSA-N 2 1 347.547 3.286 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001753029562 1440272538 /nfs/dbraw/zinc/27/25/38/1440272538.db2.gz FGONOZDWEUXENK-LJQANCHMSA-N 2 1 347.547 3.189 20 0 EGADMP C[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CC1CCCCCC1 ZINC001753052891 1440280031 /nfs/dbraw/zinc/28/00/31/1440280031.db2.gz JEYMBQSGTWBGGA-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)CC1CCCCCC1 ZINC001753052891 1440280032 /nfs/dbraw/zinc/28/00/32/1440280032.db2.gz JEYMBQSGTWBGGA-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)CC1CCCCCC1 ZINC001753052891 1440280033 /nfs/dbraw/zinc/28/00/33/1440280033.db2.gz JEYMBQSGTWBGGA-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)CCC2CCCCCC2)CC[N@H+]1C ZINC001753062093 1440283921 /nfs/dbraw/zinc/28/39/21/1440283921.db2.gz VFYXJLGTENCCQD-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCC[N@H+](C)CCC2CCCCCC2)CC[NH+]1C ZINC001753062093 1440283922 /nfs/dbraw/zinc/28/39/22/1440283922.db2.gz VFYXJLGTENCCQD-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCC[N@@H+](C)CCC2CCCCCC2)CC[NH+]1C ZINC001753062093 1440283923 /nfs/dbraw/zinc/28/39/23/1440283923.db2.gz VFYXJLGTENCCQD-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)[C@@H](C)c2cccc(F)c2)CC[N@H+]1C ZINC001753082238 1440294566 /nfs/dbraw/zinc/29/45/66/1440294566.db2.gz HDIGQSRSMIFZTL-ZYSHUDEJSA-N 2 1 349.494 3.055 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](CC)[C@@H](C)c2cccc(F)c2)CC[NH+]1C ZINC001753082238 1440294567 /nfs/dbraw/zinc/29/45/67/1440294567.db2.gz HDIGQSRSMIFZTL-ZYSHUDEJSA-N 2 1 349.494 3.055 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](CC)[C@@H](C)c2cccc(F)c2)CC[NH+]1C ZINC001753082238 1440294568 /nfs/dbraw/zinc/29/45/68/1440294568.db2.gz HDIGQSRSMIFZTL-ZYSHUDEJSA-N 2 1 349.494 3.055 20 0 EGADMP CC[N@@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CCc2ccccc21 ZINC001753088367 1440297853 /nfs/dbraw/zinc/29/78/53/1440297853.db2.gz GCJHPNGEPHIQHE-LJQANCHMSA-N 2 1 345.531 3.090 20 0 EGADMP CC[NH+](CCNC(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1CCc2ccccc21 ZINC001753088367 1440297854 /nfs/dbraw/zinc/29/78/54/1440297854.db2.gz GCJHPNGEPHIQHE-LJQANCHMSA-N 2 1 345.531 3.090 20 0 EGADMP CC[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1CCc2ccccc21 ZINC001753088367 1440297855 /nfs/dbraw/zinc/29/78/55/1440297855.db2.gz GCJHPNGEPHIQHE-LJQANCHMSA-N 2 1 345.531 3.090 20 0 EGADMP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C(C)C)CC1CCC(C)CC1 ZINC001753090281 1440298873 /nfs/dbraw/zinc/29/88/73/1440298873.db2.gz MOPOHYIKISHUHV-UHFFFAOYSA-N 2 1 348.535 3.271 20 0 EGADMP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C(C)C)CC1CCC(C)CC1 ZINC001753090281 1440298874 /nfs/dbraw/zinc/29/88/74/1440298874.db2.gz MOPOHYIKISHUHV-UHFFFAOYSA-N 2 1 348.535 3.271 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001753105241 1440305951 /nfs/dbraw/zinc/30/59/51/1440305951.db2.gz ANQCZLIRQZORHD-RBUKOAKNSA-N 2 1 335.536 3.164 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001753105241 1440305952 /nfs/dbraw/zinc/30/59/52/1440305952.db2.gz ANQCZLIRQZORHD-RBUKOAKNSA-N 2 1 335.536 3.164 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001753105241 1440305953 /nfs/dbraw/zinc/30/59/53/1440305953.db2.gz ANQCZLIRQZORHD-RBUKOAKNSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001753139302 1440320440 /nfs/dbraw/zinc/32/04/40/1440320440.db2.gz YPDREBQYTZQAMN-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001753139302 1440320441 /nfs/dbraw/zinc/32/04/41/1440320441.db2.gz YPDREBQYTZQAMN-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001753139302 1440320442 /nfs/dbraw/zinc/32/04/42/1440320442.db2.gz YPDREBQYTZQAMN-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NCC[N@@H+](CCC(C)(C)C)C2CC2)CC1 ZINC001753162245 1440334649 /nfs/dbraw/zinc/33/46/49/1440334649.db2.gz ZAVPPYJTMSQRML-UHFFFAOYSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](CCC1CCCCC1)C1CC1 ZINC001753164746 1440335662 /nfs/dbraw/zinc/33/56/62/1440335662.db2.gz FOEVFEUUWDZVOV-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](CCC1CCCCC1)C1CC1 ZINC001753164746 1440335663 /nfs/dbraw/zinc/33/56/63/1440335663.db2.gz FOEVFEUUWDZVOV-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](CCC1CCCCC1)C1CC1 ZINC001753164746 1440335664 /nfs/dbraw/zinc/33/56/64/1440335664.db2.gz FOEVFEUUWDZVOV-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001753240476 1440342120 /nfs/dbraw/zinc/34/21/20/1440342120.db2.gz UITLQQSCIBITAS-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001753294277 1440351542 /nfs/dbraw/zinc/35/15/42/1440351542.db2.gz JGZUOCQNIFIDQW-XLIONFOSSA-N 2 1 345.531 3.307 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001753315631 1440359298 /nfs/dbraw/zinc/35/92/98/1440359298.db2.gz CAUGTWJTTWOQCP-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001753335131 1440371771 /nfs/dbraw/zinc/37/17/71/1440371771.db2.gz JLZRGQCQLZXGGV-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001753335131 1440371772 /nfs/dbraw/zinc/37/17/72/1440371772.db2.gz JLZRGQCQLZXGGV-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001753335131 1440371773 /nfs/dbraw/zinc/37/17/73/1440371773.db2.gz JLZRGQCQLZXGGV-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001753359295 1440381779 /nfs/dbraw/zinc/38/17/79/1440381779.db2.gz WJODNHHQOGOSSB-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001753359295 1440381780 /nfs/dbraw/zinc/38/17/80/1440381780.db2.gz WJODNHHQOGOSSB-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001753359295 1440381781 /nfs/dbraw/zinc/38/17/81/1440381781.db2.gz WJODNHHQOGOSSB-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CC2CCCCCC2)C1 ZINC001753360092 1440382296 /nfs/dbraw/zinc/38/22/96/1440382296.db2.gz PYJKWIMPDPOXAE-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCCC2)C1 ZINC001753360092 1440382297 /nfs/dbraw/zinc/38/22/97/1440382297.db2.gz PYJKWIMPDPOXAE-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCCC2)C1 ZINC001753360092 1440382298 /nfs/dbraw/zinc/38/22/98/1440382298.db2.gz PYJKWIMPDPOXAE-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001753403696 1440391515 /nfs/dbraw/zinc/39/15/15/1440391515.db2.gz FXYDTSHKIXKEQQ-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+]2CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001753428641 1440397681 /nfs/dbraw/zinc/39/76/81/1440397681.db2.gz HTNWSXAYWQHODO-CMKODMSKSA-N 2 1 345.531 3.141 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753438487 1440400669 /nfs/dbraw/zinc/40/06/69/1440400669.db2.gz AHJDPJVAJKUQMV-QZTJIDSGSA-N 2 1 343.515 3.073 20 0 EGADMP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001753460440 1440410181 /nfs/dbraw/zinc/41/01/81/1440410181.db2.gz YFSYDARPOZKRMH-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001753461093 1440410800 /nfs/dbraw/zinc/41/08/00/1440410800.db2.gz DDRPWVCCOMMTCG-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CCN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001753461093 1440410801 /nfs/dbraw/zinc/41/08/01/1440410801.db2.gz DDRPWVCCOMMTCG-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001753461093 1440410802 /nfs/dbraw/zinc/41/08/02/1440410802.db2.gz DDRPWVCCOMMTCG-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC1(C[NH2+]CC2CCCC2)CCCC1 ZINC001753508818 1440425328 /nfs/dbraw/zinc/42/53/28/1440425328.db2.gz SNUCWWVCBTXGHV-UHFFFAOYSA-N 2 1 346.519 3.181 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]CCCC(C)(C)C)CC1 ZINC001753584501 1440440852 /nfs/dbraw/zinc/44/08/52/1440440852.db2.gz XNDXTFKFRNFJDV-QAQDUYKDSA-N 2 1 334.508 3.035 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001753605039 1440447807 /nfs/dbraw/zinc/44/78/07/1440447807.db2.gz VPBGSOHVHCUSMD-IBGZPJMESA-N 2 1 349.563 3.223 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C[NH2+]CC1CC(C)(C)C1 ZINC001753617972 1440450121 /nfs/dbraw/zinc/45/01/21/1440450121.db2.gz CADSLWIOSWYDSF-APWZRJJASA-N 2 1 349.563 3.172 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C[NH2+]CC1CCCC1 ZINC001753641539 1440454642 /nfs/dbraw/zinc/45/46/42/1440454642.db2.gz XJNZTGYZKIUKTK-PXNSSMCTSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001753664236 1440459726 /nfs/dbraw/zinc/45/97/26/1440459726.db2.gz REPJRMUYYCEESI-LJQANCHMSA-N 2 1 349.563 3.460 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2cc(C)cc(C)c2)CCCC1 ZINC001753671518 1440462295 /nfs/dbraw/zinc/46/22/95/1440462295.db2.gz REISNEULHSXTES-UHFFFAOYSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001753673706 1440462785 /nfs/dbraw/zinc/46/27/85/1440462785.db2.gz BALBFPHLRSQYKY-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C)cc1C ZINC001753695592 1440467441 /nfs/dbraw/zinc/46/74/41/1440467441.db2.gz SURIIWRJYZDITE-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C[NH2+]CC1CC(C)C1)C1CCCCC1 ZINC001753749837 1440482275 /nfs/dbraw/zinc/48/22/75/1440482275.db2.gz RFHRLXCMLJISMK-TVPLGVNVSA-N 2 1 337.552 3.027 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC(CC[N@H+](C)CC3CC3)CC2)C1 ZINC001753824302 1440497840 /nfs/dbraw/zinc/49/78/40/1440497840.db2.gz YROFHFJEKQDIIN-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H]([NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)C(C)C)c1ccccc1 ZINC001753834470 1440500560 /nfs/dbraw/zinc/50/05/60/1440500560.db2.gz KUPYHBMPXQSDOB-OALUTQOASA-N 2 1 342.487 3.073 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CCCC2CCCC2)C1 ZINC001753874732 1440518622 /nfs/dbraw/zinc/51/86/22/1440518622.db2.gz BHTKCKDBDAPQOM-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCC2CCCC2)C1 ZINC001753874732 1440518623 /nfs/dbraw/zinc/51/86/23/1440518623.db2.gz BHTKCKDBDAPQOM-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCCC2CCCC2)C1 ZINC001753874732 1440518624 /nfs/dbraw/zinc/51/86/24/1440518624.db2.gz BHTKCKDBDAPQOM-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CC[NH2+]CCC1CCCCCC1 ZINC001753983476 1440528323 /nfs/dbraw/zinc/52/83/23/1440528323.db2.gz ZZBWUANLGQLDPY-MRXNPFEDSA-N 2 1 334.508 3.036 20 0 EGADMP CCc1cccc(C[NH2+]CCN(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001754045491 1440535054 /nfs/dbraw/zinc/53/50/54/1440535054.db2.gz QTQQMRMSAUSBJE-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP CC[C@H]([NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC001754253529 1440558606 /nfs/dbraw/zinc/55/86/06/1440558606.db2.gz PKVJEZDJJAZXNH-DYVFJYSZSA-N 2 1 348.878 3.091 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1C ZINC001754354176 1440591287 /nfs/dbraw/zinc/59/12/87/1440591287.db2.gz QZSUKYYCGVWCLF-UXHICEINSA-N 2 1 345.531 3.101 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1C ZINC001754354175 1440591381 /nfs/dbraw/zinc/59/13/81/1440591381.db2.gz QZSUKYYCGVWCLF-PMACEKPBSA-N 2 1 345.531 3.101 20 0 EGADMP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)cs1 ZINC001754379833 1440593212 /nfs/dbraw/zinc/59/32/12/1440593212.db2.gz GWZUZAVTNYLSKD-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP CCc1ccc(C[NH2+]CCCN(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001754416634 1440596914 /nfs/dbraw/zinc/59/69/14/1440596914.db2.gz RIPPTGNGESEGNC-HDICACEKSA-N 2 1 345.531 3.060 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C2CC2)c1 ZINC001754443451 1440599604 /nfs/dbraw/zinc/59/96/04/1440599604.db2.gz XYEFGQVIVLAZHC-OXQOHEQNSA-N 2 1 343.515 3.025 20 0 EGADMP CCCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1CC ZINC001754471201 1440605459 /nfs/dbraw/zinc/60/54/59/1440605459.db2.gz WOWVHXPOXHRWNS-ROUUACIJSA-N 2 1 339.568 3.371 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001754506165 1440616502 /nfs/dbraw/zinc/61/65/02/1440616502.db2.gz XOZMJPRJFKZXJV-RTBURBONSA-N 2 1 343.515 3.123 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001754537894 1440625298 /nfs/dbraw/zinc/62/52/98/1440625298.db2.gz FYOFDGFCKKIGAC-HCZHMGAMSA-N 2 1 349.563 3.243 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001754537894 1440625299 /nfs/dbraw/zinc/62/52/99/1440625299.db2.gz FYOFDGFCKKIGAC-HCZHMGAMSA-N 2 1 349.563 3.243 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001754537894 1440625300 /nfs/dbraw/zinc/62/53/00/1440625300.db2.gz FYOFDGFCKKIGAC-HCZHMGAMSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001754544355 1440626946 /nfs/dbraw/zinc/62/69/46/1440626946.db2.gz QZFGRZPVSBUFPJ-HAGHYFMRSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001754544355 1440626947 /nfs/dbraw/zinc/62/69/47/1440626947.db2.gz QZFGRZPVSBUFPJ-HAGHYFMRSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001754544355 1440626948 /nfs/dbraw/zinc/62/69/48/1440626948.db2.gz QZFGRZPVSBUFPJ-HAGHYFMRSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)=CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)C1CCCCCC1 ZINC001754547863 1440628492 /nfs/dbraw/zinc/62/84/92/1440628492.db2.gz UAJAQRQVGSWRJF-UHFFFAOYSA-N 2 1 346.519 3.299 20 0 EGADMP CC(C)=CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)C1CCCCCC1 ZINC001754547863 1440628493 /nfs/dbraw/zinc/62/84/93/1440628493.db2.gz UAJAQRQVGSWRJF-UHFFFAOYSA-N 2 1 346.519 3.299 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001754561477 1440633766 /nfs/dbraw/zinc/63/37/66/1440633766.db2.gz VAJVZLKLJGDDTH-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001754609997 1440643764 /nfs/dbraw/zinc/64/37/64/1440643764.db2.gz XMBXJBJBEVDMCX-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CCCC[NH+]1CCC(C)(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001754626733 1440646576 /nfs/dbraw/zinc/64/65/76/1440646576.db2.gz NSYARCKNOBHGCR-MRXNPFEDSA-N 2 1 334.508 3.167 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001754677058 1440660322 /nfs/dbraw/zinc/66/03/22/1440660322.db2.gz YYLZCLDRVJXXDH-PXNSSMCTSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001754677058 1440660323 /nfs/dbraw/zinc/66/03/23/1440660323.db2.gz YYLZCLDRVJXXDH-PXNSSMCTSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001754677058 1440660324 /nfs/dbraw/zinc/66/03/24/1440660324.db2.gz YYLZCLDRVJXXDH-PXNSSMCTSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@]1(C)CC[N@H+](CC2CCCCC2)C1 ZINC001754682698 1440663532 /nfs/dbraw/zinc/66/35/32/1440663532.db2.gz PPTFEIHMGVNDSE-FQEVSTJZSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@]1(C)CC[N@@H+](CC2CCCCC2)C1 ZINC001754682698 1440663533 /nfs/dbraw/zinc/66/35/33/1440663533.db2.gz PPTFEIHMGVNDSE-FQEVSTJZSA-N 2 1 346.519 3.133 20 0 EGADMP CC(C)=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001754720009 1440672861 /nfs/dbraw/zinc/67/28/61/1440672861.db2.gz FWKLGNIMRJSMBV-LJQANCHMSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001754735669 1440682250 /nfs/dbraw/zinc/68/22/50/1440682250.db2.gz IBFVHPDPPQTACG-PXNSSMCTSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC1CCCCC1)C2 ZINC001754783272 1440686834 /nfs/dbraw/zinc/68/68/34/1440686834.db2.gz NJJQVDMCTDIZEX-UFYCRDLUSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCCC1)C2 ZINC001754783272 1440686835 /nfs/dbraw/zinc/68/68/35/1440686835.db2.gz NJJQVDMCTDIZEX-UFYCRDLUSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCCC1)C2 ZINC001754783272 1440686836 /nfs/dbraw/zinc/68/68/36/1440686836.db2.gz NJJQVDMCTDIZEX-UFYCRDLUSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001754870990 1440705216 /nfs/dbraw/zinc/70/52/16/1440705216.db2.gz FQVRPNXBRCIHJE-ZYHOBAKYSA-N 2 1 344.503 3.003 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001754870990 1440705217 /nfs/dbraw/zinc/70/52/17/1440705217.db2.gz FQVRPNXBRCIHJE-ZYHOBAKYSA-N 2 1 344.503 3.003 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](CC[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001754940342 1440711707 /nfs/dbraw/zinc/71/17/07/1440711707.db2.gz NKGOYTZLWCZBFV-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP Cc1ccc(C)c(C[NH+]2CCC[C@H](NC(=O)C[N@H+](C)C(C)C)CC2)c1 ZINC001755033784 1440733123 /nfs/dbraw/zinc/73/31/23/1440733123.db2.gz FCSJRMLQOAHIHW-FQEVSTJZSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC2)c1 ZINC001755033784 1440733124 /nfs/dbraw/zinc/73/31/24/1440733124.db2.gz FCSJRMLQOAHIHW-FQEVSTJZSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC2)c1 ZINC001755033784 1440733125 /nfs/dbraw/zinc/73/31/25/1440733125.db2.gz FCSJRMLQOAHIHW-FQEVSTJZSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)CCC[N@@H+](C)CC[C@H]1CCC[C@@H](C)C1 ZINC001755038928 1440735816 /nfs/dbraw/zinc/73/58/16/1440735816.db2.gz KMCQFVCQUJJMLS-IEBWSBKVSA-N 2 1 348.535 3.188 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)CCC[N@H+](C)CC[C@H]1CCC[C@@H](C)C1 ZINC001755038928 1440735817 /nfs/dbraw/zinc/73/58/17/1440735817.db2.gz KMCQFVCQUJJMLS-IEBWSBKVSA-N 2 1 348.535 3.188 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)CCC[N@H+](C)CCC2CCCCC2)C1 ZINC001755042686 1440738284 /nfs/dbraw/zinc/73/82/84/1440738284.db2.gz CYNXXUJPJGNYCG-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)CCC[N@@H+](C)CCC2CCCCC2)C1 ZINC001755042686 1440738285 /nfs/dbraw/zinc/73/82/85/1440738285.db2.gz CYNXXUJPJGNYCG-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CCC[NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001755043411 1440738992 /nfs/dbraw/zinc/73/89/92/1440738992.db2.gz VQNMAQLABHNJKI-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)CCC[N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001755043411 1440738993 /nfs/dbraw/zinc/73/89/93/1440738993.db2.gz VQNMAQLABHNJKI-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)CCC[N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001755043411 1440738994 /nfs/dbraw/zinc/73/89/94/1440738994.db2.gz VQNMAQLABHNJKI-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CN(CCC[N@@H+](C)CCC1CCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001755045725 1440740772 /nfs/dbraw/zinc/74/07/72/1440740772.db2.gz GMDXRRHDKYNORO-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CCC[NH+](C)CCC1CCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001755045725 1440740773 /nfs/dbraw/zinc/74/07/73/1440740773.db2.gz GMDXRRHDKYNORO-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CCC[NH+](C)CCC1CCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001755045725 1440740774 /nfs/dbraw/zinc/74/07/74/1440740774.db2.gz GMDXRRHDKYNORO-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001755071218 1440746592 /nfs/dbraw/zinc/74/65/92/1440746592.db2.gz LGLKCEQECGTDCX-XSAZBNQGSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001755111556 1440754347 /nfs/dbraw/zinc/75/43/47/1440754347.db2.gz HMHWQMAUEIDAFP-FUHWJXTLSA-N 2 1 335.536 3.042 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)CC1(C)C ZINC001755141867 1440760807 /nfs/dbraw/zinc/76/08/07/1440760807.db2.gz KOBSECDDPJFXLE-HKUYNNGSSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)CC1(C)C ZINC001755141867 1440760808 /nfs/dbraw/zinc/76/08/08/1440760808.db2.gz KOBSECDDPJFXLE-HKUYNNGSSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)CC1(C)C ZINC001755141867 1440760809 /nfs/dbraw/zinc/76/08/09/1440760809.db2.gz KOBSECDDPJFXLE-HKUYNNGSSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001755142702 1440761615 /nfs/dbraw/zinc/76/16/15/1440761615.db2.gz DQNQXLHOYRXYAO-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP CN(CC(C)(C)C[NH2+]CC1CCCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001755286400 1440802150 /nfs/dbraw/zinc/80/21/50/1440802150.db2.gz UNWMNZWUEALSLO-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001755368480 1440836225 /nfs/dbraw/zinc/83/62/25/1440836225.db2.gz RXDNMQFYQVDDJS-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001755407510 1440844784 /nfs/dbraw/zinc/84/47/84/1440844784.db2.gz MLICAIAMDJBFMA-RCCFBDPRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC001755407510 1440844785 /nfs/dbraw/zinc/84/47/85/1440844785.db2.gz MLICAIAMDJBFMA-RCCFBDPRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC001755407510 1440844786 /nfs/dbraw/zinc/84/47/86/1440844786.db2.gz MLICAIAMDJBFMA-RCCFBDPRSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCC3CCCCC3)CC2(C)C)CCC1 ZINC001755411684 1440846624 /nfs/dbraw/zinc/84/66/24/1440846624.db2.gz GBZIUWSFWKXTBW-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755414899 1440847986 /nfs/dbraw/zinc/84/79/86/1440847986.db2.gz CKYKVPGWSZIMGQ-MAUKXSAKSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755414899 1440847987 /nfs/dbraw/zinc/84/79/87/1440847987.db2.gz CKYKVPGWSZIMGQ-MAUKXSAKSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)cc2)CC1(C)C ZINC001755414899 1440847988 /nfs/dbraw/zinc/84/79/88/1440847988.db2.gz CKYKVPGWSZIMGQ-MAUKXSAKSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)c2ccccc2C)CC1(C)C ZINC001755417082 1440849480 /nfs/dbraw/zinc/84/94/80/1440849480.db2.gz YERHDKYZKNKXJC-IEBWSBKVSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccccc2C)CC1(C)C ZINC001755417082 1440849481 /nfs/dbraw/zinc/84/94/81/1440849481.db2.gz YERHDKYZKNKXJC-IEBWSBKVSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccccc2C)CC1(C)C ZINC001755417082 1440849482 /nfs/dbraw/zinc/84/94/82/1440849482.db2.gz YERHDKYZKNKXJC-IEBWSBKVSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)[C@H]1C ZINC001755663683 1440893133 /nfs/dbraw/zinc/89/31/33/1440893133.db2.gz NIUSKZCQYAEPLZ-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC001755724867 1440909109 /nfs/dbraw/zinc/90/91/09/1440909109.db2.gz YVOUPKHNUQORNT-LUNNPTDRSA-N 2 1 346.519 3.332 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC001755724867 1440909110 /nfs/dbraw/zinc/90/91/10/1440909110.db2.gz YVOUPKHNUQORNT-LUNNPTDRSA-N 2 1 346.519 3.332 20 0 EGADMP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001755825934 1440927284 /nfs/dbraw/zinc/92/72/84/1440927284.db2.gz XBKOGSOQNGJHDZ-RTBURBONSA-N 2 1 349.563 3.480 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001755831272 1440928756 /nfs/dbraw/zinc/92/87/56/1440928756.db2.gz WKEZZOFYUANHCB-ICUWKNINSA-N 2 1 337.552 3.338 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C2CC[NH+](CC3CC(C)(C)C3)CC2)CC1 ZINC001755870222 1440938827 /nfs/dbraw/zinc/93/88/27/1440938827.db2.gz YVGHRVPBDBKYDK-UHFFFAOYSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H](C(=O)NCC1=CC[N@@H+](CCC(C)(C)C)CC1)[NH+]1CCCCCC1 ZINC001755894198 1440942253 /nfs/dbraw/zinc/94/22/53/1440942253.db2.gz PAFYOIVGQKEOPI-GOSISDBHSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001755896740 1440942672 /nfs/dbraw/zinc/94/26/72/1440942672.db2.gz BYHUQVACUXYTTR-LJQANCHMSA-N 2 1 349.563 3.149 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)nc1 ZINC001164619559 719124810 /nfs/dbraw/zinc/12/48/10/719124810.db2.gz FERNKCYRKSYTNA-RCCFBDPRSA-N 2 1 346.494 3.142 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(C[NH+](C)C)CC2)nc1 ZINC001165041925 721950950 /nfs/dbraw/zinc/95/09/50/721950950.db2.gz CCCDLELDWDRWDW-LJQANCHMSA-N 2 1 330.520 3.407 20 0 EGADMP O[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000368470577 168360586 /nfs/dbraw/zinc/36/05/86/168360586.db2.gz NVLDAUYEJRKTBW-ZSYZGHEHSA-N 2 1 342.527 3.428 20 0 EGADMP c1ccc(-c2noc(CC[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000173881745 231060581 /nfs/dbraw/zinc/06/05/81/231060581.db2.gz GSLGWXYXTUMJEG-QGZVFWFLSA-N 2 1 340.471 3.087 20 0 EGADMP c1ccc(-c2noc(CC[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000173881745 231060584 /nfs/dbraw/zinc/06/05/84/231060584.db2.gz GSLGWXYXTUMJEG-QGZVFWFLSA-N 2 1 340.471 3.087 20 0 EGADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc2c(c1)OCCO2 ZINC000164621055 529596988 /nfs/dbraw/zinc/59/69/88/529596988.db2.gz MQTKAQJGIXDQTO-KRWDZBQOSA-N 2 1 329.444 3.484 20 0 EGADMP Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)s1 ZINC000178375786 232149823 /nfs/dbraw/zinc/14/98/23/232149823.db2.gz MSNQVXOBTOBCAR-CQSZACIVSA-N 2 1 345.512 3.443 20 0 EGADMP COc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)ccc1OCc1ccncc1 ZINC000068353061 215302389 /nfs/dbraw/zinc/30/23/89/215302389.db2.gz RVTWNTIIIPGGNQ-INIZCTEOSA-N 2 1 343.471 3.099 20 0 EGADMP C[C@H]1C[C@H](NC(=O)CC2(C[NH3+])CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000184242004 235344800 /nfs/dbraw/zinc/34/48/00/235344800.db2.gz FEJVLALRGLGQCE-HKUYNNGSSA-N 2 1 343.515 3.065 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354421483 283208854 /nfs/dbraw/zinc/20/88/54/283208854.db2.gz FZKPVUUZAQOXBQ-MSOLQXFVSA-N 2 1 325.541 3.220 20 0 EGADMP Fc1ccc(Br)c(F)c1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000230306969 242258294 /nfs/dbraw/zinc/25/82/94/242258294.db2.gz KUFKMVNPENEVJM-SNVBAGLBSA-N 2 1 345.231 3.301 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2=Cc3ccccc3OC2)[C@@H](C)C1 ZINC000247085758 243372618 /nfs/dbraw/zinc/37/26/18/243372618.db2.gz DGQMQFOQEMDJIG-FXAWDEMLSA-N 2 1 344.499 3.189 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000263230053 245366446 /nfs/dbraw/zinc/36/64/46/245366446.db2.gz BUUPZTSBNCSODH-APWZRJJASA-N 2 1 343.515 3.195 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000264153359 246115593 /nfs/dbraw/zinc/11/55/93/246115593.db2.gz ZXIOJXMRGQATIE-ICSRJNTNSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)COc2ccccc2)C1 ZINC000265085412 247187685 /nfs/dbraw/zinc/18/76/85/247187685.db2.gz SMHGVROTHWUYKZ-VAMGGRTRSA-N 2 1 346.515 3.013 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)COc2ccccc2)C1 ZINC000265085412 247187688 /nfs/dbraw/zinc/18/76/88/247187688.db2.gz SMHGVROTHWUYKZ-VAMGGRTRSA-N 2 1 346.515 3.013 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2)C1 ZINC000265085412 247187690 /nfs/dbraw/zinc/18/76/90/247187690.db2.gz SMHGVROTHWUYKZ-VAMGGRTRSA-N 2 1 346.515 3.013 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2)C1 ZINC000265085412 247187694 /nfs/dbraw/zinc/18/76/94/247187694.db2.gz SMHGVROTHWUYKZ-VAMGGRTRSA-N 2 1 346.515 3.013 20 0 EGADMP Cc1nccn1CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377337844 169012131 /nfs/dbraw/zinc/01/21/31/169012131.db2.gz QNMJBWDYZYNRPO-NHCUHLMSSA-N 2 1 338.499 3.036 20 0 EGADMP Cc1nccn1CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377337844 169012133 /nfs/dbraw/zinc/01/21/33/169012133.db2.gz QNMJBWDYZYNRPO-NHCUHLMSSA-N 2 1 338.499 3.036 20 0 EGADMP Cc1nccn1CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377337844 169012137 /nfs/dbraw/zinc/01/21/37/169012137.db2.gz QNMJBWDYZYNRPO-NHCUHLMSSA-N 2 1 338.499 3.036 20 0 EGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OC(F)F)c(F)c3)CC[C@@H]21 ZINC000092043112 218109739 /nfs/dbraw/zinc/10/97/39/218109739.db2.gz BHJWBZMKSZWKDU-HIFRSBDPSA-N 2 1 328.378 3.343 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OC(F)F)c(F)c3)CC[C@@H]21 ZINC000092043112 218109742 /nfs/dbraw/zinc/10/97/42/218109742.db2.gz BHJWBZMKSZWKDU-HIFRSBDPSA-N 2 1 328.378 3.343 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(OC(F)F)c(F)c3)CC[C@@H]21 ZINC000092043112 218109744 /nfs/dbraw/zinc/10/97/44/218109744.db2.gz BHJWBZMKSZWKDU-HIFRSBDPSA-N 2 1 328.378 3.343 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)c(F)c3)CC[C@@H]21 ZINC000092043112 218109746 /nfs/dbraw/zinc/10/97/46/218109746.db2.gz BHJWBZMKSZWKDU-HIFRSBDPSA-N 2 1 328.378 3.343 20 0 EGADMP COc1ccccc1COC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000092422131 218140794 /nfs/dbraw/zinc/14/07/94/218140794.db2.gz GPZDIJPARBXISY-SFHVURJKSA-N 2 1 332.488 3.161 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)CC(C)C ZINC000353845540 284770226 /nfs/dbraw/zinc/77/02/26/284770226.db2.gz OJUAKALPOLJABR-RTBURBONSA-N 2 1 333.520 3.162 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000268755767 252205790 /nfs/dbraw/zinc/20/57/90/252205790.db2.gz LPQMBZWPXBBFSD-MAODMQOUSA-N 2 1 342.458 3.359 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000268762379 252211386 /nfs/dbraw/zinc/21/13/86/252211386.db2.gz OOYHDJRCZONGMB-HNNXBMFYSA-N 2 1 344.503 3.494 20 0 EGADMP CC(C)[N@@H+](C)CCCNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268788980 252240460 /nfs/dbraw/zinc/24/04/60/252240460.db2.gz WZQMLHRRKNYOIF-UHFFFAOYSA-N 2 1 335.511 3.153 20 0 EGADMP CC(C)[N@H+](C)CCC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000268788980 252240461 /nfs/dbraw/zinc/24/04/61/252240461.db2.gz WZQMLHRRKNYOIF-UHFFFAOYSA-N 2 1 335.511 3.153 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000268788980 252240466 /nfs/dbraw/zinc/24/04/66/252240466.db2.gz WZQMLHRRKNYOIF-UHFFFAOYSA-N 2 1 335.511 3.153 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000268806936 252260066 /nfs/dbraw/zinc/26/00/66/252260066.db2.gz JIVOGDJOTLAQIC-VNHYZAJKSA-N 2 1 344.425 3.221 20 0 EGADMP Oc1ccc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000268832698 252282030 /nfs/dbraw/zinc/28/20/30/252282030.db2.gz WZVNAEHZVHZYCS-UHFFFAOYSA-N 2 1 342.458 3.371 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000268872541 252321573 /nfs/dbraw/zinc/32/15/73/252321573.db2.gz GLRADIVYUHHAPK-RLCCDNCMSA-N 2 1 331.287 3.347 20 0 EGADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000151380728 285245427 /nfs/dbraw/zinc/24/54/27/285245427.db2.gz REUXVPBKYFISCK-MRXNPFEDSA-N 2 1 343.298 3.417 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C[C@H](C)OC)C(C)C)CC1 ZINC000353777870 285339371 /nfs/dbraw/zinc/33/93/71/285339371.db2.gz ZAWMVUQLJUNNKY-SFHVURJKSA-N 2 1 333.520 3.074 20 0 EGADMP c1ccc(OCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000328606922 258040814 /nfs/dbraw/zinc/04/08/14/258040814.db2.gz TYUFTKQVUFNJGU-IBGZPJMESA-N 2 1 325.456 3.105 20 0 EGADMP c1ccc(OCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000328606922 258040816 /nfs/dbraw/zinc/04/08/16/258040816.db2.gz TYUFTKQVUFNJGU-IBGZPJMESA-N 2 1 325.456 3.105 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)CC[N@H+]1C ZINC000178462513 533644285 /nfs/dbraw/zinc/64/42/85/533644285.db2.gz AXRZVIOIRZWMFV-AEFFLSMTSA-N 2 1 344.499 3.342 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000246532260 141014189 /nfs/dbraw/zinc/01/41/89/141014189.db2.gz VLJHIBBRXPZRSU-ZOBUZTSGSA-N 2 1 328.460 3.160 20 0 EGADMP C[C@H](CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000246907234 141043085 /nfs/dbraw/zinc/04/30/85/141043085.db2.gz GDBNUUKTIYPFCG-XCJLJZCSSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000246907234 141043086 /nfs/dbraw/zinc/04/30/86/141043086.db2.gz GDBNUUKTIYPFCG-XCJLJZCSSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@H](CN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000246907234 141043087 /nfs/dbraw/zinc/04/30/87/141043087.db2.gz GDBNUUKTIYPFCG-XCJLJZCSSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@H](CN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000246907234 141043088 /nfs/dbraw/zinc/04/30/88/141043088.db2.gz GDBNUUKTIYPFCG-XCJLJZCSSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cncs1 ZINC000268872174 141059212 /nfs/dbraw/zinc/05/92/12/141059212.db2.gz VOZGTKNDRZKUDX-LSDHHAIUSA-N 2 1 331.485 3.215 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cncs1 ZINC000268872174 141059214 /nfs/dbraw/zinc/05/92/14/141059214.db2.gz VOZGTKNDRZKUDX-LSDHHAIUSA-N 2 1 331.485 3.215 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000338100444 141094228 /nfs/dbraw/zinc/09/42/28/141094228.db2.gz NNWOXSGVTCHCJG-PMACEKPBSA-N 2 1 343.515 3.275 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000338100444 141094231 /nfs/dbraw/zinc/09/42/31/141094231.db2.gz NNWOXSGVTCHCJG-PMACEKPBSA-N 2 1 343.515 3.275 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000338100444 141094235 /nfs/dbraw/zinc/09/42/35/141094235.db2.gz NNWOXSGVTCHCJG-PMACEKPBSA-N 2 1 343.515 3.275 20 0 EGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000346189766 141176314 /nfs/dbraw/zinc/17/63/14/141176314.db2.gz ZHNNIHLDYZRXEW-OAHLLOKOSA-N 2 1 339.468 3.412 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000352943999 141274368 /nfs/dbraw/zinc/27/43/68/141274368.db2.gz DLPTYDCMGOGRJB-OALUTQOASA-N 2 1 341.543 3.166 20 0 EGADMP CC(=O)N1CCC([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000353456699 141300458 /nfs/dbraw/zinc/30/04/58/141300458.db2.gz WJZXAHFXWYCXLQ-UHFFFAOYSA-N 2 1 343.515 3.030 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H](C)C3CCSCC3)CC2)nc(C)[nH+]1 ZINC000187281273 144156089 /nfs/dbraw/zinc/15/60/89/144156089.db2.gz GPEQPPJQJHXQQU-CQSZACIVSA-N 2 1 334.533 3.184 20 0 EGADMP Cc1ccoc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000343558003 144196910 /nfs/dbraw/zinc/19/69/10/144196910.db2.gz HCHBJQVSILHINV-UHFFFAOYSA-N 2 1 341.499 3.276 20 0 EGADMP CSCc1cnc(CN2CCC(Cc3[nH+]ccn3C)CC2)s1 ZINC000351481137 144267107 /nfs/dbraw/zinc/26/71/07/144267107.db2.gz CCDPSQFQFGQZOX-UHFFFAOYSA-N 2 1 336.530 3.194 20 0 EGADMP Cn1cc[nH+]c1N1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000351715306 144295399 /nfs/dbraw/zinc/29/53/99/144295399.db2.gz IQVJSBYOKNZDHB-UHFFFAOYSA-N 2 1 325.243 3.049 20 0 EGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000354466331 286149926 /nfs/dbraw/zinc/14/99/26/286149926.db2.gz RJFMIVBCZMEBFR-HKUYNNGSSA-N 2 1 338.536 3.205 20 0 EGADMP CCc1nc(NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)cc(C)[nH+]1 ZINC000341390681 155263392 /nfs/dbraw/zinc/26/33/92/155263392.db2.gz VECSBBUAVLGPRS-GOSISDBHSA-N 2 1 340.471 3.027 20 0 EGADMP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868602 152159416 /nfs/dbraw/zinc/15/94/16/152159416.db2.gz KXMLUOLCNXTZGT-HNNXBMFYSA-N 2 1 349.544 3.399 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000341598399 155377283 /nfs/dbraw/zinc/37/72/83/155377283.db2.gz FYTDAWVHPMNANA-MSOLQXFVSA-N 2 1 349.544 3.002 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H]3CCC=CO3)CC2)cs1 ZINC000194450690 153338250 /nfs/dbraw/zinc/33/82/50/153338250.db2.gz NFQQNVGOVKXOPR-KRWDZBQOSA-N 2 1 335.517 3.200 20 0 EGADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000310097548 154138826 /nfs/dbraw/zinc/13/88/26/154138826.db2.gz AGWFLFYAZXMKCP-QFBILLFUSA-N 2 1 325.456 3.090 20 0 EGADMP C[C@]1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000310088348 154140184 /nfs/dbraw/zinc/14/01/84/154140184.db2.gz PHIUMTMIAPRFNO-PWRODBHTSA-N 2 1 327.516 3.115 20 0 EGADMP C[C@]1(CN[C@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000310088348 154140187 /nfs/dbraw/zinc/14/01/87/154140187.db2.gz PHIUMTMIAPRFNO-PWRODBHTSA-N 2 1 327.516 3.115 20 0 EGADMP C[C@]1(CN[C@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310088348 154140194 /nfs/dbraw/zinc/14/01/94/154140194.db2.gz PHIUMTMIAPRFNO-PWRODBHTSA-N 2 1 327.516 3.115 20 0 EGADMP C[C@]1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000310088348 154140198 /nfs/dbraw/zinc/14/01/98/154140198.db2.gz PHIUMTMIAPRFNO-PWRODBHTSA-N 3 1 327.516 3.115 20 0 EGADMP C[C@]1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000310088348 154140202 /nfs/dbraw/zinc/14/02/02/154140202.db2.gz PHIUMTMIAPRFNO-PWRODBHTSA-N 3 1 327.516 3.115 20 0 EGADMP C[C@]1(C[NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000310088348 154140207 /nfs/dbraw/zinc/14/02/07/154140207.db2.gz PHIUMTMIAPRFNO-PWRODBHTSA-N 3 1 327.516 3.115 20 0 EGADMP C[C@]1(C[NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310088348 154140210 /nfs/dbraw/zinc/14/02/10/154140210.db2.gz PHIUMTMIAPRFNO-PWRODBHTSA-N 3 1 327.516 3.115 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346840138 156160789 /nfs/dbraw/zinc/16/07/89/156160789.db2.gz ZMUSDABFSAAMRT-SFHVURJKSA-N 2 1 326.488 3.229 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346840138 156160793 /nfs/dbraw/zinc/16/07/93/156160793.db2.gz ZMUSDABFSAAMRT-SFHVURJKSA-N 2 1 326.488 3.229 20 0 EGADMP C[N@H+](Cc1cccc2c1NCC2)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000346969859 156222222 /nfs/dbraw/zinc/22/22/22/156222222.db2.gz GEZFBSNJQKEPBE-UHFFFAOYSA-N 2 1 336.483 3.398 20 0 EGADMP Cc1nn2c(CN(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c(C(C)C)nc2s1 ZINC000348871092 156268883 /nfs/dbraw/zinc/26/88/83/156268883.db2.gz WDCNQAQNZIJINY-YIONKMFJSA-N 2 1 347.532 3.280 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc2cccnc21 ZINC000349065423 156340641 /nfs/dbraw/zinc/34/06/41/156340641.db2.gz ZSXFNZQPDWBFKD-FQEVSTJZSA-N 2 1 340.515 3.083 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000352651053 156399169 /nfs/dbraw/zinc/39/91/69/156399169.db2.gz DGPOTTWGGSXADY-HOTGVXAUSA-N 2 1 328.451 3.138 20 0 EGADMP CC(=O)N1CCCCC[C@H]1C1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000362103322 157023702 /nfs/dbraw/zinc/02/37/02/157023702.db2.gz RPRKDJXXFIGADL-FQEVSTJZSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)ccn1 ZINC000112298505 162170496 /nfs/dbraw/zinc/17/04/96/162170496.db2.gz XIHOFTSOHFYFEI-MRXNPFEDSA-N 2 1 327.403 3.380 20 0 EGADMP CCCC[N@H+](C)CC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC000112918568 162198215 /nfs/dbraw/zinc/19/82/15/162198215.db2.gz JAGIEPHBVFUOEP-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC000112918568 162198219 /nfs/dbraw/zinc/19/82/19/162198219.db2.gz JAGIEPHBVFUOEP-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCCC[NH+](C)CC1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000112918568 162198222 /nfs/dbraw/zinc/19/82/22/162198222.db2.gz JAGIEPHBVFUOEP-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCCC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000112918568 162198225 /nfs/dbraw/zinc/19/82/25/162198225.db2.gz JAGIEPHBVFUOEP-UHFFFAOYSA-N 2 1 345.531 3.089 20 0 EGADMP CCC(CC)[C@H](C[NH2+]C1CCN(c2nc(C)cs2)CC1)[NH+](C)C ZINC000133120606 162451086 /nfs/dbraw/zinc/45/10/86/162451086.db2.gz PTEAHVNIZKCYSV-KRWDZBQOSA-N 2 1 338.565 3.376 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1(C)C ZINC000181740500 162801854 /nfs/dbraw/zinc/80/18/54/162801854.db2.gz OFLCKASBIXIPQD-QZTJIDSGSA-N 2 1 349.519 3.297 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cnn1C ZINC000248419420 163002886 /nfs/dbraw/zinc/00/28/86/163002886.db2.gz VBLQCBHXVSXCTI-GDVKCFTOSA-N 2 1 338.499 3.290 20 0 EGADMP COc1ccccc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248456140 163006735 /nfs/dbraw/zinc/00/67/35/163006735.db2.gz SAPHORNLOOKWMK-QFBILLFUSA-N 2 1 340.467 3.113 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000249116882 163057229 /nfs/dbraw/zinc/05/72/29/163057229.db2.gz SKFMVNCUALOYIL-WTGUMLROSA-N 2 1 326.484 3.056 20 0 EGADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000343994417 164079082 /nfs/dbraw/zinc/07/90/82/164079082.db2.gz SCAFJNVNXIXPOL-ZDUSSCGKSA-N 2 1 335.398 3.151 20 0 EGADMP CN(CCC[N@@H+](C)Cc1cccc(C(F)(F)F)c1)CC[NH+](C)C ZINC000344048974 164091053 /nfs/dbraw/zinc/09/10/53/164091053.db2.gz ZKAIYNOZNYOTPG-UHFFFAOYSA-N 2 1 331.426 3.021 20 0 EGADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000344274416 164143302 /nfs/dbraw/zinc/14/33/02/164143302.db2.gz BJFLLTJFBVWXKV-RLLQIKCJSA-N 2 1 330.516 3.426 20 0 EGADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000344274416 164143304 /nfs/dbraw/zinc/14/33/04/164143304.db2.gz BJFLLTJFBVWXKV-RLLQIKCJSA-N 2 1 330.516 3.426 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000344600953 164197096 /nfs/dbraw/zinc/19/70/96/164197096.db2.gz JCZOOXLMYUZFIE-WMZOPIPTSA-N 2 1 331.504 3.106 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCO[C@H]2CCCC[C@H]2C)C1 ZINC000350157082 165013764 /nfs/dbraw/zinc/01/37/64/165013764.db2.gz RBJAOCJNBKAJGT-QRVBRYPASA-N 2 1 326.525 3.014 20 0 EGADMP C[NH+](C)CC1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000350176882 165016905 /nfs/dbraw/zinc/01/69/05/165016905.db2.gz PEGCKKQJSSXAKC-UHFFFAOYSA-N 2 1 329.257 3.362 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c(Cl)c1 ZINC000350953632 165086107 /nfs/dbraw/zinc/08/61/07/165086107.db2.gz WWGQKDWRZGJXEB-CQSZACIVSA-N 2 1 337.895 3.249 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH+](CCc1ccccc1)Cc1ccccc1)C1CC1 ZINC000351340967 165096958 /nfs/dbraw/zinc/09/69/58/165096958.db2.gz PMKUNLRGEWWYKX-JOCHJYFZSA-N 2 1 338.495 3.186 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH+](CCc1ccccc1)Cc1ccccc1)C1CC1 ZINC000351340967 165096963 /nfs/dbraw/zinc/09/69/63/165096963.db2.gz PMKUNLRGEWWYKX-JOCHJYFZSA-N 2 1 338.495 3.186 20 0 EGADMP C[NH+](C[C@@H](O)C[N@H+](CCc1ccccc1)Cc1ccccc1)C1CC1 ZINC000351340967 165096967 /nfs/dbraw/zinc/09/69/67/165096967.db2.gz PMKUNLRGEWWYKX-JOCHJYFZSA-N 2 1 338.495 3.186 20 0 EGADMP C[NH+](C[C@@H](O)C[N@@H+](CCc1ccccc1)Cc1ccccc1)C1CC1 ZINC000351340967 165096972 /nfs/dbraw/zinc/09/69/72/165096972.db2.gz PMKUNLRGEWWYKX-JOCHJYFZSA-N 2 1 338.495 3.186 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000352051536 165211072 /nfs/dbraw/zinc/21/10/72/165211072.db2.gz CMXXUCNAWMVDPO-IHPCNDPISA-N 2 1 345.531 3.322 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000355196169 166129249 /nfs/dbraw/zinc/12/92/49/166129249.db2.gz DGIZAMHOTQPNAU-AWEZNQCLSA-N 2 1 345.409 3.332 20 0 EGADMP OC[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000355356639 166172692 /nfs/dbraw/zinc/17/26/92/166172692.db2.gz YHQMZKLRTLQKEN-JOCHJYFZSA-N 2 1 347.462 3.442 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2c[nH]c(C(=O)OC)c2)CC1)CC1CC1 ZINC000355899843 166341572 /nfs/dbraw/zinc/34/15/72/166341572.db2.gz IUPSFYDQEHHILL-UHFFFAOYSA-N 2 1 347.503 3.135 20 0 EGADMP Cc1cc(NCC2CC[NH+](Cc3ccccc3Cl)CC2)nc(C)[nH+]1 ZINC000358903786 167000910 /nfs/dbraw/zinc/00/09/10/167000910.db2.gz WMBQPRBPGHQCDW-UHFFFAOYSA-N 2 1 344.890 3.493 20 0 EGADMP CC[C@@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+](C)C ZINC000359176575 167088806 /nfs/dbraw/zinc/08/88/06/167088806.db2.gz OKKZWSKUTMGBEZ-APWZRJJASA-N 2 1 331.504 3.017 20 0 EGADMP COc1ccc(Br)cc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359191956 167092179 /nfs/dbraw/zinc/09/21/79/167092179.db2.gz PIIUINATFJZBRQ-UHFFFAOYSA-N 2 1 341.293 3.279 20 0 EGADMP Cn1cc(C[N@H+](CCC[NH3+])Cc2ccccc2)c(-c2ccccc2)n1 ZINC000359455467 167160903 /nfs/dbraw/zinc/16/09/03/167160903.db2.gz JGKRVXYFTWOBPZ-UHFFFAOYSA-N 2 1 334.467 3.438 20 0 EGADMP Cn1cc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c(-c2ccccc2)n1 ZINC000359455467 167160906 /nfs/dbraw/zinc/16/09/06/167160906.db2.gz JGKRVXYFTWOBPZ-UHFFFAOYSA-N 2 1 334.467 3.438 20 0 EGADMP FC(F)(F)c1cccc(OCCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360554345 167356488 /nfs/dbraw/zinc/35/64/88/167356488.db2.gz VZMLJPCKJVIMPQ-MRXNPFEDSA-N 2 1 328.378 3.160 20 0 EGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@@H]21 ZINC000366214151 168094604 /nfs/dbraw/zinc/09/46/04/168094604.db2.gz NKTFFKRUCPJVQE-KXBFYZLASA-N 2 1 329.419 3.397 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@@H]21 ZINC000366214151 168094608 /nfs/dbraw/zinc/09/46/08/168094608.db2.gz NKTFFKRUCPJVQE-KXBFYZLASA-N 2 1 329.419 3.397 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@@H]21 ZINC000366214151 168094610 /nfs/dbraw/zinc/09/46/10/168094610.db2.gz NKTFFKRUCPJVQE-KXBFYZLASA-N 2 1 329.419 3.397 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@@H]21 ZINC000366214151 168094612 /nfs/dbraw/zinc/09/46/12/168094612.db2.gz NKTFFKRUCPJVQE-KXBFYZLASA-N 2 1 329.419 3.397 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000367017993 168169486 /nfs/dbraw/zinc/16/94/86/168169486.db2.gz ZDCNFRKYZRHBJV-LJQANCHMSA-N 2 1 348.491 3.057 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000367017993 168169487 /nfs/dbraw/zinc/16/94/87/168169487.db2.gz ZDCNFRKYZRHBJV-LJQANCHMSA-N 2 1 348.491 3.057 20 0 EGADMP CCN(C(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000367201697 168192223 /nfs/dbraw/zinc/19/22/23/168192223.db2.gz UVBWXUUEMNYAPT-SFHVURJKSA-N 2 1 343.515 3.236 20 0 EGADMP Cc1cnn(C)c1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367299127 168203443 /nfs/dbraw/zinc/20/34/43/168203443.db2.gz FTGMCSNPTQAGIL-UHFFFAOYSA-N 2 1 338.499 3.217 20 0 EGADMP CO[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000123123318 222219623 /nfs/dbraw/zinc/21/96/23/222219623.db2.gz QSXNYXVEULMPEI-VQTJNVASSA-N 2 1 334.479 3.380 20 0 EGADMP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000123221162 222237819 /nfs/dbraw/zinc/23/78/19/222237819.db2.gz WUSCASLFSLCYSL-AQNXPRMDSA-N 2 1 330.516 3.395 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000123412664 222272885 /nfs/dbraw/zinc/27/28/85/222272885.db2.gz ASHHGWCNZYLPBP-INIZCTEOSA-N 2 1 337.467 3.181 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000123412664 222272888 /nfs/dbraw/zinc/27/28/88/222272888.db2.gz ASHHGWCNZYLPBP-INIZCTEOSA-N 2 1 337.467 3.181 20 0 EGADMP Cc1cc(OCC[N@@H+](C)CCCN2CC[NH+](C)CC2)ccc1C(C)C ZINC000174725686 265067718 /nfs/dbraw/zinc/06/77/18/265067718.db2.gz CUFRLGJBODPFGR-UHFFFAOYSA-N 2 1 347.547 3.067 20 0 EGADMP COc1cccc([C@@H](C)[NH+]2CCN(CC[NH+]3CCC(C)CC3)CC2)c1 ZINC000178014254 265290678 /nfs/dbraw/zinc/29/06/78/265290678.db2.gz NUNVIVHRPKEMBT-LJQANCHMSA-N 2 1 345.531 3.106 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C2(C[NH3+])CCCC2)c1 ZINC000178850009 265345265 /nfs/dbraw/zinc/34/52/65/265345265.db2.gz VVECZNHBIFUPTE-UHFFFAOYSA-N 2 1 345.531 3.444 20 0 EGADMP CC[N@H+](CCCCn1cc[nH+]c1C)C[C@H]1COc2ccccc2O1 ZINC000179039591 265357015 /nfs/dbraw/zinc/35/70/15/265357015.db2.gz BMBCGZXULLQJCJ-KRWDZBQOSA-N 2 1 329.444 3.134 20 0 EGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)C[C@H]1COc2ccccc2O1 ZINC000179039591 265357018 /nfs/dbraw/zinc/35/70/18/265357018.db2.gz BMBCGZXULLQJCJ-KRWDZBQOSA-N 2 1 329.444 3.134 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CCCCc2ccccc2)CC1 ZINC000191452006 265905200 /nfs/dbraw/zinc/90/52/00/265905200.db2.gz DGJWNCQIQYDRRT-UHFFFAOYSA-N 2 1 331.548 3.357 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000268881110 266285129 /nfs/dbraw/zinc/28/51/29/266285129.db2.gz RLUUVCTZGXJJMB-KRWDZBQOSA-N 2 1 348.288 3.491 20 0 EGADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000271554783 266685864 /nfs/dbraw/zinc/68/58/64/266685864.db2.gz VOOJWUSIKKGPDP-ZCNNSNEGSA-N 2 1 344.499 3.176 20 0 EGADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272679694 266896509 /nfs/dbraw/zinc/89/65/09/266896509.db2.gz MSIKTZGLTJFNHN-FFZBTMFNSA-N 2 1 330.516 3.284 20 0 EGADMP CC[N@H+](Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)C1CC1 ZINC000273794391 267110146 /nfs/dbraw/zinc/11/01/46/267110146.db2.gz VHLJIWDCMDJOEF-UHFFFAOYSA-N 2 1 326.444 3.317 20 0 EGADMP CC[N@@H+](Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)C1CC1 ZINC000273794391 267110149 /nfs/dbraw/zinc/11/01/49/267110149.db2.gz VHLJIWDCMDJOEF-UHFFFAOYSA-N 2 1 326.444 3.317 20 0 EGADMP CCOCCC[N@H+]1CC[C@H](NCc2cc(F)ccc2OC)[C@@H](C)C1 ZINC000275279582 267340500 /nfs/dbraw/zinc/34/05/00/267340500.db2.gz DMPNIKAIXOTKDK-YJBOKZPZSA-N 2 1 338.467 3.061 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000110822676 275181649 /nfs/dbraw/zinc/18/16/49/275181649.db2.gz SMZDRZJDVFCHOO-CXAGYDPISA-N 2 1 337.305 3.238 20 0 EGADMP COC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[C@@H]1CCCO1 ZINC000278647381 275262155 /nfs/dbraw/zinc/26/21/55/275262155.db2.gz DSAQZHPJVNQMND-CCKFTAQKSA-N 2 1 329.444 3.025 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3cc(F)ccc32)CCCO1 ZINC000278687951 275265793 /nfs/dbraw/zinc/26/57/93/275265793.db2.gz UQWQBACVBSNTKN-CRAIPNDOSA-N 2 1 336.451 3.130 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCOc3cc(F)ccc32)CCCO1 ZINC000278687951 275265794 /nfs/dbraw/zinc/26/57/94/275265794.db2.gz UQWQBACVBSNTKN-CRAIPNDOSA-N 2 1 336.451 3.130 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[NH2+][C@@H]1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000342693737 276063423 /nfs/dbraw/zinc/06/34/23/276063423.db2.gz MVNGMTLIGJDDKC-IZBJGVDFSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287243665 276100207 /nfs/dbraw/zinc/10/02/07/276100207.db2.gz YYNFKTXHDKNCON-BVYCBKJFSA-N 2 1 338.495 3.090 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000287318990 276107676 /nfs/dbraw/zinc/10/76/76/276107676.db2.gz DHBDAMRPRGZFBX-HZPDHXFCSA-N 2 1 330.394 3.338 20 0 EGADMP C[N@@H+](CCC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000287631239 276142091 /nfs/dbraw/zinc/14/20/91/276142091.db2.gz KJFGSZVRIPDVSI-CVEARBPZSA-N 2 1 330.394 3.208 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC34CCC4)cc2)CC1 ZINC000337382718 276196960 /nfs/dbraw/zinc/19/69/60/276196960.db2.gz FLSOIWOAOIDQIW-HXUWFJFHSA-N 2 1 327.516 3.246 20 0 EGADMP COc1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc(OC)c1O ZINC000289319465 276321235 /nfs/dbraw/zinc/32/12/35/276321235.db2.gz SXCDGEJFMBSAQT-OAHLLOKOSA-N 2 1 336.476 3.011 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000303240877 276337822 /nfs/dbraw/zinc/33/78/22/276337822.db2.gz JOGBCOHQMNIEQH-QUCCMNQESA-N 2 1 345.531 3.450 20 0 EGADMP COC(=O)C1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000192444320 277312302 /nfs/dbraw/zinc/31/23/02/277312302.db2.gz FSPOWDHMLWGCHB-ACAXCVFMSA-N 2 1 344.499 3.361 20 0 EGADMP COC(=O)C1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000192444320 277312303 /nfs/dbraw/zinc/31/23/03/277312303.db2.gz FSPOWDHMLWGCHB-ACAXCVFMSA-N 2 1 344.499 3.361 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000353341830 277514428 /nfs/dbraw/zinc/51/44/28/277514428.db2.gz UVARAUGTBOEUTA-LJQANCHMSA-N 2 1 332.488 3.118 20 0 EGADMP COc1cccc2c(N3CC[C@@]4(C3)CCC[N@H+](C)C4)cc(C)[nH+]c12 ZINC000338744092 278024316 /nfs/dbraw/zinc/02/43/16/278024316.db2.gz KFGBTNWHOYELBV-FQEVSTJZSA-N 2 1 325.456 3.474 20 0 EGADMP COc1cccc2c(N3CC[C@@]4(C3)CCC[N@@H+](C)C4)cc(C)[nH+]c12 ZINC000338744092 278024317 /nfs/dbraw/zinc/02/43/17/278024317.db2.gz KFGBTNWHOYELBV-FQEVSTJZSA-N 2 1 325.456 3.474 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC000354389066 279146938 /nfs/dbraw/zinc/14/69/38/279146938.db2.gz WBZGKSXMSPTZOG-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)cc1)C(C)C ZINC000343827840 279235679 /nfs/dbraw/zinc/23/56/79/279235679.db2.gz LUGQAXVFXFOAPC-UZLBHIALSA-N 2 1 343.515 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1)C(C)C ZINC000343827840 279235681 /nfs/dbraw/zinc/23/56/81/279235681.db2.gz LUGQAXVFXFOAPC-UZLBHIALSA-N 2 1 343.515 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1)C(C)C ZINC000343827840 279235683 /nfs/dbraw/zinc/23/56/83/279235683.db2.gz LUGQAXVFXFOAPC-UZLBHIALSA-N 2 1 343.515 3.129 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000354266105 279266798 /nfs/dbraw/zinc/26/67/98/279266798.db2.gz MPNIIGATFJBCLP-WOJBJXKFSA-N 2 1 343.515 3.123 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@H+](CCC[NH3+])CC2CCCC2)c(C)c1 ZINC000352494294 280391241 /nfs/dbraw/zinc/39/12/41/280391241.db2.gz ADVJLQCPOGRLCV-UHFFFAOYSA-N 2 1 331.504 3.391 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)c(C)c1 ZINC000352494294 280391243 /nfs/dbraw/zinc/39/12/43/280391243.db2.gz ADVJLQCPOGRLCV-UHFFFAOYSA-N 2 1 331.504 3.391 20 0 EGADMP C[C@@H]1C[N@H+]([C@H]2CCCc3ccc(F)cc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374323692 288252765 /nfs/dbraw/zinc/25/27/65/288252765.db2.gz JCEYVCMOPFORHG-CZAAIQMYSA-N 2 1 345.506 3.161 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@@H]21 ZINC000367625240 290216316 /nfs/dbraw/zinc/21/63/16/290216316.db2.gz XLHCVMUNXABDJB-BZSNNMDCSA-N 2 1 349.519 3.016 20 0 EGADMP C[C@H](C[NH2+]Cc1ccc(F)c(Br)c1)C[NH+]1CCCC1 ZINC000057994172 307347581 /nfs/dbraw/zinc/34/75/81/307347581.db2.gz DGMBCICRORAYKX-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000414168693 309064464 /nfs/dbraw/zinc/06/44/64/309064464.db2.gz APYRVIAVZWZXCB-HOTGVXAUSA-N 2 1 348.487 3.464 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248547220 308005030 /nfs/dbraw/zinc/00/50/30/308005030.db2.gz GAYHQLPOQVPIQG-DZFGPLHGSA-N 3 1 329.532 3.217 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248547220 308005031 /nfs/dbraw/zinc/00/50/31/308005031.db2.gz GAYHQLPOQVPIQG-DZFGPLHGSA-N 3 1 329.532 3.217 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C2CC2)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000248547220 308005034 /nfs/dbraw/zinc/00/50/34/308005034.db2.gz GAYHQLPOQVPIQG-DZFGPLHGSA-N 2 1 329.532 3.217 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C2CC2)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000248547220 308005036 /nfs/dbraw/zinc/00/50/36/308005036.db2.gz GAYHQLPOQVPIQG-DZFGPLHGSA-N 2 1 329.532 3.217 20 0 EGADMP C[C@H](C1CC1)N(C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1CC1 ZINC000248547839 308005343 /nfs/dbraw/zinc/00/53/43/308005343.db2.gz FHWPUVQOXOIPLT-JZXOWHBKSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H](C1CC1)N(C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CC1 ZINC000248547839 308005344 /nfs/dbraw/zinc/00/53/44/308005344.db2.gz FHWPUVQOXOIPLT-JZXOWHBKSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248600571 308006671 /nfs/dbraw/zinc/00/66/71/308006671.db2.gz UYQSOCBRYBRFAF-DSKINZAPSA-N 2 1 330.516 3.223 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC[N@@H+]1C ZINC000248828438 308012391 /nfs/dbraw/zinc/01/23/91/308012391.db2.gz GVBZLYKBJNIGHC-HYVNUMGLSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC[N@H+]1C ZINC000248828438 308012393 /nfs/dbraw/zinc/01/23/93/308012393.db2.gz GVBZLYKBJNIGHC-HYVNUMGLSA-N 2 1 339.524 3.142 20 0 EGADMP FC(F)COCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248889656 308014422 /nfs/dbraw/zinc/01/44/22/308014422.db2.gz AQCAAVUVAKLEGV-OKZBNKHCSA-N 2 1 338.442 3.158 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000262663538 308065016 /nfs/dbraw/zinc/06/50/16/308065016.db2.gz HTDAKOWFQZINSI-KSZLIROESA-N 2 1 337.552 3.029 20 0 EGADMP CCn1nccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293933398 308175484 /nfs/dbraw/zinc/17/54/84/308175484.db2.gz NQRAMGJRFUHKKC-UHFFFAOYSA-N 2 1 338.499 3.391 20 0 EGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000294063656 308187070 /nfs/dbraw/zinc/18/70/70/308187070.db2.gz HIRYZBGTKXGIEB-VQIMIIECSA-N 2 1 348.487 3.015 20 0 EGADMP CS[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000295049983 308285496 /nfs/dbraw/zinc/28/54/96/308285496.db2.gz NJIIHQOMWDIHGC-SFHVURJKSA-N 2 1 333.545 3.154 20 0 EGADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000295200979 308302331 /nfs/dbraw/zinc/30/23/31/308302331.db2.gz PBINUYAAMGJKIS-BJLQDIEVSA-N 2 1 343.515 3.108 20 0 EGADMP C[N@H+](Cc1cnn(CC(F)F)c1)C1CCN(Cc2ccccc2)CC1 ZINC000295282903 308310669 /nfs/dbraw/zinc/31/06/69/308310669.db2.gz IORIMDQMCJXHFP-UHFFFAOYSA-N 2 1 348.441 3.245 20 0 EGADMP C[N@@H+](Cc1cnn(CC(F)F)c1)C1CCN(Cc2ccccc2)CC1 ZINC000295282903 308310670 /nfs/dbraw/zinc/31/06/70/308310670.db2.gz IORIMDQMCJXHFP-UHFFFAOYSA-N 2 1 348.441 3.245 20 0 EGADMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)c(SC)cc1OC ZINC000414715974 309097022 /nfs/dbraw/zinc/09/70/22/309097022.db2.gz WJJJDCUYAUDFBR-KGLIPLIRSA-N 2 1 338.517 3.246 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](CC1CCC1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414718496 309097186 /nfs/dbraw/zinc/09/71/86/309097186.db2.gz ZECHAWQJWIRZHV-PKOBYXMFSA-N 2 1 343.515 3.047 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000414663892 309094336 /nfs/dbraw/zinc/09/43/36/309094336.db2.gz SETZRIDWELOGLH-UHFFFAOYSA-N 2 1 336.430 3.184 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000414663892 309094337 /nfs/dbraw/zinc/09/43/37/309094337.db2.gz SETZRIDWELOGLH-UHFFFAOYSA-N 2 1 336.430 3.184 20 0 EGADMP C[C@H]1C[C@H](C[N@H+]2CCCN(CCCc3ccccc3)CC2)CC[NH2+]1 ZINC000414673107 309094878 /nfs/dbraw/zinc/09/48/78/309094878.db2.gz QGJDEVORNRXPCH-PZJWPPBQSA-N 2 1 329.532 3.015 20 0 EGADMP C[C@H](c1ccccc1Cl)[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414675268 309094977 /nfs/dbraw/zinc/09/49/77/309094977.db2.gz LUPIUXZDRIVIRO-CABCVRRESA-N 2 1 349.906 3.063 20 0 EGADMP CCCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000414677542 309095038 /nfs/dbraw/zinc/09/50/38/309095038.db2.gz WPCCCTBJHJNEAW-RCCFBDPRSA-N 2 1 332.488 3.433 20 0 EGADMP C[C@H]1C[C@H](C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000414695573 309095792 /nfs/dbraw/zinc/09/57/92/309095792.db2.gz PCZSSELIUOBRPX-GHTZIAJQSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]([N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)C ZINC000414736352 309098009 /nfs/dbraw/zinc/09/80/09/309098009.db2.gz GOHSJJMNYPAYFP-MJGOQNOKSA-N 2 1 345.531 3.121 20 0 EGADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772006 309100015 /nfs/dbraw/zinc/10/00/15/309100015.db2.gz BBMCACYQOBHPCD-UONOGXRCSA-N 2 1 332.879 3.048 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](CCCOc2ccccc2)C2CCOCC2)CC[NH2+]1 ZINC000414754581 309098947 /nfs/dbraw/zinc/09/89/47/309098947.db2.gz GHTNLNKLZCBIGM-RTBURBONSA-N 2 1 346.515 3.325 20 0 EGADMP FC(F)(F)COc1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414771762 309100060 /nfs/dbraw/zinc/10/00/60/309100060.db2.gz RNXXTIBDFZYRHN-OKILXGFUSA-N 2 1 328.378 3.059 20 0 EGADMP COc1cc(C[NH2+][C@H](C[NH3+])CC(C)C)ccc1OCc1ccncc1 ZINC000414832905 309104388 /nfs/dbraw/zinc/10/43/88/309104388.db2.gz FEZLMVPNYGXUNM-SFHVURJKSA-N 2 1 343.471 3.132 20 0 EGADMP CCOc1cc(C[NH2+]CC2([NH3+])CCCCC2)cc(Cl)c1OC ZINC000414836137 309104625 /nfs/dbraw/zinc/10/46/25/309104625.db2.gz FKKAGQJQPPHVNB-UHFFFAOYSA-N 2 1 326.868 3.499 20 0 EGADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000339139603 308878787 /nfs/dbraw/zinc/87/87/87/308878787.db2.gz GKFYIJULYSBBQB-HOTGVXAUSA-N 2 1 349.482 3.470 20 0 EGADMP C[C@@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C)[C@@H]1CCC[NH2+]C1 ZINC000414862956 309106205 /nfs/dbraw/zinc/10/62/05/309106205.db2.gz XSUWANKPOUMXQW-VXGBXAGGSA-N 2 1 340.393 3.070 20 0 EGADMP CCCOc1c(Cl)cc(C[NH2+]CC2([NH3+])CCC2)cc1OCC ZINC000414879533 309106976 /nfs/dbraw/zinc/10/69/76/309106976.db2.gz PSYHHUQCRMNAPL-UHFFFAOYSA-N 2 1 326.868 3.499 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1OCc1ccccc1 ZINC000414889339 309107412 /nfs/dbraw/zinc/10/74/12/309107412.db2.gz LLAZRPFLJMTYHP-GOSISDBHSA-N 2 1 326.440 3.101 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414928386 309109660 /nfs/dbraw/zinc/10/96/60/309109660.db2.gz BAAOKSYUUXXPGB-MLGOLLRUSA-N 2 1 332.879 3.373 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414956322 309111199 /nfs/dbraw/zinc/11/11/99/309111199.db2.gz VFXYJDGJAHHGLY-ACJLOTCBSA-N 2 1 346.906 3.432 20 0 EGADMP CC[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CCO1 ZINC000414967488 309112148 /nfs/dbraw/zinc/11/21/48/309112148.db2.gz XJFFNAKSBSGBMO-NVQRDWNXSA-N 2 1 338.442 3.205 20 0 EGADMP CC[C@@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000414979804 309112647 /nfs/dbraw/zinc/11/26/47/309112647.db2.gz OOOHCNIUAPNCPD-OAHLLOKOSA-N 2 1 326.469 3.428 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1OC(C)C ZINC000415038649 309115971 /nfs/dbraw/zinc/11/59/71/309115971.db2.gz IDQAOSHOBCWFFO-MSOLQXFVSA-N 2 1 332.488 3.446 20 0 EGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)C1CCCC1 ZINC000415062207 309117776 /nfs/dbraw/zinc/11/77/76/309117776.db2.gz DVIGYPWUPUPQLV-AWEZNQCLSA-N 2 1 334.357 3.374 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CCC[NH2+]C1CC1 ZINC000415063546 309117782 /nfs/dbraw/zinc/11/77/82/309117782.db2.gz ADAGYDLQRJUOOX-UHFFFAOYSA-N 2 1 326.488 3.088 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415065646 309117918 /nfs/dbraw/zinc/11/79/18/309117918.db2.gz GYSFFACPMWBTFX-UHFFFAOYSA-N 2 1 326.488 3.402 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000415076972 309118639 /nfs/dbraw/zinc/11/86/39/309118639.db2.gz DEEVGWSAZUPUDI-HLLBOEOZSA-N 2 1 349.906 3.346 20 0 EGADMP OC[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415083556 309119042 /nfs/dbraw/zinc/11/90/42/309119042.db2.gz PULYBOVJKZWBKR-XQBPLPMBSA-N 2 1 349.478 3.154 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)CC[NH2+]1 ZINC000415094550 309119947 /nfs/dbraw/zinc/11/99/47/309119947.db2.gz KIAADGJTJNSRFO-XJKCOSOUSA-N 2 1 338.293 3.369 20 0 EGADMP [NH3+]C1(CNCc2sccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000415124532 309122079 /nfs/dbraw/zinc/12/20/79/309122079.db2.gz CNKGBSNHZHQNOI-UHFFFAOYSA-N 2 1 349.931 3.485 20 0 EGADMP [NH3+]C1(CNCc2ccc(F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415126994 309122322 /nfs/dbraw/zinc/12/23/22/309122322.db2.gz HNPTXPCMYGYGFL-UHFFFAOYSA-N 2 1 345.437 3.048 20 0 EGADMP C[N@@H+](CCCC[NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)C1CC1 ZINC000419295590 309263656 /nfs/dbraw/zinc/26/36/56/309263656.db2.gz CUZMRRVMDVLXCT-FQEVSTJZSA-N 2 1 343.515 3.204 20 0 EGADMP CC[NH2+]CC1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000420287603 309279469 /nfs/dbraw/zinc/27/94/69/309279469.db2.gz IGESSCOVBBHLHR-UHFFFAOYSA-N 2 1 330.501 3.130 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)CCC2)c1 ZINC000420292905 309279626 /nfs/dbraw/zinc/27/96/26/309279626.db2.gz QHKLCKNUBOPHTJ-HKUYNNGSSA-N 2 1 346.515 3.441 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000420296840 309279836 /nfs/dbraw/zinc/27/98/36/309279836.db2.gz CCWOXQOALXTUGD-ZCNNSNEGSA-N 2 1 344.886 3.408 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000420296840 309279837 /nfs/dbraw/zinc/27/98/37/309279837.db2.gz CCWOXQOALXTUGD-ZCNNSNEGSA-N 2 1 344.886 3.408 20 0 EGADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC1(c2ccc(Br)cc2)CC1 ZINC000420301577 309280503 /nfs/dbraw/zinc/28/05/03/309280503.db2.gz LMLHYXXDQSBTAT-AWEZNQCLSA-N 2 1 337.305 3.412 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cncc(OCc4ccccc4)c3)C[C@H]21 ZINC000420317628 309281664 /nfs/dbraw/zinc/28/16/64/309281664.db2.gz ZRARFGUKRJHVSR-HMXCVIKNSA-N 2 1 337.467 3.220 20 0 EGADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000420325025 309282387 /nfs/dbraw/zinc/28/23/87/309282387.db2.gz VXQNFGLFPOKESW-LBPRGKRZSA-N 2 1 344.286 3.253 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](C2c3ccccc3-c3ccccc32)CC12CCOCC2 ZINC000420323671 309282396 /nfs/dbraw/zinc/28/23/96/309282396.db2.gz GQBRUOQPMJVZJT-INIZCTEOSA-N 2 1 334.463 3.444 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CCOc2cccc(C)c2)cc1 ZINC000420325108 309282460 /nfs/dbraw/zinc/28/24/60/309282460.db2.gz WHPYMRZUGWFALR-GOSISDBHSA-N 2 1 328.456 3.057 20 0 EGADMP c1ccc(COc2cncc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)c2)cc1 ZINC000420329143 309282590 /nfs/dbraw/zinc/28/25/90/309282590.db2.gz GKFFTPBNHKSZTH-BGYRXZFFSA-N 2 1 337.467 3.092 20 0 EGADMP Fc1cc(Br)cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420329798 309282684 /nfs/dbraw/zinc/28/26/84/309282684.db2.gz OZEXTNAGLONHSI-ZIAGYGMSSA-N 2 1 341.268 3.410 20 0 EGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420333144 309282768 /nfs/dbraw/zinc/28/27/68/309282768.db2.gz SLRAPOJYYUOGAM-ZFWWWQNUSA-N 2 1 340.414 3.036 20 0 EGADMP FC(F)Oc1cccc([C@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)c1 ZINC000420376294 309285123 /nfs/dbraw/zinc/28/51/23/309285123.db2.gz QHDCZBUKTMYZRJ-WMLDXEAASA-N 2 1 340.414 3.051 20 0 EGADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420376455 309285140 /nfs/dbraw/zinc/28/51/40/309285140.db2.gz JWAQIIGRCVHLQQ-QRWLVFNGSA-N 2 1 335.455 3.288 20 0 EGADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000420397364 309286308 /nfs/dbraw/zinc/28/63/08/309286308.db2.gz FZSOBAATQZGLIL-DOTOQJQBSA-N 2 1 325.456 3.085 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420404163 309286789 /nfs/dbraw/zinc/28/67/89/309286789.db2.gz LSVKWFOTQVNXLI-KBPBESRZSA-N 2 1 330.428 3.026 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420404163 309286790 /nfs/dbraw/zinc/28/67/90/309286790.db2.gz LSVKWFOTQVNXLI-KBPBESRZSA-N 2 1 330.428 3.026 20 0 EGADMP Cc1cc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)cc(C)n1 ZINC000420812954 309296158 /nfs/dbraw/zinc/29/61/58/309296158.db2.gz GSDNNICWPNLSHW-SFHVURJKSA-N 2 1 332.492 3.008 20 0 EGADMP COCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCC[C@H]1C ZINC000420927487 309301594 /nfs/dbraw/zinc/30/15/94/309301594.db2.gz ZNNVKEYRWAZTQH-WIYYLYMNSA-N 2 1 346.515 3.156 20 0 EGADMP COCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCC[C@H]1C ZINC000420927487 309301595 /nfs/dbraw/zinc/30/15/95/309301595.db2.gz ZNNVKEYRWAZTQH-WIYYLYMNSA-N 2 1 346.515 3.156 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421003603 309306893 /nfs/dbraw/zinc/30/68/93/309306893.db2.gz FISZQWWYLFUEPP-WBVHZDCISA-N 2 1 335.492 3.271 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421003603 309306894 /nfs/dbraw/zinc/30/68/94/309306894.db2.gz FISZQWWYLFUEPP-WBVHZDCISA-N 2 1 335.492 3.271 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000421340261 309319029 /nfs/dbraw/zinc/31/90/29/309319029.db2.gz IARNQRSCTQPDSK-JOCHJYFZSA-N 2 1 336.479 3.420 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CCC[NH+]2C)cc1 ZINC000421702079 309335406 /nfs/dbraw/zinc/33/54/06/309335406.db2.gz JHCYAIOSWJOFAN-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1 ZINC000421702079 309335407 /nfs/dbraw/zinc/33/54/07/309335407.db2.gz JHCYAIOSWJOFAN-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1 ZINC000421702079 309335408 /nfs/dbraw/zinc/33/54/08/309335408.db2.gz JHCYAIOSWJOFAN-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP COC1([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCCC1 ZINC000421826139 309341808 /nfs/dbraw/zinc/34/18/08/309341808.db2.gz RCKNLXLFKCUESK-ICSRJNTNSA-N 2 1 330.516 3.488 20 0 EGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000421838807 309342651 /nfs/dbraw/zinc/34/26/51/309342651.db2.gz VQQDEKIVXGXNHM-WMLDXEAASA-N 2 1 342.886 3.237 20 0 EGADMP COc1ccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c(OC)c1OC ZINC000422694698 309363415 /nfs/dbraw/zinc/36/34/15/309363415.db2.gz OHPUPBLZRGXDJX-GDBMZVCRSA-N 2 1 336.476 3.113 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1OC ZINC000422699856 309363614 /nfs/dbraw/zinc/36/36/14/309363614.db2.gz BKKIDMSUMHVAPC-CABCVRRESA-N 2 1 326.868 3.497 20 0 EGADMP CCC[NH+](CCC)CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422716873 309364717 /nfs/dbraw/zinc/36/47/17/309364717.db2.gz UUETZVJUZSSDHK-TZIWHRDSSA-N 3 1 345.531 3.344 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(COCC(F)(F)F)cc1)c1c[nH+]ccc1N ZINC000422825501 309370573 /nfs/dbraw/zinc/37/05/73/309370573.db2.gz PUTSGSOZNPVJKN-GFCCVEGCSA-N 2 1 339.361 3.424 20 0 EGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422832760 309370912 /nfs/dbraw/zinc/37/09/12/309370912.db2.gz FYBLMLSKEPWGLR-BTHPGYMESA-N 3 1 347.572 3.470 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422832760 309370913 /nfs/dbraw/zinc/37/09/13/309370913.db2.gz FYBLMLSKEPWGLR-BTHPGYMESA-N 3 1 347.572 3.470 20 0 EGADMP c1csc(C[N@H+]2CCC[C@H](CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422832760 309370914 /nfs/dbraw/zinc/37/09/14/309370914.db2.gz FYBLMLSKEPWGLR-BTHPGYMESA-N 2 1 347.572 3.470 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@H](CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422832760 309370915 /nfs/dbraw/zinc/37/09/15/309370915.db2.gz FYBLMLSKEPWGLR-BTHPGYMESA-N 2 1 347.572 3.470 20 0 EGADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H](C)[C@H]3CCCC[NH2+]3)cc2)n1 ZINC000422863608 309372636 /nfs/dbraw/zinc/37/26/36/309372636.db2.gz PCQGEUMPTUALED-YLJYHZDGSA-N 2 1 326.488 3.152 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(OC(C)C)c1 ZINC000422871147 309373049 /nfs/dbraw/zinc/37/30/49/309373049.db2.gz CNQOTWYTMLVGSO-IPMKNSEASA-N 2 1 332.488 3.029 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422891539 309374658 /nfs/dbraw/zinc/37/46/58/309374658.db2.gz VSTAONUSBUUQDY-UFPRQQMNSA-N 3 1 327.516 3.016 20 0 EGADMP CC[C@H]([NH2+]CCc1nc2ccccc2n1C(F)F)[C@@H]1CCCC[NH2+]1 ZINC000422914724 309376041 /nfs/dbraw/zinc/37/60/41/309376041.db2.gz VSDNSIIVKNHAKB-KBPBESRZSA-N 2 1 336.430 3.484 20 0 EGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000422982150 309379416 /nfs/dbraw/zinc/37/94/16/309379416.db2.gz VSEPITJLUPZZEJ-FUHWJXTLSA-N 2 1 347.503 3.040 20 0 EGADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000422990120 309379774 /nfs/dbraw/zinc/37/97/74/309379774.db2.gz BQCYPPOWHLUXNS-UWJYYQICSA-N 3 1 341.499 3.389 20 0 EGADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1CN(C)Cc1ccco1 ZINC000422990120 309379775 /nfs/dbraw/zinc/37/97/75/309379775.db2.gz BQCYPPOWHLUXNS-UWJYYQICSA-N 2 1 341.499 3.389 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000423005141 309380545 /nfs/dbraw/zinc/38/05/45/309380545.db2.gz QVUSBUYDQUDINW-CTLHLVSWSA-N 3 1 327.516 3.160 20 0 EGADMP Clc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000423021869 309381296 /nfs/dbraw/zinc/38/12/96/309381296.db2.gz GJXPPYNBJHALQV-OLMNPRSZSA-N 2 1 334.891 3.118 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CC[NH2+]2)cc1 ZINC000423030015 309381746 /nfs/dbraw/zinc/38/17/46/309381746.db2.gz SOAXOICXJNIXIF-OUUBHVDSSA-N 2 1 326.484 3.417 20 0 EGADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423053514 309383129 /nfs/dbraw/zinc/38/31/29/309383129.db2.gz SRDQSKIOBNIRGP-FVQBIDKESA-N 2 1 329.410 3.025 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423083391 309385051 /nfs/dbraw/zinc/38/50/51/309385051.db2.gz FZCVSNZKWLUROY-VLCRHTCISA-N 2 1 337.511 3.057 20 0 EGADMP Fc1cc(-c2ccco2)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423087406 309385427 /nfs/dbraw/zinc/38/54/27/309385427.db2.gz POQPDMMBISMTAU-BHIYHBOVSA-N 2 1 344.430 3.332 20 0 EGADMP C[C@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423094743 309385671 /nfs/dbraw/zinc/38/56/71/309385671.db2.gz KRLCJVGPPIERSL-BBRMVZONSA-N 2 1 330.394 3.290 20 0 EGADMP Clc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)c1 ZINC000423101565 309385941 /nfs/dbraw/zinc/38/59/41/309385941.db2.gz WACCCCRLDZUHLS-WSIUPNEHSA-N 2 1 334.891 3.333 20 0 EGADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000423107748 309386276 /nfs/dbraw/zinc/38/62/76/309386276.db2.gz QFRQSNSFLUPBEM-QFBILLFUSA-N 2 1 325.456 3.138 20 0 EGADMP Clc1ccc2c(ccn2CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000423108677 309386364 /nfs/dbraw/zinc/38/63/64/309386364.db2.gz RMYXVXZLAASNEY-RCCFBDPRSA-N 2 1 347.890 3.041 20 0 EGADMP Cc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc(N2CCCC2)n1 ZINC000423121927 309387106 /nfs/dbraw/zinc/38/71/06/309387106.db2.gz JWELRGXGVPKZBK-XLIONFOSSA-N 2 1 338.499 3.038 20 0 EGADMP C[C@@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423142736 309388082 /nfs/dbraw/zinc/38/80/82/309388082.db2.gz VRLYTEUUSZSCPS-NRSPTQNISA-N 2 1 329.532 3.409 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423158938 309388734 /nfs/dbraw/zinc/38/87/34/309388734.db2.gz XLLOJJYFMVTQRZ-SCLBCKFNSA-N 2 1 336.838 3.406 20 0 EGADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423165803 309389023 /nfs/dbraw/zinc/38/90/23/309389023.db2.gz UXTREMUXAIQMDG-DFQSSKMNSA-N 2 1 344.524 3.461 20 0 EGADMP COc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc(OC)c1OC ZINC000423258811 309392888 /nfs/dbraw/zinc/39/28/88/309392888.db2.gz CMIOFSOZEHFERX-CZUORRHYSA-N 2 1 336.476 3.271 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])nnn1-c1cccc(Cl)c1 ZINC000423267361 309393168 /nfs/dbraw/zinc/39/31/68/309393168.db2.gz FKOAQQIKNBDFPK-QEORTHHSSA-N 2 1 347.894 3.397 20 0 EGADMP C[C@H](N[C@@H](C[NH3+])C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423268555 309393225 /nfs/dbraw/zinc/39/32/25/309393225.db2.gz UUBIGEZXTBPFDF-YYWHXJBOSA-N 2 1 329.532 3.394 20 0 EGADMP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ncc(Br)cc1F ZINC000423284618 309393940 /nfs/dbraw/zinc/39/39/40/309393940.db2.gz XDFLEVCRTJNRNH-CWSCBRNRSA-N 2 1 330.245 3.151 20 0 EGADMP CCC([NH3+])(CC)C[NH2+][C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000423295707 309394340 /nfs/dbraw/zinc/39/43/40/309394340.db2.gz XHZDPVRKPHDBCV-LJQANCHMSA-N 2 1 327.472 3.481 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000423332859 309395538 /nfs/dbraw/zinc/39/55/38/309395538.db2.gz HITSAQPDRLGGAO-XVAXZDLZSA-N 3 1 329.532 3.409 20 0 EGADMP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@@H](C)[NH3+] ZINC000423337649 309395977 /nfs/dbraw/zinc/39/59/77/309395977.db2.gz RGEJMFWKIXUPRX-MBOZVWFJSA-N 2 1 345.531 3.154 20 0 EGADMP CC(C)[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H](C)[NH3+] ZINC000423345167 309396409 /nfs/dbraw/zinc/39/64/09/309396409.db2.gz XMMKHMOBGAMRJW-MDZRGWNJSA-N 2 1 331.504 3.476 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(N)ccc32)[C@@H](C)C1 ZINC000423353333 309396496 /nfs/dbraw/zinc/39/64/96/309396496.db2.gz LSUNSBRZZDHBLA-ORYQWCPZSA-N 2 1 345.531 3.373 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)nnn1-c1ccc(Cl)cc1 ZINC000423396790 309398647 /nfs/dbraw/zinc/39/86/47/309398647.db2.gz SONDZLXFSLMZSG-CQDKDKBSSA-N 2 1 333.867 3.150 20 0 EGADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423402627 309398813 /nfs/dbraw/zinc/39/88/13/309398813.db2.gz RLOOBCBDDPWWKP-IUCAKERBSA-N 2 1 337.773 3.013 20 0 EGADMP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2[C@H]4C[NH2+]C[C@H]42)CCC3)cc1 ZINC000423422694 309399747 /nfs/dbraw/zinc/39/97/47/309399747.db2.gz DFZDHBLRECVCQA-DLTWYDFYSA-N 2 1 325.481 3.303 20 0 EGADMP COC[C@]1(C[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)CCC[NH2+]1 ZINC000423429149 309400091 /nfs/dbraw/zinc/40/00/91/309400091.db2.gz OWYLBPMNWVNXMW-SUNYJGFJSA-N 2 1 333.501 3.147 20 0 EGADMP FC(F)(F)c1cccc([C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CC2)c1 ZINC000423489335 309402723 /nfs/dbraw/zinc/40/27/23/309402723.db2.gz FZKOHAXYRHWBSO-HZPDHXFCSA-N 2 1 328.378 3.125 20 0 EGADMP Fc1ccc(Br)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430925656 309621249 /nfs/dbraw/zinc/62/12/49/309621249.db2.gz LQALCYLTQXJILW-UHFFFAOYSA-N 2 1 327.241 3.164 20 0 EGADMP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)Nc1cccc(F)c1 ZINC000443587124 309904186 /nfs/dbraw/zinc/90/41/86/309904186.db2.gz CLJUIXMLECZSLN-UHFFFAOYSA-N 2 1 347.478 3.352 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000448552419 310006019 /nfs/dbraw/zinc/00/60/19/310006019.db2.gz XFUQZPNWMMVWAR-LJQANCHMSA-N 2 1 340.515 3.426 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000448552419 310006020 /nfs/dbraw/zinc/00/60/20/310006020.db2.gz XFUQZPNWMMVWAR-LJQANCHMSA-N 2 1 340.515 3.426 20 0 EGADMP CC(C)COc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000449194622 310043634 /nfs/dbraw/zinc/04/36/34/310043634.db2.gz UXNVQVFZIIJYDG-VQTJNVASSA-N 2 1 346.515 3.189 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCCC3CCOCC3)sc2C1 ZINC000449354406 310056081 /nfs/dbraw/zinc/05/60/81/310056081.db2.gz NFOAGLPVVWEALY-UHFFFAOYSA-N 2 1 337.533 3.206 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CCCC3CCOCC3)sc2C1 ZINC000449354406 310056082 /nfs/dbraw/zinc/05/60/82/310056082.db2.gz NFOAGLPVVWEALY-UHFFFAOYSA-N 2 1 337.533 3.206 20 0 EGADMP C[C@H]([NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449515180 310068627 /nfs/dbraw/zinc/06/86/27/310068627.db2.gz ZPQBMAUJPJXAAT-IRNNPGBSSA-N 2 1 342.527 3.284 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449784165 310087007 /nfs/dbraw/zinc/08/70/07/310087007.db2.gz VPTFPXJKMAZOKS-INIZCTEOSA-N 2 1 331.504 3.430 20 0 EGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449784165 310087008 /nfs/dbraw/zinc/08/70/08/310087008.db2.gz VPTFPXJKMAZOKS-INIZCTEOSA-N 2 1 331.504 3.430 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000449816596 310088964 /nfs/dbraw/zinc/08/89/64/310088964.db2.gz YMOGCOCVOAXEMR-PKOBYXMFSA-N 2 1 337.552 3.410 20 0 EGADMP C[C@H]1C[N@@H+](CC23CC4CC(CC(C4)C2)C3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000450638216 310134368 /nfs/dbraw/zinc/13/43/68/310134368.db2.gz BLOMKOQHCHSJCH-HKPPCEJWSA-N 2 1 345.575 3.161 20 0 EGADMP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453137752 310260311 /nfs/dbraw/zinc/26/03/11/310260311.db2.gz CUYXEFXRFAVPSS-DQDQTZLSSA-N 2 1 348.556 3.176 20 0 EGADMP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453137752 310260312 /nfs/dbraw/zinc/26/03/12/310260312.db2.gz CUYXEFXRFAVPSS-DQDQTZLSSA-N 2 1 348.556 3.176 20 0 EGADMP OCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCC1 ZINC000453187808 310263110 /nfs/dbraw/zinc/26/31/10/310263110.db2.gz AOBFWUQSWQICDC-ZCNNSNEGSA-N 2 1 328.500 3.182 20 0 EGADMP Cn1ccnc1[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000453194158 310263410 /nfs/dbraw/zinc/26/34/10/310263410.db2.gz GPUITQLZPNQVCH-QGZVFWFLSA-N 2 1 346.906 3.484 20 0 EGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C1CC1 ZINC000453213692 310264438 /nfs/dbraw/zinc/26/44/38/310264438.db2.gz ATWMHXGZTQAXMM-DOIPELPJSA-N 2 1 328.500 3.444 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000453295485 310269636 /nfs/dbraw/zinc/26/96/36/310269636.db2.gz YGTUFSQLARWVSG-UHOFOFEASA-N 2 1 330.394 3.201 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000453295485 310269637 /nfs/dbraw/zinc/26/96/37/310269637.db2.gz YGTUFSQLARWVSG-UHOFOFEASA-N 2 1 330.394 3.201 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ncccc2C)[C@H](C)C1 ZINC000453306965 310270186 /nfs/dbraw/zinc/27/01/86/310270186.db2.gz KWDGZYALQJQDJV-QUCCMNQESA-N 2 1 333.520 3.049 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ncccc2C)[C@H](C)C1 ZINC000453306966 310270300 /nfs/dbraw/zinc/27/03/00/310270300.db2.gz KWDGZYALQJQDJV-UYAOXDASSA-N 2 1 333.520 3.049 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+]4CCC[C@@]5(CCOC5)C4)[C@@H]3C2)cc1 ZINC000453384675 310274129 /nfs/dbraw/zinc/27/41/29/310274129.db2.gz TWMMNHQECCHNED-LNRXMEIDSA-N 2 1 340.511 3.400 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[C@H]([N@@H+]4CCC[C@@]5(CCOC5)C4)[C@@H]3C2)cc1 ZINC000453384675 310274130 /nfs/dbraw/zinc/27/41/30/310274130.db2.gz TWMMNHQECCHNED-LNRXMEIDSA-N 2 1 340.511 3.400 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[C@H]([N@H+]4CCC[C@@]5(CCOC5)C4)[C@@H]3C2)cc1 ZINC000453384675 310274131 /nfs/dbraw/zinc/27/41/31/310274131.db2.gz TWMMNHQECCHNED-LNRXMEIDSA-N 2 1 340.511 3.400 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@H+]1C ZINC000455945514 310383171 /nfs/dbraw/zinc/38/31/71/310383171.db2.gz WCWADIWORZIBCI-LSBZLQRGSA-N 2 1 344.503 3.182 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000473282088 310773833 /nfs/dbraw/zinc/77/38/33/310773833.db2.gz ITNFOXPJVAFQGP-IRXDYDNUSA-N 2 1 339.911 3.226 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(C)c1 ZINC000482135870 310926941 /nfs/dbraw/zinc/92/69/41/310926941.db2.gz OJKAGILFNUWGED-PKOBYXMFSA-N 2 1 331.504 3.424 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000482147216 310927156 /nfs/dbraw/zinc/92/71/56/310927156.db2.gz WQUSWYVYUMMLNC-KPFFTGBYSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(C)cc1 ZINC000482153341 310927502 /nfs/dbraw/zinc/92/75/02/310927502.db2.gz AVFQMYBLRBIUMG-PKOBYXMFSA-N 2 1 331.504 3.424 20 0 EGADMP C[C@H](NC(=O)CC[N@H+]1CCCC[C@@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000487205969 311015856 /nfs/dbraw/zinc/01/58/56/311015856.db2.gz WFGCMXSJWWVMQX-ABSDTBQOSA-N 2 1 331.504 3.059 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CS[C@H](C(C)C)C2)[C@H](C)C1 ZINC000488449105 311066104 /nfs/dbraw/zinc/06/61/04/311066104.db2.gz MUHFFIGHABVZRT-OWSLCNJRSA-N 2 1 328.566 3.243 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)/C=C/C[NH+](C)C)c1 ZINC000491684739 311187512 /nfs/dbraw/zinc/18/75/12/311187512.db2.gz HGIYMUMAJJVZTN-RMKNXTFCSA-N 2 1 326.444 3.111 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496237879 311682658 /nfs/dbraw/zinc/68/26/58/311682658.db2.gz QOFHBYLLFROECW-IRXDYDNUSA-N 2 1 333.476 3.147 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000507216677 312063944 /nfs/dbraw/zinc/06/39/44/312063944.db2.gz VFVDEWTXDJWRIL-UHFFFAOYSA-N 2 1 345.487 3.075 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CCCOC1 ZINC000507480656 312074167 /nfs/dbraw/zinc/07/41/67/312074167.db2.gz PLAQHBUXSAZRMY-FUHWJXTLSA-N 2 1 334.479 3.237 20 0 EGADMP CC[C@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000508714048 312100920 /nfs/dbraw/zinc/10/09/20/312100920.db2.gz GUXVYZBBZBOGMO-CEWLAPEOSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)CC(C)(C)C)CC1 ZINC000509058818 312108419 /nfs/dbraw/zinc/10/84/19/312108419.db2.gz XVZYHIKKFHSYMW-UHFFFAOYSA-N 2 1 345.531 3.135 20 0 EGADMP OC[C@H](CC1CCCC1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000510963357 312151945 /nfs/dbraw/zinc/15/19/45/312151945.db2.gz ADQFDJKFRGYJGZ-FNAHDJPLSA-N 2 1 342.527 3.428 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCCCO4)[C@@H]3C2)cc1 ZINC000512620446 312190779 /nfs/dbraw/zinc/19/07/79/312190779.db2.gz QOIJPVBUILQNTE-BQJUDKOJSA-N 2 1 328.500 3.446 20 0 EGADMP Clc1ccc2[nH+]ccc(NCC3([NH+]4CCCC4)CCOCC3)c2c1 ZINC000513654104 312214672 /nfs/dbraw/zinc/21/46/72/312214672.db2.gz UYQKOOMPSXFCDC-UHFFFAOYSA-N 2 1 345.874 3.367 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000514089617 312224721 /nfs/dbraw/zinc/22/47/21/312224721.db2.gz NGVRJYZAXFJKGN-KRWDZBQOSA-N 2 1 349.519 3.312 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000514089617 312224722 /nfs/dbraw/zinc/22/47/22/312224722.db2.gz NGVRJYZAXFJKGN-KRWDZBQOSA-N 2 1 349.519 3.312 20 0 EGADMP CCCOc1ccc(OCC[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000515066157 312264120 /nfs/dbraw/zinc/26/41/20/312264120.db2.gz HRHMMFSZFDWDNX-HXUWFJFHSA-N 2 1 332.488 3.272 20 0 EGADMP CCCOc1ccc(OCC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000515066157 312264123 /nfs/dbraw/zinc/26/41/23/312264123.db2.gz HRHMMFSZFDWDNX-HXUWFJFHSA-N 2 1 332.488 3.272 20 0 EGADMP CCCOc1ccc(OCC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000515066157 312264124 /nfs/dbraw/zinc/26/41/24/312264124.db2.gz HRHMMFSZFDWDNX-HXUWFJFHSA-N 2 1 332.488 3.272 20 0 EGADMP CCCOc1ccc(OCC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000515066157 312264127 /nfs/dbraw/zinc/26/41/27/312264127.db2.gz HRHMMFSZFDWDNX-HXUWFJFHSA-N 2 1 332.488 3.272 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000516872238 312347195 /nfs/dbraw/zinc/34/71/95/312347195.db2.gz SHWKTGQWKJVIFA-JTQLQIEISA-N 2 1 333.220 3.288 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000516872238 312347197 /nfs/dbraw/zinc/34/71/97/312347197.db2.gz SHWKTGQWKJVIFA-JTQLQIEISA-N 2 1 333.220 3.288 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000517125722 312364688 /nfs/dbraw/zinc/36/46/88/312364688.db2.gz YSRXBNWMUUPUMZ-OAHLLOKOSA-N 2 1 325.456 3.207 20 0 EGADMP CCOCC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000517127810 312365141 /nfs/dbraw/zinc/36/51/41/312365141.db2.gz PGAYHCRYDHQGIO-LVCYWYKZSA-N 2 1 348.531 3.042 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000528399839 313085077 /nfs/dbraw/zinc/08/50/77/313085077.db2.gz LLUFUHPXQZYINN-HNNXBMFYSA-N 2 1 345.409 3.033 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000528399839 313085081 /nfs/dbraw/zinc/08/50/81/313085081.db2.gz LLUFUHPXQZYINN-HNNXBMFYSA-N 2 1 345.409 3.033 20 0 EGADMP CC(C)[C@@H]1CN(CCCc2cncn2C)CC[N@H+]1Cc1ccccc1 ZINC000528640236 313135341 /nfs/dbraw/zinc/13/53/41/313135341.db2.gz LFJXEMRFOMHUKW-NRFANRHFSA-N 2 1 340.515 3.195 20 0 EGADMP CC(C)[C@@H]1C[N@H+](CCCc2cncn2C)CCN1Cc1ccccc1 ZINC000528640236 313135344 /nfs/dbraw/zinc/13/53/44/313135344.db2.gz LFJXEMRFOMHUKW-NRFANRHFSA-N 2 1 340.515 3.195 20 0 EGADMP CC(C)[C@@H]1C[N@@H+](CCCc2cncn2C)CCN1Cc1ccccc1 ZINC000528640236 313135346 /nfs/dbraw/zinc/13/53/46/313135346.db2.gz LFJXEMRFOMHUKW-NRFANRHFSA-N 2 1 340.515 3.195 20 0 EGADMP Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cn2cc[nH+]c12 ZINC000529111077 313251492 /nfs/dbraw/zinc/25/14/92/313251492.db2.gz SEHGEJOPMFZJPE-KRWDZBQOSA-N 2 1 341.459 3.171 20 0 EGADMP Cc1cc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)cn2cc[nH+]c12 ZINC000529111077 313251494 /nfs/dbraw/zinc/25/14/94/313251494.db2.gz SEHGEJOPMFZJPE-KRWDZBQOSA-N 2 1 341.459 3.171 20 0 EGADMP CC[C@@H](C[C@H](C)CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000531984155 313739857 /nfs/dbraw/zinc/73/98/57/313739857.db2.gz BBUGUZBSBKLHQC-LPHOPBHVSA-N 2 1 336.495 3.219 20 0 EGADMP COC(C)(C)C[NH+](C)Cc1ccccc1C[N@H+](C)CC(C)(C)OC ZINC000535011145 314013057 /nfs/dbraw/zinc/01/30/57/314013057.db2.gz XUCSEBKSPCMTJY-UHFFFAOYSA-N 2 1 336.520 3.400 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000535083247 314025279 /nfs/dbraw/zinc/02/52/79/314025279.db2.gz PJODDWXYOZLWKP-UHFFFAOYSA-N 2 1 327.476 3.024 20 0 EGADMP C([NH2+]C1C2CC3CC(C2)CC1C3)C1([NH+]2CCCCC2)CCOCC1 ZINC000536852857 314149960 /nfs/dbraw/zinc/14/99/60/314149960.db2.gz PASKSUWWZXCAMJ-UHFFFAOYSA-N 2 1 332.532 3.436 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C)cc2)[C@@H](C)C1 ZINC000536864862 314150872 /nfs/dbraw/zinc/15/08/72/314150872.db2.gz UIFWHVXAOOWMEU-ICSRJNTNSA-N 2 1 334.504 3.100 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)[C@@H](O)C(F)(F)F ZINC000537943588 314218964 /nfs/dbraw/zinc/21/89/64/314218964.db2.gz SKGBMCYVHALUPB-DRPJVOAASA-N 2 1 336.442 3.321 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)[C@@H](O)C(F)(F)F ZINC000537943587 314219057 /nfs/dbraw/zinc/21/90/57/314219057.db2.gz SKGBMCYVHALUPB-DMRZNYOFSA-N 2 1 336.442 3.321 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000539041499 314291397 /nfs/dbraw/zinc/29/13/97/314291397.db2.gz LHLBLNDGZWIESO-VURPSTOHSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000539041499 314291401 /nfs/dbraw/zinc/29/14/01/314291401.db2.gz LHLBLNDGZWIESO-VURPSTOHSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000539041499 314291405 /nfs/dbraw/zinc/29/14/05/314291405.db2.gz LHLBLNDGZWIESO-VURPSTOHSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCN(C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000539041499 314291409 /nfs/dbraw/zinc/29/14/09/314291409.db2.gz LHLBLNDGZWIESO-VURPSTOHSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCN(C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000539041499 314291412 /nfs/dbraw/zinc/29/14/12/314291412.db2.gz LHLBLNDGZWIESO-VURPSTOHSA-N 2 1 329.532 3.359 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2Cc2ccccc2)[C@@H](C)C1 ZINC000539088515 314296253 /nfs/dbraw/zinc/29/62/53/314296253.db2.gz VLNSSKMEQLOSRA-FYZZASKESA-N 2 1 330.516 3.344 20 0 EGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cnc2cnccn12 ZINC000539861273 314346579 /nfs/dbraw/zinc/34/65/79/314346579.db2.gz IDMDSBARALJZGE-MRXNPFEDSA-N 2 1 346.438 3.052 20 0 EGADMP CC1(C)CCC[C@]1(O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000549861296 315107846 /nfs/dbraw/zinc/10/78/46/315107846.db2.gz PARWZNZTAOLKKY-NRFANRHFSA-N 2 1 348.506 3.363 20 0 EGADMP CC(C)[C@H](CNC(=[NH2+])N1CCC(C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000550814665 315135230 /nfs/dbraw/zinc/13/52/30/315135230.db2.gz IMNHJSLIDNPINI-FQEVSTJZSA-N 2 1 342.531 3.326 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000550919009 315137496 /nfs/dbraw/zinc/13/74/96/315137496.db2.gz CBHDIGMGMJTNEY-RKVPGOIHSA-N 2 1 348.560 3.372 20 0 EGADMP CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552247137 315208575 /nfs/dbraw/zinc/20/85/75/315208575.db2.gz CPDWZCCXRUYCSZ-PLACYPQZSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)[C@@H](C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC000554071766 315296089 /nfs/dbraw/zinc/29/60/89/315296089.db2.gz OLEAWFFSBSHHJD-ARFHVFGLSA-N 2 1 336.442 3.442 20 0 EGADMP CC(C)C1CCC(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000554855761 315352949 /nfs/dbraw/zinc/35/29/49/315352949.db2.gz YAALOBXUGWXONM-HAMDTZRPSA-N 2 1 335.580 3.407 20 0 EGADMP Cc1ccnc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000556864573 315477613 /nfs/dbraw/zinc/47/76/13/315477613.db2.gz VDXPMPIJBZDMSZ-WMZOPIPTSA-N 2 1 344.528 3.091 20 0 EGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000558165087 315553481 /nfs/dbraw/zinc/55/34/81/315553481.db2.gz AUOGXICYXVLXKT-MRXNPFEDSA-N 2 1 343.471 3.190 20 0 EGADMP c1ccc(C2=CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)nc1 ZINC000563366264 316008498 /nfs/dbraw/zinc/00/84/98/316008498.db2.gz WYOQYUQARNXCPD-UHFFFAOYSA-N 2 1 349.478 3.203 20 0 EGADMP c1ccc(C2=CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)nc1 ZINC000563366264 316008501 /nfs/dbraw/zinc/00/85/01/316008501.db2.gz WYOQYUQARNXCPD-UHFFFAOYSA-N 2 1 349.478 3.203 20 0 EGADMP CCn1ccnc1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000563622275 316047726 /nfs/dbraw/zinc/04/77/26/316047726.db2.gz DCPIUQVHNMEZNA-MOPGFXCFSA-N 2 1 326.488 3.075 20 0 EGADMP CCn1ccnc1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000563622275 316047729 /nfs/dbraw/zinc/04/77/29/316047729.db2.gz DCPIUQVHNMEZNA-MOPGFXCFSA-N 2 1 326.488 3.075 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)N2CCCCC2)cc1 ZINC000563898702 316088054 /nfs/dbraw/zinc/08/80/54/316088054.db2.gz OXBZBJLMFJWHQB-NSHGMRRFSA-N 2 1 331.504 3.082 20 0 EGADMP Cn1cncc1CCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000565162472 316278606 /nfs/dbraw/zinc/27/86/06/316278606.db2.gz HXPLNJZZRHMDBU-UHFFFAOYSA-N 2 1 340.515 3.197 20 0 EGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000565162472 316278609 /nfs/dbraw/zinc/27/86/09/316278609.db2.gz HXPLNJZZRHMDBU-UHFFFAOYSA-N 3 1 340.515 3.197 20 0 EGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000565162472 316278611 /nfs/dbraw/zinc/27/86/11/316278611.db2.gz HXPLNJZZRHMDBU-UHFFFAOYSA-N 3 1 340.515 3.197 20 0 EGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(-n2cccn2)c(F)c1 ZINC000565171310 316280340 /nfs/dbraw/zinc/28/03/40/316280340.db2.gz KNOFNLKQIVZTMZ-AWEZNQCLSA-N 2 1 327.407 3.028 20 0 EGADMP CCc1noc(CC)c1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000565416090 316321311 /nfs/dbraw/zinc/32/13/11/316321311.db2.gz STIAIIZNZXDVIV-PXNSSMCTSA-N 2 1 341.455 3.145 20 0 EGADMP CC[C@](C)(COc1ncccc1Cl)[NH2+]CCCc1c[nH+]cn1C ZINC000566415266 316470570 /nfs/dbraw/zinc/47/05/70/316470570.db2.gz ZZWPMMSGNUUZJW-QGZVFWFLSA-N 2 1 336.867 3.238 20 0 EGADMP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OC(F)F ZINC000570436637 317055007 /nfs/dbraw/zinc/05/50/07/317055007.db2.gz DREMSUNUZNSWDD-UKRRQHHQSA-N 2 1 342.430 3.459 20 0 EGADMP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OC(F)F ZINC000570436637 317055009 /nfs/dbraw/zinc/05/50/09/317055009.db2.gz DREMSUNUZNSWDD-UKRRQHHQSA-N 2 1 342.430 3.459 20 0 EGADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000570436637 317055012 /nfs/dbraw/zinc/05/50/12/317055012.db2.gz DREMSUNUZNSWDD-UKRRQHHQSA-N 2 1 342.430 3.459 20 0 EGADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000570436637 317055014 /nfs/dbraw/zinc/05/50/14/317055014.db2.gz DREMSUNUZNSWDD-UKRRQHHQSA-N 2 1 342.430 3.459 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000572009958 317278839 /nfs/dbraw/zinc/27/88/39/317278839.db2.gz FHZLVVZPZSQBCV-KXBFYZLASA-N 2 1 325.456 3.174 20 0 EGADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000572148941 317298698 /nfs/dbraw/zinc/29/86/98/317298698.db2.gz KWMGIZXFRXQLOO-FXAWDEMLSA-N 2 1 348.531 3.145 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000572254489 317313141 /nfs/dbraw/zinc/31/31/41/317313141.db2.gz QDQHKBQIBKGQHJ-FQEVSTJZSA-N 2 1 325.456 3.323 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000572254489 317313144 /nfs/dbraw/zinc/31/31/44/317313144.db2.gz QDQHKBQIBKGQHJ-FQEVSTJZSA-N 2 1 325.456 3.323 20 0 EGADMP Cc1ccc([C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C2CCC2)cc1 ZINC000572474897 317344364 /nfs/dbraw/zinc/34/43/64/317344364.db2.gz CSIIHLXFMZDUDA-LJQANCHMSA-N 2 1 339.487 3.211 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000572613507 317365312 /nfs/dbraw/zinc/36/53/12/317365312.db2.gz DXMKCUVNGJYGEF-ZWKOTPCHSA-N 2 1 335.398 3.221 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2cn3ccccc3n2)C[C@H]1c1ccccc1 ZINC000572666668 317372742 /nfs/dbraw/zinc/37/27/42/317372742.db2.gz UNZDNMLLDRBORC-ICSRJNTNSA-N 2 1 334.467 3.302 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cn3ccccc3n2)C[C@H]1c1ccccc1 ZINC000572666668 317372746 /nfs/dbraw/zinc/37/27/46/317372746.db2.gz UNZDNMLLDRBORC-ICSRJNTNSA-N 2 1 334.467 3.302 20 0 EGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000573016207 317424833 /nfs/dbraw/zinc/42/48/33/317424833.db2.gz KIQGUGCVGUNJEG-UHFFFAOYSA-N 2 1 327.472 3.076 20 0 EGADMP CCC[N@@H+](C)Cc1nc(-c2ccc(OCC[NH+]3CCCC3)cc2)no1 ZINC000350642958 324109639 /nfs/dbraw/zinc/10/96/39/324109639.db2.gz IAYFVZSUDBPGNI-UHFFFAOYSA-N 2 1 344.459 3.053 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000387475468 324272482 /nfs/dbraw/zinc/27/24/82/324272482.db2.gz UMBALIOZVIOBRH-WSTZPKSXSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000387475468 324272485 /nfs/dbraw/zinc/27/24/85/324272485.db2.gz UMBALIOZVIOBRH-WSTZPKSXSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000387475468 324272488 /nfs/dbraw/zinc/27/24/88/324272488.db2.gz UMBALIOZVIOBRH-WSTZPKSXSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000387475468 324272491 /nfs/dbraw/zinc/27/24/91/324272491.db2.gz UMBALIOZVIOBRH-WSTZPKSXSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000387475468 324272493 /nfs/dbraw/zinc/27/24/93/324272493.db2.gz UMBALIOZVIOBRH-WSTZPKSXSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1CCC[C@](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)([NH+](C)C)C1 ZINC000396317739 324293069 /nfs/dbraw/zinc/29/30/69/324293069.db2.gz GNKGKQIDNOMJRC-CIDNJEQPSA-N 2 1 336.442 3.323 20 0 EGADMP Cc1cnccc1CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000397526166 324294844 /nfs/dbraw/zinc/29/48/44/324294844.db2.gz QILYPMNGUQNNOX-YADHBBJMSA-N 2 1 335.495 3.386 20 0 EGADMP Cc1cnccc1CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000397526166 324294847 /nfs/dbraw/zinc/29/48/47/324294847.db2.gz QILYPMNGUQNNOX-YADHBBJMSA-N 2 1 335.495 3.386 20 0 EGADMP Cc1cnccc1CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000397526166 324294849 /nfs/dbraw/zinc/29/48/49/324294849.db2.gz QILYPMNGUQNNOX-YADHBBJMSA-N 2 1 335.495 3.386 20 0 EGADMP C[N@@H+](CCCNC(=O)Nc1cccc2c1CC[NH2+]C2)C1CCCCC1 ZINC000579209637 325077908 /nfs/dbraw/zinc/07/79/08/325077908.db2.gz XGJMUPQAMMOBAV-UHFFFAOYSA-N 2 1 344.503 3.108 20 0 EGADMP OCC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCCc2ccccc21 ZINC000579243726 325083532 /nfs/dbraw/zinc/08/35/32/325083532.db2.gz BUSIMULIELPDNJ-QFIPXVFZSA-N 2 1 336.479 3.204 20 0 EGADMP CCc1[nH+]c2ccccc2c(N2CCC([N@@H+](C)CCCO)CC2)c1C ZINC000580111343 325205121 /nfs/dbraw/zinc/20/51/21/325205121.db2.gz IJLLFYXLWARQCQ-UHFFFAOYSA-N 2 1 341.499 3.389 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc4ccoc43)C2)CC1 ZINC000580932992 325310559 /nfs/dbraw/zinc/31/05/59/325310559.db2.gz XLADPTLDEKDDFN-IBGZPJMESA-N 2 1 327.472 3.033 20 0 EGADMP CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000352743046 457576461 /nfs/dbraw/zinc/57/64/61/457576461.db2.gz SNORXBFQAOTQAB-HOCLYGCPSA-N 2 1 325.522 3.278 20 0 EGADMP C[NH+](CCOc1ccc(Br)cc1)CC[C@H]1CCC[N@@H+]1C ZINC000502679789 458664897 /nfs/dbraw/zinc/66/48/97/458664897.db2.gz ALLHQOGKBUJIRP-OAHLLOKOSA-N 2 1 341.293 3.244 20 0 EGADMP C[NH+](CCOc1ccc(Br)cc1)CC[C@H]1CCC[N@H+]1C ZINC000502679789 458664905 /nfs/dbraw/zinc/66/49/05/458664905.db2.gz ALLHQOGKBUJIRP-OAHLLOKOSA-N 2 1 341.293 3.244 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC000557336330 459064017 /nfs/dbraw/zinc/06/40/17/459064017.db2.gz BWAATSQCQWTXMP-KRWDZBQOSA-N 2 1 339.911 3.181 20 0 EGADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000158149245 455274431 /nfs/dbraw/zinc/27/44/31/455274431.db2.gz NLEGMLQCBVDCBV-GDBMZVCRSA-N 2 1 330.451 3.312 20 0 EGADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cnn1-c1ccc(F)cc1 ZINC000158149245 455274435 /nfs/dbraw/zinc/27/44/35/455274435.db2.gz NLEGMLQCBVDCBV-GDBMZVCRSA-N 2 1 330.451 3.312 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245575266 455334290 /nfs/dbraw/zinc/33/42/90/455334290.db2.gz HPSHPEBCRNMBCB-BDTNDASRSA-N 3 1 341.543 3.457 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000245575266 455334292 /nfs/dbraw/zinc/33/42/92/455334292.db2.gz HPSHPEBCRNMBCB-BDTNDASRSA-N 3 1 341.543 3.457 20 0 EGADMP C[NH+]1CCC[C@@H]1CCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000245575266 455334295 /nfs/dbraw/zinc/33/42/95/455334295.db2.gz HPSHPEBCRNMBCB-BDTNDASRSA-N 3 1 341.543 3.457 20 0 EGADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000181705101 455373808 /nfs/dbraw/zinc/37/38/08/455373808.db2.gz IJUPUGAWZIBNNM-LJQANCHMSA-N 2 1 331.548 3.360 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000081401620 453869073 /nfs/dbraw/zinc/86/90/73/453869073.db2.gz ZLKFIQDPUJCJKX-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)o1 ZINC000041822717 453980422 /nfs/dbraw/zinc/98/04/22/453980422.db2.gz XAMFOBMDOQIHAS-MRXNPFEDSA-N 2 1 335.492 3.116 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000068360218 454020196 /nfs/dbraw/zinc/02/01/96/454020196.db2.gz CJBFAHDROOYYQH-INIZCTEOSA-N 2 1 342.487 3.099 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(Nc2cc[nH+]c(N(C)C)n2)CC1 ZINC000077225131 454078582 /nfs/dbraw/zinc/07/85/82/454078582.db2.gz TVMKUXYUTCPGIU-OAHLLOKOSA-N 2 1 325.460 3.180 20 0 EGADMP Cc1nccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000130547888 454205371 /nfs/dbraw/zinc/20/53/71/454205371.db2.gz BLGQQPNEHKBVBO-MRXNPFEDSA-N 2 1 328.460 3.157 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000130547888 454205382 /nfs/dbraw/zinc/20/53/82/454205382.db2.gz BLGQQPNEHKBVBO-MRXNPFEDSA-N 2 1 328.460 3.157 20 0 EGADMP CCC(CC)(C[NH2+][C@H]1CCNC(=O)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000634962874 460632000 /nfs/dbraw/zinc/63/20/00/460632000.db2.gz DQPKNOFZXNKIAC-SJLPKXTDSA-N 2 1 331.504 3.154 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000072997544 454378496 /nfs/dbraw/zinc/37/84/96/454378496.db2.gz CRDMYOYUMVOJLS-OAHLLOKOSA-N 2 1 349.438 3.396 20 0 EGADMP CCN1CC[NH+]([C@@H](C)CNc2cc(C)[nH+]c3ccc(F)cc23)CC1 ZINC000121345272 454423936 /nfs/dbraw/zinc/42/39/36/454423936.db2.gz IAHTXYYOJCGQBB-HNNXBMFYSA-N 2 1 330.451 3.120 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000091306406 454424280 /nfs/dbraw/zinc/42/42/80/454424280.db2.gz UVBPBLMLDMZEDG-DLBZAZTESA-N 2 1 344.421 3.449 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]3CCCCC3)c(C)n2n1 ZINC000121585559 454454520 /nfs/dbraw/zinc/45/45/20/454454520.db2.gz SRLZIFFLLCKBQE-GDBMZVCRSA-N 2 1 329.492 3.119 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000091867541 454483436 /nfs/dbraw/zinc/48/34/36/454483436.db2.gz NHTCDLXRCWJSJY-UHFFFAOYSA-N 2 1 331.435 3.402 20 0 EGADMP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)Nc1ccccc1 ZINC000048564916 454498518 /nfs/dbraw/zinc/49/85/18/454498518.db2.gz VTUOASZZPPOBRX-UHFFFAOYSA-N 2 1 329.488 3.213 20 0 EGADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000092043470 454508343 /nfs/dbraw/zinc/50/83/43/454508343.db2.gz VXBIFAPMOUCTCP-QZTJIDSGSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000092043470 454508345 /nfs/dbraw/zinc/50/83/45/454508345.db2.gz VXBIFAPMOUCTCP-QZTJIDSGSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000092043470 454508348 /nfs/dbraw/zinc/50/83/48/454508348.db2.gz VXBIFAPMOUCTCP-QZTJIDSGSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000092043470 454508350 /nfs/dbraw/zinc/50/83/50/454508350.db2.gz VXBIFAPMOUCTCP-QZTJIDSGSA-N 2 1 332.488 3.400 20 0 EGADMP CC[C@]1(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CCC[NH2+]1 ZINC000134563650 454560519 /nfs/dbraw/zinc/56/05/19/454560519.db2.gz JMPVINRBURNLNK-OXJNMPFZSA-N 2 1 329.488 3.389 20 0 EGADMP CN(c1ccccc1C[N@@H+](C)C[C@@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000092428267 454564586 /nfs/dbraw/zinc/56/45/86/454564586.db2.gz TYCFHGCUDQTIKR-FQEVSTJZSA-N 2 1 345.531 3.218 20 0 EGADMP CCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000123390731 454632123 /nfs/dbraw/zinc/63/21/23/454632123.db2.gz CUPWHPAWOCDVBB-FGTMMUONSA-N 2 1 345.531 3.169 20 0 EGADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000051688367 454634988 /nfs/dbraw/zinc/63/49/88/454634988.db2.gz XUJSTOYVIMFJCZ-KRWDZBQOSA-N 2 1 343.515 3.019 20 0 EGADMP CC[NH+](CC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000051688367 454634992 /nfs/dbraw/zinc/63/49/92/454634992.db2.gz XUJSTOYVIMFJCZ-KRWDZBQOSA-N 2 1 343.515 3.019 20 0 EGADMP CC[NH+](CC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000051688367 454634995 /nfs/dbraw/zinc/63/49/95/454634995.db2.gz XUJSTOYVIMFJCZ-KRWDZBQOSA-N 2 1 343.515 3.019 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135120310 454635688 /nfs/dbraw/zinc/63/56/88/454635688.db2.gz IBNIBZSJTAINGA-SFHVURJKSA-N 2 1 332.488 3.416 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135120310 454635690 /nfs/dbraw/zinc/63/56/90/454635690.db2.gz IBNIBZSJTAINGA-SFHVURJKSA-N 2 1 332.488 3.416 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135120310 454635693 /nfs/dbraw/zinc/63/56/93/454635693.db2.gz IBNIBZSJTAINGA-SFHVURJKSA-N 2 1 332.488 3.416 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135120310 454635695 /nfs/dbraw/zinc/63/56/95/454635695.db2.gz IBNIBZSJTAINGA-SFHVURJKSA-N 2 1 332.488 3.416 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000135120310 454635699 /nfs/dbraw/zinc/63/56/99/454635699.db2.gz IBNIBZSJTAINGA-SFHVURJKSA-N 2 1 332.488 3.416 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(-c3ccco3)no2)CC1 ZINC000052208573 454660879 /nfs/dbraw/zinc/66/08/79/454660879.db2.gz WFSFAOWUQBOWPJ-UHFFFAOYSA-N 2 1 332.448 3.274 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(-c3ccco3)no2)CC1 ZINC000052208573 454660883 /nfs/dbraw/zinc/66/08/83/454660883.db2.gz WFSFAOWUQBOWPJ-UHFFFAOYSA-N 2 1 332.448 3.274 20 0 EGADMP COc1cccc([C@H](CNC(=[NH2+])Nc2ccccc2)[NH+]2CCCC2)c1 ZINC000066242380 454671070 /nfs/dbraw/zinc/67/10/70/454671070.db2.gz XKDHKPHLHCKBPT-IBGZPJMESA-N 2 1 338.455 3.469 20 0 EGADMP Cn1cc[nH+]c1CC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000106166124 454683167 /nfs/dbraw/zinc/68/31/67/454683167.db2.gz MPIQTYOWMFEOGZ-UHFFFAOYSA-N 2 1 333.863 3.407 20 0 EGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cncs2)CC1 ZINC000136056258 454717775 /nfs/dbraw/zinc/71/77/75/454717775.db2.gz VAKKHTYYFNSTQX-AWEZNQCLSA-N 2 1 348.491 3.275 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000176494926 454751890 /nfs/dbraw/zinc/75/18/90/454751890.db2.gz BWIYZXTYWKCMNP-UWVAXJGDSA-N 2 1 326.488 3.253 20 0 EGADMP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C[NH+](C)[C@@H]3CCSC3)c2C1 ZINC000162219906 454760047 /nfs/dbraw/zinc/76/00/47/454760047.db2.gz WKMCRMGGMVBUQH-MRXNPFEDSA-N 2 1 347.528 3.034 20 0 EGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)C[NH+](C)[C@@H]3CCSC3)c2C1 ZINC000162219906 454760051 /nfs/dbraw/zinc/76/00/51/454760051.db2.gz WKMCRMGGMVBUQH-MRXNPFEDSA-N 2 1 347.528 3.034 20 0 EGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)C[N@H+](C)[C@@H]3CCSC3)c2C1 ZINC000162219906 454760053 /nfs/dbraw/zinc/76/00/53/454760053.db2.gz WKMCRMGGMVBUQH-MRXNPFEDSA-N 2 1 347.528 3.034 20 0 EGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)C[N@@H+](C)[C@@H]3CCSC3)c2C1 ZINC000162219906 454760056 /nfs/dbraw/zinc/76/00/56/454760056.db2.gz WKMCRMGGMVBUQH-MRXNPFEDSA-N 2 1 347.528 3.034 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c2ccccc21 ZINC000153746144 454828252 /nfs/dbraw/zinc/82/82/52/454828252.db2.gz HUKSIJNESRJRLQ-MRXNPFEDSA-N 2 1 330.472 3.467 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000163262230 454835001 /nfs/dbraw/zinc/83/50/01/454835001.db2.gz YPNBFZGMDIYSLS-QWFCFKBJSA-N 2 1 345.531 3.276 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000163262230 454835004 /nfs/dbraw/zinc/83/50/04/454835004.db2.gz YPNBFZGMDIYSLS-QWFCFKBJSA-N 2 1 345.531 3.276 20 0 EGADMP CC(C)N(C)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000177426501 454862185 /nfs/dbraw/zinc/86/21/85/454862185.db2.gz VYZDIIVUVNZLDJ-ROUUACIJSA-N 2 1 345.531 3.263 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163933115 454869808 /nfs/dbraw/zinc/86/98/08/454869808.db2.gz ARUFQGYLPKFYLC-LVCYWYKZSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163933115 454869812 /nfs/dbraw/zinc/86/98/12/454869812.db2.gz ARUFQGYLPKFYLC-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163933115 454869814 /nfs/dbraw/zinc/86/98/14/454869814.db2.gz ARUFQGYLPKFYLC-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163933115 454869818 /nfs/dbraw/zinc/86/98/18/454869818.db2.gz ARUFQGYLPKFYLC-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCOCC1 ZINC000126162430 454874446 /nfs/dbraw/zinc/87/44/46/454874446.db2.gz RXDCNXRBHUEWHG-INIZCTEOSA-N 2 1 334.479 3.237 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2(C[NH3+])CCCC2)cc1 ZINC000164585747 454885169 /nfs/dbraw/zinc/88/51/69/454885169.db2.gz SVMQFZCKFOTYJF-QGZVFWFLSA-N 2 1 343.515 3.196 20 0 EGADMP CC1(C)C[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C(C)(C)O1 ZINC000165335648 454899378 /nfs/dbraw/zinc/89/93/78/454899378.db2.gz UPLFMLRPPVKDSB-MOPGFXCFSA-N 2 1 330.516 3.487 20 0 EGADMP CCOc1cccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1OC(F)F ZINC000126663975 454909650 /nfs/dbraw/zinc/90/96/50/454909650.db2.gz FITPQWPMSXVACL-HUUCEWRRSA-N 2 1 340.414 3.403 20 0 EGADMP Cc1noc(C)c1CC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000166297586 454910727 /nfs/dbraw/zinc/91/07/27/454910727.db2.gz UQBKTDYBRZEGRN-IYBDPMFKSA-N 2 1 349.519 3.045 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@@H]2c2ccc(C)o2)CC1 ZINC000151198310 454951932 /nfs/dbraw/zinc/95/19/32/454951932.db2.gz MHARVKXAMUUKOM-GOSISDBHSA-N 2 1 347.503 3.106 20 0 EGADMP C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(Br)s1 ZINC000151359823 454975041 /nfs/dbraw/zinc/97/50/41/454975041.db2.gz UVWOKAXWQGAKDW-LLVKDONJSA-N 2 1 347.322 3.008 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Br)s1 ZINC000151359823 454975044 /nfs/dbraw/zinc/97/50/44/454975044.db2.gz UVWOKAXWQGAKDW-LLVKDONJSA-N 2 1 347.322 3.008 20 0 EGADMP CCSc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000128033696 455020418 /nfs/dbraw/zinc/02/04/18/455020418.db2.gz IDXIGJFKEQPUOB-CVEARBPZSA-N 2 1 349.544 3.037 20 0 EGADMP CCSc1ccccc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000128033696 455020421 /nfs/dbraw/zinc/02/04/21/455020421.db2.gz IDXIGJFKEQPUOB-CVEARBPZSA-N 2 1 349.544 3.037 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)CCSc3ccccc3)C2)CC1 ZINC000155683786 455031199 /nfs/dbraw/zinc/03/11/99/455031199.db2.gz YCPWHHAPVYXAEE-RBUKOAKNSA-N 2 1 347.572 3.269 20 0 EGADMP CC[C@@H](NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000151802161 455032363 /nfs/dbraw/zinc/03/23/63/455032363.db2.gz ZNYOPLONPFBLSU-NHCUHLMSSA-N 2 1 342.458 3.286 20 0 EGADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128251900 455039432 /nfs/dbraw/zinc/03/94/32/455039432.db2.gz GJIFKCNSCDBAIC-OXQOHEQNSA-N 2 1 333.495 3.066 20 0 EGADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128553835 455067382 /nfs/dbraw/zinc/06/73/82/455067382.db2.gz DTIPXMIQAHAIHZ-OAQYLSRUSA-N 2 1 331.548 3.261 20 0 EGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000152403124 455113276 /nfs/dbraw/zinc/11/32/76/455113276.db2.gz RQPZZWAGXFAPKM-CEXWTWQISA-N 2 1 344.547 3.002 20 0 EGADMP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(-c2ccc(F)cc2)n1 ZINC000623657017 460663934 /nfs/dbraw/zinc/66/39/34/460663934.db2.gz HZAHFEGZSAIPOI-HNNXBMFYSA-N 2 1 330.451 3.048 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)[C@H](C)C1 ZINC000156857130 455153781 /nfs/dbraw/zinc/15/37/81/455153781.db2.gz RLLOJQRGGAENDG-RHSMWYFYSA-N 2 1 346.450 3.128 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN([C@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000245413891 455292011 /nfs/dbraw/zinc/29/20/11/455292011.db2.gz BWEUVVDSXJMGCH-RTBURBONSA-N 2 1 345.531 3.006 20 0 EGADMP CC(C)N(C)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000245478292 455310677 /nfs/dbraw/zinc/31/06/77/455310677.db2.gz VFXUMMAPNKKEKF-QZTJIDSGSA-N 2 1 345.531 3.406 20 0 EGADMP CC(=O)c1ccc(NC(=O)CCN(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000173635505 455320234 /nfs/dbraw/zinc/32/02/34/455320234.db2.gz YIGYBMYYSRUYIR-LJQANCHMSA-N 2 1 345.487 3.024 20 0 EGADMP CC(=O)c1ccc(NC(=O)CC[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000173635505 455320238 /nfs/dbraw/zinc/32/02/38/455320238.db2.gz YIGYBMYYSRUYIR-LJQANCHMSA-N 2 1 345.487 3.024 20 0 EGADMP CC(=O)c1ccc(NC(=O)CC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000173635505 455320241 /nfs/dbraw/zinc/32/02/41/455320241.db2.gz YIGYBMYYSRUYIR-LJQANCHMSA-N 2 1 345.487 3.024 20 0 EGADMP CC(=O)c1ccc(NC(=O)CC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000173635505 455320244 /nfs/dbraw/zinc/32/02/44/455320244.db2.gz YIGYBMYYSRUYIR-LJQANCHMSA-N 2 1 345.487 3.024 20 0 EGADMP CC(=O)c1ccc(NC(=O)CC[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000173635505 455320250 /nfs/dbraw/zinc/32/02/50/455320250.db2.gz YIGYBMYYSRUYIR-LJQANCHMSA-N 2 1 345.487 3.024 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)c1ccsc1 ZINC000245928480 455401502 /nfs/dbraw/zinc/40/15/02/455401502.db2.gz XIAQPSJFCCSVGC-IAGOWNOFSA-N 2 1 337.533 3.122 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(Br)c2)[C@@H](C)C1 ZINC000246217920 455450726 /nfs/dbraw/zinc/45/07/26/455450726.db2.gz PSLQCVTUVLIUNZ-SWLSCSKDSA-N 2 1 341.293 3.278 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(Br)c2)[C@@H](C)C1 ZINC000246217920 455450729 /nfs/dbraw/zinc/45/07/29/455450729.db2.gz PSLQCVTUVLIUNZ-SWLSCSKDSA-N 2 1 341.293 3.278 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCC(=O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000182201986 455459445 /nfs/dbraw/zinc/45/94/45/455459445.db2.gz VOAVQSDOYHIZPF-HDICACEKSA-N 2 1 344.499 3.081 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN([C@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000246289973 455464908 /nfs/dbraw/zinc/46/49/08/455464908.db2.gz XRYIHIUPTJLBJY-VQIMIIECSA-N 2 1 347.503 3.076 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000246298476 455466450 /nfs/dbraw/zinc/46/64/50/455466450.db2.gz NUECUSDUTCWCLV-WOJBJXKFSA-N 2 1 345.531 3.441 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000246328511 455471896 /nfs/dbraw/zinc/47/18/96/455471896.db2.gz KBRGWBJALUQWQW-YJBOKZPZSA-N 2 1 349.906 3.109 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000191520717 455493464 /nfs/dbraw/zinc/49/34/64/455493464.db2.gz FWVUPAXBFFUHIG-OKZBNKHCSA-N 2 1 348.535 3.098 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000191520717 455493468 /nfs/dbraw/zinc/49/34/68/455493468.db2.gz FWVUPAXBFFUHIG-OKZBNKHCSA-N 2 1 348.535 3.098 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000246459449 455493470 /nfs/dbraw/zinc/49/34/70/455493470.db2.gz PSHDMTSDYCNUKR-SHJAMOMRSA-N 2 1 346.515 3.384 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000246459449 455493474 /nfs/dbraw/zinc/49/34/74/455493474.db2.gz PSHDMTSDYCNUKR-SHJAMOMRSA-N 2 1 346.515 3.384 20 0 EGADMP CCc1noc(-c2ccc(CC[NH2+][C@H]3CC[N@H+](CC)C[C@H]3C)cc2)n1 ZINC000246497143 455501466 /nfs/dbraw/zinc/50/14/66/455501466.db2.gz SIMAPUYVPYPWLV-QAPCUYQASA-N 2 1 342.487 3.161 20 0 EGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246828739 455528403 /nfs/dbraw/zinc/52/84/03/455528403.db2.gz AIJNZYDZBGPZSH-IOASZLSFSA-N 2 1 325.294 3.452 20 0 EGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246828739 455528407 /nfs/dbraw/zinc/52/84/07/455528407.db2.gz AIJNZYDZBGPZSH-IOASZLSFSA-N 2 1 325.294 3.452 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000246928166 455536096 /nfs/dbraw/zinc/53/60/96/455536096.db2.gz GZBYRQSVSMNDKB-RXVVDRJESA-N 3 1 347.547 3.227 20 0 EGADMP CC[NH+](CC)CCOc1ccc(CN[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000246928166 455536099 /nfs/dbraw/zinc/53/60/99/455536099.db2.gz GZBYRQSVSMNDKB-RXVVDRJESA-N 2 1 347.547 3.227 20 0 EGADMP CC[NH+](CC)CCOc1ccc(CN[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000246928166 455536103 /nfs/dbraw/zinc/53/61/03/455536103.db2.gz GZBYRQSVSMNDKB-RXVVDRJESA-N 2 1 347.547 3.227 20 0 EGADMP CCN1CC[C@H]([NH2+]Cc2ccc(OCC[NH+](CC)CC)cc2)[C@@H](C)C1 ZINC000246928166 455536106 /nfs/dbraw/zinc/53/61/06/455536106.db2.gz GZBYRQSVSMNDKB-RXVVDRJESA-N 2 1 347.547 3.227 20 0 EGADMP COc1ccc(C2(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)CCOCC2)cc1 ZINC000247142863 455566234 /nfs/dbraw/zinc/56/62/34/455566234.db2.gz SJFQEXNMMIYOND-SQGPQFPESA-N 2 1 346.515 3.062 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000247178218 455569202 /nfs/dbraw/zinc/56/92/02/455569202.db2.gz YZVCISVBAKLDBF-SJORKVTESA-N 2 1 327.476 3.038 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000268152551 455603896 /nfs/dbraw/zinc/60/38/96/455603896.db2.gz RQIHPRXWAQHDMM-OAHLLOKOSA-N 2 1 337.533 3.052 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000185749214 455613989 /nfs/dbraw/zinc/61/39/89/455613989.db2.gz GUOVXESQHBGOKR-UHFFFAOYSA-N 2 1 326.419 3.111 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749813 455614620 /nfs/dbraw/zinc/61/46/20/455614620.db2.gz SMAQOXOFRWZYPD-VQIMIIECSA-N 2 1 343.515 3.131 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749813 455614624 /nfs/dbraw/zinc/61/46/24/455614624.db2.gz SMAQOXOFRWZYPD-VQIMIIECSA-N 2 1 343.515 3.131 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185758417 455615646 /nfs/dbraw/zinc/61/56/46/455615646.db2.gz ZFTPYOAAKFROEC-ZIFCJYIRSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185758417 455615653 /nfs/dbraw/zinc/61/56/53/455615653.db2.gz ZFTPYOAAKFROEC-ZIFCJYIRSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(-c3ccccn3)c2)CCCO1 ZINC000277625361 455617347 /nfs/dbraw/zinc/61/73/47/455617347.db2.gz BSDHWAQFGJFRTB-GOSISDBHSA-N 2 1 339.483 3.339 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1Cl ZINC000247954130 455659500 /nfs/dbraw/zinc/65/95/00/455659500.db2.gz FIIARRFAZJGLCR-HIFRSBDPSA-N 2 1 328.859 3.367 20 0 EGADMP Cc1cccc(C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C2CC2)c1 ZINC000247962948 455661786 /nfs/dbraw/zinc/66/17/86/455661786.db2.gz GLYZDGUTSDPIJI-LEWJYISDSA-N 2 1 330.516 3.143 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cccc(OCC[NH+](C)C)c1 ZINC000271511945 455665822 /nfs/dbraw/zinc/66/58/22/455665822.db2.gz OCCVKCQSXBITMA-KDOFPFPSSA-N 2 1 328.460 3.078 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248003958 455669478 /nfs/dbraw/zinc/66/94/78/455669478.db2.gz KQFOZYSJXQPYDM-MPGHIAIKSA-N 2 1 349.906 3.392 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(OC(F)F)c1 ZINC000248009873 455670324 /nfs/dbraw/zinc/67/03/24/455670324.db2.gz LDHFQYUVVFTSKA-HOCLYGCPSA-N 2 1 342.430 3.176 20 0 EGADMP Cc1nc(C)c([C@@H](C)[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)s1 ZINC000192736752 455681859 /nfs/dbraw/zinc/68/18/59/455681859.db2.gz BSZTUHCTBSPJGO-MRXNPFEDSA-N 2 1 338.565 3.169 20 0 EGADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)Cc1ccsc1 ZINC000192834769 455703663 /nfs/dbraw/zinc/70/36/63/455703663.db2.gz HVMIBMQWNXTXJV-GOSISDBHSA-N 2 1 337.577 3.417 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000192847478 455706125 /nfs/dbraw/zinc/70/61/25/455706125.db2.gz PNCFBKGOYOLENT-HUUCEWRRSA-N 2 1 334.460 3.074 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000192847478 455706131 /nfs/dbraw/zinc/70/61/31/455706131.db2.gz PNCFBKGOYOLENT-HUUCEWRRSA-N 2 1 334.460 3.074 20 0 EGADMP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000268827446 455716138 /nfs/dbraw/zinc/71/61/38/455716138.db2.gz ISPUOLXFHBPSSL-MRXNPFEDSA-N 2 1 340.533 3.253 20 0 EGADMP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192923176 455717698 /nfs/dbraw/zinc/71/76/98/455717698.db2.gz JMPALJXEOZTAKB-VXKWHMMOSA-N 2 1 338.495 3.356 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268892348 455720640 /nfs/dbraw/zinc/72/06/40/455720640.db2.gz PGTBBJVXYGKSSV-OALUTQOASA-N 2 1 345.531 3.294 20 0 EGADMP Fc1ccc2c(c1)CCC[C@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000271761118 455750995 /nfs/dbraw/zinc/75/09/95/455750995.db2.gz ZPKLOBMEHNMZQE-LJQANCHMSA-N 2 1 332.463 3.438 20 0 EGADMP CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000186448381 455770894 /nfs/dbraw/zinc/77/08/94/455770894.db2.gz PKZFQCRTKJIPGR-WMLDXEAASA-N 2 1 342.443 3.062 20 0 EGADMP CCOc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)ccc1OC(F)F ZINC000271817365 455772359 /nfs/dbraw/zinc/77/23/59/455772359.db2.gz MDBJSCZGHMRECK-UHFFFAOYSA-N 2 1 326.387 3.038 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000252197331 455803617 /nfs/dbraw/zinc/80/36/17/455803617.db2.gz SOZGKUFAIKWFLF-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000252197331 455803621 /nfs/dbraw/zinc/80/36/21/455803621.db2.gz SOZGKUFAIKWFLF-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000252197331 455803624 /nfs/dbraw/zinc/80/36/24/455803624.db2.gz SOZGKUFAIKWFLF-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000269175736 455804025 /nfs/dbraw/zinc/80/40/25/455804025.db2.gz ILIUHMIGFBHVSE-VQTJNVASSA-N 2 1 343.515 3.085 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NCc2cccc(C)c2)CC1 ZINC000601061947 460694827 /nfs/dbraw/zinc/69/48/27/460694827.db2.gz IOZKBVMUNVSDDI-UHFFFAOYSA-N 2 1 345.531 3.055 20 0 EGADMP CCn1cc(CC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000285406561 455838081 /nfs/dbraw/zinc/83/80/81/455838081.db2.gz CUMQFBWLHJHVEK-OAQYLSRUSA-N 2 1 338.499 3.044 20 0 EGADMP CCn1cc(CC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000285406561 455838086 /nfs/dbraw/zinc/83/80/86/455838086.db2.gz CUMQFBWLHJHVEK-OAQYLSRUSA-N 2 1 338.499 3.044 20 0 EGADMP CCn1cc(CC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000285406561 455838092 /nfs/dbraw/zinc/83/80/92/455838092.db2.gz CUMQFBWLHJHVEK-OAQYLSRUSA-N 2 1 338.499 3.044 20 0 EGADMP Cc1ccc(-c2ccc(C[N@H+](CCO)C3CCN(C)CC3)o2)cc1 ZINC000269361273 455843188 /nfs/dbraw/zinc/84/31/88/455843188.db2.gz PAYWOCGUCMDMDZ-UHFFFAOYSA-N 2 1 328.456 3.144 20 0 EGADMP Cc1ccc(-c2ccc(CN(CCO)C3CC[NH+](C)CC3)o2)cc1 ZINC000269361273 455843193 /nfs/dbraw/zinc/84/31/93/455843193.db2.gz PAYWOCGUCMDMDZ-UHFFFAOYSA-N 2 1 328.456 3.144 20 0 EGADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1F ZINC000186855599 455844563 /nfs/dbraw/zinc/84/45/63/455844563.db2.gz JREYLVSPLPEKGR-KVSKMBFKSA-N 2 1 334.479 3.429 20 0 EGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1F ZINC000186855599 455844568 /nfs/dbraw/zinc/84/45/68/455844568.db2.gz JREYLVSPLPEKGR-KVSKMBFKSA-N 2 1 334.479 3.429 20 0 EGADMP COc1ccc(C[C@H](C)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1F ZINC000186855599 455844571 /nfs/dbraw/zinc/84/45/71/455844571.db2.gz JREYLVSPLPEKGR-KVSKMBFKSA-N 2 1 334.479 3.429 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000186875564 455847084 /nfs/dbraw/zinc/84/70/84/455847084.db2.gz SYQWOZWHGTYIPU-JYWFKMLOSA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186875564 455847088 /nfs/dbraw/zinc/84/70/88/455847088.db2.gz SYQWOZWHGTYIPU-JYWFKMLOSA-N 3 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186875564 455847092 /nfs/dbraw/zinc/84/70/92/455847092.db2.gz SYQWOZWHGTYIPU-JYWFKMLOSA-N 3 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000186875564 455847097 /nfs/dbraw/zinc/84/70/97/455847097.db2.gz SYQWOZWHGTYIPU-JYWFKMLOSA-N 3 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000186875564 455847099 /nfs/dbraw/zinc/84/70/99/455847099.db2.gz SYQWOZWHGTYIPU-JYWFKMLOSA-N 3 1 329.532 3.215 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000285485265 455855633 /nfs/dbraw/zinc/85/56/33/455855633.db2.gz CYDINWQYXKNAFD-OAQYLSRUSA-N 2 1 348.531 3.181 20 0 EGADMP Cc1cc(C)n(CC[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000285517539 455862915 /nfs/dbraw/zinc/86/29/15/455862915.db2.gz KDPGUCRJPPQANX-NRFANRHFSA-N 2 1 338.499 3.098 20 0 EGADMP Cc1cc(C)n(CC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000285517539 455862917 /nfs/dbraw/zinc/86/29/17/455862917.db2.gz KDPGUCRJPPQANX-NRFANRHFSA-N 2 1 338.499 3.098 20 0 EGADMP Cc1cc(C)n(CC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000285517539 455862919 /nfs/dbraw/zinc/86/29/19/455862919.db2.gz KDPGUCRJPPQANX-NRFANRHFSA-N 2 1 338.499 3.098 20 0 EGADMP Cc1cc(C)n(CC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000285517539 455862923 /nfs/dbraw/zinc/86/29/23/455862923.db2.gz KDPGUCRJPPQANX-NRFANRHFSA-N 2 1 338.499 3.098 20 0 EGADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000272177186 455867174 /nfs/dbraw/zinc/86/71/74/455867174.db2.gz JLRNKUMZNULMCT-LPHOPBHVSA-N 2 1 340.467 3.401 20 0 EGADMP C[N@@H+](CCC(=O)Nc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285556912 455869193 /nfs/dbraw/zinc/86/91/93/455869193.db2.gz RFPCNANFXPPQCQ-YIONKMFJSA-N 2 1 335.879 3.226 20 0 EGADMP C[NH+](CCC(=O)Nc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285556912 455869199 /nfs/dbraw/zinc/86/91/99/455869199.db2.gz RFPCNANFXPPQCQ-YIONKMFJSA-N 2 1 335.879 3.226 20 0 EGADMP C[NH+](CCC(=O)Nc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285556912 455869203 /nfs/dbraw/zinc/86/92/03/455869203.db2.gz RFPCNANFXPPQCQ-YIONKMFJSA-N 2 1 335.879 3.226 20 0 EGADMP CN(CCC[N@@H+](C)CCc1nc2ccccc2n1C)Cc1ccco1 ZINC000285570571 455872398 /nfs/dbraw/zinc/87/23/98/455872398.db2.gz HYDRDUPEIVFMCO-UHFFFAOYSA-N 2 1 340.471 3.163 20 0 EGADMP c1cn(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000285611730 455881693 /nfs/dbraw/zinc/88/16/93/455881693.db2.gz KHJKHKQEQDDCSA-PWRODBHTSA-N 2 1 338.499 3.164 20 0 EGADMP CCC[NH+]1CCC(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272271691 455898414 /nfs/dbraw/zinc/89/84/14/455898414.db2.gz BOGPRVJTUZIYGO-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272271691 455898419 /nfs/dbraw/zinc/89/84/19/455898419.db2.gz BOGPRVJTUZIYGO-AZUAARDMSA-N 3 1 329.532 3.361 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272271691 455898424 /nfs/dbraw/zinc/89/84/24/455898424.db2.gz BOGPRVJTUZIYGO-AZUAARDMSA-N 3 1 329.532 3.361 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cccc(O)c3)CC2)nc(C)[nH+]1 ZINC000194908818 455898969 /nfs/dbraw/zinc/89/89/69/455898969.db2.gz HLEDBNLHOTZZKU-AWEZNQCLSA-N 2 1 326.444 3.119 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000285705788 455899995 /nfs/dbraw/zinc/89/99/95/455899995.db2.gz PHGURUUZJPXIRP-JKSUJKDBSA-N 2 1 345.487 3.323 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000261400085 455902322 /nfs/dbraw/zinc/90/23/22/455902322.db2.gz FSZYAHFQSINLQJ-NHCUHLMSSA-N 2 1 326.484 3.466 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000261400085 455902326 /nfs/dbraw/zinc/90/23/26/455902326.db2.gz FSZYAHFQSINLQJ-NHCUHLMSSA-N 2 1 326.484 3.466 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1C ZINC000272293551 455904831 /nfs/dbraw/zinc/90/48/31/455904831.db2.gz FOSLOBIRZFMOCH-JTDSTZFVSA-N 2 1 326.488 3.290 20 0 EGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000280174663 455909059 /nfs/dbraw/zinc/90/90/59/455909059.db2.gz HBIIUOFNRLHBGM-QGZVFWFLSA-N 2 1 347.894 3.227 20 0 EGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000280174663 455909063 /nfs/dbraw/zinc/90/90/63/455909063.db2.gz HBIIUOFNRLHBGM-QGZVFWFLSA-N 2 1 347.894 3.227 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000280174663 455909067 /nfs/dbraw/zinc/90/90/67/455909067.db2.gz HBIIUOFNRLHBGM-QGZVFWFLSA-N 2 1 347.894 3.227 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000280174663 455909072 /nfs/dbraw/zinc/90/90/72/455909072.db2.gz HBIIUOFNRLHBGM-QGZVFWFLSA-N 2 1 347.894 3.227 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272307525 455909406 /nfs/dbraw/zinc/90/94/06/455909406.db2.gz IDFXZKZSRCJZRL-NLWGTHIKSA-N 2 1 345.531 3.134 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000272321715 455912713 /nfs/dbraw/zinc/91/27/13/455912713.db2.gz AUJKOBDUXNALFN-UHFFFAOYSA-N 2 1 342.365 3.053 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000296365923 455920102 /nfs/dbraw/zinc/92/01/02/455920102.db2.gz IZTUJEVZTKWXLK-JXKHTJAUSA-N 2 1 342.483 3.383 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](Cc2ccncc2)c2ccc(OC)cc2)CC1 ZINC000285813550 455921646 /nfs/dbraw/zinc/92/16/46/455921646.db2.gz VXDUUVJSGGVHGZ-OAQYLSRUSA-N 2 1 339.483 3.448 20 0 EGADMP c1ccc([C@@H]2C[N@H+](CCC[NH+]3CCCCC3)[C@H]3CCOC[C@@H]23)cc1 ZINC000286059543 455970622 /nfs/dbraw/zinc/97/06/22/455970622.db2.gz RLGKVHBKURRKKB-ACRUOGEOSA-N 2 1 328.500 3.367 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261983537 455981282 /nfs/dbraw/zinc/98/12/82/455981282.db2.gz RPAIZEHKFLRPFI-WCQYABFASA-N 2 1 338.377 3.265 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000262013932 455984900 /nfs/dbraw/zinc/98/49/00/455984900.db2.gz WSGIGWVRCIMRBG-NEPJUHHUSA-N 2 1 344.286 3.381 20 0 EGADMP CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000262022054 455986667 /nfs/dbraw/zinc/98/66/67/455986667.db2.gz WGTJXDKTYIMMQF-YSIASYRMSA-N 2 1 336.483 3.409 20 0 EGADMP Cc1noc(C)c1CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272559488 455994156 /nfs/dbraw/zinc/99/41/56/455994156.db2.gz UGFKTQUEBDTLSS-DNVCBOLYSA-N 2 1 327.472 3.334 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000272571718 455998247 /nfs/dbraw/zinc/99/82/47/455998247.db2.gz FTLNFNPYEHLQLG-AZUAARDMSA-N 2 1 343.515 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000272571718 455998258 /nfs/dbraw/zinc/99/82/58/455998258.db2.gz FTLNFNPYEHLQLG-AZUAARDMSA-N 2 1 343.515 3.085 20 0 EGADMP Fc1cc(Cl)ccc1N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000623756861 460706549 /nfs/dbraw/zinc/70/65/49/460706549.db2.gz IFCOJHQICUSHHH-JYJNAYRXSA-N 2 1 337.870 3.274 20 0 EGADMP COc1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000272589293 456005804 /nfs/dbraw/zinc/00/58/04/456005804.db2.gz XAGVXBFGHXERQA-APWZRJJASA-N 2 1 325.456 3.090 20 0 EGADMP OCCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCCC1 ZINC000272608842 456012698 /nfs/dbraw/zinc/01/26/98/456012698.db2.gz VSVRRUZENPWLBV-QHAWAJNXSA-N 2 1 342.527 3.429 20 0 EGADMP C[C@H](CO)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272633988 456020242 /nfs/dbraw/zinc/02/02/42/456020242.db2.gz BJYXKMCRMNAHLK-OYNPSCLESA-N 2 1 330.516 3.285 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000286308058 456020551 /nfs/dbraw/zinc/02/05/51/456020551.db2.gz XALTULDYYHDXCV-WBVHZDCISA-N 2 1 334.504 3.265 20 0 EGADMP C[C@H](CO)CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272633991 456020658 /nfs/dbraw/zinc/02/06/58/456020658.db2.gz BJYXKMCRMNAHLK-ZIBCJSCZSA-N 2 1 330.516 3.285 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CSCCS1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272668524 456032512 /nfs/dbraw/zinc/03/25/12/456032512.db2.gz OTHWLXJLOXXNHV-JQHSSLGASA-N 2 1 336.570 3.335 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC1 ZINC000272670622 456034143 /nfs/dbraw/zinc/03/41/43/456034143.db2.gz KJTUVIGVVPRSRQ-BHDDXSALSA-N 3 1 339.527 3.139 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000272670622 456034146 /nfs/dbraw/zinc/03/41/46/456034146.db2.gz KJTUVIGVVPRSRQ-BHDDXSALSA-N 3 1 339.527 3.139 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000272670622 456034151 /nfs/dbraw/zinc/03/41/51/456034151.db2.gz KJTUVIGVVPRSRQ-BHDDXSALSA-N 3 1 339.527 3.139 20 0 EGADMP C[C@@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cc1 ZINC000272692281 456041070 /nfs/dbraw/zinc/04/10/70/456041070.db2.gz DQLLUCHYOZPVQT-HRAATJIYSA-N 2 1 342.458 3.286 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1([S@@](C)=O)CCC1 ZINC000280758806 456046915 /nfs/dbraw/zinc/04/69/15/456046915.db2.gz YLWPDAUTLRJDIG-HSZRJFAPSA-N 2 1 336.545 3.035 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1([S@@](C)=O)CCC1 ZINC000280758806 456046917 /nfs/dbraw/zinc/04/69/17/456046917.db2.gz YLWPDAUTLRJDIG-HSZRJFAPSA-N 2 1 336.545 3.035 20 0 EGADMP CC[N@@H+](CCCC1CC[NH+](Cc2ccno2)CC1)Cc1ccno1 ZINC000270826431 456047980 /nfs/dbraw/zinc/04/79/80/456047980.db2.gz IFJRTLBCTXNWLA-UHFFFAOYSA-N 2 1 332.448 3.177 20 0 EGADMP Cc1cnc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)s1 ZINC000296850841 456052945 /nfs/dbraw/zinc/05/29/45/456052945.db2.gz OQOLMVAGCNRPNO-UHFFFAOYSA-N 2 1 331.485 3.214 20 0 EGADMP Cc1ccncc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000272730676 456054789 /nfs/dbraw/zinc/05/47/89/456054789.db2.gz IJVZIFXBNRRKHN-XLIONFOSSA-N 2 1 339.483 3.198 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000280816958 456059198 /nfs/dbraw/zinc/05/91/98/456059198.db2.gz IOIKMXLEZAIETO-WMZOPIPTSA-N 2 1 332.488 3.218 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000280816958 456059201 /nfs/dbraw/zinc/05/92/01/456059201.db2.gz IOIKMXLEZAIETO-WMZOPIPTSA-N 2 1 332.488 3.218 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000263305516 456122541 /nfs/dbraw/zinc/12/25/41/456122541.db2.gz XTLULEFFQRVJNA-LXZJYRNTSA-N 2 1 335.536 3.007 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000273024474 456149561 /nfs/dbraw/zinc/14/95/61/456149561.db2.gz XGNVHYSSAVGFOS-LAUBAEHRSA-N 2 1 340.442 3.169 20 0 EGADMP O[C@@H](CCc1ccccc1)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000273073063 456168392 /nfs/dbraw/zinc/16/83/92/456168392.db2.gz HKZKLHQPKWHDPK-QFIPXVFZSA-N 2 1 338.495 3.234 20 0 EGADMP CC1CC[NH+](CCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189007349 456197442 /nfs/dbraw/zinc/19/74/42/456197442.db2.gz PPLYATDNAPZJAS-UHFFFAOYSA-N 2 1 344.478 3.282 20 0 EGADMP CCc1ccc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)o1 ZINC000290015863 456216218 /nfs/dbraw/zinc/21/62/18/456216218.db2.gz BXTWSCSBVJNBDL-HNNXBMFYSA-N 2 1 331.460 3.418 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1)C(C)C ZINC000236995379 456216951 /nfs/dbraw/zinc/21/69/51/456216951.db2.gz XPOYUQLWDUUAIR-RTBURBONSA-N 2 1 331.504 3.164 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc4cc[nH]c43)cc2)CC1 ZINC000237089956 456230501 /nfs/dbraw/zinc/23/05/01/456230501.db2.gz QPLZYBBNZQCVIK-UHFFFAOYSA-N 2 1 348.494 3.205 20 0 EGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(Cl)nc3)CC2)C[C@@H](C)O1 ZINC000263893956 456258456 /nfs/dbraw/zinc/25/84/56/456258456.db2.gz GYQDGLTZEPLVGS-HUUCEWRRSA-N 2 1 337.895 3.056 20 0 EGADMP COc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccc1OC(F)F ZINC000263904168 456260468 /nfs/dbraw/zinc/26/04/68/456260468.db2.gz FCLDLRFDMZFGJZ-UHFFFAOYSA-N 2 1 328.403 3.214 20 0 EGADMP COc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccc1OC(F)F ZINC000263904168 456260472 /nfs/dbraw/zinc/26/04/72/456260472.db2.gz FCLDLRFDMZFGJZ-UHFFFAOYSA-N 2 1 328.403 3.214 20 0 EGADMP CC(C)n1cc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cn1 ZINC000290205387 456266070 /nfs/dbraw/zinc/26/60/70/456266070.db2.gz GYFIVCNRLSPGSH-MRXNPFEDSA-N 2 1 345.491 3.040 20 0 EGADMP CCc1c(C)[nH+]c2ccccc2c1NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000302069771 456279943 /nfs/dbraw/zinc/27/99/43/456279943.db2.gz VKWCROKKOCVZPI-OAHLLOKOSA-N 2 1 326.488 3.153 20 0 EGADMP CCOCc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)ccc1OC ZINC000290288819 456280433 /nfs/dbraw/zinc/28/04/33/456280433.db2.gz ACVWZGAYJLCNLG-UHFFFAOYSA-N 2 1 331.460 3.259 20 0 EGADMP CCOCc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)ccc1OC ZINC000290288819 456280436 /nfs/dbraw/zinc/28/04/36/456280436.db2.gz ACVWZGAYJLCNLG-UHFFFAOYSA-N 2 1 331.460 3.259 20 0 EGADMP COc1ccc(C[C@@H](C)C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352760737 456281121 /nfs/dbraw/zinc/28/11/21/456281121.db2.gz RPGPHXSOUKTPSK-CQSZACIVSA-N 2 1 333.501 3.182 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nn1C ZINC000342869434 456284668 /nfs/dbraw/zinc/28/46/68/456284668.db2.gz XZQPWKUFZOSIHW-UHFFFAOYSA-N 2 1 338.499 3.217 20 0 EGADMP Cc1cnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000342872016 456286582 /nfs/dbraw/zinc/28/65/82/456286582.db2.gz BFIYXAPLEISJIF-UHFFFAOYSA-N 2 1 336.483 3.273 20 0 EGADMP C[N@H+]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340190621 456302261 /nfs/dbraw/zinc/30/22/61/456302261.db2.gz IVLSKAJOSAJTHK-LEWJYISDSA-N 2 1 327.516 3.286 20 0 EGADMP CC(C)[NH+](CCCNC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)C(C)C ZINC000347685643 456305446 /nfs/dbraw/zinc/30/54/46/456305446.db2.gz HRTFICPJASGILO-MSOLQXFVSA-N 2 1 340.556 3.057 20 0 EGADMP Cc1ccc2[nH+]ccc(N3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)c2c1 ZINC000302178967 456307720 /nfs/dbraw/zinc/30/77/20/456307720.db2.gz YLMNBFDWQDABSU-INIZCTEOSA-N 2 1 325.456 3.233 20 0 EGADMP CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000352801945 456321194 /nfs/dbraw/zinc/32/11/94/456321194.db2.gz UWYKBJFGVANZFD-MJGOQNOKSA-N 2 1 343.515 3.133 20 0 EGADMP CNC(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000352801945 456321199 /nfs/dbraw/zinc/32/11/99/456321199.db2.gz UWYKBJFGVANZFD-MJGOQNOKSA-N 2 1 343.515 3.133 20 0 EGADMP CNC(=O)c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000352801945 456321206 /nfs/dbraw/zinc/32/12/06/456321206.db2.gz UWYKBJFGVANZFD-MJGOQNOKSA-N 2 1 343.515 3.133 20 0 EGADMP CNC(=O)c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000352801945 456321212 /nfs/dbraw/zinc/32/12/12/456321212.db2.gz UWYKBJFGVANZFD-MJGOQNOKSA-N 2 1 343.515 3.133 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000340231250 456326680 /nfs/dbraw/zinc/32/66/80/456326680.db2.gz NNWKXAVIJBYSLH-AHRSYUTCSA-N 2 1 326.488 3.253 20 0 EGADMP COCCSCCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352828810 456342914 /nfs/dbraw/zinc/34/29/14/456342914.db2.gz DWZANDWIOQQZIE-HXUWFJFHSA-N 2 1 348.556 3.354 20 0 EGADMP COCCSCCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352828808 456343939 /nfs/dbraw/zinc/34/39/39/456343939.db2.gz DWZANDWIOQQZIE-FQEVSTJZSA-N 2 1 348.556 3.354 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(F)ccc(Br)c1F ZINC000281906536 456356313 /nfs/dbraw/zinc/35/63/13/456356313.db2.gz FYKJNUIIJIAAMX-UHFFFAOYSA-N 2 1 344.203 3.412 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)C[C@H]1c1ccccc1 ZINC000340312642 456380021 /nfs/dbraw/zinc/38/00/21/456380021.db2.gz KQIKHCVAWDBFCE-UXHICEINSA-N 2 1 336.483 3.322 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)C[C@H]1c1ccccc1 ZINC000340312642 456380026 /nfs/dbraw/zinc/38/00/26/456380026.db2.gz KQIKHCVAWDBFCE-UXHICEINSA-N 2 1 336.483 3.322 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000347839371 456396221 /nfs/dbraw/zinc/39/62/21/456396221.db2.gz CAIXDUCFOFQSGR-HDICACEKSA-N 2 1 341.499 3.423 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000347839371 456396226 /nfs/dbraw/zinc/39/62/26/456396226.db2.gz CAIXDUCFOFQSGR-HDICACEKSA-N 2 1 341.499 3.423 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(COCCOC)cc2)C[C@H]1C ZINC000347866605 456415033 /nfs/dbraw/zinc/41/50/33/456415033.db2.gz PKRWOYGYYPMQBQ-XLIONFOSSA-N 2 1 334.504 3.154 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(COCCOC)cc2)C[C@H]1C ZINC000347866605 456415042 /nfs/dbraw/zinc/41/50/42/456415042.db2.gz PKRWOYGYYPMQBQ-XLIONFOSSA-N 2 1 334.504 3.154 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(COCCOC)cc2)C[C@H]1C ZINC000347866605 456415050 /nfs/dbraw/zinc/41/50/50/456415050.db2.gz PKRWOYGYYPMQBQ-XLIONFOSSA-N 2 1 334.504 3.154 20 0 EGADMP CC(C)N(C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1CCCC1 ZINC000347939578 456426936 /nfs/dbraw/zinc/42/69/36/456426936.db2.gz UFKZERHGPQPZIF-ZWKOTPCHSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)N(C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CCCC1 ZINC000347939578 456426941 /nfs/dbraw/zinc/42/69/41/456426941.db2.gz UFKZERHGPQPZIF-ZWKOTPCHSA-N 2 1 349.563 3.409 20 0 EGADMP COc1ncccc1CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340386636 456430944 /nfs/dbraw/zinc/43/09/44/456430944.db2.gz FCZQSCOCJBNAHX-OALUTQOASA-N 2 1 325.456 3.058 20 0 EGADMP COc1ncccc1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340386636 456430949 /nfs/dbraw/zinc/43/09/49/456430949.db2.gz FCZQSCOCJBNAHX-OALUTQOASA-N 2 1 325.456 3.058 20 0 EGADMP CSC1(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CCC1 ZINC000290804722 456434808 /nfs/dbraw/zinc/43/48/08/456434808.db2.gz FOWFFHVZDSZSBI-MRXNPFEDSA-N 2 1 334.529 3.283 20 0 EGADMP CSC1(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CCC1 ZINC000290804722 456434815 /nfs/dbraw/zinc/43/48/15/456434815.db2.gz FOWFFHVZDSZSBI-MRXNPFEDSA-N 2 1 334.529 3.283 20 0 EGADMP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000282191622 456438843 /nfs/dbraw/zinc/43/88/43/456438843.db2.gz NIZTUVQZVYGVKP-DZFGPLHGSA-N 2 1 346.515 3.202 20 0 EGADMP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000282191622 456438847 /nfs/dbraw/zinc/43/88/47/456438847.db2.gz NIZTUVQZVYGVKP-DZFGPLHGSA-N 2 1 346.515 3.202 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000340476054 456483091 /nfs/dbraw/zinc/48/30/91/456483091.db2.gz GPGGZDCOGBFIKV-IOJLRTSASA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H](C(=O)N(C)[C@@H](c1ncc[nH]1)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000298613071 456500612 /nfs/dbraw/zinc/50/06/12/456500612.db2.gz OJFQIIMFZZLPFW-UIBIWLFHSA-N 2 1 340.471 3.219 20 0 EGADMP Cc1c(CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cnn1C ZINC000337797902 456552739 /nfs/dbraw/zinc/55/27/39/456552739.db2.gz GUWRKODQQZJWFM-IBGZPJMESA-N 2 1 326.488 3.119 20 0 EGADMP Cc1c(C[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)cnn1C ZINC000337797902 456552746 /nfs/dbraw/zinc/55/27/46/456552746.db2.gz GUWRKODQQZJWFM-IBGZPJMESA-N 2 1 326.488 3.119 20 0 EGADMP CC[N@@H+]1CCC[C@H](CN(C)c2cc(C)cc[nH+]2)[C@@H]1c1cnn(C)c1 ZINC000337867771 456576168 /nfs/dbraw/zinc/57/61/68/456576168.db2.gz LTJBEWFGQUHKDP-VQIMIIECSA-N 2 1 327.476 3.033 20 0 EGADMP CC[N@H+]1CCC[C@H](CN(C)c2cc(C)cc[nH+]2)[C@@H]1c1cnn(C)c1 ZINC000337867771 456576173 /nfs/dbraw/zinc/57/61/73/456576173.db2.gz LTJBEWFGQUHKDP-VQIMIIECSA-N 2 1 327.476 3.033 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000310563743 456584096 /nfs/dbraw/zinc/58/40/96/456584096.db2.gz WQSGZLIRBXOVQB-IXDOHACOSA-N 2 1 339.524 3.286 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000310563743 456584104 /nfs/dbraw/zinc/58/41/04/456584104.db2.gz WQSGZLIRBXOVQB-IXDOHACOSA-N 2 1 339.524 3.286 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291280559 456589091 /nfs/dbraw/zinc/58/90/91/456589091.db2.gz YROQLEMGBXHMOY-CZUORRHYSA-N 2 1 330.394 3.012 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291280559 456589092 /nfs/dbraw/zinc/58/90/92/456589092.db2.gz YROQLEMGBXHMOY-CZUORRHYSA-N 2 1 330.394 3.012 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291280559 456589093 /nfs/dbraw/zinc/58/90/93/456589093.db2.gz YROQLEMGBXHMOY-CZUORRHYSA-N 2 1 330.394 3.012 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291280559 456589094 /nfs/dbraw/zinc/58/90/94/456589094.db2.gz YROQLEMGBXHMOY-CZUORRHYSA-N 2 1 330.394 3.012 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000299089815 456603529 /nfs/dbraw/zinc/60/35/29/456603529.db2.gz UKFUVXDLXIKVJP-XAUMDUMWSA-N 2 1 341.499 3.183 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000299089815 456603533 /nfs/dbraw/zinc/60/35/33/456603533.db2.gz UKFUVXDLXIKVJP-XAUMDUMWSA-N 2 1 341.499 3.183 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CC)CC2)c2ccccc21 ZINC000282751346 456613475 /nfs/dbraw/zinc/61/34/75/456613475.db2.gz ATBBXZWVDBWXDL-MOPGFXCFSA-N 2 1 330.472 3.242 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000282766209 456619529 /nfs/dbraw/zinc/61/95/29/456619529.db2.gz WMTFXTLXMLMYGD-INIZCTEOSA-N 2 1 337.471 3.326 20 0 EGADMP CCn1cc(CC[NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)cn1 ZINC000348320988 456620365 /nfs/dbraw/zinc/62/03/65/456620365.db2.gz QQOWGNLUGALHAI-UHFFFAOYSA-N 2 1 332.536 3.280 20 0 EGADMP Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(-c2cnn(C)c2)c1 ZINC000282800007 456629314 /nfs/dbraw/zinc/62/93/14/456629314.db2.gz NAWJLFQAYXSPCC-QGZVFWFLSA-N 2 1 326.488 3.169 20 0 EGADMP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000282800007 456629320 /nfs/dbraw/zinc/62/93/20/456629320.db2.gz NAWJLFQAYXSPCC-QGZVFWFLSA-N 2 1 326.488 3.169 20 0 EGADMP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000282800007 456629328 /nfs/dbraw/zinc/62/93/28/456629328.db2.gz NAWJLFQAYXSPCC-QGZVFWFLSA-N 2 1 326.488 3.169 20 0 EGADMP CCCC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000343471123 456644632 /nfs/dbraw/zinc/64/46/32/456644632.db2.gz DQHJYAQEWPDUQM-MSOLQXFVSA-N 2 1 345.531 3.379 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000282875177 456652698 /nfs/dbraw/zinc/65/26/98/456652698.db2.gz WCWGSKWTHGADAB-SFHVURJKSA-N 2 1 341.503 3.048 20 0 EGADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccccc2Cl)n1 ZINC000343488266 456654627 /nfs/dbraw/zinc/65/46/27/456654627.db2.gz OALDPDXJCYQKTF-JKSUJKDBSA-N 2 1 344.890 3.457 20 0 EGADMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccccc2Cl)n1 ZINC000343488266 456654631 /nfs/dbraw/zinc/65/46/31/456654631.db2.gz OALDPDXJCYQKTF-JKSUJKDBSA-N 2 1 344.890 3.457 20 0 EGADMP COC1(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CCOCC1 ZINC000277021801 456656181 /nfs/dbraw/zinc/65/61/81/456656181.db2.gz MZUUOGFMTQOROY-GOSISDBHSA-N 2 1 346.515 3.346 20 0 EGADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CS1 ZINC000277099460 456681375 /nfs/dbraw/zinc/68/13/75/456681375.db2.gz GXSCYLSKJNDARX-OALUTQOASA-N 2 1 334.529 3.139 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2cc[nH+]c(N(C)C)c2)cc1 ZINC000338230268 456719606 /nfs/dbraw/zinc/71/96/06/456719606.db2.gz VPBRWUBGPKYEQI-UHFFFAOYSA-N 2 1 326.444 3.242 20 0 EGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCO[C@H]3CCCCO3)C2)CC1 ZINC000338238608 456725704 /nfs/dbraw/zinc/72/57/04/456725704.db2.gz UBNRENRRSJZTOO-PMACEKPBSA-N 2 1 338.536 3.364 20 0 EGADMP CC[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1(C(=O)OC)CCC1 ZINC000353537693 456742399 /nfs/dbraw/zinc/74/23/99/456742399.db2.gz QFRAVLGIUHCFFK-IBGZPJMESA-N 2 1 344.499 3.146 20 0 EGADMP CC[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1(C(=O)OC)CCC1 ZINC000353537693 456742405 /nfs/dbraw/zinc/74/24/05/456742405.db2.gz QFRAVLGIUHCFFK-IBGZPJMESA-N 2 1 344.499 3.146 20 0 EGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)C1(C(=O)OC)CCC1 ZINC000353538734 456744053 /nfs/dbraw/zinc/74/40/53/456744053.db2.gz UZDZWCWIQFGONT-GOSISDBHSA-N 2 1 332.488 3.350 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)cc1)C(C)C ZINC000299621786 456747094 /nfs/dbraw/zinc/74/70/94/456747094.db2.gz DWYLWHJGEBGZLY-WOJBJXKFSA-N 2 1 343.515 3.274 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1)C(C)C ZINC000299621786 456747099 /nfs/dbraw/zinc/74/70/99/456747099.db2.gz DWYLWHJGEBGZLY-WOJBJXKFSA-N 2 1 343.515 3.274 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1)C(C)C ZINC000299621786 456747108 /nfs/dbraw/zinc/74/71/08/456747108.db2.gz DWYLWHJGEBGZLY-WOJBJXKFSA-N 2 1 343.515 3.274 20 0 EGADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+](C)CCCN(C)Cc1ccco1 ZINC000353559281 456759154 /nfs/dbraw/zinc/75/91/54/456759154.db2.gz ZZVJASXHRAOFRQ-QGZVFWFLSA-N 2 1 349.519 3.213 20 0 EGADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000353559281 456759158 /nfs/dbraw/zinc/75/91/58/456759158.db2.gz ZZVJASXHRAOFRQ-QGZVFWFLSA-N 2 1 349.519 3.213 20 0 EGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CCCO[C@@H]3CCCCO3)C1)CCCC2 ZINC000338325412 456773856 /nfs/dbraw/zinc/77/38/56/456773856.db2.gz WKAKEDBDKRZUNA-YLJYHZDGSA-N 2 1 347.503 3.250 20 0 EGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CCCO[C@@H]3CCCCO3)C1)CCCC2 ZINC000338325412 456773861 /nfs/dbraw/zinc/77/38/61/456773861.db2.gz WKAKEDBDKRZUNA-YLJYHZDGSA-N 2 1 347.503 3.250 20 0 EGADMP CC[C@@H]([NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C1CCOCC1 ZINC000344201243 456806209 /nfs/dbraw/zinc/80/62/09/456806209.db2.gz WSRQDNHUDWMMDD-OAHLLOKOSA-N 2 1 337.533 3.204 20 0 EGADMP CC[C@@H]([NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C1CCOCC1 ZINC000344201243 456806215 /nfs/dbraw/zinc/80/62/15/456806215.db2.gz WSRQDNHUDWMMDD-OAHLLOKOSA-N 2 1 337.533 3.204 20 0 EGADMP Cc1n[nH]cc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000353616515 456806567 /nfs/dbraw/zinc/80/65/67/456806567.db2.gz AVSSHVYQKVNQPK-CEWLAPEOSA-N 2 1 338.499 3.499 20 0 EGADMP CCOc1cc2[nH+]ccc(N3CCC[N@@H+](C)CC3)c2cc1OCC ZINC000301234548 456829446 /nfs/dbraw/zinc/82/94/46/456829446.db2.gz LCHBUNQBBXBODP-UHFFFAOYSA-N 2 1 329.444 3.174 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC[C@@H]2CCC[NH2+]2)cc1 ZINC000292196520 456881961 /nfs/dbraw/zinc/88/19/61/456881961.db2.gz XWVFTLQZQRTIQA-XLIONFOSSA-N 2 1 343.515 3.209 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)Cc2cnc3c(cnn3C(C)C)c2)C[C@@H]1C ZINC000353751980 456890310 /nfs/dbraw/zinc/89/03/10/456890310.db2.gz QYCKBDXBIKYCEM-YJBOKZPZSA-N 2 1 329.492 3.317 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc3c(cnn3C(C)C)c2)C[C@@H]1C ZINC000353751980 456890313 /nfs/dbraw/zinc/89/03/13/456890313.db2.gz QYCKBDXBIKYCEM-YJBOKZPZSA-N 2 1 329.492 3.317 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc3c(cnn3C(C)C)c2)C[C@@H]1C ZINC000353751980 456890319 /nfs/dbraw/zinc/89/03/19/456890319.db2.gz QYCKBDXBIKYCEM-YJBOKZPZSA-N 2 1 329.492 3.317 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000345000744 456892620 /nfs/dbraw/zinc/89/26/20/456892620.db2.gz JPCMTZBDIMLYIQ-BZSNNMDCSA-N 2 1 346.519 3.260 20 0 EGADMP CCc1ccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000339015474 456902261 /nfs/dbraw/zinc/90/22/61/456902261.db2.gz XKUXEIRROYBBHB-HDICACEKSA-N 2 1 345.531 3.355 20 0 EGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000339044909 456913972 /nfs/dbraw/zinc/91/39/72/456913972.db2.gz QAQQRUFPEFSWTA-YSIASYRMSA-N 2 1 331.504 3.197 20 0 EGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000339044909 456913976 /nfs/dbraw/zinc/91/39/76/456913976.db2.gz QAQQRUFPEFSWTA-YSIASYRMSA-N 2 1 331.504 3.197 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)CCN1C1CC[NH+](C)CC1 ZINC000349301417 456936314 /nfs/dbraw/zinc/93/63/14/456936314.db2.gz UXKHOFKTZWXVGN-OAHLLOKOSA-N 2 1 345.462 3.172 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)CCN1C1CC[NH+](C)CC1 ZINC000349301417 456936318 /nfs/dbraw/zinc/93/63/18/456936318.db2.gz UXKHOFKTZWXVGN-OAHLLOKOSA-N 2 1 345.462 3.172 20 0 EGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cn(C)nc1-c1ccccc1 ZINC000349372442 456955558 /nfs/dbraw/zinc/95/55/58/456955558.db2.gz UTWAFGSRKROGKU-UHFFFAOYSA-N 2 1 326.488 3.395 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cn(C)nc1-c1ccccc1 ZINC000349372442 456955560 /nfs/dbraw/zinc/95/55/60/456955560.db2.gz UTWAFGSRKROGKU-UHFFFAOYSA-N 2 1 326.488 3.395 20 0 EGADMP CC[N@@H+](CCOc1ccc(Br)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000345196109 456963699 /nfs/dbraw/zinc/96/36/99/456963699.db2.gz DCYHIYFXNBDKHD-OAHLLOKOSA-N 2 1 341.293 3.292 20 0 EGADMP CCOC(=O)c1coc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000353933851 456970898 /nfs/dbraw/zinc/97/08/98/456970898.db2.gz WRKDDDTXNSYWOP-IYBDPMFKSA-N 2 1 336.476 3.304 20 0 EGADMP Cc1cc(Cl)cc(C)c1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000349544245 456984289 /nfs/dbraw/zinc/98/42/89/456984289.db2.gz VHELOFFCYZBJKO-UHFFFAOYSA-N 2 1 335.923 3.170 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000353986163 456989718 /nfs/dbraw/zinc/98/97/18/456989718.db2.gz HGCWZTGONNGAAP-PKOBYXMFSA-N 2 1 333.520 3.152 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000353986163 456989723 /nfs/dbraw/zinc/98/97/23/456989723.db2.gz HGCWZTGONNGAAP-PKOBYXMFSA-N 2 1 333.520 3.152 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)[NH+](CC)C[C@@H]2C)cc1 ZINC000345931493 457007187 /nfs/dbraw/zinc/00/71/87/457007187.db2.gz WJAVQYPTRULLPM-ROUUACIJSA-N 2 1 345.531 3.473 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)cc1 ZINC000345931493 457007190 /nfs/dbraw/zinc/00/71/90/457007190.db2.gz WJAVQYPTRULLPM-ROUUACIJSA-N 2 1 345.531 3.473 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)cc1 ZINC000345931493 457007205 /nfs/dbraw/zinc/00/72/05/457007205.db2.gz WJAVQYPTRULLPM-ROUUACIJSA-N 2 1 345.531 3.473 20 0 EGADMP Cc1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)nc1 ZINC000354017036 457012682 /nfs/dbraw/zinc/01/26/82/457012682.db2.gz GLDWNLCFQQJGOX-UHFFFAOYSA-N 2 1 344.547 3.018 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000362663746 457033954 /nfs/dbraw/zinc/03/39/54/457033954.db2.gz MANJJPZBCWXFOK-SCTDSRPQSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000354078289 457047787 /nfs/dbraw/zinc/04/77/87/457047787.db2.gz PQPRPJOPXVNKLF-LJQANCHMSA-N 2 1 345.462 3.307 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCc3ccccc32)[C@H](C)C1 ZINC000346603960 457073300 /nfs/dbraw/zinc/07/33/00/457073300.db2.gz IURMKRMZRYQQAY-QFUCXCTJSA-N 2 1 330.516 3.443 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2cc(N3CCCCC3)ncn2)C1 ZINC000359468364 457086322 /nfs/dbraw/zinc/08/63/22/457086322.db2.gz VNVOYUMWXNYULN-KSZLIROESA-N 2 1 343.519 3.309 20 0 EGADMP CC(C)OCC[C@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000349881063 457092122 /nfs/dbraw/zinc/09/21/22/457092122.db2.gz LHVWOZNCEPWKEF-QUCCMNQESA-N 2 1 340.552 3.139 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000354166823 457103749 /nfs/dbraw/zinc/10/37/49/457103749.db2.gz NAVLXGRYXPLUHQ-NRFANRHFSA-N 2 1 338.499 3.407 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000354166823 457103754 /nfs/dbraw/zinc/10/37/54/457103754.db2.gz NAVLXGRYXPLUHQ-NRFANRHFSA-N 2 1 338.499 3.407 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354166823 457103765 /nfs/dbraw/zinc/10/37/65/457103765.db2.gz NAVLXGRYXPLUHQ-NRFANRHFSA-N 2 1 338.499 3.407 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354166823 457103770 /nfs/dbraw/zinc/10/37/70/457103770.db2.gz NAVLXGRYXPLUHQ-NRFANRHFSA-N 2 1 338.499 3.407 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342112321 457114210 /nfs/dbraw/zinc/11/42/10/457114210.db2.gz VPHYIQTUXTVTMA-CWLKWCNXSA-N 2 1 329.488 3.196 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342112321 457114214 /nfs/dbraw/zinc/11/42/14/457114214.db2.gz VPHYIQTUXTVTMA-CWLKWCNXSA-N 2 1 329.488 3.196 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cc1 ZINC000339431992 457115157 /nfs/dbraw/zinc/11/51/57/457115157.db2.gz KPXDUFBVMAQMDE-IBGZPJMESA-N 2 1 329.488 3.484 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@H]1C ZINC000354219768 457137685 /nfs/dbraw/zinc/13/76/85/457137685.db2.gz DICVXNTWQPQUMK-MSOLQXFVSA-N 2 1 331.504 3.355 20 0 EGADMP c1cn2c([nH+]1)C[C@@H](c1nc(-c3cccc(C[NH+]4CCCC4)c3)no1)CC2 ZINC000350023862 457147143 /nfs/dbraw/zinc/14/71/43/457147143.db2.gz NCXOHMGZYYJNFO-KRWDZBQOSA-N 2 1 349.438 3.259 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000356766044 457158073 /nfs/dbraw/zinc/15/80/73/457158073.db2.gz AKJWLLSFHFBJAG-KRWDZBQOSA-N 2 1 331.504 3.131 20 0 EGADMP CC[N@@H+](CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1)CC1CC1 ZINC000356894877 457203746 /nfs/dbraw/zinc/20/37/46/457203746.db2.gz OCGWLFQRTCRCNG-QZTJIDSGSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C)CC1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000363096903 457221642 /nfs/dbraw/zinc/22/16/42/457221642.db2.gz HIVKZMACTJPRMT-UHFFFAOYSA-N 2 1 334.851 3.164 20 0 EGADMP C[C@@H]1CSC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000331767217 457247118 /nfs/dbraw/zinc/24/71/18/457247118.db2.gz HANAIXIMUDZWJP-FHLIZLRMSA-N 2 1 347.528 3.275 20 0 EGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000360168232 457285804 /nfs/dbraw/zinc/28/58/04/457285804.db2.gz JUPOKHUJXCHCOJ-UHFFFAOYSA-N 2 1 326.488 3.392 20 0 EGADMP C[C@@H](C1CCC1)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000357030976 457287586 /nfs/dbraw/zinc/28/75/86/457287586.db2.gz YMNLUIGGOHJMCA-KRWDZBQOSA-N 2 1 343.515 3.019 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OCC(C)C ZINC000357109424 457327754 /nfs/dbraw/zinc/32/77/54/457327754.db2.gz VWSPMWBYNRXKKK-ZWKOTPCHSA-N 2 1 332.488 3.161 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OCC(C)C ZINC000357109424 457327762 /nfs/dbraw/zinc/32/77/62/457327762.db2.gz VWSPMWBYNRXKKK-ZWKOTPCHSA-N 2 1 332.488 3.161 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347344516 457364900 /nfs/dbraw/zinc/36/49/00/457364900.db2.gz PFIDXAOBQKSDKS-ROUUACIJSA-N 2 1 345.512 3.472 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347344516 457364903 /nfs/dbraw/zinc/36/49/03/457364903.db2.gz PFIDXAOBQKSDKS-ROUUACIJSA-N 2 1 345.512 3.472 20 0 EGADMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000355364949 457365219 /nfs/dbraw/zinc/36/52/19/457365219.db2.gz FEPISVYXFQHVTA-ZBFHGGJFSA-N 2 1 346.500 3.183 20 0 EGADMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000355364949 457365225 /nfs/dbraw/zinc/36/52/25/457365225.db2.gz FEPISVYXFQHVTA-ZBFHGGJFSA-N 2 1 346.500 3.183 20 0 EGADMP COCCSCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352440515 457368355 /nfs/dbraw/zinc/36/83/55/457368355.db2.gz OVHCIBFZRXGBEW-VQTJNVASSA-N 2 1 348.556 3.210 20 0 EGADMP COCCSCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352440515 457368359 /nfs/dbraw/zinc/36/83/59/457368359.db2.gz OVHCIBFZRXGBEW-VQTJNVASSA-N 2 1 348.556 3.210 20 0 EGADMP COCCSCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352440515 457368363 /nfs/dbraw/zinc/36/83/63/457368363.db2.gz OVHCIBFZRXGBEW-VQTJNVASSA-N 2 1 348.556 3.210 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379674385 457417875 /nfs/dbraw/zinc/41/78/75/457417875.db2.gz UGRLTJVDIJIJHU-IHPCNDPISA-N 2 1 345.531 3.167 20 0 EGADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352506863 457425133 /nfs/dbraw/zinc/42/51/33/457425133.db2.gz AQZUWWCSXDEKDT-KRWDZBQOSA-N 2 1 331.504 3.047 20 0 EGADMP Fc1ccccc1-c1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000352527045 457439667 /nfs/dbraw/zinc/43/96/67/457439667.db2.gz VPWNVJVMYBMASZ-OAHLLOKOSA-N 2 1 345.487 3.034 20 0 EGADMP c1ccc(C[N@H+]2CCCO[C@H](CNc3cc[nH+]c4ccccc34)C2)cc1 ZINC000390857638 457447476 /nfs/dbraw/zinc/44/74/76/457447476.db2.gz LFNOYISQTPLBSI-LJQANCHMSA-N 2 1 347.462 3.360 20 0 EGADMP Cc1cccc(N2CCC([NH2+][C@H](C)Cc3ccc(O)cc3)CC2)[nH+]1 ZINC000352542927 457453219 /nfs/dbraw/zinc/45/32/19/457453219.db2.gz ABOJIRFOVPRAFX-MRXNPFEDSA-N 2 1 325.456 3.285 20 0 EGADMP CC(C)n1ncc2cc(C[N@@H+](CCC[NH3+])CC3CCCC3)cnc21 ZINC000352546744 457456604 /nfs/dbraw/zinc/45/66/04/457456604.db2.gz ZSQJMRCZCZENRI-UHFFFAOYSA-N 2 1 329.492 3.353 20 0 EGADMP CC[C@@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000356172392 457505495 /nfs/dbraw/zinc/50/54/95/457505495.db2.gz NLIBWAHHEWARIP-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP Cc1nccn1CCC[N@@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000347579618 457522288 /nfs/dbraw/zinc/52/22/88/457522288.db2.gz JZTNOQPVFGQMQX-ZWKOTPCHSA-N 2 1 326.488 3.176 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400975796 457522650 /nfs/dbraw/zinc/52/26/50/457522650.db2.gz RPXWUJNGMXSXOY-MHTWAQMVSA-N 3 1 341.543 3.265 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400975796 457522654 /nfs/dbraw/zinc/52/26/54/457522654.db2.gz RPXWUJNGMXSXOY-MHTWAQMVSA-N 3 1 341.543 3.265 20 0 EGADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000374255486 457548032 /nfs/dbraw/zinc/54/80/32/457548032.db2.gz RDCUUFADIQBZMU-TZIWHRDSSA-N 2 1 329.532 3.070 20 0 EGADMP COc1ccc2c(c1)CCC[C@H]2C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352725027 457561770 /nfs/dbraw/zinc/56/17/70/457561770.db2.gz OSQHEYABMFOVPH-HNNXBMFYSA-N 2 1 345.512 3.423 20 0 EGADMP CCCC[N@H+](C)CC1CCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347633884 457563855 /nfs/dbraw/zinc/56/38/55/457563855.db2.gz IDYXILAEAACVFB-UHFFFAOYSA-N 2 1 338.565 3.149 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347633884 457563865 /nfs/dbraw/zinc/56/38/65/457563865.db2.gz IDYXILAEAACVFB-UHFFFAOYSA-N 2 1 338.565 3.149 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347638065 457567140 /nfs/dbraw/zinc/56/71/40/457567140.db2.gz MLCRUDVESJFUDQ-XHSDSOJGSA-N 2 1 336.549 3.042 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347638065 457567147 /nfs/dbraw/zinc/56/71/47/457567147.db2.gz MLCRUDVESJFUDQ-XHSDSOJGSA-N 2 1 336.549 3.042 20 0 EGADMP CCC1(CC)[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H](C)[C@H]1OC ZINC000352737487 457570304 /nfs/dbraw/zinc/57/03/04/457570304.db2.gz PDIGBFMGRWWDDM-DAXOMENPSA-N 2 1 325.522 3.134 20 0 EGADMP CCc1ccc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cn1 ZINC000352752313 457582289 /nfs/dbraw/zinc/58/22/89/457582289.db2.gz XXDDHVRYUPDNOJ-UHFFFAOYSA-N 2 1 342.487 3.251 20 0 EGADMP CCn1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000364444139 457605588 /nfs/dbraw/zinc/60/55/88/457605588.db2.gz VJIJXLJTTJKTIH-UHFFFAOYSA-N 2 1 338.499 3.391 20 0 EGADMP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000361173108 457628618 /nfs/dbraw/zinc/62/86/18/457628618.db2.gz AHXIBOVJOGWHPQ-AZUAARDMSA-N 2 1 345.531 3.259 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(OCC2CC2)cc1 ZINC000364718295 457679571 /nfs/dbraw/zinc/67/95/71/457679571.db2.gz NTHKCIUYPJKJQT-GIVPXCGWSA-N 2 1 344.499 3.159 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(OCC2CC2)cc1 ZINC000364718295 457679575 /nfs/dbraw/zinc/67/95/75/457679575.db2.gz NTHKCIUYPJKJQT-GIVPXCGWSA-N 2 1 344.499 3.159 20 0 EGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(OCc4ccc(F)cc4)c3)C[C@@H]2C1 ZINC000425964266 457748074 /nfs/dbraw/zinc/74/80/74/457748074.db2.gz PGRULYLHLDQIMB-KDURUIRLSA-N 2 1 340.442 3.398 20 0 EGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(OCc4ccc(F)cc4)c3)C[C@@H]2C1 ZINC000425964266 457748081 /nfs/dbraw/zinc/74/80/81/457748081.db2.gz PGRULYLHLDQIMB-KDURUIRLSA-N 2 1 340.442 3.398 20 0 EGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(OCc4ccc(F)cc4)c3)C[C@@H]2C1 ZINC000425964266 457748085 /nfs/dbraw/zinc/74/80/85/457748085.db2.gz PGRULYLHLDQIMB-KDURUIRLSA-N 2 1 340.442 3.398 20 0 EGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(OCc4ccc(F)cc4)c3)C[C@@H]2C1 ZINC000425964266 457748089 /nfs/dbraw/zinc/74/80/89/457748089.db2.gz PGRULYLHLDQIMB-KDURUIRLSA-N 2 1 340.442 3.398 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000361611553 457804198 /nfs/dbraw/zinc/80/41/98/457804198.db2.gz SOODPTZAVDRXEF-MJGOQNOKSA-N 2 1 343.515 3.237 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000371295041 457852673 /nfs/dbraw/zinc/85/26/73/457852673.db2.gz OIWIUACVOGXNFK-BRWVUGGUSA-N 2 1 342.405 3.389 20 0 EGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000358253812 457888942 /nfs/dbraw/zinc/88/89/42/457888942.db2.gz PCQLGPWDBQRJBF-SWLSCSKDSA-N 2 1 348.434 3.058 20 0 EGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000358253812 457888944 /nfs/dbraw/zinc/88/89/44/457888944.db2.gz PCQLGPWDBQRJBF-SWLSCSKDSA-N 2 1 348.434 3.058 20 0 EGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358254712 457891184 /nfs/dbraw/zinc/89/11/84/457891184.db2.gz PNHHKYBFZSMQBZ-KUHUBIRLSA-N 2 1 345.512 3.144 20 0 EGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358254712 457891188 /nfs/dbraw/zinc/89/11/88/457891188.db2.gz PNHHKYBFZSMQBZ-KUHUBIRLSA-N 2 1 345.512 3.144 20 0 EGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358254712 457891195 /nfs/dbraw/zinc/89/11/95/457891195.db2.gz PNHHKYBFZSMQBZ-KUHUBIRLSA-N 2 1 345.512 3.144 20 0 EGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358254712 457891200 /nfs/dbraw/zinc/89/12/00/457891200.db2.gz PNHHKYBFZSMQBZ-KUHUBIRLSA-N 2 1 345.512 3.144 20 0 EGADMP OCC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ccco1 ZINC000411549064 457917402 /nfs/dbraw/zinc/91/74/02/457917402.db2.gz ZMJKGPGZWLMUGT-IBGZPJMESA-N 2 1 328.456 3.479 20 0 EGADMP CCc1nc2c(s1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@H]3O)CC1)CCC2 ZINC000358299025 457918839 /nfs/dbraw/zinc/91/88/39/457918839.db2.gz IYAYXCIWWCKDHG-HYVNUMGLSA-N 2 1 349.544 3.050 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCO[C@H]2CCCCO2)CC1)CC1CC1 ZINC000444677107 457935221 /nfs/dbraw/zinc/93/52/21/457935221.db2.gz VMGYGXOATMLYIT-FQEVSTJZSA-N 2 1 338.536 3.364 20 0 EGADMP O[C@]1(CN[C@@H]2CCc3c2cccc3F)CC[N@H+](Cc2ccccc2)C1 ZINC000361891504 457935356 /nfs/dbraw/zinc/93/53/56/457935356.db2.gz HZVDLXABAKBFEH-RTWAWAEBSA-N 2 1 340.442 3.040 20 0 EGADMP CO[C@@H]1CC[NH+](CC[C@@H](C)CC[N@@H+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000411689630 457951328 /nfs/dbraw/zinc/95/13/28/457951328.db2.gz DSXFTJYQHVCFDX-WAPOTWQKSA-N 2 1 340.552 3.401 20 0 EGADMP CO[C@@H]1CC[N@@H+](CC[C@@H](C)CC[NH+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000411689630 457951334 /nfs/dbraw/zinc/95/13/34/457951334.db2.gz DSXFTJYQHVCFDX-WAPOTWQKSA-N 2 1 340.552 3.401 20 0 EGADMP CO[C@@H]1CC[N@H+](CC[C@@H](C)CC[NH+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000411689630 457951342 /nfs/dbraw/zinc/95/13/42/457951342.db2.gz DSXFTJYQHVCFDX-WAPOTWQKSA-N 2 1 340.552 3.401 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2OC)[C@@H](C)C1 ZINC000361983315 457991196 /nfs/dbraw/zinc/99/11/96/457991196.db2.gz UFZGFCJUSPXJPX-PKOBYXMFSA-N 2 1 334.504 3.230 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2OC)[C@@H](C)C1 ZINC000361983315 457991203 /nfs/dbraw/zinc/99/12/03/457991203.db2.gz UFZGFCJUSPXJPX-PKOBYXMFSA-N 2 1 334.504 3.230 20 0 EGADMP COC(=O)c1coc([C@@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000375663253 458010934 /nfs/dbraw/zinc/01/09/34/458010934.db2.gz JFAQIVIRZGRFLD-WBVHZDCISA-N 2 1 342.439 3.239 20 0 EGADMP CN(Cc1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)CC1 ZINC000434644109 458027328 /nfs/dbraw/zinc/02/73/28/458027328.db2.gz TVTGUNAADMBYKL-HXUWFJFHSA-N 2 1 349.482 3.444 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000434644109 458027334 /nfs/dbraw/zinc/02/73/34/458027334.db2.gz TVTGUNAADMBYKL-HXUWFJFHSA-N 2 1 349.482 3.444 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000434644109 458027338 /nfs/dbraw/zinc/02/73/38/458027338.db2.gz TVTGUNAADMBYKL-HXUWFJFHSA-N 2 1 349.482 3.444 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc3c[nH]nc32)CC1 ZINC000434644109 458027345 /nfs/dbraw/zinc/02/73/45/458027345.db2.gz TVTGUNAADMBYKL-HXUWFJFHSA-N 2 1 349.482 3.444 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)CC1 ZINC000434644109 458027350 /nfs/dbraw/zinc/02/73/50/458027350.db2.gz TVTGUNAADMBYKL-HXUWFJFHSA-N 2 1 349.482 3.444 20 0 EGADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccccc1-c1ccccc1 ZINC000358522253 458055324 /nfs/dbraw/zinc/05/53/24/458055324.db2.gz ZUBAYUVIXXJGLI-UHFFFAOYSA-N 2 1 349.478 3.368 20 0 EGADMP CC[N@@H+](C)CCN[C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000428226322 458101097 /nfs/dbraw/zinc/10/10/97/458101097.db2.gz GXCDFSGHWNBELW-PCCBWWKXSA-N 2 1 329.532 3.219 20 0 EGADMP CC[NH+](C)CCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000428226322 458101100 /nfs/dbraw/zinc/10/11/00/458101100.db2.gz GXCDFSGHWNBELW-PCCBWWKXSA-N 2 1 329.532 3.219 20 0 EGADMP CC[NH+](C)CCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428226322 458101107 /nfs/dbraw/zinc/10/11/07/458101107.db2.gz GXCDFSGHWNBELW-PCCBWWKXSA-N 2 1 329.532 3.219 20 0 EGADMP CCN(C)CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000428226322 458101113 /nfs/dbraw/zinc/10/11/13/458101113.db2.gz GXCDFSGHWNBELW-PCCBWWKXSA-N 2 1 329.532 3.219 20 0 EGADMP CCN(C)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428226322 458101118 /nfs/dbraw/zinc/10/11/18/458101118.db2.gz GXCDFSGHWNBELW-PCCBWWKXSA-N 2 1 329.532 3.219 20 0 EGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH+]2CCC([NH3+])CC2)c1 ZINC000435374035 458124447 /nfs/dbraw/zinc/12/44/47/458124447.db2.gz PKJYBGZSPWQQBQ-UHFFFAOYSA-N 2 1 342.487 3.237 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000435378776 458129116 /nfs/dbraw/zinc/12/91/16/458129116.db2.gz GJTZNQHSBZMBSA-BBRMVZONSA-N 2 1 346.906 3.371 20 0 EGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000435381935 458131065 /nfs/dbraw/zinc/13/10/65/458131065.db2.gz WTBUQKSZWXIRDW-HNNXBMFYSA-N 2 1 342.487 3.094 20 0 EGADMP CC[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435624326 458176991 /nfs/dbraw/zinc/17/69/91/458176991.db2.gz JAPJKSWFWSJPAZ-QUCCMNQESA-N 2 1 343.515 3.034 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000369371380 458192646 /nfs/dbraw/zinc/19/26/46/458192646.db2.gz VLPDTNLLUCSFKB-UHFFFAOYSA-N 2 1 341.499 3.289 20 0 EGADMP C[C@@H]1CN(c2ccccc2C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC000459375035 458350325 /nfs/dbraw/zinc/35/03/25/458350325.db2.gz JIJLLXKFQYYFLQ-RTBURBONSA-N 2 1 345.531 3.266 20 0 EGADMP C[C@@H]1CN(c2ccccc2C[NH2+]CCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC000459375035 458350327 /nfs/dbraw/zinc/35/03/27/458350327.db2.gz JIJLLXKFQYYFLQ-RTBURBONSA-N 2 1 345.531 3.266 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1Sc1ccccc1 ZINC000459415973 458363710 /nfs/dbraw/zinc/36/37/10/458363710.db2.gz BUAUEWXLUOSRJO-BSWVEEBUSA-N 2 1 334.529 3.397 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1Sc1ccccc1 ZINC000459415973 458363715 /nfs/dbraw/zinc/36/37/15/458363715.db2.gz BUAUEWXLUOSRJO-BSWVEEBUSA-N 2 1 334.529 3.397 20 0 EGADMP C[C@@H]1C[C@@H](NCc2cnc(C3CC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000459418570 458365239 /nfs/dbraw/zinc/36/52/39/458365239.db2.gz DBKIWIVURBCFCI-UZLBHIALSA-N 2 1 336.483 3.497 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(C3CC3)nc2)CCN1Cc1ccccc1 ZINC000459418570 458365242 /nfs/dbraw/zinc/36/52/42/458365242.db2.gz DBKIWIVURBCFCI-UZLBHIALSA-N 2 1 336.483 3.497 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCn2cc(Cl)cn2)CC1)CC1CC1 ZINC000459468766 458382756 /nfs/dbraw/zinc/38/27/56/458382756.db2.gz LQBUHFSTQIAIOS-UHFFFAOYSA-N 2 1 338.927 3.371 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459562510 458411725 /nfs/dbraw/zinc/41/17/25/458411725.db2.gz QFNOJJXRBWSQGQ-GOSISDBHSA-N 2 1 333.520 3.075 20 0 EGADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423453358 458435892 /nfs/dbraw/zinc/43/58/92/458435892.db2.gz KNCIFAUKDWCSQH-BVOGOJNSSA-N 2 1 329.532 3.394 20 0 EGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000373296499 458455214 /nfs/dbraw/zinc/45/52/14/458455214.db2.gz MWCVMDSLIZJVTH-HNNXBMFYSA-N 2 1 336.549 3.212 20 0 EGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000373296499 458455221 /nfs/dbraw/zinc/45/52/21/458455221.db2.gz MWCVMDSLIZJVTH-HNNXBMFYSA-N 2 1 336.549 3.212 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)cc1 ZINC000423603990 458462360 /nfs/dbraw/zinc/46/23/60/458462360.db2.gz GPWHHWZXPMKOKN-FZKQIMNGSA-N 2 1 343.858 3.146 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000459742436 458464354 /nfs/dbraw/zinc/46/43/54/458464354.db2.gz WENQITLESJNQFF-GOSISDBHSA-N 2 1 339.483 3.482 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000459739466 458464563 /nfs/dbraw/zinc/46/45/63/458464563.db2.gz SPJBESJBEIYXJM-OAHLLOKOSA-N 2 1 330.394 3.449 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H]1C1CCCC1 ZINC000459743641 458465748 /nfs/dbraw/zinc/46/57/48/458465748.db2.gz DAKCCDMHCYPRDV-VQTJNVASSA-N 2 1 325.456 3.245 20 0 EGADMP C[C@@H](C(=O)N[C@H](CCC[NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000423968781 458524915 /nfs/dbraw/zinc/52/49/15/458524915.db2.gz KRFMEAGJYKHFRH-FXAWDEMLSA-N 2 1 339.483 3.103 20 0 EGADMP C[C@@H](CCc1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468554784 458527241 /nfs/dbraw/zinc/52/72/41/458527241.db2.gz PQPZBPGCSYVPTP-SIKLNZKXSA-N 2 1 338.495 3.234 20 0 EGADMP C[C@@H](CCc1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468554784 458527247 /nfs/dbraw/zinc/52/72/47/458527247.db2.gz PQPZBPGCSYVPTP-SIKLNZKXSA-N 2 1 338.495 3.234 20 0 EGADMP CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1CC)C1CC[NH2+]CC1 ZINC000431092784 458528213 /nfs/dbraw/zinc/52/82/13/458528213.db2.gz FELDCTXUNLYOLS-KRWDZBQOSA-N 2 1 349.544 3.048 20 0 EGADMP CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1CC)C1CC[NH2+]CC1 ZINC000431092784 458528215 /nfs/dbraw/zinc/52/82/15/458528215.db2.gz FELDCTXUNLYOLS-KRWDZBQOSA-N 2 1 349.544 3.048 20 0 EGADMP [NH3+][C@H](CCC(=O)N1CC[NH2+]Cc2ccccc21)CC1CCCCC1 ZINC000424075545 458552223 /nfs/dbraw/zinc/55/22/23/458552223.db2.gz JMZDVJDZEXMIQO-GOSISDBHSA-N 2 1 329.488 3.201 20 0 EGADMP CC[C@H](C(=O)Nc1cc(C)cc(C[NH3+])c1)[N@@H+](C)Cc1ccccc1 ZINC000424252102 458592701 /nfs/dbraw/zinc/59/27/01/458592701.db2.gz YNDBAUUIKOQINI-LJQANCHMSA-N 2 1 325.456 3.303 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(-c3ccc(F)cc3)no1)CC[NH2+]CC2 ZINC000424285117 458604264 /nfs/dbraw/zinc/60/42/64/458604264.db2.gz FDPRUNHBTNUBRE-CQSZACIVSA-N 2 1 329.419 3.445 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1csc(Nc3ccccc3)n1)CC[NH2+]CC2 ZINC000424285137 458604545 /nfs/dbraw/zinc/60/45/45/458604545.db2.gz FFCUPHZPGBBQQJ-OAHLLOKOSA-N 2 1 342.512 3.273 20 0 EGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000424296585 458608294 /nfs/dbraw/zinc/60/82/94/458608294.db2.gz RYYKWMAQZACGSO-HUUCEWRRSA-N 2 1 334.261 3.357 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1C ZINC000438821459 458616357 /nfs/dbraw/zinc/61/63/57/458616357.db2.gz SCFPTOPQZUCECF-DYVFJYSZSA-N 2 1 339.430 3.098 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1C ZINC000438821459 458616362 /nfs/dbraw/zinc/61/63/62/458616362.db2.gz SCFPTOPQZUCECF-DYVFJYSZSA-N 2 1 339.430 3.098 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1C ZINC000438821459 458616366 /nfs/dbraw/zinc/61/63/66/458616366.db2.gz SCFPTOPQZUCECF-DYVFJYSZSA-N 2 1 339.430 3.098 20 0 EGADMP C[NH+](C)CCCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000431818521 458629975 /nfs/dbraw/zinc/62/99/75/458629975.db2.gz QYPMJIMHNZHMBY-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CCOc1ccc(Br)cc1)CC[C@H]1CCC[N@H+]1C ZINC000502679789 458664880 /nfs/dbraw/zinc/66/48/80/458664880.db2.gz ALLHQOGKBUJIRP-OAHLLOKOSA-N 2 1 341.293 3.244 20 0 EGADMP C[N@H+](CCOc1ccc(Br)cc1)CC[C@H]1CCC[NH+]1C ZINC000502679789 458664886 /nfs/dbraw/zinc/66/48/86/458664886.db2.gz ALLHQOGKBUJIRP-OAHLLOKOSA-N 2 1 341.293 3.244 20 0 EGADMP C[N@@H+](CCOc1ccc(Br)cc1)CC[C@H]1CCC[NH+]1C ZINC000502679789 458664893 /nfs/dbraw/zinc/66/48/93/458664893.db2.gz ALLHQOGKBUJIRP-OAHLLOKOSA-N 2 1 341.293 3.244 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000494436764 458676597 /nfs/dbraw/zinc/67/65/97/458676597.db2.gz MAZZEXWABWEHGU-YOEHRIQHSA-N 2 1 329.419 3.443 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000494436764 458676600 /nfs/dbraw/zinc/67/66/00/458676600.db2.gz MAZZEXWABWEHGU-YOEHRIQHSA-N 2 1 329.419 3.443 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1OC ZINC000503197209 458697673 /nfs/dbraw/zinc/69/76/73/458697673.db2.gz DMHGCLXGNKILPN-IRXDYDNUSA-N 2 1 347.503 3.124 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cncc(F)c3)cc2)C[C@H](C)O1 ZINC000494556470 458698355 /nfs/dbraw/zinc/69/83/55/458698355.db2.gz FCOSIELTXDHJCU-IYBDPMFKSA-N 2 1 343.446 3.120 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c(F)c2)[C@@H]1CCC[NH3+] ZINC000530222365 458721089 /nfs/dbraw/zinc/72/10/89/458721089.db2.gz JISPYSZOONJTDO-MLGOLLRUSA-N 2 1 341.858 3.257 20 0 EGADMP Fc1c(Cl)cccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242395 458728183 /nfs/dbraw/zinc/72/81/83/458728183.db2.gz UGFCERCREBUXLK-HNNXBMFYSA-N 2 1 326.843 3.070 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1(CC)CC ZINC000432408821 458734409 /nfs/dbraw/zinc/73/44/09/458734409.db2.gz VOOXZNNJEYQEOI-OKZBNKHCSA-N 2 1 326.525 3.061 20 0 EGADMP CCc1nc2c(s1)[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)CCC2 ZINC000432423088 458737283 /nfs/dbraw/zinc/73/72/83/458737283.db2.gz WSVVSLLMDJIIDK-HUUCEWRRSA-N 2 1 337.533 3.173 20 0 EGADMP CCc1nc2c(s1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CCC2 ZINC000432423088 458737292 /nfs/dbraw/zinc/73/72/92/458737292.db2.gz WSVVSLLMDJIIDK-HUUCEWRRSA-N 2 1 337.533 3.173 20 0 EGADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)CC[N@@H+](C)C2CCCCC2)o1 ZINC000547428870 458738005 /nfs/dbraw/zinc/73/80/05/458738005.db2.gz UBCMVMWZFZYMAN-UHFFFAOYSA-N 2 1 349.519 3.133 20 0 EGADMP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000456735443 458767013 /nfs/dbraw/zinc/76/70/13/458767013.db2.gz WDYCBLFNTLDQTH-INIZCTEOSA-N 2 1 346.519 3.120 20 0 EGADMP C[N@H+]1CC[C@]2(C[C@@H]1c1ccccc1)NC(=[NH2+])Nc1nc3ccccc3n12 ZINC000514823993 458801045 /nfs/dbraw/zinc/80/10/45/458801045.db2.gz ITNOIBLPFXIHDU-XLIONFOSSA-N 2 1 346.438 3.106 20 0 EGADMP Cc1ccc2[nH]c(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cc2c1C ZINC000473149043 458821731 /nfs/dbraw/zinc/82/17/31/458821731.db2.gz ISYQAWOEHBHIHI-JRGCBEDISA-N 2 1 341.499 3.468 20 0 EGADMP Cc1ccc2[nH]c(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cc2c1C ZINC000473149043 458821735 /nfs/dbraw/zinc/82/17/35/458821735.db2.gz ISYQAWOEHBHIHI-JRGCBEDISA-N 2 1 341.499 3.468 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)cc1 ZINC000440937435 458868423 /nfs/dbraw/zinc/86/84/23/458868423.db2.gz PIMDESLBUGRMHM-QFBILLFUSA-N 2 1 343.515 3.274 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000440937435 458868425 /nfs/dbraw/zinc/86/84/25/458868425.db2.gz PIMDESLBUGRMHM-QFBILLFUSA-N 2 1 343.515 3.274 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000440937435 458868429 /nfs/dbraw/zinc/86/84/29/458868429.db2.gz PIMDESLBUGRMHM-QFBILLFUSA-N 2 1 343.515 3.274 20 0 EGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000474730409 458898971 /nfs/dbraw/zinc/89/89/71/458898971.db2.gz IAERFXWEJHJPDE-ACRUOGEOSA-N 2 1 330.516 3.346 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)CC1 ZINC000519179090 458923785 /nfs/dbraw/zinc/92/37/85/458923785.db2.gz WQCDNHXBVKCVQC-KRWDZBQOSA-N 2 1 343.515 3.060 20 0 EGADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000556247235 458941266 /nfs/dbraw/zinc/94/12/66/458941266.db2.gz SNUUEOQHXYVLNZ-SJLPKXTDSA-N 2 1 325.456 3.263 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495817424 458965220 /nfs/dbraw/zinc/96/52/20/458965220.db2.gz FWGLMOKHXRREKC-IXDOHACOSA-N 2 1 341.540 3.388 20 0 EGADMP CC[C@H](C(=O)N1CCC[NH+](C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000577028543 458965587 /nfs/dbraw/zinc/96/55/87/458965587.db2.gz POXCLTKPHCYAOL-LJQANCHMSA-N 2 1 345.531 3.230 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531724197 458967848 /nfs/dbraw/zinc/96/78/48/458967848.db2.gz CKKRWMRPZNQBKW-LZWOXQAQSA-N 2 1 337.895 3.438 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531724197 458967858 /nfs/dbraw/zinc/96/78/58/458967858.db2.gz CKKRWMRPZNQBKW-LZWOXQAQSA-N 2 1 337.895 3.438 20 0 EGADMP COC1(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCCC1 ZINC000566650331 458974412 /nfs/dbraw/zinc/97/44/12/458974412.db2.gz UIDQKZOCLSTASP-PMACEKPBSA-N 2 1 328.500 3.400 20 0 EGADMP COC1(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CCCC1 ZINC000566650354 458975552 /nfs/dbraw/zinc/97/55/52/458975552.db2.gz UIDQKZOCLSTASP-VQTJNVASSA-N 2 1 328.500 3.400 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C(C)(C)C)cc1 ZINC000467867376 458990995 /nfs/dbraw/zinc/99/09/95/458990995.db2.gz OIWGSMYQGSFTLX-SJLPKXTDSA-N 2 1 345.531 3.222 20 0 EGADMP CN(C)[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc(Cl)cc1 ZINC000566924634 459022420 /nfs/dbraw/zinc/02/24/20/459022420.db2.gz RZSYANTXFFPPLW-QZTJIDSGSA-N 2 1 349.906 3.076 20 0 EGADMP COC(=O)c1cccc(CN[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000566941776 459023740 /nfs/dbraw/zinc/02/37/40/459023740.db2.gz UQLRVWAMXMAFDI-OXJNMPFZSA-N 2 1 338.451 3.398 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000567113942 459049009 /nfs/dbraw/zinc/04/90/09/459049009.db2.gz ZAYPERUCZXUFRZ-HOJAQTOUSA-N 2 1 343.515 3.030 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000442921629 459061132 /nfs/dbraw/zinc/06/11/32/459061132.db2.gz IXFUCDUUGVQWLN-LBPRGKRZSA-N 2 1 334.357 3.328 20 0 EGADMP CCC[NH+](C)[C@@H](CNC(=O)C[N@H+](C)CCC)c1ccc(Cl)cc1 ZINC000557336330 459064009 /nfs/dbraw/zinc/06/40/09/459064009.db2.gz BWAATSQCQWTXMP-KRWDZBQOSA-N 2 1 339.911 3.181 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC000557336330 459064013 /nfs/dbraw/zinc/06/40/13/459064013.db2.gz BWAATSQCQWTXMP-KRWDZBQOSA-N 2 1 339.911 3.181 20 0 EGADMP CC[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999427 459064372 /nfs/dbraw/zinc/06/43/72/459064372.db2.gz HHNDYAQERCQDHN-UHFFFAOYSA-N 2 1 343.446 3.348 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058290 459080027 /nfs/dbraw/zinc/08/00/27/459080027.db2.gz JWTXZNFDJFGAHC-QWHCGFSZSA-N 2 1 343.393 3.093 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000532480956 459096861 /nfs/dbraw/zinc/09/68/61/459096861.db2.gz HWUMHKUSIVOGMB-HZPDHXFCSA-N 2 1 329.488 3.342 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000532482495 459097124 /nfs/dbraw/zinc/09/71/24/459097124.db2.gz DHYGAUGMARWLIS-NRFANRHFSA-N 2 1 329.532 3.391 20 0 EGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000532516937 459104371 /nfs/dbraw/zinc/10/43/71/459104371.db2.gz SAHSWBUKCAGQFF-CNNODRBYSA-N 2 1 338.495 3.405 20 0 EGADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000532516937 459104378 /nfs/dbraw/zinc/10/43/78/459104378.db2.gz SAHSWBUKCAGQFF-CNNODRBYSA-N 2 1 338.495 3.405 20 0 EGADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567605786 459132472 /nfs/dbraw/zinc/13/24/72/459132472.db2.gz FLNMDWMKOUGVPN-KAGYGMCKSA-N 2 1 338.495 3.263 20 0 EGADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000567677861 459143610 /nfs/dbraw/zinc/14/36/10/459143610.db2.gz CINXTJYHOYDFBB-WOJBJXKFSA-N 2 1 348.531 3.287 20 0 EGADMP Cc1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c(Cl)c1 ZINC000521445530 459154987 /nfs/dbraw/zinc/15/49/87/459154987.db2.gz RQTOYDZRUABEOF-UHFFFAOYSA-N 2 1 333.863 3.274 20 0 EGADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000479794221 459167540 /nfs/dbraw/zinc/16/75/40/459167540.db2.gz SXZLXBBMLOVLEQ-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H](NCC1([NH+](C)C)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480133603 459184338 /nfs/dbraw/zinc/18/43/38/459184338.db2.gz FAFFPEFYZNIQED-QGZVFWFLSA-N 2 1 333.520 3.152 20 0 EGADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000578349623 459186540 /nfs/dbraw/zinc/18/65/40/459186540.db2.gz IRTDKDIUMXKCLY-YLJYHZDGSA-N 2 1 348.531 3.145 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(OC)CCCCC2)[C@@H](C)C1 ZINC000480694391 459214383 /nfs/dbraw/zinc/21/43/83/459214383.db2.gz PALOPKSFYKVVSQ-ZWKOTPCHSA-N 2 1 326.525 3.062 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000533299027 459214510 /nfs/dbraw/zinc/21/45/10/459214510.db2.gz FHVMIQIOJYDEPD-QGZVFWFLSA-N 2 1 343.515 3.039 20 0 EGADMP Cc1noc([C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000590785407 459216668 /nfs/dbraw/zinc/21/66/68/459216668.db2.gz NJTYCEYBXQEXSS-HNNXBMFYSA-N 2 1 328.460 3.283 20 0 EGADMP Cc1noc([C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000590785407 459216674 /nfs/dbraw/zinc/21/66/74/459216674.db2.gz NJTYCEYBXQEXSS-HNNXBMFYSA-N 2 1 328.460 3.283 20 0 EGADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCC1CCCCC1 ZINC000522546540 459248586 /nfs/dbraw/zinc/24/85/86/459248586.db2.gz SEZRGHJGWAOXGB-RDJZCZTQSA-N 2 1 325.541 3.027 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000496659607 459276290 /nfs/dbraw/zinc/27/62/90/459276290.db2.gz LLIZIXJJOPQGHQ-ZACQAIPSSA-N 2 1 341.540 3.198 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000496659607 459276291 /nfs/dbraw/zinc/27/62/91/459276291.db2.gz LLIZIXJJOPQGHQ-ZACQAIPSSA-N 2 1 341.540 3.198 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000496659607 459276296 /nfs/dbraw/zinc/27/62/96/459276296.db2.gz LLIZIXJJOPQGHQ-ZACQAIPSSA-N 2 1 341.540 3.198 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000496659607 459276298 /nfs/dbraw/zinc/27/62/98/459276298.db2.gz LLIZIXJJOPQGHQ-ZACQAIPSSA-N 2 1 341.540 3.198 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccncc3F)CC2)oc1C ZINC000559766298 459277076 /nfs/dbraw/zinc/27/70/76/459277076.db2.gz BNHBOBNUKBLIRC-CQSZACIVSA-N 2 1 346.450 3.388 20 0 EGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CC=C(C)CC2)c1 ZINC000559894639 459282728 /nfs/dbraw/zinc/28/27/28/459282728.db2.gz MBBOKBADVIXKTO-LJQANCHMSA-N 2 1 332.488 3.232 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000482133677 459291572 /nfs/dbraw/zinc/29/15/72/459291572.db2.gz DKWMUQHDVDHQKY-MAUKXSAKSA-N 2 1 335.467 3.254 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cc2c(s1)CCCC2 ZINC000482744892 459322584 /nfs/dbraw/zinc/32/25/84/459322584.db2.gz NPQKXLQCHPKSSZ-DOTOQJQBSA-N 2 1 336.545 3.370 20 0 EGADMP C[N@H+]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C2(CCCCC2)C1 ZINC000483142429 459343680 /nfs/dbraw/zinc/34/36/80/459343680.db2.gz IDANHTBWKMVTJI-GOSISDBHSA-N 2 1 347.547 3.118 20 0 EGADMP C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C2(CCCCC2)C1 ZINC000483142429 459343686 /nfs/dbraw/zinc/34/36/86/459343686.db2.gz IDANHTBWKMVTJI-GOSISDBHSA-N 2 1 347.547 3.118 20 0 EGADMP Cc1cc(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cn2cc[nH+]c12 ZINC000560439286 459345220 /nfs/dbraw/zinc/34/52/20/459345220.db2.gz MXVASHHHDOCFAH-UHFFFAOYSA-N 2 1 343.475 3.227 20 0 EGADMP Cc1cc(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cn2cc[nH+]c12 ZINC000560439286 459345227 /nfs/dbraw/zinc/34/52/27/459345227.db2.gz MXVASHHHDOCFAH-UHFFFAOYSA-N 2 1 343.475 3.227 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000497041075 459415566 /nfs/dbraw/zinc/41/55/66/459415566.db2.gz YYSUONPBJVXVPO-IRXDYDNUSA-N 2 1 339.524 3.098 20 0 EGADMP CCS[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000591749661 459428902 /nfs/dbraw/zinc/42/89/02/459428902.db2.gz ILFYBWZCFVMKFW-IPMKNSEASA-N 2 1 336.545 3.133 20 0 EGADMP CCS[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000591749661 459428908 /nfs/dbraw/zinc/42/89/08/459428908.db2.gz ILFYBWZCFVMKFW-IPMKNSEASA-N 2 1 336.545 3.133 20 0 EGADMP CCCC1(CNC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CCC1 ZINC000561294306 459440317 /nfs/dbraw/zinc/44/03/17/459440317.db2.gz CKVGNCXNQIJBBM-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000569500617 459463084 /nfs/dbraw/zinc/46/30/84/459463084.db2.gz FEUULBHMDMYJEI-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C4CC4)cc3)C2)CC1 ZINC000583069862 459477248 /nfs/dbraw/zinc/47/72/48/459477248.db2.gz NBLWOHNBXZTDMN-NRFANRHFSA-N 2 1 327.516 3.164 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([S@](C)=O)cc1 ZINC000596095404 459518298 /nfs/dbraw/zinc/51/82/98/459518298.db2.gz QDJDJUAOQMHUPG-JCEJCQQGSA-N 2 1 334.529 3.197 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000569985937 459542953 /nfs/dbraw/zinc/54/29/53/459542953.db2.gz LHOLGZDKZPZGEO-XLIONFOSSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)CN1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000562478854 459569836 /nfs/dbraw/zinc/56/98/36/459569836.db2.gz PQGNOZNRQUTTQC-OAHLLOKOSA-N 2 1 342.936 3.209 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000562517679 459576190 /nfs/dbraw/zinc/57/61/90/459576190.db2.gz NOJMHVZTWQDWEY-ZDUSSCGKSA-N 2 1 348.288 3.429 20 0 EGADMP CO[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000543074844 459622144 /nfs/dbraw/zinc/62/21/44/459622144.db2.gz YRZLFGHWLAOKQV-YLJYHZDGSA-N 2 1 334.479 3.237 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](C[C@](C)(O)C(F)(F)F)CC1)CC1CC1 ZINC000499603227 459641322 /nfs/dbraw/zinc/64/13/22/459641322.db2.gz QMCIDTAPPWACJR-INIZCTEOSA-N 2 1 336.442 3.134 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000562772753 459643579 /nfs/dbraw/zinc/64/35/79/459643579.db2.gz ZCVOPYLQRISWNP-GASCZTMLSA-N 2 1 344.503 3.168 20 0 EGADMP COc1ncc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000543459419 459660632 /nfs/dbraw/zinc/66/06/32/459660632.db2.gz SRNLVVRILRJEDB-ZFWWWQNUSA-N 2 1 337.895 3.486 20 0 EGADMP COc1ncc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000543459419 459660636 /nfs/dbraw/zinc/66/06/36/459660636.db2.gz SRNLVVRILRJEDB-ZFWWWQNUSA-N 2 1 337.895 3.486 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000584222389 459684254 /nfs/dbraw/zinc/68/42/54/459684254.db2.gz BJAYJFRYLXFSBH-AZUAARDMSA-N 2 1 343.515 3.012 20 0 EGADMP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CCCCC1 ZINC000543740183 459693315 /nfs/dbraw/zinc/69/33/15/459693315.db2.gz BKKYRPLODQDWQG-KJJMTIBFSA-N 2 1 342.527 3.428 20 0 EGADMP Fc1ccc(COc2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000563150302 459724939 /nfs/dbraw/zinc/72/49/39/459724939.db2.gz JSKOBDOLJXXKNB-OALUTQOASA-N 2 1 340.442 3.446 20 0 EGADMP Fc1ccc(COc2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000563150302 459724944 /nfs/dbraw/zinc/72/49/44/459724944.db2.gz JSKOBDOLJXXKNB-OALUTQOASA-N 2 1 340.442 3.446 20 0 EGADMP Cc1cc(C)c(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cn1 ZINC000573776088 459731582 /nfs/dbraw/zinc/73/15/82/459731582.db2.gz MWJZKZCUBPWPQJ-LJQANCHMSA-N 2 1 344.503 3.295 20 0 EGADMP C[C@H]1C[C@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)CC[N@@H+]1C ZINC000527939397 459777656 /nfs/dbraw/zinc/77/76/56/459777656.db2.gz NTUZEFOQOLMIEK-MAUKXSAKSA-N 2 1 346.519 3.464 20 0 EGADMP C[C@H]1C[C@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)CC[N@H+]1C ZINC000527939397 459777661 /nfs/dbraw/zinc/77/76/61/459777661.db2.gz NTUZEFOQOLMIEK-MAUKXSAKSA-N 2 1 346.519 3.464 20 0 EGADMP C[NH+](C)CC[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C(C)(C)C ZINC000545309233 459823414 /nfs/dbraw/zinc/82/34/14/459823414.db2.gz WELBDWFVILBBOW-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000566213107 459823697 /nfs/dbraw/zinc/82/36/97/459823697.db2.gz YGVVHLMZZWMBQZ-HKUYNNGSSA-N 2 1 331.504 3.166 20 0 EGADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574565341 459834308 /nfs/dbraw/zinc/83/43/08/459834308.db2.gz QQJFIFOAUUDTNQ-HDAAZOAOSA-N 2 1 332.532 3.499 20 0 EGADMP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000545866817 459862970 /nfs/dbraw/zinc/86/29/70/459862970.db2.gz GQHKTQFFCHEATG-WIYYLYMNSA-N 2 1 346.515 3.009 20 0 EGADMP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000545866817 459862975 /nfs/dbraw/zinc/86/29/75/459862975.db2.gz GQHKTQFFCHEATG-WIYYLYMNSA-N 2 1 346.515 3.009 20 0 EGADMP CC(C)c1ccc(CC[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000546007409 459886546 /nfs/dbraw/zinc/88/65/46/459886546.db2.gz WTYFPZPFKKWFNK-QFIPXVFZSA-N 2 1 343.559 3.453 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2[nH]ccc2c1 ZINC000574927112 459896876 /nfs/dbraw/zinc/89/68/76/459896876.db2.gz XXZBHGWQQZXXRY-RBBKRZOGSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000574927112 459896877 /nfs/dbraw/zinc/89/68/77/459896877.db2.gz XXZBHGWQQZXXRY-RBBKRZOGSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000574927112 459896880 /nfs/dbraw/zinc/89/68/80/459896880.db2.gz XXZBHGWQQZXXRY-RBBKRZOGSA-N 2 1 349.478 3.141 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)c2ccccc21 ZINC000599069673 460150114 /nfs/dbraw/zinc/15/01/14/460150114.db2.gz IFADHBGMVMXTJN-NSISKUIASA-N 2 1 344.499 3.490 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)CCC2 ZINC000599071662 460150785 /nfs/dbraw/zinc/15/07/85/460150785.db2.gz SBGWTPDHROINOT-HOTGVXAUSA-N 2 1 348.487 3.464 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)CCC2 ZINC000599071662 460150791 /nfs/dbraw/zinc/15/07/91/460150791.db2.gz SBGWTPDHROINOT-HOTGVXAUSA-N 2 1 348.487 3.464 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)CCC2 ZINC000599071662 460150801 /nfs/dbraw/zinc/15/08/01/460150801.db2.gz SBGWTPDHROINOT-HOTGVXAUSA-N 2 1 348.487 3.464 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC000599310323 460224432 /nfs/dbraw/zinc/22/44/32/460224432.db2.gz QANKFSGZNZOGBX-XLIONFOSSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000599310323 460224436 /nfs/dbraw/zinc/22/44/36/460224436.db2.gz QANKFSGZNZOGBX-XLIONFOSSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC000599310323 460224440 /nfs/dbraw/zinc/22/44/40/460224440.db2.gz QANKFSGZNZOGBX-XLIONFOSSA-N 2 1 343.515 3.162 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)CC)CC2)cc1 ZINC000622658478 460291654 /nfs/dbraw/zinc/29/16/54/460291654.db2.gz YOYGWQSBPAVSLD-SFHVURJKSA-N 2 1 345.531 3.475 20 0 EGADMP C[C@@H]1CC(F)(F)CC[NH+]1CCOCC[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000625980079 460324911 /nfs/dbraw/zinc/32/49/11/460324911.db2.gz AQQNTEUHFQLIMQ-OKILXGFUSA-N 2 1 340.405 3.242 20 0 EGADMP C[C@@H]1CC(F)(F)CC[N@H+]1CCOCC[NH+]1CCC(F)(F)C[C@@H]1C ZINC000625980079 460324915 /nfs/dbraw/zinc/32/49/15/460324915.db2.gz AQQNTEUHFQLIMQ-OKILXGFUSA-N 2 1 340.405 3.242 20 0 EGADMP C[C@@H]1CC(F)(F)CC[N@@H+]1CCOCC[NH+]1CCC(F)(F)C[C@@H]1C ZINC000625980079 460324917 /nfs/dbraw/zinc/32/49/17/460324917.db2.gz AQQNTEUHFQLIMQ-OKILXGFUSA-N 2 1 340.405 3.242 20 0 EGADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000631626452 460477559 /nfs/dbraw/zinc/47/75/59/460477559.db2.gz XNFYOAPAIOAEJQ-QGZVFWFLSA-N 2 1 342.531 3.105 20 0 EGADMP O[C@]1(C[NH2+]CC2CCC(F)(F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634712359 460488258 /nfs/dbraw/zinc/48/82/58/460488258.db2.gz DPKLICALBDBBNO-SFHVURJKSA-N 2 1 338.442 3.039 20 0 EGADMP O[C@]1(C[NH2+]CC2CCC(F)(F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634712359 460488269 /nfs/dbraw/zinc/48/82/69/460488269.db2.gz DPKLICALBDBBNO-SFHVURJKSA-N 2 1 338.442 3.039 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623356989 460506519 /nfs/dbraw/zinc/50/65/19/460506519.db2.gz SMZREOONLFYRGS-UHFFFAOYSA-N 2 1 349.466 3.274 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000623404004 460530955 /nfs/dbraw/zinc/53/09/55/460530955.db2.gz NSYMTPZKUMKKCO-CQSZACIVSA-N 2 1 325.447 3.241 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000623404004 460530961 /nfs/dbraw/zinc/53/09/61/460530961.db2.gz NSYMTPZKUMKKCO-CQSZACIVSA-N 2 1 325.447 3.241 20 0 EGADMP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635415118 460776746 /nfs/dbraw/zinc/77/67/46/460776746.db2.gz ABIACVLJUAXKSO-FQEVSTJZSA-N 2 1 341.499 3.280 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)o1 ZINC000607125381 460793241 /nfs/dbraw/zinc/79/32/41/460793241.db2.gz YLONLYOONFBEHY-JKSUJKDBSA-N 2 1 335.492 3.066 20 0 EGADMP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629560555 460808370 /nfs/dbraw/zinc/80/83/70/460808370.db2.gz FRRJMWULNHVPFH-GOEBONIOSA-N 2 1 330.394 3.433 20 0 EGADMP CC(C)Oc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629560555 460808377 /nfs/dbraw/zinc/80/83/77/460808377.db2.gz FRRJMWULNHVPFH-GOEBONIOSA-N 2 1 330.394 3.433 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(OC(F)F)c2)CC[C@H]1C(F)(F)F ZINC000629563504 460810535 /nfs/dbraw/zinc/81/05/35/460810535.db2.gz RCABEDYARHMUIQ-WCQYABFASA-N 2 1 338.320 3.247 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)CC[C@H]1C(F)(F)F ZINC000629563504 460810543 /nfs/dbraw/zinc/81/05/43/460810543.db2.gz RCABEDYARHMUIQ-WCQYABFASA-N 2 1 338.320 3.247 20 0 EGADMP Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NC[C@@H](O)C[NH+]1CCCC1 ZINC000629581505 460814846 /nfs/dbraw/zinc/81/48/46/460814846.db2.gz CMYIHHOJXHJKNM-IEBWSBKVSA-N 2 1 331.504 3.242 20 0 EGADMP Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NC[C@@H](O)C[NH+]1CCCC1 ZINC000629581505 460814848 /nfs/dbraw/zinc/81/48/48/460814848.db2.gz CMYIHHOJXHJKNM-IEBWSBKVSA-N 2 1 331.504 3.242 20 0 EGADMP CN(C(=O)CCCC1CCCCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000601477218 460817709 /nfs/dbraw/zinc/81/77/09/460817709.db2.gz GSGWFOJCCPYPHO-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)CCCC1CCCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601477218 460817715 /nfs/dbraw/zinc/81/77/15/460817715.db2.gz GSGWFOJCCPYPHO-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC000635546166 460826654 /nfs/dbraw/zinc/82/66/54/460826654.db2.gz OLGGDCJKNNOBOM-UHFFFAOYSA-N 2 1 343.515 3.019 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000635566746 460834128 /nfs/dbraw/zinc/83/41/28/460834128.db2.gz YLSRZTBMOCNNTH-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000635566746 460834134 /nfs/dbraw/zinc/83/41/34/460834134.db2.gz YLSRZTBMOCNNTH-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CC1(C)Cc2cc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)ccc2O1 ZINC000629655425 460848662 /nfs/dbraw/zinc/84/86/62/460848662.db2.gz KQDDDDUSNUGGBA-LSDHHAIUSA-N 2 1 342.405 3.359 20 0 EGADMP CC1(C)Cc2cc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)ccc2O1 ZINC000629655425 460848668 /nfs/dbraw/zinc/84/86/68/460848668.db2.gz KQDDDDUSNUGGBA-LSDHHAIUSA-N 2 1 342.405 3.359 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)CC[C@H]1C(F)(F)F ZINC000629654733 460849109 /nfs/dbraw/zinc/84/91/09/460849109.db2.gz QAILWKCGMNIUBE-NVXWUHKLSA-N 2 1 342.405 3.435 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCC3CC3)cc2)CC[C@H]1C(F)(F)F ZINC000629654733 460849116 /nfs/dbraw/zinc/84/91/16/460849116.db2.gz QAILWKCGMNIUBE-NVXWUHKLSA-N 2 1 342.405 3.435 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(C)cn2)[C@H](C)C1 ZINC000624112750 460865765 /nfs/dbraw/zinc/86/57/65/460865765.db2.gz KCEFDTJFSWJUHW-RTBURBONSA-N 2 1 347.547 3.394 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)c1OC ZINC000624122871 460872438 /nfs/dbraw/zinc/87/24/38/460872438.db2.gz AHWSFTNWEHNQEJ-RDJZCZTQSA-N 2 1 334.504 3.265 20 0 EGADMP C[N@@H+](CCN1CC[NH+](CCC2CCCC2)CC1)Cc1ccccc1 ZINC000607729630 460892689 /nfs/dbraw/zinc/89/26/89/460892689.db2.gz ZRCFJSYOULLOEN-UHFFFAOYSA-N 2 1 329.532 3.316 20 0 EGADMP C[C@@H]1C[C@@H](N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000624289845 460945314 /nfs/dbraw/zinc/94/53/14/460945314.db2.gz QASHTXDYTJGCGQ-RLCCDNCMSA-N 2 1 331.287 3.489 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CCN1C ZINC000624289845 460945321 /nfs/dbraw/zinc/94/53/21/460945321.db2.gz QASHTXDYTJGCGQ-RLCCDNCMSA-N 2 1 331.287 3.489 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000624289845 460945325 /nfs/dbraw/zinc/94/53/25/460945325.db2.gz QASHTXDYTJGCGQ-RLCCDNCMSA-N 2 1 331.287 3.489 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000624289845 460945330 /nfs/dbraw/zinc/94/53/30/460945330.db2.gz QASHTXDYTJGCGQ-RLCCDNCMSA-N 2 1 331.287 3.489 20 0 EGADMP CC[N@@H+](CCC1CCN(C(=O)C[NH+](C)C2CCC2)CC1)CC(C)C ZINC000629979202 460985066 /nfs/dbraw/zinc/98/50/66/460985066.db2.gz TWHJQIQQWBPLKY-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1)CC(C)C ZINC000629979202 460985070 /nfs/dbraw/zinc/98/50/70/460985070.db2.gz TWHJQIQQWBPLKY-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1)CC(C)C ZINC000629979202 460985075 /nfs/dbraw/zinc/98/50/75/460985075.db2.gz TWHJQIQQWBPLKY-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CCC1([NH+]2CCOCC2)CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000624703969 461096664 /nfs/dbraw/zinc/09/66/64/461096664.db2.gz ZCMCUVMYYZCCCW-UHFFFAOYSA-N 2 1 343.446 3.455 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(CCOC)s2)CC1 ZINC000637904766 461116545 /nfs/dbraw/zinc/11/65/45/461116545.db2.gz GLUFOJYSQVQRPU-UHFFFAOYSA-N 2 1 339.549 3.276 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3nc4ccccc4s3)C2)C1 ZINC000652349552 461141571 /nfs/dbraw/zinc/14/15/71/461141571.db2.gz SKRHYPWTHALDMI-FMKPAKJESA-N 2 1 331.485 3.015 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652354138 461150508 /nfs/dbraw/zinc/15/05/08/461150508.db2.gz NUMFCGCBPCLNGP-ZBFHGGJFSA-N 2 1 335.517 3.186 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000662273023 461161349 /nfs/dbraw/zinc/16/13/49/461161349.db2.gz JMYNAAOGVFAMLP-DLBZAZTESA-N 2 1 341.455 3.172 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(F)ccc1OC(F)F)CC[NH2+]CC2 ZINC000662283448 461166313 /nfs/dbraw/zinc/16/63/13/461166313.db2.gz OHJHCSALQUGARC-GFCCVEGCSA-N 2 1 328.378 3.391 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)c1 ZINC000662295203 461171759 /nfs/dbraw/zinc/17/17/59/461171759.db2.gz FWWJWQKWQGWKAA-PKOBYXMFSA-N 2 1 343.515 3.342 20 0 EGADMP C[N@H+](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CC(C)(C)[NH3+] ZINC000662294006 461173612 /nfs/dbraw/zinc/17/36/12/461173612.db2.gz ZGJAURJUURDILA-UHFFFAOYSA-N 2 1 341.455 3.477 20 0 EGADMP C[N@@H+](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CC(C)(C)[NH3+] ZINC000662294006 461173624 /nfs/dbraw/zinc/17/36/24/461173624.db2.gz ZGJAURJUURDILA-UHFFFAOYSA-N 2 1 341.455 3.477 20 0 EGADMP C[N@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)CC(C)(C)[NH3+] ZINC000662296235 461175010 /nfs/dbraw/zinc/17/50/10/461175010.db2.gz AKEMVKQJYJLQRM-GOSISDBHSA-N 2 1 345.512 3.013 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)CC(C)(C)[NH3+] ZINC000662296235 461175018 /nfs/dbraw/zinc/17/50/18/461175018.db2.gz AKEMVKQJYJLQRM-GOSISDBHSA-N 2 1 345.512 3.013 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297450 461175307 /nfs/dbraw/zinc/17/53/07/461175307.db2.gz QELHCPUWBIQFEX-GOEBONIOSA-N 2 1 349.906 3.379 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)[C@@H]1CCC[NH3+] ZINC000662315067 461187501 /nfs/dbraw/zinc/18/75/01/461187501.db2.gz SFRKAXBZIWMCRJ-NVXWUHKLSA-N 2 1 334.460 3.024 20 0 EGADMP CC(C)(C)c1cc[nH+]c(N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000641409196 461239796 /nfs/dbraw/zinc/23/97/96/461239796.db2.gz PFQYZSQYMGBGKA-UHFFFAOYSA-N 2 1 331.504 3.460 20 0 EGADMP CC(C)(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000662669472 461341318 /nfs/dbraw/zinc/34/13/18/461341318.db2.gz ZQABAGLUXHOUDM-PKOBYXMFSA-N 2 1 343.515 3.236 20 0 EGADMP CCCCC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000652757047 461342765 /nfs/dbraw/zinc/34/27/65/461342765.db2.gz GEGNMIDUOHFJCT-UHFFFAOYSA-N 2 1 345.531 3.137 20 0 EGADMP Clc1ccc2c(CC[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)c[nH]c2c1 ZINC000655703623 461373891 /nfs/dbraw/zinc/37/38/91/461373891.db2.gz JDRZTWYQIMRAKP-QGZVFWFLSA-N 2 1 347.890 3.207 20 0 EGADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000641801718 461380218 /nfs/dbraw/zinc/38/02/18/461380218.db2.gz FLBPYGOZFCEXPW-UXHICEINSA-N 2 1 349.478 3.165 20 0 EGADMP CC(C)Oc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638374683 461394341 /nfs/dbraw/zinc/39/43/41/461394341.db2.gz RNBKPKQKKTXORF-INIZCTEOSA-N 2 1 334.504 3.360 20 0 EGADMP CCn1c(C)cc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655744298 461412746 /nfs/dbraw/zinc/41/27/46/461412746.db2.gz OZANFCDGBWUROF-ICSRJNTNSA-N 2 1 345.531 3.427 20 0 EGADMP Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2)cs1 ZINC000641966595 461421308 /nfs/dbraw/zinc/42/13/08/461421308.db2.gz XETCZKFRRCCSGT-KDOFPFPSSA-N 2 1 345.512 3.226 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000638448465 461432505 /nfs/dbraw/zinc/43/25/05/461432505.db2.gz RWXCCGNBLNCUAU-SJORKVTESA-N 2 1 337.467 3.053 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000638448465 461432518 /nfs/dbraw/zinc/43/25/18/461432518.db2.gz RWXCCGNBLNCUAU-SJORKVTESA-N 2 1 337.467 3.053 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000659825162 461437499 /nfs/dbraw/zinc/43/74/99/461437499.db2.gz OUYSRNZWGBKJDZ-BGYRXZFFSA-N 2 1 329.532 3.172 20 0 EGADMP c1ccc2c(c1)CC[C@@H]2CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655772654 461437778 /nfs/dbraw/zinc/43/77/78/461437778.db2.gz ZDIRCEPWKGXQCJ-QUCCMNQESA-N 2 1 328.500 3.340 20 0 EGADMP Fc1ccc(CC2([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000655772874 461438837 /nfs/dbraw/zinc/43/88/37/461438837.db2.gz UIDVJRXWVJGMLP-IBGZPJMESA-N 2 1 332.463 3.134 20 0 EGADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1(C)C ZINC000655776096 461440393 /nfs/dbraw/zinc/44/03/93/461440393.db2.gz HVTCECHSEOBACK-FGTMMUONSA-N 2 1 338.536 3.202 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(Br)c1Cl ZINC000631056524 461509349 /nfs/dbraw/zinc/50/93/49/461509349.db2.gz KZUKKXKXJZSYPU-UHFFFAOYSA-N 2 1 328.641 3.397 20 0 EGADMP CC[N@@H+](CCCNC(=O)c1ccc([C@H](C)[NH3+])cc1)C1CCCCC1 ZINC000653200783 461554704 /nfs/dbraw/zinc/55/47/04/461554704.db2.gz PXZJSDCKQHPDOW-INIZCTEOSA-N 2 1 331.504 3.481 20 0 EGADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347235 461576925 /nfs/dbraw/zinc/57/69/25/461576925.db2.gz HPERBCHHCFXGHA-WMZOPIPTSA-N 2 1 329.488 3.115 20 0 EGADMP COc1cc(Cl)c(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1OC ZINC000631154675 461594576 /nfs/dbraw/zinc/59/45/76/461594576.db2.gz FYUJTRJKZOEZBS-UHFFFAOYSA-N 2 1 326.868 3.321 20 0 EGADMP CC(C)n1cncc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631193211 461632102 /nfs/dbraw/zinc/63/21/02/461632102.db2.gz CAKWREBOAOBXQQ-MJGOQNOKSA-N 2 1 326.488 3.322 20 0 EGADMP CC(C)n1cncc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631193211 461632106 /nfs/dbraw/zinc/63/21/06/461632106.db2.gz CAKWREBOAOBXQQ-MJGOQNOKSA-N 2 1 326.488 3.322 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000663466254 461654685 /nfs/dbraw/zinc/65/46/85/461654685.db2.gz QDTUWYIUWYBWBO-AEFFLSMTSA-N 2 1 343.515 3.161 20 0 EGADMP COC[C@H](C[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1)OC ZINC000638973285 461663014 /nfs/dbraw/zinc/66/30/14/461663014.db2.gz YXWORIWQCWRBJI-PZJWPPBQSA-N 2 1 348.531 3.176 20 0 EGADMP CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639046001 461687739 /nfs/dbraw/zinc/68/77/39/461687739.db2.gz RHRPQAFSYGVLBF-GFOJFJKKSA-N 2 1 344.499 3.138 20 0 EGADMP CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639046001 461687745 /nfs/dbraw/zinc/68/77/45/461687745.db2.gz RHRPQAFSYGVLBF-GFOJFJKKSA-N 2 1 344.499 3.138 20 0 EGADMP CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639046003 461688332 /nfs/dbraw/zinc/68/83/32/461688332.db2.gz RHRPQAFSYGVLBF-ZIBCJSCZSA-N 2 1 344.499 3.138 20 0 EGADMP CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639046003 461688337 /nfs/dbraw/zinc/68/83/37/461688337.db2.gz RHRPQAFSYGVLBF-ZIBCJSCZSA-N 2 1 344.499 3.138 20 0 EGADMP C[C@@H](c1ccsc1)[NH+]1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000660288199 461688658 /nfs/dbraw/zinc/68/86/58/461688658.db2.gz OQAIJFCCZGALPE-KSZLIROESA-N 2 1 335.561 3.405 20 0 EGADMP C[C@@H](c1ccsc1)[NH+]1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000660288199 461688662 /nfs/dbraw/zinc/68/86/62/461688662.db2.gz OQAIJFCCZGALPE-KSZLIROESA-N 2 1 335.561 3.405 20 0 EGADMP C[C@H](c1ccsc1)[NH+]1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000660288197 461688942 /nfs/dbraw/zinc/68/89/42/461688942.db2.gz OQAIJFCCZGALPE-FGTMMUONSA-N 2 1 335.561 3.405 20 0 EGADMP C[C@H](c1ccsc1)[NH+]1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000660288197 461688952 /nfs/dbraw/zinc/68/89/52/461688952.db2.gz OQAIJFCCZGALPE-FGTMMUONSA-N 2 1 335.561 3.405 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)[C@@H]1OC ZINC000639047623 461690205 /nfs/dbraw/zinc/69/02/05/461690205.db2.gz MAPBKMPIYVKAJS-RQSWOZRGSA-N 2 1 344.499 3.137 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)[C@@H]1OC ZINC000639047623 461690208 /nfs/dbraw/zinc/69/02/08/461690208.db2.gz MAPBKMPIYVKAJS-RQSWOZRGSA-N 2 1 344.499 3.137 20 0 EGADMP CC[C@H](CC(F)F)C[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000660333700 461714709 /nfs/dbraw/zinc/71/47/09/461714709.db2.gz DHWNYDQAMZFICC-VQIMIIECSA-N 2 1 340.458 3.237 20 0 EGADMP CC[C@H](CC(F)F)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660333700 461714718 /nfs/dbraw/zinc/71/47/18/461714718.db2.gz DHWNYDQAMZFICC-VQIMIIECSA-N 2 1 340.458 3.237 20 0 EGADMP CC[C@H](CC(F)F)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660333700 461714727 /nfs/dbraw/zinc/71/47/27/461714727.db2.gz DHWNYDQAMZFICC-VQIMIIECSA-N 2 1 340.458 3.237 20 0 EGADMP CC[C@H](CC(F)F)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660333700 461714735 /nfs/dbraw/zinc/71/47/35/461714735.db2.gz DHWNYDQAMZFICC-VQIMIIECSA-N 2 1 340.458 3.237 20 0 EGADMP CC[C@H](CC(F)F)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660333700 461714744 /nfs/dbraw/zinc/71/47/44/461714744.db2.gz DHWNYDQAMZFICC-VQIMIIECSA-N 2 1 340.458 3.237 20 0 EGADMP FC(F)(F)OCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639094423 461721817 /nfs/dbraw/zinc/72/18/17/461721817.db2.gz QWIZCGOBCMKEBT-GDBMZVCRSA-N 2 1 328.378 3.481 20 0 EGADMP FC(F)(F)OCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639094423 461721822 /nfs/dbraw/zinc/72/18/22/461721822.db2.gz QWIZCGOBCMKEBT-GDBMZVCRSA-N 2 1 328.378 3.481 20 0 EGADMP COc1cccc2c1OC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC000643451994 461730710 /nfs/dbraw/zinc/73/07/10/461730710.db2.gz LKTCGTYFLPRSLP-IPMKNSEASA-N 2 1 338.451 3.082 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])N1CCCC1 ZINC000643455779 461733087 /nfs/dbraw/zinc/73/30/87/461733087.db2.gz XMMICIOZEKOQLP-QYZOEREBSA-N 2 1 331.504 3.082 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@H]1[NH3+] ZINC000647497268 461734773 /nfs/dbraw/zinc/73/47/73/461734773.db2.gz BFSAAHCONYUNTK-YLJYHZDGSA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2c(C)nn(Cc3ccccc3)c2C)CC[C@@H]1[NH3+] ZINC000647498253 461736912 /nfs/dbraw/zinc/73/69/12/461736912.db2.gz DEDJTDDBEFDHQP-QUCCMNQESA-N 2 1 326.488 3.107 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(N2CCCC2)n1 ZINC000643471361 461738413 /nfs/dbraw/zinc/73/84/13/461738413.db2.gz WTEYAQKURJIRLL-SLFFLAALSA-N 2 1 342.531 3.391 20 0 EGADMP C[C@H](N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000643480207 461740672 /nfs/dbraw/zinc/74/06/72/461740672.db2.gz FTOPEMDQMNLFQY-OFOKGCAXSA-N 2 1 327.516 3.017 20 0 EGADMP COc1ccccc1COC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000653596089 461748877 /nfs/dbraw/zinc/74/88/77/461748877.db2.gz DAGGNYQBYPOBJG-UHFFFAOYSA-N 2 1 343.471 3.043 20 0 EGADMP Cc1c([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)nnn1-c1ccc(C)cc1 ZINC000643523431 461752810 /nfs/dbraw/zinc/75/28/10/461752810.db2.gz DLFHICWSWQIIRB-HNNXBMFYSA-N 2 1 347.466 3.338 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CC45CC[NH2+]CC5)[C@H]3C2)cc1 ZINC000643535016 461755095 /nfs/dbraw/zinc/75/50/95/461755095.db2.gz HICPTVJLXYOWQS-TUFLPTIASA-N 3 1 339.527 3.019 20 0 EGADMP c1cn2c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c(C3CC3)nc2s1 ZINC000647543206 461756891 /nfs/dbraw/zinc/75/68/91/461756891.db2.gz JHQLLLHZLFVLRQ-HOTGVXAUSA-N 2 1 344.528 3.485 20 0 EGADMP Clc1ccc2ncc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543664 461759013 /nfs/dbraw/zinc/75/90/13/461759013.db2.gz QYDICFSGNWZTKV-LSDHHAIUSA-N 2 1 332.879 3.199 20 0 EGADMP Cn1c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc2cc(Cl)ccc21 ZINC000647544245 461759247 /nfs/dbraw/zinc/75/92/47/461759247.db2.gz YMTUZWVDJUBGEB-GJZGRUSLSA-N 2 1 346.906 3.438 20 0 EGADMP Fc1ccc(N2CC[C@@H](C[NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1F ZINC000656493816 461766203 /nfs/dbraw/zinc/76/62/03/461766203.db2.gz ZYCRXUORPKDERC-AWEZNQCLSA-N 2 1 335.442 3.008 20 0 EGADMP C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1C[C@@H]1CC[NH2+]C1)OCCO3 ZINC000647874478 461867480 /nfs/dbraw/zinc/86/74/80/461867480.db2.gz ZRNYYTFUJCIELH-JKSUJKDBSA-N 2 1 342.483 3.256 20 0 EGADMP C[N@@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CC[NH2+]C1 ZINC000647880917 461868407 /nfs/dbraw/zinc/86/84/07/461868407.db2.gz DHDCRUGAWOMZBG-QGZVFWFLSA-N 2 1 326.488 3.331 20 0 EGADMP Cc1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)ccc1-n1cncn1 ZINC000639375231 461893290 /nfs/dbraw/zinc/89/32/90/461893290.db2.gz RYWGOROUQMDIMM-UHFFFAOYSA-N 2 1 339.487 3.026 20 0 EGADMP Cn1c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc2ccc(Cl)cc21 ZINC000656784747 461893499 /nfs/dbraw/zinc/89/34/99/461893499.db2.gz GTZWFIMRKZEPRQ-OAHLLOKOSA-N 2 1 346.906 3.438 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1OC ZINC000656784921 461894588 /nfs/dbraw/zinc/89/45/88/461894588.db2.gz ICCXTCWEZNXTEM-SFHVURJKSA-N 2 1 332.488 3.306 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3F)C2)C1 ZINC000650707827 461902047 /nfs/dbraw/zinc/90/20/47/461902047.db2.gz NSDAOHZFCIBOJN-YSVLISHTSA-N 2 1 326.843 3.197 20 0 EGADMP Fc1ccc(CCN2CCC([NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC000666995201 461902674 /nfs/dbraw/zinc/90/26/74/461902674.db2.gz GBBJETKJWYCMDI-HXUWFJFHSA-N 2 1 345.506 3.097 20 0 EGADMP COc1c(Br)cccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995512 461902749 /nfs/dbraw/zinc/90/27/49/461902749.db2.gz PXZCNFVCMLKOPW-ZDUSSCGKSA-N 2 1 339.277 3.222 20 0 EGADMP CC[C@H](C)Oc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1OC ZINC000650709282 461903199 /nfs/dbraw/zinc/90/31/99/461903199.db2.gz OUSBFYJXYJMEHU-KNBMTAEXSA-N 2 1 332.488 3.433 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650708895 461903345 /nfs/dbraw/zinc/90/33/45/461903345.db2.gz SSEXKIOYQJZHKS-JXFKEZNVSA-N 2 1 342.462 3.189 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2noc(-c3c(F)cccc3Cl)n2)C1 ZINC000647951801 461903679 /nfs/dbraw/zinc/90/36/79/461903679.db2.gz USNWZZVGAQFJGC-LLVKDONJSA-N 2 1 338.814 3.090 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2noc(-c3c(F)cccc3Cl)n2)C1 ZINC000647951801 461903684 /nfs/dbraw/zinc/90/36/84/461903684.db2.gz USNWZZVGAQFJGC-LLVKDONJSA-N 2 1 338.814 3.090 20 0 EGADMP C[C@@H](c1nc(-c2ccccc2)no1)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654992 461905108 /nfs/dbraw/zinc/90/51/08/461905108.db2.gz JXLQMSBCMFIGPQ-HNAYVOBHSA-N 2 1 326.444 3.215 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)[C@H]1CC[NH3+] ZINC000650711924 461905094 /nfs/dbraw/zinc/90/50/94/461905094.db2.gz JHNHNQXTGZUZFG-BEFAXECRSA-N 2 1 330.451 3.020 20 0 EGADMP CCOc1cccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1OC(F)F ZINC000666999411 461905809 /nfs/dbraw/zinc/90/58/09/461905809.db2.gz FEWZZZHGFVLEQE-AWEZNQCLSA-N 2 1 340.414 3.451 20 0 EGADMP Fc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1Br ZINC000666999511 461906193 /nfs/dbraw/zinc/90/61/93/461906193.db2.gz QPQGDDLVHCEUSK-GFCCVEGCSA-N 2 1 327.241 3.353 20 0 EGADMP COc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000650718432 461909050 /nfs/dbraw/zinc/90/90/50/461909050.db2.gz MJJAYURKGBKHSM-UHFFFAOYSA-N 2 1 340.345 3.184 20 0 EGADMP [NH3+]Cc1ccc(C[NH2+]Cc2c(C3CC3)nc3sccn23)c(F)c1 ZINC000650717950 461909506 /nfs/dbraw/zinc/90/95/06/461909506.db2.gz RTSWYBFXDWYZCS-UHFFFAOYSA-N 2 1 330.432 3.161 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000650724110 461916836 /nfs/dbraw/zinc/91/68/36/461916836.db2.gz YIXCEFZZZHAOFK-COXVUDFISA-N 2 1 326.843 3.340 20 0 EGADMP CSc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976620 461918557 /nfs/dbraw/zinc/91/85/57/461918557.db2.gz RDZHNEWGJMXIHJ-HOTGVXAUSA-N 2 1 347.528 3.059 20 0 EGADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976406 461918722 /nfs/dbraw/zinc/91/87/22/461918722.db2.gz NZISQIOBFCMWLB-BBWFWOEESA-N 2 1 347.478 3.173 20 0 EGADMP Cc1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647976191 461919002 /nfs/dbraw/zinc/91/90/02/461919002.db2.gz LHMSUHLERYDJHU-ROUUACIJSA-N 2 1 340.471 3.257 20 0 EGADMP c1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647989923 461925347 /nfs/dbraw/zinc/92/53/47/461925347.db2.gz FCOCIZQBUPNVCX-SFHVURJKSA-N 2 1 326.488 3.281 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000657347965 462062298 /nfs/dbraw/zinc/06/22/98/462062298.db2.gz YVXPTMSNBZSLLJ-JKSUJKDBSA-N 2 1 331.460 3.031 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2cc(Cl)cnc2o1 ZINC000648384620 462093151 /nfs/dbraw/zinc/09/31/51/462093151.db2.gz HZXAWXMCPOHTHS-PVAVHDDUSA-N 2 1 349.862 3.165 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc2cc(Cl)cnc2o1 ZINC000648384620 462093155 /nfs/dbraw/zinc/09/31/55/462093155.db2.gz HZXAWXMCPOHTHS-PVAVHDDUSA-N 2 1 349.862 3.165 20 0 EGADMP OCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000648446439 462122391 /nfs/dbraw/zinc/12/23/91/462122391.db2.gz OXMLDBBDQPTOMA-LPHOPBHVSA-N 2 1 336.907 3.098 20 0 EGADMP Clc1ccccc1N1CC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000657538880 462173069 /nfs/dbraw/zinc/17/30/69/462173069.db2.gz XRWCANBPBPXALZ-IXDOHACOSA-N 2 1 333.907 3.383 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000667668594 462200791 /nfs/dbraw/zinc/20/07/91/462200791.db2.gz SJEIFOUCURTKAN-MJGOQNOKSA-N 2 1 334.504 3.407 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000667668594 462200797 /nfs/dbraw/zinc/20/07/97/462200797.db2.gz SJEIFOUCURTKAN-MJGOQNOKSA-N 2 1 334.504 3.407 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000667668594 462200802 /nfs/dbraw/zinc/20/08/02/462200802.db2.gz SJEIFOUCURTKAN-MJGOQNOKSA-N 2 1 334.504 3.407 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000667668594 462200809 /nfs/dbraw/zinc/20/08/09/462200809.db2.gz SJEIFOUCURTKAN-MJGOQNOKSA-N 2 1 334.504 3.407 20 0 EGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667681433 462211128 /nfs/dbraw/zinc/21/11/28/462211128.db2.gz JHGGPCJDMFRAOE-FPOVZHCZSA-N 2 1 344.499 3.018 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667681433 462211135 /nfs/dbraw/zinc/21/11/35/462211135.db2.gz JHGGPCJDMFRAOE-FPOVZHCZSA-N 2 1 344.499 3.018 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667681433 462211139 /nfs/dbraw/zinc/21/11/39/462211139.db2.gz JHGGPCJDMFRAOE-FPOVZHCZSA-N 2 1 344.499 3.018 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667681433 462211146 /nfs/dbraw/zinc/21/11/46/462211146.db2.gz JHGGPCJDMFRAOE-FPOVZHCZSA-N 2 1 344.499 3.018 20 0 EGADMP [NH3+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000667729466 462234222 /nfs/dbraw/zinc/23/42/22/462234222.db2.gz IBPMTZTVAYZOKC-LJQANCHMSA-N 2 1 344.503 3.312 20 0 EGADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(COC[C@H]2CCCO2)c1 ZINC000657802631 462275032 /nfs/dbraw/zinc/27/50/32/462275032.db2.gz COVNHTKVTNLAAP-NJDAHSKKSA-N 2 1 344.499 3.099 20 0 EGADMP [NH3+]C1(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CCCC1 ZINC000665249391 462367241 /nfs/dbraw/zinc/36/72/41/462367241.db2.gz PMSXCYWZGMZOOV-AWEZNQCLSA-N 2 1 327.241 3.437 20 0 EGADMP [NH3+]C1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCCC1 ZINC000665246524 462367833 /nfs/dbraw/zinc/36/78/33/462367833.db2.gz HQQVVYPJIXDGGM-VAMGGRTRSA-N 2 1 327.516 3.291 20 0 EGADMP C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531468 462430683 /nfs/dbraw/zinc/43/06/83/462430683.db2.gz KISTZWXVIFPSLS-SFHVURJKSA-N 2 1 331.504 3.236 20 0 EGADMP C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658211856 462431173 /nfs/dbraw/zinc/43/11/73/462431173.db2.gz HRCQWAAUWLFQFX-LPHOPBHVSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658211856 462431175 /nfs/dbraw/zinc/43/11/75/462431175.db2.gz HRCQWAAUWLFQFX-LPHOPBHVSA-N 2 1 338.499 3.298 20 0 EGADMP Cc1ccnc(-c2noc(C[N@H+](C)CCCC[NH+]3CCCCC3)n2)c1 ZINC000640533059 462431735 /nfs/dbraw/zinc/43/17/35/462431735.db2.gz BEVBUZAHMGEKIW-UHFFFAOYSA-N 2 1 343.475 3.138 20 0 EGADMP Cc1ccnc(-c2noc(C[N@@H+](C)CCCC[NH+]3CCCCC3)n2)c1 ZINC000640533059 462431739 /nfs/dbraw/zinc/43/17/39/462431739.db2.gz BEVBUZAHMGEKIW-UHFFFAOYSA-N 2 1 343.475 3.138 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCC(C)(C)[NH3+])cc1 ZINC000649288217 462468518 /nfs/dbraw/zinc/46/85/18/462468518.db2.gz DBTQKWNKHSTVSA-INIZCTEOSA-N 2 1 331.504 3.195 20 0 EGADMP FC1(F)C[C@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCN2C1 ZINC000645936263 462474068 /nfs/dbraw/zinc/47/40/68/462474068.db2.gz PHQZJMWITFTXCZ-IBGZPJMESA-N 2 1 349.469 3.198 20 0 EGADMP FC1(F)C[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCN2C1 ZINC000645936263 462474071 /nfs/dbraw/zinc/47/40/71/462474071.db2.gz PHQZJMWITFTXCZ-IBGZPJMESA-N 2 1 349.469 3.198 20 0 EGADMP Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000649411918 462502401 /nfs/dbraw/zinc/50/24/01/462502401.db2.gz URAXALQPXQMHJU-LJQANCHMSA-N 2 1 326.488 3.490 20 0 EGADMP CC[N@@H+](CCCC1CC[NH2+]CC1)CC1CCN(c2ccccn2)CC1 ZINC000649413905 462503271 /nfs/dbraw/zinc/50/32/71/462503271.db2.gz RGSXCPUKXWAEEW-UHFFFAOYSA-N 2 1 344.547 3.400 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(Cl)c3cccnc13)CCO2 ZINC000646104031 462518818 /nfs/dbraw/zinc/51/88/18/462518818.db2.gz WQZSLSJAEUSTTI-UHFFFAOYSA-N 2 1 345.874 3.185 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(Cl)c3cccnc13)CCO2 ZINC000646104031 462518819 /nfs/dbraw/zinc/51/88/19/462518819.db2.gz WQZSLSJAEUSTTI-UHFFFAOYSA-N 2 1 345.874 3.185 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(-c2ccncc2)c1 ZINC000178523134 533847281 /nfs/dbraw/zinc/84/72/81/533847281.db2.gz VUDKQHQEFUVICR-KRWDZBQOSA-N 2 1 339.483 3.246 20 0 EGADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000153815019 534428111 /nfs/dbraw/zinc/42/81/11/534428111.db2.gz LKMHFMOLVJKOGN-OAQYLSRUSA-N 2 1 342.458 3.156 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000184090360 534446028 /nfs/dbraw/zinc/44/60/28/534446028.db2.gz GBVZIHBIRREZLQ-KEYYUXOJSA-N 2 1 346.450 3.127 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCO[C@@H](C4CC4)C3)CC2)cc1 ZINC000155113815 534487536 /nfs/dbraw/zinc/48/75/36/534487536.db2.gz ROUBIGXJMAOTGX-LEWJYISDSA-N 2 1 328.500 3.241 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)[C@H](C)C1 ZINC000174628797 527801964 /nfs/dbraw/zinc/80/19/64/527801964.db2.gz UXSFNEGOCQWCJH-CZUORRHYSA-N 2 1 330.394 3.448 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000173907241 527818764 /nfs/dbraw/zinc/81/87/64/527818764.db2.gz ALTCORODJGVVSO-HNNXBMFYSA-N 2 1 330.394 3.401 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000173907241 527818770 /nfs/dbraw/zinc/81/87/70/527818770.db2.gz ALTCORODJGVVSO-HNNXBMFYSA-N 2 1 330.394 3.401 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000173907241 527818772 /nfs/dbraw/zinc/81/87/72/527818772.db2.gz ALTCORODJGVVSO-HNNXBMFYSA-N 2 1 330.394 3.401 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000173907241 527818777 /nfs/dbraw/zinc/81/87/77/527818777.db2.gz ALTCORODJGVVSO-HNNXBMFYSA-N 2 1 330.394 3.401 20 0 EGADMP CCOc1ccc([C@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)cc1 ZINC000154541551 528605979 /nfs/dbraw/zinc/60/59/79/528605979.db2.gz YGKREKIEZNMSDJ-SFHVURJKSA-N 2 1 333.520 3.154 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000346286628 535173790 /nfs/dbraw/zinc/17/37/90/535173790.db2.gz RFEVYMNDUZIJBC-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000346286628 535173792 /nfs/dbraw/zinc/17/37/92/535173792.db2.gz RFEVYMNDUZIJBC-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000346286628 535173793 /nfs/dbraw/zinc/17/37/93/535173793.db2.gz RFEVYMNDUZIJBC-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(O)cc2)[C@@H](C)C1 ZINC000268826837 535527386 /nfs/dbraw/zinc/52/73/86/535527386.db2.gz BEDGRBDOIWEWIZ-QKLQHJQFSA-N 2 1 334.504 3.050 20 0 EGADMP CCOC[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000093839443 546688097 /nfs/dbraw/zinc/68/80/97/546688097.db2.gz QBGFLACPMHITOJ-IBGZPJMESA-N 2 1 332.488 3.020 20 0 EGADMP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H]1CCCOC1 ZINC000119816423 546709604 /nfs/dbraw/zinc/70/96/04/546709604.db2.gz OTDHBWILYLSKHJ-LJQANCHMSA-N 2 1 332.488 3.020 20 0 EGADMP COCC[N@H+](C)CCC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000153788807 546884454 /nfs/dbraw/zinc/88/44/54/546884454.db2.gz ZQQXOUYBYNDQRS-HNNXBMFYSA-N 2 1 328.909 3.435 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000153788807 546884459 /nfs/dbraw/zinc/88/44/59/546884459.db2.gz ZQQXOUYBYNDQRS-HNNXBMFYSA-N 2 1 328.909 3.435 20 0 EGADMP Fc1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)cc1 ZINC000166290244 546988576 /nfs/dbraw/zinc/98/85/76/546988576.db2.gz HOMPOABNAHLMFJ-RBUKOAKNSA-N 2 1 332.463 3.090 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000180645598 547058624 /nfs/dbraw/zinc/05/86/24/547058624.db2.gz ONEMDZNSHVHFDO-PZJWPPBQSA-N 2 1 340.442 3.169 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH2+]CCCCn1cc[nH+]c1C)CC2 ZINC000279970109 547369080 /nfs/dbraw/zinc/36/90/80/547369080.db2.gz CYDRVUQWQNEESN-QGZVFWFLSA-N 2 1 329.444 3.266 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccnn1-c1ccccc1 ZINC000281161974 547376762 /nfs/dbraw/zinc/37/67/62/547376762.db2.gz BMWWERDNHUOFAE-ZWKOTPCHSA-N 2 1 342.487 3.024 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccnn1-c1ccccc1 ZINC000281161974 547376765 /nfs/dbraw/zinc/37/67/65/547376765.db2.gz BMWWERDNHUOFAE-ZWKOTPCHSA-N 2 1 342.487 3.024 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(N2CCCC2=O)c1 ZINC000339069667 547569548 /nfs/dbraw/zinc/56/95/48/547569548.db2.gz UKLOOZDXJHOYPM-SZMVWBNQSA-N 2 1 327.472 3.091 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(N2CCCC2=O)c1 ZINC000339069667 547569551 /nfs/dbraw/zinc/56/95/51/547569551.db2.gz UKLOOZDXJHOYPM-SZMVWBNQSA-N 2 1 327.472 3.091 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000348353773 547628596 /nfs/dbraw/zinc/62/85/96/547628596.db2.gz IOCHGBAAAXUPCA-XKQJLSEDSA-N 2 1 327.428 3.173 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC(F)(F)F ZINC000374535647 547809847 /nfs/dbraw/zinc/80/98/47/547809847.db2.gz HWSZWQQXEPBLBC-MRXNPFEDSA-N 2 1 344.421 3.456 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC(F)(F)F ZINC000374535647 547809848 /nfs/dbraw/zinc/80/98/48/547809848.db2.gz HWSZWQQXEPBLBC-MRXNPFEDSA-N 2 1 344.421 3.456 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000414304174 547855770 /nfs/dbraw/zinc/85/57/70/547855770.db2.gz XNKUOPVPXBKLLO-JBACZVJFSA-N 2 1 342.458 3.327 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000414304174 547855777 /nfs/dbraw/zinc/85/57/77/547855777.db2.gz XNKUOPVPXBKLLO-JBACZVJFSA-N 2 1 342.458 3.327 20 0 EGADMP C[C@H](C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)C(C)(C)C ZINC000670263761 548192587 /nfs/dbraw/zinc/19/25/87/548192587.db2.gz VFZYPXFWJBKACN-LJQANCHMSA-N 2 1 331.548 3.418 20 0 EGADMP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000674391651 548746098 /nfs/dbraw/zinc/74/60/98/548746098.db2.gz VLOLRRZAWKZWNT-BVYCBKJFSA-N 2 1 338.495 3.357 20 0 EGADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000674391651 548746101 /nfs/dbraw/zinc/74/61/01/548746101.db2.gz VLOLRRZAWKZWNT-BVYCBKJFSA-N 2 1 338.495 3.357 20 0 EGADMP C[C@@H]1[C@H](c2ccccc2)CC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000674391651 548746103 /nfs/dbraw/zinc/74/61/03/548746103.db2.gz VLOLRRZAWKZWNT-BVYCBKJFSA-N 2 1 338.495 3.357 20 0 EGADMP C[C@@H]1[C@H](c2ccccc2)CC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000674391651 548746106 /nfs/dbraw/zinc/74/61/06/548746106.db2.gz VLOLRRZAWKZWNT-BVYCBKJFSA-N 2 1 338.495 3.357 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000675883260 548996623 /nfs/dbraw/zinc/99/66/23/548996623.db2.gz ZDRNYDNWXJOHRU-LAUBAEHRSA-N 2 1 346.515 3.249 20 0 EGADMP c1ccc([C@H](C[NH+]2CCCCC2)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000677237098 549235518 /nfs/dbraw/zinc/23/55/18/549235518.db2.gz ASBJXIBTUOAEGD-NJYVYQBISA-N 2 1 327.516 3.430 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)c1ccccc1 ZINC000678762841 549555467 /nfs/dbraw/zinc/55/54/67/549555467.db2.gz PPPUQNGNJBWRLI-RXVVDRJESA-N 2 1 340.511 3.435 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)c1ccccc1 ZINC000678762841 549555469 /nfs/dbraw/zinc/55/54/69/549555469.db2.gz PPPUQNGNJBWRLI-RXVVDRJESA-N 2 1 340.511 3.435 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(CO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000678929323 549597293 /nfs/dbraw/zinc/59/72/93/549597293.db2.gz KQDVABWMVLLSSK-GCJKJVERSA-N 2 1 338.495 3.364 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(CO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000678929323 549597297 /nfs/dbraw/zinc/59/72/97/549597297.db2.gz KQDVABWMVLLSSK-GCJKJVERSA-N 2 1 338.495 3.364 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)CCCCO)CC2)cs1 ZINC000679340222 549691495 /nfs/dbraw/zinc/69/14/95/549691495.db2.gz NDQDPIJOHBENFW-HNNXBMFYSA-N 2 1 339.549 3.058 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CCCO1 ZINC000680352972 549854408 /nfs/dbraw/zinc/85/44/08/549854408.db2.gz WKCVQYFDZDXCLV-YNWKUBOOSA-N 2 1 328.500 3.444 20 0 EGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](Cc2ccccc2Cl)c2ccccc2)C1 ZINC000680827480 549915402 /nfs/dbraw/zinc/91/54/02/549915402.db2.gz YLCLFLVTYXJKGL-UXHICEINSA-N 2 1 344.886 3.280 20 0 EGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](Cc2ccccc2Cl)c2ccccc2)C1 ZINC000680827480 549915404 /nfs/dbraw/zinc/91/54/04/549915404.db2.gz YLCLFLVTYXJKGL-UXHICEINSA-N 2 1 344.886 3.280 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCC(F)(F)CC1 ZINC000682731761 550137911 /nfs/dbraw/zinc/13/79/11/550137911.db2.gz HXAPAIOOIMTXGE-RHSMWYFYSA-N 2 1 330.463 3.433 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000685444652 550417406 /nfs/dbraw/zinc/41/74/06/550417406.db2.gz RJTZVGVLWAWNGZ-UHFFFAOYSA-N 2 1 348.531 3.023 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000685451853 550417788 /nfs/dbraw/zinc/41/77/88/550417788.db2.gz ZOEQABDLWWZPKK-FQEVSTJZSA-N 2 1 325.456 3.359 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cscc1Cl ZINC000685455876 550418148 /nfs/dbraw/zinc/41/81/48/550418148.db2.gz AFJSFPBAVDMOJB-OAHLLOKOSA-N 2 1 329.941 3.249 20 0 EGADMP C[N@@H+](C/C=C\c1ccc(F)c(F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457217 550418738 /nfs/dbraw/zinc/41/87/38/550418738.db2.gz LNRZMXLEHITBSQ-JXCVUKRWSA-N 2 1 349.469 3.078 20 0 EGADMP c1ccc2ncc(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)cc2c1 ZINC000727463527 574669089 /nfs/dbraw/zinc/66/90/89/574669089.db2.gz BXQJGHMLJVDZDK-UHFFFAOYSA-N 2 1 347.462 3.357 20 0 EGADMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000729266397 574834810 /nfs/dbraw/zinc/83/48/10/574834810.db2.gz ZQIYCWLOSJKEKW-UHFFFAOYSA-N 2 1 331.504 3.196 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000731871999 575214424 /nfs/dbraw/zinc/21/44/24/575214424.db2.gz VQZVQHZVWUMMJB-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CCCC[NH+]2CCCC2)c1 ZINC000732117087 575238861 /nfs/dbraw/zinc/23/88/61/575238861.db2.gz BIPWGZDDIYVUOF-UHFFFAOYSA-N 2 1 345.531 3.409 20 0 EGADMP Fc1ccccc1COc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000678342897 576167175 /nfs/dbraw/zinc/16/71/75/576167175.db2.gz GBQNJFOSVDVKRZ-ROUUACIJSA-N 2 1 326.415 3.056 20 0 EGADMP C[N@H+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000741252577 576668867 /nfs/dbraw/zinc/66/88/67/576668867.db2.gz RBFJPDYQMVVVJL-BBRMVZONSA-N 2 1 330.394 3.012 20 0 EGADMP C[N@@H+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000741252577 576668868 /nfs/dbraw/zinc/66/88/68/576668868.db2.gz RBFJPDYQMVVVJL-BBRMVZONSA-N 2 1 330.394 3.012 20 0 EGADMP C[NH+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000741252577 576668870 /nfs/dbraw/zinc/66/88/70/576668870.db2.gz RBFJPDYQMVVVJL-BBRMVZONSA-N 2 1 330.394 3.012 20 0 EGADMP C[NH+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000741252577 576668872 /nfs/dbraw/zinc/66/88/72/576668872.db2.gz RBFJPDYQMVVVJL-BBRMVZONSA-N 2 1 330.394 3.012 20 0 EGADMP COc1cccc(C[NH+]2CCC(Nc3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000052486561 1291706429 /nfs/dbraw/zinc/70/64/29/1291706429.db2.gz NAWTVFAUJSZQJZ-UHFFFAOYSA-N 2 1 326.444 3.179 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc(F)c3)c2)CCO1 ZINC000063524693 1292015109 /nfs/dbraw/zinc/01/51/09/1292015109.db2.gz YEGVDEYQACNEDU-INIZCTEOSA-N 2 1 328.431 3.336 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(F)c3)c2)CCO1 ZINC000063524693 1292015119 /nfs/dbraw/zinc/01/51/19/1292015119.db2.gz YEGVDEYQACNEDU-INIZCTEOSA-N 2 1 328.431 3.336 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000063917633 1292030966 /nfs/dbraw/zinc/03/09/66/1292030966.db2.gz XAKBQHDLWLFUPU-ZDUSSCGKSA-N 2 1 326.868 3.179 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000063917633 1292030974 /nfs/dbraw/zinc/03/09/74/1292030974.db2.gz XAKBQHDLWLFUPU-ZDUSSCGKSA-N 2 1 326.868 3.179 20 0 EGADMP O[C@@H](C[NH2+]Cc1ccc(-c2ccccc2F)s1)C[NH+]1CCCC1 ZINC000065274767 1292078175 /nfs/dbraw/zinc/07/81/75/1292078175.db2.gz RBAVPUFREVILCK-AWEZNQCLSA-N 2 1 334.460 3.101 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000067222617 1292153982 /nfs/dbraw/zinc/15/39/82/1292153982.db2.gz KQRZBPGOAWKNNO-GOSISDBHSA-N 2 1 339.483 3.482 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000067222617 1292153988 /nfs/dbraw/zinc/15/39/88/1292153988.db2.gz KQRZBPGOAWKNNO-GOSISDBHSA-N 2 1 339.483 3.482 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC)c2OC(F)F)C1 ZINC000067223075 1292154743 /nfs/dbraw/zinc/15/47/43/1292154743.db2.gz GGUUZJQWPGJZOT-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC)c2OC(F)F)C1 ZINC000067223075 1292154746 /nfs/dbraw/zinc/15/47/46/1292154746.db2.gz GGUUZJQWPGJZOT-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000073079447 1292304266 /nfs/dbraw/zinc/30/42/66/1292304266.db2.gz RYCUQLWACJHAHK-NRFANRHFSA-N 2 1 345.531 3.042 20 0 EGADMP FC(F)(F)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000076763236 1292441601 /nfs/dbraw/zinc/44/16/01/1292441601.db2.gz JOMFRZVGWQAJHI-OAHLLOKOSA-N 2 1 342.405 3.296 20 0 EGADMP CC(C)Oc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000076763122 1292441625 /nfs/dbraw/zinc/44/16/25/1292441625.db2.gz NFRPKOVVDHTCKH-SFHVURJKSA-N 2 1 332.488 3.064 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000098173191 1292965570 /nfs/dbraw/zinc/96/55/70/1292965570.db2.gz IXMAORLXFVUBFB-ICSRJNTNSA-N 2 1 332.488 3.066 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]C2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000123184623 1293436778 /nfs/dbraw/zinc/43/67/78/1293436778.db2.gz RHZSWQRPHSDUAJ-UHFFFAOYSA-N 2 1 335.923 3.203 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000136299341 1293814626 /nfs/dbraw/zinc/81/46/26/1293814626.db2.gz OKWSDLJOXUBFJI-LJQANCHMSA-N 2 1 340.471 3.017 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000136299341 1293814630 /nfs/dbraw/zinc/81/46/30/1293814630.db2.gz OKWSDLJOXUBFJI-LJQANCHMSA-N 2 1 340.471 3.017 20 0 EGADMP CC[NH+](CC)CCCC1CC[NH+](Cn2c3ccccc3oc2=O)CC1 ZINC000181456693 1294970651 /nfs/dbraw/zinc/97/06/51/1294970651.db2.gz DWESFSPGRJARIT-UHFFFAOYSA-N 2 1 345.487 3.386 20 0 EGADMP CCCCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1(C)C ZINC000181851840 1294996778 /nfs/dbraw/zinc/99/67/78/1294996778.db2.gz XLYKKBJCLIFSMM-MOPGFXCFSA-N 2 1 340.552 3.449 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])CC3)cc2)C1 ZINC000870866446 1296121174 /nfs/dbraw/zinc/12/11/74/1296121174.db2.gz WHEMDKYOAUHKPL-SZMVWBNQSA-N 2 1 329.488 3.375 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC[NH2+]CC2CC2)cc1 ZINC000870867964 1296121396 /nfs/dbraw/zinc/12/13/96/1296121396.db2.gz PZSJFEPXXCDFEF-MRXNPFEDSA-N 2 1 329.488 3.389 20 0 EGADMP COc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1OC(F)F ZINC000237321387 1296234650 /nfs/dbraw/zinc/23/46/50/1296234650.db2.gz OHIOXMBUSAJWBM-UHFFFAOYSA-N 2 1 328.403 3.259 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cccc(O)c3F)CC2)nc(C)[nH+]1 ZINC000872043423 1296690883 /nfs/dbraw/zinc/69/08/83/1296690883.db2.gz YDCVOSAAYUBSCD-ZDUSSCGKSA-N 2 1 344.434 3.258 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(C(F)(F)F)co3)C2)C1 ZINC000872145655 1296767325 /nfs/dbraw/zinc/76/73/25/1296767325.db2.gz VWIOQYDXWWGASW-NJZAAPMLSA-N 2 1 332.366 3.017 20 0 EGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(C(F)(F)F)co3)CC2)C1 ZINC000872145835 1296768025 /nfs/dbraw/zinc/76/80/25/1296768025.db2.gz WRCLAOYLUAPLBB-HIFRSBDPSA-N 2 1 332.366 3.017 20 0 EGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2)C1)C1CCCC1 ZINC000872157835 1296777619 /nfs/dbraw/zinc/77/76/19/1296777619.db2.gz RJYGKEQCHYSOAN-VQIMIIECSA-N 2 1 329.488 3.245 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000299985787 1296778171 /nfs/dbraw/zinc/77/81/71/1296778171.db2.gz KWJAQXKNZJTUMV-XHSDSOJGSA-N 2 1 327.513 3.142 20 0 EGADMP CC(C)Oc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000305126632 1296983208 /nfs/dbraw/zinc/98/32/08/1296983208.db2.gz INDYYXKHSWBPFT-VQTJNVASSA-N 2 1 346.515 3.331 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3ccccc3o2)CC1 ZINC000305185987 1296993215 /nfs/dbraw/zinc/99/32/15/1296993215.db2.gz XEFNVXOURGVDOX-RTBURBONSA-N 2 1 328.456 3.290 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000310078375 1297088767 /nfs/dbraw/zinc/08/87/67/1297088767.db2.gz YFOWRLIFZWFEAY-MRXNPFEDSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+]1CCC(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000310402348 1297095107 /nfs/dbraw/zinc/09/51/07/1297095107.db2.gz NLSZUWLSMYIQBC-NRFANRHFSA-N 3 1 329.532 3.220 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@@H](c2ccccc2)C1 ZINC000326806544 1297241864 /nfs/dbraw/zinc/24/18/64/1297241864.db2.gz CKGFDNKBBRCMTE-RKFFNLMFSA-N 2 1 328.500 3.412 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[C@@H](c2ccccc2)C1 ZINC000326806544 1297241873 /nfs/dbraw/zinc/24/18/73/1297241873.db2.gz CKGFDNKBBRCMTE-RKFFNLMFSA-N 2 1 328.500 3.412 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)[C@@H](n2cncn2)C1 ZINC000340465264 1297313810 /nfs/dbraw/zinc/31/38/10/1297313810.db2.gz HJWAVMVDHSIVHN-OWSLCNJRSA-N 2 1 333.524 3.108 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)[C@@H](n2cncn2)C1 ZINC000340465264 1297313823 /nfs/dbraw/zinc/31/38/23/1297313823.db2.gz HJWAVMVDHSIVHN-OWSLCNJRSA-N 2 1 333.524 3.108 20 0 EGADMP C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873204317 1297350069 /nfs/dbraw/zinc/35/00/69/1297350069.db2.gz CVCZREPBZSEWSF-KBXCAEBGSA-N 2 1 328.481 3.356 20 0 EGADMP C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873204317 1297350081 /nfs/dbraw/zinc/35/00/81/1297350081.db2.gz CVCZREPBZSEWSF-KBXCAEBGSA-N 2 1 328.481 3.356 20 0 EGADMP C[C@@H](c1ccsc1)N1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873209772 1297351821 /nfs/dbraw/zinc/35/18/21/1297351821.db2.gz QOYZCQBDVYTRCW-AWEZNQCLSA-N 2 1 347.553 3.334 20 0 EGADMP Cn1nnc2cc(C[N@H+]3CCC[C@@H](C[C@@H]([NH3+])C4CCCC4)C3)ccc21 ZINC000873232003 1297373954 /nfs/dbraw/zinc/37/39/54/1297373954.db2.gz IWAFGSLSQCQKGA-MAUKXSAKSA-N 2 1 341.503 3.088 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000379878579 1297542529 /nfs/dbraw/zinc/54/25/29/1297542529.db2.gz TVRULGBXICOCAE-OXJNMPFZSA-N 2 1 326.488 3.291 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000379878579 1297542539 /nfs/dbraw/zinc/54/25/39/1297542539.db2.gz TVRULGBXICOCAE-OXJNMPFZSA-N 2 1 326.488 3.291 20 0 EGADMP CCC(CC)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC000393933312 1297674203 /nfs/dbraw/zinc/67/42/03/1297674203.db2.gz MEMRNILLPARQPZ-HOTGVXAUSA-N 2 1 339.524 3.286 20 0 EGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400328787 1297729835 /nfs/dbraw/zinc/72/98/35/1297729835.db2.gz CFJCJYQLHMPGTJ-HZPDHXFCSA-N 2 1 341.540 3.342 20 0 EGADMP CC(C)[C@H](C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C)[C@@H](C)[NH3+] ZINC000404373750 1297751428 /nfs/dbraw/zinc/75/14/28/1297751428.db2.gz SKNPELMXKVGMEJ-ZIVNCQHPSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C12CCC2 ZINC000404542245 1297756117 /nfs/dbraw/zinc/75/61/17/1297756117.db2.gz RGVMZHXESSLASH-LTIDMASMSA-N 2 1 349.519 3.039 20 0 EGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000687673263 1298120213 /nfs/dbraw/zinc/12/02/13/1298120213.db2.gz SBRDPTRUIIDMON-QAETUUGQSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000687673263 1298120219 /nfs/dbraw/zinc/12/02/19/1298120219.db2.gz SBRDPTRUIIDMON-QAETUUGQSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699213535 1298169660 /nfs/dbraw/zinc/16/96/60/1298169660.db2.gz ZBLHIDQGCGIFKU-LBFURVHYSA-N 2 1 327.516 3.113 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+][C@H](C3CCC3)[C@H]3CCOC3)CC2)cc1 ZINC000711888325 1298261356 /nfs/dbraw/zinc/26/13/56/1298261356.db2.gz OHPPIGUIQJSCII-PZJWPPBQSA-N 2 1 328.500 3.446 20 0 EGADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000713058175 1298268263 /nfs/dbraw/zinc/26/82/63/1298268263.db2.gz KQDKGKTYRAWMAG-PKOBYXMFSA-N 2 1 345.531 3.119 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000715394513 1298279940 /nfs/dbraw/zinc/27/99/40/1298279940.db2.gz OEWCVLYAHPVEEZ-RZXSNQJFSA-N 2 1 328.500 3.444 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)CC2)cc1 ZINC000723947654 1298342755 /nfs/dbraw/zinc/34/27/55/1298342755.db2.gz MAHMGKOTSZNDBY-CTNGQTDRSA-N 2 1 328.500 3.446 20 0 EGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CCCC1 ZINC000724029352 1298345323 /nfs/dbraw/zinc/34/53/23/1298345323.db2.gz PXPXLVZBBVPHPJ-JKSUJKDBSA-N 2 1 339.524 3.144 20 0 EGADMP C[N@H+](CC[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000724030380 1298345371 /nfs/dbraw/zinc/34/53/71/1298345371.db2.gz SUVCUIDUKLFCFK-HZPDHXFCSA-N 2 1 339.524 3.144 20 0 EGADMP C[N@@H+](CC[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000724030380 1298345376 /nfs/dbraw/zinc/34/53/76/1298345376.db2.gz SUVCUIDUKLFCFK-HZPDHXFCSA-N 2 1 339.524 3.144 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000724068609 1298347085 /nfs/dbraw/zinc/34/70/85/1298347085.db2.gz MHAATZLMZMEYJY-BRWVUGGUSA-N 2 1 339.524 3.001 20 0 EGADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000876781119 1298983836 /nfs/dbraw/zinc/98/38/36/1298983836.db2.gz CWLNSMQBLCODJD-BEFAXECRSA-N 2 1 335.923 3.106 20 0 EGADMP Cc1c(Cl)cccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000876781119 1298983850 /nfs/dbraw/zinc/98/38/50/1298983850.db2.gz CWLNSMQBLCODJD-BEFAXECRSA-N 2 1 335.923 3.106 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000749600609 1299243054 /nfs/dbraw/zinc/24/30/54/1299243054.db2.gz XZBJEPWTZJEWAG-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000878197275 1299813705 /nfs/dbraw/zinc/81/37/05/1299813705.db2.gz MNGUJNHOGLTYQM-MISYRCLQSA-N 2 1 343.515 3.153 20 0 EGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000878197275 1299813716 /nfs/dbraw/zinc/81/37/16/1299813716.db2.gz MNGUJNHOGLTYQM-MISYRCLQSA-N 2 1 343.515 3.153 20 0 EGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000878197275 1299813727 /nfs/dbraw/zinc/81/37/27/1299813727.db2.gz MNGUJNHOGLTYQM-MISYRCLQSA-N 2 1 343.515 3.153 20 0 EGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000878197275 1299813739 /nfs/dbraw/zinc/81/37/39/1299813739.db2.gz MNGUJNHOGLTYQM-MISYRCLQSA-N 2 1 343.515 3.153 20 0 EGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000878197277 1299816229 /nfs/dbraw/zinc/81/62/29/1299816229.db2.gz MNGUJNHOGLTYQM-SXLOBPIMSA-N 2 1 343.515 3.153 20 0 EGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000878197277 1299816242 /nfs/dbraw/zinc/81/62/42/1299816242.db2.gz MNGUJNHOGLTYQM-SXLOBPIMSA-N 2 1 343.515 3.153 20 0 EGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000878197277 1299816258 /nfs/dbraw/zinc/81/62/58/1299816258.db2.gz MNGUJNHOGLTYQM-SXLOBPIMSA-N 2 1 343.515 3.153 20 0 EGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000878197277 1299816271 /nfs/dbraw/zinc/81/62/71/1299816271.db2.gz MNGUJNHOGLTYQM-SXLOBPIMSA-N 2 1 343.515 3.153 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3cccc4ccccc43)CC[C@H]21 ZINC000879575425 1300610875 /nfs/dbraw/zinc/61/08/75/1300610875.db2.gz KUKYFOWWFWQRNM-FXAWDEMLSA-N 2 1 337.467 3.194 20 0 EGADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3cccc4ccccc43)CC[C@H]21 ZINC000879575425 1300610879 /nfs/dbraw/zinc/61/08/79/1300610879.db2.gz KUKYFOWWFWQRNM-FXAWDEMLSA-N 2 1 337.467 3.194 20 0 EGADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3cccc4ccccc43)CC[C@H]21 ZINC000879575425 1300610885 /nfs/dbraw/zinc/61/08/85/1300610885.db2.gz KUKYFOWWFWQRNM-FXAWDEMLSA-N 2 1 337.467 3.194 20 0 EGADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3cccc4ccccc43)CC[C@H]21 ZINC000879575425 1300610887 /nfs/dbraw/zinc/61/08/87/1300610887.db2.gz KUKYFOWWFWQRNM-FXAWDEMLSA-N 2 1 337.467 3.194 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000759133854 1301021840 /nfs/dbraw/zinc/02/18/40/1301021840.db2.gz FXUNJWZMNBGAFW-MRXNPFEDSA-N 2 1 341.540 3.391 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CC3(CC3)C(=O)O2)CC1)CC(C)C ZINC000763732599 1301953259 /nfs/dbraw/zinc/95/32/59/1301953259.db2.gz LXENVLQXWQQURC-GOSISDBHSA-N 2 1 336.520 3.162 20 0 EGADMP CCc1nc2c(s1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC000765975816 1302362048 /nfs/dbraw/zinc/36/20/48/1302362048.db2.gz KUMNFXFMVKZWDR-JKSUJKDBSA-N 2 1 349.544 3.316 20 0 EGADMP c1ccc2c(c1)CCSC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765978317 1302363889 /nfs/dbraw/zinc/36/38/89/1302363889.db2.gz UKTFIFWSYNRSOZ-ICSRJNTNSA-N 2 1 346.540 3.250 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC3(CCOCC3)Oc3ccccc32)[C@H](C)C1 ZINC000883383703 1302424753 /nfs/dbraw/zinc/42/47/53/1302424753.db2.gz DSWVWIPOUIYYCI-NEWSRXKRSA-N 2 1 344.499 3.379 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC3(CCOCC3)Oc3ccccc32)[C@H](C)C1 ZINC000883383703 1302424759 /nfs/dbraw/zinc/42/47/59/1302424759.db2.gz DSWVWIPOUIYYCI-NEWSRXKRSA-N 2 1 344.499 3.379 20 0 EGADMP C[NH2+][C@@H](CC(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000884218334 1302774047 /nfs/dbraw/zinc/77/40/47/1302774047.db2.gz LRGDSWCDBURQEU-RLLQIKCJSA-N 2 1 345.531 3.132 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc3cccc(OC)c3o2)C1 ZINC000769514334 1303133375 /nfs/dbraw/zinc/13/33/75/1303133375.db2.gz JJXWAMCWWYFDPK-QGZVFWFLSA-N 2 1 346.471 3.374 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CC[N@H+](C)C1CCCC1)NC(=O)OC(C)(C)C ZINC000769688289 1303158913 /nfs/dbraw/zinc/15/89/13/1303158913.db2.gz OXHDEMKRVUUUMU-LSDHHAIUSA-N 2 1 327.513 3.142 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CC[N@@H+](C)C1CCCC1)NC(=O)OC(C)(C)C ZINC000769688289 1303158916 /nfs/dbraw/zinc/15/89/16/1303158916.db2.gz OXHDEMKRVUUUMU-LSDHHAIUSA-N 2 1 327.513 3.142 20 0 EGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3ccccc3C)c2C)C1 ZINC000885924495 1303278882 /nfs/dbraw/zinc/27/88/82/1303278882.db2.gz RELIUPDXGFRMRP-GOSISDBHSA-N 2 1 326.488 3.229 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3ccccc3C)c2C)C1 ZINC000885924495 1303278884 /nfs/dbraw/zinc/27/88/84/1303278884.db2.gz RELIUPDXGFRMRP-GOSISDBHSA-N 2 1 326.488 3.229 20 0 EGADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCc3c4cc(F)ccc4[nH]c32)CC1 ZINC000886511499 1303481147 /nfs/dbraw/zinc/48/11/47/1303481147.db2.gz VLCPDJUKBGKJQK-LJQANCHMSA-N 2 1 345.462 3.121 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000775374903 1303948450 /nfs/dbraw/zinc/94/84/50/1303948450.db2.gz HOZMTKQJLVJWKS-QBPKDAKJSA-N 2 1 328.591 3.468 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccco1 ZINC000781421369 1304825151 /nfs/dbraw/zinc/82/51/51/1304825151.db2.gz QDDWNPNKHYJOCT-UAFMIMERSA-N 2 1 340.467 3.203 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCS(=O)CC1 ZINC000892580560 1305452187 /nfs/dbraw/zinc/45/21/87/1305452187.db2.gz MJVUOWGUNVENTM-WYTFLKLQSA-N 2 1 334.529 3.062 20 0 EGADMP FC(F)(F)Oc1cccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000892606781 1305466563 /nfs/dbraw/zinc/46/65/63/1305466563.db2.gz CYOILSGFNOIBHQ-CABCVRRESA-N 2 1 328.378 3.344 20 0 EGADMP Cn1ncc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000892739968 1305531486 /nfs/dbraw/zinc/53/14/86/1305531486.db2.gz KHQUHQGQWZKXIM-SFHVURJKSA-N 2 1 338.499 3.299 20 0 EGADMP Cn1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000892739968 1305531499 /nfs/dbraw/zinc/53/14/99/1305531499.db2.gz KHQUHQGQWZKXIM-SFHVURJKSA-N 2 1 338.499 3.299 20 0 EGADMP Fc1ccc(CC[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1F ZINC000893345917 1305842553 /nfs/dbraw/zinc/84/25/53/1305842553.db2.gz ZPOVIUOKWVXGSD-UHFFFAOYSA-N 2 1 338.442 3.132 20 0 EGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788575941 1305973819 /nfs/dbraw/zinc/97/38/19/1305973819.db2.gz DVEWELARHZCZPU-AIEDFZFUSA-N 2 1 340.920 3.346 20 0 EGADMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788575941 1305973834 /nfs/dbraw/zinc/97/38/34/1305973834.db2.gz DVEWELARHZCZPU-AIEDFZFUSA-N 2 1 340.920 3.346 20 0 EGADMP C[NH+]1CCC(C[N@@H+](CCCOc2ccccc2)C2CCOCC2)CC1 ZINC000893622702 1305991282 /nfs/dbraw/zinc/99/12/82/1305991282.db2.gz GYBFBVORWGRFSU-UHFFFAOYSA-N 2 1 346.515 3.278 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ocnc3C)CC2)cs1 ZINC000894262862 1306308631 /nfs/dbraw/zinc/30/86/31/1306308631.db2.gz XVEBAUDCRZETKY-UHFFFAOYSA-N 2 1 334.489 3.004 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)CC[N@@H+](C)C2CCCCC2)cc1F ZINC000791134335 1308927026 /nfs/dbraw/zinc/92/70/26/1308927026.db2.gz WOFUKSZFKNATNJ-UHFFFAOYSA-N 2 1 335.467 3.480 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)CC1 ZINC000894847670 1309099026 /nfs/dbraw/zinc/09/90/26/1309099026.db2.gz DOAFMSAXMCYQFU-OAHLLOKOSA-N 2 1 334.426 3.009 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)n(C)n1 ZINC000793524705 1309393316 /nfs/dbraw/zinc/39/33/16/1309393316.db2.gz HKWYWRLPHZUVGM-HZPDHXFCSA-N 2 1 332.517 3.353 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)n(C)n1 ZINC000793524705 1309393328 /nfs/dbraw/zinc/39/33/28/1309393328.db2.gz HKWYWRLPHZUVGM-HZPDHXFCSA-N 2 1 332.517 3.353 20 0 EGADMP CCn1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC000895693443 1309469769 /nfs/dbraw/zinc/46/97/69/1309469769.db2.gz CQKBJIQMIPBIEF-LPHOPBHVSA-N 2 1 326.488 3.069 20 0 EGADMP C[C@H](CC[NH2+]CC1CCC2(CC1)OCCO2)[N@@H+](C)Cc1ccccc1 ZINC000795934305 1309865081 /nfs/dbraw/zinc/86/50/81/1309865081.db2.gz IKUNASGURJRZNT-GOSISDBHSA-N 2 1 346.515 3.420 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798955764 1310463097 /nfs/dbraw/zinc/46/30/97/1310463097.db2.gz WIHYTHUFSNJUDL-FQEVSTJZSA-N 2 1 332.488 3.078 20 0 EGADMP CSc1ccc(NC(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000799178511 1310499716 /nfs/dbraw/zinc/49/97/16/1310499716.db2.gz XUPKTSPOOXPLSG-UHFFFAOYSA-N 2 1 347.528 3.155 20 0 EGADMP C[NH+]1CCC2(CCC[N@H+](CC(=O)Nc3ccccc3Cl)C2)CC1 ZINC000799179031 1310500758 /nfs/dbraw/zinc/50/07/58/1310500758.db2.gz YUYJVFCPIVBGAX-UHFFFAOYSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)Nc3ccccc3Cl)C2)CC1 ZINC000799179031 1310500765 /nfs/dbraw/zinc/50/07/65/1310500765.db2.gz YUYJVFCPIVBGAX-UHFFFAOYSA-N 2 1 335.879 3.086 20 0 EGADMP CC[NH+](CC)CCOc1cccc(NCc2c[nH+]c3n2CCC3)c1 ZINC000898703288 1310826813 /nfs/dbraw/zinc/82/68/13/1310826813.db2.gz KIIBGALHVLCFFK-UHFFFAOYSA-N 2 1 328.460 3.162 20 0 EGADMP C[N@@H+](CCCCNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)C1CC1 ZINC000857283745 1328526366 /nfs/dbraw/zinc/52/63/66/1328526366.db2.gz WUGQEVJUYKYJHN-IBGZPJMESA-N 2 1 343.515 3.100 20 0 EGADMP C[NH+](CCCCNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)C1CC1 ZINC000857283745 1328526368 /nfs/dbraw/zinc/52/63/68/1328526368.db2.gz WUGQEVJUYKYJHN-IBGZPJMESA-N 2 1 343.515 3.100 20 0 EGADMP C[NH+](CCCCNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)C1CC1 ZINC000857283745 1328526370 /nfs/dbraw/zinc/52/63/70/1328526370.db2.gz WUGQEVJUYKYJHN-IBGZPJMESA-N 2 1 343.515 3.100 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001018967324 1316987871 /nfs/dbraw/zinc/98/78/71/1316987871.db2.gz ABFXRJSWIBJMBF-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CC2=CCCCC2)C1 ZINC000957132009 1317204118 /nfs/dbraw/zinc/20/41/18/1317204118.db2.gz HCAPCOHGKINSFM-RTBURBONSA-N 2 1 347.547 3.140 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC001020029274 1317508537 /nfs/dbraw/zinc/50/85/37/1317508537.db2.gz ZZLRKAQZRXEJFE-CPLYBDICSA-N 2 1 349.563 3.170 20 0 EGADMP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957636091 1317510988 /nfs/dbraw/zinc/51/09/88/1317510988.db2.gz XPAHYBJKVYJHTN-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001020288606 1317627961 /nfs/dbraw/zinc/62/79/61/1317627961.db2.gz FFRUWUKKWQSPOZ-WTGUMLROSA-N 2 1 347.547 3.211 20 0 EGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)N1CCc2sccc2C1 ZINC000903082634 1317649588 /nfs/dbraw/zinc/64/95/88/1317649588.db2.gz UIZKWWLMMUYNFB-DJXYKJKZSA-N 2 1 345.556 3.242 20 0 EGADMP CC(C)(C)OC(=O)N(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CC1 ZINC000903088052 1317650828 /nfs/dbraw/zinc/65/08/28/1317650828.db2.gz IHIUAWJMIOWIBF-DODVFSASSA-N 2 1 349.519 3.133 20 0 EGADMP CC(=O)OCc1cccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000903098828 1317651824 /nfs/dbraw/zinc/65/18/24/1317651824.db2.gz APMOXENKZXAJNS-OAHLLOKOSA-N 2 1 329.444 3.386 20 0 EGADMP COc1cccc2c1OCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903118274 1317657706 /nfs/dbraw/zinc/65/77/06/1317657706.db2.gz GXASFHIRAKKGRC-NZZOQPFGSA-N 2 1 328.456 3.266 20 0 EGADMP COc1cccc2c1OCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903118274 1317657713 /nfs/dbraw/zinc/65/77/13/1317657713.db2.gz GXASFHIRAKKGRC-NZZOQPFGSA-N 2 1 328.456 3.266 20 0 EGADMP CCN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)CCC(F)(F)F ZINC000903161710 1317665379 /nfs/dbraw/zinc/66/53/79/1317665379.db2.gz VTUSRDOPPJAMTA-VHRNVKJDSA-N 2 1 333.442 3.008 20 0 EGADMP c1cncc([C@@H]2C[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CCO2)c1 ZINC000903185288 1317669206 /nfs/dbraw/zinc/66/92/06/1317669206.db2.gz CUIGKLNSHXHNHE-MWDBYQCVSA-N 2 1 327.472 3.049 20 0 EGADMP c1cc([C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CCO2)ccn1 ZINC000903186452 1317669914 /nfs/dbraw/zinc/66/99/14/1317669914.db2.gz KRDLZOGNOPBQLU-NSEAXLEKSA-N 2 1 327.472 3.049 20 0 EGADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903214086 1317675220 /nfs/dbraw/zinc/67/52/20/1317675220.db2.gz SBLFSIAVKBRGNR-URCKKDGRSA-N 2 1 349.519 3.037 20 0 EGADMP c1cn(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c2ccccc2)cn1 ZINC000903220561 1317676205 /nfs/dbraw/zinc/67/62/05/1317676205.db2.gz MRQUWCLIGSMGDQ-VCYXJBJXSA-N 2 1 336.483 3.372 20 0 EGADMP c1cn(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c2ccccc2)cn1 ZINC000903220561 1317676211 /nfs/dbraw/zinc/67/62/11/1317676211.db2.gz MRQUWCLIGSMGDQ-VCYXJBJXSA-N 2 1 336.483 3.372 20 0 EGADMP c1csc(C[C@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000903565404 1317707628 /nfs/dbraw/zinc/70/76/28/1317707628.db2.gz JLLWLYXFZAZYJG-OAHLLOKOSA-N 2 1 327.497 3.244 20 0 EGADMP CCOc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903717899 1317724143 /nfs/dbraw/zinc/72/41/43/1317724143.db2.gz FOAQPEAADMZYSC-UXHICEINSA-N 2 1 344.499 3.381 20 0 EGADMP C[N@H+](Cc1ccccc1C(F)(F)F)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903723248 1317724747 /nfs/dbraw/zinc/72/47/47/1317724747.db2.gz GLIXYKXVJUIUKL-OAHLLOKOSA-N 2 1 342.405 3.296 20 0 EGADMP Clc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903727966 1317726178 /nfs/dbraw/zinc/72/61/78/1317726178.db2.gz ZZPICNGQUUYJLO-LNLFQRSKSA-N 2 1 334.891 3.116 20 0 EGADMP C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903734717 1317726846 /nfs/dbraw/zinc/72/68/46/1317726846.db2.gz VERBSBRTWYOSOL-QHAWAJNXSA-N 2 1 328.500 3.100 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCc2ccc(Cl)cc21 ZINC000903765405 1317731326 /nfs/dbraw/zinc/73/13/26/1317731326.db2.gz ZMOALBODKUVYBE-LJHODMEESA-N 2 1 334.891 3.070 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001020502905 1317732241 /nfs/dbraw/zinc/73/22/41/1317732241.db2.gz XBQLSIODICSMGE-QWFCFKBJSA-N 2 1 347.547 3.211 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1c1ccccc1 ZINC000903782001 1317732964 /nfs/dbraw/zinc/73/29/64/1317732964.db2.gz CUFRRQAMBLYQAI-MISYRCLQSA-N 2 1 328.500 3.271 20 0 EGADMP Cc1c(C[C@H](C[NH3+])C[N@H+](C)Cc2ccc(C(C)C)cc2)cnn1C ZINC000903873779 1317740820 /nfs/dbraw/zinc/74/08/20/1317740820.db2.gz XLSNPSZFLNSHFF-GOSISDBHSA-N 2 1 328.504 3.101 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000904320960 1317830830 /nfs/dbraw/zinc/83/08/30/1317830830.db2.gz SDWUPRZXHIQVFB-GIVPXCGWSA-N 2 1 329.532 3.361 20 0 EGADMP CCOc1cc(C[NH2+]CC2([NH3+])CC2)ccc1OCc1ccccc1 ZINC000904448541 1317848330 /nfs/dbraw/zinc/84/83/30/1317848330.db2.gz AVZSPODGDDHBCU-UHFFFAOYSA-N 2 1 326.440 3.245 20 0 EGADMP CC[C@H](C)C[C@@H]([NH3+])c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000904603161 1317867306 /nfs/dbraw/zinc/86/73/06/1317867306.db2.gz CRBCGPWDNVBAFZ-DZGCQCFKSA-N 2 1 332.448 3.113 20 0 EGADMP [NH3+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000904635429 1317873391 /nfs/dbraw/zinc/87/33/91/1317873391.db2.gz ABDWFLDVRSLLAU-KRWDZBQOSA-N 2 1 330.476 3.064 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000809735523 1317882849 /nfs/dbraw/zinc/88/28/49/1317882849.db2.gz JRFLPCOOROMPQR-BZUAXINKSA-N 2 1 346.462 3.064 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001020719774 1317885964 /nfs/dbraw/zinc/88/59/64/1317885964.db2.gz QLXDISYNNBNROU-LWYYNNOASA-N 2 1 347.547 3.211 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3occc3Br)C2)CC1 ZINC000809757068 1317894481 /nfs/dbraw/zinc/89/44/81/1317894481.db2.gz WDMCFXBWYYUVHU-ZDUSSCGKSA-N 2 1 327.266 3.206 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001021094735 1318079509 /nfs/dbraw/zinc/07/95/09/1318079509.db2.gz ZWXXLVWYQHCWKG-LEAZDLGRSA-N 2 1 343.515 3.167 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001021096238 1318079742 /nfs/dbraw/zinc/07/97/42/1318079742.db2.gz KARXYFAHKDIHRL-GUDVDZBRSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906589949 1318121057 /nfs/dbraw/zinc/12/10/57/1318121057.db2.gz FPFXDKIKKAAYPB-HRQSHJORSA-N 2 1 345.506 3.172 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001021274408 1318167493 /nfs/dbraw/zinc/16/74/93/1318167493.db2.gz WTUQYMCQVQBYKX-IPQPSQTFSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001021274408 1318167499 /nfs/dbraw/zinc/16/74/99/1318167499.db2.gz WTUQYMCQVQBYKX-IPQPSQTFSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001021274408 1318167505 /nfs/dbraw/zinc/16/75/05/1318167505.db2.gz WTUQYMCQVQBYKX-IPQPSQTFSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000811516632 1318194342 /nfs/dbraw/zinc/19/43/42/1318194342.db2.gz ZMAYTSFHQPTEQZ-GVDBMIGSSA-N 2 1 341.540 3.483 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000811516632 1318194348 /nfs/dbraw/zinc/19/43/48/1318194348.db2.gz ZMAYTSFHQPTEQZ-GVDBMIGSSA-N 2 1 341.540 3.483 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(C)C ZINC001021434527 1318248801 /nfs/dbraw/zinc/24/88/01/1318248801.db2.gz KCLUQWJQFFTOPT-RAFMOHDBSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001021434527 1318248809 /nfs/dbraw/zinc/24/88/09/1318248809.db2.gz KCLUQWJQFFTOPT-RAFMOHDBSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001021434527 1318248819 /nfs/dbraw/zinc/24/88/19/1318248819.db2.gz KCLUQWJQFFTOPT-RAFMOHDBSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC001021435164 1318249481 /nfs/dbraw/zinc/24/94/81/1318249481.db2.gz YTZDBTXTSRNMQC-XVLXNVKGSA-N 2 1 335.536 3.161 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001021435164 1318249492 /nfs/dbraw/zinc/24/94/92/1318249492.db2.gz YTZDBTXTSRNMQC-XVLXNVKGSA-N 2 1 335.536 3.161 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001021435164 1318249500 /nfs/dbraw/zinc/24/95/00/1318249500.db2.gz YTZDBTXTSRNMQC-XVLXNVKGSA-N 2 1 335.536 3.161 20 0 EGADMP CC[N@H+](CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)C(C)C ZINC000812718211 1318444009 /nfs/dbraw/zinc/44/40/09/1318444009.db2.gz IJZSWULUCHYGSS-IRXDYDNUSA-N 2 1 341.540 3.342 20 0 EGADMP CC[N@@H+](CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)C(C)C ZINC000812718211 1318444014 /nfs/dbraw/zinc/44/40/14/1318444014.db2.gz IJZSWULUCHYGSS-IRXDYDNUSA-N 2 1 341.540 3.342 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000858490760 1328777589 /nfs/dbraw/zinc/77/75/89/1328777589.db2.gz NMOMSJKDAJWZLL-HZPDHXFCSA-N 2 1 331.460 3.026 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CC2CC(C)(C)C2)CC[N@H+]1C ZINC000960646430 1318765302 /nfs/dbraw/zinc/76/53/02/1318765302.db2.gz YLUUBQDGTWCVIU-GBESFXJTSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[N@H+](C)CC2CC(C)(C)C2)CC[NH+]1C ZINC000960646430 1318765307 /nfs/dbraw/zinc/76/53/07/1318765307.db2.gz YLUUBQDGTWCVIU-GBESFXJTSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CC(C)(C)C2)CC[NH+]1C ZINC000960646430 1318765312 /nfs/dbraw/zinc/76/53/12/1318765312.db2.gz YLUUBQDGTWCVIU-GBESFXJTSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000960664772 1318780655 /nfs/dbraw/zinc/78/06/55/1318780655.db2.gz LPPUZPRNSXXSMG-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC000960664772 1318780667 /nfs/dbraw/zinc/78/06/67/1318780667.db2.gz LPPUZPRNSXXSMG-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC000960664772 1318780679 /nfs/dbraw/zinc/78/06/79/1318780679.db2.gz LPPUZPRNSXXSMG-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)cs1 ZINC001022201902 1318840549 /nfs/dbraw/zinc/84/05/49/1318840549.db2.gz NTUPHMXPZVMFHM-FGTMMUONSA-N 2 1 349.544 3.056 20 0 EGADMP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)cs1 ZINC001022201907 1318841312 /nfs/dbraw/zinc/84/13/12/1318841312.db2.gz NTUPHMXPZVMFHM-KSZLIROESA-N 2 1 349.544 3.056 20 0 EGADMP CC(C)c1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001022293547 1318880958 /nfs/dbraw/zinc/88/09/58/1318880958.db2.gz UZUSYLLAHMYTIG-NSHGMRRFSA-N 2 1 343.515 3.031 20 0 EGADMP O[C@H]1CCC[NH+](CCCCCCCC[N@@H+]2CCC[C@H](O)CC2)CC1 ZINC000815297170 1318950614 /nfs/dbraw/zinc/95/06/14/1318950614.db2.gz RQVDMEYTWALOLJ-PMACEKPBSA-N 2 1 340.552 3.021 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001022806926 1319118989 /nfs/dbraw/zinc/11/89/89/1319118989.db2.gz DFIQHRUXKKPUPR-VWAQSERHSA-N 2 1 349.563 3.312 20 0 EGADMP CC[N@H+](CCC1CC[NH+](Cc2cnn(C)c2Cl)CC1)CC1CC1 ZINC000816527904 1319176250 /nfs/dbraw/zinc/17/62/50/1319176250.db2.gz DRCLENXDHMRPCM-UHFFFAOYSA-N 2 1 338.927 3.408 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cnn(C)c2Cl)CC1)CC1CC1 ZINC000816527904 1319176254 /nfs/dbraw/zinc/17/62/54/1319176254.db2.gz DRCLENXDHMRPCM-UHFFFAOYSA-N 2 1 338.927 3.408 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001023130873 1319276225 /nfs/dbraw/zinc/27/62/25/1319276225.db2.gz KAROTXGKBAEPTM-FTEYMNFISA-N 2 1 343.515 3.167 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961189308 1319305073 /nfs/dbraw/zinc/30/50/73/1319305073.db2.gz ZCEFJLPCGMVZTK-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900004 1319455589 /nfs/dbraw/zinc/45/55/89/1319455589.db2.gz JMQBPNDHQLRXDQ-GHOZHQTGSA-N 2 1 329.532 3.332 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2Br)c2ccccc21 ZINC000817936285 1319465234 /nfs/dbraw/zinc/46/52/34/1319465234.db2.gz RJPRNUDRSBGQQR-ZACQAIPSSA-N 2 1 347.256 3.217 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000817948885 1319473618 /nfs/dbraw/zinc/47/36/18/1319473618.db2.gz LZYRPGWZTHCLGW-AVRDEDQJSA-N 3 1 337.511 3.188 20 0 EGADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)nnn1-c1ccc(C)cc1 ZINC000817949960 1319475392 /nfs/dbraw/zinc/47/53/92/1319475392.db2.gz UXVSYYALOJQMRX-MRXNPFEDSA-N 2 1 349.482 3.236 20 0 EGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000817957320 1319476614 /nfs/dbraw/zinc/47/66/14/1319476614.db2.gz AQUUZHUZAAHJRZ-DNVCBOLYSA-N 2 1 329.488 3.372 20 0 EGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817981225 1319485125 /nfs/dbraw/zinc/48/51/25/1319485125.db2.gz HPPROPNKFMGWSY-KDOFPFPSSA-N 2 1 331.460 3.201 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CC3CCCCCC3)C2)CC[N@H+]1C ZINC001023377537 1319485806 /nfs/dbraw/zinc/48/58/06/1319485806.db2.gz PKBXXNHUQIQWSZ-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001023377537 1319485810 /nfs/dbraw/zinc/48/58/10/1319485810.db2.gz PKBXXNHUQIQWSZ-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001023377537 1319485813 /nfs/dbraw/zinc/48/58/13/1319485813.db2.gz PKBXXNHUQIQWSZ-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023402841 1319510552 /nfs/dbraw/zinc/51/05/52/1319510552.db2.gz UPQVXLZYMUPYKZ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001023402841 1319510560 /nfs/dbraw/zinc/51/05/60/1319510560.db2.gz UPQVXLZYMUPYKZ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001023402841 1319510568 /nfs/dbraw/zinc/51/05/68/1319510568.db2.gz UPQVXLZYMUPYKZ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961364323 1319520389 /nfs/dbraw/zinc/52/03/89/1319520389.db2.gz CHVVIPHSGKKQRK-PMACEKPBSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000961364323 1319520395 /nfs/dbraw/zinc/52/03/95/1319520395.db2.gz CHVVIPHSGKKQRK-PMACEKPBSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000961364323 1319520400 /nfs/dbraw/zinc/52/04/00/1319520400.db2.gz CHVVIPHSGKKQRK-PMACEKPBSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000818233257 1319524601 /nfs/dbraw/zinc/52/46/01/1319524601.db2.gz FKCXNJVAPOENSZ-MWDXBVQZSA-N 2 1 337.508 3.039 20 0 EGADMP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961374147 1319528838 /nfs/dbraw/zinc/52/88/38/1319528838.db2.gz JRHKBKCQAPCQBD-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC000961381968 1319537872 /nfs/dbraw/zinc/53/78/72/1319537872.db2.gz DSRYDQIEPQLEHY-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC000961381968 1319537877 /nfs/dbraw/zinc/53/78/77/1319537877.db2.gz DSRYDQIEPQLEHY-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC000961381968 1319537882 /nfs/dbraw/zinc/53/78/82/1319537882.db2.gz DSRYDQIEPQLEHY-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000819275176 1319686356 /nfs/dbraw/zinc/68/63/56/1319686356.db2.gz RPSAUPZAIGBWNM-PXNSSMCTSA-N 2 1 344.886 3.485 20 0 EGADMP CCCC[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023770469 1319920991 /nfs/dbraw/zinc/92/09/91/1319920991.db2.gz ZZXXMBAWXZQRMR-QGZVFWFLSA-N 2 1 349.519 3.363 20 0 EGADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1COC2(CCCCCC2)O1 ZINC000820836365 1319965841 /nfs/dbraw/zinc/96/58/41/1319965841.db2.gz QAMQMWBXHNPKSZ-ZCTYVAAUSA-N 2 1 334.504 3.200 20 0 EGADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CC1 ZINC000825331693 1320328223 /nfs/dbraw/zinc/32/82/23/1320328223.db2.gz LTDQFVSPNCDIOV-MRXNPFEDSA-N 2 1 339.524 3.240 20 0 EGADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)CC1 ZINC000825331693 1320328227 /nfs/dbraw/zinc/32/82/27/1320328227.db2.gz LTDQFVSPNCDIOV-MRXNPFEDSA-N 2 1 339.524 3.240 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)C[C@H]([NH3+])C1CC1)C1CCCCC1 ZINC000827498219 1320457052 /nfs/dbraw/zinc/45/70/52/1320457052.db2.gz GZQCZPBBOVXWTJ-FQEVSTJZSA-N 2 1 343.515 3.195 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000827602500 1320461827 /nfs/dbraw/zinc/46/18/27/1320461827.db2.gz WQYNBJNXNCZYGW-OAGGEKHMSA-N 2 1 348.362 3.061 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C)c1 ZINC000840721460 1321135085 /nfs/dbraw/zinc/13/50/85/1321135085.db2.gz CLAMIDOSUUBBRT-VQIMIIECSA-N 2 1 332.488 3.298 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000840807820 1321152901 /nfs/dbraw/zinc/15/29/01/1321152901.db2.gz GODJICXUIKAHNX-CVEARBPZSA-N 2 1 331.460 3.026 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(Br)ncc1F ZINC000840810382 1321153930 /nfs/dbraw/zinc/15/39/30/1321153930.db2.gz SUBQJEPKFUOMLS-VXGBXAGGSA-N 2 1 344.272 3.366 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C1 ZINC000841039131 1321207179 /nfs/dbraw/zinc/20/71/79/1321207179.db2.gz BUUNOXIWHCOCID-OAGGEKHMSA-N 2 1 346.462 3.241 20 0 EGADMP COC(=O)c1ccc(F)c(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859213665 1328948330 /nfs/dbraw/zinc/94/83/30/1328948330.db2.gz YRPYRQIJKVRPJK-UHFFFAOYSA-N 2 1 344.430 3.306 20 0 EGADMP COC(=O)c1ccc(F)c(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859213665 1328948333 /nfs/dbraw/zinc/94/83/33/1328948333.db2.gz YRPYRQIJKVRPJK-UHFFFAOYSA-N 2 1 344.430 3.306 20 0 EGADMP COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000842473229 1321392903 /nfs/dbraw/zinc/39/29/03/1321392903.db2.gz RJPOZKNVJVXGEM-GOSISDBHSA-N 2 1 347.503 3.316 20 0 EGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000842475998 1321393560 /nfs/dbraw/zinc/39/35/60/1321393560.db2.gz DAOVZDXGBXAUEL-QGZVFWFLSA-N 2 1 333.524 3.093 20 0 EGADMP Fc1cccc(C[N@H+]2CCC[C@@H](c3nc([C@H]4CCC[NH2+]C4)no3)C2)c1 ZINC000842669441 1321415841 /nfs/dbraw/zinc/41/58/41/1321415841.db2.gz OXDPQAPYOXJMLD-JKSUJKDBSA-N 2 1 344.434 3.055 20 0 EGADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC([NH3+])CC2)c2ccccc2S1 ZINC000843354057 1321505214 /nfs/dbraw/zinc/50/52/14/1321505214.db2.gz VBBLLXLDUBOXAJ-QQFBHYJXSA-N 2 1 347.528 3.106 20 0 EGADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc2ccccc2c1 ZINC000843387075 1321509698 /nfs/dbraw/zinc/50/96/98/1321509698.db2.gz DUPJHNUMJLNQTE-MOPGFXCFSA-N 2 1 337.467 3.100 20 0 EGADMP Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CCCCCCC[NH3+])cn1 ZINC000844221312 1321580150 /nfs/dbraw/zinc/58/01/50/1321580150.db2.gz CJWXANCJILGPMD-IBGZPJMESA-N 2 1 332.467 3.490 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NC2CC(C[NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC000962534880 1321990955 /nfs/dbraw/zinc/99/09/55/1321990955.db2.gz AYXMCFIUCATCCO-VIQWUECVSA-N 2 1 349.563 3.029 20 0 EGADMP CC(C)CCC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CCc2ccccc2C1 ZINC000849060937 1322062711 /nfs/dbraw/zinc/06/27/11/1322062711.db2.gz VWOBCNPRUALGCW-KRWDZBQOSA-N 2 1 330.520 3.373 20 0 EGADMP CC(C)CCC[C@H](C)NC(=[NH2+])NCC[N@H+]1CCc2ccccc2C1 ZINC000849060937 1322062713 /nfs/dbraw/zinc/06/27/13/1322062713.db2.gz VWOBCNPRUALGCW-KRWDZBQOSA-N 2 1 330.520 3.373 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849083140 1322070753 /nfs/dbraw/zinc/07/07/53/1322070753.db2.gz JQBHHIXDIWBTQF-LBPRGKRZSA-N 2 1 330.354 3.006 20 0 EGADMP CCOc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C)c1 ZINC000850134564 1322196677 /nfs/dbraw/zinc/19/66/77/1322196677.db2.gz ALWHQYDBGFGOPH-HXUWFJFHSA-N 2 1 332.488 3.127 20 0 EGADMP Cc1cccc2[nH]c(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cc21 ZINC000850135815 1322197833 /nfs/dbraw/zinc/19/78/33/1322197833.db2.gz QUSAJXCIZXUSOP-GOSISDBHSA-N 2 1 327.472 3.209 20 0 EGADMP Cc1ncc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n1C ZINC000850217971 1322208743 /nfs/dbraw/zinc/20/87/43/1322208743.db2.gz SCWPWKBMTOVICY-UHFFFAOYSA-N 2 1 341.503 3.119 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000930962729 1329016558 /nfs/dbraw/zinc/01/65/58/1329016558.db2.gz UBGOAQBHBMQTJG-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)Oc1cccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000922388504 1322516496 /nfs/dbraw/zinc/51/64/96/1322516496.db2.gz QUELUAQIHGCVSP-CGXNFDGLSA-N 2 1 346.515 3.043 20 0 EGADMP Cc1nn(C)c(Cl)c1[C@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923311749 1322731783 /nfs/dbraw/zinc/73/17/83/1322731783.db2.gz VRJFNKLFBXEABY-WTXIUTQJSA-N 2 1 336.911 3.440 20 0 EGADMP CC(C)(C)c1csc([C@@H]2CCCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923323510 1322733721 /nfs/dbraw/zinc/73/37/21/1322733721.db2.gz HMYOSFWRVXWOEQ-CABCVRRESA-N 2 1 349.544 3.346 20 0 EGADMP CC(C)(C)c1csc([C@@H]2CCCC[N@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923323510 1322733725 /nfs/dbraw/zinc/73/37/25/1322733725.db2.gz HMYOSFWRVXWOEQ-CABCVRRESA-N 2 1 349.544 3.346 20 0 EGADMP C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)[C@@H]1CCC[NH3+] ZINC000923386644 1322743978 /nfs/dbraw/zinc/74/39/78/1322743978.db2.gz ADKBBBXSMBKMRL-JLZZUVOBSA-N 2 1 328.859 3.352 20 0 EGADMP CC(C)CCc1noc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)n1 ZINC000923504632 1322764374 /nfs/dbraw/zinc/76/43/74/1322764374.db2.gz CIDKFYXXXLCPOS-INIZCTEOSA-N 2 1 334.508 3.260 20 0 EGADMP Brc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c2ncccc12 ZINC000923522358 1322768636 /nfs/dbraw/zinc/76/86/36/1322768636.db2.gz UXHQTMGMFNLOOY-GXTWGEPZSA-N 2 1 346.272 3.039 20 0 EGADMP Brc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c2ncccc12 ZINC000923522358 1322768640 /nfs/dbraw/zinc/76/86/40/1322768640.db2.gz UXHQTMGMFNLOOY-GXTWGEPZSA-N 2 1 346.272 3.039 20 0 EGADMP C[C@@]1(Cc2cc(Cl)cs2)CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000923532023 1322770385 /nfs/dbraw/zinc/77/03/85/1322770385.db2.gz XLNFDIOGOZFMOU-HOCLYGCPSA-N 2 1 340.920 3.320 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001023892191 1323009128 /nfs/dbraw/zinc/00/91/28/1323009128.db2.gz XXKXUCLMSGAZQC-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1 ZINC001024018481 1323080926 /nfs/dbraw/zinc/08/09/26/1323080926.db2.gz ORHLITFKSCCZDU-ZWKOTPCHSA-N 2 1 343.515 3.060 20 0 EGADMP CC1(C)OC[C@H](C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)O1 ZINC000851812287 1323097003 /nfs/dbraw/zinc/09/70/03/1323097003.db2.gz DLOAPWVHBQYRAF-AABGKKOBSA-N 2 1 344.499 3.124 20 0 EGADMP CC1(C)OC[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)O1 ZINC000851812287 1323097012 /nfs/dbraw/zinc/09/70/12/1323097012.db2.gz DLOAPWVHBQYRAF-AABGKKOBSA-N 2 1 344.499 3.124 20 0 EGADMP CC1(C)OC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)O1 ZINC000851812287 1323097023 /nfs/dbraw/zinc/09/70/23/1323097023.db2.gz DLOAPWVHBQYRAF-AABGKKOBSA-N 2 1 344.499 3.124 20 0 EGADMP CC1(C)OC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)O1 ZINC000851812287 1323097025 /nfs/dbraw/zinc/09/70/25/1323097025.db2.gz DLOAPWVHBQYRAF-AABGKKOBSA-N 2 1 344.499 3.124 20 0 EGADMP C[C@@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cc(CO)on1 ZINC000924670390 1323104443 /nfs/dbraw/zinc/10/44/43/1323104443.db2.gz ZPGAMIWHCUACQO-JKSUJKDBSA-N 2 1 343.471 3.250 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1COC(C)(C)O1 ZINC000851948534 1323120418 /nfs/dbraw/zinc/12/04/18/1323120418.db2.gz WWAZNWPSNPIYDH-QRQLOZEOSA-N 2 1 332.488 3.028 20 0 EGADMP C[C@@H](Cc1ccccn1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000924778607 1323159087 /nfs/dbraw/zinc/15/90/87/1323159087.db2.gz VCHVAMVJDWDKPB-ROUUACIJSA-N 2 1 339.483 3.023 20 0 EGADMP C[C@@H](Cc1ccccn1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000924778607 1323159094 /nfs/dbraw/zinc/15/90/94/1323159094.db2.gz VCHVAMVJDWDKPB-ROUUACIJSA-N 2 1 339.483 3.023 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000924854097 1323188328 /nfs/dbraw/zinc/18/83/28/1323188328.db2.gz RRZVZKYGODEKQN-SJLPKXTDSA-N 2 1 325.456 3.350 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc2c1OCO2 ZINC000924863087 1323191682 /nfs/dbraw/zinc/19/16/82/1323191682.db2.gz UOZJEHUEVXAAPF-OAHLLOKOSA-N 2 1 342.439 3.207 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001024186241 1323197703 /nfs/dbraw/zinc/19/77/03/1323197703.db2.gz NTPALXLTPWHDDY-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000852604343 1323215588 /nfs/dbraw/zinc/21/55/88/1323215588.db2.gz QBIUVTAVTDRWGO-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000852604343 1323215592 /nfs/dbraw/zinc/21/55/92/1323215592.db2.gz QBIUVTAVTDRWGO-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000852604343 1323215599 /nfs/dbraw/zinc/21/55/99/1323215599.db2.gz QBIUVTAVTDRWGO-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000852604343 1323215612 /nfs/dbraw/zinc/21/56/12/1323215612.db2.gz QBIUVTAVTDRWGO-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP COc1ccnc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000924938371 1323221493 /nfs/dbraw/zinc/22/14/93/1323221493.db2.gz LEXQSCQOHCKHLE-HKUYNNGSSA-N 2 1 339.483 3.305 20 0 EGADMP COc1ccnc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000924938371 1323221504 /nfs/dbraw/zinc/22/15/04/1323221504.db2.gz LEXQSCQOHCKHLE-HKUYNNGSSA-N 2 1 339.483 3.305 20 0 EGADMP CS[C@@H](CO)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925109366 1323285611 /nfs/dbraw/zinc/28/56/11/1323285611.db2.gz DMFDCSUMUDVTFG-VNVJMFPYSA-N 2 1 348.556 3.274 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024469652 1323424180 /nfs/dbraw/zinc/42/41/80/1323424180.db2.gz VGPOFGTWWFFLLM-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001024469652 1323424189 /nfs/dbraw/zinc/42/41/89/1323424189.db2.gz VGPOFGTWWFFLLM-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CC(C)(C)C1 ZINC001024469652 1323424194 /nfs/dbraw/zinc/42/41/94/1323424194.db2.gz VGPOFGTWWFFLLM-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCCC1 ZINC001024513427 1323463747 /nfs/dbraw/zinc/46/37/47/1323463747.db2.gz PTCCGYKDCCDACS-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC1CCCC1 ZINC001024513427 1323463752 /nfs/dbraw/zinc/46/37/52/1323463752.db2.gz PTCCGYKDCCDACS-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCC1CCCC1 ZINC001024513427 1323463758 /nfs/dbraw/zinc/46/37/58/1323463758.db2.gz PTCCGYKDCCDACS-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP O=C(NC[C@@H]1CCCC[N@H+]1CC1CC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024617462 1323545949 /nfs/dbraw/zinc/54/59/49/1323545949.db2.gz GYHJSKJAJUSYNV-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCCC[NH+]1CC1CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617462 1323545955 /nfs/dbraw/zinc/54/59/55/1323545955.db2.gz GYHJSKJAJUSYNV-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCCC[NH+]1CC1CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617462 1323545959 /nfs/dbraw/zinc/54/59/59/1323545959.db2.gz GYHJSKJAJUSYNV-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001024624597 1323552442 /nfs/dbraw/zinc/55/24/42/1323552442.db2.gz VVEOKSBMXVVROS-QGZVFWFLSA-N 2 1 349.519 3.362 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CCCC[N@H+]1CCC(C)(C)C ZINC001024624597 1323552445 /nfs/dbraw/zinc/55/24/45/1323552445.db2.gz VVEOKSBMXVVROS-QGZVFWFLSA-N 2 1 349.519 3.362 20 0 EGADMP CC[C@H](F)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711279 1323618914 /nfs/dbraw/zinc/61/89/14/1323618914.db2.gz IPNVLHURFZIHPW-OALUTQOASA-N 2 1 349.494 3.081 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024749765 1323652642 /nfs/dbraw/zinc/65/26/42/1323652642.db2.gz FNVXTMDKCGBZSD-HXUWFJFHSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC(C)(C)C ZINC001024812247 1323715843 /nfs/dbraw/zinc/71/58/43/1323715843.db2.gz MRPMWSVAMQCEFA-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001024812247 1323715848 /nfs/dbraw/zinc/71/58/48/1323715848.db2.gz MRPMWSVAMQCEFA-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC(C)(C)C ZINC001024812247 1323715849 /nfs/dbraw/zinc/71/58/49/1323715849.db2.gz MRPMWSVAMQCEFA-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814889 1323718630 /nfs/dbraw/zinc/71/86/30/1323718630.db2.gz YACKTOZYDCTZOX-MSOLQXFVSA-N 2 1 349.494 3.081 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001024962223 1323802422 /nfs/dbraw/zinc/80/24/22/1323802422.db2.gz LWRKOIJWONKHEY-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001024979676 1323812164 /nfs/dbraw/zinc/81/21/64/1323812164.db2.gz VOMDTLYXKWTTQY-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001024984650 1323813526 /nfs/dbraw/zinc/81/35/26/1323813526.db2.gz HSDAJIAJBKJYDB-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@@H](C)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931431840 1329115759 /nfs/dbraw/zinc/11/57/59/1329115759.db2.gz QOTBBPIWSBJZRH-IXDOHACOSA-N 2 1 329.488 3.021 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431840 1329115761 /nfs/dbraw/zinc/11/57/61/1329115761.db2.gz QOTBBPIWSBJZRH-IXDOHACOSA-N 2 1 329.488 3.021 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431840 1329115762 /nfs/dbraw/zinc/11/57/62/1329115762.db2.gz QOTBBPIWSBJZRH-IXDOHACOSA-N 2 1 329.488 3.021 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931431840 1329115766 /nfs/dbraw/zinc/11/57/66/1329115766.db2.gz QOTBBPIWSBJZRH-IXDOHACOSA-N 2 1 329.488 3.021 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931431840 1329115770 /nfs/dbraw/zinc/11/57/70/1329115770.db2.gz QOTBBPIWSBJZRH-IXDOHACOSA-N 2 1 329.488 3.021 20 0 EGADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001025056428 1323860708 /nfs/dbraw/zinc/86/07/08/1323860708.db2.gz OFMJXPRLNSEHOG-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(Cc3nc(-c4c(F)cccc4F)cs3)C[C@@H]2C1 ZINC000931437363 1329117334 /nfs/dbraw/zinc/11/73/34/1329117334.db2.gz RIKBBQMTOVHOSH-OLZOCXBDSA-N 2 1 349.450 3.472 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(Cc3nnc(-c4cccc5ccccc54)o3)C[C@@H]2C1 ZINC000931442190 1329118344 /nfs/dbraw/zinc/11/83/44/1329118344.db2.gz XGAYAIZGTHKILW-SJORKVTESA-N 2 1 348.450 3.273 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3nnc(-c4cccc5ccccc54)o3)C[C@@H]2C1 ZINC000931442190 1329118347 /nfs/dbraw/zinc/11/83/47/1329118347.db2.gz XGAYAIZGTHKILW-SJORKVTESA-N 2 1 348.450 3.273 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3nnc(-c4cccc5ccccc54)o3)C[C@@H]2C1 ZINC000931442190 1329118349 /nfs/dbraw/zinc/11/83/49/1329118349.db2.gz XGAYAIZGTHKILW-SJORKVTESA-N 2 1 348.450 3.273 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3nnc(-c4cccc5ccccc54)o3)C[C@@H]2C1 ZINC000931442190 1329118351 /nfs/dbraw/zinc/11/83/51/1329118351.db2.gz XGAYAIZGTHKILW-SJORKVTESA-N 2 1 348.450 3.273 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3nnc(-c4cccc5ccccc54)o3)C[C@@H]2C1 ZINC000931442190 1329118352 /nfs/dbraw/zinc/11/83/52/1329118352.db2.gz XGAYAIZGTHKILW-SJORKVTESA-N 2 1 348.450 3.273 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCCC2)C1 ZINC001025085903 1323886527 /nfs/dbraw/zinc/88/65/27/1323886527.db2.gz XEVPIQVJEHGDSL-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001025168763 1323937992 /nfs/dbraw/zinc/93/79/92/1323937992.db2.gz UQWGBJZJUDYKNZ-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)c1ccccc1F ZINC000859995313 1329124705 /nfs/dbraw/zinc/12/47/05/1329124705.db2.gz OOQOCGYXCPFQIP-FQEVSTJZSA-N 2 1 330.447 3.443 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258467 1324066591 /nfs/dbraw/zinc/06/65/91/1324066591.db2.gz GPLVNPSSRYWRQP-MSOLQXFVSA-N 2 1 347.503 3.210 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258467 1324066599 /nfs/dbraw/zinc/06/65/99/1324066599.db2.gz GPLVNPSSRYWRQP-MSOLQXFVSA-N 2 1 347.503 3.210 20 0 EGADMP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001025470620 1324317019 /nfs/dbraw/zinc/31/70/19/1324317019.db2.gz ZCNNVNZIYFIOSB-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025589361 1324433563 /nfs/dbraw/zinc/43/35/63/1324433563.db2.gz FIPBWJLCUDAJBO-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025627768 1324478598 /nfs/dbraw/zinc/47/85/98/1324478598.db2.gz LJGNCCLNQKAQGQ-YLJYHZDGSA-N 2 1 345.531 3.235 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001026528235 1324869786 /nfs/dbraw/zinc/86/97/86/1324869786.db2.gz AAHRQJUHMQYAGT-UHFFFAOYSA-N 2 1 346.519 3.179 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NC2CCC([NH2+]CC3CCCCCC3)CC2)C1 ZINC001026592662 1324918569 /nfs/dbraw/zinc/91/85/69/1324918569.db2.gz KQEUMQUMCAWHNC-XEVCZEQESA-N 2 1 349.563 3.316 20 0 EGADMP Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000925219588 1325084661 /nfs/dbraw/zinc/08/46/61/1325084661.db2.gz DTOJTZBKFMQYFM-AWEZNQCLSA-N 2 1 343.471 3.099 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963310265 1325094760 /nfs/dbraw/zinc/09/47/60/1325094760.db2.gz CWQAUNVLIMUYHJ-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963310265 1325094764 /nfs/dbraw/zinc/09/47/64/1325094764.db2.gz CWQAUNVLIMUYHJ-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000963310265 1325094769 /nfs/dbraw/zinc/09/47/69/1325094769.db2.gz CWQAUNVLIMUYHJ-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H](C[NH2+]CC3CCCCCC3)C2)CC[N@H+]1C ZINC001027021621 1325159115 /nfs/dbraw/zinc/15/91/15/1325159115.db2.gz RGGKTVNYFLJRCY-SXLOBPIMSA-N 2 1 349.563 3.125 20 0 EGADMP COc1cccc(Oc2ccc(C[NH2+][C@H]3C[C@@H]([NH3+])C34CCC4)cn2)c1 ZINC000925564611 1325211540 /nfs/dbraw/zinc/21/15/40/1325211540.db2.gz URZCYBOGLLWSDW-MSOLQXFVSA-N 2 1 339.439 3.242 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(-n3cnnc3)c2)C1 ZINC000925589586 1325223143 /nfs/dbraw/zinc/22/31/43/1325223143.db2.gz ZJQXDGDHOGUKDZ-MSOLQXFVSA-N 2 1 341.503 3.286 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)C12CCC2 ZINC000925627038 1325237360 /nfs/dbraw/zinc/23/73/60/1325237360.db2.gz VTRYWSPPEVUIRQ-RTBURBONSA-N 2 1 335.451 3.298 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001027163285 1325263653 /nfs/dbraw/zinc/26/36/53/1325263653.db2.gz BKROJSBIJIQPSE-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cn(C)cn1 ZINC000926137301 1325444088 /nfs/dbraw/zinc/44/40/88/1325444088.db2.gz SPVHMQVPWYLWNQ-OJAHFUOMSA-N 2 1 338.499 3.371 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cn(C)cn1 ZINC000926137301 1325444092 /nfs/dbraw/zinc/44/40/92/1325444092.db2.gz SPVHMQVPWYLWNQ-OJAHFUOMSA-N 2 1 338.499 3.371 20 0 EGADMP Cn1ccc(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000926169448 1325454574 /nfs/dbraw/zinc/45/45/74/1325454574.db2.gz DWIZRHSLYIEDFH-SEJPIABJSA-N 2 1 338.499 3.138 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC000964391491 1325503951 /nfs/dbraw/zinc/50/39/51/1325503951.db2.gz ATUPVFCWHGVUMM-UHFFFAOYSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)CC[N@H+]1C ZINC000857136035 1325577893 /nfs/dbraw/zinc/57/78/93/1325577893.db2.gz ZLTYBUHBZSYORS-LSTHTHJFSA-N 2 1 343.515 3.051 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)CC[NH+]1C ZINC000857136035 1325577898 /nfs/dbraw/zinc/57/78/98/1325577898.db2.gz ZLTYBUHBZSYORS-LSTHTHJFSA-N 2 1 343.515 3.051 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)CC[NH+]1C ZINC000857136035 1325577901 /nfs/dbraw/zinc/57/79/01/1325577901.db2.gz ZLTYBUHBZSYORS-LSTHTHJFSA-N 2 1 343.515 3.051 20 0 EGADMP C[N@@H+](CCCC[NH2+]C1CCN(OCc2ccccc2)CC1)C1CC1 ZINC000926560581 1327617729 /nfs/dbraw/zinc/61/77/29/1327617729.db2.gz RYXNOYNGJPKANE-UHFFFAOYSA-N 2 1 331.504 3.047 20 0 EGADMP C[NH+](CC1CCCCCC1)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001027441166 1327680601 /nfs/dbraw/zinc/68/06/01/1327680601.db2.gz ACUFXVIBDKVVQA-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCCC2)C1)C1CCC1 ZINC001027441166 1327680610 /nfs/dbraw/zinc/68/06/10/1327680610.db2.gz ACUFXVIBDKVVQA-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCCC2)C1)C1CCC1 ZINC001027441166 1327680618 /nfs/dbraw/zinc/68/06/18/1327680618.db2.gz ACUFXVIBDKVVQA-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH+](C)CC2CCCC2)C1 ZINC001027442149 1327682972 /nfs/dbraw/zinc/68/29/72/1327682972.db2.gz BQJUZBAGOHJFTL-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC001027442149 1327682979 /nfs/dbraw/zinc/68/29/79/1327682979.db2.gz BQJUZBAGOHJFTL-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027442149 1327682990 /nfs/dbraw/zinc/68/29/90/1327682990.db2.gz BQJUZBAGOHJFTL-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCC2)C1)[NH+](C)C ZINC001027451522 1327692950 /nfs/dbraw/zinc/69/29/50/1327692950.db2.gz CBBRJEVKLKDJQB-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP C[N@@H+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027464432 1327713487 /nfs/dbraw/zinc/71/34/87/1327713487.db2.gz GFYYRZAMSOEWHD-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001027464432 1327713492 /nfs/dbraw/zinc/71/34/92/1327713492.db2.gz GFYYRZAMSOEWHD-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001027464432 1327713497 /nfs/dbraw/zinc/71/34/97/1327713497.db2.gz GFYYRZAMSOEWHD-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP C[N@@H+](CC1CCCC1)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001027492053 1327753195 /nfs/dbraw/zinc/75/31/95/1327753195.db2.gz GHSNVQFJBTYTOA-IBGZPJMESA-N 2 1 340.471 3.061 20 0 EGADMP C[N@@H+](CC1=CCCCC1)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027519652 1327791197 /nfs/dbraw/zinc/79/11/97/1327791197.db2.gz RPPXDCJMDPFUHM-IBGZPJMESA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027545626 1327850417 /nfs/dbraw/zinc/85/04/17/1327850417.db2.gz CIOSGVVSBGNNMD-SFHVURJKSA-N 2 1 347.503 3.068 20 0 EGADMP CC1CCC(C[N@@H+](C)[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001027555054 1327862072 /nfs/dbraw/zinc/86/20/72/1327862072.db2.gz BYUNAGAHQYHMKB-QLOJAFMTSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027603164 1327957091 /nfs/dbraw/zinc/95/70/91/1327957091.db2.gz DRZLJAGLAVORGY-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC(C)C)C1 ZINC001027646149 1328021953 /nfs/dbraw/zinc/02/19/53/1328021953.db2.gz CSWAUWCQRLCHFB-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC(C)C)C1 ZINC001027646149 1328021958 /nfs/dbraw/zinc/02/19/58/1328021958.db2.gz CSWAUWCQRLCHFB-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC(C)C)C1 ZINC001027646149 1328021967 /nfs/dbraw/zinc/02/19/67/1328021967.db2.gz CSWAUWCQRLCHFB-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP C[N@@H+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680653 1328078347 /nfs/dbraw/zinc/07/83/47/1328078347.db2.gz IKNLGPOINRVPKI-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027680653 1328078352 /nfs/dbraw/zinc/07/83/52/1328078352.db2.gz IKNLGPOINRVPKI-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027680653 1328078361 /nfs/dbraw/zinc/07/83/61/1328078361.db2.gz IKNLGPOINRVPKI-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027694021 1328101387 /nfs/dbraw/zinc/10/13/87/1328101387.db2.gz PBAJKVYPZVDPOL-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027694021 1328101391 /nfs/dbraw/zinc/10/13/91/1328101391.db2.gz PBAJKVYPZVDPOL-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027694021 1328101394 /nfs/dbraw/zinc/10/13/94/1328101394.db2.gz PBAJKVYPZVDPOL-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2ccsc2)C1 ZINC001027694355 1328101420 /nfs/dbraw/zinc/10/14/20/1328101420.db2.gz WDOOHOKLUZJXBS-ZWKOTPCHSA-N 2 1 349.544 3.045 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccsc2)C1 ZINC001027694355 1328101426 /nfs/dbraw/zinc/10/14/26/1328101426.db2.gz WDOOHOKLUZJXBS-ZWKOTPCHSA-N 2 1 349.544 3.045 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccsc2)C1 ZINC001027694355 1328101430 /nfs/dbraw/zinc/10/14/30/1328101430.db2.gz WDOOHOKLUZJXBS-ZWKOTPCHSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000966074537 1328170444 /nfs/dbraw/zinc/17/04/44/1328170444.db2.gz IJBZVOHWTALXGH-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027878506 1328342332 /nfs/dbraw/zinc/34/23/32/1328342332.db2.gz DBEZXWAUIATXRP-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC001027878506 1328342335 /nfs/dbraw/zinc/34/23/35/1328342335.db2.gz DBEZXWAUIATXRP-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCCC1 ZINC001027878506 1328342345 /nfs/dbraw/zinc/34/23/45/1328342345.db2.gz DBEZXWAUIATXRP-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001027879134 1328344865 /nfs/dbraw/zinc/34/48/65/1328344865.db2.gz NOIWETQPLHGXRL-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001027879134 1328344874 /nfs/dbraw/zinc/34/48/74/1328344874.db2.gz NOIWETQPLHGXRL-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CC2(CCC2)C1 ZINC001027879134 1328344879 /nfs/dbraw/zinc/34/48/79/1328344879.db2.gz NOIWETQPLHGXRL-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001027878738 1328345141 /nfs/dbraw/zinc/34/51/41/1328345141.db2.gz HRDDYNLSXGVXFL-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001027878738 1328345150 /nfs/dbraw/zinc/34/51/50/1328345150.db2.gz HRDDYNLSXGVXFL-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCC1 ZINC001027878738 1328345157 /nfs/dbraw/zinc/34/51/57/1328345157.db2.gz HRDDYNLSXGVXFL-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CCC1CC1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885413 1328351759 /nfs/dbraw/zinc/35/17/59/1328351759.db2.gz DYANVOVDUKDYKI-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CCC1CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885413 1328351766 /nfs/dbraw/zinc/35/17/66/1328351766.db2.gz DYANVOVDUKDYKI-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CCC1CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885413 1328351773 /nfs/dbraw/zinc/35/17/73/1328351773.db2.gz DYANVOVDUKDYKI-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027917908 1328395480 /nfs/dbraw/zinc/39/54/80/1328395480.db2.gz HOECPUAXBGTFQJ-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001027917908 1328395484 /nfs/dbraw/zinc/39/54/84/1328395484.db2.gz HOECPUAXBGTFQJ-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001027917908 1328395489 /nfs/dbraw/zinc/39/54/89/1328395489.db2.gz HOECPUAXBGTFQJ-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027929850 1328407314 /nfs/dbraw/zinc/40/73/14/1328407314.db2.gz JXEWUBOUCHMETQ-RTBURBONSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929850 1328407323 /nfs/dbraw/zinc/40/73/23/1328407323.db2.gz JXEWUBOUCHMETQ-RTBURBONSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001027929850 1328407330 /nfs/dbraw/zinc/40/73/30/1328407330.db2.gz JXEWUBOUCHMETQ-RTBURBONSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001027986565 1328458533 /nfs/dbraw/zinc/45/85/33/1328458533.db2.gz YNQHLQQNCZQKJC-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001027986565 1328458538 /nfs/dbraw/zinc/45/85/38/1328458538.db2.gz YNQHLQQNCZQKJC-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001027986565 1328458542 /nfs/dbraw/zinc/45/85/42/1328458542.db2.gz YNQHLQQNCZQKJC-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CCCn1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)nn1 ZINC000865406723 1329692455 /nfs/dbraw/zinc/69/24/55/1329692455.db2.gz FVKWPDFWLIGFGQ-UHFFFAOYSA-N 2 1 341.503 3.210 20 0 EGADMP Cc1noc(C[C@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)n1 ZINC000933569138 1329901970 /nfs/dbraw/zinc/90/19/70/1329901970.db2.gz HODAKSJPTVSUMM-QGZVFWFLSA-N 2 1 337.427 3.018 20 0 EGADMP CCC[N@@H+](CCCC(=O)N(C)C)C1CCN(Cc2ccccc2)CC1 ZINC000934188119 1329953500 /nfs/dbraw/zinc/95/35/00/1329953500.db2.gz JRFTUSURUHXZOW-UHFFFAOYSA-N 2 1 345.531 3.231 20 0 EGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n(C)n1 ZINC000866412194 1330108465 /nfs/dbraw/zinc/10/84/65/1330108465.db2.gz BEOQSBLVLMCJLJ-VDZJLULYSA-N 2 1 326.488 3.147 20 0 EGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n(C)n1 ZINC000866412194 1330108466 /nfs/dbraw/zinc/10/84/66/1330108466.db2.gz BEOQSBLVLMCJLJ-VDZJLULYSA-N 2 1 326.488 3.147 20 0 EGADMP C[C@H]([NH2+]CC[C@H](O)C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866638314 1330136769 /nfs/dbraw/zinc/13/67/69/1330136769.db2.gz PBHMWYKHWRSVSG-YYWHXJBOSA-N 2 1 330.516 3.428 20 0 EGADMP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2Cl)CC1 ZINC000866660948 1330138741 /nfs/dbraw/zinc/13/87/41/1330138741.db2.gz JFDRCYUZKBKVRT-CQSZACIVSA-N 2 1 337.895 3.297 20 0 EGADMP COc1ccccc1-c1nc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)co1 ZINC000866667698 1330139558 /nfs/dbraw/zinc/13/95/58/1330139558.db2.gz VMAHVMXNRXHZGS-HNNXBMFYSA-N 2 1 341.455 3.314 20 0 EGADMP CC1(C)CC[NH2+]CC[N@@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000866699366 1330142059 /nfs/dbraw/zinc/14/20/59/1330142059.db2.gz LXYVCEPPPNWMOQ-UHFFFAOYSA-N 2 1 325.456 3.235 20 0 EGADMP CC1(C)CC[NH2+]CC[N@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000866699366 1330142061 /nfs/dbraw/zinc/14/20/61/1330142061.db2.gz LXYVCEPPPNWMOQ-UHFFFAOYSA-N 2 1 325.456 3.235 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000868012907 1330240599 /nfs/dbraw/zinc/24/05/99/1330240599.db2.gz VYUWZCVZJBOPDZ-INIZCTEOSA-N 2 1 331.504 3.036 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940779636 1331190316 /nfs/dbraw/zinc/19/03/16/1331190316.db2.gz FUQSFEMFRXWFSR-OAHLLOKOSA-N 2 1 337.533 3.048 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000941029105 1331299165 /nfs/dbraw/zinc/29/91/65/1331299165.db2.gz RSSXVWDOTCNVES-LJQANCHMSA-N 2 1 345.531 3.029 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000941244941 1331411684 /nfs/dbraw/zinc/41/16/84/1331411684.db2.gz QISQELWHZJHFGN-GOSISDBHSA-N 2 1 349.519 3.362 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCC2)CC[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942098881 1331829452 /nfs/dbraw/zinc/82/94/52/1331829452.db2.gz CHJHBMZQFMTKGM-PBHICJAKSA-N 2 1 349.544 3.050 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCC2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256337 1331890157 /nfs/dbraw/zinc/89/01/57/1331890157.db2.gz DMBRKJFEYQRWPQ-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944919972 1332454468 /nfs/dbraw/zinc/45/44/68/1332454468.db2.gz RNHCFDUWRZAZPJ-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631410 1332866369 /nfs/dbraw/zinc/86/63/69/1332866369.db2.gz GDMSKDLNVKEZCC-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946631410 1332866370 /nfs/dbraw/zinc/86/63/70/1332866370.db2.gz GDMSKDLNVKEZCC-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946631410 1332866372 /nfs/dbraw/zinc/86/63/72/1332866372.db2.gz GDMSKDLNVKEZCC-HAGHYFMRSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808098 1332904275 /nfs/dbraw/zinc/90/42/75/1332904275.db2.gz IWRIGXDLXXSLEM-AQNXPRMDSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CC1CCC1 ZINC000947310312 1333084318 /nfs/dbraw/zinc/08/43/18/1333084318.db2.gz PDLDBWKZQLGHLH-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947310175 1333084776 /nfs/dbraw/zinc/08/47/76/1333084776.db2.gz MSGISMJWUFZVIG-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)[C@@H](C)C1 ZINC000947547289 1333167979 /nfs/dbraw/zinc/16/79/79/1333167979.db2.gz QDGQRNDIFDXAND-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)[C@@H](C)C1 ZINC000947547289 1333167980 /nfs/dbraw/zinc/16/79/80/1333167980.db2.gz QDGQRNDIFDXAND-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC1CCCCCC1 ZINC000947684944 1333222691 /nfs/dbraw/zinc/22/26/91/1333222691.db2.gz KMOQIVQWHJEWOZ-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CCCC1CCC1 ZINC000947725866 1333241410 /nfs/dbraw/zinc/24/14/10/1333241410.db2.gz DYULJPBRZQYHKX-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CCCC1CCC1 ZINC000947725866 1333241413 /nfs/dbraw/zinc/24/14/13/1333241413.db2.gz DYULJPBRZQYHKX-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CCCC1CCC1 ZINC000947725866 1333241417 /nfs/dbraw/zinc/24/14/17/1333241417.db2.gz DYULJPBRZQYHKX-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1CCC1CC1 ZINC000947801351 1333265595 /nfs/dbraw/zinc/26/55/95/1333265595.db2.gz MSNKQAQAXXQGSI-OXJNMPFZSA-N 2 1 343.515 3.131 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)[C@H](C)C2)CC1 ZINC000947851866 1333280168 /nfs/dbraw/zinc/28/01/68/1333280168.db2.gz BIPLKEOALWLFSY-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCC1CCCCCC1 ZINC000948040127 1333350050 /nfs/dbraw/zinc/35/00/50/1333350050.db2.gz MXDRLSWMIYGQIW-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948365708 1333496220 /nfs/dbraw/zinc/49/62/20/1333496220.db2.gz RWCHNLIOABWRIS-RBUKOAKNSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948365708 1333496221 /nfs/dbraw/zinc/49/62/21/1333496221.db2.gz RWCHNLIOABWRIS-RBUKOAKNSA-N 2 1 335.536 3.138 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948365708 1333496224 /nfs/dbraw/zinc/49/62/24/1333496224.db2.gz RWCHNLIOABWRIS-RBUKOAKNSA-N 2 1 335.536 3.138 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948374320 1333500695 /nfs/dbraw/zinc/50/06/95/1333500695.db2.gz UYBGLIUIRVUTSH-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948385606 1333504400 /nfs/dbraw/zinc/50/44/00/1333504400.db2.gz MTUIACJQIGHBCR-NZSAHSFTSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948385606 1333504402 /nfs/dbraw/zinc/50/44/02/1333504402.db2.gz MTUIACJQIGHBCR-NZSAHSFTSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948385606 1333504403 /nfs/dbraw/zinc/50/44/03/1333504403.db2.gz MTUIACJQIGHBCR-NZSAHSFTSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CCC3CC3)CC2)C1 ZINC000948436009 1333523819 /nfs/dbraw/zinc/52/38/19/1333523819.db2.gz RSQKNKHKFNFEBL-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@H]2CCC[N@H+](CCC3CC3)CC2)C1 ZINC000948436009 1333523821 /nfs/dbraw/zinc/52/38/21/1333523821.db2.gz RSQKNKHKFNFEBL-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@H]2CCC[N@@H+](CCC3CC3)CC2)C1 ZINC000948436009 1333523826 /nfs/dbraw/zinc/52/38/26/1333523826.db2.gz RSQKNKHKFNFEBL-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948591310 1333587417 /nfs/dbraw/zinc/58/74/17/1333587417.db2.gz UNTDSLYHUAPBIF-GOSISDBHSA-N 2 1 340.471 3.061 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC000948634016 1333604698 /nfs/dbraw/zinc/60/46/98/1333604698.db2.gz JMPKMOLKIZFUQR-ICSRJNTNSA-N 2 1 343.515 3.075 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC000948634016 1333604703 /nfs/dbraw/zinc/60/47/03/1333604703.db2.gz JMPKMOLKIZFUQR-ICSRJNTNSA-N 2 1 343.515 3.075 20 0 EGADMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000948743574 1333655809 /nfs/dbraw/zinc/65/58/09/1333655809.db2.gz YIBYKRBTLJBIEM-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H](C(=O)N(C)[C@@H]1CCC[N@@H+](CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC000948829475 1333700834 /nfs/dbraw/zinc/70/08/34/1333700834.db2.gz NOXZSOAQHXBEPN-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948829685 1333701977 /nfs/dbraw/zinc/70/19/77/1333701977.db2.gz STFCJYRMNICPJE-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948829685 1333701980 /nfs/dbraw/zinc/70/19/80/1333701980.db2.gz STFCJYRMNICPJE-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948829685 1333701982 /nfs/dbraw/zinc/70/19/82/1333701982.db2.gz STFCJYRMNICPJE-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000949046748 1333770350 /nfs/dbraw/zinc/77/03/50/1333770350.db2.gz TUTSTPDCYCGMIL-UYAOXDASSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000949046748 1333770353 /nfs/dbraw/zinc/77/03/53/1333770353.db2.gz TUTSTPDCYCGMIL-UYAOXDASSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000950363931 1334051250 /nfs/dbraw/zinc/05/12/50/1334051250.db2.gz YGHNMFOIOSYLNO-AHRSYUTCSA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000950363931 1334051253 /nfs/dbraw/zinc/05/12/53/1334051253.db2.gz YGHNMFOIOSYLNO-AHRSYUTCSA-N 2 1 343.515 3.011 20 0 EGADMP CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1C[NH+](CC2CCCCC2)C1 ZINC000950614587 1334097461 /nfs/dbraw/zinc/09/74/61/1334097461.db2.gz GNMWJPGIZSPQAY-UYAOXDASSA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1C[NH+](CCC2CCCC2)C1 ZINC000952443825 1334460760 /nfs/dbraw/zinc/46/07/60/1334460760.db2.gz DAPZZUFPKVLXPM-QUCCMNQESA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CC[N@@H+](CCCC2CCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000968378681 1335910100 /nfs/dbraw/zinc/91/01/00/1335910100.db2.gz ROYCOYDMAOEDOX-FXAWDEMLSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCCC3)CC[C@H]2C)CC1 ZINC000968492346 1335940855 /nfs/dbraw/zinc/94/08/55/1335940855.db2.gz IBPGYZUEMKIITI-YLJYHZDGSA-N 2 1 349.563 3.124 20 0 EGADMP CC1(C)CC(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC000968916013 1336087201 /nfs/dbraw/zinc/08/72/01/1336087201.db2.gz WMKRTEJGWHFJEL-IEBWSBKVSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1Cl ZINC000968922346 1336089717 /nfs/dbraw/zinc/08/97/17/1336089717.db2.gz YNRPLNGWIRYJQI-HUUCEWRRSA-N 2 1 349.906 3.076 20 0 EGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936533 1336095690 /nfs/dbraw/zinc/09/56/90/1336095690.db2.gz KMNIVGUMJQCUFZ-KRWDZBQOSA-N 2 1 328.460 3.109 20 0 EGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969100816 1336143286 /nfs/dbraw/zinc/14/32/86/1336143286.db2.gz IYGQLFLCTHFUAV-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118386 1336150327 /nfs/dbraw/zinc/15/03/27/1336150327.db2.gz NUSAOLSPAWBWAM-KRWDZBQOSA-N 2 1 344.503 3.088 20 0 EGADMP CC(C)=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118386 1336150330 /nfs/dbraw/zinc/15/03/30/1336150330.db2.gz NUSAOLSPAWBWAM-KRWDZBQOSA-N 2 1 344.503 3.088 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCCCC[N@H+]2CCCF)c1 ZINC000969153302 1336164384 /nfs/dbraw/zinc/16/43/84/1336164384.db2.gz FHZJIGOICROFEA-IBGZPJMESA-N 2 1 349.494 3.082 20 0 EGADMP CC(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326356 1336294776 /nfs/dbraw/zinc/29/47/76/1336294776.db2.gz QKUQFGLSZAPWRE-XLIONFOSSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326357 1336294885 /nfs/dbraw/zinc/29/48/85/1336294885.db2.gz QKUQFGLSZAPWRE-YLJYHZDGSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000970528500 1336317949 /nfs/dbraw/zinc/31/79/49/1336317949.db2.gz HHKKQLUGRJOCKD-YLJYHZDGSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005477472 1336358310 /nfs/dbraw/zinc/35/83/10/1336358310.db2.gz ROVXLCRDLJWLNP-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001005639273 1336386702 /nfs/dbraw/zinc/38/67/02/1336386702.db2.gz HRDKVDDVJMDAIP-MJGOQNOKSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001005991522 1336435581 /nfs/dbraw/zinc/43/55/81/1336435581.db2.gz NWENJPIEDPVQFN-QZTJIDSGSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001006443480 1336507017 /nfs/dbraw/zinc/50/70/17/1336507017.db2.gz LYVSKMPEKUQCFM-HDICACEKSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007500205 1336658634 /nfs/dbraw/zinc/65/86/34/1336658634.db2.gz RGEJJSDUOINJKJ-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007500205 1336658637 /nfs/dbraw/zinc/65/86/37/1336658637.db2.gz RGEJJSDUOINJKJ-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007500205 1336658639 /nfs/dbraw/zinc/65/86/39/1336658639.db2.gz RGEJJSDUOINJKJ-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCCC2CCCC2)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001007530793 1336665109 /nfs/dbraw/zinc/66/51/09/1336665109.db2.gz WFKHSOPTINLKNH-RCCFBDPRSA-N 2 1 344.503 3.064 20 0 EGADMP O=C(N[C@H]1CCC[N@H+](CCCC2CCCC2)C1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001007530793 1336665111 /nfs/dbraw/zinc/66/51/11/1336665111.db2.gz WFKHSOPTINLKNH-RCCFBDPRSA-N 2 1 344.503 3.064 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCCC2CCCC2)C1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001007530793 1336665112 /nfs/dbraw/zinc/66/51/12/1336665112.db2.gz WFKHSOPTINLKNH-RCCFBDPRSA-N 2 1 344.503 3.064 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007747698 1336694305 /nfs/dbraw/zinc/69/43/05/1336694305.db2.gz RDUVHVDSVIULHO-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001007747698 1336694307 /nfs/dbraw/zinc/69/43/07/1336694307.db2.gz RDUVHVDSVIULHO-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001007747698 1336694310 /nfs/dbraw/zinc/69/43/10/1336694310.db2.gz RDUVHVDSVIULHO-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001007801904 1336703704 /nfs/dbraw/zinc/70/37/04/1336703704.db2.gz UNURABASDLSOEK-APWZRJJASA-N 2 1 348.450 3.290 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001008725390 1336917570 /nfs/dbraw/zinc/91/75/70/1336917570.db2.gz FOZQATRULHQRRM-SFHVURJKSA-N 2 1 344.503 3.088 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001008725390 1336917573 /nfs/dbraw/zinc/91/75/73/1336917573.db2.gz FOZQATRULHQRRM-SFHVURJKSA-N 2 1 344.503 3.088 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001008746897 1336918966 /nfs/dbraw/zinc/91/89/66/1336918966.db2.gz KOQDBYXTPLWKFI-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001008746905 1336919040 /nfs/dbraw/zinc/91/90/40/1336919040.db2.gz KOQDBYXTPLWKFI-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001008747608 1336920044 /nfs/dbraw/zinc/92/00/44/1336920044.db2.gz MGSMFFZUHNZJKB-WMZOPIPTSA-N 2 1 349.544 3.093 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001008747608 1336920046 /nfs/dbraw/zinc/92/00/46/1336920046.db2.gz MGSMFFZUHNZJKB-WMZOPIPTSA-N 2 1 349.544 3.093 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1Br ZINC001206025542 1370942530 /nfs/dbraw/zinc/94/25/30/1370942530.db2.gz OBXBDALFOSLRFF-CHWSQXEVSA-N 2 1 341.293 3.265 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+](CCC(C)(C)C)C2)c1 ZINC001009607726 1337045615 /nfs/dbraw/zinc/04/56/15/1337045615.db2.gz CVJKUTUGARWHRK-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001014430085 1337776247 /nfs/dbraw/zinc/77/62/47/1337776247.db2.gz AKCFHRHEULWJQE-MJGOQNOKSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCC3CCCCCC3)C2)CC[N@H+]1C ZINC001014508948 1337801646 /nfs/dbraw/zinc/80/16/46/1337801646.db2.gz PFAIYPZPIHGPHE-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCC3CCCCCC3)C2)CC[NH+]1C ZINC001014508948 1337801651 /nfs/dbraw/zinc/80/16/51/1337801651.db2.gz PFAIYPZPIHGPHE-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC3CCCCCC3)C2)CC[NH+]1C ZINC001014508948 1337801655 /nfs/dbraw/zinc/80/16/55/1337801655.db2.gz PFAIYPZPIHGPHE-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001014707761 1337877491 /nfs/dbraw/zinc/87/74/91/1337877491.db2.gz UZVBRPBSMDJWEL-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001014707761 1337877494 /nfs/dbraw/zinc/87/74/94/1337877494.db2.gz UZVBRPBSMDJWEL-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001014707761 1337877497 /nfs/dbraw/zinc/87/74/97/1337877497.db2.gz UZVBRPBSMDJWEL-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CC2CCCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001014728488 1337888596 /nfs/dbraw/zinc/88/85/96/1337888596.db2.gz MSHSLZCYEIGUMT-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CC[NH+](CC2CCCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001014728488 1337888597 /nfs/dbraw/zinc/88/85/97/1337888597.db2.gz MSHSLZCYEIGUMT-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CC[NH+](CC2CCCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001014728488 1337888602 /nfs/dbraw/zinc/88/86/02/1337888602.db2.gz MSHSLZCYEIGUMT-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)ccc2c[nH+]cn21 ZINC001015033575 1337996494 /nfs/dbraw/zinc/99/64/94/1337996494.db2.gz RFRMUVDAXOGZME-CRAIPNDOSA-N 2 1 348.450 3.208 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015501525 1338160314 /nfs/dbraw/zinc/16/03/14/1338160314.db2.gz BFELZAGTWKGCCM-MOPGFXCFSA-N 2 1 343.515 3.203 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015501249 1338160576 /nfs/dbraw/zinc/16/05/76/1338160576.db2.gz YIGFZGSQJXQYLI-ZWKOTPCHSA-N 2 1 343.515 3.121 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001015977346 1338389112 /nfs/dbraw/zinc/38/91/12/1338389112.db2.gz UEMKLPJBTQSEMU-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001015977346 1338389116 /nfs/dbraw/zinc/38/91/16/1338389116.db2.gz UEMKLPJBTQSEMU-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001015977346 1338389120 /nfs/dbraw/zinc/38/91/20/1338389120.db2.gz UEMKLPJBTQSEMU-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016610925 1338663134 /nfs/dbraw/zinc/66/31/34/1338663134.db2.gz AEIXYDLATSZLHZ-ZWKOTPCHSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016663366 1338683900 /nfs/dbraw/zinc/68/39/00/1338683900.db2.gz QEDWXXRMBNOTSZ-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001016819661 1338737786 /nfs/dbraw/zinc/73/77/86/1338737786.db2.gz LSHVRVIBNKTWNX-QGZVFWFLSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](C(C)C)CC2 ZINC001016922452 1338771015 /nfs/dbraw/zinc/77/10/15/1338771015.db2.gz CVVGZMHLKRYULV-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016986429 1338793488 /nfs/dbraw/zinc/79/34/88/1338793488.db2.gz QWSQOANYJXVGGD-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@@H+](CC1CCC1)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001017129122 1338884952 /nfs/dbraw/zinc/88/49/52/1338884952.db2.gz YARMISCFAAAQFZ-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@@H](C[N@H+](C)CC3=CCCCC3)C2)CCC1 ZINC001017141816 1338894284 /nfs/dbraw/zinc/89/42/84/1338894284.db2.gz JHBTZDJRSCYLRP-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001017146764 1338896412 /nfs/dbraw/zinc/89/64/12/1338896412.db2.gz RHZHVDKIRVIOGU-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCC1)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001017146764 1338896415 /nfs/dbraw/zinc/89/64/15/1338896415.db2.gz RHZHVDKIRVIOGU-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCC1)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001017146764 1338896420 /nfs/dbraw/zinc/89/64/20/1338896420.db2.gz RHZHVDKIRVIOGU-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCC2)C1 ZINC001017228931 1338967571 /nfs/dbraw/zinc/96/75/71/1338967571.db2.gz UDBRAOVHRHHUDS-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001017228931 1338967573 /nfs/dbraw/zinc/96/75/73/1338967573.db2.gz UDBRAOVHRHHUDS-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017228931 1338967577 /nfs/dbraw/zinc/96/75/77/1338967577.db2.gz UDBRAOVHRHHUDS-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001017618669 1339377704 /nfs/dbraw/zinc/37/77/04/1339377704.db2.gz UEHIRWCPDOSXNI-ZCNNSNEGSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001017618669 1339377706 /nfs/dbraw/zinc/37/77/06/1339377706.db2.gz UEHIRWCPDOSXNI-ZCNNSNEGSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001017618669 1339377707 /nfs/dbraw/zinc/37/77/07/1339377707.db2.gz UEHIRWCPDOSXNI-ZCNNSNEGSA-N 2 1 345.531 3.035 20 0 EGADMP CC(C)=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001017618669 1339377711 /nfs/dbraw/zinc/37/77/11/1339377711.db2.gz UEHIRWCPDOSXNI-ZCNNSNEGSA-N 2 1 345.531 3.035 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CCC1CCCCCC1)C12CC[NH+](CC1)C2 ZINC001028264298 1340520278 /nfs/dbraw/zinc/52/02/78/1340520278.db2.gz DCVJQRGSPULOTC-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CCC1CCCCCC1)C12CC[NH+](CC1)C2 ZINC001028264297 1340520509 /nfs/dbraw/zinc/52/05/09/1340520509.db2.gz DCVJQRGSPULOTC-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCC2)c1 ZINC001028334132 1340571223 /nfs/dbraw/zinc/57/12/23/1340571223.db2.gz SZBVMAGRSCEUAJ-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343012 1340582560 /nfs/dbraw/zinc/58/25/60/1340582560.db2.gz KBVBKXCTTVDEKV-IRXDYDNUSA-N 2 1 349.519 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001028538029 1340693924 /nfs/dbraw/zinc/69/39/24/1340693924.db2.gz XXUFJYSFKQFHGI-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001028538029 1340693930 /nfs/dbraw/zinc/69/39/30/1340693930.db2.gz XXUFJYSFKQFHGI-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001028538029 1340693936 /nfs/dbraw/zinc/69/39/36/1340693936.db2.gz XXUFJYSFKQFHGI-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001028579710 1340712468 /nfs/dbraw/zinc/71/24/68/1340712468.db2.gz HJFDLUIPLICWOM-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001028579710 1340712469 /nfs/dbraw/zinc/71/24/69/1340712469.db2.gz HJFDLUIPLICWOM-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001028579710 1340712470 /nfs/dbraw/zinc/71/24/70/1340712470.db2.gz HJFDLUIPLICWOM-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001028580386 1340713384 /nfs/dbraw/zinc/71/33/84/1340713384.db2.gz VOLAWAGEJDFLDE-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001028580386 1340713388 /nfs/dbraw/zinc/71/33/88/1340713388.db2.gz VOLAWAGEJDFLDE-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001028580386 1340713393 /nfs/dbraw/zinc/71/33/93/1340713393.db2.gz VOLAWAGEJDFLDE-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001028644525 1340740328 /nfs/dbraw/zinc/74/03/28/1340740328.db2.gz BBRLTNUGJVNPJB-QGZVFWFLSA-N 2 1 342.487 3.131 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001028754515 1340790440 /nfs/dbraw/zinc/79/04/40/1340790440.db2.gz GFBCMMQUQIZZCR-VQTJNVASSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCCC3CCC3)C2)C1 ZINC001028754515 1340790442 /nfs/dbraw/zinc/79/04/42/1340790442.db2.gz GFBCMMQUQIZZCR-VQTJNVASSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001028754515 1340790445 /nfs/dbraw/zinc/79/04/45/1340790445.db2.gz GFBCMMQUQIZZCR-VQTJNVASSA-N 2 1 349.563 3.127 20 0 EGADMP C[C@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001029065556 1340922234 /nfs/dbraw/zinc/92/22/34/1340922234.db2.gz HSJUFOOPCAQSPG-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001029108770 1340931940 /nfs/dbraw/zinc/93/19/40/1340931940.db2.gz PWGCACWQIGSXEM-KRWDZBQOSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001029145633 1340942785 /nfs/dbraw/zinc/94/27/85/1340942785.db2.gz BXYCDPSADKSYQU-ZWKOTPCHSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1 ZINC001029152804 1340944064 /nfs/dbraw/zinc/94/40/64/1340944064.db2.gz JUHDKGPKODPFMR-INIZCTEOSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001029165881 1340946618 /nfs/dbraw/zinc/94/66/18/1340946618.db2.gz RHXGFVMWTMXRKG-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001029474284 1340998095 /nfs/dbraw/zinc/99/80/95/1340998095.db2.gz PUWGVVIZPLGVTF-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001029474284 1340998096 /nfs/dbraw/zinc/99/80/96/1340998096.db2.gz PUWGVVIZPLGVTF-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1 ZINC001029474284 1340998097 /nfs/dbraw/zinc/99/80/97/1340998097.db2.gz PUWGVVIZPLGVTF-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CC1CCC(C[N@@H+](C)C[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001029756110 1341064066 /nfs/dbraw/zinc/06/40/66/1341064066.db2.gz QSEGXBFIQNITPO-ACBHZAAOSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001029755449 1341064217 /nfs/dbraw/zinc/06/42/17/1341064217.db2.gz NETZQYIHWOPEIQ-QZTJIDSGSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001029755449 1341064219 /nfs/dbraw/zinc/06/42/19/1341064219.db2.gz NETZQYIHWOPEIQ-QZTJIDSGSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001029755449 1341064222 /nfs/dbraw/zinc/06/42/22/1341064222.db2.gz NETZQYIHWOPEIQ-QZTJIDSGSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCCC2)C1)[NH+](C)C ZINC001029767610 1341066674 /nfs/dbraw/zinc/06/66/74/1341066674.db2.gz VVFNBEQFYUZIGR-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](C)CC2CC(C)C2)CC1 ZINC001029969739 1341138730 /nfs/dbraw/zinc/13/87/30/1341138730.db2.gz UPSIQQMYKGBWMO-LYBXBRPPSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CC2CC(C)C2)CC1 ZINC001029969739 1341138731 /nfs/dbraw/zinc/13/87/31/1341138731.db2.gz UPSIQQMYKGBWMO-LYBXBRPPSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CC2CC(C)C2)CC1 ZINC001029969739 1341138732 /nfs/dbraw/zinc/13/87/32/1341138732.db2.gz UPSIQQMYKGBWMO-LYBXBRPPSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[N@@H+](C)CC2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001029981895 1341143462 /nfs/dbraw/zinc/14/34/62/1341143462.db2.gz GLQDRPZXDKSXRE-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC001030010119 1341157099 /nfs/dbraw/zinc/15/70/99/1341157099.db2.gz DTEJISJAVZLGFR-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001030010119 1341157101 /nfs/dbraw/zinc/15/71/01/1341157101.db2.gz DTEJISJAVZLGFR-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001030010119 1341157102 /nfs/dbraw/zinc/15/71/02/1341157102.db2.gz DTEJISJAVZLGFR-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC2C[NH+](CCC3CCCCCC3)C2)C1 ZINC001030432301 1341186993 /nfs/dbraw/zinc/18/69/93/1341186993.db2.gz CYHHWRKFFPUZNV-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001031584894 1341371759 /nfs/dbraw/zinc/37/17/59/1341371759.db2.gz LLEWSETVKNXBLX-OXJNMPFZSA-N 2 1 343.515 3.013 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001031715590 1341392066 /nfs/dbraw/zinc/39/20/66/1341392066.db2.gz WSEZAGPMOCEWJP-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](CCC3CCCCC3)C2)C1 ZINC001031917106 1341421657 /nfs/dbraw/zinc/42/16/57/1341421657.db2.gz NSELXACQTOZYSW-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C[NH+](C)C ZINC001032430674 1341511338 /nfs/dbraw/zinc/51/13/38/1341511338.db2.gz BLGMHHNIMLZILH-IRXDYDNUSA-N 2 1 349.544 3.145 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C[NH+](C)C ZINC001032430674 1341511339 /nfs/dbraw/zinc/51/13/39/1341511339.db2.gz BLGMHHNIMLZILH-IRXDYDNUSA-N 2 1 349.544 3.145 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001032804029 1341619576 /nfs/dbraw/zinc/61/95/76/1341619576.db2.gz ULANPTJRVWOWSV-SLFFLAALSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CCCCCC3)C2)CC[N@H+]1C ZINC001033098112 1341721339 /nfs/dbraw/zinc/72/13/39/1341721339.db2.gz CEKNCYVMXFCWCT-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001033098112 1341721340 /nfs/dbraw/zinc/72/13/40/1341721340.db2.gz CEKNCYVMXFCWCT-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001033098112 1341721342 /nfs/dbraw/zinc/72/13/42/1341721342.db2.gz CEKNCYVMXFCWCT-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033144952 1341738784 /nfs/dbraw/zinc/73/87/84/1341738784.db2.gz CWLBYKFJHWQHEB-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033144952 1341738785 /nfs/dbraw/zinc/73/87/85/1341738785.db2.gz CWLBYKFJHWQHEB-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033144952 1341738788 /nfs/dbraw/zinc/73/87/88/1341738788.db2.gz CWLBYKFJHWQHEB-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033145900 1341739253 /nfs/dbraw/zinc/73/92/53/1341739253.db2.gz LOOZRLFYELDMJC-QZTJIDSGSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001033145900 1341739254 /nfs/dbraw/zinc/73/92/54/1341739254.db2.gz LOOZRLFYELDMJC-QZTJIDSGSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001033145900 1341739255 /nfs/dbraw/zinc/73/92/55/1341739255.db2.gz LOOZRLFYELDMJC-QZTJIDSGSA-N 2 1 349.544 3.044 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001033353043 1341793473 /nfs/dbraw/zinc/79/34/73/1341793473.db2.gz CYXKXDDHFOCJGJ-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001033353043 1341793474 /nfs/dbraw/zinc/79/34/74/1341793474.db2.gz CYXKXDDHFOCJGJ-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001033353043 1341793476 /nfs/dbraw/zinc/79/34/76/1341793476.db2.gz CYXKXDDHFOCJGJ-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC3CCCCCC3)C2)CC[N@H+]1C ZINC001033357749 1341795687 /nfs/dbraw/zinc/79/56/87/1341795687.db2.gz BVASHQPSYXXZPX-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001033357749 1341795688 /nfs/dbraw/zinc/79/56/88/1341795688.db2.gz BVASHQPSYXXZPX-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001033357749 1341795689 /nfs/dbraw/zinc/79/56/89/1341795689.db2.gz BVASHQPSYXXZPX-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033416998 1341820766 /nfs/dbraw/zinc/82/07/66/1341820766.db2.gz SYWXBKCTLQKCSN-PKOBYXMFSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001033416998 1341820768 /nfs/dbraw/zinc/82/07/68/1341820768.db2.gz SYWXBKCTLQKCSN-PKOBYXMFSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033416998 1341820769 /nfs/dbraw/zinc/82/07/69/1341820769.db2.gz SYWXBKCTLQKCSN-PKOBYXMFSA-N 2 1 343.515 3.012 20 0 EGADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033426442 1341822003 /nfs/dbraw/zinc/82/20/03/1341822003.db2.gz QQRUZRUUWDVSMS-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033426442 1341822005 /nfs/dbraw/zinc/82/20/05/1341822005.db2.gz QQRUZRUUWDVSMS-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033426442 1341822007 /nfs/dbraw/zinc/82/20/07/1341822007.db2.gz QQRUZRUUWDVSMS-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001033546842 1341865949 /nfs/dbraw/zinc/86/59/49/1341865949.db2.gz GTNJOJQLOFUANI-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC=C(C)C)C1 ZINC001033570510 1341878386 /nfs/dbraw/zinc/87/83/86/1341878386.db2.gz BAGWVHYANNQWBV-OALUTQOASA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001033570510 1341878387 /nfs/dbraw/zinc/87/83/87/1341878387.db2.gz BAGWVHYANNQWBV-OALUTQOASA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001033570510 1341878388 /nfs/dbraw/zinc/87/83/88/1341878388.db2.gz BAGWVHYANNQWBV-OALUTQOASA-N 2 1 335.536 3.140 20 0 EGADMP CN(C(=O)c1ccccc1C[NH+](C)C)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033680709 1341947680 /nfs/dbraw/zinc/94/76/80/1341947680.db2.gz MKHFOSHRBOTDNB-LJQANCHMSA-N 2 1 343.515 3.085 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC=C(C)C)C2)o1 ZINC001033698956 1341965779 /nfs/dbraw/zinc/96/57/79/1341965779.db2.gz GSDGSDOQSWFYHH-KRWDZBQOSA-N 2 1 347.503 3.234 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC001033988383 1342132884 /nfs/dbraw/zinc/13/28/84/1342132884.db2.gz DNVDIHGOKDIWLG-APWZRJJASA-N 2 1 349.494 3.033 20 0 EGADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001034045577 1342186510 /nfs/dbraw/zinc/18/65/10/1342186510.db2.gz LLORUZKXKRHPIW-FQEVSTJZSA-N 2 1 343.515 3.251 20 0 EGADMP CCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034050366 1342191475 /nfs/dbraw/zinc/19/14/75/1342191475.db2.gz KNGKPZOVKLMFNC-INIZCTEOSA-N 2 1 335.492 3.068 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3=CCCCC3)C2)CC[N@H+]1C ZINC001034217866 1342324134 /nfs/dbraw/zinc/32/41/34/1342324134.db2.gz WNVSWOHHFAURGT-HSALFYBXSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CC3=CCCCC3)C2)CC[NH+]1C ZINC001034217866 1342324140 /nfs/dbraw/zinc/32/41/40/1342324140.db2.gz WNVSWOHHFAURGT-HSALFYBXSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CC3=CCCCC3)C2)CC[NH+]1C ZINC001034217866 1342324143 /nfs/dbraw/zinc/32/41/43/1342324143.db2.gz WNVSWOHHFAURGT-HSALFYBXSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034239209 1342340675 /nfs/dbraw/zinc/34/06/75/1342340675.db2.gz JCEVWTOLKJQOEW-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001034239209 1342340676 /nfs/dbraw/zinc/34/06/76/1342340676.db2.gz JCEVWTOLKJQOEW-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001034239209 1342340678 /nfs/dbraw/zinc/34/06/78/1342340678.db2.gz JCEVWTOLKJQOEW-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290060 1342375831 /nfs/dbraw/zinc/37/58/31/1342375831.db2.gz DMRBXXVTCRTVJE-GOSISDBHSA-N 2 1 342.487 3.355 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034289484 1342375945 /nfs/dbraw/zinc/37/59/45/1342375945.db2.gz UNVJWRYZPLGUNI-MOPGFXCFSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289484 1342375949 /nfs/dbraw/zinc/37/59/49/1342375949.db2.gz UNVJWRYZPLGUNI-MOPGFXCFSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289484 1342375952 /nfs/dbraw/zinc/37/59/52/1342375952.db2.gz UNVJWRYZPLGUNI-MOPGFXCFSA-N 2 1 335.536 3.044 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](CC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001034290088 1342376374 /nfs/dbraw/zinc/37/63/74/1342376374.db2.gz FUVLODBMFHXBLQ-LJQANCHMSA-N 2 1 347.547 3.166 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034291549 1342377117 /nfs/dbraw/zinc/37/71/17/1342377117.db2.gz ZHHUPQAYYGDRKY-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccn2c[nH+]cc2c1 ZINC001034291639 1342377280 /nfs/dbraw/zinc/37/72/80/1342377280.db2.gz NAFKFRIRZWLWAI-LJQANCHMSA-N 2 1 348.450 3.119 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034397749 1342465217 /nfs/dbraw/zinc/46/52/17/1342465217.db2.gz LEBPRZBGKVVDIC-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034397749 1342465219 /nfs/dbraw/zinc/46/52/19/1342465219.db2.gz LEBPRZBGKVVDIC-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034397749 1342465222 /nfs/dbraw/zinc/46/52/22/1342465222.db2.gz LEBPRZBGKVVDIC-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034406139 1342469794 /nfs/dbraw/zinc/46/97/94/1342469794.db2.gz WKYGVFHAFSWNQC-HXUWFJFHSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034439002 1342500963 /nfs/dbraw/zinc/50/09/63/1342500963.db2.gz REQGBCKDVWQTJT-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034439002 1342500967 /nfs/dbraw/zinc/50/09/67/1342500967.db2.gz REQGBCKDVWQTJT-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034439002 1342500968 /nfs/dbraw/zinc/50/09/68/1342500968.db2.gz REQGBCKDVWQTJT-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccsc2)C1 ZINC001034538137 1342594616 /nfs/dbraw/zinc/59/46/16/1342594616.db2.gz JCMRDWXZCGSEFD-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccsc2)C1 ZINC001034538137 1342594619 /nfs/dbraw/zinc/59/46/19/1342594619.db2.gz JCMRDWXZCGSEFD-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccsc2)C1 ZINC001034538137 1342594624 /nfs/dbraw/zinc/59/46/24/1342594624.db2.gz JCMRDWXZCGSEFD-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034538322 1342596834 /nfs/dbraw/zinc/59/68/34/1342596834.db2.gz LRBLDPFGOWYRQK-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001034538322 1342596839 /nfs/dbraw/zinc/59/68/39/1342596839.db2.gz LRBLDPFGOWYRQK-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001034538322 1342596845 /nfs/dbraw/zinc/59/68/45/1342596845.db2.gz LRBLDPFGOWYRQK-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCCC3)CC2)CC[N@H+]1C ZINC001034648077 1342669230 /nfs/dbraw/zinc/66/92/30/1342669230.db2.gz XLBDORAZGJEVSH-VBSBHUPXSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC001034672376 1342683546 /nfs/dbraw/zinc/68/35/46/1342683546.db2.gz LKCXEJXSQQOGQD-VBSBHUPXSA-N 2 1 343.515 3.249 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)C2)CC1 ZINC001034683782 1342690498 /nfs/dbraw/zinc/69/04/98/1342690498.db2.gz ZZFFDXPIIUFYSY-WFAGLZIHSA-N 2 1 349.563 3.170 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC(C)CC2)CC1 ZINC001034692490 1342695308 /nfs/dbraw/zinc/69/53/08/1342695308.db2.gz KPJKTMQPAIIZER-CPXUNXPTSA-N 2 1 346.519 3.035 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(C)C)CC1 ZINC001034775389 1342753468 /nfs/dbraw/zinc/75/34/68/1342753468.db2.gz NTZNYDQRTBAXNI-FHWLQOOXSA-N 2 1 337.552 3.314 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001034794649 1342762020 /nfs/dbraw/zinc/76/20/20/1342762020.db2.gz MTAYTUYMXKBISO-WGSAOQKQSA-N 2 1 346.519 3.179 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034953703 1342851684 /nfs/dbraw/zinc/85/16/84/1342851684.db2.gz GZPKFZVMEZGZEF-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001034957882 1342852533 /nfs/dbraw/zinc/85/25/33/1342852533.db2.gz NXEAXDOYSYQFPX-PKOBYXMFSA-N 2 1 343.515 3.121 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001034962556 1342854717 /nfs/dbraw/zinc/85/47/17/1342854717.db2.gz TYMYGRZMGXFNPS-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC001035217294 1343037615 /nfs/dbraw/zinc/03/76/15/1343037615.db2.gz OPQMSPBDXITVIV-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC001035217294 1343037621 /nfs/dbraw/zinc/03/76/21/1343037621.db2.gz OPQMSPBDXITVIV-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC001035217294 1343037625 /nfs/dbraw/zinc/03/76/25/1343037625.db2.gz OPQMSPBDXITVIV-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC3(CC[NH+](CCC(C)(C)C)C3)CC2)C1 ZINC001035227135 1343048713 /nfs/dbraw/zinc/04/87/13/1343048713.db2.gz OOFXLISDXQGJBJ-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC3(CC[N@H+](CCC(C)(C)C)C3)CC2)C1 ZINC001035227135 1343048715 /nfs/dbraw/zinc/04/87/15/1343048715.db2.gz OOFXLISDXQGJBJ-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC3(CC[N@@H+](CCC(C)(C)C)C3)CC2)C1 ZINC001035227135 1343048717 /nfs/dbraw/zinc/04/87/17/1343048717.db2.gz OOFXLISDXQGJBJ-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC[NH+](C(C)C)C2)CC1 ZINC001035244109 1343065064 /nfs/dbraw/zinc/06/50/64/1343065064.db2.gz ITVSZRRKSOKYNU-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](C(C)C)C2)CC1 ZINC001035244109 1343065071 /nfs/dbraw/zinc/06/50/71/1343065071.db2.gz ITVSZRRKSOKYNU-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](C(C)C)C2)CC1 ZINC001035244109 1343065075 /nfs/dbraw/zinc/06/50/75/1343065075.db2.gz ITVSZRRKSOKYNU-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1CC)CC2 ZINC001035259959 1343087387 /nfs/dbraw/zinc/08/73/87/1343087387.db2.gz KGTNPSJSKIJDBF-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)CC2 ZINC001035259959 1343087392 /nfs/dbraw/zinc/08/73/92/1343087392.db2.gz KGTNPSJSKIJDBF-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)CC2 ZINC001035259959 1343087395 /nfs/dbraw/zinc/08/73/95/1343087395.db2.gz KGTNPSJSKIJDBF-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC(CC)CC)C2)CC1 ZINC001035717861 1343150473 /nfs/dbraw/zinc/15/04/73/1343150473.db2.gz VAEIYAGXUWVLGW-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035721636 1343152052 /nfs/dbraw/zinc/15/20/52/1343152052.db2.gz XOCXJQXVZUAVDG-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001036099122 1343312788 /nfs/dbraw/zinc/31/27/88/1343312788.db2.gz XLWVYTNSUYVUDE-FUHWJXTLSA-N 2 1 337.552 3.122 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCC[C@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001037078388 1343970814 /nfs/dbraw/zinc/97/08/14/1343970814.db2.gz IZLJACGOFIUECH-OALUTQOASA-N 2 1 347.547 3.093 20 0 EGADMP CCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1CC ZINC001037934536 1344189582 /nfs/dbraw/zinc/18/95/82/1344189582.db2.gz NJUWMQSNOKCSQP-DLBZAZTESA-N 2 1 334.508 3.023 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038329249 1344382820 /nfs/dbraw/zinc/38/28/20/1344382820.db2.gz PASZNLIEXPJQCX-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCCC1 ZINC001038329249 1344382822 /nfs/dbraw/zinc/38/28/22/1344382822.db2.gz PASZNLIEXPJQCX-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001038329249 1344382823 /nfs/dbraw/zinc/38/28/23/1344382823.db2.gz PASZNLIEXPJQCX-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCC1 ZINC001038901821 1344642318 /nfs/dbraw/zinc/64/23/18/1344642318.db2.gz AJERMTKFVSMBPT-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCC1 ZINC001038901821 1344642319 /nfs/dbraw/zinc/64/23/19/1344642319.db2.gz AJERMTKFVSMBPT-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001038901821 1344642320 /nfs/dbraw/zinc/64/23/20/1344642320.db2.gz AJERMTKFVSMBPT-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039136963 1344816021 /nfs/dbraw/zinc/81/60/21/1344816021.db2.gz LEVHQOVWEZTBQA-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039137316 1344817248 /nfs/dbraw/zinc/81/72/48/1344817248.db2.gz GIKSRQICSFOKAJ-VQTJNVASSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039137316 1344817251 /nfs/dbraw/zinc/81/72/51/1344817251.db2.gz GIKSRQICSFOKAJ-VQTJNVASSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039137316 1344817255 /nfs/dbraw/zinc/81/72/55/1344817255.db2.gz GIKSRQICSFOKAJ-VQTJNVASSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([C@H]3CC[NH+](C(C)C)C3)CC2)C1 ZINC001039152359 1344835928 /nfs/dbraw/zinc/83/59/28/1344835928.db2.gz XPOXQZYWGQUEAM-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC([C@H]3CC[N@@H+](C(C)C)C3)CC2)C1 ZINC001039152359 1344835932 /nfs/dbraw/zinc/83/59/32/1344835932.db2.gz XPOXQZYWGQUEAM-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC([C@H]3CC[N@H+](C(C)C)C3)CC2)C1 ZINC001039152359 1344835938 /nfs/dbraw/zinc/83/59/38/1344835938.db2.gz XPOXQZYWGQUEAM-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039183123 1344881010 /nfs/dbraw/zinc/88/10/10/1344881010.db2.gz WOVRHNIGANDEOS-HXUWFJFHSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241778 1344967767 /nfs/dbraw/zinc/96/77/67/1344967767.db2.gz IIWPGSWOIOZVCT-PMACEKPBSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039258577 1344986752 /nfs/dbraw/zinc/98/67/52/1344986752.db2.gz XZVCSEVASYXIBT-WOJBJXKFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001039447747 1345072306 /nfs/dbraw/zinc/07/23/06/1345072306.db2.gz IGHXBQAXWZIPAW-AABGKKOBSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001039447747 1345072309 /nfs/dbraw/zinc/07/23/09/1345072309.db2.gz IGHXBQAXWZIPAW-AABGKKOBSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001039447747 1345072311 /nfs/dbraw/zinc/07/23/11/1345072311.db2.gz IGHXBQAXWZIPAW-AABGKKOBSA-N 2 1 349.563 3.361 20 0 EGADMP CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001039492396 1345112629 /nfs/dbraw/zinc/11/26/29/1345112629.db2.gz KXGDKVQVACYMHR-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001039913580 1345244980 /nfs/dbraw/zinc/24/49/80/1345244980.db2.gz AZAGKESDYZCCTB-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001039913580 1345244982 /nfs/dbraw/zinc/24/49/82/1345244982.db2.gz AZAGKESDYZCCTB-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001039913580 1345244985 /nfs/dbraw/zinc/24/49/85/1345244985.db2.gz AZAGKESDYZCCTB-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040261779 1345400333 /nfs/dbraw/zinc/40/03/33/1345400333.db2.gz AJQCNROVGQCOMY-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040261779 1345400334 /nfs/dbraw/zinc/40/03/34/1345400334.db2.gz AJQCNROVGQCOMY-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001040261779 1345400336 /nfs/dbraw/zinc/40/03/36/1345400336.db2.gz AJQCNROVGQCOMY-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040387604 1345471025 /nfs/dbraw/zinc/47/10/25/1345471025.db2.gz DTVSYLBLSNMGRS-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001040387604 1345471026 /nfs/dbraw/zinc/47/10/26/1345471026.db2.gz DTVSYLBLSNMGRS-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001040387604 1345471028 /nfs/dbraw/zinc/47/10/28/1345471028.db2.gz DTVSYLBLSNMGRS-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430340 1345492789 /nfs/dbraw/zinc/49/27/89/1345492789.db2.gz AWWVHGCVVDTKBA-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001040707455 1345568000 /nfs/dbraw/zinc/56/80/00/1345568000.db2.gz CFBHYQWYYDBDMC-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040726095 1345571332 /nfs/dbraw/zinc/57/13/32/1345571332.db2.gz IUUVSONDWYMCQH-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001040732319 1345572328 /nfs/dbraw/zinc/57/23/28/1345572328.db2.gz GSZPRMRFDFDCTJ-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@]3(CC[NH+](CCC(C)C)C3)C2)C1 ZINC001041587760 1345783749 /nfs/dbraw/zinc/78/37/49/1345783749.db2.gz RULQTQPMEGYFEA-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@]3(CC[N@H+](CCC(C)C)C3)C2)C1 ZINC001041587760 1345783753 /nfs/dbraw/zinc/78/37/53/1345783753.db2.gz RULQTQPMEGYFEA-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CCC(C)C)C3)C2)C1 ZINC001041587760 1345783755 /nfs/dbraw/zinc/78/37/55/1345783755.db2.gz RULQTQPMEGYFEA-FPOVZHCZSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041724490 1345833204 /nfs/dbraw/zinc/83/32/04/1345833204.db2.gz YYXGQGQSZIDAOU-PZJWPPBQSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041724490 1345833207 /nfs/dbraw/zinc/83/32/07/1345833207.db2.gz YYXGQGQSZIDAOU-PZJWPPBQSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041724490 1345833210 /nfs/dbraw/zinc/83/32/10/1345833210.db2.gz YYXGQGQSZIDAOU-PZJWPPBQSA-N 2 1 347.547 3.140 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041743985 1345838693 /nfs/dbraw/zinc/83/86/93/1345838693.db2.gz RRYYDBWMBGMZDF-OAQYLSRUSA-N 2 1 343.515 3.086 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041767613 1345843459 /nfs/dbraw/zinc/84/34/59/1345843459.db2.gz JUFZUNAUZXVERY-OAQYLSRUSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847127 1345871982 /nfs/dbraw/zinc/87/19/82/1345871982.db2.gz JCMFEWOKLOIBGR-TZIWHRDSSA-N 2 1 343.515 3.014 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001041847127 1345871985 /nfs/dbraw/zinc/87/19/85/1345871985.db2.gz JCMFEWOKLOIBGR-TZIWHRDSSA-N 2 1 343.515 3.014 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042063372 1345933386 /nfs/dbraw/zinc/93/33/86/1345933386.db2.gz VSPJMIQIWFYLSS-MOPGFXCFSA-N 2 1 347.547 3.140 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042371026 1346060760 /nfs/dbraw/zinc/06/07/60/1346060760.db2.gz KDXJICFJXFQXIC-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001042711707 1346108580 /nfs/dbraw/zinc/10/85/80/1346108580.db2.gz XTJBONXXDFUZOG-PMACEKPBSA-N 2 1 343.515 3.153 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001042711707 1346108581 /nfs/dbraw/zinc/10/85/81/1346108581.db2.gz XTJBONXXDFUZOG-PMACEKPBSA-N 2 1 343.515 3.153 20 0 EGADMP CCC(CC)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001042725130 1346110788 /nfs/dbraw/zinc/11/07/88/1346110788.db2.gz LPWVJPLKVVPIEA-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001043871099 1346217951 /nfs/dbraw/zinc/21/79/51/1346217951.db2.gz OHERLNLAUOAAKQ-LJQANCHMSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001043871099 1346217952 /nfs/dbraw/zinc/21/79/52/1346217952.db2.gz OHERLNLAUOAAKQ-LJQANCHMSA-N 2 1 343.515 3.012 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CC(CC)CC)C1 ZINC001044170978 1346265300 /nfs/dbraw/zinc/26/53/00/1346265300.db2.gz ZXXWRDMJWXDZCT-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1csc(C)c1 ZINC001045061139 1346488386 /nfs/dbraw/zinc/48/83/86/1346488386.db2.gz UDLVARYFZDQDAT-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001045068408 1346489204 /nfs/dbraw/zinc/48/92/04/1346489204.db2.gz KOQRTYJIJPJCOL-MSOLQXFVSA-N 2 1 349.544 3.092 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1(C)CC[NH+](CCCC2CCC2)CC1 ZINC001045528782 1346618000 /nfs/dbraw/zinc/61/80/00/1346618000.db2.gz DAYJEAMKZZMTTK-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001045584548 1346637134 /nfs/dbraw/zinc/63/71/34/1346637134.db2.gz GQPLIAASORDSDL-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP CC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC[NH+](CC2CCCC2)CC1 ZINC001045585056 1346637795 /nfs/dbraw/zinc/63/77/95/1346637795.db2.gz MHSHVQKIZUBPHV-RBUKOAKNSA-N 2 1 347.547 3.164 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001045790371 1346699342 /nfs/dbraw/zinc/69/93/42/1346699342.db2.gz HYYUYGKVWHSLJU-CEXWTWQISA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001045790371 1346699346 /nfs/dbraw/zinc/69/93/46/1346699346.db2.gz HYYUYGKVWHSLJU-CEXWTWQISA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001045790371 1346699347 /nfs/dbraw/zinc/69/93/47/1346699347.db2.gz HYYUYGKVWHSLJU-CEXWTWQISA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](C)C1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC2CCCCC2)CCC1 ZINC001045793746 1346699767 /nfs/dbraw/zinc/69/97/67/1346699767.db2.gz YYFAJMIVPBOYEA-MOPGFXCFSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045940577 1346776383 /nfs/dbraw/zinc/77/63/83/1346776383.db2.gz AYMQYLKWGPNHMM-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001045940577 1346776386 /nfs/dbraw/zinc/77/63/86/1346776386.db2.gz AYMQYLKWGPNHMM-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001045940577 1346776387 /nfs/dbraw/zinc/77/63/87/1346776387.db2.gz AYMQYLKWGPNHMM-CTNGQTDRSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001045977537 1346813532 /nfs/dbraw/zinc/81/35/32/1346813532.db2.gz GMOUCZOZCIXBFM-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCCC2CCCC2)C1 ZINC001046316022 1346931881 /nfs/dbraw/zinc/93/18/81/1346931881.db2.gz MHBXAOVNOBGYLP-PZJWPPBQSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCCC2CCCC2)C1 ZINC001046316022 1346931882 /nfs/dbraw/zinc/93/18/82/1346931882.db2.gz MHBXAOVNOBGYLP-PZJWPPBQSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCCC2CCCC2)C1 ZINC001046316022 1346931884 /nfs/dbraw/zinc/93/18/84/1346931884.db2.gz MHBXAOVNOBGYLP-PZJWPPBQSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@](C)(NC(=O)c3ccn4c[nH+]cc4c3)C2)cc1 ZINC001046453708 1346980168 /nfs/dbraw/zinc/98/01/68/1346980168.db2.gz IZADBMXFCDUDQC-NRFANRHFSA-N 2 1 348.450 3.037 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC3CCCCC3)C2)C1 ZINC001046561439 1347017858 /nfs/dbraw/zinc/01/78/58/1347017858.db2.gz GURSDQPLFZLHGF-CTNGQTDRSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CC3CCCCC3)C2)C1 ZINC001046561439 1347017860 /nfs/dbraw/zinc/01/78/60/1347017860.db2.gz GURSDQPLFZLHGF-CTNGQTDRSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001046561439 1347017861 /nfs/dbraw/zinc/01/78/61/1347017861.db2.gz GURSDQPLFZLHGF-CTNGQTDRSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCC3CCCCC3)C2)CC[N@H+]1C ZINC001046568754 1347021765 /nfs/dbraw/zinc/02/17/65/1347021765.db2.gz CDWVMRGOKHZTNM-CUWPLCDZSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001046568754 1347021766 /nfs/dbraw/zinc/02/17/66/1347021766.db2.gz CDWVMRGOKHZTNM-CUWPLCDZSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001046568754 1347021767 /nfs/dbraw/zinc/02/17/67/1347021767.db2.gz CDWVMRGOKHZTNM-CUWPLCDZSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001047243073 1347268814 /nfs/dbraw/zinc/26/88/14/1347268814.db2.gz VXRAIDIVTQVYNV-MISYRCLQSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC([C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001047245137 1347270589 /nfs/dbraw/zinc/27/05/89/1347270589.db2.gz XRRXXEUGMRTFMY-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048574184 1347600150 /nfs/dbraw/zinc/60/01/50/1347600150.db2.gz RRYGYJINMDEHCC-KNJMJIDISA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[N@@H+]31)C2 ZINC001048574184 1347600152 /nfs/dbraw/zinc/60/01/52/1347600152.db2.gz RRYGYJINMDEHCC-KNJMJIDISA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)C2 ZINC001048574184 1347600154 /nfs/dbraw/zinc/60/01/54/1347600154.db2.gz RRYGYJINMDEHCC-KNJMJIDISA-N 2 1 347.547 3.019 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048860822 1347672352 /nfs/dbraw/zinc/67/23/52/1347672352.db2.gz DELATNKIGWNBPU-ZCNNSNEGSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048860822 1347672356 /nfs/dbraw/zinc/67/23/56/1347672356.db2.gz DELATNKIGWNBPU-ZCNNSNEGSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001048860822 1347672358 /nfs/dbraw/zinc/67/23/58/1347672358.db2.gz DELATNKIGWNBPU-ZCNNSNEGSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC3CCCCCC3)C[C@@H]2C1)[NH+](C)C ZINC001049065971 1347717535 /nfs/dbraw/zinc/71/75/35/1347717535.db2.gz ATDBPFQTVIPXKK-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097791 1347724526 /nfs/dbraw/zinc/72/45/26/1347724526.db2.gz TYVPQVRXFLRXQY-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001049097791 1347724528 /nfs/dbraw/zinc/72/45/28/1347724528.db2.gz TYVPQVRXFLRXQY-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001049097791 1347724530 /nfs/dbraw/zinc/72/45/30/1347724530.db2.gz TYVPQVRXFLRXQY-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC(C)C)C[C@@H]2C1 ZINC001049165085 1347737459 /nfs/dbraw/zinc/73/74/59/1347737459.db2.gz GOQPKAZOGXWCGF-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]2C1 ZINC001049165085 1347737462 /nfs/dbraw/zinc/73/74/62/1347737462.db2.gz GOQPKAZOGXWCGF-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC(C)C)C[C@@H]2C1 ZINC001049165085 1347737463 /nfs/dbraw/zinc/73/74/63/1347737463.db2.gz GOQPKAZOGXWCGF-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC001049466123 1347861444 /nfs/dbraw/zinc/86/14/44/1347861444.db2.gz ZNBWNHZZXBUPSQ-GBESFXJTSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049466123 1347861450 /nfs/dbraw/zinc/86/14/50/1347861450.db2.gz ZNBWNHZZXBUPSQ-GBESFXJTSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C ZINC001049466123 1347861451 /nfs/dbraw/zinc/86/14/51/1347861451.db2.gz ZNBWNHZZXBUPSQ-GBESFXJTSA-N 2 1 349.563 3.361 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCC1CCC1)C1CCC1 ZINC001049521968 1347890328 /nfs/dbraw/zinc/89/03/28/1347890328.db2.gz NCZXLPHVHNKGDP-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC1CCC1)C1CCC1 ZINC001049521968 1347890330 /nfs/dbraw/zinc/89/03/30/1347890330.db2.gz NCZXLPHVHNKGDP-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC1CCC1)C1CCC1 ZINC001049521968 1347890332 /nfs/dbraw/zinc/89/03/32/1347890332.db2.gz NCZXLPHVHNKGDP-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCCC1)[NH+](C)C ZINC001049531590 1347894414 /nfs/dbraw/zinc/89/44/14/1347894414.db2.gz CJWWGGVJGBMRRH-AQNXPRMDSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCC1CCC1)[NH+](C)C ZINC001049533127 1347895249 /nfs/dbraw/zinc/89/52/49/1347895249.db2.gz MOONIKFQWRGSOL-ZCNNSNEGSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCCCC1)[NH+](C)C ZINC001049727562 1347991251 /nfs/dbraw/zinc/99/12/51/1347991251.db2.gz KEUHZGLOSNRYPS-UFYCRDLUSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCCCC1)[NH+](C)C ZINC001049727564 1347991424 /nfs/dbraw/zinc/99/14/24/1347991424.db2.gz KEUHZGLOSNRYPS-ZCNNSNEGSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049751144 1348000157 /nfs/dbraw/zinc/00/01/57/1348000157.db2.gz BMDLYVLWAGWURH-MSOLQXFVSA-N 2 1 344.503 3.038 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049751144 1348000158 /nfs/dbraw/zinc/00/01/58/1348000158.db2.gz BMDLYVLWAGWURH-MSOLQXFVSA-N 2 1 344.503 3.038 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049760659 1348005715 /nfs/dbraw/zinc/00/57/15/1348005715.db2.gz APBDAYFUPLDSKD-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)CC1 ZINC001050570997 1348291991 /nfs/dbraw/zinc/29/19/91/1348291991.db2.gz CKXWWZVKTLFPTM-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001079849028 1357400614 /nfs/dbraw/zinc/40/06/14/1357400614.db2.gz MRPNZPNVWIWXNT-NZSAHSFTSA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079849028 1357400615 /nfs/dbraw/zinc/40/06/15/1357400615.db2.gz MRPNZPNVWIWXNT-NZSAHSFTSA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079849028 1357400616 /nfs/dbraw/zinc/40/06/16/1357400616.db2.gz MRPNZPNVWIWXNT-NZSAHSFTSA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079850393 1357400656 /nfs/dbraw/zinc/40/06/56/1357400656.db2.gz LUBQQCLMXFSNQM-AHRSYUTCSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001079850393 1357400659 /nfs/dbraw/zinc/40/06/59/1357400659.db2.gz LUBQQCLMXFSNQM-AHRSYUTCSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001079850393 1357400661 /nfs/dbraw/zinc/40/06/61/1357400661.db2.gz LUBQQCLMXFSNQM-AHRSYUTCSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052369829 1348534401 /nfs/dbraw/zinc/53/44/01/1348534401.db2.gz VVAONPCMOJBIPT-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001052369829 1348534402 /nfs/dbraw/zinc/53/44/02/1348534402.db2.gz VVAONPCMOJBIPT-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001052369829 1348534404 /nfs/dbraw/zinc/53/44/04/1348534404.db2.gz VVAONPCMOJBIPT-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC001052767629 1348671408 /nfs/dbraw/zinc/67/14/08/1348671408.db2.gz XKVNBPXLVGKZBK-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001052936192 1348756069 /nfs/dbraw/zinc/75/60/69/1348756069.db2.gz YJBDIFVMSDOHET-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001052936192 1348756073 /nfs/dbraw/zinc/75/60/73/1348756073.db2.gz YJBDIFVMSDOHET-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001052955402 1348769984 /nfs/dbraw/zinc/76/99/84/1348769984.db2.gz FLVGDQYCXZNUFB-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001052955402 1348769985 /nfs/dbraw/zinc/76/99/85/1348769985.db2.gz FLVGDQYCXZNUFB-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001052955402 1348769988 /nfs/dbraw/zinc/76/99/88/1348769988.db2.gz FLVGDQYCXZNUFB-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001052956563 1348771052 /nfs/dbraw/zinc/77/10/52/1348771052.db2.gz UUJGMVMDVTYBKD-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC001052956563 1348771054 /nfs/dbraw/zinc/77/10/54/1348771054.db2.gz UUJGMVMDVTYBKD-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001052956563 1348771057 /nfs/dbraw/zinc/77/10/57/1348771057.db2.gz UUJGMVMDVTYBKD-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC(C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](C(C)C)CC1 ZINC001052995694 1348792087 /nfs/dbraw/zinc/79/20/87/1348792087.db2.gz ZIODBORFNNCAFO-KDURUIRLSA-N 2 1 349.563 3.361 20 0 EGADMP CCC(C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](C(C)C)CC1 ZINC001052995694 1348792088 /nfs/dbraw/zinc/79/20/88/1348792088.db2.gz ZIODBORFNNCAFO-KDURUIRLSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053029900 1348829204 /nfs/dbraw/zinc/82/92/04/1348829204.db2.gz XZXRLQHWGRHHRU-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053029900 1348829205 /nfs/dbraw/zinc/82/92/05/1348829205.db2.gz XZXRLQHWGRHHRU-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053029900 1348829207 /nfs/dbraw/zinc/82/92/07/1348829207.db2.gz XZXRLQHWGRHHRU-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053044574 1348845306 /nfs/dbraw/zinc/84/53/06/1348845306.db2.gz QEBMWTSLCKFQIZ-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053046360 1348848175 /nfs/dbraw/zinc/84/81/75/1348848175.db2.gz JMWMHTDLLIDSHC-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108532 1348947619 /nfs/dbraw/zinc/94/76/19/1348947619.db2.gz VVWGVSFVBCLVLZ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001054197613 1349199221 /nfs/dbraw/zinc/19/92/21/1349199221.db2.gz FVEDWQBGIVOFRU-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001054197613 1349199226 /nfs/dbraw/zinc/19/92/26/1349199226.db2.gz FVEDWQBGIVOFRU-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001054197613 1349199228 /nfs/dbraw/zinc/19/92/28/1349199228.db2.gz FVEDWQBGIVOFRU-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054198292 1349200155 /nfs/dbraw/zinc/20/01/55/1349200155.db2.gz UVPMLNYEQBCWNK-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001054198292 1349200158 /nfs/dbraw/zinc/20/01/58/1349200158.db2.gz UVPMLNYEQBCWNK-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001054198292 1349200166 /nfs/dbraw/zinc/20/01/66/1349200166.db2.gz UVPMLNYEQBCWNK-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](C(C)C)C2)C1 ZINC001054226480 1349220624 /nfs/dbraw/zinc/22/06/24/1349220624.db2.gz QUXLZVTVANCLQF-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001054226480 1349220629 /nfs/dbraw/zinc/22/06/29/1349220629.db2.gz QUXLZVTVANCLQF-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001054226480 1349220634 /nfs/dbraw/zinc/22/06/34/1349220634.db2.gz QUXLZVTVANCLQF-PZJWPPBQSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001054297493 1349301893 /nfs/dbraw/zinc/30/18/93/1349301893.db2.gz JZMCEPFJSGOVBL-NSHGMRRFSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCC(C)CC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254681 1357537405 /nfs/dbraw/zinc/53/74/05/1357537405.db2.gz BCKJQXINPUNIDK-JWHDQAAXSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1cc(F)c(C[NH+]2CCC(C3C[NH2+]C3)CC2)c(Br)c1 ZINC001235338063 1376868661 /nfs/dbraw/zinc/86/86/61/1376868661.db2.gz AHDNTRBDSXMQEY-UHFFFAOYSA-N 2 1 341.268 3.328 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C(C)C)C1 ZINC001183129574 1387267278 /nfs/dbraw/zinc/26/72/78/1387267278.db2.gz UXUWJVQWBRHSJJ-WSTZPKSXSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071628183 1354811776 /nfs/dbraw/zinc/81/17/76/1354811776.db2.gz NYTNFVIZPOTYBL-WBVHZDCISA-N 2 1 340.471 3.192 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@H+]1Cc1ccccc1 ZINC001071653046 1354827703 /nfs/dbraw/zinc/82/77/03/1354827703.db2.gz RLCHQYQRGKTODJ-VQIMIIECSA-N 2 1 348.450 3.117 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001071689982 1354853791 /nfs/dbraw/zinc/85/37/91/1354853791.db2.gz SPDBOUAXMGJSNK-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001071689982 1354853795 /nfs/dbraw/zinc/85/37/95/1354853795.db2.gz SPDBOUAXMGJSNK-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CCC1CCCC1 ZINC001071736087 1354888483 /nfs/dbraw/zinc/88/84/83/1354888483.db2.gz XIQLKBAGZNSJSG-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CC1CCCCCC1 ZINC001071796820 1354941626 /nfs/dbraw/zinc/94/16/26/1354941626.db2.gz YADSCSWLRDXNOZ-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CCCC1CCC1 ZINC001071822204 1354962710 /nfs/dbraw/zinc/96/27/10/1354962710.db2.gz VTXPTAMKPFIIHL-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CCCC1CCC1 ZINC001071822204 1354962713 /nfs/dbraw/zinc/96/27/13/1354962713.db2.gz VTXPTAMKPFIIHL-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CCCC1CCC1 ZINC001071822204 1354962715 /nfs/dbraw/zinc/96/27/15/1354962715.db2.gz VTXPTAMKPFIIHL-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CCC(C)(C)C ZINC001071870755 1354996085 /nfs/dbraw/zinc/99/60/85/1354996085.db2.gz DLWKAPNOKORJMF-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CCCC1CCC1 ZINC001071871724 1354996673 /nfs/dbraw/zinc/99/66/73/1354996673.db2.gz JYAYAUNSHJSTFV-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CC1CC(C)(C)C1 ZINC001071871993 1354996812 /nfs/dbraw/zinc/99/68/12/1354996812.db2.gz KPSDSEPKPQBXMR-QFBILLFUSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CCC1CCCC1 ZINC001071872666 1354998465 /nfs/dbraw/zinc/99/84/65/1354998465.db2.gz PJRPVIBETCACGA-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@@H+]1C/C=C\Cl ZINC001071898029 1355012685 /nfs/dbraw/zinc/01/26/85/1355012685.db2.gz TWCHETFHZPUQAZ-VCDNKMGCSA-N 2 1 349.906 3.083 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@H+]1C/C=C\Cl ZINC001071898029 1355012688 /nfs/dbraw/zinc/01/26/88/1355012688.db2.gz TWCHETFHZPUQAZ-VCDNKMGCSA-N 2 1 349.906 3.083 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCC3CCCC3)C2)CC1 ZINC001071930345 1355030342 /nfs/dbraw/zinc/03/03/42/1355030342.db2.gz CXBXJHHTRAQSCZ-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1C ZINC001072109357 1355136198 /nfs/dbraw/zinc/13/61/98/1355136198.db2.gz FSVXPWDFDQODSS-HZPDHXFCSA-N 2 1 335.492 3.114 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@@H]1C ZINC001074648741 1356221205 /nfs/dbraw/zinc/22/12/05/1356221205.db2.gz IHJOHSAXSHHHKN-IHPCNDPISA-N 2 1 349.563 3.409 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001074695332 1356224265 /nfs/dbraw/zinc/22/42/65/1356224265.db2.gz XGVHLWOACDGCHC-IHPCNDPISA-N 2 1 349.563 3.410 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C)c1 ZINC001074687072 1356224367 /nfs/dbraw/zinc/22/43/67/1356224367.db2.gz PTUFAVQEYPZRBQ-UWVAXJGDSA-N 2 1 343.515 3.119 20 0 EGADMP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001099257577 1363717920 /nfs/dbraw/zinc/71/79/20/1363717920.db2.gz IAWPISVDHBBQMX-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001099257577 1363717923 /nfs/dbraw/zinc/71/79/23/1363717923.db2.gz IAWPISVDHBBQMX-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1 ZINC001082852207 1358099214 /nfs/dbraw/zinc/09/92/14/1358099214.db2.gz ZNQPGJBBMWGICL-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085199671 1358432090 /nfs/dbraw/zinc/43/20/90/1358432090.db2.gz XORVDWXVESIMGK-BHIYHBOVSA-N 2 1 335.536 3.066 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001085245837 1358443268 /nfs/dbraw/zinc/44/32/68/1358443268.db2.gz PDWBRFGPJRFFFV-AQNXPRMDSA-N 2 1 347.547 3.378 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001085348858 1358476092 /nfs/dbraw/zinc/47/60/92/1358476092.db2.gz BBUMDXJZGUQVTF-QZTJIDSGSA-N 2 1 346.519 3.214 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001085432016 1358498327 /nfs/dbraw/zinc/49/83/27/1358498327.db2.gz DWHYSTYKRFLKPU-AQNXPRMDSA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085593830 1358620025 /nfs/dbraw/zinc/62/00/25/1358620025.db2.gz SGEIXBZAYCSNFN-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001085593830 1358620029 /nfs/dbraw/zinc/62/00/29/1358620029.db2.gz SGEIXBZAYCSNFN-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001085593830 1358620033 /nfs/dbraw/zinc/62/00/33/1358620033.db2.gz SGEIXBZAYCSNFN-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCC2CCCC2)CC[N@H+]1C ZINC001085603999 1358627444 /nfs/dbraw/zinc/62/74/44/1358627444.db2.gz UHTOPBOLCYPJIU-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCC2CCCC2)CC[NH+]1C ZINC001085603999 1358627446 /nfs/dbraw/zinc/62/74/46/1358627446.db2.gz UHTOPBOLCYPJIU-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCCC2CCCC2)CC[NH+]1C ZINC001085603999 1358627448 /nfs/dbraw/zinc/62/74/48/1358627448.db2.gz UHTOPBOLCYPJIU-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCC1 ZINC001085687559 1358688100 /nfs/dbraw/zinc/68/81/00/1358688100.db2.gz QQDHTKYBNAJXIH-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC1CCC1 ZINC001085687559 1358688103 /nfs/dbraw/zinc/68/81/03/1358688103.db2.gz QQDHTKYBNAJXIH-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCC1 ZINC001085687559 1358688106 /nfs/dbraw/zinc/68/81/06/1358688106.db2.gz QQDHTKYBNAJXIH-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CC1CCCCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001085696039 1358691424 /nfs/dbraw/zinc/69/14/24/1358691424.db2.gz YJELGUWSSXPJOM-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCCC1CCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001085695959 1358691676 /nfs/dbraw/zinc/69/16/76/1358691676.db2.gz WEWPFZZUYRYBDX-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC2CC(C)(C)C2)CC1 ZINC001085901412 1358860331 /nfs/dbraw/zinc/86/03/31/1358860331.db2.gz DWSKJLSDRBKXOT-LJQANCHMSA-N 2 1 349.563 3.076 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001085987733 1358939670 /nfs/dbraw/zinc/93/96/70/1358939670.db2.gz KKWRRXXUIRKZGD-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001085987733 1358939674 /nfs/dbraw/zinc/93/96/74/1358939674.db2.gz KKWRRXXUIRKZGD-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001085987733 1358939675 /nfs/dbraw/zinc/93/96/75/1358939675.db2.gz KKWRRXXUIRKZGD-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCC(C)CC3)C2)CC[N@H+]1C ZINC001086091166 1358993254 /nfs/dbraw/zinc/99/32/54/1358993254.db2.gz MBGXQTCPGXLACW-LPLOCXIKSA-N 2 1 349.563 3.027 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001086102123 1358997962 /nfs/dbraw/zinc/99/79/62/1358997962.db2.gz JXHZHDBFMZLBQL-ZCNNSNEGSA-N 2 1 349.563 3.316 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001086250875 1359042417 /nfs/dbraw/zinc/04/24/17/1359042417.db2.gz QJGHIKDBGMCRBR-ZCFHBRKKSA-N 2 1 349.563 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086278189 1359051432 /nfs/dbraw/zinc/05/14/32/1359051432.db2.gz LEOLMMWXHQADBP-ZCFHBRKKSA-N 2 1 349.563 3.172 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086402131 1359087799 /nfs/dbraw/zinc/08/77/99/1359087799.db2.gz IZIFATPUVXVUOD-CGBFIWBNSA-N 2 1 343.515 3.025 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001086403160 1359088668 /nfs/dbraw/zinc/08/86/68/1359088668.db2.gz YFHLATGNBKQEMJ-LFGUQSLTSA-N 2 1 343.515 3.025 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CCCC3)C2)CC[N@H+]1C ZINC001086701252 1359187943 /nfs/dbraw/zinc/18/79/43/1359187943.db2.gz LWFFJZGPHLPDQU-ZGXWSNOMSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086711867 1359190393 /nfs/dbraw/zinc/19/03/93/1359190393.db2.gz FOGFSOOYLJODLB-UHOSZYNNSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC001086715638 1359190755 /nfs/dbraw/zinc/19/07/55/1359190755.db2.gz PWZWULPVOHDNHY-XUVXKRRUSA-N 2 1 349.563 3.029 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001086734333 1359192919 /nfs/dbraw/zinc/19/29/19/1359192919.db2.gz CQWUUJLXSYVEEW-XUVXKRRUSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001086734334 1359193210 /nfs/dbraw/zinc/19/32/10/1359193210.db2.gz CQWUUJLXSYVEEW-ZCNNSNEGSA-N 2 1 349.563 3.316 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925190 1359250168 /nfs/dbraw/zinc/25/01/68/1359250168.db2.gz NUDDSEVRJVHZSE-GBESFXJTSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC2(C[C@H]1C)CC[NH+](C(C)C)CC2 ZINC001086926968 1359252203 /nfs/dbraw/zinc/25/22/03/1359252203.db2.gz OTSOWLFVOPPEDY-MOPGFXCFSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086952252 1359272578 /nfs/dbraw/zinc/27/25/78/1359272578.db2.gz DAKMLJSZEPGFJR-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@H+]1Cc1ccsc1 ZINC001087569984 1359536435 /nfs/dbraw/zinc/53/64/35/1359536435.db2.gz VHJYEURNNCYYNJ-RCCFBDPRSA-N 2 1 349.544 3.090 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC[NH+]1Cc1ccsc1 ZINC001087569984 1359536438 /nfs/dbraw/zinc/53/64/38/1359536438.db2.gz VHJYEURNNCYYNJ-RCCFBDPRSA-N 2 1 349.544 3.090 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC[NH+]1Cc1ccsc1 ZINC001087569984 1359536440 /nfs/dbraw/zinc/53/64/40/1359536440.db2.gz VHJYEURNNCYYNJ-RCCFBDPRSA-N 2 1 349.544 3.090 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)[C@@H]1CC ZINC001087593415 1359546473 /nfs/dbraw/zinc/54/64/73/1359546473.db2.gz GCLCTPDZRUVXEN-IPMKNSEASA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)[C@@H]1CC ZINC001087593415 1359546476 /nfs/dbraw/zinc/54/64/76/1359546476.db2.gz GCLCTPDZRUVXEN-IPMKNSEASA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@@H]1CC ZINC001087593415 1359546478 /nfs/dbraw/zinc/54/64/78/1359546478.db2.gz GCLCTPDZRUVXEN-IPMKNSEASA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1CCC1CCCCC1 ZINC001087725299 1359612627 /nfs/dbraw/zinc/61/26/27/1359612627.db2.gz KISBBCVFCZXPDM-YSIASYRMSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1CCC1CCCCC1 ZINC001087725299 1359612630 /nfs/dbraw/zinc/61/26/30/1359612630.db2.gz KISBBCVFCZXPDM-YSIASYRMSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1CCC1CCCCC1 ZINC001087725299 1359612634 /nfs/dbraw/zinc/61/26/34/1359612634.db2.gz KISBBCVFCZXPDM-YSIASYRMSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC[N@H+]1CC1CCC1 ZINC001087749475 1359626487 /nfs/dbraw/zinc/62/64/87/1359626487.db2.gz MVEJNWZGUJIPFC-OTWHNJEPSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC[NH+]1CC1CCC1 ZINC001087749475 1359626491 /nfs/dbraw/zinc/62/64/91/1359626491.db2.gz MVEJNWZGUJIPFC-OTWHNJEPSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC[NH+]1CC1CCC1 ZINC001087749475 1359626494 /nfs/dbraw/zinc/62/64/94/1359626494.db2.gz MVEJNWZGUJIPFC-OTWHNJEPSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC[N@H+]1CC=C(C)C ZINC001087749585 1359626783 /nfs/dbraw/zinc/62/67/83/1359626783.db2.gz QISQQNWTYKRYCT-OTWHNJEPSA-N 2 1 335.536 3.185 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC[NH+]1CC=C(C)C ZINC001087749585 1359626785 /nfs/dbraw/zinc/62/67/85/1359626785.db2.gz QISQQNWTYKRYCT-OTWHNJEPSA-N 2 1 335.536 3.185 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC[NH+]1CC=C(C)C ZINC001087749585 1359626788 /nfs/dbraw/zinc/62/67/88/1359626788.db2.gz QISQQNWTYKRYCT-OTWHNJEPSA-N 2 1 335.536 3.185 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)[C@@H]1CC ZINC001087791900 1359648487 /nfs/dbraw/zinc/64/84/87/1359648487.db2.gz BVHDUWLIBFRMLS-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1CC ZINC001087791900 1359648489 /nfs/dbraw/zinc/64/84/89/1359648489.db2.gz BVHDUWLIBFRMLS-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)[C@@H]1CC ZINC001087791900 1359648492 /nfs/dbraw/zinc/64/84/92/1359648492.db2.gz BVHDUWLIBFRMLS-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001087828899 1359667312 /nfs/dbraw/zinc/66/73/12/1359667312.db2.gz YUFCEVYODWAOKL-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC1CCC2(CC2)CC1 ZINC001087828899 1359667318 /nfs/dbraw/zinc/66/73/18/1359667318.db2.gz YUFCEVYODWAOKL-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3nonc3c2)CC1 ZINC001184206926 1387414745 /nfs/dbraw/zinc/41/47/45/1387414745.db2.gz OFAZUVBEENIQCS-AUUYWEPGSA-N 2 1 328.460 3.356 20 0 EGADMP C[N@@H+](CC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccsc2)C1)C1CCC1 ZINC001088327100 1359831291 /nfs/dbraw/zinc/83/12/91/1359831291.db2.gz FZHIZZZJTOWHPH-QGZVFWFLSA-N 2 1 349.544 3.093 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001088425372 1359893644 /nfs/dbraw/zinc/89/36/44/1359893644.db2.gz ULLTZBDGGBYPOH-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001088427077 1359894860 /nfs/dbraw/zinc/89/48/60/1359894860.db2.gz MICCUHHSJQEEJG-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001088427289 1359895187 /nfs/dbraw/zinc/89/51/87/1359895187.db2.gz RXQCOAJMWFMETO-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](Cc2ccsc2)[C@@H]1C ZINC001088621786 1359993537 /nfs/dbraw/zinc/99/35/37/1359993537.db2.gz TVWDXOXWPSUYRV-NXHRZFHOSA-N 2 1 349.544 3.090 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](Cc2ccsc2)[C@@H]1C ZINC001088621786 1359993541 /nfs/dbraw/zinc/99/35/41/1359993541.db2.gz TVWDXOXWPSUYRV-NXHRZFHOSA-N 2 1 349.544 3.090 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)[C@@H]1C ZINC001088621786 1359993542 /nfs/dbraw/zinc/99/35/42/1359993542.db2.gz TVWDXOXWPSUYRV-NXHRZFHOSA-N 2 1 349.544 3.090 20 0 EGADMP Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@H]2C)c1 ZINC001088708037 1360016658 /nfs/dbraw/zinc/01/66/58/1360016658.db2.gz BDMIIGLIKWKMTG-UZLBHIALSA-N 2 1 348.450 3.036 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897718 1360097643 /nfs/dbraw/zinc/09/76/43/1360097643.db2.gz UQJUOPXGQRGKAF-HBFSDRIKSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1cccc(C)c1)[NH+](C)C ZINC001089191931 1360240267 /nfs/dbraw/zinc/24/02/67/1360240267.db2.gz IFDIDAOOKUWSFA-VQTJNVASSA-N 2 1 345.531 3.148 20 0 EGADMP C[C@@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCC1)[NH+]1CCCCCC1 ZINC001089236052 1360274512 /nfs/dbraw/zinc/27/45/12/1360274512.db2.gz HQHJCPJDCYSBGL-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CC2)c1 ZINC001089259046 1360288426 /nfs/dbraw/zinc/28/84/26/1360288426.db2.gz BNRCGDRFTZGPOK-FQEVSTJZSA-N 2 1 343.515 3.085 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334516 1360348091 /nfs/dbraw/zinc/34/80/91/1360348091.db2.gz IJNOFRIONIBDEU-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089334516 1360348094 /nfs/dbraw/zinc/34/80/94/1360348094.db2.gz IJNOFRIONIBDEU-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089334516 1360348098 /nfs/dbraw/zinc/34/80/98/1360348098.db2.gz IJNOFRIONIBDEU-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCCC3CCC3)CC(C)(C)C2)C1 ZINC001089558195 1360506876 /nfs/dbraw/zinc/50/68/76/1360506876.db2.gz FPEGRMOVUNIUHE-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CCCC3CCC3)CC(C)(C)C2)C1 ZINC001089558195 1360506877 /nfs/dbraw/zinc/50/68/77/1360506877.db2.gz FPEGRMOVUNIUHE-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCCC3CCC3)CC(C)(C)C2)C1 ZINC001089558195 1360506882 /nfs/dbraw/zinc/50/68/82/1360506882.db2.gz FPEGRMOVUNIUHE-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC(C)(C)C1 ZINC001089561973 1360509011 /nfs/dbraw/zinc/50/90/11/1360509011.db2.gz VGAHJEYMMZSUEV-LJQANCHMSA-N 2 1 345.531 3.377 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089639388 1360552956 /nfs/dbraw/zinc/55/29/56/1360552956.db2.gz VJEVAXRSFQZVNK-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001089639388 1360552958 /nfs/dbraw/zinc/55/29/58/1360552958.db2.gz VJEVAXRSFQZVNK-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCC1 ZINC001089639388 1360552960 /nfs/dbraw/zinc/55/29/60/1360552960.db2.gz VJEVAXRSFQZVNK-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089665114 1360575597 /nfs/dbraw/zinc/57/55/97/1360575597.db2.gz UNMTWXQKGVFMKV-QGZVFWFLSA-N 2 1 342.487 3.355 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CC2)C1 ZINC001089683771 1360589812 /nfs/dbraw/zinc/58/98/12/1360589812.db2.gz FXAQGRIFZIXHNJ-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC2CC2)C1 ZINC001089683771 1360589814 /nfs/dbraw/zinc/58/98/14/1360589814.db2.gz FXAQGRIFZIXHNJ-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC2CC2)C1 ZINC001089683771 1360589816 /nfs/dbraw/zinc/58/98/16/1360589816.db2.gz FXAQGRIFZIXHNJ-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001092604555 1361420293 /nfs/dbraw/zinc/42/02/93/1361420293.db2.gz MHZYPCGBFFOQHB-MISYRCLQSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001092604555 1361420297 /nfs/dbraw/zinc/42/02/97/1361420297.db2.gz MHZYPCGBFFOQHB-MISYRCLQSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C ZINC001092604555 1361420301 /nfs/dbraw/zinc/42/03/01/1361420301.db2.gz MHZYPCGBFFOQHB-MISYRCLQSA-N 2 1 347.547 3.044 20 0 EGADMP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001184711894 1387517256 /nfs/dbraw/zinc/51/72/56/1387517256.db2.gz HVMWADUPVNLQGB-AEFFLSMTSA-N 2 1 339.568 3.227 20 0 EGADMP CCCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093379765 1361590712 /nfs/dbraw/zinc/59/07/12/1361590712.db2.gz INIZEARUMKINLN-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001093836058 1361704238 /nfs/dbraw/zinc/70/42/38/1361704238.db2.gz UQQZQFXKKGOHBS-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450452 1361806266 /nfs/dbraw/zinc/80/62/66/1361806266.db2.gz PJVPNXXPMCWMJL-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001094450452 1361806271 /nfs/dbraw/zinc/80/62/71/1361806271.db2.gz PJVPNXXPMCWMJL-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001094450452 1361806276 /nfs/dbraw/zinc/80/62/76/1361806276.db2.gz PJVPNXXPMCWMJL-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001184891398 1387555892 /nfs/dbraw/zinc/55/58/92/1387555892.db2.gz FVUBPQXADHGKFN-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCC2)CC[N@H+]1C ZINC001095441089 1362142385 /nfs/dbraw/zinc/14/23/85/1362142385.db2.gz NTCMOOWUAZWFTL-CXQPBAHBSA-N 2 1 347.547 3.019 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCC2)CC[NH+]1C ZINC001095441089 1362142388 /nfs/dbraw/zinc/14/23/88/1362142388.db2.gz NTCMOOWUAZWFTL-CXQPBAHBSA-N 2 1 347.547 3.019 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCC2)CC[NH+]1C ZINC001095441089 1362142390 /nfs/dbraw/zinc/14/23/90/1362142390.db2.gz NTCMOOWUAZWFTL-CXQPBAHBSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095533740 1362163458 /nfs/dbraw/zinc/16/34/58/1362163458.db2.gz LPLOJFYPPFKVRW-FYQPLNBISA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001095533740 1362163459 /nfs/dbraw/zinc/16/34/59/1362163459.db2.gz LPLOJFYPPFKVRW-FYQPLNBISA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001095533740 1362163461 /nfs/dbraw/zinc/16/34/61/1362163461.db2.gz LPLOJFYPPFKVRW-FYQPLNBISA-N 2 1 347.547 3.161 20 0 EGADMP CCC(CC)C[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001324233813 1387563119 /nfs/dbraw/zinc/56/31/19/1387563119.db2.gz DEKNPCNQGNNKSB-QGZVFWFLSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(C)(C)C)CC1 ZINC001096269500 1362452415 /nfs/dbraw/zinc/45/24/15/1362452415.db2.gz VVWBWYRJJAXEAE-QYZOEREBSA-N 2 1 349.563 3.265 20 0 EGADMP CC1CC(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C3)C1 ZINC001097075616 1362834044 /nfs/dbraw/zinc/83/40/44/1362834044.db2.gz YCQAUEFFVYWJLW-JIARVOFWSA-N 2 1 347.547 3.019 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001097176949 1362874858 /nfs/dbraw/zinc/87/48/58/1362874858.db2.gz CPOZOEFGYBDFFJ-AKHDSKFASA-N 2 1 347.547 3.019 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1 ZINC001097176949 1362874859 /nfs/dbraw/zinc/87/48/59/1362874859.db2.gz CPOZOEFGYBDFFJ-AKHDSKFASA-N 2 1 347.547 3.019 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1 ZINC001097176949 1362874863 /nfs/dbraw/zinc/87/48/63/1362874863.db2.gz CPOZOEFGYBDFFJ-AKHDSKFASA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001097220366 1362890473 /nfs/dbraw/zinc/89/04/73/1362890473.db2.gz PWUGDPVEPHCTSK-MKXGPGLRSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001097220366 1362890475 /nfs/dbraw/zinc/89/04/75/1362890475.db2.gz PWUGDPVEPHCTSK-MKXGPGLRSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001097220366 1362890479 /nfs/dbraw/zinc/89/04/79/1362890479.db2.gz PWUGDPVEPHCTSK-MKXGPGLRSA-N 2 1 349.563 3.407 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C)CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001324340059 1387599262 /nfs/dbraw/zinc/59/92/62/1387599262.db2.gz PMOIVSQMXZTOLX-SFHVURJKSA-N 2 1 345.531 3.369 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001097343017 1362944037 /nfs/dbraw/zinc/94/40/37/1362944037.db2.gz DOSRWKNQBJVIQX-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001097343017 1362944038 /nfs/dbraw/zinc/94/40/38/1362944038.db2.gz DOSRWKNQBJVIQX-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001097343017 1362944042 /nfs/dbraw/zinc/94/40/42/1362944042.db2.gz DOSRWKNQBJVIQX-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001097343017 1362944044 /nfs/dbraw/zinc/94/40/44/1362944044.db2.gz DOSRWKNQBJVIQX-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098875044 1363501340 /nfs/dbraw/zinc/50/13/40/1363501340.db2.gz LYKVJZZOMXRLCB-ZVDOUQERSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098875044 1363501344 /nfs/dbraw/zinc/50/13/44/1363501344.db2.gz LYKVJZZOMXRLCB-ZVDOUQERSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098875044 1363501345 /nfs/dbraw/zinc/50/13/45/1363501345.db2.gz LYKVJZZOMXRLCB-ZVDOUQERSA-N 2 1 347.547 3.186 20 0 EGADMP CCCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001098976243 1363551902 /nfs/dbraw/zinc/55/19/02/1363551902.db2.gz RMEIEXDBWUANDP-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001098976243 1363551904 /nfs/dbraw/zinc/55/19/04/1363551904.db2.gz RMEIEXDBWUANDP-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001098976243 1363551908 /nfs/dbraw/zinc/55/19/08/1363551908.db2.gz RMEIEXDBWUANDP-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001099115743 1363631882 /nfs/dbraw/zinc/63/18/82/1363631882.db2.gz IZQKSFWPOYCHAT-RBUKOAKNSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115743 1363631886 /nfs/dbraw/zinc/63/18/86/1363631886.db2.gz IZQKSFWPOYCHAT-RBUKOAKNSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115743 1363631888 /nfs/dbraw/zinc/63/18/88/1363631888.db2.gz IZQKSFWPOYCHAT-RBUKOAKNSA-N 2 1 349.563 3.434 20 0 EGADMP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1C/C=C/Cl ZINC001099130289 1363642326 /nfs/dbraw/zinc/64/23/26/1363642326.db2.gz KAXGZZGSMFRJCS-SHQCLWGWSA-N 2 1 343.943 3.076 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1C/C=C/Cl ZINC001099130289 1363642327 /nfs/dbraw/zinc/64/23/27/1363642327.db2.gz KAXGZZGSMFRJCS-SHQCLWGWSA-N 2 1 343.943 3.076 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1C/C=C/Cl ZINC001099130289 1363642329 /nfs/dbraw/zinc/64/23/29/1363642329.db2.gz KAXGZZGSMFRJCS-SHQCLWGWSA-N 2 1 343.943 3.076 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1C/C=C/Cl ZINC001099130289 1363642330 /nfs/dbraw/zinc/64/23/30/1363642330.db2.gz KAXGZZGSMFRJCS-SHQCLWGWSA-N 2 1 343.943 3.076 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099241326 1363710001 /nfs/dbraw/zinc/71/00/01/1363710001.db2.gz YQZAQLOVGDCQEU-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001099241326 1363710005 /nfs/dbraw/zinc/71/00/05/1363710005.db2.gz YQZAQLOVGDCQEU-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001099241326 1363710007 /nfs/dbraw/zinc/71/00/07/1363710007.db2.gz YQZAQLOVGDCQEU-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCC(C)C ZINC001099275931 1363727236 /nfs/dbraw/zinc/72/72/36/1363727236.db2.gz LPULHNCXMHBUBA-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP C[NH+](C)CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1C/C=C\Cl ZINC001099310670 1363743652 /nfs/dbraw/zinc/74/36/52/1363743652.db2.gz SGLGLPBZFWWWEF-MRDWYFFCSA-N 2 1 343.943 3.078 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354207 1363768633 /nfs/dbraw/zinc/76/86/33/1363768633.db2.gz OFHPTCZPEVDQKT-GIFJBRJJSA-N 2 1 337.552 3.290 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001099354207 1363768636 /nfs/dbraw/zinc/76/86/36/1363768636.db2.gz OFHPTCZPEVDQKT-GIFJBRJJSA-N 2 1 337.552 3.290 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001099354207 1363768638 /nfs/dbraw/zinc/76/86/38/1363768638.db2.gz OFHPTCZPEVDQKT-GIFJBRJJSA-N 2 1 337.552 3.290 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099355354 1363769189 /nfs/dbraw/zinc/76/91/89/1363769189.db2.gz ZPAJABGWBCWSNW-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCC[NH2+]C1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001100346168 1364086520 /nfs/dbraw/zinc/08/65/20/1364086520.db2.gz UDDXAEXHXPSQBY-GTPINHCMSA-N 2 1 334.508 3.071 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001100721042 1364234661 /nfs/dbraw/zinc/23/46/61/1364234661.db2.gz BBYFWXCQGSIPSL-UHFFFAOYSA-N 2 1 348.535 3.317 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+][C@H](C)c2ccccc2C)C1 ZINC001100898636 1364320642 /nfs/dbraw/zinc/32/06/42/1364320642.db2.gz SFBVDKHCDVRXMO-LMDPOFIKSA-N 2 1 345.531 3.272 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001100901702 1364322593 /nfs/dbraw/zinc/32/25/93/1364322593.db2.gz JTONPNHTGJNEQJ-UHFFFAOYSA-N 2 1 337.552 3.029 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101267839 1364492037 /nfs/dbraw/zinc/49/20/37/1364492037.db2.gz UVXJMLJIDUZFFF-DYXWJJEUSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001101267839 1364492042 /nfs/dbraw/zinc/49/20/42/1364492042.db2.gz UVXJMLJIDUZFFF-DYXWJJEUSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001101267839 1364492046 /nfs/dbraw/zinc/49/20/46/1364492046.db2.gz UVXJMLJIDUZFFF-DYXWJJEUSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101381360 1364538272 /nfs/dbraw/zinc/53/82/72/1364538272.db2.gz NMQQNNTWTGJETB-DYXWJJEUSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001101381360 1364538275 /nfs/dbraw/zinc/53/82/75/1364538275.db2.gz NMQQNNTWTGJETB-DYXWJJEUSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001101381360 1364538278 /nfs/dbraw/zinc/53/82/78/1364538278.db2.gz NMQQNNTWTGJETB-DYXWJJEUSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474426 1364575838 /nfs/dbraw/zinc/57/58/38/1364575838.db2.gz YNQAWXQFLRRRCX-CTNGQTDRSA-N 2 1 349.563 3.223 20 0 EGADMP CC/C=C/CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001101522055 1364597045 /nfs/dbraw/zinc/59/70/45/1364597045.db2.gz LCLWOCKHPGDRKO-GHOSXJJBSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001101548740 1364612421 /nfs/dbraw/zinc/61/24/21/1364612421.db2.gz GZBYZJPGCJTXKH-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C(C)(C)C[NH2+]CC=C(C)C)CC1 ZINC001101588288 1364638548 /nfs/dbraw/zinc/63/85/48/1364638548.db2.gz DZRZPQQJFLRQIB-UHFFFAOYSA-N 2 1 337.552 3.149 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001101976292 1364796406 /nfs/dbraw/zinc/79/64/06/1364796406.db2.gz VOUUZTOAFSXZHE-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001102151899 1364893816 /nfs/dbraw/zinc/89/38/16/1364893816.db2.gz NNCHWNNSYZBIGD-SJLPKXTDSA-N 2 1 342.487 3.068 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)c1 ZINC001102320934 1364999817 /nfs/dbraw/zinc/99/98/17/1364999817.db2.gz ZXBACEQEJGHTMW-GUDVDZBRSA-N 2 1 345.531 3.000 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC001185444827 1387718211 /nfs/dbraw/zinc/71/82/11/1387718211.db2.gz CASOTQDNIIPYBZ-AZUAARDMSA-N 2 1 349.563 3.293 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CCC(C)C)C[C@H]1C ZINC001102472070 1365074050 /nfs/dbraw/zinc/07/40/50/1365074050.db2.gz GKWXHJVHPNTFBR-RTBURBONSA-N 2 1 339.568 3.229 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C ZINC001102472070 1365074053 /nfs/dbraw/zinc/07/40/53/1365074053.db2.gz GKWXHJVHPNTFBR-RTBURBONSA-N 2 1 339.568 3.229 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001102472070 1365074058 /nfs/dbraw/zinc/07/40/58/1365074058.db2.gz GKWXHJVHPNTFBR-RTBURBONSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001102523840 1365097745 /nfs/dbraw/zinc/09/77/45/1365097745.db2.gz MYNKAULABZFSEH-WSTZPKSXSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001102523840 1365097750 /nfs/dbraw/zinc/09/77/50/1365097750.db2.gz MYNKAULABZFSEH-WSTZPKSXSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001102523840 1365097751 /nfs/dbraw/zinc/09/77/51/1365097751.db2.gz MYNKAULABZFSEH-WSTZPKSXSA-N 2 1 345.531 3.164 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102583027 1365124093 /nfs/dbraw/zinc/12/40/93/1365124093.db2.gz LMHAHDWDDOWPKX-TZFVZSICSA-N 2 1 349.563 3.293 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102583028 1365124493 /nfs/dbraw/zinc/12/44/93/1365124493.db2.gz LMHAHDWDDOWPKX-WEPWYQGCSA-N 2 1 349.563 3.293 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103085253 1365372645 /nfs/dbraw/zinc/37/26/45/1365372645.db2.gz NSVQVSTYWSURRG-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001103085253 1365372647 /nfs/dbraw/zinc/37/26/47/1365372647.db2.gz NSVQVSTYWSURRG-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001103085253 1365372651 /nfs/dbraw/zinc/37/26/51/1365372651.db2.gz NSVQVSTYWSURRG-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001103192202 1365428333 /nfs/dbraw/zinc/42/83/33/1365428333.db2.gz GAHIKFALZLKSNO-JFIYKMOQSA-N 2 1 342.487 3.068 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CCCC(C)C)[C@@H](C)C1 ZINC001185550592 1387745893 /nfs/dbraw/zinc/74/58/93/1387745893.db2.gz VKHYXDOKJDHWLN-RBUKOAKNSA-N 2 1 339.568 3.229 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001185547499 1387744973 /nfs/dbraw/zinc/74/49/73/1387744973.db2.gz HZQRMIXYWUWEKI-VANUVFSVSA-N 2 1 337.552 3.149 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001103757046 1365767131 /nfs/dbraw/zinc/76/71/31/1365767131.db2.gz KEHRSJYRYYRJNN-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001103757046 1365767133 /nfs/dbraw/zinc/76/71/33/1365767133.db2.gz KEHRSJYRYYRJNN-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001103757046 1365767136 /nfs/dbraw/zinc/76/71/36/1365767136.db2.gz KEHRSJYRYYRJNN-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001104185498 1365941349 /nfs/dbraw/zinc/94/13/49/1365941349.db2.gz GEZJRKTVSWRXCS-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001324817438 1387782673 /nfs/dbraw/zinc/78/26/73/1387782673.db2.gz IJWZQPFAQLDMBB-UZLBHIALSA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104683508 1366130648 /nfs/dbraw/zinc/13/06/48/1366130648.db2.gz LJYSXCHLYQXRKX-QZTJIDSGSA-N 2 1 339.568 3.085 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001104874064 1366206337 /nfs/dbraw/zinc/20/63/37/1366206337.db2.gz MZYGOOJCGBAMSP-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104909081 1366219511 /nfs/dbraw/zinc/21/95/11/1366219511.db2.gz WOCWKOGFXJJQCC-AHSYYPKJSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105066672 1366303821 /nfs/dbraw/zinc/30/38/21/1366303821.db2.gz BBIXPVAJTZHVRU-IPMKNSEASA-N 2 1 339.568 3.083 20 0 EGADMP CC(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001105518515 1366505993 /nfs/dbraw/zinc/50/59/93/1366505993.db2.gz ZZTPOOCQUHXGQO-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CCC1 ZINC001105541564 1366520059 /nfs/dbraw/zinc/52/00/59/1366520059.db2.gz DOSQCVRBYATINO-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C2(C[NH2+]CC)CCC2)C1 ZINC001105556951 1366529809 /nfs/dbraw/zinc/52/98/09/1366529809.db2.gz TUTHJWDSHNLIGD-RBUKOAKNSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC(C)C)CCC1 ZINC001105572127 1366538775 /nfs/dbraw/zinc/53/87/75/1366538775.db2.gz IYYGTMFIDXVHMY-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106120464 1366612608 /nfs/dbraw/zinc/61/26/08/1366612608.db2.gz VZNWHEJRMZSFDQ-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106249289 1366633810 /nfs/dbraw/zinc/63/38/10/1366633810.db2.gz FVNWESOMOQZSNV-VJQBDMSCSA-N 2 1 349.563 3.290 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001106729103 1366782552 /nfs/dbraw/zinc/78/25/52/1366782552.db2.gz IDRGEYZUYFRRMP-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001106765792 1366792173 /nfs/dbraw/zinc/79/21/73/1366792173.db2.gz USAARAAXQRKSNC-IBMJZYDUSA-N 2 1 346.519 3.012 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CC)[C@H](C)C1 ZINC001106775560 1366794608 /nfs/dbraw/zinc/79/46/08/1366794608.db2.gz PCUYGEJRZPTUPZ-GUDVDZBRSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2ccccc2)[C@H](C)C1 ZINC001106905632 1366829079 /nfs/dbraw/zinc/82/90/79/1366829079.db2.gz ZQKZSGSWVAZAHE-WSTZPKSXSA-N 2 1 345.531 3.164 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001107035892 1366861993 /nfs/dbraw/zinc/86/19/93/1366861993.db2.gz DERZUOFGHUCWDB-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001107036876 1366862671 /nfs/dbraw/zinc/86/26/71/1366862671.db2.gz UMXUFDFDJILULA-QSMUSEHHSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107410444 1366955606 /nfs/dbraw/zinc/95/56/06/1366955606.db2.gz CLCLDAVMVDBXGU-JKOPJJFASA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107410444 1366955609 /nfs/dbraw/zinc/95/56/09/1366955609.db2.gz CLCLDAVMVDBXGU-JKOPJJFASA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107410444 1366955611 /nfs/dbraw/zinc/95/56/11/1366955611.db2.gz CLCLDAVMVDBXGU-JKOPJJFASA-N 2 1 347.547 3.044 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC2CCCC2)CC3)CCC1 ZINC001107436804 1366962725 /nfs/dbraw/zinc/96/27/25/1366962725.db2.gz QXOIKYPHJDGWJZ-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(C)(C)C1)CC2)[NH+](C)C ZINC001107450805 1366968440 /nfs/dbraw/zinc/96/84/40/1366968440.db2.gz NQBSMAFXAMEZAM-DBXWQHBBSA-N 2 1 349.563 3.124 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107524002 1367017781 /nfs/dbraw/zinc/01/77/81/1367017781.db2.gz BPPXODJQSOXMPM-WYTZPYIFSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546775 1367037569 /nfs/dbraw/zinc/03/75/69/1367037569.db2.gz PAIAYHONYHYJLK-SFHLNBCPSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546775 1367037574 /nfs/dbraw/zinc/03/75/74/1367037574.db2.gz PAIAYHONYHYJLK-SFHLNBCPSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546775 1367037579 /nfs/dbraw/zinc/03/75/79/1367037579.db2.gz PAIAYHONYHYJLK-SFHLNBCPSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546708 1367037827 /nfs/dbraw/zinc/03/78/27/1367037827.db2.gz MKSAIYVGBXYIDZ-YFVAEKQCSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546708 1367037832 /nfs/dbraw/zinc/03/78/32/1367037832.db2.gz MKSAIYVGBXYIDZ-YFVAEKQCSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546708 1367037837 /nfs/dbraw/zinc/03/78/37/1367037837.db2.gz MKSAIYVGBXYIDZ-YFVAEKQCSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC1CCC1)CC2 ZINC001107581923 1367055948 /nfs/dbraw/zinc/05/59/48/1367055948.db2.gz QMXWECOELCNQJC-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609572 1367069993 /nfs/dbraw/zinc/06/99/93/1367069993.db2.gz XQTATYIPBDCOCN-BYZPHCBNSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609572 1367069997 /nfs/dbraw/zinc/06/99/97/1367069997.db2.gz XQTATYIPBDCOCN-BYZPHCBNSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609572 1367070001 /nfs/dbraw/zinc/07/00/01/1367070001.db2.gz XQTATYIPBDCOCN-BYZPHCBNSA-N 2 1 347.547 3.045 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001109419539 1367112885 /nfs/dbraw/zinc/11/28/85/1367112885.db2.gz URRVKVRZWJSQMU-RDGPPVDQSA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109419539 1367112881 /nfs/dbraw/zinc/11/28/81/1367112881.db2.gz URRVKVRZWJSQMU-RDGPPVDQSA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001109419539 1367112888 /nfs/dbraw/zinc/11/28/88/1367112888.db2.gz URRVKVRZWJSQMU-RDGPPVDQSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)C[C@H](C)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001186067546 1387858109 /nfs/dbraw/zinc/85/81/09/1387858109.db2.gz LCJXUWFYMRQPMD-ZWKOTPCHSA-N 2 1 348.535 3.269 20 0 EGADMP CCc1nccn1[C@H](C)CC(=O)N1CC[C@H]([N@@H+](C)CCCC(C)C)C1 ZINC001190248187 1367208336 /nfs/dbraw/zinc/20/83/36/1367208336.db2.gz XXTNJRICRRNTAS-MSOLQXFVSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]([N@H+](C)CCCC(C)C)C1 ZINC001190248187 1367208341 /nfs/dbraw/zinc/20/83/41/1367208341.db2.gz XXTNJRICRRNTAS-MSOLQXFVSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]([N@@H+](C)CCCC(C)C)C1 ZINC001190248187 1367208348 /nfs/dbraw/zinc/20/83/48/1367208348.db2.gz XXTNJRICRRNTAS-MSOLQXFVSA-N 2 1 348.535 3.366 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655189 1367266379 /nfs/dbraw/zinc/26/63/79/1367266379.db2.gz KBBCCURYQJTDOF-WCIQWLHISA-N 2 1 343.515 3.201 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190652782 1367317667 /nfs/dbraw/zinc/31/76/67/1367317667.db2.gz AOHVZOOXDALACE-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190652782 1367317669 /nfs/dbraw/zinc/31/76/69/1367317669.db2.gz AOHVZOOXDALACE-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190652782 1367317672 /nfs/dbraw/zinc/31/76/72/1367317672.db2.gz AOHVZOOXDALACE-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656937 1367320351 /nfs/dbraw/zinc/32/03/51/1367320351.db2.gz YDCILWQWCGIPJT-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190656937 1367320353 /nfs/dbraw/zinc/32/03/53/1367320353.db2.gz YDCILWQWCGIPJT-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190656937 1367320356 /nfs/dbraw/zinc/32/03/56/1367320356.db2.gz YDCILWQWCGIPJT-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001109796816 1367327341 /nfs/dbraw/zinc/32/73/41/1367327341.db2.gz GOKZPCBWIXIVLW-YXYQLMTNSA-N 2 1 347.547 3.329 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001109796814 1367328057 /nfs/dbraw/zinc/32/80/57/1367328057.db2.gz GOKZPCBWIXIVLW-RLVROHLTSA-N 2 1 347.547 3.329 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860316 1367364444 /nfs/dbraw/zinc/36/44/44/1367364444.db2.gz XMKUYCPUPIKGNW-XWSJACJDSA-N 2 1 337.552 3.265 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC(C)(C)CC1 ZINC001109865830 1367370459 /nfs/dbraw/zinc/37/04/59/1367370459.db2.gz ZTBFTYQPOPIREB-QYZOEREBSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918539 1367403596 /nfs/dbraw/zinc/40/35/96/1367403596.db2.gz NIAQRZIADKZHHS-QYZOEREBSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109928119 1367408852 /nfs/dbraw/zinc/40/88/52/1367408852.db2.gz IAPHLWGRDPWJLH-FYQPLNBISA-N 2 1 343.515 3.201 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001109928119 1367408854 /nfs/dbraw/zinc/40/88/54/1367408854.db2.gz IAPHLWGRDPWJLH-FYQPLNBISA-N 2 1 343.515 3.201 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001109928119 1367408856 /nfs/dbraw/zinc/40/88/56/1367408856.db2.gz IAPHLWGRDPWJLH-FYQPLNBISA-N 2 1 343.515 3.201 20 0 EGADMP CC(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191544075 1367525103 /nfs/dbraw/zinc/52/51/03/1367525103.db2.gz YBPUIUHXLFUQGE-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001110149461 1367526456 /nfs/dbraw/zinc/52/64/56/1367526456.db2.gz JJABICUJPBHMAT-AABGKKOBSA-N 2 1 347.547 3.164 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001110158011 1367530681 /nfs/dbraw/zinc/53/06/81/1367530681.db2.gz DRUUIJZZQREUQS-YDZRNGNQSA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001110158011 1367530685 /nfs/dbraw/zinc/53/06/85/1367530685.db2.gz DRUUIJZZQREUQS-YDZRNGNQSA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001110158011 1367530691 /nfs/dbraw/zinc/53/06/91/1367530691.db2.gz DRUUIJZZQREUQS-YDZRNGNQSA-N 2 1 335.536 3.163 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001110158696 1367530715 /nfs/dbraw/zinc/53/07/15/1367530715.db2.gz UKQVQUPLQXIACA-ILENRSAMSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001110158696 1367530721 /nfs/dbraw/zinc/53/07/21/1367530721.db2.gz UKQVQUPLQXIACA-ILENRSAMSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001110158696 1367530725 /nfs/dbraw/zinc/53/07/25/1367530725.db2.gz UKQVQUPLQXIACA-ILENRSAMSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001108704885 1367544716 /nfs/dbraw/zinc/54/47/16/1367544716.db2.gz UCUAWZIVLDWILO-INVOHUSESA-N 2 1 347.547 3.186 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001108704883 1367544821 /nfs/dbraw/zinc/54/48/21/1367544821.db2.gz UCUAWZIVLDWILO-BRXVOJRQSA-N 2 1 347.547 3.186 20 0 EGADMP CCC(CC)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001108765031 1367581510 /nfs/dbraw/zinc/58/15/10/1367581510.db2.gz HOSLNCPVGJSCLZ-FHWLQOOXSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001192171847 1367707111 /nfs/dbraw/zinc/70/71/11/1367707111.db2.gz WZJNPLXLRCFXPE-YLJYHZDGSA-N 2 1 345.531 3.355 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001192317443 1367748392 /nfs/dbraw/zinc/74/83/92/1367748392.db2.gz TTWGYRGQMHWKHD-WOJBJXKFSA-N 2 1 345.531 3.148 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192398334 1367773911 /nfs/dbraw/zinc/77/39/11/1367773911.db2.gz ORDDEOORXRYXPI-BBVFFXRHSA-N 2 1 337.552 3.243 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192398334 1367773919 /nfs/dbraw/zinc/77/39/19/1367773919.db2.gz ORDDEOORXRYXPI-BBVFFXRHSA-N 2 1 337.552 3.243 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192398334 1367773923 /nfs/dbraw/zinc/77/39/23/1367773923.db2.gz ORDDEOORXRYXPI-BBVFFXRHSA-N 2 1 337.552 3.243 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917709 1367903644 /nfs/dbraw/zinc/90/36/44/1367903644.db2.gz RCRKTOIDBKHPEN-OALUTQOASA-N 2 1 339.568 3.322 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917439 1367904218 /nfs/dbraw/zinc/90/42/18/1367904218.db2.gz OMCKESZEWOYRRN-OALUTQOASA-N 2 1 339.568 3.466 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1)C1CCC1 ZINC001110673524 1367913436 /nfs/dbraw/zinc/91/34/36/1367913436.db2.gz FBYGUMBFYCHAOA-AQNXPRMDSA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1=CCCCC1)C1CCC1 ZINC001110673524 1367913443 /nfs/dbraw/zinc/91/34/43/1367913443.db2.gz FBYGUMBFYCHAOA-AQNXPRMDSA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1=CCCCC1)C1CCC1 ZINC001110673524 1367913445 /nfs/dbraw/zinc/91/34/45/1367913445.db2.gz FBYGUMBFYCHAOA-AQNXPRMDSA-N 2 1 345.531 3.083 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CC1)C1CCCCC1 ZINC001110857437 1368036973 /nfs/dbraw/zinc/03/69/73/1368036973.db2.gz AOAOMDSAAPACJM-AQNXPRMDSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1)C1CCCCC1 ZINC001110857437 1368036977 /nfs/dbraw/zinc/03/69/77/1368036977.db2.gz AOAOMDSAAPACJM-AQNXPRMDSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1)C1CCCCC1 ZINC001110857437 1368036982 /nfs/dbraw/zinc/03/69/82/1368036982.db2.gz AOAOMDSAAPACJM-AQNXPRMDSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193561491 1368062700 /nfs/dbraw/zinc/06/27/00/1368062700.db2.gz ZODXHFHCYHIHSL-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@H](C)c2ccccc2C)C1 ZINC001193600937 1368071398 /nfs/dbraw/zinc/07/13/98/1368071398.db2.gz OXTLEZNJFAVGFF-MOPGFXCFSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001193600937 1368071404 /nfs/dbraw/zinc/07/14/04/1368071404.db2.gz OXTLEZNJFAVGFF-MOPGFXCFSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001193600937 1368071406 /nfs/dbraw/zinc/07/14/06/1368071406.db2.gz OXTLEZNJFAVGFF-MOPGFXCFSA-N 2 1 345.531 3.321 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001111098644 1368158454 /nfs/dbraw/zinc/15/84/54/1368158454.db2.gz JDLFKNLBJRRMIZ-MVUOPPMJSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001111098644 1368158459 /nfs/dbraw/zinc/15/84/59/1368158459.db2.gz JDLFKNLBJRRMIZ-MVUOPPMJSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001111098644 1368158464 /nfs/dbraw/zinc/15/84/64/1368158464.db2.gz JDLFKNLBJRRMIZ-MVUOPPMJSA-N 2 1 347.547 3.327 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)C(C)C ZINC001111163993 1368173698 /nfs/dbraw/zinc/17/36/98/1368173698.db2.gz CYGJLNSFPSWVCM-YSTOQKLRSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194273991 1368221442 /nfs/dbraw/zinc/22/14/42/1368221442.db2.gz CQGFNLAMDYKFGE-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274498 1368221731 /nfs/dbraw/zinc/22/17/31/1368221731.db2.gz IROZYGUKDNRMGB-UXHICEINSA-N 2 1 345.531 3.258 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274498 1368221732 /nfs/dbraw/zinc/22/17/32/1368221732.db2.gz IROZYGUKDNRMGB-UXHICEINSA-N 2 1 345.531 3.258 20 0 EGADMP C[N@@H+](CCC1CCCC1)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429106 1368259517 /nfs/dbraw/zinc/25/95/17/1368259517.db2.gz FJAPDSCYFHHQLB-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001111307665 1368263142 /nfs/dbraw/zinc/26/31/42/1368263142.db2.gz PZAUJEJPWYXSAX-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001111307665 1368263144 /nfs/dbraw/zinc/26/31/44/1368263144.db2.gz PZAUJEJPWYXSAX-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001111307665 1368263148 /nfs/dbraw/zinc/26/31/48/1368263148.db2.gz PZAUJEJPWYXSAX-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CC1CC(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+]2CCCCC2)C3)C1 ZINC001111416321 1368303656 /nfs/dbraw/zinc/30/36/56/1368303656.db2.gz MGTFCRVPCNIBDZ-WKXIVMOISA-N 2 1 347.547 3.020 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494356 1368320698 /nfs/dbraw/zinc/32/06/98/1368320698.db2.gz LKIGTPKFSBYSMR-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001186405183 1387935079 /nfs/dbraw/zinc/93/50/79/1387935079.db2.gz QXARVGBKBGMBEQ-AZUAARDMSA-N 2 1 345.531 3.450 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001195111448 1368379506 /nfs/dbraw/zinc/37/95/06/1368379506.db2.gz CNXJOMGADZCKNN-ZCNNSNEGSA-N 2 1 329.532 3.171 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001195111448 1368379513 /nfs/dbraw/zinc/37/95/13/1368379513.db2.gz CNXJOMGADZCKNN-ZCNNSNEGSA-N 2 1 329.532 3.171 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001195111448 1368379518 /nfs/dbraw/zinc/37/95/18/1368379518.db2.gz CNXJOMGADZCKNN-ZCNNSNEGSA-N 2 1 329.532 3.171 20 0 EGADMP C[N@@H+](CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CC1)C2)C1CCCCC1 ZINC001111816959 1368479630 /nfs/dbraw/zinc/47/96/30/1368479630.db2.gz GODDXGHGXKTGQN-RXVVDRJESA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+](CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CC1)C2)C1CCCCC1 ZINC001111816959 1368479632 /nfs/dbraw/zinc/47/96/32/1368479632.db2.gz GODDXGHGXKTGQN-RXVVDRJESA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+](CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CC1)C2)C1CCCCC1 ZINC001111816959 1368479637 /nfs/dbraw/zinc/47/96/37/1368479637.db2.gz GODDXGHGXKTGQN-RXVVDRJESA-N 2 1 347.547 3.022 20 0 EGADMP CCCCC[N@@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001196018308 1368536680 /nfs/dbraw/zinc/53/66/80/1368536680.db2.gz NTQRPDFCZJCGOE-UHFFFAOYSA-N 2 1 337.533 3.148 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001196018308 1368536682 /nfs/dbraw/zinc/53/66/82/1368536682.db2.gz NTQRPDFCZJCGOE-UHFFFAOYSA-N 2 1 337.533 3.148 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111986859 1368591999 /nfs/dbraw/zinc/59/19/99/1368591999.db2.gz CXTZPRGCAZIPNF-ZJOUEHCJSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004459 1368608332 /nfs/dbraw/zinc/60/83/32/1368608332.db2.gz CYUWZLGGGHPOKP-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H](C(=O)N1CCC[N@@H+](CCCC2CCC2)CC1)[NH+](CC)CC ZINC001197142243 1368753851 /nfs/dbraw/zinc/75/38/51/1368753851.db2.gz VRXPRGHVAWGTIE-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197330660 1368789167 /nfs/dbraw/zinc/78/91/67/1368789167.db2.gz DVYRJUQXFMNIDY-IBGZPJMESA-N 2 1 337.552 3.364 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001197330660 1368789172 /nfs/dbraw/zinc/78/91/72/1368789172.db2.gz DVYRJUQXFMNIDY-IBGZPJMESA-N 2 1 337.552 3.364 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001197330660 1368789174 /nfs/dbraw/zinc/78/91/74/1368789174.db2.gz DVYRJUQXFMNIDY-IBGZPJMESA-N 2 1 337.552 3.364 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001197404316 1368807878 /nfs/dbraw/zinc/80/78/78/1368807878.db2.gz XQMVNSGDDHRIOF-RBUKOAKNSA-N 2 1 335.536 3.118 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001197404316 1368807887 /nfs/dbraw/zinc/80/78/87/1368807887.db2.gz XQMVNSGDDHRIOF-RBUKOAKNSA-N 2 1 335.536 3.118 20 0 EGADMP CCCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001197404316 1368807893 /nfs/dbraw/zinc/80/78/93/1368807893.db2.gz XQMVNSGDDHRIOF-RBUKOAKNSA-N 2 1 335.536 3.118 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[NH+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001197691365 1368873171 /nfs/dbraw/zinc/87/31/71/1368873171.db2.gz HBDAZUJIFXDVKW-RTBURBONSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[N@H+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001197691365 1368873177 /nfs/dbraw/zinc/87/31/77/1368873177.db2.gz HBDAZUJIFXDVKW-RTBURBONSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[N@@H+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001197691365 1368873179 /nfs/dbraw/zinc/87/31/79/1368873179.db2.gz HBDAZUJIFXDVKW-RTBURBONSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[NH+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001197922408 1368924637 /nfs/dbraw/zinc/92/46/37/1368924637.db2.gz RONVCKHCZQZCTF-MOPGFXCFSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[N@H+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001197922408 1368924639 /nfs/dbraw/zinc/92/46/39/1368924639.db2.gz RONVCKHCZQZCTF-MOPGFXCFSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198259881 1368991243 /nfs/dbraw/zinc/99/12/43/1368991243.db2.gz SMXGRKVTYGEODR-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)CCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001112855342 1369049418 /nfs/dbraw/zinc/04/94/18/1369049418.db2.gz SBFQPHPMJSZTEA-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001113353271 1369364154 /nfs/dbraw/zinc/36/41/54/1369364154.db2.gz WWPWULHKNGOJGH-GOSISDBHSA-N 2 1 345.531 3.178 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001113353271 1369364155 /nfs/dbraw/zinc/36/41/55/1369364155.db2.gz WWPWULHKNGOJGH-GOSISDBHSA-N 2 1 345.531 3.178 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(C)C ZINC001113441662 1369431489 /nfs/dbraw/zinc/43/14/89/1369431489.db2.gz MGPVXXYPAFREJJ-ICSRJNTNSA-N 2 1 345.531 3.258 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201043409 1369470746 /nfs/dbraw/zinc/47/07/46/1369470746.db2.gz CXFSWBMPFXWHIP-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201053431 1369472876 /nfs/dbraw/zinc/47/28/76/1369472876.db2.gz OYJURCVIXMYXLH-HZQHCPKGSA-N 2 1 347.547 3.330 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCCC(C)C)CC1 ZINC001113519885 1369474737 /nfs/dbraw/zinc/47/47/37/1369474737.db2.gz BVTLZVSFQVRKHT-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[NH+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001113571289 1369496623 /nfs/dbraw/zinc/49/66/23/1369496623.db2.gz GFFQSVILLFXHAV-RTBURBONSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[N@H+](C)CCC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001113571435 1369496743 /nfs/dbraw/zinc/49/67/43/1369496743.db2.gz MVRABDFTGNOKCD-UHFFFAOYSA-N 2 1 345.531 3.186 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001113571435 1369496747 /nfs/dbraw/zinc/49/67/47/1369496747.db2.gz MVRABDFTGNOKCD-UHFFFAOYSA-N 2 1 345.531 3.186 20 0 EGADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001201486734 1369555382 /nfs/dbraw/zinc/55/53/82/1369555382.db2.gz MDJZVIBPNCMPMB-YRPNKDGESA-N 2 1 345.535 3.055 20 0 EGADMP CC(C)=CCC[C@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001201486734 1369555383 /nfs/dbraw/zinc/55/53/83/1369555383.db2.gz MDJZVIBPNCMPMB-YRPNKDGESA-N 2 1 345.535 3.055 20 0 EGADMP CC(C)=CCC[C@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001201486734 1369555386 /nfs/dbraw/zinc/55/53/86/1369555386.db2.gz MDJZVIBPNCMPMB-YRPNKDGESA-N 2 1 345.535 3.055 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001202862989 1369910571 /nfs/dbraw/zinc/91/05/71/1369910571.db2.gz HYBJTKIXJWURTF-UVEXCMSLSA-N 2 1 347.547 3.330 20 0 EGADMP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203044704 1369965204 /nfs/dbraw/zinc/96/52/04/1369965204.db2.gz PBLUWDIJJPYNPT-ROUUACIJSA-N 2 1 335.536 3.068 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001114502364 1369977261 /nfs/dbraw/zinc/97/72/61/1369977261.db2.gz SRWOULZVEQMWSE-LAXBAZCNSA-N 2 1 347.547 3.042 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2C(NC(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1 ZINC001114502364 1369977264 /nfs/dbraw/zinc/97/72/64/1369977264.db2.gz SRWOULZVEQMWSE-LAXBAZCNSA-N 2 1 347.547 3.042 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2C(NC(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001114502364 1369977267 /nfs/dbraw/zinc/97/72/67/1369977267.db2.gz SRWOULZVEQMWSE-LAXBAZCNSA-N 2 1 347.547 3.042 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cccc5nonc54)C[C@H]3C2)cc1 ZINC001203140784 1369996425 /nfs/dbraw/zinc/99/64/25/1369996425.db2.gz SRTIWFORKAEUSP-HKUYNNGSSA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4cccc5nonc54)C[C@H]3C2)cc1 ZINC001203140784 1369996428 /nfs/dbraw/zinc/99/64/28/1369996428.db2.gz SRTIWFORKAEUSP-HKUYNNGSSA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cccc5nonc54)C[C@H]3C2)cc1 ZINC001203140784 1369996434 /nfs/dbraw/zinc/99/64/34/1369996434.db2.gz SRTIWFORKAEUSP-HKUYNNGSSA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cccc5nonc54)C[C@H]3C2)cc1 ZINC001203140784 1369996437 /nfs/dbraw/zinc/99/64/37/1369996437.db2.gz SRTIWFORKAEUSP-HKUYNNGSSA-N 2 1 348.450 3.177 20 0 EGADMP CCCCC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001203312980 1370078225 /nfs/dbraw/zinc/07/82/25/1370078225.db2.gz MBSZTALMZRYQKJ-FQEVSTJZSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001203442210 1370128003 /nfs/dbraw/zinc/12/80/03/1370128003.db2.gz GRLKHZDNJCTNOE-INIZCTEOSA-N 2 1 349.494 3.199 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@@H]([NH2+]CCC(C)C)C12CCC2 ZINC001203490629 1370143679 /nfs/dbraw/zinc/14/36/79/1370143679.db2.gz DDKCEGNZIUHIAX-MSOLQXFVSA-N 2 1 346.519 3.035 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203629937 1370192932 /nfs/dbraw/zinc/19/29/32/1370192932.db2.gz DVXBYMNWVIGYJG-RTBURBONSA-N 2 1 347.547 3.236 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)C12CCC2 ZINC001203650498 1370201660 /nfs/dbraw/zinc/20/16/60/1370201660.db2.gz HYYDLZDJZMBBNN-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)ccc1C)C2 ZINC001203747459 1370247024 /nfs/dbraw/zinc/24/70/24/1370247024.db2.gz GKIPNFJSSPGZJW-VXKWHMMOSA-N 2 1 342.527 3.484 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203794252 1370268177 /nfs/dbraw/zinc/26/81/77/1370268177.db2.gz WFWNCDGKGWBLDM-SJORKVTESA-N 2 1 337.552 3.170 20 0 EGADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(OC(C)=O)c(OC)c2)CC1 ZINC001203836126 1370284159 /nfs/dbraw/zinc/28/41/59/1370284159.db2.gz VWXRAXNRFVKEHY-UHFFFAOYSA-N 2 1 348.487 3.317 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC(C)=O)c(OC)c2)CC1 ZINC001203836126 1370284162 /nfs/dbraw/zinc/28/41/62/1370284162.db2.gz VWXRAXNRFVKEHY-UHFFFAOYSA-N 2 1 348.487 3.317 20 0 EGADMP CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001203928104 1370318053 /nfs/dbraw/zinc/31/80/53/1370318053.db2.gz XDCRVSBZRGXQNT-HXUWFJFHSA-N 2 1 329.488 3.485 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH2+]CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001203932272 1370319623 /nfs/dbraw/zinc/31/96/23/1370319623.db2.gz BBKUHDZEIJSBJN-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001204052990 1370360428 /nfs/dbraw/zinc/36/04/28/1370360428.db2.gz CTFJVDVQXLTUKK-LJQANCHMSA-N 2 1 338.451 3.369 20 0 EGADMP C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001204052990 1370360429 /nfs/dbraw/zinc/36/04/29/1370360429.db2.gz CTFJVDVQXLTUKK-LJQANCHMSA-N 2 1 338.451 3.369 20 0 EGADMP C[NH+](Cc1ccc2c(c1)OCO2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001204052990 1370360436 /nfs/dbraw/zinc/36/04/36/1370360436.db2.gz CTFJVDVQXLTUKK-LJQANCHMSA-N 2 1 338.451 3.369 20 0 EGADMP C[NH+](Cc1ccc2c(c1)OCO2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001204052990 1370360441 /nfs/dbraw/zinc/36/04/41/1370360441.db2.gz CTFJVDVQXLTUKK-LJQANCHMSA-N 2 1 338.451 3.369 20 0 EGADMP CCOc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc1OC ZINC001204361664 1370453213 /nfs/dbraw/zinc/45/32/13/1370453213.db2.gz JJHHKUWOUUOLDH-UHFFFAOYSA-N 2 1 341.455 3.120 20 0 EGADMP C[NH+](C)Cc1ccc(Nc2cccc(CC[NH+]3CCOCC3)c2)cc1 ZINC001204379305 1370460829 /nfs/dbraw/zinc/46/08/29/1370460829.db2.gz IWFFGBCXWZWHED-UHFFFAOYSA-N 2 1 339.483 3.367 20 0 EGADMP c1csc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001204548715 1370511590 /nfs/dbraw/zinc/51/15/90/1370511590.db2.gz AWNRPJXTIAGMDV-ZWKOTPCHSA-N 2 1 327.497 3.487 20 0 EGADMP c1csc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001204548715 1370511592 /nfs/dbraw/zinc/51/15/92/1370511592.db2.gz AWNRPJXTIAGMDV-ZWKOTPCHSA-N 2 1 327.497 3.487 20 0 EGADMP c1csc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001204548715 1370511594 /nfs/dbraw/zinc/51/15/94/1370511594.db2.gz AWNRPJXTIAGMDV-ZWKOTPCHSA-N 2 1 327.497 3.487 20 0 EGADMP c1csc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001204548715 1370511595 /nfs/dbraw/zinc/51/15/95/1370511595.db2.gz AWNRPJXTIAGMDV-ZWKOTPCHSA-N 2 1 327.497 3.487 20 0 EGADMP Cc1nn(C)cc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001204583807 1370523755 /nfs/dbraw/zinc/52/37/55/1370523755.db2.gz FJYQOULKGREIIF-PMACEKPBSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1nn(C)cc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001204583807 1370523758 /nfs/dbraw/zinc/52/37/58/1370523758.db2.gz FJYQOULKGREIIF-PMACEKPBSA-N 2 1 338.499 3.073 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCCCC1 ZINC001115535348 1370532290 /nfs/dbraw/zinc/53/22/90/1370532290.db2.gz SJFQLJQDODCXDL-DLBZAZTESA-N 2 1 341.515 3.016 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115537136 1370534182 /nfs/dbraw/zinc/53/41/82/1370534182.db2.gz XWMPEQSNQGMHCD-RTBURBONSA-N 2 1 347.547 3.236 20 0 EGADMP Brc1cccc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)n1 ZINC001204667589 1370540914 /nfs/dbraw/zinc/54/09/14/1370540914.db2.gz NGNUIKOLYDVICU-UHFFFAOYSA-N 2 1 346.272 3.306 20 0 EGADMP Brc1cccc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)n1 ZINC001204667589 1370540918 /nfs/dbraw/zinc/54/09/18/1370540918.db2.gz NGNUIKOLYDVICU-UHFFFAOYSA-N 2 1 346.272 3.306 20 0 EGADMP Brc1sccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742363 1370562165 /nfs/dbraw/zinc/56/21/65/1370562165.db2.gz LZDQXEOMIGICCZ-UHFFFAOYSA-N 2 1 329.307 3.476 20 0 EGADMP Cc1cc(C[N@@H+]2CCO[C@H](CC[NH3+])C2)ccc1Oc1ccc(F)cc1 ZINC001204755204 1370567947 /nfs/dbraw/zinc/56/79/47/1370567947.db2.gz DJSZJSOXOMWUSF-LJQANCHMSA-N 2 1 344.430 3.476 20 0 EGADMP Cc1cc(C[N@H+]2CCO[C@H](CC[NH3+])C2)ccc1Oc1ccc(F)cc1 ZINC001204755204 1370567954 /nfs/dbraw/zinc/56/79/54/1370567954.db2.gz DJSZJSOXOMWUSF-LJQANCHMSA-N 2 1 344.430 3.476 20 0 EGADMP CN(c1ccc(C[N@@H+]2CCO[C@H](CC[NH3+])C2)cc1)c1ccccc1F ZINC001204755334 1370568031 /nfs/dbraw/zinc/56/80/31/1370568031.db2.gz GOVOHQGWKDNWOY-GOSISDBHSA-N 2 1 343.446 3.143 20 0 EGADMP CN(c1ccc(C[N@H+]2CCO[C@H](CC[NH3+])C2)cc1)c1ccccc1F ZINC001204755334 1370568035 /nfs/dbraw/zinc/56/80/35/1370568035.db2.gz GOVOHQGWKDNWOY-GOSISDBHSA-N 2 1 343.446 3.143 20 0 EGADMP CCCCCC[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCCCC1 ZINC001115573200 1370575931 /nfs/dbraw/zinc/57/59/31/1370575931.db2.gz MOEHROVPVQAMDW-UHFFFAOYSA-N 2 1 337.552 3.460 20 0 EGADMP Clc1ccc2c(c1)C[N@@H+](Cc1ccccc1N1CC[NH2+]CC1)CC2 ZINC001204854979 1370591502 /nfs/dbraw/zinc/59/15/02/1370591502.db2.gz WWWAGCMBESCAKN-UHFFFAOYSA-N 2 1 341.886 3.308 20 0 EGADMP Clc1ccc2c(c1)C[N@H+](Cc1ccccc1N1CC[NH2+]CC1)CC2 ZINC001204854979 1370591508 /nfs/dbraw/zinc/59/15/08/1370591508.db2.gz WWWAGCMBESCAKN-UHFFFAOYSA-N 2 1 341.886 3.308 20 0 EGADMP CN(Cc1ccc2c(c1)CC[NH2+]C2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001204869792 1370593777 /nfs/dbraw/zinc/59/37/77/1370593777.db2.gz JLCMNLNDBFVNAR-JOCHJYFZSA-N 2 1 335.495 3.039 20 0 EGADMP C[N@H+](Cc1ccc2c(c1)CC[NH2+]C2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001204869792 1370593782 /nfs/dbraw/zinc/59/37/82/1370593782.db2.gz JLCMNLNDBFVNAR-JOCHJYFZSA-N 2 1 335.495 3.039 20 0 EGADMP C[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001204869792 1370593787 /nfs/dbraw/zinc/59/37/87/1370593787.db2.gz JLCMNLNDBFVNAR-JOCHJYFZSA-N 2 1 335.495 3.039 20 0 EGADMP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115598556 1370598710 /nfs/dbraw/zinc/59/87/10/1370598710.db2.gz SJWVAYZJLQWJFO-WRFKIARRSA-N 2 1 335.536 3.236 20 0 EGADMP Clc1cc(Cl)cc(C2=CC[N@@H+](CC[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC001205000499 1370625043 /nfs/dbraw/zinc/62/50/43/1370625043.db2.gz GFKUBZUCQDDTGX-QGZVFWFLSA-N 2 1 341.282 3.461 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc3ccc(Br)cc3[nH]2)C1 ZINC001205009614 1370627655 /nfs/dbraw/zinc/62/76/55/1370627655.db2.gz ZEOBODXAXQVCFI-GFCCVEGCSA-N 2 1 336.277 3.362 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc3ccc(Br)cc3[nH]2)C1 ZINC001205009614 1370627659 /nfs/dbraw/zinc/62/76/59/1370627659.db2.gz ZEOBODXAXQVCFI-GFCCVEGCSA-N 2 1 336.277 3.362 20 0 EGADMP Cc1cccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1C ZINC001205074537 1370643047 /nfs/dbraw/zinc/64/30/47/1370643047.db2.gz JDWYGDRIZFSWOL-UHFFFAOYSA-N 2 1 338.499 3.154 20 0 EGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3ncc(Br)cc3c2)CC1 ZINC001205124362 1370657608 /nfs/dbraw/zinc/65/76/08/1370657608.db2.gz OZQJLRHJXQFGTM-HNNXBMFYSA-N 2 1 334.261 3.311 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(OCc2ccccc2)c1 ZINC001205140209 1370661198 /nfs/dbraw/zinc/66/11/98/1370661198.db2.gz DFYSJJSPBLEUCP-QFBILLFUSA-N 2 1 340.467 3.301 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001205219469 1370685453 /nfs/dbraw/zinc/68/54/53/1370685453.db2.gz DPNHEVINBKMRMI-AWEZNQCLSA-N 2 1 336.785 3.035 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205242965 1370692947 /nfs/dbraw/zinc/69/29/47/1370692947.db2.gz XIXIIFSIIMHUBC-LJQANCHMSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)ccc1Oc1ccccc1 ZINC001205249005 1370695518 /nfs/dbraw/zinc/69/55/18/1370695518.db2.gz VGGXWUSDIBZTBO-OAQYLSRUSA-N 2 1 340.467 3.463 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3cccc4[nH]ccc43)C2)C1 ZINC001205263977 1370699524 /nfs/dbraw/zinc/69/95/24/1370699524.db2.gz XCNLISBCTYPBRJ-NRFANRHFSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3cccc4[nH]ccc43)C2)C1 ZINC001205263977 1370699526 /nfs/dbraw/zinc/69/95/26/1370699526.db2.gz XCNLISBCTYPBRJ-NRFANRHFSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3cccc4[nH]ccc43)C2)C1 ZINC001205263977 1370699529 /nfs/dbraw/zinc/69/95/29/1370699529.db2.gz XCNLISBCTYPBRJ-NRFANRHFSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)C1 ZINC001205263977 1370699532 /nfs/dbraw/zinc/69/95/32/1370699532.db2.gz XCNLISBCTYPBRJ-NRFANRHFSA-N 2 1 341.499 3.491 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1([NH2+]CCCCCF)CCCCC1 ZINC001115729672 1370711513 /nfs/dbraw/zinc/71/15/13/1370711513.db2.gz OWBVAGXXLBGZFP-QGZVFWFLSA-N 2 1 341.515 3.019 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115730947 1370713911 /nfs/dbraw/zinc/71/39/11/1370713911.db2.gz VNLNZTZKLAIMSX-MJGOQNOKSA-N 2 1 349.563 3.173 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205305961 1370715431 /nfs/dbraw/zinc/71/54/31/1370715431.db2.gz UYBPFXKUIROXSM-WCQYABFASA-N 2 1 332.366 3.011 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205305961 1370715436 /nfs/dbraw/zinc/71/54/36/1370715436.db2.gz UYBPFXKUIROXSM-WCQYABFASA-N 2 1 332.366 3.011 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C[C@@H]1C[NH3+] ZINC001205306341 1370715489 /nfs/dbraw/zinc/71/54/89/1370715489.db2.gz VOORKRCBQGLNLM-AAEUAGOBSA-N 2 1 334.357 3.340 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCCCC1 ZINC001115768907 1370753130 /nfs/dbraw/zinc/75/31/30/1370753130.db2.gz MMWDXPUKKKWASC-QZTJIDSGSA-N 2 1 335.536 3.068 20 0 EGADMP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001115769145 1370753615 /nfs/dbraw/zinc/75/36/15/1370753615.db2.gz XRWKTIUSJIVIJW-RTBURBONSA-N 2 1 347.547 3.212 20 0 EGADMP CC[C@@H](C)C[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2C)CCCCC1 ZINC001115773225 1370756687 /nfs/dbraw/zinc/75/66/87/1370756687.db2.gz SJVXIQNQDXTALO-QGZVFWFLSA-N 2 1 348.535 3.427 20 0 EGADMP CCC/C=C/CC[NH2+]CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001205469497 1370764739 /nfs/dbraw/zinc/76/47/39/1370764739.db2.gz IHOGLVNOZCGWPY-AATRIKPKSA-N 2 1 335.536 3.045 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Br ZINC001205558283 1370791229 /nfs/dbraw/zinc/79/12/29/1370791229.db2.gz DGUNNJDYEFKFHO-OAHLLOKOSA-N 2 1 345.256 3.111 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001205518943 1370778472 /nfs/dbraw/zinc/77/84/72/1370778472.db2.gz PUPDKMHODLNLJL-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001187323101 1388093496 /nfs/dbraw/zinc/09/34/96/1388093496.db2.gz YKEMRHGBDRVZDF-FXAWDEMLSA-N 2 1 345.531 3.403 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]Cc2ccccc2C)CC1 ZINC001205548425 1370787526 /nfs/dbraw/zinc/78/75/26/1370787526.db2.gz ABBANTANIOPMFQ-UHFFFAOYSA-N 2 1 345.531 3.054 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001205548520 1370787904 /nfs/dbraw/zinc/78/79/04/1370787904.db2.gz DMYBFWKKLYZBKR-UHFFFAOYSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115806441 1370790085 /nfs/dbraw/zinc/79/00/85/1370790085.db2.gz WWRUIMFIIGOPGY-UHFFFAOYSA-N 2 1 337.552 3.317 20 0 EGADMP COc1ccc(Br)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205603014 1370807525 /nfs/dbraw/zinc/80/75/25/1370807525.db2.gz MRQQLCCHWJWPBZ-CHWSQXEVSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2Br)CC[C@@H]1C[NH3+] ZINC001205618295 1370812329 /nfs/dbraw/zinc/81/23/29/1370812329.db2.gz UGSPGSUHQUNPCW-NWDGAFQWSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cc(Cl)ncc2Br)CC[C@H]1C[NH3+] ZINC001205627198 1370816396 /nfs/dbraw/zinc/81/63/96/1370816396.db2.gz NTHZDXDWEMDQKS-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)ncc2Br)CC[C@H]1C[NH3+] ZINC001205627198 1370816401 /nfs/dbraw/zinc/81/64/01/1370816401.db2.gz NTHZDXDWEMDQKS-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1OCC1CC1 ZINC001205626946 1370816730 /nfs/dbraw/zinc/81/67/30/1370816730.db2.gz KVQYTPRMCUXZKZ-MAUKXSAKSA-N 2 1 332.488 3.291 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2Br)CC[C@H]1C[NH3+] ZINC001205636643 1370820535 /nfs/dbraw/zinc/82/05/35/1370820535.db2.gz FBJDYZQYDABRIP-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2Br)CC[C@H]1C[NH3+] ZINC001205636643 1370820530 /nfs/dbraw/zinc/82/05/30/1370820530.db2.gz FBJDYZQYDABRIP-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cncc(OCc3ccccc3)c2)CC[C@@H]1C[NH3+] ZINC001205652210 1370828910 /nfs/dbraw/zinc/82/89/10/1370828910.db2.gz OMVQLXGSARIXOU-FXAWDEMLSA-N 2 1 339.483 3.467 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cccnc2OCc2ccccc2)CC[C@@H]1C[NH3+] ZINC001205654458 1370830071 /nfs/dbraw/zinc/83/00/71/1370830071.db2.gz WXKFSVBDIXUZSK-IEBWSBKVSA-N 2 1 339.483 3.467 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccnc(Br)c2Cl)CC[C@H]1C[NH3+] ZINC001205654579 1370830218 /nfs/dbraw/zinc/83/02/18/1370830218.db2.gz XORJRWHTBQKVBU-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccnc(Br)c2Cl)CC[C@H]1C[NH3+] ZINC001205654579 1370830226 /nfs/dbraw/zinc/83/02/26/1370830226.db2.gz XORJRWHTBQKVBU-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(O)cc3)n2)CC[C@H]1C[NH3+] ZINC001205653724 1370830378 /nfs/dbraw/zinc/83/03/78/1370830378.db2.gz UUALZABEMNQWFN-HIFRSBDPSA-N 2 1 331.485 3.323 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001205681441 1370841756 /nfs/dbraw/zinc/84/17/56/1370841756.db2.gz JHKDTFTXLONMSL-GOSISDBHSA-N 2 1 334.847 3.276 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccc(F)cc1 ZINC001116289279 1370879721 /nfs/dbraw/zinc/87/97/21/1370879721.db2.gz PDXZGJZSGPTRDK-QGZVFWFLSA-N 2 1 341.474 3.424 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccsc1 ZINC001116294916 1370880441 /nfs/dbraw/zinc/88/04/41/1370880441.db2.gz XHSWNLNQXMZXLY-INIZCTEOSA-N 2 1 329.513 3.346 20 0 EGADMP C[N@H+]1CCCC[C@H]1c1ccc(-c2cccc(N3CC[NH2+]CC3)c2)nc1 ZINC001205900055 1370904065 /nfs/dbraw/zinc/90/40/65/1370904065.db2.gz IZPDBHJOADHLEL-NRFANRHFSA-N 2 1 336.483 3.315 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OCc2ccccc2)nc1 ZINC001205917219 1370910224 /nfs/dbraw/zinc/91/02/24/1370910224.db2.gz XOFFIFKIEUGCEF-QFBILLFUSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(OCc2ccccc2)nc1 ZINC001205917219 1370910228 /nfs/dbraw/zinc/91/02/28/1370910228.db2.gz XOFFIFKIEUGCEF-QFBILLFUSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1c[nH]c2c1cccc2Br ZINC001205917454 1370910560 /nfs/dbraw/zinc/91/05/60/1370910560.db2.gz YSMDMBGSWUKZGC-RYUDHWBXSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2c1cccc2Br ZINC001205917454 1370910562 /nfs/dbraw/zinc/91/05/62/1370910562.db2.gz YSMDMBGSWUKZGC-RYUDHWBXSA-N 2 1 336.277 3.490 20 0 EGADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001116505718 1370925756 /nfs/dbraw/zinc/92/57/56/1370925756.db2.gz PVPIQWGBZDKFEJ-BACDZXNISA-N 2 1 339.524 3.285 20 0 EGADMP C[C@H]1C[N@@H+](CCc2cccc(Br)c2)CCC[C@H]1C[NH3+] ZINC001205985363 1370929821 /nfs/dbraw/zinc/92/98/21/1370929821.db2.gz XWCKFFJLYMZYRP-ZFWWWQNUSA-N 2 1 325.294 3.298 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Cl)c1OC ZINC001206002807 1370934404 /nfs/dbraw/zinc/93/44/04/1370934404.db2.gz BISHFQINPULXBN-QWHCGFSZSA-N 2 1 326.868 3.164 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206004688 1370935128 /nfs/dbraw/zinc/93/51/28/1370935128.db2.gz ULMKGEXPZQDMGS-STQMWFEESA-N 2 1 346.393 3.401 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1OCC1CC1 ZINC001206003555 1370935212 /nfs/dbraw/zinc/93/52/12/1370935212.db2.gz JRKIFXFNGPZFJG-MAUKXSAKSA-N 2 1 332.488 3.291 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc(OCc3ccccc3)ccn2)CCC[C@@H]1C[NH3+] ZINC001206013724 1370937604 /nfs/dbraw/zinc/93/76/04/1370937604.db2.gz TZXJNMGSQMYJKL-IEBWSBKVSA-N 2 1 339.483 3.467 20 0 EGADMP COc1cc(Cl)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(OC)c1 ZINC001206012617 1370938205 /nfs/dbraw/zinc/93/82/05/1370938205.db2.gz MZXHAMZOCOLECG-CHWSQXEVSA-N 2 1 326.868 3.164 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccnc(Cl)c2Br)CCC[C@H]1C[NH3+] ZINC001206026848 1370942340 /nfs/dbraw/zinc/94/23/40/1370942340.db2.gz UJASRDSXGXPOCU-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP CN(CCC[N@H+]1CCC[C@@H](Cc2nccn2C)C1)c1ccccc1 ZINC001326041245 1388104527 /nfs/dbraw/zinc/10/45/27/1388104527.db2.gz QGBNMDXUAOHCID-SFHVURJKSA-N 2 1 326.488 3.201 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](CCn2cncn2)c2ccc(C)cc2)C1 ZINC001116721909 1370962084 /nfs/dbraw/zinc/96/20/84/1370962084.db2.gz XMGHWEZGPXWJTF-UYAOXDASSA-N 2 1 341.503 3.039 20 0 EGADMP CCCCOc1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c(F)c1 ZINC001206111932 1370962731 /nfs/dbraw/zinc/96/27/31/1370962731.db2.gz BNNMLDILPKYHTD-UHFFFAOYSA-N 2 1 329.419 3.476 20 0 EGADMP CN(CCC[N@@H+](C)[C@@H]1CC[C@](C)(c2ccccc2)C1)CC[NH+](C)C ZINC001206135227 1370968856 /nfs/dbraw/zinc/96/88/56/1370968856.db2.gz FXBISVVZKDDFBN-RTWAWAEBSA-N 2 1 331.548 3.312 20 0 EGADMP COC(=O)CCC[N@H+](Cc1ccccc1)CC1CC2(C1)CC[NH2+]CC2 ZINC001206251327 1371003782 /nfs/dbraw/zinc/00/37/82/1371003782.db2.gz ODFIMOHEQWXJEQ-UHFFFAOYSA-N 2 1 344.499 3.222 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001206300898 1371015149 /nfs/dbraw/zinc/01/51/49/1371015149.db2.gz GBDGNDMPYHELOM-FPLPWBNLSA-N 2 1 337.552 3.149 20 0 EGADMP CC(C)(C)C(=O)Nc1cnccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304763 1371016645 /nfs/dbraw/zinc/01/66/45/1371016645.db2.gz PLGWZSVGYFRNAI-IBGZPJMESA-N 2 1 332.492 3.017 20 0 EGADMP Cc1nc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c(Br)s1 ZINC001206317018 1371019024 /nfs/dbraw/zinc/01/90/24/1371019024.db2.gz AYROTLINBZJGSA-CYBMUJFWSA-N 2 1 332.311 3.165 20 0 EGADMP Cc1nc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(Br)s1 ZINC001206317018 1371019028 /nfs/dbraw/zinc/01/90/28/1371019028.db2.gz AYROTLINBZJGSA-CYBMUJFWSA-N 2 1 332.311 3.165 20 0 EGADMP Cn1c2ccccc2c(Cl)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1=O ZINC001206317243 1371019844 /nfs/dbraw/zinc/01/98/44/1371019844.db2.gz DMFRYVPINOHOIS-IBGZPJMESA-N 2 1 347.890 3.143 20 0 EGADMP Cc1nc(Br)ccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206319162 1371020071 /nfs/dbraw/zinc/02/00/71/1371020071.db2.gz YUPGBNBELGCNPV-HNNXBMFYSA-N 2 1 326.282 3.103 20 0 EGADMP CCSc1ncc2cccc(C[N@@H+]3CCCC[C@@](C)(C[NH3+])C3)n21 ZINC001206582211 1371099564 /nfs/dbraw/zinc/09/95/64/1371099564.db2.gz MXXDDYPVVZWHEX-SFHVURJKSA-N 2 1 332.517 3.397 20 0 EGADMP CCSc1ncc2cccc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)n21 ZINC001206582211 1371099566 /nfs/dbraw/zinc/09/95/66/1371099566.db2.gz MXXDDYPVVZWHEX-SFHVURJKSA-N 2 1 332.517 3.397 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC(C[NH2+]CCCC(C)C)CC1 ZINC001206603825 1371107035 /nfs/dbraw/zinc/10/70/35/1371107035.db2.gz WSLMGDULJSPGDX-UHFFFAOYSA-N 2 1 348.535 3.236 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206641562 1371116277 /nfs/dbraw/zinc/11/62/77/1371116277.db2.gz YQPMXBLGCXJAQJ-HNNXBMFYSA-N 2 1 343.471 3.214 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206769276 1371158506 /nfs/dbraw/zinc/15/85/06/1371158506.db2.gz OANJKXJDKSJZNP-NEPJUHHUSA-N 2 1 332.366 3.153 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206769276 1371158509 /nfs/dbraw/zinc/15/85/09/1371158509.db2.gz OANJKXJDKSJZNP-NEPJUHHUSA-N 2 1 332.366 3.153 20 0 EGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(Br)ccc1N(C)C ZINC001206809600 1371175531 /nfs/dbraw/zinc/17/55/31/1371175531.db2.gz LZIQDWNENFSDMG-CHWSQXEVSA-N 2 1 340.309 3.074 20 0 EGADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(Br)ccc1N(C)C ZINC001206809600 1371175545 /nfs/dbraw/zinc/17/55/45/1371175545.db2.gz LZIQDWNENFSDMG-CHWSQXEVSA-N 2 1 340.309 3.074 20 0 EGADMP OCCC[N@@H+](C[C@H]1CCC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC001118494565 1371189441 /nfs/dbraw/zinc/18/94/41/1371189441.db2.gz ILLXIBVIXMOJCC-IBGZPJMESA-N 2 1 338.495 3.460 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC001118557057 1371198385 /nfs/dbraw/zinc/19/83/85/1371198385.db2.gz NADLVGLXHHSWJN-KRWDZBQOSA-N 2 1 345.462 3.097 20 0 EGADMP c1ccc(C[NH+]2CCC3(CCC[N@H+](Cc4ncccn4)C3)CC2)cc1 ZINC001207017465 1371268465 /nfs/dbraw/zinc/26/84/65/1371268465.db2.gz QNZNXIACQRYEJB-UHFFFAOYSA-N 2 1 336.483 3.355 20 0 EGADMP c1ccc(C[NH+]2CCC3(CCC[N@@H+](Cc4ncccn4)C3)CC2)cc1 ZINC001207017465 1371268470 /nfs/dbraw/zinc/26/84/70/1371268470.db2.gz QNZNXIACQRYEJB-UHFFFAOYSA-N 2 1 336.483 3.355 20 0 EGADMP Cc1nccc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)n1 ZINC001207164121 1371316548 /nfs/dbraw/zinc/31/65/48/1371316548.db2.gz PGZQLYLPNFFSKL-IBGZPJMESA-N 2 1 340.471 3.255 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC001207280023 1371348499 /nfs/dbraw/zinc/34/84/99/1371348499.db2.gz RRAJYBPMZOZNRY-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP CC[N@@H+](CCCC(=O)OC)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207287329 1371351743 /nfs/dbraw/zinc/35/17/43/1371351743.db2.gz SRRMJDRZWWCCFK-UHFFFAOYSA-N 2 1 332.488 3.174 20 0 EGADMP COC(=O)[C@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC001207292339 1371352975 /nfs/dbraw/zinc/35/29/75/1371352975.db2.gz OIPIWXIWFHXKEW-XLIONFOSSA-N 2 1 344.499 3.172 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001207399682 1371384732 /nfs/dbraw/zinc/38/47/32/1371384732.db2.gz QXCYVDYFYZZIMX-DLBZAZTESA-N 2 1 339.524 3.096 20 0 EGADMP COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC001207399864 1371384795 /nfs/dbraw/zinc/38/47/95/1371384795.db2.gz XOPHCWNVBQZUOP-PMACEKPBSA-N 2 1 344.499 3.140 20 0 EGADMP C[N@@H+](CC1CC[NH2+]CC1)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001207438703 1371396843 /nfs/dbraw/zinc/39/68/43/1371396843.db2.gz DXQNULMXPIUSTJ-UHFFFAOYSA-N 2 1 349.522 3.392 20 0 EGADMP COc1ccc(CC[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001207474420 1371406586 /nfs/dbraw/zinc/40/65/86/1371406586.db2.gz NHETYCMJHNFMMQ-OAQYLSRUSA-N 2 1 346.515 3.061 20 0 EGADMP COc1ccc(CC[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001207474420 1371406587 /nfs/dbraw/zinc/40/65/87/1371406587.db2.gz NHETYCMJHNFMMQ-OAQYLSRUSA-N 2 1 346.515 3.061 20 0 EGADMP COc1ccc(CC[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)cc1 ZINC001207474420 1371406591 /nfs/dbraw/zinc/40/65/91/1371406591.db2.gz NHETYCMJHNFMMQ-OAQYLSRUSA-N 2 1 346.515 3.061 20 0 EGADMP COc1ccc(CC[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)cc1 ZINC001207474420 1371406592 /nfs/dbraw/zinc/40/65/92/1371406592.db2.gz NHETYCMJHNFMMQ-OAQYLSRUSA-N 2 1 346.515 3.061 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540909 1371430772 /nfs/dbraw/zinc/43/07/72/1371430772.db2.gz KXABMXYXPZVSEL-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001207540909 1371430775 /nfs/dbraw/zinc/43/07/75/1371430775.db2.gz KXABMXYXPZVSEL-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001207540909 1371430779 /nfs/dbraw/zinc/43/07/79/1371430779.db2.gz KXABMXYXPZVSEL-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC3CC(C)(C)C3)CCCCC2)C1 ZINC001120010097 1371453583 /nfs/dbraw/zinc/45/35/83/1371453583.db2.gz LXRNUGQGVMLHPR-QGZVFWFLSA-N 2 1 349.563 3.173 20 0 EGADMP CCCCCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120010361 1371454225 /nfs/dbraw/zinc/45/42/25/1371454225.db2.gz OQAIWDAYSHZBHC-GOSISDBHSA-N 2 1 337.552 3.317 20 0 EGADMP C[C@@H](CCCC(C)(C)O)CC[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001207649163 1371463830 /nfs/dbraw/zinc/46/38/30/1371463830.db2.gz PZUKLASVUHZCDK-INIZCTEOSA-N 2 1 339.524 3.084 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1([NH2+]C[C@@H](C)CC)CCCCC1 ZINC001120041285 1371466450 /nfs/dbraw/zinc/46/64/50/1371466450.db2.gz MBXOSSKDVYUKQQ-KRWDZBQOSA-N 2 1 325.541 3.173 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001120190140 1371503135 /nfs/dbraw/zinc/50/31/35/1371503135.db2.gz SQWMISNILKABFK-CALCHBBNSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001120207988 1371505088 /nfs/dbraw/zinc/50/50/88/1371505088.db2.gz POKZTEDVRXGBCE-UHFFFAOYSA-N 2 1 337.552 3.172 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001207987968 1371560741 /nfs/dbraw/zinc/56/07/41/1371560741.db2.gz CJNGARULKJXYPP-FOSBAXRVSA-N 2 1 340.471 3.131 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CC=C(C)C)C1 ZINC001120401444 1371561968 /nfs/dbraw/zinc/56/19/68/1371561968.db2.gz JEGCBFGMBKIZPQ-OALUTQOASA-N 2 1 349.563 3.386 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC=C(C)C)C1 ZINC001120401444 1371561970 /nfs/dbraw/zinc/56/19/70/1371561970.db2.gz JEGCBFGMBKIZPQ-OALUTQOASA-N 2 1 349.563 3.386 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC=C(C)C)C1 ZINC001120401444 1371561973 /nfs/dbraw/zinc/56/19/73/1371561973.db2.gz JEGCBFGMBKIZPQ-OALUTQOASA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120421658 1371568607 /nfs/dbraw/zinc/56/86/07/1371568607.db2.gz BCYMNCBBKOZILL-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014992 1371569575 /nfs/dbraw/zinc/56/95/75/1371569575.db2.gz VRBMJXRQLTWSTH-KAGICYHLSA-N 2 1 335.536 3.186 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439604 1371577531 /nfs/dbraw/zinc/57/75/31/1371577531.db2.gz HJIKTNARLJROIN-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120450187 1371581823 /nfs/dbraw/zinc/58/18/23/1371581823.db2.gz SZPDPKJOLBWOOF-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001120450187 1371581830 /nfs/dbraw/zinc/58/18/30/1371581830.db2.gz SZPDPKJOLBWOOF-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001120450187 1371581840 /nfs/dbraw/zinc/58/18/40/1371581840.db2.gz SZPDPKJOLBWOOF-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001208073206 1371588519 /nfs/dbraw/zinc/58/85/19/1371588519.db2.gz FEOWXRTWPWVGSE-YBXURTSQSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208105836 1371596454 /nfs/dbraw/zinc/59/64/54/1371596454.db2.gz CODBKHAEIOBHFQ-IYBDPMFKSA-N 2 1 339.524 3.048 20 0 EGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1(C)CC[NH+](C)CC1 ZINC001208109026 1371596490 /nfs/dbraw/zinc/59/64/90/1371596490.db2.gz JUUVIIUHTCXTIG-FQEVSTJZSA-N 3 1 329.532 3.172 20 0 EGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1(C)CC[NH+](C)CC1 ZINC001208109026 1371596493 /nfs/dbraw/zinc/59/64/93/1371596493.db2.gz JUUVIIUHTCXTIG-FQEVSTJZSA-N 3 1 329.532 3.172 20 0 EGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(C)CC[NH+](C)CC1 ZINC001208109026 1371596497 /nfs/dbraw/zinc/59/64/97/1371596497.db2.gz JUUVIIUHTCXTIG-FQEVSTJZSA-N 2 1 329.532 3.172 20 0 EGADMP C[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)CC1(C)CC[NH+](C)CC1 ZINC001208109026 1371596500 /nfs/dbraw/zinc/59/65/00/1371596500.db2.gz JUUVIIUHTCXTIG-FQEVSTJZSA-N 2 1 329.532 3.172 20 0 EGADMP C[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)CC1(C)CC[NH+](C)CC1 ZINC001208109026 1371596503 /nfs/dbraw/zinc/59/65/03/1371596503.db2.gz JUUVIIUHTCXTIG-FQEVSTJZSA-N 2 1 329.532 3.172 20 0 EGADMP CC/C=C\CCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001208134371 1371605107 /nfs/dbraw/zinc/60/51/07/1371605107.db2.gz ZQYLMMWOSMFPRD-JLZAYFGNSA-N 2 1 343.515 3.351 20 0 EGADMP COc1ccccc1O[C@H]1CC[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208186635 1371625124 /nfs/dbraw/zinc/62/51/24/1371625124.db2.gz XDOVPAZNGWMFES-KRWDZBQOSA-N 2 1 332.488 3.270 20 0 EGADMP Cc1ccnc(O[C@@H]2CCC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)c1 ZINC001208189609 1371630032 /nfs/dbraw/zinc/63/00/32/1371630032.db2.gz VYZLCCOGVBKZNB-GOSISDBHSA-N 2 1 331.504 3.355 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326310676 1388149550 /nfs/dbraw/zinc/14/95/50/1388149550.db2.gz IJKXDQXVUGJMOZ-UHFFFAOYSA-N 2 1 335.879 3.053 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208279303 1371695261 /nfs/dbraw/zinc/69/52/61/1371695261.db2.gz MXXCGMMAZIWATB-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001208454317 1371772495 /nfs/dbraw/zinc/77/24/95/1371772495.db2.gz UTYWRXWABOXLBT-GOSISDBHSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001208492131 1371786769 /nfs/dbraw/zinc/78/67/69/1371786769.db2.gz FIHZEWZGBQPRAA-MBOZVWFJSA-N 2 1 345.531 3.259 20 0 EGADMP CCN(CC[N@@H+](C)CC1CC[NH+](C(C)C)CC1)C(=O)OC(C)(C)C ZINC001208574713 1371823240 /nfs/dbraw/zinc/82/32/40/1371823240.db2.gz JLLDROMNWQMCJY-UHFFFAOYSA-N 2 1 341.540 3.296 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C)[NH+](CC)CC ZINC001208575556 1371824166 /nfs/dbraw/zinc/82/41/66/1371824166.db2.gz QJHXBSMNRCEVNZ-BHIYHBOVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208602345 1371835669 /nfs/dbraw/zinc/83/56/69/1371835669.db2.gz CJUWNWYEHCQHDV-YADHBBJMSA-N 3 1 341.543 3.172 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208602345 1371835673 /nfs/dbraw/zinc/83/56/73/1371835673.db2.gz CJUWNWYEHCQHDV-YADHBBJMSA-N 3 1 341.543 3.172 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208602345 1371835677 /nfs/dbraw/zinc/83/56/77/1371835677.db2.gz CJUWNWYEHCQHDV-YADHBBJMSA-N 2 1 341.543 3.172 20 0 EGADMP CC[NH+]1CCC(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208602345 1371835680 /nfs/dbraw/zinc/83/56/80/1371835680.db2.gz CJUWNWYEHCQHDV-YADHBBJMSA-N 2 1 341.543 3.172 20 0 EGADMP CC[NH+]1CCC(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208602345 1371835683 /nfs/dbraw/zinc/83/56/83/1371835683.db2.gz CJUWNWYEHCQHDV-YADHBBJMSA-N 2 1 341.543 3.172 20 0 EGADMP CCOC(=O)C[N@H+](CC1CC[NH+](CC)CC1)[C@H](C)c1ccccc1 ZINC001208603255 1371837124 /nfs/dbraw/zinc/83/71/24/1371837124.db2.gz XWCMFVUPUNRVKJ-QGZVFWFLSA-N 2 1 332.488 3.345 20 0 EGADMP CCOC(=O)C[N@@H+](CC1CC[NH+](CC)CC1)[C@H](C)c1ccccc1 ZINC001208603255 1371837127 /nfs/dbraw/zinc/83/71/27/1371837127.db2.gz XWCMFVUPUNRVKJ-QGZVFWFLSA-N 2 1 332.488 3.345 20 0 EGADMP COC(=O)[C@H]1CC[C@H](C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001208631208 1371847669 /nfs/dbraw/zinc/84/76/69/1371847669.db2.gz RAAJNQAXWPURRP-FHWLQOOXSA-N 2 1 336.520 3.306 20 0 EGADMP COCC[N@H+]1CCO[C@@H]2C[NH+](CC[C@@H](C)CC(C)(C)C)CC[C@@H]2C1 ZINC001208658792 1371853021 /nfs/dbraw/zinc/85/30/21/1371853021.db2.gz BWEYXYUWWDIFPZ-GUDVDZBRSA-N 2 1 340.552 3.118 20 0 EGADMP COCC[NH+]1CCO[C@@H]2C[N@H+](CC[C@@H](C)CC(C)(C)C)CC[C@@H]2C1 ZINC001208658792 1371853025 /nfs/dbraw/zinc/85/30/25/1371853025.db2.gz BWEYXYUWWDIFPZ-GUDVDZBRSA-N 2 1 340.552 3.118 20 0 EGADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](CC[C@@H](C)CC(C)(C)C)CC[C@@H]2C1 ZINC001208658792 1371853030 /nfs/dbraw/zinc/85/30/30/1371853030.db2.gz BWEYXYUWWDIFPZ-GUDVDZBRSA-N 2 1 340.552 3.118 20 0 EGADMP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001121134159 1371862906 /nfs/dbraw/zinc/86/29/06/1371862906.db2.gz VQAAARWIIAPCBK-YOVFXKFVSA-N 2 1 347.547 3.090 20 0 EGADMP COc1ccc(CC[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1OC ZINC001208756207 1371885775 /nfs/dbraw/zinc/88/57/75/1371885775.db2.gz PFPJLZZGVLITJU-UHFFFAOYSA-N 2 1 334.504 3.299 20 0 EGADMP CC(C)CC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121232639 1371901985 /nfs/dbraw/zinc/90/19/85/1371901985.db2.gz HAMNSQCNUAHOGU-MBEFBZSESA-N 2 1 349.563 3.312 20 0 EGADMP CCCCCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001121318375 1371934936 /nfs/dbraw/zinc/93/49/36/1371934936.db2.gz GOYNZYWALFECOO-UHFFFAOYSA-N 2 1 337.552 3.314 20 0 EGADMP CCC(=O)C(C)(C)C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001208918473 1371944343 /nfs/dbraw/zinc/94/43/43/1371944343.db2.gz PLFCWFXQWPXOEN-UHFFFAOYSA-N 2 1 343.515 3.375 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CCC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC001208938092 1371953616 /nfs/dbraw/zinc/95/36/16/1371953616.db2.gz WUNNNDNWHHAMTN-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](CN3CCC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC001208938092 1371953618 /nfs/dbraw/zinc/95/36/18/1371953618.db2.gz WUNNNDNWHHAMTN-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](CN3CCC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC001208938092 1371953621 /nfs/dbraw/zinc/95/36/21/1371953621.db2.gz WUNNNDNWHHAMTN-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP CC[N@H+](CCn1ccnc1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208939090 1371954381 /nfs/dbraw/zinc/95/43/81/1371954381.db2.gz BRXXOYURJSTNEX-HXUWFJFHSA-N 2 1 326.488 3.117 20 0 EGADMP CC[N@@H+](CCn1ccnc1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208939090 1371954384 /nfs/dbraw/zinc/95/43/84/1371954384.db2.gz BRXXOYURJSTNEX-HXUWFJFHSA-N 2 1 326.488 3.117 20 0 EGADMP CC[NH+](CCn1ccnc1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208939090 1371954388 /nfs/dbraw/zinc/95/43/88/1371954388.db2.gz BRXXOYURJSTNEX-HXUWFJFHSA-N 2 1 326.488 3.117 20 0 EGADMP CC[NH+](CCn1ccnc1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208939090 1371954393 /nfs/dbraw/zinc/95/43/93/1371954393.db2.gz BRXXOYURJSTNEX-HXUWFJFHSA-N 2 1 326.488 3.117 20 0 EGADMP CCC[NH+]1C[C@@H]2CN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208942980 1371957606 /nfs/dbraw/zinc/95/76/06/1371957606.db2.gz KONPKYDKMQBROS-BHDDXSALSA-N 2 1 341.543 3.172 20 0 EGADMP F[C@H]1CN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1[NH+]1CCCC1 ZINC001208965436 1371965427 /nfs/dbraw/zinc/96/54/27/1371965427.db2.gz ZSGMEZLUDKORCL-HKBOAZHASA-N 2 1 345.506 3.017 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CC1CCC2(CC1)OCCO2 ZINC001209105600 1371998790 /nfs/dbraw/zinc/99/87/90/1371998790.db2.gz QYFKSYVQIQVIED-RBUKOAKNSA-N 2 1 336.520 3.259 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CC1CCC2(CC1)OCCO2 ZINC001209105600 1371998793 /nfs/dbraw/zinc/99/87/93/1371998793.db2.gz QYFKSYVQIQVIED-RBUKOAKNSA-N 2 1 336.520 3.259 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CC1CCC2(CC1)OCCO2 ZINC001209105600 1371998795 /nfs/dbraw/zinc/99/87/95/1371998795.db2.gz QYFKSYVQIQVIED-RBUKOAKNSA-N 2 1 336.520 3.259 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209150580 1372015500 /nfs/dbraw/zinc/01/55/00/1372015500.db2.gz SBYXDZJODCVBSK-QZTJIDSGSA-N 2 1 348.535 3.413 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209150580 1372015503 /nfs/dbraw/zinc/01/55/03/1372015503.db2.gz SBYXDZJODCVBSK-QZTJIDSGSA-N 2 1 348.535 3.413 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCCC(C)C)C2)C1 ZINC001209204760 1372037892 /nfs/dbraw/zinc/03/78/92/1372037892.db2.gz LISRHEZJWFQVJS-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001209205055 1372038031 /nfs/dbraw/zinc/03/80/31/1372038031.db2.gz MLWMUDSLAPCGHN-NHQAVIFJSA-N 2 1 349.563 3.435 20 0 EGADMP C[C@H]1C[C@@H]1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001209414388 1372099465 /nfs/dbraw/zinc/09/94/65/1372099465.db2.gz LVQOJIFOTUWLTQ-ZXNZYJFHSA-N 2 1 332.532 3.103 20 0 EGADMP C[C@H]1C[C@@H]1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001209414388 1372099470 /nfs/dbraw/zinc/09/94/70/1372099470.db2.gz LVQOJIFOTUWLTQ-ZXNZYJFHSA-N 2 1 332.532 3.103 20 0 EGADMP C[C@H]1C[C@@H]1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001209414388 1372099475 /nfs/dbraw/zinc/09/94/75/1372099475.db2.gz LVQOJIFOTUWLTQ-ZXNZYJFHSA-N 2 1 332.532 3.103 20 0 EGADMP C[C@H]1C[C@H]1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001209414379 1372099750 /nfs/dbraw/zinc/09/97/50/1372099750.db2.gz LVQOJIFOTUWLTQ-DVWBAYGPSA-N 2 1 332.532 3.103 20 0 EGADMP C[C@H]1C[C@H]1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001209414379 1372099754 /nfs/dbraw/zinc/09/97/54/1372099754.db2.gz LVQOJIFOTUWLTQ-DVWBAYGPSA-N 2 1 332.532 3.103 20 0 EGADMP C[C@H]1C[C@H]1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001209414379 1372099760 /nfs/dbraw/zinc/09/97/60/1372099760.db2.gz LVQOJIFOTUWLTQ-DVWBAYGPSA-N 2 1 332.532 3.103 20 0 EGADMP c1cc(-c2ncnc3c2CC[N@H+](CCC[NH+]2CCCCC2)CC3)co1 ZINC001209450482 1372108913 /nfs/dbraw/zinc/10/89/13/1372108913.db2.gz LIKGIRRSLKFMTM-UHFFFAOYSA-N 2 1 340.471 3.013 20 0 EGADMP c1cc(-c2ncnc3c2CC[N@@H+](CCC[NH+]2CCCCC2)CC3)co1 ZINC001209450482 1372108915 /nfs/dbraw/zinc/10/89/15/1372108915.db2.gz LIKGIRRSLKFMTM-UHFFFAOYSA-N 2 1 340.471 3.013 20 0 EGADMP COc1ccccc1[C@@H](O)C[N@@H+](CCC[NH+]1CCCCC1)C(C)C ZINC001209450015 1372109126 /nfs/dbraw/zinc/10/91/26/1372109126.db2.gz DQQVUSHCAYYZNT-IBGZPJMESA-N 2 1 334.504 3.315 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209450410 1372109468 /nfs/dbraw/zinc/10/94/68/1372109468.db2.gz IVSZADIMKOJHQR-KRWDZBQOSA-N 2 1 339.524 3.051 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC1CC2(C1)CC([NH2+]CCC(C)C)C2 ZINC001121915864 1372122182 /nfs/dbraw/zinc/12/21/82/1372122182.db2.gz PVIWMPZNYJKJFA-UHFFFAOYSA-N 2 1 346.519 3.035 20 0 EGADMP c1cc2ccc(C[N@H+]3C[C@H]4CN(Cc5ccccn5)C[C@H]4C3)cc2[nH]1 ZINC001209511853 1372125140 /nfs/dbraw/zinc/12/51/40/1372125140.db2.gz YXOJRTYLFJSDET-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(Cc3cnccn3)C[C@@H]21 ZINC001209780776 1372194934 /nfs/dbraw/zinc/19/49/34/1372194934.db2.gz DLRPNNNQXPWPQN-ZYSHUDEJSA-N 2 1 342.512 3.271 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001209957662 1372241251 /nfs/dbraw/zinc/24/12/51/1372241251.db2.gz FUYFBQZCHKSKJQ-PORCLINASA-N 2 1 349.563 3.290 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CC[C@H](C)F)C[C@H]1C ZINC001210237057 1372300815 /nfs/dbraw/zinc/30/08/15/1372300815.db2.gz XUINRRGXAYQJGW-FGTMMUONSA-N 2 1 343.531 3.073 20 0 EGADMP Fc1cccc(-c2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)on2)c1 ZINC001210262450 1372308806 /nfs/dbraw/zinc/30/88/06/1372308806.db2.gz FTYHWYWKMHJCCE-UHFFFAOYSA-N 2 1 339.374 3.029 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001210492869 1372365998 /nfs/dbraw/zinc/36/59/98/1372365998.db2.gz FDDVFNOEYKIQGK-MOPGFXCFSA-N 2 1 345.531 3.287 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCC(C)C)C1 ZINC001210586729 1372384734 /nfs/dbraw/zinc/38/47/34/1372384734.db2.gz ZVXBNRNLVISGIJ-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094922 1372484766 /nfs/dbraw/zinc/48/47/66/1372484766.db2.gz YZEJZJYMFXKCNQ-SBUVDCAVSA-N 2 1 349.563 3.435 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211443821 1372559568 /nfs/dbraw/zinc/55/95/68/1372559568.db2.gz IOTONLBRRNXZGC-BGEOSOQGSA-N 2 1 349.563 3.435 20 0 EGADMP Cc1noc2ccc(-c3noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n3)cc12 ZINC001212145389 1372664101 /nfs/dbraw/zinc/66/41/01/1372664101.db2.gz RQRLZPORPYGCIU-HNNXBMFYSA-N 2 1 343.431 3.354 20 0 EGADMP COc1ccc(F)cc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212145413 1372664210 /nfs/dbraw/zinc/66/42/10/1372664210.db2.gz SYJIDXHLALCTEV-AWEZNQCLSA-N 2 1 336.411 3.052 20 0 EGADMP CC[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)CC=C(C)C)[NH+](C)C ZINC001326495374 1388218459 /nfs/dbraw/zinc/21/84/59/1388218459.db2.gz SSNPHCHVDUGACB-IBGZPJMESA-N 2 1 331.504 3.041 20 0 EGADMP CCCCCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001214661750 1373098517 /nfs/dbraw/zinc/09/85/17/1373098517.db2.gz BSIKJPHAPZIYOM-FGTMMUONSA-N 2 1 348.535 3.413 20 0 EGADMP CCC/C=C\CC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357153 1373118463 /nfs/dbraw/zinc/11/84/63/1373118463.db2.gz SXFUHNKMDPCHLQ-XDXAGZTOSA-N 2 1 335.536 3.093 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001214990442 1373152756 /nfs/dbraw/zinc/15/27/56/1373152756.db2.gz PNFOKARJADKOFW-RVKKMQEKSA-N 2 1 349.494 3.054 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001214990587 1373152802 /nfs/dbraw/zinc/15/28/02/1373152802.db2.gz XAWOWQHOEMLZNI-IIDMSEBBSA-N 2 1 349.494 3.054 20 0 EGADMP CC[C@@H]([NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C)c1ccc(F)cc1 ZINC001216226320 1373285248 /nfs/dbraw/zinc/28/52/48/1373285248.db2.gz SDXNPVQTMWBBJM-ATZDWAIDSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001216510848 1373313060 /nfs/dbraw/zinc/31/30/60/1373313060.db2.gz ARLCZFJQMCQXHP-QWFCFKBJSA-N 2 1 345.531 3.143 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216849932 1373350814 /nfs/dbraw/zinc/35/08/14/1373350814.db2.gz BQYKKVXJTVQHCU-NSISKUIASA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001129839485 1373427650 /nfs/dbraw/zinc/42/76/50/1373427650.db2.gz ALNBLAGQPFNEOG-XLIONFOSSA-N 2 1 345.531 3.451 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C)c1cccc2ccccc21 ZINC001130305800 1373487977 /nfs/dbraw/zinc/48/79/77/1373487977.db2.gz LRCUOPUPZDAIIE-JXFKEZNVSA-N 2 1 339.483 3.091 20 0 EGADMP c1ccc(C[N@@H+]2CCc3nc(O[C@H]4CCC[NH2+]CC4)ccc3C2)cc1 ZINC001217994216 1373529686 /nfs/dbraw/zinc/52/96/86/1373529686.db2.gz FWUIVNNNUSVXDM-IBGZPJMESA-N 2 1 337.467 3.161 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(O[C@H]4CCC[NH2+]CC4)ccc3C2)cc1 ZINC001217994216 1373529690 /nfs/dbraw/zinc/52/96/90/1373529690.db2.gz FWUIVNNNUSVXDM-IBGZPJMESA-N 2 1 337.467 3.161 20 0 EGADMP C[C@@H]1C[C@@H](Oc2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC[NH2+]1 ZINC001218051299 1373548027 /nfs/dbraw/zinc/54/80/27/1373548027.db2.gz XPJKCMXIJKCRBU-APWZRJJASA-N 2 1 337.467 3.159 20 0 EGADMP C[C@@H]1C[C@@H](Oc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC[NH2+]1 ZINC001218051299 1373548030 /nfs/dbraw/zinc/54/80/30/1373548030.db2.gz XPJKCMXIJKCRBU-APWZRJJASA-N 2 1 337.467 3.159 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130615411 1373571063 /nfs/dbraw/zinc/57/10/63/1373571063.db2.gz LTIHMCKPLRGWAI-UHFFFAOYSA-N 2 1 345.531 3.162 20 0 EGADMP C[NH+](C)Cc1cc(O[C@@H]2CC[NH2+]C(C)(C)C2)ccc1Br ZINC001218473136 1373620321 /nfs/dbraw/zinc/62/03/21/1373620321.db2.gz VDZBIFSXRBJXIR-CQSZACIVSA-N 2 1 341.293 3.420 20 0 EGADMP O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)C1CC[NH2+]CC1 ZINC001218849976 1373660320 /nfs/dbraw/zinc/66/03/20/1373660320.db2.gz YLWZYZSSNRMKDV-UHFFFAOYSA-N 2 1 335.451 3.141 20 0 EGADMP O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)C1CC[NH2+]CC1 ZINC001218849976 1373660326 /nfs/dbraw/zinc/66/03/26/1373660326.db2.gz YLWZYZSSNRMKDV-UHFFFAOYSA-N 2 1 335.451 3.141 20 0 EGADMP Clc1cccc(Cl)c1C[N@@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222401076 1373838842 /nfs/dbraw/zinc/83/88/42/1373838842.db2.gz PLVWDZDQMLOMCX-UHFFFAOYSA-N 2 1 329.271 3.195 20 0 EGADMP Clc1cccc(Cl)c1C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222401076 1373838846 /nfs/dbraw/zinc/83/88/46/1373838846.db2.gz PLVWDZDQMLOMCX-UHFFFAOYSA-N 2 1 329.271 3.195 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](OCCC[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001224746371 1375074184 /nfs/dbraw/zinc/07/41/84/1375074184.db2.gz APQZZUDVHCYKRX-PWRODBHTSA-N 2 1 328.500 3.400 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225577956 1375126652 /nfs/dbraw/zinc/12/66/52/1375126652.db2.gz NNIPFTKHHLUPJB-XLIONFOSSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CC1CCCCC1 ZINC001132105463 1375149730 /nfs/dbraw/zinc/14/97/30/1375149730.db2.gz HLEOUUIHPHNLRO-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCCC1CCC1 ZINC001132105644 1375150829 /nfs/dbraw/zinc/15/08/29/1375150829.db2.gz KQDIDVZQDUEPPB-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCCC1CCC1 ZINC001132105644 1375150831 /nfs/dbraw/zinc/15/08/31/1375150831.db2.gz KQDIDVZQDUEPPB-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCCC1CCC1 ZINC001132105644 1375150834 /nfs/dbraw/zinc/15/08/34/1375150834.db2.gz KQDIDVZQDUEPPB-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CC1CC2(CCC2)C1 ZINC001132105903 1375151292 /nfs/dbraw/zinc/15/12/92/1375151292.db2.gz OGIKFQNWIBVCAY-AEFFLSMTSA-N 2 1 347.547 3.020 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)c2cc3c[nH]ccc-3n2)CC[C@@H]1C ZINC001132133064 1375163863 /nfs/dbraw/zinc/16/38/63/1375163863.db2.gz XLXJSRMDESUDJQ-GOEBONIOSA-N 2 1 328.460 3.336 20 0 EGADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cccc(F)c2)C1 ZINC001132152604 1375173233 /nfs/dbraw/zinc/17/32/33/1375173233.db2.gz FWZHONPGHZFYHV-CRAIPNDOSA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cccc(F)c2)C1 ZINC001132152604 1375173238 /nfs/dbraw/zinc/17/32/38/1375173238.db2.gz FWZHONPGHZFYHV-CRAIPNDOSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(F)c2)C1 ZINC001132152604 1375173240 /nfs/dbraw/zinc/17/32/40/1375173240.db2.gz FWZHONPGHZFYHV-CRAIPNDOSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(F)c2)C1 ZINC001132152604 1375173245 /nfs/dbraw/zinc/17/32/45/1375173245.db2.gz FWZHONPGHZFYHV-CRAIPNDOSA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](CCCC(C)C)C1 ZINC001132154276 1375174210 /nfs/dbraw/zinc/17/42/10/1375174210.db2.gz YCMLXOWMQWSOMZ-DLBZAZTESA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCC(C)C)C1 ZINC001132154276 1375174212 /nfs/dbraw/zinc/17/42/12/1375174212.db2.gz YCMLXOWMQWSOMZ-DLBZAZTESA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC(C)C)C1 ZINC001132154276 1375174214 /nfs/dbraw/zinc/17/42/14/1375174214.db2.gz YCMLXOWMQWSOMZ-DLBZAZTESA-N 2 1 325.541 3.122 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CCCC(C)(C)C ZINC001132264811 1375254955 /nfs/dbraw/zinc/25/49/55/1375254955.db2.gz BUBRRNBFPYSWMF-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CCCC1CCCC1 ZINC001132265825 1375255209 /nfs/dbraw/zinc/25/52/09/1375255209.db2.gz TYBKAMFMTMHOCE-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CCCC1CCCC1 ZINC001132265826 1375255265 /nfs/dbraw/zinc/25/52/65/1375255265.db2.gz TYBKAMFMTMHOCE-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)c(C)c1 ZINC001132269523 1375257290 /nfs/dbraw/zinc/25/72/90/1375257290.db2.gz LGVNXBCCTCLWOG-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309663 1375286824 /nfs/dbraw/zinc/28/68/24/1375286824.db2.gz AWHVMHKEQBWGHU-RKQNLGICSA-N 2 1 337.552 3.290 20 0 EGADMP CC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309663 1375286828 /nfs/dbraw/zinc/28/68/28/1375286828.db2.gz AWHVMHKEQBWGHU-RKQNLGICSA-N 2 1 337.552 3.290 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309828 1375287643 /nfs/dbraw/zinc/28/76/43/1375287643.db2.gz FDCLTJIEVVTBLW-MSOLQXFVSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309828 1375287653 /nfs/dbraw/zinc/28/76/53/1375287653.db2.gz FDCLTJIEVVTBLW-MSOLQXFVSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309828 1375287662 /nfs/dbraw/zinc/28/76/62/1375287662.db2.gz FDCLTJIEVVTBLW-MSOLQXFVSA-N 2 1 339.568 3.370 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCC3(CCC[NH2+]3)CC2)cc1 ZINC001226784785 1375333359 /nfs/dbraw/zinc/33/33/59/1375333359.db2.gz NLSZDYLKMKKOOW-HXUWFJFHSA-N 2 1 327.516 3.259 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001132376389 1375338335 /nfs/dbraw/zinc/33/83/35/1375338335.db2.gz MJVGISDMEHFHLL-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccc(C)cc2C)C1 ZINC001132409761 1375358153 /nfs/dbraw/zinc/35/81/53/1375358153.db2.gz DTUXOFAZFQVAHN-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2C)C1 ZINC001132409761 1375358155 /nfs/dbraw/zinc/35/81/55/1375358155.db2.gz DTUXOFAZFQVAHN-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001132409761 1375358160 /nfs/dbraw/zinc/35/81/60/1375358160.db2.gz DTUXOFAZFQVAHN-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CCC2=CCCCC2)C1 ZINC001132409853 1375358205 /nfs/dbraw/zinc/35/82/05/1375358205.db2.gz FVQKVDJSXUJCKE-PKOBYXMFSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001132409853 1375358211 /nfs/dbraw/zinc/35/82/11/1375358211.db2.gz FVQKVDJSXUJCKE-PKOBYXMFSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001132409853 1375358214 /nfs/dbraw/zinc/35/82/14/1375358214.db2.gz FVQKVDJSXUJCKE-PKOBYXMFSA-N 2 1 335.536 3.188 20 0 EGADMP CCc1cccc(C[NH+]2C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]2C)c1 ZINC001132409814 1375359101 /nfs/dbraw/zinc/35/91/01/1375359101.db2.gz FMGJMTUMWPKBOC-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[N@@H+]2C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]2C)c1 ZINC001132409814 1375359107 /nfs/dbraw/zinc/35/91/07/1375359107.db2.gz FMGJMTUMWPKBOC-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[N@H+]2C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]2C)c1 ZINC001132409814 1375359109 /nfs/dbraw/zinc/35/91/09/1375359109.db2.gz FMGJMTUMWPKBOC-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132410834 1375359524 /nfs/dbraw/zinc/35/95/24/1375359524.db2.gz OWVIZDGYFZOTIH-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132410834 1375359529 /nfs/dbraw/zinc/35/95/29/1375359529.db2.gz OWVIZDGYFZOTIH-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132410834 1375359534 /nfs/dbraw/zinc/35/95/34/1375359534.db2.gz OWVIZDGYFZOTIH-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](C/C=C\c2ccccc2)C1 ZINC001132410942 1375360454 /nfs/dbraw/zinc/36/04/54/1375360454.db2.gz QAZBOSKRLHPFHV-NCJCTJFTSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](C/C=C\c2ccccc2)C1 ZINC001132410942 1375360459 /nfs/dbraw/zinc/36/04/59/1375360459.db2.gz QAZBOSKRLHPFHV-NCJCTJFTSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](C/C=C\c2ccccc2)C1 ZINC001132410942 1375360462 /nfs/dbraw/zinc/36/04/62/1375360462.db2.gz QAZBOSKRLHPFHV-NCJCTJFTSA-N 2 1 343.515 3.011 20 0 EGADMP Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]2C)c1 ZINC001132432268 1375376975 /nfs/dbraw/zinc/37/69/75/1375376975.db2.gz BMHZZWPAPBXUAV-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC(CC)CC)C1 ZINC001132436345 1375381669 /nfs/dbraw/zinc/38/16/69/1375381669.db2.gz KRCBLIKEGNWEOE-WMZOPIPTSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(CC)CC)C1 ZINC001132436345 1375381674 /nfs/dbraw/zinc/38/16/74/1375381674.db2.gz KRCBLIKEGNWEOE-WMZOPIPTSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(CC)CC)C1 ZINC001132436345 1375381680 /nfs/dbraw/zinc/38/16/80/1375381680.db2.gz KRCBLIKEGNWEOE-WMZOPIPTSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(CC)cc2)C1 ZINC001132440771 1375384202 /nfs/dbraw/zinc/38/42/02/1375384202.db2.gz FPPIMIILDDWHLA-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(CC)cc2)C1 ZINC001132440771 1375384204 /nfs/dbraw/zinc/38/42/04/1375384204.db2.gz FPPIMIILDDWHLA-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(CC)cc2)C1 ZINC001132440771 1375384208 /nfs/dbraw/zinc/38/42/08/1375384208.db2.gz FPPIMIILDDWHLA-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001227149850 1375397833 /nfs/dbraw/zinc/39/78/33/1375397833.db2.gz FUWYVVRAAJELMS-QZTJIDSGSA-N 2 1 337.552 3.314 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132517292 1375435985 /nfs/dbraw/zinc/43/59/85/1375435985.db2.gz AOZAUQOSSIAMIL-RBUKOAKNSA-N 2 1 337.552 3.412 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132518133 1375436234 /nfs/dbraw/zinc/43/62/34/1375436234.db2.gz IWGPDEBYSKICDG-PKOBYXMFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001132518133 1375436239 /nfs/dbraw/zinc/43/62/39/1375436239.db2.gz IWGPDEBYSKICDG-PKOBYXMFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001132518133 1375436242 /nfs/dbraw/zinc/43/62/42/1375436242.db2.gz IWGPDEBYSKICDG-PKOBYXMFSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132519477 1375437245 /nfs/dbraw/zinc/43/72/45/1375437245.db2.gz ZLWQBGZMWRKQDA-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CC1CCCC1 ZINC001132526227 1375442460 /nfs/dbraw/zinc/44/24/60/1375442460.db2.gz ZJENHCRLSIHKCB-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541143 1375448606 /nfs/dbraw/zinc/44/86/06/1375448606.db2.gz AOQJEYHSLPMPPA-QUCCMNQESA-N 2 1 345.531 3.278 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541143 1375448607 /nfs/dbraw/zinc/44/86/07/1375448607.db2.gz AOQJEYHSLPMPPA-QUCCMNQESA-N 2 1 345.531 3.278 20 0 EGADMP CCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541143 1375448609 /nfs/dbraw/zinc/44/86/09/1375448609.db2.gz AOQJEYHSLPMPPA-QUCCMNQESA-N 2 1 345.531 3.278 20 0 EGADMP CCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541143 1375448611 /nfs/dbraw/zinc/44/86/11/1375448611.db2.gz AOQJEYHSLPMPPA-QUCCMNQESA-N 2 1 345.531 3.278 20 0 EGADMP CC(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132542307 1375450112 /nfs/dbraw/zinc/45/01/12/1375450112.db2.gz OWEXBCORBDGMFC-QUCCMNQESA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132542307 1375450115 /nfs/dbraw/zinc/45/01/15/1375450115.db2.gz OWEXBCORBDGMFC-QUCCMNQESA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132542307 1375450118 /nfs/dbraw/zinc/45/01/18/1375450118.db2.gz OWEXBCORBDGMFC-QUCCMNQESA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132542307 1375450123 /nfs/dbraw/zinc/45/01/23/1375450123.db2.gz OWEXBCORBDGMFC-QUCCMNQESA-N 2 1 345.531 3.134 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548489 1375455334 /nfs/dbraw/zinc/45/53/34/1375455334.db2.gz DOSMGPIYCARJPA-RBUKOAKNSA-N 2 1 337.552 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC=C(C)C)C1 ZINC001228137759 1375520021 /nfs/dbraw/zinc/52/00/21/1375520021.db2.gz LFLGXYIPLSHITF-GUDVDZBRSA-N 2 1 335.536 3.092 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001228932752 1375720502 /nfs/dbraw/zinc/72/05/02/1375720502.db2.gz USGIZPXKQUZPIS-QRVBRYPASA-N 2 1 335.536 3.233 20 0 EGADMP [NH2+]=C(NO)c1ccc(OC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC001229079701 1375758704 /nfs/dbraw/zinc/75/87/04/1375758704.db2.gz YGDSPXNZBMNDSW-UHFFFAOYSA-N 2 1 343.402 3.173 20 0 EGADMP C[N@@H+](CC(=O)NC1CC[NH+](CC2CC3(CCC3)C2)CC1)CC(C)(C)C ZINC001229214722 1375788981 /nfs/dbraw/zinc/78/89/81/1375788981.db2.gz KTFCSIZXGRKBHF-UHFFFAOYSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133142885 1375803636 /nfs/dbraw/zinc/80/36/36/1375803636.db2.gz PWEFLLOROMAVJA-ROUUACIJSA-N 2 1 348.535 3.271 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133224823 1375852881 /nfs/dbraw/zinc/85/28/81/1375852881.db2.gz FCRZORNOVBHIEC-QUCCMNQESA-N 2 1 349.563 3.293 20 0 EGADMP CCC/C=C\CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001229544985 1375853356 /nfs/dbraw/zinc/85/33/56/1375853356.db2.gz OYOBPQRZMPZRIQ-PSCPARJHSA-N 2 1 347.547 3.330 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133225842 1375853443 /nfs/dbraw/zinc/85/34/43/1375853443.db2.gz KPHUIUMFBNELAF-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001229616554 1375864989 /nfs/dbraw/zinc/86/49/89/1375864989.db2.gz MRMDGMSALHAKBI-UHFFFAOYSA-N 2 1 348.535 3.379 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001133263413 1375880348 /nfs/dbraw/zinc/88/03/48/1375880348.db2.gz UZKCBQHGGAGWBQ-AZUAARDMSA-N 2 1 349.563 3.293 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001133314495 1375916535 /nfs/dbraw/zinc/91/65/35/1375916535.db2.gz NMTPOSHWOIOUKL-LJJUJYJISA-N 2 1 346.519 3.012 20 0 EGADMP Fc1cccc(Cl)c1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001327148998 1388406253 /nfs/dbraw/zinc/40/62/53/1388406253.db2.gz CAACTEBYFGOOHZ-OAHLLOKOSA-N 2 1 340.870 3.255 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC001230284803 1375984752 /nfs/dbraw/zinc/98/47/52/1375984752.db2.gz VTUJRDLCRWASHR-VAMGGRTRSA-N 2 1 343.515 3.031 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001230359604 1376008607 /nfs/dbraw/zinc/00/86/07/1376008607.db2.gz FJGGLXHNDYULFE-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+]2CC2CCCC2)CC1 ZINC001230630743 1376109110 /nfs/dbraw/zinc/10/91/10/1376109110.db2.gz UMELITPLDLQOOI-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CCCC2)CC1 ZINC001230630743 1376109113 /nfs/dbraw/zinc/10/91/13/1376109113.db2.gz UMELITPLDLQOOI-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CCCC2)CC1 ZINC001230630743 1376109119 /nfs/dbraw/zinc/10/91/19/1376109119.db2.gz UMELITPLDLQOOI-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CN1CCC([N@@H+](C)Cc2c[nH]c3c2cccc3Br)CC1 ZINC001232016030 1376383704 /nfs/dbraw/zinc/38/37/04/1376383704.db2.gz GCSJFVGKVMHXRR-UHFFFAOYSA-N 2 1 336.277 3.456 20 0 EGADMP C[N@H+](Cc1c[nH]c2c1cccc2Br)C1CC[NH+](C)CC1 ZINC001232016030 1376383710 /nfs/dbraw/zinc/38/37/10/1376383710.db2.gz GCSJFVGKVMHXRR-UHFFFAOYSA-N 2 1 336.277 3.456 20 0 EGADMP C[N@@H+](Cc1c[nH]c2c1cccc2Br)C1CC[NH+](C)CC1 ZINC001232016030 1376383716 /nfs/dbraw/zinc/38/37/16/1376383716.db2.gz GCSJFVGKVMHXRR-UHFFFAOYSA-N 2 1 336.277 3.456 20 0 EGADMP c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cc3c[nH+]ccc3[nH]2)c1 ZINC001232014683 1376384929 /nfs/dbraw/zinc/38/49/29/1376384929.db2.gz LWICERFCLSJHTR-CALCHBBNSA-N 2 1 338.480 3.473 20 0 EGADMP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232019181 1376385288 /nfs/dbraw/zinc/38/52/88/1376385288.db2.gz XMNMFTBYLIZHJE-CZUORRHYSA-N 2 1 344.459 3.441 20 0 EGADMP Oc1cncc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC001232042646 1376388314 /nfs/dbraw/zinc/38/83/14/1376388314.db2.gz UXHPRGHYGGOLHS-UHFFFAOYSA-N 2 1 337.467 3.275 20 0 EGADMP CC[C@@]1(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC[NH2+]C1 ZINC001327207347 1388443731 /nfs/dbraw/zinc/44/37/31/1388443731.db2.gz XSTLLHWTXJISIM-OXQOHEQNSA-N 2 1 329.488 3.389 20 0 EGADMP C[N@H+](Cc1cccc(NC(=O)OC(C)(C)C)n1)CC1CC[NH+](C)CC1 ZINC001232603546 1376487585 /nfs/dbraw/zinc/48/75/85/1376487585.db2.gz HVVAVKLHZNCXAK-UHFFFAOYSA-N 2 1 348.491 3.202 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001327226006 1388452676 /nfs/dbraw/zinc/45/26/76/1388452676.db2.gz VMNWHOUONLXPEX-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@@H](c1cccc(F)c1)[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001327226006 1388452679 /nfs/dbraw/zinc/45/26/79/1388452679.db2.gz VMNWHOUONLXPEX-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@@H](c1cccc(F)c1)[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001327226006 1388452683 /nfs/dbraw/zinc/45/26/83/1388452683.db2.gz VMNWHOUONLXPEX-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)cc1C ZINC001134612412 1376624193 /nfs/dbraw/zinc/62/41/93/1376624193.db2.gz MDQJBFZXTGFHBI-ROUUACIJSA-N 2 1 345.531 3.161 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CCC1=CCCCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612904 1376624252 /nfs/dbraw/zinc/62/42/52/1376624252.db2.gz QTFLIKCGTHDYFN-IAGOWNOFSA-N 2 1 335.536 3.234 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134611842 1376624799 /nfs/dbraw/zinc/62/47/99/1376624799.db2.gz CRIWXKITEQMEGF-DLBZAZTESA-N 2 1 337.552 3.314 20 0 EGADMP CCC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134774155 1376714415 /nfs/dbraw/zinc/71/44/15/1376714415.db2.gz VYMDNKLVXVKBQC-MMCLNADLSA-N 2 1 325.541 3.336 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC001134773150 1376713992 /nfs/dbraw/zinc/71/39/92/1376713992.db2.gz MFGWNEXADFEUOV-KGLIPLIRSA-N 2 1 339.549 3.160 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCC(C)(C)C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234346574 1376815286 /nfs/dbraw/zinc/81/52/86/1376815286.db2.gz YNHJKZCPRVLWKP-QGZVFWFLSA-N 2 1 337.552 3.220 20 0 EGADMP c1ccc(Oc2cccc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c2)cc1 ZINC001235035205 1376833555 /nfs/dbraw/zinc/83/35/55/1376833555.db2.gz DDPXCAMWIDOBGK-WIYYLYMNSA-N 2 1 338.451 3.289 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C[C@@H]1CC[NH+]1CC1=CCCCC1 ZINC001235337597 1376867990 /nfs/dbraw/zinc/86/79/90/1376867990.db2.gz ULSOWMOZWUSWTK-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001235337597 1376867994 /nfs/dbraw/zinc/86/79/94/1376867994.db2.gz ULSOWMOZWUSWTK-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)C[C@@H]1CC[N@H+]1CC1=CCCCC1 ZINC001235337597 1376867997 /nfs/dbraw/zinc/86/79/97/1376867997.db2.gz ULSOWMOZWUSWTK-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP COc1ccc2nccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235427652 1376871061 /nfs/dbraw/zinc/87/10/61/1376871061.db2.gz MTBXDXNYWQGGRS-SJORKVTESA-N 2 1 339.483 3.455 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001235629781 1376879193 /nfs/dbraw/zinc/87/91/93/1376879193.db2.gz SBFZFJQAQXYMGK-HXUWFJFHSA-N 2 1 333.495 3.385 20 0 EGADMP CC[NH2+]C1CC[NH+](Cc2ccc(OC)c3cccc(OC)c23)CC1 ZINC001235726282 1376886652 /nfs/dbraw/zinc/88/66/52/1376886652.db2.gz LYHHHLPZPFVZID-UHFFFAOYSA-N 2 1 328.456 3.431 20 0 EGADMP O=C(NCC[NH2+]CCC1CCCCCC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135102817 1376901107 /nfs/dbraw/zinc/90/11/07/1376901107.db2.gz OIJYYEVGMGTCAV-RTBURBONSA-N 2 1 335.536 3.070 20 0 EGADMP [NH3+]CCCCCC[NH+]1CCN(c2c(Cl)cncc2Cl)CC1 ZINC001235881581 1376908412 /nfs/dbraw/zinc/90/84/12/1376908412.db2.gz GOAVBIDAIWIQNJ-UHFFFAOYSA-N 2 1 331.291 3.030 20 0 EGADMP Clc1cccc([C@H]2CC[N@@H+](CC[C@@H]3C[NH2+]CCO3)C2)c1Cl ZINC001235885227 1376910737 /nfs/dbraw/zinc/91/07/37/1376910737.db2.gz TWYLNECEKZDKPQ-QWHCGFSZSA-N 2 1 329.271 3.161 20 0 EGADMP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1OC1CCCC1 ZINC001235942861 1376920983 /nfs/dbraw/zinc/92/09/83/1376920983.db2.gz YJLVJWRIXSIQPW-DLBZAZTESA-N 2 1 330.472 3.058 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1OC1CCCC1 ZINC001235942861 1376920994 /nfs/dbraw/zinc/92/09/94/1376920994.db2.gz YJLVJWRIXSIQPW-DLBZAZTESA-N 2 1 330.472 3.058 20 0 EGADMP CCN(C[C@H]([NH3+])Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235947603 1376922729 /nfs/dbraw/zinc/92/27/29/1376922729.db2.gz DMYZMKIRESHVIX-FGZHOGPDSA-N 2 1 337.511 3.153 20 0 EGADMP Cc1ccc([C@]2(C)C[N@@H+](CC3CC4(C3)CC[NH2+]CC4)CCO2)cc1 ZINC001235947535 1376922976 /nfs/dbraw/zinc/92/29/76/1376922976.db2.gz DVJKRRHEFAXDIG-FQEVSTJZSA-N 2 1 328.500 3.322 20 0 EGADMP COc1ccc(C(F)(F)F)c(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1 ZINC001236005664 1376926183 /nfs/dbraw/zinc/92/61/83/1376926183.db2.gz MPHBIQIVWHONNV-UHFFFAOYSA-N 2 1 328.378 3.290 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccc5c(c4)C[NH2+]C5)C[C@@H]3C2)cc1 ZINC001236182939 1376939597 /nfs/dbraw/zinc/93/95/97/1376939597.db2.gz AVPXNEDUJCICCL-JTHBVZDNSA-N 2 1 347.506 3.244 20 0 EGADMP CCC[N@H+](Cc1ccc(Br)cc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236844143 1376966554 /nfs/dbraw/zinc/96/65/54/1376966554.db2.gz UCTPIKNHBINKPG-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP CCC[N@@H+](Cc1ccc(Br)cc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236844143 1376966551 /nfs/dbraw/zinc/96/65/51/1376966551.db2.gz UCTPIKNHBINKPG-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP CCC[N@H+](Cc1ccc(OC(F)(F)F)c(OC)c1)C[C@H]1CC[NH2+]C1 ZINC001236845078 1376966799 /nfs/dbraw/zinc/96/67/99/1376966799.db2.gz YUIATZMBPBYQNR-AWEZNQCLSA-N 2 1 346.393 3.415 20 0 EGADMP Fc1ccc(C(F)(F)F)cc1[C@H]1CCC[N@H+]1CC[C@H]1C[NH2+]CCO1 ZINC001237058356 1376974310 /nfs/dbraw/zinc/97/43/10/1376974310.db2.gz ZTKZICYNNNDWGS-XJKSGUPXSA-N 2 1 346.368 3.360 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001135305355 1377028310 /nfs/dbraw/zinc/02/83/10/1377028310.db2.gz RWFBXZJIDKPCSO-QGZVFWFLSA-N 2 1 342.487 3.056 20 0 EGADMP Clc1cccc2c1C[C@H]([NH2+][C@@H]1CCCC[C@@]13C[NH2+]CCO3)CC2 ZINC001246160583 1377050334 /nfs/dbraw/zinc/05/03/34/1377050334.db2.gz NTFIXNIVILSIBM-ATZDWAIDSA-N 2 1 334.891 3.088 20 0 EGADMP COc1ccc([C@@H]2C[C@H]([N@H+]3CCC[C@@](F)(C[NH3+])CC3)CCO2)cc1 ZINC001246546376 1377052427 /nfs/dbraw/zinc/05/24/27/1377052427.db2.gz GHMWBKOLBCGKOK-NEWSRXKRSA-N 2 1 336.451 3.068 20 0 EGADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+]([C@H]2CC[C@@H](C)[NH2+]C2)C3)c1 ZINC001246727878 1377053450 /nfs/dbraw/zinc/05/34/50/1377053450.db2.gz WYUSVMRGPHSATO-PBASOCQRSA-N 2 1 343.515 3.149 20 0 EGADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C3)c1 ZINC001246717473 1377053502 /nfs/dbraw/zinc/05/35/02/1377053502.db2.gz ACRKAMGCNFWOSR-WLRLJWMZSA-N 2 1 343.515 3.149 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21 ZINC001246763483 1377053949 /nfs/dbraw/zinc/05/39/49/1377053949.db2.gz CPDTYJZGBZKUJQ-KKIXZNNDSA-N 3 1 339.527 3.380 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21 ZINC001246763483 1377053951 /nfs/dbraw/zinc/05/39/51/1377053951.db2.gz CPDTYJZGBZKUJQ-KKIXZNNDSA-N 3 1 339.527 3.380 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21 ZINC001246763483 1377053954 /nfs/dbraw/zinc/05/39/54/1377053954.db2.gz CPDTYJZGBZKUJQ-KKIXZNNDSA-N 3 1 339.527 3.380 20 0 EGADMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21 ZINC001246763483 1377053958 /nfs/dbraw/zinc/05/39/58/1377053958.db2.gz CPDTYJZGBZKUJQ-KKIXZNNDSA-N 2 1 339.527 3.380 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21 ZINC001246763483 1377053961 /nfs/dbraw/zinc/05/39/61/1377053961.db2.gz CPDTYJZGBZKUJQ-KKIXZNNDSA-N 2 1 339.527 3.380 20 0 EGADMP C(O[C@@H]1CCC[C@@H]2C[N@H+](C3CCC4(CC[NH2+]C4)CC3)C[C@@H]21)C1CC1 ZINC001246747303 1377054601 /nfs/dbraw/zinc/05/46/01/1377054601.db2.gz URNCCWPWJSTYEE-FBMNKOPTSA-N 2 1 332.532 3.436 20 0 EGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC[NH2+]1 ZINC001246821066 1377054940 /nfs/dbraw/zinc/05/49/40/1377054940.db2.gz ICLMPKCWXDEFAJ-FYQPLNBISA-N 2 1 327.516 3.112 20 0 EGADMP CC(C)(C)[C@@H]1C[C@H](N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)CC[NH2+]1 ZINC001246821066 1377054945 /nfs/dbraw/zinc/05/49/45/1377054945.db2.gz ICLMPKCWXDEFAJ-FYQPLNBISA-N 2 1 327.516 3.112 20 0 EGADMP CC(C)(C)[C@@H]1C[C@H](N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)CC[NH2+]1 ZINC001246821066 1377054951 /nfs/dbraw/zinc/05/49/51/1377054951.db2.gz ICLMPKCWXDEFAJ-FYQPLNBISA-N 2 1 327.516 3.112 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+][C@H]1CCCc2ccccc21 ZINC001135440209 1377098493 /nfs/dbraw/zinc/09/84/93/1377098493.db2.gz HXSJPPVASTZFIJ-FQEVSTJZSA-N 2 1 345.531 3.282 20 0 EGADMP COc1ccccc1OCC1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254529573 1377107282 /nfs/dbraw/zinc/10/72/82/1377107282.db2.gz NXRFBTIBAMGYNO-SFHVURJKSA-N 2 1 332.488 3.270 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135481798 1377114057 /nfs/dbraw/zinc/11/40/57/1377114057.db2.gz XQOWVCZOIAQMQK-DLBZAZTESA-N 2 1 339.568 3.418 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCCCC1 ZINC001135679976 1377181966 /nfs/dbraw/zinc/18/19/66/1377181966.db2.gz PWUNZVRWMWOGHY-IRXDYDNUSA-N 2 1 348.535 3.425 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001135680555 1377182805 /nfs/dbraw/zinc/18/28/05/1377182805.db2.gz XKRAICLGNJRLSM-HOTGVXAUSA-N 2 1 348.535 3.281 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001266182445 1377218918 /nfs/dbraw/zinc/21/89/18/1377218918.db2.gz IECMFKINYRGSSW-KXBFYZLASA-N 2 1 349.494 3.029 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1sccc1Cl ZINC001135858099 1377236793 /nfs/dbraw/zinc/23/67/93/1377236793.db2.gz SKQRDRAOGCDZTD-CHWSQXEVSA-N 2 1 345.940 3.116 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135861711 1377238672 /nfs/dbraw/zinc/23/86/72/1377238672.db2.gz VYOTUZBCHYUCNX-IAGOWNOFSA-N 2 1 345.531 3.279 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135861713 1377238782 /nfs/dbraw/zinc/23/87/82/1377238782.db2.gz VYOTUZBCHYUCNX-SJORKVTESA-N 2 1 345.531 3.279 20 0 EGADMP C[NH+](CC(=O)NCC[N@H+](C)CCC1CCCCCC1)CC(C)(C)C ZINC001266326779 1377273906 /nfs/dbraw/zinc/27/39/06/1377273906.db2.gz LGUVJZFNEUYGGI-UHFFFAOYSA-N 2 1 339.568 3.373 20 0 EGADMP C[NH+](CCNC(=O)C[N@H+](C)CC(C)(C)C)CCC1CCCCCC1 ZINC001266326779 1377273907 /nfs/dbraw/zinc/27/39/07/1377273907.db2.gz LGUVJZFNEUYGGI-UHFFFAOYSA-N 2 1 339.568 3.373 20 0 EGADMP C[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)CCC1CCCCCC1 ZINC001266326779 1377273909 /nfs/dbraw/zinc/27/39/09/1377273909.db2.gz LGUVJZFNEUYGGI-UHFFFAOYSA-N 2 1 339.568 3.373 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001135975693 1377283940 /nfs/dbraw/zinc/28/39/40/1377283940.db2.gz ARUSXAAYVMPFOV-LSDHHAIUSA-N 2 1 339.911 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001135975966 1377284601 /nfs/dbraw/zinc/28/46/01/1377284601.db2.gz FTSLZVCDDVODKR-QWHCGFSZSA-N 2 1 345.940 3.116 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001135979629 1377285191 /nfs/dbraw/zinc/28/51/91/1377285191.db2.gz HYMSBYCJDKRUQY-DLBZAZTESA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135991499 1377289583 /nfs/dbraw/zinc/28/95/83/1377289583.db2.gz FBMRNCGOXJPGMT-RTBURBONSA-N 2 1 347.547 3.408 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C ZINC001135995583 1377292212 /nfs/dbraw/zinc/29/22/12/1377292212.db2.gz IDBXBALQVLERBM-QZTJIDSGSA-N 2 1 333.520 3.100 20 0 EGADMP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001136536109 1377403471 /nfs/dbraw/zinc/40/34/71/1377403471.db2.gz RHWMKNSZFQLUHY-WOJBJXKFSA-N 2 1 345.531 3.230 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267683588 1377466384 /nfs/dbraw/zinc/46/63/84/1377466384.db2.gz LKDMAQJMNJNUQX-SFHVURJKSA-N 2 1 339.568 3.181 20 0 EGADMP CCC(CC)C[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001267683588 1377466389 /nfs/dbraw/zinc/46/63/89/1377466389.db2.gz LKDMAQJMNJNUQX-SFHVURJKSA-N 2 1 339.568 3.181 20 0 EGADMP CCC(CC)C[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267683588 1377466391 /nfs/dbraw/zinc/46/63/91/1377466391.db2.gz LKDMAQJMNJNUQX-SFHVURJKSA-N 2 1 339.568 3.181 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccccc2-n2cccn2)CC1 ZINC001137096765 1377477790 /nfs/dbraw/zinc/47/77/90/1377477790.db2.gz XPZRLIWHKLKMQJ-UHFFFAOYSA-N 2 1 347.466 3.315 20 0 EGADMP C[C@H](C[N@@H+](C)CC1CC(C)C1)NC(=O)CC[NH+](C)C1CCCCC1 ZINC001268741444 1377524138 /nfs/dbraw/zinc/52/41/38/1377524138.db2.gz ZTJIRHUESGJSJU-LXPRWKDFSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](C[NH+](C)CC1CC(C)C1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001268741444 1377524142 /nfs/dbraw/zinc/52/41/42/1377524142.db2.gz ZTJIRHUESGJSJU-LXPRWKDFSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](C[NH+](C)CC1CC(C)C1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001268741444 1377524145 /nfs/dbraw/zinc/52/41/45/1377524145.db2.gz ZTJIRHUESGJSJU-LXPRWKDFSA-N 2 1 337.552 3.124 20 0 EGADMP c1nc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cs1 ZINC001137594754 1377570235 /nfs/dbraw/zinc/57/02/35/1377570235.db2.gz PGPCBHKIWUQWCL-UHFFFAOYSA-N 2 1 328.485 3.026 20 0 EGADMP c1nc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cs1 ZINC001137594754 1377570237 /nfs/dbraw/zinc/57/02/37/1377570237.db2.gz PGPCBHKIWUQWCL-UHFFFAOYSA-N 2 1 328.485 3.026 20 0 EGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccncc2Br)CC1 ZINC001137693578 1377595072 /nfs/dbraw/zinc/59/50/72/1377595072.db2.gz LICSUWLOILJGIS-UHFFFAOYSA-N 2 1 340.309 3.396 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccncc2Br)CC1 ZINC001137693578 1377595075 /nfs/dbraw/zinc/59/50/75/1377595075.db2.gz LICSUWLOILJGIS-UHFFFAOYSA-N 2 1 340.309 3.396 20 0 EGADMP Cc1cccc(C)c1C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001137849067 1377630255 /nfs/dbraw/zinc/63/02/55/1377630255.db2.gz CAGXTJZGHXZHNQ-IFMALSPDSA-N 2 1 342.527 3.484 20 0 EGADMP Cc1cccc(C)c1C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001137849067 1377630259 /nfs/dbraw/zinc/63/02/59/1377630259.db2.gz CAGXTJZGHXZHNQ-IFMALSPDSA-N 2 1 342.527 3.484 20 0 EGADMP Cc1cccc(C)c1C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001137849067 1377630264 /nfs/dbraw/zinc/63/02/64/1377630264.db2.gz CAGXTJZGHXZHNQ-IFMALSPDSA-N 2 1 342.527 3.484 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CC1CCCCCC1 ZINC001272178960 1377660026 /nfs/dbraw/zinc/66/00/26/1377660026.db2.gz UPBHKJQKOFIWFH-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)CC1CCCCCC1 ZINC001272178960 1377660030 /nfs/dbraw/zinc/66/00/30/1377660030.db2.gz UPBHKJQKOFIWFH-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CC1CCCCCC1 ZINC001272178960 1377660033 /nfs/dbraw/zinc/66/00/33/1377660033.db2.gz UPBHKJQKOFIWFH-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC(=O)Oc1cccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001138042967 1377670360 /nfs/dbraw/zinc/67/03/60/1377670360.db2.gz JBOZONKPOAMHTB-IBGZPJMESA-N 2 1 330.472 3.452 20 0 EGADMP CC(=O)Oc1cccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001138042967 1377670361 /nfs/dbraw/zinc/67/03/61/1377670361.db2.gz JBOZONKPOAMHTB-IBGZPJMESA-N 2 1 330.472 3.452 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccc5nccnc45)C[C@@H]3C2)cc1 ZINC001138304336 1377699254 /nfs/dbraw/zinc/69/92/54/1377699254.db2.gz KMUJOASANADZIM-BGYRXZFFSA-N 2 1 344.462 3.194 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccc5nccnc45)C[C@@H]3C2)cc1 ZINC001138304336 1377699255 /nfs/dbraw/zinc/69/92/55/1377699255.db2.gz KMUJOASANADZIM-BGYRXZFFSA-N 2 1 344.462 3.194 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccc5nccnc45)C[C@@H]3C2)cc1 ZINC001138304336 1377699257 /nfs/dbraw/zinc/69/92/57/1377699257.db2.gz KMUJOASANADZIM-BGYRXZFFSA-N 2 1 344.462 3.194 20 0 EGADMP CC[N@@H+](Cc1c(C)nn(Cc2ccccc2)c1C)C1CCN(C)CC1 ZINC001138506600 1377735210 /nfs/dbraw/zinc/73/52/10/1377735210.db2.gz UYVXOAFGMFVLFH-UHFFFAOYSA-N 2 1 340.515 3.464 20 0 EGADMP CCN(Cc1c(C)nn(Cc2ccccc2)c1C)C1CC[NH+](C)CC1 ZINC001138506600 1377735213 /nfs/dbraw/zinc/73/52/13/1377735213.db2.gz UYVXOAFGMFVLFH-UHFFFAOYSA-N 2 1 340.515 3.464 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC3(C[C@@H]3CCO)CC2)cc1 ZINC001138545117 1377739792 /nfs/dbraw/zinc/73/97/92/1377739792.db2.gz RUJZADOKHULEEY-SFHVURJKSA-N 2 1 325.456 3.165 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCc3cc(CO)ccc3C2)cc1 ZINC001138545426 1377739902 /nfs/dbraw/zinc/73/99/02/1377739902.db2.gz XFXNIZKMGYOYPD-UHFFFAOYSA-N 2 1 333.435 3.231 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCc3cc(CO)ccc3C2)cc1 ZINC001138545426 1377739904 /nfs/dbraw/zinc/73/99/04/1377739904.db2.gz XFXNIZKMGYOYPD-UHFFFAOYSA-N 2 1 333.435 3.231 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC3(C[C@H]3CCO)CC2)cc1 ZINC001138545116 1377739970 /nfs/dbraw/zinc/73/99/70/1377739970.db2.gz RUJZADOKHULEEY-GOSISDBHSA-N 2 1 325.456 3.165 20 0 EGADMP CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)[C@@H]1C ZINC001138548801 1377740768 /nfs/dbraw/zinc/74/07/68/1377740768.db2.gz MFCRTQDIOJSLHD-BEFAXECRSA-N 2 1 341.455 3.344 20 0 EGADMP CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)[C@@H]1C ZINC001138548801 1377740770 /nfs/dbraw/zinc/74/07/70/1377740770.db2.gz MFCRTQDIOJSLHD-BEFAXECRSA-N 2 1 341.455 3.344 20 0 EGADMP CCCn1cc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139041576 1377821274 /nfs/dbraw/zinc/82/12/74/1377821274.db2.gz LKLNNWWDUSNEDD-LEWJYISDSA-N 2 1 338.499 3.247 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc3cccnc3c2)CC1 ZINC001139168837 1377842859 /nfs/dbraw/zinc/84/28/59/1377842859.db2.gz ZLHUQIJZCMBOPL-HXUWFJFHSA-N 2 1 339.483 3.310 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc5nonc5c4)C[C@H]3C2)cc1 ZINC001139223352 1377856136 /nfs/dbraw/zinc/85/61/36/1377856136.db2.gz KTZIGFGJJMTSLX-OALUTQOASA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc5nonc5c4)C[C@H]3C2)cc1 ZINC001139223352 1377856138 /nfs/dbraw/zinc/85/61/38/1377856138.db2.gz KTZIGFGJJMTSLX-OALUTQOASA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc5nonc5c4)C[C@H]3C2)cc1 ZINC001139223352 1377856140 /nfs/dbraw/zinc/85/61/40/1377856140.db2.gz KTZIGFGJJMTSLX-OALUTQOASA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc5nonc5c4)C[C@H]3C2)cc1 ZINC001139223352 1377856142 /nfs/dbraw/zinc/85/61/42/1377856142.db2.gz KTZIGFGJJMTSLX-OALUTQOASA-N 2 1 348.450 3.177 20 0 EGADMP COc1ccc(OC)c(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1N ZINC001139278210 1377861449 /nfs/dbraw/zinc/86/14/49/1377861449.db2.gz YVRWLYSIFDPICR-HOTGVXAUSA-N 2 1 347.503 3.125 20 0 EGADMP COc1ccc(OC)c(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1N ZINC001139278210 1377861450 /nfs/dbraw/zinc/86/14/50/1377861450.db2.gz YVRWLYSIFDPICR-HOTGVXAUSA-N 2 1 347.503 3.125 20 0 EGADMP COc1ccc(OC)c(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c1N ZINC001139278210 1377861451 /nfs/dbraw/zinc/86/14/51/1377861451.db2.gz YVRWLYSIFDPICR-HOTGVXAUSA-N 2 1 347.503 3.125 20 0 EGADMP COc1ccc(OC)c(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c1N ZINC001139278210 1377861452 /nfs/dbraw/zinc/86/14/52/1377861452.db2.gz YVRWLYSIFDPICR-HOTGVXAUSA-N 2 1 347.503 3.125 20 0 EGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc3cc(O)ccc3c1)CC2 ZINC001139335408 1377869451 /nfs/dbraw/zinc/86/94/51/1377869451.db2.gz NMCFJCPSJGKYGO-UHFFFAOYSA-N 2 1 339.439 3.175 20 0 EGADMP COc1ccc(-c2ncc(CN3CC[C@@]4(CC[N@@H+](C)C4)C3)s2)cc1 ZINC001139794477 1377951285 /nfs/dbraw/zinc/95/12/85/1377951285.db2.gz FQBIAHYFMQYLFQ-LJQANCHMSA-N 2 1 343.496 3.346 20 0 EGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]2C1 ZINC001140414696 1378059721 /nfs/dbraw/zinc/05/97/21/1378059721.db2.gz ZOFBGHVMLVKDKU-CALCHBBNSA-N 2 1 342.874 3.181 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]2C1 ZINC001140414696 1378059722 /nfs/dbraw/zinc/05/97/22/1378059722.db2.gz ZOFBGHVMLVKDKU-CALCHBBNSA-N 2 1 342.874 3.181 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]2C1 ZINC001140414696 1378059725 /nfs/dbraw/zinc/05/97/25/1378059725.db2.gz ZOFBGHVMLVKDKU-CALCHBBNSA-N 2 1 342.874 3.181 20 0 EGADMP Cc1cc(F)ccc1CN1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001140779579 1378134067 /nfs/dbraw/zinc/13/40/67/1378134067.db2.gz RCRKZLPRAQVVTL-RTBURBONSA-N 2 1 325.431 3.093 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[N@@H+](C)CCCC2CCCC2)CC1 ZINC001275135893 1378134494 /nfs/dbraw/zinc/13/44/94/1378134494.db2.gz OYDLNYFGBHHHKM-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ncsc1C[N@H+]1CCCC2(CC[NH+](Cc3cnoc3)CC2)C1 ZINC001276253874 1378170185 /nfs/dbraw/zinc/17/01/85/1378170185.db2.gz OBJFCSILVKAALW-UHFFFAOYSA-N 2 1 346.500 3.318 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001140968799 1378196147 /nfs/dbraw/zinc/19/61/47/1378196147.db2.gz QVQRAQCAQIUTOZ-HXUWFJFHSA-N 2 1 335.495 3.428 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@H]2CC[NH+](CC3CCC3)C2)CC1 ZINC001277286463 1378216156 /nfs/dbraw/zinc/21/61/56/1378216156.db2.gz ZXEDPUKKOAGFRE-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001277286463 1378216162 /nfs/dbraw/zinc/21/61/62/1378216162.db2.gz ZXEDPUKKOAGFRE-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001277286463 1378216167 /nfs/dbraw/zinc/21/61/67/1378216167.db2.gz ZXEDPUKKOAGFRE-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP c1c[nH]c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccc5n4CCC5)C[C@H]3CC2)c1 ZINC001277330508 1378217585 /nfs/dbraw/zinc/21/75/85/1378217585.db2.gz UCVRWLTWNSERAQ-HDICACEKSA-N 2 1 338.499 3.106 20 0 EGADMP c1c[nH]c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccc5n4CCC5)C[C@H]3CC2)c1 ZINC001277330508 1378217590 /nfs/dbraw/zinc/21/75/90/1378217590.db2.gz UCVRWLTWNSERAQ-HDICACEKSA-N 2 1 338.499 3.106 20 0 EGADMP c1c[nH]c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccc5n4CCC5)C[C@H]3CC2)c1 ZINC001277330508 1378217592 /nfs/dbraw/zinc/21/75/92/1378217592.db2.gz UCVRWLTWNSERAQ-HDICACEKSA-N 2 1 338.499 3.106 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001277423902 1378221954 /nfs/dbraw/zinc/22/19/54/1378221954.db2.gz XBIVQYZUJKSFGP-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CC[N@H+]2CC1(C)CCCCC1 ZINC001277620203 1378239665 /nfs/dbraw/zinc/23/96/65/1378239665.db2.gz FAKBIPSIKOVJDO-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2C[NH+](Cc3nncn3C)C[C@H]2CC1 ZINC001277623842 1378240892 /nfs/dbraw/zinc/24/08/92/1378240892.db2.gz NLISLTQIEDILFD-QRVBRYPASA-N 2 1 347.551 3.175 20 0 EGADMP CCCC[C@@H](CC)C[NH+]1CC[C@H]2C[N@@H+](Cc3nncn3C)C[C@H]2CC1 ZINC001277623842 1378240895 /nfs/dbraw/zinc/24/08/95/1378240895.db2.gz NLISLTQIEDILFD-QRVBRYPASA-N 2 1 347.551 3.175 20 0 EGADMP CCCC[C@@H](CC)C[NH+]1CC[C@H]2C[N@H+](Cc3nncn3C)C[C@H]2CC1 ZINC001277623842 1378240898 /nfs/dbraw/zinc/24/08/98/1378240898.db2.gz NLISLTQIEDILFD-QRVBRYPASA-N 2 1 347.551 3.175 20 0 EGADMP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1C[N@@H+](CCCC1CCCC1)C2 ZINC001278021892 1378254913 /nfs/dbraw/zinc/25/49/13/1378254913.db2.gz LPOGCASXHDXBEZ-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1cccc(-n2ccnc2)c1 ZINC001141243554 1378281062 /nfs/dbraw/zinc/28/10/62/1378281062.db2.gz MNQJAEUBEBBCLZ-FQEVSTJZSA-N 2 1 346.434 3.475 20 0 EGADMP CC1(C)CCC[N@H+]1CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001142070484 1378410414 /nfs/dbraw/zinc/41/04/14/1378410414.db2.gz QKIJQZYLBLOBAP-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@H+]1CC[C@@]2(CCN(Cc3cc(F)cc(OC(F)(F)F)c3)C2)C1 ZINC001143263112 1378572117 /nfs/dbraw/zinc/57/21/17/1378572117.db2.gz VFWIMHSYHGWWFN-OAHLLOKOSA-N 2 1 332.341 3.252 20 0 EGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)cc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001143472626 1378601191 /nfs/dbraw/zinc/60/11/91/1378601191.db2.gz RYCUZGLZVZHHMO-GASCZTMLSA-N 2 1 328.378 3.277 20 0 EGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)cc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001143472626 1378601194 /nfs/dbraw/zinc/60/11/94/1378601194.db2.gz RYCUZGLZVZHHMO-GASCZTMLSA-N 2 1 328.378 3.277 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)cc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001143472626 1378601196 /nfs/dbraw/zinc/60/11/96/1378601196.db2.gz RYCUZGLZVZHHMO-GASCZTMLSA-N 2 1 328.378 3.277 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)cc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001143472626 1378601198 /nfs/dbraw/zinc/60/11/98/1378601198.db2.gz RYCUZGLZVZHHMO-GASCZTMLSA-N 2 1 328.378 3.277 20 0 EGADMP COc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(C(F)(F)F)c1 ZINC001143476724 1378602128 /nfs/dbraw/zinc/60/21/28/1378602128.db2.gz UTTCCFUASDPQFH-OCCSQVGLSA-N 2 1 328.378 3.098 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(C(F)(F)F)c1 ZINC001143476724 1378602137 /nfs/dbraw/zinc/60/21/37/1378602137.db2.gz UTTCCFUASDPQFH-OCCSQVGLSA-N 2 1 328.378 3.098 20 0 EGADMP COc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(C(F)(F)F)c1 ZINC001143476724 1378602142 /nfs/dbraw/zinc/60/21/42/1378602142.db2.gz UTTCCFUASDPQFH-OCCSQVGLSA-N 2 1 328.378 3.098 20 0 EGADMP COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(C(F)(F)F)c1 ZINC001143476724 1378602146 /nfs/dbraw/zinc/60/21/46/1378602146.db2.gz UTTCCFUASDPQFH-OCCSQVGLSA-N 2 1 328.378 3.098 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4[nH+]cn5ccccc45)C[C@H]3C2)cc1 ZINC001144618421 1378751278 /nfs/dbraw/zinc/75/12/78/1378751278.db2.gz QXDYPKQRPVHCTA-BGYRXZFFSA-N 2 1 346.478 3.207 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4[nH+]cn5ccccc45)C[C@H]3C2)cc1 ZINC001144618421 1378751279 /nfs/dbraw/zinc/75/12/79/1378751279.db2.gz QXDYPKQRPVHCTA-BGYRXZFFSA-N 2 1 346.478 3.207 20 0 EGADMP C[NH+](CC1CCC1)C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001283319533 1378803794 /nfs/dbraw/zinc/80/37/94/1378803794.db2.gz MJCAHCYKDGHDEG-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC(=O)N1CCC([N@H+](C)CC2CCC2)CC1)C1CCCCC1 ZINC001283319533 1378803797 /nfs/dbraw/zinc/80/37/97/1378803797.db2.gz MJCAHCYKDGHDEG-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC(=O)N1CCC([N@@H+](C)CC2CCC2)CC1)C1CCCCC1 ZINC001283319533 1378803801 /nfs/dbraw/zinc/80/38/01/1378803801.db2.gz MJCAHCYKDGHDEG-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001146591925 1378873890 /nfs/dbraw/zinc/87/38/90/1378873890.db2.gz IJABXWKGKUPWCR-QWHCGFSZSA-N 2 1 345.940 3.115 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCCC(C)(C)C ZINC001147359720 1379009485 /nfs/dbraw/zinc/00/94/85/1379009485.db2.gz UOKLEVSCILUACL-QGZVFWFLSA-N 2 1 325.541 3.173 20 0 EGADMP CC/C=C\CC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001147552620 1379041380 /nfs/dbraw/zinc/04/13/80/1379041380.db2.gz MSYKWXCTHQNESU-WAYWQWQTSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC2(C1)CC[N@@H+](CC1CCC1)C2 ZINC001148591775 1379219146 /nfs/dbraw/zinc/21/91/46/1379219146.db2.gz XDYGDJMSJGAACG-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001148812930 1379274301 /nfs/dbraw/zinc/27/43/01/1379274301.db2.gz ZGNNGNICXIQLDZ-PWBPZBFBSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CCC[N@H+]1Cc1ccccc1 ZINC001284130827 1379511586 /nfs/dbraw/zinc/51/15/86/1379511586.db2.gz IQWNIMQNAAUNAS-HKUYNNGSSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CCC[NH+]1Cc1ccccc1 ZINC001284130827 1379511589 /nfs/dbraw/zinc/51/15/89/1379511589.db2.gz IQWNIMQNAAUNAS-HKUYNNGSSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CCC[NH+]1Cc1ccccc1 ZINC001284130827 1379511591 /nfs/dbraw/zinc/51/15/91/1379511591.db2.gz IQWNIMQNAAUNAS-HKUYNNGSSA-N 2 1 345.531 3.134 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c1 ZINC001284133060 1379517956 /nfs/dbraw/zinc/51/79/56/1379517956.db2.gz UBGMBWPIDYVONA-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccccc2C(C)C)[C@@H](C)C1 ZINC001327925915 1388625720 /nfs/dbraw/zinc/62/57/20/1388625720.db2.gz PZNADZMKJZOIGP-PXNSSMCTSA-N 2 1 345.531 3.088 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCCCCC1)C(C)(C)C ZINC001284612990 1380012469 /nfs/dbraw/zinc/01/24/69/1380012469.db2.gz AIVZHVSBHWERSY-QZTJIDSGSA-N 2 1 337.552 3.172 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001153361939 1380064132 /nfs/dbraw/zinc/06/41/32/1380064132.db2.gz IGDPIMXQSRLCEY-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153361939 1380064135 /nfs/dbraw/zinc/06/41/35/1380064135.db2.gz IGDPIMXQSRLCEY-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153361939 1380064137 /nfs/dbraw/zinc/06/41/37/1380064137.db2.gz IGDPIMXQSRLCEY-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCc1ccccc1C[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153850798 1380143783 /nfs/dbraw/zinc/14/37/83/1380143783.db2.gz CIEOQMPPESJPQZ-QGZVFWFLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153850798 1380143786 /nfs/dbraw/zinc/14/37/86/1380143786.db2.gz CIEOQMPPESJPQZ-QGZVFWFLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153850798 1380143789 /nfs/dbraw/zinc/14/37/89/1380143789.db2.gz CIEOQMPPESJPQZ-QGZVFWFLSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153879243 1380148431 /nfs/dbraw/zinc/14/84/31/1380148431.db2.gz BKTGVQKDLLWXLN-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153879243 1380148432 /nfs/dbraw/zinc/14/84/32/1380148432.db2.gz BKTGVQKDLLWXLN-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153879243 1380148433 /nfs/dbraw/zinc/14/84/33/1380148433.db2.gz BKTGVQKDLLWXLN-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C(C)C)cc1)[NH+](C)C ZINC001153997930 1380174528 /nfs/dbraw/zinc/17/45/28/1380174528.db2.gz FLNLYQLLTUYWTP-YLJYHZDGSA-N 2 1 347.547 3.477 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CCCC1CCC1 ZINC001154070293 1380198051 /nfs/dbraw/zinc/19/80/51/1380198051.db2.gz XSOGKMFAGGTGRC-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCCC1CCC1)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154070293 1380198060 /nfs/dbraw/zinc/19/80/60/1380198060.db2.gz XSOGKMFAGGTGRC-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCCC1CCC1)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154070293 1380198061 /nfs/dbraw/zinc/19/80/61/1380198061.db2.gz XSOGKMFAGGTGRC-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001154082984 1380202150 /nfs/dbraw/zinc/20/21/50/1380202150.db2.gz CRVXPDNDJWLOBJ-GOSISDBHSA-N 2 1 348.535 3.171 20 0 EGADMP CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154579828 1380309051 /nfs/dbraw/zinc/30/90/51/1380309051.db2.gz GVFLMJUKZQNAJJ-MRXNPFEDSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCCC(C)C)C1 ZINC001154785048 1380350586 /nfs/dbraw/zinc/35/05/86/1380350586.db2.gz XJBSHJWNOUWLFC-RTBURBONSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCC(C)C)C1 ZINC001154785048 1380350587 /nfs/dbraw/zinc/35/05/87/1380350587.db2.gz XJBSHJWNOUWLFC-RTBURBONSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCC(C)C)C1 ZINC001154785048 1380350589 /nfs/dbraw/zinc/35/05/89/1380350589.db2.gz XJBSHJWNOUWLFC-RTBURBONSA-N 2 1 339.568 3.371 20 0 EGADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001155023999 1380393400 /nfs/dbraw/zinc/39/34/00/1380393400.db2.gz GLBZWDHNNMLEQD-CABCVRRESA-N 2 1 336.911 3.378 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155225895 1380426476 /nfs/dbraw/zinc/42/64/76/1380426476.db2.gz BWDPMKTYXROSBJ-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155225895 1380426477 /nfs/dbraw/zinc/42/64/77/1380426477.db2.gz BWDPMKTYXROSBJ-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155225895 1380426478 /nfs/dbraw/zinc/42/64/78/1380426478.db2.gz BWDPMKTYXROSBJ-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263925 1380430088 /nfs/dbraw/zinc/43/00/88/1380430088.db2.gz YMKUQEMNFBNKIU-MRXNPFEDSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001155263925 1380430089 /nfs/dbraw/zinc/43/00/89/1380430089.db2.gz YMKUQEMNFBNKIU-MRXNPFEDSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001155263925 1380430090 /nfs/dbraw/zinc/43/00/90/1380430090.db2.gz YMKUQEMNFBNKIU-MRXNPFEDSA-N 2 1 339.568 3.227 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C(C)C)cc1)[NH+](C)C ZINC001155288897 1380433638 /nfs/dbraw/zinc/43/36/38/1380433638.db2.gz FLNLYQLLTUYWTP-XLIONFOSSA-N 2 1 347.547 3.477 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001155611534 1380473501 /nfs/dbraw/zinc/47/35/01/1380473501.db2.gz IDUIHKPMCBPRPE-YMHTTXFNSA-N 2 1 337.552 3.434 20 0 EGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001156341975 1380561496 /nfs/dbraw/zinc/56/14/96/1380561496.db2.gz PSIVQRAUXAIQCF-NQIIRXRSSA-N 2 1 345.531 3.256 20 0 EGADMP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374547 1380567066 /nfs/dbraw/zinc/56/70/66/1380567066.db2.gz RZNNWOVGBDZGHP-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156374547 1380567067 /nfs/dbraw/zinc/56/70/67/1380567067.db2.gz RZNNWOVGBDZGHP-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156374547 1380567070 /nfs/dbraw/zinc/56/70/70/1380567070.db2.gz RZNNWOVGBDZGHP-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)nc1 ZINC001156401679 1380571716 /nfs/dbraw/zinc/57/17/16/1380571716.db2.gz JECVONOLXJHRCB-QWFCFKBJSA-N 2 1 328.504 3.016 20 0 EGADMP CC[N@@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409061 1380572882 /nfs/dbraw/zinc/57/28/82/1380572882.db2.gz ATNJFLADJRXMKW-QGZVFWFLSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](Cc1ccccc1C)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156467067 1380579723 /nfs/dbraw/zinc/57/97/23/1380579723.db2.gz YLOTZBFKBZNQPR-GOSISDBHSA-N 2 1 333.520 3.054 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1C ZINC001156517363 1380587095 /nfs/dbraw/zinc/58/70/95/1380587095.db2.gz WDTQWEFCWMLNRS-GOSISDBHSA-N 2 1 333.520 3.054 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1C ZINC001156517363 1380587098 /nfs/dbraw/zinc/58/70/98/1380587098.db2.gz WDTQWEFCWMLNRS-GOSISDBHSA-N 2 1 333.520 3.054 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1C ZINC001156517363 1380587100 /nfs/dbraw/zinc/58/71/00/1380587100.db2.gz WDTQWEFCWMLNRS-GOSISDBHSA-N 2 1 333.520 3.054 20 0 EGADMP CCCc1ccc(C[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)CCC)cc1 ZINC001156530628 1380589175 /nfs/dbraw/zinc/58/91/75/1380589175.db2.gz RSGGQXDLMMBNIG-GOSISDBHSA-N 2 1 347.547 3.308 20 0 EGADMP CCCc1ccc(C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCC)cc1 ZINC001156530628 1380589177 /nfs/dbraw/zinc/58/91/77/1380589177.db2.gz RSGGQXDLMMBNIG-GOSISDBHSA-N 2 1 347.547 3.308 20 0 EGADMP CCCc1ccc(C[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCC)cc1 ZINC001156530628 1380589180 /nfs/dbraw/zinc/58/91/80/1380589180.db2.gz RSGGQXDLMMBNIG-GOSISDBHSA-N 2 1 347.547 3.308 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCNc1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001156925289 1380730298 /nfs/dbraw/zinc/73/02/98/1380730298.db2.gz HBNGWFOVNKGBQN-KRWDZBQOSA-N 3 1 346.519 3.231 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCCNc1cc(OC2CC[NH+](C)CC2)ccn1 ZINC001156925289 1380730300 /nfs/dbraw/zinc/73/03/00/1380730300.db2.gz HBNGWFOVNKGBQN-KRWDZBQOSA-N 2 1 346.519 3.231 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCNc1cc(OC2CC[NH+](C)CC2)ccn1 ZINC001156925289 1380730304 /nfs/dbraw/zinc/73/03/04/1380730304.db2.gz HBNGWFOVNKGBQN-KRWDZBQOSA-N 2 1 346.519 3.231 20 0 EGADMP CC[N@@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927223 1380730909 /nfs/dbraw/zinc/73/09/09/1380730909.db2.gz HBOVUEXMXAYXJA-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001157109063 1380777629 /nfs/dbraw/zinc/77/76/29/1380777629.db2.gz IDGCDVCFWGSAIQ-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157114402 1380779995 /nfs/dbraw/zinc/77/99/95/1380779995.db2.gz XKELHSNNVCHJRN-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157114402 1380780002 /nfs/dbraw/zinc/78/00/02/1380780002.db2.gz XKELHSNNVCHJRN-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157114402 1380780008 /nfs/dbraw/zinc/78/00/08/1380780008.db2.gz XKELHSNNVCHJRN-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157119425 1380781092 /nfs/dbraw/zinc/78/10/92/1380781092.db2.gz YROQZDJOYDMXCM-MSOLQXFVSA-N 2 1 339.568 3.370 20 0 EGADMP C[N@@H+]1CCC[C@@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@@H]21 ZINC001157269617 1380829654 /nfs/dbraw/zinc/82/96/54/1380829654.db2.gz BNVCLASPSBLMMI-MJGOQNOKSA-N 2 1 336.483 3.365 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@@H]21 ZINC001157269617 1380829659 /nfs/dbraw/zinc/82/96/59/1380829659.db2.gz BNVCLASPSBLMMI-MJGOQNOKSA-N 2 1 336.483 3.365 20 0 EGADMP CCC[N@H+]1C[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]2C1 ZINC001157693424 1381004342 /nfs/dbraw/zinc/00/43/42/1381004342.db2.gz ZGLWFKKCQBDNGH-CALCHBBNSA-N 2 1 348.922 3.109 20 0 EGADMP CCC[N@@H+]1C[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]2C1 ZINC001157693424 1381004348 /nfs/dbraw/zinc/00/43/48/1381004348.db2.gz ZGLWFKKCQBDNGH-CALCHBBNSA-N 2 1 348.922 3.109 20 0 EGADMP CCC[NH+]1C[C@@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)C[C@H]2C1 ZINC001157693464 1381004502 /nfs/dbraw/zinc/00/45/02/1381004502.db2.gz ZUSJSDWKBJHECH-HZPDHXFCSA-N 2 1 339.487 3.324 20 0 EGADMP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157701644 1381008529 /nfs/dbraw/zinc/00/85/29/1381008529.db2.gz GVUBZIBWWHPCJF-LXORQPIJSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001157701644 1381008534 /nfs/dbraw/zinc/00/85/34/1381008534.db2.gz GVUBZIBWWHPCJF-LXORQPIJSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001157701644 1381008537 /nfs/dbraw/zinc/00/85/37/1381008537.db2.gz GVUBZIBWWHPCJF-LXORQPIJSA-N 2 1 335.536 3.140 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157978120 1381091483 /nfs/dbraw/zinc/09/14/83/1381091483.db2.gz MRKHJPVXQZPJKJ-BHIYHBOVSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001157978120 1381091486 /nfs/dbraw/zinc/09/14/86/1381091486.db2.gz MRKHJPVXQZPJKJ-BHIYHBOVSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001157978120 1381091490 /nfs/dbraw/zinc/09/14/90/1381091490.db2.gz MRKHJPVXQZPJKJ-BHIYHBOVSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)nc1 ZINC001157987733 1381094549 /nfs/dbraw/zinc/09/45/49/1381094549.db2.gz PYNJGNGDXKCHGV-MJGOQNOKSA-N 2 1 339.487 3.020 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001158061552 1381116435 /nfs/dbraw/zinc/11/64/35/1381116435.db2.gz NTFXVIMDCRQFRZ-RTBURBONSA-N 2 1 337.552 3.362 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001158061552 1381116440 /nfs/dbraw/zinc/11/64/40/1381116440.db2.gz NTFXVIMDCRQFRZ-RTBURBONSA-N 2 1 337.552 3.362 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001158061552 1381116443 /nfs/dbraw/zinc/11/64/43/1381116443.db2.gz NTFXVIMDCRQFRZ-RTBURBONSA-N 2 1 337.552 3.362 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001158067214 1381118940 /nfs/dbraw/zinc/11/89/40/1381118940.db2.gz XMEIFZRKMHNTCU-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001158067214 1381118944 /nfs/dbraw/zinc/11/89/44/1381118944.db2.gz XMEIFZRKMHNTCU-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001158067214 1381118946 /nfs/dbraw/zinc/11/89/46/1381118946.db2.gz XMEIFZRKMHNTCU-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3nc(Cl)cc4cc(F)ccc43)CC2)C1 ZINC001158257439 1381175838 /nfs/dbraw/zinc/17/58/38/1381175838.db2.gz FEEPQCNLIXXWSN-CQSZACIVSA-N 2 1 348.853 3.029 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](C2CCN(c3nc(Cl)cc4cc(F)ccc43)CC2)C1 ZINC001158257439 1381175840 /nfs/dbraw/zinc/17/58/40/1381175840.db2.gz FEEPQCNLIXXWSN-CQSZACIVSA-N 2 1 348.853 3.029 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC=C(C)C)[NH+](CC)CC ZINC001158490999 1381266007 /nfs/dbraw/zinc/26/60/07/1381266007.db2.gz CHODOKXZNLQYAY-RTBURBONSA-N 2 1 337.552 3.386 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001328285079 1388714993 /nfs/dbraw/zinc/71/49/93/1388714993.db2.gz QLMVCTXPJSPDEY-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158749822 1381381342 /nfs/dbraw/zinc/38/13/42/1381381342.db2.gz APOFRFXTLAUEFF-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001158749822 1381381351 /nfs/dbraw/zinc/38/13/51/1381381351.db2.gz APOFRFXTLAUEFF-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001158749822 1381381358 /nfs/dbraw/zinc/38/13/58/1381381358.db2.gz APOFRFXTLAUEFF-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[C@H]([NH2+]C)C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158977221 1381495205 /nfs/dbraw/zinc/49/52/05/1381495205.db2.gz SQWSWTAHHOZJPQ-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[NH2+]C3)CC2)nc1 ZINC001159050137 1381541534 /nfs/dbraw/zinc/54/15/34/1381541534.db2.gz SQYTWXKUZANTJG-SFHVURJKSA-N 2 1 328.504 3.208 20 0 EGADMP C[C@@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC001328413407 1388740338 /nfs/dbraw/zinc/74/03/38/1388740338.db2.gz NGWSUALKKXNOFC-IRXDYDNUSA-N 2 1 333.520 3.210 20 0 EGADMP FC(F)(F)c1c[nH+]ccc1Nc1ccc(OC2CC[NH2+]CC2)cc1 ZINC001159629307 1381853047 /nfs/dbraw/zinc/85/30/47/1381853047.db2.gz DUYMMIMNXQWJMN-UHFFFAOYSA-N 2 1 337.345 3.397 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001159839353 1381916824 /nfs/dbraw/zinc/91/68/24/1381916824.db2.gz YYTIWUYDGUYQRH-LJQANCHMSA-N 2 1 349.563 3.031 20 0 EGADMP CCC/C=C\CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159908252 1381934142 /nfs/dbraw/zinc/93/41/42/1381934142.db2.gz HSTWBEAKAOIPEU-PHWHVTFISA-N 2 1 335.536 3.236 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160126041 1382005918 /nfs/dbraw/zinc/00/59/18/1382005918.db2.gz RVTJWVTXWJODAJ-SFHVURJKSA-N 2 1 349.563 3.435 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC001160369191 1382084621 /nfs/dbraw/zinc/08/46/21/1382084621.db2.gz UMRXOWGULMUGKI-HDICACEKSA-N 2 1 335.536 3.116 20 0 EGADMP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001290680867 1382103662 /nfs/dbraw/zinc/10/36/62/1382103662.db2.gz JURHFWPUDOTMPS-KSZLIROESA-N 2 1 325.541 3.074 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)N1CCC(C[NH2+]C)CC1)c1ccccc1 ZINC001160458689 1382109632 /nfs/dbraw/zinc/10/96/32/1382109632.db2.gz ATXQJDIKWGYGGF-FQEVSTJZSA-N 2 1 345.531 3.308 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160499487 1382124212 /nfs/dbraw/zinc/12/42/12/1382124212.db2.gz DXYVLXXIUXZHBB-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001160499487 1382124214 /nfs/dbraw/zinc/12/42/14/1382124214.db2.gz DXYVLXXIUXZHBB-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001160499487 1382124220 /nfs/dbraw/zinc/12/42/20/1382124220.db2.gz DXYVLXXIUXZHBB-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001160580553 1382147369 /nfs/dbraw/zinc/14/73/69/1382147369.db2.gz QHKBREJGBJQBMB-UHFFFAOYSA-N 2 1 340.471 3.195 20 0 EGADMP C[NH+](C)CC1(C(=O)NCCC2=CC[N@@H+](CC3CC3)CC2)CCCCC1 ZINC001160787372 1382196337 /nfs/dbraw/zinc/19/63/37/1382196337.db2.gz LRWWJDGVLCECKU-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP O=C(NCCC[NH2+]CC1CCC2(CC2)CC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160870273 1382220253 /nfs/dbraw/zinc/22/02/53/1382220253.db2.gz WVHDZNMQJLEWEX-RTBURBONSA-N 2 1 347.547 3.070 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161133166 1382313038 /nfs/dbraw/zinc/31/30/38/1382313038.db2.gz CQKNFCZJLLBDLA-LJQANCHMSA-N 2 1 337.552 3.147 20 0 EGADMP CCCCC[N@@H+](C)CCC(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161427575 1382406881 /nfs/dbraw/zinc/40/68/81/1382406881.db2.gz CQAVSDREMLOYGO-UHFFFAOYSA-N 2 1 345.531 3.279 20 0 EGADMP CC[NH+](CC)CC(=O)NCCC1=CC[N@@H+](CCCC2CCCC2)CC1 ZINC001161504536 1382424963 /nfs/dbraw/zinc/42/49/63/1382424963.db2.gz PCDDHOBJRPDPSU-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1=CC[NH+](CC2CCCCCC2)CC1 ZINC001161755450 1382495567 /nfs/dbraw/zinc/49/55/67/1382495567.db2.gz YGNKDIXRFRSYTM-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001161924621 1382555043 /nfs/dbraw/zinc/55/50/43/1382555043.db2.gz GPOXUCHZTOPQIG-ROUUACIJSA-N 2 1 347.547 3.188 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161931410 1382558730 /nfs/dbraw/zinc/55/87/30/1382558730.db2.gz OOLBBSSJNUXDFY-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161952951 1382569981 /nfs/dbraw/zinc/56/99/81/1382569981.db2.gz MEHRZUKPBHFYCK-PRPIBZDOSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001161952951 1382569983 /nfs/dbraw/zinc/56/99/83/1382569983.db2.gz MEHRZUKPBHFYCK-PRPIBZDOSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001161952951 1382569986 /nfs/dbraw/zinc/56/99/86/1382569986.db2.gz MEHRZUKPBHFYCK-PRPIBZDOSA-N 2 1 347.547 3.356 20 0 EGADMP CC(C)[C@H](C(=O)NCCC1=CC[N@H+](C(C)C)CC1)[NH+]1CCCCC1 ZINC001161953562 1382570022 /nfs/dbraw/zinc/57/00/22/1382570022.db2.gz VKUSDVVBOBRHRZ-LJQANCHMSA-N 2 1 335.536 3.044 20 0 EGADMP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N[C@H]3C[C@@](C)([NH3+])C3)c12 ZINC001162328576 1382730714 /nfs/dbraw/zinc/73/07/14/1382730714.db2.gz GFYSVIMSVRBIMZ-MOBUCQHHSA-N 2 1 335.455 3.388 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](Nc2cc(NC(=O)Nc3ccccc3)cc[nH+]2)C1 ZINC001162390245 1382744978 /nfs/dbraw/zinc/74/49/78/1382744978.db2.gz CYZUCRHNDKWVQJ-HIFRSBDPSA-N 2 1 325.416 3.407 20 0 EGADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1nc(N2CCCC(C)(C)C2)cc[nH+]1 ZINC001162460733 1382763222 /nfs/dbraw/zinc/76/32/22/1382763222.db2.gz JYEFDSZNVJUBDC-CVEARBPZSA-N 2 1 331.508 3.151 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001162605823 1382806431 /nfs/dbraw/zinc/80/64/31/1382806431.db2.gz IQIWSVDIXCTFCA-KRWDZBQOSA-N 2 1 342.487 3.172 20 0 EGADMP CCC(CC)C[NH2+]CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001163274641 1383010419 /nfs/dbraw/zinc/01/04/19/1383010419.db2.gz BBDCCEXMIJHEOP-UHFFFAOYSA-N 2 1 325.541 3.173 20 0 EGADMP COc1ccc(NCC2([NH+](C)C)CC[NH+](C)CC2)cc1C(F)(F)F ZINC001164211757 1383166204 /nfs/dbraw/zinc/16/62/04/1383166204.db2.gz SADONDFIGRFWJS-UHFFFAOYSA-N 2 1 345.409 3.152 20 0 EGADMP O=C(NCCC[NH2+]CC1CCCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164500674 1383193949 /nfs/dbraw/zinc/19/39/49/1383193949.db2.gz AVHAVCKIHXFLJG-FQEVSTJZSA-N 2 1 349.563 3.460 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CCCC3CCCC3)CC2)CC[N@H+]1C ZINC001164582720 1383201834 /nfs/dbraw/zinc/20/18/34/1383201834.db2.gz NYJHLBSCSYRASJ-IEBWSBKVSA-N 2 1 349.563 3.173 20 0 EGADMP CC[N@H+]([C@H]1CCOC1)C1CCN(c2ccc3c([nH+]2)CCCC3)CC1 ZINC001165107035 1383228933 /nfs/dbraw/zinc/22/89/33/1383228933.db2.gz DCBBVZKBTWCEOE-SFHVURJKSA-N 2 1 329.488 3.040 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CCN(c2ccc3c([nH+]2)CCCC3)CC1 ZINC001165107035 1383228940 /nfs/dbraw/zinc/22/89/40/1383228940.db2.gz DCBBVZKBTWCEOE-SFHVURJKSA-N 2 1 329.488 3.040 20 0 EGADMP Cc1cnc(N(C)[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)c(C[NH3+])c1 ZINC001165182050 1383242957 /nfs/dbraw/zinc/24/29/57/1383242957.db2.gz LLBNSTHXXIYLCG-FXAWDEMLSA-N 2 1 338.499 3.196 20 0 EGADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CC[C@]4(C3)CCC[NH2+]C4)c12 ZINC001165238588 1383255146 /nfs/dbraw/zinc/25/51/46/1383255146.db2.gz DWGHDTIIDXMRJM-OAQYLSRUSA-N 2 1 347.466 3.060 20 0 EGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@]3(C2)CCC[NH2+]C3)nc1 ZINC001165244623 1383256649 /nfs/dbraw/zinc/25/66/49/1383256649.db2.gz TZJPBUKNVSKUEP-AZUAARDMSA-N 2 1 328.504 3.208 20 0 EGADMP CC(C)n1ccc2c1nc[nH+]c2N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001165322132 1383272352 /nfs/dbraw/zinc/27/23/52/1383272352.db2.gz GSQKYSLQRAZVRJ-QGZVFWFLSA-N 2 1 327.476 3.371 20 0 EGADMP CCC/C=C\CC[NH2+]CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001166687200 1383460725 /nfs/dbraw/zinc/46/07/25/1383460725.db2.gz IMAUOPJWGHSTIA-QULHZPMSSA-N 2 1 341.515 3.041 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001166744361 1383469926 /nfs/dbraw/zinc/46/99/26/1383469926.db2.gz SGONZOAFXRGPPS-QGZVFWFLSA-N 2 1 333.520 3.130 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1 ZINC001166750987 1383471406 /nfs/dbraw/zinc/47/14/06/1383471406.db2.gz PAKUNFFPQTVILA-GOSISDBHSA-N 2 1 333.520 3.212 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC2(C[NH2+]CCC(C)C)CC2)C1 ZINC001166787272 1383477436 /nfs/dbraw/zinc/47/74/36/1383477436.db2.gz KDJARTIEXJXYPQ-GOSISDBHSA-N 2 1 337.552 3.031 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC1(C[NH2+]CC2CCC(C)CC2)CC1 ZINC001167224912 1383570269 /nfs/dbraw/zinc/57/02/69/1383570269.db2.gz NGMWTZMYPHAAIQ-XBMUEBEBSA-N 2 1 349.563 3.173 20 0 EGADMP CS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001328791541 1388865956 /nfs/dbraw/zinc/86/59/56/1388865956.db2.gz FVZGWVMBLYBTTD-OALUTQOASA-N 2 1 334.529 3.235 20 0 EGADMP CS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001328791541 1388865963 /nfs/dbraw/zinc/86/59/63/1388865963.db2.gz FVZGWVMBLYBTTD-OALUTQOASA-N 2 1 334.529 3.235 20 0 EGADMP CC(C)CC[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001167377419 1383615622 /nfs/dbraw/zinc/61/56/22/1383615622.db2.gz PDCGSFMYCHODFQ-UHFFFAOYSA-N 2 1 348.535 3.319 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001167459028 1383638326 /nfs/dbraw/zinc/63/83/26/1383638326.db2.gz PCQQBUDZYWYHDI-UHFFFAOYSA-N 2 1 334.508 3.038 20 0 EGADMP C[C@H](C(=O)Nc1c[nH+]ccc1Nc1ccccc1)[NH+]1[C@H](C)CC[C@H]1C ZINC001300171450 1383649809 /nfs/dbraw/zinc/64/98/09/1383649809.db2.gz JNEYLYLSRSWHOA-BZUAXINKSA-N 2 1 338.455 3.447 20 0 EGADMP CCC[C@]1(C)CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001167509434 1383654591 /nfs/dbraw/zinc/65/45/91/1383654591.db2.gz NCOYDBIFPVFUMG-TZIWHRDSSA-N 2 1 345.531 3.308 20 0 EGADMP C[C@@H]1CN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001167575759 1383675349 /nfs/dbraw/zinc/67/53/49/1383675349.db2.gz HRIBUAKISZNCFW-STZQEDGTSA-N 2 1 336.479 3.316 20 0 EGADMP C[C@@H]1CN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001167575759 1383675350 /nfs/dbraw/zinc/67/53/50/1383675350.db2.gz HRIBUAKISZNCFW-STZQEDGTSA-N 2 1 336.479 3.316 20 0 EGADMP CCc1cccc(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC001167626923 1383692472 /nfs/dbraw/zinc/69/24/72/1383692472.db2.gz HREHCEIXPNVUBR-HXUWFJFHSA-N 2 1 345.531 3.108 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001167826960 1383750343 /nfs/dbraw/zinc/75/03/43/1383750343.db2.gz SJWCRDWQHPEJAZ-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](N2Cc3ccccc3C2=O)C1 ZINC001167833781 1383752972 /nfs/dbraw/zinc/75/29/72/1383752972.db2.gz FBLJEXKNGFGWKQ-MJGOQNOKSA-N 2 1 343.515 3.227 20 0 EGADMP Cc1cc2c(cc1C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)OCCO2 ZINC001167960513 1383779807 /nfs/dbraw/zinc/77/98/07/1383779807.db2.gz ZSJYKRFHSICHHH-YQQQUEKLSA-N 2 1 342.483 3.261 20 0 EGADMP CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)ccc1O ZINC001167973407 1383782300 /nfs/dbraw/zinc/78/23/00/1383782300.db2.gz JPWIQCHICSJORN-AYHJJNSGSA-N 2 1 330.472 3.286 20 0 EGADMP NC(=[NH2+])N(c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167975670 1383784120 /nfs/dbraw/zinc/78/41/20/1383784120.db2.gz TXYXWJAXGAXNTN-SJPCQFCGSA-N 2 1 332.879 3.445 20 0 EGADMP c1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167981838 1383786400 /nfs/dbraw/zinc/78/64/00/1383786400.db2.gz MPKSPFHXYPSXGH-WCRBZPEASA-N 2 1 325.500 3.214 20 0 EGADMP c1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167981838 1383786403 /nfs/dbraw/zinc/78/64/03/1383786403.db2.gz MPKSPFHXYPSXGH-WCRBZPEASA-N 2 1 325.500 3.214 20 0 EGADMP C[NH+]1CCC(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)CC1 ZINC001167995393 1383792066 /nfs/dbraw/zinc/79/20/66/1383792066.db2.gz DFVLLMCTRFXIAJ-CBQGHPETSA-N 3 1 345.575 3.446 20 0 EGADMP C[C@H]1CC([NH2+]CC(=O)NC2CCCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168007798 1383794726 /nfs/dbraw/zinc/79/47/26/1383794726.db2.gz BJFFRCGVBDDICA-IRXDYDNUSA-N 2 1 343.515 3.076 20 0 EGADMP CC(C)N1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1=O ZINC001168021561 1383798828 /nfs/dbraw/zinc/79/88/28/1383798828.db2.gz QGYPLBDJDRLWDZ-PIKOESSRSA-N 2 1 343.515 3.027 20 0 EGADMP CC(=O)N[C@@H]1CCC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168050641 1383804038 /nfs/dbraw/zinc/80/40/38/1383804038.db2.gz BZNUBWGOJCQFOG-MBOZVWFJSA-N 2 1 343.515 3.029 20 0 EGADMP CC(=O)N[C@@H]1CCC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168050641 1383804051 /nfs/dbraw/zinc/80/40/51/1383804051.db2.gz BZNUBWGOJCQFOG-MBOZVWFJSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CCO1 ZINC001168128032 1383823374 /nfs/dbraw/zinc/82/33/74/1383823374.db2.gz MBJBAGXMHXWRMT-RKNHFHLDSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CCO1 ZINC001168128032 1383823377 /nfs/dbraw/zinc/82/33/77/1383823377.db2.gz MBJBAGXMHXWRMT-RKNHFHLDSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CCO1 ZINC001168128032 1383823379 /nfs/dbraw/zinc/82/33/79/1383823379.db2.gz MBJBAGXMHXWRMT-RKNHFHLDSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CCO1 ZINC001168128032 1383823383 /nfs/dbraw/zinc/82/33/83/1383823383.db2.gz MBJBAGXMHXWRMT-RKNHFHLDSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168314118 1383870833 /nfs/dbraw/zinc/87/08/33/1383870833.db2.gz KBCOSIZJJYHGMH-GTPINHCMSA-N 2 1 339.524 3.191 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001168335475 1383875784 /nfs/dbraw/zinc/87/57/84/1383875784.db2.gz KDVWFLQMQGHGOM-QGZVFWFLSA-N 2 1 337.552 3.173 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001168335841 1383877062 /nfs/dbraw/zinc/87/70/62/1383877062.db2.gz WAUMLWCZLOAMBS-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001168346249 1383880070 /nfs/dbraw/zinc/88/00/70/1383880070.db2.gz YRCWJSVYPJJWIQ-INIZCTEOSA-N 2 1 349.494 3.103 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001168369461 1383886493 /nfs/dbraw/zinc/88/64/93/1383886493.db2.gz UKSKPBTZBSWSBV-QGZVFWFLSA-N 2 1 342.487 3.137 20 0 EGADMP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168393239 1383894106 /nfs/dbraw/zinc/89/41/06/1383894106.db2.gz ZKEXCVPKWLMVBI-WDSOQIARSA-N 2 1 348.531 3.303 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CC[NH+]1C1CCCC1 ZINC001306525648 1383894760 /nfs/dbraw/zinc/89/47/60/1383894760.db2.gz YVNBTBNZQLCOKI-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CC1CCCCC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001306525648 1383894764 /nfs/dbraw/zinc/89/47/64/1383894764.db2.gz YVNBTBNZQLCOKI-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CC1CCCCC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC001306525648 1383894767 /nfs/dbraw/zinc/89/47/67/1383894767.db2.gz YVNBTBNZQLCOKI-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP COc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)CCO2)cc1 ZINC001168597451 1383945275 /nfs/dbraw/zinc/94/52/75/1383945275.db2.gz AXVMNHKXSQYQLR-YLJYHZDGSA-N 2 1 330.472 3.132 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]CCC1CCCC1 ZINC001168615305 1383949493 /nfs/dbraw/zinc/94/94/93/1383949493.db2.gz OCQMXRPEQUVCQV-UHFFFAOYSA-N 2 1 325.541 3.175 20 0 EGADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CN1C(=O)OC(C)(C)C ZINC001168840315 1384029365 /nfs/dbraw/zinc/02/93/65/1384029365.db2.gz ULWVGCSHDIIKHV-IKGGRYGDSA-N 2 1 339.524 3.225 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(OC3CCOCC3)c(F)c1)C2 ZINC001169108095 1384108007 /nfs/dbraw/zinc/10/80/07/1384108007.db2.gz OMWVLBRTWAPDHW-BJWYYQGGSA-N 2 1 348.462 3.098 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(OC3CCOCC3)c(F)c1)C2 ZINC001169108095 1384108009 /nfs/dbraw/zinc/10/80/09/1384108009.db2.gz OMWVLBRTWAPDHW-BJWYYQGGSA-N 2 1 348.462 3.098 20 0 EGADMP C[C@@H](CNC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001308200104 1384108904 /nfs/dbraw/zinc/10/89/04/1384108904.db2.gz UAARTHVRPHRDED-OALUTQOASA-N 2 1 329.532 3.361 20 0 EGADMP COC(=O)[C@](C)([NH3+])Cc1cn(-c2cc[nH+]c(C3CC3)c2)c2ccccc12 ZINC001169117228 1384109281 /nfs/dbraw/zinc/10/92/81/1384109281.db2.gz SIZZTJZYMQNSBY-OAQYLSRUSA-N 2 1 349.434 3.336 20 0 EGADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001169117297 1384109342 /nfs/dbraw/zinc/10/93/42/1384109342.db2.gz XTTMXAXHTDXICE-VXIBKDFQSA-N 2 1 328.456 3.065 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@]13CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169130362 1384111412 /nfs/dbraw/zinc/11/14/12/1384111412.db2.gz MWHAHOBDCSHJCO-XLSPSMHOSA-N 2 1 349.519 3.087 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@]13CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169130362 1384111414 /nfs/dbraw/zinc/11/14/14/1384111414.db2.gz MWHAHOBDCSHJCO-XLSPSMHOSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@]13CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169130362 1384111415 /nfs/dbraw/zinc/11/14/15/1384111415.db2.gz MWHAHOBDCSHJCO-XLSPSMHOSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@]13CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169130362 1384111416 /nfs/dbraw/zinc/11/14/16/1384111416.db2.gz MWHAHOBDCSHJCO-XLSPSMHOSA-N 2 1 349.519 3.087 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(OCc3ccc(F)cc3)CC1)C2 ZINC001169139696 1384112273 /nfs/dbraw/zinc/11/22/73/1384112273.db2.gz DPBSPZMHSVWXGZ-REPLKXPHSA-N 2 1 332.463 3.432 20 0 EGADMP COc1ccccc1O[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169141271 1384113085 /nfs/dbraw/zinc/11/30/85/1384113085.db2.gz PHGFWMXEQPTZBO-XMTFNYHQSA-N 2 1 330.472 3.164 20 0 EGADMP COc1ccccc1O[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169141271 1384113087 /nfs/dbraw/zinc/11/30/87/1384113087.db2.gz PHGFWMXEQPTZBO-XMTFNYHQSA-N 2 1 330.472 3.164 20 0 EGADMP COc1ccccc1O[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169141271 1384113089 /nfs/dbraw/zinc/11/30/89/1384113089.db2.gz PHGFWMXEQPTZBO-XMTFNYHQSA-N 2 1 330.472 3.164 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001169153647 1384115932 /nfs/dbraw/zinc/11/59/32/1384115932.db2.gz KQGAQHSRWXDOHR-TWGBQZSLSA-N 2 1 339.527 3.066 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001169153647 1384115934 /nfs/dbraw/zinc/11/59/34/1384115934.db2.gz KQGAQHSRWXDOHR-TWGBQZSLSA-N 2 1 339.527 3.066 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001169153647 1384115936 /nfs/dbraw/zinc/11/59/36/1384115936.db2.gz KQGAQHSRWXDOHR-TWGBQZSLSA-N 2 1 339.527 3.066 20 0 EGADMP COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155760 1384116268 /nfs/dbraw/zinc/11/62/68/1384116268.db2.gz UMSIKKWGURYVIK-GDAAHCPNSA-N 2 1 330.472 3.065 20 0 EGADMP COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155760 1384116271 /nfs/dbraw/zinc/11/62/71/1384116271.db2.gz UMSIKKWGURYVIK-GDAAHCPNSA-N 2 1 330.472 3.065 20 0 EGADMP COC(=O)C[C@H](C)[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169155760 1384116274 /nfs/dbraw/zinc/11/62/74/1384116274.db2.gz UMSIKKWGURYVIK-GDAAHCPNSA-N 2 1 330.472 3.065 20 0 EGADMP COC(=O)C[C@H](C)[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169155760 1384116278 /nfs/dbraw/zinc/11/62/78/1384116278.db2.gz UMSIKKWGURYVIK-GDAAHCPNSA-N 2 1 330.472 3.065 20 0 EGADMP COc1cccc([C@H]2CSCC[N@@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169154758 1384116471 /nfs/dbraw/zinc/11/64/71/1384116471.db2.gz UNGAHWRTRPVADD-VUHPKUFZSA-N 2 1 332.513 3.410 20 0 EGADMP COc1cccc([C@H]2CSCC[N@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC001169154758 1384116473 /nfs/dbraw/zinc/11/64/73/1384116473.db2.gz UNGAHWRTRPVADD-VUHPKUFZSA-N 2 1 332.513 3.410 20 0 EGADMP COc1cccc([C@H]2CSCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169154758 1384116474 /nfs/dbraw/zinc/11/64/74/1384116474.db2.gz UNGAHWRTRPVADD-VUHPKUFZSA-N 2 1 332.513 3.410 20 0 EGADMP COc1cccc([C@H]2CSCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169154758 1384116476 /nfs/dbraw/zinc/11/64/76/1384116476.db2.gz UNGAHWRTRPVADD-VUHPKUFZSA-N 2 1 332.513 3.410 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@]3(CCC[NH+]3Cc3ccccc3)C1)C2 ZINC001169156418 1384116872 /nfs/dbraw/zinc/11/68/72/1384116872.db2.gz XQPXHVVKWBOOOB-LRSLUSHPSA-N 2 1 339.527 3.352 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)C1)C2 ZINC001169156418 1384116874 /nfs/dbraw/zinc/11/68/74/1384116874.db2.gz XQPXHVVKWBOOOB-LRSLUSHPSA-N 2 1 339.527 3.352 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@]3(CCC[N@H+]3Cc3ccccc3)C1)C2 ZINC001169156418 1384116875 /nfs/dbraw/zinc/11/68/75/1384116875.db2.gz XQPXHVVKWBOOOB-LRSLUSHPSA-N 2 1 339.527 3.352 20 0 EGADMP CC[NH+]1CCC([NH2+]C2CCN(Cc3cc(F)cc(F)c3)CC2)CC1 ZINC001169237966 1384125979 /nfs/dbraw/zinc/12/59/79/1384125979.db2.gz DIWLPJQOFXUBOD-UHFFFAOYSA-N 2 1 337.458 3.003 20 0 EGADMP CC[NH+]1CCC([NH2+]Cc2ccc(Br)c(OC)c2)CC1 ZINC001169241506 1384126411 /nfs/dbraw/zinc/12/64/11/1384126411.db2.gz NAIKUTCJNXCVBE-UHFFFAOYSA-N 2 1 327.266 3.032 20 0 EGADMP CC[NH+]1CCC(N(C)[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)CC1 ZINC001169261685 1384128684 /nfs/dbraw/zinc/12/86/84/1384128684.db2.gz LWSPTJKPTJEKGE-RXVVDRJESA-N 2 1 329.532 3.313 20 0 EGADMP CC[NH+]1CCC([N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)CC1 ZINC001169262185 1384129078 /nfs/dbraw/zinc/12/90/78/1384129078.db2.gz VTEHYJQIRKBAFD-SZMVWBNQSA-N 2 1 336.520 3.446 20 0 EGADMP CC[NH+]1CCC([N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)CC1 ZINC001169262185 1384129080 /nfs/dbraw/zinc/12/90/80/1384129080.db2.gz VTEHYJQIRKBAFD-SZMVWBNQSA-N 2 1 336.520 3.446 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169291248 1384133188 /nfs/dbraw/zinc/13/31/88/1384133188.db2.gz WKKPXQQTTOSHGJ-RXQRSOPUSA-N 2 1 330.472 3.084 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169291248 1384133190 /nfs/dbraw/zinc/13/31/90/1384133190.db2.gz WKKPXQQTTOSHGJ-RXQRSOPUSA-N 2 1 330.472 3.084 20 0 EGADMP C[C@H](c1nccc2ccccc21)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001308628821 1384137671 /nfs/dbraw/zinc/13/76/71/1384137671.db2.gz WCULYJLPQPYDLW-IEBWSBKVSA-N 2 1 338.499 3.008 20 0 EGADMP C[C@H](c1nccc2ccccc21)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001308628821 1384137675 /nfs/dbraw/zinc/13/76/75/1384137675.db2.gz WCULYJLPQPYDLW-IEBWSBKVSA-N 2 1 338.499 3.008 20 0 EGADMP CC(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169596664 1384163425 /nfs/dbraw/zinc/16/34/25/1384163425.db2.gz OJYUVOXGEIJOTF-ACRUOGEOSA-N 2 1 343.515 3.078 20 0 EGADMP Cc1cc(C)cc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001169798912 1384187441 /nfs/dbraw/zinc/18/74/41/1384187441.db2.gz SPKVIAZWCVFQCD-AZUAARDMSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169810592 1384188037 /nfs/dbraw/zinc/18/80/37/1384188037.db2.gz RGGZCCQOEDKTNB-HKUYNNGSSA-N 2 1 337.552 3.316 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)cc1C ZINC001169811830 1384188113 /nfs/dbraw/zinc/18/81/13/1384188113.db2.gz YDTMMYRBYAQFNH-AZUAARDMSA-N 2 1 345.531 3.162 20 0 EGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169954464 1384203954 /nfs/dbraw/zinc/20/39/54/1384203954.db2.gz ATHSEHIHDZFEGU-WOJBJXKFSA-N 2 1 344.499 3.126 20 0 EGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169954464 1384203956 /nfs/dbraw/zinc/20/39/56/1384203956.db2.gz ATHSEHIHDZFEGU-WOJBJXKFSA-N 2 1 344.499 3.126 20 0 EGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169954464 1384203959 /nfs/dbraw/zinc/20/39/59/1384203959.db2.gz ATHSEHIHDZFEGU-WOJBJXKFSA-N 2 1 344.499 3.126 20 0 EGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001170261421 1384277836 /nfs/dbraw/zinc/27/78/36/1384277836.db2.gz RPWVTQMHXXUDFI-CRAIPNDOSA-N 2 1 336.907 3.362 20 0 EGADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001170261421 1384277838 /nfs/dbraw/zinc/27/78/38/1384277838.db2.gz RPWVTQMHXXUDFI-CRAIPNDOSA-N 2 1 336.907 3.362 20 0 EGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccccc1Cl ZINC001170282713 1384281541 /nfs/dbraw/zinc/28/15/41/1384281541.db2.gz KEBNBKZWXHFHRT-HNNXBMFYSA-N 2 1 340.895 3.088 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170753158 1384379261 /nfs/dbraw/zinc/37/92/61/1384379261.db2.gz MUOGHNSQNUJLJA-GQUPQBGVSA-N 2 1 332.532 3.101 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170753158 1384379263 /nfs/dbraw/zinc/37/92/63/1384379263.db2.gz MUOGHNSQNUJLJA-GQUPQBGVSA-N 2 1 332.532 3.101 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170753158 1384379266 /nfs/dbraw/zinc/37/92/66/1384379266.db2.gz MUOGHNSQNUJLJA-GQUPQBGVSA-N 2 1 332.532 3.101 20 0 EGADMP CCC/C=C/CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001170785733 1384385377 /nfs/dbraw/zinc/38/53/77/1384385377.db2.gz WAEIEUPHINXRIM-UCFODXPJSA-N 2 1 337.552 3.483 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170855119 1384399846 /nfs/dbraw/zinc/39/98/46/1384399846.db2.gz WGZCQAGKAZFDKZ-IRXDYDNUSA-N 2 1 337.305 3.380 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170855120 1384399943 /nfs/dbraw/zinc/39/99/43/1384399943.db2.gz WGZCQAGKAZFDKZ-SJORKVTESA-N 2 1 337.305 3.380 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC2CCC2)C1 ZINC001171236130 1384476747 /nfs/dbraw/zinc/47/67/47/1384476747.db2.gz LHJXWNKAZKDINH-HKUYNNGSSA-N 2 1 337.552 3.029 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171248237 1384478233 /nfs/dbraw/zinc/47/82/33/1384478233.db2.gz RAUDWGJYMJRSKU-SJLPKXTDSA-N 2 1 348.535 3.461 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171546571 1384558635 /nfs/dbraw/zinc/55/86/35/1384558635.db2.gz LHOADPNECRRTNA-WMZOPIPTSA-N 2 1 337.552 3.172 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1 ZINC001171586706 1384572811 /nfs/dbraw/zinc/57/28/11/1384572811.db2.gz RYCUOLRRBJLYOQ-MRXNPFEDSA-N 2 1 325.541 3.172 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001171586704 1384573118 /nfs/dbraw/zinc/57/31/18/1384573118.db2.gz RYCUOLRRBJLYOQ-INIZCTEOSA-N 2 1 325.541 3.172 20 0 EGADMP C[NH+]1C(C)(C)CC([NH+]2CC3(CN(Cc4ccccc4)C3)C2)CC1(C)C ZINC001171639353 1384588789 /nfs/dbraw/zinc/58/87/89/1384588789.db2.gz HCCXZBMVWNKBKB-UHFFFAOYSA-N 2 1 341.543 3.456 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001171646020 1384591055 /nfs/dbraw/zinc/59/10/55/1384591055.db2.gz HBJDTXVUWRBYLP-IEBWSBKVSA-N 2 1 337.552 3.172 20 0 EGADMP C[C@H]1C[C@@H](N(C(N)=[NH2+])c2ccccc2F)C[N@H+]1Cc1ccccc1 ZINC001171730415 1384617074 /nfs/dbraw/zinc/61/70/74/1384617074.db2.gz YQMQOYZTDNCEFS-GOEBONIOSA-N 2 1 326.419 3.189 20 0 EGADMP C[C@@H]1C[C@@H](N2CCC([NH+]3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171746932 1384624307 /nfs/dbraw/zinc/62/43/07/1384624307.db2.gz UVTQROYTMXWQSX-WIYYLYMNSA-N 2 1 327.516 3.210 20 0 EGADMP C[C@H]1C[C@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)CN1Cc1ccccc1 ZINC001171759032 1384626647 /nfs/dbraw/zinc/62/66/47/1384626647.db2.gz FTHFAFXTFZPLPT-ICSRJNTNSA-N 2 1 327.516 3.067 20 0 EGADMP C[C@H]1C[C@H](N2CCC3(CC2)CC[NH+](C)CC3)C[N@H+]1Cc1ccccc1 ZINC001171760653 1384627651 /nfs/dbraw/zinc/62/76/51/1384627651.db2.gz YYCZKPOEDWODST-FPOVZHCZSA-N 2 1 341.543 3.457 20 0 EGADMP CC[NH+](CC)C1CCN([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171765815 1384629526 /nfs/dbraw/zinc/62/95/26/1384629526.db2.gz ZOMBYNNPJNZVQW-NQIIRXRSSA-N 2 1 329.532 3.456 20 0 EGADMP C[N@@H+]1C[C@H]2[C@H](C1)CCCN2[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171985978 1384703700 /nfs/dbraw/zinc/70/37/00/1384703700.db2.gz DWKMLODEDUQBTD-HBMCJLEFSA-N 2 1 341.543 3.456 20 0 EGADMP C[NH+]1C[C@H]2[C@H](C1)CCCN2[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171985978 1384703702 /nfs/dbraw/zinc/70/37/02/1384703702.db2.gz DWKMLODEDUQBTD-HBMCJLEFSA-N 2 1 341.543 3.456 20 0 EGADMP C[NH+]1C[C@H]2[C@H](C1)CCCN2[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171985978 1384703706 /nfs/dbraw/zinc/70/37/06/1384703706.db2.gz DWKMLODEDUQBTD-HBMCJLEFSA-N 2 1 341.543 3.456 20 0 EGADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC4(COC4)C2)C3)cc1 ZINC001172069741 1384717708 /nfs/dbraw/zinc/71/77/08/1384717708.db2.gz UHPPVUZYHJFWGJ-ACDBMABISA-N 2 1 326.484 3.294 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC4(COC4)C2)C3)cc1 ZINC001172069741 1384717711 /nfs/dbraw/zinc/71/77/11/1384717711.db2.gz UHPPVUZYHJFWGJ-ACDBMABISA-N 2 1 326.484 3.294 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CCC4(COC4)C2)C3)cc1 ZINC001172069741 1384717714 /nfs/dbraw/zinc/71/77/14/1384717714.db2.gz UHPPVUZYHJFWGJ-ACDBMABISA-N 2 1 326.484 3.294 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CCC4(COC4)C2)C3)cc1 ZINC001172069741 1384717717 /nfs/dbraw/zinc/71/77/17/1384717717.db2.gz UHPPVUZYHJFWGJ-ACDBMABISA-N 2 1 326.484 3.294 20 0 EGADMP O[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@H]1F ZINC001172069745 1384717992 /nfs/dbraw/zinc/71/79/92/1384717992.db2.gz UIIOHVRDVKJDFD-FDKIHUSFSA-N 2 1 346.490 3.367 20 0 EGADMP O[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@H]1F ZINC001172069745 1384717993 /nfs/dbraw/zinc/71/79/93/1384717993.db2.gz UIIOHVRDVKJDFD-FDKIHUSFSA-N 2 1 346.490 3.367 20 0 EGADMP O[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@H]1F ZINC001172069745 1384717995 /nfs/dbraw/zinc/71/79/95/1384717995.db2.gz UIIOHVRDVKJDFD-FDKIHUSFSA-N 2 1 346.490 3.367 20 0 EGADMP CCOC(=O)CC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074333 1384719927 /nfs/dbraw/zinc/71/99/27/1384719927.db2.gz HCVYGBOCIMLCGL-PMOLBWCYSA-N 2 1 344.499 3.457 20 0 EGADMP CCOC(=O)CC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074333 1384719930 /nfs/dbraw/zinc/71/99/30/1384719930.db2.gz HCVYGBOCIMLCGL-PMOLBWCYSA-N 2 1 344.499 3.457 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccc(C(F)(F)F)nc1)C2 ZINC001172100738 1384726959 /nfs/dbraw/zinc/72/69/59/1384726959.db2.gz SFJANNVRCLOUTR-QDMKHBRRSA-N 2 1 327.394 3.248 20 0 EGADMP COc1ccc(C2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCOCC2)cc1 ZINC001172111305 1384729345 /nfs/dbraw/zinc/72/93/45/1384729345.db2.gz PUBIYEBRWILJCZ-REPLKXPHSA-N 2 1 344.499 3.306 20 0 EGADMP COc1ccc(C2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCOCC2)cc1 ZINC001172111305 1384729347 /nfs/dbraw/zinc/72/93/47/1384729347.db2.gz PUBIYEBRWILJCZ-REPLKXPHSA-N 2 1 344.499 3.306 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cn(Cc3cccc(F)c3)cn1)C2 ZINC001172112067 1384730114 /nfs/dbraw/zinc/73/01/14/1384730114.db2.gz RBQDOEJSJBYYRR-FNLKRUPLSA-N 2 1 342.462 3.175 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cn(Cc3cccc(F)c3)cn1)C2 ZINC001172112067 1384730117 /nfs/dbraw/zinc/73/01/17/1384730117.db2.gz RBQDOEJSJBYYRR-FNLKRUPLSA-N 2 1 342.462 3.175 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(c3ccccc3)CCOCC1)C2 ZINC001172110674 1384730158 /nfs/dbraw/zinc/73/01/58/1384730158.db2.gz LHAXJYBMAFJIDA-OWZKRDHZSA-N 2 1 328.500 3.340 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CC1)OC(=O)c1ccccc13)C2 ZINC001172123615 1384734803 /nfs/dbraw/zinc/73/48/03/1384734803.db2.gz HEJVAHLSCHLTNW-BJWYYQGGSA-N 2 1 340.467 3.163 20 0 EGADMP Cc1ccnc(O[C@H]2CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172132409 1384737128 /nfs/dbraw/zinc/73/71/28/1384737128.db2.gz KTHVPVKMHZIDIJ-MANSERQUSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1ccnc(O[C@H]2CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172132409 1384737130 /nfs/dbraw/zinc/73/71/30/1384737130.db2.gz KTHVPVKMHZIDIJ-MANSERQUSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1ccnc(O[C@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)c1 ZINC001172132409 1384737132 /nfs/dbraw/zinc/73/71/32/1384737132.db2.gz KTHVPVKMHZIDIJ-MANSERQUSA-N 2 1 329.488 3.249 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172161235 1384739799 /nfs/dbraw/zinc/73/97/99/1384739799.db2.gz UJJWUPCJNNAPGU-NXWXRZEISA-N 2 1 333.520 3.044 20 0 EGADMP COCCC[NH+]1CCC([NH2+]C(C)(C)Cc2ccccc2OC)CC1 ZINC001172248465 1384755886 /nfs/dbraw/zinc/75/58/86/1384755886.db2.gz JCAUOTUCGYQXJM-UHFFFAOYSA-N 2 1 334.504 3.107 20 0 EGADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172333009 1384772157 /nfs/dbraw/zinc/77/21/57/1384772157.db2.gz IZHFPSUAGWZITO-BRSBDYLESA-N 2 1 326.525 3.331 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@@H](C[N@@H+](C)CCC3CCCC3)C2)CCC1 ZINC001317036287 1384807058 /nfs/dbraw/zinc/80/70/58/1384807058.db2.gz CGEWFIODXFWBEU-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172561336 1384811848 /nfs/dbraw/zinc/81/18/48/1384811848.db2.gz PYLVLMXRRKUOLZ-RTBURBONSA-N 2 1 332.488 3.140 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172829369 1384860492 /nfs/dbraw/zinc/86/04/92/1384860492.db2.gz AKFQSTLXCWOYAL-VXKWHMMOSA-N 2 1 342.527 3.428 20 0 EGADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001172965044 1384891507 /nfs/dbraw/zinc/89/15/07/1384891507.db2.gz XCHRSTKYLUSWML-MRXNPFEDSA-N 2 1 339.524 3.192 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)CC1 ZINC001173108329 1384916261 /nfs/dbraw/zinc/91/62/61/1384916261.db2.gz BQPDLGIBDIKPHO-SLTXQBBLSA-N 2 1 336.442 3.275 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]3OCCC[C@]3(COC)C2)CC1 ZINC001173109458 1384917200 /nfs/dbraw/zinc/91/72/00/1384917200.db2.gz BNUGIINFKUWONV-NTFDOXNWSA-N 2 1 338.536 3.157 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCCN(c3cccnc3)CC2)CC1 ZINC001173113914 1384917903 /nfs/dbraw/zinc/91/79/03/1384917903.db2.gz OUOLDHOOGOFVGN-UHFFFAOYSA-N 2 1 330.520 3.247 20 0 EGADMP CCCC[NH+]1CCC([N@H+](C)[C@H]2COc3cccc(OC)c3C2)CC1 ZINC001173167709 1384929366 /nfs/dbraw/zinc/92/93/66/1384929366.db2.gz ZKRCTEOFPCFZMK-QGZVFWFLSA-N 2 1 332.488 3.195 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2COc3cccc(OC)c3C2)CC1 ZINC001173167709 1384929367 /nfs/dbraw/zinc/92/93/67/1384929367.db2.gz ZKRCTEOFPCFZMK-QGZVFWFLSA-N 2 1 332.488 3.195 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317170743 1384937177 /nfs/dbraw/zinc/93/71/77/1384937177.db2.gz GXNRMBUPASNECW-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC001173269777 1384948022 /nfs/dbraw/zinc/94/80/22/1384948022.db2.gz XTORMEUTZNNEOR-CWJKEVGVSA-N 2 1 333.564 3.494 20 0 EGADMP CC[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001173279968 1384950821 /nfs/dbraw/zinc/95/08/21/1384950821.db2.gz NHKBDMNUWNSRJT-AYWYSENESA-N 2 1 343.515 3.183 20 0 EGADMP CC[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001173279968 1384950822 /nfs/dbraw/zinc/95/08/22/1384950822.db2.gz NHKBDMNUWNSRJT-AYWYSENESA-N 2 1 343.515 3.183 20 0 EGADMP CC[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001173279968 1384950826 /nfs/dbraw/zinc/95/08/26/1384950826.db2.gz NHKBDMNUWNSRJT-AYWYSENESA-N 2 1 343.515 3.183 20 0 EGADMP CC[C@H]1CC[C@@H]([N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001173281358 1384951104 /nfs/dbraw/zinc/95/11/04/1384951104.db2.gz XXVZOLOGNRWYLX-ZWKOTPCHSA-N 2 1 330.520 3.306 20 0 EGADMP CC[N@H+]1CC[C@@H](N2CCC3(CC[NH+](Cc4cccs4)C3)CC2)C1 ZINC001173363239 1384964391 /nfs/dbraw/zinc/96/43/91/1384964391.db2.gz JYYJMIJYIAKRJA-QGZVFWFLSA-N 2 1 333.545 3.130 20 0 EGADMP CC[NH+]1CC[C@@H](N2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)C1 ZINC001173363239 1384964394 /nfs/dbraw/zinc/96/43/94/1384964394.db2.gz JYYJMIJYIAKRJA-QGZVFWFLSA-N 2 1 333.545 3.130 20 0 EGADMP CC[NH+]1CC[C@@H](N2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)C1 ZINC001173363239 1384964396 /nfs/dbraw/zinc/96/43/96/1384964396.db2.gz JYYJMIJYIAKRJA-QGZVFWFLSA-N 2 1 333.545 3.130 20 0 EGADMP CC[N@H+]1CC[C@@H](N2CCC3(CC[C@@H]3[NH+](C)Cc3ccco3)CC2)C1 ZINC001173364967 1384964599 /nfs/dbraw/zinc/96/45/99/1384964599.db2.gz WBAZZDXVFNHDKL-MJGOQNOKSA-N 2 1 331.504 3.050 20 0 EGADMP CC[NH+]1CC[C@@H](N2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)C1 ZINC001173364967 1384964602 /nfs/dbraw/zinc/96/46/02/1384964602.db2.gz WBAZZDXVFNHDKL-MJGOQNOKSA-N 2 1 331.504 3.050 20 0 EGADMP CC[NH+]1CC[C@@H](N2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)C1 ZINC001173364967 1384964605 /nfs/dbraw/zinc/96/46/05/1384964605.db2.gz WBAZZDXVFNHDKL-MJGOQNOKSA-N 2 1 331.504 3.050 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)C[C@@H]2CCCC[NH+]2Cc2ccc(OC)cc2)C1 ZINC001173367247 1384965241 /nfs/dbraw/zinc/96/52/41/1384965241.db2.gz FJALPGIGYMDNEG-UXHICEINSA-N 2 1 345.531 3.076 20 0 EGADMP CC[NH+]1CC[C@@H](N(C)C[C@@H]2CCCC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC001173367247 1384965243 /nfs/dbraw/zinc/96/52/43/1384965243.db2.gz FJALPGIGYMDNEG-UXHICEINSA-N 2 1 345.531 3.076 20 0 EGADMP CC[NH+]1CC[C@@H](N(C)C[C@@H]2CCCC[N@H+]2Cc2ccc(OC)cc2)C1 ZINC001173367247 1384965246 /nfs/dbraw/zinc/96/52/46/1384965246.db2.gz FJALPGIGYMDNEG-UXHICEINSA-N 2 1 345.531 3.076 20 0 EGADMP C[N@@H+](C1CCC([NH3+])CC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173412201 1384968212 /nfs/dbraw/zinc/96/82/12/1384968212.db2.gz LPCXTPHELOFPQX-UHFFFAOYSA-N 2 1 349.906 3.146 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001173636598 1384993547 /nfs/dbraw/zinc/99/35/47/1384993547.db2.gz ZMYUPULVQLMRSB-QAPCUYQASA-N 2 1 348.462 3.197 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CCC([NH2+][C@@H](C)c2ccccc2)CC1 ZINC001317221168 1385001433 /nfs/dbraw/zinc/00/14/33/1385001433.db2.gz YGOYLEVLMVGZQS-KKXNLOMOSA-N 2 1 345.531 3.497 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[N@H+]2CCCC[C@@H](CCC[NH3+])C2)cc1 ZINC001173719914 1385008447 /nfs/dbraw/zinc/00/84/47/1385008447.db2.gz JJFZGEIISHHJQW-WMZOPIPTSA-N 2 1 332.488 3.245 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001317482738 1385179512 /nfs/dbraw/zinc/17/95/12/1385179512.db2.gz WTMXVSHFDDADJO-MOPGFXCFSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)CCC1CCCC1 ZINC001317489572 1385189612 /nfs/dbraw/zinc/18/96/12/1385189612.db2.gz LKRSOMKLUHFVSE-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CCC1CCCC1 ZINC001317489572 1385189615 /nfs/dbraw/zinc/18/96/15/1385189615.db2.gz LKRSOMKLUHFVSE-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)CCC1CCCC1 ZINC001317489572 1385189617 /nfs/dbraw/zinc/18/96/17/1385189617.db2.gz LKRSOMKLUHFVSE-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175257182 1385232066 /nfs/dbraw/zinc/23/20/66/1385232066.db2.gz WCUAOUSCFQENIN-ZWKOTPCHSA-N 2 1 335.536 3.236 20 0 EGADMP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001175262368 1385233404 /nfs/dbraw/zinc/23/34/04/1385233404.db2.gz FPNUBOCHTDXWNA-RTBURBONSA-N 2 1 345.531 3.101 20 0 EGADMP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001175262367 1385233665 /nfs/dbraw/zinc/23/36/65/1385233665.db2.gz FPNUBOCHTDXWNA-RBUKOAKNSA-N 2 1 345.531 3.101 20 0 EGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2C[C@@H](O)Cc2ccccc2)CC1 ZINC001175352698 1385263475 /nfs/dbraw/zinc/26/34/75/1385263475.db2.gz QQLMDZGZVNOOJJ-RTWAWAEBSA-N 2 1 330.516 3.176 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1ccc(F)cc1 ZINC001317539959 1385275657 /nfs/dbraw/zinc/27/56/57/1385275657.db2.gz CILDJDNYECCCIC-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)Cc1ccc(F)cc1 ZINC001317539959 1385275661 /nfs/dbraw/zinc/27/56/61/1385275661.db2.gz CILDJDNYECCCIC-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)Cc1ccc(F)cc1 ZINC001317539959 1385275664 /nfs/dbraw/zinc/27/56/64/1385275664.db2.gz CILDJDNYECCCIC-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CC(C)[C@@H](C(=O)NCC[N@H+]([C@H](C)c1ccccc1F)C1CC1)[NH+](C)C ZINC001317552855 1385314550 /nfs/dbraw/zinc/31/45/50/1385314550.db2.gz XPBZANAZXMLARV-BEFAXECRSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[C@@H](C(=O)NCC[N@@H+]([C@H](C)c1ccccc1F)C1CC1)[NH+](C)C ZINC001317552855 1385314553 /nfs/dbraw/zinc/31/45/53/1385314553.db2.gz XPBZANAZXMLARV-BEFAXECRSA-N 2 1 349.494 3.054 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175527991 1385321156 /nfs/dbraw/zinc/32/11/56/1385321156.db2.gz ACNLHPRKZFTLPT-SJORKVTESA-N 2 1 336.524 3.317 20 0 EGADMP C[NH+]1CCC(COc2c(F)cccc2NC2=CCC[N@@H+](C)C2)CC1 ZINC001175582904 1385339919 /nfs/dbraw/zinc/33/99/19/1385339919.db2.gz PEINVUUTKNUXCA-UHFFFAOYSA-N 2 1 333.451 3.178 20 0 EGADMP C[NH+](C)CCOc1ccc(Nc2ccc3c(c2)C[N@H+](C)CC3)cc1 ZINC001176231023 1385521425 /nfs/dbraw/zinc/52/14/25/1385521425.db2.gz GQQPIXGRIAXZLY-UHFFFAOYSA-N 2 1 325.456 3.359 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)cc1 ZINC001176256322 1385529539 /nfs/dbraw/zinc/52/95/39/1385529539.db2.gz BBJPAGFJVABSLJ-LJQANCHMSA-N 2 1 347.547 3.492 20 0 EGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001176281538 1385537737 /nfs/dbraw/zinc/53/77/37/1385537737.db2.gz OCFGFZACISIHQY-SCLBCKFNSA-N 2 1 349.837 3.118 20 0 EGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001176281538 1385537741 /nfs/dbraw/zinc/53/77/41/1385537741.db2.gz OCFGFZACISIHQY-SCLBCKFNSA-N 2 1 349.837 3.118 20 0 EGADMP CCC[NH+](C)CC(=O)N(Cc1ccccc1)[C@@H]1CCC[N@H+](CCC)C1 ZINC001317865793 1385549648 /nfs/dbraw/zinc/54/96/48/1385549648.db2.gz YLSCEDYPNGIPFL-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP CCC[NH+](C)CC(=O)N(Cc1ccccc1)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001317865793 1385549651 /nfs/dbraw/zinc/54/96/51/1385549651.db2.gz YLSCEDYPNGIPFL-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cc1C ZINC001176564846 1385626732 /nfs/dbraw/zinc/62/67/32/1385626732.db2.gz RXVPNTYBYPXQDK-ICSRJNTNSA-N 2 1 345.531 3.020 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001176592045 1385635735 /nfs/dbraw/zinc/63/57/35/1385635735.db2.gz ULEAPAAUXCHVEI-MRXNPFEDSA-N 2 1 336.524 3.282 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH2+]C[C@@H](C)CC(C)C ZINC001176591928 1385635953 /nfs/dbraw/zinc/63/59/53/1385635953.db2.gz SWSUNEUIKCAPBZ-IRXDYDNUSA-N 2 1 336.524 3.138 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001176759580 1385686618 /nfs/dbraw/zinc/68/66/18/1385686618.db2.gz KSQGICANJSBANN-HKUYNNGSSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@H]2CCc3c2cccc3F)CC1 ZINC001318954478 1385895426 /nfs/dbraw/zinc/89/54/26/1385895426.db2.gz UWBYOKDBCJQFRK-FVJLSDCUSA-N 2 1 345.506 3.303 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@H]2CCc3c2cccc3F)CC1 ZINC001318954478 1385895430 /nfs/dbraw/zinc/89/54/30/1385895430.db2.gz UWBYOKDBCJQFRK-FVJLSDCUSA-N 2 1 345.506 3.303 20 0 EGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC001177319165 1385912197 /nfs/dbraw/zinc/91/21/97/1385912197.db2.gz ZWRPBIUPACYTCK-OAHLLOKOSA-N 2 1 332.879 3.266 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC001177319165 1385912202 /nfs/dbraw/zinc/91/22/02/1385912202.db2.gz ZWRPBIUPACYTCK-OAHLLOKOSA-N 2 1 332.879 3.266 20 0 EGADMP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001177467255 1385967341 /nfs/dbraw/zinc/96/73/41/1385967341.db2.gz YIRGJBWTJWIXNH-LJQANCHMSA-N 2 1 337.552 3.127 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCC1([NH2+]CC(C)C)CCCC1)c1ccccc1 ZINC001319386286 1386096109 /nfs/dbraw/zinc/09/61/09/1386096109.db2.gz XKVXAFZXZLKRTP-IBGZPJMESA-N 2 1 345.531 3.354 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCCC2)c1 ZINC001319389866 1386099196 /nfs/dbraw/zinc/09/91/96/1386099196.db2.gz SHMLBXVEXCKXOC-HKUYNNGSSA-N 2 1 343.515 3.026 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)c(C)c1 ZINC001319395834 1386102486 /nfs/dbraw/zinc/10/24/86/1386102486.db2.gz ZJCWUOOFZCQLIP-QXAKKESOSA-N 2 1 331.504 3.483 20 0 EGADMP CC[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001178045636 1386115964 /nfs/dbraw/zinc/11/59/64/1386115964.db2.gz QLSYBJSEIGQTDA-UXHICEINSA-N 2 1 345.531 3.498 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001178687997 1386277717 /nfs/dbraw/zinc/27/77/17/1386277717.db2.gz BJNHKOMKTLAMHW-RBUKOAKNSA-N 2 1 339.568 3.277 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1C ZINC001178689030 1386278536 /nfs/dbraw/zinc/27/85/36/1386278536.db2.gz MROJRHUOHJSQLI-BZSNNMDCSA-N 2 1 337.552 3.265 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001178810575 1386314002 /nfs/dbraw/zinc/31/40/02/1386314002.db2.gz HBJQTYGFBNZERR-VQTJNVASSA-N 2 1 349.563 3.460 20 0 EGADMP CCC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178828702 1386320283 /nfs/dbraw/zinc/32/02/83/1386320283.db2.gz YCYLOQMWAJJQDV-VOFKWLDRSA-N 2 1 337.552 3.483 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001178878704 1386336236 /nfs/dbraw/zinc/33/62/36/1386336236.db2.gz XBMYLLTZKKKTIV-HBCQFFLPSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001178921042 1386350080 /nfs/dbraw/zinc/35/00/80/1386350080.db2.gz SPVZVVOEMFQHME-IBGZPJMESA-N 2 1 339.568 3.419 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001178926208 1386350849 /nfs/dbraw/zinc/35/08/49/1386350849.db2.gz SFWGQEFOMQJQDU-KSZLIROESA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001319999837 1386444038 /nfs/dbraw/zinc/44/40/38/1386444038.db2.gz MDEBMUGBTLFQDL-LPHOPBHVSA-N 2 1 349.494 3.150 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001319999837 1386444042 /nfs/dbraw/zinc/44/40/42/1386444042.db2.gz MDEBMUGBTLFQDL-LPHOPBHVSA-N 2 1 349.494 3.150 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]CC=C(C)C)C1 ZINC001179358016 1386462520 /nfs/dbraw/zinc/46/25/20/1386462520.db2.gz QLEGPZODZYBJRN-IBGZPJMESA-N 2 1 337.552 3.341 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCCCCCC[NH2+]Cc2ccccc2)CC[N@H+]1C ZINC001179378573 1386467483 /nfs/dbraw/zinc/46/74/83/1386467483.db2.gz KKYJLHWKBODTBF-ICSRJNTNSA-N 2 1 345.531 3.183 20 0 EGADMP Cc1cccc(C[N@H+](C)CCN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001320059354 1386480801 /nfs/dbraw/zinc/48/08/01/1386480801.db2.gz RSLGKKINDUDGND-LJQANCHMSA-N 2 1 345.531 3.150 20 0 EGADMP C[C@@H](C(=O)N(C)CC[N@@H+](C)CC1CCCCC1)[NH+]1CCCCCC1 ZINC001320059976 1386481869 /nfs/dbraw/zinc/48/18/69/1386481869.db2.gz VWJYCGSHTDBWKA-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001320091623 1386506930 /nfs/dbraw/zinc/50/69/30/1386506930.db2.gz XUNWGDLZHQXCMV-SFHVURJKSA-N 2 1 331.504 3.014 20 0 EGADMP Cc1ccccc1C[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001179580672 1386522028 /nfs/dbraw/zinc/52/20/28/1386522028.db2.gz LXRJHBHQEHVWTB-IBGZPJMESA-N 2 1 345.531 3.246 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC(C)C)[C@@H]1C ZINC001179748863 1386570747 /nfs/dbraw/zinc/57/07/47/1386570747.db2.gz MWKKMZOHESQFLW-ROUUACIJSA-N 2 1 325.541 3.124 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C)c1ccccc1 ZINC001179852701 1386607642 /nfs/dbraw/zinc/60/76/42/1386607642.db2.gz YZNXYJQIGXBBQY-UHOSZYNNSA-N 2 1 331.504 3.059 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)[C@@H]1C ZINC001179976201 1386655452 /nfs/dbraw/zinc/65/54/52/1386655452.db2.gz JPJUKMMAOJCVTF-QYLKWSRPSA-N 2 1 343.515 3.011 20 0 EGADMP CCC/C=C\CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)CCC ZINC001180123564 1386703844 /nfs/dbraw/zinc/70/38/44/1386703844.db2.gz HNMQKLFXKUIGSS-FPLPWBNLSA-N 2 1 325.541 3.341 20 0 EGADMP CC[C@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C)c1ccc(F)cc1 ZINC001180226722 1386738495 /nfs/dbraw/zinc/73/84/95/1386738495.db2.gz ITORDWDKCKXIQK-SNRMKQJTSA-N 2 1 349.494 3.196 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCCCCCNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001180264821 1386750291 /nfs/dbraw/zinc/75/02/91/1386750291.db2.gz LJVWOZNCFBMCSG-ICSRJNTNSA-N 2 1 345.531 3.274 20 0 EGADMP C[N@@H+](CC(=O)NCC1CC[NH+](C2CCCCC2)CC1)C1CCCC1 ZINC001180629910 1386853176 /nfs/dbraw/zinc/85/31/76/1386853176.db2.gz DTSUMPBONWMFSX-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC2CCC2)C1 ZINC001182614745 1387197000 /nfs/dbraw/zinc/19/70/00/1387197000.db2.gz PJEFILXSYYODOO-LVCYWYKZSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001182623064 1387198334 /nfs/dbraw/zinc/19/83/34/1387198334.db2.gz AEIOBPOGOFEYJI-MBOZVWFJSA-N 2 1 339.568 3.085 20 0 EGADMP CCOc1c(OC)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1OC ZINC001329434969 1389110383 /nfs/dbraw/zinc/11/03/83/1389110383.db2.gz ZRSMMTDBUGMWTN-UHFFFAOYSA-N 2 1 348.487 3.068 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2CC)CC1 ZINC001698715846 1406359087 /nfs/dbraw/zinc/35/90/87/1406359087.db2.gz AOTRIJHRMBCCRO-MXVIHJGJSA-N 2 1 345.531 3.108 20 0 EGADMP C[C@H](CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001331000302 1389592245 /nfs/dbraw/zinc/59/22/45/1389592245.db2.gz NGPCASAXNNNOCI-ZIAGYGMSSA-N 2 1 337.895 3.366 20 0 EGADMP C[N@@H+](CCCC1CCC1)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001331054825 1389613220 /nfs/dbraw/zinc/61/32/20/1389613220.db2.gz VYNGVUNXJRIWBM-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)[C@@H](C)c2cccc(F)c2)CC1 ZINC001331069553 1389618939 /nfs/dbraw/zinc/61/89/39/1389618939.db2.gz YXVYLZVJAWJBTQ-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC001331291400 1389688644 /nfs/dbraw/zinc/68/86/44/1389688644.db2.gz WRYNXOZBKYEDNW-JXFKEZNVSA-N 2 1 343.515 3.059 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@H]2C)cs1 ZINC001332183539 1390026954 /nfs/dbraw/zinc/02/69/54/1390026954.db2.gz DDGJMBJRCNZUDA-NVXWUHKLSA-N 2 1 349.544 3.010 20 0 EGADMP Cn1cc(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001332387830 1390103025 /nfs/dbraw/zinc/10/30/25/1390103025.db2.gz TXBIOGSJIUUQDD-SEJPIABJSA-N 2 1 338.499 3.138 20 0 EGADMP COC(=O)c1cccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)c1 ZINC001339689823 1390107509 /nfs/dbraw/zinc/10/75/09/1390107509.db2.gz VCJLZPRSUWCRDW-UHFFFAOYSA-N 2 1 326.440 3.085 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCSCCC[NH3+])cc1 ZINC001340153498 1390238090 /nfs/dbraw/zinc/23/80/90/1390238090.db2.gz BWNZQZXHJBFXIX-MRXNPFEDSA-N 2 1 349.544 3.472 20 0 EGADMP FC(F)(F)c1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC001333600007 1390349853 /nfs/dbraw/zinc/34/98/53/1390349853.db2.gz YZXXADKEMZKLFV-CABCVRRESA-N 2 1 327.394 3.358 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnn(-c4ccc(F)cc4)c3)C[C@@H]2C1 ZINC001333839649 1390419874 /nfs/dbraw/zinc/41/98/74/1390419874.db2.gz AAFWEIUVXCINPC-FUHIMQAGSA-N 2 1 342.462 3.174 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)n2)cc(OC)c1 ZINC001341568516 1390503487 /nfs/dbraw/zinc/50/34/87/1390503487.db2.gz ZAGQQNSTFZIILA-QGZVFWFLSA-N 2 1 341.455 3.484 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC001342063167 1390566950 /nfs/dbraw/zinc/56/69/50/1390566950.db2.gz MBFKESAJRGLIJP-JENIJYKNSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001342063167 1390566952 /nfs/dbraw/zinc/56/69/52/1390566952.db2.gz MBFKESAJRGLIJP-JENIJYKNSA-N 2 1 335.536 3.020 20 0 EGADMP Cn1cc(C[N@@H+]2C[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]3C2)c(C2CCCC2)n1 ZINC001335582975 1390706118 /nfs/dbraw/zinc/70/61/18/1390706118.db2.gz OSCQVYGUPLGVOJ-ZIFCJYIRSA-N 2 1 330.520 3.240 20 0 EGADMP CSC[C@H](CCO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001344032103 1390751506 /nfs/dbraw/zinc/75/15/06/1390751506.db2.gz OZTBOUMSFHZOQM-UMQXSMKFSA-N 2 1 348.556 3.276 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCC1([NH2+]CC2CC2)CCCC1)c1ccccc1 ZINC001698805504 1406486155 /nfs/dbraw/zinc/48/61/55/1406486155.db2.gz GLFPIKIKWOGXGP-LJQANCHMSA-N 2 1 343.515 3.108 20 0 EGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC001348853154 1391275752 /nfs/dbraw/zinc/27/57/52/1391275752.db2.gz RVOHUNYBJSWQMJ-WQVCFCJDSA-N 2 1 341.293 3.257 20 0 EGADMP Cc1cc(NC(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cc(C)[nH+]1 ZINC001348901156 1391281515 /nfs/dbraw/zinc/28/15/15/1391281515.db2.gz FUPSJPKAHBELKP-QFBILLFUSA-N 2 1 344.503 3.272 20 0 EGADMP CCC(CC)C[NH2+]C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001480299384 1392665594 /nfs/dbraw/zinc/66/55/94/1392665594.db2.gz ZYTQSCVMHLVVQQ-SFHVURJKSA-N 2 1 348.535 3.271 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH2+][C@H](CC)c2ccccc2)C1 ZINC001480304278 1392668240 /nfs/dbraw/zinc/66/82/40/1392668240.db2.gz WVWHEBZXOAPVJW-UYAOXDASSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001480575690 1392798401 /nfs/dbraw/zinc/79/84/01/1392798401.db2.gz UHNPCDSFVVKQTK-DNVCBOLYSA-N 2 1 349.494 3.029 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001480575694 1392798474 /nfs/dbraw/zinc/79/84/74/1392798474.db2.gz UHNPCDSFVVKQTK-KXBFYZLASA-N 2 1 349.494 3.029 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C[NH2+][C@H](C)c1ccccc1)CC(C)C ZINC001698878200 1406604787 /nfs/dbraw/zinc/60/47/87/1406604787.db2.gz JGXQXNJFBIRLKS-APWZRJJASA-N 2 1 342.487 3.073 20 0 EGADMP CC[C@H](C(=O)NCC[N@@H+](CC)Cc1cccc2ccccc21)[NH+](C)C ZINC001481012633 1393088404 /nfs/dbraw/zinc/08/84/04/1393088404.db2.gz RDGGBLUOHPACIY-HXUWFJFHSA-N 2 1 341.499 3.118 20 0 EGADMP CCC(CC)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001481370226 1394210430 /nfs/dbraw/zinc/21/04/30/1394210430.db2.gz ZJOBSWXSPBODAG-PMACEKPBSA-N 2 1 345.531 3.354 20 0 EGADMP CC1CC(C[N@@H+](C)CCC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001698951815 1406692368 /nfs/dbraw/zinc/69/23/68/1406692368.db2.gz KANOYJRKPGUMBA-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]Cc2ccccc2)CCCC1 ZINC001481896963 1394584946 /nfs/dbraw/zinc/58/49/46/1394584946.db2.gz JIGRTYNHSBFVIN-IBGZPJMESA-N 2 1 343.515 3.078 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC2(C1)CC[NH+](CCCC1CCC1)CC2 ZINC001483836611 1395104251 /nfs/dbraw/zinc/10/42/51/1395104251.db2.gz GBFXLPCLJJDLAD-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CCCC(C)(C)C)C2)C1)[NH+](C)C ZINC001483847741 1395115043 /nfs/dbraw/zinc/11/50/43/1395115043.db2.gz OYYUKYGUFXUXLS-PXNSSMCTSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)CC1)C1CCC1 ZINC001484717354 1395478043 /nfs/dbraw/zinc/47/80/43/1395478043.db2.gz WHGBILAMIGTHRW-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1)C1CCC1 ZINC001484717354 1395478048 /nfs/dbraw/zinc/47/80/48/1395478048.db2.gz WHGBILAMIGTHRW-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1)C1CCC1 ZINC001484717354 1395478049 /nfs/dbraw/zinc/47/80/49/1395478049.db2.gz WHGBILAMIGTHRW-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](CCC2CCCC2)CC1)C1CCC1 ZINC001484717357 1395478627 /nfs/dbraw/zinc/47/86/27/1395478627.db2.gz WHGBILAMIGTHRW-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)CC1)C1CCC1 ZINC001484717357 1395478632 /nfs/dbraw/zinc/47/86/32/1395478632.db2.gz WHGBILAMIGTHRW-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)CC1)C1CCC1 ZINC001484717357 1395478636 /nfs/dbraw/zinc/47/86/36/1395478636.db2.gz WHGBILAMIGTHRW-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1ccccc1 ZINC001698989035 1406775663 /nfs/dbraw/zinc/77/56/63/1406775663.db2.gz GRKJUPBHAWRBMX-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001698989035 1406775669 /nfs/dbraw/zinc/77/56/69/1406775669.db2.gz GRKJUPBHAWRBMX-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001698989035 1406775670 /nfs/dbraw/zinc/77/56/70/1406775670.db2.gz GRKJUPBHAWRBMX-PKOBYXMFSA-N 2 1 331.504 3.012 20 0 EGADMP Cc1cccc(C)c1C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001485349907 1395823839 /nfs/dbraw/zinc/82/38/39/1395823839.db2.gz JNXBFCIPYMQYHF-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1cccc(C)c1C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001485349907 1395823843 /nfs/dbraw/zinc/82/38/43/1395823843.db2.gz JNXBFCIPYMQYHF-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001485349907 1395823852 /nfs/dbraw/zinc/82/38/52/1395823852.db2.gz JNXBFCIPYMQYHF-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP CCCC[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001485461261 1395936052 /nfs/dbraw/zinc/93/60/52/1395936052.db2.gz GMASVOVOPCHWAN-RBUKOAKNSA-N 2 1 337.552 3.316 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCCCC[N@H+]1Cc1cccc(C)c1)[NH+](C)C ZINC001485483850 1395969791 /nfs/dbraw/zinc/96/97/91/1395969791.db2.gz COEMASYVNSHJQL-UXHICEINSA-N 2 1 345.531 3.196 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001698997314 1406797720 /nfs/dbraw/zinc/79/77/20/1406797720.db2.gz NJIDKWHTPVLNFZ-FQEVSTJZSA-N 2 1 345.531 3.260 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC2=CCCCC2)CC1(C)C)[NH+](C)C ZINC001485582614 1396059417 /nfs/dbraw/zinc/05/94/17/1396059417.db2.gz RYQRKZUZSKRTOE-MOPGFXCFSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](C)c1ccccc1F ZINC001492317129 1396319125 /nfs/dbraw/zinc/31/91/25/1396319125.db2.gz WEUPTBAXVAPZFP-QFBILLFUSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](C)c1ccccc1F ZINC001492317129 1396319126 /nfs/dbraw/zinc/31/91/26/1396319126.db2.gz WEUPTBAXVAPZFP-QFBILLFUSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1F ZINC001492317129 1396319127 /nfs/dbraw/zinc/31/91/27/1396319127.db2.gz WEUPTBAXVAPZFP-QFBILLFUSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC001492317129 1396319128 /nfs/dbraw/zinc/31/91/28/1396319128.db2.gz WEUPTBAXVAPZFP-QFBILLFUSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](Cc1ccccc1)C1CC1 ZINC001493423982 1396339685 /nfs/dbraw/zinc/33/96/85/1396339685.db2.gz OITMCMYQYZSYIP-FQEVSTJZSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](Cc1ccccc1)C1CC1 ZINC001493423982 1396339686 /nfs/dbraw/zinc/33/96/86/1396339686.db2.gz OITMCMYQYZSYIP-FQEVSTJZSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](Cc1ccccc1)C1CC1 ZINC001493423982 1396339687 /nfs/dbraw/zinc/33/96/87/1396339687.db2.gz OITMCMYQYZSYIP-FQEVSTJZSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001498488800 1397034165 /nfs/dbraw/zinc/03/41/65/1397034165.db2.gz JJAGSQSNQBORCA-HKUYNNGSSA-N 2 1 337.552 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCCCC2)CC1 ZINC001499243475 1397066018 /nfs/dbraw/zinc/06/60/18/1397066018.db2.gz HNFKEQZDAXHXIU-IBGZPJMESA-N 2 1 349.563 3.460 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001690029160 1404267928 /nfs/dbraw/zinc/26/79/28/1404267928.db2.gz VPHVPSQVMYRKSJ-FQEVSTJZSA-N 2 1 345.531 3.402 20 0 EGADMP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001690498429 1404611361 /nfs/dbraw/zinc/61/13/61/1404611361.db2.gz HZHLTHYEUXPQEW-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H](C)c1cccc(C)c1 ZINC001691020228 1404934321 /nfs/dbraw/zinc/93/43/21/1404934321.db2.gz PZSPJBYYMQUMKV-AZUAARDMSA-N 2 1 345.531 3.367 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@@H](C)c1cccc(C)c1 ZINC001691020228 1404934324 /nfs/dbraw/zinc/93/43/24/1404934324.db2.gz PZSPJBYYMQUMKV-AZUAARDMSA-N 2 1 345.531 3.367 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)[C@@H](C)c1cccc(C)c1 ZINC001691020228 1404934326 /nfs/dbraw/zinc/93/43/26/1404934326.db2.gz PZSPJBYYMQUMKV-AZUAARDMSA-N 2 1 345.531 3.367 20 0 EGADMP CC[C@@H](C(=O)NCC[N@@H+](CC)[C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001691047418 1404959579 /nfs/dbraw/zinc/95/95/79/1404959579.db2.gz BHGXFPXEPHRTAY-PBHICJAKSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]([C@H](C)c1ccccc1)C1CC1 ZINC001691211500 1405151769 /nfs/dbraw/zinc/15/17/69/1405151769.db2.gz UCWSEOYDDZBTCO-YLJYHZDGSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC001691211500 1405151772 /nfs/dbraw/zinc/15/17/72/1405151772.db2.gz UCWSEOYDDZBTCO-YLJYHZDGSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC001691211500 1405151777 /nfs/dbraw/zinc/15/17/77/1405151777.db2.gz UCWSEOYDDZBTCO-YLJYHZDGSA-N 2 1 343.515 3.203 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001691225344 1405165377 /nfs/dbraw/zinc/16/53/77/1405165377.db2.gz CIMAMBSKJJHVGB-KRWDZBQOSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001691225344 1405165382 /nfs/dbraw/zinc/16/53/82/1405165382.db2.gz CIMAMBSKJJHVGB-KRWDZBQOSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001691225344 1405165386 /nfs/dbraw/zinc/16/53/86/1405165386.db2.gz CIMAMBSKJJHVGB-KRWDZBQOSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+](CC/C=C\c1ccccc1)CCNC(=O)c1cc2c[nH]ccc-2n1 ZINC001731775929 1427893037 /nfs/dbraw/zinc/89/30/37/1427893037.db2.gz LUJSEVVOHBVHPX-UITAMQMPSA-N 2 1 348.450 3.328 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001698552327 1406150363 /nfs/dbraw/zinc/15/03/63/1406150363.db2.gz AFTOMTIDTHKATD-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC001698585095 1406200523 /nfs/dbraw/zinc/20/05/23/1406200523.db2.gz JVTZHYQSFCYNQO-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP CCCN(C(=O)C[N@H+](C)C1CCC1)[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001732038212 1428262131 /nfs/dbraw/zinc/26/21/31/1428262131.db2.gz DAQVFAIRYFBGKQ-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)C1CCC1)[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001732038212 1428262134 /nfs/dbraw/zinc/26/21/34/1428262134.db2.gz DAQVFAIRYFBGKQ-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001732038212 1428262129 /nfs/dbraw/zinc/26/21/29/1428262129.db2.gz DAQVFAIRYFBGKQ-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCN(C(=O)C[NH+](C)CCC)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001732041607 1428271433 /nfs/dbraw/zinc/27/14/33/1428271433.db2.gz SQHAVZHFNSTHRT-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCN(C(=O)C[N@H+](C)CCC)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001732041607 1428271434 /nfs/dbraw/zinc/27/14/34/1428271434.db2.gz SQHAVZHFNSTHRT-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CCC)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001732041607 1428271435 /nfs/dbraw/zinc/27/14/35/1428271435.db2.gz SQHAVZHFNSTHRT-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001732041915 1428272042 /nfs/dbraw/zinc/27/20/42/1428272042.db2.gz NGLPZEWFFDVVMN-LJQANCHMSA-N 2 1 349.494 3.034 20 0 EGADMP Cc1cccc(C[N@H+](C)CC2CCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001732087245 1428349462 /nfs/dbraw/zinc/34/94/62/1428349462.db2.gz JWCZRJORMBGDMQ-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP CCN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001732186754 1428436678 /nfs/dbraw/zinc/43/66/78/1428436678.db2.gz OAHGVSILBBAXHL-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](CNC(=O)Cn1cc[nH+]c1C(C)C)[NH2+]CC1CCCCC1 ZINC001732223265 1428472096 /nfs/dbraw/zinc/47/20/96/1428472096.db2.gz NGYNTVWNYYGYQS-QGZVFWFLSA-N 2 1 334.508 3.071 20 0 EGADMP C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001732488891 1428611618 /nfs/dbraw/zinc/61/16/18/1428611618.db2.gz ONNBXOSWAMFOCX-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001699450712 1412790147 /nfs/dbraw/zinc/79/01/47/1412790147.db2.gz LUWQCIMFWMTYDW-AWEZNQCLSA-N 2 1 330.476 3.129 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCCCC2)CC1 ZINC001699651613 1413034326 /nfs/dbraw/zinc/03/43/26/1413034326.db2.gz SXFYJJBNCVKXDU-IBGZPJMESA-N 2 1 349.563 3.458 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CC2CCC2)CC1 ZINC001732547120 1428723478 /nfs/dbraw/zinc/72/34/78/1428723478.db2.gz KPLDSVLXVVGOMM-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CC2CCC2)CC1 ZINC001732547120 1428723481 /nfs/dbraw/zinc/72/34/81/1428723481.db2.gz KPLDSVLXVVGOMM-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CC2CCC2)CC1 ZINC001732547120 1428723484 /nfs/dbraw/zinc/72/34/84/1428723484.db2.gz KPLDSVLXVVGOMM-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)C2 ZINC001699978003 1413421778 /nfs/dbraw/zinc/42/17/78/1413421778.db2.gz ZBDAIKNTJRCRCW-ACDBMABISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001700177765 1413587508 /nfs/dbraw/zinc/58/75/08/1413587508.db2.gz SRIXYPNHEQFQCE-MJGOQNOKSA-N 2 1 343.515 3.060 20 0 EGADMP C[N@@H+](CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CC1)C1CCCCC1 ZINC001700344956 1413830862 /nfs/dbraw/zinc/83/08/62/1413830862.db2.gz HDZRSFDRXRAWTI-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+](C)C/C=C/c1ccccc1 ZINC001700473513 1414095422 /nfs/dbraw/zinc/09/54/22/1414095422.db2.gz FFWXPRCKIFCQEY-LVMGUKCRSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@H+](C)C/C=C/c1ccccc1 ZINC001700473513 1414095424 /nfs/dbraw/zinc/09/54/24/1414095424.db2.gz FFWXPRCKIFCQEY-LVMGUKCRSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@@H+](C)C/C=C/c1ccccc1 ZINC001700473513 1414095431 /nfs/dbraw/zinc/09/54/31/1414095431.db2.gz FFWXPRCKIFCQEY-LVMGUKCRSA-N 2 1 345.531 3.114 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CCCCC[NH+]1C/C=C/Cl)CC(C)(C)C ZINC001700524889 1414184828 /nfs/dbraw/zinc/18/48/28/1414184828.db2.gz AOHUBIIIAPNNFB-DZZUKKPASA-N 2 1 343.943 3.078 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCCC[N@@H+]1C/C=C/Cl)CC(C)(C)C ZINC001700524889 1414184832 /nfs/dbraw/zinc/18/48/32/1414184832.db2.gz AOHUBIIIAPNNFB-DZZUKKPASA-N 2 1 343.943 3.078 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCCC[N@H+]1C/C=C/Cl)CC(C)(C)C ZINC001700524889 1414184834 /nfs/dbraw/zinc/18/48/34/1414184834.db2.gz AOHUBIIIAPNNFB-DZZUKKPASA-N 2 1 343.943 3.078 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001700621114 1414290718 /nfs/dbraw/zinc/29/07/18/1414290718.db2.gz KJVRZPOMHYSUJB-QWUACUGRSA-N 2 1 349.563 3.243 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCC1CCCC1 ZINC001713003424 1417557454 /nfs/dbraw/zinc/55/74/54/1417557454.db2.gz HIEHIKHHMVJROY-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP CC[C@@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001713269023 1417878477 /nfs/dbraw/zinc/87/84/77/1417878477.db2.gz QIGGPLSSTXXABC-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001713269023 1417878482 /nfs/dbraw/zinc/87/84/82/1417878482.db2.gz QIGGPLSSTXXABC-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001713271395 1417884107 /nfs/dbraw/zinc/88/41/07/1417884107.db2.gz IRMFCBUQUXSNIZ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H](C[N@@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001733065090 1429218083 /nfs/dbraw/zinc/21/80/83/1429218083.db2.gz FRGXDZQAPNRPQO-SJORKVTESA-N 2 1 349.494 3.199 20 0 EGADMP C[C@@H](C[N@@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001733065089 1429218119 /nfs/dbraw/zinc/21/81/19/1429218119.db2.gz FRGXDZQAPNRPQO-IRXDYDNUSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2ccc(C)cc2C)C1 ZINC001713399661 1418020523 /nfs/dbraw/zinc/02/05/23/1418020523.db2.gz QQLMAKXMWNFLQC-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C)cc2C)C1 ZINC001713399661 1418020524 /nfs/dbraw/zinc/02/05/24/1418020524.db2.gz QQLMAKXMWNFLQC-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C)cc2C)C1 ZINC001713399661 1418020529 /nfs/dbraw/zinc/02/05/29/1418020529.db2.gz QQLMAKXMWNFLQC-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001713719687 1418489366 /nfs/dbraw/zinc/48/93/66/1418489366.db2.gz FYEOODYIMKOBSI-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC12CC[NH+](CCCC(C)(C)C)CC2 ZINC001713848494 1418644250 /nfs/dbraw/zinc/64/42/50/1418644250.db2.gz AJLAWBVQVMXELJ-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccccc2C)C1 ZINC001714092500 1418886725 /nfs/dbraw/zinc/88/67/25/1418886725.db2.gz WJFMXSAYGCOYIR-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001714146506 1418951617 /nfs/dbraw/zinc/95/16/17/1418951617.db2.gz XJHNBAGNPGGRKK-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001714146506 1418951620 /nfs/dbraw/zinc/95/16/20/1418951620.db2.gz XJHNBAGNPGGRKK-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001714146506 1418951622 /nfs/dbraw/zinc/95/16/22/1418951622.db2.gz XJHNBAGNPGGRKK-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)[C@@H](CC)C1 ZINC001733196967 1429299669 /nfs/dbraw/zinc/29/96/69/1429299669.db2.gz HCRZXNVXGILKQQ-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP CC[C@@H](C(=O)N1CCC2(CC[N@@H+](CC3CCC3)C2)CC1)[NH+](CC)CC ZINC001714366095 1419125731 /nfs/dbraw/zinc/12/57/31/1419125731.db2.gz MAMUAJOKFQASHP-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CC2CCCCC2)C1 ZINC001714452485 1419184941 /nfs/dbraw/zinc/18/49/41/1419184941.db2.gz FDSUNUGVJPRAAG-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC001714452485 1419184943 /nfs/dbraw/zinc/18/49/43/1419184943.db2.gz FDSUNUGVJPRAAG-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001714452485 1419184945 /nfs/dbraw/zinc/18/49/45/1419184945.db2.gz FDSUNUGVJPRAAG-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2cc(C)cc(C)c2)CCCC1 ZINC001714510139 1419237682 /nfs/dbraw/zinc/23/76/82/1419237682.db2.gz SEDHQXYDVMFXPK-UHFFFAOYSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H](CC)c1ccc(F)cc1 ZINC001714645398 1419419960 /nfs/dbraw/zinc/41/99/60/1419419960.db2.gz NMWIXRHXCIKKCW-RBUKOAKNSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)[C@@H](CC)c1ccc(F)cc1 ZINC001714645398 1419419963 /nfs/dbraw/zinc/41/99/63/1419419963.db2.gz NMWIXRHXCIKKCW-RBUKOAKNSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)[C@@H](CC)c1ccc(F)cc1 ZINC001714645398 1419419967 /nfs/dbraw/zinc/41/99/67/1419419967.db2.gz NMWIXRHXCIKKCW-RBUKOAKNSA-N 2 1 349.494 3.199 20 0 EGADMP C[C@@H](C[NH2+]CC1CCC(C)(C)CC1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001714656663 1419438434 /nfs/dbraw/zinc/43/84/34/1419438434.db2.gz MCLVQMNJXQMNOS-INIZCTEOSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001714728425 1419485624 /nfs/dbraw/zinc/48/56/24/1419485624.db2.gz UIHSNYVBFYNQMD-VQIMIIECSA-N 2 1 349.494 3.055 20 0 EGADMP CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001714859140 1419578683 /nfs/dbraw/zinc/57/86/83/1419578683.db2.gz GKLUURVUQOPFMF-HXUWFJFHSA-N 2 1 345.531 3.331 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCC2CCCC2)C1 ZINC001715457502 1420138513 /nfs/dbraw/zinc/13/85/13/1420138513.db2.gz GRGPVZAVYSQAJS-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001715961174 1420428071 /nfs/dbraw/zinc/42/80/71/1420428071.db2.gz ZMODZSJNOUDBPK-VQIMIIECSA-N 2 1 349.494 3.009 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715961174 1420428074 /nfs/dbraw/zinc/42/80/74/1420428074.db2.gz ZMODZSJNOUDBPK-VQIMIIECSA-N 2 1 349.494 3.009 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001715961174 1420428075 /nfs/dbraw/zinc/42/80/75/1420428075.db2.gz ZMODZSJNOUDBPK-VQIMIIECSA-N 2 1 349.494 3.009 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001716507343 1420738230 /nfs/dbraw/zinc/73/82/30/1420738230.db2.gz CKWKLEAQOYQPAM-AZUAARDMSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C)c1ccc(F)cc1 ZINC001716549400 1420757491 /nfs/dbraw/zinc/75/74/91/1420757491.db2.gz VHUKLGJVRNJWDG-OALUTQOASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2CC)C[C@H]1C ZINC001716771068 1420915059 /nfs/dbraw/zinc/91/50/59/1420915059.db2.gz QXOLFJNFNZZPAS-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP Cc1cc(C[NH+]2CCC(C)(NC(=O)C[N@H+](C)C3CCC3)CC2)cs1 ZINC001716796185 1420928865 /nfs/dbraw/zinc/92/88/65/1420928865.db2.gz QTMWGANGOJEBFI-UHFFFAOYSA-N 2 1 349.544 3.012 20 0 EGADMP CC[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CCC2CCCCCC2)C1)[NH+](C)C ZINC001716849376 1420978944 /nfs/dbraw/zinc/97/89/44/1420978944.db2.gz WKUHSQBNYAYGGI-ICSRJNTNSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001733286980 1429461772 /nfs/dbraw/zinc/46/17/72/1429461772.db2.gz VZNHPFKCHIDLCJ-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP Cc1ccc(C)c(C[N@H+](C)C[C@H]2CCCN2C(=O)CCC[NH+](C)C)c1 ZINC001717370853 1421309332 /nfs/dbraw/zinc/30/93/32/1421309332.db2.gz JRLJOCJVVQHZOX-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1cccc([C@@H](C)[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001717487700 1421424508 /nfs/dbraw/zinc/42/45/08/1421424508.db2.gz LDHNZQAQGGWVDA-QZTJIDSGSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001717487700 1421424511 /nfs/dbraw/zinc/42/45/11/1421424511.db2.gz LDHNZQAQGGWVDA-QZTJIDSGSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001717487700 1421424514 /nfs/dbraw/zinc/42/45/14/1421424514.db2.gz LDHNZQAQGGWVDA-QZTJIDSGSA-N 2 1 347.547 3.470 20 0 EGADMP CCCC[C@@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001717532091 1421468459 /nfs/dbraw/zinc/46/84/59/1421468459.db2.gz YPEQCRHNTVSDFS-VQTJNVASSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC1(C)CC[NH+](CC2CC(C)C2)CC1 ZINC001733361506 1429545999 /nfs/dbraw/zinc/54/59/99/1429545999.db2.gz ZEVJQZBVMDHKNI-UHFFFAOYSA-N 2 1 346.519 3.023 20 0 EGADMP CC[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1[NH2+]C(C)C ZINC001723377183 1424377548 /nfs/dbraw/zinc/37/75/48/1424377548.db2.gz JFHSHJDAQAVZMD-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001723483893 1424435955 /nfs/dbraw/zinc/43/59/55/1424435955.db2.gz KZDMLWPMWQUKPX-RTBURBONSA-N 2 1 343.515 3.123 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001723578759 1424473089 /nfs/dbraw/zinc/47/30/89/1424473089.db2.gz RVPYRXIDTRFWAW-UHFFFAOYSA-N 2 1 345.531 3.064 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001724183722 1424717967 /nfs/dbraw/zinc/71/79/67/1424717967.db2.gz LBLORVFBYXCGQD-UYAOXDASSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+]([C@H](CC)c2ccccc2)C1 ZINC001724183722 1424717968 /nfs/dbraw/zinc/71/79/68/1424717968.db2.gz LBLORVFBYXCGQD-UYAOXDASSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC001724183722 1424717969 /nfs/dbraw/zinc/71/79/69/1424717969.db2.gz LBLORVFBYXCGQD-UYAOXDASSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001724188453 1424720637 /nfs/dbraw/zinc/72/06/37/1424720637.db2.gz GLLPRJLSXHJWBX-WIYYLYMNSA-N 2 1 343.515 3.204 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001724188449 1424720882 /nfs/dbraw/zinc/72/08/82/1424720882.db2.gz GLLPRJLSXHJWBX-NQIIRXRSSA-N 2 1 343.515 3.204 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCC1 ZINC001724783246 1425149295 /nfs/dbraw/zinc/14/92/95/1425149295.db2.gz IUSWKGSUULIAFK-IBGZPJMESA-N 2 1 349.563 3.458 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1cc(C)ccc1C ZINC001725051146 1425483526 /nfs/dbraw/zinc/48/35/26/1425483526.db2.gz CDOUXSOQMWVHHN-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(C)ccc1C ZINC001725051146 1425483528 /nfs/dbraw/zinc/48/35/28/1425483528.db2.gz CDOUXSOQMWVHHN-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(C)ccc1C ZINC001725051146 1425483530 /nfs/dbraw/zinc/48/35/30/1425483530.db2.gz CDOUXSOQMWVHHN-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+](C)CC1CC(C)C1 ZINC001725170128 1425677444 /nfs/dbraw/zinc/67/74/44/1425677444.db2.gz LVWMVSGGOSOCMF-ADKAHSJRSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@H+](C)CC1CC(C)C1 ZINC001725170128 1425677452 /nfs/dbraw/zinc/67/74/52/1425677452.db2.gz LVWMVSGGOSOCMF-ADKAHSJRSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@@H+](C)CC1CC(C)C1 ZINC001725170128 1425677454 /nfs/dbraw/zinc/67/74/54/1425677454.db2.gz LVWMVSGGOSOCMF-ADKAHSJRSA-N 2 1 337.552 3.124 20 0 EGADMP CC1CC(C[N@H+]2CCCCC[C@@H]2CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001725243366 1425856077 /nfs/dbraw/zinc/85/60/77/1425856077.db2.gz SXOVDXAGKRXOPB-LYBXBRPPSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001725244077 1425857925 /nfs/dbraw/zinc/85/79/25/1425857925.db2.gz XDXYLLLOIGRERJ-RTBURBONSA-N 2 1 339.568 3.370 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001725657156 1426339971 /nfs/dbraw/zinc/33/99/71/1426339971.db2.gz UGXPEZCWHXSBIP-RBUKOAKNSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC12CC[NH+](CC1CCCCCC1)CC2 ZINC001731385795 1427330776 /nfs/dbraw/zinc/33/07/76/1427330776.db2.gz NVTCPEBKOIEJEV-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CCC1CCCCCC1 ZINC001731619434 1427667887 /nfs/dbraw/zinc/66/78/87/1427667887.db2.gz WRYXGPICHUXBSI-KRWDZBQOSA-N 2 1 339.568 3.419 20 0 EGADMP CC[C@@H]([NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC001731637277 1427693850 /nfs/dbraw/zinc/69/38/50/1427693850.db2.gz MSAFHLNZHMGCAB-CXAGYDPISA-N 2 1 348.878 3.091 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001733761737 1429977386 /nfs/dbraw/zinc/97/73/86/1429977386.db2.gz ADYXVKQRPXOYJQ-QUCCMNQESA-N 2 1 345.531 3.369 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@H](C)c1cccc(Cl)c1 ZINC001734055709 1437846279 /nfs/dbraw/zinc/84/62/79/1437846279.db2.gz BNQSHYPAZVXAQL-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001734055709 1437846282 /nfs/dbraw/zinc/84/62/82/1437846282.db2.gz BNQSHYPAZVXAQL-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001734055709 1437846284 /nfs/dbraw/zinc/84/62/84/1437846284.db2.gz BNQSHYPAZVXAQL-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001734062524 1437856812 /nfs/dbraw/zinc/85/68/12/1437856812.db2.gz RFAPNJLGKNWADO-APWZRJJASA-N 2 1 347.547 3.261 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCCNC(=O)C[C@@H]2CC[NH+](C)C2)c1 ZINC001752098469 1440140516 /nfs/dbraw/zinc/14/05/16/1440140516.db2.gz JGQQCQSNJXRNON-MOPGFXCFSA-N 2 1 345.531 3.144 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+](C)CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001752098469 1440140517 /nfs/dbraw/zinc/14/05/17/1440140517.db2.gz JGQQCQSNJXRNON-MOPGFXCFSA-N 2 1 345.531 3.144 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+](C)CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001752098469 1440140518 /nfs/dbraw/zinc/14/05/18/1440140518.db2.gz JGQQCQSNJXRNON-MOPGFXCFSA-N 2 1 345.531 3.144 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001752120810 1440142726 /nfs/dbraw/zinc/14/27/26/1440142726.db2.gz CIZHSLBHDHAKCW-GOSISDBHSA-N 2 1 331.504 3.062 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001752427276 1440177655 /nfs/dbraw/zinc/17/76/55/1440177655.db2.gz OHRMDJIUSHZKEF-GOSISDBHSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CCC3CCCC3)CC[C@@H]21 ZINC001752706869 1440202816 /nfs/dbraw/zinc/20/28/16/1440202816.db2.gz KKQPLHFDEUJZFC-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]2C[N@H+](CCC3CCCC3)CC[C@@H]21 ZINC001752706869 1440202817 /nfs/dbraw/zinc/20/28/17/1440202817.db2.gz KKQPLHFDEUJZFC-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]2C[N@@H+](CCC3CCCC3)CC[C@@H]21 ZINC001752706869 1440202818 /nfs/dbraw/zinc/20/28/18/1440202818.db2.gz KKQPLHFDEUJZFC-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCCC(C)C)C1 ZINC001752814311 1440217537 /nfs/dbraw/zinc/21/75/37/1440217537.db2.gz GMBYLUYQFLJMSQ-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1cccc(C)c1C[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001752825676 1440223586 /nfs/dbraw/zinc/22/35/86/1440223586.db2.gz YMILTRJFUPJRLS-LJQANCHMSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1cccc(C)c1C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001752825676 1440223587 /nfs/dbraw/zinc/22/35/87/1440223587.db2.gz YMILTRJFUPJRLS-LJQANCHMSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1cccc(C)c1C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001752825676 1440223588 /nfs/dbraw/zinc/22/35/88/1440223588.db2.gz YMILTRJFUPJRLS-LJQANCHMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001752827363 1440224173 /nfs/dbraw/zinc/22/41/73/1440224173.db2.gz AIMAIMSPSVQPJE-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001752939252 1440250735 /nfs/dbraw/zinc/25/07/35/1440250735.db2.gz YGDLFCFBOAJOLD-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+](CCCC1CCCC1)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001752993493 1440260565 /nfs/dbraw/zinc/26/05/65/1440260565.db2.gz HVDSWISUFMQXOV-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001752993493 1440260566 /nfs/dbraw/zinc/26/05/66/1440260566.db2.gz HVDSWISUFMQXOV-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001752993493 1440260567 /nfs/dbraw/zinc/26/05/67/1440260567.db2.gz HVDSWISUFMQXOV-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CCC1 ZINC001753028496 1440272318 /nfs/dbraw/zinc/27/23/18/1440272318.db2.gz HSAACGRRNRAHDZ-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCC1 ZINC001753028496 1440272319 /nfs/dbraw/zinc/27/23/19/1440272319.db2.gz HSAACGRRNRAHDZ-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCC1 ZINC001753028496 1440272320 /nfs/dbraw/zinc/27/23/20/1440272320.db2.gz HSAACGRRNRAHDZ-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001753094806 1440301982 /nfs/dbraw/zinc/30/19/82/1440301982.db2.gz JAJWYMIORNBIFV-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001753094806 1440301983 /nfs/dbraw/zinc/30/19/83/1440301983.db2.gz JAJWYMIORNBIFV-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001753094806 1440301984 /nfs/dbraw/zinc/30/19/84/1440301984.db2.gz JAJWYMIORNBIFV-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP CC1CC(C[N@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001753131303 1440316852 /nfs/dbraw/zinc/31/68/52/1440316852.db2.gz RHNXAPIKHVDQHX-XBMUEBEBSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CC(C[NH+]2CC[C@@H](CNC(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001753131303 1440316853 /nfs/dbraw/zinc/31/68/53/1440316853.db2.gz RHNXAPIKHVDQHX-XBMUEBEBSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CC(C[NH+]2CC[C@@H](CNC(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001753131303 1440316854 /nfs/dbraw/zinc/31/68/54/1440316854.db2.gz RHNXAPIKHVDQHX-XBMUEBEBSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001753136193 1440319034 /nfs/dbraw/zinc/31/90/34/1440319034.db2.gz UJLUGZLFJRVREP-NHQAVIFJSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001753136193 1440319035 /nfs/dbraw/zinc/31/90/35/1440319035.db2.gz UJLUGZLFJRVREP-NHQAVIFJSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001753136193 1440319036 /nfs/dbraw/zinc/31/90/36/1440319036.db2.gz UJLUGZLFJRVREP-NHQAVIFJSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC1CCCC1 ZINC001753149252 1440326750 /nfs/dbraw/zinc/32/67/50/1440326750.db2.gz WYWIVHXHRKVXGW-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001753155131 1440330429 /nfs/dbraw/zinc/33/04/29/1440330429.db2.gz BOAPQPKICOIRPH-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CCCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001753325775 1440366636 /nfs/dbraw/zinc/36/66/36/1440366636.db2.gz DGGCTFNSHGZLRW-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)[C@H]1CC[NH+](CCCC(C)C)C1 ZINC001753325775 1440366637 /nfs/dbraw/zinc/36/66/37/1440366637.db2.gz DGGCTFNSHGZLRW-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCCN(C(=O)C[N@H+]1CC[C@H](C)C1)[C@H]1CC[NH+](CCCC(C)C)C1 ZINC001753325775 1440366638 /nfs/dbraw/zinc/36/66/38/1440366638.db2.gz DGGCTFNSHGZLRW-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC001753327269 1440367381 /nfs/dbraw/zinc/36/73/81/1440367381.db2.gz JPVIARDLLCZLDC-CTWPCTMYSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](CCC1CCCC1)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001753367553 1440386299 /nfs/dbraw/zinc/38/62/99/1440386299.db2.gz OJTHCWOGWUXTNI-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCC1CCCC1)CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001753367553 1440386300 /nfs/dbraw/zinc/38/63/00/1440386300.db2.gz OJTHCWOGWUXTNI-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCC1CCCC1)CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001753367553 1440386301 /nfs/dbraw/zinc/38/63/01/1440386301.db2.gz OJTHCWOGWUXTNI-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001753645212 1440455612 /nfs/dbraw/zinc/45/56/12/1440455612.db2.gz UTRDIQWMWWFCAO-KRWDZBQOSA-N 2 1 347.547 3.166 20 0 EGADMP C[N@@H+](CC(=O)NCC1([NH2+]CC2CCCCCC2)CCCC1)C1CCC1 ZINC001753663988 1440459623 /nfs/dbraw/zinc/45/96/23/1440459623.db2.gz LXAJLHIGIBADNK-UHFFFAOYSA-N 2 1 349.563 3.460 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2([NH2+]CCC(C)C)CCCC2)C1 ZINC001753668375 1440461094 /nfs/dbraw/zinc/46/10/94/1440461094.db2.gz XPFKODRZFNJCQO-SFHVURJKSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CC2CCCCCC2)CCCC1 ZINC001753671390 1440462189 /nfs/dbraw/zinc/46/21/89/1440462189.db2.gz XXRRZNHCIOQUFG-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH2+]CC2CCC2)C2CCCCC2)CC[N@H+]1C ZINC001753748143 1440481775 /nfs/dbraw/zinc/48/17/75/1440481775.db2.gz HMYKKDAUGJTPCV-VDGAXYAQSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)[NH2+]CC[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001753782221 1440487440 /nfs/dbraw/zinc/48/74/40/1440487440.db2.gz CXESSNVHINEWOG-LJQANCHMSA-N 2 1 337.552 3.410 20 0 EGADMP C[C@@H](F)CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001753794972 1440489562 /nfs/dbraw/zinc/48/95/62/1440489562.db2.gz FIXIZYBSXSOIBE-IAGOWNOFSA-N 2 1 343.531 3.073 20 0 EGADMP CC(C)CC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001753852916 1440507631 /nfs/dbraw/zinc/50/76/31/1440507631.db2.gz DYQUFCWHHWTUBK-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001753852916 1440507632 /nfs/dbraw/zinc/50/76/32/1440507632.db2.gz DYQUFCWHHWTUBK-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001753852916 1440507633 /nfs/dbraw/zinc/50/76/33/1440507633.db2.gz DYQUFCWHHWTUBK-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1cc(C)ccc1C)C(=O)Cn1cc[nH+]c1C ZINC001754082157 1440539644 /nfs/dbraw/zinc/53/96/44/1440539644.db2.gz RHKMNFVALCDTHF-QGZVFWFLSA-N 2 1 342.487 3.008 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC1CCCCC1 ZINC001754119919 1440542803 /nfs/dbraw/zinc/54/28/03/1440542803.db2.gz OMWOXARCSXZWTE-RURPWVQCSA-N 2 1 335.536 3.092 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C(C)C ZINC001754296585 1440566417 /nfs/dbraw/zinc/56/64/17/1440566417.db2.gz RDYQRTNZWFDALF-PXNSSMCTSA-N 2 1 345.531 3.279 20 0 EGADMP CCCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001754310618 1440573114 /nfs/dbraw/zinc/57/31/14/1440573114.db2.gz JKTSPTTUESZULZ-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001754310618 1440573115 /nfs/dbraw/zinc/57/31/15/1440573115.db2.gz JKTSPTTUESZULZ-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001754310618 1440573116 /nfs/dbraw/zinc/57/31/16/1440573116.db2.gz JKTSPTTUESZULZ-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCCN(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC001754416797 1440596924 /nfs/dbraw/zinc/59/69/24/1440596924.db2.gz TXXJBXMFDDHGMC-KDURUIRLSA-N 2 1 345.531 3.114 20 0 EGADMP CC[C@H](C)C[NH+]1CCC(C)(NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001754629720 1440647378 /nfs/dbraw/zinc/64/73/78/1440647378.db2.gz KJLQPRQCUKQLFV-SFHVURJKSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@H](C)C[NH+]1CCC(C)(NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001754629720 1440647379 /nfs/dbraw/zinc/64/73/79/1440647379.db2.gz KJLQPRQCUKQLFV-SFHVURJKSA-N 2 1 345.531 3.135 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001754661508 1440655140 /nfs/dbraw/zinc/65/51/40/1440655140.db2.gz GLVPKGTYUVTLGQ-YAQIIAKESA-N 2 1 349.563 3.389 20 0 EGADMP C[NH+](C)CCC(=O)N1CCCC[C@]2(CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001754662444 1440655528 /nfs/dbraw/zinc/65/55/28/1440655528.db2.gz ZONOFWBDUOCIOF-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP C[NH+](C)CCC(=O)N1CCCC[C@@]2(CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001754662443 1440655630 /nfs/dbraw/zinc/65/56/30/1440655630.db2.gz ZONOFWBDUOCIOF-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001754682798 1440663458 /nfs/dbraw/zinc/66/34/58/1440663458.db2.gz FHNVSFVNSYCLOZ-UZLBHIALSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC001754682798 1440663459 /nfs/dbraw/zinc/66/34/59/1440663459.db2.gz FHNVSFVNSYCLOZ-UZLBHIALSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC001754682798 1440663460 /nfs/dbraw/zinc/66/34/60/1440663460.db2.gz FHNVSFVNSYCLOZ-UZLBHIALSA-N 2 1 349.494 3.199 20 0 EGADMP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001754696038 1440667024 /nfs/dbraw/zinc/66/70/24/1440667024.db2.gz VRNWQWIXPPXVFL-GHTZIAJQSA-N 2 1 349.563 3.269 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@@]2(C)CCC[N@@H+](CC3CCCC3)C2)CC1 ZINC001754732240 1440680136 /nfs/dbraw/zinc/68/01/36/1440680136.db2.gz QIOOJGTXHPYHKY-OAQYLSRUSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001754914776 1440708462 /nfs/dbraw/zinc/70/84/62/1440708462.db2.gz MICNAKMUDRTDLQ-MJGOQNOKSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001754919110 1440709129 /nfs/dbraw/zinc/70/91/29/1440709129.db2.gz MHUSJRGKMDNEQZ-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001755026776 1440729147 /nfs/dbraw/zinc/72/91/47/1440729147.db2.gz WUBHRAKGGIJLEI-GOSISDBHSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)CC2)c1 ZINC001755027526 1440729709 /nfs/dbraw/zinc/72/97/09/1440729709.db2.gz BHNFHNPYHOVQKN-MOPGFXCFSA-N 2 1 345.531 3.287 20 0 EGADMP CC(C)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001755037326 1440735214 /nfs/dbraw/zinc/73/52/14/1440735214.db2.gz VAMZTHDUZPNXJM-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755037326 1440735215 /nfs/dbraw/zinc/73/52/15/1440735215.db2.gz VAMZTHDUZPNXJM-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755037326 1440735216 /nfs/dbraw/zinc/73/52/16/1440735216.db2.gz VAMZTHDUZPNXJM-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(CC)([NH2+]CCC(C)(C)C)CC1 ZINC001755073301 1440747447 /nfs/dbraw/zinc/74/74/47/1440747447.db2.gz OIACSKWOLGQKII-UHFFFAOYSA-N 2 1 325.541 3.125 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC(C)([NH2+]CCC2CCCC2)CC1 ZINC001755129957 1440756971 /nfs/dbraw/zinc/75/69/71/1440756971.db2.gz ZLVSREQEULCDPK-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)CC2(C)C)CCCCC1 ZINC001755141545 1440760596 /nfs/dbraw/zinc/76/05/96/1440760596.db2.gz NEIWQPZBFQGZIO-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)Cc1cccc(C)c1 ZINC001755202038 1440780363 /nfs/dbraw/zinc/78/03/63/1440780363.db2.gz YKNRGHNOUZKRNX-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1cccc(C)c1 ZINC001755202038 1440780364 /nfs/dbraw/zinc/78/03/64/1440780364.db2.gz YKNRGHNOUZKRNX-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cccc(C)c1 ZINC001755202038 1440780365 /nfs/dbraw/zinc/78/03/65/1440780365.db2.gz YKNRGHNOUZKRNX-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP C[C@H](F)CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001755208793 1440782599 /nfs/dbraw/zinc/78/25/99/1440782599.db2.gz AZPNFAULMLHEJR-QFBILLFUSA-N 2 1 349.494 3.033 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CC1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001755213230 1440783589 /nfs/dbraw/zinc/78/35/89/1440783589.db2.gz YPPOKSMAOSSLGP-WWDZGPRUSA-N 2 1 343.515 3.025 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C1CCC([NH2+]C(C)C)CC1 ZINC001755274023 1440798435 /nfs/dbraw/zinc/79/84/35/1440798435.db2.gz MRBRRSFXNSCULH-KLAILNCOSA-N 2 1 334.508 3.164 20 0 EGADMP CC(C)[NH2+]C1CCC(N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001755274492 1440798531 /nfs/dbraw/zinc/79/85/31/1440798531.db2.gz GBJYHQLTUUJDIU-UHFFFAOYSA-N 2 1 337.552 3.407 20 0 EGADMP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@@H+](C)CC1CC(C)(C)C1 ZINC001755327011 1440822333 /nfs/dbraw/zinc/82/23/33/1440822333.db2.gz CTDYYEFHIJJCAQ-INIZCTEOSA-N 2 1 345.531 3.235 20 0 EGADMP CCCCC[N@@H+]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001755415391 1440848232 /nfs/dbraw/zinc/84/82/32/1440848232.db2.gz HTKIBQGUJSSYEW-OALUTQOASA-N 2 1 345.531 3.306 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001755415391 1440848233 /nfs/dbraw/zinc/84/82/33/1440848233.db2.gz HTKIBQGUJSSYEW-OALUTQOASA-N 2 1 345.531 3.306 20 0 EGADMP CCCCC[N@@H+]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001755415393 1440848357 /nfs/dbraw/zinc/84/83/57/1440848357.db2.gz HTKIBQGUJSSYEW-RBUKOAKNSA-N 2 1 345.531 3.306 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001755415393 1440848358 /nfs/dbraw/zinc/84/83/58/1440848358.db2.gz HTKIBQGUJSSYEW-RBUKOAKNSA-N 2 1 345.531 3.306 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001755416454 1440849175 /nfs/dbraw/zinc/84/91/75/1440849175.db2.gz UGBNLOTVSDOIPB-VANUVFSVSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC001755416454 1440849176 /nfs/dbraw/zinc/84/91/76/1440849176.db2.gz UGBNLOTVSDOIPB-VANUVFSVSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC001755416454 1440849177 /nfs/dbraw/zinc/84/91/77/1440849177.db2.gz UGBNLOTVSDOIPB-VANUVFSVSA-N 2 1 349.563 3.434 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C2CC2)N(C)C(=O)C[N@H+](C)C(C)C)c1 ZINC001755573751 1440877626 /nfs/dbraw/zinc/87/76/26/1440877626.db2.gz TXYLNZWDQJXICP-XLIONFOSSA-N 2 1 345.531 3.223 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CC)cc2)[C@@H]1C ZINC001755662455 1440892882 /nfs/dbraw/zinc/89/28/82/1440892882.db2.gz DQHLPVLBEZSCPE-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C[C@@H]1C ZINC001755690412 1440896679 /nfs/dbraw/zinc/89/66/79/1440896679.db2.gz OBMSEPRKRGXUDQ-OALUTQOASA-N 2 1 345.531 3.033 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC2CCCCCC2)C[C@H]1C ZINC001755690868 1440896718 /nfs/dbraw/zinc/89/67/18/1440896718.db2.gz ZALJHDBCOBUOLM-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1cc(C)c(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)c(C)c1 ZINC001755692309 1440896993 /nfs/dbraw/zinc/89/69/93/1440896993.db2.gz JKKBPEHORVVTCU-RBUKOAKNSA-N 2 1 345.531 3.031 20 0 EGADMP CCCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC001755701783 1440900517 /nfs/dbraw/zinc/90/05/17/1440900517.db2.gz RPRZGMXNUIPVPH-IRFCIJBXSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@H]12 ZINC001755701783 1440900518 /nfs/dbraw/zinc/90/05/18/1440900518.db2.gz RPRZGMXNUIPVPH-IRFCIJBXSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+](CCC)C3)CCC[C@H]12 ZINC001755701783 1440900519 /nfs/dbraw/zinc/90/05/19/1440900519.db2.gz RPRZGMXNUIPVPH-IRFCIJBXSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1CC1CCCCCC1 ZINC001755722832 1440908140 /nfs/dbraw/zinc/90/81/40/1440908140.db2.gz OTILJTRUZMDWMX-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC001755723482 1440908672 /nfs/dbraw/zinc/90/86/72/1440908672.db2.gz PWWOVJFJYGQJQI-ICSRJNTNSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC001755723482 1440908673 /nfs/dbraw/zinc/90/86/73/1440908673.db2.gz PWWOVJFJYGQJQI-ICSRJNTNSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001755723482 1440908674 /nfs/dbraw/zinc/90/86/74/1440908674.db2.gz PWWOVJFJYGQJQI-ICSRJNTNSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001755723482 1440908675 /nfs/dbraw/zinc/90/86/75/1440908675.db2.gz PWWOVJFJYGQJQI-ICSRJNTNSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC001755756837 1440914179 /nfs/dbraw/zinc/91/41/79/1440914179.db2.gz HDDHCBOJKUORDR-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1(C)C ZINC001755766543 1440916374 /nfs/dbraw/zinc/91/63/74/1440916374.db2.gz MHNXGXHNGCJPKO-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001755839944 1440931226 /nfs/dbraw/zinc/93/12/26/1440931226.db2.gz OHJZNOVTJVLCJZ-KRWDZBQOSA-N 2 1 325.541 3.027 20 0 EGADMP CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001755846686 1440933581 /nfs/dbraw/zinc/93/35/81/1440933581.db2.gz KCPAUSPQASYQTF-AQIYZVDXSA-N 2 1 349.563 3.432 20 0 EGADMP O[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000368470576 168360824 /nfs/dbraw/zinc/36/08/24/168360824.db2.gz NVLDAUYEJRKTBW-VNXMGFANSA-N 2 1 342.527 3.428 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000368506619 168365444 /nfs/dbraw/zinc/36/54/44/168365444.db2.gz DTQKXDOPPLIMTM-HKBOAZHASA-N 2 1 339.483 3.476 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000368506619 168365445 /nfs/dbraw/zinc/36/54/45/168365445.db2.gz DTQKXDOPPLIMTM-HKBOAZHASA-N 2 1 339.483 3.476 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccncc3)CC2)oc1C ZINC000174080893 231116132 /nfs/dbraw/zinc/11/61/32/231116132.db2.gz CXZDFQQJTRXRLC-HNNXBMFYSA-N 2 1 328.460 3.249 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000181676828 529999959 /nfs/dbraw/zinc/99/99/59/529999959.db2.gz QQEXMOACRRVLCY-OAQYLSRUSA-N 2 1 346.515 3.374 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CC2CC[NH+](C)CC2)cc1)C(C)C ZINC000103450915 219301557 /nfs/dbraw/zinc/30/15/57/219301557.db2.gz DCISJBGLOYCDHS-UHFFFAOYSA-N 2 1 345.531 3.331 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000343444183 283187961 /nfs/dbraw/zinc/18/79/61/283187961.db2.gz VYFWHMDIWDERNM-OAQYLSRUSA-N 2 1 343.515 3.134 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000343444161 283187978 /nfs/dbraw/zinc/18/79/78/283187978.db2.gz VYFWHMDIWDERNM-NRFANRHFSA-N 2 1 343.515 3.134 20 0 EGADMP Cc1ccc([C@H]([NH3+])C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000262689655 245122133 /nfs/dbraw/zinc/12/21/33/245122133.db2.gz ZDBZKRLQLNGCKS-FQEVSTJZSA-N 2 1 339.483 3.151 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000264941626 247068218 /nfs/dbraw/zinc/06/82/18/247068218.db2.gz GKMGUDVEVQYBAK-UHFFFAOYSA-N 2 1 342.468 3.407 20 0 EGADMP Cc1cc([C@@](C)(O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(C)o1 ZINC000266128229 248116579 /nfs/dbraw/zinc/11/65/79/248116579.db2.gz CBRWLXMSPRMQBY-NRFANRHFSA-N 2 1 342.483 3.358 20 0 EGADMP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000266143558 248127129 /nfs/dbraw/zinc/12/71/29/248127129.db2.gz HUJKQUOWFUSMDW-IBGZPJMESA-N 2 1 330.497 3.210 20 0 EGADMP C[C@H](CC[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000377620566 169049895 /nfs/dbraw/zinc/04/98/95/169049895.db2.gz FCLVEMRYLJFHPB-WIYYLYMNSA-N 2 1 329.532 3.281 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000377725816 169069170 /nfs/dbraw/zinc/06/91/70/169069170.db2.gz RFFSEFRSMWQFMA-HXUWFJFHSA-N 2 1 325.456 3.441 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000377725816 169069173 /nfs/dbraw/zinc/06/91/73/169069173.db2.gz RFFSEFRSMWQFMA-HXUWFJFHSA-N 2 1 325.456 3.441 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000378147746 169076058 /nfs/dbraw/zinc/07/60/58/169076058.db2.gz JCJVRXUXYWKNES-AEGPPILISA-N 2 1 342.936 3.330 20 0 EGADMP C[NH+](C)[C@H](C[NH2+]C1CCN(c2nccs2)CC1)C1CCCCC1 ZINC000378580135 169141936 /nfs/dbraw/zinc/14/19/36/169141936.db2.gz KREJKFXDQOBMRW-QGZVFWFLSA-N 2 1 336.549 3.212 20 0 EGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821727 218171754 /nfs/dbraw/zinc/17/17/54/218171754.db2.gz OXALKKSWLHCBBA-IBGZPJMESA-N 3 1 330.520 3.104 20 0 EGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821727 218171756 /nfs/dbraw/zinc/17/17/56/218171756.db2.gz OXALKKSWLHCBBA-IBGZPJMESA-N 3 1 330.520 3.104 20 0 EGADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821727 218171758 /nfs/dbraw/zinc/17/17/58/218171758.db2.gz OXALKKSWLHCBBA-IBGZPJMESA-N 3 1 330.520 3.104 20 0 EGADMP CN1CCC[C@H]1CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821727 218171761 /nfs/dbraw/zinc/17/17/61/218171761.db2.gz OXALKKSWLHCBBA-IBGZPJMESA-N 2 1 330.520 3.104 20 0 EGADMP CN1CCC[C@H]1CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821727 218171764 /nfs/dbraw/zinc/17/17/64/218171764.db2.gz OXALKKSWLHCBBA-IBGZPJMESA-N 2 1 330.520 3.104 20 0 EGADMP CC[N@@H+](Cc1ccc(CO)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818789 218252086 /nfs/dbraw/zinc/25/20/86/218252086.db2.gz RUMAWBAZPUHAPP-GOSISDBHSA-N 2 1 328.456 3.116 20 0 EGADMP CC[N@H+](Cc1ccc(CO)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818789 218252087 /nfs/dbraw/zinc/25/20/87/218252087.db2.gz RUMAWBAZPUHAPP-GOSISDBHSA-N 2 1 328.456 3.116 20 0 EGADMP CC[NH+](Cc1ccc(CO)o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818789 218252089 /nfs/dbraw/zinc/25/20/89/218252089.db2.gz RUMAWBAZPUHAPP-GOSISDBHSA-N 2 1 328.456 3.116 20 0 EGADMP CC[NH+](Cc1ccc(CO)o1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818789 218252092 /nfs/dbraw/zinc/25/20/92/218252092.db2.gz RUMAWBAZPUHAPP-GOSISDBHSA-N 2 1 328.456 3.116 20 0 EGADMP Cc1nc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cs1 ZINC000268735130 252185040 /nfs/dbraw/zinc/18/50/40/252185040.db2.gz BKODPRJXKQQOPY-UHFFFAOYSA-N 2 1 347.503 3.430 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000268776110 252226850 /nfs/dbraw/zinc/22/68/50/252226850.db2.gz BHUZXCLXXAEQGV-OAHLLOKOSA-N 2 1 343.475 3.462 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000268854013 252301431 /nfs/dbraw/zinc/30/14/31/252301431.db2.gz YPRZZDYCWHUOFU-SNVBAGLBSA-N 2 1 326.213 3.444 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000357786582 296391784 /nfs/dbraw/zinc/39/17/84/296391784.db2.gz FYAKNWGOQIXSMD-UTKZUKDTSA-N 2 1 343.515 3.067 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCO[C@H]2CCOC2)cc1 ZINC000119109112 221246866 /nfs/dbraw/zinc/24/68/66/221246866.db2.gz MZKDIHXLJBPQFR-BEFAXECRSA-N 2 1 329.444 3.027 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)cc2)C1 ZINC000237479204 141004527 /nfs/dbraw/zinc/00/45/27/141004527.db2.gz RDQTXJRAANEIOB-UZLBHIALSA-N 2 1 329.488 3.247 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2nc(C)cc2C)[C@@H](C)C1 ZINC000246851624 141039002 /nfs/dbraw/zinc/03/90/02/141039002.db2.gz CBIIHKVJSIIOFP-HNAYVOBHSA-N 2 1 326.488 3.309 20 0 EGADMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000246955408 141045985 /nfs/dbraw/zinc/04/59/85/141045985.db2.gz IHWCJRDNHOAYQT-GJYPPUQNSA-N 2 1 331.504 3.035 20 0 EGADMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000246955408 141045987 /nfs/dbraw/zinc/04/59/87/141045987.db2.gz IHWCJRDNHOAYQT-GJYPPUQNSA-N 2 1 331.504 3.035 20 0 EGADMP C[NH+](C)CC1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCCC1 ZINC000339520199 141125523 /nfs/dbraw/zinc/12/55/23/141125523.db2.gz XMZSJTVNDUJPQP-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP c1n[nH]c2cc(CC[NH2+][C@@H]3CCCN(Cc4ccccc4)C3)ccc12 ZINC000342810138 141149902 /nfs/dbraw/zinc/14/99/02/141149902.db2.gz OUKLHDRKJFJJRO-HXUWFJFHSA-N 2 1 334.467 3.360 20 0 EGADMP CC[N@@H+](CCCC1CC[NH+](C[C@@H]2CCCO2)CC1)C[C@@H]1CCCO1 ZINC000346456337 141198707 /nfs/dbraw/zinc/19/87/07/141198707.db2.gz OHINRIYXCKRUIP-PMACEKPBSA-N 2 1 338.536 3.159 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)C1CCSCC1 ZINC000187035435 144150350 /nfs/dbraw/zinc/15/03/50/144150350.db2.gz RMYHVSXAISGJQN-KRWDZBQOSA-N 2 1 347.572 3.055 20 0 EGADMP CC1CCN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cn2)CC1 ZINC000192683558 144177739 /nfs/dbraw/zinc/17/77/39/144177739.db2.gz WUNIZBAQERAWSV-YQQQUEKLSA-N 2 1 328.504 3.033 20 0 EGADMP CC1CCN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cn2)CC1 ZINC000192683558 144177740 /nfs/dbraw/zinc/17/77/40/144177740.db2.gz WUNIZBAQERAWSV-YQQQUEKLSA-N 2 1 328.504 3.033 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000344626136 144201289 /nfs/dbraw/zinc/20/12/89/144201289.db2.gz BPKUKUOODWYEAW-PKOBYXMFSA-N 2 1 343.471 3.082 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@@H]12 ZINC000351491368 144268314 /nfs/dbraw/zinc/26/83/14/144268314.db2.gz JUDDFRDARMZTHM-VBSBHUPXSA-N 2 1 335.451 3.036 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C[C@@H]12 ZINC000351491368 144268316 /nfs/dbraw/zinc/26/83/16/144268316.db2.gz JUDDFRDARMZTHM-VBSBHUPXSA-N 2 1 335.451 3.036 20 0 EGADMP Cc1ccc(CCN(Cc2ccco2)C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351516243 144273092 /nfs/dbraw/zinc/27/30/92/144273092.db2.gz FEKOIJDDOVOWOL-HXUWFJFHSA-N 2 1 342.483 3.088 20 0 EGADMP COCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@H]1CC=CCC1 ZINC000361685293 144350252 /nfs/dbraw/zinc/35/02/52/144350252.db2.gz DIPPWFPGOVOSJD-SFHVURJKSA-N 2 1 340.471 3.380 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000341407060 155274570 /nfs/dbraw/zinc/27/45/70/155274570.db2.gz VDINVAMKCDQPMK-PXNSSMCTSA-N 2 1 343.515 3.203 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2OC)[C@H](C)C1 ZINC000119826823 152231150 /nfs/dbraw/zinc/23/11/50/152231150.db2.gz UFZGFCJUSPXJPX-IEBWSBKVSA-N 2 1 334.504 3.230 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2OC)[C@H](C)C1 ZINC000119826823 152231153 /nfs/dbraw/zinc/23/11/53/152231153.db2.gz UFZGFCJUSPXJPX-IEBWSBKVSA-N 2 1 334.504 3.230 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000120678547 152292215 /nfs/dbraw/zinc/29/22/15/152292215.db2.gz CVQFIPVIRHWAFV-KSZLIROESA-N 2 1 345.531 3.404 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000120678547 152292220 /nfs/dbraw/zinc/29/22/20/152292220.db2.gz CVQFIPVIRHWAFV-KSZLIROESA-N 2 1 345.531 3.404 20 0 EGADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000121430909 152350057 /nfs/dbraw/zinc/35/00/57/152350057.db2.gz SRWZEIJXSZGEHK-BEFAXECRSA-N 2 1 333.451 3.204 20 0 EGADMP OC1(Cc2cccc(F)c2)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000189223218 153057155 /nfs/dbraw/zinc/05/71/55/153057155.db2.gz YCRWXYQZPYNLOH-UHFFFAOYSA-N 2 1 334.479 3.071 20 0 EGADMP CC[NH+](CC)CCC[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000191823265 153223250 /nfs/dbraw/zinc/22/32/50/153223250.db2.gz OAURYQQZOGRFQU-UHFFFAOYSA-N 2 1 332.414 3.271 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCCC34CCOCC4)C2)cc1 ZINC000310068879 154139909 /nfs/dbraw/zinc/13/99/09/154139909.db2.gz CPRGLIIOIZLCOQ-PMACEKPBSA-N 2 1 328.500 3.447 20 0 EGADMP FC(F)(F)COCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310383191 154142772 /nfs/dbraw/zinc/14/27/72/154142772.db2.gz JNBZRBGKPWNQLS-DLBZAZTESA-N 2 1 342.405 3.019 20 0 EGADMP FC(F)(F)COCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310383191 154142776 /nfs/dbraw/zinc/14/27/76/154142776.db2.gz JNBZRBGKPWNQLS-DLBZAZTESA-N 2 1 342.405 3.019 20 0 EGADMP FC(F)(F)COCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310383191 154142780 /nfs/dbraw/zinc/14/27/80/154142780.db2.gz JNBZRBGKPWNQLS-DLBZAZTESA-N 2 1 342.405 3.019 20 0 EGADMP FC(F)(F)COCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310383191 154142782 /nfs/dbraw/zinc/14/27/82/154142782.db2.gz JNBZRBGKPWNQLS-DLBZAZTESA-N 2 1 342.405 3.019 20 0 EGADMP C[C@@H]([NH2+]Cc1cnn2ccccc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311045031 154144457 /nfs/dbraw/zinc/14/44/57/154144457.db2.gz FREQQVUJYCCYEJ-IEBWSBKVSA-N 2 1 334.467 3.335 20 0 EGADMP COC1(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC000336663036 154209567 /nfs/dbraw/zinc/20/95/67/154209567.db2.gz WKOGOVLDENZAEC-UXHICEINSA-N 2 1 328.500 3.400 20 0 EGADMP COC1(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC000336663036 154209570 /nfs/dbraw/zinc/20/95/70/154209570.db2.gz WKOGOVLDENZAEC-UXHICEINSA-N 2 1 328.500 3.400 20 0 EGADMP COC1(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC000336663036 154209573 /nfs/dbraw/zinc/20/95/73/154209573.db2.gz WKOGOVLDENZAEC-UXHICEINSA-N 2 1 328.500 3.400 20 0 EGADMP c1cnn(-c2ccc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)c1 ZINC000336815434 154216163 /nfs/dbraw/zinc/21/61/63/154216163.db2.gz ZUOYUSXKWLFCAS-OAQYLSRUSA-N 2 1 346.478 3.484 20 0 EGADMP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000337417143 154344068 /nfs/dbraw/zinc/34/40/68/154344068.db2.gz ZXANXKQNPASNBX-GOEBONIOSA-N 2 1 345.487 3.374 20 0 EGADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)nn1C ZINC000337535558 154402116 /nfs/dbraw/zinc/40/21/16/154402116.db2.gz XSORNPBGCNTANV-KRWDZBQOSA-N 2 1 342.487 3.054 20 0 EGADMP C[NH+](C)[C@H](CNc1cc[nH+]cc1Br)c1ccc(F)cc1 ZINC000339969386 155055815 /nfs/dbraw/zinc/05/58/15/155055815.db2.gz SNODFZRRRJPPTO-OAHLLOKOSA-N 2 1 338.224 3.120 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(Cl)cs1 ZINC000349079119 156346041 /nfs/dbraw/zinc/34/60/41/156346041.db2.gz SDDWDRQEQVMXQB-HNNXBMFYSA-N 2 1 329.941 3.249 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000349122579 156358467 /nfs/dbraw/zinc/35/84/67/156358467.db2.gz ZENPURMJMIMSKJ-IRXDYDNUSA-N 2 1 337.533 3.122 20 0 EGADMP Cc1ccc(NC(=O)CN2CCC[C@@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000365623327 157193749 /nfs/dbraw/zinc/19/37/49/157193749.db2.gz GDVXXELCKCQPMC-CQSZACIVSA-N 2 1 346.862 3.200 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CCN(C)C[C@@H]2C)cc1OC ZINC000105480778 162055874 /nfs/dbraw/zinc/05/58/74/162055874.db2.gz BYNGCEGMFXDMCT-WFASDCNBSA-N 2 1 326.868 3.177 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000105480778 162055878 /nfs/dbraw/zinc/05/58/78/162055878.db2.gz BYNGCEGMFXDMCT-WFASDCNBSA-N 2 1 326.868 3.177 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000105480778 162055880 /nfs/dbraw/zinc/05/58/80/162055880.db2.gz BYNGCEGMFXDMCT-WFASDCNBSA-N 2 1 326.868 3.177 20 0 EGADMP Cc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114455453 162234064 /nfs/dbraw/zinc/23/40/64/162234064.db2.gz GHQAAAVWBHZIRA-HXUWFJFHSA-N 2 1 343.515 3.121 20 0 EGADMP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1(C)C ZINC000181740480 162801745 /nfs/dbraw/zinc/80/17/45/162801745.db2.gz OFLCKASBIXIPQD-ROUUACIJSA-N 2 1 349.519 3.297 20 0 EGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248458887 163006945 /nfs/dbraw/zinc/00/69/45/163006945.db2.gz VGZKJVPYRFQEAH-CNDZOEFASA-N 2 1 336.479 3.276 20 0 EGADMP COC(=O)CC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000338334730 163214152 /nfs/dbraw/zinc/21/41/52/163214152.db2.gz OSGRXRLZAINIFJ-SFHVURJKSA-N 2 1 344.499 3.220 20 0 EGADMP COC(=O)CC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000338334730 163214154 /nfs/dbraw/zinc/21/41/54/163214154.db2.gz OSGRXRLZAINIFJ-SFHVURJKSA-N 2 1 344.499 3.220 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1nc2ccccc2n1C ZINC000246176155 287022901 /nfs/dbraw/zinc/02/29/01/287022901.db2.gz VVPRFWDZPDGOTM-IXDOHACOSA-N 2 1 344.503 3.113 20 0 EGADMP C[C@@H](C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000343767872 164030197 /nfs/dbraw/zinc/03/01/97/164030197.db2.gz IAPMVIUQKMNWBE-HBFSDRIKSA-N 2 1 343.515 3.030 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)NC[C@H](C)[NH+]1CCCC[C@H]1C)c1ccccc1 ZINC000343870290 164054507 /nfs/dbraw/zinc/05/45/07/164054507.db2.gz SOGHQSDMVRXRAB-AOIWGVFYSA-N 2 1 331.504 3.059 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H](C)[NH+]1CCCC[C@H]1C)c1ccccc1 ZINC000343870290 164054508 /nfs/dbraw/zinc/05/45/08/164054508.db2.gz SOGHQSDMVRXRAB-AOIWGVFYSA-N 2 1 331.504 3.059 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000343870290 164054509 /nfs/dbraw/zinc/05/45/09/164054509.db2.gz SOGHQSDMVRXRAB-AOIWGVFYSA-N 2 1 331.504 3.059 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000343870290 164054510 /nfs/dbraw/zinc/05/45/10/164054510.db2.gz SOGHQSDMVRXRAB-AOIWGVFYSA-N 2 1 331.504 3.059 20 0 EGADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cc(F)cc(F)c1 ZINC000343984150 164077158 /nfs/dbraw/zinc/07/71/58/164077158.db2.gz LZBUAONQHUFTMR-CYBMUJFWSA-N 2 1 335.398 3.151 20 0 EGADMP Cc1[nH]nc2ncc(C[NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000352075685 165222125 /nfs/dbraw/zinc/22/21/25/165222125.db2.gz FILZMGXZRLZOLF-HNAYVOBHSA-N 2 1 349.482 3.267 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371341075 287142777 /nfs/dbraw/zinc/14/27/77/287142777.db2.gz LEQBOBVHXLAXIV-GJYPPUQNSA-N 2 1 335.923 3.359 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371341075 287142782 /nfs/dbraw/zinc/14/27/82/287142782.db2.gz LEQBOBVHXLAXIV-GJYPPUQNSA-N 2 1 335.923 3.359 20 0 EGADMP C[S@](=O)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000355228339 166141781 /nfs/dbraw/zinc/14/17/81/166141781.db2.gz UZXHICUBYJLTIH-DVECYGJZSA-N 2 1 342.508 3.036 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000355405445 166187301 /nfs/dbraw/zinc/18/73/01/166187301.db2.gz AIXZLAITMYNBCZ-IRXDYDNUSA-N 2 1 331.504 3.016 20 0 EGADMP CC[NH+](CC)CCCCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000355585693 166251049 /nfs/dbraw/zinc/25/10/49/166251049.db2.gz MKVSHQNQEQLQNV-KRWDZBQOSA-N 2 1 339.911 3.181 20 0 EGADMP CC[C@@H](C(=O)NC1CC([NH+]2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000356103074 166399898 /nfs/dbraw/zinc/39/98/98/166399898.db2.gz DNHWSENCLPRXPI-MHJFOBGBSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@H](C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)[NH+](C)C ZINC000359168548 167086780 /nfs/dbraw/zinc/08/67/80/167086780.db2.gz LZAFEOKEXDZWMB-FUHIMQAGSA-N 2 1 345.531 3.121 20 0 EGADMP C[C@H]1CCC[C@@](C[NH2+]C2CCN(c3nccs3)CC2)([NH+](C)C)C1 ZINC000360715442 167395398 /nfs/dbraw/zinc/39/53/98/167395398.db2.gz GXRLZKVBTYOTDY-MAUKXSAKSA-N 2 1 336.549 3.212 20 0 EGADMP c1cn2c([nH+]1)CC[C@H](c1nc(-c3ccc(C[NH+]4CCCC4)cc3)no1)C2 ZINC000364946468 168003491 /nfs/dbraw/zinc/00/34/91/168003491.db2.gz HFFVWINOWXSPHE-KRWDZBQOSA-N 2 1 349.438 3.259 20 0 EGADMP Clc1cccc2c1OC[C@H]2NC1CC[NH+](Cc2ccncc2)CC1 ZINC000366207741 168094028 /nfs/dbraw/zinc/09/40/28/168094028.db2.gz CXDSYWDGWHKILJ-GOSISDBHSA-N 2 1 343.858 3.423 20 0 EGADMP FC(F)Cn1cc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cn1 ZINC000366342287 168108753 /nfs/dbraw/zinc/10/87/53/168108753.db2.gz FIVKJEUQIRLOHD-UHFFFAOYSA-N 2 1 340.462 3.283 20 0 EGADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000366919449 168157018 /nfs/dbraw/zinc/15/70/18/168157018.db2.gz CPVPZTORJNYYTJ-CQSZACIVSA-N 2 1 339.361 3.351 20 0 EGADMP c1nc2n(c1CNCc1ccc(Oc3cnccn3)cc1)CCCC2 ZINC000367415597 168222738 /nfs/dbraw/zinc/22/27/38/168222738.db2.gz OTEDYMBVGICDIH-UHFFFAOYSA-N 2 1 335.411 3.092 20 0 EGADMP C[N@@H+](C/C=C/c1ccc(F)c(F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368051269 168304260 /nfs/dbraw/zinc/30/42/60/168304260.db2.gz LNRZMXLEHITBSQ-WHLIDYPQSA-N 2 1 349.469 3.078 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261855866 287275934 /nfs/dbraw/zinc/27/59/34/287275934.db2.gz NWHHDADVVZXYSC-QZTJIDSGSA-N 2 1 343.515 3.067 20 0 EGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)CCn2cccn2)CC1 ZINC000158657758 225060981 /nfs/dbraw/zinc/06/09/81/225060981.db2.gz OXPJFNRNYZRPGR-SFHVURJKSA-N 2 1 326.488 3.224 20 0 EGADMP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000167238057 226184349 /nfs/dbraw/zinc/18/43/49/226184349.db2.gz WVTIHBSTKSGYPV-YQVWRLOYSA-N 2 1 334.504 3.229 20 0 EGADMP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000167238057 226184353 /nfs/dbraw/zinc/18/43/53/226184353.db2.gz WVTIHBSTKSGYPV-YQVWRLOYSA-N 2 1 334.504 3.229 20 0 EGADMP CCCOc1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000178739378 265339169 /nfs/dbraw/zinc/33/91/69/265339169.db2.gz DWQYUBVBVYZQLO-SFHVURJKSA-N 2 1 347.547 3.400 20 0 EGADMP CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000274307784 267214575 /nfs/dbraw/zinc/21/45/75/267214575.db2.gz UOWMREDQRSVCKL-UHFFFAOYSA-N 2 1 330.472 3.358 20 0 EGADMP c1c[nH]c([C@H]2CCC[N@H+](Cc3nnc(-c4ccccc4)s3)C2)n1 ZINC000274316516 267215894 /nfs/dbraw/zinc/21/58/94/267215894.db2.gz NWLDDRUAXNNJJY-AWEZNQCLSA-N 2 1 325.441 3.308 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CCCn1cc[nH+]c1C ZINC000274781273 267285836 /nfs/dbraw/zinc/28/58/36/267285836.db2.gz KSNBJRVPLCHMAZ-UHFFFAOYSA-N 2 1 336.439 3.442 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H](NCc2cc(F)ccc2OC)[C@H](C)C1 ZINC000275279576 267340758 /nfs/dbraw/zinc/34/07/58/267340758.db2.gz DMPNIKAIXOTKDK-CRAIPNDOSA-N 2 1 338.467 3.061 20 0 EGADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1cc[nH+]cc1Cl ZINC000278410086 268006798 /nfs/dbraw/zinc/00/67/98/268006798.db2.gz NSNMBHFEANEECD-MRXNPFEDSA-N 2 1 331.847 3.304 20 0 EGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1CNc1cc[nH+]cc1Cl ZINC000278410086 268006800 /nfs/dbraw/zinc/00/68/00/268006800.db2.gz NSNMBHFEANEECD-MRXNPFEDSA-N 2 1 331.847 3.304 20 0 EGADMP CN1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000278489194 268024965 /nfs/dbraw/zinc/02/49/65/268024965.db2.gz BIMZPVJQFWNTRU-ILWGZMRPSA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC(N[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000278489194 268024967 /nfs/dbraw/zinc/02/49/67/268024967.db2.gz BIMZPVJQFWNTRU-ILWGZMRPSA-N 2 1 341.543 3.361 20 0 EGADMP C[NH+]1CCC(N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000278489194 268024970 /nfs/dbraw/zinc/02/49/70/268024970.db2.gz BIMZPVJQFWNTRU-ILWGZMRPSA-N 2 1 341.543 3.361 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000111240916 275183020 /nfs/dbraw/zinc/18/30/20/275183020.db2.gz WICHRWKMJCGSHK-HXUWFJFHSA-N 2 1 348.531 3.158 20 0 EGADMP COc1ccc(OCCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173876702 275197980 /nfs/dbraw/zinc/19/79/80/275197980.db2.gz JLPBFQVAWGMECH-SFHVURJKSA-N 2 1 332.488 3.272 20 0 EGADMP COc1ccc(OCCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173876681 275197984 /nfs/dbraw/zinc/19/79/84/275197984.db2.gz JLPBFQVAWGMECH-GOSISDBHSA-N 2 1 332.488 3.272 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCO[C@@H]1CCCCO1 ZINC000278595835 275257530 /nfs/dbraw/zinc/25/75/30/275257530.db2.gz DQFYIULACZETTH-YZGWKJHDSA-N 2 1 332.488 3.030 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCO[C@@H]1CCCCO1 ZINC000278595835 275257531 /nfs/dbraw/zinc/25/75/31/275257531.db2.gz DQFYIULACZETTH-YZGWKJHDSA-N 2 1 332.488 3.030 20 0 EGADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(C)o1 ZINC000278624104 275260177 /nfs/dbraw/zinc/26/01/77/275260177.db2.gz GLGRCDOBEWJLCQ-KXBFYZLASA-N 2 1 328.456 3.314 20 0 EGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CCS2 ZINC000279047273 275298964 /nfs/dbraw/zinc/29/89/64/275298964.db2.gz XRIBPMFUADRRLX-BBRMVZONSA-N 2 1 329.469 3.281 20 0 EGADMP CN(C)c1ncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000279513506 275336441 /nfs/dbraw/zinc/33/64/41/275336441.db2.gz XQDKSZLVRHOGHT-UHFFFAOYSA-N 2 1 345.516 3.122 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000345000747 276067635 /nfs/dbraw/zinc/06/76/35/276067635.db2.gz JPCMTZBDIMLYIQ-KSZLIROESA-N 2 1 346.519 3.260 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000345000747 276067639 /nfs/dbraw/zinc/06/76/39/276067639.db2.gz JPCMTZBDIMLYIQ-KSZLIROESA-N 2 1 346.519 3.260 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000287106309 276084566 /nfs/dbraw/zinc/08/45/66/276084566.db2.gz QHQTZJKWOCUHMB-PZBISTMVSA-N 2 1 347.547 3.395 20 0 EGADMP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000287106309 276084567 /nfs/dbraw/zinc/08/45/67/276084567.db2.gz QHQTZJKWOCUHMB-PZBISTMVSA-N 2 1 347.547 3.395 20 0 EGADMP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000287106309 276084569 /nfs/dbraw/zinc/08/45/69/276084569.db2.gz QHQTZJKWOCUHMB-PZBISTMVSA-N 2 1 347.547 3.395 20 0 EGADMP Cc1nn(C)c2sc([C@H](C)[NH2+]C[C@H]3CCc4[nH+]ccn4C3)cc12 ZINC000287221648 276098086 /nfs/dbraw/zinc/09/80/86/276098086.db2.gz XNTKMJMRYIMIFW-QWHCGFSZSA-N 2 1 329.473 3.053 20 0 EGADMP COc1nc(C)cc(C)c1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000287572810 276134831 /nfs/dbraw/zinc/13/48/31/276134831.db2.gz BUBZQPOTJPAOHC-IAGOWNOFSA-N 2 1 331.504 3.450 20 0 EGADMP COc1nc(C)cc(C)c1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000287572810 276134833 /nfs/dbraw/zinc/13/48/33/276134833.db2.gz BUBZQPOTJPAOHC-IAGOWNOFSA-N 2 1 331.504 3.450 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000154497466 276194808 /nfs/dbraw/zinc/19/48/08/276194808.db2.gz KJPIQQCAXPLQGI-NRFANRHFSA-N 2 1 349.538 3.400 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000153147180 276201754 /nfs/dbraw/zinc/20/17/54/276201754.db2.gz VCKDCLBONMALAE-HNAYVOBHSA-N 2 1 333.907 3.039 20 0 EGADMP COc1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc(OC)c1O ZINC000289265503 276313484 /nfs/dbraw/zinc/31/34/84/276313484.db2.gz MZXORHSZEHJNRY-UHFFFAOYSA-N 2 1 348.487 3.154 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1c(Cl)oc2ccccc21 ZINC000289552816 276356894 /nfs/dbraw/zinc/35/68/94/276356894.db2.gz XVVBCQKGNSMLIJ-UHFFFAOYSA-N 2 1 335.879 3.156 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000289704298 276380790 /nfs/dbraw/zinc/38/07/90/276380790.db2.gz FMXKEMKZWXUIAA-CRAIPNDOSA-N 2 1 340.471 3.381 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000353585947 277170376 /nfs/dbraw/zinc/17/03/76/277170376.db2.gz ATNVXTGALNMVRA-XUPOMNEHSA-N 2 1 328.500 3.005 20 0 EGADMP C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000113987145 278139024 /nfs/dbraw/zinc/13/90/24/278139024.db2.gz ZVSVKQJSVXYBQE-OBKDMQGPSA-N 2 1 349.563 3.361 20 0 EGADMP C[C@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000113987145 278139026 /nfs/dbraw/zinc/13/90/26/278139026.db2.gz ZVSVKQJSVXYBQE-OBKDMQGPSA-N 2 1 349.563 3.361 20 0 EGADMP C[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000113987145 278139028 /nfs/dbraw/zinc/13/90/28/278139028.db2.gz ZVSVKQJSVXYBQE-OBKDMQGPSA-N 2 1 349.563 3.361 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)C(C)(C)n1cncn1 ZINC000353407509 278261854 /nfs/dbraw/zinc/26/18/54/278261854.db2.gz BRJZCVXEPKKBBP-WMZOPIPTSA-N 2 1 333.524 3.036 20 0 EGADMP C[C@H]1CCN(CC[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000351474012 278367881 /nfs/dbraw/zinc/36/78/81/278367881.db2.gz XCVZWDRYJQHMPZ-PZJWPPBQSA-N 2 1 329.532 3.457 20 0 EGADMP C[C@H]1CCN(CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000351474012 278367884 /nfs/dbraw/zinc/36/78/84/278367884.db2.gz XCVZWDRYJQHMPZ-PZJWPPBQSA-N 2 1 329.532 3.457 20 0 EGADMP C[C@H]1CCN(CC[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000351474012 278367885 /nfs/dbraw/zinc/36/78/85/278367885.db2.gz XCVZWDRYJQHMPZ-PZJWPPBQSA-N 2 1 329.532 3.457 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343755188 279095134 /nfs/dbraw/zinc/09/51/34/279095134.db2.gz YGHKVZNLTCGBKV-AWEZNQCLSA-N 2 1 346.441 3.350 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343755188 279095136 /nfs/dbraw/zinc/09/51/36/279095136.db2.gz YGHKVZNLTCGBKV-AWEZNQCLSA-N 2 1 346.441 3.350 20 0 EGADMP C[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(C(F)(F)F)cc1 ZINC000367319500 279347658 /nfs/dbraw/zinc/34/76/58/279347658.db2.gz VVUGOMOJXOASEG-XYPHTWIQSA-N 2 1 342.405 3.262 20 0 EGADMP C[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C(F)(F)F)cc1 ZINC000367319500 279347660 /nfs/dbraw/zinc/34/76/60/279347660.db2.gz VVUGOMOJXOASEG-XYPHTWIQSA-N 2 1 342.405 3.262 20 0 EGADMP Cn1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000261915239 294239037 /nfs/dbraw/zinc/23/90/37/294239037.db2.gz YQWFYNZEGSOQNC-CTNGQTDRSA-N 2 1 346.478 3.261 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000074319743 307392580 /nfs/dbraw/zinc/39/25/80/307392580.db2.gz ZWYZOVGMMAHOTH-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000414046743 309057681 /nfs/dbraw/zinc/05/76/81/309057681.db2.gz AYPSAFKKQVRZJI-QGZVFWFLSA-N 2 1 339.483 3.275 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000414114168 309061749 /nfs/dbraw/zinc/06/17/49/309061749.db2.gz STQMPPRJAWECMY-BQFCYCMXSA-N 2 1 331.504 3.264 20 0 EGADMP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)nnn1-c1ccc(F)cc1 ZINC000414168344 309064379 /nfs/dbraw/zinc/06/43/79/309064379.db2.gz ABXOLRRHJOXZKK-GOEBONIOSA-N 2 1 345.466 3.097 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)nnn1-c1ccc(F)cc1 ZINC000414168351 309064454 /nfs/dbraw/zinc/06/44/54/309064454.db2.gz ABXOLRRHJOXZKK-ZBFHGGJFSA-N 2 1 345.466 3.097 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ncc(Br)s1 ZINC000414179053 309065059 /nfs/dbraw/zinc/06/50/59/309065059.db2.gz KZWPQZWCMNTBOZ-WDEREUQCSA-N 2 1 332.311 3.288 20 0 EGADMP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)nnn1-c1ccc(C)cc1 ZINC000414186925 309065656 /nfs/dbraw/zinc/06/56/56/309065656.db2.gz PUKQKJMFFOPAKE-WMZOPIPTSA-N 2 1 341.503 3.267 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCOC[C@H]2CCOC2)cc1 ZINC000158215915 307856436 /nfs/dbraw/zinc/85/64/36/307856436.db2.gz OIYDDYSSNROQFB-FUHWJXTLSA-N 2 1 343.471 3.275 20 0 EGADMP OC[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000414308632 309072053 /nfs/dbraw/zinc/07/20/53/309072053.db2.gz IJBHDFIMWYMXSZ-IBGZPJMESA-N 2 1 342.458 3.156 20 0 EGADMP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000414342591 309074075 /nfs/dbraw/zinc/07/40/75/309074075.db2.gz QCDHHSQAMFEOTK-YMQHIKHWSA-N 2 1 328.500 3.038 20 0 EGADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)C1 ZINC000248413723 308002552 /nfs/dbraw/zinc/00/25/52/308002552.db2.gz LODQXZZRJBYSAF-VOFPXKNKSA-N 2 1 341.543 3.215 20 0 EGADMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000248413723 308002554 /nfs/dbraw/zinc/00/25/54/308002554.db2.gz LODQXZZRJBYSAF-VOFPXKNKSA-N 2 1 341.543 3.215 20 0 EGADMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000248413723 308002556 /nfs/dbraw/zinc/00/25/56/308002556.db2.gz LODQXZZRJBYSAF-VOFPXKNKSA-N 2 1 341.543 3.215 20 0 EGADMP CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000248413723 308002558 /nfs/dbraw/zinc/00/25/58/308002558.db2.gz LODQXZZRJBYSAF-VOFPXKNKSA-N 2 1 341.543 3.215 20 0 EGADMP CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000248413723 308002559 /nfs/dbraw/zinc/00/25/59/308002559.db2.gz LODQXZZRJBYSAF-VOFPXKNKSA-N 2 1 341.543 3.215 20 0 EGADMP OCC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000248621772 308007647 /nfs/dbraw/zinc/00/76/47/308007647.db2.gz ASBCBBHCTYRZLF-SLFFLAALSA-N 2 1 328.500 3.039 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000248870073 308013647 /nfs/dbraw/zinc/01/36/47/308013647.db2.gz ZTXLEHLJPKMMJI-QZTJIDSGSA-N 2 1 348.535 3.195 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000248870073 308013648 /nfs/dbraw/zinc/01/36/48/308013648.db2.gz ZTXLEHLJPKMMJI-QZTJIDSGSA-N 2 1 348.535 3.195 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249117347 308019385 /nfs/dbraw/zinc/01/93/85/308019385.db2.gz OIBNLZUKTHQWRH-HBMCJLEFSA-N 2 1 330.516 3.224 20 0 EGADMP C[C@H](c1cccc(F)c1)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000250287131 308029746 /nfs/dbraw/zinc/02/97/46/308029746.db2.gz LZJXIPRFKCIACU-KZNAEPCWSA-N 2 1 333.495 3.377 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1CN1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000414447166 309080772 /nfs/dbraw/zinc/08/07/72/309080772.db2.gz WKSMLUUOYDOPHA-OXQOHEQNSA-N 2 1 342.462 3.236 20 0 EGADMP C[C@H](CCNCc1cnn(CC(F)F)c1)[N@@H+](C)Cc1ccccc1 ZINC000292967090 308085030 /nfs/dbraw/zinc/08/50/30/308085030.db2.gz KVSXJLJKCKGZDI-OAHLLOKOSA-N 2 1 336.430 3.148 20 0 EGADMP C[C@H](CC[NH2+]Cc1cnn(CC(F)F)c1)[N@H+](C)Cc1ccccc1 ZINC000292967090 308085032 /nfs/dbraw/zinc/08/50/32/308085032.db2.gz KVSXJLJKCKGZDI-OAHLLOKOSA-N 2 1 336.430 3.148 20 0 EGADMP C[C@H](CC[NH2+]Cc1cnn(CC(F)F)c1)[N@@H+](C)Cc1ccccc1 ZINC000292967090 308085033 /nfs/dbraw/zinc/08/50/33/308085033.db2.gz KVSXJLJKCKGZDI-OAHLLOKOSA-N 2 1 336.430 3.148 20 0 EGADMP CCc1nc(C(C)C)ccc1CN1CCC([N@@H+](C)CCCO)CC1 ZINC000293027233 308091389 /nfs/dbraw/zinc/09/13/89/308091389.db2.gz ITIRQKPDDOJZMY-UHFFFAOYSA-N 2 1 333.520 3.046 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)cc(=O)oc2c1C ZINC000293104933 308099861 /nfs/dbraw/zinc/09/98/61/308099861.db2.gz XZODTDYJVUGJNU-OAQYLSRUSA-N 2 1 340.467 3.328 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)cc(=O)oc2c1C ZINC000293104933 308099863 /nfs/dbraw/zinc/09/98/63/308099863.db2.gz XZODTDYJVUGJNU-OAQYLSRUSA-N 2 1 340.467 3.328 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cc(=O)oc2c1C ZINC000293104933 308099865 /nfs/dbraw/zinc/09/98/65/308099865.db2.gz XZODTDYJVUGJNU-OAQYLSRUSA-N 2 1 340.467 3.328 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cc(=O)oc2c1C ZINC000293104933 308099867 /nfs/dbraw/zinc/09/98/67/308099867.db2.gz XZODTDYJVUGJNU-OAQYLSRUSA-N 2 1 340.467 3.328 20 0 EGADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CCC4CCOCC4)C3)C2)cc1 ZINC000293426941 308129668 /nfs/dbraw/zinc/12/96/68/308129668.db2.gz TYKOPHKVSMBXJI-OAQYLSRUSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CCC4CCOCC4)C3)C2)cc1 ZINC000293426941 308129671 /nfs/dbraw/zinc/12/96/71/308129671.db2.gz TYKOPHKVSMBXJI-OAQYLSRUSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CCC4CCOCC4)C3)C2)cc1 ZINC000293426941 308129673 /nfs/dbraw/zinc/12/96/73/308129673.db2.gz TYKOPHKVSMBXJI-OAQYLSRUSA-N 2 1 328.500 3.401 20 0 EGADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H](CC(N)=O)c3ccccc3)CC2)C1 ZINC000293515058 308137835 /nfs/dbraw/zinc/13/78/35/308137835.db2.gz ANUVEMXVTYEUKE-PWIZWCRZSA-N 2 1 343.515 3.236 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000294056549 308186362 /nfs/dbraw/zinc/18/63/62/308186362.db2.gz JSOYKWKEUYGKFC-UHFFFAOYSA-N 2 1 329.532 3.461 20 0 EGADMP COc1ccncc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000294505075 308227089 /nfs/dbraw/zinc/22/70/89/308227089.db2.gz YMKSZBLCVIJFBO-YSIASYRMSA-N 2 1 337.467 3.090 20 0 EGADMP COc1ccncc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000294505075 308227091 /nfs/dbraw/zinc/22/70/91/308227091.db2.gz YMKSZBLCVIJFBO-YSIASYRMSA-N 2 1 337.467 3.090 20 0 EGADMP COc1ccncc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000294505065 308227112 /nfs/dbraw/zinc/22/71/12/308227112.db2.gz YMKSZBLCVIJFBO-DFQSSKMNSA-N 2 1 337.467 3.090 20 0 EGADMP COc1ccncc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000294505065 308227114 /nfs/dbraw/zinc/22/71/14/308227114.db2.gz YMKSZBLCVIJFBO-DFQSSKMNSA-N 2 1 337.467 3.090 20 0 EGADMP COc1nccc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)n1 ZINC000294671108 308244315 /nfs/dbraw/zinc/24/43/15/308244315.db2.gz DJIVXTCRHLNSBO-UHFFFAOYSA-N 2 1 340.471 3.007 20 0 EGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(SC)cc1OC ZINC000294995973 308279808 /nfs/dbraw/zinc/27/98/08/308279808.db2.gz LAGKUTUHXSCWKB-GOOCMWNKSA-N 2 1 336.501 3.141 20 0 EGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(SC)cc1OC ZINC000294995973 308279810 /nfs/dbraw/zinc/27/98/10/308279810.db2.gz LAGKUTUHXSCWKB-GOOCMWNKSA-N 2 1 336.501 3.141 20 0 EGADMP [NH3+]C1(c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)n2)CCC1 ZINC000414631780 309092659 /nfs/dbraw/zinc/09/26/59/309092659.db2.gz XRHPWYVZIPEFFK-AWEZNQCLSA-N 2 1 348.397 3.032 20 0 EGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](Cn2cccn2)C(C)C)CC1 ZINC000295938890 308376749 /nfs/dbraw/zinc/37/67/49/308376749.db2.gz KSZORLFMWVZCTB-NRFANRHFSA-N 2 1 340.515 3.470 20 0 EGADMP CC[C@H]([NH3+])CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414706049 309096339 /nfs/dbraw/zinc/09/63/39/309096339.db2.gz GBKCWEPUTHOCFM-INIZCTEOSA-N 2 1 332.492 3.310 20 0 EGADMP CCC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H](CC)c1ccccc1 ZINC000414673179 309094896 /nfs/dbraw/zinc/09/48/96/309094896.db2.gz IPPWLZDSRHAYKM-IEBWSBKVSA-N 2 1 331.504 3.047 20 0 EGADMP COc1ccc(Br)cc1C[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414675233 309094949 /nfs/dbraw/zinc/09/49/49/309094949.db2.gz FLRTXSSQNCDYRM-STQMWFEESA-N 2 1 341.293 3.278 20 0 EGADMP C[C@H]1C[C@H](C[N@H+]2CCc3c(Br)ccc(F)c3C2)CC[NH2+]1 ZINC000414719113 309097418 /nfs/dbraw/zinc/09/74/18/309097418.db2.gz XIWCFZBFXYBAGD-NWDGAFQWSA-N 2 1 341.268 3.334 20 0 EGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414738026 309098145 /nfs/dbraw/zinc/09/81/45/309098145.db2.gz AXLVZWAIOMQHCV-SZMVWBNQSA-N 2 1 326.488 3.197 20 0 EGADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414741003 309098286 /nfs/dbraw/zinc/09/82/86/309098286.db2.gz RPTWZFJMUAEXPY-HXUWFJFHSA-N 2 1 339.487 3.231 20 0 EGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414741003 309098287 /nfs/dbraw/zinc/09/82/87/309098287.db2.gz RPTWZFJMUAEXPY-HXUWFJFHSA-N 2 1 339.487 3.231 20 0 EGADMP C[C@@H]1C[C@@H](C[N@@H+](CCCOc2ccccc2)C2CCOCC2)CC[NH2+]1 ZINC000414754568 309099027 /nfs/dbraw/zinc/09/90/27/309099027.db2.gz GHTNLNKLZCBIGM-MOPGFXCFSA-N 2 1 346.515 3.325 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(-c2cnn(C)c2)c1 ZINC000414777918 309100391 /nfs/dbraw/zinc/10/03/91/309100391.db2.gz IPRLGKWZGCQIEI-QZTJIDSGSA-N 2 1 338.499 3.217 20 0 EGADMP CCCn1c2ccccc2nc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414782880 309100767 /nfs/dbraw/zinc/10/07/67/309100767.db2.gz PFOKCTFTJLRWBC-DLBZAZTESA-N 2 1 326.488 3.268 20 0 EGADMP Clc1ccc(-n2cc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000414782698 309100800 /nfs/dbraw/zinc/10/08/00/309100800.db2.gz OREAKVMSTAWSCH-DLBZAZTESA-N 2 1 344.890 3.347 20 0 EGADMP c1cnc(Oc2ccc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2)cn1 ZINC000414784597 309100993 /nfs/dbraw/zinc/10/09/93/309100993.db2.gz RMNGMJCIGSVXBB-ROUUACIJSA-N 2 1 338.455 3.090 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414787680 309101200 /nfs/dbraw/zinc/10/12/00/309101200.db2.gz VTSMUDLMENTIAT-IAGOWNOFSA-N 2 1 342.462 3.141 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)c(-c2ccccc2)cc1OC ZINC000414790467 309101477 /nfs/dbraw/zinc/10/14/77/309101477.db2.gz GQWFAHGBNITNAV-GOSISDBHSA-N 2 1 328.456 3.444 20 0 EGADMP COc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1OCc1ccccc1 ZINC000414803243 309102347 /nfs/dbraw/zinc/10/23/47/309102347.db2.gz NKCIJEVZAXUKID-GOSISDBHSA-N 2 1 326.440 3.101 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1OCc1ccccc1 ZINC000414802909 309102466 /nfs/dbraw/zinc/10/24/66/309102466.db2.gz WCYDKRNETMSDJQ-SFHVURJKSA-N 2 1 328.456 3.347 20 0 EGADMP Cc1cc(N2CC[NH+](CCOc3ccccc3Cl)CC2)cc[nH+]1 ZINC000302266341 308735386 /nfs/dbraw/zinc/73/53/86/308735386.db2.gz FQTLJMCNGLFDSP-UHFFFAOYSA-N 2 1 331.847 3.244 20 0 EGADMP CCOC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH+](CC)CC)nc1 ZINC000411555739 308944120 /nfs/dbraw/zinc/94/41/20/308944120.db2.gz WREYOWAQRXPVPN-PKOBYXMFSA-N 2 1 347.503 3.249 20 0 EGADMP COc1cc2[nH+]ccc(N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)c2cc1OC ZINC000413191399 309020663 /nfs/dbraw/zinc/02/06/63/309020663.db2.gz GUDRSKDBCBCWND-RHSMWYFYSA-N 2 1 341.455 3.173 20 0 EGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414854789 309105754 /nfs/dbraw/zinc/10/57/54/309105754.db2.gz VMOCXGOXNKGYRQ-PBHICJAKSA-N 2 1 339.911 3.040 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC[NH2+]1 ZINC000414950947 309110891 /nfs/dbraw/zinc/11/08/91/309110891.db2.gz PGBGNGUYXOSBBZ-MWLCHTKSSA-N 2 1 349.219 3.281 20 0 EGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1F ZINC000415035112 309115583 /nfs/dbraw/zinc/11/55/83/309115583.db2.gz DGWJFMACCGIEEP-ZAAXVRCTSA-N 2 1 342.458 3.358 20 0 EGADMP Cc1nc(COc2ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc2)cs1 ZINC000415054773 309116886 /nfs/dbraw/zinc/11/68/86/309116886.db2.gz MTNAILXYVQHTPL-KRWDZBQOSA-N 2 1 333.501 3.494 20 0 EGADMP CCOc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1OC(F)F ZINC000415055602 309116904 /nfs/dbraw/zinc/11/69/04/309116904.db2.gz RGXFLWVWTMFGSW-AWEZNQCLSA-N 2 1 328.403 3.294 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1OC ZINC000415061216 309117615 /nfs/dbraw/zinc/11/76/15/309117615.db2.gz ZQEIFIASAHCBNR-HNNXBMFYSA-N 2 1 326.868 3.354 20 0 EGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC000415098959 309120278 /nfs/dbraw/zinc/12/02/78/309120278.db2.gz GEPGLTCKEWVLJJ-QWFCFKBJSA-N 2 1 338.451 3.082 20 0 EGADMP CCOc1ccc(Oc2cc(C[NH2+]C[C@H]3CCC[NH2+]C3)ccn2)cc1 ZINC000415117658 309121456 /nfs/dbraw/zinc/12/14/56/309121456.db2.gz VXBFDVYASWTJGX-KRWDZBQOSA-N 2 1 341.455 3.362 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)CCCO1 ZINC000415117475 309121483 /nfs/dbraw/zinc/12/14/83/309121483.db2.gz ZJHSGBQTRFXWMC-JOCHJYFZSA-N 2 1 338.495 3.138 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C[C@@H]1C[NH3+] ZINC000415135496 309123116 /nfs/dbraw/zinc/12/31/16/309123116.db2.gz WSDPNQIBHRIYGG-WMZOPIPTSA-N 2 1 325.456 3.077 20 0 EGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000415140905 309123317 /nfs/dbraw/zinc/12/33/17/309123317.db2.gz ZTXFBLLFXZVSAO-UHFFFAOYSA-N 2 1 337.208 3.092 20 0 EGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000415140905 309123318 /nfs/dbraw/zinc/12/33/18/309123318.db2.gz ZTXFBLLFXZVSAO-UHFFFAOYSA-N 2 1 337.208 3.092 20 0 EGADMP C[NH2+]Cc1ccccc1NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000415903809 309147238 /nfs/dbraw/zinc/14/72/38/309147238.db2.gz QTISYKRIKNLEJO-MRXNPFEDSA-N 2 1 332.492 3.182 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccccc2C[NH2+]C)c1 ZINC000415906376 309147456 /nfs/dbraw/zinc/14/74/56/309147456.db2.gz XOOUQRAMIRZAHE-UHFFFAOYSA-N 2 1 340.471 3.179 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000415932039 309149623 /nfs/dbraw/zinc/14/96/23/309149623.db2.gz NJPWPPXLTVNFPV-CALCHBBNSA-N 2 1 346.519 3.286 20 0 EGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416160403 309161393 /nfs/dbraw/zinc/16/13/93/309161393.db2.gz XZUMRFUHVLBMJL-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CCn1cncc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000417869494 309225901 /nfs/dbraw/zinc/22/59/01/309225901.db2.gz LJPSVXGBYGCIKQ-QGZVFWFLSA-N 2 1 326.488 3.425 20 0 EGADMP Clc1ccc([C@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1Cl ZINC000420294200 309279779 /nfs/dbraw/zinc/27/97/79/309279779.db2.gz AWPGDMFMQBPPJO-BLLLJJGKSA-N 2 1 329.271 3.366 20 0 EGADMP Clc1ccc([C@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1Cl ZINC000420294200 309279780 /nfs/dbraw/zinc/27/97/80/309279780.db2.gz AWPGDMFMQBPPJO-BLLLJJGKSA-N 2 1 329.271 3.366 20 0 EGADMP CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H](C)c1ccc(F)cc1 ZINC000420296365 309279999 /nfs/dbraw/zinc/27/99/99/309279999.db2.gz BQEULOCMLHOYPF-XPGWFJOJSA-N 2 1 330.447 3.140 20 0 EGADMP COc1cccc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C2CCC(O)CC2)c1 ZINC000420299533 309280110 /nfs/dbraw/zinc/28/01/10/309280110.db2.gz IXLFGZJPSNEFOK-KKXNLOMOSA-N 2 1 346.515 3.190 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc2ccccc2OC)cc1 ZINC000420299843 309280134 /nfs/dbraw/zinc/28/01/34/309280134.db2.gz JOEONXUVJCULCU-LPHOPBHVSA-N 2 1 342.483 3.309 20 0 EGADMP COc1ccc(CC[C@H]2CCCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000420300379 309280145 /nfs/dbraw/zinc/28/01/45/309280145.db2.gz KFAFHQYAXIMDLZ-RBUKOAKNSA-N 2 1 346.515 3.491 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@H](C)Cc2ccccc2OC)cc1 ZINC000420299847 309280204 /nfs/dbraw/zinc/28/02/04/309280204.db2.gz JOEONXUVJCULCU-VQIMIIECSA-N 2 1 342.483 3.309 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000420299304 309280313 /nfs/dbraw/zinc/28/03/13/309280313.db2.gz AQAVVSLEDIGERH-KCLUMXDGSA-N 2 1 349.478 3.344 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000420299304 309280314 /nfs/dbraw/zinc/28/03/14/309280314.db2.gz AQAVVSLEDIGERH-KCLUMXDGSA-N 2 1 349.478 3.344 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000420310042 309280958 /nfs/dbraw/zinc/28/09/58/309280958.db2.gz USMKDIQDPQYRIB-PKOBYXMFSA-N 2 1 342.458 3.441 20 0 EGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330562 309282486 /nfs/dbraw/zinc/28/24/86/309282486.db2.gz AUSRNHVGWBZSGS-ZWKOTPCHSA-N 2 1 325.456 3.472 20 0 EGADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000420331106 309282562 /nfs/dbraw/zinc/28/25/62/309282562.db2.gz BOAZGKKXQRSGPU-MSOLQXFVSA-N 2 1 337.467 3.100 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420339516 309283183 /nfs/dbraw/zinc/28/31/83/309283183.db2.gz LXJQPPSVFATALD-HOTGVXAUSA-N 2 1 347.528 3.059 20 0 EGADMP Fc1ccc(-c2cc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)on2)cc1 ZINC000420338393 309283206 /nfs/dbraw/zinc/28/32/06/309283206.db2.gz XXRIUGMJGIHDMY-CVEARBPZSA-N 2 1 329.419 3.302 20 0 EGADMP FC(F)(F)c1csc([C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420359848 309284219 /nfs/dbraw/zinc/28/42/19/309284219.db2.gz KYDCVLSUOXAVDH-NWDGAFQWSA-N 2 1 333.423 3.341 20 0 EGADMP CCn1ccnc1[C@H]1CCCC[N@@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420372741 309284938 /nfs/dbraw/zinc/28/49/38/309284938.db2.gz LXOJKMGWACAXQN-IEBWSBKVSA-N 2 1 342.487 3.181 20 0 EGADMP CCn1ccnc1[C@H]1CCCC[N@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420372741 309284939 /nfs/dbraw/zinc/28/49/39/309284939.db2.gz LXOJKMGWACAXQN-IEBWSBKVSA-N 2 1 342.487 3.181 20 0 EGADMP Brc1ccc2c(c1)C[N@@H+](CC[C@H]1CCC[NH2+]C1)CCO2 ZINC000420376700 309285202 /nfs/dbraw/zinc/28/52/02/309285202.db2.gz QYZIRFYHZOCISP-CYBMUJFWSA-N 2 1 339.277 3.033 20 0 EGADMP Brc1ccc2c(c1)C[N@H+](CC[C@H]1CCC[NH2+]C1)CCO2 ZINC000420376700 309285203 /nfs/dbraw/zinc/28/52/03/309285203.db2.gz QYZIRFYHZOCISP-CYBMUJFWSA-N 2 1 339.277 3.033 20 0 EGADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCCc3cccc4ccccc43)C2)nn1 ZINC000420390933 309286000 /nfs/dbraw/zinc/28/60/00/309286000.db2.gz ZZLFYWHAKASUIE-FQEVSTJZSA-N 2 1 349.482 3.160 20 0 EGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ncc(-c4cccs4)o3)CC2)C1 ZINC000420392342 309286040 /nfs/dbraw/zinc/28/60/40/309286040.db2.gz PJMKDWACVGXXIL-GJZGRUSLSA-N 2 1 347.484 3.121 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420404166 309286630 /nfs/dbraw/zinc/28/66/30/309286630.db2.gz LSVKWFOTQVNXLI-ZIAGYGMSSA-N 2 1 330.428 3.026 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420404166 309286631 /nfs/dbraw/zinc/28/66/31/309286631.db2.gz LSVKWFOTQVNXLI-ZIAGYGMSSA-N 2 1 330.428 3.026 20 0 EGADMP Cc1c(Cl)c(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)nn1C ZINC000421337804 309318957 /nfs/dbraw/zinc/31/89/57/309318957.db2.gz DEIMKDNMZUPEBZ-UHFFFAOYSA-N 2 1 347.894 3.125 20 0 EGADMP Cc1c(Cl)c(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)nn1C ZINC000421337804 309318958 /nfs/dbraw/zinc/31/89/58/309318958.db2.gz DEIMKDNMZUPEBZ-UHFFFAOYSA-N 2 1 347.894 3.125 20 0 EGADMP COC1([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000421398885 309322824 /nfs/dbraw/zinc/32/28/24/309322824.db2.gz GWHIJZLRXNZZEX-HBFSDRIKSA-N 2 1 346.515 3.071 20 0 EGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000421827841 309341972 /nfs/dbraw/zinc/34/19/72/309341972.db2.gz ZUCGYQMLTXVFQA-HNNXBMFYSA-N 2 1 341.902 3.027 20 0 EGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000421839786 309342701 /nfs/dbraw/zinc/34/27/01/309342701.db2.gz XYEHXMXVHQINBY-CYBMUJFWSA-N 2 1 328.859 3.111 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C[C@H]1C[NH3+] ZINC000422563678 309361767 /nfs/dbraw/zinc/36/17/67/309361767.db2.gz UGVSVCPYCBWWJA-HNAWSFBYSA-N 2 1 332.488 3.050 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@@H]1C[NH3+] ZINC000422563646 309361836 /nfs/dbraw/zinc/36/18/36/309361836.db2.gz UAQXMHQLQLPTAP-UWVAXJGDSA-N 2 1 339.483 3.466 20 0 EGADMP COc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)co2)cc1 ZINC000422634119 309362984 /nfs/dbraw/zinc/36/29/84/309362984.db2.gz JCLIUPHHBXDKAK-LZWOXQAQSA-N 2 1 329.444 3.155 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)co2)cc1 ZINC000422634119 309362985 /nfs/dbraw/zinc/36/29/85/309362985.db2.gz JCLIUPHHBXDKAK-LZWOXQAQSA-N 2 1 329.444 3.155 20 0 EGADMP CCN(C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)[C@H](C)c1ccc(F)cc1 ZINC000422633896 309363000 /nfs/dbraw/zinc/36/30/00/309363000.db2.gz JARRLHDEFCPOPU-HPFXQQBRSA-N 2 1 349.494 3.040 20 0 EGADMP CCN(C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)[C@H](C)c1ccc(F)cc1 ZINC000422633896 309363001 /nfs/dbraw/zinc/36/30/01/309363001.db2.gz JARRLHDEFCPOPU-HPFXQQBRSA-N 2 1 349.494 3.040 20 0 EGADMP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)N1CCc2sccc2C1 ZINC000422716115 309364550 /nfs/dbraw/zinc/36/45/50/309364550.db2.gz MXLSACIIIDLFDH-FSPWUOQZSA-N 2 1 327.497 3.229 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422734792 309365904 /nfs/dbraw/zinc/36/59/04/309365904.db2.gz CTQXHERYJJREQQ-YUXAGFNASA-N 2 1 337.511 3.199 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422774359 309367675 /nfs/dbraw/zinc/36/76/75/309367675.db2.gz WSEXBURWTUTDRE-YFVAEKQCSA-N 2 1 343.515 3.096 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422774359 309367676 /nfs/dbraw/zinc/36/76/76/309367676.db2.gz WSEXBURWTUTDRE-YFVAEKQCSA-N 3 1 343.515 3.096 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422774359 309367677 /nfs/dbraw/zinc/36/76/77/309367677.db2.gz WSEXBURWTUTDRE-YFVAEKQCSA-N 3 1 343.515 3.096 20 0 EGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCC[N@@H+](C)Cc1ccccc1 ZINC000422783388 309368107 /nfs/dbraw/zinc/36/81/07/309368107.db2.gz KXXBEJOQYGCGPX-NQIIRXRSSA-N 2 1 325.500 3.057 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000422838768 309371157 /nfs/dbraw/zinc/37/11/57/309371157.db2.gz XZMKFZWJSCZMBS-NYVOZVTQSA-N 2 1 337.511 3.199 20 0 EGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)CC1 ZINC000422841881 309371241 /nfs/dbraw/zinc/37/12/41/309371241.db2.gz XARKDQAGEKJLNL-RXVVDRJESA-N 2 1 331.548 3.293 20 0 EGADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000422862054 309372528 /nfs/dbraw/zinc/37/25/28/309372528.db2.gz NHHAOFWCCUWHPB-KSSFIOAISA-N 2 1 329.419 3.491 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422878684 309373479 /nfs/dbraw/zinc/37/34/79/309373479.db2.gz JPAMLSYJIHDWID-LVCYWYKZSA-N 3 1 329.532 3.396 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422878684 309373480 /nfs/dbraw/zinc/37/34/80/309373480.db2.gz JPAMLSYJIHDWID-LVCYWYKZSA-N 2 1 329.532 3.396 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422878684 309373481 /nfs/dbraw/zinc/37/34/81/309373481.db2.gz JPAMLSYJIHDWID-LVCYWYKZSA-N 2 1 329.532 3.396 20 0 EGADMP CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC(F)F)c1 ZINC000422888918 309374474 /nfs/dbraw/zinc/37/44/74/309374474.db2.gz OHEOPTIENBWOKV-YIONKMFJSA-N 2 1 340.414 3.449 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422912127 309375704 /nfs/dbraw/zinc/37/57/04/309375704.db2.gz VMVIXDYATQHORY-NVXWUHKLSA-N 2 1 332.536 3.400 20 0 EGADMP CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422912127 309375705 /nfs/dbraw/zinc/37/57/05/309375705.db2.gz VMVIXDYATQHORY-NVXWUHKLSA-N 2 1 332.536 3.400 20 0 EGADMP c1coc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)[NH+]2CCCCC2)c1 ZINC000422967421 309378767 /nfs/dbraw/zinc/37/87/67/309378767.db2.gz TUJBJZNBANXCES-MANSERQUSA-N 2 1 331.504 3.317 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423036578 309382164 /nfs/dbraw/zinc/38/21/64/309382164.db2.gz APXSXJWUZAIWND-WQGACYEGSA-N 2 1 328.287 3.302 20 0 EGADMP C[C@H](CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[NH+]1CCCCC1 ZINC000423035678 309382254 /nfs/dbraw/zinc/38/22/54/309382254.db2.gz SGOKMHWKXVSHCZ-YFVAEKQCSA-N 3 1 343.515 3.096 20 0 EGADMP C[NH+](C)[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423047236 309382918 /nfs/dbraw/zinc/38/29/18/309382918.db2.gz GVRRHCFHUJLZKW-HYVNUMGLSA-N 2 1 343.437 3.415 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C12CCOCC2 ZINC000423054572 309383391 /nfs/dbraw/zinc/38/33/91/309383391.db2.gz UZIXEIPDRUNLQD-LWYYNNOASA-N 2 1 344.499 3.044 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000423061589 309383689 /nfs/dbraw/zinc/38/36/89/309383689.db2.gz LBTBARFZAMXZCB-YDHLFZDLSA-N 2 1 327.394 3.014 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000423066880 309384068 /nfs/dbraw/zinc/38/40/68/309384068.db2.gz FQLARQCVSANEQV-KYOSRNDESA-N 2 1 328.287 3.302 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000423066884 309384108 /nfs/dbraw/zinc/38/41/08/309384108.db2.gz FQLARQCVSANEQV-UXIGCNINSA-N 2 1 328.287 3.302 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@@H]1CCCC[NH2+]1 ZINC000423078710 309384892 /nfs/dbraw/zinc/38/48/92/309384892.db2.gz WNQMKBIEGTUSJL-KNTRFNDTSA-N 2 1 334.479 3.020 20 0 EGADMP C[C@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)[C@H]1CCCC[NH2+]1 ZINC000423094746 309385768 /nfs/dbraw/zinc/38/57/68/309385768.db2.gz KRLCJVGPPIERSL-XJKSGUPXSA-N 2 1 330.394 3.290 20 0 EGADMP C[C@@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423094744 309385784 /nfs/dbraw/zinc/38/57/84/309385784.db2.gz KRLCJVGPPIERSL-CJNGLKHVSA-N 2 1 330.394 3.290 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423116548 309386813 /nfs/dbraw/zinc/38/68/13/309386813.db2.gz QJJVYCCIDLDCGV-JIRNRHONSA-N 2 1 327.516 3.160 20 0 EGADMP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423116548 309386814 /nfs/dbraw/zinc/38/68/14/309386814.db2.gz QJJVYCCIDLDCGV-JIRNRHONSA-N 2 1 327.516 3.160 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CCCC[C@H]2C[NH3+])[NH+](C)C)cc1 ZINC000423125137 309387280 /nfs/dbraw/zinc/38/72/80/309387280.db2.gz NASZPMDNFQSFEG-SXLOBPIMSA-N 2 1 333.520 3.184 20 0 EGADMP Clc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423143691 309388248 /nfs/dbraw/zinc/38/82/48/309388248.db2.gz DTWJXMAYICCNPK-HSANBRHQSA-N 2 1 334.891 3.333 20 0 EGADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cnn1-c1cc(C)ccc1C ZINC000423211661 309390473 /nfs/dbraw/zinc/39/04/73/309390473.db2.gz LBKYRINQHDKPGH-AEFFLSMTSA-N 2 1 326.488 3.448 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000423211987 309390596 /nfs/dbraw/zinc/39/05/96/309390596.db2.gz LJERYHAYGWHXBY-NWDGAFQWSA-N 2 1 327.266 3.108 20 0 EGADMP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423217569 309390805 /nfs/dbraw/zinc/39/08/05/309390805.db2.gz QHOFLGNIWWIRFT-IDGBJLRDSA-N 3 1 329.532 3.407 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423232573 309391608 /nfs/dbraw/zinc/39/16/08/309391608.db2.gz INUXZTMXUMSNPS-WOZUAGRISA-N 3 1 327.516 3.019 20 0 EGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423259998 309392779 /nfs/dbraw/zinc/39/27/79/309392779.db2.gz GKIFYHLWCFRUPD-UGSOOPFHSA-N 2 1 329.488 3.475 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])nnn1-c1ccc(C)cc1 ZINC000423263888 309392932 /nfs/dbraw/zinc/39/29/32/309392932.db2.gz BILMIWTVIOYAQO-ZVZYQTTQSA-N 2 1 327.476 3.052 20 0 EGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423266713 309393212 /nfs/dbraw/zinc/39/32/12/309393212.db2.gz CBBFFSWQRAZWFY-OWQGQXMQSA-N 2 1 336.451 3.162 20 0 EGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000423270308 309393448 /nfs/dbraw/zinc/39/34/48/309393448.db2.gz HRLLHYBDGRBNSR-MEBBXXQBSA-N 2 1 329.257 3.484 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423294206 309394357 /nfs/dbraw/zinc/39/43/57/309394357.db2.gz BIPPKZDUMJVAEU-CVEARBPZSA-N 2 1 325.294 3.414 20 0 EGADMP CCCC[C@H](C[NH3+])N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423300610 309394530 /nfs/dbraw/zinc/39/45/30/309394530.db2.gz SAUXCFGSCDGXDK-JSXRDJHFSA-N 2 1 329.532 3.394 20 0 EGADMP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000423320123 309394988 /nfs/dbraw/zinc/39/49/88/309394988.db2.gz DCFVMCJXIAHAKT-JTDSTZFVSA-N 2 1 329.488 3.388 20 0 EGADMP CC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]CC1 ZINC000423336503 309395999 /nfs/dbraw/zinc/39/59/99/309395999.db2.gz SWRGTIWPMPCEPJ-NJDAHSKKSA-N 3 1 341.543 3.266 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3c(Br)cccc32)CC[NH2+]1 ZINC000423366337 309397094 /nfs/dbraw/zinc/39/70/94/309397094.db2.gz CLJLPDWAYFAYNC-TYNCELHUSA-N 2 1 339.277 3.393 20 0 EGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423365852 309397193 /nfs/dbraw/zinc/39/71/93/309397193.db2.gz KSIFDDUGGHBTRL-KNEBKQPDSA-N 2 1 338.442 3.205 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000423383598 309397877 /nfs/dbraw/zinc/39/78/77/309397877.db2.gz KKZNDFTWAXKQJR-YMQHIKHWSA-N 3 1 327.516 3.147 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000423383598 309397878 /nfs/dbraw/zinc/39/78/78/309397878.db2.gz KKZNDFTWAXKQJR-YMQHIKHWSA-N 2 1 327.516 3.147 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000423383598 309397879 /nfs/dbraw/zinc/39/78/79/309397879.db2.gz KKZNDFTWAXKQJR-YMQHIKHWSA-N 2 1 327.516 3.147 20 0 EGADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2cc(Br)ccc2C1)C1CCCC1 ZINC000423525017 309404974 /nfs/dbraw/zinc/40/49/74/309404974.db2.gz JYXLQHZPUJRXDY-IRXDYDNUSA-N 2 1 337.305 3.414 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(OCc2ccccc2)cc1 ZINC000423526348 309404994 /nfs/dbraw/zinc/40/49/94/309404994.db2.gz VCNQUNUJLSOCBQ-UTKZUKDTSA-N 2 1 340.467 3.295 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(OCc2ccccc2)c1 ZINC000423527816 309405018 /nfs/dbraw/zinc/40/50/18/309405018.db2.gz VZQHFXPESZTYEZ-UWJYYQICSA-N 2 1 340.467 3.295 20 0 EGADMP FC(F)(F)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000428886864 309563834 /nfs/dbraw/zinc/56/38/34/309563834.db2.gz JDXPLDRXTMBXEA-LBPRGKRZSA-N 2 1 348.434 3.357 20 0 EGADMP C[C@H]([NH3+])C1CC[NH+](Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000430969229 309622387 /nfs/dbraw/zinc/62/23/87/309622387.db2.gz YYZGYSWMVMDYNT-ZDUSSCGKSA-N 2 1 349.475 3.420 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000439083394 309825816 /nfs/dbraw/zinc/82/58/16/309825816.db2.gz CLQOKKFSALWLRF-HOTGVXAUSA-N 2 1 347.503 3.426 20 0 EGADMP CCn1nnc(C)c1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000449037445 310032005 /nfs/dbraw/zinc/03/20/05/310032005.db2.gz NEXCPRNIFDHCAA-MRXNPFEDSA-N 2 1 333.524 3.083 20 0 EGADMP COc1ccc(-n2cc(C[NH2+]C[C@H](C)C[NH+]3CCCCC3)cn2)cc1 ZINC000449088871 310036165 /nfs/dbraw/zinc/03/61/65/310036165.db2.gz IXJWRTULQICBGN-KRWDZBQOSA-N 2 1 342.487 3.093 20 0 EGADMP c1cc2c(cc1C[NH2+]C1CC[NH+](CC3CC3)CC1)OCCCCO2 ZINC000449090419 310036388 /nfs/dbraw/zinc/03/63/88/310036388.db2.gz NTEDPOJOIAFKDH-UHFFFAOYSA-N 2 1 330.472 3.202 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)sc2C1 ZINC000449465358 310064407 /nfs/dbraw/zinc/06/44/07/310064407.db2.gz CLASMGCRHAEYAI-UAGQMJEPSA-N 2 1 349.544 3.035 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)sc2C1 ZINC000449465358 310064408 /nfs/dbraw/zinc/06/44/08/310064408.db2.gz CLASMGCRHAEYAI-UAGQMJEPSA-N 2 1 349.544 3.035 20 0 EGADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)sc2C1 ZINC000449465358 310064409 /nfs/dbraw/zinc/06/44/09/310064409.db2.gz CLASMGCRHAEYAI-UAGQMJEPSA-N 2 1 349.544 3.035 20 0 EGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)sc2C1 ZINC000449465358 310064410 /nfs/dbraw/zinc/06/44/10/310064410.db2.gz CLASMGCRHAEYAI-UAGQMJEPSA-N 2 1 349.544 3.035 20 0 EGADMP CC[N@H+]1CC[C@H](NCC2([NH+](C)Cc3ccccc3)CCC2)[C@H](C)C1 ZINC000449472846 310064955 /nfs/dbraw/zinc/06/49/55/310064955.db2.gz GHZQQSKHCIXAFK-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CC[C@H](NCC2([N@H+](C)Cc3ccccc3)CCC2)[C@H](C)C1 ZINC000449472846 310064956 /nfs/dbraw/zinc/06/49/56/310064956.db2.gz GHZQQSKHCIXAFK-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CC[C@H](NCC2([N@@H+](C)Cc3ccccc3)CCC2)[C@H](C)C1 ZINC000449472846 310064957 /nfs/dbraw/zinc/06/49/57/310064957.db2.gz GHZQQSKHCIXAFK-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]CC2(N(C)Cc3ccccc3)CCC2)[C@H](C)C1 ZINC000449472846 310064958 /nfs/dbraw/zinc/06/49/58/310064958.db2.gz GHZQQSKHCIXAFK-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(N(C)Cc3ccccc3)CCC2)[C@H](C)C1 ZINC000449472846 310064959 /nfs/dbraw/zinc/06/49/59/310064959.db2.gz GHZQQSKHCIXAFK-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP OCC1(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000449579798 310073472 /nfs/dbraw/zinc/07/34/72/310073472.db2.gz JVGPCMZPRMOJOX-SLFFLAALSA-N 2 1 328.500 3.039 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000449816595 310088929 /nfs/dbraw/zinc/08/89/29/310088929.db2.gz YMOGCOCVOAXEMR-MJGOQNOKSA-N 2 1 337.552 3.410 20 0 EGADMP CCc1cc(CCC[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)on1 ZINC000450635690 310134212 /nfs/dbraw/zinc/13/42/12/310134212.db2.gz CAOCIHZVXIGIHD-UHFFFAOYSA-N 2 1 342.487 3.413 20 0 EGADMP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]c4cc(Br)ccc43)C[C@@H]21 ZINC000450775921 310142050 /nfs/dbraw/zinc/14/20/50/310142050.db2.gz GVUKJNINYIYYHT-BZNIZROVSA-N 2 1 332.245 3.138 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]c4cc(Br)ccc43)C[C@@H]21 ZINC000450775921 310142051 /nfs/dbraw/zinc/14/20/51/310142051.db2.gz GVUKJNINYIYYHT-BZNIZROVSA-N 2 1 332.245 3.138 20 0 EGADMP O[C@@]1(C[NH2+][C@@H](C2CC2)C2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000453113461 310258895 /nfs/dbraw/zinc/25/88/95/310258895.db2.gz DZXQTXFJRANCJO-NHCUHLMSSA-N 2 1 328.500 3.182 20 0 EGADMP O[C@@]1(C[NH2+][C@@H](C2CC2)C2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000453113461 310258896 /nfs/dbraw/zinc/25/88/96/310258896.db2.gz DZXQTXFJRANCJO-NHCUHLMSSA-N 2 1 328.500 3.182 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000453166956 310261880 /nfs/dbraw/zinc/26/18/80/310261880.db2.gz HXPLQRGMEIFCPZ-GGPKGHCWSA-N 2 1 338.499 3.298 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000453200040 310263799 /nfs/dbraw/zinc/26/37/99/310263799.db2.gz ULXNDOOXKQSYCL-NHCUHLMSSA-N 2 1 328.500 3.312 20 0 EGADMP C[C@H](c1cccc(OCC[NH+](C)C)c1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000453339499 310271912 /nfs/dbraw/zinc/27/19/12/310271912.db2.gz BVMQTQDWRPILPQ-XLIONFOSSA-N 2 1 332.488 3.191 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2(O)CCCC2)[C@@H](C)C1 ZINC000453372652 310273558 /nfs/dbraw/zinc/27/35/58/310273558.db2.gz GQTFGJJMVGGZIX-ROUUACIJSA-N 2 1 340.552 3.044 20 0 EGADMP C[C@H](NCC[N@@H+]1CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453396878 310274844 /nfs/dbraw/zinc/27/48/44/310274844.db2.gz KZAPGJPCPNAERX-KRWDZBQOSA-N 2 1 333.520 3.152 20 0 EGADMP C[C@H](NCC[N@H+]1CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453396878 310274845 /nfs/dbraw/zinc/27/48/45/310274845.db2.gz KZAPGJPCPNAERX-KRWDZBQOSA-N 2 1 333.520 3.152 20 0 EGADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C[C@@H]1C ZINC000455933970 310382646 /nfs/dbraw/zinc/38/26/46/310382646.db2.gz QSQMTRMFMDMWFU-YZVOILCLSA-N 2 1 344.503 3.182 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1)C1CC1 ZINC000456325102 310398465 /nfs/dbraw/zinc/39/84/65/310398465.db2.gz ZVGKIBKBJGVIAY-CTXDPNEZSA-N 2 1 341.499 3.026 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1)C1CC1 ZINC000456325102 310398466 /nfs/dbraw/zinc/39/84/66/310398466.db2.gz ZVGKIBKBJGVIAY-CTXDPNEZSA-N 2 1 341.499 3.026 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1)C1CC1 ZINC000456325102 310398467 /nfs/dbraw/zinc/39/84/67/310398467.db2.gz ZVGKIBKBJGVIAY-CTXDPNEZSA-N 2 1 341.499 3.026 20 0 EGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CS1 ZINC000488451337 311066082 /nfs/dbraw/zinc/06/60/82/311066082.db2.gz FCNNDARGTXOHJF-HOTGVXAUSA-N 2 1 326.550 3.141 20 0 EGADMP CCCc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000490963942 311158936 /nfs/dbraw/zinc/15/89/36/311158936.db2.gz ISOKOXOESJTDLV-RXVVDRJESA-N 2 1 329.532 3.097 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C(C)C ZINC000494123241 311457356 /nfs/dbraw/zinc/45/73/56/311457356.db2.gz HFADAAUXCICWHU-GOSISDBHSA-N 2 1 338.496 3.111 20 0 EGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000504424794 312006185 /nfs/dbraw/zinc/00/61/85/312006185.db2.gz SWOWQGKDAHLYEE-NQIIRXRSSA-N 2 1 343.559 3.142 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000505733879 312032313 /nfs/dbraw/zinc/03/23/13/312032313.db2.gz OOONMHBHXPMUGB-UHFFFAOYSA-N 2 1 343.515 3.085 20 0 EGADMP Oc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000507464304 312073479 /nfs/dbraw/zinc/07/34/79/312073479.db2.gz WSBPMYATRIYRJS-BAGYTPMASA-N 2 1 336.479 3.435 20 0 EGADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512665915 312191663 /nfs/dbraw/zinc/19/16/63/312191663.db2.gz IAXGUWCWENBJCF-OUJGAGHGSA-N 2 1 330.516 3.284 20 0 EGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000513472518 312211145 /nfs/dbraw/zinc/21/11/45/312211145.db2.gz GNKZGQXWGJXMHB-RTBURBONSA-N 2 1 336.907 3.474 20 0 EGADMP CCCC[N@@H+](C)CCNC(=O)c1ccccc1Oc1ccncc1 ZINC000513495185 312211682 /nfs/dbraw/zinc/21/16/82/312211682.db2.gz MKCQRRIUDVQLPI-UHFFFAOYSA-N 2 1 327.428 3.336 20 0 EGADMP CCN1C[C@H](C)[C@H]([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000513514073 312212337 /nfs/dbraw/zinc/21/23/37/312212337.db2.gz VXSZILKGGHJJGJ-FMWKFLBASA-N 2 1 329.532 3.217 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000513785899 312217751 /nfs/dbraw/zinc/21/77/51/312217751.db2.gz VWEFIEILCBOVQD-UHFFFAOYSA-N 2 1 332.488 3.402 20 0 EGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000514935006 312254939 /nfs/dbraw/zinc/25/49/39/312254939.db2.gz XFSOFFPXDNPDBS-SFHVURJKSA-N 2 1 333.520 3.167 20 0 EGADMP COc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc(C(F)(F)F)c1 ZINC000529569638 313357943 /nfs/dbraw/zinc/35/79/43/313357943.db2.gz PBRVCGDUWCZUGT-BLLLJJGKSA-N 2 1 330.394 3.486 20 0 EGADMP COc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc(C(F)(F)F)c1 ZINC000529569638 313357946 /nfs/dbraw/zinc/35/79/46/313357946.db2.gz PBRVCGDUWCZUGT-BLLLJJGKSA-N 2 1 330.394 3.486 20 0 EGADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc(C(F)(F)F)c1 ZINC000529569638 313357949 /nfs/dbraw/zinc/35/79/49/313357949.db2.gz PBRVCGDUWCZUGT-BLLLJJGKSA-N 2 1 330.394 3.486 20 0 EGADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc(C(F)(F)F)c1 ZINC000529569638 313357952 /nfs/dbraw/zinc/35/79/52/313357952.db2.gz PBRVCGDUWCZUGT-BLLLJJGKSA-N 2 1 330.394 3.486 20 0 EGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc(C(F)(F)F)c1 ZINC000529569638 313357954 /nfs/dbraw/zinc/35/79/54/313357954.db2.gz PBRVCGDUWCZUGT-BLLLJJGKSA-N 2 1 330.394 3.486 20 0 EGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc(C(F)(F)F)c1 ZINC000529569638 313357955 /nfs/dbraw/zinc/35/79/55/313357955.db2.gz PBRVCGDUWCZUGT-BLLLJJGKSA-N 2 1 330.394 3.486 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000530513114 313548692 /nfs/dbraw/zinc/54/86/92/313548692.db2.gz DQHPZRNBUUXRIQ-INIZCTEOSA-N 2 1 334.261 3.392 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534972650 314009543 /nfs/dbraw/zinc/00/95/43/314009543.db2.gz XJLZYWKJZNKCMT-IBGZPJMESA-N 2 1 335.923 3.335 20 0 EGADMP CCC[C@@H]1C[NH+](CCCCC[N@H+]2CCO[C@@H](CCC)C2)CCO1 ZINC000535378524 314044149 /nfs/dbraw/zinc/04/41/49/314044149.db2.gz OFVFDGOEYTYPEF-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP CCC[C@@H]1C[N@H+](CCCCC[NH+]2CCO[C@@H](CCC)C2)CCO1 ZINC000535378524 314044150 /nfs/dbraw/zinc/04/41/50/314044150.db2.gz OFVFDGOEYTYPEF-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP CCC[C@@H]1C[N@@H+](CCCCC[NH+]2CCO[C@@H](CCC)C2)CCO1 ZINC000535378524 314044152 /nfs/dbraw/zinc/04/41/52/314044152.db2.gz OFVFDGOEYTYPEF-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)cc2C)[C@H](C)C1 ZINC000537963665 314220341 /nfs/dbraw/zinc/22/03/41/314220341.db2.gz ROWZOPVIKANSHK-XLIONFOSSA-N 2 1 334.504 3.230 20 0 EGADMP c1cc(C2([NH2+]C3CC[NH+](C4CCCC4)CC3)CC2)cc2c1OCO2 ZINC000538551010 314254033 /nfs/dbraw/zinc/25/40/33/314254033.db2.gz ICRZGGLTGSYKBC-UHFFFAOYSA-N 2 1 328.456 3.401 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(N[C@@H]3C[C@H](C)[NH+](C)C[C@@H]3C)c2)C[C@H](C)O1 ZINC000538589293 314256381 /nfs/dbraw/zinc/25/63/81/314256381.db2.gz IUUUKNPZRBSEPL-ARWBCWGVSA-N 2 1 345.531 3.436 20 0 EGADMP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)c2)C[C@H](C)O1 ZINC000538589293 314256384 /nfs/dbraw/zinc/25/63/84/314256384.db2.gz IUUUKNPZRBSEPL-ARWBCWGVSA-N 2 1 345.531 3.436 20 0 EGADMP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)c2)C[C@H](C)O1 ZINC000538589293 314256387 /nfs/dbraw/zinc/25/63/87/314256387.db2.gz IUUUKNPZRBSEPL-ARWBCWGVSA-N 2 1 345.531 3.436 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@H](C)CCc3ccccc3)C2)CC1 ZINC000539405790 314311997 /nfs/dbraw/zinc/31/19/97/314311997.db2.gz MVVKHJQZNBPPSN-IRLDBZIGSA-N 2 1 343.559 3.356 20 0 EGADMP Cc1cncc([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000546645743 314843018 /nfs/dbraw/zinc/84/30/18/314843018.db2.gz QJEKSVFQBDFDKN-RXVVDRJESA-N 2 1 338.499 3.029 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC000548858586 315055590 /nfs/dbraw/zinc/05/55/90/315055590.db2.gz OJBKBQXZTALWOO-RLLQIKCJSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC000548858586 315055591 /nfs/dbraw/zinc/05/55/91/315055591.db2.gz OJBKBQXZTALWOO-RLLQIKCJSA-N 2 1 328.500 3.446 20 0 EGADMP CC(C)c1ccc(C[NH+]2CCN(CC[NH+]3CCCCC3)CC2)cc1 ZINC000549853537 315107241 /nfs/dbraw/zinc/10/72/41/315107241.db2.gz VUDQLEXILGPEFT-UHFFFAOYSA-N 2 1 329.532 3.414 20 0 EGADMP CC(C)C1CCC(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000554855838 315352871 /nfs/dbraw/zinc/35/28/71/315352871.db2.gz YAALOBXUGWXONM-WCHWRFHJSA-N 2 1 335.580 3.407 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000563372926 316010030 /nfs/dbraw/zinc/01/00/30/316010030.db2.gz BXSKWDMXGIROFX-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]4OCCC[C@@H]34)CC23CC3)cc1 ZINC000563810839 316072546 /nfs/dbraw/zinc/07/25/46/316072546.db2.gz VYSMZFONOZFINE-VNTMZGSJSA-N 2 1 326.484 3.341 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]4OCCC[C@@H]34)CC23CC3)cc1 ZINC000563810839 316072548 /nfs/dbraw/zinc/07/25/48/316072548.db2.gz VYSMZFONOZFINE-VNTMZGSJSA-N 2 1 326.484 3.341 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)N2CCCCC2)cc1 ZINC000563898698 316087503 /nfs/dbraw/zinc/08/75/03/316087503.db2.gz OXBZBJLMFJWHQB-BJLQDIEVSA-N 2 1 331.504 3.082 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12 ZINC000564070206 316108753 /nfs/dbraw/zinc/10/87/53/316108753.db2.gz PXIMPWUNAQFMQT-AYWYSENESA-N 2 1 329.532 3.215 20 0 EGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000564070206 316108756 /nfs/dbraw/zinc/10/87/56/316108756.db2.gz PXIMPWUNAQFMQT-AYWYSENESA-N 2 1 329.532 3.215 20 0 EGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000564070206 316108757 /nfs/dbraw/zinc/10/87/57/316108757.db2.gz PXIMPWUNAQFMQT-AYWYSENESA-N 2 1 329.532 3.215 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CN[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000564319471 316135159 /nfs/dbraw/zinc/13/51/59/316135159.db2.gz SNOLSPAYLBNFMQ-TYPHKJRUSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000564319471 316135162 /nfs/dbraw/zinc/13/51/62/316135162.db2.gz SNOLSPAYLBNFMQ-TYPHKJRUSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000564319471 316135167 /nfs/dbraw/zinc/13/51/67/316135167.db2.gz SNOLSPAYLBNFMQ-TYPHKJRUSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000564319471 316135170 /nfs/dbraw/zinc/13/51/70/316135170.db2.gz SNOLSPAYLBNFMQ-TYPHKJRUSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000564319471 316135172 /nfs/dbraw/zinc/13/51/72/316135172.db2.gz SNOLSPAYLBNFMQ-TYPHKJRUSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000564319471 316135175 /nfs/dbraw/zinc/13/51/75/316135175.db2.gz SNOLSPAYLBNFMQ-TYPHKJRUSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000564319471 316135176 /nfs/dbraw/zinc/13/51/76/316135176.db2.gz SNOLSPAYLBNFMQ-TYPHKJRUSA-N 3 1 329.532 3.217 20 0 EGADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000565164150 316279054 /nfs/dbraw/zinc/27/90/54/316279054.db2.gz MBUODWYRVNPQPF-XJKSGUPXSA-N 2 1 332.410 3.401 20 0 EGADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000565164150 316279057 /nfs/dbraw/zinc/27/90/57/316279057.db2.gz MBUODWYRVNPQPF-XJKSGUPXSA-N 2 1 332.410 3.401 20 0 EGADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000565164150 316279061 /nfs/dbraw/zinc/27/90/61/316279061.db2.gz MBUODWYRVNPQPF-XJKSGUPXSA-N 2 1 332.410 3.401 20 0 EGADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000565164150 316279065 /nfs/dbraw/zinc/27/90/65/316279065.db2.gz MBUODWYRVNPQPF-XJKSGUPXSA-N 2 1 332.410 3.401 20 0 EGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cncc(Br)c2)CC1 ZINC000565243563 316297875 /nfs/dbraw/zinc/29/78/75/316297875.db2.gz NOCBFLKQMVOARZ-GFCCVEGCSA-N 2 1 326.282 3.368 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cncc(Br)c1 ZINC000565247038 316298862 /nfs/dbraw/zinc/29/88/62/316298862.db2.gz RLTYNYCHIIMSQY-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP CCc1noc(CC)c1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000565416091 316321226 /nfs/dbraw/zinc/32/12/26/316321226.db2.gz STIAIIZNZXDVIV-XLIONFOSSA-N 2 1 341.455 3.145 20 0 EGADMP CC[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C(C)(C)C ZINC000565666498 316354370 /nfs/dbraw/zinc/35/43/70/316354370.db2.gz REXVHLPTSOJMDU-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@]3(C)CCCC[C@@H]3C)CC2)CC1 ZINC000565727131 316362961 /nfs/dbraw/zinc/36/29/61/316362961.db2.gz YLHDTBUEIXUPEF-UWJYYQICSA-N 2 1 349.563 3.268 20 0 EGADMP COCCSc1ccc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1 ZINC000565841269 316377747 /nfs/dbraw/zinc/37/77/47/316377747.db2.gz PDPPPEHJESLZOX-OAHLLOKOSA-N 2 1 333.501 3.442 20 0 EGADMP [NH3+]CCC1CC[NH+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000566317403 316456304 /nfs/dbraw/zinc/45/63/04/316456304.db2.gz NIIWGTFMGVDGJC-UHFFFAOYSA-N 2 1 331.485 3.283 20 0 EGADMP CC[NH+]1CCC(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000569539559 316927869 /nfs/dbraw/zinc/92/78/69/316927869.db2.gz SIXRJPDZHALHCX-UHFFFAOYSA-N 3 1 347.522 3.154 20 0 EGADMP Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NC[C@@H](O)C[NH+](C)C1CC1 ZINC000570325775 317040213 /nfs/dbraw/zinc/04/02/13/317040213.db2.gz XQHDOMNKHHRPMC-QFBILLFUSA-N 2 1 331.504 3.241 20 0 EGADMP Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NC[C@@H](O)C[NH+](C)C1CC1 ZINC000570325775 317040216 /nfs/dbraw/zinc/04/02/16/317040216.db2.gz XQHDOMNKHHRPMC-QFBILLFUSA-N 2 1 331.504 3.241 20 0 EGADMP Cc1cc([NH+]2CCCC[C@@H]2C)ccc1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000570325775 317040219 /nfs/dbraw/zinc/04/02/19/317040219.db2.gz XQHDOMNKHHRPMC-QFBILLFUSA-N 2 1 331.504 3.241 20 0 EGADMP Cc1cc([NH+]2CCCC[C@@H]2C)ccc1NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000570325775 317040222 /nfs/dbraw/zinc/04/02/22/317040222.db2.gz XQHDOMNKHHRPMC-QFBILLFUSA-N 2 1 331.504 3.241 20 0 EGADMP CC[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000571711182 317236102 /nfs/dbraw/zinc/23/61/02/317236102.db2.gz ZPZDYSAUQAPTEW-NQIIRXRSSA-N 2 1 346.515 3.454 20 0 EGADMP c1nc2ccccn2c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000572170407 317301209 /nfs/dbraw/zinc/30/12/09/317301209.db2.gz PMBSDIOVDVUYCK-WOJBJXKFSA-N 2 1 346.478 3.288 20 0 EGADMP c1nc2ccccn2c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000572170407 317301214 /nfs/dbraw/zinc/30/12/14/317301214.db2.gz PMBSDIOVDVUYCK-WOJBJXKFSA-N 2 1 346.478 3.288 20 0 EGADMP c1nc2ccccn2c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000572170407 317301218 /nfs/dbraw/zinc/30/12/18/317301218.db2.gz PMBSDIOVDVUYCK-WOJBJXKFSA-N 2 1 346.478 3.288 20 0 EGADMP c1nc2ccccn2c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000572170407 317301221 /nfs/dbraw/zinc/30/12/21/317301221.db2.gz PMBSDIOVDVUYCK-WOJBJXKFSA-N 2 1 346.478 3.288 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000177902048 323347673 /nfs/dbraw/zinc/34/76/73/323347673.db2.gz VLGQSQYHWCALLZ-IOASZLSFSA-N 2 1 330.394 3.403 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000575932166 324511398 /nfs/dbraw/zinc/51/13/98/324511398.db2.gz CTOMNOVFBLBXRC-RBUKOAKNSA-N 2 1 327.472 3.326 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCC(C)(C)CC2)[C@H](C)C1 ZINC000579733400 325153133 /nfs/dbraw/zinc/15/31/33/325153133.db2.gz CEZNFWIJKRWXPL-QZTJIDSGSA-N 2 1 340.552 3.044 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000580427255 325248757 /nfs/dbraw/zinc/24/87/57/325248757.db2.gz MDQVKVWYRZILKV-BBRMVZONSA-N 2 1 330.394 3.400 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000580427255 325248758 /nfs/dbraw/zinc/24/87/58/325248758.db2.gz MDQVKVWYRZILKV-BBRMVZONSA-N 2 1 330.394 3.400 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000580427255 325248760 /nfs/dbraw/zinc/24/87/60/325248760.db2.gz MDQVKVWYRZILKV-BBRMVZONSA-N 2 1 330.394 3.400 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000580427255 325248762 /nfs/dbraw/zinc/24/87/62/325248762.db2.gz MDQVKVWYRZILKV-BBRMVZONSA-N 2 1 330.394 3.400 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000580644418 325277896 /nfs/dbraw/zinc/27/78/96/325277896.db2.gz QFJFKVPUNCYAIJ-HKUYNNGSSA-N 2 1 345.531 3.341 20 0 EGADMP C[N@@H+](CCC[NH3+])Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000580647538 325278202 /nfs/dbraw/zinc/27/82/02/325278202.db2.gz SJKLLLGFJRIKDE-UHFFFAOYSA-N 2 1 325.172 3.249 20 0 EGADMP CC(C)(C)[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000581052238 325324617 /nfs/dbraw/zinc/32/46/17/325324617.db2.gz GYTVNWGJSCFYNE-GOSISDBHSA-N 2 1 335.536 3.116 20 0 EGADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000581052238 325324619 /nfs/dbraw/zinc/32/46/19/325324619.db2.gz GYTVNWGJSCFYNE-GOSISDBHSA-N 2 1 335.536 3.116 20 0 EGADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000581052238 325324622 /nfs/dbraw/zinc/32/46/22/325324622.db2.gz GYTVNWGJSCFYNE-GOSISDBHSA-N 2 1 335.536 3.116 20 0 EGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1c2ccc(F)cc2O[C@H]1C ZINC000582203681 325422321 /nfs/dbraw/zinc/42/23/21/325422321.db2.gz OUONPXNZRLZGOV-ORAYPTAESA-N 2 1 338.386 3.327 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CCN(c2[nH+]ccc3ccc(C)cc32)C1 ZINC000583561233 325534215 /nfs/dbraw/zinc/53/42/15/325534215.db2.gz JNGUDZHWPPOAGS-SFHVURJKSA-N 2 1 327.472 3.480 20 0 EGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356910801 457213616 /nfs/dbraw/zinc/21/36/16/457213616.db2.gz YZFMRWDJSQFAGZ-CABCVRRESA-N 2 1 335.458 3.113 20 0 EGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356910801 457213619 /nfs/dbraw/zinc/21/36/19/457213619.db2.gz YZFMRWDJSQFAGZ-CABCVRRESA-N 2 1 335.458 3.113 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000355383471 457367617 /nfs/dbraw/zinc/36/76/17/457367617.db2.gz SLIMAPXIRHXCBX-CJNGLKHVSA-N 2 1 339.911 3.226 20 0 EGADMP c1cn(CCC[NH2+][C@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000183125018 455234100 /nfs/dbraw/zinc/23/41/00/455234100.db2.gz SFPINVGBBLVFFH-NJYVYQBISA-N 2 1 338.499 3.164 20 0 EGADMP Cn1ccnc1[C@@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000183262931 455264618 /nfs/dbraw/zinc/26/46/18/455264618.db2.gz VNFORPRAHYPQDY-QAPCUYQASA-N 2 1 344.528 3.435 20 0 EGADMP Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000183262931 455264620 /nfs/dbraw/zinc/26/46/20/455264620.db2.gz VNFORPRAHYPQDY-QAPCUYQASA-N 2 1 344.528 3.435 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@H](C)N2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000245717522 455363202 /nfs/dbraw/zinc/36/32/02/455363202.db2.gz UGTXIZRSHYNQMF-LNLFQRSKSA-N 2 1 340.471 3.410 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCS[C@H]2COCC[C@H]21 ZINC000245753995 455374480 /nfs/dbraw/zinc/37/44/80/455374480.db2.gz HJAPJWBWUJWWCB-MOPGFXCFSA-N 2 1 348.556 3.351 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCS[C@H]2COCC[C@H]21 ZINC000245753995 455374482 /nfs/dbraw/zinc/37/44/82/455374482.db2.gz HJAPJWBWUJWWCB-MOPGFXCFSA-N 2 1 348.556 3.351 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000245753995 455374485 /nfs/dbraw/zinc/37/44/85/455374485.db2.gz HJAPJWBWUJWWCB-MOPGFXCFSA-N 2 1 348.556 3.351 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000245753995 455374489 /nfs/dbraw/zinc/37/44/89/455374489.db2.gz HJAPJWBWUJWWCB-MOPGFXCFSA-N 2 1 348.556 3.351 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000081362804 453865385 /nfs/dbraw/zinc/86/53/85/453865385.db2.gz JVJMGJFZOORKTL-UYAOXDASSA-N 2 1 345.531 3.260 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000076000987 453947845 /nfs/dbraw/zinc/94/78/45/453947845.db2.gz WHZIBEMEMLZOID-HNNXBMFYSA-N 2 1 337.895 3.332 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]CC[C@@H](C)[NH+]3CCCCC3)c(C)n2n1 ZINC000184500828 455391346 /nfs/dbraw/zinc/39/13/46/455391346.db2.gz VXHKGNHNBCADHO-CVEARBPZSA-N 2 1 329.492 3.261 20 0 EGADMP C[NH+](C)CCc1ccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000076222457 453980679 /nfs/dbraw/zinc/98/06/79/453980679.db2.gz GWFLEIGZYBPPOX-IBGZPJMESA-N 2 1 325.456 3.032 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522441 454064270 /nfs/dbraw/zinc/06/42/70/454064270.db2.gz VSVMQKDTBAHHSS-CQSZACIVSA-N 2 1 337.895 3.331 20 0 EGADMP Cc1ccccc1-c1noc(C[NH+]2CCC(CC[NH+](C)C)CC2)n1 ZINC000056525177 454064973 /nfs/dbraw/zinc/06/49/73/454064973.db2.gz GNQKYXARKPHVGT-UHFFFAOYSA-N 2 1 328.460 3.209 20 0 EGADMP Cc1nnc([C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000069566167 454119050 /nfs/dbraw/zinc/11/90/50/454119050.db2.gz ALKZNIPRWXVQKG-HNNXBMFYSA-N 2 1 328.460 3.283 20 0 EGADMP Cc1nnc([C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000069566167 454119055 /nfs/dbraw/zinc/11/90/55/454119055.db2.gz ALKZNIPRWXVQKG-HNNXBMFYSA-N 2 1 328.460 3.283 20 0 EGADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000175004947 455419839 /nfs/dbraw/zinc/41/98/39/455419839.db2.gz MQFAJNPKFDOYAT-QGZVFWFLSA-N 2 1 347.547 3.164 20 0 EGADMP Clc1ccc(-c2noc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000089555877 454162021 /nfs/dbraw/zinc/16/20/21/454162021.db2.gz MGLXXVRZJYBDAK-JKSUJKDBSA-N 2 1 346.862 3.149 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000246065132 455420110 /nfs/dbraw/zinc/42/01/10/455420110.db2.gz DNLOHQDKYZOMJP-JSGCOSHPSA-N 2 1 326.868 3.320 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000246065132 455420117 /nfs/dbraw/zinc/42/01/17/455420117.db2.gz DNLOHQDKYZOMJP-JSGCOSHPSA-N 2 1 326.868 3.320 20 0 EGADMP Cc1cc(N2CCC[N@@H+](CCO)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000131556840 454264027 /nfs/dbraw/zinc/26/40/27/454264027.db2.gz JXQZNDCFBTVNIY-UHFFFAOYSA-N 2 1 333.863 3.009 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2Oc2ccccc2C)CC1 ZINC000090593054 454326181 /nfs/dbraw/zinc/32/61/81/454326181.db2.gz FDOHUUYDMSBVHY-CTNGQTDRSA-N 2 1 346.515 3.385 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC1CC[NH+](Cc2cccnc2)CC1 ZINC000090666867 454334841 /nfs/dbraw/zinc/33/48/41/454334841.db2.gz JPNSWNMBYKKCEK-OAQYLSRUSA-N 2 1 344.547 3.146 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061634647 454351489 /nfs/dbraw/zinc/35/14/89/454351489.db2.gz QOXZKAHLZNKXFU-UHFFFAOYSA-N 2 1 331.504 3.019 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)CC[C@H]1C(F)(F)F ZINC000629562794 460810482 /nfs/dbraw/zinc/81/04/82/460810482.db2.gz CEBCTWOITMRHGM-BXUZGUMPSA-N 2 1 336.785 3.178 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)CC[C@H]1C(F)(F)F ZINC000629562794 460810489 /nfs/dbraw/zinc/81/04/89/460810489.db2.gz CEBCTWOITMRHGM-BXUZGUMPSA-N 2 1 336.785 3.178 20 0 EGADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+](C)CC1 ZINC000121188594 454403435 /nfs/dbraw/zinc/40/34/35/454403435.db2.gz PSVSNJLLFIMQFH-GFCCVEGCSA-N 2 1 343.393 3.106 20 0 EGADMP COc1ccc([C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C(C)C)cc1 ZINC000091336483 454429058 /nfs/dbraw/zinc/42/90/58/454429058.db2.gz DCHQYZMKJDFYLC-QUCCMNQESA-N 2 1 334.504 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000098144370 454462705 /nfs/dbraw/zinc/46/27/05/454462705.db2.gz OYBKCCBZOYQBFS-WMLDXEAASA-N 2 1 344.421 3.449 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000104137003 454575450 /nfs/dbraw/zinc/57/54/50/454575450.db2.gz QCOGNYQFPNPGBZ-HXUWFJFHSA-N 2 1 343.515 3.163 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccc4[nH]ccc43)CC2)C[C@H](C)O1 ZINC000092587568 454591234 /nfs/dbraw/zinc/59/12/34/454591234.db2.gz BSBAFWSBQMGLKW-CALCHBBNSA-N 2 1 341.499 3.489 20 0 EGADMP COc1cc[nH+]c(N2CCN([C@H](C)c3cc(F)ccc3F)CC2)c1 ZINC000104720170 454598274 /nfs/dbraw/zinc/59/82/74/454598274.db2.gz IHJVMRXKRXSLSB-CYBMUJFWSA-N 2 1 333.382 3.252 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000104857652 454608203 /nfs/dbraw/zinc/60/82/03/454608203.db2.gz RZWYBHGWUMHYJB-VQIMIIECSA-N 2 1 342.487 3.027 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000052210421 454661745 /nfs/dbraw/zinc/66/17/45/454661745.db2.gz BNPBUKLIVYHGFA-SFHVURJKSA-N 2 1 349.906 3.077 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000052210421 454661751 /nfs/dbraw/zinc/66/17/51/454661751.db2.gz BNPBUKLIVYHGFA-SFHVURJKSA-N 2 1 349.906 3.077 20 0 EGADMP C[C@H](NCC[NH+]1CCCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000123969043 454691241 /nfs/dbraw/zinc/69/12/41/454691241.db2.gz JABBBPFEZVHASJ-SFHVURJKSA-N 2 1 333.520 3.154 20 0 EGADMP CCc1nc2ccccc2n1C1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000093301983 454701236 /nfs/dbraw/zinc/70/12/36/454701236.db2.gz ZQOHXOILTQOLON-UHFFFAOYSA-N 2 1 337.471 3.441 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000161606927 454707888 /nfs/dbraw/zinc/70/78/88/454707888.db2.gz GAXJSXGXXVCMBL-QGZVFWFLSA-N 3 1 333.520 3.152 20 0 EGADMP CCCN1CCC([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000161606927 454707893 /nfs/dbraw/zinc/70/78/93/454707893.db2.gz GAXJSXGXXVCMBL-QGZVFWFLSA-N 2 1 333.520 3.152 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC2CC[NH+](CC3CC3)CC2)c1 ZINC000161714249 454716272 /nfs/dbraw/zinc/71/62/72/454716272.db2.gz VGRYWKQHZHOKOY-UHFFFAOYSA-N 3 1 329.532 3.491 20 0 EGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000161714249 454716276 /nfs/dbraw/zinc/71/62/76/454716276.db2.gz VGRYWKQHZHOKOY-UHFFFAOYSA-N 3 1 329.532 3.491 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000161714249 454716279 /nfs/dbraw/zinc/71/62/79/454716279.db2.gz VGRYWKQHZHOKOY-UHFFFAOYSA-N 2 1 329.532 3.491 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000124371859 454724566 /nfs/dbraw/zinc/72/45/66/454724566.db2.gz VZLFPEJLLWFCTJ-SFHVURJKSA-N 2 1 333.545 3.087 20 0 EGADMP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000635006762 460650691 /nfs/dbraw/zinc/65/06/91/460650691.db2.gz SMYUUNAQQRBJNS-OHLDOZIISA-N 3 1 341.543 3.394 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000093769425 454734203 /nfs/dbraw/zinc/73/42/03/454734203.db2.gz FSAHGMGZKRREAN-UHFFFAOYSA-N 2 1 344.503 3.133 20 0 EGADMP COc1ccc([C@H]2CCC[N@H+]2CCCn2ccnc2C)cc1OC ZINC000136352647 454736895 /nfs/dbraw/zinc/73/68/95/454736895.db2.gz GUEHPKNELIHNNY-QGZVFWFLSA-N 2 1 329.444 3.436 20 0 EGADMP COc1ccc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2C)cc1OC ZINC000136352647 454736903 /nfs/dbraw/zinc/73/69/03/454736903.db2.gz GUEHPKNELIHNNY-QGZVFWFLSA-N 2 1 329.444 3.436 20 0 EGADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000124473177 454737316 /nfs/dbraw/zinc/73/73/16/454737316.db2.gz WLYBIYHYAHAVIZ-ROUUACIJSA-N 2 1 347.547 3.050 20 0 EGADMP Cc1ccccc1C[NH+]1CCC(N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000162144447 454754570 /nfs/dbraw/zinc/75/45/70/454754570.db2.gz QAVGDYOZBSXUEW-BBTUJRGHSA-N 2 1 329.532 3.278 20 0 EGADMP CN(C(=O)CC(C)(C)C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124851314 454775864 /nfs/dbraw/zinc/77/58/64/454775864.db2.gz NGIAOFBTTNVZBI-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CCOc1ccc(NC(=O)CC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000137691589 454783970 /nfs/dbraw/zinc/78/39/70/454783970.db2.gz VBOMVSCKVUKGQP-SFHVURJKSA-N 2 1 347.503 3.220 20 0 EGADMP CCOc1ccc(NC(=O)CC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000137691589 454783975 /nfs/dbraw/zinc/78/39/75/454783975.db2.gz VBOMVSCKVUKGQP-SFHVURJKSA-N 2 1 347.503 3.220 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC[C@H]1CCC[N@H+](C)C1 ZINC000108428773 454797977 /nfs/dbraw/zinc/79/79/77/454797977.db2.gz HWRVTFQRPHLLEA-OAHLLOKOSA-N 2 1 348.441 3.199 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000108428773 454797984 /nfs/dbraw/zinc/79/79/84/454797984.db2.gz HWRVTFQRPHLLEA-OAHLLOKOSA-N 2 1 348.441 3.199 20 0 EGADMP C[C@@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000153713580 454824093 /nfs/dbraw/zinc/82/40/93/454824093.db2.gz CISTVZYITFGOPD-IEBWSBKVSA-N 2 1 345.531 3.295 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(C2CCCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000153713580 454824094 /nfs/dbraw/zinc/82/40/94/454824094.db2.gz CISTVZYITFGOPD-IEBWSBKVSA-N 2 1 345.531 3.295 20 0 EGADMP CCn1cc([C@H](C)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000165319958 454898215 /nfs/dbraw/zinc/89/82/15/454898215.db2.gz LFRWTNSMEIVYKP-HKUYNNGSSA-N 2 1 326.488 3.118 20 0 EGADMP CCn1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000165319958 454898219 /nfs/dbraw/zinc/89/82/19/454898219.db2.gz LFRWTNSMEIVYKP-HKUYNNGSSA-N 2 1 326.488 3.118 20 0 EGADMP CCn1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000165319958 454898222 /nfs/dbraw/zinc/89/82/22/454898222.db2.gz LFRWTNSMEIVYKP-HKUYNNGSSA-N 2 1 326.488 3.118 20 0 EGADMP CC(C)[NH2+]CCC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000165340377 454899367 /nfs/dbraw/zinc/89/93/67/454899367.db2.gz LZCCAVXGSALECC-UHFFFAOYSA-N 2 1 328.460 3.381 20 0 EGADMP CC[N@H+]1CC[C@H](N[C@@H](CC[NH+](C)CCOC)c2ccccc2)[C@H](C)C1 ZINC000165987237 454906920 /nfs/dbraw/zinc/90/69/20/454906920.db2.gz CTFJDFGVRLDDJY-GIVPXCGWSA-N 2 1 347.547 3.016 20 0 EGADMP CC[NH+]1CC[C@H](N[C@@H](CC[N@H+](C)CCOC)c2ccccc2)[C@H](C)C1 ZINC000165987237 454906924 /nfs/dbraw/zinc/90/69/24/454906924.db2.gz CTFJDFGVRLDDJY-GIVPXCGWSA-N 2 1 347.547 3.016 20 0 EGADMP CC[NH+]1CC[C@H](N[C@@H](CC[N@@H+](C)CCOC)c2ccccc2)[C@H](C)C1 ZINC000165987237 454906928 /nfs/dbraw/zinc/90/69/28/454906928.db2.gz CTFJDFGVRLDDJY-GIVPXCGWSA-N 3 1 347.547 3.016 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(F)cc2C)[C@H](C)C1 ZINC000166885634 454916745 /nfs/dbraw/zinc/91/67/45/454916745.db2.gz DRFAARHYGATEGQ-YLJYHZDGSA-N 2 1 336.495 3.403 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000178005416 454926327 /nfs/dbraw/zinc/92/63/27/454926327.db2.gz PCFJCEVKHCZHQD-FQEVSTJZSA-N 2 1 329.532 3.416 20 0 EGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000151082935 454934639 /nfs/dbraw/zinc/93/46/39/454934639.db2.gz SSYNPYCAGFEZLE-AWEZNQCLSA-N 2 1 335.458 3.113 20 0 EGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000151082935 454934641 /nfs/dbraw/zinc/93/46/41/454934641.db2.gz SSYNPYCAGFEZLE-AWEZNQCLSA-N 2 1 335.458 3.113 20 0 EGADMP Cc1ccc(N2CCC(C(=O)Nc3ccc([C@@H](C)[NH3+])cc3)CC2)[nH+]c1 ZINC000178188643 454941595 /nfs/dbraw/zinc/94/15/95/454941595.db2.gz CZARDNIDWBDSSA-OAHLLOKOSA-N 2 1 338.455 3.265 20 0 EGADMP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000155023960 454954578 /nfs/dbraw/zinc/95/45/78/454954578.db2.gz BOPHPUUDQAWIRA-DNVCBOLYSA-N 2 1 338.442 3.460 20 0 EGADMP CC[C@H](c1ccc(F)cc1F)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000155023960 454954584 /nfs/dbraw/zinc/95/45/84/454954584.db2.gz BOPHPUUDQAWIRA-DNVCBOLYSA-N 2 1 338.442 3.460 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(OC(F)(F)F)c1 ZINC000151379784 454977337 /nfs/dbraw/zinc/97/73/37/454977337.db2.gz BDXMKGPHDIQFJQ-ZDUSSCGKSA-N 2 1 346.393 3.083 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000178850190 454984083 /nfs/dbraw/zinc/98/40/83/454984083.db2.gz FLJMQHHDVUPEFX-LJQANCHMSA-N 2 1 331.504 3.067 20 0 EGADMP C[N@H+]1CCC[C@H]2CN(Cc3nnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000155359184 454991168 /nfs/dbraw/zinc/99/11/68/454991168.db2.gz UUBPNCJGFUMZAP-HOTGVXAUSA-N 2 1 328.485 3.121 20 0 EGADMP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000155844421 455052216 /nfs/dbraw/zinc/05/22/16/455052216.db2.gz LEDSBMCTMPBJHO-MRXNPFEDSA-N 2 1 340.533 3.250 20 0 EGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C[C@H](C)O1 ZINC000171307198 455060191 /nfs/dbraw/zinc/06/01/91/455060191.db2.gz CQCYQMZRXZZCKH-GJZGRUSLSA-N 2 1 338.442 3.286 20 0 EGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000623654746 460661185 /nfs/dbraw/zinc/66/11/85/460661185.db2.gz HZROCHIXKGMVRS-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000623654746 460661191 /nfs/dbraw/zinc/66/11/91/460661191.db2.gz HZROCHIXKGMVRS-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)[C@H](C)C1 ZINC000156319173 455104182 /nfs/dbraw/zinc/10/41/82/455104182.db2.gz HQKSKUBYANEXQU-YLJYHZDGSA-N 2 1 339.483 3.481 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)[C@H](C)C1 ZINC000156319173 455104184 /nfs/dbraw/zinc/10/41/84/455104184.db2.gz HQKSKUBYANEXQU-YLJYHZDGSA-N 2 1 339.483 3.481 20 0 EGADMP C[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)[C@@H]1CCOC1 ZINC000179955718 455105473 /nfs/dbraw/zinc/10/54/73/455105473.db2.gz IBZDWKVSCYONEX-FUHWJXTLSA-N 2 1 331.504 3.302 20 0 EGADMP CCC[C@H](C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1)c1ccccc1 ZINC000180069612 455126766 /nfs/dbraw/zinc/12/67/66/455126766.db2.gz HAMLVPAWUCXOHU-RTWAWAEBSA-N 2 1 329.532 3.282 20 0 EGADMP COc1ccccc1[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000119192918 455132347 /nfs/dbraw/zinc/13/23/47/455132347.db2.gz KZHNXLABBJEGKI-HBFSDRIKSA-N 2 1 345.531 3.295 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2OC)[C@H](C)C1 ZINC000156949058 455158005 /nfs/dbraw/zinc/15/80/05/455158005.db2.gz PANYCWBUDIPUEX-AOIWGVFYSA-N 2 1 334.504 3.483 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2OC)[C@H](C)C1 ZINC000156949058 455158007 /nfs/dbraw/zinc/15/80/07/455158007.db2.gz PANYCWBUDIPUEX-AOIWGVFYSA-N 2 1 334.504 3.483 20 0 EGADMP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(Cl)cc2F)ccn1 ZINC000189412401 455191974 /nfs/dbraw/zinc/19/19/74/455191974.db2.gz POTJIGNQJUGBOT-UHFFFAOYSA-N 2 1 337.826 3.104 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCCCCC[NH3+])C1 ZINC000237553739 455194512 /nfs/dbraw/zinc/19/45/12/455194512.db2.gz PQSXKQHJVBEGDB-GOSISDBHSA-N 2 1 345.531 3.444 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC000157600581 455212084 /nfs/dbraw/zinc/21/20/84/455212084.db2.gz ABFRLDXVFIOYOZ-PKOBYXMFSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CCOCC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000189521797 455213113 /nfs/dbraw/zinc/21/31/13/455213113.db2.gz GRCXTIKPVMMEMN-NVXWUHKLSA-N 2 1 326.431 3.253 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CCOCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000189521797 455213117 /nfs/dbraw/zinc/21/31/17/455213117.db2.gz GRCXTIKPVMMEMN-NVXWUHKLSA-N 2 1 326.431 3.253 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)CCOCC(F)F)CC[NH+]1Cc1ccccc1 ZINC000189521797 455213119 /nfs/dbraw/zinc/21/31/19/455213119.db2.gz GRCXTIKPVMMEMN-NVXWUHKLSA-N 2 1 326.431 3.253 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)CCOCC(F)F)CC[NH+]1Cc1ccccc1 ZINC000189521797 455213124 /nfs/dbraw/zinc/21/31/24/455213124.db2.gz GRCXTIKPVMMEMN-NVXWUHKLSA-N 2 1 326.431 3.253 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cc1F ZINC000180641603 455216047 /nfs/dbraw/zinc/21/60/47/455216047.db2.gz YIRFWSTWFKVHPS-KSSFIOAISA-N 2 1 346.421 3.382 20 0 EGADMP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158971712 455341763 /nfs/dbraw/zinc/34/17/63/455341763.db2.gz ATXKODODGAVGKS-SJORKVTESA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)[C@@H](C)C1 ZINC000246340159 455473323 /nfs/dbraw/zinc/47/33/23/455473323.db2.gz GVMPRCMYIYSIAG-UWJYYQICSA-N 2 1 346.515 3.202 20 0 EGADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182259686 455474220 /nfs/dbraw/zinc/47/42/20/455474220.db2.gz YWICFHXMHFEANG-JXFKEZNVSA-N 2 1 340.467 3.113 20 0 EGADMP Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)s1 ZINC000182269371 455476846 /nfs/dbraw/zinc/47/68/46/455476846.db2.gz PQAPJHJRUVXHKT-ACJLOTCBSA-N 2 1 345.512 3.177 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000191480125 455488568 /nfs/dbraw/zinc/48/85/68/455488568.db2.gz JRBVBIMDUWKBAO-FGTMMUONSA-N 2 1 348.535 3.336 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000191480125 455488573 /nfs/dbraw/zinc/48/85/73/455488573.db2.gz JRBVBIMDUWKBAO-FGTMMUONSA-N 2 1 348.535 3.336 20 0 EGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000246452025 455492570 /nfs/dbraw/zinc/49/25/70/455492570.db2.gz PGUHGWCJLSEQCK-PWIZWCRZSA-N 2 1 346.515 3.422 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCOc1cccc2cccnc21 ZINC000185197267 455520099 /nfs/dbraw/zinc/52/00/99/455520099.db2.gz SIGISRBQWBJMKP-UHFFFAOYSA-N 2 1 336.439 3.255 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247053232 455551914 /nfs/dbraw/zinc/55/19/14/455551914.db2.gz NJVOMQKRCJZLQT-QWFCFKBJSA-N 3 1 347.547 3.226 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000247053232 455551916 /nfs/dbraw/zinc/55/19/16/455551916.db2.gz NJVOMQKRCJZLQT-QWFCFKBJSA-N 3 1 347.547 3.226 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247053232 455551919 /nfs/dbraw/zinc/55/19/19/455551919.db2.gz NJVOMQKRCJZLQT-QWFCFKBJSA-N 3 1 347.547 3.226 20 0 EGADMP COc1ccccc1CCC[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000182667140 455564124 /nfs/dbraw/zinc/56/41/24/455564124.db2.gz UCRRHAGUVKSPLF-KRWDZBQOSA-N 2 1 327.472 3.316 20 0 EGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2ccoc2C(=O)OC)CC1 ZINC000182770383 455583939 /nfs/dbraw/zinc/58/39/39/455583939.db2.gz LAGFMUNXWUONDW-UHFFFAOYSA-N 2 1 336.476 3.400 20 0 EGADMP CCc1ccccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185659486 455591377 /nfs/dbraw/zinc/59/13/77/455591377.db2.gz XTPPVIJFFBOVMV-SJLPKXTDSA-N 2 1 343.515 3.430 20 0 EGADMP CCc1ccccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185659486 455591379 /nfs/dbraw/zinc/59/13/79/455591379.db2.gz XTPPVIJFFBOVMV-SJLPKXTDSA-N 2 1 343.515 3.430 20 0 EGADMP Cc1ccc(C)c(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185664841 455591586 /nfs/dbraw/zinc/59/15/86/455591586.db2.gz FFGYMMBYYQNONN-QZTJIDSGSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1ccc(C)c(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185664841 455591587 /nfs/dbraw/zinc/59/15/87/455591587.db2.gz FFGYMMBYYQNONN-QZTJIDSGSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1ccc(C)c(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185664817 455591946 /nfs/dbraw/zinc/59/19/46/455591946.db2.gz FFGYMMBYYQNONN-ZWKOTPCHSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1ccc(C)c(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185664817 455591948 /nfs/dbraw/zinc/59/19/48/455591948.db2.gz FFGYMMBYYQNONN-ZWKOTPCHSA-N 2 1 343.515 3.485 20 0 EGADMP CC(C)N(C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000185690912 455598723 /nfs/dbraw/zinc/59/87/23/455598723.db2.gz OINDJCVBPSBNEQ-OKZBNKHCSA-N 2 1 337.552 3.263 20 0 EGADMP CC(C)N(C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000185690912 455598727 /nfs/dbraw/zinc/59/87/27/455598727.db2.gz OINDJCVBPSBNEQ-OKZBNKHCSA-N 2 1 337.552 3.263 20 0 EGADMP C[C@@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185767194 455617754 /nfs/dbraw/zinc/61/77/54/455617754.db2.gz MPKLUMRPMDMLHM-HZPDHXFCSA-N 2 1 347.478 3.397 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OCC3CC3)cc2)CCCO1 ZINC000277642605 455621382 /nfs/dbraw/zinc/62/13/82/455621382.db2.gz CYOGNPAXRIPVOP-KRWDZBQOSA-N 2 1 332.488 3.066 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OCC3CC3)cc2)CCCO1 ZINC000277642608 455621582 /nfs/dbraw/zinc/62/15/82/455621582.db2.gz CYOGNPAXRIPVOP-QGZVFWFLSA-N 2 1 332.488 3.066 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1F ZINC000271430846 455634623 /nfs/dbraw/zinc/63/46/23/455634623.db2.gz BAAHRRMUGZPOAU-OTWHNJEPSA-N 2 1 338.442 3.383 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248003952 455669830 /nfs/dbraw/zinc/66/98/30/455669830.db2.gz KQFOZYSJXQPYDM-DAYGRLMNSA-N 2 1 349.906 3.392 20 0 EGADMP CC(C)C[N@@H+]1CCO[C@@H](CN[C@H](C)c2ccccc2OC(F)F)C1 ZINC000248065384 455677023 /nfs/dbraw/zinc/67/70/23/455677023.db2.gz ZJIWALVPEYJFRN-CABCVRRESA-N 2 1 342.430 3.295 20 0 EGADMP CC(C)C[N@H+]1CCO[C@@H](CN[C@H](C)c2ccccc2OC(F)F)C1 ZINC000248065384 455677031 /nfs/dbraw/zinc/67/70/31/455677031.db2.gz ZJIWALVPEYJFRN-CABCVRRESA-N 2 1 342.430 3.295 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000192755006 455686761 /nfs/dbraw/zinc/68/67/61/455686761.db2.gz WOURDRFXTJYGOX-FPOVZHCZSA-N 2 1 329.532 3.281 20 0 EGADMP COc1ccsc1[C@@H](C)NCc1ccc(-n2ccnc2C)nc1 ZINC000186117388 455696465 /nfs/dbraw/zinc/69/64/65/455696465.db2.gz FSVWHNAIUTXAOT-GFCCVEGCSA-N 2 1 328.441 3.497 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000248345091 455705659 /nfs/dbraw/zinc/70/56/59/455705659.db2.gz MJNUEVFNMRVDTD-FVJLSDCUSA-N 2 1 345.506 3.303 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000248345091 455705664 /nfs/dbraw/zinc/70/56/64/455705664.db2.gz MJNUEVFNMRVDTD-FVJLSDCUSA-N 2 1 345.506 3.303 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1F ZINC000248450991 455715911 /nfs/dbraw/zinc/71/59/11/455715911.db2.gz PHPVIVWZSIHPRO-MAUKXSAKSA-N 2 1 328.431 3.243 20 0 EGADMP C[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000269045474 455774482 /nfs/dbraw/zinc/77/44/82/455774482.db2.gz UZVMMGYDRJOESB-KRWDZBQOSA-N 2 1 345.531 3.295 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000269045474 455774487 /nfs/dbraw/zinc/77/44/87/455774487.db2.gz UZVMMGYDRJOESB-KRWDZBQOSA-N 3 1 345.531 3.295 20 0 EGADMP CCN(CC)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000249776592 455775334 /nfs/dbraw/zinc/77/53/34/455775334.db2.gz XBTIUVFGVWBVSS-MSOLQXFVSA-N 2 1 345.531 3.408 20 0 EGADMP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C(=O)NC(C)(C)C ZINC000285048456 455782728 /nfs/dbraw/zinc/78/27/28/455782728.db2.gz IKBNYCBTORCQOK-IPJUCJBFSA-N 2 1 345.531 3.322 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000269196481 455808907 /nfs/dbraw/zinc/80/89/07/455808907.db2.gz VQHHPDPWWLSZJX-QFBILLFUSA-N 2 1 331.504 3.260 20 0 EGADMP COc1ccccc1O[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000285389721 455834256 /nfs/dbraw/zinc/83/42/56/455834256.db2.gz AEPUEUAERBMXQU-QGZVFWFLSA-N 2 1 329.444 3.134 20 0 EGADMP COc1ccccc1O[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000285389721 455834261 /nfs/dbraw/zinc/83/42/61/455834261.db2.gz AEPUEUAERBMXQU-QGZVFWFLSA-N 2 1 329.444 3.134 20 0 EGADMP C[N@@H+](CCOc1ccc(F)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285408852 455839621 /nfs/dbraw/zinc/83/96/21/455839621.db2.gz FUPHAUHWAKDUGK-YIONKMFJSA-N 2 1 326.843 3.415 20 0 EGADMP C[NH+](CCOc1ccc(F)cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285408852 455839624 /nfs/dbraw/zinc/83/96/24/455839624.db2.gz FUPHAUHWAKDUGK-YIONKMFJSA-N 2 1 326.843 3.415 20 0 EGADMP C[NH+](CCOc1ccc(F)cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285408852 455839626 /nfs/dbraw/zinc/83/96/26/455839626.db2.gz FUPHAUHWAKDUGK-YIONKMFJSA-N 2 1 326.843 3.415 20 0 EGADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285486654 455855493 /nfs/dbraw/zinc/85/54/93/455855493.db2.gz LTMXXFRCPPUXRA-SJPCQFCGSA-N 2 1 335.879 3.226 20 0 EGADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285486654 455855500 /nfs/dbraw/zinc/85/55/00/455855500.db2.gz LTMXXFRCPPUXRA-SJPCQFCGSA-N 2 1 335.879 3.226 20 0 EGADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285486654 455855503 /nfs/dbraw/zinc/85/55/03/455855503.db2.gz LTMXXFRCPPUXRA-SJPCQFCGSA-N 2 1 335.879 3.226 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]CCCn2cc[nH+]c2C)c(C)c1OC ZINC000285503907 455859249 /nfs/dbraw/zinc/85/92/49/455859249.db2.gz AHHCQQMHRFTARR-CQSZACIVSA-N 2 1 331.460 3.128 20 0 EGADMP CCn1cc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272329220 455915699 /nfs/dbraw/zinc/91/56/99/455915699.db2.gz MRQFGJBYVSDQNA-AOIWGVFYSA-N 2 1 326.488 3.464 20 0 EGADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC2CC[NH2+]CC2)[C@H]2CCCC[C@H]12 ZINC000261638280 455918088 /nfs/dbraw/zinc/91/80/88/455918088.db2.gz FLRSYXPZHWQLTO-UFHDJZAFSA-N 2 1 349.563 3.170 20 0 EGADMP C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272380757 455932456 /nfs/dbraw/zinc/93/24/56/455932456.db2.gz WHGODXSAIBMDMA-HQRMLTQVSA-N 2 1 338.499 3.298 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)[C@@H](C)C1 ZINC000280308926 455944060 /nfs/dbraw/zinc/94/40/60/455944060.db2.gz PKIJOMRDWVWWHW-WMLDXEAASA-N 2 1 344.421 3.490 20 0 EGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000261829642 455956403 /nfs/dbraw/zinc/95/64/03/455956403.db2.gz PXDKGRYIVLMELD-NRFANRHFSA-N 2 1 347.466 3.105 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)[C@H](C)C2 ZINC000272460370 455957156 /nfs/dbraw/zinc/95/71/56/455957156.db2.gz QOQATECXCBCHGU-YLJYHZDGSA-N 2 1 328.500 3.463 20 0 EGADMP COC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)C1CCOCC1 ZINC000187876008 455963969 /nfs/dbraw/zinc/96/39/69/455963969.db2.gz GMRLZDPRBYRHFM-FQEVSTJZSA-N 2 1 334.504 3.058 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000261886485 455966330 /nfs/dbraw/zinc/96/63/30/455966330.db2.gz VGMLBBGRXSCEGO-IEBWSBKVSA-N 2 1 343.515 3.067 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000261942003 455974686 /nfs/dbraw/zinc/97/46/86/455974686.db2.gz NQFFHCQCSUMTTI-QFBILLFUSA-N 2 1 341.499 3.389 20 0 EGADMP C[NH2+]CCC1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000261956233 455977770 /nfs/dbraw/zinc/97/77/70/455977770.db2.gz ORLVMJIYAYYDNX-UHFFFAOYSA-N 2 1 329.257 3.410 20 0 EGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000262032250 455987751 /nfs/dbraw/zinc/98/77/51/455987751.db2.gz XIFLKIMFYJAHNX-NWDGAFQWSA-N 2 1 338.377 3.265 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2coc(C[NH3+])c2)cc1 ZINC000188060690 455989927 /nfs/dbraw/zinc/98/99/27/455989927.db2.gz HVRCZWLMOZNEPY-OAHLLOKOSA-N 2 1 341.455 3.043 20 0 EGADMP CC(C)SCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286213161 456001502 /nfs/dbraw/zinc/00/15/02/456001502.db2.gz YKBLCNWGGISJJS-HXUWFJFHSA-N 2 1 347.572 3.020 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)CCC2)c1 ZINC000262132561 456001711 /nfs/dbraw/zinc/00/17/11/456001711.db2.gz OCDZYNWPLPOUCW-LPHOPBHVSA-N 2 1 332.488 3.051 20 0 EGADMP CS[C@H](CO)[C@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286336863 456026912 /nfs/dbraw/zinc/02/69/12/456026912.db2.gz YDBHESDKOIHZBC-GWFLUQINSA-N 2 1 336.545 3.132 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(C)c1OC ZINC000286331385 456027153 /nfs/dbraw/zinc/02/71/53/456027153.db2.gz XXPLRBKCDXUECE-HUUCEWRRSA-N 2 1 345.487 3.374 20 0 EGADMP Cc1cc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)cn2ccnc12 ZINC000296760290 456030918 /nfs/dbraw/zinc/03/09/18/456030918.db2.gz FGPGTTPKCQNUNQ-UHFFFAOYSA-N 2 1 341.459 3.125 20 0 EGADMP Cc1cc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cn2cc[nH+]c12 ZINC000296760290 456030921 /nfs/dbraw/zinc/03/09/21/456030921.db2.gz FGPGTTPKCQNUNQ-UHFFFAOYSA-N 2 1 341.459 3.125 20 0 EGADMP Cc1cc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)cn2cc[nH+]c12 ZINC000296760290 456030925 /nfs/dbraw/zinc/03/09/25/456030925.db2.gz FGPGTTPKCQNUNQ-UHFFFAOYSA-N 2 1 341.459 3.125 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC1 ZINC000272670628 456033115 /nfs/dbraw/zinc/03/31/15/456033115.db2.gz KJTUVIGVVPRSRQ-YPAWHYETSA-N 3 1 339.527 3.139 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000272670628 456033120 /nfs/dbraw/zinc/03/31/20/456033120.db2.gz KJTUVIGVVPRSRQ-YPAWHYETSA-N 3 1 339.527 3.139 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000272670628 456033124 /nfs/dbraw/zinc/03/31/24/456033124.db2.gz KJTUVIGVVPRSRQ-YPAWHYETSA-N 3 1 339.527 3.139 20 0 EGADMP CC[C@H](C)[NH+]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000296801206 456040356 /nfs/dbraw/zinc/04/03/56/456040356.db2.gz DXFBERCXTWZOPM-HNNXBMFYSA-N 2 1 343.471 3.051 20 0 EGADMP CC[C@@H](C)[NH+]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000296801210 456041143 /nfs/dbraw/zinc/04/11/43/456041143.db2.gz DXFBERCXTWZOPM-OAHLLOKOSA-N 2 1 343.471 3.051 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+]([C@@H]3Cc4ccccc4[C@H]3O)C2)CC1 ZINC000270846346 456051848 /nfs/dbraw/zinc/05/18/48/456051848.db2.gz WUGWVDMZJSXMRD-IOMROCGXSA-N 2 1 328.500 3.089 20 0 EGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000272848281 456089571 /nfs/dbraw/zinc/08/95/71/456089571.db2.gz ZQWBGPSEDIYEJD-NRFANRHFSA-N 2 1 349.478 3.414 20 0 EGADMP C[C@H]([NH2+]CCC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272880096 456098879 /nfs/dbraw/zinc/09/88/79/456098879.db2.gz XQZZYPRNQXOZEP-WMZOPIPTSA-N 2 1 332.488 3.218 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000281008260 456108427 /nfs/dbraw/zinc/10/84/27/456108427.db2.gz WMDLDUDOECCQNM-INIZCTEOSA-N 2 1 330.451 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000281008260 456108437 /nfs/dbraw/zinc/10/84/37/456108437.db2.gz WMDLDUDOECCQNM-INIZCTEOSA-N 2 1 330.451 3.221 20 0 EGADMP Cc1cc(NC(=O)NCCCCC[NH+]2CCCC2)cn2cc[nH+]c12 ZINC000297123044 456124604 /nfs/dbraw/zinc/12/46/04/456124604.db2.gz XYJUGUFTJVVGDM-UHFFFAOYSA-N 2 1 329.448 3.030 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000236667264 456165310 /nfs/dbraw/zinc/16/53/10/456165310.db2.gz GBDXSICTTUVZCT-UFYCRDLUSA-N 2 1 343.515 3.064 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236749487 456178521 /nfs/dbraw/zinc/17/85/21/456178521.db2.gz ZSPDFDHODUEHKQ-QXAKKESOSA-N 2 1 331.504 3.093 20 0 EGADMP COCOc1ccc(OC)cc1C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000271246102 456189908 /nfs/dbraw/zinc/18/99/08/456189908.db2.gz VNUJIWYDKRHGGB-SFHVURJKSA-N 2 1 338.492 3.134 20 0 EGADMP Cc1nnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000289959570 456196155 /nfs/dbraw/zinc/19/61/55/456196155.db2.gz WWAXYAIMPCLZTJ-YOEHRIQHSA-N 2 1 330.501 3.032 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000297376979 456203592 /nfs/dbraw/zinc/20/35/92/456203592.db2.gz ICMIFCDVYBOMPH-GOSISDBHSA-N 2 1 330.501 3.109 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189029595 456204680 /nfs/dbraw/zinc/20/46/80/456204680.db2.gz VZHVZVPUJZBLFX-UHFFFAOYSA-N 2 1 344.478 3.281 20 0 EGADMP C[N@H+]1CCC[C@@H](CNC(=O)CCCCCC[NH3+])[C@@H]1c1cccs1 ZINC000237079796 456229330 /nfs/dbraw/zinc/22/93/30/456229330.db2.gz VPWFWRWKRVLZGV-MAUKXSAKSA-N 2 1 337.533 3.156 20 0 EGADMP COc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc(OC)c1OC ZINC000237109330 456234553 /nfs/dbraw/zinc/23/45/53/456234553.db2.gz AXNUOCCXOVOADG-UHFFFAOYSA-N 2 1 336.476 3.065 20 0 EGADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCCCOc2ccccc2)CC1 ZINC000275663106 456279686 /nfs/dbraw/zinc/27/96/86/456279686.db2.gz DXCFHYLEEGPMFV-LJQANCHMSA-N 2 1 348.531 3.260 20 0 EGADMP CCN1CC[NH+]([C@@H](C)CNc2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302098202 456286442 /nfs/dbraw/zinc/28/64/42/456286442.db2.gz TWJOGRVMFGBWKT-HNNXBMFYSA-N 2 1 326.488 3.290 20 0 EGADMP COC1CCC([NH+](C)C/C=C\C[N@H+](C)C2CCC(OC)CC2)CC1 ZINC000340194535 456306043 /nfs/dbraw/zinc/30/60/43/456306043.db2.gz LQAZZLPOAXBWEN-WAYWQWQTSA-N 2 1 338.536 3.321 20 0 EGADMP C[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340201357 456310529 /nfs/dbraw/zinc/31/05/29/456310529.db2.gz HAKHGOIAAYTZDK-KBMXLJTQSA-N 2 1 330.394 3.379 20 0 EGADMP C[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340201357 456310533 /nfs/dbraw/zinc/31/05/33/456310533.db2.gz HAKHGOIAAYTZDK-KBMXLJTQSA-N 2 1 330.394 3.379 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000297946289 456330979 /nfs/dbraw/zinc/33/09/79/456330979.db2.gz VLXCHNMYGLPVNT-RTBURBONSA-N 2 1 345.531 3.075 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000297946289 456330983 /nfs/dbraw/zinc/33/09/83/456330983.db2.gz VLXCHNMYGLPVNT-RTBURBONSA-N 2 1 345.531 3.075 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000297946289 456330991 /nfs/dbraw/zinc/33/09/91/456330991.db2.gz VLXCHNMYGLPVNT-RTBURBONSA-N 2 1 345.531 3.075 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000297946289 456330994 /nfs/dbraw/zinc/33/09/94/456330994.db2.gz VLXCHNMYGLPVNT-RTBURBONSA-N 2 1 345.531 3.075 20 0 EGADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340244563 456338639 /nfs/dbraw/zinc/33/86/39/456338639.db2.gz KAOGFLVWWJROJG-IYWMVGAKSA-N 2 1 343.515 3.059 20 0 EGADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340244563 456338645 /nfs/dbraw/zinc/33/86/45/456338645.db2.gz KAOGFLVWWJROJG-IYWMVGAKSA-N 2 1 343.515 3.059 20 0 EGADMP Cc1nccn1CCC[N@H+](C)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000290510815 456349926 /nfs/dbraw/zinc/34/99/26/456349926.db2.gz PORNVKSQGAJZQK-UHFFFAOYSA-N 2 1 337.471 3.423 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000290510815 456349932 /nfs/dbraw/zinc/34/99/32/456349932.db2.gz PORNVKSQGAJZQK-UHFFFAOYSA-N 2 1 337.471 3.423 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000290510815 456349940 /nfs/dbraw/zinc/34/99/40/456349940.db2.gz PORNVKSQGAJZQK-UHFFFAOYSA-N 2 1 337.471 3.423 20 0 EGADMP COc1cccc2c(N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)cc(C)[nH+]c12 ZINC000302702436 456379234 /nfs/dbraw/zinc/37/92/34/456379234.db2.gz BKYZVTINCQYKQJ-NVXWUHKLSA-N 2 1 325.456 3.472 20 0 EGADMP COc1cccc2c(N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)cc(C)[nH+]c12 ZINC000302702436 456379237 /nfs/dbraw/zinc/37/92/37/456379237.db2.gz BKYZVTINCQYKQJ-NVXWUHKLSA-N 2 1 325.456 3.472 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccccc2OC)[C@H](C)C1 ZINC000276191400 456409828 /nfs/dbraw/zinc/40/98/28/456409828.db2.gz IEWVUPDBISYVOW-QUCCMNQESA-N 2 1 348.531 3.354 20 0 EGADMP CC(C)(C[NH2+]C1CC[NH+](C2CC2)CC1)N1CCc2ccccc2C1 ZINC000298291261 456416404 /nfs/dbraw/zinc/41/64/04/456416404.db2.gz HGFYOBVHTWDQOT-UHFFFAOYSA-N 2 1 327.516 3.040 20 0 EGADMP CC(C)(CNC1CC[NH+](C2CC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000298291261 456416410 /nfs/dbraw/zinc/41/64/10/456416410.db2.gz HGFYOBVHTWDQOT-UHFFFAOYSA-N 2 1 327.516 3.040 20 0 EGADMP CC(C)(CNC1CC[NH+](C2CC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000298291261 456416416 /nfs/dbraw/zinc/41/64/16/456416416.db2.gz HGFYOBVHTWDQOT-UHFFFAOYSA-N 2 1 327.516 3.040 20 0 EGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1Cl ZINC000282141719 456424934 /nfs/dbraw/zinc/42/49/34/456424934.db2.gz CCUJRHCJRFEPEO-ZDUSSCGKSA-N 2 1 327.875 3.156 20 0 EGADMP C[C@H]([NH2+]CC[S@@](=O)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347956992 456429227 /nfs/dbraw/zinc/42/92/27/456429227.db2.gz MXXBEOGWYUQEOM-HKARXFIJSA-N 2 1 334.529 3.037 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(F)cn1 ZINC000276305572 456441462 /nfs/dbraw/zinc/44/14/62/456441462.db2.gz XSYMWIPNOQZLMP-UHFFFAOYSA-N 2 1 328.435 3.354 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC000353026436 456446557 /nfs/dbraw/zinc/44/65/57/456446557.db2.gz KSQMTFRYKHTDCP-OALUTQOASA-N 2 1 340.552 3.262 20 0 EGADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000343167866 456447808 /nfs/dbraw/zinc/44/78/08/456447808.db2.gz QIRHATORUHZCGT-PMACEKPBSA-N 2 1 341.499 3.029 20 0 EGADMP Cc1cc2c(cc1C)[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)CCS2 ZINC000282338894 456481653 /nfs/dbraw/zinc/48/16/53/456481653.db2.gz OSLCNGAJFQRIPP-GOSISDBHSA-N 2 1 347.572 3.456 20 0 EGADMP CC(C)N1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1=O ZINC000340524125 456509917 /nfs/dbraw/zinc/50/99/17/456509917.db2.gz FWILLZYPIZZGPG-GPJFCIFZSA-N 2 1 343.515 3.029 20 0 EGADMP CCC[C@@](C)([NH3+])C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353204073 456556920 /nfs/dbraw/zinc/55/69/20/456556920.db2.gz LZJKURVXMMGFPT-NHCUHLMSSA-N 2 1 343.515 3.019 20 0 EGADMP O[C@]1(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000348250122 456569921 /nfs/dbraw/zinc/56/99/21/456569921.db2.gz WCRDCQZYFQOPDQ-VSKRKVRLSA-N 2 1 336.479 3.017 20 0 EGADMP O[C@]1(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000348250122 456569931 /nfs/dbraw/zinc/56/99/31/456569931.db2.gz WCRDCQZYFQOPDQ-VSKRKVRLSA-N 2 1 336.479 3.017 20 0 EGADMP CO[C@](C)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1 ZINC000291264808 456584250 /nfs/dbraw/zinc/58/42/50/456584250.db2.gz QHVGJIKLPXHLKS-HXUWFJFHSA-N 2 1 334.479 3.237 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291280557 456588771 /nfs/dbraw/zinc/58/87/71/456588771.db2.gz YROQLEMGBXHMOY-BBRMVZONSA-N 2 1 330.394 3.012 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291280557 456588777 /nfs/dbraw/zinc/58/87/77/456588777.db2.gz YROQLEMGBXHMOY-BBRMVZONSA-N 2 1 330.394 3.012 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291280557 456588782 /nfs/dbraw/zinc/58/87/82/456588782.db2.gz YROQLEMGBXHMOY-BBRMVZONSA-N 2 1 330.394 3.012 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291280557 456588789 /nfs/dbraw/zinc/58/87/89/456588789.db2.gz YROQLEMGBXHMOY-BBRMVZONSA-N 2 1 330.394 3.012 20 0 EGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000282706310 456598648 /nfs/dbraw/zinc/59/86/48/456598648.db2.gz QMKPSCWFSXLMKL-MRXNPFEDSA-N 2 1 341.503 3.238 20 0 EGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000282706310 456598653 /nfs/dbraw/zinc/59/86/53/456598653.db2.gz QMKPSCWFSXLMKL-MRXNPFEDSA-N 2 1 341.503 3.238 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282724206 456603426 /nfs/dbraw/zinc/60/34/26/456603426.db2.gz CTZZAGHOSPHSLQ-OAHLLOKOSA-N 2 1 332.517 3.312 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282724206 456603431 /nfs/dbraw/zinc/60/34/31/456603431.db2.gz CTZZAGHOSPHSLQ-OAHLLOKOSA-N 2 1 332.517 3.312 20 0 EGADMP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1cccc(Cl)c1 ZINC000321456621 456637700 /nfs/dbraw/zinc/63/77/00/456637700.db2.gz YCVQERGQHBLVIQ-DLBZAZTESA-N 2 1 335.879 3.275 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1cccc(Cl)c1 ZINC000321456621 456637706 /nfs/dbraw/zinc/63/77/06/456637706.db2.gz YCVQERGQHBLVIQ-DLBZAZTESA-N 2 1 335.879 3.275 20 0 EGADMP Cn1cc(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)s2)cn1 ZINC000282836374 456640817 /nfs/dbraw/zinc/64/08/17/456640817.db2.gz RDKVLCPRFFCKHR-INIZCTEOSA-N 2 1 344.528 3.456 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)s2)cn1 ZINC000282836374 456640821 /nfs/dbraw/zinc/64/08/21/456640821.db2.gz RDKVLCPRFFCKHR-INIZCTEOSA-N 2 1 344.528 3.456 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cnn(Cc2ccccc2)c1 ZINC000348351344 456642588 /nfs/dbraw/zinc/64/25/88/456642588.db2.gz XWEHVWLTMBYWRN-FXAWDEMLSA-N 2 1 326.488 3.456 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cnn(Cc2ccccc2)c1 ZINC000348351344 456642590 /nfs/dbraw/zinc/64/25/90/456642590.db2.gz XWEHVWLTMBYWRN-FXAWDEMLSA-N 2 1 326.488 3.456 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000277022556 456655380 /nfs/dbraw/zinc/65/53/80/456655380.db2.gz DJNOVBVWLPTITC-CQQLTZKSSA-N 2 1 348.506 3.218 20 0 EGADMP COC1(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)CCOCC1 ZINC000277034075 456660482 /nfs/dbraw/zinc/66/04/82/456660482.db2.gz OKYMWLUQBOEODK-SFHVURJKSA-N 2 1 346.515 3.346 20 0 EGADMP CCCn1cc[nH+]c1CCCN(C)[C@@H](C(=O)OC)c1ccc(F)cc1 ZINC000277059178 456667344 /nfs/dbraw/zinc/66/73/44/456667344.db2.gz CZGDWIAOJIYVBP-GOSISDBHSA-N 2 1 347.434 3.211 20 0 EGADMP C[C@H](C[NH2+]Cc1ccccc1OCc1ccncc1)C[NH+]1CCCC1 ZINC000338155518 456669482 /nfs/dbraw/zinc/66/94/82/456669482.db2.gz JKTWAWHADCCULC-GOSISDBHSA-N 2 1 339.483 3.482 20 0 EGADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2C)c2ccccc21 ZINC000282997929 456685271 /nfs/dbraw/zinc/68/52/71/456685271.db2.gz GBFIRSNQFQPODD-RBUKOAKNSA-N 2 1 341.455 3.353 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000343563977 456708279 /nfs/dbraw/zinc/70/82/79/456708279.db2.gz NGQDDASLGISRDA-HDICACEKSA-N 2 1 345.531 3.121 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000343563977 456708286 /nfs/dbraw/zinc/70/82/86/456708286.db2.gz NGQDDASLGISRDA-HDICACEKSA-N 2 1 345.531 3.121 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000343563977 456708291 /nfs/dbraw/zinc/70/82/91/456708291.db2.gz NGQDDASLGISRDA-HDICACEKSA-N 2 1 345.531 3.121 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000353505827 456722442 /nfs/dbraw/zinc/72/24/42/456722442.db2.gz YYNJNXMKDSMDSB-LAUBAEHRSA-N 2 1 343.515 3.067 20 0 EGADMP COC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000277206628 456723911 /nfs/dbraw/zinc/72/39/11/456723911.db2.gz KKDJXZRVSJZOHB-CMTQZCSUSA-N 2 1 344.499 3.218 20 0 EGADMP COC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000277206628 456723918 /nfs/dbraw/zinc/72/39/18/456723918.db2.gz KKDJXZRVSJZOHB-CMTQZCSUSA-N 2 1 344.499 3.218 20 0 EGADMP CCCC[N@@H+](CCC(=O)N1CCN(C)CC1)[C@H](C)c1ccccc1 ZINC000338236983 456724035 /nfs/dbraw/zinc/72/40/35/456724035.db2.gz WHKWGPHFNLRANR-GOSISDBHSA-N 2 1 331.504 3.014 20 0 EGADMP CCCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)c1ccccc1 ZINC000338236983 456724041 /nfs/dbraw/zinc/72/40/41/456724041.db2.gz WHKWGPHFNLRANR-GOSISDBHSA-N 2 1 331.504 3.014 20 0 EGADMP CCCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)c1ccccc1 ZINC000338236983 456724044 /nfs/dbraw/zinc/72/40/44/456724044.db2.gz WHKWGPHFNLRANR-GOSISDBHSA-N 2 1 331.504 3.014 20 0 EGADMP C[NH+](C)CCOC1CC[NH+](Cc2ccccc2OC(F)(F)F)CC1 ZINC000353522381 456733484 /nfs/dbraw/zinc/73/34/84/456733484.db2.gz UIROKDKRKISKBM-UHFFFAOYSA-N 2 1 346.393 3.128 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338272550 456742172 /nfs/dbraw/zinc/74/21/72/456742172.db2.gz BIPDBRKSGFYCAZ-HNNXBMFYSA-N 2 1 349.906 3.030 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338272550 456742181 /nfs/dbraw/zinc/74/21/81/456742181.db2.gz BIPDBRKSGFYCAZ-HNNXBMFYSA-N 2 1 349.906 3.030 20 0 EGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000343619837 456749602 /nfs/dbraw/zinc/74/96/02/456749602.db2.gz KOYKPQJZVNUPGU-UHFFFAOYSA-N 2 1 334.414 3.273 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000343619837 456749608 /nfs/dbraw/zinc/74/96/08/456749608.db2.gz KOYKPQJZVNUPGU-UHFFFAOYSA-N 2 1 334.414 3.273 20 0 EGADMP C[NH+](C)CCOC1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000353551290 456752549 /nfs/dbraw/zinc/75/25/49/456752549.db2.gz RNHJXMFJDADHMJ-UHFFFAOYSA-N 2 1 345.512 3.353 20 0 EGADMP CC(C)N(C(=O)[C@@H](C)N(C)CCC[N@@H+](C)Cc1ccco1)C(C)C ZINC000353571899 456771196 /nfs/dbraw/zinc/77/11/96/456771196.db2.gz IYVFWTRBEOQDKH-QGZVFWFLSA-N 2 1 337.508 3.067 20 0 EGADMP CC(C)N(C(=O)[C@@H](C)[N@H+](C)CCCN(C)Cc1ccco1)C(C)C ZINC000353571899 456771204 /nfs/dbraw/zinc/77/12/04/456771204.db2.gz IYVFWTRBEOQDKH-QGZVFWFLSA-N 2 1 337.508 3.067 20 0 EGADMP CC(C)N(C(=O)[C@@H](C)[N@@H+](C)CCCN(C)Cc1ccco1)C(C)C ZINC000353571899 456771209 /nfs/dbraw/zinc/77/12/09/456771209.db2.gz IYVFWTRBEOQDKH-QGZVFWFLSA-N 2 1 337.508 3.067 20 0 EGADMP COc1ccc([C@@H](O)C2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000291847075 456775448 /nfs/dbraw/zinc/77/54/48/456775448.db2.gz OWOQWZHEVIPSEA-OAQYLSRUSA-N 2 1 346.515 3.317 20 0 EGADMP COc1ccc([C@@H](O)C2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000291855080 456777724 /nfs/dbraw/zinc/77/77/24/456777724.db2.gz PEYCQFGDEWRQAH-TZIWHRDSSA-N 2 1 346.515 3.315 20 0 EGADMP COc1ccc([C@H](O)C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000291855072 456778892 /nfs/dbraw/zinc/77/88/92/456778892.db2.gz PEYCQFGDEWRQAH-FPOVZHCZSA-N 2 1 346.515 3.315 20 0 EGADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)cc2)cs1 ZINC000353586181 456784490 /nfs/dbraw/zinc/78/44/90/456784490.db2.gz WLHDQHHPIRDAOS-KRWDZBQOSA-N 2 1 345.512 3.414 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)cc2)cs1 ZINC000353586181 456784494 /nfs/dbraw/zinc/78/44/94/456784494.db2.gz WLHDQHHPIRDAOS-KRWDZBQOSA-N 2 1 345.512 3.414 20 0 EGADMP Cc1cc(NCCCC[NH+]2CCN(c3ccccc3)CC2)nc(C)[nH+]1 ZINC000301089679 456793805 /nfs/dbraw/zinc/79/38/05/456793805.db2.gz MMCFDGKHCDAKPQ-UHFFFAOYSA-N 2 1 339.487 3.108 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CO)CC(F)(F)F)CC1 ZINC000353646576 456826875 /nfs/dbraw/zinc/82/68/75/456826875.db2.gz QJYOKTRNWCGUEI-AQFXKWCLSA-N 2 1 344.421 3.333 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000292004396 456826898 /nfs/dbraw/zinc/82/68/98/456826898.db2.gz VNBYTFBASHFTCK-GOSISDBHSA-N 2 1 345.531 3.134 20 0 EGADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c2ccccc21 ZINC000338687372 456853008 /nfs/dbraw/zinc/85/30/08/456853008.db2.gz OJUGGZZCYWHQGW-OALUTQOASA-N 2 1 332.488 3.488 20 0 EGADMP C[N@@H+](CCc1cccc(NC(=O)Cc2cn3ccccc3n2)c1)C1CC1 ZINC000341521986 456873854 /nfs/dbraw/zinc/87/38/54/456873854.db2.gz FOTKSTVIRZQMLV-UHFFFAOYSA-N 2 1 348.450 3.152 20 0 EGADMP CCC[NH+](CCC)CCCNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000348828716 456873902 /nfs/dbraw/zinc/87/39/02/456873902.db2.gz SUKVVFLBNJLTMI-GOSISDBHSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](CCC)CCCNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000348828716 456873905 /nfs/dbraw/zinc/87/39/05/456873905.db2.gz SUKVVFLBNJLTMI-GOSISDBHSA-N 2 1 345.531 3.062 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000353944907 456975089 /nfs/dbraw/zinc/97/50/89/456975089.db2.gz MRHWLOBNJUOLQR-MRXNPFEDSA-N 2 1 330.451 3.366 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000353944907 456975092 /nfs/dbraw/zinc/97/50/92/456975092.db2.gz MRHWLOBNJUOLQR-MRXNPFEDSA-N 2 1 330.451 3.366 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000353971118 456984301 /nfs/dbraw/zinc/98/43/01/456984301.db2.gz IGELWSAVSVCKFM-HKUYNNGSSA-N 2 1 333.520 3.152 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000353971118 456984304 /nfs/dbraw/zinc/98/43/04/456984304.db2.gz IGELWSAVSVCKFM-HKUYNNGSSA-N 2 1 333.520 3.152 20 0 EGADMP c1cn2c(cccc2C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000356512705 457029873 /nfs/dbraw/zinc/02/98/73/457029873.db2.gz BEJDZBVHRCLXQU-UXHICEINSA-N 2 1 346.478 3.288 20 0 EGADMP c1cn2c(cccc2C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000356512705 457029879 /nfs/dbraw/zinc/02/98/79/457029879.db2.gz BEJDZBVHRCLXQU-UXHICEINSA-N 2 1 346.478 3.288 20 0 EGADMP c1cn2c(cccc2C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000356512705 457029885 /nfs/dbraw/zinc/02/98/85/457029885.db2.gz BEJDZBVHRCLXQU-UXHICEINSA-N 2 1 346.478 3.288 20 0 EGADMP c1cn2c(cccc2C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000356512705 457029891 /nfs/dbraw/zinc/02/98/91/457029891.db2.gz BEJDZBVHRCLXQU-UXHICEINSA-N 2 1 346.478 3.288 20 0 EGADMP CCn1nccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000354044060 457030284 /nfs/dbraw/zinc/03/02/84/457030284.db2.gz DXIOSASURZJSAC-UHFFFAOYSA-N 2 1 338.499 3.391 20 0 EGADMP c1nn2ccccc2c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000356529880 457039220 /nfs/dbraw/zinc/03/92/20/457039220.db2.gz QEVABOVMPCGWGO-PZJWPPBQSA-N 2 1 346.478 3.288 20 0 EGADMP c1nn2ccccc2c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000356529880 457039226 /nfs/dbraw/zinc/03/92/26/457039226.db2.gz QEVABOVMPCGWGO-PZJWPPBQSA-N 2 1 346.478 3.288 20 0 EGADMP c1nn2ccccc2c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000356529880 457039229 /nfs/dbraw/zinc/03/92/29/457039229.db2.gz QEVABOVMPCGWGO-PZJWPPBQSA-N 2 1 346.478 3.288 20 0 EGADMP c1nn2ccccc2c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000356529880 457039237 /nfs/dbraw/zinc/03/92/37/457039237.db2.gz QEVABOVMPCGWGO-PZJWPPBQSA-N 2 1 346.478 3.288 20 0 EGADMP COCc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000356535213 457041698 /nfs/dbraw/zinc/04/16/98/457041698.db2.gz WZFYFPGVQFKILX-RBUKOAKNSA-N 2 1 340.467 3.380 20 0 EGADMP COCc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000356535213 457041702 /nfs/dbraw/zinc/04/17/02/457041702.db2.gz WZFYFPGVQFKILX-RBUKOAKNSA-N 2 1 340.467 3.380 20 0 EGADMP COCc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000356535213 457041706 /nfs/dbraw/zinc/04/17/06/457041706.db2.gz WZFYFPGVQFKILX-RBUKOAKNSA-N 2 1 340.467 3.380 20 0 EGADMP COCc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000356535213 457041713 /nfs/dbraw/zinc/04/17/13/457041713.db2.gz WZFYFPGVQFKILX-RBUKOAKNSA-N 2 1 340.467 3.380 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cn1 ZINC000354081178 457048910 /nfs/dbraw/zinc/04/89/10/457048910.db2.gz ZIDFQIIJIRKXIF-BEFAXECRSA-N 2 1 335.467 3.008 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000362711398 457055185 /nfs/dbraw/zinc/05/51/85/457055185.db2.gz KQBCAXPWKRMSHG-APWZRJJASA-N 2 1 329.488 3.199 20 0 EGADMP C[C@H](C[NH2+]Cc1ccnn1-c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000354146247 457093744 /nfs/dbraw/zinc/09/37/44/457093744.db2.gz MVNKZQMABJXUJZ-MRXNPFEDSA-N 2 1 330.451 3.223 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(-c2cccs2)n1 ZINC000354175173 457110176 /nfs/dbraw/zinc/11/01/76/457110176.db2.gz FGGHKSPGHHVGET-SFHVURJKSA-N 2 1 330.501 3.066 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(-c2cccs2)n1 ZINC000354175173 457110182 /nfs/dbraw/zinc/11/01/82/457110182.db2.gz FGGHKSPGHHVGET-SFHVURJKSA-N 2 1 330.501 3.066 20 0 EGADMP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(-c2cccs2)n1 ZINC000354175173 457110187 /nfs/dbraw/zinc/11/01/87/457110187.db2.gz FGGHKSPGHHVGET-SFHVURJKSA-N 2 1 330.501 3.066 20 0 EGADMP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(-c2cccs2)n1 ZINC000354175173 457110193 /nfs/dbraw/zinc/11/01/93/457110193.db2.gz FGGHKSPGHHVGET-SFHVURJKSA-N 2 1 330.501 3.066 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342113203 457113968 /nfs/dbraw/zinc/11/39/68/457113968.db2.gz BLUXQQUYLXTHMN-HYEGPXJVSA-N 2 1 337.467 3.226 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000346692887 457114950 /nfs/dbraw/zinc/11/49/50/457114950.db2.gz JOEUTBUBWABJPZ-KXBFYZLASA-N 2 1 326.488 3.026 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC000354225750 457141644 /nfs/dbraw/zinc/14/16/44/457141644.db2.gz YLUPRWXLRNSYPL-RHSMWYFYSA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC000354225750 457141651 /nfs/dbraw/zinc/14/16/51/457141651.db2.gz YLUPRWXLRNSYPL-RHSMWYFYSA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC000354225750 457141655 /nfs/dbraw/zinc/14/16/55/457141655.db2.gz YLUPRWXLRNSYPL-RHSMWYFYSA-N 2 1 337.895 3.473 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000359932406 457154947 /nfs/dbraw/zinc/15/49/47/457154947.db2.gz GAPBTCWPVPUFOA-LVCYWYKZSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000359932406 457154953 /nfs/dbraw/zinc/15/49/53/457154953.db2.gz GAPBTCWPVPUFOA-LVCYWYKZSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000359932406 457154957 /nfs/dbraw/zinc/15/49/57/457154957.db2.gz GAPBTCWPVPUFOA-LVCYWYKZSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000359932406 457154960 /nfs/dbraw/zinc/15/49/60/457154960.db2.gz GAPBTCWPVPUFOA-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000359932406 457154965 /nfs/dbraw/zinc/15/49/65/457154965.db2.gz GAPBTCWPVPUFOA-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP Cc1nc2c(s1)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CCC2 ZINC000331403314 457179473 /nfs/dbraw/zinc/17/94/73/457179473.db2.gz MUQQIHPXLFFTDU-KGLIPLIRSA-N 2 1 336.505 3.056 20 0 EGADMP Cc1nc2c(s1)[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)CCC2 ZINC000331403314 457179480 /nfs/dbraw/zinc/17/94/80/457179480.db2.gz MUQQIHPXLFFTDU-KGLIPLIRSA-N 2 1 336.505 3.056 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000356810256 457179620 /nfs/dbraw/zinc/17/96/20/457179620.db2.gz KYRVQCDRFSBEBN-DLBZAZTESA-N 2 1 333.520 3.180 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000347042759 457199937 /nfs/dbraw/zinc/19/99/37/457199937.db2.gz MBUOKMSSJUTCHC-FUHWJXTLSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000356894406 457203802 /nfs/dbraw/zinc/20/38/02/457203802.db2.gz NOQXPUIUIQMQIO-VQIMIIECSA-N 2 1 334.467 3.455 20 0 EGADMP COC1CC[NH+](C2(C[NH2+]CCCc3ccc(C)nc3)CCCC2)CC1 ZINC000354451033 457231409 /nfs/dbraw/zinc/23/14/09/457231409.db2.gz AAHLPBCMLUBYDO-UHFFFAOYSA-N 2 1 345.531 3.336 20 0 EGADMP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000357019181 457280373 /nfs/dbraw/zinc/28/03/73/457280373.db2.gz VVTSSPURVRLOAO-OKZBNKHCSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC4(CCOCC4)[C@H]3C)sc2C1 ZINC000351582054 457305192 /nfs/dbraw/zinc/30/51/92/457305192.db2.gz PEULXPLDOMMVGI-OAHLLOKOSA-N 2 1 349.544 3.301 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC4(CCOCC4)[C@H]3C)sc2C1 ZINC000351582054 457305196 /nfs/dbraw/zinc/30/51/96/457305196.db2.gz PEULXPLDOMMVGI-OAHLLOKOSA-N 2 1 349.544 3.301 20 0 EGADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC4(CCOCC4)[C@H]3C)sc2C1 ZINC000351582054 457305202 /nfs/dbraw/zinc/30/52/02/457305202.db2.gz PEULXPLDOMMVGI-OAHLLOKOSA-N 2 1 349.544 3.301 20 0 EGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC4(CCOCC4)[C@H]3C)sc2C1 ZINC000351582054 457305204 /nfs/dbraw/zinc/30/52/04/457305204.db2.gz PEULXPLDOMMVGI-OAHLLOKOSA-N 2 1 349.544 3.301 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCC[C@@H](C)C2)CC1)CC1CC1 ZINC000357085671 457314307 /nfs/dbraw/zinc/31/43/07/457314307.db2.gz NIDLACHPWQHGRM-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000357088319 457315632 /nfs/dbraw/zinc/31/56/32/457315632.db2.gz RPWCTYWTMPZFES-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000351848115 457319680 /nfs/dbraw/zinc/31/96/80/457319680.db2.gz CAGAHSOVGDEBOO-ZKNHNOBHSA-N 2 1 339.483 3.075 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000351848115 457319688 /nfs/dbraw/zinc/31/96/88/457319688.db2.gz CAGAHSOVGDEBOO-ZKNHNOBHSA-N 2 1 339.483 3.075 20 0 EGADMP CCC[N@@H+](CCOCC[NH3+])[C@@H](C)c1ccccc1Br ZINC000357102220 457323368 /nfs/dbraw/zinc/32/33/68/457323368.db2.gz JAUWBAPWDJAQJF-ZDUSSCGKSA-N 2 1 329.282 3.197 20 0 EGADMP CC(C)[C@@H](CNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000357109157 457327884 /nfs/dbraw/zinc/32/78/84/457327884.db2.gz HLDVHDYCQCCIDC-FCGDIQPGSA-N 2 1 337.552 3.120 20 0 EGADMP Cc1ncsc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352432755 457363196 /nfs/dbraw/zinc/36/31/96/457363196.db2.gz SMKXOIVAFYDIQB-MSOLQXFVSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncsc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352432755 457363199 /nfs/dbraw/zinc/36/31/99/457363199.db2.gz SMKXOIVAFYDIQB-MSOLQXFVSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncsc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352432755 457363205 /nfs/dbraw/zinc/36/32/05/457363205.db2.gz SMKXOIVAFYDIQB-MSOLQXFVSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncsc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352432755 457363207 /nfs/dbraw/zinc/36/32/07/457363207.db2.gz SMKXOIVAFYDIQB-MSOLQXFVSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1cnc([C@H](C)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000352447235 457374164 /nfs/dbraw/zinc/37/41/64/457374164.db2.gz JNUVTPRJWSOCAD-YTQUADARSA-N 2 1 325.456 3.498 20 0 EGADMP c1ccc(COc2ccccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000363616866 457384238 /nfs/dbraw/zinc/38/42/38/457384238.db2.gz VODJOVWCTPSNJN-ICSRJNTNSA-N 2 1 337.467 3.377 20 0 EGADMP c1ccc(COc2ccccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000363616866 457384242 /nfs/dbraw/zinc/38/42/42/457384242.db2.gz VODJOVWCTPSNJN-ICSRJNTNSA-N 2 1 337.467 3.377 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347377144 457386770 /nfs/dbraw/zinc/38/67/70/457386770.db2.gz QBSNEPFETRRAEX-SJORKVTESA-N 2 1 331.485 3.082 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347377144 457386775 /nfs/dbraw/zinc/38/67/75/457386775.db2.gz QBSNEPFETRRAEX-SJORKVTESA-N 2 1 331.485 3.082 20 0 EGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000352488006 457408571 /nfs/dbraw/zinc/40/85/71/457408571.db2.gz LCSBOYCWSZICSG-LJQANCHMSA-N 2 1 325.456 3.364 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2c[nH]c3nccnc23)CC1)CC1CC1 ZINC000356122365 457466249 /nfs/dbraw/zinc/46/62/49/457466249.db2.gz GUJDZKBBMMAWPN-UHFFFAOYSA-N 2 1 341.503 3.244 20 0 EGADMP CSc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)s1 ZINC000356126927 457469413 /nfs/dbraw/zinc/46/94/13/457469413.db2.gz VKZDXIYSQXLHGF-AEGPPILISA-N 2 1 326.531 3.154 20 0 EGADMP CSc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)s1 ZINC000356126927 457469424 /nfs/dbraw/zinc/46/94/24/457469424.db2.gz VKZDXIYSQXLHGF-AEGPPILISA-N 2 1 326.531 3.154 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000395653033 457478943 /nfs/dbraw/zinc/47/89/43/457478943.db2.gz YYNPQGLTZHWTTG-BHIYHBOVSA-N 2 1 345.531 3.037 20 0 EGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1Cl ZINC000342736992 457488688 /nfs/dbraw/zinc/48/86/88/457488688.db2.gz QSCWUIJGVCIOEX-ZBFHGGJFSA-N 2 1 340.895 3.235 20 0 EGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)c2C1 ZINC000352633617 457496889 /nfs/dbraw/zinc/49/68/89/457496889.db2.gz QLVVBHXIIPOZLZ-HZPDHXFCSA-N 2 1 329.488 3.470 20 0 EGADMP CC[C@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000356172405 457504917 /nfs/dbraw/zinc/50/49/17/457504917.db2.gz NLIBWAHHEWARIP-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP CO[C@@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000425417377 457544498 /nfs/dbraw/zinc/54/44/98/457544498.db2.gz HOWDNNWAWHRZAR-FQEVSTJZSA-N 2 1 328.500 3.400 20 0 EGADMP CC(C)CCn1cccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374255019 457548150 /nfs/dbraw/zinc/54/81/50/457548150.db2.gz OSAWKWANSXSOBO-YSIASYRMSA-N 2 1 333.520 3.218 20 0 EGADMP CC(C)CCn1cccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374255019 457548158 /nfs/dbraw/zinc/54/81/58/457548158.db2.gz OSAWKWANSXSOBO-YSIASYRMSA-N 2 1 333.520 3.218 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347638063 457567174 /nfs/dbraw/zinc/56/71/74/457567174.db2.gz MLCRUDVESJFUDQ-OWCLPIDISA-N 2 1 336.549 3.042 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347638063 457567182 /nfs/dbraw/zinc/56/71/82/457567182.db2.gz MLCRUDVESJFUDQ-OWCLPIDISA-N 2 1 336.549 3.042 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)s1 ZINC000352740381 457573459 /nfs/dbraw/zinc/57/34/59/457573459.db2.gz WMALUEVYQXNOJE-NVXWUHKLSA-N 2 1 331.485 3.215 20 0 EGADMP CCO[C@H]1C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C12CCCCC2 ZINC000352751730 457581514 /nfs/dbraw/zinc/58/15/14/457581514.db2.gz WMSYZNMUVHGZIV-CVEARBPZSA-N 2 1 337.533 3.422 20 0 EGADMP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000361105686 457584232 /nfs/dbraw/zinc/58/42/32/457584232.db2.gz MNNAYHLDSYBEMV-ICSRJNTNSA-N 2 1 326.488 3.164 20 0 EGADMP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000374323071 457585316 /nfs/dbraw/zinc/58/53/16/457585316.db2.gz GYBDOBNMKYTVTF-UHFFFAOYSA-N 2 1 332.879 3.287 20 0 EGADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000374323071 457585321 /nfs/dbraw/zinc/58/53/21/457585321.db2.gz GYBDOBNMKYTVTF-UHFFFAOYSA-N 2 1 332.879 3.287 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425554762 457597562 /nfs/dbraw/zinc/59/75/62/457597562.db2.gz XJXKYIBEFCAZKL-QZTJIDSGSA-N 2 1 333.863 3.433 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425554762 457597569 /nfs/dbraw/zinc/59/75/69/457597569.db2.gz XJXKYIBEFCAZKL-QZTJIDSGSA-N 2 1 333.863 3.433 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000364450953 457609332 /nfs/dbraw/zinc/60/93/32/457609332.db2.gz UPSXPTWMUOIQJF-ZYSHUDEJSA-N 2 1 344.503 3.494 20 0 EGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000357669123 457648598 /nfs/dbraw/zinc/64/85/98/457648598.db2.gz WHECZACSKMZYHW-QGZVFWFLSA-N 2 1 348.535 3.056 20 0 EGADMP c1c(C[NH2+]Cc2ccc(-c3ccncc3)cc2)onc1C1CC[NH2+]CC1 ZINC000425901587 457649932 /nfs/dbraw/zinc/64/99/32/457649932.db2.gz QCCPDNFDJCVBMW-UHFFFAOYSA-N 2 1 348.450 3.493 20 0 EGADMP C[C@@H](C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000425945727 457657465 /nfs/dbraw/zinc/65/74/65/457657465.db2.gz SETXCPWDOQBMMR-UGKGYDQZSA-N 2 1 338.495 3.359 20 0 EGADMP C[C@@H](C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000425945727 457657468 /nfs/dbraw/zinc/65/74/68/457657468.db2.gz SETXCPWDOQBMMR-UGKGYDQZSA-N 2 1 338.495 3.359 20 0 EGADMP C[C@@H](C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000425945727 457657471 /nfs/dbraw/zinc/65/74/71/457657471.db2.gz SETXCPWDOQBMMR-UGKGYDQZSA-N 2 1 338.495 3.359 20 0 EGADMP C[C@@H](C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000425945727 457657473 /nfs/dbraw/zinc/65/74/73/457657473.db2.gz SETXCPWDOQBMMR-UGKGYDQZSA-N 2 1 338.495 3.359 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H]3CS[C@@H](C(C)C)C3)CC2)nc(C)[nH+]1 ZINC000364846486 457704483 /nfs/dbraw/zinc/70/44/83/457704483.db2.gz HWOLHOJMSZNWAQ-IAGOWNOFSA-N 2 1 334.533 3.182 20 0 EGADMP C[C@@]1(CO)CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000361432812 457729947 /nfs/dbraw/zinc/72/99/47/457729947.db2.gz VFBWGMXFSOGJLQ-OSYNSWQESA-N 2 1 328.500 3.323 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC000361455540 457736945 /nfs/dbraw/zinc/73/69/45/457736945.db2.gz DIKUFVHVXVPCFB-MISYRCLQSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC000361455540 457736950 /nfs/dbraw/zinc/73/69/50/457736950.db2.gz DIKUFVHVXVPCFB-MISYRCLQSA-N 2 1 328.500 3.446 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000358014121 457740092 /nfs/dbraw/zinc/74/00/92/457740092.db2.gz BOIQHZUYRPLZIS-OAHLLOKOSA-N 2 1 347.503 3.425 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)CC1CCCC1 ZINC000358038328 457747442 /nfs/dbraw/zinc/74/74/42/457747442.db2.gz SFMJCMYPXYXRRM-PKOBYXMFSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)c1cc(N2CCC([NH+]3CCCCC3)CC2)nc(N(C)C)[nH+]1 ZINC000443454223 457766505 /nfs/dbraw/zinc/76/65/05/457766505.db2.gz OKWYOLXESZATQL-UHFFFAOYSA-N 2 1 331.508 3.121 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000411118445 457806735 /nfs/dbraw/zinc/80/67/35/457806735.db2.gz XBDDPVHXGYWJOX-GOSISDBHSA-N 2 1 326.488 3.178 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000411118445 457806739 /nfs/dbraw/zinc/80/67/39/457806739.db2.gz XBDDPVHXGYWJOX-GOSISDBHSA-N 2 1 326.488 3.178 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000371204800 457826285 /nfs/dbraw/zinc/82/62/85/457826285.db2.gz KDZGLFAPEDIXMI-HXUWFJFHSA-N 2 1 326.488 3.178 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000371204800 457826292 /nfs/dbraw/zinc/82/62/92/457826292.db2.gz KDZGLFAPEDIXMI-HXUWFJFHSA-N 2 1 326.488 3.178 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnc3ccc(C)cc3c2)C1 ZINC000411308558 457856836 /nfs/dbraw/zinc/85/68/36/457856836.db2.gz OVGDEEJUNAXFFZ-HXUWFJFHSA-N 2 1 341.499 3.476 20 0 EGADMP c1cc(C[N@H+]2CCS[C@H]3COCC[C@H]32)ccc1C[NH+]1CCCCC1 ZINC000411323619 457857926 /nfs/dbraw/zinc/85/79/26/457857926.db2.gz LMLIWQOPPFHYRJ-UXHICEINSA-N 2 1 346.540 3.379 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CC45CCOCC5)[C@@H]3C2)cc1 ZINC000433776109 457883088 /nfs/dbraw/zinc/88/30/88/457883088.db2.gz XCBRIEGBCRLNJE-BURNTYAHSA-N 2 1 340.511 3.303 20 0 EGADMP Cc1ccc2cc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)ccc2n1 ZINC000375356395 457895080 /nfs/dbraw/zinc/89/50/80/457895080.db2.gz NJLWDBWXKLJNQO-HMXCVIKNSA-N 2 1 339.483 3.227 20 0 EGADMP CC(C)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000367030344 457921184 /nfs/dbraw/zinc/92/11/84/457921184.db2.gz QDICERZQCGGINB-RXVVDRJESA-N 2 1 329.532 3.268 20 0 EGADMP OCC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCSC1 ZINC000411664897 457943165 /nfs/dbraw/zinc/94/31/65/457943165.db2.gz JMLVBZULLJIUBJ-HXUWFJFHSA-N 2 1 348.556 3.362 20 0 EGADMP CC[C@H]1C[NH+](CCC(C)CC[N@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000411674912 457947258 /nfs/dbraw/zinc/94/72/58/457947258.db2.gz NDWXPZKDTCPPPO-PMACEKPBSA-N 2 1 340.552 3.405 20 0 EGADMP CC(C)[N@@H+](CCC[NH+]1CCCCC1)C[C@H](O)COc1ccccc1 ZINC000444811501 457983479 /nfs/dbraw/zinc/98/34/79/457983479.db2.gz IBJZMSZBLOSPRF-IBGZPJMESA-N 2 1 334.504 3.013 20 0 EGADMP Cc1ccc([C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C2CCC2)cc1 ZINC000427694825 458024095 /nfs/dbraw/zinc/02/40/95/458024095.db2.gz DVNHNZOLWFCPCI-WOJBJXKFSA-N 2 1 343.515 3.013 20 0 EGADMP Cc1cnn(C)c1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000375738537 458043995 /nfs/dbraw/zinc/04/39/95/458043995.db2.gz PCHQHCQWYRBSID-VAMGGRTRSA-N 2 1 338.499 3.119 20 0 EGADMP Cc1nccn1CCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375755713 458051013 /nfs/dbraw/zinc/05/10/13/458051013.db2.gz UDPSABOXLVILAB-NRFANRHFSA-N 3 1 338.499 3.180 20 0 EGADMP Cc1nccn1CCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375755713 458051017 /nfs/dbraw/zinc/05/10/17/458051017.db2.gz UDPSABOXLVILAB-NRFANRHFSA-N 3 1 338.499 3.180 20 0 EGADMP Cc1nccn1CCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375755713 458051027 /nfs/dbraw/zinc/05/10/27/458051027.db2.gz UDPSABOXLVILAB-NRFANRHFSA-N 3 1 338.499 3.180 20 0 EGADMP COc1cc2c(c(C[N@H+]3CCCC34CC[NH+](C)CC4)c1)O[C@H](C)C2 ZINC000368966762 458067081 /nfs/dbraw/zinc/06/70/81/458067081.db2.gz RCCZDMBRPBGOCU-OAHLLOKOSA-N 2 1 330.472 3.079 20 0 EGADMP COc1ccc(OCc2ccccn2)c(C[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000435379296 458128053 /nfs/dbraw/zinc/12/80/53/458128053.db2.gz LYTRFOWFNYYSBO-UHFFFAOYSA-N 2 1 343.471 3.086 20 0 EGADMP COc1ccc(OCc2ccccn2)c(C[N@@H+](C)CC(C)(C)C[NH3+])c1 ZINC000435379296 458128064 /nfs/dbraw/zinc/12/80/64/458128064.db2.gz LYTRFOWFNYYSBO-UHFFFAOYSA-N 2 1 343.471 3.086 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000435378303 458128273 /nfs/dbraw/zinc/12/82/73/458128273.db2.gz CUGPYMZIJMDHOV-SFHVURJKSA-N 2 1 326.440 3.055 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000435378303 458128280 /nfs/dbraw/zinc/12/82/80/458128280.db2.gz CUGPYMZIJMDHOV-SFHVURJKSA-N 2 1 326.440 3.055 20 0 EGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000435381936 458130504 /nfs/dbraw/zinc/13/05/04/458130504.db2.gz WTBUQKSZWXIRDW-OAHLLOKOSA-N 2 1 342.487 3.094 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[C@H]1[NH3+] ZINC000435381448 458130738 /nfs/dbraw/zinc/13/07/38/458130738.db2.gz TYUZEPNUCAREIP-OXQOHEQNSA-N 2 1 347.466 3.103 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC[C@H]1[NH3+] ZINC000435381448 458130743 /nfs/dbraw/zinc/13/07/43/458130743.db2.gz TYUZEPNUCAREIP-OXQOHEQNSA-N 2 1 347.466 3.103 20 0 EGADMP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC000435386539 458132911 /nfs/dbraw/zinc/13/29/11/458132911.db2.gz XEYHCFVBXFYSLJ-LJQANCHMSA-N 2 1 340.467 3.445 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC000435386539 458132912 /nfs/dbraw/zinc/13/29/12/458132912.db2.gz XEYHCFVBXFYSLJ-LJQANCHMSA-N 2 1 340.467 3.445 20 0 EGADMP COc1cc(Br)ccc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435430629 458144139 /nfs/dbraw/zinc/14/41/39/458144139.db2.gz DEBFKRIEMDLDKX-CQSZACIVSA-N 2 1 327.266 3.032 20 0 EGADMP COc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435430629 458144145 /nfs/dbraw/zinc/14/41/45/458144145.db2.gz DEBFKRIEMDLDKX-CQSZACIVSA-N 2 1 327.266 3.032 20 0 EGADMP CCn1ccnc1C[N@@H+](CC1CCCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435432573 458144740 /nfs/dbraw/zinc/14/47/40/458144740.db2.gz JGYMTJFSFFVCII-GOSISDBHSA-N 2 1 330.520 3.427 20 0 EGADMP COc1c(Br)cccc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435432067 458144980 /nfs/dbraw/zinc/14/49/80/458144980.db2.gz HIVBTYZESUTZNF-CYBMUJFWSA-N 2 1 327.266 3.032 20 0 EGADMP COc1c(Br)cccc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435432067 458144986 /nfs/dbraw/zinc/14/49/86/458144986.db2.gz HIVBTYZESUTZNF-CYBMUJFWSA-N 2 1 327.266 3.032 20 0 EGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000435882858 458217903 /nfs/dbraw/zinc/21/79/03/458217903.db2.gz HGHSBTAIALWYCV-UHFFFAOYSA-N 2 1 328.456 3.316 20 0 EGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000435882858 458217909 /nfs/dbraw/zinc/21/79/09/458217909.db2.gz HGHSBTAIALWYCV-UHFFFAOYSA-N 2 1 328.456 3.316 20 0 EGADMP COC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCCC1 ZINC000446825797 458232607 /nfs/dbraw/zinc/23/26/07/458232607.db2.gz KVDNFLVBUQUCAJ-FPOVZHCZSA-N 2 1 330.516 3.346 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000428978630 458246210 /nfs/dbraw/zinc/24/62/10/458246210.db2.gz KRULSVWMWSHQBU-QFBILLFUSA-N 2 1 331.504 3.036 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000429288933 458309403 /nfs/dbraw/zinc/30/94/03/458309403.db2.gz BCAGMLPNYQDKTN-MOPGFXCFSA-N 2 1 331.504 3.166 20 0 EGADMP Cc1cnc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1 ZINC000447583934 458315885 /nfs/dbraw/zinc/31/58/85/458315885.db2.gz DHUNZDMVXZRRKN-OWZKRDHZSA-N 2 1 336.483 3.113 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCOCC3CCCC3)CC2)C[C@H](C)O1 ZINC000459319912 458328119 /nfs/dbraw/zinc/32/81/19/458328119.db2.gz FBTFBRPMFGFBHQ-HDICACEKSA-N 2 1 338.536 3.014 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)CC2)c1 ZINC000429541242 458342331 /nfs/dbraw/zinc/34/23/31/458342331.db2.gz VOMGIWBKEJRFTL-LJQANCHMSA-N 2 1 346.515 3.408 20 0 EGADMP C[N@H+]1CCCC[C@H]1CCN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459462376 458380162 /nfs/dbraw/zinc/38/01/62/458380162.db2.gz LFCSHDYEWYLITQ-SFHVURJKSA-N 2 1 338.499 3.231 20 0 EGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C2)C1 ZINC000430148007 458410824 /nfs/dbraw/zinc/41/08/24/458410824.db2.gz KGBRIFRGHFOVOM-GOSISDBHSA-N 2 1 330.863 3.258 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C2)C1 ZINC000430148007 458410827 /nfs/dbraw/zinc/41/08/27/458410827.db2.gz KGBRIFRGHFOVOM-GOSISDBHSA-N 2 1 330.863 3.258 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C2)C1 ZINC000430148007 458410831 /nfs/dbraw/zinc/41/08/31/458410831.db2.gz KGBRIFRGHFOVOM-GOSISDBHSA-N 2 1 330.863 3.258 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C2)C1 ZINC000430148007 458410833 /nfs/dbraw/zinc/41/08/33/458410833.db2.gz KGBRIFRGHFOVOM-GOSISDBHSA-N 2 1 330.863 3.258 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423428304 458431430 /nfs/dbraw/zinc/43/14/30/458431430.db2.gz GJJVMVLDLCYYPB-GUXCAODWSA-N 2 1 337.467 3.099 20 0 EGADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000459675411 458444600 /nfs/dbraw/zinc/44/46/00/458444600.db2.gz MKAFDTRHFCNSRW-DFQSSKMNSA-N 2 1 325.456 3.373 20 0 EGADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000459675411 458444602 /nfs/dbraw/zinc/44/46/02/458444602.db2.gz MKAFDTRHFCNSRW-DFQSSKMNSA-N 2 1 325.456 3.373 20 0 EGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000423507310 458446577 /nfs/dbraw/zinc/44/65/77/458446577.db2.gz IHVWPUJSZCRWDD-BEFAXECRSA-N 2 1 342.487 3.167 20 0 EGADMP C[N@H+]1CC[C@@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000423536256 458453870 /nfs/dbraw/zinc/45/38/70/458453870.db2.gz ZEOSPZHCSFITBE-CIAFKFPVSA-N 2 1 335.495 3.167 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000430632298 458473518 /nfs/dbraw/zinc/47/35/18/458473518.db2.gz XYAFDHGBTKAOFH-XHDPSFHLSA-N 2 1 327.831 3.009 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000430632298 458473522 /nfs/dbraw/zinc/47/35/22/458473522.db2.gz XYAFDHGBTKAOFH-XHDPSFHLSA-N 2 1 327.831 3.009 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)CC3 ZINC000459786681 458478867 /nfs/dbraw/zinc/47/88/67/458478867.db2.gz PGPDYFPLLGCSQV-HZPDHXFCSA-N 2 1 341.499 3.355 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1)c1cccc2ccccc21 ZINC000430929823 458506842 /nfs/dbraw/zinc/50/68/42/458506842.db2.gz RAKLJONDQRRKJU-OLPIVMHESA-N 2 1 339.483 3.075 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)c1cccc2ccccc21 ZINC000430929823 458506843 /nfs/dbraw/zinc/50/68/43/458506843.db2.gz RAKLJONDQRRKJU-OLPIVMHESA-N 2 1 339.483 3.075 20 0 EGADMP C/C(=C\c1ccccc1)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377633602 458507365 /nfs/dbraw/zinc/50/73/65/458507365.db2.gz VRGAQWCTNRZOCC-BKBDBRRMSA-N 2 1 327.516 3.190 20 0 EGADMP CC(C)n1nccc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373497277 458511055 /nfs/dbraw/zinc/51/10/55/458511055.db2.gz SCUDTSXYMYRKSX-IEBWSBKVSA-N 2 1 326.488 3.464 20 0 EGADMP CC(C)n1nccc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373497277 458511060 /nfs/dbraw/zinc/51/10/60/458511060.db2.gz SCUDTSXYMYRKSX-IEBWSBKVSA-N 2 1 326.488 3.464 20 0 EGADMP CCC[C@](C)([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423909734 458511502 /nfs/dbraw/zinc/51/15/02/458511502.db2.gz UJPVBLYBXJLBLU-DYXWJJEUSA-N 2 1 343.515 3.017 20 0 EGADMP Cc1nc(CC[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000377768630 458518677 /nfs/dbraw/zinc/51/86/77/458518677.db2.gz RTICMFSCCQFQGB-RTBURBONSA-N 2 1 341.524 3.448 20 0 EGADMP Cc1nc(CC[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000377768630 458518678 /nfs/dbraw/zinc/51/86/78/458518678.db2.gz RTICMFSCCQFQGB-RTBURBONSA-N 2 1 341.524 3.448 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(Br)c2)[C@@H](C)C1 ZINC000468548164 458527216 /nfs/dbraw/zinc/52/72/16/458527216.db2.gz NRGYFANFRSZEDO-XJKSGUPXSA-N 2 1 325.294 3.312 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](CC)C[C@@H]1C)Cc1ccccc1 ZINC000468776284 458536036 /nfs/dbraw/zinc/53/60/36/458536036.db2.gz AYRNXYDXONLYIQ-JBACZVJFSA-N 2 1 331.548 3.259 20 0 EGADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)Cc1ccccc1 ZINC000438581449 458602956 /nfs/dbraw/zinc/60/29/56/458602956.db2.gz QUSROELOSGPRCR-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)Cc1ccccc1 ZINC000438581449 458602959 /nfs/dbraw/zinc/60/29/59/458602959.db2.gz QUSROELOSGPRCR-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)Cc1ccccc1 ZINC000438581449 458602964 /nfs/dbraw/zinc/60/29/64/458602964.db2.gz QUSROELOSGPRCR-HXUWFJFHSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000469989192 458604586 /nfs/dbraw/zinc/60/45/86/458604586.db2.gz DXWBCIDWNBNAKM-ZIAGYGMSSA-N 2 1 325.294 3.484 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000469989192 458604590 /nfs/dbraw/zinc/60/45/90/458604590.db2.gz DXWBCIDWNBNAKM-ZIAGYGMSSA-N 2 1 325.294 3.484 20 0 EGADMP OC1(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCCC1 ZINC000438598757 458604833 /nfs/dbraw/zinc/60/48/33/458604833.db2.gz AXANKCFUYVXBMA-UXHICEINSA-N 2 1 328.500 3.278 20 0 EGADMP OC1(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC1 ZINC000438598757 458604839 /nfs/dbraw/zinc/60/48/39/458604839.db2.gz AXANKCFUYVXBMA-UXHICEINSA-N 2 1 328.500 3.278 20 0 EGADMP OC1(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCCC1 ZINC000438598757 458604846 /nfs/dbraw/zinc/60/48/46/458604846.db2.gz AXANKCFUYVXBMA-UXHICEINSA-N 2 1 328.500 3.278 20 0 EGADMP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424287681 458605778 /nfs/dbraw/zinc/60/57/78/458605778.db2.gz JOQJYZLYQKDNMY-AWEZNQCLSA-N 2 1 335.879 3.051 20 0 EGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000431722483 458612875 /nfs/dbraw/zinc/61/28/75/458612875.db2.gz MFPUTOMMRLXOBG-IEBWSBKVSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431741860 458615573 /nfs/dbraw/zinc/61/55/73/458615573.db2.gz SGZZMUKZYBHCEG-AZUAARDMSA-N 2 1 345.531 3.450 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(F)cc(F)c2)C[C@@H]1C ZINC000438821461 458616626 /nfs/dbraw/zinc/61/66/26/458616626.db2.gz SCFPTOPQZUCECF-SUMWQHHRSA-N 2 1 339.430 3.098 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc(F)cc(F)c2)C[C@@H]1C ZINC000438821461 458616634 /nfs/dbraw/zinc/61/66/34/458616634.db2.gz SCFPTOPQZUCECF-SUMWQHHRSA-N 2 1 339.430 3.098 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc(F)cc(F)c2)C[C@@H]1C ZINC000438821461 458616639 /nfs/dbraw/zinc/61/66/39/458616639.db2.gz SCFPTOPQZUCECF-SUMWQHHRSA-N 2 1 339.430 3.098 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000431759698 458618496 /nfs/dbraw/zinc/61/84/96/458618496.db2.gz PQPQPKDLGUBEBL-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C3(CCCCC3)C2)CC1 ZINC000462451888 458621565 /nfs/dbraw/zinc/62/15/65/458621565.db2.gz LKWWHYGRTNQFCC-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1cnn(-c3ccc(Cl)cc3)c1)CC[NH2+]CC2 ZINC000424385687 458631361 /nfs/dbraw/zinc/63/13/61/458631361.db2.gz WIROHWYRBRSPOH-OAHLLOKOSA-N 2 1 344.890 3.490 20 0 EGADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000456355061 458643092 /nfs/dbraw/zinc/64/30/92/458643092.db2.gz PUXQXQZJZAZQTE-HXUWFJFHSA-N 2 1 343.515 3.229 20 0 EGADMP C/C(=C/c1ccccc1)C[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000494232927 458644767 /nfs/dbraw/zinc/64/47/67/458644767.db2.gz DRJAAIGAJKNGOV-JXAWBTAJSA-N 2 1 343.515 3.011 20 0 EGADMP C/C(=C/c1ccccc1)C[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000494232927 458644775 /nfs/dbraw/zinc/64/47/75/458644775.db2.gz DRJAAIGAJKNGOV-JXAWBTAJSA-N 2 1 343.515 3.011 20 0 EGADMP C[N@H+](CCc1cccc(Br)c1)CC[C@@H]1CCC[NH+]1C ZINC000463423815 458697061 /nfs/dbraw/zinc/69/70/61/458697061.db2.gz LTTKNPGWPALRPJ-INIZCTEOSA-N 2 1 325.294 3.408 20 0 EGADMP C[NH+](CCc1cccc(Br)c1)CC[C@@H]1CCC[N@@H+]1C ZINC000463423815 458697065 /nfs/dbraw/zinc/69/70/65/458697065.db2.gz LTTKNPGWPALRPJ-INIZCTEOSA-N 2 1 325.294 3.408 20 0 EGADMP C[NH+](CCc1cccc(Br)c1)CC[C@@H]1CCC[N@H+]1C ZINC000463423815 458697067 /nfs/dbraw/zinc/69/70/67/458697067.db2.gz LTTKNPGWPALRPJ-INIZCTEOSA-N 2 1 325.294 3.408 20 0 EGADMP CC(C)C[N@@H+](CCc1ccc(F)cc1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000530239540 458727919 /nfs/dbraw/zinc/72/79/19/458727919.db2.gz YSCJGIPWRWVSRA-UHFFFAOYSA-N 2 1 334.439 3.103 20 0 EGADMP OC1CC(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000432419115 458737792 /nfs/dbraw/zinc/73/77/92/458737792.db2.gz ZCYBTOMJHNLPHB-YCHQTSKFSA-N 2 1 328.500 3.038 20 0 EGADMP Cc1ccc(C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C2CC2)cc1 ZINC000432426979 458738906 /nfs/dbraw/zinc/73/89/06/458738906.db2.gz WEZFUKOANMYVFX-RXVVDRJESA-N 2 1 330.516 3.407 20 0 EGADMP Cc1ccc(C[C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C2CC2)cc1 ZINC000432426979 458738912 /nfs/dbraw/zinc/73/89/12/458738912.db2.gz WEZFUKOANMYVFX-RXVVDRJESA-N 2 1 330.516 3.407 20 0 EGADMP Cc1ccc(C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C2CC2)cc1 ZINC000432426977 458739209 /nfs/dbraw/zinc/73/92/09/458739209.db2.gz WEZFUKOANMYVFX-GHTZIAJQSA-N 2 1 330.516 3.407 20 0 EGADMP Cc1ccc(C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C2CC2)cc1 ZINC000432426977 458739213 /nfs/dbraw/zinc/73/92/13/458739213.db2.gz WEZFUKOANMYVFX-GHTZIAJQSA-N 2 1 330.516 3.407 20 0 EGADMP C[C@H]([NH2+][C@H](CO)C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547503488 458751185 /nfs/dbraw/zinc/75/11/85/458751185.db2.gz KYQBYUAZMFAOSG-IOMROCGXSA-N 2 1 330.516 3.428 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000472265562 458778742 /nfs/dbraw/zinc/77/87/42/458778742.db2.gz SIMOCRGVZKBKHT-INIZCTEOSA-N 2 1 340.895 3.152 20 0 EGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([N@@H+](C)CCCNC(=O)C2CCC2)CC1 ZINC000432800875 458789559 /nfs/dbraw/zinc/78/95/59/458789559.db2.gz RNTJHQASIDIRFY-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000440262458 458798254 /nfs/dbraw/zinc/79/82/54/458798254.db2.gz BXWILGSHYYPHRZ-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CC[C@@]2(C[C@H]1c1ccccc1)NC(=[NH2+])Nc1nc3ccccc3n12 ZINC000514823991 458801014 /nfs/dbraw/zinc/80/10/14/458801014.db2.gz ITNOIBLPFXIHDU-FXAWDEMLSA-N 2 1 346.438 3.106 20 0 EGADMP COc1cccc2c(NCCC[N@@H+]3CCCO[C@@H](C)C3)cc(C)[nH+]c12 ZINC000432870518 458803994 /nfs/dbraw/zinc/80/39/94/458803994.db2.gz GAXNLPKCQWYVCS-INIZCTEOSA-N 2 1 343.471 3.465 20 0 EGADMP COc1cccc2c(NCCC[N@H+]3CCCO[C@@H](C)C3)cc(C)[nH+]c12 ZINC000432870518 458804001 /nfs/dbraw/zinc/80/40/01/458804001.db2.gz GAXNLPKCQWYVCS-INIZCTEOSA-N 2 1 343.471 3.465 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000548064860 458831962 /nfs/dbraw/zinc/83/19/62/458831962.db2.gz JPSZQOMQPLUVFI-YLJYHZDGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCCCC1 ZINC000548064860 458831965 /nfs/dbraw/zinc/83/19/65/458831965.db2.gz JPSZQOMQPLUVFI-YLJYHZDGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CCCCC1 ZINC000548064860 458831971 /nfs/dbraw/zinc/83/19/71/458831971.db2.gz JPSZQOMQPLUVFI-YLJYHZDGSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000495514355 458871927 /nfs/dbraw/zinc/87/19/27/458871927.db2.gz YRANGGPMLICYIK-QGZVFWFLSA-N 2 1 339.524 3.099 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000457134100 458879666 /nfs/dbraw/zinc/87/96/66/458879666.db2.gz VTCONVAXFISGIQ-LJQANCHMSA-N 2 1 331.504 3.083 20 0 EGADMP OC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CC1CCCC1 ZINC000466424383 458899352 /nfs/dbraw/zinc/89/93/52/458899352.db2.gz VXJSAIFVAXWIRK-HXUWFJFHSA-N 2 1 330.516 3.429 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC=C(C(C)(C)C)CC1)c1ccccc1 ZINC000475140068 458923220 /nfs/dbraw/zinc/92/32/20/458923220.db2.gz QQYLFJZIYLDSSV-LJQANCHMSA-N 2 1 343.515 3.084 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC=C(C(C)(C)C)CC1)c1ccccc1 ZINC000475140068 458923222 /nfs/dbraw/zinc/92/32/22/458923222.db2.gz QQYLFJZIYLDSSV-LJQANCHMSA-N 2 1 343.515 3.084 20 0 EGADMP C[C@H](Cc1ccsc1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677574 458958932 /nfs/dbraw/zinc/95/89/32/458958932.db2.gz XDRHVGVRTGVJQO-WBVHZDCISA-N 2 1 349.569 3.319 20 0 EGADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000531687887 458960297 /nfs/dbraw/zinc/96/02/97/458960297.db2.gz CFRRATJBVNMDED-DEPWHIHDSA-N 2 1 329.532 3.142 20 0 EGADMP CC[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000531687887 458960304 /nfs/dbraw/zinc/96/03/04/458960304.db2.gz CFRRATJBVNMDED-DEPWHIHDSA-N 2 1 329.532 3.142 20 0 EGADMP CC[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000531687887 458960312 /nfs/dbraw/zinc/96/03/12/458960312.db2.gz CFRRATJBVNMDED-DEPWHIHDSA-N 2 1 329.532 3.142 20 0 EGADMP CC[C@H](CN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000531687887 458960316 /nfs/dbraw/zinc/96/03/16/458960316.db2.gz CFRRATJBVNMDED-DEPWHIHDSA-N 2 1 329.532 3.142 20 0 EGADMP CC[C@H](CN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000531687887 458960325 /nfs/dbraw/zinc/96/03/25/458960325.db2.gz CFRRATJBVNMDED-DEPWHIHDSA-N 2 1 329.532 3.142 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@H](C)c3cnccn3)C2)s1 ZINC000577324059 459014914 /nfs/dbraw/zinc/01/49/14/459014914.db2.gz HNBRVHAZRDMTAN-CVEARBPZSA-N 2 1 330.501 3.361 20 0 EGADMP C[C@](O)(C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000556870154 459026010 /nfs/dbraw/zinc/02/60/10/459026010.db2.gz DTVZKTBYCPHRAE-PDGJWGCVSA-N 2 1 342.527 3.428 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[C@H](C)[C@@H](C)C3)CC2)CC1 ZINC000577387983 459026464 /nfs/dbraw/zinc/02/64/64/459026464.db2.gz YZCMHJLICYCJRO-JENIJYKNSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000556909705 459030653 /nfs/dbraw/zinc/03/06/53/459030653.db2.gz IVCIEFJMHMLZAI-PBFPGSCMSA-N 2 1 326.431 3.441 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccc2ccccc2c1 ZINC000442794414 459037281 /nfs/dbraw/zinc/03/72/81/459037281.db2.gz TVGOVCAGRZIKIT-LUKYLMHMSA-N 2 1 339.483 3.075 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccc2ccccc2c1 ZINC000442794414 459037284 /nfs/dbraw/zinc/03/72/84/459037284.db2.gz TVGOVCAGRZIKIT-LUKYLMHMSA-N 2 1 339.483 3.075 20 0 EGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)CN3CC(C)(C)C3)c2C1 ZINC000567177659 459059296 /nfs/dbraw/zinc/05/92/96/459059296.db2.gz NCUHZVFDDHBOSA-UHFFFAOYSA-N 2 1 329.488 3.329 20 0 EGADMP CC(C)CCN1Cc2cccc(NC(=O)CN3CC(C)(C)C3)c2C1 ZINC000567177659 459059304 /nfs/dbraw/zinc/05/93/04/459059304.db2.gz NCUHZVFDDHBOSA-UHFFFAOYSA-N 2 1 329.488 3.329 20 0 EGADMP C[C@H](NCC(C)(C)C[NH+]1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000477915594 459066127 /nfs/dbraw/zinc/06/61/27/459066127.db2.gz LDXTWQMKFRUMMX-SFHVURJKSA-N 2 1 347.547 3.400 20 0 EGADMP Fc1ccc(COc2cccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC000577633712 459066363 /nfs/dbraw/zinc/06/63/63/459066363.db2.gz VBWWZYNTRIHYMX-RTBURBONSA-N 2 1 340.442 3.446 20 0 EGADMP Fc1ccc(COc2cccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC000577633712 459066368 /nfs/dbraw/zinc/06/63/68/459066368.db2.gz VBWWZYNTRIHYMX-RTBURBONSA-N 2 1 340.442 3.446 20 0 EGADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)C(C)(C)C ZINC000478185046 459080048 /nfs/dbraw/zinc/08/00/48/459080048.db2.gz XFSRFSXNASIDDS-AEFFLSMTSA-N 2 1 349.494 3.277 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000443062236 459080968 /nfs/dbraw/zinc/08/09/68/459080968.db2.gz TXXWANZBZDCJJU-QGZVFWFLSA-N 2 1 337.467 3.353 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](CN)c1ccc3ccccc3c1)CO2 ZINC000577740070 459086467 /nfs/dbraw/zinc/08/64/67/459086467.db2.gz AUULPKGJVZGOMF-CTNGQTDRSA-N 2 1 348.446 3.442 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC12CCOCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000558619485 459181550 /nfs/dbraw/zinc/18/15/50/459181550.db2.gz UEDHGZYBGDTDQV-YSIASYRMSA-N 2 1 328.500 3.446 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CC2)[C@@H](C)C1 ZINC000480196809 459188435 /nfs/dbraw/zinc/18/84/35/459188435.db2.gz MHNCNSJXNCNDPV-ICSRJNTNSA-N 2 1 330.516 3.445 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000590787118 459218548 /nfs/dbraw/zinc/21/85/48/459218548.db2.gz SEZUPMAQAMFZOR-OAHLLOKOSA-N 2 1 335.467 3.205 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000496537079 459232229 /nfs/dbraw/zinc/23/22/29/459232229.db2.gz CNTUCDVRRMUPCK-IAGOWNOFSA-N 2 1 341.540 3.057 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000496537079 459232232 /nfs/dbraw/zinc/23/22/32/459232232.db2.gz CNTUCDVRRMUPCK-IAGOWNOFSA-N 2 1 341.540 3.057 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000496537079 459232238 /nfs/dbraw/zinc/23/22/38/459232238.db2.gz CNTUCDVRRMUPCK-IAGOWNOFSA-N 2 1 341.540 3.057 20 0 EGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000496568362 459242861 /nfs/dbraw/zinc/24/28/61/459242861.db2.gz GVEUGIUMYPJJNJ-QBPKDAKJSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCC1CCCCC1 ZINC000522546538 459247929 /nfs/dbraw/zinc/24/79/29/459247929.db2.gz SEZRGHJGWAOXGB-DOTOQJQBSA-N 2 1 325.541 3.027 20 0 EGADMP OCCCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000560538684 459369864 /nfs/dbraw/zinc/36/98/64/459369864.db2.gz YVOKLXJAYDXINV-QHAWAJNXSA-N 2 1 330.516 3.429 20 0 EGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000569002652 459380630 /nfs/dbraw/zinc/38/06/30/459380630.db2.gz BZWTWLIPSSCJNS-RTWAWAEBSA-N 3 1 329.532 3.048 20 0 EGADMP C[C@@H](Nc1cc[nH+]c2ccccc12)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000524945212 459406702 /nfs/dbraw/zinc/40/67/02/459406702.db2.gz PMTUGVAJKWELHP-VGOFRKELSA-N 2 1 347.462 3.358 20 0 EGADMP C[C@@H](Nc1cc[nH+]c2ccccc12)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000524945212 459406709 /nfs/dbraw/zinc/40/67/09/459406709.db2.gz PMTUGVAJKWELHP-VGOFRKELSA-N 2 1 347.462 3.358 20 0 EGADMP CCOc1ccccc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000569384304 459443118 /nfs/dbraw/zinc/44/31/18/459443118.db2.gz BPKGMAQQQUUXGD-HDICACEKSA-N 2 1 346.515 3.407 20 0 EGADMP C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1c(Cl)cccc1Cl ZINC000569594585 459478122 /nfs/dbraw/zinc/47/81/22/459478122.db2.gz FKOHDRWOVPXMPS-AAEUAGOBSA-N 2 1 331.287 3.142 20 0 EGADMP C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1c(Cl)cccc1Cl ZINC000569594585 459478129 /nfs/dbraw/zinc/47/81/29/459478129.db2.gz FKOHDRWOVPXMPS-AAEUAGOBSA-N 2 1 331.287 3.142 20 0 EGADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000541904560 459509122 /nfs/dbraw/zinc/50/91/22/459509122.db2.gz ROLGYZFQQDINPX-ZHHKINOHSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CC[NH+](CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000541904560 459509125 /nfs/dbraw/zinc/50/91/25/459509125.db2.gz ROLGYZFQQDINPX-ZHHKINOHSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CC[NH+](CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000541904560 459509131 /nfs/dbraw/zinc/50/91/31/459509131.db2.gz ROLGYZFQQDINPX-ZHHKINOHSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000541904560 459509137 /nfs/dbraw/zinc/50/91/37/459509137.db2.gz ROLGYZFQQDINPX-ZHHKINOHSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000541904560 459509141 /nfs/dbraw/zinc/50/91/41/459509141.db2.gz ROLGYZFQQDINPX-ZHHKINOHSA-N 2 1 341.543 3.219 20 0 EGADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000569803321 459512459 /nfs/dbraw/zinc/51/24/59/459512459.db2.gz NCYBWFCWNQBQIG-PMACEKPBSA-N 2 1 348.531 3.287 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000526986404 459571917 /nfs/dbraw/zinc/57/19/17/459571917.db2.gz FKRFRCUQHZGBMW-LJQANCHMSA-N 2 1 346.421 3.481 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccncc3C)CC2)cs1 ZINC000583912063 459617430 /nfs/dbraw/zinc/61/74/30/459617430.db2.gz BYISMCSBCATTTP-UHFFFAOYSA-N 2 1 344.528 3.411 20 0 EGADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(C)c1 ZINC000583929796 459621243 /nfs/dbraw/zinc/62/12/43/459621243.db2.gz DDIAKRCNQMHNKO-VQTJNVASSA-N 2 1 348.531 3.001 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000527521989 459654361 /nfs/dbraw/zinc/65/43/61/459654361.db2.gz SXMCZBPOUJMDDW-WMZOPIPTSA-N 2 1 332.488 3.076 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(C4CC4)c3)C2)CC1 ZINC000573435296 459675884 /nfs/dbraw/zinc/67/58/84/459675884.db2.gz LVJMAKNFEIFFFL-NRFANRHFSA-N 2 1 327.516 3.164 20 0 EGADMP CCc1cc(OC)ccc1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000501464112 459729156 /nfs/dbraw/zinc/72/91/56/459729156.db2.gz YCPZLMZGGNTRPZ-UHFFFAOYSA-N 2 1 334.504 3.237 20 0 EGADMP CC(C)[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000584463855 459745487 /nfs/dbraw/zinc/74/54/87/459745487.db2.gz KRVSYQMNFYEORY-QFUCXCTJSA-N 2 1 329.532 3.047 20 0 EGADMP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000584463855 459745492 /nfs/dbraw/zinc/74/54/92/459745492.db2.gz KRVSYQMNFYEORY-QFUCXCTJSA-N 2 1 329.532 3.047 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)[C@H]2CC23CC3)CC1 ZINC000527845105 459757297 /nfs/dbraw/zinc/75/72/97/459757297.db2.gz CCEIWKSQRZDINX-YLJYHZDGSA-N 2 1 327.516 3.102 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527855655 459759817 /nfs/dbraw/zinc/75/98/17/459759817.db2.gz VOOBZHSQTXIHGL-QGZVFWFLSA-N 2 1 326.843 3.167 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CC[C@H]4CCCOC4)[C@H]3C2)cc1 ZINC000527925911 459773458 /nfs/dbraw/zinc/77/34/58/459773458.db2.gz KFUFAIRUGFYIBY-ANULTFPQSA-N 2 1 328.500 3.303 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002147 459791609 /nfs/dbraw/zinc/79/16/09/459791609.db2.gz ADPRCALMZXZYSV-MAUKXSAKSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002147 459791612 /nfs/dbraw/zinc/79/16/12/459791612.db2.gz ADPRCALMZXZYSV-MAUKXSAKSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002147 459791613 /nfs/dbraw/zinc/79/16/13/459791613.db2.gz ADPRCALMZXZYSV-MAUKXSAKSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002147 459791616 /nfs/dbraw/zinc/79/16/16/459791616.db2.gz ADPRCALMZXZYSV-MAUKXSAKSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002147 459791617 /nfs/dbraw/zinc/79/16/17/459791617.db2.gz ADPRCALMZXZYSV-MAUKXSAKSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002147 459791620 /nfs/dbraw/zinc/79/16/20/459791620.db2.gz ADPRCALMZXZYSV-MAUKXSAKSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@@H](NCc1n[nH]c(C2CC[NH2+]CC2)n1)c1ccc2c(c1)CCCC2 ZINC000566103846 459805554 /nfs/dbraw/zinc/80/55/54/459805554.db2.gz NOLLYUOJIRUQKV-CQSZACIVSA-N 2 1 339.487 3.001 20 0 EGADMP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc2c(c1)CCCC2 ZINC000566103846 459805557 /nfs/dbraw/zinc/80/55/57/459805557.db2.gz NOLLYUOJIRUQKV-CQSZACIVSA-N 2 1 339.487 3.001 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C(=O)OC)c(F)c2)c1 ZINC000597055414 459826570 /nfs/dbraw/zinc/82/65/70/459826570.db2.gz LDLLNERGHSZVDR-UHFFFAOYSA-N 2 1 344.430 3.354 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000566425393 459865745 /nfs/dbraw/zinc/86/57/45/459865745.db2.gz WCAPSSKRJFOVNY-UHFFFAOYSA-N 2 1 332.879 3.218 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000566425393 459865752 /nfs/dbraw/zinc/86/57/52/459865752.db2.gz WCAPSSKRJFOVNY-UHFFFAOYSA-N 2 1 332.879 3.218 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCOc1ccc(OC(F)(F)F)cc1)C2 ZINC000593729019 459965948 /nfs/dbraw/zinc/96/59/48/459965948.db2.gz CRNCFTRTJSNPII-BBRMVZONSA-N 2 1 344.377 3.025 20 0 EGADMP CSC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602550595 459993655 /nfs/dbraw/zinc/99/36/55/459993655.db2.gz JZYHNFADCYPRIK-BHIYHBOVSA-N 2 1 334.529 3.058 20 0 EGADMP CSC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602550595 459993658 /nfs/dbraw/zinc/99/36/58/459993658.db2.gz JZYHNFADCYPRIK-BHIYHBOVSA-N 2 1 334.529 3.058 20 0 EGADMP CCCc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000621718738 460024995 /nfs/dbraw/zinc/02/49/95/460024995.db2.gz RMFIAYVKTDQBJA-LPHOPBHVSA-N 2 1 335.561 3.158 20 0 EGADMP C[C@H](C[S@](C)=O)[N@@H+](C)[C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000602616591 460024994 /nfs/dbraw/zinc/02/49/94/460024994.db2.gz WDFPFEFIJOBBTK-YBBCZWHLSA-N 2 1 334.529 3.053 20 0 EGADMP C[C@H](C[S@](C)=O)N(C)[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602616591 460024999 /nfs/dbraw/zinc/02/49/99/460024999.db2.gz WDFPFEFIJOBBTK-YBBCZWHLSA-N 2 1 334.529 3.053 20 0 EGADMP C[C@H](C[S@](C)=O)N(C)[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602616591 460025003 /nfs/dbraw/zinc/02/50/03/460025003.db2.gz WDFPFEFIJOBBTK-YBBCZWHLSA-N 2 1 334.529 3.053 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]CCCCn2cc[nH+]c2C)c2ccccc21 ZINC000621753761 460049549 /nfs/dbraw/zinc/04/95/49/460049549.db2.gz VBMLRWPCGJMZPX-SFHVURJKSA-N 2 1 326.444 3.059 20 0 EGADMP CC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000576254716 460102706 /nfs/dbraw/zinc/10/27/06/460102706.db2.gz VLOKDCPBYPMRRJ-RXVVDRJESA-N 3 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000576254716 460102712 /nfs/dbraw/zinc/10/27/12/460102712.db2.gz VLOKDCPBYPMRRJ-RXVVDRJESA-N 3 1 329.532 3.361 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1C ZINC000598963768 460105046 /nfs/dbraw/zinc/10/50/46/460105046.db2.gz CSUJFKAKROCFDN-UHFFFAOYSA-N 2 1 347.503 3.305 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc(OC)c(Cl)c1 ZINC000576333002 460118237 /nfs/dbraw/zinc/11/82/37/460118237.db2.gz RUESHNLGZRTKKE-UHFFFAOYSA-N 2 1 336.867 3.415 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc(OC)c(Cl)c1 ZINC000576333002 460118243 /nfs/dbraw/zinc/11/82/43/460118243.db2.gz RUESHNLGZRTKKE-UHFFFAOYSA-N 2 1 336.867 3.415 20 0 EGADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000618665362 460118428 /nfs/dbraw/zinc/11/84/28/460118428.db2.gz ZVRIWWSEBWKPLB-ZWKOTPCHSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618665362 460118432 /nfs/dbraw/zinc/11/84/32/460118432.db2.gz ZVRIWWSEBWKPLB-ZWKOTPCHSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618665362 460118436 /nfs/dbraw/zinc/11/84/36/460118436.db2.gz ZVRIWWSEBWKPLB-ZWKOTPCHSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)(C)[C@@H]1C[NH+](CCCC[N@H+]2CCO[C@H](C(C)(C)C)C2)CCO1 ZINC000576504465 460155652 /nfs/dbraw/zinc/15/56/52/460155652.db2.gz HCHACSPHGPKDQT-ROUUACIJSA-N 2 1 340.552 3.260 20 0 EGADMP CC1(C)CCC[N@@H+](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000622558871 460276773 /nfs/dbraw/zinc/27/67/73/460276773.db2.gz ADPPPRPTTROTGR-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CC1(C)CCC[NH+](CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000622558871 460276777 /nfs/dbraw/zinc/27/67/77/460276777.db2.gz ADPPPRPTTROTGR-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CC1(C)CCC[NH+](CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000622558871 460276780 /nfs/dbraw/zinc/27/67/80/460276780.db2.gz ADPPPRPTTROTGR-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1ccc([C@H](C)C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000600120179 460391603 /nfs/dbraw/zinc/39/16/03/460391603.db2.gz JBTIYYWSLFDUPG-TZIWHRDSSA-N 2 1 329.532 3.199 20 0 EGADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634711356 460489029 /nfs/dbraw/zinc/48/90/29/460489029.db2.gz NJKUHNZLZCHCSH-SJORKVTESA-N 2 1 344.421 3.190 20 0 EGADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634711356 460489033 /nfs/dbraw/zinc/48/90/33/460489033.db2.gz NJKUHNZLZCHCSH-SJORKVTESA-N 2 1 344.421 3.190 20 0 EGADMP CCCC[C@@H](CC)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000604940842 460501458 /nfs/dbraw/zinc/50/14/58/460501458.db2.gz YXADNEBBJONRSS-MRXNPFEDSA-N 2 1 332.492 3.378 20 0 EGADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629562344 460808971 /nfs/dbraw/zinc/80/89/71/460808971.db2.gz BJFHVCGNVJCUQV-HUUCEWRRSA-N 2 1 330.394 3.141 20 0 EGADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629562344 460808979 /nfs/dbraw/zinc/80/89/79/460808979.db2.gz BJFHVCGNVJCUQV-HUUCEWRRSA-N 2 1 330.394 3.141 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCCOCCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629561981 460809494 /nfs/dbraw/zinc/80/94/94/460809494.db2.gz MBWSYYGJJBCLRQ-IAGOWNOFSA-N 2 1 344.421 3.095 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000629563385 460810561 /nfs/dbraw/zinc/81/05/61/460810561.db2.gz DXSGMGDBVDVTES-IUODEOHRSA-N 2 1 334.357 3.054 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000629563385 460810567 /nfs/dbraw/zinc/81/05/67/460810567.db2.gz DXSGMGDBVDVTES-IUODEOHRSA-N 2 1 334.357 3.054 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](CCCOc2ccc(F)cc2)CC[C@@H]1C(F)(F)F ZINC000629563387 460810998 /nfs/dbraw/zinc/81/09/98/460810998.db2.gz DXSGMGDBVDVTES-WFASDCNBSA-N 2 1 334.357 3.054 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCCOc2ccc(F)cc2)CC[C@@H]1C(F)(F)F ZINC000629563387 460811001 /nfs/dbraw/zinc/81/10/01/460811001.db2.gz DXSGMGDBVDVTES-WFASDCNBSA-N 2 1 334.357 3.054 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](CCOc2ccc(Cl)cc2)CC[C@@H]1C(F)(F)F ZINC000629562795 460811620 /nfs/dbraw/zinc/81/16/20/460811620.db2.gz CEBCTWOITMRHGM-FZMZJTMJSA-N 2 1 336.785 3.178 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2)CC[C@@H]1C(F)(F)F ZINC000629562795 460811623 /nfs/dbraw/zinc/81/16/23/460811623.db2.gz CEBCTWOITMRHGM-FZMZJTMJSA-N 2 1 336.785 3.178 20 0 EGADMP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)CC(C)(C)C ZINC000601477405 460817796 /nfs/dbraw/zinc/81/77/96/460817796.db2.gz SAMVNFGJWBDWJA-SJLPKXTDSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@H](CC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)CC(C)(C)C ZINC000601477405 460817800 /nfs/dbraw/zinc/81/78/00/460817800.db2.gz SAMVNFGJWBDWJA-SJLPKXTDSA-N 2 1 337.552 3.076 20 0 EGADMP C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000607358149 460829263 /nfs/dbraw/zinc/82/92/63/460829263.db2.gz GNOPMOFBKAAZQW-AWEZNQCLSA-N 2 1 330.394 3.358 20 0 EGADMP C[NH+](CCOc1ccc(C(F)(F)F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000607358149 460829265 /nfs/dbraw/zinc/82/92/65/460829265.db2.gz GNOPMOFBKAAZQW-AWEZNQCLSA-N 2 1 330.394 3.358 20 0 EGADMP C[NH+](CCOc1ccc(C(F)(F)F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000607358149 460829269 /nfs/dbraw/zinc/82/92/69/460829269.db2.gz GNOPMOFBKAAZQW-AWEZNQCLSA-N 2 1 330.394 3.358 20 0 EGADMP CCCc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000607366729 460832068 /nfs/dbraw/zinc/83/20/68/460832068.db2.gz RMPIXAPBKPMRSY-QFIPXVFZSA-N 2 1 338.495 3.366 20 0 EGADMP CCCc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000607366729 460832076 /nfs/dbraw/zinc/83/20/76/460832076.db2.gz RMPIXAPBKPMRSY-QFIPXVFZSA-N 2 1 338.495 3.366 20 0 EGADMP CC1(C)Cc2cc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)ccc2O1 ZINC000629655422 460848468 /nfs/dbraw/zinc/84/84/68/460848468.db2.gz KQDDDDUSNUGGBA-GJZGRUSLSA-N 2 1 342.405 3.359 20 0 EGADMP CC1(C)Cc2cc(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)ccc2O1 ZINC000629655422 460848472 /nfs/dbraw/zinc/84/84/72/460848472.db2.gz KQDDDDUSNUGGBA-GJZGRUSLSA-N 2 1 342.405 3.359 20 0 EGADMP CCCOc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629653327 460849340 /nfs/dbraw/zinc/84/93/40/460849340.db2.gz DYHQOXKVWPTVRR-ZBFHGGJFSA-N 2 1 330.394 3.435 20 0 EGADMP CCCOc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629653327 460849348 /nfs/dbraw/zinc/84/93/48/460849348.db2.gz DYHQOXKVWPTVRR-ZBFHGGJFSA-N 2 1 330.394 3.435 20 0 EGADMP COc1ccc([C@H](C)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629655887 460851097 /nfs/dbraw/zinc/85/10/97/460851097.db2.gz LPQIWJDSARCFDM-IVMMDQJWSA-N 2 1 330.394 3.258 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624120850 460869701 /nfs/dbraw/zinc/86/97/01/460869701.db2.gz IJPVOYWXEMRMOP-QZTJIDSGSA-N 3 1 333.520 3.010 20 0 EGADMP C[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624120850 460869707 /nfs/dbraw/zinc/86/97/07/460869707.db2.gz IJPVOYWXEMRMOP-QZTJIDSGSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624120850 460869713 /nfs/dbraw/zinc/86/97/13/460869713.db2.gz IJPVOYWXEMRMOP-QZTJIDSGSA-N 2 1 333.520 3.010 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624122182 460871875 /nfs/dbraw/zinc/87/18/75/460871875.db2.gz LQYQIFSYLZANLU-ZBFHGGJFSA-N 2 1 333.476 3.036 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624122182 460871881 /nfs/dbraw/zinc/87/18/81/460871881.db2.gz LQYQIFSYLZANLU-ZBFHGGJFSA-N 2 1 333.476 3.036 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000635726252 460900318 /nfs/dbraw/zinc/90/03/18/460900318.db2.gz ADAHBRWNYPMIHN-UHFFFAOYSA-N 2 1 346.519 3.166 20 0 EGADMP CC1CCN(C(=[NH2+])NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000624582367 461059391 /nfs/dbraw/zinc/05/93/91/461059391.db2.gz IUSJZELLGQDMOL-LJQANCHMSA-N 2 1 328.504 3.155 20 0 EGADMP COc1cc(C[NH+](C)C)ccc1NC(=O)c1sccc1C[NH+](C)C ZINC000633375554 461063699 /nfs/dbraw/zinc/06/36/99/461063699.db2.gz MLSSREVCFLXZAA-UHFFFAOYSA-N 2 1 347.484 3.132 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)on3)C2)C1 ZINC000652349168 461142040 /nfs/dbraw/zinc/14/20/40/461142040.db2.gz DAKAITUSFFSBJT-ZHALLVOQSA-N 2 1 341.455 3.060 20 0 EGADMP Cc1ccc(C)c(OCCC[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652346889 461142680 /nfs/dbraw/zinc/14/26/80/461142680.db2.gz LAVSAXHOOQDVSD-IRFCIJBXSA-N 2 1 346.515 3.291 20 0 EGADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349199 461143259 /nfs/dbraw/zinc/14/32/59/461143259.db2.gz FJXFCGQNJPOXMO-QKPAOTATSA-N 2 1 335.492 3.251 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C2 ZINC000652351959 461148157 /nfs/dbraw/zinc/14/81/57/461148157.db2.gz NNQXTOSDVPAZQA-HOCLYGCPSA-N 2 1 328.378 3.145 20 0 EGADMP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000652351680 461148236 /nfs/dbraw/zinc/14/82/36/461148236.db2.gz PJXJQBNOUMZHKX-DOXZYTNZSA-N 2 1 326.444 3.167 20 0 EGADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000652351680 461148240 /nfs/dbraw/zinc/14/82/40/461148240.db2.gz PJXJQBNOUMZHKX-DOXZYTNZSA-N 2 1 326.444 3.167 20 0 EGADMP COc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363464 461156789 /nfs/dbraw/zinc/15/67/89/461156789.db2.gz FMCRCAZMRHPOEI-LZLYRXPVSA-N 2 1 338.879 3.209 20 0 EGADMP CCCCc1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000652363175 461157604 /nfs/dbraw/zinc/15/76/04/461157604.db2.gz ZNFFWRVUEWBNPB-USXIJHARSA-N 2 1 337.533 3.347 20 0 EGADMP CCCCc1nc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000652363175 461157613 /nfs/dbraw/zinc/15/76/13/461157613.db2.gz ZNFFWRVUEWBNPB-USXIJHARSA-N 2 1 337.533 3.347 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)on2)cc1 ZINC000662284871 461166058 /nfs/dbraw/zinc/16/60/58/461166058.db2.gz ZTSKUMLVPCCWOB-FMKPAKJESA-N 2 1 329.444 3.155 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC000662290620 461167514 /nfs/dbraw/zinc/16/75/14/461167514.db2.gz GLPWPVQYBWSOOD-RDJZCZTQSA-N 2 1 347.478 3.173 20 0 EGADMP Cc1cncc(CC[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000649552036 461171270 /nfs/dbraw/zinc/17/12/70/461171270.db2.gz UXIMMDZSISIIDQ-SFHVURJKSA-N 2 1 330.520 3.304 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)[C@H]2CCc3cc(OC)c(OC)cc32)[C@H](C)C1 ZINC000638114401 461250030 /nfs/dbraw/zinc/25/00/30/461250030.db2.gz IVGBSDGJVSMACG-JLSDUUJJSA-N 2 1 332.488 3.353 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)[C@H]2CCc3cc(OC)c(OC)cc32)[C@H](C)C1 ZINC000638114401 461250035 /nfs/dbraw/zinc/25/00/35/461250035.db2.gz IVGBSDGJVSMACG-JLSDUUJJSA-N 2 1 332.488 3.353 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)[C@H]2CCc3cc(OC)c(OC)cc32)[C@H](C)C1 ZINC000638114401 461250044 /nfs/dbraw/zinc/25/00/44/461250044.db2.gz IVGBSDGJVSMACG-JLSDUUJJSA-N 2 1 332.488 3.353 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)[C@H]2CCc3cc(OC)c(OC)cc32)[C@H](C)C1 ZINC000638114401 461250048 /nfs/dbraw/zinc/25/00/48/461250048.db2.gz IVGBSDGJVSMACG-JLSDUUJJSA-N 2 1 332.488 3.353 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000638178102 461291119 /nfs/dbraw/zinc/29/11/19/461291119.db2.gz FMOLIXQZIMUFGN-SSSFQFABSA-N 2 1 328.500 3.364 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000662669470 461341985 /nfs/dbraw/zinc/34/19/85/461341985.db2.gz ZQABAGLUXHOUDM-IEBWSBKVSA-N 2 1 343.515 3.236 20 0 EGADMP Cc1[nH]c2ccccc2c1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655708485 461378435 /nfs/dbraw/zinc/37/84/35/461378435.db2.gz QOKQRVBAEZFSMS-GOSISDBHSA-N 2 1 341.499 3.252 20 0 EGADMP CC1(C)[C@H]([NH2+]CC(=O)N2c3ccccc3CCc3ccccc32)C[C@@H]1[NH3+] ZINC000641801719 461380923 /nfs/dbraw/zinc/38/09/23/461380923.db2.gz FLBPYGOZFCEXPW-VQTJNVASSA-N 2 1 349.478 3.165 20 0 EGADMP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655724964 461393277 /nfs/dbraw/zinc/39/32/77/461393277.db2.gz MGNFWYQGKIDSGA-YTQUADARSA-N 2 1 338.536 3.061 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000668717324 461396500 /nfs/dbraw/zinc/39/65/00/461396500.db2.gz UTAKTJKYKAILPB-OAQYLSRUSA-N 2 1 340.467 3.280 20 0 EGADMP CC[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Oc1ccccc1C ZINC000655730798 461399008 /nfs/dbraw/zinc/39/90/08/461399008.db2.gz NEVZTLYHQCDFST-PMACEKPBSA-N 2 1 346.515 3.385 20 0 EGADMP CC(C)(C)Oc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655742736 461409261 /nfs/dbraw/zinc/40/92/61/461409261.db2.gz WYHDGGDUIPTWKO-SFHVURJKSA-N 2 1 332.488 3.207 20 0 EGADMP CCO[C@@H]1CCC[NH+](CC[C@@H](C)CC[N@@H+]2CCC[C@H](OCC)C2)C1 ZINC000662943468 461415181 /nfs/dbraw/zinc/41/51/81/461415181.db2.gz OTOPJSSIQQJNMH-OWZKRDHZSA-N 2 1 340.552 3.405 20 0 EGADMP CCO[C@@H]1CCC[N@@H+](CC[C@@H](C)CC[NH+]2CCC[C@H](OCC)C2)C1 ZINC000662943468 461415188 /nfs/dbraw/zinc/41/51/88/461415188.db2.gz OTOPJSSIQQJNMH-OWZKRDHZSA-N 2 1 340.552 3.405 20 0 EGADMP CCO[C@@H]1CCC[N@H+](CC[C@@H](C)CC[NH+]2CCC[C@H](OCC)C2)C1 ZINC000662943468 461415192 /nfs/dbraw/zinc/41/51/92/461415192.db2.gz OTOPJSSIQQJNMH-OWZKRDHZSA-N 2 1 340.552 3.405 20 0 EGADMP FC(F)(F)[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655755698 461422197 /nfs/dbraw/zinc/42/21/97/461422197.db2.gz IPWKMEZYNKNTLE-DLBZAZTESA-N 2 1 342.405 3.175 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000638448463 461433610 /nfs/dbraw/zinc/43/36/10/461433610.db2.gz RWXCCGNBLNCUAU-IAGOWNOFSA-N 2 1 337.467 3.053 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000638448463 461433617 /nfs/dbraw/zinc/43/36/17/461433617.db2.gz RWXCCGNBLNCUAU-IAGOWNOFSA-N 2 1 337.467 3.053 20 0 EGADMP Fc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000655770763 461435163 /nfs/dbraw/zinc/43/51/63/461435163.db2.gz OVCBDCROSMRSCP-NSISKUIASA-N 2 1 332.463 3.305 20 0 EGADMP CC(C)c1ccc(O[C@@H](C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655769315 461436130 /nfs/dbraw/zinc/43/61/30/461436130.db2.gz XQXYPMCBOIOMHT-PXNSSMCTSA-N 2 1 346.515 3.420 20 0 EGADMP CC[N@@H+](CCN[C@@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000638479452 461447383 /nfs/dbraw/zinc/44/73/83/461447383.db2.gz MYWWEFKMCCMYJZ-NQIIRXRSSA-N 2 1 327.516 3.428 20 0 EGADMP CC[NH+](CCN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000638479452 461447401 /nfs/dbraw/zinc/44/74/01/461447401.db2.gz MYWWEFKMCCMYJZ-NQIIRXRSSA-N 2 1 327.516 3.428 20 0 EGADMP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655789939 461450111 /nfs/dbraw/zinc/45/01/11/461450111.db2.gz BTIWFZNSCAXVRO-OAGGEKHMSA-N 2 1 334.426 3.341 20 0 EGADMP C[C@H](N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccn(C)n1 ZINC000666127161 461462784 /nfs/dbraw/zinc/46/27/84/461462784.db2.gz HWEKWMCTCRIQLD-HKJQZYRSSA-N 2 1 338.499 3.371 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccn(C)n1 ZINC000666127161 461462792 /nfs/dbraw/zinc/46/27/92/461462792.db2.gz HWEKWMCTCRIQLD-HKJQZYRSSA-N 2 1 338.499 3.371 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccn(C)n1 ZINC000666127161 461462797 /nfs/dbraw/zinc/46/27/97/461462797.db2.gz HWEKWMCTCRIQLD-HKJQZYRSSA-N 2 1 338.499 3.371 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000638564635 461487746 /nfs/dbraw/zinc/48/77/46/461487746.db2.gz LXUKHSVBVPGUMI-NHCUHLMSSA-N 2 1 329.532 3.043 20 0 EGADMP COCCc1ncc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000631042628 461495520 /nfs/dbraw/zinc/49/55/20/461495520.db2.gz KHDKKJCUOXDLPV-IYBDPMFKSA-N 2 1 339.549 3.180 20 0 EGADMP CC(C)(C)C(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000659957846 461515255 /nfs/dbraw/zinc/51/52/55/461515255.db2.gz YIYOYQBEUAOMRJ-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(F)c2ccccc12 ZINC000631067995 461519129 /nfs/dbraw/zinc/51/91/29/461519129.db2.gz JKDWSCFOYGTGMC-KRWDZBQOSA-N 2 1 330.447 3.305 20 0 EGADMP Fc1cccc(C[N@H+]2CCC[C@@H](c3nc([C@H]4CCC[NH2+]4)no3)C2)c1 ZINC000647151796 461527104 /nfs/dbraw/zinc/52/71/04/461527104.db2.gz PLICPGSXWPLXSS-GDBMZVCRSA-N 2 1 330.407 3.013 20 0 EGADMP COCCc1ncc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)s1 ZINC000631114520 461564263 /nfs/dbraw/zinc/56/42/63/461564263.db2.gz DTSMVAVMXUJIKI-UHFFFAOYSA-N 2 1 339.549 3.466 20 0 EGADMP Cc1cc(C)c(/C=C\C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1C ZINC000631176563 461616158 /nfs/dbraw/zinc/61/61/58/461616158.db2.gz AXEGUWLQTJTSGH-NYPGBQQYSA-N 2 1 328.500 3.468 20 0 EGADMP CO[C@H](C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)C1CCOCC1 ZINC000638853518 461618197 /nfs/dbraw/zinc/61/81/97/461618197.db2.gz ICTDMXCCUCFVJG-HXUWFJFHSA-N 2 1 334.504 3.058 20 0 EGADMP CC(C)n1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631195792 461637129 /nfs/dbraw/zinc/63/71/29/461637129.db2.gz JZLHLRCDHAWXEY-YLJYHZDGSA-N 2 1 326.488 3.322 20 0 EGADMP CC(C)n1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631195792 461637138 /nfs/dbraw/zinc/63/71/38/461637138.db2.gz JZLHLRCDHAWXEY-YLJYHZDGSA-N 2 1 326.488 3.322 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(-n2ccnn2)c1 ZINC000663466576 461655690 /nfs/dbraw/zinc/65/56/90/461655690.db2.gz VSTYLAKNMHTBGU-SJLPKXTDSA-N 2 1 339.487 3.040 20 0 EGADMP c1cc(COc2ccc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)cc2)ccn1 ZINC000647483062 461730824 /nfs/dbraw/zinc/73/08/24/461730824.db2.gz WDTOLSHMRZTSSE-UHFFFAOYSA-N 2 1 337.467 3.377 20 0 EGADMP CC[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)CC[C@H]1[NH3+] ZINC000647498719 461736808 /nfs/dbraw/zinc/73/68/08/461736808.db2.gz OBXDYWWEDNSKGR-VQIMIIECSA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)CC[C@H]1[NH3+] ZINC000647498719 461736812 /nfs/dbraw/zinc/73/68/12/461736812.db2.gz OBXDYWWEDNSKGR-VQIMIIECSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@H](Nc1[nH+]ccc2[nH]ccc21)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000663654241 461737006 /nfs/dbraw/zinc/73/70/06/461737006.db2.gz FQAPPOZLOCKSKM-HNAYVOBHSA-N 2 1 336.439 3.264 20 0 EGADMP C[C@H](Nc1[nH+]ccc2[nH]ccc21)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000663654241 461737013 /nfs/dbraw/zinc/73/70/13/461737013.db2.gz FQAPPOZLOCKSKM-HNAYVOBHSA-N 2 1 336.439 3.264 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647530738 461749004 /nfs/dbraw/zinc/74/90/04/461749004.db2.gz CKFIDKNOCZLCIG-UHFFFAOYSA-N 2 1 334.414 3.081 20 0 EGADMP c1cc(CCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647542741 461754729 /nfs/dbraw/zinc/75/47/29/461754729.db2.gz BHUBUWZHXWDSFW-PMACEKPBSA-N 2 1 328.500 3.266 20 0 EGADMP C[C@@H]1C[C@@H](N[C@@H]2COc3cc(F)c(Br)cc32)CC[N@H+]1C ZINC000639140432 461756380 /nfs/dbraw/zinc/75/63/80/461756380.db2.gz XNIMISHIYRJKQP-ISTVAULSSA-N 2 1 343.240 3.094 20 0 EGADMP Brc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543041 461757146 /nfs/dbraw/zinc/75/71/46/461757146.db2.gz GXDFBRALKSRJME-KBPBESRZSA-N 2 1 338.293 3.056 20 0 EGADMP COc1cc2c(c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c1)O[C@@H](C)C2 ZINC000647543677 461759651 /nfs/dbraw/zinc/75/96/51/461759651.db2.gz RBFBKBCUGMWSQA-BBWFWOEESA-N 2 1 344.499 3.230 20 0 EGADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccc(OC)cc1 ZINC000669688872 461766791 /nfs/dbraw/zinc/76/67/91/461766791.db2.gz SVYPGVQYNXOFJM-UHFFFAOYSA-N 2 1 347.547 3.323 20 0 EGADMP CN1CCC([N@@H+](Cc2ccco2)Cc2ccc3nccnc3c2)CC1 ZINC000639178312 461785264 /nfs/dbraw/zinc/78/52/64/461785264.db2.gz ICUOVRLLIHCYFM-UHFFFAOYSA-N 2 1 336.439 3.319 20 0 EGADMP Cc1cc(CO)cc(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663778805 461802148 /nfs/dbraw/zinc/80/21/48/461802148.db2.gz IBJFZVHEKYOVDI-LPHOPBHVSA-N 2 1 325.456 3.205 20 0 EGADMP Cc1cc(CO)cc(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663778805 461802157 /nfs/dbraw/zinc/80/21/57/461802157.db2.gz IBJFZVHEKYOVDI-LPHOPBHVSA-N 2 1 325.456 3.205 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000643894846 461832559 /nfs/dbraw/zinc/83/25/59/461832559.db2.gz UMKLKGKQGWKGSY-JKWVGCSGSA-N 2 1 326.484 3.009 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000643894846 461832569 /nfs/dbraw/zinc/83/25/69/461832569.db2.gz UMKLKGKQGWKGSY-JKWVGCSGSA-N 2 1 326.484 3.009 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C3[N@@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000643894846 461832573 /nfs/dbraw/zinc/83/25/73/461832573.db2.gz UMKLKGKQGWKGSY-JKWVGCSGSA-N 2 1 326.484 3.009 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C3[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000643894846 461832579 /nfs/dbraw/zinc/83/25/79/461832579.db2.gz UMKLKGKQGWKGSY-JKWVGCSGSA-N 2 1 326.484 3.009 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)C1 ZINC000647788981 461835525 /nfs/dbraw/zinc/83/55/25/461835525.db2.gz WIAGPFYFIIKBSB-XYEHWOGUSA-N 3 1 341.543 3.396 20 0 EGADMP CCn1nc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c2ccccc21 ZINC000656782777 461892763 /nfs/dbraw/zinc/89/27/63/461892763.db2.gz JQGRFWQKJYHAMR-KRWDZBQOSA-N 2 1 326.488 3.268 20 0 EGADMP c1sc(-c2ccccn2)nc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784380 461893790 /nfs/dbraw/zinc/89/37/90/461893790.db2.gz CVPZAUSUIRCPGO-MRXNPFEDSA-N 2 1 342.512 3.417 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000650705815 461897593 /nfs/dbraw/zinc/89/75/93/461897593.db2.gz XCUORRBQIUHDEW-ZMSDIMECSA-N 2 1 342.405 3.424 20 0 EGADMP CC(C)(C)c1cnc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650708191 461902199 /nfs/dbraw/zinc/90/21/99/461902199.db2.gz VBBHOGWDDTWZGT-SOUVJXGZSA-N 2 1 337.533 3.159 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(OC(F)F)cc2)C1 ZINC000650721865 461913194 /nfs/dbraw/zinc/91/31/94/461913194.db2.gz DLWAXDSPOALXDJ-PVAVHDDUSA-N 2 1 340.414 3.149 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722640 461914694 /nfs/dbraw/zinc/91/46/94/461914694.db2.gz YMIQPWOUKMKZRJ-SXLOBPIMSA-N 2 1 332.488 3.336 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000647972032 461914951 /nfs/dbraw/zinc/91/49/51/461914951.db2.gz GWOWTKTZVZDOSQ-INIZCTEOSA-N 2 1 346.437 3.317 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000650724111 461915919 /nfs/dbraw/zinc/91/59/19/461915919.db2.gz YIXCEFZZZHAOFK-KBRIMQKVSA-N 2 1 326.843 3.340 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000650724113 461916583 /nfs/dbraw/zinc/91/65/83/461916583.db2.gz YIXCEFZZZHAOFK-XYPHTWIQSA-N 2 1 326.843 3.340 20 0 EGADMP COc1ccc2oc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)cc2c1 ZINC000650723879 461916734 /nfs/dbraw/zinc/91/67/34/461916734.db2.gz VHYQIZIWZCWITN-XFQXTVEOSA-N 2 1 344.455 3.302 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(OC(F)F)c2)C1 ZINC000650723854 461916747 /nfs/dbraw/zinc/91/67/47/461916747.db2.gz VAYBZSGZAVZMEW-HYVNUMGLSA-N 2 1 340.414 3.149 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC000647978895 461920495 /nfs/dbraw/zinc/92/04/95/461920495.db2.gz ZXQYTKKWVCQMKC-OTWHNJEPSA-N 2 1 343.515 3.342 20 0 EGADMP FC(F)(F)c1csc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647977798 461920722 /nfs/dbraw/zinc/92/07/22/461920722.db2.gz HRPWZNJDEPVJFI-NWDGAFQWSA-N 2 1 333.423 3.374 20 0 EGADMP FC(F)(F)c1csc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647977798 461920724 /nfs/dbraw/zinc/92/07/24/461920724.db2.gz HRPWZNJDEPVJFI-NWDGAFQWSA-N 2 1 333.423 3.374 20 0 EGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2nc3ccc(F)cc3s2)CC1 ZINC000667042251 461925221 /nfs/dbraw/zinc/92/52/21/461925221.db2.gz HUNMLMNNMMIHCV-RDTXWAMCSA-N 2 1 349.475 3.154 20 0 EGADMP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000660693010 461927571 /nfs/dbraw/zinc/92/75/71/461927571.db2.gz URZVNVOUUSGKMR-UHFFFAOYSA-N 2 1 326.484 3.412 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCO[C@H](c4ccncc4)C3)CC[NH2+]2)cc1 ZINC000650751807 461933978 /nfs/dbraw/zinc/93/39/78/461933978.db2.gz BQQSNESDYKTKSQ-CGXNFDGLSA-N 2 1 337.467 3.385 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CNc3ccnn3C2)CC1)CC(C)C ZINC000648035796 461952603 /nfs/dbraw/zinc/95/26/03/461952603.db2.gz PPALBYNQRZZNEA-LJQANCHMSA-N 2 1 347.551 3.005 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@H+]([C@H]1CC[C@@](C)(c3ccccc3)C1)CCO2 ZINC000648072089 461970072 /nfs/dbraw/zinc/97/00/72/461970072.db2.gz KWGRMEUBERXBMV-VQTJNVASSA-N 2 1 328.500 3.293 20 0 EGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644543859 461977900 /nfs/dbraw/zinc/97/79/00/461977900.db2.gz CWGYFODJNRIXKG-SFTDATJTSA-N 2 1 326.484 3.090 20 0 EGADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644543859 461977904 /nfs/dbraw/zinc/97/79/04/461977904.db2.gz CWGYFODJNRIXKG-SFTDATJTSA-N 2 1 326.484 3.090 20 0 EGADMP CSc1ccc(CC[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000644638258 462018185 /nfs/dbraw/zinc/01/81/85/462018185.db2.gz PXHYSLQYTWANBA-IBGZPJMESA-N 2 1 344.524 3.034 20 0 EGADMP CSc1ccc(CC[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000644638258 462018188 /nfs/dbraw/zinc/01/81/88/462018188.db2.gz PXHYSLQYTWANBA-IBGZPJMESA-N 2 1 344.524 3.034 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000644655978 462025307 /nfs/dbraw/zinc/02/53/07/462025307.db2.gz CJMXEGVLNHDQHB-SFTDATJTSA-N 2 1 338.495 3.189 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000644655978 462025309 /nfs/dbraw/zinc/02/53/09/462025309.db2.gz CJMXEGVLNHDQHB-SFTDATJTSA-N 2 1 338.495 3.189 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657310350 462034515 /nfs/dbraw/zinc/03/45/15/462034515.db2.gz CCJFZPBFOYJOOL-RXVVDRJESA-N 2 1 346.515 3.456 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3nccn3C(C)C)CC2)oc1C ZINC000657371343 462077393 /nfs/dbraw/zinc/07/73/93/462077393.db2.gz QIZNDTCAYQCUMV-UHFFFAOYSA-N 2 1 345.491 3.071 20 0 EGADMP CCc1cccc2cc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@H]4O)CC3)oc21 ZINC000657401776 462100172 /nfs/dbraw/zinc/10/01/72/462100172.db2.gz XPRPSXSOKGLPDN-VQTJNVASSA-N 2 1 342.483 3.463 20 0 EGADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cnc3n2CCC3)C[N@H+]1Cc1ccccc1 ZINC000657414570 462107736 /nfs/dbraw/zinc/10/77/36/462107736.db2.gz BSUWQIZXWVSUQN-PKOBYXMFSA-N 2 1 338.499 3.220 20 0 EGADMP Cc1noc([C@H](C)[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000645007369 462157880 /nfs/dbraw/zinc/15/78/80/462157880.db2.gz NXYOGSRNLPAADP-INIZCTEOSA-N 2 1 340.471 3.427 20 0 EGADMP Cc1noc([C@H](C)[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000645007369 462157883 /nfs/dbraw/zinc/15/78/83/462157883.db2.gz NXYOGSRNLPAADP-INIZCTEOSA-N 2 1 340.471 3.427 20 0 EGADMP Cc1noc([C@@H](C)[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000645007370 462158043 /nfs/dbraw/zinc/15/80/43/462158043.db2.gz NXYOGSRNLPAADP-MRXNPFEDSA-N 2 1 340.471 3.427 20 0 EGADMP Cc1noc([C@@H](C)[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000645007370 462158050 /nfs/dbraw/zinc/15/80/50/462158050.db2.gz NXYOGSRNLPAADP-MRXNPFEDSA-N 2 1 340.471 3.427 20 0 EGADMP CC1([NH+]2CCCC2)CC[NH+](CCC(=O)NCC2CCCCC2)CC1 ZINC000639982947 462203538 /nfs/dbraw/zinc/20/35/38/462203538.db2.gz YQLQJWBIJJDYFE-UHFFFAOYSA-N 2 1 335.536 3.023 20 0 EGADMP CCC[C@H]1CN(Cc2cnc3n2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000667758354 462248747 /nfs/dbraw/zinc/24/87/47/462248747.db2.gz BPQZVHGDIIXXQP-IBGZPJMESA-N 2 1 338.499 3.316 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1)c1c[nH+]ccc1N ZINC000665233633 462361047 /nfs/dbraw/zinc/36/10/47/462361047.db2.gz MDWNRSZTNFGFDR-KBPBESRZSA-N 2 1 330.863 3.325 20 0 EGADMP Fc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC000665266434 462377219 /nfs/dbraw/zinc/37/72/19/462377219.db2.gz AZDZQLWIONAFDU-IPMKNSEASA-N 2 1 326.415 3.212 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(O)(CC)CC)[C@@H](C)C1 ZINC000658106692 462388025 /nfs/dbraw/zinc/38/80/25/462388025.db2.gz AUEVSLRDAJZNHD-ROUUACIJSA-N 2 1 342.568 3.290 20 0 EGADMP COc1ccccc1-c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)on1 ZINC000665299937 462391647 /nfs/dbraw/zinc/39/16/47/462391647.db2.gz VNULKGMFKGJHTB-BPQIPLTHSA-N 2 1 341.455 3.361 20 0 EGADMP C[C@H](C(=O)NCc1ccccc1F)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532032 462430535 /nfs/dbraw/zinc/43/05/35/462430535.db2.gz TWGPQEAHHQIRTQ-QGZVFWFLSA-N 2 1 349.494 3.028 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652138527 462446376 /nfs/dbraw/zinc/44/63/76/462446376.db2.gz HNYYMHDABGFJAG-YOEHRIQHSA-N 2 1 348.487 3.237 20 0 EGADMP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294815 462461428 /nfs/dbraw/zinc/46/14/28/462461428.db2.gz JUTMOLJDHUDHTN-OXJNMPFZSA-N 2 1 339.483 3.388 20 0 EGADMP COc1cccc([C@H]2CCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000191380901 533789241 /nfs/dbraw/zinc/78/92/41/533789241.db2.gz KOIQZKMCORRVMS-OAQYLSRUSA-N 2 1 345.531 3.248 20 0 EGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000178625484 534843934 /nfs/dbraw/zinc/84/39/34/534843934.db2.gz RTARORLOPYEUSV-GFCCVEGCSA-N 2 1 327.407 3.213 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC)c(OC(F)F)c2)[C@H](C)C1 ZINC000153703492 527880906 /nfs/dbraw/zinc/88/09/06/527880906.db2.gz IHHZIVGMRXUTIC-HIFRSBDPSA-N 2 1 342.430 3.159 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000153726855 528033641 /nfs/dbraw/zinc/03/36/41/528033641.db2.gz ILXMGWJXQDMNPC-CQSZACIVSA-N 2 1 346.450 3.056 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000187119075 528195894 /nfs/dbraw/zinc/19/58/94/528195894.db2.gz BLXJVJMHGHFQJQ-KRWDZBQOSA-N 2 1 328.859 3.319 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000187119075 528195901 /nfs/dbraw/zinc/19/59/01/528195901.db2.gz BLXJVJMHGHFQJQ-KRWDZBQOSA-N 2 1 328.859 3.319 20 0 EGADMP CCCc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000187357318 528635433 /nfs/dbraw/zinc/63/54/33/528635433.db2.gz RKJRNPICNUGDOT-QFIPXVFZSA-N 2 1 338.495 3.496 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(C)cc1C ZINC000191474056 528862431 /nfs/dbraw/zinc/86/24/31/528862431.db2.gz SIZNYIDPMATTRC-UHFFFAOYSA-N 2 1 342.487 3.413 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(C)cc1C ZINC000191474056 528862434 /nfs/dbraw/zinc/86/24/34/528862434.db2.gz SIZNYIDPMATTRC-UHFFFAOYSA-N 2 1 342.487 3.413 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000181944631 529143521 /nfs/dbraw/zinc/14/35/21/529143521.db2.gz SPEXLHSYMHCGHF-LJQANCHMSA-N 2 1 349.494 3.047 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ncc(C(C)C)s2)C1 ZINC000346196901 535551075 /nfs/dbraw/zinc/55/10/75/535551075.db2.gz DCNHMANQUARYAP-HNNXBMFYSA-N 2 1 325.522 3.199 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncc(C(C)C)s2)C1 ZINC000346196901 535551077 /nfs/dbraw/zinc/55/10/77/535551077.db2.gz DCNHMANQUARYAP-HNNXBMFYSA-N 2 1 325.522 3.199 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000246959838 535768332 /nfs/dbraw/zinc/76/83/32/535768332.db2.gz IOIZYPXEJMNHHY-JXFKEZNVSA-N 2 1 333.495 3.110 20 0 EGADMP C[N@@H+](CCc1nccs1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000093844130 546688007 /nfs/dbraw/zinc/68/80/07/546688007.db2.gz AEWPHENPXJBRFJ-UHFFFAOYSA-N 2 1 345.512 3.292 20 0 EGADMP Cc1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)cc1 ZINC000166398594 546988343 /nfs/dbraw/zinc/98/83/43/546988343.db2.gz JABLVGHPNQXDAB-NJYVYQBISA-N 2 1 327.516 3.348 20 0 EGADMP CCc1cc(NC[C@@H](c2ccc(OC)c(OC)c2)[NH+](C)C)nc(C)[nH+]1 ZINC000180421797 547055634 /nfs/dbraw/zinc/05/56/34/547055634.db2.gz YMTFFOZZNACGFB-INIZCTEOSA-N 2 1 344.459 3.079 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)CC2 ZINC000280113146 547370019 /nfs/dbraw/zinc/37/00/19/547370019.db2.gz NSOQJXPXBKTCSI-MAUKXSAKSA-N 2 1 332.488 3.401 20 0 EGADMP c1csc(C[NH+]2CCC[C@H](CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000339068280 547568839 /nfs/dbraw/zinc/56/88/39/547568839.db2.gz CWRWGCPATRGMIF-KURKYZTESA-N 2 1 333.545 3.177 20 0 EGADMP c1csc(C[N@H+]2CCC[C@H](CN[C@@H]3CC[NH+]4CCC[C@H]4C3)C2)c1 ZINC000339068280 547568843 /nfs/dbraw/zinc/56/88/43/547568843.db2.gz CWRWGCPATRGMIF-KURKYZTESA-N 2 1 333.545 3.177 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@H](CN[C@@H]3CC[NH+]4CCC[C@H]4C3)C2)c1 ZINC000339068280 547568845 /nfs/dbraw/zinc/56/88/45/547568845.db2.gz CWRWGCPATRGMIF-KURKYZTESA-N 2 1 333.545 3.177 20 0 EGADMP c1csc(CN2CCC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000339068280 547568848 /nfs/dbraw/zinc/56/88/48/547568848.db2.gz CWRWGCPATRGMIF-KURKYZTESA-N 2 1 333.545 3.177 20 0 EGADMP c1csc(CN2CCC[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000339068280 547568852 /nfs/dbraw/zinc/56/88/52/547568852.db2.gz CWRWGCPATRGMIF-KURKYZTESA-N 2 1 333.545 3.177 20 0 EGADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)CC[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000339248779 547572779 /nfs/dbraw/zinc/57/27/79/547572779.db2.gz BEDYQIIZZIYDGU-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H](Cc1cccs1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000675724188 548968322 /nfs/dbraw/zinc/96/83/22/548968322.db2.gz KEDJQVFVUMPVPU-NVXWUHKLSA-N 2 1 349.569 3.319 20 0 EGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675883119 548996783 /nfs/dbraw/zinc/99/67/83/548996783.db2.gz WRXLSFQTMZRGRY-CTNGQTDRSA-N 2 1 344.499 3.306 20 0 EGADMP c1ccc([C@H](C[NH+]2CCCCC2)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000677237095 549234623 /nfs/dbraw/zinc/23/46/23/549234623.db2.gz ASBJXIBTUOAEGD-HBMCJLEFSA-N 2 1 327.516 3.430 20 0 EGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000677239947 549235395 /nfs/dbraw/zinc/23/53/95/549235395.db2.gz AKLYJXBQJDUUGH-GBESFXJTSA-N 2 1 331.479 3.319 20 0 EGADMP CCC1(O)CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000678546175 549517372 /nfs/dbraw/zinc/51/73/72/549517372.db2.gz DYGWGJVSYPIHJX-UHFFFAOYSA-N 2 1 330.516 3.367 20 0 EGADMP Cc1ccc(C[NH+]2CCSCC2)cc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000679100004 549635316 /nfs/dbraw/zinc/63/53/16/549635316.db2.gz YDDZIPZNQHKCMT-WMZOPIPTSA-N 2 1 333.545 3.438 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000681237537 549971585 /nfs/dbraw/zinc/97/15/85/549971585.db2.gz JIKPEWGMAUWNAX-GOSISDBHSA-N 2 1 345.531 3.196 20 0 EGADMP CCc1cccc(Cl)c1CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000682778391 550143418 /nfs/dbraw/zinc/14/34/18/550143418.db2.gz DRVJJIZASUAYIA-KRWDZBQOSA-N 2 1 335.923 3.114 20 0 EGADMP C[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000683110044 550191658 /nfs/dbraw/zinc/19/16/58/550191658.db2.gz XCJBVLPTHFCIQF-KRWDZBQOSA-N 2 1 332.488 3.161 20 0 EGADMP C[C@H]1CSCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000683109549 550191952 /nfs/dbraw/zinc/19/19/52/550191952.db2.gz SPTHZEZYPRFAFF-QGZVFWFLSA-N 2 1 334.529 3.346 20 0 EGADMP CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000683722667 550254989 /nfs/dbraw/zinc/25/49/89/550254989.db2.gz SIQGOPNMGCCIER-OAQYLSRUSA-N 2 1 346.515 3.288 20 0 EGADMP C[N@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCc2ccccc21 ZINC000683787768 550261862 /nfs/dbraw/zinc/26/18/62/550261862.db2.gz PYMWMVARMBDUIH-FGZHOGPDSA-N 2 1 336.479 3.243 20 0 EGADMP C[N@@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCc2ccccc21 ZINC000683787768 550261864 /nfs/dbraw/zinc/26/18/64/550261864.db2.gz PYMWMVARMBDUIH-FGZHOGPDSA-N 2 1 336.479 3.243 20 0 EGADMP C[NH+](C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCc2ccccc21 ZINC000683787768 550261866 /nfs/dbraw/zinc/26/18/66/550261866.db2.gz PYMWMVARMBDUIH-FGZHOGPDSA-N 2 1 336.479 3.243 20 0 EGADMP C[NH+](C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCc2ccccc21 ZINC000683787768 550261868 /nfs/dbraw/zinc/26/18/68/550261868.db2.gz PYMWMVARMBDUIH-FGZHOGPDSA-N 2 1 336.479 3.243 20 0 EGADMP Cc1ccc2c(c1)C[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)CCO2 ZINC000685442763 550417394 /nfs/dbraw/zinc/41/73/94/550417394.db2.gz HKNIFJYKXPLGLP-UHFFFAOYSA-N 2 1 340.467 3.330 20 0 EGADMP Cc1ccc2c(c1)C[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)CCO2 ZINC000685442763 550417395 /nfs/dbraw/zinc/41/73/95/550417395.db2.gz HKNIFJYKXPLGLP-UHFFFAOYSA-N 2 1 340.467 3.330 20 0 EGADMP C[C@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000685457273 550418762 /nfs/dbraw/zinc/41/87/62/550418762.db2.gz RJIPGDOUGDNDTQ-UZLBHIALSA-N 2 1 333.495 3.030 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000732268767 575250802 /nfs/dbraw/zinc/25/08/02/575250802.db2.gz LVJUYLZUMFAUIY-SFHVURJKSA-N 2 1 345.531 3.062 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000732268767 575250804 /nfs/dbraw/zinc/25/08/04/575250804.db2.gz LVJUYLZUMFAUIY-SFHVURJKSA-N 2 1 345.531 3.062 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000732268767 575250807 /nfs/dbraw/zinc/25/08/07/575250807.db2.gz LVJUYLZUMFAUIY-SFHVURJKSA-N 2 1 345.531 3.062 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@](C)(O)c2ccccc2)C1 ZINC000733795974 575396796 /nfs/dbraw/zinc/39/67/96/575396796.db2.gz WLPMAKDIGNVROB-SBHAEUEKSA-N 2 1 330.516 3.481 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000733795974 575396798 /nfs/dbraw/zinc/39/67/98/575396798.db2.gz WLPMAKDIGNVROB-SBHAEUEKSA-N 2 1 330.516 3.481 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000733795974 575396800 /nfs/dbraw/zinc/39/68/00/575396800.db2.gz WLPMAKDIGNVROB-SBHAEUEKSA-N 2 1 330.516 3.481 20 0 EGADMP COc1ccc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)cc1 ZINC000678686097 576169558 /nfs/dbraw/zinc/16/95/58/576169558.db2.gz OGWHKMGLMDSAQP-NHCUHLMSSA-N 2 1 344.499 3.379 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cn2cnc3cc(F)c(F)cc32)CC1 ZINC000738089743 576286940 /nfs/dbraw/zinc/28/69/40/576286940.db2.gz LNBYKEUHVGZCRQ-UHFFFAOYSA-N 2 1 336.430 3.324 20 0 EGADMP Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C2=O)cc1 ZINC000742706580 576793726 /nfs/dbraw/zinc/79/37/26/576793726.db2.gz NMYDNOAYBGULEM-MOPGFXCFSA-N 2 1 345.531 3.446 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)ccc2OC)C1 ZINC000063917784 1292031906 /nfs/dbraw/zinc/03/19/06/1292031906.db2.gz AJOLMBHRWGGUAR-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)ccc2OC)C1 ZINC000063917784 1292031917 /nfs/dbraw/zinc/03/19/17/1292031917.db2.gz AJOLMBHRWGGUAR-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000067223076 1292154633 /nfs/dbraw/zinc/15/46/33/1292154633.db2.gz BJZQJKDHILMAGU-CYBMUJFWSA-N 2 1 329.257 3.410 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000067223076 1292154639 /nfs/dbraw/zinc/15/46/39/1292154639.db2.gz BJZQJKDHILMAGU-CYBMUJFWSA-N 2 1 329.257 3.410 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2OC)C1 ZINC000067223073 1292155125 /nfs/dbraw/zinc/15/51/25/1292155125.db2.gz RGLJJDJFOATKDE-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2OC)C1 ZINC000067223073 1292155130 /nfs/dbraw/zinc/15/51/30/1292155130.db2.gz RGLJJDJFOATKDE-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000075760943 1292409916 /nfs/dbraw/zinc/40/99/16/1292409916.db2.gz MVBSMAIXESEKOD-UHFFFAOYSA-N 2 1 326.488 3.391 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000089553771 1292772357 /nfs/dbraw/zinc/77/23/57/1292772357.db2.gz KUWBPPBHHZTTQM-KCXAZCMYSA-N 2 1 330.394 3.059 20 0 EGADMP CCc1nn(C)cc1C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000092371058 1292864411 /nfs/dbraw/zinc/86/44/11/1292864411.db2.gz WFCPCARAJBIQLO-UHFFFAOYSA-N 2 1 326.488 3.045 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccccc2)C1 ZINC000093067180 1292906208 /nfs/dbraw/zinc/90/62/08/1292906208.db2.gz NVRSTBAWOUFAHN-QGZVFWFLSA-N 2 1 326.488 3.297 20 0 EGADMP COc1cc(C)c(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000120811324 1293340547 /nfs/dbraw/zinc/34/05/47/1293340547.db2.gz GMHJPWOOGAAUDY-QGZVFWFLSA-N 2 1 334.504 3.470 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3C)nc1)CC2 ZINC000121110129 1293356666 /nfs/dbraw/zinc/35/66/66/1293356666.db2.gz ASKCVVQGSGAEEF-IBGZPJMESA-N 2 1 348.450 3.231 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](CCOC(C)C)CC1)CC2 ZINC000121494254 1293374205 /nfs/dbraw/zinc/37/42/05/1293374205.db2.gz BGMALSFVOKGPCU-FQEVSTJZSA-N 2 1 346.515 3.032 20 0 EGADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1F ZINC000127793329 1293573375 /nfs/dbraw/zinc/57/33/75/1293573375.db2.gz WYOQCMQQQIUAHN-NRFANRHFSA-N 2 1 342.458 3.156 20 0 EGADMP COCC[NH+]1CCC([NH2+]Cc2ccc3cc(OC)ccc3c2)CC1 ZINC000129472482 1293624911 /nfs/dbraw/zinc/62/49/11/1293624911.db2.gz DHJZZDUUUWEQFC-UHFFFAOYSA-N 2 1 328.456 3.049 20 0 EGADMP CC(C)c1ncc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)s1 ZINC000131783455 1293700756 /nfs/dbraw/zinc/70/07/56/1293700756.db2.gz ZUPSCGVYGYPQOW-UHFFFAOYSA-N 2 1 333.501 3.497 20 0 EGADMP Cc1cc(N2CCC([NH2+]Cc3cnc(C(C)C)s3)CC2)nc(C)[nH+]1 ZINC000133313812 1293741421 /nfs/dbraw/zinc/74/14/21/1293741421.db2.gz RGBUIKUDWWYLKM-UHFFFAOYSA-N 2 1 345.516 3.432 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(C)cn3)CC2)cs1 ZINC000134308782 1293770534 /nfs/dbraw/zinc/77/05/34/1293770534.db2.gz LHHKVCQMFPUKRT-UHFFFAOYSA-N 2 1 344.528 3.411 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000153315394 1294009281 /nfs/dbraw/zinc/00/92/81/1294009281.db2.gz QTRDZDBQYSDRQN-WIYYLYMNSA-N 2 1 347.547 3.022 20 0 EGADMP Cc1nn(C)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000160128110 1294258847 /nfs/dbraw/zinc/25/88/47/1294258847.db2.gz HFSYYGWKSBLFEE-INIZCTEOSA-N 2 1 326.488 3.250 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000166449617 1294362786 /nfs/dbraw/zinc/36/27/86/1294362786.db2.gz MSRKBUBVAAJWMQ-HCXYKTFWSA-N 2 1 335.536 3.007 20 0 EGADMP CCCCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1(C)C ZINC000181851822 1294996599 /nfs/dbraw/zinc/99/65/99/1294996599.db2.gz XLYKKBJCLIFSMM-RTBURBONSA-N 2 1 340.552 3.449 20 0 EGADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)ccc1OC ZINC000182234468 1295027320 /nfs/dbraw/zinc/02/73/20/1295027320.db2.gz RIZQOAVZBXWETM-MRXNPFEDSA-N 3 1 333.520 3.282 20 0 EGADMP C[C@@H]([NH2+]CC(=O)NC1CCCCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185731262 1295281513 /nfs/dbraw/zinc/28/15/13/1295281513.db2.gz IDWOOYVFGSBLBI-MSOLQXFVSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@@H]([NH2+]CC(=O)NC1CCCCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185731262 1295281519 /nfs/dbraw/zinc/28/15/19/1295281519.db2.gz IDWOOYVFGSBLBI-MSOLQXFVSA-N 2 1 349.563 3.458 20 0 EGADMP CCC[N@H+]1CC[C@@H](CNCC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000236783955 1296202775 /nfs/dbraw/zinc/20/27/75/1296202775.db2.gz RLYDZQRTQDYWKG-FQEVSTJZSA-N 2 1 331.548 3.466 20 0 EGADMP CCC[NH+]1CC[C@@H](CNCC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000236783955 1296202780 /nfs/dbraw/zinc/20/27/80/1296202780.db2.gz RLYDZQRTQDYWKG-FQEVSTJZSA-N 2 1 331.548 3.466 20 0 EGADMP CCC[NH+]1CC[C@@H](CNCC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000236783955 1296202789 /nfs/dbraw/zinc/20/27/89/1296202789.db2.gz RLYDZQRTQDYWKG-FQEVSTJZSA-N 2 1 331.548 3.466 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000236783955 1296202798 /nfs/dbraw/zinc/20/27/98/1296202798.db2.gz RLYDZQRTQDYWKG-FQEVSTJZSA-N 3 1 331.548 3.466 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000236783955 1296202809 /nfs/dbraw/zinc/20/28/09/1296202809.db2.gz RLYDZQRTQDYWKG-FQEVSTJZSA-N 3 1 331.548 3.466 20 0 EGADMP CCC[NH+]1CC[C@@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000236783955 1296202822 /nfs/dbraw/zinc/20/28/22/1296202822.db2.gz RLYDZQRTQDYWKG-FQEVSTJZSA-N 3 1 331.548 3.466 20 0 EGADMP CCC[NH+]1CC[C@@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000236783955 1296202832 /nfs/dbraw/zinc/20/28/32/1296202832.db2.gz RLYDZQRTQDYWKG-FQEVSTJZSA-N 3 1 331.548 3.466 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000261538110 1296592839 /nfs/dbraw/zinc/59/28/39/1296592839.db2.gz DBDITEGQVUEKTA-JSXRDJHFSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000261538110 1296592848 /nfs/dbraw/zinc/59/28/48/1296592848.db2.gz DBDITEGQVUEKTA-JSXRDJHFSA-N 2 1 327.516 3.161 20 0 EGADMP O=c1[nH]c2cc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)ccc2o1 ZINC000872122908 1296748772 /nfs/dbraw/zinc/74/87/72/1296748772.db2.gz JMFIONDCYIRNBB-UHFFFAOYSA-N 2 1 329.444 3.420 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCN(Cc2ccccc2)c2ccccn2)CC[N@H+]1C ZINC000872123640 1296751935 /nfs/dbraw/zinc/75/19/35/1296751935.db2.gz YYZMIZGWGVUTOU-QUCCMNQESA-N 2 1 338.499 3.161 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(C(F)(F)F)co2)C1 ZINC000872145939 1296767132 /nfs/dbraw/zinc/76/71/32/1296767132.db2.gz ZRNFSOHCMMZDNV-BPLDGKMQSA-N 2 1 332.366 3.159 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(C(F)(F)F)co2)C1 ZINC000872145939 1296767143 /nfs/dbraw/zinc/76/71/43/1296767143.db2.gz ZRNFSOHCMMZDNV-BPLDGKMQSA-N 2 1 332.366 3.159 20 0 EGADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000310944441 1297103219 /nfs/dbraw/zinc/10/32/19/1297103219.db2.gz XDKWGGNIZBRWQG-NQIIRXRSSA-N 2 1 342.458 3.361 20 0 EGADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000311181311 1297106909 /nfs/dbraw/zinc/10/69/09/1297106909.db2.gz YTYWSOKWNXRMLL-JXFKEZNVSA-N 2 1 346.421 3.110 20 0 EGADMP CCON1CCC([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000323129347 1297195251 /nfs/dbraw/zinc/19/52/51/1297195251.db2.gz PYVIBLYTQXDENW-FQEVSTJZSA-N 2 1 345.531 3.294 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873203044 1297348454 /nfs/dbraw/zinc/34/84/54/1297348454.db2.gz MZERHPFSIZHMKG-UHFFFAOYSA-N 3 1 335.561 3.338 20 0 EGADMP C[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](c2ccsc2)O1 ZINC000873208422 1297353612 /nfs/dbraw/zinc/35/36/12/1297353612.db2.gz VVZLVFJUHUHFJQ-LRDDRELGSA-N 2 1 334.510 3.417 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](c2ccsc2)O1 ZINC000873208422 1297353625 /nfs/dbraw/zinc/35/36/25/1297353625.db2.gz VVZLVFJUHUHFJQ-LRDDRELGSA-N 2 1 334.510 3.417 20 0 EGADMP c1c(C[N@@H+]2CC[C@H](COc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000873210189 1297354603 /nfs/dbraw/zinc/35/46/03/1297354603.db2.gz YLOXAVJTDUYMDW-HNNXBMFYSA-N 2 1 328.481 3.295 20 0 EGADMP COc1cc2c(cc1F)C[N@H+](Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC000873210613 1297356096 /nfs/dbraw/zinc/35/60/96/1297356096.db2.gz LYLFECYXVXMRQX-UHFFFAOYSA-N 2 1 332.444 3.100 20 0 EGADMP COc1cc2c(cc1F)C[N@@H+](Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC000873210613 1297356112 /nfs/dbraw/zinc/35/61/12/1297356112.db2.gz LYLFECYXVXMRQX-UHFFFAOYSA-N 2 1 332.444 3.100 20 0 EGADMP Brc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000873261523 1297395191 /nfs/dbraw/zinc/39/51/91/1297395191.db2.gz DUYDLQDJXPLBFW-OWCLPIDISA-N 2 1 338.293 3.245 20 0 EGADMP C[C@H](NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873292287 1297414445 /nfs/dbraw/zinc/41/44/45/1297414445.db2.gz AGGYDAZVGWZXKB-NMNUPHIUSA-N 2 1 349.522 3.201 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CN1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000873292287 1297414447 /nfs/dbraw/zinc/41/44/47/1297414447.db2.gz AGGYDAZVGWZXKB-NMNUPHIUSA-N 2 1 349.522 3.201 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CN1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873292287 1297414450 /nfs/dbraw/zinc/41/44/50/1297414450.db2.gz AGGYDAZVGWZXKB-NMNUPHIUSA-N 2 1 349.522 3.201 20 0 EGADMP CCCn1nccc1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000383455220 1297569650 /nfs/dbraw/zinc/56/96/50/1297569650.db2.gz KVJSGTOUBNYDNV-HXUWFJFHSA-N 2 1 326.488 3.295 20 0 EGADMP CCCn1nccc1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000383455220 1297569659 /nfs/dbraw/zinc/56/96/59/1297569659.db2.gz KVJSGTOUBNYDNV-HXUWFJFHSA-N 2 1 326.488 3.295 20 0 EGADMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(F)cccc1F ZINC000386011993 1297587647 /nfs/dbraw/zinc/58/76/47/1297587647.db2.gz VLKPQXCFWMIHPQ-APWZRJJASA-N 2 1 346.421 3.110 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@H]1OC ZINC000390527034 1297626679 /nfs/dbraw/zinc/62/66/79/1297626679.db2.gz CRMKKXZSBSDURQ-MTQWCTHYSA-N 2 1 346.515 3.069 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@H]1OC ZINC000390527034 1297626688 /nfs/dbraw/zinc/62/66/88/1297626688.db2.gz CRMKKXZSBSDURQ-MTQWCTHYSA-N 2 1 346.515 3.069 20 0 EGADMP CC(C)(C)[NH2+]CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000391120660 1297637960 /nfs/dbraw/zinc/63/79/60/1297637960.db2.gz JVLAGPVFCKQBTA-GOSISDBHSA-N 2 1 345.531 3.182 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400445662 1297731504 /nfs/dbraw/zinc/73/15/04/1297731504.db2.gz PNMPLJACUHLLEK-HOTGVXAUSA-N 2 1 341.540 3.342 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400445662 1297731513 /nfs/dbraw/zinc/73/15/13/1297731513.db2.gz PNMPLJACUHLLEK-HOTGVXAUSA-N 2 1 341.540 3.342 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC000401333947 1297740690 /nfs/dbraw/zinc/74/06/90/1297740690.db2.gz QRILJYRCOVHVOS-GOSISDBHSA-N 2 1 347.503 3.143 20 0 EGADMP C[C@@H]1CN(C(=O)C2([NH3+])CCCCC2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000404386426 1297751168 /nfs/dbraw/zinc/75/11/68/1297751168.db2.gz NCXGIJZPEJGJAL-KZNAEPCWSA-N 2 1 343.515 3.158 20 0 EGADMP C[C@@H]1CN(C(=O)C2([NH3+])CCCCC2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000404386426 1297751174 /nfs/dbraw/zinc/75/11/74/1297751174.db2.gz NCXGIJZPEJGJAL-KZNAEPCWSA-N 2 1 343.515 3.158 20 0 EGADMP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C12CCC2 ZINC000453107592 1297890323 /nfs/dbraw/zinc/89/03/23/1297890323.db2.gz LLKGCDWIBOZSBC-SLFFLAALSA-N 2 1 328.500 3.098 20 0 EGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(Br)cn1)CC2 ZINC000691890996 1298139205 /nfs/dbraw/zinc/13/92/05/1298139205.db2.gz GETPSKDRONDKGT-UHFFFAOYSA-N 2 1 338.293 3.152 20 0 EGADMP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700804791 1298179395 /nfs/dbraw/zinc/17/93/95/1298179395.db2.gz RFQSSEQEKHUTBR-DLBZAZTESA-N 2 1 341.540 3.391 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000700800732 1298179958 /nfs/dbraw/zinc/17/99/58/1298179958.db2.gz VGFPYXOZRSWVTM-ZACQAIPSSA-N 2 1 339.524 3.144 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000700803866 1298179974 /nfs/dbraw/zinc/17/99/74/1298179974.db2.gz NFXUEEWHJOJEOM-ZACQAIPSSA-N 2 1 339.524 3.001 20 0 EGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000702628432 1298194936 /nfs/dbraw/zinc/19/49/36/1298194936.db2.gz LKKDPFRYWZDDFV-NJDAHSKKSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000702628432 1298194945 /nfs/dbraw/zinc/19/49/45/1298194945.db2.gz LKKDPFRYWZDDFV-NJDAHSKKSA-N 2 1 330.516 3.428 20 0 EGADMP CC[C@@H]1CCC[C@H](C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000702635382 1298196058 /nfs/dbraw/zinc/19/60/58/1298196058.db2.gz JGBKMWHXVIXAPR-HLAWJBBLSA-N 2 1 330.516 3.429 20 0 EGADMP CC[C@@H]1CCC[C@H](C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000702635382 1298196063 /nfs/dbraw/zinc/19/60/63/1298196063.db2.gz JGBKMWHXVIXAPR-HLAWJBBLSA-N 2 1 330.516 3.429 20 0 EGADMP CC1(C)OC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)O1 ZINC000715145484 1298278553 /nfs/dbraw/zinc/27/85/53/1298278553.db2.gz AZEKBQYMFMHEEN-ZWKOTPCHSA-N 2 1 332.488 3.028 20 0 EGADMP CC1(C)OC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)O1 ZINC000715145484 1298278560 /nfs/dbraw/zinc/27/85/60/1298278560.db2.gz AZEKBQYMFMHEEN-ZWKOTPCHSA-N 2 1 332.488 3.028 20 0 EGADMP COc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715512786 1298279664 /nfs/dbraw/zinc/27/96/64/1298279664.db2.gz PDCGZRJUFXMBBB-GJZGRUSLSA-N 2 1 341.293 3.420 20 0 EGADMP CN(c1ccccc1C[NH2+]Cc1cccc(F)n1)C1CC[NH+](C)CC1 ZINC000747926864 1298890734 /nfs/dbraw/zinc/89/07/34/1298890734.db2.gz YUEQPJDQCVEABF-UHFFFAOYSA-N 2 1 342.462 3.041 20 0 EGADMP CCC(CC)(CNC(=O)OC(C)(C)C)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000877138050 1299177758 /nfs/dbraw/zinc/17/77/58/1299177758.db2.gz IDFFWCANMISGOB-UHFFFAOYSA-N 2 1 339.524 3.169 20 0 EGADMP c1ccc([C@H]2C[C@H](NCC[NH+]3CCCCC3)CC[N@H+]2C2CC2)cc1 ZINC000877145585 1299180401 /nfs/dbraw/zinc/18/04/01/1299180401.db2.gz MCYOZVPENMIMSP-TZIWHRDSSA-N 2 1 327.516 3.430 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749948735 1299308894 /nfs/dbraw/zinc/30/88/94/1299308894.db2.gz AFCIJVDIUQRYML-WOJBJXKFSA-N 2 1 343.515 3.319 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749948735 1299308903 /nfs/dbraw/zinc/30/89/03/1299308903.db2.gz AFCIJVDIUQRYML-WOJBJXKFSA-N 2 1 343.515 3.319 20 0 EGADMP Cn1cncc1C[NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000877540118 1299381791 /nfs/dbraw/zinc/38/17/91/1299381791.db2.gz SOGABMWNGZQYQL-NRFANRHFSA-N 2 1 340.515 3.448 20 0 EGADMP Cn1cncc1C[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000877540118 1299381802 /nfs/dbraw/zinc/38/18/02/1299381802.db2.gz SOGABMWNGZQYQL-NRFANRHFSA-N 2 1 340.515 3.448 20 0 EGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000878287591 1299893896 /nfs/dbraw/zinc/89/38/96/1299893896.db2.gz GYEIVXIFFHSXJG-LJQANCHMSA-N 2 1 342.487 3.263 20 0 EGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000878287591 1299893910 /nfs/dbraw/zinc/89/39/10/1299893910.db2.gz GYEIVXIFFHSXJG-LJQANCHMSA-N 2 1 342.487 3.263 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3ccc(-c4cccs4)n3)C2)CC1 ZINC000755775728 1300394779 /nfs/dbraw/zinc/39/47/79/1300394779.db2.gz UEWDYIATRYTUJA-MRXNPFEDSA-N 2 1 330.501 3.233 20 0 EGADMP C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249149 1300452881 /nfs/dbraw/zinc/45/28/81/1300452881.db2.gz GRLLQYIBZGPIIH-OAHLLOKOSA-N 2 1 340.471 3.204 20 0 EGADMP FC(F)(F)[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000761056453 1301396809 /nfs/dbraw/zinc/39/68/09/1301396809.db2.gz XMSLSFZHBNBPRH-ZRGSSGQVSA-N 2 1 330.316 3.311 20 0 EGADMP FC(F)(F)[C@@H]1CC[N@@H+](C/C=C/C[NH+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000761056453 1301396822 /nfs/dbraw/zinc/39/68/22/1301396822.db2.gz XMSLSFZHBNBPRH-ZRGSSGQVSA-N 2 1 330.316 3.311 20 0 EGADMP FC(F)(F)[C@@H]1CC[N@H+](C/C=C/C[NH+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000761056453 1301396834 /nfs/dbraw/zinc/39/68/34/1301396834.db2.gz XMSLSFZHBNBPRH-ZRGSSGQVSA-N 2 1 330.316 3.311 20 0 EGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000762789385 1301749945 /nfs/dbraw/zinc/74/99/45/1301749945.db2.gz UDZCRVLLSKWRDS-RDJZCZTQSA-N 2 1 342.455 3.035 20 0 EGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000762789385 1301749951 /nfs/dbraw/zinc/74/99/51/1301749951.db2.gz UDZCRVLLSKWRDS-RDJZCZTQSA-N 2 1 342.455 3.035 20 0 EGADMP CN(CCC[N@@H+](C)Cc1ccncc1)c1cc[nH+]cc1C(F)(F)F ZINC000882521095 1302002315 /nfs/dbraw/zinc/00/23/15/1302002315.db2.gz OBXRTWFHTVXILT-UHFFFAOYSA-N 2 1 338.377 3.454 20 0 EGADMP C[C@H](CSC(C)(C)C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000765240708 1302225362 /nfs/dbraw/zinc/22/53/62/1302225362.db2.gz XPVVEAWNKKHDKW-QGZVFWFLSA-N 2 1 349.588 3.444 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C[C@H]1C(F)(F)F ZINC000883441056 1302445018 /nfs/dbraw/zinc/44/50/18/1302445018.db2.gz GNRDQHPHXWFNPT-TWMKSMIVSA-N 2 1 342.405 3.366 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C[C@H]1C(F)(F)F ZINC000883441056 1302445021 /nfs/dbraw/zinc/44/50/21/1302445021.db2.gz GNRDQHPHXWFNPT-TWMKSMIVSA-N 2 1 342.405 3.366 20 0 EGADMP c1ccc2c(c1)C[N@@H+](Cc1cccc3c1CC[NH2+]C3)C[C@H]1CCCN21 ZINC000883462715 1302453876 /nfs/dbraw/zinc/45/38/76/1302453876.db2.gz YBJJZMZYZGOUPA-HXUWFJFHSA-N 2 1 333.479 3.317 20 0 EGADMP O=C(CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2)C1CC1 ZINC000767410897 1302663631 /nfs/dbraw/zinc/66/36/31/1302663631.db2.gz GDGVESXVYHJJOY-OAQYLSRUSA-N 2 1 326.484 3.344 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000767453168 1302682503 /nfs/dbraw/zinc/68/25/03/1302682503.db2.gz LBGUHFYFPOHIFY-INIZCTEOSA-N 2 1 341.377 3.266 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000767453168 1302682514 /nfs/dbraw/zinc/68/25/14/1302682514.db2.gz LBGUHFYFPOHIFY-INIZCTEOSA-N 2 1 341.377 3.266 20 0 EGADMP Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(OCC[NH+](C)C)cc2)no1 ZINC000768428222 1302898805 /nfs/dbraw/zinc/89/88/05/1302898805.db2.gz FIXJTGDTSSKAFJ-IBGZPJMESA-N 2 1 329.444 3.261 20 0 EGADMP Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(OCC[NH+](C)C)cc2)no1 ZINC000768428222 1302898814 /nfs/dbraw/zinc/89/88/14/1302898814.db2.gz FIXJTGDTSSKAFJ-IBGZPJMESA-N 2 1 329.444 3.261 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000769682851 1303157686 /nfs/dbraw/zinc/15/76/86/1303157686.db2.gz BGLNFLZBCSJLDD-WCXIOVBPSA-N 2 1 341.540 3.388 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000769682851 1303157689 /nfs/dbraw/zinc/15/76/89/1303157689.db2.gz BGLNFLZBCSJLDD-WCXIOVBPSA-N 2 1 341.540 3.388 20 0 EGADMP C([NH2+][C@@H]1CCOC2(CCOCC2)C1)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000886104495 1303355420 /nfs/dbraw/zinc/35/54/20/1303355420.db2.gz DGTRVSGNFRHQRC-MJGOQNOKSA-N 2 1 336.520 3.101 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CC4(CCC4)CO3)CC2)cc1 ZINC000886287441 1303422157 /nfs/dbraw/zinc/42/21/57/1303422157.db2.gz RLXVHQPXBNSXRL-HXUWFJFHSA-N 2 1 328.500 3.242 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@H]3CCc4ccccc4NC3=O)CC2)[nH+]c1C ZINC000886662812 1303544133 /nfs/dbraw/zinc/54/41/33/1303544133.db2.gz MMDHHTWSLDQBDL-SFHVURJKSA-N 2 1 338.455 3.159 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)N3[C@H](C)CCC[C@@H]3C)CC2)[nH+]c1C ZINC000886670823 1303549788 /nfs/dbraw/zinc/54/97/88/1303549788.db2.gz WVRYLYSQNLXBGR-JKIFEVAISA-N 2 1 346.519 3.384 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886671937 1303550994 /nfs/dbraw/zinc/55/09/94/1303550994.db2.gz GRAICKRHVMTOOK-FUHWJXTLSA-N 2 1 346.519 3.386 20 0 EGADMP C[C@@H](Cc1cccc(F)c1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000772976994 1303600447 /nfs/dbraw/zinc/60/04/47/1303600447.db2.gz AALQUAUJHYMIMH-KRWDZBQOSA-N 2 1 334.479 3.381 20 0 EGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000887134995 1303685967 /nfs/dbraw/zinc/68/59/67/1303685967.db2.gz UCYAJNFQBJQONM-ZDUSSCGKSA-N 2 1 336.361 3.206 20 0 EGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000887134995 1303685969 /nfs/dbraw/zinc/68/59/69/1303685969.db2.gz UCYAJNFQBJQONM-ZDUSSCGKSA-N 2 1 336.361 3.206 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CC[C@H]3SCCS[C@H]13)C2 ZINC000775364390 1303947511 /nfs/dbraw/zinc/94/75/11/1303947511.db2.gz MRSNPLWVWUEIGZ-GUDVDZBRSA-N 2 1 348.581 3.404 20 0 EGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CC[C@H]3SCCS[C@H]13)C2 ZINC000775364390 1303947517 /nfs/dbraw/zinc/94/75/17/1303947517.db2.gz MRSNPLWVWUEIGZ-GUDVDZBRSA-N 2 1 348.581 3.404 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@H](C)[C@H](O)c2c(F)cccc2Cl)CC1 ZINC000775413032 1303960548 /nfs/dbraw/zinc/96/05/48/1303960548.db2.gz UTMJTAUWTKSCSE-PXAZEXFGSA-N 2 1 328.859 3.365 20 0 EGADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)ccc1OC ZINC000776167065 1304104967 /nfs/dbraw/zinc/10/49/67/1304104967.db2.gz JRAXXAWGVJNETB-KRWDZBQOSA-N 3 1 345.531 3.450 20 0 EGADMP CC[C@H](C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000779015382 1304518090 /nfs/dbraw/zinc/51/80/90/1304518090.db2.gz UTWPRJVSJCRTFW-BBWFWOEESA-N 2 1 339.524 3.144 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@](C)(O)c2ccccc2)[C@@H](C)C1 ZINC000779085226 1304528091 /nfs/dbraw/zinc/52/80/91/1304528091.db2.gz KUYVKSOJDVEEHA-SESVDKBCSA-N 2 1 348.531 3.011 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000781198695 1304788876 /nfs/dbraw/zinc/78/88/76/1304788876.db2.gz DHRRGQWGBNRIMB-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781198695 1304788881 /nfs/dbraw/zinc/78/88/81/1304788881.db2.gz DHRRGQWGBNRIMB-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781198695 1304788883 /nfs/dbraw/zinc/78/88/83/1304788883.db2.gz DHRRGQWGBNRIMB-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1C[N@@H+]([C@H]2CCc3cc(Cl)ccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000782184835 1304927475 /nfs/dbraw/zinc/92/74/75/1304927475.db2.gz GDOFKRGPJGZHGY-XPGWFJOJSA-N 2 1 347.934 3.285 20 0 EGADMP C[C@@H]1C[N@H+]([C@H]2CCc3cc(Cl)ccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000782184835 1304927482 /nfs/dbraw/zinc/92/74/82/1304927482.db2.gz GDOFKRGPJGZHGY-XPGWFJOJSA-N 2 1 347.934 3.285 20 0 EGADMP C[NH+](C)CC1CC[NH+](c2ccc(NCC[C@@H]3CCOC3)cc2)CC1 ZINC000783583100 1305112149 /nfs/dbraw/zinc/11/21/49/1305112149.db2.gz DRTXLMBAWDWFMA-GOSISDBHSA-N 2 1 331.504 3.303 20 0 EGADMP C[NH+]1CCC(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000891772188 1305161039 /nfs/dbraw/zinc/16/10/39/1305161039.db2.gz XYSKSUKMZHKGLJ-TXEJJXNPSA-N 2 1 332.332 3.391 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000893305867 1305817037 /nfs/dbraw/zinc/81/70/37/1305817037.db2.gz YKTJXNNZGDRLSS-UHFFFAOYSA-N 2 1 345.487 3.063 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000788586645 1305975853 /nfs/dbraw/zinc/97/58/53/1305975853.db2.gz FDVWHOCNSLSHDY-WMZOPIPTSA-N 2 1 325.456 3.002 20 0 EGADMP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000894240663 1306298443 /nfs/dbraw/zinc/29/84/43/1306298443.db2.gz CLCIPANESSJISL-OAHLLOKOSA-N 2 1 343.471 3.165 20 0 EGADMP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000894240663 1306298454 /nfs/dbraw/zinc/29/84/54/1306298454.db2.gz CLCIPANESSJISL-OAHLLOKOSA-N 2 1 343.471 3.165 20 0 EGADMP CC(C)CC[NH+]1CCC(Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)CC1 ZINC000894569654 1308959816 /nfs/dbraw/zinc/95/98/16/1308959816.db2.gz MAQVNVMIXDLLFG-NRFANRHFSA-N 2 1 345.531 3.176 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000894853621 1309100694 /nfs/dbraw/zinc/10/06/94/1309100694.db2.gz YXAKDDOPYSLQSZ-OAQYLSRUSA-N 2 1 338.499 3.325 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000894853621 1309100697 /nfs/dbraw/zinc/10/06/97/1309100697.db2.gz YXAKDDOPYSLQSZ-OAQYLSRUSA-N 2 1 338.499 3.325 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000894853621 1309100700 /nfs/dbraw/zinc/10/07/00/1309100700.db2.gz YXAKDDOPYSLQSZ-OAQYLSRUSA-N 2 1 338.499 3.325 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000894853621 1309100703 /nfs/dbraw/zinc/10/07/03/1309100703.db2.gz YXAKDDOPYSLQSZ-OAQYLSRUSA-N 2 1 338.499 3.325 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000894853621 1309100707 /nfs/dbraw/zinc/10/07/07/1309100707.db2.gz YXAKDDOPYSLQSZ-OAQYLSRUSA-N 2 1 338.499 3.325 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000894853620 1309101184 /nfs/dbraw/zinc/10/11/84/1309101184.db2.gz YXAKDDOPYSLQSZ-NRFANRHFSA-N 2 1 338.499 3.325 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000894853620 1309101189 /nfs/dbraw/zinc/10/11/89/1309101189.db2.gz YXAKDDOPYSLQSZ-NRFANRHFSA-N 2 1 338.499 3.325 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000894853620 1309101196 /nfs/dbraw/zinc/10/11/96/1309101196.db2.gz YXAKDDOPYSLQSZ-NRFANRHFSA-N 2 1 338.499 3.325 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000894853620 1309101201 /nfs/dbraw/zinc/10/12/01/1309101201.db2.gz YXAKDDOPYSLQSZ-NRFANRHFSA-N 2 1 338.499 3.325 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000894853620 1309101205 /nfs/dbraw/zinc/10/12/05/1309101205.db2.gz YXAKDDOPYSLQSZ-NRFANRHFSA-N 2 1 338.499 3.325 20 0 EGADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000895769831 1309510984 /nfs/dbraw/zinc/51/09/84/1309510984.db2.gz QUJJRQRIRHGZEH-SFHVURJKSA-N 2 1 331.504 3.017 20 0 EGADMP CCC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H](O)c1ccccc1 ZINC000796363411 1309979137 /nfs/dbraw/zinc/97/91/37/1309979137.db2.gz OKEZDIDULQEUFH-AEFFLSMTSA-N 2 1 333.501 3.197 20 0 EGADMP CN(CCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C)C(=O)OC(C)(C)C ZINC000797965748 1310276346 /nfs/dbraw/zinc/27/63/46/1310276346.db2.gz TUYRJWPMIPATMI-MRXNPFEDSA-N 2 1 327.513 3.050 20 0 EGADMP CN(CCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C)C(=O)OC(C)(C)C ZINC000797965748 1310276352 /nfs/dbraw/zinc/27/63/52/1310276352.db2.gz TUYRJWPMIPATMI-MRXNPFEDSA-N 2 1 327.513 3.050 20 0 EGADMP CN(CCC[NH+](C)CC[C@H]1CCCC[N@H+]1C)C(=O)OC(C)(C)C ZINC000797965748 1310276358 /nfs/dbraw/zinc/27/63/58/1310276358.db2.gz TUYRJWPMIPATMI-MRXNPFEDSA-N 2 1 327.513 3.050 20 0 EGADMP CN(CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C(=O)OC(C)(C)C ZINC000797964845 1310276810 /nfs/dbraw/zinc/27/68/10/1310276810.db2.gz FIXKNXOTAWMDCQ-KRWDZBQOSA-N 2 1 339.524 3.051 20 0 EGADMP C([NH2+]CC1CCC2(CC1)OCCO2)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000798088148 1310293641 /nfs/dbraw/zinc/29/36/41/1310293641.db2.gz HZJHEMWTKCXJFC-IBGZPJMESA-N 2 1 336.520 3.306 20 0 EGADMP CSc1ccc(Br)cc1CC[NH2+]C1CC[NH+](C)CC1 ZINC000897515697 1310359075 /nfs/dbraw/zinc/35/90/75/1310359075.db2.gz ZAFISJXTRNECDO-UHFFFAOYSA-N 2 1 343.334 3.397 20 0 EGADMP COc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000799717570 1310605041 /nfs/dbraw/zinc/60/50/41/1310605041.db2.gz QIOUBURQDXFLDA-YLJYHZDGSA-N 2 1 344.499 3.306 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)C1 ZINC000857282812 1328526242 /nfs/dbraw/zinc/52/62/42/1328526242.db2.gz IHSALDWGAAUEQA-VQTJNVASSA-N 2 1 343.515 3.051 20 0 EGADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857282812 1328526243 /nfs/dbraw/zinc/52/62/43/1328526243.db2.gz IHSALDWGAAUEQA-VQTJNVASSA-N 2 1 343.515 3.051 20 0 EGADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857282812 1328526245 /nfs/dbraw/zinc/52/62/45/1328526245.db2.gz IHSALDWGAAUEQA-VQTJNVASSA-N 2 1 343.515 3.051 20 0 EGADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC000929451880 1328600455 /nfs/dbraw/zinc/60/04/55/1328600455.db2.gz SHKWRSNTUUAPMU-IBGZPJMESA-N 2 1 331.504 3.017 20 0 EGADMP CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)c1ccccc1 ZINC001019288772 1317145990 /nfs/dbraw/zinc/14/59/90/1317145990.db2.gz COKRUJMZCKVCSV-LEAZDLGRSA-N 2 1 343.515 3.059 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(CC)C1C[NH+](C[C@@H](C)CC)C1 ZINC000957113864 1317195199 /nfs/dbraw/zinc/19/51/99/1317195199.db2.gz ULCUVSAQCDJJJJ-PKOBYXMFSA-N 2 1 337.552 3.220 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1C ZINC000858100851 1328682926 /nfs/dbraw/zinc/68/29/26/1328682926.db2.gz PKUQLTPCTCTIID-UHFFFAOYSA-N 2 1 335.492 3.161 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001019468052 1317263209 /nfs/dbraw/zinc/26/32/09/1317263209.db2.gz FFZAKTPGWYLPDU-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)c1 ZINC000957411558 1317341913 /nfs/dbraw/zinc/34/19/13/1317341913.db2.gz JUFGQILRAKXAKP-QUCCMNQESA-N 2 1 345.531 3.095 20 0 EGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806148298 1317466033 /nfs/dbraw/zinc/46/60/33/1317466033.db2.gz FLQHCYIADDNTRS-RYQLBKOJSA-N 2 1 349.906 3.080 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)ccc2NC)[C@H](C)C1 ZINC000902245362 1317551838 /nfs/dbraw/zinc/55/18/38/1317551838.db2.gz QCKBUKBHOVHULV-MJGOQNOKSA-N 2 1 333.520 3.263 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001020151013 1317565092 /nfs/dbraw/zinc/56/50/92/1317565092.db2.gz HSKFJPXMEQBNMV-LWYYNNOASA-N 2 1 347.547 3.068 20 0 EGADMP COc1ccccc1-c1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)on1 ZINC000902394686 1317572908 /nfs/dbraw/zinc/57/29/08/1317572908.db2.gz AELAQLDVJHMPJG-AWEZNQCLSA-N 2 1 329.444 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC[N@H+]1C ZINC001020174898 1317574376 /nfs/dbraw/zinc/57/43/76/1317574376.db2.gz WVWJRVKYQXDFID-CADBVGFASA-N 2 1 349.563 3.170 20 0 EGADMP C[C@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000902439936 1317578908 /nfs/dbraw/zinc/57/89/08/1317578908.db2.gz VIUXBZNUTAUCLX-NTSGDEEZSA-N 2 1 335.495 3.111 20 0 EGADMP CC[C@H](C(=O)N1CCC(C[N@@H+](CC)CC2=CCCCC2)CC1)[NH+](C)C ZINC000957726787 1317593692 /nfs/dbraw/zinc/59/36/92/1317593692.db2.gz YNMIJZAMFRSFIH-HXUWFJFHSA-N 2 1 349.563 3.388 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC000957770285 1317634480 /nfs/dbraw/zinc/63/44/80/1317634480.db2.gz PCRKVNPWESKYQM-UHFFFAOYSA-N 2 1 337.552 3.076 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001020302734 1317635721 /nfs/dbraw/zinc/63/57/21/1317635721.db2.gz QSPYOKIMTBKVPB-MLYOOKFZSA-N 2 1 343.515 3.086 20 0 EGADMP CC(=O)OCc1cccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000903098827 1317652059 /nfs/dbraw/zinc/65/20/59/1317652059.db2.gz APMOXENKZXAJNS-HNNXBMFYSA-N 2 1 329.444 3.386 20 0 EGADMP COc1ccccc1O[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903103764 1317652911 /nfs/dbraw/zinc/65/29/11/1317652911.db2.gz OCVILTSHXCTLHH-UNPWZGGWSA-N 2 1 330.472 3.210 20 0 EGADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903099220 1317653086 /nfs/dbraw/zinc/65/30/86/1317653086.db2.gz ZCAVMDKMXVYGRW-UNPWZGGWSA-N 2 1 349.519 3.133 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903150680 1317664177 /nfs/dbraw/zinc/66/41/77/1317664177.db2.gz AAVZCCPECBWSBH-PHASAHSISA-N 2 1 339.527 3.254 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903150680 1317664184 /nfs/dbraw/zinc/66/41/84/1317664184.db2.gz AAVZCCPECBWSBH-PHASAHSISA-N 2 1 339.527 3.254 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903150680 1317664191 /nfs/dbraw/zinc/66/41/91/1317664191.db2.gz AAVZCCPECBWSBH-PHASAHSISA-N 2 1 339.527 3.254 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903150680 1317664198 /nfs/dbraw/zinc/66/41/98/1317664198.db2.gz AAVZCCPECBWSBH-PHASAHSISA-N 2 1 339.527 3.254 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903150680 1317664205 /nfs/dbraw/zinc/66/42/05/1317664205.db2.gz AAVZCCPECBWSBH-PHASAHSISA-N 2 1 339.527 3.254 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)C[C@H]1CC[NH3+] ZINC000903498852 1317706410 /nfs/dbraw/zinc/70/64/10/1317706410.db2.gz LREFSCZDDFVIBT-SJLPKXTDSA-N 2 1 325.456 3.077 20 0 EGADMP CC1(C)C[C@@H](c2ccccc2)C[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903788721 1317734412 /nfs/dbraw/zinc/73/44/12/1317734412.db2.gz PEXKRZBRYUMBCH-MOPGFXCFSA-N 2 1 328.500 3.413 20 0 EGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2cc3ccccc3[nH]c2=O)CCC1 ZINC000903814594 1317736547 /nfs/dbraw/zinc/73/65/47/1317736547.db2.gz NLTNZSKWOULZRW-SFHVURJKSA-N 2 1 325.456 3.424 20 0 EGADMP CC[N@@H+](Cc1ccccc1Cl)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903884255 1317741132 /nfs/dbraw/zinc/74/11/32/1317741132.db2.gz VUYZFOFWSWESLI-HNNXBMFYSA-N 2 1 334.895 3.021 20 0 EGADMP CC[N@H+](Cc1ccccc1Cl)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903884255 1317741139 /nfs/dbraw/zinc/74/11/39/1317741139.db2.gz VUYZFOFWSWESLI-HNNXBMFYSA-N 2 1 334.895 3.021 20 0 EGADMP FC(F)(F)c1cc([C@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)[nH]n1 ZINC000903909176 1317746721 /nfs/dbraw/zinc/74/67/21/1317746721.db2.gz CILKEIBBZIAZTF-PBNFFQIGSA-N 2 1 342.409 3.139 20 0 EGADMP [NH3+][C@H](C[NH2+]Cc1cccc(COCc2ccccc2)c1)CC(F)F ZINC000903920668 1317749143 /nfs/dbraw/zinc/74/91/43/1317749143.db2.gz KRNCFFICEIQZJF-SFHVURJKSA-N 2 1 334.410 3.476 20 0 EGADMP c1coc(-c2nc(C[NH2+]Cc3cccc4c3CC[NH2+]C4)cs2)c1 ZINC000903922916 1317749375 /nfs/dbraw/zinc/74/93/75/1317749375.db2.gz HHASEWXIHQHQET-UHFFFAOYSA-N 2 1 325.437 3.339 20 0 EGADMP Cn1cc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c(-c2cccs2)n1 ZINC000903959497 1317756521 /nfs/dbraw/zinc/75/65/21/1317756521.db2.gz IZWISTXKYUJIGM-GOSISDBHSA-N 2 1 330.501 3.114 20 0 EGADMP Cn1cc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c(-c2cccs2)n1 ZINC000903959497 1317756524 /nfs/dbraw/zinc/75/65/24/1317756524.db2.gz IZWISTXKYUJIGM-GOSISDBHSA-N 2 1 330.501 3.114 20 0 EGADMP C[N@H+]1CCCC[C@@H](CNCc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000858245831 1328720647 /nfs/dbraw/zinc/72/06/47/1328720647.db2.gz PEXGRCPNARAAMD-LBPRGKRZSA-N 2 1 341.286 3.463 20 0 EGADMP C[C@@]1(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)CCC[NH2+]C1 ZINC000904370996 1317837506 /nfs/dbraw/zinc/83/75/06/1317837506.db2.gz GZHXHWAOGXLYSH-LSDHHAIUSA-N 2 1 334.426 3.057 20 0 EGADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CC1([NH3+])CC1 ZINC000904448578 1317848492 /nfs/dbraw/zinc/84/84/92/1317848492.db2.gz BQVRCGKCRIGLHA-UHFFFAOYSA-N 2 1 332.451 3.429 20 0 EGADMP COc1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc(OC)c1O ZINC000809737320 1317884295 /nfs/dbraw/zinc/88/42/95/1317884295.db2.gz FZWQNQMFZKWOJM-UHFFFAOYSA-N 2 1 344.455 3.103 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@](C)(O)C(F)F)cc2)C1 ZINC000905905919 1318017097 /nfs/dbraw/zinc/01/70/97/1318017097.db2.gz HTWRNIDSJNZRIQ-KSSFIOAISA-N 2 1 326.431 3.024 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)c2cc(C[NH3+])ccn2)cc1)C(C)C ZINC000906224705 1318057593 /nfs/dbraw/zinc/05/75/93/1318057593.db2.gz SFPBJQQGTYPPLX-UHFFFAOYSA-N 2 1 340.471 3.047 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1)c1ccccc1 ZINC001021094701 1318080636 /nfs/dbraw/zinc/08/06/36/1318080636.db2.gz YPFMMOCRYOURDG-WTGUMLROSA-N 2 1 343.515 3.249 20 0 EGADMP OCc1cc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc[nH+]1 ZINC000858480670 1328775154 /nfs/dbraw/zinc/77/51/54/1328775154.db2.gz ZQVYTSPSAXXDIR-DUXKGJEZSA-N 2 1 337.467 3.287 20 0 EGADMP CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021738649 1318645840 /nfs/dbraw/zinc/64/58/40/1318645840.db2.gz BKZHHBWKWQXXMM-VQTJNVASSA-N 2 1 343.515 3.085 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000960664770 1318781212 /nfs/dbraw/zinc/78/12/12/1318781212.db2.gz LPPUZPRNSXXSMG-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC000960664770 1318781217 /nfs/dbraw/zinc/78/12/17/1318781217.db2.gz LPPUZPRNSXXSMG-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC000960664770 1318781223 /nfs/dbraw/zinc/78/12/23/1318781223.db2.gz LPPUZPRNSXXSMG-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000960664773 1318782261 /nfs/dbraw/zinc/78/22/61/1318782261.db2.gz LPPUZPRNSXXSMG-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC000960664773 1318782266 /nfs/dbraw/zinc/78/22/66/1318782266.db2.gz LPPUZPRNSXXSMG-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC000960664773 1318782274 /nfs/dbraw/zinc/78/22/74/1318782274.db2.gz LPPUZPRNSXXSMG-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022068969 1318786828 /nfs/dbraw/zinc/78/68/28/1318786828.db2.gz DXEJZOFXVPRVCL-CEXWTWQISA-N 2 1 335.536 3.066 20 0 EGADMP CCCOC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814639834 1318790406 /nfs/dbraw/zinc/79/04/06/1318790406.db2.gz GOYDFCSDXNRAEW-GOSISDBHSA-N 2 1 344.499 3.316 20 0 EGADMP CCCOC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814639834 1318790413 /nfs/dbraw/zinc/79/04/13/1318790413.db2.gz GOYDFCSDXNRAEW-GOSISDBHSA-N 2 1 344.499 3.316 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001022077017 1318791978 /nfs/dbraw/zinc/79/19/78/1318791978.db2.gz HSKFJPXMEQBNMV-VNTMZGSJSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC2(CCC2)C1)[NH+](C)C ZINC000960686921 1318793293 /nfs/dbraw/zinc/79/32/93/1318793293.db2.gz JKDAGFFSQPVSGD-OALUTQOASA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001022202278 1318840372 /nfs/dbraw/zinc/84/03/72/1318840372.db2.gz VKZJECGBVZOKPD-RSPOEFSDSA-N 2 1 343.515 3.247 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001022202456 1318841058 /nfs/dbraw/zinc/84/10/58/1318841058.db2.gz ZDXLHNDKJUOTJQ-OTWHNJEPSA-N 2 1 335.536 3.066 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccccc1Cl ZINC001022291370 1318881323 /nfs/dbraw/zinc/88/13/23/1318881323.db2.gz YKHRHIYYNQAUFJ-BSXFFOKHSA-N 2 1 349.906 3.122 20 0 EGADMP CCSc1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000930138467 1328795251 /nfs/dbraw/zinc/79/52/51/1328795251.db2.gz ZZIQASDQOOGPDK-MJGOQNOKSA-N 2 1 347.572 3.256 20 0 EGADMP Cc1ccccc1C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000960862314 1319006403 /nfs/dbraw/zinc/00/64/03/1319006403.db2.gz PSSRIYJPKSTXKB-WOJBJXKFSA-N 2 1 345.531 3.004 20 0 EGADMP C[NH+](C[C@@H]1CCCN1C(=O)C[N@@H+]1CCC(C)(C)C1)CC1CCCCC1 ZINC000960864665 1319011360 /nfs/dbraw/zinc/01/13/60/1319011360.db2.gz OYNDVTQOINFRNR-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@@H]1CCCN1C(=O)C[N@H+]1CCC(C)(C)C1)CC1CCCCC1 ZINC000960864665 1319011365 /nfs/dbraw/zinc/01/13/65/1319011365.db2.gz OYNDVTQOINFRNR-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP Clc1ccccc1C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC000815576411 1319018975 /nfs/dbraw/zinc/01/89/75/1319018975.db2.gz PSFHPXDORHSKLF-SCTDSRPQSA-N 2 1 334.891 3.114 20 0 EGADMP Clc1ccccc1C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC000815576411 1319018983 /nfs/dbraw/zinc/01/89/83/1319018983.db2.gz PSFHPXDORHSKLF-SCTDSRPQSA-N 2 1 334.891 3.114 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1c(C)cccc1C)[NH+](C)C ZINC000960883257 1319021531 /nfs/dbraw/zinc/02/15/31/1319021531.db2.gz PRPZJOFZYUACOU-QUCCMNQESA-N 2 1 345.531 3.066 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC000960942536 1319080154 /nfs/dbraw/zinc/08/01/54/1319080154.db2.gz YSWLEPIDFOPIKN-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)c1 ZINC001022717128 1319080375 /nfs/dbraw/zinc/08/03/75/1319080375.db2.gz QVUVDMUJYCVFGF-QRQLOZEOSA-N 2 1 343.515 3.025 20 0 EGADMP C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001022717075 1319080820 /nfs/dbraw/zinc/08/08/20/1319080820.db2.gz OVGUIRJORUBQCE-ZSYWTGECSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCCC2)CC1 ZINC000960957139 1319087435 /nfs/dbraw/zinc/08/74/35/1319087435.db2.gz GDEFGSSMVKKHPQ-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCC1 ZINC000960975392 1319108752 /nfs/dbraw/zinc/10/87/52/1319108752.db2.gz VLQQPOXTAXAZCY-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1 ZINC000960975392 1319108757 /nfs/dbraw/zinc/10/87/57/1319108757.db2.gz VLQQPOXTAXAZCY-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC000960975392 1319108760 /nfs/dbraw/zinc/10/87/60/1319108760.db2.gz VLQQPOXTAXAZCY-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCC1 ZINC000960975401 1319109301 /nfs/dbraw/zinc/10/93/01/1319109301.db2.gz VLQQPOXTAXAZCY-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC000960975401 1319109305 /nfs/dbraw/zinc/10/93/05/1319109305.db2.gz VLQQPOXTAXAZCY-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC000960975401 1319109309 /nfs/dbraw/zinc/10/93/09/1319109309.db2.gz VLQQPOXTAXAZCY-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@H+](Cc1ccsc1)C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC000961029766 1319152485 /nfs/dbraw/zinc/15/24/85/1319152485.db2.gz YMUIKBQBMAQAJQ-SFHVURJKSA-N 2 1 349.544 3.047 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC000961031741 1319155226 /nfs/dbraw/zinc/15/52/26/1319155226.db2.gz OFDVQZJBDFGWML-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC000961031741 1319155229 /nfs/dbraw/zinc/15/52/29/1319155229.db2.gz OFDVQZJBDFGWML-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000961031741 1319155235 /nfs/dbraw/zinc/15/52/35/1319155235.db2.gz OFDVQZJBDFGWML-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001022957350 1319187257 /nfs/dbraw/zinc/18/72/57/1319187257.db2.gz TZDODFIZAFAIQW-HSALFYBXSA-N 2 1 347.547 3.378 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001023124322 1319273309 /nfs/dbraw/zinc/27/33/09/1319273309.db2.gz FSLUEOCMRDJLLZ-AMBYYYRHSA-N 2 1 347.547 3.066 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001023130919 1319276312 /nfs/dbraw/zinc/27/63/12/1319276312.db2.gz MWUKZBUASYZWBS-HSALFYBXSA-N 2 1 349.563 3.458 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000817285605 1319315483 /nfs/dbraw/zinc/31/54/83/1319315483.db2.gz MIODOYMUZJLHKR-FQEVSTJZSA-N 2 1 341.543 3.208 20 0 EGADMP CC[C@@H]([NH2+]CCc1ccc(Br)cc1F)[C@@H]1CCC[NH2+]1 ZINC000817902379 1319456839 /nfs/dbraw/zinc/45/68/39/1319456839.db2.gz OZGKEZKHNNEKTH-CABCVRRESA-N 2 1 329.257 3.251 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1c[nH+]ccc1N ZINC000817904254 1319457156 /nfs/dbraw/zinc/45/71/56/1319457156.db2.gz AYPXPJFJKMZEHC-VFZGTOFNSA-N 2 1 326.227 3.185 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCCc2cn(C(C)C)nc21 ZINC000817922881 1319462355 /nfs/dbraw/zinc/46/23/55/1319462355.db2.gz NPSBPASETHELJU-KDOFPFPSSA-N 2 1 327.476 3.354 20 0 EGADMP [NH3+]CCc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000817948418 1319473266 /nfs/dbraw/zinc/47/32/66/1319473266.db2.gz JNNQXJDPVAWDIK-NUNAXRQHSA-N 3 1 349.522 3.473 20 0 EGADMP [NH3+]CCc1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000817948418 1319473270 /nfs/dbraw/zinc/47/32/70/1319473270.db2.gz JNNQXJDPVAWDIK-NUNAXRQHSA-N 2 1 349.522 3.473 20 0 EGADMP [NH3+]CCc1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000817948418 1319473274 /nfs/dbraw/zinc/47/32/74/1319473274.db2.gz JNNQXJDPVAWDIK-NUNAXRQHSA-N 2 1 349.522 3.473 20 0 EGADMP [NH3+]CCc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000817948418 1319473278 /nfs/dbraw/zinc/47/32/78/1319473278.db2.gz JNNQXJDPVAWDIK-NUNAXRQHSA-N 2 1 349.522 3.473 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001023365128 1319476261 /nfs/dbraw/zinc/47/62/61/1319476261.db2.gz XOSHJQNUUUQCSU-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023365128 1319476264 /nfs/dbraw/zinc/47/62/64/1319476264.db2.gz XOSHJQNUUUQCSU-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001023365128 1319476273 /nfs/dbraw/zinc/47/62/73/1319476273.db2.gz XOSHJQNUUUQCSU-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023365055 1319476917 /nfs/dbraw/zinc/47/69/17/1319476917.db2.gz VXFWZXKGFJRPAS-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001023365055 1319476923 /nfs/dbraw/zinc/47/69/23/1319476923.db2.gz VXFWZXKGFJRPAS-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001023365055 1319476927 /nfs/dbraw/zinc/47/69/27/1319476927.db2.gz VXFWZXKGFJRPAS-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1C[NH+]1CCCCC1 ZINC000817959469 1319478381 /nfs/dbraw/zinc/47/83/81/1319478381.db2.gz ROOVZZHLEYCKKY-APWZRJJASA-N 3 1 333.520 3.315 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023402919 1319510979 /nfs/dbraw/zinc/51/09/79/1319510979.db2.gz WPVPUZKZQQPBPJ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001023402919 1319510987 /nfs/dbraw/zinc/51/09/87/1319510987.db2.gz WPVPUZKZQQPBPJ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001023402919 1319510993 /nfs/dbraw/zinc/51/09/93/1319510993.db2.gz WPVPUZKZQQPBPJ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023404020 1319513082 /nfs/dbraw/zinc/51/30/82/1319513082.db2.gz PBDNPFIBOBFIJU-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001023404020 1319513092 /nfs/dbraw/zinc/51/30/92/1319513092.db2.gz PBDNPFIBOBFIJU-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001023404020 1319513103 /nfs/dbraw/zinc/51/31/03/1319513103.db2.gz PBDNPFIBOBFIJU-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000961401257 1319557179 /nfs/dbraw/zinc/55/71/79/1319557179.db2.gz CUEKKMWVUKRBRX-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC000961401257 1319557187 /nfs/dbraw/zinc/55/71/87/1319557187.db2.gz CUEKKMWVUKRBRX-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000961401257 1319557198 /nfs/dbraw/zinc/55/71/98/1319557198.db2.gz CUEKKMWVUKRBRX-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+](CCC3CC3)C2)CC1)[NH+](C)C ZINC000961409375 1319565692 /nfs/dbraw/zinc/56/56/92/1319565692.db2.gz CJGPUIVZINIHFF-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000818981764 1319604052 /nfs/dbraw/zinc/60/40/52/1319604052.db2.gz YOKJCNYMGZNQAH-BBRMVZONSA-N 2 1 330.394 3.060 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000818985619 1319605320 /nfs/dbraw/zinc/60/53/20/1319605320.db2.gz UAHLUBHWPMEKMQ-WMLDXEAASA-N 2 1 344.421 3.449 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000818985620 1319605610 /nfs/dbraw/zinc/60/56/10/1319605610.db2.gz UAHLUBHWPMEKMQ-YOEHRIQHSA-N 2 1 344.421 3.449 20 0 EGADMP Cc1ccc(NCCC[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)[nH+]c1 ZINC000819131025 1319643880 /nfs/dbraw/zinc/64/38/80/1319643880.db2.gz XUOSXYDCGRANQO-MRXNPFEDSA-N 2 1 337.826 3.308 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000819151997 1319650190 /nfs/dbraw/zinc/65/01/90/1319650190.db2.gz JTYQALCJQIRVNH-DYVFJYSZSA-N 2 1 328.859 3.080 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001023561022 1319673886 /nfs/dbraw/zinc/67/38/86/1319673886.db2.gz WRXATCXWNQGXSO-INIZCTEOSA-N 2 1 349.519 3.219 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001023695444 1319821978 /nfs/dbraw/zinc/82/19/78/1319821978.db2.gz BASULCWULZYDBP-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001023695444 1319821982 /nfs/dbraw/zinc/82/19/82/1319821982.db2.gz BASULCWULZYDBP-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001023695444 1319821991 /nfs/dbraw/zinc/82/19/91/1319821991.db2.gz BASULCWULZYDBP-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP c1cnn(Cc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)c2)c1 ZINC000820807816 1319957790 /nfs/dbraw/zinc/95/77/90/1319957790.db2.gz RMXUAKFJJYZVIO-VCSGRIEYSA-N 2 1 336.483 3.179 20 0 EGADMP Fc1ccc(N2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)c(F)c1 ZINC000820810044 1319958214 /nfs/dbraw/zinc/95/82/14/1319958214.db2.gz NMJDJGYDHDIIFN-UNPWZGGWSA-N 2 1 347.453 3.291 20 0 EGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000823408836 1320177184 /nfs/dbraw/zinc/17/71/84/1320177184.db2.gz RIUDTGABUASYMY-SJORKVTESA-N 2 1 341.540 3.057 20 0 EGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000823408836 1320177189 /nfs/dbraw/zinc/17/71/89/1320177189.db2.gz RIUDTGABUASYMY-SJORKVTESA-N 2 1 341.540 3.057 20 0 EGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000823408836 1320177192 /nfs/dbraw/zinc/17/71/92/1320177192.db2.gz RIUDTGABUASYMY-SJORKVTESA-N 2 1 341.540 3.057 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2CN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000859155670 1328933521 /nfs/dbraw/zinc/93/35/21/1328933521.db2.gz ODAJWYZMPTTXAE-NVXWUHKLSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)nc1 ZINC000840809727 1321153516 /nfs/dbraw/zinc/15/35/16/1321153516.db2.gz NDRQZHQCENMWFF-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP COc1cccc(OCC[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859212526 1328947143 /nfs/dbraw/zinc/94/71/43/1328947143.db2.gz ORLXLTZOXQRSTO-UHFFFAOYSA-N 2 1 328.456 3.268 20 0 EGADMP C[C@H](NC(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)c1cccs1 ZINC000859215809 1328949443 /nfs/dbraw/zinc/94/94/43/1328949443.db2.gz SLPWIGOBZZPPCG-HNNXBMFYSA-N 2 1 345.512 3.119 20 0 EGADMP C[C@H](NC(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)c1cccs1 ZINC000859215809 1328949447 /nfs/dbraw/zinc/94/94/47/1328949447.db2.gz SLPWIGOBZZPPCG-HNNXBMFYSA-N 2 1 345.512 3.119 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c2cc1C ZINC000842474218 1321393055 /nfs/dbraw/zinc/39/30/55/1321393055.db2.gz KIRYPKFPHUDFNJ-QFBILLFUSA-N 2 1 340.467 3.374 20 0 EGADMP C[N@@H+](Cc1csc(COc2ccccc2)n1)C1CCC([NH3+])CC1 ZINC000843055981 1321463000 /nfs/dbraw/zinc/46/30/00/1321463000.db2.gz ULSPASWYSLSJDB-UHFFFAOYSA-N 2 1 331.485 3.424 20 0 EGADMP CC[NH+](CC)[C@@H](c1nc(CC2CC[NH2+]CC2)no1)c1ccccc1 ZINC000843135688 1321475671 /nfs/dbraw/zinc/47/56/71/1321475671.db2.gz BIKUGPGNQXPWRH-GOSISDBHSA-N 2 1 328.460 3.043 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1-c1noc([C@@H](C)[NH2+]C2CC2)n1 ZINC000843200701 1321486863 /nfs/dbraw/zinc/48/68/63/1321486863.db2.gz QNRRTXFLLZSXHE-CQSZACIVSA-N 2 1 344.459 3.270 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000843354786 1321505085 /nfs/dbraw/zinc/50/50/85/1321505085.db2.gz NPBAAYXBMMRAEZ-SFHVURJKSA-N 2 1 328.456 3.087 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000843354786 1321505090 /nfs/dbraw/zinc/50/50/90/1321505090.db2.gz NPBAAYXBMMRAEZ-SFHVURJKSA-N 2 1 328.456 3.087 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000846218409 1321777599 /nfs/dbraw/zinc/77/75/99/1321777599.db2.gz NNXQKTXVJJTMBM-UHFFFAOYSA-N 2 1 337.895 3.007 20 0 EGADMP COC(=O)/C=C\c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC000848895951 1322036344 /nfs/dbraw/zinc/03/63/44/1322036344.db2.gz ZHCPNQMAZQLYJQ-ZBTGYSDGSA-N 2 1 334.460 3.068 20 0 EGADMP C[C@@H]1C[C@H](CCNC(=[NH2+])NC2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000848989172 1322056766 /nfs/dbraw/zinc/05/67/66/1322056766.db2.gz CSLRHPFBGAQMNW-AEFFLSMTSA-N 2 1 328.504 3.344 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC2CCCC2)cc1 ZINC000849002429 1322057813 /nfs/dbraw/zinc/05/78/13/1322057813.db2.gz FEDKYWGUXGLZDF-QGZVFWFLSA-N 2 1 344.503 3.106 20 0 EGADMP C[C@H]1CCCN(C(=[NH2+])NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000849075786 1322067957 /nfs/dbraw/zinc/06/79/57/1322067957.db2.gz LJSVGVHIIMYNEG-PXNSSMCTSA-N 2 1 328.504 3.155 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000850035927 1322186714 /nfs/dbraw/zinc/18/67/14/1322186714.db2.gz GAYRNXNMLLIVKI-IBGZPJMESA-N 2 1 332.488 3.207 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)C2 ZINC000922387374 1322514857 /nfs/dbraw/zinc/51/48/57/1322514857.db2.gz KHWUVYXBVGSELB-BDXSIMOUSA-N 2 1 340.870 3.048 20 0 EGADMP OCCC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCc2ccccc21 ZINC000923315280 1322732559 /nfs/dbraw/zinc/73/25/59/1322732559.db2.gz FKPFUSUVJSPREH-VZKPYBMVSA-N 2 1 328.500 3.279 20 0 EGADMP [NH3+]C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F)C1CCCCC1 ZINC000923375205 1322741967 /nfs/dbraw/zinc/74/19/67/1322741967.db2.gz ZNXIWUHAUKCUHJ-RDJZCZTQSA-N 2 1 344.421 3.106 20 0 EGADMP C[C@H]1CC2(C[N@H+]1C[C@@H](O)Cc1ccc3ccccc3c1)CC[NH2+]CC2 ZINC000923384029 1322743742 /nfs/dbraw/zinc/74/37/42/1322743742.db2.gz QTSRIVFWFSLIOR-UWJYYQICSA-N 2 1 338.495 3.207 20 0 EGADMP [NH3+]CC[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000923487988 1322760964 /nfs/dbraw/zinc/76/09/64/1322760964.db2.gz OUUOTGGQUNFDBT-KRWDZBQOSA-N 2 1 337.467 3.353 20 0 EGADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@H]1CCOC12CCCCC2 ZINC000924573294 1323059808 /nfs/dbraw/zinc/05/98/08/1323059808.db2.gz HKBLENJWGUTIFG-FQEVSTJZSA-N 2 1 344.499 3.100 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000851738707 1323077876 /nfs/dbraw/zinc/07/78/76/1323077876.db2.gz PFARACGPBBXHTP-GOSISDBHSA-N 2 1 329.488 3.048 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000851738707 1323077882 /nfs/dbraw/zinc/07/78/82/1323077882.db2.gz PFARACGPBBXHTP-GOSISDBHSA-N 2 1 329.488 3.048 20 0 EGADMP C[C@H](C[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC000924661757 1323100304 /nfs/dbraw/zinc/10/03/04/1323100304.db2.gz RBGIJBWRDAELQM-NUWOQIAWSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@H](C[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC000924661757 1323100307 /nfs/dbraw/zinc/10/03/07/1323100307.db2.gz RBGIJBWRDAELQM-NUWOQIAWSA-N 2 1 339.524 3.142 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC3CCCC3)C2)C1 ZINC001024119375 1323149412 /nfs/dbraw/zinc/14/94/12/1323149412.db2.gz YLHWHZFEKHXRAF-VQTJNVASSA-N 2 1 349.563 3.127 20 0 EGADMP OCCCSCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924980691 1323236876 /nfs/dbraw/zinc/23/68/76/1323236876.db2.gz RLFQJOHVCYFPNL-IHWFROFDSA-N 2 1 348.556 3.277 20 0 EGADMP ClC(Cl)=CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000852762605 1323238679 /nfs/dbraw/zinc/23/86/79/1323238679.db2.gz QFBMFFUDJRVWRA-UHFFFAOYSA-N 2 1 343.302 3.375 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc3c2OCO3)[C@H](C)C1 ZINC000925077389 1323269346 /nfs/dbraw/zinc/26/93/46/1323269346.db2.gz GZBDCHFXBVRKRI-NUJGCVRESA-N 2 1 348.487 3.203 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc3c2OCO3)[C@H](C)C1 ZINC000925077389 1323269356 /nfs/dbraw/zinc/26/93/56/1323269356.db2.gz GZBDCHFXBVRKRI-NUJGCVRESA-N 2 1 348.487 3.203 20 0 EGADMP CCOCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000853093747 1323277483 /nfs/dbraw/zinc/27/74/83/1323277483.db2.gz QPLFSZBSLKJMQO-IBGZPJMESA-N 2 1 332.488 3.271 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCCC1 ZINC001024366602 1323341266 /nfs/dbraw/zinc/34/12/66/1323341266.db2.gz TXXLGKYGCMINAB-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCCC1 ZINC001024366602 1323341270 /nfs/dbraw/zinc/34/12/70/1323341270.db2.gz TXXLGKYGCMINAB-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCCC1 ZINC001024366602 1323341276 /nfs/dbraw/zinc/34/12/76/1323341276.db2.gz TXXLGKYGCMINAB-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024436879 1323395866 /nfs/dbraw/zinc/39/58/66/1323395866.db2.gz JIXNFMAETFKUSO-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001024436879 1323395870 /nfs/dbraw/zinc/39/58/70/1323395870.db2.gz JIXNFMAETFKUSO-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001024436879 1323395876 /nfs/dbraw/zinc/39/58/76/1323395876.db2.gz JIXNFMAETFKUSO-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCC1 ZINC001024460525 1323415620 /nfs/dbraw/zinc/41/56/20/1323415620.db2.gz CJSOWOQBZVLNEJ-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCC1 ZINC001024460525 1323415612 /nfs/dbraw/zinc/41/56/12/1323415612.db2.gz CJSOWOQBZVLNEJ-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024468638 1323423317 /nfs/dbraw/zinc/42/33/17/1323423317.db2.gz LYQGYGPGNCIWJI-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001024468638 1323423321 /nfs/dbraw/zinc/42/33/21/1323423321.db2.gz LYQGYGPGNCIWJI-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001024468638 1323423329 /nfs/dbraw/zinc/42/33/29/1323423329.db2.gz LYQGYGPGNCIWJI-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP O=C(NC[C@@H]1CCCC[N@H+]1CCC1CC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479771 1323432358 /nfs/dbraw/zinc/43/23/58/1323432358.db2.gz PHDXLJAQGZDTMP-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCCC[NH+]1CCC1CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479771 1323432361 /nfs/dbraw/zinc/43/23/61/1323432361.db2.gz PHDXLJAQGZDTMP-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCCC[NH+]1CCC1CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479771 1323432366 /nfs/dbraw/zinc/43/23/66/1323432366.db2.gz PHDXLJAQGZDTMP-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479216 1323432771 /nfs/dbraw/zinc/43/27/71/1323432771.db2.gz BZQSQKSAXOIFPE-SJORKVTESA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479216 1323432779 /nfs/dbraw/zinc/43/27/79/1323432779.db2.gz BZQSQKSAXOIFPE-SJORKVTESA-N 2 1 346.519 3.167 20 0 EGADMP Cc1c(C(=O)NC[C@@H]2CCCC[N@H+]2CCC2CC2)ccc2c[nH+]cn21 ZINC001024520173 1323468425 /nfs/dbraw/zinc/46/84/25/1323468425.db2.gz FEUMHOWQKDIOBC-KRWDZBQOSA-N 2 1 340.471 3.027 20 0 EGADMP CC1(C)CC(C[N@H+]2CCCC[C@H]2CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001024530608 1323475914 /nfs/dbraw/zinc/47/59/14/1323475914.db2.gz HDXWUGKZIMOBRP-SFHVURJKSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H](F)CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711197 1323618691 /nfs/dbraw/zinc/61/86/91/1323618691.db2.gz IAFMKJQRTRNQMQ-LPHOPBHVSA-N 2 1 349.494 3.081 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001024761541 1323662807 /nfs/dbraw/zinc/66/28/07/1323662807.db2.gz IRKSUNLSJWAGOS-INIZCTEOSA-N 2 1 346.519 3.168 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CCCC[N@H+]1CCC(C)(C)C ZINC001024761541 1323662814 /nfs/dbraw/zinc/66/28/14/1323662814.db2.gz IRKSUNLSJWAGOS-INIZCTEOSA-N 2 1 346.519 3.168 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024812711 1323715494 /nfs/dbraw/zinc/71/54/94/1323715494.db2.gz ROCXXCAWOAWYPS-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC001024812711 1323715497 /nfs/dbraw/zinc/71/54/97/1323715497.db2.gz ROCXXCAWOAWYPS-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccsc1 ZINC001024812711 1323715502 /nfs/dbraw/zinc/71/55/02/1323715502.db2.gz ROCXXCAWOAWYPS-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1 ZINC001024813340 1323716725 /nfs/dbraw/zinc/71/67/25/1323716725.db2.gz ZLZLTKPOMVLAGJ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024813340 1323716727 /nfs/dbraw/zinc/71/67/27/1323716727.db2.gz ZLZLTKPOMVLAGJ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024813340 1323716730 /nfs/dbraw/zinc/71/67/30/1323716730.db2.gz ZLZLTKPOMVLAGJ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)o1 ZINC001024820245 1323726012 /nfs/dbraw/zinc/72/60/12/1323726012.db2.gz XFYSBZMWMGQMEA-QGZVFWFLSA-N 2 1 349.519 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001024984893 1323813869 /nfs/dbraw/zinc/81/38/69/1323813869.db2.gz JRWBFTLPEOWECB-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001025105501 1323897894 /nfs/dbraw/zinc/89/78/94/1323897894.db2.gz WHPAGSOWVNSMTA-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025257815 1324064553 /nfs/dbraw/zinc/06/45/53/1324064553.db2.gz ACVQMFZCIDXFFY-UXHICEINSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001025286287 1324107381 /nfs/dbraw/zinc/10/73/81/1324107381.db2.gz IOUYTZIZVLIYNB-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC001025295674 1324126764 /nfs/dbraw/zinc/12/67/64/1324126764.db2.gz QAJGRPSYOYHGGN-VQTJNVASSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514788 1324360597 /nfs/dbraw/zinc/36/05/97/1324360597.db2.gz FVYURBBIZNOVRS-DLBZAZTESA-N 2 1 349.519 3.218 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025527030 1324371153 /nfs/dbraw/zinc/37/11/53/1324371153.db2.gz DEJZFMBCXMPWME-FXAWDEMLSA-N 2 1 345.531 3.031 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC001026464917 1324825221 /nfs/dbraw/zinc/82/52/21/1324825221.db2.gz AWMSRIHITUJADT-MHJFOBGBSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001026561414 1324896473 /nfs/dbraw/zinc/89/64/73/1324896473.db2.gz ZVBVWJGLBPHNQE-QHGAOEGBSA-N 2 1 347.547 3.378 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cn1 ZINC000925484002 1325171572 /nfs/dbraw/zinc/17/15/72/1325171572.db2.gz BIWPSFIVZHRRIY-LJQANCHMSA-N 3 1 335.455 3.146 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cc1 ZINC000925504178 1325180586 /nfs/dbraw/zinc/18/05/86/1325180586.db2.gz KWBJATKMAJNTDY-ACRUOGEOSA-N 2 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cc1 ZINC000925504178 1325180597 /nfs/dbraw/zinc/18/05/97/1325180597.db2.gz KWBJATKMAJNTDY-ACRUOGEOSA-N 2 1 327.516 3.019 20 0 EGADMP c1ccc(C[NH+]2CCC(CN[C@H]3CC[NH2+]C34CCCC4)CC2)cc1 ZINC000925564906 1325212060 /nfs/dbraw/zinc/21/20/60/1325212060.db2.gz MUTSYDFCZWHHRD-FQEVSTJZSA-N 2 1 327.516 3.163 20 0 EGADMP O=C(C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)Nc1ccc(Cl)cc1 ZINC000925571665 1325215880 /nfs/dbraw/zinc/21/58/80/1325215880.db2.gz FRSVUQSAQNRVBK-DLBZAZTESA-N 2 1 335.879 3.036 20 0 EGADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c(N2CCCC2)n1 ZINC000925610998 1325229784 /nfs/dbraw/zinc/22/97/84/1325229784.db2.gz KIZORTWJRAHSIR-UXHICEINSA-N 2 1 342.531 3.248 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cc(CO)on1 ZINC000925614777 1325231239 /nfs/dbraw/zinc/23/12/39/1325231239.db2.gz KOYXOWQIBNHADE-XYJFISCASA-N 2 1 343.471 3.118 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c2ncnn21 ZINC000925616061 1325231764 /nfs/dbraw/zinc/23/17/64/1325231764.db2.gz QAYBOIKILCVYJU-FPAYPSAMSA-N 2 1 339.487 3.174 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC000963444241 1325250379 /nfs/dbraw/zinc/25/03/79/1325250379.db2.gz VRLLYJUIZIDMCA-RTBURBONSA-N 2 1 346.519 3.022 20 0 EGADMP CCc1noc([C@@H]2CC[C@H]([NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)n1 ZINC000925874079 1325339015 /nfs/dbraw/zinc/33/90/15/1325339015.db2.gz UWAPYQURTRYSKJ-OWSLCNJRSA-N 2 1 340.471 3.351 20 0 EGADMP OCCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926326342 1325517261 /nfs/dbraw/zinc/51/72/61/1325517261.db2.gz PRHHHILDYCRRSO-QHAWAJNXSA-N 2 1 330.516 3.429 20 0 EGADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)NCC[NH+]3CCCCCC3)c2)C1 ZINC000856926353 1325540969 /nfs/dbraw/zinc/54/09/69/1325540969.db2.gz BWFKOWJHHBGWED-FQEVSTJZSA-N 2 1 343.515 3.102 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCCC2)C1 ZINC001027408244 1327634486 /nfs/dbraw/zinc/63/44/86/1327634486.db2.gz LVKDLNONVNWRJQ-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027408244 1327634493 /nfs/dbraw/zinc/63/44/93/1327634493.db2.gz LVKDLNONVNWRJQ-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027408244 1327634505 /nfs/dbraw/zinc/63/45/05/1327634505.db2.gz LVKDLNONVNWRJQ-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CCc1cccc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)c1 ZINC001027460372 1327705655 /nfs/dbraw/zinc/70/56/55/1327705655.db2.gz JGAIMPVVKMUFKN-WOJBJXKFSA-N 2 1 345.531 3.012 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([N@H+](C)CCC2CCCCC2)C1 ZINC001027493445 1327753731 /nfs/dbraw/zinc/75/37/31/1327753731.db2.gz GLQDSFUOYSAEOW-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC001027493445 1327753735 /nfs/dbraw/zinc/75/37/35/1327753735.db2.gz GLQDSFUOYSAEOW-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH+](C)CCC2CCCCC2)C1 ZINC001027576763 1327914734 /nfs/dbraw/zinc/91/47/34/1327914734.db2.gz WHFGWXVRASZJJM-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]([N@H+](C)CCC2CCCCC2)C1 ZINC001027576763 1327914742 /nfs/dbraw/zinc/91/47/42/1327914742.db2.gz WHFGWXVRASZJJM-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC001027576763 1327914749 /nfs/dbraw/zinc/91/47/49/1327914749.db2.gz WHFGWXVRASZJJM-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCc1ccccc1C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001027581926 1327917343 /nfs/dbraw/zinc/91/73/43/1327917343.db2.gz IHCQWIVMVUIKAR-UXHICEINSA-N 2 1 345.531 3.012 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCC2)C1 ZINC001027647248 1328026824 /nfs/dbraw/zinc/02/68/24/1328026824.db2.gz MDRYQMYUWUDIIT-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1 ZINC001027647248 1328026833 /nfs/dbraw/zinc/02/68/33/1328026833.db2.gz MDRYQMYUWUDIIT-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC001027647248 1328026838 /nfs/dbraw/zinc/02/68/38/1328026838.db2.gz MDRYQMYUWUDIIT-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027651143 1328033544 /nfs/dbraw/zinc/03/35/44/1328033544.db2.gz LPCOIVIHYXGJSM-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001027651143 1328033549 /nfs/dbraw/zinc/03/35/49/1328033549.db2.gz LPCOIVIHYXGJSM-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027651143 1328033557 /nfs/dbraw/zinc/03/35/57/1328033557.db2.gz LPCOIVIHYXGJSM-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H](C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000928012312 1328172286 /nfs/dbraw/zinc/17/22/86/1328172286.db2.gz WOMNEBSPWHTMQO-LRVNENBYSA-N 2 1 335.536 3.161 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCCC1 ZINC001027795576 1328231642 /nfs/dbraw/zinc/23/16/42/1328231642.db2.gz XPTAWFKDTMVMNU-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCCCC1 ZINC001027795576 1328231647 /nfs/dbraw/zinc/23/16/47/1328231647.db2.gz XPTAWFKDTMVMNU-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCCCC1 ZINC001027795576 1328231657 /nfs/dbraw/zinc/23/16/57/1328231657.db2.gz XPTAWFKDTMVMNU-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027918443 1328396281 /nfs/dbraw/zinc/39/62/81/1328396281.db2.gz NPNUVZMAANHHRT-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC001027918443 1328396289 /nfs/dbraw/zinc/39/62/89/1328396289.db2.gz NPNUVZMAANHHRT-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCCC1 ZINC001027918443 1328396296 /nfs/dbraw/zinc/39/62/96/1328396296.db2.gz NPNUVZMAANHHRT-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCCC2CCC2)C1 ZINC001027924043 1328403300 /nfs/dbraw/zinc/40/33/00/1328403300.db2.gz CILZUNADAHTQQK-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCCC2CCC2)C1 ZINC001027924043 1328403303 /nfs/dbraw/zinc/40/33/03/1328403303.db2.gz CILZUNADAHTQQK-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCCC2CCC2)C1 ZINC001027924043 1328403307 /nfs/dbraw/zinc/40/33/07/1328403307.db2.gz CILZUNADAHTQQK-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccn2c[nH+]cc2c1 ZINC001028002703 1328464770 /nfs/dbraw/zinc/46/47/70/1328464770.db2.gz GKDBSXKUEHGYPC-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029514 1328492442 /nfs/dbraw/zinc/49/24/42/1328492442.db2.gz GKDYZSVFSSDJIN-OXQOHEQNSA-N 2 1 348.450 3.290 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049760662 1348005887 /nfs/dbraw/zinc/00/58/87/1348005887.db2.gz APBDAYFUPLDSKD-XUVXKRRUSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049760661 1348006078 /nfs/dbraw/zinc/00/60/78/1348006078.db2.gz APBDAYFUPLDSKD-VAMGGRTRSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](CN2C[C@@H](c3ccccc3)OC2=O)CC1 ZINC000863261134 1329540880 /nfs/dbraw/zinc/54/08/80/1329540880.db2.gz YLCKMSCFUVWALW-IBGZPJMESA-N 2 1 345.487 3.190 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C[C@@H](c3ccccc3)OC2=O)CC1 ZINC000863261134 1329540881 /nfs/dbraw/zinc/54/08/81/1329540881.db2.gz YLCKMSCFUVWALW-IBGZPJMESA-N 2 1 345.487 3.190 20 0 EGADMP COc1cccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1F ZINC000863540853 1329561796 /nfs/dbraw/zinc/56/17/96/1329561796.db2.gz DXHGKGUKFLTQOE-OXJNMPFZSA-N 2 1 342.414 3.180 20 0 EGADMP C[C@H](O)c1ncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000865660950 1329726490 /nfs/dbraw/zinc/72/64/90/1329726490.db2.gz UFUGWIMFODJIEZ-HLLBOEOZSA-N 2 1 345.512 3.054 20 0 EGADMP C[C@H](O)c1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000865660950 1329726492 /nfs/dbraw/zinc/72/64/92/1329726492.db2.gz UFUGWIMFODJIEZ-HLLBOEOZSA-N 2 1 345.512 3.054 20 0 EGADMP CC1=C(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CC[N@@H+]1C(C)C ZINC000933276016 1329877343 /nfs/dbraw/zinc/87/73/43/1329877343.db2.gz OEZIVXJDGPZQRY-UHFFFAOYSA-N 2 1 345.487 3.262 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccn1 ZINC000866307077 1330093955 /nfs/dbraw/zinc/09/39/55/1330093955.db2.gz QEHRCPFEKDVBJO-UFYCRDLUSA-N 2 1 331.504 3.136 20 0 EGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n(C)n1 ZINC000866412193 1330108420 /nfs/dbraw/zinc/10/84/20/1330108420.db2.gz BEOQSBLVLMCJLJ-IEZWGBDMSA-N 2 1 326.488 3.147 20 0 EGADMP Cc1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n(C)n1 ZINC000866412193 1330108423 /nfs/dbraw/zinc/10/84/23/1330108423.db2.gz BEOQSBLVLMCJLJ-IEZWGBDMSA-N 2 1 326.488 3.147 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000936055898 1330110926 /nfs/dbraw/zinc/11/09/26/1330110926.db2.gz AVVJZQITRFXBSJ-MRXNPFEDSA-N 2 1 335.492 3.116 20 0 EGADMP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])co1 ZINC000866667126 1330139695 /nfs/dbraw/zinc/13/96/95/1330139695.db2.gz BHXBUPCMBANFLS-PBHICJAKSA-N 2 1 329.444 3.300 20 0 EGADMP COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])co1 ZINC000866667126 1330139698 /nfs/dbraw/zinc/13/96/98/1330139698.db2.gz BHXBUPCMBANFLS-PBHICJAKSA-N 2 1 329.444 3.300 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCC1CCCCC1 ZINC000939137723 1330384287 /nfs/dbraw/zinc/38/42/87/1330384287.db2.gz MIBAVUZZWLKVSL-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCC2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256335 1331890230 /nfs/dbraw/zinc/89/02/30/1331890230.db2.gz DMBRKJFEYQRWPQ-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597021 1331995789 /nfs/dbraw/zinc/99/57/89/1331995789.db2.gz HXSAMRBSQNAGGT-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[N@@H+](CCC2CCCC2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942822492 1332042669 /nfs/dbraw/zinc/04/26/69/1332042669.db2.gz LRDKINLRNXYKDG-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[NH+](CCC2CCCC2)CC[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942822492 1332042671 /nfs/dbraw/zinc/04/26/71/1332042671.db2.gz LRDKINLRNXYKDG-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[NH+](CCC2CCCC2)CC[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942822492 1332042673 /nfs/dbraw/zinc/04/26/73/1332042673.db2.gz LRDKINLRNXYKDG-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCC2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943287075 1332138467 /nfs/dbraw/zinc/13/84/67/1332138467.db2.gz HSGKVDNGVMJOAH-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCC2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943290422 1332139765 /nfs/dbraw/zinc/13/97/65/1332139765.db2.gz XIURFBGWDSLERC-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[N@@H+](CC2=CCCCC2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943331992 1332150736 /nfs/dbraw/zinc/15/07/36/1332150736.db2.gz BEIFMBZMSUJRCY-PXNSSMCTSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943516772 1332192011 /nfs/dbraw/zinc/19/20/11/1332192011.db2.gz MTGNDOPRVDESJQ-FXAWDEMLSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808129 1332904577 /nfs/dbraw/zinc/90/45/77/1332904577.db2.gz JXJLPLBCSVHXAT-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947722001 1333240779 /nfs/dbraw/zinc/24/07/79/1333240779.db2.gz CRBSAJZATDGOAS-FXAWDEMLSA-N 2 1 345.531 3.174 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CCC1CCCC1 ZINC000947726604 1333241978 /nfs/dbraw/zinc/24/19/78/1333241978.db2.gz RFHFKBZQBXYMBH-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CCC1CCCC1 ZINC000947726604 1333241979 /nfs/dbraw/zinc/24/19/79/1333241979.db2.gz RFHFKBZQBXYMBH-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CCC1CCCC1 ZINC000947726604 1333241982 /nfs/dbraw/zinc/24/19/82/1333241982.db2.gz RFHFKBZQBXYMBH-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC1CC(C)(C)C1 ZINC000947775519 1333257800 /nfs/dbraw/zinc/25/78/00/1333257800.db2.gz OJMKAXWKDXSVTH-VQIMIIECSA-N 2 1 349.563 3.124 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CC3CCCCC3)[C@@H](C)C2)CC1 ZINC000947851864 1333280234 /nfs/dbraw/zinc/28/02/34/1333280234.db2.gz BIPLKEOALWLFSY-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948067112 1333362390 /nfs/dbraw/zinc/36/23/90/1333362390.db2.gz UCOBJUMYVLVGLF-AEFFLSMTSA-N 2 1 331.504 3.131 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC3CCC3)CC2)C1 ZINC000948435699 1333523610 /nfs/dbraw/zinc/52/36/10/1333523610.db2.gz NZGWNQSDSLBJCW-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](CC3CCC3)CC2)C1 ZINC000948435699 1333523612 /nfs/dbraw/zinc/52/36/12/1333523612.db2.gz NZGWNQSDSLBJCW-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CC3CCC3)CC2)C1 ZINC000948435699 1333523617 /nfs/dbraw/zinc/52/36/17/1333523617.db2.gz NZGWNQSDSLBJCW-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000948755741 1333663561 /nfs/dbraw/zinc/66/35/61/1333663561.db2.gz KFDPVFRCRMXOTK-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948832782 1333702545 /nfs/dbraw/zinc/70/25/45/1333702545.db2.gz ANZYHDXDRBTCQE-PKOBYXMFSA-N 2 1 337.552 3.077 20 0 EGADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948833479 1333703417 /nfs/dbraw/zinc/70/34/17/1333703417.db2.gz UXLLJWVJZQWZPR-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000949042496 1333769577 /nfs/dbraw/zinc/76/95/77/1333769577.db2.gz JXYZCJNMIAIWSY-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1C[NH+](CC2CCCCCC2)C1 ZINC000950063535 1334005964 /nfs/dbraw/zinc/00/59/64/1334005964.db2.gz LDBHOJDNXIUAPQ-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)c1 ZINC000950088631 1334012440 /nfs/dbraw/zinc/01/24/40/1334012440.db2.gz JUFGQILRAKXAKP-UYAOXDASSA-N 2 1 345.531 3.095 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+](CC3CCC(C)CC3)C2)CC[N@H+]1C ZINC000950367938 1334051693 /nfs/dbraw/zinc/05/16/93/1334051693.db2.gz STDBGKSBCUFLKR-ZYKFHVCXSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)C2C[NH+](CC3=CCCCC3)C2)C1 ZINC000951361360 1334230594 /nfs/dbraw/zinc/23/05/94/1334230594.db2.gz BBLWGQSOMMUYPB-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC)C2C[NH+](CC3=CCCCC3)C2)C1 ZINC000951361360 1334230598 /nfs/dbraw/zinc/23/05/98/1334230598.db2.gz BBLWGQSOMMUYPB-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)C2C[NH+](CC3=CCCCC3)C2)C1 ZINC000951361359 1334230843 /nfs/dbraw/zinc/23/08/43/1334230843.db2.gz BBLWGQSOMMUYPB-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC)C2C[NH+](CC3=CCCCC3)C2)C1 ZINC000951361359 1334230845 /nfs/dbraw/zinc/23/08/45/1334230845.db2.gz BBLWGQSOMMUYPB-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000967708525 1335805724 /nfs/dbraw/zinc/80/57/24/1335805724.db2.gz SRDIHFRHICXRPS-WMZOPIPTSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327991 1335891290 /nfs/dbraw/zinc/89/12/90/1335891290.db2.gz VRGXALJNCYYMCT-FXAWDEMLSA-N 2 1 345.531 3.031 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCC3CCCC3)CC[C@H]2C)CC1 ZINC000968458756 1335931727 /nfs/dbraw/zinc/93/17/27/1335931727.db2.gz DUFSYMABUQGJKI-UYAOXDASSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[N@H+](CCC(C)(C)C)C[C@@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000968554892 1335960614 /nfs/dbraw/zinc/96/06/14/1335960614.db2.gz YIEYTMSHCJYCCQ-RDJZCZTQSA-N 2 1 346.519 3.024 20 0 EGADMP C[C@H]1CC[N@@H+](CCC(C)(C)C)C[C@@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000968554892 1335960616 /nfs/dbraw/zinc/96/06/16/1335960616.db2.gz YIEYTMSHCJYCCQ-RDJZCZTQSA-N 2 1 346.519 3.024 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000968645347 1335994883 /nfs/dbraw/zinc/99/48/83/1335994883.db2.gz WXYXDVQGGRMNLR-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968673824 1336004900 /nfs/dbraw/zinc/00/49/00/1336004900.db2.gz MNFIIEAEZDVMCL-XLIONFOSSA-N 2 1 343.515 3.155 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CC2(CCC2)C1 ZINC000968782734 1336048929 /nfs/dbraw/zinc/04/89/29/1336048929.db2.gz ZBWTVURKQKKCQO-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CC2(CCC2)C1 ZINC000968782734 1336048933 /nfs/dbraw/zinc/04/89/33/1336048933.db2.gz ZBWTVURKQKKCQO-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CC2(CCC2)C1 ZINC000968782734 1336048936 /nfs/dbraw/zinc/04/89/36/1336048936.db2.gz ZBWTVURKQKKCQO-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC2CCCCC2)CC[N@H+]1C ZINC000968864173 1336072333 /nfs/dbraw/zinc/07/23/33/1336072333.db2.gz RFECUDPCASCXOC-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC2CCCCC2)CC[NH+]1C ZINC000968864173 1336072335 /nfs/dbraw/zinc/07/23/35/1336072335.db2.gz RFECUDPCASCXOC-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC2CCCCC2)CC[NH+]1C ZINC000968864173 1336072338 /nfs/dbraw/zinc/07/23/38/1336072338.db2.gz RFECUDPCASCXOC-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000968915019 1336087582 /nfs/dbraw/zinc/08/75/82/1336087582.db2.gz ABFXRJSWIBJMBF-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP O=C(NC[C@@H]1CCCCC[N@H+]1CC1CCCC1)C12CCC[NH+]1CCC2 ZINC000968934442 1336095445 /nfs/dbraw/zinc/09/54/45/1336095445.db2.gz XEUBXBJBNGCEPV-IBGZPJMESA-N 2 1 347.547 3.166 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936898 1336096169 /nfs/dbraw/zinc/09/61/69/1336096169.db2.gz UNEUAAIMPJVLLV-IAGOWNOFSA-N 2 1 346.450 3.057 20 0 EGADMP CC(C)=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936948 1336096387 /nfs/dbraw/zinc/09/63/87/1336096387.db2.gz VQWRWBQOABDYBQ-SFHVURJKSA-N 2 1 340.471 3.275 20 0 EGADMP CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005642 1336116289 /nfs/dbraw/zinc/11/62/89/1336116289.db2.gz ZBKNHRDTTSLBNF-QGZVFWFLSA-N 2 1 335.492 3.116 20 0 EGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC000969005642 1336116291 /nfs/dbraw/zinc/11/62/91/1336116291.db2.gz ZBKNHRDTTSLBNF-QGZVFWFLSA-N 2 1 335.492 3.116 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969059808 1336133818 /nfs/dbraw/zinc/13/38/18/1336133818.db2.gz RRBMHMGWCIHBSY-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000969059808 1336133820 /nfs/dbraw/zinc/13/38/20/1336133820.db2.gz RRBMHMGWCIHBSY-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000969059808 1336133821 /nfs/dbraw/zinc/13/38/21/1336133821.db2.gz RRBMHMGWCIHBSY-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969100783 1336142790 /nfs/dbraw/zinc/14/27/90/1336142790.db2.gz HXNMEAXQUUMHLV-LJQANCHMSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CCC2CC2)CC1 ZINC000969100900 1336143594 /nfs/dbraw/zinc/14/35/94/1336143594.db2.gz LLIVWSVJIYQFHY-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC000969674319 1336235924 /nfs/dbraw/zinc/23/59/24/1336235924.db2.gz IHXRDDFEOVHUMU-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cc(Cl)cnc2Br)CC[C@H]1C[NH3+] ZINC001205639496 1370823206 /nfs/dbraw/zinc/82/32/06/1370823206.db2.gz ZNEKZJSFGLGTIP-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)cnc2Br)CC[C@H]1C[NH3+] ZINC001205639496 1370823211 /nfs/dbraw/zinc/82/32/11/1370823211.db2.gz ZNEKZJSFGLGTIP-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001005872540 1336413660 /nfs/dbraw/zinc/41/36/60/1336413660.db2.gz BXGBFDJILRLYDB-IBGZPJMESA-N 2 1 335.536 3.115 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001005993392 1336435368 /nfs/dbraw/zinc/43/53/68/1336435368.db2.gz ANVRLCQQGSZDNW-SFHVURJKSA-N 2 1 347.547 3.284 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001006443389 1336506804 /nfs/dbraw/zinc/50/68/04/1336506804.db2.gz CJAXJSUVJBGJHW-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2cc(Br)ccc2[nH]1 ZINC001205901788 1370904787 /nfs/dbraw/zinc/90/47/87/1370904787.db2.gz GGXQUMHPMGPKQY-RYUDHWBXSA-N 2 1 336.277 3.490 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007458336 1336651089 /nfs/dbraw/zinc/65/10/89/1336651089.db2.gz WFISSIARJNAFAW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001007458336 1336651091 /nfs/dbraw/zinc/65/10/91/1336651091.db2.gz WFISSIARJNAFAW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001007749000 1336694346 /nfs/dbraw/zinc/69/43/46/1336694346.db2.gz TVYOQUCECLGWQL-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001007749000 1336694347 /nfs/dbraw/zinc/69/43/47/1336694347.db2.gz TVYOQUCECLGWQL-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001007749000 1336694353 /nfs/dbraw/zinc/69/43/53/1336694353.db2.gz TVYOQUCECLGWQL-WOJBJXKFSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc(Br)ccc2F)CCC[C@@H]1C[NH3+] ZINC001205994026 1370933458 /nfs/dbraw/zinc/93/34/58/1370933458.db2.gz ITVUVBRJPMGAOT-NWDGAFQWSA-N 2 1 329.257 3.395 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008401886 1336843049 /nfs/dbraw/zinc/84/30/49/1336843049.db2.gz XSMKNPKBMRGYSB-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001008725389 1336917554 /nfs/dbraw/zinc/91/75/54/1336917554.db2.gz FOZQATRULHQRRM-GOSISDBHSA-N 2 1 344.503 3.088 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001008725389 1336917557 /nfs/dbraw/zinc/91/75/57/1336917557.db2.gz FOZQATRULHQRRM-GOSISDBHSA-N 2 1 344.503 3.088 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001008742359 1336918589 /nfs/dbraw/zinc/91/85/89/1336918589.db2.gz ZSYSUSZUYIPOCQ-KRWDZBQOSA-N 2 1 334.508 3.023 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001008742359 1336918590 /nfs/dbraw/zinc/91/85/90/1336918590.db2.gz ZSYSUSZUYIPOCQ-KRWDZBQOSA-N 2 1 334.508 3.023 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001009625672 1337048638 /nfs/dbraw/zinc/04/86/38/1337048638.db2.gz FZBOSEROIOQPDG-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001009633953 1337050745 /nfs/dbraw/zinc/05/07/45/1337050745.db2.gz HJRWBTUDLRDNMW-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001009633953 1337050748 /nfs/dbraw/zinc/05/07/48/1337050748.db2.gz HJRWBTUDLRDNMW-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001009633953 1337050752 /nfs/dbraw/zinc/05/07/52/1337050752.db2.gz HJRWBTUDLRDNMW-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001014723748 1337885025 /nfs/dbraw/zinc/88/50/25/1337885025.db2.gz RGVGWWXRDDQLAU-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001014723748 1337885028 /nfs/dbraw/zinc/88/50/28/1337885028.db2.gz RGVGWWXRDDQLAU-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001014723748 1337885030 /nfs/dbraw/zinc/88/50/30/1337885030.db2.gz RGVGWWXRDDQLAU-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccc2c[nH+]cn21 ZINC001015033577 1337996580 /nfs/dbraw/zinc/99/65/80/1337996580.db2.gz RFRMUVDAXOGZME-MAUKXSAKSA-N 2 1 348.450 3.208 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001015797115 1338315177 /nfs/dbraw/zinc/31/51/77/1338315177.db2.gz XWOJFGPTOYBLLT-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001015797115 1338315178 /nfs/dbraw/zinc/31/51/78/1338315178.db2.gz XWOJFGPTOYBLLT-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001015797115 1338315180 /nfs/dbraw/zinc/31/51/80/1338315180.db2.gz XWOJFGPTOYBLLT-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(CC)CC)C1 ZINC001015971810 1338385402 /nfs/dbraw/zinc/38/54/02/1338385402.db2.gz DPLJFLAQDBOCQG-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001015971810 1338385406 /nfs/dbraw/zinc/38/54/06/1338385406.db2.gz DPLJFLAQDBOCQG-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001015971810 1338385408 /nfs/dbraw/zinc/38/54/08/1338385408.db2.gz DPLJFLAQDBOCQG-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016660742 1338681627 /nfs/dbraw/zinc/68/16/27/1338681627.db2.gz AWSYKXBKPGKWRO-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016662723 1338683245 /nfs/dbraw/zinc/68/32/45/1338683245.db2.gz MXFOFKBWMJDCBS-RBUKOAKNSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016862217 1338751369 /nfs/dbraw/zinc/75/13/69/1338751369.db2.gz TXSYZKGPHTXWQI-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016862347 1338751374 /nfs/dbraw/zinc/75/13/74/1338751374.db2.gz WMTGRLGOLZVCGQ-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001017140998 1338893515 /nfs/dbraw/zinc/89/35/15/1338893515.db2.gz BDEYDWSZPMGORD-AZUAARDMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2=CCCCC2)C1)[NH+](C)C ZINC001017202474 1338948203 /nfs/dbraw/zinc/94/82/03/1338948203.db2.gz XTCHGMUALLQFNI-WOJBJXKFSA-N 2 1 349.563 3.243 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001017210161 1338956413 /nfs/dbraw/zinc/95/64/13/1338956413.db2.gz XGOBFYBBEVMJQA-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC1CCCC1)C[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001017210161 1338956418 /nfs/dbraw/zinc/95/64/18/1338956418.db2.gz XGOBFYBBEVMJQA-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC1CCCC1)C[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001017210161 1338956420 /nfs/dbraw/zinc/95/64/20/1338956420.db2.gz XGOBFYBBEVMJQA-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001017226548 1338966871 /nfs/dbraw/zinc/96/68/71/1338966871.db2.gz LCHVEYJQVAKGBR-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001017689985 1339391541 /nfs/dbraw/zinc/39/15/41/1339391541.db2.gz WFBMTFXDZLCKAQ-YTQUADARSA-N 2 1 349.563 3.361 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001017689985 1339391543 /nfs/dbraw/zinc/39/15/43/1339391543.db2.gz WFBMTFXDZLCKAQ-YTQUADARSA-N 2 1 349.563 3.361 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001017689985 1339391545 /nfs/dbraw/zinc/39/15/45/1339391545.db2.gz WFBMTFXDZLCKAQ-YTQUADARSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001018067086 1339494535 /nfs/dbraw/zinc/49/45/35/1339494535.db2.gz PBENRQTZYBHUJS-BGYRXZFFSA-N 2 1 343.515 3.083 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001018873486 1339741129 /nfs/dbraw/zinc/74/11/29/1339741129.db2.gz RFMTVHZAXMIMJW-AEFFLSMTSA-N 2 1 344.503 3.088 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001028089304 1340418987 /nfs/dbraw/zinc/41/89/87/1340418987.db2.gz YGYWQLICDQSNLU-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001028089304 1340418989 /nfs/dbraw/zinc/41/89/89/1340418989.db2.gz YGYWQLICDQSNLU-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001028089304 1340418991 /nfs/dbraw/zinc/41/89/91/1340418991.db2.gz YGYWQLICDQSNLU-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093035 1340421162 /nfs/dbraw/zinc/42/11/62/1340421162.db2.gz GKBXFAHNXIKDHY-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093035 1340421164 /nfs/dbraw/zinc/42/11/64/1340421164.db2.gz GKBXFAHNXIKDHY-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093035 1340421166 /nfs/dbraw/zinc/42/11/66/1340421166.db2.gz GKBXFAHNXIKDHY-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCC1 ZINC001028181048 1340471022 /nfs/dbraw/zinc/47/10/22/1340471022.db2.gz MKRPAVRDFILRII-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001028181048 1340471023 /nfs/dbraw/zinc/47/10/23/1340471023.db2.gz MKRPAVRDFILRII-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1 ZINC001028181048 1340471024 /nfs/dbraw/zinc/47/10/24/1340471024.db2.gz MKRPAVRDFILRII-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC2CC(C)(C)C2)CC1 ZINC001028234785 1340496816 /nfs/dbraw/zinc/49/68/16/1340496816.db2.gz HROVJIKIPBEAQB-IBGZPJMESA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001028334936 1340572633 /nfs/dbraw/zinc/57/26/33/1340572633.db2.gz LCMBLTIQBKBSCY-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001028334936 1340572635 /nfs/dbraw/zinc/57/26/35/1340572635.db2.gz LCMBLTIQBKBSCY-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CC2(CCC2)C1 ZINC001028334936 1340572638 /nfs/dbraw/zinc/57/26/38/1340572638.db2.gz LCMBLTIQBKBSCY-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001028573862 1340710439 /nfs/dbraw/zinc/71/04/39/1340710439.db2.gz XLVAONJUTPJHTC-MRXNPFEDSA-N 2 1 349.544 3.052 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001028844774 1340855866 /nfs/dbraw/zinc/85/58/66/1340855866.db2.gz CECSEUJKNYLNMC-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001028844774 1340855871 /nfs/dbraw/zinc/85/58/71/1340855871.db2.gz CECSEUJKNYLNMC-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001028844774 1340855876 /nfs/dbraw/zinc/85/58/76/1340855876.db2.gz CECSEUJKNYLNMC-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001028844771 1340856213 /nfs/dbraw/zinc/85/62/13/1340856213.db2.gz CECSEUJKNYLNMC-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001028844771 1340856219 /nfs/dbraw/zinc/85/62/19/1340856219.db2.gz CECSEUJKNYLNMC-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001028844771 1340856224 /nfs/dbraw/zinc/85/62/24/1340856224.db2.gz CECSEUJKNYLNMC-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC=C(C)C)C1 ZINC001028918362 1340883748 /nfs/dbraw/zinc/88/37/48/1340883748.db2.gz GBLUXFNJYJHVQR-MOPGFXCFSA-N 2 1 335.536 3.045 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001028918362 1340883749 /nfs/dbraw/zinc/88/37/49/1340883749.db2.gz GBLUXFNJYJHVQR-MOPGFXCFSA-N 2 1 335.536 3.045 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001028918362 1340883750 /nfs/dbraw/zinc/88/37/50/1340883750.db2.gz GBLUXFNJYJHVQR-MOPGFXCFSA-N 2 1 335.536 3.045 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC([C@@H](C)[NH2+]CC2CC2)CC1 ZINC001029100487 1340930087 /nfs/dbraw/zinc/93/00/87/1340930087.db2.gz ACNLHBNSOUHDOS-HZPDHXFCSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001029101757 1340930283 /nfs/dbraw/zinc/93/02/83/1340930283.db2.gz MAKZJRQUVBVTNC-SQGPQFPESA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001029459872 1340995596 /nfs/dbraw/zinc/99/55/96/1340995596.db2.gz JHRKNCLKBIBBNX-HSALFYBXSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001029503349 1341002466 /nfs/dbraw/zinc/00/24/66/1341002466.db2.gz QEMAOPGNWNXTSZ-CEXWTWQISA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001029503349 1341002469 /nfs/dbraw/zinc/00/24/69/1341002469.db2.gz QEMAOPGNWNXTSZ-CEXWTWQISA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001029503349 1341002470 /nfs/dbraw/zinc/00/24/70/1341002470.db2.gz QEMAOPGNWNXTSZ-CEXWTWQISA-N 2 1 349.563 3.361 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001029595598 1341018543 /nfs/dbraw/zinc/01/85/43/1341018543.db2.gz NFQUVUHHOJFSKU-QGZVKYPTSA-N 2 1 347.547 3.115 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001029597313 1341018850 /nfs/dbraw/zinc/01/88/50/1341018850.db2.gz OHLCKYFTXWDVQW-BGYRXZFFSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001029755012 1341064276 /nfs/dbraw/zinc/06/42/76/1341064276.db2.gz HHWATEPXMCRPBJ-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029755012 1341064277 /nfs/dbraw/zinc/06/42/77/1341064277.db2.gz HHWATEPXMCRPBJ-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029755012 1341064278 /nfs/dbraw/zinc/06/42/78/1341064278.db2.gz HHWATEPXMCRPBJ-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030033216 1341162466 /nfs/dbraw/zinc/16/24/66/1341162466.db2.gz OOZQPBNYCROQSR-ZCNNSNEGSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030033216 1341162467 /nfs/dbraw/zinc/16/24/67/1341162467.db2.gz OOZQPBNYCROQSR-ZCNNSNEGSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030033216 1341162468 /nfs/dbraw/zinc/16/24/68/1341162468.db2.gz OOZQPBNYCROQSR-ZCNNSNEGSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030033216 1341162469 /nfs/dbraw/zinc/16/24/69/1341162469.db2.gz OOZQPBNYCROQSR-ZCNNSNEGSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCCCCC2)C1 ZINC001031713885 1341392087 /nfs/dbraw/zinc/39/20/87/1341392087.db2.gz HPNMVRFFKCABQQ-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001032804088 1341619503 /nfs/dbraw/zinc/61/95/03/1341619503.db2.gz WQFSDCSIXLFIBF-UFYCRDLUSA-N 2 1 343.515 3.011 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001032804088 1341619504 /nfs/dbraw/zinc/61/95/04/1341619504.db2.gz WQFSDCSIXLFIBF-UFYCRDLUSA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC3CCCCCC3)C2)CC[N@H+]1C ZINC001033098113 1341721276 /nfs/dbraw/zinc/72/12/76/1341721276.db2.gz CEKNCYVMXFCWCT-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001033098113 1341721277 /nfs/dbraw/zinc/72/12/77/1341721277.db2.gz CEKNCYVMXFCWCT-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001033098113 1341721278 /nfs/dbraw/zinc/72/12/78/1341721278.db2.gz CEKNCYVMXFCWCT-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033125178 1341733242 /nfs/dbraw/zinc/73/32/42/1341733242.db2.gz AHDMHXOXAUKZKK-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033125178 1341733244 /nfs/dbraw/zinc/73/32/44/1341733244.db2.gz AHDMHXOXAUKZKK-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033125178 1341733246 /nfs/dbraw/zinc/73/32/46/1341733246.db2.gz AHDMHXOXAUKZKK-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033270309 1341764899 /nfs/dbraw/zinc/76/48/99/1341764899.db2.gz DKEPDRJPHAZLQT-IBGZPJMESA-N 2 1 340.471 3.061 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001033353041 1341793308 /nfs/dbraw/zinc/79/33/08/1341793308.db2.gz CYXKXDDHFOCJGJ-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001033353041 1341793309 /nfs/dbraw/zinc/79/33/09/1341793309.db2.gz CYXKXDDHFOCJGJ-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001033353041 1341793312 /nfs/dbraw/zinc/79/33/12/1341793312.db2.gz CYXKXDDHFOCJGJ-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001033390679 1341809035 /nfs/dbraw/zinc/80/90/35/1341809035.db2.gz MELXGDJJEXBQJW-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001033570512 1341878484 /nfs/dbraw/zinc/87/84/84/1341878484.db2.gz BAGWVHYANNQWBV-RTBURBONSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001033570512 1341878485 /nfs/dbraw/zinc/87/84/85/1341878485.db2.gz BAGWVHYANNQWBV-RTBURBONSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001033570512 1341878486 /nfs/dbraw/zinc/87/84/86/1341878486.db2.gz BAGWVHYANNQWBV-RTBURBONSA-N 2 1 335.536 3.140 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033880665 1342057392 /nfs/dbraw/zinc/05/73/92/1342057392.db2.gz YUBGYOOCAVFONL-YJBOKZPZSA-N 2 1 342.487 3.225 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC)[C@H]2CC[NH+](CCC(C)C)C2)C1 ZINC001033936940 1342100247 /nfs/dbraw/zinc/10/02/47/1342100247.db2.gz ZNBSHTHZZIVCAZ-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(CC)[C@H]2CC[N@H+](CCC(C)C)C2)C1 ZINC001033936940 1342100251 /nfs/dbraw/zinc/10/02/51/1342100251.db2.gz ZNBSHTHZZIVCAZ-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(CC)[C@H]2CC[N@@H+](CCC(C)C)C2)C1 ZINC001033936940 1342100256 /nfs/dbraw/zinc/10/02/56/1342100256.db2.gz ZNBSHTHZZIVCAZ-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCCCC2)C1 ZINC001034130533 1342260087 /nfs/dbraw/zinc/26/00/87/1342260087.db2.gz IGEHBUXFIGDXFR-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CCCCCC2)C1 ZINC001034130533 1342260090 /nfs/dbraw/zinc/26/00/90/1342260090.db2.gz IGEHBUXFIGDXFR-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CCCCCC2)C1 ZINC001034130533 1342260094 /nfs/dbraw/zinc/26/00/94/1342260094.db2.gz IGEHBUXFIGDXFR-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034204494 1342315303 /nfs/dbraw/zinc/31/53/03/1342315303.db2.gz MZTYDGNGOSVNSV-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC001034204494 1342315307 /nfs/dbraw/zinc/31/53/07/1342315307.db2.gz MZTYDGNGOSVNSV-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC(C)(C)C)C1 ZINC001034204494 1342315309 /nfs/dbraw/zinc/31/53/09/1342315309.db2.gz MZTYDGNGOSVNSV-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210601 1342320549 /nfs/dbraw/zinc/32/05/49/1342320549.db2.gz IFJQQJLOGGADHT-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210601 1342320553 /nfs/dbraw/zinc/32/05/53/1342320553.db2.gz IFJQQJLOGGADHT-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210601 1342320556 /nfs/dbraw/zinc/32/05/56/1342320556.db2.gz IFJQQJLOGGADHT-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034272562 1342364077 /nfs/dbraw/zinc/36/40/77/1342364077.db2.gz VUKWLIKIGUPZTB-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCCC2CCCC2)C1 ZINC001034272562 1342364082 /nfs/dbraw/zinc/36/40/82/1342364082.db2.gz VUKWLIKIGUPZTB-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCC2CCCC2)C1 ZINC001034272562 1342364084 /nfs/dbraw/zinc/36/40/84/1342364084.db2.gz VUKWLIKIGUPZTB-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331150 1342405841 /nfs/dbraw/zinc/40/58/41/1342405841.db2.gz RYDRCRYSQKJKMT-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034378575 1342448214 /nfs/dbraw/zinc/44/82/14/1342448214.db2.gz VOZICKZWTDQQRW-PXNSSMCTSA-N 2 1 343.515 3.060 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001034432695 1342493837 /nfs/dbraw/zinc/49/38/37/1342493837.db2.gz YTSGWPZHDNIXQQ-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034436773 1342499605 /nfs/dbraw/zinc/49/96/05/1342499605.db2.gz CGNVVJVLSVVVNH-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CC2)C1 ZINC001034436773 1342499608 /nfs/dbraw/zinc/49/96/08/1342499608.db2.gz CGNVVJVLSVVVNH-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CC2)C1 ZINC001034436773 1342499611 /nfs/dbraw/zinc/49/96/11/1342499611.db2.gz CGNVVJVLSVVVNH-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCCC[N@@H+](CCC2CC2)C1)[NH+]1CCCCCC1 ZINC001034438404 1342500158 /nfs/dbraw/zinc/50/01/58/1342500158.db2.gz NKPHLECQPUFJBD-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001034491297 1342548348 /nfs/dbraw/zinc/54/83/48/1342548348.db2.gz RYKMPQXENURDNJ-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001034491297 1342548354 /nfs/dbraw/zinc/54/83/54/1342548354.db2.gz RYKMPQXENURDNJ-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001034491297 1342548359 /nfs/dbraw/zinc/54/83/59/1342548359.db2.gz RYKMPQXENURDNJ-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H](F)CC[N@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034535219 1342591754 /nfs/dbraw/zinc/59/17/54/1342591754.db2.gz CWKKIZVZXOWYBG-QFBILLFUSA-N 2 1 349.494 3.081 20 0 EGADMP CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034545524 1342607351 /nfs/dbraw/zinc/60/73/51/1342607351.db2.gz UXOKAZNZEAFZQM-MRXNPFEDSA-N 2 1 335.492 3.116 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](CC3CC3)C2)o1 ZINC001034545709 1342608773 /nfs/dbraw/zinc/60/87/73/1342608773.db2.gz WBZVNXOWUVTLEY-QGZVFWFLSA-N 2 1 347.503 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001034659183 1342675819 /nfs/dbraw/zinc/67/58/19/1342675819.db2.gz OLAJMAZXDAHJAD-KZNAEPCWSA-N 2 1 349.544 3.140 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1 ZINC001034662186 1342676409 /nfs/dbraw/zinc/67/64/09/1342676409.db2.gz FUIPKRAGIXWOBT-FHWLQOOXSA-N 2 1 335.536 3.066 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1 ZINC001034736772 1342728759 /nfs/dbraw/zinc/72/87/59/1342728759.db2.gz BVCUCQKKXDSIDS-FRYIKTPZSA-N 2 1 347.547 3.092 20 0 EGADMP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC001034817157 1342780729 /nfs/dbraw/zinc/78/07/29/1342780729.db2.gz VSPCRRQEYODXEN-FQEVSTJZSA-N 2 1 343.515 3.208 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1csc(C)c1 ZINC001034954695 1342851661 /nfs/dbraw/zinc/85/16/61/1342851661.db2.gz UDLVARYFZDQDAT-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001035051985 1342899483 /nfs/dbraw/zinc/89/94/83/1342899483.db2.gz VCYYRCDOIOIRBR-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035210266 1343028156 /nfs/dbraw/zinc/02/81/56/1343028156.db2.gz JXBJNCVMDWQMHM-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001035233886 1343056589 /nfs/dbraw/zinc/05/65/89/1343056589.db2.gz NVLIRQOLOKXVKI-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035256934 1343083137 /nfs/dbraw/zinc/08/31/37/1343083137.db2.gz PCMGOROPOPTYQI-KDURUIRLSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035256934 1343083139 /nfs/dbraw/zinc/08/31/39/1343083139.db2.gz PCMGOROPOPTYQI-KDURUIRLSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035256934 1343083144 /nfs/dbraw/zinc/08/31/44/1343083144.db2.gz PCMGOROPOPTYQI-KDURUIRLSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036731720 1343661048 /nfs/dbraw/zinc/66/10/48/1343661048.db2.gz YGHHSEUIHKKLED-NVXWUHKLSA-N 2 1 349.544 3.002 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820705 1343758881 /nfs/dbraw/zinc/75/88/81/1343758881.db2.gz NEXUYEYATCFJSN-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820705 1343758884 /nfs/dbraw/zinc/75/88/84/1343758884.db2.gz NEXUYEYATCFJSN-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820705 1343758888 /nfs/dbraw/zinc/75/88/88/1343758888.db2.gz NEXUYEYATCFJSN-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001037250307 1344068865 /nfs/dbraw/zinc/06/88/65/1344068865.db2.gz BIQYGSNJHZPALC-MOPGFXCFSA-N 2 1 346.519 3.036 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCC2CCCC2)C1 ZINC001038339860 1344387261 /nfs/dbraw/zinc/38/72/61/1344387261.db2.gz KDGLBIITMBJSAK-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCC2CCCC2)C1 ZINC001038339860 1344387263 /nfs/dbraw/zinc/38/72/63/1344387263.db2.gz KDGLBIITMBJSAK-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCCC2CCCC2)C1 ZINC001038339860 1344387264 /nfs/dbraw/zinc/38/72/64/1344387264.db2.gz KDGLBIITMBJSAK-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038519650 1344463050 /nfs/dbraw/zinc/46/30/50/1344463050.db2.gz MAQZXJHBDQLXLP-APWZRJJASA-N 2 1 348.450 3.208 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCC2CCCCCC2)CC[N@H+]1C ZINC001038631762 1344512767 /nfs/dbraw/zinc/51/27/67/1344512767.db2.gz VRBGFLXNRWMKMG-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCC2CCCCCC2)CC[NH+]1C ZINC001038631762 1344512770 /nfs/dbraw/zinc/51/27/70/1344512770.db2.gz VRBGFLXNRWMKMG-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCC2CCCCCC2)CC[NH+]1C ZINC001038631762 1344512774 /nfs/dbraw/zinc/51/27/74/1344512774.db2.gz VRBGFLXNRWMKMG-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001039046827 1344732683 /nfs/dbraw/zinc/73/26/83/1344732683.db2.gz BUVLVJUABXIOAD-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001039046827 1344732685 /nfs/dbraw/zinc/73/26/85/1344732685.db2.gz BUVLVJUABXIOAD-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCC2(CC2)CC1 ZINC001039046827 1344732692 /nfs/dbraw/zinc/73/26/92/1344732692.db2.gz BUVLVJUABXIOAD-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCCC1 ZINC001039051418 1344735696 /nfs/dbraw/zinc/73/56/96/1344735696.db2.gz VSSNAEGAQLCRQU-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCCC1 ZINC001039051418 1344735699 /nfs/dbraw/zinc/73/56/99/1344735699.db2.gz VSSNAEGAQLCRQU-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001039051418 1344735703 /nfs/dbraw/zinc/73/57/03/1344735703.db2.gz VSSNAEGAQLCRQU-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182896 1344880877 /nfs/dbraw/zinc/88/08/77/1344880877.db2.gz UBYRMJRBOIKMQD-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182896 1344880879 /nfs/dbraw/zinc/88/08/79/1344880879.db2.gz UBYRMJRBOIKMQD-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182896 1344880882 /nfs/dbraw/zinc/88/08/82/1344880882.db2.gz UBYRMJRBOIKMQD-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235319 1344956610 /nfs/dbraw/zinc/95/66/10/1344956610.db2.gz WFTKGWOFKKDLSU-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039235319 1344956613 /nfs/dbraw/zinc/95/66/13/1344956613.db2.gz WFTKGWOFKKDLSU-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039235319 1344956616 /nfs/dbraw/zinc/95/66/16/1344956616.db2.gz WFTKGWOFKKDLSU-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235234 1344956781 /nfs/dbraw/zinc/95/67/81/1344956781.db2.gz VSORCWCKKWMUOE-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039235234 1344956782 /nfs/dbraw/zinc/95/67/82/1344956782.db2.gz VSORCWCKKWMUOE-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039235234 1344956783 /nfs/dbraw/zinc/95/67/83/1344956783.db2.gz VSORCWCKKWMUOE-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001039277031 1344993717 /nfs/dbraw/zinc/99/37/17/1344993717.db2.gz VEYWERPDAFADCL-XVLXNVKGSA-N 2 1 335.536 3.017 20 0 EGADMP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001039298723 1345002198 /nfs/dbraw/zinc/00/21/98/1345002198.db2.gz LCZXQXQHWDBOHY-MVCQKVDPSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C)C1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CC2=CCCCC2)CCC1 ZINC001039641235 1345152156 /nfs/dbraw/zinc/15/21/56/1345152156.db2.gz MEYXAPPQDJYNML-KDURUIRLSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+](C)C1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC2=CCCCC2)CCC1 ZINC001039641235 1345152159 /nfs/dbraw/zinc/15/21/59/1345152159.db2.gz MEYXAPPQDJYNML-KDURUIRLSA-N 2 1 345.531 3.036 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CC1 ZINC001039969666 1345272181 /nfs/dbraw/zinc/27/21/81/1345272181.db2.gz QZNWHZXFWIFBHW-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040209290 1345375824 /nfs/dbraw/zinc/37/58/24/1345375824.db2.gz ICHVTBLNKNXORU-XLIONFOSSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040209290 1345375826 /nfs/dbraw/zinc/37/58/26/1345375826.db2.gz ICHVTBLNKNXORU-XLIONFOSSA-N 2 1 346.519 3.121 20 0 EGADMP C[NH+](C)C1(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC(C)(C)C)C3)CCC1 ZINC001040235263 1345388576 /nfs/dbraw/zinc/38/85/76/1345388576.db2.gz AISBJTMCEQXLRE-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040242208 1345392795 /nfs/dbraw/zinc/39/27/95/1345392795.db2.gz XCDPGMRABGYZNN-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040327576 1345434038 /nfs/dbraw/zinc/43/40/38/1345434038.db2.gz GGYNKMNVGPIWHY-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040393314 1345473751 /nfs/dbraw/zinc/47/37/51/1345473751.db2.gz ATAAJECZRMFCEQ-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001040393314 1345473753 /nfs/dbraw/zinc/47/37/53/1345473753.db2.gz ATAAJECZRMFCEQ-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001040393314 1345473756 /nfs/dbraw/zinc/47/37/56/1345473756.db2.gz ATAAJECZRMFCEQ-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@]2(C1)CCC[NH+](CCC(C)(C)C)C2 ZINC001040396978 1345475458 /nfs/dbraw/zinc/47/54/58/1345475458.db2.gz XLWOKPKXYQNRLT-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC(C)(C)C)C2 ZINC001040396978 1345475459 /nfs/dbraw/zinc/47/54/59/1345475459.db2.gz XLWOKPKXYQNRLT-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC(C)(C)C)C2 ZINC001040396978 1345475460 /nfs/dbraw/zinc/47/54/60/1345475460.db2.gz XLWOKPKXYQNRLT-GHTZIAJQSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001040542326 1345537560 /nfs/dbraw/zinc/53/75/60/1345537560.db2.gz GVOZYGPSMFSQQS-NRFANRHFSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001040542328 1345537729 /nfs/dbraw/zinc/53/77/29/1345537729.db2.gz GVOZYGPSMFSQQS-OAQYLSRUSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001040847661 1345587626 /nfs/dbraw/zinc/58/76/26/1345587626.db2.gz WAGVYQYFFDITNY-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1C[NH+](CCC2=CCCCC2)C1 ZINC001042922963 1346124918 /nfs/dbraw/zinc/12/49/18/1346124918.db2.gz IIKWLTZIPJLUHT-LJQANCHMSA-N 2 1 347.547 3.282 20 0 EGADMP CN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1C[NH+](CCC2=CCCCC2)C1 ZINC001043075427 1346137196 /nfs/dbraw/zinc/13/71/96/1346137196.db2.gz ZBPHOQFLAJZREN-UYAOXDASSA-N 2 1 345.531 3.036 20 0 EGADMP CN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1C[NH+](CCC2=CCCCC2)C1 ZINC001043075427 1346137198 /nfs/dbraw/zinc/13/71/98/1346137198.db2.gz ZBPHOQFLAJZREN-UYAOXDASSA-N 2 1 345.531 3.036 20 0 EGADMP CN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1C[NH+](CCCC2CCCC2)C1 ZINC001043073298 1346137213 /nfs/dbraw/zinc/13/72/13/1346137213.db2.gz KWNCJSSYYLUIIT-UYAOXDASSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1C[NH+](CCCC2CCCC2)C1 ZINC001043073298 1346137215 /nfs/dbraw/zinc/13/72/15/1346137215.db2.gz KWNCJSSYYLUIIT-UYAOXDASSA-N 2 1 347.547 3.116 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001043355280 1346168849 /nfs/dbraw/zinc/16/88/49/1346168849.db2.gz OBXHAZWZTFEHED-INIZCTEOSA-N 2 1 348.450 3.160 20 0 EGADMP C[C@H]1CCC[C@H](CC[NH+]2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001043522252 1346186291 /nfs/dbraw/zinc/18/62/91/1346186291.db2.gz YCFJZRTUXQVZAM-ZWKOTPCHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001044336763 1346301384 /nfs/dbraw/zinc/30/13/84/1346301384.db2.gz VEMNCETYKUDSHS-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001044336763 1346301385 /nfs/dbraw/zinc/30/13/85/1346301385.db2.gz VEMNCETYKUDSHS-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044629697 1346387572 /nfs/dbraw/zinc/38/75/72/1346387572.db2.gz OSOMAEOJEGTBLN-FUHWJXTLSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044630357 1346387959 /nfs/dbraw/zinc/38/79/59/1346387959.db2.gz VWXZFTYSQJJBCP-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C[C@@H]1C ZINC001044686999 1346403302 /nfs/dbraw/zinc/40/33/02/1346403302.db2.gz XQTCHRHOOFPJPZ-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001045201226 1346529230 /nfs/dbraw/zinc/52/92/30/1346529230.db2.gz YGIBBPDSERZASR-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001045441878 1346594613 /nfs/dbraw/zinc/59/46/13/1346594613.db2.gz LGEIEVRIAUTLJX-KRWDZBQOSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC2(C)CC[NH+](CC3CCCC3)CC2)C1 ZINC001045461200 1346599479 /nfs/dbraw/zinc/59/94/79/1346599479.db2.gz RRBZSRUSHJNFHK-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1=CCCCC1 ZINC001045892187 1346735552 /nfs/dbraw/zinc/73/55/52/1346735552.db2.gz RKXUPVQPTZMHII-UXHICEINSA-N 2 1 345.531 3.038 20 0 EGADMP CC(C)[C@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1)[NH+](C)C ZINC001045964966 1346800351 /nfs/dbraw/zinc/80/03/51/1346800351.db2.gz QRIDTWHWNYDMMS-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001045974106 1346810096 /nfs/dbraw/zinc/81/00/96/1346810096.db2.gz YEUAUHCBESYHCK-PZJWPPBQSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001045974106 1346810098 /nfs/dbraw/zinc/81/00/98/1346810098.db2.gz YEUAUHCBESYHCK-PZJWPPBQSA-N 2 1 349.563 3.362 20 0 EGADMP CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001045975278 1346812031 /nfs/dbraw/zinc/81/20/31/1346812031.db2.gz YPYTVFLCEWKFTM-NRFANRHFSA-N 2 1 343.515 3.086 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045976447 1346812973 /nfs/dbraw/zinc/81/29/73/1346812973.db2.gz ZOQSVLCOVHTJDT-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001045987199 1346828762 /nfs/dbraw/zinc/82/87/62/1346828762.db2.gz LOBOKJSLAUSPHI-TZIWHRDSSA-N 2 1 343.515 3.014 20 0 EGADMP CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001045987199 1346828765 /nfs/dbraw/zinc/82/87/65/1346828765.db2.gz LOBOKJSLAUSPHI-TZIWHRDSSA-N 2 1 343.515 3.014 20 0 EGADMP C[C@@]1(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+](CCC2CC2)C1 ZINC001046315515 1346931614 /nfs/dbraw/zinc/93/16/14/1346931614.db2.gz XBORKRGPRDGANX-WIYYLYMNSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@]1(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+](CCC2CC2)C1 ZINC001046315515 1346931618 /nfs/dbraw/zinc/93/16/18/1346931618.db2.gz XBORKRGPRDGANX-WIYYLYMNSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@]1(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](CCC2CC2)C1 ZINC001046315515 1346931620 /nfs/dbraw/zinc/93/16/20/1346931620.db2.gz XBORKRGPRDGANX-WIYYLYMNSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CCC3CCCCC3)C2)CC[N@H+]1C ZINC001046330676 1346935907 /nfs/dbraw/zinc/93/59/07/1346935907.db2.gz PQKDESDYZIBEFW-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001046330676 1346935910 /nfs/dbraw/zinc/93/59/10/1346935910.db2.gz PQKDESDYZIBEFW-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001046330676 1346935911 /nfs/dbraw/zinc/93/59/11/1346935911.db2.gz PQKDESDYZIBEFW-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@]1(NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+](CC2CCCCC2)C1 ZINC001046450113 1346977820 /nfs/dbraw/zinc/97/78/20/1346977820.db2.gz PSXSCJJVWSPCDU-HXUWFJFHSA-N 2 1 340.471 3.109 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@]2(C)CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001046561949 1347018225 /nfs/dbraw/zinc/01/82/25/1347018225.db2.gz JYCMGIBOPRLRIV-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@]2(C)CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001046561949 1347018227 /nfs/dbraw/zinc/01/82/27/1347018227.db2.gz JYCMGIBOPRLRIV-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001046561949 1347018231 /nfs/dbraw/zinc/01/82/31/1347018231.db2.gz JYCMGIBOPRLRIV-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CC3CCCC3)C2)cc1 ZINC001046707806 1347068895 /nfs/dbraw/zinc/06/88/95/1347068895.db2.gz XFWFCAAKECAZQU-OAQYLSRUSA-N 2 1 343.515 3.133 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001048530261 1347579652 /nfs/dbraw/zinc/57/96/52/1347579652.db2.gz MIEJPZUNRHNBHK-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001048530261 1347579654 /nfs/dbraw/zinc/57/96/54/1347579654.db2.gz MIEJPZUNRHNBHK-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001048530261 1347579655 /nfs/dbraw/zinc/57/96/55/1347579655.db2.gz MIEJPZUNRHNBHK-YRPNKDGESA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001048531395 1347580400 /nfs/dbraw/zinc/58/04/00/1347580400.db2.gz MWMSXVZRFOPTGK-FCGDIQPGSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001048531395 1347580402 /nfs/dbraw/zinc/58/04/02/1347580402.db2.gz MWMSXVZRFOPTGK-FCGDIQPGSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001048531395 1347580404 /nfs/dbraw/zinc/58/04/04/1347580404.db2.gz MWMSXVZRFOPTGK-FCGDIQPGSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001048534004 1347582213 /nfs/dbraw/zinc/58/22/13/1347582213.db2.gz ODONYILIVJTTHA-GSEOLPGOSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001048534004 1347582216 /nfs/dbraw/zinc/58/22/16/1347582216.db2.gz ODONYILIVJTTHA-GSEOLPGOSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001048534004 1347582219 /nfs/dbraw/zinc/58/22/19/1347582219.db2.gz ODONYILIVJTTHA-GSEOLPGOSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001048910597 1347682589 /nfs/dbraw/zinc/68/25/89/1347682589.db2.gz BWQPHNQLLXUCRB-OKZBNKHCSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]2C1 ZINC001048910597 1347682592 /nfs/dbraw/zinc/68/25/92/1347682592.db2.gz BWQPHNQLLXUCRB-OKZBNKHCSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]2C1 ZINC001048910597 1347682594 /nfs/dbraw/zinc/68/25/94/1347682594.db2.gz BWQPHNQLLXUCRB-OKZBNKHCSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510326 1347885118 /nfs/dbraw/zinc/88/51/18/1347885118.db2.gz DWAKCIFVYLIZCN-SJORKVTESA-N 2 1 349.544 3.145 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510326 1347885121 /nfs/dbraw/zinc/88/51/21/1347885121.db2.gz DWAKCIFVYLIZCN-SJORKVTESA-N 2 1 349.544 3.145 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC2CCCCC2)CCC1 ZINC001049517052 1347888035 /nfs/dbraw/zinc/88/80/35/1347888035.db2.gz GMBPDXALHAPTRZ-RTBURBONSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC001049535666 1347896903 /nfs/dbraw/zinc/89/69/03/1347896903.db2.gz IHCZXQXHBRHZOU-GUDVDZBRSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049535666 1347896906 /nfs/dbraw/zinc/89/69/06/1347896906.db2.gz IHCZXQXHBRHZOU-GUDVDZBRSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(C)(C)C ZINC001049535666 1347896908 /nfs/dbraw/zinc/89/69/08/1347896908.db2.gz IHCZXQXHBRHZOU-GUDVDZBRSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCCC1 ZINC001049654003 1347957153 /nfs/dbraw/zinc/95/71/53/1347957153.db2.gz FOOJXBFMNCARLL-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC1CCC1 ZINC001049654508 1347957355 /nfs/dbraw/zinc/95/73/55/1347957355.db2.gz JGFQTXNZTMZMFH-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC1CCC1 ZINC001049654508 1347957359 /nfs/dbraw/zinc/95/73/59/1347957359.db2.gz JGFQTXNZTMZMFH-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC1CCC1 ZINC001049654508 1347957361 /nfs/dbraw/zinc/95/73/61/1347957361.db2.gz JGFQTXNZTMZMFH-AABGKKOBSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049751016 1348000091 /nfs/dbraw/zinc/00/00/91/1348000091.db2.gz BGFWGDSKQYVHPX-MSOLQXFVSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049751016 1348000092 /nfs/dbraw/zinc/00/00/92/1348000092.db2.gz BGFWGDSKQYVHPX-MSOLQXFVSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049819690 1348036718 /nfs/dbraw/zinc/03/67/18/1348036718.db2.gz GVOGTXLFUIVOMZ-WOJBJXKFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049819687 1348036890 /nfs/dbraw/zinc/03/68/90/1348036890.db2.gz GVOGTXLFUIVOMZ-PMACEKPBSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050124885 1348189379 /nfs/dbraw/zinc/18/93/79/1348189379.db2.gz OBUFAFKKJIWTRC-FRYIKTPZSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050124885 1348189382 /nfs/dbraw/zinc/18/93/82/1348189382.db2.gz OBUFAFKKJIWTRC-FRYIKTPZSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050124885 1348189384 /nfs/dbraw/zinc/18/93/84/1348189384.db2.gz OBUFAFKKJIWTRC-FRYIKTPZSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]3C[NH+](CCC(C)(C)C)C[C@H]32)CC[N@H+]1C ZINC001050125140 1348190089 /nfs/dbraw/zinc/19/00/89/1348190089.db2.gz SDRILIRLEWQOAD-CADBVGFASA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]3C[N@H+](CCC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001050125140 1348190091 /nfs/dbraw/zinc/19/00/91/1348190091.db2.gz SDRILIRLEWQOAD-CADBVGFASA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](CCC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001050125140 1348190093 /nfs/dbraw/zinc/19/00/93/1348190093.db2.gz SDRILIRLEWQOAD-CADBVGFASA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001050261622 1348221491 /nfs/dbraw/zinc/22/14/91/1348221491.db2.gz HQUWRFQBCQUPFW-LPHOPBHVSA-N 2 1 331.504 3.235 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001050368081 1348240726 /nfs/dbraw/zinc/24/07/26/1348240726.db2.gz RIXHQNCICHQHGP-FRYIKTPZSA-N 2 1 349.563 3.029 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001050374091 1348242452 /nfs/dbraw/zinc/24/24/52/1348242452.db2.gz NAHIYWCHSFNGSI-VAMGGRTRSA-N 2 1 349.563 3.314 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C(C)C)CC1 ZINC001050386365 1348246789 /nfs/dbraw/zinc/24/67/89/1348246789.db2.gz OLQJQXGYEPZZSX-FHWLQOOXSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001052377117 1348535277 /nfs/dbraw/zinc/53/52/77/1348535277.db2.gz NJRWMDLUJXYNML-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001052377117 1348535279 /nfs/dbraw/zinc/53/52/79/1348535279.db2.gz NJRWMDLUJXYNML-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001052377117 1348535281 /nfs/dbraw/zinc/53/52/81/1348535281.db2.gz NJRWMDLUJXYNML-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052499290 1348560118 /nfs/dbraw/zinc/56/01/18/1348560118.db2.gz SLCXZFDMEGDSOW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC001052499290 1348560119 /nfs/dbraw/zinc/56/01/19/1348560119.db2.gz SLCXZFDMEGDSOW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001052499290 1348560121 /nfs/dbraw/zinc/56/01/21/1348560121.db2.gz SLCXZFDMEGDSOW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CCC[N@@H+](CC3CCC3)CC2)ccc2c[nH+]cn21 ZINC001052513900 1348563759 /nfs/dbraw/zinc/56/37/59/1348563759.db2.gz KOQWSCJZRYKRIB-QGZVFWFLSA-N 2 1 340.471 3.027 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001052563767 1348580572 /nfs/dbraw/zinc/58/05/72/1348580572.db2.gz YBWXYCLDFAEMAO-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001052563767 1348580575 /nfs/dbraw/zinc/58/05/75/1348580575.db2.gz YBWXYCLDFAEMAO-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CCC3CCCC3)CC2)CC[N@H+]1C ZINC001052658410 1348616987 /nfs/dbraw/zinc/61/69/87/1348616987.db2.gz NCIVMFJGXOEJOD-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CCC3CCCC3)CC2)CC[NH+]1C ZINC001052658410 1348616988 /nfs/dbraw/zinc/61/69/88/1348616988.db2.gz NCIVMFJGXOEJOD-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCC3CCCC3)CC2)CC[NH+]1C ZINC001052658410 1348616990 /nfs/dbraw/zinc/61/69/90/1348616990.db2.gz NCIVMFJGXOEJOD-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052715247 1348645480 /nfs/dbraw/zinc/64/54/80/1348645480.db2.gz BGZVYKLOJREJFW-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001052715247 1348645483 /nfs/dbraw/zinc/64/54/83/1348645483.db2.gz BGZVYKLOJREJFW-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001052715247 1348645487 /nfs/dbraw/zinc/64/54/87/1348645487.db2.gz BGZVYKLOJREJFW-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC1(C)CC(C[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001052717762 1348646937 /nfs/dbraw/zinc/64/69/37/1348646937.db2.gz ZDZJXJAOKDKPEP-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC(C[NH+]2CCC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001052717762 1348646939 /nfs/dbraw/zinc/64/69/39/1348646939.db2.gz ZDZJXJAOKDKPEP-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC(C[NH+]2CCC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001052717762 1348646941 /nfs/dbraw/zinc/64/69/41/1348646941.db2.gz ZDZJXJAOKDKPEP-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC001052859588 1348705388 /nfs/dbraw/zinc/70/53/88/1348705388.db2.gz MZNJHIHOFBXVKS-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC001052859588 1348705389 /nfs/dbraw/zinc/70/53/89/1348705389.db2.gz MZNJHIHOFBXVKS-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC001052859588 1348705391 /nfs/dbraw/zinc/70/53/91/1348705391.db2.gz MZNJHIHOFBXVKS-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001052958369 1348771942 /nfs/dbraw/zinc/77/19/42/1348771942.db2.gz MDHFSGQNNAFTRY-IBGZPJMESA-N 2 1 343.515 3.133 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029842 1348829143 /nfs/dbraw/zinc/82/91/43/1348829143.db2.gz WUHIFEMBQSWELY-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053055064 1348862616 /nfs/dbraw/zinc/86/26/16/1348862616.db2.gz VHGYGUKEKMNADB-VQTJNVASSA-N 2 1 349.563 3.223 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054142484 1349153024 /nfs/dbraw/zinc/15/30/24/1349153024.db2.gz CQLRXOFFUVGJJF-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001054183710 1349186729 /nfs/dbraw/zinc/18/67/29/1349186729.db2.gz OQNGWMDMTXBTLE-PZJWPPBQSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001054183710 1349186733 /nfs/dbraw/zinc/18/67/33/1349186733.db2.gz OQNGWMDMTXBTLE-PZJWPPBQSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001054183710 1349186736 /nfs/dbraw/zinc/18/67/36/1349186736.db2.gz OQNGWMDMTXBTLE-PZJWPPBQSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054186496 1349189031 /nfs/dbraw/zinc/18/90/31/1349189031.db2.gz UFFGQQITFSLZLC-FQEVSTJZSA-N 2 1 347.503 3.069 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054196874 1349199429 /nfs/dbraw/zinc/19/94/29/1349199429.db2.gz PARSYZARSLNYTI-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001054196874 1349199433 /nfs/dbraw/zinc/19/94/33/1349199433.db2.gz PARSYZARSLNYTI-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001054196874 1349199436 /nfs/dbraw/zinc/19/94/36/1349199436.db2.gz PARSYZARSLNYTI-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCCCC3)C2)C1)[NH+](C)C ZINC001054198775 1349200703 /nfs/dbraw/zinc/20/07/03/1349200703.db2.gz GUUZMNSWXUVLEZ-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[NH+](C(C)C)C2)C1 ZINC001054226478 1349220606 /nfs/dbraw/zinc/22/06/06/1349220606.db2.gz QUXLZVTVANCLQF-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001054226478 1349220609 /nfs/dbraw/zinc/22/06/09/1349220609.db2.gz QUXLZVTVANCLQF-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001054226478 1349220619 /nfs/dbraw/zinc/22/06/19/1349220619.db2.gz QUXLZVTVANCLQF-CTNGQTDRSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245136 1349238397 /nfs/dbraw/zinc/23/83/97/1349238397.db2.gz OYVIGABTVTVPDF-CTNGQTDRSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245203 1349238775 /nfs/dbraw/zinc/23/87/75/1349238775.db2.gz PSYANUNTUDZUDY-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cc2C1 ZINC001054270367 1349268909 /nfs/dbraw/zinc/26/89/09/1349268909.db2.gz MVBKQUCRTGKJMV-FQEVSTJZSA-N 2 1 341.499 3.069 20 0 EGADMP CC(C)=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2C1 ZINC001054270367 1349268916 /nfs/dbraw/zinc/26/89/16/1349268916.db2.gz MVBKQUCRTGKJMV-FQEVSTJZSA-N 2 1 341.499 3.069 20 0 EGADMP CC(C)=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2C1 ZINC001054270367 1349268919 /nfs/dbraw/zinc/26/89/19/1349268919.db2.gz MVBKQUCRTGKJMV-FQEVSTJZSA-N 2 1 341.499 3.069 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)cc2C1 ZINC001054285715 1349288545 /nfs/dbraw/zinc/28/85/45/1349288545.db2.gz WIFJHTGNYAFXRW-PMACEKPBSA-N 2 1 341.499 3.045 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)cc2C1 ZINC001054285715 1349288547 /nfs/dbraw/zinc/28/85/47/1349288547.db2.gz WIFJHTGNYAFXRW-PMACEKPBSA-N 2 1 341.499 3.045 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)cc2C1 ZINC001054285715 1349288549 /nfs/dbraw/zinc/28/85/49/1349288549.db2.gz WIFJHTGNYAFXRW-PMACEKPBSA-N 2 1 341.499 3.045 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001054296825 1349301737 /nfs/dbraw/zinc/30/17/37/1349301737.db2.gz ULYODRITZQCGRP-BMGDILEWSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001080254835 1357537617 /nfs/dbraw/zinc/53/76/17/1357537617.db2.gz HTYUCLDOPVUFNT-ZIFCJYIRSA-N 2 1 343.515 3.059 20 0 EGADMP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001086176817 1359015678 /nfs/dbraw/zinc/01/56/78/1359015678.db2.gz QYCSBMCYVCFCOC-NSHGMRRFSA-N 2 1 347.547 3.068 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCC3CC3)C2)ccc2c[nH+]cn21 ZINC001071627411 1354811326 /nfs/dbraw/zinc/81/13/26/1354811326.db2.gz FJSZXWJAWWLYOI-PBHICJAKSA-N 2 1 340.471 3.026 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CCCC1CCC1 ZINC001071734807 1354887140 /nfs/dbraw/zinc/88/71/40/1354887140.db2.gz AXGHZUVYEPYFMZ-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CC1CCCCC1 ZINC001071735336 1354887196 /nfs/dbraw/zinc/88/71/96/1354887196.db2.gz KNISQLFONWMKFL-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CC1CCCCCC1 ZINC001071796822 1354941430 /nfs/dbraw/zinc/94/14/30/1354941430.db2.gz YADSCSWLRDXNOZ-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CCCC1CCC1 ZINC001071822206 1354962902 /nfs/dbraw/zinc/96/29/02/1354962902.db2.gz VTXPTAMKPFIIHL-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CCCC1CCC1 ZINC001071822206 1354962905 /nfs/dbraw/zinc/96/29/05/1354962905.db2.gz VTXPTAMKPFIIHL-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CCCC1CCC1 ZINC001071822206 1354962914 /nfs/dbraw/zinc/96/29/14/1354962914.db2.gz VTXPTAMKPFIIHL-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071873521 1354998523 /nfs/dbraw/zinc/99/85/23/1354998523.db2.gz YATNNPMWKOFOSS-QFBILLFUSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071896245 1355011842 /nfs/dbraw/zinc/01/18/42/1355011842.db2.gz FGSQPFDIUOPQLG-QFBILLFUSA-N 2 1 331.504 3.131 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC3CCCCC3)C2)CC1 ZINC001071931479 1355031527 /nfs/dbraw/zinc/03/15/27/1355031527.db2.gz WCRZXGBAHADTNE-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001072084379 1355120224 /nfs/dbraw/zinc/12/02/24/1355120224.db2.gz BDALJCGDZQKUJZ-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001072084379 1355120226 /nfs/dbraw/zinc/12/02/26/1355120226.db2.gz BDALJCGDZQKUJZ-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001072085594 1355120763 /nfs/dbraw/zinc/12/07/63/1355120763.db2.gz VYZMEVYKPOIKFJ-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001072085594 1355120766 /nfs/dbraw/zinc/12/07/66/1355120766.db2.gz VYZMEVYKPOIKFJ-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@H+]1CC1CCC1 ZINC001072099513 1355129983 /nfs/dbraw/zinc/12/99/83/1355129983.db2.gz SBQOYZRMFCTRFS-QFBILLFUSA-N 2 1 343.515 3.131 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C)c1ccccc1 ZINC001074687007 1356224207 /nfs/dbraw/zinc/22/42/07/1356224207.db2.gz GWXLGRSVMKKWFU-DBVUQKKJSA-N 2 1 343.515 3.201 20 0 EGADMP CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1[NH2+]Cc1ccc(C)cc1 ZINC001323158363 1387304192 /nfs/dbraw/zinc/30/41/92/1387304192.db2.gz ICHTYENILHVTTK-UXHICEINSA-N 2 1 345.531 3.054 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001183392501 1387306176 /nfs/dbraw/zinc/30/61/76/1387306176.db2.gz XHOHDROJEJYYFO-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001082507394 1358052917 /nfs/dbraw/zinc/05/29/17/1358052917.db2.gz OZINBJFGMQMNKW-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCC3CCCCC3)C2)CC[N@H+]1C ZINC001082522319 1358053539 /nfs/dbraw/zinc/05/35/39/1358053539.db2.gz AHLHZBRWIOOBSO-GSEOLPGOSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21)[NH+](C)C ZINC001084448015 1358215677 /nfs/dbraw/zinc/21/56/77/1358215677.db2.gz GPOISWQETCMZOZ-GUDVDZBRSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)CC[NH3+] ZINC001183575949 1387320507 /nfs/dbraw/zinc/32/05/07/1387320507.db2.gz SPLLZIFRBYSCCK-IEBWSBKVSA-N 2 1 345.531 3.026 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3CCCCCC3)[C@H]2C1)[NH+](C)C ZINC001084970844 1358356500 /nfs/dbraw/zinc/35/65/00/1358356500.db2.gz XSLAZBVQCVHMDU-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCC3CCCC3)[C@H]2C1)[NH+](C)C ZINC001085025220 1358370392 /nfs/dbraw/zinc/37/03/92/1358370392.db2.gz KUDLGYGIFDQWGK-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049719 1358378676 /nfs/dbraw/zinc/37/86/76/1358378676.db2.gz UNKGZGZQJWTWQV-AQNXPRMDSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001085331851 1358470085 /nfs/dbraw/zinc/47/00/85/1358470085.db2.gz BOOICKYKHSDHOK-QXAKKESOSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)CN(C(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001183756188 1387343632 /nfs/dbraw/zinc/34/36/32/1387343632.db2.gz GDGRVEBYUPLWMI-VAMGGRTRSA-N 2 1 343.515 3.015 20 0 EGADMP CC(C)CN(C(=O)[C@H]1CC[N@H+]1Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001183756188 1387343635 /nfs/dbraw/zinc/34/36/35/1387343635.db2.gz GDGRVEBYUPLWMI-VAMGGRTRSA-N 2 1 343.515 3.015 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCC2CCCCCC2)CC[N@H+]1C ZINC001085605475 1358627823 /nfs/dbraw/zinc/62/78/23/1358627823.db2.gz KRSZWNNLPIGPDG-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC2CCCCCC2)CC[NH+]1C ZINC001085605475 1358627826 /nfs/dbraw/zinc/62/78/26/1358627826.db2.gz KRSZWNNLPIGPDG-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCC2CCCCCC2)CC[NH+]1C ZINC001085605475 1358627830 /nfs/dbraw/zinc/62/78/30/1358627830.db2.gz KRSZWNNLPIGPDG-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001085629314 1358646114 /nfs/dbraw/zinc/64/61/14/1358646114.db2.gz QYEFCWCCXTUDPW-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001085629314 1358646117 /nfs/dbraw/zinc/64/61/17/1358646117.db2.gz QYEFCWCCXTUDPW-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001085629314 1358646118 /nfs/dbraw/zinc/64/61/18/1358646118.db2.gz QYEFCWCCXTUDPW-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC(C)(C)C ZINC001085856360 1358823706 /nfs/dbraw/zinc/82/37/06/1358823706.db2.gz XGBSYAVBZRWZAS-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001085856360 1358823710 /nfs/dbraw/zinc/82/37/10/1358823710.db2.gz XGBSYAVBZRWZAS-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001085856360 1358823713 /nfs/dbraw/zinc/82/37/13/1358823713.db2.gz XGBSYAVBZRWZAS-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC=C(C)C ZINC001085919185 1358878849 /nfs/dbraw/zinc/87/88/49/1358878849.db2.gz VLUBMRVSYBVLNK-MOPGFXCFSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC=C(C)C ZINC001085919185 1358878853 /nfs/dbraw/zinc/87/88/53/1358878853.db2.gz VLUBMRVSYBVLNK-MOPGFXCFSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC=C(C)C ZINC001085919185 1358878857 /nfs/dbraw/zinc/87/88/57/1358878857.db2.gz VLUBMRVSYBVLNK-MOPGFXCFSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC=C(C)C ZINC001085919185 1358878859 /nfs/dbraw/zinc/87/88/59/1358878859.db2.gz VLUBMRVSYBVLNK-MOPGFXCFSA-N 2 1 335.536 3.140 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001086091669 1358993113 /nfs/dbraw/zinc/99/31/13/1358993113.db2.gz INJJAQHADOGEEV-ZGXWSNOMSA-N 2 1 347.547 3.092 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086122385 1359002512 /nfs/dbraw/zinc/00/25/12/1359002512.db2.gz IZIFATPUVXVUOD-FTEYMNFISA-N 2 1 343.515 3.025 20 0 EGADMP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001086176855 1359015992 /nfs/dbraw/zinc/01/59/92/1359015992.db2.gz SLYZUPKBDREZMT-NSHGMRRFSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086216907 1359030677 /nfs/dbraw/zinc/03/06/77/1359030677.db2.gz FZCKMLXHYPGTCR-UHOSZYNNSA-N 2 1 349.563 3.170 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCCCC3)C2)CC[N@H+]1C ZINC001086371336 1359079368 /nfs/dbraw/zinc/07/93/68/1359079368.db2.gz CJAYONJXIDQWKK-VBSBHUPXSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086921155 1359248440 /nfs/dbraw/zinc/24/84/40/1359248440.db2.gz IYQBXNIVULZDJJ-OALUTQOASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC3(C[C@H]2C)CC[NH+](C(C)C)CC3)C1 ZINC001086926105 1359251278 /nfs/dbraw/zinc/25/12/78/1359251278.db2.gz PCRQEHJGXZOKFD-RTBURBONSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927399 1359252658 /nfs/dbraw/zinc/25/26/58/1359252658.db2.gz AMCIBMWDNAMRSH-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CC1 ZINC001087168295 1359312482 /nfs/dbraw/zinc/31/24/82/1359312482.db2.gz DRIIEIMKGYYQNW-RYRKJORJSA-N 2 1 346.519 3.023 20 0 EGADMP CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C(C)(C)[C@@H]21 ZINC001087312071 1359399595 /nfs/dbraw/zinc/39/95/95/1359399595.db2.gz YVSNRRXJWPWOSQ-GUDVDZBRSA-N 2 1 349.563 3.122 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CCC1CCCCC1 ZINC001087523221 1359509719 /nfs/dbraw/zinc/50/97/19/1359509719.db2.gz NSHNIRBPIDQELP-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCC1CCCCC1 ZINC001087523221 1359509721 /nfs/dbraw/zinc/50/97/21/1359509721.db2.gz NSHNIRBPIDQELP-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CCC1CCCCC1 ZINC001087523221 1359509725 /nfs/dbraw/zinc/50/97/25/1359509725.db2.gz NSHNIRBPIDQELP-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccsc2)[C@@H]1CC ZINC001087593733 1359547746 /nfs/dbraw/zinc/54/77/46/1359547746.db2.gz UBPBYYYXYHBPSG-RCCFBDPRSA-N 2 1 349.544 3.092 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccsc2)[C@@H]1CC ZINC001087593733 1359547759 /nfs/dbraw/zinc/54/77/59/1359547759.db2.gz UBPBYYYXYHBPSG-RCCFBDPRSA-N 2 1 349.544 3.092 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)[C@@H]1CC ZINC001087593733 1359547762 /nfs/dbraw/zinc/54/77/62/1359547762.db2.gz UBPBYYYXYHBPSG-RCCFBDPRSA-N 2 1 349.544 3.092 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC[N@H+]1CCC1CC1 ZINC001087602570 1359550599 /nfs/dbraw/zinc/55/05/99/1359550599.db2.gz UWOIKJKGKAGQNJ-CEXWTWQISA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CCC1CC1 ZINC001087602570 1359550601 /nfs/dbraw/zinc/55/06/01/1359550601.db2.gz UWOIKJKGKAGQNJ-CEXWTWQISA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC[NH+]1CCC1CC1 ZINC001087602570 1359550604 /nfs/dbraw/zinc/55/06/04/1359550604.db2.gz UWOIKJKGKAGQNJ-CEXWTWQISA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1CC1CCC1 ZINC001087762772 1359633247 /nfs/dbraw/zinc/63/32/47/1359633247.db2.gz MLAICXVSSFDDKD-VQTJNVASSA-N 2 1 343.515 3.131 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@H+]1CCC1CCCC1 ZINC001087840776 1359675018 /nfs/dbraw/zinc/67/50/18/1359675018.db2.gz NJFHGFVASJYTEV-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC[NH+]1CCC1CCCC1 ZINC001087840776 1359675019 /nfs/dbraw/zinc/67/50/19/1359675019.db2.gz NJFHGFVASJYTEV-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC[NH+]1CCC1CCCC1 ZINC001087840776 1359675021 /nfs/dbraw/zinc/67/50/21/1359675021.db2.gz NJFHGFVASJYTEV-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1 ZINC001088323388 1359830825 /nfs/dbraw/zinc/83/08/25/1359830825.db2.gz MYNCJDQCDLXECA-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCCCC[C@H]([NH2+]CCC3CC3)C2)C1 ZINC001088367463 1359851883 /nfs/dbraw/zinc/85/18/83/1359851883.db2.gz KQJXCGNDHHZHHL-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1CCC1CC1 ZINC001088811998 1360060342 /nfs/dbraw/zinc/06/03/42/1360060342.db2.gz HNNSRTYJROUKON-LSTHTHJFSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1CCC1CC1 ZINC001088811998 1360060345 /nfs/dbraw/zinc/06/03/45/1360060345.db2.gz HNNSRTYJROUKON-LSTHTHJFSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1CCC1CC1 ZINC001088811998 1360060347 /nfs/dbraw/zinc/06/03/47/1360060347.db2.gz HNNSRTYJROUKON-LSTHTHJFSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1C ZINC001088898528 1360097029 /nfs/dbraw/zinc/09/70/29/1360097029.db2.gz JDXXYRGLTBNBJW-HOJAQTOUSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC001088898528 1360097031 /nfs/dbraw/zinc/09/70/31/1360097031.db2.gz JDXXYRGLTBNBJW-HOJAQTOUSA-N 2 1 343.515 3.029 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC001088898528 1360097035 /nfs/dbraw/zinc/09/70/35/1360097035.db2.gz JDXXYRGLTBNBJW-HOJAQTOUSA-N 2 1 343.515 3.029 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088898887 1360098406 /nfs/dbraw/zinc/09/84/06/1360098406.db2.gz ZXBXUJIBAMWOMA-NEWSRXKRSA-N 2 1 337.552 3.265 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H]1C ZINC001088898887 1360098407 /nfs/dbraw/zinc/09/84/07/1360098407.db2.gz ZXBXUJIBAMWOMA-NEWSRXKRSA-N 2 1 337.552 3.265 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H]1C ZINC001088898887 1360098409 /nfs/dbraw/zinc/09/84/09/1360098409.db2.gz ZXBXUJIBAMWOMA-NEWSRXKRSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC3CCC3)[C@@H]2C)CC1 ZINC001088951849 1360112192 /nfs/dbraw/zinc/11/21/92/1360112192.db2.gz KYHPMDUOBNFTGJ-XLIONFOSSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CC1 ZINC001089236656 1360275303 /nfs/dbraw/zinc/27/53/03/1360275303.db2.gz VEUISBRMDCQJBK-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CC1 ZINC001089236656 1360275305 /nfs/dbraw/zinc/27/53/05/1360275305.db2.gz VEUISBRMDCQJBK-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1)[NH+]1CCCCC1 ZINC001089385281 1360386727 /nfs/dbraw/zinc/38/67/27/1360386727.db2.gz GCFUTWKHUGMERJ-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406126 1360404539 /nfs/dbraw/zinc/40/45/39/1360404539.db2.gz HQQRXQJWKGNDND-IRXDYDNUSA-N 2 1 346.519 3.167 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC(C)(C)C1 ZINC001089406126 1360404540 /nfs/dbraw/zinc/40/45/40/1360404540.db2.gz HQQRXQJWKGNDND-IRXDYDNUSA-N 2 1 346.519 3.167 20 0 EGADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC(C)(C)C1 ZINC001089426528 1360419080 /nfs/dbraw/zinc/41/90/80/1360419080.db2.gz IYEDRIZWRCPBBJ-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089426528 1360419078 /nfs/dbraw/zinc/41/90/78/1360419078.db2.gz IYEDRIZWRCPBBJ-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089426528 1360419079 /nfs/dbraw/zinc/41/90/79/1360419079.db2.gz IYEDRIZWRCPBBJ-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CC2)CC(C)(C)C1 ZINC001089428244 1360420527 /nfs/dbraw/zinc/42/05/27/1360420527.db2.gz VPSHWQAWQPTZRZ-RTBURBONSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089428244 1360420528 /nfs/dbraw/zinc/42/05/28/1360420528.db2.gz VPSHWQAWQPTZRZ-RTBURBONSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089428244 1360420529 /nfs/dbraw/zinc/42/05/29/1360420529.db2.gz VPSHWQAWQPTZRZ-RTBURBONSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430794 1360422848 /nfs/dbraw/zinc/42/28/48/1360422848.db2.gz UADOVDGSOWGVBE-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001091267428 1361026879 /nfs/dbraw/zinc/02/68/79/1361026879.db2.gz KOLGEXFZRIMWJL-MHJFOBGBSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091666903 1361175830 /nfs/dbraw/zinc/17/58/30/1361175830.db2.gz KHXNEDYGIUIIGH-OPYAIIAOSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091666903 1361175831 /nfs/dbraw/zinc/17/58/31/1361175831.db2.gz KHXNEDYGIUIIGH-OPYAIIAOSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091666903 1361175834 /nfs/dbraw/zinc/17/58/34/1361175834.db2.gz KHXNEDYGIUIIGH-OPYAIIAOSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091721072 1361191323 /nfs/dbraw/zinc/19/13/23/1361191323.db2.gz PDARLLOBGMGISY-LQWHRVPQSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091721072 1361191326 /nfs/dbraw/zinc/19/13/26/1361191326.db2.gz PDARLLOBGMGISY-LQWHRVPQSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091721072 1361191327 /nfs/dbraw/zinc/19/13/27/1361191327.db2.gz PDARLLOBGMGISY-LQWHRVPQSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(C)C)C[C@@]2(C)C1 ZINC001092191329 1361319367 /nfs/dbraw/zinc/31/93/67/1361319367.db2.gz PXMZWMKTAQKGAB-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(C)C)C[C@@]2(C)C1 ZINC001092191329 1361319368 /nfs/dbraw/zinc/31/93/68/1361319368.db2.gz PXMZWMKTAQKGAB-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(C)C)C[C@@]2(C)C1 ZINC001092191329 1361319370 /nfs/dbraw/zinc/31/93/70/1361319370.db2.gz PXMZWMKTAQKGAB-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CCCC(C)C)[C@H](C)C1 ZINC001184710973 1387515982 /nfs/dbraw/zinc/51/59/82/1387515982.db2.gz AUBXVNZYIQNRGV-MSOLQXFVSA-N 2 1 339.568 3.227 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585300 1361871095 /nfs/dbraw/zinc/87/10/95/1361871095.db2.gz RPACKNUQLHFEHE-NLWGTHIKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)CCC[C@@H]12 ZINC001094585300 1361871098 /nfs/dbraw/zinc/87/10/98/1361871098.db2.gz RPACKNUQLHFEHE-NLWGTHIKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3CC)CCC[C@@H]12 ZINC001094585300 1361871099 /nfs/dbraw/zinc/87/10/99/1361871099.db2.gz RPACKNUQLHFEHE-NLWGTHIKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC001324102425 1387542891 /nfs/dbraw/zinc/54/28/91/1387542891.db2.gz WZCDSZQFBBSVFV-UHOSZYNNSA-N 2 1 331.504 3.059 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCCC1 ZINC001095241970 1362065357 /nfs/dbraw/zinc/06/53/57/1362065357.db2.gz AYMKGWBAUBNEOV-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCCC1 ZINC001095241970 1362065361 /nfs/dbraw/zinc/06/53/61/1362065361.db2.gz AYMKGWBAUBNEOV-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCCC1 ZINC001095241970 1362065366 /nfs/dbraw/zinc/06/53/66/1362065366.db2.gz AYMKGWBAUBNEOV-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001095499206 1362157334 /nfs/dbraw/zinc/15/73/34/1362157334.db2.gz UUDQCBYSJJFVBR-FUMNGEBKSA-N 2 1 345.531 3.083 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001095499206 1362157336 /nfs/dbraw/zinc/15/73/36/1362157336.db2.gz UUDQCBYSJJFVBR-FUMNGEBKSA-N 2 1 345.531 3.083 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001095499206 1362157337 /nfs/dbraw/zinc/15/73/37/1362157337.db2.gz UUDQCBYSJJFVBR-FUMNGEBKSA-N 2 1 345.531 3.083 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001095625090 1362188371 /nfs/dbraw/zinc/18/83/71/1362188371.db2.gz YIYOUZHVVPNZEM-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001095625090 1362188376 /nfs/dbraw/zinc/18/83/76/1362188376.db2.gz YIYOUZHVVPNZEM-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001095625090 1362188380 /nfs/dbraw/zinc/18/83/80/1362188380.db2.gz YIYOUZHVVPNZEM-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001095625090 1362188382 /nfs/dbraw/zinc/18/83/82/1362188382.db2.gz YIYOUZHVVPNZEM-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1)[NH+]1CCCC1 ZINC001095864571 1362259242 /nfs/dbraw/zinc/25/92/42/1362259242.db2.gz RSPFNCWGCPFGPK-QYZOEREBSA-N 2 1 347.547 3.163 20 0 EGADMP CC1(C)CCC(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+]2CCCC2)C3)CC1 ZINC001096544736 1362570813 /nfs/dbraw/zinc/57/08/13/1362570813.db2.gz LYBCTAYVSQWLCD-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CCC(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+]2CCCC2)C3)CC1 ZINC001096544736 1362570819 /nfs/dbraw/zinc/57/08/19/1362570819.db2.gz LYBCTAYVSQWLCD-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCC2)CC[N@H+]1C ZINC001097104293 1362844620 /nfs/dbraw/zinc/84/46/20/1362844620.db2.gz NTCMOOWUAZWFTL-IVDHNXQLSA-N 2 1 347.547 3.019 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCC2)CC[NH+]1C ZINC001097104293 1362844625 /nfs/dbraw/zinc/84/46/25/1362844625.db2.gz NTCMOOWUAZWFTL-IVDHNXQLSA-N 2 1 347.547 3.019 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCC2)CC[NH+]1C ZINC001097104293 1362844629 /nfs/dbraw/zinc/84/46/29/1362844629.db2.gz NTCMOOWUAZWFTL-IVDHNXQLSA-N 2 1 347.547 3.019 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001097176950 1362874612 /nfs/dbraw/zinc/87/46/12/1362874612.db2.gz CPOZOEFGYBDFFJ-YRXWBPOGSA-N 2 1 347.547 3.019 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1 ZINC001097176950 1362874615 /nfs/dbraw/zinc/87/46/15/1362874615.db2.gz CPOZOEFGYBDFFJ-YRXWBPOGSA-N 2 1 347.547 3.019 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1 ZINC001097176950 1362874620 /nfs/dbraw/zinc/87/46/20/1362874620.db2.gz CPOZOEFGYBDFFJ-YRXWBPOGSA-N 2 1 347.547 3.019 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001097343740 1362943904 /nfs/dbraw/zinc/94/39/04/1362943904.db2.gz YIYOUZHVVPNZEM-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001097343740 1362943906 /nfs/dbraw/zinc/94/39/06/1362943906.db2.gz YIYOUZHVVPNZEM-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001097343740 1362943909 /nfs/dbraw/zinc/94/39/09/1362943909.db2.gz YIYOUZHVVPNZEM-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001097343740 1362943914 /nfs/dbraw/zinc/94/39/14/1362943914.db2.gz YIYOUZHVVPNZEM-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1)[NH+]1CCCC1 ZINC001097638894 1363085973 /nfs/dbraw/zinc/08/59/73/1363085973.db2.gz KIUMCWDAFYIIBQ-QRVBRYPASA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001185120608 1387622895 /nfs/dbraw/zinc/62/28/95/1387622895.db2.gz ULCDECNOHZCETK-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CCCCC1)C2 ZINC001098761465 1363460314 /nfs/dbraw/zinc/46/03/14/1363460314.db2.gz RFZKSKYTXHVSHV-ZVDOUQERSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CCCCC1)C2 ZINC001098761465 1363460315 /nfs/dbraw/zinc/46/03/15/1363460315.db2.gz RFZKSKYTXHVSHV-ZVDOUQERSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1CCCCC1)C2 ZINC001098761465 1363460317 /nfs/dbraw/zinc/46/03/17/1363460317.db2.gz RFZKSKYTXHVSHV-ZVDOUQERSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1CCCCC1)C2 ZINC001098761465 1363460319 /nfs/dbraw/zinc/46/03/19/1363460319.db2.gz RFZKSKYTXHVSHV-ZVDOUQERSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001098975365 1363550761 /nfs/dbraw/zinc/55/07/61/1363550761.db2.gz HBZHYGQLOHBKEH-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001098975365 1363550764 /nfs/dbraw/zinc/55/07/64/1363550764.db2.gz HBZHYGQLOHBKEH-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001098975365 1363550768 /nfs/dbraw/zinc/55/07/68/1363550768.db2.gz HBZHYGQLOHBKEH-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185170985 1387632217 /nfs/dbraw/zinc/63/22/17/1387632217.db2.gz SIOHPKDKRIMUAE-ZWKOTPCHSA-N 2 1 337.552 3.005 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001099116803 1363633327 /nfs/dbraw/zinc/63/33/27/1363633327.db2.gz WGDQOROCTAHZLW-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001099116803 1363633328 /nfs/dbraw/zinc/63/33/28/1363633328.db2.gz WGDQOROCTAHZLW-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001099116803 1363633330 /nfs/dbraw/zinc/63/33/30/1363633330.db2.gz WGDQOROCTAHZLW-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130586 1363642340 /nfs/dbraw/zinc/64/23/40/1363642340.db2.gz PNDODULSECOXCU-IAGOWNOFSA-N 2 1 339.568 3.370 20 0 EGADMP CC[C@@H](C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)CC ZINC001099130586 1363642342 /nfs/dbraw/zinc/64/23/42/1363642342.db2.gz PNDODULSECOXCU-IAGOWNOFSA-N 2 1 339.568 3.370 20 0 EGADMP CC[C@@H](C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001099130586 1363642343 /nfs/dbraw/zinc/64/23/43/1363642343.db2.gz PNDODULSECOXCU-IAGOWNOFSA-N 2 1 339.568 3.370 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099165592 1363666405 /nfs/dbraw/zinc/66/64/05/1363666405.db2.gz MXECFTOGRNOQCT-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001099200259 1363689588 /nfs/dbraw/zinc/68/95/88/1363689588.db2.gz XZFXBUKFVMCGEG-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CCC2)C1 ZINC001099240627 1363709417 /nfs/dbraw/zinc/70/94/17/1363709417.db2.gz UDQZKGSLSIGZKZ-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC[NH+](CC(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC2CCC2)C1 ZINC001099240627 1363709421 /nfs/dbraw/zinc/70/94/21/1363709421.db2.gz UDQZKGSLSIGZKZ-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC[NH+](CC(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC2CCC2)C1 ZINC001099240627 1363709425 /nfs/dbraw/zinc/70/94/25/1363709425.db2.gz UDQZKGSLSIGZKZ-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001099296430 1363736700 /nfs/dbraw/zinc/73/67/00/1363736700.db2.gz AVUKFKXJZPUVQF-CNZFZVQHSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001099296430 1363736703 /nfs/dbraw/zinc/73/67/03/1363736703.db2.gz AVUKFKXJZPUVQF-CNZFZVQHSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001099296430 1363736705 /nfs/dbraw/zinc/73/67/05/1363736705.db2.gz AVUKFKXJZPUVQF-CNZFZVQHSA-N 2 1 337.552 3.291 20 0 EGADMP CC1(C)CC[C@H](CNC(=O)C[NH+]2CCCC2)[N@@H+](CCCC2CCC2)C1 ZINC001099340720 1363760837 /nfs/dbraw/zinc/76/08/37/1363760837.db2.gz XJXDESFWBOCWSJ-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CCCC(C)(C)C)C2)CC[N@H+]1C ZINC001100345122 1364085974 /nfs/dbraw/zinc/08/59/74/1364085974.db2.gz QLXMDHQYQBAWDX-ZGUYJTEBSA-N 2 1 337.552 3.027 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1CC([NH2+]CCCC(C)C)C1 ZINC001100346011 1364086781 /nfs/dbraw/zinc/08/67/81/1364086781.db2.gz LSGVJXWQMFKOAY-WWDZGPRUSA-N 2 1 348.535 3.317 20 0 EGADMP CCC(CC)C[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001100406959 1364104205 /nfs/dbraw/zinc/10/42/05/1364104205.db2.gz TWNJEGSHDHEADP-ACBHZAAOSA-N 2 1 337.552 3.170 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001100410574 1364105173 /nfs/dbraw/zinc/10/51/73/1364105173.db2.gz CUKORMUGYNZIBP-AOCRQIFASA-N 2 1 343.515 3.025 20 0 EGADMP CC[C@@H]([NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)CC)C1)c1ccccc1 ZINC001100457346 1364120357 /nfs/dbraw/zinc/12/03/57/1364120357.db2.gz ZFIAOSXLEXHUJR-NKELODKYSA-N 2 1 345.531 3.352 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001100471263 1364126799 /nfs/dbraw/zinc/12/67/99/1364126799.db2.gz WLVKZRDZQQFIHV-KMJZGYOJSA-N 2 1 349.563 3.338 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCC2CC([NH2+]CCC3CCCCCC3)C2)C1 ZINC001100678781 1364214634 /nfs/dbraw/zinc/21/46/34/1364214634.db2.gz WQBYPNOASKTKAD-KKXNLOMOSA-N 2 1 349.563 3.173 20 0 EGADMP CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001100729723 1364238311 /nfs/dbraw/zinc/23/83/11/1364238311.db2.gz LIEABWRZTWTKMM-BKBBAENRSA-N 2 1 335.536 3.090 20 0 EGADMP CC(C)CCC[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001100729934 1364238484 /nfs/dbraw/zinc/23/84/84/1364238484.db2.gz WGNMJAGPFDQFMV-UHFFFAOYSA-N 2 1 348.535 3.317 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC([NH2+]CCCCC)C1 ZINC001100765231 1364251880 /nfs/dbraw/zinc/25/18/80/1364251880.db2.gz ZENNQNUJBMVDHK-UHFFFAOYSA-N 2 1 325.541 3.173 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339831 1364517590 /nfs/dbraw/zinc/51/75/90/1364517590.db2.gz IEZULHAMAWVBHC-HUUJSLGLSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339831 1364517591 /nfs/dbraw/zinc/51/75/91/1364517591.db2.gz IEZULHAMAWVBHC-HUUJSLGLSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339831 1364517595 /nfs/dbraw/zinc/51/75/95/1364517595.db2.gz IEZULHAMAWVBHC-HUUJSLGLSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+](CCCC3CCCC3)C[C@@]2(C)C1 ZINC001101345069 1364519470 /nfs/dbraw/zinc/51/94/70/1364519470.db2.gz RSWJOHMKQJWUSV-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC=C(C)C)C[C@@]2(C)C1)C(C)C ZINC001101397014 1364544601 /nfs/dbraw/zinc/54/46/01/1364544601.db2.gz VTYMDLWBJDZFIP-SBHAEUEKSA-N 2 1 349.563 3.099 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2C[N@@H+](CCC)C[C@@]2(C)C1 ZINC001101428230 1364559025 /nfs/dbraw/zinc/55/90/25/1364559025.db2.gz BAFUSYXSKUGKSA-QUCCMNQESA-N 2 1 337.552 3.079 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CCCC2)CC1 ZINC001101522380 1364597008 /nfs/dbraw/zinc/59/70/08/1364597008.db2.gz XVOYDJVOTJBOPA-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C(C)(C)C[NH2+]C(C)C)CC1 ZINC001101546529 1364610297 /nfs/dbraw/zinc/61/02/97/1364610297.db2.gz FSNJFCDYRFLYKC-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001101550630 1364613501 /nfs/dbraw/zinc/61/35/01/1364613501.db2.gz SJTDXWUYPPTYCZ-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001101588266 1364638683 /nfs/dbraw/zinc/63/86/83/1364638683.db2.gz COBJFSIRGCKRQO-QGZVFWFLSA-N 2 1 339.568 3.229 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102044969 1364821822 /nfs/dbraw/zinc/82/18/22/1364821822.db2.gz MEQIYTXYPGCGNH-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102044969 1364821825 /nfs/dbraw/zinc/82/18/25/1364821825.db2.gz MEQIYTXYPGCGNH-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001102044969 1364821826 /nfs/dbraw/zinc/82/18/26/1364821826.db2.gz MEQIYTXYPGCGNH-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102070315 1364836268 /nfs/dbraw/zinc/83/62/68/1364836268.db2.gz FNMPAFKTMVYIOZ-PWHNWJGYSA-N 2 1 337.552 3.003 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102190129 1364923767 /nfs/dbraw/zinc/92/37/67/1364923767.db2.gz SGKYFPJZDKKFAO-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC001102189140 1364923835 /nfs/dbraw/zinc/92/38/35/1364923835.db2.gz XWYOQCOMRXFKPI-RTBURBONSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001102189140 1364923836 /nfs/dbraw/zinc/92/38/36/1364923836.db2.gz XWYOQCOMRXFKPI-RTBURBONSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001102189140 1364923839 /nfs/dbraw/zinc/92/38/39/1364923839.db2.gz XWYOQCOMRXFKPI-RTBURBONSA-N 2 1 349.563 3.291 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292536 1364987827 /nfs/dbraw/zinc/98/78/27/1364987827.db2.gz RKMKOJVASDUHBD-GUDVDZBRSA-N 2 1 345.531 3.082 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C)[NH+](C)C ZINC001102330383 1365005201 /nfs/dbraw/zinc/00/52/01/1365005201.db2.gz SELJSVZHMHLBJN-MISYRCLQSA-N 2 1 349.563 3.147 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C)C(C)C ZINC001102472016 1365074263 /nfs/dbraw/zinc/07/42/63/1365074263.db2.gz CVCHVVVCOLRTQD-QRVBRYPASA-N 2 1 339.568 3.083 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001102599970 1365131951 /nfs/dbraw/zinc/13/19/51/1365131951.db2.gz FXEBJYIUSKAFLS-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC001102599970 1365131953 /nfs/dbraw/zinc/13/19/53/1365131953.db2.gz FXEBJYIUSKAFLS-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)[C@H](C)C1 ZINC001102599970 1365131955 /nfs/dbraw/zinc/13/19/55/1365131955.db2.gz FXEBJYIUSKAFLS-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001324661723 1387721952 /nfs/dbraw/zinc/72/19/52/1387721952.db2.gz OWROZVAGXIXBDS-ICSRJNTNSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001324661723 1387721955 /nfs/dbraw/zinc/72/19/55/1387721955.db2.gz OWROZVAGXIXBDS-ICSRJNTNSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001324661723 1387721959 /nfs/dbraw/zinc/72/19/59/1387721959.db2.gz OWROZVAGXIXBDS-ICSRJNTNSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001324669630 1387726289 /nfs/dbraw/zinc/72/62/89/1387726289.db2.gz PREJVRSTAKHNER-XLIONFOSSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001324669630 1387726292 /nfs/dbraw/zinc/72/62/92/1387726292.db2.gz PREJVRSTAKHNER-XLIONFOSSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001324669630 1387726293 /nfs/dbraw/zinc/72/62/93/1387726293.db2.gz PREJVRSTAKHNER-XLIONFOSSA-N 2 1 331.504 3.060 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001103005072 1365334509 /nfs/dbraw/zinc/33/45/09/1365334509.db2.gz OFHXOEPBWNCGAT-OGEVPIHTSA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001103005072 1365334513 /nfs/dbraw/zinc/33/45/13/1365334513.db2.gz OFHXOEPBWNCGAT-OGEVPIHTSA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001103005072 1365334516 /nfs/dbraw/zinc/33/45/16/1365334516.db2.gz OFHXOEPBWNCGAT-OGEVPIHTSA-N 2 1 349.563 3.147 20 0 EGADMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C)[NH+](CC)CC ZINC001103426691 1365553204 /nfs/dbraw/zinc/55/32/04/1365553204.db2.gz IQLAHMMFZDMDRH-GUDVDZBRSA-N 2 1 337.552 3.147 20 0 EGADMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C)[NH+](CC)CC ZINC001103426516 1365553303 /nfs/dbraw/zinc/55/33/03/1365553303.db2.gz AIWDAGFGSXDQMJ-GUDVDZBRSA-N 2 1 339.568 3.227 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438704 1365561271 /nfs/dbraw/zinc/56/12/71/1365561271.db2.gz XRGDNJHUIAALCL-LXORQPIJSA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001103438704 1365561275 /nfs/dbraw/zinc/56/12/75/1365561275.db2.gz XRGDNJHUIAALCL-LXORQPIJSA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001103438704 1365561279 /nfs/dbraw/zinc/56/12/79/1365561279.db2.gz XRGDNJHUIAALCL-LXORQPIJSA-N 2 1 349.563 3.149 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC001103631573 1365690120 /nfs/dbraw/zinc/69/01/20/1365690120.db2.gz UOKCFHGGQNVBKD-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC001103631573 1365690126 /nfs/dbraw/zinc/69/01/26/1365690126.db2.gz UOKCFHGGQNVBKD-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC001103631573 1365690129 /nfs/dbraw/zinc/69/01/29/1365690129.db2.gz UOKCFHGGQNVBKD-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCC[C@@H]1C[NH+](C(C)C)C[C@H]1C)c1ccccc1 ZINC001103634336 1365691983 /nfs/dbraw/zinc/69/19/83/1365691983.db2.gz UARKKHZQQANAKQ-RLLQIKCJSA-N 2 1 345.531 3.162 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccccc1 ZINC001103634336 1365691985 /nfs/dbraw/zinc/69/19/85/1365691985.db2.gz UARKKHZQQANAKQ-RLLQIKCJSA-N 2 1 345.531 3.162 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCC[C@@H]1C[N@H+](C(C)C)C[C@H]1C)c1ccccc1 ZINC001103634336 1365691989 /nfs/dbraw/zinc/69/19/89/1365691989.db2.gz UARKKHZQQANAKQ-RLLQIKCJSA-N 2 1 345.531 3.162 20 0 EGADMP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001103758917 1365767841 /nfs/dbraw/zinc/76/78/41/1365767841.db2.gz YZRFQJZUKKDXBK-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001103758917 1365767845 /nfs/dbraw/zinc/76/78/45/1365767845.db2.gz YZRFQJZUKKDXBK-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104185236 1365941542 /nfs/dbraw/zinc/94/15/42/1365941542.db2.gz AREMEMJVJAKSCZ-PFRNKHFKSA-N 2 1 349.563 3.290 20 0 EGADMP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104265061 1365972211 /nfs/dbraw/zinc/97/22/11/1365972211.db2.gz RGTDJTIPTMEHRD-JCHUFIKGSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@](C)(C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001324817436 1387782636 /nfs/dbraw/zinc/78/26/36/1387782636.db2.gz IJWZQPFAQLDMBB-OXJNMPFZSA-N 2 1 349.494 3.057 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccccc1F ZINC001185707224 1387783459 /nfs/dbraw/zinc/78/34/59/1387783459.db2.gz ZIYWXQGFFOMTDU-HZPDHXFCSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001324868728 1387797980 /nfs/dbraw/zinc/79/79/80/1387797980.db2.gz NAHLRXXMIBTEQU-SFHVURJKSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105517930 1366505329 /nfs/dbraw/zinc/50/53/29/1366505329.db2.gz NATVPONFZWIPKU-RBUKOAKNSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001105556065 1366528998 /nfs/dbraw/zinc/52/89/98/1366528998.db2.gz AYQONXWCXWICNJ-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CCC[C@@H]2C)CCC1 ZINC001105563352 1366532668 /nfs/dbraw/zinc/53/26/68/1366532668.db2.gz KSLZMTFXEDKVIM-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CCC1CCCCC1 ZINC001106322122 1366653710 /nfs/dbraw/zinc/65/37/10/1366653710.db2.gz KISUJYGDGKGTOZ-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106571220 1366740480 /nfs/dbraw/zinc/74/04/80/1366740480.db2.gz PYGXMKCGFMGUGG-AHSYYPKJSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CC1)CC2 ZINC001107435967 1366962889 /nfs/dbraw/zinc/96/28/89/1366962889.db2.gz HVHJYWUKWZKCRV-QKNQBKEWSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2 ZINC001107435967 1366962891 /nfs/dbraw/zinc/96/28/91/1366962891.db2.gz HVHJYWUKWZKCRV-QKNQBKEWSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2 ZINC001107435967 1366962894 /nfs/dbraw/zinc/96/28/94/1366962894.db2.gz HVHJYWUKWZKCRV-QKNQBKEWSA-N 2 1 347.547 3.020 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439315 1366963644 /nfs/dbraw/zinc/96/36/44/1366963644.db2.gz VMAXINVSDHXBJV-SVFBPWRDSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189312939 1366986107 /nfs/dbraw/zinc/98/61/07/1366986107.db2.gz YYUAQYANRHUBHD-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2)[NH+](CC)CC ZINC001107544202 1367035458 /nfs/dbraw/zinc/03/54/58/1367035458.db2.gz RDTFPUNMJGJPPA-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001189660862 1367080438 /nfs/dbraw/zinc/08/04/38/1367080438.db2.gz ZVZQMDPCDYGZDO-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001189660862 1367080443 /nfs/dbraw/zinc/08/04/43/1367080443.db2.gz ZVZQMDPCDYGZDO-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001189660862 1367080450 /nfs/dbraw/zinc/08/04/50/1367080450.db2.gz ZVZQMDPCDYGZDO-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646711 1367091546 /nfs/dbraw/zinc/09/15/46/1367091546.db2.gz RMIACBRQOLRQSX-WKQNUPFUSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646711 1367091550 /nfs/dbraw/zinc/09/15/50/1367091550.db2.gz RMIACBRQOLRQSX-WKQNUPFUSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646711 1367091555 /nfs/dbraw/zinc/09/15/55/1367091555.db2.gz RMIACBRQOLRQSX-WKQNUPFUSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001109474009 1367145855 /nfs/dbraw/zinc/14/58/55/1367145855.db2.gz NDYPZJDLQQAAOW-FYQPLNBISA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001109474009 1367145860 /nfs/dbraw/zinc/14/58/60/1367145860.db2.gz NDYPZJDLQQAAOW-FYQPLNBISA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001109474009 1367145865 /nfs/dbraw/zinc/14/58/65/1367145865.db2.gz NDYPZJDLQQAAOW-FYQPLNBISA-N 2 1 349.563 3.265 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001109473710 1367145928 /nfs/dbraw/zinc/14/59/28/1367145928.db2.gz AYYBKZCNQCAEET-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001109473710 1367145933 /nfs/dbraw/zinc/14/59/33/1367145933.db2.gz AYYBKZCNQCAEET-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001109473710 1367145937 /nfs/dbraw/zinc/14/59/37/1367145937.db2.gz AYYBKZCNQCAEET-XWSJACJDSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109560748 1367198485 /nfs/dbraw/zinc/19/84/85/1367198485.db2.gz PILRIRWPJDIEPN-LMCOJAPRSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001109560748 1367198490 /nfs/dbraw/zinc/19/84/90/1367198490.db2.gz PILRIRWPJDIEPN-LMCOJAPRSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001109560748 1367198495 /nfs/dbraw/zinc/19/84/95/1367198495.db2.gz PILRIRWPJDIEPN-LMCOJAPRSA-N 2 1 349.563 3.409 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001190246933 1367207982 /nfs/dbraw/zinc/20/79/82/1367207982.db2.gz HWFDHUOVAQBDTH-DLBZAZTESA-N 2 1 334.508 3.120 20 0 EGADMP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190246933 1367207990 /nfs/dbraw/zinc/20/79/90/1367207990.db2.gz HWFDHUOVAQBDTH-DLBZAZTESA-N 2 1 334.508 3.120 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190246933 1367207994 /nfs/dbraw/zinc/20/79/94/1367207994.db2.gz HWFDHUOVAQBDTH-DLBZAZTESA-N 2 1 334.508 3.120 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190652763 1367317156 /nfs/dbraw/zinc/31/71/56/1367317156.db2.gz AJOAOSDWWKPIAL-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190652763 1367317162 /nfs/dbraw/zinc/31/71/62/1367317162.db2.gz AJOAOSDWWKPIAL-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190652763 1367317168 /nfs/dbraw/zinc/31/71/68/1367317168.db2.gz AJOAOSDWWKPIAL-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001109798575 1367329278 /nfs/dbraw/zinc/32/92/78/1367329278.db2.gz JDLFKNLBJRRMIZ-LIAHNQMCSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001109798575 1367329282 /nfs/dbraw/zinc/32/92/82/1367329282.db2.gz JDLFKNLBJRRMIZ-LIAHNQMCSA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001109798575 1367329287 /nfs/dbraw/zinc/32/92/87/1367329287.db2.gz JDLFKNLBJRRMIZ-LIAHNQMCSA-N 2 1 347.547 3.327 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190744599 1367340801 /nfs/dbraw/zinc/34/08/01/1367340801.db2.gz SJXLOBIFDLATDE-OXUXSNCKSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001190744599 1367340804 /nfs/dbraw/zinc/34/08/04/1367340804.db2.gz SJXLOBIFDLATDE-OXUXSNCKSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001190744599 1367340809 /nfs/dbraw/zinc/34/08/09/1367340809.db2.gz SJXLOBIFDLATDE-OXUXSNCKSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110007060 1367455549 /nfs/dbraw/zinc/45/55/49/1367455549.db2.gz HFSKLVZQNHPMPM-CNGCZUSVSA-N 2 1 335.536 3.186 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)CC1 ZINC001110015009 1367458371 /nfs/dbraw/zinc/45/83/71/1367458371.db2.gz SIVZNOVIJNTTFD-PBDJWPIDSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC(C)CC1 ZINC001110015009 1367458373 /nfs/dbraw/zinc/45/83/73/1367458373.db2.gz SIVZNOVIJNTTFD-PBDJWPIDSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC(C)CC1 ZINC001110015009 1367458377 /nfs/dbraw/zinc/45/83/77/1367458377.db2.gz SIVZNOVIJNTTFD-PBDJWPIDSA-N 2 1 349.563 3.266 20 0 EGADMP CC1CC(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+]2CCCCC2)C3)C1 ZINC001110115019 1367507486 /nfs/dbraw/zinc/50/74/86/1367507486.db2.gz MGTFCRVPCNIBDZ-PBDJWPIDSA-N 2 1 347.547 3.020 20 0 EGADMP CC1CC(C[N@@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001191551374 1367526334 /nfs/dbraw/zinc/52/63/34/1367526334.db2.gz KUVJHLMHJHOPNU-AFMYVXGZSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CC(C[NH+](C)[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001191551374 1367526338 /nfs/dbraw/zinc/52/63/38/1367526338.db2.gz KUVJHLMHJHOPNU-AFMYVXGZSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CC(C[NH+](C)[C@@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001191551374 1367526341 /nfs/dbraw/zinc/52/63/41/1367526341.db2.gz KUVJHLMHJHOPNU-AFMYVXGZSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191550311 1367526486 /nfs/dbraw/zinc/52/64/86/1367526486.db2.gz BKUJURRKOGZPEU-MJGOQNOKSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@@H](C)C[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001191550311 1367526492 /nfs/dbraw/zinc/52/64/92/1367526492.db2.gz BKUJURRKOGZPEU-MJGOQNOKSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@@H](C)C[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001191550311 1367526502 /nfs/dbraw/zinc/52/65/02/1367526502.db2.gz BKUJURRKOGZPEU-MJGOQNOKSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001110191928 1367557308 /nfs/dbraw/zinc/55/73/08/1367557308.db2.gz OVUOXBUPDOMVCF-AABGKKOBSA-N 2 1 343.515 3.030 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001110191928 1367557313 /nfs/dbraw/zinc/55/73/13/1367557313.db2.gz OVUOXBUPDOMVCF-AABGKKOBSA-N 2 1 343.515 3.030 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001110191928 1367557319 /nfs/dbraw/zinc/55/73/19/1367557319.db2.gz OVUOXBUPDOMVCF-AABGKKOBSA-N 2 1 343.515 3.030 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001110191928 1367557321 /nfs/dbraw/zinc/55/73/21/1367557321.db2.gz OVUOXBUPDOMVCF-AABGKKOBSA-N 2 1 343.515 3.030 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001191989265 1367658777 /nfs/dbraw/zinc/65/87/77/1367658777.db2.gz RSCTVSGLUKSYEQ-GOSISDBHSA-N 2 1 347.503 3.068 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C)C1)[NH+](CC)CC ZINC001192325069 1367752148 /nfs/dbraw/zinc/75/21/48/1367752148.db2.gz JRPGDJNOLWNUNU-WOJBJXKFSA-N 2 1 345.531 3.148 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1)[NH+](CC)CC ZINC001192325081 1367752992 /nfs/dbraw/zinc/75/29/92/1367752992.db2.gz JSCKPKMPNYARPU-DLBZAZTESA-N 2 1 325.541 3.076 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccn3C3CC3)c2)CCO1 ZINC001325118086 1387900943 /nfs/dbraw/zinc/90/09/43/1387900943.db2.gz SQJRCOQITVIWKU-QGZVFWFLSA-N 2 1 339.483 3.334 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccn3C3CC3)c2)CCO1 ZINC001325118086 1387900948 /nfs/dbraw/zinc/90/09/48/1387900948.db2.gz SQJRCOQITVIWKU-QGZVFWFLSA-N 2 1 339.483 3.334 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192595218 1367828723 /nfs/dbraw/zinc/82/87/23/1367828723.db2.gz INWCIXWVDHSUOD-QZTJIDSGSA-N 2 1 348.535 3.221 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192595218 1367828727 /nfs/dbraw/zinc/82/87/27/1367828727.db2.gz INWCIXWVDHSUOD-QZTJIDSGSA-N 2 1 348.535 3.221 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001192640558 1367839305 /nfs/dbraw/zinc/83/93/05/1367839305.db2.gz BVSAUBWNXGGQGB-KRWDZBQOSA-N 2 1 348.535 3.366 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001192640558 1367839308 /nfs/dbraw/zinc/83/93/08/1367839308.db2.gz BVSAUBWNXGGQGB-KRWDZBQOSA-N 2 1 348.535 3.366 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1)C(C)C ZINC001192917649 1367904165 /nfs/dbraw/zinc/90/41/65/1367904165.db2.gz PVNTUKRHCANMRJ-MSOLQXFVSA-N 2 1 343.531 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1ccccc1 ZINC001110734213 1367953309 /nfs/dbraw/zinc/95/33/09/1367953309.db2.gz CUCHYTNYKGAKSY-AITUJVMLSA-N 2 1 343.515 3.199 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ccccc1 ZINC001110734213 1367953317 /nfs/dbraw/zinc/95/33/17/1367953317.db2.gz CUCHYTNYKGAKSY-AITUJVMLSA-N 2 1 343.515 3.199 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ccccc1 ZINC001110734213 1367953319 /nfs/dbraw/zinc/95/33/19/1367953319.db2.gz CUCHYTNYKGAKSY-AITUJVMLSA-N 2 1 343.515 3.199 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110748721 1367958761 /nfs/dbraw/zinc/95/87/61/1367958761.db2.gz PWHRBSIWOQHBKO-KURKYZTESA-N 2 1 335.536 3.161 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001110748721 1367958764 /nfs/dbraw/zinc/95/87/64/1367958764.db2.gz PWHRBSIWOQHBKO-KURKYZTESA-N 2 1 335.536 3.161 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001110748721 1367958765 /nfs/dbraw/zinc/95/87/65/1367958765.db2.gz PWHRBSIWOQHBKO-KURKYZTESA-N 2 1 335.536 3.161 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@@H+](C)C[C@H](F)CC)C1 ZINC001193424464 1368027501 /nfs/dbraw/zinc/02/75/01/1368027501.db2.gz MNCFJFGGEGUTRV-MSOLQXFVSA-N 2 1 343.531 3.169 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110886263 1368060041 /nfs/dbraw/zinc/06/00/41/1368060041.db2.gz UMVPLWQQIDZCJB-KURKYZTESA-N 2 1 335.536 3.163 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC2CCCCCC2)C1 ZINC001193600797 1368070679 /nfs/dbraw/zinc/07/06/79/1368070679.db2.gz LXQJDOZNUKGVNN-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC2CCCCCC2)C1 ZINC001193600797 1368070682 /nfs/dbraw/zinc/07/06/82/1368070682.db2.gz LXQJDOZNUKGVNN-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC001193600797 1368070685 /nfs/dbraw/zinc/07/06/85/1368070685.db2.gz LXQJDOZNUKGVNN-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)Cc2ccc(C(C)C)cc2)C1 ZINC001193631510 1368080117 /nfs/dbraw/zinc/08/01/17/1368080117.db2.gz YEXASHIAYICCQR-HXUWFJFHSA-N 2 1 345.531 3.185 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C(C)C)cc2)C1 ZINC001193631510 1368080120 /nfs/dbraw/zinc/08/01/20/1368080120.db2.gz YEXASHIAYICCQR-HXUWFJFHSA-N 2 1 345.531 3.185 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C(C)C)cc2)C1 ZINC001193631510 1368080124 /nfs/dbraw/zinc/08/01/24/1368080124.db2.gz YEXASHIAYICCQR-HXUWFJFHSA-N 2 1 345.531 3.185 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CCC2CCCCCC2)C1 ZINC001193641020 1368082335 /nfs/dbraw/zinc/08/23/35/1368082335.db2.gz HDGDEDMZWCCEGQ-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CCC2CCCCCC2)C1 ZINC001193641020 1368082337 /nfs/dbraw/zinc/08/23/37/1368082337.db2.gz HDGDEDMZWCCEGQ-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CCC2CCCCCC2)C1 ZINC001193641020 1368082344 /nfs/dbraw/zinc/08/23/44/1368082344.db2.gz HDGDEDMZWCCEGQ-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001110934615 1368105126 /nfs/dbraw/zinc/10/51/26/1368105126.db2.gz JNDSDZTZMQKPHI-UXKFTAHHSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001110934615 1368105132 /nfs/dbraw/zinc/10/51/32/1368105132.db2.gz JNDSDZTZMQKPHI-UXKFTAHHSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001110934615 1368105137 /nfs/dbraw/zinc/10/51/37/1368105137.db2.gz JNDSDZTZMQKPHI-UXKFTAHHSA-N 2 1 347.547 3.186 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1)[NH+](C)C ZINC001111036011 1368146264 /nfs/dbraw/zinc/14/62/64/1368146264.db2.gz RAHLHTMPSKZJBM-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001194245752 1368216350 /nfs/dbraw/zinc/21/63/50/1368216350.db2.gz DQJABJSGNIAPFD-GOSISDBHSA-N 2 1 345.531 3.331 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001111261374 1368227917 /nfs/dbraw/zinc/22/79/17/1368227917.db2.gz OJKSSKSEYQJRFH-AQNXPRMDSA-N 2 1 347.547 3.020 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001111460478 1368311969 /nfs/dbraw/zinc/31/19/69/1368311969.db2.gz VOZLZNBHNKSGGE-RLLQIKCJSA-N 2 1 343.515 3.274 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001186405268 1387935145 /nfs/dbraw/zinc/93/51/45/1387935145.db2.gz SNIUWTVCRKNDBZ-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001111777203 1368456894 /nfs/dbraw/zinc/45/68/94/1368456894.db2.gz SZPYBGGUEJRDIE-DYXWJJEUSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001111777203 1368456899 /nfs/dbraw/zinc/45/68/99/1368456899.db2.gz SZPYBGGUEJRDIE-DYXWJJEUSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001111777203 1368456901 /nfs/dbraw/zinc/45/69/01/1368456901.db2.gz SZPYBGGUEJRDIE-DYXWJJEUSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001111816969 1368479614 /nfs/dbraw/zinc/47/96/14/1368479614.db2.gz GZWWYSAYWXMPLC-ZVDOUQERSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001196023758 1368536636 /nfs/dbraw/zinc/53/66/36/1368536636.db2.gz BMCSQIOJDSOYHE-KRWDZBQOSA-N 2 1 343.531 3.027 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC(C)(C)C)C2 ZINC001111926884 1368563693 /nfs/dbraw/zinc/56/36/93/1368563693.db2.gz NVCSLGFSDFSROW-PXNSSMCTSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC(C)(C)C)C2 ZINC001111926884 1368563695 /nfs/dbraw/zinc/56/36/95/1368563695.db2.gz NVCSLGFSDFSROW-PXNSSMCTSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC(C)(C)C)C2 ZINC001111926884 1368563698 /nfs/dbraw/zinc/56/36/98/1368563698.db2.gz NVCSLGFSDFSROW-PXNSSMCTSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947560 1368570565 /nfs/dbraw/zinc/57/05/65/1368570565.db2.gz OPWPLPYNILSJTB-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC001196242406 1368574096 /nfs/dbraw/zinc/57/40/96/1368574096.db2.gz HAWRNFYVUGVBBT-LJQANCHMSA-N 2 1 348.535 3.441 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC001196339590 1368592073 /nfs/dbraw/zinc/59/20/73/1368592073.db2.gz AOXNXWSRZOTMIV-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001196339590 1368592079 /nfs/dbraw/zinc/59/20/79/1368592079.db2.gz AOXNXWSRZOTMIV-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001196339590 1368592083 /nfs/dbraw/zinc/59/20/83/1368592083.db2.gz AOXNXWSRZOTMIV-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001196339590 1368592087 /nfs/dbraw/zinc/59/20/87/1368592087.db2.gz AOXNXWSRZOTMIV-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CCc1ccccc1C[NH+]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001196350545 1368595465 /nfs/dbraw/zinc/59/54/65/1368595465.db2.gz VMAASCKTGPIEBJ-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccccc1C[N@H+]1CCCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001196350545 1368595467 /nfs/dbraw/zinc/59/54/67/1368595467.db2.gz VMAASCKTGPIEBJ-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccccc1C[N@@H+]1CCCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001196350545 1368595471 /nfs/dbraw/zinc/59/54/71/1368595471.db2.gz VMAASCKTGPIEBJ-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001196423490 1368612766 /nfs/dbraw/zinc/61/27/66/1368612766.db2.gz LZDFHAJBXTXXPU-SNAWJCMRSA-N 2 1 340.471 3.229 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CCCCC1)C2 ZINC001112009606 1368613671 /nfs/dbraw/zinc/61/36/71/1368613671.db2.gz LDGYSLNFRMQVSJ-FPOVZHCZSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1CCCCC1)C2 ZINC001112009606 1368613677 /nfs/dbraw/zinc/61/36/77/1368613677.db2.gz LDGYSLNFRMQVSJ-FPOVZHCZSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1CCCCC1)C2 ZINC001112009606 1368613679 /nfs/dbraw/zinc/61/36/79/1368613679.db2.gz LDGYSLNFRMQVSJ-FPOVZHCZSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[N@@H+](CC3CCC(C)(C)CC3)CC2)CC1 ZINC001196953861 1368719551 /nfs/dbraw/zinc/71/95/51/1368719551.db2.gz YLSNOILAXBIZBB-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001197142291 1368753328 /nfs/dbraw/zinc/75/33/28/1368753328.db2.gz WMNQQMMXSYHVCE-GDWUOILNSA-N 2 1 337.552 3.388 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001197330597 1368789535 /nfs/dbraw/zinc/78/95/35/1368789535.db2.gz CCUIWKLUMGJKTR-PHWHVTFISA-N 2 1 335.536 3.142 20 0 EGADMP CCCCCC[N@@H+]1CCCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001197453613 1368817662 /nfs/dbraw/zinc/81/76/62/1368817662.db2.gz IHNCGEKEJONGJR-UHFFFAOYSA-N 2 1 334.508 3.086 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001197453613 1368817666 /nfs/dbraw/zinc/81/76/66/1368817666.db2.gz IHNCGEKEJONGJR-UHFFFAOYSA-N 2 1 334.508 3.086 20 0 EGADMP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001112428461 1368843056 /nfs/dbraw/zinc/84/30/56/1368843056.db2.gz IXTVBZFYLUSMEU-ZJOUEHCJSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001197817014 1368905170 /nfs/dbraw/zinc/90/51/70/1368905170.db2.gz CPXULZFMYGZEAK-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001112514745 1368909141 /nfs/dbraw/zinc/90/91/41/1368909141.db2.gz HEUADSWUTWXWAV-ZJOUEHCJSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001197907478 1368922345 /nfs/dbraw/zinc/92/23/45/1368922345.db2.gz FUYVAODCGTWSCV-IBGZPJMESA-N 2 1 345.531 3.322 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@@H](C)c2ccccc2C)CC1 ZINC001197907478 1368922347 /nfs/dbraw/zinc/92/23/47/1368922347.db2.gz FUYVAODCGTWSCV-IBGZPJMESA-N 2 1 345.531 3.322 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@H+]([C@@H](C)c2ccccc2C)CC1 ZINC001197907478 1368922349 /nfs/dbraw/zinc/92/23/49/1368922349.db2.gz FUYVAODCGTWSCV-IBGZPJMESA-N 2 1 345.531 3.322 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[NH+]([C@@H](C)c2cc(C)ccc2C)CC1 ZINC001197922988 1368924853 /nfs/dbraw/zinc/92/48/53/1368924853.db2.gz YGCJVEZJITXADW-IBGZPJMESA-N 2 1 345.531 3.241 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[N@@H+]([C@@H](C)c2cc(C)ccc2C)CC1 ZINC001197922988 1368924856 /nfs/dbraw/zinc/92/48/56/1368924856.db2.gz YGCJVEZJITXADW-IBGZPJMESA-N 2 1 345.531 3.241 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001198244311 1368987640 /nfs/dbraw/zinc/98/76/40/1368987640.db2.gz WPRZFRWYYWVIDI-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)CC1 ZINC001186605966 1387985552 /nfs/dbraw/zinc/98/55/52/1387985552.db2.gz XJIJKFUWJRJKEX-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001186605966 1387985556 /nfs/dbraw/zinc/98/55/56/1387985556.db2.gz XJIJKFUWJRJKEX-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC001186605966 1387985559 /nfs/dbraw/zinc/98/55/59/1387985559.db2.gz XJIJKFUWJRJKEX-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001200578133 1369393818 /nfs/dbraw/zinc/39/38/18/1369393818.db2.gz MOXIIMRYOZXZSB-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001201044177 1369470559 /nfs/dbraw/zinc/47/05/59/1369470559.db2.gz QVHJTZXFOWBPAY-RURPWVQCSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001201043312 1369470726 /nfs/dbraw/zinc/47/07/26/1369470726.db2.gz BLLFSANFUDRXLJ-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCCc1ccc(C[NH+]2CCN(C(=O)CCCC[NH+](C)C)CC2)cc1 ZINC001113563070 1369495557 /nfs/dbraw/zinc/49/55/57/1369495557.db2.gz AODXFPNSJONIEP-UHFFFAOYSA-N 2 1 345.531 3.015 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001201400805 1369536699 /nfs/dbraw/zinc/53/66/99/1369536699.db2.gz VIONZQHQCPBJQL-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001202656453 1369839707 /nfs/dbraw/zinc/83/97/07/1369839707.db2.gz VWMZNBPQKBLATE-GVDBMIGSSA-N 2 1 341.540 3.390 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001202656453 1369839710 /nfs/dbraw/zinc/83/97/10/1369839710.db2.gz VWMZNBPQKBLATE-GVDBMIGSSA-N 2 1 341.540 3.390 20 0 EGADMP CC(C)CC[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001202763144 1369882377 /nfs/dbraw/zinc/88/23/77/1369882377.db2.gz AXHDHKNPOAQEAT-UHFFFAOYSA-N 2 1 334.508 3.023 20 0 EGADMP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001202764501 1369883062 /nfs/dbraw/zinc/88/30/62/1369883062.db2.gz NZKVVZCIHBKCFE-ZMBJWTFHSA-N 2 1 335.536 3.186 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001186981249 1388035438 /nfs/dbraw/zinc/03/54/38/1388035438.db2.gz LJDLKJYOGJAKOQ-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCC1(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)COC1 ZINC001202936165 1369930299 /nfs/dbraw/zinc/93/02/99/1369930299.db2.gz ITTJMSKMCJELNB-UHFFFAOYSA-N 2 1 347.503 3.148 20 0 EGADMP CCC1(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)COC1 ZINC001202936165 1369930300 /nfs/dbraw/zinc/93/03/00/1369930300.db2.gz ITTJMSKMCJELNB-UHFFFAOYSA-N 2 1 347.503 3.148 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001114403462 1369933734 /nfs/dbraw/zinc/93/37/34/1369933734.db2.gz SMNMEAKZZZYYND-ZGXWSNOMSA-N 2 1 347.547 3.020 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001114403462 1369933737 /nfs/dbraw/zinc/93/37/37/1369933737.db2.gz SMNMEAKZZZYYND-ZGXWSNOMSA-N 2 1 347.547 3.020 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001114403462 1369933740 /nfs/dbraw/zinc/93/37/40/1369933740.db2.gz SMNMEAKZZZYYND-ZGXWSNOMSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203102632 1369984015 /nfs/dbraw/zinc/98/40/15/1369984015.db2.gz ICUZTQJGWGHZRL-IRXDYDNUSA-N 2 1 335.536 3.066 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(CO)cc4)C[C@@H]3C2)cc1 ZINC001203182694 1370014596 /nfs/dbraw/zinc/01/45/96/1370014596.db2.gz DTDLCBLNHSSECJ-VXKWHMMOSA-N 2 1 336.479 3.051 20 0 EGADMP c1coc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001203277287 1370057493 /nfs/dbraw/zinc/05/74/93/1370057493.db2.gz CSDIOOAZKVMPFH-UHFFFAOYSA-N 2 1 326.440 3.147 20 0 EGADMP CC(C)(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203419784 1370118813 /nfs/dbraw/zinc/11/88/13/1370118813.db2.gz NKBDVGKTTBFULQ-SJORKVTESA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203420937 1370118910 /nfs/dbraw/zinc/11/89/10/1370118910.db2.gz XZTXBRUCKQUBQN-MSOLQXFVSA-N 2 1 349.563 3.172 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCCC2)C12CCC2)CC(C)(C)C ZINC001203426797 1370121039 /nfs/dbraw/zinc/12/10/39/1370121039.db2.gz QPTNJEMPGWSRPG-ZWKOTPCHSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2)CC1 ZINC001203443411 1370128729 /nfs/dbraw/zinc/12/87/29/1370128729.db2.gz UBZIOUPRYXBEAP-KRWDZBQOSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203640519 1370196720 /nfs/dbraw/zinc/19/67/20/1370196720.db2.gz CURIFRAZVSLGRD-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1C)C2 ZINC001203700625 1370225512 /nfs/dbraw/zinc/22/55/12/1370225512.db2.gz GVWITKXVIANEGW-RTWAWAEBSA-N 2 1 328.500 3.175 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccc1C)C2 ZINC001203700625 1370225513 /nfs/dbraw/zinc/22/55/13/1370225513.db2.gz GVWITKXVIANEGW-RTWAWAEBSA-N 2 1 328.500 3.175 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1C)C2 ZINC001203700625 1370225516 /nfs/dbraw/zinc/22/55/16/1370225516.db2.gz GVWITKXVIANEGW-RTWAWAEBSA-N 2 1 328.500 3.175 20 0 EGADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001203700121 1370226024 /nfs/dbraw/zinc/22/60/24/1370226024.db2.gz HLVIFYXINBQSEL-IBGZPJMESA-N 2 1 344.499 3.235 20 0 EGADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001203700121 1370226028 /nfs/dbraw/zinc/22/60/28/1370226028.db2.gz HLVIFYXINBQSEL-IBGZPJMESA-N 2 1 344.499 3.235 20 0 EGADMP CC[C@@H]([NH2+]C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1)c1ccc(F)cc1 ZINC001203932891 1370320282 /nfs/dbraw/zinc/32/02/82/1370320282.db2.gz QLTCIIPXJAQZEF-LJQANCHMSA-N 2 1 349.494 3.198 20 0 EGADMP COc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001203952884 1370327589 /nfs/dbraw/zinc/32/75/89/1370327589.db2.gz FJWZZKBQXGVHRU-IRXDYDNUSA-N 2 1 328.481 3.321 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)cc1 ZINC001204265002 1370425956 /nfs/dbraw/zinc/42/59/56/1370425956.db2.gz ZXMRMFDMJDFFNF-ICSRJNTNSA-N 2 1 332.488 3.018 20 0 EGADMP COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(OCCC[NH+](C)C)cc1)C2 ZINC001204268260 1370426817 /nfs/dbraw/zinc/42/68/17/1370426817.db2.gz KFLXBHDAIXFKGW-CTNGQTDRSA-N 2 1 346.515 3.266 20 0 EGADMP CCCOc1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1 ZINC001204305916 1370438398 /nfs/dbraw/zinc/43/83/98/1370438398.db2.gz OLYJHYFWYKFWMM-UHFFFAOYSA-N 2 1 331.460 3.105 20 0 EGADMP Cn1cc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c2ccccc21 ZINC001204319781 1370442708 /nfs/dbraw/zinc/44/27/08/1370442708.db2.gz AXEJXSRFXPBTHJ-UHFFFAOYSA-N 2 1 341.499 3.254 20 0 EGADMP Cn1cc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c2ccccc21 ZINC001204319781 1370442712 /nfs/dbraw/zinc/44/27/12/1370442712.db2.gz AXEJXSRFXPBTHJ-UHFFFAOYSA-N 2 1 341.499 3.254 20 0 EGADMP Cc1nn(C)cc1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001204577689 1370521161 /nfs/dbraw/zinc/52/11/61/1370521161.db2.gz IEDJJPSWIOGSMB-UHFFFAOYSA-N 2 1 326.488 3.073 20 0 EGADMP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001115537014 1370534244 /nfs/dbraw/zinc/53/42/44/1370534244.db2.gz RVVHCPRBZHKWRK-RBUKOAKNSA-N 2 1 347.547 3.070 20 0 EGADMP COc1c(Cl)ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1F ZINC001204734595 1370558324 /nfs/dbraw/zinc/55/83/24/1370558324.db2.gz ABFGNPCXNUNKCF-UHFFFAOYSA-N 2 1 326.843 3.453 20 0 EGADMP COc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(OC)cc1Cl ZINC001204742993 1370561798 /nfs/dbraw/zinc/56/17/98/1370561798.db2.gz WDHDHIWSUYRFMK-UHFFFAOYSA-N 2 1 338.879 3.323 20 0 EGADMP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CCCCC1 ZINC001115563455 1370563208 /nfs/dbraw/zinc/56/32/08/1370563208.db2.gz VWOFXUYVRNABGG-SFHVURJKSA-N 2 1 337.552 3.460 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]CC3CCC3)CCCCC2)C1 ZINC001115571717 1370573807 /nfs/dbraw/zinc/57/38/07/1370573807.db2.gz LYKBWYHLWIRVSY-IBGZPJMESA-N 2 1 349.563 3.173 20 0 EGADMP C[N@@H+](CC(=O)NCC1([NH2+]Cc2ccccc2)CCCCC1)C1CCC1 ZINC001115574521 1370577712 /nfs/dbraw/zinc/57/77/12/1370577712.db2.gz ADSQUOYCIIGQPW-UHFFFAOYSA-N 2 1 343.515 3.080 20 0 EGADMP O=C1CC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)[C@@H]2CCCC[C@@H]12 ZINC001204847968 1370589439 /nfs/dbraw/zinc/58/94/39/1370589439.db2.gz ISXDRROPPDLVTH-RTBURBONSA-N 2 1 337.467 3.078 20 0 EGADMP CCC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCCCC1 ZINC001115608299 1370607040 /nfs/dbraw/zinc/60/70/40/1370607040.db2.gz GTQNDDVQAVGYHZ-UHFFFAOYSA-N 2 1 337.552 3.458 20 0 EGADMP CCOC(=O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC001204945442 1370612465 /nfs/dbraw/zinc/61/24/65/1370612465.db2.gz DJHRIQNTQYCQDB-IEBWSBKVSA-N 2 1 344.499 3.363 20 0 EGADMP CCOC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC001204945442 1370612470 /nfs/dbraw/zinc/61/24/70/1370612470.db2.gz DJHRIQNTQYCQDB-IEBWSBKVSA-N 2 1 344.499 3.363 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc3c(c(OC)c2)NC(C)(C)C=C3)C1 ZINC001205025651 1370632897 /nfs/dbraw/zinc/63/28/97/1370632897.db2.gz AWKVNBWKPAHWRZ-HNNXBMFYSA-N 2 1 329.488 3.344 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc3c(c(OC)c2)NC(C)(C)C=C3)C1 ZINC001205025651 1370632902 /nfs/dbraw/zinc/63/29/02/1370632902.db2.gz AWKVNBWKPAHWRZ-HNNXBMFYSA-N 2 1 329.488 3.344 20 0 EGADMP COc1ccc(-c2ncc(C[N@H+]3CCC[C@@H]([NH3+])CC3)s2)cc1OC ZINC001205110304 1370652702 /nfs/dbraw/zinc/65/27/02/1370652702.db2.gz RFJMFLIUPNECRH-CQSZACIVSA-N 2 1 347.484 3.141 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C[C@H]1C[NH3+] ZINC001205135934 1370660533 /nfs/dbraw/zinc/66/05/33/1370660533.db2.gz IDAUFHJHYKWNPI-MAUKXSAKSA-N 2 1 328.431 3.431 20 0 EGADMP CCCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692562 1370674050 /nfs/dbraw/zinc/67/40/50/1370674050.db2.gz VTFIHSULGADTQT-ROUUACIJSA-N 2 1 337.552 3.316 20 0 EGADMP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692740 1370674164 /nfs/dbraw/zinc/67/41/64/1370674164.db2.gz ZXCMIERVONTLOA-DSQZMVHQSA-N 2 1 349.563 3.482 20 0 EGADMP Cc1cccc(-c2ccc(C[N@H+]3CCC[C@@](O)(C[NH3+])CC3)cn2)c1C ZINC001205248387 1370694872 /nfs/dbraw/zinc/69/48/72/1370694872.db2.gz OXOBGQNXIDAMLC-NRFANRHFSA-N 2 1 339.483 3.041 20 0 EGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c(-c3ccccc3)nc3n2CCS3)CC1 ZINC001205273293 1370703380 /nfs/dbraw/zinc/70/33/80/1370703380.db2.gz JSUVKDMLYZNQAC-LJQANCHMSA-N 2 1 342.512 3.359 20 0 EGADMP C[C@@H]1CC[N@@H+](CCCc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC001205296294 1370710831 /nfs/dbraw/zinc/71/08/31/1370710831.db2.gz KVYBVBYFVDFRKG-UKRRQHHQSA-N 2 1 325.294 3.298 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCC1([NH2+]CCCCCF)CCCCC1 ZINC001115729671 1370711143 /nfs/dbraw/zinc/71/11/43/1370711143.db2.gz OWBVAGXXLBGZFP-KRWDZBQOSA-N 2 1 341.515 3.019 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(-c2ccccc2)cn1 ZINC001205296314 1370711205 /nfs/dbraw/zinc/71/12/05/1370711205.db2.gz LVDMAWDEBBPUEF-FQEVSTJZSA-N 2 1 325.456 3.461 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115730875 1370713994 /nfs/dbraw/zinc/71/39/94/1370713994.db2.gz SVKXLVGCENBAMA-IEBWSBKVSA-N 2 1 347.547 3.093 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115730877 1370714006 /nfs/dbraw/zinc/71/40/06/1370714006.db2.gz SVKXLVGCENBAMA-PKOBYXMFSA-N 2 1 347.547 3.093 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cccc3cc(Br)cnc32)C[C@@H]1C[NH3+] ZINC001205315388 1370718699 /nfs/dbraw/zinc/71/86/99/1370718699.db2.gz FMOQASZGIZRMDU-WFASDCNBSA-N 2 1 348.288 3.414 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205318840 1370721241 /nfs/dbraw/zinc/72/12/41/1370721241.db2.gz XCQOIVSUFMDAIC-GJZGRUSLSA-N 2 1 343.471 3.070 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205318840 1370721244 /nfs/dbraw/zinc/72/12/44/1370721244.db2.gz XCQOIVSUFMDAIC-GJZGRUSLSA-N 2 1 343.471 3.070 20 0 EGADMP CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[N@H+](C)CCC)C2)cc1 ZINC001187298771 1388091317 /nfs/dbraw/zinc/09/13/17/1388091317.db2.gz OHFMCLJDVDLSBL-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2cccc(C)c2)CCCCC1 ZINC001115806440 1370789828 /nfs/dbraw/zinc/78/98/28/1370789828.db2.gz WWPQJEMMXVHRNY-UHFFFAOYSA-N 2 1 345.531 3.246 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(Br)c1 ZINC001205559874 1370790946 /nfs/dbraw/zinc/79/09/46/1370790946.db2.gz WIHFQKNUVYNHAK-HNNXBMFYSA-N 2 1 329.257 3.410 20 0 EGADMP CC(C)[N@H+]1CCOC[C@@]2(CCCN(Cc3ccc4[nH]ccc4c3)C2)C1 ZINC001205570431 1370794940 /nfs/dbraw/zinc/79/49/40/1370794940.db2.gz HROYKETZMQMRTD-OAQYLSRUSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)N1CCOC[C@@]2(CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)C1 ZINC001205570431 1370794945 /nfs/dbraw/zinc/79/49/45/1370794945.db2.gz HROYKETZMQMRTD-OAQYLSRUSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc4[nH]ccc4c3)C2)C1 ZINC001205570431 1370794957 /nfs/dbraw/zinc/79/49/57/1370794957.db2.gz HROYKETZMQMRTD-OAQYLSRUSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc4[nH]ccc4c3)C2)C1 ZINC001205570431 1370794959 /nfs/dbraw/zinc/79/49/59/1370794959.db2.gz HROYKETZMQMRTD-OAQYLSRUSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)C1 ZINC001205570431 1370794964 /nfs/dbraw/zinc/79/49/64/1370794964.db2.gz HROYKETZMQMRTD-OAQYLSRUSA-N 2 1 341.499 3.491 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)C1 ZINC001205570431 1370794971 /nfs/dbraw/zinc/79/49/71/1370794971.db2.gz HROYKETZMQMRTD-OAQYLSRUSA-N 2 1 341.499 3.491 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2F)CC1 ZINC001205570757 1370795695 /nfs/dbraw/zinc/79/56/95/1370795695.db2.gz ODEFJMRPYMPMQI-CQSZACIVSA-N 2 1 338.320 3.377 20 0 EGADMP CCOC(OCC)c1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001205578395 1370797885 /nfs/dbraw/zinc/79/78/85/1370797885.db2.gz AUKYONVXHJSYQJ-LJQANCHMSA-N 2 1 338.467 3.411 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(C(F)(F)F)nc2Cl)CC1 ZINC001205581950 1370799600 /nfs/dbraw/zinc/79/96/00/1370799600.db2.gz VORUOCAGPRGBHU-CYBMUJFWSA-N 2 1 339.764 3.407 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC[C@@H]1C[NH3+] ZINC001205616553 1370811856 /nfs/dbraw/zinc/81/18/56/1370811856.db2.gz GDGQYKLTHFGTOL-NWDGAFQWSA-N 2 1 340.393 3.389 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(Cl)c1OC ZINC001205618686 1370813032 /nfs/dbraw/zinc/81/30/32/1370813032.db2.gz YEJQJQVQJZMNMS-CHWSQXEVSA-N 2 1 326.868 3.164 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205626842 1370816481 /nfs/dbraw/zinc/81/64/81/1370816481.db2.gz JTUHROFWWKDFEL-OLZOCXBDSA-N 2 1 346.393 3.401 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205626841 1370816555 /nfs/dbraw/zinc/81/65/55/1370816555.db2.gz JTUHROFWWKDFEL-CHWSQXEVSA-N 2 1 346.393 3.401 20 0 EGADMP CCOC(=O)c1ccc2c(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)c[nH]c2c1 ZINC001205652667 1370829175 /nfs/dbraw/zinc/82/91/75/1370829175.db2.gz QNBKIGQQUUMRDN-GOEBONIOSA-N 2 1 343.471 3.151 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(F)c(F)c1Cl ZINC001205665422 1370834881 /nfs/dbraw/zinc/83/48/81/1370834881.db2.gz RFNVZCIRMTUVMJ-GHMZBOCLSA-N 2 1 332.822 3.434 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(F)c(F)c1Cl ZINC001205665422 1370834886 /nfs/dbraw/zinc/83/48/86/1370834886.db2.gz RFNVZCIRMTUVMJ-GHMZBOCLSA-N 2 1 332.822 3.434 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(OCc2ccccc2)ccn1 ZINC001205916893 1370910325 /nfs/dbraw/zinc/91/03/25/1370910325.db2.gz WESXPWDVWOSLRH-AEFFLSMTSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(OCc2ccccc2)ccn1 ZINC001205916893 1370910331 /nfs/dbraw/zinc/91/03/31/1370910331.db2.gz WESXPWDVWOSLRH-AEFFLSMTSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cccnc1OCc1ccccc1 ZINC001205922969 1370911956 /nfs/dbraw/zinc/91/19/56/1370911956.db2.gz FTPIXYMOXZZAAE-AEFFLSMTSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccnc1OCc1ccccc1 ZINC001205922969 1370911958 /nfs/dbraw/zinc/91/19/58/1370911958.db2.gz FTPIXYMOXZZAAE-AEFFLSMTSA-N 2 1 325.456 3.220 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[NH+]2CCC[C@@H]2C1 ZINC001116443404 1370913169 /nfs/dbraw/zinc/91/31/69/1370913169.db2.gz TWCZWFMHKNJFPF-HXUWFJFHSA-N 2 1 329.532 3.315 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001116443404 1370913173 /nfs/dbraw/zinc/91/31/73/1370913173.db2.gz TWCZWFMHKNJFPF-HXUWFJFHSA-N 2 1 329.532 3.315 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001116443404 1370913180 /nfs/dbraw/zinc/91/31/80/1370913180.db2.gz TWCZWFMHKNJFPF-HXUWFJFHSA-N 2 1 329.532 3.315 20 0 EGADMP COc1cc(OC)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c2ccccc12 ZINC001205925844 1370913243 /nfs/dbraw/zinc/91/32/43/1370913243.db2.gz ZISWDPYFYBFNGK-HUUCEWRRSA-N 2 1 328.456 3.416 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n(C)n1 ZINC001205940980 1370919391 /nfs/dbraw/zinc/91/93/91/1370919391.db2.gz GVCZHCKWPRIHNW-PMACEKPBSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n(C)n1 ZINC001205940980 1370919394 /nfs/dbraw/zinc/91/93/94/1370919394.db2.gz GVCZHCKWPRIHNW-PMACEKPBSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n(C)n1 ZINC001205940980 1370919397 /nfs/dbraw/zinc/91/93/97/1370919397.db2.gz GVCZHCKWPRIHNW-PMACEKPBSA-N 2 1 338.499 3.073 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001116507719 1370926587 /nfs/dbraw/zinc/92/65/87/1370926587.db2.gz RSLMWRABMYOMDB-UGUYLWEFSA-N 2 1 346.462 3.206 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Br)CCC[C@H]1C[NH3+] ZINC001205994387 1370932829 /nfs/dbraw/zinc/93/28/29/1370932829.db2.gz LJVJNRRDEQDOKV-NEPJUHHUSA-N 2 1 329.257 3.395 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205995847 1370933047 /nfs/dbraw/zinc/93/30/47/1370933047.db2.gz RCKKAOGDMZRWAC-CRAIPNDOSA-N 2 1 326.488 3.296 20 0 EGADMP Cc1nc(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)co1 ZINC001206054153 1370949222 /nfs/dbraw/zinc/94/92/22/1370949222.db2.gz DNUGSJPIFORNEI-GOSISDBHSA-N 2 1 329.444 3.453 20 0 EGADMP Cc1nc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)co1 ZINC001206054153 1370949224 /nfs/dbraw/zinc/94/92/24/1370949224.db2.gz DNUGSJPIFORNEI-GOSISDBHSA-N 2 1 329.444 3.453 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](CCCc2ccccc2Br)CC[C@H]1F ZINC001206157492 1370974696 /nfs/dbraw/zinc/97/46/96/1370974696.db2.gz YZZHLOHZCOERCW-HUUCEWRRSA-N 2 1 329.257 3.143 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](CCCc2ccccc2Br)CC[C@H]1F ZINC001206157492 1370974701 /nfs/dbraw/zinc/97/47/01/1370974701.db2.gz YZZHLOHZCOERCW-HUUCEWRRSA-N 2 1 329.257 3.143 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206210102 1370993212 /nfs/dbraw/zinc/99/32/12/1370993212.db2.gz JZHWJZZETJVUNF-ROUUACIJSA-N 2 1 329.419 3.018 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(Cl)cnc2Br)CC1 ZINC001206318656 1371020087 /nfs/dbraw/zinc/02/00/87/1371020087.db2.gz SMYMCHROJUZUCE-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(Cl)cnc2Br)CC1 ZINC001206318656 1371020089 /nfs/dbraw/zinc/02/00/89/1371020089.db2.gz SMYMCHROJUZUCE-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP Cc1cc(Br)ncc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206317827 1371020123 /nfs/dbraw/zinc/02/01/23/1371020123.db2.gz JLQGTKIBOLXXHT-HNNXBMFYSA-N 2 1 326.282 3.103 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206488680 1371071387 /nfs/dbraw/zinc/07/13/87/1371071387.db2.gz WZLVSAKYZJDUEI-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP [NH3+]CCC1CC[NH+](Cc2ccc(F)c(F)c2Br)CC1 ZINC001206506877 1371077019 /nfs/dbraw/zinc/07/70/19/1371077019.db2.gz UWXRUEPAMQYTPB-UHFFFAOYSA-N 2 1 333.220 3.288 20 0 EGADMP C[N@@H+](Cc1cccc2ccoc21)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001117790213 1371085269 /nfs/dbraw/zinc/08/52/69/1371085269.db2.gz VRXSFXGNEHVWTD-IBGZPJMESA-N 2 1 327.472 3.033 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206548874 1371089735 /nfs/dbraw/zinc/08/97/35/1371089735.db2.gz RUEWYRNRNDKXHU-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@@H+](CCCCNC(=O)OC(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206582939 1371100807 /nfs/dbraw/zinc/10/08/07/1371100807.db2.gz QLKAWBYRSZKOBI-MRXNPFEDSA-N 2 1 327.513 3.144 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206615547 1371109972 /nfs/dbraw/zinc/10/99/72/1371109972.db2.gz IJFUPFUJBANDQF-LBPRGKRZSA-N 2 1 332.366 3.155 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC001206649727 1371119464 /nfs/dbraw/zinc/11/94/64/1371119464.db2.gz YGCQAVMVIREQJI-LLVKDONJSA-N 2 1 338.249 3.151 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC001206649727 1371119467 /nfs/dbraw/zinc/11/94/67/1371119467.db2.gz YGCQAVMVIREQJI-LLVKDONJSA-N 2 1 338.249 3.151 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC001206649728 1371119872 /nfs/dbraw/zinc/11/98/72/1371119872.db2.gz YGCQAVMVIREQJI-NSHDSACASA-N 2 1 338.249 3.151 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC001206649728 1371119878 /nfs/dbraw/zinc/11/98/78/1371119878.db2.gz YGCQAVMVIREQJI-NSHDSACASA-N 2 1 338.249 3.151 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](OCC[NH+]4CCCCC4)[C@@H]3C2)cc1 ZINC001206718063 1371144752 /nfs/dbraw/zinc/14/47/52/1371144752.db2.gz MXTROEQEBNGYPV-PWRODBHTSA-N 2 1 328.500 3.400 20 0 EGADMP COc1cc(C)ccc1CN1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001206747875 1371152021 /nfs/dbraw/zinc/15/20/21/1371152021.db2.gz BMKPWNUYMZBAJM-OAQYLSRUSA-N 2 1 346.515 3.326 20 0 EGADMP CCc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)c1 ZINC001118244192 1371153012 /nfs/dbraw/zinc/15/30/12/1371153012.db2.gz AUFYTDXQNSEHOW-UHFFFAOYSA-N 2 1 337.511 3.286 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206771811 1371160959 /nfs/dbraw/zinc/16/09/59/1371160959.db2.gz XTLDXMNVQFSEEW-VXGBXAGGSA-N 2 1 332.366 3.153 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206771811 1371160962 /nfs/dbraw/zinc/16/09/62/1371160962.db2.gz XTLDXMNVQFSEEW-VXGBXAGGSA-N 2 1 332.366 3.153 20 0 EGADMP OCCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC001118494566 1371189726 /nfs/dbraw/zinc/18/97/26/1371189726.db2.gz ILLXIBVIXMOJCC-LJQANCHMSA-N 2 1 338.495 3.460 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001206952300 1371242220 /nfs/dbraw/zinc/24/22/20/1371242220.db2.gz IVZCOPMPJGMQHP-SFFCAUCYSA-N 2 1 335.536 3.045 20 0 EGADMP C[N@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001207215779 1371331847 /nfs/dbraw/zinc/33/18/47/1371331847.db2.gz BTXPYYFYRFNWBZ-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001207215779 1371331851 /nfs/dbraw/zinc/33/18/51/1371331851.db2.gz BTXPYYFYRFNWBZ-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccccc1N1CCOCC1 ZINC001119450594 1371345618 /nfs/dbraw/zinc/34/56/18/1371345618.db2.gz KUPMGHUMVTZOAW-UHFFFAOYSA-N 2 1 345.531 3.221 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001207279211 1371348173 /nfs/dbraw/zinc/34/81/73/1371348173.db2.gz ISNGLFPVLRVCRT-LJQANCHMSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](C)CC(C)(C)CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001207288203 1371351644 /nfs/dbraw/zinc/35/16/44/1371351644.db2.gz JIXFKIXRCRBXNO-VQTJNVASSA-N 3 1 329.532 3.028 20 0 EGADMP C[N@H+](C1CCOCC1)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC001207348436 1371368299 /nfs/dbraw/zinc/36/82/99/1371368299.db2.gz SZXSOOLLJLNDDB-UHFFFAOYSA-N 2 1 330.463 3.387 20 0 EGADMP C[N@@H+](C1CCOCC1)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC001207348436 1371368318 /nfs/dbraw/zinc/36/83/18/1371368318.db2.gz SZXSOOLLJLNDDB-UHFFFAOYSA-N 2 1 330.463 3.387 20 0 EGADMP C[NH+]1CCC(C[N@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)CC1 ZINC001207397226 1371384196 /nfs/dbraw/zinc/38/41/96/1371384196.db2.gz GRCBPFZFSNYXOX-RTWAWAEBSA-N 2 1 343.515 3.042 20 0 EGADMP Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC[NH+](C)CC1 ZINC001207399784 1371384690 /nfs/dbraw/zinc/38/46/90/1371384690.db2.gz SIWWWZXUMQPBND-REPLKXPHSA-N 2 1 345.535 3.220 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC001207399866 1371384764 /nfs/dbraw/zinc/38/47/64/1371384764.db2.gz XOPHCWNVBQZUOP-VQTJNVASSA-N 2 1 344.499 3.140 20 0 EGADMP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)[N@H+]1CCCC[C@H]1C ZINC001119697887 1371389813 /nfs/dbraw/zinc/38/98/13/1371389813.db2.gz CQEUCEJWQSVVMV-IAGOWNOFSA-N 2 1 347.503 3.258 20 0 EGADMP COc1cccc(CC[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1 ZINC001207426642 1371391453 /nfs/dbraw/zinc/39/14/53/1371391453.db2.gz HXGGQZVWUMXMCW-QZTJIDSGSA-N 2 1 342.508 3.363 20 0 EGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]21 ZINC001207467678 1371404037 /nfs/dbraw/zinc/40/40/37/1371404037.db2.gz HHDFYZSZVKBYJG-RMVXJAJNSA-N 2 1 343.515 3.041 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CCCOC3)C[C@@H]21 ZINC001207467678 1371404043 /nfs/dbraw/zinc/40/40/43/1371404043.db2.gz HHDFYZSZVKBYJG-RMVXJAJNSA-N 2 1 343.515 3.041 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3CCCOC3)C[C@@H]21 ZINC001207467678 1371404044 /nfs/dbraw/zinc/40/40/44/1371404044.db2.gz HHDFYZSZVKBYJG-RMVXJAJNSA-N 2 1 343.515 3.041 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]21 ZINC001207467678 1371404048 /nfs/dbraw/zinc/40/40/48/1371404048.db2.gz HHDFYZSZVKBYJG-RMVXJAJNSA-N 2 1 343.515 3.041 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]21 ZINC001207467678 1371404051 /nfs/dbraw/zinc/40/40/51/1371404051.db2.gz HHDFYZSZVKBYJG-RMVXJAJNSA-N 2 1 343.515 3.041 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H]4CCCOC4)CC[C@@H]3C2)cc1 ZINC001207470369 1371404940 /nfs/dbraw/zinc/40/49/40/1371404940.db2.gz UPWRATJMKHVZJV-NJDAHSKKSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCOC4)CC[C@@H]3C2)cc1 ZINC001207470369 1371404944 /nfs/dbraw/zinc/40/49/44/1371404944.db2.gz UPWRATJMKHVZJV-NJDAHSKKSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCOC4)CC[C@@H]3C2)cc1 ZINC001207470369 1371404946 /nfs/dbraw/zinc/40/49/46/1371404946.db2.gz UPWRATJMKHVZJV-NJDAHSKKSA-N 2 1 328.500 3.257 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)CC1 ZINC001207487063 1371411259 /nfs/dbraw/zinc/41/12/59/1371411259.db2.gz GMJXUIANYBKSLY-NRFANRHFSA-N 2 1 342.483 3.060 20 0 EGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCCc1ccccc1F)C2 ZINC001207495680 1371414307 /nfs/dbraw/zinc/41/43/07/1371414307.db2.gz PVQWJXMZWJGSNA-UHFFFAOYSA-N 2 1 344.478 3.311 20 0 EGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCCc1ccccc1F)C2 ZINC001207495680 1371414313 /nfs/dbraw/zinc/41/43/13/1371414313.db2.gz PVQWJXMZWJGSNA-UHFFFAOYSA-N 2 1 344.478 3.311 20 0 EGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCCc1ccccc1F)C2 ZINC001207495680 1371414317 /nfs/dbraw/zinc/41/43/17/1371414317.db2.gz PVQWJXMZWJGSNA-UHFFFAOYSA-N 2 1 344.478 3.311 20 0 EGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCCc1ccccc1F)C2 ZINC001207495680 1371414319 /nfs/dbraw/zinc/41/43/19/1371414319.db2.gz PVQWJXMZWJGSNA-UHFFFAOYSA-N 2 1 344.478 3.311 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207551160 1371432046 /nfs/dbraw/zinc/43/20/46/1371432046.db2.gz WDKWAWBJZDOOSC-NSISKUIASA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](CCCc2ccc(OC)cc2)CC1 ZINC001207582694 1371442692 /nfs/dbraw/zinc/44/26/92/1371442692.db2.gz PBSXLLHDISWPLO-FQEVSTJZSA-N 2 1 346.515 3.203 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](CCCc2ccc(OC)cc2)CC1 ZINC001207582694 1371442695 /nfs/dbraw/zinc/44/26/95/1371442695.db2.gz PBSXLLHDISWPLO-FQEVSTJZSA-N 2 1 346.515 3.203 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCF)CCCCC1 ZINC001119989138 1371443443 /nfs/dbraw/zinc/44/34/43/1371443443.db2.gz HJMSJOYRLIDGAL-QGZVFWFLSA-N 2 1 341.515 3.019 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207617090 1371453239 /nfs/dbraw/zinc/45/32/39/1371453239.db2.gz MPZOISDXZAPAEZ-KZNAEPCWSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001207617090 1371453240 /nfs/dbraw/zinc/45/32/40/1371453240.db2.gz MPZOISDXZAPAEZ-KZNAEPCWSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001207617090 1371453241 /nfs/dbraw/zinc/45/32/41/1371453241.db2.gz MPZOISDXZAPAEZ-KZNAEPCWSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C\CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120010070 1371453319 /nfs/dbraw/zinc/45/33/19/1371453319.db2.gz KRASCEROWDKSBR-VOFKWLDRSA-N 2 1 349.563 3.483 20 0 EGADMP CC/C=C/CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120010678 1371454288 /nfs/dbraw/zinc/45/42/88/1371454288.db2.gz UHTUTIKUWXCXRQ-WRFKIARRSA-N 2 1 335.536 3.093 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC2CCC3(CC3)CC2)C[C@H]1C ZINC001207749880 1371493048 /nfs/dbraw/zinc/49/30/48/1371493048.db2.gz FSSLNYMQEDLYLH-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@H]1C ZINC001207749880 1371493052 /nfs/dbraw/zinc/49/30/52/1371493052.db2.gz FSSLNYMQEDLYLH-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1C ZINC001207749880 1371493053 /nfs/dbraw/zinc/49/30/53/1371493053.db2.gz FSSLNYMQEDLYLH-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCCCC1 ZINC001120207797 1371504339 /nfs/dbraw/zinc/50/43/39/1371504339.db2.gz GHRFIJMLLNEBAW-IRXDYDNUSA-N 2 1 341.515 3.018 20 0 EGADMP Cc1noc(C)c1C[N@H+]1CCCC12CCN(C[C@@H]1CCCCO1)CC2 ZINC001207958328 1371551309 /nfs/dbraw/zinc/55/13/09/1371551309.db2.gz FCYXYLMBRYMDHZ-SFHVURJKSA-N 2 1 347.503 3.291 20 0 EGADMP Cc1noc(C)c1CN1CCCC12CC[NH+](C[C@@H]1CCCCO1)CC2 ZINC001207958328 1371551312 /nfs/dbraw/zinc/55/13/12/1371551312.db2.gz FCYXYLMBRYMDHZ-SFHVURJKSA-N 2 1 347.503 3.291 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014994 1371569478 /nfs/dbraw/zinc/56/94/78/1371569478.db2.gz VRBMJXRQLTWSTH-MGBKSAOESA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001120459997 1371584456 /nfs/dbraw/zinc/58/44/56/1371584456.db2.gz OMUKOEDPZPBNBZ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](CCCn1cccn1)CC2 ZINC001208077336 1371588879 /nfs/dbraw/zinc/58/88/79/1371588879.db2.gz ZGAKAXJPQKXKCE-IBGZPJMESA-N 2 1 342.487 3.243 20 0 EGADMP COC(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)CC1(C)CC[NH+](C)CC1 ZINC001208112138 1371598939 /nfs/dbraw/zinc/59/89/39/1371598939.db2.gz RMYDKBXJKMGAPV-QGZVFWFLSA-N 2 1 332.488 3.172 20 0 EGADMP C[NH+](C)CC1(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)CCCC1 ZINC001208188269 1371625975 /nfs/dbraw/zinc/62/59/75/1371625975.db2.gz UZOYBQUYYGZGHS-OAHLLOKOSA-N 2 1 336.442 3.134 20 0 EGADMP COc1cccc(O[C@H]2CCC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)n1 ZINC001208187890 1371626227 /nfs/dbraw/zinc/62/62/27/1371626227.db2.gz CRTDUFKQWAWXIZ-KRWDZBQOSA-N 2 1 347.503 3.055 20 0 EGADMP COc1cccc(O[C@H]2CCC[N@@H+](CC3(C[NH+](C)C)CCCC3)C2)n1 ZINC001208187890 1371626266 /nfs/dbraw/zinc/62/62/66/1371626266.db2.gz CRTDUFKQWAWXIZ-KRWDZBQOSA-N 2 1 347.503 3.055 20 0 EGADMP C[NH+](C)CC1(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CCCC1 ZINC001208185729 1371626792 /nfs/dbraw/zinc/62/67/92/1371626792.db2.gz PCKHCZMSYATRQK-UHFFFAOYSA-N 2 1 339.524 3.051 20 0 EGADMP C[NH+](C)CC1(C[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CCCC1 ZINC001208185729 1371626803 /nfs/dbraw/zinc/62/68/03/1371626803.db2.gz PCKHCZMSYATRQK-UHFFFAOYSA-N 2 1 339.524 3.051 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1)c1ccccc1 ZINC001208447019 1371769057 /nfs/dbraw/zinc/76/90/57/1371769057.db2.gz FWPRFOHTYQPNIH-RBUKOAKNSA-N 2 1 345.531 3.449 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208475854 1371782235 /nfs/dbraw/zinc/78/22/35/1371782235.db2.gz ZWEPPPYOYKFVTE-ASIGSXEYSA-N 2 1 335.536 3.044 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC001208592935 1371832586 /nfs/dbraw/zinc/83/25/86/1371832586.db2.gz MMEWEDFYISRTRB-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001208597691 1371835127 /nfs/dbraw/zinc/83/51/27/1371835127.db2.gz KUWMYFUFQSMHGM-IYBDPMFKSA-N 2 1 339.524 3.048 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CC[C@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001208599828 1371836299 /nfs/dbraw/zinc/83/62/99/1371836299.db2.gz CMJJRLJTKHATIA-JOCHJYFZSA-N 2 1 341.543 3.459 20 0 EGADMP CC[NH+]1CCC(CN2CC[C@]3(CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001208599828 1371836304 /nfs/dbraw/zinc/83/63/04/1371836304.db2.gz CMJJRLJTKHATIA-JOCHJYFZSA-N 2 1 341.543 3.459 20 0 EGADMP CC[NH+]1CCC(CN2CC[C@]3(CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001208599828 1371836307 /nfs/dbraw/zinc/83/63/07/1371836307.db2.gz CMJJRLJTKHATIA-JOCHJYFZSA-N 2 1 341.543 3.459 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC001208869158 1371925561 /nfs/dbraw/zinc/92/55/61/1371925561.db2.gz CCEWQRCPAPMUQU-UHFFFAOYSA-N 2 1 332.488 3.214 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](C[C@H]1CCC=CO1)CC2 ZINC001208878462 1371929630 /nfs/dbraw/zinc/92/96/30/1371929630.db2.gz HQAJVYAZJNMFRX-IEBWSBKVSA-N 2 1 346.471 3.028 20 0 EGADMP CC1(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)CCCCC1 ZINC001208895953 1371935925 /nfs/dbraw/zinc/93/59/25/1371935925.db2.gz AUDALNVRBRZKQV-UHFFFAOYSA-N 2 1 330.520 3.307 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001121347941 1371945955 /nfs/dbraw/zinc/94/59/55/1371945955.db2.gz QDAZFBIGOBTTML-MBEFBZSESA-N 2 1 349.563 3.314 20 0 EGADMP C[NH+]1CCC(COc2ccc(F)cc2NC2=CC[N@@H+](C)CC2)CC1 ZINC001208930147 1371949859 /nfs/dbraw/zinc/94/98/59/1371949859.db2.gz ITUVNHXLTFNHCZ-UHFFFAOYSA-N 2 1 333.451 3.178 20 0 EGADMP OC[C@@]1(F)CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208931522 1371950451 /nfs/dbraw/zinc/95/04/51/1371950451.db2.gz KYYDFEKLRCKZDM-VQTJNVASSA-N 2 1 334.479 3.085 20 0 EGADMP OC[C@@]1(F)CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208931522 1371950456 /nfs/dbraw/zinc/95/04/56/1371950456.db2.gz KYYDFEKLRCKZDM-VQTJNVASSA-N 2 1 334.479 3.085 20 0 EGADMP OC[C@@]1(F)CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208931522 1371950469 /nfs/dbraw/zinc/95/04/69/1371950469.db2.gz KYYDFEKLRCKZDM-VQTJNVASSA-N 2 1 334.479 3.085 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](CN3CCC([NH+]4CCCCC4)CC3)C2)cc1 ZINC001208946834 1371959339 /nfs/dbraw/zinc/95/93/39/1371959339.db2.gz IZNUZTYKBVLQCK-NRFANRHFSA-N 2 1 341.543 3.459 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CC[C@@H](Oc4ccncc4)C3)C2)cc1 ZINC001208953497 1371960298 /nfs/dbraw/zinc/96/02/98/1371960298.db2.gz PXIDTPOZTDCOFH-TZIWHRDSSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CC[C@@H](Oc4ccncc4)C3)C2)cc1 ZINC001208953497 1371960301 /nfs/dbraw/zinc/96/03/01/1371960301.db2.gz PXIDTPOZTDCOFH-TZIWHRDSSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CC[C@@H](Oc4ccncc4)C3)C2)cc1 ZINC001208953497 1371960304 /nfs/dbraw/zinc/96/03/04/1371960304.db2.gz PXIDTPOZTDCOFH-TZIWHRDSSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC001208948946 1371961089 /nfs/dbraw/zinc/96/10/89/1371961089.db2.gz UELXZJHKENNSLU-OAQYLSRUSA-N 2 1 335.495 3.331 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC001208948946 1371961093 /nfs/dbraw/zinc/96/10/93/1371961093.db2.gz UELXZJHKENNSLU-OAQYLSRUSA-N 2 1 335.495 3.331 20 0 EGADMP Cc1nnc(C2CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC001208958077 1371961716 /nfs/dbraw/zinc/96/17/16/1371961716.db2.gz NWNCERSAWLEEIS-GOSISDBHSA-N 2 1 340.471 3.080 20 0 EGADMP Cc1nnc(C2CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC001208958077 1371961720 /nfs/dbraw/zinc/96/17/20/1371961720.db2.gz NWNCERSAWLEEIS-GOSISDBHSA-N 2 1 340.471 3.080 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CCC(C)(C)C)C3)CC[N@H+]1C ZINC001121628461 1372030304 /nfs/dbraw/zinc/03/03/04/1372030304.db2.gz NIDXCAVLWUZRSW-NVNACKGYSA-N 2 1 349.563 3.170 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH2+]CCCC3CCCC3)C2)CC[N@H+]1C ZINC001209250723 1372050745 /nfs/dbraw/zinc/05/07/45/1372050745.db2.gz IQUJDESRDMMIII-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCCCNC(=O)OC(C)(C)C)CC1 ZINC001209363571 1372077563 /nfs/dbraw/zinc/07/75/63/1372077563.db2.gz JZANRCHSSQOIRW-UHFFFAOYSA-N 2 1 341.540 3.344 20 0 EGADMP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C[C@H](C)O1 ZINC001209392285 1372088224 /nfs/dbraw/zinc/08/82/24/1372088224.db2.gz YOXAFBWYMJXNIR-RNEMNMTCSA-N 2 1 328.500 3.254 20 0 EGADMP C[C@@H]1C[C@@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H](C)O1 ZINC001209392285 1372088232 /nfs/dbraw/zinc/08/82/32/1372088232.db2.gz YOXAFBWYMJXNIR-RNEMNMTCSA-N 2 1 328.500 3.254 20 0 EGADMP C[C@@H]1C[C@@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H](C)O1 ZINC001209392285 1372088238 /nfs/dbraw/zinc/08/82/38/1372088238.db2.gz YOXAFBWYMJXNIR-RNEMNMTCSA-N 2 1 328.500 3.254 20 0 EGADMP C[C@H]1C[C@H]1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001209414381 1372099552 /nfs/dbraw/zinc/09/95/52/1372099552.db2.gz LVQOJIFOTUWLTQ-FIRPJDEBSA-N 2 1 332.532 3.103 20 0 EGADMP C[C@H]1C[C@H]1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001209414381 1372099556 /nfs/dbraw/zinc/09/95/56/1372099556.db2.gz LVQOJIFOTUWLTQ-FIRPJDEBSA-N 2 1 332.532 3.103 20 0 EGADMP C[C@H]1C[C@H]1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001209414381 1372099558 /nfs/dbraw/zinc/09/95/58/1372099558.db2.gz LVQOJIFOTUWLTQ-FIRPJDEBSA-N 2 1 332.532 3.103 20 0 EGADMP C[C@H]1C[C@@H]1C[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001209417834 1372100373 /nfs/dbraw/zinc/10/03/73/1372100373.db2.gz XGBSVAAUGOUYAK-JKSUJKDBSA-N 2 1 325.456 3.321 20 0 EGADMP C[C@H]1C[C@@H]1C[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001209417834 1372100378 /nfs/dbraw/zinc/10/03/78/1372100378.db2.gz XGBSVAAUGOUYAK-JKSUJKDBSA-N 2 1 325.456 3.321 20 0 EGADMP C[C@H]1C[C@@H]1C[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001209417834 1372100379 /nfs/dbraw/zinc/10/03/79/1372100379.db2.gz XGBSVAAUGOUYAK-JKSUJKDBSA-N 2 1 325.456 3.321 20 0 EGADMP C[C@H]1C[C@@H]1C[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001209417834 1372100382 /nfs/dbraw/zinc/10/03/82/1372100382.db2.gz XGBSVAAUGOUYAK-JKSUJKDBSA-N 2 1 325.456 3.321 20 0 EGADMP CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001121859330 1372105138 /nfs/dbraw/zinc/10/51/38/1372105138.db2.gz DBRPDJHFMGMZPG-QAELIBMJSA-N 2 1 335.536 3.066 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001209477961 1372117388 /nfs/dbraw/zinc/11/73/88/1372117388.db2.gz NEOUNYIEPNYFQF-LDBCMITESA-N 2 1 343.515 3.155 20 0 EGADMP Cn1nc2ccccc2c1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001209540109 1372132083 /nfs/dbraw/zinc/13/20/83/1372132083.db2.gz POTARNQNYNEYCF-DLBZAZTESA-N 2 1 326.488 3.412 20 0 EGADMP Cn1nc2ccccc2c1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001209540109 1372132086 /nfs/dbraw/zinc/13/20/86/1372132086.db2.gz POTARNQNYNEYCF-DLBZAZTESA-N 2 1 326.488 3.412 20 0 EGADMP Cn1nc2ccccc2c1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001209540109 1372132088 /nfs/dbraw/zinc/13/20/88/1372132088.db2.gz POTARNQNYNEYCF-DLBZAZTESA-N 2 1 326.488 3.412 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cc(C)ccc2C)C[C@H]1C ZINC001209642177 1372159964 /nfs/dbraw/zinc/15/99/64/1372159964.db2.gz CITUJQMHYZNDSA-QWFCFKBJSA-N 2 1 345.531 3.143 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122057155 1372164663 /nfs/dbraw/zinc/16/46/63/1372164663.db2.gz WGZYTHHASOSOKU-OZSJIWHNSA-N 2 1 347.547 3.092 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1)CC(C)(C)C ZINC001209688540 1372170353 /nfs/dbraw/zinc/17/03/53/1372170353.db2.gz DBLVQJOTIWUQID-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001209691810 1372171553 /nfs/dbraw/zinc/17/15/53/1372171553.db2.gz YVGQVORHRPNIPK-BLGFXRMMSA-N 2 1 337.552 3.291 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CCC1=CCCCC1)C2 ZINC001122106530 1372175660 /nfs/dbraw/zinc/17/56/60/1372175660.db2.gz LIBQTMJJAGXZJL-UHFFFAOYSA-N 2 1 347.547 3.236 20 0 EGADMP Nc1cc[nH+]cc1C[NH+]1CCC2(CC1)OCc1cc(Cl)ccc12 ZINC001209738437 1372180504 /nfs/dbraw/zinc/18/05/04/1372180504.db2.gz ZTZPNUAUFXCNNV-UHFFFAOYSA-N 2 1 329.831 3.169 20 0 EGADMP O=C(Nc1cccc2c1C[NH2+]C2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001122137401 1372184590 /nfs/dbraw/zinc/18/45/90/1372184590.db2.gz PEHHBTUDWIIAOU-GOSISDBHSA-N 2 1 335.451 3.141 20 0 EGADMP COc1ccc2oc(C[NH+]3CCN(c4cc[nH+]c(C)c4)CC3)cc2c1 ZINC001209775719 1372192485 /nfs/dbraw/zinc/19/24/85/1372192485.db2.gz ZACXPDLNIFYHBT-UHFFFAOYSA-N 2 1 337.423 3.467 20 0 EGADMP [NH3+]Cc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001122433961 1372247188 /nfs/dbraw/zinc/24/71/88/1372247188.db2.gz XSXLEDRJYDGQEL-KRWDZBQOSA-N 2 1 341.430 3.135 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]C[C@@H](C)CC)C1 ZINC001210181062 1372290096 /nfs/dbraw/zinc/29/00/96/1372290096.db2.gz AYOUGIQJRPFJMJ-ZWKOTPCHSA-N 2 1 325.541 3.125 20 0 EGADMP c1ccc(-c2cccnc2Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1 ZINC001210262857 1372308663 /nfs/dbraw/zinc/30/86/63/1372308663.db2.gz SHBYDWDVZPSDPG-UHFFFAOYSA-N 2 1 331.423 3.297 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001210772872 1372424206 /nfs/dbraw/zinc/42/42/06/1372424206.db2.gz CBDPDEMALZKPBT-QRGKHIHXSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001210774322 1372424373 /nfs/dbraw/zinc/42/43/73/1372424373.db2.gz RUJALXNCEJHUHA-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001210797873 1372428806 /nfs/dbraw/zinc/42/88/06/1372428806.db2.gz XOAAINXHNDZDQV-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001210810593 1372430798 /nfs/dbraw/zinc/43/07/98/1372430798.db2.gz AIPHXQJIZONQJQ-ACGJQVIASA-N 2 1 343.515 3.012 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001211256514 1372513315 /nfs/dbraw/zinc/51/33/15/1372513315.db2.gz HXQHTUUSRXWNHN-MGBKSAOESA-N 2 1 335.536 3.188 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211268343 1372516441 /nfs/dbraw/zinc/51/64/41/1372516441.db2.gz IQYPNPOUGVNOLD-WOJBJXKFSA-N 2 1 345.531 3.306 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211374583 1372543176 /nfs/dbraw/zinc/54/31/76/1372543176.db2.gz JORVPMWBPVQGPR-FBYXPACISA-N 2 1 349.563 3.290 20 0 EGADMP CCOc1ccccc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212145015 1372663604 /nfs/dbraw/zinc/66/36/04/1372663604.db2.gz JDPHRZPQKRYIRO-HNNXBMFYSA-N 2 1 332.448 3.303 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc3ccccc3n2)no1 ZINC001212144750 1372663878 /nfs/dbraw/zinc/66/38/78/1372663878.db2.gz BZKGWXQCLLVNGI-HNNXBMFYSA-N 2 1 339.443 3.453 20 0 EGADMP Cc1ncc(Cl)cc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212144666 1372664167 /nfs/dbraw/zinc/66/41/67/1372664167.db2.gz AKSDCWDGJQWFAS-AWEZNQCLSA-N 2 1 337.855 3.262 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(Nc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC001212993754 1372814749 /nfs/dbraw/zinc/81/47/49/1372814749.db2.gz IOTALKQXJBUSOE-UHFFFAOYSA-N 2 1 335.411 3.156 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001214780214 1373117896 /nfs/dbraw/zinc/11/78/96/1373117896.db2.gz PONULPJAKVCGDO-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001127678873 1373159493 /nfs/dbraw/zinc/15/94/93/1373159493.db2.gz FIGCVKRWLVXERW-LSDHHAIUSA-N 2 1 346.450 3.003 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC001215569125 1373213680 /nfs/dbraw/zinc/21/36/80/1373213680.db2.gz VOVLHFNCMWNGTD-IEBWSBKVSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001188150729 1388251008 /nfs/dbraw/zinc/25/10/08/1388251008.db2.gz HIPHKNCOTFPFJU-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001129423870 1373382687 /nfs/dbraw/zinc/38/26/87/1373382687.db2.gz XXXRYQBRBOGTAR-AZUAARDMSA-N 2 1 343.515 3.033 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+][C@@H]1CCc2ccccc21 ZINC001130622542 1373571569 /nfs/dbraw/zinc/57/15/69/1373571569.db2.gz OBMVYBKLZGYAFG-LJQANCHMSA-N 2 1 343.515 3.033 20 0 EGADMP CC[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C)c1ccc(F)cc1 ZINC001130709288 1373583155 /nfs/dbraw/zinc/58/31/55/1373583155.db2.gz ZKVNUGKCQHERED-RBUKOAKNSA-N 2 1 349.494 3.103 20 0 EGADMP CC[C@]1(c2cccc(O[C@@H]3C[C@@H]4C[NH2+]C[C@H]34)c2)CCCC[N@@H+](C)C1 ZINC001218331022 1373598365 /nfs/dbraw/zinc/59/83/65/1373598365.db2.gz PIQXGRBFPITBFM-RCOXNQKVSA-N 2 1 328.500 3.437 20 0 EGADMP C[C@H]1CC[C@H](Oc2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[NH2+]1 ZINC001218395113 1373606439 /nfs/dbraw/zinc/60/64/39/1373606439.db2.gz UCRKNQWGUBWMGQ-LPHOPBHVSA-N 2 1 337.467 3.159 20 0 EGADMP C[C@H]1CC[C@H](Oc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[NH2+]1 ZINC001218395113 1373606444 /nfs/dbraw/zinc/60/64/44/1373606444.db2.gz UCRKNQWGUBWMGQ-LPHOPBHVSA-N 2 1 337.467 3.159 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccc(F)cc1 ZINC001131821754 1373821733 /nfs/dbraw/zinc/82/17/33/1373821733.db2.gz FGRHEALQQSZXEV-INIZCTEOSA-N 2 1 349.494 3.247 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc4c(c3)C[NH2+]CC4)c2C1 ZINC001326688616 1388283334 /nfs/dbraw/zinc/28/33/34/1388283334.db2.gz UYAVDCACAUJCJL-UHFFFAOYSA-N 2 1 335.451 3.310 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)c3ccc4c(c3)C[NH2+]CC4)c2C1 ZINC001326688616 1388283340 /nfs/dbraw/zinc/28/33/40/1388283340.db2.gz UYAVDCACAUJCJL-UHFFFAOYSA-N 2 1 335.451 3.310 20 0 EGADMP CC[N@H+]1CCC[C@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001326740105 1388295526 /nfs/dbraw/zinc/29/55/26/1388295526.db2.gz DNNGBQVGQKNWQC-UXHICEINSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCC[C@H](CN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001326740105 1388295530 /nfs/dbraw/zinc/29/55/30/1388295530.db2.gz DNNGBQVGQKNWQC-UXHICEINSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCC[C@H](CN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001326740105 1388295540 /nfs/dbraw/zinc/29/55/40/1388295540.db2.gz DNNGBQVGQKNWQC-UXHICEINSA-N 2 1 329.532 3.361 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001326740105 1388295547 /nfs/dbraw/zinc/29/55/47/1388295547.db2.gz DNNGBQVGQKNWQC-UXHICEINSA-N 2 1 329.532 3.361 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001326740105 1388295550 /nfs/dbraw/zinc/29/55/50/1388295550.db2.gz DNNGBQVGQKNWQC-UXHICEINSA-N 2 1 329.532 3.361 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001326760329 1388301511 /nfs/dbraw/zinc/30/15/11/1388301511.db2.gz PPPUEWKJSYBIDR-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP FCC[NH+]1CCC(OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001224830498 1375080370 /nfs/dbraw/zinc/08/03/70/1375080370.db2.gz OMEKGLGWHAHDOU-IBGZPJMESA-N 2 1 334.479 3.349 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001225087543 1375092271 /nfs/dbraw/zinc/09/22/71/1375092271.db2.gz HYIBMDLNQYAKTB-GOSISDBHSA-N 2 1 345.531 3.226 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCc2ncc[nH]2)C[N@H+]1CCC1=CCCCC1 ZINC001132024890 1375104528 /nfs/dbraw/zinc/10/45/28/1375104528.db2.gz JPAFASGLPWKJRK-SJLPKXTDSA-N 2 1 344.503 3.202 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CC1CCCCCC1 ZINC001132105554 1375149741 /nfs/dbraw/zinc/14/97/41/1375149741.db2.gz IUJNHYFDFVCGTM-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccccc2C)C1 ZINC001132152858 1375172379 /nfs/dbraw/zinc/17/23/79/1375172379.db2.gz JRHHQNFQISSIDI-MJGOQNOKSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C)C1 ZINC001132152858 1375172381 /nfs/dbraw/zinc/17/23/81/1375172381.db2.gz JRHHQNFQISSIDI-MJGOQNOKSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C)C1 ZINC001132152858 1375172385 /nfs/dbraw/zinc/17/23/85/1375172385.db2.gz JRHHQNFQISSIDI-MJGOQNOKSA-N 2 1 345.531 3.194 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CC(C)(C)C2)C1 ZINC001132153139 1375172528 /nfs/dbraw/zinc/17/25/28/1375172528.db2.gz NRIJMKALRWNPOF-WBVHZDCISA-N 2 1 337.552 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CC(C)(C)C2)C1 ZINC001132153139 1375172531 /nfs/dbraw/zinc/17/25/31/1375172531.db2.gz NRIJMKALRWNPOF-WBVHZDCISA-N 2 1 337.552 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CC(C)(C)C2)C1 ZINC001132153139 1375172534 /nfs/dbraw/zinc/17/25/34/1375172534.db2.gz NRIJMKALRWNPOF-WBVHZDCISA-N 2 1 337.552 3.122 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132212362 1375212718 /nfs/dbraw/zinc/21/27/18/1375212718.db2.gz XFJDQYQDOQBGAG-MSOLQXFVSA-N 2 1 337.552 3.410 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001132214329 1375214095 /nfs/dbraw/zinc/21/40/95/1375214095.db2.gz FTMDPIOBABKKEB-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1C/C=C/c1ccccc1 ZINC001132265560 1375254300 /nfs/dbraw/zinc/25/43/00/1375254300.db2.gz OLOQVTKCFFHRIJ-CNLJBLCWSA-N 2 1 343.515 3.011 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001132265372 1375254462 /nfs/dbraw/zinc/25/44/62/1375254462.db2.gz LTARVLXAPCAYFP-MYOVTOPRSA-N 2 1 347.503 3.280 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001132265372 1375254466 /nfs/dbraw/zinc/25/44/66/1375254466.db2.gz LTARVLXAPCAYFP-MYOVTOPRSA-N 2 1 347.503 3.280 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001226613513 1375292702 /nfs/dbraw/zinc/29/27/02/1375292702.db2.gz JTOMTKXXLYJTPL-AXTJNSDUSA-N 2 1 335.536 3.234 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001132376390 1375339714 /nfs/dbraw/zinc/33/97/14/1375339714.db2.gz MJVGISDMEHFHLL-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC001226890092 1375352599 /nfs/dbraw/zinc/35/25/99/1375352599.db2.gz HWLHUQULSXYWPM-KZNAEPCWSA-N 2 1 349.544 3.140 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC001226889736 1375352945 /nfs/dbraw/zinc/35/29/45/1375352945.db2.gz BJEUDPLOSKIQKY-VAMGGRTRSA-N 2 1 343.515 3.078 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2ccc(C)cc2)C1 ZINC001132435017 1375379486 /nfs/dbraw/zinc/37/94/86/1375379486.db2.gz AHKNKECNPQXTHH-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C)cc2)C1 ZINC001132435017 1375379495 /nfs/dbraw/zinc/37/94/95/1375379495.db2.gz AHKNKECNPQXTHH-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)cc2)C1 ZINC001132435017 1375379502 /nfs/dbraw/zinc/37/95/02/1375379502.db2.gz AHKNKECNPQXTHH-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[N@H+]1CC1CCCC1 ZINC001132492100 1375423909 /nfs/dbraw/zinc/42/39/09/1375423909.db2.gz CEAMGIOCSZEPDH-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132525662 1375441644 /nfs/dbraw/zinc/44/16/44/1375441644.db2.gz TVCGAQMTHVXPDL-RTBURBONSA-N 2 1 337.552 3.412 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001227877429 1375485522 /nfs/dbraw/zinc/48/55/22/1375485522.db2.gz ROQJSSABHQAQMC-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1cc(C[NH+]2CCC(NC(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)cs1 ZINC001227877087 1375486061 /nfs/dbraw/zinc/48/60/61/1375486061.db2.gz NNVNCRLFOLORQV-SFHVURJKSA-N 2 1 349.544 3.012 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+](CCCC2CCCC2)CC1 ZINC001228053891 1375512609 /nfs/dbraw/zinc/51/26/09/1375512609.db2.gz KQTHKTAAXIEOOO-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001228647360 1375626517 /nfs/dbraw/zinc/62/65/17/1375626517.db2.gz RMZSVZDELBZOFW-QZTJIDSGSA-N 2 1 339.568 3.418 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133122981 1375787490 /nfs/dbraw/zinc/78/74/90/1375787490.db2.gz WYNJFWHJNHVXJC-OXUXSNCKSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133141155 1375801971 /nfs/dbraw/zinc/80/19/71/1375801971.db2.gz ASGVYALSPXWHAW-ROUUACIJSA-N 2 1 348.535 3.127 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001188895163 1388403714 /nfs/dbraw/zinc/40/37/14/1388403714.db2.gz GHSXGDVICSWCHT-SLFFLAALSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001188895163 1388403716 /nfs/dbraw/zinc/40/37/16/1388403716.db2.gz GHSXGDVICSWCHT-SLFFLAALSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001188895163 1388403717 /nfs/dbraw/zinc/40/37/17/1388403717.db2.gz GHSXGDVICSWCHT-SLFFLAALSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+]2CC2CCCC2)CC1 ZINC001230617542 1376103215 /nfs/dbraw/zinc/10/32/15/1376103215.db2.gz CMQIWRANAPQTTF-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CCCC2)CC1 ZINC001230617542 1376103220 /nfs/dbraw/zinc/10/32/20/1376103220.db2.gz CMQIWRANAPQTTF-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CCCC2)CC1 ZINC001230617542 1376103223 /nfs/dbraw/zinc/10/32/23/1376103223.db2.gz CMQIWRANAPQTTF-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230631033 1376108647 /nfs/dbraw/zinc/10/86/47/1376108647.db2.gz WZBJRWRCEHVVJN-HCZHMGAMSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001230631033 1376108649 /nfs/dbraw/zinc/10/86/49/1376108649.db2.gz WZBJRWRCEHVVJN-HCZHMGAMSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230631033 1376108650 /nfs/dbraw/zinc/10/86/50/1376108650.db2.gz WZBJRWRCEHVVJN-HCZHMGAMSA-N 2 1 349.563 3.386 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccc(Cl)cc1 ZINC001133917489 1376264535 /nfs/dbraw/zinc/26/45/35/1376264535.db2.gz AEFOCZFIFKHDGQ-AWEZNQCLSA-N 2 1 339.911 3.085 20 0 EGADMP FC(F)(F)c1cnc(Cl)cc1C[N@@H+]1CCc2nccn2CC1 ZINC001231935185 1376356410 /nfs/dbraw/zinc/35/64/10/1376356410.db2.gz TUQNZDLEBJIYGA-UHFFFAOYSA-N 2 1 330.741 3.009 20 0 EGADMP Cc1nnc(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)s1 ZINC001232241794 1376423478 /nfs/dbraw/zinc/42/34/78/1376423478.db2.gz GHEYHEPNHGGANF-INIZCTEOSA-N 2 1 346.500 3.316 20 0 EGADMP Cc1nnc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)s1 ZINC001232241794 1376423481 /nfs/dbraw/zinc/42/34/81/1376423481.db2.gz GHEYHEPNHGGANF-INIZCTEOSA-N 2 1 346.500 3.316 20 0 EGADMP CC[C@@]1(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]C1 ZINC001327207346 1388443384 /nfs/dbraw/zinc/44/33/84/1388443384.db2.gz XSTLLHWTXJISIM-OXJNMPFZSA-N 2 1 329.488 3.389 20 0 EGADMP Cc1ccc(OC(C)C)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001232394657 1376455470 /nfs/dbraw/zinc/45/54/70/1376455470.db2.gz VZSZXXHPUTXEOR-UHFFFAOYSA-N 2 1 325.456 3.499 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)CCCN(C)C(=O)C2([NH+](C)C)CCC2)c1 ZINC001327212537 1388445003 /nfs/dbraw/zinc/44/50/03/1388445003.db2.gz HEBKDRRDYFHCAF-GOSISDBHSA-N 2 1 345.531 3.321 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(Br)[nH]2)CC1 ZINC001232686441 1376502757 /nfs/dbraw/zinc/50/27/57/1376502757.db2.gz DDWZYTNOXODAIH-UHFFFAOYSA-N 2 1 349.276 3.220 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001327213731 1388447160 /nfs/dbraw/zinc/44/71/60/1388447160.db2.gz VGTFMEZSEGZXBP-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@@H](c1cccc(F)c1)[NH+](C)CCCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001327213731 1388447161 /nfs/dbraw/zinc/44/71/61/1388447161.db2.gz VGTFMEZSEGZXBP-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@@H](c1cccc(F)c1)[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001327213731 1388447162 /nfs/dbraw/zinc/44/71/62/1388447162.db2.gz VGTFMEZSEGZXBP-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C ZINC001134773137 1376713235 /nfs/dbraw/zinc/71/32/35/1376713235.db2.gz LSHCMHADIJVRGC-DLBZAZTESA-N 2 1 333.520 3.098 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001134774294 1376714077 /nfs/dbraw/zinc/71/40/77/1376714077.db2.gz XFOPCVXUXXKFFV-SJORKVTESA-N 2 1 333.520 3.098 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21)[NH+](CC)CC ZINC001189110220 1388459920 /nfs/dbraw/zinc/45/99/20/1388459920.db2.gz NIPQGDOZEMAFAE-XUVXKRRUSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234346670 1376815065 /nfs/dbraw/zinc/81/50/65/1376815065.db2.gz ZZQPMBICLJYMJS-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP Fc1ccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235035168 1376832993 /nfs/dbraw/zinc/83/29/93/1376832993.db2.gz CDDLKBLLFXHONL-TZIWHRDSSA-N 2 1 340.442 3.303 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001135028109 1376856263 /nfs/dbraw/zinc/85/62/63/1376856263.db2.gz BQFDAEQITGDYSM-CVEARBPZSA-N 2 1 334.508 3.035 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001135028111 1376856300 /nfs/dbraw/zinc/85/63/00/1376856300.db2.gz BQFDAEQITGDYSM-HZPDHXFCSA-N 2 1 334.508 3.035 20 0 EGADMP Clc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC001235191019 1376857614 /nfs/dbraw/zinc/85/76/14/1376857614.db2.gz NRPWXAYBIBHTST-CVEARBPZSA-N 2 1 327.859 3.443 20 0 EGADMP Clc1ccc(-c2cccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC001235191019 1376857621 /nfs/dbraw/zinc/85/76/21/1376857621.db2.gz NRPWXAYBIBHTST-CVEARBPZSA-N 2 1 327.859 3.443 20 0 EGADMP COc1ccc(-c2ccc(C[N@H+]3CC[C@H](C4C[NH2+]C4)C3)s2)cc1 ZINC001235338727 1376868192 /nfs/dbraw/zinc/86/81/92/1376868192.db2.gz CEANDNGQVPNQMA-HNNXBMFYSA-N 2 1 328.481 3.465 20 0 EGADMP O=C1C[C@@H]2[C@H](CC[N@@H+]2CCC[NH2+]C2CCCCC2)N1c1ccsc1 ZINC001235588788 1376876717 /nfs/dbraw/zinc/87/67/17/1376876717.db2.gz WWBNYKCQODVTIA-ZWKOTPCHSA-N 2 1 347.528 3.240 20 0 EGADMP O=C1C[C@@H]2[C@H](CC[N@H+]2CCC[NH2+]C2CCCCC2)N1c1ccsc1 ZINC001235588788 1376876724 /nfs/dbraw/zinc/87/67/24/1376876724.db2.gz WWBNYKCQODVTIA-ZWKOTPCHSA-N 2 1 347.528 3.240 20 0 EGADMP c1ccc2c(c1)[C@@H]1C[N@@H+](C[C@@H]3CCCC[NH2+]3)C[C@@H]1[C@H]2OCC1CC1 ZINC001235630587 1376879182 /nfs/dbraw/zinc/87/91/82/1376879182.db2.gz DSBIHZKITILWRX-FIRPJDEBSA-N 2 1 326.484 3.325 20 0 EGADMP c1ccc2c(c1)[C@@H]1C[N@H+](C[C@@H]3CCCC[NH2+]3)C[C@@H]1[C@H]2OCC1CC1 ZINC001235630587 1376879185 /nfs/dbraw/zinc/87/91/85/1376879185.db2.gz DSBIHZKITILWRX-FIRPJDEBSA-N 2 1 326.484 3.325 20 0 EGADMP CC[N@@H+](Cc1ccc(OC)c2ccc(OC)cc12)C1CC[NH2+]CC1 ZINC001235765297 1376891362 /nfs/dbraw/zinc/89/13/62/1376891362.db2.gz YVLTWNGPLBZIDX-UHFFFAOYSA-N 2 1 328.456 3.431 20 0 EGADMP COc1cc(OC)c(C[N@@H+](C)C2(C)CC[NH2+]CC2)c2ccccc12 ZINC001236228536 1376942733 /nfs/dbraw/zinc/94/27/33/1376942733.db2.gz VWXUQPJLOBVTFB-UHFFFAOYSA-N 2 1 328.456 3.431 20 0 EGADMP CCC[N@H+](Cc1[nH]nc2cc(C(F)(F)F)ccc21)C[C@@H]1CC[NH2+]C1 ZINC001236843965 1376966142 /nfs/dbraw/zinc/96/61/42/1376966142.db2.gz ODNMKRWAKLDTTC-GFCCVEGCSA-N 2 1 340.393 3.403 20 0 EGADMP CCC[N@@H+](Cc1c(Cl)c2ccccc2[nH]c1=O)C[C@@H]1CC[NH2+]C1 ZINC001236844082 1376967086 /nfs/dbraw/zinc/96/70/86/1376967086.db2.gz SQHIRRAKFRJTMY-CYBMUJFWSA-N 2 1 333.863 3.415 20 0 EGADMP CCC[N@H+](Cc1c(Cl)c2ccccc2[nH]c1=O)C[C@@H]1CC[NH2+]C1 ZINC001236844082 1376967091 /nfs/dbraw/zinc/96/70/91/1376967091.db2.gz SQHIRRAKFRJTMY-CYBMUJFWSA-N 2 1 333.863 3.415 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC001246292179 1377051256 /nfs/dbraw/zinc/05/12/56/1377051256.db2.gz UUEARIBVXOPXGG-TVLUASMKSA-N 3 1 327.516 3.255 20 0 EGADMP C[C@H]1C[C@@H]([N@@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC001246291728 1377051314 /nfs/dbraw/zinc/05/13/14/1377051314.db2.gz UUEARIBVXOPXGG-MEZGBDMJSA-N 3 1 327.516 3.255 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC001246546460 1377051964 /nfs/dbraw/zinc/05/19/64/1377051964.db2.gz GODQDLWYRZIWMM-HOJAQTOUSA-N 3 1 333.495 3.192 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@](F)(C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001246546460 1377051965 /nfs/dbraw/zinc/05/19/65/1377051965.db2.gz GODQDLWYRZIWMM-HOJAQTOUSA-N 3 1 333.495 3.192 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@](F)(C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001246546460 1377051968 /nfs/dbraw/zinc/05/19/68/1377051968.db2.gz GODQDLWYRZIWMM-HOJAQTOUSA-N 3 1 333.495 3.192 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246546460 1377051971 /nfs/dbraw/zinc/05/19/71/1377051971.db2.gz GODQDLWYRZIWMM-HOJAQTOUSA-N 3 1 333.495 3.192 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246546460 1377051974 /nfs/dbraw/zinc/05/19/74/1377051974.db2.gz GODQDLWYRZIWMM-HOJAQTOUSA-N 3 1 333.495 3.192 20 0 EGADMP COc1ccc([C@@H]2C[C@@H]([N@H+]3CCC[C@](F)(C[NH3+])CC3)CCO2)cc1 ZINC001246546392 1377052641 /nfs/dbraw/zinc/05/26/41/1377052641.db2.gz GHMWBKOLBCGKOK-YTQUADARSA-N 2 1 336.451 3.068 20 0 EGADMP CC(C)[C@H]1C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246724978 1377053700 /nfs/dbraw/zinc/05/37/00/1377053700.db2.gz NOKDUCAJICKCRR-HDAAZOAOSA-N 2 1 343.515 3.339 20 0 EGADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246937702 1377055887 /nfs/dbraw/zinc/05/58/87/1377055887.db2.gz BULPKFNSCDIVNX-BMFZPTHFSA-N 2 1 342.405 3.448 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CCCc1ccc(C)cc1 ZINC001135436910 1377096576 /nfs/dbraw/zinc/09/65/76/1377096576.db2.gz FVWCCAASPYSNTL-UHFFFAOYSA-N 2 1 347.547 3.146 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccccc1C1CC1 ZINC001135437841 1377097766 /nfs/dbraw/zinc/09/77/66/1377097766.db2.gz YRSGCFDTSNXELS-UHFFFAOYSA-N 2 1 345.531 3.282 20 0 EGADMP Cc1cc(F)cc(CN2CCC([NH2+][C@@H]3CCC[N@H+](C)CC3)CC2)c1 ZINC001254510506 1377105196 /nfs/dbraw/zinc/10/51/96/1377105196.db2.gz XENFLZFPAMMEME-LJQANCHMSA-N 2 1 333.495 3.172 20 0 EGADMP C[N@@H+]([C@@H]1CCC[NH+](C)CC1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001254528956 1377106731 /nfs/dbraw/zinc/10/67/31/1377106731.db2.gz BJIKPQNGHWLNGE-MRXNPFEDSA-N 2 1 339.524 3.192 20 0 EGADMP C[NH+]([C@@H]1CCC[N@H+](C)CC1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001254528956 1377106740 /nfs/dbraw/zinc/10/67/40/1377106740.db2.gz BJIKPQNGHWLNGE-MRXNPFEDSA-N 2 1 339.524 3.192 20 0 EGADMP C[NH+]([C@@H]1CCC[N@@H+](C)CC1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001254528956 1377106749 /nfs/dbraw/zinc/10/67/49/1377106749.db2.gz BJIKPQNGHWLNGE-MRXNPFEDSA-N 2 1 339.524 3.192 20 0 EGADMP CC(C)CC[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001256365825 1377111946 /nfs/dbraw/zinc/11/19/46/1377111946.db2.gz UAYWZQVWXZUNKX-YRPNKDGESA-N 2 1 347.551 3.276 20 0 EGADMP CC(C)CC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001256365825 1377111948 /nfs/dbraw/zinc/11/19/48/1377111948.db2.gz UAYWZQVWXZUNKX-YRPNKDGESA-N 2 1 347.551 3.276 20 0 EGADMP CC(C)CC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001256365825 1377111949 /nfs/dbraw/zinc/11/19/49/1377111949.db2.gz UAYWZQVWXZUNKX-YRPNKDGESA-N 2 1 347.551 3.276 20 0 EGADMP CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678064 1377180913 /nfs/dbraw/zinc/18/09/13/1377180913.db2.gz BCLFWKACGPTTHH-KGVXHEBISA-N 2 1 334.508 3.201 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001135860900 1377238181 /nfs/dbraw/zinc/23/81/81/1377238181.db2.gz IWRSGCOORCUZAV-RBUKOAKNSA-N 2 1 347.547 3.142 20 0 EGADMP Cc1cc(C)c(C[N@@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C)c(C)c1 ZINC001266326983 1377274296 /nfs/dbraw/zinc/27/42/96/1377274296.db2.gz SURCZMZGYTVDPR-UHFFFAOYSA-N 2 1 347.547 3.138 20 0 EGADMP Cc1cc(C)c(C[NH+](C)CCNC(=O)C[N@H+](C)CC(C)(C)C)c(C)c1 ZINC001266326983 1377274297 /nfs/dbraw/zinc/27/42/97/1377274297.db2.gz SURCZMZGYTVDPR-UHFFFAOYSA-N 2 1 347.547 3.138 20 0 EGADMP Cc1cc(C)c(C[NH+](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C)c(C)c1 ZINC001266326983 1377274299 /nfs/dbraw/zinc/27/42/99/1377274299.db2.gz SURCZMZGYTVDPR-UHFFFAOYSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NCC[N@H+](C)[C@@H](C)c2ccccc2F)CC1 ZINC001266343806 1377282903 /nfs/dbraw/zinc/28/29/03/1377282903.db2.gz AIUPQSSPHJVHCX-INIZCTEOSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@@H](C)c2ccccc2F)CC1 ZINC001266343806 1377282909 /nfs/dbraw/zinc/28/29/09/1377282909.db2.gz AIUPQSSPHJVHCX-INIZCTEOSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135974478 1377283778 /nfs/dbraw/zinc/28/37/78/1377283778.db2.gz PUMLREWVBKHZFW-RTBURBONSA-N 2 1 347.547 3.408 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001135977779 1377285153 /nfs/dbraw/zinc/28/51/53/1377285153.db2.gz YWCJBNISROXVFH-ROUUACIJSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001135980658 1377285708 /nfs/dbraw/zinc/28/57/08/1377285708.db2.gz REXJHLHDDIZXLG-CABCVRRESA-N 2 1 339.911 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC001135980515 1377285995 /nfs/dbraw/zinc/28/59/95/1377285995.db2.gz PIXLMJPTRHCTHB-UONOGXRCSA-N 2 1 339.549 3.080 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135981131 1377286047 /nfs/dbraw/zinc/28/60/47/1377286047.db2.gz YOACEWUNNKLUFN-QZTJIDSGSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001135980273 1377286272 /nfs/dbraw/zinc/28/62/72/1377286272.db2.gz MOVADUUYJGBBFN-DLBZAZTESA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135980300 1377286511 /nfs/dbraw/zinc/28/65/11/1377286511.db2.gz NGRMFVFWABEAHK-SJORKVTESA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1CC ZINC001135992892 1377291162 /nfs/dbraw/zinc/29/11/62/1377291162.db2.gz WDMPRIHSOYSFKC-ZWKOTPCHSA-N 2 1 347.547 3.354 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(CC)cc1 ZINC001135996356 1377292189 /nfs/dbraw/zinc/29/21/89/1377292189.db2.gz RSIBTRWGNSBJQF-ROUUACIJSA-N 2 1 347.547 3.354 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CC[NH2+]C(C)(C)C)C1 ZINC001136223926 1377365775 /nfs/dbraw/zinc/36/57/75/1377365775.db2.gz ZFXDVWDTZRURHK-KRWDZBQOSA-N 2 1 345.531 3.313 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CCC[NH+]1CC1CCC(C)(C)CC1)C1CCC1 ZINC001267271148 1377436028 /nfs/dbraw/zinc/43/60/28/1377436028.db2.gz ZUJMWIDMCQAFQW-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCC[N@@H+]1CC1CCC(C)(C)CC1)C1CCC1 ZINC001267271148 1377436030 /nfs/dbraw/zinc/43/60/30/1377436030.db2.gz ZUJMWIDMCQAFQW-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCC[N@H+]1CC1CCC(C)(C)CC1)C1CCC1 ZINC001267271148 1377436033 /nfs/dbraw/zinc/43/60/33/1377436033.db2.gz ZUJMWIDMCQAFQW-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC)CCN1CC[NH+](Cc2ccc3cc(C)ccc3n2)CC1 ZINC001137209582 1377497117 /nfs/dbraw/zinc/49/71/17/1377497117.db2.gz KXYNMZJVGWBYDW-UHFFFAOYSA-N 2 1 340.515 3.003 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC001137282825 1377510026 /nfs/dbraw/zinc/51/00/26/1377510026.db2.gz MWAFZSUANLZDFI-UHFFFAOYSA-N 2 1 340.515 3.084 20 0 EGADMP c1[nH]c2ncccc2c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001137403685 1377541353 /nfs/dbraw/zinc/54/13/53/1377541353.db2.gz YAOLLKGPIKLSKD-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP c1[nH]c2ncccc2c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001137403685 1377541354 /nfs/dbraw/zinc/54/13/54/1377541354.db2.gz YAOLLKGPIKLSKD-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP c1[nH]c2ncccc2c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001137403685 1377541355 /nfs/dbraw/zinc/54/13/55/1377541355.db2.gz YAOLLKGPIKLSKD-KDURUIRLSA-N 2 1 332.451 3.127 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccc5nccnc45)C[C@@H]3C2)cc1 ZINC001138304337 1377699169 /nfs/dbraw/zinc/69/91/69/1377699169.db2.gz KMUJOASANADZIM-PMACEKPBSA-N 2 1 344.462 3.194 20 0 EGADMP CCCCc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)s1 ZINC001138755868 1377780630 /nfs/dbraw/zinc/78/06/30/1377780630.db2.gz JLPYUFQRSFRXQO-RBUKOAKNSA-N 2 1 335.561 3.301 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@](CF)(C(F)(F)F)C2)cc1 ZINC001138768695 1377782348 /nfs/dbraw/zinc/78/23/48/1377782348.db2.gz BQOZDZATEZFGRC-INIZCTEOSA-N 2 1 348.384 3.351 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC001138772037 1377782380 /nfs/dbraw/zinc/78/23/80/1377782380.db2.gz DNKPKABXQPRMMM-IBGZPJMESA-N 2 1 325.456 3.012 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC001140165245 1378024333 /nfs/dbraw/zinc/02/43/33/1378024333.db2.gz PAIVWQMYJGRXCP-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001140165245 1378024334 /nfs/dbraw/zinc/02/43/34/1378024334.db2.gz PAIVWQMYJGRXCP-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001140165245 1378024335 /nfs/dbraw/zinc/02/43/35/1378024335.db2.gz PAIVWQMYJGRXCP-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001140165245 1378024336 /nfs/dbraw/zinc/02/43/36/1378024336.db2.gz PAIVWQMYJGRXCP-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001140165245 1378024337 /nfs/dbraw/zinc/02/43/37/1378024337.db2.gz PAIVWQMYJGRXCP-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccncc1O)CC2 ZINC001140274863 1378039072 /nfs/dbraw/zinc/03/90/72/1378039072.db2.gz NYLPPNWPFQIPNB-IBGZPJMESA-N 2 1 341.455 3.257 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccncc1O)CC2 ZINC001140274863 1378039073 /nfs/dbraw/zinc/03/90/73/1378039073.db2.gz NYLPPNWPFQIPNB-IBGZPJMESA-N 2 1 341.455 3.257 20 0 EGADMP FC(F)(F)CCC[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275166500 1378137263 /nfs/dbraw/zinc/13/72/63/1378137263.db2.gz YQHLVESIPBKESK-UHFFFAOYSA-N 2 1 330.398 3.040 20 0 EGADMP C[NH+]1CCC2(C[NH+](Cc3ccc(OC(F)(F)F)c(F)c3)C2)CC1 ZINC001140887882 1378169997 /nfs/dbraw/zinc/16/99/97/1378169997.db2.gz JWVYRWSJAZTBFP-UHFFFAOYSA-N 2 1 332.341 3.252 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)c1 ZINC001276577083 1378180441 /nfs/dbraw/zinc/18/04/41/1378180441.db2.gz SSJDBZCCPIDXAJ-SFTDATJTSA-N 2 1 345.506 3.479 20 0 EGADMP Cn1ccc(-c2ccc(C[N@H+]3CCC[C@@]4(CCC[NH+](C)C4)C3)cc2)n1 ZINC001277254626 1378213228 /nfs/dbraw/zinc/21/32/28/1378213228.db2.gz VKLAGQLMLLZRNC-OAQYLSRUSA-N 2 1 338.499 3.395 20 0 EGADMP Cn1ccc(-c2ccc(C[NH+]3CCC[C@@]4(CCC[N@H+](C)C4)C3)cc2)n1 ZINC001277254626 1378213232 /nfs/dbraw/zinc/21/32/32/1378213232.db2.gz VKLAGQLMLLZRNC-OAQYLSRUSA-N 2 1 338.499 3.395 20 0 EGADMP Cn1ccc(-c2ccc(C[NH+]3CCC[C@@]4(CCC[N@@H+](C)C4)C3)cc2)n1 ZINC001277254626 1378213239 /nfs/dbraw/zinc/21/32/39/1378213239.db2.gz VKLAGQLMLLZRNC-OAQYLSRUSA-N 2 1 338.499 3.395 20 0 EGADMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1c3ccoc3ccc1F)C2 ZINC001278173688 1378260978 /nfs/dbraw/zinc/26/09/78/1378260978.db2.gz RCAYXVKLCIPKJR-UHFFFAOYSA-N 2 1 345.462 3.031 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001278450657 1378271776 /nfs/dbraw/zinc/27/17/76/1378271776.db2.gz RTKWSPIEPQVTLT-AZUAARDMSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(F)cc3c2OCOC3)CC1 ZINC001141396332 1378317675 /nfs/dbraw/zinc/31/76/75/1378317675.db2.gz KGHPGOBWFZVQFS-UHFFFAOYSA-N 2 1 336.451 3.244 20 0 EGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OC4CCOCC4)cc3)C[C@H]2C1 ZINC001141418143 1378321798 /nfs/dbraw/zinc/32/17/98/1378321798.db2.gz NMVUTTXHXGJJOR-RTBURBONSA-N 2 1 344.499 3.018 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cnc(C(F)(F)F)nc1 ZINC001141465022 1378328829 /nfs/dbraw/zinc/32/88/29/1378328829.db2.gz UPGYZEXVTBCRBK-GJZGRUSLSA-N 2 1 342.409 3.334 20 0 EGADMP COC(=O)Cc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001142908710 1378507911 /nfs/dbraw/zinc/50/79/11/1378507911.db2.gz HZSXWPTWGWYDLW-VQTJNVASSA-N 2 1 344.499 3.241 20 0 EGADMP COC(=O)Cc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001142908710 1378507912 /nfs/dbraw/zinc/50/79/12/1378507912.db2.gz HZSXWPTWGWYDLW-VQTJNVASSA-N 2 1 344.499 3.241 20 0 EGADMP COC(=O)Cc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cc1 ZINC001142908710 1378507914 /nfs/dbraw/zinc/50/79/14/1378507914.db2.gz HZSXWPTWGWYDLW-VQTJNVASSA-N 2 1 344.499 3.241 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CCCCC[NH+]1CCC1CCCC1)C1CCC1 ZINC001282667953 1378541219 /nfs/dbraw/zinc/54/12/19/1378541219.db2.gz SVGADCQFADALBU-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CCCC1)C1CCC1 ZINC001282667953 1378541221 /nfs/dbraw/zinc/54/12/21/1378541221.db2.gz SVGADCQFADALBU-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCCC[N@H+]1CCC1CCCC1)C1CCC1 ZINC001282667953 1378541223 /nfs/dbraw/zinc/54/12/23/1378541223.db2.gz SVGADCQFADALBU-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP Oc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC001144269258 1378708144 /nfs/dbraw/zinc/70/81/44/1378708144.db2.gz IHJIVZAMMVVSAV-RTBURBONSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC001144269258 1378708145 /nfs/dbraw/zinc/70/81/45/1378708145.db2.gz IHJIVZAMMVVSAV-RTBURBONSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC001144269258 1378708146 /nfs/dbraw/zinc/70/81/46/1378708146.db2.gz IHJIVZAMMVVSAV-RTBURBONSA-N 2 1 337.467 3.131 20 0 EGADMP CN(CC[NH+](C)CCCC(C)(C)C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001753855428 1440508539 /nfs/dbraw/zinc/50/85/39/1440508539.db2.gz XTQNUDMDLYGVLQ-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC/C=C/c1ccccc1 ZINC001146590867 1378873623 /nfs/dbraw/zinc/87/36/23/1378873623.db2.gz CNILUNFEIGXFRW-AMVALYDKSA-N 2 1 345.531 3.303 20 0 EGADMP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001146593824 1378874070 /nfs/dbraw/zinc/87/40/70/1378874070.db2.gz QLIVWWIJMJJBDY-ZWKOTPCHSA-N 2 1 333.520 3.017 20 0 EGADMP Cc1ccccc1CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146601651 1378875794 /nfs/dbraw/zinc/87/57/94/1378875794.db2.gz NMCHLBRQCDFABE-OALUTQOASA-N 2 1 347.547 3.141 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001146602357 1378876037 /nfs/dbraw/zinc/87/60/37/1378876037.db2.gz SITYRBUWBOMEFF-DLBZAZTESA-N 2 1 337.552 3.170 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(C)ccc1C ZINC001147348923 1379007310 /nfs/dbraw/zinc/00/73/10/1379007310.db2.gz JVVDVTMTYGKBLT-HXUWFJFHSA-N 2 1 345.531 3.164 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(CF)cc1 ZINC001147359531 1379009018 /nfs/dbraw/zinc/00/90/18/1379009018.db2.gz RCWKXRNKZUOOAR-IBGZPJMESA-N 2 1 349.494 3.017 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC001283676855 1379104610 /nfs/dbraw/zinc/10/46/10/1379104610.db2.gz FUOVFCQGXIFORX-SJORKVTESA-N 2 1 342.487 3.204 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284912 1379145296 /nfs/dbraw/zinc/14/52/96/1379145296.db2.gz JHJDKPUQSKFQGL-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCCC1CCC1)C2)[NH+](CC)CC ZINC001148284851 1379145342 /nfs/dbraw/zinc/14/53/42/1379145342.db2.gz HKTMBGTYXIONOO-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCC1CCCC1)C2)[NH+](CC)CC ZINC001148286338 1379146025 /nfs/dbraw/zinc/14/60/25/1379146025.db2.gz WTOWPLITIUBOQB-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CCC[N@H+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148390057 1379162627 /nfs/dbraw/zinc/16/26/27/1379162627.db2.gz ARCKSWULEYIEPC-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001148605752 1379224168 /nfs/dbraw/zinc/22/41/68/1379224168.db2.gz UDXWEMRWUGERNN-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CC(C)C)C2 ZINC001148833566 1379279028 /nfs/dbraw/zinc/27/90/28/1379279028.db2.gz ALNPLSHLFYCIEI-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)CC(C)C)C2 ZINC001148833566 1379279031 /nfs/dbraw/zinc/27/90/31/1379279031.db2.gz ALNPLSHLFYCIEI-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)CC(C)C)C2 ZINC001148833566 1379279034 /nfs/dbraw/zinc/27/90/34/1379279034.db2.gz ALNPLSHLFYCIEI-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001148833851 1379279643 /nfs/dbraw/zinc/27/96/43/1379279643.db2.gz NZUQGNHLJVSCFH-GHOSXJJBSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001148833851 1379279645 /nfs/dbraw/zinc/27/96/45/1379279645.db2.gz NZUQGNHLJVSCFH-GHOSXJJBSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001148833851 1379279647 /nfs/dbraw/zinc/27/96/47/1379279647.db2.gz NZUQGNHLJVSCFH-GHOSXJJBSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148900110 1379293996 /nfs/dbraw/zinc/29/39/96/1379293996.db2.gz RSPLBCPENGXPAV-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC001149140459 1379332891 /nfs/dbraw/zinc/33/28/91/1379332891.db2.gz WGIWYGYWYUPFCV-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001149140459 1379332899 /nfs/dbraw/zinc/33/28/99/1379332899.db2.gz WGIWYGYWYUPFCV-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001149140459 1379332904 /nfs/dbraw/zinc/33/29/04/1379332904.db2.gz WGIWYGYWYUPFCV-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP Fc1cccc(-c2noc([C@H]3CCC[N@@H+](C[C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC001327865894 1388609506 /nfs/dbraw/zinc/60/95/06/1388609506.db2.gz VNAPMHJOOYYSAW-HOCLYGCPSA-N 2 1 344.434 3.055 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313440 1380053501 /nfs/dbraw/zinc/05/35/01/1380053501.db2.gz QVVZXSFYAYIXLK-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153313440 1380053505 /nfs/dbraw/zinc/05/35/05/1380053505.db2.gz QVVZXSFYAYIXLK-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153313440 1380053510 /nfs/dbraw/zinc/05/35/10/1380053510.db2.gz QVVZXSFYAYIXLK-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313886 1380053854 /nfs/dbraw/zinc/05/38/54/1380053854.db2.gz YZESJZNCIXFBKP-VQIMIIECSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](Cc1cccc(F)c1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153313886 1380053856 /nfs/dbraw/zinc/05/38/56/1380053856.db2.gz YZESJZNCIXFBKP-VQIMIIECSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](Cc1cccc(F)c1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153313886 1380053858 /nfs/dbraw/zinc/05/38/58/1380053858.db2.gz YZESJZNCIXFBKP-VQIMIIECSA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313494 1380054343 /nfs/dbraw/zinc/05/43/43/1380054343.db2.gz SZNZOPMUXYRUFX-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CCCC1CCC1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153313494 1380054347 /nfs/dbraw/zinc/05/43/47/1380054347.db2.gz SZNZOPMUXYRUFX-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CCCC1CCC1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153313494 1380054348 /nfs/dbraw/zinc/05/43/48/1380054348.db2.gz SZNZOPMUXYRUFX-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1CCC[C@H](CC[NH2+]CCNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001153321032 1380055224 /nfs/dbraw/zinc/05/52/24/1380055224.db2.gz SLBXOARBKDHKSX-RTBURBONSA-N 2 1 345.531 3.041 20 0 EGADMP C[C@@H]1CCC[C@H](CC[NH2+]CCNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001153321032 1380055229 /nfs/dbraw/zinc/05/52/29/1380055229.db2.gz SLBXOARBKDHKSX-RTBURBONSA-N 2 1 345.531 3.041 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153393017 1380069508 /nfs/dbraw/zinc/06/95/08/1380069508.db2.gz GOBPAMXJYAWMNG-QGZVFWFLSA-N 2 1 325.541 3.124 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001153653687 1380110749 /nfs/dbraw/zinc/11/07/49/1380110749.db2.gz AJMWODJAXIAHKB-HGFSOSMJSA-N 2 1 343.531 3.239 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1cccc(F)c1 ZINC001153720740 1380119096 /nfs/dbraw/zinc/11/90/96/1380119096.db2.gz OCQRAENYPMQYPV-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(F)c1 ZINC001153720740 1380119098 /nfs/dbraw/zinc/11/90/98/1380119098.db2.gz OCQRAENYPMQYPV-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(F)c1 ZINC001153720740 1380119099 /nfs/dbraw/zinc/11/90/99/1380119099.db2.gz OCQRAENYPMQYPV-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001153802522 1380132531 /nfs/dbraw/zinc/13/25/31/1380132531.db2.gz JOYCFDSVGZBOQO-QUCCMNQESA-N 2 1 349.563 3.291 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001153802522 1380132533 /nfs/dbraw/zinc/13/25/33/1380132533.db2.gz JOYCFDSVGZBOQO-QUCCMNQESA-N 2 1 349.563 3.291 20 0 EGADMP CC[NH+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001153802522 1380132535 /nfs/dbraw/zinc/13/25/35/1380132535.db2.gz JOYCFDSVGZBOQO-QUCCMNQESA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153819002 1380136161 /nfs/dbraw/zinc/13/61/61/1380136161.db2.gz JWFKOCIZKBAQBI-HKVOBHHDSA-N 2 1 337.552 3.432 20 0 EGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001153819002 1380136162 /nfs/dbraw/zinc/13/61/62/1380136162.db2.gz JWFKOCIZKBAQBI-HKVOBHHDSA-N 2 1 337.552 3.432 20 0 EGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001153819002 1380136163 /nfs/dbraw/zinc/13/61/63/1380136163.db2.gz JWFKOCIZKBAQBI-HKVOBHHDSA-N 2 1 337.552 3.432 20 0 EGADMP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854749 1380144474 /nfs/dbraw/zinc/14/44/74/1380144474.db2.gz URBQMUVZOGGRAP-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153854749 1380144475 /nfs/dbraw/zinc/14/44/75/1380144475.db2.gz URBQMUVZOGGRAP-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153854749 1380144477 /nfs/dbraw/zinc/14/44/77/1380144477.db2.gz URBQMUVZOGGRAP-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154034202 1380187391 /nfs/dbraw/zinc/18/73/91/1380187391.db2.gz VODZNJUEPRZVIO-ADRWGQEASA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154034202 1380187394 /nfs/dbraw/zinc/18/73/94/1380187394.db2.gz VODZNJUEPRZVIO-ADRWGQEASA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154034202 1380187397 /nfs/dbraw/zinc/18/73/97/1380187397.db2.gz VODZNJUEPRZVIO-ADRWGQEASA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1c(C)cccc1C ZINC001154070295 1380198565 /nfs/dbraw/zinc/19/85/65/1380198565.db2.gz XUIRCUJNVCPPPJ-GOSISDBHSA-N 2 1 347.547 3.360 20 0 EGADMP CC[NH+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154070295 1380198569 /nfs/dbraw/zinc/19/85/69/1380198569.db2.gz XUIRCUJNVCPPPJ-GOSISDBHSA-N 2 1 347.547 3.360 20 0 EGADMP CC[NH+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154070295 1380198573 /nfs/dbraw/zinc/19/85/73/1380198573.db2.gz XUIRCUJNVCPPPJ-GOSISDBHSA-N 2 1 347.547 3.360 20 0 EGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099928 1380207645 /nfs/dbraw/zinc/20/76/45/1380207645.db2.gz VAKKIQMJCGHUEO-QGZVFWFLSA-N 2 1 337.552 3.432 20 0 EGADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001154099928 1380207648 /nfs/dbraw/zinc/20/76/48/1380207648.db2.gz VAKKIQMJCGHUEO-QGZVFWFLSA-N 2 1 337.552 3.432 20 0 EGADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001154099928 1380207650 /nfs/dbraw/zinc/20/76/50/1380207650.db2.gz VAKKIQMJCGHUEO-QGZVFWFLSA-N 2 1 337.552 3.432 20 0 EGADMP CC[C@@H](C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCCCC1)[NH+](C)C ZINC001154274820 1380244178 /nfs/dbraw/zinc/24/41/78/1380244178.db2.gz RCIMJLKZUXCWCI-IBGZPJMESA-N 2 1 345.531 3.278 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455178 1380281133 /nfs/dbraw/zinc/28/11/33/1380281133.db2.gz IZBPXTZVVCQWEU-APWZRJJASA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898206 1380373825 /nfs/dbraw/zinc/37/38/25/1380373825.db2.gz AHBRDGYUMHBCAY-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](Nc2[nH+]cnc3c2ccn3Cc2cccc(F)c2)C1 ZINC001154986608 1380385308 /nfs/dbraw/zinc/38/53/08/1380385308.db2.gz UBJFCXWFRSDXPO-CVEARBPZSA-N 2 1 339.418 3.301 20 0 EGADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001155024001 1380393374 /nfs/dbraw/zinc/39/33/74/1380393374.db2.gz GLBZWDHNNMLEQD-HUUCEWRRSA-N 2 1 336.911 3.378 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C)cc1)[NH+](CC)CC ZINC001155174969 1380419537 /nfs/dbraw/zinc/41/95/37/1380419537.db2.gz NRXZYPDFGAPWNX-QUCCMNQESA-N 2 1 347.547 3.442 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccsc1)[NH+](CC)CC ZINC001155180788 1380420339 /nfs/dbraw/zinc/42/03/39/1380420339.db2.gz QAWBCZZKQRRZIP-WBVHZDCISA-N 2 1 339.549 3.195 20 0 EGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N[C@@H]2CC[NH2+][C@@H]2C)n1 ZINC001155188566 1380421079 /nfs/dbraw/zinc/42/10/79/1380421079.db2.gz OAOQNGRIMHHZCU-TZMCWYRMSA-N 2 1 347.532 3.312 20 0 EGADMP CC[N@@H+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226109 1380426343 /nfs/dbraw/zinc/42/63/43/1380426343.db2.gz HMCARMIOBGSUDZ-CLARTRLESA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155226109 1380426344 /nfs/dbraw/zinc/42/63/44/1380426344.db2.gz HMCARMIOBGSUDZ-CLARTRLESA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155226109 1380426345 /nfs/dbraw/zinc/42/63/45/1380426345.db2.gz HMCARMIOBGSUDZ-CLARTRLESA-N 2 1 343.515 3.011 20 0 EGADMP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244301 1380428602 /nfs/dbraw/zinc/42/86/02/1380428602.db2.gz MZENOAGLRKMLLL-CRAIPNDOSA-N 2 1 348.535 3.017 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244301 1380428603 /nfs/dbraw/zinc/42/86/03/1380428603.db2.gz MZENOAGLRKMLLL-CRAIPNDOSA-N 2 1 348.535 3.017 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263899 1380430260 /nfs/dbraw/zinc/43/02/60/1380430260.db2.gz XKJQAUMENVTIDF-SXSDINLZSA-N 2 1 325.541 3.147 20 0 EGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001155263899 1380430262 /nfs/dbraw/zinc/43/02/62/1380430262.db2.gz XKJQAUMENVTIDF-SXSDINLZSA-N 2 1 325.541 3.147 20 0 EGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001155263899 1380430263 /nfs/dbraw/zinc/43/02/63/1380430263.db2.gz XKJQAUMENVTIDF-SXSDINLZSA-N 2 1 325.541 3.147 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCC1CCCC1)[NH+](C)C ZINC001155289388 1380434026 /nfs/dbraw/zinc/43/40/26/1380434026.db2.gz PXUAJPNJLFLEDW-AEFFLSMTSA-N 2 1 325.541 3.124 20 0 EGADMP COc1cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)[nH+]c2ccccc21 ZINC001155457768 1380456084 /nfs/dbraw/zinc/45/60/84/1380456084.db2.gz BQIMKPSAHOXEBL-HNNXBMFYSA-N 2 1 336.439 3.267 20 0 EGADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C)c1cccc2ccccc21 ZINC001155803037 1380493477 /nfs/dbraw/zinc/49/34/77/1380493477.db2.gz VUBDAOOIGNXEQY-JXFKEZNVSA-N 2 1 339.483 3.091 20 0 EGADMP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825363 1380495868 /nfs/dbraw/zinc/49/58/68/1380495868.db2.gz HTABJQMKHDRCBS-MRXNPFEDSA-N 2 1 348.535 3.235 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825363 1380495869 /nfs/dbraw/zinc/49/58/69/1380495869.db2.gz HTABJQMKHDRCBS-MRXNPFEDSA-N 2 1 348.535 3.235 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155993969 1380511499 /nfs/dbraw/zinc/51/14/99/1380511499.db2.gz CKQWQWFJLKBAST-OLHLWXQYSA-N 2 1 337.552 3.291 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001156306690 1380555086 /nfs/dbraw/zinc/55/50/86/1380555086.db2.gz VRHAIDIYVIQNAQ-QZTJIDSGSA-N 2 1 325.541 3.268 20 0 EGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001156306690 1380555087 /nfs/dbraw/zinc/55/50/87/1380555087.db2.gz VRHAIDIYVIQNAQ-QZTJIDSGSA-N 2 1 325.541 3.268 20 0 EGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001156306690 1380555089 /nfs/dbraw/zinc/55/50/89/1380555089.db2.gz VRHAIDIYVIQNAQ-QZTJIDSGSA-N 2 1 325.541 3.268 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4nc(NC5CC5)cc[nH+]4)[C@H]3C2)cc1 ZINC001156316222 1380556735 /nfs/dbraw/zinc/55/67/35/1380556735.db2.gz VGSZKMMAELEVRE-WDSOQIARSA-N 2 1 349.482 3.373 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4nc(NC5CC5)cc[nH+]4)[C@H]3C2)cc1 ZINC001156316222 1380556738 /nfs/dbraw/zinc/55/67/38/1380556738.db2.gz VGSZKMMAELEVRE-WDSOQIARSA-N 2 1 349.482 3.373 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4ccc5c(n4)CC[NH2+]C5)[C@H]3C2)cc1 ZINC001156313809 1380556844 /nfs/dbraw/zinc/55/68/44/1380556844.db2.gz CIZNURKLJFPTGE-IRFCIJBXSA-N 2 1 348.494 3.050 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)nc1 ZINC001156401715 1380571712 /nfs/dbraw/zinc/57/17/12/1380571712.db2.gz KAXDEHIBESNFSE-SFHLNBCPSA-N 2 1 342.531 3.407 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)CCC1=CCCCC1 ZINC001156517158 1380587346 /nfs/dbraw/zinc/58/73/46/1380587346.db2.gz PHTRKNUFAQLMLY-GOSISDBHSA-N 2 1 337.552 3.435 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CCC1=CCCCC1 ZINC001156517158 1380587349 /nfs/dbraw/zinc/58/73/49/1380587349.db2.gz PHTRKNUFAQLMLY-GOSISDBHSA-N 2 1 337.552 3.435 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CCC1=CCCCC1 ZINC001156517158 1380587350 /nfs/dbraw/zinc/58/73/50/1380587350.db2.gz PHTRKNUFAQLMLY-GOSISDBHSA-N 2 1 337.552 3.435 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC/C=C\c1ccccc1 ZINC001156529496 1380588612 /nfs/dbraw/zinc/58/86/12/1380588612.db2.gz BQBAJFAVCYLTCQ-LMICACPXSA-N 2 1 345.531 3.258 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC/C=C\c1ccccc1 ZINC001156529496 1380588613 /nfs/dbraw/zinc/58/86/13/1380588613.db2.gz BQBAJFAVCYLTCQ-LMICACPXSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001328103317 1388674029 /nfs/dbraw/zinc/67/40/29/1388674029.db2.gz SOXUQGSUZUMJSP-HKUYNNGSSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157108736 1380776932 /nfs/dbraw/zinc/77/69/32/1380776932.db2.gz CDSNZPAJUFXLGR-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001157108736 1380776936 /nfs/dbraw/zinc/77/69/36/1380776936.db2.gz CDSNZPAJUFXLGR-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP CCCc1ccc(C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C(C)C)cc1 ZINC001157113386 1380778277 /nfs/dbraw/zinc/77/82/77/1380778277.db2.gz IZPOIUFLMVFXGW-GOSISDBHSA-N 2 1 347.547 3.306 20 0 EGADMP CCCc1ccc(C[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)C(C)C)cc1 ZINC001157113386 1380778283 /nfs/dbraw/zinc/77/82/83/1380778283.db2.gz IZPOIUFLMVFXGW-GOSISDBHSA-N 2 1 347.547 3.306 20 0 EGADMP CCCc1ccc(C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001157113386 1380778286 /nfs/dbraw/zinc/77/82/86/1380778286.db2.gz IZPOIUFLMVFXGW-GOSISDBHSA-N 2 1 347.547 3.306 20 0 EGADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113304 1380778457 /nfs/dbraw/zinc/77/84/57/1380778457.db2.gz GWUWDRLOIUMLAD-OAHLLOKOSA-N 2 1 339.911 3.007 20 0 EGADMP CC[NH+](Cc1cccc(Cl)c1)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157113304 1380778459 /nfs/dbraw/zinc/77/84/59/1380778459.db2.gz GWUWDRLOIUMLAD-OAHLLOKOSA-N 2 1 339.911 3.007 20 0 EGADMP CC[NH+](Cc1cccc(Cl)c1)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157113304 1380778465 /nfs/dbraw/zinc/77/84/65/1380778465.db2.gz GWUWDRLOIUMLAD-OAHLLOKOSA-N 2 1 339.911 3.007 20 0 EGADMP CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001157118526 1380780027 /nfs/dbraw/zinc/78/00/27/1380780027.db2.gz HKMRMKCKHCWKAB-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CC1(Nc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC[NH2+]CC1 ZINC001157401372 1380870727 /nfs/dbraw/zinc/87/07/27/1380870727.db2.gz FTTGFQFTDZWXIN-UHFFFAOYSA-N 2 1 336.483 3.194 20 0 EGADMP C[N@@H+](CCCC1CCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157702596 1381008478 /nfs/dbraw/zinc/00/84/78/1381008478.db2.gz ZAAYSMGMORZRDO-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001157702596 1381008480 /nfs/dbraw/zinc/00/84/80/1381008480.db2.gz ZAAYSMGMORZRDO-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001157702596 1381008484 /nfs/dbraw/zinc/00/84/84/1381008484.db2.gz ZAAYSMGMORZRDO-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001157887418 1381060769 /nfs/dbraw/zinc/06/07/69/1381060769.db2.gz VHJQHFFLZBKYKC-GOSISDBHSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001157893397 1381062940 /nfs/dbraw/zinc/06/29/40/1381062940.db2.gz FFDHKICGTVAKLI-KUMUZEIWSA-N 2 1 343.515 3.059 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(C)C ZINC001157973552 1381088930 /nfs/dbraw/zinc/08/89/30/1381088930.db2.gz HUJNIBLHQWCVSB-ZWKOTPCHSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(C)C ZINC001157973552 1381088932 /nfs/dbraw/zinc/08/89/32/1381088932.db2.gz HUJNIBLHQWCVSB-ZWKOTPCHSA-N 2 1 348.535 3.366 20 0 EGADMP Cc1[nH+]c(N(c2ccncc2F)C2CC[NH2+]CC2)cc2[nH]ccc21 ZINC001158343469 1381208485 /nfs/dbraw/zinc/20/84/85/1381208485.db2.gz XAFRZHGMRVZMEK-UHFFFAOYSA-N 2 1 325.391 3.296 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C(C)C)cc2)CC[N@H+]1C ZINC001158403900 1381231375 /nfs/dbraw/zinc/23/13/75/1381231375.db2.gz MJFAGEGKHVCFAJ-VQTJNVASSA-N 2 1 345.531 3.136 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)C[C@@H](C)CC(C)C)[NH+](C)C ZINC001158487140 1381263799 /nfs/dbraw/zinc/26/37/99/1381263799.db2.gz SXTAMZUMEWILRK-OTWHNJEPSA-N 2 1 339.568 3.322 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)C/C=C\Cl)[NH+](CC)CC ZINC001158491139 1381266342 /nfs/dbraw/zinc/26/63/42/1381266342.db2.gz LCNBRVMQCNTLDY-JOOJNFMESA-N 2 1 343.943 3.172 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCC1)[NH+](CC)CC ZINC001158491545 1381266567 /nfs/dbraw/zinc/26/65/67/1381266567.db2.gz RRNJIVZJDAVEOZ-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)C[C@H](C)CC(C)C ZINC001158704683 1381360169 /nfs/dbraw/zinc/36/01/69/1381360169.db2.gz QPDIJZVZOBJDJV-RTBURBONSA-N 2 1 339.568 3.323 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@H](C)CC(C)C ZINC001158704683 1381360172 /nfs/dbraw/zinc/36/01/72/1381360172.db2.gz QPDIJZVZOBJDJV-RTBURBONSA-N 2 1 339.568 3.323 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)C[C@H](C)CC(C)C ZINC001158704683 1381360174 /nfs/dbraw/zinc/36/01/74/1381360174.db2.gz QPDIJZVZOBJDJV-RTBURBONSA-N 2 1 339.568 3.323 20 0 EGADMP COc1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1OC(F)F ZINC001328412564 1388740040 /nfs/dbraw/zinc/74/00/40/1388740040.db2.gz SMEXYOLMCCWMHT-UHFFFAOYSA-N 2 1 340.414 3.262 20 0 EGADMP Cc1[nH+]c2c(Br)cc(C)cn2c1NC=C1CC[NH2+]CC1 ZINC001159371891 1381780127 /nfs/dbraw/zinc/78/01/27/1381780127.db2.gz NZEAHFXZVIFVRR-UHFFFAOYSA-N 2 1 335.249 3.393 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(Nc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001159509813 1381812538 /nfs/dbraw/zinc/81/25/38/1381812538.db2.gz XPTVAPZNYCLRTQ-UHFFFAOYSA-N 2 1 333.439 3.334 20 0 EGADMP CN1CC[NH+](Cc2ccccc2Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC001159510655 1381813223 /nfs/dbraw/zinc/81/32/23/1381813223.db2.gz NBDMPKWERKYIAP-UHFFFAOYSA-N 2 1 338.499 3.371 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CCCCCC2)CC1 ZINC001159628512 1381852812 /nfs/dbraw/zinc/85/28/12/1381852812.db2.gz KQAQEQSTDLTXIR-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2CCCCCC2)CC1 ZINC001159628512 1381852814 /nfs/dbraw/zinc/85/28/14/1381852814.db2.gz KQAQEQSTDLTXIR-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2CCCCCC2)CC1 ZINC001159628512 1381852816 /nfs/dbraw/zinc/85/28/16/1381852816.db2.gz KQAQEQSTDLTXIR-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CCCC2CCCC2)CC1 ZINC001159629576 1381853391 /nfs/dbraw/zinc/85/33/91/1381853391.db2.gz ZNTVEPLZVZTQOA-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CCCC2CCCC2)CC1 ZINC001159629576 1381853396 /nfs/dbraw/zinc/85/33/96/1381853396.db2.gz ZNTVEPLZVZTQOA-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CCCC2CCCC2)CC1 ZINC001159629576 1381853402 /nfs/dbraw/zinc/85/34/02/1381853402.db2.gz ZNTVEPLZVZTQOA-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP CCc1cccc(C[NH2+]CCCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001159907793 1381934575 /nfs/dbraw/zinc/93/45/75/1381934575.db2.gz CXDFESWAFVCESG-HXUWFJFHSA-N 2 1 345.531 3.108 20 0 EGADMP C[N@@H+](Cc1ccc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)nc1)C1CC1 ZINC001159953484 1381948115 /nfs/dbraw/zinc/94/81/15/1381948115.db2.gz UHVJOKUCKNORIT-INIZCTEOSA-N 2 1 346.478 3.436 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001160285903 1382061967 /nfs/dbraw/zinc/06/19/67/1382061967.db2.gz KTWCOOJWIIRODB-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001160285903 1382061972 /nfs/dbraw/zinc/06/19/72/1382061972.db2.gz KTWCOOJWIIRODB-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001160285903 1382061977 /nfs/dbraw/zinc/06/19/77/1382061977.db2.gz KTWCOOJWIIRODB-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001160352751 1382080796 /nfs/dbraw/zinc/08/07/96/1382080796.db2.gz LBTRRLIBQYWSIU-GOSISDBHSA-N 2 1 344.503 3.089 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001160352751 1382080798 /nfs/dbraw/zinc/08/07/98/1382080798.db2.gz LBTRRLIBQYWSIU-GOSISDBHSA-N 2 1 344.503 3.089 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160400427 1382094116 /nfs/dbraw/zinc/09/41/16/1382094116.db2.gz QAYOJEAYJPJUNZ-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001160400427 1382094121 /nfs/dbraw/zinc/09/41/21/1382094121.db2.gz QAYOJEAYJPJUNZ-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001160400427 1382094126 /nfs/dbraw/zinc/09/41/26/1382094126.db2.gz QAYOJEAYJPJUNZ-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP CC[C@H](C(=O)NCCC1=CC[N@@H+](CC2CCC(C)CC2)CC1)[NH+](C)C ZINC001160479047 1382118401 /nfs/dbraw/zinc/11/84/01/1382118401.db2.gz LHOSORXGNBMIMG-LYBXBRPPSA-N 2 1 349.563 3.291 20 0 EGADMP [NH3+]C[C@@]1(Nc2nc(Cl)ccc2-c2ccccc2)C[NH+]2CCC1CC2 ZINC001160511504 1382127194 /nfs/dbraw/zinc/12/71/94/1382127194.db2.gz NTTXFDMQVBOHTH-LJQANCHMSA-N 2 1 342.874 3.237 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160788047 1382195929 /nfs/dbraw/zinc/19/59/29/1382195929.db2.gz WRNFKJVOHGUTNK-YLJYHZDGSA-N 2 1 347.547 3.045 20 0 EGADMP O=C(NCCC[NH2+]CCCC1CCCC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001160870508 1382220062 /nfs/dbraw/zinc/22/00/62/1382220062.db2.gz YJBZSOKXZUNVPK-RBUKOAKNSA-N 2 1 335.536 3.070 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C(=O)N2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC001293540003 1382297703 /nfs/dbraw/zinc/29/77/03/1382297703.db2.gz HBTZLMVBRNMISL-ZCNNSNEGSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC001293540003 1382297705 /nfs/dbraw/zinc/29/77/05/1382297705.db2.gz HBTZLMVBRNMISL-ZCNNSNEGSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC001293540003 1382297712 /nfs/dbraw/zinc/29/77/12/1382297712.db2.gz HBTZLMVBRNMISL-ZCNNSNEGSA-N 2 1 349.563 3.220 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161133688 1382313867 /nfs/dbraw/zinc/31/38/67/1382313867.db2.gz MWQSMEOOPWGSAD-NDDJGDGRSA-N 2 1 349.563 3.457 20 0 EGADMP CC[C@H](C(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1)[NH+](CC)CC ZINC001161213851 1382344650 /nfs/dbraw/zinc/34/46/50/1382344650.db2.gz MEGJZPSUYJCKQS-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001161356577 1382382054 /nfs/dbraw/zinc/38/20/54/1382382054.db2.gz VRJRFXWKFJWSOS-QGZVFWFLSA-N 2 1 346.519 3.191 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001161356577 1382382058 /nfs/dbraw/zinc/38/20/58/1382382058.db2.gz VRJRFXWKFJWSOS-QGZVFWFLSA-N 2 1 346.519 3.191 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CCC2CC2)CC1 ZINC001161391526 1382396023 /nfs/dbraw/zinc/39/60/23/1382396023.db2.gz SWGSTPZUZUILNY-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](CCC2CC2)CC1 ZINC001161391526 1382396028 /nfs/dbraw/zinc/39/60/28/1382396028.db2.gz SWGSTPZUZUILNY-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001161391526 1382396033 /nfs/dbraw/zinc/39/60/33/1382396033.db2.gz SWGSTPZUZUILNY-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161492078 1382421795 /nfs/dbraw/zinc/42/17/95/1382421795.db2.gz PXYFDFCMDIDLTD-IBGZPJMESA-N 2 1 337.552 3.291 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161622904 1382463316 /nfs/dbraw/zinc/46/33/16/1382463316.db2.gz WNVNPJCCCSYEIE-UHFFFAOYSA-N 2 1 347.547 3.211 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCCC2=CC[NH+](CC3CCCCC3)CC2)C1 ZINC001161705895 1382485886 /nfs/dbraw/zinc/48/58/86/1382485886.db2.gz ZESCMIHFYMGIRI-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NCCC2=CC[N@H+](CC3CCCCC3)CC2)C1 ZINC001161705895 1382485888 /nfs/dbraw/zinc/48/58/88/1382485888.db2.gz ZESCMIHFYMGIRI-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NCCC2=CC[N@@H+](CC3CCCCC3)CC2)C1 ZINC001161705895 1382485892 /nfs/dbraw/zinc/48/58/92/1382485892.db2.gz ZESCMIHFYMGIRI-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[N@@H+](CC)CC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001328588934 1388784477 /nfs/dbraw/zinc/78/44/77/1388784477.db2.gz QNKDZEMKHCNHFS-UHFFFAOYSA-N 2 1 345.531 3.332 20 0 EGADMP [NH3+]C1CC[NH+](CCNc2nc(Cl)ccc2-c2ccccc2)CC1 ZINC001161867447 1382535048 /nfs/dbraw/zinc/53/50/48/1382535048.db2.gz HQGVAXAWVPLCAZ-UHFFFAOYSA-N 2 1 330.863 3.237 20 0 EGADMP CCC[N@@H+]1CC=C(CCNC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001161986978 1382589668 /nfs/dbraw/zinc/58/96/68/1382589668.db2.gz PQHSZGIVUXRGIH-UHFFFAOYSA-N 2 1 347.503 3.283 20 0 EGADMP [NH3+][C@H]1CCC[C@H](Nc2cc(NC(=O)Nc3ccccc3)cc[nH+]2)C1 ZINC001162390247 1382745177 /nfs/dbraw/zinc/74/51/77/1382745177.db2.gz CYZUCRHNDKWVQJ-ZFWWWQNUSA-N 2 1 325.416 3.407 20 0 EGADMP C[C@H]1C[NH2+]CCC[C@H]1CNc1c[nH+]c2c(Br)cccn12 ZINC001162465028 1382765702 /nfs/dbraw/zinc/76/57/02/1382765702.db2.gz BFDAERLTONLSKQ-RYUDHWBXSA-N 2 1 337.265 3.144 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001328693122 1388810550 /nfs/dbraw/zinc/81/05/50/1388810550.db2.gz GRFUTLNKDOGMJV-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@H](C)C[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@@H+](C)CC ZINC001162977333 1382935204 /nfs/dbraw/zinc/93/52/04/1382935204.db2.gz LMKZTUHDCXRCGJ-IBGZPJMESA-N 2 1 347.547 3.035 20 0 EGADMP CCCCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)CCC ZINC001162986915 1382938017 /nfs/dbraw/zinc/93/80/17/1382938017.db2.gz DTVIQSCEJGLZHA-UHFFFAOYSA-N 2 1 347.547 3.179 20 0 EGADMP Cc1ccc2c(c1)[C@@H](Nc1nc(N(C)C)cc[nH+]1)CC21CC[NH2+]CC1 ZINC001163023696 1382950541 /nfs/dbraw/zinc/95/05/41/1382950541.db2.gz LSQFABBBKIHCBH-KRWDZBQOSA-N 2 1 337.471 3.029 20 0 EGADMP C[N@H+]1CC[C@H](c2ccc(NCC[C@H]3C[NH2+]Cc4cccn4C3)cc2)C1 ZINC001163065307 1382959638 /nfs/dbraw/zinc/95/96/38/1382959638.db2.gz MACFLQJPXZKUEN-HKUYNNGSSA-N 2 1 338.499 3.129 20 0 EGADMP Cc1ccc2c(C)cc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)[nH+]c2c1 ZINC001163277815 1383011800 /nfs/dbraw/zinc/01/18/00/1383011800.db2.gz GVDYZHIUQXDUGR-UZLBHIALSA-N 2 1 325.456 3.422 20 0 EGADMP c1cc2c3c([nH]c2c(NC[C@@H]2CO[C@]4(C2)CCC[NH2+]C4)[nH+]1)CCCC3 ZINC001163279930 1383012150 /nfs/dbraw/zinc/01/21/50/1383012150.db2.gz PHLAYBWTWRLTNM-VLIAUNLRSA-N 2 1 340.471 3.012 20 0 EGADMP Cc1cc(C)c2[nH+]c(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)cc(C)c2c1 ZINC001163310589 1383018201 /nfs/dbraw/zinc/01/82/01/1383018201.db2.gz MOHNLVIJBHTORM-JXFKEZNVSA-N 2 1 325.456 3.483 20 0 EGADMP C1=CC[C@@H](C[NH+]2CCC(Nc3nc(NC4CC4)cc[nH+]3)CC2)CC1 ZINC001163314378 1383019914 /nfs/dbraw/zinc/01/99/14/1383019914.db2.gz FDSGCKJUEHODCM-OAHLLOKOSA-N 2 1 327.476 3.284 20 0 EGADMP Cc1cc(C(F)(F)F)cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)[nH+]1 ZINC001163644719 1383094021 /nfs/dbraw/zinc/09/40/21/1383094021.db2.gz VBYAFIIKKKHQEO-DZGCQCFKSA-N 2 1 329.366 3.122 20 0 EGADMP C[NH+](C)C1(CNc2ccc(Oc3ccccc3)nc2)CC[NH+](C)CC1 ZINC001164213238 1383166810 /nfs/dbraw/zinc/16/68/10/1383166810.db2.gz QJFLPTOVLWTLOP-UHFFFAOYSA-N 2 1 340.471 3.312 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]CCC2=CCCCC2)C1 ZINC001164456276 1383188427 /nfs/dbraw/zinc/18/84/27/1383188427.db2.gz OTBMKPARNUHWJI-IBGZPJMESA-N 2 1 335.536 3.095 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@@H](CC)c2ccccc2)C1 ZINC001164456769 1383188696 /nfs/dbraw/zinc/18/86/96/1383188696.db2.gz ZEJPRFBTZHSAHU-UXHICEINSA-N 2 1 345.531 3.356 20 0 EGADMP C[C@@H]1CC[C@@H](C[NH3+])CN1c1[nH+]cnc2c1ccn2Cc1ccccc1 ZINC001164469298 1383189809 /nfs/dbraw/zinc/18/98/09/1383189809.db2.gz ZPKRBONTRQVKSH-WBVHZDCISA-N 2 1 335.455 3.043 20 0 EGADMP CCCCCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164501122 1383193802 /nfs/dbraw/zinc/19/38/02/1383193802.db2.gz SMJZNDYQDNRVID-LJQANCHMSA-N 2 1 337.552 3.460 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001164514261 1383195340 /nfs/dbraw/zinc/19/53/40/1383195340.db2.gz NTEORPMGFAHQGF-SFHVURJKSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001164514698 1383195378 /nfs/dbraw/zinc/19/53/78/1383195378.db2.gz ROJWWOODTYMUTB-IBGZPJMESA-N 2 1 349.563 3.316 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CCC(C)(C)C)CC2)CC[N@H+]1C ZINC001164583114 1383201912 /nfs/dbraw/zinc/20/19/12/1383201912.db2.gz TWYZBZNSQVKUNA-DLBZAZTESA-N 2 1 337.552 3.029 20 0 EGADMP Cn1ccc2c1cc[nH+]c2N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165083474 1383224259 /nfs/dbraw/zinc/22/42/59/1383224259.db2.gz GKDCMIWBLDYLNK-FXAWDEMLSA-N 2 1 332.451 3.284 20 0 EGADMP Cc1cc2c(nc[nH+]c2N2CCC([N@@H+]3CCc4ccccc4C3)CC2)[nH]1 ZINC001165150865 1383238217 /nfs/dbraw/zinc/23/82/17/1383238217.db2.gz QSJARWQLGHEDAC-UHFFFAOYSA-N 2 1 347.466 3.293 20 0 EGADMP Cc1cc2c(nc[nH+]c2N2CCC([N@H+]3CCc4ccccc4C3)CC2)[nH]1 ZINC001165150865 1383238219 /nfs/dbraw/zinc/23/82/19/1383238219.db2.gz QSJARWQLGHEDAC-UHFFFAOYSA-N 2 1 347.466 3.293 20 0 EGADMP FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1c1ccc2c([nH+]1)CCC2 ZINC001165303422 1383269975 /nfs/dbraw/zinc/26/99/75/1383269975.db2.gz GCSTWELAKNFIEV-CQSZACIVSA-N 2 1 325.378 3.224 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001165472554 1383299907 /nfs/dbraw/zinc/29/99/07/1383299907.db2.gz MUAVQWYSMRYLQU-GOSISDBHSA-N 2 1 337.552 3.031 20 0 EGADMP O=C(NCCC1(C[NH2+]CCC2CC2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001165485516 1383301798 /nfs/dbraw/zinc/30/17/98/1383301798.db2.gz YGXYPMVSNHABIN-LJQANCHMSA-N 2 1 347.547 3.070 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001165501121 1383303699 /nfs/dbraw/zinc/30/36/99/1383303699.db2.gz AUHRLVXWXPEHPP-QGZVFWFLSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)(C)N(c1ccc2c([nH+]1)CCC2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165668898 1383321722 /nfs/dbraw/zinc/32/17/22/1383321722.db2.gz GWHRFGWGDMAHKN-INIZCTEOSA-N 2 1 329.488 3.086 20 0 EGADMP CC(C)(C)N(c1ccc2c([nH+]1)CCCC2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165671049 1383323285 /nfs/dbraw/zinc/32/32/85/1383323285.db2.gz XTRRFTFRALQWJG-KRWDZBQOSA-N 2 1 343.515 3.476 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001165763759 1383341488 /nfs/dbraw/zinc/34/14/88/1383341488.db2.gz FQMWAUSKYIPPSX-MSOLQXFVSA-N 2 1 337.552 3.029 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001165765117 1383342426 /nfs/dbraw/zinc/34/24/26/1383342426.db2.gz YVHGUEMNBMXKFV-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP C[C@@H]1CCC[C@H](CC[NH2+]CCCNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001166736476 1383468482 /nfs/dbraw/zinc/46/84/82/1383468482.db2.gz NEGSNCBXNRFWMT-QZTJIDSGSA-N 2 1 337.552 3.031 20 0 EGADMP CCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001166802302 1383479837 /nfs/dbraw/zinc/47/98/37/1383479837.db2.gz JVLIPCBCMSCHGV-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)[C@@H](C)c1ccccc1F ZINC001328786844 1388864171 /nfs/dbraw/zinc/86/41/71/1388864171.db2.gz RGAFCUGLAUCAFS-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)[C@@H](C)c1ccccc1F ZINC001328786844 1388864173 /nfs/dbraw/zinc/86/41/73/1388864173.db2.gz RGAFCUGLAUCAFS-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC001328786844 1388864177 /nfs/dbraw/zinc/86/41/77/1388864177.db2.gz RGAFCUGLAUCAFS-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCc2ccccc21 ZINC001167626509 1383692441 /nfs/dbraw/zinc/69/24/41/1383692441.db2.gz CSZBIOPSVANGPR-PMACEKPBSA-N 2 1 343.515 3.033 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001167627449 1383692820 /nfs/dbraw/zinc/69/28/20/1383692820.db2.gz OAMGHRWMPUNHKZ-QUCCMNQESA-N 2 1 345.531 3.415 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001167640766 1383695968 /nfs/dbraw/zinc/69/59/68/1383695968.db2.gz QYHPXBDAXSPYTE-INIZCTEOSA-N 2 1 349.494 3.105 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCCC2(C[NH2+]CCCC3CCCC3)CC2)C1 ZINC001167737565 1383725849 /nfs/dbraw/zinc/72/58/49/1383725849.db2.gz VMTBVICNYMKVJV-LJQANCHMSA-N 2 1 349.563 3.175 20 0 EGADMP Cc1[nH+]c(N)ccc1CNc1ccc(CO[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001167786666 1383740940 /nfs/dbraw/zinc/74/09/40/1383740940.db2.gz IVODIORFBBJUNI-RTBURBONSA-N 2 1 340.471 3.371 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2cccc(C)c2)CC1 ZINC001167812556 1383746490 /nfs/dbraw/zinc/74/64/90/1383746490.db2.gz PFCZIJLGRHUWRX-UHFFFAOYSA-N 2 1 345.531 3.103 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H]2OCCC[C@]2(COC)C1 ZINC001167821053 1383748895 /nfs/dbraw/zinc/74/88/95/1383748895.db2.gz AEZYGCYXCQQQID-GBESFXJTSA-N 2 1 326.525 3.014 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@]2(CCN(CC3CC3)C2=O)C1 ZINC001167824980 1383749434 /nfs/dbraw/zinc/74/94/34/1383749434.db2.gz POLHDMRIIHHTDD-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ccc2nc(NC(=[NH2+])NCCCC[NH3+])nc(-c3ccccc3)c2c1 ZINC001167880459 1383764423 /nfs/dbraw/zinc/76/44/23/1383764423.db2.gz OOIQLHOBKSSJPG-UHFFFAOYSA-N 2 1 348.454 3.280 20 0 EGADMP c1csc(C[N@H+]2CCOC3(CC[NH+]([C@@H]4C[C@H]5C[C@H]5C4)CC3)C2)c1 ZINC001167927321 1383771648 /nfs/dbraw/zinc/77/16/48/1383771648.db2.gz LTAJDEIYYKANDG-BJWYYQGGSA-N 2 1 332.513 3.213 20 0 EGADMP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(Cl)cc1 ZINC001167967936 1383781383 /nfs/dbraw/zinc/78/13/83/1383781383.db2.gz LSDSPWHIFAJQRC-IPQPSQTFSA-N 2 1 334.891 3.368 20 0 EGADMP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(Cl)cc1 ZINC001167967936 1383781388 /nfs/dbraw/zinc/78/13/88/1383781388.db2.gz LSDSPWHIFAJQRC-IPQPSQTFSA-N 2 1 334.891 3.368 20 0 EGADMP CC(=O)Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167968559 1383781633 /nfs/dbraw/zinc/78/16/33/1383781633.db2.gz RLVGNDHXSVZQPL-IHWFROFDSA-N 2 1 327.472 3.140 20 0 EGADMP O=C(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)Nc1ccc(F)cc1 ZINC001167968631 1383781714 /nfs/dbraw/zinc/78/17/14/1383781714.db2.gz ULIANWZKMGKIDL-YQQQUEKLSA-N 2 1 345.462 3.149 20 0 EGADMP C[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@@]1(O)C(F)(F)F ZINC001167984810 1383787639 /nfs/dbraw/zinc/78/76/39/1383787639.db2.gz SFNYKKKTQPMFKQ-HYMJZGCSSA-N 2 1 346.437 3.027 20 0 EGADMP C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@@]1(O)C(F)(F)F ZINC001167984810 1383787642 /nfs/dbraw/zinc/78/76/42/1383787642.db2.gz SFNYKKKTQPMFKQ-HYMJZGCSSA-N 2 1 346.437 3.027 20 0 EGADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@@]1(O)C(F)(F)F ZINC001167984810 1383787643 /nfs/dbraw/zinc/78/76/43/1383787643.db2.gz SFNYKKKTQPMFKQ-HYMJZGCSSA-N 2 1 346.437 3.027 20 0 EGADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@@]1(O)C(F)(F)F ZINC001167984810 1383787647 /nfs/dbraw/zinc/78/76/47/1383787647.db2.gz SFNYKKKTQPMFKQ-HYMJZGCSSA-N 2 1 346.437 3.027 20 0 EGADMP CC(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168011291 1383796693 /nfs/dbraw/zinc/79/66/93/1383796693.db2.gz NFMCZUONMCLQFT-UPHUGPLXSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccncc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168034989 1383801069 /nfs/dbraw/zinc/80/10/69/1383801069.db2.gz RZUUHQMEDAZSKI-OPVJXMOQSA-N 2 1 339.483 3.492 20 0 EGADMP C[C@@H]1CC([NH2+]C2(C(=O)N(C)C)CCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168033288 1383801116 /nfs/dbraw/zinc/80/11/16/1383801116.db2.gz KQFKJORREIMOPD-IAGOWNOFSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@H]1CC([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168047043 1383803748 /nfs/dbraw/zinc/80/37/48/1383803748.db2.gz QEHWZUGVQGXXSS-MMKMLUHNSA-N 3 1 341.543 3.312 20 0 EGADMP C[C@H]1CC([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168047043 1383803750 /nfs/dbraw/zinc/80/37/50/1383803750.db2.gz QEHWZUGVQGXXSS-MMKMLUHNSA-N 3 1 341.543 3.312 20 0 EGADMP C[C@H]1CC([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168047043 1383803754 /nfs/dbraw/zinc/80/37/54/1383803754.db2.gz QEHWZUGVQGXXSS-MMKMLUHNSA-N 3 1 341.543 3.312 20 0 EGADMP C[C@H]1CC([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[C@H](C)N1Cc1ccccc1 ZINC001168047043 1383803758 /nfs/dbraw/zinc/80/37/58/1383803758.db2.gz QEHWZUGVQGXXSS-MMKMLUHNSA-N 2 1 341.543 3.312 20 0 EGADMP C[C@H]1CC([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[C@H](C)N1Cc1ccccc1 ZINC001168047043 1383803762 /nfs/dbraw/zinc/80/37/62/1383803762.db2.gz QEHWZUGVQGXXSS-MMKMLUHNSA-N 2 1 341.543 3.312 20 0 EGADMP C[C@H]1CC([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C[C@H](C)N1Cc1ccccc1 ZINC001168047043 1383803766 /nfs/dbraw/zinc/80/37/66/1383803766.db2.gz QEHWZUGVQGXXSS-MMKMLUHNSA-N 2 1 341.543 3.312 20 0 EGADMP C[C@H]1CC([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C[C@H](C)N1Cc1ccccc1 ZINC001168047043 1383803771 /nfs/dbraw/zinc/80/37/71/1383803771.db2.gz QEHWZUGVQGXXSS-MMKMLUHNSA-N 2 1 341.543 3.312 20 0 EGADMP C[NH+](C)C1CCC([NH+]2CCC(N)(c3cccc(Cl)c3)CC2)CC1 ZINC001168305352 1383868583 /nfs/dbraw/zinc/86/85/83/1383868583.db2.gz IOVDMVIOJUZNDB-UHFFFAOYSA-N 2 1 335.923 3.463 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)CC1 ZINC001168314465 1383871862 /nfs/dbraw/zinc/87/18/62/1383871862.db2.gz LQRUQUQAUQSFMF-RJYAGPCLSA-N 2 1 339.524 3.238 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168324649 1383873410 /nfs/dbraw/zinc/87/34/10/1383873410.db2.gz SQASTJVSXLEHCE-JUVOFCAFSA-N 2 1 339.524 3.237 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001168326533 1383873592 /nfs/dbraw/zinc/87/35/92/1383873592.db2.gz ACWOZJZICLHZCN-LZBANZJXSA-N 3 1 341.543 3.457 20 0 EGADMP C[NH+](C)C1CCC([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001168326533 1383873597 /nfs/dbraw/zinc/87/35/97/1383873597.db2.gz ACWOZJZICLHZCN-LZBANZJXSA-N 3 1 341.543 3.457 20 0 EGADMP C[NH+](C)C1CCC([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001168326533 1383873601 /nfs/dbraw/zinc/87/36/01/1383873601.db2.gz ACWOZJZICLHZCN-LZBANZJXSA-N 3 1 341.543 3.457 20 0 EGADMP C[NH+](C)C1CCC([N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001168326533 1383873605 /nfs/dbraw/zinc/87/36/05/1383873605.db2.gz ACWOZJZICLHZCN-LZBANZJXSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001168326533 1383873610 /nfs/dbraw/zinc/87/36/10/1383873610.db2.gz ACWOZJZICLHZCN-LZBANZJXSA-N 2 1 341.543 3.457 20 0 EGADMP CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001168335851 1383876551 /nfs/dbraw/zinc/87/65/51/1383876551.db2.gz WOYUSIOLAWESOJ-GOSISDBHSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1ccccc1C[N@H+]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC001168365677 1383884883 /nfs/dbraw/zinc/88/48/83/1383884883.db2.gz DDKONGOAKPKRMT-NRFANRHFSA-N 2 1 327.516 3.033 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC1CC[NH+](CC2CC2)CC1 ZINC001168371609 1383887472 /nfs/dbraw/zinc/88/74/72/1383887472.db2.gz PJQZJHNNIBIXKL-GCJKJVERSA-N 2 1 341.543 3.361 20 0 EGADMP COC(=O)[C@@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)[C@H]1c1ccccc1 ZINC001168378851 1383889504 /nfs/dbraw/zinc/88/95/04/1383889504.db2.gz XHFZFWJKQCJBBQ-UXHICEINSA-N 2 1 342.483 3.097 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](CCN3C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168394803 1383894448 /nfs/dbraw/zinc/89/44/48/1383894448.db2.gz HQBJPJAHTYYDDS-UNMCSNQZSA-N 2 1 339.527 3.067 20 0 EGADMP c1ccc(CN2C[C@H]3[C@@H](CC[N@H+]3C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168394803 1383894452 /nfs/dbraw/zinc/89/44/52/1383894452.db2.gz HQBJPJAHTYYDDS-UNMCSNQZSA-N 2 1 339.527 3.067 20 0 EGADMP c1ccc(CN2C[C@H]3[C@@H](CC[N@@H+]3C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168394803 1383894460 /nfs/dbraw/zinc/89/44/60/1383894460.db2.gz HQBJPJAHTYYDDS-UNMCSNQZSA-N 2 1 339.527 3.067 20 0 EGADMP FC(F)(F)[C@H](Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1)c1ccccn1 ZINC001168481012 1383918422 /nfs/dbraw/zinc/91/84/22/1383918422.db2.gz UCBJDBNZPVNZDD-MRXNPFEDSA-N 2 1 347.344 3.132 20 0 EGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@@H](C)Cc1cccc(F)c1)C2 ZINC001168483847 1383919161 /nfs/dbraw/zinc/91/91/61/1383919161.db2.gz BDTXRKGRTCUQAV-INIZCTEOSA-N 2 1 344.478 3.309 20 0 EGADMP c1[nH+]c2cc(NC3(c4cccnn4)CC3)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001168514607 1383928459 /nfs/dbraw/zinc/92/84/59/1383928459.db2.gz QXAMWCBUISEEMI-INIZCTEOSA-N 2 1 348.454 3.242 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]CCc1ccc(C)cc1 ZINC001168596713 1383945156 /nfs/dbraw/zinc/94/51/56/1383945156.db2.gz ZBLIZODJPYYUJJ-UHFFFAOYSA-N 2 1 347.547 3.146 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]CCCC1CCC1 ZINC001168606823 1383947146 /nfs/dbraw/zinc/94/71/46/1383947146.db2.gz MIRWXEGSONPHKT-UHFFFAOYSA-N 2 1 325.541 3.175 20 0 EGADMP COC(=O)C1(C)CCC(N(c2cccc(C)[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001168796344 1384008321 /nfs/dbraw/zinc/00/83/21/1384008321.db2.gz IKUOEFOTMWRCOQ-UHFFFAOYSA-N 2 1 345.487 3.070 20 0 EGADMP CCN(CCc1ccc(C(F)(F)F)cc1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC001307862487 1384045680 /nfs/dbraw/zinc/04/56/80/1384045680.db2.gz AIRYBXGKJMJZAL-KRWDZBQOSA-N 2 1 346.437 3.271 20 0 EGADMP CC[N@H+](CCc1ccc(C(F)(F)F)cc1)C[C@@H](O)C[NH+](C)C(C)C ZINC001307862487 1384045685 /nfs/dbraw/zinc/04/56/85/1384045685.db2.gz AIRYBXGKJMJZAL-KRWDZBQOSA-N 2 1 346.437 3.271 20 0 EGADMP CC[NH+](CCc1ccc(C(F)(F)F)cc1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC001307862487 1384045703 /nfs/dbraw/zinc/04/57/03/1384045703.db2.gz AIRYBXGKJMJZAL-KRWDZBQOSA-N 2 1 346.437 3.271 20 0 EGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307986828 1384068865 /nfs/dbraw/zinc/06/88/65/1384068865.db2.gz DLMRBQZOLDXCPL-YUELXQCFSA-N 2 1 346.862 3.335 20 0 EGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307986828 1384068872 /nfs/dbraw/zinc/06/88/72/1384068872.db2.gz DLMRBQZOLDXCPL-YUELXQCFSA-N 2 1 346.862 3.335 20 0 EGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001307986828 1384068876 /nfs/dbraw/zinc/06/88/76/1384068876.db2.gz DLMRBQZOLDXCPL-YUELXQCFSA-N 2 1 346.862 3.335 20 0 EGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001307986828 1384068893 /nfs/dbraw/zinc/06/88/93/1384068893.db2.gz DLMRBQZOLDXCPL-YUELXQCFSA-N 2 1 346.862 3.335 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)C2 ZINC001169100291 1384107373 /nfs/dbraw/zinc/10/73/73/1384107373.db2.gz IIYNNDRBHLSCME-OHTBPHCPSA-N 2 1 329.271 3.242 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)C2 ZINC001169100291 1384107375 /nfs/dbraw/zinc/10/73/75/1384107375.db2.gz IIYNNDRBHLSCME-OHTBPHCPSA-N 2 1 329.271 3.242 20 0 EGADMP Cc1cc(F)cc(CN2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001169108812 1384108305 /nfs/dbraw/zinc/10/83/05/1384108305.db2.gz CKFLADHVWFVACH-MZADTFQBSA-N 2 1 345.506 3.313 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCN(Cc3cccc(Cl)c3)C1)C2 ZINC001169114826 1384108463 /nfs/dbraw/zinc/10/84/63/1384108463.db2.gz ZBHJBRZWDLWSLJ-CADBVGFASA-N 2 1 333.907 3.129 20 0 EGADMP CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169117374 1384109161 /nfs/dbraw/zinc/10/91/61/1384109161.db2.gz ZLYSQWHNQFFQSA-YXOJAJARSA-N 2 1 327.516 3.384 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169117374 1384109165 /nfs/dbraw/zinc/10/91/65/1384109165.db2.gz ZLYSQWHNQFFQSA-YXOJAJARSA-N 3 1 327.516 3.384 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169117374 1384109167 /nfs/dbraw/zinc/10/91/67/1384109167.db2.gz ZLYSQWHNQFFQSA-YXOJAJARSA-N 3 1 327.516 3.384 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169117374 1384109169 /nfs/dbraw/zinc/10/91/69/1384109169.db2.gz ZLYSQWHNQFFQSA-YXOJAJARSA-N 3 1 327.516 3.384 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001169117374 1384109171 /nfs/dbraw/zinc/10/91/71/1384109171.db2.gz ZLYSQWHNQFFQSA-YXOJAJARSA-N 3 1 327.516 3.384 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CC(C)(C)C)CC1)C2 ZINC001169115352 1384109185 /nfs/dbraw/zinc/10/91/85/1384109185.db2.gz JELDUUCCAJIDNE-BGRQEXKUSA-N 2 1 335.536 3.065 20 0 EGADMP CC1(C)c2c[nH+]c(N[C@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)cc2NC1=O ZINC001169141454 1384113060 /nfs/dbraw/zinc/11/30/60/1384113060.db2.gz JJAQADSPSWMIEA-HXPMCKFVSA-N 2 1 330.476 3.267 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145566 1384114472 /nfs/dbraw/zinc/11/44/72/1384114472.db2.gz MZOHVQKTWCNSRD-CLAROIROSA-N 2 1 339.527 3.210 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C1)C2 ZINC001169145566 1384114474 /nfs/dbraw/zinc/11/44/74/1384114474.db2.gz MZOHVQKTWCNSRD-CLAROIROSA-N 2 1 339.527 3.210 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C1)C2 ZINC001169145566 1384114476 /nfs/dbraw/zinc/11/44/76/1384114476.db2.gz MZOHVQKTWCNSRD-CLAROIROSA-N 2 1 339.527 3.210 20 0 EGADMP COc1ccccc1OC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169147644 1384114688 /nfs/dbraw/zinc/11/46/88/1384114688.db2.gz VKIVJNNTAXAZJA-FVQHAEBGSA-N 2 1 330.472 3.164 20 0 EGADMP CN([C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001169155128 1384115957 /nfs/dbraw/zinc/11/59/57/1384115957.db2.gz YIIKUPJAXMWIBL-JSXRDJHFSA-N 2 1 327.516 3.208 20 0 EGADMP CN([C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001169155128 1384115960 /nfs/dbraw/zinc/11/59/60/1384115960.db2.gz YIIKUPJAXMWIBL-JSXRDJHFSA-N 2 1 327.516 3.208 20 0 EGADMP CN([C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001169155128 1384115962 /nfs/dbraw/zinc/11/59/62/1384115962.db2.gz YIIKUPJAXMWIBL-JSXRDJHFSA-N 2 1 327.516 3.208 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H](c2ccccc2)C1 ZINC001169155101 1384116005 /nfs/dbraw/zinc/11/60/05/1384116005.db2.gz YBZJYFMPYQVUQD-OUUBHVDSSA-N 2 1 342.483 3.238 20 0 EGADMP COC(=O)[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H](c2ccccc2)C1 ZINC001169155101 1384116008 /nfs/dbraw/zinc/11/60/08/1384116008.db2.gz YBZJYFMPYQVUQD-OUUBHVDSSA-N 2 1 342.483 3.238 20 0 EGADMP COC(=O)[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H](c2ccccc2)C1 ZINC001169155101 1384116010 /nfs/dbraw/zinc/11/60/10/1384116010.db2.gz YBZJYFMPYQVUQD-OUUBHVDSSA-N 2 1 342.483 3.238 20 0 EGADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169163034 1384117800 /nfs/dbraw/zinc/11/78/00/1384117800.db2.gz XCTRTJWDDAIDJX-MANSERQUSA-N 2 1 328.456 3.235 20 0 EGADMP COC(=O)c1ccc([C@@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169163034 1384117801 /nfs/dbraw/zinc/11/78/01/1384117801.db2.gz XCTRTJWDDAIDJX-MANSERQUSA-N 2 1 328.456 3.235 20 0 EGADMP COC(=O)c1ccc([C@@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169163034 1384117802 /nfs/dbraw/zinc/11/78/02/1384117802.db2.gz XCTRTJWDDAIDJX-MANSERQUSA-N 2 1 328.456 3.235 20 0 EGADMP CCc1nn(C)c(CC)c1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001308359826 1384121651 /nfs/dbraw/zinc/12/16/51/1384121651.db2.gz IZCZVVMZAPDRTC-UHFFFAOYSA-N 2 1 332.536 3.289 20 0 EGADMP Cc1cc(-n2ccc([C@H](C)[NH3+])n2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001169228402 1384124817 /nfs/dbraw/zinc/12/48/17/1384124817.db2.gz PZSJIKQDPDFNAK-INIZCTEOSA-N 2 1 347.466 3.154 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](C)C(O)(c2ccccc2)c2ccccc2)CC1 ZINC001169230492 1384125309 /nfs/dbraw/zinc/12/53/09/1384125309.db2.gz CJAJHSKYOFSSBJ-GOSISDBHSA-N 2 1 338.495 3.385 20 0 EGADMP CCN1CCC([NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC001169238424 1384126114 /nfs/dbraw/zinc/12/61/14/1384126114.db2.gz HZTZMBJVWORONI-UHFFFAOYSA-N 2 1 333.495 3.112 20 0 EGADMP CCOc1cccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC001308488604 1384128369 /nfs/dbraw/zinc/12/83/69/1384128369.db2.gz OSZALCMWZAXEJF-IEBWSBKVSA-N 2 1 339.483 3.338 20 0 EGADMP CCOc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC001308488604 1384128370 /nfs/dbraw/zinc/12/83/70/1384128370.db2.gz OSZALCMWZAXEJF-IEBWSBKVSA-N 2 1 339.483 3.338 20 0 EGADMP CC[NH+]1CCC(N2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169268124 1384130569 /nfs/dbraw/zinc/13/05/69/1384130569.db2.gz GXORQVDUSYFIMC-RTWAWAEBSA-N 2 1 341.543 3.315 20 0 EGADMP CCN1CCC([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169268124 1384130571 /nfs/dbraw/zinc/13/05/71/1384130571.db2.gz GXORQVDUSYFIMC-RTWAWAEBSA-N 2 1 341.543 3.315 20 0 EGADMP CCN1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169268124 1384130573 /nfs/dbraw/zinc/13/05/73/1384130573.db2.gz GXORQVDUSYFIMC-RTWAWAEBSA-N 2 1 341.543 3.315 20 0 EGADMP CCN1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169268124 1384130576 /nfs/dbraw/zinc/13/05/76/1384130576.db2.gz GXORQVDUSYFIMC-RTWAWAEBSA-N 2 1 341.543 3.315 20 0 EGADMP CCN1CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169268124 1384130578 /nfs/dbraw/zinc/13/05/78/1384130578.db2.gz GXORQVDUSYFIMC-RTWAWAEBSA-N 2 1 341.543 3.315 20 0 EGADMP CCOC(=O)N1CCC[C@@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169672348 1384171501 /nfs/dbraw/zinc/17/15/01/1384171501.db2.gz OETGHHFVASKQKC-KZNAEPCWSA-N 2 1 339.524 3.225 20 0 EGADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169746163 1384181880 /nfs/dbraw/zinc/18/18/80/1384181880.db2.gz QUAKPYQXTQHEMZ-UFYCRDLUSA-N 2 1 343.515 3.272 20 0 EGADMP CCc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169810061 1384187569 /nfs/dbraw/zinc/18/75/69/1384187569.db2.gz NYQAFPYQBMGELP-PXNSSMCTSA-N 2 1 345.531 3.108 20 0 EGADMP Cc1ccc[nH+]c1N1CCC([NH2+]C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001169977545 1384208994 /nfs/dbraw/zinc/20/89/94/1384208994.db2.gz PMRJIYYMSXUWMF-UHFFFAOYSA-N 2 1 346.519 3.359 20 0 EGADMP CC[NH+](CC)CCN1CC[NH+]([C@@H](C)Cc2ccccc2Cl)CC1 ZINC001170267271 1384278919 /nfs/dbraw/zinc/27/89/19/1384278919.db2.gz VNCQLGJATWZNNF-KRWDZBQOSA-N 2 1 337.939 3.230 20 0 EGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001170432149 1384317788 /nfs/dbraw/zinc/31/77/88/1384317788.db2.gz QMRMQIKNKHKLOG-NXHRZFHOSA-N 2 1 332.488 3.445 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170529581 1384335866 /nfs/dbraw/zinc/33/58/66/1384335866.db2.gz NXTCEECIUYALMG-VBSBHUPXSA-N 2 1 344.499 3.409 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001170626561 1384353421 /nfs/dbraw/zinc/35/34/21/1384353421.db2.gz GPKPHBVKEHJSJI-UHFFFAOYSA-N 2 1 328.504 3.190 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001170749888 1384377563 /nfs/dbraw/zinc/37/75/63/1384377563.db2.gz DHDADQJLWYBZHE-MSOLQXFVSA-N 2 1 325.541 3.170 20 0 EGADMP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170870824 1384401887 /nfs/dbraw/zinc/40/18/87/1384401887.db2.gz KAOIIUAIXVAYRC-XCLUONLBSA-N 2 1 337.552 3.338 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CC1 ZINC001170879728 1384403823 /nfs/dbraw/zinc/40/38/23/1384403823.db2.gz ZUCSYOZPRXUZTI-HZPDHXFCSA-N 2 1 334.508 3.071 20 0 EGADMP CCC(=O)Nc1cc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)cc[nH+]1 ZINC001171098405 1384445713 /nfs/dbraw/zinc/44/57/13/1384445713.db2.gz FOYYNJIZQBORJU-ZDUSSCGKSA-N 2 1 334.423 3.190 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCCCC1 ZINC001316606007 1384474026 /nfs/dbraw/zinc/47/40/26/1384474026.db2.gz MEXQUMBCDYDCMN-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCCCC1 ZINC001316606007 1384474027 /nfs/dbraw/zinc/47/40/27/1384474027.db2.gz MEXQUMBCDYDCMN-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001316606007 1384474029 /nfs/dbraw/zinc/47/40/29/1384474029.db2.gz MEXQUMBCDYDCMN-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001171236514 1384476556 /nfs/dbraw/zinc/47/65/56/1384476556.db2.gz NGICEQQOODSRPA-OALUTQOASA-N 2 1 339.568 3.419 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171254326 1384479846 /nfs/dbraw/zinc/47/98/46/1384479846.db2.gz RAJYIMSRAOKQQJ-MRXNPFEDSA-N 2 1 325.541 3.172 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171254562 1384479976 /nfs/dbraw/zinc/47/99/76/1384479976.db2.gz UNYGDMKBYMPHPC-DKFQHHCZSA-N 2 1 337.552 3.482 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171538192 1384556265 /nfs/dbraw/zinc/55/62/65/1384556265.db2.gz KRAZJIOCDYHGGM-IRXDYDNUSA-N 2 1 325.541 3.172 20 0 EGADMP Cc1cccc2c1CC[C@@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C2 ZINC001171559824 1384562263 /nfs/dbraw/zinc/56/22/63/1384562263.db2.gz ODHWEAGLSDTOBR-GOSISDBHSA-N 3 1 331.548 3.328 20 0 EGADMP CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171637264 1384587795 /nfs/dbraw/zinc/58/77/95/1384587795.db2.gz LQXDKQKIRZPGFM-FXAWDEMLSA-N 2 1 338.536 3.298 20 0 EGADMP CC(C)C(=O)N1CC[C@@H]2C[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC[C@H]21 ZINC001171637254 1384587941 /nfs/dbraw/zinc/58/79/41/1384587941.db2.gz LLJFBSZCSKPTCI-SJLPKXTDSA-N 2 1 349.563 3.217 20 0 EGADMP CC[N@@H+](CCNC(=O)OC(C)(C)C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642254 1384590414 /nfs/dbraw/zinc/59/04/14/1384590414.db2.gz HZSPOEMWDIDYQU-UHFFFAOYSA-N 2 1 341.540 3.484 20 0 EGADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001171675346 1384598717 /nfs/dbraw/zinc/59/87/17/1384598717.db2.gz PYHVDZXTCMOAGR-SESVDKBCSA-N 2 1 329.532 3.026 20 0 EGADMP CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171964877 1384697585 /nfs/dbraw/zinc/69/75/85/1384697585.db2.gz HZBHNBLDEAYXLF-HXUWFJFHSA-N 2 1 343.515 3.030 20 0 EGADMP CCOC(=O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967745 1384698322 /nfs/dbraw/zinc/69/83/22/1384698322.db2.gz BBCMJYDMNVWVNB-SFHVURJKSA-N 2 1 332.488 3.363 20 0 EGADMP CC[N@H+]1CCCN([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171975298 1384700421 /nfs/dbraw/zinc/70/04/21/1384700421.db2.gz BPTFQYKZCWWFSL-FQEVSTJZSA-N 2 1 329.532 3.457 20 0 EGADMP CC[NH+]1CCCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171975298 1384700426 /nfs/dbraw/zinc/70/04/26/1384700426.db2.gz BPTFQYKZCWWFSL-FQEVSTJZSA-N 2 1 329.532 3.457 20 0 EGADMP CC[NH+]1CCCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171975298 1384700428 /nfs/dbraw/zinc/70/04/28/1384700428.db2.gz BPTFQYKZCWWFSL-FQEVSTJZSA-N 2 1 329.532 3.457 20 0 EGADMP CC1(C)C[C@H](N2C[C@H](CO)C[C@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976247 1384700779 /nfs/dbraw/zinc/70/07/79/1384700779.db2.gz JOJBJYGXOWJWLC-CEXWTWQISA-N 2 1 334.479 3.082 20 0 EGADMP CC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984343 1384703677 /nfs/dbraw/zinc/70/36/77/1384703677.db2.gz KIYFSHASPJRMAY-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC(=O)N[C@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984343 1384703679 /nfs/dbraw/zinc/70/36/79/1384703679.db2.gz KIYFSHASPJRMAY-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC(=O)N[C@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984343 1384703682 /nfs/dbraw/zinc/70/36/82/1384703682.db2.gz KIYFSHASPJRMAY-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC(=O)N[C@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984343 1384703685 /nfs/dbraw/zinc/70/36/85/1384703685.db2.gz KIYFSHASPJRMAY-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC1(C)C[C@@H](N2CC[NH+]3CCC[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171985774 1384704433 /nfs/dbraw/zinc/70/44/33/1384704433.db2.gz ZQFJIVXGRANGPX-PMACEKPBSA-N 2 1 327.516 3.210 20 0 EGADMP CC1(C)C[C@@H](N2CC[N@@H+]3CCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171985774 1384704435 /nfs/dbraw/zinc/70/44/35/1384704435.db2.gz ZQFJIVXGRANGPX-PMACEKPBSA-N 2 1 327.516 3.210 20 0 EGADMP CC1(C)C[C@@H](N2CC[N@H+]3CCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171985774 1384704439 /nfs/dbraw/zinc/70/44/39/1384704439.db2.gz ZQFJIVXGRANGPX-PMACEKPBSA-N 2 1 327.516 3.210 20 0 EGADMP O[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063624 1384715608 /nfs/dbraw/zinc/71/56/08/1384715608.db2.gz CHGIHOOMHZFSOD-ADAARDCZSA-N 2 1 328.500 3.465 20 0 EGADMP OCC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC001172065165 1384715909 /nfs/dbraw/zinc/71/59/09/1384715909.db2.gz LYPONTDZMDUFSQ-OWZKRDHZSA-N 2 1 328.500 3.467 20 0 EGADMP CC[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172076753 1384719267 /nfs/dbraw/zinc/71/92/67/1384719267.db2.gz HNNLPYLSZZWCCD-WKCHPHFGSA-N 2 1 327.516 3.210 20 0 EGADMP F[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074539 1384719396 /nfs/dbraw/zinc/71/93/96/1384719396.db2.gz WYSHIRRJCPEGCC-OUUBHVDSSA-N 2 1 332.463 3.289 20 0 EGADMP F[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074539 1384719400 /nfs/dbraw/zinc/71/94/00/1384719400.db2.gz WYSHIRRJCPEGCC-OUUBHVDSSA-N 2 1 332.463 3.289 20 0 EGADMP CN([C@H]1CC[N@@H+](C)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074550 1384719859 /nfs/dbraw/zinc/71/98/59/1384719859.db2.gz JEIPQTZRCGRNPM-WOZUAGRISA-N 2 1 327.516 3.208 20 0 EGADMP CN([C@H]1CC[NH+](C)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074550 1384719862 /nfs/dbraw/zinc/71/98/62/1384719862.db2.gz JEIPQTZRCGRNPM-WOZUAGRISA-N 2 1 327.516 3.208 20 0 EGADMP CN([C@H]1CC[NH+](C)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074550 1384719866 /nfs/dbraw/zinc/71/98/66/1384719866.db2.gz JEIPQTZRCGRNPM-WOZUAGRISA-N 2 1 327.516 3.208 20 0 EGADMP Cn1cc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172074063 1384720876 /nfs/dbraw/zinc/72/08/76/1384720876.db2.gz TXBIOGSJIUUQDD-WKCHPHFGSA-N 2 1 338.499 3.138 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC([NH3+])(c3cccc(F)c3)CC1)C2 ZINC001172107693 1384728701 /nfs/dbraw/zinc/72/87/01/1384728701.db2.gz ATMAPRCECLNSPL-REPLKXPHSA-N 2 1 331.479 3.091 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCN(Cc3ccccc3F)C1)C2 ZINC001172113611 1384730482 /nfs/dbraw/zinc/73/04/82/1384730482.db2.gz ICFHVVNPJSLFKT-MKXGPGLRSA-N 2 1 331.479 3.005 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCN(Cc3ccccc3F)C1)C2 ZINC001172113611 1384730485 /nfs/dbraw/zinc/73/04/85/1384730485.db2.gz ICFHVVNPJSLFKT-MKXGPGLRSA-N 2 1 331.479 3.005 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(F)c(F)c3)CC1)C2 ZINC001172114093 1384731715 /nfs/dbraw/zinc/73/17/15/1384731715.db2.gz PFUHYQFOQXRKMK-QLPKVWCKSA-N 2 1 335.442 3.102 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(F)c(F)c3)CC1)C2 ZINC001172114093 1384731718 /nfs/dbraw/zinc/73/17/18/1384731718.db2.gz PFUHYQFOQXRKMK-QLPKVWCKSA-N 2 1 335.442 3.102 20 0 EGADMP CC(C)CCNC(=O)[C@H](CC(C)C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112725 1384731757 /nfs/dbraw/zinc/73/17/57/1384731757.db2.gz ZAGITTGKHOZYSQ-RDGPPVDQSA-N 2 1 337.552 3.168 20 0 EGADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@@]1(O)C(F)(F)F ZINC001172116189 1384732416 /nfs/dbraw/zinc/73/24/16/1384732416.db2.gz BDDBXBNIOTVMFN-LJIZCISZSA-N 2 1 334.426 3.027 20 0 EGADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@@]1(O)C(F)(F)F ZINC001172116189 1384732420 /nfs/dbraw/zinc/73/24/20/1384732420.db2.gz BDDBXBNIOTVMFN-LJIZCISZSA-N 2 1 334.426 3.027 20 0 EGADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC[C@@]1(O)C(F)(F)F ZINC001172116189 1384732421 /nfs/dbraw/zinc/73/24/21/1384732421.db2.gz BDDBXBNIOTVMFN-LJIZCISZSA-N 2 1 334.426 3.027 20 0 EGADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC[C@@]1(O)C(F)(F)F ZINC001172116189 1384732424 /nfs/dbraw/zinc/73/24/24/1384732424.db2.gz BDDBXBNIOTVMFN-LJIZCISZSA-N 2 1 334.426 3.027 20 0 EGADMP CC(C)[C@H](C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)NC(=O)OC(C)(C)C ZINC001172118490 1384732699 /nfs/dbraw/zinc/73/26/99/1384732699.db2.gz QXHFSNFEUQTGNY-YVSFHVDLSA-N 2 1 339.524 3.141 20 0 EGADMP COc1cc(C[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc(OC)c1OC ZINC001172125024 1384736451 /nfs/dbraw/zinc/73/64/51/1384736451.db2.gz NUGOPXZGJLMCNB-BJWYYQGGSA-N 2 1 348.487 3.160 20 0 EGADMP COc1cc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc(OC)c1OC ZINC001172125024 1384736454 /nfs/dbraw/zinc/73/64/54/1384736454.db2.gz NUGOPXZGJLMCNB-BJWYYQGGSA-N 2 1 348.487 3.160 20 0 EGADMP COc1cc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(OC)c1OC ZINC001172125024 1384736455 /nfs/dbraw/zinc/73/64/55/1384736455.db2.gz NUGOPXZGJLMCNB-BJWYYQGGSA-N 2 1 348.487 3.160 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC3(CC[NH2+]CC3)c3ccccc31)C2 ZINC001172129058 1384737997 /nfs/dbraw/zinc/73/79/97/1384737997.db2.gz VVANWAYZFBSCEH-PIIMJCKOSA-N 2 1 325.500 3.143 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@@H]2CSc3ccccc3C2)CC1 ZINC001172201863 1384747060 /nfs/dbraw/zinc/74/70/60/1384747060.db2.gz ORBKGUKLCDFECC-LNLFQRSKSA-N 2 1 346.540 3.454 20 0 EGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC001172556331 1384811084 /nfs/dbraw/zinc/81/10/84/1384811084.db2.gz AKQNLUXKMUQSHP-MSOLQXFVSA-N 2 1 327.472 3.453 20 0 EGADMP [NH3+]C1(c2cccnc2)CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172714484 1384835208 /nfs/dbraw/zinc/83/52/08/1384835208.db2.gz ACMCAAZVNHHLDJ-GOSISDBHSA-N 2 1 327.859 3.152 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172829370 1384860188 /nfs/dbraw/zinc/86/01/88/1384860188.db2.gz AKFQSTLXCWOYAL-YADHBBJMSA-N 2 1 342.527 3.428 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173075359 1384908575 /nfs/dbraw/zinc/90/85/75/1384908575.db2.gz KOSUPEAMDCSLOS-HOTGVXAUSA-N 2 1 327.513 3.048 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)CC1 ZINC001173108327 1384916458 /nfs/dbraw/zinc/91/64/58/1384916458.db2.gz BQPDLGIBDIKPHO-LMPOIIKSSA-N 2 1 336.442 3.275 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCc3cc4c(cc3C2)OCO4)CC1 ZINC001173109284 1384916470 /nfs/dbraw/zinc/91/64/70/1384916470.db2.gz GAFIJACHYVFGFZ-UHFFFAOYSA-N 2 1 330.472 3.426 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H]([C@H](N)C(F)(F)F)C2)CC1 ZINC001173109752 1384916968 /nfs/dbraw/zinc/91/69/68/1384916968.db2.gz GFCGOOUUGBNLKQ-LBDPXKHJSA-N 2 1 335.458 3.241 20 0 EGADMP CC[NH+](CC)C1CCC([N@@H+](C)CC(=O)OCc2ccccc2)CC1 ZINC001173112719 1384917988 /nfs/dbraw/zinc/91/79/88/1384917988.db2.gz CFFXLSFLBBTRGX-UHFFFAOYSA-N 2 1 332.488 3.315 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCCN(C(=O)CC(C)C)CC2)CC1 ZINC001173113538 1384918046 /nfs/dbraw/zinc/91/80/46/1384918046.db2.gz SXTBUCPNRBWSKQ-UHFFFAOYSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](N3CCCC3)[C@@H](F)C2)CC1 ZINC001173117828 1384918623 /nfs/dbraw/zinc/91/86/23/1384918623.db2.gz ZGCSKOFVTRMDMH-WZOJCFFYSA-N 2 1 325.516 3.148 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](N3CCCC3)[C@@H](F)C2)CC1 ZINC001173117828 1384918626 /nfs/dbraw/zinc/91/86/26/1384918626.db2.gz ZGCSKOFVTRMDMH-WZOJCFFYSA-N 2 1 325.516 3.148 20 0 EGADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CCO1 ZINC001173174812 1384930899 /nfs/dbraw/zinc/93/08/99/1384930899.db2.gz CTKRSTFCUBDQIM-ZIBCJSCZSA-N 2 1 328.500 3.398 20 0 EGADMP C[C@H]1C[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CCO1 ZINC001173174812 1384930902 /nfs/dbraw/zinc/93/09/02/1384930902.db2.gz CTKRSTFCUBDQIM-ZIBCJSCZSA-N 2 1 328.500 3.398 20 0 EGADMP C[C@H]1C[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CCO1 ZINC001173174812 1384930904 /nfs/dbraw/zinc/93/09/04/1384930904.db2.gz CTKRSTFCUBDQIM-ZIBCJSCZSA-N 2 1 328.500 3.398 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@H+]2CCC2CCCC2)CCC1 ZINC001317173038 1384941598 /nfs/dbraw/zinc/94/15/98/1384941598.db2.gz MBVRJDPMSBTTQW-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CCSC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC001173294649 1384952724 /nfs/dbraw/zinc/95/27/24/1384952724.db2.gz DFDLYRYAHMKKCT-MRXNPFEDSA-N 2 1 336.545 3.433 20 0 EGADMP CC[N@H+]1CC[C@@H](N2CCC([NH3+])(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001173355043 1384963613 /nfs/dbraw/zinc/96/36/13/1384963613.db2.gz WGLRVSMDKZQUEK-MRXNPFEDSA-N 2 1 341.421 3.049 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1F ZINC001317196848 1384970912 /nfs/dbraw/zinc/97/09/12/1384970912.db2.gz HOGFUYSDKNTRNR-SFHVURJKSA-N 2 1 349.494 3.028 20 0 EGADMP COC(=O)CCCC[C@H](C)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173443482 1384971215 /nfs/dbraw/zinc/97/12/15/1384971215.db2.gz QPHYJQQZMZJADH-WDSOQIARSA-N 2 1 347.503 3.275 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173715190 1385007650 /nfs/dbraw/zinc/00/76/50/1385007650.db2.gz UBDPMQDBHCAMPB-YSSFQJQWSA-N 2 1 344.499 3.386 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001317269357 1385039192 /nfs/dbraw/zinc/03/91/92/1385039192.db2.gz CLJXMSHPXTZAKT-HUUCEWRRSA-N 2 1 346.450 3.001 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001317382204 1385108509 /nfs/dbraw/zinc/10/85/09/1385108509.db2.gz WCAJWHODFGJDGW-OALUTQOASA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001317382204 1385108511 /nfs/dbraw/zinc/10/85/11/1385108511.db2.gz WCAJWHODFGJDGW-OALUTQOASA-N 2 1 345.531 3.321 20 0 EGADMP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001174882884 1385165000 /nfs/dbraw/zinc/16/50/00/1385165000.db2.gz XOZDGRMVFMUBPT-IEBWSBKVSA-N 2 1 337.552 3.457 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174905851 1385168372 /nfs/dbraw/zinc/16/83/72/1385168372.db2.gz OOBNGZFDYIJWGW-LNLFQRSKSA-N 2 1 337.552 3.172 20 0 EGADMP CC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)[C@@H](C)c1cccc(C)c1 ZINC001317481182 1385177379 /nfs/dbraw/zinc/17/73/79/1385177379.db2.gz HGIVYRZOGVFHOK-SFHVURJKSA-N 2 1 343.515 3.123 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175262705 1385233141 /nfs/dbraw/zinc/23/31/41/1385233141.db2.gz KDZHSRKYYRBXDF-IRXDYDNUSA-N 2 1 325.541 3.029 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175262649 1385233833 /nfs/dbraw/zinc/23/38/33/1385233833.db2.gz JCGJJWAJRHKBMM-ROUUACIJSA-N 2 1 335.536 3.093 20 0 EGADMP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175271843 1385237358 /nfs/dbraw/zinc/23/73/58/1385237358.db2.gz FTZOUOLRFBOSIF-QGZVFWFLSA-N 2 1 339.568 3.419 20 0 EGADMP CN(C)c1ncc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c2ccccc21 ZINC001335943776 1388972574 /nfs/dbraw/zinc/97/25/74/1388972574.db2.gz VVDKMGOOUARADU-QGZVFWFLSA-N 2 1 326.488 3.217 20 0 EGADMP CN(C)c1ncc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c2ccccc21 ZINC001335943776 1388972578 /nfs/dbraw/zinc/97/25/78/1388972578.db2.gz VVDKMGOOUARADU-QGZVFWFLSA-N 2 1 326.488 3.217 20 0 EGADMP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2Cc2ccnc(N(C)C)c2)CC1 ZINC001175351382 1385262915 /nfs/dbraw/zinc/26/29/15/1385262915.db2.gz LKACPADHBVMCIJ-LJQANCHMSA-N 2 1 330.520 3.234 20 0 EGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2Cc2ccnc(N(C)C)c2)CC1 ZINC001175351382 1385262918 /nfs/dbraw/zinc/26/29/18/1385262918.db2.gz LKACPADHBVMCIJ-LJQANCHMSA-N 2 1 330.520 3.234 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CC1CC1 ZINC001317547934 1385300176 /nfs/dbraw/zinc/30/01/76/1385300176.db2.gz QBSHVNMOANGIJS-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)CC1CC1 ZINC001317547934 1385300181 /nfs/dbraw/zinc/30/01/81/1385300181.db2.gz QBSHVNMOANGIJS-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)CC1CC1 ZINC001317547934 1385300184 /nfs/dbraw/zinc/30/01/84/1385300184.db2.gz QBSHVNMOANGIJS-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001175528373 1385321138 /nfs/dbraw/zinc/32/11/38/1385321138.db2.gz FIRBHYGLWFTJDN-MRXNPFEDSA-N 2 1 334.508 3.071 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl ZINC001175574038 1385336270 /nfs/dbraw/zinc/33/62/70/1385336270.db2.gz SYNULKKFLPCQDT-GJGKEFFFSA-N 2 1 343.943 3.266 20 0 EGADMP CC[NH+]1CCN(c2ccc(Nc3[nH+]c4ccccc4n3C)cc2)CC1 ZINC001175779214 1385402789 /nfs/dbraw/zinc/40/27/89/1385402789.db2.gz BBKOURVAJOUVRT-UHFFFAOYSA-N 2 1 335.455 3.459 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001176166581 1385500662 /nfs/dbraw/zinc/50/06/62/1385500662.db2.gz SKDDQMZKRKELEM-UYAOXDASSA-N 2 1 345.531 3.101 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCc1ccccc1 ZINC001176269761 1385533541 /nfs/dbraw/zinc/53/35/41/1385533541.db2.gz XVKSXZAYYGXFGK-IBGZPJMESA-N 2 1 347.547 3.226 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCCc1ccccc1 ZINC001176293174 1385541742 /nfs/dbraw/zinc/54/17/42/1385541742.db2.gz OPFXPUXVCGRAAC-IBGZPJMESA-N 2 1 347.547 3.226 20 0 EGADMP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001176367184 1385565574 /nfs/dbraw/zinc/56/55/74/1385565574.db2.gz HDROLHQAADDVJI-NQIIRXRSSA-N 2 1 347.547 3.237 20 0 EGADMP C[C@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176566150 1385627419 /nfs/dbraw/zinc/62/74/19/1385627419.db2.gz YWVKOIUXRNQUBQ-MJGOQNOKSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH2+][C@H](C)c1ccccc1 ZINC001176591746 1385634824 /nfs/dbraw/zinc/63/48/24/1385634824.db2.gz OITUHGFOOJXEGZ-IAGOWNOFSA-N 2 1 342.487 3.217 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176753205 1385683937 /nfs/dbraw/zinc/68/39/37/1385683937.db2.gz CWDUKZNRVXLVBB-ROUUACIJSA-N 2 1 327.557 3.273 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1C ZINC001176754183 1385684080 /nfs/dbraw/zinc/68/40/80/1385684080.db2.gz SOTIRMGYKXJGPJ-LJQANCHMSA-N 2 1 347.547 3.408 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCCCF ZINC001176759620 1385686567 /nfs/dbraw/zinc/68/65/67/1385686567.db2.gz LWYFGEVACWXTSD-ROUUACIJSA-N 2 1 343.531 3.265 20 0 EGADMP Cc1c[nH+]c2ccccc2c1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001318867342 1385866019 /nfs/dbraw/zinc/86/60/19/1385866019.db2.gz NWUGOXULHAJWEJ-NRFANRHFSA-N 2 1 347.462 3.451 20 0 EGADMP CC/C=C/CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001177266331 1385890044 /nfs/dbraw/zinc/89/00/44/1385890044.db2.gz DPAWZDFEHRIFNF-SGSXCFNPSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001177317321 1385911863 /nfs/dbraw/zinc/91/18/63/1385911863.db2.gz UNGQFFBBLDXZRZ-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001177339944 1385920545 /nfs/dbraw/zinc/92/05/45/1385920545.db2.gz WCEZNJZHJNWUQA-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001177348207 1385923503 /nfs/dbraw/zinc/92/35/03/1385923503.db2.gz CPDIWRLQRMOZJZ-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(CCC[NH2+]CC)CC2CCCC2)C1 ZINC001177394515 1385941717 /nfs/dbraw/zinc/94/17/17/1385941717.db2.gz HZGDXTSSSKCMQJ-IBGZPJMESA-N 2 1 337.552 3.127 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc3nccn32)cc1F ZINC001177454806 1385961507 /nfs/dbraw/zinc/96/15/07/1385961507.db2.gz XZNPVRVOOOSYSL-UHFFFAOYSA-N 2 1 335.386 3.257 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cccnc1Cl ZINC001319207447 1386005918 /nfs/dbraw/zinc/00/59/18/1386005918.db2.gz MEOAMVQXEZPFKG-HNNXBMFYSA-N 2 1 344.890 3.338 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001178467876 1386226354 /nfs/dbraw/zinc/22/63/54/1386226354.db2.gz JMTUYSHNMCJNKV-LJQANCHMSA-N 2 1 337.552 3.316 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]CCC(C)C)CC[N@H+]1C ZINC001178527418 1386241748 /nfs/dbraw/zinc/24/17/48/1386241748.db2.gz LKGOYBINCGDWHS-ZWKOTPCHSA-N 2 1 325.541 3.029 20 0 EGADMP CCCC[NH2+]CCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001178528439 1386241923 /nfs/dbraw/zinc/24/19/23/1386241923.db2.gz YWKFOHOOSZNSMZ-KRWDZBQOSA-N 2 1 336.524 3.463 20 0 EGADMP CCCCCC[NH2+]CCCCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001178705063 1386284542 /nfs/dbraw/zinc/28/45/42/1386284542.db2.gz BOFMSCUVBVFTGK-UHFFFAOYSA-N 2 1 325.541 3.317 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001178811411 1386314098 /nfs/dbraw/zinc/31/40/98/1386314098.db2.gz UYBQOKDTZPVHGA-RBUKOAKNSA-N 2 1 335.536 3.070 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001319827634 1386321632 /nfs/dbraw/zinc/32/16/32/1386321632.db2.gz RGRWGXRBENPXBQ-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]CC1CC(F)(F)C1 ZINC001178853990 1386329819 /nfs/dbraw/zinc/32/98/19/1386329819.db2.gz RXCHKKOGPQEMBE-UHFFFAOYSA-N 2 1 347.494 3.028 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCCCCC[NH2+]C[C@H](C)CC(C)C ZINC001179029243 1386381127 /nfs/dbraw/zinc/38/11/27/1386381127.db2.gz DYNCEHSNGWRRTN-QGZVFWFLSA-N 2 1 336.524 3.140 20 0 EGADMP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001179388441 1386471529 /nfs/dbraw/zinc/47/15/29/1386471529.db2.gz GVOFPPPCQNNAJI-PMEOWRCESA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001179395025 1386473540 /nfs/dbraw/zinc/47/35/40/1386473540.db2.gz DBXWWNOPRDCWGL-AEFFLSMTSA-N 2 1 348.535 3.066 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001179585448 1386523071 /nfs/dbraw/zinc/52/30/71/1386523071.db2.gz HZXPWSOYFIHDSO-RBUKOAKNSA-N 2 1 339.568 3.277 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001179587300 1386524254 /nfs/dbraw/zinc/52/42/54/1386524254.db2.gz YCSXPGUDXFAYMO-SJLPKXTDSA-N 2 1 348.535 3.066 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001179593114 1386526710 /nfs/dbraw/zinc/52/67/10/1386526710.db2.gz WGTXLQYIDGWPHM-UHFFFAOYSA-N 2 1 325.541 3.031 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCCCCC[NH2+]CC[C@H](C)F ZINC001179713996 1386562084 /nfs/dbraw/zinc/56/20/84/1386562084.db2.gz AJCNKJRPQSFCOC-INIZCTEOSA-N 2 1 340.487 3.021 20 0 EGADMP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001179777187 1386581693 /nfs/dbraw/zinc/58/16/93/1386581693.db2.gz PSUOCNAFSMKLIO-VGOKWCNXSA-N 2 1 334.508 3.211 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179792552 1386587440 /nfs/dbraw/zinc/58/74/40/1386587440.db2.gz ROFSPHCZAKFDNT-OALUTQOASA-N 2 1 337.552 3.316 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCCCC[NH2+]CCCCCF ZINC001180351391 1386771941 /nfs/dbraw/zinc/77/19/41/1386771941.db2.gz AXXXICBCUHJRAH-HDICACEKSA-N 2 1 343.531 3.265 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc2)cn1 ZINC001321028306 1386787994 /nfs/dbraw/zinc/78/79/94/1386787994.db2.gz AAGKKRRLAUXCMG-IBGZPJMESA-N 2 1 338.499 3.395 20 0 EGADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(-c2cnn(C)c2)cc1 ZINC001321071450 1386800537 /nfs/dbraw/zinc/80/05/37/1386800537.db2.gz SCSOMZHZCNGFSR-HXUWFJFHSA-N 2 1 326.488 3.393 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+](C)CC[C@H]3CCCC[NH+]3C)cc2)cn1 ZINC001321071450 1386800538 /nfs/dbraw/zinc/80/05/38/1386800538.db2.gz SCSOMZHZCNGFSR-HXUWFJFHSA-N 2 1 326.488 3.393 20 0 EGADMP Cn1cc(-c2ccc(C[N@@H+](C)CC[C@H]3CCCC[NH+]3C)cc2)cn1 ZINC001321071450 1386800540 /nfs/dbraw/zinc/80/05/40/1386800540.db2.gz SCSOMZHZCNGFSR-HXUWFJFHSA-N 2 1 326.488 3.393 20 0 EGADMP Cn1cc(-c2ccc(C[NH+](C)CC[C@H]3CCCC[N@@H+]3C)cc2)cn1 ZINC001321071450 1386800542 /nfs/dbraw/zinc/80/05/42/1386800542.db2.gz SCSOMZHZCNGFSR-HXUWFJFHSA-N 2 1 326.488 3.393 20 0 EGADMP Cn1cc(-c2ccc(C[NH+](C)CC[C@H]3CCCC[N@H+]3C)cc2)cn1 ZINC001321071450 1386800543 /nfs/dbraw/zinc/80/05/43/1386800543.db2.gz SCSOMZHZCNGFSR-HXUWFJFHSA-N 2 1 326.488 3.393 20 0 EGADMP CCC[N@@H+](C)[C@@H](CNC(=O)C[NH2+]C(C)(C)C)c1ccc(Cl)cc1 ZINC001322067978 1387044170 /nfs/dbraw/zinc/04/41/70/1387044170.db2.gz CMKURHRUNNFKIQ-INIZCTEOSA-N 2 1 339.911 3.227 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@]1(C)C[NH2+]CCCC1CCC1 ZINC001181904426 1387073636 /nfs/dbraw/zinc/07/36/36/1387073636.db2.gz SLUUJHYQMSFJOW-YFVAEKQCSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@]1(C)C[NH2+]CCC1CCCC1 ZINC001181903404 1387073784 /nfs/dbraw/zinc/07/37/84/1387073784.db2.gz HXMGNGAQVWOCFS-SLYNCCJLSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC(C)C)C1 ZINC001181941323 1387079259 /nfs/dbraw/zinc/07/92/59/1387079259.db2.gz GMRTWJQRGJRCHT-YLJYHZDGSA-N 2 1 339.568 3.227 20 0 EGADMP Cc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001322156497 1387079696 /nfs/dbraw/zinc/07/96/96/1387079696.db2.gz KCOHTIFEPVEMCR-GOSISDBHSA-N 2 1 345.531 3.196 20 0 EGADMP C[C@@H](C[N@@H+](C)CCCC(C)(C)C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001322244930 1387117984 /nfs/dbraw/zinc/11/79/84/1387117984.db2.gz RFIMSEXIACMSOS-INIZCTEOSA-N 2 1 327.557 3.227 20 0 EGADMP C[C@@H](C[NH+](C)CCCC(C)(C)C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001322244930 1387117987 /nfs/dbraw/zinc/11/79/87/1387117987.db2.gz RFIMSEXIACMSOS-INIZCTEOSA-N 2 1 327.557 3.227 20 0 EGADMP C[C@@H](C[NH+](C)CCCC(C)(C)C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001322244930 1387117989 /nfs/dbraw/zinc/11/79/89/1387117989.db2.gz RFIMSEXIACMSOS-INIZCTEOSA-N 2 1 327.557 3.227 20 0 EGADMP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cccc3c2OCCO3)n1 ZINC001322861224 1387248098 /nfs/dbraw/zinc/24/80/98/1387248098.db2.gz HZFYVJUJFOZDLN-QGZVFWFLSA-N 2 1 339.439 3.238 20 0 EGADMP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001329569428 1389159432 /nfs/dbraw/zinc/15/94/32/1389159432.db2.gz AVEIMYVVVGHYGG-HZPDHXFCSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001329569430 1389159599 /nfs/dbraw/zinc/15/95/99/1389159599.db2.gz AVEIMYVVVGHYGG-JKSUJKDBSA-N 2 1 349.494 3.055 20 0 EGADMP Cc1cc(CO)cc(NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC001330046402 1389293284 /nfs/dbraw/zinc/29/32/84/1389293284.db2.gz RBHSUJNHDCCTHM-HXUWFJFHSA-N 2 1 325.456 3.206 20 0 EGADMP Cc1cc(CO)cc(NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC001330046402 1389293286 /nfs/dbraw/zinc/29/32/86/1389293286.db2.gz RBHSUJNHDCCTHM-HXUWFJFHSA-N 2 1 325.456 3.206 20 0 EGADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H]2CCCC[C@@H]12 ZINC001330545463 1389451196 /nfs/dbraw/zinc/45/11/96/1389451196.db2.gz VXCXUQXLCZTMLZ-GXUNQHPWSA-N 2 1 349.563 3.170 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001698730595 1406380335 /nfs/dbraw/zinc/38/03/35/1406380335.db2.gz PYDNVXWDDDNEMM-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]CC1CCC(C)(C)CC1 ZINC001698747416 1406398531 /nfs/dbraw/zinc/39/85/31/1406398531.db2.gz CIEUVIWURRUXIT-MRXNPFEDSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@@H]1C[C@H](C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC001340156266 1390238697 /nfs/dbraw/zinc/23/86/97/1390238697.db2.gz ZRFZMJXREXVMJQ-FGTMMUONSA-N 2 1 343.515 3.065 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001340648155 1390336540 /nfs/dbraw/zinc/33/65/40/1390336540.db2.gz JERQALZZEXDEOM-UHOSZYNNSA-N 2 1 335.536 3.007 20 0 EGADMP FC(F)(F)c1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC001333600009 1390349694 /nfs/dbraw/zinc/34/96/94/1390349694.db2.gz YZXXADKEMZKLFV-GJZGRUSLSA-N 2 1 327.394 3.358 20 0 EGADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001333839732 1390419530 /nfs/dbraw/zinc/41/95/30/1390419530.db2.gz BWMUIOSBKDINJP-SQWLQELKSA-N 2 1 346.906 3.389 20 0 EGADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(Cl)cc1O ZINC001334358152 1390524647 /nfs/dbraw/zinc/52/46/47/1390524647.db2.gz WYDZBNCOPDJTPR-GZBFAFLISA-N 2 1 338.879 3.216 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC001334416389 1390533994 /nfs/dbraw/zinc/53/39/94/1390533994.db2.gz VQXQKQAEYDCIHT-CABCVRRESA-N 2 1 328.378 3.011 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC001334416389 1390533996 /nfs/dbraw/zinc/53/39/96/1390533996.db2.gz VQXQKQAEYDCIHT-CABCVRRESA-N 2 1 328.378 3.011 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC001334416389 1390533999 /nfs/dbraw/zinc/53/39/99/1390533999.db2.gz VQXQKQAEYDCIHT-CABCVRRESA-N 2 1 328.378 3.011 20 0 EGADMP C[C@H](CC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC001343021169 1390684847 /nfs/dbraw/zinc/68/48/47/1390684847.db2.gz HZPKBWVAMSWVOY-HZPDHXFCSA-N 2 1 330.476 3.036 20 0 EGADMP COc1ccc(C[C@H](C)[N@@H+](C)C[C@@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC001345204851 1390847669 /nfs/dbraw/zinc/84/76/69/1390847669.db2.gz PLERSDZAHJGROZ-QFBILLFUSA-N 2 1 342.483 3.309 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@H](NC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001479905022 1392471830 /nfs/dbraw/zinc/47/18/30/1392471830.db2.gz MTUMOVMYXRDDRF-MJGOQNOKSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCC[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001479905022 1392471831 /nfs/dbraw/zinc/47/18/31/1392471831.db2.gz MTUMOVMYXRDDRF-MJGOQNOKSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCC[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001479905022 1392471833 /nfs/dbraw/zinc/47/18/33/1392471833.db2.gz MTUMOVMYXRDDRF-MJGOQNOKSA-N 2 1 343.515 3.121 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001480265968 1392650148 /nfs/dbraw/zinc/65/01/48/1392650148.db2.gz TUTBQUNNFBGRCR-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001480265968 1392650149 /nfs/dbraw/zinc/65/01/49/1392650149.db2.gz TUTBQUNNFBGRCR-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001480265968 1392650154 /nfs/dbraw/zinc/65/01/54/1392650154.db2.gz TUTBQUNNFBGRCR-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCC1)C1CCC1 ZINC001480320072 1392679935 /nfs/dbraw/zinc/67/99/35/1392679935.db2.gz UOHYKLUSTAIAAU-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCC1)C1CCC1 ZINC001480320072 1392679945 /nfs/dbraw/zinc/67/99/45/1392679945.db2.gz UOHYKLUSTAIAAU-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCC1)C1CCC1 ZINC001480320072 1392679946 /nfs/dbraw/zinc/67/99/46/1392679946.db2.gz UOHYKLUSTAIAAU-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH+](CC2CC2)C1 ZINC001480382662 1392725546 /nfs/dbraw/zinc/72/55/46/1392725546.db2.gz MIAPHVWKTGRRRQ-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001480382662 1392725549 /nfs/dbraw/zinc/72/55/49/1392725549.db2.gz MIAPHVWKTGRRRQ-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001480382662 1392725552 /nfs/dbraw/zinc/72/55/52/1392725552.db2.gz MIAPHVWKTGRRRQ-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH+](CC2CC2)C1 ZINC001480382660 1392726149 /nfs/dbraw/zinc/72/61/49/1392726149.db2.gz MIAPHVWKTGRRRQ-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001480382660 1392726157 /nfs/dbraw/zinc/72/61/57/1392726157.db2.gz MIAPHVWKTGRRRQ-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001480382660 1392726160 /nfs/dbraw/zinc/72/61/60/1392726160.db2.gz MIAPHVWKTGRRRQ-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1cccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC001480794049 1392937525 /nfs/dbraw/zinc/93/75/25/1392937525.db2.gz VARBYONTRKPREB-AZUAARDMSA-N 2 1 345.531 3.242 20 0 EGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001480849347 1392981347 /nfs/dbraw/zinc/98/13/47/1392981347.db2.gz WPLLEVPKVCXTQZ-QFBILLFUSA-N 2 1 345.531 3.187 20 0 EGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001480849347 1392981349 /nfs/dbraw/zinc/98/13/49/1392981349.db2.gz WPLLEVPKVCXTQZ-QFBILLFUSA-N 2 1 345.531 3.187 20 0 EGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001480849347 1392981352 /nfs/dbraw/zinc/98/13/52/1392981352.db2.gz WPLLEVPKVCXTQZ-QFBILLFUSA-N 2 1 345.531 3.187 20 0 EGADMP CC[N@H+](CC/C=C\c1ccccc1)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001480982753 1393066148 /nfs/dbraw/zinc/06/61/48/1393066148.db2.gz GHXFYTRBALAXSV-SJAUKRLSSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](CC/C=C\c1ccccc1)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001480982753 1393066149 /nfs/dbraw/zinc/06/61/49/1393066149.db2.gz GHXFYTRBALAXSV-SJAUKRLSSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](CC/C=C\c1ccccc1)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001480982753 1393066155 /nfs/dbraw/zinc/06/61/55/1393066155.db2.gz GHXFYTRBALAXSV-SJAUKRLSSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC1CCCCC1)C1CC1 ZINC001481177378 1393142657 /nfs/dbraw/zinc/14/26/57/1393142657.db2.gz DFQPWJKMKYGYGL-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC1CCCCC1)C1CC1 ZINC001481177378 1393142658 /nfs/dbraw/zinc/14/26/58/1393142658.db2.gz DFQPWJKMKYGYGL-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC1CCCCC1)C1CC1 ZINC001481177378 1393142659 /nfs/dbraw/zinc/14/26/59/1393142659.db2.gz DFQPWJKMKYGYGL-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001481192573 1393146724 /nfs/dbraw/zinc/14/67/24/1393146724.db2.gz WYEIYMBTJRBKPX-GOSISDBHSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001481692565 1394453417 /nfs/dbraw/zinc/45/34/17/1394453417.db2.gz VBICVFYGCUXIPS-XLIONFOSSA-N 2 1 345.531 3.403 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481708195 1394466144 /nfs/dbraw/zinc/46/61/44/1394466144.db2.gz MJUSMOBXOAERKL-WOJBJXKFSA-N 2 1 345.531 3.306 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481708195 1394466147 /nfs/dbraw/zinc/46/61/47/1394466147.db2.gz MJUSMOBXOAERKL-WOJBJXKFSA-N 2 1 345.531 3.306 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001481708195 1394466149 /nfs/dbraw/zinc/46/61/49/1394466149.db2.gz MJUSMOBXOAERKL-WOJBJXKFSA-N 2 1 345.531 3.306 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001481708195 1394466152 /nfs/dbraw/zinc/46/61/52/1394466152.db2.gz MJUSMOBXOAERKL-WOJBJXKFSA-N 2 1 345.531 3.306 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2 ZINC001482071170 1394734393 /nfs/dbraw/zinc/73/43/93/1394734393.db2.gz BGVURQHGKGUXIN-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001482497135 1395048780 /nfs/dbraw/zinc/04/87/80/1395048780.db2.gz BSDQPSLIJIYBLN-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1CC1CCCCC1 ZINC001484987611 1395631421 /nfs/dbraw/zinc/63/14/21/1395631421.db2.gz DCNZXQDQUOWHHL-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001698997315 1406797267 /nfs/dbraw/zinc/79/72/67/1406797267.db2.gz NJIDKWHTPVLNFZ-HXUWFJFHSA-N 2 1 345.531 3.260 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001493035360 1396333427 /nfs/dbraw/zinc/33/34/27/1396333427.db2.gz MTRMOMJIOLIYKZ-UHFFFAOYSA-N 2 1 339.568 3.371 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001494857651 1396499910 /nfs/dbraw/zinc/49/99/10/1396499910.db2.gz UQGRXJBGDSRGKE-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001494857651 1396499912 /nfs/dbraw/zinc/49/99/12/1396499912.db2.gz UQGRXJBGDSRGKE-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001494857651 1396499913 /nfs/dbraw/zinc/49/99/13/1396499913.db2.gz UQGRXJBGDSRGKE-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCCC1 ZINC001495949459 1396575520 /nfs/dbraw/zinc/57/55/20/1396575520.db2.gz OHMMVCMPIKGLKS-BPLPYTOXSA-N 2 1 341.927 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCC1 ZINC001495963393 1396579563 /nfs/dbraw/zinc/57/95/63/1396579563.db2.gz IPFWEZGEPZLCDU-LJQANCHMSA-N 2 1 349.563 3.460 20 0 EGADMP CC(C)[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001689052707 1396848311 /nfs/dbraw/zinc/84/83/11/1396848311.db2.gz PTAHYPIUTCDERN-DLBZAZTESA-N 2 1 334.508 3.022 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001690392514 1404533935 /nfs/dbraw/zinc/53/39/35/1404533935.db2.gz ZOSSZHUECRYURN-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001690392514 1404533937 /nfs/dbraw/zinc/53/39/37/1404533937.db2.gz ZOSSZHUECRYURN-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001690392514 1404533941 /nfs/dbraw/zinc/53/39/41/1404533941.db2.gz ZOSSZHUECRYURN-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)(C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCC1)[NH+]1CCCCC1 ZINC001690446140 1404569656 /nfs/dbraw/zinc/56/96/56/1404569656.db2.gz LJTYGTDZRDCFFV-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CCC1CCCCCC1 ZINC001690941560 1404848180 /nfs/dbraw/zinc/84/81/80/1404848180.db2.gz HWEMIJPKFLTBMH-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)CCC1CCCCCC1 ZINC001690941560 1404848187 /nfs/dbraw/zinc/84/81/87/1404848187.db2.gz HWEMIJPKFLTBMH-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CCC1CCCCCC1 ZINC001690941560 1404848189 /nfs/dbraw/zinc/84/81/89/1404848189.db2.gz HWEMIJPKFLTBMH-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001690947321 1404855231 /nfs/dbraw/zinc/85/52/31/1404855231.db2.gz KYCZXTLXLFXTPV-PXNSSMCTSA-N 2 1 343.515 3.203 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001690947321 1404855235 /nfs/dbraw/zinc/85/52/35/1404855235.db2.gz KYCZXTLXLFXTPV-PXNSSMCTSA-N 2 1 343.515 3.203 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001690947321 1404855239 /nfs/dbraw/zinc/85/52/39/1404855239.db2.gz KYCZXTLXLFXTPV-PXNSSMCTSA-N 2 1 343.515 3.203 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[N@H+](C)CC[C@@H]1CCC[C@H](C)C1 ZINC001690980496 1404891960 /nfs/dbraw/zinc/89/19/60/1404891960.db2.gz JQIXVHDURKPKPG-ROUUACIJSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[N@@H+](C)CC[C@@H]1CCC[C@H](C)C1 ZINC001690980496 1404891963 /nfs/dbraw/zinc/89/19/63/1404891963.db2.gz JQIXVHDURKPKPG-ROUUACIJSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001691147344 1405079981 /nfs/dbraw/zinc/07/99/81/1405079981.db2.gz UTRIXINEPGOWCP-MKXGPGLRSA-N 2 1 337.552 3.026 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)CC1CC(C)C1 ZINC001691194526 1405134616 /nfs/dbraw/zinc/13/46/16/1405134616.db2.gz YOOPBUAWYHORON-ACBHZAAOSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CC1CC(C)C1 ZINC001691194526 1405134618 /nfs/dbraw/zinc/13/46/18/1405134618.db2.gz YOOPBUAWYHORON-ACBHZAAOSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)CC1CC(C)C1 ZINC001691194526 1405134623 /nfs/dbraw/zinc/13/46/23/1405134623.db2.gz YOOPBUAWYHORON-ACBHZAAOSA-N 2 1 337.552 3.124 20 0 EGADMP O=C(NCC[N@@H+](CC1CCCCCC1)C1CC1)C12CCC[NH+]1CCC2 ZINC001691215424 1405155421 /nfs/dbraw/zinc/15/54/21/1405155421.db2.gz QNCOOTFHCZBIHC-UHFFFAOYSA-N 2 1 347.547 3.166 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001691686190 1405421159 /nfs/dbraw/zinc/42/11/59/1405421159.db2.gz HGVRKLLVNSHLQG-MSOLQXFVSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001691686192 1405421171 /nfs/dbraw/zinc/42/11/71/1405421171.db2.gz HGVRKLLVNSHLQG-ROUUACIJSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001691836951 1405549319 /nfs/dbraw/zinc/54/93/19/1405549319.db2.gz KAMYALPAODIBKB-BGYRXZFFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001691836951 1405549323 /nfs/dbraw/zinc/54/93/23/1405549323.db2.gz KAMYALPAODIBKB-BGYRXZFFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1 ZINC001691836951 1405549326 /nfs/dbraw/zinc/54/93/26/1405549326.db2.gz KAMYALPAODIBKB-BGYRXZFFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH+](C)Cc2ccc(C)cc2)CC1 ZINC001692026370 1405744336 /nfs/dbraw/zinc/74/43/36/1405744336.db2.gz IZBICXCEQPXOCN-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC(C[N@H+](C)Cc2ccc(C)cc2)CC1 ZINC001692026370 1405744340 /nfs/dbraw/zinc/74/43/40/1405744340.db2.gz IZBICXCEQPXOCN-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC(C[N@@H+](C)Cc2ccc(C)cc2)CC1 ZINC001692026370 1405744341 /nfs/dbraw/zinc/74/43/41/1405744341.db2.gz IZBICXCEQPXOCN-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP C[N@@H+](CCCC1CCCC1)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001732082581 1428338841 /nfs/dbraw/zinc/33/88/41/1428338841.db2.gz QMSFNBFIECZHNW-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001732186102 1428434953 /nfs/dbraw/zinc/43/49/53/1428434953.db2.gz JHMWICFOYJTODO-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1)c1ccccc1 ZINC001732313839 1428525866 /nfs/dbraw/zinc/52/58/66/1428525866.db2.gz ZXTVRRPMOGLQTK-UFYCRDLUSA-N 2 1 343.515 3.106 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001732359595 1428547681 /nfs/dbraw/zinc/54/76/81/1428547681.db2.gz CPKQZYFUHOAKPV-FUHWJXTLSA-N 2 1 347.547 3.376 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCC1([NH2+]CCC2CCCC2)CC1)c1ccccc1 ZINC001699675256 1413068497 /nfs/dbraw/zinc/06/84/97/1413068497.db2.gz FJGOPSZINSYPDE-IBGZPJMESA-N 2 1 343.515 3.108 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CCC2CCCCCC2)C1 ZINC001699826456 1413253384 /nfs/dbraw/zinc/25/33/84/1413253384.db2.gz LYCOOARKQNKFGC-FQEVSTJZSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CCC2CCCCCC2)C1 ZINC001699826456 1413253388 /nfs/dbraw/zinc/25/33/88/1413253388.db2.gz LYCOOARKQNKFGC-FQEVSTJZSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](CCC2CCCCCC2)C1 ZINC001699826456 1413253393 /nfs/dbraw/zinc/25/33/93/1413253393.db2.gz LYCOOARKQNKFGC-FQEVSTJZSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CCC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001732550631 1428732125 /nfs/dbraw/zinc/73/21/25/1428732125.db2.gz XYFUZNXZIOLFRL-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1CCC[NH+](CCC2CC2)CC1)C1CCCCC1 ZINC001700177730 1413587210 /nfs/dbraw/zinc/58/72/10/1413587210.db2.gz RYQGCSRPXLYYKK-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1CCC[N@H+](CCC2CC2)CC1)C1CCCCC1 ZINC001700177730 1413587217 /nfs/dbraw/zinc/58/72/17/1413587217.db2.gz RYQGCSRPXLYYKK-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)CC1)C1CCCCC1 ZINC001700177730 1413587221 /nfs/dbraw/zinc/58/72/21/1413587221.db2.gz RYQGCSRPXLYYKK-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001700184054 1413601518 /nfs/dbraw/zinc/60/15/18/1413601518.db2.gz IPXGPZMYTNUCSJ-VANUVFSVSA-N 2 1 337.552 3.290 20 0 EGADMP CCC(CC)C[N@@H+](C)CCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001732587744 1428803722 /nfs/dbraw/zinc/80/37/22/1428803722.db2.gz ZOCBRSVIQZJICL-UHFFFAOYSA-N 2 1 330.476 3.083 20 0 EGADMP C[C@H](C[N@@H+](C)CCC1CCCCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001733046513 1429179267 /nfs/dbraw/zinc/17/92/67/1429179267.db2.gz YQBVRFIFWXCJOL-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1CCC[C@H](CC[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+](C)C)C1 ZINC001713142669 1417724415 /nfs/dbraw/zinc/72/44/15/1417724415.db2.gz CWPPGBAPJHPZEI-WTGUMLROSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001733065087 1429218162 /nfs/dbraw/zinc/21/81/62/1429218162.db2.gz FRGXDZQAPNRPQO-DLBZAZTESA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)Cc1ccc(F)cc1 ZINC001713493357 1418195852 /nfs/dbraw/zinc/19/58/52/1418195852.db2.gz HPTMTFIWZHHFEG-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)Cc1ccc(F)cc1 ZINC001713493357 1418195856 /nfs/dbraw/zinc/19/58/56/1418195856.db2.gz HPTMTFIWZHHFEG-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)Cc1ccc(F)cc1 ZINC001713493357 1418195857 /nfs/dbraw/zinc/19/58/57/1418195857.db2.gz HPTMTFIWZHHFEG-IBGZPJMESA-N 2 1 349.494 3.027 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001713557688 1418351003 /nfs/dbraw/zinc/35/10/03/1418351003.db2.gz NUNUFTSMBSTYAV-IBGZPJMESA-N 2 1 343.515 3.203 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](CC)c1ccccc1 ZINC001713598528 1418388596 /nfs/dbraw/zinc/38/85/96/1418388596.db2.gz UJBCYJDGUBRGKH-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713838121 1418635311 /nfs/dbraw/zinc/63/53/11/1418635311.db2.gz ZOBPXKCIPKLGMB-PXNSSMCTSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001713838121 1418635314 /nfs/dbraw/zinc/63/53/14/1418635314.db2.gz ZOBPXKCIPKLGMB-PXNSSMCTSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001714149807 1418955558 /nfs/dbraw/zinc/95/55/58/1418955558.db2.gz FUFDNFJMGCXZRQ-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](NC(=O)C[NH+](C)C1CCC1)[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001714149807 1418955563 /nfs/dbraw/zinc/95/55/63/1418955563.db2.gz FUFDNFJMGCXZRQ-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](NC(=O)C[NH+](C)C1CCC1)[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001714149807 1418955565 /nfs/dbraw/zinc/95/55/65/1418955565.db2.gz FUFDNFJMGCXZRQ-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001714304712 1419084639 /nfs/dbraw/zinc/08/46/39/1419084639.db2.gz HWOJECRLHNPEBD-CVEARBPZSA-N 2 1 342.487 3.170 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001714556513 1419284213 /nfs/dbraw/zinc/28/42/13/1419284213.db2.gz QJPTWPIKDSIWLX-QUCCMNQESA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001714556513 1419284217 /nfs/dbraw/zinc/28/42/17/1419284217.db2.gz QJPTWPIKDSIWLX-QUCCMNQESA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001714556513 1419284219 /nfs/dbraw/zinc/28/42/19/1419284219.db2.gz QJPTWPIKDSIWLX-QUCCMNQESA-N 2 1 345.531 3.226 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001714572051 1419305146 /nfs/dbraw/zinc/30/51/46/1419305146.db2.gz IAQYZFCETAPIQO-QGZVFWFLSA-N 2 1 339.483 3.171 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1c(C)cccc1C ZINC001714621938 1419389436 /nfs/dbraw/zinc/38/94/36/1419389436.db2.gz ZNRKGOZKACLLLT-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1c(C)cccc1C ZINC001714621938 1419389438 /nfs/dbraw/zinc/38/94/38/1419389438.db2.gz ZNRKGOZKACLLLT-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1c(C)cccc1C ZINC001714621938 1419389442 /nfs/dbraw/zinc/38/94/42/1419389442.db2.gz ZNRKGOZKACLLLT-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1C ZINC001714772909 1419501605 /nfs/dbraw/zinc/50/16/05/1419501605.db2.gz WGVZRKJQAAYEBS-KRWDZBQOSA-N 2 1 342.487 3.089 20 0 EGADMP CC(C)C[N@@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001714913385 1419661687 /nfs/dbraw/zinc/66/16/87/1419661687.db2.gz MTQINNMMBWUYLM-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1cc(C)cc(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001714929188 1419681720 /nfs/dbraw/zinc/68/17/20/1419681720.db2.gz WKQMDOYWIXHXNU-VQTJNVASSA-N 2 1 345.531 3.018 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001715023866 1419755450 /nfs/dbraw/zinc/75/54/50/1419755450.db2.gz GUQCZHMBBSQEFU-OALUTQOASA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001715023866 1419755454 /nfs/dbraw/zinc/75/54/54/1419755454.db2.gz GUQCZHMBBSQEFU-OALUTQOASA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001715023866 1419755455 /nfs/dbraw/zinc/75/54/55/1419755455.db2.gz GUQCZHMBBSQEFU-OALUTQOASA-N 2 1 349.494 3.151 20 0 EGADMP CCN(C(=O)CC[NH+](C)C1CCCCC1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001715040247 1419778450 /nfs/dbraw/zinc/77/84/50/1419778450.db2.gz MOLHIXJIUPUSOO-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)CC[N@H+](C)C1CCCCC1)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001715040247 1419778452 /nfs/dbraw/zinc/77/84/52/1419778452.db2.gz MOLHIXJIUPUSOO-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001715040247 1419778453 /nfs/dbraw/zinc/77/84/53/1419778453.db2.gz MOLHIXJIUPUSOO-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001715394611 1420092623 /nfs/dbraw/zinc/09/26/23/1420092623.db2.gz ZMNGVNSGQJFNEK-VQIMIIECSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)CCN(C)C(=O)C[NH+]2CCC(C)CC2)c1 ZINC001715976230 1420436251 /nfs/dbraw/zinc/43/62/51/1420436251.db2.gz FARQYHCMICOITD-LJQANCHMSA-N 2 1 345.531 3.178 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@@H](C)c1ccccc1 ZINC001716220394 1420570477 /nfs/dbraw/zinc/57/04/77/1420570477.db2.gz PKLYEUQKVOANOK-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C[C@@H]1C ZINC001716767279 1420912480 /nfs/dbraw/zinc/91/24/80/1420912480.db2.gz JUCWBDFLTUHMQG-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001716850727 1420981387 /nfs/dbraw/zinc/98/13/87/1420981387.db2.gz QFJGWWAPYMEHBI-FQEVSTJZSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001716850727 1420981389 /nfs/dbraw/zinc/98/13/89/1420981389.db2.gz QFJGWWAPYMEHBI-FQEVSTJZSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001716850727 1420981392 /nfs/dbraw/zinc/98/13/92/1420981392.db2.gz QFJGWWAPYMEHBI-FQEVSTJZSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001716895295 1421021897 /nfs/dbraw/zinc/02/18/97/1421021897.db2.gz HHNIAQXTYMUHMF-AZUAARDMSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001716895295 1421021898 /nfs/dbraw/zinc/02/18/98/1421021898.db2.gz HHNIAQXTYMUHMF-AZUAARDMSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001716895295 1421021902 /nfs/dbraw/zinc/02/19/02/1421021902.db2.gz HHNIAQXTYMUHMF-AZUAARDMSA-N 2 1 337.552 3.125 20 0 EGADMP CC1CC(C[N@H+]2CCC[C@@](C)(CNC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001716902305 1421034962 /nfs/dbraw/zinc/03/49/62/1421034962.db2.gz BPIVQSBZSDKBBB-GRERDSQWSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001717123816 1421126394 /nfs/dbraw/zinc/12/63/94/1421126394.db2.gz XUDRVZMWBHRZTC-GUDVDZBRSA-N 2 1 337.552 3.170 20 0 EGADMP CC[C@@H](C(=O)N(C)CCC[N@@H+](C)[C@H](C)c1ccccc1C)[NH+](C)C ZINC001717214323 1421190824 /nfs/dbraw/zinc/19/08/24/1421190824.db2.gz QZIIMZWARGCAFY-MJGOQNOKSA-N 2 1 333.520 3.177 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NC[C@H]1CCCCC[N@H+]1CCC1CC1 ZINC001717542554 1421483078 /nfs/dbraw/zinc/48/30/78/1421483078.db2.gz GZJWEBRCOCWBTA-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)[C@@H]1C ZINC001717859988 1421672853 /nfs/dbraw/zinc/67/28/53/1421672853.db2.gz HGRYWVBISKFIPO-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)[C@@H]1C ZINC001717859988 1421672856 /nfs/dbraw/zinc/67/28/56/1421672856.db2.gz HGRYWVBISKFIPO-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)[C@@H]1C ZINC001717859988 1421672858 /nfs/dbraw/zinc/67/28/58/1421672858.db2.gz HGRYWVBISKFIPO-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+][C@H](C)c2ccccc2C)C1 ZINC001717998872 1421766007 /nfs/dbraw/zinc/76/60/07/1421766007.db2.gz JUMZFXMQIGKVSF-LMDPOFIKSA-N 2 1 345.531 3.367 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001733413093 1429615914 /nfs/dbraw/zinc/61/59/14/1429615914.db2.gz UQMQGZMPKLIBMS-NRFANRHFSA-N 2 1 345.531 3.232 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001723571820 1424470430 /nfs/dbraw/zinc/47/04/30/1424470430.db2.gz SVMJZGLYZGXZAF-QZTJIDSGSA-N 2 1 337.552 3.170 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@]2(C)CC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001724179833 1424715823 /nfs/dbraw/zinc/71/58/23/1424715823.db2.gz QINUTKKECTXNHK-OAQYLSRUSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCC2CC2)CC1 ZINC001724293825 1424778455 /nfs/dbraw/zinc/77/84/55/1424778455.db2.gz FPBYNZXCOGKGBT-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H](c1ccccc1F)[N@@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001724850011 1425210888 /nfs/dbraw/zinc/21/08/88/1425210888.db2.gz BZKUWZUMNLUTQQ-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@H](C)C[N@@H+](C)CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001724851805 1425216057 /nfs/dbraw/zinc/21/60/57/1425216057.db2.gz MCUUAHWHFJQRLA-HNNXBMFYSA-N 2 1 330.476 3.083 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH+](C)[C@@H](C)c1ccccc1 ZINC001724853020 1425219612 /nfs/dbraw/zinc/21/96/12/1425219612.db2.gz SMYQGRCPOKFABY-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001724853020 1425219613 /nfs/dbraw/zinc/21/96/13/1425219613.db2.gz SMYQGRCPOKFABY-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001724853020 1425219624 /nfs/dbraw/zinc/21/96/24/1425219624.db2.gz SMYQGRCPOKFABY-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+](CC3CCC3)C2)C1 ZINC001724859507 1425241195 /nfs/dbraw/zinc/24/11/95/1425241195.db2.gz AYCXTHHEJYNDCI-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](CC3CCC3)C2)C1 ZINC001724859507 1425241198 /nfs/dbraw/zinc/24/11/98/1425241198.db2.gz AYCXTHHEJYNDCI-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC001724859507 1425241202 /nfs/dbraw/zinc/24/12/02/1425241202.db2.gz AYCXTHHEJYNDCI-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[N@H+]1Cc2ccc(CNC(=O)C[NH+]3CCC(C)CC3)cc2C1 ZINC001724921857 1425307182 /nfs/dbraw/zinc/30/71/82/1425307182.db2.gz ANROHBXBRDGNKE-UHFFFAOYSA-N 2 1 343.515 3.006 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CCCC(C)(C)C)CC1(C)C ZINC001724968705 1425364602 /nfs/dbraw/zinc/36/46/02/1425364602.db2.gz DSNUESZAEYZZCB-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001725056205 1425492463 /nfs/dbraw/zinc/49/24/63/1425492463.db2.gz RYPRFXRBMXWFFX-RBUKOAKNSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001725056205 1425492465 /nfs/dbraw/zinc/49/24/65/1425492465.db2.gz RYPRFXRBMXWFFX-RBUKOAKNSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001725056205 1425492466 /nfs/dbraw/zinc/49/24/66/1425492466.db2.gz RYPRFXRBMXWFFX-RBUKOAKNSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)[C@@H](C)c1ccccc1F ZINC001725196617 1425751312 /nfs/dbraw/zinc/75/13/12/1425751312.db2.gz RIYQAUQTUQTKTK-SJORKVTESA-N 2 1 349.494 3.199 20 0 EGADMP CCCc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001725588941 1426245337 /nfs/dbraw/zinc/24/53/37/1426245337.db2.gz QZDJQGPHMNOSDL-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001731350538 1427288683 /nfs/dbraw/zinc/28/86/83/1427288683.db2.gz IGLXYNASXGCXOV-MRXNPFEDSA-N 2 1 346.519 3.091 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1C/C=C/c1ccccc1 ZINC001731543949 1427559736 /nfs/dbraw/zinc/55/97/36/1427559736.db2.gz OXDHCMUWGQMVRR-JTPHSUOKSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1 ZINC001731543949 1427559738 /nfs/dbraw/zinc/55/97/38/1427559738.db2.gz OXDHCMUWGQMVRR-JTPHSUOKSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1C/C=C/c1ccccc1 ZINC001731543949 1427559739 /nfs/dbraw/zinc/55/97/39/1427559739.db2.gz OXDHCMUWGQMVRR-JTPHSUOKSA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001731628601 1427679438 /nfs/dbraw/zinc/67/94/38/1427679438.db2.gz LVKXLUXYLGKYQA-SJORKVTESA-N 2 1 341.499 3.337 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[C@H]([N@@H+](C)CC3CCCCCC3)C2)CC1 ZINC001731717361 1427782751 /nfs/dbraw/zinc/78/27/51/1427782751.db2.gz XQYLJJFOGMKMSK-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2ccc(C)c(C)c2)C1 ZINC001731721620 1427791990 /nfs/dbraw/zinc/79/19/90/1427791990.db2.gz WATXGJSBAWNCNP-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001731721620 1427791991 /nfs/dbraw/zinc/79/19/91/1427791991.db2.gz WATXGJSBAWNCNP-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001731721620 1427791996 /nfs/dbraw/zinc/79/19/96/1427791996.db2.gz WATXGJSBAWNCNP-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001733780500 1430042114 /nfs/dbraw/zinc/04/21/14/1430042114.db2.gz GMZDVLPSYDWLPZ-IBGZPJMESA-N 2 1 342.487 3.123 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001733780500 1430042122 /nfs/dbraw/zinc/04/21/22/1430042122.db2.gz GMZDVLPSYDWLPZ-IBGZPJMESA-N 2 1 342.487 3.123 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001733941823 1437758283 /nfs/dbraw/zinc/75/82/83/1437758283.db2.gz RDFHREKKGVCJLV-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccc1 ZINC001734024956 1437813009 /nfs/dbraw/zinc/81/30/09/1437813009.db2.gz DKGPLDCVJGVEMM-IBGZPJMESA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCCC2CCC2)CC1 ZINC001734268768 1437989691 /nfs/dbraw/zinc/98/96/91/1437989691.db2.gz ZYYDKSCAAKMRRY-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCCC2CCC2)CC1 ZINC001734268768 1437989700 /nfs/dbraw/zinc/98/97/00/1437989700.db2.gz ZYYDKSCAAKMRRY-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCCC2CCC2)CC1 ZINC001734268768 1437989706 /nfs/dbraw/zinc/98/97/06/1437989706.db2.gz ZYYDKSCAAKMRRY-FQEVSTJZSA-N 2 1 349.563 3.362 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)CCCNC(=O)C[C@@H]2CC[NH+](C)C2)c1 ZINC001752098484 1440140547 /nfs/dbraw/zinc/14/05/47/1440140547.db2.gz JGQQCQSNJXRNON-OALUTQOASA-N 2 1 345.531 3.144 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+](C)CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001752098484 1440140548 /nfs/dbraw/zinc/14/05/48/1440140548.db2.gz JGQQCQSNJXRNON-OALUTQOASA-N 2 1 345.531 3.144 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+](C)CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001752098484 1440140550 /nfs/dbraw/zinc/14/05/50/1440140550.db2.gz JGQQCQSNJXRNON-OALUTQOASA-N 2 1 345.531 3.144 20 0 EGADMP CC(C)[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001752146253 1440145924 /nfs/dbraw/zinc/14/59/24/1440145924.db2.gz ZIRAGPBKVMPQDC-HKUYNNGSSA-N 2 1 337.552 3.409 20 0 EGADMP CC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C)CCC1=CCCCC1 ZINC001752188655 1440152173 /nfs/dbraw/zinc/15/21/73/1440152173.db2.gz HVLDRJMOXRIQFQ-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP CC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)CCC1=CCCCC1 ZINC001752188655 1440152174 /nfs/dbraw/zinc/15/21/74/1440152174.db2.gz HVLDRJMOXRIQFQ-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001752569129 1440195596 /nfs/dbraw/zinc/19/55/96/1440195596.db2.gz ZERAJSVPMPHIHO-HSALFYBXSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001752569129 1440195597 /nfs/dbraw/zinc/19/55/97/1440195597.db2.gz ZERAJSVPMPHIHO-HSALFYBXSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001752569129 1440195598 /nfs/dbraw/zinc/19/55/98/1440195598.db2.gz ZERAJSVPMPHIHO-HSALFYBXSA-N 2 1 349.563 3.361 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001752740759 1440204520 /nfs/dbraw/zinc/20/45/20/1440204520.db2.gz HRQDWKCHUZDNDR-HDICACEKSA-N 2 1 347.547 3.377 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001752789263 1440213074 /nfs/dbraw/zinc/21/30/74/1440213074.db2.gz BDUKLSNCYWRPEZ-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001752809373 1440216383 /nfs/dbraw/zinc/21/63/83/1440216383.db2.gz DSEVJABYIKKMFC-LJQANCHMSA-N 2 1 337.552 3.127 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001752815786 1440217937 /nfs/dbraw/zinc/21/79/37/1440217937.db2.gz SOEDLHHHJKJKDB-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1F ZINC001752825625 1440223647 /nfs/dbraw/zinc/22/36/47/1440223647.db2.gz XKRIWGAHVNJQMC-GOSISDBHSA-N 2 1 349.494 3.028 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC001752825625 1440223648 /nfs/dbraw/zinc/22/36/48/1440223648.db2.gz XKRIWGAHVNJQMC-GOSISDBHSA-N 2 1 349.494 3.028 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1F ZINC001752825625 1440223649 /nfs/dbraw/zinc/22/36/49/1440223649.db2.gz XKRIWGAHVNJQMC-GOSISDBHSA-N 2 1 349.494 3.028 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001752845809 1440232423 /nfs/dbraw/zinc/23/24/23/1440232423.db2.gz AAMOKTNHHPRCFL-BARAFRTASA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CCCC2CCC2)CC1 ZINC001752848346 1440233003 /nfs/dbraw/zinc/23/30/03/1440233003.db2.gz NUQNSEGELYBNKN-SOAGJPPSSA-N 2 1 349.563 3.457 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CCC([NH2+][C@H](C)c2ccccc2C)CC1 ZINC001752853552 1440234279 /nfs/dbraw/zinc/23/42/79/1440234279.db2.gz NJFGWMRFZABEFB-LMDPOFIKSA-N 2 1 345.531 3.415 20 0 EGADMP CCCC[NH2+]C1CCC(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001752854739 1440234555 /nfs/dbraw/zinc/23/45/55/1440234555.db2.gz UIOMXSCXWZURDV-SOAGJPPSSA-N 2 1 345.531 3.497 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1)C1CCC1 ZINC001752972162 1440255262 /nfs/dbraw/zinc/25/52/62/1440255262.db2.gz UZYWGCCBVRECLS-ZWKOTPCHSA-N 2 1 335.536 3.068 20 0 EGADMP Cc1cc(C)cc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001752983383 1440257509 /nfs/dbraw/zinc/25/75/09/1440257509.db2.gz JJOTWZQWWHRBOA-WOJBJXKFSA-N 2 1 345.531 3.161 20 0 EGADMP C[N@@H+](CCCC1CCCC1)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001752993492 1440260547 /nfs/dbraw/zinc/26/05/47/1440260547.db2.gz HVDSWISUFMQXOV-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001752993492 1440260548 /nfs/dbraw/zinc/26/05/48/1440260548.db2.gz HVDSWISUFMQXOV-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001752993492 1440260549 /nfs/dbraw/zinc/26/05/49/1440260549.db2.gz HVDSWISUFMQXOV-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001752996609 1440262357 /nfs/dbraw/zinc/26/23/57/1440262357.db2.gz HFQCCNQUSTYVKL-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001752996609 1440262358 /nfs/dbraw/zinc/26/23/58/1440262358.db2.gz HFQCCNQUSTYVKL-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001752996609 1440262359 /nfs/dbraw/zinc/26/23/59/1440262359.db2.gz HFQCCNQUSTYVKL-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001752999988 1440264231 /nfs/dbraw/zinc/26/42/31/1440264231.db2.gz LMEUVADMQIVKJA-VQTJNVASSA-N 2 1 343.515 3.178 20 0 EGADMP CC(C)=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001752999988 1440264232 /nfs/dbraw/zinc/26/42/32/1440264232.db2.gz LMEUVADMQIVKJA-VQTJNVASSA-N 2 1 343.515 3.178 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001753007626 1440266126 /nfs/dbraw/zinc/26/61/26/1440266126.db2.gz VYQNKJKQTHVWBR-SJORKVTESA-N 2 1 331.504 3.025 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001753029561 1440272446 /nfs/dbraw/zinc/27/24/46/1440272446.db2.gz FGONOZDWEUXENK-IBGZPJMESA-N 2 1 347.547 3.189 20 0 EGADMP CC/C=C/CC[N@@H+](CC)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001753084373 1440295450 /nfs/dbraw/zinc/29/54/50/1440295450.db2.gz MVNGQSQLIVMXAS-VOTSOKGWSA-N 2 1 328.460 3.051 20 0 EGADMP O=C(CCC[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC001753120034 1440313330 /nfs/dbraw/zinc/31/33/30/1440313330.db2.gz RQUPAOSANBRAPY-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP C[NH+](C)C1(C(=O)NCC[N@@H+](CC2CCC3(CC3)CC2)C2CC2)CCC1 ZINC001753155930 1440330789 /nfs/dbraw/zinc/33/07/89/1440330789.db2.gz LCPKEAIXTUDJHH-UHFFFAOYSA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC/C=C\c1ccccc1 ZINC001753265324 1440344776 /nfs/dbraw/zinc/34/47/76/1440344776.db2.gz BAZODRFZXFFRGC-SJAUKRLSSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC1CCC1 ZINC001753287103 1440349197 /nfs/dbraw/zinc/34/91/97/1440349197.db2.gz OYGNOMVIFDYQAT-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CC1CCC1 ZINC001753287103 1440349198 /nfs/dbraw/zinc/34/91/98/1440349198.db2.gz OYGNOMVIFDYQAT-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)CC1CCC1 ZINC001753287103 1440349199 /nfs/dbraw/zinc/34/91/99/1440349199.db2.gz OYGNOMVIFDYQAT-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2cccc(CC)c2)C1 ZINC001753325740 1440366393 /nfs/dbraw/zinc/36/63/93/1440366393.db2.gz CXOJWWFOZQACBF-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP O=C(CCC[NH+]1CCCC1)NCC[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001753340395 1440375082 /nfs/dbraw/zinc/37/50/82/1440375082.db2.gz ATCAXNAEEIHUDR-FQEVSTJZSA-N 2 1 347.547 3.191 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC[C@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001753341125 1440375595 /nfs/dbraw/zinc/37/55/95/1440375595.db2.gz RCHXZNBVIZHNNP-SJORKVTESA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC[C@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001753341125 1440375596 /nfs/dbraw/zinc/37/55/96/1440375596.db2.gz RCHXZNBVIZHNNP-SJORKVTESA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC[C@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001753341125 1440375597 /nfs/dbraw/zinc/37/55/97/1440375597.db2.gz RCHXZNBVIZHNNP-SJORKVTESA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001753350454 1440377577 /nfs/dbraw/zinc/37/75/77/1440377577.db2.gz JQWHLPCVJMBCAK-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001753365995 1440385166 /nfs/dbraw/zinc/38/51/66/1440385166.db2.gz UKKHTQTWLGHKRB-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001753365995 1440385167 /nfs/dbraw/zinc/38/51/67/1440385167.db2.gz UKKHTQTWLGHKRB-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001753365995 1440385168 /nfs/dbraw/zinc/38/51/68/1440385168.db2.gz UKKHTQTWLGHKRB-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001753445417 1440403524 /nfs/dbraw/zinc/40/35/24/1440403524.db2.gz LLUBHARBADTFQZ-RTBURBONSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001753445417 1440403525 /nfs/dbraw/zinc/40/35/25/1440403525.db2.gz LLUBHARBADTFQZ-RTBURBONSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001753445417 1440403526 /nfs/dbraw/zinc/40/35/26/1440403526.db2.gz LLUBHARBADTFQZ-RTBURBONSA-N 2 1 337.552 3.362 20 0 EGADMP CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)[NH2+]CC1CCCCC1 ZINC001753488726 1440418686 /nfs/dbraw/zinc/41/86/86/1440418686.db2.gz SDVNLUYHNHVSLJ-RBUKOAKNSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CC1CCCCC1)C1CC1 ZINC001753518974 1440428109 /nfs/dbraw/zinc/42/81/09/1440428109.db2.gz UKMPOAWGMZLAGF-PZJWPPBQSA-N 2 1 349.563 3.314 20 0 EGADMP CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001753557141 1440436292 /nfs/dbraw/zinc/43/62/92/1440436292.db2.gz GQQVUTBANHOBNA-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+][C@H](C)c2ccccc2)C1 ZINC001753559776 1440436677 /nfs/dbraw/zinc/43/66/77/1440436677.db2.gz NOWWMSJXGDAXMN-MOPGFXCFSA-N 2 1 345.531 3.308 20 0 EGADMP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001753587671 1440441856 /nfs/dbraw/zinc/44/18/56/1440441856.db2.gz LOBQDVUSCKOGTO-AXYYWKNDSA-N 2 1 335.536 3.233 20 0 EGADMP CC[C@@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001753591224 1440442876 /nfs/dbraw/zinc/44/28/76/1440442876.db2.gz QHXDWBIEZNCSJO-XLIONFOSSA-N 2 1 345.531 3.311 20 0 EGADMP Cc1cc(C)cc(C[NH2+]C[C@H](C)CNC(=O)CC[C@@H]2CCC[N@H+]2C)c1 ZINC001753617921 1440450086 /nfs/dbraw/zinc/45/00/86/1440450086.db2.gz BGPPVFOMPZKWGK-ICSRJNTNSA-N 2 1 345.531 3.020 20 0 EGADMP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCCC1 ZINC001753671125 1440462007 /nfs/dbraw/zinc/46/20/07/1440462007.db2.gz RLXSPUPJYYGVSQ-OOFWQKGWSA-N 2 1 335.536 3.236 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC2=CCCCC2)C1 ZINC001753709135 1440470110 /nfs/dbraw/zinc/47/01/10/1440470110.db2.gz SJXURMONNKVRPG-AZUAARDMSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)[NH2+]C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CCCCC1 ZINC001753749544 1440482166 /nfs/dbraw/zinc/48/21/66/1440482166.db2.gz LZLLEKBJHXQXFS-VQTJNVASSA-N 2 1 345.531 3.352 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC2CCCCC2)C1 ZINC001753801202 1440490900 /nfs/dbraw/zinc/49/09/00/1440490900.db2.gz KRTRLDCOBAFJAB-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP CN(CC[N@@H+](C)CCCC(C)(C)C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001753855428 1440508537 /nfs/dbraw/zinc/50/85/37/1440508537.db2.gz XTQNUDMDLYGVLQ-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CN(CC[NH+](C)CCCC(C)(C)C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001753855428 1440508538 /nfs/dbraw/zinc/50/85/38/1440508538.db2.gz XTQNUDMDLYGVLQ-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CCCC2CCCC2)C1 ZINC001753874733 1440518671 /nfs/dbraw/zinc/51/86/71/1440518671.db2.gz BHTKCKDBDAPQOM-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCC2CCCC2)C1 ZINC001753874733 1440518672 /nfs/dbraw/zinc/51/86/72/1440518672.db2.gz BHTKCKDBDAPQOM-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCCC2CCCC2)C1 ZINC001753874733 1440518673 /nfs/dbraw/zinc/51/86/73/1440518673.db2.gz BHTKCKDBDAPQOM-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC2CCC(C)(C)CC2)C1 ZINC001753875917 1440519424 /nfs/dbraw/zinc/51/94/24/1440519424.db2.gz OOYUPBNXMBPZDY-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001754120361 1440542680 /nfs/dbraw/zinc/54/26/80/1440542680.db2.gz SCAWZIJEYMFHQK-BSCWQEJHSA-N 2 1 347.478 3.022 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001754407952 1440595988 /nfs/dbraw/zinc/59/59/88/1440595988.db2.gz RPUISOULPBAUII-IBGZPJMESA-N 2 1 345.531 3.090 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)[C@@H](CC)C1 ZINC001754466131 1440604361 /nfs/dbraw/zinc/60/43/61/1440604361.db2.gz AZWAMCDAHQADBP-PMACEKPBSA-N 2 1 349.563 3.435 20 0 EGADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001754492428 1440610557 /nfs/dbraw/zinc/61/05/57/1440610557.db2.gz CBNBUNANASYDEC-FUHWJXTLSA-N 2 1 339.483 3.043 20 0 EGADMP C[C@H](C(=O)NC[C@@H]1CC[N@H+]1CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001754496039 1440612149 /nfs/dbraw/zinc/61/21/49/1440612149.db2.gz SFFHXOZPEBEZIO-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CC1 ZINC001754528008 1440621751 /nfs/dbraw/zinc/62/17/51/1440621751.db2.gz YATHKPCUMAYFJI-SFHVURJKSA-N 2 1 335.536 3.068 20 0 EGADMP CC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)CCC ZINC001754545739 1440627398 /nfs/dbraw/zinc/62/73/98/1440627398.db2.gz BDNVIDTXVYZVSL-BQPQQLJHSA-N 2 1 335.536 3.186 20 0 EGADMP CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC001754598185 1440641938 /nfs/dbraw/zinc/64/19/38/1440641938.db2.gz RPHQUYKUYOTKPN-ZWKOTPCHSA-N 2 1 337.552 3.410 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2C)C[C@@H]1C ZINC001754600922 1440642473 /nfs/dbraw/zinc/64/24/73/1440642473.db2.gz JGDAQQAFBYIGDV-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C2)c1 ZINC001754602936 1440642847 /nfs/dbraw/zinc/64/28/47/1440642847.db2.gz FFPIXZQSTXTOEB-FXAWDEMLSA-N 2 1 345.531 3.058 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C[C@@H]1C ZINC001754605018 1440643135 /nfs/dbraw/zinc/64/31/35/1440643135.db2.gz VEECKOYJBSEPKI-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC1(C)CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001754629383 1440647308 /nfs/dbraw/zinc/64/73/08/1440647308.db2.gz AUMHJIUQUKELPB-QGZVFWFLSA-N 2 1 331.504 3.059 20 0 EGADMP CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001754733915 1440681224 /nfs/dbraw/zinc/68/12/24/1440681224.db2.gz QNZVQPRRCQMITB-AZUAARDMSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]([NH2+]CCC1CC1)[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001754796751 1440689681 /nfs/dbraw/zinc/68/96/81/1440689681.db2.gz GDGCQDLVHNGTPT-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001754796646 1440689695 /nfs/dbraw/zinc/68/96/95/1440689695.db2.gz FFLYXLVNWORJDG-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001754871826 1440705272 /nfs/dbraw/zinc/70/52/72/1440705272.db2.gz MTQVWDLHGIYTIQ-RBUKOAKNSA-N 2 1 335.536 3.118 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CC[NH2+]CCC3CCCC3)C2)CC[N@H+]1C ZINC001754915855 1440708670 /nfs/dbraw/zinc/70/86/70/1440708670.db2.gz KFOMISZPSPFOMK-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1 ZINC001754981664 1440721483 /nfs/dbraw/zinc/72/14/83/1440721483.db2.gz BAKNOTZVUDSEHP-LJQANCHMSA-N 2 1 347.547 3.380 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCC1 ZINC001754990875 1440724405 /nfs/dbraw/zinc/72/44/05/1440724405.db2.gz RURGPZCFCCPKTE-SFHVURJKSA-N 2 1 349.563 3.172 20 0 EGADMP CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001755031547 1440731872 /nfs/dbraw/zinc/73/18/72/1440731872.db2.gz UNJDCDUWIMVCOL-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001755031547 1440731873 /nfs/dbraw/zinc/73/18/73/1440731873.db2.gz UNJDCDUWIMVCOL-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001755031547 1440731874 /nfs/dbraw/zinc/73/18/74/1440731874.db2.gz UNJDCDUWIMVCOL-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CCC[NH+](C)CC2CCCC2)C1 ZINC001755042391 1440738182 /nfs/dbraw/zinc/73/81/82/1440738182.db2.gz MIZXIJCVELPIBU-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)CCC[N@H+](C)CC2CCCC2)C1 ZINC001755042391 1440738183 /nfs/dbraw/zinc/73/81/83/1440738183.db2.gz MIZXIJCVELPIBU-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)CCC[N@@H+](C)CC2CCCC2)C1 ZINC001755042391 1440738184 /nfs/dbraw/zinc/73/81/84/1440738184.db2.gz MIZXIJCVELPIBU-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CN(CCC[N@@H+](C)CCC1CCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001755045727 1440740684 /nfs/dbraw/zinc/74/06/84/1440740684.db2.gz GMDXRRHDKYNORO-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CCC[NH+](C)CCC1CCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001755045727 1440740685 /nfs/dbraw/zinc/74/06/85/1440740685.db2.gz GMDXRRHDKYNORO-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CCC[NH+](C)CCC1CCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001755045727 1440740686 /nfs/dbraw/zinc/74/06/86/1440740686.db2.gz GMDXRRHDKYNORO-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CCC[N@@H+](C)CCC1CCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001755045724 1440740754 /nfs/dbraw/zinc/74/07/54/1440740754.db2.gz GMDXRRHDKYNORO-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CCC[NH+](C)CCC1CCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001755045724 1440740755 /nfs/dbraw/zinc/74/07/55/1440740755.db2.gz GMDXRRHDKYNORO-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CCC[NH+](C)CCC1CCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001755045724 1440740756 /nfs/dbraw/zinc/74/07/56/1440740756.db2.gz GMDXRRHDKYNORO-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C=C/C(C)=C/CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](C(C)C)CC1 ZINC001755047409 1440741927 /nfs/dbraw/zinc/74/19/27/1440741927.db2.gz NDIKCZMDMPEFOY-JEQMCHBPSA-N 2 1 345.531 3.057 20 0 EGADMP C=C/C(C)=C/CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](C(C)C)CC1 ZINC001755047409 1440741928 /nfs/dbraw/zinc/74/19/28/1440741928.db2.gz NDIKCZMDMPEFOY-JEQMCHBPSA-N 2 1 345.531 3.057 20 0 EGADMP Cc1cccc(C[N@H+](C)CCCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC001755048136 1440742487 /nfs/dbraw/zinc/74/24/87/1440742487.db2.gz WGPCNUJQQBJBFF-RTBURBONSA-N 2 1 345.531 3.148 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001755079447 1440750286 /nfs/dbraw/zinc/75/02/86/1440750286.db2.gz KKCVSOJPLGCDHC-IRFCIJBXSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001755079447 1440750287 /nfs/dbraw/zinc/75/02/87/1440750287.db2.gz KKCVSOJPLGCDHC-IRFCIJBXSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001755079447 1440750288 /nfs/dbraw/zinc/75/02/88/1440750288.db2.gz KKCVSOJPLGCDHC-IRFCIJBXSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001755128294 1440756568 /nfs/dbraw/zinc/75/65/68/1440756568.db2.gz ZWLPACCYFZMNKD-SFHVURJKSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C)cs1 ZINC001755162668 1440765431 /nfs/dbraw/zinc/76/54/31/1440765431.db2.gz YBMKYJRRHKPPKT-WMLDXEAASA-N 2 1 349.544 3.010 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)[C@H](C)C1 ZINC001755166731 1440767461 /nfs/dbraw/zinc/76/74/61/1440767461.db2.gz FPXJIYWDGLGTTQ-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)[C@H](C)C1 ZINC001755166731 1440767462 /nfs/dbraw/zinc/76/74/62/1440767462.db2.gz FPXJIYWDGLGTTQ-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)[C@H](C)C1 ZINC001755166731 1440767463 /nfs/dbraw/zinc/76/74/63/1440767463.db2.gz FPXJIYWDGLGTTQ-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001755204039 1440781598 /nfs/dbraw/zinc/78/15/98/1440781598.db2.gz FXOLHKDAAIADMD-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001755204039 1440781599 /nfs/dbraw/zinc/78/15/99/1440781599.db2.gz FXOLHKDAAIADMD-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001755204039 1440781600 /nfs/dbraw/zinc/78/16/00/1440781600.db2.gz FXOLHKDAAIADMD-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001755281914 1440800777 /nfs/dbraw/zinc/80/07/77/1440800777.db2.gz ZGNSOQIMIAEPRB-UHFFFAOYSA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1CCC1 ZINC001755286262 1440802165 /nfs/dbraw/zinc/80/21/65/1440802165.db2.gz SJEFSDRMHAFCJS-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CCCC(C)(C)C)CC2 ZINC001755312896 1440814102 /nfs/dbraw/zinc/81/41/02/1440814102.db2.gz JJRYZTGMSMQPGR-WBVHZDCISA-N 2 1 348.535 3.017 20 0 EGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CCCC(C)(C)C)CC2 ZINC001755312896 1440814103 /nfs/dbraw/zinc/81/41/03/1440814103.db2.gz JJRYZTGMSMQPGR-WBVHZDCISA-N 2 1 348.535 3.017 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)[NH+](C)CC1CCCC1 ZINC001755312929 1440814315 /nfs/dbraw/zinc/81/43/15/1440814315.db2.gz JUXNLCTZTMRBTE-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)[N@H+](C)CC1CCCC1 ZINC001755312929 1440814316 /nfs/dbraw/zinc/81/43/16/1440814316.db2.gz JUXNLCTZTMRBTE-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)[N@@H+](C)CC1CCCC1 ZINC001755312929 1440814317 /nfs/dbraw/zinc/81/43/17/1440814317.db2.gz JUXNLCTZTMRBTE-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCC2=CCCCC2)CC1 ZINC001755321845 1440818836 /nfs/dbraw/zinc/81/88/36/1440818836.db2.gz VFSJGNHLKKNFLA-GOSISDBHSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001755323974 1440820411 /nfs/dbraw/zinc/82/04/11/1440820411.db2.gz YKPWIRXTVNCEIP-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001755323974 1440820412 /nfs/dbraw/zinc/82/04/12/1440820412.db2.gz YKPWIRXTVNCEIP-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001755323974 1440820413 /nfs/dbraw/zinc/82/04/13/1440820413.db2.gz YKPWIRXTVNCEIP-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP Cn1cncc1CC(=O)NC[C@H]1CCCCC[N@H+]1CCCC(C)(C)C ZINC001755368878 1440836504 /nfs/dbraw/zinc/83/65/04/1440836504.db2.gz XGGRNUOPJFLAIG-QGZVFWFLSA-N 2 1 348.535 3.150 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC001755411310 1440846633 /nfs/dbraw/zinc/84/66/33/1440846633.db2.gz BNDLRZIHNVCJKI-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC001755411310 1440846634 /nfs/dbraw/zinc/84/66/34/1440846634.db2.gz BNDLRZIHNVCJKI-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC001755411310 1440846635 /nfs/dbraw/zinc/84/66/35/1440846635.db2.gz BNDLRZIHNVCJKI-RBUKOAKNSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[NH+](CCCC2CCCC2)CC1(C)C ZINC001755416772 1440849464 /nfs/dbraw/zinc/84/94/64/1440849464.db2.gz WJRGUBFEROAVBB-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[N@H+](CCCC2CCCC2)CC1(C)C ZINC001755416772 1440849465 /nfs/dbraw/zinc/84/94/65/1440849465.db2.gz WJRGUBFEROAVBB-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1C[N@@H+](CCCC2CCCC2)CC1(C)C ZINC001755416772 1440849466 /nfs/dbraw/zinc/84/94/66/1440849466.db2.gz WJRGUBFEROAVBB-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001755722251 1440907885 /nfs/dbraw/zinc/90/78/85/1440907885.db2.gz HBNXOSPBRVKWFL-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001755825832 1440927184 /nfs/dbraw/zinc/92/71/84/1440927184.db2.gz XBKOGSOQNGJHDZ-OALUTQOASA-N 2 1 349.563 3.480 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001755889245 1440941113 /nfs/dbraw/zinc/94/11/13/1440941113.db2.gz BNFTUMGDWUWXCA-PLNGDYQASA-N 2 1 345.531 3.110 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000368506621 168365395 /nfs/dbraw/zinc/36/53/95/168365395.db2.gz DTQKXDOPPLIMTM-NJYVYQBISA-N 2 1 339.483 3.476 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000368506621 168365396 /nfs/dbraw/zinc/36/53/96/168365396.db2.gz DTQKXDOPPLIMTM-NJYVYQBISA-N 2 1 339.483 3.476 20 0 EGADMP CN(C)c1cc[nH+]cc1CNC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000221823408 282308203 /nfs/dbraw/zinc/30/82/03/282308203.db2.gz MEZWMNWDJYIFIK-KXBFYZLASA-N 2 1 344.528 3.382 20 0 EGADMP Cc1ccc(CCC[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000181648481 234268075 /nfs/dbraw/zinc/26/80/75/234268075.db2.gz XKCRUGWWXNHRDR-OYRHEFFESA-N 2 1 343.559 3.418 20 0 EGADMP C[C@H]1C[C@@H](N(C)C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000261729128 291059888 /nfs/dbraw/zinc/05/98/88/291059888.db2.gz KSZXDHYDUGUBLQ-FRYIKTPZSA-N 2 1 343.515 3.015 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000037408284 213144934 /nfs/dbraw/zinc/14/49/34/213144934.db2.gz NPJXCJUXUXMRHA-ZDUSSCGKSA-N 2 1 339.277 3.032 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000193937199 240368421 /nfs/dbraw/zinc/36/84/21/240368421.db2.gz UBVMWUGKFLKCIV-VAMGGRTRSA-N 2 1 326.484 3.198 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](CN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749779 549326009 /nfs/dbraw/zinc/32/60/09/549326009.db2.gz SOEZKMMMSSVRTQ-VQTJNVASSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@@H](CN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749779 549326013 /nfs/dbraw/zinc/32/60/13/549326013.db2.gz SOEZKMMMSSVRTQ-VQTJNVASSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[NH+]1CC[C@@H](CN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749779 549326015 /nfs/dbraw/zinc/32/60/15/549326015.db2.gz SOEZKMMMSSVRTQ-VQTJNVASSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749779 549326018 /nfs/dbraw/zinc/32/60/18/549326018.db2.gz SOEZKMMMSSVRTQ-VQTJNVASSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749779 549326020 /nfs/dbraw/zinc/32/60/20/549326020.db2.gz SOEZKMMMSSVRTQ-VQTJNVASSA-N 2 1 329.532 3.359 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)cn1 ZINC000193984493 240388951 /nfs/dbraw/zinc/38/89/51/240388951.db2.gz WDIJUXAZFQWXIM-NZSAHSFTSA-N 2 1 338.455 3.013 20 0 EGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000183336394 283846633 /nfs/dbraw/zinc/84/66/33/283846633.db2.gz NVAMGWOGEUXAAG-INIZCTEOSA-N 2 1 348.487 3.009 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@@H](C)C1 ZINC000246819658 243322938 /nfs/dbraw/zinc/32/29/38/243322938.db2.gz BCFAEWLIFNFRQN-KXBFYZLASA-N 2 1 329.488 3.245 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@@H](C)C1 ZINC000246819658 243322943 /nfs/dbraw/zinc/32/29/43/243322943.db2.gz BCFAEWLIFNFRQN-KXBFYZLASA-N 2 1 329.488 3.245 20 0 EGADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000184508664 296126541 /nfs/dbraw/zinc/12/65/41/296126541.db2.gz FUXIVVSEGBSTAX-JKSUJKDBSA-N 2 1 338.517 3.005 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[NH2+][C@@H]1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000342693742 284208425 /nfs/dbraw/zinc/20/84/25/284208425.db2.gz MVNGMTLIGJDDKC-PIKOESSRSA-N 2 1 343.515 3.059 20 0 EGADMP C[NH+](C)CCC1CC[NH+]([C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000111684897 220180858 /nfs/dbraw/zinc/18/08/58/220180858.db2.gz CHESJTCOMAVBDV-SFHVURJKSA-N 2 1 349.906 3.109 20 0 EGADMP CCCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000264043729 246010379 /nfs/dbraw/zinc/01/03/79/246010379.db2.gz QUFSPHKDYPJCAV-IBGZPJMESA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)[N@H+]1CCCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000266458749 248311314 /nfs/dbraw/zinc/31/13/14/248311314.db2.gz PXZKPCCFMBHZGE-UHFFFAOYSA-N 2 1 343.471 3.051 20 0 EGADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000378429896 169118958 /nfs/dbraw/zinc/11/89/58/169118958.db2.gz LPUIAFHVAFOJNZ-VKJFTORMSA-N 2 1 329.444 3.447 20 0 EGADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378337841 169103086 /nfs/dbraw/zinc/10/30/86/169103086.db2.gz BBTLQMKYUOJACB-FXAWDEMLSA-N 2 1 349.950 3.415 20 0 EGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378337841 169103089 /nfs/dbraw/zinc/10/30/89/169103089.db2.gz BBTLQMKYUOJACB-FXAWDEMLSA-N 2 1 349.950 3.415 20 0 EGADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(C)ccc1OC ZINC000091723111 218053320 /nfs/dbraw/zinc/05/33/20/218053320.db2.gz HFZMCXKVXBQAFH-MJGOQNOKSA-N 2 1 334.504 3.281 20 0 EGADMP COc1ccccc1COC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000092422129 218139935 /nfs/dbraw/zinc/13/99/35/218139935.db2.gz GPZDIJPARBXISY-GOSISDBHSA-N 2 1 332.488 3.161 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)s1 ZINC000092746095 218163655 /nfs/dbraw/zinc/16/36/55/218163655.db2.gz GUPPGCVYIRLTQP-OLZOCXBDSA-N 2 1 336.505 3.132 20 0 EGADMP COc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1O ZINC000093336849 218215047 /nfs/dbraw/zinc/21/50/47/218215047.db2.gz LAWIUVHUWKHYJO-LJQANCHMSA-N 2 1 340.467 3.355 20 0 EGADMP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1O ZINC000093336849 218215049 /nfs/dbraw/zinc/21/50/49/218215049.db2.gz LAWIUVHUWKHYJO-LJQANCHMSA-N 2 1 340.467 3.355 20 0 EGADMP COc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1O ZINC000093336849 218215052 /nfs/dbraw/zinc/21/50/52/218215052.db2.gz LAWIUVHUWKHYJO-LJQANCHMSA-N 2 1 340.467 3.355 20 0 EGADMP COc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000093336849 218215055 /nfs/dbraw/zinc/21/50/55/218215055.db2.gz LAWIUVHUWKHYJO-LJQANCHMSA-N 2 1 340.467 3.355 20 0 EGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000268745045 252194761 /nfs/dbraw/zinc/19/47/61/252194761.db2.gz ROOWLZLMQRFIHX-MRXNPFEDSA-N 2 1 338.492 3.103 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000268782933 252232740 /nfs/dbraw/zinc/23/27/40/252232740.db2.gz CSSJNFVSHOALIT-JTQLQIEISA-N 2 1 326.213 3.444 20 0 EGADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000268804808 252257495 /nfs/dbraw/zinc/25/74/95/252257495.db2.gz KJPGWNUJJMEBBB-GFCCVEGCSA-N 2 1 327.457 3.369 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000268824877 252273662 /nfs/dbraw/zinc/27/36/62/252273662.db2.gz QKQHNOXDMWXOIO-JTQLQIEISA-N 2 1 326.213 3.444 20 0 EGADMP C[C@H]([NH2+]Cc1cn2ccsc2n1)c1cccc(OCC[NH+](C)C)c1 ZINC000268830233 252280435 /nfs/dbraw/zinc/28/04/35/252280435.db2.gz WBSCMKWNZLYVEB-AWEZNQCLSA-N 2 1 344.484 3.187 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cncs1 ZINC000153471967 224109159 /nfs/dbraw/zinc/10/91/59/224109159.db2.gz VOZGTKNDRZKUDX-CABCVRRESA-N 2 1 331.485 3.215 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cncs1 ZINC000153471967 224109160 /nfs/dbraw/zinc/10/91/60/224109160.db2.gz VOZGTKNDRZKUDX-CABCVRRESA-N 2 1 331.485 3.215 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cccnc3)CC2)oc1C ZINC000112547323 220347485 /nfs/dbraw/zinc/34/74/85/220347485.db2.gz XJDSCQYBGZNSPC-HNNXBMFYSA-N 2 1 328.460 3.249 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1 ZINC000269196477 255543196 /nfs/dbraw/zinc/54/31/96/255543196.db2.gz VQHHPDPWWLSZJX-LPHOPBHVSA-N 2 1 331.504 3.260 20 0 EGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccn1 ZINC000158606810 533383962 /nfs/dbraw/zinc/38/39/62/533383962.db2.gz AOYLCNKVDJCYOM-WIYYLYMNSA-N 2 1 338.499 3.111 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[NH+]2CC)cc1 ZINC000338040588 141078857 /nfs/dbraw/zinc/07/88/57/141078857.db2.gz BKBKRTKXPBFTIH-LJQANCHMSA-N 2 1 331.504 3.133 20 0 EGADMP C[N@H+]1CCC[C@H]2CN(Cc3cscc3Br)CC[C@H]21 ZINC000347912162 141215576 /nfs/dbraw/zinc/21/55/76/141215576.db2.gz MDQZQYFLUJJLJF-SMDDNHRTSA-N 2 1 329.307 3.427 20 0 EGADMP Cc1nc2ccc(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)cc2n1C ZINC000354605308 141313903 /nfs/dbraw/zinc/31/39/03/141313903.db2.gz QXHPPXRRGNYPND-HNNXBMFYSA-N 2 1 342.487 3.266 20 0 EGADMP Fc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000356840689 141352382 /nfs/dbraw/zinc/35/23/82/141352382.db2.gz FVROREVJONNJSZ-FFZOFVMBSA-N 2 1 325.431 3.221 20 0 EGADMP Fc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000356840689 141352384 /nfs/dbraw/zinc/35/23/84/141352384.db2.gz FVROREVJONNJSZ-FFZOFVMBSA-N 2 1 325.431 3.221 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344624244 144200896 /nfs/dbraw/zinc/20/08/96/144200896.db2.gz IIACVWDDAQDMNZ-LRDDRELGSA-N 2 1 348.441 3.340 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000344624244 144200897 /nfs/dbraw/zinc/20/08/97/144200897.db2.gz IIACVWDDAQDMNZ-LRDDRELGSA-N 2 1 348.441 3.340 20 0 EGADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000344713874 144213710 /nfs/dbraw/zinc/21/37/10/144213710.db2.gz XBXOQSJGWUIUFC-UHFFFAOYSA-N 2 1 334.847 3.180 20 0 EGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403307 144264431 /nfs/dbraw/zinc/26/44/31/144264431.db2.gz CQCRMFWRNYKIOT-SFTDATJTSA-N 2 1 329.532 3.315 20 0 EGADMP CN(CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000351403307 144264433 /nfs/dbraw/zinc/26/44/33/144264433.db2.gz CQCRMFWRNYKIOT-SFTDATJTSA-N 2 1 329.532 3.315 20 0 EGADMP CN(CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000351403307 144264434 /nfs/dbraw/zinc/26/44/34/144264434.db2.gz CQCRMFWRNYKIOT-SFTDATJTSA-N 2 1 329.532 3.315 20 0 EGADMP C[N@@H+](C[C@@H](O)CN1Cc2ccccc2C[C@@H]1c1ccccc1)C1CC1 ZINC000351516318 144273451 /nfs/dbraw/zinc/27/34/51/144273451.db2.gz XKKYSYQJOYLUCJ-FGZHOGPDSA-N 2 1 336.479 3.241 20 0 EGADMP Cc1ccc2c(c1)C[N@H+](C[C@H](O)Cn1cnc3cc(C)c(C)cc31)C2 ZINC000361600307 144334958 /nfs/dbraw/zinc/33/49/58/144334958.db2.gz GKUSQDRWWQAGAF-IBGZPJMESA-N 2 1 335.451 3.338 20 0 EGADMP Cc1ccc2c(c1)CN(C[C@H](O)Cn1cnc3cc(C)c(C)cc31)C2 ZINC000361600307 144334959 /nfs/dbraw/zinc/33/49/59/144334959.db2.gz GKUSQDRWWQAGAF-IBGZPJMESA-N 2 1 335.451 3.338 20 0 EGADMP Clc1cccc(-c2n[nH]cc2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000364019847 144384973 /nfs/dbraw/zinc/38/49/73/144384973.db2.gz CSWZKGLJVHSDNU-IRXDYDNUSA-N 2 1 330.863 3.447 20 0 EGADMP Clc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000364019847 144384975 /nfs/dbraw/zinc/38/49/75/144384975.db2.gz CSWZKGLJVHSDNU-IRXDYDNUSA-N 2 1 330.863 3.447 20 0 EGADMP Clc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000364019847 144384977 /nfs/dbraw/zinc/38/49/77/144384977.db2.gz CSWZKGLJVHSDNU-IRXDYDNUSA-N 2 1 330.863 3.447 20 0 EGADMP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(N2CCOC2=O)c1 ZINC000373525022 144512004 /nfs/dbraw/zinc/51/20/04/144512004.db2.gz WTJZNXTYFOERRF-LSJNQWAISA-N 2 1 343.471 3.311 20 0 EGADMP CO[C@]1(C)CCC[NH+](CCC[N@@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000366491700 286160180 /nfs/dbraw/zinc/16/01/80/286160180.db2.gz SOYMAYJMMITEOS-RTBURBONSA-N 2 1 326.525 3.159 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000261881072 286313713 /nfs/dbraw/zinc/31/37/13/286313713.db2.gz MNRSWLXVQCAYCV-IAGOWNOFSA-N 2 1 334.504 3.489 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@]3(C)CCO[C@@H]3C3CC3)sc2C1 ZINC000341559701 155353442 /nfs/dbraw/zinc/35/34/42/155353442.db2.gz PJSHVMHJBSXRPK-RTBURBONSA-N 2 1 349.544 3.204 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@]3(C)CCO[C@@H]3C3CC3)sc2C1 ZINC000341559701 155353446 /nfs/dbraw/zinc/35/34/46/155353446.db2.gz PJSHVMHJBSXRPK-RTBURBONSA-N 2 1 349.544 3.204 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000262179755 153791854 /nfs/dbraw/zinc/79/18/54/153791854.db2.gz WLOMAUGRQUMSEO-VXGBXAGGSA-N 2 1 345.256 3.026 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC(F)F)cc1 ZINC000303226711 154041137 /nfs/dbraw/zinc/04/11/37/154041137.db2.gz POMCQRJLEOFKIU-HOCLYGCPSA-N 2 1 342.430 3.031 20 0 EGADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000310097551 154139623 /nfs/dbraw/zinc/13/96/23/154139623.db2.gz AGWFLFYAZXMKCP-VQIMIIECSA-N 2 1 325.456 3.090 20 0 EGADMP COc1ccc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1O ZINC000311074349 154147645 /nfs/dbraw/zinc/14/76/45/154147645.db2.gz ZVPOKTMRIACBRB-NRFANRHFSA-N 2 1 340.467 3.403 20 0 EGADMP COc1ccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000311074349 154147649 /nfs/dbraw/zinc/14/76/49/154147649.db2.gz ZVPOKTMRIACBRB-NRFANRHFSA-N 2 1 340.467 3.403 20 0 EGADMP CC(C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccc(F)cc1 ZINC000337339265 154292293 /nfs/dbraw/zinc/29/22/93/154292293.db2.gz RHBUFWJNNDFHQC-UHFFFAOYSA-N 2 1 335.511 3.452 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346814406 156147813 /nfs/dbraw/zinc/14/78/13/156147813.db2.gz BEYKWJXDBUCYMT-JBACZVJFSA-N 2 1 338.499 3.107 20 0 EGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000346838931 156160425 /nfs/dbraw/zinc/16/04/25/156160425.db2.gz XWTXIILRHUTFLM-RCCFBDPRSA-N 2 1 332.488 3.433 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3OCc3ccccn3)C[C@H]21 ZINC000346851324 156164453 /nfs/dbraw/zinc/16/44/53/156164453.db2.gz VZVSKTKQJMWPLF-NSISKUIASA-N 2 1 337.467 3.220 20 0 EGADMP FC(F)Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000368624179 157246603 /nfs/dbraw/zinc/24/66/03/157246603.db2.gz MWCYGVPSVSVAFX-QGZVFWFLSA-N 2 1 348.441 3.150 20 0 EGADMP FC(F)Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000368624179 157246612 /nfs/dbraw/zinc/24/66/12/157246612.db2.gz MWCYGVPSVSVAFX-QGZVFWFLSA-N 2 1 348.441 3.150 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC3(CCCCC3)C2)CC1 ZINC000114458686 162234228 /nfs/dbraw/zinc/23/42/28/162234228.db2.gz DRTSUMWAFKPAFO-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000125035246 162261669 /nfs/dbraw/zinc/26/16/69/162261669.db2.gz YAWDEYIDEMTZNZ-FQEVSTJZSA-N 2 1 329.488 3.491 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000125035246 162261670 /nfs/dbraw/zinc/26/16/70/162261670.db2.gz YAWDEYIDEMTZNZ-FQEVSTJZSA-N 2 1 329.488 3.491 20 0 EGADMP COc1cc(N[C@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)cc(OC)c1 ZINC000129297375 162352249 /nfs/dbraw/zinc/35/22/49/162352249.db2.gz WJDQJWDJBUVHCO-WMZOPIPTSA-N 2 1 347.503 3.064 20 0 EGADMP COc1cc(N[C@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)cc(OC)c1 ZINC000129297375 162352255 /nfs/dbraw/zinc/35/22/55/162352255.db2.gz WJDQJWDJBUVHCO-WMZOPIPTSA-N 2 1 347.503 3.064 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000247180780 162936802 /nfs/dbraw/zinc/93/68/02/162936802.db2.gz VFFITHJCVYABET-ZWKOTPCHSA-N 2 1 341.503 3.430 20 0 EGADMP CC1(C)[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@@H]2CCO[C@H]21 ZINC000248413477 163003042 /nfs/dbraw/zinc/00/30/42/163003042.db2.gz LGWGMPBKMLWYLR-XHCJJCCMSA-N 2 1 340.511 3.300 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(F)c1 ZINC000248432046 163004189 /nfs/dbraw/zinc/00/41/89/163004189.db2.gz CLBBOOIBBSFUEM-MGPUTAFESA-N 2 1 328.431 3.243 20 0 EGADMP CC1(C)[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C[C@@H]1c1ccccc1 ZINC000248656694 163026476 /nfs/dbraw/zinc/02/64/76/163026476.db2.gz WUSCASLFSLCYSL-XUVXKRRUSA-N 2 1 330.516 3.395 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2C[C@H]4OCCC[C@H]24)C3)cc1 ZINC000248763262 163033254 /nfs/dbraw/zinc/03/32/54/163033254.db2.gz DYDOFXQXTQPGHK-KXXIFBCNSA-N 2 1 326.484 3.339 20 0 EGADMP C[N@H+](CCC[NH+]1CCCC1)CCOc1ccccc1Br ZINC000337229074 163171668 /nfs/dbraw/zinc/17/16/68/163171668.db2.gz RMMKSIKJRZULKV-UHFFFAOYSA-N 2 1 341.293 3.246 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)CCOc1ccccc1Br ZINC000337229074 163171671 /nfs/dbraw/zinc/17/16/71/163171671.db2.gz RMMKSIKJRZULKV-UHFFFAOYSA-N 2 1 341.293 3.246 20 0 EGADMP COc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1Br ZINC000337271582 163189019 /nfs/dbraw/zinc/18/90/19/163189019.db2.gz NTTUYFDNBKUJSX-UHFFFAOYSA-N 2 1 341.293 3.375 20 0 EGADMP COc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1Br ZINC000337271582 163189021 /nfs/dbraw/zinc/18/90/21/163189021.db2.gz NTTUYFDNBKUJSX-UHFFFAOYSA-N 2 1 341.293 3.375 20 0 EGADMP Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000343753436 164027405 /nfs/dbraw/zinc/02/74/05/164027405.db2.gz VCEFTQRHGARSNL-KBPBESRZSA-N 2 1 344.425 3.103 20 0 EGADMP Cn1cc(C(F)(F)F)nc1[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000343753436 164027406 /nfs/dbraw/zinc/02/74/06/164027406.db2.gz VCEFTQRHGARSNL-KBPBESRZSA-N 2 1 344.425 3.103 20 0 EGADMP Cn1cc(C(F)(F)F)nc1[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000343753436 164027408 /nfs/dbraw/zinc/02/74/08/164027408.db2.gz VCEFTQRHGARSNL-KBPBESRZSA-N 2 1 344.425 3.103 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)cc1)C(C)C ZINC000343827839 164044775 /nfs/dbraw/zinc/04/47/75/164044775.db2.gz LUGQAXVFXFOAPC-OXQOHEQNSA-N 2 1 343.515 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1)C(C)C ZINC000343827839 164044778 /nfs/dbraw/zinc/04/47/78/164044778.db2.gz LUGQAXVFXFOAPC-OXQOHEQNSA-N 2 1 343.515 3.129 20 0 EGADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000343947332 164071254 /nfs/dbraw/zinc/07/12/54/164071254.db2.gz XLZHOHMQGKVTQQ-GOSISDBHSA-N 2 1 341.455 3.026 20 0 EGADMP CCc1cnc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000346117066 164340476 /nfs/dbraw/zinc/34/04/76/164340476.db2.gz ARHUHGCFEIAATL-GJZGRUSLSA-N 2 1 337.533 3.027 20 0 EGADMP Cc1nc2ccccn2c1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354902651 166059913 /nfs/dbraw/zinc/05/99/13/166059913.db2.gz UHYCOWBJFZYRHC-UHFFFAOYSA-N 2 1 349.482 3.386 20 0 EGADMP c1cc(C2CCC2)ccc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000350303491 165026740 /nfs/dbraw/zinc/02/67/40/165026740.db2.gz VOBFHIRRZRNPLB-UHFFFAOYSA-N 2 1 327.516 3.168 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000350953830 165086289 /nfs/dbraw/zinc/08/62/89/165086289.db2.gz XAMJBLPNTNFCMO-HZPDHXFCSA-N 2 1 331.460 3.322 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000355210323 166134906 /nfs/dbraw/zinc/13/49/06/166134906.db2.gz BJDMMGWZQISBCT-RNQOJCNYSA-N 2 1 344.499 3.076 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2cc(F)ccc2o1 ZINC000355216230 166137081 /nfs/dbraw/zinc/13/70/81/166137081.db2.gz UPGWLHBWLLLSAF-AYBZRNKSSA-N 2 1 332.419 3.255 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc2cc(F)ccc2o1 ZINC000355216230 166137084 /nfs/dbraw/zinc/13/70/84/166137084.db2.gz UPGWLHBWLLLSAF-AYBZRNKSSA-N 2 1 332.419 3.255 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000355661110 166277199 /nfs/dbraw/zinc/27/71/99/166277199.db2.gz RHLPNRCJTMXWBU-SOLBZPMBSA-N 2 1 331.504 3.105 20 0 EGADMP C[C@@H]1CCCN1C(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000357007435 166560754 /nfs/dbraw/zinc/56/07/54/166560754.db2.gz DAFZFGGPVLPMCJ-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+]1CCC[C@H](CNCc2cccc(Br)c2OC)C1 ZINC000359015125 167037453 /nfs/dbraw/zinc/03/74/53/167037453.db2.gz BXBIYLKFCJISCM-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(Br)c2OC)C1 ZINC000359015125 167037455 /nfs/dbraw/zinc/03/74/55/167037455.db2.gz BXBIYLKFCJISCM-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(Br)c2OC)C1 ZINC000359015125 167037457 /nfs/dbraw/zinc/03/74/57/167037457.db2.gz BXBIYLKFCJISCM-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000359191860 167091996 /nfs/dbraw/zinc/09/19/96/167091996.db2.gz OMWYKZXLFFXHRB-WIYYLYMNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CCC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000359191860 167091998 /nfs/dbraw/zinc/09/19/98/167091998.db2.gz OMWYKZXLFFXHRB-WIYYLYMNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CCC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000359191860 167091999 /nfs/dbraw/zinc/09/19/99/167091999.db2.gz OMWYKZXLFFXHRB-WIYYLYMNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)CCC2CC[NH2+]CC2)CC[NH+]1Cc1ccccc1 ZINC000359191860 167092002 /nfs/dbraw/zinc/09/20/02/167092002.db2.gz OMWYKZXLFFXHRB-WIYYLYMNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)CC[NH+]1Cc1ccccc1 ZINC000359191860 167092004 /nfs/dbraw/zinc/09/20/04/167092004.db2.gz OMWYKZXLFFXHRB-WIYYLYMNSA-N 3 1 329.532 3.361 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)C[C@H]1C ZINC000359867341 167253801 /nfs/dbraw/zinc/25/38/01/167253801.db2.gz BWKMXYFQXITTLV-SJLPKXTDSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)C[C@H]1C ZINC000359867341 167253804 /nfs/dbraw/zinc/25/38/04/167253804.db2.gz BWKMXYFQXITTLV-SJLPKXTDSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)C[C@H]1C ZINC000359867341 167253807 /nfs/dbraw/zinc/25/38/07/167253807.db2.gz BWKMXYFQXITTLV-SJLPKXTDSA-N 2 1 337.552 3.076 20 0 EGADMP Cc1cc(NC[C@H]2C[N@H+](C)CCN2C)c2cc(Cl)cc(C)c2[nH+]1 ZINC000360277442 167287927 /nfs/dbraw/zinc/28/79/27/167287927.db2.gz BQOFOJYNZQFFHP-HNNXBMFYSA-N 2 1 332.879 3.163 20 0 EGADMP Cc1cc(NC[C@@H]2C[N@H+](C)CCN2C)c2cc(Cl)cc(C)c2[nH+]1 ZINC000360277455 167288178 /nfs/dbraw/zinc/28/81/78/167288178.db2.gz BQOFOJYNZQFFHP-OAHLLOKOSA-N 2 1 332.879 3.163 20 0 EGADMP O=C(NC1CCCCC1)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000366352366 168110122 /nfs/dbraw/zinc/11/01/22/168110122.db2.gz CONBMJILWWPWKH-UHFFFAOYSA-N 2 1 335.536 3.023 20 0 EGADMP CSc1cccc(NC(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000366885308 168152692 /nfs/dbraw/zinc/15/26/92/168152692.db2.gz PYLKMJNPFSVWAY-UHFFFAOYSA-N 2 1 347.528 3.155 20 0 EGADMP CC(C)n1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000367967106 168290471 /nfs/dbraw/zinc/29/04/71/168290471.db2.gz SYQNJDFTKJJUMP-LEWJYISDSA-N 2 1 338.499 3.418 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Oc2ccncc2C)CC1 ZINC000368055062 168305149 /nfs/dbraw/zinc/30/51/49/168305149.db2.gz GSTWWOXGQWNTHF-UHFFFAOYSA-N 2 1 328.460 3.219 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Oc2ncccc2C)CC1 ZINC000368069510 168307096 /nfs/dbraw/zinc/30/70/96/168307096.db2.gz ADIIEPMKNCQMLD-UHFFFAOYSA-N 2 1 328.460 3.219 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000339362468 287267876 /nfs/dbraw/zinc/26/78/76/287267876.db2.gz LYEGTBMZQWQJRL-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000339362468 287267877 /nfs/dbraw/zinc/26/78/77/287267877.db2.gz LYEGTBMZQWQJRL-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000339362468 287267878 /nfs/dbraw/zinc/26/78/78/287267878.db2.gz LYEGTBMZQWQJRL-MJGOQNOKSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000237475960 287355401 /nfs/dbraw/zinc/35/54/01/287355401.db2.gz QYWNGIRARDUGMZ-NSISKUIASA-N 2 1 343.515 3.052 20 0 EGADMP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000167237848 226184553 /nfs/dbraw/zinc/18/45/53/226184553.db2.gz WVTIHBSTKSGYPV-JENIJYKNSA-N 2 1 334.504 3.229 20 0 EGADMP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000167237848 226184555 /nfs/dbraw/zinc/18/45/55/226184555.db2.gz WVTIHBSTKSGYPV-JENIJYKNSA-N 2 1 334.504 3.229 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)CO[C@@H]2CCOC2)cc1 ZINC000166464876 226160530 /nfs/dbraw/zinc/16/05/30/226160530.db2.gz OKUROIQLZXJHJD-SPYBWZPUSA-N 2 1 329.444 3.025 20 0 EGADMP CSc1ccc(OCC[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000173692141 264996952 /nfs/dbraw/zinc/99/69/52/264996952.db2.gz DBWZBJVFGZNPTC-UHFFFAOYSA-N 2 1 345.512 3.476 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Br)cc2)[C@H](C)C1 ZINC000178424813 265315981 /nfs/dbraw/zinc/31/59/81/265315981.db2.gz FCPLYSUYVMTNFW-CJNGLKHVSA-N 2 1 325.294 3.312 20 0 EGADMP CCC[N@H+]1CC[C@H](CN[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000274898539 267304331 /nfs/dbraw/zinc/30/43/31/267304331.db2.gz KQQABFMRNGHCOO-NRSPTQNISA-N 2 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CC[C@H](CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000274898539 267304333 /nfs/dbraw/zinc/30/43/33/267304333.db2.gz KQQABFMRNGHCOO-NRSPTQNISA-N 2 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CC[C@H](CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000274898539 267304336 /nfs/dbraw/zinc/30/43/36/267304336.db2.gz KQQABFMRNGHCOO-NRSPTQNISA-N 2 1 329.532 3.219 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000274898539 267304338 /nfs/dbraw/zinc/30/43/38/267304338.db2.gz KQQABFMRNGHCOO-NRSPTQNISA-N 3 1 329.532 3.219 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000274898539 267304342 /nfs/dbraw/zinc/30/43/42/267304342.db2.gz KQQABFMRNGHCOO-NRSPTQNISA-N 3 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000274898539 267304347 /nfs/dbraw/zinc/30/43/47/267304347.db2.gz KQQABFMRNGHCOO-NRSPTQNISA-N 3 1 329.532 3.219 20 0 EGADMP CCC[NH+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000274898539 267304350 /nfs/dbraw/zinc/30/43/50/267304350.db2.gz KQQABFMRNGHCOO-NRSPTQNISA-N 3 1 329.532 3.219 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278412982 268007168 /nfs/dbraw/zinc/00/71/68/268007168.db2.gz FNHRRCBEIDRWPO-KSZLIROESA-N 2 1 334.504 3.278 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278412982 268007171 /nfs/dbraw/zinc/00/71/71/268007171.db2.gz FNHRRCBEIDRWPO-KSZLIROESA-N 2 1 334.504 3.278 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000089410270 274020518 /nfs/dbraw/zinc/02/05/18/274020518.db2.gz QHBRGGORJBHAAX-IBGZPJMESA-N 2 1 334.529 3.108 20 0 EGADMP C[NH+](C)CC[C@H]([NH2+]Cc1cncc(Br)c1)C(C)(C)C ZINC000183712011 275210839 /nfs/dbraw/zinc/21/08/39/275210839.db2.gz WQIYRZRPBLJKMM-AWEZNQCLSA-N 2 1 328.298 3.300 20 0 EGADMP CSc1ccccc1[C@@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000194883685 275229170 /nfs/dbraw/zinc/22/91/70/275229170.db2.gz ZYBMWSHFSVYECU-MRXNPFEDSA-N 2 1 335.561 3.333 20 0 EGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000271895978 275239397 /nfs/dbraw/zinc/23/93/97/275239397.db2.gz FSEKNYNKVUUDLS-VLCRHTCISA-N 2 1 336.479 3.099 20 0 EGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000271895978 275239399 /nfs/dbraw/zinc/23/93/99/275239399.db2.gz FSEKNYNKVUUDLS-VLCRHTCISA-N 2 1 336.479 3.099 20 0 EGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000271895978 275239401 /nfs/dbraw/zinc/23/94/01/275239401.db2.gz FSEKNYNKVUUDLS-VLCRHTCISA-N 2 1 336.479 3.099 20 0 EGADMP COc1cccc(C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C2CC2)c1 ZINC000278797754 275275739 /nfs/dbraw/zinc/27/57/39/275275739.db2.gz YZNHTNLEQICNFR-DYESRHJHSA-N 2 1 346.515 3.107 20 0 EGADMP COc1cccc(C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C2CC2)c1 ZINC000278797754 275275740 /nfs/dbraw/zinc/27/57/40/275275740.db2.gz YZNHTNLEQICNFR-DYESRHJHSA-N 2 1 346.515 3.107 20 0 EGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CCS2 ZINC000279047277 275299041 /nfs/dbraw/zinc/29/90/41/275299041.db2.gz XRIBPMFUADRRLX-CJNGLKHVSA-N 2 1 329.469 3.281 20 0 EGADMP CC(=O)Nc1ccccc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279628761 275345253 /nfs/dbraw/zinc/34/52/53/275345253.db2.gz HQILQTZKCUMCTH-OYRHEFFESA-N 2 1 349.478 3.209 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280040305 275395471 /nfs/dbraw/zinc/39/54/71/275395471.db2.gz ITQJIWOFQZXMSH-XKGZKEIXSA-N 2 1 338.499 3.298 20 0 EGADMP CCCCOC[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000280043017 275395852 /nfs/dbraw/zinc/39/58/52/275395852.db2.gz OGAOHGHFRYHTRE-NRFANRHFSA-N 2 1 348.531 3.008 20 0 EGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000280045974 275396533 /nfs/dbraw/zinc/39/65/33/275396533.db2.gz VSXZTQRZFHLYAX-HUUCEWRRSA-N 2 1 332.488 3.412 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000154509593 276194805 /nfs/dbraw/zinc/19/48/05/276194805.db2.gz NJYXEYWASXLQRC-MOPGFXCFSA-N 2 1 347.547 3.195 20 0 EGADMP COc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1O ZINC000288473137 276217818 /nfs/dbraw/zinc/21/78/18/276217818.db2.gz PDNJDTFNWYCKNZ-CRAIPNDOSA-N 2 1 326.440 3.153 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2Cc3ccccc3OC(C)(C)C2)CC1 ZINC000288793788 276253887 /nfs/dbraw/zinc/25/38/87/276253887.db2.gz KEOXNINFJORXMK-UHFFFAOYSA-N 2 1 345.531 3.076 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(COCCOC)cc2)CC1 ZINC000289188270 276302042 /nfs/dbraw/zinc/30/20/42/276302042.db2.gz UBZXYPBJZXBFAN-UHFFFAOYSA-N 2 1 334.504 3.156 20 0 EGADMP C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289545500 276355896 /nfs/dbraw/zinc/35/58/96/276355896.db2.gz CWMBGDDJNRNAMP-MLGOLLRUSA-N 2 1 330.394 3.153 20 0 EGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000289545500 276355898 /nfs/dbraw/zinc/35/58/98/276355898.db2.gz CWMBGDDJNRNAMP-MLGOLLRUSA-N 2 1 330.394 3.153 20 0 EGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000289545500 276355899 /nfs/dbraw/zinc/35/58/99/276355899.db2.gz CWMBGDDJNRNAMP-MLGOLLRUSA-N 2 1 330.394 3.153 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)C[C@@H]1c1ccccc1 ZINC000340306544 277172993 /nfs/dbraw/zinc/17/29/93/277172993.db2.gz HQDFXUBUPKSEIJ-NMLBUPMWSA-N 2 1 346.540 3.466 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)C[C@@H]1c1ccccc1 ZINC000340306544 277172994 /nfs/dbraw/zinc/17/29/94/277172994.db2.gz HQDFXUBUPKSEIJ-NMLBUPMWSA-N 2 1 346.540 3.466 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000359941605 278274672 /nfs/dbraw/zinc/27/46/72/278274672.db2.gz LCOIVUDDTWAIOK-VHSSKADRSA-N 2 1 327.472 3.194 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000359941605 278274675 /nfs/dbraw/zinc/27/46/75/278274675.db2.gz LCOIVUDDTWAIOK-VHSSKADRSA-N 2 1 327.472 3.194 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH+](CC)C[C@H]2C)cc1)C(C)C ZINC000345915439 279235028 /nfs/dbraw/zinc/23/50/28/279235028.db2.gz YMXNRKRAUDGXPE-QZTJIDSGSA-N 2 1 345.531 3.472 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)cc1)C(C)C ZINC000345915439 279235031 /nfs/dbraw/zinc/23/50/31/279235031.db2.gz YMXNRKRAUDGXPE-QZTJIDSGSA-N 2 1 345.531 3.472 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)cc1)C(C)C ZINC000345915439 279235034 /nfs/dbraw/zinc/23/50/34/279235034.db2.gz YMXNRKRAUDGXPE-QZTJIDSGSA-N 2 1 345.531 3.472 20 0 EGADMP CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000106458556 280176397 /nfs/dbraw/zinc/17/63/97/280176397.db2.gz ZNXVOPSAXCVVJA-YLJYHZDGSA-N 2 1 345.531 3.263 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(CO)o3)cc2)C1 ZINC000174269839 533691433 /nfs/dbraw/zinc/69/14/33/533691433.db2.gz IICDZUNMAOJKSF-MRXNPFEDSA-N 2 1 328.456 3.294 20 0 EGADMP [NH3+]CC1(CC(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)CCCCC1 ZINC000261956240 295221858 /nfs/dbraw/zinc/22/18/58/295221858.db2.gz LYTDMJWAZKYBOA-QGZVFWFLSA-N 2 1 349.906 3.112 20 0 EGADMP COC(=O)c1cnc([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000414077206 309059508 /nfs/dbraw/zinc/05/95/08/309059508.db2.gz QZEYCVSSCLTFHM-UONOGXRCSA-N 2 1 339.505 3.235 20 0 EGADMP COC(=O)c1cnc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000414077206 309059509 /nfs/dbraw/zinc/05/95/09/309059509.db2.gz QZEYCVSSCLTFHM-UONOGXRCSA-N 2 1 339.505 3.235 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CCCO1 ZINC000414122196 309062134 /nfs/dbraw/zinc/06/21/34/309062134.db2.gz AYZXKFUPDGSZAW-IKGGRYGDSA-N 2 1 326.525 3.059 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CCCO1 ZINC000414122196 309062135 /nfs/dbraw/zinc/06/21/35/309062135.db2.gz AYZXKFUPDGSZAW-IKGGRYGDSA-N 2 1 326.525 3.059 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)[C@@H](C)C1 ZINC000414179536 309065129 /nfs/dbraw/zinc/06/51/29/309065129.db2.gz KTCZBOCLAVLPFV-LWCVALJOSA-N 2 1 334.479 3.408 20 0 EGADMP C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000414350963 309074604 /nfs/dbraw/zinc/07/46/04/309074604.db2.gz MKFTYSAHZBSYKT-AWEZNQCLSA-N 2 1 329.463 3.465 20 0 EGADMP C[C@@H](NCC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248540440 308005152 /nfs/dbraw/zinc/00/51/52/308005152.db2.gz BDCPHUGGDOMAGZ-MLYOOKFZSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248540440 308005154 /nfs/dbraw/zinc/00/51/54/308005154.db2.gz BDCPHUGGDOMAGZ-MLYOOKFZSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248540440 308005156 /nfs/dbraw/zinc/00/51/56/308005156.db2.gz BDCPHUGGDOMAGZ-MLYOOKFZSA-N 2 1 349.563 3.266 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000248756950 308011005 /nfs/dbraw/zinc/01/10/05/308011005.db2.gz HUDSTJCFGZTBPW-ZWKOTPCHSA-N 2 1 348.535 3.337 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000248756950 308011006 /nfs/dbraw/zinc/01/10/06/308011006.db2.gz HUDSTJCFGZTBPW-ZWKOTPCHSA-N 2 1 348.535 3.337 20 0 EGADMP Brc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000269978560 308066636 /nfs/dbraw/zinc/06/66/36/308066636.db2.gz QFZGMDBEHYULIN-RYUDHWBXSA-N 2 1 329.307 3.270 20 0 EGADMP CC(C)O[C@@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000293358765 308123390 /nfs/dbraw/zinc/12/33/90/308123390.db2.gz YJNOQCIYCHPDSC-NRFANRHFSA-N 2 1 347.547 3.111 20 0 EGADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H](CC(N)=O)c3ccccc3)CC2)C1 ZINC000293515045 308137800 /nfs/dbraw/zinc/13/78/00/308137800.db2.gz ANUVEMXVTYEUKE-DBVUQKKJSA-N 2 1 343.515 3.236 20 0 EGADMP COc1cccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1OC(F)F ZINC000293587335 308144375 /nfs/dbraw/zinc/14/43/75/308144375.db2.gz IEPJAMXGOAQJAK-SFHVURJKSA-N 2 1 340.414 3.214 20 0 EGADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC000293613953 308146664 /nfs/dbraw/zinc/14/66/64/308146664.db2.gz KEKWDUXPVNXYHY-IBGZPJMESA-N 2 1 328.435 3.134 20 0 EGADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC000293613953 308146665 /nfs/dbraw/zinc/14/66/65/308146665.db2.gz KEKWDUXPVNXYHY-IBGZPJMESA-N 2 1 328.435 3.134 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC000293613953 308146666 /nfs/dbraw/zinc/14/66/66/308146666.db2.gz KEKWDUXPVNXYHY-IBGZPJMESA-N 2 1 328.435 3.134 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC000293613953 308146667 /nfs/dbraw/zinc/14/66/67/308146667.db2.gz KEKWDUXPVNXYHY-IBGZPJMESA-N 2 1 328.435 3.134 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCCN[C@@H](c2nc[nH]n2)c2ccc(F)cc2)C1 ZINC000293670237 308151328 /nfs/dbraw/zinc/15/13/28/308151328.db2.gz JRXZUESHZBQLPX-MAUKXSAKSA-N 2 1 345.466 3.135 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293755431 308158963 /nfs/dbraw/zinc/15/89/63/308158963.db2.gz QSADBAQOOGGQFX-DJIMGWMZSA-N 2 1 328.435 3.289 20 0 EGADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(C(=O)OC)cc1 ZINC000294727219 308250396 /nfs/dbraw/zinc/25/03/96/308250396.db2.gz KMAIVDSGNWJZPQ-GOSISDBHSA-N 2 1 329.444 3.499 20 0 EGADMP Brc1ncc(CN2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000294849871 308263830 /nfs/dbraw/zinc/26/38/30/308263830.db2.gz BZBYNYZSCWFPFG-VIFPVBQESA-N 2 1 327.251 3.008 20 0 EGADMP Cc1cnccc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000294829636 308262054 /nfs/dbraw/zinc/26/20/54/308262054.db2.gz NHRZIGURGVZJQP-HDICACEKSA-N 2 1 331.504 3.101 20 0 EGADMP C[C@H](CCCO)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000294864926 308265711 /nfs/dbraw/zinc/26/57/11/308265711.db2.gz UERQCXJIQBRTPW-CWJKEVGVSA-N 2 1 330.516 3.285 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](C)CCc2ccc(Br)cc2)CC[NH2+]1 ZINC000414696866 309095945 /nfs/dbraw/zinc/09/59/45/309095945.db2.gz QPNDBMZFTQJRIT-UKRRQHHQSA-N 2 1 325.294 3.312 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000414706553 309096503 /nfs/dbraw/zinc/09/65/03/309096503.db2.gz YIBLLRSVGAWGAY-UKAVVXHISA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000414706553 309096504 /nfs/dbraw/zinc/09/65/04/309096504.db2.gz YIBLLRSVGAWGAY-UKAVVXHISA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000414706553 309096505 /nfs/dbraw/zinc/09/65/05/309096505.db2.gz YIBLLRSVGAWGAY-UKAVVXHISA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000414706553 309096506 /nfs/dbraw/zinc/09/65/06/309096506.db2.gz YIBLLRSVGAWGAY-UKAVVXHISA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000414706553 309096507 /nfs/dbraw/zinc/09/65/07/309096507.db2.gz YIBLLRSVGAWGAY-UKAVVXHISA-N 3 1 329.532 3.359 20 0 EGADMP COc1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)ccc1OCC(F)(F)F ZINC000414666811 309094593 /nfs/dbraw/zinc/09/45/93/309094593.db2.gz XQBHZIHKUMBDKY-CQSZACIVSA-N 2 1 348.409 3.442 20 0 EGADMP CCCC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)c1ccccc1 ZINC000414718903 309097321 /nfs/dbraw/zinc/09/73/21/309097321.db2.gz ZWVFPMOKRVYBPK-ROUUACIJSA-N 2 1 331.504 3.047 20 0 EGADMP CCC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H](CC)c1ccccc1 ZINC000414673181 309094831 /nfs/dbraw/zinc/09/48/31/309094831.db2.gz IPPWLZDSRHAYKM-PKOBYXMFSA-N 2 1 331.504 3.047 20 0 EGADMP C[C@@H](O)C[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000414768323 309099720 /nfs/dbraw/zinc/09/97/20/309099720.db2.gz USBJQHPDLCULQZ-YFHUEUNASA-N 2 1 338.923 3.342 20 0 EGADMP Fc1cc(Br)ccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414779910 309100668 /nfs/dbraw/zinc/10/06/68/309100668.db2.gz KXAQDUGHTMYNGU-QWHCGFSZSA-N 2 1 341.268 3.410 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414782241 309100829 /nfs/dbraw/zinc/10/08/29/309100829.db2.gz OBSKKYWRJXPDMP-ROUUACIJSA-N 2 1 332.488 3.306 20 0 EGADMP c1cc(OC[C@@H]2CCCO2)ccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414788491 309101330 /nfs/dbraw/zinc/10/13/30/309101330.db2.gz WPJGTAWTUNOZOP-ZVDOUQERSA-N 2 1 344.499 3.066 20 0 EGADMP COc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)c(-c2ccccc2)cc1OC ZINC000414790470 309101446 /nfs/dbraw/zinc/10/14/46/309101446.db2.gz GQWFAHGBNITNAV-SFHVURJKSA-N 2 1 328.456 3.444 20 0 EGADMP CCCCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414794817 309101797 /nfs/dbraw/zinc/10/17/97/309101797.db2.gz WCKKTVXKTZBBSM-GOSISDBHSA-N 2 1 332.488 3.053 20 0 EGADMP COc1cc(C[NH2+]CC(C)(C)[NH3+])cc(OC)c1OCc1ccccc1 ZINC000414806948 309102654 /nfs/dbraw/zinc/10/26/54/309102654.db2.gz QTYBJTPNBPIFCN-UHFFFAOYSA-N 2 1 344.455 3.110 20 0 EGADMP CCC([NH3+])(CC)C[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000414809758 309102884 /nfs/dbraw/zinc/10/28/84/309102884.db2.gz NAZUJIFDIGIDRA-UHFFFAOYSA-N 2 1 339.281 3.012 20 0 EGADMP FC(F)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414823527 309103729 /nfs/dbraw/zinc/10/37/29/309103729.db2.gz DTTPYGHNDOVXGV-JTQLQIEISA-N 2 1 349.219 3.140 20 0 EGADMP Cc1nc(COc2ccc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc2)cs1 ZINC000414856403 309106014 /nfs/dbraw/zinc/10/60/14/309106014.db2.gz YWHLPUDOBRHUOI-MRXNPFEDSA-N 2 1 333.501 3.494 20 0 EGADMP COc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1OCc1ccccc1 ZINC000414875859 309106752 /nfs/dbraw/zinc/10/67/52/309106752.db2.gz KKQRVGVOZLSAKW-UHFFFAOYSA-N 2 1 326.440 3.245 20 0 EGADMP COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@@H]([NH3+])C3CC3)cc2)c1 ZINC000414894609 309107726 /nfs/dbraw/zinc/10/77/26/309107726.db2.gz UBGOPBZSAFOPPP-HXUWFJFHSA-N 2 1 342.439 3.323 20 0 EGADMP C[C@H](C[NH3+])[NH2+][C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000414934188 309109957 /nfs/dbraw/zinc/10/99/57/309109957.db2.gz VBKZSKSSZLPFNB-VXGBXAGGSA-N 2 1 337.261 3.306 20 0 EGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000415082914 309119070 /nfs/dbraw/zinc/11/90/70/309119070.db2.gz MIWLWIXDQMRRER-ZFWWWQNUSA-N 2 1 345.409 3.423 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415100360 309120352 /nfs/dbraw/zinc/12/03/52/309120352.db2.gz ACWRCSCWYKCYKN-OXJNMPFZSA-N 2 1 340.515 3.273 20 0 EGADMP C[NH2+]CCC[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000415137931 309123267 /nfs/dbraw/zinc/12/32/67/309123267.db2.gz UMSITNWVADLJBU-UHFFFAOYSA-N 2 1 349.482 3.035 20 0 EGADMP C[NH2+]CCC[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000415137931 309123268 /nfs/dbraw/zinc/12/32/68/309123268.db2.gz UMSITNWVADLJBU-UHFFFAOYSA-N 2 1 349.482 3.035 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000415904974 309147340 /nfs/dbraw/zinc/14/73/40/309147340.db2.gz HIGXTKKPQSURMA-CRAIPNDOSA-N 2 1 332.492 3.133 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000415928838 309149268 /nfs/dbraw/zinc/14/92/68/309149268.db2.gz GDFYGPZPGFYJRD-HZPDHXFCSA-N 2 1 332.492 3.038 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)n(C)n1 ZINC000417936698 309228869 /nfs/dbraw/zinc/22/88/69/309228869.db2.gz GCWVDAXXLLNAFX-UHFFFAOYSA-N 2 1 338.455 3.243 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420293636 309279788 /nfs/dbraw/zinc/27/97/88/309279788.db2.gz RKEZEBXVZNUHEX-APWZRJJASA-N 2 1 325.456 3.220 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420293636 309279789 /nfs/dbraw/zinc/27/97/89/309279789.db2.gz RKEZEBXVZNUHEX-APWZRJJASA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@@H](C)[N@H+](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420297773 309279981 /nfs/dbraw/zinc/27/99/81/309279981.db2.gz DNRMAINDIFNCMP-QMMLZNLJSA-N 2 1 326.484 3.218 20 0 EGADMP COC(=O)CC1(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000420305451 309280662 /nfs/dbraw/zinc/28/06/62/309280662.db2.gz GIOKGSFQOOVPMC-RTBURBONSA-N 2 1 344.499 3.002 20 0 EGADMP CCC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000420313602 309281127 /nfs/dbraw/zinc/28/11/27/309281127.db2.gz YDIFFWBJKFQRGG-NBYUQASBSA-N 2 1 346.515 3.263 20 0 EGADMP CC[C@@](C)([NH2+]C[C@@H](C[NH3+])c1ccc(OC)cc1)c1nc(C)cs1 ZINC000420316237 309281417 /nfs/dbraw/zinc/28/14/17/309281417.db2.gz LXVIDBQRHPGZBY-CRAIPNDOSA-N 2 1 333.501 3.417 20 0 EGADMP C[N@H+](Cc1csc2ccccc12)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420317715 309281743 /nfs/dbraw/zinc/28/17/43/309281743.db2.gz NUMPPPBHDXIYPZ-OALUTQOASA-N 2 1 340.492 3.264 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCC23CC4CC(CC(C4)C2)C3)CC12CCOCC2 ZINC000420321546 309281993 /nfs/dbraw/zinc/28/19/93/309281993.db2.gz CRVRUEOGPNOENR-WFRNDULYSA-N 2 1 332.532 3.280 20 0 EGADMP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000420320817 309282073 /nfs/dbraw/zinc/28/20/73/309282073.db2.gz BYXDHWYMZCHGTN-NEPJUHHUSA-N 2 1 333.423 3.292 20 0 EGADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c(C)c1 ZINC000420322894 309282116 /nfs/dbraw/zinc/28/21/16/309282116.db2.gz SRDNDZYUANXMRG-YYWHXJBOSA-N 2 1 326.484 3.227 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)ccc2o1 ZINC000420328941 309282648 /nfs/dbraw/zinc/28/26/48/309282648.db2.gz NOOLAVKWOPWYQV-HZPDHXFCSA-N 2 1 342.439 3.041 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336099 309282934 /nfs/dbraw/zinc/28/29/34/309282934.db2.gz ILQAJRXVEWPGPZ-JYJNAYRXSA-N 2 1 349.906 3.297 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336659 309283001 /nfs/dbraw/zinc/28/30/01/309283001.db2.gz IZADOGIBMDCONK-ROUUACIJSA-N 2 1 343.515 3.378 20 0 EGADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420343818 309283539 /nfs/dbraw/zinc/28/35/39/309283539.db2.gz RMRGNCSBPVUBKU-DJIMGWMZSA-N 2 1 326.444 3.119 20 0 EGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000420358690 309283980 /nfs/dbraw/zinc/28/39/80/309283980.db2.gz IYHLUSAVCZMXGO-GFCCVEGCSA-N 2 1 332.275 3.285 20 0 EGADMP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@H+]2CCOCC[NH3+])c1 ZINC000420370573 309284857 /nfs/dbraw/zinc/28/48/57/309284857.db2.gz JPRVBXILSXYPTE-LEWJYISDSA-N 2 1 340.467 3.201 20 0 EGADMP CC(C)(C)c1csc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)n1 ZINC000420394170 309286130 /nfs/dbraw/zinc/28/61/30/309286130.db2.gz RHLGGXCFPCBFQO-CABCVRRESA-N 2 1 337.533 3.159 20 0 EGADMP COCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC[C@@H](C)C1 ZINC000420916128 309300956 /nfs/dbraw/zinc/30/09/56/309300956.db2.gz GOFVDLCXWOMUQY-NQIIRXRSSA-N 2 1 346.515 3.156 20 0 EGADMP COCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC[C@@H](C)C1 ZINC000420916128 309300957 /nfs/dbraw/zinc/30/09/57/309300957.db2.gz GOFVDLCXWOMUQY-NQIIRXRSSA-N 2 1 346.515 3.156 20 0 EGADMP CCS[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420966893 309304954 /nfs/dbraw/zinc/30/49/54/309304954.db2.gz RXWRSQWQCHDAFX-OALUTQOASA-N 2 1 334.529 3.283 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCCC(F)(F)F)CC2)CC1 ZINC000420978059 309305287 /nfs/dbraw/zinc/30/52/87/309305287.db2.gz IRBZTPOTQYHOHP-UHFFFAOYSA-N 2 1 335.458 3.211 20 0 EGADMP COC1([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CCCC1 ZINC000421827159 309341797 /nfs/dbraw/zinc/34/17/97/309341797.db2.gz WNWDLFCLHHIEFI-ROUUACIJSA-N 2 1 346.515 3.345 20 0 EGADMP COC1([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CCCC1 ZINC000421827159 309341798 /nfs/dbraw/zinc/34/17/98/309341798.db2.gz WNWDLFCLHHIEFI-ROUUACIJSA-N 2 1 346.515 3.345 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccncc3Cl)CC2)nc(C)[nH+]1 ZINC000421828372 309342004 /nfs/dbraw/zinc/34/20/04/309342004.db2.gz CKVUYLAWQWXRMT-CYBMUJFWSA-N 2 1 345.878 3.461 20 0 EGADMP COc1ccccc1[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)[NH+]1CCCCC1 ZINC000422714101 309364444 /nfs/dbraw/zinc/36/44/44/309364444.db2.gz QSRGBIMQSMWMAT-HOJAQTOUSA-N 2 1 345.531 3.200 20 0 EGADMP c1csc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422735787 309365953 /nfs/dbraw/zinc/36/59/53/309365953.db2.gz WPRBDRYBPQJOCA-XDNAFOTISA-N 2 1 333.545 3.395 20 0 EGADMP CC1CC[NH+](Cc2cccc(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC000422735901 309365970 /nfs/dbraw/zinc/36/59/70/309365970.db2.gz FNIBPLOIBHAEMV-WCRBZPEASA-N 2 1 327.516 3.291 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](c1c(F)cccc1F)N(C)C ZINC000422745344 309366264 /nfs/dbraw/zinc/36/62/64/309366264.db2.gz MDJFWIIBRRUQSX-ZOCIIQOWSA-N 2 1 347.453 3.116 20 0 EGADMP COc1ccc([C@H](CN[C@@H]2CCCC[C@H]2C[NH3+])[NH+]2CCCCC2)cc1 ZINC000422770828 309367608 /nfs/dbraw/zinc/36/76/08/309367608.db2.gz WSWPURDIXAJTFK-TYPHKJRUSA-N 2 1 345.531 3.329 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)cc1 ZINC000422773295 309367615 /nfs/dbraw/zinc/36/76/15/309367615.db2.gz ZSFUKNWWPYTSKG-FDFHNCONSA-N 2 1 335.495 3.344 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422797102 309368965 /nfs/dbraw/zinc/36/89/65/309368965.db2.gz ZTMMXTWZHQOXNK-VQTJNVASSA-N 2 1 326.488 3.298 20 0 EGADMP c1ccc([C@H]2C[C@H]([NH2+]Cc3ccnc(N4CCCC4)c3)CC[NH2+]2)cc1 ZINC000422816242 309369992 /nfs/dbraw/zinc/36/99/92/309369992.db2.gz DTFUUDRFQQSMGJ-WOJBJXKFSA-N 2 1 336.483 3.265 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000422829848 309370751 /nfs/dbraw/zinc/37/07/51/309370751.db2.gz VBAZRXWNWODMRQ-IRXDYDNUSA-N 2 1 340.515 3.410 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000422829848 309370752 /nfs/dbraw/zinc/37/07/52/309370752.db2.gz VBAZRXWNWODMRQ-IRXDYDNUSA-N 3 1 340.515 3.410 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000422829848 309370753 /nfs/dbraw/zinc/37/07/53/309370753.db2.gz VBAZRXWNWODMRQ-IRXDYDNUSA-N 3 1 340.515 3.410 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422872533 309373069 /nfs/dbraw/zinc/37/30/69/309373069.db2.gz HMMUVKCSPJDRBG-HXHBTQRASA-N 2 1 337.511 3.198 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422891540 309374586 /nfs/dbraw/zinc/37/45/86/309374586.db2.gz VSTAONUSBUUQDY-ZQANELOGSA-N 2 1 327.516 3.016 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422891540 309374587 /nfs/dbraw/zinc/37/45/87/309374587.db2.gz VSTAONUSBUUQDY-ZQANELOGSA-N 3 1 327.516 3.016 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422891540 309374588 /nfs/dbraw/zinc/37/45/88/309374588.db2.gz VSTAONUSBUUQDY-ZQANELOGSA-N 3 1 327.516 3.016 20 0 EGADMP CC[C@H]([NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000422950513 309377620 /nfs/dbraw/zinc/37/76/20/309377620.db2.gz WESYSVVWOLMNMD-MNEFBYGVSA-N 2 1 340.467 3.457 20 0 EGADMP c1cc(-c2ccccc2)oc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000422974448 309379186 /nfs/dbraw/zinc/37/91/86/309379186.db2.gz QZVRFVWTDLWEII-GUDVDZBRSA-N 2 1 326.440 3.193 20 0 EGADMP COC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(C)o1 ZINC000423006102 309380602 /nfs/dbraw/zinc/38/06/02/309380602.db2.gz OALOWTATWOKLQT-UWVAXJGDSA-N 2 1 342.439 3.121 20 0 EGADMP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423009488 309380705 /nfs/dbraw/zinc/38/07/05/309380705.db2.gz CYTHPLSZMDPUSO-HFAKWTLXSA-N 2 1 329.257 3.249 20 0 EGADMP COCC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000423042900 309382595 /nfs/dbraw/zinc/38/25/95/309382595.db2.gz MPEHREKRCHHSNY-QKLQHJQFSA-N 2 1 342.439 3.203 20 0 EGADMP Cn1c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc2cccc(Cl)c21 ZINC000423053966 309383376 /nfs/dbraw/zinc/38/33/76/309383376.db2.gz SRTSKHPABBPLBI-BPLDGKMQSA-N 2 1 332.879 3.237 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423065467 309384209 /nfs/dbraw/zinc/38/42/09/309384209.db2.gz UMYHPLUMRLUANL-FNAHDJPLSA-N 2 1 341.543 3.407 20 0 EGADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423065467 309384210 /nfs/dbraw/zinc/38/42/10/309384210.db2.gz UMYHPLUMRLUANL-FNAHDJPLSA-N 2 1 341.543 3.407 20 0 EGADMP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423108867 309386311 /nfs/dbraw/zinc/38/63/11/309386311.db2.gz RPMRQQHNSRZNOQ-ZYSHUDEJSA-N 2 1 331.479 3.436 20 0 EGADMP CC(C)OCCOC1CC[NH+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000423155504 309388626 /nfs/dbraw/zinc/38/86/26/309388626.db2.gz LGQHKQNLGNJGQA-CTNGQTDRSA-N 2 1 346.515 3.386 20 0 EGADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000423165811 309388966 /nfs/dbraw/zinc/38/89/66/309388966.db2.gz UXTREMUXAIQMDG-YSIASYRMSA-N 2 1 344.524 3.461 20 0 EGADMP Fc1cccc(Cl)c1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423170000 309388982 /nfs/dbraw/zinc/38/89/82/309388982.db2.gz KYRQBCGNNFGAPW-UNTBTUBKSA-N 2 1 338.854 3.082 20 0 EGADMP Clc1cccc(CC2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CC2)c1 ZINC000423173117 309389243 /nfs/dbraw/zinc/38/92/43/309389243.db2.gz WYMXAAKFLYYLHT-QRVBRYPASA-N 2 1 348.918 3.409 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3CCC[NH2+]C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423220074 309390989 /nfs/dbraw/zinc/39/09/89/309390989.db2.gz XWKIUJLIKQIYKM-ANULTFPQSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCC[NH2+]C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423220074 309390990 /nfs/dbraw/zinc/39/09/90/309390990.db2.gz XWKIUJLIKQIYKM-ANULTFPQSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCC[NH2+]C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423220074 309390991 /nfs/dbraw/zinc/39/09/91/309390991.db2.gz XWKIUJLIKQIYKM-ANULTFPQSA-N 3 1 327.516 3.019 20 0 EGADMP [NH3+]C[C@@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)C1CCCCC1 ZINC000423260694 309392836 /nfs/dbraw/zinc/39/28/36/309392836.db2.gz IDAYZTGHCXTLMP-GOSISDBHSA-N 2 1 337.458 3.431 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])nnn1-c1ccc(C)cc1 ZINC000423263886 309392998 /nfs/dbraw/zinc/39/29/98/309392998.db2.gz BILMIWTVIOYAQO-QILLFSRXSA-N 2 1 327.476 3.052 20 0 EGADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000423266102 309393128 /nfs/dbraw/zinc/39/31/28/309393128.db2.gz CTJPYPBTNCOZKT-VHSXEESVSA-N 2 1 338.345 3.396 20 0 EGADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423322628 309395142 /nfs/dbraw/zinc/39/51/42/309395142.db2.gz NZTHMYZOEKFSPP-FDQGKXFDSA-N 2 1 336.451 3.162 20 0 EGADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000423340776 309396144 /nfs/dbraw/zinc/39/61/44/309396144.db2.gz UAPPKYWZIVBSNN-FUHIMQAGSA-N 2 1 343.515 3.065 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3c2CCCN3)[C@@H](C)C1 ZINC000423418042 309399489 /nfs/dbraw/zinc/39/94/89/309399489.db2.gz UBPHWFRTOLSEHA-FXAWDEMLSA-N 2 1 345.531 3.271 20 0 EGADMP COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000423501403 309403274 /nfs/dbraw/zinc/40/32/74/309403274.db2.gz CSNRVODWQSGXSM-OCCSQVGLSA-N 2 1 333.457 3.061 20 0 EGADMP CCn1cccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)c1=O ZINC000433098301 309678862 /nfs/dbraw/zinc/67/88/62/309678862.db2.gz TWWJDEAZIKWUSI-LPHOPBHVSA-N 2 1 331.504 3.001 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449069847 310034634 /nfs/dbraw/zinc/03/46/34/310034634.db2.gz AAMQPWQCXWBZGM-AWEZNQCLSA-N 2 1 341.434 3.157 20 0 EGADMP C[C@H](Cc1coc2ccccc12)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000449132020 310039258 /nfs/dbraw/zinc/03/92/58/310039258.db2.gz RDOYDPMEERUDBI-QGZVFWFLSA-N 2 1 343.515 3.227 20 0 EGADMP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)OC ZINC000449404979 310059218 /nfs/dbraw/zinc/05/92/18/310059218.db2.gz WPAMNADOKKVUSG-JXFKEZNVSA-N 2 1 336.495 3.483 20 0 EGADMP CC[C@@H](C)[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)OC ZINC000449404993 310059350 /nfs/dbraw/zinc/05/93/50/310059350.db2.gz WPAMNADOKKVUSG-OXQOHEQNSA-N 2 1 336.495 3.483 20 0 EGADMP CC(C)[N@H+]1CCc2nc(CN3CCSC[C@@H]3C3CC3)sc2C1 ZINC000449526429 310069040 /nfs/dbraw/zinc/06/90/40/310069040.db2.gz DREJOXFDTIJOLV-OAHLLOKOSA-N 2 1 337.558 3.237 20 0 EGADMP CC(C)N1CCc2nc(CN3CCSC[C@@H]3C3CC3)sc2C1 ZINC000449526429 310069041 /nfs/dbraw/zinc/06/90/41/310069041.db2.gz DREJOXFDTIJOLV-OAHLLOKOSA-N 2 1 337.558 3.237 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000450858070 310146250 /nfs/dbraw/zinc/14/62/50/310146250.db2.gz SFWNVHHIZMMPHK-PKOBYXMFSA-N 2 1 329.488 3.322 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000450858070 310146251 /nfs/dbraw/zinc/14/62/51/310146251.db2.gz SFWNVHHIZMMPHK-PKOBYXMFSA-N 2 1 329.488 3.322 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)CO2 ZINC000453061389 310255226 /nfs/dbraw/zinc/25/52/26/310255226.db2.gz PCKFXNOESQGWJE-AEFFLSMTSA-N 2 1 332.488 3.100 20 0 EGADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453070160 310255883 /nfs/dbraw/zinc/25/58/83/310255883.db2.gz MSBYHFVWGWJFAC-NCYKPQTJSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453070160 310255884 /nfs/dbraw/zinc/25/58/84/310255884.db2.gz MSBYHFVWGWJFAC-NCYKPQTJSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453070160 310255885 /nfs/dbraw/zinc/25/58/85/310255885.db2.gz MSBYHFVWGWJFAC-NCYKPQTJSA-N 2 1 327.516 3.113 20 0 EGADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453070160 310255886 /nfs/dbraw/zinc/25/58/86/310255886.db2.gz MSBYHFVWGWJFAC-NCYKPQTJSA-N 2 1 327.516 3.113 20 0 EGADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453070160 310255887 /nfs/dbraw/zinc/25/58/87/310255887.db2.gz MSBYHFVWGWJFAC-NCYKPQTJSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H](CCCc1cccnc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000453105561 310258089 /nfs/dbraw/zinc/25/80/89/310258089.db2.gz WZIDPRKLDQSECA-SFHVURJKSA-N 2 1 331.504 3.027 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000453200041 310263817 /nfs/dbraw/zinc/26/38/17/310263817.db2.gz ULXNDOOXKQSYCL-RTWAWAEBSA-N 2 1 328.500 3.312 20 0 EGADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453237313 310265912 /nfs/dbraw/zinc/26/59/12/310265912.db2.gz VDICGSLMNIHQIK-BURNTYAHSA-N 2 1 330.516 3.284 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2(O)CCCC2)[C@H](C)C1 ZINC000453372648 310273568 /nfs/dbraw/zinc/27/35/68/310273568.db2.gz GQTFGJJMVGGZIX-MSOLQXFVSA-N 2 1 340.552 3.044 20 0 EGADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455947567 310383131 /nfs/dbraw/zinc/38/31/31/310383131.db2.gz XKNWFCWENMOTEV-KXBFYZLASA-N 2 1 344.503 3.041 20 0 EGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455947565 310383137 /nfs/dbraw/zinc/38/31/37/310383137.db2.gz XKNWFCWENMOTEV-DNVCBOLYSA-N 2 1 344.503 3.041 20 0 EGADMP C[C@@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000456266445 310395700 /nfs/dbraw/zinc/39/57/00/310395700.db2.gz IFXXDMSMRZPINA-YGTYGHESSA-N 2 1 329.488 3.435 20 0 EGADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)NC(=O)OC(C)(C)C ZINC000492439220 311250793 /nfs/dbraw/zinc/25/07/93/311250793.db2.gz VNALULDCYQQRQZ-PMPSAXMXSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000492769104 311289040 /nfs/dbraw/zinc/28/90/40/311289040.db2.gz LZFLGOZDOZZTPK-RDJZCZTQSA-N 2 1 337.508 3.016 20 0 EGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000504424796 312006091 /nfs/dbraw/zinc/00/60/91/312006091.db2.gz SWOWQGKDAHLYEE-WIYYLYMNSA-N 2 1 343.559 3.142 20 0 EGADMP C[C@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+]1CCCCCC1 ZINC000510419246 312140239 /nfs/dbraw/zinc/14/02/39/312140239.db2.gz FFZCVUADFMCJMW-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP Cc1cnn(C)c1C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512046033 312174264 /nfs/dbraw/zinc/17/42/64/312174264.db2.gz PUMAUMPPLSVNCB-MJGOQNOKSA-N 2 1 326.488 3.119 20 0 EGADMP C[N@@H+](C[C@@H](O)CNCc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000516276617 312318667 /nfs/dbraw/zinc/31/86/67/312318667.db2.gz GRFVHOOCFZCKSH-SFHVURJKSA-N 2 1 326.440 3.024 20 0 EGADMP CN(C[C@@H](O)C[NH2+]Cc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000516276617 312318670 /nfs/dbraw/zinc/31/86/70/312318670.db2.gz GRFVHOOCFZCKSH-SFHVURJKSA-N 2 1 326.440 3.024 20 0 EGADMP CC(C)=CCC[C@@H](C)CC[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000516919446 312350391 /nfs/dbraw/zinc/35/03/91/312350391.db2.gz JYAIXXKGVUHCNO-LJQANCHMSA-N 2 1 349.563 3.245 20 0 EGADMP COCc1nc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(-c2ccccc2)s1 ZINC000520838147 312522786 /nfs/dbraw/zinc/52/27/86/312522786.db2.gz RHGHKPUDTBFHAK-CABCVRRESA-N 2 1 331.485 3.316 20 0 EGADMP CC(C)[C@H]1C[N@@H+](CCCn2ccnc2)CCN1Cc1ccccc1 ZINC000528640465 313135156 /nfs/dbraw/zinc/13/51/56/313135156.db2.gz OWMBQOXMTPCXBD-HXUWFJFHSA-N 2 1 326.488 3.116 20 0 EGADMP CC(C)[C@H]1CN(CCCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000528640465 313135158 /nfs/dbraw/zinc/13/51/58/313135158.db2.gz OWMBQOXMTPCXBD-HXUWFJFHSA-N 2 1 326.488 3.116 20 0 EGADMP C[N@@H+](CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)Cc1ccccc1 ZINC000536308741 314106025 /nfs/dbraw/zinc/10/60/25/314106025.db2.gz OWNLHFMVDUNMCN-ZCNNSNEGSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)c2)C[C@@H](C)O1 ZINC000538589297 314256242 /nfs/dbraw/zinc/25/62/42/314256242.db2.gz IUUUKNPZRBSEPL-NAIAOIPJSA-N 2 1 345.531 3.436 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H](Nc2ccc3c(c2)[nH+]cn3C)[C@H](C)C1 ZINC000538640948 314259770 /nfs/dbraw/zinc/25/97/70/314259770.db2.gz VOPOWZNGMXKVGQ-NVXWUHKLSA-N 2 1 330.476 3.122 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H](Nc2ccc3c(c2)[nH+]cn3C)[C@H](C)C1 ZINC000538640948 314259773 /nfs/dbraw/zinc/25/97/73/314259773.db2.gz VOPOWZNGMXKVGQ-NVXWUHKLSA-N 2 1 330.476 3.122 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000539041497 314291708 /nfs/dbraw/zinc/29/17/08/314291708.db2.gz LHLBLNDGZWIESO-RMVXJAJNSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000539041497 314291710 /nfs/dbraw/zinc/29/17/10/314291710.db2.gz LHLBLNDGZWIESO-RMVXJAJNSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000539041497 314291712 /nfs/dbraw/zinc/29/17/12/314291712.db2.gz LHLBLNDGZWIESO-RMVXJAJNSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCN(C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000539041497 314291713 /nfs/dbraw/zinc/29/17/13/314291713.db2.gz LHLBLNDGZWIESO-RMVXJAJNSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCN(C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000539041497 314291715 /nfs/dbraw/zinc/29/17/15/314291715.db2.gz LHLBLNDGZWIESO-RMVXJAJNSA-N 2 1 329.532 3.359 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCCN2CCCC2=O)CC1)CC(C)C ZINC000540198118 314369873 /nfs/dbraw/zinc/36/98/73/314369873.db2.gz DCMRVEGJGYMWDE-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000548792387 315047817 /nfs/dbraw/zinc/04/78/17/315047817.db2.gz ZOPWOKZZXCIVLG-ZDUSSCGKSA-N 2 1 328.403 3.117 20 0 EGADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000548792387 315047821 /nfs/dbraw/zinc/04/78/21/315047821.db2.gz ZOPWOKZZXCIVLG-ZDUSSCGKSA-N 2 1 328.403 3.117 20 0 EGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCC12CCOCC2)c1ccccc1 ZINC000548794055 315048537 /nfs/dbraw/zinc/04/85/37/315048537.db2.gz SMEXQSOGNYQHFF-PMACEKPBSA-N 2 1 346.515 3.245 20 0 EGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCC12CCOCC2)c1ccccc1 ZINC000548794055 315048539 /nfs/dbraw/zinc/04/85/39/315048539.db2.gz SMEXQSOGNYQHFF-PMACEKPBSA-N 2 1 346.515 3.245 20 0 EGADMP Cc1sccc1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000549734149 315102916 /nfs/dbraw/zinc/10/29/16/315102916.db2.gz UEHLMAZZBMPKSA-LJQANCHMSA-N 2 1 329.513 3.135 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](CC)Cc1ccc(OC)c(OC)c1 ZINC000552099463 315197645 /nfs/dbraw/zinc/19/76/45/315197645.db2.gz JSMDWHZJMHSMJK-MSOLQXFVSA-N 2 1 334.504 3.489 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](CC)Cc1ccc(OC)c(OC)c1 ZINC000552099463 315197648 /nfs/dbraw/zinc/19/76/48/315197648.db2.gz JSMDWHZJMHSMJK-MSOLQXFVSA-N 2 1 334.504 3.489 20 0 EGADMP CC(C)[NH2+]CCC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000553976370 315291852 /nfs/dbraw/zinc/29/18/52/315291852.db2.gz AFVGZZWQKJAKBR-QGZVFWFLSA-N 2 1 331.504 3.065 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000554388161 315315019 /nfs/dbraw/zinc/31/50/19/315315019.db2.gz FBTJBZGBRPRVRR-MJUUVYJYSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000554388161 315315021 /nfs/dbraw/zinc/31/50/21/315315021.db2.gz FBTJBZGBRPRVRR-MJUUVYJYSA-N 2 1 330.516 3.428 20 0 EGADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)[C@H](c2ccccc2)C1 ZINC000554724536 315345606 /nfs/dbraw/zinc/34/56/06/315345606.db2.gz JRIBBDRSWXYIJA-BQJUDKOJSA-N 2 1 327.516 3.143 20 0 EGADMP CC[C@@H]1CO[C@H](C)C[NH+]1CCCCC[N@@H+]1C[C@H](C)OC[C@H]1CC ZINC000555022873 315362320 /nfs/dbraw/zinc/36/23/20/315362320.db2.gz RQEGLBIEZIIEIT-FCGDIQPGSA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@@H]1CO[C@@H](C)C[NH+]1CCCCC[N@@H+]1C[C@@H](C)OC[C@H]1CC ZINC000555022873 315362322 /nfs/dbraw/zinc/36/23/22/315362322.db2.gz RQEGLBIEZIIEIT-FCGDIQPGSA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@@H]1CO[C@@H](C)C[NH+]1CCCCC[N@H+]1C[C@@H](C)OC[C@H]1CC ZINC000555022873 315362326 /nfs/dbraw/zinc/36/23/26/315362326.db2.gz RQEGLBIEZIIEIT-FCGDIQPGSA-N 2 1 326.525 3.155 20 0 EGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)CC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000555559128 315390486 /nfs/dbraw/zinc/39/04/86/315390486.db2.gz IBIMULJZFLPTLB-MSOLQXFVSA-N 2 1 345.531 3.497 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000563354294 316004989 /nfs/dbraw/zinc/00/49/89/316004989.db2.gz QOFHPYICEPOAPW-HKUYNNGSSA-N 2 1 331.435 3.344 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000563354294 316004990 /nfs/dbraw/zinc/00/49/90/316004990.db2.gz QOFHPYICEPOAPW-HKUYNNGSSA-N 2 1 331.435 3.344 20 0 EGADMP CC(C)OCC[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000563806140 316072192 /nfs/dbraw/zinc/07/21/92/316072192.db2.gz OMSCQQXCMWSXPQ-NQIIRXRSSA-N 2 1 348.531 3.184 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c2ccccc21 ZINC000564074336 316109514 /nfs/dbraw/zinc/10/95/14/316109514.db2.gz WYUJXGHMOWITNU-LZQZEXGQSA-N 2 1 336.439 3.027 20 0 EGADMP C[NH+](C)Cc1ccccc1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000564586901 316171506 /nfs/dbraw/zinc/17/15/06/316171506.db2.gz ZAMUOKXTDNDIOZ-IBGZPJMESA-N 2 1 337.467 3.209 20 0 EGADMP CC(C)O[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@@H](OC(C)C)C2)C1 ZINC000564915233 316232524 /nfs/dbraw/zinc/23/25/24/316232524.db2.gz FMFFHRCJBBDLFX-RTBURBONSA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000564922490 316233046 /nfs/dbraw/zinc/23/30/46/316233046.db2.gz RBIHKTKAYJSRPF-HKUYNNGSSA-N 2 1 345.531 3.483 20 0 EGADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000571164568 317160175 /nfs/dbraw/zinc/16/01/75/317160175.db2.gz NOADXJQUYUGRAC-FQEVSTJZSA-N 2 1 335.451 3.283 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(F)c3C)CC2)CC1 ZINC000571296522 317180443 /nfs/dbraw/zinc/18/04/43/317180443.db2.gz RVBQICOZXGBGLP-UHFFFAOYSA-N 2 1 347.478 3.269 20 0 EGADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000381966296 324248994 /nfs/dbraw/zinc/24/89/94/324248994.db2.gz IOBLMYGEPQDSRP-OAHLLOKOSA-N 2 1 327.513 3.144 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH+]1CCCC1 ZINC000390860270 324285526 /nfs/dbraw/zinc/28/55/26/324285526.db2.gz FAHRHBJPBAPVNQ-FQEVSTJZSA-N 2 1 329.532 3.363 20 0 EGADMP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000390860270 324285529 /nfs/dbraw/zinc/28/55/29/324285529.db2.gz FAHRHBJPBAPVNQ-FQEVSTJZSA-N 2 1 329.532 3.363 20 0 EGADMP [NH3+]CCC1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000579240090 325082689 /nfs/dbraw/zinc/08/26/89/325082689.db2.gz AIYFHQPXOXTPBB-UHFFFAOYSA-N 2 1 329.513 3.489 20 0 EGADMP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000579335088 325096436 /nfs/dbraw/zinc/09/64/36/325096436.db2.gz HMNIBTNWRXFXJM-SJORKVTESA-N 2 1 335.879 3.275 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000579335088 325096437 /nfs/dbraw/zinc/09/64/37/325096437.db2.gz HMNIBTNWRXFXJM-SJORKVTESA-N 2 1 335.879 3.275 20 0 EGADMP Clc1cccc(-c2noc(CC[NH2+]C3CC[NH+](C4CC4)CC3)n2)c1 ZINC000581117343 325331782 /nfs/dbraw/zinc/33/17/82/325331782.db2.gz HYJRUISFXINOEM-UHFFFAOYSA-N 2 1 346.862 3.149 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH2+]CCSCc1cccc2ccccc21)C1CC1 ZINC000581721107 325385840 /nfs/dbraw/zinc/38/58/40/325385840.db2.gz FYTNCNXEHABHHW-IBGZPJMESA-N 2 1 344.524 3.118 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH2+]CCSCc1cccc2ccccc21)C1CC1 ZINC000581721107 325385842 /nfs/dbraw/zinc/38/58/42/325385842.db2.gz FYTNCNXEHABHHW-IBGZPJMESA-N 2 1 344.524 3.118 20 0 EGADMP CC(C)c1[nH+]c(CNC2CC[NH+](CC3CC3)CC2)c2ccccn21 ZINC000582185688 325421103 /nfs/dbraw/zinc/42/11/03/325421103.db2.gz WCZOZDPJXMMRML-UHFFFAOYSA-N 2 1 326.488 3.422 20 0 EGADMP CCC(CC)(C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000424329968 458617673 /nfs/dbraw/zinc/61/76/73/458617673.db2.gz REEQAQQEJHAQGK-ARFHVFGLSA-N 2 1 326.525 3.453 20 0 EGADMP COc1cccc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000189949594 455259887 /nfs/dbraw/zinc/25/98/87/455259887.db2.gz RMFMDJJJBLQPRU-IRXDYDNUSA-N 2 1 339.483 3.336 20 0 EGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000183306554 455275832 /nfs/dbraw/zinc/27/58/32/455275832.db2.gz QYDRBZKYUNSKFR-CQSZACIVSA-N 2 1 348.487 3.198 20 0 EGADMP [NH3+]Cc1cn([C@H]2CC[N@@H+](Cc3sc4ccccc4c3Cl)C2)nn1 ZINC000631847509 460578678 /nfs/dbraw/zinc/57/86/78/460578678.db2.gz WEHSRMDISMEDAW-LBPRGKRZSA-N 2 1 347.875 3.052 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC(C)(C)CC)CC1 ZINC000066960705 453889954 /nfs/dbraw/zinc/88/99/54/453889954.db2.gz NMPZNRMREKHPFN-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccncc3Cl)CC2)C[C@H](C)O1 ZINC000075684815 453918581 /nfs/dbraw/zinc/91/85/81/453918581.db2.gz AVWNOAULXUIJNF-GJZGRUSLSA-N 2 1 337.895 3.056 20 0 EGADMP C[N@H+](C[C@H](O)c1ccccc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110009 453965087 /nfs/dbraw/zinc/96/50/87/453965087.db2.gz RXORDKFMAWEQNX-NQIIRXRSSA-N 2 1 342.458 3.313 20 0 EGADMP C[N@@H+](C[C@H](O)c1ccccc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110009 453965089 /nfs/dbraw/zinc/96/50/89/453965089.db2.gz RXORDKFMAWEQNX-NQIIRXRSSA-N 2 1 342.458 3.313 20 0 EGADMP C[NH+](C[C@H](O)c1ccccc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110009 453965092 /nfs/dbraw/zinc/96/50/92/453965092.db2.gz RXORDKFMAWEQNX-NQIIRXRSSA-N 2 1 342.458 3.313 20 0 EGADMP C[NH+](C[C@H](O)c1ccccc1F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110009 453965094 /nfs/dbraw/zinc/96/50/94/453965094.db2.gz RXORDKFMAWEQNX-NQIIRXRSSA-N 2 1 342.458 3.313 20 0 EGADMP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000068442150 454027506 /nfs/dbraw/zinc/02/75/06/454027506.db2.gz OZIQLBUVQPFMPC-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000190930592 455408145 /nfs/dbraw/zinc/40/81/45/455408145.db2.gz AKAANWCNLZMNQQ-UHFFFAOYSA-N 2 1 332.488 3.066 20 0 EGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000077249792 454082025 /nfs/dbraw/zinc/08/20/25/454082025.db2.gz XBVVDBYQHSFRGS-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000077249792 454082029 /nfs/dbraw/zinc/08/20/29/454082029.db2.gz XBVVDBYQHSFRGS-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000089513677 454158435 /nfs/dbraw/zinc/15/84/35/454158435.db2.gz GQPQIXKINPBXCB-KVSKMBFKSA-N 2 1 329.488 3.388 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000089513677 454158437 /nfs/dbraw/zinc/15/84/37/454158437.db2.gz GQPQIXKINPBXCB-KVSKMBFKSA-N 2 1 329.488 3.388 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000130366074 454192639 /nfs/dbraw/zinc/19/26/39/454192639.db2.gz USWPMROXXCTBSB-MRXNPFEDSA-N 2 1 328.460 3.157 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000130366074 454192644 /nfs/dbraw/zinc/19/26/44/454192644.db2.gz USWPMROXXCTBSB-MRXNPFEDSA-N 2 1 328.460 3.157 20 0 EGADMP Brc1ccc2[nH+]ccc(N3CC[C@H]([NH+]4CC=CC4)C3)c2c1 ZINC000266237819 455426109 /nfs/dbraw/zinc/42/61/09/455426109.db2.gz KUKSLAWDGYOLNV-AWEZNQCLSA-N 2 1 344.256 3.448 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+]Cc3ccc4nccnc4c3)CC2)cc1 ZINC000634951979 460627549 /nfs/dbraw/zinc/62/75/49/460627549.db2.gz MAQUQYQNERABAQ-UHFFFAOYSA-N 2 1 346.478 3.427 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000130805003 454218920 /nfs/dbraw/zinc/21/89/20/454218920.db2.gz WRHKQPCHFREDMW-QGZVFWFLSA-N 2 1 342.487 3.466 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000130805003 454218925 /nfs/dbraw/zinc/21/89/25/454218925.db2.gz WRHKQPCHFREDMW-QGZVFWFLSA-N 2 1 342.487 3.466 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+]C3CC[NH+](C(C)(C)C)CC3)c(C)n2n1 ZINC000119867450 454230508 /nfs/dbraw/zinc/23/05/08/454230508.db2.gz OGMLMDYOSLBNAK-AWEZNQCLSA-N 2 1 329.492 3.260 20 0 EGADMP C[N@H+](CCCO)C1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000090549513 454320348 /nfs/dbraw/zinc/32/03/48/454320348.db2.gz RPDHUPTWFQVWDC-UHFFFAOYSA-N 2 1 336.545 3.089 20 0 EGADMP C[N@@H+](CCCO)C1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000090549513 454320352 /nfs/dbraw/zinc/32/03/52/454320352.db2.gz RPDHUPTWFQVWDC-UHFFFAOYSA-N 2 1 336.545 3.089 20 0 EGADMP COc1cc2c(cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)O[C@@H](C)C2 ZINC000072713401 454332287 /nfs/dbraw/zinc/33/22/87/454332287.db2.gz OATCAJQTGRNRNF-ZDUSSCGKSA-N 2 1 332.488 3.417 20 0 EGADMP COc1ccc(C[C@H](C)C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000090936621 454351972 /nfs/dbraw/zinc/35/19/72/454351972.db2.gz CIDGISHJSOOYEI-LHHMISFZSA-N 2 1 334.504 3.201 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000132615083 454352204 /nfs/dbraw/zinc/35/22/04/454352204.db2.gz RLAUCVCCXMIKGR-SFHVURJKSA-N 2 1 345.531 3.278 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000062426965 454376472 /nfs/dbraw/zinc/37/64/72/454376472.db2.gz DGBZSKYIJPYHOK-IBGZPJMESA-N 2 1 339.483 3.481 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000062426981 454376508 /nfs/dbraw/zinc/37/65/08/454376508.db2.gz NURIVTKAGJJONW-INIZCTEOSA-N 2 1 346.906 3.405 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000062426981 454376514 /nfs/dbraw/zinc/37/65/14/454376514.db2.gz NURIVTKAGJJONW-INIZCTEOSA-N 2 1 346.906 3.405 20 0 EGADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000047978612 454428400 /nfs/dbraw/zinc/42/84/00/454428400.db2.gz KSDMCDYULJORJF-UHFFFAOYSA-N 2 1 335.467 3.126 20 0 EGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000048076510 454440636 /nfs/dbraw/zinc/44/06/36/454440636.db2.gz NKMZYWLJGHVWEG-UHFFFAOYSA-N 2 1 346.519 3.332 20 0 EGADMP C[N@@H+](CCOCC[NH3+])Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000629581204 460812630 /nfs/dbraw/zinc/81/26/30/460812630.db2.gz RMFNDDVTELIEKW-UHFFFAOYSA-N 2 1 344.299 3.131 20 0 EGADMP CCC[C@@H](C)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000079863766 454491818 /nfs/dbraw/zinc/49/18/18/454491818.db2.gz KUJDGCLPTNPFQC-QGZVFWFLSA-N 2 1 331.504 3.019 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073947354 454505263 /nfs/dbraw/zinc/50/52/63/454505263.db2.gz LKXRNPOZMUMXEQ-BEFAXECRSA-N 2 1 338.455 3.237 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000074227596 454547075 /nfs/dbraw/zinc/54/70/75/454547075.db2.gz IENHFLYVIBROSJ-IAGOWNOFSA-N 2 1 348.535 3.269 20 0 EGADMP C[C@H]1C[C@H](Nc2cc[nH+]c(N(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000080230903 454552430 /nfs/dbraw/zinc/55/24/30/454552430.db2.gz BVNCOHYABLVIOU-DOTOQJQBSA-N 2 1 325.460 3.008 20 0 EGADMP C[C@H]1C[C@H](Nc2cc[nH+]c(N(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000080230903 454552434 /nfs/dbraw/zinc/55/24/34/454552434.db2.gz BVNCOHYABLVIOU-DOTOQJQBSA-N 2 1 325.460 3.008 20 0 EGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3c(F)cccc3F)CC2)C[C@@H](C)O1 ZINC000092587561 454591390 /nfs/dbraw/zinc/59/13/90/454591390.db2.gz LOMUGRQMOHKVLW-HUUCEWRRSA-N 2 1 338.442 3.286 20 0 EGADMP Cc1noc(C)c1C[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC000050931519 454601739 /nfs/dbraw/zinc/60/17/39/454601739.db2.gz FSUHSFQIGMUEBP-UHFFFAOYSA-N 2 1 336.439 3.470 20 0 EGADMP CCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000123345063 454628272 /nfs/dbraw/zinc/62/82/72/454628272.db2.gz NNZZVLPWULTDSF-DLBZAZTESA-N 2 1 331.504 3.065 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000123436122 454636586 /nfs/dbraw/zinc/63/65/86/454636586.db2.gz HTEJUEFSOUIAGU-NJAFHUGGSA-N 2 1 347.503 3.182 20 0 EGADMP CN(C)C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000635002859 460646627 /nfs/dbraw/zinc/64/66/27/460646627.db2.gz ALXWWWZBKLKDQZ-JYJNAYRXSA-N 2 1 329.410 3.168 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2cccc(C)c2)CC1 ZINC000052209229 454660821 /nfs/dbraw/zinc/66/08/21/454660821.db2.gz SHFTYGUDNLJCCO-HXUWFJFHSA-N 2 1 348.531 3.179 20 0 EGADMP Cc1cccnc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000093187958 454690629 /nfs/dbraw/zinc/69/06/29/454690629.db2.gz FGVDFOZRSIEKGR-HDICACEKSA-N 2 1 331.504 3.101 20 0 EGADMP CCc1ncc(C[NH+]2CCC(CCC[N@@H+](C)CCOC)CC2)s1 ZINC000093769388 454734947 /nfs/dbraw/zinc/73/49/47/454734947.db2.gz GDYYHDDIBPRYCA-UHFFFAOYSA-N 2 1 339.549 3.276 20 0 EGADMP CCCc1cc(NC[C@H](C)N2CC[NH+](C)CC2)c2ccccc2[nH+]1 ZINC000124501073 454741869 /nfs/dbraw/zinc/74/18/69/454741869.db2.gz MLVPPQJHNDSNLQ-INIZCTEOSA-N 2 1 326.488 3.235 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009442 460651929 /nfs/dbraw/zinc/65/19/29/460651929.db2.gz GZIGEFSVTXNXPZ-YZGWKJHDSA-N 2 1 329.532 3.265 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009442 460651933 /nfs/dbraw/zinc/65/19/33/460651933.db2.gz GZIGEFSVTXNXPZ-YZGWKJHDSA-N 2 1 329.532 3.265 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010455 460653954 /nfs/dbraw/zinc/65/39/54/460653954.db2.gz LSNZCLGSRVBDMM-FDDCHVKYSA-N 3 1 349.522 3.333 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010455 460653963 /nfs/dbraw/zinc/65/39/63/460653963.db2.gz LSNZCLGSRVBDMM-FDDCHVKYSA-N 2 1 349.522 3.333 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000162647059 454790556 /nfs/dbraw/zinc/79/05/56/454790556.db2.gz DVHNCKXPKDNTRC-LZJOCLMNSA-N 2 1 346.515 3.201 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000125178983 454801839 /nfs/dbraw/zinc/80/18/39/454801839.db2.gz DSTBYTDLJGTIQZ-HBMCJLEFSA-N 2 1 340.511 3.241 20 0 EGADMP Cc1ccc2c(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc(=O)oc2c1 ZINC000140003428 454814944 /nfs/dbraw/zinc/81/49/44/454814944.db2.gz PTTPOKGWPWICQX-CRAIPNDOSA-N 2 1 326.440 3.018 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc(=O)oc2c1 ZINC000140003428 454814948 /nfs/dbraw/zinc/81/49/48/454814948.db2.gz PTTPOKGWPWICQX-CRAIPNDOSA-N 2 1 326.440 3.018 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc(=O)oc2c1 ZINC000140003428 454814950 /nfs/dbraw/zinc/81/49/50/454814950.db2.gz PTTPOKGWPWICQX-CRAIPNDOSA-N 2 1 326.440 3.018 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc(=O)oc2c1 ZINC000140003428 454814954 /nfs/dbraw/zinc/81/49/54/454814954.db2.gz PTTPOKGWPWICQX-CRAIPNDOSA-N 2 1 326.440 3.018 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc(=O)oc2c1 ZINC000140003428 454814955 /nfs/dbraw/zinc/81/49/55/454814955.db2.gz PTTPOKGWPWICQX-CRAIPNDOSA-N 2 1 326.440 3.018 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000125735848 454842937 /nfs/dbraw/zinc/84/29/37/454842937.db2.gz SOBIBVVFGMZKDZ-OALUTQOASA-N 3 1 347.547 3.398 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000125735848 454842941 /nfs/dbraw/zinc/84/29/41/454842941.db2.gz SOBIBVVFGMZKDZ-OALUTQOASA-N 2 1 347.547 3.398 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000125735848 454842946 /nfs/dbraw/zinc/84/29/46/454842946.db2.gz SOBIBVVFGMZKDZ-OALUTQOASA-N 2 1 347.547 3.398 20 0 EGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000635012596 460655961 /nfs/dbraw/zinc/65/59/61/460655961.db2.gz WYMLKDUTNBCPAI-VGSWGCGISA-N 3 1 341.543 3.465 20 0 EGADMP CC[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1CC1 ZINC000163971617 454871175 /nfs/dbraw/zinc/87/11/75/454871175.db2.gz AIJOMONGKDYBGK-OAQYLSRUSA-N 2 1 346.515 3.454 20 0 EGADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cnn1C(C)C ZINC000191383553 455481987 /nfs/dbraw/zinc/48/19/87/455481987.db2.gz NSSVGFAWKNQNLV-BEVDRBHNSA-N 2 1 348.535 3.191 20 0 EGADMP CN(CC[N@@H+](C)CCCc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000126483112 454897417 /nfs/dbraw/zinc/89/74/17/454897417.db2.gz ZZYPKYFUIFIVSI-UHFFFAOYSA-N 2 1 337.939 3.230 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)CC[N@H+]1C ZINC000177917694 454919646 /nfs/dbraw/zinc/91/96/46/454919646.db2.gz SPJLEVANDMGAON-CRAIPNDOSA-N 2 1 336.907 3.461 20 0 EGADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114469813 454954982 /nfs/dbraw/zinc/95/49/82/454954982.db2.gz CGGYQRVFRWHDGG-NRFANRHFSA-N 2 1 345.531 3.305 20 0 EGADMP C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(Br)s1 ZINC000151359754 454974808 /nfs/dbraw/zinc/97/48/08/454974808.db2.gz UVWOKAXWQGAKDW-NSHDSACASA-N 2 1 347.322 3.008 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Br)s1 ZINC000151359754 454974811 /nfs/dbraw/zinc/97/48/11/454974811.db2.gz UVWOKAXWQGAKDW-NSHDSACASA-N 2 1 347.322 3.008 20 0 EGADMP FC(F)(F)c1ccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000178954816 454993524 /nfs/dbraw/zinc/99/35/24/454993524.db2.gz LFPCPGLUSRQGMD-HUUCEWRRSA-N 2 1 328.378 3.301 20 0 EGADMP C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC1CC[NH2+]CC1 ZINC000178962421 454993649 /nfs/dbraw/zinc/99/36/49/454993649.db2.gz MHPJEXZGUZFOIC-UHFFFAOYSA-N 2 1 330.451 3.080 20 0 EGADMP C[N@H+](CCCO)C1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000115520017 455018519 /nfs/dbraw/zinc/01/85/19/455018519.db2.gz ZDCYBAIZPSTZBO-UHFFFAOYSA-N 2 1 333.863 3.171 20 0 EGADMP C[N@@H+](CCCO)C1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000115520017 455018521 /nfs/dbraw/zinc/01/85/21/455018521.db2.gz ZDCYBAIZPSTZBO-UHFFFAOYSA-N 2 1 333.863 3.171 20 0 EGADMP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128252523 455039733 /nfs/dbraw/zinc/03/97/33/455039733.db2.gz GJIFKCNSCDBAIC-JXFKEZNVSA-N 2 1 333.495 3.066 20 0 EGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc2c(s1)CCCC2 ZINC000128354458 455048338 /nfs/dbraw/zinc/04/83/38/455048338.db2.gz CJFWFHRPXKXZGJ-INIZCTEOSA-N 2 1 335.561 3.305 20 0 EGADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)s1 ZINC000128618051 455072583 /nfs/dbraw/zinc/07/25/83/455072583.db2.gz FRNZQFLSNDPTCF-CQSZACIVSA-N 2 1 329.941 3.470 20 0 EGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000623655818 460662241 /nfs/dbraw/zinc/66/22/41/460662241.db2.gz GDUPZOYVGAYKEQ-OAHLLOKOSA-N 2 1 332.879 3.347 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000623655818 460662245 /nfs/dbraw/zinc/66/22/45/460662245.db2.gz GDUPZOYVGAYKEQ-OAHLLOKOSA-N 2 1 332.879 3.347 20 0 EGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000623655858 460663170 /nfs/dbraw/zinc/66/31/70/460663170.db2.gz HPXMKZOZRGYLFE-SFHVURJKSA-N 2 1 339.483 3.482 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000623655858 460663172 /nfs/dbraw/zinc/66/31/72/460663172.db2.gz HPXMKZOZRGYLFE-SFHVURJKSA-N 2 1 339.483 3.482 20 0 EGADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000152463157 455123229 /nfs/dbraw/zinc/12/32/29/455123229.db2.gz XTRSMQIELDKZDK-CHWSQXEVSA-N 2 1 338.879 3.492 20 0 EGADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000152463157 455123232 /nfs/dbraw/zinc/12/32/32/455123232.db2.gz XTRSMQIELDKZDK-CHWSQXEVSA-N 2 1 338.879 3.492 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2OC)[C@H](C)C1 ZINC000156949208 455158539 /nfs/dbraw/zinc/15/85/39/455158539.db2.gz PANYCWBUDIPUEX-ZIFCJYIRSA-N 2 1 334.504 3.483 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2OC)[C@H](C)C1 ZINC000156949208 455158540 /nfs/dbraw/zinc/15/85/40/455158540.db2.gz PANYCWBUDIPUEX-ZIFCJYIRSA-N 2 1 334.504 3.483 20 0 EGADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000157013839 455161570 /nfs/dbraw/zinc/16/15/70/455161570.db2.gz MBRIFZFGNLDZGO-RXVVDRJESA-N 3 1 329.532 3.348 20 0 EGADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCN(C)C[C@@H]2C)CC1 ZINC000157013839 455161572 /nfs/dbraw/zinc/16/15/72/455161572.db2.gz MBRIFZFGNLDZGO-RXVVDRJESA-N 2 1 329.532 3.348 20 0 EGADMP CSCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000237331945 455174588 /nfs/dbraw/zinc/17/45/88/455174588.db2.gz MVENRRFLNLEQHO-YOEHRIQHSA-N 2 1 335.517 3.080 20 0 EGADMP COCCCOc1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000264380608 455201637 /nfs/dbraw/zinc/20/16/37/455201637.db2.gz OFHXLDITXDTTGJ-MRXNPFEDSA-N 2 1 331.460 3.033 20 0 EGADMP CC(C)OC1CC([NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000189515467 455212172 /nfs/dbraw/zinc/21/21/72/455212172.db2.gz UEQVXSPVXWXSMQ-AGXSTUJCSA-N 2 1 346.515 3.341 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000180646103 455216917 /nfs/dbraw/zinc/21/69/17/455216917.db2.gz ZCMWHGPXSBRKMO-RBBKRZOGSA-N 2 1 336.479 3.420 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000245472730 455309355 /nfs/dbraw/zinc/30/93/55/455309355.db2.gz ZLKFIQDPUJCJKX-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)N1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1=O ZINC000245477589 455310286 /nfs/dbraw/zinc/31/02/86/455310286.db2.gz UMZRCUQXOXPFLX-XLIONFOSSA-N 2 1 343.515 3.017 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccccc3C(C)(C)C)CC[C@@H]21 ZINC000158673212 455320341 /nfs/dbraw/zinc/32/03/41/455320341.db2.gz ILTVSAPKTWCXGL-APWZRJJASA-N 2 1 343.515 3.339 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC[C@@H]21 ZINC000158798317 455330188 /nfs/dbraw/zinc/33/01/88/455330188.db2.gz ZYUKFANLFNWBFQ-ZBFHGGJFSA-N 2 1 346.862 3.306 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)c1ccsc1 ZINC000245928474 455401757 /nfs/dbraw/zinc/40/17/57/455401757.db2.gz XIAQPSJFCCSVGC-DLBZAZTESA-N 2 1 337.533 3.122 20 0 EGADMP C[N@H+]1CCC[C@H]2CN(Cc3ccn(-c4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000184623459 455415431 /nfs/dbraw/zinc/41/54/31/455415431.db2.gz GRDAGRYEHNFLKA-KXBFYZLASA-N 2 1 344.890 3.442 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1sccc1Br ZINC000185032399 455489224 /nfs/dbraw/zinc/48/92/24/455489224.db2.gz HAQCJUZPMJOYOM-SNVBAGLBSA-N 2 1 328.279 3.441 20 0 EGADMP COc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000182261359 455474238 /nfs/dbraw/zinc/47/42/38/455474238.db2.gz HSBLBLUTRUDSLM-UZLBHIALSA-N 2 1 340.467 3.113 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246939947 455537197 /nfs/dbraw/zinc/53/71/97/455537197.db2.gz UBPDCDMFMODMJV-PNYFIKQUSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246939947 455537199 /nfs/dbraw/zinc/53/71/99/455537199.db2.gz UBPDCDMFMODMJV-PNYFIKQUSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246939947 455537203 /nfs/dbraw/zinc/53/72/03/455537203.db2.gz UBPDCDMFMODMJV-PNYFIKQUSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246939947 455537205 /nfs/dbraw/zinc/53/72/05/455537205.db2.gz UBPDCDMFMODMJV-PNYFIKQUSA-N 2 1 347.547 3.115 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(Cl)c(F)c3)CC[C@@H]21 ZINC000192075759 455554103 /nfs/dbraw/zinc/55/41/03/455554103.db2.gz NHUPSOLBPKJTOE-DYVFJYSZSA-N 2 1 326.843 3.274 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccc(Cl)c(F)c3)CC[C@@H]21 ZINC000192075759 455554106 /nfs/dbraw/zinc/55/41/06/455554106.db2.gz NHUPSOLBPKJTOE-DYVFJYSZSA-N 2 1 326.843 3.274 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccc(Cl)c(F)c3)CC[C@@H]21 ZINC000192075759 455554111 /nfs/dbraw/zinc/55/41/11/455554111.db2.gz NHUPSOLBPKJTOE-DYVFJYSZSA-N 2 1 326.843 3.274 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247171693 455569361 /nfs/dbraw/zinc/56/93/61/455569361.db2.gz SQNICUDMNUPLPK-HKUYNNGSSA-N 2 1 334.504 3.230 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247171693 455569366 /nfs/dbraw/zinc/56/93/66/455569366.db2.gz SQNICUDMNUPLPK-HKUYNNGSSA-N 2 1 334.504 3.230 20 0 EGADMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000182758643 455581887 /nfs/dbraw/zinc/58/18/87/455581887.db2.gz VMHPHYVRPNJYQN-IBGZPJMESA-N 2 1 349.494 3.186 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000185642698 455588913 /nfs/dbraw/zinc/58/89/13/455588913.db2.gz DRBYJEUEGZUVEO-LBPRGKRZSA-N 2 1 332.414 3.199 20 0 EGADMP Cc1ccc(C)c(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185664883 455591633 /nfs/dbraw/zinc/59/16/33/455591633.db2.gz FFGYMMBYYQNONN-MSOLQXFVSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1ccc(C)c(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185664883 455591636 /nfs/dbraw/zinc/59/16/36/455591636.db2.gz FFGYMMBYYQNONN-MSOLQXFVSA-N 2 1 343.515 3.485 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185707955 455602304 /nfs/dbraw/zinc/60/23/04/455602304.db2.gz RBAUPSUDRVXVGB-OWCLPIDISA-N 2 1 347.478 3.395 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185707955 455602308 /nfs/dbraw/zinc/60/23/08/455602308.db2.gz RBAUPSUDRVXVGB-OWCLPIDISA-N 2 1 347.478 3.395 20 0 EGADMP C[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185718832 455605055 /nfs/dbraw/zinc/60/50/55/455605055.db2.gz SQWKOIAQCQWRQY-LSDHHAIUSA-N 2 1 333.451 3.007 20 0 EGADMP C[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185718832 455605061 /nfs/dbraw/zinc/60/50/61/455605061.db2.gz SQWKOIAQCQWRQY-LSDHHAIUSA-N 2 1 333.451 3.007 20 0 EGADMP CC(C)[NH+](CCN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000247883393 455651725 /nfs/dbraw/zinc/65/17/25/455651725.db2.gz CFBNTYZHCZJEJR-UYAOXDASSA-N 2 1 332.536 3.000 20 0 EGADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000247887071 455652077 /nfs/dbraw/zinc/65/20/77/455652077.db2.gz DIIHIFWHUXNZAT-RXVVDRJESA-N 3 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCN(C)[C@@H](C)C3)cc2)CC1 ZINC000247887071 455652080 /nfs/dbraw/zinc/65/20/80/455652080.db2.gz DIIHIFWHUXNZAT-RXVVDRJESA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccc(CN[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000247887071 455652085 /nfs/dbraw/zinc/65/20/85/455652085.db2.gz DIIHIFWHUXNZAT-RXVVDRJESA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccc(CN[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000247887071 455652086 /nfs/dbraw/zinc/65/20/86/455652086.db2.gz DIIHIFWHUXNZAT-RXVVDRJESA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000271539932 455677184 /nfs/dbraw/zinc/67/71/84/455677184.db2.gz UCRIMPLZMXNLGN-HKCMKHECSA-N 2 1 331.287 3.345 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248394276 455712758 /nfs/dbraw/zinc/71/27/58/455712758.db2.gz FMENDGNLYWUOOC-BZSNNMDCSA-N 2 1 335.536 3.020 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)[C@@H]1Oc1ccccc1 ZINC000186258142 455727577 /nfs/dbraw/zinc/72/75/77/455727577.db2.gz OMDWCYFAVBJCQY-AQNXPRMDSA-N 2 1 332.488 3.074 20 0 EGADMP C[C@@H](CCC1CC1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000186329662 455744825 /nfs/dbraw/zinc/74/48/25/455744825.db2.gz GZEMLRNYGKSKOE-JXFKEZNVSA-N 2 1 343.515 3.052 20 0 EGADMP Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000268990025 455755782 /nfs/dbraw/zinc/75/57/82/455755782.db2.gz MESHYLYKMDAFIH-KSSFIOAISA-N 2 1 325.412 3.466 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000269024954 455766355 /nfs/dbraw/zinc/76/63/55/455766355.db2.gz REBKNTLXHLPZRR-ZJSJBZJDSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269024954 455766358 /nfs/dbraw/zinc/76/63/58/455766358.db2.gz REBKNTLXHLPZRR-ZJSJBZJDSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269024954 455766363 /nfs/dbraw/zinc/76/63/63/455766363.db2.gz REBKNTLXHLPZRR-ZJSJBZJDSA-N 2 1 327.516 3.112 20 0 EGADMP COc1cc([C@H](C)NCC[C@H]2CCCC[N@H+]2C)cc(OC)c1OC ZINC000271837797 455781380 /nfs/dbraw/zinc/78/13/80/455781380.db2.gz XYUOENULIYOFEY-GOEBONIOSA-N 2 1 336.476 3.237 20 0 EGADMP COc1cc([C@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cc(OC)c1OC ZINC000271837797 455781385 /nfs/dbraw/zinc/78/13/85/455781385.db2.gz XYUOENULIYOFEY-GOEBONIOSA-N 2 1 336.476 3.237 20 0 EGADMP COc1ccc([C@@H]2CCC[N@H+]2CCCn2ccnc2C)c(OC)c1 ZINC000269136966 455797440 /nfs/dbraw/zinc/79/74/40/455797440.db2.gz SROQLZMDZAHEKJ-SFHVURJKSA-N 2 1 329.444 3.436 20 0 EGADMP COc1ccc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2C)c(OC)c1 ZINC000269136966 455797442 /nfs/dbraw/zinc/79/74/42/455797442.db2.gz SROQLZMDZAHEKJ-SFHVURJKSA-N 2 1 329.444 3.436 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CCN1C(=O)OC(C)(C)C ZINC000278293280 455808940 /nfs/dbraw/zinc/80/89/40/455808940.db2.gz BYMBDSXQMJPAIS-HOCLYGCPSA-N 2 1 348.491 3.025 20 0 EGADMP CCc1nnc([C@@H](C)[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000285323617 455823408 /nfs/dbraw/zinc/82/34/08/455823408.db2.gz TYAIXBRWWJYDPE-FAEJEUNOSA-N 2 1 341.503 3.461 20 0 EGADMP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252644169 455824538 /nfs/dbraw/zinc/82/45/38/455824538.db2.gz NMLUFYRJVKJCHT-SFHLNBCPSA-N 2 1 344.547 3.146 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCCC[NH+]1CCCC[C@H]1C ZINC000252644169 455824544 /nfs/dbraw/zinc/82/45/44/455824544.db2.gz NMLUFYRJVKJCHT-SFHLNBCPSA-N 2 1 344.547 3.146 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCCC[NH+]1CCCC[C@H]1C ZINC000252644169 455824547 /nfs/dbraw/zinc/82/45/47/455824547.db2.gz NMLUFYRJVKJCHT-SFHLNBCPSA-N 2 1 344.547 3.146 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NCCC[N@@H+]1CCCC[C@H]1C ZINC000252644169 455824553 /nfs/dbraw/zinc/82/45/53/455824553.db2.gz NMLUFYRJVKJCHT-SFHLNBCPSA-N 3 1 344.547 3.146 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NCCC[N@H+]1CCCC[C@H]1C ZINC000252644169 455824557 /nfs/dbraw/zinc/82/45/57/455824557.db2.gz NMLUFYRJVKJCHT-SFHLNBCPSA-N 3 1 344.547 3.146 20 0 EGADMP COC(=O)[C@H]1CC[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000285432834 455845704 /nfs/dbraw/zinc/84/57/04/455845704.db2.gz YQWZIFJUFIYSMY-LHQJTOJGSA-N 2 1 344.499 3.361 20 0 EGADMP OCc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000285749056 455908508 /nfs/dbraw/zinc/90/85/08/455908508.db2.gz YQCFTFMWJVRLGG-QFIPXVFZSA-N 2 1 336.479 3.277 20 0 EGADMP OCc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000285749056 455908513 /nfs/dbraw/zinc/90/85/13/455908513.db2.gz YQCFTFMWJVRLGG-QFIPXVFZSA-N 2 1 336.479 3.277 20 0 EGADMP OCc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000285749056 455908518 /nfs/dbraw/zinc/90/85/18/455908518.db2.gz YQCFTFMWJVRLGG-QFIPXVFZSA-N 2 1 336.479 3.277 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000194985203 455909936 /nfs/dbraw/zinc/90/99/36/455909936.db2.gz XWZXAGSAVHBJDT-WMZOPIPTSA-N 2 1 327.476 3.138 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000194985203 455909939 /nfs/dbraw/zinc/90/99/39/455909939.db2.gz XWZXAGSAVHBJDT-WMZOPIPTSA-N 2 1 327.476 3.138 20 0 EGADMP CCn1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272329224 455915400 /nfs/dbraw/zinc/91/54/00/455915400.db2.gz MRQFGJBYVSDQNA-JENIJYKNSA-N 2 1 326.488 3.464 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1OC(F)F ZINC000261710795 455932358 /nfs/dbraw/zinc/93/23/58/455932358.db2.gz KXZSDTZYUSUINI-JSGCOSHPSA-N 2 1 328.403 3.246 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCOC4(CCC4)C3)c2)CCO1 ZINC000296434668 455937610 /nfs/dbraw/zinc/93/76/10/455937610.db2.gz NJAUTHACZVLAMW-XLIONFOSSA-N 2 1 344.499 3.099 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCOC4(CCC4)C3)c2)CCO1 ZINC000296434668 455937613 /nfs/dbraw/zinc/93/76/13/455937613.db2.gz NJAUTHACZVLAMW-XLIONFOSSA-N 2 1 344.499 3.099 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)ccc1OC(F)F ZINC000261786599 455947578 /nfs/dbraw/zinc/94/75/78/455947578.db2.gz SNLUILRTYGLOND-CYBMUJFWSA-N 2 1 328.403 3.248 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000261843509 455957895 /nfs/dbraw/zinc/95/78/95/455957895.db2.gz VDVRNWNJSHNBBB-VDZJLULYSA-N 2 1 329.488 3.375 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272491088 455969355 /nfs/dbraw/zinc/96/93/55/455969355.db2.gz NAYHOFXEICRHSI-NBHGPNQESA-N 2 1 342.458 3.359 20 0 EGADMP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000261944958 455976086 /nfs/dbraw/zinc/97/60/86/455976086.db2.gz NGINIVXNVZUTAD-XHDPSFHLSA-N 2 1 338.377 3.265 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000261944958 455976088 /nfs/dbraw/zinc/97/60/88/455976088.db2.gz NGINIVXNVZUTAD-XHDPSFHLSA-N 2 1 338.377 3.265 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3coc(C[NH3+])c3)cc2)C1 ZINC000188060203 455988382 /nfs/dbraw/zinc/98/83/82/455988382.db2.gz AEKRKAVZNQPFAN-CQSZACIVSA-N 2 1 327.428 3.223 20 0 EGADMP COc1ccc(C(=O)C2CC[NH+](CCCn3cc[nH+]c3C)CC2)cc1 ZINC000270658460 456008118 /nfs/dbraw/zinc/00/81/18/456008118.db2.gz QEJUNPYEUOXJDJ-UHFFFAOYSA-N 2 1 341.455 3.185 20 0 EGADMP Cn1cc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000286295058 456018518 /nfs/dbraw/zinc/01/85/18/456018518.db2.gz WJUGOIGJBAKAIF-NJDAHSKKSA-N 2 1 338.499 3.201 20 0 EGADMP CS[C@H](CO)[C@@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286336869 456026555 /nfs/dbraw/zinc/02/65/55/456026555.db2.gz YDBHESDKOIHZBC-JYPHPWERSA-N 2 1 336.545 3.132 20 0 EGADMP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272986041 456135303 /nfs/dbraw/zinc/13/53/03/456135303.db2.gz PMBLWVNEBJWDOC-HUUCEWRRSA-N 2 1 349.544 3.193 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000236663680 456165939 /nfs/dbraw/zinc/16/59/39/456165939.db2.gz HDNDKRHZPSWDJL-FXAWDEMLSA-N 2 1 345.531 3.169 20 0 EGADMP CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000281239074 456175319 /nfs/dbraw/zinc/17/53/19/456175319.db2.gz VDLALOADBGYANQ-YJBOKZPZSA-N 2 1 340.471 3.090 20 0 EGADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000289967411 456198819 /nfs/dbraw/zinc/19/88/19/456198819.db2.gz NDQPYDKGBANKHD-ZWKOTPCHSA-N 2 1 340.471 3.381 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000236938219 456205316 /nfs/dbraw/zinc/20/53/16/456205316.db2.gz RBIHKTKAYJSRPF-IEBWSBKVSA-N 2 1 345.531 3.483 20 0 EGADMP COc1ncccc1CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290028960 456220727 /nfs/dbraw/zinc/22/07/27/456220727.db2.gz CSWZEBMUBZUBQQ-FXAWDEMLSA-N 2 1 339.483 3.133 20 0 EGADMP Cc1nn(C)c2ncc(C[NH2+]CCC[N@H+](C)C3CCCCC3)cc12 ZINC000237090991 456230193 /nfs/dbraw/zinc/23/01/93/456230193.db2.gz GNRLJEZVKULIMT-UHFFFAOYSA-N 2 1 329.492 3.021 20 0 EGADMP Cc1nn(C)c2ncc(C[NH2+]CCC[N@@H+](C)C3CCCCC3)cc12 ZINC000237090991 456230199 /nfs/dbraw/zinc/23/01/99/456230199.db2.gz GNRLJEZVKULIMT-UHFFFAOYSA-N 2 1 329.492 3.021 20 0 EGADMP Cc1cc(C[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)n(-c2ccccc2)n1 ZINC000297626245 456267224 /nfs/dbraw/zinc/26/72/24/456267224.db2.gz LSDVTYLCONRFPV-INIZCTEOSA-N 2 1 338.499 3.328 20 0 EGADMP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cnn1-c1ccc(F)cc1 ZINC000347657554 456286211 /nfs/dbraw/zinc/28/62/11/456286211.db2.gz UMJGXUHUKVCGJJ-WMLDXEAASA-N 2 1 330.451 3.455 20 0 EGADMP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cnn1-c1ccc(F)cc1 ZINC000347657554 456286220 /nfs/dbraw/zinc/28/62/20/456286220.db2.gz UMJGXUHUKVCGJJ-WMLDXEAASA-N 2 1 330.451 3.455 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000352777005 456297280 /nfs/dbraw/zinc/29/72/80/456297280.db2.gz FPQNBZDMKDWSOY-LNLFQRSKSA-N 2 1 348.535 3.016 20 0 EGADMP CN(CCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)CC(F)(F)F ZINC000340184002 456298027 /nfs/dbraw/zinc/29/80/27/456298027.db2.gz OQSBRPDDRZNKOA-IRXDYDNUSA-N 2 1 343.437 3.296 20 0 EGADMP CN(CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)CC(F)(F)F ZINC000340184002 456298032 /nfs/dbraw/zinc/29/80/32/456298032.db2.gz OQSBRPDDRZNKOA-IRXDYDNUSA-N 2 1 343.437 3.296 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(OC)c(O)c(OC)c1 ZINC000290340510 456299475 /nfs/dbraw/zinc/29/94/75/456299475.db2.gz FJNNJUZBIZTSAK-UHFFFAOYSA-N 2 1 347.459 3.081 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(OC)c(O)c(OC)c1 ZINC000290340510 456299482 /nfs/dbraw/zinc/29/94/82/456299482.db2.gz FJNNJUZBIZTSAK-UHFFFAOYSA-N 2 1 347.459 3.081 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2)CC1 ZINC000352800805 456319580 /nfs/dbraw/zinc/31/95/80/456319580.db2.gz PZGOZUTWMVMLSV-FXAWDEMLSA-N 2 1 343.515 3.060 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C[C@H]4CCCOC4)C3)C2)cc1 ZINC000342938285 456325676 /nfs/dbraw/zinc/32/56/76/456325676.db2.gz XCDNYUHGZVBSKV-NHCUHLMSSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C[C@H]4CCCOC4)C3)C2)cc1 ZINC000342938285 456325677 /nfs/dbraw/zinc/32/56/77/456325677.db2.gz XCDNYUHGZVBSKV-NHCUHLMSSA-N 2 1 328.500 3.401 20 0 EGADMP CC1CC[NH+]([C@H](CNc2cc[nH+]cc2C(N)=O)c2ccccc2)CC1 ZINC000302241575 456328171 /nfs/dbraw/zinc/32/81/71/456328171.db2.gz XZQIJGKFYKPAML-LJQANCHMSA-N 2 1 338.455 3.066 20 0 EGADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000297997858 456340930 /nfs/dbraw/zinc/34/09/30/456340930.db2.gz ZMUXJLBRTAPHQB-HNNXBMFYSA-N 2 1 326.444 3.062 20 0 EGADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000297997858 456340936 /nfs/dbraw/zinc/34/09/36/456340936.db2.gz ZMUXJLBRTAPHQB-HNNXBMFYSA-N 2 1 326.444 3.062 20 0 EGADMP CC[C@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000337568504 456387603 /nfs/dbraw/zinc/38/76/03/456387603.db2.gz BJYZBEYTEYYKNK-PMACEKPBSA-N 2 1 345.531 3.055 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)[C@@]12CCCO2 ZINC000340353498 456408908 /nfs/dbraw/zinc/40/89/08/456408908.db2.gz MLEVQJVTZXGIBY-ADAARDCZSA-N 2 1 344.499 3.138 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)[C@@]12CCCO2 ZINC000340353498 456408914 /nfs/dbraw/zinc/40/89/14/456408914.db2.gz MLEVQJVTZXGIBY-ADAARDCZSA-N 2 1 344.499 3.138 20 0 EGADMP CC[N@H+](CCC1CC[NH+](Cc2cn(C(C)C)nn2)CC1)CC1CC1 ZINC000347955629 456427587 /nfs/dbraw/zinc/42/75/87/456427587.db2.gz IFRRUEZYJBKJIO-UHFFFAOYSA-N 2 1 333.524 3.193 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cn(C(C)C)nn2)CC1)CC1CC1 ZINC000347955629 456427596 /nfs/dbraw/zinc/42/75/96/456427596.db2.gz IFRRUEZYJBKJIO-UHFFFAOYSA-N 2 1 333.524 3.193 20 0 EGADMP COc1ncccc1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340386639 456431499 /nfs/dbraw/zinc/43/14/99/456431499.db2.gz FCZQSCOCJBNAHX-RBUKOAKNSA-N 2 1 325.456 3.058 20 0 EGADMP COc1ncccc1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340386639 456431503 /nfs/dbraw/zinc/43/15/03/456431503.db2.gz FCZQSCOCJBNAHX-RBUKOAKNSA-N 2 1 325.456 3.058 20 0 EGADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000282175468 456434883 /nfs/dbraw/zinc/43/48/83/456434883.db2.gz FHFVHWHIDGITAO-QGZVFWFLSA-N 2 1 325.447 3.032 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000340587631 456550359 /nfs/dbraw/zinc/55/03/59/456550359.db2.gz CGNDEQBWFGQRAT-UHFFFAOYSA-N 2 1 345.531 3.233 20 0 EGADMP COc1cc2[nH+]ccc(N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c2cc1OC ZINC000298832148 456550993 /nfs/dbraw/zinc/55/09/93/456550993.db2.gz HSTRHQKQDPKYPU-WMLDXEAASA-N 2 1 341.455 3.173 20 0 EGADMP C[C@@H]1C[C@H](N(C)c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000348228412 456551124 /nfs/dbraw/zinc/55/11/24/456551124.db2.gz QLQGYKSJYNKSAN-NVXWUHKLSA-N 2 1 335.455 3.447 20 0 EGADMP C[C@@H]1C[C@H](N(C)c2[nH+]cnc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000348228412 456551126 /nfs/dbraw/zinc/55/11/26/456551126.db2.gz QLQGYKSJYNKSAN-NVXWUHKLSA-N 2 1 335.455 3.447 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189140 456558916 /nfs/dbraw/zinc/55/89/16/456558916.db2.gz OYDKWOIQMWIDGO-PBHICJAKSA-N 2 1 344.421 3.403 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189140 456558926 /nfs/dbraw/zinc/55/89/26/456558926.db2.gz OYDKWOIQMWIDGO-PBHICJAKSA-N 2 1 344.421 3.403 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189140 456558935 /nfs/dbraw/zinc/55/89/35/456558935.db2.gz OYDKWOIQMWIDGO-PBHICJAKSA-N 2 1 344.421 3.403 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189140 456558940 /nfs/dbraw/zinc/55/89/40/456558940.db2.gz OYDKWOIQMWIDGO-PBHICJAKSA-N 2 1 344.421 3.403 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291189140 456558950 /nfs/dbraw/zinc/55/89/50/456558950.db2.gz OYDKWOIQMWIDGO-PBHICJAKSA-N 2 1 344.421 3.403 20 0 EGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000282577947 456559049 /nfs/dbraw/zinc/55/90/49/456559049.db2.gz FVIXZXLOOKLLIA-GOSISDBHSA-N 2 1 341.503 3.094 20 0 EGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000282577947 456559053 /nfs/dbraw/zinc/55/90/53/456559053.db2.gz FVIXZXLOOKLLIA-GOSISDBHSA-N 2 1 341.503 3.094 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C)CC1 ZINC000310002831 456578435 /nfs/dbraw/zinc/57/84/35/456578435.db2.gz FZYORPLOHVNNSP-OAHLLOKOSA-N 2 1 327.513 3.144 20 0 EGADMP CC(C)n1cncc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310156040 456579681 /nfs/dbraw/zinc/57/96/81/456579681.db2.gz HDGFWPRLPJWCFO-LJQANCHMSA-N 2 1 326.488 3.466 20 0 EGADMP CC(C)n1cncc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310156040 456579686 /nfs/dbraw/zinc/57/96/86/456579686.db2.gz HDGFWPRLPJWCFO-LJQANCHMSA-N 2 1 326.488 3.466 20 0 EGADMP c1ccc([C@H]2C[C@@H]2C[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000348266311 456584281 /nfs/dbraw/zinc/58/42/81/456584281.db2.gz XQRIDMBUTHVEGM-WOJBJXKFSA-N 2 1 328.500 3.415 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC34CCCC4)cc2)CC1 ZINC000353265759 456597940 /nfs/dbraw/zinc/59/79/40/456597940.db2.gz AZRASIDOAOAICO-FQEVSTJZSA-N 2 1 327.516 3.246 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(N2CCCNC2=O)cc1 ZINC000291342415 456612481 /nfs/dbraw/zinc/61/24/81/456612481.db2.gz WYGXILLJMUVYLV-SJLPKXTDSA-N 2 1 344.503 3.131 20 0 EGADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc21 ZINC000282748240 456613016 /nfs/dbraw/zinc/61/30/16/456613016.db2.gz AOKCAGYFPBJNPR-RBUKOAKNSA-N 2 1 328.456 3.020 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000340777718 456680368 /nfs/dbraw/zinc/68/03/68/456680368.db2.gz NVFYKSOMNBBTDI-SFHVURJKSA-N 2 1 329.444 3.254 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1ccc(=O)[nH]n1 ZINC000353502999 456719612 /nfs/dbraw/zinc/71/96/12/456719612.db2.gz NRLGXEOBZPRHNE-MRXNPFEDSA-N 2 1 340.471 3.409 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000283194088 456732727 /nfs/dbraw/zinc/73/27/27/456732727.db2.gz KVXGNYVIDDWKCA-YSGRDPCXSA-N 2 1 342.483 3.242 20 0 EGADMP C[NH+](C)CCOC1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000353525187 456736845 /nfs/dbraw/zinc/73/68/45/456736845.db2.gz GCRCYERETGSUKG-UHFFFAOYSA-N 2 1 347.322 3.053 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000348536659 456746680 /nfs/dbraw/zinc/74/66/80/456746680.db2.gz SUCOBOSWRRVLFF-CYBMUJFWSA-N 2 1 343.406 3.430 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000291759655 456747635 /nfs/dbraw/zinc/74/76/35/456747635.db2.gz RGGXQFYIYCTDIP-GFCCVEGCSA-N 2 1 336.430 3.055 20 0 EGADMP Cc1[nH]nc2ncc(C[N@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)cc12 ZINC000353608020 456798909 /nfs/dbraw/zinc/79/89/09/456798909.db2.gz CXZMTFHXEMPNFO-GOSISDBHSA-N 2 1 349.482 3.220 20 0 EGADMP Cc1[nH]nc2ncc(C[N@@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)cc12 ZINC000353608020 456798910 /nfs/dbraw/zinc/79/89/10/456798910.db2.gz CXZMTFHXEMPNFO-GOSISDBHSA-N 2 1 349.482 3.220 20 0 EGADMP Cc1[nH]nc2ncc(C[NH+](C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000353608020 456798915 /nfs/dbraw/zinc/79/89/15/456798915.db2.gz CXZMTFHXEMPNFO-GOSISDBHSA-N 2 1 349.482 3.220 20 0 EGADMP Cc1[nH]nc2ncc(C[NH+](C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000353608020 456798917 /nfs/dbraw/zinc/79/89/17/456798917.db2.gz CXZMTFHXEMPNFO-GOSISDBHSA-N 2 1 349.482 3.220 20 0 EGADMP COC1CCC(C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000344135527 456800621 /nfs/dbraw/zinc/80/06/21/456800621.db2.gz GOVSXEFQPILXRM-UHFFFAOYSA-N 2 1 337.533 3.204 20 0 EGADMP COC1CCC(C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000344135527 456800627 /nfs/dbraw/zinc/80/06/27/456800627.db2.gz GOVSXEFQPILXRM-UHFFFAOYSA-N 2 1 337.533 3.204 20 0 EGADMP Cc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)c(-c2ccnn2C)c1 ZINC000338953610 456873421 /nfs/dbraw/zinc/87/34/21/456873421.db2.gz SKJIOIOKPYXOLP-UHFFFAOYSA-N 2 1 326.488 3.313 20 0 EGADMP COCCO[C@@H]1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000338955602 456875735 /nfs/dbraw/zinc/87/57/35/456875735.db2.gz GQEGBUWMUJUJMF-HXUWFJFHSA-N 2 1 348.531 3.272 20 0 EGADMP COCCO[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000338955602 456875738 /nfs/dbraw/zinc/87/57/38/456875738.db2.gz GQEGBUWMUJUJMF-HXUWFJFHSA-N 2 1 348.531 3.272 20 0 EGADMP COCCO[C@@H]1CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000338955602 456875740 /nfs/dbraw/zinc/87/57/40/456875740.db2.gz GQEGBUWMUJUJMF-HXUWFJFHSA-N 2 1 348.531 3.272 20 0 EGADMP COCCO[C@@H]1CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000338955602 456875742 /nfs/dbraw/zinc/87/57/42/456875742.db2.gz GQEGBUWMUJUJMF-HXUWFJFHSA-N 2 1 348.531 3.272 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2OC)CC1 ZINC000353819136 456921578 /nfs/dbraw/zinc/92/15/78/456921578.db2.gz PZVDPRIBQDJQCJ-NRSPTQNISA-N 2 1 346.515 3.038 20 0 EGADMP O=C(Nc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1)c1ccco1 ZINC000339073042 456926580 /nfs/dbraw/zinc/92/65/80/456926580.db2.gz ZBOSGKCCCGVSBL-QZTJIDSGSA-N 2 1 339.439 3.248 20 0 EGADMP CC[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+](CC)CC ZINC000353906969 456960588 /nfs/dbraw/zinc/96/05/88/456960588.db2.gz PYDPTDDQDUSHLR-AZUAARDMSA-N 2 1 345.531 3.230 20 0 EGADMP C[C@H](Cn1cccn1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000345205248 456966280 /nfs/dbraw/zinc/96/62/80/456966280.db2.gz JVGGGQVAGNXXHA-QZTJIDSGSA-N 2 1 326.488 3.436 20 0 EGADMP CCOC(=O)c1coc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000353934607 456971586 /nfs/dbraw/zinc/97/15/86/456971586.db2.gz TUVRDYJDVDSJLS-UHFFFAOYSA-N 2 1 342.439 3.342 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCOCC1 ZINC000341907410 456995362 /nfs/dbraw/zinc/99/53/62/456995362.db2.gz WXMURBNYFDOQHA-NHCUHLMSSA-N 2 1 346.515 3.072 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCOCC1 ZINC000341907410 456995363 /nfs/dbraw/zinc/99/53/63/456995363.db2.gz WXMURBNYFDOQHA-NHCUHLMSSA-N 2 1 346.515 3.072 20 0 EGADMP C[C@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000354016731 457011322 /nfs/dbraw/zinc/01/13/22/457011322.db2.gz CCLRZCWAWPTIRP-KXBFYZLASA-N 2 1 345.462 3.030 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000354016731 457011328 /nfs/dbraw/zinc/01/13/28/457011328.db2.gz CCLRZCWAWPTIRP-KXBFYZLASA-N 2 1 345.462 3.030 20 0 EGADMP Cc1ccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1F ZINC000354044307 457029904 /nfs/dbraw/zinc/02/99/04/457029904.db2.gz HVWMGHCGJSWDST-UHFFFAOYSA-N 2 1 333.495 3.125 20 0 EGADMP CC[C@@H](C(=O)NC1CC[NH+](CC(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000339269029 457031240 /nfs/dbraw/zinc/03/12/40/457031240.db2.gz HPUVVJGKJZLAIT-FQEVSTJZSA-N 2 1 345.531 3.134 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnc(C(C)C)s2)C1 ZINC000354081032 457049127 /nfs/dbraw/zinc/04/91/27/457049127.db2.gz DKAXNMCBYIKBCE-HNNXBMFYSA-N 2 1 325.522 3.199 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000354082022 457050078 /nfs/dbraw/zinc/05/00/78/457050078.db2.gz JJJAOLGPMQXGIG-AWEZNQCLSA-N 2 1 345.409 3.033 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000354082022 457050079 /nfs/dbraw/zinc/05/00/79/457050079.db2.gz JJJAOLGPMQXGIG-AWEZNQCLSA-N 2 1 345.409 3.033 20 0 EGADMP CNC(=O)c1cccc(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000356574855 457063597 /nfs/dbraw/zinc/06/35/97/457063597.db2.gz JMMZKFLRVUIGCE-HKUYNNGSSA-N 2 1 343.515 3.133 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C34CCC[NH+]3CCC4)cc2)C1 ZINC000339435713 457118386 /nfs/dbraw/zinc/11/83/86/457118386.db2.gz AWPCKQWQHIDBNZ-KRWDZBQOSA-N 2 1 341.499 3.485 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)C[C@H]3C)cc2)C1 ZINC000359910802 457142985 /nfs/dbraw/zinc/14/29/85/457142985.db2.gz LNFMVWJHUIZZCI-DBXWQHBBSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)cc2)C1 ZINC000359910802 457142991 /nfs/dbraw/zinc/14/29/91/457142991.db2.gz LNFMVWJHUIZZCI-DBXWQHBBSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)cc2)C1 ZINC000359910802 457142994 /nfs/dbraw/zinc/14/29/94/457142994.db2.gz LNFMVWJHUIZZCI-DBXWQHBBSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)C[C@H]3C)cc2)C1 ZINC000359910802 457142998 /nfs/dbraw/zinc/14/29/98/457142998.db2.gz LNFMVWJHUIZZCI-DBXWQHBBSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)C[C@H]3C)cc2)C1 ZINC000359910802 457143003 /nfs/dbraw/zinc/14/30/03/457143003.db2.gz LNFMVWJHUIZZCI-DBXWQHBBSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+](C)C[C@H]3C)cc2)C1 ZINC000359910810 457143275 /nfs/dbraw/zinc/14/32/75/457143275.db2.gz LNFMVWJHUIZZCI-OPYAIIAOSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@H]3C)cc2)C1 ZINC000359910810 457143281 /nfs/dbraw/zinc/14/32/81/457143281.db2.gz LNFMVWJHUIZZCI-OPYAIIAOSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)cc2)C1 ZINC000359910810 457143292 /nfs/dbraw/zinc/14/32/92/457143292.db2.gz LNFMVWJHUIZZCI-OPYAIIAOSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCN(C)C[C@H]3C)cc2)C1 ZINC000359910810 457143298 /nfs/dbraw/zinc/14/32/98/457143298.db2.gz LNFMVWJHUIZZCI-OPYAIIAOSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCN(C)C[C@H]3C)cc2)C1 ZINC000359910810 457143307 /nfs/dbraw/zinc/14/33/07/457143307.db2.gz LNFMVWJHUIZZCI-OPYAIIAOSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000359923436 457150456 /nfs/dbraw/zinc/15/04/56/457150456.db2.gz CXUARTLCLYGDPH-BRWVUGGUSA-N 2 1 332.488 3.476 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCOC1 ZINC000356849505 457183523 /nfs/dbraw/zinc/18/35/23/457183523.db2.gz PNWIDYJQAJDLLT-BMQTXXJKSA-N 2 1 346.515 3.201 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@@H]12 ZINC000351472516 457298713 /nfs/dbraw/zinc/29/87/13/457298713.db2.gz AZSJTNLQJYMURE-DFQSSKMNSA-N 2 1 335.451 3.108 20 0 EGADMP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)C1CCCC1 ZINC000342478476 457326263 /nfs/dbraw/zinc/32/62/63/457326263.db2.gz SDRWXRCMDODWQX-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CCCC1 ZINC000342478476 457326267 /nfs/dbraw/zinc/32/62/67/457326267.db2.gz SDRWXRCMDODWQX-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CCCC1 ZINC000342478476 457326274 /nfs/dbraw/zinc/32/62/74/457326274.db2.gz SDRWXRCMDODWQX-FQEVSTJZSA-N 2 1 343.515 3.032 20 0 EGADMP c1nc2ccccc2n1-c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357109207 457326886 /nfs/dbraw/zinc/32/68/86/457326886.db2.gz WTHSTDNGQLTWLF-MSOLQXFVSA-N 2 1 332.451 3.067 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000347320017 457351067 /nfs/dbraw/zinc/35/10/67/457351067.db2.gz PKPFAOUVXANCLD-FWZVCBSNSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347320017 457351072 /nfs/dbraw/zinc/35/10/72/457351072.db2.gz PKPFAOUVXANCLD-FWZVCBSNSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347320017 457351081 /nfs/dbraw/zinc/35/10/81/457351081.db2.gz PKPFAOUVXANCLD-FWZVCBSNSA-N 2 1 327.516 3.112 20 0 EGADMP CCOC(=O)CCCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352433913 457364265 /nfs/dbraw/zinc/36/42/65/457364265.db2.gz ZBGIJOIKKCWWMK-UXHICEINSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)CCCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352433913 457364271 /nfs/dbraw/zinc/36/42/71/457364271.db2.gz ZBGIJOIKKCWWMK-UXHICEINSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)CCCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352433913 457364275 /nfs/dbraw/zinc/36/42/75/457364275.db2.gz ZBGIJOIKKCWWMK-UXHICEINSA-N 2 1 344.499 3.174 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000342586643 457381804 /nfs/dbraw/zinc/38/18/04/457381804.db2.gz MZBGVDWCDNRBSF-XUVXKRRUSA-N 2 1 343.515 3.030 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347377118 457385716 /nfs/dbraw/zinc/38/57/16/457385716.db2.gz QBSNEPFETRRAEX-IAGOWNOFSA-N 2 1 331.485 3.082 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347377118 457385722 /nfs/dbraw/zinc/38/57/22/457385722.db2.gz QBSNEPFETRRAEX-IAGOWNOFSA-N 2 1 331.485 3.082 20 0 EGADMP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352477699 457397734 /nfs/dbraw/zinc/39/77/34/457397734.db2.gz OBUMVVGNAOZFIP-INIZCTEOSA-N 2 1 349.494 3.186 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CCN([C@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817163 457413825 /nfs/dbraw/zinc/41/38/25/457413825.db2.gz YNDUQYWQIALTBG-CVEARBPZSA-N 2 1 328.460 3.380 20 0 EGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000352503989 457422839 /nfs/dbraw/zinc/42/28/39/457422839.db2.gz LYSVOVAKXQJDDK-IBGZPJMESA-N 2 1 325.456 3.364 20 0 EGADMP CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000347477023 457453292 /nfs/dbraw/zinc/45/32/92/457453292.db2.gz MSUHQBQLHJGVLA-QFBILLFUSA-N 2 1 331.504 3.052 20 0 EGADMP CC(C)(C)OC(=O)NC1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000393906090 457469349 /nfs/dbraw/zinc/46/93/49/457469349.db2.gz NLDIVPXROVWZIS-SJJHQCBESA-N 2 1 337.508 3.039 20 0 EGADMP CC(C)(C)OC(=O)NC1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000393906090 457469360 /nfs/dbraw/zinc/46/93/60/457469360.db2.gz NLDIVPXROVWZIS-SJJHQCBESA-N 2 1 337.508 3.039 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000395653040 457477704 /nfs/dbraw/zinc/47/77/04/457477704.db2.gz YYNPQGLTZHWTTG-YTQUADARSA-N 2 1 345.531 3.037 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]CC3(SC)CCC3)cc2)CC1 ZINC000356171893 457505163 /nfs/dbraw/zinc/50/51/63/457505163.db2.gz BXDBJYUJUBVFHG-UHFFFAOYSA-N 2 1 347.572 3.199 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000399107836 457505913 /nfs/dbraw/zinc/50/59/13/457505913.db2.gz YGCIOXSIEAYETO-BRWVUGGUSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@H]1C[C@H](NC(=O)c2cccc(Oc3ccncc3)c2)CC[N@H+]1C ZINC000357414281 457507452 /nfs/dbraw/zinc/50/74/52/457507452.db2.gz MKTMJWCVEZLBLI-GOEBONIOSA-N 2 1 325.412 3.086 20 0 EGADMP CC[N@@H+](CCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C)C(C)C ZINC000352688249 457532687 /nfs/dbraw/zinc/53/26/87/457532687.db2.gz WAFYPBCUASJJPK-MJGOQNOKSA-N 2 1 348.535 3.016 20 0 EGADMP CO[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)C1CC1 ZINC000425418429 457543137 /nfs/dbraw/zinc/54/31/37/457543137.db2.gz IPIHUOIXFPJRJT-LEWJYISDSA-N 2 1 328.500 3.400 20 0 EGADMP CO[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000425418429 457543147 /nfs/dbraw/zinc/54/31/47/457543147.db2.gz IPIHUOIXFPJRJT-LEWJYISDSA-N 2 1 328.500 3.400 20 0 EGADMP CO[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000425418429 457543158 /nfs/dbraw/zinc/54/31/58/457543158.db2.gz IPIHUOIXFPJRJT-LEWJYISDSA-N 2 1 328.500 3.400 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)CC[C@H](C(=O)OC)c2ccccc2)CC1 ZINC000425421942 457546459 /nfs/dbraw/zinc/54/64/59/457546459.db2.gz MRSDOAJPOUZFQN-IBGZPJMESA-N 2 1 332.488 3.140 20 0 EGADMP COc1cccc(CNC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000374281207 457564931 /nfs/dbraw/zinc/56/49/31/457564931.db2.gz WXEGCRSUSPQVJI-FQEVSTJZSA-N 2 1 325.456 3.092 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000361075299 457566012 /nfs/dbraw/zinc/56/60/12/457566012.db2.gz GMFWPLLPMVVKRG-NRFANRHFSA-N 2 1 329.532 3.317 20 0 EGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cccc(O)c3)CC2)CC1 ZINC000374282661 457566555 /nfs/dbraw/zinc/56/65/55/457566555.db2.gz GJOBYAYNFLBVFD-UHFFFAOYSA-N 2 1 345.531 3.020 20 0 EGADMP Cc1[nH+]ccn1CC[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425499075 457577148 /nfs/dbraw/zinc/57/71/48/457577148.db2.gz ACTGGHYLSBYEIG-UHFFFAOYSA-N 2 1 330.501 3.406 20 0 EGADMP CC(C)Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000361162489 457621942 /nfs/dbraw/zinc/62/19/42/457621942.db2.gz CGSNNUPPDFWRCH-FXAWDEMLSA-N 2 1 345.531 3.123 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2ccsc2S1 ZINC000361183375 457634040 /nfs/dbraw/zinc/63/40/40/457634040.db2.gz UESBWAFWPHIYEU-ZBFHGGJFSA-N 2 1 339.574 3.291 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H]3CCSC3)CC2)cs1 ZINC000370526375 457666066 /nfs/dbraw/zinc/66/60/66/457666066.db2.gz JTDFOZOFWMTJFN-OAHLLOKOSA-N 2 1 339.574 3.260 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(OCC2CC2)cc1 ZINC000364718296 457679348 /nfs/dbraw/zinc/67/93/48/457679348.db2.gz NTHKCIUYPJKJQT-HLAWJBBLSA-N 2 1 344.499 3.159 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(OCC2CC2)cc1 ZINC000364718296 457679350 /nfs/dbraw/zinc/67/93/50/457679350.db2.gz NTHKCIUYPJKJQT-HLAWJBBLSA-N 2 1 344.499 3.159 20 0 EGADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)o1 ZINC000357792316 457691766 /nfs/dbraw/zinc/69/17/66/457691766.db2.gz KAOLJPSHBNBNMA-DNVCBOLYSA-N 2 1 327.472 3.477 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC000370654288 457691979 /nfs/dbraw/zinc/69/19/79/457691979.db2.gz XXOLHRPQAZDCIZ-MDZRGWNJSA-N 2 1 335.923 3.486 20 0 EGADMP Fc1ccc(CC[NH+]2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000370671387 457697293 /nfs/dbraw/zinc/69/72/93/457697293.db2.gz QSSVAPSOEYUCAY-RTWAWAEBSA-N 2 1 345.506 3.049 20 0 EGADMP Fc1ccc(CCN2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000370671387 457697295 /nfs/dbraw/zinc/69/72/95/457697295.db2.gz QSSVAPSOEYUCAY-RTWAWAEBSA-N 2 1 345.506 3.049 20 0 EGADMP Fc1ccc(CCN2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000370671387 457697298 /nfs/dbraw/zinc/69/72/98/457697298.db2.gz QSSVAPSOEYUCAY-RTWAWAEBSA-N 2 1 345.506 3.049 20 0 EGADMP COC[C@H](CC(C)C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000361354127 457703620 /nfs/dbraw/zinc/70/36/20/457703620.db2.gz WFVJESNTCUOTNH-SFHVURJKSA-N 2 1 337.508 3.154 20 0 EGADMP Cc1ccc2ncc(C[N@H+]3CCC[C@H](CN4CCOCC4)C3)cc2c1 ZINC000411256020 457842919 /nfs/dbraw/zinc/84/29/19/457842919.db2.gz HPQQHEKSCFOLJI-GOSISDBHSA-N 2 1 339.483 3.087 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000361765345 457846112 /nfs/dbraw/zinc/84/61/12/457846112.db2.gz OTABHYACLHQTMH-BQFCYCMXSA-N 2 1 342.487 3.132 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000361765345 457846118 /nfs/dbraw/zinc/84/61/18/457846118.db2.gz OTABHYACLHQTMH-BQFCYCMXSA-N 2 1 342.487 3.132 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCSc1ccccc1F ZINC000371294125 457853593 /nfs/dbraw/zinc/85/35/93/457853593.db2.gz JDBQHPSFYXTQPZ-PVAVHDDUSA-N 2 1 338.492 3.101 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCSc1ccccc1F ZINC000371294125 457853599 /nfs/dbraw/zinc/85/35/99/457853599.db2.gz JDBQHPSFYXTQPZ-PVAVHDDUSA-N 2 1 338.492 3.101 20 0 EGADMP c1cc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)ccc1C[NH+]1CCCCC1 ZINC000411323620 457858363 /nfs/dbraw/zinc/85/83/63/457858363.db2.gz LMLIWQOPPFHYRJ-VQTJNVASSA-N 2 1 346.540 3.379 20 0 EGADMP COC(=O)C[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411397595 457874839 /nfs/dbraw/zinc/87/48/39/457874839.db2.gz HZKLVHPHXZDSSD-IBGZPJMESA-N 2 1 330.472 3.200 20 0 EGADMP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358251777 457889357 /nfs/dbraw/zinc/88/93/57/457889357.db2.gz LKEVADDVYODVQM-HOTGVXAUSA-N 2 1 330.394 3.203 20 0 EGADMP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358251777 457889360 /nfs/dbraw/zinc/88/93/60/457889360.db2.gz LKEVADDVYODVQM-HOTGVXAUSA-N 2 1 330.394 3.203 20 0 EGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000358253809 457889451 /nfs/dbraw/zinc/88/94/51/457889451.db2.gz PCQLGPWDBQRJBF-IUODEOHRSA-N 2 1 348.434 3.058 20 0 EGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000358253809 457889453 /nfs/dbraw/zinc/88/94/53/457889453.db2.gz PCQLGPWDBQRJBF-IUODEOHRSA-N 2 1 348.434 3.058 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCc3n[nH]cc3C2)CC1 ZINC000366705033 457889871 /nfs/dbraw/zinc/88/98/71/457889871.db2.gz AEYHBQVAGSRCNC-IOJLRTSASA-N 2 1 338.499 3.300 20 0 EGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(SC2CCCC2)cc1 ZINC000358259041 457893877 /nfs/dbraw/zinc/89/38/77/457893877.db2.gz UDDBIZQOQGRLQW-DNVCBOLYSA-N 2 1 334.529 3.439 20 0 EGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(SC2CCCC2)cc1 ZINC000358259041 457893884 /nfs/dbraw/zinc/89/38/84/457893884.db2.gz UDDBIZQOQGRLQW-DNVCBOLYSA-N 2 1 334.529 3.439 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2Cl)C1 ZINC000361833504 457894133 /nfs/dbraw/zinc/89/41/33/457894133.db2.gz OEBDMIUWUMIISX-QGZVFWFLSA-N 2 1 340.895 3.281 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCCCOc1ccccc1 ZINC000375355623 457894375 /nfs/dbraw/zinc/89/43/75/457894375.db2.gz KNTNSMGZLAFNNG-NRSPTQNISA-N 2 1 346.515 3.419 20 0 EGADMP c1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444609180 457917080 /nfs/dbraw/zinc/91/70/80/457917080.db2.gz ALAGWXTUZRJIGO-GOSISDBHSA-N 2 1 326.488 3.377 20 0 EGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000361876258 457922911 /nfs/dbraw/zinc/92/29/11/457922911.db2.gz DOZLFCDTWAKLOF-FCHUYYIVSA-N 2 1 336.479 3.209 20 0 EGADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000361876258 457922917 /nfs/dbraw/zinc/92/29/17/457922917.db2.gz DOZLFCDTWAKLOF-FCHUYYIVSA-N 2 1 336.479 3.209 20 0 EGADMP Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000361891788 457935441 /nfs/dbraw/zinc/93/54/41/457935441.db2.gz YNGFMNDUXQFKQD-QXAKKESOSA-N 2 1 328.456 3.122 20 0 EGADMP C[C@H]1OCC[C@@]12C[N@H+](Cc1cccc(C[NH+]3CCCCC3)c1)CCO2 ZINC000411656487 457940759 /nfs/dbraw/zinc/94/07/59/457940759.db2.gz BLBVGIKPZJKKMR-WIYYLYMNSA-N 2 1 344.499 3.052 20 0 EGADMP C[C@H]1OCC[C@@]12C[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)CCO2 ZINC000411656487 457940768 /nfs/dbraw/zinc/94/07/68/457940768.db2.gz BLBVGIKPZJKKMR-WIYYLYMNSA-N 2 1 344.499 3.052 20 0 EGADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)n(-c2ccccc2)n1 ZINC000358344724 457948913 /nfs/dbraw/zinc/94/89/13/457948913.db2.gz XOXIVCYCTIXIQL-HQRMLTQVSA-N 2 1 338.499 3.328 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000411722512 457962574 /nfs/dbraw/zinc/96/25/74/457962574.db2.gz QQNSRWNXBOFHEM-NRFANRHFSA-N 2 1 344.499 3.054 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000411722512 457962577 /nfs/dbraw/zinc/96/25/77/457962577.db2.gz QQNSRWNXBOFHEM-NRFANRHFSA-N 2 1 344.499 3.054 20 0 EGADMP C[NH+](C)CC1CC[NH+](Cc2nnc(-c3ccccc3Cl)o2)CC1 ZINC000361945084 457970036 /nfs/dbraw/zinc/97/00/36/457970036.db2.gz RSROZZOLFVOERM-UHFFFAOYSA-N 2 1 334.851 3.164 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000434654184 458029696 /nfs/dbraw/zinc/02/96/96/458029696.db2.gz DIHWOOKDXUBSQY-UHFFFAOYSA-N 2 1 347.478 3.413 20 0 EGADMP C[C@H]1C[N@@H+](CCCc2ccccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371697418 458037973 /nfs/dbraw/zinc/03/79/73/458037973.db2.gz WAZNDKABMCIXIL-PXNSSMCTSA-N 2 1 349.950 3.230 20 0 EGADMP O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000368445621 458039159 /nfs/dbraw/zinc/03/91/59/458039159.db2.gz MPCAEAPXNUSEFX-JWRWLIQVSA-N 2 1 339.483 3.036 20 0 EGADMP c1sc(Cc2ccccc2)nc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503413 458043632 /nfs/dbraw/zinc/04/36/32/458043632.db2.gz GBKQHQAZRLEMHC-UHFFFAOYSA-N 2 1 327.497 3.309 20 0 EGADMP O[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C[C@H]2C1 ZINC000412044622 458062689 /nfs/dbraw/zinc/06/26/89/458062689.db2.gz MFUCXVMBKAKNHT-NJDAHSKKSA-N 2 1 328.500 3.265 20 0 EGADMP CCOc1c(OC)cc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1OC ZINC000368963681 458067126 /nfs/dbraw/zinc/06/71/26/458067126.db2.gz BXYQMIGCWIKXKL-UHFFFAOYSA-N 2 1 348.487 3.163 20 0 EGADMP CS[C@H]1CN(c2cc[nH+]c3cc(F)ccc32)C[C@@H]1[NH+]1CCCC1 ZINC000445597005 458067285 /nfs/dbraw/zinc/06/72/85/458067285.db2.gz QEQAYWYUUCHAME-ROUUACIJSA-N 2 1 331.460 3.390 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412061478 458074638 /nfs/dbraw/zinc/07/46/38/458074638.db2.gz HRSRBTBLTSTMMJ-QGZVFWFLSA-N 2 1 335.492 3.416 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412061478 458074635 /nfs/dbraw/zinc/07/46/35/458074635.db2.gz HRSRBTBLTSTMMJ-QGZVFWFLSA-N 2 1 335.492 3.416 20 0 EGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369196895 458120097 /nfs/dbraw/zinc/12/00/97/458120097.db2.gz HDHVDGGAPPCYCQ-XYPHTWIQSA-N 2 1 342.405 3.089 20 0 EGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000369196895 458120103 /nfs/dbraw/zinc/12/01/03/458120103.db2.gz HDHVDGGAPPCYCQ-XYPHTWIQSA-N 2 1 342.405 3.089 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000435372861 458121783 /nfs/dbraw/zinc/12/17/83/458121783.db2.gz SUFUVKBZHZYLRO-OCCSQVGLSA-N 2 1 346.393 3.196 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000435372890 458121987 /nfs/dbraw/zinc/12/19/87/458121987.db2.gz LIMLGLIDPJELBA-GUYCJALGSA-N 2 1 346.906 3.371 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000435372887 458123117 /nfs/dbraw/zinc/12/31/17/458123117.db2.gz LIMLGLIDPJELBA-CXAGYDPISA-N 2 1 346.906 3.371 20 0 EGADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)cc2)cs1 ZINC000435380947 458127862 /nfs/dbraw/zinc/12/78/62/458127862.db2.gz QUIMEAPJXLMMJV-ACJLOTCBSA-N 2 1 331.485 3.200 20 0 EGADMP CCC[N@H+](Cc1cccc(Br)c1OC)C1CC[NH2+]CC1 ZINC000435380654 458128875 /nfs/dbraw/zinc/12/88/75/458128875.db2.gz SIKUBFFWZGOWDL-UHFFFAOYSA-N 2 1 341.293 3.422 20 0 EGADMP CCC[N@@H+](Cc1cccc(Br)c1OC)C1CC[NH2+]CC1 ZINC000435380654 458128879 /nfs/dbraw/zinc/12/88/79/458128879.db2.gz SIKUBFFWZGOWDL-UHFFFAOYSA-N 2 1 341.293 3.422 20 0 EGADMP C[NH2+]CC1CC[NH+](Cc2csc(COc3ccc(C)cc3)n2)CC1 ZINC000435385720 458132276 /nfs/dbraw/zinc/13/22/76/458132276.db2.gz SYCNQWATBRPXKG-UHFFFAOYSA-N 2 1 345.512 3.462 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000358655817 458132766 /nfs/dbraw/zinc/13/27/66/458132766.db2.gz BQERVUVPBLZBBA-DLBZAZTESA-N 2 1 348.535 3.144 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCCN2CCCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000358717943 458168058 /nfs/dbraw/zinc/16/80/58/458168058.db2.gz GRFFHGJSQBKSOO-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCCN2CCCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC000358717943 458168063 /nfs/dbraw/zinc/16/80/63/458168063.db2.gz GRFFHGJSQBKSOO-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435615266 458172440 /nfs/dbraw/zinc/17/24/40/458172440.db2.gz OWNKQEYFFBQEEG-WBVHZDCISA-N 2 1 349.544 3.048 20 0 EGADMP CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435615266 458172446 /nfs/dbraw/zinc/17/24/46/458172446.db2.gz OWNKQEYFFBQEEG-WBVHZDCISA-N 2 1 349.544 3.048 20 0 EGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435615264 458172812 /nfs/dbraw/zinc/17/28/12/458172812.db2.gz OWNKQEYFFBQEEG-NVXWUHKLSA-N 2 1 349.544 3.048 20 0 EGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435615264 458172816 /nfs/dbraw/zinc/17/28/16/458172816.db2.gz OWNKQEYFFBQEEG-NVXWUHKLSA-N 2 1 349.544 3.048 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000376203023 458233052 /nfs/dbraw/zinc/23/30/52/458233052.db2.gz ILOKWUQPUWNAAO-XMSQKQJNSA-N 2 1 337.511 3.298 20 0 EGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(Cl)cn3)CC2)C[C@@H](C)O1 ZINC000376486907 458315610 /nfs/dbraw/zinc/31/56/10/458315610.db2.gz VGUYGFDKCCLMJI-HUUCEWRRSA-N 2 1 337.895 3.056 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459328627 458330947 /nfs/dbraw/zinc/33/09/47/458330947.db2.gz QCQQUXRAKAQGIP-UHFFFAOYSA-N 2 1 346.906 3.381 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000459351529 458340168 /nfs/dbraw/zinc/34/01/68/458340168.db2.gz HCQZBPQKEPDAKV-INIZCTEOSA-N 2 1 340.471 3.013 20 0 EGADMP Cc1cc(F)c(C[NH+]2CCC(OCC[NH+](C)C)CC2)c(Cl)c1 ZINC000459358879 458342397 /nfs/dbraw/zinc/34/23/97/458342397.db2.gz XIWJFGCEHJYEIC-UHFFFAOYSA-N 2 1 328.859 3.330 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000372990296 458368552 /nfs/dbraw/zinc/36/85/52/458368552.db2.gz PGRDYNOBJHKVGZ-QUCCMNQESA-N 2 1 332.488 3.161 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000372990296 458368560 /nfs/dbraw/zinc/36/85/60/458368560.db2.gz PGRDYNOBJHKVGZ-QUCCMNQESA-N 2 1 332.488 3.161 20 0 EGADMP O[C@@]1(C[NH2+]CCc2ccc(Cl)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000459444728 458373451 /nfs/dbraw/zinc/37/34/51/458373451.db2.gz ZUVXOPHMWDSBEG-HXUWFJFHSA-N 2 1 344.886 3.109 20 0 EGADMP O[C@@]1(C[NH2+]CCc2ccc(Cl)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000459444728 458373455 /nfs/dbraw/zinc/37/34/55/458373455.db2.gz ZUVXOPHMWDSBEG-HXUWFJFHSA-N 2 1 344.886 3.109 20 0 EGADMP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459462321 458378915 /nfs/dbraw/zinc/37/89/15/458378915.db2.gz KVMQKWDDHXEEDI-ROUUACIJSA-N 3 1 342.531 3.293 20 0 EGADMP COc1ccccc1[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)OC(C)C ZINC000459522426 458399150 /nfs/dbraw/zinc/39/91/50/458399150.db2.gz HWYLNWNQHLDZFB-FQEVSTJZSA-N 2 1 332.488 3.378 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000423479217 458439849 /nfs/dbraw/zinc/43/98/49/458439849.db2.gz URXZVRVCTCBCKK-ONUIULTDSA-N 3 1 327.516 3.289 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000423479217 458439854 /nfs/dbraw/zinc/43/98/54/458439854.db2.gz URXZVRVCTCBCKK-ONUIULTDSA-N 2 1 327.516 3.289 20 0 EGADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423516004 458448707 /nfs/dbraw/zinc/44/87/07/458448707.db2.gz NHZHLPPRLIKDNO-CJNGLKHVSA-N 2 1 331.485 3.148 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000459721722 458456842 /nfs/dbraw/zinc/45/68/42/458456842.db2.gz ARHLJVURHWAJLL-ICSRJNTNSA-N 2 1 332.488 3.066 20 0 EGADMP CSc1cc2c(cc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)OCCO2 ZINC000459722880 458456933 /nfs/dbraw/zinc/45/69/33/458456933.db2.gz CESXPTBQZNHNEP-AWEZNQCLSA-N 2 1 336.501 3.001 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](NCCC[NH2+]C3CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423556095 458456964 /nfs/dbraw/zinc/45/69/64/458456964.db2.gz MKLHEHNYBKEYKJ-ACRUOGEOSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCC[NH2+]C3CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423556095 458456967 /nfs/dbraw/zinc/45/69/67/458456967.db2.gz MKLHEHNYBKEYKJ-ACRUOGEOSA-N 3 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC[NH2+]C3CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423556095 458456971 /nfs/dbraw/zinc/45/69/71/458456971.db2.gz MKLHEHNYBKEYKJ-ACRUOGEOSA-N 3 1 327.516 3.161 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430571991 458463056 /nfs/dbraw/zinc/46/30/56/458463056.db2.gz OVRJNMQZSOXARE-NVXWUHKLSA-N 2 1 325.456 3.228 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000459738368 458463170 /nfs/dbraw/zinc/46/31/70/458463170.db2.gz RQSOZMMHQZGYBD-OAHLLOKOSA-N 2 1 332.879 3.347 20 0 EGADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000430581288 458465804 /nfs/dbraw/zinc/46/58/04/458465804.db2.gz GYWOSBKVTMPULL-FQEVSTJZSA-N 2 1 325.456 3.402 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430602655 458470299 /nfs/dbraw/zinc/47/02/99/458470299.db2.gz HNWIZAQRRLSOBH-INIZCTEOSA-N 2 1 325.456 3.100 20 0 EGADMP COc1ccccc1-n1nccc1CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000430764866 458490044 /nfs/dbraw/zinc/49/00/44/458490044.db2.gz UHVZVTRHYBVBLW-QGZVFWFLSA-N 2 1 342.487 3.187 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C1CCCCC1 ZINC000373434071 458492191 /nfs/dbraw/zinc/49/21/91/458492191.db2.gz BOHVJQXMXODUCO-GHTZIAJQSA-N 2 1 341.499 3.389 20 0 EGADMP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000430940755 458509121 /nfs/dbraw/zinc/50/91/21/458509121.db2.gz QYAUFEHVYMXXDF-GHMZBOCLSA-N 2 1 344.286 3.380 20 0 EGADMP Fc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000377760048 458515484 /nfs/dbraw/zinc/51/54/84/458515484.db2.gz INHNVKJTPBMGDF-MSOLQXFVSA-N 2 1 325.431 3.175 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000423953844 458520595 /nfs/dbraw/zinc/52/05/95/458520595.db2.gz JTPZVYBHVNSRNU-LJQANCHMSA-N 2 1 331.504 3.166 20 0 EGADMP CCC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H]1CCc2ccccc2C1 ZINC000431077551 458526087 /nfs/dbraw/zinc/52/60/87/458526087.db2.gz PBVVJGYRTWXMNQ-INIZCTEOSA-N 2 1 328.460 3.033 20 0 EGADMP Cn1ccnc1[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000377825354 458543369 /nfs/dbraw/zinc/54/33/69/458543369.db2.gz AZKHZAZBVQDUCL-LJQANCHMSA-N 2 1 340.515 3.368 20 0 EGADMP Cn1ccnc1[C@@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000377825354 458543373 /nfs/dbraw/zinc/54/33/73/458543373.db2.gz AZKHZAZBVQDUCL-LJQANCHMSA-N 2 1 340.515 3.368 20 0 EGADMP Cn1ccnc1[C@@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000377825354 458543378 /nfs/dbraw/zinc/54/33/78/458543378.db2.gz AZKHZAZBVQDUCL-LJQANCHMSA-N 2 1 340.515 3.368 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000424080422 458552785 /nfs/dbraw/zinc/55/27/85/458552785.db2.gz VOPMIVPWCWDUGP-QKLQHJQFSA-N 2 1 345.531 3.364 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccn(-c3c(F)cccc3F)n1)CC[NH2+]CC2 ZINC000424300588 458608971 /nfs/dbraw/zinc/60/89/71/458608971.db2.gz WVNZLJGEIYHXPF-CQSZACIVSA-N 2 1 346.425 3.115 20 0 EGADMP Cc1ccc(C)c(NC(=O)[C@H](C)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000470984217 458672734 /nfs/dbraw/zinc/67/27/34/458672734.db2.gz QYPWIDJGXQKWQD-HKUYNNGSSA-N 2 1 343.515 3.294 20 0 EGADMP Clc1ccc(CN2CCC([NH2+][C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000530177562 458710070 /nfs/dbraw/zinc/71/00/70/458710070.db2.gz KIABYRPOQYPJQX-SFHVURJKSA-N 2 1 333.907 3.179 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000503865969 458726880 /nfs/dbraw/zinc/72/68/80/458726880.db2.gz YGJWBRBGVANDTI-IHPCNDPISA-N 2 1 345.531 3.180 20 0 EGADMP Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)oc1C ZINC000471850634 458743297 /nfs/dbraw/zinc/74/32/97/458743297.db2.gz ZYNYBPARJXOXNI-RBUKOAKNSA-N 2 1 327.472 3.464 20 0 EGADMP Cc1nc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)oc1C ZINC000471850634 458743299 /nfs/dbraw/zinc/74/32/99/458743299.db2.gz ZYNYBPARJXOXNI-RBUKOAKNSA-N 2 1 327.472 3.464 20 0 EGADMP C[C@@H]1C[N@H+](C/C=C\c2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000530336489 458750420 /nfs/dbraw/zinc/75/04/20/458750420.db2.gz RSTCQIMSEMECOG-BTPWVNNRSA-N 2 1 347.934 3.311 20 0 EGADMP C[C@@H]1C[N@@H+](C/C=C\c2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000530336489 458750426 /nfs/dbraw/zinc/75/04/26/458750426.db2.gz RSTCQIMSEMECOG-BTPWVNNRSA-N 2 1 347.934 3.311 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547505550 458752556 /nfs/dbraw/zinc/75/25/56/458752556.db2.gz VZWJBEYCKBGRFG-DZFGPLHGSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC3(C2)CCCCCC3)CC1 ZINC000464764373 458770552 /nfs/dbraw/zinc/77/05/52/458770552.db2.gz GVWPEAQBWOTZCY-UHFFFAOYSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCC23CCCC3)c2cccs2)CC1 ZINC000530545662 458787899 /nfs/dbraw/zinc/78/78/99/458787899.db2.gz CNHLXDYWPAOZMR-SJLPKXTDSA-N 2 1 333.545 3.349 20 0 EGADMP Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000472347744 458788876 /nfs/dbraw/zinc/78/88/76/458788876.db2.gz PZAPYKLPJRCYLM-ICSRJNTNSA-N 2 1 339.483 3.268 20 0 EGADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([N@@H+](C)CCCNC(=O)C2CCC2)CC1 ZINC000432800874 458790026 /nfs/dbraw/zinc/79/00/26/458790026.db2.gz RNTJHQASIDIRFY-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@H](C)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000472483098 458798766 /nfs/dbraw/zinc/79/87/66/458798766.db2.gz DMRNXHPPSQNHES-PKOBYXMFSA-N 2 1 343.515 3.294 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)cc1)C1CC1 ZINC000440913893 458864941 /nfs/dbraw/zinc/86/49/41/458864941.db2.gz MHKAEVJZMBQAGX-QAPCUYQASA-N 2 1 341.499 3.026 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1)C1CC1 ZINC000440913893 458864944 /nfs/dbraw/zinc/86/49/44/458864944.db2.gz MHKAEVJZMBQAGX-QAPCUYQASA-N 2 1 341.499 3.026 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1)C1CC1 ZINC000440913893 458864945 /nfs/dbraw/zinc/86/49/45/458864945.db2.gz MHKAEVJZMBQAGX-QAPCUYQASA-N 2 1 341.499 3.026 20 0 EGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(C(=O)OC(C)C)cc1 ZINC000441155057 458894195 /nfs/dbraw/zinc/89/41/95/458894195.db2.gz KZPRVXXJNHPXFF-MOPGFXCFSA-N 2 1 330.472 3.310 20 0 EGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(=O)OC(C)C)cc1 ZINC000441155057 458894197 /nfs/dbraw/zinc/89/41/97/458894197.db2.gz KZPRVXXJNHPXFF-MOPGFXCFSA-N 2 1 330.472 3.310 20 0 EGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(=O)OC(C)C)cc1 ZINC000441155057 458894202 /nfs/dbraw/zinc/89/42/02/458894202.db2.gz KZPRVXXJNHPXFF-MOPGFXCFSA-N 2 1 330.472 3.310 20 0 EGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@H]2C)C1 ZINC000474710061 458897872 /nfs/dbraw/zinc/89/78/72/458897872.db2.gz OYDQWZZNXQNIPQ-BRSBDYLESA-N 2 1 338.536 3.454 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@H]2C)C1 ZINC000474710061 458897877 /nfs/dbraw/zinc/89/78/77/458897877.db2.gz OYDQWZZNXQNIPQ-BRSBDYLESA-N 2 1 338.536 3.454 20 0 EGADMP CC(C)(CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCCCC1 ZINC000531386529 458909400 /nfs/dbraw/zinc/90/94/00/458909400.db2.gz MPTQXLVPVUVVMG-KRWDZBQOSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000531384532 458910156 /nfs/dbraw/zinc/91/01/56/458910156.db2.gz DFFFACFLTOMCFU-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000531384532 458910160 /nfs/dbraw/zinc/91/01/60/458910160.db2.gz DFFFACFLTOMCFU-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000531384532 458910165 /nfs/dbraw/zinc/91/01/65/458910165.db2.gz DFFFACFLTOMCFU-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CCOc1ccccc1C[N@@H+]1CCN(CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000441365660 458927937 /nfs/dbraw/zinc/92/79/37/458927937.db2.gz LLNRVEPXGVHRAA-UYAOXDASSA-N 2 1 345.531 3.076 20 0 EGADMP CCOc1ccccc1C[N@H+]1CCN(CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000441365660 458927940 /nfs/dbraw/zinc/92/79/40/458927940.db2.gz LLNRVEPXGVHRAA-UYAOXDASSA-N 2 1 345.531 3.076 20 0 EGADMP CCOc1ccccc1C[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000441365660 458927944 /nfs/dbraw/zinc/92/79/44/458927944.db2.gz LLNRVEPXGVHRAA-UYAOXDASSA-N 2 1 345.531 3.076 20 0 EGADMP CCOc1ccccc1C[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000441365660 458927948 /nfs/dbraw/zinc/92/79/48/458927948.db2.gz LLNRVEPXGVHRAA-UYAOXDASSA-N 2 1 345.531 3.076 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495716306 458928657 /nfs/dbraw/zinc/92/86/57/458928657.db2.gz KKFYUVGVQYRLPH-APWZRJJASA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495716306 458928662 /nfs/dbraw/zinc/92/86/62/458928662.db2.gz KKFYUVGVQYRLPH-APWZRJJASA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495716306 458928665 /nfs/dbraw/zinc/92/86/65/458928665.db2.gz KKFYUVGVQYRLPH-APWZRJJASA-N 2 1 339.524 3.098 20 0 EGADMP CC(C)CN(CC(C)C)C(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441399998 458935177 /nfs/dbraw/zinc/93/51/77/458935177.db2.gz FYCGNRXGYVDTJJ-ICSRJNTNSA-N 2 1 349.563 3.076 20 0 EGADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000475339881 458936833 /nfs/dbraw/zinc/93/68/33/458936833.db2.gz WHYHBVSXGXXVTI-BVOGOJNSSA-N 2 1 329.532 3.217 20 0 EGADMP CCN(C(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000566469362 458942500 /nfs/dbraw/zinc/94/25/00/458942500.db2.gz CZPUVWYMLFYXJE-FQEVSTJZSA-N 2 1 343.515 3.275 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000531614036 458945772 /nfs/dbraw/zinc/94/57/72/458945772.db2.gz ZPDXJHCMZLNTFR-KRWDZBQOSA-N 2 1 341.503 3.381 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000531614036 458945779 /nfs/dbraw/zinc/94/57/79/458945779.db2.gz ZPDXJHCMZLNTFR-KRWDZBQOSA-N 2 1 341.503 3.381 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000531691445 458960362 /nfs/dbraw/zinc/96/03/62/458960362.db2.gz BINFHKFBEMIHAY-PJPHBNEVSA-N 2 1 336.442 3.180 20 0 EGADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556891668 459028957 /nfs/dbraw/zinc/02/89/57/459028957.db2.gz FEOOABNRAJHRRY-FFZBTMFNSA-N 2 1 330.516 3.426 20 0 EGADMP C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442759792 459031552 /nfs/dbraw/zinc/03/15/52/459031552.db2.gz FFKRMFNCZPTWRG-YIONKMFJSA-N 2 1 328.378 3.299 20 0 EGADMP Cc1ncc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)n1C ZINC000567063028 459043096 /nfs/dbraw/zinc/04/30/96/459043096.db2.gz MICZOPZZHOFYHA-INIZCTEOSA-N 2 1 326.488 3.393 20 0 EGADMP CC(C)[C@H](CSc1ccccc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442874130 459049147 /nfs/dbraw/zinc/04/91/47/459049147.db2.gz LVMYEPYEMUERGK-IBGZPJMESA-N 2 1 349.588 3.419 20 0 EGADMP Cc1ccc([C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C2CCC2)cc1 ZINC000442875609 459049589 /nfs/dbraw/zinc/04/95/89/459049589.db2.gz PHIBMGKQAZQILD-FQEVSTJZSA-N 2 1 329.532 3.452 20 0 EGADMP COC(=O)CC[C@H](CC1CCCCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000577634493 459065958 /nfs/dbraw/zinc/06/59/58/459065958.db2.gz QVLWOAHONJGXRQ-GOSISDBHSA-N 2 1 336.520 3.495 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443056813 459078822 /nfs/dbraw/zinc/07/88/22/459078822.db2.gz DEKWPYLKXKQUIY-HZPDHXFCSA-N 2 1 325.456 3.228 20 0 EGADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000443058453 459079129 /nfs/dbraw/zinc/07/91/29/459079129.db2.gz AFEQYCUGCOKVGL-SJORKVTESA-N 2 1 339.483 3.078 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000443056797 459079826 /nfs/dbraw/zinc/07/98/26/459079826.db2.gz DDIIHNJPDQBCQM-MRXNPFEDSA-N 2 1 325.456 3.229 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)c(Cl)c1 ZINC000443061037 459080992 /nfs/dbraw/zinc/08/09/92/459080992.db2.gz QPXGJNITRKLSCJ-LSDHHAIUSA-N 2 1 337.895 3.345 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)c(Cl)c1 ZINC000443061037 459080999 /nfs/dbraw/zinc/08/09/99/459080999.db2.gz QPXGJNITRKLSCJ-LSDHHAIUSA-N 2 1 337.895 3.345 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065167 459083041 /nfs/dbraw/zinc/08/30/41/459083041.db2.gz ZMHVPGPHFXGGCS-HZPDHXFCSA-N 2 1 331.504 3.199 20 0 EGADMP COCc1nc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(-c2ccccc2)s1 ZINC000520838149 459099826 /nfs/dbraw/zinc/09/98/26/459099826.db2.gz RHGHKPUDTBFHAK-HUUCEWRRSA-N 2 1 331.485 3.316 20 0 EGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1)C1CCCC1 ZINC000496211720 459110209 /nfs/dbraw/zinc/11/02/09/459110209.db2.gz GTTSXVMZLKPEPL-MJGOQNOKSA-N 2 1 345.487 3.147 20 0 EGADMP CC(C)[C@H]1C[C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c2ccccc21 ZINC000567673677 459141983 /nfs/dbraw/zinc/14/19/83/459141983.db2.gz ADEFGMXEQUZJNR-MSOLQXFVSA-N 2 1 339.487 3.246 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2ccccc2)s1 ZINC000558422690 459156432 /nfs/dbraw/zinc/15/64/32/459156432.db2.gz TWGBIOMVFQSFFF-UHFFFAOYSA-N 2 1 343.540 3.484 20 0 EGADMP Brc1cccc2c1C[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000578249872 459170108 /nfs/dbraw/zinc/17/01/08/459170108.db2.gz DNZCLVCIHLVXIV-HIFRSBDPSA-N 2 1 349.316 3.380 20 0 EGADMP CC(C)C[C@@H]1COCC[NH+]1CCCC[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000558528508 459170763 /nfs/dbraw/zinc/17/07/63/459170763.db2.gz HEEJTCMJNJNONF-BGYRXZFFSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)C[C@@H]1COCC[N@H+]1CCCC[NH+]1CCOC[C@@H]1CC(C)C ZINC000558528508 459170766 /nfs/dbraw/zinc/17/07/66/459170766.db2.gz HEEJTCMJNJNONF-BGYRXZFFSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)C[C@@H]1COCC[N@@H+]1CCCC[NH+]1CCOC[C@@H]1CC(C)C ZINC000558528508 459170769 /nfs/dbraw/zinc/17/07/69/459170769.db2.gz HEEJTCMJNJNONF-BGYRXZFFSA-N 2 1 340.552 3.260 20 0 EGADMP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000521995438 459201115 /nfs/dbraw/zinc/20/11/15/459201115.db2.gz LTPUNNFLURHTBT-LBEHMCEESA-N 2 1 344.421 3.447 20 0 EGADMP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000521995438 459201122 /nfs/dbraw/zinc/20/11/22/459201122.db2.gz LTPUNNFLURHTBT-LBEHMCEESA-N 2 1 344.421 3.447 20 0 EGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000480702326 459213968 /nfs/dbraw/zinc/21/39/68/459213968.db2.gz VOZXXECGMGBTSY-ROUUACIJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000480702326 459213973 /nfs/dbraw/zinc/21/39/73/459213973.db2.gz VOZXXECGMGBTSY-ROUUACIJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000480702326 459213979 /nfs/dbraw/zinc/21/39/79/459213979.db2.gz VOZXXECGMGBTSY-ROUUACIJSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000590787014 459218378 /nfs/dbraw/zinc/21/83/78/459218378.db2.gz UEWMMBPRRFXTOQ-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](C[N@@H+](CC)CC(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000481736151 459272130 /nfs/dbraw/zinc/27/21/30/459272130.db2.gz MUIZCNCFTLDNEU-SFHVURJKSA-N 2 1 345.531 3.103 20 0 EGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3C=CCCCCC3)CC2)CC1 ZINC000559795025 459279135 /nfs/dbraw/zinc/27/91/35/459279135.db2.gz HFGDKNSVPJOLCS-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)[NH+]1CC(C)C1 ZINC000568650391 459323392 /nfs/dbraw/zinc/32/33/92/459323392.db2.gz OXEYIQSPQYCWKX-DOTOQJQBSA-N 2 1 329.488 3.197 20 0 EGADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[NH+]1CC(C)C1 ZINC000568650391 459323399 /nfs/dbraw/zinc/32/33/99/459323399.db2.gz OXEYIQSPQYCWKX-DOTOQJQBSA-N 2 1 329.488 3.197 20 0 EGADMP CCC[NH+](CCC)CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483201300 459349877 /nfs/dbraw/zinc/34/98/77/459349877.db2.gz QFQQBIVUEVLBFR-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CC[C@H](CCO)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000560524979 459366266 /nfs/dbraw/zinc/36/62/66/459366266.db2.gz TWFJIGULOMCVJY-DOIPELPJSA-N 2 1 330.516 3.428 20 0 EGADMP COc1ccc(C[C@@H](C)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1F ZINC000560594059 459377313 /nfs/dbraw/zinc/37/73/13/459377313.db2.gz FRSQQESWDMQUMM-OXQOHEQNSA-N 2 1 334.479 3.431 20 0 EGADMP COc1ccc(C[C@@H](C)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1F ZINC000560594059 459377316 /nfs/dbraw/zinc/37/73/16/459377316.db2.gz FRSQQESWDMQUMM-OXQOHEQNSA-N 2 1 334.479 3.431 20 0 EGADMP COc1ccc(C[C@@H](C)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1F ZINC000560594059 459377319 /nfs/dbraw/zinc/37/73/19/459377319.db2.gz FRSQQESWDMQUMM-OXQOHEQNSA-N 2 1 334.479 3.431 20 0 EGADMP CC(C)OCC[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000568991130 459377932 /nfs/dbraw/zinc/37/79/32/459377932.db2.gz KOTMXDMRFBNIOZ-RXVVDRJESA-N 2 1 348.531 3.327 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000561396352 459449485 /nfs/dbraw/zinc/44/94/85/459449485.db2.gz HNABQVVNVZXLDI-ZWKOTPCHSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1OC ZINC000561396352 459449493 /nfs/dbraw/zinc/44/94/93/459449493.db2.gz HNABQVVNVZXLDI-ZWKOTPCHSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1OC ZINC000561396352 459449498 /nfs/dbraw/zinc/44/94/98/459449498.db2.gz HNABQVVNVZXLDI-ZWKOTPCHSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000561396348 459450215 /nfs/dbraw/zinc/45/02/15/459450215.db2.gz HNABQVVNVZXLDI-MSOLQXFVSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1OC ZINC000561396348 459450218 /nfs/dbraw/zinc/45/02/18/459450218.db2.gz HNABQVVNVZXLDI-MSOLQXFVSA-N 2 1 332.488 3.400 20 0 EGADMP CCCOc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1OC ZINC000561396348 459450221 /nfs/dbraw/zinc/45/02/21/459450221.db2.gz HNABQVVNVZXLDI-MSOLQXFVSA-N 2 1 332.488 3.400 20 0 EGADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)CC[NH+](C)C1CCCCC1 ZINC000561455968 459454768 /nfs/dbraw/zinc/45/47/68/459454768.db2.gz AHFAFGMRKWVGKB-UHFFFAOYSA-N 2 1 349.519 3.215 20 0 EGADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000561455968 459454771 /nfs/dbraw/zinc/45/47/71/459454771.db2.gz AHFAFGMRKWVGKB-UHFFFAOYSA-N 2 1 349.519 3.215 20 0 EGADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000561455968 459454790 /nfs/dbraw/zinc/45/47/90/459454790.db2.gz AHFAFGMRKWVGKB-UHFFFAOYSA-N 2 1 349.519 3.215 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000569592379 459478235 /nfs/dbraw/zinc/47/82/35/459478235.db2.gz IXRSPLCEEADWCI-ZOBUZTSGSA-N 3 1 330.520 3.152 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000569592379 459478240 /nfs/dbraw/zinc/47/82/40/459478240.db2.gz IXRSPLCEEADWCI-ZOBUZTSGSA-N 2 1 330.520 3.152 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000569592379 459478245 /nfs/dbraw/zinc/47/82/45/459478245.db2.gz IXRSPLCEEADWCI-ZOBUZTSGSA-N 2 1 330.520 3.152 20 0 EGADMP CC[N@@H+](C[C@H](O)CN(C)C1CC1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000562034325 459504610 /nfs/dbraw/zinc/50/46/10/459504610.db2.gz UZTHJEFPUORBMT-WOJBJXKFSA-N 2 1 336.495 3.170 20 0 EGADMP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000562034325 459504616 /nfs/dbraw/zinc/50/46/16/459504616.db2.gz UZTHJEFPUORBMT-WOJBJXKFSA-N 2 1 336.495 3.170 20 0 EGADMP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000562034325 459504621 /nfs/dbraw/zinc/50/46/21/459504621.db2.gz UZTHJEFPUORBMT-WOJBJXKFSA-N 2 1 336.495 3.170 20 0 EGADMP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000562034325 459504622 /nfs/dbraw/zinc/50/46/22/459504622.db2.gz UZTHJEFPUORBMT-WOJBJXKFSA-N 2 1 336.495 3.170 20 0 EGADMP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000562034325 459504624 /nfs/dbraw/zinc/50/46/24/459504624.db2.gz UZTHJEFPUORBMT-WOJBJXKFSA-N 2 1 336.495 3.170 20 0 EGADMP OC1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000569827383 459517851 /nfs/dbraw/zinc/51/78/51/459517851.db2.gz XGCULSXQKFIOJA-HSALFYBXSA-N 2 1 328.500 3.182 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000497303448 459522006 /nfs/dbraw/zinc/52/20/06/459522006.db2.gz AYWYOXQYLWMWRX-IXDOHACOSA-N 2 1 339.524 3.144 20 0 EGADMP CC[C@@H]1C[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000592489082 459612398 /nfs/dbraw/zinc/61/23/98/459612398.db2.gz PMIIUCZZCZUILS-IUODEOHRSA-N 2 1 332.366 3.023 20 0 EGADMP COC(=O)CC[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000592515935 459620303 /nfs/dbraw/zinc/62/03/03/459620303.db2.gz OMHLCXVIABBUIT-QRVBRYPASA-N 2 1 336.520 3.495 20 0 EGADMP CC(C)CCOc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000583962304 459625224 /nfs/dbraw/zinc/62/52/24/459625224.db2.gz MFESJCZEAKJALP-UHFFFAOYSA-N 2 1 347.547 3.181 20 0 EGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CCSC3)cc2)C[C@H]1C ZINC000543414868 459654779 /nfs/dbraw/zinc/65/47/79/459654779.db2.gz CJYXXQSZDWXACX-ZIFCJYIRSA-N 2 1 348.556 3.291 20 0 EGADMP Cc1cc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn2ccnc12 ZINC000573337263 459661758 /nfs/dbraw/zinc/66/17/58/459661758.db2.gz KXAZIMSHEKBMCN-KRWDZBQOSA-N 2 1 334.423 3.103 20 0 EGADMP Cc1cc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000573337263 459661760 /nfs/dbraw/zinc/66/17/60/459661760.db2.gz KXAZIMSHEKBMCN-KRWDZBQOSA-N 2 1 334.423 3.103 20 0 EGADMP Cc1cc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000573337263 459661764 /nfs/dbraw/zinc/66/17/64/459661764.db2.gz KXAZIMSHEKBMCN-KRWDZBQOSA-N 2 1 334.423 3.103 20 0 EGADMP COc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc(C(F)(F)F)c1 ZINC000527634034 459679266 /nfs/dbraw/zinc/67/92/66/459679266.db2.gz UMBWNISXHGXYCU-UHFFFAOYSA-N 2 1 328.378 3.430 20 0 EGADMP Clc1cnc(CNC[C@@H]2CC[N@H+](C3CC3)C2)c(Br)c1 ZINC000527637561 459679944 /nfs/dbraw/zinc/67/99/44/459679944.db2.gz MISZOFYMJMILGL-JTQLQIEISA-N 2 1 344.684 3.071 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000573594161 459703061 /nfs/dbraw/zinc/70/30/61/459703061.db2.gz XFBQJEJYZZUSSP-UEXGIBASSA-N 2 1 336.435 3.274 20 0 EGADMP C[C@@H]1C[N@@H+]([C@H]2CCc3ccc(Cl)cc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000544129863 459730821 /nfs/dbraw/zinc/73/08/21/459730821.db2.gz NVNDUWZWLKMUFF-XPGWFJOJSA-N 2 1 347.934 3.285 20 0 EGADMP C[C@@H]1C[N@H+]([C@H]2CCc3ccc(Cl)cc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000544129863 459730823 /nfs/dbraw/zinc/73/08/23/459730823.db2.gz NVNDUWZWLKMUFF-XPGWFJOJSA-N 2 1 347.934 3.285 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+]C[C@@](C)(O)C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000566115443 459808621 /nfs/dbraw/zinc/80/86/21/459808621.db2.gz JGJSHDHPHDYIDA-DJIMGWMZSA-N 2 1 344.421 3.190 20 0 EGADMP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000545866814 459863556 /nfs/dbraw/zinc/86/35/56/459863556.db2.gz GQHKTQFFCHEATG-GHTZIAJQSA-N 2 1 346.515 3.009 20 0 EGADMP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000545866814 459863561 /nfs/dbraw/zinc/86/35/61/459863561.db2.gz GQHKTQFFCHEATG-GHTZIAJQSA-N 2 1 346.515 3.009 20 0 EGADMP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000597237891 459889984 /nfs/dbraw/zinc/88/99/84/459889984.db2.gz DZNYULWKQBVQPU-PZJWPPBQSA-N 2 1 344.499 3.363 20 0 EGADMP COc1nc2ccccc2cc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000575600658 459978548 /nfs/dbraw/zinc/97/85/48/459978548.db2.gz ZURJSZMIVSMYRT-LPHOPBHVSA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000575600658 459978555 /nfs/dbraw/zinc/97/85/55/459978555.db2.gz ZURJSZMIVSMYRT-LPHOPBHVSA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000575600658 459978560 /nfs/dbraw/zinc/97/85/60/459978560.db2.gz ZURJSZMIVSMYRT-LPHOPBHVSA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000575600658 459978564 /nfs/dbraw/zinc/97/85/64/459978564.db2.gz ZURJSZMIVSMYRT-LPHOPBHVSA-N 2 1 325.456 3.160 20 0 EGADMP C[C@@H](N(C)CC(=O)Nc1nc(CN2CCCC2)cs1)C(C)(C)C ZINC000575973141 460043399 /nfs/dbraw/zinc/04/33/99/460043399.db2.gz KPVRMVKZIOBHFX-CYBMUJFWSA-N 2 1 338.521 3.044 20 0 EGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000576033494 460055773 /nfs/dbraw/zinc/05/57/73/460055773.db2.gz LGHRPLUEQKYRBM-JLTOFOAXSA-N 2 1 346.421 3.349 20 0 EGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000576033494 460055781 /nfs/dbraw/zinc/05/57/81/460055781.db2.gz LGHRPLUEQKYRBM-JLTOFOAXSA-N 2 1 346.421 3.349 20 0 EGADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000621780014 460061679 /nfs/dbraw/zinc/06/16/79/460061679.db2.gz MKOSUBJJYJIOFA-BZNIZROVSA-N 2 1 342.270 3.135 20 0 EGADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000621780014 460061685 /nfs/dbraw/zinc/06/16/85/460061685.db2.gz MKOSUBJJYJIOFA-BZNIZROVSA-N 2 1 342.270 3.135 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3cc(F)ccc3F)C2)CC1 ZINC000610250361 460097337 /nfs/dbraw/zinc/09/73/37/460097337.db2.gz WTJIGIROXBSTOG-DOTOQJQBSA-N 2 1 337.458 3.126 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3cc(F)ccc3F)C2)CC1 ZINC000610250361 460097342 /nfs/dbraw/zinc/09/73/42/460097342.db2.gz WTJIGIROXBSTOG-DOTOQJQBSA-N 2 1 337.458 3.126 20 0 EGADMP CC(C)(C)[C@@H]1C[NH+](CCCC[N@H+]2CCO[C@@H](C(C)(C)C)C2)CCO1 ZINC000576504463 460155221 /nfs/dbraw/zinc/15/52/21/460155221.db2.gz HCHACSPHGPKDQT-HDICACEKSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)(C)[C@@H]1C[N@H+](CCCC[NH+]2CCO[C@@H](C(C)(C)C)C2)CCO1 ZINC000576504463 460155230 /nfs/dbraw/zinc/15/52/30/460155230.db2.gz HCHACSPHGPKDQT-HDICACEKSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)(C)[C@@H]1C[N@@H+](CCCC[NH+]2CCO[C@@H](C(C)(C)C)C2)CCO1 ZINC000576504463 460155238 /nfs/dbraw/zinc/15/52/38/460155238.db2.gz HCHACSPHGPKDQT-HDICACEKSA-N 2 1 340.552 3.260 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](C)C1(F)F ZINC000625654202 460230298 /nfs/dbraw/zinc/23/02/98/460230298.db2.gz RIRPRLRFELXXGJ-HZPDHXFCSA-N 2 1 338.442 3.242 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000626063537 460360071 /nfs/dbraw/zinc/36/00/71/460360071.db2.gz HKUDEOBEBCXJOY-UHFFFAOYSA-N 2 1 340.471 3.143 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCc1c[nH+]cn1C ZINC000623087035 460406806 /nfs/dbraw/zinc/40/68/06/460406806.db2.gz YUKAJCYVZIRYFP-UHFFFAOYSA-N 2 1 343.862 3.208 20 0 EGADMP C[NH+](C)Cc1cccc(NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000634574206 460431114 /nfs/dbraw/zinc/43/11/14/460431114.db2.gz ZBYAXDWPNRNATK-UHFFFAOYSA-N 2 1 339.483 3.193 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000631665029 460499592 /nfs/dbraw/zinc/49/95/92/460499592.db2.gz UOFUUBXVVYDSSU-RXVVDRJESA-N 2 1 341.543 3.219 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000631665029 460499599 /nfs/dbraw/zinc/49/95/99/460499599.db2.gz UOFUUBXVVYDSSU-RXVVDRJESA-N 3 1 341.543 3.219 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000631665029 460499604 /nfs/dbraw/zinc/49/96/04/460499604.db2.gz UOFUUBXVVYDSSU-RXVVDRJESA-N 3 1 341.543 3.219 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@H](O)C(F)(F)F)cc1 ZINC000631719415 460530532 /nfs/dbraw/zinc/53/05/32/460530532.db2.gz MVYMROYKTQHZOT-RWSFTLGLSA-N 2 1 327.350 3.143 20 0 EGADMP CC(C)c1ccc(-c2ncc(C[N@@H+](C)CCOCC[NH3+])s2)cc1 ZINC000629578871 460812930 /nfs/dbraw/zinc/81/29/30/460812930.db2.gz XGANBXYAHJRZRA-UHFFFAOYSA-N 2 1 333.501 3.341 20 0 EGADMP C[C@H]([NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC000635563557 460832702 /nfs/dbraw/zinc/83/27/02/460832702.db2.gz YTQWFGJOSLDJAV-ROUUACIJSA-N 2 1 343.515 3.108 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624120849 460870279 /nfs/dbraw/zinc/87/02/79/460870279.db2.gz IJPVOYWXEMRMOP-MSOLQXFVSA-N 3 1 333.520 3.010 20 0 EGADMP C[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624120849 460870282 /nfs/dbraw/zinc/87/02/82/460870282.db2.gz IJPVOYWXEMRMOP-MSOLQXFVSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000624120849 460870286 /nfs/dbraw/zinc/87/02/86/460870286.db2.gz IJPVOYWXEMRMOP-MSOLQXFVSA-N 2 1 333.520 3.010 20 0 EGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624122153 460871556 /nfs/dbraw/zinc/87/15/56/460871556.db2.gz KWWNGLFBTYYWEE-QZTJIDSGSA-N 2 1 334.504 3.346 20 0 EGADMP c1ccc(-c2cc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)ccn2)cc1 ZINC000624267385 460939935 /nfs/dbraw/zinc/93/99/35/460939935.db2.gz LQBFEHAPNQRMGV-FQEVSTJZSA-N 2 1 337.467 3.092 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)CC[N@H+]1C ZINC000608061650 460974219 /nfs/dbraw/zinc/97/42/19/460974219.db2.gz WWZCQBSAIUHYDB-WMLDXEAASA-N 2 1 338.455 3.406 20 0 EGADMP Cc1ccc([C@@H](C)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000628236415 461057579 /nfs/dbraw/zinc/05/75/79/461057579.db2.gz AFYUNJIUIYGPRO-AVRDEDQJSA-N 2 1 338.495 3.455 20 0 EGADMP CC1CCN(C(=[NH2+])NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000624582366 461059635 /nfs/dbraw/zinc/05/96/35/461059635.db2.gz IUSJZELLGQDMOL-IBGZPJMESA-N 2 1 328.504 3.155 20 0 EGADMP CCCCc1nc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000652348556 461141661 /nfs/dbraw/zinc/14/16/61/461141661.db2.gz IDUUODAFNMMTTN-UXLLHSPISA-N 2 1 337.533 3.204 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)no3)C2)C1 ZINC000652348246 461142269 /nfs/dbraw/zinc/14/22/69/461142269.db2.gz YQVIOHJYPCFXLP-HLIPFELVSA-N 2 1 341.455 3.060 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)[C@H]1CC[NH3+] ZINC000652354572 461150177 /nfs/dbraw/zinc/15/01/77/461150177.db2.gz CAMWJZXREXRIAX-PXNSSMCTSA-N 2 1 343.515 3.262 20 0 EGADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)[C@H]1CC[NH3+] ZINC000652353920 461150958 /nfs/dbraw/zinc/15/09/58/461150958.db2.gz HBMWXUGLIVRGCM-LRDDRELGSA-N 2 1 341.858 3.257 20 0 EGADMP CC(C)(C)c1csc([C@@H]2CCCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662260869 461151238 /nfs/dbraw/zinc/15/12/38/461151238.db2.gz SENFAHAJWBYBKK-GJZGRUSLSA-N 2 1 349.544 3.489 20 0 EGADMP CC(C)(C)c1csc([C@@H]2CCCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662260869 461151243 /nfs/dbraw/zinc/15/12/43/461151243.db2.gz SENFAHAJWBYBKK-GJZGRUSLSA-N 2 1 349.544 3.489 20 0 EGADMP Fc1ccc(OC(F)F)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000662274119 461160553 /nfs/dbraw/zinc/16/05/53/461160553.db2.gz DHXKRDYFOUNRHL-OAHLLOKOSA-N 2 1 328.378 3.391 20 0 EGADMP Cc1sc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(C)c1C ZINC000662291567 461169460 /nfs/dbraw/zinc/16/94/60/461169460.db2.gz IHCKPSOPRVEGKL-KRWDZBQOSA-N 2 1 349.544 3.323 20 0 EGADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295545 461173737 /nfs/dbraw/zinc/17/37/37/461173737.db2.gz GPBTVZBYKVUVCB-RDJZCZTQSA-N 2 1 347.478 3.173 20 0 EGADMP CC[C@H](OCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000649569792 461184199 /nfs/dbraw/zinc/18/41/99/461184199.db2.gz ANFCUSLMRVWWAJ-NRFANRHFSA-N 2 1 347.547 3.112 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)[C@@H]1CCC[NH3+] ZINC000662314033 461186742 /nfs/dbraw/zinc/18/67/42/461186742.db2.gz LQOITSDQCIUOLN-FCGDIQPGSA-N 2 1 335.536 3.007 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000662343441 461201389 /nfs/dbraw/zinc/20/13/89/461201389.db2.gz QYHVDBGGZCJYCV-WMLDXEAASA-N 2 1 339.911 3.070 20 0 EGADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662382950 461223980 /nfs/dbraw/zinc/22/39/80/461223980.db2.gz FXTQJGQMHCPCCS-IAQYHMDHSA-N 2 1 346.302 3.100 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638128473 461261696 /nfs/dbraw/zinc/26/16/96/461261696.db2.gz UJZZTDPTNXURKN-CRAIPNDOSA-N 2 1 332.488 3.355 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638128473 461261702 /nfs/dbraw/zinc/26/17/02/461261702.db2.gz UJZZTDPTNXURKN-CRAIPNDOSA-N 2 1 332.488 3.355 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638128473 461261707 /nfs/dbraw/zinc/26/17/07/461261707.db2.gz UJZZTDPTNXURKN-CRAIPNDOSA-N 2 1 332.488 3.355 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638128473 461261713 /nfs/dbraw/zinc/26/17/13/461261713.db2.gz UJZZTDPTNXURKN-CRAIPNDOSA-N 2 1 332.488 3.355 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000662526733 461281965 /nfs/dbraw/zinc/28/19/65/461281965.db2.gz KDTPRJPYBXWYQK-YNVMFWSZSA-N 2 1 341.499 3.085 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)c3[nH+]cnc4[nH]ccc43)C2)s1 ZINC000641647401 461304880 /nfs/dbraw/zinc/30/48/80/461304880.db2.gz VPMWIEZEMFQKIW-AWEZNQCLSA-N 2 1 341.484 3.286 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)c3[nH+]cnc4[nH]ccc43)C2)s1 ZINC000641647401 461304886 /nfs/dbraw/zinc/30/48/86/461304886.db2.gz VPMWIEZEMFQKIW-AWEZNQCLSA-N 2 1 341.484 3.286 20 0 EGADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]([NH3+])c2ccc(F)cc2F)c1 ZINC000662683751 461345153 /nfs/dbraw/zinc/34/51/53/461345153.db2.gz SSWDDZXQQGTUMW-GOSISDBHSA-N 2 1 347.409 3.445 20 0 EGADMP CC(C)c1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000668617702 461356784 /nfs/dbraw/zinc/35/67/84/461356784.db2.gz LDZZHZKBGCEDPZ-HXUWFJFHSA-N 2 1 343.515 3.051 20 0 EGADMP CC(C)c1cccc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000668617702 461356791 /nfs/dbraw/zinc/35/67/91/461356791.db2.gz LDZZHZKBGCEDPZ-HXUWFJFHSA-N 2 1 343.515 3.051 20 0 EGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)COCc1ccccc1 ZINC000655701346 461371740 /nfs/dbraw/zinc/37/17/40/461371740.db2.gz SGWODBXJWBSZPE-RXVVDRJESA-N 2 1 346.515 3.072 20 0 EGADMP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655720729 461389700 /nfs/dbraw/zinc/38/97/00/461389700.db2.gz DWQGCJUGQYLUQB-SQWLQELKSA-N 2 1 334.426 3.198 20 0 EGADMP C[C@]1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCc2ccccc21 ZINC000655735038 461403884 /nfs/dbraw/zinc/40/38/84/461403884.db2.gz CRFPHSYJFCXADD-PZJWPPBQSA-N 2 1 328.500 3.124 20 0 EGADMP C[C@@]1([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCCc2ccccc21 ZINC000655742307 461409242 /nfs/dbraw/zinc/40/92/42/461409242.db2.gz HUZFZPTVYNNORH-TZIWHRDSSA-N 2 1 328.500 3.471 20 0 EGADMP C[C@]1([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCc2ccccc21 ZINC000655742305 461409279 /nfs/dbraw/zinc/40/92/79/461409279.db2.gz HUZFZPTVYNNORH-FPOVZHCZSA-N 2 1 328.500 3.471 20 0 EGADMP c1cncc(-c2cccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c2)c1 ZINC000655754847 461420650 /nfs/dbraw/zinc/42/06/50/461420650.db2.gz KFWCUBGMLAKMIN-NRFANRHFSA-N 2 1 337.467 3.092 20 0 EGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC000655764396 461431463 /nfs/dbraw/zinc/43/14/63/461431463.db2.gz GLEOGZHYNMEBTQ-ICSRJNTNSA-N 2 1 332.463 3.436 20 0 EGADMP c1ccc([C@@H]2CC[C@H](C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)O2)cc1 ZINC000655768090 461432796 /nfs/dbraw/zinc/43/27/96/461432796.db2.gz PIMIGEJMFUGAQM-NJYVYQBISA-N 2 1 344.499 3.140 20 0 EGADMP CC(C)c1ccc(O[C@@H](C)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655769314 461436238 /nfs/dbraw/zinc/43/62/38/461436238.db2.gz XQXYPMCBOIOMHT-FXAWDEMLSA-N 2 1 346.515 3.420 20 0 EGADMP Cc1noc(CCC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000638576043 461491314 /nfs/dbraw/zinc/49/13/14/461491314.db2.gz MGJPLUJGVNQBLB-IEBWSBKVSA-N 2 1 340.471 3.268 20 0 EGADMP Cc1noc(CCC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000638576043 461491323 /nfs/dbraw/zinc/49/13/23/461491323.db2.gz MGJPLUJGVNQBLB-IEBWSBKVSA-N 2 1 340.471 3.268 20 0 EGADMP COCCc1ncc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)s1 ZINC000631042039 461494536 /nfs/dbraw/zinc/49/45/36/461494536.db2.gz OHOPQHQOUVXILC-UHFFFAOYSA-N 2 1 347.528 3.462 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653108575 461504937 /nfs/dbraw/zinc/50/49/37/461504937.db2.gz AEAYUAKWXHEMCN-ZWKOTPCHSA-N 2 1 343.515 3.067 20 0 EGADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CCOCC1 ZINC000638722326 461548985 /nfs/dbraw/zinc/54/89/85/461548985.db2.gz QVDVGLAWPOWUAK-DUXKGJEZSA-N 2 1 346.515 3.071 20 0 EGADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CCOCC1 ZINC000638722326 461548989 /nfs/dbraw/zinc/54/89/89/461548989.db2.gz QVDVGLAWPOWUAK-DUXKGJEZSA-N 2 1 346.515 3.071 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]CC(C)(C)Oc2ccccc2)CC1 ZINC000638726261 461551446 /nfs/dbraw/zinc/55/14/46/461551446.db2.gz POTLFADSPPGFMS-UHFFFAOYSA-N 2 1 334.504 3.323 20 0 EGADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000631109603 461559094 /nfs/dbraw/zinc/55/90/94/461559094.db2.gz GDIWRRSODIVDKA-HXUWFJFHSA-N 2 1 342.458 3.381 20 0 EGADMP FC(F)(F)CCN1CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663343734 461571225 /nfs/dbraw/zinc/57/12/25/461571225.db2.gz CTTVALLGWROLNT-MRXNPFEDSA-N 2 1 347.469 3.115 20 0 EGADMP Fc1ccc(-n2cc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cn2)cc1 ZINC000663345398 461574243 /nfs/dbraw/zinc/57/42/43/461574243.db2.gz JYQANXODQJQRKF-QGZVFWFLSA-N 2 1 342.462 3.223 20 0 EGADMP Fc1ccc(-n2cc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cn2)cc1 ZINC000663345398 461574252 /nfs/dbraw/zinc/57/42/52/461574252.db2.gz JYQANXODQJQRKF-QGZVFWFLSA-N 2 1 342.462 3.223 20 0 EGADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638805476 461588376 /nfs/dbraw/zinc/58/83/76/461588376.db2.gz JACBTZNWDCNTTQ-QUCCMNQESA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638805476 461588383 /nfs/dbraw/zinc/58/83/83/461588383.db2.gz JACBTZNWDCNTTQ-QUCCMNQESA-N 2 1 343.515 3.106 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3cc(F)ccc3[C@H]2C)cc1 ZINC000643058188 461598720 /nfs/dbraw/zinc/59/87/20/461598720.db2.gz LKTKDSAWINFTGE-PBHICJAKSA-N 2 1 328.431 3.496 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3cc(F)ccc3[C@@H]2C)cc1 ZINC000643058190 461599342 /nfs/dbraw/zinc/59/93/42/461599342.db2.gz LKTKDSAWINFTGE-WMLDXEAASA-N 2 1 328.431 3.496 20 0 EGADMP Cc1cc(C)c(/C=C/C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1C ZINC000631176556 461616600 /nfs/dbraw/zinc/61/66/00/461616600.db2.gz AXEGUWLQTJTSGH-FNEOHHHZSA-N 2 1 328.500 3.468 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(CNc3[nH+]ccc4[nH]ccc43)c2)CCO1 ZINC000663427244 461635581 /nfs/dbraw/zinc/63/55/81/461635581.db2.gz ULCBVAZZCGYRTF-OAHLLOKOSA-N 2 1 336.439 3.396 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(CNc3[nH+]ccc4[nH]ccc43)c2)CCO1 ZINC000663427244 461635587 /nfs/dbraw/zinc/63/55/87/461635587.db2.gz ULCBVAZZCGYRTF-OAHLLOKOSA-N 2 1 336.439 3.396 20 0 EGADMP COCc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000631196850 461637415 /nfs/dbraw/zinc/63/74/15/461637415.db2.gz VTQHGBHKQMYJFO-AEFFLSMTSA-N 2 1 328.456 3.284 20 0 EGADMP COCc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000631196850 461637422 /nfs/dbraw/zinc/63/74/22/461637422.db2.gz VTQHGBHKQMYJFO-AEFFLSMTSA-N 2 1 328.456 3.284 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1-n1ccnn1 ZINC000663465540 461655259 /nfs/dbraw/zinc/65/52/59/461655259.db2.gz KJMOOWLHUIVQGI-FUHWJXTLSA-N 2 1 339.487 3.040 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000663470654 461659051 /nfs/dbraw/zinc/65/90/51/461659051.db2.gz VZYIDHJHEKQCAI-RDJZCZTQSA-N 2 1 341.499 3.344 20 0 EGADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469956 461659592 /nfs/dbraw/zinc/65/95/92/461659592.db2.gz RZQXGPYGQXHUQF-CTNGQTDRSA-N 2 1 348.506 3.485 20 0 EGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000660254844 461667408 /nfs/dbraw/zinc/66/74/08/461667408.db2.gz WTIPDHHXMWRUAS-MSOLQXFVSA-N 2 1 332.513 3.323 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000660254844 461667414 /nfs/dbraw/zinc/66/74/14/461667414.db2.gz WTIPDHHXMWRUAS-MSOLQXFVSA-N 2 1 332.513 3.323 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)[C@@H]1OC ZINC000639047622 461688744 /nfs/dbraw/zinc/68/87/44/461688744.db2.gz MAPBKMPIYVKAJS-PPQDBTBKSA-N 2 1 344.499 3.137 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)[C@@H]1OC ZINC000639047622 461688754 /nfs/dbraw/zinc/68/87/54/461688754.db2.gz MAPBKMPIYVKAJS-PPQDBTBKSA-N 2 1 344.499 3.137 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647496779 461734585 /nfs/dbraw/zinc/73/45/85/461734585.db2.gz QXKHAFACTXUGSZ-GOEBONIOSA-N 2 1 332.879 3.144 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647496779 461734593 /nfs/dbraw/zinc/73/45/93/461734593.db2.gz QXKHAFACTXUGSZ-GOEBONIOSA-N 2 1 332.879 3.144 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)CC[C@@H]1[NH3+] ZINC000647498616 461735605 /nfs/dbraw/zinc/73/56/05/461735605.db2.gz LEHZFYNAVSHAEX-PBHICJAKSA-N 2 1 338.455 3.393 20 0 EGADMP COc1cc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000639118751 461738963 /nfs/dbraw/zinc/73/89/63/461738963.db2.gz QNUZPCDYKKQGRO-PXNSSMCTSA-N 2 1 339.483 3.133 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000643480243 461743579 /nfs/dbraw/zinc/74/35/79/461743579.db2.gz KMXHTYNCVIKFHP-BURNTYAHSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@H]4CCC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000643480243 461743585 /nfs/dbraw/zinc/74/35/85/461743585.db2.gz KMXHTYNCVIKFHP-BURNTYAHSA-N 2 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@H]4CCC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000643480243 461743587 /nfs/dbraw/zinc/74/35/87/461743587.db2.gz KMXHTYNCVIKFHP-BURNTYAHSA-N 2 1 327.516 3.019 20 0 EGADMP Fc1cccc(COc2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC000647535413 461752264 /nfs/dbraw/zinc/75/22/64/461752264.db2.gz JSMXCVRSXKZMJY-HDICACEKSA-N 2 1 326.415 3.056 20 0 EGADMP Fc1cccc(COc2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC000647535413 461752272 /nfs/dbraw/zinc/75/22/72/461752272.db2.gz JSMXCVRSXKZMJY-HDICACEKSA-N 2 1 326.415 3.056 20 0 EGADMP Clc1ccc2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cn2c1 ZINC000647542709 461755357 /nfs/dbraw/zinc/75/53/57/461755357.db2.gz AMQSPWQDBZZSNA-CABCVRRESA-N 2 1 332.879 3.199 20 0 EGADMP FC(F)(F)c1cccnc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542825 461757170 /nfs/dbraw/zinc/75/71/70/461757170.db2.gz CMOQXRADQWKDHI-KBPBESRZSA-N 2 1 327.394 3.312 20 0 EGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543815 461760331 /nfs/dbraw/zinc/76/03/31/461760331.db2.gz SJUGMXZJWAVHKP-ROUUACIJSA-N 2 1 332.488 3.306 20 0 EGADMP Cc1c[nH+]ccc1OC1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000660432526 461774593 /nfs/dbraw/zinc/77/45/93/461774593.db2.gz ZIYPNACHDLQMMM-IAGOWNOFSA-N 2 1 331.504 3.211 20 0 EGADMP Fc1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000660435158 461776748 /nfs/dbraw/zinc/77/67/48/461776748.db2.gz LGULZCQVTCGEIT-OAHLLOKOSA-N 2 1 338.329 3.475 20 0 EGADMP Fc1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000660435158 461776755 /nfs/dbraw/zinc/77/67/55/461776755.db2.gz LGULZCQVTCGEIT-OAHLLOKOSA-N 2 1 338.329 3.475 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647786711 461834791 /nfs/dbraw/zinc/83/47/91/461834791.db2.gz XCTBRLBUWLQZDE-RDPOXOKHSA-N 3 1 327.516 3.190 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000647794213 461838187 /nfs/dbraw/zinc/83/81/87/461838187.db2.gz UNCDDEBXWGUHRP-ZQOQTTQJSA-N 3 1 341.543 3.265 20 0 EGADMP CCc1csc(CC2CC[NH+](CCCc3c[nH+]cn3C)CC2)n1 ZINC000653804196 461866662 /nfs/dbraw/zinc/86/66/62/461866662.db2.gz JSVJKOOKBOGIIJ-UHFFFAOYSA-N 2 1 332.517 3.326 20 0 EGADMP C[N@@H+](CCOc1ccc(OCc2ccccc2)cc1)C[C@H]1CC[NH2+]C1 ZINC000647885642 461870037 /nfs/dbraw/zinc/87/00/37/461870037.db2.gz ADXPGJZNAJYFAU-IBGZPJMESA-N 2 1 340.467 3.186 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)sn1 ZINC000639358733 461882711 /nfs/dbraw/zinc/88/27/11/461882711.db2.gz ARXFZPYJLNBOIB-GDBMZVCRSA-N 2 1 331.485 3.009 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)sn1 ZINC000639358733 461882717 /nfs/dbraw/zinc/88/27/17/461882717.db2.gz ARXFZPYJLNBOIB-GDBMZVCRSA-N 2 1 331.485 3.009 20 0 EGADMP COc1cc(C[NH2+]CC2([NH3+])CCCC2)ccc1OCc1ccncc1 ZINC000656789695 461899034 /nfs/dbraw/zinc/89/90/34/461899034.db2.gz VSGTZDUBZPUESQ-UHFFFAOYSA-N 2 1 341.455 3.030 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cnc(C4CCC4)s3)C2)C1 ZINC000650707595 461901035 /nfs/dbraw/zinc/90/10/35/461901035.db2.gz JCVVBBNARAAOOD-UXLLHSPISA-N 2 1 335.517 3.129 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCCCCOc3ccccc3)C2)C1 ZINC000650707695 461902021 /nfs/dbraw/zinc/90/20/21/461902021.db2.gz KYLYLLAGWSORIN-SFHLNBCPSA-N 2 1 346.515 3.454 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@H](C)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660655095 461905549 /nfs/dbraw/zinc/90/55/49/461905549.db2.gz KKRKJHYYSJJZQK-PXNSSMCTSA-N 2 1 329.488 3.048 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722637 461913802 /nfs/dbraw/zinc/91/38/02/461913802.db2.gz YMIQPWOUKMKZRJ-DFQSSKMNSA-N 2 1 332.488 3.336 20 0 EGADMP COc1ccccc1/C=C\C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723079 461914745 /nfs/dbraw/zinc/91/47/45/461914745.db2.gz HFRGMAMEENWQQW-GZQXFPGYSA-N 2 1 330.472 3.069 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C/C=C/c2ccc(F)cc2F)C1 ZINC000650723742 461916560 /nfs/dbraw/zinc/91/65/60/461916560.db2.gz SNSMWAKYZCOYSG-RBLOLEQCSA-N 2 1 336.426 3.339 20 0 EGADMP CSc1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647975267 461917103 /nfs/dbraw/zinc/91/71/03/461917103.db2.gz SZQVYNPEKOEXHF-JKSUJKDBSA-N 2 1 347.528 3.059 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975084 461917702 /nfs/dbraw/zinc/91/77/02/461917702.db2.gz KENVEPBFIDZIHL-HZPDHXFCSA-N 2 1 349.906 3.299 20 0 EGADMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000647976511 461918187 /nfs/dbraw/zinc/91/81/87/461918187.db2.gz POXDCDIQEQYEES-JKSUJKDBSA-N 2 1 349.906 3.380 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647977334 461919290 /nfs/dbraw/zinc/91/92/90/461919290.db2.gz AAGYQOHCLXNMRH-GBESFXJTSA-N 2 1 343.515 3.342 20 0 EGADMP c1csc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647976749 461919548 /nfs/dbraw/zinc/91/95/48/461919548.db2.gz SZVPSVATACJKMM-KGLIPLIRSA-N 2 1 332.473 3.010 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)o1 ZINC000648010767 461938687 /nfs/dbraw/zinc/93/86/87/461938687.db2.gz ROFOKAOCQOLEFQ-KRWDZBQOSA-N 2 1 330.476 3.295 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)o1 ZINC000648010767 461938691 /nfs/dbraw/zinc/93/86/91/461938691.db2.gz ROFOKAOCQOLEFQ-KRWDZBQOSA-N 2 1 330.476 3.295 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)o1 ZINC000648010767 461938696 /nfs/dbraw/zinc/93/86/96/461938696.db2.gz ROFOKAOCQOLEFQ-KRWDZBQOSA-N 2 1 330.476 3.295 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)o1 ZINC000648010767 461938702 /nfs/dbraw/zinc/93/87/02/461938702.db2.gz ROFOKAOCQOLEFQ-KRWDZBQOSA-N 2 1 330.476 3.295 20 0 EGADMP COCc1ccccc1/C=C(/C)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072164 461969118 /nfs/dbraw/zinc/96/91/18/461969118.db2.gz PJXWMMJROUPXFU-JXAWBTAJSA-N 2 1 344.499 3.033 20 0 EGADMP COCc1ccccc1/C=C(/C)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072164 461969126 /nfs/dbraw/zinc/96/91/26/461969126.db2.gz PJXWMMJROUPXFU-JXAWBTAJSA-N 2 1 344.499 3.033 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182715 461983453 /nfs/dbraw/zinc/98/34/53/461983453.db2.gz LVPCKZVBABFSJX-UXHICEINSA-N 2 1 329.532 3.361 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000657348301 462063097 /nfs/dbraw/zinc/06/30/97/462063097.db2.gz QXWAATFMLHKYRJ-MJGOQNOKSA-N 2 1 334.504 3.310 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cncc(Br)c1C ZINC000657373984 462079937 /nfs/dbraw/zinc/07/99/37/462079937.db2.gz CFUWYRPQSRGPEV-UHFFFAOYSA-N 2 1 337.265 3.227 20 0 EGADMP CC[N@@H+](CCCNC(=O)N[C@H]1C[C@H](C)n2ccnc21)C1CCCCC1 ZINC000651138362 462102636 /nfs/dbraw/zinc/10/26/36/462102636.db2.gz FUKCSFPGGVPBEJ-RDJZCZTQSA-N 2 1 347.507 3.233 20 0 EGADMP Cc1cccc2[nH]c(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)cc21 ZINC000657433436 462119975 /nfs/dbraw/zinc/11/99/75/462119975.db2.gz XCBJYCMXFCUIOW-HXUWFJFHSA-N 2 1 349.478 3.333 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)ncn1 ZINC000651280118 462163575 /nfs/dbraw/zinc/16/35/75/462163575.db2.gz MWKSPGAFVDDZLY-HBMCJLEFSA-N 2 1 336.483 3.318 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)ncn1 ZINC000651280118 462163581 /nfs/dbraw/zinc/16/35/81/462163581.db2.gz MWKSPGAFVDDZLY-HBMCJLEFSA-N 2 1 336.483 3.318 20 0 EGADMP CCn1nccc1[C@@H]1OCCC[C@H]1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000667666640 462201356 /nfs/dbraw/zinc/20/13/56/462201356.db2.gz SXLBVUSAFMNEJP-DOADOZAASA-N 2 1 348.535 3.033 20 0 EGADMP CCn1nccc1[C@@H]1OCCC[C@H]1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000667666640 462201359 /nfs/dbraw/zinc/20/13/59/462201359.db2.gz SXLBVUSAFMNEJP-DOADOZAASA-N 2 1 348.535 3.033 20 0 EGADMP CCn1nccc1[C@@H]1OCCC[C@H]1C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000667666640 462201362 /nfs/dbraw/zinc/20/13/62/462201362.db2.gz SXLBVUSAFMNEJP-DOADOZAASA-N 2 1 348.535 3.033 20 0 EGADMP COc1cncc(/C=C\CC[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000639983599 462204205 /nfs/dbraw/zinc/20/42/05/462204205.db2.gz KKCAXUZIEZPYMD-CLTKARDFSA-N 2 1 329.488 3.444 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667727968 462233619 /nfs/dbraw/zinc/23/36/19/462233619.db2.gz LOVYPDYJPYATSB-SJLPKXTDSA-N 2 1 344.503 3.264 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667727969 462233660 /nfs/dbraw/zinc/23/36/60/462233660.db2.gz LOVYPDYJPYATSB-WMZOPIPTSA-N 2 1 344.503 3.264 20 0 EGADMP COCCc1ccc(OC[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000667806470 462271068 /nfs/dbraw/zinc/27/10/68/462271068.db2.gz JRBLSSNUHGXOBW-QGZVFWFLSA-N 2 1 346.515 3.249 20 0 EGADMP COC1([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CCC1 ZINC000657826956 462286406 /nfs/dbraw/zinc/28/64/06/462286406.db2.gz JVINNZLJLDWGAP-FGTMMUONSA-N 2 1 346.515 3.343 20 0 EGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000651673073 462299415 /nfs/dbraw/zinc/29/94/15/462299415.db2.gz VMINXRMZGMDJPK-INIZCTEOSA-N 2 1 337.471 3.420 20 0 EGADMP COc1cc(OC)c(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1F ZINC000651678346 462300017 /nfs/dbraw/zinc/30/00/17/462300017.db2.gz MEOLAPYYWXFLIG-OAHLLOKOSA-N 2 1 338.467 3.445 20 0 EGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000651808338 462343435 /nfs/dbraw/zinc/34/34/35/462343435.db2.gz NKTFKFYMCBDQBD-GOSISDBHSA-N 2 1 326.488 3.309 20 0 EGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000651808338 462343439 /nfs/dbraw/zinc/34/34/39/462343439.db2.gz NKTFKFYMCBDQBD-GOSISDBHSA-N 2 1 326.488 3.309 20 0 EGADMP C[N@@H+]1C[C@H]2CN(Cc3cc4cc(Br)ccc4o3)C[C@H]2C1 ZINC000668077035 462406365 /nfs/dbraw/zinc/40/63/65/462406365.db2.gz CCZQJYCKVQRLEO-BETUJISGSA-N 2 1 335.245 3.189 20 0 EGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cc4cc(Br)ccc4o3)C[C@@H]2C1 ZINC000668077035 462406369 /nfs/dbraw/zinc/40/63/69/462406369.db2.gz CCZQJYCKVQRLEO-BETUJISGSA-N 2 1 335.245 3.189 20 0 EGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc4cc(Br)ccc4o3)C[C@@H]2C1 ZINC000668077035 462406374 /nfs/dbraw/zinc/40/63/74/462406374.db2.gz CCZQJYCKVQRLEO-BETUJISGSA-N 2 1 335.245 3.189 20 0 EGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc4cc(Br)ccc4o3)C[C@@H]2C1 ZINC000668077035 462406379 /nfs/dbraw/zinc/40/63/79/462406379.db2.gz CCZQJYCKVQRLEO-BETUJISGSA-N 2 1 335.245 3.189 20 0 EGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cc4cc(Br)ccc4o3)C[C@@H]2C1 ZINC000668077035 462406381 /nfs/dbraw/zinc/40/63/81/462406381.db2.gz CCZQJYCKVQRLEO-BETUJISGSA-N 2 1 335.245 3.189 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C)cc(F)c3)CC2)CC1 ZINC000654928200 462424656 /nfs/dbraw/zinc/42/46/56/462424656.db2.gz BNIJYYRHXFTVFX-UHFFFAOYSA-N 2 1 347.478 3.269 20 0 EGADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2c(C3CC3)cnn2C)CC1 ZINC000658212341 462431821 /nfs/dbraw/zinc/43/18/21/462431821.db2.gz HKXDYKPAOMSHKC-KXBFYZLASA-N 2 1 330.520 3.430 20 0 EGADMP Cc1cccc(C)c1NC(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533217 462432036 /nfs/dbraw/zinc/43/20/36/462432036.db2.gz POKTVSNFEXPMTC-UHFFFAOYSA-N 2 1 331.504 3.440 20 0 EGADMP Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533217 462432039 /nfs/dbraw/zinc/43/20/39/462432039.db2.gz POKTVSNFEXPMTC-UHFFFAOYSA-N 2 1 331.504 3.440 20 0 EGADMP CO[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000649301804 462472953 /nfs/dbraw/zinc/47/29/53/462472953.db2.gz GAHHMQIWBMGMCK-UXHICEINSA-N 2 1 339.483 3.382 20 0 EGADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000649301804 462472957 /nfs/dbraw/zinc/47/29/57/462472957.db2.gz GAHHMQIWBMGMCK-UXHICEINSA-N 2 1 339.483 3.382 20 0 EGADMP CC(C)([NH3+])CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000649328840 462479290 /nfs/dbraw/zinc/47/92/90/462479290.db2.gz LKZJSQHRCYKQRC-NRFANRHFSA-N 2 1 343.515 3.019 20 0 EGADMP Cc1cc(C)n(CC[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000649416795 462503242 /nfs/dbraw/zinc/50/32/42/462503242.db2.gz LYTWPGCMDQMACG-RTWAWAEBSA-N 2 1 340.515 3.172 20 0 EGADMP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-c4cccs4)cc3)CC2)C1 ZINC000662151448 462532057 /nfs/dbraw/zinc/53/20/57/462532057.db2.gz HPTQFYRQGKJOCA-IBGZPJMESA-N 2 1 342.508 3.446 20 0 EGADMP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-c4cccs4)cc3)CC2)C1 ZINC000662151448 462532058 /nfs/dbraw/zinc/53/20/58/462532058.db2.gz HPTQFYRQGKJOCA-IBGZPJMESA-N 2 1 342.508 3.446 20 0 EGADMP Cn1c2ccccc2[nH+]c1NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000536500328 478253076 /nfs/dbraw/zinc/25/30/76/478253076.db2.gz JRMJUAXUAXOVOS-UHFFFAOYSA-N 2 1 338.455 3.168 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)ccc2o1 ZINC000178637148 533939680 /nfs/dbraw/zinc/93/96/80/533939680.db2.gz UEUOXEAMAQNYQZ-RDJZCZTQSA-N 2 1 342.439 3.136 20 0 EGADMP COC(=O)c1cc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)ccc2o1 ZINC000178637148 533939688 /nfs/dbraw/zinc/93/96/88/533939688.db2.gz UEUOXEAMAQNYQZ-RDJZCZTQSA-N 2 1 342.439 3.136 20 0 EGADMP COC(=O)c1cc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)ccc2o1 ZINC000178637148 533939695 /nfs/dbraw/zinc/93/96/95/533939695.db2.gz UEUOXEAMAQNYQZ-RDJZCZTQSA-N 2 1 342.439 3.136 20 0 EGADMP CC[N@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)[C@H](C)C1 ZINC000132091282 527811320 /nfs/dbraw/zinc/81/13/20/527811320.db2.gz USNPXXGFSSFRAD-DYESRHJHSA-N 2 1 345.531 3.033 20 0 EGADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)c1cccc(OC)c1 ZINC000191459322 528452210 /nfs/dbraw/zinc/45/22/10/528452210.db2.gz UHVCTJGLDTZPER-IBGZPJMESA-N 2 1 347.547 3.494 20 0 EGADMP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000177877482 528550632 /nfs/dbraw/zinc/55/06/32/528550632.db2.gz APGULFRXZKTHLX-FRQCXROJSA-N 2 1 331.504 3.035 20 0 EGADMP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000175164323 528803310 /nfs/dbraw/zinc/80/33/10/528803310.db2.gz YVGKJBDKKFCURX-GOSISDBHSA-N 2 1 345.531 3.086 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3c2cnn3C)c1 ZINC000177980257 528835427 /nfs/dbraw/zinc/83/54/27/528835427.db2.gz ZLBGCPPGFCPUCQ-LJQANCHMSA-N 2 1 326.488 3.428 20 0 EGADMP C[NH+](C)CCOC1CC[NH+](Cc2sccc2Br)CC1 ZINC000351827838 535892996 /nfs/dbraw/zinc/89/29/96/535892996.db2.gz RPKXJRHITJWXAZ-UHFFFAOYSA-N 2 1 347.322 3.053 20 0 EGADMP COC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CCOCC1 ZINC000188025079 536716110 /nfs/dbraw/zinc/71/61/10/536716110.db2.gz PXMIGUWNDYUTJF-LAUBAEHRSA-N 2 1 346.515 3.243 20 0 EGADMP OCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000248445669 547299151 /nfs/dbraw/zinc/29/91/51/547299151.db2.gz CESUCOOTVHRDNV-VAMGGRTRSA-N 2 1 328.500 3.039 20 0 EGADMP Cc1cccc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)n1 ZINC000280672833 547373559 /nfs/dbraw/zinc/37/35/59/547373559.db2.gz UKILTVLCLKDVMU-UHFFFAOYSA-N 2 1 341.474 3.368 20 0 EGADMP c1cc(N2CCCCCC2)ncc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339066704 547568889 /nfs/dbraw/zinc/56/88/89/547568889.db2.gz DKRMHDUQRNARCD-OALUTQOASA-N 2 1 328.504 3.178 20 0 EGADMP c1cc(N2CCCCCC2)ncc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339066704 547568892 /nfs/dbraw/zinc/56/88/92/547568892.db2.gz DKRMHDUQRNARCD-OALUTQOASA-N 2 1 328.504 3.178 20 0 EGADMP COC[C@@H]1CCCC[N@@H+](CC[C@@H](C)[NH+]2CCCC[C@H](COC)C2)C1 ZINC000342572997 547596279 /nfs/dbraw/zinc/59/62/79/547596279.db2.gz UBBBDRDTJUMPEO-AQNXPRMDSA-N 2 1 340.552 3.262 20 0 EGADMP COC[C@@H]1CCCC[NH+](CC[C@@H](C)[N@@H+]2CCCC[C@H](COC)C2)C1 ZINC000342572997 547596283 /nfs/dbraw/zinc/59/62/83/547596283.db2.gz UBBBDRDTJUMPEO-AQNXPRMDSA-N 2 1 340.552 3.262 20 0 EGADMP COC[C@@H]1CCCC[NH+](CC[C@@H](C)[N@H+]2CCCC[C@H](COC)C2)C1 ZINC000342572997 547596286 /nfs/dbraw/zinc/59/62/86/547596286.db2.gz UBBBDRDTJUMPEO-AQNXPRMDSA-N 2 1 340.552 3.262 20 0 EGADMP C[C@H]1[NH+](CCCCC[N@H+]2CCOC(C)(C)[C@H]2C)CCOC1(C)C ZINC000357649089 547739083 /nfs/dbraw/zinc/73/90/83/547739083.db2.gz ISUPCVNKBYYTTF-IAGOWNOFSA-N 2 1 326.525 3.155 20 0 EGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000414294731 547854864 /nfs/dbraw/zinc/85/48/64/547854864.db2.gz DUYIDJVXMMIAIG-OWLYRPNTSA-N 2 1 338.442 3.178 20 0 EGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000414294731 547854867 /nfs/dbraw/zinc/85/48/67/547854867.db2.gz DUYIDJVXMMIAIG-OWLYRPNTSA-N 2 1 338.442 3.178 20 0 EGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C1CCC(C(F)(F)F)CC1 ZINC000442891836 547917200 /nfs/dbraw/zinc/91/72/00/547917200.db2.gz SXTGQUMBULDSQG-QQFBHYJXSA-N 2 1 349.485 3.359 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Br)C1 ZINC000673600336 548580407 /nfs/dbraw/zinc/58/04/07/548580407.db2.gz DCXOEKPNNDSPFY-CHWSQXEVSA-N 2 1 343.284 3.451 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3[nH]2)[C@@H](C)C1 ZINC000675789729 548981922 /nfs/dbraw/zinc/98/19/22/548981922.db2.gz JWYWLJHVLGIIRQ-LPHOPBHVSA-N 2 1 329.488 3.395 20 0 EGADMP c1ccc2c(c1)OCC[C@H]2C[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000676902403 549177015 /nfs/dbraw/zinc/17/70/15/549177015.db2.gz QQMUTFSRYIWBGM-SFHVURJKSA-N 2 1 344.499 3.177 20 0 EGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC2(C)CCCCC2)CC1 ZINC000677051783 549198740 /nfs/dbraw/zinc/19/87/40/549198740.db2.gz QGZKPOAPPWTOSV-UHFFFAOYSA-N 2 1 330.476 3.132 20 0 EGADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(CO)o2)C[N@H+]1Cc1ccccc1 ZINC000677129215 549214270 /nfs/dbraw/zinc/21/42/70/549214270.db2.gz OEXNWTRUTCDFDN-FUHWJXTLSA-N 2 1 328.456 3.162 20 0 EGADMP FC(F)(F)Oc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677236860 549235005 /nfs/dbraw/zinc/23/50/05/549235005.db2.gz KHRHDFADQJRUPJ-GJZGRUSLSA-N 2 1 328.378 3.344 20 0 EGADMP CC1(C)C[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000677748085 549325428 /nfs/dbraw/zinc/32/54/28/549325428.db2.gz DTWYQXJEBZYXSZ-AABGKKOBSA-N 2 1 327.516 3.256 20 0 EGADMP CC1(C)C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC000677748085 549325431 /nfs/dbraw/zinc/32/54/31/549325431.db2.gz DTWYQXJEBZYXSZ-AABGKKOBSA-N 2 1 327.516 3.256 20 0 EGADMP CC1(C)C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC000677748085 549325435 /nfs/dbraw/zinc/32/54/35/549325435.db2.gz DTWYQXJEBZYXSZ-AABGKKOBSA-N 2 1 327.516 3.256 20 0 EGADMP COc1cccc(C[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000678121616 549400256 /nfs/dbraw/zinc/40/02/56/549400256.db2.gz XBKAAEMNUYLBOR-UHFFFAOYSA-N 2 1 328.456 3.268 20 0 EGADMP CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000678276380 549456103 /nfs/dbraw/zinc/45/61/03/549456103.db2.gz HHDBCQWQOVITLX-MOPGFXCFSA-N 2 1 334.504 3.262 20 0 EGADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678340500 549473128 /nfs/dbraw/zinc/47/31/28/549473128.db2.gz YYZSGGLQBVTERZ-FQEVSTJZSA-N 2 1 342.487 3.006 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCCc2cccc(Br)c2)CC[N@H+]1C ZINC000678583781 549524331 /nfs/dbraw/zinc/52/43/31/549524331.db2.gz CQABCUVBOOBTRQ-BBRMVZONSA-N 2 1 325.294 3.454 20 0 EGADMP C[C@H]1COc2ccccc2C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000680000994 549803519 /nfs/dbraw/zinc/80/35/19/549803519.db2.gz SLSVPGPZDBKTAY-KRWDZBQOSA-N 2 1 340.467 3.410 20 0 EGADMP COc1cccc2c1CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC000680001012 549804212 /nfs/dbraw/zinc/80/42/12/549804212.db2.gz HMLFUFMXEXQTMC-UHFFFAOYSA-N 2 1 340.467 3.194 20 0 EGADMP COc1ccc(COCC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000680401249 549862708 /nfs/dbraw/zinc/86/27/08/549862708.db2.gz LSIZWMJTUVNMIF-IEBWSBKVSA-N 2 1 346.515 3.454 20 0 EGADMP C[C@H](Cc1ccsc1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681756043 550033280 /nfs/dbraw/zinc/03/32/80/550033280.db2.gz XEZKPQZNVHQKAK-XLIONFOSSA-N 2 1 344.524 3.248 20 0 EGADMP C[C@H](Cc1ccsc1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681756043 550033282 /nfs/dbraw/zinc/03/32/82/550033282.db2.gz XEZKPQZNVHQKAK-XLIONFOSSA-N 2 1 344.524 3.248 20 0 EGADMP C[C@H](Cc1ccsc1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681756043 550033284 /nfs/dbraw/zinc/03/32/84/550033284.db2.gz XEZKPQZNVHQKAK-XLIONFOSSA-N 2 1 344.524 3.248 20 0 EGADMP C[C@H](Cc1ccsc1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681756043 550033285 /nfs/dbraw/zinc/03/32/85/550033285.db2.gz XEZKPQZNVHQKAK-XLIONFOSSA-N 2 1 344.524 3.248 20 0 EGADMP C[N@@H+](CCc1nc(C2C[C@H]3CC[C@@H](C2)[NH+]3C)no1)C1CCCCC1 ZINC000685325674 550410922 /nfs/dbraw/zinc/41/09/22/550410922.db2.gz LINWFKJLOOQAQQ-ZXFUBFMLSA-N 2 1 332.492 3.217 20 0 EGADMP C[NH+](CCc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1)C1CCCCC1 ZINC000685325674 550410925 /nfs/dbraw/zinc/41/09/25/550410925.db2.gz LINWFKJLOOQAQQ-ZXFUBFMLSA-N 2 1 332.492 3.217 20 0 EGADMP C[NH+](CCc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1)C1CCCCC1 ZINC000685325674 550410927 /nfs/dbraw/zinc/41/09/27/550410927.db2.gz LINWFKJLOOQAQQ-ZXFUBFMLSA-N 2 1 332.492 3.217 20 0 EGADMP O[C@@H](C[N@H+](Cc1ccc(F)cc1)C1CCCCC1)C[NH+]1CCCC1 ZINC000726068373 574538541 /nfs/dbraw/zinc/53/85/41/574538541.db2.gz WDEFXCBHJUFSLJ-HXUWFJFHSA-N 2 1 334.479 3.417 20 0 EGADMP O[C@@H](C[N@@H+](Cc1ccc(F)cc1)C1CCCCC1)C[NH+]1CCCC1 ZINC000726068373 574538544 /nfs/dbraw/zinc/53/85/44/574538544.db2.gz WDEFXCBHJUFSLJ-HXUWFJFHSA-N 2 1 334.479 3.417 20 0 EGADMP COc1cccc(C[NH+]2CCC(Nc3[nH+]cnc4[nH]ccc43)CC2)c1 ZINC000726967744 574623817 /nfs/dbraw/zinc/62/38/17/574623817.db2.gz VHIKIYYBXWVRHA-UHFFFAOYSA-N 2 1 337.427 3.043 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=S)NCC(C)(C)C[NH+](C)C)c2C1 ZINC000727289271 574659031 /nfs/dbraw/zinc/65/90/31/574659031.db2.gz DDCFNPFTYTZIAG-UHFFFAOYSA-N 2 1 348.560 3.286 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=S)NCC(C)(C)C[NH+](C)C)c2C1 ZINC000727289271 574659033 /nfs/dbraw/zinc/65/90/33/574659033.db2.gz DDCFNPFTYTZIAG-UHFFFAOYSA-N 2 1 348.560 3.286 20 0 EGADMP CCCOC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000741781006 575409630 /nfs/dbraw/zinc/40/96/30/575409630.db2.gz XSFVBPNDUWIMIT-QGZVFWFLSA-N 2 1 332.488 3.172 20 0 EGADMP CCCOC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000741781006 575409633 /nfs/dbraw/zinc/40/96/33/575409633.db2.gz XSFVBPNDUWIMIT-QGZVFWFLSA-N 2 1 332.488 3.172 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895299303 1309275561 /nfs/dbraw/zinc/27/55/61/1309275561.db2.gz IWMXSVFUUHGMRZ-GFCCVEGCSA-N 2 1 336.430 3.197 20 0 EGADMP COc1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc(OC)c1 ZINC000063319903 1292006673 /nfs/dbraw/zinc/00/66/73/1292006673.db2.gz VXFRBHMPIGZDPA-UHFFFAOYSA-N 2 1 332.488 3.448 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(F)c(F)c3)c2)CCO1 ZINC000063524632 1292014218 /nfs/dbraw/zinc/01/42/18/1292014218.db2.gz KYXSTPUMVLIWLB-HNNXBMFYSA-N 2 1 346.421 3.475 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(F)c(F)c3)c2)CCO1 ZINC000063524632 1292014228 /nfs/dbraw/zinc/01/42/28/1292014228.db2.gz KYXSTPUMVLIWLB-HNNXBMFYSA-N 2 1 346.421 3.475 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000067668417 1292166402 /nfs/dbraw/zinc/16/64/02/1292166402.db2.gz QTUHKEKLAJPRPY-UHFFFAOYSA-N 2 1 349.482 3.397 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(OC)c2OC(F)F)C1 ZINC000069160452 1292234220 /nfs/dbraw/zinc/23/42/20/1292234220.db2.gz HIWCNNSPROYVIB-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(OC)c2OC(F)F)C1 ZINC000069160452 1292234226 /nfs/dbraw/zinc/23/42/26/1292234226.db2.gz HIWCNNSPROYVIB-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH3+])c2)[C@H]1c1cccs1 ZINC000830384008 1292714611 /nfs/dbraw/zinc/71/46/11/1292714611.db2.gz ZDIFYBSYVGMXIO-AEFFLSMTSA-N 2 1 343.496 3.020 20 0 EGADMP CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)C1 ZINC000096628400 1292951244 /nfs/dbraw/zinc/95/12/44/1292951244.db2.gz KIKWQDYWQANBQG-OAHLLOKOSA-N 2 1 337.895 3.462 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)C1 ZINC000096628400 1292951254 /nfs/dbraw/zinc/95/12/54/1292951254.db2.gz KIKWQDYWQANBQG-OAHLLOKOSA-N 2 1 337.895 3.462 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(-n3cncn3)cc2)c1 ZINC000105449252 1293037750 /nfs/dbraw/zinc/03/77/50/1293037750.db2.gz YBEFFXBOCGSJFL-UHFFFAOYSA-N 2 1 335.455 3.009 20 0 EGADMP CC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)OCCO1 ZINC000834765041 1293143998 /nfs/dbraw/zinc/14/39/98/1293143998.db2.gz JKBUJSKOXLGIGB-ZCNNSNEGSA-N 2 1 344.499 3.172 20 0 EGADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)cc(Cl)c1OC ZINC000120784645 1293338365 /nfs/dbraw/zinc/33/83/65/1293338365.db2.gz IRPORRVTILQMJQ-CYBMUJFWSA-N 2 1 326.868 3.179 20 0 EGADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc(Cl)c1OC ZINC000120784645 1293338373 /nfs/dbraw/zinc/33/83/73/1293338373.db2.gz IRPORRVTILQMJQ-CYBMUJFWSA-N 2 1 326.868 3.179 20 0 EGADMP Cc1ccsc1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000121183709 1293359525 /nfs/dbraw/zinc/35/95/25/1293359525.db2.gz XIJKIGKIXFSQBG-UHFFFAOYSA-N 2 1 329.513 3.094 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000121803484 1293390154 /nfs/dbraw/zinc/39/01/54/1293390154.db2.gz JLJKQNUILPOBBB-ROUUACIJSA-N 2 1 333.520 3.010 20 0 EGADMP CC[N@@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000121803484 1293390158 /nfs/dbraw/zinc/39/01/58/1293390158.db2.gz JLJKQNUILPOBBB-ROUUACIJSA-N 2 1 333.520 3.010 20 0 EGADMP CC[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000121803484 1293390167 /nfs/dbraw/zinc/39/01/67/1293390167.db2.gz JLJKQNUILPOBBB-ROUUACIJSA-N 2 1 333.520 3.010 20 0 EGADMP CCN1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000121803484 1293390175 /nfs/dbraw/zinc/39/01/75/1293390175.db2.gz JLJKQNUILPOBBB-ROUUACIJSA-N 2 1 333.520 3.010 20 0 EGADMP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000153385236 1294011477 /nfs/dbraw/zinc/01/14/77/1294011477.db2.gz WVZUTCHMLCNCNP-GJZGRUSLSA-N 2 1 335.448 3.376 20 0 EGADMP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000153385236 1294011483 /nfs/dbraw/zinc/01/14/83/1294011483.db2.gz WVZUTCHMLCNCNP-GJZGRUSLSA-N 2 1 335.448 3.376 20 0 EGADMP Cc1nn(C)cc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000160224703 1294262916 /nfs/dbraw/zinc/26/29/16/1294262916.db2.gz JQYPQHHKFNDRSR-CALCHBBNSA-N 2 1 340.515 3.496 20 0 EGADMP Fc1cc(-c2ccncc2)ccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000162572278 1294317457 /nfs/dbraw/zinc/31/74/57/1294317457.db2.gz YTVHLOUDGIDMMQ-HNNXBMFYSA-N 2 1 325.431 3.462 20 0 EGADMP Fc1cc(-c2ccncc2)ccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000162572278 1294317462 /nfs/dbraw/zinc/31/74/62/1294317462.db2.gz YTVHLOUDGIDMMQ-HNNXBMFYSA-N 2 1 325.431 3.462 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000164591772 1294349644 /nfs/dbraw/zinc/34/96/44/1294349644.db2.gz OMZXYDYZAABAJF-DBVUQKKJSA-N 2 1 343.515 3.195 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000168512642 1294368135 /nfs/dbraw/zinc/36/81/35/1294368135.db2.gz UYHVGQPFFFMGHO-AFYVEPGGSA-N 2 1 343.515 3.015 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Br)cc1O ZINC000184899807 1295228310 /nfs/dbraw/zinc/22/83/10/1295228310.db2.gz CGNHZFZWMVKTSE-GFCCVEGCSA-N 2 1 327.266 3.291 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000190193571 1295566111 /nfs/dbraw/zinc/56/61/11/1295566111.db2.gz WLVPGUCYCIDCPX-UHFFFAOYSA-N 2 1 338.536 3.364 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)cc2)C1 ZINC000870866093 1296121547 /nfs/dbraw/zinc/12/15/47/1296121547.db2.gz MZPYCHCEMLCLBZ-VDGAXYAQSA-N 2 1 343.515 3.052 20 0 EGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000217704934 1296122675 /nfs/dbraw/zinc/12/26/75/1296122675.db2.gz FSQYJKSIFXXWOW-HZPDHXFCSA-N 2 1 327.513 3.144 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000217704934 1296122681 /nfs/dbraw/zinc/12/26/81/1296122681.db2.gz FSQYJKSIFXXWOW-HZPDHXFCSA-N 2 1 327.513 3.144 20 0 EGADMP COCC[NH+]1CCC([NH2+]Cc2cc(C)c(OC(F)F)c(C)c2)CC1 ZINC000237106275 1296221003 /nfs/dbraw/zinc/22/10/03/1296221003.db2.gz DVOKSJKURJNWRI-UHFFFAOYSA-N 2 1 342.430 3.105 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)[C@@H](C)C1 ZINC000247269668 1296386869 /nfs/dbraw/zinc/38/68/69/1296386869.db2.gz YALDVUMTFPPRAJ-FNHZYXHNSA-N 2 1 349.906 3.495 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)[C@@H](C)C1 ZINC000247269668 1296386879 /nfs/dbraw/zinc/38/68/79/1296386879.db2.gz YALDVUMTFPPRAJ-FNHZYXHNSA-N 2 1 349.906 3.495 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)[C@@H](C)C1 ZINC000247269668 1296386896 /nfs/dbraw/zinc/38/68/96/1296386896.db2.gz YALDVUMTFPPRAJ-FNHZYXHNSA-N 2 1 349.906 3.495 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)[C@@H](C)C1 ZINC000247269668 1296386912 /nfs/dbraw/zinc/38/69/12/1296386912.db2.gz YALDVUMTFPPRAJ-FNHZYXHNSA-N 2 1 349.906 3.495 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000261592151 1296593725 /nfs/dbraw/zinc/59/37/25/1296593725.db2.gz YJBFSPFXTZWUQS-CLAROIROSA-N 3 1 341.543 3.409 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000261592151 1296593733 /nfs/dbraw/zinc/59/37/33/1296593733.db2.gz YJBFSPFXTZWUQS-CLAROIROSA-N 2 1 341.543 3.409 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000261592151 1296593742 /nfs/dbraw/zinc/59/37/42/1296593742.db2.gz YJBFSPFXTZWUQS-CLAROIROSA-N 2 1 341.543 3.409 20 0 EGADMP c1coc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000261701729 1296599431 /nfs/dbraw/zinc/59/94/31/1296599431.db2.gz OSGNUZFNPJSPNQ-HCXYKTFWSA-N 2 1 331.504 3.317 20 0 EGADMP CCOc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])ccc1OC(F)F ZINC000261757485 1296600820 /nfs/dbraw/zinc/60/08/20/1296600820.db2.gz POHMWSNEUTVFIR-AWEZNQCLSA-N 2 1 328.403 3.390 20 0 EGADMP Fc1ccc(Br)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262090801 1296619120 /nfs/dbraw/zinc/61/91/20/1296619120.db2.gz UVMWSGDZKYMXNH-UHFFFAOYSA-N 2 1 327.241 3.164 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc(O)c1F ZINC000872027449 1296675096 /nfs/dbraw/zinc/67/50/96/1296675096.db2.gz DKLPNDVVKCBQRA-AWEZNQCLSA-N 2 1 332.419 3.323 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)[C@H](n2cncn2)C1 ZINC000283887815 1296733384 /nfs/dbraw/zinc/73/33/84/1296733384.db2.gz CKBAJHUMGIRZOO-YZGWKJHDSA-N 2 1 341.503 3.120 20 0 EGADMP [NH3+][C@@H](C[C@H]1CCC[N@H+](Cc2nccn2C(F)F)C1)C1CCCC1 ZINC000872157741 1296777133 /nfs/dbraw/zinc/77/71/33/1296777133.db2.gz QKIJELXANUQUSU-HIFRSBDPSA-N 2 1 326.435 3.398 20 0 EGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](Cc2nccn2C(F)F)C1)C1CCCC1 ZINC000872157741 1296777145 /nfs/dbraw/zinc/77/71/45/1296777145.db2.gz QKIJELXANUQUSU-HIFRSBDPSA-N 2 1 326.435 3.398 20 0 EGADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])[C@@H]1c1cccs1 ZINC000872285659 1296895476 /nfs/dbraw/zinc/89/54/76/1296895476.db2.gz BQAVOSICZPDFAD-UIBIWLFHSA-N 2 1 349.544 3.155 20 0 EGADMP OCC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000304340936 1296920813 /nfs/dbraw/zinc/92/08/13/1296920813.db2.gz SWTLAXDLBDPOQI-NRFANRHFSA-N 2 1 338.495 3.407 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](n2cncn2)C1 ZINC000340471859 1297312787 /nfs/dbraw/zinc/31/27/87/1297312787.db2.gz YRGCXGWYXPJDRP-SLHNCBLASA-N 2 1 347.551 3.356 20 0 EGADMP CC1(C)CC[C@H](C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)[NH2+]C1 ZINC000873235006 1297376636 /nfs/dbraw/zinc/37/66/36/1297376636.db2.gz JSKGDYRTYIHAIM-ZGOJQLDESA-N 2 1 341.499 3.187 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260206 1297394025 /nfs/dbraw/zinc/39/40/25/1297394025.db2.gz VOCIMNQUFLFTNR-JBINPLMMSA-N 3 1 327.516 3.017 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260206 1297394035 /nfs/dbraw/zinc/39/40/35/1297394035.db2.gz VOCIMNQUFLFTNR-JBINPLMMSA-N 2 1 327.516 3.017 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390663548 1297631918 /nfs/dbraw/zinc/63/19/18/1297631918.db2.gz QKRQEYZERSFQJU-HXUWFJFHSA-N 3 1 329.532 3.219 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000390663548 1297631927 /nfs/dbraw/zinc/63/19/27/1297631927.db2.gz QKRQEYZERSFQJU-HXUWFJFHSA-N 3 1 329.532 3.219 20 0 EGADMP O=C(NCCCCCCC[NH+]1CCCC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000874174994 1297809477 /nfs/dbraw/zinc/80/94/77/1297809477.db2.gz UGTOLFIJLUCILH-IBGZPJMESA-N 2 1 335.536 3.166 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000700806219 1298180056 /nfs/dbraw/zinc/18/00/56/1298180056.db2.gz XWQDVTFGIZWBHO-GTPINHCMSA-N 2 1 339.524 3.144 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(Cl)c1Br ZINC000719491131 1298319667 /nfs/dbraw/zinc/31/96/67/1298319667.db2.gz HCOBBMVCXKEKLO-UHFFFAOYSA-N 2 1 328.641 3.168 20 0 EGADMP CC(C)CC[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000719932218 1298325979 /nfs/dbraw/zinc/32/59/79/1298325979.db2.gz IPZIDEKRBLMGJP-WOJBJXKFSA-N 2 1 345.531 3.263 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000724043651 1298344977 /nfs/dbraw/zinc/34/49/77/1298344977.db2.gz BSUQMECGRPIFAQ-BBWFWOEESA-N 2 1 339.524 3.001 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000724068608 1298347368 /nfs/dbraw/zinc/34/73/68/1298347368.db2.gz MHAATZLMZMEYJY-BBWFWOEESA-N 2 1 339.524 3.001 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H](F)[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000876708234 1298932189 /nfs/dbraw/zinc/93/21/89/1298932189.db2.gz IUONNVNKQBQFLQ-HNAYVOBHSA-N 2 1 347.478 3.337 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000758204550 1300812403 /nfs/dbraw/zinc/81/24/03/1300812403.db2.gz VQYDOHFIJNMPRA-UYAOXDASSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000880385593 1301096628 /nfs/dbraw/zinc/09/66/28/1301096628.db2.gz QBUAJDDPDDDGDU-HNNXBMFYSA-N 2 1 332.410 3.231 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000880385593 1301096640 /nfs/dbraw/zinc/09/66/40/1301096640.db2.gz QBUAJDDPDDDGDU-HNNXBMFYSA-N 2 1 332.410 3.231 20 0 EGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759860242 1301179438 /nfs/dbraw/zinc/17/94/38/1301179438.db2.gz ZJUXWBRHMMZOBH-RHSMWYFYSA-N 2 1 328.859 3.319 20 0 EGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759860242 1301179441 /nfs/dbraw/zinc/17/94/41/1301179441.db2.gz ZJUXWBRHMMZOBH-RHSMWYFYSA-N 2 1 328.859 3.319 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759860242 1301179444 /nfs/dbraw/zinc/17/94/44/1301179444.db2.gz ZJUXWBRHMMZOBH-RHSMWYFYSA-N 2 1 328.859 3.319 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759860242 1301179448 /nfs/dbraw/zinc/17/94/48/1301179448.db2.gz ZJUXWBRHMMZOBH-RHSMWYFYSA-N 2 1 328.859 3.319 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC3(CCOCC3)Oc3ccccc32)CC[N@@H+]1C ZINC000883383757 1302424078 /nfs/dbraw/zinc/42/40/78/1302424078.db2.gz FVMDPAXTLLYBCP-SOLBZPMBSA-N 2 1 330.472 3.132 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC3(CCOCC3)Oc3ccccc32)CC[N@H+]1C ZINC000883383757 1302424082 /nfs/dbraw/zinc/42/40/82/1302424082.db2.gz FVMDPAXTLLYBCP-SOLBZPMBSA-N 2 1 330.472 3.132 20 0 EGADMP Cc1[nH]c(C2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)[nH+]c1C ZINC000886667980 1303548084 /nfs/dbraw/zinc/54/80/84/1303548084.db2.gz LLONGMLMHJHVHC-UHFFFAOYSA-N 2 1 344.434 3.374 20 0 EGADMP CCCCCC[N@H+](C)CC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000772809329 1303580548 /nfs/dbraw/zinc/58/05/48/1303580548.db2.gz MDLFIMRLQZSTQZ-UHFFFAOYSA-N 2 1 347.503 3.272 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000772809329 1303580553 /nfs/dbraw/zinc/58/05/53/1303580553.db2.gz MDLFIMRLQZSTQZ-UHFFFAOYSA-N 2 1 347.503 3.272 20 0 EGADMP CCOc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000775537996 1303980993 /nfs/dbraw/zinc/98/09/93/1303980993.db2.gz JBOFEULVNGJYIT-MJGOQNOKSA-N 2 1 334.504 3.219 20 0 EGADMP CC[NH+]1CCC(Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)CC1 ZINC000777583977 1304321630 /nfs/dbraw/zinc/32/16/30/1304321630.db2.gz UMRGPPAFQZOSPG-QGZVFWFLSA-N 2 1 331.504 3.303 20 0 EGADMP C[C@@H]1C[C@H](Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000777598221 1304323413 /nfs/dbraw/zinc/32/34/13/1304323413.db2.gz MIZPOSNBWGYSSQ-IEBWSBKVSA-N 2 1 331.504 3.446 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H]2CCc3ccccc32)CC1 ZINC000780285413 1304671785 /nfs/dbraw/zinc/67/17/85/1304671785.db2.gz JJRHGOIZVNNRFP-ZVDOUQERSA-N 2 1 341.543 3.207 20 0 EGADMP FC(F)(F)Cc1ncc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)s1 ZINC000891725582 1305147773 /nfs/dbraw/zinc/14/77/73/1305147773.db2.gz RUFYUDXJNNLRDB-JTQLQIEISA-N 2 1 330.379 3.351 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cnn(C)c2C2CC2)C1 ZINC000891823349 1305179444 /nfs/dbraw/zinc/17/94/44/1305179444.db2.gz QPRMTCGSWLODKZ-IRXDYDNUSA-N 2 1 330.520 3.384 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](CN2C[C@H](CC(C)(C)C)OC2=O)CC1 ZINC000785502047 1305365976 /nfs/dbraw/zinc/36/59/76/1305365976.db2.gz RROZOPPEYGDODS-KRWDZBQOSA-N 2 1 339.524 3.253 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C[C@H](CC(C)(C)C)OC2=O)CC1 ZINC000785502047 1305365987 /nfs/dbraw/zinc/36/59/87/1305365987.db2.gz RROZOPPEYGDODS-KRWDZBQOSA-N 2 1 339.524 3.253 20 0 EGADMP COCCOC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000892574814 1305449030 /nfs/dbraw/zinc/44/90/30/1305449030.db2.gz NQTGNZTYAITGRH-QZTJIDSGSA-N 2 1 334.504 3.060 20 0 EGADMP CCn1cc(CNCc2ccc(-n3ccnc3C)c(F)c2)c(C)n1 ZINC000892677287 1305501623 /nfs/dbraw/zinc/50/16/23/1305501623.db2.gz YNGDVAQXONYDOC-UHFFFAOYSA-N 2 1 327.407 3.134 20 0 EGADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(C2CC2)n1 ZINC000892737923 1305529911 /nfs/dbraw/zinc/52/99/11/1305529911.db2.gz OWJKPSLXTIXFDX-OAHLLOKOSA-N 2 1 344.528 3.361 20 0 EGADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(C2CC2)n1 ZINC000892737923 1305529917 /nfs/dbraw/zinc/52/99/17/1305529917.db2.gz OWJKPSLXTIXFDX-OAHLLOKOSA-N 2 1 344.528 3.361 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)cc1F ZINC000788565979 1305972660 /nfs/dbraw/zinc/97/26/60/1305972660.db2.gz XMWJMRLCTVEJJD-GFCCVEGCSA-N 2 1 326.375 3.271 20 0 EGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000893858962 1306100943 /nfs/dbraw/zinc/10/09/43/1306100943.db2.gz TTWFNMCFZYQQCE-UHFFFAOYSA-N 2 1 333.423 3.308 20 0 EGADMP Cc1ncoc1CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000894093868 1306215122 /nfs/dbraw/zinc/21/51/22/1306215122.db2.gz IYWVHQQORMYHES-OALUTQOASA-N 2 1 325.456 3.470 20 0 EGADMP CCCC1CCC([N@@H+](C)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790387359 1306313424 /nfs/dbraw/zinc/31/34/24/1306313424.db2.gz NGADILPVPHBGSH-NLPFYKDJSA-N 2 1 349.519 3.151 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000894377579 1306366995 /nfs/dbraw/zinc/36/69/95/1306366995.db2.gz BHMZTJFXIZRKOG-UHFFFAOYSA-N 2 1 341.902 3.029 20 0 EGADMP c1cc(OCC2CC2)ccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000790961809 1308895985 /nfs/dbraw/zinc/89/59/85/1308895985.db2.gz NFXDWTYJSABIBE-OAQYLSRUSA-N 2 1 344.499 3.208 20 0 EGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000895376716 1309305062 /nfs/dbraw/zinc/30/50/62/1309305062.db2.gz IPVLAWDOLOHSCB-PKOBYXMFSA-N 2 1 330.520 3.234 20 0 EGADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000895376716 1309305073 /nfs/dbraw/zinc/30/50/73/1309305073.db2.gz IPVLAWDOLOHSCB-PKOBYXMFSA-N 2 1 330.520 3.234 20 0 EGADMP Cc1ccc(C2=NO[C@H](C[NH2+]C3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000895499147 1309374720 /nfs/dbraw/zinc/37/47/20/1309374720.db2.gz VNRQYZWKWKXDSY-IBGZPJMESA-N 2 1 329.488 3.259 20 0 EGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)n(C)n1 ZINC000793524703 1309393369 /nfs/dbraw/zinc/39/33/69/1309393369.db2.gz HKWYWRLPHZUVGM-HOTGVXAUSA-N 2 1 332.517 3.353 20 0 EGADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)n(C)n1 ZINC000793524703 1309393376 /nfs/dbraw/zinc/39/33/76/1309393376.db2.gz HKWYWRLPHZUVGM-HOTGVXAUSA-N 2 1 332.517 3.353 20 0 EGADMP c1[nH+]cn2c1CC[C@@H](c1nc(-c3ccc(C[NH+]4CCCC4)cc3)no1)C2 ZINC000895967774 1309617402 /nfs/dbraw/zinc/61/74/02/1309617402.db2.gz VKQYWTIOIMZLAR-QGZVFWFLSA-N 2 1 349.438 3.259 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000896870758 1310060290 /nfs/dbraw/zinc/06/02/90/1310060290.db2.gz MDUCEOWBYAFWEZ-BHIYHBOVSA-N 2 1 343.515 3.029 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000799014248 1310468770 /nfs/dbraw/zinc/46/87/70/1310468770.db2.gz FGXAAXNIKLNBGR-LAUBAEHRSA-N 2 1 345.531 3.182 20 0 EGADMP C[C@H](Cc1cccnc1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000897970948 1310534209 /nfs/dbraw/zinc/53/42/09/1310534209.db2.gz VTTOARISYMEZTC-QGZVFWFLSA-N 2 1 341.474 3.448 20 0 EGADMP O[C@H](CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000898204575 1310626525 /nfs/dbraw/zinc/62/65/25/1310626525.db2.gz WSRHGCZETOWMQT-UWHLTILDSA-N 2 1 328.500 3.038 20 0 EGADMP c1cncc([C@@H]2CCC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)c1 ZINC000800239541 1310710175 /nfs/dbraw/zinc/71/01/75/1310710175.db2.gz KAYWSBKZSYDBPK-QMMLZNLJSA-N 2 1 343.515 3.341 20 0 EGADMP Cc1cc(NCc2ncc(C[NH+](C)C)s2)ccc1OCC[NH+](C)C ZINC000839186013 1320890031 /nfs/dbraw/zinc/89/00/31/1320890031.db2.gz JHNIVZRYZNKPBU-UHFFFAOYSA-N 2 1 348.516 3.066 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857256566 1328525424 /nfs/dbraw/zinc/52/54/24/1328525424.db2.gz HBDRDFOUMOFSRW-PMACEKPBSA-N 2 1 343.515 3.100 20 0 EGADMP CCC[NH+]1CCC[C@H]1CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857256566 1328525425 /nfs/dbraw/zinc/52/54/25/1328525425.db2.gz HBDRDFOUMOFSRW-PMACEKPBSA-N 2 1 343.515 3.100 20 0 EGADMP CCC[NH+]1CCC[C@H]1CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857256566 1328525426 /nfs/dbraw/zinc/52/54/26/1328525426.db2.gz HBDRDFOUMOFSRW-PMACEKPBSA-N 2 1 343.515 3.100 20 0 EGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001018966924 1316987949 /nfs/dbraw/zinc/98/79/49/1316987949.db2.gz XGKSZVMHDMZLIE-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000802377857 1317002909 /nfs/dbraw/zinc/00/29/09/1317002909.db2.gz QMNKSCWHENKESR-KRWDZBQOSA-N 2 1 348.878 3.044 20 0 EGADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900413752 1317285075 /nfs/dbraw/zinc/28/50/75/1317285075.db2.gz ZSHKDRRGEUIBOE-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP Cc1ccccc1CN1CCC([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902349850 1317566472 /nfs/dbraw/zinc/56/64/72/1317566472.db2.gz RYGXGXQJDZFQEK-FQEVSTJZSA-N 2 1 329.532 3.327 20 0 EGADMP C[NH+]1CCC(Oc2ccc(CN[C@@H]3CC[NH2+]CC(C)(C)C3)cc2)CC1 ZINC000902385424 1317571167 /nfs/dbraw/zinc/57/11/67/1317571167.db2.gz UORZGGWCGIJVQC-GOSISDBHSA-N 2 1 345.531 3.027 20 0 EGADMP COC(=O)c1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)c(C)c1 ZINC000902818065 1317620270 /nfs/dbraw/zinc/62/02/70/1317620270.db2.gz IWMVQTCKGWXCND-OAHLLOKOSA-N 2 1 329.444 3.418 20 0 EGADMP COC(=O)c1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)c(C)c1 ZINC000902818064 1317620510 /nfs/dbraw/zinc/62/05/10/1317620510.db2.gz IWMVQTCKGWXCND-HNNXBMFYSA-N 2 1 329.444 3.418 20 0 EGADMP CC[N@@H+](CC1CC1)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000957760232 1317627592 /nfs/dbraw/zinc/62/75/92/1317627592.db2.gz UDYAXYUALQCQSZ-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC1CC1)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000957760232 1317627595 /nfs/dbraw/zinc/62/75/95/1317627595.db2.gz UDYAXYUALQCQSZ-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC1CC1)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000957760232 1317627601 /nfs/dbraw/zinc/62/76/01/1317627601.db2.gz UDYAXYUALQCQSZ-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1)C(C)C ZINC000957772533 1317635538 /nfs/dbraw/zinc/63/55/38/1317635538.db2.gz INQWGKAANDEGJR-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CN2C(=O)CCC2(C)C)CC1)CC(C)C ZINC000808176479 1317640865 /nfs/dbraw/zinc/64/08/65/1317640865.db2.gz GCTBTSJAPWMUFK-UHFFFAOYSA-N 2 1 337.552 3.425 20 0 EGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903061777 1317645202 /nfs/dbraw/zinc/64/52/02/1317645202.db2.gz JHXLTARWRYZJSP-QCIQETTISA-N 2 1 327.472 3.453 20 0 EGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903061777 1317645207 /nfs/dbraw/zinc/64/52/07/1317645207.db2.gz JHXLTARWRYZJSP-QCIQETTISA-N 2 1 327.472 3.453 20 0 EGADMP c1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CCOCC2)cc1 ZINC000903066347 1317646235 /nfs/dbraw/zinc/64/62/35/1317646235.db2.gz KTKNZHYKQNMAIW-VCSGRIEYSA-N 2 1 340.511 3.482 20 0 EGADMP COc1ccccc1OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903089987 1317650860 /nfs/dbraw/zinc/65/08/60/1317650860.db2.gz UVQLZXSKUQRJLP-ZNXRZULTSA-N 2 1 330.472 3.212 20 0 EGADMP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000903116817 1317655666 /nfs/dbraw/zinc/65/56/66/1317655666.db2.gz JLIQBNBDALJUCS-XEOJFFABSA-N 2 1 346.515 3.134 20 0 EGADMP COC(=O)CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1 ZINC000903119994 1317656934 /nfs/dbraw/zinc/65/69/34/1317656934.db2.gz MUJNNAQFURYOEC-QZNYNHHHSA-N 2 1 342.483 3.428 20 0 EGADMP COC(=O)CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903119994 1317656939 /nfs/dbraw/zinc/65/69/39/1317656939.db2.gz MUJNNAQFURYOEC-QZNYNHHHSA-N 2 1 342.483 3.428 20 0 EGADMP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H](O)c1ccccc1 ZINC000903159422 1317664751 /nfs/dbraw/zinc/66/47/51/1317664751.db2.gz OOPJDQQMDOXEAW-VUQUMOFBSA-N 2 1 328.500 3.492 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCOCC2)[C@H](C)C1 ZINC000903244668 1317681115 /nfs/dbraw/zinc/68/11/15/1317681115.db2.gz ARMMGBRCCPFWMB-MJGOQNOKSA-N 2 1 340.552 3.166 20 0 EGADMP FCCn1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000903274769 1317683435 /nfs/dbraw/zinc/68/34/35/1317683435.db2.gz SHADLHMPHPXWJY-ACDBMABISA-N 2 1 342.462 3.138 20 0 EGADMP FCCn1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000903274769 1317683440 /nfs/dbraw/zinc/68/34/40/1317683440.db2.gz SHADLHMPHPXWJY-ACDBMABISA-N 2 1 342.462 3.138 20 0 EGADMP Cc1ccc([C@@H]2CSCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903730517 1317726679 /nfs/dbraw/zinc/72/66/79/1317726679.db2.gz WYEYYZMLVYJPOV-MOPGFXCFSA-N 2 1 346.540 3.244 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[C@H]1c1ccccc1 ZINC000903735428 1317728195 /nfs/dbraw/zinc/72/81/95/1317728195.db2.gz ZUOPKCMZYAZODC-YZGWKJHDSA-N 2 1 328.500 3.271 20 0 EGADMP CC1(C)[C@H](c2ccccc2F)CC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903778183 1317732333 /nfs/dbraw/zinc/73/23/33/1317732333.db2.gz KEXMDDHYZBSPLS-KNBMTAEXSA-N 2 1 332.463 3.162 20 0 EGADMP [NH3+]CC1([C@H]2CCCC[N@@H+]2C[C@H](O)c2ccc(F)cc2Cl)CCC1 ZINC000903810368 1317737038 /nfs/dbraw/zinc/73/70/38/1317737038.db2.gz BSLBECTWELWCEB-DLBZAZTESA-N 2 1 340.870 3.496 20 0 EGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2C[C@H](O)c2ccc(F)cc2Cl)CCC1 ZINC000903810368 1317737041 /nfs/dbraw/zinc/73/70/41/1317737041.db2.gz BSLBECTWELWCEB-DLBZAZTESA-N 2 1 340.870 3.496 20 0 EGADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)cnn1C ZINC000903880929 1317740985 /nfs/dbraw/zinc/74/09/85/1317740985.db2.gz XKNPQLFOGATSSS-MRXNPFEDSA-N 2 1 346.906 3.164 20 0 EGADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCCC[C@@H]2c2ccccc2)cnn1C ZINC000903905467 1317746347 /nfs/dbraw/zinc/74/63/47/1317746347.db2.gz GOQDIBHFXLITSR-YLJYHZDGSA-N 2 1 326.488 3.073 20 0 EGADMP [NH3+][C@H](C[NH2+]Cc1ccccc1COCc1ccccc1)CC(F)F ZINC000903919625 1317749321 /nfs/dbraw/zinc/74/93/21/1317749321.db2.gz FLBBNHCAJQFBLE-SFHVURJKSA-N 2 1 334.410 3.476 20 0 EGADMP COc1ccc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1OC(F)F ZINC000903959554 1317756487 /nfs/dbraw/zinc/75/64/87/1317756487.db2.gz JOGZYQXXAJGFEM-SFHVURJKSA-N 2 1 340.414 3.262 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1OC(F)F ZINC000903959554 1317756490 /nfs/dbraw/zinc/75/64/90/1317756490.db2.gz JOGZYQXXAJGFEM-SFHVURJKSA-N 2 1 340.414 3.262 20 0 EGADMP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903972970 1317759852 /nfs/dbraw/zinc/75/98/52/1317759852.db2.gz MRYOYKLACYWBCT-QYZOEREBSA-N 2 1 332.463 3.210 20 0 EGADMP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904311427 1317828535 /nfs/dbraw/zinc/82/85/35/1317828535.db2.gz BGPCXPDHUWRMOP-FQEVSTJZSA-N 2 1 326.488 3.331 20 0 EGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904342694 1317833739 /nfs/dbraw/zinc/83/37/39/1317833739.db2.gz NQSDKSBAAJJBMA-PXNSSMCTSA-N 2 1 326.488 3.199 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000809757850 1317893869 /nfs/dbraw/zinc/89/38/69/1317893869.db2.gz ZFUYWRAZINYJBA-KRWDZBQOSA-N 2 1 341.540 3.297 20 0 EGADMP CCCN(CC[NH+]1CCCCCC1)Cc1ncc(C[NH+](C)C)s1 ZINC000809788859 1317901743 /nfs/dbraw/zinc/90/17/43/1317901743.db2.gz WXSXXATTWHJLSO-UHFFFAOYSA-N 2 1 338.565 3.293 20 0 EGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000810245019 1317985430 /nfs/dbraw/zinc/98/54/30/1317985430.db2.gz NKGYKRSRKYBXPU-GOSISDBHSA-N 2 1 346.563 3.431 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000810245019 1317985435 /nfs/dbraw/zinc/98/54/35/1317985435.db2.gz NKGYKRSRKYBXPU-GOSISDBHSA-N 2 1 346.563 3.431 20 0 EGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000810263366 1317989908 /nfs/dbraw/zinc/98/99/08/1317989908.db2.gz NFUSBTUZVPYKRN-DLBZAZTESA-N 2 1 341.540 3.486 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000810263366 1317989912 /nfs/dbraw/zinc/98/99/12/1317989912.db2.gz NFUSBTUZVPYKRN-DLBZAZTESA-N 2 1 341.540 3.486 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCCC2CCCC2)C1 ZINC001021460780 1318265940 /nfs/dbraw/zinc/26/59/40/1318265940.db2.gz JOVWQOFREVEEHE-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC2CCCC2)C1 ZINC001021460780 1318265950 /nfs/dbraw/zinc/26/59/50/1318265950.db2.gz JOVWQOFREVEEHE-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC2CCCC2)C1 ZINC001021460780 1318265961 /nfs/dbraw/zinc/26/59/61/1318265961.db2.gz JOVWQOFREVEEHE-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000960033912 1318320317 /nfs/dbraw/zinc/32/03/17/1318320317.db2.gz VGUZLPWCXZAPGB-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000909387002 1318467752 /nfs/dbraw/zinc/46/77/52/1318467752.db2.gz LGTHCHCRQWEMSZ-RBBKRZOGSA-N 2 1 336.479 3.091 20 0 EGADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000909387002 1318467758 /nfs/dbraw/zinc/46/77/58/1318467758.db2.gz LGTHCHCRQWEMSZ-RBBKRZOGSA-N 2 1 336.479 3.091 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021637265 1318493510 /nfs/dbraw/zinc/49/35/10/1318493510.db2.gz ZUNMUYMAIYMASB-VQIMIIECSA-N 2 1 340.471 3.061 20 0 EGADMP CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021690191 1318563643 /nfs/dbraw/zinc/56/36/43/1318563643.db2.gz GQIMRLSEOZXGRC-UXHICEINSA-N 2 1 343.515 3.085 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000858491926 1328777877 /nfs/dbraw/zinc/77/78/77/1328777877.db2.gz QNGOWWHSKRJWFC-IRXDYDNUSA-N 2 1 345.487 3.416 20 0 EGADMP C[C@H]1[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000813828516 1318638526 /nfs/dbraw/zinc/63/85/26/1318638526.db2.gz UQVQMUOESZUYPQ-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001022164487 1318825436 /nfs/dbraw/zinc/82/54/36/1318825436.db2.gz LCUDCTCODMVOHK-ZCNNSNEGSA-N 2 1 349.563 3.458 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001022165037 1318825789 /nfs/dbraw/zinc/82/57/89/1318825789.db2.gz STMINAKGVXDRIW-LMCOJAPRSA-N 2 1 343.515 3.167 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCC2)cc1 ZINC000960927817 1319071892 /nfs/dbraw/zinc/07/18/92/1319071892.db2.gz OFXXFXKZLQSLAV-FQEVSTJZSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001022807484 1319118702 /nfs/dbraw/zinc/11/87/02/1319118702.db2.gz HVUJCFGIVKKFKF-HSALFYBXSA-N 2 1 347.547 3.377 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC000961029262 1319151589 /nfs/dbraw/zinc/15/15/89/1319151589.db2.gz UPVNBVCHHJYYTQ-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1nccn1CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCCC1 ZINC000961035066 1319158944 /nfs/dbraw/zinc/15/89/44/1319158944.db2.gz OQRLOWUSSQZYFA-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCCC1 ZINC000961035066 1319158946 /nfs/dbraw/zinc/15/89/46/1319158946.db2.gz OQRLOWUSSQZYFA-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCCC1 ZINC000961035066 1319158949 /nfs/dbraw/zinc/15/89/49/1319158949.db2.gz OQRLOWUSSQZYFA-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000817892164 1319453433 /nfs/dbraw/zinc/45/34/33/1319453433.db2.gz RQCIXABVNMRFLA-CWFSZBLJSA-N 2 1 349.478 3.349 20 0 EGADMP O[C@]1(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCCc2ccccc21 ZINC000817912607 1319458685 /nfs/dbraw/zinc/45/86/85/1319458685.db2.gz BPOHYNVAFZDLBB-FCEUIQTBSA-N 2 1 336.479 3.293 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1Cn1cccn1 ZINC000817981674 1319485781 /nfs/dbraw/zinc/48/57/81/1319485781.db2.gz MHUZPFLGXAOEIY-KXBFYZLASA-N 2 1 342.487 3.108 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000961411848 1319568260 /nfs/dbraw/zinc/56/82/60/1319568260.db2.gz PEPDAZMRNHYSTC-UYAOXDASSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961411848 1319568270 /nfs/dbraw/zinc/56/82/70/1319568270.db2.gz PEPDAZMRNHYSTC-UYAOXDASSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961411848 1319568280 /nfs/dbraw/zinc/56/82/80/1319568280.db2.gz PEPDAZMRNHYSTC-UYAOXDASSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000818959306 1319590781 /nfs/dbraw/zinc/59/07/81/1319590781.db2.gz HWRLTKRJQDCZEW-KDOFPFPSSA-N 2 1 326.431 3.242 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489989 1319594422 /nfs/dbraw/zinc/59/44/22/1319594422.db2.gz QEQKHKJTBLZVJW-QGZVFWFLSA-N 2 1 342.487 3.212 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961441688 1319595697 /nfs/dbraw/zinc/59/56/97/1319595697.db2.gz PYXNAVPPEOCLDZ-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552728 1319663926 /nfs/dbraw/zinc/66/39/26/1319663926.db2.gz MCDCTTPCGKAGBC-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552728 1319663933 /nfs/dbraw/zinc/66/39/33/1319663933.db2.gz MCDCTTPCGKAGBC-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552728 1319663937 /nfs/dbraw/zinc/66/39/37/1319663937.db2.gz MCDCTTPCGKAGBC-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1[nH]c2ccccc2c1C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000917019572 1319739904 /nfs/dbraw/zinc/73/99/04/1319739904.db2.gz OBSFGZMAUXKJIB-GOSISDBHSA-N 2 1 341.499 3.112 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]CC3CCCCC3)C2)C1 ZINC000961917575 1319774024 /nfs/dbraw/zinc/77/40/24/1319774024.db2.gz UQZFSUSRCZZRRT-IOJLRTSASA-N 2 1 349.563 3.029 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1 ZINC000962025134 1319802610 /nfs/dbraw/zinc/80/26/10/1319802610.db2.gz VBAXOHNIGBNFOP-MHJFOBGBSA-N 2 1 347.547 3.092 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC000962270111 1319892534 /nfs/dbraw/zinc/89/25/34/1319892534.db2.gz IJLFCUVYQMQOIV-ZSYWTGECSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC000962270111 1319892539 /nfs/dbraw/zinc/89/25/39/1319892539.db2.gz IJLFCUVYQMQOIV-ZSYWTGECSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC000962270111 1319892549 /nfs/dbraw/zinc/89/25/49/1319892549.db2.gz IJLFCUVYQMQOIV-ZSYWTGECSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc3nonc3c2)C1 ZINC000821374034 1320009887 /nfs/dbraw/zinc/00/98/87/1320009887.db2.gz LHGDCEDUCBIEPC-DOTOQJQBSA-N 2 1 328.460 3.309 20 0 EGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc3nonc3c2)C1 ZINC000821374034 1320009890 /nfs/dbraw/zinc/00/98/90/1320009890.db2.gz LHGDCEDUCBIEPC-DOTOQJQBSA-N 2 1 328.460 3.309 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc3nonc3c2)C1 ZINC000821374034 1320009895 /nfs/dbraw/zinc/00/98/95/1320009895.db2.gz LHGDCEDUCBIEPC-DOTOQJQBSA-N 2 1 328.460 3.309 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc3nonc3c2)C1 ZINC000821374034 1320009896 /nfs/dbraw/zinc/00/98/96/1320009896.db2.gz LHGDCEDUCBIEPC-DOTOQJQBSA-N 2 1 328.460 3.309 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC000821374034 1320009900 /nfs/dbraw/zinc/00/99/00/1320009900.db2.gz LHGDCEDUCBIEPC-DOTOQJQBSA-N 2 1 328.460 3.309 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc3nonc3c2)C1 ZINC000821374037 1320010055 /nfs/dbraw/zinc/01/00/55/1320010055.db2.gz LHGDCEDUCBIEPC-WBVHZDCISA-N 2 1 328.460 3.309 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc3nonc3c2)C1 ZINC000821374037 1320010056 /nfs/dbraw/zinc/01/00/56/1320010056.db2.gz LHGDCEDUCBIEPC-WBVHZDCISA-N 2 1 328.460 3.309 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc3nonc3c2)C1 ZINC000821374037 1320010058 /nfs/dbraw/zinc/01/00/58/1320010058.db2.gz LHGDCEDUCBIEPC-WBVHZDCISA-N 2 1 328.460 3.309 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc3nonc3c2)C1 ZINC000821374037 1320010060 /nfs/dbraw/zinc/01/00/60/1320010060.db2.gz LHGDCEDUCBIEPC-WBVHZDCISA-N 2 1 328.460 3.309 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC000821374037 1320010061 /nfs/dbraw/zinc/01/00/61/1320010061.db2.gz LHGDCEDUCBIEPC-WBVHZDCISA-N 2 1 328.460 3.309 20 0 EGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(F)cc(F)c1 ZINC000823850390 1320211335 /nfs/dbraw/zinc/21/13/35/1320211335.db2.gz BGKYYLACUMMPHP-AUUYWEPGSA-N 2 1 338.442 3.301 20 0 EGADMP C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824119353 1320230647 /nfs/dbraw/zinc/23/06/47/1320230647.db2.gz HHDFPJQWRLEURK-LPHOPBHVSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824119353 1320230651 /nfs/dbraw/zinc/23/06/51/1320230651.db2.gz HHDFPJQWRLEURK-LPHOPBHVSA-N 2 1 338.499 3.298 20 0 EGADMP Clc1cccc2c1C[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000840722050 1321135241 /nfs/dbraw/zinc/13/52/41/1321135241.db2.gz FFEQDPCMWWUVST-QZTJIDSGSA-N 2 1 348.918 3.430 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC000840939413 1321181761 /nfs/dbraw/zinc/18/17/61/1321181761.db2.gz MKOVKVVFQBFOMP-SESVDKBCSA-N 2 1 336.483 3.175 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC000840939413 1321181766 /nfs/dbraw/zinc/18/17/66/1321181766.db2.gz MKOVKVVFQBFOMP-SESVDKBCSA-N 2 1 336.483 3.175 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)ccc1OC(=O)CC ZINC000841091025 1321216478 /nfs/dbraw/zinc/21/64/78/1321216478.db2.gz SLGORJKEVMXNLY-INIZCTEOSA-N 2 1 346.471 3.165 20 0 EGADMP C[C@@H](c1ccccc1)[C@H](O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211788 1328946765 /nfs/dbraw/zinc/94/67/65/1328946765.db2.gz AGQFKSAEVPGVKU-LAUBAEHRSA-N 2 1 326.484 3.345 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCOCC(F)(F)C(F)F)cc1 ZINC000859212195 1328946891 /nfs/dbraw/zinc/94/68/91/1328946891.db2.gz HLWHLLNYXJIQDC-UHFFFAOYSA-N 2 1 336.373 3.097 20 0 EGADMP COC(=O)c1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000859214974 1328948223 /nfs/dbraw/zinc/94/82/23/1328948223.db2.gz SFSDIUYXWNAQLQ-UHFFFAOYSA-N 2 1 332.469 3.228 20 0 EGADMP COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000859214974 1328948226 /nfs/dbraw/zinc/94/82/26/1328948226.db2.gz SFSDIUYXWNAQLQ-UHFFFAOYSA-N 2 1 332.469 3.228 20 0 EGADMP NC(=[NH+]OCc1cccc(C[NH+]2CCCCC2)c1)C1CCOCC1 ZINC000842029949 1321337454 /nfs/dbraw/zinc/33/74/54/1321337454.db2.gz OAMFKKZITGGBTL-UHFFFAOYSA-N 2 1 331.460 3.098 20 0 EGADMP CCc1ccc2c(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc(=O)oc2c1 ZINC000842474695 1321393752 /nfs/dbraw/zinc/39/37/52/1321393752.db2.gz WUDSIEGLSACBAB-VQIMIIECSA-N 2 1 340.467 3.319 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842710740 1321422101 /nfs/dbraw/zinc/42/21/01/1321422101.db2.gz CDSYLYWNLTZOLA-NSHDSACASA-N 2 1 346.700 3.319 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000843128061 1321473934 /nfs/dbraw/zinc/47/39/34/1321473934.db2.gz HHBHYGQDVNRXGZ-ZIAGYGMSSA-N 2 1 334.895 3.417 20 0 EGADMP CC(C)[C@H]([NH3+])c1noc(-c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000843153915 1321479717 /nfs/dbraw/zinc/47/97/17/1321479717.db2.gz PWQYMEMSRWTGHD-VBQJREDUSA-N 2 1 344.459 3.002 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000843368451 1321507843 /nfs/dbraw/zinc/50/78/43/1321507843.db2.gz SGHFLLKEUOJIJY-IXMYUCAJSA-N 2 1 337.467 3.226 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000843368451 1321507849 /nfs/dbraw/zinc/50/78/49/1321507849.db2.gz SGHFLLKEUOJIJY-IXMYUCAJSA-N 2 1 337.467 3.226 20 0 EGADMP CCCN(C(=O)C[C@@H]([NH3+])C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000844173866 1321576064 /nfs/dbraw/zinc/57/60/64/1321576064.db2.gz BAHXXXQBVKQHCJ-WOJBJXKFSA-N 2 1 343.515 3.017 20 0 EGADMP [NH3+]CCCCCC[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000846220507 1321777419 /nfs/dbraw/zinc/77/74/19/1321777419.db2.gz ITAKHBCCFYVQEJ-INIZCTEOSA-N 2 1 328.403 3.180 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000846220507 1321777422 /nfs/dbraw/zinc/77/74/22/1321777422.db2.gz ITAKHBCCFYVQEJ-INIZCTEOSA-N 2 1 328.403 3.180 20 0 EGADMP CCNC(=[NH2+])NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000849064142 1322064484 /nfs/dbraw/zinc/06/44/84/1322064484.db2.gz YWXIBCQMODHFNJ-CQSZACIVSA-N 2 1 330.398 3.222 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1ccccc1Cl ZINC000849074978 1322067108 /nfs/dbraw/zinc/06/71/08/1322067108.db2.gz WDDLTFHOVYQFIQ-AWEZNQCLSA-N 2 1 336.911 3.216 20 0 EGADMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)C1 ZINC000849084015 1322071942 /nfs/dbraw/zinc/07/19/42/1322071942.db2.gz UBSTXFLBATWIOS-LBPRGKRZSA-N 2 1 344.381 3.253 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)C1 ZINC000849084014 1322072025 /nfs/dbraw/zinc/07/20/25/1322072025.db2.gz UBSTXFLBATWIOS-GFCCVEGCSA-N 2 1 344.381 3.253 20 0 EGADMP Cc1[nH+]cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)n1C ZINC000850211951 1322206682 /nfs/dbraw/zinc/20/66/82/1322206682.db2.gz VJUHJPVMVXYBDM-UHFFFAOYSA-N 2 1 345.466 3.010 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000920761921 1322219544 /nfs/dbraw/zinc/21/95/44/1322219544.db2.gz CDQRIFUPDQNWBU-KDURUIRLSA-N 2 1 337.552 3.127 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000920925704 1322236684 /nfs/dbraw/zinc/23/66/84/1322236684.db2.gz MPNMRKSXHNUZAZ-IBGZPJMESA-N 2 1 342.487 3.171 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850464353 1322252968 /nfs/dbraw/zinc/25/29/68/1322252968.db2.gz GHHWKRLAWYLFNA-IRXDYDNUSA-N 2 1 332.488 3.163 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000850557099 1322265791 /nfs/dbraw/zinc/26/57/91/1322265791.db2.gz NACFQOYXNNFQBA-RLCCDNCMSA-N 2 1 331.287 3.347 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000850557102 1322266092 /nfs/dbraw/zinc/26/60/92/1322266092.db2.gz NACFQOYXNNFQBA-UVBJJODRSA-N 2 1 331.287 3.347 20 0 EGADMP CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000922170635 1322470969 /nfs/dbraw/zinc/47/09/69/1322470969.db2.gz TWDRBIFOBRQAIX-CVEARBPZSA-N 2 1 339.524 3.144 20 0 EGADMP CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000922170635 1322470970 /nfs/dbraw/zinc/47/09/70/1322470970.db2.gz TWDRBIFOBRQAIX-CVEARBPZSA-N 2 1 339.524 3.144 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1csc3ccccc13)C2 ZINC000922388782 1322515875 /nfs/dbraw/zinc/51/58/75/1322515875.db2.gz RGETZHPAXIFNSP-JYBIWHBTSA-N 2 1 344.524 3.471 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321222 1322733059 /nfs/dbraw/zinc/73/30/59/1322733059.db2.gz AIWLNWVUINCYON-ZQEFZMAUSA-N 3 1 333.564 3.494 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321222 1322733066 /nfs/dbraw/zinc/73/30/66/1322733066.db2.gz AIWLNWVUINCYON-ZQEFZMAUSA-N 3 1 333.564 3.494 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321222 1322733071 /nfs/dbraw/zinc/73/30/71/1322733071.db2.gz AIWLNWVUINCYON-ZQEFZMAUSA-N 3 1 333.564 3.494 20 0 EGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321222 1322733075 /nfs/dbraw/zinc/73/30/75/1322733075.db2.gz AIWLNWVUINCYON-ZQEFZMAUSA-N 2 1 333.564 3.494 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321222 1322733080 /nfs/dbraw/zinc/73/30/80/1322733080.db2.gz AIWLNWVUINCYON-ZQEFZMAUSA-N 2 1 333.564 3.494 20 0 EGADMP C[C@H]1CC2(C[N@H+]1C[C@H](O)Cc1ccc3ccccc3c1)CC[NH2+]CC2 ZINC000923384027 1322743856 /nfs/dbraw/zinc/74/38/56/1322743856.db2.gz QTSRIVFWFSLIOR-LAUBAEHRSA-N 2 1 338.495 3.207 20 0 EGADMP O[C@@H](C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccc(F)cc1Cl ZINC000923390857 1322744288 /nfs/dbraw/zinc/74/42/88/1322744288.db2.gz WKGVELHPTSFAPA-KDOFPFPSSA-N 2 1 340.870 3.224 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@H](CC[NH3+])C3)c2cc1C(C)C ZINC000923483499 1322759798 /nfs/dbraw/zinc/75/97/98/1322759798.db2.gz AZUSPROQZIRBJK-HNNXBMFYSA-N 2 1 328.456 3.396 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923491609 1322762064 /nfs/dbraw/zinc/76/20/64/1322762064.db2.gz JWXLNTWQCPNEPA-SJORKVTESA-N 2 1 337.467 3.351 20 0 EGADMP c1cc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]CC4)CC3)n2)cs1 ZINC000923502979 1322763891 /nfs/dbraw/zinc/76/38/91/1322763891.db2.gz DGYDKVDNOJBACF-CQSZACIVSA-N 2 1 346.500 3.400 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000923823165 1322818090 /nfs/dbraw/zinc/81/80/90/1322818090.db2.gz OAQPNRLPIISFGQ-QGZVFWFLSA-N 2 1 344.459 3.222 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1 ZINC000924572992 1323059326 /nfs/dbraw/zinc/05/93/26/1323059326.db2.gz NZRBAMCGKSOCNJ-GTPINHCMSA-N 2 1 339.524 3.144 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001023994024 1323067561 /nfs/dbraw/zinc/06/75/61/1323067561.db2.gz WMLIWIHSDBEJAL-SJLPKXTDSA-N 2 1 346.519 3.025 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1 ZINC001024018477 1323080891 /nfs/dbraw/zinc/08/08/91/1323080891.db2.gz ORHLITFKSCCZDU-QZTJIDSGSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CC[C@H]2COC(C)(C)O2)CC1)CC1CC1 ZINC000851889399 1323106950 /nfs/dbraw/zinc/10/69/50/1323106950.db2.gz HUYZEKBYBQHGKY-IBGZPJMESA-N 2 1 338.536 3.362 20 0 EGADMP C[C@H](C[NH2+][C@@H](C)c1cccc(Br)n1)C[NH+]1CCCC1 ZINC000924713061 1323127797 /nfs/dbraw/zinc/12/77/97/1323127797.db2.gz CJIAVRKRBRGLRH-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP Cc1oc2ccccc2c1[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000924964351 1323230125 /nfs/dbraw/zinc/23/01/25/1323230125.db2.gz ATDCELUOESXONH-MRXNPFEDSA-N 2 1 329.488 3.419 20 0 EGADMP FC(F)(F)c1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852744490 1323235156 /nfs/dbraw/zinc/23/51/56/1323235156.db2.gz BOCKEUOCANQHHS-XJKSGUPXSA-N 2 1 340.389 3.363 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(-c2ccccc2)no1 ZINC000925023416 1323248521 /nfs/dbraw/zinc/24/85/21/1323248521.db2.gz NAHQFPKXPCXYPK-FUHWJXTLSA-N 2 1 343.471 3.229 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024436253 1323395898 /nfs/dbraw/zinc/39/58/98/1323395898.db2.gz AUTWWCNFQAPBIA-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001024436253 1323395904 /nfs/dbraw/zinc/39/59/04/1323395904.db2.gz AUTWWCNFQAPBIA-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CC(C)(C)C1 ZINC001024436253 1323395907 /nfs/dbraw/zinc/39/59/07/1323395907.db2.gz AUTWWCNFQAPBIA-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440162 1323401241 /nfs/dbraw/zinc/40/12/41/1323401241.db2.gz LKGRUUAUMRCXEE-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440162 1323401248 /nfs/dbraw/zinc/40/12/48/1323401248.db2.gz LKGRUUAUMRCXEE-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440162 1323401251 /nfs/dbraw/zinc/40/12/51/1323401251.db2.gz LKGRUUAUMRCXEE-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440160 1323401420 /nfs/dbraw/zinc/40/14/20/1323401420.db2.gz LKGRUUAUMRCXEE-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440160 1323401424 /nfs/dbraw/zinc/40/14/24/1323401424.db2.gz LKGRUUAUMRCXEE-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440160 1323401431 /nfs/dbraw/zinc/40/14/31/1323401431.db2.gz LKGRUUAUMRCXEE-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CC1 ZINC001024462424 1323418329 /nfs/dbraw/zinc/41/83/29/1323418329.db2.gz RNABHQVRZAGIHI-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CC1 ZINC001024462424 1323418338 /nfs/dbraw/zinc/41/83/38/1323418338.db2.gz RNABHQVRZAGIHI-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1=CCCCC1 ZINC001024514332 1323465144 /nfs/dbraw/zinc/46/51/44/1323465144.db2.gz XTRHWNKFFYLXHZ-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1=CCCCC1 ZINC001024514332 1323465153 /nfs/dbraw/zinc/46/51/53/1323465153.db2.gz XTRHWNKFFYLXHZ-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1=CCCCC1 ZINC001024514332 1323465159 /nfs/dbraw/zinc/46/51/59/1323465159.db2.gz XTRHWNKFFYLXHZ-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC=C(C)C)C1 ZINC001024614925 1323541810 /nfs/dbraw/zinc/54/18/10/1323541810.db2.gz LOZYTCFGCJFSDF-OALUTQOASA-N 2 1 335.536 3.045 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC=C(C)C)C1 ZINC001024614925 1323541802 /nfs/dbraw/zinc/54/18/02/1323541802.db2.gz LOZYTCFGCJFSDF-OALUTQOASA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC=C(C)C)C1 ZINC001024614925 1323541805 /nfs/dbraw/zinc/54/18/05/1323541805.db2.gz LOZYTCFGCJFSDF-OALUTQOASA-N 2 1 335.536 3.045 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCC2CCCC2)CC[N@H+]1C ZINC001024620029 1323547232 /nfs/dbraw/zinc/54/72/32/1323547232.db2.gz LFMQUMOIQZJFLR-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCC2CCCC2)CC[NH+]1C ZINC001024620029 1323547236 /nfs/dbraw/zinc/54/72/36/1323547236.db2.gz LFMQUMOIQZJFLR-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CCC2CCCC2)CC[NH+]1C ZINC001024620029 1323547241 /nfs/dbraw/zinc/54/72/41/1323547241.db2.gz LFMQUMOIQZJFLR-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCC2CCCCCC2)C1 ZINC001024803289 1323705913 /nfs/dbraw/zinc/70/59/13/1323705913.db2.gz GQZAPERIPOKGFC-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCC2CCCCCC2)C1 ZINC001024803289 1323705921 /nfs/dbraw/zinc/70/59/21/1323705921.db2.gz GQZAPERIPOKGFC-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CCC2CCCCCC2)C1 ZINC001024803289 1323705926 /nfs/dbraw/zinc/70/59/26/1323705926.db2.gz GQZAPERIPOKGFC-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001024979211 1323811390 /nfs/dbraw/zinc/81/13/90/1323811390.db2.gz OHTFGSLUSMFLDC-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025239862 1324032477 /nfs/dbraw/zinc/03/24/77/1324032477.db2.gz JQEQHJBEIAXMEO-RBUKOAKNSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025239862 1324032484 /nfs/dbraw/zinc/03/24/84/1324032484.db2.gz JQEQHJBEIAXMEO-RBUKOAKNSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025239862 1324032487 /nfs/dbraw/zinc/03/24/87/1324032487.db2.gz JQEQHJBEIAXMEO-RBUKOAKNSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025243744 1324040671 /nfs/dbraw/zinc/04/06/71/1324040671.db2.gz QNXBGPFFKZPPRF-OALUTQOASA-N 2 1 347.547 3.118 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025250730 1324053367 /nfs/dbraw/zinc/05/33/67/1324053367.db2.gz DOCKTEXFQHQMIE-RTBURBONSA-N 2 1 340.471 3.203 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279651 1324101598 /nfs/dbraw/zinc/10/15/98/1324101598.db2.gz FVOYQWWGDWNHHV-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025287062 1324109055 /nfs/dbraw/zinc/10/90/55/1324109055.db2.gz BTEKMHTUPIFIEL-OALUTQOASA-N 2 1 344.503 3.017 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC001025287062 1324109059 /nfs/dbraw/zinc/10/90/59/1324109059.db2.gz BTEKMHTUPIFIEL-OALUTQOASA-N 2 1 344.503 3.017 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025517482 1324361775 /nfs/dbraw/zinc/36/17/75/1324361775.db2.gz ZXHYKTINFQAOIV-SJORKVTESA-N 2 1 347.503 3.138 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C(C)C)C2)o1 ZINC001025630762 1324483648 /nfs/dbraw/zinc/48/36/48/1324483648.db2.gz VRUTXLNJOJSGAQ-SJORKVTESA-N 2 1 349.519 3.360 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001026464818 1324825358 /nfs/dbraw/zinc/82/53/58/1324825358.db2.gz XDKLPDJONSMQTD-ACBHZAAOSA-N 2 1 335.536 3.068 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001026515689 1324861257 /nfs/dbraw/zinc/86/12/57/1324861257.db2.gz GIQUPPCVPZWHFP-ACBHZAAOSA-N 2 1 335.536 3.068 20 0 EGADMP Cc1cc(C[NH2+]C2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)cs1 ZINC001026561298 1324896374 /nfs/dbraw/zinc/89/63/74/1324896374.db2.gz VASQPGMJTPISKK-NNGSBXSVSA-N 2 1 349.544 3.058 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001026887676 1325062558 /nfs/dbraw/zinc/06/25/58/1325062558.db2.gz SZHLOOYWSVLGOQ-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963329225 1325113036 /nfs/dbraw/zinc/11/30/36/1325113036.db2.gz XCUKRQXJEBCKEV-MJGOQNOKSA-N 2 1 340.471 3.061 20 0 EGADMP CC(C)[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000963332261 1325116943 /nfs/dbraw/zinc/11/69/43/1325116943.db2.gz WMHMMXRNZXOPAX-LMDPOFIKSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001027103942 1325228389 /nfs/dbraw/zinc/22/83/89/1325228389.db2.gz IWWMIURLEHBIIY-IEBWSBKVSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2C[C@H](C)n3ncnc32)C[N@@H+]1Cc1ccccc1 ZINC000925616062 1325231950 /nfs/dbraw/zinc/23/19/50/1325231950.db2.gz QAYBOIKILCVYJU-KCITZHQASA-N 2 1 339.487 3.174 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC000963444225 1325250856 /nfs/dbraw/zinc/25/08/56/1325250856.db2.gz VRLLYJUIZIDMCA-OALUTQOASA-N 2 1 346.519 3.022 20 0 EGADMP FC(F)(F)c1ccncc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925715711 1325268603 /nfs/dbraw/zinc/26/86/03/1325268603.db2.gz GWDKNINVJAZWLN-HOCLYGCPSA-N 2 1 327.394 3.358 20 0 EGADMP [NH3+]Cc1nc2c(s1)CC[N@@H+]([C@H]1CCC[C@H](c3cccnc3)C1)C2 ZINC000925752049 1325285367 /nfs/dbraw/zinc/28/53/67/1325285367.db2.gz RVHUVBZUEMHQGX-ZFWWWQNUSA-N 2 1 328.485 3.081 20 0 EGADMP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@H]1CCC[C@H](c3cccnc3)C1)C2 ZINC000925752049 1325285375 /nfs/dbraw/zinc/28/53/75/1325285375.db2.gz RVHUVBZUEMHQGX-ZFWWWQNUSA-N 2 1 328.485 3.081 20 0 EGADMP CC(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000964015553 1325475997 /nfs/dbraw/zinc/47/59/97/1325475997.db2.gz URFRDKOIQNMFJZ-CTWPCTMYSA-N 2 1 337.552 3.265 20 0 EGADMP c1ccc(C[NH+]2CC[C@H](CN[C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000926327576 1325518206 /nfs/dbraw/zinc/51/82/06/1325518206.db2.gz XWKHCVMPUKZLTR-NJYVYQBISA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](CN[C@@H]3CCC[NH+]4CCCC[C@@H]34)C2)cc1 ZINC000926327576 1325518215 /nfs/dbraw/zinc/51/82/15/1325518215.db2.gz XWKHCVMPUKZLTR-NJYVYQBISA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN[C@@H]3CCC[NH+]4CCCC[C@@H]34)C2)cc1 ZINC000926327576 1325518222 /nfs/dbraw/zinc/51/82/22/1325518222.db2.gz XWKHCVMPUKZLTR-NJYVYQBISA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CCCN4CCCC[C@@H]34)C2)cc1 ZINC000926327576 1325518233 /nfs/dbraw/zinc/51/82/33/1325518233.db2.gz XWKHCVMPUKZLTR-NJYVYQBISA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCCN4CCCC[C@@H]34)C2)cc1 ZINC000926327576 1325518240 /nfs/dbraw/zinc/51/82/40/1325518240.db2.gz XWKHCVMPUKZLTR-NJYVYQBISA-N 2 1 327.516 3.115 20 0 EGADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)[C@@H](O)c1ccccc1 ZINC000926330128 1325518311 /nfs/dbraw/zinc/51/83/11/1325518311.db2.gz CWXBKZXIEDFFNO-VKQJQLINSA-N 2 1 346.515 3.120 20 0 EGADMP COc1cc([C@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)on1 ZINC000926380162 1325534285 /nfs/dbraw/zinc/53/42/85/1325534285.db2.gz YHKZDRNCAURMBX-AWEZNQCLSA-N 2 1 345.443 3.007 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2ccsc2)C1 ZINC001027409592 1327635586 /nfs/dbraw/zinc/63/55/86/1327635586.db2.gz LJMWLUBVXFFDBG-ZWKOTPCHSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccsc2)C1 ZINC001027409592 1327635592 /nfs/dbraw/zinc/63/55/92/1327635592.db2.gz LJMWLUBVXFFDBG-ZWKOTPCHSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccsc2)C1 ZINC001027409592 1327635600 /nfs/dbraw/zinc/63/56/00/1327635600.db2.gz LJMWLUBVXFFDBG-ZWKOTPCHSA-N 2 1 349.544 3.044 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001027440561 1327679539 /nfs/dbraw/zinc/67/95/39/1327679539.db2.gz IOMVGJNQKUBRSZ-IEBWSBKVSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001027440560 1327680347 /nfs/dbraw/zinc/68/03/47/1327680347.db2.gz IOMVGJNQKUBRSZ-HKUYNNGSSA-N 2 1 343.515 3.155 20 0 EGADMP C[N@@H+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027449630 1327689167 /nfs/dbraw/zinc/68/91/67/1327689167.db2.gz DZBSSWUGRGCYKG-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001027449630 1327689178 /nfs/dbraw/zinc/68/91/78/1327689178.db2.gz DZBSSWUGRGCYKG-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001027449630 1327689190 /nfs/dbraw/zinc/68/91/90/1327689190.db2.gz DZBSSWUGRGCYKG-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC001027471114 1327726930 /nfs/dbraw/zinc/72/69/30/1327726930.db2.gz WSFUUDWMDDNERH-IBGZPJMESA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](CC1CCC1)[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001027471114 1327726932 /nfs/dbraw/zinc/72/69/32/1327726932.db2.gz WSFUUDWMDDNERH-IBGZPJMESA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](CC1CCC1)[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001027471114 1327726936 /nfs/dbraw/zinc/72/69/36/1327726936.db2.gz WSFUUDWMDDNERH-IBGZPJMESA-N 2 1 349.563 3.362 20 0 EGADMP Cc1c(Br)cccc1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000926909451 1327770477 /nfs/dbraw/zinc/77/04/77/1327770477.db2.gz CDNBEEXLASZJLP-DOMZBBRYSA-N 2 1 325.294 3.372 20 0 EGADMP CCSc1ccccc1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000926918888 1327776675 /nfs/dbraw/zinc/77/66/75/1327776675.db2.gz JMQSWOCABHESML-GOSISDBHSA-N 2 1 334.529 3.184 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH+](C)CC2CCCCCC2)C1 ZINC001027575556 1327911949 /nfs/dbraw/zinc/91/19/49/1327911949.db2.gz BEEFMINTSITEDK-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]([N@H+](C)CC2CCCCCC2)C1 ZINC001027575556 1327911957 /nfs/dbraw/zinc/91/19/57/1327911957.db2.gz BEEFMINTSITEDK-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC001027575556 1327911962 /nfs/dbraw/zinc/91/19/62/1327911962.db2.gz BEEFMINTSITEDK-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966071921 1328169095 /nfs/dbraw/zinc/16/90/95/1328169095.db2.gz BRYCZUSSTNRVHW-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1CC[N@H+](CC2CCC2)C[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000966485386 1328318216 /nfs/dbraw/zinc/31/82/16/1328318216.db2.gz BFSDSASRCNEPBE-YOEHRIQHSA-N 2 1 349.544 3.050 20 0 EGADMP C[C@H]1CC[N@@H+](CC2CCC2)C[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000966485386 1328318222 /nfs/dbraw/zinc/31/82/22/1328318222.db2.gz BFSDSASRCNEPBE-YOEHRIQHSA-N 2 1 349.544 3.050 20 0 EGADMP CCCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966492626 1328322654 /nfs/dbraw/zinc/32/26/54/1328322654.db2.gz RWQNABOADOPRHD-ZBFHGGJFSA-N 2 1 337.533 3.050 20 0 EGADMP CCCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966492626 1328322665 /nfs/dbraw/zinc/32/26/65/1328322665.db2.gz RWQNABOADOPRHD-ZBFHGGJFSA-N 2 1 337.533 3.050 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001027878714 1328346127 /nfs/dbraw/zinc/34/61/27/1328346127.db2.gz HKTWAGILSKMBQV-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001027878714 1328346133 /nfs/dbraw/zinc/34/61/33/1328346133.db2.gz HKTWAGILSKMBQV-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001027878714 1328346140 /nfs/dbraw/zinc/34/61/40/1328346140.db2.gz HKTWAGILSKMBQV-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027971352 1328443731 /nfs/dbraw/zinc/44/37/31/1328443731.db2.gz FGYQBJHCVKQWOW-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001027971352 1328443735 /nfs/dbraw/zinc/44/37/35/1328443735.db2.gz FGYQBJHCVKQWOW-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001027971352 1328443738 /nfs/dbraw/zinc/44/37/38/1328443738.db2.gz FGYQBJHCVKQWOW-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CCCC1CCC1)c1ccn2c[nH+]cc2c1 ZINC001028002765 1328464554 /nfs/dbraw/zinc/46/45/54/1328464554.db2.gz HZUFLQOPGMKLMY-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2OC)C1 ZINC000932635324 1329829615 /nfs/dbraw/zinc/82/96/15/1329829615.db2.gz IDTGVNZPSUGIDH-KRWDZBQOSA-N 2 1 347.503 3.078 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2OC)C1 ZINC000932635324 1329829617 /nfs/dbraw/zinc/82/96/17/1329829617.db2.gz IDTGVNZPSUGIDH-KRWDZBQOSA-N 2 1 347.503 3.078 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2c(Cl)cncc2Cl)C1 ZINC000866668474 1330139486 /nfs/dbraw/zinc/13/94/86/1330139486.db2.gz DONGRDRCNTUWEL-XFBWCDHKSA-N 2 1 344.286 3.249 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2c(Cl)cncc2Cl)C1 ZINC000866668474 1330139488 /nfs/dbraw/zinc/13/94/88/1330139488.db2.gz DONGRDRCNTUWEL-XFBWCDHKSA-N 2 1 344.286 3.249 20 0 EGADMP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866666814 1330139498 /nfs/dbraw/zinc/13/94/98/1330139498.db2.gz XOKNRERZWZHRSD-ARFHVFGLSA-N 2 1 349.906 3.297 20 0 EGADMP Cc1nc[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)CC1(C)C ZINC000941186162 1331376459 /nfs/dbraw/zinc/37/64/59/1331376459.db2.gz DQWAMKYAEARQFC-GOSISDBHSA-N 2 1 346.519 3.058 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCC2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557362 1331971802 /nfs/dbraw/zinc/97/18/02/1331971802.db2.gz GGXILFIHCYETSO-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C[C@@H]1C ZINC000943287371 1332138722 /nfs/dbraw/zinc/13/87/22/1332138722.db2.gz IWARJWGYDCHKTK-WMZOPIPTSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1C ZINC000943287371 1332138726 /nfs/dbraw/zinc/13/87/26/1332138726.db2.gz IWARJWGYDCHKTK-WMZOPIPTSA-N 2 1 346.519 3.023 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCCC3CCC3)C[C@@H]2C)CC1 ZINC000943757057 1332255515 /nfs/dbraw/zinc/25/55/15/1332255515.db2.gz ZYFSOTHFUXJFNH-AZUAARDMSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945028564 1332481013 /nfs/dbraw/zinc/48/10/13/1332481013.db2.gz JQFOZHFEOWEQNE-FXAWDEMLSA-N 2 1 345.531 3.235 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947309864 1333084418 /nfs/dbraw/zinc/08/44/18/1333084418.db2.gz IIXCNSLYPUFVRT-QZTJIDSGSA-N 2 1 335.536 3.186 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CC1CCC1 ZINC000947310314 1333084574 /nfs/dbraw/zinc/08/45/74/1333084574.db2.gz PDLDBWKZQLGHLH-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CC1=CCCCC1 ZINC000947493216 1333146121 /nfs/dbraw/zinc/14/61/21/1333146121.db2.gz QNAOVXSSFZLMLE-PKOBYXMFSA-N 2 1 345.531 3.084 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1=CCCCC1 ZINC000947615263 1333193080 /nfs/dbraw/zinc/19/30/80/1333193080.db2.gz GZNZSMDEYIUHKO-HKUYNNGSSA-N 2 1 347.547 3.330 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947615141 1333193495 /nfs/dbraw/zinc/19/34/95/1333193495.db2.gz FLLDDIRFUZGCPN-SJLPKXTDSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947799763 1333265446 /nfs/dbraw/zinc/26/54/46/1333265446.db2.gz CORHQFOKDBZRQH-VQIMIIECSA-N 2 1 331.504 3.131 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC1CCC2(CC2)CC1 ZINC000948040859 1333349646 /nfs/dbraw/zinc/34/96/46/1333349646.db2.gz UXQRCRUJDNTIHK-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948066984 1333362266 /nfs/dbraw/zinc/36/22/66/1333362266.db2.gz SYHHBLMRBLUJDL-HKUYNNGSSA-N 2 1 343.515 3.297 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948066985 1333362513 /nfs/dbraw/zinc/36/25/13/1333362513.db2.gz SYHHBLMRBLUJDL-IEBWSBKVSA-N 2 1 343.515 3.297 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC000948077005 1333367043 /nfs/dbraw/zinc/36/70/43/1333367043.db2.gz AHQLWQSOGBVDAH-CVEARBPZSA-N 2 1 335.492 3.114 20 0 EGADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000948552784 1333571644 /nfs/dbraw/zinc/57/16/44/1333571644.db2.gz BLPMVERJZRHNBQ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC000948552784 1333571646 /nfs/dbraw/zinc/57/16/46/1333571646.db2.gz BLPMVERJZRHNBQ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC000948552784 1333571649 /nfs/dbraw/zinc/57/16/49/1333571649.db2.gz BLPMVERJZRHNBQ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000948554221 1333573568 /nfs/dbraw/zinc/57/35/68/1333573568.db2.gz SFLIIUWKLVGXIF-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC000948554221 1333573573 /nfs/dbraw/zinc/57/35/73/1333573573.db2.gz SFLIIUWKLVGXIF-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC000948554221 1333573576 /nfs/dbraw/zinc/57/35/76/1333573576.db2.gz SFLIIUWKLVGXIF-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620846 1333599323 /nfs/dbraw/zinc/59/93/23/1333599323.db2.gz JLWCLSCQTUITPX-SJLPKXTDSA-N 2 1 342.487 3.307 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948621633 1333600567 /nfs/dbraw/zinc/60/05/67/1333600567.db2.gz SJYTXKWCNJNPOP-QGZVFWFLSA-N 2 1 328.460 3.061 20 0 EGADMP CC1CC(C[N@H+]2CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000948674243 1333624046 /nfs/dbraw/zinc/62/40/46/1333624046.db2.gz SFTZHMMQFDHVBG-CTWPCTMYSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726377 1333649096 /nfs/dbraw/zinc/64/90/96/1333649096.db2.gz PIFVQGXNTBGMRB-GOSISDBHSA-N 2 1 349.519 3.314 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000949045659 1333769842 /nfs/dbraw/zinc/76/98/42/1333769842.db2.gz CTIFCWPPKNENIG-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000949045659 1333769846 /nfs/dbraw/zinc/76/98/46/1333769846.db2.gz CTIFCWPPKNENIG-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)C1C[NH+](CCC2=CCCCC2)C1 ZINC000950470458 1334076975 /nfs/dbraw/zinc/07/69/75/1334076975.db2.gz YQPVRSLPJDCSPL-HXUWFJFHSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)C1C[NH+](CCC2=CCCCC2)C1 ZINC000950470458 1334076976 /nfs/dbraw/zinc/07/69/76/1334076976.db2.gz YQPVRSLPJDCSPL-HXUWFJFHSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000951195447 1334203687 /nfs/dbraw/zinc/20/36/87/1334203687.db2.gz HHZQVRWYEVSILJ-UYAOXDASSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000951195447 1334203691 /nfs/dbraw/zinc/20/36/91/1334203691.db2.gz HHZQVRWYEVSILJ-UYAOXDASSA-N 2 1 343.515 3.155 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000952407157 1334451217 /nfs/dbraw/zinc/45/12/17/1334451217.db2.gz QFZANCRZCJWJRX-IBGZPJMESA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417289 1335924555 /nfs/dbraw/zinc/92/45/55/1335924555.db2.gz FEFRCHAHGGFDBC-XLIONFOSSA-N 2 1 343.515 3.155 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC(C)C ZINC000968882437 1336078877 /nfs/dbraw/zinc/07/88/77/1336078877.db2.gz NTTBHHBOCMSOHO-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC(C)C ZINC000968882437 1336078879 /nfs/dbraw/zinc/07/88/79/1336078879.db2.gz NTTBHHBOCMSOHO-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCC(C)C ZINC000968882437 1336078882 /nfs/dbraw/zinc/07/88/82/1336078882.db2.gz NTTBHHBOCMSOHO-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968888044 1336080740 /nfs/dbraw/zinc/08/07/40/1336080740.db2.gz PYJSAYZSFLREBC-MSOLQXFVSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968888044 1336080743 /nfs/dbraw/zinc/08/07/43/1336080743.db2.gz PYJSAYZSFLREBC-MSOLQXFVSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCC2CC2)C1 ZINC000968888270 1336080919 /nfs/dbraw/zinc/08/09/19/1336080919.db2.gz SBENWQCHUUHAKA-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC2CC2)C1 ZINC000968888270 1336080921 /nfs/dbraw/zinc/08/09/21/1336080921.db2.gz SBENWQCHUUHAKA-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CCC2CC2)C1 ZINC000968888270 1336080923 /nfs/dbraw/zinc/08/09/23/1336080923.db2.gz SBENWQCHUUHAKA-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CC2CCCCC2)CC1 ZINC000969013784 1336118811 /nfs/dbraw/zinc/11/88/11/1336118811.db2.gz GPRMIKQZPOUYIE-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000969152269 1336163998 /nfs/dbraw/zinc/16/39/98/1336163998.db2.gz JXVLPRMJBJIFDC-GOSISDBHSA-N 2 1 347.547 3.330 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC=C(C)C ZINC000969156245 1336165272 /nfs/dbraw/zinc/16/52/72/1336165272.db2.gz NYBCLMYLLWAIML-RTBURBONSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC=C(C)C ZINC000969156245 1336165276 /nfs/dbraw/zinc/16/52/76/1336165276.db2.gz NYBCLMYLLWAIML-RTBURBONSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC=C(C)C ZINC000969156245 1336165278 /nfs/dbraw/zinc/16/52/78/1336165278.db2.gz NYBCLMYLLWAIML-RTBURBONSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1CC1 ZINC000969156381 1336165643 /nfs/dbraw/zinc/16/56/43/1336165643.db2.gz RKCBZCZQCJJUJV-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CC1 ZINC000969156381 1336165648 /nfs/dbraw/zinc/16/56/48/1336165648.db2.gz RKCBZCZQCJJUJV-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CC1 ZINC000969156381 1336165650 /nfs/dbraw/zinc/16/56/50/1336165650.db2.gz RKCBZCZQCJJUJV-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCC1 ZINC000969156574 1336165862 /nfs/dbraw/zinc/16/58/62/1336165862.db2.gz WWXYQSIPZRFPOP-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCC1 ZINC000969156574 1336165867 /nfs/dbraw/zinc/16/58/67/1336165867.db2.gz WWXYQSIPZRFPOP-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCC1 ZINC000969156574 1336165870 /nfs/dbraw/zinc/16/58/70/1336165870.db2.gz WWXYQSIPZRFPOP-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005503146 1336363274 /nfs/dbraw/zinc/36/32/74/1336363274.db2.gz IFABQWFXJMHQJE-PKOBYXMFSA-N 2 1 337.552 3.218 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001006001471 1336435916 /nfs/dbraw/zinc/43/59/16/1336435916.db2.gz OBICSGRRJPSREO-PXNSSMCTSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001007457404 1336650515 /nfs/dbraw/zinc/65/05/15/1336650515.db2.gz MYASZKLLXDJABX-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001007457404 1336650518 /nfs/dbraw/zinc/65/05/18/1336650518.db2.gz MYASZKLLXDJABX-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001007457404 1336650520 /nfs/dbraw/zinc/65/05/20/1336650520.db2.gz MYASZKLLXDJABX-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CCCC3CCC3)C2)C1 ZINC001007496646 1336658151 /nfs/dbraw/zinc/65/81/51/1336658151.db2.gz QHMCATZYRIABIC-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](CCCC3CCC3)C2)C1 ZINC001007496646 1336658154 /nfs/dbraw/zinc/65/81/54/1336658154.db2.gz QHMCATZYRIABIC-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCCC3CCC3)C2)C1 ZINC001007496646 1336658157 /nfs/dbraw/zinc/65/81/57/1336658157.db2.gz QHMCATZYRIABIC-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001007500338 1336658432 /nfs/dbraw/zinc/65/84/32/1336658432.db2.gz SHMLDWBUYKVZMQ-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001007500338 1336658436 /nfs/dbraw/zinc/65/84/36/1336658436.db2.gz SHMLDWBUYKVZMQ-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001007500338 1336658437 /nfs/dbraw/zinc/65/84/37/1336658437.db2.gz SHMLDWBUYKVZMQ-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007500142 1336658951 /nfs/dbraw/zinc/65/89/51/1336658951.db2.gz QYXIUDFYJJJUKO-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001007500142 1336658954 /nfs/dbraw/zinc/65/89/54/1336658954.db2.gz QYXIUDFYJJJUKO-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001007500142 1336658955 /nfs/dbraw/zinc/65/89/55/1336658955.db2.gz QYXIUDFYJJJUKO-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001007723815 1336691131 /nfs/dbraw/zinc/69/11/31/1336691131.db2.gz QYOVRYGAUCYLQT-KRWDZBQOSA-N 2 1 342.487 3.273 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001007788570 1336700384 /nfs/dbraw/zinc/70/03/84/1336700384.db2.gz QEHLRFJQSCRMHI-LJQANCHMSA-N 2 1 345.531 3.086 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCCC2CCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001007797555 1336702647 /nfs/dbraw/zinc/70/26/47/1336702647.db2.gz BKUSSINGIWKPLX-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001008052750 1336759306 /nfs/dbraw/zinc/75/93/06/1336759306.db2.gz OPITTXXHTLGBMR-WOJBJXKFSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CCC3CCCCC3)C2)CC[N@H+]1C ZINC001008298536 1336817998 /nfs/dbraw/zinc/81/79/98/1336817998.db2.gz ITPRJBULZKAWRJ-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001008298536 1336818000 /nfs/dbraw/zinc/81/80/00/1336818000.db2.gz ITPRJBULZKAWRJ-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001008298536 1336818002 /nfs/dbraw/zinc/81/80/02/1336818002.db2.gz ITPRJBULZKAWRJ-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001008771716 1336924059 /nfs/dbraw/zinc/92/40/59/1336924059.db2.gz UZOXAWVJQKMMCK-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001008771716 1336924061 /nfs/dbraw/zinc/92/40/61/1336924061.db2.gz UZOXAWVJQKMMCK-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001008771716 1336924063 /nfs/dbraw/zinc/92/40/63/1336924063.db2.gz UZOXAWVJQKMMCK-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001009168919 1336980445 /nfs/dbraw/zinc/98/04/45/1336980445.db2.gz NAWWYCWVMQRYBM-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001009168919 1336980448 /nfs/dbraw/zinc/98/04/48/1336980448.db2.gz NAWWYCWVMQRYBM-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC=C(C)C)C1 ZINC001009171660 1336981318 /nfs/dbraw/zinc/98/13/18/1336981318.db2.gz WXMAFAHQRRMJMF-OALUTQOASA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC=C(C)C)C1 ZINC001009171660 1336981319 /nfs/dbraw/zinc/98/13/19/1336981319.db2.gz WXMAFAHQRRMJMF-OALUTQOASA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001009171660 1336981320 /nfs/dbraw/zinc/98/13/20/1336981320.db2.gz WXMAFAHQRRMJMF-OALUTQOASA-N 2 1 335.536 3.188 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001009197260 1336985108 /nfs/dbraw/zinc/98/51/08/1336985108.db2.gz BVVSLZYYHZCMPG-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001009197260 1336985111 /nfs/dbraw/zinc/98/51/11/1336985111.db2.gz BVVSLZYYHZCMPG-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001009197260 1336985114 /nfs/dbraw/zinc/98/51/14/1336985114.db2.gz BVVSLZYYHZCMPG-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001009632969 1337049989 /nfs/dbraw/zinc/04/99/89/1337049989.db2.gz FVWHRNPVDRDAPH-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001009632969 1337049991 /nfs/dbraw/zinc/04/99/91/1337049991.db2.gz FVWHRNPVDRDAPH-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001009632969 1337049995 /nfs/dbraw/zinc/04/99/95/1337049995.db2.gz FVWHRNPVDRDAPH-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001009639623 1337050117 /nfs/dbraw/zinc/05/01/17/1337050117.db2.gz YSPWGKBEXWIJAU-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001009639623 1337050120 /nfs/dbraw/zinc/05/01/20/1337050120.db2.gz YSPWGKBEXWIJAU-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001009639623 1337050124 /nfs/dbraw/zinc/05/01/24/1337050124.db2.gz YSPWGKBEXWIJAU-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001009633952 1337050448 /nfs/dbraw/zinc/05/04/48/1337050448.db2.gz HJRWBTUDLRDNMW-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001009633952 1337050450 /nfs/dbraw/zinc/05/04/50/1337050450.db2.gz HJRWBTUDLRDNMW-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001009633952 1337050453 /nfs/dbraw/zinc/05/04/53/1337050453.db2.gz HJRWBTUDLRDNMW-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001014430059 1337776079 /nfs/dbraw/zinc/77/60/79/1337776079.db2.gz AGQDFUQHVKTEPL-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014627378 1337852280 /nfs/dbraw/zinc/85/22/80/1337852280.db2.gz HAWXIUZBPXLAJS-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001014627378 1337852281 /nfs/dbraw/zinc/85/22/81/1337852281.db2.gz HAWXIUZBPXLAJS-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001014627378 1337852284 /nfs/dbraw/zinc/85/22/84/1337852284.db2.gz HAWXIUZBPXLAJS-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001014720293 1337882587 /nfs/dbraw/zinc/88/25/87/1337882587.db2.gz CRKFHIBQIOOEGQ-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001014720293 1337882593 /nfs/dbraw/zinc/88/25/93/1337882593.db2.gz CRKFHIBQIOOEGQ-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001014720293 1337882598 /nfs/dbraw/zinc/88/25/98/1337882598.db2.gz CRKFHIBQIOOEGQ-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)ccc2c[nH+]cn21 ZINC001015032640 1337997085 /nfs/dbraw/zinc/99/70/85/1337997085.db2.gz LZMSSDARADSEMM-KRWDZBQOSA-N 2 1 340.471 3.027 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001015603452 1338204482 /nfs/dbraw/zinc/20/44/82/1338204482.db2.gz TUFHEJMAMVIBKP-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001015603452 1338204485 /nfs/dbraw/zinc/20/44/85/1338204485.db2.gz TUFHEJMAMVIBKP-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001015603452 1338204487 /nfs/dbraw/zinc/20/44/87/1338204487.db2.gz TUFHEJMAMVIBKP-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603734 1338204656 /nfs/dbraw/zinc/20/46/56/1338204656.db2.gz XIPQMYLQRKMPDL-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603734 1338204658 /nfs/dbraw/zinc/20/46/58/1338204658.db2.gz XIPQMYLQRKMPDL-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603734 1338204660 /nfs/dbraw/zinc/20/46/60/1338204660.db2.gz XIPQMYLQRKMPDL-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795812 1338315884 /nfs/dbraw/zinc/31/58/84/1338315884.db2.gz SRQQLLWHCGRKSO-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001015898252 1338352818 /nfs/dbraw/zinc/35/28/18/1338352818.db2.gz ACIZOSPWQPGWJH-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001015976520 1338388757 /nfs/dbraw/zinc/38/87/57/1338388757.db2.gz NCKKAQUVVKWABD-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001015976520 1338388759 /nfs/dbraw/zinc/38/87/59/1338388759.db2.gz NCKKAQUVVKWABD-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001015976520 1338388760 /nfs/dbraw/zinc/38/87/60/1338388760.db2.gz NCKKAQUVVKWABD-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001015976520 1338388765 /nfs/dbraw/zinc/38/87/65/1338388765.db2.gz NCKKAQUVVKWABD-QZTJIDSGSA-N 2 1 349.544 3.093 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001015977347 1338389869 /nfs/dbraw/zinc/38/98/69/1338389869.db2.gz UEMKLPJBTQSEMU-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001015977347 1338389870 /nfs/dbraw/zinc/38/98/70/1338389870.db2.gz UEMKLPJBTQSEMU-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001015977347 1338389874 /nfs/dbraw/zinc/38/98/74/1338389874.db2.gz UEMKLPJBTQSEMU-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001016623570 1338667959 /nfs/dbraw/zinc/66/79/59/1338667959.db2.gz FAFWDKZDBCVSID-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016862483 1338751223 /nfs/dbraw/zinc/75/12/23/1338751223.db2.gz ZZWJYTVDSGARAT-OALUTQOASA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@H](C[NH+](C)CC2CCC2)C1 ZINC001017143735 1338894659 /nfs/dbraw/zinc/89/46/59/1338894659.db2.gz YWRMFLFLSSQBHY-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001017143735 1338894663 /nfs/dbraw/zinc/89/46/63/1338894663.db2.gz YWRMFLFLSSQBHY-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017143735 1338894666 /nfs/dbraw/zinc/89/46/66/1338894666.db2.gz YWRMFLFLSSQBHY-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C[NH+](C)CC3CCCCC3)C2)C1 ZINC001017209563 1338955748 /nfs/dbraw/zinc/95/57/48/1338955748.db2.gz QJAWYTHMIQINAN-AZUAARDMSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@H](C[N@H+](C)CC3CCCCC3)C2)C1 ZINC001017209563 1338955750 /nfs/dbraw/zinc/95/57/50/1338955750.db2.gz QJAWYTHMIQINAN-AZUAARDMSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@H](C[N@@H+](C)CC3CCCCC3)C2)C1 ZINC001017209563 1338955752 /nfs/dbraw/zinc/95/57/52/1338955752.db2.gz QJAWYTHMIQINAN-AZUAARDMSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001018064949 1339493731 /nfs/dbraw/zinc/49/37/31/1339493731.db2.gz LTWXRMPGISVCJM-FFZOFVMBSA-N 2 1 343.515 3.083 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093643 1340421250 /nfs/dbraw/zinc/42/12/50/1340421250.db2.gz MWFWXGDYNOOHGT-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093643 1340421255 /nfs/dbraw/zinc/42/12/55/1340421255.db2.gz MWFWXGDYNOOHGT-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093643 1340421257 /nfs/dbraw/zinc/42/12/57/1340421257.db2.gz MWFWXGDYNOOHGT-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCC2CCCCCC2)CC1 ZINC001028115223 1340436825 /nfs/dbraw/zinc/43/68/25/1340436825.db2.gz ANTWPFUREIGOEN-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1ccsc1 ZINC001028181110 1340470851 /nfs/dbraw/zinc/47/08/51/1340470851.db2.gz NTEWTMWJFZGFRC-MSOLQXFVSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccsc1 ZINC001028181110 1340470854 /nfs/dbraw/zinc/47/08/54/1340470854.db2.gz NTEWTMWJFZGFRC-MSOLQXFVSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccsc1 ZINC001028181110 1340470857 /nfs/dbraw/zinc/47/08/57/1340470857.db2.gz NTEWTMWJFZGFRC-MSOLQXFVSA-N 2 1 349.544 3.092 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC=C(C)C ZINC001028251652 1340512445 /nfs/dbraw/zinc/51/24/45/1340512445.db2.gz IUXOFOICUTZGQP-OALUTQOASA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC=C(C)C ZINC001028251652 1340512448 /nfs/dbraw/zinc/51/24/48/1340512448.db2.gz IUXOFOICUTZGQP-OALUTQOASA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC=C(C)C ZINC001028251652 1340512451 /nfs/dbraw/zinc/51/24/51/1340512451.db2.gz IUXOFOICUTZGQP-OALUTQOASA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001028845812 1340857613 /nfs/dbraw/zinc/85/76/13/1340857613.db2.gz QONOVXWFIBZQHN-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001028845812 1340857620 /nfs/dbraw/zinc/85/76/20/1340857620.db2.gz QONOVXWFIBZQHN-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001028845812 1340857625 /nfs/dbraw/zinc/85/76/25/1340857625.db2.gz QONOVXWFIBZQHN-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001029108194 1340931642 /nfs/dbraw/zinc/93/16/42/1340931642.db2.gz XXLZWLSWZYVDDR-XLIONFOSSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001029132927 1340938926 /nfs/dbraw/zinc/93/89/26/1340938926.db2.gz BXQGASRIBKQTNZ-VQIMIIECSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC([C@@H](C)[NH2+]CC2CC2)CC1 ZINC001029154315 1340944387 /nfs/dbraw/zinc/94/43/87/1340944387.db2.gz KVIHZOAFEHXKJW-MRXNPFEDSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1)[NH+](C)C ZINC001029460446 1340995675 /nfs/dbraw/zinc/99/56/75/1340995675.db2.gz VDBZEPITGLPDNT-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001029473048 1340998157 /nfs/dbraw/zinc/99/81/57/1340998157.db2.gz BFTIIMIZNSXLAP-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001029473048 1340998159 /nfs/dbraw/zinc/99/81/59/1340998159.db2.gz BFTIIMIZNSXLAP-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC001029473048 1340998161 /nfs/dbraw/zinc/99/81/61/1340998161.db2.gz BFTIIMIZNSXLAP-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)CC3CCCCCC3)C2)CC[N@H+]1C ZINC001029742210 1341059743 /nfs/dbraw/zinc/05/97/43/1341059743.db2.gz NTDMHCZTQFFTCE-YZGWKJHDSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[N@H+](C)CC3CCCCCC3)C2)CC[NH+]1C ZINC001029742210 1341059744 /nfs/dbraw/zinc/05/97/44/1341059744.db2.gz NTDMHCZTQFFTCE-YZGWKJHDSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[N@@H+](C)CC3CCCCCC3)C2)CC[NH+]1C ZINC001029742210 1341059745 /nfs/dbraw/zinc/05/97/45/1341059745.db2.gz NTDMHCZTQFFTCE-YZGWKJHDSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1)CC1CCCCC1 ZINC001029759020 1341064669 /nfs/dbraw/zinc/06/46/69/1341064669.db2.gz JNYDWPUIVSTWJV-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1)CC1CCCCC1 ZINC001029759020 1341064671 /nfs/dbraw/zinc/06/46/71/1341064671.db2.gz JNYDWPUIVSTWJV-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1)CC1CCCCC1 ZINC001029759020 1341064673 /nfs/dbraw/zinc/06/46/73/1341064673.db2.gz JNYDWPUIVSTWJV-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001029861543 1341099060 /nfs/dbraw/zinc/09/90/60/1341099060.db2.gz PPSBFUYPVCOQMW-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029861543 1341099062 /nfs/dbraw/zinc/09/90/62/1341099062.db2.gz PPSBFUYPVCOQMW-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029861543 1341099064 /nfs/dbraw/zinc/09/90/64/1341099064.db2.gz PPSBFUYPVCOQMW-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001029909990 1341113301 /nfs/dbraw/zinc/11/33/01/1341113301.db2.gz UTVDGKXFFPKDBD-FQEVSTJZSA-N 2 1 347.547 3.143 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC(C[N@H+](C)CC3=CCCCC3)CC2)CCC1 ZINC001029970286 1341139107 /nfs/dbraw/zinc/13/91/07/1341139107.db2.gz SYPLIXDMJNGKPW-UHFFFAOYSA-N 2 1 347.547 3.142 20 0 EGADMP C[N@H+](CC1=CCCCC1)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001029973399 1341140245 /nfs/dbraw/zinc/14/02/45/1341140245.db2.gz AHRNASHDUCBBHN-FQEVSTJZSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001029973399 1341140246 /nfs/dbraw/zinc/14/02/46/1341140246.db2.gz AHRNASHDUCBBHN-FQEVSTJZSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001029973399 1341140247 /nfs/dbraw/zinc/14/02/47/1341140247.db2.gz AHRNASHDUCBBHN-FQEVSTJZSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC(C[N@@H+](C)CC2CC2)CC1 ZINC001029977002 1341141581 /nfs/dbraw/zinc/14/15/81/1341141581.db2.gz POCSKRZGGRQYNU-UHFFFAOYSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC1)CC1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001029977002 1341141582 /nfs/dbraw/zinc/14/15/82/1341141582.db2.gz POCSKRZGGRQYNU-UHFFFAOYSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC1CC1)CC1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001029977002 1341141583 /nfs/dbraw/zinc/14/15/83/1341141583.db2.gz POCSKRZGGRQYNU-UHFFFAOYSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCCC2CCC2)C1 ZINC001032118968 1341458626 /nfs/dbraw/zinc/45/86/26/1341458626.db2.gz CCXWTFZZIAMJAE-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC(CC)CC)C1 ZINC001032119160 1341458631 /nfs/dbraw/zinc/45/86/31/1341458631.db2.gz HOFNTBWUSHGLBV-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001032205635 1341472888 /nfs/dbraw/zinc/47/28/88/1341472888.db2.gz DGMUHHOYAFGULJ-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCCC1 ZINC001032478327 1341519692 /nfs/dbraw/zinc/51/96/92/1341519692.db2.gz BHAFFZBYGFHAID-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCCC1 ZINC001032478327 1341519693 /nfs/dbraw/zinc/51/96/93/1341519693.db2.gz BHAFFZBYGFHAID-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCCCC1 ZINC001032478327 1341519695 /nfs/dbraw/zinc/51/96/95/1341519695.db2.gz BHAFFZBYGFHAID-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCC1 ZINC001032488933 1341522895 /nfs/dbraw/zinc/52/28/95/1341522895.db2.gz QSDRLOKPJGGPRA-OALUTQOASA-N 2 1 347.547 3.115 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1 ZINC001032488933 1341522896 /nfs/dbraw/zinc/52/28/96/1341522896.db2.gz QSDRLOKPJGGPRA-OALUTQOASA-N 2 1 347.547 3.115 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032488933 1341522897 /nfs/dbraw/zinc/52/28/97/1341522897.db2.gz QSDRLOKPJGGPRA-OALUTQOASA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032838185 1341630987 /nfs/dbraw/zinc/63/09/87/1341630987.db2.gz XUWBLSLQWMRYTQ-PWIZWCRZSA-N 2 1 343.515 3.156 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001032838185 1341630988 /nfs/dbraw/zinc/63/09/88/1341630988.db2.gz XUWBLSLQWMRYTQ-PWIZWCRZSA-N 2 1 343.515 3.156 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001032838185 1341630989 /nfs/dbraw/zinc/63/09/89/1341630989.db2.gz XUWBLSLQWMRYTQ-PWIZWCRZSA-N 2 1 343.515 3.156 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033145567 1341738820 /nfs/dbraw/zinc/73/88/20/1341738820.db2.gz IEOFKDHVYUZPOP-MOPGFXCFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033145567 1341738822 /nfs/dbraw/zinc/73/88/22/1341738822.db2.gz IEOFKDHVYUZPOP-MOPGFXCFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033145567 1341738824 /nfs/dbraw/zinc/73/88/24/1341738824.db2.gz IEOFKDHVYUZPOP-MOPGFXCFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033145835 1341738881 /nfs/dbraw/zinc/73/88/81/1341738881.db2.gz KRFOQXOMIVNUGL-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033145835 1341738883 /nfs/dbraw/zinc/73/88/83/1341738883.db2.gz KRFOQXOMIVNUGL-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033145835 1341738886 /nfs/dbraw/zinc/73/88/86/1341738886.db2.gz KRFOQXOMIVNUGL-ROUUACIJSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366436 1341798608 /nfs/dbraw/zinc/79/86/08/1341798608.db2.gz XJZCIYOYPPIRGO-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033366436 1341798609 /nfs/dbraw/zinc/79/86/09/1341798609.db2.gz XJZCIYOYPPIRGO-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033366436 1341798610 /nfs/dbraw/zinc/79/86/10/1341798610.db2.gz XJZCIYOYPPIRGO-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033656563 1341932549 /nfs/dbraw/zinc/93/25/49/1341932549.db2.gz CDFYRGSJQKCEES-QAPCUYQASA-N 2 1 349.906 3.030 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033826389 1342027606 /nfs/dbraw/zinc/02/76/06/1342027606.db2.gz PJVFWYZLTLHPAJ-OALUTQOASA-N 2 1 349.563 3.218 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033826389 1342027610 /nfs/dbraw/zinc/02/76/10/1342027610.db2.gz PJVFWYZLTLHPAJ-OALUTQOASA-N 2 1 349.563 3.218 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033826389 1342027613 /nfs/dbraw/zinc/02/76/13/1342027613.db2.gz PJVFWYZLTLHPAJ-OALUTQOASA-N 2 1 349.563 3.218 20 0 EGADMP CCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001033837642 1342035599 /nfs/dbraw/zinc/03/55/99/1342035599.db2.gz TXUVCWHJRXZPMB-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CC[NH+](CC(C)C)C1 ZINC001033837642 1342035600 /nfs/dbraw/zinc/03/56/00/1342035600.db2.gz TXUVCWHJRXZPMB-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+](CC(C)C)C1 ZINC001033837642 1342035602 /nfs/dbraw/zinc/03/56/02/1342035602.db2.gz TXUVCWHJRXZPMB-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033855894 1342046245 /nfs/dbraw/zinc/04/62/45/1342046245.db2.gz OBWOROQCPSWADQ-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033855894 1342046246 /nfs/dbraw/zinc/04/62/46/1342046246.db2.gz OBWOROQCPSWADQ-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034012463 1342148775 /nfs/dbraw/zinc/14/87/75/1342148775.db2.gz OZUFVZLIXFEQCM-PXNSSMCTSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001034037772 1342176899 /nfs/dbraw/zinc/17/68/99/1342176899.db2.gz FGWUGCAVOJHTQH-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001034037772 1342176900 /nfs/dbraw/zinc/17/69/00/1342176900.db2.gz FGWUGCAVOJHTQH-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001034037772 1342176904 /nfs/dbraw/zinc/17/69/04/1342176904.db2.gz FGWUGCAVOJHTQH-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001034040360 1342180765 /nfs/dbraw/zinc/18/07/65/1342180765.db2.gz SSBGCMVBRHAWKT-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001034040360 1342180766 /nfs/dbraw/zinc/18/07/66/1342180766.db2.gz SSBGCMVBRHAWKT-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001034040360 1342180769 /nfs/dbraw/zinc/18/07/69/1342180769.db2.gz SSBGCMVBRHAWKT-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001034046888 1342186451 /nfs/dbraw/zinc/18/64/51/1342186451.db2.gz VVASSCKNHNFYDU-FQEVSTJZSA-N 2 1 343.515 3.085 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]21)[NH+](C)C ZINC001075942093 1356451835 /nfs/dbraw/zinc/45/18/35/1356451835.db2.gz UHXXUCAATQWGRE-XUVXKRRUSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001034132962 1342262277 /nfs/dbraw/zinc/26/22/77/1342262277.db2.gz VPNPHAFRZZMPET-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001034132962 1342262285 /nfs/dbraw/zinc/26/22/85/1342262285.db2.gz VPNPHAFRZZMPET-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001034132962 1342262287 /nfs/dbraw/zinc/26/22/87/1342262287.db2.gz VPNPHAFRZZMPET-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034202736 1342313176 /nfs/dbraw/zinc/31/31/76/1342313176.db2.gz ANKSNTRSKHSTJM-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCCCC2)C1 ZINC001034202736 1342313177 /nfs/dbraw/zinc/31/31/77/1342313177.db2.gz ANKSNTRSKHSTJM-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCCC2)C1 ZINC001034202736 1342313178 /nfs/dbraw/zinc/31/31/78/1342313178.db2.gz ANKSNTRSKHSTJM-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034271516 1342361773 /nfs/dbraw/zinc/36/17/73/1342361773.db2.gz OITRPVWWMQBUTP-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CCCCC2)C1 ZINC001034271516 1342361777 /nfs/dbraw/zinc/36/17/77/1342361777.db2.gz OITRPVWWMQBUTP-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001034271516 1342361780 /nfs/dbraw/zinc/36/17/80/1342361780.db2.gz OITRPVWWMQBUTP-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCCC3CCC3)C2)CC[N@H+]1C ZINC001034362946 1342434607 /nfs/dbraw/zinc/43/46/07/1342434607.db2.gz KCXAHCWCHZENCP-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCCC3CCC3)C2)CC[NH+]1C ZINC001034362946 1342434610 /nfs/dbraw/zinc/43/46/10/1342434610.db2.gz KCXAHCWCHZENCP-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCCC3CCC3)C2)CC[NH+]1C ZINC001034362946 1342434612 /nfs/dbraw/zinc/43/46/12/1342434612.db2.gz KCXAHCWCHZENCP-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCCC[NH+](CC3CCCC3)C2)C1 ZINC001034367103 1342437178 /nfs/dbraw/zinc/43/71/78/1342437178.db2.gz DACHGEDESXIDKU-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCCC[N@H+](CC3CCCC3)C2)C1 ZINC001034367103 1342437181 /nfs/dbraw/zinc/43/71/81/1342437181.db2.gz DACHGEDESXIDKU-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCCC[N@@H+](CC3CCCC3)C2)C1 ZINC001034367103 1342437182 /nfs/dbraw/zinc/43/71/82/1342437182.db2.gz DACHGEDESXIDKU-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC=C(C)C)C2)C1 ZINC001034367964 1342437486 /nfs/dbraw/zinc/43/74/86/1342437486.db2.gz ITWXUYJIYGQSBV-RTBURBONSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CC=C(C)C)C2)C1 ZINC001034367964 1342437487 /nfs/dbraw/zinc/43/74/87/1342437487.db2.gz ITWXUYJIYGQSBV-RTBURBONSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CC=C(C)C)C2)C1 ZINC001034367964 1342437489 /nfs/dbraw/zinc/43/74/89/1342437489.db2.gz ITWXUYJIYGQSBV-RTBURBONSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](CCCC3CCCC3)C2)C1 ZINC001034395441 1342463634 /nfs/dbraw/zinc/46/36/34/1342463634.db2.gz ZHQCFOOHUQPPIK-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CCCC3CCCC3)C2)C1 ZINC001034395441 1342463637 /nfs/dbraw/zinc/46/36/37/1342463637.db2.gz ZHQCFOOHUQPPIK-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001034395441 1342463640 /nfs/dbraw/zinc/46/36/40/1342463640.db2.gz ZHQCFOOHUQPPIK-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](CC3CCCCC3)C2)C1 ZINC001034396431 1342464443 /nfs/dbraw/zinc/46/44/43/1342464443.db2.gz FQGGFJYPBKBJFA-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CC3CCCCC3)C2)C1 ZINC001034396431 1342464447 /nfs/dbraw/zinc/46/44/47/1342464447.db2.gz FQGGFJYPBKBJFA-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CC3CCCCC3)C2)C1 ZINC001034396431 1342464449 /nfs/dbraw/zinc/46/44/49/1342464449.db2.gz FQGGFJYPBKBJFA-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001034398209 1342466305 /nfs/dbraw/zinc/46/63/05/1342466305.db2.gz NLCWNUYHOPIKKX-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC(C[NH+]2CCCC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001034398209 1342466308 /nfs/dbraw/zinc/46/63/08/1342466308.db2.gz NLCWNUYHOPIKKX-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC(C[NH+]2CCCC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001034398209 1342466310 /nfs/dbraw/zinc/46/63/10/1342466310.db2.gz NLCWNUYHOPIKKX-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CC3CC(C)C3)C2)CC1 ZINC001034471416 1342525521 /nfs/dbraw/zinc/52/55/21/1342525521.db2.gz CEXSBBGRUCMJQK-AFMYVXGZSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034479227 1342536526 /nfs/dbraw/zinc/53/65/26/1342536526.db2.gz UZVGDMASFHDYEF-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034480784 1342537150 /nfs/dbraw/zinc/53/71/50/1342537150.db2.gz NQUAAJVVJSFAPN-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCC2)C1 ZINC001034480784 1342537155 /nfs/dbraw/zinc/53/71/55/1342537155.db2.gz NQUAAJVVJSFAPN-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCC2)C1 ZINC001034480784 1342537159 /nfs/dbraw/zinc/53/71/59/1342537159.db2.gz NQUAAJVVJSFAPN-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034480782 1342537495 /nfs/dbraw/zinc/53/74/95/1342537495.db2.gz NQUAAJVVJSFAPN-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCC2)C1 ZINC001034480782 1342537496 /nfs/dbraw/zinc/53/74/96/1342537496.db2.gz NQUAAJVVJSFAPN-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCC2)C1 ZINC001034480782 1342537498 /nfs/dbraw/zinc/53/74/98/1342537498.db2.gz NQUAAJVVJSFAPN-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001034526736 1342582741 /nfs/dbraw/zinc/58/27/41/1342582741.db2.gz AIOORSYEDKOGHH-QUCCMNQESA-N 2 1 343.515 3.123 20 0 EGADMP CC[C@H](F)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538040 1342595464 /nfs/dbraw/zinc/59/54/64/1342595464.db2.gz PYSCOFKHPDOAQJ-OALUTQOASA-N 2 1 349.494 3.081 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034543949 1342604664 /nfs/dbraw/zinc/60/46/64/1342604664.db2.gz NNMCCPNYPLHROP-GOSISDBHSA-N 2 1 331.504 3.133 20 0 EGADMP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC001034817158 1342780965 /nfs/dbraw/zinc/78/09/65/1342780965.db2.gz VSPCRRQEYODXEN-HXUWFJFHSA-N 2 1 343.515 3.208 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001034959060 1342853784 /nfs/dbraw/zinc/85/37/84/1342853784.db2.gz QBLAWKOHJCTMCZ-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001035024955 1342884183 /nfs/dbraw/zinc/88/41/83/1342884183.db2.gz YDZZPFTYDOMIPL-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035256551 1343082101 /nfs/dbraw/zinc/08/21/01/1343082101.db2.gz ISOABRLQBGKMLX-KDURUIRLSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035256551 1343082103 /nfs/dbraw/zinc/08/21/03/1343082103.db2.gz ISOABRLQBGKMLX-KDURUIRLSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035256551 1343082107 /nfs/dbraw/zinc/08/21/07/1343082107.db2.gz ISOABRLQBGKMLX-KDURUIRLSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035707651 1343144139 /nfs/dbraw/zinc/14/41/39/1343144139.db2.gz PQFBIFPFWDSTNI-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)[C@H](C)C1 ZINC001036208181 1343363910 /nfs/dbraw/zinc/36/39/10/1343363910.db2.gz OAUFERMIEZMILJ-AEFFLSMTSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001036556724 1343552578 /nfs/dbraw/zinc/55/25/78/1343552578.db2.gz QQDQVAYEZPLZPI-LPHOPBHVSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036717093 1343649107 /nfs/dbraw/zinc/64/91/07/1343649107.db2.gz PRRIFKYQVLGTJZ-RBUKOAKNSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036717424 1343649376 /nfs/dbraw/zinc/64/93/76/1343649376.db2.gz VRUMTEYKNNMVTQ-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036755267 1343677541 /nfs/dbraw/zinc/67/75/41/1343677541.db2.gz TWJCGUNLUJGBKA-HKUYNNGSSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036755267 1343677542 /nfs/dbraw/zinc/67/75/42/1343677542.db2.gz TWJCGUNLUJGBKA-HKUYNNGSSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036755267 1343677543 /nfs/dbraw/zinc/67/75/43/1343677543.db2.gz TWJCGUNLUJGBKA-HKUYNNGSSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036833108 1343772089 /nfs/dbraw/zinc/77/20/89/1343772089.db2.gz OJIPRGONSFFMHB-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC[NH+](CC(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCC(C)(C)C)C2)CC1 ZINC001036854703 1343789174 /nfs/dbraw/zinc/78/91/74/1343789174.db2.gz POHRRYVZSRFEHU-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001037078389 1343970892 /nfs/dbraw/zinc/97/08/92/1343970892.db2.gz IZLJACGOFIUECH-RBUKOAKNSA-N 2 1 347.547 3.093 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001037250310 1344068787 /nfs/dbraw/zinc/06/87/87/1344068787.db2.gz BIQYGSNJHZPALC-RTBURBONSA-N 2 1 346.519 3.036 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001038240987 1344338637 /nfs/dbraw/zinc/33/86/37/1344338637.db2.gz RWSDWVBYLRUFDW-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001038240987 1344338641 /nfs/dbraw/zinc/33/86/41/1344338641.db2.gz RWSDWVBYLRUFDW-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCCC1CCCC1 ZINC001038240987 1344338644 /nfs/dbraw/zinc/33/86/44/1344338644.db2.gz RWSDWVBYLRUFDW-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001038240989 1344339721 /nfs/dbraw/zinc/33/97/21/1344339721.db2.gz RWSDWVBYLRUFDW-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001038240989 1344339722 /nfs/dbraw/zinc/33/97/22/1344339722.db2.gz RWSDWVBYLRUFDW-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001038240989 1344339725 /nfs/dbraw/zinc/33/97/25/1344339725.db2.gz RWSDWVBYLRUFDW-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CCC1=CCCCC1)c1ccc2c[nH+]cn2c1 ZINC001038519590 1344463104 /nfs/dbraw/zinc/46/31/04/1344463104.db2.gz LRFXZCZBYFPMDJ-LJQANCHMSA-N 2 1 338.455 3.029 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038521439 1344463991 /nfs/dbraw/zinc/46/39/91/1344463991.db2.gz XSLIBQADLLUYDT-PMACEKPBSA-N 2 1 348.450 3.290 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001038653227 1344524593 /nfs/dbraw/zinc/52/45/93/1344524593.db2.gz UHPMVPXUXWIAOH-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001038653227 1344524594 /nfs/dbraw/zinc/52/45/94/1344524594.db2.gz UHPMVPXUXWIAOH-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001038780708 1344582651 /nfs/dbraw/zinc/58/26/51/1344582651.db2.gz MVTURGOCEGBNIY-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCC2=CCCCC2)CC1 ZINC001038874107 1344623240 /nfs/dbraw/zinc/62/32/40/1344623240.db2.gz YWBFNZGNZSIOQV-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC(C)(C)C ZINC001038908414 1344645792 /nfs/dbraw/zinc/64/57/92/1344645792.db2.gz JYJQMKMQVKZXIL-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001038908414 1344645799 /nfs/dbraw/zinc/64/57/99/1344645799.db2.gz JYJQMKMQVKZXIL-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001038908414 1344645800 /nfs/dbraw/zinc/64/58/00/1344645800.db2.gz JYJQMKMQVKZXIL-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CC[NH+](CCC(C)(C)C)C2)CC1 ZINC001039126466 1344802380 /nfs/dbraw/zinc/80/23/80/1344802380.db2.gz LGYONCMXMPPBGV-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001039126466 1344802384 /nfs/dbraw/zinc/80/23/84/1344802384.db2.gz LGYONCMXMPPBGV-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001039126466 1344802388 /nfs/dbraw/zinc/80/23/88/1344802388.db2.gz LGYONCMXMPPBGV-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC001039168278 1344855795 /nfs/dbraw/zinc/85/57/95/1344855795.db2.gz SJLQZABGPIBEKW-FQEVSTJZSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173170 1344862938 /nfs/dbraw/zinc/86/29/38/1344862938.db2.gz PQOPUSGBMFMKAN-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001039183161 1344880824 /nfs/dbraw/zinc/88/08/24/1344880824.db2.gz WYIKNBUHIHBMJA-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001039183161 1344880827 /nfs/dbraw/zinc/88/08/27/1344880827.db2.gz WYIKNBUHIHBMJA-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001039183161 1344880831 /nfs/dbraw/zinc/88/08/31/1344880831.db2.gz WYIKNBUHIHBMJA-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001039235037 1344955409 /nfs/dbraw/zinc/95/54/09/1344955409.db2.gz MYLCADOGPYXLEZ-MSOLQXFVSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](C(C)C)C1 ZINC001039235037 1344955412 /nfs/dbraw/zinc/95/54/12/1344955412.db2.gz MYLCADOGPYXLEZ-MSOLQXFVSA-N 2 1 346.519 3.118 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(C)C ZINC001039595771 1345147788 /nfs/dbraw/zinc/14/77/88/1345147788.db2.gz PQNLFFPQGMTYPD-OKZBNKHCSA-N 2 1 346.519 3.118 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)C ZINC001039595771 1345147791 /nfs/dbraw/zinc/14/77/91/1345147791.db2.gz PQNLFFPQGMTYPD-OKZBNKHCSA-N 2 1 346.519 3.118 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C(C)C)C2 ZINC001040211708 1345377330 /nfs/dbraw/zinc/37/73/30/1345377330.db2.gz YHLGKOHTTYZEQG-PXNSSMCTSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040211708 1345377334 /nfs/dbraw/zinc/37/73/34/1345377334.db2.gz YHLGKOHTTYZEQG-PXNSSMCTSA-N 2 1 346.519 3.120 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(C)(C)C)C2 ZINC001040264111 1345402331 /nfs/dbraw/zinc/40/23/31/1345402331.db2.gz LSFQPYDBPLPIMO-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC(C)(C)C)C2 ZINC001040264111 1345402332 /nfs/dbraw/zinc/40/23/32/1345402332.db2.gz LSFQPYDBPLPIMO-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC(C)(C)C)C2 ZINC001040264111 1345402335 /nfs/dbraw/zinc/40/23/35/1345402335.db2.gz LSFQPYDBPLPIMO-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040701730 1345567797 /nfs/dbraw/zinc/56/77/97/1345567797.db2.gz OLNJWVSESIGIBS-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357156 1345708734 /nfs/dbraw/zinc/70/87/34/1345708734.db2.gz FGFCHSZYYKHUMD-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041357156 1345708735 /nfs/dbraw/zinc/70/87/35/1345708735.db2.gz FGFCHSZYYKHUMD-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041357156 1345708736 /nfs/dbraw/zinc/70/87/36/1345708736.db2.gz FGFCHSZYYKHUMD-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CCC(C)(C)C)C3)C2)CC[N@H+]1C ZINC001041599170 1345788341 /nfs/dbraw/zinc/78/83/41/1345788341.db2.gz FYPGKZXFMMIKFP-BBTUJRGHSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](CCC(C)(C)C)C3)C2)CC[NH+]1C ZINC001041599170 1345788344 /nfs/dbraw/zinc/78/83/44/1345788344.db2.gz FYPGKZXFMMIKFP-BBTUJRGHSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)CC[NH+]1C ZINC001041599170 1345788347 /nfs/dbraw/zinc/78/83/47/1345788347.db2.gz FYPGKZXFMMIKFP-BBTUJRGHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725505 1345832551 /nfs/dbraw/zinc/83/25/51/1345832551.db2.gz NSYGXGLPBSIEQH-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042254250 1346007137 /nfs/dbraw/zinc/00/71/37/1346007137.db2.gz JOOODYQSCWDYJO-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1C[NH+](CCC(C)(C)C)C1 ZINC001042725607 1346110353 /nfs/dbraw/zinc/11/03/53/1346110353.db2.gz XIXUNJIITUUCHK-QGZVFWFLSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001042848791 1346120595 /nfs/dbraw/zinc/12/05/95/1346120595.db2.gz QDVLCXMMSWNJEU-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001042848791 1346120598 /nfs/dbraw/zinc/12/05/98/1346120598.db2.gz QDVLCXMMSWNJEU-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1C[NH+](CCC2CCCCC2)C1 ZINC001044034108 1346237495 /nfs/dbraw/zinc/23/74/95/1346237495.db2.gz DOVFZLBUOSZEQM-UYAOXDASSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1C[NH+](CCC2CCCCC2)C1 ZINC001044034108 1346237496 /nfs/dbraw/zinc/23/74/96/1346237496.db2.gz DOVFZLBUOSZEQM-UYAOXDASSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045068791 1346489270 /nfs/dbraw/zinc/48/92/70/1346489270.db2.gz RAUYDWWDQAQPKZ-PMACEKPBSA-N 2 1 347.547 3.330 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CCC2CCCCC2)CC1 ZINC001045385815 1346579993 /nfs/dbraw/zinc/57/99/93/1346579993.db2.gz YBUCLRBLUXTUEM-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001045438398 1346594157 /nfs/dbraw/zinc/59/41/57/1346594157.db2.gz SCOKCEWYEYHQCZ-ROUUACIJSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001045475802 1346602992 /nfs/dbraw/zinc/60/29/92/1346602992.db2.gz RAGCHAQWEOIFSR-QZTJIDSGSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001045584546 1346637035 /nfs/dbraw/zinc/63/70/35/1346637035.db2.gz GQPLIAASORDSDL-MOPGFXCFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)[NH+]1CCCCC1 ZINC001045780506 1346696621 /nfs/dbraw/zinc/69/66/21/1346696621.db2.gz PWLNEYICSVXUAH-MOPGFXCFSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001045789871 1346699212 /nfs/dbraw/zinc/69/92/12/1346699212.db2.gz XEOFYCVBOVSNDD-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001045789871 1346699220 /nfs/dbraw/zinc/69/92/20/1346699220.db2.gz XEOFYCVBOVSNDD-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001045789871 1346699226 /nfs/dbraw/zinc/69/92/26/1346699226.db2.gz XEOFYCVBOVSNDD-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001045792896 1346699808 /nfs/dbraw/zinc/69/98/08/1346699808.db2.gz IRXHNWQUZCUQSC-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001045792896 1346699812 /nfs/dbraw/zinc/69/98/12/1346699812.db2.gz IRXHNWQUZCUQSC-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001045792896 1346699814 /nfs/dbraw/zinc/69/98/14/1346699814.db2.gz IRXHNWQUZCUQSC-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001045802872 1346702249 /nfs/dbraw/zinc/70/22/49/1346702249.db2.gz VVPKLBOCYBKVSF-HSALFYBXSA-N 2 1 347.547 3.282 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CC=C(C)C)C1 ZINC001045832884 1346713886 /nfs/dbraw/zinc/71/38/86/1346713886.db2.gz FUDIBVOHHNOOHW-ZCNNSNEGSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC=C(C)C)C1 ZINC001045832884 1346713887 /nfs/dbraw/zinc/71/38/87/1346713887.db2.gz FUDIBVOHHNOOHW-ZCNNSNEGSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC=C(C)C)C1 ZINC001045832884 1346713889 /nfs/dbraw/zinc/71/38/89/1346713889.db2.gz FUDIBVOHHNOOHW-ZCNNSNEGSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001045849732 1346720799 /nfs/dbraw/zinc/72/07/99/1346720799.db2.gz VVPKLBOCYBKVSF-AABGKKOBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001045858273 1346723027 /nfs/dbraw/zinc/72/30/27/1346723027.db2.gz HLHCRVALCAUCHO-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001045858273 1346723028 /nfs/dbraw/zinc/72/30/28/1346723028.db2.gz HLHCRVALCAUCHO-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001045858273 1346723031 /nfs/dbraw/zinc/72/30/31/1346723031.db2.gz HLHCRVALCAUCHO-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001045895861 1346736849 /nfs/dbraw/zinc/73/68/49/1346736849.db2.gz QZVOOXMIYGEISD-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001045895861 1346736850 /nfs/dbraw/zinc/73/68/50/1346736850.db2.gz QZVOOXMIYGEISD-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001045895861 1346736852 /nfs/dbraw/zinc/73/68/52/1346736852.db2.gz QZVOOXMIYGEISD-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001045896045 1346736872 /nfs/dbraw/zinc/73/68/72/1346736872.db2.gz SZGKPIZCFJGUCO-UXHICEINSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045944780 1346780976 /nfs/dbraw/zinc/78/09/76/1346780976.db2.gz IFHQEUYUVAFEJE-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001045944780 1346780978 /nfs/dbraw/zinc/78/09/78/1346780978.db2.gz IFHQEUYUVAFEJE-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001045944780 1346780979 /nfs/dbraw/zinc/78/09/79/1346780979.db2.gz IFHQEUYUVAFEJE-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1)[NH+](C)C ZINC001045945651 1346781489 /nfs/dbraw/zinc/78/14/89/1346781489.db2.gz WFFPAYUPQOPHTK-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[C@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1)[NH+](C)C ZINC001045964963 1346800628 /nfs/dbraw/zinc/80/06/28/1346800628.db2.gz QRIDTWHWNYDMMS-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045965866 1346801354 /nfs/dbraw/zinc/80/13/54/1346801354.db2.gz WSELGMAUQCSOCG-TZIWHRDSSA-N 2 1 349.563 3.243 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001045974056 1346810388 /nfs/dbraw/zinc/81/03/88/1346810388.db2.gz XCSRWLYRUWWXJX-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319828 1346933671 /nfs/dbraw/zinc/93/36/71/1346933671.db2.gz XCMRJTAJGNEMDM-NQIIRXRSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319828 1346933672 /nfs/dbraw/zinc/93/36/72/1346933672.db2.gz XCMRJTAJGNEMDM-NQIIRXRSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319828 1346933673 /nfs/dbraw/zinc/93/36/73/1346933673.db2.gz XCMRJTAJGNEMDM-NQIIRXRSSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCCC3CCCC3)C2)CC[N@H+]1C ZINC001046330045 1346936162 /nfs/dbraw/zinc/93/61/62/1346936162.db2.gz FCNJJFAIVBRCOK-ZVDOUQERSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001046330045 1346936164 /nfs/dbraw/zinc/93/61/64/1346936164.db2.gz FCNJJFAIVBRCOK-ZVDOUQERSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001046330045 1346936166 /nfs/dbraw/zinc/93/61/66/1346936166.db2.gz FCNJJFAIVBRCOK-ZVDOUQERSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046449877 1346977858 /nfs/dbraw/zinc/97/78/58/1346977858.db2.gz MYCVFPKBPWXVDF-IERDGZPVSA-N 2 1 348.450 3.290 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001046739866 1347078059 /nfs/dbraw/zinc/07/80/59/1347078059.db2.gz XKEKYAVBDBRNSF-NRFANRHFSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH+](C(C)C)CC2)C1 ZINC001047242540 1347268946 /nfs/dbraw/zinc/26/89/46/1347268946.db2.gz UVRQYHHJIVOHMK-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001047253746 1347277601 /nfs/dbraw/zinc/27/76/01/1347277601.db2.gz HUMDACBMRMITFX-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1C ZINC001079687735 1357348792 /nfs/dbraw/zinc/34/87/92/1357348792.db2.gz UTRCGZXVIPVPSZ-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1C ZINC001079687735 1357348794 /nfs/dbraw/zinc/34/87/94/1357348794.db2.gz UTRCGZXVIPVPSZ-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1C ZINC001079687735 1357348797 /nfs/dbraw/zinc/34/87/97/1357348797.db2.gz UTRCGZXVIPVPSZ-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001048526253 1347578231 /nfs/dbraw/zinc/57/82/31/1347578231.db2.gz LFZUPKUHRGSMAB-YRPNKDGESA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001048526253 1347578233 /nfs/dbraw/zinc/57/82/33/1347578233.db2.gz LFZUPKUHRGSMAB-YRPNKDGESA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001048526253 1347578235 /nfs/dbraw/zinc/57/82/35/1347578235.db2.gz LFZUPKUHRGSMAB-YRPNKDGESA-N 2 1 347.547 3.019 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048573879 1347600282 /nfs/dbraw/zinc/60/02/82/1347600282.db2.gz HEAQNMZOSBZAAU-KNJMJIDISA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[N@@H+]31)C2 ZINC001048573879 1347600283 /nfs/dbraw/zinc/60/02/83/1347600283.db2.gz HEAQNMZOSBZAAU-KNJMJIDISA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)C2 ZINC001048573879 1347600285 /nfs/dbraw/zinc/60/02/85/1347600285.db2.gz HEAQNMZOSBZAAU-KNJMJIDISA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001048607184 1347616723 /nfs/dbraw/zinc/61/67/23/1347616723.db2.gz PZHYKNCQRYXXQK-UFYCRDLUSA-N 2 1 349.563 3.172 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC1=CCCCC1 ZINC001049370511 1347808302 /nfs/dbraw/zinc/80/83/02/1347808302.db2.gz VYBQTEZKAXDCHY-VAMGGRTRSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1=CCCCC1 ZINC001049370511 1347808304 /nfs/dbraw/zinc/80/83/04/1347808304.db2.gz VYBQTEZKAXDCHY-VAMGGRTRSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1=CCCCC1 ZINC001049370511 1347808306 /nfs/dbraw/zinc/80/83/06/1347808306.db2.gz VYBQTEZKAXDCHY-VAMGGRTRSA-N 2 1 345.531 3.036 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482466 1347869948 /nfs/dbraw/zinc/86/99/48/1347869948.db2.gz NKXLVBMAQIACMH-NMLBUPMWSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001049482466 1347869952 /nfs/dbraw/zinc/86/99/52/1347869952.db2.gz NKXLVBMAQIACMH-NMLBUPMWSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049482466 1347869955 /nfs/dbraw/zinc/86/99/55/1347869955.db2.gz NKXLVBMAQIACMH-NMLBUPMWSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049535845 1347896678 /nfs/dbraw/zinc/89/66/78/1347896678.db2.gz KJXUILOATCFFEZ-VAMGGRTRSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001049535845 1347896682 /nfs/dbraw/zinc/89/66/82/1347896682.db2.gz KJXUILOATCFFEZ-VAMGGRTRSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001049535845 1347896685 /nfs/dbraw/zinc/89/66/85/1347896685.db2.gz KJXUILOATCFFEZ-VAMGGRTRSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCC1CCC1 ZINC001049551845 1347905370 /nfs/dbraw/zinc/90/53/70/1347905370.db2.gz JGFQTXNZTMZMFH-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC1CCC1 ZINC001049551845 1347905372 /nfs/dbraw/zinc/90/53/72/1347905372.db2.gz JGFQTXNZTMZMFH-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC1CCC1 ZINC001049551845 1347905375 /nfs/dbraw/zinc/90/53/75/1347905375.db2.gz JGFQTXNZTMZMFH-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001079850606 1357400567 /nfs/dbraw/zinc/40/05/67/1357400567.db2.gz PEYHZCLJVMJINK-AHRSYUTCSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001079850606 1357400568 /nfs/dbraw/zinc/40/05/68/1357400568.db2.gz PEYHZCLJVMJINK-AHRSYUTCSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001079850606 1357400569 /nfs/dbraw/zinc/40/05/69/1357400569.db2.gz PEYHZCLJVMJINK-AHRSYUTCSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001079850951 1357400646 /nfs/dbraw/zinc/40/06/46/1357400646.db2.gz WFFDVPNOPCHMCP-BHIYHBOVSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001079850951 1357400647 /nfs/dbraw/zinc/40/06/47/1357400647.db2.gz WFFDVPNOPCHMCP-BHIYHBOVSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001079850951 1357400650 /nfs/dbraw/zinc/40/06/50/1357400650.db2.gz WFFDVPNOPCHMCP-BHIYHBOVSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001052378225 1348535958 /nfs/dbraw/zinc/53/59/58/1348535958.db2.gz UPMOZKYRIQEMTN-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001052378225 1348535961 /nfs/dbraw/zinc/53/59/61/1348535961.db2.gz UPMOZKYRIQEMTN-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001052378225 1348535962 /nfs/dbraw/zinc/53/59/62/1348535962.db2.gz UPMOZKYRIQEMTN-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP CCCC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052513935 1348563700 /nfs/dbraw/zinc/56/37/00/1348563700.db2.gz KZOJXNCNDFWVIS-INIZCTEOSA-N 2 1 328.460 3.027 20 0 EGADMP CC1(C)CC(C[N@H+]2CCC[C@@H](NC(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001052528903 1348567248 /nfs/dbraw/zinc/56/72/48/1348567248.db2.gz NYJCBKDAFIRFBM-GOSISDBHSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052590539 1348588924 /nfs/dbraw/zinc/58/89/24/1348588924.db2.gz CINAYNQOPQZETH-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052620675 1348598186 /nfs/dbraw/zinc/59/81/86/1348598186.db2.gz RCSRCRXSKCKXBZ-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](CC3CCCC3)CC2)C1 ZINC001052651349 1348613509 /nfs/dbraw/zinc/61/35/09/1348613509.db2.gz GNOONDWCJKVGBG-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@H+](CC3CCCC3)CC2)C1 ZINC001052651349 1348613511 /nfs/dbraw/zinc/61/35/11/1348613511.db2.gz GNOONDWCJKVGBG-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC3CCCC3)CC2)C1 ZINC001052651349 1348613513 /nfs/dbraw/zinc/61/35/13/1348613513.db2.gz GNOONDWCJKVGBG-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC001052712960 1348644917 /nfs/dbraw/zinc/64/49/17/1348644917.db2.gz QGOXRMHUCGREDU-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001052712960 1348644922 /nfs/dbraw/zinc/64/49/22/1348644922.db2.gz QGOXRMHUCGREDU-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001052712960 1348644923 /nfs/dbraw/zinc/64/49/23/1348644923.db2.gz QGOXRMHUCGREDU-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CC1(C)CCC(C[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001052938172 1348756289 /nfs/dbraw/zinc/75/62/89/1348756289.db2.gz SKEOVXJFYMUWJA-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001052937576 1348756480 /nfs/dbraw/zinc/75/64/80/1348756480.db2.gz MAXPFYVRBYCUHV-QUCCMNQESA-N 2 1 343.515 3.123 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)CC1 ZINC001052938445 1348756826 /nfs/dbraw/zinc/75/68/26/1348756826.db2.gz XWQXYWSFMHXVJX-HXUWFJFHSA-N 2 1 349.563 3.413 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+](C/C=C/Cl)CC2)c1 ZINC001052954159 1348768499 /nfs/dbraw/zinc/76/84/99/1348768499.db2.gz LVDDZWQJIMYPCA-YPHWWSSASA-N 2 1 349.906 3.085 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052957815 1348770475 /nfs/dbraw/zinc/77/04/75/1348770475.db2.gz JHCQOAJMIFOCCH-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053038974 1348840305 /nfs/dbraw/zinc/84/03/05/1348840305.db2.gz BLKHCBZJCWJDAR-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001053038974 1348840307 /nfs/dbraw/zinc/84/03/07/1348840307.db2.gz BLKHCBZJCWJDAR-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001053038974 1348840309 /nfs/dbraw/zinc/84/03/09/1348840309.db2.gz BLKHCBZJCWJDAR-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053044571 1348845732 /nfs/dbraw/zinc/84/57/32/1348845732.db2.gz QEBMWTSLCKFQIZ-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053107356 1348946539 /nfs/dbraw/zinc/94/65/39/1348946539.db2.gz FWKLYXCQSKMHDR-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080442448 1357622376 /nfs/dbraw/zinc/62/23/76/1357622376.db2.gz AJDXANNVGBWNIQ-ZHALLVOQSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001080442448 1357622379 /nfs/dbraw/zinc/62/23/79/1357622379.db2.gz AJDXANNVGBWNIQ-ZHALLVOQSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[NH+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001080442448 1357622381 /nfs/dbraw/zinc/62/23/81/1357622381.db2.gz AJDXANNVGBWNIQ-ZHALLVOQSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554605 1357676764 /nfs/dbraw/zinc/67/67/64/1357676764.db2.gz XOUZEBJRFUJWRA-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001183137660 1387267647 /nfs/dbraw/zinc/26/76/47/1387267647.db2.gz BBJFWTJIRTYNFG-SLYNCCJLSA-N 2 1 345.531 3.164 20 0 EGADMP CCCC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071896243 1355011627 /nfs/dbraw/zinc/01/16/27/1355011627.db2.gz FGSQPFDIUOPQLG-APWZRJJASA-N 2 1 331.504 3.131 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[N@H+]1CC1CCCCCC1 ZINC001071996259 1355065886 /nfs/dbraw/zinc/06/58/86/1355065886.db2.gz PRHKOZXPQVLDEL-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CCC1CCCCC1 ZINC001072081867 1355119388 /nfs/dbraw/zinc/11/93/88/1355119388.db2.gz UDOVMHJPHLWFLD-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@H+]1CC1CCC1 ZINC001072099511 1355130259 /nfs/dbraw/zinc/13/02/59/1355130259.db2.gz SBQOYZRMFCTRFS-APWZRJJASA-N 2 1 343.515 3.131 20 0 EGADMP CC[C@H](C(=O)N1CC2(C1)CC[N@H+]([C@@H](CC)c1ccccc1)C2)[NH+](C)C ZINC001072851270 1355464712 /nfs/dbraw/zinc/46/47/12/1355464712.db2.gz PVROBHVQUODUDJ-RBUKOAKNSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)[C@@H]2C)C1 ZINC001074824848 1356256527 /nfs/dbraw/zinc/25/65/27/1356256527.db2.gz ZKLGGRSZFWJARV-IHPCNDPISA-N 2 1 347.547 3.188 20 0 EGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001183256549 1387287205 /nfs/dbraw/zinc/28/72/05/1387287205.db2.gz YTSQRMGRIOKWRS-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001080998508 1357776847 /nfs/dbraw/zinc/77/68/47/1357776847.db2.gz AWQCAZIWAPVGCN-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C ZINC001080998508 1357776849 /nfs/dbraw/zinc/77/68/49/1357776849.db2.gz AWQCAZIWAPVGCN-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C ZINC001080998508 1357776855 /nfs/dbraw/zinc/77/68/55/1357776855.db2.gz AWQCAZIWAPVGCN-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001082544431 1358057082 /nfs/dbraw/zinc/05/70/82/1358057082.db2.gz CLFSQJINENFTGT-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001082698721 1358077946 /nfs/dbraw/zinc/07/79/46/1358077946.db2.gz XMVVAHLYNBHLGH-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001183517167 1387315959 /nfs/dbraw/zinc/31/59/59/1387315959.db2.gz SERDLNOLHRKGME-SLYNCCJLSA-N 2 1 345.531 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[NH+](CCC(C)(C)C)C[C@H]32)C1 ZINC001084599284 1358253805 /nfs/dbraw/zinc/25/38/05/1358253805.db2.gz XNQOINPAKXGKBF-GUDVDZBRSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCC(C)(C)C)C[C@H]32)C1 ZINC001084599284 1358253808 /nfs/dbraw/zinc/25/38/08/1358253808.db2.gz XNQOINPAKXGKBF-GUDVDZBRSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCC(C)(C)C)C[C@H]32)C1 ZINC001084599284 1358253810 /nfs/dbraw/zinc/25/38/10/1358253810.db2.gz XNQOINPAKXGKBF-GUDVDZBRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001085593141 1358620247 /nfs/dbraw/zinc/62/02/47/1358620247.db2.gz CGFQPSMYLIMFHG-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001085593141 1358620249 /nfs/dbraw/zinc/62/02/49/1358620249.db2.gz CGFQPSMYLIMFHG-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001085593141 1358620255 /nfs/dbraw/zinc/62/02/55/1358620255.db2.gz CGFQPSMYLIMFHG-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085629000 1358646727 /nfs/dbraw/zinc/64/67/27/1358646727.db2.gz JMYLREFEWFRGRF-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001085629000 1358646731 /nfs/dbraw/zinc/64/67/31/1358646731.db2.gz JMYLREFEWFRGRF-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001085629000 1358646734 /nfs/dbraw/zinc/64/67/34/1358646734.db2.gz JMYLREFEWFRGRF-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001085687319 1358688035 /nfs/dbraw/zinc/68/80/35/1358688035.db2.gz MSGFTVOYFMIUOP-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085687319 1358688039 /nfs/dbraw/zinc/68/80/39/1358688039.db2.gz MSGFTVOYFMIUOP-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085687319 1358688043 /nfs/dbraw/zinc/68/80/43/1358688043.db2.gz MSGFTVOYFMIUOP-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2=CCCCC2)C1 ZINC001085778807 1358753116 /nfs/dbraw/zinc/75/31/16/1358753116.db2.gz HYUWYVGOENFONL-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC2=CCCCC2)C1 ZINC001085778807 1358753123 /nfs/dbraw/zinc/75/31/23/1358753123.db2.gz HYUWYVGOENFONL-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC2=CCCCC2)C1 ZINC001085778807 1358753126 /nfs/dbraw/zinc/75/31/26/1358753126.db2.gz HYUWYVGOENFONL-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCC2CCCC2)C1 ZINC001085778609 1358753888 /nfs/dbraw/zinc/75/38/88/1358753888.db2.gz CLYJOHZAXMDOLQ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC2CCCC2)C1 ZINC001085778609 1358753893 /nfs/dbraw/zinc/75/38/93/1358753893.db2.gz CLYJOHZAXMDOLQ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCC2CCCC2)C1 ZINC001085778609 1358753896 /nfs/dbraw/zinc/75/38/96/1358753896.db2.gz CLYJOHZAXMDOLQ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085798800 1358773807 /nfs/dbraw/zinc/77/38/07/1358773807.db2.gz AYJLLUNHZYXACQ-PMACEKPBSA-N 2 1 343.515 3.012 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CC1CCC(C)(C)CC1)C(=O)C1CC[NH+](C)CC1 ZINC001085798885 1358774634 /nfs/dbraw/zinc/77/46/34/1358774634.db2.gz CUSPZTQQSAJOLM-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085856171 1358823767 /nfs/dbraw/zinc/82/37/67/1358823767.db2.gz SRTDQHOFSCWSLW-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001085856171 1358823771 /nfs/dbraw/zinc/82/37/71/1358823771.db2.gz SRTDQHOFSCWSLW-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001085856171 1358823776 /nfs/dbraw/zinc/82/37/76/1358823776.db2.gz SRTDQHOFSCWSLW-RTBURBONSA-N 2 1 337.552 3.218 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC[N@H+]1C ZINC001086090415 1358993286 /nfs/dbraw/zinc/99/32/86/1358993286.db2.gz YTGKCUXWQKQLNN-OQIJWPOYSA-N 2 1 349.563 3.027 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC001086122815 1359002858 /nfs/dbraw/zinc/00/28/58/1359002858.db2.gz ZECLESJSAFSQRG-OJAHFUOMSA-N 2 1 343.515 3.106 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCCC3)C2)CC[N@H+]1C ZINC001086457104 1359102599 /nfs/dbraw/zinc/10/25/99/1359102599.db2.gz KFEWMKPBBBGADS-LEAZDLGRSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C[C@@H]1O ZINC001183991573 1387379206 /nfs/dbraw/zinc/37/92/06/1387379206.db2.gz LMFSKEWAADVTFZ-SLYNCCJLSA-N 2 1 330.516 3.237 20 0 EGADMP C[C@@H]1C[NH+](C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC001183991573 1387379207 /nfs/dbraw/zinc/37/92/07/1387379207.db2.gz LMFSKEWAADVTFZ-SLYNCCJLSA-N 2 1 330.516 3.237 20 0 EGADMP C[C@@H]1C[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC001183991573 1387379209 /nfs/dbraw/zinc/37/92/09/1387379209.db2.gz LMFSKEWAADVTFZ-SLYNCCJLSA-N 2 1 330.516 3.237 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCC1 ZINC001087175046 1359313412 /nfs/dbraw/zinc/31/34/12/1359313412.db2.gz SPFCEPQTUYCIHL-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@H+]1CC1CC(C)(C)C1 ZINC001087569718 1359535564 /nfs/dbraw/zinc/53/55/64/1359535564.db2.gz JOSQBRHVGSTWIL-IPMKNSEASA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CC1CC(C)(C)C1 ZINC001087569718 1359535566 /nfs/dbraw/zinc/53/55/66/1359535566.db2.gz JOSQBRHVGSTWIL-IPMKNSEASA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC[NH+]1CC1CC(C)(C)C1 ZINC001087569718 1359535571 /nfs/dbraw/zinc/53/55/71/1359535571.db2.gz JOSQBRHVGSTWIL-IPMKNSEASA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC[N@H+]1CC1CCCC1 ZINC001087598805 1359549304 /nfs/dbraw/zinc/54/93/04/1359549304.db2.gz ZUNQJTPQCSSPQI-HSALFYBXSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC[NH+]1CC1CCCC1 ZINC001087598805 1359549308 /nfs/dbraw/zinc/54/93/08/1359549308.db2.gz ZUNQJTPQCSSPQI-HSALFYBXSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC[NH+]1CC1CCCC1 ZINC001087598805 1359549309 /nfs/dbraw/zinc/54/93/09/1359549309.db2.gz ZUNQJTPQCSSPQI-HSALFYBXSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CCC1CCCC1 ZINC001087626218 1359561464 /nfs/dbraw/zinc/56/14/64/1359561464.db2.gz OZHICJIISRSZFJ-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CCC1CCCC1 ZINC001087626218 1359561465 /nfs/dbraw/zinc/56/14/65/1359561465.db2.gz OZHICJIISRSZFJ-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CCC1CCCC1 ZINC001087626218 1359561468 /nfs/dbraw/zinc/56/14/68/1359561468.db2.gz OZHICJIISRSZFJ-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CCC1CCCC1 ZINC001087626218 1359561472 /nfs/dbraw/zinc/56/14/72/1359561472.db2.gz OZHICJIISRSZFJ-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC1CC(C)(C)C1 ZINC001087684834 1359588714 /nfs/dbraw/zinc/58/87/14/1359588714.db2.gz QTSXAXDMEASUHY-ZWKOTPCHSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1CC1CCCCCC1 ZINC001087725616 1359613170 /nfs/dbraw/zinc/61/31/70/1359613170.db2.gz WTEFDRCERIOJCY-YSIASYRMSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1CC1CCCCCC1 ZINC001087725616 1359613172 /nfs/dbraw/zinc/61/31/72/1359613172.db2.gz WTEFDRCERIOJCY-YSIASYRMSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1CC1CCCCCC1 ZINC001087725616 1359613175 /nfs/dbraw/zinc/61/31/75/1359613175.db2.gz WTEFDRCERIOJCY-YSIASYRMSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1CC=C(C)C ZINC001087762678 1359632546 /nfs/dbraw/zinc/63/25/46/1359632546.db2.gz HQASPSABJVWQGK-VQTJNVASSA-N 2 1 343.515 3.297 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CCC(C)(C)C ZINC001087773940 1359636805 /nfs/dbraw/zinc/63/68/05/1359636805.db2.gz QBLIFGQDZRHMSQ-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212724 1359797793 /nfs/dbraw/zinc/79/77/93/1359797793.db2.gz LCLLTCQWMCFCNZ-AABGKKOBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001088323762 1359830737 /nfs/dbraw/zinc/83/07/37/1359830737.db2.gz YDHSJLJOJRZEDN-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCCC[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001088381999 1359865244 /nfs/dbraw/zinc/86/52/44/1359865244.db2.gz ROQBCEGZNJGFTM-QUCCMNQESA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001088430989 1359898385 /nfs/dbraw/zinc/89/83/85/1359898385.db2.gz DDTWJFWEJGSXMD-VQTJNVASSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569447 1359976274 /nfs/dbraw/zinc/97/62/74/1359976274.db2.gz UJOAFOZXQZJFMX-HBFSDRIKSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569447 1359976277 /nfs/dbraw/zinc/97/62/77/1359976277.db2.gz UJOAFOZXQZJFMX-HBFSDRIKSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569447 1359976280 /nfs/dbraw/zinc/97/62/80/1359976280.db2.gz UJOAFOZXQZJFMX-HBFSDRIKSA-N 2 1 347.547 3.186 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC001088600571 1359987213 /nfs/dbraw/zinc/98/72/13/1359987213.db2.gz XLSGEALJBOPMOI-FMKPAKJESA-N 2 1 337.533 3.048 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC001088600571 1359987217 /nfs/dbraw/zinc/98/72/17/1359987217.db2.gz XLSGEALJBOPMOI-FMKPAKJESA-N 2 1 337.533 3.048 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001088604989 1359989326 /nfs/dbraw/zinc/98/93/26/1359989326.db2.gz BWDBPRHEYLNLQI-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1C ZINC001088604989 1359989330 /nfs/dbraw/zinc/98/93/30/1359989330.db2.gz BWDBPRHEYLNLQI-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1C ZINC001088604989 1359989333 /nfs/dbraw/zinc/98/93/33/1359989333.db2.gz BWDBPRHEYLNLQI-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001088692915 1360013775 /nfs/dbraw/zinc/01/37/75/1360013775.db2.gz CYEBTLCFNHQSBR-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1C ZINC001088692915 1360013778 /nfs/dbraw/zinc/01/37/78/1360013778.db2.gz CYEBTLCFNHQSBR-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1C ZINC001088692915 1360013782 /nfs/dbraw/zinc/01/37/82/1360013782.db2.gz CYEBTLCFNHQSBR-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)ccc2c[nH+]cn21 ZINC001088688384 1360013862 /nfs/dbraw/zinc/01/38/62/1360013862.db2.gz ISCPGPPZXMCIOX-UZLBHIALSA-N 2 1 348.450 3.036 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1CCCC1CCC1 ZINC001088710258 1360018022 /nfs/dbraw/zinc/01/80/22/1360018022.db2.gz DNEWPCHGJBXUEC-BEFAXECRSA-N 2 1 340.471 3.107 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC[N@H+]1CCCC1CCC1 ZINC001088768871 1360037036 /nfs/dbraw/zinc/03/70/36/1360037036.db2.gz IFMRYNUKBSLCFN-LSTHTHJFSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088769899 1360037353 /nfs/dbraw/zinc/03/73/53/1360037353.db2.gz MDNFMPKKTGHILE-HLIPFELVSA-N 2 1 345.531 3.029 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001088890683 1360093829 /nfs/dbraw/zinc/09/38/29/1360093829.db2.gz HDDNAKSQSYLCFC-WBVHZDCISA-N 2 1 334.508 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001088890683 1360093830 /nfs/dbraw/zinc/09/38/30/1360093830.db2.gz HDDNAKSQSYLCFC-WBVHZDCISA-N 2 1 334.508 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC2CCC2)C1 ZINC001089218183 1360262755 /nfs/dbraw/zinc/26/27/55/1360262755.db2.gz WSXXXTOOVRAHOP-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCCC[C@H]2C[N@H+](C)CC2CCC2)C1 ZINC001089218183 1360262759 /nfs/dbraw/zinc/26/27/59/1360262759.db2.gz WSXXXTOOVRAHOP-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CCC2)C1 ZINC001089218183 1360262761 /nfs/dbraw/zinc/26/27/61/1360262761.db2.gz WSXXXTOOVRAHOP-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401305 1360400800 /nfs/dbraw/zinc/40/08/00/1360400800.db2.gz RRRZCXRCYIQZLW-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089401305 1360400801 /nfs/dbraw/zinc/40/08/01/1360400801.db2.gz RRRZCXRCYIQZLW-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC(C)(C)C1 ZINC001089401305 1360400802 /nfs/dbraw/zinc/40/08/02/1360400802.db2.gz RRRZCXRCYIQZLW-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401310 1360400896 /nfs/dbraw/zinc/40/08/96/1360400896.db2.gz RRRZCXRCYIQZLW-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089401310 1360400898 /nfs/dbraw/zinc/40/08/98/1360400898.db2.gz RRRZCXRCYIQZLW-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC(C)(C)C1 ZINC001089401310 1360400899 /nfs/dbraw/zinc/40/08/99/1360400899.db2.gz RRRZCXRCYIQZLW-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089407479 1360406010 /nfs/dbraw/zinc/40/60/10/1360406010.db2.gz ZYKNVVZEBWUQKB-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089407479 1360406011 /nfs/dbraw/zinc/40/60/11/1360406011.db2.gz ZYKNVVZEBWUQKB-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089407479 1360406013 /nfs/dbraw/zinc/40/60/13/1360406013.db2.gz ZYKNVVZEBWUQKB-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445395 1360434403 /nfs/dbraw/zinc/43/44/03/1360434403.db2.gz HSWKZBQFVBIQRY-RTBURBONSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCC)CC(C)(C)C2)C1 ZINC001089472205 1360455651 /nfs/dbraw/zinc/45/56/51/1360455651.db2.gz DPYKHMRLBJCINI-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CCC)CC(C)(C)C2)C1 ZINC001089472205 1360455654 /nfs/dbraw/zinc/45/56/54/1360455654.db2.gz DPYKHMRLBJCINI-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC)CC(C)(C)C2)C1 ZINC001089472205 1360455657 /nfs/dbraw/zinc/45/56/57/1360455657.db2.gz DPYKHMRLBJCINI-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510335 1360481557 /nfs/dbraw/zinc/48/15/57/1360481557.db2.gz RIDPSHCJZUTBNT-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089650214 1360563868 /nfs/dbraw/zinc/56/38/68/1360563868.db2.gz WHMKNPCIJGZTFA-IRXDYDNUSA-N 2 1 346.519 3.167 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001089650214 1360563871 /nfs/dbraw/zinc/56/38/71/1360563871.db2.gz WHMKNPCIJGZTFA-IRXDYDNUSA-N 2 1 346.519 3.167 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001089694133 1360599144 /nfs/dbraw/zinc/59/91/44/1360599144.db2.gz SXRIWGKIWNBWJT-LJQANCHMSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001091267429 1361026804 /nfs/dbraw/zinc/02/68/04/1361026804.db2.gz KOLGEXFZRIMWJL-SOAGJPPSSA-N 2 1 349.563 3.314 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754147 1361212561 /nfs/dbraw/zinc/21/25/61/1361212561.db2.gz GEJWTIQRAVHMDT-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754147 1361212564 /nfs/dbraw/zinc/21/25/64/1361212564.db2.gz GEJWTIQRAVHMDT-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754147 1361212566 /nfs/dbraw/zinc/21/25/66/1361212566.db2.gz GEJWTIQRAVHMDT-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092508393 1361400981 /nfs/dbraw/zinc/40/09/81/1361400981.db2.gz ZMDMNZKRNKZNKD-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092508393 1361400984 /nfs/dbraw/zinc/40/09/84/1361400984.db2.gz ZMDMNZKRNKZNKD-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092508393 1361400985 /nfs/dbraw/zinc/40/09/85/1361400985.db2.gz ZMDMNZKRNKZNKD-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CCCC(C)C)[C@@H](C)C1 ZINC001184710987 1387516067 /nfs/dbraw/zinc/51/60/67/1387516067.db2.gz AUBXVNZYIQNRGV-ZWKOTPCHSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907472 1361484479 /nfs/dbraw/zinc/48/44/79/1361484479.db2.gz OBRFTEBULHBWGB-QWFCFKBJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907472 1361484481 /nfs/dbraw/zinc/48/44/81/1361484481.db2.gz OBRFTEBULHBWGB-QWFCFKBJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907472 1361484483 /nfs/dbraw/zinc/48/44/83/1361484483.db2.gz OBRFTEBULHBWGB-QWFCFKBJSA-N 2 1 349.563 3.124 20 0 EGADMP CCCCCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001184712304 1387517080 /nfs/dbraw/zinc/51/70/80/1387517080.db2.gz LVWHCUMQBKGODO-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001093225907 1361552420 /nfs/dbraw/zinc/55/24/20/1361552420.db2.gz UHSTTZIRNFLRQI-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001093225907 1361552423 /nfs/dbraw/zinc/55/24/23/1361552423.db2.gz UHSTTZIRNFLRQI-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H](C(=O)N1CCC([C@H]2[N@@H+](CC(C)C)CC23CCC3)CC1)[NH+](C)C ZINC001093379617 1361590453 /nfs/dbraw/zinc/59/04/53/1361590453.db2.gz DRAUWTIWKLYGKW-RBUKOAKNSA-N 2 1 349.563 3.076 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC)CC2 ZINC001094557347 1361858480 /nfs/dbraw/zinc/85/84/80/1361858480.db2.gz TZXUBSMWFOWRLH-QKNQBKEWSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC)CC2 ZINC001094557347 1361858482 /nfs/dbraw/zinc/85/84/82/1361858482.db2.gz TZXUBSMWFOWRLH-QKNQBKEWSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC)CC2 ZINC001094557347 1361858484 /nfs/dbraw/zinc/85/84/84/1361858484.db2.gz TZXUBSMWFOWRLH-QKNQBKEWSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCCC2)CC[N@H+]1C ZINC001095438763 1362140934 /nfs/dbraw/zinc/14/09/34/1362140934.db2.gz HTQISHXDBNYTDO-XLSIIYIISA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCCC2)CC[NH+]1C ZINC001095438763 1362140936 /nfs/dbraw/zinc/14/09/36/1362140936.db2.gz HTQISHXDBNYTDO-XLSIIYIISA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCCC2)CC[NH+]1C ZINC001095438763 1362140937 /nfs/dbraw/zinc/14/09/37/1362140937.db2.gz HTQISHXDBNYTDO-XLSIIYIISA-N 2 1 347.547 3.019 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001095498750 1362157300 /nfs/dbraw/zinc/15/73/00/1362157300.db2.gz CPOZOEFGYBDFFJ-XWSJACJDSA-N 2 1 347.547 3.019 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1 ZINC001095498750 1362157302 /nfs/dbraw/zinc/15/73/02/1362157302.db2.gz CPOZOEFGYBDFFJ-XWSJACJDSA-N 2 1 347.547 3.019 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1 ZINC001095498750 1362157303 /nfs/dbraw/zinc/15/73/03/1362157303.db2.gz CPOZOEFGYBDFFJ-XWSJACJDSA-N 2 1 347.547 3.019 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001095624464 1362188715 /nfs/dbraw/zinc/18/87/15/1362188715.db2.gz DOSRWKNQBJVIQX-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001095624464 1362188717 /nfs/dbraw/zinc/18/87/17/1362188717.db2.gz DOSRWKNQBJVIQX-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001095624464 1362188719 /nfs/dbraw/zinc/18/87/19/1362188719.db2.gz DOSRWKNQBJVIQX-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001095624464 1362188721 /nfs/dbraw/zinc/18/87/21/1362188721.db2.gz DOSRWKNQBJVIQX-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001096012158 1362334118 /nfs/dbraw/zinc/33/41/18/1362334118.db2.gz NUELPHXHERMOSH-LMCOJAPRSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001096012158 1362334120 /nfs/dbraw/zinc/33/41/20/1362334120.db2.gz NUELPHXHERMOSH-LMCOJAPRSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001096012158 1362334126 /nfs/dbraw/zinc/33/41/26/1362334126.db2.gz NUELPHXHERMOSH-LMCOJAPRSA-N 2 1 347.547 3.163 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001096100913 1362382986 /nfs/dbraw/zinc/38/29/86/1362382986.db2.gz JVVZCTJQMGUXRQ-RNQOJCNYSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001096176556 1362416147 /nfs/dbraw/zinc/41/61/47/1362416147.db2.gz ZINDPHUGSUPPRM-XCLNPWKQSA-N 2 1 343.515 3.129 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1C ZINC001324262497 1387574200 /nfs/dbraw/zinc/57/42/00/1387574200.db2.gz GEERSVOLJUBYSN-RBUKOAKNSA-N 2 1 345.531 3.369 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001096313348 1362460489 /nfs/dbraw/zinc/46/04/89/1362460489.db2.gz CKSLWOUHRZTRBJ-YDZRNGNQSA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001096313348 1362460493 /nfs/dbraw/zinc/46/04/93/1362460493.db2.gz CKSLWOUHRZTRBJ-YDZRNGNQSA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CCCC)C2 ZINC001096313348 1362460496 /nfs/dbraw/zinc/46/04/96/1362460496.db2.gz CKSLWOUHRZTRBJ-YDZRNGNQSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCC2)CC1 ZINC001098137678 1363231227 /nfs/dbraw/zinc/23/12/27/1363231227.db2.gz QXXILSLCCXGTRI-AQNXPRMDSA-N 2 1 347.547 3.019 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001098191267 1363250202 /nfs/dbraw/zinc/25/02/02/1363250202.db2.gz CKSLWOUHRZTRBJ-AKHDSKFASA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001098191267 1363250208 /nfs/dbraw/zinc/25/02/08/1363250208.db2.gz CKSLWOUHRZTRBJ-AKHDSKFASA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1CCCC)C2 ZINC001098191267 1363250212 /nfs/dbraw/zinc/25/02/12/1363250212.db2.gz CKSLWOUHRZTRBJ-AKHDSKFASA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001098191268 1363250409 /nfs/dbraw/zinc/25/04/09/1363250409.db2.gz CKSLWOUHRZTRBJ-YRXWBPOGSA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001098191268 1363250412 /nfs/dbraw/zinc/25/04/12/1363250412.db2.gz CKSLWOUHRZTRBJ-YRXWBPOGSA-N 2 1 335.536 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CCCC)C2 ZINC001098191268 1363250416 /nfs/dbraw/zinc/25/04/16/1363250416.db2.gz CKSLWOUHRZTRBJ-YRXWBPOGSA-N 2 1 335.536 3.163 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001185119192 1387622781 /nfs/dbraw/zinc/62/27/81/1387622781.db2.gz AJPREPZKTGHSRN-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185171479 1387632249 /nfs/dbraw/zinc/63/22/49/1387632249.db2.gz WHWOQAHMOZFPPE-RJCMGOLDSA-N 2 1 349.563 3.149 20 0 EGADMP C[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1CC1)C2)[NH+]1CCCCCC1 ZINC001099059985 1363600294 /nfs/dbraw/zinc/60/02/94/1363600294.db2.gz SSDYUHORFHYZFF-CUWPLCDZSA-N 2 1 347.547 3.022 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001099075157 1363609590 /nfs/dbraw/zinc/60/95/90/1363609590.db2.gz VINQZFUNNMYEAU-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099110812 1363629092 /nfs/dbraw/zinc/62/90/92/1363629092.db2.gz JIHNVSBJYRWGDV-SFHVURJKSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110812 1363629093 /nfs/dbraw/zinc/62/90/93/1363629093.db2.gz JIHNVSBJYRWGDV-SFHVURJKSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110812 1363629095 /nfs/dbraw/zinc/62/90/95/1363629095.db2.gz JIHNVSBJYRWGDV-SFHVURJKSA-N 2 1 335.536 3.044 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1=CCCCC1 ZINC001099198861 1363687817 /nfs/dbraw/zinc/68/78/17/1363687817.db2.gz GRQIZDYUQFCZNJ-IBGZPJMESA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001099198428 1363688132 /nfs/dbraw/zinc/68/81/32/1363688132.db2.gz AQPANSUHLFZNMX-DVBCCOPCSA-N 2 1 337.552 3.291 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001099234531 1363705257 /nfs/dbraw/zinc/70/52/57/1363705257.db2.gz JUNHSJMREQBNBI-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1 ZINC001099234531 1363705259 /nfs/dbraw/zinc/70/52/59/1363705259.db2.gz JUNHSJMREQBNBI-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCCC1 ZINC001099234531 1363705261 /nfs/dbraw/zinc/70/52/61/1363705261.db2.gz JUNHSJMREQBNBI-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099234020 1363705640 /nfs/dbraw/zinc/70/56/40/1363705640.db2.gz GBTODHPGSHLPED-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001099234020 1363705641 /nfs/dbraw/zinc/70/56/41/1363705641.db2.gz GBTODHPGSHLPED-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001099234020 1363705646 /nfs/dbraw/zinc/70/56/46/1363705646.db2.gz GBTODHPGSHLPED-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099235141 1363706654 /nfs/dbraw/zinc/70/66/54/1363706654.db2.gz POZIWVUXWVIYCP-LXORQPIJSA-N 2 1 349.563 3.434 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC(C)(C)C ZINC001099297411 1363736917 /nfs/dbraw/zinc/73/69/17/1363736917.db2.gz GDDDVWMIMQRYAL-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C ZINC001099297411 1363736922 /nfs/dbraw/zinc/73/69/22/1363736922.db2.gz GDDDVWMIMQRYAL-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C ZINC001099297411 1363736924 /nfs/dbraw/zinc/73/69/24/1363736924.db2.gz GDDDVWMIMQRYAL-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC(C)CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001099311138 1363744732 /nfs/dbraw/zinc/74/47/32/1363744732.db2.gz YIYAZYIINWAJLW-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001099321228 1363749040 /nfs/dbraw/zinc/74/90/40/1363749040.db2.gz RFHDLXMQHSOXHZ-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001099321228 1363749042 /nfs/dbraw/zinc/74/90/42/1363749042.db2.gz RFHDLXMQHSOXHZ-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001099321228 1363749039 /nfs/dbraw/zinc/74/90/39/1363749039.db2.gz RFHDLXMQHSOXHZ-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001099335505 1363757331 /nfs/dbraw/zinc/75/73/31/1363757331.db2.gz WWJQVHNWPCLBJK-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001099335505 1363757333 /nfs/dbraw/zinc/75/73/33/1363757333.db2.gz WWJQVHNWPCLBJK-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001099335505 1363757336 /nfs/dbraw/zinc/75/73/36/1363757336.db2.gz WWJQVHNWPCLBJK-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099338820 1363758734 /nfs/dbraw/zinc/75/87/34/1363758734.db2.gz ATCWZPXKMVPZBB-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001099495764 1363820478 /nfs/dbraw/zinc/82/04/78/1363820478.db2.gz CKBQBUQVTHWSKQ-VJANTYMQSA-N 2 1 349.563 3.076 20 0 EGADMP CCCCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001099495764 1363820479 /nfs/dbraw/zinc/82/04/79/1363820479.db2.gz CKBQBUQVTHWSKQ-VJANTYMQSA-N 2 1 349.563 3.076 20 0 EGADMP CCCCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001099495764 1363820480 /nfs/dbraw/zinc/82/04/80/1363820480.db2.gz CKBQBUQVTHWSKQ-VJANTYMQSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001100405679 1364103560 /nfs/dbraw/zinc/10/35/60/1364103560.db2.gz IMGMLDSHLPLGHU-MHJFOBGBSA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001100459841 1364122297 /nfs/dbraw/zinc/12/22/97/1364122297.db2.gz AELHCPMBPSUBBB-UHFFFAOYSA-N 2 1 325.541 3.027 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001100468677 1364125577 /nfs/dbraw/zinc/12/55/77/1364125577.db2.gz JSCAEGYYTQPIES-KLAILNCOSA-N 2 1 337.552 3.170 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2CC([NH2+]CCC(C)(C)C)C2)C1 ZINC001100599194 1364182905 /nfs/dbraw/zinc/18/29/05/1364182905.db2.gz OJQAIYLFQBZXFO-ADKAHSJRSA-N 2 1 337.552 3.029 20 0 EGADMP CC(C)=CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001100601911 1364184622 /nfs/dbraw/zinc/18/46/22/1364184622.db2.gz KCHCJPRNEZDQCW-AFMYVXGZSA-N 2 1 347.547 3.234 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)(C)C ZINC001324545563 1387665636 /nfs/dbraw/zinc/66/56/36/1387665636.db2.gz QBYURTZPZIJOIN-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)(C)C ZINC001324545563 1387665641 /nfs/dbraw/zinc/66/56/41/1387665641.db2.gz QBYURTZPZIJOIN-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C ZINC001324545563 1387665643 /nfs/dbraw/zinc/66/56/43/1387665643.db2.gz QBYURTZPZIJOIN-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001100729972 1364238098 /nfs/dbraw/zinc/23/80/98/1364238098.db2.gz YHGSXPWHWLWBBW-CTWPCTMYSA-N 2 1 337.552 3.170 20 0 EGADMP CC(C)CCC[NH2+]C1CC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001101034891 1364383430 /nfs/dbraw/zinc/38/34/30/1364383430.db2.gz OWSDKPNUVISOFY-LYBXBRPPSA-N 2 1 345.531 3.210 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCCC(C)C)C[C@@]2(C)C1 ZINC001101476178 1364575737 /nfs/dbraw/zinc/57/57/37/1364575737.db2.gz GYKJOMMSHOJGSF-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCCC(C)C)C[C@@]2(C)C1 ZINC001101476178 1364575741 /nfs/dbraw/zinc/57/57/41/1364575741.db2.gz GYKJOMMSHOJGSF-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCCC(C)C)C[C@@]2(C)C1 ZINC001101476178 1364575746 /nfs/dbraw/zinc/57/57/46/1364575746.db2.gz GYKJOMMSHOJGSF-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CC/C=C\CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001101522058 1364596976 /nfs/dbraw/zinc/59/69/76/1364596976.db2.gz LCLWOCKHPGDRKO-RURPWVQCSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001101540603 1364606845 /nfs/dbraw/zinc/60/68/45/1364606845.db2.gz LCWGMYPYJIVGTN-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001101541407 1364607461 /nfs/dbraw/zinc/60/74/61/1364607461.db2.gz DHGFRJVAHVHRDX-MJGOQNOKSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001101547451 1364611525 /nfs/dbraw/zinc/61/15/25/1364611525.db2.gz BIBZZRFPJDUWRF-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001101574779 1364628999 /nfs/dbraw/zinc/62/89/99/1364628999.db2.gz CTDIUCHZCJDIEW-GOSISDBHSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001101590490 1364641122 /nfs/dbraw/zinc/64/11/22/1364641122.db2.gz UOUXBAOAOIAKHA-GOSISDBHSA-N 2 1 349.563 3.149 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001102021357 1364813507 /nfs/dbraw/zinc/81/35/07/1364813507.db2.gz MXPFSFWNNUPQHT-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H](C)C1 ZINC001102021357 1364813511 /nfs/dbraw/zinc/81/35/11/1364813511.db2.gz MXPFSFWNNUPQHT-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)[C@H](C)C1 ZINC001102021357 1364813516 /nfs/dbraw/zinc/81/35/16/1364813516.db2.gz MXPFSFWNNUPQHT-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102044968 1364821999 /nfs/dbraw/zinc/82/19/99/1364821999.db2.gz MEQIYTXYPGCGNH-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1C[C@@H](CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102044968 1364822003 /nfs/dbraw/zinc/82/20/03/1364822003.db2.gz MEQIYTXYPGCGNH-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1C[C@@H](CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001102044968 1364822007 /nfs/dbraw/zinc/82/20/07/1364822007.db2.gz MEQIYTXYPGCGNH-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294064 1364988046 /nfs/dbraw/zinc/98/80/46/1364988046.db2.gz GIEBFKUJCZXENT-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102430355 1365050914 /nfs/dbraw/zinc/05/09/14/1365050914.db2.gz NPYHHDPGAAECRA-HPFJUIBNSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102598853 1365130440 /nfs/dbraw/zinc/13/04/40/1365130440.db2.gz CVXPGYQPFMRLOE-UYAOXDASSA-N 2 1 349.563 3.127 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103004905 1365334366 /nfs/dbraw/zinc/33/43/66/1365334366.db2.gz FKQUTGXAZPLHDW-CCUKAZOQSA-N 2 1 349.563 3.147 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001103004905 1365334370 /nfs/dbraw/zinc/33/43/70/1365334370.db2.gz FKQUTGXAZPLHDW-CCUKAZOQSA-N 2 1 349.563 3.147 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001103004905 1365334375 /nfs/dbraw/zinc/33/43/75/1365334375.db2.gz FKQUTGXAZPLHDW-CCUKAZOQSA-N 2 1 349.563 3.147 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCCC(C)C)[C@@H](C)C1 ZINC001185550591 1387745826 /nfs/dbraw/zinc/74/58/26/1387745826.db2.gz VKHYXDOKJDHWLN-OALUTQOASA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1 ZINC001185550163 1387746048 /nfs/dbraw/zinc/74/60/48/1387746048.db2.gz STLQUCDBMPTMSS-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103435915 1365558635 /nfs/dbraw/zinc/55/86/35/1365558635.db2.gz DIPBPQIFAJVALX-AHYCVCGYSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001103435915 1365558639 /nfs/dbraw/zinc/55/86/39/1365558639.db2.gz DIPBPQIFAJVALX-AHYCVCGYSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001103435915 1365558641 /nfs/dbraw/zinc/55/86/41/1365558641.db2.gz DIPBPQIFAJVALX-AHYCVCGYSA-N 2 1 349.563 3.149 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001103751477 1365763889 /nfs/dbraw/zinc/76/38/89/1365763889.db2.gz AIFRBZOUZWBETF-RTBURBONSA-N 2 1 337.552 3.127 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001103756890 1365766791 /nfs/dbraw/zinc/76/67/91/1365766791.db2.gz FFOVJADEXJBBDD-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001103756890 1365766795 /nfs/dbraw/zinc/76/67/95/1365766795.db2.gz FFOVJADEXJBBDD-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001103756890 1365766798 /nfs/dbraw/zinc/76/67/98/1365766798.db2.gz FFOVJADEXJBBDD-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104310751 1365979278 /nfs/dbraw/zinc/97/92/78/1365979278.db2.gz GSSSEISCRVFUKQ-HPFJUIBNSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104355009 1365983956 /nfs/dbraw/zinc/98/39/56/1365983956.db2.gz JWLVPSXGJYJGMD-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@](C)(C[NH2+][C@@H](CC)c2ccccc2)C1 ZINC001324817311 1387782821 /nfs/dbraw/zinc/78/28/21/1387782821.db2.gz FTUZMJJHIIWGGX-PZJWPPBQSA-N 2 1 345.531 3.308 20 0 EGADMP CCCC[NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001104752793 1366157232 /nfs/dbraw/zinc/15/72/32/1366157232.db2.gz LYEZKOZYDPPJTI-QZTJIDSGSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001105542522 1366520704 /nfs/dbraw/zinc/52/07/04/1366520704.db2.gz XAMFXDJJYBYTSU-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)CCC1 ZINC001105549232 1366524764 /nfs/dbraw/zinc/52/47/64/1366524764.db2.gz FEKJPHFTNOGDAK-SFHVURJKSA-N 2 1 346.519 3.133 20 0 EGADMP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105575263 1366540458 /nfs/dbraw/zinc/54/04/58/1366540458.db2.gz WUDXTMJEGSXFFM-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105577678 1366542182 /nfs/dbraw/zinc/54/21/82/1366542182.db2.gz YJAZIKCHOJQRSQ-MOPGFXCFSA-N 2 1 347.547 3.045 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H](C[NH2+]CC=C(C)C)[C@H](C)C1 ZINC001106150933 1366614505 /nfs/dbraw/zinc/61/45/05/1366614505.db2.gz IDTQYPWTUCBLBB-KZNAEPCWSA-N 2 1 346.519 3.047 20 0 EGADMP CC(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106574407 1366741366 /nfs/dbraw/zinc/74/13/66/1366741366.db2.gz IBBFJAJAMAVNMS-GGPKGHCWSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106574328 1366741402 /nfs/dbraw/zinc/74/14/02/1366741402.db2.gz HKZDLSVPWZGMCP-GGPKGHCWSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106574329 1366741459 /nfs/dbraw/zinc/74/14/59/1366741459.db2.gz HKZDLSVPWZGMCP-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001106673362 1366770491 /nfs/dbraw/zinc/77/04/91/1366770491.db2.gz WKTXZHPNYMRGFM-IEBWSBKVSA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001106729741 1366783141 /nfs/dbraw/zinc/78/31/41/1366783141.db2.gz XNLJQEABENDMCH-AHSYYPKJSA-N 2 1 349.563 3.290 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC=C(C)C)[C@H](C)C1 ZINC001106860049 1366818319 /nfs/dbraw/zinc/81/83/19/1366818319.db2.gz GNXWUQBBIRDTQG-VAMGGRTRSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328994 1366930059 /nfs/dbraw/zinc/93/00/59/1366930059.db2.gz DTBXDMLFAGSGRQ-IAOFLLFISA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107328994 1366930062 /nfs/dbraw/zinc/93/00/62/1366930062.db2.gz DTBXDMLFAGSGRQ-IAOFLLFISA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107328994 1366930064 /nfs/dbraw/zinc/93/00/64/1366930064.db2.gz DTBXDMLFAGSGRQ-IAOFLLFISA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC=C(C)C)CC2)[NH+](CC)CC ZINC001107543955 1367035728 /nfs/dbraw/zinc/03/57/28/1367035728.db2.gz FVNKBUFWCIBFOH-QKNQBKEWSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC(C)C)CC2 ZINC001107583073 1367057618 /nfs/dbraw/zinc/05/76/18/1367057618.db2.gz OGIYAHDIXAJBSG-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107646312 1367090274 /nfs/dbraw/zinc/09/02/74/1367090274.db2.gz GUQLMKCYGSXQOX-SVFBPWRDSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](c3ccccc3)[NH+](C)C)CCC[C@@H]12 ZINC001107646312 1367090280 /nfs/dbraw/zinc/09/02/80/1367090280.db2.gz GUQLMKCYGSXQOX-SVFBPWRDSA-N 2 1 343.515 3.060 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107652130 1367095064 /nfs/dbraw/zinc/09/50/64/1367095064.db2.gz DBCLJZQNSGDHCZ-TZIWHRDSSA-N 2 1 349.563 3.413 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109428136 1367116017 /nfs/dbraw/zinc/11/60/17/1367116017.db2.gz OTEUBKTVYFEMJH-HTRGGXFCSA-N 2 1 335.536 3.041 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1ccccc1 ZINC001109463918 1367138073 /nfs/dbraw/zinc/13/80/73/1367138073.db2.gz CUCHYTNYKGAKSY-NQYYFHDYSA-N 2 1 343.515 3.199 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ccccc1 ZINC001109463918 1367138079 /nfs/dbraw/zinc/13/80/79/1367138079.db2.gz CUCHYTNYKGAKSY-NQYYFHDYSA-N 2 1 343.515 3.199 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ccccc1 ZINC001109463918 1367138083 /nfs/dbraw/zinc/13/80/83/1367138083.db2.gz CUCHYTNYKGAKSY-NQYYFHDYSA-N 2 1 343.515 3.199 20 0 EGADMP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001109472131 1367143381 /nfs/dbraw/zinc/14/33/81/1367143381.db2.gz YGKDYKLSELFESZ-QYZOEREBSA-N 2 1 347.547 3.327 20 0 EGADMP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109472131 1367143386 /nfs/dbraw/zinc/14/33/86/1367143386.db2.gz YGKDYKLSELFESZ-QYZOEREBSA-N 2 1 347.547 3.327 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109472131 1367143389 /nfs/dbraw/zinc/14/33/89/1367143389.db2.gz YGKDYKLSELFESZ-QYZOEREBSA-N 2 1 347.547 3.327 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109471905 1367143961 /nfs/dbraw/zinc/14/39/61/1367143961.db2.gz OEWRGJOXTOCCSD-NQYYFHDYSA-N 2 1 349.563 3.407 20 0 EGADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001109471905 1367143966 /nfs/dbraw/zinc/14/39/66/1367143966.db2.gz OEWRGJOXTOCCSD-NQYYFHDYSA-N 2 1 349.563 3.407 20 0 EGADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001109471905 1367143968 /nfs/dbraw/zinc/14/39/68/1367143968.db2.gz OEWRGJOXTOCCSD-NQYYFHDYSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485183 1367152718 /nfs/dbraw/zinc/15/27/18/1367152718.db2.gz OKEOPFJBPLBJOR-RDGPPVDQSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190178139 1367192945 /nfs/dbraw/zinc/19/29/45/1367192945.db2.gz TXOKFQSUZHUSDT-UYAOXDASSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190178139 1367192947 /nfs/dbraw/zinc/19/29/47/1367192947.db2.gz TXOKFQSUZHUSDT-UYAOXDASSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190178139 1367192951 /nfs/dbraw/zinc/19/29/51/1367192951.db2.gz TXOKFQSUZHUSDT-UYAOXDASSA-N 2 1 347.547 3.140 20 0 EGADMP CCc1nccn1[C@H](C)CC(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001190248122 1367208784 /nfs/dbraw/zinc/20/87/84/1367208784.db2.gz WZUAKNCEBJVPAZ-SJORKVTESA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001190248122 1367208788 /nfs/dbraw/zinc/20/87/88/1367208788.db2.gz WZUAKNCEBJVPAZ-SJORKVTESA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001190248122 1367208792 /nfs/dbraw/zinc/20/87/92/1367208792.db2.gz WZUAKNCEBJVPAZ-SJORKVTESA-N 2 1 348.535 3.366 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190324208 1367227055 /nfs/dbraw/zinc/22/70/55/1367227055.db2.gz IOPPGLHXQPUORR-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109652692 1367265739 /nfs/dbraw/zinc/26/57/39/1367265739.db2.gz FKKGVYWYDYQMRB-JYBIWHBTSA-N 2 1 343.515 3.119 20 0 EGADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001190443152 1367267904 /nfs/dbraw/zinc/26/79/04/1367267904.db2.gz FITHUFZPVQGFFT-DLBZAZTESA-N 2 1 343.531 3.025 20 0 EGADMP CC(C)(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481618 1367274812 /nfs/dbraw/zinc/27/48/12/1367274812.db2.gz YBVDBFYVBGNGQJ-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001109714575 1367289637 /nfs/dbraw/zinc/28/96/37/1367289637.db2.gz PEBMBCSELYLKGK-RDLJDDSDSA-N 2 1 335.536 3.185 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109719068 1367291864 /nfs/dbraw/zinc/29/18/64/1367291864.db2.gz TVDPWELPIPIXPV-MHORFTMASA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001109719068 1367291866 /nfs/dbraw/zinc/29/18/66/1367291866.db2.gz TVDPWELPIPIXPV-MHORFTMASA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001109719068 1367291869 /nfs/dbraw/zinc/29/18/69/1367291869.db2.gz TVDPWELPIPIXPV-MHORFTMASA-N 2 1 335.536 3.019 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C)CC(C)(C)C ZINC001109724211 1367293423 /nfs/dbraw/zinc/29/34/23/1367293423.db2.gz HPPAHLOKPDMDDW-IKGGRYGDSA-N 2 1 337.552 3.122 20 0 EGADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C)CC(C)(C)C ZINC001109724211 1367293425 /nfs/dbraw/zinc/29/34/25/1367293425.db2.gz HPPAHLOKPDMDDW-IKGGRYGDSA-N 2 1 337.552 3.122 20 0 EGADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C)CC(C)(C)C ZINC001109724211 1367293430 /nfs/dbraw/zinc/29/34/30/1367293430.db2.gz HPPAHLOKPDMDDW-IKGGRYGDSA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656853 1367320609 /nfs/dbraw/zinc/32/06/09/1367320609.db2.gz WXWBFZNFHLKVPL-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190656853 1367320616 /nfs/dbraw/zinc/32/06/16/1367320616.db2.gz WXWBFZNFHLKVPL-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190656853 1367320621 /nfs/dbraw/zinc/32/06/21/1367320621.db2.gz WXWBFZNFHLKVPL-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)C ZINC001109845058 1367354275 /nfs/dbraw/zinc/35/42/75/1367354275.db2.gz SGWCKCACUMIUBB-QYZOEREBSA-N 2 1 346.519 3.129 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C ZINC001109845058 1367354280 /nfs/dbraw/zinc/35/42/80/1367354280.db2.gz SGWCKCACUMIUBB-QYZOEREBSA-N 2 1 346.519 3.129 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190890569 1367375888 /nfs/dbraw/zinc/37/58/88/1367375888.db2.gz SPKRMDUUMDZKIL-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2ccccc2)C1 ZINC001190997118 1367399082 /nfs/dbraw/zinc/39/90/82/1367399082.db2.gz QZSWHINDFPPEAD-SJLPKXTDSA-N 2 1 331.504 3.011 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2ccccc2)C1 ZINC001190997118 1367399088 /nfs/dbraw/zinc/39/90/88/1367399088.db2.gz QZSWHINDFPPEAD-SJLPKXTDSA-N 2 1 331.504 3.011 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2ccccc2)C1 ZINC001190997118 1367399091 /nfs/dbraw/zinc/39/90/91/1367399091.db2.gz QZSWHINDFPPEAD-SJLPKXTDSA-N 2 1 331.504 3.011 20 0 EGADMP CC(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191061892 1367414598 /nfs/dbraw/zinc/41/45/98/1367414598.db2.gz NGKXOVOXUPWHLB-SFHVURJKSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001191061892 1367414600 /nfs/dbraw/zinc/41/46/00/1367414600.db2.gz NGKXOVOXUPWHLB-SFHVURJKSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001191061892 1367414604 /nfs/dbraw/zinc/41/46/04/1367414604.db2.gz NGKXOVOXUPWHLB-SFHVURJKSA-N 2 1 337.552 3.218 20 0 EGADMP C[N@@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191137248 1367430070 /nfs/dbraw/zinc/43/00/70/1367430070.db2.gz VKJFDZMNMISMGX-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115177 1367507660 /nfs/dbraw/zinc/50/76/60/1367507660.db2.gz RCWROUYEGPQIII-HBPFPQFOSA-N 2 1 347.547 3.330 20 0 EGADMP CC1CC(C[N@@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001191551375 1367526069 /nfs/dbraw/zinc/52/60/69/1367526069.db2.gz KUVJHLMHJHOPNU-QLOJAFMTSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CC(C[NH+](C)[C@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001191551375 1367526070 /nfs/dbraw/zinc/52/60/70/1367526070.db2.gz KUVJHLMHJHOPNU-QLOJAFMTSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CC(C[NH+](C)[C@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001191551375 1367526077 /nfs/dbraw/zinc/52/60/77/1367526077.db2.gz KUVJHLMHJHOPNU-QLOJAFMTSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1)[NH+]1CCCCC1 ZINC001110158834 1367531659 /nfs/dbraw/zinc/53/16/59/1367531659.db2.gz VRDHSFBKZADOLB-FYQPLNBISA-N 2 1 347.547 3.019 20 0 EGADMP CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001108766502 1367582438 /nfs/dbraw/zinc/58/24/38/1367582438.db2.gz ZEUISVZFQHDBIN-FHWLQOOXSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001191921352 1367639939 /nfs/dbraw/zinc/63/99/39/1367639939.db2.gz ARNPMZAVWUEVQU-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001191921352 1367639947 /nfs/dbraw/zinc/63/99/47/1367639947.db2.gz ARNPMZAVWUEVQU-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001191921352 1367639953 /nfs/dbraw/zinc/63/99/53/1367639953.db2.gz ARNPMZAVWUEVQU-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946865 1367646192 /nfs/dbraw/zinc/64/61/92/1367646192.db2.gz FSTLPHCVKKKLGT-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191946865 1367646195 /nfs/dbraw/zinc/64/61/95/1367646195.db2.gz FSTLPHCVKKKLGT-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191946865 1367646201 /nfs/dbraw/zinc/64/62/01/1367646201.db2.gz FSTLPHCVKKKLGT-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CC[C@@H]([N@@H+](C)CCC3CCCCCC3)C2)CC1 ZINC001192017060 1367665397 /nfs/dbraw/zinc/66/53/97/1367665397.db2.gz NRPCQVQZIQYZDA-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C1)[NH+](CC)CC ZINC001192317696 1367748655 /nfs/dbraw/zinc/74/86/55/1367748655.db2.gz ULZHHRHMQVPHEY-RTBURBONSA-N 2 1 335.536 3.140 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1)[NH+](CC)CC ZINC001192326873 1367754295 /nfs/dbraw/zinc/75/42/95/1367754295.db2.gz UBGYHVSQIKIDTB-ZWKOTPCHSA-N 2 1 337.552 3.076 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)C ZINC001110578578 1367845566 /nfs/dbraw/zinc/84/55/66/1367845566.db2.gz NMDKYHAYPKFEFR-TVFCKZIOSA-N 2 1 346.519 3.164 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001110578578 1367845569 /nfs/dbraw/zinc/84/55/69/1367845569.db2.gz NMDKYHAYPKFEFR-TVFCKZIOSA-N 2 1 346.519 3.164 20 0 EGADMP C[N@@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192680413 1367848050 /nfs/dbraw/zinc/84/80/50/1367848050.db2.gz QHRYIKDUZWBVHW-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192947081 1367908935 /nfs/dbraw/zinc/90/89/35/1367908935.db2.gz HLEVZGSYRBFWBO-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001110736547 1367954324 /nfs/dbraw/zinc/95/43/24/1367954324.db2.gz BWHLEMNYADIAKG-FYGUHAFLSA-N 2 1 335.536 3.185 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001110736547 1367954329 /nfs/dbraw/zinc/95/43/29/1367954329.db2.gz BWHLEMNYADIAKG-FYGUHAFLSA-N 2 1 335.536 3.185 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001110736547 1367954333 /nfs/dbraw/zinc/95/43/33/1367954333.db2.gz BWHLEMNYADIAKG-FYGUHAFLSA-N 2 1 335.536 3.185 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771434 1367971640 /nfs/dbraw/zinc/97/16/40/1367971640.db2.gz RQMVCWJWMMHDBE-YOOHZWDDSA-N 2 1 338.455 3.026 20 0 EGADMP CCCc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)CC)C2)cc1 ZINC001193291209 1367990474 /nfs/dbraw/zinc/99/04/74/1367990474.db2.gz FYNXZTKWMJDEGU-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCCc1ccc(C[NH+](C)[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C2)cc1 ZINC001193291209 1367990481 /nfs/dbraw/zinc/99/04/81/1367990481.db2.gz FYNXZTKWMJDEGU-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCCc1ccc(C[NH+](C)[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001193291209 1367990484 /nfs/dbraw/zinc/99/04/84/1367990484.db2.gz FYNXZTKWMJDEGU-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423464 1368025162 /nfs/dbraw/zinc/02/51/62/1368025162.db2.gz ACZPWBXTWVOQMO-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193423464 1368025166 /nfs/dbraw/zinc/02/51/66/1368025166.db2.gz ACZPWBXTWVOQMO-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193423464 1368025173 /nfs/dbraw/zinc/02/51/73/1368025173.db2.gz ACZPWBXTWVOQMO-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862539 1368041629 /nfs/dbraw/zinc/04/16/29/1368041629.db2.gz VBAAESSCWFBZBB-AXTJNSDUSA-N 2 1 347.547 3.329 20 0 EGADMP C[C@H](c1ccccc1F)[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193559011 1368060687 /nfs/dbraw/zinc/06/06/87/1368060687.db2.gz GOCMNQQIQYVRHS-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558961 1368061301 /nfs/dbraw/zinc/06/13/01/1368061301.db2.gz FVWLLIXCRXLSJD-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP Cc1cc(C)cc(C[N@H+](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001193559809 1368061359 /nfs/dbraw/zinc/06/13/59/1368061359.db2.gz MCWYREKJYYNGPU-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC(C)C)C1 ZINC001110934629 1368104542 /nfs/dbraw/zinc/10/45/42/1368104542.db2.gz JQJYDZIWUKOLDE-NMLBUPMWSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC(C)C)C1 ZINC001110934629 1368104545 /nfs/dbraw/zinc/10/45/45/1368104545.db2.gz JQJYDZIWUKOLDE-NMLBUPMWSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC(C)C)C1 ZINC001110934629 1368104551 /nfs/dbraw/zinc/10/45/51/1368104551.db2.gz JQJYDZIWUKOLDE-NMLBUPMWSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001110934376 1368104851 /nfs/dbraw/zinc/10/48/51/1368104851.db2.gz BDSMAYKUYQPUOL-NMLBUPMWSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001110934376 1368104856 /nfs/dbraw/zinc/10/48/56/1368104856.db2.gz BDSMAYKUYQPUOL-NMLBUPMWSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001110934376 1368104860 /nfs/dbraw/zinc/10/48/60/1368104860.db2.gz BDSMAYKUYQPUOL-NMLBUPMWSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC2(CC2)CC1 ZINC001110961025 1368125630 /nfs/dbraw/zinc/12/56/30/1368125630.db2.gz OWHQTHCIJUVIKB-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001110994314 1368137624 /nfs/dbraw/zinc/13/76/24/1368137624.db2.gz XWDXQPUNHXGUDK-YSTOQKLRSA-N 2 1 347.547 3.185 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001111018277 1368144576 /nfs/dbraw/zinc/14/45/76/1368144576.db2.gz PEBMBCSELYLKGK-RCQJJXNJSA-N 2 1 335.536 3.185 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164392 1368174453 /nfs/dbraw/zinc/17/44/53/1368174453.db2.gz XMKUYCPUPIKGNW-YRXWBPOGSA-N 2 1 337.552 3.265 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111180600 1368181744 /nfs/dbraw/zinc/18/17/44/1368181744.db2.gz FGGDKTJZJLGHCC-BNLAEDIXSA-N 2 1 347.547 3.186 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194245736 1368216059 /nfs/dbraw/zinc/21/60/59/1368216059.db2.gz DAECTDURVACEIS-IBGZPJMESA-N 2 1 345.531 3.331 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245528 1368216487 /nfs/dbraw/zinc/21/64/87/1368216487.db2.gz BVNKFMFDJPZSQM-SFFCAUCYSA-N 2 1 335.536 3.142 20 0 EGADMP C[N@@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194246735 1368216934 /nfs/dbraw/zinc/21/69/34/1368216934.db2.gz QNXLGRVCIWDPDY-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001194275368 1368223007 /nfs/dbraw/zinc/22/30/07/1368223007.db2.gz SAVODAOCCNEZHE-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCCc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001194284808 1368223970 /nfs/dbraw/zinc/22/39/70/1368223970.db2.gz OFDIZCYEKSPFGW-FQEVSTJZSA-N 2 1 345.531 3.012 20 0 EGADMP CCCc1ccc(C[NH+](C)[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001194284808 1368223974 /nfs/dbraw/zinc/22/39/74/1368223974.db2.gz OFDIZCYEKSPFGW-FQEVSTJZSA-N 2 1 345.531 3.012 20 0 EGADMP CCCc1ccc(C[NH+](C)[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001194284808 1368223981 /nfs/dbraw/zinc/22/39/81/1368223981.db2.gz OFDIZCYEKSPFGW-FQEVSTJZSA-N 2 1 345.531 3.012 20 0 EGADMP CC(C)c1ccc(C[NH+](C)[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001194284723 1368224798 /nfs/dbraw/zinc/22/47/98/1368224798.db2.gz MNSDQRQOUMBECY-HXUWFJFHSA-N 2 1 345.531 3.183 20 0 EGADMP CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001194284723 1368224802 /nfs/dbraw/zinc/22/48/02/1368224802.db2.gz MNSDQRQOUMBECY-HXUWFJFHSA-N 2 1 345.531 3.183 20 0 EGADMP CC(C)c1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001194284723 1368224804 /nfs/dbraw/zinc/22/48/04/1368224804.db2.gz MNSDQRQOUMBECY-HXUWFJFHSA-N 2 1 345.531 3.183 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC2(CCC2)C1 ZINC001111296768 1368256539 /nfs/dbraw/zinc/25/65/39/1368256539.db2.gz VTMIKBZULMYYNC-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP C[N@@H+](CC1=CCCCC1)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194419904 1368257780 /nfs/dbraw/zinc/25/77/80/1368257780.db2.gz KRFXZPRUHCZYNI-HXUWFJFHSA-N 2 1 347.547 3.286 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429520 1368259548 /nfs/dbraw/zinc/25/95/48/1368259548.db2.gz KBLJAKOOIUHUMO-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP C[N@@H+](CCC1CCCC1)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429107 1368259740 /nfs/dbraw/zinc/25/97/40/1368259740.db2.gz FJAPDSCYFHHQLB-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001186412819 1387937352 /nfs/dbraw/zinc/93/73/52/1387937352.db2.gz SLTKTAQZNCGJNR-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2C[C@H]3CC[NH+](Cc4ccccc4)[C@H]3C2)C1 ZINC001195334908 1368422607 /nfs/dbraw/zinc/42/26/07/1368422607.db2.gz YLROJKSVDUNTHZ-KIZRIRGWSA-N 2 1 341.543 3.171 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)C1 ZINC001195334908 1368422609 /nfs/dbraw/zinc/42/26/09/1368422609.db2.gz YLROJKSVDUNTHZ-KIZRIRGWSA-N 2 1 341.543 3.171 20 0 EGADMP C[C@@H]1C[C@H](C)C[NH+](CCN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)C1 ZINC001195334908 1368422611 /nfs/dbraw/zinc/42/26/11/1368422611.db2.gz YLROJKSVDUNTHZ-KIZRIRGWSA-N 2 1 341.543 3.171 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001111753169 1368444120 /nfs/dbraw/zinc/44/41/20/1368444120.db2.gz FTAPRAFYRYAMAS-JWOJILNUSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001111753169 1368444122 /nfs/dbraw/zinc/44/41/22/1368444122.db2.gz FTAPRAFYRYAMAS-JWOJILNUSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001111753169 1368444126 /nfs/dbraw/zinc/44/41/26/1368444126.db2.gz FTAPRAFYRYAMAS-JWOJILNUSA-N 2 1 347.547 3.044 20 0 EGADMP Fc1ccc(OCC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC001195534834 1368450891 /nfs/dbraw/zinc/45/08/91/1368450891.db2.gz GCFKAEALKRFZOZ-UHFFFAOYSA-N 2 1 349.837 3.465 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785803 1368490341 /nfs/dbraw/zinc/49/03/41/1368490341.db2.gz VYLYZXUYRMCTTL-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001195785803 1368490344 /nfs/dbraw/zinc/49/03/44/1368490344.db2.gz VYLYZXUYRMCTTL-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001195785803 1368490346 /nfs/dbraw/zinc/49/03/46/1368490346.db2.gz VYLYZXUYRMCTTL-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)C[C@H](C)n2ccnc2CC)CC1 ZINC001195900675 1368513094 /nfs/dbraw/zinc/51/30/94/1368513094.db2.gz OZRLZGQBDZQVOP-KRWDZBQOSA-N 2 1 334.508 3.121 20 0 EGADMP CCCCC[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001195900675 1368513097 /nfs/dbraw/zinc/51/30/97/1368513097.db2.gz OZRLZGQBDZQVOP-KRWDZBQOSA-N 2 1 334.508 3.121 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001195900675 1368513100 /nfs/dbraw/zinc/51/31/00/1368513100.db2.gz OZRLZGQBDZQVOP-KRWDZBQOSA-N 2 1 334.508 3.121 20 0 EGADMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1CCCCC1)C2)[NH+](C)C ZINC001111875104 1368521535 /nfs/dbraw/zinc/52/15/35/1368521535.db2.gz RLRPUKDJDFCKFK-ZJOUEHCJSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CC(C)(C)C1)C2 ZINC001111947743 1368570412 /nfs/dbraw/zinc/57/04/12/1368570412.db2.gz YMDXLEXYMGEFQO-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111949292 1368571422 /nfs/dbraw/zinc/57/14/22/1368571422.db2.gz XGCXFKKGRVIPHJ-OIDOJQHXSA-N 2 1 349.563 3.435 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001196340542 1368592050 /nfs/dbraw/zinc/59/20/50/1368592050.db2.gz IFIFIUVRCBPLJQ-SFHVURJKSA-N 2 1 345.531 3.321 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001196340542 1368592054 /nfs/dbraw/zinc/59/20/54/1368592054.db2.gz IFIFIUVRCBPLJQ-SFHVURJKSA-N 2 1 345.531 3.321 20 0 EGADMP CC[NH+](CC)CCCNC(=S)Nc1ccc(-n2cc[nH+]c2C)cc1 ZINC001196686061 1368662573 /nfs/dbraw/zinc/66/25/73/1368662573.db2.gz BZKNXZWWNXJUQS-UHFFFAOYSA-N 2 1 345.516 3.199 20 0 EGADMP CC[C@H](C(=O)N1CCC[N@@H+](CCCC(C)C)CC1)[NH+](CC)CC ZINC001197141956 1368753398 /nfs/dbraw/zinc/75/33/98/1368753398.db2.gz QQVHILKOELKDQG-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001197396736 1368805839 /nfs/dbraw/zinc/80/58/39/1368805839.db2.gz MFGWQKPLYFIYLZ-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001197396736 1368805845 /nfs/dbraw/zinc/80/58/45/1368805845.db2.gz MFGWQKPLYFIYLZ-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001197396736 1368805848 /nfs/dbraw/zinc/80/58/48/1368805848.db2.gz MFGWQKPLYFIYLZ-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001197396834 1368805917 /nfs/dbraw/zinc/80/59/17/1368805917.db2.gz QKGVQDJGCGJJMQ-UVEXCMSLSA-N 2 1 347.547 3.284 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001197396834 1368805922 /nfs/dbraw/zinc/80/59/22/1368805922.db2.gz QKGVQDJGCGJJMQ-UVEXCMSLSA-N 2 1 347.547 3.284 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001197396834 1368805925 /nfs/dbraw/zinc/80/59/25/1368805925.db2.gz QKGVQDJGCGJJMQ-UVEXCMSLSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC[N@@H+](Cc2ccc(C(C)C)cc2)CC1 ZINC001197492172 1368825377 /nfs/dbraw/zinc/82/53/77/1368825377.db2.gz NOGGNPILHXRJSM-UHFFFAOYSA-N 2 1 345.531 3.186 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CCCN(C(=O)CCCC[NH+](C)C)CC2)c1 ZINC001197879647 1368917671 /nfs/dbraw/zinc/91/76/71/1368917671.db2.gz KUEUACFXYXWGJX-LJQANCHMSA-N 2 1 345.531 3.322 20 0 EGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCc1nsc2ccccc21 ZINC001197930281 1368926020 /nfs/dbraw/zinc/92/60/20/1368926020.db2.gz PHWJGVADOZXWCM-HNNXBMFYSA-N 2 1 338.480 3.445 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC=C(C)C)C1 ZINC001112585822 1368937869 /nfs/dbraw/zinc/93/78/69/1368937869.db2.gz SMQXNENAKNNLIU-ZVDOUQERSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC([C@@H]2CCC[NH+](C(C)C)CC2)CC1 ZINC001186605204 1387983790 /nfs/dbraw/zinc/98/37/90/1387983790.db2.gz LMGIBSRYIOVLRE-GOSISDBHSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001186605204 1387983795 /nfs/dbraw/zinc/98/37/95/1387983795.db2.gz LMGIBSRYIOVLRE-GOSISDBHSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([C@@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC001186605204 1387983802 /nfs/dbraw/zinc/98/38/02/1387983802.db2.gz LMGIBSRYIOVLRE-GOSISDBHSA-N 2 1 337.552 3.076 20 0 EGADMP C[NH+]1C(C)(C)CC(NC(=O)c2c[nH+]ccc2N2CCCC2)CC1(C)C ZINC001199371719 1369215682 /nfs/dbraw/zinc/21/56/82/1369215682.db2.gz HMTWSFAGDFAPMV-UHFFFAOYSA-N 2 1 344.503 3.063 20 0 EGADMP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc4c(c3)CCC4)c2)CC1 ZINC001200045915 1369307552 /nfs/dbraw/zinc/30/75/52/1369307552.db2.gz ALNZGGCEWTXXLP-UHFFFAOYSA-N 2 1 349.522 3.213 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC001200813142 1369432916 /nfs/dbraw/zinc/43/29/16/1369432916.db2.gz VCOUEBNYFFZJJT-LSDHHAIUSA-N 2 1 338.879 3.464 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001200894064 1369445403 /nfs/dbraw/zinc/44/54/03/1369445403.db2.gz KSUMICMUULEHCK-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CCc1ccccc1C[NH2+]C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001201320931 1369519101 /nfs/dbraw/zinc/51/91/01/1369519101.db2.gz BYCUZCHQPBEDKE-UHFFFAOYSA-N 2 1 345.531 3.060 20 0 EGADMP C[NH+]1CCN(C(=O)c2ccc(Nc3cc[nH+]c(C4CC4)c3)cc2)CC1 ZINC001201608050 1369588247 /nfs/dbraw/zinc/58/82/47/1369588247.db2.gz BSNLZLAEVNUMAM-UHFFFAOYSA-N 2 1 336.439 3.090 20 0 EGADMP Cc1nc(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)s1 ZINC001201634793 1369593586 /nfs/dbraw/zinc/59/35/86/1369593586.db2.gz SEURAJWHFKJFGU-GOSISDBHSA-N 2 1 345.512 3.006 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001201707231 1369609078 /nfs/dbraw/zinc/60/90/78/1369609078.db2.gz XOAKPTVMDKHXSV-IBGZPJMESA-N 2 1 338.536 3.016 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCC4CCOCC4)CC[C@@H]3C2)cc1 ZINC001202668453 1369843745 /nfs/dbraw/zinc/84/37/45/1369843745.db2.gz MPSWWUVUPBZAEP-NHCUHLMSSA-N 2 1 328.500 3.257 20 0 EGADMP CC(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001202863800 1369910996 /nfs/dbraw/zinc/91/09/96/1369910996.db2.gz NAPVMCGNUVDVSD-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1nn(C)c(C)c1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001203063643 1369970126 /nfs/dbraw/zinc/97/01/26/1369970126.db2.gz SYRYNYIGUYXJHU-UHFFFAOYSA-N 2 1 340.515 3.381 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cccc5nonc54)C[C@@H]3C2)cc1 ZINC001203140795 1369996103 /nfs/dbraw/zinc/99/61/03/1369996103.db2.gz SRTIWFORKAEUSP-PKOBYXMFSA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4cccc5nonc54)C[C@@H]3C2)cc1 ZINC001203140795 1369996105 /nfs/dbraw/zinc/99/61/05/1369996105.db2.gz SRTIWFORKAEUSP-PKOBYXMFSA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cccc5nonc54)C[C@@H]3C2)cc1 ZINC001203140795 1369996111 /nfs/dbraw/zinc/99/61/11/1369996111.db2.gz SRTIWFORKAEUSP-PKOBYXMFSA-N 2 1 348.450 3.177 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cccc5nonc54)C[C@@H]3C2)cc1 ZINC001203140795 1369996114 /nfs/dbraw/zinc/99/61/14/1369996114.db2.gz SRTIWFORKAEUSP-PKOBYXMFSA-N 2 1 348.450 3.177 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001187034753 1388043426 /nfs/dbraw/zinc/04/34/26/1388043426.db2.gz NAJLUUBLNPUJGD-NHQAVIFJSA-N 2 1 343.515 3.226 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC([NH2+]CC[C@H](C)F)CC1)c1ccccc1 ZINC001203313516 1370078106 /nfs/dbraw/zinc/07/81/06/1370078106.db2.gz SCZDKYFXOZADCN-QFBILLFUSA-N 2 1 349.494 3.008 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001203431386 1370123127 /nfs/dbraw/zinc/12/31/27/1370123127.db2.gz FHDKYCSMJIADNK-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+][C@H](C)c2cc(C)ccc2C)CC1 ZINC001203459820 1370133595 /nfs/dbraw/zinc/13/35/95/1370133595.db2.gz KEUALRTZLFAGFQ-GOSISDBHSA-N 2 1 345.531 3.287 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203577006 1370176570 /nfs/dbraw/zinc/17/65/70/1370176570.db2.gz MNVZKHUNIWCJIH-RBUKOAKNSA-N 2 1 347.547 3.236 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203579376 1370177570 /nfs/dbraw/zinc/17/75/70/1370177570.db2.gz ZKPRJFNCFGCXNL-OALUTQOASA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203642787 1370198897 /nfs/dbraw/zinc/19/88/97/1370198897.db2.gz YUBHWXSUAYJMHZ-MOPGFXCFSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203794247 1370267803 /nfs/dbraw/zinc/26/78/03/1370267803.db2.gz WFWNCDGKGWBLDM-IAGOWNOFSA-N 2 1 337.552 3.170 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001115104005 1370281274 /nfs/dbraw/zinc/28/12/74/1370281274.db2.gz QBCTZOUKFXIABF-ZGXWSNOMSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001115104005 1370281277 /nfs/dbraw/zinc/28/12/77/1370281277.db2.gz QBCTZOUKFXIABF-ZGXWSNOMSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001115104005 1370281282 /nfs/dbraw/zinc/28/12/82/1370281282.db2.gz QBCTZOUKFXIABF-ZGXWSNOMSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC([NH2+]CCCCCF)CC1)c1ccccc1 ZINC001203911123 1370311401 /nfs/dbraw/zinc/31/14/01/1370311401.db2.gz UCVSXTTUOBTDKM-IBGZPJMESA-N 2 1 349.494 3.010 20 0 EGADMP CC(=O)Nc1ccc(C[N@@H+](C2CCCC2)C2CCN(C)CC2)cc1 ZINC001203931218 1370319797 /nfs/dbraw/zinc/31/97/97/1370319797.db2.gz QSODJHCKVDINRX-UHFFFAOYSA-N 2 1 329.488 3.484 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCOc3ccccc3C2)cc1 ZINC001204268154 1370426846 /nfs/dbraw/zinc/42/68/46/1370426846.db2.gz GGKWXJAYKZIDJQ-UHFFFAOYSA-N 2 1 340.467 3.412 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCOc3ccccc3C2)cc1 ZINC001204268154 1370426850 /nfs/dbraw/zinc/42/68/50/1370426850.db2.gz GGKWXJAYKZIDJQ-UHFFFAOYSA-N 2 1 340.467 3.412 20 0 EGADMP CO[C@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C[C@@H]21 ZINC001204269151 1370428233 /nfs/dbraw/zinc/42/82/33/1370428233.db2.gz WBGARRSZYJSDLX-GIVPXCGWSA-N 2 1 346.515 3.264 20 0 EGADMP C[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204270683 1370428379 /nfs/dbraw/zinc/42/83/79/1370428379.db2.gz YEWCSVHVSGQXFU-QGZVFWFLSA-N 2 1 327.472 3.395 20 0 EGADMP C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204270683 1370428382 /nfs/dbraw/zinc/42/83/82/1370428382.db2.gz YEWCSVHVSGQXFU-QGZVFWFLSA-N 2 1 327.472 3.395 20 0 EGADMP CC1CCC(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCCCC2)CC1 ZINC001115451034 1370459540 /nfs/dbraw/zinc/45/95/40/1370459540.db2.gz YHCBTDJZMGKSQE-ACBHZAAOSA-N 2 1 349.563 3.316 20 0 EGADMP Cn1cncc1C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2[NH+](C)Cc1cccs1 ZINC001204385453 1370462627 /nfs/dbraw/zinc/46/26/27/1370462627.db2.gz KFZTVAVMDZHIKK-AYOQOUSVSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cncc1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2[NH+](C)Cc1cccs1 ZINC001204385453 1370462629 /nfs/dbraw/zinc/46/26/29/1370462629.db2.gz KFZTVAVMDZHIKK-AYOQOUSVSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cncc1C[NH+]1C[C@H]2[C@@H](C1)CCC[C@H]2[N@H+](C)Cc1cccs1 ZINC001204385453 1370462632 /nfs/dbraw/zinc/46/26/32/1370462632.db2.gz KFZTVAVMDZHIKK-AYOQOUSVSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cncc1C[NH+]1C[C@H]2[C@@H](C1)CCC[C@H]2[N@@H+](C)Cc1cccs1 ZINC001204385453 1370462634 /nfs/dbraw/zinc/46/26/34/1370462634.db2.gz KFZTVAVMDZHIKK-AYOQOUSVSA-N 2 1 344.528 3.214 20 0 EGADMP CC[N@@H+](Cc1cc(Br)ccc1N1CC[NH2+]CC1)C(C)C ZINC001204611639 1370530174 /nfs/dbraw/zinc/53/01/74/1370530174.db2.gz YZNRXWBZHFSGSA-UHFFFAOYSA-N 2 1 340.309 3.089 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115535396 1370531948 /nfs/dbraw/zinc/53/19/48/1370531948.db2.gz UGBOAUNWKWSZNN-LJQANCHMSA-N 2 1 349.563 3.458 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC=C(C)C)CCCCC2)CC[N@H+]1C ZINC001115545168 1370541807 /nfs/dbraw/zinc/54/18/07/1370541807.db2.gz UWVPPMAADDQGIS-ZWKOTPCHSA-N 2 1 335.536 3.092 20 0 EGADMP COc1ccc(F)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1Cl ZINC001204734995 1370558726 /nfs/dbraw/zinc/55/87/26/1370558726.db2.gz IYLKARSBVYUFQW-UHFFFAOYSA-N 2 1 326.843 3.453 20 0 EGADMP Cc1cc(Oc2ccccc2)ccc1C[N@@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204756349 1370567321 /nfs/dbraw/zinc/56/73/21/1370567321.db2.gz NPCFYRRVXOWONY-HXUWFJFHSA-N 2 1 326.440 3.337 20 0 EGADMP Cc1cc(Oc2ccccc2)ccc1C[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204756349 1370567326 /nfs/dbraw/zinc/56/73/26/1370567326.db2.gz NPCFYRRVXOWONY-HXUWFJFHSA-N 2 1 326.440 3.337 20 0 EGADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)CCO1 ZINC001204756302 1370567573 /nfs/dbraw/zinc/56/75/73/1370567573.db2.gz MXYLAQIPECNOPC-QGZVFWFLSA-N 2 1 335.451 3.385 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC001115579280 1370582944 /nfs/dbraw/zinc/58/29/44/1370582944.db2.gz GKHKZXJTQDJULR-GXDWLZFVSA-N 2 1 341.927 3.022 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC001205208125 1370680275 /nfs/dbraw/zinc/68/02/75/1370680275.db2.gz AMFZUYKOIZGHBJ-SFHVURJKSA-N 2 1 334.847 3.276 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](CCCc2ccc(Cl)c(Cl)c2)CC1 ZINC001205209361 1370681265 /nfs/dbraw/zinc/68/12/65/1370681265.db2.gz IXXDCVUSIUKVBL-INIZCTEOSA-N 2 1 331.287 3.102 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)CC1 ZINC001205255071 1370697330 /nfs/dbraw/zinc/69/73/30/1370697330.db2.gz GAVAJZMGSVOTJD-IBGZPJMESA-N 2 1 345.874 3.078 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205283480 1370705676 /nfs/dbraw/zinc/70/56/76/1370705676.db2.gz CRBLUNKSQHLMIB-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CC3CCCCC3)CCCCC2)C1 ZINC001115729331 1370710700 /nfs/dbraw/zinc/71/07/00/1370710700.db2.gz ATBBIQYVAQYUIY-GOSISDBHSA-N 2 1 349.563 3.317 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1([NH2+]Cc2ccsc2)CCCCC1 ZINC001115729444 1370710945 /nfs/dbraw/zinc/71/09/45/1370710945.db2.gz GBIANHVTRQGBJM-MRXNPFEDSA-N 2 1 349.544 3.141 20 0 EGADMP CC/C=C\CC[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@@H]2C)CCCCC1 ZINC001115729718 1370712295 /nfs/dbraw/zinc/71/22/95/1370712295.db2.gz QFVVFABHBHBGPR-XDXAGZTOSA-N 2 1 335.536 3.236 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115730939 1370713933 /nfs/dbraw/zinc/71/39/33/1370713933.db2.gz VJUMGDWBWLALOF-SJLPKXTDSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CCC3=CCCCC3)CC2)CC[N@H+]1C ZINC001205334209 1370724416 /nfs/dbraw/zinc/72/44/16/1370724416.db2.gz GEJVIFHWMBYJHF-YLJYHZDGSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001205549720 1370788544 /nfs/dbraw/zinc/78/85/44/1370788544.db2.gz ZQBBSDMJCFZPAV-UHFFFAOYSA-N 2 1 325.541 3.125 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(Cl)ncc2C(F)(F)F)CC1 ZINC001205570267 1370795030 /nfs/dbraw/zinc/79/50/30/1370795030.db2.gz HPKSXRGSSLFYGT-ZDUSSCGKSA-N 2 1 339.764 3.407 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(Cl)ncc2C(F)(F)F)CC1 ZINC001205570267 1370795033 /nfs/dbraw/zinc/79/50/33/1370795033.db2.gz HPKSXRGSSLFYGT-ZDUSSCGKSA-N 2 1 339.764 3.407 20 0 EGADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545317 1370786539 /nfs/dbraw/zinc/78/65/39/1370786539.db2.gz CYSQHRIJGNAWFQ-GOSISDBHSA-N 2 1 330.488 3.433 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001205545644 1370786757 /nfs/dbraw/zinc/78/67/57/1370786757.db2.gz KZSSKUKOWACVMO-WOJBJXKFSA-N 2 1 333.495 3.052 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001205545644 1370786763 /nfs/dbraw/zinc/78/67/63/1370786763.db2.gz KZSSKUKOWACVMO-WOJBJXKFSA-N 2 1 333.495 3.052 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001205545644 1370786788 /nfs/dbraw/zinc/78/67/88/1370786788.db2.gz KZSSKUKOWACVMO-WOJBJXKFSA-N 3 1 333.495 3.052 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001205545644 1370786791 /nfs/dbraw/zinc/78/67/91/1370786791.db2.gz KZSSKUKOWACVMO-WOJBJXKFSA-N 2 1 333.495 3.052 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001205545644 1370786796 /nfs/dbraw/zinc/78/67/96/1370786796.db2.gz KZSSKUKOWACVMO-WOJBJXKFSA-N 2 1 333.495 3.052 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2ccc(C)cc2)CCCCC1 ZINC001115806351 1370789964 /nfs/dbraw/zinc/78/99/64/1370789964.db2.gz UZGFPYDPQQBQQE-UHFFFAOYSA-N 2 1 345.531 3.246 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(F)cc(Br)c2)CC1 ZINC001205559845 1370791076 /nfs/dbraw/zinc/79/10/76/1370791076.db2.gz VOOQTMTZNOJIET-CQSZACIVSA-N 2 1 333.220 3.241 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc1C(F)(F)F ZINC001205570916 1370795281 /nfs/dbraw/zinc/79/52/81/1370795281.db2.gz PQJJHLLSWLKSAI-HNNXBMFYSA-N 2 1 334.357 3.367 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@@H]1C[NH3+] ZINC001205601803 1370806230 /nfs/dbraw/zinc/80/62/30/1370806230.db2.gz GNZRRHMSVWLFGR-HLAWJBBLSA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@@H]1C[NH3+] ZINC001205601803 1370806234 /nfs/dbraw/zinc/80/62/34/1370806234.db2.gz GNZRRHMSVWLFGR-HLAWJBBLSA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1C[NH3+] ZINC001205601803 1370806239 /nfs/dbraw/zinc/80/62/39/1370806239.db2.gz GNZRRHMSVWLFGR-HLAWJBBLSA-N 2 1 329.532 3.205 20 0 EGADMP C[C@@H]1CC[N@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC[C@@H]1C[NH3+] ZINC001205601803 1370806242 /nfs/dbraw/zinc/80/62/42/1370806242.db2.gz GNZRRHMSVWLFGR-HLAWJBBLSA-N 2 1 329.532 3.205 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC[C@@H]1C[NH3+] ZINC001205601803 1370806246 /nfs/dbraw/zinc/80/62/46/1370806246.db2.gz GNZRRHMSVWLFGR-HLAWJBBLSA-N 2 1 329.532 3.205 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2F)CC[C@@H]1C[NH3+] ZINC001205601006 1370806343 /nfs/dbraw/zinc/80/63/43/1370806343.db2.gz CUAKVJZAKXOUEW-NWDGAFQWSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCCN2Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC001205599818 1370806484 /nfs/dbraw/zinc/80/64/84/1370806484.db2.gz AFKBKBNWVCVIJZ-HMXCVIKNSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C[NH2+]C(C)(C)C)cc2)C1 ZINC001115966710 1370812301 /nfs/dbraw/zinc/81/23/01/1370812301.db2.gz ZEHVGRIYQALZHH-CALCHBBNSA-N 2 1 345.531 3.169 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2)CC[C@H]1C[NH3+] ZINC001205618070 1370813078 /nfs/dbraw/zinc/81/30/78/1370813078.db2.gz RESMUMSSCSJTDA-AAEUAGOBSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cncc(OCc3ccccc3)c2)CC[C@H]1C[NH3+] ZINC001205652211 1370828487 /nfs/dbraw/zinc/82/84/87/1370828487.db2.gz OMVQLXGSARIXOU-PXNSSMCTSA-N 2 1 339.483 3.467 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cncc(Br)c2Cl)CC[C@H]1C[NH3+] ZINC001205663262 1370833630 /nfs/dbraw/zinc/83/36/30/1370833630.db2.gz GUZGRDBVBZRNLH-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cncc(Br)c2Cl)CC[C@H]1C[NH3+] ZINC001205663262 1370833631 /nfs/dbraw/zinc/83/36/31/1370833631.db2.gz GUZGRDBVBZRNLH-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP COc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1OCC1CC1 ZINC001205663338 1370834354 /nfs/dbraw/zinc/83/43/54/1370834354.db2.gz HWEDVGYOWNZZHL-DOTOQJQBSA-N 2 1 332.488 3.291 20 0 EGADMP CC(C)C[NH2+]CC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001205764689 1370864243 /nfs/dbraw/zinc/86/42/43/1370864243.db2.gz XMPGYZCXHSXTNS-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c2c(OC)cccc12 ZINC001205901037 1370904780 /nfs/dbraw/zinc/90/47/80/1370904780.db2.gz ATWZIJJCZNBBBV-CABCVRRESA-N 2 1 328.456 3.416 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cccnc1OCc1ccccc1 ZINC001205922971 1370912636 /nfs/dbraw/zinc/91/26/36/1370912636.db2.gz FTPIXYMOXZZAAE-SJLPKXTDSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccnc1OCc1ccccc1 ZINC001205922971 1370912641 /nfs/dbraw/zinc/91/26/41/1370912641.db2.gz FTPIXYMOXZZAAE-SJLPKXTDSA-N 2 1 325.456 3.220 20 0 EGADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001116505719 1370925583 /nfs/dbraw/zinc/92/55/83/1370925583.db2.gz PVPIQWGBZDKFEJ-BHUNQDJPSA-N 2 1 339.524 3.285 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCCN2Cc2ccccc2)CCC[C@H]1C[NH3+] ZINC001205983811 1370929402 /nfs/dbraw/zinc/92/94/02/1370929402.db2.gz PIOTUPKZFYUNBE-HLAWJBBLSA-N 2 1 329.532 3.348 20 0 EGADMP Cc1c(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001116530111 1370930533 /nfs/dbraw/zinc/93/05/33/1370930533.db2.gz DFXFGWFXJJRMMU-QAPCUYQASA-N 2 1 348.450 3.036 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205995849 1370933259 /nfs/dbraw/zinc/93/32/59/1370933259.db2.gz RCKKAOGDMZRWAC-QAPCUYQASA-N 2 1 326.488 3.296 20 0 EGADMP C[C@H]1C[N@@H+](Cc2sc(N3CCCC3)nc2Cl)CCC[C@H]1C[NH3+] ZINC001206003096 1370934502 /nfs/dbraw/zinc/93/45/02/1370934502.db2.gz DQADOGAACWYNFB-STQMWFEESA-N 2 1 342.940 3.204 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3cccn3)c(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001206023194 1370941497 /nfs/dbraw/zinc/94/14/97/1370941497.db2.gz DOGONAJMVDRFTA-GOEBONIOSA-N 2 1 332.879 3.333 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(O)cc2OC(F)(F)F)CCC[C@H]1C[NH3+] ZINC001206025079 1370942302 /nfs/dbraw/zinc/94/23/02/1370942302.db2.gz MBSVAZJUZBXZMU-RYUDHWBXSA-N 2 1 332.366 3.098 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c(Br)ccc(O)c2F)CCC[C@@H]1C[NH3+] ZINC001206025680 1370942586 /nfs/dbraw/zinc/94/25/86/1370942586.db2.gz OXYJJAMLSPKWRO-WDEREUQCSA-N 2 1 345.256 3.101 20 0 EGADMP C[C@H]1C[N@@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CCC[C@H]1C[NH3+] ZINC001206036699 1370945109 /nfs/dbraw/zinc/94/51/09/1370945109.db2.gz OEZPGUSNDNKDDN-RYUDHWBXSA-N 2 1 340.393 3.389 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)CCC[C@@H]1C[NH3+] ZINC001206037511 1370946125 /nfs/dbraw/zinc/94/61/25/1370946125.db2.gz VZAVZXBRRJFKAK-VHSXEESVSA-N 2 1 342.274 3.023 20 0 EGADMP CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001206157145 1370974293 /nfs/dbraw/zinc/97/42/93/1370974293.db2.gz WKJLPIKXZILXHE-OKZBNKHCSA-N 2 1 326.500 3.415 20 0 EGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001206157145 1370974298 /nfs/dbraw/zinc/97/42/98/1370974298.db2.gz WKJLPIKXZILXHE-OKZBNKHCSA-N 2 1 326.500 3.415 20 0 EGADMP COc1ccc2c(OC)ccc(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)c2c1 ZINC001206211736 1370994558 /nfs/dbraw/zinc/99/45/58/1370994558.db2.gz PIKDTGWYMKKVRV-ROUUACIJSA-N 2 1 332.419 3.118 20 0 EGADMP COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1ccc(C[NH3+])cc1 ZINC001206257687 1371005649 /nfs/dbraw/zinc/00/56/49/1371005649.db2.gz HOCPOQRAYCWQTA-UHFFFAOYSA-N 2 1 326.440 3.101 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC[NH2+]C[C@@H]3C)cc2)cc1 ZINC001206262618 1371007032 /nfs/dbraw/zinc/00/70/32/1371007032.db2.gz BQVHIRHYTHSBAN-INIZCTEOSA-N 2 1 338.451 3.324 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[NH2+]C[C@@H]3C)cc2)cc1 ZINC001206262618 1371007034 /nfs/dbraw/zinc/00/70/34/1371007034.db2.gz BQVHIRHYTHSBAN-INIZCTEOSA-N 2 1 338.451 3.324 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)no2)cc1 ZINC001206303084 1371016179 /nfs/dbraw/zinc/01/61/79/1371016179.db2.gz BANWDUHIPJGLAB-LJQANCHMSA-N 2 1 329.444 3.301 20 0 EGADMP COc1c(Br)cccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206311586 1371018182 /nfs/dbraw/zinc/01/81/82/1371018182.db2.gz QYCNIWSYGJOFDA-MRXNPFEDSA-N 2 1 341.293 3.409 20 0 EGADMP Cc1c(Br)cncc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206318645 1371020016 /nfs/dbraw/zinc/02/00/16/1371020016.db2.gz SGLXHKPRLKHHFI-OAHLLOKOSA-N 2 1 326.282 3.103 20 0 EGADMP Nc1cc(Cl)c(Br)cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC001206506633 1371076616 /nfs/dbraw/zinc/07/66/16/1371076616.db2.gz IQBWMOSYXWYPBT-UHFFFAOYSA-N 2 1 346.700 3.246 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206548495 1371089982 /nfs/dbraw/zinc/08/99/82/1371089982.db2.gz PYKBMZUENRYYIF-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]C[C@@H](F)CC)CC1 ZINC001206621935 1371111150 /nfs/dbraw/zinc/11/11/50/1371111150.db2.gz MTPMEIRJINQUJP-SFHVURJKSA-N 2 1 343.531 3.075 20 0 EGADMP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118198894 1371144794 /nfs/dbraw/zinc/14/47/94/1371144794.db2.gz YBFLOLXMWCVZCH-UHFFFAOYSA-N 2 1 335.879 3.053 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001118264010 1371154655 /nfs/dbraw/zinc/15/46/55/1371154655.db2.gz RGVCFSGIQUZUTJ-UHFFFAOYSA-N 2 1 349.906 3.361 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001118264010 1371154658 /nfs/dbraw/zinc/15/46/58/1371154658.db2.gz RGVCFSGIQUZUTJ-UHFFFAOYSA-N 2 1 349.906 3.361 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1OC(F)(F)F ZINC001206769666 1371159472 /nfs/dbraw/zinc/15/94/72/1371159472.db2.gz PECFPVLADIOAPY-DGCLKSJQSA-N 2 1 332.366 3.153 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1OC(F)(F)F ZINC001206769667 1371159520 /nfs/dbraw/zinc/15/95/20/1371159520.db2.gz PECFPVLADIOAPY-WCQYABFASA-N 2 1 332.366 3.153 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001206889508 1371209871 /nfs/dbraw/zinc/20/98/71/1371209871.db2.gz VFQARMFASGYSKF-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001206890499 1371209966 /nfs/dbraw/zinc/20/99/66/1371209966.db2.gz VCLJKUWCKFOIHR-MRXNPFEDSA-N 2 1 349.494 3.057 20 0 EGADMP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001206952464 1371243731 /nfs/dbraw/zinc/24/37/31/1371243731.db2.gz PSZYHGMJSYRKKC-ROUKRRSUSA-N 2 1 349.563 3.435 20 0 EGADMP O=c1cc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc[nH]1 ZINC001207128243 1371304177 /nfs/dbraw/zinc/30/41/77/1371304177.db2.gz ZSOBVQNRRPLNJN-NRFANRHFSA-N 2 1 337.467 3.275 20 0 EGADMP O=c1cc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc[nH]1 ZINC001207128243 1371304180 /nfs/dbraw/zinc/30/41/80/1371304180.db2.gz ZSOBVQNRRPLNJN-NRFANRHFSA-N 2 1 337.467 3.275 20 0 EGADMP O=c1cc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc[nH]1 ZINC001207128243 1371304187 /nfs/dbraw/zinc/30/41/87/1371304187.db2.gz ZSOBVQNRRPLNJN-NRFANRHFSA-N 2 1 337.467 3.275 20 0 EGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC001119365018 1371322659 /nfs/dbraw/zinc/32/26/59/1371322659.db2.gz WPAHTKPDHQZDJS-IRXDYDNUSA-N 2 1 337.467 3.225 20 0 EGADMP CC[N@@H+](CC(C)(C)C[NH+](C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207282627 1371350217 /nfs/dbraw/zinc/35/02/17/1371350217.db2.gz MLBJATZQLBIOMZ-MRXNPFEDSA-N 2 1 341.540 3.296 20 0 EGADMP Cc1ccc(N2C[C@]3(CC[N@@H+](CC(C)(C)C[NH+](C)C)C3)CC2=O)s1 ZINC001207282826 1371350763 /nfs/dbraw/zinc/35/07/63/1371350763.db2.gz VUYRNNRCCXRHQR-LJQANCHMSA-N 2 1 349.544 3.073 20 0 EGADMP Cc1ccc(N2C[C@]3(CC[N@H+](CC(C)(C)C[NH+](C)C)C3)CC2=O)s1 ZINC001207282826 1371350765 /nfs/dbraw/zinc/35/07/65/1371350765.db2.gz VUYRNNRCCXRHQR-LJQANCHMSA-N 2 1 349.544 3.073 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@@H]4CCCO[C@@H]4C3)CC2)cc1 ZINC001207288949 1371351762 /nfs/dbraw/zinc/35/17/62/1371351762.db2.gz FJMKUIXTTXHLQX-LEWJYISDSA-N 2 1 328.500 3.400 20 0 EGADMP C[NH+]1CCC(C[N@H+](CC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001207391335 1371382690 /nfs/dbraw/zinc/38/26/90/1371382690.db2.gz GCIFDTNAADLAAZ-UHFFFAOYSA-N 2 1 332.488 3.172 20 0 EGADMP C[NH+]1CCC(C[N@@H+](CC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001207391335 1371382693 /nfs/dbraw/zinc/38/26/93/1371382693.db2.gz GCIFDTNAADLAAZ-UHFFFAOYSA-N 2 1 332.488 3.172 20 0 EGADMP COc1cccc(O[C@@H]2CCC[N@@H+](CCC3CC[NH+](C)CC3)C2)c1 ZINC001207483039 1371409435 /nfs/dbraw/zinc/40/94/35/1371409435.db2.gz CETNRYJGHOVORG-HXUWFJFHSA-N 2 1 332.488 3.270 20 0 EGADMP COc1cc2c(cc1C[N@H+]1C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C1)O[C@H](C)C2 ZINC001119988563 1371443852 /nfs/dbraw/zinc/44/38/52/1371443852.db2.gz KGOGBIKVSLYSIM-GFIVTLFCSA-N 2 1 344.499 3.181 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120010701 1371454087 /nfs/dbraw/zinc/45/40/87/1371454087.db2.gz VBYOHSQNUGDPRP-GOSISDBHSA-N 2 1 337.552 3.173 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cnc(-c4ccccc4)nc3)C[C@H]2C1 ZINC001120071144 1371477786 /nfs/dbraw/zinc/47/77/86/1371477786.db2.gz FZZJULHFFHWUSE-XUVXKRRUSA-N 2 1 336.483 3.306 20 0 EGADMP CCC/C=C/CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCCCC1 ZINC001120141119 1371494219 /nfs/dbraw/zinc/49/42/19/1371494219.db2.gz SCYYSWRQBRQGPU-AATRIKPKSA-N 2 1 346.519 3.347 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001120207747 1371504544 /nfs/dbraw/zinc/50/45/44/1371504544.db2.gz DGLWMUZZZPYWSM-IYCSXQJISA-N 2 1 341.927 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC(C)C)CCCCC1 ZINC001120208065 1371504799 /nfs/dbraw/zinc/50/47/99/1371504799.db2.gz SVRQVKGCFBZCRW-GOSISDBHSA-N 2 1 337.552 3.316 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CCCO3)C[C@@H]21 ZINC001207852026 1371520112 /nfs/dbraw/zinc/52/01/12/1371520112.db2.gz BZQQBTISJPJUKJ-KCITZHQASA-N 2 1 334.529 3.459 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCO3)C[C@@H]21 ZINC001207852026 1371520116 /nfs/dbraw/zinc/52/01/16/1371520116.db2.gz BZQQBTISJPJUKJ-KCITZHQASA-N 2 1 334.529 3.459 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCO3)C[C@@H]21 ZINC001207852026 1371520121 /nfs/dbraw/zinc/52/01/21/1371520121.db2.gz BZQQBTISJPJUKJ-KCITZHQASA-N 2 1 334.529 3.459 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C[C@@H](C)c3ccccc3)CC2)C1 ZINC001207912961 1371536645 /nfs/dbraw/zinc/53/66/45/1371536645.db2.gz AAKXGHZIJXCIDV-IEBWSBKVSA-N 2 1 344.499 3.140 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120401028 1371562687 /nfs/dbraw/zinc/56/26/87/1371562687.db2.gz GEGHVNYPRQTTFB-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001120401028 1371562693 /nfs/dbraw/zinc/56/26/93/1371562693.db2.gz GEGHVNYPRQTTFB-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001120401028 1371562694 /nfs/dbraw/zinc/56/26/94/1371562694.db2.gz GEGHVNYPRQTTFB-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001120412048 1371564645 /nfs/dbraw/zinc/56/46/45/1371564645.db2.gz DFECTULDUWZOOO-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CCC(C)(C)C)C1 ZINC001120430912 1371574177 /nfs/dbraw/zinc/57/41/77/1371574177.db2.gz NZSGIPJMUAUWLP-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120467774 1371586859 /nfs/dbraw/zinc/58/68/59/1371586859.db2.gz BYXSRJSZDOSPCH-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120467774 1371586860 /nfs/dbraw/zinc/58/68/60/1371586860.db2.gz BYXSRJSZDOSPCH-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120467774 1371586867 /nfs/dbraw/zinc/58/68/67/1371586867.db2.gz BYXSRJSZDOSPCH-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208111327 1371598858 /nfs/dbraw/zinc/59/88/58/1371598858.db2.gz KGGYUZWKOVOOIT-NHCUHLMSSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(C)(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208111327 1371598862 /nfs/dbraw/zinc/59/88/62/1371598862.db2.gz KGGYUZWKOVOOIT-NHCUHLMSSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(C)(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208111327 1371598863 /nfs/dbraw/zinc/59/88/63/1371598863.db2.gz KGGYUZWKOVOOIT-NHCUHLMSSA-N 3 1 341.543 3.172 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208114076 1371599215 /nfs/dbraw/zinc/59/92/15/1371599215.db2.gz QYWLXRCBNDLOOR-UHFFFAOYSA-N 3 1 329.532 3.315 20 0 EGADMP C[N@H+](Cc1ccccc1)C1CCN(CC2(C)CC[NH+](C)CC2)CC1 ZINC001208114076 1371599220 /nfs/dbraw/zinc/59/92/20/1371599220.db2.gz QYWLXRCBNDLOOR-UHFFFAOYSA-N 2 1 329.532 3.315 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCN(CC2(C)CC[NH+](C)CC2)CC1 ZINC001208114076 1371599225 /nfs/dbraw/zinc/59/92/25/1371599225.db2.gz QYWLXRCBNDLOOR-UHFFFAOYSA-N 2 1 329.532 3.315 20 0 EGADMP CN(Cc1ccccc1)C1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208114076 1371599227 /nfs/dbraw/zinc/59/92/27/1371599227.db2.gz QYWLXRCBNDLOOR-UHFFFAOYSA-N 2 1 329.532 3.315 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208163990 1371614123 /nfs/dbraw/zinc/61/41/23/1371614123.db2.gz MVDZJVLWVDDXMW-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)CC1(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CCCC1 ZINC001208183783 1371624512 /nfs/dbraw/zinc/62/45/12/1371624512.db2.gz GJXJGOHGOFWEIH-INIZCTEOSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+](C)CC1(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CCCC1 ZINC001208183783 1371624515 /nfs/dbraw/zinc/62/45/15/1371624515.db2.gz GJXJGOHGOFWEIH-INIZCTEOSA-N 2 1 339.524 3.098 20 0 EGADMP C[C@H]1C[N@@H+](CC2(C[NH+](C)C)CCCC2)CCC[C@]1(O)C(F)(F)F ZINC001208185224 1371626091 /nfs/dbraw/zinc/62/60/91/1371626091.db2.gz XQABHMMBPPLNRJ-GOEBONIOSA-N 2 1 336.442 3.134 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001208334348 1371722513 /nfs/dbraw/zinc/72/25/13/1371722513.db2.gz IOOSOMUBIKQDMM-IFOCYFHOSA-N 2 1 344.503 3.088 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208363360 1371735706 /nfs/dbraw/zinc/73/57/06/1371735706.db2.gz XYPOSYMSRYKEMC-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001208474468 1371781194 /nfs/dbraw/zinc/78/11/94/1371781194.db2.gz LSSDINOXQJDXNQ-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C[C@@H]1CCC[NH+](C)C1 ZINC001208616549 1371843144 /nfs/dbraw/zinc/84/31/44/1371843144.db2.gz LJSPOJFQJXGKOT-TYPHKJRUSA-N 2 1 329.532 3.171 20 0 EGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC001208616549 1371843148 /nfs/dbraw/zinc/84/31/48/1371843148.db2.gz LJSPOJFQJXGKOT-TYPHKJRUSA-N 2 1 329.532 3.171 20 0 EGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208616549 1371843152 /nfs/dbraw/zinc/84/31/52/1371843152.db2.gz LJSPOJFQJXGKOT-TYPHKJRUSA-N 2 1 329.532 3.171 20 0 EGADMP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121103515 1371854864 /nfs/dbraw/zinc/85/48/64/1371854864.db2.gz XCQRDXNYGUNFNT-FCOWATRHSA-N 2 1 349.563 3.312 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001121133664 1371863088 /nfs/dbraw/zinc/86/30/88/1371863088.db2.gz HCHYBQZFHIZZQQ-FLIYLUCSSA-N 2 1 347.547 3.090 20 0 EGADMP C[N@@H+](CC(=O)NC1CC2(C1)CC([NH2+]CCCC(C)(C)C)C2)C1CCC1 ZINC001121246009 1371906967 /nfs/dbraw/zinc/90/69/67/1371906967.db2.gz KIXVASBSSJGJLO-UHFFFAOYSA-N 2 1 349.563 3.314 20 0 EGADMP C[NH+](C)CCOCc1ncn2c1C[N@@H+](CC1(C)CCCCC1)CCC2 ZINC001208900817 1371938618 /nfs/dbraw/zinc/93/86/18/1371938618.db2.gz XSSQWKZNGYBMJW-UHFFFAOYSA-N 2 1 348.535 3.137 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001121347937 1371946148 /nfs/dbraw/zinc/94/61/48/1371946148.db2.gz QDAZFBIGOBTTML-FCOWATRHSA-N 2 1 349.563 3.314 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208932398 1371950796 /nfs/dbraw/zinc/95/07/96/1371950796.db2.gz PQJKBMIGYBUZEU-MISYRCLQSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208932398 1371950800 /nfs/dbraw/zinc/95/08/00/1371950800.db2.gz PQJKBMIGYBUZEU-MISYRCLQSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H](C)[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208932398 1371950803 /nfs/dbraw/zinc/95/08/03/1371950803.db2.gz PQJKBMIGYBUZEU-MISYRCLQSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H](C)[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208932398 1371950807 /nfs/dbraw/zinc/95/08/07/1371950807.db2.gz PQJKBMIGYBUZEU-MISYRCLQSA-N 2 1 344.499 3.172 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC[C@]4(CCOC4)C3)C2)cc1 ZINC001208933041 1371951462 /nfs/dbraw/zinc/95/14/62/1371951462.db2.gz SUYNFAOUUVRYOK-RTWAWAEBSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCC[C@]4(CCOC4)C3)C2)cc1 ZINC001208933041 1371951463 /nfs/dbraw/zinc/95/14/63/1371951463.db2.gz SUYNFAOUUVRYOK-RTWAWAEBSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCC[C@]4(CCOC4)C3)C2)cc1 ZINC001208933041 1371951468 /nfs/dbraw/zinc/95/14/68/1371951468.db2.gz SUYNFAOUUVRYOK-RTWAWAEBSA-N 2 1 328.500 3.401 20 0 EGADMP CC[NH+](CC)C1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208949717 1371961219 /nfs/dbraw/zinc/96/12/19/1371961219.db2.gz ODAAUNHIJCLXIB-HXUWFJFHSA-N 2 1 329.532 3.315 20 0 EGADMP CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1C ZINC001208952758 1371961438 /nfs/dbraw/zinc/96/14/38/1371961438.db2.gz KWOBZIWVORXCQM-RLLQIKCJSA-N 2 1 344.499 3.172 20 0 EGADMP CCOC(=O)[C@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC001208952758 1371961440 /nfs/dbraw/zinc/96/14/40/1371961440.db2.gz KWOBZIWVORXCQM-RLLQIKCJSA-N 2 1 344.499 3.172 20 0 EGADMP CCOC(=O)[C@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC001208952758 1371961442 /nfs/dbraw/zinc/96/14/42/1371961442.db2.gz KWOBZIWVORXCQM-RLLQIKCJSA-N 2 1 344.499 3.172 20 0 EGADMP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208956861 1371962422 /nfs/dbraw/zinc/96/24/22/1371962422.db2.gz JEXYWOULVFFFRC-NRFANRHFSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC2(CCN(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001208956861 1371962427 /nfs/dbraw/zinc/96/24/27/1371962427.db2.gz JEXYWOULVFFFRC-NRFANRHFSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC2(CCN(C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001208956861 1371962432 /nfs/dbraw/zinc/96/24/32/1371962432.db2.gz JEXYWOULVFFFRC-NRFANRHFSA-N 2 1 341.543 3.316 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)C[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001208990737 1371969010 /nfs/dbraw/zinc/96/90/10/1371969010.db2.gz IXEMOKODRQEZJS-KRWDZBQOSA-N 2 1 339.524 3.048 20 0 EGADMP C[N@H+](CC[C@H]1CCCCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209165227 1372021071 /nfs/dbraw/zinc/02/10/71/1372021071.db2.gz QGPWDLIOSSWQDP-QGZVFWFLSA-N 2 1 339.524 3.192 20 0 EGADMP C[N@@H+](CC[C@H]1CCCCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209165227 1372021074 /nfs/dbraw/zinc/02/10/74/1372021074.db2.gz QGPWDLIOSSWQDP-QGZVFWFLSA-N 2 1 339.524 3.192 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001209205054 1372037990 /nfs/dbraw/zinc/03/79/90/1372037990.db2.gz MLWMUDSLAPCGHN-KJYWSYJISA-N 2 1 349.563 3.435 20 0 EGADMP COCCCC[NH+]1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001209215923 1372040435 /nfs/dbraw/zinc/04/04/35/1372040435.db2.gz QWLBZQAHVIQSPX-UHFFFAOYSA-N 2 1 335.492 3.148 20 0 EGADMP CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209222577 1372042618 /nfs/dbraw/zinc/04/26/18/1372042618.db2.gz JWUBTSBODZKQIG-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC3(C2)CC([NH2+]CCCC(C)(C)C)C3)C1 ZINC001121774035 1372077065 /nfs/dbraw/zinc/07/70/65/1372077065.db2.gz WSUIUDPSUXQWTE-KZYAKZRFSA-N 2 1 349.563 3.172 20 0 EGADMP COC1CCC(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)CC1 ZINC001209390605 1372087700 /nfs/dbraw/zinc/08/77/00/1372087700.db2.gz BZPMENOINGFWIX-SOAGJPPSSA-N 2 1 338.536 3.014 20 0 EGADMP COC1CCC(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)CC1 ZINC001209390605 1372087702 /nfs/dbraw/zinc/08/77/02/1372087702.db2.gz BZPMENOINGFWIX-SOAGJPPSSA-N 2 1 338.536 3.014 20 0 EGADMP COC1CCC(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)CC1 ZINC001209390605 1372087705 /nfs/dbraw/zinc/08/77/05/1372087705.db2.gz BZPMENOINGFWIX-SOAGJPPSSA-N 2 1 338.536 3.014 20 0 EGADMP COC1CCC(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)CC1 ZINC001209390605 1372087707 /nfs/dbraw/zinc/08/77/07/1372087707.db2.gz BZPMENOINGFWIX-SOAGJPPSSA-N 2 1 338.536 3.014 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H]3CN(CCC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC001209451903 1372109531 /nfs/dbraw/zinc/10/95/31/1372109531.db2.gz VYXGGOCTASKFIN-SZPZYZBQSA-N 2 1 341.543 3.235 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]3CN(CCC[NH+]4CCCCC4)C[C@@H]32)cc1 ZINC001209449032 1372109539 /nfs/dbraw/zinc/10/95/39/1372109539.db2.gz QAJGIGPBGHUKTG-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCN(CCC[NH+]4CCCCC4)C[C@@H]3C2)cc1 ZINC001209452147 1372109767 /nfs/dbraw/zinc/10/97/67/1372109767.db2.gz FNGXEFNPDIHXQV-FCHUYYIVSA-N 2 1 341.543 3.316 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001121895616 1372116877 /nfs/dbraw/zinc/11/68/77/1372116877.db2.gz GDYDTUQSJQSUMW-JGQKGBITSA-N 2 1 347.547 3.211 20 0 EGADMP c1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001209554122 1372136432 /nfs/dbraw/zinc/13/64/32/1372136432.db2.gz WOFNUIKECSHMGX-ZWKOTPCHSA-N 2 1 327.497 3.487 20 0 EGADMP c1ncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001209554122 1372136436 /nfs/dbraw/zinc/13/64/36/1372136436.db2.gz WOFNUIKECSHMGX-ZWKOTPCHSA-N 2 1 327.497 3.487 20 0 EGADMP c1ncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001209554122 1372136439 /nfs/dbraw/zinc/13/64/39/1372136439.db2.gz WOFNUIKECSHMGX-ZWKOTPCHSA-N 2 1 327.497 3.487 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1)CC(C)(C)C ZINC001209688250 1372170709 /nfs/dbraw/zinc/17/07/09/1372170709.db2.gz CCXHYVYBCQBETB-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CCC1CCCC1)C2 ZINC001122101768 1372175034 /nfs/dbraw/zinc/17/50/34/1372175034.db2.gz ZHEZFDXMSLNEAH-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP Nc1ccncc1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001209725474 1372178279 /nfs/dbraw/zinc/17/82/79/1372178279.db2.gz KESLXLXONBHOQL-UHFFFAOYSA-N 2 1 342.512 3.044 20 0 EGADMP Nc1cc[nH+]cc1C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001209725474 1372178282 /nfs/dbraw/zinc/17/82/82/1372178282.db2.gz KESLXLXONBHOQL-UHFFFAOYSA-N 3 1 342.512 3.044 20 0 EGADMP Nc1cc[nH+]cc1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001209725474 1372178285 /nfs/dbraw/zinc/17/82/85/1372178285.db2.gz KESLXLXONBHOQL-UHFFFAOYSA-N 3 1 342.512 3.044 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209954242 1372239996 /nfs/dbraw/zinc/23/99/96/1372239996.db2.gz WBFZUOLJOBMXIN-WYNBNGFRSA-N 2 1 335.536 3.186 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001210132797 1372277484 /nfs/dbraw/zinc/27/74/84/1372277484.db2.gz ISTRZTDSUOTDMF-MJGOQNOKSA-N 2 1 348.535 3.235 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1 ZINC001210183726 1372290882 /nfs/dbraw/zinc/29/08/82/1372290882.db2.gz RGYOZSYPIZETDK-GOSISDBHSA-N 2 1 343.531 3.219 20 0 EGADMP c1c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)onc1C1CCCCC1 ZINC001210261630 1372309043 /nfs/dbraw/zinc/30/90/43/1372309043.db2.gz CUVJOQDHQUUUAX-UHFFFAOYSA-N 2 1 327.432 3.271 20 0 EGADMP C[C@@H](c1ccccc1F)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210412645 1372346132 /nfs/dbraw/zinc/34/61/32/1372346132.db2.gz WOVMGDDXVLFNQV-JTDSTZFVSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210416422 1372346466 /nfs/dbraw/zinc/34/64/66/1372346466.db2.gz OUPHYRHSDDNJRS-GPMSIDNRSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)c1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001211268892 1372517221 /nfs/dbraw/zinc/51/72/21/1372517221.db2.gz LNXFJJZUNKSNQF-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001211284519 1372520408 /nfs/dbraw/zinc/52/04/08/1372520408.db2.gz MDKKWYLOIALULV-ACGJQVIASA-N 2 1 343.515 3.011 20 0 EGADMP C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001211374831 1372543869 /nfs/dbraw/zinc/54/38/69/1372543869.db2.gz PSMJZOAOXQOJMB-QRQLOZEOSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001211374831 1372543872 /nfs/dbraw/zinc/54/38/72/1372543872.db2.gz PSMJZOAOXQOJMB-QRQLOZEOSA-N 2 1 345.531 3.162 20 0 EGADMP COc1cc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)ccc1F ZINC001212142294 1372663403 /nfs/dbraw/zinc/66/34/03/1372663403.db2.gz GPSFIWPHIFPKPS-AWEZNQCLSA-N 2 1 336.411 3.052 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc3c(c2)C(=O)CC3)no1 ZINC001212144783 1372664185 /nfs/dbraw/zinc/66/41/85/1372664185.db2.gz CPFIUUCTNKGMNB-INIZCTEOSA-N 2 1 342.443 3.034 20 0 EGADMP C[NH+]1CCC(COc2ccc(Nc3ccc[nH+]c3N)cc2F)CC1 ZINC001212408803 1372701889 /nfs/dbraw/zinc/70/18/89/1372701889.db2.gz NJKYAUIWVKZVAT-UHFFFAOYSA-N 2 1 330.407 3.267 20 0 EGADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001214888783 1373136423 /nfs/dbraw/zinc/13/64/23/1373136423.db2.gz BMTMVKRCPRQDOJ-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nnc(Cc2ccc(Cl)cc2)o1 ZINC001217752385 1373498222 /nfs/dbraw/zinc/49/82/22/1373498222.db2.gz VRCHONHATYTKFN-HNNXBMFYSA-N 2 1 336.867 3.482 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COC[C@H]2CC[C@H]([NH3+])CC2)O1 ZINC001217908135 1373511751 /nfs/dbraw/zinc/51/17/51/1373511751.db2.gz IUXTYCNCIJTKFS-VAMGGRTRSA-N 2 1 346.515 3.200 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc2c(n1)C[N@@H+](Cc1ccccc1)CC2 ZINC001218043160 1373546716 /nfs/dbraw/zinc/54/67/16/1373546716.db2.gz DRUJMUAQIIJTML-OXQOHEQNSA-N 2 1 337.467 3.017 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc2c(n1)C[N@H+](Cc1ccccc1)CC2 ZINC001218043160 1373546719 /nfs/dbraw/zinc/54/67/19/1373546719.db2.gz DRUJMUAQIIJTML-OXQOHEQNSA-N 2 1 337.467 3.017 20 0 EGADMP c1ccc(C[N@@H+]2CCc3nc(OC4CC5(C4)CC[NH2+]C5)ccc3C2)cc1 ZINC001218059923 1373549969 /nfs/dbraw/zinc/54/99/69/1373549969.db2.gz DZEJBCHMNSOCBA-UHFFFAOYSA-N 2 1 349.478 3.161 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(OC4CC5(C4)CC[NH2+]C5)ccc3C2)cc1 ZINC001218059923 1373549973 /nfs/dbraw/zinc/54/99/73/1373549973.db2.gz DZEJBCHMNSOCBA-UHFFFAOYSA-N 2 1 349.478 3.161 20 0 EGADMP C[C@@H]([C@H](Oc1ccc(C(=O)C[NH3+])cc1)c1ccccc1)[NH+]1CCCC1 ZINC001218188161 1373575062 /nfs/dbraw/zinc/57/50/62/1373575062.db2.gz WOUDNYKTHKVMEC-KKSFZXQISA-N 2 1 338.451 3.432 20 0 EGADMP O=C(Nc1ccccc1)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001218808793 1373655453 /nfs/dbraw/zinc/65/54/53/1373655453.db2.gz IQSGKDMJQATBLD-DENIHFKCSA-N 2 1 349.478 3.127 20 0 EGADMP C[C@@]1(C(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)CC[NH2+]C1 ZINC001218848810 1373660073 /nfs/dbraw/zinc/66/00/73/1373660073.db2.gz WYYYAUPKAAJZMX-OAQYLSRUSA-N 2 1 335.451 3.141 20 0 EGADMP C[C@@]1(C(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)CC[NH2+]C1 ZINC001218848810 1373660075 /nfs/dbraw/zinc/66/00/75/1373660075.db2.gz WYYYAUPKAAJZMX-OAQYLSRUSA-N 2 1 335.451 3.141 20 0 EGADMP c1cnn(-c2ccc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)cc2)n1 ZINC001222173605 1373819130 /nfs/dbraw/zinc/81/91/30/1373819130.db2.gz VUYKAIOOBQNSPH-HXUWFJFHSA-N 2 1 339.487 3.013 20 0 EGADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385073 1373832216 /nfs/dbraw/zinc/83/22/16/1373832216.db2.gz FFZWKRLANCCPOF-JXFKEZNVSA-N 2 1 330.472 3.202 20 0 EGADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385073 1373832222 /nfs/dbraw/zinc/83/22/22/1373832222.db2.gz FFZWKRLANCCPOF-JXFKEZNVSA-N 2 1 330.472 3.202 20 0 EGADMP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222401113 1373839080 /nfs/dbraw/zinc/83/90/80/1373839080.db2.gz QSWDZZQDTKPFLO-GOSISDBHSA-N 2 1 340.552 3.310 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188456855 1388312582 /nfs/dbraw/zinc/31/25/82/1388312582.db2.gz XOTVKCUIXYKASF-PKOBYXMFSA-N 2 1 340.471 3.061 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CCc2c[nH]cn2)CC[C@H]1C ZINC001132089954 1375139763 /nfs/dbraw/zinc/13/97/63/1375139763.db2.gz BDRLUZRBHIPWKS-GOVFWEMJSA-N 2 1 332.492 3.058 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCc2cnc[nH]2)CC[C@H]1C ZINC001132089954 1375139769 /nfs/dbraw/zinc/13/97/69/1375139769.db2.gz BDRLUZRBHIPWKS-GOVFWEMJSA-N 2 1 332.492 3.058 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CCc2cnc[nH]2)CC[C@H]1C ZINC001132089954 1375139773 /nfs/dbraw/zinc/13/97/73/1375139773.db2.gz BDRLUZRBHIPWKS-GOVFWEMJSA-N 2 1 332.492 3.058 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)CC[C@H]1C ZINC001132133066 1375164053 /nfs/dbraw/zinc/16/40/53/1375164053.db2.gz XLXJSRMDESUDJQ-ZBFHGGJFSA-N 2 1 328.460 3.336 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[N@H+]1CCC1CC1 ZINC001132141536 1375167260 /nfs/dbraw/zinc/16/72/60/1375167260.db2.gz RLHJSIUCUSRDEU-WMZOPIPTSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[NH+]1CCC1CC1 ZINC001132141536 1375167264 /nfs/dbraw/zinc/16/72/64/1375167264.db2.gz RLHJSIUCUSRDEU-WMZOPIPTSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[NH+]1CCC1CC1 ZINC001132141536 1375167267 /nfs/dbraw/zinc/16/72/67/1375167267.db2.gz RLHJSIUCUSRDEU-WMZOPIPTSA-N 2 1 349.563 3.409 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132149135 1375170467 /nfs/dbraw/zinc/17/04/67/1375170467.db2.gz GHYZQLGXRZNMAH-ZYHOBAKYSA-N 2 1 347.547 3.330 20 0 EGADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(F)cc2)C1 ZINC001132152373 1375171377 /nfs/dbraw/zinc/17/13/77/1375171377.db2.gz AYLWZTZRYKJYHG-MAUKXSAKSA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccc(F)cc2)C1 ZINC001132152373 1375171382 /nfs/dbraw/zinc/17/13/82/1375171382.db2.gz AYLWZTZRYKJYHG-MAUKXSAKSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cc2)C1 ZINC001132152373 1375171385 /nfs/dbraw/zinc/17/13/85/1375171385.db2.gz AYLWZTZRYKJYHG-MAUKXSAKSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cc2)C1 ZINC001132152373 1375171388 /nfs/dbraw/zinc/17/13/88/1375171388.db2.gz AYLWZTZRYKJYHG-MAUKXSAKSA-N 2 1 349.494 3.025 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C[N@H+]1CC1CCCC1 ZINC001132211294 1375211921 /nfs/dbraw/zinc/21/19/21/1375211921.db2.gz NYCFJARMSKLZTN-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132212363 1375212159 /nfs/dbraw/zinc/21/21/59/1375212159.db2.gz XFJDQYQDOQBGAG-QZTJIDSGSA-N 2 1 337.552 3.410 20 0 EGADMP CCc1ccc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)cc1 ZINC001132248878 1375244611 /nfs/dbraw/zinc/24/46/11/1375244611.db2.gz JWBJEQMDRUDHSO-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1CCC1CCCCCC1 ZINC001132277081 1375261173 /nfs/dbraw/zinc/26/11/73/1375261173.db2.gz AQIPEPXTDPXVIC-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309830 1375288782 /nfs/dbraw/zinc/28/87/82/1375288782.db2.gz FDCLTJIEVVTBLW-ROUUACIJSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309830 1375288792 /nfs/dbraw/zinc/28/87/92/1375288792.db2.gz FDCLTJIEVVTBLW-ROUUACIJSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309830 1375288799 /nfs/dbraw/zinc/28/87/99/1375288799.db2.gz FDCLTJIEVVTBLW-ROUUACIJSA-N 2 1 339.568 3.370 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC)C1 ZINC001132364634 1375327549 /nfs/dbraw/zinc/32/75/49/1375327549.db2.gz CZYBLGZNUMYSSW-ZWKOTPCHSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCC)C1 ZINC001132364634 1375327537 /nfs/dbraw/zinc/32/75/37/1375327537.db2.gz CZYBLGZNUMYSSW-ZWKOTPCHSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CCCC)C1 ZINC001132364634 1375327526 /nfs/dbraw/zinc/32/75/26/1375327526.db2.gz CZYBLGZNUMYSSW-ZWKOTPCHSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001226765834 1375328817 /nfs/dbraw/zinc/32/88/17/1375328817.db2.gz FXVDDXMRYBHFOI-IPMKNSEASA-N 2 1 337.552 3.172 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC(C)(C)C)C1 ZINC001132365311 1375331455 /nfs/dbraw/zinc/33/14/55/1375331455.db2.gz JBFOZAGELZPCFO-SJLPKXTDSA-N 2 1 348.535 3.377 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001132365311 1375331461 /nfs/dbraw/zinc/33/14/61/1375331461.db2.gz JBFOZAGELZPCFO-SJLPKXTDSA-N 2 1 348.535 3.377 20 0 EGADMP CCc1ccc(C[N@H+]2C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]2C)cc1 ZINC001132374965 1375338104 /nfs/dbraw/zinc/33/81/04/1375338104.db2.gz BHKONFXBFXISNM-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001132380745 1375341154 /nfs/dbraw/zinc/34/11/54/1375341154.db2.gz OQKORCLYWCHVOX-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132434518 1375378192 /nfs/dbraw/zinc/37/81/92/1375378192.db2.gz YADLMRFDKROBSB-WMZOPIPTSA-N 2 1 325.541 3.124 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]2C)cc1 ZINC001132433039 1375378416 /nfs/dbraw/zinc/37/84/16/1375378416.db2.gz JRNHZGXOAFVWJC-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CC1=CCCCC1 ZINC001132436597 1375380831 /nfs/dbraw/zinc/38/08/31/1375380831.db2.gz MTGRGDODOYZRRB-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CCC(C)(C)C ZINC001132436720 1375381243 /nfs/dbraw/zinc/38/12/43/1375381243.db2.gz NCZXRIGTOXJJEY-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccccc2C)C1 ZINC001132437374 1375382106 /nfs/dbraw/zinc/38/21/06/1375382106.db2.gz SMDYTMOGQXZSIC-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C)C1 ZINC001132437374 1375382108 /nfs/dbraw/zinc/38/21/08/1375382108.db2.gz SMDYTMOGQXZSIC-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C)C1 ZINC001132437374 1375382109 /nfs/dbraw/zinc/38/21/09/1375382109.db2.gz SMDYTMOGQXZSIC-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2=CCCCC2)C1 ZINC001132437452 1375382200 /nfs/dbraw/zinc/38/22/00/1375382200.db2.gz UVVGGXBXNOYJOA-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2=CCCCC2)C1 ZINC001132437452 1375382203 /nfs/dbraw/zinc/38/22/03/1375382203.db2.gz UVVGGXBXNOYJOA-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2=CCCCC2)C1 ZINC001132437452 1375382205 /nfs/dbraw/zinc/38/22/05/1375382205.db2.gz UVVGGXBXNOYJOA-IEBWSBKVSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccccc2C)C1 ZINC001132437373 1375382672 /nfs/dbraw/zinc/38/26/72/1375382672.db2.gz SMDYTMOGQXZSIC-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C)C1 ZINC001132437373 1375382683 /nfs/dbraw/zinc/38/26/83/1375382683.db2.gz SMDYTMOGQXZSIC-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C)C1 ZINC001132437373 1375382689 /nfs/dbraw/zinc/38/26/89/1375382689.db2.gz SMDYTMOGQXZSIC-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC2CCC3(CC3)CC2)C1 ZINC001132442347 1375386500 /nfs/dbraw/zinc/38/65/00/1375386500.db2.gz ZXJGRENRQDKPML-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001132442347 1375386505 /nfs/dbraw/zinc/38/65/05/1375386505.db2.gz ZXJGRENRQDKPML-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001132442347 1375386512 /nfs/dbraw/zinc/38/65/12/1375386512.db2.gz ZXJGRENRQDKPML-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)CC ZINC001227150693 1375397892 /nfs/dbraw/zinc/39/78/92/1375397892.db2.gz ZNLXBZIBEJEVDH-IAGOWNOFSA-N 2 1 325.541 3.314 20 0 EGADMP CCc1ccc(C[N@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)cc1 ZINC001132519440 1375437620 /nfs/dbraw/zinc/43/76/20/1375437620.db2.gz YYBJBASZNARWMU-FXAWDEMLSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1ccc(C[NH+]2C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]2C)cc1 ZINC001132519440 1375437621 /nfs/dbraw/zinc/43/76/21/1375437621.db2.gz YYBJBASZNARWMU-FXAWDEMLSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1ccc(C[NH+]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]2C)cc1 ZINC001132519440 1375437626 /nfs/dbraw/zinc/43/76/26/1375437626.db2.gz YYBJBASZNARWMU-FXAWDEMLSA-N 2 1 345.531 3.058 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CC1CCCCC1 ZINC001132523876 1375439036 /nfs/dbraw/zinc/43/90/36/1375439036.db2.gz BJMNYJORIKCOBW-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132542305 1375449617 /nfs/dbraw/zinc/44/96/17/1375449617.db2.gz OWEXBCORBDGMFC-ICSRJNTNSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132542305 1375449620 /nfs/dbraw/zinc/44/96/20/1375449620.db2.gz OWEXBCORBDGMFC-ICSRJNTNSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132542305 1375449622 /nfs/dbraw/zinc/44/96/22/1375449622.db2.gz OWEXBCORBDGMFC-ICSRJNTNSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132542305 1375449624 /nfs/dbraw/zinc/44/96/24/1375449624.db2.gz OWEXBCORBDGMFC-ICSRJNTNSA-N 2 1 345.531 3.134 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NC1CC[NH+](CCC2CCCCC2)CC1 ZINC001227877248 1375485998 /nfs/dbraw/zinc/48/59/98/1375485998.db2.gz PSRRAQBCDRRLRE-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1cc(C[NH+]2CCC(NC(=O)CC[C@H]3CCC[N@@H+]3C)CC2)cs1 ZINC001227877084 1375486206 /nfs/dbraw/zinc/48/62/06/1375486206.db2.gz NNVNCRLFOLORQV-GOSISDBHSA-N 2 1 349.544 3.012 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001228053917 1375512876 /nfs/dbraw/zinc/51/28/76/1375512876.db2.gz LKPGXBNAFMZCAQ-KRWDZBQOSA-N 2 1 345.531 3.367 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001228604057 1375612082 /nfs/dbraw/zinc/61/20/82/1375612082.db2.gz WQWOJBBJRBOPFK-VLPTVUGRSA-N 2 1 335.536 3.092 20 0 EGADMP CC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001228853959 1375694031 /nfs/dbraw/zinc/69/40/31/1375694031.db2.gz TWEXVRVWMYXYOY-GVDBMIGSSA-N 2 1 334.508 3.070 20 0 EGADMP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133120802 1375786223 /nfs/dbraw/zinc/78/62/23/1375786223.db2.gz BGROQGJPXMLWIJ-ROUUACIJSA-N 2 1 337.552 3.005 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(C)C)C1 ZINC001133185658 1375829773 /nfs/dbraw/zinc/82/97/73/1375829773.db2.gz GYSNPMGQKDIAEV-RTBURBONSA-N 2 1 339.568 3.229 20 0 EGADMP CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001229545076 1375853092 /nfs/dbraw/zinc/85/30/92/1375853092.db2.gz RCZRUAHPRFDFHU-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001229652974 1375872487 /nfs/dbraw/zinc/87/24/87/1375872487.db2.gz UUXBHLZFTSMNTM-QRVBRYPASA-N 2 1 331.504 3.106 20 0 EGADMP CCC/C=C/CC[NH+]1CCC(NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001230052903 1375937014 /nfs/dbraw/zinc/93/70/14/1375937014.db2.gz PURZAVXQQHGBGT-VOTSOKGWSA-N 2 1 344.503 3.088 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@H+](C)C(C)C)c1 ZINC001230284409 1375983532 /nfs/dbraw/zinc/98/35/32/1375983532.db2.gz CUYRKVWLZORZRH-MISYRCLQSA-N 2 1 345.531 3.413 20 0 EGADMP CC(C)c1ccc(C[NH+]2CCC(NC(=O)C[N@H+](C)C(C)C)CC2)cc1 ZINC001230373828 1376009730 /nfs/dbraw/zinc/00/97/30/1376009730.db2.gz BNVASCXAWFFUTO-UHFFFAOYSA-N 2 1 345.531 3.231 20 0 EGADMP Nc1[nH]c2ccc(O[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc2[nH+]1 ZINC001230515290 1376049075 /nfs/dbraw/zinc/04/90/75/1376049075.db2.gz ADKSGJQMNADJJP-RIFZZMRRSA-N 2 1 348.450 3.435 20 0 EGADMP Nc1[nH]c2cc(O[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ccc2[nH+]1 ZINC001230515290 1376049078 /nfs/dbraw/zinc/04/90/78/1376049078.db2.gz ADKSGJQMNADJJP-RIFZZMRRSA-N 2 1 348.450 3.435 20 0 EGADMP Nc1[nH]c2cc(O[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ccc2[nH+]1 ZINC001230515290 1376049081 /nfs/dbraw/zinc/04/90/81/1376049081.db2.gz ADKSGJQMNADJJP-RIFZZMRRSA-N 2 1 348.450 3.435 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CC(C)C2)CC1 ZINC001230611149 1376100465 /nfs/dbraw/zinc/10/04/65/1376100465.db2.gz NSUUTQIZQXIDOW-QLOJAFMTSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC2CCCC2)CC1 ZINC001230611161 1376100982 /nfs/dbraw/zinc/10/09/82/1376100982.db2.gz OBCLCLXWNPZLCM-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP c1c(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)[nH]c2cc[nH+]cc12 ZINC001232013570 1376382412 /nfs/dbraw/zinc/38/24/12/1376382412.db2.gz RIISHPFWBPJHDK-MISYRCLQSA-N 2 1 341.455 3.111 20 0 EGADMP CC[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232016208 1376384388 /nfs/dbraw/zinc/38/43/88/1376384388.db2.gz UUJJSNLASHKEQU-MRXNPFEDSA-N 2 1 344.459 3.394 20 0 EGADMP CC(C)(C)OC(=O)N1CC([N@H+](Cc2cc3c[nH+]ccc3[nH]2)C2CC2)C1 ZINC001232017201 1376386326 /nfs/dbraw/zinc/38/63/26/1376386326.db2.gz MYNROCUFPXWYFY-UHFFFAOYSA-N 2 1 342.443 3.147 20 0 EGADMP CC(C)(C)OC(=O)N1CC([N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C2CC2)C1 ZINC001232017201 1376386337 /nfs/dbraw/zinc/38/63/37/1376386337.db2.gz MYNROCUFPXWYFY-UHFFFAOYSA-N 2 1 342.443 3.147 20 0 EGADMP CN(CC[N@@H+](C)Cc1ccccc1)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232152460 1376410285 /nfs/dbraw/zinc/41/02/85/1376410285.db2.gz XXLFPOMOGRDEAW-UHFFFAOYSA-N 2 1 343.490 3.451 20 0 EGADMP Nc1ccc(F)cc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001232511807 1376473038 /nfs/dbraw/zinc/47/30/38/1376473038.db2.gz RZBVGMAQLGZHGW-IEBWSBKVSA-N 2 1 339.458 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH+](C)Cc1cccc(C)c1 ZINC001327212243 1388445088 /nfs/dbraw/zinc/44/50/88/1388445088.db2.gz BTTMKSXSAVJXOO-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CCC[N@H+](C)Cc1cccc(C)c1 ZINC001327212243 1388445092 /nfs/dbraw/zinc/44/50/92/1388445092.db2.gz BTTMKSXSAVJXOO-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)Cc1cccc(C)c1 ZINC001327212243 1388445097 /nfs/dbraw/zinc/44/50/97/1388445097.db2.gz BTTMKSXSAVJXOO-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)c(C)c1 ZINC001134612173 1376624774 /nfs/dbraw/zinc/62/47/74/1376624774.db2.gz IUVZKEOBVBGJRW-ZWKOTPCHSA-N 2 1 345.531 3.161 20 0 EGADMP CCC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134774154 1376713512 /nfs/dbraw/zinc/71/35/12/1376713512.db2.gz VYMDNKLVXVKBQC-CSLLIFPHSA-N 2 1 325.541 3.336 20 0 EGADMP CC(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134790937 1376724014 /nfs/dbraw/zinc/72/40/14/1376724014.db2.gz LHEMUWYAOOECRZ-JKSUJKDBSA-N 2 1 325.541 3.168 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21)[NH+](CC)CC ZINC001189109996 1388459766 /nfs/dbraw/zinc/45/97/66/1388459766.db2.gz IJFYZFGHCJNIRD-XUVXKRRUSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234346671 1376814554 /nfs/dbraw/zinc/81/45/54/1376814554.db2.gz ZZQPMBICLJYMJS-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP c1ccc(Oc2ccccc2C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235036301 1376835016 /nfs/dbraw/zinc/83/50/16/1376835016.db2.gz LJTJDLKPIQSHEH-WIYYLYMNSA-N 2 1 338.451 3.289 20 0 EGADMP Fc1cccc(COc2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)c1 ZINC001235192532 1376859511 /nfs/dbraw/zinc/85/95/11/1376859511.db2.gz COFBANMVXUNWEB-RTBURBONSA-N 2 1 340.442 3.446 20 0 EGADMP Fc1cccc(COc2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)c1 ZINC001235192532 1376859514 /nfs/dbraw/zinc/85/95/14/1376859514.db2.gz COFBANMVXUNWEB-RTBURBONSA-N 2 1 340.442 3.446 20 0 EGADMP [O-]c1cc(F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235428353 1376869533 /nfs/dbraw/zinc/86/95/33/1376869533.db2.gz PORHNILZPFTYEW-OLZOCXBDSA-N 2 1 326.843 3.396 20 0 EGADMP [O-]c1cc(F)c(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235428353 1376869539 /nfs/dbraw/zinc/86/95/39/1376869539.db2.gz PORHNILZPFTYEW-OLZOCXBDSA-N 2 1 326.843 3.396 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427610 1376870953 /nfs/dbraw/zinc/87/09/53/1376870953.db2.gz SJIQPOSJXSMXQD-ZWKOTPCHSA-N 2 1 339.483 3.455 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135078010 1376882939 /nfs/dbraw/zinc/88/29/39/1376882939.db2.gz XMSZIMGZGAZJSD-IRXDYDNUSA-N 2 1 337.552 3.314 20 0 EGADMP CCOc1nccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c1Cl ZINC001235703550 1376883922 /nfs/dbraw/zinc/88/39/22/1376883922.db2.gz YOCCZOSBVPMNHG-UHFFFAOYSA-N 2 1 337.895 3.345 20 0 EGADMP COc1cccc([C@H]2CCCC[N@H+]2Cc2ccc3n2CC[NH2+]C3)c1 ZINC001235727521 1376887041 /nfs/dbraw/zinc/88/70/41/1376887041.db2.gz SQXGPVGTOGZERT-HXUWFJFHSA-N 2 1 325.456 3.327 20 0 EGADMP c1nc2n(c1C[N@@H+](CCc1ccccc1)Cc1ccccc1)CC[NH2+]C2 ZINC001235947548 1376922185 /nfs/dbraw/zinc/92/21/85/1376922185.db2.gz CYJYYUIZJUVEDP-UHFFFAOYSA-N 2 1 346.478 3.231 20 0 EGADMP c1nc2n(c1C[N@H+](CCc1ccccc1)Cc1ccccc1)CC[NH2+]C2 ZINC001235947548 1376922188 /nfs/dbraw/zinc/92/21/88/1376922188.db2.gz CYJYYUIZJUVEDP-UHFFFAOYSA-N 2 1 346.478 3.231 20 0 EGADMP c1ccc(-c2cccc(N3CC[NH+](C[C@@H]4CCC[NH2+]C4)CC3)c2)cc1 ZINC001236181371 1376939834 /nfs/dbraw/zinc/93/98/34/1376939834.db2.gz IWYCJNFBUZJQCS-LJQANCHMSA-N 2 1 335.495 3.475 20 0 EGADMP CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227259 1376942591 /nfs/dbraw/zinc/94/25/91/1376942591.db2.gz AWMBOJUZUBYTNU-UHFFFAOYSA-N 2 1 347.503 3.283 20 0 EGADMP c1ccc(C[N@@H+](CCc2ccc3c(c2)CCO3)[C@H]2CCC[NH2+]C2)cc1 ZINC001236271100 1376947616 /nfs/dbraw/zinc/94/76/16/1376947616.db2.gz YMMLRYUWQRSHIZ-NRFANRHFSA-N 2 1 336.479 3.418 20 0 EGADMP c1ccc(C[N@H+](CCc2ccc3c(c2)CCO3)[C@H]2CCC[NH2+]C2)cc1 ZINC001236271100 1376947621 /nfs/dbraw/zinc/94/76/21/1376947621.db2.gz YMMLRYUWQRSHIZ-NRFANRHFSA-N 2 1 336.479 3.418 20 0 EGADMP C[C@@H](c1ccc(Br)cc1)[N@H+](C)C[C@@H]1CNC(C)(C)O1 ZINC001237460844 1376979170 /nfs/dbraw/zinc/97/91/70/1376979170.db2.gz BCZWOYUJXXIGSR-FZMZJTMJSA-N 2 1 327.266 3.166 20 0 EGADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246157448 1377050411 /nfs/dbraw/zinc/05/04/11/1377050411.db2.gz BDPCPBDTAUTOSN-MORSLUCNSA-N 2 1 340.870 3.301 20 0 EGADMP c1ccc(OC2CCC([NH2+][C@@H]3CCCC[C@@]34C[NH2+]CCO4)CC2)cc1 ZINC001246161538 1377050415 /nfs/dbraw/zinc/05/04/15/1377050415.db2.gz SJXPJUKWEZLOGZ-CGNZLSCGSA-N 2 1 344.499 3.267 20 0 EGADMP c1csc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246749362 1377053924 /nfs/dbraw/zinc/05/39/24/1377053924.db2.gz WCIUDBJSACUOPH-PNYFIKQUSA-N 2 1 345.556 3.319 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CCCC1CCCC1 ZINC001135437455 1377098211 /nfs/dbraw/zinc/09/82/11/1377098211.db2.gz UKBZPXXQAYVWCO-UHFFFAOYSA-N 2 1 325.541 3.175 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CC1 ZINC001254509572 1377105167 /nfs/dbraw/zinc/10/51/67/1377105167.db2.gz PAFKXFVVIHDWDY-INIZCTEOSA-N 2 1 337.458 3.003 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CC1 ZINC001254509574 1377105421 /nfs/dbraw/zinc/10/54/21/1377105421.db2.gz PAFKXFVVIHDWDY-MRXNPFEDSA-N 2 1 337.458 3.003 20 0 EGADMP Cc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+]2CCC(C)(C)C2)c1 ZINC001135468750 1377108060 /nfs/dbraw/zinc/10/80/60/1377108060.db2.gz SRZRYHCNFUQQAR-ZWKOTPCHSA-N 2 1 345.531 3.100 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1)[NH2+]CCC(C)(C)C ZINC001135476388 1377110973 /nfs/dbraw/zinc/11/09/73/1377110973.db2.gz KFUWIGJPEYNNAM-CVEARBPZSA-N 2 1 325.541 3.027 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477185 1377111074 /nfs/dbraw/zinc/11/10/74/1377111074.db2.gz SBYDQLXQKYSEAF-IRXDYDNUSA-N 2 1 337.552 3.172 20 0 EGADMP CCCC(CCC)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001257337544 1377113843 /nfs/dbraw/zinc/11/38/43/1377113843.db2.gz XXUIQIPXPMHXHN-HOJAQTOUSA-N 2 1 347.551 3.420 20 0 EGADMP CCCC(CCC)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001257337544 1377113845 /nfs/dbraw/zinc/11/38/45/1377113845.db2.gz XXUIQIPXPMHXHN-HOJAQTOUSA-N 2 1 347.551 3.420 20 0 EGADMP CCCC(CCC)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001257337544 1377113846 /nfs/dbraw/zinc/11/38/46/1377113846.db2.gz XXUIQIPXPMHXHN-HOJAQTOUSA-N 2 1 347.551 3.420 20 0 EGADMP CCCC(CCC)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001257337544 1377113848 /nfs/dbraw/zinc/11/38/48/1377113848.db2.gz XXUIQIPXPMHXHN-HOJAQTOUSA-N 2 1 347.551 3.420 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1ccc(C)cc1 ZINC001135860705 1377238107 /nfs/dbraw/zinc/23/81/07/1377238107.db2.gz GMGCYXXBUNOCHS-RTBURBONSA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001135861516 1377238556 /nfs/dbraw/zinc/23/85/56/1377238556.db2.gz RXZOHXPOOKNEQN-ROUUACIJSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001135979630 1377284832 /nfs/dbraw/zinc/28/48/32/1377284832.db2.gz HYMSBYCJDKRUQY-IAGOWNOFSA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1CC ZINC001135992886 1377291455 /nfs/dbraw/zinc/29/14/55/1377291455.db2.gz WDMPRIHSOYSFKC-MSOLQXFVSA-N 2 1 347.547 3.354 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001267090247 1377411680 /nfs/dbraw/zinc/41/16/80/1377411680.db2.gz IAJNMOZXFGHGOO-PMACEKPBSA-N 2 1 345.531 3.108 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267683586 1377466129 /nfs/dbraw/zinc/46/61/29/1377466129.db2.gz LKDMAQJMNJNUQX-GOSISDBHSA-N 2 1 339.568 3.181 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267683586 1377466124 /nfs/dbraw/zinc/46/61/24/1377466124.db2.gz LKDMAQJMNJNUQX-GOSISDBHSA-N 2 1 339.568 3.181 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001267683586 1377466126 /nfs/dbraw/zinc/46/61/26/1377466126.db2.gz LKDMAQJMNJNUQX-GOSISDBHSA-N 2 1 339.568 3.181 20 0 EGADMP C[N@@H+](CCCC1CCCC1)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001267759268 1377468240 /nfs/dbraw/zinc/46/82/40/1377468240.db2.gz WAHHLRVLCMPHRA-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCCC1CCCC1)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001267759268 1377468244 /nfs/dbraw/zinc/46/82/44/1377468244.db2.gz WAHHLRVLCMPHRA-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCCC1CCCC1)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267759268 1377468247 /nfs/dbraw/zinc/46/82/47/1377468247.db2.gz WAHHLRVLCMPHRA-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP COc1nc2ccccc2cc1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001137207954 1377496982 /nfs/dbraw/zinc/49/69/82/1377496982.db2.gz FLHTUSHNMYCKOM-UHFFFAOYSA-N 2 1 348.450 3.269 20 0 EGADMP c1nc2n(c1C[NH+]1CCCC1)CC[N@H+](Cc1cc3ccccc3[nH]1)CC2 ZINC001137316057 1377516870 /nfs/dbraw/zinc/51/68/70/1377516870.db2.gz XZKIMVVESRHTQU-UHFFFAOYSA-N 2 1 349.482 3.019 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C(=O)Nc2cccc3c2C[NH+](C2CC2)C3)C1 ZINC001137994212 1377661506 /nfs/dbraw/zinc/66/15/06/1377661506.db2.gz MYPQRDDYEMVBDQ-MRXNPFEDSA-N 2 1 327.472 3.224 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)C1 ZINC001137994212 1377661509 /nfs/dbraw/zinc/66/15/09/1377661509.db2.gz MYPQRDDYEMVBDQ-MRXNPFEDSA-N 2 1 327.472 3.224 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)C1 ZINC001137994212 1377661514 /nfs/dbraw/zinc/66/15/14/1377661514.db2.gz MYPQRDDYEMVBDQ-MRXNPFEDSA-N 2 1 327.472 3.224 20 0 EGADMP CC(=O)Oc1cccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001138042968 1377670410 /nfs/dbraw/zinc/67/04/10/1377670410.db2.gz JBOZONKPOAMHTB-LJQANCHMSA-N 2 1 330.472 3.452 20 0 EGADMP CC(=O)Oc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001138042968 1377670411 /nfs/dbraw/zinc/67/04/11/1377670411.db2.gz JBOZONKPOAMHTB-LJQANCHMSA-N 2 1 330.472 3.452 20 0 EGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC001138158977 1377686401 /nfs/dbraw/zinc/68/64/01/1377686401.db2.gz HMEDEJXVWILRIY-UHFFFAOYSA-N 2 1 339.468 3.164 20 0 EGADMP c1cc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)c2nccnc2c1 ZINC001138301305 1377698986 /nfs/dbraw/zinc/69/89/86/1377698986.db2.gz JWFSEXPMAQVUAZ-UHFFFAOYSA-N 2 1 336.483 3.470 20 0 EGADMP c1cc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)c2nccnc2c1 ZINC001138301305 1377698988 /nfs/dbraw/zinc/69/89/88/1377698988.db2.gz JWFSEXPMAQVUAZ-UHFFFAOYSA-N 2 1 336.483 3.470 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc5nccnc45)C[C@H]3C2)cc1 ZINC001138304338 1377699240 /nfs/dbraw/zinc/69/92/40/1377699240.db2.gz KMUJOASANADZIM-WOJBJXKFSA-N 2 1 344.462 3.194 20 0 EGADMP Cc1nc([C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)no1 ZINC001138545210 1377739881 /nfs/dbraw/zinc/73/98/81/1377739881.db2.gz TTZXVAVIYLZOBU-KRWDZBQOSA-N 2 1 337.427 3.252 20 0 EGADMP Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)no1 ZINC001138545210 1377739887 /nfs/dbraw/zinc/73/98/87/1377739887.db2.gz TTZXVAVIYLZOBU-KRWDZBQOSA-N 2 1 337.427 3.252 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)cc1 ZINC001138548760 1377740392 /nfs/dbraw/zinc/74/03/92/1377740392.db2.gz JUUQEKVHOBTCME-QGZVFWFLSA-N 2 1 333.382 3.181 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@]3(C2)CC(F)(F)CO3)cc1 ZINC001138548760 1377740394 /nfs/dbraw/zinc/74/03/94/1377740394.db2.gz JUUQEKVHOBTCME-QGZVFWFLSA-N 2 1 333.382 3.181 20 0 EGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc(OC(F)F)c(OC)c3)C[C@H]2C1 ZINC001138555933 1377741751 /nfs/dbraw/zinc/74/17/51/1377741751.db2.gz XQZMQOKHGRZFAM-GASCZTMLSA-N 2 1 340.414 3.070 20 0 EGADMP Cc1cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(C)s1 ZINC001138570227 1377745226 /nfs/dbraw/zinc/74/52/26/1377745226.db2.gz RXXUALKNERQJQJ-UHFFFAOYSA-N 2 1 344.528 3.216 20 0 EGADMP CCOc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1OCC ZINC001138975441 1377812001 /nfs/dbraw/zinc/81/20/01/1377812001.db2.gz HEWWDUYSBGKXMZ-UHFFFAOYSA-N 2 1 332.488 3.402 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc3c(ccn3C)c2)CC1 ZINC001139190785 1377847471 /nfs/dbraw/zinc/84/74/71/1377847471.db2.gz WPSGZHSBWYTGHU-HXUWFJFHSA-N 2 1 341.499 3.254 20 0 EGADMP CN1CCN(c2ncc(C[N@@H+](C)[C@@H]3CCc4ccccc43)s2)CC1 ZINC001139326263 1377868957 /nfs/dbraw/zinc/86/89/57/1377868957.db2.gz OHSGQXFOUJDZDM-GOSISDBHSA-N 2 1 342.512 3.014 20 0 EGADMP CCOc1ccc(C)cc1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001139606308 1377916532 /nfs/dbraw/zinc/91/65/32/1377916532.db2.gz QPXKXGHBBNMPHY-UHFFFAOYSA-N 2 1 325.456 3.419 20 0 EGADMP CCOc1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1CC ZINC001139624504 1377920914 /nfs/dbraw/zinc/92/09/14/1377920914.db2.gz KLSGIKXLBDEAIN-UHFFFAOYSA-N 2 1 345.487 3.278 20 0 EGADMP Cc1ccc2[nH]nc(C[NH+]3CCC(C4CC[NH+](C)CC4)CC3)c2c1 ZINC001140330490 1378046661 /nfs/dbraw/zinc/04/66/61/1378046661.db2.gz BXBNZKHRQXNPFZ-UHFFFAOYSA-N 2 1 326.488 3.425 20 0 EGADMP COC(=O)Cc1ccccc1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001140654455 1378106025 /nfs/dbraw/zinc/10/60/25/1378106025.db2.gz KBNSSXZLPXMNEL-PMACEKPBSA-N 2 1 344.499 3.241 20 0 EGADMP COC(=O)Cc1ccccc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001140654455 1378106026 /nfs/dbraw/zinc/10/60/26/1378106026.db2.gz KBNSSXZLPXMNEL-PMACEKPBSA-N 2 1 344.499 3.241 20 0 EGADMP COC(=O)Cc1ccccc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001140654455 1378106030 /nfs/dbraw/zinc/10/60/30/1378106030.db2.gz KBNSSXZLPXMNEL-PMACEKPBSA-N 2 1 344.499 3.241 20 0 EGADMP CC[C@@H](C)C[N@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc2C1 ZINC001274036290 1378114274 /nfs/dbraw/zinc/11/42/74/1378114274.db2.gz MRHHLCVKOQJIFS-BEFAXECRSA-N 2 1 331.504 3.005 20 0 EGADMP Cc1ncsc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(F)(F)F ZINC001275163808 1378136225 /nfs/dbraw/zinc/13/62/25/1378136225.db2.gz ZDTKHQSWBMCQEW-YHWZYXNKSA-N 2 1 333.423 3.489 20 0 EGADMP Cc1ncsc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(F)(F)F ZINC001275163808 1378136227 /nfs/dbraw/zinc/13/62/27/1378136227.db2.gz ZDTKHQSWBMCQEW-YHWZYXNKSA-N 2 1 333.423 3.489 20 0 EGADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3cnc4cc[nH]cc3-4)[C@@H]2C1 ZINC001140801836 1378140643 /nfs/dbraw/zinc/14/06/43/1378140643.db2.gz HNJMJRZQKYRIRA-SUMWQHHRSA-N 2 1 342.443 3.004 20 0 EGADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)[C@@H]2C1 ZINC001140801836 1378140645 /nfs/dbraw/zinc/14/06/45/1378140645.db2.gz HNJMJRZQKYRIRA-SUMWQHHRSA-N 2 1 342.443 3.004 20 0 EGADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)[C@@H]2C1 ZINC001140801836 1378140646 /nfs/dbraw/zinc/14/06/46/1378140646.db2.gz HNJMJRZQKYRIRA-SUMWQHHRSA-N 2 1 342.443 3.004 20 0 EGADMP COc1cccnc1O[C@@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805881 1378144818 /nfs/dbraw/zinc/14/48/18/1378144818.db2.gz PLCJXKDCRNEKJJ-OAHLLOKOSA-N 2 1 338.411 3.010 20 0 EGADMP COc1cccnc1O[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805881 1378144820 /nfs/dbraw/zinc/14/48/20/1378144820.db2.gz PLCJXKDCRNEKJJ-OAHLLOKOSA-N 2 1 338.411 3.010 20 0 EGADMP c1cn(CC[N@H+]2CCC[C@@]3(CCC[NH+](Cc4ccsc4)C3)C2)cn1 ZINC001275866999 1378159721 /nfs/dbraw/zinc/15/97/21/1378159721.db2.gz WOXDRSLTYSHDQH-LJQANCHMSA-N 2 1 344.528 3.323 20 0 EGADMP c1cn(CC[NH+]2CCC[C@@]3(CCC[N@H+](Cc4ccsc4)C3)C2)cn1 ZINC001275866999 1378159723 /nfs/dbraw/zinc/15/97/23/1378159723.db2.gz WOXDRSLTYSHDQH-LJQANCHMSA-N 2 1 344.528 3.323 20 0 EGADMP c1cn(CC[NH+]2CCC[C@@]3(CCC[N@@H+](Cc4ccsc4)C3)C2)cn1 ZINC001275866999 1378159728 /nfs/dbraw/zinc/15/97/28/1378159728.db2.gz WOXDRSLTYSHDQH-LJQANCHMSA-N 2 1 344.528 3.323 20 0 EGADMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(Cl)s3)(C1)CCC2 ZINC001276162719 1378168605 /nfs/dbraw/zinc/16/86/05/1378168605.db2.gz OXBWNRMCRAWQGB-DLBZAZTESA-N 2 1 341.952 3.488 20 0 EGADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cccc(-c4cncnc4)c3)C2)C1 ZINC001276336248 1378171913 /nfs/dbraw/zinc/17/19/13/1378171913.db2.gz HOQLMJGOUJKRRA-OAQYLSRUSA-N 2 1 336.483 3.451 20 0 EGADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cccc(-c4cncnc4)c3)C2)C1 ZINC001276336248 1378171915 /nfs/dbraw/zinc/17/19/15/1378171915.db2.gz HOQLMJGOUJKRRA-OAQYLSRUSA-N 2 1 336.483 3.451 20 0 EGADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cccc(-c4cncnc4)c3)C2)C1 ZINC001276336248 1378171917 /nfs/dbraw/zinc/17/19/17/1378171917.db2.gz HOQLMJGOUJKRRA-OAQYLSRUSA-N 2 1 336.483 3.451 20 0 EGADMP Cc1ccc([C@H](C)CC[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)o1 ZINC001276470206 1378174455 /nfs/dbraw/zinc/17/44/55/1378174455.db2.gz LLSPZKPWZWUXDO-MRXNPFEDSA-N 2 1 342.487 3.403 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)CC1 ZINC001140969989 1378195760 /nfs/dbraw/zinc/19/57/60/1378195760.db2.gz BPPCHCADWPFGRR-KRWDZBQOSA-N 2 1 341.421 3.008 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCCC(F)(F)[C@@H](F)C2)CC1 ZINC001140969989 1378195771 /nfs/dbraw/zinc/19/57/71/1378195771.db2.gz BPPCHCADWPFGRR-KRWDZBQOSA-N 2 1 341.421 3.008 20 0 EGADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccnc4ccc(OC)cc34)C[C@H]2C1 ZINC001141152517 1378251014 /nfs/dbraw/zinc/25/10/14/1378251014.db2.gz LZZRZUSWXCCMMD-IAGOWNOFSA-N 2 1 325.456 3.017 20 0 EGADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(C(F)(F)F)cc1OC ZINC001141612480 1378351525 /nfs/dbraw/zinc/35/15/25/1378351525.db2.gz RVURINVBUJHZQG-UHFFFAOYSA-N 2 1 327.350 3.433 20 0 EGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1scc2c1OCCO2 ZINC001143191292 1378557475 /nfs/dbraw/zinc/55/74/75/1378557475.db2.gz ZRNMFEHHYBPXQD-GJZGRUSLSA-N 2 1 336.501 3.358 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1scc2c1OCCO2 ZINC001143191292 1378557480 /nfs/dbraw/zinc/55/74/80/1378557480.db2.gz ZRNMFEHHYBPXQD-GJZGRUSLSA-N 2 1 336.501 3.358 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1scc2c1OCCO2 ZINC001143191292 1378557485 /nfs/dbraw/zinc/55/74/85/1378557485.db2.gz ZRNMFEHHYBPXQD-GJZGRUSLSA-N 2 1 336.501 3.358 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1scc2c1OCCO2 ZINC001143191292 1378557487 /nfs/dbraw/zinc/55/74/87/1378557487.db2.gz ZRNMFEHHYBPXQD-GJZGRUSLSA-N 2 1 336.501 3.358 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001143831213 1378650971 /nfs/dbraw/zinc/65/09/71/1378650971.db2.gz BWFVMMKBWCSRME-IEBWSBKVSA-N 2 1 345.531 3.352 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)CC(C)(C)C ZINC001143898142 1378658092 /nfs/dbraw/zinc/65/80/92/1378658092.db2.gz ZZSHNPGOBSBJLU-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001144005517 1378669713 /nfs/dbraw/zinc/66/97/13/1378669713.db2.gz VYEOPDAXVROMJL-MRXNPFEDSA-N 2 1 344.377 3.121 20 0 EGADMP Cc1cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)c(C)s1 ZINC001146603342 1378877008 /nfs/dbraw/zinc/87/70/08/1378877008.db2.gz XEALPTAYKPEWGG-UONOGXRCSA-N 2 1 339.549 3.078 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707700 1378904325 /nfs/dbraw/zinc/90/43/25/1378904325.db2.gz XXXGTBPOURXALS-ROUUACIJSA-N 2 1 347.547 3.428 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707700 1378904327 /nfs/dbraw/zinc/90/43/27/1378904327.db2.gz XXXGTBPOURXALS-ROUUACIJSA-N 2 1 347.547 3.428 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001146710261 1378905268 /nfs/dbraw/zinc/90/52/68/1378905268.db2.gz IJXOYQPPXDJSCP-LBPRGKRZSA-N 2 1 346.302 3.102 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC1CCCCCC1 ZINC001147358553 1379008602 /nfs/dbraw/zinc/00/86/02/1379008602.db2.gz GPYQZOVPIBSMBU-IBGZPJMESA-N 2 1 337.552 3.317 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001147359140 1379008680 /nfs/dbraw/zinc/00/86/80/1379008680.db2.gz LYBNJSDNJNBZGK-VQIMIIECSA-N 2 1 349.494 3.247 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](C)CC(C)C ZINC001147359546 1379008999 /nfs/dbraw/zinc/00/89/99/1379008999.db2.gz RJMYVSOFHKDPKL-QZTJIDSGSA-N 2 1 325.541 3.029 20 0 EGADMP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC001283621425 1379060747 /nfs/dbraw/zinc/06/07/47/1379060747.db2.gz KPWCTPSBMVYINM-LPHOPBHVSA-N 2 1 331.504 3.059 20 0 EGADMP CC(C)CCC[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147716269 1379064096 /nfs/dbraw/zinc/06/40/96/1379064096.db2.gz CEORTQKZLYVHFA-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147716269 1379064100 /nfs/dbraw/zinc/06/41/00/1379064100.db2.gz CEORTQKZLYVHFA-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147716269 1379064102 /nfs/dbraw/zinc/06/41/02/1379064102.db2.gz CEORTQKZLYVHFA-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)CC[NH+](CCC1CCCCC1)C2 ZINC001147835474 1379088177 /nfs/dbraw/zinc/08/81/77/1379088177.db2.gz HUWUWMKUAZSUGT-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CCC1CCCCC1)C2 ZINC001147835474 1379088179 /nfs/dbraw/zinc/08/81/79/1379088179.db2.gz HUWUWMKUAZSUGT-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](CCC1CCCCC1)C2 ZINC001147835474 1379088182 /nfs/dbraw/zinc/08/81/82/1379088182.db2.gz HUWUWMKUAZSUGT-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)[C@H]1C ZINC001283924860 1379276451 /nfs/dbraw/zinc/27/64/51/1379276451.db2.gz BBAVMYQAMCBRNY-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001148838896 1379279529 /nfs/dbraw/zinc/27/95/29/1379279529.db2.gz HFDODDIDSILRPI-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148838904 1379279551 /nfs/dbraw/zinc/27/95/51/1379279551.db2.gz HHZYDMRPTTUIBU-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148900259 1379294468 /nfs/dbraw/zinc/29/44/68/1379294468.db2.gz XJFIWATVBOOUGD-UHFFFAOYSA-N 2 1 349.563 3.367 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148900204 1379294499 /nfs/dbraw/zinc/29/44/99/1379294499.db2.gz VHEQHNZXQQJKFK-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001327940202 1388628015 /nfs/dbraw/zinc/62/80/15/1388628015.db2.gz LXYMUTVXULMCKG-FXAWDEMLSA-N 2 1 345.531 3.088 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001152452198 1379936546 /nfs/dbraw/zinc/93/65/46/1379936546.db2.gz WJKIZXNHHLLPHM-LJQANCHMSA-N 2 1 345.531 3.064 20 0 EGADMP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153388214 1380067960 /nfs/dbraw/zinc/06/79/60/1380067960.db2.gz WHYGDEJFUIQDMP-XLIONFOSSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)Cc2ccc(C)cc2)CC[N@H+]1C ZINC001153501713 1380085897 /nfs/dbraw/zinc/08/58/97/1380085897.db2.gz SGJAAZMLTWMCKJ-YZGWKJHDSA-N 2 1 345.531 3.052 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc2ccc(C)cc2)CC[NH+]1C ZINC001153501713 1380085899 /nfs/dbraw/zinc/08/58/99/1380085899.db2.gz SGJAAZMLTWMCKJ-YZGWKJHDSA-N 2 1 345.531 3.052 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ccc(C)cc2)CC[NH+]1C ZINC001153501713 1380085901 /nfs/dbraw/zinc/08/59/01/1380085901.db2.gz SGJAAZMLTWMCKJ-YZGWKJHDSA-N 2 1 345.531 3.052 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCC(C)C ZINC001153728947 1380119277 /nfs/dbraw/zinc/11/92/77/1380119277.db2.gz VTQMEXHZAJOYRV-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCCC(C)C ZINC001153728947 1380119279 /nfs/dbraw/zinc/11/92/79/1380119279.db2.gz VTQMEXHZAJOYRV-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCCC(C)C ZINC001153728947 1380119282 /nfs/dbraw/zinc/11/92/82/1380119282.db2.gz VTQMEXHZAJOYRV-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1Cl)[NH+](C)C ZINC001153998454 1380174895 /nfs/dbraw/zinc/17/48/95/1380174895.db2.gz RTTULZOFQNWEKF-RHSMWYFYSA-N 2 1 339.911 3.007 20 0 EGADMP CC[C@@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116287 1380211986 /nfs/dbraw/zinc/21/19/86/1380211986.db2.gz GCSNJVOZPDJJNY-HUUCEWRRSA-N 2 1 330.476 3.129 20 0 EGADMP CC[N@@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)Cn1cncc1C ZINC001154332417 1380257127 /nfs/dbraw/zinc/25/71/27/1380257127.db2.gz UYEMIPFUFKQHSU-GOSISDBHSA-N 2 1 348.535 3.379 20 0 EGADMP CC[N@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154332417 1380257129 /nfs/dbraw/zinc/25/71/29/1380257129.db2.gz UYEMIPFUFKQHSU-GOSISDBHSA-N 2 1 348.535 3.379 20 0 EGADMP CC[N@@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154332417 1380257131 /nfs/dbraw/zinc/25/71/31/1380257131.db2.gz UYEMIPFUFKQHSU-GOSISDBHSA-N 2 1 348.535 3.379 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154347707 1380261137 /nfs/dbraw/zinc/26/11/37/1380261137.db2.gz IKXQCGHHWBYCAO-MRXNPFEDSA-N 2 1 330.476 3.211 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455625 1380280851 /nfs/dbraw/zinc/28/08/51/1380280851.db2.gz WPCHJNCUEPTGGG-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001154844628 1380363788 /nfs/dbraw/zinc/36/37/88/1380363788.db2.gz QSJAXRCLKZIFGK-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](CC1CCC1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001154844628 1380363790 /nfs/dbraw/zinc/36/37/90/1380363790.db2.gz QSJAXRCLKZIFGK-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](CC1CCC1)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001154844628 1380363793 /nfs/dbraw/zinc/36/37/93/1380363793.db2.gz QSJAXRCLKZIFGK-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155067383 1380402416 /nfs/dbraw/zinc/40/24/16/1380402416.db2.gz YKDZSFGARUXOLH-IWNSMCSQSA-N 2 1 345.531 3.113 20 0 EGADMP CCc1ccc(C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001155084661 1380405198 /nfs/dbraw/zinc/40/51/98/1380405198.db2.gz DDDZUUFNSSNIFF-YLJYHZDGSA-N 2 1 347.547 3.162 20 0 EGADMP CC[N@@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263268 1380430054 /nfs/dbraw/zinc/43/00/54/1380430054.db2.gz ONWFHMBNQLXNEN-GOSISDBHSA-N 2 1 347.547 3.300 20 0 EGADMP CC[NH+](Cc1cccc(C)c1)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001155263268 1380430055 /nfs/dbraw/zinc/43/00/55/1380430055.db2.gz ONWFHMBNQLXNEN-GOSISDBHSA-N 2 1 347.547 3.300 20 0 EGADMP CC[NH+](Cc1cccc(C)c1)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001155263268 1380430056 /nfs/dbraw/zinc/43/00/56/1380430056.db2.gz ONWFHMBNQLXNEN-GOSISDBHSA-N 2 1 347.547 3.300 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)nc1 ZINC001155588133 1380470812 /nfs/dbraw/zinc/47/08/12/1380470812.db2.gz QENODHMITWVGOH-XGXHKWSGSA-N 2 1 328.504 3.429 20 0 EGADMP COc1ccc2[nH+]c(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)cc(C)c2c1 ZINC001155600266 1380471654 /nfs/dbraw/zinc/47/16/54/1380471654.db2.gz WDGMXIGTXHMVDO-YWZLYKJASA-N 2 1 341.455 3.122 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631524 1380476846 /nfs/dbraw/zinc/47/68/46/1380476846.db2.gz RSKOCLZNZDLGIT-GFOMBABLSA-N 2 1 337.552 3.291 20 0 EGADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001155802150 1380493215 /nfs/dbraw/zinc/49/32/15/1380493215.db2.gz GVTCEXKKDPOGAE-UZLBHIALSA-N 2 1 339.483 3.091 20 0 EGADMP CC[C@@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155838747 1380498032 /nfs/dbraw/zinc/49/80/32/1380498032.db2.gz DHTSWUHSWRIFPF-IAGOWNOFSA-N 2 1 333.520 3.235 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CCCCCF ZINC001155877641 1380502082 /nfs/dbraw/zinc/50/20/82/1380502082.db2.gz CBTRGZLBEJXJOB-GOSISDBHSA-N 2 1 345.547 3.465 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CCCCCF ZINC001155877641 1380502083 /nfs/dbraw/zinc/50/20/83/1380502083.db2.gz CBTRGZLBEJXJOB-GOSISDBHSA-N 2 1 345.547 3.465 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CCCCCF ZINC001155877641 1380502084 /nfs/dbraw/zinc/50/20/84/1380502084.db2.gz CBTRGZLBEJXJOB-GOSISDBHSA-N 2 1 345.547 3.465 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157086173 1380772405 /nfs/dbraw/zinc/77/24/05/1380772405.db2.gz GSFZYVQSJDGRJL-QGZVFWFLSA-N 2 1 333.520 3.235 20 0 EGADMP C[N@@H+]1CCC[C@@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@H]21 ZINC001157269614 1380829466 /nfs/dbraw/zinc/82/94/66/1380829466.db2.gz BNVCLASPSBLMMI-IEBWSBKVSA-N 2 1 336.483 3.365 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@H]21 ZINC001157269614 1380829470 /nfs/dbraw/zinc/82/94/70/1380829470.db2.gz BNVCLASPSBLMMI-IEBWSBKVSA-N 2 1 336.483 3.365 20 0 EGADMP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287396 1380834913 /nfs/dbraw/zinc/83/49/13/1380834913.db2.gz UFIFMAQPYAAOJY-QULHZPMSSA-N 2 1 345.531 3.301 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287396 1380834915 /nfs/dbraw/zinc/83/49/15/1380834915.db2.gz UFIFMAQPYAAOJY-QULHZPMSSA-N 2 1 345.531 3.301 20 0 EGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001157287396 1380834918 /nfs/dbraw/zinc/83/49/18/1380834918.db2.gz UFIFMAQPYAAOJY-QULHZPMSSA-N 2 1 345.531 3.301 20 0 EGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001157287396 1380834921 /nfs/dbraw/zinc/83/49/21/1380834921.db2.gz UFIFMAQPYAAOJY-QULHZPMSSA-N 2 1 345.531 3.301 20 0 EGADMP CCC/C=C\CC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158098785 1381127454 /nfs/dbraw/zinc/12/74/54/1381127454.db2.gz JUBKWQSOGCYNKG-PHWHVTFISA-N 2 1 349.563 3.483 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)C[C@@H](C)CC(C)C)[NH+](C)C ZINC001158118152 1381133776 /nfs/dbraw/zinc/13/37/76/1381133776.db2.gz SXTAMZUMEWILRK-IPMKNSEASA-N 2 1 339.568 3.322 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CC1 ZINC001158597434 1381312958 /nfs/dbraw/zinc/31/29/58/1381312958.db2.gz CELZKOKWRPFPCT-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CC1 ZINC001158597434 1381312966 /nfs/dbraw/zinc/31/29/66/1381312966.db2.gz CELZKOKWRPFPCT-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[NH+](C)C2(CCCCC2)C1)C1CCCCC1 ZINC001158700437 1381359173 /nfs/dbraw/zinc/35/91/73/1381359173.db2.gz ANSSVNSGNJXDNR-UHFFFAOYSA-N 2 1 335.536 3.118 20 0 EGADMP C[NH+](CCC(=O)N1CC[N@H+](C)C2(CCCCC2)C1)C1CCCCC1 ZINC001158700437 1381359177 /nfs/dbraw/zinc/35/91/77/1381359177.db2.gz ANSSVNSGNJXDNR-UHFFFAOYSA-N 2 1 335.536 3.118 20 0 EGADMP C[NH+](CCC(=O)N1CC[N@@H+](C)C2(CCCCC2)C1)C1CCCCC1 ZINC001158700437 1381359182 /nfs/dbraw/zinc/35/91/82/1381359182.db2.gz ANSSVNSGNJXDNR-UHFFFAOYSA-N 2 1 335.536 3.118 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158914997 1381462600 /nfs/dbraw/zinc/46/26/00/1381462600.db2.gz YMRDZUZVWGZTHM-LJQANCHMSA-N 2 1 335.536 3.142 20 0 EGADMP CC(C)[C@H](Nc1nc(N2CCC([NH3+])CC2)cc[nH+]1)c1ccc(F)cc1 ZINC001159061427 1381551195 /nfs/dbraw/zinc/55/11/95/1381551195.db2.gz KMWZJTGUPTYOLH-SFHVURJKSA-N 2 1 343.450 3.352 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1c(C)cc(C)cc1C ZINC001159327414 1381764758 /nfs/dbraw/zinc/76/47/58/1381764758.db2.gz JCZLBGHCJFTCHL-FQEVSTJZSA-N 2 1 345.531 3.082 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C(C)C ZINC001159335003 1381767952 /nfs/dbraw/zinc/76/79/52/1381767952.db2.gz OJDNUNGXWQUXPV-HXUWFJFHSA-N 2 1 345.531 3.280 20 0 EGADMP C[NH+]1C(C)(C)CC(Nc2cccc(N3CCC([NH3+])CC3)n2)CC1(C)C ZINC001159396439 1381785381 /nfs/dbraw/zinc/78/53/81/1381785381.db2.gz YKCDSQHPGBKCNZ-UHFFFAOYSA-N 2 1 345.535 3.072 20 0 EGADMP Cc1cc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cs1 ZINC001159910312 1381934244 /nfs/dbraw/zinc/93/42/44/1381934244.db2.gz PYJRXQZAROODPR-SFHVURJKSA-N 2 1 349.544 3.059 20 0 EGADMP CCc1ccc(C[NH2+]CCCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001159909790 1381934422 /nfs/dbraw/zinc/93/44/22/1381934422.db2.gz NINKJLPLJRXTEC-HXUWFJFHSA-N 2 1 345.531 3.108 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccccc1N1CCC[C@H]([NH3+])C1 ZINC001159978877 1381957122 /nfs/dbraw/zinc/95/71/22/1381957122.db2.gz ZYLCPOIPWCJSAI-HNNXBMFYSA-N 2 1 325.460 3.127 20 0 EGADMP COc1cc(NCc2ccccc2N2CC[NH2+]CC2)[nH+]c2ccccc21 ZINC001160112307 1382000821 /nfs/dbraw/zinc/00/08/21/1382000821.db2.gz LVEUVDGAUOMUSE-UHFFFAOYSA-N 2 1 348.450 3.265 20 0 EGADMP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169410 1382023405 /nfs/dbraw/zinc/02/34/05/1382023405.db2.gz QQLXGRZYSYXCSD-SLVIYJBESA-N 2 1 347.547 3.211 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001160169410 1382023410 /nfs/dbraw/zinc/02/34/10/1382023410.db2.gz QQLXGRZYSYXCSD-SLVIYJBESA-N 2 1 347.547 3.211 20 0 EGADMP CC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001160169410 1382023414 /nfs/dbraw/zinc/02/34/14/1382023414.db2.gz QQLXGRZYSYXCSD-SLVIYJBESA-N 2 1 347.547 3.211 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC1=CC[N@H+](CC(C)C)CC1 ZINC001160168892 1382023522 /nfs/dbraw/zinc/02/35/22/1382023522.db2.gz CENDAMZPONLZJF-QGZVFWFLSA-N 2 1 346.519 3.191 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC1=CC[N@@H+](CC(C)C)CC1 ZINC001160168892 1382023525 /nfs/dbraw/zinc/02/35/25/1382023525.db2.gz CENDAMZPONLZJF-QGZVFWFLSA-N 2 1 346.519 3.191 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001160273682 1382058050 /nfs/dbraw/zinc/05/80/50/1382058050.db2.gz NDHCTCZABHQDHY-IBGZPJMESA-N 2 1 343.515 3.034 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001160274450 1382058111 /nfs/dbraw/zinc/05/81/11/1382058111.db2.gz SMFBSNULEVFCNA-MOPGFXCFSA-N 2 1 331.504 3.108 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NCCC1=CC[N@@H+](CCC2CCCC2)CC1)C1CC1 ZINC001160367972 1382084683 /nfs/dbraw/zinc/08/46/83/1382084683.db2.gz WSSXZLQBWCOLHH-HXUWFJFHSA-N 2 1 347.547 3.045 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001160473188 1382116758 /nfs/dbraw/zinc/11/67/58/1382116758.db2.gz HFVDVDSBSIHJRH-CSHXORCISA-N 2 1 335.536 3.211 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160519095 1382129266 /nfs/dbraw/zinc/12/92/66/1382129266.db2.gz WOANPNDWNYLFQL-UHFFFAOYSA-N 2 1 337.552 3.435 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001160519095 1382129267 /nfs/dbraw/zinc/12/92/67/1382129267.db2.gz WOANPNDWNYLFQL-UHFFFAOYSA-N 2 1 337.552 3.435 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001160519095 1382129270 /nfs/dbraw/zinc/12/92/70/1382129270.db2.gz WOANPNDWNYLFQL-UHFFFAOYSA-N 2 1 337.552 3.435 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160568475 1382145053 /nfs/dbraw/zinc/14/50/53/1382145053.db2.gz VUJZALWBHKPMLS-HXUWFJFHSA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160568475 1382145056 /nfs/dbraw/zinc/14/50/56/1382145056.db2.gz VUJZALWBHKPMLS-HXUWFJFHSA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160568475 1382145058 /nfs/dbraw/zinc/14/50/58/1382145058.db2.gz VUJZALWBHKPMLS-HXUWFJFHSA-N 2 1 347.547 3.211 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C(C)C)c1 ZINC001292582075 1382204548 /nfs/dbraw/zinc/20/45/48/1382204548.db2.gz IHHZWVNEKVWKTQ-HXUWFJFHSA-N 2 1 345.531 3.298 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160870002 1382219757 /nfs/dbraw/zinc/21/97/57/1382219757.db2.gz UNIDFRVFDHHDKN-MOPGFXCFSA-N 2 1 335.536 3.070 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC2=CC[NH+](CCC3CC3)CC2)C1 ZINC001160986350 1382262355 /nfs/dbraw/zinc/26/23/55/1382262355.db2.gz PROUUSXQABGSFA-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC2=CC[N@H+](CCC3CC3)CC2)C1 ZINC001160986350 1382262363 /nfs/dbraw/zinc/26/23/63/1382262363.db2.gz PROUUSXQABGSFA-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC2=CC[N@@H+](CCC3CC3)CC2)C1 ZINC001160986350 1382262366 /nfs/dbraw/zinc/26/23/66/1382262366.db2.gz PROUUSXQABGSFA-HXUWFJFHSA-N 2 1 347.547 3.047 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161008605 1382270487 /nfs/dbraw/zinc/27/04/87/1382270487.db2.gz STMXSVOPTXHVBJ-PXNSSMCTSA-N 2 1 349.563 3.291 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001161008605 1382270491 /nfs/dbraw/zinc/27/04/91/1382270491.db2.gz STMXSVOPTXHVBJ-PXNSSMCTSA-N 2 1 349.563 3.291 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001161008605 1382270494 /nfs/dbraw/zinc/27/04/94/1382270494.db2.gz STMXSVOPTXHVBJ-PXNSSMCTSA-N 2 1 349.563 3.291 20 0 EGADMP CC[NH+]1CCC(CC2CCN(C(=O)[C@@H]([NH3+])c3ccsc3)CC2)CC1 ZINC001161045397 1382282593 /nfs/dbraw/zinc/28/25/93/1382282593.db2.gz DADMAAWQKYHAIK-SFHVURJKSA-N 2 1 349.544 3.109 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161101904 1382297528 /nfs/dbraw/zinc/29/75/28/1382297528.db2.gz PLBQHUMXJNTXQM-AATRIKPKSA-N 2 1 347.547 3.213 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001161207487 1382342209 /nfs/dbraw/zinc/34/22/09/1382342209.db2.gz UQWWJVJBCQXVBC-SFHVURJKSA-N 2 1 335.536 3.047 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001161207487 1382342211 /nfs/dbraw/zinc/34/22/11/1382342211.db2.gz UQWWJVJBCQXVBC-SFHVURJKSA-N 2 1 335.536 3.047 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001161207487 1382342216 /nfs/dbraw/zinc/34/22/16/1382342216.db2.gz UQWWJVJBCQXVBC-SFHVURJKSA-N 2 1 335.536 3.047 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001161214289 1382344260 /nfs/dbraw/zinc/34/42/60/1382344260.db2.gz XSIOSQGHZPJKDV-MJGOQNOKSA-N 2 1 337.552 3.291 20 0 EGADMP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001161356576 1382382413 /nfs/dbraw/zinc/38/24/13/1382382413.db2.gz VRJRFXWKFJWSOS-KRWDZBQOSA-N 2 1 346.519 3.191 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001161356576 1382382418 /nfs/dbraw/zinc/38/24/18/1382382418.db2.gz VRJRFXWKFJWSOS-KRWDZBQOSA-N 2 1 346.519 3.191 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC001161412971 1382402503 /nfs/dbraw/zinc/40/25/03/1382402503.db2.gz NCDFHZRPEBYOAQ-YRPNKDGESA-N 2 1 343.515 3.045 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)N1CCC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC001161489903 1382420804 /nfs/dbraw/zinc/42/08/04/1382420804.db2.gz RIZQQEDOKXVIAF-PZJWPPBQSA-N 2 1 345.531 3.437 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161553531 1382437954 /nfs/dbraw/zinc/43/79/54/1382437954.db2.gz CZASIWZFGFZJBM-SNAWJCMRSA-N 2 1 347.547 3.213 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](CCCC2CCCC2)CC1 ZINC001161645932 1382469362 /nfs/dbraw/zinc/46/93/62/1382469362.db2.gz UMPWZZPQWUPWLK-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@H+](CCCC2CCCC2)CC1 ZINC001161645932 1382469364 /nfs/dbraw/zinc/46/93/64/1382469364.db2.gz UMPWZZPQWUPWLK-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CCCC2CCCC2)CC1 ZINC001161645932 1382469366 /nfs/dbraw/zinc/46/93/66/1382469366.db2.gz UMPWZZPQWUPWLK-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704855 1382485157 /nfs/dbraw/zinc/48/51/57/1382485157.db2.gz IGYSNWQQOMHWPT-OALUTQOASA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+](C)CCCCC(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001161734379 1382492141 /nfs/dbraw/zinc/49/21/41/1382492141.db2.gz ZQFFLFDSKBMZAG-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924881 1382554677 /nfs/dbraw/zinc/55/46/77/1382554677.db2.gz OGBZIXAGQGYQPF-HDICACEKSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924881 1382554683 /nfs/dbraw/zinc/55/46/83/1382554683.db2.gz OGBZIXAGQGYQPF-HDICACEKSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924881 1382554691 /nfs/dbraw/zinc/55/46/91/1382554691.db2.gz OGBZIXAGQGYQPF-HDICACEKSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@H+](CCCC2CCCC2)CC1 ZINC001161946856 1382566160 /nfs/dbraw/zinc/56/61/60/1382566160.db2.gz IQQQPIWKBQCIII-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@@H+](CCCC2CCCC2)CC1 ZINC001161946856 1382566168 /nfs/dbraw/zinc/56/61/68/1382566168.db2.gz IQQQPIWKBQCIII-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)C[N@H+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161946971 1382566462 /nfs/dbraw/zinc/56/64/62/1382566462.db2.gz OSZYKKJXBTZYLC-HXUWFJFHSA-N 2 1 343.515 3.084 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161946971 1382566468 /nfs/dbraw/zinc/56/64/68/1382566468.db2.gz OSZYKKJXBTZYLC-HXUWFJFHSA-N 2 1 343.515 3.084 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161952953 1382568681 /nfs/dbraw/zinc/56/86/81/1382568681.db2.gz MEHRZUKPBHFYCK-XJDXJNMNSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001161952953 1382568685 /nfs/dbraw/zinc/56/86/85/1382568685.db2.gz MEHRZUKPBHFYCK-XJDXJNMNSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001161952953 1382568690 /nfs/dbraw/zinc/56/86/90/1382568690.db2.gz MEHRZUKPBHFYCK-XJDXJNMNSA-N 2 1 347.547 3.356 20 0 EGADMP [NH3+][C@H]1CCC[C@@H](Nc2cc(NC(=O)Nc3ccccc3)cc[nH+]2)C1 ZINC001162390244 1382745071 /nfs/dbraw/zinc/74/50/71/1382745071.db2.gz CYZUCRHNDKWVQJ-DZGCQCFKSA-N 2 1 325.416 3.407 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H](Nc2cc(NC(=O)Nc3ccccc3)cc[nH+]2)C1 ZINC001162390246 1382745137 /nfs/dbraw/zinc/74/51/37/1382745137.db2.gz CYZUCRHNDKWVQJ-UKRRQHHQSA-N 2 1 325.416 3.407 20 0 EGADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC001162459402 1382762484 /nfs/dbraw/zinc/76/24/84/1382762484.db2.gz DOYTUIBJZXABBU-CVEARBPZSA-N 2 1 337.471 3.044 20 0 EGADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc[nH+]c2ccc(Br)cc12 ZINC001162468441 1382766570 /nfs/dbraw/zinc/76/65/70/1382766570.db2.gz YTCNOEIQGDKPHA-OLZOCXBDSA-N 2 1 348.288 3.467 20 0 EGADMP Cn1cc(CNc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c2ccccc21 ZINC001162831353 1382889905 /nfs/dbraw/zinc/88/99/05/1382889905.db2.gz PRCDSPVWHSEXDL-UHFFFAOYSA-N 2 1 331.423 3.125 20 0 EGADMP C/C=C(\NC=[NH2+])NC1(C)C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001162853817 1382896255 /nfs/dbraw/zinc/89/62/55/1382896255.db2.gz HQTZLWWZOXJDGP-QBROUFQSSA-N 2 1 334.467 3.498 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CC[NH2+]CCC(C)C)CCc1ccccc1 ZINC001162987753 1382939176 /nfs/dbraw/zinc/93/91/76/1382939176.db2.gz XBEVYEZPAZNSNC-UHFFFAOYSA-N 2 1 347.547 3.035 20 0 EGADMP C[N@@H+](CCC(=O)NCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCC1 ZINC001163275127 1383010904 /nfs/dbraw/zinc/01/09/04/1383010904.db2.gz QTDMQQOIGYKMLX-QRVBRYPASA-N 2 1 349.563 3.173 20 0 EGADMP C[NH+](C)C1(CNc2ccc(F)c(C(F)(F)F)c2)CC[NH+](C)CC1 ZINC001164210328 1383166228 /nfs/dbraw/zinc/16/62/28/1383166228.db2.gz BKTMWNINLKZGOU-UHFFFAOYSA-N 2 1 333.373 3.282 20 0 EGADMP C[NH+](C)C1(CNc2ccc(-c3cccs3)nc2)CC[NH+](C)CC1 ZINC001164216418 1383166978 /nfs/dbraw/zinc/16/69/78/1383166978.db2.gz ACVKAYJXORDMCM-UHFFFAOYSA-N 2 1 330.501 3.248 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]CCCC2CCCC2)C1 ZINC001164449584 1383188002 /nfs/dbraw/zinc/18/80/02/1383188002.db2.gz MUVLRKMGSIXPEC-IBGZPJMESA-N 2 1 337.552 3.175 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC2(C[NH2+]CCCC(C)C)CC2)CC[N@H+]1C ZINC001164583390 1383201991 /nfs/dbraw/zinc/20/19/91/1383201991.db2.gz YGQUEFALGCIRKS-ZWKOTPCHSA-N 2 1 337.552 3.029 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CCN(c2nccc3ccccc32)CC1 ZINC001165108634 1383230123 /nfs/dbraw/zinc/23/01/23/1383230123.db2.gz OGDMTALCPXQSEO-SFHVURJKSA-N 2 1 325.456 3.314 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCCC2(C[NH2+]CC3CCCC3)CC2)C1 ZINC001165471787 1383300253 /nfs/dbraw/zinc/30/02/53/1383300253.db2.gz AIWIOECCASKJJI-IBGZPJMESA-N 2 1 349.563 3.031 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165927297 1383366298 /nfs/dbraw/zinc/36/62/98/1383366298.db2.gz ZRZWADPUKQKOPV-VOFKWLDRSA-N 2 1 349.563 3.339 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001167225761 1383571126 /nfs/dbraw/zinc/57/11/26/1383571126.db2.gz ZVRTYYFCSMSMRJ-SFHVURJKSA-N 2 1 349.563 3.317 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NCCC2(C[NH2+]CCCC3CCC3)CC2)C1 ZINC001167240752 1383573403 /nfs/dbraw/zinc/57/34/03/1383573403.db2.gz RIXSIVNVHARVCD-UHFFFAOYSA-N 2 1 349.563 3.175 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CC2CCC2)CC1 ZINC001167471019 1383643264 /nfs/dbraw/zinc/64/32/64/1383643264.db2.gz POKCBLPAEJLGPL-UHFFFAOYSA-N 2 1 337.552 3.175 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001167475427 1383644637 /nfs/dbraw/zinc/64/46/37/1383644637.db2.gz DXGOSCCBYIDQKE-HNNXBMFYSA-N 2 1 346.450 3.003 20 0 EGADMP Cc1cc(C)cc(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001167627924 1383693316 /nfs/dbraw/zinc/69/33/16/1383693316.db2.gz UYNUWMQCVGBIMF-HXUWFJFHSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001167634205 1383693961 /nfs/dbraw/zinc/69/39/61/1383693961.db2.gz GKHIDZBRNHLCKH-QFBILLFUSA-N 2 1 349.494 3.246 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCCC2(C[NH2+]CCCC(C)(C)C)CC2)C1 ZINC001167737209 1383725792 /nfs/dbraw/zinc/72/57/92/1383725792.db2.gz OOSIHNRBHWRPEK-KRWDZBQOSA-N 2 1 337.552 3.031 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001167823774 1383749406 /nfs/dbraw/zinc/74/94/06/1383749406.db2.gz FICNHHTXSPIYQF-YSIASYRMSA-N 2 1 338.536 3.157 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 ZINC001167827026 1383750739 /nfs/dbraw/zinc/75/07/39/1383750739.db2.gz ROQLYGSNYZBHBS-RYRKJORJSA-N 2 1 349.544 3.153 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](Oc2cccc(OC)n2)C1 ZINC001167833765 1383753439 /nfs/dbraw/zinc/75/34/39/1383753439.db2.gz DRBQENJRQAHYQG-IRXDYDNUSA-N 2 1 335.492 3.054 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](Oc2ccc(OC)cn2)C1 ZINC001167835558 1383753962 /nfs/dbraw/zinc/75/39/62/1383753962.db2.gz RHHVYZRVNRUCBS-FUHWJXTLSA-N 2 1 335.492 3.054 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001167835662 1383754070 /nfs/dbraw/zinc/75/40/70/1383754070.db2.gz KSTSUPJBSGNZTN-MRXNPFEDSA-N 2 1 349.494 3.105 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001167836353 1383755045 /nfs/dbraw/zinc/75/50/45/1383755045.db2.gz VPMQFLNYJBOVIS-GOSISDBHSA-N 2 1 345.531 3.274 20 0 EGADMP COc1c(C)c(C)c(Br)c(NC(=[NH2+])SCC[NH3+])c1C ZINC001167912970 1383768693 /nfs/dbraw/zinc/76/86/93/1383768693.db2.gz UHNKZSFRTJTSFN-UHFFFAOYSA-N 2 1 346.294 3.422 20 0 EGADMP CCOC(=O)[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167967519 1383781062 /nfs/dbraw/zinc/78/10/62/1383781062.db2.gz GMZRLXVUFHZKRU-NTAHMENRSA-N 2 1 348.531 3.351 20 0 EGADMP C[C@H](C[NH3+])CN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167974277 1383783378 /nfs/dbraw/zinc/78/33/78/1383783378.db2.gz TZZMQVKUQPQCEE-JIMIUWDKSA-N 2 1 341.543 3.489 20 0 EGADMP CCCOc1cccnc1C(=[NH2+])NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167979254 1383785190 /nfs/dbraw/zinc/78/51/90/1383785190.db2.gz YLCUBVXKTXRKCI-ALOPSCKCSA-N 2 1 342.487 3.191 20 0 EGADMP CCCOc1cccnc1C(=[NH2+])NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167979254 1383785195 /nfs/dbraw/zinc/78/51/95/1383785195.db2.gz YLCUBVXKTXRKCI-ALOPSCKCSA-N 2 1 342.487 3.191 20 0 EGADMP CCC(=O)N(CC)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168001510 1383792809 /nfs/dbraw/zinc/79/28/09/1383792809.db2.gz CJONLYFZCIRWSJ-YOFSQIOKSA-N 2 1 347.547 3.115 20 0 EGADMP F[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@H]1[NH+]1CCCCC1 ZINC001168004901 1383794399 /nfs/dbraw/zinc/79/43/99/1383794399.db2.gz BMVDBHIVESGGMM-SPYJTGKRSA-N 2 1 349.538 3.290 20 0 EGADMP C[C@@H]1C[C@@H](N(CC[NH3+])c2ccccn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168017407 1383797537 /nfs/dbraw/zinc/79/75/37/1383797537.db2.gz AIDHYNZDNIQIOA-OPVJXMOQSA-N 2 1 338.499 3.288 20 0 EGADMP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001168029139 1383800448 /nfs/dbraw/zinc/80/04/48/1383800448.db2.gz CRUOMZQDMSHCAW-OALUTQOASA-N 2 1 349.563 3.316 20 0 EGADMP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+]([C@@H]1CCO[C@@H](C)C1)CC2 ZINC001168113765 1383820296 /nfs/dbraw/zinc/82/02/96/1383820296.db2.gz HUJQZVXIIRFUSZ-MAUKXSAKSA-N 2 1 347.503 3.289 20 0 EGADMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+]([C@@H]1CCO[C@@H](C)C1)CC2 ZINC001168113765 1383820299 /nfs/dbraw/zinc/82/02/99/1383820299.db2.gz HUJQZVXIIRFUSZ-MAUKXSAKSA-N 2 1 347.503 3.289 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001168224057 1383847312 /nfs/dbraw/zinc/84/73/12/1383847312.db2.gz JVPWVKUAKDSCFE-OAQYLSRUSA-N 2 1 336.479 3.417 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001168224053 1383847623 /nfs/dbraw/zinc/84/76/23/1383847623.db2.gz JVPWVKUAKDSCFE-NRFANRHFSA-N 2 1 336.479 3.417 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(c3[nH+]cccc3C)CC1)C2 ZINC001168246128 1383852936 /nfs/dbraw/zinc/85/29/36/1383852936.db2.gz FSMOYNJLXOJROY-IBGZPJMESA-N 2 1 337.467 3.124 20 0 EGADMP CC(C)[C@](O)(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC001168265982 1383856541 /nfs/dbraw/zinc/85/65/41/1383856541.db2.gz ZEQDOVCRPHNVHE-VLCRHTCISA-N 2 1 342.527 3.479 20 0 EGADMP CC(C)[C@](O)(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC001168265982 1383856544 /nfs/dbraw/zinc/85/65/44/1383856544.db2.gz ZEQDOVCRPHNVHE-VLCRHTCISA-N 2 1 342.527 3.479 20 0 EGADMP CC(C)[C@](O)(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC001168265982 1383856547 /nfs/dbraw/zinc/85/65/47/1383856547.db2.gz ZEQDOVCRPHNVHE-VLCRHTCISA-N 2 1 342.527 3.479 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(CCn4c(C)c[nH+]c43)CC1)C2 ZINC001168271648 1383859618 /nfs/dbraw/zinc/85/96/18/1383859618.db2.gz HSYHIVSWGMAVHG-GOSISDBHSA-N 2 1 337.467 3.105 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001168324598 1383873239 /nfs/dbraw/zinc/87/32/39/1383873239.db2.gz QVBRYGDTWNWUMJ-FHZKDXSVSA-N 2 1 336.520 3.301 20 0 EGADMP Fc1ccccc1C1([NH2+]C2CC[NH+](CC3CC3)CC2)CCOCC1 ZINC001168366136 1383884034 /nfs/dbraw/zinc/88/40/34/1383884034.db2.gz KWZYGGNMQQHXDQ-UHFFFAOYSA-N 2 1 332.463 3.295 20 0 EGADMP CCCc1noc([C@@H]2CCC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)n1 ZINC001168387536 1383892125 /nfs/dbraw/zinc/89/21/25/1383892125.db2.gz JDUMWPNIWDVDRA-MRXNPFEDSA-N 2 1 332.492 3.076 20 0 EGADMP CCCc1noc([C@@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)n1 ZINC001168387536 1383892126 /nfs/dbraw/zinc/89/21/26/1383892126.db2.gz JDUMWPNIWDVDRA-MRXNPFEDSA-N 2 1 332.492 3.076 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CCN(C4CC[NH+](CC5CC5)CC4)[C@H]3C2)cc1 ZINC001168394801 1383895034 /nfs/dbraw/zinc/89/50/34/1383895034.db2.gz HQBJPJAHTYYDDS-IRLDBZIGSA-N 2 1 339.527 3.067 20 0 EGADMP c1ccc(CN2C[C@H]3CC[N@@H+](C4CC[NH+](CC5CC5)CC4)[C@H]3C2)cc1 ZINC001168394801 1383895038 /nfs/dbraw/zinc/89/50/38/1383895038.db2.gz HQBJPJAHTYYDDS-IRLDBZIGSA-N 2 1 339.527 3.067 20 0 EGADMP c1ccc(CN2C[C@H]3CC[N@H+](C4CC[NH+](CC5CC5)CC4)[C@H]3C2)cc1 ZINC001168394801 1383895042 /nfs/dbraw/zinc/89/50/42/1383895042.db2.gz HQBJPJAHTYYDDS-IRLDBZIGSA-N 2 1 339.527 3.067 20 0 EGADMP CC[NH+](CC)CC[C@H](C)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC001306909388 1383919396 /nfs/dbraw/zinc/91/93/96/1383919396.db2.gz KETJNIQELYPPAO-PXNSSMCTSA-N 2 1 345.531 3.346 20 0 EGADMP CC[NH+](CC)Cc1c(Br)cccc1NC1(CC)C[NH2+]C1 ZINC001168586929 1383942782 /nfs/dbraw/zinc/94/27/82/1383942782.db2.gz NUULUCXCLBCDEP-UHFFFAOYSA-N 2 1 340.309 3.455 20 0 EGADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CCCC[C@@H]3[NH+](C)C)CCO2)cc1 ZINC001168592981 1383943730 /nfs/dbraw/zinc/94/37/30/1383943730.db2.gz BMVXDICXPWMCBL-BTHPGYMESA-N 2 1 332.488 3.378 20 0 EGADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCO[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001168662981 1383962637 /nfs/dbraw/zinc/96/26/37/1383962637.db2.gz QVDXVFSXQDMSGT-QUCCMNQESA-N 2 1 332.488 3.331 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCO[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001168662981 1383962638 /nfs/dbraw/zinc/96/26/38/1383962638.db2.gz QVDXVFSXQDMSGT-QUCCMNQESA-N 2 1 332.488 3.331 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)CN1C(=O)OC(C)(C)C ZINC001168805388 1384012359 /nfs/dbraw/zinc/01/23/59/1384012359.db2.gz HBZKPAYETVSZBC-NVXWUHKLSA-N 2 1 339.524 3.368 20 0 EGADMP CCCCN(C[C@H](O)C[N@@H+](C)C(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001307966342 1384064681 /nfs/dbraw/zinc/06/46/81/1384064681.db2.gz HGNKBAKCYYNDFJ-GOSISDBHSA-N 2 1 341.584 3.099 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccccc3)CCOCC1)C2 ZINC001169109525 1384108887 /nfs/dbraw/zinc/10/88/87/1384108887.db2.gz CQCFHGOXVVTHRF-ACDBMABISA-N 2 1 328.500 3.241 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129938 1384110893 /nfs/dbraw/zinc/11/08/93/1384110893.db2.gz MGMWMQWUGJWBJV-XLSPSMHOSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129938 1384110894 /nfs/dbraw/zinc/11/08/94/1384110894.db2.gz MGMWMQWUGJWBJV-XLSPSMHOSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@]3(CCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169129938 1384110896 /nfs/dbraw/zinc/11/08/96/1384110896.db2.gz MGMWMQWUGJWBJV-XLSPSMHOSA-N 2 1 349.519 3.087 20 0 EGADMP COc1cccc(OCC2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001169152685 1384115479 /nfs/dbraw/zinc/11/54/79/1384115479.db2.gz DHASMJLHTOWKRQ-REPLKXPHSA-N 2 1 344.499 3.411 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H](c2ccccc2)C1 ZINC001169155102 1384116452 /nfs/dbraw/zinc/11/64/52/1384116452.db2.gz YBZJYFMPYQVUQD-SLHNCBLASA-N 2 1 342.483 3.238 20 0 EGADMP COC(=O)[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H](c2ccccc2)C1 ZINC001169155102 1384116454 /nfs/dbraw/zinc/11/64/54/1384116454.db2.gz YBZJYFMPYQVUQD-SLHNCBLASA-N 2 1 342.483 3.238 20 0 EGADMP COC(=O)[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H](c2ccccc2)C1 ZINC001169155102 1384116455 /nfs/dbraw/zinc/11/64/55/1384116455.db2.gz YBZJYFMPYQVUQD-SLHNCBLASA-N 2 1 342.483 3.238 20 0 EGADMP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc(Cl)c1OC ZINC001308291866 1384117182 /nfs/dbraw/zinc/11/71/82/1384117182.db2.gz FSNPGUPIZXLSEI-UONOGXRCSA-N 2 1 326.868 3.320 20 0 EGADMP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cc[nH+]c2c1ccn2C ZINC001169179617 1384119831 /nfs/dbraw/zinc/11/98/31/1384119831.db2.gz MXMAURKWPXYQNX-UHFFFAOYSA-N 2 1 334.423 3.335 20 0 EGADMP CC[NH+]1CCC(N2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169268123 1384130294 /nfs/dbraw/zinc/13/02/94/1384130294.db2.gz GXORQVDUSYFIMC-NHCUHLMSSA-N 2 1 341.543 3.315 20 0 EGADMP CCN1CCC([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169268123 1384130295 /nfs/dbraw/zinc/13/02/95/1384130295.db2.gz GXORQVDUSYFIMC-NHCUHLMSSA-N 2 1 341.543 3.315 20 0 EGADMP CCN1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169268123 1384130296 /nfs/dbraw/zinc/13/02/96/1384130296.db2.gz GXORQVDUSYFIMC-NHCUHLMSSA-N 2 1 341.543 3.315 20 0 EGADMP CCN1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169268123 1384130297 /nfs/dbraw/zinc/13/02/97/1384130297.db2.gz GXORQVDUSYFIMC-NHCUHLMSSA-N 2 1 341.543 3.315 20 0 EGADMP CCN1CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169268123 1384130298 /nfs/dbraw/zinc/13/02/98/1384130298.db2.gz GXORQVDUSYFIMC-NHCUHLMSSA-N 2 1 341.543 3.315 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+]C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001169273869 1384130748 /nfs/dbraw/zinc/13/07/48/1384130748.db2.gz ZBTXXDGDOPZKGQ-LMDPOFIKSA-N 2 1 330.472 3.229 20 0 EGADMP Cc1cc(N[C@@H]2CCC[N@@H+](C)C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001308685127 1384142231 /nfs/dbraw/zinc/14/22/31/1384142231.db2.gz KUQLTVCONFQRLB-GOSISDBHSA-N 2 1 330.520 3.032 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001169733727 1384180491 /nfs/dbraw/zinc/18/04/91/1384180491.db2.gz OFPDYQONSWQNIX-QGZVFWFLSA-N 2 1 341.540 3.345 20 0 EGADMP Cc1cc(C)cc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001169798913 1384187311 /nfs/dbraw/zinc/18/73/11/1384187311.db2.gz SPKVIAZWCVFQCD-ICSRJNTNSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169809734 1384187653 /nfs/dbraw/zinc/18/76/53/1384187653.db2.gz JVOPMDPJJFQKML-HKUYNNGSSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169808734 1384187864 /nfs/dbraw/zinc/18/78/64/1384187864.db2.gz DLBCNIACSXGYCX-IEBWSBKVSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC2(C1)OCCO2 ZINC001169954461 1384204021 /nfs/dbraw/zinc/20/40/21/1384204021.db2.gz ATHSEHIHDZFEGU-PMACEKPBSA-N 2 1 344.499 3.126 20 0 EGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC2(C1)OCCO2 ZINC001169954461 1384204025 /nfs/dbraw/zinc/20/40/25/1384204025.db2.gz ATHSEHIHDZFEGU-PMACEKPBSA-N 2 1 344.499 3.126 20 0 EGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC2(C1)OCCO2 ZINC001169954461 1384204028 /nfs/dbraw/zinc/20/40/28/1384204028.db2.gz ATHSEHIHDZFEGU-PMACEKPBSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)CC(Nc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)CC(C)(C)O1 ZINC001170361328 1384301190 /nfs/dbraw/zinc/30/11/90/1384301190.db2.gz KYAJJHAZKGGZIT-UHFFFAOYSA-N 2 1 328.460 3.169 20 0 EGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+](CC[NH3+])Cc1ccccc1 ZINC001170409431 1384310828 /nfs/dbraw/zinc/31/08/28/1384310828.db2.gz BTJWOZXOTKHFCB-GOSISDBHSA-N 2 1 326.440 3.197 20 0 EGADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001170409431 1384310832 /nfs/dbraw/zinc/31/08/32/1384310832.db2.gz BTJWOZXOTKHFCB-GOSISDBHSA-N 2 1 326.440 3.197 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001170559496 1384342002 /nfs/dbraw/zinc/34/20/02/1384342002.db2.gz ACYMLJZNDLSUOR-WOJBJXKFSA-N 2 1 344.499 3.172 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC001170784157 1384384652 /nfs/dbraw/zinc/38/46/52/1384384652.db2.gz FNLQOUASTADORL-AZUAARDMSA-N 2 1 345.531 3.498 20 0 EGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+]([C@@H]1CCCOCC1)CC2 ZINC001170821989 1384392163 /nfs/dbraw/zinc/39/21/63/1384392163.db2.gz QPCKGHIOTCXEQI-LJQANCHMSA-N 2 1 343.515 3.327 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170863385 1384400810 /nfs/dbraw/zinc/40/08/10/1384400810.db2.gz WHQNXNPKFBWOMO-NCPJDUFYSA-N 2 1 337.552 3.338 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170864068 1384400861 /nfs/dbraw/zinc/40/08/61/1384400861.db2.gz ZYSBWXBULRVXDR-YQVWRLOYSA-N 2 1 335.536 3.092 20 0 EGADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170968254 1384419932 /nfs/dbraw/zinc/41/99/32/1384419932.db2.gz CGPHFWGMKYBROV-INIZCTEOSA-N 3 1 335.511 3.158 20 0 EGADMP Nc1cc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)[nH+]cc1C(F)(F)F ZINC001171091508 1384444101 /nfs/dbraw/zinc/44/41/01/1384444101.db2.gz SDVGEYZIUJMGNW-SNVBAGLBSA-N 2 1 346.356 3.443 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H](C)CCCC[NH2+]CC1CCC1 ZINC001171248315 1384478164 /nfs/dbraw/zinc/47/81/64/1384478164.db2.gz SERGLIOLNYEUQC-MJGOQNOKSA-N 2 1 337.552 3.314 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001171261583 1384481496 /nfs/dbraw/zinc/48/14/96/1384481496.db2.gz VTEPQRLZMIILOF-SFHVURJKSA-N 2 1 345.531 3.244 20 0 EGADMP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](CNC(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001316630838 1384493816 /nfs/dbraw/zinc/49/38/16/1384493816.db2.gz ZGZJEPJAQVHGBH-VJANTYMQSA-N 2 1 349.563 3.172 20 0 EGADMP COC(=O)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001335764560 1388926680 /nfs/dbraw/zinc/92/66/80/1388926680.db2.gz OBCOFAGIXNOCJJ-DODZYUBVSA-N 2 1 336.520 3.208 20 0 EGADMP COC1CC[NH+](C2CC[NH+]([C@@H]3CCc4c(F)cccc4C3)CC2)CC1 ZINC001171441547 1384524840 /nfs/dbraw/zinc/52/48/40/1384524840.db2.gz MJURPAHSILGIBR-GOSISDBHSA-N 2 1 346.490 3.258 20 0 EGADMP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171537538 1384555762 /nfs/dbraw/zinc/55/57/62/1384555762.db2.gz DSKVHJFYMFSIJH-UYAOXDASSA-N 2 1 345.531 3.244 20 0 EGADMP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCc3ccccc3NC2=O)CC1(C)C ZINC001171624001 1384583308 /nfs/dbraw/zinc/58/33/08/1384583308.db2.gz KSIPBLTVOFYXNL-QGZVFWFLSA-N 2 1 329.488 3.181 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CCCC[C@H]2C(=O)N2CCCC2)CC1(C)C ZINC001171637908 1384587737 /nfs/dbraw/zinc/58/77/37/1384587737.db2.gz SAOZFINNSHUCCM-KRWDZBQOSA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001171646292 1384591241 /nfs/dbraw/zinc/59/12/41/1384591241.db2.gz LDFWKAPWVXMVMB-ZWKOTPCHSA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)[N@H+]1CC[C@H](N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744837 1384623683 /nfs/dbraw/zinc/62/36/83/1384623683.db2.gz IHMJFDJTSGTUAS-UKAVVXHISA-N 2 1 329.532 3.358 20 0 EGADMP CC(C)[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744837 1384623684 /nfs/dbraw/zinc/62/36/84/1384623684.db2.gz IHMJFDJTSGTUAS-UKAVVXHISA-N 2 1 329.532 3.358 20 0 EGADMP CC(C)[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744837 1384623687 /nfs/dbraw/zinc/62/36/87/1384623687.db2.gz IHMJFDJTSGTUAS-UKAVVXHISA-N 2 1 329.532 3.358 20 0 EGADMP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744837 1384623689 /nfs/dbraw/zinc/62/36/89/1384623689.db2.gz IHMJFDJTSGTUAS-UKAVVXHISA-N 2 1 329.532 3.358 20 0 EGADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC001171744837 1384623691 /nfs/dbraw/zinc/62/36/91/1384623691.db2.gz IHMJFDJTSGTUAS-UKAVVXHISA-N 2 1 329.532 3.358 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC001171763206 1384628474 /nfs/dbraw/zinc/62/84/74/1384628474.db2.gz VLQFTZQKGLQGLJ-QGZVFWFLSA-N 2 1 339.911 3.229 20 0 EGADMP C[C@H]1C[C@H](N2CC[NH+](C)CC23CCCC3)C[N@H+]1Cc1ccccc1 ZINC001171767544 1384629968 /nfs/dbraw/zinc/62/99/68/1384629968.db2.gz PAUDEAYFKGRAQD-ICSRJNTNSA-N 2 1 327.516 3.210 20 0 EGADMP C[C@H]1C[C@H](N2CC[N@H+](C)CC23CCCC3)C[NH+]1Cc1ccccc1 ZINC001171767544 1384629970 /nfs/dbraw/zinc/62/99/70/1384629970.db2.gz PAUDEAYFKGRAQD-ICSRJNTNSA-N 2 1 327.516 3.210 20 0 EGADMP C[C@H]1C[C@H](N2CC[N@@H+](C)CC23CCCC3)C[NH+]1Cc1ccccc1 ZINC001171767544 1384629973 /nfs/dbraw/zinc/62/99/73/1384629973.db2.gz PAUDEAYFKGRAQD-ICSRJNTNSA-N 2 1 327.516 3.210 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001171770379 1384631204 /nfs/dbraw/zinc/63/12/04/1384631204.db2.gz PHHYHTKFXCEVGL-KRWDZBQOSA-N 2 1 341.499 3.339 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCCC[NH2+]CCCC1CCCC1 ZINC001171816132 1384648721 /nfs/dbraw/zinc/64/87/21/1384648721.db2.gz CULMQCCDWQKUMR-QGZVFWFLSA-N 2 1 348.535 3.427 20 0 EGADMP CC1(C)C[C@H](NCC(=O)NC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171965840 1384697696 /nfs/dbraw/zinc/69/76/96/1384697696.db2.gz JOUKOTXCWVMXLJ-LJQANCHMSA-N 2 1 343.515 3.078 20 0 EGADMP CC1(C)C[C@H]([NH2+]CC(=O)NC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171965840 1384697699 /nfs/dbraw/zinc/69/76/99/1384697699.db2.gz JOUKOTXCWVMXLJ-LJQANCHMSA-N 2 1 343.515 3.078 20 0 EGADMP CC1(C)C[C@H]([NH2+]CC(=O)NC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171965840 1384697702 /nfs/dbraw/zinc/69/77/02/1384697702.db2.gz JOUKOTXCWVMXLJ-LJQANCHMSA-N 2 1 343.515 3.078 20 0 EGADMP CC(=O)NCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974521 1384701092 /nfs/dbraw/zinc/70/10/92/1384701092.db2.gz HLVVMGSTHIFMMO-FQEVSTJZSA-N 2 1 345.531 3.326 20 0 EGADMP CC1(C)C[C@H]([NH2+]Cc2cnn(CCF)c2)CC[N@@H+]1Cc1ccccc1 ZINC001171977874 1384701818 /nfs/dbraw/zinc/70/18/18/1384701818.db2.gz HOJCTYSOGNETBT-LJQANCHMSA-N 2 1 344.478 3.385 20 0 EGADMP CC1(C)C[C@H]([NH2+]Cc2cnn(CCF)c2)CC[N@H+]1Cc1ccccc1 ZINC001171977874 1384701820 /nfs/dbraw/zinc/70/18/20/1384701820.db2.gz HOJCTYSOGNETBT-LJQANCHMSA-N 2 1 344.478 3.385 20 0 EGADMP CC1(C)C[C@H]([NH+]2CC[C@@H](O)[C@H](F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977902 1384702035 /nfs/dbraw/zinc/70/20/35/1384702035.db2.gz USGRJQYOTPEMQY-GUDVDZBRSA-N 2 1 334.479 3.224 20 0 EGADMP CC1(C)C[C@H]([N@@H+]2CC[C@@H](O)[C@H](F)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977902 1384702036 /nfs/dbraw/zinc/70/20/36/1384702036.db2.gz USGRJQYOTPEMQY-GUDVDZBRSA-N 2 1 334.479 3.224 20 0 EGADMP CC1(C)C[C@H]([N@H+]2CC[C@@H](O)[C@H](F)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977902 1384702038 /nfs/dbraw/zinc/70/20/38/1384702038.db2.gz USGRJQYOTPEMQY-GUDVDZBRSA-N 2 1 334.479 3.224 20 0 EGADMP CC1(C)C[C@@H](N2CC[NH+](CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171984251 1384703158 /nfs/dbraw/zinc/70/31/58/1384703158.db2.gz JSBCQIVBVAKWQI-NRFANRHFSA-N 2 1 341.543 3.457 20 0 EGADMP CSCC[C@@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061672 1384715352 /nfs/dbraw/zinc/71/53/52/1384715352.db2.gz IJFBKUAJLMJWPM-HAGHYFMRSA-N 2 1 348.556 3.276 20 0 EGADMP OCC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC001172065163 1384716775 /nfs/dbraw/zinc/71/67/75/1384716775.db2.gz LYPONTDZMDUFSQ-ACDBMABISA-N 2 1 328.500 3.467 20 0 EGADMP CN([C@@H]1CC[N@@H+](C)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074547 1384719239 /nfs/dbraw/zinc/71/92/39/1384719239.db2.gz JEIPQTZRCGRNPM-MHTWAQMVSA-N 2 1 327.516 3.208 20 0 EGADMP CN([C@@H]1CC[NH+](C)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074547 1384719242 /nfs/dbraw/zinc/71/92/42/1384719242.db2.gz JEIPQTZRCGRNPM-MHTWAQMVSA-N 2 1 327.516 3.208 20 0 EGADMP CN([C@@H]1CC[NH+](C)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074547 1384719245 /nfs/dbraw/zinc/71/92/45/1384719245.db2.gz JEIPQTZRCGRNPM-MHTWAQMVSA-N 2 1 327.516 3.208 20 0 EGADMP COC(=O)CC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076908 1384720620 /nfs/dbraw/zinc/72/06/20/1384720620.db2.gz AYNHBIRSLUBGEC-REPLKXPHSA-N 2 1 330.472 3.067 20 0 EGADMP COC(=O)CC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076908 1384720623 /nfs/dbraw/zinc/72/06/23/1384720623.db2.gz AYNHBIRSLUBGEC-REPLKXPHSA-N 2 1 330.472 3.067 20 0 EGADMP [NH3+][C@H]1CCC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172078040 1384721725 /nfs/dbraw/zinc/72/17/25/1384721725.db2.gz XBBRXTYPXBQCRM-FCMAGTKHSA-N 2 1 327.516 3.432 20 0 EGADMP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172078040 1384721728 /nfs/dbraw/zinc/72/17/28/1384721728.db2.gz XBBRXTYPXBQCRM-FCMAGTKHSA-N 3 1 327.516 3.432 20 0 EGADMP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172078040 1384721733 /nfs/dbraw/zinc/72/17/33/1384721733.db2.gz XBBRXTYPXBQCRM-FCMAGTKHSA-N 3 1 327.516 3.432 20 0 EGADMP CC[N@H+](CCC(=O)OC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172088560 1384724578 /nfs/dbraw/zinc/72/45/78/1384724578.db2.gz NEFQOCVJPOMTOF-ACDBMABISA-N 2 1 344.499 3.457 20 0 EGADMP CC[N@@H+](CCC(=O)OC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172088560 1384724585 /nfs/dbraw/zinc/72/45/85/1384724585.db2.gz NEFQOCVJPOMTOF-ACDBMABISA-N 2 1 344.499 3.457 20 0 EGADMP CC[NH+](CCC(=O)OC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172088560 1384724587 /nfs/dbraw/zinc/72/45/87/1384724587.db2.gz NEFQOCVJPOMTOF-ACDBMABISA-N 2 1 344.499 3.457 20 0 EGADMP CC[NH+](CCC(=O)OC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172088560 1384724596 /nfs/dbraw/zinc/72/45/96/1384724596.db2.gz NEFQOCVJPOMTOF-ACDBMABISA-N 2 1 344.499 3.457 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCC1CCN(C(=O)C(C)(C)C)CC1)C2 ZINC001172105943 1384727820 /nfs/dbraw/zinc/72/78/20/1384727820.db2.gz LMHWJXBCWNAGGC-LDLYASANSA-N 2 1 349.563 3.266 20 0 EGADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109622 1384730165 /nfs/dbraw/zinc/73/01/65/1384730165.db2.gz HXKRPQJJJUDBHD-WARAAXDBSA-N 2 1 342.531 3.169 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109622 1384730168 /nfs/dbraw/zinc/73/01/68/1384730168.db2.gz HXKRPQJJJUDBHD-WARAAXDBSA-N 3 1 342.531 3.169 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109622 1384730170 /nfs/dbraw/zinc/73/01/70/1384730170.db2.gz HXKRPQJJJUDBHD-WARAAXDBSA-N 3 1 342.531 3.169 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109622 1384730172 /nfs/dbraw/zinc/73/01/72/1384730172.db2.gz HXKRPQJJJUDBHD-WARAAXDBSA-N 3 1 342.531 3.169 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109622 1384730175 /nfs/dbraw/zinc/73/01/75/1384730175.db2.gz HXKRPQJJJUDBHD-WARAAXDBSA-N 3 1 342.531 3.169 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ccc(Br)cc1C[NH3+])C2 ZINC001172112676 1384730983 /nfs/dbraw/zinc/73/09/83/1384730983.db2.gz ZBHDUQNJDIKEQY-QKDCVEJESA-N 2 1 338.293 3.335 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(O)(Cc3ccccc3)CC1)C2 ZINC001172109577 1384730330 /nfs/dbraw/zinc/73/03/30/1384730330.db2.gz DWSBIRIDAHFQAI-ACDBMABISA-N 2 1 328.500 3.071 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(O)(Cc3ccccc3)CC1)C2 ZINC001172109577 1384730331 /nfs/dbraw/zinc/73/03/31/1384730331.db2.gz DWSBIRIDAHFQAI-ACDBMABISA-N 2 1 328.500 3.071 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]31)C2 ZINC001172118044 1384732868 /nfs/dbraw/zinc/73/28/68/1384732868.db2.gz UFPROLXCRUVMBK-KXXIFBCNSA-N 2 1 348.531 3.050 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]31)C2 ZINC001172118044 1384732875 /nfs/dbraw/zinc/73/28/75/1384732875.db2.gz UFPROLXCRUVMBK-KXXIFBCNSA-N 2 1 348.531 3.050 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]31)C2 ZINC001172118044 1384732876 /nfs/dbraw/zinc/73/28/76/1384732876.db2.gz UFPROLXCRUVMBK-KXXIFBCNSA-N 2 1 348.531 3.050 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(F)cc3F)CC1)C2 ZINC001172126636 1384736818 /nfs/dbraw/zinc/73/68/18/1384736818.db2.gz XGQQECXSANHCQX-FVQHAEBGSA-N 2 1 335.442 3.102 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(F)cc3F)CC1)C2 ZINC001172126636 1384736820 /nfs/dbraw/zinc/73/68/20/1384736820.db2.gz XGQQECXSANHCQX-FVQHAEBGSA-N 2 1 335.442 3.102 20 0 EGADMP Cc1cccc(OC2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC001172129546 1384737499 /nfs/dbraw/zinc/73/74/99/1384737499.db2.gz CIQWZFTZNQIYLG-PIIMJCKOSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1cccc(OC2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC001172129546 1384737502 /nfs/dbraw/zinc/73/75/02/1384737502.db2.gz CIQWZFTZNQIYLG-PIIMJCKOSA-N 2 1 329.488 3.249 20 0 EGADMP COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129933 1384738025 /nfs/dbraw/zinc/73/80/25/1384738025.db2.gz MFQKEOPNGWADAK-LMCOJAPRSA-N 2 1 344.499 3.456 20 0 EGADMP COC(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129933 1384738027 /nfs/dbraw/zinc/73/80/27/1384738027.db2.gz MFQKEOPNGWADAK-LMCOJAPRSA-N 2 1 344.499 3.456 20 0 EGADMP COC(=O)C[C@@H](C)[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129933 1384738031 /nfs/dbraw/zinc/73/80/31/1384738031.db2.gz MFQKEOPNGWADAK-LMCOJAPRSA-N 2 1 344.499 3.456 20 0 EGADMP COC(=O)C[C@@H](C)[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129933 1384738032 /nfs/dbraw/zinc/73/80/32/1384738032.db2.gz MFQKEOPNGWADAK-LMCOJAPRSA-N 2 1 344.499 3.456 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC001172248594 1384756251 /nfs/dbraw/zinc/75/62/51/1384756251.db2.gz BZMGSSPRRXTNBW-IBGZPJMESA-N 2 1 338.442 3.433 20 0 EGADMP CC[C@H](C)OCC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001172318528 1384769225 /nfs/dbraw/zinc/76/92/25/1384769225.db2.gz JPROOAQOQHVJQI-ROUUACIJSA-N 2 1 334.504 3.202 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCN(C)CC2)C[C@@H]1C ZINC001172357349 1384777107 /nfs/dbraw/zinc/77/71/07/1384777107.db2.gz CQQDEJPMVJZGAT-LQWHRVPQSA-N 2 1 329.532 3.348 20 0 EGADMP CC[C@H](CC(C)C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001172401286 1384784991 /nfs/dbraw/zinc/78/49/91/1384784991.db2.gz LSWUVGDPOWBLQA-VAMGGRTRSA-N 2 1 349.563 3.218 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)C1)C1CCCCC1 ZINC001317061240 1384833161 /nfs/dbraw/zinc/83/31/61/1384833161.db2.gz LFSMTHWHBCYOFQ-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccc[nH+]c1N([C@@H](C)CCC(=O)OC(C)C)C1CC[NH2+]CC1 ZINC001172770436 1384848089 /nfs/dbraw/zinc/84/80/89/1384848089.db2.gz LRRBTOUWQTWCTI-INIZCTEOSA-N 2 1 333.476 3.069 20 0 EGADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](C2CCCC2)C2CCN(C)CC2)CC1 ZINC001172804014 1384855708 /nfs/dbraw/zinc/85/57/08/1384855708.db2.gz RRXBPUUJUUUWSU-WMZOPIPTSA-N 2 1 336.520 3.447 20 0 EGADMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@@H](OC)C3)CC2)cc1 ZINC001172925937 1384880764 /nfs/dbraw/zinc/88/07/64/1384880764.db2.gz LWUNOJNGOKKTHM-TZIWHRDSSA-N 2 1 346.515 3.249 20 0 EGADMP CCCC[N@@H+](C)CCC[NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172997199 1384895827 /nfs/dbraw/zinc/89/58/27/1384895827.db2.gz UYTRTHCUDFYZBQ-UHFFFAOYSA-N 2 1 349.494 3.142 20 0 EGADMP CC[NH+](CC)C1CCC([NH2+][C@@](C)(Cc2ccccc2)C(=O)OC)CC1 ZINC001173107124 1384916191 /nfs/dbraw/zinc/91/61/91/1384916191.db2.gz KHYCYDOSLCZBOM-GRERDSQWSA-N 2 1 346.515 3.403 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@]3(C2)c2ccccc2NC3=O)CC1 ZINC001173111293 1384917320 /nfs/dbraw/zinc/91/73/20/1384917320.db2.gz VCYVADMBBFPVFD-BPZDKFOGSA-N 2 1 341.499 3.235 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)CC1 ZINC001173113926 1384917732 /nfs/dbraw/zinc/91/77/32/1384917732.db2.gz PDXASEOLPHPVCP-CTWPCTMYSA-N 2 1 331.504 3.496 20 0 EGADMP c1nc2c(s1)C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001173122294 1384918689 /nfs/dbraw/zinc/91/86/89/1384918689.db2.gz XEBHWNWRAQPLRP-IAGOWNOFSA-N 2 1 327.497 3.112 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001317178586 1384952915 /nfs/dbraw/zinc/95/29/15/1384952915.db2.gz CCBOHNACQGCUIA-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001317178586 1384952916 /nfs/dbraw/zinc/95/29/16/1384952916.db2.gz CCBOHNACQGCUIA-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001317178586 1384952917 /nfs/dbraw/zinc/95/29/17/1384952917.db2.gz CCBOHNACQGCUIA-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP CC[N@@H+]1CC[C@H](NCC2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001173350198 1384963870 /nfs/dbraw/zinc/96/38/70/1384963870.db2.gz JCJJQGFQSVYOFS-QFIPXVFZSA-N 2 1 349.522 3.392 20 0 EGADMP CC[N@H+]1CC[C@H](NCC2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001173350198 1384963875 /nfs/dbraw/zinc/96/38/75/1384963875.db2.gz JCJJQGFQSVYOFS-QFIPXVFZSA-N 2 1 349.522 3.392 20 0 EGADMP CC[N@H+]1CC[C@@H](N2CCC([NH+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001173366925 1384965701 /nfs/dbraw/zinc/96/57/01/1384965701.db2.gz CAFZKMPDDVSGBJ-LJQANCHMSA-N 2 1 335.923 3.330 20 0 EGADMP CC[NH+]1CC[C@@H](N2CCC([N@H+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001173366925 1384965707 /nfs/dbraw/zinc/96/57/07/1384965707.db2.gz CAFZKMPDDVSGBJ-LJQANCHMSA-N 2 1 335.923 3.330 20 0 EGADMP CC[NH+]1CC[C@@H](N2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001173366925 1384965708 /nfs/dbraw/zinc/96/57/08/1384965708.db2.gz CAFZKMPDDVSGBJ-LJQANCHMSA-N 2 1 335.923 3.330 20 0 EGADMP COC(=O)CCCC[C@H](C)[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC001173452307 1384973677 /nfs/dbraw/zinc/97/36/77/1384973677.db2.gz IRRIKRRMUGMCFO-INIZCTEOSA-N 2 1 333.476 3.070 20 0 EGADMP [NH3+]C1(c2ccccc2)CC[NH+](C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173477526 1384977367 /nfs/dbraw/zinc/97/73/67/1384977367.db2.gz QJUBAQRERBFAQL-UHFFFAOYSA-N 2 1 328.406 3.382 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001173658564 1384998378 /nfs/dbraw/zinc/99/83/78/1384998378.db2.gz QSSADFRCGHPCSZ-YDZRNGNQSA-N 2 1 336.520 3.447 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001173658564 1384998379 /nfs/dbraw/zinc/99/83/79/1384998379.db2.gz QSSADFRCGHPCSZ-YDZRNGNQSA-N 2 1 336.520 3.447 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001173658564 1384998381 /nfs/dbraw/zinc/99/83/81/1384998381.db2.gz QSSADFRCGHPCSZ-YDZRNGNQSA-N 2 1 336.520 3.447 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@@H](N(c2[nH+]cccc2C)C2CC[NH2+]CC2)C1 ZINC001173664697 1385000006 /nfs/dbraw/zinc/00/00/06/1385000006.db2.gz NERWAZJIFCIEGE-SJLPKXTDSA-N 2 1 345.487 3.070 20 0 EGADMP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001174804672 1385151294 /nfs/dbraw/zinc/15/12/94/1385151294.db2.gz CFHBETSSSVHWSC-MGBKSAOESA-N 2 1 337.552 3.482 20 0 EGADMP C[C@@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175257337 1385232014 /nfs/dbraw/zinc/23/20/14/1385232014.db2.gz ZOKCEKJHQQRSJE-IRXDYDNUSA-N 2 1 349.494 3.075 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175273743 1385237866 /nfs/dbraw/zinc/23/78/66/1385237866.db2.gz VPXCMSKQZYPWFX-QGZVFWFLSA-N 2 1 337.552 3.173 20 0 EGADMP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175273797 1385238209 /nfs/dbraw/zinc/23/82/09/1385238209.db2.gz WOPRCKZYXVTMEJ-DLBZAZTESA-N 2 1 325.541 3.029 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCC1 ZINC001175571444 1385334762 /nfs/dbraw/zinc/33/47/62/1385334762.db2.gz BJSMUUWVXIHLLZ-MJGOQNOKSA-N 2 1 337.552 3.314 20 0 EGADMP C[NH+]1CCC(CC(=O)NCC[C@H]2CC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001317801877 1385495932 /nfs/dbraw/zinc/49/59/32/1385495932.db2.gz FLDQNOVKFGOHLF-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176167026 1385500600 /nfs/dbraw/zinc/50/06/00/1385500600.db2.gz WFHWVBZBWHYLLC-MSOLQXFVSA-N 2 1 325.541 3.029 20 0 EGADMP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176165212 1385501030 /nfs/dbraw/zinc/50/10/30/1385501030.db2.gz JKQNHZFPDNHIFD-MSOLQXFVSA-N 2 1 325.541 3.173 20 0 EGADMP CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001317808118 1385503901 /nfs/dbraw/zinc/50/39/01/1385503901.db2.gz CJWYHLHTZXTCPQ-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C ZINC001176269245 1385532664 /nfs/dbraw/zinc/53/26/64/1385532664.db2.gz SSENIKYOWSVFPJ-IBGZPJMESA-N 2 1 347.547 3.492 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1ccsc1 ZINC001176269742 1385533258 /nfs/dbraw/zinc/53/32/58/1385533258.db2.gz XAGOTLXLGYXYDQ-MRXNPFEDSA-N 2 1 339.549 3.245 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001176591793 1385634699 /nfs/dbraw/zinc/63/46/99/1385634699.db2.gz PIFLJOSAMDUWJO-MRXNPFEDSA-N 2 1 334.508 3.036 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001176753673 1385684441 /nfs/dbraw/zinc/68/44/41/1385684441.db2.gz KEBXJVVJBCNQQL-LJQANCHMSA-N 2 1 347.547 3.408 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+][C@H]1CCc2ccccc21 ZINC001176754384 1385684456 /nfs/dbraw/zinc/68/44/56/1385684456.db2.gz UHQCLDVIMZSELI-PXNSSMCTSA-N 2 1 345.531 3.279 20 0 EGADMP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176760306 1385686978 /nfs/dbraw/zinc/68/69/78/1385686978.db2.gz UKUWKMVVUIPZIZ-OXUXSNCKSA-N 2 1 337.552 3.482 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001176980614 1385762400 /nfs/dbraw/zinc/76/24/00/1385762400.db2.gz LRRKCIGOAUDHBK-UHFFFAOYSA-N 2 1 339.568 3.275 20 0 EGADMP CC(C)[C@H](CN[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC1 ZINC001177208823 1385864972 /nfs/dbraw/zinc/86/49/72/1385864972.db2.gz AHOTZLBTNNSGQB-NRSPTQNISA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[C@H](CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC1 ZINC001177208823 1385864976 /nfs/dbraw/zinc/86/49/76/1385864976.db2.gz AHOTZLBTNNSGQB-NRSPTQNISA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[C@H](C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C)[NH+]1CCCC1 ZINC001177208823 1385864978 /nfs/dbraw/zinc/86/49/78/1385864978.db2.gz AHOTZLBTNNSGQB-NRSPTQNISA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177316817 1385911160 /nfs/dbraw/zinc/91/11/60/1385911160.db2.gz HNUWHKCGFQKWPJ-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001177317295 1385912136 /nfs/dbraw/zinc/91/21/36/1385912136.db2.gz UABHPTVOBUKDNG-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001177349107 1385924543 /nfs/dbraw/zinc/92/45/43/1385924543.db2.gz YIAYQQNQVAILPQ-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](CN[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC001177416561 1385949349 /nfs/dbraw/zinc/94/93/49/1385949349.db2.gz SBURKPHMWDGVKO-DYXWJJEUSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H](C[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC001177416561 1385949354 /nfs/dbraw/zinc/94/93/54/1385949354.db2.gz SBURKPHMWDGVKO-DYXWJJEUSA-N 2 1 329.532 3.219 20 0 EGADMP CC[C@@H](F)C[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@@H+](C)CC ZINC001177456346 1385962450 /nfs/dbraw/zinc/96/24/50/1385962450.db2.gz RDKRGPLRGRNWMX-GOSISDBHSA-N 2 1 343.531 3.075 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(CNc2c(C)c[nH+]c3ccccc32)cn1 ZINC001319130697 1385969887 /nfs/dbraw/zinc/96/98/87/1385969887.db2.gz GWLRXVLWWXUWAM-UHFFFAOYSA-N 2 1 329.407 3.466 20 0 EGADMP OC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC001177479090 1385971929 /nfs/dbraw/zinc/97/19/29/1385971929.db2.gz DNHXIHBRPHRMDM-OAQYLSRUSA-N 2 1 338.495 3.092 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1C ZINC001177484334 1385974611 /nfs/dbraw/zinc/97/46/11/1385974611.db2.gz BIOOVLSYJLPGNB-QGZVFWFLSA-N 2 1 348.535 3.236 20 0 EGADMP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]Cc3cccc4c3OCC4)C2)cc1 ZINC001177669073 1386019247 /nfs/dbraw/zinc/01/92/47/1386019247.db2.gz PCSLUHLGAYGQOX-IBGZPJMESA-N 2 1 336.479 3.276 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]Cc3cccc4c3OCC4)C2)cc1 ZINC001177669073 1386019251 /nfs/dbraw/zinc/01/92/51/1386019251.db2.gz PCSLUHLGAYGQOX-IBGZPJMESA-N 2 1 336.479 3.276 20 0 EGADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(F)cc1F ZINC001178291045 1386181307 /nfs/dbraw/zinc/18/13/07/1386181307.db2.gz REUBJEYYLXOJAP-IBGZPJMESA-N 2 1 346.421 3.211 20 0 EGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(F)cc1F ZINC001178291045 1386181310 /nfs/dbraw/zinc/18/13/10/1386181310.db2.gz REUBJEYYLXOJAP-IBGZPJMESA-N 2 1 346.421 3.211 20 0 EGADMP CSc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001178464443 1386225851 /nfs/dbraw/zinc/22/58/51/1386225851.db2.gz ZAEMLDMEHIHDGW-LJQANCHMSA-N 2 1 342.508 3.265 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCCCCC[NH2+]CCCF ZINC001178526964 1386241195 /nfs/dbraw/zinc/24/11/95/1386241195.db2.gz GHYSFIHTDKALDG-MRXNPFEDSA-N 2 1 340.487 3.022 20 0 EGADMP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001178693505 1386279792 /nfs/dbraw/zinc/27/97/92/1386279792.db2.gz UQNOGHPKWJARQM-QZTJIDSGSA-N 2 1 343.531 3.264 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001178915199 1386347141 /nfs/dbraw/zinc/34/71/41/1386347141.db2.gz AWWAEVHGAVTPRS-RTBURBONSA-N 2 1 339.568 3.419 20 0 EGADMP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001178920724 1386349590 /nfs/dbraw/zinc/34/95/90/1386349590.db2.gz HCPFGRNZXQLHRM-IBGZPJMESA-N 2 1 337.552 3.339 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001178925128 1386350864 /nfs/dbraw/zinc/35/08/64/1386350864.db2.gz CCFSENVVGVATAL-WDSOQIARSA-N 2 1 335.536 3.020 20 0 EGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179382903 1386467984 /nfs/dbraw/zinc/46/79/84/1386467984.db2.gz FBISKFNKSCVOCY-WLMAVBAVSA-N 2 1 337.552 3.339 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CCCC3CCC3)[C@@H]2C)C1 ZINC001179388483 1386471754 /nfs/dbraw/zinc/47/17/54/1386471754.db2.gz JISQXACZBFZBJR-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CCC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001179580599 1386521372 /nfs/dbraw/zinc/52/13/72/1386521372.db2.gz JRGWDBLDSFWSGJ-GOSISDBHSA-N 2 1 325.541 3.173 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001179592462 1386526291 /nfs/dbraw/zinc/52/62/91/1386526291.db2.gz CCBOAKNIPVPAJS-QGZVFWFLSA-N 2 1 325.541 3.031 20 0 EGADMP CC1CC(C[NH2+]CCCCCCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001179592769 1386526386 /nfs/dbraw/zinc/52/63/86/1386526386.db2.gz MTFVBFFJHVDOPE-UHFFFAOYSA-N 2 1 339.568 3.277 20 0 EGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001179592770 1386526698 /nfs/dbraw/zinc/52/66/98/1386526698.db2.gz MVAUVRPTHJMPBN-AATRIKPKSA-N 2 1 337.552 3.341 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179591649 1386526989 /nfs/dbraw/zinc/52/69/89/1386526989.db2.gz ZRBNNAKTDGTIAH-MJGOQNOKSA-N 2 1 337.552 3.031 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001179776872 1386581401 /nfs/dbraw/zinc/58/14/01/1386581401.db2.gz LJFDIAJOROWSOJ-QGZVFWFLSA-N 2 1 342.487 3.055 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]C[C@@H](C)CC(C)C ZINC001179989494 1386660055 /nfs/dbraw/zinc/66/00/55/1386660055.db2.gz ZZTIWEPIIUGIFS-SFHVURJKSA-N 2 1 327.557 3.277 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCCCCCC[NH2+]CC2CCCCC2)C1 ZINC001180064947 1386685360 /nfs/dbraw/zinc/68/53/60/1386685360.db2.gz BBRKIKXKJNCVBJ-LJQANCHMSA-N 2 1 337.552 3.175 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+][C@H](C)c1ccccc1 ZINC001180369663 1386777061 /nfs/dbraw/zinc/77/70/61/1386777061.db2.gz RIEFHRWGWNKIOQ-GOSISDBHSA-N 2 1 333.520 3.354 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CCCCCF ZINC001180372931 1386777584 /nfs/dbraw/zinc/77/75/84/1386777584.db2.gz OJUFWQSVSCMKDD-SFHVURJKSA-N 2 1 343.531 3.267 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CCC(C)C ZINC001180372650 1386777902 /nfs/dbraw/zinc/77/79/02/1386777902.db2.gz FXUOYQVREDZOEU-GOSISDBHSA-N 2 1 325.541 3.173 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2coc3ccccc23)C1 ZINC001180802070 1386877242 /nfs/dbraw/zinc/87/72/42/1386877242.db2.gz MHCQGLLUOBRTEX-IBGZPJMESA-N 2 1 336.435 3.289 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2c1C[N@@H+](C)C[C@H]2c1ccccc1)[NH+](C)C ZINC001180862454 1386886327 /nfs/dbraw/zinc/88/63/27/1386886327.db2.gz PJINTOUQLKJFDC-YJBOKZPZSA-N 2 1 337.467 3.153 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@]1(C)C[NH2+]CCCC1CCCC1 ZINC001180898935 1386894262 /nfs/dbraw/zinc/89/42/62/1386894262.db2.gz GYNSRFQWTARRFR-YFVAEKQCSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@@]1(C)C[NH2+]CC1CCCC1 ZINC001181792700 1387055716 /nfs/dbraw/zinc/05/57/16/1387055716.db2.gz IOHGXJHJHMTKRS-SLYNCCJLSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001322229283 1387111102 /nfs/dbraw/zinc/11/11/02/1387111102.db2.gz AAHNOYNUSHPVID-QAPCUYQASA-N 2 1 349.494 3.055 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)N[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC001182231874 1387127413 /nfs/dbraw/zinc/12/74/13/1387127413.db2.gz BSAJYLJNBFIFOJ-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCCC[NH+](CC)[C@H](C(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC001182231874 1387127415 /nfs/dbraw/zinc/12/74/15/1387127415.db2.gz BSAJYLJNBFIFOJ-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCCC[NH+](CC)[C@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC001182231874 1387127419 /nfs/dbraw/zinc/12/74/19/1387127419.db2.gz BSAJYLJNBFIFOJ-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP C[NH+](C)C1(C(=O)Nc2ccc3c(c2)CC[C@H]([NH+]2CCCC2)CC3)CC1 ZINC001182601400 1387194921 /nfs/dbraw/zinc/19/49/21/1387194921.db2.gz UUXSEWUGOODBRF-LJQANCHMSA-N 2 1 341.499 3.063 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001182614184 1387196468 /nfs/dbraw/zinc/19/64/68/1387196468.db2.gz FJPVQASJUDSSDB-VWICVCDTSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001329569424 1389159556 /nfs/dbraw/zinc/15/95/56/1389159556.db2.gz AVEIMYVVVGHYGG-CVEARBPZSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001330499980 1389432969 /nfs/dbraw/zinc/43/29/69/1389432969.db2.gz PNGLRRNYELYIEJ-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001330499980 1389432972 /nfs/dbraw/zinc/43/29/72/1389432972.db2.gz PNGLRRNYELYIEJ-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001330499980 1389432976 /nfs/dbraw/zinc/43/29/76/1389432976.db2.gz PNGLRRNYELYIEJ-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001330504278 1389436049 /nfs/dbraw/zinc/43/60/49/1389436049.db2.gz JKQSAGCYPWYQBA-UHFFFAOYSA-N 2 1 347.422 3.115 20 0 EGADMP Cn1cc(C[N@@H+]2C[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]3C2)c(-c2cccs2)n1 ZINC001335132979 1390646440 /nfs/dbraw/zinc/64/64/40/1390646440.db2.gz AEVVSDUZOCUJPY-HLLBOEOZSA-N 2 1 344.528 3.311 20 0 EGADMP CN(C)c1ncccc1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001347139776 1391009940 /nfs/dbraw/zinc/00/99/40/1391009940.db2.gz FNEMYMZMEKGQEQ-OAQYLSRUSA-N 2 1 338.499 3.149 20 0 EGADMP CN(C)c1ncccc1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001347139776 1391009945 /nfs/dbraw/zinc/00/99/45/1391009945.db2.gz FNEMYMZMEKGQEQ-OAQYLSRUSA-N 2 1 338.499 3.149 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cccn3C3CC3)CC2)oc1C ZINC001347781928 1391123685 /nfs/dbraw/zinc/12/36/85/1391123685.db2.gz KXEIYWXDRPOXCA-UHFFFAOYSA-N 2 1 342.487 3.430 20 0 EGADMP Cn1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(C2CCCCC2)n1 ZINC001349326099 1391320940 /nfs/dbraw/zinc/32/09/40/1391320940.db2.gz SYWKQAULDPBWKT-UHFFFAOYSA-N 2 1 330.520 3.433 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001351288019 1391621895 /nfs/dbraw/zinc/62/18/95/1391621895.db2.gz KNTVYTSKZBOVTN-OALUTQOASA-N 2 1 331.504 3.059 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC(C)(C)C[NH3+] ZINC001353468881 1392017696 /nfs/dbraw/zinc/01/76/96/1392017696.db2.gz JFMGSJMXYYECBI-INIZCTEOSA-N 2 1 331.504 3.052 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC001698847986 1406549886 /nfs/dbraw/zinc/54/98/86/1406549886.db2.gz LZRTYAIGLJNBBW-IRXDYDNUSA-N 2 1 342.487 3.169 20 0 EGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001480109545 1392588743 /nfs/dbraw/zinc/58/87/43/1392588743.db2.gz HAEWMMZJJKXOTF-OALUTQOASA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H](C[NH2+]CC1CCCCC1)N(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001698864306 1406577233 /nfs/dbraw/zinc/57/72/33/1406577233.db2.gz RYQKPSCFWUDPJZ-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP C[C@H](C[NH2+]CC1CCCCC1)N(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001698864306 1406577239 /nfs/dbraw/zinc/57/72/39/1406577239.db2.gz RYQKPSCFWUDPJZ-GOSISDBHSA-N 2 1 345.531 3.135 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)[C@@H](C)c1cccc(C)c1 ZINC001480979349 1393063477 /nfs/dbraw/zinc/06/34/77/1393063477.db2.gz GWOJRRFLWUQCCN-AZUAARDMSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC)[C@@H](C)c1cccc(C)c1 ZINC001480979349 1393063479 /nfs/dbraw/zinc/06/34/79/1393063479.db2.gz GWOJRRFLWUQCCN-AZUAARDMSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC)[C@@H](C)c1cccc(C)c1 ZINC001480979349 1393063483 /nfs/dbraw/zinc/06/34/83/1393063483.db2.gz GWOJRRFLWUQCCN-AZUAARDMSA-N 2 1 345.531 3.369 20 0 EGADMP CC[N@H+](CC/C=C/c1ccccc1)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001480982751 1393066851 /nfs/dbraw/zinc/06/68/51/1393066851.db2.gz GHXFYTRBALAXSV-LOULHMMLSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](CC/C=C/c1ccccc1)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001480982751 1393066856 /nfs/dbraw/zinc/06/68/56/1393066856.db2.gz GHXFYTRBALAXSV-LOULHMMLSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](CC/C=C/c1ccccc1)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001480982751 1393066859 /nfs/dbraw/zinc/06/68/59/1393066859.db2.gz GHXFYTRBALAXSV-LOULHMMLSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001481121269 1393125329 /nfs/dbraw/zinc/12/53/29/1393125329.db2.gz WTUDEGZWMWVTBO-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001481121269 1393125330 /nfs/dbraw/zinc/12/53/30/1393125330.db2.gz WTUDEGZWMWVTBO-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC001481121269 1393125331 /nfs/dbraw/zinc/12/53/31/1393125331.db2.gz WTUDEGZWMWVTBO-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N(C)C1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC001490421445 1394222548 /nfs/dbraw/zinc/22/25/48/1394222548.db2.gz IPFVDSHDADATKI-FQEVSTJZSA-N 2 1 345.531 3.258 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001481526635 1394378976 /nfs/dbraw/zinc/37/89/76/1394378976.db2.gz SHLYTCGCBWRDHZ-QZTJIDSGSA-N 2 1 343.515 3.121 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001491110056 1394431480 /nfs/dbraw/zinc/43/14/80/1394431480.db2.gz CQDMLNPQNGMVBA-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@@H+](CCC(=O)NC[C@@H]1CCCC[NH+]1CC1CC1)C1CCCCC1 ZINC001491219290 1394478141 /nfs/dbraw/zinc/47/81/41/1394478141.db2.gz OVGAEXYSWUZKFL-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC1)C1CCCCC1 ZINC001491219290 1394478143 /nfs/dbraw/zinc/47/81/43/1394478143.db2.gz OVGAEXYSWUZKFL-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCC(=O)NC[C@@H]1CCCC[N@H+]1CC1CC1)C1CCCCC1 ZINC001491219290 1394478145 /nfs/dbraw/zinc/47/81/45/1394478145.db2.gz OVGAEXYSWUZKFL-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(C)cc2C)C1 ZINC001481749737 1394494351 /nfs/dbraw/zinc/49/43/51/1394494351.db2.gz VMFWXVNLEQUMIM-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC001481749737 1394494352 /nfs/dbraw/zinc/49/43/52/1394494352.db2.gz VMFWXVNLEQUMIM-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001481749737 1394494353 /nfs/dbraw/zinc/49/43/53/1394494353.db2.gz VMFWXVNLEQUMIM-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CN(C(=O)CCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001481753269 1394497529 /nfs/dbraw/zinc/49/75/29/1394497529.db2.gz RCZNLNLKMYDXFA-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@]1(C[NH2+]CC2CC2)CCCC[C@@H]1C ZINC001481961707 1394622980 /nfs/dbraw/zinc/62/29/80/1394622980.db2.gz NVWLBWDGGLCXJG-JXFKEZNVSA-N 2 1 346.519 3.071 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001482020557 1394677027 /nfs/dbraw/zinc/67/70/27/1394677027.db2.gz JBFHGQQPNIHQRM-NCXUSEDFSA-N 2 1 337.552 3.027 20 0 EGADMP CC(C)[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001698960388 1406713175 /nfs/dbraw/zinc/71/31/75/1406713175.db2.gz IAVZOGLJEJBGBB-BEFAXECRSA-N 2 1 349.494 3.101 20 0 EGADMP CCCC[N@@H+](C)CCC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001482508156 1395061891 /nfs/dbraw/zinc/06/18/91/1395061891.db2.gz YMGPVKGOHWHNQC-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NC2(C)CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001483970702 1395169393 /nfs/dbraw/zinc/16/93/93/1395169393.db2.gz IQTZTWRRSMMCKR-GOSISDBHSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001484061177 1395226037 /nfs/dbraw/zinc/22/60/37/1395226037.db2.gz PRJJTRTYERIWOE-XLIONFOSSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001484061177 1395226041 /nfs/dbraw/zinc/22/60/41/1395226041.db2.gz PRJJTRTYERIWOE-XLIONFOSSA-N 2 1 348.535 3.269 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001698990131 1406778210 /nfs/dbraw/zinc/77/82/10/1406778210.db2.gz WSDRSVJEBSZUAM-GOSISDBHSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC[NH+](C)CCCC(C)(C)C)C1 ZINC001698993627 1406787355 /nfs/dbraw/zinc/78/73/55/1406787355.db2.gz MOAKCWNLTDXVOD-SFHVURJKSA-N 2 1 339.568 3.325 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)CC[N@H+](C)CCCC(C)(C)C)C1 ZINC001698993627 1406787356 /nfs/dbraw/zinc/78/73/56/1406787356.db2.gz MOAKCWNLTDXVOD-SFHVURJKSA-N 2 1 339.568 3.325 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)CC[N@@H+](C)CCCC(C)(C)C)C1 ZINC001698993627 1406787361 /nfs/dbraw/zinc/78/73/61/1406787361.db2.gz MOAKCWNLTDXVOD-SFHVURJKSA-N 2 1 339.568 3.325 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1C[N@@H+](CCCC(C)(C)C)CC1(C)C)[NH+](C)C ZINC001485583136 1396058525 /nfs/dbraw/zinc/05/85/25/1396058525.db2.gz YMXHEPHBCSLQEK-IRXDYDNUSA-N 2 1 339.568 3.226 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC([N@@H+](C)CCCC2CCCC2)CC1 ZINC001485763573 1396139678 /nfs/dbraw/zinc/13/96/78/1396139678.db2.gz VWXYQVIFYNIQQS-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001492166309 1396311354 /nfs/dbraw/zinc/31/13/54/1396311354.db2.gz LRQZKPHTHHKYKM-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001492166309 1396311355 /nfs/dbraw/zinc/31/13/55/1396311355.db2.gz LRQZKPHTHHKYKM-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC001492166309 1396311356 /nfs/dbraw/zinc/31/13/56/1396311356.db2.gz LRQZKPHTHHKYKM-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@H](C)c1ccccc1F ZINC001492317131 1396319080 /nfs/dbraw/zinc/31/90/80/1396319080.db2.gz WEUPTBAXVAPZFP-VQIMIIECSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@H](C)c1ccccc1F ZINC001492317131 1396319081 /nfs/dbraw/zinc/31/90/81/1396319081.db2.gz WEUPTBAXVAPZFP-VQIMIIECSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)[C@H](C)c1ccccc1F ZINC001492317131 1396319082 /nfs/dbraw/zinc/31/90/82/1396319082.db2.gz WEUPTBAXVAPZFP-VQIMIIECSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)[C@H](C)c1ccccc1F ZINC001492317131 1396319083 /nfs/dbraw/zinc/31/90/83/1396319083.db2.gz WEUPTBAXVAPZFP-VQIMIIECSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001494170126 1396393885 /nfs/dbraw/zinc/39/38/85/1396393885.db2.gz AFBCOBKMTBEUDP-IRXDYDNUSA-N 2 1 349.494 3.009 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001494170126 1396393892 /nfs/dbraw/zinc/39/38/92/1396393892.db2.gz AFBCOBKMTBEUDP-IRXDYDNUSA-N 2 1 349.494 3.009 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001494170126 1396393895 /nfs/dbraw/zinc/39/38/95/1396393895.db2.gz AFBCOBKMTBEUDP-IRXDYDNUSA-N 2 1 349.494 3.009 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)C1CCC1)CC2 ZINC001495974682 1396584423 /nfs/dbraw/zinc/58/44/23/1396584423.db2.gz YVOMNERDSRNRLQ-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001497297392 1396744984 /nfs/dbraw/zinc/74/49/84/1396744984.db2.gz FEYYZDOBTNDZRB-HNAYVOBHSA-N 2 1 349.494 3.029 20 0 EGADMP C[C@H](C[N@@H+](C)CC1CCCCC1)NC(=O)CCC[NH+]1CCCCC1 ZINC001498461605 1397010541 /nfs/dbraw/zinc/01/05/41/1397010541.db2.gz VBILLEZAMPHGRF-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCCC1)C1CCC1 ZINC001690448164 1404571973 /nfs/dbraw/zinc/57/19/73/1404571973.db2.gz FSIOLZVZSVLXDB-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC1CCCC1)C1CCC1 ZINC001690448164 1404571975 /nfs/dbraw/zinc/57/19/75/1404571975.db2.gz FSIOLZVZSVLXDB-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCC[N@H+]1CCCC1CCCC1)C1CCC1 ZINC001690448164 1404571980 /nfs/dbraw/zinc/57/19/80/1404571980.db2.gz FSIOLZVZSVLXDB-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001690498430 1404611108 /nfs/dbraw/zinc/61/11/08/1404611108.db2.gz HZHLTHYEUXPQEW-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](c1ccccc1F)[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001690819065 1404755033 /nfs/dbraw/zinc/75/50/33/1404755033.db2.gz SXJWXIBNSUGBPZ-IRXDYDNUSA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001690986499 1404901763 /nfs/dbraw/zinc/90/17/63/1404901763.db2.gz UYSKRAZDUBKNEM-MRXNPFEDSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC001725505227 1426187839 /nfs/dbraw/zinc/18/78/39/1426187839.db2.gz KGYUXWKAOHTFTI-SJORKVTESA-N 2 1 333.520 3.162 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C[C@H]1CC[N@@H+]1CCCC1CCC1 ZINC001691402152 1405238779 /nfs/dbraw/zinc/23/87/79/1405238779.db2.gz GVYXKHCTLYOZCM-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCC1 ZINC001691402152 1405238782 /nfs/dbraw/zinc/23/87/82/1405238782.db2.gz GVYXKHCTLYOZCM-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC2(C[C@@H]1C)CC[NH+](CC1CCC1)CC2 ZINC001691690334 1405425302 /nfs/dbraw/zinc/42/53/02/1405425302.db2.gz RBHYXDPKNCOCBT-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)CC1CCCCC1 ZINC001691999526 1405715250 /nfs/dbraw/zinc/71/52/50/1405715250.db2.gz UBVVZMZBVUAFLE-FQEVSTJZSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)C[N@H+](C)CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001692030316 1405746134 /nfs/dbraw/zinc/74/61/34/1405746134.db2.gz LGQCUGIOIIKUAI-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)C[N@@H+](C)CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001692030316 1405746135 /nfs/dbraw/zinc/74/61/35/1405746135.db2.gz LGQCUGIOIIKUAI-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001692092703 1405769114 /nfs/dbraw/zinc/76/91/14/1405769114.db2.gz AGCRGOGGBGLWLT-IPELMVKDSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(F)c2)C1)[NH+](C)C ZINC001692092703 1405769116 /nfs/dbraw/zinc/76/91/16/1405769116.db2.gz AGCRGOGGBGLWLT-IPELMVKDSA-N 2 1 349.494 3.054 20 0 EGADMP CCN(C(=O)C[NH+]1CCC(C)CC1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001698588721 1406208837 /nfs/dbraw/zinc/20/88/37/1406208837.db2.gz SOVDFRFTSPJLIE-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H]([NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCC1)c1ccccc1 ZINC001732226597 1428475004 /nfs/dbraw/zinc/47/50/04/1428475004.db2.gz AJTARPLDXZQSRI-OALUTQOASA-N 2 1 343.515 3.251 20 0 EGADMP CC(C)C[NH2+]CC1(NC(=O)CC[N@@H+](C)C2CCCCC2)CCCC1 ZINC001732230662 1428477787 /nfs/dbraw/zinc/47/77/87/1428477787.db2.gz JWUXZBNPORSIRQ-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)C[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCC[C@@H]1C ZINC001732261412 1428501681 /nfs/dbraw/zinc/50/16/81/1428501681.db2.gz ZCEFVVLRANODEA-FXAWDEMLSA-N 2 1 348.535 3.317 20 0 EGADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)CC2)cs1 ZINC001732310163 1428523855 /nfs/dbraw/zinc/52/38/55/1428523855.db2.gz HPHXMCQVFHBZEB-QAQDUYKDSA-N 2 1 349.544 3.058 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)NCC1([NH2+]CCC2CCCC2)CCCC1 ZINC001732396004 1428563189 /nfs/dbraw/zinc/56/31/89/1428563189.db2.gz FFFDCNVGFASLQN-INIZCTEOSA-N 2 1 346.519 3.187 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](CC1CC1)C1CCCCCC1 ZINC001699683915 1413079641 /nfs/dbraw/zinc/07/96/41/1413079641.db2.gz UPYCVMUQJYGYSS-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](CC1CC1)C1CCCCCC1 ZINC001699683915 1413079646 /nfs/dbraw/zinc/07/96/46/1413079646.db2.gz UPYCVMUQJYGYSS-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](CC1CC1)C1CCCCCC1 ZINC001699683915 1413079650 /nfs/dbraw/zinc/07/96/50/1413079650.db2.gz UPYCVMUQJYGYSS-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001699946832 1413391113 /nfs/dbraw/zinc/39/11/13/1413391113.db2.gz APLCOGCVGYKOTL-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)[C@@H](C)c1ccc(F)cc1 ZINC001700365009 1413887035 /nfs/dbraw/zinc/88/70/35/1413887035.db2.gz SZZVSNNNDHLMLY-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001700365009 1413887036 /nfs/dbraw/zinc/88/70/36/1413887036.db2.gz SZZVSNNNDHLMLY-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001700365009 1413887040 /nfs/dbraw/zinc/88/70/40/1413887040.db2.gz SZZVSNNNDHLMLY-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001700459797 1414055006 /nfs/dbraw/zinc/05/50/06/1414055006.db2.gz DZOSKUFROKWGHT-WMZOPIPTSA-N 2 1 331.504 3.059 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1ccccc1C ZINC001732582798 1428791985 /nfs/dbraw/zinc/79/19/85/1428791985.db2.gz ZXRYXWUHRWXGCF-QUCCMNQESA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)[C@H](C)c1ccccc1C ZINC001732582798 1428791987 /nfs/dbraw/zinc/79/19/87/1428791987.db2.gz ZXRYXWUHRWXGCF-QUCCMNQESA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccccc1C ZINC001732582798 1428791988 /nfs/dbraw/zinc/79/19/88/1428791988.db2.gz ZXRYXWUHRWXGCF-QUCCMNQESA-N 2 1 345.531 3.321 20 0 EGADMP C[C@H]1CCC[C@@H](CC[N@@H+](C)CCN(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001732584970 1428796913 /nfs/dbraw/zinc/79/69/13/1428796913.db2.gz DVHOZXIRMDSIKO-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C(=O)N(C)CC[N@@H+](C)CCC1CCCCCC1)[NH+](C)C ZINC001732590785 1428813313 /nfs/dbraw/zinc/81/33/13/1428813313.db2.gz GSSXIXAUNJMWPT-SFHVURJKSA-N 2 1 325.541 3.077 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001700878784 1414534063 /nfs/dbraw/zinc/53/40/63/1414534063.db2.gz IFFWABSGCWBPQM-IEBWSBKVSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001700878784 1414534066 /nfs/dbraw/zinc/53/40/66/1414534066.db2.gz IFFWABSGCWBPQM-IEBWSBKVSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001700878784 1414534068 /nfs/dbraw/zinc/53/40/68/1414534068.db2.gz IFFWABSGCWBPQM-IEBWSBKVSA-N 2 1 337.552 3.410 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@H]21 ZINC001732604499 1428856804 /nfs/dbraw/zinc/85/68/04/1428856804.db2.gz BSXLPYDQRHZBPV-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001733053665 1429194234 /nfs/dbraw/zinc/19/42/34/1429194234.db2.gz SJMGDGRZDRYOTP-MSOLQXFVSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001733053665 1429194237 /nfs/dbraw/zinc/19/42/37/1429194237.db2.gz SJMGDGRZDRYOTP-MSOLQXFVSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001733053665 1429194238 /nfs/dbraw/zinc/19/42/38/1429194238.db2.gz SJMGDGRZDRYOTP-MSOLQXFVSA-N 2 1 347.547 3.470 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713061131 1417617576 /nfs/dbraw/zinc/61/75/76/1417617576.db2.gz SQPYAUFPNQIZFZ-XFHJGTJQSA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713130808 1417703490 /nfs/dbraw/zinc/70/34/90/1417703490.db2.gz PTMIPUAEVYKDSC-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1CCC(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001713287720 1417914688 /nfs/dbraw/zinc/91/46/88/1417914688.db2.gz PGZHEKMBGGROQU-WWDZGPRUSA-N 2 1 337.552 3.170 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2ccccc2C)C1 ZINC001713398926 1418019145 /nfs/dbraw/zinc/01/91/45/1418019145.db2.gz AUMIYOLFRJZBSO-RTBURBONSA-N 2 1 345.531 3.321 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001713398926 1418019150 /nfs/dbraw/zinc/01/91/50/1418019150.db2.gz AUMIYOLFRJZBSO-RTBURBONSA-N 2 1 345.531 3.321 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001713398926 1418019152 /nfs/dbraw/zinc/01/91/52/1418019152.db2.gz AUMIYOLFRJZBSO-RTBURBONSA-N 2 1 345.531 3.321 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001713794309 1418613382 /nfs/dbraw/zinc/61/33/82/1418613382.db2.gz MITNYNKGVIEWDH-IBGZPJMESA-N 2 1 335.536 3.023 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001713962536 1418742881 /nfs/dbraw/zinc/74/28/81/1418742881.db2.gz ARUWKFIWDSIQJQ-FQEVSTJZSA-N 2 1 349.563 3.413 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001714146504 1418951381 /nfs/dbraw/zinc/95/13/81/1418951381.db2.gz XJHNBAGNPGGRKK-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001714146504 1418951384 /nfs/dbraw/zinc/95/13/84/1418951384.db2.gz XJHNBAGNPGGRKK-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001714146504 1418951386 /nfs/dbraw/zinc/95/13/86/1418951386.db2.gz XJHNBAGNPGGRKK-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H](c1ccc2ccccc2c1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001714539915 1419266246 /nfs/dbraw/zinc/26/62/46/1419266246.db2.gz SDCKPRHQKARAJW-JXFKEZNVSA-N 2 1 339.483 3.043 20 0 EGADMP C[C@@H](c1ccc2ccccc2c1)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001714539915 1419266247 /nfs/dbraw/zinc/26/62/47/1419266247.db2.gz SDCKPRHQKARAJW-JXFKEZNVSA-N 2 1 339.483 3.043 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)[C@@H](C)c1cccc2ccccc21 ZINC001714565773 1419294391 /nfs/dbraw/zinc/29/43/91/1419294391.db2.gz KWAUUAPTWQEHRJ-KRWDZBQOSA-N 2 1 341.499 3.291 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)[C@@H](C)c1cccc2ccccc21 ZINC001714565773 1419294393 /nfs/dbraw/zinc/29/43/93/1419294393.db2.gz KWAUUAPTWQEHRJ-KRWDZBQOSA-N 2 1 341.499 3.291 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@@H](C)c1cccc2ccccc21 ZINC001714565773 1419294396 /nfs/dbraw/zinc/29/43/96/1419294396.db2.gz KWAUUAPTWQEHRJ-KRWDZBQOSA-N 2 1 341.499 3.291 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CC/C=C/c1ccccc1 ZINC001714572672 1419306302 /nfs/dbraw/zinc/30/63/02/1419306302.db2.gz QOFRGOQKORKFMO-LOULHMMLSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)CC/C=C/c1ccccc1 ZINC001714572672 1419306304 /nfs/dbraw/zinc/30/63/04/1419306304.db2.gz QOFRGOQKORKFMO-LOULHMMLSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@H](C(=O)NCC[N@@H+](CC)Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001714585750 1419328145 /nfs/dbraw/zinc/32/81/45/1419328145.db2.gz MXGMDAPFXPBGND-LJQANCHMSA-N 2 1 347.547 3.262 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)CC1CCCCCC1 ZINC001714586575 1419329216 /nfs/dbraw/zinc/32/92/16/1419329216.db2.gz RNVNEZRPIXSBRX-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)CC1CCCCCC1 ZINC001714586575 1419329211 /nfs/dbraw/zinc/32/92/11/1419329211.db2.gz RNVNEZRPIXSBRX-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)CC1CCCCCC1 ZINC001714586575 1419329213 /nfs/dbraw/zinc/32/92/13/1419329213.db2.gz RNVNEZRPIXSBRX-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH2+]Cc1ccc(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)cc1 ZINC001715198538 1419930650 /nfs/dbraw/zinc/93/06/50/1419930650.db2.gz ZCULVEQJJSGQNP-FQEVSTJZSA-N 2 1 339.483 3.105 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC2CCCCC2)C1 ZINC001715322264 1420029616 /nfs/dbraw/zinc/02/96/16/1420029616.db2.gz QDDXKNXVQDCKHZ-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccccc2C)C1 ZINC001715457572 1420138926 /nfs/dbraw/zinc/13/89/26/1420138926.db2.gz HMSARKUCTRQFQB-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP CN(CC[N@@H+](C)CC1CCCCCC1)C(=O)C[NH+](C)CC(C)(C)C ZINC001715534480 1420227894 /nfs/dbraw/zinc/22/78/94/1420227894.db2.gz WTDUSWDXNRRPRS-UHFFFAOYSA-N 2 1 339.568 3.325 20 0 EGADMP CN(CC[NH+](C)CC1CCCCCC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001715534480 1420227896 /nfs/dbraw/zinc/22/78/96/1420227896.db2.gz WTDUSWDXNRRPRS-UHFFFAOYSA-N 2 1 339.568 3.325 20 0 EGADMP CN(CC[NH+](C)CC1CCCCCC1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001715534480 1420227898 /nfs/dbraw/zinc/22/78/98/1420227898.db2.gz WTDUSWDXNRRPRS-UHFFFAOYSA-N 2 1 339.568 3.325 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001715961122 1420427864 /nfs/dbraw/zinc/42/78/64/1420427864.db2.gz ZMODZSJNOUDBPK-LPHOPBHVSA-N 2 1 349.494 3.009 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715961122 1420427867 /nfs/dbraw/zinc/42/78/67/1420427867.db2.gz ZMODZSJNOUDBPK-LPHOPBHVSA-N 2 1 349.494 3.009 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001715961122 1420427868 /nfs/dbraw/zinc/42/78/68/1420427868.db2.gz ZMODZSJNOUDBPK-LPHOPBHVSA-N 2 1 349.494 3.009 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH2+][C@H](C)c1ccccc1 ZINC001716220397 1420570501 /nfs/dbraw/zinc/57/05/01/1420570501.db2.gz PKLYEUQKVOANOK-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001716502225 1420729564 /nfs/dbraw/zinc/72/95/64/1420729564.db2.gz NUYYDTHBBMRGPW-ROUUACIJSA-N 2 1 345.531 3.305 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001716662917 1420816496 /nfs/dbraw/zinc/81/64/96/1420816496.db2.gz OUYCIFXZTWIXCB-RBUKOAKNSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001716662917 1420816500 /nfs/dbraw/zinc/81/65/00/1420816500.db2.gz OUYCIFXZTWIXCB-RBUKOAKNSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001716662917 1420816503 /nfs/dbraw/zinc/81/65/03/1420816503.db2.gz OUYCIFXZTWIXCB-RBUKOAKNSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](CCCC(C)(C)C)CC2)CC[N@H+]1C ZINC001716795513 1420928416 /nfs/dbraw/zinc/92/84/16/1420928416.db2.gz UQBMRHVGBXHORH-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001716877645 1421003105 /nfs/dbraw/zinc/00/31/05/1421003105.db2.gz FEAUGNGAEXNTEM-JXFKEZNVSA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)C[N@H+]1CCC[C@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001716903092 1421036229 /nfs/dbraw/zinc/03/62/29/1421036229.db2.gz WXIWGWBEYZOVNX-OAQYLSRUSA-N 2 1 345.531 3.236 20 0 EGADMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2C1)[NH+](CC)CC ZINC001717012422 1421077831 /nfs/dbraw/zinc/07/78/31/1421077831.db2.gz KGTDSGMTHSQUQV-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(C)cc2)[C@H](C)C1 ZINC001717334914 1421271541 /nfs/dbraw/zinc/27/15/41/1421271541.db2.gz BINUVSXPGTVUCB-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)[C@H](C)C1 ZINC001717334914 1421271542 /nfs/dbraw/zinc/27/15/42/1421271542.db2.gz BINUVSXPGTVUCB-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)[C@H](C)C1 ZINC001717334914 1421271544 /nfs/dbraw/zinc/27/15/44/1421271544.db2.gz BINUVSXPGTVUCB-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001717377364 1421319683 /nfs/dbraw/zinc/31/96/83/1421319683.db2.gz KDVPACYUWKQXPS-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC001717449665 1421379585 /nfs/dbraw/zinc/37/95/85/1421379585.db2.gz KNQLJCPPUMSOGG-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)c1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001717486263 1421422900 /nfs/dbraw/zinc/42/29/00/1421422900.db2.gz CKLVNFCVGDBBKN-KRWDZBQOSA-N 2 1 345.531 3.088 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CC3(C2)CCC[N@@H+](CCCC(C)(C)C)C3)CC1 ZINC001717629120 1421538286 /nfs/dbraw/zinc/53/82/86/1421538286.db2.gz KVWGWLGVSJVLGX-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H](C)C2)cc1 ZINC001723876106 1424594801 /nfs/dbraw/zinc/59/48/01/1424594801.db2.gz PVODMBJCKYFFPA-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C)CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001724023063 1424631695 /nfs/dbraw/zinc/63/16/95/1424631695.db2.gz OKDYDOOPKRGMMM-UHFFFAOYSA-N 2 1 345.531 3.116 20 0 EGADMP CCCc1ccc(C[NH+]2CC[C@](C)(NC(=O)C[N@H+](C)CCC)C2)cc1 ZINC001724185231 1424719562 /nfs/dbraw/zinc/71/95/62/1424719562.db2.gz WHGUWHOLEMMONM-NRFANRHFSA-N 2 1 345.531 3.062 20 0 EGADMP CCCc1ccc(C[N@H+]2CC[C@](C)(NC(=O)C[NH+](C)CCC)C2)cc1 ZINC001724185231 1424719569 /nfs/dbraw/zinc/71/95/69/1424719569.db2.gz WHGUWHOLEMMONM-NRFANRHFSA-N 2 1 345.531 3.062 20 0 EGADMP CCCc1ccc(C[N@@H+]2CC[C@](C)(NC(=O)C[NH+](C)CCC)C2)cc1 ZINC001724185231 1424719570 /nfs/dbraw/zinc/71/95/70/1424719570.db2.gz WHGUWHOLEMMONM-NRFANRHFSA-N 2 1 345.531 3.062 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@](C)(NC(=O)CC[NH+]3CCCCC3)C2)cs1 ZINC001724188739 1424721938 /nfs/dbraw/zinc/72/19/38/1424721938.db2.gz HWOXPKHYMXRFLS-IBGZPJMESA-N 2 1 349.544 3.013 20 0 EGADMP CN(CCC[N@@H+](C)CCC1CC1)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001724851597 1425215022 /nfs/dbraw/zinc/21/50/22/1425215022.db2.gz NLHZCMUZPKFUSA-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CN(CCC[NH+](C)CCC1CC1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001724851597 1425215024 /nfs/dbraw/zinc/21/50/24/1425215024.db2.gz NLHZCMUZPKFUSA-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CN(CCC[NH+](C)CCC1CC1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001724851597 1425215026 /nfs/dbraw/zinc/21/50/26/1425215026.db2.gz NLHZCMUZPKFUSA-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001724864405 1425247655 /nfs/dbraw/zinc/24/76/55/1425247655.db2.gz SXMRGFDWVRTRQY-RTBURBONSA-N 2 1 337.552 3.079 20 0 EGADMP CCc1ccccc1C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001725003200 1425414996 /nfs/dbraw/zinc/41/49/96/1425414996.db2.gz OLOZLTQJONPWLJ-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1c2ccccc2CC[N@@H+]1CCC(C)C)[NH+](C)C ZINC001725012154 1425427640 /nfs/dbraw/zinc/42/76/40/1425427640.db2.gz FYHDPFWYMVCZAH-WOJBJXKFSA-N 2 1 345.531 3.088 20 0 EGADMP CN(C(=O)CCc1cnc[nH]1)C1CC([NH2+]CCC2CCCCCC2)C1 ZINC001725777242 1426461153 /nfs/dbraw/zinc/46/11/53/1426461153.db2.gz DEOOMYHFPOACJL-UHFFFAOYSA-N 2 1 346.519 3.282 20 0 EGADMP C[C@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+][C@H](C)c1ccccc1 ZINC001731735327 1427815138 /nfs/dbraw/zinc/81/51/38/1427815138.db2.gz NGWSUALKKXNOFC-IAGOWNOFSA-N 2 1 333.520 3.210 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CCCCCC1)C1CC1 ZINC001731876086 1428139931 /nfs/dbraw/zinc/13/99/31/1428139931.db2.gz ZGHYRHJWMZHNHA-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC1CCCCCC1)C1CC1 ZINC001731876086 1428139935 /nfs/dbraw/zinc/13/99/35/1428139935.db2.gz ZGHYRHJWMZHNHA-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC1CCCCCC1)C1CC1 ZINC001731876086 1428139939 /nfs/dbraw/zinc/13/99/39/1428139939.db2.gz ZGHYRHJWMZHNHA-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001733857373 1437689359 /nfs/dbraw/zinc/68/93/59/1437689359.db2.gz JJQDGURXSGVDNP-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C[C@H](C)CC(C)C)CC1(C)C ZINC001733877689 1437704323 /nfs/dbraw/zinc/70/43/23/1437704323.db2.gz DKPAPYLNECDRRW-AEFFLSMTSA-N 2 1 348.535 3.090 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C[C@H](C)CC(C)C)CC1(C)C ZINC001733877689 1437704327 /nfs/dbraw/zinc/70/43/27/1437704327.db2.gz DKPAPYLNECDRRW-AEFFLSMTSA-N 2 1 348.535 3.090 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CC1CCCCCC1 ZINC001733897142 1437714189 /nfs/dbraw/zinc/71/41/89/1437714189.db2.gz CFCDHFXIDYRKDG-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cccc(C)c2)[C@@H](C)C1 ZINC001733901186 1437719214 /nfs/dbraw/zinc/71/92/14/1437719214.db2.gz MZGWXNGBXQFLQO-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)[C@@H](C)C1 ZINC001733901186 1437719216 /nfs/dbraw/zinc/71/92/16/1437719216.db2.gz MZGWXNGBXQFLQO-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C)c2)[C@@H](C)C1 ZINC001733901186 1437719217 /nfs/dbraw/zinc/71/92/17/1437719217.db2.gz MZGWXNGBXQFLQO-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](CC(C)C)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001733921043 1437735328 /nfs/dbraw/zinc/73/53/28/1437735328.db2.gz ZABPGSYDBGNGOL-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001733944879 1437760527 /nfs/dbraw/zinc/76/05/27/1437760527.db2.gz XNCXILLNMIIADQ-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC([N@H+](C)CCCC2CCCC2)CC1 ZINC001734273952 1438007289 /nfs/dbraw/zinc/00/72/89/1438007289.db2.gz CQPQFELSPVNIAO-UHFFFAOYSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC([N@@H+](C)CCCC2CCCC2)CC1 ZINC001734273952 1438007291 /nfs/dbraw/zinc/00/72/91/1438007291.db2.gz CQPQFELSPVNIAO-UHFFFAOYSA-N 2 1 346.519 3.085 20 0 EGADMP C[C@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@H+]1CCC1CCCC1 ZINC001734462640 1438119260 /nfs/dbraw/zinc/11/92/60/1438119260.db2.gz UNIPWQOKOUONQT-QFBILLFUSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCC[NH+]1CCC1CCCC1 ZINC001734462640 1438119261 /nfs/dbraw/zinc/11/92/61/1438119261.db2.gz UNIPWQOKOUONQT-QFBILLFUSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCC[NH+]1CCC1CCCC1 ZINC001734462640 1438119262 /nfs/dbraw/zinc/11/92/62/1438119262.db2.gz UNIPWQOKOUONQT-QFBILLFUSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001752159339 1440148519 /nfs/dbraw/zinc/14/85/19/1440148519.db2.gz PKRXVCDHCNADIV-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CCCC(C)(C)C)CC2)CC[N@H+]1C ZINC001752301715 1440167964 /nfs/dbraw/zinc/16/79/64/1440167964.db2.gz PYSULFDKMKPVGL-SJLPKXTDSA-N 2 1 337.552 3.076 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001752432345 1440178859 /nfs/dbraw/zinc/17/88/59/1440178859.db2.gz TZWGXTRXSIBQLK-OALUTQOASA-N 2 1 343.515 3.060 20 0 EGADMP CCCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001752707836 1440203028 /nfs/dbraw/zinc/20/30/28/1440203028.db2.gz QDYSPUYJDSZJRR-VQTJNVASSA-N 2 1 349.563 3.366 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@@H+](CCCC3CCCC3)C2)CCC1 ZINC001752783579 1440210001 /nfs/dbraw/zinc/21/00/01/1440210001.db2.gz KPKNHMCHYYCNAA-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001752820453 1440220196 /nfs/dbraw/zinc/22/01/96/1440220196.db2.gz MSKVGSUMZGSYTE-MRNGTQDMSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001752820453 1440220197 /nfs/dbraw/zinc/22/01/97/1440220197.db2.gz MSKVGSUMZGSYTE-MRNGTQDMSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001752820453 1440220198 /nfs/dbraw/zinc/22/01/98/1440220198.db2.gz MSKVGSUMZGSYTE-MRNGTQDMSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCCC1)[NH+](C)C ZINC001752822243 1440221149 /nfs/dbraw/zinc/22/11/49/1440221149.db2.gz CKAQPZCTOPUOPC-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001752840229 1440230011 /nfs/dbraw/zinc/23/00/11/1440230011.db2.gz JVOMFGGSSLNHTL-FXAWDEMLSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001752842397 1440231490 /nfs/dbraw/zinc/23/14/90/1440231490.db2.gz ZGDYEWKODXCFBZ-WYNBNGFRSA-N 2 1 347.547 3.045 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC001752875560 1440237810 /nfs/dbraw/zinc/23/78/10/1440237810.db2.gz KJBZRRRENPDBFP-ZIAGYGMSSA-N 2 1 348.516 3.061 20 0 EGADMP C[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH2+]CCC1CCCCC1 ZINC001752921634 1440248756 /nfs/dbraw/zinc/24/87/56/1440248756.db2.gz WBPNWUVJJCQNFJ-PXNSSMCTSA-N 2 1 345.531 3.354 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001752939251 1440250788 /nfs/dbraw/zinc/25/07/88/1440250788.db2.gz YGDLFCFBOAJOLD-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)=CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001752983419 1440257479 /nfs/dbraw/zinc/25/74/79/1440257479.db2.gz KFFGLBBJONAUSU-PMACEKPBSA-N 2 1 343.515 3.102 20 0 EGADMP CC(C)=CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001752983419 1440257480 /nfs/dbraw/zinc/25/74/80/1440257480.db2.gz KFFGLBBJONAUSU-PMACEKPBSA-N 2 1 343.515 3.102 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001753007095 1440266086 /nfs/dbraw/zinc/26/60/86/1440266086.db2.gz ARXPUFGEKDQNTL-QUCCMNQESA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001753027310 1440271710 /nfs/dbraw/zinc/27/17/10/1440271710.db2.gz IEGZPPQXYFJOOL-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001753027310 1440271711 /nfs/dbraw/zinc/27/17/11/1440271711.db2.gz IEGZPPQXYFJOOL-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001753027310 1440271712 /nfs/dbraw/zinc/27/17/12/1440271712.db2.gz IEGZPPQXYFJOOL-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CCC1 ZINC001753028495 1440272286 /nfs/dbraw/zinc/27/22/86/1440272286.db2.gz HSAACGRRNRAHDZ-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCC1 ZINC001753028495 1440272287 /nfs/dbraw/zinc/27/22/87/1440272287.db2.gz HSAACGRRNRAHDZ-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC1CCC1 ZINC001753028495 1440272288 /nfs/dbraw/zinc/27/22/88/1440272288.db2.gz HSAACGRRNRAHDZ-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[C@H](C(=O)NCC[N@@H+](C)CCCC(C)(C)C)[NH+]1CCCCC1 ZINC001753074921 1440290828 /nfs/dbraw/zinc/29/08/28/1440290828.db2.gz WNUHWRPAYNEDKM-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001753107557 1440306766 /nfs/dbraw/zinc/30/67/66/1440306766.db2.gz GLGVTIROKRJXMO-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)[NH+](CC)CC ZINC001753112269 1440309013 /nfs/dbraw/zinc/30/90/13/1440309013.db2.gz ZLTSFEYJMYCAKN-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001753135018 1440318499 /nfs/dbraw/zinc/31/84/99/1440318499.db2.gz HAWQRPWSKZAEDE-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1ccc(C)cc1 ZINC001753146942 1440324965 /nfs/dbraw/zinc/32/49/65/1440324965.db2.gz NFCVTIGCLAGHNI-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)Cc1ccc(C)cc1 ZINC001753146942 1440324966 /nfs/dbraw/zinc/32/49/66/1440324966.db2.gz NFCVTIGCLAGHNI-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1ccc(C)cc1 ZINC001753146942 1440324967 /nfs/dbraw/zinc/32/49/67/1440324967.db2.gz NFCVTIGCLAGHNI-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)CCC1=CCCCC1 ZINC001753147418 1440325207 /nfs/dbraw/zinc/32/52/07/1440325207.db2.gz CMJILUHPGOBPOL-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCC1)c1ccccc1 ZINC001753298526 1440353329 /nfs/dbraw/zinc/35/33/29/1440353329.db2.gz JDZCWXPJNKJAFJ-UXHICEINSA-N 2 1 343.515 3.106 20 0 EGADMP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2cccc(CC)c2)C1 ZINC001753325741 1440366435 /nfs/dbraw/zinc/36/64/35/1440366435.db2.gz CXOJWWFOZQACBF-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001753326692 1440367099 /nfs/dbraw/zinc/36/70/99/1440367099.db2.gz IJGSHYGKDJOYPI-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001753328776 1440368096 /nfs/dbraw/zinc/36/80/96/1440368096.db2.gz ZWQOZUHOADSJEF-MJGOQNOKSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001753328776 1440368097 /nfs/dbraw/zinc/36/80/97/1440368097.db2.gz ZWQOZUHOADSJEF-MJGOQNOKSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001753328776 1440368098 /nfs/dbraw/zinc/36/80/98/1440368098.db2.gz ZWQOZUHOADSJEF-MJGOQNOKSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC[C@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001753341124 1440375573 /nfs/dbraw/zinc/37/55/73/1440375573.db2.gz RCHXZNBVIZHNNP-IRXDYDNUSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC[C@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001753341124 1440375574 /nfs/dbraw/zinc/37/55/74/1440375574.db2.gz RCHXZNBVIZHNNP-IRXDYDNUSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC[C@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001753341124 1440375575 /nfs/dbraw/zinc/37/55/75/1440375575.db2.gz RCHXZNBVIZHNNP-IRXDYDNUSA-N 2 1 349.494 3.055 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001753359015 1440381467 /nfs/dbraw/zinc/38/14/67/1440381467.db2.gz DPFBFRRSSWWPSU-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001753359015 1440381468 /nfs/dbraw/zinc/38/14/68/1440381468.db2.gz DPFBFRRSSWWPSU-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001753359015 1440381469 /nfs/dbraw/zinc/38/14/69/1440381469.db2.gz DPFBFRRSSWWPSU-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CC/C=C\CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001753359871 1440382154 /nfs/dbraw/zinc/38/21/54/1440382154.db2.gz MVNCQUVYYUWCIK-SLVIYJBESA-N 2 1 349.563 3.243 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(Cc1ccccc1)[C@H]1CCC[NH+](CC)C1 ZINC001753361373 1440383077 /nfs/dbraw/zinc/38/30/77/1440383077.db2.gz DSCZRGCXNHNZFT-FQEVSTJZSA-N 2 1 345.531 3.231 20 0 EGADMP CCC[NH+](C)CCC(=O)N(Cc1ccccc1)[C@H]1CCC[N@H+](CC)C1 ZINC001753361373 1440383078 /nfs/dbraw/zinc/38/30/78/1440383078.db2.gz DSCZRGCXNHNZFT-FQEVSTJZSA-N 2 1 345.531 3.231 20 0 EGADMP CCC[NH+](C)CCC(=O)N(Cc1ccccc1)[C@H]1CCC[N@@H+](CC)C1 ZINC001753361373 1440383079 /nfs/dbraw/zinc/38/30/79/1440383079.db2.gz DSCZRGCXNHNZFT-FQEVSTJZSA-N 2 1 345.531 3.231 20 0 EGADMP C[N@@H+](CCCC1CCC1)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001753366339 1440385450 /nfs/dbraw/zinc/38/54/50/1440385450.db2.gz WTHJVLYAYJVZNM-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)=CC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001753367058 1440385994 /nfs/dbraw/zinc/38/59/94/1440385994.db2.gz UMYWTVLAQGRMCF-HXUWFJFHSA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)=CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001753367058 1440385995 /nfs/dbraw/zinc/38/59/95/1440385995.db2.gz UMYWTVLAQGRMCF-HXUWFJFHSA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)=CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001753367058 1440385996 /nfs/dbraw/zinc/38/59/96/1440385996.db2.gz UMYWTVLAQGRMCF-HXUWFJFHSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001753428813 1440397729 /nfs/dbraw/zinc/39/77/29/1440397729.db2.gz WITIEIXXGAQVFC-CZHQAMEJSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001753428813 1440397730 /nfs/dbraw/zinc/39/77/30/1440397730.db2.gz WITIEIXXGAQVFC-CZHQAMEJSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001753428813 1440397731 /nfs/dbraw/zinc/39/77/31/1440397731.db2.gz WITIEIXXGAQVFC-CZHQAMEJSA-N 2 1 347.547 3.188 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C2)cc1 ZINC001753443790 1440402899 /nfs/dbraw/zinc/40/28/99/1440402899.db2.gz DMXYMDQCZDOKOV-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)C2)cc1 ZINC001753443790 1440402900 /nfs/dbraw/zinc/40/29/00/1440402900.db2.gz DMXYMDQCZDOKOV-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C2)cc1 ZINC001753443790 1440402901 /nfs/dbraw/zinc/40/29/01/1440402901.db2.gz DMXYMDQCZDOKOV-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001753461104 1440410808 /nfs/dbraw/zinc/41/08/08/1440410808.db2.gz DLRDSDJJMWYXJQ-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001753461104 1440410809 /nfs/dbraw/zinc/41/08/09/1440410809.db2.gz DLRDSDJJMWYXJQ-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001753461104 1440410810 /nfs/dbraw/zinc/41/08/10/1440410810.db2.gz DLRDSDJJMWYXJQ-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]([NH2+]CC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC001753510271 1440425694 /nfs/dbraw/zinc/42/56/94/1440425694.db2.gz NUCCDSACJDWNDE-ZWKOTPCHSA-N 2 1 343.515 3.108 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CC[NH2+]CCC3CCCC3)C2)CC[N@H+]1C ZINC001753547398 1440434375 /nfs/dbraw/zinc/43/43/75/1440434375.db2.gz BWSOEYNCCRLBJD-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H](C)F)CC1 ZINC001753585168 1440441139 /nfs/dbraw/zinc/44/11/39/1440441139.db2.gz WMNJGMFSYPDCTK-XLAORIBOSA-N 2 1 341.515 3.014 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001753585197 1440441198 /nfs/dbraw/zinc/44/11/98/1440441198.db2.gz XFSGOJYPPNPCAO-OISZBXDOSA-N 2 1 335.536 3.092 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001753587357 1440441713 /nfs/dbraw/zinc/44/17/13/1440441713.db2.gz SVXZOIIIOGWOEI-NCXUSEDFSA-N 2 1 337.552 3.027 20 0 EGADMP CC[C@H](C)C[NH+]1CCC(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001753595429 1440444523 /nfs/dbraw/zinc/44/45/23/1440444523.db2.gz XUMOWMZWCKFTHL-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC1CC[NH+](CC2=CCCCC2)CC1 ZINC001753595948 1440444637 /nfs/dbraw/zinc/44/46/37/1440444637.db2.gz NSNHICCZWOYIMQ-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001753599654 1440446087 /nfs/dbraw/zinc/44/60/87/1440446087.db2.gz SBJSROLDOGOHDR-GOSISDBHSA-N 2 1 345.531 3.308 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001753702134 1440468763 /nfs/dbraw/zinc/46/87/63/1440468763.db2.gz UUJIMLZKROUDGO-ICSRJNTNSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001753740724 1440479098 /nfs/dbraw/zinc/47/90/98/1440479098.db2.gz ZYYASLMLCNORIF-RBUKOAKNSA-N 2 1 337.552 3.336 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CC[NH2+]CC2=CCCCC2)C1 ZINC001753798261 1440490251 /nfs/dbraw/zinc/49/02/51/1440490251.db2.gz WJYAJVXIOWDEGO-UYAOXDASSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001753814967 1440493568 /nfs/dbraw/zinc/49/35/68/1440493568.db2.gz HWDFPKLRQDGPOW-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CCCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001753823654 1440497506 /nfs/dbraw/zinc/49/75/06/1440497506.db2.gz MOKNTWGDGQHBKO-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001753823654 1440497507 /nfs/dbraw/zinc/49/75/07/1440497507.db2.gz MOKNTWGDGQHBKO-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001753823654 1440497508 /nfs/dbraw/zinc/49/75/08/1440497508.db2.gz MOKNTWGDGQHBKO-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]([NH2+]Cc2ccccc2)C(C)C)C1 ZINC001753837748 1440501684 /nfs/dbraw/zinc/50/16/84/1440501684.db2.gz OSHFTDYEAANFIG-UXHICEINSA-N 2 1 345.531 3.039 20 0 EGADMP CC(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC1CCCCC1 ZINC001753839659 1440502292 /nfs/dbraw/zinc/50/22/92/1440502292.db2.gz YYRMBZBAXKCJOH-WDSOQIARSA-N 2 1 337.552 3.027 20 0 EGADMP CCN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)C[N@@H+](C)C1CCC1 ZINC001754050191 1440535717 /nfs/dbraw/zinc/53/57/17/1440535717.db2.gz NHPNIQPYOMHHOJ-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001754120360 1440542684 /nfs/dbraw/zinc/54/26/84/1440542684.db2.gz SCAWZIJEYMFHQK-ASEMBFHNSA-N 2 1 347.478 3.022 20 0 EGADMP C[C@H](C[N@@H+](C)CCC1=CCCCC1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001754325522 1440580259 /nfs/dbraw/zinc/58/02/59/1440580259.db2.gz QLERXYFGTHLOQZ-QGZVFWFLSA-N 2 1 337.552 3.291 20 0 EGADMP C[C@H](C[NH+](C)CCC1=CCCCC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001754325522 1440580260 /nfs/dbraw/zinc/58/02/60/1440580260.db2.gz QLERXYFGTHLOQZ-QGZVFWFLSA-N 2 1 337.552 3.291 20 0 EGADMP C[C@H](C[NH+](C)CCC1=CCCCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001754325522 1440580261 /nfs/dbraw/zinc/58/02/61/1440580261.db2.gz QLERXYFGTHLOQZ-QGZVFWFLSA-N 2 1 337.552 3.291 20 0 EGADMP C[C@H](C[N@@H+](C)Cc1ccsc1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001754335415 1440586229 /nfs/dbraw/zinc/58/62/29/1440586229.db2.gz CHKDRRUVSNBEGF-OAHLLOKOSA-N 2 1 345.512 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001754354529 1440591368 /nfs/dbraw/zinc/59/13/68/1440591368.db2.gz SWQIZFPQBIQJGM-IRXDYDNUSA-N 2 1 325.541 3.029 20 0 EGADMP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001754538606 1440625462 /nfs/dbraw/zinc/62/54/62/1440625462.db2.gz MYURBCBSAMUVLO-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CC1CC(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001754544076 1440626761 /nfs/dbraw/zinc/62/67/61/1440626761.db2.gz KMWNOZFOLGMZBJ-GMNCBBECSA-N 2 1 349.563 3.076 20 0 EGADMP CC1CC(C[NH+]2CC[C@H]3CC[C@@H](C2)N3C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001754544076 1440626762 /nfs/dbraw/zinc/62/67/62/1440626762.db2.gz KMWNOZFOLGMZBJ-GMNCBBECSA-N 2 1 349.563 3.076 20 0 EGADMP CC1CC(C[NH+]2CC[C@H]3CC[C@@H](C2)N3C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001754544076 1440626763 /nfs/dbraw/zinc/62/67/63/1440626763.db2.gz KMWNOZFOLGMZBJ-GMNCBBECSA-N 2 1 349.563 3.076 20 0 EGADMP CCC/C=C/CC[NH+]1CC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001754583808 1440639192 /nfs/dbraw/zinc/63/91/92/1440639192.db2.gz LPAHEFIQCZUFOC-BQYQJAHWSA-N 2 1 343.515 3.251 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C1C[NH+](CC[C@@H]2CCC[C@H](C)C2)C1 ZINC001754586766 1440639958 /nfs/dbraw/zinc/63/99/58/1440639958.db2.gz ZCQNDPPEACGDFO-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001754609689 1440643632 /nfs/dbraw/zinc/64/36/32/1440643632.db2.gz KWXVDUUPGXBPGV-YBXURTSQSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001754626889 1440646501 /nfs/dbraw/zinc/64/65/01/1440646501.db2.gz RMBUKMHNERWHIS-QGZVFWFLSA-N 2 1 343.515 3.203 20 0 EGADMP CCCCCC[N@H+]1CCC[C@@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001754732174 1440680059 /nfs/dbraw/zinc/68/00/59/1440680059.db2.gz OYPCRZWBGVWQLS-ICSRJNTNSA-N 2 1 337.552 3.127 20 0 EGADMP CCCCCC[NH+]1CCC[C@@](C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001754732174 1440680060 /nfs/dbraw/zinc/68/00/60/1440680060.db2.gz OYPCRZWBGVWQLS-ICSRJNTNSA-N 2 1 337.552 3.127 20 0 EGADMP CCCCCC[NH+]1CCC[C@@](C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001754732174 1440680061 /nfs/dbraw/zinc/68/00/61/1440680061.db2.gz OYPCRZWBGVWQLS-ICSRJNTNSA-N 2 1 337.552 3.127 20 0 EGADMP CCCCCC[N@H+]1CCC[C@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001754732173 1440680087 /nfs/dbraw/zinc/68/00/87/1440680087.db2.gz OYPCRZWBGVWQLS-AZUAARDMSA-N 2 1 337.552 3.127 20 0 EGADMP CCCCCC[NH+]1CCC[C@](C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001754732173 1440680088 /nfs/dbraw/zinc/68/00/88/1440680088.db2.gz OYPCRZWBGVWQLS-AZUAARDMSA-N 2 1 337.552 3.127 20 0 EGADMP CCCCCC[NH+]1CCC[C@](C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001754732173 1440680089 /nfs/dbraw/zinc/68/00/89/1440680089.db2.gz OYPCRZWBGVWQLS-AZUAARDMSA-N 2 1 337.552 3.127 20 0 EGADMP CCCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001754802394 1440690511 /nfs/dbraw/zinc/69/05/11/1440690511.db2.gz BDKBKWDOWMTNQI-DLBZAZTESA-N 2 1 334.508 3.023 20 0 EGADMP CC/C=C\CC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001754802998 1440690636 /nfs/dbraw/zinc/69/06/36/1440690636.db2.gz JBFOGXRIUWJDMP-DFOOCIKTSA-N 2 1 346.519 3.189 20 0 EGADMP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001754831712 1440695681 /nfs/dbraw/zinc/69/56/81/1440695681.db2.gz LTZYKYAWXCJVQK-HAGHYFMRSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001754831712 1440695682 /nfs/dbraw/zinc/69/56/82/1440695682.db2.gz LTZYKYAWXCJVQK-HAGHYFMRSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001754831712 1440695683 /nfs/dbraw/zinc/69/56/83/1440695683.db2.gz LTZYKYAWXCJVQK-HAGHYFMRSA-N 2 1 347.547 3.186 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCCC(C)C)CC[N@H+]1C ZINC001754864227 1440702146 /nfs/dbraw/zinc/70/21/46/1440702146.db2.gz AFURHDZLOWTFMA-ZGXWSNOMSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCCC(C)C)CC[NH+]1C ZINC001754864227 1440702147 /nfs/dbraw/zinc/70/21/47/1440702147.db2.gz AFURHDZLOWTFMA-ZGXWSNOMSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCCC(C)C)CC[NH+]1C ZINC001754864227 1440702148 /nfs/dbraw/zinc/70/21/48/1440702148.db2.gz AFURHDZLOWTFMA-ZGXWSNOMSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001754951433 1440715090 /nfs/dbraw/zinc/71/50/90/1440715090.db2.gz SYZDPGQJCHWWQW-OXQOHEQNSA-N 2 1 345.531 3.341 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1 ZINC001754953970 1440715783 /nfs/dbraw/zinc/71/57/83/1440715783.db2.gz SRWNXFAXBLTGFL-VAMGGRTRSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001754959308 1440717134 /nfs/dbraw/zinc/71/71/34/1440717134.db2.gz ZXSHFQLCLOWYNW-MISYRCLQSA-N 2 1 345.531 3.210 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001755034571 1440733544 /nfs/dbraw/zinc/73/35/44/1440733544.db2.gz UASAZAPUFDFHTR-WOJBJXKFSA-N 2 1 343.515 3.226 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001755034571 1440733545 /nfs/dbraw/zinc/73/35/45/1440733545.db2.gz UASAZAPUFDFHTR-WOJBJXKFSA-N 2 1 343.515 3.226 20 0 EGADMP CC[C@H](C(=O)NCc1ccc2c(c1)C[N@@H+](C(C)C)C2)[NH+](CC)CC ZINC001755102122 1440753275 /nfs/dbraw/zinc/75/32/75/1440753275.db2.gz IONXEHDBMFVIAM-LJQANCHMSA-N 2 1 331.504 3.147 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC(C)([NH2+]CCC2CCCC2)CC1 ZINC001755135234 1440757922 /nfs/dbraw/zinc/75/79/22/1440757922.db2.gz IGUJLTLMBLMQKB-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001755162969 1440765594 /nfs/dbraw/zinc/76/55/94/1440765594.db2.gz BOYJRNXEROJVJB-PKOBYXMFSA-N 2 1 345.531 3.231 20 0 EGADMP CC[N@@H+](CC(C)C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001755183723 1440772100 /nfs/dbraw/zinc/77/21/00/1440772100.db2.gz PAFPVHPKYSUMAV-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC(C)C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001755183723 1440772101 /nfs/dbraw/zinc/77/21/01/1440772101.db2.gz PAFPVHPKYSUMAV-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC(C)C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001755183723 1440772102 /nfs/dbraw/zinc/77/21/02/1440772102.db2.gz PAFPVHPKYSUMAV-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001755193610 1440775703 /nfs/dbraw/zinc/77/57/03/1440775703.db2.gz CLBZONZAIXVUHT-SFFCAUCYSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)Cc1cc(C)cc(C)c1 ZINC001755202082 1440780342 /nfs/dbraw/zinc/78/03/42/1440780342.db2.gz ZBTZDSHTFPDUJM-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC001755264277 1440795540 /nfs/dbraw/zinc/79/55/40/1440795540.db2.gz TWCWYIDWOXANBV-GJZGRUSLSA-N 2 1 347.528 3.226 20 0 EGADMP CC(C)CC[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001755275707 1440798920 /nfs/dbraw/zinc/79/89/20/1440798920.db2.gz CMTRQOOEJCYUHS-UHFFFAOYSA-N 2 1 339.568 3.370 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCCC[N@H+]2CC2=CCCCC2)CC1 ZINC001755367601 1440835317 /nfs/dbraw/zinc/83/53/17/1440835317.db2.gz GDQZZZPAQYRZGG-IBGZPJMESA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)CC1(C)C ZINC001755414050 1440847883 /nfs/dbraw/zinc/84/78/83/1440847883.db2.gz OMOQQSOOKVFRGW-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1)c1ccccc1 ZINC001755473806 1440859211 /nfs/dbraw/zinc/85/92/11/1440859211.db2.gz XSBKHLADELLBOL-HNBVOPMISA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CCCCC1 ZINC001755498627 1440862382 /nfs/dbraw/zinc/86/23/82/1440862382.db2.gz MPFAZQBMFMDSCV-HKUYNNGSSA-N 2 1 337.552 3.314 20 0 EGADMP C[NH+](CC(=O)N1CCC([N@H+](C)CCCC2CCCC2)CC1)C1CCC1 ZINC001755530598 1440867185 /nfs/dbraw/zinc/86/71/85/1440867185.db2.gz JKNPYEFIGNDYRA-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC(=O)N1CCC([N@@H+](C)CCCC2CCCC2)CC1)C1CCC1 ZINC001755530598 1440867186 /nfs/dbraw/zinc/86/71/86/1440867186.db2.gz JKNPYEFIGNDYRA-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001755536101 1440869586 /nfs/dbraw/zinc/86/95/86/1440869586.db2.gz HGLZCOTVVBKVSG-INIZCTEOSA-N 2 1 349.494 3.150 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([N@H+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001755536101 1440869587 /nfs/dbraw/zinc/86/95/87/1440869587.db2.gz HGLZCOTVVBKVSG-INIZCTEOSA-N 2 1 349.494 3.150 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([N@@H+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001755536101 1440869588 /nfs/dbraw/zinc/86/95/88/1440869588.db2.gz HGLZCOTVVBKVSG-INIZCTEOSA-N 2 1 349.494 3.150 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001755561429 1440874700 /nfs/dbraw/zinc/87/47/00/1440874700.db2.gz UFRGUJABJMHTNI-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001755701784 1440900441 /nfs/dbraw/zinc/90/04/41/1440900441.db2.gz RPRZGMXNUIPVPH-QKNQBKEWSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC001755701784 1440900442 /nfs/dbraw/zinc/90/04/42/1440900442.db2.gz RPRZGMXNUIPVPH-QKNQBKEWSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC001755701784 1440900443 /nfs/dbraw/zinc/90/04/43/1440900443.db2.gz RPRZGMXNUIPVPH-QKNQBKEWSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC001755703362 1440901384 /nfs/dbraw/zinc/90/13/84/1440901384.db2.gz XMPQIELBBNJNJK-XSYGEPLQSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC001755703362 1440901385 /nfs/dbraw/zinc/90/13/85/1440901385.db2.gz XMPQIELBBNJNJK-XSYGEPLQSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC001755703362 1440901386 /nfs/dbraw/zinc/90/13/86/1440901386.db2.gz XMPQIELBBNJNJK-XSYGEPLQSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001755722817 1440908149 /nfs/dbraw/zinc/90/81/49/1440908149.db2.gz OSCZOTCMHHBPHC-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001755764087 1440915693 /nfs/dbraw/zinc/91/56/93/1440915693.db2.gz YZGPFRGGUUJOLB-CRAIPNDOSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C(C)(C)C1 ZINC001755765509 1440916058 /nfs/dbraw/zinc/91/60/58/1440916058.db2.gz QRVBPPOIZDPJBT-QAPCUYQASA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H](CC)c2ccccc2)C(C)(C)C1 ZINC001755765559 1440916102 /nfs/dbraw/zinc/91/61/02/1440916102.db2.gz RMAAPVKWALEJTI-RBUKOAKNSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)N(CC[N@@H+](C)[C@H]1CCc2ccccc21)C(=O)CCC[NH+](C)C ZINC001755811844 1440920809 /nfs/dbraw/zinc/92/08/09/1440920809.db2.gz CJOLAHYLDHRRAV-FQEVSTJZSA-N 2 1 345.531 3.185 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001755886976 1440940499 /nfs/dbraw/zinc/94/04/99/1440940499.db2.gz BJKVYLKHTIQISS-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)NCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001755886976 1440940500 /nfs/dbraw/zinc/94/05/00/1440940500.db2.gz BJKVYLKHTIQISS-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)NCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001755886976 1440940501 /nfs/dbraw/zinc/94/05/01/1440940501.db2.gz BJKVYLKHTIQISS-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCC2=CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001755894900 1440942612 /nfs/dbraw/zinc/94/26/12/1440942612.db2.gz OXICIUGUZUMSOZ-SFHVURJKSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NCC2=CC[N@H+](CC3CCCCCC3)CC2)C1 ZINC001755894900 1440942613 /nfs/dbraw/zinc/94/26/13/1440942613.db2.gz OXICIUGUZUMSOZ-SFHVURJKSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NCC2=CC[N@@H+](CC3CCCCCC3)CC2)C1 ZINC001755894900 1440942614 /nfs/dbraw/zinc/94/26/14/1440942614.db2.gz OXICIUGUZUMSOZ-SFHVURJKSA-N 2 1 347.547 3.047 20 0 EGADMP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCn3c(c[nH+]c3C)C2)nc1 ZINC001164448965 718992099 /nfs/dbraw/zinc/99/20/99/718992099.db2.gz KONRVYSHGQOLCM-SFHVURJKSA-N 2 1 325.460 3.154 20 0 EGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCn3c(c[nH+]c3C)C2)nc1 ZINC001164448965 718992104 /nfs/dbraw/zinc/99/21/04/718992104.db2.gz KONRVYSHGQOLCM-SFHVURJKSA-N 2 1 325.460 3.154 20 0 EGADMP Cc1nc(C[N@H+]2CCCC23CCN(c2cccc(N)[nH+]2)CC3)cs1 ZINC001164692210 719805919 /nfs/dbraw/zinc/80/59/19/719805919.db2.gz LNFLRUYPRMZYEA-UHFFFAOYSA-N 2 1 343.500 3.064 20 0 EGADMP COc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1OC(F)F ZINC000368949370 168384419 /nfs/dbraw/zinc/38/44/19/168384419.db2.gz IEMBPTWUYPGYAZ-UHFFFAOYSA-N 2 1 340.414 3.357 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000177927012 232035272 /nfs/dbraw/zinc/03/52/72/232035272.db2.gz QTRZTWUCDZZJPY-IOASZLSFSA-N 2 1 341.293 3.146 20 0 EGADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128299868 222935542 /nfs/dbraw/zinc/93/55/42/222935542.db2.gz CSXQMQODHMHBFS-KRWDZBQOSA-N 2 1 329.488 3.419 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000132239216 223312760 /nfs/dbraw/zinc/31/27/60/223312760.db2.gz KUKMVYCYKNKYEG-VXGBXAGGSA-N 2 1 334.261 3.166 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000132239216 223312762 /nfs/dbraw/zinc/31/27/62/223312762.db2.gz KUKMVYCYKNKYEG-VXGBXAGGSA-N 2 1 334.261 3.166 20 0 EGADMP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000262713394 245138172 /nfs/dbraw/zinc/13/81/72/245138172.db2.gz SIBPUJYEYRNLIP-FQEVSTJZSA-N 2 1 343.471 3.045 20 0 EGADMP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000262713394 245138178 /nfs/dbraw/zinc/13/81/78/245138178.db2.gz SIBPUJYEYRNLIP-FQEVSTJZSA-N 2 1 343.471 3.045 20 0 EGADMP Cc1ccccc1Cc1noc(C[NH+]2CCC(CC[NH+](C)C)CC2)n1 ZINC000079437696 217224906 /nfs/dbraw/zinc/22/49/06/217224906.db2.gz OGDSYCVFMITCOH-UHFFFAOYSA-N 2 1 342.487 3.133 20 0 EGADMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cc4ccccc4[nH]c3=O)C2)[nH+]1 ZINC000111212966 220112999 /nfs/dbraw/zinc/11/29/99/220112999.db2.gz GFNJOGZZPJWKOR-INIZCTEOSA-N 2 1 348.450 3.166 20 0 EGADMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cc4ccccc4[nH]c3=O)C2)[nH+]1 ZINC000111212966 220113000 /nfs/dbraw/zinc/11/30/00/220113000.db2.gz GFNJOGZZPJWKOR-INIZCTEOSA-N 2 1 348.450 3.166 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC000344742671 284368830 /nfs/dbraw/zinc/36/88/30/284368830.db2.gz QRNFKUIFEGNVGU-XLIONFOSSA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC000344742671 284368833 /nfs/dbraw/zinc/36/88/33/284368833.db2.gz QRNFKUIFEGNVGU-XLIONFOSSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC000344742671 284368834 /nfs/dbraw/zinc/36/88/34/284368834.db2.gz QRNFKUIFEGNVGU-XLIONFOSSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC000344742671 284368835 /nfs/dbraw/zinc/36/88/35/284368835.db2.gz QRNFKUIFEGNVGU-XLIONFOSSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000265027230 247144082 /nfs/dbraw/zinc/14/40/82/247144082.db2.gz HVUQKOYTSFQFJK-FUHIMQAGSA-N 2 1 334.479 3.446 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000265027230 247144088 /nfs/dbraw/zinc/14/40/88/247144088.db2.gz HVUQKOYTSFQFJK-FUHIMQAGSA-N 2 1 334.479 3.446 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000265027230 247144090 /nfs/dbraw/zinc/14/40/90/247144090.db2.gz HVUQKOYTSFQFJK-FUHIMQAGSA-N 2 1 334.479 3.446 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000265027230 247144093 /nfs/dbraw/zinc/14/40/93/247144093.db2.gz HVUQKOYTSFQFJK-FUHIMQAGSA-N 2 1 334.479 3.446 20 0 EGADMP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000266189723 248159401 /nfs/dbraw/zinc/15/94/01/248159401.db2.gz XYRTXMHKNRSUJS-IBGZPJMESA-N 2 1 330.497 3.210 20 0 EGADMP C[N@@H+](CCC[NH2+]C1CCN(c2nccs2)CC1)C1CCCCC1 ZINC000378584246 169142267 /nfs/dbraw/zinc/14/22/67/169142267.db2.gz SJHSCYBSRNMTPS-UHFFFAOYSA-N 2 1 336.549 3.356 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)s1 ZINC000092746094 218163587 /nfs/dbraw/zinc/16/35/87/218163587.db2.gz GUPPGCVYIRLTQP-CHWSQXEVSA-N 2 1 336.505 3.132 20 0 EGADMP COc1sc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1Br ZINC000093088798 218192622 /nfs/dbraw/zinc/19/26/22/218192622.db2.gz WYRPLYXNIWIAEO-UHFFFAOYSA-N 2 1 347.322 3.293 20 0 EGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268760874 252210144 /nfs/dbraw/zinc/21/01/44/252210144.db2.gz LMTUUUOPUJGYFP-OAHLLOKOSA-N 2 1 332.492 3.351 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268760874 252210148 /nfs/dbraw/zinc/21/01/48/252210148.db2.gz LMTUUUOPUJGYFP-OAHLLOKOSA-N 2 1 332.492 3.351 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000268848514 252296230 /nfs/dbraw/zinc/29/62/30/252296230.db2.gz FKHKVVWWRFYXBV-MSOLQXFVSA-N 2 1 346.515 3.422 20 0 EGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000183557407 533573186 /nfs/dbraw/zinc/57/31/86/533573186.db2.gz URPZLXIUBFCVJM-IRXDYDNUSA-N 2 1 348.487 3.009 20 0 EGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000183557407 533573189 /nfs/dbraw/zinc/57/31/89/533573189.db2.gz URPZLXIUBFCVJM-IRXDYDNUSA-N 2 1 348.487 3.009 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246942469 141044824 /nfs/dbraw/zinc/04/48/24/141044824.db2.gz HQWFJLQMKQYIQO-OPYAIIAOSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246942469 141044825 /nfs/dbraw/zinc/04/48/25/141044825.db2.gz HQWFJLQMKQYIQO-OPYAIIAOSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000246942469 141044826 /nfs/dbraw/zinc/04/48/26/141044826.db2.gz HQWFJLQMKQYIQO-OPYAIIAOSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C)[C@H](C)C2)C1 ZINC000246942469 141044827 /nfs/dbraw/zinc/04/48/27/141044827.db2.gz HQWFJLQMKQYIQO-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C)[C@H](C)C2)C1 ZINC000246942469 141044828 /nfs/dbraw/zinc/04/48/28/141044828.db2.gz HQWFJLQMKQYIQO-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246942469 141044829 /nfs/dbraw/zinc/04/48/29/141044829.db2.gz HQWFJLQMKQYIQO-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246942469 141044830 /nfs/dbraw/zinc/04/48/30/141044830.db2.gz HQWFJLQMKQYIQO-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246942469 141044831 /nfs/dbraw/zinc/04/48/31/141044831.db2.gz HQWFJLQMKQYIQO-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000246942469 141044832 /nfs/dbraw/zinc/04/48/32/141044832.db2.gz HQWFJLQMKQYIQO-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cncc(F)c1 ZINC000246939467 141045391 /nfs/dbraw/zinc/04/53/91/141045391.db2.gz HNWBRBOPWFWLIV-HZPDHXFCSA-N 2 1 343.446 3.292 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cncc(F)c1 ZINC000246939467 141045394 /nfs/dbraw/zinc/04/53/94/141045394.db2.gz HNWBRBOPWFWLIV-HZPDHXFCSA-N 2 1 343.446 3.292 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[NH+]2CC)cc1 ZINC000338040586 141078844 /nfs/dbraw/zinc/07/88/44/141078844.db2.gz BKBKRTKXPBFTIH-IBGZPJMESA-N 2 1 331.504 3.133 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000338046765 141081264 /nfs/dbraw/zinc/08/12/64/141081264.db2.gz LDSONILYHZFZMH-KLBVCGFUSA-N 2 1 343.515 3.199 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCC[NH+](CC)C2)cc1)C(C)C ZINC000338077655 141089366 /nfs/dbraw/zinc/08/93/66/141089366.db2.gz CFYIOCQWDVVLFU-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC)C2)cc1)C(C)C ZINC000338077655 141089368 /nfs/dbraw/zinc/08/93/68/141089368.db2.gz CFYIOCQWDVVLFU-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC)C2)cc1)C(C)C ZINC000338077655 141089371 /nfs/dbraw/zinc/08/93/71/141089371.db2.gz CFYIOCQWDVVLFU-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP OC1(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000342812752 141150053 /nfs/dbraw/zinc/15/00/53/141150053.db2.gz MTHGDYKETPTXRH-VAMGGRTRSA-N 2 1 328.500 3.182 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccccc1-n1ccnn1 ZINC000353451750 141298847 /nfs/dbraw/zinc/29/88/47/141298847.db2.gz XUZCVYYFVFCUIE-IAGOWNOFSA-N 2 1 327.476 3.182 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000353476984 141305189 /nfs/dbraw/zinc/30/51/89/141305189.db2.gz ZXPDEOYHDUGOJH-UXPWSPDFSA-N 2 1 343.515 3.065 20 0 EGADMP Cc1nc2ccc(C(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)cc2n1C ZINC000354606254 141313915 /nfs/dbraw/zinc/31/39/15/141313915.db2.gz ZUMTVWVDVANIJH-OAHLLOKOSA-N 2 1 342.487 3.124 20 0 EGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1ccccc1 ZINC000356840562 141352426 /nfs/dbraw/zinc/35/24/26/141352426.db2.gz FQPRVWRSSGTHDI-IHPCNDPISA-N 2 1 334.504 3.101 20 0 EGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1ccccc1 ZINC000356840562 141352427 /nfs/dbraw/zinc/35/24/27/141352427.db2.gz FQPRVWRSSGTHDI-IHPCNDPISA-N 2 1 334.504 3.101 20 0 EGADMP CC1(C)C[C@@H](N[C@H]2CC[NH+](CC3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000677805514 549334648 /nfs/dbraw/zinc/33/46/48/549334648.db2.gz NMDLUVMBYGPPDS-VQTJNVASSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@@H](N[C@H]2CC[NH+](CC3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000677805514 549334650 /nfs/dbraw/zinc/33/46/50/549334650.db2.gz NMDLUVMBYGPPDS-VQTJNVASSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@@H](N[C@H]2CC[N@H+](CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000677805514 549334656 /nfs/dbraw/zinc/33/46/56/549334656.db2.gz NMDLUVMBYGPPDS-VQTJNVASSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@@H](N[C@H]2CC[N@@H+](CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000677805514 549334660 /nfs/dbraw/zinc/33/46/60/549334660.db2.gz NMDLUVMBYGPPDS-VQTJNVASSA-N 2 1 327.516 3.113 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)s1 ZINC000183949690 144082317 /nfs/dbraw/zinc/08/23/17/144082317.db2.gz ZYUVBWSVCAFDQT-AWEZNQCLSA-N 2 1 339.549 3.413 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)C[C@@H]12 ZINC000351486812 144268075 /nfs/dbraw/zinc/26/80/75/144268075.db2.gz BFXYNNZJLISJJD-RCCFBDPRSA-N 2 1 332.451 3.170 20 0 EGADMP CC[C@@]1(C)C[C@@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363965477 144380150 /nfs/dbraw/zinc/38/01/50/144380150.db2.gz PFGZGNPYQUIPAV-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000355061140 286238101 /nfs/dbraw/zinc/23/81/01/286238101.db2.gz IMMFZUNATPEVCF-OAHLLOKOSA-N 2 1 347.503 3.426 20 0 EGADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)NC1CCC(C)CC1 ZINC000116395889 152057070 /nfs/dbraw/zinc/05/70/70/152057070.db2.gz MNONECKEQZIAKO-ODZFXCKXSA-N 2 1 325.541 3.026 20 0 EGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)Cc3ccccc3)C2)CC1 ZINC000120211182 152259991 /nfs/dbraw/zinc/25/99/91/152259991.db2.gz URNZMXPIJGLCAA-NHCUHLMSSA-N 2 1 330.516 3.034 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000192026072 153237356 /nfs/dbraw/zinc/23/73/56/153237356.db2.gz OSTNIMMOZASDKT-KURKYZTESA-N 2 1 334.504 3.059 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000192026072 153237360 /nfs/dbraw/zinc/23/73/60/153237360.db2.gz OSTNIMMOZASDKT-KURKYZTESA-N 2 1 334.504 3.059 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000192026072 153237364 /nfs/dbraw/zinc/23/73/64/153237364.db2.gz OSTNIMMOZASDKT-KURKYZTESA-N 2 1 334.504 3.059 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000192026072 153237366 /nfs/dbraw/zinc/23/73/66/153237366.db2.gz OSTNIMMOZASDKT-KURKYZTESA-N 2 1 334.504 3.059 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000192026072 153237370 /nfs/dbraw/zinc/23/73/70/153237370.db2.gz OSTNIMMOZASDKT-KURKYZTESA-N 2 1 334.504 3.059 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000192922461 153266834 /nfs/dbraw/zinc/26/68/34/153266834.db2.gz XANARUDUJVICTG-GOSISDBHSA-N 2 1 328.431 3.446 20 0 EGADMP CCn1nc(C)c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000192932442 153268044 /nfs/dbraw/zinc/26/80/44/153268044.db2.gz JUEMZDOEOAEQQE-LJQANCHMSA-N 2 1 326.488 3.132 20 0 EGADMP Cc1ncsc1CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310456942 154142211 /nfs/dbraw/zinc/14/22/11/154142211.db2.gz ZLIQBYPERXVPBU-RTBURBONSA-N 2 1 341.524 3.448 20 0 EGADMP Cc1ncsc1CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310456942 154142214 /nfs/dbraw/zinc/14/22/14/154142214.db2.gz ZLIQBYPERXVPBU-RTBURBONSA-N 2 1 341.524 3.448 20 0 EGADMP Cc1ncsc1CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310456942 154142221 /nfs/dbraw/zinc/14/22/21/154142221.db2.gz ZLIQBYPERXVPBU-RTBURBONSA-N 2 1 341.524 3.448 20 0 EGADMP CCn1cncc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000336732399 154211511 /nfs/dbraw/zinc/21/15/11/154211511.db2.gz ZKSGMEKOHNHPRT-LJQANCHMSA-N 2 1 326.488 3.295 20 0 EGADMP CCn1cncc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000336732399 154211513 /nfs/dbraw/zinc/21/15/13/154211513.db2.gz ZKSGMEKOHNHPRT-LJQANCHMSA-N 2 1 326.488 3.295 20 0 EGADMP Cc1ncc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000336713321 154212087 /nfs/dbraw/zinc/21/20/87/154212087.db2.gz MSTDQNVPDBCDQN-MSOLQXFVSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000336713321 154212090 /nfs/dbraw/zinc/21/20/90/154212090.db2.gz MSTDQNVPDBCDQN-MSOLQXFVSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000336713321 154212096 /nfs/dbraw/zinc/21/20/96/154212096.db2.gz MSTDQNVPDBCDQN-MSOLQXFVSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ncc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000336713321 154212099 /nfs/dbraw/zinc/21/20/99/154212099.db2.gz MSTDQNVPDBCDQN-MSOLQXFVSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ccccc1[C@@H]1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000337336338 154290788 /nfs/dbraw/zinc/29/07/88/154290788.db2.gz MXQMPIYDXQBTMV-HXUWFJFHSA-N 2 1 329.532 3.200 20 0 EGADMP CC(C)OC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000337347632 154297419 /nfs/dbraw/zinc/29/74/19/154297419.db2.gz XTOBJOINLBPOEB-OKZBNKHCSA-N 2 1 334.504 3.199 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347036787 156259926 /nfs/dbraw/zinc/25/99/26/156259926.db2.gz HFNRCWGANFYIDS-YWZLYKJASA-N 2 1 326.488 3.026 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347036787 156259928 /nfs/dbraw/zinc/25/99/28/156259928.db2.gz HFNRCWGANFYIDS-YWZLYKJASA-N 2 1 326.488 3.026 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc2c(c1)nnn2C ZINC000348959935 156300508 /nfs/dbraw/zinc/30/05/08/156300508.db2.gz BHWFNMGTKJEIHQ-UHFFFAOYSA-N 2 1 337.471 3.052 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000349002344 156313134 /nfs/dbraw/zinc/31/31/34/156313134.db2.gz PEEJSIRWHGZGDX-ZJPYXAASSA-N 2 1 337.552 3.265 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000089410269 292350009 /nfs/dbraw/zinc/35/00/09/292350009.db2.gz QHBRGGORJBHAAX-LJQANCHMSA-N 2 1 334.529 3.108 20 0 EGADMP C[N@@H+](Cc1ccc(F)c(Cl)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372735168 157374131 /nfs/dbraw/zinc/37/41/31/157374131.db2.gz FDILMVYXDSICBT-MRXNPFEDSA-N 2 1 339.886 3.079 20 0 EGADMP c1csc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683519 162022738 /nfs/dbraw/zinc/02/27/38/162022738.db2.gz FFRSOCZTLATCDZ-OAHLLOKOSA-N 2 1 330.501 3.446 20 0 EGADMP c1csc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683519 162022741 /nfs/dbraw/zinc/02/27/41/162022741.db2.gz FFRSOCZTLATCDZ-OAHLLOKOSA-N 2 1 330.501 3.446 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000113512422 162212164 /nfs/dbraw/zinc/21/21/64/162212164.db2.gz GBRKQOWBGWDWPB-SFHVURJKSA-N 2 1 337.467 3.322 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000113512422 162212168 /nfs/dbraw/zinc/21/21/68/162212168.db2.gz GBRKQOWBGWDWPB-SFHVURJKSA-N 2 1 337.467 3.322 20 0 EGADMP CCOC[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@H](COCC)C2)C1 ZINC000113935145 162220217 /nfs/dbraw/zinc/22/02/17/162220217.db2.gz OWHUOWDCJWXLDS-VGIQHARFSA-N 2 1 338.536 3.040 20 0 EGADMP CCOC[C@@H]1CCC[N@@H+](C/C=C/C[NH+]2CCC[C@H](COCC)C2)C1 ZINC000113935145 162220222 /nfs/dbraw/zinc/22/02/22/162220222.db2.gz OWHUOWDCJWXLDS-VGIQHARFSA-N 2 1 338.536 3.040 20 0 EGADMP CCOC[C@@H]1CCC[N@H+](C/C=C/C[NH+]2CCC[C@H](COCC)C2)C1 ZINC000113935145 162220226 /nfs/dbraw/zinc/22/02/26/162220226.db2.gz OWHUOWDCJWXLDS-VGIQHARFSA-N 2 1 338.536 3.040 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000130364626 162365120 /nfs/dbraw/zinc/36/51/20/162365120.db2.gz PAQRXXSQIZCSMI-HDICACEKSA-N 2 1 345.531 3.236 20 0 EGADMP CC(C)C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccn1 ZINC000132780015 162440075 /nfs/dbraw/zinc/44/00/75/162440075.db2.gz KAPNUFYDWZAAJX-FXAWDEMLSA-N 2 1 331.504 3.259 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C[C@H](c2ccccc2)C1 ZINC000305162867 163076127 /nfs/dbraw/zinc/07/61/27/163076127.db2.gz XNRDYLVJNNWDRX-DFQSSKMNSA-N 2 1 330.516 3.395 20 0 EGADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000338283574 163205574 /nfs/dbraw/zinc/20/55/74/163205574.db2.gz REFQUUZCYRVHMJ-GOSISDBHSA-N 2 1 349.494 3.057 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cccc(F)c3F)CC2)C[C@H](C)O1 ZINC000338939920 163394753 /nfs/dbraw/zinc/39/47/53/163394753.db2.gz GYXYMCYKJNFSLO-GASCZTMLSA-N 2 1 338.442 3.286 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccc(F)c3F)CC2)C[C@H](C)O1 ZINC000338939920 163394756 /nfs/dbraw/zinc/39/47/56/163394756.db2.gz GYXYMCYKJNFSLO-GASCZTMLSA-N 2 1 338.442 3.286 20 0 EGADMP CCc1oc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1C(=O)OC ZINC000338943390 163397580 /nfs/dbraw/zinc/39/75/80/163397580.db2.gz YGKOMEKEBBRTFP-OAHLLOKOSA-N 2 1 336.476 3.373 20 0 EGADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000354383742 287013440 /nfs/dbraw/zinc/01/34/40/287013440.db2.gz GCVRMSYIKMSDRR-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000354383742 287013441 /nfs/dbraw/zinc/01/34/41/287013441.db2.gz GCVRMSYIKMSDRR-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000354383742 287013442 /nfs/dbraw/zinc/01/34/42/287013442.db2.gz GCVRMSYIKMSDRR-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000354383742 287013443 /nfs/dbraw/zinc/01/34/43/287013443.db2.gz GCVRMSYIKMSDRR-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2CCC(C[NH3+])CC2)cc1 ZINC000343647503 164002864 /nfs/dbraw/zinc/00/28/64/164002864.db2.gz UGIKBQJKEATTGW-UHFFFAOYSA-N 2 1 345.531 3.413 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1)c1ccccc1 ZINC000343778943 164032812 /nfs/dbraw/zinc/03/28/12/164032812.db2.gz XNNWHLWOWKFWTP-PKOBYXMFSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1)c1ccccc1 ZINC000343778943 164032814 /nfs/dbraw/zinc/03/28/14/164032814.db2.gz XNNWHLWOWKFWTP-PKOBYXMFSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000343778943 164032816 /nfs/dbraw/zinc/03/28/16/164032816.db2.gz XNNWHLWOWKFWTP-PKOBYXMFSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000343778943 164032819 /nfs/dbraw/zinc/03/28/19/164032819.db2.gz XNNWHLWOWKFWTP-PKOBYXMFSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH2+]C1CCCCC1)c1ccccc1 ZINC000345852078 164279030 /nfs/dbraw/zinc/27/90/30/164279030.db2.gz RFZFKZGVZIMOPY-LJQANCHMSA-N 2 1 331.504 3.108 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[NH+](CC)C[C@@H]2C)cc1 ZINC000345930672 164298054 /nfs/dbraw/zinc/29/80/54/164298054.db2.gz WJAVQYPTRULLPM-MSOLQXFVSA-N 2 1 345.531 3.473 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)cc1 ZINC000345930672 164298056 /nfs/dbraw/zinc/29/80/56/164298056.db2.gz WJAVQYPTRULLPM-MSOLQXFVSA-N 2 1 345.531 3.473 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)cc1 ZINC000345930672 164298058 /nfs/dbraw/zinc/29/80/58/164298058.db2.gz WJAVQYPTRULLPM-MSOLQXFVSA-N 2 1 345.531 3.473 20 0 EGADMP COC(C)(C)CC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000346422955 164384109 /nfs/dbraw/zinc/38/41/09/164384109.db2.gz BWRXBOLNYWLRTR-CALCHBBNSA-N 2 1 326.525 3.013 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2cc(F)ccc2o1 ZINC000355216232 166137801 /nfs/dbraw/zinc/13/78/01/166137801.db2.gz UPGWLHBWLLLSAF-SUMDDJOVSA-N 2 1 332.419 3.255 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc2cc(F)ccc2o1 ZINC000355216232 166137805 /nfs/dbraw/zinc/13/78/05/166137805.db2.gz UPGWLHBWLLLSAF-SUMDDJOVSA-N 2 1 332.419 3.255 20 0 EGADMP CCCN(C(=O)C[NH+](C)CCC)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000355597749 166256436 /nfs/dbraw/zinc/25/64/36/166256436.db2.gz NYLGWPOLXYVXKX-HXUWFJFHSA-N 2 1 345.531 3.231 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000355807200 166315388 /nfs/dbraw/zinc/31/53/88/166315388.db2.gz GOBWHVUVLINRKJ-QKLQHJQFSA-N 2 1 343.515 3.226 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2cccnc2N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000359103293 167067865 /nfs/dbraw/zinc/06/78/65/167067865.db2.gz HGNKGHWCVOPKRC-FXAWDEMLSA-N 2 1 338.499 3.290 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2cccnc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000359103293 167067868 /nfs/dbraw/zinc/06/78/68/167067868.db2.gz HGNKGHWCVOPKRC-FXAWDEMLSA-N 2 1 338.499 3.290 20 0 EGADMP C[N@@H+](CCC1CC[NH2+]CC1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000359184027 167090479 /nfs/dbraw/zinc/09/04/79/167090479.db2.gz BCTYOGBKFWYZKX-UHFFFAOYSA-N 2 1 344.286 3.253 20 0 EGADMP COC1(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCCCC1 ZINC000359680185 167207883 /nfs/dbraw/zinc/20/78/83/167207883.db2.gz YVQQXIIHDHYIQA-HXUWFJFHSA-N 2 1 346.515 3.082 20 0 EGADMP C[N@H+]1CCCC[C@H]1CCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000360087902 167264592 /nfs/dbraw/zinc/26/45/92/167264592.db2.gz JTZIQVODQGFJSV-LSDHHAIUSA-N 2 1 344.425 3.413 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000360087902 167264596 /nfs/dbraw/zinc/26/45/96/167264596.db2.gz JTZIQVODQGFJSV-LSDHHAIUSA-N 2 1 344.425 3.413 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000360087902 167264597 /nfs/dbraw/zinc/26/45/97/167264597.db2.gz JTZIQVODQGFJSV-LSDHHAIUSA-N 2 1 344.425 3.413 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(-c2ccncc2)cc1 ZINC000360335691 167305222 /nfs/dbraw/zinc/30/52/22/167305222.db2.gz HPFGFWXLOQLWFT-QGZVFWFLSA-N 2 1 339.483 3.246 20 0 EGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000360714988 167395070 /nfs/dbraw/zinc/39/50/70/167395070.db2.gz RTNLWKXHTJYIOL-OAGGEKHMSA-N 2 1 336.549 3.068 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000365222368 168036248 /nfs/dbraw/zinc/03/62/48/168036248.db2.gz DTXATQLZNFSUHL-QGZVFWFLSA-N 2 1 339.524 3.194 20 0 EGADMP Cc1cccc(NC(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1C ZINC000366867799 168150544 /nfs/dbraw/zinc/15/05/44/168150544.db2.gz WADAWEHIDVRLOG-UHFFFAOYSA-N 2 1 329.488 3.050 20 0 EGADMP Cc1cc(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)on1 ZINC000367600794 168248124 /nfs/dbraw/zinc/24/81/24/168248124.db2.gz ZWOCOZIZQFEECO-MISYRCLQSA-N 2 1 325.456 3.026 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H](c3nccn3C)C2)cc1OC(F)F ZINC000367703057 168260257 /nfs/dbraw/zinc/26/02/57/168260257.db2.gz MTEDTAUNUPVAHP-ZDUSSCGKSA-N 2 1 337.370 3.020 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163933004 226031341 /nfs/dbraw/zinc/03/13/41/226031341.db2.gz ARUFQGYLPKFYLC-DBXWQHBBSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163933004 226031345 /nfs/dbraw/zinc/03/13/45/226031345.db2.gz ARUFQGYLPKFYLC-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163933004 226031347 /nfs/dbraw/zinc/03/13/47/226031347.db2.gz ARUFQGYLPKFYLC-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163933004 226031351 /nfs/dbraw/zinc/03/13/51/226031351.db2.gz ARUFQGYLPKFYLC-DBXWQHBBSA-N 2 1 329.532 3.491 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000164640330 226090324 /nfs/dbraw/zinc/09/03/24/226090324.db2.gz CEBXDPBDBUIVOO-HNNXBMFYSA-N 2 1 342.443 3.279 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000122178357 222030059 /nfs/dbraw/zinc/03/00/59/222030059.db2.gz ITAAEAMGHYZGLU-UHFFFAOYSA-N 2 1 339.911 3.305 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000174411484 265047642 /nfs/dbraw/zinc/04/76/42/265047642.db2.gz GJLNBHKYXYBEFB-GOSISDBHSA-N 2 1 345.531 3.134 20 0 EGADMP COc1ccc2oc(C[NH2+]CCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2c1 ZINC000179297437 265371386 /nfs/dbraw/zinc/37/13/86/265371386.db2.gz YJGPNDUAWZHNQL-IYBDPMFKSA-N 2 1 346.471 3.420 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000179401383 265374579 /nfs/dbraw/zinc/37/45/79/265374579.db2.gz PYVXAURWZFNXST-UHFFFAOYSA-N 2 1 328.460 3.159 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000179401383 265374585 /nfs/dbraw/zinc/37/45/85/265374585.db2.gz PYVXAURWZFNXST-UHFFFAOYSA-N 2 1 328.460 3.159 20 0 EGADMP CC(C)(C)C[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180180248 265397136 /nfs/dbraw/zinc/39/71/36/265397136.db2.gz RLGQUNKLPLUCRX-ZGXWSNOMSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3(C[NH3+])CCCC3)cc2)C1 ZINC000237475029 266234977 /nfs/dbraw/zinc/23/49/77/266234977.db2.gz NQDNLUATIYCCEI-QGZVFWFLSA-N 2 1 343.515 3.054 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)CCCn2cc[nH+]c2C)cc1 ZINC000269532158 266311997 /nfs/dbraw/zinc/31/19/97/266311997.db2.gz RHRKFDMDLSKWPH-UHFFFAOYSA-N 2 1 342.487 3.196 20 0 EGADMP Cn1c2ccccc2nc1CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000269636981 266331232 /nfs/dbraw/zinc/33/12/32/266331232.db2.gz IZBGGMXXTJYEHY-QFBILLFUSA-N 2 1 338.499 3.065 20 0 EGADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269636981 266331233 /nfs/dbraw/zinc/33/12/33/266331233.db2.gz IZBGGMXXTJYEHY-QFBILLFUSA-N 2 1 338.499 3.065 20 0 EGADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269636981 266331237 /nfs/dbraw/zinc/33/12/37/266331237.db2.gz IZBGGMXXTJYEHY-QFBILLFUSA-N 2 1 338.499 3.065 20 0 EGADMP C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274911408 267305663 /nfs/dbraw/zinc/30/56/63/267305663.db2.gz NGSUACUAZUATAC-WJMWBRGCSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274911408 267305666 /nfs/dbraw/zinc/30/56/66/267305666.db2.gz NGSUACUAZUATAC-WJMWBRGCSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274911408 267305668 /nfs/dbraw/zinc/30/56/68/267305668.db2.gz NGSUACUAZUATAC-WJMWBRGCSA-N 3 1 329.532 3.359 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)[C@H](C)C1 ZINC000090723357 275153392 /nfs/dbraw/zinc/15/33/92/275153392.db2.gz GVMPRCMYIYSIAG-DYESRHJHSA-N 2 1 346.515 3.202 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000172129443 275196869 /nfs/dbraw/zinc/19/68/69/275196869.db2.gz KFAMJEORQFUSGG-GOSISDBHSA-N 2 1 332.492 3.134 20 0 EGADMP COc1cccc(C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C2CC2)c1 ZINC000278797765 275275763 /nfs/dbraw/zinc/27/57/63/275275763.db2.gz YZNHTNLEQICNFR-UWJYYQICSA-N 2 1 346.515 3.107 20 0 EGADMP COc1cccc(C[C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C2CC2)c1 ZINC000278797765 275275764 /nfs/dbraw/zinc/27/57/64/275275764.db2.gz YZNHTNLEQICNFR-UWJYYQICSA-N 2 1 346.515 3.107 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000278804938 275276190 /nfs/dbraw/zinc/27/61/90/275276190.db2.gz ZIWSWMUVRVWKIZ-CABCVRRESA-N 2 1 342.430 3.440 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000278804943 275276423 /nfs/dbraw/zinc/27/64/23/275276423.db2.gz ZIWSWMUVRVWKIZ-HUUCEWRRSA-N 2 1 342.430 3.440 20 0 EGADMP O[C@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1F ZINC000278944183 275289918 /nfs/dbraw/zinc/28/99/18/275289918.db2.gz UUTNTLVRDVDEEN-LJQANCHMSA-N 2 1 343.446 3.272 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)[C@@H]1C ZINC000279868574 275367830 /nfs/dbraw/zinc/36/78/30/275367830.db2.gz JMGWCDNZBOUGMF-KPFFTGBYSA-N 2 1 344.499 3.002 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)[C@@H]1C ZINC000279868574 275367832 /nfs/dbraw/zinc/36/78/32/275367832.db2.gz JMGWCDNZBOUGMF-KPFFTGBYSA-N 2 1 344.499 3.002 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280040295 275395503 /nfs/dbraw/zinc/39/55/03/275395503.db2.gz ITQJIWOFQZXMSH-ILZDJORESA-N 2 1 338.499 3.298 20 0 EGADMP COc1ccncc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000287971244 276173331 /nfs/dbraw/zinc/17/33/31/276173331.db2.gz ZKMNLQRFOCSBKV-SJLPKXTDSA-N 2 1 325.456 3.090 20 0 EGADMP COc1ccncc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287971244 276173332 /nfs/dbraw/zinc/17/33/32/276173332.db2.gz ZKMNLQRFOCSBKV-SJLPKXTDSA-N 2 1 325.456 3.090 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N(C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000356584226 276309332 /nfs/dbraw/zinc/30/93/32/276309332.db2.gz IQTIXEKPKIDGLJ-IBGZPJMESA-N 2 1 331.504 3.011 20 0 EGADMP COc1cc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc(OC)c1O ZINC000289251962 276311353 /nfs/dbraw/zinc/31/13/53/276311353.db2.gz LXWXLXBCHNIAMZ-OAHLLOKOSA-N 2 1 336.476 3.154 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000289291589 276317090 /nfs/dbraw/zinc/31/70/90/276317090.db2.gz AAUURKHSCASIHF-VNHYZAJKSA-N 2 1 344.421 3.242 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000289291589 276317091 /nfs/dbraw/zinc/31/70/91/276317091.db2.gz AAUURKHSCASIHF-VNHYZAJKSA-N 2 1 344.421 3.242 20 0 EGADMP Cc1c[nH]nc1C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000289524172 276352404 /nfs/dbraw/zinc/35/24/04/276352404.db2.gz NYXLZHJJKCJTAV-UHFFFAOYSA-N 2 1 332.879 3.373 20 0 EGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289545487 276355858 /nfs/dbraw/zinc/35/58/58/276355858.db2.gz CWMBGDDJNRNAMP-BLLLJJGKSA-N 2 1 330.394 3.153 20 0 EGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000289545487 276355860 /nfs/dbraw/zinc/35/58/60/276355860.db2.gz CWMBGDDJNRNAMP-BLLLJJGKSA-N 2 1 330.394 3.153 20 0 EGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000289545487 276355862 /nfs/dbraw/zinc/35/58/62/276355862.db2.gz CWMBGDDJNRNAMP-BLLLJJGKSA-N 2 1 330.394 3.153 20 0 EGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289545494 276355872 /nfs/dbraw/zinc/35/58/72/276355872.db2.gz CWMBGDDJNRNAMP-LRDDRELGSA-N 2 1 330.394 3.153 20 0 EGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000289545494 276355873 /nfs/dbraw/zinc/35/58/73/276355873.db2.gz CWMBGDDJNRNAMP-LRDDRELGSA-N 2 1 330.394 3.153 20 0 EGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000289545494 276355874 /nfs/dbraw/zinc/35/58/74/276355874.db2.gz CWMBGDDJNRNAMP-LRDDRELGSA-N 2 1 330.394 3.153 20 0 EGADMP COc1ccc([C@H](C)NCCC[N@@H+]2CCc3ccccc3C2)cc1O ZINC000289594541 276363484 /nfs/dbraw/zinc/36/34/84/276363484.db2.gz FPMCEKNVAURCJS-INIZCTEOSA-N 2 1 340.467 3.500 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000353585946 277170380 /nfs/dbraw/zinc/17/03/80/277170380.db2.gz ATNVXTGALNMVRA-SONFCDGGSA-N 2 1 328.500 3.005 20 0 EGADMP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000353567542 278221633 /nfs/dbraw/zinc/22/16/33/278221633.db2.gz ZLADAEVTADOIEX-UYAOXDASSA-N 2 1 326.488 3.164 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1cnn(C)c1 ZINC000164505862 278358562 /nfs/dbraw/zinc/35/85/62/278358562.db2.gz QVMQRHNROPDTQJ-MRXNPFEDSA-N 2 1 338.455 3.496 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)cc1)C(C)C ZINC000343827837 279235778 /nfs/dbraw/zinc/23/57/78/279235778.db2.gz LUGQAXVFXFOAPC-OXJNMPFZSA-N 2 1 343.515 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1)C(C)C ZINC000343827837 279235780 /nfs/dbraw/zinc/23/57/80/279235780.db2.gz LUGQAXVFXFOAPC-OXJNMPFZSA-N 2 1 343.515 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1)C(C)C ZINC000343827837 279235781 /nfs/dbraw/zinc/23/57/81/279235781.db2.gz LUGQAXVFXFOAPC-OXJNMPFZSA-N 2 1 343.515 3.129 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2C[NH+](C3CC3)C[C@@H]2C)cc1)C(C)C ZINC000343827836 279235794 /nfs/dbraw/zinc/23/57/94/279235794.db2.gz LUGQAXVFXFOAPC-JXFKEZNVSA-N 2 1 343.515 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1)C(C)C ZINC000343827836 279235795 /nfs/dbraw/zinc/23/57/95/279235795.db2.gz LUGQAXVFXFOAPC-JXFKEZNVSA-N 2 1 343.515 3.129 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1)C(C)C ZINC000343827836 279235797 /nfs/dbraw/zinc/23/57/97/279235797.db2.gz LUGQAXVFXFOAPC-JXFKEZNVSA-N 2 1 343.515 3.129 20 0 EGADMP CC(C)N(C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1CCCC1 ZINC000347938588 279287724 /nfs/dbraw/zinc/28/77/24/279287724.db2.gz UFKZERHGPQPZIF-MSOLQXFVSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)N(C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CCCC1 ZINC000347938588 279287726 /nfs/dbraw/zinc/28/77/26/279287726.db2.gz UFKZERHGPQPZIF-MSOLQXFVSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000263219952 280164750 /nfs/dbraw/zinc/16/47/50/280164750.db2.gz LSEHSKLVRNLBOJ-QUCCMNQESA-N 2 1 335.536 3.009 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1OC ZINC000375892680 295141056 /nfs/dbraw/zinc/14/10/56/295141056.db2.gz ZMQUTTMSEBEGIB-WBAXXEDZSA-N 2 1 332.488 3.160 20 0 EGADMP COc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+]2CCCC2)cc1 ZINC000192606133 295241701 /nfs/dbraw/zinc/24/17/01/295241701.db2.gz MFYISMFNOGGTBW-QYYYHEGRSA-N 2 1 343.515 3.047 20 0 EGADMP COc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)N2CCCC2)cc1 ZINC000192606133 295241703 /nfs/dbraw/zinc/24/17/03/295241703.db2.gz MFYISMFNOGGTBW-QYYYHEGRSA-N 2 1 343.515 3.047 20 0 EGADMP COc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N2CCCC2)cc1 ZINC000192606133 295241705 /nfs/dbraw/zinc/24/17/05/295241705.db2.gz MFYISMFNOGGTBW-QYYYHEGRSA-N 2 1 343.515 3.047 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)[C@H](C)C1 ZINC000414179540 309065083 /nfs/dbraw/zinc/06/50/83/309065083.db2.gz KTCZBOCLAVLPFV-MCYKXBRJSA-N 2 1 334.479 3.408 20 0 EGADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248398012 308002169 /nfs/dbraw/zinc/00/21/69/308002169.db2.gz IOIZHIZSTWXCDS-DOIPELPJSA-N 2 1 330.516 3.284 20 0 EGADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248817989 308012191 /nfs/dbraw/zinc/01/21/91/308012191.db2.gz LDNJSAKVGZLDQO-MEBIHWHUSA-N 2 1 344.499 3.074 20 0 EGADMP C(=C\c1ccccc1)\C[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000255559763 308054159 /nfs/dbraw/zinc/05/41/59/308054159.db2.gz IGMBYGYHIDNLRZ-XFFZJAGNSA-N 2 1 327.516 3.193 20 0 EGADMP COc1cccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1OC(F)F ZINC000293587324 308144261 /nfs/dbraw/zinc/14/42/61/308144261.db2.gz IEPJAMXGOAQJAK-GOSISDBHSA-N 2 1 340.414 3.214 20 0 EGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293764700 308160035 /nfs/dbraw/zinc/16/00/35/308160035.db2.gz ROINLGGXDAWFND-NLWGTHIKSA-N 2 1 345.531 3.039 20 0 EGADMP C[C@@H]1C[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)[C@H](C)O1 ZINC000294677225 308244932 /nfs/dbraw/zinc/24/49/32/308244932.db2.gz DXRRLJKBLBODEH-GQIGUUNPSA-N 2 1 331.504 3.442 20 0 EGADMP Cc1cnc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)s1 ZINC000294946630 308274908 /nfs/dbraw/zinc/27/49/08/308274908.db2.gz FBNIYTSPEPJYNP-UHFFFAOYSA-N 2 1 334.489 3.058 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)CC[NH2+]1 ZINC000414703925 309096270 /nfs/dbraw/zinc/09/62/70/309096270.db2.gz YRVFPWXNPSVIRA-PBFPGSCMSA-N 2 1 326.843 3.241 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)CC[NH2+]1 ZINC000414703925 309096271 /nfs/dbraw/zinc/09/62/71/309096271.db2.gz YRVFPWXNPSVIRA-PBFPGSCMSA-N 2 1 326.843 3.241 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000414706551 309096557 /nfs/dbraw/zinc/09/65/57/309096557.db2.gz YIBLLRSVGAWGAY-JYRKZWEQSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000414706551 309096558 /nfs/dbraw/zinc/09/65/58/309096558.db2.gz YIBLLRSVGAWGAY-JYRKZWEQSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000414706551 309096559 /nfs/dbraw/zinc/09/65/59/309096559.db2.gz YIBLLRSVGAWGAY-JYRKZWEQSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000414706551 309096560 /nfs/dbraw/zinc/09/65/60/309096560.db2.gz YIBLLRSVGAWGAY-JYRKZWEQSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000414706551 309096561 /nfs/dbraw/zinc/09/65/61/309096561.db2.gz YIBLLRSVGAWGAY-JYRKZWEQSA-N 3 1 329.532 3.359 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)N1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000414718111 309097182 /nfs/dbraw/zinc/09/71/82/309097182.db2.gz VHVLCIOMSVMBJA-KRWDZBQOSA-N 2 1 344.503 3.406 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000414670756 309094709 /nfs/dbraw/zinc/09/47/09/309094709.db2.gz MMCQVAVYAMEFOM-ZYSHUDEJSA-N 2 1 338.499 3.339 20 0 EGADMP C[C@@H](C[NH3+])N(C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414718041 309097220 /nfs/dbraw/zinc/09/72/20/309097220.db2.gz VCFHBDFMHIRUDL-HNNXBMFYSA-N 2 1 332.492 3.262 20 0 EGADMP CCOc1cc2c(cc1OCC)C[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000414682057 309095176 /nfs/dbraw/zinc/09/51/76/309095176.db2.gz XNCYUKKIOTZJAW-CVEARBPZSA-N 2 1 332.488 3.230 20 0 EGADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000414772214 309100009 /nfs/dbraw/zinc/10/00/09/309100009.db2.gz BKWDFIMBUYKBJG-QZTJIDSGSA-N 2 1 325.456 3.472 20 0 EGADMP COc1ccc(Br)c(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414752467 309098848 /nfs/dbraw/zinc/09/88/48/309098848.db2.gz KSZJHGHPOVDGMD-STQMWFEESA-N 2 1 341.293 3.278 20 0 EGADMP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)CC[NH2+]1 ZINC000414760108 309099109 /nfs/dbraw/zinc/09/91/09/309099109.db2.gz XUCXTRMLYGZYJT-IGCXYCKISA-N 2 1 326.843 3.241 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)CC[NH2+]1 ZINC000414760108 309099110 /nfs/dbraw/zinc/09/91/10/309099110.db2.gz XUCXTRMLYGZYJT-IGCXYCKISA-N 2 1 326.843 3.241 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000414772815 309099904 /nfs/dbraw/zinc/09/99/04/309099904.db2.gz CNLOPFUTYYMMCU-UONOGXRCSA-N 2 1 340.414 3.118 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(OC(F)F)c1 ZINC000414776661 309100358 /nfs/dbraw/zinc/10/03/58/309100358.db2.gz HIOCXARPMZEYBZ-KBPBESRZSA-N 2 1 340.414 3.118 20 0 EGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000414780797 309100576 /nfs/dbraw/zinc/10/05/76/309100576.db2.gz LYQFGIZYRXMZHE-AABGKKOBSA-N 2 1 328.500 3.184 20 0 EGADMP COc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1OCc1ccccc1 ZINC000414781125 309100716 /nfs/dbraw/zinc/10/07/16/309100716.db2.gz VINBXBDOUHUXKO-UHFFFAOYSA-N 2 1 326.440 3.196 20 0 EGADMP COc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1OCc1ccccc1 ZINC000414781125 309100717 /nfs/dbraw/zinc/10/07/17/309100717.db2.gz VINBXBDOUHUXKO-UHFFFAOYSA-N 2 1 326.440 3.196 20 0 EGADMP FC(F)(F)Oc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414783193 309100838 /nfs/dbraw/zinc/10/08/38/309100838.db2.gz PNUSGQNTZLNWJC-UONOGXRCSA-N 2 1 328.378 3.407 20 0 EGADMP c1cnc(Oc2ccc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2)cn1 ZINC000414784601 309100924 /nfs/dbraw/zinc/10/09/24/309100924.db2.gz RMNGMJCIGSVXBB-ZWKOTPCHSA-N 2 1 338.455 3.090 20 0 EGADMP Fc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1Br ZINC000414788532 309101288 /nfs/dbraw/zinc/10/12/88/309101288.db2.gz WWVBAZMQCWGWOI-ZIAGYGMSSA-N 2 1 341.268 3.410 20 0 EGADMP Fc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1Br ZINC000414788529 309101388 /nfs/dbraw/zinc/10/13/88/309101388.db2.gz WWVBAZMQCWGWOI-KBPBESRZSA-N 2 1 341.268 3.410 20 0 EGADMP c1cn2c(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c(C3CC3)nc2s1 ZINC000414789193 309101485 /nfs/dbraw/zinc/10/14/85/309101485.db2.gz XXOBLKCMFQLDDV-HUUCEWRRSA-N 2 1 330.501 3.095 20 0 EGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414840431 309104872 /nfs/dbraw/zinc/10/48/72/309104872.db2.gz MHECTLZNWUMXKD-WCQYABFASA-N 2 1 331.273 3.482 20 0 EGADMP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000305132714 308758464 /nfs/dbraw/zinc/75/84/64/308758464.db2.gz KPVBZVWMCSIAKH-CVEARBPZSA-N 2 1 337.508 3.039 20 0 EGADMP CO[C@@H]([C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1 ZINC000449635955 310076345 /nfs/dbraw/zinc/07/63/45/310076345.db2.gz YTSHSFXFEYNVIZ-QRWLVFNGSA-N 2 1 334.479 3.236 20 0 EGADMP CCOc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1OCc1ccccc1 ZINC000414889196 309107512 /nfs/dbraw/zinc/10/75/12/309107512.db2.gz LAWMXEDZPODGSN-LJQANCHMSA-N 2 1 340.467 3.491 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414910863 309108746 /nfs/dbraw/zinc/10/87/46/309108746.db2.gz VTLUJGNVQFBZMO-QGZVFWFLSA-N 2 1 346.906 3.433 20 0 EGADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414947342 309110652 /nfs/dbraw/zinc/11/06/52/309110652.db2.gz UYAODQRCILVSGF-IUCAKERBSA-N 2 1 337.773 3.013 20 0 EGADMP [NH3+][C@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000415010039 309114016 /nfs/dbraw/zinc/11/40/16/309114016.db2.gz URXZVRVCTCBCKK-RZQVSUQPSA-N 3 1 327.516 3.289 20 0 EGADMP [NH3+][C@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000415010039 309114017 /nfs/dbraw/zinc/11/40/17/309114017.db2.gz URXZVRVCTCBCKK-RZQVSUQPSA-N 2 1 327.516 3.289 20 0 EGADMP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000415027186 309115153 /nfs/dbraw/zinc/11/51/53/309115153.db2.gz VTZKOOOFWWPOGL-BGJPATFMSA-N 3 1 341.543 3.252 20 0 EGADMP [NH3+]C[C@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)C1CCCC1 ZINC000415073013 309118401 /nfs/dbraw/zinc/11/84/01/309118401.db2.gz YTDKBRVPKRTSIU-FQEVSTJZSA-N 2 1 325.456 3.268 20 0 EGADMP CC(C)CC(=O)N1CCC([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000415080315 309118926 /nfs/dbraw/zinc/11/89/26/309118926.db2.gz IWGOXIZXUCFOBT-VQTJNVASSA-N 2 1 343.515 3.106 20 0 EGADMP COCCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415094684 309119881 /nfs/dbraw/zinc/11/98/81/309119881.db2.gz XRCQJXVGQHPLGZ-CTNGQTDRSA-N 2 1 340.467 3.295 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415133649 309122854 /nfs/dbraw/zinc/12/28/54/309122854.db2.gz VJBVPNVZQGBCKY-HIFRSBDPSA-N 2 1 332.879 3.251 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000415972922 309152197 /nfs/dbraw/zinc/15/21/97/309152197.db2.gz NKOOCYRBZPDOSB-CALCHBBNSA-N 2 1 346.519 3.286 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000416153833 309161186 /nfs/dbraw/zinc/16/11/86/309161186.db2.gz GBTWHJQVPKYYPX-YTQUADARSA-N 2 1 331.504 3.011 20 0 EGADMP C[NH2+]C[C@H](C)CNc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000420216086 309277375 /nfs/dbraw/zinc/27/73/75/309277375.db2.gz WRJUYUOUEATJRE-LBPRGKRZSA-N 2 1 347.532 3.171 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccn(-c4ccc(Cl)cc4)n3)C[C@@H]21 ZINC000420307414 309280812 /nfs/dbraw/zinc/28/08/12/309280812.db2.gz MGEDWVYIDKUZGN-DOPJRALCSA-N 2 1 330.863 3.085 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccn(-c4ccc(Cl)cc4)n3)C[C@@H]21 ZINC000420307414 309280813 /nfs/dbraw/zinc/28/08/13/309280813.db2.gz MGEDWVYIDKUZGN-DOPJRALCSA-N 2 1 330.863 3.085 20 0 EGADMP OCCC[N@@H+](CC[C@@H]1CC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000420309397 309281055 /nfs/dbraw/zinc/28/10/55/309281055.db2.gz TUOVFHHBTOHDOT-IBGZPJMESA-N 2 1 338.495 3.460 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000420310024 309281063 /nfs/dbraw/zinc/28/10/63/309281063.db2.gz USIARKKIPSAWLZ-RBUKOAKNSA-N 2 1 340.467 3.236 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000420313057 309281114 /nfs/dbraw/zinc/28/11/14/309281114.db2.gz TXNSWYHFBCIORT-QRFRQXIXSA-N 2 1 337.467 3.344 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000420313057 309281115 /nfs/dbraw/zinc/28/11/15/309281115.db2.gz TXNSWYHFBCIORT-QRFRQXIXSA-N 2 1 337.467 3.344 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000420312001 309281122 /nfs/dbraw/zinc/28/11/22/309281122.db2.gz HLSRNJLCBXDTHJ-WBVHZDCISA-N 2 1 331.485 3.421 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000420312001 309281123 /nfs/dbraw/zinc/28/11/23/309281123.db2.gz HLSRNJLCBXDTHJ-WBVHZDCISA-N 2 1 331.485 3.421 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000420312000 309281152 /nfs/dbraw/zinc/28/11/52/309281152.db2.gz HLSRNJLCBXDTHJ-RDJZCZTQSA-N 2 1 331.485 3.421 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000420312000 309281153 /nfs/dbraw/zinc/28/11/53/309281153.db2.gz HLSRNJLCBXDTHJ-RDJZCZTQSA-N 2 1 331.485 3.421 20 0 EGADMP c1cc(C[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000420313142 309281201 /nfs/dbraw/zinc/28/12/01/309281201.db2.gz PEBRZCBXNKKKHQ-WMZOPIPTSA-N 3 1 333.545 3.082 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420314993 309281474 /nfs/dbraw/zinc/28/14/74/309281474.db2.gz RISIUHFNWMKMOK-CQSZACIVSA-N 2 1 330.428 3.170 20 0 EGADMP CC[C@@H](C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000420318283 309281710 /nfs/dbraw/zinc/28/17/10/309281710.db2.gz OILINXJOFLKCOH-CVEARBPZSA-N 2 1 342.487 3.326 20 0 EGADMP Cc1cc(-c2noc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2)ccc1F ZINC000420322952 309282177 /nfs/dbraw/zinc/28/21/77/309282177.db2.gz XFFNETXZVZTTKO-MRXNPFEDSA-N 2 1 344.434 3.006 20 0 EGADMP Cc1ccc(C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C(C)C)s1 ZINC000420327822 309282585 /nfs/dbraw/zinc/28/25/85/309282585.db2.gz YWTZAMUFFRSOOQ-OALUTQOASA-N 2 1 332.513 3.198 20 0 EGADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332705 309282904 /nfs/dbraw/zinc/28/29/04/309282904.db2.gz SEHZPHKJLNSVCF-HZSPNIEDSA-N 2 1 332.473 3.181 20 0 EGADMP C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000420331669 309282909 /nfs/dbraw/zinc/28/29/09/309282909.db2.gz IRKVWZGIRVSKSA-NVXWUHKLSA-N 2 1 325.456 3.228 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000420331669 309282910 /nfs/dbraw/zinc/28/29/10/309282910.db2.gz IRKVWZGIRVSKSA-NVXWUHKLSA-N 2 1 325.456 3.228 20 0 EGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420339459 309283331 /nfs/dbraw/zinc/28/33/31/309283331.db2.gz YZNSPUWZGGBLEZ-XJKSGUPXSA-N 2 1 342.405 3.454 20 0 EGADMP Cc1ccc(-c2noc(CCC[NH2+][C@@H](C[NH3+])C(C)(C)C)n2)cc1F ZINC000420367007 309284552 /nfs/dbraw/zinc/28/45/52/309284552.db2.gz RUOFHXUFGQIBER-HNNXBMFYSA-N 2 1 334.439 3.080 20 0 EGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cc(Br)cc2cccnc21 ZINC000420366495 309284622 /nfs/dbraw/zinc/28/46/22/309284622.db2.gz RGFRPXOAIKVHBJ-AWEZNQCLSA-N 2 1 336.277 3.460 20 0 EGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000420375222 309285191 /nfs/dbraw/zinc/28/51/91/309285191.db2.gz IOLNYKRQCQPMAD-RDJZCZTQSA-N 2 1 347.484 3.121 20 0 EGADMP CCCCc1nc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cs1 ZINC000420392855 309286059 /nfs/dbraw/zinc/28/60/59/309286059.db2.gz PVMCKZVCHLFUAG-NVXWUHKLSA-N 2 1 337.533 3.204 20 0 EGADMP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420393831 309286122 /nfs/dbraw/zinc/28/61/22/309286122.db2.gz KBNWBJPLRNDUKH-PMACEKPBSA-N 2 1 343.515 3.036 20 0 EGADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420393831 309286123 /nfs/dbraw/zinc/28/61/23/309286123.db2.gz KBNWBJPLRNDUKH-PMACEKPBSA-N 2 1 343.515 3.036 20 0 EGADMP CC(C)(C)c1csc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)n1 ZINC000420394174 309286147 /nfs/dbraw/zinc/28/61/47/309286147.db2.gz RHLGGXCFPCBFQO-HUUCEWRRSA-N 2 1 337.533 3.159 20 0 EGADMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000420393854 309286219 /nfs/dbraw/zinc/28/62/19/309286219.db2.gz YUPIFVYONWIWHL-UHFFFAOYSA-N 2 1 341.455 3.349 20 0 EGADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C[C@@H]1C[NH3+] ZINC000420397366 309286402 /nfs/dbraw/zinc/28/64/02/309286402.db2.gz FZSOBAATQZGLIL-RDJZCZTQSA-N 2 1 325.456 3.085 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@H+](Cc3sccc3Cl)CC2)CC1 ZINC000420976409 309305489 /nfs/dbraw/zinc/30/54/89/309305489.db2.gz GYRYRMWRGSVGPU-UHFFFAOYSA-N 2 1 341.952 3.394 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3sccc3Cl)CC2)CC1 ZINC000420976409 309305490 /nfs/dbraw/zinc/30/54/90/309305490.db2.gz GYRYRMWRGSVGPU-UHFFFAOYSA-N 2 1 341.952 3.394 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421849239 309343213 /nfs/dbraw/zinc/34/32/13/309343213.db2.gz BMECSZOIRSEYTD-CTNGQTDRSA-N 2 1 335.495 3.441 20 0 EGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2c1cc(Br)cc2Cl)C1CC1 ZINC000423271927 309393441 /nfs/dbraw/zinc/39/34/41/309393441.db2.gz HROBLZDQAKIDRS-UONOGXRCSA-N 2 1 329.669 3.417 20 0 EGADMP C[NH+](C)CCCOc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422708883 309364055 /nfs/dbraw/zinc/36/40/55/309364055.db2.gz CHTJLPUCOSBJQC-PCCBWWKXSA-N 2 1 345.531 3.027 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422712538 309364304 /nfs/dbraw/zinc/36/43/04/309364304.db2.gz IMIVFLDQIRYWLA-NHCUHLMSSA-N 3 1 339.483 3.252 20 0 EGADMP CN(C)C1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000422766708 309367267 /nfs/dbraw/zinc/36/72/67/309367267.db2.gz XPDAABNKLOXNDR-WIYYLYMNSA-N 2 1 343.515 3.096 20 0 EGADMP CCOc1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)O[C@H](C)C2 ZINC000422775341 309367799 /nfs/dbraw/zinc/36/77/99/309367799.db2.gz BFJYRAXUSAJIAV-DQEVTTJGSA-N 2 1 344.499 3.419 20 0 EGADMP c1ccc(CCN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422845139 309371643 /nfs/dbraw/zinc/37/16/43/309371643.db2.gz NORWUBNGDPMENA-BHIFYINESA-N 2 1 341.543 3.204 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422845139 309371644 /nfs/dbraw/zinc/37/16/44/309371644.db2.gz NORWUBNGDPMENA-BHIFYINESA-N 3 1 341.543 3.204 20 0 EGADMP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422880955 309373646 /nfs/dbraw/zinc/37/36/46/309373646.db2.gz XZPYUAVOOGZPLS-OWCLPIDISA-N 2 1 340.414 3.307 20 0 EGADMP CC[C@@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)[N@@H+](C)Cc1ccccc1 ZINC000422888495 309374214 /nfs/dbraw/zinc/37/42/14/309374214.db2.gz NBAUWFAPNMJHHV-JXFKEZNVSA-N 2 1 339.483 3.233 20 0 EGADMP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422900470 309374967 /nfs/dbraw/zinc/37/49/67/309374967.db2.gz JHSDGNOYDFFTOT-SJORKVTESA-N 2 1 346.519 3.127 20 0 EGADMP CC(C)CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422941873 309377449 /nfs/dbraw/zinc/37/74/49/309377449.db2.gz VVJXYHNYCCJWKO-HSALFYBXSA-N 2 1 346.515 3.358 20 0 EGADMP COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c2ccccc2n1 ZINC000423003591 309380291 /nfs/dbraw/zinc/38/02/91/309380291.db2.gz IBVZNCOGEXFODO-MGPUTAFESA-N 2 1 335.451 3.292 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423037143 309382395 /nfs/dbraw/zinc/38/23/95/309382395.db2.gz BEFQYTBDCUBGTB-VUCTXSBTSA-N 2 1 325.859 3.178 20 0 EGADMP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423086016 309385206 /nfs/dbraw/zinc/38/52/06/309385206.db2.gz LYJNTMMGBQLCAZ-SJPCQFCGSA-N 2 1 338.499 3.370 20 0 EGADMP Fc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)c1 ZINC000423093829 309385620 /nfs/dbraw/zinc/38/56/20/309385620.db2.gz IOOQLRGFMMMBSW-ZKIDJSGLSA-N 2 1 332.463 3.209 20 0 EGADMP COc1cc(OC)cc(Oc2cccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])c2)c1 ZINC000423112107 309386572 /nfs/dbraw/zinc/38/65/72/309386572.db2.gz XCBKAGIVQOLKPS-PMACEKPBSA-N 2 1 342.439 3.466 20 0 EGADMP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423125286 309387209 /nfs/dbraw/zinc/38/72/09/309387209.db2.gz QEXUMYZZBDHSCM-ZZVYKPCYSA-N 2 1 326.893 3.136 20 0 EGADMP Clc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423125283 309387266 /nfs/dbraw/zinc/38/72/66/309387266.db2.gz QEXUMYZZBDHSCM-AHLTXXRQSA-N 2 1 326.893 3.136 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CCCC[C@@H]2C[NH3+])[NH+](C)C)cc1 ZINC000423125136 309387274 /nfs/dbraw/zinc/38/72/74/309387274.db2.gz NASZPMDNFQSFEG-RLLQIKCJSA-N 2 1 333.520 3.184 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423134216 309387626 /nfs/dbraw/zinc/38/76/26/309387626.db2.gz DRFAEIRYUPDLPZ-HMXCVIKNSA-N 3 1 329.532 3.266 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423134216 309387627 /nfs/dbraw/zinc/38/76/27/309387627.db2.gz DRFAEIRYUPDLPZ-HMXCVIKNSA-N 2 1 329.532 3.266 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423134216 309387628 /nfs/dbraw/zinc/38/76/28/309387628.db2.gz DRFAEIRYUPDLPZ-HMXCVIKNSA-N 2 1 329.532 3.266 20 0 EGADMP CC[C@H]([NH2+]CCc1ccc(OC)c(OC)c1Cl)[C@H]1CCCC[NH2+]1 ZINC000423131709 309387657 /nfs/dbraw/zinc/38/76/57/309387657.db2.gz ICRJHJNTYXHFNW-LSDHHAIUSA-N 2 1 340.895 3.410 20 0 EGADMP c1c2ccccc2sc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423138276 309387919 /nfs/dbraw/zinc/38/79/19/309387919.db2.gz SPYPCVIMTDAEKS-KURKYZTESA-N 2 1 330.497 3.191 20 0 EGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423272531 309393496 /nfs/dbraw/zinc/39/34/96/309393496.db2.gz ZBXCUGACVQEMJH-WBVHZDCISA-N 2 1 330.476 3.023 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(OCc2ccccc2)c1 ZINC000423527815 309405011 /nfs/dbraw/zinc/40/50/11/309405011.db2.gz VZQHFXPESZTYEZ-UTKZUKDTSA-N 2 1 340.467 3.295 20 0 EGADMP Brc1cccc2c1OCCC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423532307 309405279 /nfs/dbraw/zinc/40/52/79/309405279.db2.gz VCGRPRFGFQAQAA-OAHLLOKOSA-N 2 1 339.277 3.395 20 0 EGADMP FC(F)Oc1cccc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425900323 309494109 /nfs/dbraw/zinc/49/41/09/309494109.db2.gz NIOCMBMDQTXHGI-UHFFFAOYSA-N 2 1 337.370 3.033 20 0 EGADMP Cn1ccnc1[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(F)c1 ZINC000446885517 309970162 /nfs/dbraw/zinc/97/01/62/309970162.db2.gz XGYWTOXLABOPBJ-LJQANCHMSA-N 2 1 342.462 3.113 20 0 EGADMP COc1ccc(-n2cc(C[NH2+]C[C@@H]3CCC[N@@H+](C(C)C)C3)cn2)cc1 ZINC000449129783 310039164 /nfs/dbraw/zinc/03/91/64/310039164.db2.gz DHXIXBVDJYGUFG-KRWDZBQOSA-N 2 1 342.487 3.091 20 0 EGADMP COc1ccc(-n2cc(C[NH2+]C[C@@H]3CCC[N@H+](C(C)C)C3)cn2)cc1 ZINC000449129783 310039165 /nfs/dbraw/zinc/03/91/65/310039165.db2.gz DHXIXBVDJYGUFG-KRWDZBQOSA-N 2 1 342.487 3.091 20 0 EGADMP CC(C)COc1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000449162610 310041440 /nfs/dbraw/zinc/04/14/40/310041440.db2.gz SLBAOKRZBZPXOT-GOSISDBHSA-N 2 1 346.515 3.312 20 0 EGADMP COc1ccc(-n2cc(C[NH2+]CC[C@@H](C)[NH+]3CCCCC3)cn2)cc1 ZINC000449242391 310047096 /nfs/dbraw/zinc/04/70/96/310047096.db2.gz XGIRAMUAIXRRDR-QGZVFWFLSA-N 2 1 342.487 3.235 20 0 EGADMP COc1cccc2c(C[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)cccc12 ZINC000449282629 310049954 /nfs/dbraw/zinc/04/99/54/310049954.db2.gz IHTWAYZGMKNCEN-QGZVFWFLSA-N 2 1 342.483 3.439 20 0 EGADMP Cc1cc(C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)ccc1-n1cncn1 ZINC000449383852 310057867 /nfs/dbraw/zinc/05/78/67/310057867.db2.gz KPAPPNPYXFYGQU-IBGZPJMESA-N 2 1 341.503 3.176 20 0 EGADMP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000449714820 310082195 /nfs/dbraw/zinc/08/21/95/310082195.db2.gz AEMLWOVEJCYMOM-IPMKNSEASA-N 2 1 330.516 3.284 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1ccsc1 ZINC000449799805 310088035 /nfs/dbraw/zinc/08/80/35/310088035.db2.gz AWRIUEVMQASCET-ROUUACIJSA-N 2 1 349.544 3.264 20 0 EGADMP C[N@@H+](CCN1CC[NH+](CC2=CCCCC2)CC1)Cc1ccccc1 ZINC000450393645 310119998 /nfs/dbraw/zinc/11/99/98/310119998.db2.gz OWWUFTLJHWHVPK-UHFFFAOYSA-N 2 1 327.516 3.236 20 0 EGADMP CCCc1ccc2[nH+]ccc(N[C@@H](C)CCN3CC[NH+](C)CC3)c2c1 ZINC000450460533 310123969 /nfs/dbraw/zinc/12/39/69/310123969.db2.gz ORGBTYJLCOUWEA-KRWDZBQOSA-N 2 1 340.515 3.047 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451697899 310192988 /nfs/dbraw/zinc/19/29/88/310192988.db2.gz IVADLDQVYMISFM-KPFFTGBYSA-N 2 1 325.456 3.164 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](NCC[NH+]3CCCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453074406 310256239 /nfs/dbraw/zinc/25/62/39/310256239.db2.gz GHJMKKPMCFWYSI-PCCBWWKXSA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCN3CCCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453074406 310256240 /nfs/dbraw/zinc/25/62/40/310256240.db2.gz GHJMKKPMCFWYSI-PCCBWWKXSA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCN3CCCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453074406 310256241 /nfs/dbraw/zinc/25/62/41/310256241.db2.gz GHJMKKPMCFWYSI-PCCBWWKXSA-N 2 1 327.516 3.115 20 0 EGADMP Cc1cc([C@@H](C)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000453109768 310258523 /nfs/dbraw/zinc/25/85/23/310258523.db2.gz AQZNQURXPJTXLX-VQIMIIECSA-N 2 1 330.497 3.344 20 0 EGADMP Cc1cc([C@@H](C)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000453109768 310258524 /nfs/dbraw/zinc/25/85/24/310258524.db2.gz AQZNQURXPJTXLX-VQIMIIECSA-N 2 1 330.497 3.344 20 0 EGADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453126240 310259691 /nfs/dbraw/zinc/25/96/91/310259691.db2.gz OSIQVZNMRIYTKJ-SQEGATDGSA-N 2 1 330.516 3.426 20 0 EGADMP C[C@@H](c1cccc(OCC[NH+](C)C)c1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453339492 310271930 /nfs/dbraw/zinc/27/19/30/310271930.db2.gz BVMQTQDWRPILPQ-FXAWDEMLSA-N 2 1 332.488 3.191 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CCOC(C)(C)C3)sc2C1 ZINC000453574650 310282500 /nfs/dbraw/zinc/28/25/00/310282500.db2.gz BXYPFAGRZKGVOG-CQSZACIVSA-N 2 1 337.533 3.204 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CCOC(C)(C)C3)sc2C1 ZINC000453574650 310282501 /nfs/dbraw/zinc/28/25/01/310282501.db2.gz BXYPFAGRZKGVOG-CQSZACIVSA-N 2 1 337.533 3.204 20 0 EGADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455894378 310381470 /nfs/dbraw/zinc/38/14/70/310381470.db2.gz CVOMICSPZHUWGZ-MDASCCDHSA-N 2 1 344.503 3.086 20 0 EGADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C[C@H]1C ZINC000455933969 310382711 /nfs/dbraw/zinc/38/27/11/310382711.db2.gz QSQMTRMFMDMWFU-VCBZYWHSSA-N 2 1 344.503 3.182 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1)C1CC1 ZINC000487472182 311025257 /nfs/dbraw/zinc/02/52/57/311025257.db2.gz WAWGXJUAFIOYCV-UYAOXDASSA-N 2 1 343.515 3.274 20 0 EGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CS1 ZINC000488447151 311066143 /nfs/dbraw/zinc/06/61/43/311066143.db2.gz ZKLIRRRNEQDBBW-CMKODMSKSA-N 2 1 348.556 3.133 20 0 EGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CS1 ZINC000488447151 311066144 /nfs/dbraw/zinc/06/61/44/311066144.db2.gz ZKLIRRRNEQDBBW-CMKODMSKSA-N 2 1 348.556 3.133 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000491547775 311184261 /nfs/dbraw/zinc/18/42/61/311184261.db2.gz QVFWLTKNCIBMBW-AWEZNQCLSA-N 2 1 348.922 3.489 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC[C@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000492213506 311226954 /nfs/dbraw/zinc/22/69/54/311226954.db2.gz BMPWYXPTJSXTEO-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495813786 311615077 /nfs/dbraw/zinc/61/50/77/311615077.db2.gz JJQFDMYGDGKFFS-OAHLLOKOSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506474290 312049944 /nfs/dbraw/zinc/04/99/44/312049944.db2.gz MFNWMHHLHGEZOF-FYQPLNBISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CCCOC1 ZINC000507480657 312074254 /nfs/dbraw/zinc/07/42/54/312074254.db2.gz PLAQHBUXSAZRMY-SJLPKXTDSA-N 2 1 334.479 3.237 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1CN[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508722198 312100840 /nfs/dbraw/zinc/10/08/40/312100840.db2.gz RLASPVPVOSFYOW-HLAWJBBLSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCCC[C@@H]1CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722198 312100843 /nfs/dbraw/zinc/10/08/43/312100843.db2.gz RLASPVPVOSFYOW-HLAWJBBLSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCCC[C@@H]1CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722198 312100846 /nfs/dbraw/zinc/10/08/46/312100846.db2.gz RLASPVPVOSFYOW-HLAWJBBLSA-N 2 1 329.532 3.361 20 0 EGADMP CCN1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722198 312100848 /nfs/dbraw/zinc/10/08/48/312100848.db2.gz RLASPVPVOSFYOW-HLAWJBBLSA-N 3 1 329.532 3.361 20 0 EGADMP CCN1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722198 312100851 /nfs/dbraw/zinc/10/08/51/312100851.db2.gz RLASPVPVOSFYOW-HLAWJBBLSA-N 3 1 329.532 3.361 20 0 EGADMP COC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000512294670 312182198 /nfs/dbraw/zinc/18/21/98/312182198.db2.gz JPVOTLHVLXSXKQ-VAMGGRTRSA-N 2 1 328.500 3.446 20 0 EGADMP Fc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1Cl ZINC000512444881 312186058 /nfs/dbraw/zinc/18/60/58/312186058.db2.gz TXOBYAIKPPPSSZ-UHFFFAOYSA-N 2 1 340.870 3.413 20 0 EGADMP CC[NH+](CC)CCCN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000514235564 312228798 /nfs/dbraw/zinc/22/87/98/312228798.db2.gz FIXWORUYCCDLPY-KXTWHKPSSA-N 2 1 331.548 3.465 20 0 EGADMP CC[NH+](CC)CCC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000514235564 312228799 /nfs/dbraw/zinc/22/87/99/312228799.db2.gz FIXWORUYCCDLPY-KXTWHKPSSA-N 3 1 331.548 3.465 20 0 EGADMP CC[NH+](CC)CCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000514235564 312228800 /nfs/dbraw/zinc/22/88/00/312228800.db2.gz FIXWORUYCCDLPY-KXTWHKPSSA-N 3 1 331.548 3.465 20 0 EGADMP C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000515048710 312262728 /nfs/dbraw/zinc/26/27/28/312262728.db2.gz QVZRJHVJQOMIAH-MAUKXSAKSA-N 2 1 340.471 3.185 20 0 EGADMP CCc1cccc2c(C3CC[NH+](C[C@H](O)C[N@H+](C)CC)CC3)c[nH]c21 ZINC000515178152 312269388 /nfs/dbraw/zinc/26/93/88/312269388.db2.gz HHCFOLZVMUCDQP-GOSISDBHSA-N 2 1 343.515 3.222 20 0 EGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ncccc3Cl)CC2)C[C@H](C)O1 ZINC000528365720 313074520 /nfs/dbraw/zinc/07/45/20/313074520.db2.gz CRHBIYOSWIAMSJ-GJZGRUSLSA-N 2 1 337.895 3.056 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534972653 314009295 /nfs/dbraw/zinc/00/92/95/314009295.db2.gz XJLZYWKJZNKCMT-LJQANCHMSA-N 2 1 335.923 3.335 20 0 EGADMP CC[C@@H](C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000536709314 314140582 /nfs/dbraw/zinc/14/05/82/314140582.db2.gz AQIXAZJUJQMGMM-FPOVZHCZSA-N 2 1 329.532 3.281 20 0 EGADMP Cc1cc([C@@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)C2CC2)ccc1F ZINC000538098563 314226669 /nfs/dbraw/zinc/22/66/69/314226669.db2.gz IDSGFVOVOCXROE-QUCCMNQESA-N 2 1 334.479 3.268 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000539558250 314320452 /nfs/dbraw/zinc/32/04/52/314320452.db2.gz LYYNAYMJXVLLPH-WBMJQRKESA-N 2 1 331.287 3.440 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000540139883 314364592 /nfs/dbraw/zinc/36/45/92/314364592.db2.gz GZXFGPRZMZOXNC-JENIJYKNSA-N 2 1 326.488 3.371 20 0 EGADMP CC[NH+]1CCC([NH2+]C2CCN(c3nc4ccccc4s3)CC2)CC1 ZINC000540396146 314378213 /nfs/dbraw/zinc/37/82/13/314378213.db2.gz ALUYTFCLDDGVNM-UHFFFAOYSA-N 2 1 344.528 3.339 20 0 EGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000547318793 314887744 /nfs/dbraw/zinc/88/77/44/314887744.db2.gz OVZBYJLFGXQRME-CABCVRRESA-N 2 1 329.488 3.354 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000549844298 315107652 /nfs/dbraw/zinc/10/76/52/315107652.db2.gz LXRPGWZMMSMYSU-SLYNCCJLSA-N 2 1 348.506 3.316 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000549844298 315107653 /nfs/dbraw/zinc/10/76/53/315107653.db2.gz LXRPGWZMMSMYSU-SLYNCCJLSA-N 2 1 348.506 3.316 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000549844298 315107656 /nfs/dbraw/zinc/10/76/56/315107656.db2.gz LXRPGWZMMSMYSU-SLYNCCJLSA-N 2 1 348.506 3.316 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000549844298 315107658 /nfs/dbraw/zinc/10/76/58/315107658.db2.gz LXRPGWZMMSMYSU-SLYNCCJLSA-N 2 1 348.506 3.316 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(Br)c3C2)CC[N@@H+]1C ZINC000550156377 315118387 /nfs/dbraw/zinc/11/83/87/315118387.db2.gz WEJYAHGBWKGELI-BPLDGKMQSA-N 2 1 337.305 3.379 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(Br)c3C2)CC[N@H+]1C ZINC000550156377 315118389 /nfs/dbraw/zinc/11/83/89/315118389.db2.gz WEJYAHGBWKGELI-BPLDGKMQSA-N 2 1 337.305 3.379 20 0 EGADMP COc1ccccc1OCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550610135 315130503 /nfs/dbraw/zinc/13/05/03/315130503.db2.gz NEHMBIAUHWJSOK-OALUTQOASA-N 2 1 340.467 3.499 20 0 EGADMP COc1ccccc1OCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550610135 315130505 /nfs/dbraw/zinc/13/05/05/315130505.db2.gz NEHMBIAUHWJSOK-OALUTQOASA-N 2 1 340.467 3.499 20 0 EGADMP COCC[NH+]1CCC([NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000550856547 315136351 /nfs/dbraw/zinc/13/63/51/315136351.db2.gz KWPDHADMVJWUNZ-KRWDZBQOSA-N 2 1 344.421 3.423 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000553781151 315282448 /nfs/dbraw/zinc/28/24/48/315282448.db2.gz ALOXJLBNLOFFPJ-GUDVDZBRSA-N 2 1 337.552 3.077 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000555232921 315374502 /nfs/dbraw/zinc/37/45/02/315374502.db2.gz PUQVHSGVFNXXBT-KNJMJIDISA-N 2 1 340.552 3.307 20 0 EGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000563349819 316003594 /nfs/dbraw/zinc/00/35/94/316003594.db2.gz KCLCCODZHMCRSA-TZMCWYRMSA-N 2 1 338.377 3.203 20 0 EGADMP Cc1ccc(C[NH2+]Cc2ccncc2OCC[NH+](C)C)c(Cl)c1 ZINC000564459392 316155789 /nfs/dbraw/zinc/15/57/89/316155789.db2.gz YIJRKFLJMRIMSJ-UHFFFAOYSA-N 2 1 333.863 3.274 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H]([NH3+])Cc3ccccc3)c2C1 ZINC000564731663 316196432 /nfs/dbraw/zinc/19/64/32/316196432.db2.gz USIMMTHGWWQAIB-SFHVURJKSA-N 2 1 337.467 3.311 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H]([NH3+])Cc3ccccc3)c2C1 ZINC000564731663 316196436 /nfs/dbraw/zinc/19/64/36/316196436.db2.gz USIMMTHGWWQAIB-SFHVURJKSA-N 2 1 337.467 3.311 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCCCC3(C)C)CC2)CC1 ZINC000565185591 316285601 /nfs/dbraw/zinc/28/56/01/316285601.db2.gz JNXANEJCJFZTLK-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000565313097 316308314 /nfs/dbraw/zinc/30/83/14/316308314.db2.gz ZQHOAFDNVZKTLA-SJLPKXTDSA-N 2 1 337.467 3.494 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000570895331 317122357 /nfs/dbraw/zinc/12/23/57/317122357.db2.gz QEMDQPROZBXOAV-XMSQKQJNSA-N 2 1 341.543 3.337 20 0 EGADMP C[C@H]1C[C@H](NCc2n[nH]c(C(C)(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000571288559 317179203 /nfs/dbraw/zinc/17/92/03/317179203.db2.gz QGWSPAHFUGVWFI-DOTOQJQBSA-N 2 1 341.503 3.245 20 0 EGADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(O)c1 ZINC000571368441 317187940 /nfs/dbraw/zinc/18/79/40/317187940.db2.gz WNPHWSBSQSMCBM-CRAIPNDOSA-N 2 1 345.512 3.093 20 0 EGADMP CN(CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000571557218 317216919 /nfs/dbraw/zinc/21/69/19/317216919.db2.gz VPJARJMYXOGLFR-WIYYLYMNSA-N 2 1 327.516 3.462 20 0 EGADMP CN(CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000571557218 317216922 /nfs/dbraw/zinc/21/69/22/317216922.db2.gz VPJARJMYXOGLFR-WIYYLYMNSA-N 2 1 327.516 3.462 20 0 EGADMP CN(CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000571557218 317216925 /nfs/dbraw/zinc/21/69/25/317216925.db2.gz VPJARJMYXOGLFR-WIYYLYMNSA-N 2 1 327.516 3.462 20 0 EGADMP CN(CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000571557218 317216928 /nfs/dbraw/zinc/21/69/28/317216928.db2.gz VPJARJMYXOGLFR-WIYYLYMNSA-N 2 1 327.516 3.462 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@H]2c2nc3ccccc3n2C)CC[NH2+]1 ZINC000571770154 317245339 /nfs/dbraw/zinc/24/53/39/317245339.db2.gz MDWQFYWTNDCGCK-MDZRGWNJSA-N 2 1 326.488 3.488 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Br ZINC000252870497 455829860 /nfs/dbraw/zinc/82/98/60/455829860.db2.gz SKHOZZQTEFSCSV-KCQAQPDRSA-N 2 1 339.277 3.017 20 0 EGADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Br ZINC000228537329 456123362 /nfs/dbraw/zinc/12/33/62/456123362.db2.gz SKHOZZQTEFSCSV-GZBFAFLISA-N 2 1 339.277 3.017 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Br ZINC000228537329 456123366 /nfs/dbraw/zinc/12/33/66/456123366.db2.gz SKHOZZQTEFSCSV-GZBFAFLISA-N 2 1 339.277 3.017 20 0 EGADMP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379664182 324240579 /nfs/dbraw/zinc/24/05/79/324240579.db2.gz OFNZUNZJVTWJOS-VAMGGRTRSA-N 2 1 343.515 3.065 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386483755 324267533 /nfs/dbraw/zinc/26/75/33/324267533.db2.gz IUAOAMYNMGXKGU-YYWHXJBOSA-N 2 1 336.479 3.490 20 0 EGADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000316765105 456614576 /nfs/dbraw/zinc/61/45/76/456614576.db2.gz DBTGYOGWONWBIA-SMDDNHRTSA-N 2 1 344.286 3.381 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[N@@H+]2CCC(C)(C)C2)cc1 ZINC000579975413 325186408 /nfs/dbraw/zinc/18/64/08/325186408.db2.gz ROOKVWQWNYSHRF-HNNXBMFYSA-N 2 1 340.471 3.090 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[N@H+]2CCC(C)(C)C2)cc1 ZINC000579975413 325186409 /nfs/dbraw/zinc/18/64/09/325186409.db2.gz ROOKVWQWNYSHRF-HNNXBMFYSA-N 2 1 340.471 3.090 20 0 EGADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000581543347 325370234 /nfs/dbraw/zinc/37/02/34/325370234.db2.gz CMENEVHSFUUQEJ-VQTJNVASSA-N 2 1 348.531 3.001 20 0 EGADMP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000583617012 325538642 /nfs/dbraw/zinc/53/86/42/325538642.db2.gz JBUFODLFZLJABX-OCCSQVGLSA-N 2 1 332.473 3.323 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc(Cl)c1OC ZINC000442920379 459061908 /nfs/dbraw/zinc/06/19/08/459061908.db2.gz LCOKQTZZUBRNIM-ZDUSSCGKSA-N 2 1 326.868 3.308 20 0 EGADMP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631843910 460579262 /nfs/dbraw/zinc/57/92/62/460579262.db2.gz CGGCIZKSPSGCLH-GWCFXTLKSA-N 2 1 340.258 3.052 20 0 EGADMP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631843910 460579269 /nfs/dbraw/zinc/57/92/69/460579269.db2.gz CGGCIZKSPSGCLH-GWCFXTLKSA-N 2 1 340.258 3.052 20 0 EGADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631844967 460579392 /nfs/dbraw/zinc/57/93/92/460579392.db2.gz QKQVPSKRMUPRSJ-ZWNOBZJWSA-N 2 1 340.258 3.052 20 0 EGADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631844967 460579397 /nfs/dbraw/zinc/57/93/97/460579397.db2.gz QKQVPSKRMUPRSJ-ZWNOBZJWSA-N 2 1 340.258 3.052 20 0 EGADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1ccccc1Cl ZINC000075836588 453930056 /nfs/dbraw/zinc/93/00/56/453930056.db2.gz IPXTXVRDVCTMLD-MRXNPFEDSA-N 2 1 349.906 3.476 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000067507204 453936473 /nfs/dbraw/zinc/93/64/73/453936473.db2.gz PGJGGXGPXVGQNA-FQEVSTJZSA-N 2 1 340.515 3.368 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000067507204 453936475 /nfs/dbraw/zinc/93/64/75/453936475.db2.gz PGJGGXGPXVGQNA-FQEVSTJZSA-N 2 1 340.515 3.368 20 0 EGADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000181863120 455391956 /nfs/dbraw/zinc/39/19/56/455391956.db2.gz UMWPASKJDXFLTH-ZWKOTPCHSA-N 2 1 346.519 3.246 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@@H]2c2ccco2)CC1 ZINC000076803593 454039178 /nfs/dbraw/zinc/03/91/78/454039178.db2.gz CHGUIJHZJGCOHH-GOSISDBHSA-N 2 1 347.503 3.186 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@@H]2c2ccco2)CC1 ZINC000076803593 454039180 /nfs/dbraw/zinc/03/91/80/454039180.db2.gz CHGUIJHZJGCOHH-GOSISDBHSA-N 2 1 347.503 3.186 20 0 EGADMP CN(CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1)C(=O)OC(C)(C)C ZINC000089427471 454147669 /nfs/dbraw/zinc/14/76/69/454147669.db2.gz IYZBYOARULVHHZ-KRWDZBQOSA-N 2 1 339.524 3.050 20 0 EGADMP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843985 454151220 /nfs/dbraw/zinc/15/12/20/454151220.db2.gz WBQVIAUWKSRMMU-KRWDZBQOSA-N 2 1 345.531 3.134 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000057893733 454155560 /nfs/dbraw/zinc/15/55/60/454155560.db2.gz JZSOSRRAIDJIBF-PMACEKPBSA-N 2 1 339.483 3.099 20 0 EGADMP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000089513706 454158550 /nfs/dbraw/zinc/15/85/50/454158550.db2.gz DVVCLHLKTDBPQZ-JTDSTZFVSA-N 2 1 331.504 3.491 20 0 EGADMP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000089513706 454158552 /nfs/dbraw/zinc/15/85/52/454158552.db2.gz DVVCLHLKTDBPQZ-JTDSTZFVSA-N 2 1 331.504 3.491 20 0 EGADMP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)NC1CCCCCC1 ZINC000058470739 454207530 /nfs/dbraw/zinc/20/75/30/454207530.db2.gz JHYKNDGLHQPNTK-UHFFFAOYSA-N 2 1 349.563 3.413 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCNC(=O)OC(C)(C)C)cc1 ZINC000119813050 454223622 /nfs/dbraw/zinc/22/36/22/454223622.db2.gz WFRGIJZTTNETGZ-AWEZNQCLSA-N 2 1 344.459 3.356 20 0 EGADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000120020298 454247802 /nfs/dbraw/zinc/24/78/02/454247802.db2.gz AALJKAHCMRLYGO-QAPCUYQASA-N 2 1 345.487 3.456 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCSc2ccccc2)CC1 ZINC000071910851 454253733 /nfs/dbraw/zinc/25/37/33/454253733.db2.gz GRGZZLUWUCKTJI-OALUTQOASA-N 2 1 347.572 3.269 20 0 EGADMP Cc1ccc([C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[NH+]2CCCC2)o1 ZINC000078724358 454305805 /nfs/dbraw/zinc/30/58/05/454305805.db2.gz PRFNEUYHSZZCHZ-MSOLQXFVSA-N 2 1 347.503 3.106 20 0 EGADMP C[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000120538351 454316102 /nfs/dbraw/zinc/31/61/02/454316102.db2.gz KFIJRLWCMAAYKH-MHORFTMASA-N 2 1 347.503 3.184 20 0 EGADMP C[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000120538351 454316110 /nfs/dbraw/zinc/31/61/10/454316110.db2.gz KFIJRLWCMAAYKH-MHORFTMASA-N 2 1 347.503 3.184 20 0 EGADMP COCCC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000090535333 454317374 /nfs/dbraw/zinc/31/73/74/454317374.db2.gz KWCOVJNSSJDOPJ-UHFFFAOYSA-N 2 1 334.479 3.239 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCCO1 ZINC000090857098 454345897 /nfs/dbraw/zinc/34/58/97/454345897.db2.gz JVUPUVSSZCKDND-VQTJNVASSA-N 2 1 334.479 3.380 20 0 EGADMP CCc1ccc(-c2ccc(C[NH2+][C@H](C)CN3CC[NH+](C)CC3)o2)cc1 ZINC000072922541 454362798 /nfs/dbraw/zinc/36/27/98/454362798.db2.gz XLDYCZODWWZYTK-QGZVFWFLSA-N 2 1 341.499 3.235 20 0 EGADMP c1ccc2c(c1)SCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132848471 454370870 /nfs/dbraw/zinc/37/08/70/454370870.db2.gz NXSOGFBCXMUWDD-MAUKXSAKSA-N 2 1 332.513 3.314 20 0 EGADMP CCc1nc2c(s1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCC2 ZINC000132971261 454381422 /nfs/dbraw/zinc/38/14/22/454381422.db2.gz HPBZNRDNIHCWNP-GDBMZVCRSA-N 2 1 349.544 3.173 20 0 EGADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000063341591 454407924 /nfs/dbraw/zinc/40/79/24/454407924.db2.gz DPGSWVRIQWBHML-HXUWFJFHSA-N 2 1 343.515 3.060 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000121432328 454434244 /nfs/dbraw/zinc/43/42/44/454434244.db2.gz ZCXZYVITXSXLIX-KBPBESRZSA-N 2 1 340.471 3.408 20 0 EGADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc2c(c1)OCCO2 ZINC000121443823 454436264 /nfs/dbraw/zinc/43/62/64/454436264.db2.gz YUYKLSJSALAUHJ-PBHICJAKSA-N 2 1 329.444 3.340 20 0 EGADMP Cc1ccc([C@H](CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)N2CCCC2)o1 ZINC000101678531 454480160 /nfs/dbraw/zinc/48/01/60/454480160.db2.gz QQFTVYMXCWGIEN-MVJTYMMSSA-N 2 1 347.503 3.102 20 0 EGADMP Cc1ccc([C@H](CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)[NH+]2CCCC2)o1 ZINC000101678531 454480165 /nfs/dbraw/zinc/48/01/65/454480165.db2.gz QQFTVYMXCWGIEN-MVJTYMMSSA-N 2 1 347.503 3.102 20 0 EGADMP C[C@@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)Cn1ccnc1 ZINC000080197736 454548985 /nfs/dbraw/zinc/54/89/85/454548985.db2.gz JWWCSMSWEQVTAY-SFHVURJKSA-N 2 1 328.504 3.267 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191171466 455457465 /nfs/dbraw/zinc/45/74/65/455457465.db2.gz ZSYBSLYQXLENHY-KRWDZBQOSA-N 2 1 349.567 3.015 20 0 EGADMP CCOc1cccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000092664363 454604710 /nfs/dbraw/zinc/60/47/10/454604710.db2.gz SAGDLPOZSMKRTR-RTBURBONSA-N 2 1 345.531 3.076 20 0 EGADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134937128 454613299 /nfs/dbraw/zinc/61/32/99/454613299.db2.gz LJPLLMZCDFDARJ-YLJYHZDGSA-N 2 1 328.456 3.061 20 0 EGADMP CC(=O)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134937128 454613303 /nfs/dbraw/zinc/61/33/03/454613303.db2.gz LJPLLMZCDFDARJ-YLJYHZDGSA-N 2 1 328.456 3.061 20 0 EGADMP CC(=O)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134937128 454613305 /nfs/dbraw/zinc/61/33/05/454613305.db2.gz LJPLLMZCDFDARJ-YLJYHZDGSA-N 2 1 328.456 3.061 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)s1 ZINC000092720720 454616603 /nfs/dbraw/zinc/61/66/03/454616603.db2.gz URMBLEDPROIYNS-OAHLLOKOSA-N 2 1 339.549 3.413 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)s1 ZINC000092739874 454621909 /nfs/dbraw/zinc/62/19/09/454621909.db2.gz XAPBADOEBJDMEP-ZIAGYGMSSA-N 2 1 325.522 3.023 20 0 EGADMP Cc1nccn1CCC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820936 454640210 /nfs/dbraw/zinc/64/02/10/454640210.db2.gz OJDRYPNTPWDRBA-UHFFFAOYSA-N 2 1 341.503 3.215 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820936 454640214 /nfs/dbraw/zinc/64/02/14/454640214.db2.gz OJDRYPNTPWDRBA-UHFFFAOYSA-N 3 1 341.503 3.215 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820936 454640218 /nfs/dbraw/zinc/64/02/18/454640218.db2.gz OJDRYPNTPWDRBA-UHFFFAOYSA-N 3 1 341.503 3.215 20 0 EGADMP Cc1ccn2c(C[N@@H+]3CC[C@@H](CNc4cccc(C)[nH+]4)C3)cnc2c1 ZINC000092813164 454640246 /nfs/dbraw/zinc/64/02/46/454640246.db2.gz QGVFQNAVLQBJNE-KRWDZBQOSA-N 2 1 335.455 3.280 20 0 EGADMP Cc1ccn2c(C[N@H+]3CC[C@@H](CNc4cccc(C)[nH+]4)C3)cnc2c1 ZINC000092813164 454640250 /nfs/dbraw/zinc/64/02/50/454640250.db2.gz QGVFQNAVLQBJNE-KRWDZBQOSA-N 2 1 335.455 3.280 20 0 EGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCN1CCCCC1 ZINC000092821268 454640454 /nfs/dbraw/zinc/64/04/54/454640454.db2.gz AHPYHQZJPJUBQP-UHFFFAOYSA-N 2 1 330.520 3.106 20 0 EGADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC[NH+]1CCCCC1 ZINC000092821268 454640458 /nfs/dbraw/zinc/64/04/58/454640458.db2.gz AHPYHQZJPJUBQP-UHFFFAOYSA-N 2 1 330.520 3.106 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000105476980 454640565 /nfs/dbraw/zinc/64/05/65/454640565.db2.gz OZYJFXVHCAGZJR-UHFFFAOYSA-N 2 1 330.303 3.111 20 0 EGADMP Cc1ccccc1OCCC[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000123566161 454653113 /nfs/dbraw/zinc/65/31/13/454653113.db2.gz PVKQQLHGUPUCJX-SFHVURJKSA-N 2 1 327.472 3.452 20 0 EGADMP COc1ccc2cc(C[NH+]3CCC([N@H+](C)CCCO)CC3)ccc2c1 ZINC000093394735 454711760 /nfs/dbraw/zinc/71/17/60/454711760.db2.gz AWOUIAGCSJBDKJ-UHFFFAOYSA-N 2 1 342.483 3.127 20 0 EGADMP COc1ccc2cc(C[NH+]3CCC([N@@H+](C)CCCO)CC3)ccc2c1 ZINC000093394735 454711766 /nfs/dbraw/zinc/71/17/66/454711766.db2.gz AWOUIAGCSJBDKJ-UHFFFAOYSA-N 2 1 342.483 3.127 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000136323459 454735638 /nfs/dbraw/zinc/73/56/38/454735638.db2.gz BKDOSNVGOQGTDN-WAOWUJCRSA-N 3 1 340.515 3.328 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000176494872 454752038 /nfs/dbraw/zinc/75/20/38/454752038.db2.gz BWIYZXTYWKCMNP-ABSDTBQOSA-N 2 1 326.488 3.253 20 0 EGADMP COC[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000124634736 454754792 /nfs/dbraw/zinc/75/47/92/454754792.db2.gz DJPDKVUHEZDTQQ-QKLQHJQFSA-N 2 1 334.504 3.056 20 0 EGADMP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H]1CCOC1 ZINC000124635773 454755229 /nfs/dbraw/zinc/75/52/29/454755229.db2.gz CVSFRTHAERDYLZ-OVQGTLEDSA-N 2 1 346.515 3.201 20 0 EGADMP CC1CC[NH+]([C@H](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)c2cccs2)CC1 ZINC000153416312 454792082 /nfs/dbraw/zinc/79/20/82/454792082.db2.gz HRVJLMRXLGDZHG-RCCFBDPRSA-N 2 1 335.561 3.451 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1cnn(C)c1 ZINC000164505732 454883000 /nfs/dbraw/zinc/88/30/00/454883000.db2.gz QVMQRHNROPDTQJ-INIZCTEOSA-N 2 1 338.455 3.496 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000177697007 454892985 /nfs/dbraw/zinc/89/29/85/454892985.db2.gz MJNUEVFNMRVDTD-LLGFUMIMSA-N 2 1 345.506 3.303 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000177697007 454892989 /nfs/dbraw/zinc/89/29/89/454892989.db2.gz MJNUEVFNMRVDTD-LLGFUMIMSA-N 2 1 345.506 3.303 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cncc(F)c1 ZINC000165328583 454898866 /nfs/dbraw/zinc/89/88/66/454898866.db2.gz FCCTXAKAUFOTDA-WMZOPIPTSA-N 2 1 327.447 3.436 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cncc(F)c1 ZINC000165328583 454898870 /nfs/dbraw/zinc/89/88/70/454898870.db2.gz FCCTXAKAUFOTDA-WMZOPIPTSA-N 2 1 327.447 3.436 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2cc1C ZINC000150841682 454900499 /nfs/dbraw/zinc/90/04/99/454900499.db2.gz FGVZOVAPCDTHNP-KRWDZBQOSA-N 2 1 340.467 3.328 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2cc1C ZINC000150841682 454900503 /nfs/dbraw/zinc/90/05/03/454900503.db2.gz FGVZOVAPCDTHNP-KRWDZBQOSA-N 2 1 340.467 3.328 20 0 EGADMP CCc1ccc2c(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc(=O)oc2c1 ZINC000150857290 454902729 /nfs/dbraw/zinc/90/27/29/454902729.db2.gz FEOGUOMFSYYRHG-QGZVFWFLSA-N 2 1 340.467 3.273 20 0 EGADMP CCc1ccc2c(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc(=O)oc2c1 ZINC000150857290 454902731 /nfs/dbraw/zinc/90/27/31/454902731.db2.gz FEOGUOMFSYYRHG-QGZVFWFLSA-N 2 1 340.467 3.273 20 0 EGADMP FC(F)(F)COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000126635274 454907444 /nfs/dbraw/zinc/90/74/44/454907444.db2.gz AHWLEFBLCTYBLK-LSDHHAIUSA-N 2 1 328.378 3.344 20 0 EGADMP c1ccc(COc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)nc1 ZINC000126644865 454907780 /nfs/dbraw/zinc/90/77/80/454907780.db2.gz RGXCMFOANGDOTG-UYAOXDASSA-N 2 1 337.467 3.377 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000155060773 454958806 /nfs/dbraw/zinc/95/88/06/454958806.db2.gz KGODOHXWDQUZNY-AQNXPRMDSA-N 2 1 343.515 3.012 20 0 EGADMP Fc1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Br ZINC000127401768 454961728 /nfs/dbraw/zinc/96/17/28/454961728.db2.gz AEROFFWDZBXALS-CHWSQXEVSA-N 2 1 327.241 3.305 20 0 EGADMP Fc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Br ZINC000127401768 454961730 /nfs/dbraw/zinc/96/17/30/454961730.db2.gz AEROFFWDZBXALS-CHWSQXEVSA-N 2 1 327.241 3.305 20 0 EGADMP Fc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Br ZINC000127401768 454961733 /nfs/dbraw/zinc/96/17/33/454961733.db2.gz AEROFFWDZBXALS-CHWSQXEVSA-N 2 1 327.241 3.305 20 0 EGADMP FC(F)(F)c1ccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000178954829 454993470 /nfs/dbraw/zinc/99/34/70/454993470.db2.gz LFPCPGLUSRQGMD-LSDHHAIUSA-N 2 1 328.378 3.301 20 0 EGADMP O[C@@H](C[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1)c1cccs1 ZINC000178976628 454995087 /nfs/dbraw/zinc/99/50/87/454995087.db2.gz HVFGEZNBGPTNDF-SFHVURJKSA-N 2 1 330.497 3.283 20 0 EGADMP C[C@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(F)cc(F)c1 ZINC000151791741 455030778 /nfs/dbraw/zinc/03/07/78/455030778.db2.gz LMKDRFMNQVOCMU-XOBRGWDASA-N 2 1 346.421 3.035 20 0 EGADMP C[C@H](NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(F)cc(F)c1 ZINC000151791741 455030783 /nfs/dbraw/zinc/03/07/83/455030783.db2.gz LMKDRFMNQVOCMU-XOBRGWDASA-N 2 1 346.421 3.035 20 0 EGADMP C[C@@H](N[C@@H](C)C[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000151856201 455039631 /nfs/dbraw/zinc/03/96/31/455039631.db2.gz YZAGSEKHAGRYGB-ZWKOTPCHSA-N 2 1 333.520 3.152 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623655903 460662300 /nfs/dbraw/zinc/66/23/00/460662300.db2.gz IIZITFZLDODFFZ-KRWDZBQOSA-N 2 1 344.478 3.450 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623655903 460662307 /nfs/dbraw/zinc/66/23/07/460662307.db2.gz IIZITFZLDODFFZ-KRWDZBQOSA-N 2 1 344.478 3.450 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000156450927 455119611 /nfs/dbraw/zinc/11/96/11/455119611.db2.gz WWELZWGRSFOXON-IGCXYCKISA-N 2 1 348.397 3.071 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1cccc(OC)c1 ZINC000119040656 455121473 /nfs/dbraw/zinc/12/14/73/455121473.db2.gz ZJHNLIWLACXTGX-PWIZWCRZSA-N 2 1 333.520 3.008 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656869 460663702 /nfs/dbraw/zinc/66/37/02/460663702.db2.gz DMSJCEXGJYIEEY-INIZCTEOSA-N 2 1 330.451 3.141 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656869 460663710 /nfs/dbraw/zinc/66/37/10/460663710.db2.gz DMSJCEXGJYIEEY-INIZCTEOSA-N 2 1 330.451 3.141 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC[N@@H+]1C ZINC000156567665 455133864 /nfs/dbraw/zinc/13/38/64/455133864.db2.gz WVQFYRVXITWAGV-JLZZUVOBSA-N 2 1 337.305 3.379 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC[N@H+]1C ZINC000156567665 455133867 /nfs/dbraw/zinc/13/38/67/455133867.db2.gz WVQFYRVXITWAGV-JLZZUVOBSA-N 2 1 337.305 3.379 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000180110963 455133865 /nfs/dbraw/zinc/13/38/65/455133865.db2.gz ALQNCKGPRGIFJG-WIYYLYMNSA-N 2 1 329.532 3.236 20 0 EGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000623655522 460664161 /nfs/dbraw/zinc/66/41/61/460664161.db2.gz YWKQUMRYZCKCHF-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000623655522 460664164 /nfs/dbraw/zinc/66/41/64/460664164.db2.gz YWKQUMRYZCKCHF-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP CC(C)n1cc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000180181615 455145790 /nfs/dbraw/zinc/14/57/90/455145790.db2.gz MPAAZYOZXSOQJQ-HDICACEKSA-N 2 1 348.535 3.175 20 0 EGADMP C[C@@H](C[C@H]1CCCO1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000156736460 455147587 /nfs/dbraw/zinc/14/75/87/455147587.db2.gz JXPHNASXBXCDPA-OXJNMPFZSA-N 2 1 334.479 3.380 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000182834263 455174377 /nfs/dbraw/zinc/17/43/77/455174377.db2.gz XKQRNLQZKLDKNL-HXUWFJFHSA-N 2 1 333.495 3.066 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000237472643 455188059 /nfs/dbraw/zinc/18/80/59/455188059.db2.gz RARVIZCHMQHGHH-MBOZVWFJSA-N 2 1 343.515 3.052 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(C[NH3+])o2)cc1 ZINC000237527409 455192593 /nfs/dbraw/zinc/19/25/93/455192593.db2.gz JYRJVBIANFRTNV-AWEZNQCLSA-N 2 1 327.428 3.365 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(Br)s1 ZINC000237536150 455192832 /nfs/dbraw/zinc/19/28/32/455192832.db2.gz NJYYZHXSNKLCSM-SNVBAGLBSA-N 2 1 328.279 3.441 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)[NH+](C)C ZINC000157496029 455200324 /nfs/dbraw/zinc/20/03/24/455200324.db2.gz ABFRLDXVFIOYOZ-MJGOQNOKSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(F)ccc1F ZINC000180642250 455215943 /nfs/dbraw/zinc/21/59/43/455215943.db2.gz MIEKCFLHVHMIGC-KDOFPFPSSA-N 2 1 346.421 3.382 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(F)c1 ZINC000180642383 455216094 /nfs/dbraw/zinc/21/60/94/455216094.db2.gz CLBBOOIBBSFUEM-YWZLYKJASA-N 2 1 328.431 3.243 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)cc1)C(C)C ZINC000265317979 455304066 /nfs/dbraw/zinc/30/40/66/455304066.db2.gz QCEWJEZCKAYLJB-LJQANCHMSA-N 2 1 345.531 3.331 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1)C(C)C ZINC000265317979 455304069 /nfs/dbraw/zinc/30/40/69/455304069.db2.gz QCEWJEZCKAYLJB-LJQANCHMSA-N 2 1 345.531 3.331 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1)C(C)C ZINC000265317979 455304072 /nfs/dbraw/zinc/30/40/72/455304072.db2.gz QCEWJEZCKAYLJB-LJQANCHMSA-N 2 1 345.531 3.331 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158688080 455322517 /nfs/dbraw/zinc/32/25/17/455322517.db2.gz VBMUHAPVMUYNML-KSZLIROESA-N 2 1 341.503 3.286 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245537336 455324351 /nfs/dbraw/zinc/32/43/51/455324351.db2.gz IWDAGWPDYDXWGB-TZIWHRDSSA-N 2 1 346.515 3.408 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245537336 455324355 /nfs/dbraw/zinc/32/43/55/455324355.db2.gz IWDAGWPDYDXWGB-TZIWHRDSSA-N 2 1 346.515 3.408 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000246291568 455465119 /nfs/dbraw/zinc/46/51/19/455465119.db2.gz NIKMAINPTNYCLT-ZHALLVOQSA-N 2 1 345.531 3.339 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266917008 455474372 /nfs/dbraw/zinc/47/43/72/455474372.db2.gz KUUNKAAADFAYGJ-MSOLQXFVSA-N 2 1 340.471 3.199 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000191520556 455492801 /nfs/dbraw/zinc/49/28/01/455492801.db2.gz HUDSTJCFGZTBPW-MSOLQXFVSA-N 2 1 348.535 3.337 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000191520556 455492807 /nfs/dbraw/zinc/49/28/07/455492807.db2.gz HUDSTJCFGZTBPW-MSOLQXFVSA-N 2 1 348.535 3.337 20 0 EGADMP Cc1nc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000246503462 455502303 /nfs/dbraw/zinc/50/23/03/455502303.db2.gz STBAXMFSEQFPKI-RRQGHBQHSA-N 2 1 337.533 3.178 20 0 EGADMP Cc1nc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000246503449 455502511 /nfs/dbraw/zinc/50/25/11/455502511.db2.gz STBAXMFSEQFPKI-IAOVAPTHSA-N 2 1 337.533 3.178 20 0 EGADMP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccc(F)cc3Cl)CC[C@H]21 ZINC000246764108 455523612 /nfs/dbraw/zinc/52/36/12/455523612.db2.gz PQJIXJBAGLMACZ-XJKSGUPXSA-N 2 1 326.843 3.274 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccc(F)cc3Cl)CC[C@H]21 ZINC000246764108 455523615 /nfs/dbraw/zinc/52/36/15/455523615.db2.gz PQJIXJBAGLMACZ-XJKSGUPXSA-N 2 1 326.843 3.274 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccc(F)cc3Cl)CC[C@H]21 ZINC000246764108 455523618 /nfs/dbraw/zinc/52/36/18/455523618.db2.gz PQJIXJBAGLMACZ-XJKSGUPXSA-N 2 1 326.843 3.274 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccc(F)cc3Cl)CC[C@H]21 ZINC000246764108 455523620 /nfs/dbraw/zinc/52/36/20/455523620.db2.gz PQJIXJBAGLMACZ-XJKSGUPXSA-N 2 1 326.843 3.274 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000246823490 455527409 /nfs/dbraw/zinc/52/74/09/455527409.db2.gz CJFRHPCFZKCOCY-IKGGRYGDSA-N 2 1 339.524 3.001 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(N(C)C)nc3ccccc23)[C@@H](C)C1 ZINC000247076716 455555698 /nfs/dbraw/zinc/55/56/98/455555698.db2.gz NIWIRZWFTUENFH-YJBOKZPZSA-N 2 1 326.488 3.121 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([S@@](C)=O)cc1 ZINC000247174619 455569067 /nfs/dbraw/zinc/56/90/67/455569067.db2.gz UUXFQHMQHWMHIL-BMCPXHGSSA-N 2 1 336.545 3.443 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([S@@](C)=O)cc1 ZINC000247174619 455569070 /nfs/dbraw/zinc/56/90/70/455569070.db2.gz UUXFQHMQHWMHIL-BMCPXHGSSA-N 2 1 336.545 3.443 20 0 EGADMP CCOC[C@@H]1CCC[NH+](C[C@@H](C)C[N@@H+]2CCC[C@H](COCC)C2)C1 ZINC000247215594 455574701 /nfs/dbraw/zinc/57/47/01/455574701.db2.gz WEHUEJXMPYNUOE-OWZKRDHZSA-N 2 1 340.552 3.120 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)[C@@H](C)C1 ZINC000247230685 455576348 /nfs/dbraw/zinc/57/63/48/455576348.db2.gz YGMMOKWMEAUPJP-YJBOKZPZSA-N 2 1 332.492 3.036 20 0 EGADMP COc1cccc(OCC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185672743 455593775 /nfs/dbraw/zinc/59/37/75/455593775.db2.gz GBHUPBKMGYZXQP-SJORKVTESA-N 2 1 332.488 3.317 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3c(O)cccc32)[C@H](C)C1 ZINC000283939878 455614234 /nfs/dbraw/zinc/61/42/34/455614234.db2.gz FJCFFDZMFRUWLT-UXPWSPDFSA-N 2 1 346.515 3.496 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@H](c2ccccc2OC)[NH+]2CCCC2)[C@H](C)C1 ZINC000247888407 455651790 /nfs/dbraw/zinc/65/17/90/455651790.db2.gz DPYPVYHFPYZKQV-YZGWKJHDSA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2OC)N2CCCC2)[C@H](C)C1 ZINC000247888407 455651794 /nfs/dbraw/zinc/65/17/94/455651794.db2.gz DPYPVYHFPYZKQV-YZGWKJHDSA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2OC)N2CCCC2)[C@H](C)C1 ZINC000247888407 455651800 /nfs/dbraw/zinc/65/18/00/455651800.db2.gz DPYPVYHFPYZKQV-YZGWKJHDSA-N 2 1 345.531 3.152 20 0 EGADMP O[C@@H]([C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1)C(F)(F)F ZINC000277812184 455673370 /nfs/dbraw/zinc/67/33/70/455673370.db2.gz QGLGYFIMBXVBBL-HOCLYGCPSA-N 2 1 339.361 3.008 20 0 EGADMP CC[C@@H](Cc1ccccc1Br)[NH2+]C1CC[NH+](C)CC1 ZINC000271563573 455685264 /nfs/dbraw/zinc/68/52/64/455685264.db2.gz XYSKDFRHVXNZPC-AWEZNQCLSA-N 2 1 325.294 3.454 20 0 EGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000248186261 455697029 /nfs/dbraw/zinc/69/70/29/455697029.db2.gz XKXWQTVLLSJZRN-ZBFHGGJFSA-N 2 1 340.895 3.236 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](Cc2ccccc2C)C2CC2)CC1 ZINC000284550651 455705014 /nfs/dbraw/zinc/70/50/14/455705014.db2.gz XWIVRRYZSPXHKR-JOCHJYFZSA-N 2 1 343.559 3.323 20 0 EGADMP O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000268751099 455713152 /nfs/dbraw/zinc/71/31/52/455713152.db2.gz CJMMVYGSYPIJOF-RUXRUEEXSA-N 2 1 339.483 3.036 20 0 EGADMP O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000268751099 455713154 /nfs/dbraw/zinc/71/31/54/455713154.db2.gz CJMMVYGSYPIJOF-RUXRUEEXSA-N 2 1 339.483 3.036 20 0 EGADMP COc1cc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)cc(OC)c1OC ZINC000192901141 455715067 /nfs/dbraw/zinc/71/50/67/455715067.db2.gz AQLWUKMISFXYRY-OAHLLOKOSA-N 2 1 336.476 3.239 20 0 EGADMP COCCOc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000268885605 455718554 /nfs/dbraw/zinc/71/85/54/455718554.db2.gz LCIDKAZPKQJJJN-MRXNPFEDSA-N 2 1 331.460 3.348 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(-n2cc(Cl)cn2)n1 ZINC000248698524 455726349 /nfs/dbraw/zinc/72/63/49/455726349.db2.gz LYJMBJNPKUIANW-HACGYAERSA-N 2 1 347.894 3.047 20 0 EGADMP C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccnn1C ZINC000192961191 455726703 /nfs/dbraw/zinc/72/67/03/455726703.db2.gz KLXNMOCHKYLKDP-ULQDDVLXSA-N 2 1 326.488 3.227 20 0 EGADMP C[C@@H]([NH2+]Cc1cnn(CC(F)F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000292744330 455745550 /nfs/dbraw/zinc/74/55/50/455745550.db2.gz QUKJJWLQQRMPGY-QAPCUYQASA-N 2 1 348.441 3.148 20 0 EGADMP C[C@@H]1C[C@H](NC[C@]2([NH+](C)C)CCSC2)CC[N@H+]1Cc1ccccc1 ZINC000268983912 455753322 /nfs/dbraw/zinc/75/33/22/455753322.db2.gz PRZANEUUQHZIKS-MISYRCLQSA-N 2 1 347.572 3.066 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(N(C)C)CCSC2)CC[N@H+]1Cc1ccccc1 ZINC000268983912 455753331 /nfs/dbraw/zinc/75/33/31/455753331.db2.gz PRZANEUUQHZIKS-MISYRCLQSA-N 2 1 347.572 3.066 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269029170 455767522 /nfs/dbraw/zinc/76/75/22/455767522.db2.gz RLXXZFSBMQWZSQ-UTKZUKDTSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249871930 455779865 /nfs/dbraw/zinc/77/98/65/455779865.db2.gz KFIJRLWCMAAYKH-XWTMOSNGSA-N 2 1 347.503 3.184 20 0 EGADMP C[C@@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249871930 455779867 /nfs/dbraw/zinc/77/98/67/455779867.db2.gz KFIJRLWCMAAYKH-XWTMOSNGSA-N 2 1 347.503 3.184 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CSCCS2)CC[N@H+]1Cc1ccccc1 ZINC000269066128 455780117 /nfs/dbraw/zinc/78/01/17/455780117.db2.gz LLECIFZBPUSVJC-KBAYOESNSA-N 2 1 336.570 3.478 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000269138706 455796891 /nfs/dbraw/zinc/79/68/91/455796891.db2.gz XSWGDNHPBWYUBI-UHFFFAOYSA-N 2 1 344.434 3.071 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000269143380 455798014 /nfs/dbraw/zinc/79/80/14/455798014.db2.gz DBVWNDMXGBRDHF-INIZCTEOSA-N 2 1 331.504 3.118 20 0 EGADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Br ZINC000252870497 455829857 /nfs/dbraw/zinc/82/98/57/455829857.db2.gz SKHOZZQTEFSCSV-KCQAQPDRSA-N 2 1 339.277 3.017 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@@H](CN[C@@H]1CC[NH+]2CCC[C@@H]2C1)C1CC1 ZINC000186877969 455846530 /nfs/dbraw/zinc/84/65/30/455846530.db2.gz PPVCHKPGAGCIEZ-NJYVYQBISA-N 2 1 327.516 3.113 20 0 EGADMP CN(Cc1ccccc1)[C@@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000186877969 455846547 /nfs/dbraw/zinc/84/65/47/455846547.db2.gz PPVCHKPGAGCIEZ-NJYVYQBISA-N 2 1 327.516 3.113 20 0 EGADMP CN(Cc1ccccc1)[C@@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000186877969 455846549 /nfs/dbraw/zinc/84/65/49/455846549.db2.gz PPVCHKPGAGCIEZ-NJYVYQBISA-N 2 1 327.516 3.113 20 0 EGADMP Fc1ccc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc1 ZINC000285448586 455847568 /nfs/dbraw/zinc/84/75/68/455847568.db2.gz GEGMDWJTFGKVAU-FQEVSTJZSA-N 2 1 325.431 3.319 20 0 EGADMP C[C@@H](Cn1ccnc1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285482218 455855225 /nfs/dbraw/zinc/85/52/25/455855225.db2.gz BOXNFKUUBCHVJY-KKXNLOMOSA-N 2 1 326.488 3.304 20 0 EGADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000272177191 455867201 /nfs/dbraw/zinc/86/72/01/455867201.db2.gz JLRNKUMZNULMCT-QFBILLFUSA-N 2 1 340.467 3.401 20 0 EGADMP COCc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000272185853 455869796 /nfs/dbraw/zinc/86/97/96/455869796.db2.gz KZDCAMWYYSDRKA-SJLPKXTDSA-N 2 1 328.456 3.426 20 0 EGADMP COCc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000272185853 455869805 /nfs/dbraw/zinc/86/98/05/455869805.db2.gz KZDCAMWYYSDRKA-SJLPKXTDSA-N 2 1 328.456 3.426 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000285604801 455880076 /nfs/dbraw/zinc/88/00/76/455880076.db2.gz WWGPVAGRNIGUOA-SFHVURJKSA-N 2 1 334.504 3.115 20 0 EGADMP COc1ccc(-c2ccncc2)cc1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000187226463 455883260 /nfs/dbraw/zinc/88/32/60/455883260.db2.gz MHPQIZYABNVQPS-MRXNPFEDSA-N 2 1 325.456 3.189 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000187226463 455883261 /nfs/dbraw/zinc/88/32/61/455883261.db2.gz MHPQIZYABNVQPS-MRXNPFEDSA-N 2 1 325.456 3.189 20 0 EGADMP Cn1nc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000187383088 455902954 /nfs/dbraw/zinc/90/29/54/455902954.db2.gz CTWTUWZVJPNYJL-UHFFFAOYSA-N 2 1 348.494 3.370 20 0 EGADMP CCOC1CC(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000285739083 455906830 /nfs/dbraw/zinc/90/68/30/455906830.db2.gz UYMVDYFQWLGUIY-UHFFFAOYSA-N 2 1 331.504 3.435 20 0 EGADMP Cc1nc2ccccc2nc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261600404 455910041 /nfs/dbraw/zinc/91/00/41/455910041.db2.gz ADPDMPDZPUYQDQ-MSOLQXFVSA-N 2 1 332.451 3.113 20 0 EGADMP CC[C@H](C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000272324518 455913802 /nfs/dbraw/zinc/91/38/02/455913802.db2.gz UYSYAEIVAQFECK-MISYRCLQSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000195055459 455917762 /nfs/dbraw/zinc/91/77/62/455917762.db2.gz FFUYRVXDCBMXFD-LJQANCHMSA-N 2 1 341.503 3.242 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)CC[C@@H]2CC[NH2+]C2)c1 ZINC000270305555 455924023 /nfs/dbraw/zinc/92/40/23/455924023.db2.gz CSHSPGPERAHWBC-GOSISDBHSA-N 2 1 345.531 3.315 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc(N)s1 ZINC000261697598 455930447 /nfs/dbraw/zinc/93/04/47/455930447.db2.gz IBUGBVJCZCBQCH-AWEZNQCLSA-N 2 1 330.501 3.390 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OCc1ccccc1 ZINC000261724394 455935306 /nfs/dbraw/zinc/93/53/06/455935306.db2.gz NRVJCIMTOMIOBZ-NRFANRHFSA-N 2 1 340.467 3.445 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OCc1ccccc1 ZINC000261724394 455935313 /nfs/dbraw/zinc/93/53/13/455935313.db2.gz NRVJCIMTOMIOBZ-NRFANRHFSA-N 2 1 340.467 3.445 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000285934182 455944635 /nfs/dbraw/zinc/94/46/35/455944635.db2.gz LWPCDLBYVTXTBY-AABGKKOBSA-N 2 1 325.456 3.086 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000285934182 455944640 /nfs/dbraw/zinc/94/46/40/455944640.db2.gz LWPCDLBYVTXTBY-AABGKKOBSA-N 2 1 325.456 3.086 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000285934196 455945181 /nfs/dbraw/zinc/94/51/81/455945181.db2.gz LWPCDLBYVTXTBY-VAMGGRTRSA-N 2 1 325.456 3.086 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000285934196 455945183 /nfs/dbraw/zinc/94/51/83/455945183.db2.gz LWPCDLBYVTXTBY-VAMGGRTRSA-N 2 1 325.456 3.086 20 0 EGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)[C@H](C)C2 ZINC000272459040 455957141 /nfs/dbraw/zinc/95/71/41/455957141.db2.gz QOQATECXCBCHGU-XLIONFOSSA-N 2 1 328.500 3.463 20 0 EGADMP Clc1ccc(O[C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000261914730 455970780 /nfs/dbraw/zinc/97/07/80/455970780.db2.gz JTNBOHYETIZIHL-OCCSQVGLSA-N 2 1 329.271 3.446 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187962188 455973392 /nfs/dbraw/zinc/97/33/92/455973392.db2.gz SXMSZNUPSMPGGJ-YADHBBJMSA-N 2 1 343.559 3.360 20 0 EGADMP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000261944956 455975855 /nfs/dbraw/zinc/97/58/55/455975855.db2.gz NGINIVXNVZUTAD-IAQYHMDHSA-N 2 1 338.377 3.265 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000261944956 455975859 /nfs/dbraw/zinc/97/58/59/455975859.db2.gz NGINIVXNVZUTAD-IAQYHMDHSA-N 2 1 338.377 3.265 20 0 EGADMP Cc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c(-c2cnn(C)c2)c1 ZINC000261973517 455980116 /nfs/dbraw/zinc/98/01/16/455980116.db2.gz QNXLASFMGJOPKK-UHFFFAOYSA-N 2 1 338.499 3.360 20 0 EGADMP Fc1cccc(-c2ccc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)s2)c1 ZINC000262086706 455993926 /nfs/dbraw/zinc/99/39/26/455993926.db2.gz GBGAXGMQNFCOLL-QGZVFWFLSA-N 2 1 345.487 3.034 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](CC2(COc3cccc(COC)c3)CCC2)C1 ZINC000262092368 455995891 /nfs/dbraw/zinc/99/58/91/455995891.db2.gz HGYPLMCTBJUOQF-LJQANCHMSA-N 2 1 346.515 3.314 20 0 EGADMP Cc1nccn1CCCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272566250 455996807 /nfs/dbraw/zinc/99/68/07/455996807.db2.gz UUXXGLQKPYNSDL-RXVVDRJESA-N 2 1 340.515 3.472 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272566250 455996808 /nfs/dbraw/zinc/99/68/08/455996808.db2.gz UUXXGLQKPYNSDL-RXVVDRJESA-N 3 1 340.515 3.472 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272566250 455996809 /nfs/dbraw/zinc/99/68/09/455996809.db2.gz UUXXGLQKPYNSDL-RXVVDRJESA-N 3 1 340.515 3.472 20 0 EGADMP Fc1ccc(-c2ccc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)s2)cc1 ZINC000262142007 456003611 /nfs/dbraw/zinc/00/36/11/456003611.db2.gz PXCDGBBFCMZJOV-KRWDZBQOSA-N 2 1 345.487 3.034 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)CCC2)c1 ZINC000262173140 456007903 /nfs/dbraw/zinc/00/79/03/456007903.db2.gz VLNFATSTGCAWQB-FUHWJXTLSA-N 2 1 332.488 3.051 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000262179753 456008483 /nfs/dbraw/zinc/00/84/83/456008483.db2.gz WLOMAUGRQUMSEO-NWDGAFQWSA-N 2 1 345.256 3.026 20 0 EGADMP Cc1ncsc1CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272608428 456013016 /nfs/dbraw/zinc/01/30/16/456013016.db2.gz ZLHKQYDFGXRHLC-YJBOKZPZSA-N 2 1 329.513 3.494 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286379604 456036431 /nfs/dbraw/zinc/03/64/31/456036431.db2.gz ZZAVPKCOSSBWLB-DLBZAZTESA-N 2 1 327.476 3.038 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C[NH3+] ZINC000262449840 456036948 /nfs/dbraw/zinc/03/69/48/456036948.db2.gz HSFPDOUXNXQPSX-NEPJUHHUSA-N 2 1 344.286 3.239 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@H]2CSCC[NH2+]2)cc1 ZINC000262767380 456057812 /nfs/dbraw/zinc/05/78/12/456057812.db2.gz JKBHMIIAQBUBCI-YJBOKZPZSA-N 2 1 347.528 3.095 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000280816952 456058532 /nfs/dbraw/zinc/05/85/32/456058532.db2.gz IOIKMXLEZAIETO-AEFFLSMTSA-N 2 1 332.488 3.218 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000280816952 456058536 /nfs/dbraw/zinc/05/85/36/456058536.db2.gz IOIKMXLEZAIETO-AEFFLSMTSA-N 2 1 332.488 3.218 20 0 EGADMP COCCOCc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000289854551 456156929 /nfs/dbraw/zinc/15/69/29/456156929.db2.gz VNPYYBAKFJADKJ-GOSISDBHSA-N 2 1 334.504 3.204 20 0 EGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000301655026 456175866 /nfs/dbraw/zinc/17/58/66/456175866.db2.gz MEOXMAJKEMIGJM-VQHPVUNQSA-N 2 1 339.524 3.237 20 0 EGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000301655026 456175872 /nfs/dbraw/zinc/17/58/72/456175872.db2.gz MEOXMAJKEMIGJM-VQHPVUNQSA-N 2 1 339.524 3.237 20 0 EGADMP CC(C)C[C@@H]([NH3+])C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000236749680 456179568 /nfs/dbraw/zinc/17/95/68/456179568.db2.gz AWMCAWXRWPWWHB-QGZVFWFLSA-N 2 1 328.460 3.367 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000289949670 456193383 /nfs/dbraw/zinc/19/33/83/456193383.db2.gz MCFIDQVKJPJVHN-UXPWSPDFSA-N 2 1 343.515 3.065 20 0 EGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CC(C)(C)C ZINC000263718944 456201475 /nfs/dbraw/zinc/20/14/75/456201475.db2.gz AXYQOINDKGCWJO-KRWDZBQOSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H](CCCCO)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000273186291 456206178 /nfs/dbraw/zinc/20/61/78/456206178.db2.gz GAGGMJFQFQFBNX-CWJKEVGVSA-N 2 1 330.516 3.428 20 0 EGADMP c1ccc2c(c1)CC1(CCOCC1)[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000290233467 456272233 /nfs/dbraw/zinc/27/22/33/456272233.db2.gz RXRQDFIPSKNGOA-CMKODMSKSA-N 2 1 326.484 3.297 20 0 EGADMP CCc1cc(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)nc(C)n1 ZINC000302061144 456278219 /nfs/dbraw/zinc/27/82/19/456278219.db2.gz SYDOJEZJANUDAY-OAHLLOKOSA-N 2 1 340.471 3.180 20 0 EGADMP CCOC(=O)[C@@H](CC)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342867469 456283652 /nfs/dbraw/zinc/28/36/52/456283652.db2.gz BUYUDSGLGJLLMH-LJQANCHMSA-N 2 1 344.499 3.316 20 0 EGADMP CCOC(=O)[C@@H](CC)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000342867469 456283661 /nfs/dbraw/zinc/28/36/61/456283661.db2.gz BUYUDSGLGJLLMH-LJQANCHMSA-N 2 1 344.499 3.316 20 0 EGADMP CCOC(=O)[C@@H](CC)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342867469 456283667 /nfs/dbraw/zinc/28/36/67/456283667.db2.gz BUYUDSGLGJLLMH-LJQANCHMSA-N 2 1 344.499 3.316 20 0 EGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)CC3 ZINC000275678743 456284258 /nfs/dbraw/zinc/28/42/58/456284258.db2.gz WCABGPNGPCQYIN-CVEARBPZSA-N 2 1 334.467 3.382 20 0 EGADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000290304328 456284831 /nfs/dbraw/zinc/28/48/31/456284831.db2.gz BOPFQRXOTZVCDF-LJQANCHMSA-N 2 1 330.520 3.090 20 0 EGADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCC[NH+](CC2CCC2)CC1 ZINC000347660781 456288483 /nfs/dbraw/zinc/28/84/83/456288483.db2.gz YGNXQUDTBCFKIY-HXUWFJFHSA-N 2 1 347.547 3.118 20 0 EGADMP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000347660781 456288490 /nfs/dbraw/zinc/28/84/90/456288490.db2.gz YGNXQUDTBCFKIY-HXUWFJFHSA-N 2 1 347.547 3.118 20 0 EGADMP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000347660781 456288494 /nfs/dbraw/zinc/28/84/94/456288494.db2.gz YGNXQUDTBCFKIY-HXUWFJFHSA-N 2 1 347.547 3.118 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CCn2cnc3ccccc32)C[C@@H]1c1ccccc1 ZINC000340194246 456305894 /nfs/dbraw/zinc/30/58/94/456305894.db2.gz HWUOCLLVRZUTDZ-GHTZIAJQSA-N 2 1 334.467 3.461 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CCn2cnc3ccccc32)C[C@@H]1c1ccccc1 ZINC000340194246 456305898 /nfs/dbraw/zinc/30/58/98/456305898.db2.gz HWUOCLLVRZUTDZ-GHTZIAJQSA-N 2 1 334.467 3.461 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@]1(C)CCCO1 ZINC000340200488 456309614 /nfs/dbraw/zinc/30/96/14/456309614.db2.gz WAPBQPDTDOFFFM-BMQTXXJKSA-N 2 1 346.515 3.343 20 0 EGADMP Cc1nc2ccccn2c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336794076 456310782 /nfs/dbraw/zinc/31/07/82/456310782.db2.gz ZOBUPBPIJXZNIY-IBGZPJMESA-N 2 1 334.467 3.254 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)c(Br)c1 ZINC000290402196 456317671 /nfs/dbraw/zinc/31/76/71/456317671.db2.gz JMQJJKIYJYTGNV-IAQYHMDHSA-N 2 1 329.257 3.360 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)c(Br)c1 ZINC000290402196 456317673 /nfs/dbraw/zinc/31/76/73/456317673.db2.gz JMQJJKIYJYTGNV-IAQYHMDHSA-N 2 1 329.257 3.360 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(F)c(Br)c1 ZINC000290402196 456317675 /nfs/dbraw/zinc/31/76/75/456317675.db2.gz JMQJJKIYJYTGNV-IAQYHMDHSA-N 2 1 329.257 3.360 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(F)c(Br)c1 ZINC000290402196 456317679 /nfs/dbraw/zinc/31/76/79/456317679.db2.gz JMQJJKIYJYTGNV-IAQYHMDHSA-N 2 1 329.257 3.360 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)CC[C@H]2c2ccccc2)CC1 ZINC000352800807 456320362 /nfs/dbraw/zinc/32/03/62/456320362.db2.gz PZGOZUTWMVMLSV-XLIONFOSSA-N 2 1 343.515 3.060 20 0 EGADMP C[NH+](C)CCc1ccccc1NC(=O)c1sccc1C[NH+](C)C ZINC000275883099 456341984 /nfs/dbraw/zinc/34/19/84/456341984.db2.gz OOYNZRMSGCQDFT-UHFFFAOYSA-N 2 1 331.485 3.166 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CCCOCC2CCOCC2)C[C@@H]1c1ccccc1 ZINC000340251403 456342194 /nfs/dbraw/zinc/34/21/94/456342194.db2.gz PMSCWMVSVVWSDK-LEWJYISDSA-N 2 1 346.515 3.245 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CCCOCC2CCOCC2)C[C@@H]1c1ccccc1 ZINC000340251403 456342202 /nfs/dbraw/zinc/34/22/02/456342202.db2.gz PMSCWMVSVVWSDK-LEWJYISDSA-N 2 1 346.515 3.245 20 0 EGADMP CSc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000352848463 456360194 /nfs/dbraw/zinc/36/01/94/456360194.db2.gz VVNNGFBELCFZAN-CVEARBPZSA-N 2 1 340.558 3.328 20 0 EGADMP CC[NH+]1CCN(C[C@H](C)CNc2cc(C)[nH+]c3ccccc23)CC1 ZINC000302626235 456367224 /nfs/dbraw/zinc/36/72/24/456367224.db2.gz FMRLIPVKHNGYNH-MRXNPFEDSA-N 2 1 326.488 3.229 20 0 EGADMP CSC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCOCC1 ZINC000340303434 456374875 /nfs/dbraw/zinc/37/48/75/456374875.db2.gz PKIFXCJKGMRRJF-MSOLQXFVSA-N 2 1 334.529 3.324 20 0 EGADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCOCC1 ZINC000340303434 456374882 /nfs/dbraw/zinc/37/48/82/456374882.db2.gz PKIFXCJKGMRRJF-MSOLQXFVSA-N 2 1 334.529 3.324 20 0 EGADMP Cc1ncc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)n1-c1ccccc1 ZINC000290595546 456376483 /nfs/dbraw/zinc/37/64/83/456376483.db2.gz VPLABMLKANIRPY-IBGZPJMESA-N 2 1 338.499 3.344 20 0 EGADMP COc1cccc2c(N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)cc(C)[nH+]c12 ZINC000302702438 456378918 /nfs/dbraw/zinc/37/89/18/456378918.db2.gz BKYZVTINCQYKQJ-WBVHZDCISA-N 2 1 325.456 3.472 20 0 EGADMP COc1cccc2c(N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)cc(C)[nH+]c12 ZINC000302702438 456378924 /nfs/dbraw/zinc/37/89/24/456378924.db2.gz BKYZVTINCQYKQJ-WBVHZDCISA-N 2 1 325.456 3.472 20 0 EGADMP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340316740 456383562 /nfs/dbraw/zinc/38/35/62/456383562.db2.gz IKVFMHODLKVFEF-FPOVZHCZSA-N 2 1 340.515 3.395 20 0 EGADMP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340316740 456383567 /nfs/dbraw/zinc/38/35/67/456383567.db2.gz IKVFMHODLKVFEF-FPOVZHCZSA-N 2 1 340.515 3.395 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343103311 456407388 /nfs/dbraw/zinc/40/73/88/456407388.db2.gz OSBUDGBXPBBWTP-LJQANCHMSA-N 2 1 335.923 3.191 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1(C)C ZINC000282320905 456477031 /nfs/dbraw/zinc/47/70/31/456477031.db2.gz LCEXHVDODCNXFG-UHFFFAOYSA-N 2 1 343.471 3.188 20 0 EGADMP CCN(CC)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000340494215 456491767 /nfs/dbraw/zinc/49/17/67/456491767.db2.gz CULKWAHOZCDZFM-MSOLQXFVSA-N 2 1 345.531 3.265 20 0 EGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298603504 456499451 /nfs/dbraw/zinc/49/94/51/456499451.db2.gz ZJJURENPNZCFRZ-KSZLIROESA-N 3 1 330.520 3.006 20 0 EGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298603504 456499457 /nfs/dbraw/zinc/49/94/57/456499457.db2.gz ZJJURENPNZCFRZ-KSZLIROESA-N 3 1 330.520 3.006 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000282397650 456500511 /nfs/dbraw/zinc/50/05/11/456500511.db2.gz PKTDICHRYHSVHP-UHFFFAOYSA-N 2 1 330.303 3.109 20 0 EGADMP CC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282498291 456533214 /nfs/dbraw/zinc/53/32/14/456533214.db2.gz RQEZTSKUMSKZKY-HXUWFJFHSA-N 2 1 329.532 3.361 20 0 EGADMP CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(-n2ccnc2)cc1C ZINC000353179628 456542856 /nfs/dbraw/zinc/54/28/56/456542856.db2.gz JGGZPYRGMWOLEK-SFHVURJKSA-N 2 1 340.471 3.061 20 0 EGADMP CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000348232252 456554214 /nfs/dbraw/zinc/55/42/14/456554214.db2.gz QPSJAWZKQSTHCV-MDASCCDHSA-N 2 1 329.444 3.025 20 0 EGADMP CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308400918 456572047 /nfs/dbraw/zinc/57/20/47/456572047.db2.gz WOBONACKABIEFA-BTHPGYMESA-N 2 1 328.500 3.444 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000348274808 456589728 /nfs/dbraw/zinc/58/97/28/456589728.db2.gz WGTDVAMWYYVRJV-KRWDZBQOSA-N 2 1 330.472 3.301 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000348323122 456621943 /nfs/dbraw/zinc/62/19/43/456621943.db2.gz JJKSHEBZRLMBKZ-AHRSYUTCSA-N 2 1 333.520 3.006 20 0 EGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000343468605 456643264 /nfs/dbraw/zinc/64/32/64/456643264.db2.gz LUGCRXZQHPIJKR-VAMGGRTRSA-N 2 1 345.531 3.243 20 0 EGADMP CCN1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000343482409 456650969 /nfs/dbraw/zinc/65/09/69/456650969.db2.gz UUZKGNMXDTYGBC-WFXMLNOXSA-N 2 1 329.532 3.491 20 0 EGADMP CC[N@H+]1C[C@H](NCc2ccccc2C[NH+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000343482409 456650974 /nfs/dbraw/zinc/65/09/74/456650974.db2.gz UUZKGNMXDTYGBC-WFXMLNOXSA-N 2 1 329.532 3.491 20 0 EGADMP CC[N@@H+]1C[C@H](NCc2ccccc2C[NH+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000343482409 456650977 /nfs/dbraw/zinc/65/09/77/456650977.db2.gz UUZKGNMXDTYGBC-WFXMLNOXSA-N 2 1 329.532 3.491 20 0 EGADMP CC[NH+]1C[C@H](NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000343482409 456650983 /nfs/dbraw/zinc/65/09/83/456650983.db2.gz UUZKGNMXDTYGBC-WFXMLNOXSA-N 2 1 329.532 3.491 20 0 EGADMP CC[NH+]1C[C@H](NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000343482409 456650985 /nfs/dbraw/zinc/65/09/85/456650985.db2.gz UUZKGNMXDTYGBC-WFXMLNOXSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nc(C4CC4)cs3)CC2)C[C@H](C)O1 ZINC000343522996 456680057 /nfs/dbraw/zinc/68/00/57/456680057.db2.gz IHVMTTYTIAGAAY-GASCZTMLSA-N 2 1 349.544 3.342 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc(C4CC4)cs3)CC2)C[C@H](C)O1 ZINC000343522996 456680062 /nfs/dbraw/zinc/68/00/62/456680062.db2.gz IHVMTTYTIAGAAY-GASCZTMLSA-N 2 1 349.544 3.342 20 0 EGADMP COC(=O)c1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cc1F ZINC000326130200 456691320 /nfs/dbraw/zinc/69/13/20/456691320.db2.gz HCXVUVSPXMTZCF-UHFFFAOYSA-N 2 1 336.451 3.357 20 0 EGADMP COC(=O)c1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1F ZINC000326130200 456691328 /nfs/dbraw/zinc/69/13/28/456691328.db2.gz HCXVUVSPXMTZCF-UHFFFAOYSA-N 2 1 336.451 3.357 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OC(F)F ZINC000326490541 456694668 /nfs/dbraw/zinc/69/46/68/456694668.db2.gz QHHNUTLLWIZFJF-GASCZTMLSA-N 2 1 340.414 3.118 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000353472402 456700149 /nfs/dbraw/zinc/70/01/49/456700149.db2.gz UDCVSGPXXKDRRA-MNEFBYGVSA-N 2 1 329.488 3.388 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000283201536 456735864 /nfs/dbraw/zinc/73/58/64/456735864.db2.gz GKZZUAAGWGESGZ-GOSISDBHSA-N 2 1 333.495 3.031 20 0 EGADMP COc1ccc(CC[C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1O ZINC000277242928 456740555 /nfs/dbraw/zinc/74/05/55/456740555.db2.gz OPSGQQAEXHMLTO-OAHLLOKOSA-N 2 1 331.460 3.297 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000283392584 456772091 /nfs/dbraw/zinc/77/20/91/456772091.db2.gz ATPZGSSRFXSMMQ-IBGZPJMESA-N 2 1 331.504 3.131 20 0 EGADMP CN(CCC[N@@H+](C)Cc1c(Cl)ccc2cccnc21)CC[NH+](C)C ZINC000344026386 456789376 /nfs/dbraw/zinc/78/93/76/456789376.db2.gz JLLYIGNILKQHBU-UHFFFAOYSA-N 2 1 348.922 3.204 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)Cn1c(C)nc2ccccc21 ZINC000338423715 456809031 /nfs/dbraw/zinc/80/90/31/456809031.db2.gz NOVSYLPJEBXYNZ-KRWDZBQOSA-N 2 1 342.487 3.116 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000341298221 456837362 /nfs/dbraw/zinc/83/73/62/456837362.db2.gz YWYGAZRHZCLTAN-ZBFHGGJFSA-N 2 1 349.906 3.017 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC[N@H+]1C ZINC000341298221 456837370 /nfs/dbraw/zinc/83/73/70/456837370.db2.gz YWYGAZRHZCLTAN-ZBFHGGJFSA-N 2 1 349.906 3.017 20 0 EGADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c2ccccc21 ZINC000338687374 456852736 /nfs/dbraw/zinc/85/27/36/456852736.db2.gz OJUGGZZCYWHQGW-RBUKOAKNSA-N 2 1 332.488 3.488 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292128377 456863622 /nfs/dbraw/zinc/86/36/22/456863622.db2.gz LHYYFNVCVIWMDS-HNNXBMFYSA-N 2 1 331.504 3.302 20 0 EGADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000341675202 456894896 /nfs/dbraw/zinc/89/48/96/456894896.db2.gz JXHQIKQICAEZEM-HXUWFJFHSA-N 2 1 348.450 3.071 20 0 EGADMP COC1(CC[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC000339012050 456899791 /nfs/dbraw/zinc/89/97/91/456899791.db2.gz HHRUTQWRUJVCDG-HDICACEKSA-N 2 1 338.536 3.157 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccsc3)C2)CC1 ZINC000349194256 456909439 /nfs/dbraw/zinc/90/94/39/456909439.db2.gz RSIWSJKHXSCVFS-OAHLLOKOSA-N 2 1 330.501 3.302 20 0 EGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000339044907 456914269 /nfs/dbraw/zinc/91/42/69/456914269.db2.gz QAQQRUFPEFSWTA-MISYRCLQSA-N 2 1 331.504 3.197 20 0 EGADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000339044907 456914274 /nfs/dbraw/zinc/91/42/74/456914274.db2.gz QAQQRUFPEFSWTA-MISYRCLQSA-N 2 1 331.504 3.197 20 0 EGADMP c1ccc(COc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)nc1 ZINC000339075657 456927705 /nfs/dbraw/zinc/92/77/05/456927705.db2.gz RGXCMFOANGDOTG-QUCCMNQESA-N 2 1 337.467 3.377 20 0 EGADMP CC(C)CCn1cccc1CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000349303896 456937446 /nfs/dbraw/zinc/93/74/46/456937446.db2.gz ZJYWMLHPJOPHHJ-IBGZPJMESA-N 2 1 346.563 3.135 20 0 EGADMP CC(C)CCn1cccc1CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349303896 456937449 /nfs/dbraw/zinc/93/74/49/456937449.db2.gz ZJYWMLHPJOPHHJ-IBGZPJMESA-N 2 1 346.563 3.135 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000353934815 456971419 /nfs/dbraw/zinc/97/14/19/456971419.db2.gz YIEQNPVYPMFFCQ-CYGHRXIMSA-N 2 1 332.488 3.412 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000341875025 456982003 /nfs/dbraw/zinc/98/20/03/456982003.db2.gz IQVXRXKOTGIGNT-HNNXBMFYSA-N 2 1 349.438 3.190 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C)c1ccccc1 ZINC000341974289 457036472 /nfs/dbraw/zinc/03/64/72/457036472.db2.gz PSBWYWFWJGMXBT-AABGKKOBSA-N 2 1 343.515 3.153 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C)c1ccccc1 ZINC000341974289 457036476 /nfs/dbraw/zinc/03/64/76/457036476.db2.gz PSBWYWFWJGMXBT-AABGKKOBSA-N 2 1 343.515 3.153 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)c1ccccc1 ZINC000341974289 457036480 /nfs/dbraw/zinc/03/64/80/457036480.db2.gz PSBWYWFWJGMXBT-AABGKKOBSA-N 2 1 343.515 3.153 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)c1ccccc1 ZINC000341974289 457036485 /nfs/dbraw/zinc/03/64/85/457036485.db2.gz PSBWYWFWJGMXBT-AABGKKOBSA-N 2 1 343.515 3.153 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000354100643 457062342 /nfs/dbraw/zinc/06/23/42/457062342.db2.gz OMPGCUNGLFDGHM-IBGZPJMESA-N 2 1 341.499 3.476 20 0 EGADMP c1ccc(C[NH+]2CCOCC2)c(CNc2cc[nH+]c3ccccc23)c1 ZINC000346610183 457076628 /nfs/dbraw/zinc/07/66/28/457076628.db2.gz MQLUJIKSZVACEU-UHFFFAOYSA-N 2 1 333.435 3.101 20 0 EGADMP CC(C)OCC[C@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000349881062 457092433 /nfs/dbraw/zinc/09/24/33/457092433.db2.gz LHVWOZNCEPWKEF-ICSRJNTNSA-N 2 1 340.552 3.139 20 0 EGADMP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000356650865 457102752 /nfs/dbraw/zinc/10/27/52/457102752.db2.gz RNPDOTZZJWPYTI-YOEHRIQHSA-N 2 1 339.911 3.179 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000356650865 457102757 /nfs/dbraw/zinc/10/27/57/457102757.db2.gz RNPDOTZZJWPYTI-YOEHRIQHSA-N 2 1 339.911 3.179 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3cccc4ccccc43)C[C@H]21 ZINC000342105123 457110910 /nfs/dbraw/zinc/11/09/10/457110910.db2.gz NVELNBXHOIJXPR-BHIYHBOVSA-N 2 1 337.467 3.228 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)cc2)n1 ZINC000339439298 457119496 /nfs/dbraw/zinc/11/94/96/457119496.db2.gz HLNMJLHSXQWADP-OAQYLSRUSA-N 2 1 338.499 3.407 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cc2)n1 ZINC000339439298 457119499 /nfs/dbraw/zinc/11/94/99/457119499.db2.gz HLNMJLHSXQWADP-OAQYLSRUSA-N 2 1 338.499 3.407 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cc2)n1 ZINC000339439298 457119504 /nfs/dbraw/zinc/11/95/04/457119504.db2.gz HLNMJLHSXQWADP-OAQYLSRUSA-N 2 1 338.499 3.407 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C/C=C/c1ccc(F)cc1F ZINC000349974672 457128937 /nfs/dbraw/zinc/12/89/37/457128937.db2.gz MWLRFIQXYMHXQW-LLHCEFMISA-N 2 1 336.426 3.162 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C/C=C/c1ccc(F)cc1F ZINC000349974672 457128941 /nfs/dbraw/zinc/12/89/41/457128941.db2.gz MWLRFIQXYMHXQW-LLHCEFMISA-N 2 1 336.426 3.162 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000350037264 457150769 /nfs/dbraw/zinc/15/07/69/457150769.db2.gz MTEHKJRXWUBZSY-UHFFFAOYSA-N 2 1 332.341 3.118 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)c1 ZINC000362931103 457161845 /nfs/dbraw/zinc/16/18/45/457161845.db2.gz PJZMJTGXRIBOGO-YLJYHZDGSA-N 2 1 345.531 3.123 20 0 EGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000362931103 457161852 /nfs/dbraw/zinc/16/18/52/457161852.db2.gz PJZMJTGXRIBOGO-YLJYHZDGSA-N 2 1 345.531 3.123 20 0 EGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000362931103 457161858 /nfs/dbraw/zinc/16/18/58/457161858.db2.gz PJZMJTGXRIBOGO-YLJYHZDGSA-N 2 1 345.531 3.123 20 0 EGADMP C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347043438 457200134 /nfs/dbraw/zinc/20/01/34/457200134.db2.gz MURMOUKSXWYSPC-YOFSQIOKSA-N 2 1 337.467 3.375 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000347051843 457205185 /nfs/dbraw/zinc/20/51/85/457205185.db2.gz RLWNQJVZPLFNPO-LPHOPBHVSA-N 2 1 325.456 3.220 20 0 EGADMP CC[N@@H+](CCC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1)CC1CC1 ZINC000356900378 457207537 /nfs/dbraw/zinc/20/75/37/457207537.db2.gz YTOYSKMDPRILTK-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347067331 457213518 /nfs/dbraw/zinc/21/35/18/457213518.db2.gz MKZLIQHOPVEOMF-JJTKIYQPSA-N 2 1 342.462 3.343 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347067331 457213519 /nfs/dbraw/zinc/21/35/19/457213519.db2.gz MKZLIQHOPVEOMF-JJTKIYQPSA-N 2 1 342.462 3.343 20 0 EGADMP CC1CCN(C(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000357011173 457274360 /nfs/dbraw/zinc/27/43/60/457274360.db2.gz JJOBNKUVSYXQEO-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000342422030 457294377 /nfs/dbraw/zinc/29/43/77/457294377.db2.gz YQKKWCOUNNMENV-PKOBYXMFSA-N 2 1 345.531 3.134 20 0 EGADMP c1nc2ccccc2n1-c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357109215 457327390 /nfs/dbraw/zinc/32/73/90/457327390.db2.gz WTHSTDNGQLTWLF-ZWKOTPCHSA-N 2 1 332.451 3.067 20 0 EGADMP CCc1nnc([C@H](C)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000352447853 457373370 /nfs/dbraw/zinc/37/33/70/457373370.db2.gz OVGBAZQYBMXDFV-SZMVWBNQSA-N 2 1 340.471 3.147 20 0 EGADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352477700 457398855 /nfs/dbraw/zinc/39/88/55/457398855.db2.gz OBUMVVGNAOZFIP-MRXNPFEDSA-N 2 1 349.494 3.186 20 0 EGADMP COc1cc2c(cc1C[NH2+]C[C@H](C)C[NH+]1CCCCC1)O[C@H](C)C2 ZINC000378955312 457416600 /nfs/dbraw/zinc/41/66/00/457416600.db2.gz SMFXLMSWLZUUPH-JKSUJKDBSA-N 2 1 332.488 3.230 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)cc1)C(C)C ZINC000425060499 457425355 /nfs/dbraw/zinc/42/53/55/457425355.db2.gz VZKPSJTWGGHETJ-VQTJNVASSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1)C(C)C ZINC000425060499 457425357 /nfs/dbraw/zinc/42/53/57/457425357.db2.gz VZKPSJTWGGHETJ-VQTJNVASSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1)C(C)C ZINC000425060499 457425361 /nfs/dbraw/zinc/42/53/61/457425361.db2.gz VZKPSJTWGGHETJ-VQTJNVASSA-N 2 1 343.515 3.083 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000385474102 457429792 /nfs/dbraw/zinc/42/97/92/457429792.db2.gz AUVHWJHGZXMHEX-CLAROIROSA-N 3 1 341.543 3.409 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000385474102 457429800 /nfs/dbraw/zinc/42/98/00/457429800.db2.gz AUVHWJHGZXMHEX-CLAROIROSA-N 2 1 341.543 3.409 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000385474102 457429806 /nfs/dbraw/zinc/42/98/06/457429806.db2.gz AUVHWJHGZXMHEX-CLAROIROSA-N 2 1 341.543 3.409 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1O ZINC000391025894 457448777 /nfs/dbraw/zinc/44/87/77/457448777.db2.gz SCEOUAWFISZJFE-AQNXPRMDSA-N 2 1 330.516 3.428 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1O ZINC000391025894 457448784 /nfs/dbraw/zinc/44/87/84/457448784.db2.gz SCEOUAWFISZJFE-AQNXPRMDSA-N 2 1 330.516 3.428 20 0 EGADMP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(F)cn1 ZINC000352555088 457462582 /nfs/dbraw/zinc/46/25/82/457462582.db2.gz JAOMCNBSCJCYTG-QGZVFWFLSA-N 2 1 331.435 3.402 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)NCc1ccccc1 ZINC000360959634 457466809 /nfs/dbraw/zinc/46/68/09/457466809.db2.gz XOFMFKSJQTVLGB-HOJAQTOUSA-N 2 1 345.531 3.182 20 0 EGADMP COCC[N@H+](C)CC[C@H](Nc1[nH]c2ccccc2[nH+]1)c1ccccc1 ZINC000342727438 457482455 /nfs/dbraw/zinc/48/24/55/457482455.db2.gz LILITNRKOOOWNC-KRWDZBQOSA-N 2 1 338.455 3.106 20 0 EGADMP COCC[N@@H+](C)CC[C@H](Nc1[nH]c2ccccc2[nH+]1)c1ccccc1 ZINC000342727438 457482461 /nfs/dbraw/zinc/48/24/61/457482461.db2.gz LILITNRKOOOWNC-KRWDZBQOSA-N 2 1 338.455 3.106 20 0 EGADMP CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1(C)C ZINC000360993438 457496540 /nfs/dbraw/zinc/49/65/40/457496540.db2.gz BBFNYMWDRUTCAS-PMACEKPBSA-N 2 1 346.515 3.201 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000401761034 457530480 /nfs/dbraw/zinc/53/04/80/457530480.db2.gz ICKURUVEWDBXLD-NSHDSACASA-N 2 1 326.263 3.064 20 0 EGADMP CCC1(CC)[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H](C)[C@@H]1OC ZINC000352737488 457571288 /nfs/dbraw/zinc/57/12/88/457571288.db2.gz PDIGBFMGRWWDDM-MAZHCROVSA-N 2 1 325.522 3.134 20 0 EGADMP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361182492 457634356 /nfs/dbraw/zinc/63/43/56/457634356.db2.gz BIXOWFOULWPQIQ-KXBFYZLASA-N 2 1 332.463 3.294 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000374516775 457647121 /nfs/dbraw/zinc/64/71/21/457647121.db2.gz AAEVFOKRXSAZMF-IBGZPJMESA-N 2 1 326.488 3.164 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000374516775 457647122 /nfs/dbraw/zinc/64/71/22/457647122.db2.gz AAEVFOKRXSAZMF-IBGZPJMESA-N 2 1 326.488 3.164 20 0 EGADMP Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000364659923 457667687 /nfs/dbraw/zinc/66/76/87/457667687.db2.gz GMKJHTBFWWFBRN-OALUTQOASA-N 2 1 346.519 3.027 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCCOC[C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000361338483 457699160 /nfs/dbraw/zinc/69/91/60/457699160.db2.gz FORIWIKPLCICKR-HLAWJBBLSA-N 2 1 346.515 3.072 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCCOC[C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000361338483 457699162 /nfs/dbraw/zinc/69/91/62/457699162.db2.gz FORIWIKPLCICKR-HLAWJBBLSA-N 2 1 346.515 3.072 20 0 EGADMP CN(Cc1sccc1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374807234 457710877 /nfs/dbraw/zinc/71/08/77/457710877.db2.gz AWTPBFJZDDHJRM-AWEZNQCLSA-N 2 1 327.925 3.002 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC000361455544 457737305 /nfs/dbraw/zinc/73/73/05/457737305.db2.gz DIKUFVHVXVPCFB-YZGWKJHDSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC000361455544 457737308 /nfs/dbraw/zinc/73/73/08/457737308.db2.gz DIKUFVHVXVPCFB-YZGWKJHDSA-N 2 1 328.500 3.446 20 0 EGADMP CC(C)[C@H](C[NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000433113413 457760514 /nfs/dbraw/zinc/76/05/14/457760514.db2.gz DQBCDDIABZHLHT-FQEVSTJZSA-N 2 1 345.531 3.298 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000361530486 457773586 /nfs/dbraw/zinc/77/35/86/457773586.db2.gz JUPOFSHRYNMXFH-CQSZACIVSA-N 2 1 328.243 3.212 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(C)(C)n1cncn1 ZINC000375081311 457784181 /nfs/dbraw/zinc/78/41/81/457784181.db2.gz PYHZZPSSCMAGGP-DLBZAZTESA-N 2 1 341.503 3.217 20 0 EGADMP CCCc1csc(C[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)n1 ZINC000426415805 457826615 /nfs/dbraw/zinc/82/66/15/457826615.db2.gz FGDGGPZHEUEMFA-MRXNPFEDSA-N 2 1 325.522 3.028 20 0 EGADMP CCCc1csc(C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)n1 ZINC000426415805 457826623 /nfs/dbraw/zinc/82/66/23/457826623.db2.gz FGDGGPZHEUEMFA-MRXNPFEDSA-N 2 1 325.522 3.028 20 0 EGADMP CC1(C)CCC[N@@H+](CCNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000444008524 457841241 /nfs/dbraw/zinc/84/12/41/457841241.db2.gz GYFGIOIMWGAGGP-UHFFFAOYSA-N 2 1 329.532 3.363 20 0 EGADMP O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411304160 457854281 /nfs/dbraw/zinc/85/42/81/457854281.db2.gz BNAPXEMSDITMQV-KRWDZBQOSA-N 2 1 342.405 3.172 20 0 EGADMP O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411304160 457854289 /nfs/dbraw/zinc/85/42/89/457854289.db2.gz BNAPXEMSDITMQV-KRWDZBQOSA-N 2 1 342.405 3.172 20 0 EGADMP COc1cccc2c1CC[N@@H+](Cc1cn(-c3cc[nH+]cc3)nc1C)CC2 ZINC000426579308 457857684 /nfs/dbraw/zinc/85/76/84/457857684.db2.gz LLUDFESUQHBAJK-UHFFFAOYSA-N 2 1 348.450 3.185 20 0 EGADMP CCOc1cc2c(cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)O[C@@H](C)C2 ZINC000358232631 457874436 /nfs/dbraw/zinc/87/44/36/457874436.db2.gz MKDCSPVKDJHPNC-YRBFXIGRSA-N 2 1 332.488 3.227 20 0 EGADMP CCOc1cc2c(cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)O[C@@H](C)C2 ZINC000358232631 457874444 /nfs/dbraw/zinc/87/44/44/457874444.db2.gz MKDCSPVKDJHPNC-YRBFXIGRSA-N 2 1 332.488 3.227 20 0 EGADMP COCCO[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411406158 457876817 /nfs/dbraw/zinc/87/68/17/457876817.db2.gz DYWVWAYLASFUPO-OAQYLSRUSA-N 2 1 346.515 3.300 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)[C@@H](O)C(F)(F)F ZINC000366690952 457886476 /nfs/dbraw/zinc/88/64/76/457886476.db2.gz BGNTUWGNIWRRHJ-SLBVQIDZSA-N 2 1 336.442 3.321 20 0 EGADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H](O)C(F)(F)F ZINC000411443006 457889928 /nfs/dbraw/zinc/88/99/28/457889928.db2.gz XERRHXVQDBAHNE-INIZCTEOSA-N 2 1 330.394 3.028 20 0 EGADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H](O)C(F)(F)F ZINC000411443006 457889933 /nfs/dbraw/zinc/88/99/33/457889933.db2.gz XERRHXVQDBAHNE-INIZCTEOSA-N 2 1 330.394 3.028 20 0 EGADMP CCC[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358254257 457890889 /nfs/dbraw/zinc/89/08/89/457890889.db2.gz PIHZDCIRFCPJJT-HOTGVXAUSA-N 2 1 331.287 3.491 20 0 EGADMP CCC[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358254257 457890891 /nfs/dbraw/zinc/89/08/91/457890891.db2.gz PIHZDCIRFCPJJT-HOTGVXAUSA-N 2 1 331.287 3.491 20 0 EGADMP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358254257 457890893 /nfs/dbraw/zinc/89/08/93/457890893.db2.gz PIHZDCIRFCPJJT-HOTGVXAUSA-N 2 1 331.287 3.491 20 0 EGADMP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000358254257 457890896 /nfs/dbraw/zinc/89/08/96/457890896.db2.gz PIHZDCIRFCPJJT-HOTGVXAUSA-N 2 1 331.287 3.491 20 0 EGADMP C[C@@H](c1nnnn1C1CCCCC1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366867987 457904328 /nfs/dbraw/zinc/90/43/28/457904328.db2.gz XEWSGQGNADPIAJ-INIZCTEOSA-N 2 1 346.523 3.047 20 0 EGADMP C[C@@H](c1nnnn1C1CCCCC1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366867987 457904335 /nfs/dbraw/zinc/90/43/35/457904335.db2.gz XEWSGQGNADPIAJ-INIZCTEOSA-N 2 1 346.523 3.047 20 0 EGADMP CCOC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH+](CC)CC)nc1 ZINC000411555736 457918944 /nfs/dbraw/zinc/91/89/44/457918944.db2.gz WREYOWAQRXPVPN-HKUYNNGSSA-N 2 1 347.503 3.249 20 0 EGADMP CCc1nc2c(s1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)CCC2 ZINC000358299015 457919054 /nfs/dbraw/zinc/91/90/54/457919054.db2.gz IYAYXCIWWCKDHG-DJIMGWMZSA-N 2 1 349.544 3.050 20 0 EGADMP C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411566253 457919453 /nfs/dbraw/zinc/91/94/53/457919453.db2.gz WTPUVTYISCVYHB-QGZVFWFLSA-N 2 1 345.531 3.408 20 0 EGADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411566253 457919458 /nfs/dbraw/zinc/91/94/58/457919458.db2.gz WTPUVTYISCVYHB-QGZVFWFLSA-N 2 1 345.531 3.408 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H](O)C(F)(F)F ZINC000411576607 457921006 /nfs/dbraw/zinc/92/10/06/457921006.db2.gz XTGTWOMXAMJESL-QGZVFWFLSA-N 2 1 344.421 3.418 20 0 EGADMP O[C@@]1(C[NH2+][C@H]2CCCc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000361877803 457924050 /nfs/dbraw/zinc/92/40/50/457924050.db2.gz SQTOCIOEDLBDPO-FCHUYYIVSA-N 2 1 336.479 3.291 20 0 EGADMP O[C@@]1(C[NH2+][C@H]2CCCc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000361877803 457924056 /nfs/dbraw/zinc/92/40/56/457924056.db2.gz SQTOCIOEDLBDPO-FCHUYYIVSA-N 2 1 336.479 3.291 20 0 EGADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000361888508 457931750 /nfs/dbraw/zinc/93/17/50/457931750.db2.gz JXTQPMQUOUQSIR-PKOBYXMFSA-N 2 1 330.497 3.426 20 0 EGADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000361888508 457931752 /nfs/dbraw/zinc/93/17/52/457931752.db2.gz JXTQPMQUOUQSIR-PKOBYXMFSA-N 2 1 330.497 3.426 20 0 EGADMP CC[C@@H]1C[NH+](CC[C@@H](C)CC[N@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000411674911 457947191 /nfs/dbraw/zinc/94/71/91/457947191.db2.gz NDWXPZKDTCPPPO-OWZKRDHZSA-N 2 1 340.552 3.405 20 0 EGADMP CC[C@@H]1C[N@H+](CC[C@@H](C)CC[NH+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000411674911 457947196 /nfs/dbraw/zinc/94/71/96/457947196.db2.gz NDWXPZKDTCPPPO-OWZKRDHZSA-N 2 1 340.552 3.405 20 0 EGADMP CC[C@@H]1C[N@@H+](CC[C@@H](C)CC[NH+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000411674911 457947203 /nfs/dbraw/zinc/94/72/03/457947203.db2.gz NDWXPZKDTCPPPO-OWZKRDHZSA-N 2 1 340.552 3.405 20 0 EGADMP Cc1cnc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1 ZINC000358349113 457949969 /nfs/dbraw/zinc/94/99/69/457949969.db2.gz DHUNZDMVXZRRKN-IHWFROFDSA-N 2 1 336.483 3.113 20 0 EGADMP Cc1c([C@@H](C)NCCCNc2ccccn2)nnn1-c1ccccc1 ZINC000361926533 457959291 /nfs/dbraw/zinc/95/92/91/457959291.db2.gz KMRWMOQRPUJANI-OAHLLOKOSA-N 2 1 336.443 3.124 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000411722516 457962115 /nfs/dbraw/zinc/96/21/15/457962115.db2.gz QQNSRWNXBOFHEM-OAQYLSRUSA-N 2 1 344.499 3.054 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000411722516 457962124 /nfs/dbraw/zinc/96/21/24/457962124.db2.gz QQNSRWNXBOFHEM-OAQYLSRUSA-N 2 1 344.499 3.054 20 0 EGADMP Cc1cccc(NCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000358409168 457985717 /nfs/dbraw/zinc/98/57/17/457985717.db2.gz WFCZRICRZHGORO-UYAOXDASSA-N 2 1 338.499 3.445 20 0 EGADMP Cc1cccc(NCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000358409168 457985724 /nfs/dbraw/zinc/98/57/24/457985724.db2.gz WFCZRICRZHGORO-UYAOXDASSA-N 2 1 338.499 3.445 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(CC(C)C)C2CC2)CC1 ZINC000358432849 458000950 /nfs/dbraw/zinc/00/09/50/458000950.db2.gz VSBNIJZCFFMVLA-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CCSc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000368366661 458031613 /nfs/dbraw/zinc/03/16/13/458031613.db2.gz GUVCFKITZRFRRE-YLJYHZDGSA-N 2 1 347.572 3.256 20 0 EGADMP OC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000358577740 458088605 /nfs/dbraw/zinc/08/86/05/458088605.db2.gz UYAAOZGSXINMKW-BEQLGVGBSA-N 2 1 328.500 3.180 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OCc1ccccc1 ZINC000435369628 458120364 /nfs/dbraw/zinc/12/03/64/458120364.db2.gz FXPSZSDHTCBTQA-APWZRJJASA-N 2 1 340.467 3.443 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OCc1ccccc1 ZINC000435369628 458120371 /nfs/dbraw/zinc/12/03/71/458120371.db2.gz FXPSZSDHTCBTQA-APWZRJJASA-N 2 1 340.467 3.443 20 0 EGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000435373761 458124263 /nfs/dbraw/zinc/12/42/63/458124263.db2.gz VKYROFCKIFSVIR-JSGCOSHPSA-N 2 1 338.377 3.060 20 0 EGADMP C[N@H+](Cc1ccccc1OCc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435381154 458128396 /nfs/dbraw/zinc/12/83/96/458128396.db2.gz RUKNKVOOQFIUQZ-YOFSQIOKSA-N 2 1 337.467 3.375 20 0 EGADMP C[N@@H+](Cc1ccccc1OCc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435381154 458128399 /nfs/dbraw/zinc/12/83/99/458128399.db2.gz RUKNKVOOQFIUQZ-YOFSQIOKSA-N 2 1 337.467 3.375 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1OCc1cccs1 ZINC000435380970 458128467 /nfs/dbraw/zinc/12/84/67/458128467.db2.gz QWMWPWLWZRDXCI-OAHLLOKOSA-N 2 1 332.469 3.116 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1OCc1cccs1 ZINC000435380970 458128474 /nfs/dbraw/zinc/12/84/74/458128474.db2.gz QWMWPWLWZRDXCI-OAHLLOKOSA-N 2 1 332.469 3.116 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000435382164 458130068 /nfs/dbraw/zinc/13/00/68/458130068.db2.gz ZUCFDDOFRDXUTP-YSIASYRMSA-N 2 1 337.467 3.316 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435395993 458135768 /nfs/dbraw/zinc/13/57/68/458135768.db2.gz UAVCLVDEOOKVHN-QGZVFWFLSA-N 2 1 325.456 3.058 20 0 EGADMP CCCn1cc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000435420339 458140299 /nfs/dbraw/zinc/14/02/99/458140299.db2.gz CTHBQCQIYUUVFE-SFHVURJKSA-N 2 1 344.528 3.499 20 0 EGADMP CCCn1cc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000435420339 458140304 /nfs/dbraw/zinc/14/03/04/458140304.db2.gz CTHBQCQIYUUVFE-SFHVURJKSA-N 2 1 344.528 3.499 20 0 EGADMP CC[N@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435614898 458172634 /nfs/dbraw/zinc/17/26/34/458172634.db2.gz NOVMXDZMQBPVJP-LJQANCHMSA-N 2 1 345.531 3.278 20 0 EGADMP CC[N@@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435614898 458172642 /nfs/dbraw/zinc/17/26/42/458172642.db2.gz NOVMXDZMQBPVJP-LJQANCHMSA-N 2 1 345.531 3.278 20 0 EGADMP CC[N@H+](CC(=O)N[C@H](c1ccc(F)cc1)C(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435623407 458173810 /nfs/dbraw/zinc/17/38/10/458173810.db2.gz CMPPGVBNSBMCAG-ICSRJNTNSA-N 2 1 349.494 3.103 20 0 EGADMP CC[N@@H+](CC(=O)N[C@H](c1ccc(F)cc1)C(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435623407 458173815 /nfs/dbraw/zinc/17/38/15/458173815.db2.gz CMPPGVBNSBMCAG-ICSRJNTNSA-N 2 1 349.494 3.103 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000446570065 458197576 /nfs/dbraw/zinc/19/75/76/458197576.db2.gz WBUXIQGOJULBIZ-SJLPKXTDSA-N 2 1 346.519 3.127 20 0 EGADMP Cc1ccc(CC2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)cc1C ZINC000428734537 458201823 /nfs/dbraw/zinc/20/18/23/458201823.db2.gz ASSSCZZZRLRGKK-OAQYLSRUSA-N 2 1 330.516 3.013 20 0 EGADMP Cc1ccc(CC2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)cc1C ZINC000428734537 458201827 /nfs/dbraw/zinc/20/18/27/458201827.db2.gz ASSSCZZZRLRGKK-OAQYLSRUSA-N 2 1 330.516 3.013 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000369441360 458214509 /nfs/dbraw/zinc/21/45/09/458214509.db2.gz JDPQXJZGKQHDSM-JOCHJYFZSA-N 2 1 337.511 3.440 20 0 EGADMP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428860644 458224415 /nfs/dbraw/zinc/22/44/15/458224415.db2.gz HDPBMVVZNLVABC-KBPBESRZSA-N 2 1 348.434 3.234 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCSCc1ccccc1 ZINC000376490013 458316870 /nfs/dbraw/zinc/31/68/70/458316870.db2.gz FWPFTAKVEALRBI-HSALFYBXSA-N 2 1 348.556 3.493 20 0 EGADMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(-c2cccs2)n1 ZINC000369703920 458320872 /nfs/dbraw/zinc/32/08/72/458320872.db2.gz OAFGFTXXOWBHIQ-UHFFFAOYSA-N 2 1 344.528 3.456 20 0 EGADMP CC[NH+](CC)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)CC(C)C ZINC000459376094 458349470 /nfs/dbraw/zinc/34/94/70/458349470.db2.gz ZTXAEIXEWIGLRL-FQEVSTJZSA-N 3 1 332.536 3.397 20 0 EGADMP COc1cccc(C[NH2+]Cc2cnc3n2CCCC3)c1OC(F)F ZINC000376727795 458376908 /nfs/dbraw/zinc/37/69/08/458376908.db2.gz GMYPSIARSLOVCJ-UHFFFAOYSA-N 2 1 337.370 3.119 20 0 EGADMP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459462320 458378671 /nfs/dbraw/zinc/37/86/71/458378671.db2.gz KVMQKWDDHXEEDI-QZTJIDSGSA-N 3 1 342.531 3.293 20 0 EGADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423497939 458443596 /nfs/dbraw/zinc/44/35/96/458443596.db2.gz ANVDHQZRQNDDBC-PCCBWWKXSA-N 2 1 342.458 3.119 20 0 EGADMP [NH3+]C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CCCC1 ZINC000423510073 458448022 /nfs/dbraw/zinc/44/80/22/458448022.db2.gz RZFKBUCOAFAUPO-BQJUDKOJSA-N 2 1 327.516 3.004 20 0 EGADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000423517108 458449320 /nfs/dbraw/zinc/44/93/20/458449320.db2.gz ULOIRBDTNZTWDT-IFLJBQAJSA-N 3 1 327.516 3.147 20 0 EGADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000423517108 458449322 /nfs/dbraw/zinc/44/93/22/458449322.db2.gz ULOIRBDTNZTWDT-IFLJBQAJSA-N 2 1 327.516 3.147 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459722440 458456768 /nfs/dbraw/zinc/45/67/68/458456768.db2.gz BJXKWFKFAPKSDU-KRWDZBQOSA-N 2 1 344.478 3.450 20 0 EGADMP CC(C)[C@](C)(CN)[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000430585833 458466493 /nfs/dbraw/zinc/46/64/93/458466493.db2.gz XNIUNSGKSRGUHM-SFTDATJTSA-N 2 1 345.531 3.387 20 0 EGADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+](CC)CC ZINC000430663168 458476458 /nfs/dbraw/zinc/47/64/58/458476458.db2.gz FMYKVZDEXWCVGV-YZGWKJHDSA-N 2 1 345.531 3.276 20 0 EGADMP CO[C@@H]1CC[NH+]([C@H](C)CC[N@@H+]2CC[C@@H](OC)C(C)(C)C2)CC1(C)C ZINC000451564636 458480813 /nfs/dbraw/zinc/48/08/13/458480813.db2.gz MBVMQQBZJBZLIV-KZNAEPCWSA-N 2 1 340.552 3.259 20 0 EGADMP CO[C@@H]1CC[NH+](CC[C@@H](C)[N@@H+]2CC[C@@H](OC)C(C)(C)C2)CC1(C)C ZINC000451564636 458480818 /nfs/dbraw/zinc/48/08/18/458480818.db2.gz MBVMQQBZJBZLIV-KZNAEPCWSA-N 2 1 340.552 3.259 20 0 EGADMP CO[C@@H]1CC[NH+](CC[C@@H](C)[N@H+]2CC[C@@H](OC)C(C)(C)C2)CC1(C)C ZINC000451564636 458480823 /nfs/dbraw/zinc/48/08/23/458480823.db2.gz MBVMQQBZJBZLIV-KZNAEPCWSA-N 2 1 340.552 3.259 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)C1CCCCC1 ZINC000373434081 458492485 /nfs/dbraw/zinc/49/24/85/458492485.db2.gz BOHVJQXMXODUCO-WIYYLYMNSA-N 2 1 341.499 3.389 20 0 EGADMP Cc1noc(C)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377335112 458496647 /nfs/dbraw/zinc/49/66/47/458496647.db2.gz FRZUEHOYCBZLAH-RTBURBONSA-N 2 1 325.456 3.245 20 0 EGADMP Cc1noc(C)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377335112 458496652 /nfs/dbraw/zinc/49/66/52/458496652.db2.gz FRZUEHOYCBZLAH-RTBURBONSA-N 2 1 325.456 3.245 20 0 EGADMP Cc1noc(C)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377335112 458496656 /nfs/dbraw/zinc/49/66/56/458496656.db2.gz FRZUEHOYCBZLAH-RTBURBONSA-N 2 1 325.456 3.245 20 0 EGADMP Cc1noc(C)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377335112 458496659 /nfs/dbraw/zinc/49/66/59/458496659.db2.gz FRZUEHOYCBZLAH-RTBURBONSA-N 2 1 325.456 3.245 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)c1cccc2ccccc21 ZINC000430929825 458506146 /nfs/dbraw/zinc/50/61/46/458506146.db2.gz RAKLJONDQRRKJU-ZKNHNOBHSA-N 2 1 339.483 3.075 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)c1cccc2ccccc21 ZINC000430929825 458506152 /nfs/dbraw/zinc/50/61/52/458506152.db2.gz RAKLJONDQRRKJU-ZKNHNOBHSA-N 2 1 339.483 3.075 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC2(C1)CCCCC2)c1ccccc1 ZINC000460381128 458515085 /nfs/dbraw/zinc/51/50/85/458515085.db2.gz QFRBJJGSXVNCNV-IBGZPJMESA-N 2 1 343.515 3.062 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000460391383 458515608 /nfs/dbraw/zinc/51/56/08/458515608.db2.gz YEMDHBZJQWXKAY-LJQANCHMSA-N 2 1 326.525 3.364 20 0 EGADMP CCC[N@H+](CC(=O)N[C@H](c1ccc(F)cc1)C(C)C)C1CC[NH2+]CC1 ZINC000431071086 458525060 /nfs/dbraw/zinc/52/50/60/458525060.db2.gz SVBOIYKTSSLNNI-FQEVSTJZSA-N 2 1 349.494 3.103 20 0 EGADMP CCC[N@@H+](CC(=O)N[C@H](c1ccc(F)cc1)C(C)C)C1CC[NH2+]CC1 ZINC000431071086 458525067 /nfs/dbraw/zinc/52/50/67/458525067.db2.gz SVBOIYKTSSLNNI-FQEVSTJZSA-N 2 1 349.494 3.103 20 0 EGADMP Cc1ccccc1C[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468551149 458527323 /nfs/dbraw/zinc/52/73/23/458527323.db2.gz BZYXQEBSLIIGBI-UGKGYDQZSA-N 2 1 338.495 3.153 20 0 EGADMP Cc1ccccc1C[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468551149 458527328 /nfs/dbraw/zinc/52/73/28/458527328.db2.gz BZYXQEBSLIIGBI-UGKGYDQZSA-N 2 1 338.495 3.153 20 0 EGADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431087183 458528033 /nfs/dbraw/zinc/52/80/33/458528033.db2.gz PLQHITQFUWOXBE-MRXNPFEDSA-N 2 1 330.476 3.415 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424139862 458567492 /nfs/dbraw/zinc/56/74/92/458567492.db2.gz FPCQUOORZKBJKT-RBUKOAKNSA-N 2 1 337.552 3.158 20 0 EGADMP CCn1ccnc1[C@H]1CCCCN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000373721671 458583327 /nfs/dbraw/zinc/58/33/27/458583327.db2.gz VQISMXOOMMERGZ-QGZVFWFLSA-N 2 1 347.507 3.014 20 0 EGADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCCCCC1 ZINC000438567967 458599865 /nfs/dbraw/zinc/59/98/65/458599865.db2.gz HLWNVNHVGQVSGA-SFHVURJKSA-N 2 1 335.536 3.164 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)co2)cc1 ZINC000424285119 458604457 /nfs/dbraw/zinc/60/44/57/458604457.db2.gz FDZUMYNDFXSQGK-HNNXBMFYSA-N 2 1 341.455 3.314 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1OCC(F)(F)F ZINC000424367284 458625951 /nfs/dbraw/zinc/62/59/51/458625951.db2.gz LFCKRWRFTSWMBE-ZIAGYGMSSA-N 2 1 346.393 3.386 20 0 EGADMP C[NH+](C)[C@H](CC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000431798712 458626265 /nfs/dbraw/zinc/62/62/65/458626265.db2.gz QSJMOPVDFRDXTD-HXUWFJFHSA-N 2 1 343.515 3.156 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1c(C3CC3)nc3sccn13)CC[NH2+]CC2 ZINC000424373440 458628252 /nfs/dbraw/zinc/62/82/52/458628252.db2.gz GVUIZEHIJYIOKT-CYBMUJFWSA-N 2 1 330.501 3.237 20 0 EGADMP CCOc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OCC ZINC000424374597 458628318 /nfs/dbraw/zinc/62/83/18/458628318.db2.gz IHJHIMKWXSWOBH-INIZCTEOSA-N 2 1 332.488 3.448 20 0 EGADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000456361140 458646231 /nfs/dbraw/zinc/64/62/31/458646231.db2.gz VPGFKWLDNSQVJC-IBGZPJMESA-N 2 1 343.515 3.227 20 0 EGADMP CC[C@H]1C[NH+](CC)CCN1C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000456361140 458646236 /nfs/dbraw/zinc/64/62/36/458646236.db2.gz VPGFKWLDNSQVJC-IBGZPJMESA-N 2 1 343.515 3.227 20 0 EGADMP CC[C@H]1C[NH+](CC)CCN1C(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000456361140 458646240 /nfs/dbraw/zinc/64/62/40/458646240.db2.gz VPGFKWLDNSQVJC-IBGZPJMESA-N 2 1 343.515 3.227 20 0 EGADMP Cc1ccc(C)c(NC(=O)[C@@H](C)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000470984218 458672137 /nfs/dbraw/zinc/67/21/37/458672137.db2.gz QYPWIDJGXQKWQD-MJGOQNOKSA-N 2 1 343.515 3.294 20 0 EGADMP CC(C)(C)OC(=O)CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000471013265 458673405 /nfs/dbraw/zinc/67/34/05/458673405.db2.gz VPGPILVYRZFHRV-KDURUIRLSA-N 2 1 344.499 3.172 20 0 EGADMP CC(C)(C)OC(=O)CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000471013265 458673410 /nfs/dbraw/zinc/67/34/10/458673410.db2.gz VPGPILVYRZFHRV-KDURUIRLSA-N 2 1 344.499 3.172 20 0 EGADMP CC(C)(C)OC(=O)CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471013265 458673415 /nfs/dbraw/zinc/67/34/15/458673415.db2.gz VPGPILVYRZFHRV-KDURUIRLSA-N 2 1 344.499 3.172 20 0 EGADMP CC(C)(C)OC(=O)CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471013265 458673422 /nfs/dbraw/zinc/67/34/22/458673422.db2.gz VPGPILVYRZFHRV-KDURUIRLSA-N 2 1 344.499 3.172 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000530232944 458725550 /nfs/dbraw/zinc/72/55/50/458725550.db2.gz MVGWNALBLGYSQX-PELRDEGISA-N 2 1 330.516 3.397 20 0 EGADMP CCCCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1(C)C ZINC000432415979 458735615 /nfs/dbraw/zinc/73/56/15/458735615.db2.gz XSANZAMOKZKZTB-KZNAEPCWSA-N 2 1 326.525 3.061 20 0 EGADMP CCCCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1(C)C ZINC000432415979 458735620 /nfs/dbraw/zinc/73/56/20/458735620.db2.gz XSANZAMOKZKZTB-KZNAEPCWSA-N 2 1 326.525 3.061 20 0 EGADMP CCOC(=O)c1c[nH+]ccc1NCc1ccccc1C[N@H+](C)C(C)C ZINC000439963922 458771507 /nfs/dbraw/zinc/77/15/07/458771507.db2.gz VEIYOHUTJYJMHI-UHFFFAOYSA-N 2 1 341.455 3.133 20 0 EGADMP CCOC(=O)c1c[nH+]ccc1NCc1ccccc1C[N@@H+](C)C(C)C ZINC000439963922 458771512 /nfs/dbraw/zinc/77/15/12/458771512.db2.gz VEIYOHUTJYJMHI-UHFFFAOYSA-N 2 1 341.455 3.133 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440122850 458784021 /nfs/dbraw/zinc/78/40/21/458784021.db2.gz YKZMBPZLZPVKOI-KVPLUYHFSA-N 2 1 347.547 3.257 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000440122850 458784022 /nfs/dbraw/zinc/78/40/22/458784022.db2.gz YKZMBPZLZPVKOI-KVPLUYHFSA-N 2 1 347.547 3.257 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000440122850 458784024 /nfs/dbraw/zinc/78/40/24/458784024.db2.gz YKZMBPZLZPVKOI-KVPLUYHFSA-N 2 1 347.547 3.257 20 0 EGADMP COc1ccc(C[NH+](C)C)cc1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000530572607 458794160 /nfs/dbraw/zinc/79/41/60/458794160.db2.gz GBJRLQCZVKTNEH-UHFFFAOYSA-N 2 1 344.459 3.106 20 0 EGADMP C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000548064675 458831601 /nfs/dbraw/zinc/83/16/01/458831601.db2.gz XNPSTNSVOSSABI-QZTJIDSGSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000548064675 458831606 /nfs/dbraw/zinc/83/16/06/458831606.db2.gz XNPSTNSVOSSABI-QZTJIDSGSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000548064675 458831610 /nfs/dbraw/zinc/83/16/10/458831610.db2.gz XNPSTNSVOSSABI-QZTJIDSGSA-N 2 1 349.563 3.410 20 0 EGADMP FC(F)(F)OCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000474059731 458858706 /nfs/dbraw/zinc/85/87/06/458858706.db2.gz OZSOPUJYXODJGY-YESZJQIVSA-N 2 1 342.405 3.413 20 0 EGADMP COc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc(Cl)c1OC ZINC000518354063 458859734 /nfs/dbraw/zinc/85/97/34/458859734.db2.gz ZABRWUZJBBUAQQ-IUODEOHRSA-N 2 1 326.868 3.129 20 0 EGADMP COc1cc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc(Cl)c1OC ZINC000518354063 458859737 /nfs/dbraw/zinc/85/97/37/458859737.db2.gz ZABRWUZJBBUAQQ-IUODEOHRSA-N 2 1 326.868 3.129 20 0 EGADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc(Cl)c1OC ZINC000518354063 458859743 /nfs/dbraw/zinc/85/97/43/458859743.db2.gz ZABRWUZJBBUAQQ-IUODEOHRSA-N 2 1 326.868 3.129 20 0 EGADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc(Cl)c1OC ZINC000518354063 458859745 /nfs/dbraw/zinc/85/97/45/458859745.db2.gz ZABRWUZJBBUAQQ-IUODEOHRSA-N 2 1 326.868 3.129 20 0 EGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc(Cl)c1OC ZINC000518354063 458859746 /nfs/dbraw/zinc/85/97/46/458859746.db2.gz ZABRWUZJBBUAQQ-IUODEOHRSA-N 2 1 326.868 3.129 20 0 EGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc(Cl)c1OC ZINC000518354063 458859750 /nfs/dbraw/zinc/85/97/50/458859750.db2.gz ZABRWUZJBBUAQQ-IUODEOHRSA-N 2 1 326.868 3.129 20 0 EGADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000474607717 458893775 /nfs/dbraw/zinc/89/37/75/458893775.db2.gz YYIIVSAEYAWUGD-QGZVFWFLSA-N 2 1 326.488 3.392 20 0 EGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@H]2C)C1 ZINC000474710065 458898355 /nfs/dbraw/zinc/89/83/55/458898355.db2.gz OYDQWZZNXQNIPQ-ZJPYXAASSA-N 2 1 338.536 3.454 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@H]2C)C1 ZINC000474710065 458898361 /nfs/dbraw/zinc/89/83/61/458898361.db2.gz OYDQWZZNXQNIPQ-ZJPYXAASSA-N 2 1 338.536 3.454 20 0 EGADMP C[C@@H]1C[C@H](NCc2cccc(N3CCC3=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000441194683 458898911 /nfs/dbraw/zinc/89/89/11/458898911.db2.gz GIPVRFGEQVFIKF-XLIONFOSSA-N 2 1 349.478 3.176 20 0 EGADMP C[C@@H]1C[C@H](NCc2cccc(N3CCC3=O)c2)C[N@H+]1Cc1ccccc1 ZINC000441194683 458898917 /nfs/dbraw/zinc/89/89/17/458898917.db2.gz GIPVRFGEQVFIKF-XLIONFOSSA-N 2 1 349.478 3.176 20 0 EGADMP C[N@@H+](CCOc1ccc(OC(F)(F)F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000466716030 458914809 /nfs/dbraw/zinc/91/48/09/458914809.db2.gz KGRZGDDXTXLTBH-AWEZNQCLSA-N 2 1 346.393 3.238 20 0 EGADMP C[NH+](CCOc1ccc(OC(F)(F)F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000466716030 458914812 /nfs/dbraw/zinc/91/48/12/458914812.db2.gz KGRZGDDXTXLTBH-AWEZNQCLSA-N 2 1 346.393 3.238 20 0 EGADMP C[NH+](CCOc1ccc(OC(F)(F)F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000466716030 458914818 /nfs/dbraw/zinc/91/48/18/458914818.db2.gz KGRZGDDXTXLTBH-AWEZNQCLSA-N 2 1 346.393 3.238 20 0 EGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495711235 458927603 /nfs/dbraw/zinc/92/76/03/458927603.db2.gz JFEZPZQCYBDEGN-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc5c(c4)CCO5)C[C@@H]3C2)cc1 ZINC000475360899 458938766 /nfs/dbraw/zinc/93/87/66/458938766.db2.gz KMCCSRBXYJFAEP-OYRHEFFESA-N 2 1 334.463 3.185 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc5c(c4)CCO5)C[C@@H]3C2)cc1 ZINC000475360899 458938772 /nfs/dbraw/zinc/93/87/72/458938772.db2.gz KMCCSRBXYJFAEP-OYRHEFFESA-N 2 1 334.463 3.185 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc5c(c4)CCO5)C[C@@H]3C2)cc1 ZINC000475360899 458938776 /nfs/dbraw/zinc/93/87/76/458938776.db2.gz KMCCSRBXYJFAEP-OYRHEFFESA-N 2 1 334.463 3.185 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc5c(c4)CCO5)C[C@@H]3C2)cc1 ZINC000475360899 458938777 /nfs/dbraw/zinc/93/87/77/458938777.db2.gz KMCCSRBXYJFAEP-OYRHEFFESA-N 2 1 334.463 3.185 20 0 EGADMP CC[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@@H]1CC1(C)C ZINC000566467007 458943013 /nfs/dbraw/zinc/94/30/13/458943013.db2.gz RABCRAFJRDHXPK-RBUKOAKNSA-N 2 1 349.563 3.124 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCN4CC=CCC4)[C@H]3C2)cc1 ZINC000475500450 458948125 /nfs/dbraw/zinc/94/81/25/458948125.db2.gz BQRHIPOZCLKPRO-FDFHNCONSA-N 2 1 339.527 3.139 20 0 EGADMP CCc1cccc(Cl)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000475700106 458959786 /nfs/dbraw/zinc/95/97/86/458959786.db2.gz MPJHNCMMFLZCBX-OXJNMPFZSA-N 2 1 349.950 3.360 20 0 EGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000475700106 458959790 /nfs/dbraw/zinc/95/97/90/458959790.db2.gz MPJHNCMMFLZCBX-OXJNMPFZSA-N 2 1 349.950 3.360 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000495815553 458964016 /nfs/dbraw/zinc/96/40/16/458964016.db2.gz ASYOOJJKRXTFBE-GOSISDBHSA-N 2 1 348.491 3.105 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000495815553 458964028 /nfs/dbraw/zinc/96/40/28/458964028.db2.gz ASYOOJJKRXTFBE-GOSISDBHSA-N 2 1 348.491 3.105 20 0 EGADMP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000531702690 458964549 /nfs/dbraw/zinc/96/45/49/458964549.db2.gz HQDGFGDTYKHVOQ-KKSFZXQISA-N 2 1 347.522 3.312 20 0 EGADMP COc1cccc(Oc2ncccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000566672586 458980668 /nfs/dbraw/zinc/98/06/68/458980668.db2.gz LPTFACHTWZWVRO-SJPCQFCGSA-N 2 1 339.439 3.255 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000577183184 458994025 /nfs/dbraw/zinc/99/40/25/458994025.db2.gz USYRAZRBWRCMPS-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCCNC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476980500 459025615 /nfs/dbraw/zinc/02/56/15/459025615.db2.gz GRQWPSSGEQEPIH-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000442917546 459059902 /nfs/dbraw/zinc/05/99/02/459059902.db2.gz AUQYXUFNBQAYEA-QGZVFWFLSA-N 2 1 325.456 3.221 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000477917680 459066553 /nfs/dbraw/zinc/06/65/53/459066553.db2.gz OIVCUIZEOHHUTN-QUCCMNQESA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477917680 459066558 /nfs/dbraw/zinc/06/65/58/459066558.db2.gz OIVCUIZEOHHUTN-QUCCMNQESA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443059016 459079400 /nfs/dbraw/zinc/07/94/00/459079400.db2.gz LOYYGFYHSDSICB-RYUDHWBXSA-N 2 1 344.286 3.381 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443059016 459079403 /nfs/dbraw/zinc/07/94/03/459079403.db2.gz LOYYGFYHSDSICB-RYUDHWBXSA-N 2 1 344.286 3.381 20 0 EGADMP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443062298 459081345 /nfs/dbraw/zinc/08/13/45/459081345.db2.gz UILJKGMJFZRIKA-VXGBXAGGSA-N 2 1 344.286 3.381 20 0 EGADMP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443062298 459081348 /nfs/dbraw/zinc/08/13/48/459081348.db2.gz UILJKGMJFZRIKA-VXGBXAGGSA-N 2 1 344.286 3.381 20 0 EGADMP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443069333 459082602 /nfs/dbraw/zinc/08/26/02/459082602.db2.gz JQEHIHQPEBCQRK-OLZOCXBDSA-N 2 1 343.393 3.093 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(C)cc2OC)CC1 ZINC000532450338 459090292 /nfs/dbraw/zinc/09/02/92/459090292.db2.gz JWLCLDPDRNWACY-GOSISDBHSA-N 2 1 333.520 3.072 20 0 EGADMP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000532507272 459102607 /nfs/dbraw/zinc/10/26/07/459102607.db2.gz KOSRFDUXQNSQMV-ICSRJNTNSA-N 2 1 348.531 3.465 20 0 EGADMP COc1ncc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000532778062 459142891 /nfs/dbraw/zinc/14/28/91/459142891.db2.gz JPNNQXFSSAHQFY-WMLDXEAASA-N 2 1 335.879 3.192 20 0 EGADMP CC(C)C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000521380188 459145587 /nfs/dbraw/zinc/14/55/87/459145587.db2.gz OCOAXPORZDICHE-HKUYNNGSSA-N 2 1 333.520 3.208 20 0 EGADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000479794220 459167087 /nfs/dbraw/zinc/16/70/87/459167087.db2.gz SXZLXBBMLOVLEQ-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP COc1cccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000480312598 459193691 /nfs/dbraw/zinc/19/36/91/459193691.db2.gz ZKFZXRLOWLKKEU-PKOBYXMFSA-N 2 1 339.483 3.481 20 0 EGADMP Fc1ccc(Cl)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000521967497 459197036 /nfs/dbraw/zinc/19/70/36/459197036.db2.gz AMMSEARDMUDAPJ-UHFFFAOYSA-N 2 1 340.870 3.413 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC3(CCCC3)O2)[C@H](C)C1 ZINC000558723225 459204038 /nfs/dbraw/zinc/20/40/38/459204038.db2.gz OJKNQXRCZHIRFG-QRVBRYPASA-N 2 1 338.536 3.205 20 0 EGADMP COc1ccc(OC2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000533240154 459206448 /nfs/dbraw/zinc/20/64/48/459206448.db2.gz QJIWMILPDDDBIC-KRWDZBQOSA-N 2 1 332.488 3.413 20 0 EGADMP COc1ccc(OC2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000533240154 459206454 /nfs/dbraw/zinc/20/64/54/459206454.db2.gz QJIWMILPDDDBIC-KRWDZBQOSA-N 2 1 332.488 3.413 20 0 EGADMP CC[C@@H]1CCC[C@H](NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000578521084 459214729 /nfs/dbraw/zinc/21/47/29/459214729.db2.gz LRMLKLIYRMFJPM-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000590786116 459218425 /nfs/dbraw/zinc/21/84/25/459218425.db2.gz AICJHKYSXHSUAY-UHFFFAOYSA-N 2 1 334.489 3.350 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000590786116 459218428 /nfs/dbraw/zinc/21/84/28/459218428.db2.gz AICJHKYSXHSUAY-UHFFFAOYSA-N 2 1 334.489 3.350 20 0 EGADMP Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000590786961 459219880 /nfs/dbraw/zinc/21/98/80/459219880.db2.gz OJGXVKMCFXHEJC-GOSISDBHSA-N 2 1 345.531 3.052 20 0 EGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000568083329 459224563 /nfs/dbraw/zinc/22/45/63/459224563.db2.gz DBBGDMJFXNJAKE-YJBOKZPZSA-N 2 1 347.503 3.043 20 0 EGADMP COc1ccc(NC(=O)CC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000533409489 459231972 /nfs/dbraw/zinc/23/19/72/459231972.db2.gz XARDMNRJVUCEIM-UHFFFAOYSA-N 2 1 347.503 3.076 20 0 EGADMP CCCCN(CC)C(=O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481172966 459235604 /nfs/dbraw/zinc/23/56/04/459235604.db2.gz GPBJKMCJJOQJBU-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCCCN(CC)C(=O)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000481172966 459235608 /nfs/dbraw/zinc/23/56/08/459235608.db2.gz GPBJKMCJJOQJBU-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCCCN(CC)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481172966 459235616 /nfs/dbraw/zinc/23/56/16/459235616.db2.gz GPBJKMCJJOQJBU-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCCCN(CC)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481172966 459235628 /nfs/dbraw/zinc/23/56/28/459235628.db2.gz GPBJKMCJJOQJBU-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)CC1 ZINC000595311545 459273759 /nfs/dbraw/zinc/27/37/59/459273759.db2.gz HOKAPPPHYRFDQZ-FCEUIQTBSA-N 2 1 341.543 3.282 20 0 EGADMP NC(=O)OC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000496723166 459301027 /nfs/dbraw/zinc/30/10/27/459301027.db2.gz UACPQRZBFJEXAS-GOSISDBHSA-N 2 1 345.487 3.104 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000523775259 459330894 /nfs/dbraw/zinc/33/08/94/459330894.db2.gz HFVCCYCNOWBYRA-FQEVSTJZSA-N 2 1 343.515 3.234 20 0 EGADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1c(Cl)cccc1Cl ZINC000569594594 459478416 /nfs/dbraw/zinc/47/84/16/459478416.db2.gz FKOHDRWOVPXMPS-WCQYABFASA-N 2 1 331.287 3.142 20 0 EGADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1c(Cl)cccc1Cl ZINC000569594594 459478419 /nfs/dbraw/zinc/47/84/19/459478419.db2.gz FKOHDRWOVPXMPS-WCQYABFASA-N 2 1 331.287 3.142 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)C1 ZINC000497247268 459501630 /nfs/dbraw/zinc/50/16/30/459501630.db2.gz ZQDQACPWKDIQTE-IAGOWNOFSA-N 2 1 341.540 3.390 20 0 EGADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000596095272 459518889 /nfs/dbraw/zinc/51/88/89/459518889.db2.gz ONTKXULLAGPQEN-ZFWWWQNUSA-N 2 1 336.501 3.307 20 0 EGADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000596095272 459518894 /nfs/dbraw/zinc/51/88/94/459518894.db2.gz ONTKXULLAGPQEN-ZFWWWQNUSA-N 2 1 336.501 3.307 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)Cn1cccn1 ZINC000562283936 459530057 /nfs/dbraw/zinc/53/00/57/459530057.db2.gz ZUHQSNMXORIOLY-WSTZPKSXSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)Cn1cccn1 ZINC000562283936 459530063 /nfs/dbraw/zinc/53/00/63/459530063.db2.gz ZUHQSNMXORIOLY-WSTZPKSXSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@@H](O)C[C@H]1CCCC[N@H+]1CCCC[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000562502978 459574223 /nfs/dbraw/zinc/57/42/23/459574223.db2.gz RUDMEVARRHQRNU-FGYAAKKASA-N 2 1 340.552 3.017 20 0 EGADMP C[C@@H](O)C[C@H]1CCCC[NH+]1CCCC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000562502978 459574227 /nfs/dbraw/zinc/57/42/27/459574227.db2.gz RUDMEVARRHQRNU-FGYAAKKASA-N 2 1 340.552 3.017 20 0 EGADMP C[C@@H](O)C[C@H]1CCCC[NH+]1CCCC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000562502978 459574233 /nfs/dbraw/zinc/57/42/33/459574233.db2.gz RUDMEVARRHQRNU-FGYAAKKASA-N 2 1 340.552 3.017 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC/C=C\c3ccccc3)C2)CC1 ZINC000583733994 459587595 /nfs/dbraw/zinc/58/75/95/459587595.db2.gz CVCDPJVNCUQMLM-PNWMKBJFSA-N 2 1 327.516 3.190 20 0 EGADMP CC1=CC[C@@H]([NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000572861927 459588084 /nfs/dbraw/zinc/58/80/84/459588084.db2.gz GSJGGKGAYQKDFZ-NHCUHLMSSA-N 2 1 327.516 3.454 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000583814699 459600908 /nfs/dbraw/zinc/60/09/08/459600908.db2.gz IJBUUMXQNUXFAR-YFVAEKQCSA-N 2 1 349.563 3.397 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000583943621 459621676 /nfs/dbraw/zinc/62/16/76/459621676.db2.gz PHBOLAWGBRPQGZ-UHFFFAOYSA-N 2 1 347.503 3.078 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000583943621 459621681 /nfs/dbraw/zinc/62/16/81/459621681.db2.gz PHBOLAWGBRPQGZ-UHFFFAOYSA-N 2 1 347.503 3.078 20 0 EGADMP CCc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000573097153 459625819 /nfs/dbraw/zinc/62/58/19/459625819.db2.gz KMXGPJILTMWMLI-UHFFFAOYSA-N 2 1 337.511 3.286 20 0 EGADMP CC[N@@H+](CCSC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000592529389 459627292 /nfs/dbraw/zinc/62/72/92/459627292.db2.gz NJBRTMSUIZNGMI-UHFFFAOYSA-N 2 1 335.561 3.402 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000573111314 459628040 /nfs/dbraw/zinc/62/80/40/459628040.db2.gz QSIHHFZOFQTYBD-QFBILLFUSA-N 2 1 338.923 3.488 20 0 EGADMP Fc1ccccc1COc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000573206807 459642502 /nfs/dbraw/zinc/64/25/02/459642502.db2.gz OOWOIJCUTYSDMH-MJGOQNOKSA-N 2 1 340.442 3.446 20 0 EGADMP Fc1ccccc1COc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000573206807 459642507 /nfs/dbraw/zinc/64/25/07/459642507.db2.gz OOWOIJCUTYSDMH-MJGOQNOKSA-N 2 1 340.442 3.446 20 0 EGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000573315544 459658562 /nfs/dbraw/zinc/65/85/62/459658562.db2.gz ANEAKMIAIFKUEG-RBUKOAKNSA-N 2 1 338.455 3.084 20 0 EGADMP c1ccc(C[NH+]2CCC(NC[C@H]3CC[N@@H+]3C3CCCCC3)CC2)nc1 ZINC000527751030 459724798 /nfs/dbraw/zinc/72/47/98/459724798.db2.gz DQDFMUCTTQLSHE-OAQYLSRUSA-N 2 1 342.531 3.043 20 0 EGADMP c1ccc(C[NH+]2CCC(NC[C@H]3CC[N@H+]3C3CCCCC3)CC2)nc1 ZINC000527751030 459724803 /nfs/dbraw/zinc/72/48/03/459724803.db2.gz DQDFMUCTTQLSHE-OAQYLSRUSA-N 2 1 342.531 3.043 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(Cl)c2)C1 ZINC000584497370 459753844 /nfs/dbraw/zinc/75/38/44/459753844.db2.gz VAXORURKOSAFHV-CABCVRRESA-N 2 1 337.895 3.377 20 0 EGADMP C[C@@H](c1nc(-c2cccs2)no1)N1CC[C@H](c2nccn2C)C1 ZINC000573931384 459759801 /nfs/dbraw/zinc/75/98/01/459759801.db2.gz TZJROSURCQDGAQ-RYUDHWBXSA-N 2 1 329.429 3.082 20 0 EGADMP Cc1nccc([C@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)n1 ZINC000585749084 459840756 /nfs/dbraw/zinc/84/07/56/459840756.db2.gz SHCDXNYDXRTXMJ-SFHVURJKSA-N 2 1 333.439 3.350 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2[nH]ccc2c1 ZINC000574927113 459895892 /nfs/dbraw/zinc/89/58/92/459895892.db2.gz XXZBHGWQQZXXRY-UNMCSNQZSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000574927113 459895896 /nfs/dbraw/zinc/89/58/96/459895896.db2.gz XXZBHGWQQZXXRY-UNMCSNQZSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000574927113 459895897 /nfs/dbraw/zinc/89/58/97/459895897.db2.gz XXZBHGWQQZXXRY-UNMCSNQZSA-N 2 1 349.478 3.141 20 0 EGADMP Cc1nccnc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000621728950 460032818 /nfs/dbraw/zinc/03/28/18/460032818.db2.gz DKBXWKLTGOXSHW-UHFFFAOYSA-N 2 1 336.483 3.273 20 0 EGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602642679 460038959 /nfs/dbraw/zinc/03/89/59/460038959.db2.gz FXVYDFUFYLCAQL-XFKSJGNHSA-N 2 1 342.483 3.286 20 0 EGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602642679 460038965 /nfs/dbraw/zinc/03/89/65/460038965.db2.gz FXVYDFUFYLCAQL-XFKSJGNHSA-N 2 1 342.483 3.286 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]CC[C@H](C)[NH+]2CCCCC2)c2ccccc21 ZINC000621759209 460052385 /nfs/dbraw/zinc/05/23/85/460052385.db2.gz RMJIMASRUSOTKL-QFBILLFUSA-N 2 1 329.488 3.338 20 0 EGADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C2 ZINC000621781162 460061637 /nfs/dbraw/zinc/06/16/37/460061637.db2.gz ZRACYVRZTXJOFV-PGRDOPGGSA-N 2 1 349.478 3.495 20 0 EGADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C2 ZINC000621781162 460061643 /nfs/dbraw/zinc/06/16/43/460061643.db2.gz ZRACYVRZTXJOFV-PGRDOPGGSA-N 2 1 349.478 3.495 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cncc(Br)c2)C1 ZINC000576122977 460075865 /nfs/dbraw/zinc/07/58/65/460075865.db2.gz VPEWGGYDZUNGPE-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cncc(Br)c2)C1 ZINC000576122977 460075870 /nfs/dbraw/zinc/07/58/70/460075870.db2.gz VPEWGGYDZUNGPE-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1C ZINC000598964809 460107089 /nfs/dbraw/zinc/10/70/89/460107089.db2.gz YRQRYTPHGNUNEP-INIZCTEOSA-N 2 1 335.492 3.018 20 0 EGADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@H]1c1ccccc1 ZINC000576364419 460126425 /nfs/dbraw/zinc/12/64/25/460126425.db2.gz GPGZNCAQBZFGFM-ZVDOUQERSA-N 2 1 327.516 3.428 20 0 EGADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@H]1c1ccccc1 ZINC000576364419 460126429 /nfs/dbraw/zinc/12/64/29/460126429.db2.gz GPGZNCAQBZFGFM-ZVDOUQERSA-N 2 1 327.516 3.428 20 0 EGADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)C[C@H]1c1ccccc1 ZINC000576364419 460126433 /nfs/dbraw/zinc/12/64/33/460126433.db2.gz GPGZNCAQBZFGFM-ZVDOUQERSA-N 2 1 327.516 3.428 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000576402261 460134820 /nfs/dbraw/zinc/13/48/20/460134820.db2.gz APQLJDBDPYHKAE-GOSISDBHSA-N 2 1 333.520 3.167 20 0 EGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000622569217 460280358 /nfs/dbraw/zinc/28/03/58/460280358.db2.gz WCBYMJNYPXVIFV-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622569217 460280368 /nfs/dbraw/zinc/28/03/68/460280368.db2.gz WCBYMJNYPXVIFV-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000622569217 460280370 /nfs/dbraw/zinc/28/03/70/460280370.db2.gz WCBYMJNYPXVIFV-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000625996438 460329906 /nfs/dbraw/zinc/32/99/06/460329906.db2.gz CBRRPOVMNJWOQS-GOSISDBHSA-N 2 1 346.519 3.466 20 0 EGADMP CC(=O)NCCC[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000623015093 460384260 /nfs/dbraw/zinc/38/42/60/460384260.db2.gz BXOUCKZSGVLKRS-OAQYLSRUSA-N 2 1 345.531 3.041 20 0 EGADMP CC(C)[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000628612232 460466004 /nfs/dbraw/zinc/46/60/04/460466004.db2.gz UZWXZZVXCLERSE-FQEVSTJZSA-N 2 1 345.531 3.087 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000604774317 460477407 /nfs/dbraw/zinc/47/74/07/460477407.db2.gz PVOLVFICHGJTOJ-GVDBMIGSSA-N 2 1 325.541 3.122 20 0 EGADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604773119 460477326 /nfs/dbraw/zinc/47/73/26/460477326.db2.gz AAPTYTQAJBTNAS-HKUYNNGSSA-N 2 1 347.547 3.380 20 0 EGADMP CC[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000634717511 460490385 /nfs/dbraw/zinc/49/03/85/460490385.db2.gz MSEJLSRMJUNLPQ-DOTOQJQBSA-N 2 1 344.421 3.192 20 0 EGADMP CC[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000634717511 460490389 /nfs/dbraw/zinc/49/03/89/460490389.db2.gz MSEJLSRMJUNLPQ-DOTOQJQBSA-N 2 1 344.421 3.192 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000631668094 460501601 /nfs/dbraw/zinc/50/16/01/460501601.db2.gz VLLBEXFSZAOWRJ-DBXWQHBBSA-N 3 1 329.532 3.074 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000631668094 460501605 /nfs/dbraw/zinc/50/16/05/460501605.db2.gz VLLBEXFSZAOWRJ-DBXWQHBBSA-N 2 1 329.532 3.074 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@@H](O)C(F)(F)F)cc1 ZINC000631719413 460531151 /nfs/dbraw/zinc/53/11/51/460531151.db2.gz MVYMROYKTQHZOT-FIXISWKDSA-N 2 1 327.350 3.143 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[NH+](C)C2)cc1 ZINC000628756268 460531526 /nfs/dbraw/zinc/53/15/26/460531526.db2.gz QTATXEKSNXLMOJ-LJQANCHMSA-N 2 1 345.531 3.380 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000628756268 460531532 /nfs/dbraw/zinc/53/15/32/460531532.db2.gz QTATXEKSNXLMOJ-LJQANCHMSA-N 2 1 345.531 3.380 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000628756268 460531538 /nfs/dbraw/zinc/53/15/38/460531538.db2.gz QTATXEKSNXLMOJ-LJQANCHMSA-N 2 1 345.531 3.380 20 0 EGADMP O=C([C@@H]1CC[N@H+]1C1CCCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000635495042 460810545 /nfs/dbraw/zinc/81/05/45/460810545.db2.gz MGHHNFJSOKLQMJ-QUCCMNQESA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629563861 460811137 /nfs/dbraw/zinc/81/11/37/460811137.db2.gz RTGHYTXOLUJTQP-ZBFHGGJFSA-N 2 1 330.394 3.433 20 0 EGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629563861 460811146 /nfs/dbraw/zinc/81/11/46/460811146.db2.gz RTGHYTXOLUJTQP-ZBFHGGJFSA-N 2 1 330.394 3.433 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000617344878 460819946 /nfs/dbraw/zinc/81/99/46/460819946.db2.gz RELOJYKWVXPEGF-SFHVURJKSA-N 2 1 331.504 3.131 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000635566749 460833897 /nfs/dbraw/zinc/83/38/97/460833897.db2.gz YLSRZTBMOCNNTH-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000635566749 460833903 /nfs/dbraw/zinc/83/39/03/460833903.db2.gz YLSRZTBMOCNNTH-ZWKOTPCHSA-N 2 1 346.519 3.120 20 0 EGADMP COc1ccc(-c2ccccc2C)cc1C[N@@H+](C)CCOCC[NH3+] ZINC000629661607 460854687 /nfs/dbraw/zinc/85/46/87/460854687.db2.gz BUMASMBKGGNVQF-UHFFFAOYSA-N 2 1 328.456 3.078 20 0 EGADMP C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(Br)cn1 ZINC000624123546 460873163 /nfs/dbraw/zinc/87/31/63/460873163.db2.gz NWEWRPGQZUGOFD-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(Br)cn1 ZINC000624123546 460873171 /nfs/dbraw/zinc/87/31/71/460873171.db2.gz NWEWRPGQZUGOFD-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Br)cn1 ZINC000624123546 460873176 /nfs/dbraw/zinc/87/31/76/460873176.db2.gz NWEWRPGQZUGOFD-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP [NH3+]CC1(Cc2ccc(-c3ccc(C[NH+]4CCOCC4)cc3)cc2)CC1 ZINC000629733446 460895173 /nfs/dbraw/zinc/89/51/73/460895173.db2.gz STGYIDOAJGIDKM-UHFFFAOYSA-N 2 1 336.479 3.467 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[NH+](C)C2CCC2)cc1 ZINC000629948762 460968483 /nfs/dbraw/zinc/96/84/83/460968483.db2.gz IPMNWCRXWCSKNR-MRXNPFEDSA-N 2 1 329.488 3.484 20 0 EGADMP C[NH+](C)CCOC1CC[NH+](Cc2csc(C(F)(F)F)c2)CC1 ZINC000628169491 461031586 /nfs/dbraw/zinc/03/15/86/461031586.db2.gz CXMJVSLCSUVJKZ-UHFFFAOYSA-N 2 1 336.423 3.310 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](C[C@@H](C)c2ccc(C)cc2)CC1 ZINC000628274758 461068296 /nfs/dbraw/zinc/06/82/96/461068296.db2.gz LDTUQYZUZVRVES-LJQANCHMSA-N 2 1 348.531 3.158 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000668147071 461134266 /nfs/dbraw/zinc/13/42/66/461134266.db2.gz YZJNZTGKUDMWMR-UBLGTCEWSA-N 2 1 332.488 3.157 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000668147071 461134277 /nfs/dbraw/zinc/13/42/77/461134277.db2.gz YZJNZTGKUDMWMR-UBLGTCEWSA-N 2 1 332.488 3.157 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000668147071 461134287 /nfs/dbraw/zinc/13/42/87/461134287.db2.gz YZJNZTGKUDMWMR-UBLGTCEWSA-N 2 1 332.488 3.157 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000652349291 461141718 /nfs/dbraw/zinc/14/17/18/461141718.db2.gz JHYYIXCQGNZYFX-VMGRFDJRSA-N 2 1 326.843 3.197 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ncc(-c4cccs4)o3)C2)C1 ZINC000652349351 461142471 /nfs/dbraw/zinc/14/24/71/461142471.db2.gz LMZPKLGDXGCFQC-RBSFLKMASA-N 2 1 347.484 3.121 20 0 EGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c2ccccc2n1 ZINC000652363065 461156731 /nfs/dbraw/zinc/15/67/31/461156731.db2.gz XDKBLYFLGGZLEX-WMQCIHAUSA-N 2 1 339.483 3.404 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2coc(-c3cccs3)n2)C1 ZINC000652363052 461157162 /nfs/dbraw/zinc/15/71/62/461157162.db2.gz WIXSKPZTUVHPLL-KBMXLJTQSA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2coc(-c3cccs3)n2)C1 ZINC000652363052 461157172 /nfs/dbraw/zinc/15/71/72/461157172.db2.gz WIXSKPZTUVHPLL-KBMXLJTQSA-N 2 1 347.484 3.264 20 0 EGADMP COc1ccc(-c2cc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)on2)cc1 ZINC000662277443 461163520 /nfs/dbraw/zinc/16/35/20/461163520.db2.gz UXFPXPNPGLZIPB-JXFKEZNVSA-N 2 1 341.455 3.314 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)on2)cc1 ZINC000662277443 461163532 /nfs/dbraw/zinc/16/35/32/461163532.db2.gz UXFPXPNPGLZIPB-JXFKEZNVSA-N 2 1 341.455 3.314 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1cc(F)ccc1OC(F)F)CC[NH2+]CC2 ZINC000662283450 461166176 /nfs/dbraw/zinc/16/61/76/461166176.db2.gz OHJHCSALQUGARC-LBPRGKRZSA-N 2 1 328.378 3.391 20 0 EGADMP c1cc(-c2noc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cs1 ZINC000662297852 461175417 /nfs/dbraw/zinc/17/54/17/461175417.db2.gz SLJNOMANXJTMET-AWEZNQCLSA-N 2 1 332.473 3.010 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)[C@@H]2CCc3cc(OC)c(OC)cc32)[C@H](C)C1 ZINC000638114399 461250920 /nfs/dbraw/zinc/25/09/20/461250920.db2.gz IVGBSDGJVSMACG-FHLIZLRMSA-N 2 1 332.488 3.353 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)[C@@H]2CCc3cc(OC)c(OC)cc32)[C@H](C)C1 ZINC000638114399 461250929 /nfs/dbraw/zinc/25/09/29/461250929.db2.gz IVGBSDGJVSMACG-FHLIZLRMSA-N 2 1 332.488 3.353 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)[C@@H]2CCc3cc(OC)c(OC)cc32)[C@H](C)C1 ZINC000638114399 461250936 /nfs/dbraw/zinc/25/09/36/461250936.db2.gz IVGBSDGJVSMACG-FHLIZLRMSA-N 2 1 332.488 3.353 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)[C@@H]2CCc3cc(OC)c(OC)cc32)[C@H](C)C1 ZINC000638114399 461250942 /nfs/dbraw/zinc/25/09/42/461250942.db2.gz IVGBSDGJVSMACG-FHLIZLRMSA-N 2 1 332.488 3.353 20 0 EGADMP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000638120839 461252963 /nfs/dbraw/zinc/25/29/63/461252963.db2.gz APUZRNPHDCLWBK-HLLBOEOZSA-N 2 1 337.533 3.011 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c(Cl)cc1O ZINC000638173340 461286640 /nfs/dbraw/zinc/28/66/40/461286640.db2.gz WGIZKNQLSIWGCV-WFASDCNBSA-N 2 1 335.835 3.334 20 0 EGADMP COc1cc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)c(Cl)cc1O ZINC000638173340 461286644 /nfs/dbraw/zinc/28/66/44/461286644.db2.gz WGIZKNQLSIWGCV-WFASDCNBSA-N 2 1 335.835 3.334 20 0 EGADMP CC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000633944382 461341961 /nfs/dbraw/zinc/34/19/61/461341961.db2.gz RRJHODGQCIUSLP-GOSISDBHSA-N 2 1 347.547 3.118 20 0 EGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662745551 461363214 /nfs/dbraw/zinc/36/32/14/461363214.db2.gz NOOPOQOMRAJRKN-RBUKOAKNSA-N 2 1 343.515 3.012 20 0 EGADMP COc1ccc2cc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)ccc2c1 ZINC000655698846 461370571 /nfs/dbraw/zinc/37/05/71/461370571.db2.gz XUDDLAYDQAKUFU-FQEVSTJZSA-N 2 1 340.467 3.191 20 0 EGADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000655711637 461381958 /nfs/dbraw/zinc/38/19/58/461381958.db2.gz KBSBWJPUKHUOGT-KRWDZBQOSA-N 2 1 326.488 3.311 20 0 EGADMP FC(F)(F)[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655719706 461388968 /nfs/dbraw/zinc/38/89/68/461388968.db2.gz VXIOFZAYBVBMBY-NUEKZKHPSA-N 2 1 334.426 3.198 20 0 EGADMP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655720728 461389315 /nfs/dbraw/zinc/38/93/15/461389315.db2.gz DWQGCJUGQYLUQB-LZWOXQAQSA-N 2 1 334.426 3.198 20 0 EGADMP Clc1ccccc1C1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655736063 461403305 /nfs/dbraw/zinc/40/33/05/461403305.db2.gz CUBRJGKTIGJVFB-INIZCTEOSA-N 2 1 334.891 3.215 20 0 EGADMP COc1cccc(C(C)(C)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655735162 461403987 /nfs/dbraw/zinc/40/39/87/461403987.db2.gz RFTNXQXOCCACGH-HXUWFJFHSA-N 2 1 346.515 3.206 20 0 EGADMP C[C@H](N[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C(=O)NC(C)(C)C ZINC000638426538 461423564 /nfs/dbraw/zinc/42/35/64/461423564.db2.gz UQHYIEKJPOKILV-VDZJLULYSA-N 2 1 343.515 3.247 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)C(=O)NC(C)(C)C ZINC000638426538 461423570 /nfs/dbraw/zinc/42/35/70/461423570.db2.gz UQHYIEKJPOKILV-VDZJLULYSA-N 2 1 343.515 3.247 20 0 EGADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CCC(C)(C)[NH3+] ZINC000638445622 461431391 /nfs/dbraw/zinc/43/13/91/461431391.db2.gz QCAYCUSVYONKJG-UHFFFAOYSA-N 2 1 343.471 3.045 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CCC(C)(C)[NH3+] ZINC000638445622 461431396 /nfs/dbraw/zinc/43/13/96/461431396.db2.gz QCAYCUSVYONKJG-UHFFFAOYSA-N 2 1 343.471 3.045 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CC[C@H](C)[NH+]2CCCCC2)o1 ZINC000647200776 461560831 /nfs/dbraw/zinc/56/08/31/461560831.db2.gz GLQNHKISBHKJFS-HNNXBMFYSA-N 2 1 330.476 3.343 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000663343832 461570534 /nfs/dbraw/zinc/57/05/34/461570534.db2.gz GMOLHMLAVHQREL-YLJYHZDGSA-N 2 1 328.500 3.264 20 0 EGADMP C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344212 461571129 /nfs/dbraw/zinc/57/11/29/461571129.db2.gz PFTVPEAVDRALGO-IBGZPJMESA-N 2 1 333.564 3.495 20 0 EGADMP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344212 461571139 /nfs/dbraw/zinc/57/11/39/461571139.db2.gz PFTVPEAVDRALGO-IBGZPJMESA-N 3 1 333.564 3.495 20 0 EGADMP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344212 461571151 /nfs/dbraw/zinc/57/11/51/461571151.db2.gz PFTVPEAVDRALGO-IBGZPJMESA-N 3 1 333.564 3.495 20 0 EGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347091 461578243 /nfs/dbraw/zinc/57/82/43/461578243.db2.gz ZFLNXHFYMUEKAN-GOSISDBHSA-N 2 1 332.536 3.467 20 0 EGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347091 461578253 /nfs/dbraw/zinc/57/82/53/461578253.db2.gz ZFLNXHFYMUEKAN-GOSISDBHSA-N 2 1 332.536 3.467 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(F)c1OC(F)F ZINC000660116787 461589042 /nfs/dbraw/zinc/58/90/42/461589042.db2.gz LBECEVSVKLTYQC-UHFFFAOYSA-N 2 1 327.350 3.454 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(F)c1OC(F)F ZINC000660116787 461589046 /nfs/dbraw/zinc/58/90/46/461589046.db2.gz LBECEVSVKLTYQC-UHFFFAOYSA-N 2 1 327.350 3.454 20 0 EGADMP C[C@@H]1[C@H](C)N(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C[N@H+]1C ZINC000650146423 461597662 /nfs/dbraw/zinc/59/76/62/461597662.db2.gz ARORQOQDAXDBJI-KSZLIROESA-N 2 1 343.515 3.226 20 0 EGADMP C[C@@H]1C[N@H+](CC[C@H]2CCc3ccccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000660158991 461612000 /nfs/dbraw/zinc/61/20/00/461612000.db2.gz YQOXBQOLZQQUJY-UZKOGDIHSA-N 2 1 341.543 3.064 20 0 EGADMP C[C@@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000660158991 461612004 /nfs/dbraw/zinc/61/20/04/461612004.db2.gz YQOXBQOLZQQUJY-UZKOGDIHSA-N 2 1 341.543 3.064 20 0 EGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000647290018 461615479 /nfs/dbraw/zinc/61/54/79/461615479.db2.gz SPVWBYKNARSVGI-WMZOPIPTSA-N 2 1 338.442 3.037 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000647290018 461615485 /nfs/dbraw/zinc/61/54/85/461615485.db2.gz SPVWBYKNARSVGI-WMZOPIPTSA-N 2 1 338.442 3.037 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000631193813 461632962 /nfs/dbraw/zinc/63/29/62/461632962.db2.gz GEFOVVGAASVUJN-OXJNMPFZSA-N 2 1 336.483 3.212 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000631193813 461632967 /nfs/dbraw/zinc/63/29/67/461632967.db2.gz GEFOVVGAASVUJN-OXJNMPFZSA-N 2 1 336.483 3.212 20 0 EGADMP OCc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000647322163 461633229 /nfs/dbraw/zinc/63/32/29/461633229.db2.gz IXEHSXAZJLKSID-DKUWSORSSA-N 2 1 336.479 3.464 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1O ZINC000631196386 461637081 /nfs/dbraw/zinc/63/70/81/461637081.db2.gz QUNXWEXAXFSWRO-LPHOPBHVSA-N 2 1 340.467 3.259 20 0 EGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663467851 461656925 /nfs/dbraw/zinc/65/69/25/461656925.db2.gz IHOKDDQKSPBKKG-MAUKXSAKSA-N 2 1 329.488 3.418 20 0 EGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663467851 461656935 /nfs/dbraw/zinc/65/69/35/461656935.db2.gz IHOKDDQKSPBKKG-MAUKXSAKSA-N 2 1 329.488 3.418 20 0 EGADMP c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000643285849 461666528 /nfs/dbraw/zinc/66/65/28/461666528.db2.gz DCGNSFCWDPXFPU-ROUUACIJSA-N 2 1 336.483 3.316 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc([C@@H](C)[NH3+])cc3)C2)cc1 ZINC000639001856 461674622 /nfs/dbraw/zinc/67/46/22/461674622.db2.gz POVQSUPKJJMIGB-OXQOHEQNSA-N 2 1 337.467 3.019 20 0 EGADMP C[C@@H](c1ccsc1)[NH+]1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000660288201 461688791 /nfs/dbraw/zinc/68/87/91/461688791.db2.gz OQAIJFCCZGALPE-KURKYZTESA-N 2 1 335.561 3.405 20 0 EGADMP C[C@@H]1C[N@@H+]([C@@H](CNc2[nH+]ccc3[nH]ccc32)c2cccs2)CCO1 ZINC000663562392 461704874 /nfs/dbraw/zinc/70/48/74/461704874.db2.gz HQVJPPPLYDHTQA-CJNGLKHVSA-N 2 1 342.468 3.498 20 0 EGADMP C[C@@H]1C[N@H+]([C@@H](CNc2[nH+]ccc3[nH]ccc32)c2cccs2)CCO1 ZINC000663562392 461704883 /nfs/dbraw/zinc/70/48/83/461704883.db2.gz HQVJPPPLYDHTQA-CJNGLKHVSA-N 2 1 342.468 3.498 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC[N@H+]1C ZINC000631338902 461719565 /nfs/dbraw/zinc/71/95/65/461719565.db2.gz OJRURXWUMWWSEH-FFZOFVMBSA-N 2 1 343.515 3.059 20 0 EGADMP FC(F)(F)OCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639094426 461721891 /nfs/dbraw/zinc/72/18/91/461721891.db2.gz QWIZCGOBCMKEBT-ZBFHGGJFSA-N 2 1 328.378 3.481 20 0 EGADMP FC(F)(F)OCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639094426 461721896 /nfs/dbraw/zinc/72/18/96/461721896.db2.gz QWIZCGOBCMKEBT-ZBFHGGJFSA-N 2 1 328.378 3.481 20 0 EGADMP CC[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)CC[C@@H]1[NH3+] ZINC000647498716 461736925 /nfs/dbraw/zinc/73/69/25/461736925.db2.gz OBXDYWWEDNSKGR-APWZRJJASA-N 2 1 325.456 3.220 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)CC[C@@H]1[NH3+] ZINC000647498716 461736928 /nfs/dbraw/zinc/73/69/28/461736928.db2.gz OBXDYWWEDNSKGR-APWZRJJASA-N 2 1 325.456 3.220 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(N2CCCC2)n1 ZINC000643471360 461739018 /nfs/dbraw/zinc/73/90/18/461739018.db2.gz WTEYAQKURJIRLL-HSALFYBXSA-N 2 1 342.531 3.391 20 0 EGADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CCO2 ZINC000643482387 461742615 /nfs/dbraw/zinc/74/26/15/461742615.db2.gz FXNYDKZFVYQIIX-JCHJZTRSSA-N 2 1 330.472 3.419 20 0 EGADMP Cc1c([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)nnn1-c1ccc(C)cc1 ZINC000643523432 461751698 /nfs/dbraw/zinc/75/16/98/461751698.db2.gz DLFHICWSWQIIRB-OAHLLOKOSA-N 2 1 347.466 3.338 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000647544511 461758475 /nfs/dbraw/zinc/75/84/75/461758475.db2.gz BVUUJZFLZULOLA-SJORKVTESA-N 2 1 342.487 3.200 20 0 EGADMP CCOCc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1OC ZINC000647544360 461758741 /nfs/dbraw/zinc/75/87/41/461758741.db2.gz ZLHMLHZBXRBCSQ-RBUKOAKNSA-N 2 1 346.515 3.443 20 0 EGADMP Cc1ncc([C@@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)s1 ZINC000643544662 461758887 /nfs/dbraw/zinc/75/88/87/461758887.db2.gz SGHIOPAGWXKJJG-OAHLLOKOSA-N 2 1 344.528 3.096 20 0 EGADMP COc1cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc(OC)c1OC ZINC000643546738 461759574 /nfs/dbraw/zinc/75/95/74/461759574.db2.gz UGBCUDVARMGWMQ-HIFRSBDPSA-N 2 1 334.460 3.038 20 0 EGADMP c1ccc(-c2ncc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC000647543606 461759831 /nfs/dbraw/zinc/75/98/31/461759831.db2.gz QEIISEANHJVYRY-UXHICEINSA-N 2 1 336.483 3.355 20 0 EGADMP CC[C@@H]1c2ccccc2CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000669690153 461768600 /nfs/dbraw/zinc/76/86/00/461768600.db2.gz KLZCVVJDGZMEQH-OAQYLSRUSA-N 2 1 329.532 3.412 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000656534177 461777054 /nfs/dbraw/zinc/77/70/54/461777054.db2.gz GYYDKIJSEMODDX-FQEVSTJZSA-N 2 1 344.886 3.239 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@@H+](C)C[C@@H]1CCn3ccnc3C1)CC2 ZINC000639178432 461784844 /nfs/dbraw/zinc/78/48/44/461784844.db2.gz IPUYFTZXHXZMHR-RHSMWYFYSA-N 2 1 341.455 3.082 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+](C)C[C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000639178432 461784846 /nfs/dbraw/zinc/78/48/46/461784846.db2.gz IPUYFTZXHXZMHR-RHSMWYFYSA-N 2 1 341.455 3.082 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@@H+](C)C[C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000639178432 461784847 /nfs/dbraw/zinc/78/48/47/461784847.db2.gz IPUYFTZXHXZMHR-RHSMWYFYSA-N 2 1 341.455 3.082 20 0 EGADMP c1ccc2nc(N3CCCCC3)c(C[NH2+][C@H]3CCC[NH2+]CC3)cc2c1 ZINC000666856372 461838802 /nfs/dbraw/zinc/83/88/02/461838802.db2.gz FCXZDMGMNAOWAE-IBGZPJMESA-N 2 1 338.499 3.457 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000660550089 461848731 /nfs/dbraw/zinc/84/87/31/461848731.db2.gz SXCRDOOSFBGVGZ-GDBMZVCRSA-N 2 1 346.437 3.269 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000660550089 461848737 /nfs/dbraw/zinc/84/87/37/461848737.db2.gz SXCRDOOSFBGVGZ-GDBMZVCRSA-N 2 1 346.437 3.269 20 0 EGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000660550089 461848745 /nfs/dbraw/zinc/84/87/45/461848745.db2.gz SXCRDOOSFBGVGZ-GDBMZVCRSA-N 2 1 346.437 3.269 20 0 EGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000660550089 461848750 /nfs/dbraw/zinc/84/87/50/461848750.db2.gz SXCRDOOSFBGVGZ-GDBMZVCRSA-N 2 1 346.437 3.269 20 0 EGADMP FC(F)(F)c1ccccc1OCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814864 461849769 /nfs/dbraw/zinc/84/97/69/461849769.db2.gz JDNYWQPSJIXIDV-UHFFFAOYSA-N 2 1 328.378 3.301 20 0 EGADMP COc1ccc2ccccc2c1-c1cc(C[N@H+](C)CCC[NH3+])on1 ZINC000647847224 461858319 /nfs/dbraw/zinc/85/83/19/461858319.db2.gz IGCPTUXSLDCUAU-UHFFFAOYSA-N 2 1 325.412 3.284 20 0 EGADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+](C)CCC[NH3+])on1 ZINC000647847224 461858328 /nfs/dbraw/zinc/85/83/28/461858328.db2.gz IGCPTUXSLDCUAU-UHFFFAOYSA-N 2 1 325.412 3.284 20 0 EGADMP Cc1cc(CO)cc(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)[nH+]1 ZINC000647856554 461860446 /nfs/dbraw/zinc/86/04/46/461860446.db2.gz HWCQULXUPDYGTP-QGZVFWFLSA-N 2 1 339.483 3.291 20 0 EGADMP Cc1cc(CO)cc(NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)[nH+]1 ZINC000647856554 461860452 /nfs/dbraw/zinc/86/04/52/461860452.db2.gz HWCQULXUPDYGTP-QGZVFWFLSA-N 2 1 339.483 3.291 20 0 EGADMP COc1cc(C)c([C@H](C)[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1C ZINC000639334168 461867680 /nfs/dbraw/zinc/86/76/80/461867680.db2.gz ADNCGGCNFMYTAY-ROUUACIJSA-N 2 1 334.504 3.416 20 0 EGADMP c1cc2c(c([C@H]3CCC[N@@H+]3CCCC3CC[NH2+]CC3)c1)OCCO2 ZINC000647883920 461870136 /nfs/dbraw/zinc/87/01/36/461870136.db2.gz KDXWXVDUHVPCIH-GOSISDBHSA-N 2 1 330.472 3.375 20 0 EGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650706752 461900039 /nfs/dbraw/zinc/90/00/39/461900039.db2.gz RTNAIRJDAGSAOH-BJLQDIEVSA-N 2 1 332.488 3.192 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000650706279 461900075 /nfs/dbraw/zinc/90/00/75/461900075.db2.gz HTMGGAYPOKNGOQ-RLFYNMQTSA-N 2 1 338.879 3.067 20 0 EGADMP COc1ccc2oc(C[N@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)cc2c1 ZINC000650707262 461900197 /nfs/dbraw/zinc/90/01/97/461900197.db2.gz BXMRHCPCIFDJKZ-NBQZKYEYSA-N 2 1 344.455 3.160 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3csc(-c4ccco4)n3)C2)C1 ZINC000650706158 461900269 /nfs/dbraw/zinc/90/02/69/461900269.db2.gz FMVMQWIBEWWBGE-CKEIUWERSA-N 2 1 347.484 3.121 20 0 EGADMP CC(C)(C)c1nc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000650707045 461900424 /nfs/dbraw/zinc/90/04/24/461900424.db2.gz XLEBBZADGQOPBR-LZWOXQAQSA-N 2 1 337.533 3.159 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)s3)C2)C1 ZINC000650707352 461901265 /nfs/dbraw/zinc/90/12/65/461901265.db2.gz DHJMQMWYKPVMSL-BZPMIXESSA-N 2 1 348.434 3.485 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3nc4ccc(F)cc4s3)C2)C1 ZINC000650707444 461902251 /nfs/dbraw/zinc/90/22/51/461902251.db2.gz GKWGUFFICJNBLK-XPKDYRNWSA-N 2 1 349.475 3.154 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(-c3ccncc3)cc1F)C2 ZINC000650709208 461902887 /nfs/dbraw/zinc/90/28/87/461902887.db2.gz JOLDMSFSILXLHL-ICSRJNTNSA-N 2 1 325.431 3.449 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(OCc3cccnc3)cc1)C2 ZINC000650709905 461903787 /nfs/dbraw/zinc/90/37/87/461903787.db2.gz WTCJHRSLBMRERT-FPOVZHCZSA-N 2 1 337.467 3.221 20 0 EGADMP Cc1nc2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)cc2s1 ZINC000650723025 461914882 /nfs/dbraw/zinc/91/48/82/461914882.db2.gz GKYXNNFRYLLHQH-KBAYOESNSA-N 2 1 345.512 3.466 20 0 EGADMP C[NH+](C)CCOc1ccc(C[NH+]2CC(C)(CC(F)(F)F)C2)cc1 ZINC000656822333 461914990 /nfs/dbraw/zinc/91/49/90/461914990.db2.gz KIVXPURBTCMJIE-UHFFFAOYSA-N 2 1 330.394 3.401 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(OC(F)F)c2)C1 ZINC000650723855 461916501 /nfs/dbraw/zinc/91/65/01/461916501.db2.gz VAYBZSGZAVZMEW-OIISXLGYSA-N 2 1 340.414 3.149 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977680 461918407 /nfs/dbraw/zinc/91/84/07/461918407.db2.gz FZPHYBMPRNUUSF-SJORKVTESA-N 2 1 347.478 3.174 20 0 EGADMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000647976299 461919322 /nfs/dbraw/zinc/91/93/22/461919322.db2.gz MRZWJDVUHIKFNH-HZPDHXFCSA-N 2 1 349.906 3.380 20 0 EGADMP O[C@@H](CCc1ccccc1)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678572 461921848 /nfs/dbraw/zinc/92/18/48/461921848.db2.gz WFZYSRPIKCTNMW-QFIPXVFZSA-N 2 1 338.495 3.234 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000648035897 461951945 /nfs/dbraw/zinc/95/19/45/461951945.db2.gz UJHFDYHJOYQXBS-QGZVFWFLSA-N 2 1 342.487 3.152 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000648050841 461957763 /nfs/dbraw/zinc/95/77/63/461957763.db2.gz UTAKTJKYKAILPB-NRFANRHFSA-N 2 1 340.467 3.280 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCc4cnccn4)CC[C@@H]32)cc1 ZINC000639518383 461966692 /nfs/dbraw/zinc/96/66/92/461966692.db2.gz GHLNFCBHZNZETE-CTNGQTDRSA-N 2 1 336.483 3.006 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCc4cnccn4)CC[C@@H]32)cc1 ZINC000639518383 461966696 /nfs/dbraw/zinc/96/66/96/461966696.db2.gz GHLNFCBHZNZETE-CTNGQTDRSA-N 2 1 336.483 3.006 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCc4cnccn4)CC[C@@H]32)cc1 ZINC000639518383 461966706 /nfs/dbraw/zinc/96/67/06/461966706.db2.gz GHLNFCBHZNZETE-CTNGQTDRSA-N 2 1 336.483 3.006 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCc4cnccn4)CC[C@@H]32)cc1 ZINC000639518383 461966712 /nfs/dbraw/zinc/96/67/12/461966712.db2.gz GHLNFCBHZNZETE-CTNGQTDRSA-N 2 1 336.483 3.006 20 0 EGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000648158210 461992152 /nfs/dbraw/zinc/99/21/52/461992152.db2.gz KLSLWYFHQPCEFB-KRWDZBQOSA-N 2 1 331.847 3.349 20 0 EGADMP CC(C)([NH3+])CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000648167679 461995940 /nfs/dbraw/zinc/99/59/40/461995940.db2.gz LOLYFKNCWIQZMO-RBUKOAKNSA-N 2 1 343.515 3.017 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(Cc2ccccc2)CC1 ZINC000644603903 462006215 /nfs/dbraw/zinc/00/62/15/462006215.db2.gz UPXSBAUDHOXPDG-NRFANRHFSA-N 2 1 338.495 3.092 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(Cc2ccccc2)CC1 ZINC000644603903 462006220 /nfs/dbraw/zinc/00/62/20/462006220.db2.gz UPXSBAUDHOXPDG-NRFANRHFSA-N 2 1 338.495 3.092 20 0 EGADMP CCC(CC)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000644616672 462011627 /nfs/dbraw/zinc/01/16/27/462011627.db2.gz RVJQDMWSOZTXQP-HBMCJLEFSA-N 2 1 348.531 3.053 20 0 EGADMP CCC(CC)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000644616672 462011631 /nfs/dbraw/zinc/01/16/31/462011631.db2.gz RVJQDMWSOZTXQP-HBMCJLEFSA-N 2 1 348.531 3.053 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000657311068 462036446 /nfs/dbraw/zinc/03/64/46/462036446.db2.gz HJYDSXLLHXDVOJ-ZDUSSCGKSA-N 2 1 332.414 3.183 20 0 EGADMP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]2c2ccc(N(C)C)nn2)c(C)n1 ZINC000639678778 462054015 /nfs/dbraw/zinc/05/40/15/462054015.db2.gz NEJIOSALUIKOPM-GOSISDBHSA-N 2 1 325.460 3.200 20 0 EGADMP Cc1cc(C)c(CN2CCC[C@@H]2c2ccc(N(C)C)nn2)c(C)n1 ZINC000639678778 462054016 /nfs/dbraw/zinc/05/40/16/462054016.db2.gz NEJIOSALUIKOPM-GOSISDBHSA-N 2 1 325.460 3.200 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@H](C)COC)cc2)C[C@@H]1C ZINC000667664559 462197386 /nfs/dbraw/zinc/19/73/86/462197386.db2.gz NUPSWQGSNFIXDA-SCTDSRPQSA-N 2 1 334.504 3.405 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(O[C@H](C)COC)cc2)C[C@@H]1C ZINC000667664559 462197389 /nfs/dbraw/zinc/19/73/89/462197389.db2.gz NUPSWQGSNFIXDA-SCTDSRPQSA-N 2 1 334.504 3.405 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(O[C@H](C)COC)cc2)C[C@@H]1C ZINC000667664559 462197391 /nfs/dbraw/zinc/19/73/91/462197391.db2.gz NUPSWQGSNFIXDA-SCTDSRPQSA-N 2 1 334.504 3.405 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000667668595 462201891 /nfs/dbraw/zinc/20/18/91/462201891.db2.gz SJEIFOUCURTKAN-PKOBYXMFSA-N 2 1 334.504 3.407 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000667668595 462201896 /nfs/dbraw/zinc/20/18/96/462201896.db2.gz SJEIFOUCURTKAN-PKOBYXMFSA-N 2 1 334.504 3.407 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000667668595 462201901 /nfs/dbraw/zinc/20/19/01/462201901.db2.gz SJEIFOUCURTKAN-PKOBYXMFSA-N 2 1 334.504 3.407 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000667668595 462201906 /nfs/dbraw/zinc/20/19/06/462201906.db2.gz SJEIFOUCURTKAN-PKOBYXMFSA-N 2 1 334.504 3.407 20 0 EGADMP CC1([NH+]2CCCC2)CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639983393 462204765 /nfs/dbraw/zinc/20/47/65/462204765.db2.gz GOZHFCBMDZEKOO-FQEVSTJZSA-N 2 1 327.516 3.211 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667677389 462208904 /nfs/dbraw/zinc/20/89/04/462208904.db2.gz QOSUSMQRJJDJFW-AZUAARDMSA-N 2 1 332.488 3.018 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667677389 462208909 /nfs/dbraw/zinc/20/89/09/462208909.db2.gz QOSUSMQRJJDJFW-AZUAARDMSA-N 2 1 332.488 3.018 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667677389 462208913 /nfs/dbraw/zinc/20/89/13/462208913.db2.gz QOSUSMQRJJDJFW-AZUAARDMSA-N 2 1 332.488 3.018 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667677389 462208920 /nfs/dbraw/zinc/20/89/20/462208920.db2.gz QOSUSMQRJJDJFW-AZUAARDMSA-N 2 1 332.488 3.018 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000667681974 462211955 /nfs/dbraw/zinc/21/19/55/462211955.db2.gz WNLBEAIPMGRATF-XLIONFOSSA-N 2 1 346.515 3.264 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000667681974 462211959 /nfs/dbraw/zinc/21/19/59/462211959.db2.gz WNLBEAIPMGRATF-XLIONFOSSA-N 2 1 346.515 3.264 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000667681974 462211964 /nfs/dbraw/zinc/21/19/64/462211964.db2.gz WNLBEAIPMGRATF-XLIONFOSSA-N 2 1 346.515 3.264 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000667681974 462211968 /nfs/dbraw/zinc/21/19/68/462211968.db2.gz WNLBEAIPMGRATF-XLIONFOSSA-N 2 1 346.515 3.264 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[NH+]1CC(C)C1 ZINC000654526448 462268581 /nfs/dbraw/zinc/26/85/81/462268581.db2.gz KYGOEXBEGKNOAU-SJORKVTESA-N 2 1 329.488 3.340 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+]1CC(C)C1 ZINC000654526448 462268587 /nfs/dbraw/zinc/26/85/87/462268587.db2.gz KYGOEXBEGKNOAU-SJORKVTESA-N 2 1 329.488 3.340 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000648779083 462274744 /nfs/dbraw/zinc/27/47/44/462274744.db2.gz ZKRIFSPAPZOGQL-IAGOWNOFSA-N 2 1 342.487 3.033 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000648779083 462274751 /nfs/dbraw/zinc/27/47/51/462274751.db2.gz ZKRIFSPAPZOGQL-IAGOWNOFSA-N 2 1 342.487 3.033 20 0 EGADMP c1nc(C2CC2)oc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648823265 462293735 /nfs/dbraw/zinc/29/37/35/462293735.db2.gz BEZOYRCGPIVNOD-UHFFFAOYSA-N 2 1 341.455 3.316 20 0 EGADMP C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000651678656 462299994 /nfs/dbraw/zinc/29/99/94/462299994.db2.gz YEBKHRLYCUDPMW-XLIONFOSSA-N 2 1 343.515 3.133 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc2ccncc2s1 ZINC000657878359 462306113 /nfs/dbraw/zinc/30/61/13/462306113.db2.gz GYFOKKIWNITYLA-GDBMZVCRSA-N 2 1 333.501 3.184 20 0 EGADMP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000657969339 462332045 /nfs/dbraw/zinc/33/20/45/462332045.db2.gz NDXXRCXXFASHEA-ZRNYENFQSA-N 2 1 328.500 3.168 20 0 EGADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000665246510 462367804 /nfs/dbraw/zinc/36/78/04/462367804.db2.gz HCXYGNVEOSGAPX-IBGZPJMESA-N 2 1 325.456 3.235 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000658092973 462380097 /nfs/dbraw/zinc/38/00/97/462380097.db2.gz SOVIMQTYJRLPPY-YZGWKJHDSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092973 462380098 /nfs/dbraw/zinc/38/00/98/462380098.db2.gz SOVIMQTYJRLPPY-YZGWKJHDSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092973 462380101 /nfs/dbraw/zinc/38/01/01/462380101.db2.gz SOVIMQTYJRLPPY-YZGWKJHDSA-N 2 1 329.532 3.359 20 0 EGADMP CCn1cc(C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C(C)C)cn1 ZINC000651959543 462393831 /nfs/dbraw/zinc/39/38/31/462393831.db2.gz QTRJAQMMQLLCOU-UHFFFAOYSA-N 2 1 344.503 3.254 20 0 EGADMP CN(C)C(=O)c1cccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000640532409 462431505 /nfs/dbraw/zinc/43/15/05/462431505.db2.gz ZUAQMXYMTPNGIS-UHFFFAOYSA-N 2 1 331.504 3.086 20 0 EGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652141003 462446903 /nfs/dbraw/zinc/44/69/03/462446903.db2.gz CCXKGOOEPXSYSK-GDBMZVCRSA-N 2 1 336.476 3.095 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000649306165 462474053 /nfs/dbraw/zinc/47/40/53/462474053.db2.gz DKSRBXPDXHJIKI-SFHVURJKSA-N 2 1 345.874 3.108 20 0 EGADMP [NH3+]C1(CC(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CCC1 ZINC000645961318 462478985 /nfs/dbraw/zinc/47/89/85/462478985.db2.gz MRPLKKZHRYYWDB-KRWDZBQOSA-N 2 1 349.906 3.082 20 0 EGADMP CC(C)(C)C1CCC(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)CC1 ZINC000641073942 462539823 /nfs/dbraw/zinc/53/98/23/462539823.db2.gz XJZARLNWDLIGHY-UHFFFAOYSA-N 2 1 347.551 3.096 20 0 EGADMP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000165997927 527718907 /nfs/dbraw/zinc/71/89/07/527718907.db2.gz WULYBKUZSWBNJV-JXFKEZNVSA-N 3 1 344.503 3.188 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(Br)c2)[C@H](C)C1 ZINC000174628527 527803281 /nfs/dbraw/zinc/80/32/81/527803281.db2.gz PSLQCVTUVLIUNZ-IUODEOHRSA-N 2 1 341.293 3.278 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(Br)c2)[C@H](C)C1 ZINC000174628527 527803286 /nfs/dbraw/zinc/80/32/86/527803286.db2.gz PSLQCVTUVLIUNZ-IUODEOHRSA-N 2 1 341.293 3.278 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000154525572 529143634 /nfs/dbraw/zinc/14/36/34/529143634.db2.gz NNTPMAZYCIGFAT-NRFANRHFSA-N 2 1 329.532 3.461 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000353470961 535925729 /nfs/dbraw/zinc/92/57/29/535925729.db2.gz QZUPTBVAVLXDBG-SNRMKQJTSA-N 2 1 329.488 3.245 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C(=O)N1CCCC1 ZINC000089723211 546647489 /nfs/dbraw/zinc/64/74/89/546647489.db2.gz YUFNMIOUHCOCPX-IHPCNDPISA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]1CC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000090965376 546661674 /nfs/dbraw/zinc/66/16/74/546661674.db2.gz FFMRJRBYOOURBK-HOTGVXAUSA-N 2 1 334.479 3.378 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000161624741 546957614 /nfs/dbraw/zinc/95/76/14/546957614.db2.gz SKGMMYZABYTRRF-MRXNPFEDSA-N 2 1 329.488 3.338 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000248166066 547296481 /nfs/dbraw/zinc/29/64/81/547296481.db2.gz SZTPRZXVLIYSJT-YOEHRIQHSA-N 2 1 338.492 3.189 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000339072146 547567635 /nfs/dbraw/zinc/56/76/35/547567635.db2.gz UADYQNWUQYVLLY-KYNGSXCRSA-N 2 1 327.472 3.313 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339072814 547567838 /nfs/dbraw/zinc/56/78/38/547567838.db2.gz XZBHJQIAXCMBEK-PMACEKPBSA-N 2 1 345.531 3.124 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339072814 547567843 /nfs/dbraw/zinc/56/78/43/547567843.db2.gz XZBHJQIAXCMBEK-PMACEKPBSA-N 3 1 345.531 3.124 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339072814 547567848 /nfs/dbraw/zinc/56/78/48/547567848.db2.gz XZBHJQIAXCMBEK-PMACEKPBSA-N 3 1 345.531 3.124 20 0 EGADMP c1cc(N2CCCCCC2)ncc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339066703 547568418 /nfs/dbraw/zinc/56/84/18/547568418.db2.gz DKRMHDUQRNARCD-MOPGFXCFSA-N 2 1 328.504 3.178 20 0 EGADMP c1cc(N2CCCCCC2)ncc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339066703 547568423 /nfs/dbraw/zinc/56/84/23/547568423.db2.gz DKRMHDUQRNARCD-MOPGFXCFSA-N 2 1 328.504 3.178 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000339250081 547573292 /nfs/dbraw/zinc/57/32/92/547573292.db2.gz VRZZVISGNPJCDL-AZUAARDMSA-N 2 1 343.515 3.204 20 0 EGADMP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370737382 547791043 /nfs/dbraw/zinc/79/10/43/547791043.db2.gz IEDFQMHLAOCPJA-UONOGXRCSA-N 2 1 332.398 3.071 20 0 EGADMP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370737382 547791046 /nfs/dbraw/zinc/79/10/46/547791046.db2.gz IEDFQMHLAOCPJA-UONOGXRCSA-N 2 1 332.398 3.071 20 0 EGADMP CCc1nn(C)cc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000386505687 547823802 /nfs/dbraw/zinc/82/38/02/547823802.db2.gz ZQTLCHMDOHBZJV-IBGZPJMESA-N 2 1 340.515 3.374 20 0 EGADMP CCc1nn(C)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000386505687 547823805 /nfs/dbraw/zinc/82/38/05/547823805.db2.gz ZQTLCHMDOHBZJV-IBGZPJMESA-N 2 1 340.515 3.374 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000390529165 547827639 /nfs/dbraw/zinc/82/76/39/547827639.db2.gz KTWZJOFGZDNOJK-XRXFAXGQSA-N 2 1 327.516 3.161 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000390529165 547827644 /nfs/dbraw/zinc/82/76/44/547827644.db2.gz KTWZJOFGZDNOJK-XRXFAXGQSA-N 2 1 327.516 3.161 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N(C)C)nc1 ZINC000675743440 548972700 /nfs/dbraw/zinc/97/27/00/548972700.db2.gz KCNSXPPWWOPYNF-YLJYHZDGSA-N 2 1 338.499 3.148 20 0 EGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000675897994 549000211 /nfs/dbraw/zinc/00/02/11/549000211.db2.gz CBRBITFYOOUYKF-FGZHOGPDSA-N 2 1 336.479 3.209 20 0 EGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000675897994 549000214 /nfs/dbraw/zinc/00/02/14/549000214.db2.gz CBRBITFYOOUYKF-FGZHOGPDSA-N 2 1 336.479 3.209 20 0 EGADMP C[C@@H]([NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000675937222 549007096 /nfs/dbraw/zinc/00/70/96/549007096.db2.gz UAALHJXJFLLDCJ-GUDVDZBRSA-N 2 1 343.559 3.463 20 0 EGADMP COc1ccc(COCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000676712497 549133660 /nfs/dbraw/zinc/13/36/60/549133660.db2.gz JPTLXJGSFLZXCG-GHTZIAJQSA-N 2 1 344.499 3.161 20 0 EGADMP COc1ccc(COCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000676712497 549133662 /nfs/dbraw/zinc/13/36/62/549133662.db2.gz JPTLXJGSFLZXCG-GHTZIAJQSA-N 2 1 344.499 3.161 20 0 EGADMP COc1ccc(COCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000676712497 549133665 /nfs/dbraw/zinc/13/36/65/549133665.db2.gz JPTLXJGSFLZXCG-GHTZIAJQSA-N 2 1 344.499 3.161 20 0 EGADMP COc1cc(C)[nH+]c(CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000677441344 549272160 /nfs/dbraw/zinc/27/21/60/549272160.db2.gz OMHDVTCVIBWWFM-IBGZPJMESA-N 2 1 325.456 3.105 20 0 EGADMP COc1cc(C)[nH+]c(CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000677441344 549272162 /nfs/dbraw/zinc/27/21/62/549272162.db2.gz OMHDVTCVIBWWFM-IBGZPJMESA-N 2 1 325.456 3.105 20 0 EGADMP CC1(C)C[C@@H](NC[C@H]2CC[NH+](C3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000677748419 549325219 /nfs/dbraw/zinc/32/52/19/549325219.db2.gz LPWXMXJKYPDGIJ-RTBURBONSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000677748419 549325222 /nfs/dbraw/zinc/32/52/22/549325222.db2.gz LPWXMXJKYPDGIJ-RTBURBONSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000677748419 549325225 /nfs/dbraw/zinc/32/52/25/549325225.db2.gz LPWXMXJKYPDGIJ-RTBURBONSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CN1Cc1ccccc1 ZINC000677748419 549325227 /nfs/dbraw/zinc/32/52/27/549325227.db2.gz LPWXMXJKYPDGIJ-RTBURBONSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CN1Cc1ccccc1 ZINC000677748419 549325228 /nfs/dbraw/zinc/32/52/28/549325228.db2.gz LPWXMXJKYPDGIJ-RTBURBONSA-N 2 1 327.516 3.113 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000678131595 549405360 /nfs/dbraw/zinc/40/53/60/549405360.db2.gz IXBPXRGEXWECEO-UHFFFAOYSA-N 2 1 342.487 3.390 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000678131595 549405365 /nfs/dbraw/zinc/40/53/65/549405365.db2.gz IXBPXRGEXWECEO-UHFFFAOYSA-N 2 1 342.487 3.390 20 0 EGADMP CC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[C@H]1CCOC1 ZINC000678152126 549411840 /nfs/dbraw/zinc/41/18/40/549411840.db2.gz XIMZANNQJFOGKV-GOSISDBHSA-N 2 1 345.531 3.075 20 0 EGADMP Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(OCC[NH+](C)C)cc2)on1 ZINC000678183267 549420253 /nfs/dbraw/zinc/42/02/53/549420253.db2.gz SJVIXVPIHABSRJ-GOSISDBHSA-N 2 1 329.444 3.261 20 0 EGADMP CN(c1ccccc1C[N@@H+](CCO)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000678239894 549439022 /nfs/dbraw/zinc/43/90/22/549439022.db2.gz BMHQSNNBWKVDTF-UHFFFAOYSA-N 2 1 347.547 3.057 20 0 EGADMP C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678271595 549453103 /nfs/dbraw/zinc/45/31/03/549453103.db2.gz YPVJGEVOORFXNT-SJORKVTESA-N 2 1 334.529 3.487 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCS1 ZINC000678270768 549453460 /nfs/dbraw/zinc/45/34/60/549453460.db2.gz JVJOQYDAHKCHJA-UHFFFAOYSA-N 2 1 334.529 3.489 20 0 EGADMP Clc1ccc2c(c1)nccc2SCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000679312119 549685990 /nfs/dbraw/zinc/68/59/90/549685990.db2.gz QBMDKSWMQDRYFH-BETUJISGSA-N 2 1 333.888 3.132 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000685438145 550416200 /nfs/dbraw/zinc/41/62/00/550416200.db2.gz QTNMDELSYGZFKC-IBGZPJMESA-N 2 1 328.460 3.077 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000685438145 550416204 /nfs/dbraw/zinc/41/62/04/550416204.db2.gz QTNMDELSYGZFKC-IBGZPJMESA-N 2 1 328.460 3.077 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CN[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)C1 ZINC000685455676 550418343 /nfs/dbraw/zinc/41/83/43/550418343.db2.gz HSCKSPWALXPVDV-YUMYIRISSA-N 2 1 341.543 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000685455676 550418346 /nfs/dbraw/zinc/41/83/46/550418346.db2.gz HSCKSPWALXPVDV-YUMYIRISSA-N 2 1 341.543 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000685455676 550418348 /nfs/dbraw/zinc/41/83/48/550418348.db2.gz HSCKSPWALXPVDV-YUMYIRISSA-N 2 1 341.543 3.217 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)C1 ZINC000685455676 550418349 /nfs/dbraw/zinc/41/83/49/550418349.db2.gz HSCKSPWALXPVDV-YUMYIRISSA-N 3 1 341.543 3.217 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)C1 ZINC000685455676 550418351 /nfs/dbraw/zinc/41/83/51/550418351.db2.gz HSCKSPWALXPVDV-YUMYIRISSA-N 3 1 341.543 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000685455676 550418353 /nfs/dbraw/zinc/41/83/53/550418353.db2.gz HSCKSPWALXPVDV-YUMYIRISSA-N 3 1 341.543 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000685455676 550418356 /nfs/dbraw/zinc/41/83/56/550418356.db2.gz HSCKSPWALXPVDV-YUMYIRISSA-N 3 1 341.543 3.217 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cscc1Cl ZINC000685455873 550418434 /nfs/dbraw/zinc/41/84/34/550418434.db2.gz AFJSFPBAVDMOJB-HNNXBMFYSA-N 2 1 329.941 3.249 20 0 EGADMP C[C@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000685457272 550418888 /nfs/dbraw/zinc/41/88/88/550418888.db2.gz RJIPGDOUGDNDTQ-OXQOHEQNSA-N 2 1 333.495 3.030 20 0 EGADMP CC[C@@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457574 550419299 /nfs/dbraw/zinc/41/92/99/550419299.db2.gz FGNCGRMMCMDTHX-RXVVDRJESA-N 2 1 329.532 3.281 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470397 550421183 /nfs/dbraw/zinc/42/11/83/550421183.db2.gz LJCVQAGQYJHYBI-HNAYVOBHSA-N 2 1 346.906 3.357 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470425 550421338 /nfs/dbraw/zinc/42/13/38/550421338.db2.gz QDNWFEIAIFIMOU-CJNGLKHVSA-N 2 1 338.879 3.273 20 0 EGADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CCC(CO)CC1 ZINC000685468262 550421457 /nfs/dbraw/zinc/42/14/57/550421457.db2.gz FSLOEFYASVSHTM-UHFFFAOYSA-N 2 1 346.515 3.144 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C(C)(C)n1cncn1 ZINC000685648167 550435807 /nfs/dbraw/zinc/43/58/07/550435807.db2.gz WKOWUHBWAJGHHD-ZOBUZTSGSA-N 2 1 347.532 3.136 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C(C)(C)n1cncn1 ZINC000685648167 550435810 /nfs/dbraw/zinc/43/58/10/550435810.db2.gz WKOWUHBWAJGHHD-ZOBUZTSGSA-N 2 1 347.532 3.136 20 0 EGADMP CCC[C@@H](C)[N@H+]1Cc2ccc(NC(=S)NCC[NH+](C)C)cc2C1 ZINC000726496079 574559960 /nfs/dbraw/zinc/55/99/60/574559960.db2.gz SWVBHEFAQGKVOL-CQSZACIVSA-N 2 1 334.533 3.039 20 0 EGADMP CC[C@H](C)c1ccc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000727932084 574704895 /nfs/dbraw/zinc/70/48/95/574704895.db2.gz SGFJPWVPYWCBHQ-INIZCTEOSA-N 2 1 331.504 3.412 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000732275756 575252869 /nfs/dbraw/zinc/25/28/69/575252869.db2.gz AWZDINDHPKKHMX-ICSRJNTNSA-N 2 1 345.531 3.450 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000732275756 575252871 /nfs/dbraw/zinc/25/28/71/575252871.db2.gz AWZDINDHPKKHMX-ICSRJNTNSA-N 2 1 345.531 3.450 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000732275756 575252873 /nfs/dbraw/zinc/25/28/73/575252873.db2.gz AWZDINDHPKKHMX-ICSRJNTNSA-N 2 1 345.531 3.450 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000741796695 575438708 /nfs/dbraw/zinc/43/87/08/575438708.db2.gz WSCPPIKUCZEUKA-BBWFWOEESA-N 2 1 339.524 3.048 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000741796695 575438713 /nfs/dbraw/zinc/43/87/13/575438713.db2.gz WSCPPIKUCZEUKA-BBWFWOEESA-N 2 1 339.524 3.048 20 0 EGADMP CC(C)Cc1ccc([C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C2CC2)cc1 ZINC000685571635 576192725 /nfs/dbraw/zinc/19/27/25/576192725.db2.gz LPTQHKDRNZAMJS-LEWJYISDSA-N 2 1 330.516 3.381 20 0 EGADMP CC(C)Cc1ccc([C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C2CC2)cc1 ZINC000685571635 576192726 /nfs/dbraw/zinc/19/27/26/576192726.db2.gz LPTQHKDRNZAMJS-LEWJYISDSA-N 2 1 330.516 3.381 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000383335803 576253972 /nfs/dbraw/zinc/25/39/72/576253972.db2.gz IOXBLZYHQGNBNB-QFBILLFUSA-N 2 1 326.488 3.291 20 0 EGADMP C[N@@H+](CCCOCc1ccccc1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000687951433 1298121192 /nfs/dbraw/zinc/12/11/92/1298121192.db2.gz PZMTUABQAXLPSG-UHFFFAOYSA-N 2 1 330.497 3.433 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=S)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000044132812 1291475245 /nfs/dbraw/zinc/47/52/45/1291475245.db2.gz IIABKWALDNSHBL-SFHVURJKSA-N 2 1 346.544 3.053 20 0 EGADMP CCOc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)cc(Cl)c1OC ZINC000060816799 1291943994 /nfs/dbraw/zinc/94/39/94/1291943994.db2.gz NLUZQVZNDDGBID-UHFFFAOYSA-N 2 1 328.884 3.425 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000067222803 1292155064 /nfs/dbraw/zinc/15/50/64/1292155064.db2.gz PYYFOIMHXOAQCJ-FQEVSTJZSA-N 2 1 340.515 3.370 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000067222803 1292155071 /nfs/dbraw/zinc/15/50/71/1292155071.db2.gz PYYFOIMHXOAQCJ-FQEVSTJZSA-N 2 1 340.515 3.370 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccccc3F)c2)CCO1 ZINC000067976708 1292179827 /nfs/dbraw/zinc/17/98/27/1292179827.db2.gz HKKVJYFEBXFIFU-MRXNPFEDSA-N 2 1 328.431 3.336 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccccc3F)c2)CCO1 ZINC000067976708 1292179833 /nfs/dbraw/zinc/17/98/33/1292179833.db2.gz HKKVJYFEBXFIFU-MRXNPFEDSA-N 2 1 328.431 3.336 20 0 EGADMP Fc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1Cl ZINC000076762652 1292441179 /nfs/dbraw/zinc/44/11/79/1292441179.db2.gz CHWQUVCUZFWRAL-AWEZNQCLSA-N 2 1 326.843 3.070 20 0 EGADMP CCCOc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000076762617 1292441444 /nfs/dbraw/zinc/44/14/44/1292441444.db2.gz MWERRNMCGDDPGW-GOSISDBHSA-N 2 1 332.488 3.066 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC(F)F ZINC000105443713 1293038008 /nfs/dbraw/zinc/03/80/08/1293038008.db2.gz GOSRUDVGGSSZDD-GFCCVEGCSA-N 2 1 339.386 3.227 20 0 EGADMP CC(=O)N1CCC([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000109068320 1293086779 /nfs/dbraw/zinc/08/67/79/1293086779.db2.gz ATMORPCHHQKTCT-KRWDZBQOSA-N 2 1 343.515 3.162 20 0 EGADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000112709799 1293131936 /nfs/dbraw/zinc/13/19/36/1293131936.db2.gz QSPRUYXCFJEGND-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP C[NH+](C)CC[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)C(C)(C)C ZINC000116379441 1293204836 /nfs/dbraw/zinc/20/48/36/1293204836.db2.gz RNUPCDUQEUADHA-IBGZPJMESA-N 2 1 328.504 3.387 20 0 EGADMP CC[C@@H]1CC(=O)N(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000125492412 1293508761 /nfs/dbraw/zinc/50/87/61/1293508761.db2.gz YRVICSAJDWRKIZ-ZWKOTPCHSA-N 2 1 335.536 3.179 20 0 EGADMP CC[C@@H]1CC(=O)N(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000125492412 1293508766 /nfs/dbraw/zinc/50/87/66/1293508766.db2.gz YRVICSAJDWRKIZ-ZWKOTPCHSA-N 2 1 335.536 3.179 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1([NH+](C)C)CCC1 ZINC000158735047 1294213802 /nfs/dbraw/zinc/21/38/02/1294213802.db2.gz IFOYCOKJAHRACK-QGZVFWFLSA-N 2 1 343.515 3.162 20 0 EGADMP Cc1nn(C)cc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000160186722 1294261229 /nfs/dbraw/zinc/26/12/29/1294261229.db2.gz XYRSQHLYKWRYLP-CALCHBBNSA-N 2 1 340.515 3.496 20 0 EGADMP C[C@H](CC[NH3+])[NH2+]Cc1cc(Br)ccc1Br ZINC000164518208 1294348680 /nfs/dbraw/zinc/34/86/80/1294348680.db2.gz NBRQPTFXBSRRSZ-MRVPVSSYSA-N 2 1 336.071 3.039 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCCC[C@@H]3[NH3+])cc2)C1 ZINC000164601059 1294351311 /nfs/dbraw/zinc/35/13/11/1294351311.db2.gz WZHNAWYIMLMYDL-AHRSYUTCSA-N 2 1 343.515 3.052 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)C[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000165884844 1294359536 /nfs/dbraw/zinc/35/95/36/1294359536.db2.gz AJGZQHFEIIZBSK-IBGZPJMESA-N 2 1 343.515 3.209 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)nc1 ZINC000181401000 1294965989 /nfs/dbraw/zinc/96/59/89/1294965989.db2.gz DAZMZEUSIFWSKV-ZNMIVQPWSA-N 2 1 325.884 3.275 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1F ZINC000237412916 1296241830 /nfs/dbraw/zinc/24/18/30/1296241830.db2.gz OAKUNBMSBQAQTB-IBGZPJMESA-N 2 1 342.458 3.489 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCCCC[NH3+])cc1 ZINC000237683948 1296258343 /nfs/dbraw/zinc/25/83/43/1296258343.db2.gz IESKHIFHKHLFTH-QGZVFWFLSA-N 2 1 331.504 3.196 20 0 EGADMP O[C@@H](C[NH2+]Cc1ccc(-c2cccc(F)c2)s1)C[NH+]1CCCC1 ZINC000238066008 1296277628 /nfs/dbraw/zinc/27/76/28/1296277628.db2.gz OCGGQAWDDKXESU-INIZCTEOSA-N 2 1 334.460 3.101 20 0 EGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000247560736 1296397194 /nfs/dbraw/zinc/39/71/94/1296397194.db2.gz QSYXDZLRZPPECC-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000247560736 1296397206 /nfs/dbraw/zinc/39/72/06/1296397206.db2.gz QSYXDZLRZPPECC-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000247560736 1296397218 /nfs/dbraw/zinc/39/72/18/1296397218.db2.gz QSYXDZLRZPPECC-DLBZAZTESA-N 2 1 339.524 3.050 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261547215 1296593418 /nfs/dbraw/zinc/59/34/18/1296593418.db2.gz HRTUXZSMUWXCBV-HLAWJBBLSA-N 2 1 329.532 3.409 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261547215 1296593427 /nfs/dbraw/zinc/59/34/27/1296593427.db2.gz HRTUXZSMUWXCBV-HLAWJBBLSA-N 3 1 329.532 3.409 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261547215 1296593438 /nfs/dbraw/zinc/59/34/38/1296593438.db2.gz HRTUXZSMUWXCBV-HLAWJBBLSA-N 3 1 329.532 3.409 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261679622 1296598118 /nfs/dbraw/zinc/59/81/18/1296598118.db2.gz AFGFSAOPRPIUCT-UHFFFAOYSA-N 2 1 337.467 3.333 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCCc3cc(OC)c(OC)cc32)C1 ZINC000872025256 1296668337 /nfs/dbraw/zinc/66/83/37/1296668337.db2.gz JEXRTODXQZWVDX-QAPCUYQASA-N 2 1 332.488 3.403 20 0 EGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000305197368 1296994303 /nfs/dbraw/zinc/99/43/03/1296994303.db2.gz ZNLMCIMYTDQPJN-LSDHHAIUSA-N 2 1 328.909 3.259 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000305768493 1297046784 /nfs/dbraw/zinc/04/67/84/1297046784.db2.gz KUWBPPBHHZTTQM-VBNZEHGJSA-N 2 1 330.394 3.059 20 0 EGADMP CO[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308387361 1297069034 /nfs/dbraw/zinc/06/90/34/1297069034.db2.gz FTDZCBPMJWSEKQ-XUVXKRRUSA-N 2 1 328.500 3.446 20 0 EGADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000310917507 1297103562 /nfs/dbraw/zinc/10/35/62/1297103562.db2.gz QPAQQGWEUZEPJJ-LEWJYISDSA-N 2 1 340.515 3.410 20 0 EGADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000326806537 1297241898 /nfs/dbraw/zinc/24/18/98/1297241898.db2.gz CKGFDNKBBRCMTE-DARKYYSBSA-N 2 1 328.500 3.412 20 0 EGADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000326806537 1297241902 /nfs/dbraw/zinc/24/19/02/1297241902.db2.gz CKGFDNKBBRCMTE-DARKYYSBSA-N 2 1 328.500 3.412 20 0 EGADMP CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccc(OC)c(OC)c1 ZINC000873200344 1297346125 /nfs/dbraw/zinc/34/61/25/1297346125.db2.gz DWZNIYKYZBIJMP-UHFFFAOYSA-N 2 1 346.496 3.433 20 0 EGADMP c1c(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000873209575 1297353987 /nfs/dbraw/zinc/35/39/87/1297353987.db2.gz OYAGRNCHLNCZAD-SFHVURJKSA-N 2 1 342.508 3.227 20 0 EGADMP c1c(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000873209575 1297353999 /nfs/dbraw/zinc/35/39/99/1297353999.db2.gz OYAGRNCHLNCZAD-SFHVURJKSA-N 2 1 342.508 3.227 20 0 EGADMP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Br)c1 ZINC000873273980 1297404993 /nfs/dbraw/zinc/40/49/93/1297404993.db2.gz QCRKYOMIIAMVBL-QXULXFAOSA-N 2 1 339.277 3.009 20 0 EGADMP C[C@H]([NH2+]Cc1cc(N)cc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873288816 1297410691 /nfs/dbraw/zinc/41/06/91/1297410691.db2.gz MALHFPZEFGDZBU-MAUKXSAKSA-N 2 1 327.447 3.408 20 0 EGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000379878585 1297542300 /nfs/dbraw/zinc/54/23/00/1297542300.db2.gz TVRULGBXICOCAE-UZLBHIALSA-N 2 1 326.488 3.291 20 0 EGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000379878585 1297542311 /nfs/dbraw/zinc/54/23/11/1297542311.db2.gz TVRULGBXICOCAE-UZLBHIALSA-N 2 1 326.488 3.291 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695203136 1298159007 /nfs/dbraw/zinc/15/90/07/1298159007.db2.gz FKLSIQXZSYNSGE-INIZCTEOSA-N 2 1 341.540 3.344 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695203136 1298159011 /nfs/dbraw/zinc/15/90/11/1298159011.db2.gz FKLSIQXZSYNSGE-INIZCTEOSA-N 2 1 341.540 3.344 20 0 EGADMP COc1cncc(CNC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000700062432 1298174925 /nfs/dbraw/zinc/17/49/25/1298174925.db2.gz ZBNSODSVXHWPFR-FQEVSTJZSA-N 2 1 325.456 3.092 20 0 EGADMP COc1cncc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000700062432 1298174936 /nfs/dbraw/zinc/17/49/36/1298174936.db2.gz ZBNSODSVXHWPFR-FQEVSTJZSA-N 2 1 325.456 3.092 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700804793 1298180207 /nfs/dbraw/zinc/18/02/07/1298180207.db2.gz RFQSSEQEKHUTBR-IAGOWNOFSA-N 2 1 341.540 3.391 20 0 EGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724051161 1298346772 /nfs/dbraw/zinc/34/67/72/1298346772.db2.gz ZYBSSFVHSSLIKG-CVEARBPZSA-N 2 1 327.513 3.001 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724051161 1298346784 /nfs/dbraw/zinc/34/67/84/1298346784.db2.gz ZYBSSFVHSSLIKG-CVEARBPZSA-N 2 1 327.513 3.001 20 0 EGADMP C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000857192224 1328524442 /nfs/dbraw/zinc/52/44/42/1328524442.db2.gz FCVAICOPVSNXOZ-VQTJNVASSA-N 2 1 343.515 3.052 20 0 EGADMP c1ccc([C@H]2C[C@@H](NCC[NH+]3CCCCC3)CC[N@H+]2C2CC2)cc1 ZINC000877145584 1299181026 /nfs/dbraw/zinc/18/10/26/1299181026.db2.gz MCYOZVPENMIMSP-PZJWPPBQSA-N 2 1 327.516 3.430 20 0 EGADMP Cc1c(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)sc2nc(C)nc(C)c12 ZINC000877744653 1299523730 /nfs/dbraw/zinc/52/37/30/1299523730.db2.gz WJRLZVLWNBKZJB-HUUCEWRRSA-N 2 1 330.501 3.143 20 0 EGADMP Cc1c(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)sc2nc(C)nc(C)c12 ZINC000877744653 1299523734 /nfs/dbraw/zinc/52/37/34/1299523734.db2.gz WJRLZVLWNBKZJB-HUUCEWRRSA-N 2 1 330.501 3.143 20 0 EGADMP Cc1c(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)sc2nc(C)nc(C)c12 ZINC000877744653 1299523738 /nfs/dbraw/zinc/52/37/38/1299523738.db2.gz WJRLZVLWNBKZJB-HUUCEWRRSA-N 2 1 330.501 3.143 20 0 EGADMP Cc1c(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)sc2nc(C)nc(C)c12 ZINC000877744653 1299523744 /nfs/dbraw/zinc/52/37/44/1299523744.db2.gz WJRLZVLWNBKZJB-HUUCEWRRSA-N 2 1 330.501 3.143 20 0 EGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000878197276 1299813042 /nfs/dbraw/zinc/81/30/42/1299813042.db2.gz MNGUJNHOGLTYQM-RLLQIKCJSA-N 2 1 343.515 3.153 20 0 EGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000878197276 1299813052 /nfs/dbraw/zinc/81/30/52/1299813052.db2.gz MNGUJNHOGLTYQM-RLLQIKCJSA-N 2 1 343.515 3.153 20 0 EGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000878197276 1299813065 /nfs/dbraw/zinc/81/30/65/1299813065.db2.gz MNGUJNHOGLTYQM-RLLQIKCJSA-N 2 1 343.515 3.153 20 0 EGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000878197276 1299813075 /nfs/dbraw/zinc/81/30/75/1299813075.db2.gz MNGUJNHOGLTYQM-RLLQIKCJSA-N 2 1 343.515 3.153 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H]1CCC[C@H](c3ccccc3)O1)CCO2 ZINC000878769265 1300183554 /nfs/dbraw/zinc/18/35/54/1300183554.db2.gz NQJUPSMIQJNOEF-WOJBJXKFSA-N 2 1 344.499 3.093 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H](O)c1c(F)cccc1F ZINC000880517020 1301145969 /nfs/dbraw/zinc/14/59/69/1301145969.db2.gz IFCCHJQHXIQJRN-KRWDZBQOSA-N 2 1 326.431 3.196 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2N2CCCCC2)CCCO1 ZINC000762485054 1301688635 /nfs/dbraw/zinc/68/86/35/1301688635.db2.gz YDFYQHMJVZLLOT-LJQANCHMSA-N 2 1 345.531 3.267 20 0 EGADMP C[C@@H](CC[NH2+]Cc1ccc2oc(=O)oc2c1)[N@H+](C)Cc1ccccc1 ZINC000883026912 1302211187 /nfs/dbraw/zinc/21/11/87/1302211187.db2.gz JKUQAOGVDYPJDE-HNNXBMFYSA-N 2 1 340.423 3.386 20 0 EGADMP C[C@@H](CC[NH2+]Cc1ccc2oc(=O)oc2c1)[N@@H+](C)Cc1ccccc1 ZINC000883026912 1302211192 /nfs/dbraw/zinc/21/11/92/1302211192.db2.gz JKUQAOGVDYPJDE-HNNXBMFYSA-N 2 1 340.423 3.386 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nccc3ccccc32)[C@@H](C)C1 ZINC000765404760 1302261293 /nfs/dbraw/zinc/26/12/93/1302261293.db2.gz MSXCCPYPUVTACW-FXAWDEMLSA-N 2 1 341.499 3.461 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nccc3ccccc32)[C@@H](C)C1 ZINC000765404760 1302261304 /nfs/dbraw/zinc/26/13/04/1302261304.db2.gz MSXCCPYPUVTACW-FXAWDEMLSA-N 2 1 341.499 3.461 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000766248583 1302416484 /nfs/dbraw/zinc/41/64/84/1302416484.db2.gz KMIMLVPXWWTGDW-LJQANCHMSA-N 2 1 341.480 3.489 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000766248583 1302416485 /nfs/dbraw/zinc/41/64/85/1302416485.db2.gz KMIMLVPXWWTGDW-LJQANCHMSA-N 2 1 341.480 3.489 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC3(CCOCC3)Oc3ccccc32)[C@@H](C)C1 ZINC000883383705 1302424817 /nfs/dbraw/zinc/42/48/17/1302424817.db2.gz DSWVWIPOUIYYCI-WDSOQIARSA-N 2 1 344.499 3.379 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC3(CCOCC3)Oc3ccccc32)[C@@H](C)C1 ZINC000883383705 1302424821 /nfs/dbraw/zinc/42/48/21/1302424821.db2.gz DSWVWIPOUIYYCI-WDSOQIARSA-N 2 1 344.499 3.379 20 0 EGADMP COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000768783399 1302977386 /nfs/dbraw/zinc/97/73/86/1302977386.db2.gz SIUHBVITQBSAEV-UHFFFAOYSA-N 2 1 326.440 3.167 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CC1([NH+](C)C)CCCC1)NC(=O)OC(C)(C)C ZINC000769676232 1303156094 /nfs/dbraw/zinc/15/60/94/1303156094.db2.gz AIIFJNBZVFRZSY-HUUCEWRRSA-N 2 1 327.513 3.142 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CC[N@H+](C)C1CCCC1)NC(=O)OC(C)(C)C ZINC000769688283 1303159000 /nfs/dbraw/zinc/15/90/00/1303159000.db2.gz OXHDEMKRVUUUMU-GJZGRUSLSA-N 2 1 327.513 3.142 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CC[N@@H+](C)C1CCCC1)NC(=O)OC(C)(C)C ZINC000769688283 1303159005 /nfs/dbraw/zinc/15/90/05/1303159005.db2.gz OXHDEMKRVUUUMU-GJZGRUSLSA-N 2 1 327.513 3.142 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)N(C)c3ccccc3)CC2)[nH+]c1C ZINC000886670349 1303548687 /nfs/dbraw/zinc/54/86/87/1303548687.db2.gz NESOFPNXOCQILL-MRXNPFEDSA-N 2 1 340.471 3.257 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)N(C)C3CCCCC3)CC2)[nH+]c1C ZINC000886669831 1303549015 /nfs/dbraw/zinc/54/90/15/1303549015.db2.gz FPMNZSRLSLNPAF-MRXNPFEDSA-N 2 1 346.519 3.386 20 0 EGADMP CCC1([NH+]2CCC2)CC[NH+](CCC(=O)Nc2ccccc2C)CC1 ZINC000886714664 1303576299 /nfs/dbraw/zinc/57/62/99/1303576299.db2.gz QDPMVGYFLWLWFQ-UHFFFAOYSA-N 2 1 329.488 3.274 20 0 EGADMP C[NH+](C)C1CCN(c2ccc(Nc3[nH+]cnc4[nH]ccc43)cc2)CC1 ZINC000774712944 1303852308 /nfs/dbraw/zinc/85/23/08/1303852308.db2.gz MJDUYAXVDVLXDO-UHFFFAOYSA-N 2 1 336.443 3.232 20 0 EGADMP C[N@@H+](CCC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)Cc1ccccc1 ZINC000775367078 1303947245 /nfs/dbraw/zinc/94/72/45/1303947245.db2.gz VUVMKAZUSDLENF-KURKYZTESA-N 2 1 336.570 3.478 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H](O)c1c(F)cccc1F ZINC000775411448 1303960980 /nfs/dbraw/zinc/96/09/80/1303960980.db2.gz FJPJLPMFCBIPFO-PKOBYXMFSA-N 2 1 338.442 3.241 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc3ccccc3[nH]2)CC1 ZINC000775622866 1303996602 /nfs/dbraw/zinc/99/66/02/1303996602.db2.gz JQYPQQMEIIRLDT-QGZVFWFLSA-N 2 1 328.504 3.236 20 0 EGADMP CCCCC[C@@H](CC)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000775671189 1304011468 /nfs/dbraw/zinc/01/14/68/1304011468.db2.gz XWBMSDVUZYLNTE-MRXNPFEDSA-N 2 1 332.492 3.378 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)OCc2ccccc2)CC1 ZINC000776582386 1304174529 /nfs/dbraw/zinc/17/45/29/1304174529.db2.gz TXGAJTQITWMDSB-UHFFFAOYSA-N 2 1 332.488 3.172 20 0 EGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@@H](O)c2c(F)cccc2Cl)CC1 ZINC000783573763 1305110800 /nfs/dbraw/zinc/11/08/00/1305110800.db2.gz OQWRKWFAMJOVJW-SJKOYZFVSA-N 2 1 328.859 3.363 20 0 EGADMP CCOC(=O)c1ncc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000892583795 1305453746 /nfs/dbraw/zinc/45/37/46/1305453746.db2.gz FJLGEHQASXQIAE-AWEZNQCLSA-N 2 1 339.505 3.064 20 0 EGADMP COCCC[NH+]1CCC([NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC000892802238 1305557683 /nfs/dbraw/zinc/55/76/83/1305557683.db2.gz SBMZSFAHSYYUNG-UHFFFAOYSA-N 2 1 345.531 3.267 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccccc1N1CCCCC1 ZINC000892951455 1305623676 /nfs/dbraw/zinc/62/36/76/1305623676.db2.gz OABHCINKPZBBGN-FQEVSTJZSA-N 2 1 345.531 3.003 20 0 EGADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000894331617 1306345963 /nfs/dbraw/zinc/34/59/63/1306345963.db2.gz HZXDCWWNPJAWJQ-SFTDATJTSA-N 2 1 339.483 3.092 20 0 EGADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894497490 1308922468 /nfs/dbraw/zinc/92/24/68/1308922468.db2.gz YQSAORUHCVBDCX-WCQYABFASA-N 2 1 333.423 3.164 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894497490 1308922471 /nfs/dbraw/zinc/92/24/71/1308922471.db2.gz YQSAORUHCVBDCX-WCQYABFASA-N 2 1 333.423 3.164 20 0 EGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894497490 1308922475 /nfs/dbraw/zinc/92/24/75/1308922475.db2.gz YQSAORUHCVBDCX-WCQYABFASA-N 2 1 333.423 3.164 20 0 EGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894497490 1308922483 /nfs/dbraw/zinc/92/24/83/1308922483.db2.gz YQSAORUHCVBDCX-WCQYABFASA-N 2 1 333.423 3.164 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3CN(Cc4ccc5c(c4)COC5)C[C@H]3C2)cc1 ZINC000791621235 1309035274 /nfs/dbraw/zinc/03/52/74/1309035274.db2.gz UYIBGDGJEZCFNF-SZPZYZBQSA-N 2 1 334.463 3.281 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc5c(c4)COC5)C[C@@H]3C2)cc1 ZINC000791621235 1309035283 /nfs/dbraw/zinc/03/52/83/1309035283.db2.gz UYIBGDGJEZCFNF-SZPZYZBQSA-N 2 1 334.463 3.281 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc5c(c4)COC5)C[C@@H]3C2)cc1 ZINC000791621235 1309035292 /nfs/dbraw/zinc/03/52/92/1309035292.db2.gz UYIBGDGJEZCFNF-SZPZYZBQSA-N 2 1 334.463 3.281 20 0 EGADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCC(=O)N2C ZINC000895378553 1309306797 /nfs/dbraw/zinc/30/67/97/1309306797.db2.gz QZQMGIRLNJSSEQ-APWZRJJASA-N 2 1 343.515 3.148 20 0 EGADMP CN(C)C(=O)c1ccccc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895684029 1309464932 /nfs/dbraw/zinc/46/49/32/1309464932.db2.gz ZZBHCOLRTXODPA-UHFFFAOYSA-N 2 1 331.504 3.086 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000896870759 1310060125 /nfs/dbraw/zinc/06/01/25/1310060125.db2.gz MDUCEOWBYAFWEZ-NEWSRXKRSA-N 2 1 343.515 3.029 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000797111361 1310143376 /nfs/dbraw/zinc/14/33/76/1310143376.db2.gz BWMZWAMYNIWJCC-YESZJQIVSA-N 2 1 339.524 3.144 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000797111361 1310143378 /nfs/dbraw/zinc/14/33/78/1310143378.db2.gz BWMZWAMYNIWJCC-YESZJQIVSA-N 2 1 339.524 3.144 20 0 EGADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897065890 1310162908 /nfs/dbraw/zinc/16/29/08/1310162908.db2.gz WTUANFFIFZOOTG-SFHVURJKSA-N 2 1 329.488 3.402 20 0 EGADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897065890 1310162915 /nfs/dbraw/zinc/16/29/15/1310162915.db2.gz WTUANFFIFZOOTG-SFHVURJKSA-N 2 1 329.488 3.402 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000797966914 1310277131 /nfs/dbraw/zinc/27/71/31/1310277131.db2.gz WBVNVPARTPHMKA-UHFFFAOYSA-N 2 1 327.513 3.050 20 0 EGADMP O[C@@H]1CCCC[C@@H]1CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000897535576 1310366940 /nfs/dbraw/zinc/36/69/40/1310366940.db2.gz AYDQKSWPXXGUOI-WIYYLYMNSA-N 2 1 348.506 3.363 20 0 EGADMP CC(C)n1ncc2cc(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)cnc21 ZINC000798957472 1310462754 /nfs/dbraw/zinc/46/27/54/1310462754.db2.gz XWQNBOQTUAWWOR-UHFFFAOYSA-N 2 1 341.503 3.320 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1Cl ZINC000799177883 1310499885 /nfs/dbraw/zinc/49/98/85/1310499885.db2.gz WXWNVRDDMWIAFS-UHFFFAOYSA-N 2 1 349.906 3.395 20 0 EGADMP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178385 1310499971 /nfs/dbraw/zinc/49/99/71/1310499971.db2.gz OZVLRPPJBUHGKO-UHFFFAOYSA-N 2 1 349.906 3.395 20 0 EGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000839480675 1320927107 /nfs/dbraw/zinc/92/71/07/1320927107.db2.gz LNRJGWYHPRHOCF-FQEVSTJZSA-N 2 1 344.499 3.400 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001018938495 1316980871 /nfs/dbraw/zinc/98/08/71/1316980871.db2.gz QYXVQOUPZYVBNF-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001018938671 1316980917 /nfs/dbraw/zinc/98/09/17/1316980917.db2.gz XKONFROGQIJTLH-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000900512805 1317298458 /nfs/dbraw/zinc/29/84/58/1317298458.db2.gz OPXPTTRCRIRVDT-GOSISDBHSA-N 2 1 344.503 3.004 20 0 EGADMP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000900512805 1317298463 /nfs/dbraw/zinc/29/84/63/1317298463.db2.gz OPXPTTRCRIRVDT-GOSISDBHSA-N 2 1 344.503 3.004 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001019632200 1317311241 /nfs/dbraw/zinc/31/12/41/1317311241.db2.gz DTMCYVIVYVBAFO-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000957593064 1317483523 /nfs/dbraw/zinc/48/35/23/1317483523.db2.gz JAPDKZDMMXBQDG-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)CC1 ZINC000957615055 1317498380 /nfs/dbraw/zinc/49/83/80/1317498380.db2.gz VMCQVBAALBKZLR-UHFFFAOYSA-N 2 1 346.519 3.121 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](CC)CC2 ZINC000957631686 1317506626 /nfs/dbraw/zinc/50/66/26/1317506626.db2.gz PKSRDRDORJMNOM-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC001020029275 1317508255 /nfs/dbraw/zinc/50/82/55/1317508255.db2.gz ZZLRKAQZRXEJFE-LKIAZTKLSA-N 2 1 349.563 3.170 20 0 EGADMP [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000902436996 1317579224 /nfs/dbraw/zinc/57/92/24/1317579224.db2.gz GDNSUWFSSKESBM-DKQPQCJKSA-N 2 1 347.506 3.396 20 0 EGADMP COc1cccc(-c2cc(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)on2)c1 ZINC000902454291 1317581012 /nfs/dbraw/zinc/58/10/12/1317581012.db2.gz SIAFTBNOEPNPKU-HNNXBMFYSA-N 2 1 329.444 3.218 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001020238772 1317603752 /nfs/dbraw/zinc/60/37/52/1317603752.db2.gz BTLRUFJQPXRFOO-VAMGGRTRSA-N 2 1 347.547 3.377 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001020238742 1317604401 /nfs/dbraw/zinc/60/44/01/1317604401.db2.gz ASWBZCYVQNPBDF-BJLQDIEVSA-N 2 1 345.531 3.131 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)c1cccc(Cl)c1 ZINC001020297752 1317633268 /nfs/dbraw/zinc/63/32/68/1317633268.db2.gz YFTGCPXSFSHQQU-BNEJOLLZSA-N 2 1 349.906 3.122 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C(=O)CCC2(C)C)CC1 ZINC000808170336 1317637356 /nfs/dbraw/zinc/63/73/56/1317637356.db2.gz CYGVJRZBLVYYAP-QGZVFWFLSA-N 2 1 335.536 3.321 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[NH+](CCCC2CCCC2)CC1)[NH+]1CCCC1 ZINC000957782923 1317644953 /nfs/dbraw/zinc/64/49/53/1317644953.db2.gz ZGKSKMXKEXJOMI-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[NH+]1CCc2ccccc2C1 ZINC000903080897 1317649660 /nfs/dbraw/zinc/64/96/60/1317649660.db2.gz IMTMODWBROWHDF-OAIAAZCPSA-N 2 1 339.527 3.181 20 0 EGADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[NH+]1CCc2ccccc2C1 ZINC000903080897 1317649668 /nfs/dbraw/zinc/64/96/68/1317649668.db2.gz IMTMODWBROWHDF-OAIAAZCPSA-N 2 1 339.527 3.181 20 0 EGADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000903080897 1317649675 /nfs/dbraw/zinc/64/96/75/1317649675.db2.gz IMTMODWBROWHDF-OAIAAZCPSA-N 2 1 339.527 3.181 20 0 EGADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000903080897 1317649682 /nfs/dbraw/zinc/64/96/82/1317649682.db2.gz IMTMODWBROWHDF-OAIAAZCPSA-N 2 1 339.527 3.181 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc([S@](C)=O)cc1 ZINC000903127955 1317659416 /nfs/dbraw/zinc/65/94/16/1317659416.db2.gz PBQIYELDWJSUPQ-NXHISRGASA-N 2 1 332.513 3.232 20 0 EGADMP c1cc([C@H]2C[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CCO2)ccn1 ZINC000903186449 1317669959 /nfs/dbraw/zinc/66/99/59/1317669959.db2.gz KRDLZOGNOPBQLU-AEOXZHQRSA-N 2 1 327.472 3.049 20 0 EGADMP C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000903193064 1317671225 /nfs/dbraw/zinc/67/12/25/1317671225.db2.gz QALOQAMKQAIGLO-CQSZACIVSA-N 2 1 345.512 3.423 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+]C2(c3ccc4c(c3)OCCO4)CC2)CC1 ZINC000903293180 1317683853 /nfs/dbraw/zinc/68/38/53/1317683853.db2.gz CAGKCIHYOYVBTL-UHFFFAOYSA-N 2 1 330.472 3.299 20 0 EGADMP Fc1ccc(C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)c(F)c1 ZINC000903725098 1317725902 /nfs/dbraw/zinc/72/59/02/1317725902.db2.gz WOQWDOCJCRAHSN-QGZVFWFLSA-N 2 1 336.426 3.088 20 0 EGADMP Fc1ccc(C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)c(F)c1 ZINC000903725098 1317725908 /nfs/dbraw/zinc/72/59/08/1317725908.db2.gz WOQWDOCJCRAHSN-QGZVFWFLSA-N 2 1 336.426 3.088 20 0 EGADMP Cc1c(Cl)ccc2c1C[N@@H+](C[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000903782088 1317732748 /nfs/dbraw/zinc/73/27/48/1317732748.db2.gz YSDKEMJAYUSUQA-INIZCTEOSA-N 2 1 334.891 3.165 20 0 EGADMP C(=C/[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2)\c1ccccc1 ZINC000903788457 1317734471 /nfs/dbraw/zinc/73/44/71/1317734471.db2.gz LJFQPZBPEBVYAB-LTPVEEIWSA-N 2 1 326.484 3.323 20 0 EGADMP CN(C)c1ncc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c2ccccc21 ZINC000929848433 1328719081 /nfs/dbraw/zinc/71/90/81/1328719081.db2.gz SCGUXNUQEJXAAU-UZLBHIALSA-N 2 1 338.499 3.217 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903899424 1317745375 /nfs/dbraw/zinc/74/53/75/1317745375.db2.gz UREFKFUNTBFFKG-DOMZBBRYSA-N 2 1 331.838 3.001 20 0 EGADMP CCOCc1cc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000903959558 1317756175 /nfs/dbraw/zinc/75/61/75/1317756175.db2.gz JQCQFBNZGHFBNW-HXUWFJFHSA-N 2 1 332.488 3.197 20 0 EGADMP FC1(F)C[C@@]2(CC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)C1(F)F ZINC000903978949 1317761036 /nfs/dbraw/zinc/76/10/36/1317761036.db2.gz PIVAFODJCJRBSS-CYBMUJFWSA-N 2 1 334.382 3.260 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000809605337 1317842526 /nfs/dbraw/zinc/84/25/26/1317842526.db2.gz BETBHQFEJCWSKZ-KLAILNCOSA-N 2 1 339.524 3.286 20 0 EGADMP Fc1cc(F)c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000904475733 1317852880 /nfs/dbraw/zinc/85/28/80/1317852880.db2.gz QLIHPZNSFIDOAO-IEBWSBKVSA-N 2 1 348.368 3.449 20 0 EGADMP CC[C@H](C)C[C@@H]([NH3+])c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000904552198 1317862100 /nfs/dbraw/zinc/86/21/00/1317862100.db2.gz NINFJWAJYDPIJU-XJKSGUPXSA-N 2 1 332.448 3.113 20 0 EGADMP Cc1nn2c(C[N@@H+](C)Cc3ccc(C[NH+](C)C)cc3)c(C)nc2s1 ZINC000809739012 1317883963 /nfs/dbraw/zinc/88/39/63/1317883963.db2.gz UBTUILBBKYTRPR-UHFFFAOYSA-N 2 1 343.500 3.101 20 0 EGADMP Cc1nn2c(C[N@H+](C)Cc3ccc(C[NH+](C)C)cc3)c(C)nc2s1 ZINC000809739012 1317883972 /nfs/dbraw/zinc/88/39/72/1317883972.db2.gz UBTUILBBKYTRPR-UHFFFAOYSA-N 2 1 343.500 3.101 20 0 EGADMP Cn1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(-c2ccncc2)n1 ZINC000809739026 1317884654 /nfs/dbraw/zinc/88/46/54/1317884654.db2.gz URWHHAKETONGOG-UHFFFAOYSA-N 2 1 349.482 3.176 20 0 EGADMP COCCOc1ccccc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738837 1317885207 /nfs/dbraw/zinc/88/52/07/1317885207.db2.gz MCGMYWKHTBPUBM-UHFFFAOYSA-N 2 1 342.483 3.405 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001021049687 1318060286 /nfs/dbraw/zinc/06/02/86/1318060286.db2.gz QQBPTJGRGVVWAS-XWPNQZOQSA-N 2 1 343.515 3.060 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(C(C)(C)C)CC3)C2)C1 ZINC001021044461 1318060429 /nfs/dbraw/zinc/06/04/29/1318060429.db2.gz NZIXQQXKDIJRNL-QLBHFUSHSA-N 2 1 349.563 3.027 20 0 EGADMP C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)[NH+]1CCCCCC1 ZINC001021400506 1318233517 /nfs/dbraw/zinc/23/35/17/1318233517.db2.gz XIRKNPZKBUFZAK-VOBGVNJCSA-N 2 1 347.547 3.163 20 0 EGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000907797329 1318259513 /nfs/dbraw/zinc/25/95/13/1318259513.db2.gz SVSUSNOUCDZXFR-UHFFFAOYSA-N 2 1 345.487 3.024 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCCCCC2)C1 ZINC001021460732 1318265636 /nfs/dbraw/zinc/26/56/36/1318265636.db2.gz HEQVUJBVHFVJDM-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCCCCC2)C1 ZINC001021460732 1318265644 /nfs/dbraw/zinc/26/56/44/1318265644.db2.gz HEQVUJBVHFVJDM-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCCCC2)C1 ZINC001021460732 1318265658 /nfs/dbraw/zinc/26/56/58/1318265658.db2.gz HEQVUJBVHFVJDM-UMQXSMKFSA-N 2 1 347.547 3.020 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000959924740 1318267885 /nfs/dbraw/zinc/26/78/85/1318267885.db2.gz IYWCIZYLNYRMBW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021703937 1318576586 /nfs/dbraw/zinc/57/65/86/1318576586.db2.gz CXAGATXGOBSYAH-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCSc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000930061132 1328775106 /nfs/dbraw/zinc/77/51/06/1328775106.db2.gz QOEMQPDOCSYKMM-RCCFBDPRSA-N 2 1 334.529 3.482 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[NH+](CC)C[C@@H]2C)cc1 ZINC000910285564 1318597815 /nfs/dbraw/zinc/59/78/15/1318597815.db2.gz RTKNKJQYDOBMSP-SFHVURJKSA-N 2 1 345.531 3.475 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](CC)C[C@@H]2C)cc1 ZINC000910285564 1318597819 /nfs/dbraw/zinc/59/78/19/1318597819.db2.gz RTKNKJQYDOBMSP-SFHVURJKSA-N 2 1 345.531 3.475 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000910285564 1318597827 /nfs/dbraw/zinc/59/78/27/1318597827.db2.gz RTKNKJQYDOBMSP-SFHVURJKSA-N 2 1 345.531 3.475 20 0 EGADMP CCSc1ccccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000930061130 1328775571 /nfs/dbraw/zinc/77/55/71/1328775571.db2.gz QOEMQPDOCSYKMM-KZNAEPCWSA-N 2 1 334.529 3.482 20 0 EGADMP C[C@H](C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21)C[NH+](C)C ZINC000813878375 1318648733 /nfs/dbraw/zinc/64/87/33/1318648733.db2.gz NUMLFEZZRXZQGD-JLSDUUJJSA-N 2 1 347.503 3.485 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1)c1ccccc1 ZINC001022069667 1318786935 /nfs/dbraw/zinc/78/69/35/1318786935.db2.gz NJKUSQWBXUAARB-ZGXWSNOMSA-N 2 1 343.515 3.247 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022070277 1318788552 /nfs/dbraw/zinc/78/85/52/1318788552.db2.gz UMMOVNAWDRHVPN-CEXWTWQISA-N 2 1 335.536 3.066 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C)CC1CCCCC1 ZINC000960686929 1318793050 /nfs/dbraw/zinc/79/30/50/1318793050.db2.gz ZEGAHXSODIGIEF-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C)CC1CCCCC1 ZINC000960686929 1318793053 /nfs/dbraw/zinc/79/30/53/1318793053.db2.gz ZEGAHXSODIGIEF-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C)CC1CCCCC1 ZINC000960686929 1318793057 /nfs/dbraw/zinc/79/30/57/1318793057.db2.gz ZEGAHXSODIGIEF-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001022163942 1318825048 /nfs/dbraw/zinc/82/50/48/1318825048.db2.gz CHWZVLPXVHSVLZ-CEXWTWQISA-N 2 1 335.536 3.068 20 0 EGADMP CCc1cccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@H](CC)[NH+](C)C)c1 ZINC000960885685 1319023358 /nfs/dbraw/zinc/02/33/58/1319023358.db2.gz VGIOSLQPXOGGKU-PMACEKPBSA-N 2 1 345.531 3.012 20 0 EGADMP C[C@@H](CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1)n1ccnc1 ZINC000960905034 1319045449 /nfs/dbraw/zinc/04/54/49/1319045449.db2.gz UUJNNUMVEAMIHE-WMZOPIPTSA-N 2 1 346.519 3.193 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CC2)o1 ZINC000961051925 1319173978 /nfs/dbraw/zinc/17/39/78/1319173978.db2.gz XZSITMSXZCXDGX-KRWDZBQOSA-N 2 1 347.503 3.068 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961281770 1319438189 /nfs/dbraw/zinc/43/81/89/1319438189.db2.gz IDKJCWWENKKCBA-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)c1c[nH+]ccc1N ZINC000817906426 1319457040 /nfs/dbraw/zinc/45/70/40/1319457040.db2.gz ZYMNKHAQNHDLJM-LKFCYVNXSA-N 2 1 326.227 3.185 20 0 EGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000817957683 1319476938 /nfs/dbraw/zinc/47/69/38/1319476938.db2.gz DQFSVVXZYZFGMX-KSSFIOAISA-N 2 1 331.460 3.201 20 0 EGADMP COc1ccc([C@@H](C)N[C@@H]2CCC[NH2+]CC2)cc1C[NH+]1CCCCC1 ZINC000817969697 1319481294 /nfs/dbraw/zinc/48/12/94/1319481294.db2.gz YBOMEWCXJHROOX-YLJYHZDGSA-N 2 1 345.531 3.474 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001023395630 1319503621 /nfs/dbraw/zinc/50/36/21/1319503621.db2.gz IWTAQNFDSNMHDC-MRXNPFEDSA-N 2 1 349.544 3.052 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414260 1319518473 /nfs/dbraw/zinc/51/84/73/1319518473.db2.gz PAIGJXDMBZHGGO-AZUAARDMSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414260 1319518480 /nfs/dbraw/zinc/51/84/80/1319518480.db2.gz PAIGJXDMBZHGGO-AZUAARDMSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414260 1319518487 /nfs/dbraw/zinc/51/84/87/1319518487.db2.gz PAIGJXDMBZHGGO-AZUAARDMSA-N 2 1 347.547 3.188 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccccc2)[C@H]1c1cccs1 ZINC000819100839 1319634755 /nfs/dbraw/zinc/63/47/55/1319634755.db2.gz JIEHNXQWOJXMEG-LNLFQRSKSA-N 2 1 330.497 3.454 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccccc2)[C@H]1c1cccs1 ZINC000819100839 1319634761 /nfs/dbraw/zinc/63/47/61/1319634761.db2.gz JIEHNXQWOJXMEG-LNLFQRSKSA-N 2 1 330.497 3.454 20 0 EGADMP CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552729 1319662941 /nfs/dbraw/zinc/66/29/41/1319662941.db2.gz MCDCTTPCGKAGBC-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552729 1319662949 /nfs/dbraw/zinc/66/29/49/1319662949.db2.gz MCDCTTPCGKAGBC-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552729 1319662960 /nfs/dbraw/zinc/66/29/60/1319662960.db2.gz MCDCTTPCGKAGBC-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000819275178 1319686819 /nfs/dbraw/zinc/68/68/19/1319686819.db2.gz RPSAUPZAIGBWNM-XLIONFOSSA-N 2 1 344.886 3.485 20 0 EGADMP C[N@@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000822692343 1320114605 /nfs/dbraw/zinc/11/46/05/1320114605.db2.gz YBFOLVWIZNOLET-VUCTXSBTSA-N 2 1 343.298 3.443 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000822692343 1320114606 /nfs/dbraw/zinc/11/46/06/1320114606.db2.gz YBFOLVWIZNOLET-VUCTXSBTSA-N 2 1 343.298 3.443 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H](O)c3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000822692343 1320114610 /nfs/dbraw/zinc/11/46/10/1320114610.db2.gz YBFOLVWIZNOLET-VUCTXSBTSA-N 2 1 343.298 3.443 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H](O)c3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000822692343 1320114612 /nfs/dbraw/zinc/11/46/12/1320114612.db2.gz YBFOLVWIZNOLET-VUCTXSBTSA-N 2 1 343.298 3.443 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000839073694 1320862677 /nfs/dbraw/zinc/86/26/77/1320862677.db2.gz PIVUNIUYNKWHET-YRPNKDGESA-N 2 1 348.556 3.397 20 0 EGADMP C[C@@]1(C[NH2+]Cc2cnc(C3CC3)nc2)CC[N@H+](Cc2ccccc2)C1 ZINC000839074360 1320862967 /nfs/dbraw/zinc/86/29/67/1320862967.db2.gz UTKOESVBYSVAMX-NRFANRHFSA-N 2 1 336.483 3.356 20 0 EGADMP C[C@@]1(C[NH2+]Cc2cnc(C3CC3)nc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000839074360 1320862969 /nfs/dbraw/zinc/86/29/69/1320862969.db2.gz UTKOESVBYSVAMX-NRFANRHFSA-N 2 1 336.483 3.356 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839679498 1320959613 /nfs/dbraw/zinc/95/96/13/1320959613.db2.gz NVDIOQYWQADSPZ-LJQANCHMSA-N 2 1 348.491 3.057 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839679498 1320959615 /nfs/dbraw/zinc/95/96/15/1320959615.db2.gz NVDIOQYWQADSPZ-LJQANCHMSA-N 2 1 348.491 3.057 20 0 EGADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1(C)C ZINC000840722441 1321135282 /nfs/dbraw/zinc/13/52/82/1321135282.db2.gz HVTCECHSEOBACK-RCCFBDPRSA-N 2 1 338.536 3.202 20 0 EGADMP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+][C@H](C)CC[NH3+] ZINC000841049404 1321209170 /nfs/dbraw/zinc/20/91/70/1321209170.db2.gz DNRNKGHEOQBALL-SNVBAGLBSA-N 2 1 327.259 3.314 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)cn1 ZINC000841383192 1321267080 /nfs/dbraw/zinc/26/70/80/1321267080.db2.gz ZQCRGVLIMURAKY-GOSISDBHSA-N 2 1 349.438 3.207 20 0 EGADMP C[C@@H](NC(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)c1cccs1 ZINC000859215810 1328948725 /nfs/dbraw/zinc/94/87/25/1328948725.db2.gz SLPWIGOBZZPPCG-OAHLLOKOSA-N 2 1 345.512 3.119 20 0 EGADMP C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)c1cccs1 ZINC000859215810 1328948729 /nfs/dbraw/zinc/94/87/29/1328948729.db2.gz SLPWIGOBZZPPCG-OAHLLOKOSA-N 2 1 345.512 3.119 20 0 EGADMP O[C@@H](C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1)c1cccs1 ZINC000842472774 1321393680 /nfs/dbraw/zinc/39/36/80/1321393680.db2.gz KJDISXYCGKBYDV-AEFFLSMTSA-N 2 1 330.497 3.283 20 0 EGADMP C[N@@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C1CCC([NH3+])CC1 ZINC000843353791 1321505472 /nfs/dbraw/zinc/50/54/72/1321505472.db2.gz JMRNVZGOCHVDQP-UHFFFAOYSA-N 2 1 331.504 3.015 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC(F)F)C1 ZINC000843378172 1321509036 /nfs/dbraw/zinc/50/90/36/1321509036.db2.gz WNSXCEQMUZZPHG-LBPRGKRZSA-N 2 1 343.443 3.001 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC(F)F)C1 ZINC000843378172 1321509040 /nfs/dbraw/zinc/50/90/40/1321509040.db2.gz WNSXCEQMUZZPHG-LBPRGKRZSA-N 2 1 343.443 3.001 20 0 EGADMP CCc1ccc2c(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000843387850 1321509173 /nfs/dbraw/zinc/50/91/73/1321509173.db2.gz JJROWOHECYVSFF-DLBZAZTESA-N 2 1 340.467 3.177 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000844280906 1321585119 /nfs/dbraw/zinc/58/51/19/1321585119.db2.gz XTGOFXMFODVADH-HZPDHXFCSA-N 2 1 345.314 3.043 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000844280906 1321585124 /nfs/dbraw/zinc/58/51/24/1321585124.db2.gz XTGOFXMFODVADH-HZPDHXFCSA-N 2 1 345.314 3.043 20 0 EGADMP C[C@@]1(NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000846592448 1321794735 /nfs/dbraw/zinc/79/47/35/1321794735.db2.gz RIHULCIGQZVXAL-OAQYLSRUSA-N 2 1 343.515 3.033 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000846814389 1321811208 /nfs/dbraw/zinc/81/12/08/1321811208.db2.gz BTOOTNCPXFDILC-AEFFLSMTSA-N 2 1 331.460 3.314 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000846814389 1321811211 /nfs/dbraw/zinc/81/12/11/1321811211.db2.gz BTOOTNCPXFDILC-AEFFLSMTSA-N 2 1 331.460 3.314 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OC)cc1 ZINC000848998480 1322057624 /nfs/dbraw/zinc/05/76/24/1322057624.db2.gz MCCHPRHDHKHKQR-GOSISDBHSA-N 2 1 346.519 3.006 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])N3CCCCC3)cc2)C1 ZINC000849058478 1322061967 /nfs/dbraw/zinc/06/19/67/1322061967.db2.gz GXLFWZWAHAXSAI-QGZVFWFLSA-N 2 1 328.504 3.429 20 0 EGADMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000849063558 1322062749 /nfs/dbraw/zinc/06/27/49/1322062749.db2.gz JOQUDPGTXGYSOC-OAHLLOKOSA-N 2 1 348.491 3.151 20 0 EGADMP C[N@@H+](CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000849099733 1322078074 /nfs/dbraw/zinc/07/80/74/1322078074.db2.gz JFTYRCNSMAWZOZ-UHFFFAOYSA-N 2 1 342.409 3.194 20 0 EGADMP Cn1ccnc1C[C@@H](NCc1cnn(C2CCC2)c1)c1ccccc1 ZINC000921799330 1322399501 /nfs/dbraw/zinc/39/95/01/1322399501.db2.gz FVLLCVYHBNLBRM-LJQANCHMSA-N 2 1 335.455 3.415 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C3CC3)cc1)C2 ZINC000922391705 1322517455 /nfs/dbraw/zinc/51/74/55/1322517455.db2.gz YKXDDDVITSHLKM-CGXNFDGLSA-N 2 1 328.500 3.133 20 0 EGADMP O[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1Cl ZINC000923361976 1322740826 /nfs/dbraw/zinc/74/08/26/1322740826.db2.gz JEVJGAMSOVHEER-PBFPGSCMSA-N 2 1 343.298 3.348 20 0 EGADMP [NH3+]CC[C@@H]1CC[N@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC000923478967 1322759595 /nfs/dbraw/zinc/75/95/95/1322759595.db2.gz KSNJZQBYIOTJBW-SNVBAGLBSA-N 2 1 341.242 3.214 20 0 EGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC000923478967 1322759598 /nfs/dbraw/zinc/75/95/98/1322759598.db2.gz KSNJZQBYIOTJBW-SNVBAGLBSA-N 2 1 341.242 3.214 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@@H]1C[NH3+] ZINC000923493512 1322761850 /nfs/dbraw/zinc/76/18/50/1322761850.db2.gz HOYQKSXKBNWPKL-SJLPKXTDSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@]1(Cc2ccc(Cl)s2)CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000923525994 1322769914 /nfs/dbraw/zinc/76/99/14/1322769914.db2.gz MKOGSIIRFQHMDM-CZUORRHYSA-N 2 1 340.920 3.320 20 0 EGADMP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CC[N@H+]3C3CCCC3)n2)cc1 ZINC000923780284 1322807604 /nfs/dbraw/zinc/80/76/04/1322807604.db2.gz KOEFLNNIBPHQMM-KRWDZBQOSA-N 2 1 326.444 3.488 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2COC(C)(C)O2)CC1)CC(C)C ZINC000851891779 1323108197 /nfs/dbraw/zinc/10/81/97/1323108197.db2.gz CCJCQSIREVZMLI-GOSISDBHSA-N 2 1 326.525 3.218 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000924684311 1323112207 /nfs/dbraw/zinc/11/22/07/1323112207.db2.gz DQUWGPUVHDKSRE-MISYRCLQSA-N 2 1 332.536 3.376 20 0 EGADMP CC1(C)OC[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)O1 ZINC000852017323 1323132355 /nfs/dbraw/zinc/13/23/55/1323132355.db2.gz AZEKBQYMFMHEEN-QZTJIDSGSA-N 2 1 332.488 3.028 20 0 EGADMP CC1(C)OC[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)O1 ZINC000852017323 1323132367 /nfs/dbraw/zinc/13/23/67/1323132367.db2.gz AZEKBQYMFMHEEN-QZTJIDSGSA-N 2 1 332.488 3.028 20 0 EGADMP C[C@@H]1[C@@H](NC2CC[NH+](C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000924841814 1323184439 /nfs/dbraw/zinc/18/44/39/1323184439.db2.gz DWQKJCMQYVEYCR-UTKZUKDTSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCN1Cc1ccccc1 ZINC000924841814 1323184441 /nfs/dbraw/zinc/18/44/41/1323184441.db2.gz DWQKJCMQYVEYCR-UTKZUKDTSA-N 2 1 327.516 3.256 20 0 EGADMP CCCC[NH+]1CCC([NH2+][C@@H](C)[C@H](NC(C)=O)c2ccccc2F)CC1 ZINC000924845015 1323185850 /nfs/dbraw/zinc/18/58/50/1323185850.db2.gz CWSJIOAACSFLCR-YWZLYKJASA-N 2 1 349.494 3.246 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCN(OCc3ccccc3)CC2)C1 ZINC000924959912 1323228299 /nfs/dbraw/zinc/22/82/99/1323228299.db2.gz MSSKCMKPFFZSRG-FQEVSTJZSA-N 2 1 345.531 3.293 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001024278523 1323257053 /nfs/dbraw/zinc/25/70/53/1323257053.db2.gz PVIPBHMRSUAQAS-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024513153 1323463084 /nfs/dbraw/zinc/46/30/84/1323463084.db2.gz NOQYAAKWQMKQTP-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024513153 1323463085 /nfs/dbraw/zinc/46/30/85/1323463085.db2.gz NOQYAAKWQMKQTP-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001024513153 1323463088 /nfs/dbraw/zinc/46/30/88/1323463088.db2.gz NOQYAAKWQMKQTP-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001024513153 1323463090 /nfs/dbraw/zinc/46/30/90/1323463090.db2.gz NOQYAAKWQMKQTP-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557106 1323497112 /nfs/dbraw/zinc/49/71/12/1323497112.db2.gz LTTBJZLHVOJLRG-QGZVFWFLSA-N 2 1 342.487 3.355 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2CC(C)(C)C2)CC[N@H+]1C ZINC001024620404 1323548612 /nfs/dbraw/zinc/54/86/12/1323548612.db2.gz UCXVOQIUCABJRF-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CC(C)(C)C2)CC[NH+]1C ZINC001024620404 1323548615 /nfs/dbraw/zinc/54/86/15/1323548615.db2.gz UCXVOQIUCABJRF-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC2CC(C)(C)C2)CC[NH+]1C ZINC001024620404 1323548623 /nfs/dbraw/zinc/54/86/23/1323548623.db2.gz UCXVOQIUCABJRF-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001024692603 1323609293 /nfs/dbraw/zinc/60/92/93/1323609293.db2.gz PJRAUZKPJIGZGQ-RBUKOAKNSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024692603 1323609300 /nfs/dbraw/zinc/60/93/00/1323609300.db2.gz PJRAUZKPJIGZGQ-RBUKOAKNSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024692603 1323609310 /nfs/dbraw/zinc/60/93/10/1323609310.db2.gz PJRAUZKPJIGZGQ-RBUKOAKNSA-N 2 1 335.536 3.186 20 0 EGADMP O=C(NC[C@@H]1CCCC[N@H+]1CCC1CCCCC1)C12CC[NH+](CC1)C2 ZINC001024760054 1323661359 /nfs/dbraw/zinc/66/13/59/1323661359.db2.gz PKVOSYJAAWGKEH-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP CCC(CC)C[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024761470 1323661847 /nfs/dbraw/zinc/66/18/47/1323661847.db2.gz HDQBLWRDSMVCAC-KRWDZBQOSA-N 2 1 346.519 3.168 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024761470 1323661850 /nfs/dbraw/zinc/66/18/50/1323661850.db2.gz HDQBLWRDSMVCAC-KRWDZBQOSA-N 2 1 346.519 3.168 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001024761544 1323662455 /nfs/dbraw/zinc/66/24/55/1323662455.db2.gz IRKSUNLSJWAGOS-MRXNPFEDSA-N 2 1 346.519 3.168 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CCCC[N@H+]1CCC(C)(C)C ZINC001024761544 1323662465 /nfs/dbraw/zinc/66/24/65/1323662465.db2.gz IRKSUNLSJWAGOS-MRXNPFEDSA-N 2 1 346.519 3.168 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811308 1323714625 /nfs/dbraw/zinc/71/46/25/1323714625.db2.gz PPXLEWJAPPWCKP-MOPGFXCFSA-N 2 1 349.494 3.081 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024812713 1323716070 /nfs/dbraw/zinc/71/60/70/1323716070.db2.gz ROCXXCAWOAWYPS-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC001024812713 1323716073 /nfs/dbraw/zinc/71/60/73/1323716073.db2.gz ROCXXCAWOAWYPS-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccsc1 ZINC001024812713 1323716077 /nfs/dbraw/zinc/71/60/77/1323716077.db2.gz ROCXXCAWOAWYPS-ZWKOTPCHSA-N 2 1 349.544 3.093 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814985 1323718453 /nfs/dbraw/zinc/71/84/53/1323718453.db2.gz ZFJALNSILRWSDH-PKOBYXMFSA-N 2 1 345.531 3.379 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)c1ccc(F)cc1 ZINC000859995097 1329123881 /nfs/dbraw/zinc/12/38/81/1329123881.db2.gz KQJCHNPWIXXYLL-FQEVSTJZSA-N 2 1 330.447 3.443 20 0 EGADMP Cc1c(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CC(C)C)C2)ccc2c[nH+]cn21 ZINC001025465942 1324310133 /nfs/dbraw/zinc/31/01/33/1324310133.db2.gz XCBSFHLYMLGKQR-NVXWUHKLSA-N 2 1 342.487 3.129 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025493078 1324344823 /nfs/dbraw/zinc/34/48/23/1324344823.db2.gz KDZMOSKTCMUZTG-IEBWSBKVSA-N 2 1 345.531 3.029 20 0 EGADMP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001025527572 1324373666 /nfs/dbraw/zinc/37/36/66/1324373666.db2.gz YJRSMBDWEKRHRR-FXAWDEMLSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025597213 1324446202 /nfs/dbraw/zinc/44/62/02/1324446202.db2.gz OGPZSSIYAHYYDX-IAGOWNOFSA-N 2 1 346.519 3.024 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025597213 1324446207 /nfs/dbraw/zinc/44/62/07/1324446207.db2.gz OGPZSSIYAHYYDX-IAGOWNOFSA-N 2 1 346.519 3.024 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001026492735 1324846477 /nfs/dbraw/zinc/84/64/77/1324846477.db2.gz VWUVDLICYFMVAY-MHJFOBGBSA-N 2 1 349.563 3.457 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026503494 1324853225 /nfs/dbraw/zinc/85/32/25/1324853225.db2.gz WZBXEQYPTCSKSM-ACBHZAAOSA-N 2 1 335.536 3.068 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026897909 1325067634 /nfs/dbraw/zinc/06/76/34/1325067634.db2.gz WQGXAUMUZMNXQF-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3CC[C@@H](C4CCCCC4)C3=O)C2)CC1 ZINC000853504724 1325106901 /nfs/dbraw/zinc/10/69/01/1325106901.db2.gz ODVDAOKFJXNLFY-UXHICEINSA-N 2 1 347.547 3.036 20 0 EGADMP C[C@@H](CC[NH2+]Cc1c(-c2ccccc2)nc2sccn12)[NH+](C)C ZINC000853824540 1325168566 /nfs/dbraw/zinc/16/85/66/1325168566.db2.gz JCSHZAYWXSPKGH-AWEZNQCLSA-N 2 1 328.485 3.493 20 0 EGADMP N[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C12CCC2 ZINC000925560024 1325209029 /nfs/dbraw/zinc/20/90/29/1325209029.db2.gz VYPMQWOALLEQJO-OALUTQOASA-N 2 1 347.934 3.412 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001027103944 1325229170 /nfs/dbraw/zinc/22/91/70/1325229170.db2.gz IWWMIURLEHBIIY-PKOBYXMFSA-N 2 1 349.563 3.124 20 0 EGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)C12CCC2 ZINC000925627036 1325238484 /nfs/dbraw/zinc/23/84/84/1325238484.db2.gz VTRYWSPPEVUIRQ-OALUTQOASA-N 2 1 335.451 3.298 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925666749 1325255568 /nfs/dbraw/zinc/25/55/68/1325255568.db2.gz QXWWZGRLZMZUKF-RBUKOAKNSA-N 2 1 327.516 3.161 20 0 EGADMP C[C@H](CCc1ccc(F)cc1F)N1CCc2sc(CN)nc2C1 ZINC000925750127 1325282453 /nfs/dbraw/zinc/28/24/53/1325282453.db2.gz CNUNWLOEJRSAFQ-LLVKDONJSA-N 2 1 337.439 3.259 20 0 EGADMP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)n1 ZINC000925874084 1325338748 /nfs/dbraw/zinc/33/87/48/1325338748.db2.gz UWAPYQURTRYSKJ-XMTFNYHQSA-N 2 1 340.471 3.351 20 0 EGADMP C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000926287432 1325504202 /nfs/dbraw/zinc/50/42/02/1325504202.db2.gz NZTWSTUGJZDIJV-IRXDYDNUSA-N 2 1 343.471 3.493 20 0 EGADMP C[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000926287432 1325504207 /nfs/dbraw/zinc/50/42/07/1325504207.db2.gz NZTWSTUGJZDIJV-IRXDYDNUSA-N 2 1 343.471 3.493 20 0 EGADMP O[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000926553856 1327613263 /nfs/dbraw/zinc/61/32/63/1327613263.db2.gz VIRVUOAPKYMBIU-VTHDOGFWSA-N 2 1 328.500 3.323 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027409841 1327637820 /nfs/dbraw/zinc/63/78/20/1327637820.db2.gz OTTLXWCOHXGRLN-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027409841 1327637827 /nfs/dbraw/zinc/63/78/27/1327637827.db2.gz OTTLXWCOHXGRLN-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027409841 1327637833 /nfs/dbraw/zinc/63/78/33/1327637833.db2.gz OTTLXWCOHXGRLN-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP C[N@@H+](CCC1CC1)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027442672 1327681205 /nfs/dbraw/zinc/68/12/05/1327681205.db2.gz DUAUUSPBKRHOTL-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC1CC1)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001027442672 1327681219 /nfs/dbraw/zinc/68/12/19/1327681219.db2.gz DUAUUSPBKRHOTL-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC1CC1)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001027442672 1327681230 /nfs/dbraw/zinc/68/12/30/1327681230.db2.gz DUAUUSPBKRHOTL-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001027492614 1327752666 /nfs/dbraw/zinc/75/26/66/1327752666.db2.gz RNDBYOCXRXJQAH-HXUWFJFHSA-N 2 1 348.450 3.071 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH+](C)CC3CCCC3)C2)C1 ZINC001027542379 1327845923 /nfs/dbraw/zinc/84/59/23/1327845923.db2.gz KWZAHCDFSUGXGY-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@@H]([N@H+](C)CC3CCCC3)C2)C1 ZINC001027542379 1327845928 /nfs/dbraw/zinc/84/59/28/1327845928.db2.gz KWZAHCDFSUGXGY-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)CC3CCCC3)C2)C1 ZINC001027542379 1327845936 /nfs/dbraw/zinc/84/59/36/1327845936.db2.gz KWZAHCDFSUGXGY-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555375 1327862143 /nfs/dbraw/zinc/86/21/43/1327862143.db2.gz KGLSYOKBTFNTDO-FXAWDEMLSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(C)ccc2C)C1)[NH+](C)C ZINC001027578164 1327915291 /nfs/dbraw/zinc/91/52/91/1327915291.db2.gz FKGNJCIROCVDQH-UXHICEINSA-N 2 1 345.531 3.066 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1 ZINC001027602428 1327954127 /nfs/dbraw/zinc/95/41/27/1327954127.db2.gz UKOGOOZOZLPBIJ-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC001027602428 1327954134 /nfs/dbraw/zinc/95/41/34/1327954134.db2.gz UKOGOOZOZLPBIJ-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027680694 1328078003 /nfs/dbraw/zinc/07/80/03/1328078003.db2.gz JCKCVQBLAALVOS-OALUTQOASA-N 2 1 343.515 3.075 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCCC1 ZINC001027878775 1328345757 /nfs/dbraw/zinc/34/57/57/1328345757.db2.gz ILEUTCBBOYWDLO-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC001027878775 1328345764 /nfs/dbraw/zinc/34/57/64/1328345764.db2.gz ILEUTCBBOYWDLO-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCCC1 ZINC001027878775 1328345770 /nfs/dbraw/zinc/34/57/70/1328345770.db2.gz ILEUTCBBOYWDLO-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885482 1328354619 /nfs/dbraw/zinc/35/46/19/1328354619.db2.gz FKZJQJIEAHRHAU-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885482 1328354626 /nfs/dbraw/zinc/35/46/26/1328354626.db2.gz FKZJQJIEAHRHAU-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885482 1328354632 /nfs/dbraw/zinc/35/46/32/1328354632.db2.gz FKZJQJIEAHRHAU-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001027924467 1328403073 /nfs/dbraw/zinc/40/30/73/1328403073.db2.gz JRNFMWZGTUWYGG-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001027924467 1328403077 /nfs/dbraw/zinc/40/30/77/1328403077.db2.gz JRNFMWZGTUWYGG-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001027924467 1328403081 /nfs/dbraw/zinc/40/30/81/1328403081.db2.gz JRNFMWZGTUWYGG-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027929668 1328408908 /nfs/dbraw/zinc/40/89/08/1328408908.db2.gz HWNKJOLZZMAKTD-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929668 1328408912 /nfs/dbraw/zinc/40/89/12/1328408912.db2.gz HWNKJOLZZMAKTD-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001027929668 1328408916 /nfs/dbraw/zinc/40/89/16/1328408916.db2.gz HWNKJOLZZMAKTD-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1c(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCC2)ccc2c[nH+]cn21 ZINC001027982029 1328454692 /nfs/dbraw/zinc/45/46/92/1328454692.db2.gz LERLNYFCNWNLKQ-KRWDZBQOSA-N 2 1 340.471 3.027 20 0 EGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000865409757 1329693139 /nfs/dbraw/zinc/69/31/39/1329693139.db2.gz STPMMPCICHTKBT-UHFFFAOYSA-N 2 1 336.430 3.185 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000865409757 1329693140 /nfs/dbraw/zinc/69/31/40/1329693140.db2.gz STPMMPCICHTKBT-UHFFFAOYSA-N 2 1 336.430 3.185 20 0 EGADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2cc(F)ccc2F)n1 ZINC000865416755 1329694483 /nfs/dbraw/zinc/69/44/83/1329694483.db2.gz KZMOZIYSIYDBCT-CVEARBPZSA-N 2 1 346.425 3.082 20 0 EGADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2cc(F)ccc2F)n1 ZINC000865416755 1329694485 /nfs/dbraw/zinc/69/44/85/1329694485.db2.gz KZMOZIYSIYDBCT-CVEARBPZSA-N 2 1 346.425 3.082 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000865522263 1329708673 /nfs/dbraw/zinc/70/86/73/1329708673.db2.gz MMLBKDFMXNDDLN-UHFFFAOYSA-N 2 1 345.487 3.063 20 0 EGADMP C[C@H](O)c1ncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000865660952 1329726463 /nfs/dbraw/zinc/72/64/63/1329726463.db2.gz UFUGWIMFODJIEZ-YQQAZPJKSA-N 2 1 345.512 3.054 20 0 EGADMP C[C@H](O)c1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000865660952 1329726465 /nfs/dbraw/zinc/72/64/65/1329726465.db2.gz UFUGWIMFODJIEZ-YQQAZPJKSA-N 2 1 345.512 3.054 20 0 EGADMP CS[C@@H]1CN(c2cc[nH+]cc2C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000865685303 1329729341 /nfs/dbraw/zinc/72/93/41/1329729341.db2.gz FVIJNPMRGJHEBP-ZIAGYGMSSA-N 2 1 331.407 3.116 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052486906 1348554391 /nfs/dbraw/zinc/55/43/91/1348554391.db2.gz QMOKTYMKQVQQFN-SFHVURJKSA-N 2 1 349.563 3.269 20 0 EGADMP c1cc(C[N@H+]2CCC[C@@H]2C2OCCO2)cc(C[NH+]2CCCCC2)c1 ZINC000933899667 1329932053 /nfs/dbraw/zinc/93/20/53/1329932053.db2.gz FSOFQUZFDNBXIF-LJQANCHMSA-N 2 1 330.472 3.010 20 0 EGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000934074047 1329944225 /nfs/dbraw/zinc/94/42/25/1329944225.db2.gz UCFMRIYBBPOMGS-QGZVFWFLSA-N 2 1 345.491 3.020 20 0 EGADMP CCCN(CCC[NH+](C)C)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000934078166 1329944863 /nfs/dbraw/zinc/94/48/63/1329944863.db2.gz JFHDLRGPVQGITL-UHFFFAOYSA-N 2 1 347.507 3.268 20 0 EGADMP CC(C)(C)[NH2+]CCC(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000935919474 1330094913 /nfs/dbraw/zinc/09/49/13/1330094913.db2.gz IGWGHMWQPRFQFG-KRWDZBQOSA-N 2 1 343.471 3.005 20 0 EGADMP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2Cl)CC1 ZINC000866660825 1330138678 /nfs/dbraw/zinc/13/86/78/1330138678.db2.gz MWBINGCODKONDL-AWEZNQCLSA-N 2 1 337.895 3.297 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)CC1(C)C)[NH+]1CCCCC1 ZINC000940747854 1331177908 /nfs/dbraw/zinc/17/79/08/1331177908.db2.gz PYPVXADDEFACNP-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCC2CC2)CC1(C)C)[NH+]1CCCCC1 ZINC000940748258 1331178276 /nfs/dbraw/zinc/17/82/76/1331178276.db2.gz WUDHGHAVDUVCIG-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942173952 1331860717 /nfs/dbraw/zinc/86/07/17/1331860717.db2.gz SPHZCOJYHBDTCY-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947310177 1333084718 /nfs/dbraw/zinc/08/47/18/1333084718.db2.gz MSGISMJWUFZVIG-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947362461 1333104169 /nfs/dbraw/zinc/10/41/69/1333104169.db2.gz XDKKWOKABLOMKQ-ZBFHGGJFSA-N 2 1 337.533 3.193 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947474085 1333142473 /nfs/dbraw/zinc/14/24/73/1333142473.db2.gz QGWREVRRANMNSY-DOTOQJQBSA-N 2 1 340.471 3.192 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CC1CCCCC1 ZINC000947498568 1333147790 /nfs/dbraw/zinc/14/77/90/1333147790.db2.gz WBHBBBPZIFXLKJ-HKUYNNGSSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC1CCCCCC1 ZINC000947684950 1333222949 /nfs/dbraw/zinc/22/29/49/1333222949.db2.gz KMOQIVQWHJEWOZ-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CCC(C)(C)C ZINC000947727543 1333242305 /nfs/dbraw/zinc/24/23/05/1333242305.db2.gz YXABLTAJFNQLFP-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CCC(C)(C)C ZINC000947727543 1333242307 /nfs/dbraw/zinc/24/23/07/1333242307.db2.gz YXABLTAJFNQLFP-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CCC(C)(C)C ZINC000947727543 1333242311 /nfs/dbraw/zinc/24/23/11/1333242311.db2.gz YXABLTAJFNQLFP-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1CC1CCC1 ZINC000947799775 1333265452 /nfs/dbraw/zinc/26/54/52/1333265452.db2.gz CSDYKAALFKDYER-OXJNMPFZSA-N 2 1 343.515 3.131 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1CC1CCC1 ZINC000947799777 1333265465 /nfs/dbraw/zinc/26/54/65/1333265465.db2.gz CSDYKAALFKDYER-OXQOHEQNSA-N 2 1 343.515 3.131 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)[C@@H](C)C2)CC1 ZINC000947882114 1333289973 /nfs/dbraw/zinc/28/99/73/1333289973.db2.gz OEERCOLWLSZEQA-PXNSSMCTSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC1CCCCCC1 ZINC000948040831 1333349822 /nfs/dbraw/zinc/34/98/22/1333349822.db2.gz UKLGVSCYBMQLTG-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1C/C=C\Cl ZINC000948055430 1333357160 /nfs/dbraw/zinc/35/71/60/1333357160.db2.gz BXJPLWVREQONQB-GQNHIRNISA-N 2 1 349.906 3.083 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1C/C=C\Cl ZINC000948065483 1333361835 /nfs/dbraw/zinc/36/18/35/1333361835.db2.gz JVKZJXQCTSWWAO-ULEBIONPSA-N 2 1 349.906 3.083 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC000948389468 1333504575 /nfs/dbraw/zinc/50/45/75/1333504575.db2.gz SCJAFXRGGNYPLN-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](CC3CCCCC3)CC2)CC[NH+]1C ZINC000948389468 1333504577 /nfs/dbraw/zinc/50/45/77/1333504577.db2.gz SCJAFXRGGNYPLN-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CC3CCCCC3)CC2)CC[NH+]1C ZINC000948389468 1333504580 /nfs/dbraw/zinc/50/45/80/1333504580.db2.gz SCJAFXRGGNYPLN-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000948416605 1333516614 /nfs/dbraw/zinc/51/66/14/1333516614.db2.gz JZHKBQDVEJLJAG-MRXNPFEDSA-N 2 1 337.533 3.145 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948435687 1333523499 /nfs/dbraw/zinc/52/34/99/1333523499.db2.gz NVMSQGJSLVDTEG-PMACEKPBSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435687 1333523501 /nfs/dbraw/zinc/52/35/01/1333523501.db2.gz NVMSQGJSLVDTEG-PMACEKPBSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435687 1333523504 /nfs/dbraw/zinc/52/35/04/1333523504.db2.gz NVMSQGJSLVDTEG-PMACEKPBSA-N 2 1 349.563 3.243 20 0 EGADMP CCCC[N@H+]1CCC[C@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948439492 1333525331 /nfs/dbraw/zinc/52/53/31/1333525331.db2.gz QMRATVXXUNBTFR-OALUTQOASA-N 2 1 337.552 3.362 20 0 EGADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948439492 1333525335 /nfs/dbraw/zinc/52/53/35/1333525335.db2.gz QMRATVXXUNBTFR-OALUTQOASA-N 2 1 337.552 3.362 20 0 EGADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948439492 1333525336 /nfs/dbraw/zinc/52/53/36/1333525336.db2.gz QMRATVXXUNBTFR-OALUTQOASA-N 2 1 337.552 3.362 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948439494 1333525692 /nfs/dbraw/zinc/52/56/92/1333525692.db2.gz QMRATVXXUNBTFR-RTBURBONSA-N 2 1 337.552 3.362 20 0 EGADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948439494 1333525694 /nfs/dbraw/zinc/52/56/94/1333525694.db2.gz QMRATVXXUNBTFR-RTBURBONSA-N 2 1 337.552 3.362 20 0 EGADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948439494 1333525697 /nfs/dbraw/zinc/52/56/97/1333525697.db2.gz QMRATVXXUNBTFR-RTBURBONSA-N 2 1 337.552 3.362 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000948553924 1333572185 /nfs/dbraw/zinc/57/21/85/1333572185.db2.gz OGRNYZLLUJNJTC-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC000948553924 1333572188 /nfs/dbraw/zinc/57/21/88/1333572188.db2.gz OGRNYZLLUJNJTC-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC000948553924 1333572189 /nfs/dbraw/zinc/57/21/89/1333572189.db2.gz OGRNYZLLUJNJTC-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620881 1333599949 /nfs/dbraw/zinc/59/99/49/1333599949.db2.gz KABXACCKPPVFSL-WBVHZDCISA-N 2 1 346.450 3.009 20 0 EGADMP CCC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000948643782 1333609772 /nfs/dbraw/zinc/60/97/72/1333609772.db2.gz ZITJQCKVMUDDBO-LJQANCHMSA-N 2 1 345.531 3.127 20 0 EGADMP CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000948706050 1333641034 /nfs/dbraw/zinc/64/10/34/1333641034.db2.gz SOPRZIDDITZZMT-PKOBYXMFSA-N 2 1 335.536 3.116 20 0 EGADMP CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000948706050 1333641039 /nfs/dbraw/zinc/64/10/39/1333641039.db2.gz SOPRZIDDITZZMT-PKOBYXMFSA-N 2 1 335.536 3.116 20 0 EGADMP CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000948706050 1333641042 /nfs/dbraw/zinc/64/10/42/1333641042.db2.gz SOPRZIDDITZZMT-PKOBYXMFSA-N 2 1 335.536 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000948755815 1333663778 /nfs/dbraw/zinc/66/37/78/1333663778.db2.gz MHLOLSDVGZLESC-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000948760219 1333665448 /nfs/dbraw/zinc/66/54/48/1333665448.db2.gz WBJDPHUMNGHSKF-FQEVSTJZSA-N 2 1 347.547 3.118 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000948767708 1333670541 /nfs/dbraw/zinc/67/05/41/1333670541.db2.gz ZOVJJMXNDGLJCW-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000948767708 1333670545 /nfs/dbraw/zinc/67/05/45/1333670545.db2.gz ZOVJJMXNDGLJCW-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000948767708 1333670549 /nfs/dbraw/zinc/67/05/49/1333670549.db2.gz ZOVJJMXNDGLJCW-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948772144 1333672313 /nfs/dbraw/zinc/67/23/13/1333672313.db2.gz UEMGLGCSEPOFID-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000948772144 1333672316 /nfs/dbraw/zinc/67/23/16/1333672316.db2.gz UEMGLGCSEPOFID-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000948772144 1333672320 /nfs/dbraw/zinc/67/23/20/1333672320.db2.gz UEMGLGCSEPOFID-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC000948775517 1333674892 /nfs/dbraw/zinc/67/48/92/1333674892.db2.gz KIOFNDJSODASOV-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC000948775517 1333674893 /nfs/dbraw/zinc/67/48/93/1333674893.db2.gz KIOFNDJSODASOV-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000948775517 1333674896 /nfs/dbraw/zinc/67/48/96/1333674896.db2.gz KIOFNDJSODASOV-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948851848 1333709502 /nfs/dbraw/zinc/70/95/02/1333709502.db2.gz CKODJRHPJXGPNR-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000949308378 1333820864 /nfs/dbraw/zinc/82/08/64/1333820864.db2.gz VSSVFTGWAHZWDE-QGZVFWFLSA-N 2 1 348.450 3.162 20 0 EGADMP CC[C@H](C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000950331519 1334043495 /nfs/dbraw/zinc/04/34/95/1334043495.db2.gz PYMDMNLFDGDKFZ-ZWKOTPCHSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1C[NH+](CCC2CCCCC2)C1 ZINC000951380571 1334235017 /nfs/dbraw/zinc/23/50/17/1334235017.db2.gz VUYNGXVNADYBCW-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000951628013 1334281598 /nfs/dbraw/zinc/28/15/98/1334281598.db2.gz FQLUVUIDYOWNNS-UXHICEINSA-N 2 1 345.531 3.038 20 0 EGADMP O=C([C@@H]1CCC[C@@H]2CCC[N@H+]21)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000951628013 1334281600 /nfs/dbraw/zinc/28/16/00/1334281600.db2.gz FQLUVUIDYOWNNS-UXHICEINSA-N 2 1 345.531 3.038 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC2CCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968330592 1335891577 /nfs/dbraw/zinc/89/15/77/1335891577.db2.gz BREUUJAAUGGNQW-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CCC2CCCC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000968330592 1335891579 /nfs/dbraw/zinc/89/15/79/1335891579.db2.gz BREUUJAAUGGNQW-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CCC2CCCC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000968330592 1335891581 /nfs/dbraw/zinc/89/15/81/1335891581.db2.gz BREUUJAAUGGNQW-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1cnc2cc(C(=O)NC[C@@H]3CCCCC[N@@H+]3CC(C)C)ccn12 ZINC000968858370 1336070988 /nfs/dbraw/zinc/07/09/88/1336070988.db2.gz CNAHBHBDZITWPU-SFHVURJKSA-N 2 1 342.487 3.273 20 0 EGADMP CC(C)=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968888080 1336080367 /nfs/dbraw/zinc/08/03/67/1336080367.db2.gz QTUZRFWAOKVBST-QZTJIDSGSA-N 2 1 344.503 3.088 20 0 EGADMP CC(C)=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968888080 1336080368 /nfs/dbraw/zinc/08/03/68/1336080368.db2.gz QTUZRFWAOKVBST-QZTJIDSGSA-N 2 1 344.503 3.088 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC000968904032 1336085357 /nfs/dbraw/zinc/08/53/57/1336085357.db2.gz HDOCECLNTJVFJL-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1=CCCCC1 ZINC000968920223 1336089223 /nfs/dbraw/zinc/08/92/23/1336089223.db2.gz RFEPPYUTGLWPOU-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC1=CCCCC1 ZINC000968920223 1336089227 /nfs/dbraw/zinc/08/92/27/1336089227.db2.gz RFEPPYUTGLWPOU-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1=CCCCC1 ZINC000968920223 1336089230 /nfs/dbraw/zinc/08/92/30/1336089230.db2.gz RFEPPYUTGLWPOU-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1=CCCCC1 ZINC000968920223 1336089233 /nfs/dbraw/zinc/08/92/33/1336089233.db2.gz RFEPPYUTGLWPOU-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CC1 ZINC000969059094 1336133077 /nfs/dbraw/zinc/13/30/77/1336133077.db2.gz FWBGZONBCRLPBS-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CC1 ZINC000969059094 1336133078 /nfs/dbraw/zinc/13/30/78/1336133078.db2.gz FWBGZONBCRLPBS-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CC1 ZINC000969059094 1336133080 /nfs/dbraw/zinc/13/30/80/1336133080.db2.gz FWBGZONBCRLPBS-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC=C(C)C ZINC000969156243 1336164874 /nfs/dbraw/zinc/16/48/74/1336164874.db2.gz NYBCLMYLLWAIML-OALUTQOASA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC=C(C)C ZINC000969156243 1336164876 /nfs/dbraw/zinc/16/48/76/1336164876.db2.gz NYBCLMYLLWAIML-OALUTQOASA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC=C(C)C ZINC000969156243 1336164878 /nfs/dbraw/zinc/16/48/78/1336164878.db2.gz NYBCLMYLLWAIML-OALUTQOASA-N 2 1 335.536 3.188 20 0 EGADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000969699627 1336237953 /nfs/dbraw/zinc/23/79/53/1336237953.db2.gz LTMCCTFOYMKMAM-SQGPQFPESA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000969699622 1336238027 /nfs/dbraw/zinc/23/80/27/1336238027.db2.gz LTMCCTFOYMKMAM-MBOZVWFJSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CC3CCCCCC3)C2)CC[N@H+]1C ZINC000969707706 1336238656 /nfs/dbraw/zinc/23/86/56/1336238656.db2.gz XDKBHUVHOBOXPH-LSTHTHJFSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC000969968825 1336267532 /nfs/dbraw/zinc/26/75/32/1336267532.db2.gz LACJMRSRICEOFK-APWZRJJASA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001005991897 1336435622 /nfs/dbraw/zinc/43/56/22/1336435622.db2.gz QGGBTBURZBIWOP-MSOLQXFVSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001006082808 1336449240 /nfs/dbraw/zinc/44/92/40/1336449240.db2.gz BLZUNAAHVQXHRK-LJQANCHMSA-N 2 1 335.536 3.138 20 0 EGADMP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001006084109 1336449957 /nfs/dbraw/zinc/44/99/57/1336449957.db2.gz MUUUQNFEKVGQFJ-HKUYNNGSSA-N 2 1 337.552 3.218 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2CCC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001008278258 1336812793 /nfs/dbraw/zinc/81/27/93/1336812793.db2.gz WUQGCAWSGDKCCQ-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CC2CCC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001008278258 1336812796 /nfs/dbraw/zinc/81/27/96/1336812796.db2.gz WUQGCAWSGDKCCQ-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CC2CCC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001008278258 1336812798 /nfs/dbraw/zinc/81/27/98/1336812798.db2.gz WUQGCAWSGDKCCQ-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008278788 1336813089 /nfs/dbraw/zinc/81/30/89/1336813089.db2.gz YPYCITWDUBAVTD-QUCCMNQESA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008278788 1336813092 /nfs/dbraw/zinc/81/30/92/1336813092.db2.gz YPYCITWDUBAVTD-QUCCMNQESA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008278788 1336813094 /nfs/dbraw/zinc/81/30/94/1336813094.db2.gz YPYCITWDUBAVTD-QUCCMNQESA-N 2 1 347.547 3.330 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c(F)cccc2Br)CCC[C@H]1C[NH3+] ZINC001205996189 1370933473 /nfs/dbraw/zinc/93/34/73/1370933473.db2.gz VUJMDDFQFJSMLR-RYUDHWBXSA-N 2 1 329.257 3.395 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001008402356 1336843392 /nfs/dbraw/zinc/84/33/92/1336843392.db2.gz AYRRZSPCWOGCAM-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001008529275 1336876689 /nfs/dbraw/zinc/87/66/89/1336876689.db2.gz FLVSTPNJFSDBMP-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001008529275 1336876692 /nfs/dbraw/zinc/87/66/92/1336876692.db2.gz FLVSTPNJFSDBMP-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001008529275 1336876695 /nfs/dbraw/zinc/87/66/95/1336876695.db2.gz FLVSTPNJFSDBMP-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001008536972 1336877380 /nfs/dbraw/zinc/87/73/80/1336877380.db2.gz CCQJGDCDCLYMAP-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001008536972 1336877384 /nfs/dbraw/zinc/87/73/84/1336877384.db2.gz CCQJGDCDCLYMAP-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001008536972 1336877389 /nfs/dbraw/zinc/87/73/89/1336877389.db2.gz CCQJGDCDCLYMAP-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001008749973 1336919878 /nfs/dbraw/zinc/91/98/78/1336919878.db2.gz SXCXMFSWCOQLDL-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001008773067 1336924552 /nfs/dbraw/zinc/92/45/52/1336924552.db2.gz YGTAGJYBGNLOBU-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008773067 1336924554 /nfs/dbraw/zinc/92/45/54/1336924554.db2.gz YGTAGJYBGNLOBU-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001008773067 1336924557 /nfs/dbraw/zinc/92/45/57/1336924557.db2.gz YGTAGJYBGNLOBU-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+](CC3CCCC3)C2)c1 ZINC001009611200 1337046682 /nfs/dbraw/zinc/04/66/82/1337046682.db2.gz OFLKMFJTRSHXIZ-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014415563 1337771342 /nfs/dbraw/zinc/77/13/42/1337771342.db2.gz VMLOZZKVMFBHNC-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001014415563 1337771348 /nfs/dbraw/zinc/77/13/48/1337771348.db2.gz VMLOZZKVMFBHNC-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001014415563 1337771350 /nfs/dbraw/zinc/77/13/50/1337771350.db2.gz VMLOZZKVMFBHNC-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001014720294 1337882680 /nfs/dbraw/zinc/88/26/80/1337882680.db2.gz CRKFHIBQIOOEGQ-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001014720294 1337882683 /nfs/dbraw/zinc/88/26/83/1337882683.db2.gz CRKFHIBQIOOEGQ-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001014720294 1337882684 /nfs/dbraw/zinc/88/26/84/1337882684.db2.gz CRKFHIBQIOOEGQ-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001014721163 1337883123 /nfs/dbraw/zinc/88/31/23/1337883123.db2.gz IJGAYPFXEMNSSC-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001014721163 1337883125 /nfs/dbraw/zinc/88/31/25/1337883125.db2.gz IJGAYPFXEMNSSC-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001014721163 1337883131 /nfs/dbraw/zinc/88/31/31/1337883131.db2.gz IJGAYPFXEMNSSC-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014723021 1337884768 /nfs/dbraw/zinc/88/47/68/1337884768.db2.gz NYHAIJCUTZAPIF-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001014723021 1337884771 /nfs/dbraw/zinc/88/47/71/1337884771.db2.gz NYHAIJCUTZAPIF-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001014723021 1337884775 /nfs/dbraw/zinc/88/47/75/1337884775.db2.gz NYHAIJCUTZAPIF-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC1(C)CC(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001014728064 1337888652 /nfs/dbraw/zinc/88/86/52/1337888652.db2.gz KNOYNUOKMXVPRE-PKOBYXMFSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001014728064 1337888657 /nfs/dbraw/zinc/88/86/57/1337888657.db2.gz KNOYNUOKMXVPRE-PKOBYXMFSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001014728064 1337888660 /nfs/dbraw/zinc/88/86/60/1337888660.db2.gz KNOYNUOKMXVPRE-PKOBYXMFSA-N 2 1 347.547 3.020 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014964729 1337970466 /nfs/dbraw/zinc/97/04/66/1337970466.db2.gz RHHGUFNLNXOPSO-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001014964729 1337970467 /nfs/dbraw/zinc/97/04/67/1337970467.db2.gz RHHGUFNLNXOPSO-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001014964729 1337970470 /nfs/dbraw/zinc/97/04/70/1337970470.db2.gz RHHGUFNLNXOPSO-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001015291386 1338086509 /nfs/dbraw/zinc/08/65/09/1338086509.db2.gz QZXBFCHMVRHTLW-QFBILLFUSA-N 2 1 348.450 3.208 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603733 1338204388 /nfs/dbraw/zinc/20/43/88/1338204388.db2.gz XIPQMYLQRKMPDL-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603733 1338204392 /nfs/dbraw/zinc/20/43/92/1338204392.db2.gz XIPQMYLQRKMPDL-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603733 1338204395 /nfs/dbraw/zinc/20/43/95/1338204395.db2.gz XIPQMYLQRKMPDL-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CCC3CCCCCC3)C2)CC[N@H+]1C ZINC001015614957 1338209038 /nfs/dbraw/zinc/20/90/38/1338209038.db2.gz HTSVBZPWOQXGOQ-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CCC3CCCCCC3)C2)CC[NH+]1C ZINC001015614957 1338209042 /nfs/dbraw/zinc/20/90/42/1338209042.db2.gz HTSVBZPWOQXGOQ-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCC3CCCCCC3)C2)CC[NH+]1C ZINC001015614957 1338209044 /nfs/dbraw/zinc/20/90/44/1338209044.db2.gz HTSVBZPWOQXGOQ-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001015795418 1338314734 /nfs/dbraw/zinc/31/47/34/1338314734.db2.gz OYLLIOJCAXURRA-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCCC3CCC3)C2)cc1 ZINC001015858353 1338335965 /nfs/dbraw/zinc/33/59/65/1338335965.db2.gz ODFGGCULDSHXHT-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001015973933 1338386370 /nfs/dbraw/zinc/38/63/70/1338386370.db2.gz VAWIOQZGHAETSZ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001015973933 1338386375 /nfs/dbraw/zinc/38/63/75/1338386375.db2.gz VAWIOQZGHAETSZ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001015973933 1338386377 /nfs/dbraw/zinc/38/63/77/1338386377.db2.gz VAWIOQZGHAETSZ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001015974772 1338386970 /nfs/dbraw/zinc/38/69/70/1338386970.db2.gz HVTBZXQNSTVGHX-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001015974772 1338386972 /nfs/dbraw/zinc/38/69/72/1338386972.db2.gz HVTBZXQNSTVGHX-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001015974772 1338386975 /nfs/dbraw/zinc/38/69/75/1338386975.db2.gz HVTBZXQNSTVGHX-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001016338994 1338555988 /nfs/dbraw/zinc/55/59/88/1338555988.db2.gz MTPDIJYGDTXQCZ-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001016338994 1338556001 /nfs/dbraw/zinc/55/60/01/1338556001.db2.gz MTPDIJYGDTXQCZ-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001016338994 1338556004 /nfs/dbraw/zinc/55/60/04/1338556004.db2.gz MTPDIJYGDTXQCZ-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016651415 1338679204 /nfs/dbraw/zinc/67/92/04/1338679204.db2.gz HHWNPHCNNVZGPO-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016660791 1338682105 /nfs/dbraw/zinc/68/21/05/1338682105.db2.gz BHIORCLZNDRQNH-RTBURBONSA-N 2 1 347.547 3.164 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCCC1CCC1)CC2 ZINC001016686906 1338689930 /nfs/dbraw/zinc/68/99/30/1338689930.db2.gz DQXUPGQDYDFRIL-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016862485 1338751535 /nfs/dbraw/zinc/75/15/35/1338751535.db2.gz ZZWJYTVDSGARAT-RTBURBONSA-N 2 1 347.547 3.186 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC)CC2 ZINC001016924420 1338771495 /nfs/dbraw/zinc/77/14/95/1338771495.db2.gz WVQFBEUWEZIZSD-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H](C[NH+](C)CC2CCC2)C1 ZINC001017143734 1338895053 /nfs/dbraw/zinc/89/50/53/1338895053.db2.gz YWRMFLFLSSQBHY-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001017143734 1338895058 /nfs/dbraw/zinc/89/50/58/1338895058.db2.gz YWRMFLFLSSQBHY-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017143734 1338895064 /nfs/dbraw/zinc/89/50/64/1338895064.db2.gz YWRMFLFLSSQBHY-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001017246057 1338976873 /nfs/dbraw/zinc/97/68/73/1338976873.db2.gz LOQGOIRUJKPLCZ-NQIIRXRSSA-N 2 1 345.531 3.042 20 0 EGADMP C[N@@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001017249278 1338979817 /nfs/dbraw/zinc/97/98/17/1338979817.db2.gz AJWYEDSMWIIIHL-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001017249278 1338979820 /nfs/dbraw/zinc/97/98/20/1338979820.db2.gz AJWYEDSMWIIIHL-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001017249278 1338979824 /nfs/dbraw/zinc/97/98/24/1338979824.db2.gz AJWYEDSMWIIIHL-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)C(C)C)C1)[NH+]1CCCCC1 ZINC001017265906 1338991248 /nfs/dbraw/zinc/99/12/48/1338991248.db2.gz GTYJIMCWBWLQBL-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001018873521 1339741230 /nfs/dbraw/zinc/74/12/30/1339741230.db2.gz SUHKKFRCESPAMN-AEFFLSMTSA-N 2 1 346.519 3.167 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001028088677 1340417774 /nfs/dbraw/zinc/41/77/74/1340417774.db2.gz NQAIJSDGFHBACP-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC2=CCCCC2)C1 ZINC001028088677 1340417778 /nfs/dbraw/zinc/41/77/78/1340417778.db2.gz NQAIJSDGFHBACP-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC2=CCCCC2)C1 ZINC001028088677 1340417783 /nfs/dbraw/zinc/41/77/83/1340417783.db2.gz NQAIJSDGFHBACP-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093306 1340421180 /nfs/dbraw/zinc/42/11/80/1340421180.db2.gz JTUYOMBFGSVUMH-RTBURBONSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093306 1340421182 /nfs/dbraw/zinc/42/11/82/1340421182.db2.gz JTUYOMBFGSVUMH-RTBURBONSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093306 1340421185 /nfs/dbraw/zinc/42/11/85/1340421185.db2.gz JTUYOMBFGSVUMH-RTBURBONSA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093642 1340421501 /nfs/dbraw/zinc/42/15/01/1340421501.db2.gz MWFWXGDYNOOHGT-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093642 1340421502 /nfs/dbraw/zinc/42/15/02/1340421502.db2.gz MWFWXGDYNOOHGT-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093642 1340421504 /nfs/dbraw/zinc/42/15/04/1340421504.db2.gz MWFWXGDYNOOHGT-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCC(C)(C)C)cc1 ZINC001028202957 1340481891 /nfs/dbraw/zinc/48/18/91/1340481891.db2.gz LJEZMALRLYYGLD-IBGZPJMESA-N 2 1 345.531 3.379 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1csc(C)c1 ZINC001028334980 1340572178 /nfs/dbraw/zinc/57/21/78/1340572178.db2.gz LZINEORPGHROQU-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1csc(C)c1 ZINC001028334980 1340572183 /nfs/dbraw/zinc/57/21/83/1340572183.db2.gz LZINEORPGHROQU-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1csc(C)c1 ZINC001028334980 1340572187 /nfs/dbraw/zinc/57/21/87/1340572187.db2.gz LZINEORPGHROQU-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028661137 1340746206 /nfs/dbraw/zinc/74/62/06/1340746206.db2.gz GDGYNZAWSSGXSX-IAGOWNOFSA-N 2 1 348.450 3.147 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001028846075 1340857788 /nfs/dbraw/zinc/85/77/88/1340857788.db2.gz XETCHVRLUVAMGM-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001028846075 1340857790 /nfs/dbraw/zinc/85/77/90/1340857790.db2.gz XETCHVRLUVAMGM-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001028846075 1340857791 /nfs/dbraw/zinc/85/77/91/1340857791.db2.gz XETCHVRLUVAMGM-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001028918364 1340883472 /nfs/dbraw/zinc/88/34/72/1340883472.db2.gz GBLUXFNJYJHVQR-RBUKOAKNSA-N 2 1 335.536 3.045 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001028918364 1340883473 /nfs/dbraw/zinc/88/34/73/1340883473.db2.gz GBLUXFNJYJHVQR-RBUKOAKNSA-N 2 1 335.536 3.045 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001028918364 1340883474 /nfs/dbraw/zinc/88/34/74/1340883474.db2.gz GBLUXFNJYJHVQR-RBUKOAKNSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001029146005 1340942707 /nfs/dbraw/zinc/94/27/07/1340942707.db2.gz GQJULGOQATUDOM-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001029330283 1340972965 /nfs/dbraw/zinc/97/29/65/1340972965.db2.gz KHVKGNOSSMBBPM-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001029330283 1340972966 /nfs/dbraw/zinc/97/29/66/1340972966.db2.gz KHVKGNOSSMBBPM-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001029330283 1340972967 /nfs/dbraw/zinc/97/29/67/1340972967.db2.gz KHVKGNOSSMBBPM-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@@H+](CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1)C1CCC1 ZINC001029339666 1340974216 /nfs/dbraw/zinc/97/42/16/1340974216.db2.gz CAEORTLFDFQYBP-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1)C1CCC1 ZINC001029339666 1340974218 /nfs/dbraw/zinc/97/42/18/1340974218.db2.gz CAEORTLFDFQYBP-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1)C1CCC1 ZINC001029339666 1340974220 /nfs/dbraw/zinc/97/42/20/1340974220.db2.gz CAEORTLFDFQYBP-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)CC ZINC001029550188 1341010862 /nfs/dbraw/zinc/01/08/62/1341010862.db2.gz DDALTRVTIBASAZ-VNTMZGSJSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)CC ZINC001029550188 1341010863 /nfs/dbraw/zinc/01/08/63/1341010863.db2.gz DDALTRVTIBASAZ-VNTMZGSJSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001029550188 1341010864 /nfs/dbraw/zinc/01/08/64/1341010864.db2.gz DDALTRVTIBASAZ-VNTMZGSJSA-N 2 1 349.563 3.362 20 0 EGADMP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCCC1 ZINC001029585045 1341016898 /nfs/dbraw/zinc/01/68/98/1341016898.db2.gz OJIVQWKMANUFDM-BGYRXZFFSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001029755014 1341064385 /nfs/dbraw/zinc/06/43/85/1341064385.db2.gz HHWATEPXMCRPBJ-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029755014 1341064386 /nfs/dbraw/zinc/06/43/86/1341064386.db2.gz HHWATEPXMCRPBJ-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029755014 1341064387 /nfs/dbraw/zinc/06/43/87/1341064387.db2.gz HHWATEPXMCRPBJ-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001029976190 1341141201 /nfs/dbraw/zinc/14/12/01/1341141201.db2.gz GZBRORYYTUJECU-UHFFFAOYSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+](C)CC1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001029976190 1341141202 /nfs/dbraw/zinc/14/12/02/1341141202.db2.gz GZBRORYYTUJECU-UHFFFAOYSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+](C)CC1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001029976190 1341141203 /nfs/dbraw/zinc/14/12/03/1341141203.db2.gz GZBRORYYTUJECU-UHFFFAOYSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC(C[N@@H+](C)CC2=CCCCC2)CC1)[NH+](C)C ZINC001029992637 1341149357 /nfs/dbraw/zinc/14/93/57/1341149357.db2.gz FOKKTPKJVCZKEQ-HXUWFJFHSA-N 2 1 349.563 3.243 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001030033524 1341162422 /nfs/dbraw/zinc/16/24/22/1341162422.db2.gz MHEZMIBSLXNZRR-HNJRGHQBSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001030033524 1341162423 /nfs/dbraw/zinc/16/24/23/1341162423.db2.gz MHEZMIBSLXNZRR-HNJRGHQBSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001030033524 1341162424 /nfs/dbraw/zinc/16/24/24/1341162424.db2.gz MHEZMIBSLXNZRR-HNJRGHQBSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001030595046 1341199670 /nfs/dbraw/zinc/19/96/70/1341199670.db2.gz YICAZDWMOJZFNQ-IBGZPJMESA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001030595046 1341199671 /nfs/dbraw/zinc/19/96/71/1341199671.db2.gz YICAZDWMOJZFNQ-IBGZPJMESA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCCCC2)C1 ZINC001031802621 1341403818 /nfs/dbraw/zinc/40/38/18/1341403818.db2.gz TYBUQZWFGUPCDF-FQEVSTJZSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](CCC3=CCCCC3)C2)C1 ZINC001031919139 1341421963 /nfs/dbraw/zinc/42/19/63/1341421963.db2.gz MRVWPZMKIILSNN-FQEVSTJZSA-N 2 1 347.547 3.047 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCCC2CCC2)C1 ZINC001032118969 1341458664 /nfs/dbraw/zinc/45/86/64/1341458664.db2.gz CCXWTFZZIAMJAE-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCC(C)(C)C)C1 ZINC001032119144 1341458699 /nfs/dbraw/zinc/45/86/99/1341458699.db2.gz HAEQXYXBXFBKLQ-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCCCCC1)C1CCC1 ZINC001032448509 1341513429 /nfs/dbraw/zinc/51/34/29/1341513429.db2.gz RGPHXQASEXLGAN-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCCC1)C1CCC1 ZINC001032448509 1341513431 /nfs/dbraw/zinc/51/34/31/1341513431.db2.gz RGPHXQASEXLGAN-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCCCC1)C1CCC1 ZINC001032448509 1341513433 /nfs/dbraw/zinc/51/34/33/1341513433.db2.gz RGPHXQASEXLGAN-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001032813243 1341624484 /nfs/dbraw/zinc/62/44/84/1341624484.db2.gz ZRUAXINTDQOZTO-IKGGRYGDSA-N 2 1 347.503 3.066 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001033075240 1341716496 /nfs/dbraw/zinc/71/64/96/1341716496.db2.gz DOFCMUUWOKHCGY-QGZVFWFLSA-N 2 1 349.544 3.045 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001033075240 1341716497 /nfs/dbraw/zinc/71/64/97/1341716497.db2.gz DOFCMUUWOKHCGY-QGZVFWFLSA-N 2 1 349.544 3.045 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033125185 1341733148 /nfs/dbraw/zinc/73/31/48/1341733148.db2.gz AIPVZRZLLUTGLK-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033125185 1341733149 /nfs/dbraw/zinc/73/31/49/1341733149.db2.gz AIPVZRZLLUTGLK-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033125185 1341733150 /nfs/dbraw/zinc/73/31/50/1341733150.db2.gz AIPVZRZLLUTGLK-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366433 1341797739 /nfs/dbraw/zinc/79/77/39/1341797739.db2.gz XJZCIYOYPPIRGO-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033366433 1341797740 /nfs/dbraw/zinc/79/77/40/1341797740.db2.gz XJZCIYOYPPIRGO-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033366433 1341797741 /nfs/dbraw/zinc/79/77/41/1341797741.db2.gz XJZCIYOYPPIRGO-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033416737 1341820951 /nfs/dbraw/zinc/82/09/51/1341820951.db2.gz RGHXWTVAKFTKFZ-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001033416737 1341820952 /nfs/dbraw/zinc/82/09/52/1341820952.db2.gz RGHXWTVAKFTKFZ-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001033416737 1341820953 /nfs/dbraw/zinc/82/09/53/1341820953.db2.gz RGHXWTVAKFTKFZ-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001033468414 1341838449 /nfs/dbraw/zinc/83/84/49/1341838449.db2.gz ZFWMFYDBEPMCAN-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP CC1CCC(C[N@H+]2CC[C@@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001033473512 1341840751 /nfs/dbraw/zinc/84/07/51/1341840751.db2.gz ALKVWOAGVJSJRN-LYBXBRPPSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CCC(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001033530658 1341860174 /nfs/dbraw/zinc/86/01/74/1341860174.db2.gz FJANPYISWJVCOZ-LYBXBRPPSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](CCC3CCCCC3)C2)CC1 ZINC001033532978 1341861466 /nfs/dbraw/zinc/86/14/66/1341861466.db2.gz WVWFAQCIOMVVBN-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033572593 1341878379 /nfs/dbraw/zinc/87/83/79/1341878379.db2.gz VQTWZLFBGADPIB-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CCC3CCCC3)C2)CC[N@H+]1C ZINC001033834433 1342034280 /nfs/dbraw/zinc/03/42/80/1342034280.db2.gz GGBDKVMUFVMZBG-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](CCC3CCCC3)C2)CC[NH+]1C ZINC001033834433 1342034283 /nfs/dbraw/zinc/03/42/83/1342034283.db2.gz GGBDKVMUFVMZBG-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](CCC3CCCC3)C2)CC[NH+]1C ZINC001033834433 1342034286 /nfs/dbraw/zinc/03/42/86/1342034286.db2.gz GGBDKVMUFVMZBG-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCCC2)C1 ZINC001034132253 1342261026 /nfs/dbraw/zinc/26/10/26/1342261026.db2.gz QJJAINGXSYIOFF-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CCCCC2)C1 ZINC001034132253 1342261028 /nfs/dbraw/zinc/26/10/28/1342261028.db2.gz QJJAINGXSYIOFF-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001034132253 1342261032 /nfs/dbraw/zinc/26/10/32/1342261032.db2.gz QJJAINGXSYIOFF-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210610 1342320467 /nfs/dbraw/zinc/32/04/67/1342320467.db2.gz IFJQQJLOGGADHT-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210610 1342320471 /nfs/dbraw/zinc/32/04/71/1342320471.db2.gz IFJQQJLOGGADHT-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210610 1342320472 /nfs/dbraw/zinc/32/04/72/1342320472.db2.gz IFJQQJLOGGADHT-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC(CC)CC)C1 ZINC001034239206 1342340426 /nfs/dbraw/zinc/34/04/26/1342340426.db2.gz JBAWOOALEWJISB-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC(CC)CC)C1 ZINC001034239206 1342340428 /nfs/dbraw/zinc/34/04/28/1342340428.db2.gz JBAWOOALEWJISB-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC(CC)CC)C1 ZINC001034239206 1342340430 /nfs/dbraw/zinc/34/04/30/1342340430.db2.gz JBAWOOALEWJISB-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001034240133 1342341315 /nfs/dbraw/zinc/34/13/15/1342341315.db2.gz POMDEUUMYPRUKH-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001034240133 1342341316 /nfs/dbraw/zinc/34/13/16/1342341316.db2.gz POMDEUUMYPRUKH-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001034240133 1342341321 /nfs/dbraw/zinc/34/13/21/1342341321.db2.gz POMDEUUMYPRUKH-UXHICEINSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034240507 1342341693 /nfs/dbraw/zinc/34/16/93/1342341693.db2.gz QMVSHQJAQJIWDZ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034240507 1342341697 /nfs/dbraw/zinc/34/16/97/1342341697.db2.gz QMVSHQJAQJIWDZ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034240507 1342341701 /nfs/dbraw/zinc/34/17/01/1342341701.db2.gz QMVSHQJAQJIWDZ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034248559 1342346422 /nfs/dbraw/zinc/34/64/22/1342346422.db2.gz DKXNVCVNKCGKHC-OALUTQOASA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034248559 1342346427 /nfs/dbraw/zinc/34/64/27/1342346427.db2.gz DKXNVCVNKCGKHC-OALUTQOASA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034248559 1342346430 /nfs/dbraw/zinc/34/64/30/1342346430.db2.gz DKXNVCVNKCGKHC-OALUTQOASA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034248567 1342347040 /nfs/dbraw/zinc/34/70/40/1342347040.db2.gz DLZQCVRBTLKBCU-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034248567 1342347041 /nfs/dbraw/zinc/34/70/41/1342347041.db2.gz DLZQCVRBTLKBCU-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034248567 1342347042 /nfs/dbraw/zinc/34/70/42/1342347042.db2.gz DLZQCVRBTLKBCU-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034269410 1342360286 /nfs/dbraw/zinc/36/02/86/1342360286.db2.gz DCTXUZGUHYMRRK-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034269410 1342360288 /nfs/dbraw/zinc/36/02/88/1342360288.db2.gz DCTXUZGUHYMRRK-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCCCC2)C1 ZINC001034269410 1342360289 /nfs/dbraw/zinc/36/02/89/1342360289.db2.gz DCTXUZGUHYMRRK-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCCC2)C1 ZINC001034269410 1342360291 /nfs/dbraw/zinc/36/02/91/1342360291.db2.gz DCTXUZGUHYMRRK-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](CCC2CCCCC2)C1 ZINC001034310013 1342392454 /nfs/dbraw/zinc/39/24/54/1342392454.db2.gz RSENBOKZOWJYSR-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001034310013 1342392458 /nfs/dbraw/zinc/39/24/58/1342392458.db2.gz RSENBOKZOWJYSR-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034331632 1342406054 /nfs/dbraw/zinc/40/60/54/1342406054.db2.gz UORBRNVXMHVIMK-LJQANCHMSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCCC[N@@H+](CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001034340632 1342414420 /nfs/dbraw/zinc/41/44/20/1342414420.db2.gz RYPQFJGQBINKDR-LJQANCHMSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034359945 1342431417 /nfs/dbraw/zinc/43/14/17/1342431417.db2.gz DJJNPGFMQUTEPL-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034359945 1342431420 /nfs/dbraw/zinc/43/14/20/1342431420.db2.gz DJJNPGFMQUTEPL-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034359945 1342431422 /nfs/dbraw/zinc/43/14/22/1342431422.db2.gz DJJNPGFMQUTEPL-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034378574 1342448087 /nfs/dbraw/zinc/44/80/87/1342448087.db2.gz VOZICKZWTDQQRW-FXAWDEMLSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001034393672 1342462358 /nfs/dbraw/zinc/46/23/58/1342462358.db2.gz GWHNKOWUKBCZJM-ICSRJNTNSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001034393672 1342462360 /nfs/dbraw/zinc/46/23/60/1342462360.db2.gz GWHNKOWUKBCZJM-ICSRJNTNSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001034393672 1342462362 /nfs/dbraw/zinc/46/23/62/1342462362.db2.gz GWHNKOWUKBCZJM-ICSRJNTNSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034400204 1342466823 /nfs/dbraw/zinc/46/68/23/1342466823.db2.gz WYAQEXRYCGVTET-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](CC2CCCCCC2)C1 ZINC001034400204 1342466825 /nfs/dbraw/zinc/46/68/25/1342466825.db2.gz WYAQEXRYCGVTET-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](CC2CCCCCC2)C1 ZINC001034400204 1342466833 /nfs/dbraw/zinc/46/68/33/1342466833.db2.gz WYAQEXRYCGVTET-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034438999 1342501473 /nfs/dbraw/zinc/50/14/73/1342501473.db2.gz REQGBCKDVWQTJT-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034438999 1342501477 /nfs/dbraw/zinc/50/14/77/1342501477.db2.gz REQGBCKDVWQTJT-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034438999 1342501478 /nfs/dbraw/zinc/50/14/78/1342501478.db2.gz REQGBCKDVWQTJT-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444514 1342504403 /nfs/dbraw/zinc/50/44/03/1342504403.db2.gz HSNSQQNSKJLMGS-APWZRJJASA-N 2 1 349.494 3.081 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](CCCC2CCC2)C1)[C@@]12CC[NH+](C1)CCC2 ZINC001034510345 1342569013 /nfs/dbraw/zinc/56/90/13/1342569013.db2.gz IFOOLPWAQSOYJN-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(N[C@@H]1CCCC[NH+](CCCC2CCC2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001034510345 1342569018 /nfs/dbraw/zinc/56/90/18/1342569018.db2.gz IFOOLPWAQSOYJN-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(N[C@@H]1CCCC[NH+](CCCC2CCC2)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001034510345 1342569021 /nfs/dbraw/zinc/56/90/21/1342569021.db2.gz IFOOLPWAQSOYJN-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCCC[N@@H+](CCC3CC3)C2)c1 ZINC001034536326 1342592547 /nfs/dbraw/zinc/59/25/47/1342592547.db2.gz FHEIEONGSYEBFF-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034538316 1342597000 /nfs/dbraw/zinc/59/70/00/1342597000.db2.gz LNTRRPCEONJFRE-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034538316 1342597005 /nfs/dbraw/zinc/59/70/05/1342597005.db2.gz LNTRRPCEONJFRE-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034538316 1342597006 /nfs/dbraw/zinc/59/70/06/1342597006.db2.gz LNTRRPCEONJFRE-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCCC3)CC2)CC[N@H+]1C ZINC001034648180 1342669602 /nfs/dbraw/zinc/66/96/02/1342669602.db2.gz ZHSCZYAKMWEXFB-VBSBHUPXSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001034735407 1342729360 /nfs/dbraw/zinc/72/93/60/1342729360.db2.gz GRNSNJVIMWKCIP-MISYRCLQSA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1 ZINC001034830359 1342791542 /nfs/dbraw/zinc/79/15/42/1342791542.db2.gz VQUOXRBCOOHCLM-HXUWFJFHSA-N 2 1 343.515 3.065 20 0 EGADMP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C(C)C)cs1 ZINC001034936134 1342843364 /nfs/dbraw/zinc/84/33/64/1342843364.db2.gz KKHVRMOMXROUAT-MSOLQXFVSA-N 2 1 349.544 3.010 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001034972730 1342858847 /nfs/dbraw/zinc/85/88/47/1342858847.db2.gz IFFWBJCPFVVDSK-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC2(CC[NH+](CCC(C)(C)C)C2)CC1 ZINC001035227392 1343048441 /nfs/dbraw/zinc/04/84/41/1343048441.db2.gz QMKLZEKGKVRPOR-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC2(CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001035227392 1343048450 /nfs/dbraw/zinc/04/84/50/1343048450.db2.gz QMKLZEKGKVRPOR-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC2(CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001035227392 1343048452 /nfs/dbraw/zinc/04/84/52/1343048452.db2.gz QMKLZEKGKVRPOR-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+](CCC(C)(C)C)C3)CC2)CC[N@H+]1C ZINC001035710722 1343145566 /nfs/dbraw/zinc/14/55/66/1343145566.db2.gz PRIVXLJAWVDFIO-ZWKOTPCHSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035721634 1343151853 /nfs/dbraw/zinc/15/18/53/1343151853.db2.gz XOCXJQXVZUAVDG-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)CC2 ZINC001035737069 1343161947 /nfs/dbraw/zinc/16/19/47/1343161947.db2.gz QRIJGRZEZFUKLP-UHFFFAOYSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001036193343 1343356728 /nfs/dbraw/zinc/35/67/28/1343356728.db2.gz MKNHYQAUTZROOJ-PKOBYXMFSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001036408680 1343469751 /nfs/dbraw/zinc/46/97/51/1343469751.db2.gz FYTNGPQNSDXECT-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1[NH2+]CC1CCC1 ZINC001037923277 1344183240 /nfs/dbraw/zinc/18/32/40/1344183240.db2.gz AVAIOJHKFQHNAQ-ROUUACIJSA-N 2 1 346.519 3.023 20 0 EGADMP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1[NH2+]C(C)C ZINC001037937382 1344191352 /nfs/dbraw/zinc/19/13/52/1344191352.db2.gz WJZOUVLKWBWMHW-SJORKVTESA-N 2 1 334.508 3.022 20 0 EGADMP CC1(C)CC(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001038348900 1344391380 /nfs/dbraw/zinc/39/13/80/1344391380.db2.gz DMKGFDZFTPLKBA-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC(C[NH+]2CC[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001038348900 1344391385 /nfs/dbraw/zinc/39/13/85/1344391385.db2.gz DMKGFDZFTPLKBA-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC(C[NH+]2CC[C@H]2CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001038348900 1344391390 /nfs/dbraw/zinc/39/13/90/1344391390.db2.gz DMKGFDZFTPLKBA-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CCC1CCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038352510 1344392557 /nfs/dbraw/zinc/39/25/57/1344392557.db2.gz ICXTXOCCMFRREG-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CCC1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038352510 1344392560 /nfs/dbraw/zinc/39/25/60/1344392560.db2.gz ICXTXOCCMFRREG-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CCC1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038352510 1344392563 /nfs/dbraw/zinc/39/25/63/1344392563.db2.gz ICXTXOCCMFRREG-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038462439 1344434592 /nfs/dbraw/zinc/43/45/92/1344434592.db2.gz LRNXJBKNTUYLKC-FUHWJXTLSA-N 2 1 348.450 3.208 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CCC1=CCCCC1)c1ccc2c[nH+]cn2c1 ZINC001038519589 1344462975 /nfs/dbraw/zinc/46/29/75/1344462975.db2.gz LRFXZCZBYFPMDJ-IBGZPJMESA-N 2 1 338.455 3.029 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038521442 1344464116 /nfs/dbraw/zinc/46/41/16/1344464116.db2.gz XSLIBQADLLUYDT-WOJBJXKFSA-N 2 1 348.450 3.290 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCC2CCCCC2)C1 ZINC001038625927 1344510257 /nfs/dbraw/zinc/51/02/57/1344510257.db2.gz SVSNDDSGHKQIBR-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCC2CCCCC2)C1 ZINC001038625927 1344510259 /nfs/dbraw/zinc/51/02/59/1344510259.db2.gz SVSNDDSGHKQIBR-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCC2CCCCC2)C1 ZINC001038625927 1344510264 /nfs/dbraw/zinc/51/02/64/1344510264.db2.gz SVSNDDSGHKQIBR-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1=CCCCC1 ZINC001038782917 1344582013 /nfs/dbraw/zinc/58/20/13/1344582013.db2.gz VOLUPZGBRIRNLG-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001038782917 1344582014 /nfs/dbraw/zinc/58/20/14/1344582014.db2.gz VOLUPZGBRIRNLG-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001038782917 1344582017 /nfs/dbraw/zinc/58/20/17/1344582017.db2.gz VOLUPZGBRIRNLG-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCC1 ZINC001038901823 1344641618 /nfs/dbraw/zinc/64/16/18/1344641618.db2.gz AJERMTKFVSMBPT-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC001038901823 1344641622 /nfs/dbraw/zinc/64/16/22/1344641622.db2.gz AJERMTKFVSMBPT-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001038901823 1344641626 /nfs/dbraw/zinc/64/16/26/1344641626.db2.gz AJERMTKFVSMBPT-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140094 1344820631 /nfs/dbraw/zinc/82/06/31/1344820631.db2.gz QLTGOTYIGVCTED-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039140094 1344820634 /nfs/dbraw/zinc/82/06/34/1344820634.db2.gz QLTGOTYIGVCTED-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039140094 1344820637 /nfs/dbraw/zinc/82/06/37/1344820637.db2.gz QLTGOTYIGVCTED-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039179860 1344875473 /nfs/dbraw/zinc/87/54/73/1344875473.db2.gz HQTWQQMXVPDOPZ-PMACEKPBSA-N 2 1 349.563 3.099 20 0 EGADMP CC(C)[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039258574 1344986866 /nfs/dbraw/zinc/98/68/66/1344986866.db2.gz XZVCSEVASYXIBT-VQTJNVASSA-N 2 1 349.563 3.218 20 0 EGADMP CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001039486172 1345103696 /nfs/dbraw/zinc/10/36/96/1345103696.db2.gz ACXVMJZYLHLRCT-HXUWFJFHSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001039486172 1345103698 /nfs/dbraw/zinc/10/36/98/1345103698.db2.gz ACXVMJZYLHLRCT-HXUWFJFHSA-N 2 1 347.547 3.116 20 0 EGADMP CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001039486172 1345103700 /nfs/dbraw/zinc/10/37/00/1345103700.db2.gz ACXVMJZYLHLRCT-HXUWFJFHSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001039528488 1345131493 /nfs/dbraw/zinc/13/14/93/1345131493.db2.gz NXGFKDBYCDHAQB-HSALFYBXSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1=CCCCC1 ZINC001039528488 1345131495 /nfs/dbraw/zinc/13/14/95/1345131495.db2.gz NXGFKDBYCDHAQB-HSALFYBXSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1=CCCCC1 ZINC001039528488 1345131499 /nfs/dbraw/zinc/13/14/99/1345131499.db2.gz NXGFKDBYCDHAQB-HSALFYBXSA-N 2 1 345.531 3.036 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CC1 ZINC001039643968 1345152491 /nfs/dbraw/zinc/15/24/91/1345152491.db2.gz JCUUQGAUTJASMM-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001039643968 1345152496 /nfs/dbraw/zinc/15/24/96/1345152496.db2.gz JCUUQGAUTJASMM-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001039643968 1345152499 /nfs/dbraw/zinc/15/24/99/1345152499.db2.gz JCUUQGAUTJASMM-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC ZINC001039969612 1345271634 /nfs/dbraw/zinc/27/16/34/1345271634.db2.gz OTJOPELAXKQJRQ-OTWHNJEPSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC ZINC001039969612 1345271637 /nfs/dbraw/zinc/27/16/37/1345271637.db2.gz OTJOPELAXKQJRQ-OTWHNJEPSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC ZINC001039969612 1345271639 /nfs/dbraw/zinc/27/16/39/1345271639.db2.gz OTJOPELAXKQJRQ-OTWHNJEPSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2C(C)C ZINC001039969821 1345271921 /nfs/dbraw/zinc/27/19/21/1345271921.db2.gz XAUKUMPGVYFOKQ-CEXWTWQISA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C(C)C ZINC001039969821 1345271924 /nfs/dbraw/zinc/27/19/24/1345271924.db2.gz XAUKUMPGVYFOKQ-CEXWTWQISA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C(C)C ZINC001039969821 1345271926 /nfs/dbraw/zinc/27/19/26/1345271926.db2.gz XAUKUMPGVYFOKQ-CEXWTWQISA-N 2 1 335.536 3.115 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040431368 1345493827 /nfs/dbraw/zinc/49/38/27/1345493827.db2.gz GNVQNBUBORXUEW-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040431368 1345493829 /nfs/dbraw/zinc/49/38/29/1345493829.db2.gz GNVQNBUBORXUEW-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040431368 1345493831 /nfs/dbraw/zinc/49/38/31/1345493831.db2.gz GNVQNBUBORXUEW-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(C)C)C2 ZINC001040544860 1345539057 /nfs/dbraw/zinc/53/90/57/1345539057.db2.gz LHXMKKDGYOLOGK-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC(C)C)C2 ZINC001040544860 1345539059 /nfs/dbraw/zinc/53/90/59/1345539059.db2.gz LHXMKKDGYOLOGK-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC(C)C)C2 ZINC001040544860 1345539061 /nfs/dbraw/zinc/53/90/61/1345539061.db2.gz LHXMKKDGYOLOGK-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CC(C)C)CC2 ZINC001040757730 1345575744 /nfs/dbraw/zinc/57/57/44/1345575744.db2.gz YLJPADQAXMVEKN-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001040847453 1345587520 /nfs/dbraw/zinc/58/75/20/1345587520.db2.gz PJLMNBYWUFSZKC-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)=CC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041357743 1345710111 /nfs/dbraw/zinc/71/01/11/1345710111.db2.gz INMMGTGBGKEMJU-FPOVZHCZSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357743 1345710113 /nfs/dbraw/zinc/71/01/13/1345710113.db2.gz INMMGTGBGKEMJU-FPOVZHCZSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357743 1345710117 /nfs/dbraw/zinc/71/01/17/1345710117.db2.gz INMMGTGBGKEMJU-FPOVZHCZSA-N 2 1 347.547 3.140 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845464 1345871706 /nfs/dbraw/zinc/87/17/06/1345871706.db2.gz DKTVUIILULUPGO-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041845464 1345871707 /nfs/dbraw/zinc/87/17/07/1345871707.db2.gz DKTVUIILULUPGO-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001041845464 1345871708 /nfs/dbraw/zinc/87/17/08/1345871708.db2.gz DKTVUIILULUPGO-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001042715422 1346109540 /nfs/dbraw/zinc/10/95/40/1346109540.db2.gz YDMWIACGECXCJN-XLIONFOSSA-N 2 1 343.515 3.071 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001042715422 1346109542 /nfs/dbraw/zinc/10/95/42/1346109542.db2.gz YDMWIACGECXCJN-XLIONFOSSA-N 2 1 343.515 3.071 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C2C[NH+](CCC3CCCCC3)C2)C1 ZINC001042912893 1346124446 /nfs/dbraw/zinc/12/44/46/1346124446.db2.gz WKLSDJJEXOQNLB-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044627595 1346386383 /nfs/dbraw/zinc/38/63/83/1346386383.db2.gz ASYLIKZWJQAWHW-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044628668 1346386908 /nfs/dbraw/zinc/38/69/08/1346386908.db2.gz IQWZFGJOHYPPPR-HKUYNNGSSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045033817 1346483914 /nfs/dbraw/zinc/48/39/14/1346483914.db2.gz GASKNIZNEQQFBC-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C[N@H+]1CCC(C)(C)C1)c1ccccc1 ZINC001045202863 1346529062 /nfs/dbraw/zinc/52/90/62/1346529062.db2.gz ZWROUGKHLGWTBM-HKUYNNGSSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045229908 1346536508 /nfs/dbraw/zinc/53/65/08/1346536508.db2.gz YXHHJMKDYGWENJ-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045229556 1346536522 /nfs/dbraw/zinc/53/65/22/1346536522.db2.gz PWYQOUUJJUBYFC-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001045322227 1346560049 /nfs/dbraw/zinc/56/00/49/1346560049.db2.gz IXXRQLCJLVEVMA-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CCC2CCCCCC2)CC1 ZINC001045390995 1346580849 /nfs/dbraw/zinc/58/08/49/1346580849.db2.gz YLUAHZIXFYDUGS-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943989 1346779172 /nfs/dbraw/zinc/77/91/72/1346779172.db2.gz UFUFDPDFPGUQTC-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCCC[C@]3(CC[NH+](C(C)C)C3)C2)C1 ZINC001045943904 1346779228 /nfs/dbraw/zinc/77/92/28/1346779228.db2.gz RGQAIZDURBOSRI-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CCCC[C@]3(CC[N@@H+](C(C)C)C3)C2)C1 ZINC001045943904 1346779230 /nfs/dbraw/zinc/77/92/30/1346779230.db2.gz RGQAIZDURBOSRI-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N2CCCC[C@]3(CC[N@H+](C(C)C)C3)C2)C1 ZINC001045943904 1346779231 /nfs/dbraw/zinc/77/92/31/1346779231.db2.gz RGQAIZDURBOSRI-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001045943283 1346779484 /nfs/dbraw/zinc/77/94/84/1346779484.db2.gz HNCCHUASYMEBKX-FPOVZHCZSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045943283 1346779487 /nfs/dbraw/zinc/77/94/87/1346779487.db2.gz HNCCHUASYMEBKX-FPOVZHCZSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001045943283 1346779489 /nfs/dbraw/zinc/77/94/89/1346779489.db2.gz HNCCHUASYMEBKX-FPOVZHCZSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1)[NH+](C)C ZINC001045945276 1346781301 /nfs/dbraw/zinc/78/13/01/1346781301.db2.gz QRIDTWHWNYDMMS-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960833 1346796554 /nfs/dbraw/zinc/79/65/54/1346796554.db2.gz UGGVSCJCSKCWGG-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045966421 1346801206 /nfs/dbraw/zinc/80/12/06/1346801206.db2.gz WCHGHFCKPFOFAJ-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001045966421 1346801212 /nfs/dbraw/zinc/80/12/12/1346801212.db2.gz WCHGHFCKPFOFAJ-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001045966421 1346801222 /nfs/dbraw/zinc/80/12/22/1346801222.db2.gz WCHGHFCKPFOFAJ-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001045971048 1346807125 /nfs/dbraw/zinc/80/71/25/1346807125.db2.gz LTAHGFMSOQMABC-FQEVSTJZSA-N 2 1 346.519 3.121 20 0 EGADMP CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001045971048 1346807128 /nfs/dbraw/zinc/80/71/28/1346807128.db2.gz LTAHGFMSOQMABC-FQEVSTJZSA-N 2 1 346.519 3.121 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCCC[C@]2(CC[N@H+](C(C)C)C2)C1)[NH+]1CCCC1 ZINC001045986179 1346828069 /nfs/dbraw/zinc/82/80/69/1346828069.db2.gz JGFCMAKCODQKMS-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001045987198 1346828514 /nfs/dbraw/zinc/82/85/14/1346828514.db2.gz LOBOKJSLAUSPHI-PZJWPPBQSA-N 2 1 343.515 3.014 20 0 EGADMP CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001045987198 1346828517 /nfs/dbraw/zinc/82/85/17/1346828517.db2.gz LOBOKJSLAUSPHI-PZJWPPBQSA-N 2 1 343.515 3.014 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](CC3=CCCCC3)C2)C1 ZINC001046375734 1346954843 /nfs/dbraw/zinc/95/48/43/1346954843.db2.gz OYKIIOFXJGRJCU-TZIWHRDSSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001046375734 1346954844 /nfs/dbraw/zinc/95/48/44/1346954844.db2.gz OYKIIOFXJGRJCU-TZIWHRDSSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001046375734 1346954845 /nfs/dbraw/zinc/95/48/45/1346954845.db2.gz OYKIIOFXJGRJCU-TZIWHRDSSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001046555188 1347014686 /nfs/dbraw/zinc/01/46/86/1347014686.db2.gz BELRTUYAVDLARJ-GHTZIAJQSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001046555188 1347014689 /nfs/dbraw/zinc/01/46/89/1347014689.db2.gz BELRTUYAVDLARJ-GHTZIAJQSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001046555188 1347014694 /nfs/dbraw/zinc/01/46/94/1347014694.db2.gz BELRTUYAVDLARJ-GHTZIAJQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@]2(C)CC[NH+](CC3CCCCCC3)C2)CC[N@H+]1C ZINC001046570018 1347022217 /nfs/dbraw/zinc/02/22/17/1347022217.db2.gz UBROHNBNXDNULS-HFSMHLIXSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@]2(C)CC[N@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001046570018 1347022218 /nfs/dbraw/zinc/02/22/18/1347022218.db2.gz UBROHNBNXDNULS-HFSMHLIXSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CC3CCCCCC3)C2)CC[NH+]1C ZINC001046570018 1347022221 /nfs/dbraw/zinc/02/22/21/1347022221.db2.gz UBROHNBNXDNULS-HFSMHLIXSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001047225662 1347256655 /nfs/dbraw/zinc/25/66/55/1347256655.db2.gz GYLCCQZNBYKUHB-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047244429 1347269650 /nfs/dbraw/zinc/26/96/50/1347269650.db2.gz RCIVEHHKUPAJFT-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001048532059 1347581248 /nfs/dbraw/zinc/58/12/48/1347581248.db2.gz QELNEERRHSLULB-HAGHYFMRSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001048532059 1347581252 /nfs/dbraw/zinc/58/12/52/1347581252.db2.gz QELNEERRHSLULB-HAGHYFMRSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001048532059 1347581254 /nfs/dbraw/zinc/58/12/54/1347581254.db2.gz QELNEERRHSLULB-HAGHYFMRSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048573881 1347600236 /nfs/dbraw/zinc/60/02/36/1347600236.db2.gz HEAQNMZOSBZAAU-OUUBHVDSSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[N@@H+]31)C2 ZINC001048573881 1347600237 /nfs/dbraw/zinc/60/02/37/1347600237.db2.gz HEAQNMZOSBZAAU-OUUBHVDSSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[N@H+]31)C2 ZINC001048573881 1347600239 /nfs/dbraw/zinc/60/02/39/1347600239.db2.gz HEAQNMZOSBZAAU-OUUBHVDSSA-N 2 1 347.547 3.163 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001048590326 1347609130 /nfs/dbraw/zinc/60/91/30/1347609130.db2.gz MVLRWAYGUBANCK-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001048590326 1347609131 /nfs/dbraw/zinc/60/91/31/1347609131.db2.gz MVLRWAYGUBANCK-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001048590326 1347609132 /nfs/dbraw/zinc/60/91/32/1347609132.db2.gz MVLRWAYGUBANCK-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC001049507245 1347883516 /nfs/dbraw/zinc/88/35/16/1347883516.db2.gz FHCRJZQTMDGMFP-IPMKNSEASA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049507245 1347883517 /nfs/dbraw/zinc/88/35/17/1347883517.db2.gz FHCRJZQTMDGMFP-IPMKNSEASA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC(C)(C)C ZINC001049507245 1347883522 /nfs/dbraw/zinc/88/35/22/1347883522.db2.gz FHCRJZQTMDGMFP-IPMKNSEASA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC(CC)CC ZINC001049508580 1347884356 /nfs/dbraw/zinc/88/43/56/1347884356.db2.gz QIGFAAHFBLCRER-VAMGGRTRSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(CC)CC ZINC001049508580 1347884358 /nfs/dbraw/zinc/88/43/58/1347884358.db2.gz QIGFAAHFBLCRER-VAMGGRTRSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(CC)CC ZINC001049508580 1347884361 /nfs/dbraw/zinc/88/43/61/1347884361.db2.gz QIGFAAHFBLCRER-VAMGGRTRSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001049526702 1347892842 /nfs/dbraw/zinc/89/28/42/1347892842.db2.gz WJWJSLJAUPEDNN-SLFFLAALSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049526702 1347892844 /nfs/dbraw/zinc/89/28/44/1347892844.db2.gz WJWJSLJAUPEDNN-SLFFLAALSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049526702 1347892847 /nfs/dbraw/zinc/89/28/47/1347892847.db2.gz WJWJSLJAUPEDNN-SLFFLAALSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC1CCC1)[NH+](C)C ZINC001049533124 1347894911 /nfs/dbraw/zinc/89/49/11/1347894911.db2.gz MOONIKFQWRGSOL-AABGKKOBSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CCCC1)[NH+](C)C ZINC001049532715 1347894952 /nfs/dbraw/zinc/89/49/52/1347894952.db2.gz JNMVWVYNHIRHDV-AABGKKOBSA-N 2 1 349.563 3.218 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1CCCC1 ZINC001049558817 1347908857 /nfs/dbraw/zinc/90/88/57/1347908857.db2.gz RWLVUBXOYGJFBV-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CCCC1 ZINC001049558817 1347908858 /nfs/dbraw/zinc/90/88/58/1347908858.db2.gz RWLVUBXOYGJFBV-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CCCC1 ZINC001049558817 1347908860 /nfs/dbraw/zinc/90/88/60/1347908860.db2.gz RWLVUBXOYGJFBV-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CC1 ZINC001049564700 1347912163 /nfs/dbraw/zinc/91/21/63/1347912163.db2.gz PLFFLNHNWBDEST-OALUTQOASA-N 2 1 347.547 3.115 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC001049564700 1347912164 /nfs/dbraw/zinc/91/21/64/1347912164.db2.gz PLFFLNHNWBDEST-OALUTQOASA-N 2 1 347.547 3.115 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CC1 ZINC001049564700 1347912167 /nfs/dbraw/zinc/91/21/67/1347912167.db2.gz PLFFLNHNWBDEST-OALUTQOASA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001049713325 1347988089 /nfs/dbraw/zinc/98/80/89/1347988089.db2.gz XURMQOPRIRGFCA-GBESFXJTSA-N 2 1 349.563 3.074 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1=CCCCC1 ZINC001049725175 1347991545 /nfs/dbraw/zinc/99/15/45/1347991545.db2.gz VRAMZOGZPXIVNN-RLLQIKCJSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1=CCCCC1 ZINC001049725175 1347991547 /nfs/dbraw/zinc/99/15/47/1347991547.db2.gz VRAMZOGZPXIVNN-RLLQIKCJSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1=CCCCC1 ZINC001049725175 1347991548 /nfs/dbraw/zinc/99/15/48/1347991548.db2.gz VRAMZOGZPXIVNN-RLLQIKCJSA-N 2 1 345.531 3.036 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC1CC1 ZINC001049767122 1348010608 /nfs/dbraw/zinc/01/06/08/1348010608.db2.gz NSYSPKLFZXYPKU-VAMGGRTRSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CC1 ZINC001049767122 1348010609 /nfs/dbraw/zinc/01/06/09/1348010609.db2.gz NSYSPKLFZXYPKU-VAMGGRTRSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CC1 ZINC001049767122 1348010611 /nfs/dbraw/zinc/01/06/11/1348010611.db2.gz NSYSPKLFZXYPKU-VAMGGRTRSA-N 2 1 347.547 3.115 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC001050302076 1348228072 /nfs/dbraw/zinc/22/80/72/1348228072.db2.gz AUVUXDKAKSSFJW-LFGUQSLTSA-N 2 1 343.515 3.106 20 0 EGADMP CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)CC1 ZINC001050633697 1348309449 /nfs/dbraw/zinc/30/94/49/1348309449.db2.gz ZKXZDSXEOJJBHP-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001079849063 1357400843 /nfs/dbraw/zinc/40/08/43/1357400843.db2.gz NJCBLABOWHNSSK-YZGWKJHDSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001079849063 1357400848 /nfs/dbraw/zinc/40/08/48/1357400848.db2.gz NJCBLABOWHNSSK-YZGWKJHDSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C ZINC001079849063 1357400849 /nfs/dbraw/zinc/40/08/49/1357400849.db2.gz NJCBLABOWHNSSK-YZGWKJHDSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381408 1348537067 /nfs/dbraw/zinc/53/70/67/1348537067.db2.gz PZDAXGSWJOOMGM-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052381408 1348537069 /nfs/dbraw/zinc/53/70/69/1348537069.db2.gz PZDAXGSWJOOMGM-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052381408 1348537071 /nfs/dbraw/zinc/53/70/71/1348537071.db2.gz PZDAXGSWJOOMGM-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052446643 1348542936 /nfs/dbraw/zinc/54/29/36/1348542936.db2.gz MXAKYMBYWAKRHZ-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001052446643 1348542937 /nfs/dbraw/zinc/54/29/37/1348542937.db2.gz MXAKYMBYWAKRHZ-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001052446643 1348542941 /nfs/dbraw/zinc/54/29/41/1348542941.db2.gz MXAKYMBYWAKRHZ-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447471 1348543720 /nfs/dbraw/zinc/54/37/20/1348543720.db2.gz FLHZYQMMFDAYRP-ICSRJNTNSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052447471 1348543723 /nfs/dbraw/zinc/54/37/23/1348543723.db2.gz FLHZYQMMFDAYRP-ICSRJNTNSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052447471 1348543725 /nfs/dbraw/zinc/54/37/25/1348543725.db2.gz FLHZYQMMFDAYRP-ICSRJNTNSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591642 1348588744 /nfs/dbraw/zinc/58/87/44/1348588744.db2.gz PYMYDUJQJKEPBR-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052651684 1348614197 /nfs/dbraw/zinc/61/41/97/1348614197.db2.gz LQNBPNMQKNVPIB-PKOBYXMFSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052651684 1348614198 /nfs/dbraw/zinc/61/41/98/1348614198.db2.gz LQNBPNMQKNVPIB-PKOBYXMFSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052651684 1348614200 /nfs/dbraw/zinc/61/42/00/1348614200.db2.gz LQNBPNMQKNVPIB-PKOBYXMFSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052708767 1348644213 /nfs/dbraw/zinc/64/42/13/1348644213.db2.gz GBUZIGDOBKWOKS-HXUWFJFHSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764389 1348669547 /nfs/dbraw/zinc/66/95/47/1348669547.db2.gz NTYLAOFRHHOANK-RTBURBONSA-N 2 1 335.536 3.188 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857141 1348704216 /nfs/dbraw/zinc/70/42/16/1348704216.db2.gz IMKQOUDQEJJMEX-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC001052959739 1348772706 /nfs/dbraw/zinc/77/27/06/1348772706.db2.gz XETNYAIZTXHEIR-KOJMWDNASA-N 2 1 349.906 3.085 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053096922 1348927024 /nfs/dbraw/zinc/92/70/24/1348927024.db2.gz BHSIGCXJUSGPRT-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001053096922 1348927026 /nfs/dbraw/zinc/92/70/26/1348927026.db2.gz BHSIGCXJUSGPRT-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001053096922 1348927031 /nfs/dbraw/zinc/92/70/31/1348927031.db2.gz BHSIGCXJUSGPRT-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001053104764 1348940798 /nfs/dbraw/zinc/94/07/98/1348940798.db2.gz QIRRYHDIBOLVPQ-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053105594 1348943386 /nfs/dbraw/zinc/94/33/86/1348943386.db2.gz PYDMZEMHILSREH-VQTJNVASSA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC3=CCCCC3)C2)C1)[NH+](C)C ZINC001054154992 1349158440 /nfs/dbraw/zinc/15/84/40/1349158440.db2.gz ZNRJFMFEKZDGAQ-TZIWHRDSSA-N 2 1 347.547 3.142 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001054183034 1349185805 /nfs/dbraw/zinc/18/58/05/1349185805.db2.gz WRBUVJDONCUWIC-FPOVZHCZSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001054183034 1349185807 /nfs/dbraw/zinc/18/58/07/1349185807.db2.gz WRBUVJDONCUWIC-FPOVZHCZSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054183034 1349185812 /nfs/dbraw/zinc/18/58/12/1349185812.db2.gz WRBUVJDONCUWIC-FPOVZHCZSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246158 1349240386 /nfs/dbraw/zinc/24/03/86/1349240386.db2.gz OZKJCLKZOVTQHZ-FPOVZHCZSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246158 1349240390 /nfs/dbraw/zinc/24/03/90/1349240390.db2.gz OZKJCLKZOVTQHZ-FPOVZHCZSA-N 2 1 343.515 3.014 20 0 EGADMP CC(C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246404 1349240984 /nfs/dbraw/zinc/24/09/84/1349240984.db2.gz YMTORSAGEVWWBO-TZIWHRDSSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001054246404 1349240986 /nfs/dbraw/zinc/24/09/86/1349240986.db2.gz YMTORSAGEVWWBO-TZIWHRDSSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cc2C1 ZINC001054266193 1349264162 /nfs/dbraw/zinc/26/41/62/1349264162.db2.gz PUFYRQJQCPQSJJ-OXQOHEQNSA-N 2 1 343.515 3.005 20 0 EGADMP CC(C)CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cc2C1 ZINC001054266193 1349264165 /nfs/dbraw/zinc/26/41/65/1349264165.db2.gz PUFYRQJQCPQSJJ-OXQOHEQNSA-N 2 1 343.515 3.005 20 0 EGADMP CC(C)CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cc2C1 ZINC001054266193 1349264169 /nfs/dbraw/zinc/26/41/69/1349264169.db2.gz PUFYRQJQCPQSJJ-OXQOHEQNSA-N 2 1 343.515 3.005 20 0 EGADMP CCCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3CCC)cc2C1 ZINC001054267392 1349265178 /nfs/dbraw/zinc/26/51/78/1349265178.db2.gz RJVNRFGKPZQHDS-HXUWFJFHSA-N 2 1 343.515 3.293 20 0 EGADMP CCCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3CCC)cc2C1 ZINC001054267392 1349265181 /nfs/dbraw/zinc/26/51/81/1349265181.db2.gz RJVNRFGKPZQHDS-HXUWFJFHSA-N 2 1 343.515 3.293 20 0 EGADMP CCCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3CCC)cc2C1 ZINC001054267392 1349265184 /nfs/dbraw/zinc/26/51/84/1349265184.db2.gz RJVNRFGKPZQHDS-HXUWFJFHSA-N 2 1 343.515 3.293 20 0 EGADMP CC[C@H](C)C[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2C1 ZINC001054270494 1349269075 /nfs/dbraw/zinc/26/90/75/1349269075.db2.gz PFPKAPUKZJMXQB-JXFKEZNVSA-N 2 1 343.515 3.149 20 0 EGADMP CC[C@H](C)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cc2C1 ZINC001054270494 1349269076 /nfs/dbraw/zinc/26/90/76/1349269076.db2.gz PFPKAPUKZJMXQB-JXFKEZNVSA-N 2 1 343.515 3.149 20 0 EGADMP CC[C@H](C)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3C)cc2C1 ZINC001054270494 1349269079 /nfs/dbraw/zinc/26/90/79/1349269079.db2.gz PFPKAPUKZJMXQB-JXFKEZNVSA-N 2 1 343.515 3.149 20 0 EGADMP CC(C)C[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2C1 ZINC001054278581 1349279229 /nfs/dbraw/zinc/27/92/29/1349279229.db2.gz HRFKZWVRAFKTMT-WMZOPIPTSA-N 2 1 343.515 3.005 20 0 EGADMP CC(C)C[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2C1 ZINC001054278581 1349279233 /nfs/dbraw/zinc/27/92/33/1349279233.db2.gz HRFKZWVRAFKTMT-WMZOPIPTSA-N 2 1 343.515 3.005 20 0 EGADMP CC(C)C[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2C1 ZINC001054278581 1349279235 /nfs/dbraw/zinc/27/92/35/1349279235.db2.gz HRFKZWVRAFKTMT-WMZOPIPTSA-N 2 1 343.515 3.005 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)C3CC[NH+](C(C)C)CC3)cc2C1 ZINC001054288371 1349292520 /nfs/dbraw/zinc/29/25/20/1349292520.db2.gz UQPYMOCWZVEAAB-UHFFFAOYSA-N 2 1 343.515 3.149 20 0 EGADMP CC(C)[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)cc2C1 ZINC001054289809 1349293986 /nfs/dbraw/zinc/29/39/86/1349293986.db2.gz RQKDKXWUZOZJNS-YLJYHZDGSA-N 2 1 343.515 3.147 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)c1ccccc1 ZINC001054297706 1349301913 /nfs/dbraw/zinc/30/19/13/1349301913.db2.gz PBSBJXVPZXOAMF-KVPLUYHFSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001054740569 1349451439 /nfs/dbraw/zinc/45/14/39/1349451439.db2.gz WHIQAJNDNAAFQW-APWZRJJASA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1[NH2+]CC1CCCC1 ZINC001054823360 1349479565 /nfs/dbraw/zinc/47/95/65/1349479565.db2.gz LHANSDPMYPMBFJ-QFBILLFUSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CC1CCCCC1 ZINC001071645607 1354824026 /nfs/dbraw/zinc/82/40/26/1354824026.db2.gz LDGGJWAJUNZCPP-MJGOQNOKSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CCC1CCCC1 ZINC001071736088 1354888041 /nfs/dbraw/zinc/88/80/41/1354888041.db2.gz XIQLKBAGZNSJSG-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001071768901 1354915558 /nfs/dbraw/zinc/91/55/58/1354915558.db2.gz FYOMAKQKLWUQSC-QAPCUYQASA-N 2 1 349.519 3.360 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001071768901 1354915562 /nfs/dbraw/zinc/91/55/62/1354915562.db2.gz FYOMAKQKLWUQSC-QAPCUYQASA-N 2 1 349.519 3.360 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CCC(C)(C)C ZINC001071821060 1354960921 /nfs/dbraw/zinc/96/09/21/1354960921.db2.gz ITGYNXAUTVRFMK-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CCC(C)(C)C ZINC001071821060 1354960924 /nfs/dbraw/zinc/96/09/24/1354960924.db2.gz ITGYNXAUTVRFMK-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CCC(C)(C)C ZINC001071821060 1354960926 /nfs/dbraw/zinc/96/09/26/1354960926.db2.gz ITGYNXAUTVRFMK-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001071829004 1354965882 /nfs/dbraw/zinc/96/58/82/1354965882.db2.gz YNAABDVKWLQEMI-PXNSSMCTSA-N 2 1 345.531 3.174 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CC1CCC(C)(C)CC1 ZINC001072081021 1355118266 /nfs/dbraw/zinc/11/82/66/1355118266.db2.gz FQWPZLNPHFQTEM-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@H+]1CCC1CC1 ZINC001072099492 1355129088 /nfs/dbraw/zinc/12/90/88/1355129088.db2.gz RMYQYLDCHORYHY-LPHOPBHVSA-N 2 1 343.515 3.131 20 0 EGADMP CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CCC(C)(C)CC1)C2)[NH+](C)C ZINC001072850894 1355465066 /nfs/dbraw/zinc/46/50/66/1355465066.db2.gz CKRZQVVUIQDGTA-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073126121 1355610260 /nfs/dbraw/zinc/61/02/60/1355610260.db2.gz WQDDLEVTZZAGFB-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001074015697 1356036461 /nfs/dbraw/zinc/03/64/61/1356036461.db2.gz LBKPGMICPHGZQZ-UYAOXDASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001074015697 1356036463 /nfs/dbraw/zinc/03/64/63/1356036463.db2.gz LBKPGMICPHGZQZ-UYAOXDASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001074015697 1356036464 /nfs/dbraw/zinc/03/64/64/1356036464.db2.gz LBKPGMICPHGZQZ-UYAOXDASSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001074832361 1356260032 /nfs/dbraw/zinc/26/00/32/1356260032.db2.gz IKSLGMNTSHCFLJ-ZULIPRJHSA-N 2 1 347.547 3.186 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461522 1356395368 /nfs/dbraw/zinc/39/53/68/1356395368.db2.gz JZQJAWUUQXHZSD-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461522 1356395370 /nfs/dbraw/zinc/39/53/70/1356395370.db2.gz JZQJAWUUQXHZSD-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461522 1356395374 /nfs/dbraw/zinc/39/53/74/1356395374.db2.gz JZQJAWUUQXHZSD-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1 ZINC001082852208 1358099141 /nfs/dbraw/zinc/09/91/41/1358099141.db2.gz ZNQPGJBBMWGICL-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001183516935 1387316154 /nfs/dbraw/zinc/31/61/54/1387316154.db2.gz GVJPCPNBULWWGH-SLYNCCJLSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC001085225029 1358437601 /nfs/dbraw/zinc/43/76/01/1358437601.db2.gz FJVZCNIIQZJPJM-GUDVDZBRSA-N 2 1 335.536 3.066 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCCCC2)C1 ZINC001085422422 1358495838 /nfs/dbraw/zinc/49/58/38/1358495838.db2.gz SKJYYRLWCVMZJJ-VAMGGRTRSA-N 2 1 349.563 3.316 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCC2=CCCCC2)CC[N@H+]1C ZINC001085604036 1358627190 /nfs/dbraw/zinc/62/71/90/1358627190.db2.gz VQUQCUWTNPGTNQ-HSALFYBXSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCC2=CCCCC2)CC[NH+]1C ZINC001085604036 1358627192 /nfs/dbraw/zinc/62/71/92/1358627192.db2.gz VQUQCUWTNPGTNQ-HSALFYBXSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCC2=CCCCC2)CC[NH+]1C ZINC001085604036 1358627198 /nfs/dbraw/zinc/62/71/98/1358627198.db2.gz VQUQCUWTNPGTNQ-HSALFYBXSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCC1 ZINC001085688144 1358688133 /nfs/dbraw/zinc/68/81/33/1358688133.db2.gz CSHBYIHRQZCQMH-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCC1 ZINC001085688144 1358688138 /nfs/dbraw/zinc/68/81/38/1358688138.db2.gz CSHBYIHRQZCQMH-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001085688144 1358688145 /nfs/dbraw/zinc/68/81/45/1358688145.db2.gz CSHBYIHRQZCQMH-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CC1CCC1)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085782131 1358756483 /nfs/dbraw/zinc/75/64/83/1358756483.db2.gz NQDBPSRVDBZVIH-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@H]1CC[NH+]1CC1CCC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782131 1358756487 /nfs/dbraw/zinc/75/64/87/1358756487.db2.gz NQDBPSRVDBZVIH-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@H]1CC[NH+]1CC1CCC1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782131 1358756491 /nfs/dbraw/zinc/75/64/91/1358756491.db2.gz NQDBPSRVDBZVIH-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCC1 ZINC001085856445 1358824294 /nfs/dbraw/zinc/82/42/94/1358824294.db2.gz ZBRPJQNQISLVLL-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCC1 ZINC001085856445 1358824297 /nfs/dbraw/zinc/82/42/97/1358824297.db2.gz ZBRPJQNQISLVLL-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001085856445 1358824306 /nfs/dbraw/zinc/82/43/06/1358824306.db2.gz ZBRPJQNQISLVLL-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC2=CCCCC2)CC1 ZINC001085902238 1358861190 /nfs/dbraw/zinc/86/11/90/1358861190.db2.gz XUXBQAASOJUSKH-HXUWFJFHSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001183870026 1387363952 /nfs/dbraw/zinc/36/39/52/1387363952.db2.gz YIUPZZWRITZHQD-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085988126 1358938781 /nfs/dbraw/zinc/93/87/81/1358938781.db2.gz WGHLNMOPZJLAMA-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001085988126 1358938784 /nfs/dbraw/zinc/93/87/84/1358938784.db2.gz WGHLNMOPZJLAMA-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001085988126 1358938786 /nfs/dbraw/zinc/93/87/86/1358938786.db2.gz WGHLNMOPZJLAMA-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001085988162 1358939438 /nfs/dbraw/zinc/93/94/38/1358939438.db2.gz WRSIMOZBSOIFJZ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001085988162 1358939441 /nfs/dbraw/zinc/93/94/41/1358939441.db2.gz WRSIMOZBSOIFJZ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCCC1 ZINC001085988162 1358939443 /nfs/dbraw/zinc/93/94/43/1358939443.db2.gz WRSIMOZBSOIFJZ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001086387044 1359084700 /nfs/dbraw/zinc/08/47/00/1359084700.db2.gz PULQLBPZHBRGRR-UFYCRDLUSA-N 2 1 349.563 3.029 20 0 EGADMP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001086502562 1359121939 /nfs/dbraw/zinc/12/19/39/1359121939.db2.gz FMVYAJQJJNDVOM-MUGJNUQGSA-N 2 1 347.547 3.068 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC001086850118 1359213724 /nfs/dbraw/zinc/21/37/24/1359213724.db2.gz RDHLDDISOBRFLW-XUVXKRRUSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086883156 1359220169 /nfs/dbraw/zinc/22/01/69/1359220169.db2.gz RTPSTANVDARKHG-XUVXKRRUSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC2(C[C@@H]1C)CC[NH+](C(C)C)CC2 ZINC001086926969 1359252031 /nfs/dbraw/zinc/25/20/31/1359252031.db2.gz OTSOWLFVOPPEDY-OALUTQOASA-N 2 1 349.563 3.361 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941119 1359263088 /nfs/dbraw/zinc/26/30/88/1359263088.db2.gz JUJNXERVAUGCAL-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CCCC2)CC[N@H+]1C ZINC001087168495 1359312409 /nfs/dbraw/zinc/31/24/09/1359312409.db2.gz PQOMTMZDJTXMDL-BTHPGYMESA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@@H+]1CCC(C)(C)C ZINC001087601799 1359549294 /nfs/dbraw/zinc/54/92/94/1359549294.db2.gz KLVOAHDKLOIFSN-GVDBMIGSSA-N 2 1 346.519 3.166 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@H+]1CCC(C)(C)C ZINC001087601799 1359549297 /nfs/dbraw/zinc/54/92/97/1359549297.db2.gz KLVOAHDKLOIFSN-GVDBMIGSSA-N 2 1 346.519 3.166 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC[N@H+]1CCC1CC1 ZINC001087602571 1359550942 /nfs/dbraw/zinc/55/09/42/1359550942.db2.gz UWOIKJKGKAGQNJ-GBESFXJTSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CCC1CC1 ZINC001087602571 1359550949 /nfs/dbraw/zinc/55/09/49/1359550949.db2.gz UWOIKJKGKAGQNJ-GBESFXJTSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC[NH+]1CCC1CC1 ZINC001087602571 1359550952 /nfs/dbraw/zinc/55/09/52/1359550952.db2.gz UWOIKJKGKAGQNJ-GBESFXJTSA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001087620909 1359558468 /nfs/dbraw/zinc/55/84/68/1359558468.db2.gz BEOYBCTVZRJETJ-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CC1CCCCC1 ZINC001087626098 1359561565 /nfs/dbraw/zinc/56/15/65/1359561565.db2.gz JROLDPSRCUZIFP-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CC1CCCCC1 ZINC001087626098 1359561568 /nfs/dbraw/zinc/56/15/68/1359561568.db2.gz JROLDPSRCUZIFP-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CC1CCCCC1 ZINC001087626098 1359561573 /nfs/dbraw/zinc/56/15/73/1359561573.db2.gz JROLDPSRCUZIFP-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CC1CCCCC1 ZINC001087626098 1359561574 /nfs/dbraw/zinc/56/15/74/1359561574.db2.gz JROLDPSRCUZIFP-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CCC1CCCC1 ZINC001087626217 1359562292 /nfs/dbraw/zinc/56/22/92/1359562292.db2.gz OZHICJIISRSZFJ-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CCC1CCCC1 ZINC001087626217 1359562294 /nfs/dbraw/zinc/56/22/94/1359562294.db2.gz OZHICJIISRSZFJ-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CCC1CCCC1 ZINC001087626217 1359562297 /nfs/dbraw/zinc/56/22/97/1359562297.db2.gz OZHICJIISRSZFJ-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CCC1CCCC1 ZINC001087626217 1359562303 /nfs/dbraw/zinc/56/23/03/1359562303.db2.gz OZHICJIISRSZFJ-IPMKNSEASA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC[N@H+]1CC=C(C)C ZINC001087636605 1359565732 /nfs/dbraw/zinc/56/57/32/1359565732.db2.gz ZIBOZQAZXCAPMF-OTWHNJEPSA-N 2 1 335.536 3.042 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC[NH+]1CC=C(C)C ZINC001087636605 1359565734 /nfs/dbraw/zinc/56/57/34/1359565734.db2.gz ZIBOZQAZXCAPMF-OTWHNJEPSA-N 2 1 335.536 3.042 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC[NH+]1CC=C(C)C ZINC001087636605 1359565736 /nfs/dbraw/zinc/56/57/36/1359565736.db2.gz ZIBOZQAZXCAPMF-OTWHNJEPSA-N 2 1 335.536 3.042 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]2C1 ZINC001088021136 1359726438 /nfs/dbraw/zinc/72/64/38/1359726438.db2.gz VRIXTQQIJPWAPF-MSOLQXFVSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]2C1 ZINC001088021136 1359726440 /nfs/dbraw/zinc/72/64/40/1359726440.db2.gz VRIXTQQIJPWAPF-MSOLQXFVSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]2C1 ZINC001088021136 1359726442 /nfs/dbraw/zinc/72/64/42/1359726442.db2.gz VRIXTQQIJPWAPF-MSOLQXFVSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001088323760 1359831024 /nfs/dbraw/zinc/83/10/24/1359831024.db2.gz YDHSJLJOJRZEDN-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCC3CCCC3)[C@@H]2C)C1 ZINC001088617057 1359992383 /nfs/dbraw/zinc/99/23/83/1359992383.db2.gz WKVZGUPPIQHOCE-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CCC3CCCC3)[C@@H]2C)C1 ZINC001088617057 1359992387 /nfs/dbraw/zinc/99/23/87/1359992387.db2.gz WKVZGUPPIQHOCE-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC3CCCC3)[C@@H]2C)C1 ZINC001088617057 1359992390 /nfs/dbraw/zinc/99/23/90/1359992390.db2.gz WKVZGUPPIQHOCE-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621429 1359994321 /nfs/dbraw/zinc/99/43/21/1359994321.db2.gz DGAFGNZGBZGFGX-NEWSRXKRSA-N 2 1 337.552 3.265 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088621429 1359994326 /nfs/dbraw/zinc/99/43/26/1359994326.db2.gz DGAFGNZGBZGFGX-NEWSRXKRSA-N 2 1 337.552 3.265 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088621429 1359994330 /nfs/dbraw/zinc/99/43/30/1359994330.db2.gz DGAFGNZGBZGFGX-NEWSRXKRSA-N 2 1 337.552 3.265 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[N@H+]1CCCC1CCC1 ZINC001088768872 1360036698 /nfs/dbraw/zinc/03/66/98/1360036698.db2.gz IFMRYNUKBSLCFN-UXPWSPDFSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)[C@@H]1C ZINC001088898351 1360097182 /nfs/dbraw/zinc/09/71/82/1360097182.db2.gz AYXSVPUAFBMATP-SQNIBIBYSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)[C@@H]1C ZINC001088898351 1360097187 /nfs/dbraw/zinc/09/71/87/1360097187.db2.gz AYXSVPUAFBMATP-SQNIBIBYSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H]1C ZINC001088898351 1360097190 /nfs/dbraw/zinc/09/71/90/1360097190.db2.gz AYXSVPUAFBMATP-SQNIBIBYSA-N 2 1 337.552 3.265 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088898888 1360098979 /nfs/dbraw/zinc/09/89/79/1360098979.db2.gz ZXBXUJIBAMWOMA-NZSAHSFTSA-N 2 1 337.552 3.265 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H]1C ZINC001088898888 1360098982 /nfs/dbraw/zinc/09/89/82/1360098982.db2.gz ZXBXUJIBAMWOMA-NZSAHSFTSA-N 2 1 337.552 3.265 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H]1C ZINC001088898888 1360098984 /nfs/dbraw/zinc/09/89/84/1360098984.db2.gz ZXBXUJIBAMWOMA-NZSAHSFTSA-N 2 1 337.552 3.265 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001089245906 1360280519 /nfs/dbraw/zinc/28/05/19/1360280519.db2.gz OJSJUKIGOHKPBB-MHJFOBGBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334513 1360347777 /nfs/dbraw/zinc/34/77/77/1360347777.db2.gz IJNOFRIONIBDEU-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089334513 1360347785 /nfs/dbraw/zinc/34/77/85/1360347785.db2.gz IJNOFRIONIBDEU-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089334513 1360347788 /nfs/dbraw/zinc/34/77/88/1360347788.db2.gz IJNOFRIONIBDEU-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089407478 1360406115 /nfs/dbraw/zinc/40/61/15/1360406115.db2.gz ZYKNVVZEBWUQKB-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089407478 1360406117 /nfs/dbraw/zinc/40/61/17/1360406117.db2.gz ZYKNVVZEBWUQKB-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089407478 1360406118 /nfs/dbraw/zinc/40/61/18/1360406118.db2.gz ZYKNVVZEBWUQKB-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089420863 1360415098 /nfs/dbraw/zinc/41/50/98/1360415098.db2.gz QETYJHWNWMNWEC-MSOLQXFVSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089420863 1360415101 /nfs/dbraw/zinc/41/51/01/1360415101.db2.gz QETYJHWNWMNWEC-MSOLQXFVSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089420863 1360415103 /nfs/dbraw/zinc/41/51/03/1360415103.db2.gz QETYJHWNWMNWEC-MSOLQXFVSA-N 2 1 335.536 3.044 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089446636 1360435414 /nfs/dbraw/zinc/43/54/14/1360435414.db2.gz YNBNLHHDFTZHLM-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089512004 1360483254 /nfs/dbraw/zinc/48/32/54/1360483254.db2.gz YASTXGUHEQJMFO-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089512004 1360483256 /nfs/dbraw/zinc/48/32/56/1360483256.db2.gz YASTXGUHEQJMFO-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089512004 1360483258 /nfs/dbraw/zinc/48/32/58/1360483258.db2.gz YASTXGUHEQJMFO-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089536268 1360495256 /nfs/dbraw/zinc/49/52/56/1360495256.db2.gz APGLIHANHOVNMA-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@H+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089536268 1360495257 /nfs/dbraw/zinc/49/52/57/1360495257.db2.gz APGLIHANHOVNMA-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089536268 1360495258 /nfs/dbraw/zinc/49/52/58/1360495258.db2.gz APGLIHANHOVNMA-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001089649462 1360563059 /nfs/dbraw/zinc/56/30/59/1360563059.db2.gz JIFSYKWJUPZLHD-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001089649462 1360563062 /nfs/dbraw/zinc/56/30/62/1360563062.db2.gz JIFSYKWJUPZLHD-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001089649462 1360563065 /nfs/dbraw/zinc/56/30/65/1360563065.db2.gz JIFSYKWJUPZLHD-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CC1 ZINC001089663019 1360573342 /nfs/dbraw/zinc/57/33/42/1360573342.db2.gz HUMICGCKZFTKOC-OALUTQOASA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001089663019 1360573346 /nfs/dbraw/zinc/57/33/46/1360573346.db2.gz HUMICGCKZFTKOC-OALUTQOASA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001089663019 1360573347 /nfs/dbraw/zinc/57/33/47/1360573347.db2.gz HUMICGCKZFTKOC-OALUTQOASA-N 2 1 349.563 3.124 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CCCC2CCC2)C1 ZINC001089732188 1360635895 /nfs/dbraw/zinc/63/58/95/1360635895.db2.gz OPNKANUVXAIUTM-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CCCC2CCC2)C1 ZINC001089732188 1360635899 /nfs/dbraw/zinc/63/58/99/1360635899.db2.gz OPNKANUVXAIUTM-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CCCC2CCC2)C1 ZINC001089732188 1360635902 /nfs/dbraw/zinc/63/59/02/1360635902.db2.gz OPNKANUVXAIUTM-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001089734112 1360638316 /nfs/dbraw/zinc/63/83/16/1360638316.db2.gz ITAJBEVCJMQZHW-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001089734112 1360638322 /nfs/dbraw/zinc/63/83/22/1360638322.db2.gz ITAJBEVCJMQZHW-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCC1 ZINC001089734112 1360638328 /nfs/dbraw/zinc/63/83/28/1360638328.db2.gz ITAJBEVCJMQZHW-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cccnc2N(C)C)CC1)CC1CC1 ZINC001323942505 1387498656 /nfs/dbraw/zinc/49/86/56/1387498656.db2.gz YDFVMNOBWBKYFX-UHFFFAOYSA-N 2 1 344.547 3.482 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1 ZINC001184714023 1387517545 /nfs/dbraw/zinc/51/75/45/1387517545.db2.gz VMUBVNDQJUXUCZ-SJORKVTESA-N 2 1 339.568 3.227 20 0 EGADMP CCCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093373046 1361582541 /nfs/dbraw/zinc/58/25/41/1361582541.db2.gz INIZEARUMKINLN-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)c3sccc3C[NH+](C)C)CCC[C@@H]12 ZINC001094427070 1361797805 /nfs/dbraw/zinc/79/78/05/1361797805.db2.gz GFTSCYVRKSLXEI-VQIMIIECSA-N 2 1 349.544 3.194 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC=C(C)C)CC2 ZINC001094585419 1361871039 /nfs/dbraw/zinc/87/10/39/1361871039.db2.gz VTCKPGHIDUHPQL-QKNQBKEWSA-N 2 1 347.547 3.188 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC=C(C)C)CC2 ZINC001094585419 1361871042 /nfs/dbraw/zinc/87/10/42/1361871042.db2.gz VTCKPGHIDUHPQL-QKNQBKEWSA-N 2 1 347.547 3.188 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC=C(C)C)CC2 ZINC001094585419 1361871044 /nfs/dbraw/zinc/87/10/44/1361871044.db2.gz VTCKPGHIDUHPQL-QKNQBKEWSA-N 2 1 347.547 3.188 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001095525623 1362161939 /nfs/dbraw/zinc/16/19/39/1362161939.db2.gz ZMWHPMPMUNHOQW-YRPNKDGESA-N 2 1 349.563 3.122 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001095525623 1362161942 /nfs/dbraw/zinc/16/19/42/1362161942.db2.gz ZMWHPMPMUNHOQW-YRPNKDGESA-N 2 1 349.563 3.122 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001095525623 1362161945 /nfs/dbraw/zinc/16/19/45/1362161945.db2.gz ZMWHPMPMUNHOQW-YRPNKDGESA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCC1 ZINC001095532634 1362163244 /nfs/dbraw/zinc/16/32/44/1362163244.db2.gz JTNMBAFRMLTVNG-ZRNYENFQSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1 ZINC001095532634 1362163247 /nfs/dbraw/zinc/16/32/47/1362163247.db2.gz JTNMBAFRMLTVNG-ZRNYENFQSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001095532634 1362163248 /nfs/dbraw/zinc/16/32/48/1362163248.db2.gz JTNMBAFRMLTVNG-ZRNYENFQSA-N 2 1 347.547 3.161 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001096012159 1362333913 /nfs/dbraw/zinc/33/39/13/1362333913.db2.gz NUELPHXHERMOSH-RNQOJCNYSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001096012159 1362333917 /nfs/dbraw/zinc/33/39/17/1362333917.db2.gz NUELPHXHERMOSH-RNQOJCNYSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001096012159 1362333922 /nfs/dbraw/zinc/33/39/22/1362333922.db2.gz NUELPHXHERMOSH-RNQOJCNYSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001096105216 1362384701 /nfs/dbraw/zinc/38/47/01/1362384701.db2.gz WEGOPYAWIJWVHY-YDZRNGNQSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001096105216 1362384704 /nfs/dbraw/zinc/38/47/04/1362384704.db2.gz WEGOPYAWIJWVHY-YDZRNGNQSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001096105216 1362384709 /nfs/dbraw/zinc/38/47/09/1362384709.db2.gz WEGOPYAWIJWVHY-YDZRNGNQSA-N 2 1 335.536 3.017 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCC2)CC1 ZINC001096237604 1362447349 /nfs/dbraw/zinc/44/73/49/1362447349.db2.gz IBSWGBUHCZLNDZ-AABGKKOBSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@H]1CCCCN1C(=O)CN1CCC[C@H]1CNc1cccc(C)n1 ZINC001324284722 1387580559 /nfs/dbraw/zinc/58/05/59/1387580559.db2.gz FKQFLDYVLOWJLJ-ROUUACIJSA-N 2 1 344.503 3.057 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001097063471 1362829794 /nfs/dbraw/zinc/82/97/94/1362829794.db2.gz MIJJNIFHXABHIP-ZRNYENFQSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001097063471 1362829796 /nfs/dbraw/zinc/82/97/96/1362829796.db2.gz MIJJNIFHXABHIP-ZRNYENFQSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001097063471 1362829797 /nfs/dbraw/zinc/82/97/97/1362829797.db2.gz MIJJNIFHXABHIP-ZRNYENFQSA-N 2 1 347.547 3.161 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1(C)CC[NH+](CCCC(C)(C)C)CC1 ZINC001324340105 1387598843 /nfs/dbraw/zinc/59/88/43/1387598843.db2.gz QPHMSSDYPBKERS-UHFFFAOYSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001098461814 1363332397 /nfs/dbraw/zinc/33/23/97/1363332397.db2.gz QIGCYZZDXIYFSG-YSTOQKLRSA-N 2 1 345.531 3.083 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001098461814 1363332400 /nfs/dbraw/zinc/33/24/00/1363332400.db2.gz QIGCYZZDXIYFSG-YSTOQKLRSA-N 2 1 345.531 3.083 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001098461814 1363332401 /nfs/dbraw/zinc/33/24/01/1363332401.db2.gz QIGCYZZDXIYFSG-YSTOQKLRSA-N 2 1 345.531 3.083 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCC(C)C)C3)C1 ZINC001098990806 1363560016 /nfs/dbraw/zinc/56/00/16/1363560016.db2.gz GESGDIODXKJBCF-ZJOUEHCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCC(C)C)C3)C1 ZINC001098990806 1363560018 /nfs/dbraw/zinc/56/00/18/1363560018.db2.gz GESGDIODXKJBCF-ZJOUEHCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCC(C)C)C3)C1 ZINC001098990806 1363560020 /nfs/dbraw/zinc/56/00/20/1363560020.db2.gz GESGDIODXKJBCF-ZJOUEHCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099031180 1363585369 /nfs/dbraw/zinc/58/53/69/1363585369.db2.gz QXTRCCMJPHPMRR-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001099031180 1363585374 /nfs/dbraw/zinc/58/53/74/1363585374.db2.gz QXTRCCMJPHPMRR-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001099031180 1363585379 /nfs/dbraw/zinc/58/53/79/1363585379.db2.gz QXTRCCMJPHPMRR-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099198690 1363687686 /nfs/dbraw/zinc/68/76/86/1363687686.db2.gz DBVGWSPINPVMLR-ZEVQVBBLSA-N 2 1 349.563 3.291 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCCC1 ZINC001099275878 1363726693 /nfs/dbraw/zinc/72/66/93/1363726693.db2.gz KGQWDXDLXHJUGP-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CCCC2)C1 ZINC001099311099 1363744696 /nfs/dbraw/zinc/74/46/96/1363744696.db2.gz XRBPONOGYXHHBH-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC2CCCC2)C1 ZINC001099311099 1363744699 /nfs/dbraw/zinc/74/46/99/1363744699.db2.gz XRBPONOGYXHHBH-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC2CCCC2)C1 ZINC001099311099 1363744702 /nfs/dbraw/zinc/74/47/02/1363744702.db2.gz XRBPONOGYXHHBH-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099495763 1363820557 /nfs/dbraw/zinc/82/05/57/1363820557.db2.gz CKBQBUQVTHWSKQ-RDGPPVDQSA-N 2 1 349.563 3.076 20 0 EGADMP CCCCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@H+](C)CC ZINC001099495763 1363820560 /nfs/dbraw/zinc/82/05/60/1363820560.db2.gz CKBQBUQVTHWSKQ-RDGPPVDQSA-N 2 1 349.563 3.076 20 0 EGADMP CCCCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@@H+](C)CC ZINC001099495763 1363820564 /nfs/dbraw/zinc/82/05/64/1363820564.db2.gz CKBQBUQVTHWSKQ-RDGPPVDQSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCC2CC([NH2+]CCCC3CCCC3)C2)CC[N@H+]1C ZINC001100606474 1364187112 /nfs/dbraw/zinc/18/71/12/1364187112.db2.gz HODXVSGSZXXHBR-VHBXLISGSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+]Cc2ccccc2C(C)C)C1 ZINC001100905068 1364324199 /nfs/dbraw/zinc/32/41/99/1364324199.db2.gz UWZHUUACRRTTAG-UHFFFAOYSA-N 2 1 345.531 3.136 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001101036064 1364383748 /nfs/dbraw/zinc/38/37/48/1364383748.db2.gz HTTBOVFSOIJUHV-ABHNRTSZSA-N 2 1 337.552 3.172 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101267840 1364492397 /nfs/dbraw/zinc/49/23/97/1364492397.db2.gz UVXJMLJIDUZFFF-SBHAEUEKSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001101267840 1364492400 /nfs/dbraw/zinc/49/24/00/1364492400.db2.gz UVXJMLJIDUZFFF-SBHAEUEKSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001101267840 1364492402 /nfs/dbraw/zinc/49/24/02/1364492402.db2.gz UVXJMLJIDUZFFF-SBHAEUEKSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+](CCC3CCCC3)C[C@@]2(C)C1 ZINC001101285065 1364498711 /nfs/dbraw/zinc/49/87/11/1364498711.db2.gz MXMVFATWGZZQRV-NQIIRXRSSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CCC3CCCC3)C[C@@]2(C)C1 ZINC001101285065 1364498714 /nfs/dbraw/zinc/49/87/14/1364498714.db2.gz MXMVFATWGZZQRV-NQIIRXRSSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](CCC3CCCC3)C[C@@]2(C)C1 ZINC001101285065 1364498717 /nfs/dbraw/zinc/49/87/17/1364498717.db2.gz MXMVFATWGZZQRV-NQIIRXRSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313664 1364506565 /nfs/dbraw/zinc/50/65/65/1364506565.db2.gz INZZBABJDQKYRA-QUCCMNQESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101540218 1364606760 /nfs/dbraw/zinc/60/67/60/1364606760.db2.gz AFAUNUZNNSQJDY-LJQANCHMSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101540217 1364607115 /nfs/dbraw/zinc/60/71/15/1364607115.db2.gz AFAUNUZNNSQJDY-IBGZPJMESA-N 2 1 349.563 3.124 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101548725 1364611834 /nfs/dbraw/zinc/61/18/34/1364611834.db2.gz GBGBMMIDERLQLR-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001101579573 1364632046 /nfs/dbraw/zinc/63/20/46/1364632046.db2.gz MSKKEFNUJBJLBN-UHFFFAOYSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001101582163 1364634242 /nfs/dbraw/zinc/63/42/42/1364634242.db2.gz BMRLTBVMHQKIRR-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001101963174 1364792336 /nfs/dbraw/zinc/79/23/36/1364792336.db2.gz OYTKIWOQDNQRBR-FBYXPACISA-N 2 1 349.563 3.290 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001101963174 1364792337 /nfs/dbraw/zinc/79/23/37/1364792337.db2.gz OYTKIWOQDNQRBR-FBYXPACISA-N 2 1 349.563 3.290 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001101963174 1364792341 /nfs/dbraw/zinc/79/23/41/1364792341.db2.gz OYTKIWOQDNQRBR-FBYXPACISA-N 2 1 349.563 3.290 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102062188 1364829101 /nfs/dbraw/zinc/82/91/01/1364829101.db2.gz ZQRLVQSZMUCXSY-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001102062188 1364829104 /nfs/dbraw/zinc/82/91/04/1364829104.db2.gz ZQRLVQSZMUCXSY-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001102062188 1364829109 /nfs/dbraw/zinc/82/91/09/1364829109.db2.gz ZQRLVQSZMUCXSY-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102062187 1364829348 /nfs/dbraw/zinc/82/93/48/1364829348.db2.gz ZQRLVQSZMUCXSY-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001102062187 1364829351 /nfs/dbraw/zinc/82/93/51/1364829351.db2.gz ZQRLVQSZMUCXSY-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001102062187 1364829354 /nfs/dbraw/zinc/82/93/54/1364829354.db2.gz ZQRLVQSZMUCXSY-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102214752 1364937662 /nfs/dbraw/zinc/93/76/62/1364937662.db2.gz CEPDCKNZNNOPBV-JNVNVXKGSA-N 2 1 349.563 3.291 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC001185448658 1387719744 /nfs/dbraw/zinc/71/97/44/1387719744.db2.gz ZBBVMPUGSUZYBQ-ZWKOTPCHSA-N 2 1 339.568 3.229 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102601407 1365131318 /nfs/dbraw/zinc/13/13/18/1365131318.db2.gz BPLPUCVCTQXMGM-AQNXPRMDSA-N 2 1 349.563 3.147 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001103060487 1365359115 /nfs/dbraw/zinc/35/91/15/1365359115.db2.gz OTPJAXQFIAJWEB-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001103060487 1365359119 /nfs/dbraw/zinc/35/91/19/1365359119.db2.gz OTPJAXQFIAJWEB-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001103060487 1365359122 /nfs/dbraw/zinc/35/91/22/1365359122.db2.gz OTPJAXQFIAJWEB-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001103086480 1365373783 /nfs/dbraw/zinc/37/37/83/1365373783.db2.gz FIEAPHYMKURBOE-AQNXPRMDSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001103086480 1365373788 /nfs/dbraw/zinc/37/37/88/1365373788.db2.gz FIEAPHYMKURBOE-AQNXPRMDSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001103086480 1365373790 /nfs/dbraw/zinc/37/37/90/1365373790.db2.gz FIEAPHYMKURBOE-AQNXPRMDSA-N 2 1 349.563 3.290 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103380300 1365526025 /nfs/dbraw/zinc/52/60/25/1365526025.db2.gz OMFMDDRVRYTDCG-QWFCFKBJSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001103495766 1365597402 /nfs/dbraw/zinc/59/74/02/1365597402.db2.gz RXVBGJGIGDSDTO-QWFCFKBJSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001103534032 1365618289 /nfs/dbraw/zinc/61/82/89/1365618289.db2.gz OMPZTLUFPLRSQN-IEBWSBKVSA-N 2 1 348.535 3.236 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001103534032 1365618291 /nfs/dbraw/zinc/61/82/91/1365618291.db2.gz OMPZTLUFPLRSQN-IEBWSBKVSA-N 2 1 348.535 3.236 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001103664530 1365712628 /nfs/dbraw/zinc/71/26/28/1365712628.db2.gz HDUCFLIETOJLAJ-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C ZINC001103664530 1365712629 /nfs/dbraw/zinc/71/26/29/1365712629.db2.gz HDUCFLIETOJLAJ-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C ZINC001103664530 1365712631 /nfs/dbraw/zinc/71/26/31/1365712631.db2.gz HDUCFLIETOJLAJ-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CCC1CCCCC1 ZINC001103999713 1365867699 /nfs/dbraw/zinc/86/76/99/1365867699.db2.gz IIIWWATUWNJTNN-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CC1CCCC1 ZINC001104311056 1365979365 /nfs/dbraw/zinc/97/93/65/1365979365.db2.gz PQQJDAXKMVCEFN-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104589064 1366089951 /nfs/dbraw/zinc/08/99/51/1366089951.db2.gz UBJUSKXJWDRMRZ-ILENRSAMSA-N 2 1 349.563 3.147 20 0 EGADMP CC[C@@H](C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104682421 1366129828 /nfs/dbraw/zinc/12/98/28/1366129828.db2.gz PNPWYCKWMRHTQZ-KZNAEPCWSA-N 2 1 339.568 3.085 20 0 EGADMP CC[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104682422 1366129933 /nfs/dbraw/zinc/12/99/33/1366129933.db2.gz PNPWYCKWMRHTQZ-RCCFBDPRSA-N 2 1 339.568 3.085 20 0 EGADMP CC[C@@H](C)C[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001104742706 1366153409 /nfs/dbraw/zinc/15/34/09/1366153409.db2.gz HWAILKWMKXVEOV-KZNAEPCWSA-N 2 1 348.535 3.127 20 0 EGADMP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001104937790 1366231294 /nfs/dbraw/zinc/23/12/94/1366231294.db2.gz HQLCOSCMSKTCQZ-FAPWYTRCSA-N 2 1 337.552 3.149 20 0 EGADMP CC(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396822 1366445846 /nfs/dbraw/zinc/44/58/46/1366445846.db2.gz WWYVYZSGUYZPRA-FQEVSTJZSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001105396822 1366445848 /nfs/dbraw/zinc/44/58/48/1366445848.db2.gz WWYVYZSGUYZPRA-FQEVSTJZSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001105396822 1366445851 /nfs/dbraw/zinc/44/58/51/1366445851.db2.gz WWYVYZSGUYZPRA-FQEVSTJZSA-N 2 1 349.563 3.076 20 0 EGADMP CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CCC1 ZINC001105541565 1366520367 /nfs/dbraw/zinc/52/03/67/1366520367.db2.gz DOSQCVRBYATINO-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001105557042 1366529647 /nfs/dbraw/zinc/52/96/47/1366529647.db2.gz VWLNHXGQSWDKCH-RBUKOAKNSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC=C(C)C)CCC1 ZINC001105571932 1366538726 /nfs/dbraw/zinc/53/87/26/1366538726.db2.gz CDUKTYROQDHNJY-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105572603 1366539139 /nfs/dbraw/zinc/53/91/39/1366539139.db2.gz WNJRDULXVOEKDI-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105575266 1366540497 /nfs/dbraw/zinc/54/04/97/1366540497.db2.gz WUDXTMJEGSXFFM-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106133049 1366613845 /nfs/dbraw/zinc/61/38/45/1366613845.db2.gz DQWRLMVSVJSMLW-GUDVDZBRSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001106357953 1366668451 /nfs/dbraw/zinc/66/84/51/1366668451.db2.gz QQIGAXWNEDECDF-PFRNKHFKSA-N 2 1 349.563 3.147 20 0 EGADMP C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001106479533 1366707773 /nfs/dbraw/zinc/70/77/73/1366707773.db2.gz FNGUIGHYZGIGOR-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001106729748 1366782853 /nfs/dbraw/zinc/78/28/53/1366782853.db2.gz XNLJQEABENDMCH-VJQBDMSCSA-N 2 1 349.563 3.290 20 0 EGADMP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001106869141 1366820571 /nfs/dbraw/zinc/82/05/71/1366820571.db2.gz STFATAWGIMOACZ-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001107038974 1366863150 /nfs/dbraw/zinc/86/31/50/1366863150.db2.gz JFYVOCCDCSOTQH-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107436409 1366962971 /nfs/dbraw/zinc/96/29/71/1366962971.db2.gz YMXCCXXOGGOMCN-QWFCFKBJSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107436409 1366962972 /nfs/dbraw/zinc/96/29/72/1366962972.db2.gz YMXCCXXOGGOMCN-QWFCFKBJSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001107436409 1366962975 /nfs/dbraw/zinc/96/29/75/1366962975.db2.gz YMXCCXXOGGOMCN-QWFCFKBJSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107439389 1366963865 /nfs/dbraw/zinc/96/38/65/1366963865.db2.gz YXEBRJWBIMHAKY-UYAOXDASSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107439389 1366963868 /nfs/dbraw/zinc/96/38/68/1366963868.db2.gz YXEBRJWBIMHAKY-UYAOXDASSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107439389 1366963873 /nfs/dbraw/zinc/96/38/73/1366963873.db2.gz YXEBRJWBIMHAKY-UYAOXDASSA-N 2 1 335.536 3.022 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107524162 1367017592 /nfs/dbraw/zinc/01/75/92/1367017592.db2.gz KWWKVSVEWMDGHT-WBWXQYNJSA-N 2 1 349.563 3.435 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107554107 1367039912 /nfs/dbraw/zinc/03/99/12/1367039912.db2.gz ZOYWNQBURGMSDC-UECNCYPVSA-N 2 1 349.563 3.434 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CC1)CC2 ZINC001107582241 1367056729 /nfs/dbraw/zinc/05/67/29/1367056729.db2.gz ZBWNHDMOBFIMEX-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2 ZINC001107582241 1367056731 /nfs/dbraw/zinc/05/67/31/1367056731.db2.gz ZBWNHDMOBFIMEX-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2 ZINC001107582241 1367056735 /nfs/dbraw/zinc/05/67/35/1367056735.db2.gz ZBWNHDMOBFIMEX-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2 ZINC001107614677 1367073804 /nfs/dbraw/zinc/07/38/04/1367073804.db2.gz HDRHEOQYGFSQKX-YLJYHZDGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)(C)C)CC2 ZINC001107614677 1367073807 /nfs/dbraw/zinc/07/38/07/1367073807.db2.gz HDRHEOQYGFSQKX-YLJYHZDGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)(C)C)CC2 ZINC001107614677 1367073813 /nfs/dbraw/zinc/07/38/13/1367073813.db2.gz HDRHEOQYGFSQKX-YLJYHZDGSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107635611 1367086855 /nfs/dbraw/zinc/08/68/55/1367086855.db2.gz TWQONBNGCUZTFN-UYAOXDASSA-N 2 1 346.519 3.133 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107635611 1367086862 /nfs/dbraw/zinc/08/68/62/1367086862.db2.gz TWQONBNGCUZTFN-UYAOXDASSA-N 2 1 346.519 3.133 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001109473907 1367145644 /nfs/dbraw/zinc/14/56/44/1367145644.db2.gz JRQFVWISBMPKPP-PUBDRRPBSA-N 2 1 347.547 3.185 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001109473907 1367145649 /nfs/dbraw/zinc/14/56/49/1367145649.db2.gz JRQFVWISBMPKPP-PUBDRRPBSA-N 2 1 347.547 3.185 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001109473907 1367145653 /nfs/dbraw/zinc/14/56/53/1367145653.db2.gz JRQFVWISBMPKPP-PUBDRRPBSA-N 2 1 347.547 3.185 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485146 1367153085 /nfs/dbraw/zinc/15/30/85/1367153085.db2.gz MTAWPKJSNTYACR-AFUKVVIOSA-N 2 1 345.531 3.083 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190084902 1367169804 /nfs/dbraw/zinc/16/98/04/1367169804.db2.gz TYXVCSMUFKQIAN-JNVNVXKGSA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190084902 1367169808 /nfs/dbraw/zinc/16/98/08/1367169808.db2.gz TYXVCSMUFKQIAN-JNVNVXKGSA-N 2 1 335.536 3.138 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084902 1367169811 /nfs/dbraw/zinc/16/98/11/1367169811.db2.gz TYXVCSMUFKQIAN-JNVNVXKGSA-N 2 1 335.536 3.138 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109520035 1367173673 /nfs/dbraw/zinc/17/36/73/1367173673.db2.gz FULSDSWGZCWTSB-NEWSRXKRSA-N 2 1 340.471 3.250 20 0 EGADMP Cc1cnc2cc(C(=O)N3CC[C@H]([N@@H+](C)CCC(C)(C)C)C3)ccn12 ZINC001190178461 1367192859 /nfs/dbraw/zinc/19/28/59/1367192859.db2.gz WKCIXUOWERLFLC-KRWDZBQOSA-N 2 1 342.487 3.225 20 0 EGADMP CC(C)=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190178136 1367193113 /nfs/dbraw/zinc/19/31/13/1367193113.db2.gz TXOKFQSUZHUSDT-AZUAARDMSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190178136 1367193120 /nfs/dbraw/zinc/19/31/20/1367193120.db2.gz TXOKFQSUZHUSDT-AZUAARDMSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190178136 1367193121 /nfs/dbraw/zinc/19/31/21/1367193121.db2.gz TXOKFQSUZHUSDT-AZUAARDMSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109560906 1367198160 /nfs/dbraw/zinc/19/81/60/1367198160.db2.gz XJFKXCLIDZMDTI-QYZOEREBSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001109560906 1367198167 /nfs/dbraw/zinc/19/81/67/1367198167.db2.gz XJFKXCLIDZMDTI-QYZOEREBSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001109560906 1367198170 /nfs/dbraw/zinc/19/81/70/1367198170.db2.gz XJFKXCLIDZMDTI-QYZOEREBSA-N 2 1 335.536 3.019 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190213081 1367200517 /nfs/dbraw/zinc/20/05/17/1367200517.db2.gz VIBBRFAOIWZOFL-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001190246353 1367209043 /nfs/dbraw/zinc/20/90/43/1367209043.db2.gz BCSIIELXWPYTEX-KBSZCIAZSA-N 2 1 346.519 3.286 20 0 EGADMP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190246353 1367209047 /nfs/dbraw/zinc/20/90/47/1367209047.db2.gz BCSIIELXWPYTEX-KBSZCIAZSA-N 2 1 346.519 3.286 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190246353 1367209051 /nfs/dbraw/zinc/20/90/51/1367209051.db2.gz BCSIIELXWPYTEX-KBSZCIAZSA-N 2 1 346.519 3.286 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190324750 1367227139 /nfs/dbraw/zinc/22/71/39/1367227139.db2.gz NMNOINXPMOEZCG-INPAECQJSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481295 1367273855 /nfs/dbraw/zinc/27/38/55/1367273855.db2.gz SOAONVMWQDLDAN-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001190491404 1367275830 /nfs/dbraw/zinc/27/58/30/1367275830.db2.gz GWBSQWRHIVGXBR-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001190491404 1367275836 /nfs/dbraw/zinc/27/58/36/1367275836.db2.gz GWBSQWRHIVGXBR-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001190491404 1367275842 /nfs/dbraw/zinc/27/58/42/1367275842.db2.gz GWBSQWRHIVGXBR-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001109688612 1367283032 /nfs/dbraw/zinc/28/30/32/1367283032.db2.gz XWDXQPUNHXGUDK-FUMNGEBKSA-N 2 1 347.547 3.185 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190652783 1367316934 /nfs/dbraw/zinc/31/69/34/1367316934.db2.gz AOHVZOOXDALACE-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190652783 1367316939 /nfs/dbraw/zinc/31/69/39/1367316939.db2.gz AOHVZOOXDALACE-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190652783 1367316947 /nfs/dbraw/zinc/31/69/47/1367316947.db2.gz AOHVZOOXDALACE-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190652784 1367317945 /nfs/dbraw/zinc/31/79/45/1367317945.db2.gz AOHVZOOXDALACE-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190652784 1367317948 /nfs/dbraw/zinc/31/79/48/1367317948.db2.gz AOHVZOOXDALACE-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190652784 1367317952 /nfs/dbraw/zinc/31/79/52/1367317952.db2.gz AOHVZOOXDALACE-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP C[N@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190654837 1367319036 /nfs/dbraw/zinc/31/90/36/1367319036.db2.gz MDJVZQPOSZUQNL-DLBZAZTESA-N 2 1 346.519 3.120 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190654837 1367319043 /nfs/dbraw/zinc/31/90/43/1367319043.db2.gz MDJVZQPOSZUQNL-DLBZAZTESA-N 2 1 346.519 3.120 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C)C(C)C ZINC001109860083 1367364040 /nfs/dbraw/zinc/36/40/40/1367364040.db2.gz KGYIXTQVLMHRQQ-XWSJACJDSA-N 2 1 337.552 3.120 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860228 1367364075 /nfs/dbraw/zinc/36/40/75/1367364075.db2.gz RDDVVULRSWWCEH-SFNPZSGNSA-N 2 1 349.563 3.431 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191163703 1367436874 /nfs/dbraw/zinc/43/68/74/1367436874.db2.gz ZTLKNTWYJGEQPK-SJLPKXTDSA-N 2 1 342.487 3.163 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001110014651 1367458356 /nfs/dbraw/zinc/45/83/56/1367458356.db2.gz BPGSRJMWISYZFA-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001110014651 1367458359 /nfs/dbraw/zinc/45/83/59/1367458359.db2.gz BPGSRJMWISYZFA-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001110014651 1367458362 /nfs/dbraw/zinc/45/83/62/1367458362.db2.gz BPGSRJMWISYZFA-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001110017862 1367460011 /nfs/dbraw/zinc/46/00/11/1367460011.db2.gz PZAUJEJPWYXSAX-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001110017862 1367460014 /nfs/dbraw/zinc/46/00/14/1367460014.db2.gz PZAUJEJPWYXSAX-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001110017862 1367460020 /nfs/dbraw/zinc/46/00/20/1367460020.db2.gz PZAUJEJPWYXSAX-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110114738 1367508037 /nfs/dbraw/zinc/50/80/37/1367508037.db2.gz CYRHDPXKDHYRQC-QYZOEREBSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CC[C@H]([N@@H+](C)CC3CC(C)(C)C3)C2)CCCC1 ZINC001191562168 1367528377 /nfs/dbraw/zinc/52/83/77/1367528377.db2.gz ZGGIPRHVCKBPFT-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)c1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192046676 1367674570 /nfs/dbraw/zinc/67/45/70/1367674570.db2.gz OKKKQTSSPPIYBU-IBGZPJMESA-N 2 1 345.531 3.185 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC2=CCCCC2)C1)[NH+](CC)CC ZINC001192317694 1367748480 /nfs/dbraw/zinc/74/84/80/1367748480.db2.gz ULZHHRHMQVPHEY-RBUKOAKNSA-N 2 1 335.536 3.140 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192656950 1367843498 /nfs/dbraw/zinc/84/34/98/1367843498.db2.gz VYCMVUUALMZVGK-OALUTQOASA-N 2 1 337.552 3.364 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC001192858684 1367890295 /nfs/dbraw/zinc/89/02/95/1367890295.db2.gz RXWYMOIMWFZUDO-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001192858684 1367890300 /nfs/dbraw/zinc/89/03/00/1367890300.db2.gz RXWYMOIMWFZUDO-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2cc(C)ccc2C)C1 ZINC001192946330 1367908852 /nfs/dbraw/zinc/90/88/52/1367908852.db2.gz AQEXDPBHBKETRX-OALUTQOASA-N 2 1 345.531 3.239 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1)C1CCC1 ZINC001110673854 1367913818 /nfs/dbraw/zinc/91/38/18/1367913818.db2.gz WHWMYFSCDJQRCU-AQNXPRMDSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1)C1CCC1 ZINC001110673854 1367913823 /nfs/dbraw/zinc/91/38/23/1367913823.db2.gz WHWMYFSCDJQRCU-AQNXPRMDSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1)C1CCC1 ZINC001110673854 1367913827 /nfs/dbraw/zinc/91/38/27/1367913827.db2.gz WHWMYFSCDJQRCU-AQNXPRMDSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001110683108 1367925487 /nfs/dbraw/zinc/92/54/87/1367925487.db2.gz QOAWXHKDIXVLAG-WTGUMLROSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001110683108 1367925491 /nfs/dbraw/zinc/92/54/91/1367925491.db2.gz QOAWXHKDIXVLAG-WTGUMLROSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001110683108 1367925493 /nfs/dbraw/zinc/92/54/93/1367925493.db2.gz QOAWXHKDIXVLAG-WTGUMLROSA-N 2 1 347.547 3.163 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193206259 1367965732 /nfs/dbraw/zinc/96/57/32/1367965732.db2.gz YWIKAKKBMMSEFW-AQKVLALTSA-N 2 1 349.563 3.386 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193561145 1368062248 /nfs/dbraw/zinc/06/22/48/1368062248.db2.gz WOTNABXSXOSFAA-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2ccccc2C)C1 ZINC001193600938 1368070726 /nfs/dbraw/zinc/07/07/26/1368070726.db2.gz OXTLEZNJFAVGFF-OALUTQOASA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001193600938 1368070732 /nfs/dbraw/zinc/07/07/32/1368070732.db2.gz OXTLEZNJFAVGFF-OALUTQOASA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001193600938 1368070744 /nfs/dbraw/zinc/07/07/44/1368070744.db2.gz OXTLEZNJFAVGFF-OALUTQOASA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)Cc2cc(C)ccc2C)C1 ZINC001193600763 1368071160 /nfs/dbraw/zinc/07/11/60/1368071160.db2.gz LCRVIUJYPQSJJG-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)ccc2C)C1 ZINC001193600763 1368071169 /nfs/dbraw/zinc/07/11/69/1368071169.db2.gz LCRVIUJYPQSJJG-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2C)C1 ZINC001193600763 1368071175 /nfs/dbraw/zinc/07/11/75/1368071175.db2.gz LCRVIUJYPQSJJG-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)c1 ZINC001110979933 1368131634 /nfs/dbraw/zinc/13/16/34/1368131634.db2.gz JMBJHUKVLDDENE-CUDHKJQZSA-N 2 1 343.515 3.038 20 0 EGADMP C[C@@H](c1ccccc1Cl)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979808 1368132056 /nfs/dbraw/zinc/13/20/56/1368132056.db2.gz DVUZJMRSKZKEMV-JFTQMJAMSA-N 2 1 349.906 3.074 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1)[NH+](CC)CC ZINC001111018291 1368143744 /nfs/dbraw/zinc/14/37/44/1368143744.db2.gz PQFCSAFAHKCSDW-ZRNYENFQSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001111100994 1368157775 /nfs/dbraw/zinc/15/77/75/1368157775.db2.gz HDPSXKJFFIRIQI-KURKYZTESA-N 2 1 344.503 3.084 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001111100994 1368157777 /nfs/dbraw/zinc/15/77/77/1368157777.db2.gz HDPSXKJFFIRIQI-KURKYZTESA-N 2 1 344.503 3.084 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](C)CC ZINC001111160013 1368170377 /nfs/dbraw/zinc/17/03/77/1368170377.db2.gz ALNPQSGOOXIZKL-MKXGPGLRSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](C)CC ZINC001111160013 1368170382 /nfs/dbraw/zinc/17/03/82/1368170382.db2.gz ALNPQSGOOXIZKL-MKXGPGLRSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CC ZINC001111160013 1368170386 /nfs/dbraw/zinc/17/03/86/1368170386.db2.gz ALNPQSGOOXIZKL-MKXGPGLRSA-N 2 1 337.552 3.266 20 0 EGADMP C[N@@H+](CC1CCCCC1)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081481 1368179144 /nfs/dbraw/zinc/17/91/44/1368179144.db2.gz PYSJNNOMJYOGMS-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194273993 1368221915 /nfs/dbraw/zinc/22/19/15/1368221915.db2.gz CQGFNLAMDYKFGE-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1)c1ccccc1 ZINC001194274859 1368222842 /nfs/dbraw/zinc/22/28/42/1368222842.db2.gz NDQNOSLBCGXIGX-RTBURBONSA-N 2 1 345.531 3.258 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1)c1ccccc1 ZINC001194274859 1368222845 /nfs/dbraw/zinc/22/28/45/1368222845.db2.gz NDQNOSLBCGXIGX-RTBURBONSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111297721 1368257631 /nfs/dbraw/zinc/25/76/31/1368257631.db2.gz QWRDRVMVIDKTNU-AFYVEPGGSA-N 2 1 343.515 3.201 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](CC)c1ccccc1 ZINC001111312749 1368262822 /nfs/dbraw/zinc/26/28/22/1368262822.db2.gz WBESRURGUWPXCA-WTGUMLROSA-N 2 1 343.515 3.201 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](CC)c1ccccc1 ZINC001111312749 1368262828 /nfs/dbraw/zinc/26/28/28/1368262828.db2.gz WBESRURGUWPXCA-WTGUMLROSA-N 2 1 343.515 3.201 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](CC)c1ccccc1 ZINC001111312749 1368262831 /nfs/dbraw/zinc/26/28/31/1368262831.db2.gz WBESRURGUWPXCA-WTGUMLROSA-N 2 1 343.515 3.201 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467444 1368311107 /nfs/dbraw/zinc/31/11/07/1368311107.db2.gz JDDUXVJCOBUNQP-XWHCPSPJSA-N 2 1 347.547 3.185 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111459540 1368312191 /nfs/dbraw/zinc/31/21/91/1368312191.db2.gz CBMRQERZOVOHPY-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111460502 1368312275 /nfs/dbraw/zinc/31/22/75/1368312275.db2.gz WEZFEFLXKSBMGK-NMLBUPMWSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001186412494 1387937132 /nfs/dbraw/zinc/93/71/32/1387937132.db2.gz NIKWROMKLDTZQN-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782402 1368459482 /nfs/dbraw/zinc/45/94/82/1368459482.db2.gz HIADKJRWOKNIQD-ZJOUEHCJSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001111782402 1368459483 /nfs/dbraw/zinc/45/94/83/1368459483.db2.gz HIADKJRWOKNIQD-ZJOUEHCJSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001111782402 1368459487 /nfs/dbraw/zinc/45/94/87/1368459487.db2.gz HIADKJRWOKNIQD-ZJOUEHCJSA-N 2 1 349.563 3.412 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001111868530 1368516377 /nfs/dbraw/zinc/51/63/77/1368516377.db2.gz BIQMLBBUHPLJHD-RUGMWBQTSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196163664 1368559801 /nfs/dbraw/zinc/55/98/01/1368559801.db2.gz RJPAPBFNGGZEAO-WUUFJKRQSA-N 2 1 347.547 3.284 20 0 EGADMP CC/C=C/CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001196163664 1368559805 /nfs/dbraw/zinc/55/98/05/1368559805.db2.gz RJPAPBFNGGZEAO-WUUFJKRQSA-N 2 1 347.547 3.284 20 0 EGADMP CC/C=C/CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001196163664 1368559809 /nfs/dbraw/zinc/55/98/09/1368559809.db2.gz RJPAPBFNGGZEAO-WUUFJKRQSA-N 2 1 347.547 3.284 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111926928 1368563543 /nfs/dbraw/zinc/56/35/43/1368563543.db2.gz QEHZDOYJJJKEJT-KDCRJJDASA-N 2 1 335.536 3.045 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CC)C1 ZINC001111926928 1368563546 /nfs/dbraw/zinc/56/35/46/1368563546.db2.gz QEHZDOYJJJKEJT-KDCRJJDASA-N 2 1 335.536 3.045 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CC)C1 ZINC001111926928 1368563547 /nfs/dbraw/zinc/56/35/47/1368563547.db2.gz QEHZDOYJJJKEJT-KDCRJJDASA-N 2 1 335.536 3.045 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CCCCC1)C2 ZINC001111952557 1368572085 /nfs/dbraw/zinc/57/20/85/1368572085.db2.gz NVLGQQFVFDLZCX-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1CCCCC1)C2 ZINC001111952557 1368572088 /nfs/dbraw/zinc/57/20/88/1368572088.db2.gz NVLGQQFVFDLZCX-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1CCCCC1)C2 ZINC001111952557 1368572092 /nfs/dbraw/zinc/57/20/92/1368572092.db2.gz NVLGQQFVFDLZCX-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1c(C(=O)N2CCC[N@H+](CCCC(C)C)CC2)ccc2c[nH+]cn21 ZINC001196382689 1368603467 /nfs/dbraw/zinc/60/34/67/1368603467.db2.gz RTADAYHTUJHCBK-UHFFFAOYSA-N 2 1 342.487 3.227 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196656576 1368657135 /nfs/dbraw/zinc/65/71/35/1368657135.db2.gz RLZJFKGGSLPRDN-WAYWQWQTSA-N 2 1 335.536 3.142 20 0 EGADMP CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CCC)C2 ZINC001112567526 1368930990 /nfs/dbraw/zinc/93/09/90/1368930990.db2.gz UYQPPSLOTWBHRB-GXGIYUIGSA-N 2 1 349.563 3.293 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC([C@@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC001186605304 1387984247 /nfs/dbraw/zinc/98/42/47/1387984247.db2.gz NNZPJSIVQBQGRO-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)[C@H](CN[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC001199170627 1369187416 /nfs/dbraw/zinc/18/74/16/1369187416.db2.gz KQPSKYLOASZSHK-UIFIKXQLSA-N 2 1 331.548 3.463 20 0 EGADMP CCC(CC)[C@H](CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC001199170627 1369187421 /nfs/dbraw/zinc/18/74/21/1369187421.db2.gz KQPSKYLOASZSHK-UIFIKXQLSA-N 2 1 331.548 3.463 20 0 EGADMP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001200577999 1369393669 /nfs/dbraw/zinc/39/36/69/1369393669.db2.gz JNELMWDLDRIYNJ-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+](C)CCC(=O)N1CC[NH+](Cc2ccccc2C(C)C)CC1 ZINC001113571358 1369497008 /nfs/dbraw/zinc/49/70/08/1369497008.db2.gz JLHVPDWXZPVCQT-UHFFFAOYSA-N 2 1 345.531 3.186 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[NH+](Cc2ccccc2C(C)C)CC1 ZINC001113571358 1369497012 /nfs/dbraw/zinc/49/70/12/1369497012.db2.gz JLHVPDWXZPVCQT-UHFFFAOYSA-N 2 1 345.531 3.186 20 0 EGADMP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201230531 1369499808 /nfs/dbraw/zinc/49/98/08/1369499808.db2.gz UBPJLKKGPJFONK-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)(C)CC[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001201231001 1369500731 /nfs/dbraw/zinc/50/07/31/1369500731.db2.gz YTQNRWJJNGIROJ-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP CCc1cccc(C[NH2+]C2CCN(C(=O)C(C)(C)[N@H+](C)CC)CC2)c1 ZINC001201321598 1369518852 /nfs/dbraw/zinc/51/88/52/1369518852.db2.gz QGGIECSPXZVRHT-UHFFFAOYSA-N 2 1 345.531 3.060 20 0 EGADMP CCOC(=O)C1CC[NH+](C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001201389279 1369533552 /nfs/dbraw/zinc/53/35/52/1369533552.db2.gz KSEDFNVWCPNBEW-UHFFFAOYSA-N 2 1 336.520 3.306 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001113684100 1369564259 /nfs/dbraw/zinc/56/42/59/1369564259.db2.gz OAFYPVAJLWFDIA-AZUAARDMSA-N 2 1 345.531 3.116 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001187034751 1388043312 /nfs/dbraw/zinc/04/33/12/1388043312.db2.gz NAJLUUBLNPUJGD-HEVSSNLLSA-N 2 1 343.515 3.226 20 0 EGADMP Clc1ccccc1C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001203379511 1370105997 /nfs/dbraw/zinc/10/59/97/1370105997.db2.gz RRTZLOZCZBJMPW-UHFFFAOYSA-N 2 1 344.890 3.191 20 0 EGADMP Clc1ccccc1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001203379511 1370106000 /nfs/dbraw/zinc/10/60/00/1370106000.db2.gz RRTZLOZCZBJMPW-UHFFFAOYSA-N 2 1 344.890 3.191 20 0 EGADMP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203425098 1370120058 /nfs/dbraw/zinc/12/00/58/1370120058.db2.gz AFTORDFMHIGOPN-IRXDYDNUSA-N 2 1 337.552 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001203442019 1370128315 /nfs/dbraw/zinc/12/83/15/1370128315.db2.gz BVNIYFUDZBUUEI-INIZCTEOSA-N 2 1 349.494 3.199 20 0 EGADMP COc1ccc(OC)c(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c1 ZINC001203523254 1370154505 /nfs/dbraw/zinc/15/45/05/1370154505.db2.gz NOHCBITWPPRFPK-UHFFFAOYSA-N 2 1 341.455 3.146 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C12CCC2 ZINC001203652545 1370201864 /nfs/dbraw/zinc/20/18/64/1370201864.db2.gz VMPOCZCWJQYDTD-MOPGFXCFSA-N 2 1 347.547 3.236 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001115104372 1370281929 /nfs/dbraw/zinc/28/19/29/1370281929.db2.gz ULWAGRHYQJNNET-AQFUDJSHSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001115104372 1370281933 /nfs/dbraw/zinc/28/19/33/1370281933.db2.gz ULWAGRHYQJNNET-AQFUDJSHSA-N 2 1 347.547 3.044 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001203904529 1370308705 /nfs/dbraw/zinc/30/87/05/1370308705.db2.gz ZMOMVDNLQGOPCK-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+](CC(=O)N1CCC([NH2+]CCC(C)(C)C)CC1)Cc1ccccc1 ZINC001204075628 1370368594 /nfs/dbraw/zinc/36/85/94/1370368594.db2.gz BHPCIOAFPZHSRA-UHFFFAOYSA-N 2 1 345.531 3.135 20 0 EGADMP C[N@@H+](CC(=O)N1CCC([NH2+]CCC(C)(C)C)CC1)Cc1ccccc1 ZINC001204075628 1370368596 /nfs/dbraw/zinc/36/85/96/1370368596.db2.gz BHPCIOAFPZHSRA-UHFFFAOYSA-N 2 1 345.531 3.135 20 0 EGADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC001204243496 1370419279 /nfs/dbraw/zinc/41/92/79/1370419279.db2.gz VTNZLYCMFKZXDQ-YZGWKJHDSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccoc3)C[C@@H]21 ZINC001204243496 1370419283 /nfs/dbraw/zinc/41/92/83/1370419283.db2.gz VTNZLYCMFKZXDQ-YZGWKJHDSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccoc3)C[C@@H]21 ZINC001204243496 1370419286 /nfs/dbraw/zinc/41/92/86/1370419286.db2.gz VTNZLYCMFKZXDQ-YZGWKJHDSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccoc3)C[C@@H]21 ZINC001204243496 1370419290 /nfs/dbraw/zinc/41/92/90/1370419290.db2.gz VTNZLYCMFKZXDQ-YZGWKJHDSA-N 2 1 325.456 3.407 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccoc3)C[C@@H]21 ZINC001204243496 1370419294 /nfs/dbraw/zinc/41/92/94/1370419294.db2.gz VTNZLYCMFKZXDQ-YZGWKJHDSA-N 2 1 325.456 3.407 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccoc3)C[C@@H]21 ZINC001204243496 1370419296 /nfs/dbraw/zinc/41/92/96/1370419296.db2.gz VTNZLYCMFKZXDQ-YZGWKJHDSA-N 2 1 325.456 3.407 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC001204243496 1370419300 /nfs/dbraw/zinc/41/93/00/1370419300.db2.gz VTNZLYCMFKZXDQ-YZGWKJHDSA-N 2 1 325.456 3.407 20 0 EGADMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C)c(C)c3)CC2)C1 ZINC001204357256 1370452034 /nfs/dbraw/zinc/45/20/34/1370452034.db2.gz QOEHVBKXFNXAGV-IBGZPJMESA-N 2 1 344.499 3.153 20 0 EGADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C)c(C)c3)CC2)C1 ZINC001204357256 1370452037 /nfs/dbraw/zinc/45/20/37/1370452037.db2.gz QOEHVBKXFNXAGV-IBGZPJMESA-N 2 1 344.499 3.153 20 0 EGADMP Cc1csc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001204376688 1370458799 /nfs/dbraw/zinc/45/87/99/1370458799.db2.gz QYGIDGYZMGUIIP-UHFFFAOYSA-N 2 1 342.512 3.335 20 0 EGADMP Cc1csc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001204376688 1370458801 /nfs/dbraw/zinc/45/88/01/1370458801.db2.gz QYGIDGYZMGUIIP-UHFFFAOYSA-N 2 1 342.512 3.335 20 0 EGADMP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115451021 1370459349 /nfs/dbraw/zinc/45/93/49/1370459349.db2.gz XROOXHVBKCDDLB-DUMMIQTOSA-N 2 1 335.536 3.236 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5c(c4)CCO5)C[C@H]3C2)cc1 ZINC001204492300 1370490920 /nfs/dbraw/zinc/49/09/20/1370490920.db2.gz KMCCSRBXYJFAEP-NHCUHLMSSA-N 2 1 334.463 3.185 20 0 EGADMP Cc1c(F)cccc1CN1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001204509365 1370497487 /nfs/dbraw/zinc/49/74/87/1370497487.db2.gz YYDCEEYQIMATPT-FQEVSTJZSA-N 2 1 334.479 3.457 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(C)cc(C)c1)C2 ZINC001204522363 1370502982 /nfs/dbraw/zinc/50/29/82/1370502982.db2.gz WYWGHQQEMXREFU-YADHBBJMSA-N 2 1 342.527 3.484 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115535300 1370532325 /nfs/dbraw/zinc/53/23/25/1370532325.db2.gz QEVHDYJUQGSGJZ-GOSISDBHSA-N 2 1 335.536 3.068 20 0 EGADMP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCCC1 ZINC001115544815 1370542030 /nfs/dbraw/zinc/54/20/30/1370542030.db2.gz CHBBGAAUYAUSCG-OXUXSNCKSA-N 2 1 349.563 3.482 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCC(C)C)CCCCC2)CC[N@H+]1C ZINC001115547420 1370544046 /nfs/dbraw/zinc/54/40/46/1370544046.db2.gz YAWFDJAYCXABHX-ZWKOTPCHSA-N 2 1 337.552 3.172 20 0 EGADMP COc1cccc(Sc2ccccc2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC001204704359 1370549859 /nfs/dbraw/zinc/54/98/59/1370549859.db2.gz BTTKFTCOYRVFHH-CALCHBBNSA-N 2 1 340.492 3.498 20 0 EGADMP COc1cccc(Sc2ccccc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC001204704359 1370549862 /nfs/dbraw/zinc/54/98/62/1370549862.db2.gz BTTKFTCOYRVFHH-CALCHBBNSA-N 2 1 340.492 3.498 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204727715 1370556645 /nfs/dbraw/zinc/55/66/45/1370556645.db2.gz LDZFRIUWEIDUTC-UHFFFAOYSA-N 2 1 344.499 3.262 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCCCC1 ZINC001115563356 1370563026 /nfs/dbraw/zinc/56/30/26/1370563026.db2.gz SDADRDMQWROZID-IRXDYDNUSA-N 2 1 341.515 3.018 20 0 EGADMP CN(c1ccc(F)cc1)c1ccc(C[N@@H+]2CCO[C@@H](CC[NH3+])C2)cc1 ZINC001204757505 1370569005 /nfs/dbraw/zinc/56/90/05/1370569005.db2.gz YULAYOYDWOCXDO-FQEVSTJZSA-N 2 1 343.446 3.143 20 0 EGADMP CN(c1ccc(F)cc1)c1ccc(C[N@H+]2CCO[C@@H](CC[NH3+])C2)cc1 ZINC001204757505 1370569011 /nfs/dbraw/zinc/56/90/11/1370569011.db2.gz YULAYOYDWOCXDO-FQEVSTJZSA-N 2 1 343.446 3.143 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)[C@@H](C)CN1Cc1ccccc1 ZINC001204896081 1370599245 /nfs/dbraw/zinc/59/92/45/1370599245.db2.gz GBVZLLIXFYNOFC-MOPGFXCFSA-N 2 1 341.543 3.361 20 0 EGADMP CCOC(=O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC001204945445 1370612362 /nfs/dbraw/zinc/61/23/62/1370612362.db2.gz DJHRIQNTQYCQDB-PKOBYXMFSA-N 2 1 344.499 3.363 20 0 EGADMP CCOC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC001204945445 1370612366 /nfs/dbraw/zinc/61/23/66/1370612366.db2.gz DJHRIQNTQYCQDB-PKOBYXMFSA-N 2 1 344.499 3.363 20 0 EGADMP [NH3+]CC1CC[NH+](Cc2cc3c(F)cc(F)cc3nc2Cl)CC1 ZINC001205053095 1370638367 /nfs/dbraw/zinc/63/83/67/1370638367.db2.gz KSOAKPYYQWGXKH-UHFFFAOYSA-N 2 1 325.790 3.337 20 0 EGADMP COc1ccc(-c2ncc(C[N@H+]3CCC[C@H]([NH3+])CC3)s2)cc1OC ZINC001205110303 1370652657 /nfs/dbraw/zinc/65/26/57/1370652657.db2.gz RFJMFLIUPNECRH-AWEZNQCLSA-N 2 1 347.484 3.141 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccc(F)cc2OCc2ccccc2)C[C@H]1C[NH3+] ZINC001205145720 1370662692 /nfs/dbraw/zinc/66/26/92/1370662692.db2.gz COQZXYDOTGUPHB-MAUKXSAKSA-N 2 1 328.431 3.431 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(F)cc2OCc2ccccc2)C[C@H]1C[NH3+] ZINC001205145720 1370662697 /nfs/dbraw/zinc/66/26/97/1370662697.db2.gz COQZXYDOTGUPHB-MAUKXSAKSA-N 2 1 328.431 3.431 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccccc2Oc2ccccc2)CC1 ZINC001205220027 1370685142 /nfs/dbraw/zinc/68/51/42/1370685142.db2.gz IOFSMSZUAWNBAP-FQEVSTJZSA-N 2 1 326.440 3.155 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205264303 1370700673 /nfs/dbraw/zinc/70/06/73/1370700673.db2.gz JMIZXDAHYSUGEC-FQEVSTJZSA-N 2 1 326.488 3.252 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001205270932 1370702283 /nfs/dbraw/zinc/70/22/83/1370702283.db2.gz COHLBNGHVGMEFT-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)C[N@H+]2CCC(C)(C)C2)CCCCC1 ZINC001115730059 1370712391 /nfs/dbraw/zinc/71/23/91/1370712391.db2.gz BZBWVJBZJOACTE-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc2c1NC(C)(C)C=C2 ZINC001205317724 1370720059 /nfs/dbraw/zinc/72/00/59/1370720059.db2.gz PPYUFQJOFHTQEP-YOEHRIQHSA-N 2 1 329.488 3.329 20 0 EGADMP COc1cc(OC)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c2ccccc12 ZINC001205318344 1370720166 /nfs/dbraw/zinc/72/01/66/1370720166.db2.gz UJYYHMUTEGVXSA-CABCVRRESA-N 2 1 328.456 3.274 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115753790 1370734755 /nfs/dbraw/zinc/73/47/55/1370734755.db2.gz ABEXFUSHDHSGNS-UHFFFAOYSA-N 2 1 346.519 3.215 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCCCC1 ZINC001115754229 1370735397 /nfs/dbraw/zinc/73/53/97/1370735397.db2.gz WLTMPBXCYXGVPG-UHFFFAOYSA-N 2 1 334.508 3.071 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420535 1370749183 /nfs/dbraw/zinc/74/91/83/1370749183.db2.gz YXDJICVBTNKORE-UEKDZROGSA-N 2 1 335.536 3.045 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001205483404 1370768774 /nfs/dbraw/zinc/76/87/74/1370768774.db2.gz BXFOOWOPWJRUED-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP COc1ccc(Br)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205558001 1370791518 /nfs/dbraw/zinc/79/15/18/1370791518.db2.gz AFEXBFGOUISRFE-HNNXBMFYSA-N 2 1 345.256 3.111 20 0 EGADMP Cc1cccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1Br ZINC001205570506 1370795182 /nfs/dbraw/zinc/79/51/82/1370795182.db2.gz KSNFHHVLIOFSIF-HNNXBMFYSA-N 2 1 329.257 3.410 20 0 EGADMP CC(C)Oc1c(F)ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1F ZINC001205592589 1370804071 /nfs/dbraw/zinc/80/40/71/1370804071.db2.gz WRTLQUVJWORYPF-QGZVFWFLSA-N 2 1 330.394 3.405 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cccc(F)c2Br)CC[C@H]1C[NH3+] ZINC001205616907 1370812020 /nfs/dbraw/zinc/81/20/20/1370812020.db2.gz HNIGPISZEHLTNB-RYUDHWBXSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)CC[C@@H]1C[NH3+] ZINC001205636876 1370822082 /nfs/dbraw/zinc/82/20/82/1370822082.db2.gz FUYSOYPPCHRHNE-FXAWDEMLSA-N 2 1 339.483 3.467 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2nc(Cl)ccc2Br)CC[C@@H]1C[NH3+] ZINC001205638284 1370822229 /nfs/dbraw/zinc/82/22/29/1370822229.db2.gz LYKAMMPWEDBZLO-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2nc(Cl)ccc2Br)CC[C@@H]1C[NH3+] ZINC001205638284 1370822257 /nfs/dbraw/zinc/82/22/57/1370822257.db2.gz LYKAMMPWEDBZLO-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CC[C@H]1C[NH3+] ZINC001205652440 1370828590 /nfs/dbraw/zinc/82/85/90/1370828590.db2.gz PPYOFZIMUYPARK-RYUDHWBXSA-N 2 1 340.393 3.389 20 0 EGADMP COc1cccc(Br)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205651632 1370829216 /nfs/dbraw/zinc/82/92/16/1370829216.db2.gz HSTPAHFUXXNIPQ-STQMWFEESA-N 2 1 341.293 3.265 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cn2)CC[C@@H]1C[NH3+] ZINC001205653779 1370830295 /nfs/dbraw/zinc/83/02/95/1370830295.db2.gz VKUQMKLILQEIRA-PKOBYXMFSA-N 2 1 339.483 3.467 20 0 EGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001205693474 1370844708 /nfs/dbraw/zinc/84/47/08/1370844708.db2.gz WOWDKBNCRHNQHA-UHFFFAOYSA-N 2 1 326.387 3.316 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001205693474 1370844712 /nfs/dbraw/zinc/84/47/12/1370844712.db2.gz WOWDKBNCRHNQHA-UHFFFAOYSA-N 2 1 326.387 3.316 20 0 EGADMP CC(C)=CC[NH2+]CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001205763509 1370863797 /nfs/dbraw/zinc/86/37/97/1370863797.db2.gz SAJHBJISUGJDEI-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP Cc1cccnc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001205793662 1370872924 /nfs/dbraw/zinc/87/29/24/1370872924.db2.gz XJCOBLSHEFBZRV-UHFFFAOYSA-N 2 1 336.483 3.273 20 0 EGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001205830197 1370886455 /nfs/dbraw/zinc/88/64/55/1370886455.db2.gz RXSWOAHZHKYIAR-CJNGLKHVSA-N 2 1 330.863 3.356 20 0 EGADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001205830197 1370886459 /nfs/dbraw/zinc/88/64/59/1370886459.db2.gz RXSWOAHZHKYIAR-CJNGLKHVSA-N 2 1 330.863 3.356 20 0 EGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001116505721 1370925773 /nfs/dbraw/zinc/92/57/73/1370925773.db2.gz PVPIQWGBZDKFEJ-SJJHQCBESA-N 2 1 339.524 3.285 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCC[C@H]1C[NH3+] ZINC001205981697 1370929003 /nfs/dbraw/zinc/92/90/03/1370929003.db2.gz FLXRFPKUYKAAIW-GIVPXCGWSA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[C@H]1C[NH3+] ZINC001205981697 1370929006 /nfs/dbraw/zinc/92/90/06/1370929006.db2.gz FLXRFPKUYKAAIW-GIVPXCGWSA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[C@H]1C[NH3+] ZINC001205981697 1370929009 /nfs/dbraw/zinc/92/90/09/1370929009.db2.gz FLXRFPKUYKAAIW-GIVPXCGWSA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CCC[C@H]1C[NH3+] ZINC001205981697 1370929013 /nfs/dbraw/zinc/92/90/13/1370929013.db2.gz FLXRFPKUYKAAIW-GIVPXCGWSA-N 2 1 329.532 3.205 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CCC[C@H]1C[NH3+] ZINC001205981697 1370929016 /nfs/dbraw/zinc/92/90/16/1370929016.db2.gz FLXRFPKUYKAAIW-GIVPXCGWSA-N 2 1 329.532 3.205 20 0 EGADMP COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1OC ZINC001205992527 1370932082 /nfs/dbraw/zinc/93/20/82/1370932082.db2.gz DZSIQZGMXLNCLN-QWHCGFSZSA-N 2 1 326.868 3.164 20 0 EGADMP C[C@@H](CSC(C)(C)C)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001116540934 1370933579 /nfs/dbraw/zinc/93/35/79/1370933579.db2.gz UTYBVPMTEPHBMA-KRWDZBQOSA-N 2 1 349.588 3.444 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cnc(Br)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206002885 1370934474 /nfs/dbraw/zinc/93/44/74/1370934474.db2.gz CGXYKFXGPUSOQA-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cnc(Br)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206002885 1370934477 /nfs/dbraw/zinc/93/44/77/1370934477.db2.gz CGXYKFXGPUSOQA-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(Br)c2F)CCC[C@@H]1C[NH3+] ZINC001206004744 1370935310 /nfs/dbraw/zinc/93/53/10/1370935310.db2.gz UVXWSCFUDJTTOV-VXGBXAGGSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CCC[C@H]1C[NH3+] ZINC001206028774 1370943427 /nfs/dbraw/zinc/94/34/27/1370943427.db2.gz ZALPYBZBGZCQIA-STQMWFEESA-N 2 1 334.414 3.162 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)CCC[C@@H]1C[NH3+] ZINC001206036657 1370945035 /nfs/dbraw/zinc/94/50/35/1370945035.db2.gz NGMKWUZKVATPKN-YLJYHZDGSA-N 2 1 339.483 3.467 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cn2)CCC[C@@H]1C[NH3+] ZINC001206036565 1370945062 /nfs/dbraw/zinc/94/50/62/1370945062.db2.gz LLFRWLAQKRQSPB-IEBWSBKVSA-N 2 1 339.483 3.467 20 0 EGADMP CN(CCC[N@@H+](C)[C@H]1CC[C@@](C)(c2ccccc2)C1)CC[NH+](C)C ZINC001206135225 1370968447 /nfs/dbraw/zinc/96/84/47/1370968447.db2.gz FXBISVVZKDDFBN-LEWJYISDSA-N 2 1 331.548 3.312 20 0 EGADMP [NH3+][C@H]1CC[N@H+](CCCc2cccc(Br)c2)CC[C@@H]1F ZINC001206155484 1370974550 /nfs/dbraw/zinc/97/45/50/1370974550.db2.gz LSGQJIATVFFRER-GJZGRUSLSA-N 2 1 329.257 3.143 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](CCCc2cccc(Br)c2)CC[C@@H]1F ZINC001206155484 1370974552 /nfs/dbraw/zinc/97/45/52/1370974552.db2.gz LSGQJIATVFFRER-GJZGRUSLSA-N 2 1 329.257 3.143 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1OC1CCCC1 ZINC001206173005 1370980119 /nfs/dbraw/zinc/98/01/19/1370980119.db2.gz DTPMNQXZZUHJBB-IRXDYDNUSA-N 2 1 336.451 3.278 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1OC1CCCC1 ZINC001206173005 1370980124 /nfs/dbraw/zinc/98/01/24/1370980124.db2.gz DTPMNQXZZUHJBB-IRXDYDNUSA-N 2 1 336.451 3.278 20 0 EGADMP CS[C@@H]1CC[C@H]([N@@H+](C)CCCN2CCN(c3ccccc3)CC2)C1 ZINC001117133976 1371014058 /nfs/dbraw/zinc/01/40/58/1371014058.db2.gz RYVNAMXLWKMJOT-VQTJNVASSA-N 2 1 347.572 3.415 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCc2ccccc2Br)CC1 ZINC001206293940 1371014302 /nfs/dbraw/zinc/01/43/02/1371014302.db2.gz HYUWGTKCTQAMHJ-MRXNPFEDSA-N 2 1 325.294 3.443 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](C[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC001206297639 1371015241 /nfs/dbraw/zinc/01/52/41/1371015241.db2.gz ZBNCWKZFBNOAAZ-NHCUHLMSSA-N 2 1 329.532 3.492 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(O)c2Br)CC1 ZINC001206310854 1371017955 /nfs/dbraw/zinc/01/79/55/1371017955.db2.gz DLAVNZNHPASAIY-HNNXBMFYSA-N 2 1 327.266 3.106 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(O)cc(Br)c2)CC1 ZINC001206319156 1371019936 /nfs/dbraw/zinc/01/99/36/1371019936.db2.gz YPOWJMSAGKUKDP-HNNXBMFYSA-N 2 1 327.266 3.106 20 0 EGADMP CCOC(=O)c1ccc2c(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)c[nH]c2c1 ZINC001206337625 1371026676 /nfs/dbraw/zinc/02/66/76/1371026676.db2.gz UPZWDNUPKUSFIH-FQEVSTJZSA-N 2 1 343.471 3.296 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(Br)n1 ZINC001206336266 1371026875 /nfs/dbraw/zinc/02/68/75/1371026875.db2.gz KMPPUFFZFYCEKZ-HNNXBMFYSA-N 2 1 326.282 3.103 20 0 EGADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001206351482 1371029377 /nfs/dbraw/zinc/02/93/77/1371029377.db2.gz DASRSMPXSMNHIA-GOSISDBHSA-N 2 1 348.853 3.450 20 0 EGADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001206351482 1371029382 /nfs/dbraw/zinc/02/93/82/1371029382.db2.gz DASRSMPXSMNHIA-GOSISDBHSA-N 2 1 348.853 3.450 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206550173 1371091472 /nfs/dbraw/zinc/09/14/72/1371091472.db2.gz XAGMRWSZKHGSIF-FQEVSTJZSA-N 2 1 326.488 3.440 20 0 EGADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccccc2Oc2cnccn2)C1 ZINC001206575834 1371098808 /nfs/dbraw/zinc/09/88/08/1371098808.db2.gz ZKSROBRMWDNZFQ-LJQANCHMSA-N 2 1 326.444 3.220 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]CCC(C)C)CC1 ZINC001206621919 1371110455 /nfs/dbraw/zinc/11/04/55/1371110455.db2.gz LGXUEVUCDJGZRO-UHFFFAOYSA-N 2 1 339.568 3.373 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206809620 1371176222 /nfs/dbraw/zinc/17/62/22/1371176222.db2.gz LZJVUDCCWOBEIR-CVEARBPZSA-N 2 1 325.456 3.316 20 0 EGADMP c1ccc(N2CCCC2)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC001118568197 1371199663 /nfs/dbraw/zinc/19/96/63/1371199663.db2.gz MROWWBWREOBMKR-LJQANCHMSA-N 2 1 327.516 3.498 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001206889154 1371208718 /nfs/dbraw/zinc/20/87/18/1371208718.db2.gz CNGSLYXEDWDYOP-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001206954653 1371244349 /nfs/dbraw/zinc/24/43/49/1371244349.db2.gz QULPBBOTGKGIQD-INIZCTEOSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC(C[NH2+]CC2CCCCCC2)CC1 ZINC001206954399 1371244521 /nfs/dbraw/zinc/24/45/21/1371244521.db2.gz IARJQNDOIKCORA-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001206954831 1371244630 /nfs/dbraw/zinc/24/46/30/1371244630.db2.gz ZQKCVBOOTMTSMS-INIZCTEOSA-N 2 1 349.494 3.055 20 0 EGADMP O=c1[nH]cccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001207012846 1371266560 /nfs/dbraw/zinc/26/65/60/1371266560.db2.gz ZEJKIRGEVUFORA-MOPGFXCFSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1[nH]cccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001207012846 1371266564 /nfs/dbraw/zinc/26/65/64/1371266564.db2.gz ZEJKIRGEVUFORA-MOPGFXCFSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1[nH]cccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001207012846 1371266566 /nfs/dbraw/zinc/26/65/66/1371266566.db2.gz ZEJKIRGEVUFORA-MOPGFXCFSA-N 2 1 337.467 3.131 20 0 EGADMP CC[NH+](CC)CCN1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC001207124785 1371301448 /nfs/dbraw/zinc/30/14/48/1371301448.db2.gz BTWTWYPGXIEUNI-UHFFFAOYSA-N 2 1 325.447 3.084 20 0 EGADMP CCn1ccnc1C[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207146275 1371309220 /nfs/dbraw/zinc/30/92/20/1371309220.db2.gz LXXBDOCDIJTKCG-UHFFFAOYSA-N 2 1 326.488 3.247 20 0 EGADMP CCn1ccnc1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207146275 1371309225 /nfs/dbraw/zinc/30/92/25/1371309225.db2.gz LXXBDOCDIJTKCG-UHFFFAOYSA-N 2 1 326.488 3.247 20 0 EGADMP CCN1CCO[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207185543 1371322879 /nfs/dbraw/zinc/32/28/79/1371322879.db2.gz JOXCEOIGGOTGOU-RNIPGJKVSA-N 2 1 334.891 3.096 20 0 EGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207185543 1371322884 /nfs/dbraw/zinc/32/28/84/1371322884.db2.gz JOXCEOIGGOTGOU-RNIPGJKVSA-N 2 1 334.891 3.096 20 0 EGADMP CC[N@H+]1CCO[C@@H]2C[NH+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207185543 1371322891 /nfs/dbraw/zinc/32/28/91/1371322891.db2.gz JOXCEOIGGOTGOU-RNIPGJKVSA-N 2 1 334.891 3.096 20 0 EGADMP CCN1CCO[C@@H]2C[N@@H+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207185541 1371323410 /nfs/dbraw/zinc/32/34/10/1371323410.db2.gz JOXCEOIGGOTGOU-KCITZHQASA-N 2 1 334.891 3.096 20 0 EGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207185541 1371323413 /nfs/dbraw/zinc/32/34/13/1371323413.db2.gz JOXCEOIGGOTGOU-KCITZHQASA-N 2 1 334.891 3.096 20 0 EGADMP CC[N@H+]1CCO[C@@H]2C[NH+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207185541 1371323418 /nfs/dbraw/zinc/32/34/18/1371323418.db2.gz JOXCEOIGGOTGOU-KCITZHQASA-N 2 1 334.891 3.096 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207287246 1371351459 /nfs/dbraw/zinc/35/14/59/1371351459.db2.gz RCSRNPMNBVAONX-YLJYHZDGSA-N 2 1 344.499 3.172 20 0 EGADMP Cc1noc([C@@H]2CCC[N@H+]2CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001207292511 1371352590 /nfs/dbraw/zinc/35/25/90/1371352590.db2.gz RQMOUPUHGPGDAT-IBGZPJMESA-N 2 1 340.471 3.427 20 0 EGADMP c1ccc(C[NH+]2CCC(CN3CC[N@H+]4CCCC[C@H]4C3)CC2)cc1 ZINC001207291570 1371352820 /nfs/dbraw/zinc/35/28/20/1371352820.db2.gz TXTSBRHQNUZTMU-NRFANRHFSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@@H+]3CCN4CCCC[C@H]4C3)CC2)cc1 ZINC001207291570 1371352825 /nfs/dbraw/zinc/35/28/25/1371352825.db2.gz TXTSBRHQNUZTMU-NRFANRHFSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCN4CCCC[C@H]4C3)CC2)cc1 ZINC001207291570 1371352830 /nfs/dbraw/zinc/35/28/30/1371352830.db2.gz TXTSBRHQNUZTMU-NRFANRHFSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001207402726 1371386439 /nfs/dbraw/zinc/38/64/39/1371386439.db2.gz MNAZSPHBWMRVFP-FCHUYYIVSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001207402726 1371386453 /nfs/dbraw/zinc/38/64/53/1371386453.db2.gz MNAZSPHBWMRVFP-FCHUYYIVSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001207402726 1371386455 /nfs/dbraw/zinc/38/64/55/1371386455.db2.gz MNAZSPHBWMRVFP-FCHUYYIVSA-N 3 1 341.543 3.172 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@@H]4CCCOC4)CC[C@H]3C2)cc1 ZINC001207470371 1371404922 /nfs/dbraw/zinc/40/49/22/1371404922.db2.gz UPWRATJMKHVZJV-PCCBWWKXSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCOC4)CC[C@H]3C2)cc1 ZINC001207470371 1371404926 /nfs/dbraw/zinc/40/49/26/1371404926.db2.gz UPWRATJMKHVZJV-PCCBWWKXSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCOC4)CC[C@H]3C2)cc1 ZINC001207470371 1371404928 /nfs/dbraw/zinc/40/49/28/1371404928.db2.gz UPWRATJMKHVZJV-PCCBWWKXSA-N 2 1 328.500 3.257 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207483607 1371410112 /nfs/dbraw/zinc/41/01/12/1371410112.db2.gz GJIDOJDCKBCIHV-UHFFFAOYSA-N 2 1 329.532 3.315 20 0 EGADMP C[N@H+](Cc1ccccc1)C1CCN(CCC2CC[NH+](C)CC2)CC1 ZINC001207483607 1371410118 /nfs/dbraw/zinc/41/01/18/1371410118.db2.gz GJIDOJDCKBCIHV-UHFFFAOYSA-N 2 1 329.532 3.315 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCN(CCC2CC[NH+](C)CC2)CC1 ZINC001207483607 1371410126 /nfs/dbraw/zinc/41/01/26/1371410126.db2.gz GJIDOJDCKBCIHV-UHFFFAOYSA-N 2 1 329.532 3.315 20 0 EGADMP CN(Cc1ccccc1)C1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207483607 1371410131 /nfs/dbraw/zinc/41/01/31/1371410131.db2.gz GJIDOJDCKBCIHV-UHFFFAOYSA-N 2 1 329.532 3.315 20 0 EGADMP COc1ccccc1O[C@H]1CCC[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207485161 1371410546 /nfs/dbraw/zinc/41/05/46/1371410546.db2.gz SFUVVPZWMHSPLC-SFHVURJKSA-N 2 1 332.488 3.270 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001207488361 1371411885 /nfs/dbraw/zinc/41/18/85/1371411885.db2.gz JMIRZALBKWDEFY-HXUWFJFHSA-N 2 1 344.499 3.174 20 0 EGADMP CC(C)c1ccc(CC[NH+]2CCN(CC3CC[NH+](C)CC3)CC2)cc1 ZINC001207524130 1371425524 /nfs/dbraw/zinc/42/55/24/1371425524.db2.gz OCEFGWYITMJYQK-UHFFFAOYSA-N 2 1 343.559 3.312 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001207541202 1371430202 /nfs/dbraw/zinc/43/02/02/1371430202.db2.gz YBWFCDRIPATWIL-PDTMIUJASA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001207541202 1371430205 /nfs/dbraw/zinc/43/02/05/1371430205.db2.gz YBWFCDRIPATWIL-PDTMIUJASA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001207541202 1371430208 /nfs/dbraw/zinc/43/02/08/1371430208.db2.gz YBWFCDRIPATWIL-PDTMIUJASA-N 2 1 349.563 3.432 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001207541070 1371430706 /nfs/dbraw/zinc/43/07/06/1371430706.db2.gz RSXJWUXTFDSMFD-YSNLUETFSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001207541070 1371430709 /nfs/dbraw/zinc/43/07/09/1371430709.db2.gz RSXJWUXTFDSMFD-YSNLUETFSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001207541070 1371430712 /nfs/dbraw/zinc/43/07/12/1371430712.db2.gz RSXJWUXTFDSMFD-YSNLUETFSA-N 2 1 335.536 3.042 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)C[C@@H]2C1 ZINC001119990950 1371445173 /nfs/dbraw/zinc/44/51/73/1371445173.db2.gz ZZNUZMJLCRXHHL-XYJFISCASA-N 2 1 325.456 3.103 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207617034 1371453217 /nfs/dbraw/zinc/45/32/17/1371453217.db2.gz MPAJQMMSVVTFRE-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001207617034 1371453218 /nfs/dbraw/zinc/45/32/18/1371453218.db2.gz MPAJQMMSVVTFRE-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001207617034 1371453219 /nfs/dbraw/zinc/45/32/19/1371453219.db2.gz MPAJQMMSVVTFRE-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C/CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120010069 1371453556 /nfs/dbraw/zinc/45/35/56/1371453556.db2.gz KRASCEROWDKSBR-UEKDZROGSA-N 2 1 349.563 3.483 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC001120207750 1371504294 /nfs/dbraw/zinc/50/42/94/1371504294.db2.gz DGLWMUZZZPYWSM-RCLKMUNOSA-N 2 1 341.927 3.022 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001207868220 1371525866 /nfs/dbraw/zinc/52/58/66/1371525866.db2.gz MCJLKIKEBMLLPJ-GPMSIDNRSA-N 2 1 342.487 3.067 20 0 EGADMP CC1(C)OC[C@H](C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)O1 ZINC001207932299 1371542261 /nfs/dbraw/zinc/54/22/61/1371542261.db2.gz SFLJTYLQUDJTGM-PXTPFGJHSA-N 2 1 346.515 3.033 20 0 EGADMP CC1(C)OC[C@H](C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)O1 ZINC001207932299 1371542262 /nfs/dbraw/zinc/54/22/62/1371542262.db2.gz SFLJTYLQUDJTGM-PXTPFGJHSA-N 2 1 346.515 3.033 20 0 EGADMP CC1(C)OC[C@H](C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)O1 ZINC001207932299 1371542266 /nfs/dbraw/zinc/54/22/66/1371542266.db2.gz SFLJTYLQUDJTGM-PXTPFGJHSA-N 2 1 346.515 3.033 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC2=CCCCC2)C1 ZINC001120430563 1371573626 /nfs/dbraw/zinc/57/36/26/1371573626.db2.gz LTILGNSZZCWZRG-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH+]2CCC(C)C)C1 ZINC001120439859 1371576897 /nfs/dbraw/zinc/57/68/97/1371576897.db2.gz JFOIDYMXWWPQBK-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CCC(C)C)C1 ZINC001120439859 1371576902 /nfs/dbraw/zinc/57/69/02/1371576902.db2.gz JFOIDYMXWWPQBK-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CCC(C)C)C1 ZINC001120439859 1371576905 /nfs/dbraw/zinc/57/69/05/1371576905.db2.gz JFOIDYMXWWPQBK-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120450189 1371580918 /nfs/dbraw/zinc/58/09/18/1371580918.db2.gz SZPDPKJOLBWOOF-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001120450189 1371580924 /nfs/dbraw/zinc/58/09/24/1371580924.db2.gz SZPDPKJOLBWOOF-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001120450189 1371580928 /nfs/dbraw/zinc/58/09/28/1371580928.db2.gz SZPDPKJOLBWOOF-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CC2CCCC2)C1 ZINC001120469609 1371588131 /nfs/dbraw/zinc/58/81/31/1371588131.db2.gz LDAIZCMNZURLIB-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC2CCCC2)C1 ZINC001120469609 1371588136 /nfs/dbraw/zinc/58/81/36/1371588136.db2.gz LDAIZCMNZURLIB-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC2CCCC2)C1 ZINC001120469609 1371588141 /nfs/dbraw/zinc/58/81/41/1371588141.db2.gz LDAIZCMNZURLIB-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208111325 1371598725 /nfs/dbraw/zinc/59/87/25/1371598725.db2.gz KGGYUZWKOVOOIT-LEWJYISDSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(C)(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208111325 1371598728 /nfs/dbraw/zinc/59/87/28/1371598728.db2.gz KGGYUZWKOVOOIT-LEWJYISDSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC(C)(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208111325 1371598732 /nfs/dbraw/zinc/59/87/32/1371598732.db2.gz KGGYUZWKOVOOIT-LEWJYISDSA-N 3 1 341.543 3.172 20 0 EGADMP CN(CC1(C[NH+](C)C)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208181954 1371623670 /nfs/dbraw/zinc/62/36/70/1371623670.db2.gz DGJVFHFPSCYUAC-HXUWFJFHSA-N 2 1 329.532 3.315 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208330690 1371720563 /nfs/dbraw/zinc/72/05/63/1371720563.db2.gz COEXHLHNEXKTIX-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208334563 1371722149 /nfs/dbraw/zinc/72/21/49/1371722149.db2.gz JXIFYWSHLRKJMR-IEBWSBKVSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C)[NH+](CC)CC ZINC001208571741 1371822829 /nfs/dbraw/zinc/82/28/29/1371822829.db2.gz RWAPIOUDYNKGKO-BHIYHBOVSA-N 2 1 335.536 3.044 20 0 EGADMP FC1CC[NH+](C2CN(C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001208588383 1371829736 /nfs/dbraw/zinc/82/97/36/1371829736.db2.gz HEXYDDBFNSXBKM-FQEVSTJZSA-N 2 1 345.506 3.159 20 0 EGADMP FC1CC[NH+](C2CN(C[C@@H]3CCCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001208588383 1371829743 /nfs/dbraw/zinc/82/97/43/1371829743.db2.gz HEXYDDBFNSXBKM-FQEVSTJZSA-N 2 1 345.506 3.159 20 0 EGADMP CC[NH+]1CCC(C[N@@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC001208593237 1371832542 /nfs/dbraw/zinc/83/25/42/1371832542.db2.gz QXBSKHYSYBBLAG-IYBDPMFKSA-N 2 1 339.524 3.048 20 0 EGADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)CC1 ZINC001208596066 1371834562 /nfs/dbraw/zinc/83/45/62/1371834562.db2.gz ATGSOSWAUWJXGQ-SZPZYZBQSA-N 3 1 341.543 3.091 20 0 EGADMP CC[NH+]1CCC(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@@H]3C2)CC1 ZINC001208596066 1371834566 /nfs/dbraw/zinc/83/45/66/1371834566.db2.gz ATGSOSWAUWJXGQ-SZPZYZBQSA-N 3 1 341.543 3.091 20 0 EGADMP CC[NH+]1CCC(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc(C)cc4)C[C@@H]3C2)CC1 ZINC001208596066 1371834568 /nfs/dbraw/zinc/83/45/68/1371834568.db2.gz ATGSOSWAUWJXGQ-SZPZYZBQSA-N 3 1 341.543 3.091 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)CC1 ZINC001208596066 1371834572 /nfs/dbraw/zinc/83/45/72/1371834572.db2.gz ATGSOSWAUWJXGQ-SZPZYZBQSA-N 2 1 341.543 3.091 20 0 EGADMP CC[NH+]1CCC(C[N@@H+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)CC1 ZINC001208596066 1371834573 /nfs/dbraw/zinc/83/45/73/1371834573.db2.gz ATGSOSWAUWJXGQ-SZPZYZBQSA-N 2 1 341.543 3.091 20 0 EGADMP CC[NH+]1CCC(C[NH+]2C[C@@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)CC1 ZINC001208596067 1371834607 /nfs/dbraw/zinc/83/46/07/1371834607.db2.gz ATGSOSWAUWJXGQ-VXKWHMMOSA-N 2 1 341.543 3.091 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](Cc2cccc(OC)c2)[C@@H](C)COC)CC1 ZINC001208599810 1371835787 /nfs/dbraw/zinc/83/57/87/1371835787.db2.gz CDACBRBXKJYOMA-KRWDZBQOSA-N 2 1 334.504 3.264 20 0 EGADMP CC[NH+]1CCC(C[N@@H+]2Cc3cnc(-c4ccc(F)cc4)nc3C2)CC1 ZINC001208601208 1371836364 /nfs/dbraw/zinc/83/63/64/1371836364.db2.gz JWCLBBAVJYPTJK-UHFFFAOYSA-N 2 1 340.446 3.330 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2Cc3cnc(-c4ccc(F)cc4)nc3C2)CC1 ZINC001208601208 1371836380 /nfs/dbraw/zinc/83/63/80/1371836380.db2.gz JWCLBBAVJYPTJK-UHFFFAOYSA-N 2 1 340.446 3.330 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)C1 ZINC001208619439 1371844874 /nfs/dbraw/zinc/84/48/74/1371844874.db2.gz XNKVEBYPIHKWIV-XSLAGTTESA-N 2 1 336.520 3.303 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)C1 ZINC001208619439 1371844876 /nfs/dbraw/zinc/84/48/76/1371844876.db2.gz XNKVEBYPIHKWIV-XSLAGTTESA-N 2 1 336.520 3.303 20 0 EGADMP C[NH+]1CCC[C@H](C[N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)C1 ZINC001208619439 1371844878 /nfs/dbraw/zinc/84/48/78/1371844878.db2.gz XNKVEBYPIHKWIV-XSLAGTTESA-N 2 1 336.520 3.303 20 0 EGADMP C[NH+]1CCC[C@H](C[N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)C1 ZINC001208619439 1371844879 /nfs/dbraw/zinc/84/48/79/1371844879.db2.gz XNKVEBYPIHKWIV-XSLAGTTESA-N 2 1 336.520 3.303 20 0 EGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CCC1CC1)CC2 ZINC001208681443 1371859145 /nfs/dbraw/zinc/85/91/45/1371859145.db2.gz WOVVMFCHAYOEFA-FQEVSTJZSA-N 2 1 343.515 3.185 20 0 EGADMP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001121133615 1371863249 /nfs/dbraw/zinc/86/32/49/1371863249.db2.gz FNHZZQHEFKFPLG-JSMKSKOISA-N 2 1 349.563 3.314 20 0 EGADMP CC/C=C\CC[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001208727714 1371875645 /nfs/dbraw/zinc/87/56/45/1371875645.db2.gz HLSVFBYNCZBNCO-ARJAWSKDSA-N 2 1 343.515 3.352 20 0 EGADMP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121232341 1371901761 /nfs/dbraw/zinc/90/17/61/1371901761.db2.gz DYXAQMBDAFKUFP-MBEFBZSESA-N 2 1 347.547 3.233 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001121348345 1371946092 /nfs/dbraw/zinc/94/60/92/1371946092.db2.gz WHCMJKULYXTURO-SGPNKGFISA-N 2 1 349.563 3.170 20 0 EGADMP Cc1noc([C@H]2CC[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001208940472 1371953652 /nfs/dbraw/zinc/95/36/52/1371953652.db2.gz RZYBYPXKXQQCOY-OALUTQOASA-N 2 1 340.471 3.080 20 0 EGADMP Cc1noc([C@H]2CC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC001208940472 1371953655 /nfs/dbraw/zinc/95/36/55/1371953655.db2.gz RZYBYPXKXQQCOY-OALUTQOASA-N 2 1 340.471 3.080 20 0 EGADMP Cc1noc([C@H]2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC001208940472 1371953658 /nfs/dbraw/zinc/95/36/58/1371953658.db2.gz RZYBYPXKXQQCOY-OALUTQOASA-N 2 1 340.471 3.080 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC[C@@]4(C3)CCCOC4)C2)cc1 ZINC001208940050 1371954831 /nfs/dbraw/zinc/95/48/31/1371954831.db2.gz OEAZXZRZHYRNSK-LEWJYISDSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC[C@@]4(C3)CCCOC4)C2)cc1 ZINC001208940050 1371954833 /nfs/dbraw/zinc/95/48/33/1371954833.db2.gz OEAZXZRZHYRNSK-LEWJYISDSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CC[C@@]4(C3)CCCOC4)C2)cc1 ZINC001208940050 1371954835 /nfs/dbraw/zinc/95/48/35/1371954835.db2.gz OEAZXZRZHYRNSK-LEWJYISDSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN3CCC([NH+]4CCCCC4)CC3)C2)cc1 ZINC001208946837 1371959076 /nfs/dbraw/zinc/95/90/76/1371959076.db2.gz IZNUZTYKBVLQCK-OAQYLSRUSA-N 2 1 341.543 3.459 20 0 EGADMP F[C@H]1CN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1[NH+]1CCCC1 ZINC001208965435 1371965380 /nfs/dbraw/zinc/96/53/80/1371965380.db2.gz ZSGMEZLUDKORCL-ACRUOGEOSA-N 2 1 345.506 3.017 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209133479 1372009574 /nfs/dbraw/zinc/00/95/74/1372009574.db2.gz FDOFBKFBKZSKNN-PFRNKHFKSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142880 1372013033 /nfs/dbraw/zinc/01/30/33/1372013033.db2.gz WWXUEVHOABWUJG-DSTKZSRVSA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209142880 1372013038 /nfs/dbraw/zinc/01/30/38/1372013038.db2.gz WWXUEVHOABWUJG-DSTKZSRVSA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209142880 1372013045 /nfs/dbraw/zinc/01/30/45/1372013045.db2.gz WWXUEVHOABWUJG-DSTKZSRVSA-N 2 1 349.563 3.432 20 0 EGADMP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001121861421 1372106548 /nfs/dbraw/zinc/10/65/48/1372106548.db2.gz WAUDHVQVGNWJKZ-MBEFBZSESA-N 2 1 347.547 3.233 20 0 EGADMP c1ccc(OC[C@@]23CCC[C@@H]2C[N@H+](CCC[NH+]2CCCCC2)C3)nc1 ZINC001209451578 1372108899 /nfs/dbraw/zinc/10/88/99/1372108899.db2.gz JAQJQXBZZMGHKG-CTNGQTDRSA-N 2 1 343.515 3.439 20 0 EGADMP CCCC[NH+]1CCC([N@H+](C)C[C@H](CC)NC(=O)OC(C)(C)C)CC1 ZINC001209472828 1372115606 /nfs/dbraw/zinc/11/56/06/1372115606.db2.gz GRAQQYHCNFUCLX-INIZCTEOSA-N 2 1 341.540 3.486 20 0 EGADMP CCCC[NH+]1CCC([N@@H+](C)C[C@H](CC)NC(=O)OC(C)(C)C)CC1 ZINC001209472828 1372115611 /nfs/dbraw/zinc/11/56/11/1372115611.db2.gz GRAQQYHCNFUCLX-INIZCTEOSA-N 2 1 341.540 3.486 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001121915609 1372121737 /nfs/dbraw/zinc/12/17/37/1372121737.db2.gz KRCFHCSAMYGTPW-UHFFFAOYSA-N 2 1 346.519 3.179 20 0 EGADMP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001121915718 1372122165 /nfs/dbraw/zinc/12/21/65/1372122165.db2.gz NCIHFWRHFKNRIA-YUCHZMFVSA-N 2 1 346.519 3.035 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001209566277 1372137809 /nfs/dbraw/zinc/13/78/09/1372137809.db2.gz VJUMOITYLIRVQO-QZTJIDSGSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCCC)C[C@H]1C ZINC001209566277 1372137803 /nfs/dbraw/zinc/13/78/03/1372137803.db2.gz VJUMOITYLIRVQO-QZTJIDSGSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCCC)C[C@H]1C ZINC001209566277 1372137806 /nfs/dbraw/zinc/13/78/06/1372137806.db2.gz VJUMOITYLIRVQO-QZTJIDSGSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC001209561820 1372138240 /nfs/dbraw/zinc/13/82/40/1372138240.db2.gz LKBOURFGOMNWRJ-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001209561820 1372138254 /nfs/dbraw/zinc/13/82/54/1372138254.db2.gz LKBOURFGOMNWRJ-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001209561820 1372138272 /nfs/dbraw/zinc/13/82/72/1372138272.db2.gz LKBOURFGOMNWRJ-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)N1CCOC[C@]2(CCC[N@H+](Cc3ccccc3N(C)C)C2)C1 ZINC001209773146 1372191570 /nfs/dbraw/zinc/19/15/70/1372191570.db2.gz CFTROOOSTOOYHR-NRFANRHFSA-N 2 1 345.531 3.075 20 0 EGADMP CC(C)N1CCOC[C@]2(CCC[N@@H+](Cc3ccccc3N(C)C)C2)C1 ZINC001209773146 1372191574 /nfs/dbraw/zinc/19/15/74/1372191574.db2.gz CFTROOOSTOOYHR-NRFANRHFSA-N 2 1 345.531 3.075 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccccc3N(C)C)C2)C1 ZINC001209773146 1372191578 /nfs/dbraw/zinc/19/15/78/1372191578.db2.gz CFTROOOSTOOYHR-NRFANRHFSA-N 2 1 345.531 3.075 20 0 EGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccccc3N(C)C)C2)C1 ZINC001209773146 1372191580 /nfs/dbraw/zinc/19/15/80/1372191580.db2.gz CFTROOOSTOOYHR-NRFANRHFSA-N 2 1 345.531 3.075 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccccc3N(C)C)C2)C1 ZINC001209773146 1372191584 /nfs/dbraw/zinc/19/15/84/1372191584.db2.gz CFTROOOSTOOYHR-NRFANRHFSA-N 2 1 345.531 3.075 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccccc3N(C)C)C2)C1 ZINC001209773146 1372191590 /nfs/dbraw/zinc/19/15/90/1372191590.db2.gz CFTROOOSTOOYHR-NRFANRHFSA-N 2 1 345.531 3.075 20 0 EGADMP [NH3+]Cc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001122433962 1372247086 /nfs/dbraw/zinc/24/70/86/1372247086.db2.gz XSXLEDRJYDGQEL-QGZVFWFLSA-N 2 1 341.430 3.135 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210427594 1372350679 /nfs/dbraw/zinc/35/06/79/1372350679.db2.gz XOZMWWYYZZWNGI-QWFCFKBJSA-N 2 1 345.531 3.224 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001210492444 1372365842 /nfs/dbraw/zinc/36/58/42/1372365842.db2.gz BIYOSSBCKBRCRY-LJQANCHMSA-N 2 1 345.531 3.232 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCC2)C1)c1ccccc1 ZINC001210642031 1372398095 /nfs/dbraw/zinc/39/80/95/1372398095.db2.gz ADIAVHZTOYLKHB-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210643788 1372399084 /nfs/dbraw/zinc/39/90/84/1372399084.db2.gz LEUYGAXEKIIKBC-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374392 1372543340 /nfs/dbraw/zinc/54/33/40/1372543340.db2.gz GCMQDNWUVBNWAD-RLLQIKCJSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374392 1372543345 /nfs/dbraw/zinc/54/33/45/1372543345.db2.gz GCMQDNWUVBNWAD-RLLQIKCJSA-N 2 1 345.531 3.162 20 0 EGADMP Cc1[nH+]c2c(Nc3cccc(N4CC[NH+](C)CC4)c3)cccn2c1C ZINC001212712920 1372759246 /nfs/dbraw/zinc/75/92/46/1372759246.db2.gz KSQGDWIJVUQBJR-UHFFFAOYSA-N 2 1 335.455 3.447 20 0 EGADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636981 1373094117 /nfs/dbraw/zinc/09/41/17/1373094117.db2.gz ZJEHZHJOERQKDE-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001214661794 1373098764 /nfs/dbraw/zinc/09/87/64/1373098764.db2.gz DTHVWDCPUIKWJX-CNPAMDGFSA-N 2 1 346.519 3.189 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356467 1373118950 /nfs/dbraw/zinc/11/89/50/1373118950.db2.gz DCYWUAHIPRQFGF-ZWKOTPCHSA-N 2 1 337.552 3.029 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001214845337 1373128746 /nfs/dbraw/zinc/12/87/46/1373128746.db2.gz OOQHKOVOLLYAFZ-IEVDXQOXSA-N 2 1 349.563 3.147 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001214998012 1373153434 /nfs/dbraw/zinc/15/34/34/1373153434.db2.gz PYBXGFOOMABTDY-SJLPKXTDSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326584289 1388247553 /nfs/dbraw/zinc/24/75/53/1388247553.db2.gz VBKHULBGKHVTSN-ZWKOTPCHSA-N 2 1 343.515 3.026 20 0 EGADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001216323356 1373300399 /nfs/dbraw/zinc/30/03/99/1373300399.db2.gz CTLDVRZSXAOGFS-GUDVDZBRSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC001129418622 1373381468 /nfs/dbraw/zinc/38/14/68/1373381468.db2.gz VYAPGIGQLVEPSC-VQTJNVASSA-N 2 1 343.515 3.251 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CC/C=C/c1ccccc1 ZINC001129422409 1373382092 /nfs/dbraw/zinc/38/20/92/1373382092.db2.gz IHUDIELUHDFZDG-OJWOGGGRSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001129423987 1373382240 /nfs/dbraw/zinc/38/22/40/1373382240.db2.gz ZKNFTMJULXPLSR-SFHVURJKSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001129423878 1373382383 /nfs/dbraw/zinc/38/23/83/1373382383.db2.gz XXXRYQBRBOGTAR-UYAOXDASSA-N 2 1 343.515 3.033 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001129422106 1373382427 /nfs/dbraw/zinc/38/24/27/1373382427.db2.gz FROBOQWPYHUXCX-HKUYNNGSSA-N 2 1 331.504 3.025 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CC/C=C\c1ccccc1 ZINC001129422411 1373382593 /nfs/dbraw/zinc/38/25/93/1373382593.db2.gz IHUDIELUHDFZDG-QLQLNADESA-N 2 1 343.515 3.059 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C)c1cccc2ccccc21 ZINC001130305804 1373488311 /nfs/dbraw/zinc/48/83/11/1373488311.db2.gz LRCUOPUPZDAIIE-OXQOHEQNSA-N 2 1 339.483 3.091 20 0 EGADMP CC(C)(C)C[C@H]([NH3+])c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217713059 1373493120 /nfs/dbraw/zinc/49/31/20/1373493120.db2.gz JZMBHKJANRAQJV-CVEARBPZSA-N 2 1 328.460 3.495 20 0 EGADMP CC(C)(C)C[C@H]([NH3+])c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217713059 1373493126 /nfs/dbraw/zinc/49/31/26/1373493126.db2.gz JZMBHKJANRAQJV-CVEARBPZSA-N 2 1 328.460 3.495 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3OC[C@@H]2CCC[NH2+]C2)cc1 ZINC001217808200 1373503157 /nfs/dbraw/zinc/50/31/57/1373503157.db2.gz BEWJFXWHVCCJLH-MQEZQYLSSA-N 2 1 328.500 3.303 20 0 EGADMP c1ccc(C[N@@H+]2CCO[C@@H](COCCCCC3CC[NH2+]CC3)C2)cc1 ZINC001217840763 1373506625 /nfs/dbraw/zinc/50/66/25/1373506625.db2.gz PZIAABSOBMYENI-OAQYLSRUSA-N 2 1 346.515 3.074 20 0 EGADMP c1ccc(C[N@H+]2CCO[C@@H](COCCCCC3CC[NH2+]CC3)C2)cc1 ZINC001217840763 1373506629 /nfs/dbraw/zinc/50/66/29/1373506629.db2.gz PZIAABSOBMYENI-OAQYLSRUSA-N 2 1 346.515 3.074 20 0 EGADMP C[C@H](OCCCCCCC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001217870417 1373508751 /nfs/dbraw/zinc/50/87/51/1373508751.db2.gz SSDOCAXFXGUJBD-ICSRJNTNSA-N 2 1 334.504 3.202 20 0 EGADMP C[C@H](OCCCCCCC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001217870417 1373508755 /nfs/dbraw/zinc/50/87/55/1373508755.db2.gz SSDOCAXFXGUJBD-ICSRJNTNSA-N 2 1 334.504 3.202 20 0 EGADMP c1ccc(C[N@H+]2CCCO[C@H](COCCC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001217888196 1373509775 /nfs/dbraw/zinc/50/97/75/1373509775.db2.gz OLAJRMHXYNJLHG-CTNGQTDRSA-N 2 1 346.515 3.074 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](Oc2ccc4c(n2)CC[NH2+]C4)C3)cc1 ZINC001218342938 1373600340 /nfs/dbraw/zinc/60/03/40/1373600340.db2.gz AXDHADULOFBNAC-PMOLBWCYSA-N 2 1 349.478 3.302 20 0 EGADMP C[N@@H+](CCC(=O)NCC[NH2+]C/C=C/c1ccccc1)C1CCCCC1 ZINC001131815795 1373819214 /nfs/dbraw/zinc/81/92/14/1373819214.db2.gz ULABPPGJNULQOF-DHZHZOJOSA-N 2 1 343.515 3.060 20 0 EGADMP COc1ccc2c(c1)[nH]nc2C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222173119 1373819175 /nfs/dbraw/zinc/81/91/75/1373819175.db2.gz QYWONFUPICJEQA-HXUWFJFHSA-N 2 1 342.487 3.317 20 0 EGADMP COc1ccc2c(c1)[nH]nc2C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222173119 1373819180 /nfs/dbraw/zinc/81/91/80/1373819180.db2.gz QYWONFUPICJEQA-HXUWFJFHSA-N 2 1 342.487 3.317 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815707 1373819289 /nfs/dbraw/zinc/81/92/89/1373819289.db2.gz QFFHFVHIKDESDO-KRWDZBQOSA-N 2 1 325.541 3.029 20 0 EGADMP C[N@H+]1CCC[C@H](OC[C@@]2(C)C[NH+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152635 1375097011 /nfs/dbraw/zinc/09/70/11/1375097011.db2.gz XMLWLQFEGFUIRH-PZJWPPBQSA-N 2 1 346.515 3.167 20 0 EGADMP C[NH+]1CCC[C@H](OC[C@@]2(C)C[N@H+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152635 1375097016 /nfs/dbraw/zinc/09/70/16/1375097016.db2.gz XMLWLQFEGFUIRH-PZJWPPBQSA-N 2 1 346.515 3.167 20 0 EGADMP C[NH+]1CCC[C@H](OC[C@@]2(C)C[N@@H+](Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152635 1375097020 /nfs/dbraw/zinc/09/70/20/1375097020.db2.gz XMLWLQFEGFUIRH-PZJWPPBQSA-N 2 1 346.515 3.167 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)CC[C@@H]2C)cs1 ZINC001132105345 1375150775 /nfs/dbraw/zinc/15/07/75/1375150775.db2.gz FPQOFGYYFQTRIJ-WMLDXEAASA-N 2 1 349.544 3.010 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CC1CC2(CCC2)C1 ZINC001132105904 1375151236 /nfs/dbraw/zinc/15/12/36/1375151236.db2.gz OGIKFQNWIBVCAY-FUHWJXTLSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCCC1CCC1 ZINC001132107477 1375151472 /nfs/dbraw/zinc/15/14/72/1375151472.db2.gz ZGLKVHPCQMKCRS-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CC1CCCCCC1 ZINC001132106127 1375151867 /nfs/dbraw/zinc/15/18/67/1375151867.db2.gz QHCSVEQIIAEOBC-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CC1CCCCCC1 ZINC001132106127 1375151868 /nfs/dbraw/zinc/15/18/68/1375151868.db2.gz QHCSVEQIIAEOBC-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CC1CCCCCC1 ZINC001132106127 1375151872 /nfs/dbraw/zinc/15/18/72/1375151872.db2.gz QHCSVEQIIAEOBC-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132128164 1375159698 /nfs/dbraw/zinc/15/96/98/1375159698.db2.gz JNCDQCPSOHFFSZ-MOPGFXCFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132140821 1375167429 /nfs/dbraw/zinc/16/74/29/1375167429.db2.gz LELLGYQIMQWKGC-SJORKVTESA-N 2 1 337.552 3.409 20 0 EGADMP CCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132140821 1375167432 /nfs/dbraw/zinc/16/74/32/1375167432.db2.gz LELLGYQIMQWKGC-SJORKVTESA-N 2 1 337.552 3.409 20 0 EGADMP CCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132140821 1375167435 /nfs/dbraw/zinc/16/74/35/1375167435.db2.gz LELLGYQIMQWKGC-SJORKVTESA-N 2 1 337.552 3.409 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CC(C)(C)C2)C1 ZINC001132153136 1375173462 /nfs/dbraw/zinc/17/34/62/1375173462.db2.gz NRIJMKALRWNPOF-DOTOQJQBSA-N 2 1 337.552 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CC(C)(C)C2)C1 ZINC001132153136 1375173467 /nfs/dbraw/zinc/17/34/67/1375173467.db2.gz NRIJMKALRWNPOF-DOTOQJQBSA-N 2 1 337.552 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CC(C)(C)C2)C1 ZINC001132153136 1375173470 /nfs/dbraw/zinc/17/34/70/1375173470.db2.gz NRIJMKALRWNPOF-DOTOQJQBSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132211052 1375211571 /nfs/dbraw/zinc/21/15/71/1375211571.db2.gz LMKKBKPCRCPKGX-QZTJIDSGSA-N 2 1 335.536 3.186 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001226170216 1375214416 /nfs/dbraw/zinc/21/44/16/1375214416.db2.gz DLMUHRDZNDXTIT-QRVBRYPASA-N 2 1 337.552 3.457 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC001226333418 1375241313 /nfs/dbraw/zinc/24/13/13/1375241313.db2.gz IUHOGASXOLOXSS-KBAYOESNSA-N 2 1 346.519 3.214 20 0 EGADMP CC(C)CC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132336099 1375316024 /nfs/dbraw/zinc/31/60/24/1375316024.db2.gz ZPDSWSZIKXZMBN-ZWKOTPCHSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)CC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132336099 1375316029 /nfs/dbraw/zinc/31/60/29/1375316029.db2.gz ZPDSWSZIKXZMBN-ZWKOTPCHSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335903 1375316296 /nfs/dbraw/zinc/31/62/96/1375316296.db2.gz WAJBIRKSWCLJNV-ZWKOTPCHSA-N 2 1 346.519 3.332 20 0 EGADMP CC(C)=CC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335903 1375316300 /nfs/dbraw/zinc/31/63/00/1375316300.db2.gz WAJBIRKSWCLJNV-ZWKOTPCHSA-N 2 1 346.519 3.332 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132354187 1375325287 /nfs/dbraw/zinc/32/52/87/1375325287.db2.gz JYYATFODYZNADW-FYVKXAJJSA-N 2 1 346.519 3.297 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132354187 1375325291 /nfs/dbraw/zinc/32/52/91/1375325291.db2.gz JYYATFODYZNADW-FYVKXAJJSA-N 2 1 346.519 3.297 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CCC2CC2)C1 ZINC001132365634 1375330906 /nfs/dbraw/zinc/33/09/06/1375330906.db2.gz NGXJNFCTBUFVSZ-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2CC2)C1 ZINC001132365634 1375330917 /nfs/dbraw/zinc/33/09/17/1375330917.db2.gz NGXJNFCTBUFVSZ-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC2CC2)C1 ZINC001132365634 1375330927 /nfs/dbraw/zinc/33/09/27/1375330927.db2.gz NGXJNFCTBUFVSZ-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2c(C)cccc2C)C1 ZINC001132376622 1375339473 /nfs/dbraw/zinc/33/94/73/1375339473.db2.gz PGBUCMCXBSMFJA-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC001226891864 1375354012 /nfs/dbraw/zinc/35/40/12/1375354012.db2.gz VQAJPEZUBAGYCN-GUDVDZBRSA-N 2 1 335.536 3.068 20 0 EGADMP Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132434008 1375378153 /nfs/dbraw/zinc/37/81/53/1375378153.db2.gz SOPAIXWDUPMWAD-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132436996 1375380707 /nfs/dbraw/zinc/38/07/07/1375380707.db2.gz ORXXMZXXNHSSFU-AWTIPJNISA-N 2 1 337.552 3.434 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132524495 1375440428 /nfs/dbraw/zinc/44/04/28/1375440428.db2.gz HYFXZRPIEWBFSV-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[N@H+]1CCC1CC1 ZINC001132549554 1375455680 /nfs/dbraw/zinc/45/56/80/1375455680.db2.gz UVBQXOGODWJPOF-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC001228111845 1375518870 /nfs/dbraw/zinc/51/88/70/1375518870.db2.gz AFUBKCFHDJXAKQ-UHFFFAOYSA-N 2 1 349.563 3.410 20 0 EGADMP CCC/C=C\CC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790524 1375566336 /nfs/dbraw/zinc/56/63/36/1375566336.db2.gz HLCLXIHGXPFTEV-PHWHVTFISA-N 2 1 335.536 3.236 20 0 EGADMP C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001132887210 1375625887 /nfs/dbraw/zinc/62/58/87/1375625887.db2.gz CUFVKUMMPGHBEN-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001132938606 1375657580 /nfs/dbraw/zinc/65/75/80/1375657580.db2.gz WJZUUCRZDFBRDI-IRXDYDNUSA-N 2 1 339.568 3.227 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C ZINC001229126427 1375770555 /nfs/dbraw/zinc/77/05/55/1375770555.db2.gz IUDLXAZMSWRXHP-QZTJIDSGSA-N 2 1 348.535 3.425 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C ZINC001229853872 1375904178 /nfs/dbraw/zinc/90/41/78/1375904178.db2.gz ZIIPGDLKXBKMRV-IAGOWNOFSA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CC(C)C ZINC001229868236 1375909112 /nfs/dbraw/zinc/90/91/12/1375909112.db2.gz DXZWBFDTFAQKJU-KZNAEPCWSA-N 2 1 325.541 3.027 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001230284503 1375984073 /nfs/dbraw/zinc/98/40/73/1375984073.db2.gz IJZBAVIPHBOWLU-RTBURBONSA-N 2 1 335.536 3.234 20 0 EGADMP C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230518966 1376051251 /nfs/dbraw/zinc/05/12/51/1376051251.db2.gz WHEYXBNLBQMPHO-ZFWWWQNUSA-N 2 1 337.427 3.145 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC([C@H]2CCC[N@H+]2CC2CCCC2)CC1 ZINC001230591938 1376089832 /nfs/dbraw/zinc/08/98/32/1376089832.db2.gz NFELXNHWCIHVMD-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001230617512 1376103397 /nfs/dbraw/zinc/10/33/97/1376103397.db2.gz BQWSBTNTGUBKRZ-PXDRNWIDSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230617512 1376103400 /nfs/dbraw/zinc/10/34/00/1376103400.db2.gz BQWSBTNTGUBKRZ-PXDRNWIDSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230617512 1376103411 /nfs/dbraw/zinc/10/34/11/1376103411.db2.gz BQWSBTNTGUBKRZ-PXDRNWIDSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001230621947 1376105350 /nfs/dbraw/zinc/10/53/50/1376105350.db2.gz JESONUOSAVVQRB-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001230621947 1376105352 /nfs/dbraw/zinc/10/53/52/1376105352.db2.gz JESONUOSAVVQRB-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232011588 1376381850 /nfs/dbraw/zinc/38/18/50/1376381850.db2.gz GRGKYEBEGMDWGQ-IBGZPJMESA-N 2 1 342.443 3.148 20 0 EGADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001232012530 1376382144 /nfs/dbraw/zinc/38/21/44/1376382144.db2.gz KEAJFSHSGQEJKM-GUYCJALGSA-N 2 1 342.443 3.004 20 0 EGADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001232012530 1376382151 /nfs/dbraw/zinc/38/21/51/1376382151.db2.gz KEAJFSHSGQEJKM-GUYCJALGSA-N 2 1 342.443 3.004 20 0 EGADMP C(=C/c1ccccc1)\C[NH+]1CCN(Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232011564 1376382448 /nfs/dbraw/zinc/38/24/48/1376382448.db2.gz MMOVQTIEKQXYHL-QPJJXVBHSA-N 2 1 332.451 3.394 20 0 EGADMP COc1ccc(OC(C)C)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001232389877 1376454495 /nfs/dbraw/zinc/45/44/95/1376454495.db2.gz FQBDRGRXZQBPEA-UHFFFAOYSA-N 2 1 332.488 3.400 20 0 EGADMP Cc1c[nH]c(=O)c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001233193979 1376583991 /nfs/dbraw/zinc/58/39/91/1376583991.db2.gz LILMDNMENXXFKI-ICSRJNTNSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1c[nH]c(=O)c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001233193979 1376583994 /nfs/dbraw/zinc/58/39/94/1376583994.db2.gz LILMDNMENXXFKI-ICSRJNTNSA-N 2 1 337.467 3.050 20 0 EGADMP Cc1cc(C)c(C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c(C)c1 ZINC001134759295 1376704311 /nfs/dbraw/zinc/70/43/11/1376704311.db2.gz LEDLQVNBIQOBNY-HXUWFJFHSA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC(C)(C)C ZINC001234215688 1376788778 /nfs/dbraw/zinc/78/87/78/1376788778.db2.gz OPEUMGBAIJJZRR-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC(C)(C)C ZINC001234215688 1376788781 /nfs/dbraw/zinc/78/87/81/1376788781.db2.gz OPEUMGBAIJJZRR-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCC(C)(C)C ZINC001234215688 1376788785 /nfs/dbraw/zinc/78/87/85/1376788785.db2.gz OPEUMGBAIJJZRR-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP Fc1cccc(COc2ccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)cc2)c1 ZINC001235023988 1376830219 /nfs/dbraw/zinc/83/02/19/1376830219.db2.gz IUBVKHXYYDRNEB-UHFFFAOYSA-N 2 1 326.415 3.200 20 0 EGADMP Fc1cccc(COc2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)cc2)c1 ZINC001235023988 1376830226 /nfs/dbraw/zinc/83/02/26/1376830226.db2.gz IUBVKHXYYDRNEB-UHFFFAOYSA-N 2 1 326.415 3.200 20 0 EGADMP Cn1c2ccccc2c2cc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)ccc21 ZINC001235035174 1376833040 /nfs/dbraw/zinc/83/30/40/1376833040.db2.gz CJHAFSSMLLWLON-VGOFRKELSA-N 2 1 349.478 3.142 20 0 EGADMP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020645 1376850840 /nfs/dbraw/zinc/85/08/40/1376850840.db2.gz IONGVCLTJOVYLY-SJORKVTESA-N 2 1 348.535 3.215 20 0 EGADMP CC(C)Oc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(OC(C)C)c1 ZINC001235191769 1376857032 /nfs/dbraw/zinc/85/70/32/1376857032.db2.gz YUJGTQDYZYMKLP-MSOLQXFVSA-N 2 1 332.488 3.302 20 0 EGADMP CC(C)Oc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(OC(C)C)c1 ZINC001235191769 1376857036 /nfs/dbraw/zinc/85/70/36/1376857036.db2.gz YUJGTQDYZYMKLP-MSOLQXFVSA-N 2 1 332.488 3.302 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CCCCC34CC[NH2+]CC4)ccc2[nH]1 ZINC001235192312 1376860450 /nfs/dbraw/zinc/86/04/50/1376860450.db2.gz ZZHJVZSNJLJGCB-UHFFFAOYSA-N 2 1 341.455 3.063 20 0 EGADMP FC1(F)Oc2cccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2O1 ZINC001235429764 1376869582 /nfs/dbraw/zinc/86/95/82/1376869582.db2.gz ZMDNCCJXXLECTE-KBPBESRZSA-N 2 1 338.398 3.220 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001235629780 1376879833 /nfs/dbraw/zinc/87/98/33/1376879833.db2.gz SBFZFJQAQXYMGK-FQEVSTJZSA-N 2 1 333.495 3.385 20 0 EGADMP C[N@H+](Cc1ccccc1Cl)Cc1ccccc1N1CC[NH2+]CC1 ZINC001235664914 1376883683 /nfs/dbraw/zinc/88/36/83/1376883683.db2.gz ZNYFMGCDRJLDAU-UHFFFAOYSA-N 2 1 329.875 3.382 20 0 EGADMP C[N@@H+](Cc1ccccc1Cl)Cc1ccccc1N1CC[NH2+]CC1 ZINC001235664914 1376883687 /nfs/dbraw/zinc/88/36/87/1376883687.db2.gz ZNYFMGCDRJLDAU-UHFFFAOYSA-N 2 1 329.875 3.382 20 0 EGADMP Fc1ccccc1[C@H]1CC[N@@H+](Cc2ccccc2N2CC[NH2+]CC2)C1 ZINC001235726860 1376886472 /nfs/dbraw/zinc/88/64/72/1376886472.db2.gz QNMJCEUZBWFKLR-KRWDZBQOSA-N 2 1 339.458 3.225 20 0 EGADMP [NH3+]Cc1cccc(C[N@@H+]2CCc3ccc(Br)cc3C2)c1 ZINC001235817979 1376899772 /nfs/dbraw/zinc/89/97/72/1376899772.db2.gz IKTCHOJDPYPZOO-UHFFFAOYSA-N 2 1 331.257 3.466 20 0 EGADMP [NH3+]Cc1cccc(C[N@H+]2CCc3ccc(Br)cc3C2)c1 ZINC001235817979 1376899776 /nfs/dbraw/zinc/89/97/76/1376899776.db2.gz IKTCHOJDPYPZOO-UHFFFAOYSA-N 2 1 331.257 3.466 20 0 EGADMP [NH3+]C1CN([C@H]2CCC[N@@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C2)C1 ZINC001236074521 1376930683 /nfs/dbraw/zinc/93/06/83/1376930683.db2.gz ZSXLYJNYRCNQRH-KRWDZBQOSA-N 2 1 345.874 3.207 20 0 EGADMP CCOC(=O)c1ccc(-c2ccc(C[N@@H+](C)CCCC[NH3+])o2)cc1 ZINC001236140968 1376935537 /nfs/dbraw/zinc/93/55/37/1376935537.db2.gz BTBPCTCSDRJXCJ-UHFFFAOYSA-N 2 1 330.428 3.294 20 0 EGADMP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@@]2(C1)CNCCO2 ZINC001237141107 1376976829 /nfs/dbraw/zinc/97/68/29/1376976829.db2.gz DDDPUGLMWVXTIC-NRFANRHFSA-N 2 1 340.467 3.191 20 0 EGADMP CC(C)Oc1ccc2ccccc2c1CN1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001237141107 1376976835 /nfs/dbraw/zinc/97/68/35/1376976835.db2.gz DDDPUGLMWVXTIC-NRFANRHFSA-N 2 1 340.467 3.191 20 0 EGADMP Cc1ccc(SC[C@@H](C)[NH2+][C@@H]2CCCC[C@@]23C[NH2+]CCO3)cc1 ZINC001246159184 1377050312 /nfs/dbraw/zinc/05/03/12/1377050312.db2.gz JCLSIVUDPSMGFI-BHIYHBOVSA-N 2 1 334.529 3.366 20 0 EGADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246157447 1377050364 /nfs/dbraw/zinc/05/03/64/1377050364.db2.gz BDPCPBDTAUTOSN-JEBQAFNWSA-N 2 1 340.870 3.301 20 0 EGADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246545613 1377052477 /nfs/dbraw/zinc/05/24/77/1377052477.db2.gz WHTCKNZBRCMCJP-PXAZEXFGSA-N 2 1 346.849 3.115 20 0 EGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC001246546504 1377052552 /nfs/dbraw/zinc/05/25/52/1377052552.db2.gz GODQDLWYRZIWMM-MISYRCLQSA-N 3 1 333.495 3.192 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@](F)(C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001246546504 1377052556 /nfs/dbraw/zinc/05/25/56/1377052556.db2.gz GODQDLWYRZIWMM-MISYRCLQSA-N 3 1 333.495 3.192 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2CCC[C@](F)(C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001246546504 1377052558 /nfs/dbraw/zinc/05/25/58/1377052558.db2.gz GODQDLWYRZIWMM-MISYRCLQSA-N 3 1 333.495 3.192 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@](F)(C[NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246546504 1377052562 /nfs/dbraw/zinc/05/25/62/1377052562.db2.gz GODQDLWYRZIWMM-MISYRCLQSA-N 3 1 333.495 3.192 20 0 EGADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246546504 1377052566 /nfs/dbraw/zinc/05/25/66/1377052566.db2.gz GODQDLWYRZIWMM-MISYRCLQSA-N 3 1 333.495 3.192 20 0 EGADMP Cc1nc([C@H]2C[C@@H]3CC[N@@H+]([C@@H]4CC[NH2+][C@H](C)C4)C[C@H]3O2)sc1C ZINC001246714696 1377053319 /nfs/dbraw/zinc/05/33/19/1377053319.db2.gz MEQWVBVUTCZPRF-XFPGOJQTSA-N 2 1 335.517 3.052 20 0 EGADMP Cc1nc([C@H]2C[C@@H]3CC[N@H+]([C@@H]4CC[NH2+][C@H](C)C4)C[C@H]3O2)sc1C ZINC001246714696 1377053322 /nfs/dbraw/zinc/05/33/22/1377053322.db2.gz MEQWVBVUTCZPRF-XFPGOJQTSA-N 2 1 335.517 3.052 20 0 EGADMP c1ccc([C@H]2CO[C@@]3(C2)CCC[N@H+](C2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)cc1 ZINC001246714774 1377053511 /nfs/dbraw/zinc/05/35/11/1377053511.db2.gz NFTGDGNJOFWJSP-XAAMQAMVSA-N 2 1 326.484 3.308 20 0 EGADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)CC[NH2+]1 ZINC001246728028 1377053645 /nfs/dbraw/zinc/05/36/45/1377053645.db2.gz JNUWRLHUFFZZPV-VNTMZGSJSA-N 2 1 341.499 3.033 20 0 EGADMP O=C(c1ccc(F)cc1F)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246821149 1377055167 /nfs/dbraw/zinc/05/51/67/1377055167.db2.gz HLGRGWKULXNXKL-XYPWUTKMSA-N 2 1 334.410 3.143 20 0 EGADMP O[C@]1(C[N@H+]2CCCC3(CC(F)C3)CC2)CCN(Cc2ccccc2)C1 ZINC001252932891 1377093348 /nfs/dbraw/zinc/09/33/48/1377093348.db2.gz ZFFGQZNAALHORD-CBNMVNINSA-N 2 1 346.490 3.228 20 0 EGADMP O[C@]1(C[N@@H+]2CCCC3(CC(F)C3)CC2)CC[NH+](Cc2ccccc2)C1 ZINC001252932891 1377093352 /nfs/dbraw/zinc/09/33/52/1377093352.db2.gz ZFFGQZNAALHORD-CBNMVNINSA-N 2 1 346.490 3.228 20 0 EGADMP O[C@]1(C[N@H+]2CCCC3(CC(F)C3)CC2)CC[NH+](Cc2ccccc2)C1 ZINC001252932891 1377093355 /nfs/dbraw/zinc/09/33/55/1377093355.db2.gz ZFFGQZNAALHORD-CBNMVNINSA-N 2 1 346.490 3.228 20 0 EGADMP O[C@]1(C[NH+]2CCCC3(CC(F)C3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252932891 1377093356 /nfs/dbraw/zinc/09/33/56/1377093356.db2.gz ZFFGQZNAALHORD-CBNMVNINSA-N 2 1 346.490 3.228 20 0 EGADMP O[C@]1(C[NH+]2CCCC3(CC(F)C3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252932891 1377093359 /nfs/dbraw/zinc/09/33/59/1377093359.db2.gz ZFFGQZNAALHORD-CBNMVNINSA-N 2 1 346.490 3.228 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001252934526 1377093433 /nfs/dbraw/zinc/09/34/33/1377093433.db2.gz UWTINYFKBOKPLM-JOCHJYFZSA-N 2 1 338.495 3.454 20 0 EGADMP CC[N@H+](Cc1ccc(C)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252934526 1377093437 /nfs/dbraw/zinc/09/34/37/1377093437.db2.gz UWTINYFKBOKPLM-JOCHJYFZSA-N 2 1 338.495 3.454 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252934526 1377093439 /nfs/dbraw/zinc/09/34/39/1377093439.db2.gz UWTINYFKBOKPLM-JOCHJYFZSA-N 2 1 338.495 3.454 20 0 EGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1cccc(-c2ccc(F)cc2)c1 ZINC001253410673 1377097405 /nfs/dbraw/zinc/09/74/05/1377097405.db2.gz PPCFOLNEROEFAY-IBGZPJMESA-N 2 1 330.447 3.331 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1ccccc1C ZINC001135437791 1377097492 /nfs/dbraw/zinc/09/74/92/1377097492.db2.gz XOHWHXYFIYMZSM-GOSISDBHSA-N 2 1 333.520 3.274 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCCC3=O)cc2)CC1 ZINC001254510017 1377105012 /nfs/dbraw/zinc/10/50/12/1377105012.db2.gz LHPWZYPDUXMUDC-GOSISDBHSA-N 2 1 329.488 3.168 20 0 EGADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cncn2Cc2cccc(Cl)c2)CC1 ZINC001254510023 1377105595 /nfs/dbraw/zinc/10/55/95/1377105595.db2.gz LKTDGMKTOCVICD-KRWDZBQOSA-N 2 1 332.879 3.159 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cncn2Cc2cccc(Cl)c2)CC1 ZINC001254510023 1377105598 /nfs/dbraw/zinc/10/55/98/1377105598.db2.gz LKTDGMKTOCVICD-KRWDZBQOSA-N 2 1 332.879 3.159 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477151 1377111113 /nfs/dbraw/zinc/11/11/13/1377111113.db2.gz RMCRPIYLWYLAIU-DLBZAZTESA-N 2 1 337.552 3.172 20 0 EGADMP CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135477482 1377111637 /nfs/dbraw/zinc/11/16/37/1377111637.db2.gz VNGFZBHRSHFUCN-ZUQFGZKASA-N 2 1 325.541 3.194 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CCCC1CCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135480355 1377112245 /nfs/dbraw/zinc/11/22/45/1377112245.db2.gz BDNDHJRVKVJSBX-IAGOWNOFSA-N 2 1 339.568 3.418 20 0 EGADMP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481228 1377113977 /nfs/dbraw/zinc/11/39/77/1377113977.db2.gz ROTFXWSJYQKVEJ-RBUKOAKNSA-N 2 1 347.547 3.224 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC1CCC1 ZINC001135583832 1377155124 /nfs/dbraw/zinc/15/51/24/1377155124.db2.gz FZOUPNKOJXCPCD-DLBZAZTESA-N 2 1 348.535 3.460 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1)[NH+](C)C ZINC001266110734 1377189741 /nfs/dbraw/zinc/18/97/41/1377189741.db2.gz NYTRCPDPCRFWDN-SJORKVTESA-N 2 1 325.541 3.076 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001135718934 1377193577 /nfs/dbraw/zinc/19/35/77/1377193577.db2.gz VXPRBLFEYSIYKK-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP CC1CC(C[N@@H+](C)[C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001266119621 1377196086 /nfs/dbraw/zinc/19/60/86/1377196086.db2.gz IQFFOIWMKQJORD-SOAGJPPSSA-N 2 1 349.563 3.221 20 0 EGADMP CCCc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC)cc1 ZINC001135860933 1377238229 /nfs/dbraw/zinc/23/82/29/1377238229.db2.gz JSVKNILUCOJQDG-ZWKOTPCHSA-N 2 1 347.547 3.354 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCc1ccccc1 ZINC001135861858 1377238644 /nfs/dbraw/zinc/23/86/44/1377238644.db2.gz YIUVIMHLCQJOAX-MOPGFXCFSA-N 2 1 347.547 3.224 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001327297735 1388488021 /nfs/dbraw/zinc/48/80/21/1388488021.db2.gz BHSZAYMBIQNJKJ-WOJBJXKFSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001135977173 1377284550 /nfs/dbraw/zinc/28/45/50/1377284550.db2.gz QIRYJQJTCYXVJW-OALUTQOASA-N 2 1 347.547 3.327 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001135979969 1377285800 /nfs/dbraw/zinc/28/58/00/1377285800.db2.gz KRDUXSRZNFPQHN-OALUTQOASA-N 2 1 347.547 3.142 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2)C1CCCCC1 ZINC001266373480 1377298570 /nfs/dbraw/zinc/29/85/70/1377298570.db2.gz DVSSPFCXRLYLDR-LJQANCHMSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CC1CCC(C)(C)CC1 ZINC001266492747 1377321286 /nfs/dbraw/zinc/32/12/86/1377321286.db2.gz WBNBXSXIDHMKNU-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001266492747 1377321288 /nfs/dbraw/zinc/32/12/88/1377321288.db2.gz WBNBXSXIDHMKNU-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1CC1CCC(C)(C)CC1 ZINC001266492747 1377321289 /nfs/dbraw/zinc/32/12/89/1377321289.db2.gz WBNBXSXIDHMKNU-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001327309417 1388494172 /nfs/dbraw/zinc/49/41/72/1388494172.db2.gz VKPFXGAFLCIODE-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001266972091 1377406012 /nfs/dbraw/zinc/40/60/12/1377406012.db2.gz UISJXDCBOSZRCQ-IAGOWNOFSA-N 2 1 333.520 3.128 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001266972093 1377406137 /nfs/dbraw/zinc/40/61/37/1377406137.db2.gz UISJXDCBOSZRCQ-SJORKVTESA-N 2 1 333.520 3.128 20 0 EGADMP C[NH+]1CC2(C1)CC[NH+](Cc1c(F)cccc1Br)CC2 ZINC001137467832 1377552944 /nfs/dbraw/zinc/55/29/44/1377552944.db2.gz RIBFYDDHXIXIOS-UHFFFAOYSA-N 2 1 327.241 3.116 20 0 EGADMP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(F)cc1Br)CC2 ZINC001137549920 1377565054 /nfs/dbraw/zinc/56/50/54/1377565054.db2.gz GGUDHXOOSBOIED-UHFFFAOYSA-N 2 1 327.241 3.116 20 0 EGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)C[N@@H+](C)CCc2ccccc2)c1 ZINC001137563251 1377565967 /nfs/dbraw/zinc/56/59/67/1377565967.db2.gz ZFEGUAHHJNMRJE-UHFFFAOYSA-N 2 1 339.483 3.170 20 0 EGADMP CCCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001753319712 1440362541 /nfs/dbraw/zinc/36/25/41/1440362541.db2.gz LDMYSZAAAGLMBX-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CCCN(C(=O)CC[N@H+](C)CC)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001753319712 1440362542 /nfs/dbraw/zinc/36/25/42/1440362542.db2.gz LDMYSZAAAGLMBX-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CCCN(C(=O)CC[N@@H+](C)CC)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001753319712 1440362543 /nfs/dbraw/zinc/36/25/43/1440362543.db2.gz LDMYSZAAAGLMBX-KRWDZBQOSA-N 2 1 325.541 3.077 20 0 EGADMP CC(=O)Oc1cccc(C[N@@H+](C2CCCC2)C2CCN(C)CC2)c1 ZINC001138046701 1377670991 /nfs/dbraw/zinc/67/09/91/1377670991.db2.gz WNQBRSCOPINJGY-UHFFFAOYSA-N 2 1 330.472 3.451 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC001138549272 1377740841 /nfs/dbraw/zinc/74/08/41/1377740841.db2.gz UJCTVYYVVKRIOQ-HXUWFJFHSA-N 2 1 334.423 3.229 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC001138549272 1377740844 /nfs/dbraw/zinc/74/08/44/1377740844.db2.gz UJCTVYYVVKRIOQ-HXUWFJFHSA-N 2 1 334.423 3.229 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(Oc3ccncn3)CC2)cc1 ZINC001138551515 1377741018 /nfs/dbraw/zinc/74/10/18/1377741018.db2.gz JRQDXJPZFGHJLV-UHFFFAOYSA-N 2 1 349.438 3.014 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cncn2Cc2ccccc2)CC1 ZINC001138565087 1377743080 /nfs/dbraw/zinc/74/30/80/1377743080.db2.gz HMCHWYXWGKKLQY-UHFFFAOYSA-N 2 1 340.515 3.484 20 0 EGADMP COc1ccc(C[N@@H+]2CCc3nccn3CC2)c2c(OC)cccc12 ZINC001138752917 1377780414 /nfs/dbraw/zinc/78/04/14/1377780414.db2.gz YVGQSUULIIQACU-UHFFFAOYSA-N 2 1 337.423 3.112 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)cc1 ZINC001138770299 1377782301 /nfs/dbraw/zinc/78/23/01/1377782301.db2.gz YODNWBVNVNBAQV-INIZCTEOSA-N 2 1 330.394 3.196 20 0 EGADMP CCC[N@@H+](CCc1ccccn1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138773136 1377782410 /nfs/dbraw/zinc/78/24/10/1377782410.db2.gz RPQMXKNBQDIKTC-UHFFFAOYSA-N 2 1 341.499 3.477 20 0 EGADMP CCCCOc1cccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001138953529 1377807996 /nfs/dbraw/zinc/80/79/96/1377807996.db2.gz AHDSBOGBFDYVRC-LEWJYISDSA-N 2 1 345.531 3.076 20 0 EGADMP C[NH+](C)CC1CC[NH+](Cc2sc(N3CCCC3)nc2Cl)CC1 ZINC001140364018 1378052908 /nfs/dbraw/zinc/05/29/08/1378052908.db2.gz CBYQJNJIHVURPA-UHFFFAOYSA-N 2 1 342.940 3.170 20 0 EGADMP COc1cc(F)cc(CN2CCCN(c3cccc(C)n3)CC2)c1 ZINC001140484519 1378070793 /nfs/dbraw/zinc/07/07/93/1378070793.db2.gz RUIZUVYXRLIQJP-UHFFFAOYSA-N 2 1 329.419 3.250 20 0 EGADMP Cn1cnc2ccc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)cc21 ZINC001140738824 1378127928 /nfs/dbraw/zinc/12/79/28/1378127928.db2.gz QSKHXPUCJNPRJG-ROUUACIJSA-N 2 1 326.488 3.412 20 0 EGADMP Cn1cnc2ccc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@H+]3C)cc21 ZINC001140738824 1378127929 /nfs/dbraw/zinc/12/79/29/1378127929.db2.gz QSKHXPUCJNPRJG-ROUUACIJSA-N 2 1 326.488 3.412 20 0 EGADMP Cc1cc(Br)c(F)cc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001140795449 1378138820 /nfs/dbraw/zinc/13/88/20/1378138820.db2.gz APQUWAKQHJOQMM-UHFFFAOYSA-N 2 1 341.268 3.424 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@]12CC[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140802108 1378142504 /nfs/dbraw/zinc/14/25/04/1378142504.db2.gz NPFDANSHJDQZJI-IBGZPJMESA-N 2 1 342.443 3.148 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140802108 1378142508 /nfs/dbraw/zinc/14/25/08/1378142508.db2.gz NPFDANSHJDQZJI-IBGZPJMESA-N 2 1 342.443 3.148 20 0 EGADMP COc1cccc(O[C@H]2CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)n1 ZINC001140806047 1378144226 /nfs/dbraw/zinc/14/42/26/1378144226.db2.gz ABKRZFPVDDLOSU-HNNXBMFYSA-N 2 1 338.411 3.010 20 0 EGADMP COc1cccc(O[C@H]2CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)n1 ZINC001140806047 1378144229 /nfs/dbraw/zinc/14/42/29/1378144229.db2.gz ABKRZFPVDDLOSU-HNNXBMFYSA-N 2 1 338.411 3.010 20 0 EGADMP CC1(C)[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC[C@@]12c1ccccc1OC2=O ZINC001140806117 1378147092 /nfs/dbraw/zinc/14/70/92/1378147092.db2.gz VVVJOWXFEATKOB-NRFANRHFSA-N 2 1 347.418 3.404 20 0 EGADMP CC1(C)[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CC[C@@]12c1ccccc1OC2=O ZINC001140806117 1378147096 /nfs/dbraw/zinc/14/70/96/1378147096.db2.gz VVVJOWXFEATKOB-NRFANRHFSA-N 2 1 347.418 3.404 20 0 EGADMP Cc1cccc(Cl)c1C[NH+]1C[C@@H]2CC[N@@H+](CCN(C)C)CC[C@@H]2C1 ZINC001275634566 1378148800 /nfs/dbraw/zinc/14/88/00/1378148800.db2.gz RBMYTJKCJXANHK-HDICACEKSA-N 2 1 349.950 3.354 20 0 EGADMP Cc1cccc(Cl)c1C[N@@H+]1C[C@@H]2CC[NH+](CCN(C)C)CC[C@@H]2C1 ZINC001275634566 1378148802 /nfs/dbraw/zinc/14/88/02/1378148802.db2.gz RBMYTJKCJXANHK-HDICACEKSA-N 2 1 349.950 3.354 20 0 EGADMP Cc1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[NH+](CCN(C)C)CC[C@@H]2C1 ZINC001275634566 1378148804 /nfs/dbraw/zinc/14/88/04/1378148804.db2.gz RBMYTJKCJXANHK-HDICACEKSA-N 2 1 349.950 3.354 20 0 EGADMP Cc1cccc(Cl)c1C[N@@H+]1C[C@@H]2CCN(CC[NH+](C)C)CC[C@@H]2C1 ZINC001275634566 1378148806 /nfs/dbraw/zinc/14/88/06/1378148806.db2.gz RBMYTJKCJXANHK-HDICACEKSA-N 2 1 349.950 3.354 20 0 EGADMP Cc1cccc(Cl)c1C[N@H+]1C[C@@H]2CCN(CC[NH+](C)C)CC[C@@H]2C1 ZINC001275634566 1378148808 /nfs/dbraw/zinc/14/88/08/1378148808.db2.gz RBMYTJKCJXANHK-HDICACEKSA-N 2 1 349.950 3.354 20 0 EGADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(Oc3ncccn3)cc1)C2 ZINC001275721506 1378152395 /nfs/dbraw/zinc/15/23/95/1378152395.db2.gz IJBNCISQKPXRPQ-FQEVSTJZSA-N 2 1 338.455 3.187 20 0 EGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(Oc3ncccn3)cc1)C2 ZINC001275721506 1378152398 /nfs/dbraw/zinc/15/23/98/1378152398.db2.gz IJBNCISQKPXRPQ-FQEVSTJZSA-N 2 1 338.455 3.187 20 0 EGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(Oc3ncccn3)cc1)C2 ZINC001275721506 1378152401 /nfs/dbraw/zinc/15/24/01/1378152401.db2.gz IJBNCISQKPXRPQ-FQEVSTJZSA-N 2 1 338.455 3.187 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(Oc3ncccn3)cc1)C2 ZINC001275721506 1378152404 /nfs/dbraw/zinc/15/24/04/1378152404.db2.gz IJBNCISQKPXRPQ-FQEVSTJZSA-N 2 1 338.455 3.187 20 0 EGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(Oc3ncccn3)cc1)C2 ZINC001275721506 1378152408 /nfs/dbraw/zinc/15/24/08/1378152408.db2.gz IJBNCISQKPXRPQ-FQEVSTJZSA-N 2 1 338.455 3.187 20 0 EGADMP Nc1cccc(F)c1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001140873258 1378164967 /nfs/dbraw/zinc/16/49/67/1378164967.db2.gz CUSVKDCURVWOIV-UHFFFAOYSA-N 2 1 343.446 3.489 20 0 EGADMP CCSc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001277463904 1378224348 /nfs/dbraw/zinc/22/43/48/1378224348.db2.gz QQKJTEXPOZCBPF-HDICACEKSA-N 2 1 333.545 3.009 20 0 EGADMP Cc1cc(N2CC[NH+](Cc3cc(-c4ccccc4)nn3C)CC2)cc[nH+]1 ZINC001143016409 1378526029 /nfs/dbraw/zinc/52/60/29/1378526029.db2.gz BHHNWDMAXOPPFD-UHFFFAOYSA-N 2 1 347.466 3.113 20 0 EGADMP CCC(CC)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001282677748 1378547881 /nfs/dbraw/zinc/54/78/81/1378547881.db2.gz GPJRDIHSMVDIED-ROUUACIJSA-N 2 1 325.541 3.124 20 0 EGADMP Oc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)nc1 ZINC001144269256 1378708076 /nfs/dbraw/zinc/70/80/76/1378708076.db2.gz IHJIVZAMMVVSAV-OALUTQOASA-N 2 1 337.467 3.131 20 0 EGADMP Oc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)nc1 ZINC001144269256 1378708077 /nfs/dbraw/zinc/70/80/77/1378708077.db2.gz IHJIVZAMMVVSAV-OALUTQOASA-N 2 1 337.467 3.131 20 0 EGADMP Oc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)nc1 ZINC001144269256 1378708078 /nfs/dbraw/zinc/70/80/78/1378708078.db2.gz IHJIVZAMMVVSAV-OALUTQOASA-N 2 1 337.467 3.131 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001144717694 1378763334 /nfs/dbraw/zinc/76/33/34/1378763334.db2.gz DYBUXGXIPYYPGO-UHFFFAOYSA-N 2 1 333.520 3.121 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001144717694 1378763337 /nfs/dbraw/zinc/76/33/37/1378763337.db2.gz DYBUXGXIPYYPGO-UHFFFAOYSA-N 2 1 333.520 3.121 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001144717694 1378763339 /nfs/dbraw/zinc/76/33/39/1378763339.db2.gz DYBUXGXIPYYPGO-UHFFFAOYSA-N 2 1 333.520 3.121 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001146332990 1378819039 /nfs/dbraw/zinc/81/90/39/1378819039.db2.gz LLLPPCFVBMGCAD-HOTGVXAUSA-N 2 1 346.519 3.035 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001146593210 1378873033 /nfs/dbraw/zinc/87/30/33/1378873033.db2.gz OMUPKKYFQRKQPI-GJZGRUSLSA-N 2 1 339.911 3.053 20 0 EGADMP CC(C)CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706354 1378903096 /nfs/dbraw/zinc/90/30/96/1378903096.db2.gz DCYQSAYZHJJKJB-RTBURBONSA-N 2 1 347.547 3.428 20 0 EGADMP CC(C)CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706354 1378903102 /nfs/dbraw/zinc/90/31/02/1378903102.db2.gz DCYQSAYZHJJKJB-RTBURBONSA-N 2 1 347.547 3.428 20 0 EGADMP CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707588 1378904144 /nfs/dbraw/zinc/90/41/44/1378904144.db2.gz UJHHTQZABCBFBM-MGBKSAOESA-N 2 1 345.531 3.348 20 0 EGADMP CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707588 1378904150 /nfs/dbraw/zinc/90/41/50/1378904150.db2.gz UJHHTQZABCBFBM-MGBKSAOESA-N 2 1 345.531 3.348 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(CC)cc1 ZINC001147359114 1379008705 /nfs/dbraw/zinc/00/87/05/1379008705.db2.gz LIGVEDONDGQARJ-HXUWFJFHSA-N 2 1 345.531 3.109 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001147359951 1379008930 /nfs/dbraw/zinc/00/89/30/1379008930.db2.gz XSFKILVOOWDPKO-QFBILLFUSA-N 2 1 349.494 3.247 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001147658378 1379056504 /nfs/dbraw/zinc/05/65/04/1379056504.db2.gz RTHGNLXCVZRLSW-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2 ZINC001147658378 1379056508 /nfs/dbraw/zinc/05/65/08/1379056508.db2.gz RTHGNLXCVZRLSW-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCC(C)(C)C)C2 ZINC001147658378 1379056511 /nfs/dbraw/zinc/05/65/11/1379056511.db2.gz RTHGNLXCVZRLSW-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CC(C)C)C2 ZINC001147658675 1379056634 /nfs/dbraw/zinc/05/66/34/1379056634.db2.gz WYBALOBCZJEGLU-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)CC(C)C)C2 ZINC001147658675 1379056637 /nfs/dbraw/zinc/05/66/37/1379056637.db2.gz WYBALOBCZJEGLU-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)CC(C)C)C2 ZINC001147658675 1379056639 /nfs/dbraw/zinc/05/66/39/1379056639.db2.gz WYBALOBCZJEGLU-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)C2 ZINC001147742907 1379070243 /nfs/dbraw/zinc/07/02/43/1379070243.db2.gz UCSWENZQJONLMJ-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2 ZINC001147742907 1379070247 /nfs/dbraw/zinc/07/02/47/1379070247.db2.gz UCSWENZQJONLMJ-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC2(C1)CC[N@@H+](CCCC(C)(C)C)C2 ZINC001147742907 1379070252 /nfs/dbraw/zinc/07/02/52/1379070252.db2.gz UCSWENZQJONLMJ-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC001283676854 1379104574 /nfs/dbraw/zinc/10/45/74/1379104574.db2.gz FUOVFCQGXIFORX-IRXDYDNUSA-N 2 1 342.487 3.204 20 0 EGADMP C[C@H]1CCC[C@H](CC[N@H+]2CCC3(CN(C(=O)CCC[NH+](C)C)C3)C2)C1 ZINC001148174840 1379128904 /nfs/dbraw/zinc/12/89/04/1379128904.db2.gz YCQOMNAYBYBWFA-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284963 1379146341 /nfs/dbraw/zinc/14/63/41/1379146341.db2.gz LBHCSPGZUDMNBB-VYENPZKTSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](C[C@H](C)CC)C2 ZINC001148458131 1379175901 /nfs/dbraw/zinc/17/59/01/1379175901.db2.gz KJKIWADXQFRJBE-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](C[C@H](C)CC)C2 ZINC001148458131 1379175903 /nfs/dbraw/zinc/17/59/03/1379175903.db2.gz KJKIWADXQFRJBE-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](C[C@H](C)CC)C2 ZINC001148458131 1379175905 /nfs/dbraw/zinc/17/59/05/1379175905.db2.gz KJKIWADXQFRJBE-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477120 1379181699 /nfs/dbraw/zinc/18/16/99/1379181699.db2.gz JJVWOSHANYEIBA-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001148605726 1379224124 /nfs/dbraw/zinc/22/41/24/1379224124.db2.gz SRQXVHXBMHFKBH-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC2(C1)CC[N@@H+](CCC1=CCCCC1)C2 ZINC001148625817 1379229071 /nfs/dbraw/zinc/22/90/71/1379229071.db2.gz LBSFTQFBHISWAJ-UHFFFAOYSA-N 2 1 347.547 3.143 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001148643196 1379233201 /nfs/dbraw/zinc/23/32/01/1379233201.db2.gz UPQQXVAPDLQGNF-MRXNPFEDSA-N 2 1 333.520 3.093 20 0 EGADMP CC/C=C\CC[N@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148900296 1379294512 /nfs/dbraw/zinc/29/45/12/1379294512.db2.gz YSTGCCFETWMOBM-ARJAWSKDSA-N 2 1 347.547 3.143 20 0 EGADMP c1nn(Cc2ccccc2)c2c1[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC001327838074 1388603248 /nfs/dbraw/zinc/60/32/48/1388603248.db2.gz DLPIPVMBJZHRGH-WMWLNJEOSA-N 2 1 336.483 3.181 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313906 1380053100 /nfs/dbraw/zinc/05/31/00/1380053100.db2.gz ZAQYBKVKSUDKMM-UYAOXDASSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153313906 1380053105 /nfs/dbraw/zinc/05/31/05/1380053105.db2.gz ZAQYBKVKSUDKMM-UYAOXDASSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153313906 1380053110 /nfs/dbraw/zinc/05/31/10/1380053110.db2.gz ZAQYBKVKSUDKMM-UYAOXDASSA-N 2 1 345.531 3.194 20 0 EGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153388232 1380068518 /nfs/dbraw/zinc/06/85/18/1380068518.db2.gz XBNITWBPJSQZFW-YLJYHZDGSA-N 2 1 347.547 3.045 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC1CCC1 ZINC001153432011 1380076018 /nfs/dbraw/zinc/07/60/18/1380076018.db2.gz DUSTZLKHCIHCKZ-HZPDHXFCSA-N 2 1 334.508 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC1 ZINC001153432011 1380076025 /nfs/dbraw/zinc/07/60/25/1380076025.db2.gz DUSTZLKHCIHCKZ-HZPDHXFCSA-N 2 1 334.508 3.023 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C)cc1 ZINC001153728729 1380119453 /nfs/dbraw/zinc/11/94/53/1380119453.db2.gz UWUQRONIVUDVLZ-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C)cc1 ZINC001153728729 1380119454 /nfs/dbraw/zinc/11/94/54/1380119454.db2.gz UWUQRONIVUDVLZ-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C)cc1 ZINC001153728729 1380119455 /nfs/dbraw/zinc/11/94/55/1380119455.db2.gz UWUQRONIVUDVLZ-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001153802306 1380132350 /nfs/dbraw/zinc/13/23/50/1380132350.db2.gz IUBBTHLBWBQHGU-HKVOBHHDSA-N 2 1 337.552 3.147 20 0 EGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001153802306 1380132351 /nfs/dbraw/zinc/13/23/51/1380132351.db2.gz IUBBTHLBWBQHGU-HKVOBHHDSA-N 2 1 337.552 3.147 20 0 EGADMP CC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001153802306 1380132353 /nfs/dbraw/zinc/13/23/53/1380132353.db2.gz IUBBTHLBWBQHGU-HKVOBHHDSA-N 2 1 337.552 3.147 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001154083427 1380201415 /nfs/dbraw/zinc/20/14/15/1380201415.db2.gz VUAJYUOGQZEDPH-QGZVFWFLSA-N 2 1 348.535 3.171 20 0 EGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001154099882 1380207918 /nfs/dbraw/zinc/20/79/18/1380207918.db2.gz SSNMWECBAMKVJW-MRXNPFEDSA-N 2 1 325.541 3.266 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099882 1380207909 /nfs/dbraw/zinc/20/79/09/1380207909.db2.gz SSNMWECBAMKVJW-MRXNPFEDSA-N 2 1 325.541 3.266 20 0 EGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001154099882 1380207914 /nfs/dbraw/zinc/20/79/14/1380207914.db2.gz SSNMWECBAMKVJW-MRXNPFEDSA-N 2 1 325.541 3.266 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154122501 1380212601 /nfs/dbraw/zinc/21/26/01/1380212601.db2.gz DGFVKOSGIBBLHE-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001154122501 1380212604 /nfs/dbraw/zinc/21/26/04/1380212604.db2.gz DGFVKOSGIBBLHE-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001154122501 1380212607 /nfs/dbraw/zinc/21/26/07/1380212607.db2.gz DGFVKOSGIBBLHE-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167656 1380220067 /nfs/dbraw/zinc/22/00/67/1380220067.db2.gz NVTPKLRQNIBTLQ-GOSISDBHSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844451 1380363838 /nfs/dbraw/zinc/36/38/38/1380363838.db2.gz HZCKPNOIYMACPV-KSZLIROESA-N 2 1 339.568 3.370 20 0 EGADMP CC[NH+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001154844451 1380363840 /nfs/dbraw/zinc/36/38/40/1380363840.db2.gz HZCKPNOIYMACPV-KSZLIROESA-N 2 1 339.568 3.370 20 0 EGADMP CC[NH+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001154844451 1380363845 /nfs/dbraw/zinc/36/38/45/1380363845.db2.gz HZCKPNOIYMACPV-KSZLIROESA-N 2 1 339.568 3.370 20 0 EGADMP F[C@@]1(CNc2[nH+]cnc3c2ccn3C2CCCC2)CCCC[NH2+]C1 ZINC001155117765 1380411719 /nfs/dbraw/zinc/41/17/19/1380411719.db2.gz SOQUFSXPWUZOMT-SFHVURJKSA-N 2 1 331.439 3.440 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCCCF)[NH+](CC)CC ZINC001155180472 1380420293 /nfs/dbraw/zinc/42/02/93/1380420293.db2.gz AHNBKJWFTLQYHC-SJORKVTESA-N 2 1 331.520 3.073 20 0 EGADMP CC[C@@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001155255241 1380429356 /nfs/dbraw/zinc/42/93/56/1380429356.db2.gz OMPSOKKERKDXSO-RTBURBONSA-N 2 1 347.547 3.034 20 0 EGADMP CC[C@@H](C)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001155255241 1380429358 /nfs/dbraw/zinc/42/93/58/1380429358.db2.gz OMPSOKKERKDXSO-RTBURBONSA-N 2 1 347.547 3.034 20 0 EGADMP CC[C@@H](C)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001155255241 1380429359 /nfs/dbraw/zinc/42/93/59/1380429359.db2.gz OMPSOKKERKDXSO-RTBURBONSA-N 2 1 347.547 3.034 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC/C=C\c1ccccc1)[NH+](C)C ZINC001155289144 1380433645 /nfs/dbraw/zinc/43/36/45/1380433645.db2.gz LPPGJVVTKQCDEE-DGZYFTDXSA-N 2 1 345.531 3.257 20 0 EGADMP Cc1ccc2c(c1)cc(Cl)nc2N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155375190 1380443286 /nfs/dbraw/zinc/44/32/86/1380443286.db2.gz CEKUOMQEENZYDM-INIZCTEOSA-N 2 1 344.890 3.056 20 0 EGADMP COc1cc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)[nH+]c2ccccc21 ZINC001155384281 1380444132 /nfs/dbraw/zinc/44/41/32/1380444132.db2.gz OZRDVXODOORLCT-OAHLLOKOSA-N 2 1 341.455 3.204 20 0 EGADMP CC[N@@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)C[C@H](C)n1ccnc1 ZINC001155520718 1380463599 /nfs/dbraw/zinc/46/35/99/1380463599.db2.gz AKCIWDZRSNOZJU-DLBZAZTESA-N 2 1 346.519 3.241 20 0 EGADMP COc1ccc2[nH+]c(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)cc(C)c2c1 ZINC001155600263 1380471557 /nfs/dbraw/zinc/47/15/57/1380471557.db2.gz WDGMXIGTXHMVDO-FOIQADDNSA-N 2 1 341.455 3.122 20 0 EGADMP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825145 1380495846 /nfs/dbraw/zinc/49/58/46/1380495846.db2.gz FECPNOGYFREVMU-QGZVFWFLSA-N 2 1 348.535 3.379 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825145 1380495847 /nfs/dbraw/zinc/49/58/47/1380495847.db2.gz FECPNOGYFREVMU-QGZVFWFLSA-N 2 1 348.535 3.379 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155838910 1380497974 /nfs/dbraw/zinc/49/79/74/1380497974.db2.gz HEJVOQBZWNELRX-QGZVFWFLSA-N 2 1 333.520 3.379 20 0 EGADMP Cc1cnc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(C[NH3+])c1 ZINC001156317737 1380557301 /nfs/dbraw/zinc/55/73/01/1380557301.db2.gz NEWXXAJVIJTGFG-YSIASYRMSA-N 2 1 336.483 3.171 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(CC)cc1 ZINC001156517500 1380586995 /nfs/dbraw/zinc/58/69/95/1380586995.db2.gz YQCRZVOCNZGLPJ-GOSISDBHSA-N 2 1 347.547 3.308 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(CC)cc1 ZINC001156517500 1380586996 /nfs/dbraw/zinc/58/69/96/1380586996.db2.gz YQCRZVOCNZGLPJ-GOSISDBHSA-N 2 1 347.547 3.308 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(CC)cc1 ZINC001156517500 1380586998 /nfs/dbraw/zinc/58/69/98/1380586998.db2.gz YQCRZVOCNZGLPJ-GOSISDBHSA-N 2 1 347.547 3.308 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccccc1C(C)C ZINC001156529511 1380588645 /nfs/dbraw/zinc/58/86/45/1380588645.db2.gz CKUWSRAIXLWGQL-GOSISDBHSA-N 2 1 347.547 3.478 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1C(C)C ZINC001156529511 1380588646 /nfs/dbraw/zinc/58/86/46/1380588646.db2.gz CKUWSRAIXLWGQL-GOSISDBHSA-N 2 1 347.547 3.478 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CCCc1cccc(C)c1 ZINC001156530667 1380589449 /nfs/dbraw/zinc/58/94/49/1380589449.db2.gz SUCQHQBVPOGRKH-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CCCc1cccc(C)c1 ZINC001156530667 1380589450 /nfs/dbraw/zinc/58/94/50/1380589450.db2.gz SUCQHQBVPOGRKH-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CCCc1cccc(C)c1 ZINC001156530667 1380589451 /nfs/dbraw/zinc/58/94/51/1380589451.db2.gz SUCQHQBVPOGRKH-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP CCCC[NH+](CCCC)CCNc1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001156905109 1380722619 /nfs/dbraw/zinc/72/26/19/1380722619.db2.gz GIAIIIPJTQRWGZ-UHFFFAOYSA-N 3 1 347.551 3.323 20 0 EGADMP CC[N@@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092512 1380774222 /nfs/dbraw/zinc/77/42/22/1380774222.db2.gz YODBJOYAEQIGQY-LJQANCHMSA-N 2 1 345.531 3.198 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098627 1380774993 /nfs/dbraw/zinc/77/49/93/1380774993.db2.gz PLBZQZZGYDLETP-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157118574 1380780097 /nfs/dbraw/zinc/78/00/97/1380780097.db2.gz IJKQGVSAHRLUSE-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCC[N@@H+](C)CCC(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158032665 1381107926 /nfs/dbraw/zinc/10/79/26/1381107926.db2.gz WHLJCHDNBNITDO-FQEVSTJZSA-N 2 1 337.552 3.271 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001158082713 1381123372 /nfs/dbraw/zinc/12/33/72/1381123372.db2.gz IYGNDROWCWEIKP-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001158082713 1381123378 /nfs/dbraw/zinc/12/33/78/1381123378.db2.gz IYGNDROWCWEIKP-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001158082713 1381123382 /nfs/dbraw/zinc/12/33/82/1381123382.db2.gz IYGNDROWCWEIKP-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158100241 1381127568 /nfs/dbraw/zinc/12/75/68/1381127568.db2.gz YTSASAHYLAPBDF-SFHVURJKSA-N 2 1 337.552 3.317 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158185217 1381151495 /nfs/dbraw/zinc/15/14/95/1381151495.db2.gz DFUODDSUIOFADW-GOSISDBHSA-N 2 1 340.471 3.227 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001158290112 1381187099 /nfs/dbraw/zinc/18/70/99/1381187099.db2.gz XLWBLWUMJNZLCY-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC2(CCC2)C1 ZINC001158445731 1381248613 /nfs/dbraw/zinc/24/86/13/1381248613.db2.gz OSYGAPAMEANBAX-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158449601 1381249681 /nfs/dbraw/zinc/24/96/81/1381249681.db2.gz CZINTUZHBQHYSK-IEBWSBKVSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C[NH+](C)CCCC1CCC1 ZINC001158474344 1381257836 /nfs/dbraw/zinc/25/78/36/1381257836.db2.gz XQDWEYUHTWRXPO-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC1CCC1 ZINC001158474344 1381257842 /nfs/dbraw/zinc/25/78/42/1381257842.db2.gz XQDWEYUHTWRXPO-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC1CCC1 ZINC001158474344 1381257845 /nfs/dbraw/zinc/25/78/45/1381257845.db2.gz XQDWEYUHTWRXPO-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001158486749 1381264119 /nfs/dbraw/zinc/26/41/19/1381264119.db2.gz JCQXCWIRTDJLOV-AMQGLKLZSA-N 2 1 337.552 3.386 20 0 EGADMP C[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CC1)[NH+]1CCCCCC1 ZINC001158550253 1381294282 /nfs/dbraw/zinc/29/42/82/1381294282.db2.gz UDTJLUPQWVEXQY-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CC1(C)CC[N@@H+](CCNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001159012320 1381509259 /nfs/dbraw/zinc/50/92/59/1381509259.db2.gz POJHGCYQQMTHDQ-UHFFFAOYSA-N 2 1 343.515 3.134 20 0 EGADMP [NH3+][C@@H](c1noc(CC[C@H]([NH3+])CC2CCCCC2)n1)c1ccccc1 ZINC001328378922 1388733655 /nfs/dbraw/zinc/73/36/55/1388733655.db2.gz HIDIGNGAVCTDCO-FUHWJXTLSA-N 2 1 328.460 3.348 20 0 EGADMP Cc1cccc(C)c1C[NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001328412546 1388739811 /nfs/dbraw/zinc/73/98/11/1388739811.db2.gz FDEHZGREVLEEMH-SFHVURJKSA-N 2 1 347.547 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001159335337 1381767839 /nfs/dbraw/zinc/76/78/39/1381767839.db2.gz YKORYLFZGOEJIR-SFHVURJKSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001159335265 1381767855 /nfs/dbraw/zinc/76/78/55/1381767855.db2.gz XEWNOLWNFMCBGH-QUCCMNQESA-N 2 1 345.531 3.335 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001159355369 1381774563 /nfs/dbraw/zinc/77/45/63/1381774563.db2.gz DNEHIIYPYMNKDR-MJGOQNOKSA-N 2 1 331.504 3.026 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CCCCCC2)CC1 ZINC001159628513 1381852652 /nfs/dbraw/zinc/85/26/52/1381852652.db2.gz KQAQEQSTDLTXIR-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC2CCCCCC2)CC1 ZINC001159628513 1381852656 /nfs/dbraw/zinc/85/26/56/1381852656.db2.gz KQAQEQSTDLTXIR-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC2CCCCCC2)CC1 ZINC001159628513 1381852664 /nfs/dbraw/zinc/85/26/64/1381852664.db2.gz KQAQEQSTDLTXIR-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC001159823238 1381911788 /nfs/dbraw/zinc/91/17/88/1381911788.db2.gz VYMDNGRFRUJOQY-UXHICEINSA-N 2 1 345.531 3.212 20 0 EGADMP Cc1cc(Nc2cc(F)ccc2OCC2CC[NH2+]CC2)c[nH+]c1N ZINC001159888808 1381928571 /nfs/dbraw/zinc/92/85/71/1381928571.db2.gz DQVOBXJZKGXRPK-UHFFFAOYSA-N 2 1 330.407 3.233 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]C/C=C/c1ccccc1 ZINC001159902224 1381932728 /nfs/dbraw/zinc/93/27/28/1381932728.db2.gz VCTWXCXWWALAQL-HSSRVXSRSA-N 2 1 343.515 3.059 20 0 EGADMP CC[NH2+]Cc1cccc(Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001159956895 1381949291 /nfs/dbraw/zinc/94/92/91/1381949291.db2.gz VQCVXFDSWXVFAV-UHFFFAOYSA-N 2 1 325.456 3.372 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](CCCC3CCC3)CC2)CC[N@H+]1C ZINC001160169103 1382023143 /nfs/dbraw/zinc/02/31/43/1382023143.db2.gz JIBNDAQQVVBASM-YLJYHZDGSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@H+](CCCC3CCC3)CC2)CC[NH+]1C ZINC001160169103 1382023145 /nfs/dbraw/zinc/02/31/45/1382023145.db2.gz JIBNDAQQVVBASM-YLJYHZDGSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@@H+](CCCC3CCC3)CC2)CC[NH+]1C ZINC001160169103 1382023149 /nfs/dbraw/zinc/02/31/49/1382023149.db2.gz JIBNDAQQVVBASM-YLJYHZDGSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+](C)C1(C(=O)NCCC2=CC[N@@H+](CC3CCCCC3)CC2)CCC1 ZINC001160360361 1382083187 /nfs/dbraw/zinc/08/31/87/1382083187.db2.gz PPMZBCCZDABLMM-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+](C)[C@H](C(=O)NCCC1=CC[N@@H+](CCCC(C)(C)C)CC1)C1CC1 ZINC001160360284 1382083214 /nfs/dbraw/zinc/08/32/14/1382083214.db2.gz NGFHLLNQQLHZHE-IBGZPJMESA-N 2 1 349.563 3.291 20 0 EGADMP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001290680866 1382103500 /nfs/dbraw/zinc/10/35/00/1382103500.db2.gz JURHFWPUDOTMPS-FGTMMUONSA-N 2 1 325.541 3.074 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001160499369 1382124412 /nfs/dbraw/zinc/12/44/12/1382124412.db2.gz CGQQUMBQWUCGBH-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001160499369 1382124417 /nfs/dbraw/zinc/12/44/17/1382124417.db2.gz CGQQUMBQWUCGBH-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001160499369 1382124419 /nfs/dbraw/zinc/12/44/19/1382124419.db2.gz CGQQUMBQWUCGBH-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1=CC[NH+](Cc2ccsc2)CC1 ZINC001160519018 1382129193 /nfs/dbraw/zinc/12/91/93/1382129193.db2.gz VEOOTISGSCYRLZ-UHFFFAOYSA-N 2 1 349.544 3.117 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCCC1=CC[N@H+](Cc2ccsc2)CC1 ZINC001160519018 1382129195 /nfs/dbraw/zinc/12/91/95/1382129195.db2.gz VEOOTISGSCYRLZ-UHFFFAOYSA-N 2 1 349.544 3.117 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2ccsc2)CC1 ZINC001160519018 1382129202 /nfs/dbraw/zinc/12/92/02/1382129202.db2.gz VEOOTISGSCYRLZ-UHFFFAOYSA-N 2 1 349.544 3.117 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1=CC[NH+](CCC2CCCC2)CC1 ZINC001160518575 1382129337 /nfs/dbraw/zinc/12/93/37/1382129337.db2.gz PBKWCJHOTPWQGU-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001160518575 1382129340 /nfs/dbraw/zinc/12/93/40/1382129340.db2.gz PBKWCJHOTPWQGU-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCCC1=CC[N@@H+](CCC2CCCC2)CC1 ZINC001160518575 1382129346 /nfs/dbraw/zinc/12/93/46/1382129346.db2.gz PBKWCJHOTPWQGU-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C(=O)N(C)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001160696070 1382173282 /nfs/dbraw/zinc/17/32/82/1382173282.db2.gz UDJAANVFRDYSCU-UYAOXDASSA-N 2 1 345.531 3.308 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160857270 1382218036 /nfs/dbraw/zinc/21/80/36/1382218036.db2.gz XRKKTSUIAYLTGF-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+](C)CCCC(=O)NCCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001161036196 1382279081 /nfs/dbraw/zinc/27/90/81/1382279081.db2.gz FOJDOIYOMDTPRE-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC1=CC[NH+](CCC2CCCC2)CC1 ZINC001161207261 1382341442 /nfs/dbraw/zinc/34/14/42/1382341442.db2.gz RORAVXUNAAPHSK-GOSISDBHSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001161207261 1382341447 /nfs/dbraw/zinc/34/14/47/1382341447.db2.gz RORAVXUNAAPHSK-GOSISDBHSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@@H+](CCC2CCCC2)CC1 ZINC001161207261 1382341454 /nfs/dbraw/zinc/34/14/54/1382341454.db2.gz RORAVXUNAAPHSK-GOSISDBHSA-N 2 1 347.547 3.189 20 0 EGADMP CCCc1cc(NCC2CC[NH+](C3CCOCC3)CC2)nc(C)[nH+]1 ZINC001161236373 1382351128 /nfs/dbraw/zinc/35/11/28/1382351128.db2.gz IWEHHSBMUFBDLY-UHFFFAOYSA-N 2 1 332.492 3.040 20 0 EGADMP CC[C@@H](C(=O)NCCC1=CC[N@H+]([C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001161240378 1382352012 /nfs/dbraw/zinc/35/20/12/1382352012.db2.gz VEEVWPKMFKOFQR-PXNSSMCTSA-N 2 1 343.515 3.226 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161390848 1382395867 /nfs/dbraw/zinc/39/58/67/1382395867.db2.gz LVXFJMKWWXQHQB-LJQANCHMSA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161390848 1382395869 /nfs/dbraw/zinc/39/58/69/1382395869.db2.gz LVXFJMKWWXQHQB-LJQANCHMSA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161390848 1382395872 /nfs/dbraw/zinc/39/58/72/1382395872.db2.gz LVXFJMKWWXQHQB-LJQANCHMSA-N 2 1 335.536 3.188 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465179 1382416860 /nfs/dbraw/zinc/41/68/60/1382416860.db2.gz APHXNHATOSWERH-QGZVFWFLSA-N 2 1 346.519 3.156 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465179 1382416866 /nfs/dbraw/zinc/41/68/66/1382416866.db2.gz APHXNHATOSWERH-QGZVFWFLSA-N 2 1 346.519 3.156 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC001161644927 1382468277 /nfs/dbraw/zinc/46/82/77/1382468277.db2.gz VGEFNONLXPQPLQ-VQIMIIECSA-N 2 1 349.494 3.103 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](CC2CCC(C)CC2)CC1 ZINC001161645587 1382469662 /nfs/dbraw/zinc/46/96/62/1382469662.db2.gz MXBJUCBTOCMGHJ-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@H+](CC2CCC(C)CC2)CC1 ZINC001161645587 1382469664 /nfs/dbraw/zinc/46/96/64/1382469664.db2.gz MXBJUCBTOCMGHJ-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CC2CCC(C)CC2)CC1 ZINC001161645587 1382469668 /nfs/dbraw/zinc/46/96/68/1382469668.db2.gz MXBJUCBTOCMGHJ-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP Fc1cccc([C@@H](Nc2nc(NC3CC3)cc[nH+]2)C2CC[NH2+]CC2)c1 ZINC001161820800 1382520334 /nfs/dbraw/zinc/52/03/34/1382520334.db2.gz ONYTYJBSDAHTDP-SFHVURJKSA-N 2 1 341.434 3.343 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161924883 1382554870 /nfs/dbraw/zinc/55/48/70/1382554870.db2.gz OGBZIXAGQGYQPF-ROUUACIJSA-N 2 1 335.536 3.044 20 0 EGADMP C[NH+](C)Cc1c(F)cc(NCc2ccc3c(c2)CC[NH2+]C3)cc1F ZINC001162815143 1382883474 /nfs/dbraw/zinc/88/34/74/1382883474.db2.gz JDKHKVMQEXDYHR-UHFFFAOYSA-N 2 1 331.410 3.284 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](Nc2cccc(OCC[NH+]3CCCC3)n2)[C@@H](C)C1 ZINC001163366277 1383032918 /nfs/dbraw/zinc/03/29/18/1383032918.db2.gz TZOUTVHRIQRZGO-ZWKOTPCHSA-N 2 1 346.519 3.087 20 0 EGADMP CC(C)CCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164500834 1383193825 /nfs/dbraw/zinc/19/38/25/1383193825.db2.gz HTFBQNSAXSLRKW-IBGZPJMESA-N 2 1 337.552 3.316 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531960 1383196953 /nfs/dbraw/zinc/19/69/53/1383196953.db2.gz YAMXUYSGIBTHRG-QVOQXLMASA-N 2 1 347.547 3.093 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@@H]([NH3+])C(F)(F)C2)nc1 ZINC001165127128 1383233567 /nfs/dbraw/zinc/23/35/67/1383233567.db2.gz CMYVZURXGJEJQV-JKSUJKDBSA-N 2 1 338.446 3.191 20 0 EGADMP CN(C)c1cccc(N2CCC([N@H+]3CCc4ccccc4C3)CC2)[nH+]1 ZINC001165151050 1383238133 /nfs/dbraw/zinc/23/81/33/1383238133.db2.gz YBUYLHCKGBWVRY-UHFFFAOYSA-N 2 1 336.483 3.175 20 0 EGADMP CC(C)([NH3+])c1ccccc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001165398127 1383285905 /nfs/dbraw/zinc/28/59/05/1383285905.db2.gz APZWXEHFCVSRJJ-UHFFFAOYSA-N 2 1 339.483 3.325 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165473277 1383300125 /nfs/dbraw/zinc/30/01/25/1383300125.db2.gz ZGGPQGJJYGNUEE-UEKDZROGSA-N 2 1 349.563 3.482 20 0 EGADMP CC(C)CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001165485188 1383301945 /nfs/dbraw/zinc/30/19/45/1383301945.db2.gz OLUIBATYMLJBAT-KRWDZBQOSA-N 2 1 346.519 3.073 20 0 EGADMP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001165765069 1383342001 /nfs/dbraw/zinc/34/20/01/1383342001.db2.gz XPVQCFAHYBHTFK-DUMMIQTOSA-N 2 1 335.536 3.093 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCCC2(C[NH2+]CCC3CCCCC3)CC2)C1 ZINC001167232442 1383570960 /nfs/dbraw/zinc/57/09/60/1383570960.db2.gz CPYAXXSXXPYEPD-SFHVURJKSA-N 2 1 349.563 3.175 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001167240528 1383573304 /nfs/dbraw/zinc/57/33/04/1383573304.db2.gz LVRNQSXYSCUESE-UHFFFAOYSA-N 2 1 339.568 3.421 20 0 EGADMP CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385545 1383618788 /nfs/dbraw/zinc/61/87/88/1383618788.db2.gz IJZQQQUXMPWJEO-ROUUACIJSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385826 1383619190 /nfs/dbraw/zinc/61/91/90/1383619190.db2.gz VAVLDXDMHLWXJW-SFHVURJKSA-N 2 1 335.536 3.092 20 0 EGADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC001167478827 1383645415 /nfs/dbraw/zinc/64/54/15/1383645415.db2.gz YXKWTQGMLKRADK-NRFANRHFSA-N 3 1 329.532 3.446 20 0 EGADMP C[NH+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC001167478827 1383645416 /nfs/dbraw/zinc/64/54/16/1383645416.db2.gz YXKWTQGMLKRADK-NRFANRHFSA-N 3 1 329.532 3.446 20 0 EGADMP C[NH+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001167478827 1383645420 /nfs/dbraw/zinc/64/54/20/1383645420.db2.gz YXKWTQGMLKRADK-NRFANRHFSA-N 3 1 329.532 3.446 20 0 EGADMP CN(Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC001167478827 1383645423 /nfs/dbraw/zinc/64/54/23/1383645423.db2.gz YXKWTQGMLKRADK-NRFANRHFSA-N 2 1 329.532 3.446 20 0 EGADMP CN(Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001167478827 1383645424 /nfs/dbraw/zinc/64/54/24/1383645424.db2.gz YXKWTQGMLKRADK-NRFANRHFSA-N 2 1 329.532 3.446 20 0 EGADMP CN1CCC[C@H](C[N@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001167478827 1383645428 /nfs/dbraw/zinc/64/54/28/1383645428.db2.gz YXKWTQGMLKRADK-NRFANRHFSA-N 2 1 329.532 3.446 20 0 EGADMP CN1CCC[C@H](C[N@@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001167478827 1383645429 /nfs/dbraw/zinc/64/54/29/1383645429.db2.gz YXKWTQGMLKRADK-NRFANRHFSA-N 2 1 329.532 3.446 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC001167636585 1383694740 /nfs/dbraw/zinc/69/47/40/1383694740.db2.gz VSVTXPLCCJHCGO-APWZRJJASA-N 2 1 349.494 3.246 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccnc2[nH]cc(C[NH+](C)C)c21 ZINC001167753138 1383730273 /nfs/dbraw/zinc/73/02/73/1383730273.db2.gz LGBVFDFIUSGNRF-OAHLLOKOSA-N 2 1 329.492 3.301 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001167824394 1383749571 /nfs/dbraw/zinc/74/95/71/1383749571.db2.gz OKSXOZCSWSSLBL-GSEOLPGOSA-N 2 1 338.536 3.155 20 0 EGADMP C(OC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1C[C@H]3C[C@H]3C1)C2)C1CC1 ZINC001167935731 1383772369 /nfs/dbraw/zinc/77/23/69/1383772369.db2.gz LJQBSRGSPQRUOU-PVIWCNJMSA-N 2 1 344.543 3.245 20 0 EGADMP C(OC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1C[C@H]3C[C@H]3C1)C2)C1CC1 ZINC001167935731 1383772372 /nfs/dbraw/zinc/77/23/72/1383772372.db2.gz LJQBSRGSPQRUOU-PVIWCNJMSA-N 2 1 344.543 3.245 20 0 EGADMP C(OC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1C[C@H]3C[C@H]3C1)C2)C1CC1 ZINC001167935731 1383772376 /nfs/dbraw/zinc/77/23/76/1383772376.db2.gz LJQBSRGSPQRUOU-PVIWCNJMSA-N 2 1 344.543 3.245 20 0 EGADMP OCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(F)cc1 ZINC001167964013 1383780850 /nfs/dbraw/zinc/78/08/50/1383780850.db2.gz KBOUKQXCMAKAQF-RAFMOHDBSA-N 2 1 332.463 3.244 20 0 EGADMP OCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(F)cc1 ZINC001167964013 1383780851 /nfs/dbraw/zinc/78/08/51/1383780851.db2.gz KBOUKQXCMAKAQF-RAFMOHDBSA-N 2 1 332.463 3.244 20 0 EGADMP Fc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)nc1 ZINC001167979101 1383785434 /nfs/dbraw/zinc/78/54/34/1383785434.db2.gz VGFDKODFECKTOZ-AYHJJNSGSA-N 2 1 329.463 3.247 20 0 EGADMP c1cncc(CC2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167979042 1383785533 /nfs/dbraw/zinc/78/55/33/1383785533.db2.gz SWAATOIRLGYFNS-IHWFROFDSA-N 2 1 325.500 3.399 20 0 EGADMP C[N@H+]1CCCC[C@H]1c1ccc(N(C(N)=[NH2+])c2ccc(F)cc2)nc1 ZINC001167991033 1383789767 /nfs/dbraw/zinc/78/97/67/1383789767.db2.gz FFSQKKSZHMDATI-INIZCTEOSA-N 2 1 327.407 3.409 20 0 EGADMP C[C@@H]1CC([NH2+]C[C@@H](O)c2ccco2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168008210 1383794942 /nfs/dbraw/zinc/79/49/42/1383794942.db2.gz WQKXHPNSVASNMM-GPMSIDNRSA-N 2 1 328.456 3.344 20 0 EGADMP C[C@@H]1CC([NH2+]CC(=O)NC2CCCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168007797 1383795288 /nfs/dbraw/zinc/79/52/88/1383795288.db2.gz BJFFRCGVBDDICA-IAGOWNOFSA-N 2 1 343.515 3.076 20 0 EGADMP C[C@@H]1C[C@@H](n2cc3c(n2)CC[C@@H]([NH3+])C3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018292 1383797838 /nfs/dbraw/zinc/79/78/38/1383797838.db2.gz CMJWHMKXCBZHGQ-WOUAJJJCSA-N 2 1 338.499 3.313 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccnc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168020421 1383798787 /nfs/dbraw/zinc/79/87/87/1383798787.db2.gz NACARCKLUXGOOZ-HRQSHJORSA-N 2 1 339.483 3.146 20 0 EGADMP C[C@@H]1CC([NH2+]Cc2cncn2CCF)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168037001 1383800687 /nfs/dbraw/zinc/80/06/87/1383800687.db2.gz YCHUAZLVQSDLPI-IAGOWNOFSA-N 2 1 344.478 3.384 20 0 EGADMP CC[N@H+]1CCCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168039364 1383802720 /nfs/dbraw/zinc/80/27/20/1383802720.db2.gz DOLJOPRWWRCGCK-OALUTQOASA-N 2 1 329.532 3.456 20 0 EGADMP C[C@@H]1CC(N2CC[C@]3(CC[N@@H+](C)C3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059879 1383806379 /nfs/dbraw/zinc/80/63/79/1383806379.db2.gz VSCZCWBTKOGFTG-KNKQGSTJSA-N 2 1 341.543 3.456 20 0 EGADMP COC(=O)[C@H]1C[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C ZINC001168068048 1383809273 /nfs/dbraw/zinc/80/92/73/1383809273.db2.gz XDKIPFJMQZDXIR-GCLMUHHRSA-N 2 1 344.499 3.169 20 0 EGADMP COC(=O)[C@H]1C[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C ZINC001168068048 1383809277 /nfs/dbraw/zinc/80/92/77/1383809277.db2.gz XDKIPFJMQZDXIR-GCLMUHHRSA-N 2 1 344.499 3.169 20 0 EGADMP COC(=O)[C@H]1C[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C ZINC001168068048 1383809279 /nfs/dbraw/zinc/80/92/79/1383809279.db2.gz XDKIPFJMQZDXIR-GCLMUHHRSA-N 2 1 344.499 3.169 20 0 EGADMP C[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001168314527 1383871321 /nfs/dbraw/zinc/87/13/21/1383871321.db2.gz MJANKJNOSCQLSV-KLAILNCOSA-N 2 1 339.524 3.191 20 0 EGADMP C[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001168315493 1383871735 /nfs/dbraw/zinc/87/17/35/1383871735.db2.gz WMZNUOJTKSBQML-RDHHWEPZSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168324650 1383873053 /nfs/dbraw/zinc/87/30/53/1383873053.db2.gz SQASTJVSXLEHCE-NJINODPHSA-N 2 1 339.524 3.237 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)[C@H](c2ccccc2)C1 ZINC001168328249 1383874029 /nfs/dbraw/zinc/87/40/29/1383874029.db2.gz BOZZWFGLSKOCAP-OAHAVBBTSA-N 2 1 344.499 3.486 20 0 EGADMP COC(=O)[C@@H](CCC[NH3+])[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168337346 1383876604 /nfs/dbraw/zinc/87/66/04/1383876604.db2.gz MCVJGAOCWVINKG-BDVYOWHSSA-N 2 1 338.879 3.236 20 0 EGADMP C([NH2+]C1CCN(CC2CC2)CC1)C1CC[NH+](CC2CCCC2)CC1 ZINC001168365627 1383884720 /nfs/dbraw/zinc/88/47/20/1383884720.db2.gz AVOVSFWMNQTZJT-UHFFFAOYSA-N 2 1 333.564 3.353 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+]CC[C@@H]1CCC[C@H](C)C1 ZINC001168369266 1383886784 /nfs/dbraw/zinc/88/67/84/1383886784.db2.gz MXGWJBGUCZGFGA-HKUYNNGSSA-N 2 1 348.535 3.284 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168417076 1383900980 /nfs/dbraw/zinc/90/09/80/1383900980.db2.gz NUXXFLVRZGJHHY-ZJOUEHCJSA-N 2 1 346.490 3.434 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1cc(C)ccc1C ZINC001168595954 1383944703 /nfs/dbraw/zinc/94/47/03/1383944703.db2.gz OJSJTPOASGHOTF-UHFFFAOYSA-N 2 1 347.547 3.411 20 0 EGADMP COC(=O)C1(C)CCC(N(c2[nH+]cccc2C)C2CC[NH2+]CC2)CC1 ZINC001168797180 1384008791 /nfs/dbraw/zinc/00/87/91/1384008791.db2.gz REAWASYNMKFKQP-UHFFFAOYSA-N 2 1 345.487 3.070 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001308179303 1384106001 /nfs/dbraw/zinc/10/60/01/1384106001.db2.gz BQNMOFVEGDMLHO-UHFFFAOYSA-N 2 1 339.483 3.033 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001308179303 1384106003 /nfs/dbraw/zinc/10/60/03/1384106003.db2.gz BQNMOFVEGDMLHO-UHFFFAOYSA-N 2 1 339.483 3.033 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCCC(=O)OCc1ccccc1)C2 ZINC001169101487 1384107193 /nfs/dbraw/zinc/10/71/93/1384107193.db2.gz SRTOVECVAGANJL-LDLYASANSA-N 2 1 330.472 3.115 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=[NH2+])Cc1cccc(C(F)(F)F)c1)C2 ZINC001169110182 1384108708 /nfs/dbraw/zinc/10/87/08/1384108708.db2.gz LIWHASQUOLUGCJ-QKDCVEJESA-N 2 1 325.378 3.440 20 0 EGADMP C[C@@H](CNC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001308200102 1384108766 /nfs/dbraw/zinc/10/87/66/1384108766.db2.gz UAARTHVRPHRDED-MOPGFXCFSA-N 2 1 329.532 3.361 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH3+])(Cc3ccccc3Cl)CC1)C2 ZINC001169115356 1384109265 /nfs/dbraw/zinc/10/92/65/1384109265.db2.gz JHEXWEOTVDMCDP-BCDXTJNWSA-N 2 1 347.934 3.301 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc3c(c2)ncn3C)cc1F ZINC001308220161 1384110080 /nfs/dbraw/zinc/11/00/80/1384110080.db2.gz JHVIMNKKEYLKSB-UHFFFAOYSA-N 2 1 349.413 3.496 20 0 EGADMP C[NH+](C)C[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169125230 1384110391 /nfs/dbraw/zinc/11/03/91/1384110391.db2.gz WTIHCIAAVIWWQB-FAIWKWDXSA-N 2 1 345.575 3.348 20 0 EGADMP CN(C)C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169125230 1384110394 /nfs/dbraw/zinc/11/03/94/1384110394.db2.gz WTIHCIAAVIWWQB-FAIWKWDXSA-N 2 1 345.575 3.348 20 0 EGADMP CN(C)C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C12CC3CC(CC(C3)C1)C2 ZINC001169125230 1384110399 /nfs/dbraw/zinc/11/03/99/1384110399.db2.gz WTIHCIAAVIWWQB-FAIWKWDXSA-N 2 1 345.575 3.348 20 0 EGADMP Cn1c2ccccc2nc1C1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169146021 1384114423 /nfs/dbraw/zinc/11/44/23/1384114423.db2.gz OFFSPYZPRBDZCD-PIIMJCKOSA-N 2 1 338.499 3.378 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001308368293 1384122483 /nfs/dbraw/zinc/12/24/83/1384122483.db2.gz RDRRGXLDFIGSFT-WBVHZDCISA-N 2 1 326.488 3.316 20 0 EGADMP CC[NH+]1CCC(N(C)[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)CC1 ZINC001169258545 1384128386 /nfs/dbraw/zinc/12/83/86/1384128386.db2.gz LWSPTJKPTJEKGE-GHTZIAJQSA-N 2 1 329.532 3.313 20 0 EGADMP CC[N@H+](C1CC[NH+](CC)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001169262136 1384128882 /nfs/dbraw/zinc/12/88/82/1384128882.db2.gz SWWSUYYKDOXEMN-QGZVFWFLSA-N 2 1 339.524 3.192 20 0 EGADMP CC[N@@H+](C1CC[NH+](CC)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001169262136 1384128883 /nfs/dbraw/zinc/12/88/83/1384128883.db2.gz SWWSUYYKDOXEMN-QGZVFWFLSA-N 2 1 339.524 3.192 20 0 EGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C1CCC(OC(=O)c3ccccc3)CC1)C2 ZINC001169305449 1384134281 /nfs/dbraw/zinc/13/42/81/1384134281.db2.gz KRLNZFLCKQVXSR-YXUAKONQSA-N 2 1 342.483 3.038 20 0 EGADMP CCOC(=O)N1CCC[C@@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001169691694 1384174071 /nfs/dbraw/zinc/17/40/71/1384174071.db2.gz GBURYNIFRSTILH-GOSISDBHSA-N 2 1 339.524 3.050 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)c(C)c1 ZINC001169810605 1384188090 /nfs/dbraw/zinc/18/80/90/1384188090.db2.gz RIWPEFGPXWEVSV-AZUAARDMSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)CCC[C@H](C)N(c1[nH+]ccn1C)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001170078485 1384229594 /nfs/dbraw/zinc/22/95/94/1384229594.db2.gz SHUZCJJBYXGMDI-ROUUACIJSA-N 2 1 348.535 3.352 20 0 EGADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CC[C@H](C)C3)CC2)c1 ZINC001170157344 1384250756 /nfs/dbraw/zinc/25/07/56/1384250756.db2.gz KKCYNKXGZYOVLW-KXBFYZLASA-N 2 1 330.472 3.216 20 0 EGADMP CC[C@@H]1CC([N@@H+]2CCC[C@@H]([NH3+])C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170464167 1384325487 /nfs/dbraw/zinc/32/54/87/1384325487.db2.gz IDTYYPXHDAXSIY-BZUAXINKSA-N 2 1 339.524 3.366 20 0 EGADMP CC[C@@H]1CC([N@H+]2CCC[C@@H]([NH3+])C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170464167 1384325489 /nfs/dbraw/zinc/32/54/89/1384325489.db2.gz IDTYYPXHDAXSIY-BZUAXINKSA-N 2 1 339.524 3.366 20 0 EGADMP CC[C@@H]1CC([N@@H+]2CCC[C@H]([NH3+])C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170464165 1384325819 /nfs/dbraw/zinc/32/58/19/1384325819.db2.gz IDTYYPXHDAXSIY-ARFHVFGLSA-N 2 1 339.524 3.366 20 0 EGADMP CC[C@@H]1CC([N@H+]2CCC[C@H]([NH3+])C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170464165 1384325822 /nfs/dbraw/zinc/32/58/22/1384325822.db2.gz IDTYYPXHDAXSIY-ARFHVFGLSA-N 2 1 339.524 3.366 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)C1 ZINC001170746426 1384376636 /nfs/dbraw/zinc/37/66/36/1384376636.db2.gz MMKXEQYFYJLKSF-OQIJWPOYSA-N 2 1 348.531 3.161 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)C1 ZINC001170746426 1384376642 /nfs/dbraw/zinc/37/66/42/1384376642.db2.gz MMKXEQYFYJLKSF-OQIJWPOYSA-N 2 1 348.531 3.161 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C ZINC001170785085 1384384823 /nfs/dbraw/zinc/38/48/23/1384384823.db2.gz NSMRCFKEBAWYNN-FQEVSTJZSA-N 2 1 345.531 3.246 20 0 EGADMP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170794271 1384387226 /nfs/dbraw/zinc/38/72/26/1384387226.db2.gz CGKIDBPJDVRDIG-QZTJIDSGSA-N 2 1 337.552 3.314 20 0 EGADMP C[C@@H]1COCC[C@H]1Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001170820651 1384391602 /nfs/dbraw/zinc/39/16/02/1384391602.db2.gz UPEFSCWTTMRMIQ-DJIMGWMZSA-N 2 1 328.460 3.188 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170868819 1384401858 /nfs/dbraw/zinc/40/18/58/1384401858.db2.gz NOCNUVPLZNMQQE-JLZZUVOBSA-N 2 1 337.305 3.236 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170868819 1384401859 /nfs/dbraw/zinc/40/18/59/1384401859.db2.gz NOCNUVPLZNMQQE-JLZZUVOBSA-N 2 1 337.305 3.236 20 0 EGADMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170869141 1384402121 /nfs/dbraw/zinc/40/21/21/1384402121.db2.gz OKUVJCMHYLNUBF-MRXNPFEDSA-N 2 1 325.294 3.190 20 0 EGADMP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171247781 1384477548 /nfs/dbraw/zinc/47/75/48/1384477548.db2.gz OEZMJHCZABOETN-SJORKVTESA-N 2 1 348.535 3.461 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl ZINC001171248362 1384478081 /nfs/dbraw/zinc/47/80/81/1384478081.db2.gz TUXBQAWLDMEOSW-XKJZPFPASA-N 2 1 343.943 3.266 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171248652 1384478463 /nfs/dbraw/zinc/47/84/63/1384478463.db2.gz WXHWEYUVQSVNNC-FUHWJXTLSA-N 2 1 346.519 3.215 20 0 EGADMP C[C@@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171260226 1384481123 /nfs/dbraw/zinc/48/11/23/1384481123.db2.gz FYYSIQGHQVVCJA-INIZCTEOSA-N 2 1 349.494 3.075 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001316611206 1384481880 /nfs/dbraw/zinc/48/18/80/1384481880.db2.gz OHKMZZFADSISAA-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171539142 1384556217 /nfs/dbraw/zinc/55/62/17/1384556217.db2.gz QWKBMLLKRJLXNV-IEBWSBKVSA-N 2 1 335.536 3.236 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171541679 1384557276 /nfs/dbraw/zinc/55/72/76/1384557276.db2.gz KNBQFTABDPRSQJ-AWEZNQCLSA-N 2 1 326.406 3.379 20 0 EGADMP C[C@@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171539974 1384557387 /nfs/dbraw/zinc/55/73/87/1384557387.db2.gz WLYCWHLXVFCYHZ-LPHOPBHVSA-N 2 1 349.494 3.075 20 0 EGADMP COc1ccc(Cl)cc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171555184 1384561372 /nfs/dbraw/zinc/56/13/72/1384561372.db2.gz VPNZQHZSUYMXSJ-UHFFFAOYSA-N 2 1 331.847 3.456 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)cc1 ZINC001171586471 1384572360 /nfs/dbraw/zinc/57/23/60/1384572360.db2.gz OKJSFONKTJHMRV-SFHVURJKSA-N 2 1 347.547 3.490 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)CC1(C)C ZINC001171636551 1384587450 /nfs/dbraw/zinc/58/74/50/1384587450.db2.gz DKYWAGHZNJHSCP-RBUKOAKNSA-N 2 1 330.516 3.316 20 0 EGADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001171646756 1384591622 /nfs/dbraw/zinc/59/16/22/1384591622.db2.gz PBTFCUMUWZUPHX-ROUUACIJSA-N 2 1 325.541 3.027 20 0 EGADMP C[C@H]1C[C@@H](n2cc(CC[NH3+])c3ncccc32)C[N@H+]1Cc1ccccc1 ZINC001171732879 1384618471 /nfs/dbraw/zinc/61/84/71/1384618471.db2.gz MCRXPFPOFQVGRH-QFBILLFUSA-N 2 1 334.467 3.373 20 0 EGADMP CC(C)(C)[N@H+]([C@@H]1Cc2cccc(F)c2C1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001171797720 1384641219 /nfs/dbraw/zinc/64/12/19/1384641219.db2.gz BFSQUYJPVHTDHK-SJORKVTESA-N 2 1 346.490 3.305 20 0 EGADMP C[C@H](CCCC[NH2+]CCCF)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001171917682 1384681672 /nfs/dbraw/zinc/68/16/72/1384681672.db2.gz CRSPBBUYXNPQQQ-QGZVFWFLSA-N 2 1 343.531 3.265 20 0 EGADMP CC1(C)OC[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)O1 ZINC001171981763 1384702072 /nfs/dbraw/zinc/70/20/72/1384702072.db2.gz CZSLJLOQHDNPTL-ZWKOTPCHSA-N 2 1 332.488 3.171 20 0 EGADMP CC1(C)C[C@@H]([NH2+]CCc2nncs2)CC[N@H+]1Cc1ccccc1 ZINC001171978551 1384702511 /nfs/dbraw/zinc/70/25/11/1384702511.db2.gz HTDJWFKFHWDQIV-INIZCTEOSA-N 2 1 330.501 3.113 20 0 EGADMP CC1(C)C[C@@H](N2CC([NH+]3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171984602 1384704491 /nfs/dbraw/zinc/70/44/91/1384704491.db2.gz NQZHAKABAJPSQN-IBGZPJMESA-N 2 1 327.516 3.210 20 0 EGADMP CCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171989138 1384705559 /nfs/dbraw/zinc/70/55/59/1384705559.db2.gz YOYUOZHWNSXUOH-HXUWFJFHSA-N 2 1 329.532 3.457 20 0 EGADMP CC1(C)[C@H](O)C[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064603 1384714531 /nfs/dbraw/zinc/71/45/31/1384714531.db2.gz DHGGJKGUVXHFBN-USYVTKNRSA-N 2 1 328.500 3.321 20 0 EGADMP O[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172064524 1384714575 /nfs/dbraw/zinc/71/45/75/1384714575.db2.gz GSFJRJIDWAGHSP-YXOJAJARSA-N 2 1 328.500 3.465 20 0 EGADMP O[C@H](C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccco1 ZINC001172063743 1384714838 /nfs/dbraw/zinc/71/48/38/1384714838.db2.gz CDYRTHSMQPLVIH-IYWMVGAKSA-N 2 1 340.467 3.488 20 0 EGADMP O[C@H]1CCCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068160 1384716846 /nfs/dbraw/zinc/71/68/46/1384716846.db2.gz HYBFSTOFRIGDSA-BQJUDKOJSA-N 2 1 328.500 3.419 20 0 EGADMP O[C@H]1CCCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068160 1384716848 /nfs/dbraw/zinc/71/68/48/1384716848.db2.gz HYBFSTOFRIGDSA-BQJUDKOJSA-N 2 1 328.500 3.419 20 0 EGADMP O[C@H]1CCCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068160 1384716851 /nfs/dbraw/zinc/71/68/51/1384716851.db2.gz HYBFSTOFRIGDSA-BQJUDKOJSA-N 2 1 328.500 3.419 20 0 EGADMP O[C@H]1CCCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068160 1384716852 /nfs/dbraw/zinc/71/68/52/1384716852.db2.gz HYBFSTOFRIGDSA-BQJUDKOJSA-N 2 1 328.500 3.419 20 0 EGADMP CC(C)C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(N)=O ZINC001172072386 1384717853 /nfs/dbraw/zinc/71/78/53/1384717853.db2.gz LYPCJCJGHFOELI-YRPNKDGESA-N 2 1 343.515 3.062 20 0 EGADMP CC(C)C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(N)=O ZINC001172072386 1384717856 /nfs/dbraw/zinc/71/78/56/1384717856.db2.gz LYPCJCJGHFOELI-YRPNKDGESA-N 2 1 343.515 3.062 20 0 EGADMP CN1CC2(C1)CC[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)N3Cc1ccccc1)C2 ZINC001172084119 1384722400 /nfs/dbraw/zinc/72/24/00/1384722400.db2.gz USGKNAPDJQGCKW-AERCQKQUSA-N 2 1 339.527 3.210 20 0 EGADMP CN1CC2(C1)CC[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172084119 1384722403 /nfs/dbraw/zinc/72/24/03/1384722403.db2.gz USGKNAPDJQGCKW-AERCQKQUSA-N 2 1 339.527 3.210 20 0 EGADMP CN1CC2(C1)CC[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172084119 1384722406 /nfs/dbraw/zinc/72/24/06/1384722406.db2.gz USGKNAPDJQGCKW-AERCQKQUSA-N 2 1 339.527 3.210 20 0 EGADMP CN1CC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001172084119 1384722409 /nfs/dbraw/zinc/72/24/09/1384722409.db2.gz USGKNAPDJQGCKW-AERCQKQUSA-N 2 1 339.527 3.210 20 0 EGADMP CN1CC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001172084119 1384722411 /nfs/dbraw/zinc/72/24/11/1384722411.db2.gz USGKNAPDJQGCKW-AERCQKQUSA-N 2 1 339.527 3.210 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC([NH3+])(Cc3ccccc3)CC1)C2 ZINC001172110979 1384730302 /nfs/dbraw/zinc/73/03/02/1384730302.db2.gz NERSSGKDOOZXTR-PMOLBWCYSA-N 2 1 327.516 3.038 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@H]3CN(Cc4cccs4)C[C@H]3C1)C2 ZINC001172116019 1384730679 /nfs/dbraw/zinc/73/06/79/1384730679.db2.gz CUDYMZUHIVJSKW-DQCOHUIHSA-N 3 1 345.556 3.127 20 0 EGADMP C[N@H+](Cc1cncc(Br)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172119605 1384732894 /nfs/dbraw/zinc/73/28/94/1384732894.db2.gz XVVOVOXNBGYSJK-ZSHCYNCHSA-N 2 1 338.293 3.291 20 0 EGADMP C[N@@H+](Cc1cncc(Br)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172119605 1384732896 /nfs/dbraw/zinc/73/28/96/1384732896.db2.gz XVVOVOXNBGYSJK-ZSHCYNCHSA-N 2 1 338.293 3.291 20 0 EGADMP C[NH+](Cc1cncc(Br)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119605 1384732898 /nfs/dbraw/zinc/73/28/98/1384732898.db2.gz XVVOVOXNBGYSJK-ZSHCYNCHSA-N 2 1 338.293 3.291 20 0 EGADMP C[NH+](Cc1cncc(Br)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119605 1384732902 /nfs/dbraw/zinc/73/29/02/1384732902.db2.gz XVVOVOXNBGYSJK-ZSHCYNCHSA-N 2 1 338.293 3.291 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1)C1CCC1 ZINC001316982976 1384740894 /nfs/dbraw/zinc/74/08/94/1384740894.db2.gz MKXPMECCNYLKJE-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CCC2CCCCCC2)C1)C1CCC1 ZINC001316982976 1384740897 /nfs/dbraw/zinc/74/08/97/1384740897.db2.gz MKXPMECCNYLKJE-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1)C1CCC1 ZINC001316982976 1384740899 /nfs/dbraw/zinc/74/08/99/1384740899.db2.gz MKXPMECCNYLKJE-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CC1(C)CCC(C[N@H+]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001316994494 1384750473 /nfs/dbraw/zinc/75/04/73/1384750473.db2.gz JGONYQJIDANXJF-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP COCCC[NH+]1CCC([NH2+]C2(c3cccc(OC)c3)CCC2)CC1 ZINC001172250574 1384755621 /nfs/dbraw/zinc/75/56/21/1384755621.db2.gz SFIJNPNNBLTAHI-UHFFFAOYSA-N 2 1 332.488 3.165 20 0 EGADMP COCCC[NH+]1CCC([NH+]2CCC3(CCc4ccccc43)CC2)CC1 ZINC001172251110 1384756101 /nfs/dbraw/zinc/75/61/01/1384756101.db2.gz ARVYKBXXNDQDLC-UHFFFAOYSA-N 2 1 342.527 3.467 20 0 EGADMP COCCC[NH+]1CCC([NH2+]C2(Cc3cccc(OC)c3)CCC2)CC1 ZINC001172249184 1384756145 /nfs/dbraw/zinc/75/61/45/1384756145.db2.gz YUSSEHHAYKCLKN-UHFFFAOYSA-N 2 1 346.515 3.251 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+]C2(C[NH3+])CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C ZINC001172357178 1384776429 /nfs/dbraw/zinc/77/64/29/1384776429.db2.gz BDKSQKLGWGJCFW-BZUAXINKSA-N 2 1 339.524 3.129 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CC[C@H](C)[C@@H](C)C3)CC2)C1 ZINC001172381781 1384781971 /nfs/dbraw/zinc/78/19/71/1384781971.db2.gz ICCAKCBXLHFXOB-IMBTUZDBSA-N 2 1 336.520 3.161 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001172626340 1384822440 /nfs/dbraw/zinc/82/24/40/1384822440.db2.gz DLTPZAVORCWREJ-XUVXKRRUSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172626340 1384822445 /nfs/dbraw/zinc/82/24/45/1384822445.db2.gz DLTPZAVORCWREJ-XUVXKRRUSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172626340 1384822448 /nfs/dbraw/zinc/82/24/48/1384822448.db2.gz DLTPZAVORCWREJ-XUVXKRRUSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001172770349 1384848070 /nfs/dbraw/zinc/84/80/70/1384848070.db2.gz LAZWKBMTSXMNHJ-RTBURBONSA-N 2 1 344.499 3.363 20 0 EGADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C2CCCC2)C2CCN(C)CC2)CC1 ZINC001172804013 1384855781 /nfs/dbraw/zinc/85/57/81/1384855781.db2.gz RRXBPUUJUUUWSU-SJLPKXTDSA-N 2 1 336.520 3.447 20 0 EGADMP CCCOc1cccnc1C(=[NH2+])NC1CCC([NH+](CC)CC)CC1 ZINC001173106074 1384915820 /nfs/dbraw/zinc/91/58/20/1384915820.db2.gz GQONPRONVAQILM-UHFFFAOYSA-N 2 1 332.492 3.438 20 0 EGADMP CC[NH+](CC)C1CCC([N@@H+](CC(=O)OC)Cc2ccccc2)CC1 ZINC001173113680 1384917498 /nfs/dbraw/zinc/91/74/98/1384917498.db2.gz BPWYEFQDSSOWHZ-UHFFFAOYSA-N 2 1 332.488 3.315 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)CC1 ZINC001173113925 1384917966 /nfs/dbraw/zinc/91/79/66/1384917966.db2.gz PDXASEOLPHPVCP-ACBHZAAOSA-N 2 1 331.504 3.496 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)[C@H]2CCc3ncsc3C2)CC1 ZINC001173131669 1384920526 /nfs/dbraw/zinc/92/05/26/1384920526.db2.gz LQWOQLPBTODMHL-XIRDDKMYSA-N 2 1 342.512 3.168 20 0 EGADMP COc1cccc2c1C[C@H]([N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C)CO2 ZINC001173163380 1384928742 /nfs/dbraw/zinc/92/87/42/1384928742.db2.gz DHTLMGQLINWHCB-BZSNNMDCSA-N 2 1 344.499 3.338 20 0 EGADMP COc1cccc2c1C[C@H]([NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C)CO2 ZINC001173163380 1384928745 /nfs/dbraw/zinc/92/87/45/1384928745.db2.gz DHTLMGQLINWHCB-BZSNNMDCSA-N 2 1 344.499 3.338 20 0 EGADMP COc1cccc2c1C[C@H]([NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C)CO2 ZINC001173163380 1384928750 /nfs/dbraw/zinc/92/87/50/1384928750.db2.gz DHTLMGQLINWHCB-BZSNNMDCSA-N 2 1 344.499 3.338 20 0 EGADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CCO1 ZINC001173173162 1384931229 /nfs/dbraw/zinc/93/12/29/1384931229.db2.gz MBJBAGXMHXWRMT-WJRACZLCSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CCO1 ZINC001173173162 1384931231 /nfs/dbraw/zinc/93/12/31/1384931231.db2.gz MBJBAGXMHXWRMT-WJRACZLCSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CCO1 ZINC001173173162 1384931234 /nfs/dbraw/zinc/93/12/34/1384931234.db2.gz MBJBAGXMHXWRMT-WJRACZLCSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CCO1 ZINC001173173162 1384931237 /nfs/dbraw/zinc/93/12/37/1384931237.db2.gz MBJBAGXMHXWRMT-WJRACZLCSA-N 2 1 343.515 3.181 20 0 EGADMP CC[N@@H+]1CC[C@@H](NCC2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001173350197 1384963555 /nfs/dbraw/zinc/96/35/55/1384963555.db2.gz JCJJQGFQSVYOFS-JOCHJYFZSA-N 2 1 349.522 3.392 20 0 EGADMP CC[N@H+]1CC[C@@H](NCC2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001173350197 1384963558 /nfs/dbraw/zinc/96/35/58/1384963558.db2.gz JCJJQGFQSVYOFS-JOCHJYFZSA-N 2 1 349.522 3.392 20 0 EGADMP COC(=O)CCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001173435059 1384970170 /nfs/dbraw/zinc/97/01/70/1384970170.db2.gz JPEKBTSSKQHUDS-QGZVFWFLSA-N 2 1 332.488 3.363 20 0 EGADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C)CC2 ZINC001173614321 1384988523 /nfs/dbraw/zinc/98/85/23/1384988523.db2.gz SUGIQIQWKKLVDT-VJULDXEBSA-N 2 1 336.520 3.207 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001173713414 1385007138 /nfs/dbraw/zinc/00/71/38/1385007138.db2.gz ZBOLCWRQQHVJGO-FZDIXFNVSA-N 2 1 330.472 3.009 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001173713414 1385007141 /nfs/dbraw/zinc/00/71/41/1385007141.db2.gz ZBOLCWRQQHVJGO-FZDIXFNVSA-N 2 1 330.472 3.009 20 0 EGADMP C[N@H+]1CCc2ncc(NC3=CCC[NH+](Cc4ccccc4)C3)cc2C1 ZINC001174393082 1385104818 /nfs/dbraw/zinc/10/48/18/1385104818.db2.gz QNVNHKUSWUJQEI-UHFFFAOYSA-N 2 1 334.467 3.271 20 0 EGADMP C[NH+]1CCc2ncc(NC3=CCC[N@H+](Cc4ccccc4)C3)cc2C1 ZINC001174393082 1385104819 /nfs/dbraw/zinc/10/48/19/1385104819.db2.gz QNVNHKUSWUJQEI-UHFFFAOYSA-N 2 1 334.467 3.271 20 0 EGADMP C[NH+]1CCc2ncc(NC3=CCC[N@@H+](Cc4ccccc4)C3)cc2C1 ZINC001174393082 1385104820 /nfs/dbraw/zinc/10/48/20/1385104820.db2.gz QNVNHKUSWUJQEI-UHFFFAOYSA-N 2 1 334.467 3.271 20 0 EGADMP CC[C@H](C(=O)NCC[N@@H+](C)[C@@H](CC)c1ccc(Cl)cc1)[NH+](C)C ZINC001317449410 1385149533 /nfs/dbraw/zinc/14/95/33/1385149533.db2.gz PZIJFIPCEMLDDK-DLBZAZTESA-N 2 1 339.911 3.179 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NCC[N@@H+](C)CC2CCCCCC2)CC1 ZINC001317467984 1385161594 /nfs/dbraw/zinc/16/15/94/1385161594.db2.gz NNMKCFOKZIRSIL-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H]2CNC(=O)C[NH+](C)C2CCC2)c1 ZINC001317500865 1385202805 /nfs/dbraw/zinc/20/28/05/1385202805.db2.gz CPUILGDWMBPUJB-YLJYHZDGSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCC[C@@H]2CNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001317500865 1385202808 /nfs/dbraw/zinc/20/28/08/1385202808.db2.gz CPUILGDWMBPUJB-YLJYHZDGSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCC[C@@H]2CNC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001317500865 1385202813 /nfs/dbraw/zinc/20/28/13/1385202813.db2.gz CPUILGDWMBPUJB-YLJYHZDGSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@H]2CNC(=O)C[NH+](C)C2CCC2)c1 ZINC001317500864 1385202969 /nfs/dbraw/zinc/20/29/69/1385202969.db2.gz CPUILGDWMBPUJB-XLIONFOSSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCC[C@H]2CNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001317500864 1385202971 /nfs/dbraw/zinc/20/29/71/1385202971.db2.gz CPUILGDWMBPUJB-XLIONFOSSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCC[C@H]2CNC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001317500864 1385202973 /nfs/dbraw/zinc/20/29/73/1385202973.db2.gz CPUILGDWMBPUJB-XLIONFOSSA-N 2 1 343.515 3.121 20 0 EGADMP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175262706 1385233307 /nfs/dbraw/zinc/23/33/07/1385233307.db2.gz KDZHSRKYYRBXDF-SJORKVTESA-N 2 1 325.541 3.029 20 0 EGADMP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175264763 1385234790 /nfs/dbraw/zinc/23/47/90/1385234790.db2.gz VVZIACXBVXMYFY-IEBWSBKVSA-N 2 1 345.531 3.101 20 0 EGADMP C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175295095 1385241776 /nfs/dbraw/zinc/24/17/76/1385241776.db2.gz AGRHUSGCLUNZPU-KRWDZBQOSA-N 2 1 345.547 3.369 20 0 EGADMP C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175295553 1385242140 /nfs/dbraw/zinc/24/21/40/1385242140.db2.gz GUGFBFIPGDFUBB-SFHVURJKSA-N 2 1 347.547 3.429 20 0 EGADMP CC(C)[C@H](C(=O)NCC[N@@H+](CC1CCCCCC1)C1CC1)[NH+](C)C ZINC001317558225 1385331862 /nfs/dbraw/zinc/33/18/62/1385331862.db2.gz DWBWLDSFGDUISN-LJQANCHMSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001317636397 1385368023 /nfs/dbraw/zinc/36/80/23/1385368023.db2.gz NQXZGCZJHALAJC-APWZRJJASA-N 2 1 349.494 3.198 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)C1 ZINC001175703445 1385378224 /nfs/dbraw/zinc/37/82/24/1385378224.db2.gz BQBFVTJMKQSRJO-TVRKMHQQSA-N 2 1 348.535 3.282 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1 ZINC001175704229 1385378876 /nfs/dbraw/zinc/37/88/76/1385378876.db2.gz SRUXRDYUJRAWFB-QGZVFWFLSA-N 2 1 348.535 3.427 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C ZINC001176022581 1385463708 /nfs/dbraw/zinc/46/37/08/1385463708.db2.gz BWGUSQHJMSHATJ-SFHVURJKSA-N 2 1 333.520 3.101 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC ZINC001176112650 1385487623 /nfs/dbraw/zinc/48/76/23/1385487623.db2.gz XPZOZEKVNPVCHQ-MSOLQXFVSA-N 2 1 325.541 3.316 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]C(C)C)c1ccccc1 ZINC001176120244 1385489346 /nfs/dbraw/zinc/48/93/46/1385489346.db2.gz LTTHSPWSZGCEQR-IEBWSBKVSA-N 2 1 333.520 3.352 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[C@H]1CC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001317809585 1385506362 /nfs/dbraw/zinc/50/63/62/1385506362.db2.gz QBWQFHPNGZTPHK-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC001317809585 1385506367 /nfs/dbraw/zinc/50/63/67/1385506367.db2.gz QBWQFHPNGZTPHK-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001317809585 1385506371 /nfs/dbraw/zinc/50/63/71/1385506371.db2.gz QBWQFHPNGZTPHK-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001317875056 1385553903 /nfs/dbraw/zinc/55/39/03/1385553903.db2.gz BIMAEGVBBFCVFU-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001317875056 1385553905 /nfs/dbraw/zinc/55/39/05/1385553905.db2.gz BIMAEGVBBFCVFU-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001317875056 1385553908 /nfs/dbraw/zinc/55/39/08/1385553908.db2.gz BIMAEGVBBFCVFU-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1)[NH+](C)C ZINC001317944575 1385579602 /nfs/dbraw/zinc/57/96/02/1385579602.db2.gz MKZHLWBHLDJRTE-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CC[NH+](C)CC)C2)cc1 ZINC001317949319 1385581960 /nfs/dbraw/zinc/58/19/60/1385581960.db2.gz FUGUGAGNBJWDBI-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCCc1ccc(C[NH+]2CCC[C@@H](NC(=O)CC[N@H+](C)CC)C2)cc1 ZINC001317949319 1385581962 /nfs/dbraw/zinc/58/19/62/1385581962.db2.gz FUGUGAGNBJWDBI-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCCc1ccc(C[NH+]2CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001317949319 1385581964 /nfs/dbraw/zinc/58/19/64/1385581964.db2.gz FUGUGAGNBJWDBI-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001176564844 1385626484 /nfs/dbraw/zinc/62/64/84/1385626484.db2.gz RXVPNTYBYPXQDK-AZUAARDMSA-N 2 1 345.531 3.020 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176564029 1385626746 /nfs/dbraw/zinc/62/67/46/1385626746.db2.gz KDRUVLFDERBRPT-PKOBYXMFSA-N 2 1 337.552 3.173 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)C[NH2+]C(C)(C)C)C1CCCCC1 ZINC001318211504 1385629239 /nfs/dbraw/zinc/62/92/39/1385629239.db2.gz NPSBNTRSTYXNTB-UHFFFAOYSA-N 2 1 345.531 3.455 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001176760233 1385687214 /nfs/dbraw/zinc/68/72/14/1385687214.db2.gz RSVHRUZFPFWMOU-QGZVFWFLSA-N 2 1 325.541 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1C ZINC001176986839 1385764293 /nfs/dbraw/zinc/76/42/93/1385764293.db2.gz WYXLYBJRBFXKCA-IEBWSBKVSA-N 2 1 331.504 3.026 20 0 EGADMP CC1CC(C[NH2+]CCCN(CC2CCCC2)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001177267808 1385890399 /nfs/dbraw/zinc/89/03/99/1385890399.db2.gz YTLLAJFTSPTKHF-LYBXBRPPSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001177324029 1385914261 /nfs/dbraw/zinc/91/42/61/1385914261.db2.gz OGOMIIGVNKRAON-QGZVFWFLSA-N 2 1 348.535 3.415 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(CCC[NH2+]CCC1CC1)CC1CCCC1 ZINC001177415614 1385948455 /nfs/dbraw/zinc/94/84/55/1385948455.db2.gz FXUSQRHQGTZFGB-SFHVURJKSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(CCC[NH2+]CC[C@@H](C)F)CC1CCCC1 ZINC001177456010 1385962716 /nfs/dbraw/zinc/96/27/16/1385962716.db2.gz LZRPDWMLDBPKIW-QGZVFWFLSA-N 2 1 343.531 3.075 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(CCC[NH2+]C/C=C\Cl)CC1CCCC1 ZINC001177456381 1385963323 /nfs/dbraw/zinc/96/33/23/1385963323.db2.gz STEFFQDAYSLVAT-WDZFZDKYSA-N 2 1 343.943 3.079 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N(CCC[NH2+]CCC2CC2)CC2CCCC2)C1 ZINC001177467237 1385967412 /nfs/dbraw/zinc/96/74/12/1385967412.db2.gz XOPODZOTVPRBIS-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C(C)C)nc3sc(C)nn23)C1 ZINC001177483348 1385973571 /nfs/dbraw/zinc/97/35/71/1385973571.db2.gz OBISRAURRXMEMR-CQSZACIVSA-N 2 1 335.521 3.044 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(C(C)C)nc3sc(C)nn23)C1 ZINC001177483348 1385973573 /nfs/dbraw/zinc/97/35/73/1385973573.db2.gz OBISRAURRXMEMR-CQSZACIVSA-N 2 1 335.521 3.044 20 0 EGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)c1C ZINC001319288417 1386044901 /nfs/dbraw/zinc/04/49/01/1386044901.db2.gz AOPDMSNJWRRVQT-KFKAGJAMSA-N 2 1 331.504 3.483 20 0 EGADMP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2nc3ccccc3n2C)n1 ZINC001319389882 1386099431 /nfs/dbraw/zinc/09/94/31/1386099431.db2.gz PZKKPFGNLXDBPD-INIZCTEOSA-N 2 1 335.455 3.353 20 0 EGADMP Cc1cccc(NC[C@@H]2CCCN2Cc2nc3ccccc3n2C)n1 ZINC001319389882 1386099436 /nfs/dbraw/zinc/09/94/36/1386099436.db2.gz PZKKPFGNLXDBPD-INIZCTEOSA-N 2 1 335.455 3.353 20 0 EGADMP CC[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001178045638 1386115993 /nfs/dbraw/zinc/11/59/93/1386115993.db2.gz QLSYBJSEIGQTDA-WOJBJXKFSA-N 2 1 345.531 3.498 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCCC1 ZINC001698635140 1406279699 /nfs/dbraw/zinc/27/96/99/1406279699.db2.gz ZBEXMCWFKWVWFA-QZTJIDSGSA-N 2 1 337.552 3.029 20 0 EGADMP Cc1cccc(C[NH2+]CCCCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001178518694 1386240534 /nfs/dbraw/zinc/24/05/34/1386240534.db2.gz WJUUJPLCNOOEIS-UYAOXDASSA-N 2 1 345.531 3.101 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CC2CC3(CCC3)C2)CC[N@H+]1C ZINC001178522641 1386241212 /nfs/dbraw/zinc/24/12/12/1386241212.db2.gz NLUSWNKLWQXPBQ-IEBWSBKVSA-N 2 1 349.563 3.173 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001178693621 1386280670 /nfs/dbraw/zinc/28/06/70/1386280670.db2.gz XYODAZMDIILKPB-FQEVSTJZSA-N 2 1 349.563 3.460 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001178728723 1386290980 /nfs/dbraw/zinc/29/09/80/1386290980.db2.gz CBLXKNDPZKYTAO-ROUUACIJSA-N 2 1 325.541 3.173 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001178733300 1386292354 /nfs/dbraw/zinc/29/23/54/1386292354.db2.gz LZYGIYCVZPIXSX-GOSISDBHSA-N 2 1 325.541 3.317 20 0 EGADMP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178833265 1386322213 /nfs/dbraw/zinc/32/22/13/1386322213.db2.gz RLBDIFJKBONTIG-SFHVURJKSA-N 2 1 325.541 3.173 20 0 EGADMP CCC(CC)C[NH2+]CCCCCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001178853649 1386329772 /nfs/dbraw/zinc/32/97/72/1386329772.db2.gz MNFJUWKJWCOQHY-UHFFFAOYSA-N 2 1 327.557 3.419 20 0 EGADMP CCCCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001179234779 1386428266 /nfs/dbraw/zinc/42/82/66/1386428266.db2.gz ZMLZETHZCNXCAV-HKUYNNGSSA-N 2 1 337.552 3.410 20 0 EGADMP CCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001179361520 1386463294 /nfs/dbraw/zinc/46/32/94/1386463294.db2.gz ILBHTTYXGYHWNL-LJQANCHMSA-N 2 1 337.552 3.460 20 0 EGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCCCCC[NH2+]CCC(C)C)CC2 ZINC001179395404 1386474490 /nfs/dbraw/zinc/47/44/90/1386474490.db2.gz NAADGAMUIKCFKZ-SFHVURJKSA-N 2 1 348.535 3.066 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179409610 1386478738 /nfs/dbraw/zinc/47/87/38/1386478738.db2.gz OYMCOWDEJYFUEX-ZULIPRJHSA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+](C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCCC(C)(C)C)C2)CCC1 ZINC001320103433 1386514966 /nfs/dbraw/zinc/51/49/66/1386514966.db2.gz KMVURBYXAJEFBR-MSOLQXFVSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001179580829 1386522284 /nfs/dbraw/zinc/52/22/84/1386522284.db2.gz RRRYDXOQYRQHMC-QGZVFWFLSA-N 2 1 325.541 3.173 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCCCCCC[NH2+]CC2CC(C)(C)C2)C1 ZINC001179585298 1386523521 /nfs/dbraw/zinc/52/35/21/1386523521.db2.gz GTSTUOCNVNDHMW-KRWDZBQOSA-N 2 1 337.552 3.031 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001179587157 1386524378 /nfs/dbraw/zinc/52/43/78/1386524378.db2.gz WYZYWJRMKINZJI-SFHVURJKSA-N 2 1 348.535 3.210 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001179592547 1386526401 /nfs/dbraw/zinc/52/64/01/1386526401.db2.gz GWTLHOLITVUXHW-UHFFFAOYSA-N 2 1 327.557 3.277 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]C/C=C/Cl ZINC001179746267 1386570433 /nfs/dbraw/zinc/57/04/33/1386570433.db2.gz SJWZLBRIUOQFPG-KAMXEHQASA-N 2 1 343.943 3.268 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179788044 1386585973 /nfs/dbraw/zinc/58/59/73/1386585973.db2.gz KQKATWXMUAPMMS-RTBURBONSA-N 2 1 335.536 3.070 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)[C@@H]1C ZINC001179857102 1386609480 /nfs/dbraw/zinc/60/94/80/1386609480.db2.gz RXKIKJWUNAGISN-ICSRJNTNSA-N 2 1 345.531 3.033 20 0 EGADMP CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001179926441 1386633624 /nfs/dbraw/zinc/63/36/24/1386633624.db2.gz YMVRFFJUIRGUIU-FOIQADDNSA-N 2 1 331.479 3.340 20 0 EGADMP CN(C)c1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001179926441 1386633625 /nfs/dbraw/zinc/63/36/25/1386633625.db2.gz YMVRFFJUIRGUIU-FOIQADDNSA-N 2 1 331.479 3.340 20 0 EGADMP CN(C)c1ccc(F)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001179926441 1386633629 /nfs/dbraw/zinc/63/36/29/1386633629.db2.gz YMVRFFJUIRGUIU-FOIQADDNSA-N 2 1 331.479 3.340 20 0 EGADMP CN(C)c1ccc(F)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001179926441 1386633631 /nfs/dbraw/zinc/63/36/31/1386633631.db2.gz YMVRFFJUIRGUIU-FOIQADDNSA-N 2 1 331.479 3.340 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(CC)c2)[C@@H]1C ZINC001179976470 1386655068 /nfs/dbraw/zinc/65/50/68/1386655068.db2.gz OXEXGNWFFOYNII-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCC(C)CC2)[C@@H]1C ZINC001179978465 1386656569 /nfs/dbraw/zinc/65/65/69/1386656569.db2.gz BIAVQCQNTACIDC-JEVOJNTISA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccc(F)cc2)[C@@H]1C ZINC001179983056 1386658523 /nfs/dbraw/zinc/65/85/23/1386658523.db2.gz KAAHJLRQRKMZCI-IPELMVKDSA-N 2 1 349.494 3.198 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CC1 ZINC001180035700 1386676224 /nfs/dbraw/zinc/67/62/24/1386676224.db2.gz OVFNMQDZZSWYNC-IBGZPJMESA-N 2 1 337.552 3.317 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+][C@@H](C)c1ccccc1 ZINC001180369664 1386776505 /nfs/dbraw/zinc/77/65/05/1386776505.db2.gz RIEFHRWGWNKIOQ-SFHVURJKSA-N 2 1 333.520 3.354 20 0 EGADMP Cc1ccccc1C[NH2+]CCCCCCNC(=O)C[N@H+](C)C(C)C ZINC001180369761 1386776983 /nfs/dbraw/zinc/77/69/83/1386776983.db2.gz WDDGPVRWGPHDKE-UHFFFAOYSA-N 2 1 333.520 3.101 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+]CCCc1ccccc1 ZINC001180369785 1386777017 /nfs/dbraw/zinc/77/70/17/1386777017.db2.gz XLYSWQUJONSVJU-UHFFFAOYSA-N 2 1 347.547 3.226 20 0 EGADMP Cc1ccc(CC[NH2+]CCCCCCNC(=O)C[N@H+](C)C(C)C)cc1 ZINC001180369691 1386777188 /nfs/dbraw/zinc/77/71/88/1386777188.db2.gz SFYSDLQXKWIIOE-UHFFFAOYSA-N 2 1 347.547 3.144 20 0 EGADMP CCCC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001181516858 1387008549 /nfs/dbraw/zinc/00/85/49/1387008549.db2.gz AQGROIFSHWTZJO-MBOZVWFJSA-N 2 1 348.535 3.271 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C(=O)Nc1cccnc1C[NH3+])c1ccccc1 ZINC001182235743 1387129173 /nfs/dbraw/zinc/12/91/73/1387129173.db2.gz JIBITLDDKMRRML-LJQANCHMSA-N 2 1 340.471 3.342 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001182614769 1387197050 /nfs/dbraw/zinc/19/70/50/1387197050.db2.gz QHYFUTGLFSFZSV-LVCYWYKZSA-N 2 1 347.547 3.045 20 0 EGADMP Cc1cc2ncn(C[N@@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)c2cc1C ZINC001336078845 1389008451 /nfs/dbraw/zinc/00/84/51/1389008451.db2.gz PLEVCWIOGLHJLZ-RCCFBDPRSA-N 2 1 326.488 3.273 20 0 EGADMP CC(C)([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC001336775705 1389165626 /nfs/dbraw/zinc/16/56/26/1389165626.db2.gz OZRZSRWBWRUWPB-IBGZPJMESA-N 2 1 330.497 3.210 20 0 EGADMP CC(C)([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC001336775705 1389165630 /nfs/dbraw/zinc/16/56/30/1389165630.db2.gz OZRZSRWBWRUWPB-IBGZPJMESA-N 2 1 330.497 3.210 20 0 EGADMP Cc1cccc(C[N@@H+]2CCCCC[C@@H]2CNC(=O)CCC[NH+](C)C)c1 ZINC001329939419 1389267879 /nfs/dbraw/zinc/26/78/79/1389267879.db2.gz UDXFTYZMIWRLCG-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC001338004585 1389513439 /nfs/dbraw/zinc/51/34/39/1389513439.db2.gz TUPCZTYDQZYKPV-FQEVSTJZSA-N 2 1 345.531 3.409 20 0 EGADMP Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C2)c1 ZINC001332031242 1389952833 /nfs/dbraw/zinc/95/28/33/1389952833.db2.gz WULBNCPQBJIHGE-IEBWSBKVSA-N 2 1 345.531 3.052 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2C)[C@@H]1C ZINC001332220465 1390052570 /nfs/dbraw/zinc/05/25/70/1390052570.db2.gz UDEKPFDDGPUVJD-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C)[C@@H]1C ZINC001332220465 1390052576 /nfs/dbraw/zinc/05/25/76/1390052576.db2.gz UDEKPFDDGPUVJD-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C)[C@@H]1C ZINC001332220465 1390052580 /nfs/dbraw/zinc/05/25/80/1390052580.db2.gz UDEKPFDDGPUVJD-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC001340032216 1390211479 /nfs/dbraw/zinc/21/14/79/1390211479.db2.gz BZGGJRBUNWLRQW-QKLQHJQFSA-N 2 1 343.515 3.195 20 0 EGADMP CC(C)C[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001340105963 1390227394 /nfs/dbraw/zinc/22/73/94/1390227394.db2.gz PZIMCJWHKNVGNL-RLFYNMQTSA-N 2 1 337.533 3.011 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCSCCC[NH3+])cc1 ZINC001340153497 1390238180 /nfs/dbraw/zinc/23/81/80/1390238180.db2.gz BWNZQZXHJBFXIX-INIZCTEOSA-N 2 1 349.544 3.472 20 0 EGADMP Cc1cc(F)ncc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001333668799 1390369481 /nfs/dbraw/zinc/36/94/81/1390369481.db2.gz RXALZWZCTVVTCT-SFHVURJKSA-N 2 1 327.447 3.183 20 0 EGADMP Cc1cc(F)ncc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001333668799 1390369485 /nfs/dbraw/zinc/36/94/85/1390369485.db2.gz RXALZWZCTVVTCT-SFHVURJKSA-N 2 1 327.447 3.183 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCN(c4ccccc4)C3)C[C@@H]2C1 ZINC001333841087 1390420113 /nfs/dbraw/zinc/42/01/13/1390420113.db2.gz KGFFVTWZNKHWBO-WERVVEIQSA-N 2 1 327.516 3.175 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(O[C@H]4CCOC4)cc3)C[C@H]2C1 ZINC001333891395 1390431577 /nfs/dbraw/zinc/43/15/77/1390431577.db2.gz LRVURQFIGSUEFY-XCJLJZCSSA-N 2 1 344.499 3.016 20 0 EGADMP CC(=O)OC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001335071953 1390638589 /nfs/dbraw/zinc/63/85/89/1390638589.db2.gz IZZDQIWLJYAQMZ-MIJOPJBOSA-N 2 1 330.472 3.113 20 0 EGADMP C[C@@H]1C[C@H](C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]1 ZINC001343371312 1390709759 /nfs/dbraw/zinc/70/97/59/1390709759.db2.gz HYRGAEYSTOSDFR-SOLBZPMBSA-N 2 1 329.488 3.388 20 0 EGADMP O[C@@H](C[NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccc(F)cc1F ZINC001346124077 1390909273 /nfs/dbraw/zinc/90/92/73/1390909273.db2.gz ZHHHPXNLASFHSA-IBGZPJMESA-N 2 1 338.442 3.242 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2N2CCCC2)CC[C@H]1C(F)(F)F ZINC001348446642 1391221039 /nfs/dbraw/zinc/22/10/39/1391221039.db2.gz IXDPUISDIDLINF-JKSUJKDBSA-N 2 1 341.421 3.246 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2N2CCCC2)CC[C@H]1C(F)(F)F ZINC001348446642 1391221042 /nfs/dbraw/zinc/22/10/42/1391221042.db2.gz IXDPUISDIDLINF-JKSUJKDBSA-N 2 1 341.421 3.246 20 0 EGADMP Cc1cc(NC(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cc(C)[nH+]1 ZINC001348901153 1391281838 /nfs/dbraw/zinc/28/18/38/1391281838.db2.gz FUPSJPKAHBELKP-LPHOPBHVSA-N 2 1 344.503 3.272 20 0 EGADMP c1cn(CCCC[NH2+]C2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)cn1 ZINC001350927623 1391560847 /nfs/dbraw/zinc/56/08/47/1391560847.db2.gz VVTQEYORJZTZGX-WCRBZPEASA-N 3 1 338.499 3.164 20 0 EGADMP c1cn(CCCC[NH2+]C2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)cn1 ZINC001350927623 1391560849 /nfs/dbraw/zinc/56/08/49/1391560849.db2.gz VVTQEYORJZTZGX-WCRBZPEASA-N 3 1 338.499 3.164 20 0 EGADMP C[C@@H](CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[NH+]1CCCCC1 ZINC001353556315 1392038849 /nfs/dbraw/zinc/03/88/49/1392038849.db2.gz RURHMCVBAGBJMZ-PXNSSMCTSA-N 2 1 343.515 3.100 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001480265961 1392650054 /nfs/dbraw/zinc/65/00/54/1392650054.db2.gz TUTBQUNNFBGRCR-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001480265961 1392650055 /nfs/dbraw/zinc/65/00/55/1392650055.db2.gz TUTBQUNNFBGRCR-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001480265961 1392650056 /nfs/dbraw/zinc/65/00/56/1392650056.db2.gz TUTBQUNNFBGRCR-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)Cc1ccc(C)cc1 ZINC001480985449 1393068786 /nfs/dbraw/zinc/06/87/86/1393068786.db2.gz MVUVVJCIZKHZOL-HXUWFJFHSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)Cc1ccc(C)cc1 ZINC001480985449 1393068787 /nfs/dbraw/zinc/06/87/87/1393068787.db2.gz MVUVVJCIZKHZOL-HXUWFJFHSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C)Cc1ccc(C)cc1 ZINC001480985449 1393068792 /nfs/dbraw/zinc/06/87/92/1393068792.db2.gz MVUVVJCIZKHZOL-HXUWFJFHSA-N 2 1 345.531 3.054 20 0 EGADMP C[NH+]1CCC(C(=O)NCC[N@@H+](CC2CCC(C)(C)CC2)C2CC2)CC1 ZINC001481182380 1393143941 /nfs/dbraw/zinc/14/39/41/1393143941.db2.gz CAECDYPHHPCMGE-UHFFFAOYSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1cccc(F)c1 ZINC001481287824 1393158820 /nfs/dbraw/zinc/15/88/20/1393158820.db2.gz ORKVBVRYOZGMMM-APWZRJJASA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001481539370 1394401158 /nfs/dbraw/zinc/40/11/58/1394401158.db2.gz FDLZEEFXYHNBOR-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001491110061 1394431016 /nfs/dbraw/zinc/43/10/16/1394431016.db2.gz CQDMLNPQNGMVBA-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(CC)[C@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001481778723 1394523584 /nfs/dbraw/zinc/52/35/84/1394523584.db2.gz NQQYTDJOUISNMS-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001481778723 1394523586 /nfs/dbraw/zinc/52/35/86/1394523586.db2.gz NQQYTDJOUISNMS-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001481778723 1394523589 /nfs/dbraw/zinc/52/35/89/1394523589.db2.gz NQQYTDJOUISNMS-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCC1 ZINC001482226940 1394820752 /nfs/dbraw/zinc/82/07/52/1394820752.db2.gz BBDVKLRDNGZYNY-ROUUACIJSA-N 2 1 337.552 3.172 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NC2(C)CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001483970703 1395169262 /nfs/dbraw/zinc/16/92/62/1395169262.db2.gz IQTZTWRRSMMCKR-SFHVURJKSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+](CC(=O)N[C@]1(C)CC[NH+](CC2CCCCCC2)C1)C1CCC1 ZINC001484049046 1395212999 /nfs/dbraw/zinc/21/29/99/1395212999.db2.gz YSKTWHUCXJMSGO-HXUWFJFHSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@]1(C)CC[N@H+](CC2CCCCCC2)C1)C1CCC1 ZINC001484049046 1395213002 /nfs/dbraw/zinc/21/30/02/1395213002.db2.gz YSKTWHUCXJMSGO-HXUWFJFHSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N[C@]1(C)CC[N@@H+](CC2CCCCCC2)C1)C1CCC1 ZINC001484049046 1395213008 /nfs/dbraw/zinc/21/30/08/1395213008.db2.gz YSKTWHUCXJMSGO-HXUWFJFHSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC2CCC2)CC1 ZINC001484138313 1395274664 /nfs/dbraw/zinc/27/46/64/1395274664.db2.gz XKTVYVJBIBBMAL-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@]1(C)CCC[N@H+](CC2CCC2)C1 ZINC001484170490 1395309778 /nfs/dbraw/zinc/30/97/78/1395309778.db2.gz ROLUQBIQJOCJRM-HXUWFJFHSA-N 2 1 346.519 3.025 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@]1(C)CCC[N@@H+](CC2CCC2)C1 ZINC001484170490 1395309783 /nfs/dbraw/zinc/30/97/83/1395309783.db2.gz ROLUQBIQJOCJRM-HXUWFJFHSA-N 2 1 346.519 3.025 20 0 EGADMP CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)C2 ZINC001484391545 1395361523 /nfs/dbraw/zinc/36/15/23/1395361523.db2.gz PEVIQWDUSUJRLA-REPLKXPHSA-N 2 1 335.536 3.022 20 0 EGADMP CCc1ccccc1C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001484981452 1395621172 /nfs/dbraw/zinc/62/11/72/1395621172.db2.gz OBFACZAWNHSYIX-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001484981452 1395621177 /nfs/dbraw/zinc/62/11/77/1395621177.db2.gz OBFACZAWNHSYIX-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001484981452 1395621180 /nfs/dbraw/zinc/62/11/80/1395621180.db2.gz OBFACZAWNHSYIX-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP Cc1c(C(=O)N(C)CC[N@@H+](C)CCCC2CCC2)ccc2c[nH+]cn21 ZINC001698991748 1406782908 /nfs/dbraw/zinc/78/29/08/1406782908.db2.gz ZYHMERVBYLWZCZ-UHFFFAOYSA-N 2 1 342.487 3.227 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001485509041 1395988466 /nfs/dbraw/zinc/98/84/66/1395988466.db2.gz KWDHTFIZLVMJPI-OXJNMPFZSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@H](c1ccccc1F)[N@@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001485763939 1396139663 /nfs/dbraw/zinc/13/96/63/1396139663.db2.gz XXTXSVXURULCLA-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001486089380 1396176560 /nfs/dbraw/zinc/17/65/60/1396176560.db2.gz RNKZACYIOJXACZ-DOTOQJQBSA-N 2 1 334.508 3.022 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001505410700 1396294640 /nfs/dbraw/zinc/29/46/40/1396294640.db2.gz QEZWOIONTBOIRU-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1c(C)cccc1C ZINC001699033464 1406872331 /nfs/dbraw/zinc/87/23/31/1406872331.db2.gz AOBMMNADQXCCPE-ICSRJNTNSA-N 2 1 345.531 3.020 20 0 EGADMP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001690505125 1404617538 /nfs/dbraw/zinc/61/75/38/1404617538.db2.gz OCOYMJMTMMJLNI-ICSRJNTNSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001690606394 1404649415 /nfs/dbraw/zinc/64/94/15/1404649415.db2.gz MEKORFVQUDNLPC-MSOLQXFVSA-N 2 1 345.531 3.497 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001690752159 1404709247 /nfs/dbraw/zinc/70/92/47/1404709247.db2.gz ZNIOQCCLHCIMIA-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)c1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001725174253 1425687816 /nfs/dbraw/zinc/68/78/16/1425687816.db2.gz SQIIEERBDMJGTI-PXNSSMCTSA-N 2 1 347.547 3.333 20 0 EGADMP C[C@H](c1ccccc1F)[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001690981852 1404894593 /nfs/dbraw/zinc/89/45/93/1404894593.db2.gz HOULPMDTEKATIU-SJORKVTESA-N 2 1 349.494 3.199 20 0 EGADMP C[C@H](c1ccccc1F)[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001690981852 1404894600 /nfs/dbraw/zinc/89/46/00/1404894600.db2.gz HOULPMDTEKATIU-SJORKVTESA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CC1CCC(C)(C)CC1 ZINC001691102857 1405042812 /nfs/dbraw/zinc/04/28/12/1405042812.db2.gz QJKANIHWKYGWPV-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001691102857 1405042814 /nfs/dbraw/zinc/04/28/14/1405042814.db2.gz QJKANIHWKYGWPV-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1CC1CCC(C)(C)CC1 ZINC001691102857 1405042817 /nfs/dbraw/zinc/04/28/17/1405042817.db2.gz QJKANIHWKYGWPV-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](CC1CCCCCC1)C1CC1 ZINC001691215176 1405155197 /nfs/dbraw/zinc/15/51/97/1405155197.db2.gz IFLRJBFKAYQCBN-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](CC1CCCCCC1)C1CC1 ZINC001691215176 1405155199 /nfs/dbraw/zinc/15/51/99/1405155199.db2.gz IFLRJBFKAYQCBN-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](CC1CCCCCC1)C1CC1 ZINC001691215176 1405155203 /nfs/dbraw/zinc/15/52/03/1405155203.db2.gz IFLRJBFKAYQCBN-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@H](C[N@@H+](C)CCCC2CCCC2)C1)C1CCC1 ZINC001691966031 1405683243 /nfs/dbraw/zinc/68/32/43/1405683243.db2.gz YOKPZZWPJMWAKG-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001691966031 1405683247 /nfs/dbraw/zinc/68/32/47/1405683247.db2.gz YOKPZZWPJMWAKG-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001691966031 1405683255 /nfs/dbraw/zinc/68/32/55/1405683255.db2.gz YOKPZZWPJMWAKG-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)CC2CCCCCC2)C1 ZINC001691989559 1405702279 /nfs/dbraw/zinc/70/22/79/1405702279.db2.gz JMZBMENMUWSBEU-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCCC2)C1 ZINC001691989559 1405702280 /nfs/dbraw/zinc/70/22/80/1405702280.db2.gz JMZBMENMUWSBEU-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCCC2)C1 ZINC001691989559 1405702283 /nfs/dbraw/zinc/70/22/83/1405702283.db2.gz JMZBMENMUWSBEU-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001692114132 1405778244 /nfs/dbraw/zinc/77/82/44/1405778244.db2.gz IWRMLCOWEBQHSH-BBIZLLLXSA-N 2 1 343.515 3.055 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001692114132 1405778247 /nfs/dbraw/zinc/77/82/47/1405778247.db2.gz IWRMLCOWEBQHSH-BBIZLLLXSA-N 2 1 343.515 3.055 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001692114132 1405778252 /nfs/dbraw/zinc/77/82/52/1405778252.db2.gz IWRMLCOWEBQHSH-BBIZLLLXSA-N 2 1 343.515 3.055 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001692114132 1405778255 /nfs/dbraw/zinc/77/82/55/1405778255.db2.gz IWRMLCOWEBQHSH-BBIZLLLXSA-N 2 1 343.515 3.055 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001698551455 1406149392 /nfs/dbraw/zinc/14/93/92/1406149392.db2.gz PMDCGWHLFWIASH-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@H]1CC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001732059003 1428305779 /nfs/dbraw/zinc/30/57/79/1428305779.db2.gz KYBYUWWDWRVSEP-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC001732059003 1428305780 /nfs/dbraw/zinc/30/57/80/1428305780.db2.gz KYBYUWWDWRVSEP-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001732059003 1428305784 /nfs/dbraw/zinc/30/57/84/1428305784.db2.gz KYBYUWWDWRVSEP-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001732072642 1428321290 /nfs/dbraw/zinc/32/12/90/1428321290.db2.gz KMKJCOIXSLDFEI-HNNXBMFYSA-N 2 1 337.533 3.004 20 0 EGADMP C[N@@H+](CCCC1CCCC1)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001732079556 1428332208 /nfs/dbraw/zinc/33/22/08/1428332208.db2.gz KTDDLVVASAQJID-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001732079556 1428332209 /nfs/dbraw/zinc/33/22/09/1428332209.db2.gz KTDDLVVASAQJID-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCCC1)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001732079556 1428332212 /nfs/dbraw/zinc/33/22/12/1428332212.db2.gz KTDDLVVASAQJID-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001732086854 1428348006 /nfs/dbraw/zinc/34/80/06/1428348006.db2.gz HKNSEAFLPXALBY-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001732086854 1428348007 /nfs/dbraw/zinc/34/80/07/1428348007.db2.gz HKNSEAFLPXALBY-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001732086854 1428348012 /nfs/dbraw/zinc/34/80/12/1428348012.db2.gz HKNSEAFLPXALBY-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001732152503 1428396696 /nfs/dbraw/zinc/39/66/96/1428396696.db2.gz XOCHPNHXFOOIFN-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001732152503 1428396698 /nfs/dbraw/zinc/39/66/98/1428396698.db2.gz XOCHPNHXFOOIFN-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001732152503 1428396703 /nfs/dbraw/zinc/39/67/03/1428396703.db2.gz XOCHPNHXFOOIFN-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CC1)C1CCCCC1 ZINC001699482170 1412876995 /nfs/dbraw/zinc/87/69/95/1412876995.db2.gz PLAKSTDQNSUMQQ-ICSRJNTNSA-N 2 1 349.563 3.316 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001699487912 1412884352 /nfs/dbraw/zinc/88/43/52/1412884352.db2.gz WGZBUNQVMAKXEW-RBUKOAKNSA-N 2 1 346.519 3.036 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001699856285 1413287646 /nfs/dbraw/zinc/28/76/46/1413287646.db2.gz WNTAWQNYGNPHHN-WIYYLYMNSA-N 2 1 343.515 3.060 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001699870793 1413317303 /nfs/dbraw/zinc/31/73/03/1413317303.db2.gz BJQCLENKHAOKSZ-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001700190333 1413618252 /nfs/dbraw/zinc/61/82/52/1413618252.db2.gz AGGCPLNPHQCREE-GOSISDBHSA-N 2 1 345.531 3.321 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001700203517 1413648516 /nfs/dbraw/zinc/64/85/16/1413648516.db2.gz RVXLQWPQOMAEIY-RBUKOAKNSA-N 2 1 345.531 3.369 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2C)CC1 ZINC001700203517 1413648519 /nfs/dbraw/zinc/64/85/19/1413648519.db2.gz RVXLQWPQOMAEIY-RBUKOAKNSA-N 2 1 345.531 3.369 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2C)CC1 ZINC001700203517 1413648523 /nfs/dbraw/zinc/64/85/23/1413648523.db2.gz RVXLQWPQOMAEIY-RBUKOAKNSA-N 2 1 345.531 3.369 20 0 EGADMP CCCCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001700329377 1413804211 /nfs/dbraw/zinc/80/42/11/1413804211.db2.gz NKSKALKXPVBCBX-WOJBJXKFSA-N 2 1 345.531 3.232 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)[C@@H](C)c1ccccc1 ZINC001700363391 1413882790 /nfs/dbraw/zinc/88/27/90/1413882790.db2.gz JOSBUCXAINUZJQ-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)[C@@H](C)c1ccccc1 ZINC001700363391 1413882794 /nfs/dbraw/zinc/88/27/94/1413882794.db2.gz JOSBUCXAINUZJQ-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001700363391 1413882798 /nfs/dbraw/zinc/88/27/98/1413882798.db2.gz JOSBUCXAINUZJQ-HKUYNNGSSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+](C)C/C=C\c1ccccc1 ZINC001700473509 1414096339 /nfs/dbraw/zinc/09/63/39/1414096339.db2.gz FFWXPRCKIFCQEY-GFBZKKKVSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@H+](C)C/C=C\c1ccccc1 ZINC001700473509 1414096348 /nfs/dbraw/zinc/09/63/48/1414096348.db2.gz FFWXPRCKIFCQEY-GFBZKKKVSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@@H+](C)C/C=C\c1ccccc1 ZINC001700473509 1414096352 /nfs/dbraw/zinc/09/63/52/1414096352.db2.gz FFWXPRCKIFCQEY-GFBZKKKVSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)[C@H]1C ZINC001700826741 1414482224 /nfs/dbraw/zinc/48/22/24/1414482224.db2.gz UAQYIIZHHFVVIF-QUCCMNQESA-N 2 1 345.531 3.033 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001700903660 1414558908 /nfs/dbraw/zinc/55/89/08/1414558908.db2.gz IWXHWABYLJQVJX-RBUKOAKNSA-N 2 1 345.531 3.039 20 0 EGADMP CCC(CC)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001707088163 1417194780 /nfs/dbraw/zinc/19/47/80/1417194780.db2.gz FCBFQSWVQCGDBO-FHWLQOOXSA-N 2 1 337.552 3.170 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001713269119 1417878370 /nfs/dbraw/zinc/87/83/70/1417878370.db2.gz VDVDAXLKIQJIOO-LPHOPBHVSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001713355866 1417972714 /nfs/dbraw/zinc/97/27/14/1417972714.db2.gz QXKUTESMIAOXFY-ZWKOTPCHSA-N 2 1 348.535 3.127 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001713377574 1417987619 /nfs/dbraw/zinc/98/76/19/1417987619.db2.gz SKYYQVFBUPJDKT-RTBURBONSA-N 2 1 349.563 3.458 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001713467197 1418131017 /nfs/dbraw/zinc/13/10/17/1418131017.db2.gz COAMGTDWPOAPIP-QGZVFWFLSA-N 2 1 333.520 3.082 20 0 EGADMP Cc1cccc([C@@H](C)[NH+](C)CCNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001713467197 1418131020 /nfs/dbraw/zinc/13/10/20/1418131020.db2.gz COAMGTDWPOAPIP-QGZVFWFLSA-N 2 1 333.520 3.082 20 0 EGADMP Cc1cccc([C@@H](C)[NH+](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001713467197 1418131022 /nfs/dbraw/zinc/13/10/22/1418131022.db2.gz COAMGTDWPOAPIP-QGZVFWFLSA-N 2 1 333.520 3.082 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001713757755 1418562546 /nfs/dbraw/zinc/56/25/46/1418562546.db2.gz LJIJXIDEHPNDDP-SJORKVTESA-N 2 1 349.494 3.009 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001713757755 1418562548 /nfs/dbraw/zinc/56/25/48/1418562548.db2.gz LJIJXIDEHPNDDP-SJORKVTESA-N 2 1 349.494 3.009 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001713757755 1418562550 /nfs/dbraw/zinc/56/25/50/1418562550.db2.gz LJIJXIDEHPNDDP-SJORKVTESA-N 2 1 349.494 3.009 20 0 EGADMP CC[C@@H](C(=O)N1CCC(C[N@@H+](C)CCCC(C)(C)C)CC1)[NH+](C)C ZINC001713766067 1418579583 /nfs/dbraw/zinc/57/95/83/1418579583.db2.gz LFGDULTZNSCASY-SFHVURJKSA-N 2 1 339.568 3.323 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001713835404 1418633132 /nfs/dbraw/zinc/63/31/32/1418633132.db2.gz VOCOJWVZHQOUNX-YLJYHZDGSA-N 2 1 345.531 3.403 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001713835404 1418633137 /nfs/dbraw/zinc/63/31/37/1418633137.db2.gz VOCOJWVZHQOUNX-YLJYHZDGSA-N 2 1 345.531 3.403 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001713835404 1418633142 /nfs/dbraw/zinc/63/31/42/1418633142.db2.gz VOCOJWVZHQOUNX-YLJYHZDGSA-N 2 1 345.531 3.403 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001713838544 1418636502 /nfs/dbraw/zinc/63/65/02/1418636502.db2.gz PNZOCGLBLUTSFI-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001713896844 1418694730 /nfs/dbraw/zinc/69/47/30/1418694730.db2.gz LAGXONHWDNPIII-IBGZPJMESA-N 2 1 345.531 3.332 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001713897199 1418695832 /nfs/dbraw/zinc/69/58/32/1418695832.db2.gz HWUGMLKMPRPSDX-RTBURBONSA-N 2 1 345.531 3.260 20 0 EGADMP CN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001714004391 1418783816 /nfs/dbraw/zinc/78/38/16/1418783816.db2.gz RMBOGEARAVPURH-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)C[N@H+](C)C1CCC1)[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001714004391 1418783818 /nfs/dbraw/zinc/78/38/18/1418783818.db2.gz RMBOGEARAVPURH-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)C[N@@H+](C)C1CCC1)[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001714004391 1418783821 /nfs/dbraw/zinc/78/38/21/1418783821.db2.gz RMBOGEARAVPURH-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001714085933 1418879677 /nfs/dbraw/zinc/87/96/77/1418879677.db2.gz FQDLBVCMKFEFCI-IRXDYDNUSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+](C)CC2CCCCCC2)C1 ZINC001714556530 1419284280 /nfs/dbraw/zinc/28/42/80/1419284280.db2.gz QNBSTNGEGYCQGF-IBGZPJMESA-N 2 1 337.552 3.127 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@H+](C)CC2CCCCCC2)C1 ZINC001714556530 1419284283 /nfs/dbraw/zinc/28/42/83/1419284283.db2.gz QNBSTNGEGYCQGF-IBGZPJMESA-N 2 1 337.552 3.127 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@@H+](C)CC2CCCCCC2)C1 ZINC001714556530 1419284286 /nfs/dbraw/zinc/28/42/86/1419284286.db2.gz QNBSTNGEGYCQGF-IBGZPJMESA-N 2 1 337.552 3.127 20 0 EGADMP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001714863702 1419589045 /nfs/dbraw/zinc/58/90/45/1419589045.db2.gz VERSXDUVTKBPLT-ROUUACIJSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@H](C(=O)NC1C[NH+](CCC2CCCCCC2)C1)[NH+](CC)CC ZINC001714948173 1419690261 /nfs/dbraw/zinc/69/02/61/1419690261.db2.gz WQHXYPCJKIKLEC-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001715044310 1419784612 /nfs/dbraw/zinc/78/46/12/1419784612.db2.gz OKNMPIHLSVIZGU-RTBURBONSA-N 2 1 345.531 3.321 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H]2CNC(=O)CCC[NH+]2CCCCC2)cs1 ZINC001733238329 1429380239 /nfs/dbraw/zinc/38/02/39/1429380239.db2.gz SPVAWCHLWNCZBL-SFHVURJKSA-N 2 1 349.544 3.013 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H]2CNC(=O)CCC[NH+]2CCCCC2)cs1 ZINC001733238329 1429380245 /nfs/dbraw/zinc/38/02/45/1429380245.db2.gz SPVAWCHLWNCZBL-SFHVURJKSA-N 2 1 349.544 3.013 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C[NH2+]CC1CCCCC1 ZINC001715233103 1419964839 /nfs/dbraw/zinc/96/48/39/1419964839.db2.gz HXSNCMVRDWSELA-FXAWDEMLSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCCC1 ZINC001715237997 1419968621 /nfs/dbraw/zinc/96/86/21/1419968621.db2.gz DAGKCMFMKNZLIM-PKOBYXMFSA-N 2 1 337.552 3.029 20 0 EGADMP CCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001715497332 1420179070 /nfs/dbraw/zinc/17/90/70/1420179070.db2.gz DMIMXHSXSLCKLM-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001715497332 1420179072 /nfs/dbraw/zinc/17/90/72/1420179072.db2.gz DMIMXHSXSLCKLM-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001715497332 1420179073 /nfs/dbraw/zinc/17/90/73/1420179073.db2.gz DMIMXHSXSLCKLM-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001715990095 1420446026 /nfs/dbraw/zinc/44/60/26/1420446026.db2.gz PXRQTFPDBPDZFE-TXPKVOOTSA-N 2 1 345.531 3.234 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001716040953 1420502459 /nfs/dbraw/zinc/50/24/59/1420502459.db2.gz KIHQFRPWIKNZFB-XLIONFOSSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H](C[N@@H+](C)Cc1cccc(F)c1)NC(=O)CCC[NH+]1CCCCC1 ZINC001716505186 1420736163 /nfs/dbraw/zinc/73/61/63/1420736163.db2.gz BNVZCGCYDWQLIV-QGZVFWFLSA-N 2 1 349.494 3.028 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1(C)CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001716799268 1420932205 /nfs/dbraw/zinc/93/22/05/1420932205.db2.gz BNGCKADKJCTUCK-KRWDZBQOSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001716853620 1420984983 /nfs/dbraw/zinc/98/49/83/1420984983.db2.gz FHGGVEQICRLKMC-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001716880530 1421004803 /nfs/dbraw/zinc/00/48/03/1421004803.db2.gz OTGMHKRCBBUPFJ-UZLBHIALSA-N 2 1 349.494 3.057 20 0 EGADMP Cc1cccc(C[N@H+](C)CCCN(C)C(=O)CC2CC[NH+](C)CC2)c1 ZINC001717212276 1421187176 /nfs/dbraw/zinc/18/71/76/1421187176.db2.gz BKTMKDSACMABJH-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001717217079 1421195427 /nfs/dbraw/zinc/19/54/27/1421195427.db2.gz OIYVKPWQVJSTOX-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCC1CCC1)C2 ZINC001733287725 1429463700 /nfs/dbraw/zinc/46/37/00/1429463700.db2.gz GHMJXQBTKUTYOV-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)[N@H+]1Cc2ccc(CNC(=O)C[NH+](C)CC(C)(C)C)cc2C1 ZINC001717271039 1421228677 /nfs/dbraw/zinc/22/86/77/1421228677.db2.gz VGIXZCCDLRJWCS-UHFFFAOYSA-N 2 1 331.504 3.005 20 0 EGADMP CC(C)[NH+]1Cc2ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)cc2C1 ZINC001717271039 1421228678 /nfs/dbraw/zinc/22/86/78/1421228678.db2.gz VGIXZCCDLRJWCS-UHFFFAOYSA-N 2 1 331.504 3.005 20 0 EGADMP CC(C)[NH+]1Cc2ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)cc2C1 ZINC001717271039 1421228679 /nfs/dbraw/zinc/22/86/79/1421228679.db2.gz VGIXZCCDLRJWCS-UHFFFAOYSA-N 2 1 331.504 3.005 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001717371312 1421310562 /nfs/dbraw/zinc/31/05/62/1421310562.db2.gz OBSVZLZJIYOMRG-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CC3CCCCCC3)C2)C1 ZINC001733296004 1429477357 /nfs/dbraw/zinc/47/73/57/1429477357.db2.gz CHQJEENJDXRLRI-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@]2(CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001733296004 1429477360 /nfs/dbraw/zinc/47/73/60/1429477360.db2.gz CHQJEENJDXRLRI-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@]2(CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001733296004 1429477364 /nfs/dbraw/zinc/47/73/64/1429477364.db2.gz CHQJEENJDXRLRI-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001717485315 1421421488 /nfs/dbraw/zinc/42/14/88/1421421488.db2.gz JVRCIPDDRDZSGZ-IRXDYDNUSA-N 2 1 345.531 3.015 20 0 EGADMP Cc1cccc([C@H](C)[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001717487701 1421424687 /nfs/dbraw/zinc/42/46/87/1421424687.db2.gz LDHNZQAQGGWVDA-ROUUACIJSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001717487701 1421424688 /nfs/dbraw/zinc/42/46/88/1421424688.db2.gz LDHNZQAQGGWVDA-ROUUACIJSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001717487701 1421424689 /nfs/dbraw/zinc/42/46/89/1421424689.db2.gz LDHNZQAQGGWVDA-ROUUACIJSA-N 2 1 347.547 3.470 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@H]2CCCCC[N@H+]2CC2CCCCC2)CCC1 ZINC001717537562 1421475623 /nfs/dbraw/zinc/47/56/23/1421475623.db2.gz HNZPBQUUKPRNJH-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCCCC[N@H+]1CCC1CC1 ZINC001717542553 1421482969 /nfs/dbraw/zinc/48/29/69/1421482969.db2.gz GZJWEBRCOCWBTA-IBGZPJMESA-N 2 1 335.536 3.023 20 0 EGADMP C[N@@H+](CCCC1CCCC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001717701438 1421574637 /nfs/dbraw/zinc/57/46/37/1421574637.db2.gz DOBAMLLNLNORKC-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001717701438 1421574640 /nfs/dbraw/zinc/57/46/40/1421574640.db2.gz DOBAMLLNLNORKC-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001717701438 1421574643 /nfs/dbraw/zinc/57/46/43/1421574643.db2.gz DOBAMLLNLNORKC-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)[C@@H](C)c2cccc(F)c2)CC1 ZINC001717705092 1421579903 /nfs/dbraw/zinc/57/99/03/1421579903.db2.gz FZSUSKPKDKKXLY-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)[C@@H](C)c2cccc(F)c2)CC1 ZINC001717705092 1421579906 /nfs/dbraw/zinc/57/99/06/1421579906.db2.gz FZSUSKPKDKKXLY-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)[C@@H](C)c2cccc(F)c2)CC1 ZINC001717705092 1421579908 /nfs/dbraw/zinc/57/99/08/1421579908.db2.gz FZSUSKPKDKKXLY-INIZCTEOSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+]([C@H](CC)c2ccccc2)C1 ZINC001724183721 1424718457 /nfs/dbraw/zinc/71/84/57/1424718457.db2.gz LBLORVFBYXCGQD-QUCCMNQESA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+]([C@H](CC)c2ccccc2)C1 ZINC001724183721 1424718460 /nfs/dbraw/zinc/71/84/60/1424718460.db2.gz LBLORVFBYXCGQD-QUCCMNQESA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC001724183721 1424718462 /nfs/dbraw/zinc/71/84/62/1424718462.db2.gz LBLORVFBYXCGQD-QUCCMNQESA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CCC1CCCC1 ZINC001724850581 1425212822 /nfs/dbraw/zinc/21/28/22/1425212822.db2.gz IXMKCZCLNHHYFE-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)CCC1CCCC1 ZINC001724850581 1425212824 /nfs/dbraw/zinc/21/28/24/1425212824.db2.gz IXMKCZCLNHHYFE-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CCC1CCCC1 ZINC001724850581 1425212828 /nfs/dbraw/zinc/21/28/28/1425212828.db2.gz IXMKCZCLNHHYFE-IBGZPJMESA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H](c1ccccc1F)[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001724855697 1425226011 /nfs/dbraw/zinc/22/60/11/1425226011.db2.gz NBTNVKIJTXNCJI-MRXNPFEDSA-N 2 1 349.494 3.009 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001725419604 1426067225 /nfs/dbraw/zinc/06/72/25/1426067225.db2.gz GBSYCEOAQHUJMC-KRWDZBQOSA-N 2 1 337.552 3.076 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001725585280 1426240366 /nfs/dbraw/zinc/24/03/66/1426240366.db2.gz GZXXDKBHUFYYAV-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1CC1CCCCCC1 ZINC001725623135 1426289173 /nfs/dbraw/zinc/28/91/73/1426289173.db2.gz ILXWOEBSXUJMHC-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001731297634 1427239943 /nfs/dbraw/zinc/23/99/43/1427239943.db2.gz UJNWKCRCYNOIRY-PKOBYXMFSA-N 2 1 337.552 3.410 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@H](C)c2ccccc2C)C1 ZINC001731678626 1427726198 /nfs/dbraw/zinc/72/61/98/1427726198.db2.gz CYHDQHVWVUJUES-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001731835894 1428050750 /nfs/dbraw/zinc/05/07/50/1428050750.db2.gz UBSZLKKZGCVAQK-QGZVFWFLSA-N 2 1 334.508 3.023 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001731835894 1428050755 /nfs/dbraw/zinc/05/07/55/1428050755.db2.gz UBSZLKKZGCVAQK-QGZVFWFLSA-N 2 1 334.508 3.023 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)[C@@H](C)c1ccccc1 ZINC001731873533 1428134095 /nfs/dbraw/zinc/13/40/95/1428134095.db2.gz LEJSZTBPUGDJGW-AZUAARDMSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)[C@@H](C)c1ccccc1 ZINC001731873533 1428134099 /nfs/dbraw/zinc/13/40/99/1428134099.db2.gz LEJSZTBPUGDJGW-AZUAARDMSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)[C@@H](C)c1ccccc1 ZINC001731873533 1428134100 /nfs/dbraw/zinc/13/41/00/1428134100.db2.gz LEJSZTBPUGDJGW-AZUAARDMSA-N 2 1 345.531 3.450 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC2=CCCCC2)CC1 ZINC001733863805 1437692335 /nfs/dbraw/zinc/69/23/35/1437692335.db2.gz DZCPAYLQBLIWKB-IBGZPJMESA-N 2 1 347.547 3.332 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CCC[N@H+]1CC1CCC1 ZINC001734464071 1438120354 /nfs/dbraw/zinc/12/03/54/1438120354.db2.gz XGINEASZLZCJRK-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CCC[NH+]1CC1CCC1 ZINC001734464071 1438120356 /nfs/dbraw/zinc/12/03/56/1438120356.db2.gz XGINEASZLZCJRK-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CCC[NH+]1CC1CCC1 ZINC001734464071 1438120357 /nfs/dbraw/zinc/12/03/57/1438120357.db2.gz XGINEASZLZCJRK-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CCCC1CCCC1 ZINC001751997495 1440131847 /nfs/dbraw/zinc/13/18/47/1440131847.db2.gz JNKDEZSBWIXNOE-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)CCCC1CCCC1 ZINC001751997495 1440131848 /nfs/dbraw/zinc/13/18/48/1440131848.db2.gz JNKDEZSBWIXNOE-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)CCCC1CCCC1 ZINC001751997495 1440131849 /nfs/dbraw/zinc/13/18/49/1440131849.db2.gz JNKDEZSBWIXNOE-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001752158159 1440148039 /nfs/dbraw/zinc/14/80/39/1440148039.db2.gz UCIZUWQJWUGZGW-ICSRJNTNSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001752158159 1440148040 /nfs/dbraw/zinc/14/80/40/1440148040.db2.gz UCIZUWQJWUGZGW-ICSRJNTNSA-N 2 1 345.531 3.134 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001752508331 1440190046 /nfs/dbraw/zinc/19/00/46/1440190046.db2.gz QVXHNUMIZSZJPJ-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001752508331 1440190047 /nfs/dbraw/zinc/19/00/47/1440190047.db2.gz QVXHNUMIZSZJPJ-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001752508331 1440190048 /nfs/dbraw/zinc/19/00/48/1440190048.db2.gz QVXHNUMIZSZJPJ-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP Cc1ccc(C[N@H+](C)C[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001752517742 1440191569 /nfs/dbraw/zinc/19/15/69/1440191569.db2.gz KDVRTRRREKGQJA-HXUWFJFHSA-N 2 1 345.531 3.007 20 0 EGADMP CCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001752526435 1440193007 /nfs/dbraw/zinc/19/30/07/1440193007.db2.gz UVROEUNQDTUWHU-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC001752697872 1440201232 /nfs/dbraw/zinc/20/12/32/1440201232.db2.gz UUVCEJMZKMNLES-YQQQUEKLSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001752824988 1440223286 /nfs/dbraw/zinc/22/32/86/1440223286.db2.gz JKJZLEWSTDJZTM-UXHICEINSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001752824988 1440223287 /nfs/dbraw/zinc/22/32/87/1440223287.db2.gz JKJZLEWSTDJZTM-UXHICEINSA-N 2 1 345.531 3.306 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001752825208 1440223372 /nfs/dbraw/zinc/22/33/72/1440223372.db2.gz NHQNHKOTLOVNSQ-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001752854187 1440234372 /nfs/dbraw/zinc/23/43/72/1440234372.db2.gz VZGNZUJIKPXPHG-QBUPGPRJSA-N 2 1 349.563 3.480 20 0 EGADMP CCC/C=C/CC[NH2+][C@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001752900665 1440242789 /nfs/dbraw/zinc/24/27/89/1440242789.db2.gz JZADCCNWCGKVRO-ZCLAENRFSA-N 2 1 341.515 3.040 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001753000382 1440264496 /nfs/dbraw/zinc/26/44/96/1440264496.db2.gz RXXDWDRWJQQBOX-XLIONFOSSA-N 2 1 345.531 3.331 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001753038691 1440275551 /nfs/dbraw/zinc/27/55/51/1440275551.db2.gz WMOLJFCPVXADGU-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001753040259 1440275984 /nfs/dbraw/zinc/27/59/84/1440275984.db2.gz UNTFBFDZBPTGFO-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001753040259 1440275985 /nfs/dbraw/zinc/27/59/85/1440275985.db2.gz UNTFBFDZBPTGFO-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001753040259 1440275986 /nfs/dbraw/zinc/27/59/86/1440275986.db2.gz UNTFBFDZBPTGFO-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CCC1CCCCC1 ZINC001753085300 1440295897 /nfs/dbraw/zinc/29/58/97/1440295897.db2.gz VOTTVYGPJQXLAJ-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)CCC1CCCCC1 ZINC001753085300 1440295898 /nfs/dbraw/zinc/29/58/98/1440295898.db2.gz VOTTVYGPJQXLAJ-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)CCC1CCCCC1 ZINC001753085300 1440295899 /nfs/dbraw/zinc/29/58/99/1440295899.db2.gz VOTTVYGPJQXLAJ-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1C(C)C ZINC001753115335 1440310786 /nfs/dbraw/zinc/31/07/86/1440310786.db2.gz DJRONCNNQCHGHI-LJQANCHMSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1C(C)C ZINC001753115335 1440310787 /nfs/dbraw/zinc/31/07/87/1440310787.db2.gz DJRONCNNQCHGHI-LJQANCHMSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1C(C)C ZINC001753115335 1440310788 /nfs/dbraw/zinc/31/07/88/1440310788.db2.gz DJRONCNNQCHGHI-LJQANCHMSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H](C)c1cc(C)ccc1C ZINC001753142968 1440322398 /nfs/dbraw/zinc/32/23/98/1440322398.db2.gz QRIALTVGOJZEOV-QUCCMNQESA-N 2 1 345.531 3.287 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C)c1cc(C)ccc1C ZINC001753142968 1440322399 /nfs/dbraw/zinc/32/23/99/1440322399.db2.gz QRIALTVGOJZEOV-QUCCMNQESA-N 2 1 345.531 3.287 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@H](C)c1cc(C)ccc1C ZINC001753142968 1440322400 /nfs/dbraw/zinc/32/24/00/1440322400.db2.gz QRIALTVGOJZEOV-QUCCMNQESA-N 2 1 345.531 3.287 20 0 EGADMP CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccc(F)cc1 ZINC001753191348 1440337719 /nfs/dbraw/zinc/33/77/19/1440337719.db2.gz XNAPVQAQLPWGLH-IPMKNSEASA-N 2 1 349.494 3.055 20 0 EGADMP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001753197235 1440338165 /nfs/dbraw/zinc/33/81/65/1440338165.db2.gz UYOKEJYSLVSZLI-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)CC[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC001753236637 1440341623 /nfs/dbraw/zinc/34/16/23/1440341623.db2.gz BJHPSVGEQZIZQS-MSOLQXFVSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001753337132 1440373084 /nfs/dbraw/zinc/37/30/84/1440373084.db2.gz HOXGQBNVXHWPOT-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](CCC(=O)NCC1C[NH+](CC2=CCCCC2)C1)C1CCCCC1 ZINC001753406823 1440392150 /nfs/dbraw/zinc/39/21/50/1440392150.db2.gz KYSSFQPCRPZDFI-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP CN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001753440187 1440401424 /nfs/dbraw/zinc/40/14/24/1440401424.db2.gz UYEABWDOGGGYNR-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001753440187 1440401425 /nfs/dbraw/zinc/40/14/25/1440401425.db2.gz UYEABWDOGGGYNR-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)CC[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001753440187 1440401426 /nfs/dbraw/zinc/40/14/26/1440401426.db2.gz UYEABWDOGGGYNR-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001753446265 1440404075 /nfs/dbraw/zinc/40/40/75/1440404075.db2.gz HFLLENGMNLEOIE-OALUTQOASA-N 2 1 345.531 3.239 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001753446265 1440404076 /nfs/dbraw/zinc/40/40/76/1440404076.db2.gz HFLLENGMNLEOIE-OALUTQOASA-N 2 1 345.531 3.239 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001753446265 1440404077 /nfs/dbraw/zinc/40/40/77/1440404077.db2.gz HFLLENGMNLEOIE-OALUTQOASA-N 2 1 345.531 3.239 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001753449823 1440405350 /nfs/dbraw/zinc/40/53/50/1440405350.db2.gz KBEHWIAMZDRJDG-VOFKWLDRSA-N 2 1 335.536 3.142 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001753450198 1440405768 /nfs/dbraw/zinc/40/57/68/1440405768.db2.gz ODXJSPVULNPISS-QUCCMNQESA-N 2 1 343.515 3.156 20 0 EGADMP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001753461922 1440411248 /nfs/dbraw/zinc/41/12/48/1440411248.db2.gz OXODJTDHYYSJQC-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CC[C@H]([NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC001753511802 1440426215 /nfs/dbraw/zinc/42/62/15/1440426215.db2.gz MSBNCZUEMPMPQT-OALUTQOASA-N 2 1 343.515 3.108 20 0 EGADMP CC(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001753547868 1440434596 /nfs/dbraw/zinc/43/45/96/1440434596.db2.gz FZOWRPUZSGXYKM-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+][C@H](C)c2ccccc2)C1 ZINC001753559779 1440436731 /nfs/dbraw/zinc/43/67/31/1440436731.db2.gz NOWWMSJXGDAXMN-RTBURBONSA-N 2 1 345.531 3.308 20 0 EGADMP CC(C)CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001753591336 1440443043 /nfs/dbraw/zinc/44/30/43/1440443043.db2.gz VMKWYLCFZIFJKZ-YLJYHZDGSA-N 2 1 345.531 3.169 20 0 EGADMP CC(C)=CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001753598524 1440445613 /nfs/dbraw/zinc/44/56/13/1440445613.db2.gz KNJXMAIQEBZVHM-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001753602008 1440446636 /nfs/dbraw/zinc/44/66/36/1440446636.db2.gz YDASFLYFVVBJGP-PWBPZBFBSA-N 2 1 335.536 3.188 20 0 EGADMP Cc1cc(C)cc(C[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]2CCC[N@H+]2C)c1 ZINC001753617922 1440450117 /nfs/dbraw/zinc/45/01/17/1440450117.db2.gz BGPPVFOMPZKWGK-QUCCMNQESA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCCC1 ZINC001753632400 1440452493 /nfs/dbraw/zinc/45/24/93/1440452493.db2.gz NIBOVWRQENCZPS-HKUYNNGSSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001753639487 1440454122 /nfs/dbraw/zinc/45/41/22/1440454122.db2.gz HBEXCBZPAAOILC-IEBWSBKVSA-N 2 1 349.563 3.031 20 0 EGADMP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCCC1 ZINC001753671124 1440462015 /nfs/dbraw/zinc/46/20/15/1440462015.db2.gz RLXSPUPJYYGVSQ-DUMMIQTOSA-N 2 1 335.536 3.236 20 0 EGADMP CC(C)C[C@H](C[NH2+][C@@H]1CCc2ccccc21)NC(=O)C[N@@H+](C)C(C)C ZINC001753743929 1440480194 /nfs/dbraw/zinc/48/01/94/1440480194.db2.gz XMLWJSUJUUJXCO-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[NH2+]CC1=CCCCC1 ZINC001753829990 1440499395 /nfs/dbraw/zinc/49/93/95/1440499395.db2.gz ROVLOECTZYPBAV-MOPGFXCFSA-N 2 1 335.536 3.090 20 0 EGADMP C[C@@H](c1ccccc1F)[N@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001753855228 1440508496 /nfs/dbraw/zinc/50/84/96/1440508496.db2.gz PQGHCMVJAWRVIR-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP C[C@@H](c1ccccc1F)[N@@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001753855228 1440508497 /nfs/dbraw/zinc/50/84/97/1440508497.db2.gz PQGHCMVJAWRVIR-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP C[C@@H](c1ccccc1F)[NH+](C)CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001753855228 1440508498 /nfs/dbraw/zinc/50/84/98/1440508498.db2.gz PQGHCMVJAWRVIR-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP C[C@@H](c1ccccc1F)[NH+](C)CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001753855228 1440508499 /nfs/dbraw/zinc/50/84/99/1440508499.db2.gz PQGHCMVJAWRVIR-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP C[C@@H](C[N@@H+](C)CCC1=CCCCC1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001754325521 1440580104 /nfs/dbraw/zinc/58/01/04/1440580104.db2.gz QLERXYFGTHLOQZ-KRWDZBQOSA-N 2 1 337.552 3.291 20 0 EGADMP C[C@@H](C[NH+](C)CCC1=CCCCC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001754325521 1440580105 /nfs/dbraw/zinc/58/01/05/1440580105.db2.gz QLERXYFGTHLOQZ-KRWDZBQOSA-N 2 1 337.552 3.291 20 0 EGADMP C[C@@H](C[NH+](C)CCC1=CCCCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001754325521 1440580106 /nfs/dbraw/zinc/58/01/06/1440580106.db2.gz QLERXYFGTHLOQZ-KRWDZBQOSA-N 2 1 337.552 3.291 20 0 EGADMP C[C@@H](C[N@@H+](C)CC1CCCCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001754331405 1440584173 /nfs/dbraw/zinc/58/41/73/1440584173.db2.gz SLOVFGDKBIOBQX-KRWDZBQOSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC1CCCCCC1 ZINC001754336000 1440586542 /nfs/dbraw/zinc/58/65/42/1440586542.db2.gz JLBHXCREYFOTBC-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CCCCCC1 ZINC001754336000 1440586543 /nfs/dbraw/zinc/58/65/43/1440586543.db2.gz JLBHXCREYFOTBC-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1CCCCCC1 ZINC001754336000 1440586544 /nfs/dbraw/zinc/58/65/44/1440586544.db2.gz JLBHXCREYFOTBC-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1CC ZINC001754471202 1440605409 /nfs/dbraw/zinc/60/54/09/1440605409.db2.gz WOWVHXPOXHRWNS-ZWKOTPCHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001754470855 1440605487 /nfs/dbraw/zinc/60/54/87/1440605487.db2.gz RTOQXACDZLVYKN-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@@H](C)c1ccc(C(C)C)cc1 ZINC001754495902 1440612193 /nfs/dbraw/zinc/61/21/93/1440612193.db2.gz AVJBSURGQGNJGA-FXAWDEMLSA-N 2 1 345.531 3.403 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)c1ccc(C(C)C)cc1 ZINC001754495902 1440612194 /nfs/dbraw/zinc/61/21/94/1440612194.db2.gz AVJBSURGQGNJGA-FXAWDEMLSA-N 2 1 345.531 3.403 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)c1ccc(C(C)C)cc1 ZINC001754495902 1440612195 /nfs/dbraw/zinc/61/21/95/1440612195.db2.gz AVJBSURGQGNJGA-FXAWDEMLSA-N 2 1 345.531 3.403 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001754504057 1440615342 /nfs/dbraw/zinc/61/53/42/1440615342.db2.gz CMKNPGOLRJKJLA-ASIGSXEYSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C ZINC001754542785 1440626505 /nfs/dbraw/zinc/62/65/05/1440626505.db2.gz DSXZXCCHSKOOHQ-UEIMZRGPSA-N 2 1 347.547 3.282 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001754542785 1440626506 /nfs/dbraw/zinc/62/65/06/1440626506.db2.gz DSXZXCCHSKOOHQ-UEIMZRGPSA-N 2 1 347.547 3.282 20 0 EGADMP CCC/C=C\CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C ZINC001754542785 1440626507 /nfs/dbraw/zinc/62/65/07/1440626507.db2.gz DSXZXCCHSKOOHQ-UEIMZRGPSA-N 2 1 347.547 3.282 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001754568338 1440636695 /nfs/dbraw/zinc/63/66/95/1440636695.db2.gz CAYAQBIAVOCHQS-FQEVSTJZSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001754670254 1440657936 /nfs/dbraw/zinc/65/79/36/1440657936.db2.gz MFQOWIMDSFBDCZ-GHTZIAJQSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001754670254 1440657937 /nfs/dbraw/zinc/65/79/37/1440657937.db2.gz MFQOWIMDSFBDCZ-GHTZIAJQSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001754670254 1440657938 /nfs/dbraw/zinc/65/79/38/1440657938.db2.gz MFQOWIMDSFBDCZ-GHTZIAJQSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001754681266 1440662402 /nfs/dbraw/zinc/66/24/02/1440662402.db2.gz CXKULUPBYSXQEY-UYAOXDASSA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001754681266 1440662403 /nfs/dbraw/zinc/66/24/03/1440662403.db2.gz CXKULUPBYSXQEY-UYAOXDASSA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CC3CCCCC3)C2)CC[N@H+]1C ZINC001754694940 1440666871 /nfs/dbraw/zinc/66/68/71/1440666871.db2.gz IUGMCBWBUZHWMT-ZVDOUQERSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001754732096 1440680111 /nfs/dbraw/zinc/68/01/11/1440680111.db2.gz NJCCNERXRWQLFD-OAQYLSRUSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001754783573 1440687072 /nfs/dbraw/zinc/68/70/72/1440687072.db2.gz OKGAQYISQUZZBD-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]([NH2+]CCC1CC1)[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001754796752 1440689688 /nfs/dbraw/zinc/68/96/88/1440689688.db2.gz GDGCQDLVHNGTPT-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001754945016 1440712469 /nfs/dbraw/zinc/71/24/69/1440712469.db2.gz PKQLTRDHPLGWQZ-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)(C)C2)CC1)C1CCC1 ZINC001754952623 1440715348 /nfs/dbraw/zinc/71/53/48/1440715348.db2.gz CETJTHZHVMPSPH-SAABIXHNSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001754954574 1440716127 /nfs/dbraw/zinc/71/61/27/1440716127.db2.gz HSAMGJJEGHURTC-IYARVYRRSA-N 2 1 337.552 3.314 20 0 EGADMP CCCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001754955131 1440716140 /nfs/dbraw/zinc/71/61/40/1440716140.db2.gz VACRKMQQSCSKQJ-HXUWFJFHSA-N 2 1 345.531 3.409 20 0 EGADMP CCCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001754955131 1440716141 /nfs/dbraw/zinc/71/61/41/1440716141.db2.gz VACRKMQQSCSKQJ-HXUWFJFHSA-N 2 1 345.531 3.409 20 0 EGADMP CCCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001754955131 1440716142 /nfs/dbraw/zinc/71/61/42/1440716142.db2.gz VACRKMQQSCSKQJ-HXUWFJFHSA-N 2 1 345.531 3.409 20 0 EGADMP CC[C@@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001754955636 1440716399 /nfs/dbraw/zinc/71/63/99/1440716399.db2.gz LKKFHJIXABDUCY-MTHXSQLBSA-N 2 1 337.552 3.027 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1CCC[N@H+](CC=C(C)C)CC1 ZINC001755024327 1440728004 /nfs/dbraw/zinc/72/80/04/1440728004.db2.gz BLYFQVSCRKWYFZ-ZWKOTPCHSA-N 2 1 346.519 3.334 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1CCC[N@@H+](CC=C(C)C)CC1 ZINC001755024327 1440728005 /nfs/dbraw/zinc/72/80/05/1440728005.db2.gz BLYFQVSCRKWYFZ-ZWKOTPCHSA-N 2 1 346.519 3.334 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001755027516 1440729545 /nfs/dbraw/zinc/72/95/45/1440729545.db2.gz BBHRDNCFKWXYSV-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP Cc1ccc(C)c(C[NH+]2CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)CC2)c1 ZINC001755033785 1440733134 /nfs/dbraw/zinc/73/31/34/1440733134.db2.gz FCSJRMLQOAHIHW-HXUWFJFHSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1ccc(C)c(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC2)c1 ZINC001755033785 1440733135 /nfs/dbraw/zinc/73/31/35/1440733135.db2.gz FCSJRMLQOAHIHW-HXUWFJFHSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC2)c1 ZINC001755033785 1440733136 /nfs/dbraw/zinc/73/31/36/1440733136.db2.gz FCSJRMLQOAHIHW-HXUWFJFHSA-N 2 1 345.531 3.114 20 0 EGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001755034204 1440733329 /nfs/dbraw/zinc/73/33/29/1440733329.db2.gz NHAKEDNWWASEIK-IBGZPJMESA-N 2 1 337.552 3.413 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)CCC[N@@H+](C)CC[C@H]1CCC[C@H](C)C1 ZINC001755038930 1440736014 /nfs/dbraw/zinc/73/60/14/1440736014.db2.gz KMCQFVCQUJJMLS-PKOBYXMFSA-N 2 1 348.535 3.188 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)CCC[N@H+](C)CC[C@H]1CCC[C@H](C)C1 ZINC001755038930 1440736015 /nfs/dbraw/zinc/73/60/15/1440736015.db2.gz KMCQFVCQUJJMLS-PKOBYXMFSA-N 2 1 348.535 3.188 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001755042372 1440738066 /nfs/dbraw/zinc/73/80/66/1440738066.db2.gz ZOKOKXSSVXRPOR-INIZCTEOSA-N 2 1 349.494 3.009 20 0 EGADMP CCC1([NH2+]CC2CCC(C)CC2)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001755073084 1440747334 /nfs/dbraw/zinc/74/73/34/1440747334.db2.gz FYUGXEYLXVWFGJ-CTWPCTMYSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC(C)([NH2+]CCC2CCCC2)CC1 ZINC001755129958 1440756941 /nfs/dbraw/zinc/75/69/41/1440756941.db2.gz ZLVSREQEULCDPK-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC(C)(C)C)CC1 ZINC001755135737 1440758184 /nfs/dbraw/zinc/75/81/84/1440758184.db2.gz BTLQNEBVPNYVIO-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccc(C)c(C[NH2+]C2(C)CCN(C(=O)C[N@H+](C)C(C)C)CC2)c1 ZINC001755135904 1440758209 /nfs/dbraw/zinc/75/82/09/1440758209.db2.gz HMZDCGPHVSALMU-UHFFFAOYSA-N 2 1 345.531 3.114 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1CC[N@H+](CC2CC2)CC1(C)C ZINC001755139121 1440759653 /nfs/dbraw/zinc/75/96/53/1440759653.db2.gz UGQPGHDDASBPNT-RDJZCZTQSA-N 2 1 346.519 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1CC[N@@H+](CC2CC2)CC1(C)C ZINC001755139121 1440759654 /nfs/dbraw/zinc/75/96/54/1440759654.db2.gz UGQPGHDDASBPNT-RDJZCZTQSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2=CCCCC2)CC1(C)C ZINC001755144067 1440762518 /nfs/dbraw/zinc/76/25/18/1440762518.db2.gz WJMCLQRXNMNASN-GOSISDBHSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC2=CCCCC2)CC1(C)C ZINC001755144067 1440762519 /nfs/dbraw/zinc/76/25/19/1440762519.db2.gz WJMCLQRXNMNASN-GOSISDBHSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)CC1(C)C ZINC001755144067 1440762520 /nfs/dbraw/zinc/76/25/20/1440762520.db2.gz WJMCLQRXNMNASN-GOSISDBHSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CCC1CCCC1 ZINC001755162448 1440765356 /nfs/dbraw/zinc/76/53/56/1440765356.db2.gz VFNHGHHIFGMZNB-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)[C@@H](C)C1 ZINC001755165649 1440766996 /nfs/dbraw/zinc/76/69/96/1440766996.db2.gz PGSPHODWKZWEQG-PKOBYXMFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)[C@@H](C)C1 ZINC001755165649 1440766997 /nfs/dbraw/zinc/76/69/97/1440766997.db2.gz PGSPHODWKZWEQG-PKOBYXMFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)[C@@H](C)C1 ZINC001755165649 1440766998 /nfs/dbraw/zinc/76/69/98/1440766998.db2.gz PGSPHODWKZWEQG-PKOBYXMFSA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[N@@H+](C)CCC1=CCCCC1 ZINC001755198179 1440778098 /nfs/dbraw/zinc/77/80/98/1440778098.db2.gz VQQIRWWIYJIYBO-LJQANCHMSA-N 2 1 335.536 3.142 20 0 EGADMP CC/C=C\CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001755281577 1440800764 /nfs/dbraw/zinc/80/07/64/1440800764.db2.gz OMDQQWYDTOXHML-RJCMGOLDSA-N 2 1 349.563 3.434 20 0 EGADMP CCc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001755328513 1440823328 /nfs/dbraw/zinc/82/33/28/1440823328.db2.gz QQZNOWOPCRAZCA-GOSISDBHSA-N 2 1 345.531 3.062 20 0 EGADMP CCc1ccccc1C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001755329172 1440823718 /nfs/dbraw/zinc/82/37/18/1440823718.db2.gz XMCWGBCNFRSVBH-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001755329172 1440823719 /nfs/dbraw/zinc/82/37/19/1440823719.db2.gz XMCWGBCNFRSVBH-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001755329172 1440823720 /nfs/dbraw/zinc/82/37/20/1440823720.db2.gz XMCWGBCNFRSVBH-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH2+]CC1CC1 ZINC001755339442 1440824710 /nfs/dbraw/zinc/82/47/10/1440824710.db2.gz JQPLRWXCMNVUCL-UXHICEINSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001755412902 1440847166 /nfs/dbraw/zinc/84/71/66/1440847166.db2.gz SFZZBEICPKMJQS-KRWDZBQOSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C(C)(C)C1 ZINC001755412902 1440847167 /nfs/dbraw/zinc/84/71/67/1440847167.db2.gz SFZZBEICPKMJQS-KRWDZBQOSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C(C)(C)C1 ZINC001755412902 1440847168 /nfs/dbraw/zinc/84/71/68/1440847168.db2.gz SFZZBEICPKMJQS-KRWDZBQOSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001755472513 1440859084 /nfs/dbraw/zinc/85/90/84/1440859084.db2.gz XWRVSULQXYRXDH-BZSNNMDCSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CCCCC1 ZINC001755498629 1440862351 /nfs/dbraw/zinc/86/23/51/1440862351.db2.gz MPFAZQBMFMDSCV-MJGOQNOKSA-N 2 1 337.552 3.314 20 0 EGADMP C[C@@H](CCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001755507592 1440863173 /nfs/dbraw/zinc/86/31/73/1440863173.db2.gz SLXLRBAJFCXGGF-PKOBYXMFSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC001755609530 1440886560 /nfs/dbraw/zinc/88/65/60/1440886560.db2.gz AEDPECXZNULCRJ-QGZVFWFLSA-N 2 1 341.499 3.118 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCC1)c1ccccc1 ZINC001755610539 1440886960 /nfs/dbraw/zinc/88/69/60/1440886960.db2.gz ONAFLWJSBAZLRX-XLIONFOSSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2[NH+](CCCC(C)C)CC3)CC[N@H+]1C ZINC001755702269 1440900590 /nfs/dbraw/zinc/90/05/90/1440900590.db2.gz PAWSZPLBOYZCMU-PXCRPINLSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2[N@H+](CCCC(C)C)CC3)CC[NH+]1C ZINC001755702269 1440900591 /nfs/dbraw/zinc/90/05/91/1440900591.db2.gz PAWSZPLBOYZCMU-PXCRPINLSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](CCCC(C)C)CC3)CC[NH+]1C ZINC001755702269 1440900592 /nfs/dbraw/zinc/90/05/92/1440900592.db2.gz PAWSZPLBOYZCMU-PXCRPINLSA-N 2 1 349.563 3.266 20 0 EGADMP CC1CC(C[N@H+]2CC[C@@]3(NC(=O)CCC[NH+]4CCCC4)CCC[C@H]23)C1 ZINC001755704794 1440902121 /nfs/dbraw/zinc/90/21/21/1440902121.db2.gz QHDGPKFQVQETBU-XSNSTOHYSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1CC1CCCCC1 ZINC001755716496 1440905234 /nfs/dbraw/zinc/90/52/34/1440905234.db2.gz AGRIRZOEVHTSOV-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CCC[N@H+]1CC1CC1 ZINC001755716909 1440905410 /nfs/dbraw/zinc/90/54/10/1440905410.db2.gz POKYVJNMSGYKOE-QAPCUYQASA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCC[NH+]1CC1CC1 ZINC001755716909 1440905411 /nfs/dbraw/zinc/90/54/11/1440905411.db2.gz POKYVJNMSGYKOE-QAPCUYQASA-N 2 1 335.536 3.019 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCC[NH+]1CC1CC1 ZINC001755716909 1440905412 /nfs/dbraw/zinc/90/54/12/1440905412.db2.gz POKYVJNMSGYKOE-QAPCUYQASA-N 2 1 335.536 3.019 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+][C@H](CC)c2ccccc2)C(C)(C)C1 ZINC001755765557 1440916040 /nfs/dbraw/zinc/91/60/40/1440916040.db2.gz RMAAPVKWALEJTI-MOPGFXCFSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)N(CC[N@@H+](C)CC1CCCCCC1)C(=O)CC[NH+](C)C ZINC001755811758 1440920608 /nfs/dbraw/zinc/92/06/08/1440920608.db2.gz AUSVDKTZPUSYMC-UHFFFAOYSA-N 2 1 325.541 3.077 20 0 EGADMP CC(C)C[N@@H+](C)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001755814753 1440922662 /nfs/dbraw/zinc/92/26/62/1440922662.db2.gz NBMSDBNNRBSMCQ-GOSISDBHSA-N 2 1 325.541 3.076 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH2+][C@@H]1CCc2ccccc21)C(C)(C)C ZINC001755836361 1440930313 /nfs/dbraw/zinc/93/03/13/1440930313.db2.gz SDAUCSAROSXJMF-MOPGFXCFSA-N 2 1 345.531 3.136 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH2+]CC1CCC(C)CC1)C(C)(C)C ZINC001755836108 1440930379 /nfs/dbraw/zinc/93/03/79/1440930379.db2.gz NAIXLZUPHXSSGH-DAWZGUTISA-N 2 1 339.568 3.275 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001755839945 1440931220 /nfs/dbraw/zinc/93/12/20/1440931220.db2.gz OHJZNOVTJVLCJZ-QGZVFWFLSA-N 2 1 325.541 3.027 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)C1CC[NH+](CC(C)C)CC1 ZINC001755843660 1440932446 /nfs/dbraw/zinc/93/24/46/1440932446.db2.gz QROBNNCQNYYXHH-IAGOWNOFSA-N 2 1 348.535 3.269 20 0 EGADMP CCCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001755847673 1440933815 /nfs/dbraw/zinc/93/38/15/1440933815.db2.gz FUSLYFPUKMVCTE-LNLFQRSKSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](CC2CCCC2)CC1 ZINC001755850634 1440934789 /nfs/dbraw/zinc/93/47/89/1440934789.db2.gz KJYQNKNPIVSARX-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]CC(CC)CC)C2)C1 ZINC001755860276 1440936611 /nfs/dbraw/zinc/93/66/11/1440936611.db2.gz YSHPRAXSTFZLHZ-VIQWUECVSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1cc(C)[nH+]c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164900000 721512127 /nfs/dbraw/zinc/51/21/27/721512127.db2.gz MYEBUSVQRCWNMA-PKOBYXMFSA-N 2 1 341.430 3.179 20 0 EGADMP Cc1cc(C)[nH+]c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164900000 721512133 /nfs/dbraw/zinc/51/21/33/721512133.db2.gz MYEBUSVQRCWNMA-PKOBYXMFSA-N 2 1 341.430 3.179 20 0 EGADMP CC[NH2+]CC1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000053659058 214192342 /nfs/dbraw/zinc/19/23/42/214192342.db2.gz WZEUWGCMJZGNCV-UHFFFAOYSA-N 2 1 329.257 3.410 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCc1ccc(CO)o1 ZINC000174272143 231162978 /nfs/dbraw/zinc/16/29/78/231162978.db2.gz SAUMXXOBWJFKFL-INIZCTEOSA-N 2 1 328.456 3.436 20 0 EGADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(CO)o1 ZINC000174272143 231162980 /nfs/dbraw/zinc/16/29/80/231162980.db2.gz SAUMXXOBWJFKFL-INIZCTEOSA-N 2 1 328.456 3.436 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(CO)o1 ZINC000174272143 231162982 /nfs/dbraw/zinc/16/29/82/231162982.db2.gz SAUMXXOBWJFKFL-INIZCTEOSA-N 2 1 328.456 3.436 20 0 EGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174724627 231291192 /nfs/dbraw/zinc/29/11/92/231291192.db2.gz DKUZSGQADPZXRX-CQSZACIVSA-N 2 1 327.875 3.109 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1C ZINC000178700292 232391683 /nfs/dbraw/zinc/39/16/83/232391683.db2.gz FOGQCHNARKYABR-HOCLYGCPSA-N 2 1 342.487 3.451 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)CC[N@H+]1C ZINC000180902512 234024730 /nfs/dbraw/zinc/02/47/30/234024730.db2.gz DVJKZGSXPZJJBE-SWLSCSKDSA-N 2 1 334.851 3.005 20 0 EGADMP COc1cccc2cc([C@H](C)[NH2+]CCCN3CCC[N@@H+](C)CC3)oc21 ZINC000181705905 234293757 /nfs/dbraw/zinc/29/37/57/234293757.db2.gz VBABUVIKMZQIGZ-INIZCTEOSA-N 2 1 345.487 3.120 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000184090379 235304246 /nfs/dbraw/zinc/30/42/46/235304246.db2.gz GBVZIHBIRREZLQ-CKEIUWERSA-N 2 1 346.450 3.127 20 0 EGADMP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000268827445 283214119 /nfs/dbraw/zinc/21/41/19/283214119.db2.gz ISPUOLXFHBPSSL-INIZCTEOSA-N 2 1 340.533 3.253 20 0 EGADMP COc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1Br ZINC000035054352 213007384 /nfs/dbraw/zinc/00/73/84/213007384.db2.gz LXNBNJARKVHGJP-UHFFFAOYSA-N 2 1 339.277 3.174 20 0 EGADMP Brc1ccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000246084610 243190046 /nfs/dbraw/zinc/19/00/46/243190046.db2.gz ZCOUMQSWDNKCGA-CABCVRRESA-N 2 1 339.277 3.044 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc2ccccc2n1 ZINC000268884631 296122055 /nfs/dbraw/zinc/12/20/55/296122055.db2.gz IGVOAXAKVJRISS-AEFFLSMTSA-N 2 1 327.472 3.122 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)NC(C)(C)C ZINC000249774529 296135612 /nfs/dbraw/zinc/13/56/12/296135612.db2.gz VKLOGYLSFVAINL-IAGOWNOFSA-N 2 1 345.531 3.454 20 0 EGADMP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000262648234 245094139 /nfs/dbraw/zinc/09/41/39/245094139.db2.gz KPMDUCPZTODJOQ-WMZOPIPTSA-N 2 1 343.496 3.010 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](CC4=CCCOC4)CC[C@@H]32)cc1 ZINC000092043813 218109837 /nfs/dbraw/zinc/10/98/37/218109837.db2.gz KQEVCLZAHMHIPP-SFTDATJTSA-N 2 1 326.484 3.320 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CC4=CCCOC4)CC[C@@H]32)cc1 ZINC000092043813 218109838 /nfs/dbraw/zinc/10/98/38/218109838.db2.gz KQEVCLZAHMHIPP-SFTDATJTSA-N 2 1 326.484 3.320 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CC4=CCCOC4)CC[C@@H]32)cc1 ZINC000092043813 218109840 /nfs/dbraw/zinc/10/98/40/218109840.db2.gz KQEVCLZAHMHIPP-SFTDATJTSA-N 2 1 326.484 3.320 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CC4=CCCOC4)CC[C@@H]32)cc1 ZINC000092043813 218109842 /nfs/dbraw/zinc/10/98/42/218109842.db2.gz KQEVCLZAHMHIPP-SFTDATJTSA-N 2 1 326.484 3.320 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2cccnc2)CC1 ZINC000092739571 218163925 /nfs/dbraw/zinc/16/39/25/218163925.db2.gz MRYPBLSMQDWPRU-GOSISDBHSA-N 2 1 338.499 3.070 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000263305515 296312789 /nfs/dbraw/zinc/31/27/89/296312789.db2.gz XTLULEFFQRVJNA-DOADOZAASA-N 2 1 335.536 3.007 20 0 EGADMP Cc1noc(CCC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000268699494 252150630 /nfs/dbraw/zinc/15/06/30/252150630.db2.gz UVBRJSDITYGQQO-VQIMIIECSA-N 2 1 342.487 3.296 20 0 EGADMP Cc1noc(CCC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000268699494 252150634 /nfs/dbraw/zinc/15/06/34/252150634.db2.gz UVBRJSDITYGQQO-VQIMIIECSA-N 2 1 342.487 3.296 20 0 EGADMP Cc1noc(CCC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000268699494 252150636 /nfs/dbraw/zinc/15/06/36/252150636.db2.gz UVBRJSDITYGQQO-VQIMIIECSA-N 2 1 342.487 3.296 20 0 EGADMP Cc1noc(CCC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000268699494 252150641 /nfs/dbraw/zinc/15/06/41/252150641.db2.gz UVBRJSDITYGQQO-VQIMIIECSA-N 2 1 342.487 3.296 20 0 EGADMP C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1cccc(OCC[NH+](C)C)c1 ZINC000268720476 252170943 /nfs/dbraw/zinc/17/09/43/252170943.db2.gz KQSJFJFHVJXFSY-MRXNPFEDSA-N 2 1 338.455 3.126 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000268836348 252285173 /nfs/dbraw/zinc/28/51/73/252285173.db2.gz BNALISFYXXGUNB-COPCDDAFSA-N 2 1 338.495 3.090 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000171689681 533046286 /nfs/dbraw/zinc/04/62/86/533046286.db2.gz NIONVKOTXJPMKC-UHFFFAOYSA-N 2 1 335.517 3.200 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000153802687 224160255 /nfs/dbraw/zinc/16/02/55/224160255.db2.gz KIIURYMUAOWFLQ-QGZVFWFLSA-N 2 1 327.472 3.368 20 0 EGADMP O[C@@H](C[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1)c1ccsc1 ZINC000178977293 285300493 /nfs/dbraw/zinc/30/04/93/285300493.db2.gz BGJLANLAJVWFGC-IBGZPJMESA-N 2 1 330.497 3.283 20 0 EGADMP OC1(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000342812753 141149979 /nfs/dbraw/zinc/14/99/79/141149979.db2.gz MTHGDYKETPTXRH-XUVXKRRUSA-N 2 1 328.500 3.182 20 0 EGADMP CC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccn(C)n1 ZINC000342811756 141150428 /nfs/dbraw/zinc/15/04/28/141150428.db2.gz WPGVLRYIVYLZTE-IBGZPJMESA-N 2 1 342.487 3.134 20 0 EGADMP C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347935597 141220291 /nfs/dbraw/zinc/22/02/91/141220291.db2.gz PXQVSKZWGQLODS-WMZOPIPTSA-N 2 1 344.499 3.243 20 0 EGADMP CCCn1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350561663 141253931 /nfs/dbraw/zinc/25/39/31/141253931.db2.gz YHLHETCMOMUYOB-NHCUHLMSSA-N 2 1 340.515 3.465 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000357945188 141363605 /nfs/dbraw/zinc/36/36/05/141363605.db2.gz NQTLTTPQVKTKDX-MRXNPFEDSA-N 2 1 335.467 3.126 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000357945188 141363606 /nfs/dbraw/zinc/36/36/06/141363606.db2.gz NQTLTTPQVKTKDX-MRXNPFEDSA-N 2 1 335.467 3.126 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000357945188 141363607 /nfs/dbraw/zinc/36/36/07/141363607.db2.gz NQTLTTPQVKTKDX-MRXNPFEDSA-N 2 1 335.467 3.126 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CCSCC1 ZINC000186944533 144147950 /nfs/dbraw/zinc/14/79/50/144147950.db2.gz WDQJSUNGPXGYDZ-INIZCTEOSA-N 2 1 334.529 3.140 20 0 EGADMP COC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CCOCC1 ZINC000188025055 144167749 /nfs/dbraw/zinc/16/77/49/144167749.db2.gz PXMIGUWNDYUTJF-UTKZUKDTSA-N 2 1 346.515 3.243 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CC[N@H+]1C ZINC000344686480 144209943 /nfs/dbraw/zinc/20/99/43/144209943.db2.gz SEIKGKXKKLBJPU-APWZRJJASA-N 2 1 325.456 3.233 20 0 EGADMP Cc1nc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000351488462 144268806 /nfs/dbraw/zinc/26/88/06/144268806.db2.gz FRRJBBFNNXAKKY-BPUTZDHNSA-N 2 1 331.847 3.473 20 0 EGADMP Cc1nc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000351488462 144268807 /nfs/dbraw/zinc/26/88/07/144268807.db2.gz FRRJBBFNNXAKKY-BPUTZDHNSA-N 2 1 331.847 3.473 20 0 EGADMP C[N@@H+](C[C@H](O)CN1Cc2ccccc2C[C@H]1c1ccccc1)C1CC1 ZINC000351516319 144273015 /nfs/dbraw/zinc/27/30/15/144273015.db2.gz XKKYSYQJOYLUCJ-VXKWHMMOSA-N 2 1 336.479 3.241 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1)C1CC1 ZINC000351572864 144281639 /nfs/dbraw/zinc/28/16/39/144281639.db2.gz GNSSEGOJVIKBDH-VXKWHMMOSA-N 2 1 338.495 3.405 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1)C1CC1 ZINC000351572864 144281640 /nfs/dbraw/zinc/28/16/40/144281640.db2.gz GNSSEGOJVIKBDH-VXKWHMMOSA-N 2 1 338.495 3.405 20 0 EGADMP CO[C@]1(C)CCC[N@@H+](CCCCC[NH+]2CCC[C@](C)(OC)C2)C1 ZINC000348227701 286160310 /nfs/dbraw/zinc/16/03/10/286160310.db2.gz FFQASIPGSDZCJA-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP CO[C@]1(C)CCC[NH+](CCCCC[N@@H+]2CCC[C@](C)(OC)C2)C1 ZINC000348227701 286160311 /nfs/dbraw/zinc/16/03/11/286160311.db2.gz FFQASIPGSDZCJA-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP CO[C@]1(C)CCC[NH+](CCCCC[N@H+]2CCC[C@](C)(OC)C2)C1 ZINC000348227701 286160312 /nfs/dbraw/zinc/16/03/12/286160312.db2.gz FFQASIPGSDZCJA-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000341492969 155323538 /nfs/dbraw/zinc/32/35/38/155323538.db2.gz FNZFICMUCPLZCD-IBGZPJMESA-N 2 1 344.547 3.148 20 0 EGADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(F)c(F)c1 ZINC000116397431 152057401 /nfs/dbraw/zinc/05/74/01/152057401.db2.gz TXOPIFYXZNLULZ-MLGOLLRUSA-N 2 1 341.446 3.248 20 0 EGADMP COc1cccc(C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]2CCCO2)c1 ZINC000119483604 152208852 /nfs/dbraw/zinc/20/88/52/152208852.db2.gz JESLPPHJKPHHKM-QUCCMNQESA-N 2 1 332.488 3.161 20 0 EGADMP COc1cccc(C[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]2CCCO2)c1 ZINC000119483604 152208855 /nfs/dbraw/zinc/20/88/55/152208855.db2.gz JESLPPHJKPHHKM-QUCCMNQESA-N 2 1 332.488 3.161 20 0 EGADMP COc1cccc(C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@@H]2CCCO2)c1 ZINC000119483604 152208858 /nfs/dbraw/zinc/20/88/58/152208858.db2.gz JESLPPHJKPHHKM-QUCCMNQESA-N 2 1 332.488 3.161 20 0 EGADMP COc1cccc(C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@@H]2CCCO2)c1 ZINC000119483604 152208861 /nfs/dbraw/zinc/20/88/61/152208861.db2.gz JESLPPHJKPHHKM-QUCCMNQESA-N 2 1 332.488 3.161 20 0 EGADMP Fc1ccc2nc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)oc2c1 ZINC000119540132 152212762 /nfs/dbraw/zinc/21/27/62/152212762.db2.gz OSYDATGWSVSGLH-UHFFFAOYSA-N 2 1 347.434 3.044 20 0 EGADMP C[C@H]1CCC[N@H+](CCCCNc2cc[nH+]cc2Br)C1 ZINC000341541795 155345020 /nfs/dbraw/zinc/34/50/20/155345020.db2.gz DCZRKDZHKCVFBQ-ZDUSSCGKSA-N 2 1 326.282 3.190 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCCNc2cc[nH+]cc2Br)C1 ZINC000341541795 155345021 /nfs/dbraw/zinc/34/50/21/155345021.db2.gz DCZRKDZHKCVFBQ-ZDUSSCGKSA-N 2 1 326.282 3.190 20 0 EGADMP FC(F)(F)c1ccn([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000189181519 153056037 /nfs/dbraw/zinc/05/60/37/153056037.db2.gz CNZQVDFRSBFZFU-OAHLLOKOSA-N 2 1 344.425 3.415 20 0 EGADMP FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000189181519 153056040 /nfs/dbraw/zinc/05/60/40/153056040.db2.gz CNZQVDFRSBFZFU-OAHLLOKOSA-N 2 1 344.425 3.415 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192795806 153259860 /nfs/dbraw/zinc/25/98/60/153259860.db2.gz XVYZZSMNVMJSHM-GOOCMWNKSA-N 2 1 335.879 3.192 20 0 EGADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192922943 153266404 /nfs/dbraw/zinc/26/64/04/153266404.db2.gz CPEPJSDOECPHBZ-GOSISDBHSA-N 2 1 340.515 3.157 20 0 EGADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192924641 153266421 /nfs/dbraw/zinc/26/64/21/153266421.db2.gz ZBEHWODHSZKXRS-KRWDZBQOSA-N 2 1 326.488 3.319 20 0 EGADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192924641 153266424 /nfs/dbraw/zinc/26/64/24/153266424.db2.gz ZBEHWODHSZKXRS-KRWDZBQOSA-N 2 1 326.488 3.319 20 0 EGADMP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192972319 153270458 /nfs/dbraw/zinc/27/04/58/153270458.db2.gz ULAVKXFYUGJBHX-FMJMRLDVSA-N 2 1 329.488 3.386 20 0 EGADMP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192972319 153270461 /nfs/dbraw/zinc/27/04/61/153270461.db2.gz ULAVKXFYUGJBHX-FMJMRLDVSA-N 2 1 329.488 3.386 20 0 EGADMP COc1ccccc1[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC(C)C ZINC000193299118 153284891 /nfs/dbraw/zinc/28/48/91/153284891.db2.gz MDZNVSGRWLHXDE-KVMCETHSSA-N 2 1 332.488 3.376 20 0 EGADMP COc1ccccc1[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC(C)C ZINC000193299118 153284893 /nfs/dbraw/zinc/28/48/93/153284893.db2.gz MDZNVSGRWLHXDE-KVMCETHSSA-N 2 1 332.488 3.376 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000195133674 153382138 /nfs/dbraw/zinc/38/21/38/153382138.db2.gz SKFMVNCUALOYIL-MTQWCTHYSA-N 2 1 326.484 3.056 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC000303182313 154038793 /nfs/dbraw/zinc/03/87/93/154038793.db2.gz KWAJSIHOUMEQGC-BJLQDIEVSA-N 2 1 345.531 3.164 20 0 EGADMP COc1ccc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1O ZINC000311074350 154147705 /nfs/dbraw/zinc/14/77/05/154147705.db2.gz ZVPOKTMRIACBRB-OAQYLSRUSA-N 2 1 340.467 3.403 20 0 EGADMP COc1ccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000311074350 154147708 /nfs/dbraw/zinc/14/77/08/154147708.db2.gz ZVPOKTMRIACBRB-OAQYLSRUSA-N 2 1 340.467 3.403 20 0 EGADMP FC(F)(F)OCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000336655115 154209221 /nfs/dbraw/zinc/20/92/21/154209221.db2.gz FNNLOKXFDBXKDA-HRCADAONSA-N 2 1 328.378 3.023 20 0 EGADMP Brc1c[nH+]ccc1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336702554 154210142 /nfs/dbraw/zinc/21/01/42/154210142.db2.gz FEOYCGYMKVESIA-HNNXBMFYSA-N 2 1 346.272 3.200 20 0 EGADMP Brc1c[nH+]ccc1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336702554 154210148 /nfs/dbraw/zinc/21/01/48/154210148.db2.gz FEOYCGYMKVESIA-HNNXBMFYSA-N 2 1 346.272 3.200 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000337281384 154258061 /nfs/dbraw/zinc/25/80/61/154258061.db2.gz WGIFSQFGCGTXHA-OAHLLOKOSA-N 2 1 325.815 3.087 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000337383571 154324868 /nfs/dbraw/zinc/32/48/68/154324868.db2.gz KAIHGIXQFZQITH-RYQLBKOJSA-N 2 1 332.488 3.160 20 0 EGADMP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000339935443 155040500 /nfs/dbraw/zinc/04/05/00/155040500.db2.gz HGYIGGVEFVGTOT-QGZVFWFLSA-N 2 1 348.535 3.056 20 0 EGADMP CCCN(CC[NH+]1CCCCCC1)c1cncc(-n2cc[nH+]c2C)n1 ZINC000341022226 155125437 /nfs/dbraw/zinc/12/54/37/155125437.db2.gz AMBPVFUXVUODMJ-UHFFFAOYSA-N 2 1 342.491 3.063 20 0 EGADMP CCO[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C1(C)C ZINC000344178905 286490661 /nfs/dbraw/zinc/49/06/61/286490661.db2.gz WQVKDZDBMAWYNK-MSOLQXFVSA-N 2 1 338.536 3.203 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1OCC(C)C ZINC000346848907 156163194 /nfs/dbraw/zinc/16/31/94/156163194.db2.gz FOMFSRQGRWTBGJ-RCCFBDPRSA-N 2 1 332.488 3.289 20 0 EGADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000346967419 156220425 /nfs/dbraw/zinc/22/04/25/156220425.db2.gz DSCBBUQVUGONTL-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000346967419 156220428 /nfs/dbraw/zinc/22/04/28/156220428.db2.gz DSCBBUQVUGONTL-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000346967419 156220430 /nfs/dbraw/zinc/22/04/30/156220430.db2.gz DSCBBUQVUGONTL-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000346967419 156220433 /nfs/dbraw/zinc/22/04/33/156220433.db2.gz DSCBBUQVUGONTL-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000349002341 156313659 /nfs/dbraw/zinc/31/36/59/156313659.db2.gz PEEJSIRWHGZGDX-XMTFNYHQSA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000349002341 156313661 /nfs/dbraw/zinc/31/36/61/156313661.db2.gz PEEJSIRWHGZGDX-XMTFNYHQSA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000349002341 156313664 /nfs/dbraw/zinc/31/36/64/156313664.db2.gz PEEJSIRWHGZGDX-XMTFNYHQSA-N 2 1 337.552 3.265 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CCC2(CCC[N@H+]2C)CC1)c1ccccc1 ZINC000368727416 157273885 /nfs/dbraw/zinc/27/38/85/157273885.db2.gz JDFHDTHZRPOQNW-LJQANCHMSA-N 2 1 343.515 3.156 20 0 EGADMP C(CCCC[NH+]1CCCOCC1)CCCC[N@H+]1CCCOCC1 ZINC000368735123 157275134 /nfs/dbraw/zinc/27/51/34/157275134.db2.gz ZVGNREHJVODGFS-UHFFFAOYSA-N 2 1 326.525 3.162 20 0 EGADMP Cc1cn2c(n1)[C@@H](C[NH2+]C1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000372585517 157362982 /nfs/dbraw/zinc/36/29/82/157362982.db2.gz NQUWRGSBOONPOX-LJQANCHMSA-N 2 1 338.499 3.323 20 0 EGADMP COCCOc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093563720 162015860 /nfs/dbraw/zinc/01/58/60/162015860.db2.gz RHOZQNGVJXBPNZ-LJQANCHMSA-N 2 1 332.488 3.162 20 0 EGADMP COCCOc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093563720 162015862 /nfs/dbraw/zinc/01/58/62/162015862.db2.gz RHOZQNGVJXBPNZ-LJQANCHMSA-N 2 1 332.488 3.162 20 0 EGADMP COCCCOc1cccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000093660226 162019830 /nfs/dbraw/zinc/01/98/30/162019830.db2.gz CDLXILMTAPGDIT-IBGZPJMESA-N 2 1 334.504 3.408 20 0 EGADMP COCCCOc1cccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000093660226 162019832 /nfs/dbraw/zinc/01/98/32/162019832.db2.gz CDLXILMTAPGDIT-IBGZPJMESA-N 2 1 334.504 3.408 20 0 EGADMP COCCCOc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000093660226 162019834 /nfs/dbraw/zinc/01/98/34/162019834.db2.gz CDLXILMTAPGDIT-IBGZPJMESA-N 2 1 334.504 3.408 20 0 EGADMP COCCCOc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000093660226 162019836 /nfs/dbraw/zinc/01/98/36/162019836.db2.gz CDLXILMTAPGDIT-IBGZPJMESA-N 2 1 334.504 3.408 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000093769458 162025776 /nfs/dbraw/zinc/02/57/76/162025776.db2.gz VGEYAIRKWCFQAZ-UHFFFAOYSA-N 2 1 334.504 3.266 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)NC2CCCC2)C1 ZINC000113933997 162219706 /nfs/dbraw/zinc/21/97/06/162219706.db2.gz LQTXZHVSZFNDFV-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000113933997 162219708 /nfs/dbraw/zinc/21/97/08/162219708.db2.gz LQTXZHVSZFNDFV-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000113933997 162219711 /nfs/dbraw/zinc/21/97/11/162219711.db2.gz LQTXZHVSZFNDFV-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248401956 163000359 /nfs/dbraw/zinc/00/03/59/163000359.db2.gz MMVYPVXLEVAAER-QRFRQXIXSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248401956 163000362 /nfs/dbraw/zinc/00/03/62/163000362.db2.gz MMVYPVXLEVAAER-QRFRQXIXSA-N 2 1 343.515 3.059 20 0 EGADMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)o1 ZINC000248431983 163003846 /nfs/dbraw/zinc/00/38/46/163003846.db2.gz CJRGBLQSHBRNCX-LPHOPBHVSA-N 2 1 328.456 3.396 20 0 EGADMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)o1 ZINC000248431983 163003849 /nfs/dbraw/zinc/00/38/49/163003849.db2.gz CJRGBLQSHBRNCX-LPHOPBHVSA-N 2 1 328.456 3.396 20 0 EGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000354332553 166004366 /nfs/dbraw/zinc/00/43/66/166004366.db2.gz IIUCRVZLRZZTOA-RBUKOAKNSA-N 2 1 349.519 3.298 20 0 EGADMP Cc1cccc([C@H]2CCCCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000338314365 163209239 /nfs/dbraw/zinc/20/92/39/163209239.db2.gz IXIDFXLLFXLYRN-HXUWFJFHSA-N 2 1 343.515 3.076 20 0 EGADMP Cc1cccc([C@H]2CCCCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000338314365 163209242 /nfs/dbraw/zinc/20/92/42/163209242.db2.gz IXIDFXLLFXLYRN-HXUWFJFHSA-N 2 1 343.515 3.076 20 0 EGADMP CC(C)Oc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000343722646 164020318 /nfs/dbraw/zinc/02/03/18/164020318.db2.gz XHCVLIUNJMYYKR-GOSISDBHSA-N 2 1 345.531 3.074 20 0 EGADMP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343949495 164072152 /nfs/dbraw/zinc/07/21/52/164072152.db2.gz YVASAJLUDFZVJH-INIZCTEOSA-N 2 1 343.471 3.190 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](C)Cc3ccncc3)sc2C1 ZINC000344155282 164115897 /nfs/dbraw/zinc/11/58/97/164115897.db2.gz ZQHRMONQROBUBY-CQSZACIVSA-N 2 1 330.501 3.025 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](C)Cc3ccncc3)sc2C1 ZINC000344155282 164115899 /nfs/dbraw/zinc/11/58/99/164115899.db2.gz ZQHRMONQROBUBY-CQSZACIVSA-N 2 1 330.501 3.025 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000344234301 164132945 /nfs/dbraw/zinc/13/29/45/164132945.db2.gz OUURRPDKMQARFW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000344234301 164132947 /nfs/dbraw/zinc/13/29/47/164132947.db2.gz OUURRPDKMQARFW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000344234301 164132950 /nfs/dbraw/zinc/13/29/50/164132950.db2.gz OUURRPDKMQARFW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCCCC1 ZINC000345749509 164257754 /nfs/dbraw/zinc/25/77/54/164257754.db2.gz LDCZUUPFSNCSDR-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP CCc1cnc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000346117064 164340526 /nfs/dbraw/zinc/34/05/26/164340526.db2.gz ARHUHGCFEIAATL-GASCZTMLSA-N 2 1 337.533 3.027 20 0 EGADMP CCc1cnc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000346117064 164340527 /nfs/dbraw/zinc/34/05/27/164340527.db2.gz ARHUHGCFEIAATL-GASCZTMLSA-N 2 1 337.533 3.027 20 0 EGADMP C[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000346135007 164346390 /nfs/dbraw/zinc/34/63/90/164346390.db2.gz GDBPFZVJBJRUNB-MRXNPFEDSA-N 2 1 337.467 3.134 20 0 EGADMP C[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000346135007 164346391 /nfs/dbraw/zinc/34/63/91/164346391.db2.gz GDBPFZVJBJRUNB-MRXNPFEDSA-N 2 1 337.467 3.134 20 0 EGADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350949011 165086002 /nfs/dbraw/zinc/08/60/02/165086002.db2.gz JREQJIUIUIUOHE-LBPRGKRZSA-N 2 1 341.858 3.080 20 0 EGADMP CCN(C[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1)CC(F)(F)F ZINC000351327388 165097617 /nfs/dbraw/zinc/09/76/17/165097617.db2.gz KVJXCJIHUGJDPJ-JKSUJKDBSA-N 2 1 335.458 3.067 20 0 EGADMP CCN(C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1)CC(F)(F)F ZINC000351327388 165097619 /nfs/dbraw/zinc/09/76/19/165097619.db2.gz KVJXCJIHUGJDPJ-JKSUJKDBSA-N 2 1 335.458 3.067 20 0 EGADMP CCN(C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1)CC(F)(F)F ZINC000351327388 165097626 /nfs/dbraw/zinc/09/76/26/165097626.db2.gz KVJXCJIHUGJDPJ-JKSUJKDBSA-N 2 1 335.458 3.067 20 0 EGADMP C[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000360501581 167343541 /nfs/dbraw/zinc/34/35/41/167343541.db2.gz UPQORWKABPTJLZ-KRWDZBQOSA-N 2 1 345.531 3.295 20 0 EGADMP C[C@H](NC1CC[NH+](C2CCC2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000360501581 167343545 /nfs/dbraw/zinc/34/35/45/167343545.db2.gz UPQORWKABPTJLZ-KRWDZBQOSA-N 2 1 345.531 3.295 20 0 EGADMP c1csc(N2CCC([NH2+]C[C@@H]3CCC[N@H+]3C3CCCCC3)CC2)n1 ZINC000366637924 168126095 /nfs/dbraw/zinc/12/60/95/168126095.db2.gz ZJQCTFXIAQQOLG-SFHVURJKSA-N 2 1 348.560 3.499 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCSCc1ccccc1 ZINC000366833342 168146540 /nfs/dbraw/zinc/14/65/40/168146540.db2.gz KMCHPGXNCATZBL-QYZOEREBSA-N 2 1 334.529 3.103 20 0 EGADMP COCCCn1nccc1CN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000367120787 168181514 /nfs/dbraw/zinc/18/15/14/168181514.db2.gz ILWFYPJGOZZXFI-RTBURBONSA-N 2 1 348.535 3.006 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(-c2cc3ccccc3o2)n1 ZINC000367474331 168231839 /nfs/dbraw/zinc/23/18/39/168231839.db2.gz FDCDXMAPVYEEKU-OAHLLOKOSA-N 2 1 338.455 3.217 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(-c2cc3ccccc3o2)n1 ZINC000367474331 168231842 /nfs/dbraw/zinc/23/18/42/168231842.db2.gz FDCDXMAPVYEEKU-OAHLLOKOSA-N 2 1 338.455 3.217 20 0 EGADMP OCCC1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000367614938 168249769 /nfs/dbraw/zinc/24/97/69/168249769.db2.gz JGRZOYBSPISWIS-QHAWAJNXSA-N 2 1 342.527 3.429 20 0 EGADMP C[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367618398 168250684 /nfs/dbraw/zinc/25/06/84/168250684.db2.gz PIKVNCCYWSKJAG-AWEZNQCLSA-N 2 1 327.925 3.002 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C[C@@H]4CC=CCC4)CC3)C2)cc1 ZINC000367668658 168257072 /nfs/dbraw/zinc/25/70/72/168257072.db2.gz JDPGRISVHBHQND-IRLDBZIGSA-N 2 1 339.527 3.235 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262243495 287276436 /nfs/dbraw/zinc/27/64/36/287276436.db2.gz BZGGJRBUNWLRQW-HLIPFELVSA-N 2 1 343.515 3.195 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@H]2CCCOc3cc(C)ccc32)CC1 ZINC000159079581 225142157 /nfs/dbraw/zinc/14/21/57/225142157.db2.gz YJNXRROLVKWYFP-IBGZPJMESA-N 2 1 332.488 3.299 20 0 EGADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000121443677 221844585 /nfs/dbraw/zinc/84/45/85/221844585.db2.gz WSFHIWZWYHSTDA-HZPDHXFCSA-N 2 1 331.460 3.204 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000174226447 265034747 /nfs/dbraw/zinc/03/47/47/265034747.db2.gz RZJBWICCNOGBDK-PMACEKPBSA-N 2 1 348.531 3.015 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000174226447 265034749 /nfs/dbraw/zinc/03/47/49/265034749.db2.gz RZJBWICCNOGBDK-PMACEKPBSA-N 2 1 348.531 3.015 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000174226460 265035239 /nfs/dbraw/zinc/03/52/39/265035239.db2.gz RZJBWICCNOGBDK-UXHICEINSA-N 2 1 348.531 3.015 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000174226460 265035242 /nfs/dbraw/zinc/03/52/42/265035242.db2.gz RZJBWICCNOGBDK-UXHICEINSA-N 2 1 348.531 3.015 20 0 EGADMP CCC(CC)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC(C)C ZINC000177865918 265283009 /nfs/dbraw/zinc/28/30/09/265283009.db2.gz BVKPUNMPLHGWPZ-UHFFFAOYSA-N 2 1 325.541 3.122 20 0 EGADMP C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000189797298 265794253 /nfs/dbraw/zinc/79/42/53/265794253.db2.gz HQXAQPNWCISBNS-MRXNPFEDSA-N 2 1 348.539 3.293 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)C(C)(C)C[NH3+])C1CCCCC1 ZINC000237150965 266225268 /nfs/dbraw/zinc/22/52/68/266225268.db2.gz JNZCRAMIMDMREX-UHFFFAOYSA-N 2 1 331.504 3.052 20 0 EGADMP Cn1c(Cl)cnc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000272680668 266896176 /nfs/dbraw/zinc/89/61/76/266896176.db2.gz MWHMOVQZQPWGRO-UHFFFAOYSA-N 2 1 332.879 3.349 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)s1 ZINC000352733088 273803020 /nfs/dbraw/zinc/80/30/20/273803020.db2.gz QWVINDFEYMHDLX-NVXWUHKLSA-N 2 1 349.475 3.354 20 0 EGADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000181721883 274218760 /nfs/dbraw/zinc/21/87/60/274218760.db2.gz JEQXUAKVOINKNB-KBPBESRZSA-N 2 1 335.879 3.373 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000177697029 274310938 /nfs/dbraw/zinc/31/09/38/274310938.db2.gz MJNUEVFNMRVDTD-CBGDNZLLSA-N 2 1 345.506 3.303 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH+](C)C1CCCCC1)c1ccccc1 ZINC000110916583 275181864 /nfs/dbraw/zinc/18/18/64/275181864.db2.gz IRUHFCZSWDVTPJ-FQEVSTJZSA-N 2 1 345.531 3.450 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000110916583 275181865 /nfs/dbraw/zinc/18/18/65/275181865.db2.gz IRUHFCZSWDVTPJ-FQEVSTJZSA-N 2 1 345.531 3.450 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000110916583 275181866 /nfs/dbraw/zinc/18/18/66/275181866.db2.gz IRUHFCZSWDVTPJ-FQEVSTJZSA-N 2 1 345.531 3.450 20 0 EGADMP CC(C)C[NH+]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000179679638 275203143 /nfs/dbraw/zinc/20/31/43/275203143.db2.gz WUXGCQOCZPGICX-UHFFFAOYSA-N 2 1 331.548 3.418 20 0 EGADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279050939 275299394 /nfs/dbraw/zinc/29/93/94/275299394.db2.gz YBTMJUYGUDADMH-RDJZCZTQSA-N 2 1 335.455 3.290 20 0 EGADMP CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC000279169577 275309420 /nfs/dbraw/zinc/30/94/20/275309420.db2.gz UQKHUOVQAINBGJ-AWEZNQCLSA-N 2 1 349.438 3.385 20 0 EGADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000282978721 275688568 /nfs/dbraw/zinc/68/85/68/275688568.db2.gz DPLHNKAOTRSVAO-VQTJNVASSA-N 2 1 342.483 3.385 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000284358724 275794372 /nfs/dbraw/zinc/79/43/72/275794372.db2.gz DHNFSJGQPOXFOR-HNNXBMFYSA-N 2 1 335.249 3.090 20 0 EGADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000284400341 275797869 /nfs/dbraw/zinc/79/78/69/275797869.db2.gz PPUZOBCCQAKTEX-OSGQAZFXSA-N 2 1 325.456 3.236 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000343566596 276008618 /nfs/dbraw/zinc/00/86/18/276008618.db2.gz IKIZGHBMIILHRI-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000111039783 276076673 /nfs/dbraw/zinc/07/66/73/276076673.db2.gz MHOBGIHEKBVKML-HXUWFJFHSA-N 2 1 345.531 3.452 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH2+]C1CCCCC1)c1ccccc1 ZINC000345852077 276077954 /nfs/dbraw/zinc/07/79/54/276077954.db2.gz RFZFKZGVZIMOPY-IBGZPJMESA-N 2 1 331.504 3.108 20 0 EGADMP Cc1nn(C)c2sc([C@H](C)[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)cc12 ZINC000287221653 276098102 /nfs/dbraw/zinc/09/81/02/276098102.db2.gz XNTKMJMRYIMIFW-STQMWFEESA-N 2 1 329.473 3.053 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287287938 276104746 /nfs/dbraw/zinc/10/47/46/276104746.db2.gz BVAJYEALCJGTKY-ROUUACIJSA-N 2 1 341.503 3.286 20 0 EGADMP C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1nccn1CC(F)(F)F ZINC000288649150 276238101 /nfs/dbraw/zinc/23/81/01/276238101.db2.gz VAGFLOKFSHDVLD-CQSZACIVSA-N 2 1 340.393 3.056 20 0 EGADMP CCOc1ccccc1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288653989 276238417 /nfs/dbraw/zinc/23/84/17/276238417.db2.gz VGPFZBWFNNFMFA-UHFFFAOYSA-N 2 1 343.471 3.101 20 0 EGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000289173759 276299968 /nfs/dbraw/zinc/29/99/68/276299968.db2.gz HVQZCOOFTDLFAS-HXUWFJFHSA-N 2 1 341.499 3.290 20 0 EGADMP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289434605 276338575 /nfs/dbraw/zinc/33/85/75/276338575.db2.gz AEMKYMMRYKCECS-FQEVSTJZSA-N 2 1 340.515 3.429 20 0 EGADMP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289434605 276338576 /nfs/dbraw/zinc/33/85/76/276338576.db2.gz AEMKYMMRYKCECS-FQEVSTJZSA-N 2 1 340.515 3.429 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+]C(C)(C)Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000289594991 276363461 /nfs/dbraw/zinc/36/34/61/276363461.db2.gz SMYIAYRBFPAOGY-MRXNPFEDSA-N 2 1 344.421 3.071 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000289594991 276363462 /nfs/dbraw/zinc/36/34/62/276363462.db2.gz SMYIAYRBFPAOGY-MRXNPFEDSA-N 2 1 344.421 3.071 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000289663994 276374508 /nfs/dbraw/zinc/37/45/08/276374508.db2.gz CYDINWQYXKNAFD-NRFANRHFSA-N 2 1 348.531 3.181 20 0 EGADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000178140148 277150830 /nfs/dbraw/zinc/15/08/30/277150830.db2.gz KZEGYGASLJNBIE-MRXNPFEDSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C)c1ccccc1 ZINC000341974290 279042339 /nfs/dbraw/zinc/04/23/39/279042339.db2.gz PSBWYWFWJGMXBT-HSALFYBXSA-N 2 1 343.515 3.153 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C)c1ccccc1 ZINC000341974290 279042341 /nfs/dbraw/zinc/04/23/41/279042341.db2.gz PSBWYWFWJGMXBT-HSALFYBXSA-N 2 1 343.515 3.153 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)c1ccccc1 ZINC000341974290 279042344 /nfs/dbraw/zinc/04/23/44/279042344.db2.gz PSBWYWFWJGMXBT-HSALFYBXSA-N 2 1 343.515 3.153 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)c1ccccc1 ZINC000341974290 279042346 /nfs/dbraw/zinc/04/23/46/279042346.db2.gz PSBWYWFWJGMXBT-HSALFYBXSA-N 2 1 343.515 3.153 20 0 EGADMP C[C@H](C[NH+]1CCCCC1)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000151845143 279303432 /nfs/dbraw/zinc/30/34/32/279303432.db2.gz KEZPOZQBFQELEC-MSOLQXFVSA-N 2 1 333.520 3.152 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000359261001 280320909 /nfs/dbraw/zinc/32/09/09/280320909.db2.gz JDPCKLZZLBIZFI-SFHVURJKSA-N 2 1 329.444 3.447 20 0 EGADMP C[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249805415 289357001 /nfs/dbraw/zinc/35/70/01/289357001.db2.gz BDYJQOYQQALYMW-YYIAUSFCSA-N 2 1 349.544 3.263 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000151153949 290385032 /nfs/dbraw/zinc/38/50/32/290385032.db2.gz OGQKSEAGCNOQAI-PXNSSMCTSA-N 2 1 343.515 3.190 20 0 EGADMP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000178034166 295236509 /nfs/dbraw/zinc/23/65/09/295236509.db2.gz BONBVDDFVZDSHT-XHSDSOJGSA-N 2 1 338.467 3.374 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(C)cc2)CC1 ZINC000074319690 307392632 /nfs/dbraw/zinc/39/26/32/307392632.db2.gz UBQARNMJWVUNOR-UHFFFAOYSA-N 2 1 331.504 3.377 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(C)cc2)CC1 ZINC000074319690 307392634 /nfs/dbraw/zinc/39/26/34/307392634.db2.gz UBQARNMJWVUNOR-UHFFFAOYSA-N 2 1 331.504 3.377 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)nn1C ZINC000414280542 309070426 /nfs/dbraw/zinc/07/04/26/309070426.db2.gz DETFOMILBPAALW-CALCHBBNSA-N 2 1 340.515 3.496 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)nn1C ZINC000414280542 309070427 /nfs/dbraw/zinc/07/04/27/309070427.db2.gz DETFOMILBPAALW-CALCHBBNSA-N 2 1 340.515 3.496 20 0 EGADMP CC(C)(C)[C@H](CCO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248859216 308013445 /nfs/dbraw/zinc/01/34/45/308013445.db2.gz FQTJVTYERRLDQV-WCIQWLHISA-N 2 1 330.516 3.284 20 0 EGADMP COc1ccc(C[C@@H](C)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000248864623 308013723 /nfs/dbraw/zinc/01/37/23/308013723.db2.gz HJEWXOWKZKAKIC-AEFFLSMTSA-N 2 1 334.479 3.431 20 0 EGADMP CCOc1cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1OC(F)F ZINC000292875123 308074992 /nfs/dbraw/zinc/07/49/92/308074992.db2.gz WWDXRRNCBPJJBP-GOSISDBHSA-N 2 1 340.414 3.214 20 0 EGADMP CSc1ccc(NC(=O)[C@@H](C)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292874145 308075122 /nfs/dbraw/zinc/07/51/22/308075122.db2.gz DMFOBLTUIPYPMF-BEFAXECRSA-N 2 1 347.528 3.153 20 0 EGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)C2)C1 ZINC000293079374 308097270 /nfs/dbraw/zinc/09/72/70/308097270.db2.gz WCSHPNTWAZSHCS-GOSISDBHSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(=O)Nc3ccc(Cl)cc3)C2)C1 ZINC000293079374 308097271 /nfs/dbraw/zinc/09/72/71/308097271.db2.gz WCSHPNTWAZSHCS-GOSISDBHSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)Nc3ccc(Cl)cc3)C2)C1 ZINC000293079374 308097272 /nfs/dbraw/zinc/09/72/72/308097272.db2.gz WCSHPNTWAZSHCS-GOSISDBHSA-N 2 1 335.879 3.086 20 0 EGADMP CSc1cccc(NC(=O)[C@@H](C)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293087772 308098080 /nfs/dbraw/zinc/09/80/80/308098080.db2.gz WSZUXBBHGRUGHE-DNVCBOLYSA-N 2 1 347.528 3.153 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(C(=O)OC)cc1 ZINC000293767199 308160061 /nfs/dbraw/zinc/16/00/61/308160061.db2.gz PIPMHAOOWKFSMF-RDTXWAMCSA-N 2 1 329.444 3.355 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)s2)cn1 ZINC000293782447 308161253 /nfs/dbraw/zinc/16/12/53/308161253.db2.gz ZGVDAHSDSFMETJ-SFHVURJKSA-N 2 1 330.501 3.066 20 0 EGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)s2)cn1 ZINC000293782447 308161255 /nfs/dbraw/zinc/16/12/55/308161255.db2.gz ZGVDAHSDSFMETJ-SFHVURJKSA-N 2 1 330.501 3.066 20 0 EGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)s2)cn1 ZINC000293782447 308161257 /nfs/dbraw/zinc/16/12/57/308161257.db2.gz ZGVDAHSDSFMETJ-SFHVURJKSA-N 2 1 330.501 3.066 20 0 EGADMP Fc1ccc([C@@H]([NH2+]CCCCC[NH+]2CCCC2)c2ncc[nH]2)cc1 ZINC000293831425 308165827 /nfs/dbraw/zinc/16/58/27/308165827.db2.gz XBRFHNXZSAQQFA-GOSISDBHSA-N 2 1 330.451 3.494 20 0 EGADMP Cc1cnn(C)c1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293882655 308170967 /nfs/dbraw/zinc/17/09/67/308170967.db2.gz JVIOIYJSFPDBKL-UHFFFAOYSA-N 2 1 338.499 3.217 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294912490 308270726 /nfs/dbraw/zinc/27/07/26/308270726.db2.gz FAIKPYXMIBWUEM-IHWFROFDSA-N 2 1 337.467 3.472 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294912490 308270727 /nfs/dbraw/zinc/27/07/27/308270727.db2.gz FAIKPYXMIBWUEM-IHWFROFDSA-N 2 1 337.467 3.472 20 0 EGADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294921588 308271853 /nfs/dbraw/zinc/27/18/53/308271853.db2.gz FRIRQLNZOMNTID-VZHSDHNVSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294921588 308271854 /nfs/dbraw/zinc/27/18/54/308271854.db2.gz FRIRQLNZOMNTID-VZHSDHNVSA-N 3 1 327.516 3.112 20 0 EGADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294921588 308271855 /nfs/dbraw/zinc/27/18/55/308271855.db2.gz FRIRQLNZOMNTID-VZHSDHNVSA-N 3 1 327.516 3.112 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294921588 308271856 /nfs/dbraw/zinc/27/18/56/308271856.db2.gz FRIRQLNZOMNTID-VZHSDHNVSA-N 3 1 327.516 3.112 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294921588 308271857 /nfs/dbraw/zinc/27/18/57/308271857.db2.gz FRIRQLNZOMNTID-VZHSDHNVSA-N 3 1 327.516 3.112 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294921588 308271859 /nfs/dbraw/zinc/27/18/59/308271859.db2.gz FRIRQLNZOMNTID-VZHSDHNVSA-N 3 1 327.516 3.112 20 0 EGADMP CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(OCC[NH+](CC)CC)cc1 ZINC000295850224 308367006 /nfs/dbraw/zinc/36/70/06/308367006.db2.gz FZPPQENPIDSIDE-KRWDZBQOSA-N 2 1 344.503 3.474 20 0 EGADMP C[NH2+][C@H](C)Cc1noc([C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n1 ZINC000414653525 309093681 /nfs/dbraw/zinc/09/36/81/309093681.db2.gz XQBJCLLPRUHHSK-UKRRQHHQSA-N 2 1 343.475 3.194 20 0 EGADMP C[C@H]1C[C@@H](C[N@@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)CC[NH2+]1 ZINC000414694920 309095849 /nfs/dbraw/zinc/09/58/49/309095849.db2.gz TYDVUUUBPLKMMJ-HOTGVXAUSA-N 2 1 344.478 3.468 20 0 EGADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414695455 309095851 /nfs/dbraw/zinc/09/58/51/309095851.db2.gz GMCAOLDBMWQMOX-IEBWSBKVSA-N 2 1 330.520 3.008 20 0 EGADMP C[C@H]1C[C@H](C[N@@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)CC[NH2+]1 ZINC000414694922 309095768 /nfs/dbraw/zinc/09/57/68/309095768.db2.gz TYDVUUUBPLKMMJ-JKSUJKDBSA-N 2 1 344.478 3.468 20 0 EGADMP C[C@@H]1C[C@@H](C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000414723503 309097554 /nfs/dbraw/zinc/09/75/54/309097554.db2.gz POZILJIGTZSCNM-SOLBZPMBSA-N 3 1 333.545 3.080 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(c3cccc4cnccc43)C[C@H]2C)CC[NH2+]1 ZINC000414751036 309098765 /nfs/dbraw/zinc/09/87/65/309098765.db2.gz ZJCKGQSZVAKPMQ-KURKYZTESA-N 2 1 338.499 3.133 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)CC[NH2+]1 ZINC000414750725 309098870 /nfs/dbraw/zinc/09/88/70/309098870.db2.gz RKAIZXJGRPOZJA-BBHZHJQOSA-N 2 1 343.298 3.271 20 0 EGADMP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414778818 309100424 /nfs/dbraw/zinc/10/04/24/309100424.db2.gz JIXRAVAMMAIZHT-KGLIPLIRSA-N 2 1 346.425 3.176 20 0 EGADMP Brc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414783609 309100785 /nfs/dbraw/zinc/10/07/85/309100785.db2.gz QDJCQQJWDXVZMY-VXGBXAGGSA-N 2 1 329.307 3.332 20 0 EGADMP FC(F)(F)Oc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414783189 309100888 /nfs/dbraw/zinc/10/08/88/309100888.db2.gz PNUSGQNTZLNWJC-KBPBESRZSA-N 2 1 328.378 3.407 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414787728 309101098 /nfs/dbraw/zinc/10/10/98/309101098.db2.gz VXLDJJKJICNICF-LSDHHAIUSA-N 2 1 340.414 3.118 20 0 EGADMP FC(F)(F)c1cc(Br)ccc1C[NH2+]C1CC[NH2+]CC1 ZINC000414785328 309101119 /nfs/dbraw/zinc/10/11/19/309101119.db2.gz VDELHRQCOSUNAZ-UHFFFAOYSA-N 2 1 337.183 3.310 20 0 EGADMP Fc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414788920 309101319 /nfs/dbraw/zinc/10/13/19/309101319.db2.gz XNAVEFOMFSWTMU-KGLIPLIRSA-N 2 1 328.378 3.249 20 0 EGADMP Fc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414788925 309101347 /nfs/dbraw/zinc/10/13/47/309101347.db2.gz XNAVEFOMFSWTMU-UONOGXRCSA-N 2 1 328.378 3.249 20 0 EGADMP CCOCc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414789206 309101457 /nfs/dbraw/zinc/10/14/57/309101457.db2.gz XZLMQOSKSWMKFZ-MSOLQXFVSA-N 2 1 332.488 3.053 20 0 EGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000414795195 309102014 /nfs/dbraw/zinc/10/20/14/309102014.db2.gz WROXMPGZHZDXTI-UHFFFAOYSA-N 2 1 326.488 3.071 20 0 EGADMP CCOc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)ccc1OCC(F)(F)F ZINC000414806543 309102622 /nfs/dbraw/zinc/10/26/22/309102622.db2.gz ZPJSUHYXVUTTFH-ZDUSSCGKSA-N 2 1 334.382 3.099 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414812652 309103176 /nfs/dbraw/zinc/10/31/76/309103176.db2.gz LDWJJTSGURKMIK-HNNXBMFYSA-N 2 1 337.895 3.052 20 0 EGADMP OCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccco1 ZINC000411545064 308943595 /nfs/dbraw/zinc/94/35/95/308943595.db2.gz PSKKJMNPLLWGRC-LJQANCHMSA-N 2 1 328.456 3.479 20 0 EGADMP c1cc(CSCC[NH+]2CCOCC2)cc(C[NH+]2CCCCC2)c1 ZINC000412988138 309011097 /nfs/dbraw/zinc/01/10/97/309011097.db2.gz KVCTZONPCCQVJG-UHFFFAOYSA-N 2 1 334.529 3.238 20 0 EGADMP COc1ccc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc1OCc1cccnc1 ZINC000414853733 309105686 /nfs/dbraw/zinc/10/56/86/309105686.db2.gz SWESLAPSFXAWNY-GOSISDBHSA-N 2 1 343.471 3.132 20 0 EGADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc(Cl)c1OC ZINC000414856805 309106054 /nfs/dbraw/zinc/10/60/54/309106054.db2.gz ZQBXPVFEIYQHDM-HNNXBMFYSA-N 2 1 326.868 3.354 20 0 EGADMP C[C@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C)[C@H]1CCC[NH2+]C1 ZINC000414862952 309106096 /nfs/dbraw/zinc/10/60/96/309106096.db2.gz XSUWANKPOUMXQW-RYUDHWBXSA-N 2 1 340.393 3.070 20 0 EGADMP COc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1OCc1ccc(F)cc1 ZINC000414884598 309107177 /nfs/dbraw/zinc/10/71/77/309107177.db2.gz FTDRSAVBKAAIFF-SFHVURJKSA-N 2 1 344.430 3.240 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000414896239 309107920 /nfs/dbraw/zinc/10/79/20/309107920.db2.gz BEJCFFSPYHMWHL-MRXNPFEDSA-N 2 1 341.459 3.010 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414928384 309109607 /nfs/dbraw/zinc/10/96/07/309109607.db2.gz BAAOKSYUUXXPGB-BLLLJJGKSA-N 2 1 332.879 3.373 20 0 EGADMP CCc1ncc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000415005036 309113701 /nfs/dbraw/zinc/11/37/01/309113701.db2.gz OOTCOARUZBFAMT-WMLDXEAASA-N 2 1 333.476 3.328 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)s2)cn1 ZINC000415032817 309115444 /nfs/dbraw/zinc/11/54/44/309115444.db2.gz AXEMTXOFJWUFBI-RHSMWYFYSA-N 2 1 330.501 3.113 20 0 EGADMP CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000415080313 309118907 /nfs/dbraw/zinc/11/89/07/309118907.db2.gz IWGOXIZXUCFOBT-UXHICEINSA-N 2 1 343.515 3.106 20 0 EGADMP c1ccc([C@H]2C[C@@H]([NH2+]CCc3ccc4c(c3)OCCO4)CC[NH2+]2)cc1 ZINC000415088980 309119446 /nfs/dbraw/zinc/11/94/46/309119446.db2.gz VZDKXGNWQYBVDD-RBUKOAKNSA-N 2 1 338.451 3.083 20 0 EGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3csc(-c4ccco4)n3)CC2)C1 ZINC000415124731 309122061 /nfs/dbraw/zinc/12/20/61/309122061.db2.gz NFLUIVIRYAQFBG-PBHICJAKSA-N 2 1 347.484 3.121 20 0 EGADMP Clc1ccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(Cl)c1 ZINC000415133089 309122934 /nfs/dbraw/zinc/12/29/34/309122934.db2.gz MLCKCAOACVHMRG-ZBFHGGJFSA-N 2 1 341.282 3.194 20 0 EGADMP Clc1ccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(Cl)c1 ZINC000415133089 309122935 /nfs/dbraw/zinc/12/29/35/309122935.db2.gz MLCKCAOACVHMRG-ZBFHGGJFSA-N 2 1 341.282 3.194 20 0 EGADMP CCc1cccc(Cl)c1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415145084 309123463 /nfs/dbraw/zinc/12/34/63/309123463.db2.gz WNEQGFVGBGDUSX-AEFFLSMTSA-N 2 1 334.891 3.103 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415923968 309148949 /nfs/dbraw/zinc/14/89/49/309148949.db2.gz XIWMHVOLVGAAEK-GOSISDBHSA-N 2 1 332.492 3.182 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000415932140 309149513 /nfs/dbraw/zinc/14/95/13/309149513.db2.gz MIQHDBLHHWEWBR-MRXNPFEDSA-N 2 1 344.503 3.134 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415966556 309151775 /nfs/dbraw/zinc/15/17/75/309151775.db2.gz ADNGIRNOFPCIQQ-HNNXBMFYSA-N 2 1 332.492 3.167 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415988494 309153274 /nfs/dbraw/zinc/15/32/74/309153274.db2.gz CXCGVRSBQCKLDG-SFHVURJKSA-N 2 1 330.476 3.066 20 0 EGADMP [NH3+]C[C@H]1CC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000420294258 309279949 /nfs/dbraw/zinc/27/99/49/309279949.db2.gz OHOSCKBBYVUMRM-GFCCVEGCSA-N 2 1 346.887 3.497 20 0 EGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000420294258 309279950 /nfs/dbraw/zinc/27/99/50/309279950.db2.gz OHOSCKBBYVUMRM-GFCCVEGCSA-N 2 1 346.887 3.497 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@H](C)Cc2ccccc2OC)cc1 ZINC000420299842 309280089 /nfs/dbraw/zinc/28/00/89/309280089.db2.gz JOEONXUVJCULCU-APWZRJJASA-N 2 1 342.483 3.309 20 0 EGADMP CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(Cl)cc1 ZINC000420302569 309280404 /nfs/dbraw/zinc/28/04/04/309280404.db2.gz MRDPGBOKILMBAC-HNNXBMFYSA-N 2 1 337.895 3.380 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420306869 309280703 /nfs/dbraw/zinc/28/07/03/309280703.db2.gz BCRXQQLYXKUWRD-SVFBPWRDSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000420306869 309280704 /nfs/dbraw/zinc/28/07/04/309280704.db2.gz BCRXQQLYXKUWRD-SVFBPWRDSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000420306869 309280705 /nfs/dbraw/zinc/28/07/05/309280705.db2.gz BCRXQQLYXKUWRD-SVFBPWRDSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2CCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000420306869 309280706 /nfs/dbraw/zinc/28/07/06/309280706.db2.gz BCRXQQLYXKUWRD-SVFBPWRDSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2CCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000420306869 309280707 /nfs/dbraw/zinc/28/07/07/309280707.db2.gz BCRXQQLYXKUWRD-SVFBPWRDSA-N 3 1 329.532 3.361 20 0 EGADMP C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@H]1CCC[NH2+]C1 ZINC000420317159 309281477 /nfs/dbraw/zinc/28/14/77/309281477.db2.gz NLNMALVUVWVBJF-MRXNPFEDSA-N 2 1 344.478 3.470 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420325299 309282257 /nfs/dbraw/zinc/28/22/57/309282257.db2.gz BKXZBEIYMKRASF-ZACQAIPSSA-N 2 1 329.488 3.068 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340654 309283209 /nfs/dbraw/zinc/28/32/09/309283209.db2.gz NBKQFLYEIDBEJU-SJORKVTESA-N 2 1 329.488 3.070 20 0 EGADMP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420370174 309284807 /nfs/dbraw/zinc/28/48/07/309284807.db2.gz YPKNMCQQRJTJGH-PCCBWWKXSA-N 2 1 344.474 3.386 20 0 EGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420370886 309284863 /nfs/dbraw/zinc/28/48/63/309284863.db2.gz CZGITFHBGQHMTO-KXBFYZLASA-N 2 1 341.503 3.432 20 0 EGADMP Cc1ccc(-c2noc(CCC[NH2+][C@H]3[C@@H](C)[NH2+]CC[C@@H]3C)n2)cc1F ZINC000420379180 309285253 /nfs/dbraw/zinc/28/52/53/309285253.db2.gz XMPMNXOFPLWEMZ-PMUMKWKESA-N 2 1 346.450 3.093 20 0 EGADMP CC(C)(C)c1csc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC000420390204 309285937 /nfs/dbraw/zinc/28/59/37/309285937.db2.gz YZIFJICMPNAQBY-WMLDXEAASA-N 2 1 337.533 3.159 20 0 EGADMP c1ccc(C[C@@H]2CC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420902945 309300008 /nfs/dbraw/zinc/30/00/08/309300008.db2.gz AJKMEJCSMMVNDG-QFIPXVFZSA-N 2 1 336.479 3.336 20 0 EGADMP c1ccc(C[C@@H]2CC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420902945 309300009 /nfs/dbraw/zinc/30/00/09/309300009.db2.gz AJKMEJCSMMVNDG-QFIPXVFZSA-N 2 1 336.479 3.336 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCc3ccc(C)cc3)CC2)CC1 ZINC000420984713 309305976 /nfs/dbraw/zinc/30/59/76/309305976.db2.gz UMEWFRPTAGSKOZ-UHFFFAOYSA-N 2 1 329.532 3.030 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(OC)c1OC ZINC000422698292 309363711 /nfs/dbraw/zinc/36/37/11/309363711.db2.gz YNRVEDFGMUWXNJ-GVDBMIGSSA-N 2 1 348.487 3.113 20 0 EGADMP CC[C@@H]([NH2+]CCc1cc(Br)ccc1F)[C@@H]1CCC[NH2+]1 ZINC000422702226 309363800 /nfs/dbraw/zinc/36/38/00/309363800.db2.gz KHORUDOGVZNOCQ-CABCVRRESA-N 2 1 329.257 3.251 20 0 EGADMP C[NH+](C)CCCOc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422708889 309364053 /nfs/dbraw/zinc/36/40/53/309364053.db2.gz CHTJLPUCOSBJQC-PWRODBHTSA-N 2 1 345.531 3.027 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](c1c(F)cccc1F)N(C)C ZINC000422745342 309366209 /nfs/dbraw/zinc/36/62/09/309366209.db2.gz MDJFWIIBRRUQSX-JVPBZIDWSA-N 2 1 347.453 3.116 20 0 EGADMP COC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422762082 309366903 /nfs/dbraw/zinc/36/69/03/309366903.db2.gz NMULSOORNBMEMO-NOLJZWGESA-N 2 1 330.394 3.371 20 0 EGADMP CCCC[NH+]1CCC([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422794731 309368635 /nfs/dbraw/zinc/36/86/35/309368635.db2.gz ZEVLZOFXYDTPDC-CTNGQTDRSA-N 3 1 343.515 3.096 20 0 EGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC2CCCC2)c1 ZINC000422822228 309370260 /nfs/dbraw/zinc/37/02/60/309370260.db2.gz JMBBFXDHWIDZCP-SJPCQFCGSA-N 2 1 330.472 3.389 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)cc2)C1 ZINC000422859340 309372463 /nfs/dbraw/zinc/37/24/63/309372463.db2.gz JUXDESFOICQSHZ-DBXWQHBBSA-N 3 1 329.532 3.396 20 0 EGADMP CCOc1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1OC(F)F ZINC000422871717 309372992 /nfs/dbraw/zinc/37/29/92/309372992.db2.gz DILHCKFDJWRBHW-JSGCOSHPSA-N 2 1 328.403 3.164 20 0 EGADMP CC[C@@H]([NH2+][C@@H]1CCN(c2cc(Cl)ccc2OC)C1)[C@@H]1CCC[NH2+]1 ZINC000422910887 309375903 /nfs/dbraw/zinc/37/59/03/309375903.db2.gz RTCILSKSFMTCEI-OAGGEKHMSA-N 2 1 337.895 3.048 20 0 EGADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422926649 309376395 /nfs/dbraw/zinc/37/63/95/309376395.db2.gz XFSRKEIVNNUDPP-LPWQTFTOSA-N 2 1 331.504 3.225 20 0 EGADMP c1cnc(OC2CCCC2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422969199 309378989 /nfs/dbraw/zinc/37/89/89/309378989.db2.gz ZBWWOGVVJMIIPK-GUDVDZBRSA-N 2 1 329.488 3.413 20 0 EGADMP COCCCOc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423005755 309380591 /nfs/dbraw/zinc/38/05/91/309380591.db2.gz SQUBJKPRSATHNO-WOJBJXKFSA-N 2 1 326.440 3.336 20 0 EGADMP C[C@H](NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000423022486 309381605 /nfs/dbraw/zinc/38/16/05/309381605.db2.gz HTBKJNOQPHJDDH-WPPQDWHVSA-N 2 1 339.886 3.202 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000423022486 309381607 /nfs/dbraw/zinc/38/16/07/309381607.db2.gz HTBKJNOQPHJDDH-WPPQDWHVSA-N 2 1 339.886 3.202 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000423036572 309382201 /nfs/dbraw/zinc/38/22/01/309382201.db2.gz APXSXJWUZAIWND-BFQNTYOBSA-N 2 1 328.287 3.302 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000423061584 309383665 /nfs/dbraw/zinc/38/36/65/309383665.db2.gz LBTBARFZAMXZCB-IPYPFGDCSA-N 2 1 327.394 3.014 20 0 EGADMP Fc1ccc(CCCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423062561 309383683 /nfs/dbraw/zinc/38/36/83/309383683.db2.gz NCZTWIXRTPDSQI-VAMGGRTRSA-N 2 1 334.479 3.285 20 0 EGADMP CN1C[C@H](C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)Cc2ccccc21 ZINC000423060891 309383704 /nfs/dbraw/zinc/38/37/04/309383704.db2.gz PPMMXNNSKZNJBR-YYWHXJBOSA-N 2 1 335.495 3.378 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000423066883 309384086 /nfs/dbraw/zinc/38/40/86/309384086.db2.gz FQLARQCVSANEQV-OSAQELSMSA-N 2 1 328.287 3.302 20 0 EGADMP Fc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)c1 ZINC000423093826 309385618 /nfs/dbraw/zinc/38/56/18/309385618.db2.gz IOOQLRGFMMMBSW-DABHTEOTSA-N 2 1 332.463 3.209 20 0 EGADMP OC[C@H](C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1Cl ZINC000423133693 309387703 /nfs/dbraw/zinc/38/77/03/309387703.db2.gz VWQXJCZUMZXZEC-ABSDTBQOSA-N 2 1 344.886 3.499 20 0 EGADMP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423208814 309390454 /nfs/dbraw/zinc/39/04/54/309390454.db2.gz HYNIWHWYDKCOFS-YGRLFVJLSA-N 2 1 327.241 3.165 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c(C)c1OC ZINC000423258799 309392854 /nfs/dbraw/zinc/39/28/54/309392854.db2.gz CKVXNGCBLYQFPI-KSSFIOAISA-N 2 1 334.504 3.440 20 0 EGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423263042 309392940 /nfs/dbraw/zinc/39/29/40/309392940.db2.gz ALXUYJSXQRGSHM-QILLFSRXSA-N 2 1 338.467 3.408 20 0 EGADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423322630 309395115 /nfs/dbraw/zinc/39/51/15/309395115.db2.gz NZTHMYZOEKFSPP-QANKJYHBSA-N 2 1 336.451 3.162 20 0 EGADMP CC(C)[C@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H](C)[NH3+] ZINC000423335137 309395789 /nfs/dbraw/zinc/39/57/89/309395789.db2.gz PNWFSAGYLGUJMP-UWVAXJGDSA-N 2 1 345.531 3.154 20 0 EGADMP CCCN(C(=O)CC1(C[NH3+])CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000423333347 309395851 /nfs/dbraw/zinc/39/58/51/309395851.db2.gz RLRLFRFTNYRNTN-IBGZPJMESA-N 2 1 343.515 3.019 20 0 EGADMP C[NH2+]CC1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000430939956 309621587 /nfs/dbraw/zinc/62/15/87/309621587.db2.gz NEZNFQNVPZNMTL-UHFFFAOYSA-N 2 1 329.513 3.360 20 0 EGADMP Cc1sc2[nH]c([C@@H](C)[NH+]3CCC4(CC[NH2+]C4)CC3)nc(=O)c2c1C ZINC000431031795 309623820 /nfs/dbraw/zinc/62/38/20/309623820.db2.gz DFONDFBFKPLTKR-GFCCVEGCSA-N 2 1 346.500 3.150 20 0 EGADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449022996 310030114 /nfs/dbraw/zinc/03/01/14/310030114.db2.gz MJSDDULLJYNILU-IBGZPJMESA-N 2 1 327.472 3.035 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnn2C2CCCC2)[C@H](C)C1 ZINC000449141350 310039825 /nfs/dbraw/zinc/03/98/25/310039825.db2.gz PUZAOQLJIJCJMT-YLJYHZDGSA-N 2 1 348.535 3.225 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccnn2C2CCCC2)[C@H](C)C1 ZINC000449141350 310039826 /nfs/dbraw/zinc/03/98/26/310039826.db2.gz PUZAOQLJIJCJMT-YLJYHZDGSA-N 2 1 348.535 3.225 20 0 EGADMP C[C@@H](Cc1coc2ccccc12)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000449148243 310040264 /nfs/dbraw/zinc/04/02/64/310040264.db2.gz JHMPKWFAQJACPA-FUHWJXTLSA-N 2 1 330.472 3.190 20 0 EGADMP COc1ccc(-n2cc(C[NH2+]CC(C)(C)C[NH+]3CCCC3)cn2)cc1 ZINC000449285410 310050086 /nfs/dbraw/zinc/05/00/86/310050086.db2.gz QJRHSXBAODUYHJ-UHFFFAOYSA-N 2 1 342.487 3.093 20 0 EGADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000449449599 310062775 /nfs/dbraw/zinc/06/27/75/310062775.db2.gz MANGONUAQPXTFU-GSEOLPGOSA-N 2 1 330.516 3.426 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](C)[C@@H](Cc2ccccc2)C1 ZINC000450940657 310150984 /nfs/dbraw/zinc/15/09/84/310150984.db2.gz MCCBGNCWXTUJSM-SFTDATJTSA-N 2 1 329.532 3.108 20 0 EGADMP c1nc(CC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000451044969 310157450 /nfs/dbraw/zinc/15/74/50/310157450.db2.gz CHUDNQDZZRLMAA-ROUUACIJSA-N 2 1 327.497 3.140 20 0 EGADMP c1nc(CC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000451044969 310157451 /nfs/dbraw/zinc/15/74/51/310157451.db2.gz CHUDNQDZZRLMAA-ROUUACIJSA-N 2 1 327.497 3.140 20 0 EGADMP c1nc(CC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000451044969 310157452 /nfs/dbraw/zinc/15/74/52/310157452.db2.gz CHUDNQDZZRLMAA-ROUUACIJSA-N 2 1 327.497 3.140 20 0 EGADMP CCO[C@@H]1CC[N@@H+](C/C=C\C[NH+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000451522006 310182529 /nfs/dbraw/zinc/18/25/29/310182529.db2.gz ALLZICXHAXKQMF-CTZAXXLQSA-N 2 1 338.536 3.036 20 0 EGADMP CCO[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000451522006 310182530 /nfs/dbraw/zinc/18/25/30/310182530.db2.gz ALLZICXHAXKQMF-CTZAXXLQSA-N 2 1 338.536 3.036 20 0 EGADMP CCO[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000451522006 310182531 /nfs/dbraw/zinc/18/25/31/310182531.db2.gz ALLZICXHAXKQMF-CTZAXXLQSA-N 2 1 338.536 3.036 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453080670 310256676 /nfs/dbraw/zinc/25/66/76/310256676.db2.gz FQPTWYNHGKVMCB-QZTJIDSGSA-N 2 1 333.863 3.225 20 0 EGADMP COCCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453095496 310257575 /nfs/dbraw/zinc/25/75/75/310257575.db2.gz SQDWEIFCTHJONS-NJDAHSKKSA-N 2 1 346.515 3.072 20 0 EGADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1ccccc1 ZINC000453109406 310258540 /nfs/dbraw/zinc/25/85/40/310258540.db2.gz PKXBMAWTDMATFR-NZSAHSFTSA-N 2 1 342.487 3.188 20 0 EGADMP CC(C)(CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453119220 310259308 /nfs/dbraw/zinc/25/93/08/310259308.db2.gz MBINUWVITYWPCC-ZCNNSNEGSA-N 2 1 330.516 3.428 20 0 EGADMP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453127726 310259846 /nfs/dbraw/zinc/25/98/46/310259846.db2.gz LXCNVQSASNTHMQ-WLRLJWMZSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453137754 310260366 /nfs/dbraw/zinc/26/03/66/310260366.db2.gz CUYXEFXRFAVPSS-UYVXCEDXSA-N 2 1 348.556 3.176 20 0 EGADMP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453137754 310260367 /nfs/dbraw/zinc/26/03/67/310260367.db2.gz CUYXEFXRFAVPSS-UYVXCEDXSA-N 2 1 348.556 3.176 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000453166958 310261907 /nfs/dbraw/zinc/26/19/07/310261907.db2.gz HXPLQRGMEIFCPZ-QWFCFKBJSA-N 2 1 338.499 3.298 20 0 EGADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@H](C3CC3)C3CCC3)C2)cc1 ZINC000453212194 310264473 /nfs/dbraw/zinc/26/44/73/310264473.db2.gz NYFARKVONBMAIY-SFTDATJTSA-N 2 1 328.500 3.446 20 0 EGADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@H](C3CC3)C3CCC3)C2)cc1 ZINC000453212194 310264474 /nfs/dbraw/zinc/26/44/74/310264474.db2.gz NYFARKVONBMAIY-SFTDATJTSA-N 2 1 328.500 3.446 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)n(C)n1 ZINC000453222286 310264897 /nfs/dbraw/zinc/26/48/97/310264897.db2.gz YMOJTDRCZSLWMR-HBMCJLEFSA-N 2 1 338.499 3.261 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)n(C)n1 ZINC000453222286 310264898 /nfs/dbraw/zinc/26/48/98/310264898.db2.gz YMOJTDRCZSLWMR-HBMCJLEFSA-N 2 1 338.499 3.261 20 0 EGADMP C[C@H](NCC[N@H+]1CCCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000453401624 310275193 /nfs/dbraw/zinc/27/51/93/310275193.db2.gz PJQPVCBDVXNUAQ-KRWDZBQOSA-N 2 1 333.520 3.152 20 0 EGADMP C[C@H]([NH2+]CCN1CCCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000453401624 310275194 /nfs/dbraw/zinc/27/51/94/310275194.db2.gz PJQPVCBDVXNUAQ-KRWDZBQOSA-N 2 1 333.520 3.152 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455852019 310379534 /nfs/dbraw/zinc/37/95/34/310379534.db2.gz LSUYSYQJLCDJTN-PKOBYXMFSA-N 2 1 344.503 3.231 20 0 EGADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455894381 310381545 /nfs/dbraw/zinc/38/15/45/310381545.db2.gz CVOMICSPZHUWGZ-ZMYBRWDISA-N 2 1 344.503 3.086 20 0 EGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455915662 310382235 /nfs/dbraw/zinc/38/22/35/310382235.db2.gz KNQRSPPYIVTENS-DNVCBOLYSA-N 2 1 344.503 3.041 20 0 EGADMP C[NH+](C)[C@@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccccc1 ZINC000456260349 310395342 /nfs/dbraw/zinc/39/53/42/310395342.db2.gz FMNMJLXPQFOYDN-WOJBJXKFSA-N 2 1 337.467 3.477 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000459383120 310548789 /nfs/dbraw/zinc/54/87/89/310548789.db2.gz FHMLPLNBMJBMPX-ZDUSSCGKSA-N 2 1 332.517 3.403 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)c1ccccc1 ZINC000482140080 310926719 /nfs/dbraw/zinc/92/67/19/310926719.db2.gz VZDMBZWVEVKBLX-IEBWSBKVSA-N 2 1 331.504 3.140 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C)c1 ZINC000482135869 310926806 /nfs/dbraw/zinc/92/68/06/310926806.db2.gz OJKAGILFNUWGED-MJGOQNOKSA-N 2 1 331.504 3.424 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(C)cc1 ZINC000482147549 310927151 /nfs/dbraw/zinc/92/71/51/310927151.db2.gz XJNTYBZYGVTPJR-UXHICEINSA-N 2 1 345.531 3.101 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)N1CCCCCC1 ZINC000482155441 310927440 /nfs/dbraw/zinc/92/74/40/310927440.db2.gz ZHNQEDVQNICLFV-GBESFXJTSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000505611624 312028038 /nfs/dbraw/zinc/02/80/38/312028038.db2.gz MBDBIONPGHCWJU-MJGOQNOKSA-N 2 1 345.531 3.216 20 0 EGADMP COCC[NH+]1CCC(Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)CC1 ZINC000507450183 312072639 /nfs/dbraw/zinc/07/26/39/312072639.db2.gz POWAVXCKOICETL-KRWDZBQOSA-N 2 1 346.519 3.292 20 0 EGADMP CC[C@H]1CCCC[N@H+]1CCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000507507892 312075574 /nfs/dbraw/zinc/07/55/74/312075574.db2.gz IIDUFGRZNJDBLV-INIZCTEOSA-N 2 1 335.458 3.257 20 0 EGADMP C[C@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000508191085 312090506 /nfs/dbraw/zinc/09/05/06/312090506.db2.gz ARNLJVHZEXINND-GUDVDZBRSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000510961729 312151823 /nfs/dbraw/zinc/15/18/23/312151823.db2.gz NLPOCLGBVPYVOG-HOTGVXAUSA-N 2 1 340.458 3.376 20 0 EGADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000510961729 312151825 /nfs/dbraw/zinc/15/18/25/312151825.db2.gz NLPOCLGBVPYVOG-HOTGVXAUSA-N 2 1 340.458 3.376 20 0 EGADMP CCCCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)CCC ZINC000512059112 312174532 /nfs/dbraw/zinc/17/45/32/312174532.db2.gz QKVRCKXTBDBTJJ-GOSISDBHSA-N 2 1 347.551 3.409 20 0 EGADMP CCCCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)CCC ZINC000512059112 312174534 /nfs/dbraw/zinc/17/45/34/312174534.db2.gz QKVRCKXTBDBTJJ-GOSISDBHSA-N 2 1 347.551 3.409 20 0 EGADMP CC[NH+](CC)CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512631406 312191288 /nfs/dbraw/zinc/19/12/88/312191288.db2.gz QRNHAKMSLHHXBY-NJDAHSKKSA-N 2 1 329.532 3.219 20 0 EGADMP CCN(CC)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512631406 312191289 /nfs/dbraw/zinc/19/12/89/312191289.db2.gz QRNHAKMSLHHXBY-NJDAHSKKSA-N 2 1 329.532 3.219 20 0 EGADMP CCN(CC)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512631406 312191290 /nfs/dbraw/zinc/19/12/90/312191290.db2.gz QRNHAKMSLHHXBY-NJDAHSKKSA-N 2 1 329.532 3.219 20 0 EGADMP CCn1nccc1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513513241 312212295 /nfs/dbraw/zinc/21/22/95/312212295.db2.gz SBVYNFZZVMHZLY-PKOBYXMFSA-N 2 1 326.488 3.293 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000516942139 312352497 /nfs/dbraw/zinc/35/24/97/312352497.db2.gz BZPTXZLEKPEYTD-MRXNPFEDSA-N 2 1 340.471 3.097 20 0 EGADMP CCc1nccn1[C@@H]1CCC[N@H+]([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000528375714 313077363 /nfs/dbraw/zinc/07/73/63/313077363.db2.gz CSFUOTIRDNMGIC-QZTJIDSGSA-N 2 1 344.503 3.016 20 0 EGADMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000528375714 313077369 /nfs/dbraw/zinc/07/73/69/313077369.db2.gz CSFUOTIRDNMGIC-QZTJIDSGSA-N 2 1 344.503 3.016 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccc(F)cn1 ZINC000529532906 313345885 /nfs/dbraw/zinc/34/58/85/313345885.db2.gz PVKMJYMHENGTNL-UHFFFAOYSA-N 2 1 331.435 3.231 20 0 EGADMP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccsc1 ZINC000531710464 313704388 /nfs/dbraw/zinc/70/43/88/313704388.db2.gz NPWGXKIVIBYEKT-QFBILLFUSA-N 2 1 329.513 3.387 20 0 EGADMP Cc1ccncc1[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000536770497 314144255 /nfs/dbraw/zinc/14/42/55/314144255.db2.gz DNPPWGQXNQQJGR-SJLPKXTDSA-N 2 1 344.528 3.091 20 0 EGADMP Cc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000537180239 314166053 /nfs/dbraw/zinc/16/60/53/314166053.db2.gz IYEFTKGWFWDZNF-SFHVURJKSA-N 2 1 329.513 3.135 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H](Nc2ccc(N(CC)CC)nc2)[C@H](C)C1 ZINC000537455262 314182086 /nfs/dbraw/zinc/18/20/86/314182086.db2.gz BPROTGPKNGJDFC-IEBWSBKVSA-N 2 1 348.535 3.477 20 0 EGADMP COc1nc2ccccc2cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000538798334 314276623 /nfs/dbraw/zinc/27/66/23/314276623.db2.gz AENVRWFQBPRLIP-QFBILLFUSA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000538798334 314276626 /nfs/dbraw/zinc/27/66/26/314276626.db2.gz AENVRWFQBPRLIP-QFBILLFUSA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000538798334 314276631 /nfs/dbraw/zinc/27/66/31/314276631.db2.gz AENVRWFQBPRLIP-QFBILLFUSA-N 2 1 325.456 3.160 20 0 EGADMP COc1nc2ccccc2cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000538798334 314276633 /nfs/dbraw/zinc/27/66/33/314276633.db2.gz AENVRWFQBPRLIP-QFBILLFUSA-N 2 1 325.456 3.160 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000540143502 314365600 /nfs/dbraw/zinc/36/56/00/314365600.db2.gz HFEKYEPDIMSIFD-XHDPSFHLSA-N 2 1 329.257 3.061 20 0 EGADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCC[C@@H]2C2CC2)c2cccs2)CC1 ZINC000540260814 314372410 /nfs/dbraw/zinc/37/24/10/314372410.db2.gz NYTYVTDOPQZZSA-FGTMMUONSA-N 2 1 333.545 3.205 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000547318794 314887823 /nfs/dbraw/zinc/88/78/23/314887823.db2.gz OVZBYJLFGXQRME-GJZGRUSLSA-N 2 1 329.488 3.354 20 0 EGADMP OC[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000550274946 315123005 /nfs/dbraw/zinc/12/30/05/315123005.db2.gz IRAPBELBWXCBSL-FQEVSTJZSA-N 2 1 330.516 3.429 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCCC[NH+](C)C)cc1 ZINC000552362581 315215876 /nfs/dbraw/zinc/21/58/76/315215876.db2.gz CVDUOZYPNBHNCK-SFHVURJKSA-N 2 1 345.531 3.409 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCC(C(C)(C)C)CC2)CC1 ZINC000553548218 315269519 /nfs/dbraw/zinc/26/95/19/315269519.db2.gz HQSYUALGBFBTHZ-UHFFFAOYSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000554346933 315311798 /nfs/dbraw/zinc/31/17/98/315311798.db2.gz KMRRGSZMHVBXTF-QKPAOTATSA-N 2 1 336.442 3.444 20 0 EGADMP COc1ccc(C[N@H+](CCCc2c[nH+]cn2C)CC2CC2)c(OC)c1 ZINC000563352903 316003676 /nfs/dbraw/zinc/00/36/76/316003676.db2.gz HZGLWWQELKIYLB-UHFFFAOYSA-N 2 1 343.471 3.282 20 0 EGADMP COc1ccc(C[N@@H+](CCCc2c[nH+]cn2C)CC2CC2)c(OC)c1 ZINC000563352903 316003678 /nfs/dbraw/zinc/00/36/78/316003678.db2.gz HZGLWWQELKIYLB-UHFFFAOYSA-N 2 1 343.471 3.282 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000564070212 316108621 /nfs/dbraw/zinc/10/86/21/316108621.db2.gz PXIMPWUNAQFMQT-GFOJFJKKSA-N 2 1 329.532 3.215 20 0 EGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000564070212 316108622 /nfs/dbraw/zinc/10/86/22/316108622.db2.gz PXIMPWUNAQFMQT-GFOJFJKKSA-N 2 1 329.532 3.215 20 0 EGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000564070212 316108625 /nfs/dbraw/zinc/10/86/25/316108625.db2.gz PXIMPWUNAQFMQT-GFOJFJKKSA-N 2 1 329.532 3.215 20 0 EGADMP Cc1cnc2cc(C(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)ccn12 ZINC000564352929 316141813 /nfs/dbraw/zinc/14/18/13/316141813.db2.gz YODBJOZPDYTVDQ-NVXWUHKLSA-N 2 1 340.471 3.026 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000564545211 316165552 /nfs/dbraw/zinc/16/55/52/316165552.db2.gz BZPTXZLEKPEYTD-INIZCTEOSA-N 2 1 340.471 3.097 20 0 EGADMP C[C@@H]1C[N@H+](CCS[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC000564965797 316238495 /nfs/dbraw/zinc/23/84/95/316238495.db2.gz LRQDUGMBHLOXRG-IEBWSBKVSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@@H]1C[N@@H+](CCS[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC000564965797 316238496 /nfs/dbraw/zinc/23/84/96/316238496.db2.gz LRQDUGMBHLOXRG-IEBWSBKVSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@@H]1C[NH+](CCS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000564965797 316238497 /nfs/dbraw/zinc/23/84/97/316238497.db2.gz LRQDUGMBHLOXRG-IEBWSBKVSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@@H]1C[NH+](CCS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000564965797 316238499 /nfs/dbraw/zinc/23/84/99/316238499.db2.gz LRQDUGMBHLOXRG-IEBWSBKVSA-N 2 1 334.529 3.105 20 0 EGADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000565164149 316279227 /nfs/dbraw/zinc/27/92/27/316279227.db2.gz MBUODWYRVNPQPF-CZUORRHYSA-N 2 1 332.410 3.401 20 0 EGADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000565164149 316279232 /nfs/dbraw/zinc/27/92/32/316279232.db2.gz MBUODWYRVNPQPF-CZUORRHYSA-N 2 1 332.410 3.401 20 0 EGADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000565164149 316279237 /nfs/dbraw/zinc/27/92/37/316279237.db2.gz MBUODWYRVNPQPF-CZUORRHYSA-N 2 1 332.410 3.401 20 0 EGADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000565164149 316279241 /nfs/dbraw/zinc/27/92/41/316279241.db2.gz MBUODWYRVNPQPF-CZUORRHYSA-N 2 1 332.410 3.401 20 0 EGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OCc2cccnc2)cc1 ZINC000568363522 316764489 /nfs/dbraw/zinc/76/44/89/316764489.db2.gz YUKNWQMHKCDLQA-MRXNPFEDSA-N 2 1 336.439 3.287 20 0 EGADMP COCC[NH2+]C1CC[NH+]([C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000569369798 316905126 /nfs/dbraw/zinc/90/51/26/316905126.db2.gz GRVWXCCHEWYDPJ-ZDUSSCGKSA-N 2 1 328.403 3.049 20 0 EGADMP C[N@@H+](CCC[NH3+])Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000570093324 317006156 /nfs/dbraw/zinc/00/61/56/317006156.db2.gz KODNILZUAWQKCQ-UHFFFAOYSA-N 2 1 331.847 3.373 20 0 EGADMP FC(F)(F)c1ccccc1OCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000570964268 317133718 /nfs/dbraw/zinc/13/37/18/317133718.db2.gz HFSDHLOPHYFVJM-GJZGRUSLSA-N 2 1 342.405 3.406 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000379861559 324243162 /nfs/dbraw/zinc/24/31/62/324243162.db2.gz SHMQZGJDSKHZFC-VQHPVUNQSA-N 2 1 339.524 3.285 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000379861559 324243165 /nfs/dbraw/zinc/24/31/65/324243165.db2.gz SHMQZGJDSKHZFC-VQHPVUNQSA-N 2 1 339.524 3.285 20 0 EGADMP C[NH+](C)C1(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CCCC1 ZINC000382467586 324251544 /nfs/dbraw/zinc/25/15/44/324251544.db2.gz BXMIEPZJYLWNCA-UHFFFAOYSA-N 2 1 339.524 3.286 20 0 EGADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)O1 ZINC000383747917 324257373 /nfs/dbraw/zinc/25/73/73/324257373.db2.gz ZCVISPXQAVXIOW-ZGXWSNOMSA-N 2 1 328.500 3.444 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000386538046 324269310 /nfs/dbraw/zinc/26/93/10/324269310.db2.gz CLPWBWCNDVPORB-RDJZCZTQSA-N 2 1 339.524 3.238 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1(CN[C@@H]2CC[NH+]3CCC[C@H]3C2)CCC1 ZINC000387371621 324270695 /nfs/dbraw/zinc/27/06/95/324270695.db2.gz IHJIAVSCDSDTEL-UXHICEINSA-N 2 1 327.516 3.258 20 0 EGADMP C[NH+](Cc1ccccc1)C1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000387371621 324270700 /nfs/dbraw/zinc/27/07/00/324270700.db2.gz IHJIAVSCDSDTEL-UXHICEINSA-N 2 1 327.516 3.258 20 0 EGADMP C[NH+](Cc1ccccc1)C1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000387371621 324270704 /nfs/dbraw/zinc/27/07/04/324270704.db2.gz IHJIAVSCDSDTEL-UXHICEINSA-N 2 1 327.516 3.258 20 0 EGADMP CN(Cc1ccccc1)C1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000387371621 324270709 /nfs/dbraw/zinc/27/07/09/324270709.db2.gz IHJIAVSCDSDTEL-UXHICEINSA-N 2 1 327.516 3.258 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398010111 324295159 /nfs/dbraw/zinc/29/51/59/324295159.db2.gz RZPODAWBUMBJMZ-BHIYHBOVSA-N 2 1 345.531 3.037 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000578894247 325033760 /nfs/dbraw/zinc/03/37/60/325033760.db2.gz CQXSJWKMXKNHCS-KRWDZBQOSA-N 2 1 335.536 3.009 20 0 EGADMP CCC(=O)N1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000580286687 325228553 /nfs/dbraw/zinc/22/85/53/325228553.db2.gz AWSCGXZFJAOLFX-UHFFFAOYSA-N 2 1 343.515 3.117 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000580618607 325274131 /nfs/dbraw/zinc/27/41/31/325274131.db2.gz ALSFPQGVKMTXOH-HNNXBMFYSA-N 2 1 330.451 3.046 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000581009650 325320827 /nfs/dbraw/zinc/32/08/27/325320827.db2.gz ZIFHSOHLJDQEIC-APWZRJJASA-N 2 1 331.504 3.051 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000581070078 325326432 /nfs/dbraw/zinc/32/64/32/325326432.db2.gz YFLCFRVVFCAPAW-RCCFBDPRSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CN[C@@H]2C[C@@H](C)C[NH+](Cc3ccccc3)C2)C1 ZINC000581694590 325383150 /nfs/dbraw/zinc/38/31/50/325383150.db2.gz YHMYHFQLKCMTQW-HMXCVIKNSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC000581694590 325383152 /nfs/dbraw/zinc/38/31/52/325383152.db2.gz YHMYHFQLKCMTQW-HMXCVIKNSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC000581694590 325383153 /nfs/dbraw/zinc/38/31/53/325383153.db2.gz YHMYHFQLKCMTQW-HMXCVIKNSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)CN(Cc3ccccc3)C2)C1 ZINC000581694590 325383155 /nfs/dbraw/zinc/38/31/55/325383155.db2.gz YHMYHFQLKCMTQW-HMXCVIKNSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)CN(Cc3ccccc3)C2)C1 ZINC000581694590 325383157 /nfs/dbraw/zinc/38/31/57/325383157.db2.gz YHMYHFQLKCMTQW-HMXCVIKNSA-N 2 1 329.532 3.217 20 0 EGADMP C[NH+](C)CC1CC[NH+](Cc2c(F)cccc2OC(F)(F)F)CC1 ZINC000582053383 325410411 /nfs/dbraw/zinc/41/04/11/325410411.db2.gz CORKLZNVNWJLEL-UHFFFAOYSA-N 2 1 334.357 3.498 20 0 EGADMP [NH3+]CCC[N@H+](Cc1cncc(Br)c1)CC1CCCC1 ZINC000352517250 457434484 /nfs/dbraw/zinc/43/44/84/457434484.db2.gz CKHQJZOWWQAFGT-UHFFFAOYSA-N 2 1 326.282 3.185 20 0 EGADMP CCc1cccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000157710245 455223655 /nfs/dbraw/zinc/22/36/55/455223655.db2.gz PLGGDODXQBVXKO-IBGZPJMESA-N 2 1 346.519 3.129 20 0 EGADMP CCc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)o1 ZINC000180987224 455272758 /nfs/dbraw/zinc/27/27/58/455272758.db2.gz TYMJPERERDRHRS-SFHVURJKSA-N 2 1 328.456 3.089 20 0 EGADMP CCc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)o1 ZINC000180987224 455272761 /nfs/dbraw/zinc/27/27/61/455272761.db2.gz TYMJPERERDRHRS-SFHVURJKSA-N 2 1 328.456 3.089 20 0 EGADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)co2)c1 ZINC000631827445 460575253 /nfs/dbraw/zinc/57/52/53/460575253.db2.gz OOQXEVFJUSSPLF-IAGOWNOFSA-N 2 1 341.455 3.172 20 0 EGADMP COc1cccc(-c2nc(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])co2)c1 ZINC000631829248 460576080 /nfs/dbraw/zinc/57/60/80/460576080.db2.gz LNQUZDVUXVQMKL-KSSFIOAISA-N 2 1 329.444 3.300 20 0 EGADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])co2)c1 ZINC000631829248 460576086 /nfs/dbraw/zinc/57/60/86/460576086.db2.gz LNQUZDVUXVQMKL-KSSFIOAISA-N 2 1 329.444 3.300 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2sc(CCOC)nc2C)C1 ZINC000245611822 455341036 /nfs/dbraw/zinc/34/10/36/455341036.db2.gz ODGJVGUAARCCDK-UKRRQHHQSA-N 2 1 325.522 3.023 20 0 EGADMP C[NH+]1CCC(Oc2ccc(CN[C@H]3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623516696 460591708 /nfs/dbraw/zinc/59/17/08/460591708.db2.gz AXGMPFOTKXFJQD-SFHVURJKSA-N 2 1 345.531 3.122 20 0 EGADMP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623516696 460591714 /nfs/dbraw/zinc/59/17/14/460591714.db2.gz AXGMPFOTKXFJQD-SFHVURJKSA-N 3 1 345.531 3.122 20 0 EGADMP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623516696 460591719 /nfs/dbraw/zinc/59/17/19/460591719.db2.gz AXGMPFOTKXFJQD-SFHVURJKSA-N 3 1 345.531 3.122 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000066960847 453890042 /nfs/dbraw/zinc/89/00/42/453890042.db2.gz WJORKJUWUYJPEW-HXUWFJFHSA-N 2 1 345.531 3.260 20 0 EGADMP COc1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040622486 453953292 /nfs/dbraw/zinc/95/32/92/453953292.db2.gz LFVNIUKGDOFLPZ-CYBMUJFWSA-N 2 1 341.293 3.278 20 0 EGADMP COc1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000040622486 453953295 /nfs/dbraw/zinc/95/32/95/453953295.db2.gz LFVNIUKGDOFLPZ-CYBMUJFWSA-N 2 1 341.293 3.278 20 0 EGADMP CN(C)c1c(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)ccc(F)c1F ZINC000623575339 460621448 /nfs/dbraw/zinc/62/14/48/460621448.db2.gz WGHBYFFQIPAXHF-OAHLLOKOSA-N 2 1 337.458 3.242 20 0 EGADMP CN(C)c1c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)ccc(F)c1F ZINC000623575339 460621449 /nfs/dbraw/zinc/62/14/49/460621449.db2.gz WGHBYFFQIPAXHF-OAHLLOKOSA-N 2 1 337.458 3.242 20 0 EGADMP CN(C)c1c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc(F)c1F ZINC000623575339 460621454 /nfs/dbraw/zinc/62/14/54/460621454.db2.gz WGHBYFFQIPAXHF-OAHLLOKOSA-N 2 1 337.458 3.242 20 0 EGADMP CCc1cccc(C)c1NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522415 454064686 /nfs/dbraw/zinc/06/46/86/454064686.db2.gz LTSGRRUHSQXOOM-UHFFFAOYSA-N 2 1 331.504 3.160 20 0 EGADMP Cc1csc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000088603761 454114927 /nfs/dbraw/zinc/11/49/27/454114927.db2.gz SWORNBZPARBNSZ-HOTGVXAUSA-N 2 1 337.533 3.163 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000045007848 454132205 /nfs/dbraw/zinc/13/22/05/454132205.db2.gz YUQIATDSIGANKU-GOSISDBHSA-N 2 1 349.906 3.077 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000045007848 454132206 /nfs/dbraw/zinc/13/22/06/454132206.db2.gz YUQIATDSIGANKU-GOSISDBHSA-N 2 1 349.906 3.077 20 0 EGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000182026288 455419065 /nfs/dbraw/zinc/41/90/65/455419065.db2.gz BPECLKVHGCYJAN-BBWFWOEESA-N 2 1 347.503 3.185 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2cccc(C(N)=O)c2)cc1 ZINC000089545794 454160892 /nfs/dbraw/zinc/16/08/92/454160892.db2.gz MURFWZPCYOZXMW-HNNXBMFYSA-N 2 1 348.450 3.173 20 0 EGADMP Clc1ccc(-c2noc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000089555876 454161821 /nfs/dbraw/zinc/16/18/21/454161821.db2.gz MGLXXVRZJYBDAK-HZPDHXFCSA-N 2 1 346.862 3.149 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000089627778 454170096 /nfs/dbraw/zinc/17/00/96/454170096.db2.gz SFDDCBIWOOHROP-NUJGCVRESA-N 2 1 327.472 3.322 20 0 EGADMP O[C@@H](C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl)C[NH+]1CCCC1 ZINC000089697617 454178612 /nfs/dbraw/zinc/17/86/12/454178612.db2.gz COYNTTNBUSUETC-BLLLJJGKSA-N 2 1 329.271 3.027 20 0 EGADMP [NH3+]Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000131551989 454263632 /nfs/dbraw/zinc/26/36/32/454263632.db2.gz XOQKHJAJEDTLED-KRWDZBQOSA-N 2 1 341.430 3.135 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000090044595 454265601 /nfs/dbraw/zinc/26/56/01/454265601.db2.gz BHOXZBXGJFLTEO-IIAWOOMASA-N 2 1 330.501 3.066 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000131665529 454275050 /nfs/dbraw/zinc/27/50/50/454275050.db2.gz USEBYRFJWXXVKP-APWZRJJASA-N 2 1 339.439 3.179 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000090178527 454289230 /nfs/dbraw/zinc/28/92/30/454289230.db2.gz BHPQTPHIOWZFAZ-NZSAHSFTSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000090178527 454289232 /nfs/dbraw/zinc/28/92/32/454289232.db2.gz BHPQTPHIOWZFAZ-NZSAHSFTSA-N 2 1 343.515 3.029 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000090177943 454289394 /nfs/dbraw/zinc/28/93/94/454289394.db2.gz ZZOQFTABOPRCPO-RHSMWYFYSA-N 2 1 340.471 3.231 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000072630340 454320266 /nfs/dbraw/zinc/32/02/66/454320266.db2.gz FNWPZZLMCIZKOJ-UHFFFAOYSA-N 2 1 339.430 3.100 20 0 EGADMP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000061622313 454350295 /nfs/dbraw/zinc/35/02/95/454350295.db2.gz OLPGTOFVALOJKL-FQEVSTJZSA-N 2 1 339.483 3.057 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000061622313 454350299 /nfs/dbraw/zinc/35/02/99/454350299.db2.gz OLPGTOFVALOJKL-FQEVSTJZSA-N 2 1 339.483 3.057 20 0 EGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000090936623 454351187 /nfs/dbraw/zinc/35/11/87/454351187.db2.gz CIDGISHJSOOYEI-BVIKNXMNSA-N 2 1 334.504 3.201 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c(F)c1 ZINC000090937418 454353517 /nfs/dbraw/zinc/35/35/17/454353517.db2.gz QNRISZXZZLPAHI-CQSZACIVSA-N 2 1 347.434 3.021 20 0 EGADMP CCc1ccc(-c2ccc(C[NH2+][C@@H](C)CN3CC[NH+](C)CC3)o2)cc1 ZINC000072922540 454363602 /nfs/dbraw/zinc/36/36/02/454363602.db2.gz XLDYCZODWWZYTK-KRWDZBQOSA-N 2 1 341.499 3.235 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000062426959 454376275 /nfs/dbraw/zinc/37/62/75/454376275.db2.gz YXFUYMZZZFDMLB-SFHVURJKSA-N 2 1 339.483 3.481 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000062426959 454376282 /nfs/dbraw/zinc/37/62/82/454376282.db2.gz YXFUYMZZZFDMLB-SFHVURJKSA-N 2 1 339.483 3.481 20 0 EGADMP CCN(CC)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000079303710 454394955 /nfs/dbraw/zinc/39/49/55/454394955.db2.gz CULKWAHOZCDZFM-ROUUACIJSA-N 2 1 345.531 3.265 20 0 EGADMP CCC(CC)[C@@H](CNC1CC[NH+](Cc2cccnc2)CC1)[NH+](C)C ZINC000133150449 454398023 /nfs/dbraw/zinc/39/80/23/454398023.db2.gz UIIWGYBTJWUTQI-HXUWFJFHSA-N 2 1 332.536 3.002 20 0 EGADMP CCc1cccc(NC(=O)C[NH+]2CCC(C[NH+](CC)CC)CC2)c1 ZINC000047973678 454425939 /nfs/dbraw/zinc/42/59/39/454425939.db2.gz CNUTZKZODWFPNC-UHFFFAOYSA-N 2 1 331.504 3.241 20 0 EGADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000047978604 454428803 /nfs/dbraw/zinc/42/88/03/454428803.db2.gz SIKAHWRXYUYMPI-UHFFFAOYSA-N 2 1 337.895 3.332 20 0 EGADMP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000121891588 454489985 /nfs/dbraw/zinc/48/99/85/454489985.db2.gz DNEMYJSEKTYSLZ-QRWLVFNGSA-N 2 1 326.484 3.463 20 0 EGADMP CC[C@@]1(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000134568013 454562422 /nfs/dbraw/zinc/56/24/22/454562422.db2.gz OKCAVJQSEXGTIC-MJGOQNOKSA-N 2 1 349.906 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc(F)cc(F)c3)CC2)C[C@H](C)O1 ZINC000092587002 454591490 /nfs/dbraw/zinc/59/14/90/454591490.db2.gz KXEWASCPLBKBGM-GASCZTMLSA-N 2 1 338.442 3.286 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(F)cc(F)c3)CC2)C[C@H](C)O1 ZINC000092587002 454591493 /nfs/dbraw/zinc/59/14/93/454591493.db2.gz KXEWASCPLBKBGM-GASCZTMLSA-N 2 1 338.442 3.286 20 0 EGADMP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)ccc1OC(F)F ZINC000105443854 454638875 /nfs/dbraw/zinc/63/88/75/454638875.db2.gz XAQWVPOCCYLRPQ-GFCCVEGCSA-N 2 1 339.386 3.227 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2CCCC[C@@H]2CC)CC1 ZINC000052208965 454661719 /nfs/dbraw/zinc/66/17/19/454661719.db2.gz BCZYTQDCSXGSDN-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP C[N@@H+](Cc1c(F)cccc1Br)CC1CC[NH+](C)CC1 ZINC000093173480 454689863 /nfs/dbraw/zinc/68/98/63/454689863.db2.gz PFADYWUAAZXPQO-UHFFFAOYSA-N 2 1 329.257 3.362 20 0 EGADMP C[N@H+](Cc1c(F)cccc1Br)CC1CC[NH+](C)CC1 ZINC000093173480 454689866 /nfs/dbraw/zinc/68/98/66/454689866.db2.gz PFADYWUAAZXPQO-UHFFFAOYSA-N 2 1 329.257 3.362 20 0 EGADMP Cc1cc(C)c(NC(=O)CN(C)CCCn2ccnc2)c(Cl)c1 ZINC000124317461 454717688 /nfs/dbraw/zinc/71/76/88/454717688.db2.gz YBXOTWIYLONZBK-UHFFFAOYSA-N 2 1 334.851 3.114 20 0 EGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C(C)(C)c1ccccc1 ZINC000124333727 454719853 /nfs/dbraw/zinc/71/98/53/454719853.db2.gz MYDIFDSBAGBAJM-SFHVURJKSA-N 2 1 331.548 3.216 20 0 EGADMP CC(C)C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccn1 ZINC000124335014 454720147 /nfs/dbraw/zinc/72/01/47/454720147.db2.gz CSXKJCWXIKDPAE-HXUWFJFHSA-N 2 1 332.536 3.032 20 0 EGADMP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)o1 ZINC000136233038 454731129 /nfs/dbraw/zinc/73/11/29/454731129.db2.gz DNAWAZJYJJXNNL-YOEHRIQHSA-N 2 1 329.444 3.028 20 0 EGADMP Cc1nccn1CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000136294035 454733494 /nfs/dbraw/zinc/73/34/94/454733494.db2.gz XTWZRLXMEUMJJC-AWEZNQCLSA-N 2 1 348.878 3.044 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000136294035 454733496 /nfs/dbraw/zinc/73/34/96/454733496.db2.gz XTWZRLXMEUMJJC-AWEZNQCLSA-N 2 1 348.878 3.044 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000136294035 454733499 /nfs/dbraw/zinc/73/34/99/454733499.db2.gz XTWZRLXMEUMJJC-AWEZNQCLSA-N 2 1 348.878 3.044 20 0 EGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124453214 454735608 /nfs/dbraw/zinc/73/56/08/454735608.db2.gz CROOMPKKRZDUKQ-OAQYLSRUSA-N 2 1 349.538 3.256 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000124512358 454742859 /nfs/dbraw/zinc/74/28/59/454742859.db2.gz AKDAAPCVRBBREL-IBGZPJMESA-N 2 1 335.923 3.191 20 0 EGADMP CCCC[C@H](COC)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000162759259 454799065 /nfs/dbraw/zinc/79/90/65/454799065.db2.gz NUZXTGDQUTWWEL-GOSISDBHSA-N 2 1 337.508 3.298 20 0 EGADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000163119054 454824390 /nfs/dbraw/zinc/82/43/90/454824390.db2.gz PLYYINIBHXODTM-NRFANRHFSA-N 2 1 348.506 3.363 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c2ccccc21 ZINC000153746023 454828945 /nfs/dbraw/zinc/82/89/45/454828945.db2.gz HUKSIJNESRJRLQ-INIZCTEOSA-N 2 1 330.472 3.467 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000153793545 454834089 /nfs/dbraw/zinc/83/40/89/454834089.db2.gz KZCCDMRIKTWPRP-MRXNPFEDSA-N 2 1 330.472 3.467 20 0 EGADMP CCc1noc([C@H](C)[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)n1 ZINC000109765032 454835354 /nfs/dbraw/zinc/83/53/54/454835354.db2.gz AFPJUALKOOPWQX-LBPRGKRZSA-N 2 1 325.416 3.449 20 0 EGADMP CCc1noc([C@@H](C)[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)n1 ZINC000109765029 454836109 /nfs/dbraw/zinc/83/61/09/454836109.db2.gz AFPJUALKOOPWQX-GFCCVEGCSA-N 2 1 325.416 3.449 20 0 EGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000177364785 454856702 /nfs/dbraw/zinc/85/67/02/454856702.db2.gz UUCNFNRPBAGDKV-UHFFFAOYSA-N 2 1 325.456 3.127 20 0 EGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000177364785 454856705 /nfs/dbraw/zinc/85/67/05/454856705.db2.gz UUCNFNRPBAGDKV-UHFFFAOYSA-N 2 1 325.456 3.127 20 0 EGADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](CCCc1ccccc1)c1ccccc1 ZINC000154251421 454878365 /nfs/dbraw/zinc/87/83/65/454878365.db2.gz AVXYCWMTLAPCEF-RTWAWAEBSA-N 2 1 326.484 3.263 20 0 EGADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000154356627 454888297 /nfs/dbraw/zinc/88/82/97/454888297.db2.gz YRCVZYSRHYEZMF-OAHLLOKOSA-N 2 1 338.565 3.253 20 0 EGADMP C[C@H](C[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)C[NH+]1CCCC1 ZINC000165324325 454897914 /nfs/dbraw/zinc/89/79/14/454897914.db2.gz HKDULYZXIDISGV-MSOLQXFVSA-N 2 1 326.488 3.314 20 0 EGADMP Cc1ccc(N2CCC(C(=O)Nc3ccc([C@H](C)[NH3+])cc3)CC2)[nH+]c1 ZINC000178188653 454941797 /nfs/dbraw/zinc/94/17/97/454941797.db2.gz CZARDNIDWBDSSA-HNNXBMFYSA-N 2 1 338.455 3.265 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)C(C)C)cc1)C(C)C ZINC000151810049 455033266 /nfs/dbraw/zinc/03/32/66/455033266.db2.gz XUEAVGCKGJJTPV-UHFFFAOYSA-N 2 1 333.520 3.329 20 0 EGADMP CCc1ccccc1NC(=O)[C@H](C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000179475328 455050069 /nfs/dbraw/zinc/05/00/69/455050069.db2.gz NHRYMRIKZVLFFW-TXPKVOOTSA-N 2 1 340.471 3.356 20 0 EGADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000151972268 455056096 /nfs/dbraw/zinc/05/60/96/455056096.db2.gz VBHVMQJFTJJFST-WOJBJXKFSA-N 2 1 339.483 3.229 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]([NH3+])c2ccccc2)cc1)C(C)C ZINC000152109226 455073692 /nfs/dbraw/zinc/07/36/92/455073692.db2.gz VPRPDGYEOYLFDO-HXUWFJFHSA-N 2 1 339.483 3.347 20 0 EGADMP C[C@H](CC[NH2+][C@@H]1CCCc2c1cnn2C)[N@H+](C)Cc1ccccc1 ZINC000156230144 455095605 /nfs/dbraw/zinc/09/56/05/455095605.db2.gz LAQOYHFUVDRSCS-VQIMIIECSA-N 2 1 326.488 3.298 20 0 EGADMP C[C@H](CC[NH2+][C@@H]1CCCc2c1cnn2C)[N@@H+](C)Cc1ccccc1 ZINC000156230144 455095609 /nfs/dbraw/zinc/09/56/09/455095609.db2.gz LAQOYHFUVDRSCS-VQIMIIECSA-N 2 1 326.488 3.298 20 0 EGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000129063128 455096648 /nfs/dbraw/zinc/09/66/48/455096648.db2.gz VJZUPKAGDKLCCL-QWRGUYRKSA-N 2 1 330.259 3.134 20 0 EGADMP Brc1ccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000156339803 455106586 /nfs/dbraw/zinc/10/65/86/455106586.db2.gz HKIHMMSNLWFOGM-MRXNPFEDSA-N 2 1 333.229 3.497 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccncc2)CC1 ZINC000156466108 455121686 /nfs/dbraw/zinc/12/16/86/455121686.db2.gz NTSGUGQVXKPXCV-GOSISDBHSA-N 2 1 338.499 3.070 20 0 EGADMP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3CCCC[N@H+]3C)c2)CC1 ZINC000600985375 460664897 /nfs/dbraw/zinc/66/48/97/460664897.db2.gz AKAPAQQMMMCWOQ-FQEVSTJZSA-N 2 1 343.515 3.019 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180442071 455171155 /nfs/dbraw/zinc/17/11/55/455171155.db2.gz KVWNDOZEMPWHKN-AUUYWEPGSA-N 2 1 341.434 3.079 20 0 EGADMP C[NH+](C)CC1(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CCCC1 ZINC000189405573 455191259 /nfs/dbraw/zinc/19/12/59/455191259.db2.gz WQBSLBIFQJLBHB-UHFFFAOYSA-N 2 1 344.478 3.282 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cncn2C)C1 ZINC000237686478 455207518 /nfs/dbraw/zinc/20/75/18/455207518.db2.gz ZSLUAYIWBAPXML-CALCHBBNSA-N 2 1 326.488 3.188 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180626573 455212577 /nfs/dbraw/zinc/21/25/77/455212577.db2.gz IAGHAVVXTMIGHR-LJQANCHMSA-N 2 1 341.434 3.224 20 0 EGADMP C[N@@H+](C[C@@H](O)Cc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245431912 455297258 /nfs/dbraw/zinc/29/72/58/455297258.db2.gz AZUPXUYNUSYJOA-YADHBBJMSA-N 2 1 338.495 3.044 20 0 EGADMP C[NH+](C[C@@H](O)Cc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245431912 455297265 /nfs/dbraw/zinc/29/72/65/455297265.db2.gz AZUPXUYNUSYJOA-YADHBBJMSA-N 2 1 338.495 3.044 20 0 EGADMP C[NH+](C[C@@H](O)Cc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245431912 455297271 /nfs/dbraw/zinc/29/72/71/455297271.db2.gz AZUPXUYNUSYJOA-YADHBBJMSA-N 2 1 338.495 3.044 20 0 EGADMP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158938363 455339009 /nfs/dbraw/zinc/33/90/09/455339009.db2.gz AFADYRSMETZLMI-MSOLQXFVSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)o1 ZINC000182251680 455472460 /nfs/dbraw/zinc/47/24/60/455472460.db2.gz CJRGBLQSHBRNCX-VQIMIIECSA-N 2 1 328.456 3.396 20 0 EGADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)o1 ZINC000182251680 455472464 /nfs/dbraw/zinc/47/24/64/455472464.db2.gz CJRGBLQSHBRNCX-VQIMIIECSA-N 2 1 328.456 3.396 20 0 EGADMP C[NH+](C)C1CCN(CCNc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000267223565 455519321 /nfs/dbraw/zinc/51/93/21/455519321.db2.gz TXWOUJUCJSWMGL-UHFFFAOYSA-N 2 1 332.879 3.326 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000247102816 455559211 /nfs/dbraw/zinc/55/92/11/455559211.db2.gz SOBIBVVFGMZKDZ-MOPGFXCFSA-N 2 1 347.547 3.398 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000247102816 455559216 /nfs/dbraw/zinc/55/92/16/455559216.db2.gz SOBIBVVFGMZKDZ-MOPGFXCFSA-N 2 1 347.547 3.398 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000247102816 455559219 /nfs/dbraw/zinc/55/92/19/455559219.db2.gz SOBIBVVFGMZKDZ-MOPGFXCFSA-N 2 1 347.547 3.398 20 0 EGADMP CCOc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)CCOCC2)cc1 ZINC000247177189 455568938 /nfs/dbraw/zinc/56/89/38/455568938.db2.gz UXTPYFQEYVNZKV-PKOBYXMFSA-N 2 1 346.515 3.206 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000247180770 455570017 /nfs/dbraw/zinc/57/00/17/455570017.db2.gz VFFITHJCVYABET-QZTJIDSGSA-N 2 1 341.503 3.430 20 0 EGADMP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000247228952 455576431 /nfs/dbraw/zinc/57/64/31/455576431.db2.gz WVTIHBSTKSGYPV-ZIFCJYIRSA-N 2 1 334.504 3.229 20 0 EGADMP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000247228952 455576433 /nfs/dbraw/zinc/57/64/33/455576433.db2.gz WVTIHBSTKSGYPV-ZIFCJYIRSA-N 2 1 334.504 3.229 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000185623893 455586121 /nfs/dbraw/zinc/58/61/21/455586121.db2.gz KBSJQQKJHIURNE-RISCZKNCSA-N 2 1 332.414 3.197 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000185623893 455586124 /nfs/dbraw/zinc/58/61/24/455586124.db2.gz KBSJQQKJHIURNE-RISCZKNCSA-N 2 1 332.414 3.197 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc2)n1 ZINC000247343728 455590122 /nfs/dbraw/zinc/59/01/22/455590122.db2.gz XRLIKWLUKGHYSL-PZJWPPBQSA-N 2 1 338.499 3.405 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc2)n1 ZINC000247343728 455590125 /nfs/dbraw/zinc/59/01/25/455590125.db2.gz XRLIKWLUKGHYSL-PZJWPPBQSA-N 2 1 338.499 3.405 20 0 EGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc2)n1 ZINC000247343728 455590127 /nfs/dbraw/zinc/59/01/27/455590127.db2.gz XRLIKWLUKGHYSL-PZJWPPBQSA-N 2 1 338.499 3.405 20 0 EGADMP Cc1cc(C)cc(NC(=O)CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185684072 455595373 /nfs/dbraw/zinc/59/53/73/455595373.db2.gz NHKBVAHACAZWSF-ZWKOTPCHSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1cc(C)cc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185684072 455595378 /nfs/dbraw/zinc/59/53/78/455595378.db2.gz NHKBVAHACAZWSF-ZWKOTPCHSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1cc(C)cc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185684072 455595382 /nfs/dbraw/zinc/59/53/82/455595382.db2.gz NHKBVAHACAZWSF-ZWKOTPCHSA-N 2 1 343.515 3.485 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]CCCCCOc2ccccc2)CCCO1 ZINC000277572596 455603230 /nfs/dbraw/zinc/60/32/30/455603230.db2.gz SRVIOQBFBUIKIQ-LJQANCHMSA-N 2 1 334.504 3.326 20 0 EGADMP COc1cccc2c1CC[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3C)nc1)C2 ZINC000192439757 455616220 /nfs/dbraw/zinc/61/62/20/455616220.db2.gz BYSLRXDEAPHCAI-SFHVURJKSA-N 2 1 348.450 3.231 20 0 EGADMP C[C@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185767215 455618666 /nfs/dbraw/zinc/61/86/66/455618666.db2.gz MPKLUMRPMDMLHM-HOTGVXAUSA-N 2 1 347.478 3.397 20 0 EGADMP CCOc1ccccc1NC(=O)[C@@H](C)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000247543402 455621889 /nfs/dbraw/zinc/62/18/89/455621889.db2.gz PIKWJPMUZNMXOD-IAGOWNOFSA-N 2 1 347.503 3.219 20 0 EGADMP COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)ccc1SC ZINC000277654875 455625941 /nfs/dbraw/zinc/62/59/41/455625941.db2.gz DXLCABSJSGSWMM-HNNXBMFYSA-N 2 1 338.517 3.008 20 0 EGADMP Oc1cccc2c1CCC[C@@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000284144540 455642563 /nfs/dbraw/zinc/64/25/63/455642563.db2.gz OXBLAVJQVSMNSG-SFHVURJKSA-N 2 1 330.472 3.004 20 0 EGADMP Oc1ccc2c(c1)[C@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CCC2 ZINC000284182678 455648832 /nfs/dbraw/zinc/64/88/32/455648832.db2.gz RCOWZSDHBKEAPA-LJQANCHMSA-N 2 1 330.472 3.004 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000247999848 455667697 /nfs/dbraw/zinc/66/76/97/455667697.db2.gz KGODOHXWDQUZNY-UFYCRDLUSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1OC(F)F ZINC000247999937 455667978 /nfs/dbraw/zinc/66/79/78/455667978.db2.gz KHRHYHQXCAFKGA-CABCVRRESA-N 2 1 342.430 3.176 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)CC1 ZINC000192754975 455687083 /nfs/dbraw/zinc/68/70/83/455687083.db2.gz WOURDRFXTJYGOX-PZJWPPBQSA-N 2 1 329.532 3.281 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)cc1 ZINC000271570558 455687810 /nfs/dbraw/zinc/68/78/10/455687810.db2.gz VQGXCSMZSIZCFV-ABAIWWIYSA-N 2 1 327.350 3.145 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000268898185 455723138 /nfs/dbraw/zinc/72/31/38/455723138.db2.gz OAOUXFNQGXHUFG-KPFFTGBYSA-N 2 1 328.456 3.130 20 0 EGADMP CCCc1nc(CN[C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)cs1 ZINC000249470642 455757549 /nfs/dbraw/zinc/75/75/49/455757549.db2.gz UIXLVPTUNPKABC-NVXWUHKLSA-N 2 1 339.549 3.322 20 0 EGADMP COc1ccc(C(=O)CCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000285283170 455817345 /nfs/dbraw/zinc/81/73/45/455817345.db2.gz AQNGGVDMEVFTPD-XLIONFOSSA-N 2 1 342.483 3.217 20 0 EGADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1Br ZINC000252870498 455829642 /nfs/dbraw/zinc/82/96/42/455829642.db2.gz SKHOZZQTEFSCSV-YDHLFZDLSA-N 2 1 339.277 3.017 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1Br ZINC000252870498 455829644 /nfs/dbraw/zinc/82/96/44/455829644.db2.gz SKHOZZQTEFSCSV-YDHLFZDLSA-N 2 1 339.277 3.017 20 0 EGADMP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278376455 455833914 /nfs/dbraw/zinc/83/39/14/455833914.db2.gz DWDSVMAGISSTHW-NQIIRXRSSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000278376455 455833917 /nfs/dbraw/zinc/83/39/17/455833917.db2.gz DWDSVMAGISSTHW-NQIIRXRSSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1ccccc1 ZINC000285403004 455837560 /nfs/dbraw/zinc/83/75/60/455837560.db2.gz VVTQIBADNWVBRQ-APWZRJJASA-N 2 1 348.450 3.117 20 0 EGADMP CC(C)[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)C(=O)OC(C)(C)C ZINC000272093942 455844714 /nfs/dbraw/zinc/84/47/14/455844714.db2.gz YDJQCFOPBSYJFC-QGZVFWFLSA-N 2 1 333.476 3.006 20 0 EGADMP C[C@H](C[S@](C)=O)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000285490268 455856754 /nfs/dbraw/zinc/85/67/54/455856754.db2.gz AHBMSKPEKOERHG-DIQOAJQMSA-N 2 1 348.556 3.034 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000187009302 455862274 /nfs/dbraw/zinc/86/22/74/455862274.db2.gz ACDUKMCFUIIPOU-BEFAXECRSA-N 2 1 340.458 3.234 20 0 EGADMP CCOC[C@@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@@H](COCC)C2)C1 ZINC000255519247 455869406 /nfs/dbraw/zinc/86/94/06/455869406.db2.gz OWHUOWDCJWXLDS-SBUVDCAVSA-N 2 1 338.536 3.040 20 0 EGADMP C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285620007 455882782 /nfs/dbraw/zinc/88/27/82/455882782.db2.gz WLMLHHLIASDDTO-SJPCQFCGSA-N 2 1 335.879 3.226 20 0 EGADMP C[NH+](CCC(=O)Nc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285620007 455882784 /nfs/dbraw/zinc/88/27/84/455882784.db2.gz WLMLHHLIASDDTO-SJPCQFCGSA-N 2 1 335.879 3.226 20 0 EGADMP C[NH+](CCC(=O)Nc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285620007 455882787 /nfs/dbraw/zinc/88/27/87/455882787.db2.gz WLMLHHLIASDDTO-SJPCQFCGSA-N 2 1 335.879 3.226 20 0 EGADMP CCc1ccc2c(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cc(=O)oc2c1 ZINC000285624858 455883680 /nfs/dbraw/zinc/88/36/80/455883680.db2.gz WRJJJYUOWHGKPT-JWTNVVGKSA-N 2 1 340.467 3.412 20 0 EGADMP CCc1ccc2c(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cc(=O)oc2c1 ZINC000285624858 455883684 /nfs/dbraw/zinc/88/36/84/455883684.db2.gz WRJJJYUOWHGKPT-JWTNVVGKSA-N 2 1 340.467 3.412 20 0 EGADMP CCc1ccc2c(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc(=O)oc2c1 ZINC000285624858 455883688 /nfs/dbraw/zinc/88/36/88/455883688.db2.gz WRJJJYUOWHGKPT-JWTNVVGKSA-N 2 1 340.467 3.412 20 0 EGADMP CCc1ccc2c(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc(=O)oc2c1 ZINC000285624858 455883693 /nfs/dbraw/zinc/88/36/93/455883693.db2.gz WRJJJYUOWHGKPT-JWTNVVGKSA-N 2 1 340.467 3.412 20 0 EGADMP C[C@H]([NH2+]C1CC1)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000296226866 455885880 /nfs/dbraw/zinc/88/58/80/455885880.db2.gz CCDUKPUAOMDDTO-INIZCTEOSA-N 2 1 343.515 3.208 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc(C(C)=O)c2)CC1 ZINC000296307603 455905307 /nfs/dbraw/zinc/90/53/07/455905307.db2.gz NEHSOKFSSJXXTC-UHFFFAOYSA-N 2 1 346.515 3.460 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Br)c4cccnc34)C[C@@H]12 ZINC000261612659 455913477 /nfs/dbraw/zinc/91/34/77/455913477.db2.gz FEAGHVSYXSZCDQ-DJSGYFEHSA-N 2 1 346.272 3.166 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Br)c4cccnc34)C[C@@H]12 ZINC000261612659 455913479 /nfs/dbraw/zinc/91/34/79/455913479.db2.gz FEAGHVSYXSZCDQ-DJSGYFEHSA-N 2 1 346.272 3.166 20 0 EGADMP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272372796 455928737 /nfs/dbraw/zinc/92/87/37/455928737.db2.gz UZEWIRHGFMMSKB-ABHMUUKNSA-N 2 1 328.500 3.300 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc(N)s1 ZINC000261697599 455930366 /nfs/dbraw/zinc/93/03/66/455930366.db2.gz IBUGBVJCZCBQCH-CQSZACIVSA-N 2 1 330.501 3.390 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000285927201 455943574 /nfs/dbraw/zinc/94/35/74/455943574.db2.gz FBWRSDWFERMHQA-ZWKOTPCHSA-N 2 1 335.398 3.450 20 0 EGADMP Clc1cc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC000280317517 455946745 /nfs/dbraw/zinc/94/67/45/455946745.db2.gz GMGZJDDBGHOEQT-HDICACEKSA-N 2 1 327.859 3.299 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261803729 455951447 /nfs/dbraw/zinc/95/14/47/455951447.db2.gz RFQMWJXKWMOYSK-FUHIMQAGSA-N 2 1 343.515 3.052 20 0 EGADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000285988946 455956294 /nfs/dbraw/zinc/95/62/94/455956294.db2.gz HZCGSUBHVRLBAS-HXUWFJFHSA-N 2 1 336.439 3.169 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000261886482 455965473 /nfs/dbraw/zinc/96/54/73/455965473.db2.gz VGMLBBGRXSCEGO-HKUYNNGSSA-N 2 1 343.515 3.067 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC2(C)CC[NH+](C)CC2)cc1)C(C)C ZINC000272489101 455968526 /nfs/dbraw/zinc/96/85/26/455968526.db2.gz DKROJGSUOOBMNZ-UHFFFAOYSA-N 2 1 345.531 3.379 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2CC[NH3+])cc1 ZINC000286095914 455977125 /nfs/dbraw/zinc/97/71/25/455977125.db2.gz NKORIHHVFPSSCL-IBGZPJMESA-N 2 1 331.504 3.262 20 0 EGADMP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000261976952 455979641 /nfs/dbraw/zinc/97/96/41/455979641.db2.gz GJTFMDDNGMRKPE-GFCCVEGCSA-N 2 1 341.858 3.128 20 0 EGADMP CCC[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)C1CC[NH2+]CC1 ZINC000261994017 455982591 /nfs/dbraw/zinc/98/25/91/455982591.db2.gz SRDJIMCJHRIZQW-UHFFFAOYSA-N 2 1 330.451 3.035 20 0 EGADMP CCC[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)C1CC[NH2+]CC1 ZINC000261994017 455982596 /nfs/dbraw/zinc/98/25/96/455982596.db2.gz SRDJIMCJHRIZQW-UHFFFAOYSA-N 2 1 330.451 3.035 20 0 EGADMP Clc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1Cl ZINC000262010224 455984883 /nfs/dbraw/zinc/98/48/83/455984883.db2.gz VLIYNYBMVBIVLA-IMJJTQAJSA-N 2 1 343.298 3.283 20 0 EGADMP Fc1cccc(-c2ccc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)s2)c1 ZINC000262086702 455994406 /nfs/dbraw/zinc/99/44/06/455994406.db2.gz GBGAXGMQNFCOLL-KRWDZBQOSA-N 2 1 345.487 3.034 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000270627225 455999241 /nfs/dbraw/zinc/99/92/41/455999241.db2.gz KZAXUENUZLKAJV-UHFFFAOYSA-N 2 1 341.455 3.412 20 0 EGADMP CC(C)SCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286213158 456002125 /nfs/dbraw/zinc/00/21/25/456002125.db2.gz YKBLCNWGGISJJS-FQEVSTJZSA-N 2 1 347.572 3.020 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1)C(C)C ZINC000272640818 456022848 /nfs/dbraw/zinc/02/28/48/456022848.db2.gz OHKWAARXWDTGMA-QUCCMNQESA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1)C(C)C ZINC000272640818 456022856 /nfs/dbraw/zinc/02/28/56/456022856.db2.gz OHKWAARXWDTGMA-QUCCMNQESA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1)C(C)C ZINC000272640818 456022863 /nfs/dbraw/zinc/02/28/63/456022863.db2.gz OHKWAARXWDTGMA-QUCCMNQESA-N 2 1 343.515 3.083 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286379606 456036067 /nfs/dbraw/zinc/03/60/67/456036067.db2.gz ZZAVPKCOSSBWLB-IAGOWNOFSA-N 2 1 327.476 3.038 20 0 EGADMP C[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cc1 ZINC000272692284 456040814 /nfs/dbraw/zinc/04/08/14/456040814.db2.gz DQLLUCHYOZPVQT-IIBYNOLFSA-N 2 1 342.458 3.286 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)c2C1 ZINC000262655745 456051401 /nfs/dbraw/zinc/05/14/01/456051401.db2.gz UILIVOVWVOGMMQ-HOTGVXAUSA-N 2 1 329.488 3.377 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)c2C1 ZINC000262655745 456051405 /nfs/dbraw/zinc/05/14/05/456051405.db2.gz UILIVOVWVOGMMQ-HOTGVXAUSA-N 2 1 329.488 3.377 20 0 EGADMP CCC[N@@H+](C)[C@@H](CNC(=O)Cn1ccnc1C)c1ccc(Cl)cc1 ZINC000297208696 456150575 /nfs/dbraw/zinc/15/05/75/456150575.db2.gz WQPFCXCIWBKTKL-KRWDZBQOSA-N 2 1 348.878 3.044 20 0 EGADMP CCC[N@H+](C)[C@@H](CNC(=O)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000297208696 456150580 /nfs/dbraw/zinc/15/05/80/456150580.db2.gz WQPFCXCIWBKTKL-KRWDZBQOSA-N 2 1 348.878 3.044 20 0 EGADMP Cc1nc(C)c(C)c(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)n1 ZINC000301715168 456195764 /nfs/dbraw/zinc/19/57/64/456195764.db2.gz ZSTSYPFDRAXVJF-AWEZNQCLSA-N 2 1 340.471 3.235 20 0 EGADMP Cc1nc(C)c(C)c(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)n1 ZINC000301715168 456195773 /nfs/dbraw/zinc/19/57/73/456195773.db2.gz ZSTSYPFDRAXVJF-AWEZNQCLSA-N 2 1 340.471 3.235 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)C1 ZINC000236938395 456206113 /nfs/dbraw/zinc/20/61/13/456206113.db2.gz KDMDKCGTDOJITB-IAGOWNOFSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@H](CCCCO)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000273187543 456206421 /nfs/dbraw/zinc/20/64/21/456206421.db2.gz GAGGMJFQFQFBNX-GFOJFJKKSA-N 2 1 330.516 3.428 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189040414 456208697 /nfs/dbraw/zinc/20/86/97/456208697.db2.gz RCTPGIVXAOEDOJ-FGZHOGPDSA-N 2 1 343.559 3.405 20 0 EGADMP C[NH+](C)C[C@@H](NCc1ccc(-n2ccnc2)cc1)c1ccc(F)cc1 ZINC000290157800 456255585 /nfs/dbraw/zinc/25/55/85/456255585.db2.gz PTLYQVUGHQDRCM-HXUWFJFHSA-N 2 1 338.430 3.404 20 0 EGADMP COc1ccc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)c(Cl)c1 ZINC000352760503 456281650 /nfs/dbraw/zinc/28/16/50/456281650.db2.gz PTPXTDICSLJFGJ-UHFFFAOYSA-N 2 1 339.892 3.199 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000290305532 456285182 /nfs/dbraw/zinc/28/51/82/456285182.db2.gz BRNNDKIMGZFSTA-LAUBAEHRSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000290305532 456285190 /nfs/dbraw/zinc/28/51/90/456285190.db2.gz BRNNDKIMGZFSTA-LAUBAEHRSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000290305532 456285196 /nfs/dbraw/zinc/28/51/96/456285196.db2.gz BRNNDKIMGZFSTA-LAUBAEHRSA-N 2 1 339.483 3.433 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000290305532 456285204 /nfs/dbraw/zinc/28/52/04/456285204.db2.gz BRNNDKIMGZFSTA-LAUBAEHRSA-N 2 1 339.483 3.433 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2cn3c(n2)CCCC3)C[C@@H]1c1ccccc1 ZINC000340176364 456292210 /nfs/dbraw/zinc/29/22/10/456292210.db2.gz WSPWPFAGQZZYLI-AZUAARDMSA-N 2 1 338.499 3.187 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cn3c(n2)CCCC3)C[C@@H]1c1ccccc1 ZINC000340176364 456292219 /nfs/dbraw/zinc/29/22/19/456292219.db2.gz WSPWPFAGQZZYLI-AZUAARDMSA-N 2 1 338.499 3.187 20 0 EGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275712080 456293541 /nfs/dbraw/zinc/29/35/41/456293541.db2.gz UQZAIJZHWBLRDN-GOSISDBHSA-N 2 1 346.519 3.129 20 0 EGADMP C[NH+](C)Cc1cnc(CNCc2ccccc2Br)s1 ZINC000352781891 456299479 /nfs/dbraw/zinc/29/94/79/456299479.db2.gz AEGMAZVDDURNLU-UHFFFAOYSA-N 2 1 340.290 3.257 20 0 EGADMP CN(C(=O)C[N@@H+](C)Cc1ccccc1)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000352786660 456305953 /nfs/dbraw/zinc/30/59/53/456305953.db2.gz ADYQMWBPYNSSPA-FQEVSTJZSA-N 2 1 348.450 3.090 20 0 EGADMP Cc1nccn1CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000297996066 456339759 /nfs/dbraw/zinc/33/97/59/456339759.db2.gz ZFLHXURXWMPOGB-OAHLLOKOSA-N 2 1 326.444 3.205 20 0 EGADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000297996066 456339765 /nfs/dbraw/zinc/33/97/65/456339765.db2.gz ZFLHXURXWMPOGB-OAHLLOKOSA-N 2 1 326.444 3.205 20 0 EGADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000297996066 456339769 /nfs/dbraw/zinc/33/97/69/456339769.db2.gz ZFLHXURXWMPOGB-OAHLLOKOSA-N 2 1 326.444 3.205 20 0 EGADMP CC(C)CC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352838210 456352127 /nfs/dbraw/zinc/35/21/27/456352127.db2.gz JIXWQGIQYMHIKN-NHCUHLMSSA-N 2 1 330.516 3.382 20 0 EGADMP CC(C)CC[C@@H](O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352838210 456352135 /nfs/dbraw/zinc/35/21/35/456352135.db2.gz JIXWQGIQYMHIKN-NHCUHLMSSA-N 2 1 330.516 3.382 20 0 EGADMP CC(C)CC[C@@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352838210 456352140 /nfs/dbraw/zinc/35/21/40/456352140.db2.gz JIXWQGIQYMHIKN-NHCUHLMSSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000290544553 456359952 /nfs/dbraw/zinc/35/99/52/456359952.db2.gz RLJDGSMIUZEFKA-QAPCUYQASA-N 2 1 326.444 3.041 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000290544553 456359958 /nfs/dbraw/zinc/35/99/58/456359958.db2.gz RLJDGSMIUZEFKA-QAPCUYQASA-N 2 1 326.444 3.041 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000290544553 456359962 /nfs/dbraw/zinc/35/99/62/456359962.db2.gz RLJDGSMIUZEFKA-QAPCUYQASA-N 2 1 326.444 3.041 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000290544553 456359968 /nfs/dbraw/zinc/35/99/68/456359968.db2.gz RLJDGSMIUZEFKA-QAPCUYQASA-N 2 1 326.444 3.041 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000340318198 456385161 /nfs/dbraw/zinc/38/51/61/456385161.db2.gz OFOFQXRWFSAXHN-PWRODBHTSA-N 2 1 342.458 3.154 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000340318198 456385168 /nfs/dbraw/zinc/38/51/68/456385168.db2.gz OFOFQXRWFSAXHN-PWRODBHTSA-N 2 1 342.458 3.154 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2cc(C)n(C)n2)cc1 ZINC000282072457 456406753 /nfs/dbraw/zinc/40/67/53/456406753.db2.gz HCYZIRHPONLXOJ-KRWDZBQOSA-N 2 1 344.503 3.300 20 0 EGADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000282175467 456434919 /nfs/dbraw/zinc/43/49/19/456434919.db2.gz FHFVHWHIDGITAO-KRWDZBQOSA-N 2 1 325.447 3.032 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OCC(C)C ZINC000340414567 456447435 /nfs/dbraw/zinc/44/74/35/456447435.db2.gz IMDAFLGUHHWOEA-ROUUACIJSA-N 2 1 332.488 3.446 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OCC(C)C ZINC000340414567 456447438 /nfs/dbraw/zinc/44/74/38/456447438.db2.gz IMDAFLGUHHWOEA-ROUUACIJSA-N 2 1 332.488 3.446 20 0 EGADMP COc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1OC(F)F ZINC000340433319 456457550 /nfs/dbraw/zinc/45/75/50/456457550.db2.gz LADKSLIBJGDBMY-UHFFFAOYSA-N 2 1 340.414 3.403 20 0 EGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000303514339 456465212 /nfs/dbraw/zinc/46/52/12/456465212.db2.gz DGDCNNABTATLSF-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC000282300164 456470620 /nfs/dbraw/zinc/47/06/20/456470620.db2.gz MGLBGPBQXGALOK-CQSZACIVSA-N 2 1 343.437 3.382 20 0 EGADMP Cc1ccoc1C[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000343270207 456498492 /nfs/dbraw/zinc/49/84/92/456498492.db2.gz MPWFXUPEKQZUGF-LJQANCHMSA-N 2 1 327.472 3.056 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cncc(Br)c1 ZINC000657825084 462285116 /nfs/dbraw/zinc/28/51/16/462285116.db2.gz WKTYPRSEXPBACB-CYBMUJFWSA-N 2 1 326.282 3.371 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cn(C(C)(C)C)nn1 ZINC000276644795 456540456 /nfs/dbraw/zinc/54/04/56/456540456.db2.gz RRADYWMCZHZYRT-APWZRJJASA-N 2 1 341.503 3.033 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CCCCO1 ZINC000291203578 456563380 /nfs/dbraw/zinc/56/33/80/456563380.db2.gz QKFCCBJSZOBRNS-UZLBHIALSA-N 2 1 334.479 3.380 20 0 EGADMP C[C@@H]([NH2+]CCC(=O)Nc1cccc(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000298914728 456568145 /nfs/dbraw/zinc/56/81/45/456568145.db2.gz NGINXDRKNZPNNG-CVEARBPZSA-N 2 1 347.478 3.397 20 0 EGADMP CC(C)(C)OC(=O)NCCC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309740642 456575597 /nfs/dbraw/zinc/57/55/97/456575597.db2.gz RRJNGMXLXURMQG-SFHVURJKSA-N 2 1 347.503 3.013 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000310124040 456579552 /nfs/dbraw/zinc/57/95/52/456579552.db2.gz VVMQDJWDZSSSTG-MGNMYUMUSA-N 2 1 339.524 3.235 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000310124040 456579557 /nfs/dbraw/zinc/57/95/57/456579557.db2.gz VVMQDJWDZSSSTG-MGNMYUMUSA-N 2 1 339.524 3.235 20 0 EGADMP CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310279454 456581875 /nfs/dbraw/zinc/58/18/75/456581875.db2.gz PFDLITQIAPSXRI-MRXNPFEDSA-N 2 1 339.524 3.286 20 0 EGADMP COC(=O)C1CCC([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000310934588 456585221 /nfs/dbraw/zinc/58/52/21/456585221.db2.gz IDSRSPQVJOXAPH-VHBXLISGSA-N 2 1 344.499 3.218 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cc1O ZINC000353259920 456593525 /nfs/dbraw/zinc/59/35/25/456593525.db2.gz FNVXFZVYMOZQGY-HNNXBMFYSA-N 2 1 341.455 3.424 20 0 EGADMP COCCCn1nccc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000282722487 456603386 /nfs/dbraw/zinc/60/33/86/456603386.db2.gz RVUSGLRMYABFIY-UHFFFAOYSA-N 2 1 344.503 3.050 20 0 EGADMP CCCCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OCC ZINC000340674607 456615258 /nfs/dbraw/zinc/61/52/58/456615258.db2.gz XIUADFCZIJPLBS-FQEVSTJZSA-N 2 1 332.488 3.450 20 0 EGADMP CCCCOc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OCC ZINC000340674607 456615263 /nfs/dbraw/zinc/61/52/63/456615263.db2.gz XIUADFCZIJPLBS-FQEVSTJZSA-N 2 1 332.488 3.450 20 0 EGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000282766197 456619112 /nfs/dbraw/zinc/61/91/12/456619112.db2.gz WMOHAJXYEWBFBK-UHFFFAOYSA-N 2 1 341.503 3.096 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000348323129 456622518 /nfs/dbraw/zinc/62/25/18/456622518.db2.gz JJKSHEBZRLMBKZ-VDGAXYAQSA-N 2 1 333.520 3.006 20 0 EGADMP CC[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000340689529 456628061 /nfs/dbraw/zinc/62/80/61/456628061.db2.gz HTZJPTNPWNJJCP-GOSISDBHSA-N 2 1 347.528 3.048 20 0 EGADMP [NH3+]CCCOC1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000322421831 456648081 /nfs/dbraw/zinc/64/80/81/456648081.db2.gz MAYJSGUYUIRNGE-UHFFFAOYSA-N 2 1 334.357 3.174 20 0 EGADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2C)c2ccccc21 ZINC000282997927 456684428 /nfs/dbraw/zinc/68/44/28/456684428.db2.gz GBFIRSNQFQPODD-OALUTQOASA-N 2 1 341.455 3.353 20 0 EGADMP CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000277171126 456706522 /nfs/dbraw/zinc/70/65/22/456706522.db2.gz KRYLENVLFSOWKX-AWEZNQCLSA-N 2 1 333.432 3.298 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000277171126 456706528 /nfs/dbraw/zinc/70/65/28/456706528.db2.gz KRYLENVLFSOWKX-AWEZNQCLSA-N 2 1 333.432 3.298 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000283194080 456732813 /nfs/dbraw/zinc/73/28/13/456732813.db2.gz KVXGNYVIDDWKCA-CWFSZBLJSA-N 2 1 342.483 3.242 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)cc1)C(C)C ZINC000299621774 456746577 /nfs/dbraw/zinc/74/65/77/456746577.db2.gz DWYLWHJGEBGZLY-UXHICEINSA-N 2 1 343.515 3.274 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1)C(C)C ZINC000299621774 456746583 /nfs/dbraw/zinc/74/65/83/456746583.db2.gz DWYLWHJGEBGZLY-UXHICEINSA-N 2 1 343.515 3.274 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1)C(C)C ZINC000299621774 456746589 /nfs/dbraw/zinc/74/65/89/456746589.db2.gz DWYLWHJGEBGZLY-UXHICEINSA-N 2 1 343.515 3.274 20 0 EGADMP Cc1cccc2ncc(CN3CC[N@H+](Cc4ccccc4)C[C@@H]3C)n21 ZINC000353559548 456759204 /nfs/dbraw/zinc/75/92/04/456759204.db2.gz GFWBPHUNYHPULN-SFHVURJKSA-N 2 1 334.467 3.349 20 0 EGADMP Cc1cccc2ncc(CN3CCN(Cc4ccccc4)C[C@@H]3C)n21 ZINC000353559548 456759208 /nfs/dbraw/zinc/75/92/08/456759208.db2.gz GFWBPHUNYHPULN-SFHVURJKSA-N 2 1 334.467 3.349 20 0 EGADMP C[C@H]1C[N@H+]([C@H]2CCCc3ccc(F)cc32)CCN1C1CC[NH+](C)CC1 ZINC000343692111 456767188 /nfs/dbraw/zinc/76/71/88/456767188.db2.gz AQWYUPLXAKAJOG-KKSFZXQISA-N 2 1 345.506 3.303 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OCc2ccncc2)C1 ZINC000353585664 456784399 /nfs/dbraw/zinc/78/43/99/456784399.db2.gz UTZMDTNHWKWSRU-SFHVURJKSA-N 2 1 325.456 3.044 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccncc2)C1 ZINC000353585664 456784404 /nfs/dbraw/zinc/78/44/04/456784404.db2.gz UTZMDTNHWKWSRU-SFHVURJKSA-N 2 1 325.456 3.044 20 0 EGADMP CC(C)c1nccn1CCC(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000345000745 456892700 /nfs/dbraw/zinc/89/27/00/456892700.db2.gz JPCMTZBDIMLYIQ-FGTMMUONSA-N 2 1 346.519 3.260 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000345000745 456892706 /nfs/dbraw/zinc/89/27/06/456892706.db2.gz JPCMTZBDIMLYIQ-FGTMMUONSA-N 2 1 346.519 3.260 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000345000745 456892709 /nfs/dbraw/zinc/89/27/09/456892709.db2.gz JPCMTZBDIMLYIQ-FGTMMUONSA-N 2 1 346.519 3.260 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000345000749 456893048 /nfs/dbraw/zinc/89/30/48/456893048.db2.gz JPCMTZBDIMLYIQ-KURKYZTESA-N 2 1 346.519 3.260 20 0 EGADMP Cc1ccc([C@@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000345016331 456897978 /nfs/dbraw/zinc/89/79/78/456897978.db2.gz JIAKYKYKNDUKRX-WSTZPKSXSA-N 2 1 343.515 3.121 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000349350959 456949759 /nfs/dbraw/zinc/94/97/59/456949759.db2.gz PXEFAIXBCDDLST-UHFFFAOYSA-N 2 1 348.443 3.002 20 0 EGADMP COc1cccc(OC(F)(F)F)c1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000353948400 456976138 /nfs/dbraw/zinc/97/61/38/456976138.db2.gz UMRALOBIEUNAFJ-OLZOCXBDSA-N 2 1 344.377 3.310 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000353971121 456984213 /nfs/dbraw/zinc/98/42/13/456984213.db2.gz IGELWSAVSVCKFM-PKOBYXMFSA-N 2 1 333.520 3.152 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000353971121 456984214 /nfs/dbraw/zinc/98/42/14/456984214.db2.gz IGELWSAVSVCKFM-PKOBYXMFSA-N 2 1 333.520 3.152 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000353986161 456990140 /nfs/dbraw/zinc/99/01/40/456990140.db2.gz HGCWZTGONNGAAP-IEBWSBKVSA-N 2 1 333.520 3.152 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000353986161 456990145 /nfs/dbraw/zinc/99/01/45/456990145.db2.gz HGCWZTGONNGAAP-IEBWSBKVSA-N 2 1 333.520 3.152 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000354099206 457061574 /nfs/dbraw/zinc/06/15/74/457061574.db2.gz BXZGREXTQJTHGY-QGZVFWFLSA-N 2 1 342.430 3.221 20 0 EGADMP c1ccc([C@@H](CNc2cc[nH+]c3ccccc23)[NH+]2CCOCC2)cc1 ZINC000346595119 457066283 /nfs/dbraw/zinc/06/62/83/457066283.db2.gz RQYWWQIMBXASRP-OAQYLSRUSA-N 2 1 333.435 3.142 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000354108373 457068666 /nfs/dbraw/zinc/06/86/66/457068666.db2.gz VHYQOGOMMNYPOP-MRXNPFEDSA-N 2 1 328.859 3.412 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000354108373 457068669 /nfs/dbraw/zinc/06/86/69/457068669.db2.gz VHYQOGOMMNYPOP-MRXNPFEDSA-N 2 1 328.859 3.412 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCC[NH+](C(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000339390795 457088057 /nfs/dbraw/zinc/08/80/57/457088057.db2.gz HPDHZDCVCWPHTC-WOJBJXKFSA-N 2 1 345.531 3.134 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[NH+](C)Cc1ccccc1 ZINC000339390795 457088063 /nfs/dbraw/zinc/08/80/63/457088063.db2.gz HPDHZDCVCWPHTC-WOJBJXKFSA-N 2 1 345.531 3.134 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[NH+](C)Cc1ccccc1 ZINC000339390795 457088068 /nfs/dbraw/zinc/08/80/68/457088068.db2.gz HPDHZDCVCWPHTC-WOJBJXKFSA-N 2 1 345.531 3.134 20 0 EGADMP Cc1ccc(CCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cn1 ZINC000339410360 457097382 /nfs/dbraw/zinc/09/73/82/457097382.db2.gz RIPZWSXFNLKZTN-NRFANRHFSA-N 2 1 338.499 3.362 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC000342085338 457099468 /nfs/dbraw/zinc/09/94/68/457099468.db2.gz MSBOEWBUSOITRG-DAXOMENPSA-N 2 1 328.378 3.143 20 0 EGADMP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000349913196 457105743 /nfs/dbraw/zinc/10/57/43/457105743.db2.gz HVZHEFGUYVPHFY-UHFFFAOYSA-N 2 1 349.482 3.161 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000346694553 457115930 /nfs/dbraw/zinc/11/59/30/457115930.db2.gz UVBQFOUPMGGQIB-HXUWFJFHSA-N 2 1 327.472 3.466 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@H]21 ZINC000342141441 457132191 /nfs/dbraw/zinc/13/21/91/457132191.db2.gz VAUXSQXWSSDRMJ-CEWLAPEOSA-N 2 1 349.478 3.498 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@@H]21 ZINC000342141448 457132706 /nfs/dbraw/zinc/13/27/06/457132706.db2.gz VAUXSQXWSSDRMJ-SESVDKBCSA-N 2 1 349.478 3.498 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2Cl)C[C@@H]1C ZINC000354209667 457133894 /nfs/dbraw/zinc/13/38/94/457133894.db2.gz RENSFQVQNWGUJD-GJZGRUSLSA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2Cl)C[C@@H]1C ZINC000354209667 457133899 /nfs/dbraw/zinc/13/38/99/457133899.db2.gz RENSFQVQNWGUJD-GJZGRUSLSA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2Cl)C[C@@H]1C ZINC000354209667 457133901 /nfs/dbraw/zinc/13/39/01/457133901.db2.gz RENSFQVQNWGUJD-GJZGRUSLSA-N 2 1 337.895 3.473 20 0 EGADMP CC(C)[N@H+]1CCc2nc(CNc3cc4c(c[nH+]3)CCC4)sc2C1 ZINC000339556947 457142904 /nfs/dbraw/zinc/14/29/04/457142904.db2.gz ZDGBZXQLHAUKCT-UHFFFAOYSA-N 2 1 328.485 3.405 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC[N@@H+]1C ZINC000350050946 457156238 /nfs/dbraw/zinc/15/62/38/457156238.db2.gz SSAHEWQMSXVXIQ-YPMHNXCESA-N 2 1 334.357 3.339 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC[N@H+]1C ZINC000350050946 457156245 /nfs/dbraw/zinc/15/62/45/457156245.db2.gz SSAHEWQMSXVXIQ-YPMHNXCESA-N 2 1 334.357 3.339 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000354444839 457227059 /nfs/dbraw/zinc/22/70/59/457227059.db2.gz YJTBHHCAFNWWDM-AOIWGVFYSA-N 2 1 343.515 3.059 20 0 EGADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC(F)F ZINC000360054052 457227799 /nfs/dbraw/zinc/22/77/99/457227799.db2.gz MNTPHGVZPPFQJB-SGMGOOAPSA-N 2 1 328.403 3.430 20 0 EGADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC(F)F ZINC000360054052 457227806 /nfs/dbraw/zinc/22/78/06/457227806.db2.gz MNTPHGVZPPFQJB-SGMGOOAPSA-N 2 1 328.403 3.430 20 0 EGADMP CCOC[C@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000354467017 457242306 /nfs/dbraw/zinc/24/23/06/457242306.db2.gz RJFMIVBCZMEBFR-MJGOQNOKSA-N 2 1 338.536 3.205 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000339802932 457278746 /nfs/dbraw/zinc/27/87/46/457278746.db2.gz IGMZDKPEGFGXPQ-KRWDZBQOSA-N 2 1 331.504 3.133 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)cs1 ZINC000357039887 457292800 /nfs/dbraw/zinc/29/28/00/457292800.db2.gz BCBBLUBBPVJWIL-IAGOWNOFSA-N 2 1 343.496 3.072 20 0 EGADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)cs1 ZINC000357039887 457292807 /nfs/dbraw/zinc/29/28/07/457292807.db2.gz BCBBLUBBPVJWIL-IAGOWNOFSA-N 2 1 343.496 3.072 20 0 EGADMP CCOc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000351472294 457298419 /nfs/dbraw/zinc/29/84/19/457298419.db2.gz AOEQPLABDZMWHS-WBAXXEDZSA-N 2 1 343.496 3.378 20 0 EGADMP CCOc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000351472294 457298423 /nfs/dbraw/zinc/29/84/23/457298423.db2.gz AOEQPLABDZMWHS-WBAXXEDZSA-N 2 1 343.496 3.378 20 0 EGADMP Cn1c2ccc(Cl)cc2nc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347227817 457299169 /nfs/dbraw/zinc/29/91/69/457299169.db2.gz WLRZURXNHPOUFX-HNNXBMFYSA-N 2 1 332.879 3.191 20 0 EGADMP Cn1c2ccc(Cl)cc2nc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357061246 457304139 /nfs/dbraw/zinc/30/41/39/457304139.db2.gz ZVORLMWZKSVVMN-CQSZACIVSA-N 2 1 332.879 3.048 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCC(C)CC2)CC1)CC1CC1 ZINC000357074118 457308560 /nfs/dbraw/zinc/30/85/60/457308560.db2.gz FPIMKSXUTXBQFB-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357083965 457313298 /nfs/dbraw/zinc/31/32/98/457313298.db2.gz JBCBHMQVNRNABM-MAUKXSAKSA-N 2 1 340.471 3.043 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000355406066 457370795 /nfs/dbraw/zinc/37/07/95/457370795.db2.gz BYKOAMQVVYBBBV-IYBDPMFKSA-N 2 1 344.503 3.004 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000382693687 457423363 /nfs/dbraw/zinc/42/33/63/457423363.db2.gz IWTOBYAQWVBNBL-QUCCMNQESA-N 2 1 345.531 3.121 20 0 EGADMP Cc1ccc(-c2noc(CCC[N@H+]3CCCC[C@H]3CC[NH3+])n2)cc1F ZINC000352509897 457427485 /nfs/dbraw/zinc/42/74/85/457427485.db2.gz LYHFPMINLQEOQF-INIZCTEOSA-N 2 1 346.450 3.320 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352539928 457450697 /nfs/dbraw/zinc/45/06/97/457450697.db2.gz FCILAACKQWNOIF-IBGZPJMESA-N 2 1 325.456 3.461 20 0 EGADMP CN(CC[N@@H+](C)Cc1cc2ccccc2s1)C1CC[NH+](C)CC1 ZINC000347479540 457454756 /nfs/dbraw/zinc/45/47/56/457454756.db2.gz CHNALWYINMXSKY-UHFFFAOYSA-N 2 1 331.529 3.359 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360987561 457491673 /nfs/dbraw/zinc/49/16/73/457491673.db2.gz QYIBCQMDWKYPLZ-OKILXGFUSA-N 2 1 328.451 3.205 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000398041131 457494129 /nfs/dbraw/zinc/49/41/29/457494129.db2.gz RXWFALASUMRVCW-YJBOKZPZSA-N 2 1 332.879 3.037 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400385230 457514557 /nfs/dbraw/zinc/51/45/57/457514557.db2.gz YBEGALRZTKCYGJ-ZOBUZTSGSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400385230 457514565 /nfs/dbraw/zinc/51/45/65/457514565.db2.gz YBEGALRZTKCYGJ-ZOBUZTSGSA-N 2 1 339.524 3.094 20 0 EGADMP Cc1nccn1CCC[N@@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000347579615 457522938 /nfs/dbraw/zinc/52/29/38/457522938.db2.gz JZTNOQPVFGQMQX-QZTJIDSGSA-N 2 1 326.488 3.176 20 0 EGADMP CCCCCC[C@@H](C)CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364204995 457524931 /nfs/dbraw/zinc/52/49/31/457524931.db2.gz DJKXSDKNGFLGNL-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C)C(C)C ZINC000352688250 457532343 /nfs/dbraw/zinc/53/23/43/457532343.db2.gz WAFYPBCUASJJPK-PKOBYXMFSA-N 2 1 348.535 3.016 20 0 EGADMP COc1ccccc1C1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCC1 ZINC000352733547 457568315 /nfs/dbraw/zinc/56/83/15/457568315.db2.gz SIJAGUHIVYBMCA-UHFFFAOYSA-N 2 1 345.512 3.425 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000361087912 457576168 /nfs/dbraw/zinc/57/61/68/457576168.db2.gz NZPOHCAIWSDGGV-UHFFFAOYSA-N 2 1 329.492 3.361 20 0 EGADMP Cc1noc([C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000408521395 457578235 /nfs/dbraw/zinc/57/82/35/457578235.db2.gz SDJLVEFEZPXBSE-LJQANCHMSA-N 2 1 340.471 3.353 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCCOCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000410088037 457628985 /nfs/dbraw/zinc/62/89/85/457628985.db2.gz JMYUYMKOYIJQRB-YADHBBJMSA-N 2 1 338.495 3.310 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1)C(C)C ZINC000374622470 457674907 /nfs/dbraw/zinc/67/49/07/457674907.db2.gz LHIWWUSILHAWEK-ZCNNSNEGSA-N 2 1 343.515 3.116 20 0 EGADMP COC[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C1CCCC1 ZINC000364733615 457683160 /nfs/dbraw/zinc/68/31/60/457683160.db2.gz LGNVWZAFPISDHG-IBGZPJMESA-N 2 1 349.519 3.298 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000357842531 457708180 /nfs/dbraw/zinc/70/81/80/457708180.db2.gz BLOXMPUNVQNHGI-UMVBOHGHSA-N 2 1 345.409 3.188 20 0 EGADMP C[N@@H+](CCOc1cccc(C[NH2+]C2CC(C)(C)C2)c1)C1CCOCC1 ZINC000433177560 457769708 /nfs/dbraw/zinc/76/97/08/457769708.db2.gz QXNDGZXXLMVNLW-UHFFFAOYSA-N 2 1 346.515 3.454 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000361611552 457804973 /nfs/dbraw/zinc/80/49/73/457804973.db2.gz SOODPTZAVDRXEF-IEBWSBKVSA-N 2 1 343.515 3.237 20 0 EGADMP Cn1cc([C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)cn1 ZINC000411277528 457848622 /nfs/dbraw/zinc/84/86/22/457848622.db2.gz WWQUAARQGGDGLQ-HXUWFJFHSA-N 2 1 338.499 3.396 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000444177230 457864623 /nfs/dbraw/zinc/86/46/23/457864623.db2.gz TXMJCSYANMFKDG-MRXNPFEDSA-N 2 1 335.467 3.269 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000444177230 457864628 /nfs/dbraw/zinc/86/46/28/457864628.db2.gz TXMJCSYANMFKDG-MRXNPFEDSA-N 2 1 335.467 3.269 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000444177230 457864632 /nfs/dbraw/zinc/86/46/32/457864632.db2.gz TXMJCSYANMFKDG-MRXNPFEDSA-N 2 1 335.467 3.269 20 0 EGADMP CCOCCO[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411396629 457873373 /nfs/dbraw/zinc/87/33/73/457873373.db2.gz KAQAPQGJLARRKI-NRFANRHFSA-N 2 1 346.515 3.300 20 0 EGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000358257630 457892866 /nfs/dbraw/zinc/89/28/66/457892866.db2.gz SFSWIGIMHOYXBM-OXQOHEQNSA-N 2 1 326.440 3.196 20 0 EGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000358257630 457892868 /nfs/dbraw/zinc/89/28/68/457892868.db2.gz SFSWIGIMHOYXBM-OXQOHEQNSA-N 2 1 326.440 3.196 20 0 EGADMP C[C@@H]([NH2+]CCC(=O)NCC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411516487 457909853 /nfs/dbraw/zinc/90/98/53/457909853.db2.gz KCTQVOQHOZCBBO-IEBWSBKVSA-N 2 1 349.563 3.316 20 0 EGADMP CC1(C)Cc2occc2[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000358317681 457929157 /nfs/dbraw/zinc/92/91/57/457929157.db2.gz LJNYLFKYDCTVPP-FGTMMUONSA-N 2 1 332.488 3.261 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc2c(c1)CC(C)(C)O2 ZINC000371471847 457949430 /nfs/dbraw/zinc/94/94/30/457949430.db2.gz XBJZIVFECYNMAO-GGPKGHCWSA-N 2 1 344.499 3.084 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc2c(c1)CC(C)(C)O2 ZINC000371471847 457949432 /nfs/dbraw/zinc/94/94/32/457949432.db2.gz XBJZIVFECYNMAO-GGPKGHCWSA-N 2 1 344.499 3.084 20 0 EGADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000375649582 458005266 /nfs/dbraw/zinc/00/52/66/458005266.db2.gz RNYFZUJTHPXMHB-LJQANCHMSA-N 2 1 330.520 3.432 20 0 EGADMP CC[N@@H+](C)CCN[C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000428226327 458099942 /nfs/dbraw/zinc/09/99/42/458099942.db2.gz GXCDFSGHWNBELW-QHAWAJNXSA-N 2 1 329.532 3.219 20 0 EGADMP CC[NH+](C)CCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000428226327 458099950 /nfs/dbraw/zinc/09/99/50/458099950.db2.gz GXCDFSGHWNBELW-QHAWAJNXSA-N 2 1 329.532 3.219 20 0 EGADMP CC[NH+](C)CCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428226327 458099958 /nfs/dbraw/zinc/09/99/58/458099958.db2.gz GXCDFSGHWNBELW-QHAWAJNXSA-N 2 1 329.532 3.219 20 0 EGADMP CCN(C)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000428226327 458099966 /nfs/dbraw/zinc/09/99/66/458099966.db2.gz GXCDFSGHWNBELW-QHAWAJNXSA-N 2 1 329.532 3.219 20 0 EGADMP CCN(C)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428226327 458099975 /nfs/dbraw/zinc/09/99/75/458099975.db2.gz GXCDFSGHWNBELW-QHAWAJNXSA-N 2 1 329.532 3.219 20 0 EGADMP CCc1nc(C)c(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000428235957 458102494 /nfs/dbraw/zinc/10/24/94/458102494.db2.gz INHZNEWQHZATGW-SFHVURJKSA-N 2 1 327.472 3.499 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C[N@H+]1C1CC1 ZINC000412179082 458118637 /nfs/dbraw/zinc/11/86/37/458118637.db2.gz UJVWVHBDTCEIBY-APWZRJJASA-N 2 1 341.499 3.028 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000435370309 458122099 /nfs/dbraw/zinc/12/20/99/458122099.db2.gz ICFQFXKJZXLZML-WMZOPIPTSA-N 2 1 340.515 3.398 20 0 EGADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)cc2)cs1 ZINC000435380950 458128365 /nfs/dbraw/zinc/12/83/65/458128365.db2.gz QUIMEAPJXLMMJV-UGSOOPFHSA-N 2 1 331.485 3.200 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435385851 458132593 /nfs/dbraw/zinc/13/25/93/458132593.db2.gz RVCHTEJMELCWGY-SJLPKXTDSA-N 2 1 325.456 3.220 20 0 EGADMP Cc1cc(C)cc(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435430793 458144883 /nfs/dbraw/zinc/14/48/83/458144883.db2.gz FSXRIDGMFOHWMO-LJQANCHMSA-N 2 1 338.499 3.181 20 0 EGADMP Cc1cc(C)cc(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435430793 458144887 /nfs/dbraw/zinc/14/48/87/458144887.db2.gz FSXRIDGMFOHWMO-LJQANCHMSA-N 2 1 338.499 3.181 20 0 EGADMP Fc1cccc(OCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435623681 458174123 /nfs/dbraw/zinc/17/41/23/458174123.db2.gz CXXYBBYEVZMXJX-IBGZPJMESA-N 2 1 343.446 3.244 20 0 EGADMP Fc1cccc(OCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435623681 458174131 /nfs/dbraw/zinc/17/41/31/458174131.db2.gz CXXYBBYEVZMXJX-IBGZPJMESA-N 2 1 343.446 3.244 20 0 EGADMP CC[N@H+](CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435630791 458177813 /nfs/dbraw/zinc/17/78/13/458177813.db2.gz YLWQEJDRGKTENE-TZIWHRDSSA-N 2 1 343.515 3.026 20 0 EGADMP CC[N@@H+](CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435630791 458177816 /nfs/dbraw/zinc/17/78/16/458177816.db2.gz YLWQEJDRGKTENE-TZIWHRDSSA-N 2 1 343.515 3.026 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412356572 458179373 /nfs/dbraw/zinc/17/93/73/458179373.db2.gz LJXYXSIKCKZXBQ-KRWDZBQOSA-N 2 1 331.504 3.131 20 0 EGADMP C(CC1CC[NH+](Cc2nnc3n2CCCCC3)CC1)C[NH+]1CCCC1 ZINC000372136350 458205334 /nfs/dbraw/zinc/20/53/34/458205334.db2.gz NBNRAILEWOTEDM-UHFFFAOYSA-N 2 1 345.535 3.093 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000369561689 458267299 /nfs/dbraw/zinc/26/72/99/458267299.db2.gz PFJXAZABLKTSFB-QYZOEREBSA-N 2 1 332.536 3.404 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1)C1CC1 ZINC000429183118 458288676 /nfs/dbraw/zinc/28/86/76/458288676.db2.gz DZZZJWCTUMFUGG-HXUWFJFHSA-N 2 1 331.504 3.164 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000429243274 458296868 /nfs/dbraw/zinc/29/68/68/458296868.db2.gz DDYSRSOXHZNPNW-QGZVFWFLSA-N 2 1 348.535 3.195 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000429243274 458296874 /nfs/dbraw/zinc/29/68/74/458296874.db2.gz DDYSRSOXHZNPNW-QGZVFWFLSA-N 2 1 348.535 3.195 20 0 EGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000447543094 458308349 /nfs/dbraw/zinc/30/83/49/458308349.db2.gz QNVWUTWAUZHQTE-GTAWCEEGSA-N 2 1 330.516 3.284 20 0 EGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000447543094 458308356 /nfs/dbraw/zinc/30/83/56/458308356.db2.gz QNVWUTWAUZHQTE-GTAWCEEGSA-N 2 1 330.516 3.284 20 0 EGADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2ccccc21 ZINC000447561279 458311819 /nfs/dbraw/zinc/31/18/19/458311819.db2.gz HHUSSULXCXMOKE-LEWJYISDSA-N 2 1 329.532 3.488 20 0 EGADMP COCCOc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000369704870 458320770 /nfs/dbraw/zinc/32/07/70/458320770.db2.gz SINNSYHFXDCOQC-UHFFFAOYSA-N 2 1 332.488 3.020 20 0 EGADMP CC[C@@H](C[NH2+]C1CCN(C2CC2)CC1)N1CCc2ccccc2C1 ZINC000459389183 458355963 /nfs/dbraw/zinc/35/59/63/458355963.db2.gz MOXICVAFVXOKTP-FQEVSTJZSA-N 2 1 327.516 3.040 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)[C@H]1Sc1ccccc1 ZINC000459415975 458363044 /nfs/dbraw/zinc/36/30/44/458363044.db2.gz BUAUEWXLUOSRJO-UWAKZDDMSA-N 2 1 334.529 3.397 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)[C@H]1Sc1ccccc1 ZINC000459415975 458363049 /nfs/dbraw/zinc/36/30/49/458363049.db2.gz BUAUEWXLUOSRJO-UWAKZDDMSA-N 2 1 334.529 3.397 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2Cc3ccccc3N(C)C[C@H]2C)cc1 ZINC000420313457 458398559 /nfs/dbraw/zinc/39/85/59/458398559.db2.gz JCIWQNRHFGNVKV-VQIMIIECSA-N 2 1 339.483 3.078 20 0 EGADMP COC[C@]1(C[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)CCC[NH2+]1 ZINC000423429146 458431578 /nfs/dbraw/zinc/43/15/78/458431578.db2.gz OWYLBPMNWVNXMW-HBUWYVDXSA-N 2 1 333.501 3.147 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)[C@@H]2CCC[C@H]21 ZINC000423452540 458435469 /nfs/dbraw/zinc/43/54/69/458435469.db2.gz ZAEGOCCDUWRHTD-DZJNRPSUSA-N 2 1 329.488 3.333 20 0 EGADMP Fc1ccccc1C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000423486765 458441569 /nfs/dbraw/zinc/44/15/69/458441569.db2.gz CDYVQBWNBCZUOX-UYAOXDASSA-N 2 1 328.431 3.078 20 0 EGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000423507318 458446455 /nfs/dbraw/zinc/44/64/55/458446455.db2.gz IHVWPUJSZCRWDD-DNVCBOLYSA-N 2 1 342.487 3.167 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCO[C@@H]2C2CC2)C3)cc1 ZINC000377077288 458455861 /nfs/dbraw/zinc/45/58/61/458455861.db2.gz KEBQJGCZIHNARG-HGJUEJDCSA-N 2 1 326.484 3.339 20 0 EGADMP Cc1ccnc([C@@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000423581711 458458935 /nfs/dbraw/zinc/45/89/35/458458935.db2.gz ZHKIPBSMUKMQOX-GOSISDBHSA-N 2 1 338.499 3.034 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)cc1 ZINC000423603986 458462342 /nfs/dbraw/zinc/46/23/42/458462342.db2.gz GPWHHWZXPMKOKN-ACJLOTCBSA-N 2 1 343.858 3.146 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430571992 458464057 /nfs/dbraw/zinc/46/40/57/458464057.db2.gz OVRJNMQZSOXARE-RDJZCZTQSA-N 2 1 325.456 3.228 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000459743106 458465903 /nfs/dbraw/zinc/46/59/03/458465903.db2.gz WENQITLESJNQFF-SFHVURJKSA-N 2 1 339.483 3.482 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000430586062 458466040 /nfs/dbraw/zinc/46/60/40/458466040.db2.gz XXDKBEZKEUTCJZ-RYRKJORJSA-N 2 1 339.483 3.076 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000430586062 458466047 /nfs/dbraw/zinc/46/60/47/458466047.db2.gz XXDKBEZKEUTCJZ-RYRKJORJSA-N 2 1 339.483 3.076 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000430601482 458469415 /nfs/dbraw/zinc/46/94/15/458469415.db2.gz UMNKHSOOCHDIEF-ZQIUZPCESA-N 2 1 339.911 3.211 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000430601482 458469420 /nfs/dbraw/zinc/46/94/20/458469420.db2.gz UMNKHSOOCHDIEF-ZQIUZPCESA-N 2 1 339.911 3.211 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459774559 458475801 /nfs/dbraw/zinc/47/58/01/458475801.db2.gz JFMCOSQRLVEBRT-JBACZVJFSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459774559 458475803 /nfs/dbraw/zinc/47/58/03/458475803.db2.gz JFMCOSQRLVEBRT-JBACZVJFSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459774559 458475807 /nfs/dbraw/zinc/47/58/07/458475807.db2.gz JFMCOSQRLVEBRT-JBACZVJFSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459774559 458475810 /nfs/dbraw/zinc/47/58/10/458475810.db2.gz JFMCOSQRLVEBRT-JBACZVJFSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459774559 458475816 /nfs/dbraw/zinc/47/58/16/458475816.db2.gz JFMCOSQRLVEBRT-JBACZVJFSA-N 2 1 329.532 3.219 20 0 EGADMP CC(C)n1nccc1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000373427131 458490300 /nfs/dbraw/zinc/49/03/00/458490300.db2.gz PDMVJSZDBXOOIK-HDICACEKSA-N 2 1 348.535 3.175 20 0 EGADMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000430949211 458509142 /nfs/dbraw/zinc/50/91/42/458509142.db2.gz MZHCQZIUQHYUSI-QFBILLFUSA-N 2 1 337.467 3.351 20 0 EGADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000468396318 458514954 /nfs/dbraw/zinc/51/49/54/458514954.db2.gz VSPPYIWGSYFGGO-VQIMIIECSA-N 2 1 335.923 3.106 20 0 EGADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000468396318 458514960 /nfs/dbraw/zinc/51/49/60/458514960.db2.gz VSPPYIWGSYFGGO-VQIMIIECSA-N 2 1 335.923 3.106 20 0 EGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3([NH3+])CCCCC3)cc2)C1 ZINC000431013402 458516322 /nfs/dbraw/zinc/51/63/22/458516322.db2.gz FIVJRFXIURLIIU-INIZCTEOSA-N 2 1 345.487 3.007 20 0 EGADMP CC[C@H]1C[N@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@H]1c1ccccc1 ZINC000431068988 458524326 /nfs/dbraw/zinc/52/43/26/458524326.db2.gz DTFPUWBPDHSXNV-GOEBONIOSA-N 2 1 328.460 3.279 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@H]1c1ccccc1 ZINC000431068988 458524332 /nfs/dbraw/zinc/52/43/32/458524332.db2.gz DTFPUWBPDHSXNV-GOEBONIOSA-N 2 1 328.460 3.279 20 0 EGADMP CC[C@H]1C[N@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@@H]1c1ccccc1 ZINC000431068990 458524787 /nfs/dbraw/zinc/52/47/87/458524787.db2.gz DTFPUWBPDHSXNV-HOCLYGCPSA-N 2 1 328.460 3.279 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@@H]1c1ccccc1 ZINC000431068990 458524793 /nfs/dbraw/zinc/52/47/93/458524793.db2.gz DTFPUWBPDHSXNV-HOCLYGCPSA-N 2 1 328.460 3.279 20 0 EGADMP Cc1ccccc1C[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468551147 458526596 /nfs/dbraw/zinc/52/65/96/458526596.db2.gz BZYXQEBSLIIGBI-KNQAVFIVSA-N 2 1 338.495 3.153 20 0 EGADMP Cc1ccccc1C[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468551147 458526602 /nfs/dbraw/zinc/52/66/02/458526602.db2.gz BZYXQEBSLIIGBI-KNQAVFIVSA-N 2 1 338.495 3.153 20 0 EGADMP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@@H+](CC)C[C@@H]1C)Cc1ccccc1 ZINC000468776362 458535943 /nfs/dbraw/zinc/53/59/43/458535943.db2.gz AYRNXYDXONLYIQ-TYPHKJRUSA-N 2 1 331.548 3.259 20 0 EGADMP Cc1[nH+]ccn1CCCCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424143491 458569596 /nfs/dbraw/zinc/56/95/96/458569596.db2.gz JWVOVJIJELUJGV-GOSISDBHSA-N 2 1 334.508 3.166 20 0 EGADMP COC(=O)CC1CC([NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000424271925 458599280 /nfs/dbraw/zinc/59/92/80/458599280.db2.gz STRRTGPUUXZCNK-PBPGXSGUSA-N 2 1 344.499 3.350 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000469979801 458604494 /nfs/dbraw/zinc/60/44/94/458604494.db2.gz ABCKIQVMSZMCKS-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302469 458610582 /nfs/dbraw/zinc/61/05/82/458610582.db2.gz ZOPXTDZHAQEKLM-OAHLLOKOSA-N 2 1 330.472 3.252 20 0 EGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431746267 458616177 /nfs/dbraw/zinc/61/61/77/458616177.db2.gz TXVODQNFSZOLPN-AJYBTWMASA-N 2 1 345.531 3.162 20 0 EGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431746524 458616787 /nfs/dbraw/zinc/61/67/87/458616787.db2.gz UVPXRJRFYUALGN-LMMKCTJWSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431746524 458616793 /nfs/dbraw/zinc/61/67/93/458616793.db2.gz UVPXRJRFYUALGN-LMMKCTJWSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431746524 458616799 /nfs/dbraw/zinc/61/67/99/458616799.db2.gz UVPXRJRFYUALGN-LMMKCTJWSA-N 2 1 335.536 3.020 20 0 EGADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCC[NH+](C2CCCC2)CC1 ZINC000431772183 458621370 /nfs/dbraw/zinc/62/13/70/458621370.db2.gz YLRZRDSWXNWHNR-HXUWFJFHSA-N 2 1 347.547 3.260 20 0 EGADMP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000431772183 458621377 /nfs/dbraw/zinc/62/13/77/458621377.db2.gz YLRZRDSWXNWHNR-HXUWFJFHSA-N 2 1 347.547 3.260 20 0 EGADMP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000431772183 458621384 /nfs/dbraw/zinc/62/13/84/458621384.db2.gz YLRZRDSWXNWHNR-HXUWFJFHSA-N 2 1 347.547 3.260 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1cnn(Cc3ccc(F)cc3)c1)CC[NH2+]CC2 ZINC000424381895 458630105 /nfs/dbraw/zinc/63/01/05/458630105.db2.gz RHZLLDQFXSAASG-INIZCTEOSA-N 2 1 342.462 3.035 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1cnn(Cc3ccc(F)cc3)c1)CC[NH2+]CC2 ZINC000424381899 458630311 /nfs/dbraw/zinc/63/03/11/458630311.db2.gz RHZLLDQFXSAASG-MRXNPFEDSA-N 2 1 342.462 3.035 20 0 EGADMP CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000462680031 458641289 /nfs/dbraw/zinc/64/12/89/458641289.db2.gz IPRCAKHDMUCPMS-GHTZIAJQSA-N 2 1 329.532 3.492 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC(C)(C)C1 ZINC000462728987 458648982 /nfs/dbraw/zinc/64/89/82/458648982.db2.gz YIJAUOYZTMDTQS-YFVAEKQCSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC(C)(C)C1 ZINC000462728987 458648988 /nfs/dbraw/zinc/64/89/88/458648988.db2.gz YIJAUOYZTMDTQS-YFVAEKQCSA-N 2 1 330.516 3.428 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC000439066807 458649361 /nfs/dbraw/zinc/64/93/61/458649361.db2.gz DSZJKZDTPXDOGX-HOCLYGCPSA-N 2 1 333.476 3.036 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC000439066807 458649365 /nfs/dbraw/zinc/64/93/65/458649365.db2.gz DSZJKZDTPXDOGX-HOCLYGCPSA-N 2 1 333.476 3.036 20 0 EGADMP CCc1ccc(NC(=O)[C@@H](C)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000470966598 458672194 /nfs/dbraw/zinc/67/21/94/458672194.db2.gz JZEUZMQECFRFGI-APWZRJJASA-N 2 1 343.515 3.240 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000494436762 458677049 /nfs/dbraw/zinc/67/70/49/458677049.db2.gz MAZZEXWABWEHGU-RHSMWYFYSA-N 2 1 329.419 3.443 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000494436762 458677053 /nfs/dbraw/zinc/67/70/53/458677053.db2.gz MAZZEXWABWEHGU-RHSMWYFYSA-N 2 1 329.419 3.443 20 0 EGADMP CC(C)[NH+](CCN(C)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(C)C ZINC000503927245 458729554 /nfs/dbraw/zinc/72/95/54/458729554.db2.gz HYWFOCRIAXJFNG-HDICACEKSA-N 2 1 340.556 3.010 20 0 EGADMP Cc1noc(C)c1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471839628 458740341 /nfs/dbraw/zinc/74/03/41/458740341.db2.gz YLZOMHYUGWYVMG-AZUAARDMSA-N 2 1 327.472 3.464 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530407527 458763494 /nfs/dbraw/zinc/76/34/94/458763494.db2.gz UVAUZBQVJIWHTC-OAHLLOKOSA-N 2 1 328.460 3.093 20 0 EGADMP Cc1noc(C2CCC([NH2+][C@H]3CC[N@H+](CC4CCCC4)C3)CC2)n1 ZINC000495054309 458790023 /nfs/dbraw/zinc/79/00/23/458790023.db2.gz STEDYFHKIYFAGD-ABHNRTSZSA-N 2 1 332.492 3.258 20 0 EGADMP Cc1noc(C2CCC([NH2+][C@H]3CC[N@@H+](CC4CCCC4)C3)CC2)n1 ZINC000495054309 458790028 /nfs/dbraw/zinc/79/00/28/458790028.db2.gz STEDYFHKIYFAGD-ABHNRTSZSA-N 2 1 332.492 3.258 20 0 EGADMP Cc1ccc2[nH]c(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)cc2c1C ZINC000473149042 458821822 /nfs/dbraw/zinc/82/18/22/458821822.db2.gz ISYQAWOEHBHIHI-IOMROCGXSA-N 2 1 341.499 3.468 20 0 EGADMP Cc1ccc2[nH]c(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)cc2c1C ZINC000473149042 458821829 /nfs/dbraw/zinc/82/18/29/458821829.db2.gz ISYQAWOEHBHIHI-IOMROCGXSA-N 2 1 341.499 3.468 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495337096 458838302 /nfs/dbraw/zinc/83/83/02/458838302.db2.gz OXPFYZKWUWTXDI-LJQANCHMSA-N 2 1 339.524 3.051 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495392947 458848333 /nfs/dbraw/zinc/84/83/33/458848333.db2.gz IQDCEOXEYFEVRD-UHFFFAOYSA-N 2 1 341.540 3.342 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)cc1)C1CC1 ZINC000440913895 458864121 /nfs/dbraw/zinc/86/41/21/458864121.db2.gz MHKAEVJZMBQAGX-YJBOKZPZSA-N 2 1 341.499 3.026 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1)C1CC1 ZINC000440913895 458864129 /nfs/dbraw/zinc/86/41/29/458864129.db2.gz MHKAEVJZMBQAGX-YJBOKZPZSA-N 2 1 341.499 3.026 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1)C1CC1 ZINC000440913895 458864135 /nfs/dbraw/zinc/86/41/35/458864135.db2.gz MHKAEVJZMBQAGX-YJBOKZPZSA-N 2 1 341.499 3.026 20 0 EGADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000441332350 458921248 /nfs/dbraw/zinc/92/12/48/458921248.db2.gz QYCOFXVHQMVKPL-YOEHRIQHSA-N 2 1 337.895 3.473 20 0 EGADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1C ZINC000441344379 458923776 /nfs/dbraw/zinc/92/37/76/458923776.db2.gz FAKNMAVKNDHVLD-VQTJNVASSA-N 2 1 348.531 3.158 20 0 EGADMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1C ZINC000441344379 458923779 /nfs/dbraw/zinc/92/37/79/458923779.db2.gz FAKNMAVKNDHVLD-VQTJNVASSA-N 2 1 348.531 3.158 20 0 EGADMP Cc1ccc(C)c(OC[C@H](O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1C ZINC000441344379 458923784 /nfs/dbraw/zinc/92/37/84/458923784.db2.gz FAKNMAVKNDHVLD-VQTJNVASSA-N 2 1 348.531 3.158 20 0 EGADMP Cc1ccc(C)c(OC[C@H](O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1C ZINC000441344379 458923791 /nfs/dbraw/zinc/92/37/91/458923791.db2.gz FAKNMAVKNDHVLD-VQTJNVASSA-N 2 1 348.531 3.158 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)C[C@@H]1c1ccccc1 ZINC000556053594 458924665 /nfs/dbraw/zinc/92/46/65/458924665.db2.gz VUHWYRXKGGFLNY-RTBURBONSA-N 2 1 338.451 3.383 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)C[C@@H]1c1ccccc1 ZINC000556053594 458924669 /nfs/dbraw/zinc/92/46/69/458924669.db2.gz VUHWYRXKGGFLNY-RTBURBONSA-N 2 1 338.451 3.383 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CCc2ccccc2)C[C@H]1c1ccccc1 ZINC000556173478 458933700 /nfs/dbraw/zinc/93/37/00/458933700.db2.gz VGWKOUVNMBYCDM-BDTNDASRSA-N 2 1 338.495 3.405 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)CCc2ccccc2)C[C@H]1c1ccccc1 ZINC000556173478 458933709 /nfs/dbraw/zinc/93/37/09/458933709.db2.gz VGWKOUVNMBYCDM-BDTNDASRSA-N 2 1 338.495 3.405 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CCc2ccccc2)C[C@H]1c1ccccc1 ZINC000556173482 458934191 /nfs/dbraw/zinc/93/41/91/458934191.db2.gz VGWKOUVNMBYCDM-FKBYEOEOSA-N 2 1 338.495 3.405 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CCc2ccccc2)C[C@H]1c1ccccc1 ZINC000556173482 458934198 /nfs/dbraw/zinc/93/41/98/458934198.db2.gz VGWKOUVNMBYCDM-FKBYEOEOSA-N 2 1 338.495 3.405 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H]([NH2+]CCN4CC=CCC4)[C@@H]3C2)cc1 ZINC000475500451 458947634 /nfs/dbraw/zinc/94/76/34/458947634.db2.gz BQRHIPOZCLKPRO-YPAWHYETSA-N 2 1 339.527 3.139 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@H]2CCCC[C@H]2C)CC1 ZINC000531899717 458996933 /nfs/dbraw/zinc/99/69/33/458996933.db2.gz MYJCWOVYRYMYIF-MJGOQNOKSA-N 2 1 337.552 3.076 20 0 EGADMP Cn1cncc1CCC[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000519831937 459013859 /nfs/dbraw/zinc/01/38/59/459013859.db2.gz KGMNLXWJLQPAHN-HXUWFJFHSA-N 2 1 327.472 3.076 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000519831937 459013865 /nfs/dbraw/zinc/01/38/65/459013865.db2.gz KGMNLXWJLQPAHN-HXUWFJFHSA-N 2 1 327.472 3.076 20 0 EGADMP CN(C)[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc(Cl)cc1 ZINC000566924635 459022242 /nfs/dbraw/zinc/02/22/42/459022242.db2.gz RZSYANTXFFPPLW-ROUUACIJSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000442762813 459032824 /nfs/dbraw/zinc/03/28/24/459032824.db2.gz QYSSTQAWQNVKHW-RVKKMQEKSA-N 2 1 349.494 3.088 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000442762813 459032827 /nfs/dbraw/zinc/03/28/27/459032827.db2.gz QYSSTQAWQNVKHW-RVKKMQEKSA-N 2 1 349.494 3.088 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccc2ccccc2c1 ZINC000442794417 459036604 /nfs/dbraw/zinc/03/66/04/459036604.db2.gz TVGOVCAGRZIKIT-QAETUUGQSA-N 2 1 339.483 3.075 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccc2ccccc2c1 ZINC000442794417 459036610 /nfs/dbraw/zinc/03/66/10/459036610.db2.gz TVGOVCAGRZIKIT-QAETUUGQSA-N 2 1 339.483 3.075 20 0 EGADMP C[N@H+](C[C@@H](O)CNc1ccc2nc(-c3ccccc3)[nH]c2c1)C1CC1 ZINC000567105187 459047877 /nfs/dbraw/zinc/04/78/77/459047877.db2.gz ZRGWMOGNROCUSQ-KRWDZBQOSA-N 2 1 336.439 3.097 20 0 EGADMP C[N@@H+](C[C@@H](O)CNc1ccc2nc(-c3ccccc3)[nH]c2c1)C1CC1 ZINC000567105187 459047882 /nfs/dbraw/zinc/04/78/82/459047882.db2.gz ZRGWMOGNROCUSQ-KRWDZBQOSA-N 2 1 336.439 3.097 20 0 EGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc2c(s1)CCCC2 ZINC000442873677 459048959 /nfs/dbraw/zinc/04/89/59/459048959.db2.gz KYLAZLNCJNSUMY-OAHLLOKOSA-N 2 1 335.561 3.304 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCc3c(Cl)cccc32)CC1(C)C ZINC000442878165 459049503 /nfs/dbraw/zinc/04/95/03/459049503.db2.gz SNWUYDZCLIMAFL-SFHVURJKSA-N 2 1 335.923 3.333 20 0 EGADMP COc1c(C)nc(C2CC2)nc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000567203717 459062905 /nfs/dbraw/zinc/06/29/05/459062905.db2.gz CHNCNZZGHSPELM-UHFFFAOYSA-N 2 1 330.476 3.126 20 0 EGADMP C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000567221382 459068757 /nfs/dbraw/zinc/06/87/57/459068757.db2.gz JMMGISBWFLIAJB-GDBMZVCRSA-N 2 1 342.487 3.064 20 0 EGADMP CCc1cccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000557433692 459072011 /nfs/dbraw/zinc/07/20/11/459072011.db2.gz RNDNFPIOHBRUCV-UHFFFAOYSA-N 2 1 343.515 3.384 20 0 EGADMP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443056841 459079996 /nfs/dbraw/zinc/07/99/96/459079996.db2.gz DJYAFHQXJJACGU-JKSUJKDBSA-N 2 1 343.471 3.013 20 0 EGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000443058452 459080011 /nfs/dbraw/zinc/08/00/11/459080011.db2.gz AFEQYCUGCOKVGL-IRXDYDNUSA-N 2 1 339.483 3.078 20 0 EGADMP CC(C)[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C1CC1 ZINC000532449811 459090944 /nfs/dbraw/zinc/09/09/44/459090944.db2.gz KXFIBBWDEUOROX-SFTDATJTSA-N 2 1 329.532 3.389 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000496172504 459097073 /nfs/dbraw/zinc/09/70/73/459097073.db2.gz SBRDPTRUIIDMON-RDHHWEPZSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000496172504 459097076 /nfs/dbraw/zinc/09/70/76/459097076.db2.gz SBRDPTRUIIDMON-RDHHWEPZSA-N 2 1 339.524 3.142 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000577859707 459108427 /nfs/dbraw/zinc/10/84/27/459108427.db2.gz HQZJORQBELQAFI-CQSZACIVSA-N 2 1 339.430 3.003 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000521033195 459114412 /nfs/dbraw/zinc/11/44/12/459114412.db2.gz YXLNKADGBITWGQ-HXUWFJFHSA-N 2 1 343.515 3.236 20 0 EGADMP CC(C)[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(F)ccc1F ZINC000479054002 459120075 /nfs/dbraw/zinc/12/00/75/459120075.db2.gz CLNOGKZVLJKMEG-LJQANCHMSA-N 2 1 339.474 3.279 20 0 EGADMP CC(C)C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000521380190 459144995 /nfs/dbraw/zinc/14/49/95/459144995.db2.gz OCOAXPORZDICHE-MJGOQNOKSA-N 2 1 333.520 3.208 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@@H]2C[C@H](OCC)[C@@H]2Oc2ccccc2)CC1 ZINC000480332609 459194554 /nfs/dbraw/zinc/19/45/54/459194554.db2.gz LBRDYSDEBNYCIF-HSALFYBXSA-N 2 1 332.488 3.075 20 0 EGADMP CC(C)[C@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)N1CCCC1 ZINC000480535961 459203889 /nfs/dbraw/zinc/20/38/89/459203889.db2.gz AWVIRWTZFWWNDP-NQIIRXRSSA-N 2 1 347.547 3.398 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000533272250 459211646 /nfs/dbraw/zinc/21/16/46/459211646.db2.gz WSRAASFDGZOCDV-FQEVSTJZSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)n1ccnc1 ZINC000578538036 459219446 /nfs/dbraw/zinc/21/94/46/459219446.db2.gz NMHPFWCPCRNRCH-AOIWGVFYSA-N 2 1 340.471 3.004 20 0 EGADMP C[C@@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)n1ccnc1 ZINC000578538039 459220176 /nfs/dbraw/zinc/22/01/76/459220176.db2.gz NMHPFWCPCRNRCH-ZIFCJYIRSA-N 2 1 340.471 3.004 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccc3nc[nH]c3c2)cc1 ZINC000590798742 459224127 /nfs/dbraw/zinc/22/41/27/459224127.db2.gz XBZDVJBGTVQYCL-UHFFFAOYSA-N 2 1 338.455 3.183 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000481031222 459229900 /nfs/dbraw/zinc/22/99/00/459229900.db2.gz CDWWSPJLXJZJOO-CABCVRRESA-N 2 1 329.488 3.299 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000481050087 459231037 /nfs/dbraw/zinc/23/10/37/459231037.db2.gz MVNDBAPBVONSFK-MAUKXSAKSA-N 2 1 336.907 3.318 20 0 EGADMP CC1(C)CC[C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c2ccccc21 ZINC000578640466 459234618 /nfs/dbraw/zinc/23/46/18/459234618.db2.gz XBUCRQXIVORTBL-KRWDZBQOSA-N 2 1 339.487 3.174 20 0 EGADMP CC[NH+](Cc1c(C[N@H+](CC)C2CC2)cccc1C(=O)OC)C1CC1 ZINC000595294817 459268825 /nfs/dbraw/zinc/26/88/25/459268825.db2.gz GPPLMDNMTCGDJK-UHFFFAOYSA-N 2 1 330.472 3.442 20 0 EGADMP CC[NH+](Cc1cccc(C(=O)OC)c1C[N@H+](CC)C1CC1)C1CC1 ZINC000595294817 459268833 /nfs/dbraw/zinc/26/88/33/459268833.db2.gz GPPLMDNMTCGDJK-UHFFFAOYSA-N 2 1 330.472 3.442 20 0 EGADMP CC[NH+](Cc1cccc(C(=O)OC)c1C[N@@H+](CC)C1CC1)C1CC1 ZINC000595294817 459268837 /nfs/dbraw/zinc/26/88/37/459268837.db2.gz GPPLMDNMTCGDJK-UHFFFAOYSA-N 2 1 330.472 3.442 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000559863522 459281664 /nfs/dbraw/zinc/28/16/64/459281664.db2.gz HBSUJLRKHOJIEN-OAHLLOKOSA-N 2 1 332.879 3.346 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000559863522 459281671 /nfs/dbraw/zinc/28/16/71/459281671.db2.gz HBSUJLRKHOJIEN-OAHLLOKOSA-N 2 1 332.879 3.346 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC=C(C)CC3)cc2)CC1 ZINC000559893348 459283828 /nfs/dbraw/zinc/28/38/28/459283828.db2.gz ITTQLAIPJRWIBE-OAQYLSRUSA-N 2 1 327.516 3.413 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000482153331 459293084 /nfs/dbraw/zinc/29/30/84/459293084.db2.gz AUWMQWIQFYHGMN-HIFRSBDPSA-N 2 1 346.441 3.429 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@H](C)c1ccccc1 ZINC000482166320 459295044 /nfs/dbraw/zinc/29/50/44/459295044.db2.gz TYBLCDBDWAVIGV-HOJAQTOUSA-N 2 1 345.531 3.354 20 0 EGADMP CC(C)c1[nH+]c(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c2ccccn21 ZINC000568634238 459320837 /nfs/dbraw/zinc/32/08/37/459320837.db2.gz HCMCGYSUCYZBFK-SJLPKXTDSA-N 2 1 326.488 3.374 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)[NH+]1CC(C)C1 ZINC000568650393 459323571 /nfs/dbraw/zinc/32/35/71/459323571.db2.gz OXEYIQSPQYCWKX-RDJZCZTQSA-N 2 1 329.488 3.197 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[NH+]1CC(C)C1 ZINC000568650393 459323575 /nfs/dbraw/zinc/32/35/75/459323575.db2.gz OXEYIQSPQYCWKX-RDJZCZTQSA-N 2 1 329.488 3.197 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000496790171 459324790 /nfs/dbraw/zinc/32/47/90/459324790.db2.gz JHERAZXQRMFRBK-IXDOHACOSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000496790171 459324796 /nfs/dbraw/zinc/32/47/96/459324796.db2.gz JHERAZXQRMFRBK-IXDOHACOSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000496790171 459324799 /nfs/dbraw/zinc/32/47/99/459324799.db2.gz JHERAZXQRMFRBK-IXDOHACOSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000496790171 459324804 /nfs/dbraw/zinc/32/48/04/459324804.db2.gz JHERAZXQRMFRBK-IXDOHACOSA-N 2 1 339.524 3.048 20 0 EGADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000484124505 459406929 /nfs/dbraw/zinc/40/69/29/459406929.db2.gz ZHRWYJMQSJLKJA-GOSISDBHSA-N 2 1 347.547 3.118 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC000569208543 459413573 /nfs/dbraw/zinc/41/35/73/459413573.db2.gz BPASLOXRWCNGJT-UHFFFAOYSA-N 2 1 344.543 3.472 20 0 EGADMP Cc1ccccc1-n1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)nn1 ZINC000582991305 459462172 /nfs/dbraw/zinc/46/21/72/459462172.db2.gz IZATWXZPMRWPAH-UHFFFAOYSA-N 2 1 341.503 3.128 20 0 EGADMP Cc1ccccc1-n1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)nn1 ZINC000582991305 459462175 /nfs/dbraw/zinc/46/21/75/459462175.db2.gz IZATWXZPMRWPAH-UHFFFAOYSA-N 2 1 341.503 3.128 20 0 EGADMP CC1(C)CC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000541544140 459464765 /nfs/dbraw/zinc/46/47/65/459464765.db2.gz QOLGLZSRUNPHTL-RBUKOAKNSA-N 2 1 343.515 3.052 20 0 EGADMP Fc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000569576899 459475555 /nfs/dbraw/zinc/47/55/55/459475555.db2.gz DZQKZENHTSYUOX-CQSZACIVSA-N 2 1 341.268 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)C1 ZINC000497247271 459502017 /nfs/dbraw/zinc/50/20/17/459502017.db2.gz ZQDQACPWKDIQTE-SJORKVTESA-N 2 1 341.540 3.390 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCCc4ccncc4)C[C@@H]3C2)cc1 ZINC000583230839 459505074 /nfs/dbraw/zinc/50/50/74/459505074.db2.gz CPOGUXHKRSYHBI-FGZHOGPDSA-N 2 1 335.495 3.468 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCCc4ccncc4)C[C@@H]3C2)cc1 ZINC000583230839 459505081 /nfs/dbraw/zinc/50/50/81/459505081.db2.gz CPOGUXHKRSYHBI-FGZHOGPDSA-N 2 1 335.495 3.468 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCCc4ccncc4)C[C@@H]3C2)cc1 ZINC000583230839 459505089 /nfs/dbraw/zinc/50/50/89/459505089.db2.gz CPOGUXHKRSYHBI-FGZHOGPDSA-N 2 1 335.495 3.468 20 0 EGADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000596095270 459518568 /nfs/dbraw/zinc/51/85/68/459518568.db2.gz ONTKXULLAGPQEN-HIFRSBDPSA-N 2 1 336.501 3.307 20 0 EGADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000596095270 459518572 /nfs/dbraw/zinc/51/85/72/459518572.db2.gz ONTKXULLAGPQEN-HIFRSBDPSA-N 2 1 336.501 3.307 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1F ZINC000542530093 459567196 /nfs/dbraw/zinc/56/71/96/459567196.db2.gz DKGHXOYOAZWXMY-HZPDHXFCSA-N 2 1 347.478 3.315 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1F ZINC000542530093 459567200 /nfs/dbraw/zinc/56/72/00/459567200.db2.gz DKGHXOYOAZWXMY-HZPDHXFCSA-N 2 1 347.478 3.315 20 0 EGADMP C[C@H](O)C[C@H]1CCCC[N@H+]1CCCC[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000562502979 459573594 /nfs/dbraw/zinc/57/35/94/459573594.db2.gz RUDMEVARRHQRNU-LWYYNNOASA-N 2 1 340.552 3.017 20 0 EGADMP C[C@H](O)C[C@H]1CCCC[NH+]1CCCC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000562502979 459573597 /nfs/dbraw/zinc/57/35/97/459573597.db2.gz RUDMEVARRHQRNU-LWYYNNOASA-N 2 1 340.552 3.017 20 0 EGADMP C[C@H](O)C[C@H]1CCCC[NH+]1CCCC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000562502979 459573602 /nfs/dbraw/zinc/57/36/02/459573602.db2.gz RUDMEVARRHQRNU-LWYYNNOASA-N 2 1 340.552 3.017 20 0 EGADMP C[C@@H]1COCC[N@@H+]1CCS[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000592354501 459579048 /nfs/dbraw/zinc/57/90/48/459579048.db2.gz HGZMBLHWQUMBJT-MJGOQNOKSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@@H]1COCC[N@H+]1CCS[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000592354501 459579052 /nfs/dbraw/zinc/57/90/52/459579052.db2.gz HGZMBLHWQUMBJT-MJGOQNOKSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@@H]1COCC[NH+]1CCS[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000592354501 459579056 /nfs/dbraw/zinc/57/90/56/459579056.db2.gz HGZMBLHWQUMBJT-MJGOQNOKSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@@H]1COCC[NH+]1CCS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000592354501 459579060 /nfs/dbraw/zinc/57/90/60/459579060.db2.gz HGZMBLHWQUMBJT-MJGOQNOKSA-N 2 1 334.529 3.105 20 0 EGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000572929191 459596001 /nfs/dbraw/zinc/59/60/01/459596001.db2.gz SAYCZRKCMGXJFA-APAFKAMOSA-N 2 1 332.536 3.402 20 0 EGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000572929191 459596008 /nfs/dbraw/zinc/59/60/08/459596008.db2.gz SAYCZRKCMGXJFA-APAFKAMOSA-N 2 1 332.536 3.402 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000592450478 459602264 /nfs/dbraw/zinc/60/22/64/459602264.db2.gz CPWHGMOKECBFNU-ROUUACIJSA-N 2 1 345.531 3.123 20 0 EGADMP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC(CC[NH3+])CC1 ZINC000572967698 459603264 /nfs/dbraw/zinc/60/32/64/459603264.db2.gz RGOJPGAJCIASFQ-ZDUSSCGKSA-N 2 1 348.878 3.436 20 0 EGADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000573452823 459681253 /nfs/dbraw/zinc/68/12/53/459681253.db2.gz HIZOSOUZKPJVRK-YPAWHYETSA-N 2 1 338.495 3.324 20 0 EGADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000573452823 459681257 /nfs/dbraw/zinc/68/12/57/459681257.db2.gz HIZOSOUZKPJVRK-YPAWHYETSA-N 2 1 338.495 3.324 20 0 EGADMP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1CCCCC1 ZINC000543740185 459693227 /nfs/dbraw/zinc/69/32/27/459693227.db2.gz BKKYRPLODQDWQG-YSFYHYPLSA-N 2 1 342.527 3.428 20 0 EGADMP CC(C)COc1cccc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000573581691 459701147 /nfs/dbraw/zinc/70/11/47/459701147.db2.gz NVYXXPUSCBWDSD-HXUWFJFHSA-N 2 1 346.515 3.266 20 0 EGADMP Fc1cccc(Br)c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000584291442 459703359 /nfs/dbraw/zinc/70/33/59/459703359.db2.gz QFGDONQDMBRISP-ZDUSSCGKSA-N 2 1 341.268 3.410 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](SC)C(C)(C)C)[C@H](C)C1 ZINC000544384717 459753900 /nfs/dbraw/zinc/75/39/00/459753900.db2.gz DDQJJYUUQQUXMN-IKGGRYGDSA-N 2 1 330.582 3.491 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Cl)c2)C1 ZINC000584497371 459754499 /nfs/dbraw/zinc/75/44/99/459754499.db2.gz VAXORURKOSAFHV-GJZGRUSLSA-N 2 1 337.895 3.377 20 0 EGADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000574192525 459790054 /nfs/dbraw/zinc/79/00/54/459790054.db2.gz ZZDMONGVVFFOIO-UXHICEINSA-N 2 1 348.531 3.001 20 0 EGADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000574280913 459801665 /nfs/dbraw/zinc/80/16/65/459801665.db2.gz NMIBFPNIQZNCQP-NJYVYQBISA-N 2 1 328.500 3.136 20 0 EGADMP O[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000574280913 459801668 /nfs/dbraw/zinc/80/16/68/459801668.db2.gz NMIBFPNIQZNCQP-NJYVYQBISA-N 2 1 328.500 3.136 20 0 EGADMP O[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000574280913 459801676 /nfs/dbraw/zinc/80/16/76/459801676.db2.gz NMIBFPNIQZNCQP-NJYVYQBISA-N 2 1 328.500 3.136 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000566163605 459817299 /nfs/dbraw/zinc/81/72/99/459817299.db2.gz BAVZFPBKEHZXEF-SCTDSRPQSA-N 2 1 345.531 3.339 20 0 EGADMP CC(C)c1ccc(C[C@H]2CC[N@@H+](C[C@@H](O)CN(C)C3CC3)C2)cc1 ZINC000574725718 459860657 /nfs/dbraw/zinc/86/06/57/459860657.db2.gz PJSIQWKVYZMTLY-NQIIRXRSSA-N 2 1 330.516 3.130 20 0 EGADMP CC(C)c1ccc(C[C@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000574725718 459860663 /nfs/dbraw/zinc/86/06/63/459860663.db2.gz PJSIQWKVYZMTLY-NQIIRXRSSA-N 2 1 330.516 3.130 20 0 EGADMP CC(C)c1ccc(C[C@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000574725718 459860674 /nfs/dbraw/zinc/86/06/74/459860674.db2.gz PJSIQWKVYZMTLY-NQIIRXRSSA-N 2 1 330.516 3.130 20 0 EGADMP CC(C)c1ccc(C[C@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000574725718 459860679 /nfs/dbraw/zinc/86/06/79/459860679.db2.gz PJSIQWKVYZMTLY-NQIIRXRSSA-N 2 1 330.516 3.130 20 0 EGADMP CC(C)c1ccc(C[C@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000574725718 459860685 /nfs/dbraw/zinc/86/06/85/459860685.db2.gz PJSIQWKVYZMTLY-NQIIRXRSSA-N 2 1 330.516 3.130 20 0 EGADMP COC(=O)c1csc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000602595843 460016283 /nfs/dbraw/zinc/01/62/83/460016283.db2.gz DOQLVLAXGXPXFD-ZIAGYGMSSA-N 2 1 336.501 3.277 20 0 EGADMP COC(=O)c1csc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000602595843 460016287 /nfs/dbraw/zinc/01/62/87/460016287.db2.gz DOQLVLAXGXPXFD-ZIAGYGMSSA-N 2 1 336.501 3.277 20 0 EGADMP COC(=O)C1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000589173107 460044971 /nfs/dbraw/zinc/04/49/71/460044971.db2.gz DEDOXROTTLXSSW-PKOBYXMFSA-N 2 1 344.499 3.220 20 0 EGADMP COC(=O)C1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000589173103 460044993 /nfs/dbraw/zinc/04/49/93/460044993.db2.gz DEDOXROTTLXSSW-HKUYNNGSSA-N 2 1 344.499 3.220 20 0 EGADMP [NH3+][C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000621780236 460061938 /nfs/dbraw/zinc/06/19/38/460061938.db2.gz OZRZDNHAVJOGBS-ZBEGNZNMSA-N 2 1 342.270 3.135 20 0 EGADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000621780236 460061945 /nfs/dbraw/zinc/06/19/45/460061945.db2.gz OZRZDNHAVJOGBS-ZBEGNZNMSA-N 2 1 342.270 3.135 20 0 EGADMP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000599308371 460224821 /nfs/dbraw/zinc/22/48/21/460224821.db2.gz HNVCGDSKYIIOOI-FQEVSTJZSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@H]2COc3ccccc3O2)C1 ZINC000603740926 460338365 /nfs/dbraw/zinc/33/83/65/460338365.db2.gz XUXUEDMPSCTFRB-QRVBRYPASA-N 2 1 344.499 3.413 20 0 EGADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000631595728 460463988 /nfs/dbraw/zinc/46/39/88/460463988.db2.gz DSDUDSNEXPEWKR-YRNRMSPPSA-N 2 1 332.488 3.162 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000631624899 460476714 /nfs/dbraw/zinc/47/67/14/460476714.db2.gz SKFMVNCUALOYIL-FYQPLNBISA-N 2 1 326.484 3.056 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000623361007 460509592 /nfs/dbraw/zinc/50/95/92/460509592.db2.gz JLQJSDSONBVNCC-CABCVRRESA-N 2 1 328.378 3.430 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000623361007 460509598 /nfs/dbraw/zinc/50/95/98/460509598.db2.gz JLQJSDSONBVNCC-CABCVRRESA-N 2 1 328.378 3.430 20 0 EGADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535263 460798858 /nfs/dbraw/zinc/79/88/58/460798858.db2.gz BZKDMTFQDGICCN-SUNKGSAMSA-N 2 1 329.257 3.249 20 0 EGADMP Fc1ccccc1-c1nc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)co1 ZINC000629533182 460798977 /nfs/dbraw/zinc/79/89/77/460798977.db2.gz MFEQSRNQOURIIF-GJZGRUSLSA-N 2 1 329.419 3.302 20 0 EGADMP Brc1ccc(S[C@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000629546343 460802480 /nfs/dbraw/zinc/80/24/80/460802480.db2.gz CJUNNNLHAYHTSC-DOMZBBRYSA-N 2 1 341.318 3.225 20 0 EGADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1cn([C@@H]3CC[NH2+]C3)nn1)CCC2 ZINC000629553148 460805051 /nfs/dbraw/zinc/80/50/51/460805051.db2.gz UWYMJGLBGGDHDV-QUCCMNQESA-N 2 1 339.487 3.103 20 0 EGADMP OC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC(c2ccccc2)CC1 ZINC000629557825 460807331 /nfs/dbraw/zinc/80/73/31/460807331.db2.gz YSHIWCBLEDNEEC-JWFWCLOMSA-N 2 1 328.500 3.292 20 0 EGADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629563860 460810197 /nfs/dbraw/zinc/81/01/97/460810197.db2.gz RTGHYTXOLUJTQP-HOCLYGCPSA-N 2 1 330.394 3.433 20 0 EGADMP CC(C)Oc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629563860 460810204 /nfs/dbraw/zinc/81/02/04/460810204.db2.gz RTGHYTXOLUJTQP-HOCLYGCPSA-N 2 1 330.394 3.433 20 0 EGADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000629577537 460812176 /nfs/dbraw/zinc/81/21/76/460812176.db2.gz CIENFTNWCMTPOU-UHFFFAOYSA-N 2 1 336.382 3.164 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC[NH+]2C2CCCC2)c1 ZINC000635546037 460826760 /nfs/dbraw/zinc/82/67/60/460826760.db2.gz NFJSEOPYPYMMEJ-FQEVSTJZSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000635546037 460826762 /nfs/dbraw/zinc/82/67/62/460826762.db2.gz NFJSEOPYPYMMEJ-FQEVSTJZSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000635546037 460826765 /nfs/dbraw/zinc/82/67/65/460826765.db2.gz NFJSEOPYPYMMEJ-FQEVSTJZSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000635566748 460833977 /nfs/dbraw/zinc/83/39/77/460833977.db2.gz YLSRZTBMOCNNTH-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000635566748 460833982 /nfs/dbraw/zinc/83/39/82/460833982.db2.gz YLSRZTBMOCNNTH-ROUUACIJSA-N 2 1 346.519 3.120 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+](C)CCc2ccccc2)c(C[NH+](C)C)c1 ZINC000635568377 460836376 /nfs/dbraw/zinc/83/63/76/460836376.db2.gz ZENHQZJBJHOXGD-UHFFFAOYSA-N 2 1 339.483 3.170 20 0 EGADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624119397 460868158 /nfs/dbraw/zinc/86/81/58/460868158.db2.gz ANRSXOUCIQZGGH-LSDHHAIUSA-N 2 1 337.895 3.379 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000624121433 460869628 /nfs/dbraw/zinc/86/96/28/460869628.db2.gz WIPHSOGQTXSYQE-HNNXBMFYSA-N 2 1 337.458 3.255 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCCC[NH+](C)C1 ZINC000624121122 460870046 /nfs/dbraw/zinc/87/00/46/460870046.db2.gz OORMREBVQNJWIP-GIVPXCGWSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624121122 460870054 /nfs/dbraw/zinc/87/00/54/460870054.db2.gz OORMREBVQNJWIP-GIVPXCGWSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121122 460870061 /nfs/dbraw/zinc/87/00/61/460870061.db2.gz OORMREBVQNJWIP-GIVPXCGWSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCC[NH+](C)C1 ZINC000624121122 460870066 /nfs/dbraw/zinc/87/00/66/460870066.db2.gz OORMREBVQNJWIP-GIVPXCGWSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCC[NH+](C)C1 ZINC000624121122 460870074 /nfs/dbraw/zinc/87/00/74/460870074.db2.gz OORMREBVQNJWIP-GIVPXCGWSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121122 460870081 /nfs/dbraw/zinc/87/00/81/460870081.db2.gz OORMREBVQNJWIP-GIVPXCGWSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121122 460870089 /nfs/dbraw/zinc/87/00/89/460870089.db2.gz OORMREBVQNJWIP-GIVPXCGWSA-N 3 1 329.532 3.219 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000635723522 460897770 /nfs/dbraw/zinc/89/77/70/460897770.db2.gz HARIFWYCRBCBOW-UHFFFAOYSA-N 2 1 346.519 3.121 20 0 EGADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000635849975 460948918 /nfs/dbraw/zinc/94/89/18/460948918.db2.gz SPPMSKNURMUEKT-IBGZPJMESA-N 2 1 329.488 3.484 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000628158469 461024178 /nfs/dbraw/zinc/02/41/78/461024178.db2.gz PFQQKPJOABVAJB-HDICACEKSA-N 2 1 340.515 3.158 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000628158469 461024185 /nfs/dbraw/zinc/02/41/85/461024185.db2.gz PFQQKPJOABVAJB-HDICACEKSA-N 2 1 340.515 3.158 20 0 EGADMP C[C@@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C1CCCCC1 ZINC000624638050 461077384 /nfs/dbraw/zinc/07/73/84/461077384.db2.gz GIJVCXUQSNDFNB-INIZCTEOSA-N 2 1 344.503 3.378 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)C1 ZINC000652348772 461142531 /nfs/dbraw/zinc/14/25/31/461142531.db2.gz QVMSIGAAGRQFRG-KZNAEPCWSA-N 2 1 341.455 3.060 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+]([C@@H]3CCCc4ccc(F)cc43)C2)C1 ZINC000652350136 461145400 /nfs/dbraw/zinc/14/54/00/461145400.db2.gz HSNFQDSMPJNIJZ-ZSXHRAQDSA-N 2 1 332.463 3.421 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(O[C@@H]4CCOC4)cc3)C2)CC1 ZINC000668169671 461153641 /nfs/dbraw/zinc/15/36/41/461153641.db2.gz XDFJJZUZDZNLOM-PZJWPPBQSA-N 2 1 344.499 3.018 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(O[C@H]4CCOC4)cc3)C2)CC1 ZINC000668169669 461154398 /nfs/dbraw/zinc/15/43/98/461154398.db2.gz XDFJJZUZDZNLOM-CTNGQTDRSA-N 2 1 344.499 3.018 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])on2)cc1 ZINC000662287107 461167210 /nfs/dbraw/zinc/16/72/10/461167210.db2.gz WBPYYPSNCQCIMV-IFXJQAMLSA-N 2 1 329.444 3.300 20 0 EGADMP Cc1cncc(CC[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)n1 ZINC000649549159 461169342 /nfs/dbraw/zinc/16/93/42/461169342.db2.gz WCVPALCYWFDHJL-NQIIRXRSSA-N 2 1 338.499 3.312 20 0 EGADMP Cc1cncc(CCN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000649549159 461169348 /nfs/dbraw/zinc/16/93/48/461169348.db2.gz WCVPALCYWFDHJL-NQIIRXRSSA-N 2 1 338.499 3.312 20 0 EGADMP Cc1cncc(CCN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000649549159 461169355 /nfs/dbraw/zinc/16/93/55/461169355.db2.gz WCVPALCYWFDHJL-NQIIRXRSSA-N 2 1 338.499 3.312 20 0 EGADMP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc1 ZINC000662293568 461169757 /nfs/dbraw/zinc/16/97/57/461169757.db2.gz LYIVGWQYSQXGBY-CQSZACIVSA-N 2 1 327.394 3.312 20 0 EGADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1C ZINC000662294558 461171605 /nfs/dbraw/zinc/17/16/05/461171605.db2.gz QUJGXGDBHBUAJS-IEBWSBKVSA-N 2 1 343.515 3.342 20 0 EGADMP CCn1c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)nc2c1cccc2F ZINC000662293759 461172400 /nfs/dbraw/zinc/17/24/00/461172400.db2.gz SXIIHBQNQFYPGT-MRXNPFEDSA-N 2 1 344.478 3.407 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c(C)c1 ZINC000662313494 461185829 /nfs/dbraw/zinc/18/58/29/461185829.db2.gz SEVSWJIECCDYNW-CRAIPNDOSA-N 2 1 331.504 3.390 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CC2)[C@@H]1CCC[NH3+] ZINC000662313235 461186715 /nfs/dbraw/zinc/18/67/15/461186715.db2.gz HLABICHFMCLNOM-BSIFCXSSSA-N 2 1 343.515 3.093 20 0 EGADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(C[NH+]2CCCC2)c1 ZINC000655352894 461202327 /nfs/dbraw/zinc/20/23/27/461202327.db2.gz QGSKMRHIWYNQHI-VQTJNVASSA-N 2 1 341.499 3.029 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(CO)ccn2)C1 ZINC000641296172 461205903 /nfs/dbraw/zinc/20/59/03/461205903.db2.gz WOGJGLZRQPLEAR-INIZCTEOSA-N 2 1 325.456 3.418 20 0 EGADMP COc1cc(C)c([C@@H](C)N2CCC([N@@H+](C)C[C@@H](C)O)CC2)cc1C ZINC000638048846 461214015 /nfs/dbraw/zinc/21/40/15/461214015.db2.gz UZJVAIBBUAEVDC-IAGOWNOFSA-N 2 1 334.504 3.150 20 0 EGADMP COc1cc(C)c([C@@H](C)[NH+]2CCC([N@H+](C)C[C@@H](C)O)CC2)cc1C ZINC000638048846 461214025 /nfs/dbraw/zinc/21/40/25/461214025.db2.gz UZJVAIBBUAEVDC-IAGOWNOFSA-N 2 1 334.504 3.150 20 0 EGADMP COc1cc(C)c([C@@H](C)[NH+]2CCC([N@@H+](C)C[C@@H](C)O)CC2)cc1C ZINC000638048846 461214033 /nfs/dbraw/zinc/21/40/33/461214033.db2.gz UZJVAIBBUAEVDC-IAGOWNOFSA-N 2 1 334.504 3.150 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](NC)c1cccc(Cl)c1Cl ZINC000662439870 461242206 /nfs/dbraw/zinc/24/22/06/461242206.db2.gz QNSLMKOXCSIYAJ-IAQYHMDHSA-N 2 1 346.302 3.100 20 0 EGADMP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662439870 461242214 /nfs/dbraw/zinc/24/22/14/461242214.db2.gz QNSLMKOXCSIYAJ-IAQYHMDHSA-N 2 1 346.302 3.100 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662439870 461242222 /nfs/dbraw/zinc/24/22/22/461242222.db2.gz QNSLMKOXCSIYAJ-IAQYHMDHSA-N 2 1 346.302 3.100 20 0 EGADMP CC(C)O[C@@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649702670 461290329 /nfs/dbraw/zinc/29/03/29/461290329.db2.gz KRDANZDJQNBAJA-GGJLBNBESA-N 2 1 338.536 3.321 20 0 EGADMP CC(C)O[C@@H]1CCC[N@@H+](C/C=C\C[NH+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649702670 461290337 /nfs/dbraw/zinc/29/03/37/461290337.db2.gz KRDANZDJQNBAJA-GGJLBNBESA-N 2 1 338.536 3.321 20 0 EGADMP CC(C)O[C@@H]1CCC[N@H+](C/C=C\C[NH+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649702670 461290343 /nfs/dbraw/zinc/29/03/43/461290343.db2.gz KRDANZDJQNBAJA-GGJLBNBESA-N 2 1 338.536 3.321 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(CC)nc2-c2ccccc2)C1 ZINC000641709338 461332195 /nfs/dbraw/zinc/33/21/95/461332195.db2.gz BXZGPZWKHGOHEP-QGZVFWFLSA-N 2 1 326.488 3.392 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2[NH2+]CCC2(C)C)cc1 ZINC000662675411 461343921 /nfs/dbraw/zinc/34/39/21/461343921.db2.gz MWYYZIVWMZERCM-YJBOKZPZSA-N 2 1 329.488 3.388 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C[C@@H]1C ZINC000662743202 461364232 /nfs/dbraw/zinc/36/42/32/461364232.db2.gz LAKIGYAPAQFLAO-SNRMKQJTSA-N 2 1 343.515 3.010 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000668684137 461379465 /nfs/dbraw/zinc/37/94/65/461379465.db2.gz AXUCCYLWRCVBOR-UHFFFAOYSA-N 2 1 344.499 3.018 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000641805875 461379939 /nfs/dbraw/zinc/37/99/39/461379939.db2.gz PDCJVOIXICVUMD-HJIKLVIJSA-N 2 1 330.259 3.036 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3nsc4ccccc43)C2)C1 ZINC000641818414 461390103 /nfs/dbraw/zinc/39/01/03/461390103.db2.gz DQJFJUWCGWHNEK-VBQJREDUSA-N 2 1 331.485 3.015 20 0 EGADMP CC(C)(C)c1ccccc1OCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655726560 461394657 /nfs/dbraw/zinc/39/46/57/461394657.db2.gz BCOSGQLAVCGZCQ-GOSISDBHSA-N 2 1 346.515 3.206 20 0 EGADMP c1ccc2c(c1)CC[C@@H](C[NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000655730644 461399363 /nfs/dbraw/zinc/39/93/63/461399363.db2.gz QBSSOMKPSANLBJ-DYESRHJHSA-N 2 1 328.500 3.025 20 0 EGADMP CCn1c(C)cc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655744299 461411721 /nfs/dbraw/zinc/41/17/21/461411721.db2.gz OZANFCDGBWUROF-QUCCMNQESA-N 2 1 345.531 3.427 20 0 EGADMP CCCNc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655758934 461424383 /nfs/dbraw/zinc/42/43/83/461424383.db2.gz GHGIJWRIOCAACA-HXUWFJFHSA-N 2 1 331.504 3.242 20 0 EGADMP c1ccc2c(c1)CC[C@@H]2CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655772655 461437708 /nfs/dbraw/zinc/43/77/08/461437708.db2.gz ZDIRCEPWKGXQCJ-UYAOXDASSA-N 2 1 328.500 3.340 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CC[NH+]2CCCCC2)cc1)C(C)C ZINC000652989138 461439693 /nfs/dbraw/zinc/43/96/93/461439693.db2.gz YBXZPUDPWHOHDH-UHFFFAOYSA-N 2 1 345.531 3.475 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000659834511 461443321 /nfs/dbraw/zinc/44/33/21/461443321.db2.gz SYAFSGPZJQCNQI-RKXNLGFASA-N 2 1 341.543 3.295 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000659834511 461443326 /nfs/dbraw/zinc/44/33/26/461443326.db2.gz SYAFSGPZJQCNQI-RKXNLGFASA-N 2 1 341.543 3.295 20 0 EGADMP Cn1cc(CCC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638482128 461450246 /nfs/dbraw/zinc/45/02/46/461450246.db2.gz ZKHLEUHQTYVWCD-FPOVZHCZSA-N 2 1 338.499 3.310 20 0 EGADMP Cn1cc(CCC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638482128 461450253 /nfs/dbraw/zinc/45/02/53/461450253.db2.gz ZKHLEUHQTYVWCD-FPOVZHCZSA-N 2 1 338.499 3.310 20 0 EGADMP Cc1cc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)sn1 ZINC000638524572 461466359 /nfs/dbraw/zinc/46/63/59/461466359.db2.gz RFBCVYLBVPKBEO-UHFFFAOYSA-N 2 1 334.489 3.058 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccsc3C)CC2)CC1 ZINC000634214890 461479222 /nfs/dbraw/zinc/47/92/22/461479222.db2.gz AGYKKBWKUPBFRO-UHFFFAOYSA-N 2 1 335.517 3.191 20 0 EGADMP CC[C@H](C[NH2+]C1CCN(c2ccccc2OC)CC1)[NH+]1CCCC1 ZINC000631039824 461492323 /nfs/dbraw/zinc/49/23/23/461492323.db2.gz MLVPKLNDXARHSK-GOSISDBHSA-N 2 1 331.504 3.128 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(=O)[nH]c2)cc1 ZINC000631041728 461493417 /nfs/dbraw/zinc/49/34/17/461493417.db2.gz MHFHDEMOXBTFEG-INIZCTEOSA-N 2 1 325.456 3.451 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(=O)[nH]c3)cc2)C1 ZINC000631042940 461496819 /nfs/dbraw/zinc/49/68/19/461496819.db2.gz YLHPHJXXRMQAOC-INIZCTEOSA-N 2 1 325.456 3.309 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653108574 461505041 /nfs/dbraw/zinc/50/50/41/461505041.db2.gz AEAYUAKWXHEMCN-ROUUACIJSA-N 2 1 343.515 3.067 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(OC)c2Cl)C1 ZINC000659978589 461526279 /nfs/dbraw/zinc/52/62/79/461526279.db2.gz FQTCQNCFNDZMLX-MRXNPFEDSA-N 2 1 340.895 3.281 20 0 EGADMP C[NH+]1CCN([C@H](C[NH2+]C2CCC(F)(F)CC2)c2cccs2)CC1 ZINC000647166488 461535196 /nfs/dbraw/zinc/53/51/96/461535196.db2.gz QHQFGFCPBGKEOY-OAHLLOKOSA-N 2 1 343.487 3.204 20 0 EGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CCC(F)(F)CC1 ZINC000647200195 461561595 /nfs/dbraw/zinc/56/15/95/461561595.db2.gz OZCJEGVIQVIISZ-SFHVURJKSA-N 2 1 338.442 3.311 20 0 EGADMP OC[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638760330 461564136 /nfs/dbraw/zinc/56/41/36/461564136.db2.gz OMIZYFYZWYJGFZ-KRQVXIAISA-N 2 1 328.500 3.495 20 0 EGADMP OC[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638760330 461564140 /nfs/dbraw/zinc/56/41/40/461564140.db2.gz OMIZYFYZWYJGFZ-KRQVXIAISA-N 2 1 328.500 3.495 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663344383 461570851 /nfs/dbraw/zinc/57/08/51/461570851.db2.gz SKRUAYSCXUQXCW-PXNSSMCTSA-N 2 1 346.515 3.312 20 0 EGADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347233 461578094 /nfs/dbraw/zinc/57/80/94/461578094.db2.gz HPERBCHHCFXGHA-FUHWJXTLSA-N 2 1 329.488 3.115 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@@H]1Sc2ccccc2NC1=O ZINC000660117116 461590164 /nfs/dbraw/zinc/59/01/64/461590164.db2.gz MEEDVQJMONXJGM-KRWDZBQOSA-N 2 1 344.484 3.017 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@@H]1Sc2ccccc2NC1=O ZINC000660117116 461590170 /nfs/dbraw/zinc/59/01/70/461590170.db2.gz MEEDVQJMONXJGM-KRWDZBQOSA-N 2 1 344.484 3.017 20 0 EGADMP CC(C)c1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000660156208 461612738 /nfs/dbraw/zinc/61/27/38/461612738.db2.gz QIIYXDDWEISSLG-NQIIRXRSSA-N 2 1 329.532 3.268 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1c(C2CC2)cnn1C ZINC000631192854 461632690 /nfs/dbraw/zinc/63/26/90/461632690.db2.gz AUZRKKHIFNESJZ-LPHOPBHVSA-N 2 1 338.499 3.155 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1c(C2CC2)cnn1C ZINC000631192854 461632695 /nfs/dbraw/zinc/63/26/95/461632695.db2.gz AUZRKKHIFNESJZ-LPHOPBHVSA-N 2 1 338.499 3.155 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663466955 461654307 /nfs/dbraw/zinc/65/43/07/461654307.db2.gz CBZODALILONSBD-NVXWUHKLSA-N 2 1 332.488 3.476 20 0 EGADMP c1ccc(CN2CCC[C@H]([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000663469212 461660793 /nfs/dbraw/zinc/66/07/93/461660793.db2.gz PBKNBLSOITWGSG-YADHBBJMSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](NC[C@H]3CCC[NH+](CC4CC4)C3)C2)cc1 ZINC000663469212 461660801 /nfs/dbraw/zinc/66/08/01/461660801.db2.gz PBKNBLSOITWGSG-YADHBBJMSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](NC[C@H]3CCC[NH+](CC4CC4)C3)C2)cc1 ZINC000663469212 461660807 /nfs/dbraw/zinc/66/08/07/461660807.db2.gz PBKNBLSOITWGSG-YADHBBJMSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](NC[C@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000663469212 461660815 /nfs/dbraw/zinc/66/08/15/461660815.db2.gz PBKNBLSOITWGSG-YADHBBJMSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](NC[C@H]3CCC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000663469212 461660824 /nfs/dbraw/zinc/66/08/24/461660824.db2.gz PBKNBLSOITWGSG-YADHBBJMSA-N 2 1 341.543 3.363 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000663471768 461662114 /nfs/dbraw/zinc/66/21/14/461662114.db2.gz XWVHOJOECIJPOL-NVXWUHKLSA-N 2 1 330.472 3.230 20 0 EGADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]CC3CCSCC3)C2)cc1 ZINC000639103062 461728831 /nfs/dbraw/zinc/72/88/31/461728831.db2.gz DFXUSTMMMBPJER-IBGZPJMESA-N 2 1 334.529 3.010 20 0 EGADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]CC3CCSCC3)C2)cc1 ZINC000639103062 461728835 /nfs/dbraw/zinc/72/88/35/461728835.db2.gz DFXUSTMMMBPJER-IBGZPJMESA-N 2 1 334.529 3.010 20 0 EGADMP Clc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc2c1OCCCO2 ZINC000647482849 461730348 /nfs/dbraw/zinc/73/03/48/461730348.db2.gz CSHWDHGXWITCPG-UHFFFAOYSA-N 2 1 336.863 3.218 20 0 EGADMP Clc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc2c1OCCCO2 ZINC000647482849 461730357 /nfs/dbraw/zinc/73/03/57/461730357.db2.gz CSHWDHGXWITCPG-UHFFFAOYSA-N 2 1 336.863 3.218 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647496778 461734832 /nfs/dbraw/zinc/73/48/32/461734832.db2.gz QXKHAFACTXUGSZ-GDBMZVCRSA-N 2 1 332.879 3.144 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647496778 461734834 /nfs/dbraw/zinc/73/48/34/461734834.db2.gz QXKHAFACTXUGSZ-GDBMZVCRSA-N 2 1 332.879 3.144 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000643458596 461735381 /nfs/dbraw/zinc/73/53/81/461735381.db2.gz ISQDWIKAMJAAIO-LDMBFOFVSA-N 2 1 332.332 3.484 20 0 EGADMP C[C@H](Nc1[nH+]ccc2[nH]ccc21)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000663654242 461737049 /nfs/dbraw/zinc/73/70/49/461737049.db2.gz FQAPPOZLOCKSKM-KXBFYZLASA-N 2 1 336.439 3.264 20 0 EGADMP C[C@H](Nc1[nH+]ccc2[nH]ccc21)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000663654242 461737053 /nfs/dbraw/zinc/73/70/53/461737053.db2.gz FQAPPOZLOCKSKM-KXBFYZLASA-N 2 1 336.439 3.264 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2cc(-c3ccncc3)ccc2OC)CC[C@H]1[NH3+] ZINC000647497880 461737609 /nfs/dbraw/zinc/73/76/09/461737609.db2.gz YYDCYFSKKCOVMX-HNAYVOBHSA-N 2 1 325.456 3.316 20 0 EGADMP Cc1cc(C)c(/C=C\C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c(C)c1 ZINC000637869523 461746971 /nfs/dbraw/zinc/74/69/71/461746971.db2.gz MHEQKNKLWCXWGH-SREVYHEPSA-N 2 1 341.543 3.338 20 0 EGADMP [NH3+]C1(CC(=O)Nc2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000637868686 461747272 /nfs/dbraw/zinc/74/72/72/461747272.db2.gz IERPRZGTSDRTCP-UHFFFAOYSA-N 2 1 341.430 3.148 20 0 EGADMP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H](C)[NH3+] ZINC000643528519 461753940 /nfs/dbraw/zinc/75/39/40/461753940.db2.gz KMQYUKFBZGWCBM-NWDGAFQWSA-N 2 1 337.261 3.306 20 0 EGADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000653604794 461755187 /nfs/dbraw/zinc/75/51/87/461755187.db2.gz ZNTWFEOYALCSDE-JKSUJKDBSA-N 2 1 332.410 3.305 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000653604794 461755190 /nfs/dbraw/zinc/75/51/90/461755190.db2.gz ZNTWFEOYALCSDE-JKSUJKDBSA-N 2 1 332.410 3.305 20 0 EGADMP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543520 461755998 /nfs/dbraw/zinc/75/59/98/461755998.db2.gz ORGFPYDIKWFDGV-RTBURBONSA-N 2 1 338.499 3.392 20 0 EGADMP COCCCOc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543383 461756846 /nfs/dbraw/zinc/75/68/46/461756846.db2.gz MDDMGTCGGQBEDY-VQTJNVASSA-N 2 1 346.515 3.314 20 0 EGADMP Cc1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1-c1ccccc1 ZINC000647543176 461757525 /nfs/dbraw/zinc/75/75/25/461757525.db2.gz IPSGUDOMTBFIJK-RTBURBONSA-N 2 1 338.499 3.392 20 0 EGADMP COc1cc2c(c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c1)O[C@@H](C)C2 ZINC000647543679 461759197 /nfs/dbraw/zinc/75/91/97/461759197.db2.gz RBFBKBCUGMWSQA-ULQDDVLXSA-N 2 1 344.499 3.230 20 0 EGADMP COc1cc(C)c([C@H](C)[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1C ZINC000639169660 461778797 /nfs/dbraw/zinc/77/87/97/461778797.db2.gz ICSGFJKQKXIHJR-SFHVURJKSA-N 2 1 347.547 3.331 20 0 EGADMP COc1cc(F)cc(OC)c1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000639176634 461781799 /nfs/dbraw/zinc/78/17/99/461781799.db2.gz INTUPJMASYMSDW-HNNXBMFYSA-N 2 1 336.451 3.007 20 0 EGADMP CC[N@@H+](CCC1CCN(c2cc(CO)cc(C)n2)CC1)CC1CC1 ZINC000663769152 461796996 /nfs/dbraw/zinc/79/69/96/461796996.db2.gz SGWNVJNWLOLGJX-UHFFFAOYSA-N 2 1 331.504 3.221 20 0 EGADMP CC[N@H+](CCC1CCN(c2cc(CO)cc(C)[nH+]2)CC1)CC1CC1 ZINC000663769152 461797005 /nfs/dbraw/zinc/79/70/05/461797005.db2.gz SGWNVJNWLOLGJX-UHFFFAOYSA-N 2 1 331.504 3.221 20 0 EGADMP CC[N@@H+](CCC1CCN(c2cc(CO)cc(C)[nH+]2)CC1)CC1CC1 ZINC000663769152 461797012 /nfs/dbraw/zinc/79/70/12/461797012.db2.gz SGWNVJNWLOLGJX-UHFFFAOYSA-N 2 1 331.504 3.221 20 0 EGADMP Cc1ccc(OCCC[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1C ZINC000660472311 461799003 /nfs/dbraw/zinc/79/90/03/461799003.db2.gz JBNUDWUKQMTUIL-HXUWFJFHSA-N 2 1 346.515 3.259 20 0 EGADMP C[C@@H]1CCC[C@]1(O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639209840 461805468 /nfs/dbraw/zinc/80/54/68/461805468.db2.gz FJCKCPDHBRJKDI-LMQGHGSNSA-N 2 1 328.500 3.495 20 0 EGADMP C[C@@H]1CCC[C@]1(O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639209840 461805474 /nfs/dbraw/zinc/80/54/74/461805474.db2.gz FJCKCPDHBRJKDI-LMQGHGSNSA-N 2 1 328.500 3.495 20 0 EGADMP CC(C)c1ccc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(O)c(=O)c1 ZINC000663828254 461826742 /nfs/dbraw/zinc/82/67/42/461826742.db2.gz JYUCQJQFTOACDD-QGZVFWFLSA-N 2 1 344.499 3.040 20 0 EGADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000643894845 461832490 /nfs/dbraw/zinc/83/24/90/461832490.db2.gz UMKLKGKQGWKGSY-JGUMPVPUSA-N 2 1 326.484 3.009 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000643894845 461832497 /nfs/dbraw/zinc/83/24/97/461832497.db2.gz UMKLKGKQGWKGSY-JGUMPVPUSA-N 2 1 326.484 3.009 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C3[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000643894845 461832503 /nfs/dbraw/zinc/83/25/03/461832503.db2.gz UMKLKGKQGWKGSY-JGUMPVPUSA-N 2 1 326.484 3.009 20 0 EGADMP c1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C3[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000643894845 461832507 /nfs/dbraw/zinc/83/25/07/461832507.db2.gz UMKLKGKQGWKGSY-JGUMPVPUSA-N 2 1 326.484 3.009 20 0 EGADMP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000647880984 461868052 /nfs/dbraw/zinc/86/80/52/461868052.db2.gz NGJVLBAJOKYFBJ-CQSZACIVSA-N 2 1 341.421 3.136 20 0 EGADMP CC[C@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000647936516 461893562 /nfs/dbraw/zinc/89/35/62/461893562.db2.gz GPRCCVFJKVJEEN-FXAWDEMLSA-N 2 1 337.467 3.498 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000647936516 461893567 /nfs/dbraw/zinc/89/35/67/461893567.db2.gz GPRCCVFJKVJEEN-FXAWDEMLSA-N 2 1 337.467 3.498 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705707 461898276 /nfs/dbraw/zinc/89/82/76/461898276.db2.gz RUVPLCRLOSBMNF-NSHGMRRFSA-N 2 1 332.488 3.194 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccccc3OC(F)F)C2)C1 ZINC000650705887 461899093 /nfs/dbraw/zinc/89/90/93/461899093.db2.gz ZZTOGQPIZHXJHM-ZMSDIMECSA-N 2 1 340.414 3.006 20 0 EGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650706498 461899638 /nfs/dbraw/zinc/89/96/38/461899638.db2.gz LXNLPYAVHSQWGK-CMKODMSKSA-N 2 1 332.488 3.192 20 0 EGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650706753 461900121 /nfs/dbraw/zinc/90/01/21/461900121.db2.gz RTNAIRJDAGSAOH-CMKODMSKSA-N 2 1 332.488 3.192 20 0 EGADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1OCC ZINC000650708903 461902521 /nfs/dbraw/zinc/90/25/21/461902521.db2.gz UEZQTGUSJXKYKW-PXNSSMCTSA-N 2 1 332.488 3.435 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000666995130 461903233 /nfs/dbraw/zinc/90/32/33/461903233.db2.gz DQHVRSWCKMOHAD-MISYRCLQSA-N 2 1 327.516 3.304 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)CCN1Cc1ccccc1 ZINC000666995130 461903240 /nfs/dbraw/zinc/90/32/40/461903240.db2.gz DQHVRSWCKMOHAD-MISYRCLQSA-N 2 1 327.516 3.304 20 0 EGADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cc(-c3ccc(F)cc3)no1)C2 ZINC000660654815 461904110 /nfs/dbraw/zinc/90/41/10/461904110.db2.gz HKHWOQDTBCDEQX-LJQANCHMSA-N 2 1 329.419 3.398 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000660655257 461906120 /nfs/dbraw/zinc/90/61/20/461906120.db2.gz LLKGPVKDCLJEPV-GHTZIAJQSA-N 2 1 343.515 3.357 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2nc3ccc(F)cc3s2)C1 ZINC000650723358 461914073 /nfs/dbraw/zinc/91/40/73/461914073.db2.gz MHTBNSGFVCDHCB-FVQBIDKESA-N 2 1 349.475 3.296 20 0 EGADMP Cc1nc2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)cc2s1 ZINC000650723026 461914185 /nfs/dbraw/zinc/91/41/85/461914185.db2.gz GKYXNNFRYLLHQH-NXHRZFHOSA-N 2 1 345.512 3.466 20 0 EGADMP COc1ccc([C@H](C)C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650723034 461914404 /nfs/dbraw/zinc/91/44/04/461914404.db2.gz GOIPAUMJGISINV-MCYKXBRJSA-N 2 1 332.488 3.160 20 0 EGADMP Cc1ccc2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)ccc2n1 ZINC000650723351 461914902 /nfs/dbraw/zinc/91/49/02/461914902.db2.gz MGWDQDKXGWKJIE-NRSPTQNISA-N 2 1 339.483 3.404 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C/C=C/c2ccc(F)cc2F)C1 ZINC000650723743 461916083 /nfs/dbraw/zinc/91/60/83/461916083.db2.gz SNSMWAKYZCOYSG-YOOHZWDDSA-N 2 1 336.426 3.339 20 0 EGADMP CC(C)(C)c1ncc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650723572 461916815 /nfs/dbraw/zinc/91/68/15/461916815.db2.gz QIEVEBUDCWCJML-FVQBIDKESA-N 2 1 337.533 3.301 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc3cc(F)ccc3o2)C1 ZINC000650723956 461917099 /nfs/dbraw/zinc/91/70/99/461917099.db2.gz WDORLSGWNDZQKV-HHXXYDBFSA-N 2 1 332.419 3.433 20 0 EGADMP COc1cc(C)[nH+]c(CN2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000660675345 461919663 /nfs/dbraw/zinc/91/96/63/461919663.db2.gz IPEDTOVYIDJZMW-UHFFFAOYSA-N 2 1 325.456 3.153 20 0 EGADMP Cc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)no1 ZINC000647977701 461920688 /nfs/dbraw/zinc/92/06/88/461920688.db2.gz GMMFHRLCZLUEGQ-DLBZAZTESA-N 2 1 340.471 3.257 20 0 EGADMP Cc1ccccc1-c1nc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)no1 ZINC000647977701 461920691 /nfs/dbraw/zinc/92/06/91/461920691.db2.gz GMMFHRLCZLUEGQ-DLBZAZTESA-N 2 1 340.471 3.257 20 0 EGADMP c1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647989922 461925951 /nfs/dbraw/zinc/92/59/51/461925951.db2.gz FCOCIZQBUPNVCX-GOSISDBHSA-N 2 1 326.488 3.281 20 0 EGADMP Cc1nc2c(n1C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCCC2 ZINC000664048450 461926038 /nfs/dbraw/zinc/92/60/38/461926038.db2.gz HNCZCLDDRYDHNJ-IBGZPJMESA-N 2 1 339.483 3.361 20 0 EGADMP Cc1[nH+]c2c(n1C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CCCC2 ZINC000664048450 461926043 /nfs/dbraw/zinc/92/60/43/461926043.db2.gz HNCZCLDDRYDHNJ-IBGZPJMESA-N 2 1 339.483 3.361 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000648047954 461958242 /nfs/dbraw/zinc/95/82/42/461958242.db2.gz VJWRVCCLEWNVPW-AZUAARDMSA-N 2 1 332.488 3.018 20 0 EGADMP C[N@@H+](CCC[NH2+]CCC(=O)Nc1ccccc1F)Cc1ccccc1 ZINC000644513813 461965224 /nfs/dbraw/zinc/96/52/24/461965224.db2.gz UYZGGDHBLJKXHG-UHFFFAOYSA-N 2 1 343.446 3.266 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@H+]([C@@H]1CC[C@](C)(c3ccccc3)C1)CCO2 ZINC000648072088 461968201 /nfs/dbraw/zinc/96/82/01/461968201.db2.gz KWGRMEUBERXBMV-UXHICEINSA-N 2 1 328.500 3.293 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182719 461982803 /nfs/dbraw/zinc/98/28/03/461982803.db2.gz LVPCKZVBABFSJX-VQTJNVASSA-N 2 1 329.532 3.361 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000657189400 461983285 /nfs/dbraw/zinc/98/32/85/461983285.db2.gz WNPCBDJTKVWZIK-INIZCTEOSA-N 2 1 346.906 3.406 20 0 EGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3CC[N@H+]3C(C)(C)C)ccc21 ZINC000667196883 461991467 /nfs/dbraw/zinc/99/14/67/461991467.db2.gz GXCLOKGAJOQHFZ-AEFFLSMTSA-N 2 1 344.503 3.230 20 0 EGADMP CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000667196571 461991636 /nfs/dbraw/zinc/99/16/36/461991636.db2.gz ZRUJEYXHQQUWFF-GOSISDBHSA-N 2 1 346.519 3.477 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000644653685 462024428 /nfs/dbraw/zinc/02/44/28/462024428.db2.gz NOEKNUDCUUKKOA-JBACZVJFSA-N 2 1 342.458 3.154 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000644653685 462024435 /nfs/dbraw/zinc/02/44/35/462024435.db2.gz NOEKNUDCUUKKOA-JBACZVJFSA-N 2 1 342.458 3.154 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](Cc3csc(Br)c3)C2)CC1 ZINC000639758631 462095757 /nfs/dbraw/zinc/09/57/57/462095757.db2.gz WUDNEWIZKORYOP-UHFFFAOYSA-N 2 1 329.307 3.428 20 0 EGADMP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000651210959 462135881 /nfs/dbraw/zinc/13/58/81/462135881.db2.gz JEERRAVJHALZLP-AZUAARDMSA-N 2 1 346.515 3.072 20 0 EGADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(C[NH+]2CCCC2)cc1 ZINC000654307265 462149615 /nfs/dbraw/zinc/14/96/15/462149615.db2.gz QUSGVGXJBACZGV-PMACEKPBSA-N 2 1 341.499 3.029 20 0 EGADMP Cc1cccc2[nH]c(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)cc21 ZINC000667707182 462223793 /nfs/dbraw/zinc/22/37/93/462223793.db2.gz SEYUAWLQDXMXGJ-FFZOFVMBSA-N 2 1 327.472 3.160 20 0 EGADMP Cc1cccc2[nH]c(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)cc21 ZINC000667707182 462223798 /nfs/dbraw/zinc/22/37/98/462223798.db2.gz SEYUAWLQDXMXGJ-FFZOFVMBSA-N 2 1 327.472 3.160 20 0 EGADMP c1csc(N2CCC([NH2+][C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)n1 ZINC000657678450 462228113 /nfs/dbraw/zinc/22/81/13/462228113.db2.gz QONVXKSUKFGUCN-INIZCTEOSA-N 2 1 334.533 3.109 20 0 EGADMP c1csc(N2CCC([NH2+][C@H]3CC[N@H+](C4CCCCC4)C3)CC2)n1 ZINC000657678450 462228121 /nfs/dbraw/zinc/22/81/21/462228121.db2.gz QONVXKSUKFGUCN-INIZCTEOSA-N 2 1 334.533 3.109 20 0 EGADMP [NH3+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000667735069 462238705 /nfs/dbraw/zinc/23/87/05/462238705.db2.gz HBGIIHZIPUUOAT-SFHVURJKSA-N 2 1 330.476 3.064 20 0 EGADMP COCc1ccccc1/C=C(\C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751210 462251751 /nfs/dbraw/zinc/25/17/51/462251751.db2.gz HCNLAWOOSQNULR-RYEVTAHJSA-N 2 1 344.499 3.079 20 0 EGADMP COc1cc(C)[nH+]c(CN2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC000661642347 462344596 /nfs/dbraw/zinc/34/45/96/462344596.db2.gz DZRNVEUCIZWEEQ-FQEVSTJZSA-N 2 1 339.483 3.147 20 0 EGADMP COc1cc(C)[nH+]c(CN2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000661642347 462344600 /nfs/dbraw/zinc/34/46/00/462344600.db2.gz DZRNVEUCIZWEEQ-FQEVSTJZSA-N 2 1 339.483 3.147 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)[C@@H](C)C1 ZINC000658068066 462365118 /nfs/dbraw/zinc/36/51/18/462365118.db2.gz BOFIRQVOAKELLQ-BQFCYCMXSA-N 2 1 335.923 3.486 20 0 EGADMP [NH3+]C1(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000665248031 462366991 /nfs/dbraw/zinc/36/69/91/462366991.db2.gz NTMCGROYDKCQGU-HSALFYBXSA-N 2 1 327.516 3.148 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C1(CO)CC1 ZINC000658154236 462408398 /nfs/dbraw/zinc/40/83/98/462408398.db2.gz KHEHFAYZUNIVRG-FFGOWVMKSA-N 2 1 328.500 3.180 20 0 EGADMP COc1cccc(NC(=O)CC[N@@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000640532984 462431688 /nfs/dbraw/zinc/43/16/88/462431688.db2.gz MAHLDOCBGBJFNR-UHFFFAOYSA-N 2 1 347.503 3.222 20 0 EGADMP CC(C)C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000652150460 462451114 /nfs/dbraw/zinc/45/11/14/462451114.db2.gz XLAVXWIVJKHENW-MJGOQNOKSA-N 2 1 349.494 3.090 20 0 EGADMP Cc1ccccc1CN1CCC[N@@H+](CCCC2CC[NH2+]CC2)CC1 ZINC000649411546 462502105 /nfs/dbraw/zinc/50/21/05/462502105.db2.gz DMSBBDSJJZJHDD-UHFFFAOYSA-N 2 1 329.532 3.283 20 0 EGADMP Cc1ccccc1C[N@@H+]1CCCN(CCCC2CC[NH2+]CC2)CC1 ZINC000649411546 462502109 /nfs/dbraw/zinc/50/21/09/462502109.db2.gz DMSBBDSJJZJHDD-UHFFFAOYSA-N 2 1 329.532 3.283 20 0 EGADMP Cc1ccccc1C[N@H+]1CCCN(CCCC2CC[NH2+]CC2)CC1 ZINC000649411546 462502113 /nfs/dbraw/zinc/50/21/13/462502113.db2.gz DMSBBDSJJZJHDD-UHFFFAOYSA-N 2 1 329.532 3.283 20 0 EGADMP C[C@@H]1CCC[C@@](C[NH2+]C2CCN(c3ccccn3)CC2)([NH+](C)C)C1 ZINC000129428728 533799162 /nfs/dbraw/zinc/79/91/62/533799162.db2.gz YFTUUYQWKIHGKQ-YLJYHZDGSA-N 2 1 330.520 3.151 20 0 EGADMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccc(F)c1F ZINC000183317509 533937600 /nfs/dbraw/zinc/93/76/00/533937600.db2.gz QSOOSFVQCBUVBZ-ZDUSSCGKSA-N 2 1 335.398 3.151 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000178233830 534850440 /nfs/dbraw/zinc/85/04/40/534850440.db2.gz QARVUOWEEIYVJD-GOEBONIOSA-N 2 1 332.517 3.353 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000178233830 534850443 /nfs/dbraw/zinc/85/04/43/534850443.db2.gz QARVUOWEEIYVJD-GOEBONIOSA-N 2 1 332.517 3.353 20 0 EGADMP CC(=O)NC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000155237219 526702443 /nfs/dbraw/zinc/70/24/43/526702443.db2.gz XNSLZHLZTUXSKZ-JPXCIIHESA-N 2 1 343.515 3.076 20 0 EGADMP CC(=O)NC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000155237219 526702453 /nfs/dbraw/zinc/70/24/53/526702453.db2.gz XNSLZHLZTUXSKZ-JPXCIIHESA-N 2 1 343.515 3.076 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000153166637 527879713 /nfs/dbraw/zinc/87/97/13/527879713.db2.gz TUDMCRAJMUXREK-WBVHZDCISA-N 2 1 334.504 3.301 20 0 EGADMP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C12CCCC2 ZINC000181540905 528098076 /nfs/dbraw/zinc/09/80/76/528098076.db2.gz HDHFIXXJNJHOLD-MSOLQXFVSA-N 2 1 340.471 3.403 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccccc1CC ZINC000191499172 528862618 /nfs/dbraw/zinc/86/26/18/528862618.db2.gz VKHIAVOVSGFJQU-UHFFFAOYSA-N 2 1 342.487 3.359 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccccc1CC ZINC000191499172 528862624 /nfs/dbraw/zinc/86/26/24/528862624.db2.gz VKHIAVOVSGFJQU-UHFFFAOYSA-N 2 1 342.487 3.359 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000187662701 529143437 /nfs/dbraw/zinc/14/34/37/529143437.db2.gz WIDJPYHXXISSGJ-KRWDZBQOSA-N 2 1 337.939 3.451 20 0 EGADMP C[C@H]([NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000124733519 546748139 /nfs/dbraw/zinc/74/81/39/546748139.db2.gz UAALHJXJFLLDCJ-QRVBRYPASA-N 2 1 343.559 3.463 20 0 EGADMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000131383605 546804740 /nfs/dbraw/zinc/80/47/40/546804740.db2.gz ILJVRDZFHQRUAJ-QGZVFWFLSA-N 2 1 338.904 3.471 20 0 EGADMP Cc1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)cc1 ZINC000166398823 546988039 /nfs/dbraw/zinc/98/80/39/546988039.db2.gz JABLVGHPNQXDAB-HBMCJLEFSA-N 2 1 327.516 3.348 20 0 EGADMP Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)s1 ZINC000248433648 547298975 /nfs/dbraw/zinc/29/89/75/547298975.db2.gz DIXXTSDWHYONTI-KDOFPFPSSA-N 2 1 345.512 3.259 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000281250026 547376982 /nfs/dbraw/zinc/37/69/82/547376982.db2.gz NVQKEDXGUIISHH-KRWDZBQOSA-N 2 1 342.487 3.024 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(OC)c1 ZINC000339066103 547567663 /nfs/dbraw/zinc/56/76/63/547567663.db2.gz BCZPPUDIXCTGMZ-SVFBPWRDSA-N 2 1 345.531 3.295 20 0 EGADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC(F)F ZINC000339071407 547568083 /nfs/dbraw/zinc/56/80/83/547568083.db2.gz QZYSYCGLOCSAHU-GJZGRUSLSA-N 2 1 340.414 3.056 20 0 EGADMP CCOc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OCC ZINC000339073910 547568797 /nfs/dbraw/zinc/56/87/97/547568797.db2.gz GYYYRIYDPXLUKR-MSOLQXFVSA-N 2 1 332.488 3.243 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000361150925 547761940 /nfs/dbraw/zinc/76/19/40/547761940.db2.gz CKHUJWXRLXTFKU-SHPPYHEDSA-N 2 1 329.488 3.139 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)sn1 ZINC000399140344 547836820 /nfs/dbraw/zinc/83/68/20/547836820.db2.gz UEDCBOBOQKMSPA-RHSMWYFYSA-N 2 1 331.485 3.152 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000414304171 547856420 /nfs/dbraw/zinc/85/64/20/547856420.db2.gz XNKUOPVPXBKLLO-GIVPXCGWSA-N 2 1 342.458 3.327 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000414304171 547856425 /nfs/dbraw/zinc/85/64/25/547856425.db2.gz XNKUOPVPXBKLLO-GIVPXCGWSA-N 2 1 342.458 3.327 20 0 EGADMP C[C@H](CC1CCC1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000675832227 548992054 /nfs/dbraw/zinc/99/20/54/548992054.db2.gz JYNUWJXSHRPSPX-OXQOHEQNSA-N 2 1 343.515 3.052 20 0 EGADMP C([C@@H]1CCCO1)N1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000675883385 548996736 /nfs/dbraw/zinc/99/67/36/548996736.db2.gz ZOJXRDDMGFLAFO-NRFANRHFSA-N 2 1 349.563 3.017 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000675883262 548996788 /nfs/dbraw/zinc/99/67/88/548996788.db2.gz ZDRNYDNWXJOHRU-UWJYYQICSA-N 2 1 346.515 3.249 20 0 EGADMP C[C@H](C[C@H]1CCOC1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000675935249 549006882 /nfs/dbraw/zinc/00/68/82/549006882.db2.gz FMXHJMMCVHLKSU-SJLPKXTDSA-N 2 1 334.479 3.237 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc(N(C)C)c2)CC1 ZINC000678045831 549383855 /nfs/dbraw/zinc/38/38/55/549383855.db2.gz LDOPPDJONBCZQO-UHFFFAOYSA-N 2 1 347.547 3.323 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2cccc(OC)c2)C[C@H]1C ZINC000678276402 549455589 /nfs/dbraw/zinc/45/55/89/549455589.db2.gz HPZXPOUDKCSVFI-QAPCUYQASA-N 2 1 342.487 3.390 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2cccc(OC)c2)C[C@H]1C ZINC000678276402 549455591 /nfs/dbraw/zinc/45/55/91/549455591.db2.gz HPZXPOUDKCSVFI-QAPCUYQASA-N 2 1 342.487 3.390 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2cccc(OC)c2)C[C@H]1C ZINC000678276402 549455593 /nfs/dbraw/zinc/45/55/93/549455593.db2.gz HPZXPOUDKCSVFI-QAPCUYQASA-N 2 1 342.487 3.390 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2cccc(OC)c2)C[C@H]1C ZINC000678276402 549455595 /nfs/dbraw/zinc/45/55/95/549455595.db2.gz HPZXPOUDKCSVFI-QAPCUYQASA-N 2 1 342.487 3.390 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000678285227 549460668 /nfs/dbraw/zinc/46/06/68/549460668.db2.gz QGOYRFYXZHCDTK-GOSISDBHSA-N 2 1 327.472 3.168 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCCc2cnn(C)c2)CC1)CC1CC1 ZINC000678469787 549502477 /nfs/dbraw/zinc/50/24/77/549502477.db2.gz IPXWSSODZUKBML-UHFFFAOYSA-N 2 1 332.536 3.187 20 0 EGADMP CCc1cccnc1[C@@H](C)[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000679577477 549738344 /nfs/dbraw/zinc/73/83/44/549738344.db2.gz QXKVQCDPTDWYEY-QAPCUYQASA-N 2 1 339.487 3.370 20 0 EGADMP OCc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000680144311 549827260 /nfs/dbraw/zinc/82/72/60/549827260.db2.gz MWTPLXXRGIFNHW-JRGCBEDISA-N 2 1 340.467 3.162 20 0 EGADMP OCc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000680144311 549827261 /nfs/dbraw/zinc/82/72/61/549827261.db2.gz MWTPLXXRGIFNHW-JRGCBEDISA-N 2 1 340.467 3.162 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000681250285 549972872 /nfs/dbraw/zinc/97/28/72/549972872.db2.gz CIOQMVYVUOPEBB-PKOBYXMFSA-N 2 1 345.531 3.182 20 0 EGADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccnn1C ZINC000682616665 550120319 /nfs/dbraw/zinc/12/03/19/550120319.db2.gz GQJMGWOSTIGRTE-HXUWFJFHSA-N 2 1 340.515 3.414 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCS1 ZINC000683164679 550199147 /nfs/dbraw/zinc/19/91/47/550199147.db2.gz MNGFVTYDEYBTOS-KRWDZBQOSA-N 2 1 334.529 3.489 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000683929497 550274674 /nfs/dbraw/zinc/27/46/74/550274674.db2.gz DALFJQGPAKIDOT-HXUWFJFHSA-N 2 1 335.451 3.024 20 0 EGADMP CCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OCC ZINC000685470763 550421275 /nfs/dbraw/zinc/42/12/75/550421275.db2.gz QAFHBFSFBUBAON-ROUUACIJSA-N 2 1 332.488 3.400 20 0 EGADMP CCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1OCC ZINC000685470763 550421277 /nfs/dbraw/zinc/42/12/77/550421277.db2.gz QAFHBFSFBUBAON-ROUUACIJSA-N 2 1 332.488 3.400 20 0 EGADMP CCOc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1OCC ZINC000685470763 550421278 /nfs/dbraw/zinc/42/12/78/550421278.db2.gz QAFHBFSFBUBAON-ROUUACIJSA-N 2 1 332.488 3.400 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC000729333560 574843463 /nfs/dbraw/zinc/84/34/63/574843463.db2.gz BSCMOBKEGGVQJQ-QUCCMNQESA-N 2 1 343.515 3.204 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000733780433 575392343 /nfs/dbraw/zinc/39/23/43/575392343.db2.gz UYBAZDLBENULQH-IEBWSBKVSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000733780433 575392348 /nfs/dbraw/zinc/39/23/48/575392348.db2.gz UYBAZDLBENULQH-IEBWSBKVSA-N 2 1 346.519 3.085 20 0 EGADMP C[C@H]1CCC[N@@H+]1CC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000742387348 576777882 /nfs/dbraw/zinc/77/78/82/576777882.db2.gz RXUDSMBDOCXMNY-INIZCTEOSA-N 2 1 339.524 3.098 20 0 EGADMP C[C@H]1CCC[N@H+]1CC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000742387348 576777883 /nfs/dbraw/zinc/77/78/83/576777883.db2.gz RXUDSMBDOCXMNY-INIZCTEOSA-N 2 1 339.524 3.098 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000693733565 1298150994 /nfs/dbraw/zinc/15/09/94/1298150994.db2.gz AKYSXEMJIJOQDU-QNDFHXLGSA-N 2 1 341.543 3.406 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCCCCCNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000698068319 1298166932 /nfs/dbraw/zinc/16/69/32/1298166932.db2.gz JOMIGMXQHKXRNQ-HZPDHXFCSA-N 2 1 327.513 3.144 20 0 EGADMP CCOc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)ccc1OC(=O)CC ZINC000843043874 1321460340 /nfs/dbraw/zinc/46/03/40/1321460340.db2.gz OAMIMZCPUJYNOZ-UHFFFAOYSA-N 2 1 346.471 3.117 20 0 EGADMP CCOc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccc1OC(=O)CC ZINC000843043874 1321460342 /nfs/dbraw/zinc/46/03/42/1321460342.db2.gz OAMIMZCPUJYNOZ-UHFFFAOYSA-N 2 1 346.471 3.117 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC000073034092 1292301884 /nfs/dbraw/zinc/30/18/84/1292301884.db2.gz PTWQQGDRKILOFN-QUCCMNQESA-N 2 1 343.515 3.204 20 0 EGADMP C[C@H](C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1)C[NH+]1CCCC1 ZINC000075818766 1292413031 /nfs/dbraw/zinc/41/30/31/1292413031.db2.gz SYMOOBBFEQFCTA-MRXNPFEDSA-N 2 1 346.906 3.406 20 0 EGADMP CC(C)c1noc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000089578582 1292772140 /nfs/dbraw/zinc/77/21/40/1292772140.db2.gz GDVAPQLNPKOFQJ-SJLPKXTDSA-N 2 1 342.487 3.378 20 0 EGADMP CC(C)c1noc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000089578582 1292772145 /nfs/dbraw/zinc/77/21/45/1292772145.db2.gz GDVAPQLNPKOFQJ-SJLPKXTDSA-N 2 1 342.487 3.378 20 0 EGADMP CCc1nn(C)cc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000092411895 1292866620 /nfs/dbraw/zinc/86/66/20/1292866620.db2.gz WZKNQVNIRQIOEV-IRXDYDNUSA-N 2 1 340.515 3.229 20 0 EGADMP CO[C@@H]1CC[N@@H+](CCCCCC[NH+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000831534025 1292878913 /nfs/dbraw/zinc/87/89/13/1292878913.db2.gz MLNYNUDUNQYYRL-LWYYNNOASA-N 2 1 340.552 3.260 20 0 EGADMP CO[C@@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000831534025 1292878929 /nfs/dbraw/zinc/87/89/29/1292878929.db2.gz MLNYNUDUNQYYRL-LWYYNNOASA-N 2 1 340.552 3.260 20 0 EGADMP CO[C@@H]1CC[NH+](CCCCCC[N@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000831534025 1292878945 /nfs/dbraw/zinc/87/89/45/1292878945.db2.gz MLNYNUDUNQYYRL-LWYYNNOASA-N 2 1 340.552 3.260 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000831874660 1292933421 /nfs/dbraw/zinc/93/34/21/1292933421.db2.gz ZFAVAQQFYMSAMQ-IBGZPJMESA-N 2 1 349.494 3.153 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000105451625 1293036349 /nfs/dbraw/zinc/03/63/49/1293036349.db2.gz JNLJNRDZKOFHEX-UHFFFAOYSA-N 2 1 344.330 3.357 20 0 EGADMP COc1cc(OC)c(OC)cc1C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116379563 1293204891 /nfs/dbraw/zinc/20/48/91/1293204891.db2.gz VRLLTTYILRUGTL-GOSISDBHSA-N 2 1 338.492 3.168 20 0 EGADMP Cc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c(C)o1 ZINC000119202289 1293260032 /nfs/dbraw/zinc/26/00/32/1293260032.db2.gz HGLHCJULNDXZOL-MRXNPFEDSA-N 2 1 328.456 3.407 20 0 EGADMP Cc1cc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c(C)o1 ZINC000119202289 1293260035 /nfs/dbraw/zinc/26/00/35/1293260035.db2.gz HGLHCJULNDXZOL-MRXNPFEDSA-N 2 1 328.456 3.407 20 0 EGADMP C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000120641625 1293331995 /nfs/dbraw/zinc/33/19/95/1293331995.db2.gz JXIIJZYZFITMIY-IERDGZPVSA-N 2 1 342.458 3.113 20 0 EGADMP CCOC(C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)OCC ZINC000124682082 1293482324 /nfs/dbraw/zinc/48/23/24/1293482324.db2.gz GOMOZOWCPVFJHA-QGZVFWFLSA-N 2 1 326.525 3.362 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[NH2+]C(C)(C)C ZINC000145129797 1293868053 /nfs/dbraw/zinc/86/80/53/1293868053.db2.gz OPRBOBYNZRHGBL-INIZCTEOSA-N 2 1 331.504 3.065 20 0 EGADMP CC(C)C[NH+]1CCC(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000151468825 1293925456 /nfs/dbraw/zinc/92/54/56/1293925456.db2.gz ZIXNVQKSGFGXRA-NQIIRXRSSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000151468825 1293925462 /nfs/dbraw/zinc/92/54/62/1293925462.db2.gz ZIXNVQKSGFGXRA-NQIIRXRSSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)COC(=O)N1CCC([NH2+]CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000151914368 1293944858 /nfs/dbraw/zinc/94/48/58/1293944858.db2.gz WMKPKCKCVLBDAC-QGZVFWFLSA-N 2 1 339.524 3.098 20 0 EGADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000153620226 1294022776 /nfs/dbraw/zinc/02/27/76/1294022776.db2.gz WDISHKCCYQQZFY-HXUWFJFHSA-N 2 1 345.531 3.080 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)CCCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000155692642 1294110614 /nfs/dbraw/zinc/11/06/14/1294110614.db2.gz UNZBCSFQXRAVLC-IEBWSBKVSA-N 2 1 331.504 3.017 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccnc(Cl)c3)CC2)nc(C)[nH+]1 ZINC000162279506 1294311895 /nfs/dbraw/zinc/31/18/95/1294311895.db2.gz IFBVBNHBFNSLQQ-CYBMUJFWSA-N 2 1 345.878 3.461 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000168512830 1294368205 /nfs/dbraw/zinc/36/82/05/1294368205.db2.gz UYHVGQPFFFMGHO-MDNKFWRPSA-N 2 1 343.515 3.015 20 0 EGADMP CCC[C@@H]1CC(=O)N(C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000173337636 1294459739 /nfs/dbraw/zinc/45/97/39/1294459739.db2.gz WUHFNCVNTYIPGO-LJQANCHMSA-N 2 1 331.504 3.176 20 0 EGADMP CCC[C@@H]1CC(=O)N(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000173337636 1294459741 /nfs/dbraw/zinc/45/97/41/1294459741.db2.gz WUHFNCVNTYIPGO-LJQANCHMSA-N 2 1 331.504 3.176 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000176748808 1294627903 /nfs/dbraw/zinc/62/79/03/1294627903.db2.gz HCAADXCIQVPUFA-UHFFFAOYSA-N 2 1 346.515 3.379 20 0 EGADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000217705014 1296123063 /nfs/dbraw/zinc/12/30/63/1296123063.db2.gz FSQYJKSIFXXWOW-JKSUJKDBSA-N 2 1 327.513 3.144 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000217705014 1296123069 /nfs/dbraw/zinc/12/30/69/1296123069.db2.gz FSQYJKSIFXXWOW-JKSUJKDBSA-N 2 1 327.513 3.144 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC[NH2+]CC2CC2)cc1 ZINC000870867962 1296121757 /nfs/dbraw/zinc/12/17/57/1296121757.db2.gz PZSJFEPXXCDFEF-INIZCTEOSA-N 2 1 329.488 3.389 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000870891677 1296132159 /nfs/dbraw/zinc/13/21/59/1296132159.db2.gz HPHFZXNGLADZOK-AFYVEPGGSA-N 2 1 343.515 3.015 20 0 EGADMP CC[C@@H]1CC(=O)N(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1 ZINC000246122905 1296337696 /nfs/dbraw/zinc/33/76/96/1296337696.db2.gz YRVICSAJDWRKIZ-QZTJIDSGSA-N 2 1 335.536 3.179 20 0 EGADMP CC[C@@H]1CC(=O)N(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1 ZINC000246122905 1296337709 /nfs/dbraw/zinc/33/77/09/1296337709.db2.gz YRVICSAJDWRKIZ-QZTJIDSGSA-N 2 1 335.536 3.179 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000248627402 1296421914 /nfs/dbraw/zinc/42/19/14/1296421914.db2.gz GFGGQNBVKBCMNP-IXDOHACOSA-N 2 1 339.524 3.286 20 0 EGADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000261942968 1296611177 /nfs/dbraw/zinc/61/11/77/1296611177.db2.gz DYGVCHVHHCDOAH-UHFFFAOYSA-N 2 1 336.483 3.425 20 0 EGADMP c1ccc(COc2ccccc2C[N@H+]2CCC3(C2)CC[NH2+]CC3)nc1 ZINC000261999502 1296613914 /nfs/dbraw/zinc/61/39/14/1296613914.db2.gz LFHXNDRFBZRHCN-UHFFFAOYSA-N 2 1 337.467 3.236 20 0 EGADMP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157387 1296776596 /nfs/dbraw/zinc/77/65/96/1296776596.db2.gz MZZMPYQKJRHLTB-GPMSIDNRSA-N 2 1 335.536 3.053 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC000302083065 1296797498 /nfs/dbraw/zinc/79/74/98/1296797498.db2.gz FAYYLYSHFSMHCI-GOSISDBHSA-N 2 1 347.503 3.143 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000305103721 1296978681 /nfs/dbraw/zinc/97/86/81/1296978681.db2.gz CEQOVRVNWSSKMQ-UVBJJODRSA-N 2 1 331.287 3.347 20 0 EGADMP C[N@H+]1CCC[C@H]2CN(Cn3ccc(-c4cccc(F)c4)n3)CC[C@@H]21 ZINC000872592292 1297018339 /nfs/dbraw/zinc/01/83/39/1297018339.db2.gz XLFOMDKAHWJLRX-LPHOPBHVSA-N 2 1 328.435 3.063 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592341 1297019001 /nfs/dbraw/zinc/01/90/01/1297019001.db2.gz NWTXIHNWLOBOJD-VQIMIIECSA-N 2 1 328.435 3.063 20 0 EGADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592341 1297019016 /nfs/dbraw/zinc/01/90/16/1297019016.db2.gz NWTXIHNWLOBOJD-VQIMIIECSA-N 2 1 328.435 3.063 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592341 1297019030 /nfs/dbraw/zinc/01/90/30/1297019030.db2.gz NWTXIHNWLOBOJD-VQIMIIECSA-N 2 1 328.435 3.063 20 0 EGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592341 1297019045 /nfs/dbraw/zinc/01/90/45/1297019045.db2.gz NWTXIHNWLOBOJD-VQIMIIECSA-N 2 1 328.435 3.063 20 0 EGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872592341 1297019057 /nfs/dbraw/zinc/01/90/57/1297019057.db2.gz NWTXIHNWLOBOJD-VQIMIIECSA-N 2 1 328.435 3.063 20 0 EGADMP C[NH+]1CCC(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000310402349 1297094405 /nfs/dbraw/zinc/09/44/05/1297094405.db2.gz NLSZUWLSMYIQBC-OAQYLSRUSA-N 3 1 329.532 3.220 20 0 EGADMP CCOC(=O)/C=C/C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000310969249 1297104634 /nfs/dbraw/zinc/10/46/34/1297104634.db2.gz HUOLGUIUBUWBAQ-RMKNXTFCSA-N 2 1 342.483 3.094 20 0 EGADMP c1c(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000873206975 1297352260 /nfs/dbraw/zinc/35/22/60/1297352260.db2.gz HFAOJBXZAFBUFM-KRWDZBQOSA-N 2 1 327.497 3.470 20 0 EGADMP C[C@@H]([NH2+]Cc1cc(N)cc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873288815 1297410708 /nfs/dbraw/zinc/41/07/08/1297410708.db2.gz MALHFPZEFGDZBU-CRAIPNDOSA-N 2 1 327.447 3.408 20 0 EGADMP C[N@H+](CCC[NH2+]C[C@H](O)c1c(F)cccc1F)Cc1ccccc1 ZINC000381690884 1297553611 /nfs/dbraw/zinc/55/36/11/1297553611.db2.gz UYKYCUHPQYEVCP-SFHVURJKSA-N 2 1 334.410 3.110 20 0 EGADMP C[N@@H+](CCC[NH2+]C[C@H](O)c1c(F)cccc1F)Cc1ccccc1 ZINC000381690884 1297553617 /nfs/dbraw/zinc/55/36/17/1297553617.db2.gz UYKYCUHPQYEVCP-SFHVURJKSA-N 2 1 334.410 3.110 20 0 EGADMP C[C@@]1(C[NH2+]Cc2cccc3c2OCO3)CC[N@H+](Cc2ccccc2)C1 ZINC000386226496 1297589482 /nfs/dbraw/zinc/58/94/82/1297589482.db2.gz ZSGYMVLQJVGCDO-NRFANRHFSA-N 2 1 338.451 3.417 20 0 EGADMP C[C@@]1(C[NH2+]Cc2cccc3c2OCO3)CC[N@@H+](Cc2ccccc2)C1 ZINC000386226496 1297589490 /nfs/dbraw/zinc/58/94/90/1297589490.db2.gz ZSGYMVLQJVGCDO-NRFANRHFSA-N 2 1 338.451 3.417 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1O ZINC000398229609 1297715277 /nfs/dbraw/zinc/71/52/77/1297715277.db2.gz ZGEYPYCDQDFBHS-APWZRJJASA-N 2 1 340.467 3.401 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1O ZINC000398229609 1297715285 /nfs/dbraw/zinc/71/52/85/1297715285.db2.gz ZGEYPYCDQDFBHS-APWZRJJASA-N 2 1 340.467 3.401 20 0 EGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C(C)C ZINC000692154429 1298140460 /nfs/dbraw/zinc/14/04/60/1298140460.db2.gz RVQQVDJRDJJEBR-IAGOWNOFSA-N 2 1 341.540 3.483 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699213539 1298169544 /nfs/dbraw/zinc/16/95/44/1298169544.db2.gz ZBLHIDQGCGIFKU-XSLAUPDRSA-N 2 1 327.516 3.113 20 0 EGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000702628434 1298196162 /nfs/dbraw/zinc/19/61/62/1298196162.db2.gz LKKDPFRYWZDDFV-QHAWAJNXSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000702628434 1298196166 /nfs/dbraw/zinc/19/61/66/1298196166.db2.gz LKKDPFRYWZDDFV-QHAWAJNXSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)(C)[NH2+]CC[NH2+]C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC000705538458 1298215583 /nfs/dbraw/zinc/21/55/83/1298215583.db2.gz NUANFHALEYVULP-UHFFFAOYSA-N 2 1 327.513 3.192 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc2c1OCO2 ZINC000708529803 1298241018 /nfs/dbraw/zinc/24/10/18/1298241018.db2.gz KUPXCEQCHALYSC-QFBILLFUSA-N 2 1 338.451 3.273 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc2c1OCO2 ZINC000708529803 1298241027 /nfs/dbraw/zinc/24/10/27/1298241027.db2.gz KUPXCEQCHALYSC-QFBILLFUSA-N 2 1 338.451 3.273 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnc2ccccc2n1 ZINC000708574431 1298241585 /nfs/dbraw/zinc/24/15/85/1298241585.db2.gz NVIVVKIOKSHVRC-HKUYNNGSSA-N 2 1 346.478 3.488 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnc2ccccc2n1 ZINC000708574431 1298241597 /nfs/dbraw/zinc/24/15/97/1298241597.db2.gz NVIVVKIOKSHVRC-HKUYNNGSSA-N 2 1 346.478 3.488 20 0 EGADMP [NH3+]CCCCCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715050776 1298276689 /nfs/dbraw/zinc/27/66/89/1298276689.db2.gz LGBUEPAFXHGJEU-PMACEKPBSA-N 2 1 343.515 3.019 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000724068613 1298346971 /nfs/dbraw/zinc/34/69/71/1298346971.db2.gz MHAATZLMZMEYJY-ZACQAIPSSA-N 2 1 339.524 3.001 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(OCc4ccccn4)c3)CC[C@H]21 ZINC000877744407 1299521503 /nfs/dbraw/zinc/52/15/03/1299521503.db2.gz SMGZDJAPHKYOSD-WIYYLYMNSA-N 2 1 337.467 3.187 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(OCc4ccccn4)c3)CC[C@H]21 ZINC000877744407 1299521510 /nfs/dbraw/zinc/52/15/10/1299521510.db2.gz SMGZDJAPHKYOSD-WIYYLYMNSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(OCc4ccccn4)c3)CC[C@H]21 ZINC000877744407 1299521518 /nfs/dbraw/zinc/52/15/18/1299521518.db2.gz SMGZDJAPHKYOSD-WIYYLYMNSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(OCc4ccccn4)c3)CC[C@H]21 ZINC000877744407 1299521523 /nfs/dbraw/zinc/52/15/23/1299521523.db2.gz SMGZDJAPHKYOSD-WIYYLYMNSA-N 2 1 337.467 3.187 20 0 EGADMP CC(C)(C)[C@@]1(C[NH2+]C[C@H]2C[C@H](O)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000877811636 1299573244 /nfs/dbraw/zinc/57/32/44/1299573244.db2.gz RTOOFXXFZZHQLB-SFHLNBCPSA-N 2 1 330.516 3.285 20 0 EGADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000878126187 1299764485 /nfs/dbraw/zinc/76/44/85/1299764485.db2.gz UKUOWFIBVVSTET-IEBWSBKVSA-N 2 1 331.504 3.010 20 0 EGADMP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000878167715 1299792631 /nfs/dbraw/zinc/79/26/31/1299792631.db2.gz YRTZXLNZBDTFIJ-HKUYNNGSSA-N 2 1 331.504 3.010 20 0 EGADMP COc1ccccc1-c1nc(C[NH+]2CCC(n3ccnc3)CC2)co1 ZINC000878173143 1299795747 /nfs/dbraw/zinc/79/57/47/1299795747.db2.gz SVABJCXSBGEWMA-UHFFFAOYSA-N 2 1 338.411 3.384 20 0 EGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CS1 ZINC000754124913 1300091722 /nfs/dbraw/zinc/09/17/22/1300091722.db2.gz UNEIDOFBVCHOSW-IKGGRYGDSA-N 2 1 326.550 3.140 20 0 EGADMP Cc1cccc(C(=O)NC2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000879351090 1300497427 /nfs/dbraw/zinc/49/74/27/1300497427.db2.gz ZLXXUWZBODQSPO-UHFFFAOYSA-N 2 1 343.515 3.065 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](CCc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000879579355 1300614405 /nfs/dbraw/zinc/61/44/05/1300614405.db2.gz ZQACLXHKOJLTSV-HOCLYGCPSA-N 2 1 328.378 3.154 20 0 EGADMP C[N@H+]1CC[C@H]2C[NH+](CCc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000879579355 1300614413 /nfs/dbraw/zinc/61/44/13/1300614413.db2.gz ZQACLXHKOJLTSV-HOCLYGCPSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@H]2C[N@H+](CCc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000879579355 1300614422 /nfs/dbraw/zinc/61/44/22/1300614422.db2.gz ZQACLXHKOJLTSV-HOCLYGCPSA-N 2 1 328.378 3.154 20 0 EGADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000879579355 1300614429 /nfs/dbraw/zinc/61/44/29/1300614429.db2.gz ZQACLXHKOJLTSV-HOCLYGCPSA-N 2 1 328.378 3.154 20 0 EGADMP COc1c(C)cnc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1C ZINC000757903691 1300755019 /nfs/dbraw/zinc/75/50/19/1300755019.db2.gz ZAUJBNPZOYISKC-UHFFFAOYSA-N 2 1 327.472 3.401 20 0 EGADMP COc1c(C)c[nH+]c(CN(C)Cc2ccc(C[NH+](C)C)cc2)c1C ZINC000757903691 1300755039 /nfs/dbraw/zinc/75/50/39/1300755039.db2.gz ZAUJBNPZOYISKC-UHFFFAOYSA-N 2 1 327.472 3.401 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](c2ccccc2)C2CCOCC2)CCCO1 ZINC000762646610 1301721268 /nfs/dbraw/zinc/72/12/68/1301721268.db2.gz AMUDCMIRQGHVSP-WIYYLYMNSA-N 2 1 346.515 3.245 20 0 EGADMP CN(CCCC[NH+]1CCCCC1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000882624918 1302038407 /nfs/dbraw/zinc/03/84/07/1302038407.db2.gz VCMFMIUYRWUIFU-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000764805610 1302139429 /nfs/dbraw/zinc/13/94/29/1302139429.db2.gz GOYNTCPDWHVVKA-UHFFFAOYSA-N 2 1 332.536 3.041 20 0 EGADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC000765972588 1302359070 /nfs/dbraw/zinc/35/90/70/1302359070.db2.gz BETWCLYGDKLJKM-PZJWPPBQSA-N 2 1 344.499 3.306 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000766974648 1302555007 /nfs/dbraw/zinc/55/50/07/1302555007.db2.gz OBAOVPRNKGGGML-HNNXBMFYSA-N 2 1 337.335 3.251 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]([NH3+])CC1CC1)C1CCCCC1 ZINC000884198571 1302769678 /nfs/dbraw/zinc/76/96/78/1302769678.db2.gz AKFFHCAAIIFPGS-HXUWFJFHSA-N 2 1 343.515 3.195 20 0 EGADMP C[NH+](C[C@H]1CCCOC1)[C@H]1CC[C@H]([N@@H+](C)C[C@H]2CCCOC2)CC1 ZINC000886392093 1303455204 /nfs/dbraw/zinc/45/52/04/1303455204.db2.gz UJXZYFUKEQUDJO-UAFMIMERSA-N 2 1 338.536 3.014 20 0 EGADMP CC1([NH+]2CCCC2)CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000886526280 1303486855 /nfs/dbraw/zinc/48/68/55/1303486855.db2.gz IYXXECRHBVENGM-VEDCXYSMSA-N 3 1 349.563 3.017 20 0 EGADMP C[C@H](COCc1ccccc1)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000886839698 1303617340 /nfs/dbraw/zinc/61/73/40/1303617340.db2.gz KMUNQOHBMUUMCM-MJUUVYJYSA-N 2 1 346.515 3.058 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)c2cc1C ZINC000886874064 1303620843 /nfs/dbraw/zinc/62/08/43/1303620843.db2.gz FQOHINSFHUMQMH-OAQYLSRUSA-N 2 1 340.467 3.375 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)c2cc1C ZINC000886874064 1303620847 /nfs/dbraw/zinc/62/08/47/1303620847.db2.gz FQOHINSFHUMQMH-OAQYLSRUSA-N 2 1 340.467 3.375 20 0 EGADMP C[C@H]1C[C@@H](Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000776856215 1304212373 /nfs/dbraw/zinc/21/23/73/1304212373.db2.gz ONOTTWJWGHIGOY-WMZOPIPTSA-N 2 1 330.520 3.112 20 0 EGADMP O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccco1 ZINC000779439569 1304572499 /nfs/dbraw/zinc/57/24/99/1304572499.db2.gz NXLSLBWBEVSRCY-FCGDIQPGSA-N 2 1 326.440 3.098 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccco1 ZINC000781421367 1304825548 /nfs/dbraw/zinc/82/55/48/1304825548.db2.gz QDDWNPNKHYJOCT-MTQWCTHYSA-N 2 1 340.467 3.203 20 0 EGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@@H](O)c2c(F)cccc2Cl)CC1 ZINC000783573767 1305110417 /nfs/dbraw/zinc/11/04/17/1305110417.db2.gz OQWRKWFAMJOVJW-YVEFUNNKSA-N 2 1 328.859 3.363 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc1 ZINC000893021655 1305661792 /nfs/dbraw/zinc/66/17/92/1305661792.db2.gz VWGCOEGGPVPCOT-KBXCAEBGSA-N 2 1 331.485 3.324 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc1 ZINC000893021655 1305661797 /nfs/dbraw/zinc/66/17/97/1305661797.db2.gz VWGCOEGGPVPCOT-KBXCAEBGSA-N 2 1 331.485 3.324 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc1 ZINC000893021658 1305661952 /nfs/dbraw/zinc/66/19/52/1305661952.db2.gz VWGCOEGGPVPCOT-RDTXWAMCSA-N 2 1 331.485 3.324 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc1 ZINC000893021658 1305661955 /nfs/dbraw/zinc/66/19/55/1305661955.db2.gz VWGCOEGGPVPCOT-RDTXWAMCSA-N 2 1 331.485 3.324 20 0 EGADMP CCn1cc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC000893102620 1305708098 /nfs/dbraw/zinc/70/80/98/1305708098.db2.gz AOZGNKCPLMTJBY-IRXDYDNUSA-N 2 1 340.515 3.458 20 0 EGADMP C[NH+]1CCC(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC000788484714 1305952522 /nfs/dbraw/zinc/95/25/22/1305952522.db2.gz GCOGJKDCSXGUKV-QGZVFWFLSA-N 2 1 340.414 3.003 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC000788484714 1305952530 /nfs/dbraw/zinc/95/25/30/1305952530.db2.gz GCOGJKDCSXGUKV-QGZVFWFLSA-N 2 1 340.414 3.003 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788575948 1305974175 /nfs/dbraw/zinc/97/41/75/1305974175.db2.gz DVEWELARHZCZPU-VYDRJRHOSA-N 2 1 340.920 3.346 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788575948 1305974179 /nfs/dbraw/zinc/97/41/79/1305974179.db2.gz DVEWELARHZCZPU-VYDRJRHOSA-N 2 1 340.920 3.346 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000797111358 1310142980 /nfs/dbraw/zinc/14/29/80/1310142980.db2.gz BWMZWAMYNIWJCC-IXDOHACOSA-N 2 1 339.524 3.144 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000797111358 1310142986 /nfs/dbraw/zinc/14/29/86/1310142986.db2.gz BWMZWAMYNIWJCC-IXDOHACOSA-N 2 1 339.524 3.144 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCOC23CCOCC3)cc1 ZINC000898114163 1310596945 /nfs/dbraw/zinc/59/69/45/1310596945.db2.gz ADBDZWJAFWFLJB-KXBFYZLASA-N 2 1 341.455 3.169 20 0 EGADMP c1cncc([C@@H]2CCC[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)c1 ZINC000800239539 1310710116 /nfs/dbraw/zinc/71/01/16/1310710116.db2.gz KAYWSBKZSYDBPK-JRGCBEDISA-N 2 1 343.515 3.341 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023761460 1319905279 /nfs/dbraw/zinc/90/52/79/1319905279.db2.gz AHWOSDGCESYRHN-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001023761460 1319905287 /nfs/dbraw/zinc/90/52/87/1319905287.db2.gz AHWOSDGCESYRHN-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001023761460 1319905296 /nfs/dbraw/zinc/90/52/96/1319905296.db2.gz AHWOSDGCESYRHN-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000839181463 1320887591 /nfs/dbraw/zinc/88/75/91/1320887591.db2.gz IRBQIHWIXQDFCQ-QGZVFWFLSA-N 2 1 346.906 3.406 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001018968209 1316989055 /nfs/dbraw/zinc/98/90/55/1316989055.db2.gz XYAVSRHVLQZVTA-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001019076293 1317035929 /nfs/dbraw/zinc/03/59/29/1317035929.db2.gz UQUBDARGCLGDKL-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001019259605 1317132203 /nfs/dbraw/zinc/13/22/03/1317132203.db2.gz SKIMRMYMEIKXPE-HBFSDRIKSA-N 2 1 343.515 3.039 20 0 EGADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900013544 1317217762 /nfs/dbraw/zinc/21/77/62/1317217762.db2.gz KPMQIYZARIRWKS-BRWVUGGUSA-N 2 1 347.528 3.018 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C1C[NH+](CCCC2CCCC2)C1 ZINC000957424341 1317349233 /nfs/dbraw/zinc/34/92/33/1317349233.db2.gz OYLAIYOODWXMKB-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@H+]1CC)C1C[NH+](CCCC2CCCC2)C1 ZINC000957424341 1317349243 /nfs/dbraw/zinc/34/92/43/1317349243.db2.gz OYLAIYOODWXMKB-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1)c1ccccc1 ZINC001019825861 1317440385 /nfs/dbraw/zinc/44/03/85/1317440385.db2.gz RBRQYAPFJDAYEK-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC2(CC1)CC[NH+](C(C)C)CC2 ZINC000957559141 1317455797 /nfs/dbraw/zinc/45/57/97/1317455797.db2.gz DAUFLZBDOWCJRZ-IBGZPJMESA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000957569168 1317467697 /nfs/dbraw/zinc/46/76/97/1317467697.db2.gz YJNHSNFMPDFMHS-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CCNc1ccccc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000902040800 1317511937 /nfs/dbraw/zinc/51/19/37/1317511937.db2.gz CZRRKMQGBCJSQN-UHFFFAOYSA-N 2 1 339.483 3.240 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)CC1 ZINC000957647950 1317520003 /nfs/dbraw/zinc/52/00/03/1317520003.db2.gz XRZSHVPYDMZFSC-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CCCCC[NH2+]2)C3)cc1 ZINC000902482757 1317582487 /nfs/dbraw/zinc/58/24/87/1317582487.db2.gz NKAYWTYCEUSEIE-MXEMCNAFSA-N 2 1 327.516 3.304 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001020237827 1317604283 /nfs/dbraw/zinc/60/42/83/1317604283.db2.gz DXBJQOPWYQLVHZ-VAMGGRTRSA-N 2 1 347.547 3.092 20 0 EGADMP Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)cs1 ZINC001020239096 1317604328 /nfs/dbraw/zinc/60/43/28/1317604328.db2.gz NTUPHMXPZVMFHM-BZSNNMDCSA-N 2 1 349.544 3.056 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1)C(C)C ZINC000957760075 1317627630 /nfs/dbraw/zinc/62/76/30/1317627630.db2.gz NTFNBGTUQJNNTD-IBGZPJMESA-N 2 1 337.552 3.218 20 0 EGADMP CC[NH+](CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1)C(C)C ZINC000957760075 1317627633 /nfs/dbraw/zinc/62/76/33/1317627633.db2.gz NTFNBGTUQJNNTD-IBGZPJMESA-N 2 1 337.552 3.218 20 0 EGADMP CC[NH+](CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1)C(C)C ZINC000957760075 1317627638 /nfs/dbraw/zinc/62/76/38/1317627638.db2.gz NTFNBGTUQJNNTD-IBGZPJMESA-N 2 1 337.552 3.218 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC000957763284 1317629781 /nfs/dbraw/zinc/62/97/81/1317629781.db2.gz MAMARCVHFNUZFL-KDURUIRLSA-N 2 1 349.563 3.364 20 0 EGADMP CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1OC ZINC000903064949 1317646259 /nfs/dbraw/zinc/64/62/59/1317646259.db2.gz FGYPLYDWBKBCQP-ZNXRZULTSA-N 2 1 330.472 3.341 20 0 EGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)N1CCc2ccccc21 ZINC000903080958 1317649261 /nfs/dbraw/zinc/64/92/61/1317649261.db2.gz KMOJFUVFHKJWFL-XIHRNRATSA-N 2 1 325.500 3.185 20 0 EGADMP Cc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[NH+]2CCCC2)o1 ZINC000903086587 1317650936 /nfs/dbraw/zinc/65/09/36/1317650936.db2.gz PVQAODIEZZPMJG-QZNYNHHHSA-N 2 1 343.515 3.472 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903091449 1317651022 /nfs/dbraw/zinc/65/10/22/1317651022.db2.gz UHEUVHCWWIEOHG-JKSUJKDBSA-N 2 1 339.524 3.142 20 0 EGADMP c1cnn(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c2ccccc2)c1 ZINC000903100917 1317653063 /nfs/dbraw/zinc/65/30/63/1317653063.db2.gz WVNRLLMWBOVCIZ-KRIYCRJKSA-N 2 1 336.483 3.372 20 0 EGADMP c1cnn(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c2ccccc2)c1 ZINC000903100917 1317653070 /nfs/dbraw/zinc/65/30/70/1317653070.db2.gz WVNRLLMWBOVCIZ-KRIYCRJKSA-N 2 1 336.483 3.372 20 0 EGADMP COc1cccc(OCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903122179 1317658448 /nfs/dbraw/zinc/65/84/48/1317658448.db2.gz WRPLTQKLOZXBGD-ZNXRZULTSA-N 2 1 330.472 3.212 20 0 EGADMP C[C@@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(Cl)c1 ZINC000903153228 1317664481 /nfs/dbraw/zinc/66/44/81/1317664481.db2.gz RBEVHTOJRJKWNG-ZCTYVAAUSA-N 2 1 334.891 3.295 20 0 EGADMP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H](O)c1ccccc1 ZINC000903159420 1317664934 /nfs/dbraw/zinc/66/49/34/1317664934.db2.gz OOPJDQQMDOXEAW-OOHWTWPMSA-N 2 1 328.500 3.492 20 0 EGADMP C[C@@H](O)[C@@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccccc1 ZINC000903160410 1317665554 /nfs/dbraw/zinc/66/55/54/1317665554.db2.gz LRBPYIYCOIRPFM-KUIDOIOASA-N 2 1 342.527 3.364 20 0 EGADMP COc1ccc([C@H]2CCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1F ZINC000903767067 1317730515 /nfs/dbraw/zinc/73/05/15/1317730515.db2.gz SWGJTGBHRGJKCC-SJLPKXTDSA-N 2 1 348.462 3.130 20 0 EGADMP CC1(C)C[C@@H](c2ccccc2)C[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903788728 1317733862 /nfs/dbraw/zinc/73/38/62/1317733862.db2.gz PEXKRZBRYUMBCH-RTBURBONSA-N 2 1 328.500 3.413 20 0 EGADMP C[C@]1(Cc2cccs2)CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903789221 1317734426 /nfs/dbraw/zinc/73/44/26/1317734426.db2.gz UWFKJCSLSMMODX-SJLPKXTDSA-N 2 1 334.529 3.304 20 0 EGADMP Fc1ccc([C@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)c(Cl)c1 ZINC000903915076 1317747886 /nfs/dbraw/zinc/74/78/86/1317747886.db2.gz XYRFALJGBGDRGW-SDJXIENJSA-N 2 1 338.854 3.383 20 0 EGADMP Fc1ccc([C@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)c(Cl)c1 ZINC000903915076 1317747888 /nfs/dbraw/zinc/74/78/88/1317747888.db2.gz XYRFALJGBGDRGW-SDJXIENJSA-N 2 1 338.854 3.383 20 0 EGADMP COc1ccc(-c2ccc(C[NH2+]C[C@@H]([NH3+])CC(F)F)s2)cc1 ZINC000903925297 1317750491 /nfs/dbraw/zinc/75/04/91/1317750491.db2.gz DMRXFBXFEBSVPD-LBPRGKRZSA-N 2 1 326.412 3.496 20 0 EGADMP Fc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c(C(F)(F)F)c1 ZINC000903955644 1317756764 /nfs/dbraw/zinc/75/67/64/1317756764.db2.gz YBKOHVXAMPHISC-JTQLQIEISA-N 2 1 326.284 3.179 20 0 EGADMP C[N@H+]1CCCC[C@H](CNCc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000858245830 1328721237 /nfs/dbraw/zinc/72/12/37/1328721237.db2.gz PEXGRCPNARAAMD-GFCCVEGCSA-N 2 1 341.286 3.463 20 0 EGADMP CCCN(CC[NH+]1CCCCCC1)C(=O)CCCn1cc[nH+]c1C ZINC000809194910 1317782255 /nfs/dbraw/zinc/78/22/55/1317782255.db2.gz FUKLAAWSGZLQFZ-UHFFFAOYSA-N 2 1 334.508 3.086 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccccc2C[NH3+])C1 ZINC000904658356 1317877134 /nfs/dbraw/zinc/87/71/34/1317877134.db2.gz CXPMCGWKRXFXRU-HNNXBMFYSA-N 2 1 332.492 3.167 20 0 EGADMP Cn1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(-c2cccnc2)n1 ZINC000809738822 1317884501 /nfs/dbraw/zinc/88/45/01/1317884501.db2.gz LQYIQQNNGXLOIZ-UHFFFAOYSA-N 2 1 349.482 3.176 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001020719695 1317885895 /nfs/dbraw/zinc/88/58/95/1317885895.db2.gz PEWJCOVMZPRDHW-LWYYNNOASA-N 2 1 345.531 3.131 20 0 EGADMP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000810245083 1317985214 /nfs/dbraw/zinc/98/52/14/1317985214.db2.gz QFCFXJXXQSPRLC-KKUMJFAQSA-N 2 1 334.451 3.062 20 0 EGADMP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000810245083 1317985217 /nfs/dbraw/zinc/98/52/17/1317985217.db2.gz QFCFXJXXQSPRLC-KKUMJFAQSA-N 2 1 334.451 3.062 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001021090207 1318078574 /nfs/dbraw/zinc/07/85/74/1318078574.db2.gz FSLUEOCMRDJLLZ-YOQCTACHSA-N 2 1 347.547 3.066 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)C)C1 ZINC001021357755 1318209214 /nfs/dbraw/zinc/20/92/14/1318209214.db2.gz PLMJMTUXVBVBDS-UMQXSMKFSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)C)C1 ZINC001021357755 1318209223 /nfs/dbraw/zinc/20/92/23/1318209223.db2.gz PLMJMTUXVBVBDS-UMQXSMKFSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)C)C1 ZINC001021357755 1318209231 /nfs/dbraw/zinc/20/92/31/1318209231.db2.gz PLMJMTUXVBVBDS-UMQXSMKFSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCCC2CCC2)C1 ZINC001021380787 1318222984 /nfs/dbraw/zinc/22/29/84/1318222984.db2.gz VQAQVRGDVSINKT-VOBGVNJCSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC2CCC2)C1 ZINC001021380787 1318222992 /nfs/dbraw/zinc/22/29/92/1318222992.db2.gz VQAQVRGDVSINKT-VOBGVNJCSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC2CCC2)C1 ZINC001021380787 1318222997 /nfs/dbraw/zinc/22/29/97/1318222997.db2.gz VQAQVRGDVSINKT-VOBGVNJCSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccsc1 ZINC000960630637 1318755661 /nfs/dbraw/zinc/75/56/61/1318755661.db2.gz XKGFUGNXQATEEX-MSOLQXFVSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccsc1 ZINC000960630637 1318755665 /nfs/dbraw/zinc/75/56/65/1318755665.db2.gz XKGFUGNXQATEEX-MSOLQXFVSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccsc1 ZINC000960630637 1318755671 /nfs/dbraw/zinc/75/56/71/1318755671.db2.gz XKGFUGNXQATEEX-MSOLQXFVSA-N 2 1 349.544 3.044 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC000960662472 1318780828 /nfs/dbraw/zinc/78/08/28/1318780828.db2.gz IHLYVXMNYAEDLT-KRWDZBQOSA-N 2 1 349.544 3.146 20 0 EGADMP CC1CCC(C[N@@H+](C)C[C@H]2CCCN2C(=O)C[NH+](C)C2CCC2)CC1 ZINC000960666694 1318784552 /nfs/dbraw/zinc/78/45/52/1318784552.db2.gz DVRLKZYEBHCJCS-AFMYVXGZSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CCC(C[NH+](C)C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000960666694 1318784558 /nfs/dbraw/zinc/78/45/58/1318784558.db2.gz DVRLKZYEBHCJCS-AFMYVXGZSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CCC(C[NH+](C)C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000960666694 1318784561 /nfs/dbraw/zinc/78/45/61/1318784561.db2.gz DVRLKZYEBHCJCS-AFMYVXGZSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001022166442 1318825112 /nfs/dbraw/zinc/82/51/12/1318825112.db2.gz VYJMSYVKZPBKSI-PNYFIKQUSA-N 2 1 343.515 3.167 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001022195619 1318837599 /nfs/dbraw/zinc/83/75/99/1318837599.db2.gz DXBJQOPWYQLVHZ-AQNXPRMDSA-N 2 1 347.547 3.092 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001022350797 1318902664 /nfs/dbraw/zinc/90/26/64/1318902664.db2.gz PRLXMNTZRXQFNN-ZCFHBRKKSA-N 2 1 349.563 3.170 20 0 EGADMP O[C@@H]1CCC[NH+](CCCCCCCC[N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC000815297171 1318950299 /nfs/dbraw/zinc/95/02/99/1318950299.db2.gz RQVDMEYTWALOLJ-WOJBJXKFSA-N 2 1 340.552 3.021 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCCC1 ZINC000960865319 1319009912 /nfs/dbraw/zinc/00/99/12/1319009912.db2.gz PUMIBBMILMWMPY-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCCC1 ZINC000960865319 1319009924 /nfs/dbraw/zinc/00/99/24/1319009924.db2.gz PUMIBBMILMWMPY-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961231089 1319361209 /nfs/dbraw/zinc/36/12/09/1319361209.db2.gz PLRNOEAFNZWLHD-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP O=C1CCCN1c1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000817897194 1319454763 /nfs/dbraw/zinc/45/47/63/1319454763.db2.gz GVKYITWDVHOSFD-TZIWHRDSSA-N 2 1 349.478 3.396 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000817906055 1319457257 /nfs/dbraw/zinc/45/72/57/1319457257.db2.gz SKDRIOJHGNAIIX-VUCTXSBTSA-N 2 1 336.838 3.061 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1Cn1cccn1 ZINC000817938160 1319466668 /nfs/dbraw/zinc/46/66/68/1319466668.db2.gz FUOAPVNLXYIVMS-MRXNPFEDSA-N 2 1 342.487 3.252 20 0 EGADMP COc1ccc([C@@H](C)NC[C@H]2CCC[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000817946170 1319471483 /nfs/dbraw/zinc/47/14/83/1319471483.db2.gz SYYAFYOKUDTPAE-MSOLQXFVSA-N 2 1 345.531 3.331 20 0 EGADMP CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817959836 1319478090 /nfs/dbraw/zinc/47/80/90/1319478090.db2.gz VWJUFXYOLARAED-OWCLPIDISA-N 2 1 327.513 3.128 20 0 EGADMP CCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023370682 1319482449 /nfs/dbraw/zinc/48/24/49/1319482449.db2.gz MUUBOQIWKHFORG-RTBURBONSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023370682 1319482454 /nfs/dbraw/zinc/48/24/54/1319482454.db2.gz MUUBOQIWKHFORG-RTBURBONSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023370682 1319482459 /nfs/dbraw/zinc/48/24/59/1319482459.db2.gz MUUBOQIWKHFORG-RTBURBONSA-N 2 1 349.563 3.269 20 0 EGADMP COc1cc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)ccc1SC(F)F ZINC000817981849 1319485867 /nfs/dbraw/zinc/48/58/67/1319485867.db2.gz VVDYFHBNYRDRLI-DGCLKSJQSA-N 2 1 346.443 3.039 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001023404017 1319511417 /nfs/dbraw/zinc/51/14/17/1319511417.db2.gz PBDNPFIBOBFIJU-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001023404017 1319511422 /nfs/dbraw/zinc/51/14/22/1319511422.db2.gz PBDNPFIBOBFIJU-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001023404017 1319511428 /nfs/dbraw/zinc/51/14/28/1319511428.db2.gz PBDNPFIBOBFIJU-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961411453 1319567015 /nfs/dbraw/zinc/56/70/15/1319567015.db2.gz NNKNKLKLGKHXAI-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000961411453 1319567022 /nfs/dbraw/zinc/56/70/22/1319567022.db2.gz NNKNKLKLGKHXAI-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000961411453 1319567031 /nfs/dbraw/zinc/56/70/31/1319567031.db2.gz NNKNKLKLGKHXAI-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000961419887 1319579196 /nfs/dbraw/zinc/57/91/96/1319579196.db2.gz HUCSTSLMRXXBKG-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000818985891 1319605865 /nfs/dbraw/zinc/60/58/65/1319605865.db2.gz ZIBFGGHSSCMZHJ-GUYCJALGSA-N 2 1 328.859 3.223 20 0 EGADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1F ZINC000818988284 1319607640 /nfs/dbraw/zinc/60/76/40/1319607640.db2.gz NUJNGXPVYPVMRG-BEFAXECRSA-N 2 1 348.487 3.422 20 0 EGADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1F ZINC000818988284 1319607649 /nfs/dbraw/zinc/60/76/49/1319607649.db2.gz NUJNGXPVYPVMRG-BEFAXECRSA-N 2 1 348.487 3.422 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccccc2)[C@@H]1c1cccs1 ZINC000819100842 1319635149 /nfs/dbraw/zinc/63/51/49/1319635149.db2.gz JIEHNXQWOJXMEG-ZHALLVOQSA-N 2 1 330.497 3.454 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccccc2)[C@@H]1c1cccs1 ZINC000819100842 1319635160 /nfs/dbraw/zinc/63/51/60/1319635160.db2.gz JIEHNXQWOJXMEG-ZHALLVOQSA-N 2 1 330.497 3.454 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH+](CC3=CCCCC3)C2)CC[N@H+]1C ZINC001023555547 1319666166 /nfs/dbraw/zinc/66/61/66/1319666166.db2.gz WWVKYBCJAJTWMU-SXLOBPIMSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@H+](CC3=CCCCC3)C2)CC[NH+]1C ZINC001023555547 1319666172 /nfs/dbraw/zinc/66/61/72/1319666172.db2.gz WWVKYBCJAJTWMU-SXLOBPIMSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CC3=CCCCC3)C2)CC[NH+]1C ZINC001023555547 1319666174 /nfs/dbraw/zinc/66/61/74/1319666174.db2.gz WWVKYBCJAJTWMU-SXLOBPIMSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000819366540 1319710506 /nfs/dbraw/zinc/71/05/06/1319710506.db2.gz RREVZLFMIQRTMA-BBRMVZONSA-N 2 1 330.394 3.060 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC000962024728 1319803203 /nfs/dbraw/zinc/80/32/03/1319803203.db2.gz REYIUGVYQCKMNL-SOAGJPPSSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761539 1319909338 /nfs/dbraw/zinc/90/93/38/1319909338.db2.gz BZRBOZJMKQBRSP-IBGZPJMESA-N 2 1 345.531 3.236 20 0 EGADMP Cn1cncc1CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000820840747 1319966497 /nfs/dbraw/zinc/96/64/97/1319966497.db2.gz BNQUZLNMBIJVPJ-IHWFROFDSA-N 2 1 338.499 3.138 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822598462 1320102910 /nfs/dbraw/zinc/10/29/10/1320102910.db2.gz RGLKGHKDTBVFQI-OWCLPIDISA-N 2 1 348.362 3.061 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822598462 1320102906 /nfs/dbraw/zinc/10/29/06/1320102906.db2.gz RGLKGHKDTBVFQI-OWCLPIDISA-N 2 1 348.362 3.061 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C)NC(=O)OC(C)(C)C ZINC000825331312 1320328106 /nfs/dbraw/zinc/32/81/06/1320328106.db2.gz CXRCDUIQBQNPTM-GJZGRUSLSA-N 2 1 327.513 3.142 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CC[N@H+]1CCCC1(C)C)NC(=O)OC(C)(C)C ZINC000825331312 1320328111 /nfs/dbraw/zinc/32/81/11/1320328111.db2.gz CXRCDUIQBQNPTM-GJZGRUSLSA-N 2 1 327.513 3.142 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)N2CCCC2)CC1)CC(C)C ZINC000838912749 1320833829 /nfs/dbraw/zinc/83/38/29/1320833829.db2.gz NBVXPQBXRNXPAY-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)nc1 ZINC000840809725 1321153385 /nfs/dbraw/zinc/15/33/85/1321153385.db2.gz NDRQZHQCENMWFF-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(Br)ncc1F ZINC000840810379 1321154270 /nfs/dbraw/zinc/15/42/70/1321154270.db2.gz SUBQJEPKFUOMLS-NEPJUHHUSA-N 2 1 344.272 3.366 20 0 EGADMP Cc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc(C)c1OCc1ccccn1 ZINC000841030936 1321204124 /nfs/dbraw/zinc/20/41/24/1321204124.db2.gz PRTHPVZGFMNECK-LJQANCHMSA-N 2 1 327.472 3.350 20 0 EGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2cccnc2Cl)cc1 ZINC000841073675 1321213877 /nfs/dbraw/zinc/21/38/77/1321213877.db2.gz OQTGJJKGBROMEG-WBVHZDCISA-N 2 1 333.838 3.357 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc(=O)oc2c1 ZINC000842474053 1321393393 /nfs/dbraw/zinc/39/33/93/1321393393.db2.gz CFIXVYMVBHVEAE-YJBOKZPZSA-N 2 1 326.440 3.065 20 0 EGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000842477982 1321393946 /nfs/dbraw/zinc/39/39/46/1321393946.db2.gz CZIIYJJBWYOAPF-XJKSGUPXSA-N 2 1 344.286 3.107 20 0 EGADMP C[N@@H+](Cc1ccc(OCc2cccnc2)cc1)C1CCC([NH3+])CC1 ZINC000843054733 1321463395 /nfs/dbraw/zinc/46/33/95/1321463395.db2.gz DSACVKIXKBGRJS-UHFFFAOYSA-N 2 1 325.456 3.362 20 0 EGADMP CCc1ccc2c(C[N@H+](C3CC3)C3CC[NH2+]CC3)cc(=O)oc2c1 ZINC000843347996 1321503372 /nfs/dbraw/zinc/50/33/72/1321503372.db2.gz ZYECKMBHFVSHFF-UHFFFAOYSA-N 2 1 326.440 3.072 20 0 EGADMP CCc1ccc2c(C[N@@H+](C3CC3)C3CC[NH2+]CC3)cc(=O)oc2c1 ZINC000843347996 1321503376 /nfs/dbraw/zinc/50/33/76/1321503376.db2.gz ZYECKMBHFVSHFF-UHFFFAOYSA-N 2 1 326.440 3.072 20 0 EGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354676 1321505163 /nfs/dbraw/zinc/50/51/63/1321505163.db2.gz BRKJPMGHZOIDLP-NVPAJSRCSA-N 2 1 337.895 3.061 20 0 EGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOc1ccc(C(F)(F)F)cc1 ZINC000843361011 1321506227 /nfs/dbraw/zinc/50/62/27/1321506227.db2.gz PXVQASCSMZFQIM-GOOCMWNKSA-N 2 1 328.378 3.428 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000846859053 1321818223 /nfs/dbraw/zinc/81/82/23/1321818223.db2.gz SCWQVNUHYYMKIG-QAPCUYQASA-N 2 1 336.439 3.223 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000846859053 1321818227 /nfs/dbraw/zinc/81/82/27/1321818227.db2.gz SCWQVNUHYYMKIG-QAPCUYQASA-N 2 1 336.439 3.223 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000918748408 1321991480 /nfs/dbraw/zinc/99/14/80/1321991480.db2.gz YNMJOIHTDJPCTQ-MRXNPFEDSA-N 2 1 330.394 3.203 20 0 EGADMP COC(=O)/C=C/c1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000848894845 1322033832 /nfs/dbraw/zinc/03/38/32/1322033832.db2.gz PQTNFFGBUGIRHN-OFAQMXQXSA-N 2 1 334.460 3.210 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(F)(F)c1ccc(Cl)cc1 ZINC000849051056 1322059147 /nfs/dbraw/zinc/05/91/47/1322059147.db2.gz UKUYKLPQKPYTHR-CQSZACIVSA-N 2 1 344.837 3.030 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])N3CCCCC3)cc2)C1 ZINC000849058476 1322062339 /nfs/dbraw/zinc/06/23/39/1322062339.db2.gz GXLFWZWAHAXSAI-KRWDZBQOSA-N 2 1 328.504 3.429 20 0 EGADMP Cc1ccc(CNC(=[NH2+])NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000849071256 1322066543 /nfs/dbraw/zinc/06/65/43/1322066543.db2.gz ZPCYQKKVNDDTRI-KRWDZBQOSA-N 2 1 336.483 3.056 20 0 EGADMP Cc1ccc(CNC(=[NH2+])NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000849071256 1322066552 /nfs/dbraw/zinc/06/65/52/1322066552.db2.gz ZPCYQKKVNDDTRI-KRWDZBQOSA-N 2 1 336.483 3.056 20 0 EGADMP [NH2+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)Nc1cccc(OC(F)(F)F)c1 ZINC000849083507 1322071165 /nfs/dbraw/zinc/07/11/65/1322071165.db2.gz VUVFZPRCDBOSJW-LLVKDONJSA-N 2 1 342.365 3.006 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849084068 1322071962 /nfs/dbraw/zinc/07/19/62/1322071962.db2.gz VYDMZSFZBLUKOI-LLVKDONJSA-N 2 1 332.370 3.252 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)c2cccc(F)c2)cc1F ZINC000920426164 1322175809 /nfs/dbraw/zinc/17/58/09/1322175809.db2.gz XYTWTRDEIQDWFT-IBGZPJMESA-N 2 1 343.377 3.282 20 0 EGADMP CCOC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000850538498 1322263225 /nfs/dbraw/zinc/26/32/25/1322263225.db2.gz GNFYKRKJVRUXRM-OFLPRAFFSA-N 2 1 337.508 3.040 20 0 EGADMP CCOC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000850538498 1322263228 /nfs/dbraw/zinc/26/32/28/1322263228.db2.gz GNFYKRKJVRUXRM-OFLPRAFFSA-N 2 1 337.508 3.040 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000921535973 1322343731 /nfs/dbraw/zinc/34/37/31/1322343731.db2.gz MPDYRTSDSFQGQV-QGZVFWFLSA-N 2 1 331.504 3.133 20 0 EGADMP c1nn(C2CCC2)cc1CNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000921671742 1322376552 /nfs/dbraw/zinc/37/65/52/1322376552.db2.gz QPTBMWYOAAXGPS-LJQANCHMSA-N 2 1 338.499 3.262 20 0 EGADMP c1nn(C2CCC2)cc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000921671742 1322376557 /nfs/dbraw/zinc/37/65/57/1322376557.db2.gz QPTBMWYOAAXGPS-LJQANCHMSA-N 2 1 338.499 3.262 20 0 EGADMP c1nn(C2CCC2)cc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000921671742 1322376559 /nfs/dbraw/zinc/37/65/59/1322376559.db2.gz QPTBMWYOAAXGPS-LJQANCHMSA-N 2 1 338.499 3.262 20 0 EGADMP CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000921979534 1322434378 /nfs/dbraw/zinc/43/43/78/1322434378.db2.gz FYVTXIFIMSTXHI-HSALFYBXSA-N 2 1 348.556 3.407 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)C2 ZINC000922387912 1322515152 /nfs/dbraw/zinc/51/51/52/1322515152.db2.gz MOKKFCPOEKIWNJ-BDXSIMOUSA-N 2 1 340.870 3.048 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1coc3ccccc13)C2 ZINC000922386634 1322515516 /nfs/dbraw/zinc/51/55/16/1322515516.db2.gz HLEDZIOBCKCVMD-JYBIWHBTSA-N 2 1 328.456 3.002 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)ccc1Cl ZINC000922389911 1322517057 /nfs/dbraw/zinc/51/70/57/1322517057.db2.gz YYDRFAGWXASQQM-MKXGPGLRSA-N 2 1 336.907 3.218 20 0 EGADMP CCC[N@@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000923326368 1322734468 /nfs/dbraw/zinc/73/44/68/1322734468.db2.gz GMKWQJCHBIPJTD-MRXNPFEDSA-N 2 1 344.421 3.073 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000923388682 1322744278 /nfs/dbraw/zinc/74/42/78/1322744278.db2.gz TUNVIRIYSHJIMN-XZJROXQQSA-N 2 1 329.271 3.088 20 0 EGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000923388682 1322744281 /nfs/dbraw/zinc/74/42/81/1322744281.db2.gz TUNVIRIYSHJIMN-XZJROXQQSA-N 2 1 329.271 3.088 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000923823162 1322818242 /nfs/dbraw/zinc/81/82/42/1322818242.db2.gz OAQPNRLPIISFGQ-KRWDZBQOSA-N 2 1 344.459 3.222 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)o2)C1 ZINC000931118513 1329054690 /nfs/dbraw/zinc/05/46/90/1329054690.db2.gz VICUVPQOCSQVRR-KRWDZBQOSA-N 2 1 347.503 3.116 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC3=CCCCC3)C2)CC[N@H+]1C ZINC001023995488 1323067966 /nfs/dbraw/zinc/06/79/66/1323067966.db2.gz NKZPZIZRHBTJHL-HSALFYBXSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccccc1OC ZINC000924642602 1323089298 /nfs/dbraw/zinc/08/92/98/1323089298.db2.gz AUTZWTGOXOLMKY-PHSGOXPASA-N 2 1 332.488 3.378 20 0 EGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccccc1OC ZINC000924642602 1323089304 /nfs/dbraw/zinc/08/93/04/1323089304.db2.gz AUTZWTGOXOLMKY-PHSGOXPASA-N 2 1 332.488 3.378 20 0 EGADMP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000924679576 1323109599 /nfs/dbraw/zinc/10/95/99/1323109599.db2.gz LDDIOLGRHLADKP-UWVAXJGDSA-N 2 1 343.515 3.065 20 0 EGADMP CON1CCC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000924681681 1323111838 /nfs/dbraw/zinc/11/18/38/1323111838.db2.gz ZWLGFZXMEUOIBZ-QGZVFWFLSA-N 2 1 331.504 3.034 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1ccccn1 ZINC000852019561 1323134199 /nfs/dbraw/zinc/13/41/99/1323134199.db2.gz ZQVVDGIHJSQVNC-VQTJNVASSA-N 2 1 339.483 3.005 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1ccccn1 ZINC000852019561 1323134205 /nfs/dbraw/zinc/13/42/05/1323134205.db2.gz ZQVVDGIHJSQVNC-VQTJNVASSA-N 2 1 339.483 3.005 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)c1cnnn1C ZINC000924731533 1323137338 /nfs/dbraw/zinc/13/73/38/1323137338.db2.gz VBDASNRNRIXRTA-MRXNPFEDSA-N 2 1 341.503 3.430 20 0 EGADMP Cc1cc(C[NH2+]C2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)cs1 ZINC000963158268 1323219643 /nfs/dbraw/zinc/21/96/43/1323219643.db2.gz WHTPQUUSZHBHEF-DAWZGUTISA-N 2 1 349.544 3.010 20 0 EGADMP CS[C@@H](CO)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925109362 1323286069 /nfs/dbraw/zinc/28/60/69/1323286069.db2.gz DMFDCSUMUDVTFG-PANBIXPWSA-N 2 1 348.556 3.274 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC1CCCCCC1 ZINC001024365953 1323338975 /nfs/dbraw/zinc/33/89/75/1323338975.db2.gz KXKICFMQUIFEMS-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCCCC1 ZINC001024365953 1323338980 /nfs/dbraw/zinc/33/89/80/1323338980.db2.gz KXKICFMQUIFEMS-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCCCC1 ZINC001024365953 1323338984 /nfs/dbraw/zinc/33/89/84/1323338984.db2.gz KXKICFMQUIFEMS-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001024365804 1323339042 /nfs/dbraw/zinc/33/90/42/1323339042.db2.gz HYXRFYMGIOZPEF-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCCC1 ZINC001024365804 1323339045 /nfs/dbraw/zinc/33/90/45/1323339045.db2.gz HYXRFYMGIOZPEF-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCCC1 ZINC001024365804 1323339053 /nfs/dbraw/zinc/33/90/53/1323339053.db2.gz HYXRFYMGIOZPEF-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024437665 1323398499 /nfs/dbraw/zinc/39/84/99/1323398499.db2.gz UWICMLCKCLKDLI-QZTJIDSGSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC001024437665 1323398502 /nfs/dbraw/zinc/39/85/02/1323398502.db2.gz UWICMLCKCLKDLI-QZTJIDSGSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccsc1 ZINC001024437665 1323398506 /nfs/dbraw/zinc/39/85/06/1323398506.db2.gz UWICMLCKCLKDLI-QZTJIDSGSA-N 2 1 349.544 3.092 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCC(C)(C)C)CC[N@H+]1C ZINC001024448178 1323407449 /nfs/dbraw/zinc/40/74/49/1323407449.db2.gz FBWAISFUSLDSSH-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCC(C)(C)C)CC[NH+]1C ZINC001024448178 1323407450 /nfs/dbraw/zinc/40/74/50/1323407450.db2.gz FBWAISFUSLDSSH-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CCC(C)(C)C)CC[NH+]1C ZINC001024448178 1323407454 /nfs/dbraw/zinc/40/74/54/1323407454.db2.gz FBWAISFUSLDSSH-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCCC2CCC2)CC[N@H+]1C ZINC001024448327 1323407776 /nfs/dbraw/zinc/40/77/76/1323407776.db2.gz JKUSHFJYLURRFR-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC2CCC2)CC[NH+]1C ZINC001024448327 1323407782 /nfs/dbraw/zinc/40/77/82/1323407782.db2.gz JKUSHFJYLURRFR-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCCC2CCC2)CC[NH+]1C ZINC001024448327 1323407786 /nfs/dbraw/zinc/40/77/86/1323407786.db2.gz JKUSHFJYLURRFR-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024469573 1323424323 /nfs/dbraw/zinc/42/43/23/1323424323.db2.gz TUPZPCLUVPDSEO-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC001024469573 1323424329 /nfs/dbraw/zinc/42/43/29/1323424329.db2.gz TUPZPCLUVPDSEO-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCC1CCC1 ZINC001024469573 1323424334 /nfs/dbraw/zinc/42/43/34/1323424334.db2.gz TUPZPCLUVPDSEO-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1cc(C[NH+]2CCCC[C@H]2CNC(=O)[C@@H]2CCCC[N@@H+]2C)cs1 ZINC001024513487 1323464125 /nfs/dbraw/zinc/46/41/25/1323464125.db2.gz QAWYCISGWHNLKC-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)[C@@H]2CCCC[NH+]2C)cs1 ZINC001024513487 1323464126 /nfs/dbraw/zinc/46/41/26/1323464126.db2.gz QAWYCISGWHNLKC-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)[C@@H]2CCCC[NH+]2C)cs1 ZINC001024513487 1323464128 /nfs/dbraw/zinc/46/41/28/1323464128.db2.gz QAWYCISGWHNLKC-ROUUACIJSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024617070 1323545052 /nfs/dbraw/zinc/54/50/52/1323545052.db2.gz AVJFPNVKAPLSED-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617070 1323545059 /nfs/dbraw/zinc/54/50/59/1323545059.db2.gz AVJFPNVKAPLSED-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617070 1323545065 /nfs/dbraw/zinc/54/50/65/1323545065.db2.gz AVJFPNVKAPLSED-OALUTQOASA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024737899 1323638347 /nfs/dbraw/zinc/63/83/47/1323638347.db2.gz PJTOSIBNJLDGRO-IBGZPJMESA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@H](F)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811310 1323714665 /nfs/dbraw/zinc/71/46/65/1323714665.db2.gz PPXLEWJAPPWCKP-RBUKOAKNSA-N 2 1 349.494 3.081 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccsc1 ZINC001024812710 1323716013 /nfs/dbraw/zinc/71/60/13/1323716013.db2.gz ROCXXCAWOAWYPS-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC001024812710 1323716017 /nfs/dbraw/zinc/71/60/17/1323716017.db2.gz ROCXXCAWOAWYPS-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccsc1 ZINC001024812710 1323716026 /nfs/dbraw/zinc/71/60/26/1323716026.db2.gz ROCXXCAWOAWYPS-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001024902148 1323772590 /nfs/dbraw/zinc/77/25/90/1323772590.db2.gz IYWCIZYLNYRMBW-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCC2)CC[N@H+]1C ZINC001024967723 1323804468 /nfs/dbraw/zinc/80/44/68/1323804468.db2.gz FYJLGNLQJQHRQE-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430440 1329115997 /nfs/dbraw/zinc/11/59/97/1329115997.db2.gz CHLOHEDDULNCFK-AEGPPILISA-N 2 1 346.862 3.335 20 0 EGADMP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430440 1329116000 /nfs/dbraw/zinc/11/60/00/1329116000.db2.gz CHLOHEDDULNCFK-AEGPPILISA-N 2 1 346.862 3.335 20 0 EGADMP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931430440 1329116005 /nfs/dbraw/zinc/11/60/05/1329116005.db2.gz CHLOHEDDULNCFK-AEGPPILISA-N 2 1 346.862 3.335 20 0 EGADMP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931430440 1329116006 /nfs/dbraw/zinc/11/60/06/1329116006.db2.gz CHLOHEDDULNCFK-AEGPPILISA-N 2 1 346.862 3.335 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001025084758 1323886300 /nfs/dbraw/zinc/88/63/00/1323886300.db2.gz GWCJDMGOEDQJGM-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001025168401 1323936955 /nfs/dbraw/zinc/93/69/55/1323936955.db2.gz BZXAJFGOVQIXOY-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258471 1324066165 /nfs/dbraw/zinc/06/61/65/1324066165.db2.gz GPLVNPSSRYWRQP-ZWKOTPCHSA-N 2 1 347.503 3.210 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1occc1C[NH+](C)C ZINC001025258471 1324066168 /nfs/dbraw/zinc/06/61/68/1324066168.db2.gz GPLVNPSSRYWRQP-ZWKOTPCHSA-N 2 1 347.503 3.210 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259052 1324069338 /nfs/dbraw/zinc/06/93/38/1324069338.db2.gz NDJDLUBJYGWOTI-MSOLQXFVSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279536 1324101651 /nfs/dbraw/zinc/10/16/51/1324101651.db2.gz DDUZLFDXFOTTQM-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293896 1324121687 /nfs/dbraw/zinc/12/16/87/1324121687.db2.gz GMOORCAAQBBHBI-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025484650 1324333512 /nfs/dbraw/zinc/33/35/12/1324333512.db2.gz HEPUJFNDIIDTIA-IRXDYDNUSA-N 2 1 342.487 3.211 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025485494 1324334798 /nfs/dbraw/zinc/33/47/98/1324334798.db2.gz NVUNJDMHYPZPIH-IRXDYDNUSA-N 2 1 340.471 3.131 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001026920644 1325084373 /nfs/dbraw/zinc/08/43/73/1325084373.db2.gz GBQZATRUOJVAMT-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CCS[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925225550 1325088225 /nfs/dbraw/zinc/08/82/25/1325088225.db2.gz HCCHBEATQFYGSN-FVAVCCDCSA-N 2 1 326.550 3.282 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001026932420 1325089425 /nfs/dbraw/zinc/08/94/25/1325089425.db2.gz YQXRYKHBKAXYKU-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001027017671 1325157650 /nfs/dbraw/zinc/15/76/50/1325157650.db2.gz ZJOSOESIDRBTPN-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP COCCOC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925470884 1325165019 /nfs/dbraw/zinc/16/50/19/1325165019.db2.gz OWFUIEWKLSJXED-XSLAUPDRSA-N 2 1 346.515 3.213 20 0 EGADMP C[C@@H](CC[S@@](C)=O)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925517317 1325187133 /nfs/dbraw/zinc/18/71/33/1325187133.db2.gz ADAPXHDATMXPTE-DXAWTLPISA-N 2 1 348.556 3.319 20 0 EGADMP C[C@@H](CC[S@@](C)=O)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925517317 1325187137 /nfs/dbraw/zinc/18/71/37/1325187137.db2.gz ADAPXHDATMXPTE-DXAWTLPISA-N 2 1 348.556 3.319 20 0 EGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)C12CCC2 ZINC000925627037 1325237293 /nfs/dbraw/zinc/23/72/93/1325237293.db2.gz VTRYWSPPEVUIRQ-RBUKOAKNSA-N 2 1 335.451 3.298 20 0 EGADMP Cc1c(Br)cccc1CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000925834256 1325320963 /nfs/dbraw/zinc/32/09/63/1325320963.db2.gz MAIJMHPJPRGJFV-GFCCVEGCSA-N 2 1 334.261 3.458 20 0 EGADMP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000925861182 1325334463 /nfs/dbraw/zinc/33/44/63/1325334463.db2.gz ODGIIIWSZFNSLM-YZDRJCRTSA-N 3 1 327.516 3.476 20 0 EGADMP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000925861181 1325334831 /nfs/dbraw/zinc/33/48/31/1325334831.db2.gz ODGIIIWSZFNSLM-RKDVLTNBSA-N 3 1 327.516 3.476 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CC2CCC2)CC1 ZINC000964437030 1325525328 /nfs/dbraw/zinc/52/53/28/1325525328.db2.gz JUMVPTJOLLYUNO-CTWPCTMYSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH2+][C@H]1CCCN(C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857090308 1325571609 /nfs/dbraw/zinc/57/16/09/1325571609.db2.gz PTYWMINMIAVGKJ-UXHICEINSA-N 2 1 343.515 3.098 20 0 EGADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857132259 1325578182 /nfs/dbraw/zinc/57/81/82/1325578182.db2.gz ZIJLMFSAUVYKOA-PMACEKPBSA-N 2 1 343.515 3.100 20 0 EGADMP CC[N@H+]1C[C@H](C)N(C(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)C[C@H]1C ZINC000857165768 1325587254 /nfs/dbraw/zinc/58/72/54/1325587254.db2.gz AVOWEPNZRHGHJY-FUHIMQAGSA-N 2 1 343.515 3.051 20 0 EGADMP CC[NH+]1C[C@H](C)N(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)C[C@H]1C ZINC000857165768 1325587260 /nfs/dbraw/zinc/58/72/60/1325587260.db2.gz AVOWEPNZRHGHJY-FUHIMQAGSA-N 2 1 343.515 3.051 20 0 EGADMP CC[NH+]1C[C@H](C)N(C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)C[C@H]1C ZINC000857165768 1325587267 /nfs/dbraw/zinc/58/72/67/1325587267.db2.gz AVOWEPNZRHGHJY-FUHIMQAGSA-N 2 1 343.515 3.051 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@@H]([N@@H+](C)CCC3=CCCCC3)C2)CCC1 ZINC001027441932 1327681628 /nfs/dbraw/zinc/68/16/28/1327681628.db2.gz YZKNSZMADWTZCD-LJQANCHMSA-N 2 1 347.547 3.284 20 0 EGADMP C[N@@H+](Cc1ccsc1)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027447932 1327691437 /nfs/dbraw/zinc/69/14/37/1327691437.db2.gz BUODASWRYXMFHI-QZTJIDSGSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001027447932 1327691448 /nfs/dbraw/zinc/69/14/48/1327691448.db2.gz BUODASWRYXMFHI-QZTJIDSGSA-N 2 1 349.544 3.045 20 0 EGADMP C[NH+](Cc1ccsc1)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001027447932 1327691458 /nfs/dbraw/zinc/69/14/58/1327691458.db2.gz BUODASWRYXMFHI-QZTJIDSGSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(Br)n1 ZINC000926752091 1327700330 /nfs/dbraw/zinc/70/03/30/1327700330.db2.gz CYDQOXVDLZHBAV-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(Br)n1 ZINC000926752091 1327700336 /nfs/dbraw/zinc/70/03/36/1327700336.db2.gz CYDQOXVDLZHBAV-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP CCc1cccc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)c1 ZINC001027581967 1327915696 /nfs/dbraw/zinc/91/56/96/1327915696.db2.gz JGAIMPVVKMUFKN-PMACEKPBSA-N 2 1 345.531 3.012 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCC2)C1 ZINC001027647250 1328027043 /nfs/dbraw/zinc/02/70/43/1328027043.db2.gz MDRYQMYUWUDIIT-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1 ZINC001027647250 1328027048 /nfs/dbraw/zinc/02/70/48/1328027048.db2.gz MDRYQMYUWUDIIT-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC001027647250 1328027058 /nfs/dbraw/zinc/02/70/58/1328027058.db2.gz MDRYQMYUWUDIIT-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CC[N@H+](CC2CCC2)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000966485384 1328317785 /nfs/dbraw/zinc/31/77/85/1328317785.db2.gz BFSDSASRCNEPBE-RHSMWYFYSA-N 2 1 349.544 3.050 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2CCC2)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000966485384 1328317789 /nfs/dbraw/zinc/31/77/89/1328317789.db2.gz BFSDSASRCNEPBE-RHSMWYFYSA-N 2 1 349.544 3.050 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027929672 1328407917 /nfs/dbraw/zinc/40/79/17/1328407917.db2.gz HWNKJOLZZMAKTD-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929672 1328407925 /nfs/dbraw/zinc/40/79/25/1328407925.db2.gz HWNKJOLZZMAKTD-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001027929672 1328407929 /nfs/dbraw/zinc/40/79/29/1328407929.db2.gz HWNKJOLZZMAKTD-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028003462 1328464594 /nfs/dbraw/zinc/46/45/94/1328464594.db2.gz OOMQSDBVGVHYFL-LJQANCHMSA-N 2 1 348.450 3.037 20 0 EGADMP Oc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C(F)(F)F)CC2)cc1 ZINC000866124550 1330068007 /nfs/dbraw/zinc/06/80/07/1330068007.db2.gz OMRRJDCLAOEDBX-UHFFFAOYSA-N 2 1 337.345 3.128 20 0 EGADMP CC(C)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccccn1 ZINC000866217776 1330079740 /nfs/dbraw/zinc/07/97/40/1330079740.db2.gz HECJWDKKKQVGQE-NRFANRHFSA-N 2 1 339.483 3.401 20 0 EGADMP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000866666816 1330139629 /nfs/dbraw/zinc/13/96/29/1330139629.db2.gz XOKNRERZWZHRSD-JYJNAYRXSA-N 2 1 349.906 3.297 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC3CCC3)CC2(C)C)CC1 ZINC000941001839 1331290921 /nfs/dbraw/zinc/29/09/21/1331290921.db2.gz AJQBJQHHIOFOMG-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000941029615 1331300783 /nfs/dbraw/zinc/30/07/83/1331300783.db2.gz XVMBFFHYSFXNEY-LJQANCHMSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)c1nccn1CC(=O)N[C@H]1CC[N@@H+](CCC2CC2)CC1(C)C ZINC000941068716 1331318841 /nfs/dbraw/zinc/31/88/41/1331318841.db2.gz STMSNALZBAGEAM-KRWDZBQOSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCC2CC2)CC1(C)C ZINC000941068716 1331318845 /nfs/dbraw/zinc/31/88/45/1331318845.db2.gz STMSNALZBAGEAM-KRWDZBQOSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCC2CC2)CC1(C)C ZINC000941068716 1331318850 /nfs/dbraw/zinc/31/88/50/1331318850.db2.gz STMSNALZBAGEAM-KRWDZBQOSA-N 2 1 346.519 3.023 20 0 EGADMP Cc1nc[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)CC1(C)C ZINC000941186285 1331376099 /nfs/dbraw/zinc/37/60/99/1331376099.db2.gz IATWKAHPSZHNQD-GOSISDBHSA-N 2 1 346.519 3.058 20 0 EGADMP C[C@H]1C[N@@H+](CC2CCC2)CC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942098883 1331829579 /nfs/dbraw/zinc/82/95/79/1331829579.db2.gz CHJHBMZQFMTKGM-WMLDXEAASA-N 2 1 349.544 3.050 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942581124 1331986778 /nfs/dbraw/zinc/98/67/78/1331986778.db2.gz AKMZHAOIMFBLIN-MAUKXSAKSA-N 2 1 349.519 3.218 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCC2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821120 1332042425 /nfs/dbraw/zinc/04/24/25/1332042425.db2.gz BSXIIMKUCUXFOA-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCC2)CC[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821120 1332042428 /nfs/dbraw/zinc/04/24/28/1332042428.db2.gz BSXIIMKUCUXFOA-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCC2)CC[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821120 1332042432 /nfs/dbraw/zinc/04/24/32/1332042432.db2.gz BSXIIMKUCUXFOA-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[N@@H+](CC2CCCCC2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943290420 1332139709 /nfs/dbraw/zinc/13/97/09/1332139709.db2.gz XIURFBGWDSLERC-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CC3=CCCCC3)C[C@@H]2C)CC1 ZINC000943756177 1332254735 /nfs/dbraw/zinc/25/47/35/1332254735.db2.gz MDHRVBOXVVPMSU-AZUAARDMSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CCCC1CCC1 ZINC000947493057 1333145698 /nfs/dbraw/zinc/14/56/98/1333145698.db2.gz PSTSPMKHZXLNIB-HKUYNNGSSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCCC1CCCC1 ZINC000947684704 1333222448 /nfs/dbraw/zinc/22/24/48/1333222448.db2.gz JNKCECVXNRZOFW-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CCCC1CCC1 ZINC000947725864 1333241150 /nfs/dbraw/zinc/24/11/50/1333241150.db2.gz DYULJPBRZQYHKX-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CCCC1CCC1 ZINC000947725864 1333241153 /nfs/dbraw/zinc/24/11/53/1333241153.db2.gz DYULJPBRZQYHKX-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CCCC1CCC1 ZINC000947725864 1333241159 /nfs/dbraw/zinc/24/11/59/1333241159.db2.gz DYULJPBRZQYHKX-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947907266 1333301189 /nfs/dbraw/zinc/30/11/89/1333301189.db2.gz FXMLUGCGLAILBC-PXNSSMCTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[N@@H+]1CCC(C)(C)C ZINC000947939891 1333312947 /nfs/dbraw/zinc/31/29/47/1333312947.db2.gz LZHAGBVOGBRQSR-HZPDHXFCSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[N@H+]1CCC(C)(C)C ZINC000947939891 1333312949 /nfs/dbraw/zinc/31/29/49/1333312949.db2.gz LZHAGBVOGBRQSR-HZPDHXFCSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CC3CC(C)(C)C3)CC2)CC[N@H+]1C ZINC000948386115 1333503896 /nfs/dbraw/zinc/50/38/96/1333503896.db2.gz STYSNGMQOPDDMQ-BHIYHBOVSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](CC3CC(C)(C)C3)CC2)CC[NH+]1C ZINC000948386115 1333503901 /nfs/dbraw/zinc/50/39/01/1333503901.db2.gz STYSNGMQOPDDMQ-BHIYHBOVSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CC3CC(C)(C)C3)CC2)CC[NH+]1C ZINC000948386115 1333503904 /nfs/dbraw/zinc/50/39/04/1333503904.db2.gz STYSNGMQOPDDMQ-BHIYHBOVSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CCCC3CCC3)CC2)CC[N@H+]1C ZINC000948386073 1333504147 /nfs/dbraw/zinc/50/41/47/1333504147.db2.gz SKFMCYXMSYRRNO-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](CCCC3CCC3)CC2)CC[NH+]1C ZINC000948386073 1333504150 /nfs/dbraw/zinc/50/41/50/1333504150.db2.gz SKFMCYXMSYRRNO-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CCCC3CCC3)CC2)CC[NH+]1C ZINC000948386073 1333504153 /nfs/dbraw/zinc/50/41/53/1333504153.db2.gz SKFMCYXMSYRRNO-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC000948416466 1333516961 /nfs/dbraw/zinc/51/69/61/1333516961.db2.gz GKPUOHCDONUUDX-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948416466 1333516966 /nfs/dbraw/zinc/51/69/66/1333516966.db2.gz GKPUOHCDONUUDX-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948416466 1333516968 /nfs/dbraw/zinc/51/69/68/1333516968.db2.gz GKPUOHCDONUUDX-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000948553926 1333572243 /nfs/dbraw/zinc/57/22/43/1333572243.db2.gz OGRNYZLLUJNJTC-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC000948553926 1333572245 /nfs/dbraw/zinc/57/22/45/1333572245.db2.gz OGRNYZLLUJNJTC-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC000948553926 1333572247 /nfs/dbraw/zinc/57/22/47/1333572247.db2.gz OGRNYZLLUJNJTC-ZWKOTPCHSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC000948637690 1333606418 /nfs/dbraw/zinc/60/64/18/1333606418.db2.gz MTOABXTWDZBFEL-WOJBJXKFSA-N 2 1 343.515 3.156 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC000948637690 1333606420 /nfs/dbraw/zinc/60/64/20/1333606420.db2.gz MTOABXTWDZBFEL-WOJBJXKFSA-N 2 1 343.515 3.156 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000948717460 1333645084 /nfs/dbraw/zinc/64/50/84/1333645084.db2.gz URPCSKMCXRHPGM-FHWLQOOXSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000948717460 1333645086 /nfs/dbraw/zinc/64/50/86/1333645086.db2.gz URPCSKMCXRHPGM-FHWLQOOXSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000948717460 1333645087 /nfs/dbraw/zinc/64/50/87/1333645087.db2.gz URPCSKMCXRHPGM-FHWLQOOXSA-N 2 1 337.552 3.076 20 0 EGADMP CN(C(=O)c1occc1C[NH+](C)C)[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948725814 1333648177 /nfs/dbraw/zinc/64/81/77/1333648177.db2.gz IVQHBCSEBTVDSE-GOSISDBHSA-N 2 1 347.503 3.068 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CCC[NH+](CCC3CCCC3)CC2)C1 ZINC000948765865 1333669021 /nfs/dbraw/zinc/66/90/21/1333669021.db2.gz DKSULBOLKSAWGB-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@H+](CCC3CCCC3)CC2)C1 ZINC000948765865 1333669023 /nfs/dbraw/zinc/66/90/23/1333669023.db2.gz DKSULBOLKSAWGB-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@@H+](CCC3CCCC3)CC2)C1 ZINC000948765865 1333669026 /nfs/dbraw/zinc/66/90/26/1333669026.db2.gz DKSULBOLKSAWGB-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[NH+](CCCC2CCC2)CC1 ZINC000949011767 1333765372 /nfs/dbraw/zinc/76/53/72/1333765372.db2.gz HQAAOHCAHNJHTB-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[NH+](CCCC2CCC2)CC1 ZINC000949011767 1333765379 /nfs/dbraw/zinc/76/53/79/1333765379.db2.gz HQAAOHCAHNJHTB-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000949824768 1333934058 /nfs/dbraw/zinc/93/40/58/1333934058.db2.gz OJPGMXAAESDKQX-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC000950631200 1334099323 /nfs/dbraw/zinc/09/93/23/1334099323.db2.gz GDVSTAYCBMNEOJ-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000951362251 1334231328 /nfs/dbraw/zinc/23/13/28/1334231328.db2.gz NVBOPMUUAJILCH-XLIONFOSSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1C[NH+](CCCC2CCC2)C1 ZINC000952406921 1334450944 /nfs/dbraw/zinc/45/09/44/1334450944.db2.gz MZCQFNQXJHSTTO-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C1C[NH+](CCCC2CCC2)C1 ZINC000952406921 1334450945 /nfs/dbraw/zinc/45/09/45/1334450945.db2.gz MZCQFNQXJHSTTO-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1C[NH+](CCC2CCCC2)C1 ZINC000952443823 1334460731 /nfs/dbraw/zinc/46/07/31/1334460731.db2.gz DAPZZUFPKVLXPM-ICSRJNTNSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CC[N@@H+](CCCC2CCCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968194006 1335869260 /nfs/dbraw/zinc/86/92/60/1335869260.db2.gz XLWUZORAAZKTCN-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC2CCCC2)C[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968330593 1335891097 /nfs/dbraw/zinc/89/10/97/1335891097.db2.gz BREUUJAAUGGNQW-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CCC2CCCC2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000968330593 1335891100 /nfs/dbraw/zinc/89/11/00/1335891100.db2.gz BREUUJAAUGGNQW-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CCC2CCCC2)C[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000968330593 1335891105 /nfs/dbraw/zinc/89/11/05/1335891105.db2.gz BREUUJAAUGGNQW-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC2CCC2)C1 ZINC000968888729 1336080306 /nfs/dbraw/zinc/08/03/06/1336080306.db2.gz YMKQDXCHGVRMEH-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC2CCC2)C1 ZINC000968888729 1336080308 /nfs/dbraw/zinc/08/03/08/1336080308.db2.gz YMKQDXCHGVRMEH-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC2CCC2)C1 ZINC000968888729 1336080310 /nfs/dbraw/zinc/08/03/10/1336080310.db2.gz YMKQDXCHGVRMEH-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(NC[C@H]1CCCCC[N@H+]1CC1CC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968888585 1336080478 /nfs/dbraw/zinc/08/04/78/1336080478.db2.gz VZDIGJKVYOHOGL-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCCCC[NH+]1CC1CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000968888585 1336080481 /nfs/dbraw/zinc/08/04/81/1336080481.db2.gz VZDIGJKVYOHOGL-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCCCC[NH+]1CC1CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000968888585 1336080483 /nfs/dbraw/zinc/08/04/83/1336080483.db2.gz VZDIGJKVYOHOGL-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCCCC[N@H+]1CC1CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968888583 1336080963 /nfs/dbraw/zinc/08/09/63/1336080963.db2.gz VZDIGJKVYOHOGL-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCCCC[NH+]1CC1CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000968888583 1336080964 /nfs/dbraw/zinc/08/09/64/1336080964.db2.gz VZDIGJKVYOHOGL-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCCCC[NH+]1CC1CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000968888583 1336080965 /nfs/dbraw/zinc/08/09/65/1336080965.db2.gz VZDIGJKVYOHOGL-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC=C(C)C)C1 ZINC000968991130 1336112526 /nfs/dbraw/zinc/11/25/26/1336112526.db2.gz WAURNUSADDMREX-PMACEKPBSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC=C(C)C)C1 ZINC000968991130 1336112527 /nfs/dbraw/zinc/11/25/27/1336112527.db2.gz WAURNUSADDMREX-PMACEKPBSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC=C(C)C)C1 ZINC000968991130 1336112529 /nfs/dbraw/zinc/11/25/29/1336112529.db2.gz WAURNUSADDMREX-PMACEKPBSA-N 2 1 349.563 3.435 20 0 EGADMP O=C(NC[C@H]1CCCCC[N@H+]1CC1CCCCC1)C12CC[NH+](CC1)C2 ZINC000969118227 1336150156 /nfs/dbraw/zinc/15/01/56/1336150156.db2.gz IUCNFTSILLDFCB-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC000969130970 1336154309 /nfs/dbraw/zinc/15/43/09/1336154309.db2.gz UPAPDXRRDXIQKE-NQIIRXRSSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000969130970 1336154310 /nfs/dbraw/zinc/15/43/10/1336154310.db2.gz UPAPDXRRDXIQKE-NQIIRXRSSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000969130970 1336154311 /nfs/dbraw/zinc/15/43/11/1336154311.db2.gz UPAPDXRRDXIQKE-NQIIRXRSSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000969170707 1336170830 /nfs/dbraw/zinc/17/08/30/1336170830.db2.gz UQUBDARGCLGDKL-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000969969662 1336267784 /nfs/dbraw/zinc/26/77/84/1336267784.db2.gz PDQLICWRNLDSET-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970325838 1336294771 /nfs/dbraw/zinc/29/47/71/1336294771.db2.gz KHLQKOHPWMPEPM-LPHOPBHVSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001005478684 1336358298 /nfs/dbraw/zinc/35/82/98/1336358298.db2.gz WRZBUDZGKWEWKX-HXUWFJFHSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC[NH+](CCC2CC2)CC1 ZINC001005504502 1336363517 /nfs/dbraw/zinc/36/35/17/1336363517.db2.gz SFECZVPFBPPYSX-FQEVSTJZSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CCCC2)CC1 ZINC001005640219 1336387088 /nfs/dbraw/zinc/38/70/88/1336387088.db2.gz OBLDXBAXNVRGLH-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001005712274 1336396284 /nfs/dbraw/zinc/39/62/84/1336396284.db2.gz BUIJCFGWRNZYFB-UHFFFAOYSA-N 2 1 346.519 3.085 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001005992829 1336435539 /nfs/dbraw/zinc/43/55/39/1336435539.db2.gz VVGFCCBLRGOWBD-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007457766 1336651236 /nfs/dbraw/zinc/65/12/36/1336651236.db2.gz RQRYIBBQNZPUHR-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001007457766 1336651238 /nfs/dbraw/zinc/65/12/38/1336651238.db2.gz RQRYIBBQNZPUHR-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001007646784 1336683426 /nfs/dbraw/zinc/68/34/26/1336683426.db2.gz QGWVOETYRNLKCB-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001007646784 1336683428 /nfs/dbraw/zinc/68/34/28/1336683428.db2.gz QGWVOETYRNLKCB-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001007646784 1336683430 /nfs/dbraw/zinc/68/34/30/1336683430.db2.gz QGWVOETYRNLKCB-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001205913200 1370908390 /nfs/dbraw/zinc/90/83/90/1370908390.db2.gz HMIWYNBVJNEEGZ-VXGBXAGGSA-N 2 1 336.277 3.490 20 0 EGADMP Cc1c(C(=O)N[C@H]2CCC[N@@H+](CC3CCCC3)C2)ccc2c[nH+]cn21 ZINC001007725077 1336691235 /nfs/dbraw/zinc/69/12/35/1336691235.db2.gz YETMUPFHIDKSEO-KRWDZBQOSA-N 2 1 340.471 3.027 20 0 EGADMP CC1CCC(C[N@H+]2CCC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001007791020 1336701198 /nfs/dbraw/zinc/70/11/98/1336701198.db2.gz YXQBXFKFUWRMDO-CTWPCTMYSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001007956881 1336738517 /nfs/dbraw/zinc/73/85/17/1336738517.db2.gz YVOYSOOEQDYOHK-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001008277226 1336812741 /nfs/dbraw/zinc/81/27/41/1336812741.db2.gz MWTHRVZBORRCBA-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001008277226 1336812744 /nfs/dbraw/zinc/81/27/44/1336812744.db2.gz MWTHRVZBORRCBA-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001008277226 1336812746 /nfs/dbraw/zinc/81/27/46/1336812746.db2.gz MWTHRVZBORRCBA-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2F)CCC[C@@H]1C[NH3+] ZINC001205991389 1370932482 /nfs/dbraw/zinc/93/24/82/1370932482.db2.gz ANNCCLSKIGCYPW-VXGBXAGGSA-N 2 1 329.257 3.395 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008297145 1336817417 /nfs/dbraw/zinc/81/74/17/1336817417.db2.gz BVKZZZONDZJVRL-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008297145 1336817419 /nfs/dbraw/zinc/81/74/19/1336817419.db2.gz BVKZZZONDZJVRL-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008297145 1336817420 /nfs/dbraw/zinc/81/74/20/1336817420.db2.gz BVKZZZONDZJVRL-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008401884 1336843124 /nfs/dbraw/zinc/84/31/24/1336843124.db2.gz XSMKNPKBMRGYSB-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CCCC3CCCC3)C2)C1 ZINC001008552886 1336880017 /nfs/dbraw/zinc/88/00/17/1336880017.db2.gz RMDVUVGEBDQANO-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001008553598 1336880285 /nfs/dbraw/zinc/88/02/85/1336880285.db2.gz VMMHPRHUDGJJFE-IEBWSBKVSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001008553598 1336880287 /nfs/dbraw/zinc/88/02/87/1336880287.db2.gz VMMHPRHUDGJJFE-IEBWSBKVSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001008553598 1336880289 /nfs/dbraw/zinc/88/02/89/1336880289.db2.gz VMMHPRHUDGJJFE-IEBWSBKVSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001008747599 1336919756 /nfs/dbraw/zinc/91/97/56/1336919756.db2.gz MGSMFFZUHNZJKB-AEFFLSMTSA-N 2 1 349.544 3.093 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001008747599 1336919759 /nfs/dbraw/zinc/91/97/59/1336919759.db2.gz MGSMFFZUHNZJKB-AEFFLSMTSA-N 2 1 349.544 3.093 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009147498 1336976530 /nfs/dbraw/zinc/97/65/30/1336976530.db2.gz WQYLFZSERPZFDT-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001014399222 1337766890 /nfs/dbraw/zinc/76/68/90/1337766890.db2.gz BQTXJYHUJWSTGF-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001014399222 1337766895 /nfs/dbraw/zinc/76/68/95/1337766895.db2.gz BQTXJYHUJWSTGF-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001014399222 1337766899 /nfs/dbraw/zinc/76/68/99/1337766899.db2.gz BQTXJYHUJWSTGF-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001014430077 1337775606 /nfs/dbraw/zinc/77/56/06/1337775606.db2.gz AKCFHRHEULWJQE-IEBWSBKVSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014636608 1337854993 /nfs/dbraw/zinc/85/49/93/1337854993.db2.gz ZCIBJYAXYCNBLC-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001014636608 1337854997 /nfs/dbraw/zinc/85/49/97/1337854997.db2.gz ZCIBJYAXYCNBLC-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001014636608 1337855002 /nfs/dbraw/zinc/85/50/02/1337855002.db2.gz ZCIBJYAXYCNBLC-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CCC2CCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001014730922 1337890096 /nfs/dbraw/zinc/89/00/96/1337890096.db2.gz YMQATZJYTSSPRK-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CCC2CCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001014730922 1337890100 /nfs/dbraw/zinc/89/01/00/1337890100.db2.gz YMQATZJYTSSPRK-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CC[NH+](CCC2CCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001014730922 1337890104 /nfs/dbraw/zinc/89/01/04/1337890104.db2.gz YMQATZJYTSSPRK-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001015112016 1338022983 /nfs/dbraw/zinc/02/29/83/1338022983.db2.gz AXNKXHWFXRUVTM-LPHOPBHVSA-N 2 1 348.450 3.208 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CCCC2CCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001015112923 1338023473 /nfs/dbraw/zinc/02/34/73/1338023473.db2.gz HBPHBEKABPLJLK-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001015596372 1338201295 /nfs/dbraw/zinc/20/12/95/1338201295.db2.gz BOXLDFINCLJJLM-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001015596372 1338201301 /nfs/dbraw/zinc/20/13/01/1338201301.db2.gz BOXLDFINCLJJLM-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001015596372 1338201303 /nfs/dbraw/zinc/20/13/03/1338201303.db2.gz BOXLDFINCLJJLM-VQTJNVASSA-N 2 1 347.547 3.189 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015895720 1338351468 /nfs/dbraw/zinc/35/14/68/1338351468.db2.gz AFYAEWHFLABYJH-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3=CCCCC3)C2)CC1 ZINC001015930929 1338363293 /nfs/dbraw/zinc/36/32/93/1338363293.db2.gz WWFBQEHHHZUGPE-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001015971355 1338383588 /nfs/dbraw/zinc/38/35/88/1338383588.db2.gz AFICCRPQVWLRCY-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001015971355 1338383591 /nfs/dbraw/zinc/38/35/91/1338383591.db2.gz AFICCRPQVWLRCY-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001015971355 1338383594 /nfs/dbraw/zinc/38/35/94/1338383594.db2.gz AFICCRPQVWLRCY-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016660738 1338681912 /nfs/dbraw/zinc/68/19/12/1338681912.db2.gz AWSYKXBKPGKWRO-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CC23CC[NH+](CC=C(C)C)CC3)C1 ZINC001016789263 1338728128 /nfs/dbraw/zinc/72/81/28/1338728128.db2.gz IJGYYLUHLCRFPR-RBUKOAKNSA-N 2 1 347.547 3.045 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](C(C)C)CC2 ZINC001016922451 1338771005 /nfs/dbraw/zinc/77/10/05/1338771005.db2.gz CVVGZMHLKRYULV-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H](C[NH+](C)CC3CCC3)C2)C1 ZINC001017190634 1338936940 /nfs/dbraw/zinc/93/69/40/1338936940.db2.gz BZBMDYWUNLWPEJ-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)CC3CCC3)C2)C1 ZINC001017190634 1338936942 /nfs/dbraw/zinc/93/69/42/1338936942.db2.gz BZBMDYWUNLWPEJ-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)CC3CCC3)C2)C1 ZINC001017190634 1338936947 /nfs/dbraw/zinc/93/69/47/1338936947.db2.gz BZBMDYWUNLWPEJ-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001017208393 1338955181 /nfs/dbraw/zinc/95/51/81/1338955181.db2.gz GDEFGAKFDSVQLJ-UYAOXDASSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001017208393 1338955183 /nfs/dbraw/zinc/95/51/83/1338955183.db2.gz GDEFGAKFDSVQLJ-UYAOXDASSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001017208393 1338955186 /nfs/dbraw/zinc/95/51/86/1338955186.db2.gz GDEFGAKFDSVQLJ-UYAOXDASSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCCC2CCC2)C1 ZINC001028088791 1340418293 /nfs/dbraw/zinc/41/82/93/1340418293.db2.gz PSLMCCTXQJFKPP-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCCC2CCC2)C1 ZINC001028088791 1340418296 /nfs/dbraw/zinc/41/82/96/1340418296.db2.gz PSLMCCTXQJFKPP-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCCC2CCC2)C1 ZINC001028088791 1340418298 /nfs/dbraw/zinc/41/82/98/1340418298.db2.gz PSLMCCTXQJFKPP-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCC2CCCCC2)CC[N@H+]1C ZINC001028098148 1340425280 /nfs/dbraw/zinc/42/52/80/1340425280.db2.gz KUAQTABSILUZHE-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCC2CCCCC2)CC[NH+]1C ZINC001028098148 1340425281 /nfs/dbraw/zinc/42/52/81/1340425281.db2.gz KUAQTABSILUZHE-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCC2CCCCC2)CC[NH+]1C ZINC001028098148 1340425282 /nfs/dbraw/zinc/42/52/82/1340425282.db2.gz KUAQTABSILUZHE-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028181271 1340471825 /nfs/dbraw/zinc/47/18/25/1340471825.db2.gz PZTJSILZHGNVGY-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001028181271 1340471828 /nfs/dbraw/zinc/47/18/28/1340471828.db2.gz PZTJSILZHGNVGY-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001028181271 1340471830 /nfs/dbraw/zinc/47/18/30/1340471830.db2.gz PZTJSILZHGNVGY-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001029132924 1340938864 /nfs/dbraw/zinc/93/88/64/1340938864.db2.gz BXQGASRIBKQTNZ-APWZRJJASA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001029330238 1340972978 /nfs/dbraw/zinc/97/29/78/1340972978.db2.gz JASGFJQRFRAHMP-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001029330238 1340972979 /nfs/dbraw/zinc/97/29/79/1340972979.db2.gz JASGFJQRFRAHMP-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001029330238 1340972980 /nfs/dbraw/zinc/97/29/80/1340972980.db2.gz JASGFJQRFRAHMP-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001029339431 1340974141 /nfs/dbraw/zinc/97/41/41/1340974141.db2.gz XFDIBOFYGQULAK-QRVBRYPASA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001029339431 1340974142 /nfs/dbraw/zinc/97/41/42/1340974142.db2.gz XFDIBOFYGQULAK-QRVBRYPASA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001029339431 1340974143 /nfs/dbraw/zinc/97/41/43/1340974143.db2.gz XFDIBOFYGQULAK-QRVBRYPASA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)CC1 ZINC001029539195 1341008688 /nfs/dbraw/zinc/00/86/88/1341008688.db2.gz IICLPQKDINCKSU-KDURUIRLSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029739476 1341059416 /nfs/dbraw/zinc/05/94/16/1341059416.db2.gz JKTQIWPNBYTYSS-HKUYNNGSSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001029739476 1341059417 /nfs/dbraw/zinc/05/94/17/1341059417.db2.gz JKTQIWPNBYTYSS-HKUYNNGSSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001029739476 1341059420 /nfs/dbraw/zinc/05/94/20/1341059420.db2.gz JKTQIWPNBYTYSS-HKUYNNGSSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001029751630 1341063749 /nfs/dbraw/zinc/06/37/49/1341063749.db2.gz YQDFMWJYPNAXOT-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001029751630 1341063750 /nfs/dbraw/zinc/06/37/50/1341063750.db2.gz YQDFMWJYPNAXOT-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001029751630 1341063751 /nfs/dbraw/zinc/06/37/51/1341063751.db2.gz YQDFMWJYPNAXOT-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCC2)C1 ZINC001029886677 1341104907 /nfs/dbraw/zinc/10/49/07/1341104907.db2.gz IBUGORARYCENMQ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001029886677 1341104908 /nfs/dbraw/zinc/10/49/08/1341104908.db2.gz IBUGORARYCENMQ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029886677 1341104909 /nfs/dbraw/zinc/10/49/09/1341104909.db2.gz IBUGORARYCENMQ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC2CCC2)CC1 ZINC001029976773 1341141401 /nfs/dbraw/zinc/14/14/01/1341141401.db2.gz NVPMHMQSKIEIFY-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1 ZINC001029976773 1341141403 /nfs/dbraw/zinc/14/14/03/1341141403.db2.gz NVPMHMQSKIEIFY-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1 ZINC001029976773 1341141405 /nfs/dbraw/zinc/14/14/05/1341141405.db2.gz NVPMHMQSKIEIFY-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH+](C)CC2CC(C)C2)CC1 ZINC001030014883 1341158366 /nfs/dbraw/zinc/15/83/66/1341158366.db2.gz RTEJPWOXVGYWCX-UUKMXZOPSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC2CC(C)C2)CC1 ZINC001030014883 1341158367 /nfs/dbraw/zinc/15/83/67/1341158367.db2.gz RTEJPWOXVGYWCX-UUKMXZOPSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC2CC(C)C2)CC1 ZINC001030014883 1341158368 /nfs/dbraw/zinc/15/83/68/1341158368.db2.gz RTEJPWOXVGYWCX-UUKMXZOPSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001031431612 1341340960 /nfs/dbraw/zinc/34/09/60/1341340960.db2.gz PUGOXRCJWRWDNL-CALCHBBNSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001031431612 1341340963 /nfs/dbraw/zinc/34/09/63/1341340963.db2.gz PUGOXRCJWRWDNL-CALCHBBNSA-N 2 1 335.536 3.020 20 0 EGADMP O=C(NCC1C[NH+](CCC2CCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001031729115 1341394099 /nfs/dbraw/zinc/39/40/99/1341394099.db2.gz AVSFHMDLYIBYOD-FQEVSTJZSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NCC1C[NH+](CC2CCCCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001031767784 1341399032 /nfs/dbraw/zinc/39/90/32/1341399032.db2.gz YESLEGXKHDMFHV-VQTJNVASSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC(CC)CC ZINC001032726058 1341593161 /nfs/dbraw/zinc/59/31/61/1341593161.db2.gz FHZZTRODPMSLPB-SLFFLAALSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(CC)CC ZINC001032726058 1341593162 /nfs/dbraw/zinc/59/31/62/1341593162.db2.gz FHZZTRODPMSLPB-SLFFLAALSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(CC)CC ZINC001032726058 1341593163 /nfs/dbraw/zinc/59/31/63/1341593163.db2.gz FHZZTRODPMSLPB-SLFFLAALSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033081903 1341718261 /nfs/dbraw/zinc/71/82/61/1341718261.db2.gz NNNROGJQZJQULB-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033081903 1341718263 /nfs/dbraw/zinc/71/82/63/1341718263.db2.gz NNNROGJQZJQULB-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033081903 1341718264 /nfs/dbraw/zinc/71/82/64/1341718264.db2.gz NNNROGJQZJQULB-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033144953 1341738686 /nfs/dbraw/zinc/73/86/86/1341738686.db2.gz CWLBYKFJHWQHEB-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033144953 1341738687 /nfs/dbraw/zinc/73/86/87/1341738687.db2.gz CWLBYKFJHWQHEB-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033144953 1341738688 /nfs/dbraw/zinc/73/86/88/1341738688.db2.gz CWLBYKFJHWQHEB-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033416748 1341821084 /nfs/dbraw/zinc/82/10/84/1341821084.db2.gz RGHXWTVAKFTKFZ-MJGOQNOKSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001033416748 1341821085 /nfs/dbraw/zinc/82/10/85/1341821085.db2.gz RGHXWTVAKFTKFZ-MJGOQNOKSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001033416748 1341821086 /nfs/dbraw/zinc/82/10/86/1341821086.db2.gz RGHXWTVAKFTKFZ-MJGOQNOKSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001033467700 1341837792 /nfs/dbraw/zinc/83/77/92/1341837792.db2.gz QNZGQRJKMFYLAZ-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033474919 1341840743 /nfs/dbraw/zinc/84/07/43/1341840743.db2.gz KYUKWBSDPKZRBI-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033826391 1342027262 /nfs/dbraw/zinc/02/72/62/1342027262.db2.gz PJVFWYZLTLHPAJ-RTBURBONSA-N 2 1 349.563 3.218 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033826391 1342027263 /nfs/dbraw/zinc/02/72/63/1342027263.db2.gz PJVFWYZLTLHPAJ-RTBURBONSA-N 2 1 349.563 3.218 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033826391 1342027265 /nfs/dbraw/zinc/02/72/65/1342027265.db2.gz PJVFWYZLTLHPAJ-RTBURBONSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033855890 1342046422 /nfs/dbraw/zinc/04/64/22/1342046422.db2.gz OBWOROQCPSWADQ-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033855890 1342046427 /nfs/dbraw/zinc/04/64/27/1342046427.db2.gz OBWOROQCPSWADQ-MSOLQXFVSA-N 2 1 346.519 3.120 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001033990793 1342134000 /nfs/dbraw/zinc/13/40/00/1342134000.db2.gz XRYCBASMKYQJCP-CZIMKVFHSA-N 2 1 349.906 3.037 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001033990793 1342134002 /nfs/dbraw/zinc/13/40/02/1342134002.db2.gz XRYCBASMKYQJCP-CZIMKVFHSA-N 2 1 349.906 3.037 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCCC3CCC3)C2)CC[N@H+]1C ZINC001034217190 1342323777 /nfs/dbraw/zinc/32/37/77/1342323777.db2.gz OTKPUPGWWBVLOM-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCCC3CCC3)C2)CC[NH+]1C ZINC001034217190 1342323779 /nfs/dbraw/zinc/32/37/79/1342323779.db2.gz OTKPUPGWWBVLOM-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCCC3CCC3)C2)CC[NH+]1C ZINC001034217190 1342323780 /nfs/dbraw/zinc/32/37/80/1342323780.db2.gz OTKPUPGWWBVLOM-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CCC(C)(C)C)C2)CC[N@H+]1C ZINC001034217583 1342323933 /nfs/dbraw/zinc/32/39/33/1342323933.db2.gz TYWRWFQGNDCDNA-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCC(C)(C)C)C2)CC[NH+]1C ZINC001034217583 1342323937 /nfs/dbraw/zinc/32/39/37/1342323937.db2.gz TYWRWFQGNDCDNA-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCC(C)(C)C)C2)CC[NH+]1C ZINC001034217583 1342323941 /nfs/dbraw/zinc/32/39/41/1342323941.db2.gz TYWRWFQGNDCDNA-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034239066 1342340709 /nfs/dbraw/zinc/34/07/09/1342340709.db2.gz HMRAVIIHVFWAGP-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2=CCCCC2)C1 ZINC001034239066 1342340713 /nfs/dbraw/zinc/34/07/13/1342340713.db2.gz HMRAVIIHVFWAGP-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2=CCCCC2)C1 ZINC001034239066 1342340714 /nfs/dbraw/zinc/34/07/14/1342340714.db2.gz HMRAVIIHVFWAGP-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034251448 1342347296 /nfs/dbraw/zinc/34/72/96/1342347296.db2.gz ZHBYHPULFCDAND-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034251448 1342347300 /nfs/dbraw/zinc/34/73/00/1342347300.db2.gz ZHBYHPULFCDAND-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034251448 1342347301 /nfs/dbraw/zinc/34/73/01/1342347301.db2.gz ZHBYHPULFCDAND-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cs1 ZINC001034272885 1342363660 /nfs/dbraw/zinc/36/36/60/1342363660.db2.gz XXUFXCJBWHTANU-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)cs1 ZINC001034272885 1342363662 /nfs/dbraw/zinc/36/36/62/1342363662.db2.gz XXUFXCJBWHTANU-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)cs1 ZINC001034272885 1342363663 /nfs/dbraw/zinc/36/36/63/1342363663.db2.gz XXUFXCJBWHTANU-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034272566 1342364573 /nfs/dbraw/zinc/36/45/73/1342364573.db2.gz VUKWLIKIGUPZTB-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCCC2CCCC2)C1 ZINC001034272566 1342364575 /nfs/dbraw/zinc/36/45/75/1342364575.db2.gz VUKWLIKIGUPZTB-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCC2CCCC2)C1 ZINC001034272566 1342364578 /nfs/dbraw/zinc/36/45/78/1342364578.db2.gz VUKWLIKIGUPZTB-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034361792 1342432997 /nfs/dbraw/zinc/43/29/97/1342432997.db2.gz SCFRMZNCEVGVJH-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034361792 1342433002 /nfs/dbraw/zinc/43/30/02/1342433002.db2.gz SCFRMZNCEVGVJH-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034361792 1342433006 /nfs/dbraw/zinc/43/30/06/1342433006.db2.gz SCFRMZNCEVGVJH-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](CC3=CCCCC3)C2)C1 ZINC001034393313 1342462244 /nfs/dbraw/zinc/46/22/44/1342462244.db2.gz CRYLDTPFWBYLRT-IBGZPJMESA-N 2 1 347.547 3.189 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CC3=CCCCC3)C2)C1 ZINC001034393313 1342462245 /nfs/dbraw/zinc/46/22/45/1342462245.db2.gz CRYLDTPFWBYLRT-IBGZPJMESA-N 2 1 347.547 3.189 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001034393313 1342462250 /nfs/dbraw/zinc/46/22/50/1342462250.db2.gz CRYLDTPFWBYLRT-IBGZPJMESA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034436720 1342499043 /nfs/dbraw/zinc/49/90/43/1342499043.db2.gz BIDAUIVKDILVGI-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](F)CC[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444515 1342504484 /nfs/dbraw/zinc/50/44/84/1342504484.db2.gz HSNSQQNSKJLMGS-LPHOPBHVSA-N 2 1 349.494 3.081 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](CCC2CCCC2)C1)[C@@]12CC[NH+](C1)CCC2 ZINC001034506848 1342564923 /nfs/dbraw/zinc/56/49/23/1342564923.db2.gz QLQGGMUXYIRIBN-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(N[C@@H]1CCCC[NH+](CCC2CCCC2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001034506848 1342564936 /nfs/dbraw/zinc/56/49/36/1342564936.db2.gz QLQGGMUXYIRIBN-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(N[C@@H]1CCCC[NH+](CCC2CCCC2)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001034506848 1342564938 /nfs/dbraw/zinc/56/49/38/1342564938.db2.gz QLQGGMUXYIRIBN-CTNGQTDRSA-N 2 1 347.547 3.023 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034542864 1342602003 /nfs/dbraw/zinc/60/20/03/1342602003.db2.gz BPMFSQSMTXQWSY-SJLPKXTDSA-N 2 1 349.494 3.081 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC001034672374 1342683109 /nfs/dbraw/zinc/68/31/09/1342683109.db2.gz LKCXEJXSQQOGQD-FRYIKTPZSA-N 2 1 343.515 3.249 20 0 EGADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cs1 ZINC001034674296 1342685319 /nfs/dbraw/zinc/68/53/19/1342685319.db2.gz KWEMPZHIHCTIOH-BZSNNMDCSA-N 2 1 349.544 3.058 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[C@@H]([NH2+]CC2CCC(C)CC2)CC1 ZINC001034735891 1342729327 /nfs/dbraw/zinc/72/93/27/1342729327.db2.gz PJJHDRFAFHQRIH-TZCBXBLLSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034934902 1342843590 /nfs/dbraw/zinc/84/35/90/1342843590.db2.gz YFUKPEKTMGAJNG-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001034954467 1342852060 /nfs/dbraw/zinc/85/20/60/1342852060.db2.gz RZZMLOQICSGMKS-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)c1 ZINC001034958095 1342852338 /nfs/dbraw/zinc/85/23/38/1342852338.db2.gz ZVWOOSKTIFJXMK-YLJYHZDGSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)c1ccccc1Cl ZINC001035013905 1342876059 /nfs/dbraw/zinc/87/60/59/1342876059.db2.gz NUMGBLJYUPXLIF-HDMKZQKVSA-N 2 1 349.906 3.076 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC001035020295 1342880488 /nfs/dbraw/zinc/88/04/88/1342880488.db2.gz UCHBRSXIKBKGHX-SXLOBPIMSA-N 2 1 343.515 3.121 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1)c1ccccc1 ZINC001035134759 1342950092 /nfs/dbraw/zinc/95/00/92/1342950092.db2.gz RTEXMMJTTLXFMC-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CC=C(C)C)C2)CC1 ZINC001035188813 1343003063 /nfs/dbraw/zinc/00/30/63/1343003063.db2.gz KSCALGOCQPCNGU-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CC=C(C)C)C2)CC1 ZINC001035188813 1343003069 /nfs/dbraw/zinc/00/30/69/1343003069.db2.gz KSCALGOCQPCNGU-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CC=C(C)C)C2)CC1 ZINC001035188813 1343003071 /nfs/dbraw/zinc/00/30/71/1343003071.db2.gz KSCALGOCQPCNGU-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)(C)C1)CC2 ZINC001035227615 1343048930 /nfs/dbraw/zinc/04/89/30/1343048930.db2.gz SLDFAPFKSAIXCA-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC(C)(C)C1)CC2 ZINC001035227615 1343048932 /nfs/dbraw/zinc/04/89/32/1343048932.db2.gz SLDFAPFKSAIXCA-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CCC(C)(C)C1)CC2 ZINC001035227615 1343048936 /nfs/dbraw/zinc/04/89/36/1343048936.db2.gz SLDFAPFKSAIXCA-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233518 1343055335 /nfs/dbraw/zinc/05/53/35/1343055335.db2.gz GKIZYSNSYRQHFP-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035233518 1343055336 /nfs/dbraw/zinc/05/53/36/1343055336.db2.gz GKIZYSNSYRQHFP-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035233518 1343055337 /nfs/dbraw/zinc/05/53/37/1343055337.db2.gz GKIZYSNSYRQHFP-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035707838 1343144205 /nfs/dbraw/zinc/14/42/05/1343144205.db2.gz RMIIREXPDSGUFM-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035721635 1343152136 /nfs/dbraw/zinc/15/21/36/1343152136.db2.gz XOCXJQXVZUAVDG-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001036408678 1343469474 /nfs/dbraw/zinc/46/94/74/1343469474.db2.gz FYTNGPQNSDXECT-AEFFLSMTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001036556531 1343552186 /nfs/dbraw/zinc/55/21/86/1343552186.db2.gz MQBAVNDUCJJGSI-FXAWDEMLSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1[NH2+]CC1CCC1 ZINC001037923272 1344183057 /nfs/dbraw/zinc/18/30/57/1344183057.db2.gz AVAIOJHKFQHNAQ-MSOLQXFVSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038238191 1344338250 /nfs/dbraw/zinc/33/82/50/1344338250.db2.gz GELFNAXEQKLXSB-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCCC1 ZINC001038238191 1344338254 /nfs/dbraw/zinc/33/82/54/1344338254.db2.gz GELFNAXEQKLXSB-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001038238191 1344338258 /nfs/dbraw/zinc/33/82/58/1344338258.db2.gz GELFNAXEQKLXSB-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248782 1344343744 /nfs/dbraw/zinc/34/37/44/1344343744.db2.gz PQCWNGRQGMMIAM-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248782 1344343749 /nfs/dbraw/zinc/34/37/49/1344343749.db2.gz PQCWNGRQGMMIAM-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248782 1344343752 /nfs/dbraw/zinc/34/37/52/1344343752.db2.gz PQCWNGRQGMMIAM-AZUAARDMSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038406159 1344415054 /nfs/dbraw/zinc/41/50/54/1344415054.db2.gz ASWNNJILUAFMNI-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCCC1 ZINC001038406159 1344415059 /nfs/dbraw/zinc/41/50/59/1344415059.db2.gz ASWNNJILUAFMNI-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001038406159 1344415060 /nfs/dbraw/zinc/41/50/60/1344415060.db2.gz ASWNNJILUAFMNI-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038520048 1344464495 /nfs/dbraw/zinc/46/44/95/1344464495.db2.gz MAQZXJHBDQLXLP-VQIMIIECSA-N 2 1 348.450 3.208 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1CC1CCCC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038620891 1344507879 /nfs/dbraw/zinc/50/78/79/1344507879.db2.gz FVGPJZRSHGAQBU-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CC1CCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038620891 1344507882 /nfs/dbraw/zinc/50/78/82/1344507882.db2.gz FVGPJZRSHGAQBU-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CC[NH+]1CC1CCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001038620891 1344507884 /nfs/dbraw/zinc/50/78/84/1344507884.db2.gz FVGPJZRSHGAQBU-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CC2(CCC2)C1 ZINC001038783372 1344582934 /nfs/dbraw/zinc/58/29/34/1344582934.db2.gz WVVQSQOJKWXILI-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001038783372 1344582939 /nfs/dbraw/zinc/58/29/39/1344582939.db2.gz WVVQSQOJKWXILI-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001038783372 1344582942 /nfs/dbraw/zinc/58/29/42/1344582942.db2.gz WVVQSQOJKWXILI-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCC1CCCC1 ZINC001039046654 1344732621 /nfs/dbraw/zinc/73/26/21/1344732621.db2.gz AKLBMDQHWCFCCB-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001039046654 1344732624 /nfs/dbraw/zinc/73/26/24/1344732624.db2.gz AKLBMDQHWCFCCB-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCCC1CCCC1 ZINC001039046654 1344732626 /nfs/dbraw/zinc/73/26/26/1344732626.db2.gz AKLBMDQHWCFCCB-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039166350 1344851532 /nfs/dbraw/zinc/85/15/32/1344851532.db2.gz VIAMDDULMXRPKG-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001039182897 1344880851 /nfs/dbraw/zinc/88/08/51/1344880851.db2.gz UBYRMJRBOIKMQD-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001039182897 1344880854 /nfs/dbraw/zinc/88/08/54/1344880854.db2.gz UBYRMJRBOIKMQD-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182897 1344880856 /nfs/dbraw/zinc/88/08/56/1344880856.db2.gz UBYRMJRBOIKMQD-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233339 1344953184 /nfs/dbraw/zinc/95/31/84/1344953184.db2.gz AYUPKKXGGNCOFE-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039234375 1344954925 /nfs/dbraw/zinc/95/49/25/1344954925.db2.gz IZXSWCLUVOGIRJ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241747 1344967113 /nfs/dbraw/zinc/96/71/13/1344967113.db2.gz IBEJKDXEFGNFDL-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001039406484 1345051469 /nfs/dbraw/zinc/05/14/69/1345051469.db2.gz WCIYOWDPGLSQBD-SUMDDJOVSA-N 2 1 340.471 3.059 20 0 EGADMP CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCC1)[NH+]1CCCCC1 ZINC001039587528 1345146275 /nfs/dbraw/zinc/14/62/75/1345146275.db2.gz XIOJLBVLAILFQA-KDURUIRLSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCC(C)C)C1 ZINC001039863615 1345219593 /nfs/dbraw/zinc/21/95/93/1345219593.db2.gz JZFHFUKQSOEVQY-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCC(C)C)C1 ZINC001039863615 1345219596 /nfs/dbraw/zinc/21/95/96/1345219596.db2.gz JZFHFUKQSOEVQY-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCC(C)C)C1 ZINC001039863615 1345219598 /nfs/dbraw/zinc/21/95/98/1345219598.db2.gz JZFHFUKQSOEVQY-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC1CCC1)[NH+](C)C ZINC001039900133 1345240491 /nfs/dbraw/zinc/24/04/91/1345240491.db2.gz MSQHUSDHUDHXJH-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040242206 1345393029 /nfs/dbraw/zinc/39/30/29/1345393029.db2.gz XCDPGMRABGYZNN-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040397692 1345475713 /nfs/dbraw/zinc/47/57/13/1345475713.db2.gz CHVQZLYTPKTQEQ-AZUAARDMSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041275530 1345691550 /nfs/dbraw/zinc/69/15/50/1345691550.db2.gz DYNWEHCRHJUSHV-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041275530 1345691552 /nfs/dbraw/zinc/69/15/52/1345691552.db2.gz DYNWEHCRHJUSHV-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041275530 1345691555 /nfs/dbraw/zinc/69/15/55/1345691555.db2.gz DYNWEHCRHJUSHV-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357154 1345708663 /nfs/dbraw/zinc/70/86/63/1345708663.db2.gz FGFCHSZYYKHUMD-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041357154 1345708665 /nfs/dbraw/zinc/70/86/65/1345708665.db2.gz FGFCHSZYYKHUMD-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041357154 1345708667 /nfs/dbraw/zinc/70/86/67/1345708667.db2.gz FGFCHSZYYKHUMD-CTNGQTDRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCCC3)C2)C1)[NH+](C)C ZINC001041379744 1345712529 /nfs/dbraw/zinc/71/25/29/1345712529.db2.gz SVGWAYNJELXWPQ-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CCCC2CCCC2)C1 ZINC001043198523 1346152488 /nfs/dbraw/zinc/15/24/88/1346152488.db2.gz SHMTZBCTDUNBTO-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CCCC2CCCC2)C1 ZINC001043198523 1346152489 /nfs/dbraw/zinc/15/24/89/1346152489.db2.gz SHMTZBCTDUNBTO-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CCC2=CCCCC2)C1 ZINC001044005237 1346232291 /nfs/dbraw/zinc/23/22/91/1346232291.db2.gz CITSWINXVHUKBP-FQEVSTJZSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CCC2=CCCCC2)C1 ZINC001044005237 1346232294 /nfs/dbraw/zinc/23/22/94/1346232294.db2.gz CITSWINXVHUKBP-FQEVSTJZSA-N 2 1 347.547 3.282 20 0 EGADMP CN(C(=O)c1ccc(C[NH+](C)C)cc1)C1C[NH+](CC2=CCCCC2)C1 ZINC001044053613 1346240009 /nfs/dbraw/zinc/24/00/09/1346240009.db2.gz AEDVWCPNUQYFRE-UHFFFAOYSA-N 2 1 341.499 3.005 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045075683 1346490250 /nfs/dbraw/zinc/49/02/50/1346490250.db2.gz FBPQRFUARYHXFY-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001045093163 1346493392 /nfs/dbraw/zinc/49/33/92/1346493392.db2.gz PDSONKBGAQOXBS-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001045093539 1346494034 /nfs/dbraw/zinc/49/40/34/1346494034.db2.gz YUXRETFUVZBFDX-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001045534334 1346620115 /nfs/dbraw/zinc/62/01/15/1346620115.db2.gz JUKVEKRZRWRNCJ-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001045790372 1346699250 /nfs/dbraw/zinc/69/92/50/1346699250.db2.gz HYYUYGKVWHSLJU-QYZOEREBSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001045790372 1346699255 /nfs/dbraw/zinc/69/92/55/1346699255.db2.gz HYYUYGKVWHSLJU-QYZOEREBSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001045790372 1346699259 /nfs/dbraw/zinc/69/92/59/1346699259.db2.gz HYYUYGKVWHSLJU-QYZOEREBSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1)[NH+](C)C ZINC001045802550 1346702420 /nfs/dbraw/zinc/70/24/20/1346702420.db2.gz GKIGDKXXEMHMCY-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C)[NH+](C)C ZINC001045841566 1346716928 /nfs/dbraw/zinc/71/69/28/1346716928.db2.gz BXNYAAFTAYDLLC-FGTMMUONSA-N 2 1 337.552 3.074 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001045847631 1346720237 /nfs/dbraw/zinc/72/02/37/1346720237.db2.gz LMPVDBZZGMHFAG-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001045847631 1346720240 /nfs/dbraw/zinc/72/02/40/1346720240.db2.gz LMPVDBZZGMHFAG-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001045847631 1346720242 /nfs/dbraw/zinc/72/02/42/1346720242.db2.gz LMPVDBZZGMHFAG-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958628 1346793369 /nfs/dbraw/zinc/79/33/69/1346793369.db2.gz UWJJGHYLUJRFQF-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001045967539 1346801983 /nfs/dbraw/zinc/80/19/83/1346801983.db2.gz WYODUXZBQGENDS-FPOVZHCZSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045967539 1346801987 /nfs/dbraw/zinc/80/19/87/1346801987.db2.gz WYODUXZBQGENDS-FPOVZHCZSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045967539 1346801989 /nfs/dbraw/zinc/80/19/89/1346801989.db2.gz WYODUXZBQGENDS-FPOVZHCZSA-N 2 1 347.547 3.142 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045984759 1346825459 /nfs/dbraw/zinc/82/54/59/1346825459.db2.gz IFUHARCGYVZLPA-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001045984759 1346825460 /nfs/dbraw/zinc/82/54/60/1346825460.db2.gz IFUHARCGYVZLPA-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001045984759 1346825461 /nfs/dbraw/zinc/82/54/61/1346825461.db2.gz IFUHARCGYVZLPA-PZJWPPBQSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CCCC2CCC2)C1 ZINC001046316781 1346932543 /nfs/dbraw/zinc/93/25/43/1346932543.db2.gz RDQSKNJFNAACHH-QUCCMNQESA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CCCC2CCC2)C1 ZINC001046316781 1346932544 /nfs/dbraw/zinc/93/25/44/1346932544.db2.gz RDQSKNJFNAACHH-QUCCMNQESA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCCC2CCC2)C1 ZINC001046316781 1346932548 /nfs/dbraw/zinc/93/25/48/1346932548.db2.gz RDQSKNJFNAACHH-QUCCMNQESA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001046739862 1347078181 /nfs/dbraw/zinc/07/81/81/1347078181.db2.gz XHTGLISPQMFXBF-NRFANRHFSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]([NH2+]CC1CCC1)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001047890349 1347400269 /nfs/dbraw/zinc/40/02/69/1347400269.db2.gz ZMEAJZFNCMXQCW-FUHWJXTLSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048525208 1347577324 /nfs/dbraw/zinc/57/73/24/1347577324.db2.gz OYNBYTHSMLKJBP-LTFPLMDUSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[N@@H+]3C1)C2 ZINC001048525208 1347577329 /nfs/dbraw/zinc/57/73/29/1347577329.db2.gz OYNBYTHSMLKJBP-LTFPLMDUSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[N@H+]3C1)C2 ZINC001048525208 1347577330 /nfs/dbraw/zinc/57/73/30/1347577330.db2.gz OYNBYTHSMLKJBP-LTFPLMDUSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048583228 1347605745 /nfs/dbraw/zinc/60/57/45/1347605745.db2.gz GZDLNOOZECDUPS-LTFPLMDUSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001048609448 1347617146 /nfs/dbraw/zinc/61/71/46/1347617146.db2.gz ALMPCAPZOHIOCD-QWFCFKBJSA-N 2 1 349.563 3.314 20 0 EGADMP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001048615690 1347619539 /nfs/dbraw/zinc/61/95/39/1347619539.db2.gz LRKZWQWERHVOKT-QWFCFKBJSA-N 2 1 349.563 3.316 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(C)C ZINC001049483996 1347870694 /nfs/dbraw/zinc/87/06/94/1347870694.db2.gz DUBADXOMGDIPAS-KZNAEPCWSA-N 2 1 346.519 3.118 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(C)C ZINC001049483996 1347870695 /nfs/dbraw/zinc/87/06/95/1347870695.db2.gz DUBADXOMGDIPAS-KZNAEPCWSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CCCC1)[NH+](C)C ZINC001049532718 1347895165 /nfs/dbraw/zinc/89/51/65/1347895165.db2.gz JNMVWVYNHIRHDV-UFYCRDLUSA-N 2 1 349.563 3.218 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC1CCC1 ZINC001049551846 1347904834 /nfs/dbraw/zinc/90/48/34/1347904834.db2.gz JGFQTXNZTMZMFH-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC1CCC1 ZINC001049551846 1347904838 /nfs/dbraw/zinc/90/48/38/1347904838.db2.gz JGFQTXNZTMZMFH-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCC1CCC1 ZINC001049551846 1347904840 /nfs/dbraw/zinc/90/48/40/1347904840.db2.gz JGFQTXNZTMZMFH-XUVXKRRUSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1=CCCCC1 ZINC001049656098 1347958023 /nfs/dbraw/zinc/95/80/23/1347958023.db2.gz VKBXWNUTGJXCQM-ZCNNSNEGSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1=CCCCC1 ZINC001049656098 1347958025 /nfs/dbraw/zinc/95/80/25/1347958025.db2.gz VKBXWNUTGJXCQM-ZCNNSNEGSA-N 2 1 345.531 3.036 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1=CCCCC1 ZINC001049656098 1347958028 /nfs/dbraw/zinc/95/80/28/1347958028.db2.gz VKBXWNUTGJXCQM-ZCNNSNEGSA-N 2 1 345.531 3.036 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001049768090 1348011291 /nfs/dbraw/zinc/01/12/91/1348011291.db2.gz SKUKAKGKAHRMOY-ZCNNSNEGSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049768090 1348011294 /nfs/dbraw/zinc/01/12/94/1348011294.db2.gz SKUKAKGKAHRMOY-ZCNNSNEGSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049768090 1348011296 /nfs/dbraw/zinc/01/12/96/1348011296.db2.gz SKUKAKGKAHRMOY-ZCNNSNEGSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049915602 1348110065 /nfs/dbraw/zinc/11/00/65/1348110065.db2.gz XFSVBAVLIAATLH-VAMGGRTRSA-N 2 1 349.563 3.218 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC001049918892 1348112105 /nfs/dbraw/zinc/11/21/05/1348112105.db2.gz NHXJRPLYDLVICG-CEXWTWQISA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049918892 1348112107 /nfs/dbraw/zinc/11/21/07/1348112107.db2.gz NHXJRPLYDLVICG-CEXWTWQISA-N 2 1 349.563 3.362 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C ZINC001049918892 1348112109 /nfs/dbraw/zinc/11/21/09/1348112109.db2.gz NHXJRPLYDLVICG-CEXWTWQISA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCc2ccc([C@H](C)[NH2+]C(C)C)cc2)CC[N@H+]1C ZINC001050263044 1348222267 /nfs/dbraw/zinc/22/22/67/1348222267.db2.gz HJTSLDOZTGBYFW-ZYSHUDEJSA-N 2 1 331.504 3.092 20 0 EGADMP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001050333557 1348229924 /nfs/dbraw/zinc/22/99/24/1348229924.db2.gz YKIRBSIIBGZNMB-LNLFQRSKSA-N 2 1 335.536 3.066 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001050336256 1348230404 /nfs/dbraw/zinc/23/04/04/1348230404.db2.gz KJLFNBILADHLSM-WDSOQIARSA-N 2 1 349.563 3.172 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001050336254 1348230426 /nfs/dbraw/zinc/23/04/26/1348230426.db2.gz KJLFNBILADHLSM-BHIYHBOVSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3=CCCCC3)CC2)C1 ZINC001050368096 1348240518 /nfs/dbraw/zinc/24/05/18/1348240518.db2.gz RTCZIMZOWZPIBP-IHPCNDPISA-N 2 1 347.547 3.093 20 0 EGADMP CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)CC1 ZINC001050728182 1348339523 /nfs/dbraw/zinc/33/95/23/1348339523.db2.gz NGLRGKXOPBUPLG-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001050764749 1348352082 /nfs/dbraw/zinc/35/20/82/1348352082.db2.gz GOSYZKQXECKASN-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCC3CCC3)CC2)CC[N@H+]1C ZINC001052395207 1348539809 /nfs/dbraw/zinc/53/98/09/1348539809.db2.gz NBWJNLBSEAHLQD-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCCC3CCC3)CC2)CC[NH+]1C ZINC001052395207 1348539811 /nfs/dbraw/zinc/53/98/11/1348539811.db2.gz NBWJNLBSEAHLQD-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCCC3CCC3)CC2)CC[NH+]1C ZINC001052395207 1348539814 /nfs/dbraw/zinc/53/98/14/1348539814.db2.gz NBWJNLBSEAHLQD-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCC2CC2)CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001052447376 1348543992 /nfs/dbraw/zinc/54/39/92/1348543992.db2.gz CUEKYQKOUXTPLM-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CCC2CC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001052447376 1348543993 /nfs/dbraw/zinc/54/39/93/1348543993.db2.gz CUEKYQKOUXTPLM-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CCC2CC2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001052447376 1348543994 /nfs/dbraw/zinc/54/39/94/1348543994.db2.gz CUEKYQKOUXTPLM-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052651683 1348614497 /nfs/dbraw/zinc/61/44/97/1348614497.db2.gz LQNBPNMQKNVPIB-MJGOQNOKSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052651683 1348614500 /nfs/dbraw/zinc/61/45/00/1348614500.db2.gz LQNBPNMQKNVPIB-MJGOQNOKSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052651683 1348614502 /nfs/dbraw/zinc/61/45/02/1348614502.db2.gz LQNBPNMQKNVPIB-MJGOQNOKSA-N 2 1 335.536 3.163 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CCCC3CCC3)CC2)CC[N@H+]1C ZINC001052658378 1348617239 /nfs/dbraw/zinc/61/72/39/1348617239.db2.gz LURKIPKLNDNNQS-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CCCC3CCC3)CC2)CC[NH+]1C ZINC001052658378 1348617241 /nfs/dbraw/zinc/61/72/41/1348617241.db2.gz LURKIPKLNDNNQS-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCCC3CCC3)CC2)CC[NH+]1C ZINC001052658378 1348617243 /nfs/dbraw/zinc/61/72/43/1348617243.db2.gz LURKIPKLNDNNQS-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001052662547 1348617891 /nfs/dbraw/zinc/61/78/91/1348617891.db2.gz IRRYYWSMUYOTCY-SFHVURJKSA-N 2 1 349.519 3.362 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001052713542 1348645937 /nfs/dbraw/zinc/64/59/37/1348645937.db2.gz ZQJJYDKWYNCXCQ-ICSRJNTNSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCC3=CCCCC3)CC2)C1 ZINC001052713542 1348645939 /nfs/dbraw/zinc/64/59/39/1348645939.db2.gz ZQJJYDKWYNCXCQ-ICSRJNTNSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCC3=CCCCC3)CC2)C1 ZINC001052713542 1348645942 /nfs/dbraw/zinc/64/59/42/1348645942.db2.gz ZQJJYDKWYNCXCQ-ICSRJNTNSA-N 2 1 347.547 3.189 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CCCC3CCC3)CC2)C1 ZINC001052716706 1348646366 /nfs/dbraw/zinc/64/63/66/1348646366.db2.gz OXCMNBPWEFNFMP-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCCC3CCC3)CC2)C1 ZINC001052716706 1348646368 /nfs/dbraw/zinc/64/63/68/1348646368.db2.gz OXCMNBPWEFNFMP-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCCC3CCC3)CC2)C1 ZINC001052716706 1348646371 /nfs/dbraw/zinc/64/63/71/1348646371.db2.gz OXCMNBPWEFNFMP-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC3CCC3)CC2)cc1 ZINC001052787654 1348679550 /nfs/dbraw/zinc/67/95/50/1348679550.db2.gz LIOVHZUIOTVLLM-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC(C)C)CC1 ZINC001052858307 1348704317 /nfs/dbraw/zinc/70/43/17/1348704317.db2.gz BSTQTLCYISVKQG-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC(C)C)CC1 ZINC001052858307 1348704318 /nfs/dbraw/zinc/70/43/18/1348704318.db2.gz BSTQTLCYISVKQG-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC(C)C)CC1 ZINC001052858307 1348704320 /nfs/dbraw/zinc/70/43/20/1348704320.db2.gz BSTQTLCYISVKQG-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC)CC1 ZINC001052860426 1348705765 /nfs/dbraw/zinc/70/57/65/1348705765.db2.gz TZUMSYAZCVVVKI-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC)CC1 ZINC001052860426 1348705768 /nfs/dbraw/zinc/70/57/68/1348705768.db2.gz TZUMSYAZCVVVKI-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC)CC1 ZINC001052860426 1348705769 /nfs/dbraw/zinc/70/57/69/1348705769.db2.gz TZUMSYAZCVVVKI-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](CCC3CCCCC3)CC2)C1 ZINC001052867332 1348710695 /nfs/dbraw/zinc/71/06/95/1348710695.db2.gz LIQLWYPJXMRQLC-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@H+](CCC3CCCCC3)CC2)C1 ZINC001052867332 1348710700 /nfs/dbraw/zinc/71/07/00/1348710700.db2.gz LIQLWYPJXMRQLC-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@@H+](CCC3CCCCC3)CC2)C1 ZINC001052867332 1348710704 /nfs/dbraw/zinc/71/07/04/1348710704.db2.gz LIQLWYPJXMRQLC-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](CCC3CCCCC3)CC2)C1 ZINC001052867337 1348710876 /nfs/dbraw/zinc/71/08/76/1348710876.db2.gz LIQLWYPJXMRQLC-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@H+](CCC3CCCCC3)CC2)C1 ZINC001052867337 1348710880 /nfs/dbraw/zinc/71/08/80/1348710880.db2.gz LIQLWYPJXMRQLC-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@@H+](CCC3CCCCC3)CC2)C1 ZINC001052867337 1348710882 /nfs/dbraw/zinc/71/08/82/1348710882.db2.gz LIQLWYPJXMRQLC-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@@H+](CCC2CCCCCC2)CC1 ZINC001052938444 1348756620 /nfs/dbraw/zinc/75/66/20/1348756620.db2.gz XWQXYWSFMHXVJX-FQEVSTJZSA-N 2 1 349.563 3.413 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052955064 1348768278 /nfs/dbraw/zinc/76/82/78/1348768278.db2.gz YGWZEUXWPHVHFB-PXNSSMCTSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053047753 1348849758 /nfs/dbraw/zinc/84/97/58/1348849758.db2.gz RTTQHSLKYLPDCH-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053105074 1348940905 /nfs/dbraw/zinc/94/09/05/1348940905.db2.gz LGICKFMARJMIEQ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CCCC3)C2)C1)[NH+](C)C ZINC001054154047 1349157173 /nfs/dbraw/zinc/15/71/73/1349157173.db2.gz PRQXWDAAUUTLRI-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001054153477 1349157413 /nfs/dbraw/zinc/15/74/13/1349157413.db2.gz RMZHKRCBEUTBNA-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001054153477 1349157414 /nfs/dbraw/zinc/15/74/14/1349157414.db2.gz RMZHKRCBEUTBNA-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001054153477 1349157417 /nfs/dbraw/zinc/15/74/17/1349157417.db2.gz RMZHKRCBEUTBNA-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[NH+](C(C)C)C2)C1 ZINC001054226481 1349221113 /nfs/dbraw/zinc/22/11/13/1349221113.db2.gz QUXLZVTVANCLQF-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001054226481 1349221117 /nfs/dbraw/zinc/22/11/17/1349221117.db2.gz QUXLZVTVANCLQF-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001054226481 1349221119 /nfs/dbraw/zinc/22/11/19/1349221119.db2.gz QUXLZVTVANCLQF-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)c3ccc4c[nH+]cn4c3C)cc2C1 ZINC001054270841 1349270490 /nfs/dbraw/zinc/27/04/90/1349270490.db2.gz BZHSKJAAFFSVSP-UHFFFAOYSA-N 2 1 348.450 3.298 20 0 EGADMP CC(C)C[N@H+]1Cc2ccc(CNC(=O)c3ccc4c[nH+]cn4c3)cc2C1 ZINC001054274448 1349274971 /nfs/dbraw/zinc/27/49/71/1349274971.db2.gz FRZIQSMZIXXTKX-UHFFFAOYSA-N 2 1 348.450 3.236 20 0 EGADMP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001054740572 1349451284 /nfs/dbraw/zinc/45/12/84/1349451284.db2.gz WHIQAJNDNAAFQW-QFBILLFUSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001054740574 1349451484 /nfs/dbraw/zinc/45/14/84/1349451484.db2.gz WHIQAJNDNAAFQW-VQIMIIECSA-N 2 1 349.563 3.124 20 0 EGADMP FC1(C[N@H+]2CC[C@H](c3ccc(Br)cc3)C2)CC[NH2+]CC1 ZINC001235883183 1376909221 /nfs/dbraw/zinc/90/92/21/1376909221.db2.gz ZHJOOSBCMVRPIN-AWEZNQCLSA-N 2 1 341.268 3.330 20 0 EGADMP C[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001080456019 1357625040 /nfs/dbraw/zinc/62/50/40/1357625040.db2.gz IHWYSEOMBZDJAR-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001080456019 1357625044 /nfs/dbraw/zinc/62/50/44/1357625044.db2.gz IHWYSEOMBZDJAR-IEBWSBKVSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554428 1357677003 /nfs/dbraw/zinc/67/70/03/1357677003.db2.gz OVNUVQXBENIKAT-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[N@H+]1CC1CCC1 ZINC001071508465 1354734038 /nfs/dbraw/zinc/73/40/38/1354734038.db2.gz OKPXWQYIXQKENE-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001071646445 1354823618 /nfs/dbraw/zinc/82/36/18/1354823618.db2.gz YLKVCPILPVMLOH-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CCC1CCCC1 ZINC001071645214 1354824315 /nfs/dbraw/zinc/82/43/15/1354824315.db2.gz HSSLECAZZDOZIR-PKOBYXMFSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CC1CC(C)(C)C1 ZINC001071819242 1354960025 /nfs/dbraw/zinc/96/00/25/1354960025.db2.gz STWMTKMHVOKKMD-WMZOPIPTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CC1CC(C)(C)C1 ZINC001071819242 1354960030 /nfs/dbraw/zinc/96/00/30/1354960030.db2.gz STWMTKMHVOKKMD-WMZOPIPTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CC1CC(C)(C)C1 ZINC001071819242 1354960035 /nfs/dbraw/zinc/96/00/35/1354960035.db2.gz STWMTKMHVOKKMD-WMZOPIPTSA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001071868667 1354994203 /nfs/dbraw/zinc/99/42/03/1354994203.db2.gz MELTXMLUFJGEBA-AEFFLSMTSA-N 2 1 348.535 3.412 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001071868667 1354994208 /nfs/dbraw/zinc/99/42/08/1354994208.db2.gz MELTXMLUFJGEBA-AEFFLSMTSA-N 2 1 348.535 3.412 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CC1CCC2(CC2)CC1 ZINC001072081454 1355119043 /nfs/dbraw/zinc/11/90/43/1355119043.db2.gz MAHONLKMUMLRIY-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CCC1CCCCC1 ZINC001072081869 1355119343 /nfs/dbraw/zinc/11/93/43/1355119343.db2.gz UDOVMHJPHLWFLD-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073462193 1355795690 /nfs/dbraw/zinc/79/56/90/1355795690.db2.gz OAEZGFHWIHALGB-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH+](C)CC1CCCC1 ZINC001074014678 1356036347 /nfs/dbraw/zinc/03/63/47/1356036347.db2.gz HUFNFTZBGUVPNA-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC001074014678 1356036349 /nfs/dbraw/zinc/03/63/49/1356036349.db2.gz HUFNFTZBGUVPNA-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC001074014678 1356036354 /nfs/dbraw/zinc/03/63/54/1356036354.db2.gz HUFNFTZBGUVPNA-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001074693450 1356224170 /nfs/dbraw/zinc/22/41/70/1356224170.db2.gz ASZSPZVCXONMCS-WDSOQIARSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)[C@@H]1C ZINC001074686013 1356224238 /nfs/dbraw/zinc/22/42/38/1356224238.db2.gz HCFNUAGJWHLXTQ-SXLOBPIMSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461633 1356395357 /nfs/dbraw/zinc/39/53/57/1356395357.db2.gz NGOYVTSBUHERGA-LJQANCHMSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCC(C)(C)C)C[C@H]32)C1 ZINC001076161940 1356510499 /nfs/dbraw/zinc/51/04/99/1356510499.db2.gz WLOHGVAMKSUXPM-IPMKNSEASA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCC(C)(C)C)C[C@H]32)C1 ZINC001076161940 1356510500 /nfs/dbraw/zinc/51/05/00/1356510500.db2.gz WLOHGVAMKSUXPM-IPMKNSEASA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCC(C)(C)C)C[C@H]32)C1 ZINC001076161940 1356510501 /nfs/dbraw/zinc/51/05/01/1356510501.db2.gz WLOHGVAMKSUXPM-IPMKNSEASA-N 2 1 349.563 3.077 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001183254733 1387285908 /nfs/dbraw/zinc/28/59/08/1387285908.db2.gz DSLUVULHZDYGLX-LXORQPIJSA-N 2 1 335.536 3.186 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1CC ZINC001323142413 1387300178 /nfs/dbraw/zinc/30/01/78/1387300178.db2.gz IZTXJKJFUPJWIA-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476437 1358222776 /nfs/dbraw/zinc/22/27/76/1358222776.db2.gz YFCARTVXQDXGQM-VAMGGRTRSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001084476437 1358222778 /nfs/dbraw/zinc/22/27/78/1358222778.db2.gz YFCARTVXQDXGQM-VAMGGRTRSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001084476437 1358222782 /nfs/dbraw/zinc/22/27/82/1358222782.db2.gz YFCARTVXQDXGQM-VAMGGRTRSA-N 2 1 349.563 3.076 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944361 1358352886 /nfs/dbraw/zinc/35/28/86/1358352886.db2.gz JNFADRPUZMMLJA-KURKYZTESA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944361 1358352888 /nfs/dbraw/zinc/35/28/88/1358352888.db2.gz JNFADRPUZMMLJA-KURKYZTESA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084958370 1358354600 /nfs/dbraw/zinc/35/46/00/1358354600.db2.gz WSZGSONILMCEQO-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001084958370 1358354606 /nfs/dbraw/zinc/35/46/06/1358354606.db2.gz WSZGSONILMCEQO-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001084958370 1358354607 /nfs/dbraw/zinc/35/46/07/1358354607.db2.gz WSZGSONILMCEQO-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001085275179 1358448736 /nfs/dbraw/zinc/44/87/36/1358448736.db2.gz SPSSAZDBJQBOOY-RTBURBONSA-N 2 1 344.503 3.099 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCCC2)C1 ZINC001085332620 1358470385 /nfs/dbraw/zinc/47/03/85/1358470385.db2.gz GAFBPOJACUFVEO-MISYRCLQSA-N 2 1 349.563 3.316 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(C)C ZINC001085389559 1358486069 /nfs/dbraw/zinc/48/60/69/1358486069.db2.gz MYNFYNYAIQTAPA-GUDVDZBRSA-N 2 1 337.552 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001085628850 1358646525 /nfs/dbraw/zinc/64/65/25/1358646525.db2.gz GOLYLETVUBQGJY-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001085628850 1358646530 /nfs/dbraw/zinc/64/65/30/1358646530.db2.gz GOLYLETVUBQGJY-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCCC1 ZINC001085628850 1358646534 /nfs/dbraw/zinc/64/65/34/1358646534.db2.gz GOLYLETVUBQGJY-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCC(C)(C)C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085638842 1358652274 /nfs/dbraw/zinc/65/22/74/1358652274.db2.gz BSKBECCNEAZCHF-RTBURBONSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C[C@H]1CC[NH+]1CCC(C)(C)C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085638842 1358652277 /nfs/dbraw/zinc/65/22/77/1358652277.db2.gz BSKBECCNEAZCHF-RTBURBONSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C[C@H]1CC[NH+]1CCC(C)(C)C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085638842 1358652281 /nfs/dbraw/zinc/65/22/81/1358652281.db2.gz BSKBECCNEAZCHF-RTBURBONSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CC1CCCCC1)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699004 1358693467 /nfs/dbraw/zinc/69/34/67/1358693467.db2.gz CWEXYUCIVRAINE-SFHVURJKSA-N 2 1 340.471 3.061 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2CCC(C)C)o1 ZINC001085994619 1358949730 /nfs/dbraw/zinc/94/97/30/1358949730.db2.gz PVHROLLUHJVBLC-QGZVFWFLSA-N 2 1 349.519 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086102476 1358997717 /nfs/dbraw/zinc/99/77/17/1358997717.db2.gz YLITVCQSWXQZQG-JYBIWHBTSA-N 2 1 343.515 3.106 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086278641 1359051710 /nfs/dbraw/zinc/05/17/10/1359051710.db2.gz GUSCUJYSEOQHTB-RAUXBKROSA-N 2 1 343.515 3.106 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001086278511 1359051971 /nfs/dbraw/zinc/05/19/71/1359051971.db2.gz ZETLGXRALUUQSF-HSALFYBXSA-N 2 1 347.547 3.236 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001086370958 1359079640 /nfs/dbraw/zinc/07/96/40/1359079640.db2.gz INJJAQHADOGEEV-LWYYNNOASA-N 2 1 347.547 3.092 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001086402132 1359087888 /nfs/dbraw/zinc/08/78/88/1359087888.db2.gz IZIFATPUVXVUOD-JPLJXNOCSA-N 2 1 343.515 3.025 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001087212459 1359322772 /nfs/dbraw/zinc/32/27/72/1359322772.db2.gz CIPVSVMCQWCCIJ-GGPKGHCWSA-N 2 1 347.547 3.045 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087306514 1359392760 /nfs/dbraw/zinc/39/27/60/1359392760.db2.gz JWRUFRSMBOCTBQ-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CC1CCC2(CC2)CC1 ZINC001087522871 1359509524 /nfs/dbraw/zinc/50/95/24/1359509524.db2.gz ALRLDSHGJRZPMX-OTWHNJEPSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC1CCC2(CC2)CC1 ZINC001087522871 1359509527 /nfs/dbraw/zinc/50/95/27/1359509527.db2.gz ALRLDSHGJRZPMX-OTWHNJEPSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CC1CCC2(CC2)CC1 ZINC001087522871 1359509530 /nfs/dbraw/zinc/50/95/30/1359509530.db2.gz ALRLDSHGJRZPMX-OTWHNJEPSA-N 2 1 347.547 3.020 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569770 1359535953 /nfs/dbraw/zinc/53/59/53/1359535953.db2.gz MHZSRHLTWYHMOL-OTWHNJEPSA-N 2 1 337.552 3.265 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087569770 1359535955 /nfs/dbraw/zinc/53/59/55/1359535955.db2.gz MHZSRHLTWYHMOL-OTWHNJEPSA-N 2 1 337.552 3.265 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087569770 1359535960 /nfs/dbraw/zinc/53/59/60/1359535960.db2.gz MHZSRHLTWYHMOL-OTWHNJEPSA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CC1CCCCC1 ZINC001087626099 1359562116 /nfs/dbraw/zinc/56/21/16/1359562116.db2.gz JROLDPSRCUZIFP-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CC1CCCCC1 ZINC001087626099 1359562117 /nfs/dbraw/zinc/56/21/17/1359562117.db2.gz JROLDPSRCUZIFP-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CC1CCCCC1 ZINC001087626099 1359562120 /nfs/dbraw/zinc/56/21/20/1359562120.db2.gz JROLDPSRCUZIFP-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CC1CCCCC1 ZINC001087626099 1359562123 /nfs/dbraw/zinc/56/21/23/1359562123.db2.gz JROLDPSRCUZIFP-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[N@H+]1CC=C(C)C ZINC001087634441 1359565030 /nfs/dbraw/zinc/56/50/30/1359565030.db2.gz FMWDAAUTDWEWGN-RBUKOAKNSA-N 2 1 340.471 3.192 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[N@H+]1CCC(C)C ZINC001087634656 1359565620 /nfs/dbraw/zinc/56/56/20/1359565620.db2.gz MLSHMIZNIQZMIH-RBUKOAKNSA-N 2 1 342.487 3.272 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC[N@H+]1CCC(C)C ZINC001087636423 1359565822 /nfs/dbraw/zinc/56/58/22/1359565822.db2.gz PPJIOZMEGHBRTP-OTWHNJEPSA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC[NH+]1CCC(C)C ZINC001087636423 1359565824 /nfs/dbraw/zinc/56/58/24/1359565824.db2.gz PPJIOZMEGHBRTP-OTWHNJEPSA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC[NH+]1CCC(C)C ZINC001087636423 1359565826 /nfs/dbraw/zinc/56/58/26/1359565826.db2.gz PPJIOZMEGHBRTP-OTWHNJEPSA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1CC1CCCC1 ZINC001087641826 1359567355 /nfs/dbraw/zinc/56/73/55/1359567355.db2.gz FJFIVDHGZHADPT-RBUKOAKNSA-N 2 1 340.471 3.107 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1Cc1csc(C)c1 ZINC001087726017 1359614489 /nfs/dbraw/zinc/61/44/89/1359614489.db2.gz OATOPVNEVCYPJV-JCGIZDLHSA-N 2 1 349.544 3.010 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1Cc1csc(C)c1 ZINC001087726017 1359614492 /nfs/dbraw/zinc/61/44/92/1359614492.db2.gz OATOPVNEVCYPJV-JCGIZDLHSA-N 2 1 349.544 3.010 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1Cc1csc(C)c1 ZINC001087726017 1359614495 /nfs/dbraw/zinc/61/44/95/1359614495.db2.gz OATOPVNEVCYPJV-JCGIZDLHSA-N 2 1 349.544 3.010 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1C/C=C/Cl ZINC001087762871 1359632977 /nfs/dbraw/zinc/63/29/77/1359632977.db2.gz RNEHAMWNWMCAEI-XMTSCWHASA-N 2 1 349.906 3.083 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC1CCCCCC1 ZINC001087796489 1359650601 /nfs/dbraw/zinc/65/06/01/1359650601.db2.gz BXMMQZMLURHTBN-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC1CCCCCC1 ZINC001087796489 1359650605 /nfs/dbraw/zinc/65/06/05/1359650605.db2.gz BXMMQZMLURHTBN-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC1CCCCCC1 ZINC001087796489 1359650609 /nfs/dbraw/zinc/65/06/09/1359650609.db2.gz BXMMQZMLURHTBN-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1c(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ccc2c[nH+]cn21 ZINC001323657147 1387417160 /nfs/dbraw/zinc/41/71/60/1387417160.db2.gz WMWNCKXNTJMLHP-DAYGRLMNSA-N 2 1 340.471 3.120 20 0 EGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCCCC[C@@H]([NH2+]CC2CC2)C1 ZINC001088327571 1359831242 /nfs/dbraw/zinc/83/12/42/1359831242.db2.gz QHROJFNSBIVYPJ-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CC(C)C)C2)C1 ZINC001088367435 1359851483 /nfs/dbraw/zinc/85/14/83/1359851483.db2.gz JXNMUOSVUAGOLR-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001088381604 1359865058 /nfs/dbraw/zinc/86/50/58/1359865058.db2.gz IUAHFFCIYFSNOT-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001088382622 1359865304 /nfs/dbraw/zinc/86/53/04/1359865304.db2.gz GZRVBMJUOXASGB-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001088394608 1359870706 /nfs/dbraw/zinc/87/07/06/1359870706.db2.gz KMBHNQMBDPBNLC-RTBURBONSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]C(C)C)C1 ZINC001088411907 1359883332 /nfs/dbraw/zinc/88/33/32/1359883332.db2.gz SVCRQAUYFDZFEV-MOPGFXCFSA-N 2 1 337.552 3.410 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)[C@@H]2C)ccc2c[nH+]cn21 ZINC001088688508 1360014025 /nfs/dbraw/zinc/01/40/25/1360014025.db2.gz ONKFXGHBQJKIDG-QAPCUYQASA-N 2 1 342.487 3.272 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)C)[C@@H]1C ZINC001088972208 1360120654 /nfs/dbraw/zinc/12/06/54/1360120654.db2.gz VQEMQHSPFDQSOV-QYZOEREBSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)C)[C@@H]1C ZINC001088972208 1360120657 /nfs/dbraw/zinc/12/06/57/1360120657.db2.gz VQEMQHSPFDQSOV-QYZOEREBSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)C)[C@@H]1C ZINC001088972208 1360120661 /nfs/dbraw/zinc/12/06/61/1360120661.db2.gz VQEMQHSPFDQSOV-QYZOEREBSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089381816 1360384147 /nfs/dbraw/zinc/38/41/47/1360384147.db2.gz OQYFEPHJKQUMIW-MOPGFXCFSA-N 2 1 349.563 3.432 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089381816 1360384150 /nfs/dbraw/zinc/38/41/50/1360384150.db2.gz OQYFEPHJKQUMIW-MOPGFXCFSA-N 2 1 349.563 3.432 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089381816 1360384152 /nfs/dbraw/zinc/38/41/52/1360384152.db2.gz OQYFEPHJKQUMIW-MOPGFXCFSA-N 2 1 349.563 3.432 20 0 EGADMP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC(C)(C)C1 ZINC001089386966 1360387605 /nfs/dbraw/zinc/38/76/05/1360387605.db2.gz WAZKIHFIIGYXFO-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC(C)(C)C1 ZINC001089386966 1360387606 /nfs/dbraw/zinc/38/76/06/1360387606.db2.gz WAZKIHFIIGYXFO-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC(C)(C)C1 ZINC001089386966 1360387609 /nfs/dbraw/zinc/38/76/09/1360387609.db2.gz WAZKIHFIIGYXFO-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089398797 1360398735 /nfs/dbraw/zinc/39/87/35/1360398735.db2.gz NUBFTRGTMFXXQB-OAHLLOKOSA-N 2 1 337.533 3.050 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089400650 1360400219 /nfs/dbraw/zinc/40/02/19/1360400219.db2.gz KEJYBYGNARXOQK-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001089400650 1360400222 /nfs/dbraw/zinc/40/02/22/1360400222.db2.gz KEJYBYGNARXOQK-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1 ZINC001089400650 1360400223 /nfs/dbraw/zinc/40/02/23/1360400223.db2.gz KEJYBYGNARXOQK-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401302 1360400562 /nfs/dbraw/zinc/40/05/62/1360400562.db2.gz RRRZCXRCYIQZLW-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089401302 1360400565 /nfs/dbraw/zinc/40/05/65/1360400565.db2.gz RRRZCXRCYIQZLW-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC(C)(C)C1 ZINC001089401302 1360400567 /nfs/dbraw/zinc/40/05/67/1360400567.db2.gz RRRZCXRCYIQZLW-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089458568 1360444742 /nfs/dbraw/zinc/44/47/42/1360444742.db2.gz MEGITGLFJJIHJY-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](CC2CCCC2)CC(C)(C)C1 ZINC001089492350 1360470235 /nfs/dbraw/zinc/47/02/35/1360470235.db2.gz HHWQINPZUYQSHV-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)CC(C)(C)C1 ZINC001089492350 1360470237 /nfs/dbraw/zinc/47/02/37/1360470237.db2.gz HHWQINPZUYQSHV-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)CC(C)(C)C1 ZINC001089492350 1360470238 /nfs/dbraw/zinc/47/02/38/1360470238.db2.gz HHWQINPZUYQSHV-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089540244 1360497214 /nfs/dbraw/zinc/49/72/14/1360497214.db2.gz SUOCBCYUIUKBEK-MRXNPFEDSA-N 2 1 346.519 3.168 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC(C)(C)C1 ZINC001089540244 1360497217 /nfs/dbraw/zinc/49/72/17/1360497217.db2.gz SUOCBCYUIUKBEK-MRXNPFEDSA-N 2 1 346.519 3.168 20 0 EGADMP CC1(C)C[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+](CC2=CCCCC2)C1 ZINC001089562558 1360509971 /nfs/dbraw/zinc/50/99/71/1360509971.db2.gz HTEDUPJHSJTVCR-IBGZPJMESA-N 2 1 347.547 3.189 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089564795 1360511638 /nfs/dbraw/zinc/51/16/38/1360511638.db2.gz JJWQDJAFDZTYHP-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC2)CC(C)(C)C1 ZINC001089564795 1360511640 /nfs/dbraw/zinc/51/16/40/1360511640.db2.gz JJWQDJAFDZTYHP-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1 ZINC001089564795 1360511642 /nfs/dbraw/zinc/51/16/42/1360511642.db2.gz JJWQDJAFDZTYHP-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCCCC1 ZINC001089615747 1360536212 /nfs/dbraw/zinc/53/62/12/1360536212.db2.gz BERDADAZIVNNJM-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCCCC1 ZINC001089615747 1360536216 /nfs/dbraw/zinc/53/62/16/1360536216.db2.gz BERDADAZIVNNJM-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCCCC1 ZINC001089615747 1360536219 /nfs/dbraw/zinc/53/62/19/1360536219.db2.gz BERDADAZIVNNJM-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CCC2)CC[N@H+]1C ZINC001089642203 1360555486 /nfs/dbraw/zinc/55/54/86/1360555486.db2.gz DZMOJEZXWNCPNT-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC2CCC2)CC[NH+]1C ZINC001089642203 1360555487 /nfs/dbraw/zinc/55/54/87/1360555487.db2.gz DZMOJEZXWNCPNT-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC2CCC2)CC[NH+]1C ZINC001089642203 1360555490 /nfs/dbraw/zinc/55/54/90/1360555490.db2.gz DZMOJEZXWNCPNT-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001089657565 1360569435 /nfs/dbraw/zinc/56/94/35/1360569435.db2.gz DUNBLAVSLUCANQ-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001089657565 1360569437 /nfs/dbraw/zinc/56/94/37/1360569437.db2.gz DUNBLAVSLUCANQ-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1 ZINC001089657565 1360569442 /nfs/dbraw/zinc/56/94/42/1360569442.db2.gz DUNBLAVSLUCANQ-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCCC1 ZINC001089657565 1360569446 /nfs/dbraw/zinc/56/94/46/1360569446.db2.gz DUNBLAVSLUCANQ-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089687667 1360593419 /nfs/dbraw/zinc/59/34/19/1360593419.db2.gz MRLCVZVJTUFROV-KRWDZBQOSA-N 2 1 349.519 3.362 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089687667 1360593420 /nfs/dbraw/zinc/59/34/20/1360593420.db2.gz MRLCVZVJTUFROV-KRWDZBQOSA-N 2 1 349.519 3.362 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC2CCCC2)CC1 ZINC001089690121 1360595849 /nfs/dbraw/zinc/59/58/49/1360595849.db2.gz LDYYRIMRQDBDSO-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001184577039 1387496719 /nfs/dbraw/zinc/49/67/19/1387496719.db2.gz KGOBQRIZYXYXLS-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H](N[C@@H]1CCCC[C@H]1[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC001323991984 1387505323 /nfs/dbraw/zinc/50/53/23/1387505323.db2.gz URARPPTWJTXGMX-PWIZWCRZSA-N 2 1 333.520 3.150 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676928 1361439791 /nfs/dbraw/zinc/43/97/91/1361439791.db2.gz PZBIXXFQVHTBRD-QWFCFKBJSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676928 1361439792 /nfs/dbraw/zinc/43/97/92/1361439792.db2.gz PZBIXXFQVHTBRD-QWFCFKBJSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676928 1361439794 /nfs/dbraw/zinc/43/97/94/1361439794.db2.gz PZBIXXFQVHTBRD-QWFCFKBJSA-N 2 1 347.547 3.044 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CCCC(C)C)[C@@H](C)C1 ZINC001184710986 1387516041 /nfs/dbraw/zinc/51/60/41/1387516041.db2.gz AUBXVNZYIQNRGV-ROUUACIJSA-N 2 1 339.568 3.227 20 0 EGADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001093835859 1361704133 /nfs/dbraw/zinc/70/41/33/1361704133.db2.gz MNTMDRZCBJCPAD-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CC1)CC2 ZINC001094414124 1361791086 /nfs/dbraw/zinc/79/10/86/1361791086.db2.gz UJVYYUZXHSKFCC-QKNQBKEWSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2 ZINC001094414124 1361791088 /nfs/dbraw/zinc/79/10/88/1361791088.db2.gz UJVYYUZXHSKFCC-QKNQBKEWSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2 ZINC001094414124 1361791090 /nfs/dbraw/zinc/79/10/90/1361791090.db2.gz UJVYYUZXHSKFCC-QKNQBKEWSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)C)CC2 ZINC001094429996 1361798885 /nfs/dbraw/zinc/79/88/85/1361798885.db2.gz CTXABMMIJVNOIQ-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)C)CC2 ZINC001094429996 1361798886 /nfs/dbraw/zinc/79/88/86/1361798886.db2.gz CTXABMMIJVNOIQ-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)C)CC2 ZINC001094429996 1361798888 /nfs/dbraw/zinc/79/88/88/1361798888.db2.gz CTXABMMIJVNOIQ-SFHLNBCPSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001095404938 1362129910 /nfs/dbraw/zinc/12/99/10/1362129910.db2.gz GZUDJNWTSRMRHL-XWSJACJDSA-N 2 1 335.536 3.017 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001095404938 1362129911 /nfs/dbraw/zinc/12/99/11/1362129911.db2.gz GZUDJNWTSRMRHL-XWSJACJDSA-N 2 1 335.536 3.017 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001095404938 1362129913 /nfs/dbraw/zinc/12/99/13/1362129913.db2.gz GZUDJNWTSRMRHL-XWSJACJDSA-N 2 1 335.536 3.017 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001095498732 1362157346 /nfs/dbraw/zinc/15/73/46/1362157346.db2.gz CCNWSQGLJBHBJO-VSZNYVQBSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001095498732 1362157348 /nfs/dbraw/zinc/15/73/48/1362157348.db2.gz CCNWSQGLJBHBJO-VSZNYVQBSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001095498732 1362157349 /nfs/dbraw/zinc/15/73/49/1362157349.db2.gz CCNWSQGLJBHBJO-VSZNYVQBSA-N 2 1 335.536 3.019 20 0 EGADMP Cc1sccc1C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001324214251 1387559822 /nfs/dbraw/zinc/55/98/22/1387559822.db2.gz SESXIFRWTFGUHF-UHFFFAOYSA-N 2 1 329.513 3.094 20 0 EGADMP CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184891401 1387556037 /nfs/dbraw/zinc/55/60/37/1387556037.db2.gz FVUBPQXADHGKFN-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCCC2)C1 ZINC001096348190 1362469610 /nfs/dbraw/zinc/46/96/10/1362469610.db2.gz FDWRDGFSKBUDJQ-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCCC2)C1 ZINC001096348190 1362469613 /nfs/dbraw/zinc/46/96/13/1362469613.db2.gz FDWRDGFSKBUDJQ-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCCC2)C1 ZINC001096348190 1362469616 /nfs/dbraw/zinc/46/96/16/1362469616.db2.gz FDWRDGFSKBUDJQ-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001096611123 1362595579 /nfs/dbraw/zinc/59/55/79/1362595579.db2.gz JBSLFWBFDDJSAV-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001096611123 1362595590 /nfs/dbraw/zinc/59/55/90/1362595590.db2.gz JBSLFWBFDDJSAV-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001096611123 1362595594 /nfs/dbraw/zinc/59/55/94/1362595594.db2.gz JBSLFWBFDDJSAV-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097079307 1362835608 /nfs/dbraw/zinc/83/56/08/1362835608.db2.gz ILKZKQVROFWDCS-NBYUQASBSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001097079307 1362835613 /nfs/dbraw/zinc/83/56/13/1362835613.db2.gz ILKZKQVROFWDCS-NBYUQASBSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001097079307 1362835619 /nfs/dbraw/zinc/83/56/19/1362835619.db2.gz ILKZKQVROFWDCS-NBYUQASBSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001097550934 1363054652 /nfs/dbraw/zinc/05/46/52/1363054652.db2.gz PHOTVYVWCGSUFT-NXHRZFHOSA-N 2 1 340.471 3.106 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001097848980 1363141478 /nfs/dbraw/zinc/14/14/78/1363141478.db2.gz YKMZWAVUZRAOLA-NBYUQASBSA-N 2 1 345.531 3.083 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1=CCCCC1 ZINC001097848980 1363141480 /nfs/dbraw/zinc/14/14/80/1363141480.db2.gz YKMZWAVUZRAOLA-NBYUQASBSA-N 2 1 345.531 3.083 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1=CCCCC1 ZINC001097848980 1363141485 /nfs/dbraw/zinc/14/14/85/1363141485.db2.gz YKMZWAVUZRAOLA-NBYUQASBSA-N 2 1 345.531 3.083 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001098037254 1363203720 /nfs/dbraw/zinc/20/37/20/1363203720.db2.gz CTTPCONQERVHCN-AQNXPRMDSA-N 2 1 341.499 3.050 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCCC2)C1 ZINC001098219440 1363258638 /nfs/dbraw/zinc/25/86/38/1363258638.db2.gz FDWRDGFSKBUDJQ-WTGUMLROSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCCC2)C1 ZINC001098219440 1363258641 /nfs/dbraw/zinc/25/86/41/1363258641.db2.gz FDWRDGFSKBUDJQ-WTGUMLROSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCCC2)C1 ZINC001098219440 1363258644 /nfs/dbraw/zinc/25/86/44/1363258644.db2.gz FDWRDGFSKBUDJQ-WTGUMLROSA-N 2 1 347.547 3.020 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCCC2)C1 ZINC001098219468 1363258795 /nfs/dbraw/zinc/25/87/95/1363258795.db2.gz GGFFGCIRKJVXBV-WTGUMLROSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCCC2)C1 ZINC001098219468 1363258797 /nfs/dbraw/zinc/25/87/97/1363258797.db2.gz GGFFGCIRKJVXBV-WTGUMLROSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCCC2)C1 ZINC001098219468 1363258800 /nfs/dbraw/zinc/25/88/00/1363258800.db2.gz GGFFGCIRKJVXBV-WTGUMLROSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098875066 1363501540 /nfs/dbraw/zinc/50/15/40/1363501540.db2.gz MEERVTWMGIHXHP-ZVDOUQERSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098875066 1363501542 /nfs/dbraw/zinc/50/15/42/1363501542.db2.gz MEERVTWMGIHXHP-ZVDOUQERSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001098875066 1363501543 /nfs/dbraw/zinc/50/15/43/1363501543.db2.gz MEERVTWMGIHXHP-ZVDOUQERSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCC1)C2 ZINC001098875162 1363501785 /nfs/dbraw/zinc/50/17/85/1363501785.db2.gz NECVMXBHDKJAJO-ZVDOUQERSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCC1)C2 ZINC001098875162 1363501789 /nfs/dbraw/zinc/50/17/89/1363501789.db2.gz NECVMXBHDKJAJO-ZVDOUQERSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCC1)C2 ZINC001098875162 1363501793 /nfs/dbraw/zinc/50/17/93/1363501793.db2.gz NECVMXBHDKJAJO-ZVDOUQERSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099031511 1363585107 /nfs/dbraw/zinc/58/51/07/1363585107.db2.gz WTEXHFPXBRMEPE-UWJYYQICSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001099031511 1363585110 /nfs/dbraw/zinc/58/51/10/1363585110.db2.gz WTEXHFPXBRMEPE-UWJYYQICSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001099031511 1363585113 /nfs/dbraw/zinc/58/51/13/1363585113.db2.gz WTEXHFPXBRMEPE-UWJYYQICSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](F)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130021 1363642128 /nfs/dbraw/zinc/64/21/28/1363642128.db2.gz HBWXENNQWCKLGI-HZPDHXFCSA-N 2 1 343.531 3.072 20 0 EGADMP CC[C@@H](F)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130021 1363642131 /nfs/dbraw/zinc/64/21/31/1363642131.db2.gz HBWXENNQWCKLGI-HZPDHXFCSA-N 2 1 343.531 3.072 20 0 EGADMP CC[C@@H](F)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)CC ZINC001099130021 1363642134 /nfs/dbraw/zinc/64/21/34/1363642134.db2.gz HBWXENNQWCKLGI-HZPDHXFCSA-N 2 1 343.531 3.072 20 0 EGADMP CC[C@@H](F)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001099130021 1363642137 /nfs/dbraw/zinc/64/21/37/1363642137.db2.gz HBWXENNQWCKLGI-HZPDHXFCSA-N 2 1 343.531 3.072 20 0 EGADMP CC(C)(C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCC1)[NH+]1CCCC1 ZINC001099166329 1363666393 /nfs/dbraw/zinc/66/63/93/1363666393.db2.gz UQERWUACNAOBOP-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC2CCCC2)CC1 ZINC001099194191 1363685646 /nfs/dbraw/zinc/68/56/46/1363685646.db2.gz LKSGDZJTHMJLCE-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001099198431 1363688063 /nfs/dbraw/zinc/68/80/63/1363688063.db2.gz AQPANSUHLFZNMX-ZEVQVBBLSA-N 2 1 337.552 3.291 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001099202703 1363690067 /nfs/dbraw/zinc/69/00/67/1363690067.db2.gz DYHNMUFFACUBJW-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1cccc(C[N@@H+]2CC(C)(C)CC[C@@H]2CNC(=O)CC[NH+](C)C)c1 ZINC001099202640 1363690245 /nfs/dbraw/zinc/69/02/45/1363690245.db2.gz CQGZRTBFJNNTIP-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001099269578 1363724438 /nfs/dbraw/zinc/72/44/38/1363724438.db2.gz AURXWPUEFQUUMQ-QZTJIDSGSA-N 2 1 339.568 3.370 20 0 EGADMP CCCCC[NH2+]C1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001100346169 1364086944 /nfs/dbraw/zinc/08/69/44/1364086944.db2.gz UDDXAEXHXPSQBY-KLAILNCOSA-N 2 1 334.508 3.071 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001100405749 1364104121 /nfs/dbraw/zinc/10/41/21/1364104121.db2.gz LGZIRLUTTLUOKL-SOAGJPPSSA-N 2 1 349.563 3.314 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001100599446 1364183530 /nfs/dbraw/zinc/18/35/30/1364183530.db2.gz WQWFTQUAUSFKET-VGYMBNPZSA-N 2 1 349.563 3.339 20 0 EGADMP CC(C)=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001100601912 1364184635 /nfs/dbraw/zinc/18/46/35/1364184635.db2.gz KCHCJPRNEZDQCW-QLOJAFMTSA-N 2 1 347.547 3.234 20 0 EGADMP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001100729402 1364238159 /nfs/dbraw/zinc/23/81/59/1364238159.db2.gz FCBFQSWVQCGDBO-CTWPCTMYSA-N 2 1 337.552 3.170 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC001100904802 1364324424 /nfs/dbraw/zinc/32/44/24/1364324424.db2.gz HUNKTOJSWQCSLJ-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001101034750 1364383169 /nfs/dbraw/zinc/38/31/69/1364383169.db2.gz IDQNUWATQHQMIE-LYBXBRPPSA-N 2 1 345.531 3.210 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001101287392 1364499837 /nfs/dbraw/zinc/49/98/37/1364499837.db2.gz JYPPOQLYDCGJGR-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@]2(C)C1 ZINC001101287392 1364499839 /nfs/dbraw/zinc/49/98/39/1364499839.db2.gz JYPPOQLYDCGJGR-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@]2(C)C1 ZINC001101287392 1364499842 /nfs/dbraw/zinc/49/98/42/1364499842.db2.gz JYPPOQLYDCGJGR-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC=C(C)C)C[C@@]2(C)C1)C(C)C ZINC001101397013 1364544830 /nfs/dbraw/zinc/54/48/30/1364544830.db2.gz VTYMDLWBJDZFIP-DYXWJJEUSA-N 2 1 349.563 3.099 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001101582298 1364634756 /nfs/dbraw/zinc/63/47/56/1364634756.db2.gz JGYAABZLKFLUKO-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C\CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001101594653 1364645629 /nfs/dbraw/zinc/64/56/29/1364645629.db2.gz JDMKWCFKRGCTNC-MJRGOJFPSA-N 2 1 349.563 3.149 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]C(C)C)CC1 ZINC001101597529 1364648201 /nfs/dbraw/zinc/64/82/01/1364648201.db2.gz OXAAPBRAYQTBTM-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001102021146 1364813821 /nfs/dbraw/zinc/81/38/21/1364813821.db2.gz IXFFZXNYHVOQDK-QSMUSEHHSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H](C)C1 ZINC001102021146 1364813823 /nfs/dbraw/zinc/81/38/23/1364813823.db2.gz IXFFZXNYHVOQDK-QSMUSEHHSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H](C)C1 ZINC001102021146 1364813825 /nfs/dbraw/zinc/81/38/25/1364813825.db2.gz IXFFZXNYHVOQDK-QSMUSEHHSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102217291 1364938983 /nfs/dbraw/zinc/93/89/83/1364938983.db2.gz XCADTQZPQTURGS-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473960 1365075130 /nfs/dbraw/zinc/07/51/30/1365075130.db2.gz YIOTZQMPUDOZIW-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001102600071 1365131909 /nfs/dbraw/zinc/13/19/09/1365131909.db2.gz KPEHHRRFLSUEQP-QSMUSEHHSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC001102600071 1365131911 /nfs/dbraw/zinc/13/19/11/1365131911.db2.gz KPEHHRRFLSUEQP-QSMUSEHHSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H](C)C1 ZINC001102600071 1365131914 /nfs/dbraw/zinc/13/19/14/1365131914.db2.gz KPEHHRRFLSUEQP-QSMUSEHHSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001102977038 1365324880 /nfs/dbraw/zinc/32/48/80/1365324880.db2.gz JXGZYNJVPOCBIV-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001102977038 1365324886 /nfs/dbraw/zinc/32/48/86/1365324886.db2.gz JXGZYNJVPOCBIV-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001102977038 1365324892 /nfs/dbraw/zinc/32/48/92/1365324892.db2.gz JXGZYNJVPOCBIV-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103085331 1365372904 /nfs/dbraw/zinc/37/29/04/1365372904.db2.gz QDYIWRQNQLNPQI-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001103103668 1365382021 /nfs/dbraw/zinc/38/20/21/1365382021.db2.gz RVZSLKHKAJFAJF-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCC2)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001103103668 1365382022 /nfs/dbraw/zinc/38/20/22/1365382022.db2.gz RVZSLKHKAJFAJF-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCC2)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001103103668 1365382023 /nfs/dbraw/zinc/38/20/23/1365382023.db2.gz RVZSLKHKAJFAJF-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001103433238 1365557288 /nfs/dbraw/zinc/55/72/88/1365557288.db2.gz AJRQEYRVCJYOJV-IVCWSTDESA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001103433238 1365557290 /nfs/dbraw/zinc/55/72/90/1365557290.db2.gz AJRQEYRVCJYOJV-IVCWSTDESA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001103433238 1365557292 /nfs/dbraw/zinc/55/72/92/1365557292.db2.gz AJRQEYRVCJYOJV-IVCWSTDESA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001103773679 1365777679 /nfs/dbraw/zinc/77/76/79/1365777679.db2.gz LBKLWFHOYGRIQZ-WOJBJXKFSA-N 2 1 349.563 3.293 20 0 EGADMP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104310750 1365979285 /nfs/dbraw/zinc/97/92/85/1365979285.db2.gz GSSSEISCRVFUKQ-BNLAEDIXSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104310753 1365979610 /nfs/dbraw/zinc/97/96/10/1365979610.db2.gz GSSSEISCRVFUKQ-SHOKJUJBSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104678845 1366128237 /nfs/dbraw/zinc/12/82/37/1366128237.db2.gz DVLVESFCRGAOQQ-PFRNKHFKSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001185751035 1387789726 /nfs/dbraw/zinc/78/97/26/1387789726.db2.gz NPQCWXIDKQEILU-QUCCMNQESA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001105067529 1366304594 /nfs/dbraw/zinc/30/45/94/1366304594.db2.gz GSEINLZKCQMAOQ-MISYRCLQSA-N 2 1 345.531 3.020 20 0 EGADMP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001105536966 1366516901 /nfs/dbraw/zinc/51/69/01/1366516901.db2.gz LKJGLIHWKVVVBQ-RTBURBONSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105544869 1366521535 /nfs/dbraw/zinc/52/15/35/1366521535.db2.gz WUKYBCNARKBOEI-OALUTQOASA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106715181 1366779284 /nfs/dbraw/zinc/77/92/84/1366779284.db2.gz APXIBMXUTZPHLF-QZTJIDSGSA-N 2 1 348.535 3.127 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C)c1ccccc1 ZINC001106839364 1366813444 /nfs/dbraw/zinc/81/34/44/1366813444.db2.gz DPEZCABMZDLOQZ-MISYRCLQSA-N 2 1 345.531 3.164 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439414 1366963659 /nfs/dbraw/zinc/96/36/59/1366963659.db2.gz ZZNQORQYQMJVJQ-NDMWVHFTSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107614021 1367073158 /nfs/dbraw/zinc/07/31/58/1367073158.db2.gz LKRNLHVBVGQZJO-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2 ZINC001107645291 1367090631 /nfs/dbraw/zinc/09/06/31/1367090631.db2.gz VQVOIRIRAVEENR-TZIWHRDSSA-N 2 1 347.547 3.023 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1)C1CC1 ZINC001109406034 1367107347 /nfs/dbraw/zinc/10/73/47/1367107347.db2.gz LMETVXWEDQBEQY-FUMNGEBKSA-N 2 1 347.547 3.019 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC3CCCCCC3)C[C@H]21 ZINC001189913722 1367130566 /nfs/dbraw/zinc/13/05/66/1367130566.db2.gz XQOQOCILHRLACV-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21 ZINC001189913722 1367130571 /nfs/dbraw/zinc/13/05/71/1367130571.db2.gz XQOQOCILHRLACV-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21 ZINC001189913722 1367130575 /nfs/dbraw/zinc/13/05/75/1367130575.db2.gz XQOQOCILHRLACV-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109471906 1367144057 /nfs/dbraw/zinc/14/40/57/1367144057.db2.gz OEWRGJOXTOCCSD-YSHGAJCASA-N 2 1 349.563 3.407 20 0 EGADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001109471906 1367144060 /nfs/dbraw/zinc/14/40/60/1367144060.db2.gz OEWRGJOXTOCCSD-YSHGAJCASA-N 2 1 349.563 3.407 20 0 EGADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001109471906 1367144064 /nfs/dbraw/zinc/14/40/64/1367144064.db2.gz OEWRGJOXTOCCSD-YSHGAJCASA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001190084470 1367168431 /nfs/dbraw/zinc/16/84/31/1367168431.db2.gz NWDBJGXQSKTQRS-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001190084470 1367168434 /nfs/dbraw/zinc/16/84/34/1367168434.db2.gz NWDBJGXQSKTQRS-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001190084470 1367168436 /nfs/dbraw/zinc/16/84/36/1367168436.db2.gz NWDBJGXQSKTQRS-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001186067489 1387858217 /nfs/dbraw/zinc/85/82/17/1387858217.db2.gz ISGYPLSIPJTHIQ-QGZVFWFLSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001109555495 1367195109 /nfs/dbraw/zinc/19/51/09/1367195109.db2.gz SXNOHFBOCORTNK-FYQPLNBISA-N 2 1 347.547 3.019 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001109635660 1367254989 /nfs/dbraw/zinc/25/49/89/1367254989.db2.gz MOWMTTMRYRJFPV-RDGPPVDQSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001109635660 1367254993 /nfs/dbraw/zinc/25/49/93/1367254993.db2.gz MOWMTTMRYRJFPV-RDGPPVDQSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001109635660 1367254996 /nfs/dbraw/zinc/25/49/96/1367254996.db2.gz MOWMTTMRYRJFPV-RDGPPVDQSA-N 2 1 335.536 3.020 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001190485365 1367274094 /nfs/dbraw/zinc/27/40/94/1367274094.db2.gz ZPOBMNVUJDWKEC-YMHTTXFNSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001190485365 1367274098 /nfs/dbraw/zinc/27/40/98/1367274098.db2.gz ZPOBMNVUJDWKEC-YMHTTXFNSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001190485365 1367274103 /nfs/dbraw/zinc/27/41/03/1367274103.db2.gz ZPOBMNVUJDWKEC-YMHTTXFNSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C)[NH+](C)C ZINC001109688625 1367283134 /nfs/dbraw/zinc/28/31/34/1367283134.db2.gz YSKWUNXKFUVIFP-VSZNYVQBSA-N 2 1 337.552 3.120 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190744600 1367340342 /nfs/dbraw/zinc/34/03/42/1367340342.db2.gz SJXLOBIFDLATDE-PWBPZBFBSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001190744600 1367340349 /nfs/dbraw/zinc/34/03/49/1367340349.db2.gz SJXLOBIFDLATDE-PWBPZBFBSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001190744600 1367340354 /nfs/dbraw/zinc/34/03/54/1367340354.db2.gz SJXLOBIFDLATDE-PWBPZBFBSA-N 2 1 335.536 3.140 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CC1 ZINC001109858131 1367363110 /nfs/dbraw/zinc/36/31/10/1367363110.db2.gz VYYPBQIGUIDORD-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1 ZINC001109858131 1367363114 /nfs/dbraw/zinc/36/31/14/1367363114.db2.gz VYYPBQIGUIDORD-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001109858131 1367363118 /nfs/dbraw/zinc/36/31/18/1367363118.db2.gz VYYPBQIGUIDORD-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918574 1367403552 /nfs/dbraw/zinc/40/35/52/1367403552.db2.gz PEHABZPWLMHZEP-AABGKKOBSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191061541 1367413588 /nfs/dbraw/zinc/41/35/88/1367413588.db2.gz LRQVCKHNDCJLNN-WMZOPIPTSA-N 2 1 337.552 3.218 20 0 EGADMP CC[C@H](C)C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001191061541 1367413590 /nfs/dbraw/zinc/41/35/90/1367413590.db2.gz LRQVCKHNDCJLNN-WMZOPIPTSA-N 2 1 337.552 3.218 20 0 EGADMP CC[C@H](C)C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001191061541 1367413593 /nfs/dbraw/zinc/41/35/93/1367413593.db2.gz LRQVCKHNDCJLNN-WMZOPIPTSA-N 2 1 337.552 3.218 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001110014879 1367458342 /nfs/dbraw/zinc/45/83/42/1367458342.db2.gz MWNLPEJMDSSTRD-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001110014879 1367458344 /nfs/dbraw/zinc/45/83/44/1367458344.db2.gz MWNLPEJMDSSTRD-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001110014879 1367458348 /nfs/dbraw/zinc/45/83/48/1367458348.db2.gz MWNLPEJMDSSTRD-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191543806 1367525442 /nfs/dbraw/zinc/52/54/42/1367525442.db2.gz SVPBYDXLJHNFGM-RURPWVQCSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148085 1367526019 /nfs/dbraw/zinc/52/60/19/1367526019.db2.gz IHMJQZWTVZMIHM-ZRNYENFQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1)[NH+]1CCCCC1 ZINC001110158666 1367530312 /nfs/dbraw/zinc/53/03/12/1367530312.db2.gz SHMWKZPXNWESBB-FUMNGEBKSA-N 2 1 347.547 3.019 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CC)C2 ZINC001108794092 1367600228 /nfs/dbraw/zinc/60/02/28/1367600228.db2.gz NZCHEKZRFXXQTO-BKFNIVOESA-N 2 1 335.536 3.044 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192325622 1367752749 /nfs/dbraw/zinc/75/27/49/1367752749.db2.gz MGRCHCHWTLMSTQ-ROUUACIJSA-N 2 1 325.541 3.076 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1)[NH+](CC)CC ZINC001192325085 1367752919 /nfs/dbraw/zinc/75/29/19/1367752919.db2.gz JSCKPKMPNYARPU-IRXDYDNUSA-N 2 1 325.541 3.076 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(C)C ZINC001110578560 1367846011 /nfs/dbraw/zinc/84/60/11/1367846011.db2.gz MQTYTUDDXFNOPK-TVFCKZIOSA-N 2 1 344.503 3.084 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001110578560 1367846014 /nfs/dbraw/zinc/84/60/14/1367846014.db2.gz MQTYTUDDXFNOPK-TVFCKZIOSA-N 2 1 344.503 3.084 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280754 1367988988 /nfs/dbraw/zinc/98/89/88/1367988988.db2.gz XPGBQKLAODASJX-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193280754 1367988991 /nfs/dbraw/zinc/98/89/91/1367988991.db2.gz XPGBQKLAODASJX-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193280754 1367989000 /nfs/dbraw/zinc/98/90/00/1367989000.db2.gz XPGBQKLAODASJX-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280758 1367989308 /nfs/dbraw/zinc/98/93/08/1367989308.db2.gz XPGBQKLAODASJX-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193280758 1367989315 /nfs/dbraw/zinc/98/93/15/1367989315.db2.gz XPGBQKLAODASJX-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193280758 1367989318 /nfs/dbraw/zinc/98/93/18/1367989318.db2.gz XPGBQKLAODASJX-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110857849 1368038338 /nfs/dbraw/zinc/03/83/38/1368038338.db2.gz SWGKTUCBJZNCTC-AQNXPRMDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001110857849 1368038340 /nfs/dbraw/zinc/03/83/40/1368038340.db2.gz SWGKTUCBJZNCTC-AQNXPRMDSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001110857849 1368038343 /nfs/dbraw/zinc/03/83/43/1368038343.db2.gz SWGKTUCBJZNCTC-AQNXPRMDSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110857749 1368038441 /nfs/dbraw/zinc/03/84/41/1368038441.db2.gz PILRIRWPJDIEPN-NBYUQASBSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001110857749 1368038445 /nfs/dbraw/zinc/03/84/45/1368038445.db2.gz PILRIRWPJDIEPN-NBYUQASBSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001110857749 1368038449 /nfs/dbraw/zinc/03/84/49/1368038449.db2.gz PILRIRWPJDIEPN-NBYUQASBSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558964 1368061353 /nfs/dbraw/zinc/06/13/53/1368061353.db2.gz FVWLLIXCRXLSJD-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099664 1368158864 /nfs/dbraw/zinc/15/88/64/1368158864.db2.gz QWWKQWKTXBENIS-NBYUQASBSA-N 2 1 349.563 3.122 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111217350 1368195870 /nfs/dbraw/zinc/19/58/70/1368195870.db2.gz SYNHFVSRVNKDAD-QFTWQFLFSA-N 2 1 347.547 3.185 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1cccc(C)c1 ZINC001111235064 1368210653 /nfs/dbraw/zinc/21/06/53/1368210653.db2.gz XKKSAZYENAGHQP-AFYVEPGGSA-N 2 1 343.515 3.119 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1cccc(C)c1 ZINC001111235064 1368210659 /nfs/dbraw/zinc/21/06/59/1368210659.db2.gz XKKSAZYENAGHQP-AFYVEPGGSA-N 2 1 343.515 3.119 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1cccc(C)c1 ZINC001111235064 1368210664 /nfs/dbraw/zinc/21/06/64/1368210664.db2.gz XKKSAZYENAGHQP-AFYVEPGGSA-N 2 1 343.515 3.119 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCCC2)C1 ZINC001194266251 1368219894 /nfs/dbraw/zinc/21/98/94/1368219894.db2.gz MWZCEZCFGRTBSB-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001194266251 1368219900 /nfs/dbraw/zinc/21/99/00/1368219900.db2.gz MWZCEZCFGRTBSB-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001194266251 1368219903 /nfs/dbraw/zinc/21/99/03/1368219903.db2.gz MWZCEZCFGRTBSB-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274224 1368221942 /nfs/dbraw/zinc/22/19/42/1368221942.db2.gz GCGVKPJXHQXLLA-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274224 1368221946 /nfs/dbraw/zinc/22/19/46/1368221946.db2.gz GCGVKPJXHQXLLA-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1cccc(C)c1 ZINC001111312577 1368262307 /nfs/dbraw/zinc/26/23/07/1368262307.db2.gz NYLPFNUJGNYRLL-NBYUQASBSA-N 2 1 343.515 3.119 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1cccc(C)c1 ZINC001111312577 1368262309 /nfs/dbraw/zinc/26/23/09/1368262309.db2.gz NYLPFNUJGNYRLL-NBYUQASBSA-N 2 1 343.515 3.119 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1cccc(C)c1 ZINC001111312577 1368262315 /nfs/dbraw/zinc/26/23/15/1368262315.db2.gz NYLPFNUJGNYRLL-NBYUQASBSA-N 2 1 343.515 3.119 20 0 EGADMP C[NH+](CCC(C)(C)C)[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194448350 1368264255 /nfs/dbraw/zinc/26/42/55/1368264255.db2.gz CFZAEMCVHCWPKO-LJQANCHMSA-N 2 1 345.531 3.087 20 0 EGADMP C[NH+](CCC(C)(C)C)[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194448350 1368264260 /nfs/dbraw/zinc/26/42/60/1368264260.db2.gz CFZAEMCVHCWPKO-LJQANCHMSA-N 2 1 345.531 3.087 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1)Cc1ccccc1 ZINC001194448350 1368264263 /nfs/dbraw/zinc/26/42/63/1368264263.db2.gz CFZAEMCVHCWPKO-LJQANCHMSA-N 2 1 345.531 3.087 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1)Cc1ccccc1 ZINC001194448350 1368264268 /nfs/dbraw/zinc/26/42/68/1368264268.db2.gz CFZAEMCVHCWPKO-LJQANCHMSA-N 2 1 345.531 3.087 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111457848 1368310406 /nfs/dbraw/zinc/31/04/06/1368310406.db2.gz QVFRZYYGIBHETA-QRVBRYPASA-N 2 1 335.536 3.164 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001111457721 1368310605 /nfs/dbraw/zinc/31/06/05/1368310605.db2.gz LTRTWECJWRILLF-AQNXPRMDSA-N 2 1 347.547 3.164 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467632 1368311166 /nfs/dbraw/zinc/31/11/66/1368311166.db2.gz QPZJFZCOPGRVHM-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH2+][C@H](C)CC[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC001325320505 1387933242 /nfs/dbraw/zinc/93/32/42/1387933242.db2.gz QSMHNIVCBAVECI-OAHLLOKOSA-N 2 1 341.455 3.035 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001186412593 1387937466 /nfs/dbraw/zinc/93/74/66/1387937466.db2.gz QFINYUHKSJQMLE-LJQANCHMSA-N 2 1 335.536 3.189 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001111740779 1368437635 /nfs/dbraw/zinc/43/76/35/1368437635.db2.gz NNCQICLFPSTHQE-XIHJCQGWSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001111740779 1368437639 /nfs/dbraw/zinc/43/76/39/1368437639.db2.gz NNCQICLFPSTHQE-XIHJCQGWSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001111740779 1368437641 /nfs/dbraw/zinc/43/76/41/1368437641.db2.gz NNCQICLFPSTHQE-XIHJCQGWSA-N 2 1 347.547 3.186 20 0 EGADMP CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001111753916 1368444734 /nfs/dbraw/zinc/44/47/34/1368444734.db2.gz CHLIUGCRVBYQIW-ZWOKBUDYSA-N 2 1 346.519 3.167 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001111753916 1368444737 /nfs/dbraw/zinc/44/47/37/1368444737.db2.gz CHLIUGCRVBYQIW-ZWOKBUDYSA-N 2 1 346.519 3.167 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001111870612 1368518043 /nfs/dbraw/zinc/51/80/43/1368518043.db2.gz GQTLNDAALUIPSR-WHGMVNQHSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001111870612 1368518048 /nfs/dbraw/zinc/51/80/48/1368518048.db2.gz GQTLNDAALUIPSR-WHGMVNQHSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001111870612 1368518050 /nfs/dbraw/zinc/51/80/50/1368518050.db2.gz GQTLNDAALUIPSR-WHGMVNQHSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001196201321 1368567189 /nfs/dbraw/zinc/56/71/89/1368567189.db2.gz YETPXCZIXDUFBE-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001196201321 1368567192 /nfs/dbraw/zinc/56/71/92/1368567192.db2.gz YETPXCZIXDUFBE-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001196201321 1368567195 /nfs/dbraw/zinc/56/71/95/1368567195.db2.gz YETPXCZIXDUFBE-RTBURBONSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC1CCC1)C2 ZINC001111947611 1368570607 /nfs/dbraw/zinc/57/06/07/1368570607.db2.gz RMYAMBOIADYMRJ-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)[C@H](CC(C)C)n2ccnc2)CC1 ZINC001196242499 1368574389 /nfs/dbraw/zinc/57/43/89/1368574389.db2.gz KAYJYWBBGAWGPN-UEKDZROGSA-N 2 1 346.519 3.361 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001196276242 1368582869 /nfs/dbraw/zinc/58/28/69/1368582869.db2.gz WDDUVRMSBGITNA-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001196340075 1368592718 /nfs/dbraw/zinc/59/27/18/1368592718.db2.gz DTDRSFWRYGXOIS-UHFFFAOYSA-N 2 1 325.541 3.077 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001196340075 1368592723 /nfs/dbraw/zinc/59/27/23/1368592723.db2.gz DTDRSFWRYGXOIS-UHFFFAOYSA-N 2 1 325.541 3.077 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+](Cc2cc(C)ccc2C)CC1 ZINC001196341476 1368593039 /nfs/dbraw/zinc/59/30/39/1368593039.db2.gz PVQCORGVUMJTLR-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+](Cc2cc(C)ccc2C)CC1 ZINC001196341476 1368593041 /nfs/dbraw/zinc/59/30/41/1368593041.db2.gz PVQCORGVUMJTLR-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112020399 1368623254 /nfs/dbraw/zinc/62/32/54/1368623254.db2.gz DHNYXLAMJCQTCJ-FPOVZHCZSA-N 2 1 349.563 3.413 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001196620463 1368650915 /nfs/dbraw/zinc/65/09/15/1368650915.db2.gz ZLMAALPRTVYFDO-UHFFFAOYSA-N 2 1 345.531 3.129 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001196890619 1368707936 /nfs/dbraw/zinc/70/79/36/1368707936.db2.gz TYHNPNJGQSVVDQ-PXDRNWIDSA-N 2 1 349.563 3.389 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001196890619 1368707939 /nfs/dbraw/zinc/70/79/39/1368707939.db2.gz TYHNPNJGQSVVDQ-PXDRNWIDSA-N 2 1 349.563 3.389 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001196890619 1368707944 /nfs/dbraw/zinc/70/79/44/1368707944.db2.gz TYHNPNJGQSVVDQ-PXDRNWIDSA-N 2 1 349.563 3.389 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC001197898484 1368921687 /nfs/dbraw/zinc/92/16/87/1368921687.db2.gz DVNFGQKNNGKJRW-LJQANCHMSA-N 2 1 345.531 3.322 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@H](C)c2cccc(C)c2)CC1 ZINC001197898484 1368921691 /nfs/dbraw/zinc/92/16/91/1368921691.db2.gz DVNFGQKNNGKJRW-LJQANCHMSA-N 2 1 345.531 3.322 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@H+]([C@H](C)c2cccc(C)c2)CC1 ZINC001197898484 1368921693 /nfs/dbraw/zinc/92/16/93/1368921693.db2.gz DVNFGQKNNGKJRW-LJQANCHMSA-N 2 1 345.531 3.322 20 0 EGADMP CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CCC)C2 ZINC001112567527 1368930979 /nfs/dbraw/zinc/93/09/79/1368930979.db2.gz UYQPPSLOTWBHRB-OIDOJQHXSA-N 2 1 349.563 3.293 20 0 EGADMP CC1CCC(C[N@H+]2CCCN(C(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001198243345 1368988139 /nfs/dbraw/zinc/98/81/39/1368988139.db2.gz IIBCHPRLYATWJQ-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCCCC[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198258762 1368991195 /nfs/dbraw/zinc/99/11/95/1368991195.db2.gz CTWKYYXBNFSDTK-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198258762 1368991198 /nfs/dbraw/zinc/99/11/98/1368991198.db2.gz CTWKYYXBNFSDTK-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001112964839 1369112162 /nfs/dbraw/zinc/11/21/62/1369112162.db2.gz ABXZVQPPQVUWLK-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2CCC[NH+](CC3CC3)CC2)CC1 ZINC001186605521 1387983542 /nfs/dbraw/zinc/98/35/42/1387983542.db2.gz OOWCIDXHCAGXGK-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@H+](CC3CC3)CC2)CC1 ZINC001186605521 1387983545 /nfs/dbraw/zinc/98/35/45/1387983545.db2.gz OOWCIDXHCAGXGK-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC001186605521 1387983548 /nfs/dbraw/zinc/98/35/48/1387983548.db2.gz OOWCIDXHCAGXGK-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1nn2c(C[NH2+]C[C@@H](C)C[NH+]3CCCC3)c(C(C)C)nc2s1 ZINC001199403749 1369219855 /nfs/dbraw/zinc/21/98/55/1369219855.db2.gz ZQPRDNPXWHVYQB-CYBMUJFWSA-N 2 1 335.521 3.044 20 0 EGADMP CC(C)CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001113252434 1369293228 /nfs/dbraw/zinc/29/32/28/1369293228.db2.gz OSBSNKPLYSDUFG-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001113397786 1369397907 /nfs/dbraw/zinc/39/79/07/1369397907.db2.gz NGKXMANFURDWPB-GOSISDBHSA-N 2 1 348.535 3.223 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001200894329 1369445344 /nfs/dbraw/zinc/44/53/44/1369445344.db2.gz PHGOWSJRVJVKBP-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001201400109 1369537091 /nfs/dbraw/zinc/53/70/91/1369537091.db2.gz NXSZYIPMKYMKQP-LJQANCHMSA-N 2 1 337.552 3.124 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC001201408217 1369538479 /nfs/dbraw/zinc/53/84/79/1369538479.db2.gz CDAIUYYNCSRNCX-QZTJIDSGSA-N 2 1 334.504 3.082 20 0 EGADMP Cn1cc(C[N@H+]2CCCC23CC[NH+](C[C@@H]2CC=CCC2)CC3)cn1 ZINC001201412798 1369539866 /nfs/dbraw/zinc/53/98/66/1369539866.db2.gz YPBDKRCALBULLR-GOSISDBHSA-N 2 1 328.504 3.207 20 0 EGADMP CC(C)(C)C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001201435050 1369545521 /nfs/dbraw/zinc/54/55/21/1369545521.db2.gz GNVHIDUECQGKDE-UHFFFAOYSA-N 2 1 331.504 3.042 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001201707232 1369609363 /nfs/dbraw/zinc/60/93/63/1369609363.db2.gz XOAKPTVMDKHXSV-LJQANCHMSA-N 2 1 338.536 3.016 20 0 EGADMP C[NH+](C)CC1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CCCC1 ZINC001201930240 1369644586 /nfs/dbraw/zinc/64/45/86/1369644586.db2.gz XMTMDHIRJJFRCS-UHFFFAOYSA-N 2 1 338.879 3.323 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CC3CCOCC3)C[C@@H]21 ZINC001202579270 1369811627 /nfs/dbraw/zinc/81/16/27/1369811627.db2.gz QAKISIYYORPKLP-SESVDKBCSA-N 2 1 343.515 3.041 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CC3CCOCC3)C[C@@H]21 ZINC001202579270 1369811632 /nfs/dbraw/zinc/81/16/32/1369811632.db2.gz QAKISIYYORPKLP-SESVDKBCSA-N 2 1 343.515 3.041 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001202579270 1369811639 /nfs/dbraw/zinc/81/16/39/1369811639.db2.gz QAKISIYYORPKLP-SESVDKBCSA-N 2 1 343.515 3.041 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001202579270 1369811647 /nfs/dbraw/zinc/81/16/47/1369811647.db2.gz QAKISIYYORPKLP-SESVDKBCSA-N 2 1 343.515 3.041 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001186981040 1388035212 /nfs/dbraw/zinc/03/52/12/1388035212.db2.gz KEMGEPAYFJGHMF-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203102291 1369984152 /nfs/dbraw/zinc/98/41/52/1369984152.db2.gz HQLCQFSRRCYCGK-IAGOWNOFSA-N 2 1 349.563 3.170 20 0 EGADMP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203105358 1369985315 /nfs/dbraw/zinc/98/53/15/1369985315.db2.gz XHOZBQMIZTUDLE-DLBZAZTESA-N 2 1 337.552 3.314 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc(CO)cc4)C[C@@H]3C2)cc1 ZINC001203182693 1370014479 /nfs/dbraw/zinc/01/44/79/1370014479.db2.gz DTDLCBLNHSSECJ-SZPZYZBQSA-N 2 1 336.479 3.051 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(CO)cc4)C[C@@H]3C2)cc1 ZINC001203182693 1370014484 /nfs/dbraw/zinc/01/44/84/1370014484.db2.gz DTDLCBLNHSSECJ-SZPZYZBQSA-N 2 1 336.479 3.051 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc(CO)cc4)C[C@@H]3C2)cc1 ZINC001203182693 1370014491 /nfs/dbraw/zinc/01/44/91/1370014491.db2.gz DTDLCBLNHSSECJ-SZPZYZBQSA-N 2 1 336.479 3.051 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc(CO)cc4)C[C@@H]3C2)cc1 ZINC001203182693 1370014495 /nfs/dbraw/zinc/01/44/95/1370014495.db2.gz DTDLCBLNHSSECJ-SZPZYZBQSA-N 2 1 336.479 3.051 20 0 EGADMP CCc1[nH]c(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)[nH+]1 ZINC001203248429 1370039197 /nfs/dbraw/zinc/03/91/97/1370039197.db2.gz SGURZZIHUUSPPS-RBUKOAKNSA-N 2 1 338.499 3.234 20 0 EGADMP CCc1[nH]c(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C)[nH+]1 ZINC001203248429 1370039202 /nfs/dbraw/zinc/03/92/02/1370039202.db2.gz SGURZZIHUUSPPS-RBUKOAKNSA-N 2 1 338.499 3.234 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001187034750 1388043396 /nfs/dbraw/zinc/04/33/96/1388043396.db2.gz NAJLUUBLNPUJGD-GLCUZYPYSA-N 2 1 343.515 3.226 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H](C)CC)CC1 ZINC001203283656 1370061638 /nfs/dbraw/zinc/06/16/38/1370061638.db2.gz UWPDQRWEZIXVGI-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203467342 1370136025 /nfs/dbraw/zinc/13/60/25/1370136025.db2.gz APNIELRFJJMCMH-IAGOWNOFSA-N 2 1 346.519 3.070 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203576551 1370176825 /nfs/dbraw/zinc/17/68/25/1370176825.db2.gz FYXKCMXHUGXSEE-SJORKVTESA-N 2 1 337.552 3.172 20 0 EGADMP Cc1ccc(C)c(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c1 ZINC001203749198 1370247912 /nfs/dbraw/zinc/24/79/12/1370247912.db2.gz YAKPQLGTHRFQHH-FGZHOGPDSA-N 2 1 342.527 3.484 20 0 EGADMP Cc1ccc(C)c(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1 ZINC001203749198 1370247920 /nfs/dbraw/zinc/24/79/20/1370247920.db2.gz YAKPQLGTHRFQHH-FGZHOGPDSA-N 2 1 342.527 3.484 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1 ZINC001203749198 1370247924 /nfs/dbraw/zinc/24/79/24/1370247924.db2.gz YAKPQLGTHRFQHH-FGZHOGPDSA-N 2 1 342.527 3.484 20 0 EGADMP COc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)cc1C ZINC001203892837 1370302293 /nfs/dbraw/zinc/30/22/93/1370302293.db2.gz HYNUHNCZCZFIDM-UHFFFAOYSA-N 2 1 325.456 3.446 20 0 EGADMP CC(=O)Oc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001203950966 1370327401 /nfs/dbraw/zinc/32/74/01/1370327401.db2.gz BGAZHHZCDMNVMY-RBUKOAKNSA-N 2 1 330.472 3.451 20 0 EGADMP CC(=O)Oc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001203950966 1370327407 /nfs/dbraw/zinc/32/74/07/1370327407.db2.gz BGAZHHZCDMNVMY-RBUKOAKNSA-N 2 1 330.472 3.451 20 0 EGADMP CC(=O)Oc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001203950966 1370327412 /nfs/dbraw/zinc/32/74/12/1370327412.db2.gz BGAZHHZCDMNVMY-RBUKOAKNSA-N 2 1 330.472 3.451 20 0 EGADMP CCc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)cc1 ZINC001204176745 1370400269 /nfs/dbraw/zinc/40/02/69/1370400269.db2.gz SNQSFVLFKZLQAZ-VXKWHMMOSA-N 2 1 342.527 3.429 20 0 EGADMP CCc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)cc1 ZINC001204176745 1370400273 /nfs/dbraw/zinc/40/02/73/1370400273.db2.gz SNQSFVLFKZLQAZ-VXKWHMMOSA-N 2 1 342.527 3.429 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC2CCCC2)CCCCC1 ZINC001115450882 1370459282 /nfs/dbraw/zinc/45/92/82/1370459282.db2.gz SBNQSDLGTCBXAN-IBGZPJMESA-N 2 1 349.563 3.460 20 0 EGADMP CC(=O)n1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC001204405893 1370468621 /nfs/dbraw/zinc/46/86/21/1370468621.db2.gz CGQMZBLFAOEUKI-UHFFFAOYSA-N 2 1 334.423 3.019 20 0 EGADMP Cc1nn(C)cc1CN1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001204582916 1370523375 /nfs/dbraw/zinc/52/33/75/1370523375.db2.gz PUEIDQBYKNIXME-OAQYLSRUSA-N 2 1 338.499 3.217 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115535301 1370532027 /nfs/dbraw/zinc/53/20/27/1370532027.db2.gz QEVHDYJUQGSGJZ-SFHVURJKSA-N 2 1 335.536 3.068 20 0 EGADMP CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC001115538335 1370534618 /nfs/dbraw/zinc/53/46/18/1370534618.db2.gz CUQCHPGDIRLIRN-GOSISDBHSA-N 2 1 349.563 3.460 20 0 EGADMP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001115543736 1370540591 /nfs/dbraw/zinc/54/05/91/1370540591.db2.gz YDCPZAXTARAYED-PWBPZBFBSA-N 2 1 349.563 3.482 20 0 EGADMP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204691556 1370546776 /nfs/dbraw/zinc/54/67/76/1370546776.db2.gz IUGVDZJCIJHWPE-UHFFFAOYSA-N 2 1 338.451 3.326 20 0 EGADMP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204691556 1370546782 /nfs/dbraw/zinc/54/67/82/1370546782.db2.gz IUGVDZJCIJHWPE-UHFFFAOYSA-N 2 1 338.451 3.326 20 0 EGADMP COc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(OC)c1Cl ZINC001204748416 1370564667 /nfs/dbraw/zinc/56/46/67/1370564667.db2.gz LCWBVUCHXJHKDO-UHFFFAOYSA-N 2 1 338.879 3.323 20 0 EGADMP CC[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC001204798795 1370578131 /nfs/dbraw/zinc/57/81/31/1370578131.db2.gz OGOJYCSPCQOATF-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H](F)CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579362 1370582561 /nfs/dbraw/zinc/58/25/61/1370582561.db2.gz KESGATKEGVCCGI-SJORKVTESA-N 2 1 341.515 3.018 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001115592155 1370592961 /nfs/dbraw/zinc/59/29/61/1370592961.db2.gz WPDHYXHFHHLWJT-MOPGFXCFSA-N 2 1 349.563 3.458 20 0 EGADMP C(=C/c1ccccc1)\C[NH+]1CCN(C[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC001204884870 1370596650 /nfs/dbraw/zinc/59/66/50/1370596650.db2.gz BFYXDQZWIKPKJW-CJHOVAGGSA-N 2 1 347.506 3.032 20 0 EGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3cc(Br)ccc3n2)CC1 ZINC001205117857 1370655742 /nfs/dbraw/zinc/65/57/42/1370655742.db2.gz XCBCDOXTVPTBQK-AWEZNQCLSA-N 2 1 334.261 3.311 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(OCC3CC3)c2)C[C@H]1C[NH3+] ZINC001205140481 1370661825 /nfs/dbraw/zinc/66/18/25/1370661825.db2.gz IXNFRSLNODPAGY-SWLSCSKDSA-N 2 1 340.414 3.103 20 0 EGADMP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692070 1370673027 /nfs/dbraw/zinc/67/30/27/1370673027.db2.gz GHRLVZMIZGPFLF-SQNIBIBYSA-N 2 1 337.552 3.172 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC001205228069 1370687867 /nfs/dbraw/zinc/68/78/67/1370687867.db2.gz BOSLJAYRVNMJLS-HXUWFJFHSA-N 2 1 344.430 3.294 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC001205230696 1370689069 /nfs/dbraw/zinc/68/90/69/1370689069.db2.gz UBOCLMMONSYQKY-CQSZACIVSA-N 2 1 336.785 3.035 20 0 EGADMP CCC/C=C/CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115729423 1370710932 /nfs/dbraw/zinc/71/09/32/1370710932.db2.gz FMLXBRQMSLZNGO-UEKDZROGSA-N 2 1 349.563 3.483 20 0 EGADMP C[C@@H]1CC[N@@H+](CCCc2ccccc2Br)C[C@H]1C[NH3+] ZINC001205296378 1370711051 /nfs/dbraw/zinc/71/10/51/1370711051.db2.gz NUUPXMZAVYXHIM-UKRRQHHQSA-N 2 1 325.294 3.298 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCCCC1 ZINC001115753866 1370735052 /nfs/dbraw/zinc/73/50/52/1370735052.db2.gz DDFGRYAMQCHZRH-UHFFFAOYSA-N 2 1 346.519 3.381 20 0 EGADMP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001115768844 1370753354 /nfs/dbraw/zinc/75/33/54/1370753354.db2.gz JXFOLRLVXCBTCX-MOPGFXCFSA-N 2 1 347.547 3.212 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205460891 1370762442 /nfs/dbraw/zinc/76/24/42/1370762442.db2.gz ADEBYAKIWLQFAO-RRFGBZISSA-N 2 1 349.563 3.434 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205461444 1370762643 /nfs/dbraw/zinc/76/26/43/1370762643.db2.gz JGONVVYLAOOQBG-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]C[C@@H](C)CC(C)C)CCCCC1 ZINC001115805667 1370788953 /nfs/dbraw/zinc/78/89/53/1370788953.db2.gz ANLHBJVNLDTPSC-SFHVURJKSA-N 2 1 339.568 3.419 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(Br)c(F)c2)CC1 ZINC001205558433 1370790959 /nfs/dbraw/zinc/79/09/59/1370790959.db2.gz FJOUWHZUDXOYNA-AWEZNQCLSA-N 2 1 333.220 3.241 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(Br)c(F)c2)CC1 ZINC001205558433 1370790963 /nfs/dbraw/zinc/79/09/63/1370790963.db2.gz FJOUWHZUDXOYNA-AWEZNQCLSA-N 2 1 333.220 3.241 20 0 EGADMP Cc1nc(-c2ccccc2)ncc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205570082 1370795631 /nfs/dbraw/zinc/79/56/31/1370795631.db2.gz FGVFLOQQOPYLPD-IBGZPJMESA-N 2 1 328.435 3.105 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@H]1C[NH3+] ZINC001205601805 1370806726 /nfs/dbraw/zinc/80/67/26/1370806726.db2.gz GNZRRHMSVWLFGR-NRSPTQNISA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@H]1C[NH3+] ZINC001205601805 1370806731 /nfs/dbraw/zinc/80/67/31/1370806731.db2.gz GNZRRHMSVWLFGR-NRSPTQNISA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@H]1C[NH3+] ZINC001205601805 1370806745 /nfs/dbraw/zinc/80/67/45/1370806745.db2.gz GNZRRHMSVWLFGR-NRSPTQNISA-N 2 1 329.532 3.205 20 0 EGADMP C[C@@H]1CC[N@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC[C@H]1C[NH3+] ZINC001205601805 1370806748 /nfs/dbraw/zinc/80/67/48/1370806748.db2.gz GNZRRHMSVWLFGR-NRSPTQNISA-N 2 1 329.532 3.205 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC[C@H]1C[NH3+] ZINC001205601805 1370806753 /nfs/dbraw/zinc/80/67/53/1370806753.db2.gz GNZRRHMSVWLFGR-NRSPTQNISA-N 2 1 329.532 3.205 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205601632 1370806964 /nfs/dbraw/zinc/80/69/64/1370806964.db2.gz FLFBSOOHUXCHLD-YJBOKZPZSA-N 2 1 326.488 3.296 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1OCC1CC1 ZINC001205603557 1370808194 /nfs/dbraw/zinc/80/81/94/1370808194.db2.gz QGIUQDBCKKTOPX-IBGZPJMESA-N 2 1 336.451 3.137 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205618264 1370813536 /nfs/dbraw/zinc/81/35/36/1370813536.db2.gz TYOUOTVRFKYJGB-QWHCGFSZSA-N 2 1 346.393 3.401 20 0 EGADMP Cn1c2ccccc2c2cc(C[N@H+]3CCCC[C@@](O)(C[NH3+])C3)ccc21 ZINC001205672178 1370837982 /nfs/dbraw/zinc/83/79/82/1370837982.db2.gz GQLIBXJCAHNGRH-OAQYLSRUSA-N 2 1 337.467 3.007 20 0 EGADMP Cc1cc(Oc2ccccc2)ccc1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205726245 1370853169 /nfs/dbraw/zinc/85/31/69/1370853169.db2.gz RRESHKLKSVKFMW-OAQYLSRUSA-N 2 1 340.467 3.463 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cccc(-c3ccc(F)cc3F)c2)C1 ZINC001205726550 1370853847 /nfs/dbraw/zinc/85/38/47/1370853847.db2.gz USXMYNQXPUNOFF-FQEVSTJZSA-N 2 1 346.421 3.308 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccnc(OCc2ccccc2)c1 ZINC001205924420 1370913062 /nfs/dbraw/zinc/91/30/62/1370913062.db2.gz SPCLHBNCCLSRON-VQIMIIECSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccnc(OCc2ccccc2)c1 ZINC001205924420 1370913068 /nfs/dbraw/zinc/91/30/68/1370913068.db2.gz SPCLHBNCCLSRON-VQIMIIECSA-N 2 1 325.456 3.220 20 0 EGADMP CCOC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206003831 1370935763 /nfs/dbraw/zinc/93/57/63/1370935763.db2.gz MXXPKMMYPRSATM-GJZGRUSLSA-N 2 1 343.471 3.151 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cc(Cl)cnc2Br)CCC[C@H]1C[NH3+] ZINC001206011210 1370936816 /nfs/dbraw/zinc/93/68/16/1370936816.db2.gz APXSCDZAJLLUOX-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)cnc2Br)CCC[C@H]1C[NH3+] ZINC001206011210 1370936820 /nfs/dbraw/zinc/93/68/20/1370936820.db2.gz APXSCDZAJLLUOX-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc(OCc3ccccc3)ccn2)CCC[C@H]1C[NH3+] ZINC001206013723 1370937815 /nfs/dbraw/zinc/93/78/15/1370937815.db2.gz TZXJNMGSQMYJKL-HKUYNNGSSA-N 2 1 339.483 3.467 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)CCC[C@H]1C[NH3+] ZINC001206036656 1370945209 /nfs/dbraw/zinc/94/52/09/1370945209.db2.gz NGMKWUZKVATPKN-XLIONFOSSA-N 2 1 339.483 3.467 20 0 EGADMP [NH3+][C@H]1CC[N@H+](CCCc2ccc(Br)cc2)CC[C@H]1F ZINC001206156332 1370974514 /nfs/dbraw/zinc/97/45/14/1370974514.db2.gz QDDZTOAWTPLLJP-CABCVRRESA-N 2 1 329.257 3.143 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](CCCc2ccc(Br)cc2)CC[C@H]1F ZINC001206156332 1370974515 /nfs/dbraw/zinc/97/45/15/1370974515.db2.gz QDDZTOAWTPLLJP-CABCVRRESA-N 2 1 329.257 3.143 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](Cc2cc3ccc(Br)cc3[nH]2)CC[C@@H]1F ZINC001206175668 1370980979 /nfs/dbraw/zinc/98/09/79/1370980979.db2.gz WZZZCQLUKDJGBR-UONOGXRCSA-N 2 1 340.240 3.192 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](Cc2cc3ccc(Br)cc3[nH]2)CC[C@@H]1F ZINC001206175668 1370980981 /nfs/dbraw/zinc/98/09/81/1370980981.db2.gz WZZZCQLUKDJGBR-UONOGXRCSA-N 2 1 340.240 3.192 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001116876710 1370992916 /nfs/dbraw/zinc/99/29/16/1370992916.db2.gz CJYNZUWFVGGURJ-UHFFFAOYSA-N 2 1 326.488 3.393 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001116876710 1370992919 /nfs/dbraw/zinc/99/29/19/1370992919.db2.gz CJYNZUWFVGGURJ-UHFFFAOYSA-N 2 1 326.488 3.393 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cnc(Br)cc2Cl)CC1 ZINC001206310914 1371017468 /nfs/dbraw/zinc/01/74/68/1371017468.db2.gz FHKKIUGUWOHRMA-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cnc(Br)cc2Cl)CC1 ZINC001206310914 1371017472 /nfs/dbraw/zinc/01/74/72/1371017472.db2.gz FHKKIUGUWOHRMA-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1OCC1CC1 ZINC001206311897 1371017498 /nfs/dbraw/zinc/01/74/98/1371017498.db2.gz WQJKJCJCGCUEIH-HXUWFJFHSA-N 2 1 332.488 3.435 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(OC3CCOCC3)cc2)CC1 ZINC001206310878 1371017907 /nfs/dbraw/zinc/01/79/07/1371017907.db2.gz DVHNXLRKUWDOMI-FQEVSTJZSA-N 2 1 332.488 3.195 20 0 EGADMP Cc1cnc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(Br)c1 ZINC001206317861 1371019869 /nfs/dbraw/zinc/01/98/69/1371019869.db2.gz KBVDYKPYOQYUNK-HNNXBMFYSA-N 2 1 326.282 3.103 20 0 EGADMP COc1cccc(Br)c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206327265 1371023997 /nfs/dbraw/zinc/02/39/97/1371023997.db2.gz UGIZKLZUKIUCBX-MRXNPFEDSA-N 2 1 341.293 3.409 20 0 EGADMP Cn1nccc1CN1C[C@H]2[C@@H](C1)CCC[C@H]2[N@@H+](C)Cc1cccs1 ZINC001206338173 1371026527 /nfs/dbraw/zinc/02/65/27/1371026527.db2.gz XLNNGCONXPFHJP-AYOQOUSVSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1nccc1C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2[NH+](C)Cc1cccs1 ZINC001206338173 1371026529 /nfs/dbraw/zinc/02/65/29/1371026529.db2.gz XLNNGCONXPFHJP-AYOQOUSVSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1nccc1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2[NH+](C)Cc1cccs1 ZINC001206338173 1371026534 /nfs/dbraw/zinc/02/65/34/1371026534.db2.gz XLNNGCONXPFHJP-AYOQOUSVSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1nccc1C[NH+]1C[C@H]2[C@@H](C1)CCC[C@H]2[N@H+](C)Cc1cccs1 ZINC001206338173 1371026542 /nfs/dbraw/zinc/02/65/42/1371026542.db2.gz XLNNGCONXPFHJP-AYOQOUSVSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1nccc1C[NH+]1C[C@H]2[C@@H](C1)CCC[C@H]2[N@@H+](C)Cc1cccs1 ZINC001206338173 1371026549 /nfs/dbraw/zinc/02/65/49/1371026549.db2.gz XLNNGCONXPFHJP-AYOQOUSVSA-N 2 1 344.528 3.214 20 0 EGADMP Cc1cc(F)c(C[NH+]2CCC(CC[NH3+])CC2)cc1Br ZINC001206499806 1371074045 /nfs/dbraw/zinc/07/40/45/1371074045.db2.gz CKHOARCQLRXKMU-UHFFFAOYSA-N 2 1 329.257 3.457 20 0 EGADMP COC(=O)c1cc2cc(C[N@@H+](C(C)C)[C@H]3CCC[NH2+]CC3)ccc2[nH]1 ZINC001206599490 1371105558 /nfs/dbraw/zinc/10/55/58/1371105558.db2.gz SPFWUSCLKSSMKD-KRWDZBQOSA-N 2 1 343.471 3.307 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2c(-c3ccccc3)nc3n2CCS3)C1 ZINC001206623606 1371111486 /nfs/dbraw/zinc/11/14/86/1371111486.db2.gz NTRFLPRJXNWJKB-OAHLLOKOSA-N 2 1 342.512 3.217 20 0 EGADMP COc1ccc2cc(C[N@@H+]3CCCC[C@@H](C[NH3+])C3)c(Cl)nc2c1 ZINC001206622859 1371111709 /nfs/dbraw/zinc/11/17/09/1371111709.db2.gz HWINFHOQLMIFSR-ZDUSSCGKSA-N 2 1 333.863 3.458 20 0 EGADMP COc1ccc2cc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)c(Cl)nc2c1 ZINC001206622859 1371111713 /nfs/dbraw/zinc/11/17/13/1371111713.db2.gz HWINFHOQLMIFSR-ZDUSSCGKSA-N 2 1 333.863 3.458 20 0 EGADMP COc1ccc2c(OC)ccc(C[N@H+]3CCCC[C@H](C[NH3+])C3)c2c1 ZINC001206649555 1371119704 /nfs/dbraw/zinc/11/97/04/1371119704.db2.gz VSUOXTBNAPDCRT-OAHLLOKOSA-N 2 1 328.456 3.418 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCC1(F)F ZINC001206675025 1371129112 /nfs/dbraw/zinc/12/91/12/1371129112.db2.gz ZTLUZZCHGYJGIJ-MRXNPFEDSA-N 2 1 338.442 3.386 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCC1(F)F ZINC001206675025 1371129116 /nfs/dbraw/zinc/12/91/16/1371129116.db2.gz ZTLUZZCHGYJGIJ-MRXNPFEDSA-N 2 1 338.442 3.386 20 0 EGADMP COc1ccc(-c2cccc(C[N@H+]3C[C@@H](C[NH3+])CC[C@H]3C)n2)cc1 ZINC001206770091 1371159741 /nfs/dbraw/zinc/15/97/41/1371159741.db2.gz QPXBJSZWGHAOET-HZPDHXFCSA-N 2 1 325.456 3.316 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206811454 1371176491 /nfs/dbraw/zinc/17/64/91/1371176491.db2.gz UURCMALTOUDBGW-GJZGRUSLSA-N 2 1 343.471 3.212 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206811454 1371176496 /nfs/dbraw/zinc/17/64/96/1371176496.db2.gz UURCMALTOUDBGW-GJZGRUSLSA-N 2 1 343.471 3.212 20 0 EGADMP CCCC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001206869199 1371197833 /nfs/dbraw/zinc/19/78/33/1371197833.db2.gz XHNCDRGBJKEJKU-HXUWFJFHSA-N 2 1 345.531 3.308 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206948216 1371240808 /nfs/dbraw/zinc/24/08/08/1371240808.db2.gz ZUCKNYBXALOAMP-CALCHBBNSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]([NH2+]CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC001206954405 1371244635 /nfs/dbraw/zinc/24/46/35/1371244635.db2.gz ICBOXDLKSLWCRQ-HXUWFJFHSA-N 2 1 345.531 3.306 20 0 EGADMP C[NH+](C)CCOCc1ncn2c1C[N@@H+](CCC1CCCCC1)CCC2 ZINC001207262030 1371343601 /nfs/dbraw/zinc/34/36/01/1371343601.db2.gz ITCKTSQWBJMCBP-UHFFFAOYSA-N 2 1 348.535 3.137 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001207284465 1371350436 /nfs/dbraw/zinc/35/04/36/1371350436.db2.gz NBQIJYLEKGBQII-KRWDZBQOSA-N 2 1 344.503 3.086 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001207284465 1371350439 /nfs/dbraw/zinc/35/04/39/1371350439.db2.gz NBQIJYLEKGBQII-KRWDZBQOSA-N 2 1 344.503 3.086 20 0 EGADMP C[NH+](C)CC(C)(C)CN1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001207288234 1371351659 /nfs/dbraw/zinc/35/16/59/1371351659.db2.gz KSAFZZUOZFLCEH-UHFFFAOYSA-N 2 1 335.511 3.310 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@@H]4OCCC[C@H]4C3)CC2)cc1 ZINC001207286747 1371351808 /nfs/dbraw/zinc/35/18/08/1371351808.db2.gz LNHKMZQQGXLKIY-SFTDATJTSA-N 2 1 328.500 3.400 20 0 EGADMP COC(=O)[C@@]1(C)CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207292770 1371352694 /nfs/dbraw/zinc/35/26/94/1371352694.db2.gz ZJFVHVSGMJBPQC-NRFANRHFSA-N 2 1 344.499 3.174 20 0 EGADMP CCN1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C(C)(C)C1 ZINC001207295612 1371354508 /nfs/dbraw/zinc/35/45/08/1371354508.db2.gz WKDBSRWSPITLTN-UHFFFAOYSA-N 2 1 329.532 3.315 20 0 EGADMP CC[N@@H+]1CCN(CC2CC[NH+](Cc3ccccc3)CC2)C(C)(C)C1 ZINC001207295612 1371354510 /nfs/dbraw/zinc/35/45/10/1371354510.db2.gz WKDBSRWSPITLTN-UHFFFAOYSA-N 2 1 329.532 3.315 20 0 EGADMP CC[N@H+]1CCN(CC2CC[NH+](Cc3ccccc3)CC2)C(C)(C)C1 ZINC001207295612 1371354515 /nfs/dbraw/zinc/35/45/15/1371354515.db2.gz WKDBSRWSPITLTN-UHFFFAOYSA-N 2 1 329.532 3.315 20 0 EGADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001207313011 1371358754 /nfs/dbraw/zinc/35/87/54/1371358754.db2.gz KOKFZJOQTUAGTL-KRWDZBQOSA-N 2 1 339.524 3.194 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001207313011 1371358756 /nfs/dbraw/zinc/35/87/56/1371358756.db2.gz KOKFZJOQTUAGTL-KRWDZBQOSA-N 2 1 339.524 3.194 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001207399683 1371385324 /nfs/dbraw/zinc/38/53/24/1371385324.db2.gz QXCYVDYFYZZIMX-IAGOWNOFSA-N 2 1 339.524 3.096 20 0 EGADMP c1ccc(CN(C2CC2)[C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC001207440697 1371396507 /nfs/dbraw/zinc/39/65/07/1371396507.db2.gz DJJFCNOSZADHDB-NRFANRHFSA-N 2 1 327.516 3.115 20 0 EGADMP CCCC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1C(=O)OC(C)(C)C ZINC001207441100 1371397161 /nfs/dbraw/zinc/39/71/61/1371397161.db2.gz QNVOIJXMGMZBDC-KRWDZBQOSA-N 2 1 339.524 3.098 20 0 EGADMP COc1ccc(CC[N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)cc1 ZINC001207474618 1371406935 /nfs/dbraw/zinc/40/69/35/1371406935.db2.gz SOZOTDIERUEQHP-HDICACEKSA-N 2 1 342.508 3.363 20 0 EGADMP COc1ccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001207474618 1371406939 /nfs/dbraw/zinc/40/69/39/1371406939.db2.gz SOZOTDIERUEQHP-HDICACEKSA-N 2 1 342.508 3.363 20 0 EGADMP COc1ccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001207474618 1371406954 /nfs/dbraw/zinc/40/69/54/1371406954.db2.gz SOZOTDIERUEQHP-HDICACEKSA-N 2 1 342.508 3.363 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207486052 1371410957 /nfs/dbraw/zinc/41/09/57/1371410957.db2.gz CNAARHISWPVGLR-KRWDZBQOSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001207486923 1371411248 /nfs/dbraw/zinc/41/12/48/1371411248.db2.gz OWZHACIRFVCGGX-QFIPXVFZSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(CC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001207486923 1371411250 /nfs/dbraw/zinc/41/12/50/1371411250.db2.gz OWZHACIRFVCGGX-QFIPXVFZSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(CC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001207486923 1371411252 /nfs/dbraw/zinc/41/12/52/1371411252.db2.gz OWZHACIRFVCGGX-QFIPXVFZSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(CC[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001207486923 1371411253 /nfs/dbraw/zinc/41/12/53/1371411253.db2.gz OWZHACIRFVCGGX-QFIPXVFZSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001207486923 1371411256 /nfs/dbraw/zinc/41/12/56/1371411256.db2.gz OWZHACIRFVCGGX-QFIPXVFZSA-N 2 1 341.543 3.316 20 0 EGADMP CN1CCC([N@@H+](CCC2CC[NH+](C)CC2)Cc2ccc(F)cc2)CC1 ZINC001207488435 1371411941 /nfs/dbraw/zinc/41/19/41/1371411941.db2.gz LCYCJKVOESQYDL-UHFFFAOYSA-N 2 1 347.522 3.454 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001207540701 1371430039 /nfs/dbraw/zinc/43/00/39/1371430039.db2.gz AHBYYQOCQJOTQJ-GUDVDZBRSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001207540701 1371430041 /nfs/dbraw/zinc/43/00/41/1371430041.db2.gz AHBYYQOCQJOTQJ-GUDVDZBRSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001207540701 1371430044 /nfs/dbraw/zinc/43/00/44/1371430044.db2.gz AHBYYQOCQJOTQJ-GUDVDZBRSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CC(CC)CC)CCCCC1 ZINC001120046454 1371468008 /nfs/dbraw/zinc/46/80/08/1371468008.db2.gz YVQHLQWNBGOFHW-UHFFFAOYSA-N 2 1 325.541 3.173 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCCCC1 ZINC001120046132 1371468118 /nfs/dbraw/zinc/46/81/18/1371468118.db2.gz LUORLLATYSSTFU-UHFFFAOYSA-N 2 1 349.563 3.317 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3csc(C(F)(F)F)n3)C[C@H]2C1 ZINC001120070897 1371477772 /nfs/dbraw/zinc/47/77/72/1371477772.db2.gz CTPNJFKMHFMGJD-NQBHXWOUSA-N 2 1 333.423 3.324 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(C(F)(F)F)n3)C[C@H]2C1 ZINC001120070897 1371477774 /nfs/dbraw/zinc/47/77/74/1371477774.db2.gz CTPNJFKMHFMGJD-NQBHXWOUSA-N 2 1 333.423 3.324 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3conc3Cc3ccccc3)C[C@H]2C1 ZINC001120072284 1371478477 /nfs/dbraw/zinc/47/84/77/1371478477.db2.gz SOJLICJXMPDEBI-NLWGTHIKSA-N 2 1 339.483 3.428 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120130067 1371492116 /nfs/dbraw/zinc/49/21/16/1371492116.db2.gz UECUIBDTMIERNO-ROUUACIJSA-N 2 1 337.552 3.029 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1C ZINC001207758157 1371495591 /nfs/dbraw/zinc/49/55/91/1371495591.db2.gz USQKTFXAJOFKGM-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001207789628 1371504797 /nfs/dbraw/zinc/50/47/97/1371504797.db2.gz CBSMHDVREHCJRP-DNVCBOLYSA-N 2 1 342.487 3.273 20 0 EGADMP CC1(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCOCC1 ZINC001207968618 1371555569 /nfs/dbraw/zinc/55/55/69/1371555569.db2.gz BHBQGWTYVRGMSP-OAQYLSRUSA-N 2 1 328.500 3.401 20 0 EGADMP CC1(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCOCC1 ZINC001207968618 1371555572 /nfs/dbraw/zinc/55/55/72/1371555572.db2.gz BHBQGWTYVRGMSP-OAQYLSRUSA-N 2 1 328.500 3.401 20 0 EGADMP CC1(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCOCC1 ZINC001207968618 1371555577 /nfs/dbraw/zinc/55/55/77/1371555577.db2.gz BHBQGWTYVRGMSP-OAQYLSRUSA-N 2 1 328.500 3.401 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001120403633 1371563515 /nfs/dbraw/zinc/56/35/15/1371563515.db2.gz ZWAHHAROTFNWIZ-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001120403633 1371563518 /nfs/dbraw/zinc/56/35/18/1371563518.db2.gz ZWAHHAROTFNWIZ-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001120403633 1371563524 /nfs/dbraw/zinc/56/35/24/1371563524.db2.gz ZWAHHAROTFNWIZ-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CC1(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC001208078507 1371588790 /nfs/dbraw/zinc/58/87/90/1371588790.db2.gz NTMPDKZMRBRQLB-WOJBJXKFSA-N 2 1 328.500 3.257 20 0 EGADMP CC1(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC001208078507 1371588794 /nfs/dbraw/zinc/58/87/94/1371588794.db2.gz NTMPDKZMRBRQLB-WOJBJXKFSA-N 2 1 328.500 3.257 20 0 EGADMP C[NH+](C)C[C@@H](C[NH2+]C[C@@H](O)c1ccccc1)c1ccc(Cl)cc1 ZINC001120512538 1371596408 /nfs/dbraw/zinc/59/64/08/1371596408.db2.gz DPPYEIMDHXZYTR-IEBWSBKVSA-N 2 1 332.875 3.308 20 0 EGADMP C[C@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001208105601 1371596481 /nfs/dbraw/zinc/59/64/81/1371596481.db2.gz ABYKSXUYQCAMMW-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP Cc1csc([C@H]2C[C@@H]3CC[N@H+](CC4(C)CC[NH+](C)CC4)C[C@H]3O2)n1 ZINC001208109664 1371597593 /nfs/dbraw/zinc/59/75/93/1371597593.db2.gz NNQVCBAQXMZSSU-GVDBMIGSSA-N 2 1 349.544 3.335 20 0 EGADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208111322 1371598351 /nfs/dbraw/zinc/59/83/51/1371598351.db2.gz KAKZHVNEDCEOQD-UHFFFAOYSA-N 3 1 347.522 3.454 20 0 EGADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208111322 1371598358 /nfs/dbraw/zinc/59/83/58/1371598358.db2.gz KAKZHVNEDCEOQD-UHFFFAOYSA-N 3 1 347.522 3.454 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001208113465 1371599742 /nfs/dbraw/zinc/59/97/42/1371599742.db2.gz JKLDPVLYBROITM-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](CCc2c(F)cccc2F)CC1 ZINC001208114090 1371600289 /nfs/dbraw/zinc/60/02/89/1371600289.db2.gz ARRSRXHSJYVHCM-UHFFFAOYSA-N 2 1 331.410 3.450 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208164541 1371614500 /nfs/dbraw/zinc/61/45/00/1371614500.db2.gz SMXDVPUZZVIDSX-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001208223223 1371661027 /nfs/dbraw/zinc/66/10/27/1371661027.db2.gz WVMDKBOYZQMDSJ-INIZCTEOSA-N 2 1 330.472 3.012 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208363369 1371736746 /nfs/dbraw/zinc/73/67/46/1371736746.db2.gz YEDKUWRIHGGELF-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001208423085 1371762834 /nfs/dbraw/zinc/76/28/34/1371762834.db2.gz DWBYVSOAOVBZIZ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001208447634 1371769568 /nfs/dbraw/zinc/76/95/68/1371769568.db2.gz PEXXSUTXUUMZJX-LJQANCHMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208448224 1371769698 /nfs/dbraw/zinc/76/96/98/1371769698.db2.gz XNKYEUXVTLHYSQ-ATZDWAIDSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)(C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208588677 1371829475 /nfs/dbraw/zinc/82/94/75/1371829475.db2.gz KIGIHSGRUNOGCB-HXUWFJFHSA-N 2 1 329.532 3.457 20 0 EGADMP C[N@H+]1C[C@@H]2CCCN(C[C@@H]3CCCC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC001208588919 1371830184 /nfs/dbraw/zinc/83/01/84/1371830184.db2.gz MXYOKCLZDZDZOC-PCCBWWKXSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1C[C@@H]2CCCN(C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)[C@@H]2C1 ZINC001208588919 1371830188 /nfs/dbraw/zinc/83/01/88/1371830188.db2.gz MXYOKCLZDZDZOC-PCCBWWKXSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1C[C@@H]2CCCN(C[C@@H]3CCCC[N@H+]3Cc3ccccc3)[C@@H]2C1 ZINC001208588919 1371830189 /nfs/dbraw/zinc/83/01/89/1371830189.db2.gz MXYOKCLZDZDZOC-PCCBWWKXSA-N 2 1 327.516 3.067 20 0 EGADMP C[N@@H+](C1CC1)[C@@H]1CCN(C[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001208590817 1371831465 /nfs/dbraw/zinc/83/14/65/1371831465.db2.gz GKNCLOQYTHOJGD-RTWAWAEBSA-N 2 1 327.516 3.210 20 0 EGADMP C[NH+](C1CC1)[C@@H]1CCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001208590817 1371831471 /nfs/dbraw/zinc/83/14/71/1371831471.db2.gz GKNCLOQYTHOJGD-RTWAWAEBSA-N 2 1 327.516 3.210 20 0 EGADMP C[NH+](C1CC1)[C@@H]1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208590817 1371831476 /nfs/dbraw/zinc/83/14/76/1371831476.db2.gz GKNCLOQYTHOJGD-RTWAWAEBSA-N 2 1 327.516 3.210 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCCC[NH+]3Cc3ccccc3)C[C@H]21 ZINC001208591636 1371831728 /nfs/dbraw/zinc/83/17/28/1371831728.db2.gz MNNWJKHMNUZNOQ-QHAWAJNXSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1CCC[C@@H]2CN(C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C[C@H]21 ZINC001208591636 1371831734 /nfs/dbraw/zinc/83/17/34/1371831734.db2.gz MNNWJKHMNUZNOQ-QHAWAJNXSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1CCC[C@@H]2CN(C[C@@H]3CCCC[N@H+]3Cc3ccccc3)C[C@H]21 ZINC001208591636 1371831738 /nfs/dbraw/zinc/83/17/38/1371831738.db2.gz MNNWJKHMNUZNOQ-QHAWAJNXSA-N 2 1 327.516 3.067 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001208597735 1371835061 /nfs/dbraw/zinc/83/50/61/1371835061.db2.gz MHAKFPMORMKZBD-BZSNNMDCSA-N 2 1 336.520 3.161 20 0 EGADMP COC(=O)c1ccc([C@H]2CCCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001208612572 1371839659 /nfs/dbraw/zinc/83/96/59/1371839659.db2.gz BYJRNCXFCYLFER-VQIMIIECSA-N 2 1 330.472 3.342 20 0 EGADMP COC(=O)c1ccc([C@H]2CCCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001208612572 1371839662 /nfs/dbraw/zinc/83/96/62/1371839662.db2.gz BYJRNCXFCYLFER-VQIMIIECSA-N 2 1 330.472 3.342 20 0 EGADMP COC(=O)c1ccc([C@H]2CCCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001208612572 1371839665 /nfs/dbraw/zinc/83/96/65/1371839665.db2.gz BYJRNCXFCYLFER-VQIMIIECSA-N 2 1 330.472 3.342 20 0 EGADMP COC(=O)c1ccc([C@H]2CCCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001208612572 1371839668 /nfs/dbraw/zinc/83/96/68/1371839668.db2.gz BYJRNCXFCYLFER-VQIMIIECSA-N 2 1 330.472 3.342 20 0 EGADMP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121102297 1371854851 /nfs/dbraw/zinc/85/48/51/1371854851.db2.gz DJJVAPJKQCVKCF-FCOWATRHSA-N 2 1 349.563 3.457 20 0 EGADMP FC1(F)CC[N@H+](CCC2CC2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001208682946 1371860547 /nfs/dbraw/zinc/86/05/47/1371860547.db2.gz URKUOSYVFRYZTN-GOSISDBHSA-N 2 1 335.442 3.415 20 0 EGADMP FC1(F)CC[N@@H+](CCC2CC2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001208682946 1371860548 /nfs/dbraw/zinc/86/05/48/1371860548.db2.gz URKUOSYVFRYZTN-GOSISDBHSA-N 2 1 335.442 3.415 20 0 EGADMP FC1(F)CC[NH+](CCC2CC2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001208682946 1371860549 /nfs/dbraw/zinc/86/05/49/1371860549.db2.gz URKUOSYVFRYZTN-GOSISDBHSA-N 2 1 335.442 3.415 20 0 EGADMP FC1(F)CC[NH+](CCC2CC2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001208682946 1371860551 /nfs/dbraw/zinc/86/05/51/1371860551.db2.gz URKUOSYVFRYZTN-GOSISDBHSA-N 2 1 335.442 3.415 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC[C@H]([NH2+]CCC2CC2)C1)C1CCCCC1 ZINC001208757610 1371885727 /nfs/dbraw/zinc/88/57/27/1371885727.db2.gz FMSMEFOMUBPZLG-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](CC3(c4ccccc4)CCCC3)C[C@@H]2C1 ZINC001208774811 1371893031 /nfs/dbraw/zinc/89/30/31/1371893031.db2.gz GNQBXHGBWORAIQ-AZUAARDMSA-N 2 1 328.500 3.151 20 0 EGADMP CC[N@H+]1CCO[C@@H]2C[NH+](CC3(c4ccccc4)CCCC3)C[C@@H]2C1 ZINC001208774811 1371893035 /nfs/dbraw/zinc/89/30/35/1371893035.db2.gz GNQBXHGBWORAIQ-AZUAARDMSA-N 2 1 328.500 3.151 20 0 EGADMP CC[NH+]1CCO[C@@H]2C[N@H+](CC3(c4ccccc4)CCCC3)C[C@@H]2C1 ZINC001208774811 1371893037 /nfs/dbraw/zinc/89/30/37/1371893037.db2.gz GNQBXHGBWORAIQ-AZUAARDMSA-N 2 1 328.500 3.151 20 0 EGADMP CC[NH+]1CCO[C@@H]2C[N@@H+](CC3(c4ccccc4)CCCC3)C[C@@H]2C1 ZINC001208774811 1371893040 /nfs/dbraw/zinc/89/30/40/1371893040.db2.gz GNQBXHGBWORAIQ-AZUAARDMSA-N 2 1 328.500 3.151 20 0 EGADMP Brc1cccc(CCC[N@H+]2CCc3[nH+]ccn3CC2)c1 ZINC001208824583 1371906503 /nfs/dbraw/zinc/90/65/03/1371906503.db2.gz KEXYIBPBUQDCDP-UHFFFAOYSA-N 2 1 334.261 3.137 20 0 EGADMP Brc1cccc(CCC[N@@H+]2CCc3[nH+]ccn3CC2)c1 ZINC001208824583 1371906506 /nfs/dbraw/zinc/90/65/06/1371906506.db2.gz KEXYIBPBUQDCDP-UHFFFAOYSA-N 2 1 334.261 3.137 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CCC=CO3)C[C@H]21 ZINC001208879289 1371929723 /nfs/dbraw/zinc/92/97/23/1371929723.db2.gz BJFZPWZXNIQIKK-GFOJFJKKSA-N 2 1 341.499 3.307 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@H]3CCC=CO3)C[C@H]21 ZINC001208879289 1371929727 /nfs/dbraw/zinc/92/97/27/1371929727.db2.gz BJFZPWZXNIQIKK-GFOJFJKKSA-N 2 1 341.499 3.307 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCC=CO3)C[C@H]21 ZINC001208879289 1371929730 /nfs/dbraw/zinc/92/97/30/1371929730.db2.gz BJFZPWZXNIQIKK-GFOJFJKKSA-N 2 1 341.499 3.307 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC=CO3)C[C@H]21 ZINC001208879289 1371929735 /nfs/dbraw/zinc/92/97/35/1371929735.db2.gz BJFZPWZXNIQIKK-GFOJFJKKSA-N 2 1 341.499 3.307 20 0 EGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](C[C@@H]1CCC=CO1)CC2 ZINC001208879041 1371930008 /nfs/dbraw/zinc/93/00/08/1371930008.db2.gz LGCBSOUXZYWUKP-FQEVSTJZSA-N 2 1 341.499 3.451 20 0 EGADMP c1csc(C[N@@H+]2CCOC3(CC[NH+](C[C@H]4CCC=CO4)CC3)C2)c1 ZINC001208881866 1371930445 /nfs/dbraw/zinc/93/04/45/1371930445.db2.gz YWEZEWWZOSKSJY-QGZVFWFLSA-N 2 1 348.512 3.108 20 0 EGADMP c1csc(C[N@H+]2CCOC3(CC[NH+](C[C@H]4CCC=CO4)CC3)C2)c1 ZINC001208881866 1371930460 /nfs/dbraw/zinc/93/04/60/1371930460.db2.gz YWEZEWWZOSKSJY-QGZVFWFLSA-N 2 1 348.512 3.108 20 0 EGADMP CCC(=O)C(C)(C)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001208921492 1371945932 /nfs/dbraw/zinc/94/59/32/1371945932.db2.gz LJLIHTVKUSRCGS-RTBURBONSA-N 2 1 328.500 3.446 20 0 EGADMP CCC(=O)C(C)(C)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001208921492 1371945935 /nfs/dbraw/zinc/94/59/35/1371945935.db2.gz LJLIHTVKUSRCGS-RTBURBONSA-N 2 1 328.500 3.446 20 0 EGADMP CCC(=O)C(C)(C)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001208921492 1371945938 /nfs/dbraw/zinc/94/59/38/1371945938.db2.gz LJLIHTVKUSRCGS-RTBURBONSA-N 2 1 328.500 3.446 20 0 EGADMP CCC(=O)C(C)(C)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001208921492 1371945942 /nfs/dbraw/zinc/94/59/42/1371945942.db2.gz LJLIHTVKUSRCGS-RTBURBONSA-N 2 1 328.500 3.446 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC[C@@]4(CCOC4)C3)C2)cc1 ZINC001208933036 1371952097 /nfs/dbraw/zinc/95/20/97/1371952097.db2.gz SUYNFAOUUVRYOK-NHCUHLMSSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCC[C@@]4(CCOC4)C3)C2)cc1 ZINC001208933036 1371952098 /nfs/dbraw/zinc/95/20/98/1371952098.db2.gz SUYNFAOUUVRYOK-NHCUHLMSSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCC[C@@]4(CCOC4)C3)C2)cc1 ZINC001208933036 1371952099 /nfs/dbraw/zinc/95/20/99/1371952099.db2.gz SUYNFAOUUVRYOK-NHCUHLMSSA-N 2 1 328.500 3.401 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H]1C ZINC001208938698 1371953009 /nfs/dbraw/zinc/95/30/09/1371953009.db2.gz DGMXTHMQOJAVSI-DFQSSKMNSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H]1C ZINC001208938698 1371953015 /nfs/dbraw/zinc/95/30/15/1371953015.db2.gz DGMXTHMQOJAVSI-DFQSSKMNSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC001208938698 1371953017 /nfs/dbraw/zinc/95/30/17/1371953017.db2.gz DGMXTHMQOJAVSI-DFQSSKMNSA-N 2 1 344.499 3.172 20 0 EGADMP COC(=O)[C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC001208938698 1371953022 /nfs/dbraw/zinc/95/30/22/1371953022.db2.gz DGMXTHMQOJAVSI-DFQSSKMNSA-N 2 1 344.499 3.172 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)C2)cc1 ZINC001208940476 1371953749 /nfs/dbraw/zinc/95/37/49/1371953749.db2.gz SDBPQRNDPWNJMV-CRSSMBPESA-N 2 1 326.484 3.008 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)C2)cc1 ZINC001208940476 1371953751 /nfs/dbraw/zinc/95/37/51/1371953751.db2.gz SDBPQRNDPWNJMV-CRSSMBPESA-N 2 1 326.484 3.008 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)C2)cc1 ZINC001208940476 1371953755 /nfs/dbraw/zinc/95/37/55/1371953755.db2.gz SDBPQRNDPWNJMV-CRSSMBPESA-N 2 1 326.484 3.008 20 0 EGADMP C[N@H+]1CCN(C[C@H]2CC[NH+](Cc3ccccc3)C2)C2(CCCC2)C1 ZINC001208963632 1371963565 /nfs/dbraw/zinc/96/35/65/1371963565.db2.gz PIQLPOSJJIPBIN-FQEVSTJZSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)C2(CCCC2)C1 ZINC001208963632 1371963585 /nfs/dbraw/zinc/96/35/85/1371963585.db2.gz PIQLPOSJJIPBIN-FQEVSTJZSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2(CCCC2)C1 ZINC001208963632 1371963588 /nfs/dbraw/zinc/96/35/88/1371963588.db2.gz PIQLPOSJJIPBIN-FQEVSTJZSA-N 2 1 327.516 3.069 20 0 EGADMP CCCC[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001121462584 1371982700 /nfs/dbraw/zinc/98/27/00/1371982700.db2.gz JIRYDKSNYOPDGW-UHFFFAOYSA-N 2 1 349.563 3.458 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001209206088 1372037640 /nfs/dbraw/zinc/03/76/40/1372037640.db2.gz XDYQDSQLWQTBOH-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001209204725 1372038159 /nfs/dbraw/zinc/03/81/59/1372038159.db2.gz KRJCBIORQMNZKN-CQQBRXBZSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001209206187 1372038648 /nfs/dbraw/zinc/03/86/48/1372038648.db2.gz YUTDQOKCTMQIJO-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP COCCCC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001209215309 1372041011 /nfs/dbraw/zinc/04/10/11/1372041011.db2.gz KQDWBHRJTFTGIS-FQEVSTJZSA-N 2 1 346.515 3.169 20 0 EGADMP CCOC(=O)CCCCCC[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001209348740 1372073480 /nfs/dbraw/zinc/07/34/80/1372073480.db2.gz CBPMZPPQEDNXPG-UHFFFAOYSA-N 2 1 347.503 3.442 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001121791568 1372082297 /nfs/dbraw/zinc/08/22/97/1372082297.db2.gz UJSNWDVXYOLTCQ-UHFFFAOYSA-N 2 1 337.552 3.172 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001209659902 1372163025 /nfs/dbraw/zinc/16/30/25/1372163025.db2.gz KBZVVTPJCPMSSN-DKFQHHCZSA-N 2 1 335.536 3.045 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001209691816 1372171538 /nfs/dbraw/zinc/17/15/38/1372171538.db2.gz YVGQVORHRPNIPK-GIFJBRJJSA-N 2 1 337.552 3.291 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]C[C@@H](C)CC(C)C)C2 ZINC001122106864 1372175417 /nfs/dbraw/zinc/17/54/17/1372175417.db2.gz SVUWFCGCJFPKIZ-FUSSNKQKSA-N 2 1 337.552 3.027 20 0 EGADMP CN(C)c1ccccc1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001209773843 1372191367 /nfs/dbraw/zinc/19/13/67/1372191367.db2.gz HXJRINHMMQOQPE-QZTJIDSGSA-N 2 1 341.524 3.378 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C(C)C)cc2)C[C@H]1C ZINC001210033163 1372260288 /nfs/dbraw/zinc/26/02/88/1372260288.db2.gz KIWIXYJOVURANE-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2)C[C@H]1C ZINC001210033163 1372260291 /nfs/dbraw/zinc/26/02/91/1372260291.db2.gz KIWIXYJOVURANE-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(C)C)cc2)C[C@H]1C ZINC001210033163 1372260295 /nfs/dbraw/zinc/26/02/95/1372260295.db2.gz KIWIXYJOVURANE-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210178885 1372288961 /nfs/dbraw/zinc/28/89/61/1372288961.db2.gz DQBUATLGKBTRRE-YGUXGDEESA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001210178885 1372288972 /nfs/dbraw/zinc/28/89/72/1372288972.db2.gz DQBUATLGKBTRRE-YGUXGDEESA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001210178885 1372288973 /nfs/dbraw/zinc/28/89/73/1372288973.db2.gz DQBUATLGKBTRRE-YGUXGDEESA-N 2 1 349.563 3.434 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001210181925 1372289691 /nfs/dbraw/zinc/28/96/91/1372289691.db2.gz FXLNVALVRSGRAB-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP c1ccc(C[C@@H]2CN(C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC[NH2+]2)cc1 ZINC001210266805 1372310295 /nfs/dbraw/zinc/31/02/95/1372310295.db2.gz JVLSFGWYTRLKFV-XZOQPEGZSA-N 2 1 349.522 3.025 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001210482506 1372363863 /nfs/dbraw/zinc/36/38/63/1372363863.db2.gz OPHPUBATSXQUHN-IBGZPJMESA-N 2 1 345.531 3.034 20 0 EGADMP C[NH2+]Cc1cccc(Nc2cccc(F)c2N2CC[NH+](C)CC2)c1 ZINC001211140937 1372489918 /nfs/dbraw/zinc/48/99/18/1372489918.db2.gz QLNCCFKEAJTJOV-UHFFFAOYSA-N 2 1 328.435 3.041 20 0 EGADMP COc1cccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1F ZINC001212145155 1372663979 /nfs/dbraw/zinc/66/39/79/1372663979.db2.gz MGYSMLIYDRPQDL-ZDUSSCGKSA-N 2 1 336.411 3.052 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+][C@H](CC)c1ccccc1 ZINC001127678268 1373158265 /nfs/dbraw/zinc/15/82/65/1373158265.db2.gz ACBACFKUASAZHO-SJLPKXTDSA-N 2 1 342.487 3.254 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)ccc2o1 ZINC001326583100 1388247650 /nfs/dbraw/zinc/24/76/50/1388247650.db2.gz DGKPVYMTGDSVGM-UHFFFAOYSA-N 2 1 342.439 3.185 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCC2)C1 ZINC001215778175 1373237353 /nfs/dbraw/zinc/23/73/53/1373237353.db2.gz CRWBMVJUNZLKKG-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]([NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001129422429 1373382392 /nfs/dbraw/zinc/38/23/92/1373382392.db2.gz IKKOMFVRUIMGOZ-RTBURBONSA-N 2 1 331.504 3.106 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001129422799 1373382667 /nfs/dbraw/zinc/38/26/67/1373382667.db2.gz LOWBQTBATVAODM-LJQANCHMSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205290 1388263677 /nfs/dbraw/zinc/26/36/77/1388263677.db2.gz JNTUKCULWWTQTP-SLFFLAALSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001188205290 1388263687 /nfs/dbraw/zinc/26/36/87/1388263687.db2.gz JNTUKCULWWTQTP-SLFFLAALSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001188205290 1388263694 /nfs/dbraw/zinc/26/36/94/1388263694.db2.gz JNTUKCULWWTQTP-SLFFLAALSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@@H]1CCC[NH2+][C@@H]1c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217702616 1373490523 /nfs/dbraw/zinc/49/05/23/1373490523.db2.gz MBHVPVWBDKJXGS-OIISXLGYSA-N 2 1 326.444 3.120 20 0 EGADMP C[C@@H]1CCC[NH2+][C@@H]1c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217702616 1373490524 /nfs/dbraw/zinc/49/05/24/1373490524.db2.gz MBHVPVWBDKJXGS-OIISXLGYSA-N 2 1 326.444 3.120 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@@](C)(CO[C@H]2CCC[NH2+]CC2)O1 ZINC001217778431 1373499548 /nfs/dbraw/zinc/49/95/48/1373499548.db2.gz OOOGHNSERRNSIG-FPOVZHCZSA-N 2 1 346.515 3.215 20 0 EGADMP [NH3+]Cc1cccc(CO[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC001217908678 1373511211 /nfs/dbraw/zinc/51/12/11/1373511211.db2.gz IBRLBGXIOSWAOW-LJQANCHMSA-N 2 1 328.431 3.466 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001130425313 1373532938 /nfs/dbraw/zinc/53/29/38/1373532938.db2.gz SZFLAICLQKKFIR-INIZCTEOSA-N 2 1 341.499 3.337 20 0 EGADMP c1ccc(C[N@@H+]2CCc3nc(O[C@H]4C[C@H]5CC[C@@H](C4)[NH2+]5)ccc3C2)cc1 ZINC001218183374 1373574303 /nfs/dbraw/zinc/57/43/03/1373574303.db2.gz AVKVQMKVTXFHHN-PMOLBWCYSA-N 2 1 349.478 3.302 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(O[C@H]4C[C@H]5CC[C@@H](C4)[NH2+]5)ccc3C2)cc1 ZINC001218183374 1373574307 /nfs/dbraw/zinc/57/43/07/1373574307.db2.gz AVKVQMKVTXFHHN-PMOLBWCYSA-N 2 1 349.478 3.302 20 0 EGADMP CC[C@@]1(c2cccc(O[C@@H]3CC[NH2+]CC(=O)C3)c2)CCCC[N@H+](C)C1 ZINC001218196410 1373576810 /nfs/dbraw/zinc/57/68/10/1373576810.db2.gz YFLSFXLTMULBJN-NHCUHLMSSA-N 2 1 344.499 3.150 20 0 EGADMP CC[C@@]1(c2cccc(O[C@@H]3CC[NH2+]CC(=O)C3)c2)CCCC[N@@H+](C)C1 ZINC001218196410 1373576813 /nfs/dbraw/zinc/57/68/13/1373576813.db2.gz YFLSFXLTMULBJN-NHCUHLMSSA-N 2 1 344.499 3.150 20 0 EGADMP c1ccc(C[N@@H+]2CCc3ccc(O[C@H]4C[C@H]5[NH2+]CC[C@H]5C4)nc3C2)cc1 ZINC001218252677 1373584042 /nfs/dbraw/zinc/58/40/42/1373584042.db2.gz UOGLBDKSYIUEIM-XUVXKRRUSA-N 2 1 349.478 3.159 20 0 EGADMP c1ccc(C[N@H+]2CCc3ccc(O[C@H]4C[C@H]5[NH2+]CC[C@H]5C4)nc3C2)cc1 ZINC001218252677 1373584044 /nfs/dbraw/zinc/58/40/44/1373584044.db2.gz UOGLBDKSYIUEIM-XUVXKRRUSA-N 2 1 349.478 3.159 20 0 EGADMP c1ccc(C[N@@H+]2CCc3nc(O[C@@H]4CC[C@@H]5C[NH2+]C[C@@H]45)ccc3C2)cc1 ZINC001218475042 1373620967 /nfs/dbraw/zinc/62/09/67/1373620967.db2.gz XTQZEXAGJUMVHN-YFVAEKQCSA-N 2 1 349.478 3.017 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(O[C@@H]4CC[C@@H]5C[NH2+]C[C@@H]45)ccc3C2)cc1 ZINC001218475042 1373620971 /nfs/dbraw/zinc/62/09/71/1373620971.db2.gz XTQZEXAGJUMVHN-YFVAEKQCSA-N 2 1 349.478 3.017 20 0 EGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222092340 1373816213 /nfs/dbraw/zinc/81/62/13/1373816213.db2.gz OYIRERYHPPKNFV-FQEVSTJZSA-N 2 1 345.531 3.279 20 0 EGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222092340 1373816218 /nfs/dbraw/zinc/81/62/18/1373816218.db2.gz OYIRERYHPPKNFV-FQEVSTJZSA-N 2 1 345.531 3.279 20 0 EGADMP Cc1cc(Br)cc(C[NH+]2CCC3(C[NH2+]C3)CC2)c1F ZINC001222207727 1373821137 /nfs/dbraw/zinc/82/11/37/1373821137.db2.gz FYSVTXFPZAROKS-UHFFFAOYSA-N 2 1 327.241 3.082 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CCC3CCCC3)[C@H]2C1 ZINC001223971700 1375050833 /nfs/dbraw/zinc/05/08/33/1375050833.db2.gz NMEUPLNSRWXINU-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CCC3CCCC3)[C@H]2C1 ZINC001223971700 1375050835 /nfs/dbraw/zinc/05/08/35/1375050835.db2.gz NMEUPLNSRWXINU-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CCC3CCCC3)[C@H]2C1 ZINC001223971700 1375050837 /nfs/dbraw/zinc/05/08/37/1375050837.db2.gz NMEUPLNSRWXINU-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC[NH+](CCC2CC2)CC1 ZINC001224883579 1375082382 /nfs/dbraw/zinc/08/23/82/1375082382.db2.gz FORYDDFOGZOBKB-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001225228651 1375098459 /nfs/dbraw/zinc/09/84/59/1375098459.db2.gz SPRNEVCBQGLRMY-GOSISDBHSA-N 2 1 345.531 3.226 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCCC(C)(C)C ZINC001132105544 1375149724 /nfs/dbraw/zinc/14/97/24/1375149724.db2.gz ITJHPUASLBXCGQ-IAGOWNOFSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCCC(C)(C)C ZINC001132105544 1375149725 /nfs/dbraw/zinc/14/97/25/1375149725.db2.gz ITJHPUASLBXCGQ-IAGOWNOFSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCCC(C)(C)C ZINC001132105544 1375149726 /nfs/dbraw/zinc/14/97/26/1375149726.db2.gz ITJHPUASLBXCGQ-IAGOWNOFSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CCC1CCCC1 ZINC001132105178 1375149791 /nfs/dbraw/zinc/14/97/91/1375149791.db2.gz BXLQIRZYJNWNSL-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CC1CC2(CCC2)C1 ZINC001132105905 1375151153 /nfs/dbraw/zinc/15/11/53/1375151153.db2.gz OGIKFQNWIBVCAY-SJLPKXTDSA-N 2 1 347.547 3.020 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)c2cc3c[nH]ccc-3n2)CC[C@H]1C ZINC001132133063 1375164007 /nfs/dbraw/zinc/16/40/07/1375164007.db2.gz XLXJSRMDESUDJQ-GDBMZVCRSA-N 2 1 328.460 3.336 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132150397 1375171428 /nfs/dbraw/zinc/17/14/28/1375171428.db2.gz QMVBXEALOFDVMP-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cccc(C)c2)C1 ZINC001132154357 1375174102 /nfs/dbraw/zinc/17/41/02/1375174102.db2.gz ZCOGIBSVBNYOMA-IEBWSBKVSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(C)c2)C1 ZINC001132154357 1375174104 /nfs/dbraw/zinc/17/41/04/1375174104.db2.gz ZCOGIBSVBNYOMA-IEBWSBKVSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(C)c2)C1 ZINC001132154357 1375174106 /nfs/dbraw/zinc/17/41/06/1375174106.db2.gz ZCOGIBSVBNYOMA-IEBWSBKVSA-N 2 1 345.531 3.194 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@H+]1CC1CCC1 ZINC001132202044 1375205712 /nfs/dbraw/zinc/20/57/12/1375205712.db2.gz BJQFQXIRZBOYHY-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@H+]1CC1CCC1 ZINC001132207205 1375209524 /nfs/dbraw/zinc/20/95/24/1375209524.db2.gz RAMRGCAIFRCTJG-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[NH+]1CC1CCC1 ZINC001132207205 1375209527 /nfs/dbraw/zinc/20/95/27/1375209527.db2.gz RAMRGCAIFRCTJG-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[NH+]1CC1CCC1 ZINC001132207205 1375209531 /nfs/dbraw/zinc/20/95/31/1375209531.db2.gz RAMRGCAIFRCTJG-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001132214231 1375213192 /nfs/dbraw/zinc/21/31/92/1375213192.db2.gz DVSXUNCXIGUWSU-MSOLQXFVSA-N 2 1 337.552 3.410 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001132214327 1375213696 /nfs/dbraw/zinc/21/36/96/1375213696.db2.gz FTMDPIOBABKKEB-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1 ZINC001226334222 1375242264 /nfs/dbraw/zinc/24/22/64/1375242264.db2.gz QPOPTBINXPOPCV-CGTJXYLNSA-N 2 1 346.519 3.214 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132265576 1375254404 /nfs/dbraw/zinc/25/44/04/1375254404.db2.gz PAZBNXXRWRRUTN-BUPXIBQPSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132339315 1375317948 /nfs/dbraw/zinc/31/79/48/1375317948.db2.gz DPNYFWZTWSMKMS-ZMGAVLDPSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001226776094 1375331144 /nfs/dbraw/zinc/33/11/44/1375331144.db2.gz ZVVVBRQVCRODMF-KZNAEPCWSA-N 2 1 346.519 3.214 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001132367763 1375332263 /nfs/dbraw/zinc/33/22/63/1375332263.db2.gz FUNAURNHIYDCBI-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001132375622 1375337902 /nfs/dbraw/zinc/33/79/02/1375337902.db2.gz GGDOSEOICFEEAF-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCF)C1 ZINC001132419971 1375368801 /nfs/dbraw/zinc/36/88/01/1375368801.db2.gz KZVXYOUXVINKPL-QZTJIDSGSA-N 2 1 343.531 3.217 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132434515 1375378126 /nfs/dbraw/zinc/37/81/26/1375378126.db2.gz YADLMRFDKROBSB-AEFFLSMTSA-N 2 1 325.541 3.124 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1Cc1cccc(F)c1 ZINC001132434481 1375378380 /nfs/dbraw/zinc/37/83/80/1375378380.db2.gz XJJJJRMPMNSVGP-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](C/C=C/c2ccccc2)C1 ZINC001132435377 1375379906 /nfs/dbraw/zinc/37/99/06/1375379906.db2.gz CICVJJUAPRDVJE-FFQNAWCLSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](C/C=C/c2ccccc2)C1 ZINC001132435377 1375379908 /nfs/dbraw/zinc/37/99/08/1375379908.db2.gz CICVJJUAPRDVJE-FFQNAWCLSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](C/C=C/c2ccccc2)C1 ZINC001132435377 1375379910 /nfs/dbraw/zinc/37/99/10/1375379910.db2.gz CICVJJUAPRDVJE-FFQNAWCLSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC2CCCC2)C1 ZINC001132436789 1375380900 /nfs/dbraw/zinc/38/09/00/1375380900.db2.gz OHUWIUYYKSPYIK-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2CCCC2)C1 ZINC001132436789 1375380902 /nfs/dbraw/zinc/38/09/02/1375380902.db2.gz OHUWIUYYKSPYIK-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC2CCCC2)C1 ZINC001132436789 1375380905 /nfs/dbraw/zinc/38/09/05/1375380905.db2.gz OHUWIUYYKSPYIK-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CCC(C)(C)C ZINC001132436722 1375381225 /nfs/dbraw/zinc/38/12/25/1375381225.db2.gz NCZXRIGTOXJJEY-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2=CCCCC2)C1 ZINC001132437454 1375382093 /nfs/dbraw/zinc/38/20/93/1375382093.db2.gz UVVGGXBXNOYJOA-PKOBYXMFSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2=CCCCC2)C1 ZINC001132437454 1375382094 /nfs/dbraw/zinc/38/20/94/1375382094.db2.gz UVVGGXBXNOYJOA-PKOBYXMFSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2=CCCCC2)C1 ZINC001132437454 1375382096 /nfs/dbraw/zinc/38/20/96/1375382096.db2.gz UVVGGXBXNOYJOA-PKOBYXMFSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccccc2C)C1 ZINC001132437371 1375382134 /nfs/dbraw/zinc/38/21/34/1375382134.db2.gz SMDYTMOGQXZSIC-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2C)C1 ZINC001132437371 1375382135 /nfs/dbraw/zinc/38/21/35/1375382135.db2.gz SMDYTMOGQXZSIC-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C)C1 ZINC001132437371 1375382136 /nfs/dbraw/zinc/38/21/36/1375382136.db2.gz SMDYTMOGQXZSIC-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CCC(C)(C)C ZINC001132518948 1375436832 /nfs/dbraw/zinc/43/68/32/1375436832.db2.gz QLWOALSKIGSMSF-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCc1cccc(C[N@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132522462 1375438085 /nfs/dbraw/zinc/43/80/85/1375438085.db2.gz PEDIZGSCRNGPBQ-FXAWDEMLSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1cccc(C[NH+]2C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132522462 1375438089 /nfs/dbraw/zinc/43/80/89/1375438089.db2.gz PEDIZGSCRNGPBQ-FXAWDEMLSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1cccc(C[NH+]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]2C)c1 ZINC001132522462 1375438091 /nfs/dbraw/zinc/43/80/91/1375438091.db2.gz PEDIZGSCRNGPBQ-FXAWDEMLSA-N 2 1 345.531 3.058 20 0 EGADMP CC1CCC(C[NH+]2CCC(NC(=O)CC[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001227877758 1375485828 /nfs/dbraw/zinc/48/58/28/1375485828.db2.gz YDFIGXXYOFVPGC-QLOJAFMTSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132888280 1375626977 /nfs/dbraw/zinc/62/69/77/1375626977.db2.gz LTJUOQWEISFQQZ-LXORQPIJSA-N 2 1 349.563 3.291 20 0 EGADMP C[N@@H+](CC(=O)NC1CC[NH+](CC2CCCCC2)CC1)CC(C)(C)C ZINC001229215804 1375788536 /nfs/dbraw/zinc/78/85/36/1375788536.db2.gz VIVFLWBNJNHCCE-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001133261647 1375877470 /nfs/dbraw/zinc/87/74/70/1375877470.db2.gz BVOLERVPAVUFRZ-ROUUACIJSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001133274358 1375889152 /nfs/dbraw/zinc/88/91/52/1375889152.db2.gz HACIIGAHODIGTN-QUCCMNQESA-N 2 1 349.563 3.293 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133274862 1375889674 /nfs/dbraw/zinc/88/96/74/1375889674.db2.gz NJBNIEGKZSOUOC-VXOKQSJXSA-N 2 1 337.552 3.149 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1 ZINC001229837265 1375901360 /nfs/dbraw/zinc/90/13/60/1375901360.db2.gz DCCBVGXDAAXEFF-DFQSSKMNSA-N 2 1 345.531 3.497 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC001229860492 1375904957 /nfs/dbraw/zinc/90/49/57/1375904957.db2.gz UZJKZWYSHRJGRA-ASOYJQDNSA-N 2 1 343.515 3.059 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC001230105559 1375944072 /nfs/dbraw/zinc/94/40/72/1375944072.db2.gz UJYPVKOWQMZOQT-IBGZPJMESA-N 2 1 331.504 3.060 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C ZINC001230147564 1375952037 /nfs/dbraw/zinc/95/20/37/1375952037.db2.gz IKNSZORMKGCBSY-IAGOWNOFSA-N 2 1 334.508 3.035 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001230359711 1376008541 /nfs/dbraw/zinc/00/85/41/1376008541.db2.gz HVDCCHOWBWJLLP-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001230374374 1376010194 /nfs/dbraw/zinc/01/01/94/1376010194.db2.gz UFYAXIVNIOGJOP-UHFFFAOYSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001230598437 1376094070 /nfs/dbraw/zinc/09/40/70/1376094070.db2.gz OOHOJNISDDNKMC-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001230598437 1376094073 /nfs/dbraw/zinc/09/40/73/1376094073.db2.gz OOHOJNISDDNKMC-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001230598437 1376094077 /nfs/dbraw/zinc/09/40/77/1376094077.db2.gz OOHOJNISDDNKMC-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001230598436 1376095158 /nfs/dbraw/zinc/09/51/58/1376095158.db2.gz OOHOJNISDDNKMC-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001230598436 1376095162 /nfs/dbraw/zinc/09/51/62/1376095162.db2.gz OOHOJNISDDNKMC-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001230598436 1376095168 /nfs/dbraw/zinc/09/51/68/1376095168.db2.gz OOHOJNISDDNKMC-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612498 1376102149 /nfs/dbraw/zinc/10/21/49/1376102149.db2.gz BQGUMCAYDTYKNL-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001230612498 1376102152 /nfs/dbraw/zinc/10/21/52/1376102152.db2.gz BQGUMCAYDTYKNL-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001230612498 1376102156 /nfs/dbraw/zinc/10/21/56/1376102156.db2.gz BQGUMCAYDTYKNL-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001230623013 1376104920 /nfs/dbraw/zinc/10/49/20/1376104920.db2.gz UUSJDZJRKNCWIU-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+]2CC2CC(C)C2)CC1 ZINC001230629990 1376107991 /nfs/dbraw/zinc/10/79/91/1376107991.db2.gz RGARPIXSPSXMSP-AFMYVXGZSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CC(C)C2)CC1 ZINC001230629990 1376107994 /nfs/dbraw/zinc/10/79/94/1376107994.db2.gz RGARPIXSPSXMSP-AFMYVXGZSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC2CC(C)C2)CC1 ZINC001230629990 1376108000 /nfs/dbraw/zinc/10/80/00/1376108000.db2.gz RGARPIXSPSXMSP-AFMYVXGZSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188970040 1388423695 /nfs/dbraw/zinc/42/36/95/1388423695.db2.gz FHBXHQNGKZHCCT-XUVXKRRUSA-N 2 1 343.515 3.012 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001327173418 1388421473 /nfs/dbraw/zinc/42/14/73/1388421473.db2.gz QDUJNYXITUFEJO-HXUWFJFHSA-N 2 1 349.563 3.413 20 0 EGADMP CCc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)s1 ZINC001231500351 1376251614 /nfs/dbraw/zinc/25/16/14/1376251614.db2.gz RIFCFVMCQNZPFO-XLIONFOSSA-N 2 1 348.556 3.491 20 0 EGADMP CCc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)s1 ZINC001231500351 1376251633 /nfs/dbraw/zinc/25/16/33/1376251633.db2.gz RIFCFVMCQNZPFO-XLIONFOSSA-N 2 1 348.556 3.491 20 0 EGADMP CCc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)s1 ZINC001231500351 1376251638 /nfs/dbraw/zinc/25/16/38/1376251638.db2.gz RIFCFVMCQNZPFO-XLIONFOSSA-N 2 1 348.556 3.491 20 0 EGADMP CCc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)s1 ZINC001231500351 1376251646 /nfs/dbraw/zinc/25/16/46/1376251646.db2.gz RIFCFVMCQNZPFO-XLIONFOSSA-N 2 1 348.556 3.491 20 0 EGADMP C[N@@H+](CC(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1)CC(C)(C)C ZINC001133906201 1376258773 /nfs/dbraw/zinc/25/87/73/1376258773.db2.gz PVGXNNSITPNQMO-UHFFFAOYSA-N 2 1 345.531 3.138 20 0 EGADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(OC(F)(F)C(F)F)cc3)C[C@@H]2C1 ZINC001231829290 1376323822 /nfs/dbraw/zinc/32/38/22/1376323822.db2.gz VIVGDTLXVWTYJG-KBPBESRZSA-N 2 1 346.368 3.307 20 0 EGADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232013522 1376381186 /nfs/dbraw/zinc/38/11/86/1376381186.db2.gz AXYHZFFXIFSAFP-HNNXBMFYSA-N 2 1 330.432 3.004 20 0 EGADMP Brc1[nH]c2ccccc2c1C[N@@H+]1CCc2nccn2CC1 ZINC001232144088 1376408645 /nfs/dbraw/zinc/40/86/45/1376408645.db2.gz KLHCQXOZYPTCMR-UHFFFAOYSA-N 2 1 345.244 3.185 20 0 EGADMP Brc1[nH]c2ccccc2c1CN1CCc2nccn2CC1 ZINC001232144088 1376408656 /nfs/dbraw/zinc/40/86/56/1376408656.db2.gz KLHCQXOZYPTCMR-UHFFFAOYSA-N 2 1 345.244 3.185 20 0 EGADMP CCC[N@@H+](Cc1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232366541 1376449113 /nfs/dbraw/zinc/44/91/13/1376449113.db2.gz XAMPDNVOZCQBBF-UHFFFAOYSA-N 2 1 338.499 3.246 20 0 EGADMP Nc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001232369918 1376450317 /nfs/dbraw/zinc/45/03/17/1376450317.db2.gz GDHCQIAMDMTASF-PMACEKPBSA-N 2 1 336.483 3.008 20 0 EGADMP CC[C@]1(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC[NH2+]C1 ZINC001327207348 1388443504 /nfs/dbraw/zinc/44/35/04/1388443504.db2.gz XSTLLHWTXJISIM-UZLBHIALSA-N 2 1 329.488 3.389 20 0 EGADMP Cc1cccc([C@@H](C)[NH+](C)CCCN(C)C(=O)C[N@H+](C)C2CCC2)c1 ZINC001327213214 1388446157 /nfs/dbraw/zinc/44/61/57/1388446157.db2.gz OAUJALCDSSNWBR-GOSISDBHSA-N 2 1 345.531 3.321 20 0 EGADMP Cc1cccc([C@@H](C)[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C2CCC2)c1 ZINC001327213214 1388446161 /nfs/dbraw/zinc/44/61/61/1388446161.db2.gz OAUJALCDSSNWBR-GOSISDBHSA-N 2 1 345.531 3.321 20 0 EGADMP C[N@H+]1CC[C@]2(CCN(Cc3ccc(-c4cccc(F)c4)nc3)C2)C1 ZINC001232890144 1376534834 /nfs/dbraw/zinc/53/48/34/1376534834.db2.gz PVYUKNSVYRMIKH-FQEVSTJZSA-N 2 1 325.431 3.415 20 0 EGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4cccc(F)c4)nc3)C2)C1 ZINC001232890144 1376534838 /nfs/dbraw/zinc/53/48/38/1376534838.db2.gz PVYUKNSVYRMIKH-FQEVSTJZSA-N 2 1 325.431 3.415 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4cccc(F)c4)nc3)C2)C1 ZINC001232890144 1376534843 /nfs/dbraw/zinc/53/48/43/1376534843.db2.gz PVYUKNSVYRMIKH-FQEVSTJZSA-N 2 1 325.431 3.415 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-c4cccc(F)c4)nc3)C2)C1 ZINC001232890144 1376534848 /nfs/dbraw/zinc/53/48/48/1376534848.db2.gz PVYUKNSVYRMIKH-FQEVSTJZSA-N 2 1 325.431 3.415 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(-c4cccc(F)c4)nc3)C2)C1 ZINC001232890144 1376534870 /nfs/dbraw/zinc/53/48/70/1376534870.db2.gz PVYUKNSVYRMIKH-FQEVSTJZSA-N 2 1 325.431 3.415 20 0 EGADMP Cc1cc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cnc1C ZINC001233158463 1376576680 /nfs/dbraw/zinc/57/66/80/1376576680.db2.gz IKHMJJWSSRMAFH-HDICACEKSA-N 2 1 327.497 3.324 20 0 EGADMP C[N@H+](Cc1cncc(Cl)n1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001233450241 1376649057 /nfs/dbraw/zinc/64/90/57/1376649057.db2.gz LTKBHVSRJMZKFN-UHFFFAOYSA-N 2 1 344.890 3.474 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+][C@H](C)c1ccccc1F ZINC001134726073 1376680436 /nfs/dbraw/zinc/68/04/36/1376680436.db2.gz PTBRBEALOCGBRB-OAHLLOKOSA-N 2 1 346.450 3.003 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235042180 1376838836 /nfs/dbraw/zinc/83/88/36/1376838836.db2.gz VGIIJSZGWARWQZ-OAQYLSRUSA-N 3 1 345.531 3.125 20 0 EGADMP C[NH+](C)CCCOc1ccc(CN2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235042180 1376838840 /nfs/dbraw/zinc/83/88/40/1376838840.db2.gz VGIIJSZGWARWQZ-OAQYLSRUSA-N 2 1 345.531 3.125 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235042179 1376839176 /nfs/dbraw/zinc/83/91/76/1376839176.db2.gz VGIIJSZGWARWQZ-NRFANRHFSA-N 3 1 345.531 3.125 20 0 EGADMP C[NH+](C)CCCOc1ccc(CN2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235042179 1376839186 /nfs/dbraw/zinc/83/91/86/1376839186.db2.gz VGIIJSZGWARWQZ-NRFANRHFSA-N 2 1 345.531 3.125 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001135032926 1376859943 /nfs/dbraw/zinc/85/99/43/1376859943.db2.gz HXXATWLUGCVZDZ-HOTGVXAUSA-N 2 1 346.519 3.035 20 0 EGADMP COc1cccc2[nH]cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c21 ZINC001235428999 1376869561 /nfs/dbraw/zinc/86/95/61/1376869561.db2.gz SJEUMFDTYZHYHJ-JKSUJKDBSA-N 2 1 327.472 3.388 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427560 1376870806 /nfs/dbraw/zinc/87/08/06/1376870806.db2.gz SJIQPOSJXSMXQD-QZTJIDSGSA-N 2 1 339.483 3.455 20 0 EGADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235427557 1376870977 /nfs/dbraw/zinc/87/09/77/1376870977.db2.gz MELBOJLOLLKKKW-OALUTQOASA-N 2 1 330.472 3.075 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135102303 1376899973 /nfs/dbraw/zinc/89/99/73/1376899973.db2.gz CBKIXDLAHVORMI-UYAOXDASSA-N 2 1 343.515 3.033 20 0 EGADMP COc1ccc2c(OC)ccc(C[N@@H+](C)C3(C)CC[NH2+]CC3)c2c1 ZINC001236227370 1376942431 /nfs/dbraw/zinc/94/24/31/1376942431.db2.gz DGUSBQILZSGITH-UHFFFAOYSA-N 2 1 328.456 3.431 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001135305354 1377028482 /nfs/dbraw/zinc/02/84/82/1377028482.db2.gz RWFBXZJIDKPCSO-KRWDZBQOSA-N 2 1 342.487 3.056 20 0 EGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246162044 1377050358 /nfs/dbraw/zinc/05/03/58/1377050358.db2.gz WHMQICXTNMGPKR-MORSLUCNSA-N 2 1 340.870 3.301 20 0 EGADMP Fc1ccc(N2CC[NH+]([C@H]3CC[NH2+]C4(CCCCC4)C3)CC2)cc1 ZINC001246543504 1377052654 /nfs/dbraw/zinc/05/26/54/1377052654.db2.gz YYGLHSRAOMONFL-IBGZPJMESA-N 2 1 331.479 3.403 20 0 EGADMP Cc1nc([C@H]2C[C@@H]3CC[N@@H+]([C@@H]4CC[NH2+][C@@H](C)C4)C[C@H]3O2)sc1C ZINC001246714697 1377053529 /nfs/dbraw/zinc/05/35/29/1377053529.db2.gz MEQWVBVUTCZPRF-YHAGNCMBSA-N 2 1 335.517 3.052 20 0 EGADMP Cc1nc([C@H]2C[C@@H]3CC[N@H+]([C@@H]4CC[NH2+][C@@H](C)C4)C[C@H]3O2)sc1C ZINC001246714697 1377053530 /nfs/dbraw/zinc/05/35/30/1377053530.db2.gz MEQWVBVUTCZPRF-YHAGNCMBSA-N 2 1 335.517 3.052 20 0 EGADMP CC(C)[C@@H]1C[C@H]([N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)CC[NH2+]1 ZINC001246728025 1377053533 /nfs/dbraw/zinc/05/35/33/1377053533.db2.gz JNUWRLHUFFZZPV-IYWMVGAKSA-N 2 1 341.499 3.033 20 0 EGADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246747805 1377053907 /nfs/dbraw/zinc/05/39/07/1377053907.db2.gz RXOKLLKPXRKSQY-XBVQOTNRSA-N 2 1 347.528 3.094 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN([C@@H]3CC[NH2+][C@H](C)C3)C[C@@H]21 ZINC001246764442 1377054390 /nfs/dbraw/zinc/05/43/90/1377054390.db2.gz GPZDFOJJDCTZHO-QANQIFJLSA-N 2 1 327.516 3.237 20 0 EGADMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+]([C@@H]3CC[NH2+][C@H](C)C3)C[C@@H]21 ZINC001246764442 1377054393 /nfs/dbraw/zinc/05/43/93/1377054393.db2.gz GPZDFOJJDCTZHO-QANQIFJLSA-N 3 1 327.516 3.237 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+]([C@@H]3CC[NH2+][C@H](C)C3)C[C@@H]21 ZINC001246764442 1377054396 /nfs/dbraw/zinc/05/43/96/1377054396.db2.gz GPZDFOJJDCTZHO-QANQIFJLSA-N 3 1 327.516 3.237 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+]([C@@H]3CC[NH2+][C@H](C)C3)C[C@@H]21 ZINC001246764442 1377054400 /nfs/dbraw/zinc/05/44/00/1377054400.db2.gz GPZDFOJJDCTZHO-QANQIFJLSA-N 3 1 327.516 3.237 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+]([C@@H]3CC[NH2+][C@H](C)C3)C[C@@H]21 ZINC001246764442 1377054405 /nfs/dbraw/zinc/05/44/05/1377054405.db2.gz GPZDFOJJDCTZHO-QANQIFJLSA-N 3 1 327.516 3.237 20 0 EGADMP Fc1cccc(C[N@H+]([C@@H]2CCC[NH2+]C2)[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001246938756 1377056033 /nfs/dbraw/zinc/05/60/33/1377056033.db2.gz TWGUZZOVNLKZTJ-NJYVYQBISA-N 3 1 345.506 3.302 20 0 EGADMP Fc1cccc(C[N@@H+]([C@@H]2CCC[NH2+]C2)[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001246938756 1377056035 /nfs/dbraw/zinc/05/60/35/1377056035.db2.gz TWGUZZOVNLKZTJ-NJYVYQBISA-N 3 1 345.506 3.302 20 0 EGADMP CC[C@@H](C(=O)N(C)CCC[N@@H+](C)CC1CCC(C)(C)CC1)[NH+](C)C ZINC001327276678 1388477280 /nfs/dbraw/zinc/47/72/80/1388477280.db2.gz DTTNUWWCVQAKAG-SFHVURJKSA-N 2 1 339.568 3.323 20 0 EGADMP Cc1ccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)cc1F ZINC001247908342 1377065362 /nfs/dbraw/zinc/06/53/62/1377065362.db2.gz RGKXPDOLXYVISM-UHFFFAOYSA-N 2 1 344.434 3.116 20 0 EGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1(c2ccccc2C(F)(F)F)CCC1 ZINC001253410344 1377098098 /nfs/dbraw/zinc/09/80/98/1377098098.db2.gz HHNRDAKLKSXJPH-CYBMUJFWSA-N 2 1 344.421 3.423 20 0 EGADMP CC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[NH+](C)CC1 ZINC001254529244 1377107146 /nfs/dbraw/zinc/10/71/46/1377107146.db2.gz FKVGWRMHKJJEDM-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C)CC1 ZINC001254529244 1377107149 /nfs/dbraw/zinc/10/71/49/1377107149.db2.gz FKVGWRMHKJJEDM-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254529244 1377107150 /nfs/dbraw/zinc/10/71/50/1377107150.db2.gz FKVGWRMHKJJEDM-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP Cc1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135468439 1377107661 /nfs/dbraw/zinc/10/76/61/1377107661.db2.gz PLIAQQOIVHLSMU-ROUUACIJSA-N 2 1 345.531 3.100 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCCF ZINC001135584418 1377155184 /nfs/dbraw/zinc/15/51/84/1377155184.db2.gz NALSCERLHILUTP-HOTGVXAUSA-N 2 1 340.487 3.019 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCCF ZINC001135584416 1377155195 /nfs/dbraw/zinc/15/51/95/1377155195.db2.gz NALSCERLHILUTP-CVEARBPZSA-N 2 1 340.487 3.019 20 0 EGADMP CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135585939 1377155539 /nfs/dbraw/zinc/15/55/39/1377155539.db2.gz UWODCWYXFOOPSO-NXVGNOFTSA-N 2 1 334.508 3.236 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C\Cl ZINC001135691519 1377184924 /nfs/dbraw/zinc/18/49/24/1377184924.db2.gz VTQFEMHGFCZJRX-SBKIPFDTSA-N 2 1 331.932 3.124 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(C)C ZINC001135690529 1377184979 /nfs/dbraw/zinc/18/49/79/1377184979.db2.gz IKYUANUDOLVSDK-ROUUACIJSA-N 2 1 327.557 3.418 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001135858484 1377237005 /nfs/dbraw/zinc/23/70/05/1377237005.db2.gz YPJLEEYXXLXMPV-HOTGVXAUSA-N 2 1 345.487 3.148 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001135861639 1377238743 /nfs/dbraw/zinc/23/87/43/1377238743.db2.gz UYBKMFYTWFIXHM-IAGOWNOFSA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1sccc1Cl ZINC001135976996 1377284747 /nfs/dbraw/zinc/28/47/47/1377284747.db2.gz PHTAIXOPYVNAJF-QWHCGFSZSA-N 2 1 345.940 3.116 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001135980169 1377285698 /nfs/dbraw/zinc/28/56/98/1377285698.db2.gz LXDUMIRYLIHYLP-IRXDYDNUSA-N 2 1 345.531 3.279 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001135980660 1377285765 /nfs/dbraw/zinc/28/57/65/1377285765.db2.gz REXJHLHDDIZXLG-HUUCEWRRSA-N 2 1 339.911 3.055 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(CC)c1 ZINC001135992872 1377291527 /nfs/dbraw/zinc/29/15/27/1377291527.db2.gz WBHJQGGPPPCXMZ-QZTJIDSGSA-N 2 1 347.547 3.354 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC001135995623 1377292012 /nfs/dbraw/zinc/29/20/12/1377292012.db2.gz IRSZKGKHTRKKOG-IAGOWNOFSA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001135997120 1377292760 /nfs/dbraw/zinc/29/27/60/1377292760.db2.gz YRYSUHFAWNDIDN-MSOLQXFVSA-N 2 1 337.552 3.482 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(-n3ccnc3)c(F)c2)C1 ZINC001136329714 1377377624 /nfs/dbraw/zinc/37/76/24/1377377624.db2.gz LZZLQYFTVUJQRH-CQSZACIVSA-N 2 1 330.407 3.072 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001136465502 1377395786 /nfs/dbraw/zinc/39/57/86/1377395786.db2.gz OSMMUMRXTJGOGG-QGZVFWFLSA-N 2 1 347.503 3.260 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001266972092 1377405946 /nfs/dbraw/zinc/40/59/46/1377405946.db2.gz UISJXDCBOSZRCQ-IRXDYDNUSA-N 2 1 333.520 3.128 20 0 EGADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001267071120 1377410151 /nfs/dbraw/zinc/41/01/51/1377410151.db2.gz DQBSRNHMWZUFHI-WMZOPIPTSA-N 2 1 345.531 3.045 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cnc3cc(C)ccn23)CC1 ZINC001136887923 1377436247 /nfs/dbraw/zinc/43/62/47/1377436247.db2.gz KSUBKQBOZSDZPY-UHFFFAOYSA-N 2 1 335.455 3.085 20 0 EGADMP COc1ncc(C[N@H+](C)C2CCN(Cc3ccccc3)CC2)cc1C ZINC001137000640 1377454429 /nfs/dbraw/zinc/45/44/29/1377454429.db2.gz ZQVNFKFNLHCWHM-UHFFFAOYSA-N 2 1 339.483 3.495 20 0 EGADMP COc1ncc(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)cc1C ZINC001137000640 1377454435 /nfs/dbraw/zinc/45/44/35/1377454435.db2.gz ZQVNFKFNLHCWHM-UHFFFAOYSA-N 2 1 339.483 3.495 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+](Cc2c[nH]c3c2cccc3F)CC1 ZINC001137058000 1377469086 /nfs/dbraw/zinc/46/90/86/1377469086.db2.gz ZXVMHKMXNPQXKJ-UHFFFAOYSA-N 2 1 346.494 3.157 20 0 EGADMP COc1cccc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001137535351 1377562327 /nfs/dbraw/zinc/56/23/27/1377562327.db2.gz JEVSSFAXINLCKJ-MOPGFXCFSA-N 2 1 337.467 3.044 20 0 EGADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C)c1F)C2 ZINC001137674664 1377588475 /nfs/dbraw/zinc/58/84/75/1377588475.db2.gz CHMPFQNIGXIJRN-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C)c1F)C2 ZINC001137674664 1377588482 /nfs/dbraw/zinc/58/84/82/1377588482.db2.gz CHMPFQNIGXIJRN-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(C)c1F)C2 ZINC001137674664 1377588491 /nfs/dbraw/zinc/58/84/91/1377588491.db2.gz CHMPFQNIGXIJRN-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(C)c1F)C2 ZINC001137674664 1377588503 /nfs/dbraw/zinc/58/85/03/1377588503.db2.gz CHMPFQNIGXIJRN-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP CC[C@@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001270650776 1377608789 /nfs/dbraw/zinc/60/87/89/1377608789.db2.gz YFXNDDRNDGWBNL-PZJWPPBQSA-N 2 1 345.531 3.231 20 0 EGADMP Cc1cccc(C)c1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001137849165 1377630353 /nfs/dbraw/zinc/63/03/53/1377630353.db2.gz GPBSRWQLQBEVLO-UHFFFAOYSA-N 2 1 338.499 3.154 20 0 EGADMP COc1cc(C)c(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc1OC ZINC001138440191 1377725037 /nfs/dbraw/zinc/72/50/37/1377725037.db2.gz DUGPOTWUXNEJPS-UHFFFAOYSA-N 2 1 341.455 3.038 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(Oc3cnccn3)CC2)cc1 ZINC001138549630 1377740206 /nfs/dbraw/zinc/74/02/06/1377740206.db2.gz AZHLCOHXALEKFU-UHFFFAOYSA-N 2 1 349.438 3.014 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(c3ccn(C)n3)CC2)cc1 ZINC001138549720 1377740734 /nfs/dbraw/zinc/74/07/34/1377740734.db2.gz CGYHMLRECQZVRF-UHFFFAOYSA-N 2 1 335.455 3.294 20 0 EGADMP COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c2c(OC)cccc12 ZINC001138749204 1377780329 /nfs/dbraw/zinc/78/03/29/1377780329.db2.gz WBNMSHLAAXUCTH-WBVHZDCISA-N 2 1 340.467 3.241 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139324009 1377868592 /nfs/dbraw/zinc/86/85/92/1377868592.db2.gz WBQYXBIOYGYCSJ-GOSISDBHSA-N 2 1 344.528 3.478 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139324009 1377868595 /nfs/dbraw/zinc/86/85/95/1377868595.db2.gz WBQYXBIOYGYCSJ-GOSISDBHSA-N 2 1 344.528 3.478 20 0 EGADMP CC[N@@H+]1C[C@H]2CN(Cc3cnc(-c4ccc(F)cc4)s3)C[C@H]2C1 ZINC001140099208 1378007684 /nfs/dbraw/zinc/00/76/84/1378007684.db2.gz XPOPENMGHHTNMY-GASCZTMLSA-N 2 1 331.460 3.333 20 0 EGADMP CC[N@@H+](Cc1cnc(-c2cccc(OC)c2)nc1)C1CCN(C)CC1 ZINC001140194504 1378030178 /nfs/dbraw/zinc/03/01/78/1378030178.db2.gz FKBSNJZEZVOWRP-UHFFFAOYSA-N 2 1 340.471 3.068 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c[nH]c3cccc(O)c23)CC1 ZINC001140234089 1378035151 /nfs/dbraw/zinc/03/51/51/1378035151.db2.gz NMKGMZFEXNTORR-UHFFFAOYSA-N 2 1 336.439 3.316 20 0 EGADMP CC[NH+](CC)CCN1CC[NH+](Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC001140433464 1378061790 /nfs/dbraw/zinc/06/17/90/1378061790.db2.gz CXXGSTPSRYSIKF-UHFFFAOYSA-N 2 1 348.922 3.281 20 0 EGADMP Cn1cnc2cc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)ccc21 ZINC001140507734 1378074888 /nfs/dbraw/zinc/07/48/88/1378074888.db2.gz PFAUDQYIDZUKMF-GOSISDBHSA-N 2 1 326.488 3.414 20 0 EGADMP CC[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC[NH+]1CCCCC1 ZINC001272715984 1378080048 /nfs/dbraw/zinc/08/00/48/1378080048.db2.gz BPNYKLRQEQBKCZ-QUCCMNQESA-N 2 1 335.536 3.118 20 0 EGADMP CC[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2CCC[NH+]1CCCCC1 ZINC001272715984 1378080049 /nfs/dbraw/zinc/08/00/49/1378080049.db2.gz BPNYKLRQEQBKCZ-QUCCMNQESA-N 2 1 335.536 3.118 20 0 EGADMP Cc1ccc(F)cc1C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001140592188 1378092745 /nfs/dbraw/zinc/09/27/45/1378092745.db2.gz ZDOCIUILGMPFER-QUCCMNQESA-N 2 1 339.458 3.483 20 0 EGADMP Cc1ccc(F)cc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001140592188 1378092747 /nfs/dbraw/zinc/09/27/47/1378092747.db2.gz ZDOCIUILGMPFER-QUCCMNQESA-N 2 1 339.458 3.483 20 0 EGADMP Cc1ccc(F)cc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001140592188 1378092749 /nfs/dbraw/zinc/09/27/49/1378092749.db2.gz ZDOCIUILGMPFER-QUCCMNQESA-N 2 1 339.458 3.483 20 0 EGADMP Cc1ccc(F)cc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001140592188 1378092751 /nfs/dbraw/zinc/09/27/51/1378092751.db2.gz ZDOCIUILGMPFER-QUCCMNQESA-N 2 1 339.458 3.483 20 0 EGADMP Cc1ccc(F)cc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001140592188 1378092753 /nfs/dbraw/zinc/09/27/53/1378092753.db2.gz ZDOCIUILGMPFER-QUCCMNQESA-N 2 1 339.458 3.483 20 0 EGADMP CCCC[C@H](CC)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC1)C2 ZINC001273363851 1378100077 /nfs/dbraw/zinc/10/00/77/1378100077.db2.gz QLVKDIZQNLOAPG-PZJWPPBQSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[C@H](CC)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC1)C2 ZINC001273363851 1378100079 /nfs/dbraw/zinc/10/00/79/1378100079.db2.gz QLVKDIZQNLOAPG-PZJWPPBQSA-N 2 1 349.563 3.223 20 0 EGADMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cc[nH]c1)CC2 ZINC001140707129 1378120207 /nfs/dbraw/zinc/12/02/07/1378120207.db2.gz ZXXGZTLDBNZZOS-UHFFFAOYSA-N 2 1 328.460 3.250 20 0 EGADMP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cc[nH]c1)CC2 ZINC001140707129 1378120211 /nfs/dbraw/zinc/12/02/11/1378120211.db2.gz ZXXGZTLDBNZZOS-UHFFFAOYSA-N 2 1 328.460 3.250 20 0 EGADMP FC(F)(F)CCC[NH+]1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275165769 1378137238 /nfs/dbraw/zinc/13/72/38/1378137238.db2.gz JLYJJMRGOTWPMP-UHFFFAOYSA-N 2 1 344.425 3.430 20 0 EGADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140801314 1378139211 /nfs/dbraw/zinc/13/92/11/1378139211.db2.gz JMECGTPVWGBPDJ-JDFRZJQESA-N 2 1 342.443 3.050 20 0 EGADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140801314 1378139215 /nfs/dbraw/zinc/13/92/15/1378139215.db2.gz JMECGTPVWGBPDJ-JDFRZJQESA-N 2 1 342.443 3.050 20 0 EGADMP O=C1Nc2ccccc2C12CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140802454 1378140886 /nfs/dbraw/zinc/14/08/86/1378140886.db2.gz WDQJPMFGSJVZQU-UHFFFAOYSA-N 2 1 332.407 3.049 20 0 EGADMP C[N@H+](CCCCNC(=O)OC(C)(C)C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805496 1378144255 /nfs/dbraw/zinc/14/42/55/1378144255.db2.gz HPJORBVNTOFMGC-UHFFFAOYSA-N 2 1 332.448 3.300 20 0 EGADMP C[N@@H+](CCCCNC(=O)OC(C)(C)C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805496 1378144258 /nfs/dbraw/zinc/14/42/58/1378144258.db2.gz HPJORBVNTOFMGC-UHFFFAOYSA-N 2 1 332.448 3.300 20 0 EGADMP CC1(C)[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC[C@]12c1ccccc1OC2=O ZINC001140806119 1378147146 /nfs/dbraw/zinc/14/71/46/1378147146.db2.gz VVVJOWXFEATKOB-OAQYLSRUSA-N 2 1 347.418 3.404 20 0 EGADMP CC1(C)[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CC[C@]12c1ccccc1OC2=O ZINC001140806119 1378147149 /nfs/dbraw/zinc/14/71/49/1378147149.db2.gz VVVJOWXFEATKOB-OAQYLSRUSA-N 2 1 347.418 3.404 20 0 EGADMP Cc1nccnc1C[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001140936517 1378184531 /nfs/dbraw/zinc/18/45/31/1378184531.db2.gz QSYVTRBQLYJJEJ-LJQANCHMSA-N 2 1 340.471 3.255 20 0 EGADMP Cc1nccnc1C[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001140936516 1378184819 /nfs/dbraw/zinc/18/48/19/1378184819.db2.gz QSYVTRBQLYJJEJ-IBGZPJMESA-N 2 1 340.471 3.255 20 0 EGADMP Cc1c[nH]c(=O)c(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)c1 ZINC001276871892 1378190025 /nfs/dbraw/zinc/19/00/25/1378190025.db2.gz GTTJMARWHZJQQR-UHFFFAOYSA-N 2 1 329.488 3.326 20 0 EGADMP CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CC[N@H+]2CC1(C)CCCCC1 ZINC001277620205 1378239797 /nfs/dbraw/zinc/23/97/97/1378239797.db2.gz FAKBIPSIKOVJDO-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc(-n3ccnc3)c2)CC1 ZINC001141242108 1378281696 /nfs/dbraw/zinc/28/16/96/1378281696.db2.gz PNVHOGZJVOPIGF-UHFFFAOYSA-N 2 1 326.488 3.425 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccc(N(C)C)c3)C2)C1 ZINC001141259592 1378286676 /nfs/dbraw/zinc/28/66/76/1378286676.db2.gz XLHOQPNAFRRAMU-OAQYLSRUSA-N 2 1 345.531 3.075 20 0 EGADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccc(N(C)C)c3)C2)C1 ZINC001141259592 1378286688 /nfs/dbraw/zinc/28/66/88/1378286688.db2.gz XLHOQPNAFRRAMU-OAQYLSRUSA-N 2 1 345.531 3.075 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3cccc(N(C)C)c3)C2)C1 ZINC001141259592 1378286694 /nfs/dbraw/zinc/28/66/94/1378286694.db2.gz XLHOQPNAFRRAMU-OAQYLSRUSA-N 2 1 345.531 3.075 20 0 EGADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3cccc(N(C)C)c3)C2)C1 ZINC001141259592 1378286699 /nfs/dbraw/zinc/28/66/99/1378286699.db2.gz XLHOQPNAFRRAMU-OAQYLSRUSA-N 2 1 345.531 3.075 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)C1CCCCC1 ZINC001141406362 1378319472 /nfs/dbraw/zinc/31/94/72/1378319472.db2.gz SDNGDFDOQVOUAM-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP c1n[nH]cc1C[NH+]1CC2(C1)CC[NH+](CCc1c[nH]c3ccccc13)CC2 ZINC001280261389 1378337524 /nfs/dbraw/zinc/33/75/24/1378337524.db2.gz LNCQMUFPHYDUQA-UHFFFAOYSA-N 2 1 349.482 3.032 20 0 EGADMP C[NH+](C)C1CC[NH+](Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC001142388196 1378437945 /nfs/dbraw/zinc/43/79/45/1378437945.db2.gz QKKYWDGIAIMYIR-UHFFFAOYSA-N 2 1 336.277 3.456 20 0 EGADMP c1cn2cccc(C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2n1 ZINC001142961210 1378516401 /nfs/dbraw/zinc/51/64/01/1378516401.db2.gz FYSARKODQLGSOA-QFIPXVFZSA-N 2 1 346.478 3.432 20 0 EGADMP c1cn2cccc(C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)c2n1 ZINC001142961210 1378516407 /nfs/dbraw/zinc/51/64/07/1378516407.db2.gz FYSARKODQLGSOA-QFIPXVFZSA-N 2 1 346.478 3.432 20 0 EGADMP c1cn2cccc(C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)c2n1 ZINC001142961210 1378516408 /nfs/dbraw/zinc/51/64/08/1378516408.db2.gz FYSARKODQLGSOA-QFIPXVFZSA-N 2 1 346.478 3.432 20 0 EGADMP c1cn2cccc(C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)c2n1 ZINC001142961210 1378516413 /nfs/dbraw/zinc/51/64/13/1378516413.db2.gz FYSARKODQLGSOA-QFIPXVFZSA-N 2 1 346.478 3.432 20 0 EGADMP c1cn2cccc(C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2n1 ZINC001142961209 1378516833 /nfs/dbraw/zinc/51/68/33/1378516833.db2.gz FYSARKODQLGSOA-JOCHJYFZSA-N 2 1 346.478 3.432 20 0 EGADMP c1cn2cccc(C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)c2n1 ZINC001142961209 1378516841 /nfs/dbraw/zinc/51/68/41/1378516841.db2.gz FYSARKODQLGSOA-JOCHJYFZSA-N 2 1 346.478 3.432 20 0 EGADMP c1cn2cccc(C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)c2n1 ZINC001142961209 1378516844 /nfs/dbraw/zinc/51/68/44/1378516844.db2.gz FYSARKODQLGSOA-JOCHJYFZSA-N 2 1 346.478 3.432 20 0 EGADMP c1cn2cccc(C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)c2n1 ZINC001142961209 1378516849 /nfs/dbraw/zinc/51/68/49/1378516849.db2.gz FYSARKODQLGSOA-JOCHJYFZSA-N 2 1 346.478 3.432 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCCCC[N@H+]2CC2CCCC2)CCC1 ZINC001282668231 1378541440 /nfs/dbraw/zinc/54/14/40/1378541440.db2.gz VYABGDSIFSNSCA-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001143838516 1378651931 /nfs/dbraw/zinc/65/19/31/1378651931.db2.gz LJIWWOJSEXTVCI-PKOBYXMFSA-N 2 1 345.531 3.352 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001146593042 1378873500 /nfs/dbraw/zinc/87/35/00/1378873500.db2.gz MSXKXGDMIGCHDW-SJORKVTESA-N 2 1 325.541 3.170 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707699 1378904024 /nfs/dbraw/zinc/90/40/24/1378904024.db2.gz XXXGTBPOURXALS-QZTJIDSGSA-N 2 1 347.547 3.428 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707699 1378904026 /nfs/dbraw/zinc/90/40/26/1378904026.db2.gz XXXGTBPOURXALS-QZTJIDSGSA-N 2 1 347.547 3.428 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)CC(C)C)C2 ZINC001147658677 1379056484 /nfs/dbraw/zinc/05/64/84/1379056484.db2.gz WYBALOBCZJEGLU-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@H](C)CC(C)C)C2 ZINC001147658677 1379056486 /nfs/dbraw/zinc/05/64/86/1379056486.db2.gz WYBALOBCZJEGLU-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@H](C)CC(C)C)C2 ZINC001147658677 1379056489 /nfs/dbraw/zinc/05/64/89/1379056489.db2.gz WYBALOBCZJEGLU-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284915 1379145139 /nfs/dbraw/zinc/14/51/39/1379145139.db2.gz JKHREKLJLCSHQB-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CC/C=C\CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001148458133 1379176057 /nfs/dbraw/zinc/17/60/57/1379176057.db2.gz KMFBNUQAEYIYDQ-CLFYSBASSA-N 2 1 349.563 3.389 20 0 EGADMP CC/C=C\CC[N@H+]1CCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001148458133 1379176060 /nfs/dbraw/zinc/17/60/60/1379176060.db2.gz KMFBNUQAEYIYDQ-CLFYSBASSA-N 2 1 349.563 3.389 20 0 EGADMP CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001148458133 1379176061 /nfs/dbraw/zinc/17/60/61/1379176061.db2.gz KMFBNUQAEYIYDQ-CLFYSBASSA-N 2 1 349.563 3.389 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001148643160 1379233332 /nfs/dbraw/zinc/23/33/32/1379233332.db2.gz SKNGVWVDINIMEE-GFCCVEGCSA-N 2 1 346.302 3.102 20 0 EGADMP C[NH2+]C[C@@H](C)CN[C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC001327841110 1388604007 /nfs/dbraw/zinc/60/40/07/1388604007.db2.gz VFCBQRXBMLTQLK-SJORKVTESA-N 2 1 333.520 3.187 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[N@H+](CC)CCC(C)C ZINC001153445738 1380078106 /nfs/dbraw/zinc/07/81/06/1380078106.db2.gz IHYIPERJCUMNTC-DLBZAZTESA-N 2 1 336.524 3.269 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C ZINC001153445738 1380078108 /nfs/dbraw/zinc/07/81/08/1380078108.db2.gz IHYIPERJCUMNTC-DLBZAZTESA-N 2 1 336.524 3.269 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001153653689 1380110738 /nfs/dbraw/zinc/11/07/38/1380110738.db2.gz AJMWODJAXIAHKB-SKFQIZJUSA-N 2 1 343.531 3.239 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1cccc(C)c1 ZINC001153720501 1380118670 /nfs/dbraw/zinc/11/86/70/1380118670.db2.gz GRRDDKYZNZNYCY-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(C)c1 ZINC001153720501 1380118674 /nfs/dbraw/zinc/11/86/74/1380118674.db2.gz GRRDDKYZNZNYCY-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(C)c1 ZINC001153720501 1380118676 /nfs/dbraw/zinc/11/86/76/1380118676.db2.gz GRRDDKYZNZNYCY-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1sccc1Cl)[NH+](C)C ZINC001153998084 1380174545 /nfs/dbraw/zinc/17/45/45/1380174545.db2.gz HPUQAKLNNLMNBQ-TZMCWYRMSA-N 2 1 345.940 3.068 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1sccc1Cl)[NH+](C)C ZINC001153998084 1380174548 /nfs/dbraw/zinc/17/45/48/1380174548.db2.gz HPUQAKLNNLMNBQ-TZMCWYRMSA-N 2 1 345.940 3.068 20 0 EGADMP CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154123049 1380213191 /nfs/dbraw/zinc/21/31/91/1380213191.db2.gz MIXONONROLMWOI-QZTJIDSGSA-N 2 1 343.531 3.073 20 0 EGADMP CC[NH+](CCCCCF)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001154123049 1380213193 /nfs/dbraw/zinc/21/31/93/1380213193.db2.gz MIXONONROLMWOI-QZTJIDSGSA-N 2 1 343.531 3.073 20 0 EGADMP CC[NH+](CCCCCF)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001154123049 1380213195 /nfs/dbraw/zinc/21/31/95/1380213195.db2.gz MIXONONROLMWOI-QZTJIDSGSA-N 2 1 343.531 3.073 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178713 1380222014 /nfs/dbraw/zinc/22/20/14/1380222014.db2.gz MUIUMNZPKZEBTL-OAHLLOKOSA-N 2 1 342.487 3.211 20 0 EGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154481770 1380286619 /nfs/dbraw/zinc/28/66/19/1380286619.db2.gz UENMEBACQQREQP-GOSISDBHSA-N 2 1 345.531 3.197 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001154784993 1380350750 /nfs/dbraw/zinc/35/07/50/1380350750.db2.gz VATLSYCNPFQUIA-QZTJIDSGSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001154784993 1380350751 /nfs/dbraw/zinc/35/07/51/1380350751.db2.gz VATLSYCNPFQUIA-QZTJIDSGSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001154784993 1380350752 /nfs/dbraw/zinc/35/07/52/1380350752.db2.gz VATLSYCNPFQUIA-QZTJIDSGSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904245 1380374625 /nfs/dbraw/zinc/37/46/25/1380374625.db2.gz QJCBIWVOACNABA-CYBMUJFWSA-N 2 1 345.940 3.070 20 0 EGADMP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155023463 1380393156 /nfs/dbraw/zinc/39/31/56/1380393156.db2.gz GZSKJJOOFUUHEM-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCc1ccccc1)[NH+](CC)CC ZINC001155174985 1380419730 /nfs/dbraw/zinc/41/97/30/1380419730.db2.gz OAJLGRGBLBPVDM-UYAOXDASSA-N 2 1 347.547 3.176 20 0 EGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155254877 1380429464 /nfs/dbraw/zinc/42/94/64/1380429464.db2.gz HMSJREJIWYYMKQ-ZWKOTPCHSA-N 2 1 335.536 3.045 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001155254877 1380429465 /nfs/dbraw/zinc/42/94/65/1380429465.db2.gz HMSJREJIWYYMKQ-ZWKOTPCHSA-N 2 1 335.536 3.045 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001155254877 1380429466 /nfs/dbraw/zinc/42/94/66/1380429466.db2.gz HMSJREJIWYYMKQ-ZWKOTPCHSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCc1ccccc1C)[NH+](C)C ZINC001155289739 1380433988 /nfs/dbraw/zinc/43/39/88/1380433988.db2.gz WONCADLXLVGUBP-QUCCMNQESA-N 2 1 347.547 3.094 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C)C(C)C ZINC001155883848 1380502542 /nfs/dbraw/zinc/50/25/42/1380502542.db2.gz MHFAMDRJZDCRPY-QZTJIDSGSA-N 2 1 325.541 3.146 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC001155997491 1380511914 /nfs/dbraw/zinc/51/19/14/1380511914.db2.gz CXLDOQHYHXUCAQ-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001155997491 1380511916 /nfs/dbraw/zinc/51/19/16/1380511916.db2.gz CXLDOQHYHXUCAQ-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001155997491 1380511918 /nfs/dbraw/zinc/51/19/18/1380511918.db2.gz CXLDOQHYHXUCAQ-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cncc(Br)c2)C1 ZINC001328083713 1388665826 /nfs/dbraw/zinc/66/58/26/1388665826.db2.gz DYOXMQFUUSSXQB-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cncc(Br)c2)C1 ZINC001328083713 1388665830 /nfs/dbraw/zinc/66/58/30/1388665830.db2.gz DYOXMQFUUSSXQB-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP CC[N@@H+](CCc1ccc(C)cc1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475904 1380581044 /nfs/dbraw/zinc/58/10/44/1380581044.db2.gz XHVGULHKUVNHNL-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC/C=C/c1ccccc1 ZINC001156529497 1380588745 /nfs/dbraw/zinc/58/87/45/1380588745.db2.gz BQBAJFAVCYLTCQ-NRJHKNTJSA-N 2 1 345.531 3.258 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC/C=C/c1ccccc1 ZINC001156529497 1380588747 /nfs/dbraw/zinc/58/87/47/1380588747.db2.gz BQBAJFAVCYLTCQ-NRJHKNTJSA-N 2 1 345.531 3.258 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)CC1(C)C ZINC001328102519 1388674309 /nfs/dbraw/zinc/67/43/09/1388674309.db2.gz NNRGFWBMEUTCBE-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156961477 1380738598 /nfs/dbraw/zinc/73/85/98/1380738598.db2.gz TYNFUEVUGRUUEG-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157118964 1380779682 /nfs/dbraw/zinc/77/96/82/1380779682.db2.gz QGMLSMPCLVZKNK-FAPWYTRCSA-N 2 1 337.552 3.290 20 0 EGADMP CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157118923 1380779768 /nfs/dbraw/zinc/77/97/68/1380779768.db2.gz OYNGLHMCDKEDAF-UYAOXDASSA-N 2 1 345.531 3.134 20 0 EGADMP CC[N@@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157114385 1380780453 /nfs/dbraw/zinc/78/04/53/1380780453.db2.gz WWPWQEOYVGYPAC-QGZVFWFLSA-N 2 1 339.568 3.370 20 0 EGADMP CC[NH+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157114385 1380780456 /nfs/dbraw/zinc/78/04/56/1380780456.db2.gz WWPWQEOYVGYPAC-QGZVFWFLSA-N 2 1 339.568 3.370 20 0 EGADMP CC[NH+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157114385 1380780459 /nfs/dbraw/zinc/78/04/59/1380780459.db2.gz WWPWQEOYVGYPAC-QGZVFWFLSA-N 2 1 339.568 3.370 20 0 EGADMP C[N@@H+]1CCN(C(=O)c2cccc([C@@H]3CCC[NH2+]3)c2)[C@@H](c2ccccc2)C1 ZINC001157508698 1380949522 /nfs/dbraw/zinc/94/95/22/1380949522.db2.gz XBHIHIFPHBMFGH-LEWJYISDSA-N 2 1 349.478 3.240 20 0 EGADMP C[N@H+]1CCN(C(=O)c2cccc([C@@H]3CCC[NH2+]3)c2)[C@@H](c2ccccc2)C1 ZINC001157508698 1380949535 /nfs/dbraw/zinc/94/95/35/1380949535.db2.gz XBHIHIFPHBMFGH-LEWJYISDSA-N 2 1 349.478 3.240 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001158354301 1381214481 /nfs/dbraw/zinc/21/44/81/1381214481.db2.gz HNEDWEWWIRADPZ-KRWDZBQOSA-N 2 1 348.535 3.463 20 0 EGADMP Cc1cc(C)cc(C[N@H+](C)C[C@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001158434406 1381244556 /nfs/dbraw/zinc/24/45/56/1381244556.db2.gz KGWDPUGKPLJRQC-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)C[C@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001158450249 1381249000 /nfs/dbraw/zinc/24/90/00/1381249000.db2.gz PGBXHQIGTVRVFV-AZUAARDMSA-N 2 1 345.531 3.321 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H]1C ZINC001158474275 1381257980 /nfs/dbraw/zinc/25/79/80/1381257980.db2.gz VYMCKZSAESTZRL-PKOBYXMFSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001158474275 1381257983 /nfs/dbraw/zinc/25/79/83/1381257983.db2.gz VYMCKZSAESTZRL-PKOBYXMFSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC001158474275 1381257988 /nfs/dbraw/zinc/25/79/88/1381257988.db2.gz VYMCKZSAESTZRL-PKOBYXMFSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC001158625335 1381328858 /nfs/dbraw/zinc/32/88/58/1381328858.db2.gz ODSUDSURBVUDEG-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCC2CC2)CC1 ZINC001158680737 1381350054 /nfs/dbraw/zinc/35/00/54/1381350054.db2.gz ZEYSSYXEQNNZIX-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158768164 1381389447 /nfs/dbraw/zinc/38/94/47/1381389447.db2.gz LUUWIBPMMIYWMI-GOSISDBHSA-N 2 1 325.541 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)C[C@@H](C)CC(C)C ZINC001158786853 1381399475 /nfs/dbraw/zinc/39/94/75/1381399475.db2.gz IJUNLLHBIIWTAO-RBUKOAKNSA-N 2 1 339.568 3.323 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@@H](C)CC(C)C ZINC001158786853 1381399486 /nfs/dbraw/zinc/39/94/86/1381399486.db2.gz IJUNLLHBIIWTAO-RBUKOAKNSA-N 2 1 339.568 3.323 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)C[C@@H](C)CC(C)C ZINC001158786853 1381399492 /nfs/dbraw/zinc/39/94/92/1381399492.db2.gz IJUNLLHBIIWTAO-RBUKOAKNSA-N 2 1 339.568 3.323 20 0 EGADMP COc1cc2[nH+]c(NCC34CC[NH+](CC3)CC4)ccc2c(OC)c1 ZINC001158833472 1381424340 /nfs/dbraw/zinc/42/43/40/1381424340.db2.gz SGANOKKDGRIXJG-UHFFFAOYSA-N 2 1 327.428 3.150 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159917471 1381936683 /nfs/dbraw/zinc/93/66/83/1381936683.db2.gz XAUTXTHVZNTMDR-IBGZPJMESA-N 2 1 335.536 3.070 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001160274454 1382058358 /nfs/dbraw/zinc/05/83/58/1382058358.db2.gz SMFBSNULEVFCNA-RTBURBONSA-N 2 1 331.504 3.108 20 0 EGADMP c1ccc(C[N@@H+]2CC=C(Nc3cccc4c3[C@H]3C[NH2+]C[C@H]3O4)CC2)cc1 ZINC001160397364 1382093369 /nfs/dbraw/zinc/09/33/69/1382093369.db2.gz XTPPXDGBFHMLEE-GHTZIAJQSA-N 2 1 347.462 3.336 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001160400721 1382093955 /nfs/dbraw/zinc/09/39/55/1382093955.db2.gz WLPOSYCAMQEXCF-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001160400721 1382093959 /nfs/dbraw/zinc/09/39/59/1382093959.db2.gz WLPOSYCAMQEXCF-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001160400721 1382093965 /nfs/dbraw/zinc/09/39/65/1382093965.db2.gz WLPOSYCAMQEXCF-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160500714 1382125671 /nfs/dbraw/zinc/12/56/71/1382125671.db2.gz QZLGAYHEOTUAGB-UYAOXDASSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001160500714 1382125674 /nfs/dbraw/zinc/12/56/74/1382125674.db2.gz QZLGAYHEOTUAGB-UYAOXDASSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001160500714 1382125678 /nfs/dbraw/zinc/12/56/78/1382125678.db2.gz QZLGAYHEOTUAGB-UYAOXDASSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001161020580 1382274367 /nfs/dbraw/zinc/27/43/67/1382274367.db2.gz GAGNIJMSUUTIBF-UHFFFAOYSA-N 2 1 347.503 3.139 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161084507 1382293862 /nfs/dbraw/zinc/29/38/62/1382293862.db2.gz NUXCKFHRFFLJDH-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CC(C)[C@H](C(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1)[NH+](C)C ZINC001161133793 1382313523 /nfs/dbraw/zinc/31/35/23/1382313523.db2.gz QVXUFVVEEIWAQD-GOSISDBHSA-N 2 1 337.552 3.147 20 0 EGADMP Cc1cnc(N[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)c(C[NH3+])c1 ZINC001161180812 1382328967 /nfs/dbraw/zinc/32/89/67/1382328967.db2.gz HOWGNYJYUHINGI-KRWDZBQOSA-N 2 1 330.863 3.189 20 0 EGADMP Cc1nc(N[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)cc(N(C)C)[nH+]1 ZINC001161183238 1382330648 /nfs/dbraw/zinc/33/06/48/1382330648.db2.gz SDVSEVGOEKIVMR-INIZCTEOSA-N 2 1 345.878 3.191 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161219747 1382346380 /nfs/dbraw/zinc/34/63/80/1382346380.db2.gz NUOCFZDKFUKNAL-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001161219747 1382346384 /nfs/dbraw/zinc/34/63/84/1382346384.db2.gz NUOCFZDKFUKNAL-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001161219747 1382346387 /nfs/dbraw/zinc/34/63/87/1382346387.db2.gz NUOCFZDKFUKNAL-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C(=O)N(CC)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001161330357 1382372995 /nfs/dbraw/zinc/37/29/95/1382372995.db2.gz MMHHTVMBIKOTIR-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]CC1CCCCC1 ZINC001161524531 1382430549 /nfs/dbraw/zinc/43/05/49/1382430549.db2.gz KISKRMUHTKXCMQ-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161622316 1382462712 /nfs/dbraw/zinc/46/27/12/1382462712.db2.gz LRQGZMUBRKVEBE-GOSISDBHSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001161643972 1382468232 /nfs/dbraw/zinc/46/82/32/1382468232.db2.gz GEVCJYJDLBDJBD-APWZRJJASA-N 2 1 349.494 3.103 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001161645164 1382468310 /nfs/dbraw/zinc/46/83/10/1382468310.db2.gz ZQUKWIOBELKCPD-QGZVFWFLSA-N 2 1 325.541 3.029 20 0 EGADMP C[NH+](C)CCCCC(=O)NCCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001161733972 1382491590 /nfs/dbraw/zinc/49/15/90/1382491590.db2.gz QEVDJPPBERYKLR-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@H+](CCCC2CCC2)CC1 ZINC001161947002 1382566230 /nfs/dbraw/zinc/56/62/30/1382566230.db2.gz REKWRSUWJLSOLP-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001161947002 1382566234 /nfs/dbraw/zinc/56/62/34/1382566234.db2.gz REKWRSUWJLSOLP-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@@H]([NH2+]CCCNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC001163274711 1383010496 /nfs/dbraw/zinc/01/04/96/1383010496.db2.gz DGJHPSXNDYWSDH-GOSISDBHSA-N 2 1 345.531 3.498 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001163274617 1383010628 /nfs/dbraw/zinc/01/06/28/1383010628.db2.gz ACEDCYHEXCBKFI-SFHVURJKSA-N 2 1 339.568 3.419 20 0 EGADMP C[NH+](C)C1(CNc2ccc(CC(F)(F)F)cc2)CC[NH+](C)CC1 ZINC001164211773 1383166279 /nfs/dbraw/zinc/16/62/79/1383166279.db2.gz STXGVTHUHADGQC-UHFFFAOYSA-N 2 1 329.410 3.229 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001164456581 1383188753 /nfs/dbraw/zinc/18/87/53/1383188753.db2.gz VOEKVCWFKFDJDR-IRXDYDNUSA-N 2 1 349.494 3.105 20 0 EGADMP Nc1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]cc1F ZINC001164486145 1383191754 /nfs/dbraw/zinc/19/17/54/1383191754.db2.gz LCWCRLAYSDDSSF-RLFYNMQTSA-N 2 1 326.419 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001165472095 1383300003 /nfs/dbraw/zinc/30/00/03/1383300003.db2.gz GWXYYTMMILOWCU-IBGZPJMESA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001165728374 1383333999 /nfs/dbraw/zinc/33/39/99/1383333999.db2.gz QJJGJALIYQUEHA-ZWKOTPCHSA-N 2 1 349.563 3.316 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165737247 1383335607 /nfs/dbraw/zinc/33/56/07/1383335607.db2.gz QTHVSQSTCHLADW-MOPGFXCFSA-N 2 1 349.563 3.460 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001165809806 1383348413 /nfs/dbraw/zinc/34/84/13/1383348413.db2.gz ONYRZHBLUQCMMZ-UHFFFAOYSA-N 2 1 325.541 3.173 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001165926891 1383366140 /nfs/dbraw/zinc/36/61/40/1383366140.db2.gz IQVFMQMZYNTKIJ-IBGZPJMESA-N 2 1 349.563 3.173 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NCCC[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001166764458 1383473841 /nfs/dbraw/zinc/47/38/41/1383473841.db2.gz FEXPXOYINVZGQG-UHFFFAOYSA-N 2 1 337.552 3.031 20 0 EGADMP O=C(NCCC1(C[NH2+]CC2CC2)CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001166802879 1383479669 /nfs/dbraw/zinc/47/96/69/1383479669.db2.gz NLFBJCPHECXGIU-LJQANCHMSA-N 2 1 347.547 3.070 20 0 EGADMP Cc1[nH+]ccn1-c1cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)ncn1 ZINC001166890101 1383494509 /nfs/dbraw/zinc/49/45/09/1383494509.db2.gz XKMIANLFISNBAX-SFHVURJKSA-N 2 1 348.454 3.220 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC1(C[NH2+]CC2CCC2)CC1 ZINC001167376735 1383615140 /nfs/dbraw/zinc/61/51/40/1383615140.db2.gz FRWKBHVLGNCIQX-UHFFFAOYSA-N 2 1 346.519 3.073 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001167426282 1383631283 /nfs/dbraw/zinc/63/12/83/1383631283.db2.gz QJZHUKSBYATAKN-INIZCTEOSA-N 2 1 346.519 3.045 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC001167636587 1383694874 /nfs/dbraw/zinc/69/48/74/1383694874.db2.gz VSVTXPLCCJHCGO-QFBILLFUSA-N 2 1 349.494 3.246 20 0 EGADMP Cc1cc2[nH+]ccn2cc1NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001167643255 1383696709 /nfs/dbraw/zinc/69/67/09/1383696709.db2.gz UYCRUALUEXXVJD-UHFFFAOYSA-N 2 1 344.459 3.036 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCCC2(C[NH2+]CC3CCCCCC3)CC2)C1 ZINC001167737425 1383726055 /nfs/dbraw/zinc/72/60/55/1383726055.db2.gz SSDKWAIXRVDVTL-LJQANCHMSA-N 2 1 349.563 3.175 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ncncc2C)C1 ZINC001167833892 1383752837 /nfs/dbraw/zinc/75/28/37/1383752837.db2.gz FLLFQAHLWJTNRK-QZTJIDSGSA-N 2 1 334.508 3.139 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)N(c1cccc(C)[nH+]1)C1CC[NH2+]CC1 ZINC001167835678 1383754237 /nfs/dbraw/zinc/75/42/37/1383754237.db2.gz SJVNBJWEVBBELT-SFHVURJKSA-N 3 1 332.536 3.459 20 0 EGADMP COC(=O)c1cccc(C[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001167919295 1383769904 /nfs/dbraw/zinc/76/99/04/1383769904.db2.gz XPOZYNJPGPDAJG-YCKXBTPASA-N 2 1 342.483 3.344 20 0 EGADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001167975225 1383783936 /nfs/dbraw/zinc/78/39/36/1383783936.db2.gz MQKKALPMZISHGF-GAUHOVIDSA-N 2 1 331.548 3.388 20 0 EGADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001167975225 1383783939 /nfs/dbraw/zinc/78/39/39/1383783939.db2.gz MQKKALPMZISHGF-GAUHOVIDSA-N 2 1 331.548 3.388 20 0 EGADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001167975225 1383783941 /nfs/dbraw/zinc/78/39/41/1383783941.db2.gz MQKKALPMZISHGF-GAUHOVIDSA-N 2 1 331.548 3.388 20 0 EGADMP COc1ccc(C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)nc1 ZINC001167977842 1383784953 /nfs/dbraw/zinc/78/49/53/1383784953.db2.gz GGGTZHIDHUGZQE-AYHJJNSGSA-N 2 1 343.515 3.363 20 0 EGADMP CC(C)[C@@H]1[NH2+]CCc2ncn(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)c21 ZINC001168004647 1383793997 /nfs/dbraw/zinc/79/39/97/1383793997.db2.gz WUFBBYXTXALCSU-RZRMAFQFSA-N 2 1 328.504 3.304 20 0 EGADMP CC(C)[C@H]1[NH2+]CCc2ncn(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)c21 ZINC001168004651 1383794389 /nfs/dbraw/zinc/79/43/89/1383794389.db2.gz WUFBBYXTXALCSU-SUTQANCOSA-N 2 1 328.504 3.304 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168030078 1383800460 /nfs/dbraw/zinc/80/04/60/1383800460.db2.gz MOUIJPCYJNNEPU-VQTJNVASSA-N 2 1 349.563 3.460 20 0 EGADMP C[C@@H]1C[C@@H](NCc2cnn(CCF)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033457 1383801192 /nfs/dbraw/zinc/80/11/92/1383801192.db2.gz KVWXGUJROPWREP-XEMDLRDOSA-N 2 1 344.478 3.384 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(CCF)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033457 1383801197 /nfs/dbraw/zinc/80/11/97/1383801197.db2.gz KVWXGUJROPWREP-XEMDLRDOSA-N 2 1 344.478 3.384 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H](O)[C@@H](F)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039536 1383801969 /nfs/dbraw/zinc/80/19/69/1383801969.db2.gz GIEUYSONRSOPOG-DLRXZHIHSA-N 2 1 334.479 3.223 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](O)[C@@H](F)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039536 1383801974 /nfs/dbraw/zinc/80/19/74/1383801974.db2.gz GIEUYSONRSOPOG-DLRXZHIHSA-N 2 1 334.479 3.223 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](O)[C@@H](F)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039536 1383801977 /nfs/dbraw/zinc/80/19/77/1383801977.db2.gz GIEUYSONRSOPOG-DLRXZHIHSA-N 2 1 334.479 3.223 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039486 1383802231 /nfs/dbraw/zinc/80/22/31/1383802231.db2.gz FQKPOYAOKJNQEM-PIKOESSRSA-N 2 1 344.499 3.313 20 0 EGADMP COC(=O)[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039486 1383802233 /nfs/dbraw/zinc/80/22/33/1383802233.db2.gz FQKPOYAOKJNQEM-PIKOESSRSA-N 2 1 344.499 3.313 20 0 EGADMP COC(=O)[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039486 1383802236 /nfs/dbraw/zinc/80/22/36/1383802236.db2.gz FQKPOYAOKJNQEM-PIKOESSRSA-N 2 1 344.499 3.313 20 0 EGADMP C[C@H]1CC(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064218 1383808408 /nfs/dbraw/zinc/80/84/08/1383808408.db2.gz OYZWTCHJWFLZEE-QGZVKYPTSA-N 2 1 327.516 3.206 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3CCN(C)[C@@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065508 1383808465 /nfs/dbraw/zinc/80/84/65/1383808465.db2.gz XBIHDERHJMHLTD-YZUZWNONSA-N 2 1 327.516 3.064 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065508 1383808471 /nfs/dbraw/zinc/80/84/71/1383808471.db2.gz XBIHDERHJMHLTD-YZUZWNONSA-N 2 1 327.516 3.064 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CCN(C)[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065508 1383808476 /nfs/dbraw/zinc/80/84/76/1383808476.db2.gz XBIHDERHJMHLTD-YZUZWNONSA-N 2 1 327.516 3.064 20 0 EGADMP COC(=O)[C@H]1C[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C ZINC001168068047 1383809170 /nfs/dbraw/zinc/80/91/70/1383809170.db2.gz XDKIPFJMQZDXIR-BOSXTWCSSA-N 2 1 344.499 3.169 20 0 EGADMP FC1(CNc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)CCOCC1 ZINC001168124039 1383822894 /nfs/dbraw/zinc/82/28/94/1383822894.db2.gz NOVLEDSOJLLRRT-MRXNPFEDSA-N 2 1 346.450 3.282 20 0 EGADMP C[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001168329523 1383873956 /nfs/dbraw/zinc/87/39/56/1383873956.db2.gz WMZNUOJTKSBQML-VXLLPVPCSA-N 2 1 339.524 3.094 20 0 EGADMP [NH3+]C[C@@]1([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)CN2CCC1CC2 ZINC001168335160 1383875770 /nfs/dbraw/zinc/87/57/70/1383875770.db2.gz HAMVFNCNKZBAEY-RRWXTXHCSA-N 2 1 347.934 3.379 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC001168335474 1383876069 /nfs/dbraw/zinc/87/60/69/1383876069.db2.gz KDVWFLQMQGHGOM-KRWDZBQOSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)CC[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168346425 1383880559 /nfs/dbraw/zinc/88/05/59/1383880559.db2.gz YWQSZKAODWDQSY-LJQANCHMSA-N 2 1 345.531 3.212 20 0 EGADMP COc1ccc([C@@H]2C[C@H]([N@H+](CC[NH3+])Cc3ccccc3)CCO2)cc1 ZINC001168585767 1383942584 /nfs/dbraw/zinc/94/25/84/1383942584.db2.gz RIHDGOYKKIRLIP-CTNGQTDRSA-N 2 1 340.467 3.376 20 0 EGADMP COc1ccc([C@@H]2C[C@H]([N@@H+](CC[NH3+])Cc3ccccc3)CCO2)cc1 ZINC001168585767 1383942588 /nfs/dbraw/zinc/94/25/88/1383942588.db2.gz RIHDGOYKKIRLIP-CTNGQTDRSA-N 2 1 340.467 3.376 20 0 EGADMP COc1ccc([C@H]2C[C@H]([NH+]3CCC([NH+]4CCC4)CC3)CCO2)cc1 ZINC001168679308 1383968079 /nfs/dbraw/zinc/96/80/79/1383968079.db2.gz YUJYKGOGONJKBB-UYAOXDASSA-N 2 1 330.472 3.085 20 0 EGADMP COc1cc2[nH+]c(NCC(C)(C)C[NH+](C)C)ccc2c(OC)c1OC ZINC001168766131 1383996174 /nfs/dbraw/zinc/99/61/74/1383996174.db2.gz CDTSHWRHCUFWLW-UHFFFAOYSA-N 2 1 347.459 3.260 20 0 EGADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168806268 1384013485 /nfs/dbraw/zinc/01/34/85/1384013485.db2.gz KTIOMMOYOULHJH-CVEARBPZSA-N 2 1 327.513 3.096 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001169107606 1384107822 /nfs/dbraw/zinc/10/78/22/1384107822.db2.gz IGCUCRDVHKXZSS-HWWIXODDSA-N 2 1 339.527 3.397 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001169107606 1384107824 /nfs/dbraw/zinc/10/78/24/1384107824.db2.gz IGCUCRDVHKXZSS-HWWIXODDSA-N 2 1 339.527 3.397 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001169107606 1384107826 /nfs/dbraw/zinc/10/78/26/1384107826.db2.gz IGCUCRDVHKXZSS-HWWIXODDSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169122929 1384110674 /nfs/dbraw/zinc/11/06/74/1384110674.db2.gz GGOWZQSDIQEKJP-RQXATKFSSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169122929 1384110676 /nfs/dbraw/zinc/11/06/76/1384110676.db2.gz GGOWZQSDIQEKJP-RQXATKFSSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169122929 1384110678 /nfs/dbraw/zinc/11/06/78/1384110678.db2.gz GGOWZQSDIQEKJP-RQXATKFSSA-N 2 1 327.516 3.112 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]31)C2 ZINC001169131587 1384110785 /nfs/dbraw/zinc/11/07/85/1384110785.db2.gz WDHUWPMZBDRAMW-BDHVOXNPSA-N 2 1 339.527 3.208 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC001169131587 1384110787 /nfs/dbraw/zinc/11/07/87/1384110787.db2.gz WDHUWPMZBDRAMW-BDHVOXNPSA-N 2 1 339.527 3.208 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC001169131587 1384110789 /nfs/dbraw/zinc/11/07/89/1384110789.db2.gz WDHUWPMZBDRAMW-BDHVOXNPSA-N 2 1 339.527 3.208 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169126556 1384111286 /nfs/dbraw/zinc/11/12/86/1384111286.db2.gz WIWOLRADRQNVRL-AXVVYFOYSA-N 2 1 349.519 3.087 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169126556 1384111288 /nfs/dbraw/zinc/11/12/88/1384111288.db2.gz WIWOLRADRQNVRL-AXVVYFOYSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169126556 1384111290 /nfs/dbraw/zinc/11/12/90/1384111290.db2.gz WIWOLRADRQNVRL-AXVVYFOYSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169126556 1384111293 /nfs/dbraw/zinc/11/12/93/1384111293.db2.gz WIWOLRADRQNVRL-AXVVYFOYSA-N 2 1 349.519 3.087 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CC[NH+](Cc4ccoc4)C3)CC1)C2 ZINC001169141982 1384113001 /nfs/dbraw/zinc/11/30/01/1384113001.db2.gz YTOOFLMMBQHNKM-ACDBMABISA-N 3 1 343.515 3.193 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CC[N@H+](Cc4ccoc4)C3)CC1)C2 ZINC001169141982 1384113002 /nfs/dbraw/zinc/11/30/02/1384113002.db2.gz YTOOFLMMBQHNKM-ACDBMABISA-N 2 1 343.515 3.193 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CC[N@@H+](Cc4ccoc4)C3)CC1)C2 ZINC001169141982 1384113003 /nfs/dbraw/zinc/11/30/03/1384113003.db2.gz YTOOFLMMBQHNKM-ACDBMABISA-N 2 1 343.515 3.193 20 0 EGADMP COc1ccccc1O[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169141266 1384113028 /nfs/dbraw/zinc/11/30/28/1384113028.db2.gz PHGFWMXEQPTZBO-MHORFTMASA-N 2 1 330.472 3.164 20 0 EGADMP COc1ccccc1O[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169141266 1384113029 /nfs/dbraw/zinc/11/30/29/1384113029.db2.gz PHGFWMXEQPTZBO-MHORFTMASA-N 2 1 330.472 3.164 20 0 EGADMP COc1ccccc1O[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169141266 1384113030 /nfs/dbraw/zinc/11/30/30/1384113030.db2.gz PHGFWMXEQPTZBO-MHORFTMASA-N 2 1 330.472 3.164 20 0 EGADMP Cn1c2ccccc2nc1C1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169146018 1384114514 /nfs/dbraw/zinc/11/45/14/1384114514.db2.gz OFFSPYZPRBDZCD-BCDXTJNWSA-N 2 1 338.499 3.378 20 0 EGADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169152970 1384115570 /nfs/dbraw/zinc/11/55/70/1384115570.db2.gz GVKWWRSRPLWDBG-AERCQKQUSA-N 2 1 345.506 3.347 20 0 EGADMP C[NH+](Cc1ccc(F)cc1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169152970 1384115572 /nfs/dbraw/zinc/11/55/72/1384115572.db2.gz GVKWWRSRPLWDBG-AERCQKQUSA-N 2 1 345.506 3.347 20 0 EGADMP C[NH+](Cc1ccc(F)cc1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169152970 1384115573 /nfs/dbraw/zinc/11/55/73/1384115573.db2.gz GVKWWRSRPLWDBG-AERCQKQUSA-N 2 1 345.506 3.347 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(Oc3cccc(Cl)n3)CC1)C2 ZINC001169155943 1384116638 /nfs/dbraw/zinc/11/66/38/1384116638.db2.gz WFRBIZXKKAQHER-FICVDOATSA-N 2 1 335.879 3.203 20 0 EGADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001169163036 1384117652 /nfs/dbraw/zinc/11/76/52/1384117652.db2.gz XCTRTJWDDAIDJX-YDZRNGNQSA-N 2 1 328.456 3.235 20 0 EGADMP COC(=O)c1ccc([C@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169163036 1384117654 /nfs/dbraw/zinc/11/76/54/1384117654.db2.gz XCTRTJWDDAIDJX-YDZRNGNQSA-N 2 1 328.456 3.235 20 0 EGADMP COC(=O)c1ccc([C@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169163036 1384117656 /nfs/dbraw/zinc/11/76/56/1384117656.db2.gz XCTRTJWDDAIDJX-YDZRNGNQSA-N 2 1 328.456 3.235 20 0 EGADMP C[NH+](C)CCOc1cc(C[NH2+]Cc2cccc(Cl)c2F)ccn1 ZINC001308355589 1384121264 /nfs/dbraw/zinc/12/12/64/1384121264.db2.gz YMSRTSGQDIZFRN-UHFFFAOYSA-N 2 1 337.826 3.104 20 0 EGADMP Cc1ccc2ncc(C[NH2+][C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)n2c1 ZINC001308368619 1384122323 /nfs/dbraw/zinc/12/23/23/1384122323.db2.gz YRACMMCQHOAQGJ-IRXDYDNUSA-N 2 1 326.488 3.385 20 0 EGADMP CC[NH+]1CCC([NH2+][C@]2(C)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001169219711 1384124065 /nfs/dbraw/zinc/12/40/65/1384124065.db2.gz IDXLHNQLYJLNFE-LJQANCHMSA-N 2 1 339.524 3.240 20 0 EGADMP O[C@@H]1CCC[C@H](Nc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)C1 ZINC001169251954 1384127400 /nfs/dbraw/zinc/12/74/00/1384127400.db2.gz ZKKPCXUDKMEWGJ-USXIJHARSA-N 2 1 328.460 3.066 20 0 EGADMP CC[NH+]1CCC([N@@H+]2CCC[C@@](C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC001169264872 1384129329 /nfs/dbraw/zinc/12/93/29/1384129329.db2.gz RQHDHTBPGQHMAE-IBGZPJMESA-N 2 1 339.524 3.098 20 0 EGADMP CC[NH+]1CCC([N@H+]2CCC[C@@](C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC001169264872 1384129330 /nfs/dbraw/zinc/12/93/30/1384129330.db2.gz RQHDHTBPGQHMAE-IBGZPJMESA-N 2 1 339.524 3.098 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001169490654 1384154168 /nfs/dbraw/zinc/15/41/68/1384154168.db2.gz UJLQTPQDIIAVRP-QGZVFWFLSA-N 2 1 337.552 3.362 20 0 EGADMP CCOC(=O)C1(C)CC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC001308897323 1384157474 /nfs/dbraw/zinc/15/74/74/1384157474.db2.gz JJHSZCBHEAEVJI-BGNPPQISSA-N 2 1 344.499 3.076 20 0 EGADMP Cc1[nH+]ccn1-c1cc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)ncn1 ZINC001169683613 1384173518 /nfs/dbraw/zinc/17/35/18/1384173518.db2.gz BCCZBPONJLOCJV-INIZCTEOSA-N 2 1 334.427 3.211 20 0 EGADMP C[C@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169810594 1384188056 /nfs/dbraw/zinc/18/80/56/1384188056.db2.gz RGGZCCQOEDKTNB-MJGOQNOKSA-N 2 1 337.552 3.316 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)CC[N@@H+](C)CC)c1ccc(Cl)cc1 ZINC001170222990 1384268809 /nfs/dbraw/zinc/26/88/09/1384268809.db2.gz PZWAPNYMEGWYBV-KRWDZBQOSA-N 2 1 339.911 3.229 20 0 EGADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2c[nH+]c4c(c2)CCCN4)C3)cc1 ZINC001170337730 1384295396 /nfs/dbraw/zinc/29/53/96/1384295396.db2.gz VTIJNLFJGAEAOR-ZKTXZKFHSA-N 2 1 348.494 3.335 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2c[nH+]c4c(c2)CCCN4)C3)cc1 ZINC001170337730 1384295399 /nfs/dbraw/zinc/29/53/99/1384295399.db2.gz VTIJNLFJGAEAOR-ZKTXZKFHSA-N 2 1 348.494 3.335 20 0 EGADMP Cc1cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c[nH+]c1N1CCOCC1 ZINC001170450987 1384322314 /nfs/dbraw/zinc/32/23/14/1384322314.db2.gz GZCIGVUHCKSRKL-UHFFFAOYSA-N 2 1 346.519 3.290 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1 ZINC001170752047 1384378678 /nfs/dbraw/zinc/37/86/78/1384378678.db2.gz WTIYSRXNSIJBHV-MJGOQNOKSA-N 2 1 337.552 3.314 20 0 EGADMP CCCCCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001170784025 1384384273 /nfs/dbraw/zinc/38/42/73/1384384273.db2.gz CJHOXCARPIWICI-SFHVURJKSA-N 2 1 325.541 3.317 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCCC1CCC1 ZINC001170785966 1384385460 /nfs/dbraw/zinc/38/54/60/1384385460.db2.gz XPJIXYSKJBZRDO-IBGZPJMESA-N 2 1 337.552 3.317 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH2+]CC1=CCCCC1)c1ccccc1 ZINC001170867074 1384401565 /nfs/dbraw/zinc/40/15/65/1384401565.db2.gz BTORIHLOYRWKOE-HXUWFJFHSA-N 2 1 343.515 3.276 20 0 EGADMP CC/C=C\CC[NH2+]CCCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001170868167 1384401628 /nfs/dbraw/zinc/40/16/28/1384401628.db2.gz PWIXMZVPCZXYNM-RURPWVQCSA-N 2 1 331.504 3.132 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170910675 1384409745 /nfs/dbraw/zinc/40/97/45/1384409745.db2.gz MPESMCULUWJPMO-JYJNAYRXSA-N 2 1 334.891 3.168 20 0 EGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001171236576 1384476648 /nfs/dbraw/zinc/47/66/48/1384476648.db2.gz NRVNVUSDARWSJW-QZTJIDSGSA-N 2 1 325.541 3.029 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171248913 1384478339 /nfs/dbraw/zinc/47/83/39/1384478339.db2.gz YKYIXMBHUQPNDO-MSOLQXFVSA-N 2 1 348.535 3.461 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)cc1 ZINC001171586469 1384572578 /nfs/dbraw/zinc/57/25/78/1384572578.db2.gz OKJSFONKTJHMRV-GOSISDBHSA-N 2 1 347.547 3.490 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CCCCCF ZINC001171587129 1384572911 /nfs/dbraw/zinc/57/29/11/1384572911.db2.gz YAIDUMSGWIZISI-INIZCTEOSA-N 2 1 331.520 3.121 20 0 EGADMP C[C@H]1C[C@@H](NC(=[NH2+])c2ccc(Cl)nc2)C[N@@H+]1Cc1ccccc1 ZINC001171724783 1384613938 /nfs/dbraw/zinc/61/39/38/1384613938.db2.gz ARVFHMQFOWOFMQ-XJKSGUPXSA-N 2 1 328.847 3.313 20 0 EGADMP C[C@H]1C[C@@H](NC(=[NH2+])c2ccc(Cl)nc2)C[N@H+]1Cc1ccccc1 ZINC001171724783 1384613941 /nfs/dbraw/zinc/61/39/41/1384613941.db2.gz ARVFHMQFOWOFMQ-XJKSGUPXSA-N 2 1 328.847 3.313 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001171731286 1384617341 /nfs/dbraw/zinc/61/73/41/1384617341.db2.gz ARYHPQOYKUUEHF-HNNXBMFYSA-N 2 1 339.911 3.229 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](CC(C)(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC001171741898 1384622089 /nfs/dbraw/zinc/62/20/89/1384622089.db2.gz WWSTVGXQTSPMKD-YZGWKJHDSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](CC(C)(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC001171741898 1384622094 /nfs/dbraw/zinc/62/20/94/1384622094.db2.gz WWSTVGXQTSPMKD-YZGWKJHDSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](CC(C)(C)C)C2)C[NH+]1Cc1ccccc1 ZINC001171741898 1384622100 /nfs/dbraw/zinc/62/21/00/1384622100.db2.gz WWSTVGXQTSPMKD-YZGWKJHDSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](CC(C)(C)C)C2)C[NH+]1Cc1ccccc1 ZINC001171741898 1384622110 /nfs/dbraw/zinc/62/21/10/1384622110.db2.gz WWSTVGXQTSPMKD-YZGWKJHDSA-N 2 1 329.532 3.359 20 0 EGADMP CCCCC[NH+]1CCN([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171761332 1384627373 /nfs/dbraw/zinc/62/73/73/1384627373.db2.gz CZAOOPFZELUQDT-PZJWPPBQSA-N 2 1 329.532 3.457 20 0 EGADMP [NH3+]C1(c2ccccc2F)CC[NH+]([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171786227 1384636445 /nfs/dbraw/zinc/63/64/45/1384636445.db2.gz YXEIKUFDAFLTPD-OAHLLOKOSA-N 2 1 328.406 3.382 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCCC[NH2+]CCCC1CCCC1 ZINC001171816131 1384649008 /nfs/dbraw/zinc/64/90/08/1384649008.db2.gz CULMQCCDWQKUMR-KRWDZBQOSA-N 2 1 348.535 3.427 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C2 ZINC001171915977 1384680802 /nfs/dbraw/zinc/68/08/02/1384680802.db2.gz NOGAKQOOSNODBI-NJZDOBRDSA-N 2 1 336.520 3.492 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C2 ZINC001171915977 1384680810 /nfs/dbraw/zinc/68/08/10/1384680810.db2.gz NOGAKQOOSNODBI-NJZDOBRDSA-N 2 1 336.520 3.492 20 0 EGADMP CC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171961647 1384696339 /nfs/dbraw/zinc/69/63/39/1384696339.db2.gz ACWZFWWQUCZCQP-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)nc1 ZINC001171963800 1384697026 /nfs/dbraw/zinc/69/70/26/1384697026.db2.gz JJDSJOHSUHFYFR-LJQANCHMSA-N 2 1 338.499 3.360 20 0 EGADMP CC1(C)OC[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)O1 ZINC001171981755 1384702927 /nfs/dbraw/zinc/70/29/27/1384702927.db2.gz CZSLJLOQHDNPTL-QZTJIDSGSA-N 2 1 332.488 3.171 20 0 EGADMP COC(=O)[C@@]1(C)CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171989900 1384707699 /nfs/dbraw/zinc/70/76/99/1384707699.db2.gz ITWIEILVLMHKQI-RXVVDRJESA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@@]1(C)CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171989900 1384707704 /nfs/dbraw/zinc/70/77/04/1384707704.db2.gz ITWIEILVLMHKQI-RXVVDRJESA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@@]1(C)CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171989900 1384707709 /nfs/dbraw/zinc/70/77/09/1384707709.db2.gz ITWIEILVLMHKQI-RXVVDRJESA-N 2 1 344.499 3.315 20 0 EGADMP CC[N@H+]1CCN([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@H]1C ZINC001171990752 1384707933 /nfs/dbraw/zinc/70/79/33/1384707933.db2.gz NZGQNLDXYSNCBG-QUCCMNQESA-N 2 1 329.532 3.456 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@H]1C ZINC001171990752 1384707938 /nfs/dbraw/zinc/70/79/38/1384707938.db2.gz NZGQNLDXYSNCBG-QUCCMNQESA-N 2 1 329.532 3.456 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@H]1C ZINC001171990752 1384707940 /nfs/dbraw/zinc/70/79/40/1384707940.db2.gz NZGQNLDXYSNCBG-QUCCMNQESA-N 2 1 329.532 3.456 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+][C@H]2CN4CCC2CC4)C3)cc1 ZINC001172060493 1384713893 /nfs/dbraw/zinc/71/38/93/1384713893.db2.gz ASNCAELJHBUSSU-KJJMTIBFSA-N 2 1 339.527 3.256 20 0 EGADMP CN1CCC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172061591 1384714688 /nfs/dbraw/zinc/71/46/88/1384714688.db2.gz HQBBWLOAWFJWQN-MXEMCNAFSA-N 2 1 327.516 3.256 20 0 EGADMP C[N@@H+]1CCC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061591 1384714692 /nfs/dbraw/zinc/71/46/92/1384714692.db2.gz HQBBWLOAWFJWQN-MXEMCNAFSA-N 2 1 327.516 3.256 20 0 EGADMP C[N@H+]1CCC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061591 1384714695 /nfs/dbraw/zinc/71/46/95/1384714695.db2.gz HQBBWLOAWFJWQN-MXEMCNAFSA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+]1CCC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172061591 1384714698 /nfs/dbraw/zinc/71/46/98/1384714698.db2.gz HQBBWLOAWFJWQN-MXEMCNAFSA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+]1CCC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172061591 1384714702 /nfs/dbraw/zinc/71/47/02/1384714702.db2.gz HQBBWLOAWFJWQN-MXEMCNAFSA-N 2 1 327.516 3.256 20 0 EGADMP O=c1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH]1 ZINC001172066582 1384716790 /nfs/dbraw/zinc/71/67/90/1384716790.db2.gz ZZAGWHZOMGSBSQ-ACDBMABISA-N 2 1 337.467 3.463 20 0 EGADMP CC[C@H](C)[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(N)=O ZINC001172071974 1384718306 /nfs/dbraw/zinc/71/83/06/1384718306.db2.gz JWEMVAFVNZKJNQ-XCZFOBESSA-N 2 1 343.515 3.062 20 0 EGADMP O[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172069137 1384718849 /nfs/dbraw/zinc/71/88/49/1384718849.db2.gz GSFJRJIDWAGHSP-WARAAXDBSA-N 2 1 328.500 3.465 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C2 ZINC001172111462 1384729621 /nfs/dbraw/zinc/72/96/21/1384729621.db2.gz RMUAEYREVJFQMS-VIQHNZTISA-N 2 1 337.508 3.037 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C2 ZINC001172111462 1384729629 /nfs/dbraw/zinc/72/96/29/1384729629.db2.gz RMUAEYREVJFQMS-VIQHNZTISA-N 2 1 337.508 3.037 20 0 EGADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CCC2 ZINC001172112192 1384729891 /nfs/dbraw/zinc/72/98/91/1384729891.db2.gz UBKKZSAYNZBXJN-AJYBTWMASA-N 2 1 342.483 3.456 20 0 EGADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001172112192 1384729896 /nfs/dbraw/zinc/72/98/96/1384729896.db2.gz UBKKZSAYNZBXJN-AJYBTWMASA-N 2 1 342.483 3.456 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H](N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001172113698 1384731286 /nfs/dbraw/zinc/73/12/86/1384731286.db2.gz JBAGHDCQAHPABF-XSDIEEQYSA-N 2 1 327.516 3.174 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172113698 1384731288 /nfs/dbraw/zinc/73/12/88/1384731288.db2.gz JBAGHDCQAHPABF-XSDIEEQYSA-N 2 1 327.516 3.174 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)cc1 ZINC001172113698 1384731290 /nfs/dbraw/zinc/73/12/90/1384731290.db2.gz JBAGHDCQAHPABF-XSDIEEQYSA-N 2 1 327.516 3.174 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1N3C(=O)OC(C)(C)C)C2 ZINC001172117779 1384732830 /nfs/dbraw/zinc/73/28/30/1384732830.db2.gz NCLXLGBGVIIHOD-YPLQCARHSA-N 2 1 349.519 3.132 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1N3C(=O)OC(C)(C)C)C2 ZINC001172117779 1384732834 /nfs/dbraw/zinc/73/28/34/1384732834.db2.gz NCLXLGBGVIIHOD-YPLQCARHSA-N 2 1 349.519 3.132 20 0 EGADMP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[NH+]3[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)o1 ZINC001172119407 1384733166 /nfs/dbraw/zinc/73/31/66/1384733166.db2.gz VBDHNDHCTICJPB-WRJHFWDFSA-N 2 1 343.515 3.252 20 0 EGADMP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)o1 ZINC001172119407 1384733168 /nfs/dbraw/zinc/73/31/68/1384733168.db2.gz VBDHNDHCTICJPB-WRJHFWDFSA-N 2 1 343.515 3.252 20 0 EGADMP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)o1 ZINC001172119407 1384733173 /nfs/dbraw/zinc/73/31/73/1384733173.db2.gz VBDHNDHCTICJPB-WRJHFWDFSA-N 2 1 343.515 3.252 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC001172127108 1384736159 /nfs/dbraw/zinc/73/61/59/1384736159.db2.gz GXQSPBNAIFUHPK-AANPDWTMSA-N 2 1 339.527 3.208 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC001172127108 1384736162 /nfs/dbraw/zinc/73/61/62/1384736162.db2.gz GXQSPBNAIFUHPK-AANPDWTMSA-N 2 1 339.527 3.208 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC001172127108 1384736168 /nfs/dbraw/zinc/73/61/68/1384736168.db2.gz GXQSPBNAIFUHPK-AANPDWTMSA-N 2 1 339.527 3.208 20 0 EGADMP CC(C)c1noc([C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172129324 1384737568 /nfs/dbraw/zinc/73/75/68/1384737568.db2.gz YGTRIHZCAQKTDB-WCXIOVBPSA-N 2 1 332.492 3.388 20 0 EGADMP CC(C)c1noc([C@@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001172129324 1384737570 /nfs/dbraw/zinc/73/75/70/1384737570.db2.gz YGTRIHZCAQKTDB-WCXIOVBPSA-N 2 1 332.492 3.388 20 0 EGADMP CC(C)c1noc([C@@H]2CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172129324 1384737577 /nfs/dbraw/zinc/73/75/77/1384737577.db2.gz YGTRIHZCAQKTDB-WCXIOVBPSA-N 2 1 332.492 3.388 20 0 EGADMP CC1(C)CCC(C[N@H+]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001316994492 1384751129 /nfs/dbraw/zinc/75/11/29/1384751129.db2.gz JGONYQJIDANXJF-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001172246567 1384755142 /nfs/dbraw/zinc/75/51/42/1384755142.db2.gz NUHOEXKUXFRGHQ-UHFFFAOYSA-N 2 1 339.483 3.339 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001172356099 1384776543 /nfs/dbraw/zinc/77/65/43/1384776543.db2.gz XMISKCIOSABONZ-AOIWGVFYSA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001172356099 1384776544 /nfs/dbraw/zinc/77/65/44/1384776544.db2.gz XMISKCIOSABONZ-AOIWGVFYSA-N 2 1 326.525 3.155 20 0 EGADMP CC[C@H](C)OCC[C@@H](C)N(c1cc(C)[nH+]c(C)n1)C1CC[NH2+]CC1 ZINC001172362677 1384777510 /nfs/dbraw/zinc/77/75/10/1384777510.db2.gz VZYJVBDURQZOEM-CVEARBPZSA-N 2 1 334.508 3.246 20 0 EGADMP CC(C)OCC[C@H](C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172446998 1384792985 /nfs/dbraw/zinc/79/29/85/1384792985.db2.gz ORFIQYCTABADNC-DLBZAZTESA-N 2 1 326.525 3.202 20 0 EGADMP CC(C)COCC[C@@H](C)[NH2+]C1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001172459274 1384796996 /nfs/dbraw/zinc/79/69/96/1384796996.db2.gz HCHUNGZGPZQXRA-MDCZIUGASA-N 2 1 342.524 3.009 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC001172615721 1384819830 /nfs/dbraw/zinc/81/98/30/1384819830.db2.gz HLBZXJJVJHHPLJ-QUCCMNQESA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC001172615721 1384819836 /nfs/dbraw/zinc/81/98/36/1384819836.db2.gz HLBZXJJVJHHPLJ-QUCCMNQESA-N 2 1 344.499 3.315 20 0 EGADMP CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172629847 1384822698 /nfs/dbraw/zinc/82/26/98/1384822698.db2.gz AJBLRKAWPADOES-ZACQAIPSSA-N 2 1 339.524 3.368 20 0 EGADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172629847 1384822700 /nfs/dbraw/zinc/82/27/00/1384822700.db2.gz AJBLRKAWPADOES-ZACQAIPSSA-N 2 1 339.524 3.368 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172818521 1384858183 /nfs/dbraw/zinc/85/81/83/1384858183.db2.gz QXZVPLOJIFXMMN-JWTNVVGKSA-N 2 1 349.519 3.111 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC001335838811 1388948810 /nfs/dbraw/zinc/94/88/10/1388948810.db2.gz GDQAQZJYXMNMIL-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CO[C@H]1CCC[C@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC001172941132 1384884797 /nfs/dbraw/zinc/88/47/97/1384884797.db2.gz DDVSDNZXTRVYJC-SFTDATJTSA-N 2 1 328.500 3.467 20 0 EGADMP CO[C@H]1CCC[C@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC001172941132 1384884801 /nfs/dbraw/zinc/88/48/01/1384884801.db2.gz DDVSDNZXTRVYJC-SFTDATJTSA-N 2 1 328.500 3.467 20 0 EGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C)C1 ZINC001172957158 1384889814 /nfs/dbraw/zinc/88/98/14/1384889814.db2.gz FIZLBNUJQUBGBW-CVEARBPZSA-N 2 1 341.540 3.484 20 0 EGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C)C1 ZINC001172957158 1384889817 /nfs/dbraw/zinc/88/98/17/1384889817.db2.gz FIZLBNUJQUBGBW-CVEARBPZSA-N 2 1 341.540 3.484 20 0 EGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC001173086245 1384910801 /nfs/dbraw/zinc/91/08/01/1384910801.db2.gz SOIBHCQTEBBPDJ-CWRNSKLLSA-N 2 1 342.405 3.400 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC001173086245 1384910804 /nfs/dbraw/zinc/91/08/04/1384910804.db2.gz SOIBHCQTEBBPDJ-CWRNSKLLSA-N 2 1 342.405 3.400 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC001173086245 1384910807 /nfs/dbraw/zinc/91/08/07/1384910807.db2.gz SOIBHCQTEBBPDJ-CWRNSKLLSA-N 2 1 342.405 3.400 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCc3cc(C(=O)OC)ccc3C2)CC1 ZINC001173110801 1384916696 /nfs/dbraw/zinc/91/66/96/1384916696.db2.gz YGMZISPCBHAADF-UHFFFAOYSA-N 2 1 344.499 3.484 20 0 EGADMP [NH3+]C1(c2ccc(F)cc2)CC[NH+]([C@H]2CCc3ncsc3C2)CC1 ZINC001173123932 1384919038 /nfs/dbraw/zinc/91/90/38/1384919038.db2.gz BEASPWDMFOBDNQ-HNNXBMFYSA-N 2 1 331.460 3.090 20 0 EGADMP COc1cccc2c1C[C@H]([N@H+](Cc1ccccc1)C[C@H](C)C[NH3+])CO2 ZINC001173165042 1384928264 /nfs/dbraw/zinc/92/82/64/1384928264.db2.gz RKENTQJKHZTMAP-AEFFLSMTSA-N 2 1 340.467 3.096 20 0 EGADMP COCC[NH+]1CCC([NH2+]C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173198963 1384934586 /nfs/dbraw/zinc/93/45/86/1384934586.db2.gz NBAKUCMUNBAXGK-UHFFFAOYSA-N 2 1 332.488 3.077 20 0 EGADMP CC[C@@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)C1 ZINC001173276558 1384948664 /nfs/dbraw/zinc/94/86/64/1384948664.db2.gz IWRUSIMZVUTQPZ-MJGOQNOKSA-N 2 1 330.520 3.429 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001173619400 1384990045 /nfs/dbraw/zinc/99/00/45/1384990045.db2.gz ARSBBXCXTBEQDA-AABGKKOBSA-N 2 1 344.499 3.220 20 0 EGADMP C[C@@H](c1cccc2ccccc21)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001317443195 1385144793 /nfs/dbraw/zinc/14/47/93/1385144793.db2.gz NASGUYNYBATUOA-JXFKEZNVSA-N 2 1 339.483 3.043 20 0 EGADMP C[C@@H](c1cccc2ccccc21)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001317443195 1385144795 /nfs/dbraw/zinc/14/47/95/1385144795.db2.gz NASGUYNYBATUOA-JXFKEZNVSA-N 2 1 339.483 3.043 20 0 EGADMP C[C@@H](c1cccc2ccccc21)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001317443195 1385144797 /nfs/dbraw/zinc/14/47/97/1385144797.db2.gz NASGUYNYBATUOA-JXFKEZNVSA-N 2 1 339.483 3.043 20 0 EGADMP Cc1cc(C)c(C[N@@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)c(C)c1 ZINC001317445585 1385146054 /nfs/dbraw/zinc/14/60/54/1385146054.db2.gz CKLBAUDNWWQSBW-FQEVSTJZSA-N 2 1 345.531 3.033 20 0 EGADMP Cc1cc(C)c(C[N@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)c(C)c1 ZINC001317445585 1385146056 /nfs/dbraw/zinc/14/60/56/1385146056.db2.gz CKLBAUDNWWQSBW-FQEVSTJZSA-N 2 1 345.531 3.033 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC2CCC2)C1 ZINC001174880852 1385164121 /nfs/dbraw/zinc/16/41/21/1385164121.db2.gz IHJPOSULIRMILN-MJGOQNOKSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C)C1 ZINC001174881940 1385164474 /nfs/dbraw/zinc/16/44/74/1385164474.db2.gz MTAPYEWUZWBZDU-OALUTQOASA-N 2 1 339.568 3.419 20 0 EGADMP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001174882885 1385164826 /nfs/dbraw/zinc/16/48/26/1385164826.db2.gz XOZDGRMVFMUBPT-MJGOQNOKSA-N 2 1 337.552 3.457 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174905850 1385168216 /nfs/dbraw/zinc/16/82/16/1385168216.db2.gz OOBNGZFDYIJWGW-AOIWGVFYSA-N 2 1 337.552 3.172 20 0 EGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001174930282 1385171410 /nfs/dbraw/zinc/17/14/10/1385171410.db2.gz WOCXEQAXRVFQBX-WMZOPIPTSA-N 2 1 348.535 3.209 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)CCC1CCCC1 ZINC001317489573 1385189307 /nfs/dbraw/zinc/18/93/07/1385189307.db2.gz LKRSOMKLUHFVSE-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)CCC1CCCC1 ZINC001317489573 1385189309 /nfs/dbraw/zinc/18/93/09/1385189309.db2.gz LKRSOMKLUHFVSE-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)CCC1CCCC1 ZINC001317489573 1385189311 /nfs/dbraw/zinc/18/93/11/1385189311.db2.gz LKRSOMKLUHFVSE-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175257180 1385231504 /nfs/dbraw/zinc/23/15/04/1385231504.db2.gz WCUAOUSCFQENIN-QZTJIDSGSA-N 2 1 335.536 3.236 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175262574 1385233542 /nfs/dbraw/zinc/23/35/42/1385233542.db2.gz HQYCDLICEIWEDN-ZWKOTPCHSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001317528528 1385250209 /nfs/dbraw/zinc/25/02/09/1385250209.db2.gz JLXBWFHQSXKVKG-GOSISDBHSA-N 2 1 346.519 3.025 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001317528528 1385250214 /nfs/dbraw/zinc/25/02/14/1385250214.db2.gz JLXBWFHQSXKVKG-GOSISDBHSA-N 2 1 346.519 3.025 20 0 EGADMP COc1ccc(C[C@H](C)[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC001335950108 1388974018 /nfs/dbraw/zinc/97/40/18/1388974018.db2.gz PIFWTQSYGURLMM-AWEZNQCLSA-N 2 1 330.497 3.465 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@@H](C)c1ccccc1 ZINC001317541726 1385279935 /nfs/dbraw/zinc/27/99/35/1385279935.db2.gz ZWJJXLIDXKEAMI-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H](C)c1ccccc1 ZINC001317541726 1385279936 /nfs/dbraw/zinc/27/99/36/1385279936.db2.gz ZWJJXLIDXKEAMI-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[C@@H](C)c1ccccc1 ZINC001317541726 1385279940 /nfs/dbraw/zinc/27/99/40/1385279940.db2.gz ZWJJXLIDXKEAMI-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1 ZINC001175704526 1385379537 /nfs/dbraw/zinc/37/95/37/1385379537.db2.gz YNLVKKUUPQKXAQ-INIZCTEOSA-N 2 1 334.508 3.036 20 0 EGADMP C[NH+](C)Cc1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001175857667 1385423092 /nfs/dbraw/zinc/42/30/92/1385423092.db2.gz MCMUJRMZNNZHTC-UHFFFAOYSA-N 2 1 325.456 3.324 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)cc1 ZINC001176024808 1385464269 /nfs/dbraw/zinc/46/42/69/1385464269.db2.gz SFIMHAKBCZWDED-SFHVURJKSA-N 2 1 333.520 3.101 20 0 EGADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(C(C)(C)C)cc1 ZINC001176057713 1385473972 /nfs/dbraw/zinc/47/39/72/1385473972.db2.gz RRTLWNULGOCEGD-WMZOPIPTSA-N 2 1 345.531 3.093 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176164351 1385499822 /nfs/dbraw/zinc/49/98/22/1385499822.db2.gz BCSAWRKJBYLSAU-IEBWSBKVSA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+][C@@H](C)c1ccccc1 ZINC001176285770 1385539396 /nfs/dbraw/zinc/53/93/96/1385539396.db2.gz RBYLWQYRRJZGEF-MSOLQXFVSA-N 2 1 333.520 3.354 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317936630 1385576652 /nfs/dbraw/zinc/57/66/52/1385576652.db2.gz ORTDDILCSBIQPR-GOSISDBHSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317936630 1385576656 /nfs/dbraw/zinc/57/66/56/1385576656.db2.gz ORTDDILCSBIQPR-GOSISDBHSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317936630 1385576660 /nfs/dbraw/zinc/57/66/60/1385576660.db2.gz ORTDDILCSBIQPR-GOSISDBHSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317977848 1385596382 /nfs/dbraw/zinc/59/63/82/1385596382.db2.gz ORTDDILCSBIQPR-SFHVURJKSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317977848 1385596384 /nfs/dbraw/zinc/59/63/84/1385596384.db2.gz ORTDDILCSBIQPR-SFHVURJKSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317977848 1385596388 /nfs/dbraw/zinc/59/63/88/1385596388.db2.gz ORTDDILCSBIQPR-SFHVURJKSA-N 2 1 337.552 3.412 20 0 EGADMP Cc1cc(C)cc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001176564340 1385626085 /nfs/dbraw/zinc/62/60/85/1385626085.db2.gz OJMBRUVQECVOTO-QUCCMNQESA-N 2 1 345.531 3.020 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH2+]CCC1=CCCCC1 ZINC001176590543 1385633800 /nfs/dbraw/zinc/63/38/00/1385633800.db2.gz AMEPDGKWIDBDQQ-QGZVFWFLSA-N 2 1 346.519 3.347 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001176760231 1385686942 /nfs/dbraw/zinc/68/69/42/1385686942.db2.gz RSVHRUZFPFWMOU-KRWDZBQOSA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176819507 1385712235 /nfs/dbraw/zinc/71/22/35/1385712235.db2.gz BGNVNARMCPGFPL-LJQANCHMSA-N 2 1 347.547 3.429 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176819507 1385712239 /nfs/dbraw/zinc/71/22/39/1385712239.db2.gz BGNVNARMCPGFPL-LJQANCHMSA-N 2 1 347.547 3.429 20 0 EGADMP C[C@H]([NH2+]CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC001177021406 1385775356 /nfs/dbraw/zinc/77/53/56/1385775356.db2.gz VKCGXINLYJUTKO-FXAWDEMLSA-N 2 1 339.483 3.146 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001177267634 1385890525 /nfs/dbraw/zinc/89/05/25/1385890525.db2.gz UQIVSIQOWASGCN-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001177317350 1385912442 /nfs/dbraw/zinc/91/24/42/1385912442.db2.gz UXBWTNDJEHFMDC-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH2+]Cc1ccc(CNC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC001318999124 1385917631 /nfs/dbraw/zinc/91/76/31/1385917631.db2.gz PFWQTJIZASWEEW-UHFFFAOYSA-N 2 1 331.504 3.067 20 0 EGADMP O=C(NCCC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001319021017 1385931260 /nfs/dbraw/zinc/93/12/60/1385931260.db2.gz QVNCCWJJSJOPMC-FQEVSTJZSA-N 2 1 347.547 3.022 20 0 EGADMP CCCCC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1c[nH+]cc1C ZINC001177368807 1385932371 /nfs/dbraw/zinc/93/23/71/1385932371.db2.gz YBUUDDDVGDNIFH-UHFFFAOYSA-N 2 1 348.535 3.380 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001177394230 1385940949 /nfs/dbraw/zinc/94/09/49/1385940949.db2.gz CRRYAZHITYOJRF-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001178527409 1386241513 /nfs/dbraw/zinc/24/15/13/1386241513.db2.gz KYSFYINJKMRQRV-QGZVFWFLSA-N 2 1 348.535 3.463 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H]1C ZINC001178688713 1386277862 /nfs/dbraw/zinc/27/78/62/1386277862.db2.gz HPOGWNUGIQVFEC-YSIASYRMSA-N 2 1 349.563 3.409 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001178698207 1386281853 /nfs/dbraw/zinc/28/18/53/1386281853.db2.gz BRBAVGWWPPCIIW-QGZVFWFLSA-N 2 1 334.508 3.217 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H]([NH2+]CC(CC)CC)[C@@H]1C ZINC001178736261 1386292300 /nfs/dbraw/zinc/29/23/00/1386292300.db2.gz RQZBKVQZBMEKII-BQFCYCMXSA-N 2 1 348.535 3.412 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H]([NH2+]CCC(C)C)[C@@H]1C ZINC001178735907 1386292472 /nfs/dbraw/zinc/29/24/72/1386292472.db2.gz JWGPFNREMGJUEO-ULQDDVLXSA-N 2 1 334.508 3.022 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1ccc(F)cc1 ZINC001178827914 1386320483 /nfs/dbraw/zinc/32/04/83/1386320483.db2.gz OJMJKBPYLHADOL-LJQANCHMSA-N 2 1 349.494 3.076 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001178832504 1386321625 /nfs/dbraw/zinc/32/16/25/1386321625.db2.gz HKMJEDPOFKKSSO-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001178833608 1386322105 /nfs/dbraw/zinc/32/21/05/1386322105.db2.gz YRSWIIALLQFJOO-QGZVFWFLSA-N 2 1 325.541 3.173 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001320067399 1386487036 /nfs/dbraw/zinc/48/70/36/1386487036.db2.gz REHAKZLAYOMZRU-GOSISDBHSA-N 2 1 339.568 3.179 20 0 EGADMP CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001320072332 1386491077 /nfs/dbraw/zinc/49/10/77/1386491077.db2.gz HZVACPCTJSVQOS-PBHICJAKSA-N 2 1 339.911 3.131 20 0 EGADMP Cc1cccc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]2C)c1 ZINC001179550190 1386511767 /nfs/dbraw/zinc/51/17/67/1386511767.db2.gz QXHKUFPENNCPGE-HKUYNNGSSA-N 2 1 345.531 3.052 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001179580826 1386522542 /nfs/dbraw/zinc/52/25/42/1386522542.db2.gz RONXVYZSTSWOMR-QGZVFWFLSA-N 2 1 337.552 3.173 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001179587302 1386523761 /nfs/dbraw/zinc/52/37/61/1386523761.db2.gz YCSXPGUDXFAYMO-WMZOPIPTSA-N 2 1 348.535 3.066 20 0 EGADMP CC(C)C[NH2+]CCCCCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001179590749 1386525495 /nfs/dbraw/zinc/52/54/95/1386525495.db2.gz LJUAEBUCBVHDRJ-IBGZPJMESA-N 2 1 343.531 3.121 20 0 EGADMP CCCCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179652073 1386540819 /nfs/dbraw/zinc/54/08/19/1386540819.db2.gz NLPGYROENACKGP-IRXDYDNUSA-N 2 1 334.508 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCCCCC[NH2+]CCCF ZINC001179741993 1386568883 /nfs/dbraw/zinc/56/88/83/1386568883.db2.gz RFHNMQNXQUGPLR-UHFFFAOYSA-N 2 1 340.487 3.022 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)[C@@H]1C ZINC001179976199 1386654957 /nfs/dbraw/zinc/65/49/57/1386654957.db2.gz JPJUKMMAOJCVTF-HWJGFJICSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2C)[C@@H]1C ZINC001179976481 1386655054 /nfs/dbraw/zinc/65/50/54/1386655054.db2.gz PLLLCWCTRJAUQK-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)[C@@H]1C ZINC001179983066 1386657841 /nfs/dbraw/zinc/65/78/41/1386657841.db2.gz KLBDYDHJCAQIKJ-BXWFABGCSA-N 2 1 349.494 3.198 20 0 EGADMP CCC/C=C\CC[NH2+]CCCCCCNC(=O)CC[N@@H+](C)CC ZINC001179988939 1386659899 /nfs/dbraw/zinc/65/98/99/1386659899.db2.gz QLGOEUGNOZYSPT-FPLPWBNLSA-N 2 1 325.541 3.341 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180259776 1386748581 /nfs/dbraw/zinc/74/85/81/1386748581.db2.gz MGBYWBFNQBHEPY-RBUKOAKNSA-N 2 1 345.531 3.274 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001180373273 1386777708 /nfs/dbraw/zinc/77/77/08/1386777708.db2.gz ZUIXQKLOERFGRJ-ROUUACIJSA-N 2 1 325.541 3.173 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C)cc1Cl ZINC001181483884 1387002774 /nfs/dbraw/zinc/00/27/74/1387002774.db2.gz AXFQZDMLNQWPIP-GOSISDBHSA-N 2 1 337.939 3.496 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001322051131 1387039807 /nfs/dbraw/zinc/03/98/07/1387039807.db2.gz WYKGXRQAAVTXPN-KXBFYZLASA-N 2 1 349.494 3.029 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C(=O)N[C@@]1(C)CCC[NH+](C)C1)c1ccccc1 ZINC001182238556 1387129690 /nfs/dbraw/zinc/12/96/90/1387129690.db2.gz XWCIQSSIOQZSLD-CTNGQTDRSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+](CC)[C@@H](C(=O)N[C@@]1(C)CCC[N@H+](C)C1)c1ccccc1 ZINC001182238556 1387129692 /nfs/dbraw/zinc/12/96/92/1387129692.db2.gz XWCIQSSIOQZSLD-CTNGQTDRSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+](CC)[C@@H](C(=O)N[C@@]1(C)CCC[N@@H+](C)C1)c1ccccc1 ZINC001182238556 1387129694 /nfs/dbraw/zinc/12/96/94/1387129694.db2.gz XWCIQSSIOQZSLD-CTNGQTDRSA-N 2 1 345.531 3.450 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)c(C)c1OC ZINC001322447686 1387188345 /nfs/dbraw/zinc/18/83/45/1387188345.db2.gz ZPKFRHDTYKREKO-QGTPRVQTSA-N 2 1 334.504 3.406 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CCCC2)C1 ZINC001182614096 1387196551 /nfs/dbraw/zinc/19/65/51/1387196551.db2.gz AHINWTVUGYQKED-DBXWQHBBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC001336779186 1389167403 /nfs/dbraw/zinc/16/74/03/1389167403.db2.gz IGLUODSFMWTTHQ-WBMJQRKESA-N 2 1 328.859 3.223 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001336780563 1389168263 /nfs/dbraw/zinc/16/82/63/1389168263.db2.gz NUKCLLZQLORFPW-HNNXBMFYSA-N 2 1 335.467 3.173 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001329622371 1389188046 /nfs/dbraw/zinc/18/80/46/1389188046.db2.gz DAEUZLNCVBCRQI-RBUKOAKNSA-N 2 1 345.531 3.369 20 0 EGADMP CC[NH+](CC)C1CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC001329862534 1389239606 /nfs/dbraw/zinc/23/96/06/1389239606.db2.gz JAWCYLMGRDHZJP-GOSISDBHSA-N 2 1 347.528 3.296 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2cccc(F)c2)c1 ZINC001338460610 1389688417 /nfs/dbraw/zinc/68/84/17/1389688417.db2.gz IRPWUGDAFDELIR-FQEVSTJZSA-N 2 1 330.447 3.489 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CCCCC1CC[NH2+]CC1 ZINC001340166721 1390240553 /nfs/dbraw/zinc/24/05/53/1390240553.db2.gz CPCVFWBDNAPQCR-GOSISDBHSA-N 2 1 337.552 3.317 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001333140468 1390255414 /nfs/dbraw/zinc/25/54/14/1390255414.db2.gz IRIGLSQSPIUBLK-QHGAOEGBSA-N 2 1 345.531 3.367 20 0 EGADMP CCCCC[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001341041110 1390430611 /nfs/dbraw/zinc/43/06/11/1390430611.db2.gz NOBHTLXIGORUAT-YTQUADARSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001341341060 1390473993 /nfs/dbraw/zinc/47/39/93/1390473993.db2.gz FMOMKUWFEAQNBO-KZNAEPCWSA-N 2 1 334.504 3.487 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CCCC[C@@H]1C(=O)OC ZINC001334200459 1390497311 /nfs/dbraw/zinc/49/73/11/1390497311.db2.gz FXIVJVMRULOYKB-IRXDYDNUSA-N 2 1 335.492 3.137 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CCCC[C@@H]1C(=O)OC ZINC001334200459 1390497312 /nfs/dbraw/zinc/49/73/12/1390497312.db2.gz FXIVJVMRULOYKB-IRXDYDNUSA-N 2 1 335.492 3.137 20 0 EGADMP C[C@H](C[C@H](C)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C)NC(=O)OC(C)(C)C ZINC001341585246 1390506246 /nfs/dbraw/zinc/50/62/46/1390506246.db2.gz BZEHXTDIIUJBMA-XUWVNRHRSA-N 2 1 327.513 3.141 20 0 EGADMP O=C(Nc1cccc2c1C[NH2+]C2)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001341621511 1390510835 /nfs/dbraw/zinc/51/08/35/1390510835.db2.gz AVFHNPUYKVRSKW-FQEVSTJZSA-N 2 1 335.451 3.283 20 0 EGADMP CC(C)C[C@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001341701028 1390518972 /nfs/dbraw/zinc/51/89/72/1390518972.db2.gz MPPATERGBNMGOJ-IHPCNDPISA-N 2 1 345.531 3.261 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(C)c1OC ZINC001334355201 1390524225 /nfs/dbraw/zinc/52/42/25/1390524225.db2.gz AMHSTIMPSJPRJQ-OKZBNKHCSA-N 2 1 332.488 3.174 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC([NH2+]C2CCC2)CC1)c1cccc(Cl)c1 ZINC001342660099 1390637791 /nfs/dbraw/zinc/63/77/91/1390637791.db2.gz KWVVLQXHRACBSQ-SFHVURJKSA-N 2 1 349.906 3.076 20 0 EGADMP COc1cc(F)c(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1OC ZINC001335151141 1390649590 /nfs/dbraw/zinc/64/95/90/1390649590.db2.gz TVTRMCJGWOCQHZ-LZWOXQAQSA-N 2 1 336.451 3.005 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)C1CCSCC1 ZINC001343090447 1390690755 /nfs/dbraw/zinc/69/07/55/1390690755.db2.gz UONWGXBTHAAWBH-QGZVFWFLSA-N 2 1 347.572 3.055 20 0 EGADMP C[C@@H]([NH2+]CCOC1CCSCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001335506931 1390695729 /nfs/dbraw/zinc/69/57/29/1390695729.db2.gz QXJBUYVMEAHCMY-MJGOQNOKSA-N 2 1 348.556 3.399 20 0 EGADMP C[C@@H]1C[C@H](C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC[NH2+]1 ZINC001343371311 1390709732 /nfs/dbraw/zinc/70/97/32/1390709732.db2.gz HYRGAEYSTOSDFR-JFIYKMOQSA-N 2 1 329.488 3.388 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001349324272 1391320916 /nfs/dbraw/zinc/32/09/16/1391320916.db2.gz DVCOOOQHHQKXBT-UHFFFAOYSA-N 2 1 340.471 3.051 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC001353583109 1392043950 /nfs/dbraw/zinc/04/39/50/1392043950.db2.gz CBVOIZVBBHUTOK-UHFFFAOYSA-N 2 1 341.455 3.005 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH2+][C@@H](CC)c2ccccc2)C1 ZINC001480304277 1392668322 /nfs/dbraw/zinc/66/83/22/1392668322.db2.gz WVWHEBZXOAPVJW-QUCCMNQESA-N 2 1 345.531 3.308 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1c(C)cccc1C ZINC001480333048 1392692076 /nfs/dbraw/zinc/69/20/76/1392692076.db2.gz SWIUQSHDSPDBKV-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1c(C)cccc1C ZINC001480333048 1392692079 /nfs/dbraw/zinc/69/20/79/1392692079.db2.gz SWIUQSHDSPDBKV-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1c(C)cccc1C ZINC001480333048 1392692080 /nfs/dbraw/zinc/69/20/80/1392692080.db2.gz SWIUQSHDSPDBKV-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001481181632 1393143309 /nfs/dbraw/zinc/14/33/09/1393143309.db2.gz CKTMDCHOYKJFLP-PXNSSMCTSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001481181632 1393143311 /nfs/dbraw/zinc/14/33/11/1393143311.db2.gz CKTMDCHOYKJFLP-PXNSSMCTSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001481181632 1393143312 /nfs/dbraw/zinc/14/33/12/1393143312.db2.gz CKTMDCHOYKJFLP-PXNSSMCTSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1C[NH+](CCNC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001481186491 1393144996 /nfs/dbraw/zinc/14/49/96/1393144996.db2.gz RRRZUMOJFXSKOJ-UHFFFAOYSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccccc1C[N@@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)C1CC1 ZINC001481186491 1393144997 /nfs/dbraw/zinc/14/49/97/1393144997.db2.gz RRRZUMOJFXSKOJ-UHFFFAOYSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccccc1C[N@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)C1CC1 ZINC001481186491 1393144998 /nfs/dbraw/zinc/14/49/98/1393144998.db2.gz RRRZUMOJFXSKOJ-UHFFFAOYSA-N 2 1 345.531 3.054 20 0 EGADMP CC(C)[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccc(C(C)C)cc1 ZINC001481361571 1394201557 /nfs/dbraw/zinc/20/15/57/1394201557.db2.gz ZWKABZNKTUWNSP-FQEVSTJZSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001490561024 1394260308 /nfs/dbraw/zinc/26/03/08/1394260308.db2.gz MLTQIPDKBYHULR-RBUKOAKNSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001490561024 1394260310 /nfs/dbraw/zinc/26/03/10/1394260310.db2.gz MLTQIPDKBYHULR-RBUKOAKNSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001490561024 1394260315 /nfs/dbraw/zinc/26/03/15/1394260315.db2.gz MLTQIPDKBYHULR-RBUKOAKNSA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001490561023 1394260952 /nfs/dbraw/zinc/26/09/52/1394260952.db2.gz MLTQIPDKBYHULR-OALUTQOASA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001490561023 1394260958 /nfs/dbraw/zinc/26/09/58/1394260958.db2.gz MLTQIPDKBYHULR-OALUTQOASA-N 2 1 345.531 3.306 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001490561023 1394260960 /nfs/dbraw/zinc/26/09/60/1394260960.db2.gz MLTQIPDKBYHULR-OALUTQOASA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001490764886 1394327214 /nfs/dbraw/zinc/32/72/14/1394327214.db2.gz HCKLTCFFSXOUAG-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001698951576 1406691643 /nfs/dbraw/zinc/69/16/43/1406691643.db2.gz FLQSPCITTBQZTG-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001698951576 1406691645 /nfs/dbraw/zinc/69/16/45/1406691645.db2.gz FLQSPCITTBQZTG-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001698951576 1406691650 /nfs/dbraw/zinc/69/16/50/1406691650.db2.gz FLQSPCITTBQZTG-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001481629711 1394425232 /nfs/dbraw/zinc/42/52/32/1394425232.db2.gz TVAHLGCWQKDDOW-XLIONFOSSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(F)c1 ZINC001482065759 1394726909 /nfs/dbraw/zinc/72/69/09/1394726909.db2.gz SINNGFNJAWBQFV-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH2+]CC1CCCCC1 ZINC001482336558 1394904749 /nfs/dbraw/zinc/90/47/49/1394904749.db2.gz JDXBHPDSWDOPDL-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc2ccccc2c1 ZINC001482356323 1394919535 /nfs/dbraw/zinc/91/95/35/1394919535.db2.gz NHKQSLQSVIBTPE-QGZVFWFLSA-N 2 1 341.499 3.118 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CCCC(C)(C)C)CC2 ZINC001483834282 1395102325 /nfs/dbraw/zinc/10/23/25/1395102325.db2.gz ADEDBRMDZMVXPM-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)C[C@@H]1C ZINC001483917294 1395144102 /nfs/dbraw/zinc/14/41/02/1395144102.db2.gz VFBQJGHLPDVNCI-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001484136966 1395273951 /nfs/dbraw/zinc/27/39/51/1395273951.db2.gz IFNCDXNSIMNABI-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001484172566 1395314345 /nfs/dbraw/zinc/31/43/45/1395314345.db2.gz GFXWZRKJDNHLCT-ICSRJNTNSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)[C@@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC1CCCCC1 ZINC001485427210 1395893711 /nfs/dbraw/zinc/89/37/11/1395893711.db2.gz ADEHBJJNQRVXJT-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC001502999385 1396239047 /nfs/dbraw/zinc/23/90/47/1396239047.db2.gz APAYVNXGRWBBCJ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC001502999385 1396239050 /nfs/dbraw/zinc/23/90/50/1396239050.db2.gz APAYVNXGRWBBCJ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC001502999385 1396239051 /nfs/dbraw/zinc/23/90/51/1396239051.db2.gz APAYVNXGRWBBCJ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC001503645553 1396261284 /nfs/dbraw/zinc/26/12/84/1396261284.db2.gz FDXHLKLRPLWMGR-GJZGRUSLSA-N 2 1 339.911 3.226 20 0 EGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001492819277 1396325019 /nfs/dbraw/zinc/32/50/19/1396325019.db2.gz PZIJFIPCEMLDDK-SJORKVTESA-N 2 1 339.911 3.179 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCCCC1)[NH+](C)C ZINC001493138022 1396337910 /nfs/dbraw/zinc/33/79/10/1396337910.db2.gz NZNVJRKYBXHMBY-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001687475435 1396387247 /nfs/dbraw/zinc/38/72/47/1396387247.db2.gz CYJLSVAPMXNGOZ-QUCCMNQESA-N 2 1 343.515 3.073 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001687475435 1396387250 /nfs/dbraw/zinc/38/72/50/1396387250.db2.gz CYJLSVAPMXNGOZ-QUCCMNQESA-N 2 1 343.515 3.073 20 0 EGADMP CCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001494214431 1396403317 /nfs/dbraw/zinc/40/33/17/1396403317.db2.gz INVXRUMROXYOQY-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@H](CC)c2ccc(F)cc2)C1 ZINC001494294050 1396421937 /nfs/dbraw/zinc/42/19/37/1396421937.db2.gz OQQQEUMTIOTKLI-RTBURBONSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H](CC)c2ccc(F)cc2)C1 ZINC001494294050 1396421939 /nfs/dbraw/zinc/42/19/39/1396421939.db2.gz OQQQEUMTIOTKLI-RTBURBONSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@H](CC)c2ccc(F)cc2)C1 ZINC001494294050 1396421940 /nfs/dbraw/zinc/42/19/40/1396421940.db2.gz OQQQEUMTIOTKLI-RTBURBONSA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC001495750665 1396555857 /nfs/dbraw/zinc/55/58/57/1396555857.db2.gz LNYYYTOFFHFUID-IAGOWNOFSA-N 2 1 342.487 3.110 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)Cc1cc(C)cc(C)c1 ZINC001496713665 1396722541 /nfs/dbraw/zinc/72/25/41/1396722541.db2.gz DPDLDXFFKQZAKD-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC001496713665 1396722545 /nfs/dbraw/zinc/72/25/45/1396722545.db2.gz DPDLDXFFKQZAKD-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC001496713665 1396722550 /nfs/dbraw/zinc/72/25/50/1396722550.db2.gz DPDLDXFFKQZAKD-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP C[C@H](C[N@@H+](C)[C@H](C)c1cccc(Cl)c1)NC(=O)CCC[NH+](C)C ZINC001498370077 1396976844 /nfs/dbraw/zinc/97/68/44/1396976844.db2.gz UPFGJJBIHJOEEG-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CC(C)[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001498488801 1397033687 /nfs/dbraw/zinc/03/36/87/1397033687.db2.gz JJAGSQSNQBORCA-IEBWSBKVSA-N 2 1 337.552 3.314 20 0 EGADMP Cc1cc(C[NH2+][C@H](C)CCNC(=O)Cn2cc[nH+]c2C(C)C)cs1 ZINC001690866810 1404784901 /nfs/dbraw/zinc/78/49/01/1404784901.db2.gz BENJWFNAQSKMNZ-CQSZACIVSA-N 2 1 348.516 3.061 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[N@H+](C)CC[C@H]1CCC[C@H](C)C1 ZINC001690980497 1404890642 /nfs/dbraw/zinc/89/06/42/1404890642.db2.gz JQIXVHDURKPKPG-ZWKOTPCHSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[N@@H+](C)CC[C@H]1CCC[C@H](C)C1 ZINC001690980497 1404890648 /nfs/dbraw/zinc/89/06/48/1404890648.db2.gz JQIXVHDURKPKPG-ZWKOTPCHSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](C)c1ccccc1 ZINC001690982142 1404895099 /nfs/dbraw/zinc/89/50/99/1404895099.db2.gz QLAFIKLURRTFMF-PKOBYXMFSA-N 2 1 331.504 3.059 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001690982142 1404895102 /nfs/dbraw/zinc/89/51/02/1404895102.db2.gz QLAFIKLURRTFMF-PKOBYXMFSA-N 2 1 331.504 3.059 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001690982142 1404895105 /nfs/dbraw/zinc/89/51/05/1404895105.db2.gz QLAFIKLURRTFMF-PKOBYXMFSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@H](C(=O)NCC[N@@H+](CC)[C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001691047420 1404959439 /nfs/dbraw/zinc/95/94/39/1404959439.db2.gz BHGXFPXEPHRTAY-WMLDXEAASA-N 2 1 339.911 3.179 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC2(C[C@H]1C)CC[NH+](CC1CC(C)C1)CC2 ZINC001691960023 1405676773 /nfs/dbraw/zinc/67/67/73/1405676773.db2.gz JAGBQILFGGFSJR-JLAWEPINSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CCC(=O)NCC1C[NH+](CCC2CCCC2)C1)C1CCCCC1 ZINC001692320839 1405939556 /nfs/dbraw/zinc/93/95/56/1405939556.db2.gz LUHZGSOIKYZDBH-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC[C@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001732058369 1428303838 /nfs/dbraw/zinc/30/38/38/1428303838.db2.gz FJKLDSMNIXYFEF-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC001732058369 1428303842 /nfs/dbraw/zinc/30/38/42/1428303842.db2.gz FJKLDSMNIXYFEF-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NCC[C@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC001732058369 1428303846 /nfs/dbraw/zinc/30/38/46/1428303846.db2.gz FJKLDSMNIXYFEF-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001732134616 1428381129 /nfs/dbraw/zinc/38/11/29/1428381129.db2.gz PIHJXWSPGKALSN-LJQANCHMSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@H](C[NH2+]CC1CCC(C(C)(C)C)CC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001699374331 1412681085 /nfs/dbraw/zinc/68/10/85/1412681085.db2.gz QYAYGQWLQFLXHQ-AQEOSJORSA-N 2 1 337.552 3.027 20 0 EGADMP C[C@@H](C[N@@H+](C)CC/C=C\c1ccccc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001699445917 1412780025 /nfs/dbraw/zinc/78/00/25/1412780025.db2.gz JABOZNIMYDRLEE-ZHJQRIIBSA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001699606808 1412970619 /nfs/dbraw/zinc/97/06/19/1412970619.db2.gz OSVPXUIBFFCNHF-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@@H]1C ZINC001699738031 1413148962 /nfs/dbraw/zinc/14/89/62/1413148962.db2.gz JNKUEBYWKIQWFZ-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001699879498 1413345212 /nfs/dbraw/zinc/34/52/12/1413345212.db2.gz QIASOZFXRLJCBG-NRFANRHFSA-N 2 1 345.531 3.137 20 0 EGADMP CCCC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001699879498 1413345218 /nfs/dbraw/zinc/34/52/18/1413345218.db2.gz QIASOZFXRLJCBG-NRFANRHFSA-N 2 1 345.531 3.137 20 0 EGADMP CCCC[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001699879498 1413345219 /nfs/dbraw/zinc/34/52/19/1413345219.db2.gz QIASOZFXRLJCBG-NRFANRHFSA-N 2 1 345.531 3.137 20 0 EGADMP CCCC[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001699879498 1413345224 /nfs/dbraw/zinc/34/52/24/1413345224.db2.gz QIASOZFXRLJCBG-NRFANRHFSA-N 2 1 345.531 3.137 20 0 EGADMP CCC[N@@H+](CC)CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001700341433 1413823724 /nfs/dbraw/zinc/82/37/24/1413823724.db2.gz OBLGIDZKNZEBGH-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)[C@@H](C)c1ccc(F)cc1 ZINC001700365007 1413887144 /nfs/dbraw/zinc/88/71/44/1413887144.db2.gz SZZVSNNNDHLMLY-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001700365007 1413887147 /nfs/dbraw/zinc/88/71/47/1413887147.db2.gz SZZVSNNNDHLMLY-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001700365007 1413887151 /nfs/dbraw/zinc/88/71/51/1413887151.db2.gz SZZVSNNNDHLMLY-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCc1cccc(C[NH+]2CCC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H]2C)c1 ZINC001700885935 1414544221 /nfs/dbraw/zinc/54/42/21/1414544221.db2.gz AIDZQEAMWIPTLD-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[N@H+]2CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@H]2C)c1 ZINC001700885935 1414544223 /nfs/dbraw/zinc/54/42/23/1414544223.db2.gz AIDZQEAMWIPTLD-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@H]2C)c1 ZINC001700885935 1414544225 /nfs/dbraw/zinc/54/42/25/1414544225.db2.gz AIDZQEAMWIPTLD-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C2)cc1 ZINC001701023779 1414685328 /nfs/dbraw/zinc/68/53/28/1414685328.db2.gz OYUIXGIFHCTZTM-UHFFFAOYSA-N 2 1 345.531 3.052 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001733043008 1429173002 /nfs/dbraw/zinc/17/30/02/1429173002.db2.gz BRRJYQJSEMKSLP-FUHWJXTLSA-N 2 1 331.504 3.059 20 0 EGADMP Cc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C2)c1 ZINC001713277525 1417899182 /nfs/dbraw/zinc/89/91/82/1417899182.db2.gz JOFKEFAWZKIOGB-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CCC1CCCCCC1 ZINC001713487287 1418181991 /nfs/dbraw/zinc/18/19/91/1418181991.db2.gz NQCKZTVIOKHCJB-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)CCC1CCCCCC1 ZINC001713487287 1418181999 /nfs/dbraw/zinc/18/19/99/1418181999.db2.gz NQCKZTVIOKHCJB-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)CCC1CCCCCC1 ZINC001713487287 1418182008 /nfs/dbraw/zinc/18/20/08/1418182008.db2.gz NQCKZTVIOKHCJB-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@@H](C)c1cccc(C)c1 ZINC001713493862 1418196739 /nfs/dbraw/zinc/19/67/39/1418196739.db2.gz SYQKOWURLYLNFW-SFHVURJKSA-N 2 1 345.531 3.226 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)CC1CCCCCC1 ZINC001713497425 1418209070 /nfs/dbraw/zinc/20/90/70/1418209070.db2.gz MMENKBQPVCCBDR-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)CC1CCCCCC1 ZINC001713497425 1418209071 /nfs/dbraw/zinc/20/90/71/1418209071.db2.gz MMENKBQPVCCBDR-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)CC1CCCCCC1 ZINC001713497425 1418209076 /nfs/dbraw/zinc/20/90/76/1418209076.db2.gz MMENKBQPVCCBDR-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCCC2)CC1 ZINC001713516248 1418251758 /nfs/dbraw/zinc/25/17/58/1418251758.db2.gz JXUKPRLVNHSKOI-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001714054582 1418852952 /nfs/dbraw/zinc/85/29/52/1418852952.db2.gz XUHMOUBMODQOAC-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2(C[NH2+]C[C@@H](C)CC)CCCC2)C1 ZINC001714140715 1418943352 /nfs/dbraw/zinc/94/33/52/1418943352.db2.gz TWIXFBFRHJMDBD-ZWKOTPCHSA-N 2 1 337.552 3.173 20 0 EGADMP CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001714353651 1419119461 /nfs/dbraw/zinc/11/94/61/1419119461.db2.gz AMUNIKQXWROZSD-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001714413724 1419152175 /nfs/dbraw/zinc/15/21/75/1419152175.db2.gz XTQXOIOGHBBYEY-OALUTQOASA-N 2 1 337.552 3.316 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001714446998 1419178932 /nfs/dbraw/zinc/17/89/32/1419178932.db2.gz XUIYUUQBFMAMNX-MOPGFXCFSA-N 2 1 345.531 3.321 20 0 EGADMP C[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)C[NH2+]CC1CCCCC1 ZINC001714453452 1419185984 /nfs/dbraw/zinc/18/59/84/1419185984.db2.gz NCORENJDLMZSMY-PXNSSMCTSA-N 2 1 345.531 3.212 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CC/C=C\c1ccccc1 ZINC001714572674 1419306349 /nfs/dbraw/zinc/30/63/49/1419306349.db2.gz QOFRGOQKORKFMO-SJAUKRLSSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)CC/C=C\c1ccccc1 ZINC001714572674 1419306352 /nfs/dbraw/zinc/30/63/52/1419306352.db2.gz QOFRGOQKORKFMO-SJAUKRLSSA-N 2 1 343.515 3.012 20 0 EGADMP CC[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)Cc1cc(C)ccc1C ZINC001714598535 1419353088 /nfs/dbraw/zinc/35/30/88/1419353088.db2.gz BVSMRCXRHBZHRY-UHFFFAOYSA-N 2 1 345.531 3.118 20 0 EGADMP Cc1ccccc1C[N@@H+](CCNC(=O)c1cc2c[nH]ccc-2n1)C1CC1 ZINC001714669697 1419459160 /nfs/dbraw/zinc/45/91/60/1419459160.db2.gz LSUDNPARIZKRMF-UHFFFAOYSA-N 2 1 348.450 3.266 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(C)cc2)CC1 ZINC001714819021 1419529014 /nfs/dbraw/zinc/52/90/14/1419529014.db2.gz WBAQTJRXSQBIEH-SFHVURJKSA-N 2 1 345.531 3.054 20 0 EGADMP CCCN(C(=O)CCC[NH+]1CCCC1)[C@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001714867855 1419595625 /nfs/dbraw/zinc/59/56/25/1419595625.db2.gz XFOUNQXTMRRLLA-MHJFOBGBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001715000832 1419731563 /nfs/dbraw/zinc/73/15/63/1419731563.db2.gz FTRPXMNXMXHCNL-IPMKNSEASA-N 2 1 349.494 3.054 20 0 EGADMP CCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC001715035817 1419770597 /nfs/dbraw/zinc/77/05/97/1419770597.db2.gz AWNMPRWMZNHBMY-IEBWSBKVSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)C[N@H+](C)C1CCC1)[C@@H]1CC[NH+](C[C@H](C)CC(C)C)C1 ZINC001715035817 1419770600 /nfs/dbraw/zinc/77/06/00/1419770600.db2.gz AWNMPRWMZNHBMY-IEBWSBKVSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)C[N@@H+](C)C1CCC1)[C@@H]1CC[NH+](C[C@H](C)CC(C)C)C1 ZINC001715035817 1419770602 /nfs/dbraw/zinc/77/06/02/1419770602.db2.gz AWNMPRWMZNHBMY-IEBWSBKVSA-N 2 1 337.552 3.076 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001715375259 1420071153 /nfs/dbraw/zinc/07/11/53/1420071153.db2.gz LTKYNIYXRXBYOW-KGLIPLIRSA-N 2 1 348.878 3.043 20 0 EGADMP CCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001715480535 1420159427 /nfs/dbraw/zinc/15/94/27/1420159427.db2.gz HLMGYKNLWXWIPQ-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001715480535 1420159428 /nfs/dbraw/zinc/15/94/28/1420159428.db2.gz HLMGYKNLWXWIPQ-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001715480535 1420159430 /nfs/dbraw/zinc/15/94/30/1420159430.db2.gz HLMGYKNLWXWIPQ-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP C[N@@H+](CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1)CC1CCCCC1 ZINC001715499076 1420181187 /nfs/dbraw/zinc/18/11/87/1420181187.db2.gz QFIBRSRMNQVHMX-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)CC1CCCCC1 ZINC001715499076 1420181188 /nfs/dbraw/zinc/18/11/88/1420181188.db2.gz QFIBRSRMNQVHMX-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)CC1CCCCC1 ZINC001715499076 1420181190 /nfs/dbraw/zinc/18/11/90/1420181190.db2.gz QFIBRSRMNQVHMX-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)CCC1CCCCCC1)[NH+](C)C ZINC001715857093 1420369646 /nfs/dbraw/zinc/36/96/46/1420369646.db2.gz BATHICGYKHEQGV-IBGZPJMESA-N 2 1 339.568 3.323 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(C)ccc1C ZINC001716072158 1420527965 /nfs/dbraw/zinc/52/79/65/1420527965.db2.gz CLJHDMGZOFSGCO-QUCCMNQESA-N 2 1 345.531 3.020 20 0 EGADMP C[C@H](c1ccccc1Cl)[N@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001716492793 1420714616 /nfs/dbraw/zinc/71/46/16/1420714616.db2.gz WQONCANOMPEJMK-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)CCCN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001717211201 1421184994 /nfs/dbraw/zinc/18/49/94/1421184994.db2.gz ICAPDNGPIPWWSQ-SFHVURJKSA-N 2 1 345.531 3.178 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)CC1(C)C)[NH+](C)C ZINC001717312425 1421257444 /nfs/dbraw/zinc/25/74/44/1421257444.db2.gz UPVZUPJWNDEDJY-RTBURBONSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@H](c1ccccc1Cl)[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001717485960 1421422588 /nfs/dbraw/zinc/42/25/88/1421422588.db2.gz WYGUFGIFWMIGFZ-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+](C)CC1CCCCCC1 ZINC001717488674 1421426170 /nfs/dbraw/zinc/42/61/70/1421426170.db2.gz YXSFDHVWSLIVAC-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP C[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@H+](C)CC1CCCCCC1 ZINC001717488674 1421426171 /nfs/dbraw/zinc/42/61/71/1421426171.db2.gz YXSFDHVWSLIVAC-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP C[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)[N@@H+](C)CC1CCCCCC1 ZINC001717488674 1421426172 /nfs/dbraw/zinc/42/61/72/1421426172.db2.gz YXSFDHVWSLIVAC-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001717748108 1421610693 /nfs/dbraw/zinc/61/06/93/1421610693.db2.gz ATSVEPGNFJZPOD-QGZVFWFLSA-N 2 1 347.547 3.262 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)[C@@H]1C ZINC001717859822 1421672092 /nfs/dbraw/zinc/67/20/92/1421672092.db2.gz FOJDHQIIDPJLFP-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)[C@@H]1C ZINC001717859822 1421672093 /nfs/dbraw/zinc/67/20/93/1421672093.db2.gz FOJDHQIIDPJLFP-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)[C@@H]1C ZINC001717859822 1421672094 /nfs/dbraw/zinc/67/20/94/1421672094.db2.gz FOJDHQIIDPJLFP-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1)C1CCC1 ZINC001717873548 1421681419 /nfs/dbraw/zinc/68/14/19/1421681419.db2.gz RXXAXDQQVUFDIR-OALUTQOASA-N 2 1 349.563 3.316 20 0 EGADMP Cc1ccccc1C[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001733412385 1429613188 /nfs/dbraw/zinc/61/31/88/1429613188.db2.gz MTNOWJPDOYMSCZ-NRFANRHFSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccccc1C[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001733412385 1429613192 /nfs/dbraw/zinc/61/31/92/1429613192.db2.gz MTNOWJPDOYMSCZ-NRFANRHFSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccccc1C[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001733412385 1429613194 /nfs/dbraw/zinc/61/31/94/1429613194.db2.gz MTNOWJPDOYMSCZ-NRFANRHFSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC/C=C\c2ccccc2)C1 ZINC001733412709 1429614776 /nfs/dbraw/zinc/61/47/76/1429614776.db2.gz ONYVTAHKYPKJAE-UOMAQRANSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+](CC/C=C\c2ccccc2)C1 ZINC001733412709 1429614780 /nfs/dbraw/zinc/61/47/80/1429614780.db2.gz ONYVTAHKYPKJAE-UOMAQRANSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC001733412709 1429614781 /nfs/dbraw/zinc/61/47/81/1429614781.db2.gz ONYVTAHKYPKJAE-UOMAQRANSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]CC2CCCCCC2)C1 ZINC001733440124 1429647277 /nfs/dbraw/zinc/64/72/77/1429647277.db2.gz CDSXJJJEJHPUCT-FQEVSTJZSA-N 2 1 337.552 3.127 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001724843680 1425193295 /nfs/dbraw/zinc/19/32/95/1425193295.db2.gz NQTVYWNPTYCCNR-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)[C@@H](C)c1ccccc1 ZINC001724853024 1425219218 /nfs/dbraw/zinc/21/92/18/1425219218.db2.gz SMYQGRCPOKFABY-ICSRJNTNSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001724853024 1425219221 /nfs/dbraw/zinc/21/92/21/1425219221.db2.gz SMYQGRCPOKFABY-ICSRJNTNSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001724853024 1425219224 /nfs/dbraw/zinc/21/92/24/1425219224.db2.gz SMYQGRCPOKFABY-ICSRJNTNSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cccc(F)c2)[C@H](C)C1 ZINC001725003285 1425414542 /nfs/dbraw/zinc/41/45/42/1425414542.db2.gz PAAYZIQBPZCFSV-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2)[C@H](C)C1 ZINC001725003285 1425414545 /nfs/dbraw/zinc/41/45/45/1425414545.db2.gz PAAYZIQBPZCFSV-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2)[C@H](C)C1 ZINC001725003285 1425414547 /nfs/dbraw/zinc/41/45/47/1425414547.db2.gz PAAYZIQBPZCFSV-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP Cc1c(C(=O)NC[C@H](C)[N@@H+](C)CCC2CCCC2)ccc2c[nH+]cn21 ZINC001725170301 1425677059 /nfs/dbraw/zinc/67/70/59/1425677059.db2.gz DOZXVFCGGDFYSR-HNNXBMFYSA-N 2 1 342.487 3.273 20 0 EGADMP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[N@@H+](C)Cc1ccc(F)cc1 ZINC001725193207 1425741699 /nfs/dbraw/zinc/74/16/99/1425741699.db2.gz FDZIAXHKKZPHBV-QGZVFWFLSA-N 2 1 349.494 3.028 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCCCC[N@H+]2CC2CCCCC2)CC1 ZINC001725242529 1425851004 /nfs/dbraw/zinc/85/10/04/1425851004.db2.gz OYJLHUCUEKUEBP-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C[C@@H](C)[NH2+]CCC1CCCC1 ZINC001725511561 1426199758 /nfs/dbraw/zinc/19/97/58/1426199758.db2.gz NVHKJDSIMDZDIN-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP C[C@@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001725561233 1426224665 /nfs/dbraw/zinc/22/46/65/1426224665.db2.gz AJZPUBCBNNKRAH-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@H+]1CCCC(C)(C)C ZINC001725618247 1426281571 /nfs/dbraw/zinc/28/15/71/1426281571.db2.gz DZCNELIPEDTEMG-WMZOPIPTSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCC[NH+]1CCCC(C)(C)C ZINC001725618247 1426281575 /nfs/dbraw/zinc/28/15/75/1426281575.db2.gz DZCNELIPEDTEMG-WMZOPIPTSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCC[NH+]1CCCC(C)(C)C ZINC001725618247 1426281577 /nfs/dbraw/zinc/28/15/77/1426281577.db2.gz DZCNELIPEDTEMG-WMZOPIPTSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001725669530 1426353554 /nfs/dbraw/zinc/35/35/54/1426353554.db2.gz XTDHAWHEPHDNSW-RTBURBONSA-N 2 1 337.552 3.173 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)C1)CC(C)(C)C ZINC001731354356 1427293859 /nfs/dbraw/zinc/29/38/59/1427293859.db2.gz QJCVKOKKSQKVAB-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1)CC(C)(C)C ZINC001731354356 1427293856 /nfs/dbraw/zinc/29/38/56/1427293856.db2.gz QJCVKOKKSQKVAB-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)C1)CC(C)(C)C ZINC001731354356 1427293862 /nfs/dbraw/zinc/29/38/62/1427293862.db2.gz QJCVKOKKSQKVAB-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001731364493 1427297579 /nfs/dbraw/zinc/29/75/79/1427297579.db2.gz RFENCGGQSPQGGH-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001731461449 1427437294 /nfs/dbraw/zinc/43/72/94/1427437294.db2.gz PYNWTVNCYSDUHJ-VBSBHUPXSA-N 2 1 345.531 3.208 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001731546251 1427562748 /nfs/dbraw/zinc/56/27/48/1427562748.db2.gz GZOHWMHMDQJLAP-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001731553652 1427577707 /nfs/dbraw/zinc/57/77/07/1427577707.db2.gz IEJIKEOYWMKIOE-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](NC(=O)C[NH+](C)C1CCC1)[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001731553652 1427577711 /nfs/dbraw/zinc/57/77/11/1427577711.db2.gz IEJIKEOYWMKIOE-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001731719462 1427786647 /nfs/dbraw/zinc/78/66/47/1427786647.db2.gz GVZNFHCNGFLVDV-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001731719462 1427786649 /nfs/dbraw/zinc/78/66/49/1427786649.db2.gz GVZNFHCNGFLVDV-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001731719462 1427786651 /nfs/dbraw/zinc/78/66/51/1427786651.db2.gz GVZNFHCNGFLVDV-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001731811944 1427995333 /nfs/dbraw/zinc/99/53/33/1427995333.db2.gz ZFJVHPOASPFLCD-APWZRJJASA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](CC)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001731811944 1427995337 /nfs/dbraw/zinc/99/53/37/1427995337.db2.gz ZFJVHPOASPFLCD-APWZRJJASA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](CC)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001731811944 1427995340 /nfs/dbraw/zinc/99/53/40/1427995340.db2.gz ZFJVHPOASPFLCD-APWZRJJASA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)[C@H](C)c1ccccc1 ZINC001731873535 1428133873 /nfs/dbraw/zinc/13/38/73/1428133873.db2.gz LEJSZTBPUGDJGW-QUCCMNQESA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)[C@H](C)c1ccccc1 ZINC001731873535 1428133875 /nfs/dbraw/zinc/13/38/75/1428133875.db2.gz LEJSZTBPUGDJGW-QUCCMNQESA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)[C@H](C)c1ccccc1 ZINC001731873535 1428133879 /nfs/dbraw/zinc/13/38/79/1428133879.db2.gz LEJSZTBPUGDJGW-QUCCMNQESA-N 2 1 345.531 3.450 20 0 EGADMP O=C(NCC[N@@H+](CCC1CC1)C1CC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001731880790 1428151194 /nfs/dbraw/zinc/15/11/94/1428151194.db2.gz USQIVVUJVVDGDM-FQEVSTJZSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NCC[NH+](CCC1CC1)C1CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001731880790 1428151202 /nfs/dbraw/zinc/15/12/02/1428151202.db2.gz USQIVVUJVVDGDM-FQEVSTJZSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NCC[NH+](CCC1CC1)C1CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001731880790 1428151207 /nfs/dbraw/zinc/15/12/07/1428151207.db2.gz USQIVVUJVVDGDM-FQEVSTJZSA-N 2 1 347.547 3.164 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC)c1ccccc1 ZINC001733711024 1429927237 /nfs/dbraw/zinc/92/72/37/1429927237.db2.gz YXJZOQXQIWDMIU-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1CCC1CCCC1 ZINC001733899308 1437717367 /nfs/dbraw/zinc/71/73/67/1437717367.db2.gz GWPBSJSPQCOOMD-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CN(C(=O)C[N@@H+](C)C1CCC1)C1CCC([NH2+]Cc2ccccc2)CC1 ZINC001734010403 1437802048 /nfs/dbraw/zinc/80/20/48/1437802048.db2.gz AHOZLCHRSKQYCC-UHFFFAOYSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001734128680 1437906264 /nfs/dbraw/zinc/90/62/64/1437906264.db2.gz NTZRKKPEWMUMAH-CVEARBPZSA-N 2 1 349.494 3.055 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)[C@H]1C ZINC001734401750 1438083113 /nfs/dbraw/zinc/08/31/13/1438083113.db2.gz YCZUJYVMSKPNGD-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP C[N@@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)CCCC1CCCC1 ZINC001751998155 1440131770 /nfs/dbraw/zinc/13/17/70/1440131770.db2.gz RZCDAGNUYWLTBN-UHFFFAOYSA-N 2 1 349.563 3.271 20 0 EGADMP C[NH+](C)CC1(C(=O)NCCC[N@@H+](C)CC2=CCCCC2)CCCCC1 ZINC001752030233 1440133915 /nfs/dbraw/zinc/13/39/15/1440133915.db2.gz KQEXBXHXIPBTSY-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)CCCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001752038475 1440134676 /nfs/dbraw/zinc/13/46/76/1440134676.db2.gz GXGULLSNYXNGEN-GOSISDBHSA-N 2 1 345.531 3.369 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001752159338 1440148479 /nfs/dbraw/zinc/14/84/79/1440148479.db2.gz PKRXVCDHCNADIV-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CC1CCC1 ZINC001752205377 1440154036 /nfs/dbraw/zinc/15/40/36/1440154036.db2.gz FAJDZDBBMBMAOP-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)CC1CCC1 ZINC001752205377 1440154037 /nfs/dbraw/zinc/15/40/37/1440154037.db2.gz FAJDZDBBMBMAOP-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)CC1CCC1 ZINC001752205377 1440154038 /nfs/dbraw/zinc/15/40/38/1440154038.db2.gz FAJDZDBBMBMAOP-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001752309199 1440169312 /nfs/dbraw/zinc/16/93/12/1440169312.db2.gz XGJDXHCHRHJOGH-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001752309722 1440169722 /nfs/dbraw/zinc/16/97/22/1440169722.db2.gz FANQQOOGRHTZKA-UHFFFAOYSA-N 2 1 325.541 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001752470543 1440184300 /nfs/dbraw/zinc/18/43/00/1440184300.db2.gz HCBCIRHNGGJXEK-OALUTQOASA-N 2 1 349.563 3.027 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]([NH2+]CC1CCCCC1)C1CC1)CC(C)(C)C ZINC001752483735 1440186077 /nfs/dbraw/zinc/18/60/77/1440186077.db2.gz AASWZEAKDQIYCB-SFHVURJKSA-N 2 1 337.552 3.029 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001752698240 1440201308 /nfs/dbraw/zinc/20/13/08/1440201308.db2.gz DWSOYXGPPYBBSB-IHWFROFDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001752698240 1440201309 /nfs/dbraw/zinc/20/13/09/1440201309.db2.gz DWSOYXGPPYBBSB-IHWFROFDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001752698240 1440201310 /nfs/dbraw/zinc/20/13/10/1440201310.db2.gz DWSOYXGPPYBBSB-IHWFROFDSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CCC2)C1)[NH+]1CCCCC1 ZINC001752790120 1440213618 /nfs/dbraw/zinc/21/36/18/1440213618.db2.gz SFKOORVXXFJJHK-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001752820215 1440220038 /nfs/dbraw/zinc/22/00/38/1440220038.db2.gz CQWYWEJGVKUSBU-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001752820215 1440220039 /nfs/dbraw/zinc/22/00/39/1440220039.db2.gz CQWYWEJGVKUSBU-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCCC[N@H+]1CC1CC(C)(C)C1 ZINC001752820215 1440220040 /nfs/dbraw/zinc/22/00/40/1440220040.db2.gz CQWYWEJGVKUSBU-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+]1CC(C)C ZINC001752834447 1440226967 /nfs/dbraw/zinc/22/69/67/1440226967.db2.gz SDHZKQLKLPTTCK-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(C)C ZINC001752834447 1440226968 /nfs/dbraw/zinc/22/69/68/1440226968.db2.gz SDHZKQLKLPTTCK-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+]1CC(C)C ZINC001752834447 1440226969 /nfs/dbraw/zinc/22/69/69/1440226969.db2.gz SDHZKQLKLPTTCK-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001752836913 1440228346 /nfs/dbraw/zinc/22/83/46/1440228346.db2.gz PYXOMBOHDCLGLK-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccc(C)c(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001752884861 1440239739 /nfs/dbraw/zinc/23/97/39/1440239739.db2.gz HMWNCNTUIDAFDK-UYAOXDASSA-N 2 1 345.531 3.018 20 0 EGADMP C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH2+]Cc1cccc(F)c1 ZINC001752889843 1440240682 /nfs/dbraw/zinc/24/06/82/1440240682.db2.gz BCVKMNOQUZYSNT-INIZCTEOSA-N 2 1 349.494 3.075 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001752902453 1440243218 /nfs/dbraw/zinc/24/32/18/1440243218.db2.gz BVOPMDWVFNVFAE-LPHOPBHVSA-N 2 1 349.494 3.013 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001752902454 1440243319 /nfs/dbraw/zinc/24/33/19/1440243319.db2.gz BVOPMDWVFNVFAE-QFBILLFUSA-N 2 1 349.494 3.013 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001752995233 1440261619 /nfs/dbraw/zinc/26/16/19/1440261619.db2.gz QRBAQZUIMQGORI-RZZOZFHJSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001752995233 1440261620 /nfs/dbraw/zinc/26/16/20/1440261620.db2.gz QRBAQZUIMQGORI-RZZOZFHJSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C\CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001752995233 1440261621 /nfs/dbraw/zinc/26/16/21/1440261621.db2.gz QRBAQZUIMQGORI-RZZOZFHJSA-N 2 1 349.563 3.386 20 0 EGADMP CC/C=C/CC[N@H+](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001752998183 1440263219 /nfs/dbraw/zinc/26/32/19/1440263219.db2.gz AELVKEFQXNDNER-UEKDZROGSA-N 2 1 346.519 3.251 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001752998183 1440263220 /nfs/dbraw/zinc/26/32/20/1440263220.db2.gz AELVKEFQXNDNER-UEKDZROGSA-N 2 1 346.519 3.251 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001753020310 1440269725 /nfs/dbraw/zinc/26/97/25/1440269725.db2.gz JLJXBYSFECYKLC-QUCCMNQESA-N 2 1 345.531 3.162 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001753029895 1440272551 /nfs/dbraw/zinc/27/25/51/1440272551.db2.gz LRQZKPHTHHKYKM-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001753029895 1440272552 /nfs/dbraw/zinc/27/25/52/1440272552.db2.gz LRQZKPHTHHKYKM-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC001753029895 1440272553 /nfs/dbraw/zinc/27/25/53/1440272553.db2.gz LRQZKPHTHHKYKM-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001753049683 1440278824 /nfs/dbraw/zinc/27/88/24/1440278824.db2.gz MTIUJDUHAOSLLD-IBGZPJMESA-N 2 1 345.531 3.450 20 0 EGADMP C[N@@H+](CCC(=O)NC[C@H]1CCC[NH+]1CC1CCCC1)C1CCCCC1 ZINC001753107359 1440306822 /nfs/dbraw/zinc/30/68/22/1440306822.db2.gz DMDVXDQFMROPRA-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1)C1CCCCC1 ZINC001753107359 1440306823 /nfs/dbraw/zinc/30/68/23/1440306823.db2.gz DMDVXDQFMROPRA-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1)C1CCCCC1 ZINC001753107359 1440306824 /nfs/dbraw/zinc/30/68/24/1440306824.db2.gz DMDVXDQFMROPRA-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC[NH+]2CCC2CCCCCC2)C1 ZINC001753111322 1440308447 /nfs/dbraw/zinc/30/84/47/1440308447.db2.gz GKWOCSRTTUEYTC-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2CCC2CCCCCC2)C1 ZINC001753111322 1440308448 /nfs/dbraw/zinc/30/84/48/1440308448.db2.gz GKWOCSRTTUEYTC-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+]2CCC2CCCCCC2)C1 ZINC001753111322 1440308449 /nfs/dbraw/zinc/30/84/49/1440308449.db2.gz GKWOCSRTTUEYTC-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001753112879 1440309522 /nfs/dbraw/zinc/30/95/22/1440309522.db2.gz IFXNKTVPZMUUKE-ASIGSXEYSA-N 2 1 335.536 3.186 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001753112879 1440309523 /nfs/dbraw/zinc/30/95/23/1440309523.db2.gz IFXNKTVPZMUUKE-ASIGSXEYSA-N 2 1 335.536 3.186 20 0 EGADMP CC/C=C/CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001753112879 1440309524 /nfs/dbraw/zinc/30/95/24/1440309524.db2.gz IFXNKTVPZMUUKE-ASIGSXEYSA-N 2 1 335.536 3.186 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@H](C)c1cccc(C)c1 ZINC001753115616 1440311094 /nfs/dbraw/zinc/31/10/94/1440311094.db2.gz GESOTHJSEWPUEI-QUCCMNQESA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)c1cccc(C)c1 ZINC001753115616 1440311095 /nfs/dbraw/zinc/31/10/95/1440311095.db2.gz GESOTHJSEWPUEI-QUCCMNQESA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)c1cccc(C)c1 ZINC001753115616 1440311096 /nfs/dbraw/zinc/31/10/96/1440311096.db2.gz GESOTHJSEWPUEI-QUCCMNQESA-N 2 1 345.531 3.369 20 0 EGADMP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001753135019 1440318563 /nfs/dbraw/zinc/31/85/63/1440318563.db2.gz HAWQRPWSKZAEDE-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)CC[NH2+]CC[C@@H]1CCC[C@H](C)C1 ZINC001753236639 1440341663 /nfs/dbraw/zinc/34/16/63/1440341663.db2.gz BJHPSVGEQZIZQS-ROUUACIJSA-N 2 1 348.535 3.271 20 0 EGADMP CCC(CC)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001753300736 1440353852 /nfs/dbraw/zinc/35/38/52/1440353852.db2.gz ZJOBSWXSPBODAG-WOJBJXKFSA-N 2 1 345.531 3.354 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001753357970 1440381208 /nfs/dbraw/zinc/38/12/08/1440381208.db2.gz IUFZHLCQAAHCNT-DLBZAZTESA-N 2 1 349.494 3.009 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001753357970 1440381209 /nfs/dbraw/zinc/38/12/09/1440381209.db2.gz IUFZHLCQAAHCNT-DLBZAZTESA-N 2 1 349.494 3.009 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001753357970 1440381210 /nfs/dbraw/zinc/38/12/10/1440381210.db2.gz IUFZHLCQAAHCNT-DLBZAZTESA-N 2 1 349.494 3.009 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001753360358 1440382304 /nfs/dbraw/zinc/38/23/04/1440382304.db2.gz SNQKELPWQQBTPB-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)CCC[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001753384861 1440388148 /nfs/dbraw/zinc/38/81/48/1440388148.db2.gz BPJGGKAANBJAFJ-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CCC[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001753384861 1440388149 /nfs/dbraw/zinc/38/81/49/1440388149.db2.gz BPJGGKAANBJAFJ-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCC(C)(C)C)CC1 ZINC001753426282 1440396962 /nfs/dbraw/zinc/39/69/62/1440396962.db2.gz UBDJEQPHHRSSCJ-OALUTQOASA-N 2 1 349.563 3.218 20 0 EGADMP CC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001753436198 1440400122 /nfs/dbraw/zinc/40/01/22/1440400122.db2.gz GTUPUUHRDZCRGN-LXXRFIIISA-N 2 1 349.544 3.312 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001753436198 1440400123 /nfs/dbraw/zinc/40/01/23/1440400123.db2.gz GTUPUUHRDZCRGN-LXXRFIIISA-N 2 1 349.544 3.312 20 0 EGADMP CN(C(=O)CC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001753450364 1440405723 /nfs/dbraw/zinc/40/57/23/1440405723.db2.gz PZZKYUPDDLAWDW-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CCN(C(=O)Cn1cc[nH+]c1C(C)C)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001753459911 1440410062 /nfs/dbraw/zinc/41/00/62/1440410062.db2.gz VBSUEGMKUQSCIN-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CCN(C(=O)Cn1cc[nH+]c1C(C)C)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001753459911 1440410063 /nfs/dbraw/zinc/41/00/63/1440410063.db2.gz VBSUEGMKUQSCIN-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001753460441 1440410101 /nfs/dbraw/zinc/41/01/01/1440410101.db2.gz YFSYDARPOZKRMH-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCC(CC)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001753550532 1440434950 /nfs/dbraw/zinc/43/49/50/1440434950.db2.gz SMROEFVPPCMPJQ-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC=C(C)C)CC1 ZINC001753594530 1440444186 /nfs/dbraw/zinc/44/41/86/1440444186.db2.gz DMNDWYPIUNMWBZ-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP C[C@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001753694684 1440467228 /nfs/dbraw/zinc/46/72/28/1440467228.db2.gz DTLCDZDEWABOMK-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001753695834 1440467531 /nfs/dbraw/zinc/46/75/31/1440467531.db2.gz ZBWHIHYUMIQXKP-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[C@@H](C[NH2+][C@H]1CCc2ccccc21)NC(=O)C[N@@H+](C)C(C)C ZINC001753743927 1440480245 /nfs/dbraw/zinc/48/02/45/1440480245.db2.gz XMLWJSUJUUJXCO-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001753749760 1440482113 /nfs/dbraw/zinc/48/21/13/1440482113.db2.gz PYAJZCIHVIMWJE-RBUKOAKNSA-N 2 1 337.552 3.029 20 0 EGADMP CC/C=C/CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001753776363 1440486436 /nfs/dbraw/zinc/48/64/36/1440486436.db2.gz DGXJOQARPDPSGQ-VMASUYHGSA-N 2 1 349.563 3.434 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccc1 ZINC001753784658 1440487844 /nfs/dbraw/zinc/48/78/44/1440487844.db2.gz QFZOIKWMOPKUAL-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CCCCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001753820042 1440495545 /nfs/dbraw/zinc/49/55/45/1440495545.db2.gz MURQASATYYTQDU-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001753820042 1440495546 /nfs/dbraw/zinc/49/55/46/1440495546.db2.gz MURQASATYYTQDU-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001753820042 1440495547 /nfs/dbraw/zinc/49/55/47/1440495547.db2.gz MURQASATYYTQDU-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001753866916 1440515118 /nfs/dbraw/zinc/51/51/18/1440515118.db2.gz WTSYJEIIBRUCJO-QGZVFWFLSA-N 2 1 349.494 3.009 20 0 EGADMP C[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC2CCC(C)(C)CC2)C1 ZINC001753875915 1440519349 /nfs/dbraw/zinc/51/93/49/1440519349.db2.gz OOYUPBNXMBPZDY-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001754247620 1440557206 /nfs/dbraw/zinc/55/72/06/1440557206.db2.gz AHZHMCWTSHRGEZ-CQSZACIVSA-N 2 1 347.547 3.165 20 0 EGADMP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)cs1 ZINC001754379831 1440593145 /nfs/dbraw/zinc/59/31/45/1440593145.db2.gz GWZUZAVTNYLSKD-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP CCCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1CC ZINC001754471200 1440605425 /nfs/dbraw/zinc/60/54/25/1440605425.db2.gz WOWVHXPOXHRWNS-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001754502112 1440614916 /nfs/dbraw/zinc/61/49/16/1440614916.db2.gz OUVQSHKFCYESLE-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001754544283 1440626875 /nfs/dbraw/zinc/62/68/75/1440626875.db2.gz NXBMMFCLUGCOJT-QRVBRYPASA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001754578514 1440638211 /nfs/dbraw/zinc/63/82/11/1440638211.db2.gz KHLMMHYRYXSHFA-ICSRJNTNSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001754578514 1440638212 /nfs/dbraw/zinc/63/82/12/1440638212.db2.gz KHLMMHYRYXSHFA-ICSRJNTNSA-N 2 1 343.515 3.155 20 0 EGADMP CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001754598183 1440641890 /nfs/dbraw/zinc/64/18/90/1440641890.db2.gz RPHQUYKUYOTKPN-QZTJIDSGSA-N 2 1 337.552 3.410 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001754598648 1440641957 /nfs/dbraw/zinc/64/19/57/1440641957.db2.gz KHWPRCSPSXDLEG-SJORKVTESA-N 2 1 339.568 3.370 20 0 EGADMP CCC[NH2+]C[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1CCCC1 ZINC001754651728 1440652162 /nfs/dbraw/zinc/65/21/62/1440652162.db2.gz SWGKDTGXBRJUCS-SFHVURJKSA-N 2 1 337.552 3.314 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001754673526 1440659080 /nfs/dbraw/zinc/65/90/80/1440659080.db2.gz BUSVQWXAMWWOLI-MMFUBXAXSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001754673526 1440659081 /nfs/dbraw/zinc/65/90/81/1440659081.db2.gz BUSVQWXAMWWOLI-MMFUBXAXSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001754673526 1440659082 /nfs/dbraw/zinc/65/90/82/1440659082.db2.gz BUSVQWXAMWWOLI-MMFUBXAXSA-N 2 1 335.536 3.044 20 0 EGADMP C[N@@H+](CC(=O)N[C@@]1(C)CC[NH+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001754675543 1440659685 /nfs/dbraw/zinc/65/96/85/1440659685.db2.gz RCJGVJCYRNETNI-NRFANRHFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)N[C@@]1(C)CC[N@H+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001754675543 1440659686 /nfs/dbraw/zinc/65/96/86/1440659686.db2.gz RCJGVJCYRNETNI-NRFANRHFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](CC(=O)N[C@@]1(C)CC[N@@H+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001754675543 1440659687 /nfs/dbraw/zinc/65/96/87/1440659687.db2.gz RCJGVJCYRNETNI-NRFANRHFSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001754696042 1440667030 /nfs/dbraw/zinc/66/70/30/1440667030.db2.gz VRNWQWIXPPXVFL-RXVVDRJESA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCC2(C)CC[NH+](CC3CCCC3)CC2)CC[N@H+]1C ZINC001754716730 1440671847 /nfs/dbraw/zinc/67/18/47/1440671847.db2.gz WZKGTFARPOOECI-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC[C@]1(C)CCC[NH+](CCC2CCCC2)C1 ZINC001754734877 1440681810 /nfs/dbraw/zinc/68/18/10/1440681810.db2.gz ZLFXUKPCUJGSTL-FQEVSTJZSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@]1(C)CCC[N@H+](CCC2CCCC2)C1 ZINC001754734877 1440681811 /nfs/dbraw/zinc/68/18/11/1440681811.db2.gz ZLFXUKPCUJGSTL-FQEVSTJZSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@]1(C)CCC[N@@H+](CCC2CCCC2)C1 ZINC001754734877 1440681812 /nfs/dbraw/zinc/68/18/12/1440681812.db2.gz ZLFXUKPCUJGSTL-FQEVSTJZSA-N 2 1 337.552 3.125 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CC1)C2 ZINC001754783147 1440686864 /nfs/dbraw/zinc/68/68/64/1440686864.db2.gz JCYHMCZOFKZVDF-ZCNNSNEGSA-N 2 1 347.547 3.022 20 0 EGADMP CCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001754833260 1440696186 /nfs/dbraw/zinc/69/61/86/1440696186.db2.gz QUWZWXWBVJNQIH-IYWMVGAKSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001754833260 1440696187 /nfs/dbraw/zinc/69/61/87/1440696187.db2.gz QUWZWXWBVJNQIH-IYWMVGAKSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001754833260 1440696188 /nfs/dbraw/zinc/69/61/88/1440696188.db2.gz QUWZWXWBVJNQIH-IYWMVGAKSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](CC[NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001754940849 1440711851 /nfs/dbraw/zinc/71/18/51/1440711851.db2.gz XVKAZKWDPJIBKK-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001754951431 1440715032 /nfs/dbraw/zinc/71/50/32/1440715032.db2.gz SYZDPGQJCHWWQW-JXFKEZNVSA-N 2 1 345.531 3.341 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCC1 ZINC001754993077 1440725174 /nfs/dbraw/zinc/72/51/74/1440725174.db2.gz CAGBYUUKUCPQMS-SFHVURJKSA-N 2 1 335.536 3.070 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001755027518 1440729595 /nfs/dbraw/zinc/72/95/95/1440729595.db2.gz BBHRDNCFKWXYSV-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001755038198 1440735758 /nfs/dbraw/zinc/73/57/58/1440735758.db2.gz PYYQXHWJZPYNHT-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001755038198 1440735759 /nfs/dbraw/zinc/73/57/59/1440735759.db2.gz PYYQXHWJZPYNHT-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001755038198 1440735760 /nfs/dbraw/zinc/73/57/60/1440735760.db2.gz PYYQXHWJZPYNHT-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1CC[N@H+](CC2CC2)CC1(C)C ZINC001755139119 1440759602 /nfs/dbraw/zinc/75/96/02/1440759602.db2.gz UGQPGHDDASBPNT-DOTOQJQBSA-N 2 1 346.519 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC1(C)C ZINC001755139119 1440759603 /nfs/dbraw/zinc/75/96/03/1440759603.db2.gz UGQPGHDDASBPNT-DOTOQJQBSA-N 2 1 346.519 3.023 20 0 EGADMP CC[N@@H+](CCC(C)C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001755183187 1440771845 /nfs/dbraw/zinc/77/18/45/1440771845.db2.gz COOVCEPIEQVTPO-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](CCC(C)C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001755183187 1440771846 /nfs/dbraw/zinc/77/18/46/1440771846.db2.gz COOVCEPIEQVTPO-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](CCC(C)C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001755183187 1440771847 /nfs/dbraw/zinc/77/18/47/1440771847.db2.gz COOVCEPIEQVTPO-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCCC2CCCC2)CCC1 ZINC001755195737 1440776720 /nfs/dbraw/zinc/77/67/20/1440776720.db2.gz XGOYBTRONCQRIG-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001755208839 1440782679 /nfs/dbraw/zinc/78/26/79/1440782679.db2.gz BWXFRKBBOBBMFY-FQEVSTJZSA-N 2 1 345.531 3.331 20 0 EGADMP CC(C)CCC[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001755275818 1440799012 /nfs/dbraw/zinc/79/90/12/1440799012.db2.gz IJRKRWBPFNPKQC-VIQWUECVSA-N 2 1 337.552 3.124 20 0 EGADMP CN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CCC([NH2+]CC2CC2)CC1 ZINC001755278761 1440800024 /nfs/dbraw/zinc/80/00/24/1440800024.db2.gz PRGWYNOLQHJPKF-SOAGJPPSSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)Cc1ccccc1F ZINC001755318388 1440817073 /nfs/dbraw/zinc/81/70/73/1440817073.db2.gz BFXPJVWYXOMQMT-SJORKVTESA-N 2 1 349.494 3.027 20 0 EGADMP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@@H+](C)Cc1ccccc1F ZINC001755318388 1440817074 /nfs/dbraw/zinc/81/70/74/1440817074.db2.gz BFXPJVWYXOMQMT-SJORKVTESA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001755323978 1440820213 /nfs/dbraw/zinc/82/02/13/1440820213.db2.gz YKPWIRXTVNCEIP-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001755323978 1440820214 /nfs/dbraw/zinc/82/02/14/1440820214.db2.gz YKPWIRXTVNCEIP-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001755323978 1440820215 /nfs/dbraw/zinc/82/02/15/1440820215.db2.gz YKPWIRXTVNCEIP-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]CCCCCF)CCCCC1 ZINC001755353612 1440828741 /nfs/dbraw/zinc/82/87/41/1440828741.db2.gz RALTVUUIXTXVHB-KRWDZBQOSA-N 2 1 341.515 3.019 20 0 EGADMP CC(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001755367025 1440835045 /nfs/dbraw/zinc/83/50/45/1440835045.db2.gz BBXOPXVAJABKHU-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP O=C(C[NH+]1CCCC1)NC[C@H]1CCCCC[N@H+]1CCC1=CCCCC1 ZINC001755368674 1440836412 /nfs/dbraw/zinc/83/64/12/1440836412.db2.gz VBDVUQPZLZJXPP-HXUWFJFHSA-N 2 1 347.547 3.334 20 0 EGADMP CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001755379970 1440839206 /nfs/dbraw/zinc/83/92/06/1440839206.db2.gz WRHCVDPLXHAJLY-FXAWDEMLSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC001755411160 1440846228 /nfs/dbraw/zinc/84/62/28/1440846228.db2.gz HXYZDFLYWNGQQU-KRWDZBQOSA-N 2 1 348.535 3.413 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC001755411160 1440846229 /nfs/dbraw/zinc/84/62/29/1440846229.db2.gz HXYZDFLYWNGQQU-KRWDZBQOSA-N 2 1 348.535 3.413 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001755480930 1440860142 /nfs/dbraw/zinc/86/01/42/1440860142.db2.gz ROMKBACYSDIPSM-QXIUMYAXSA-N 2 1 347.547 3.234 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccccc1F ZINC001755527186 1440866094 /nfs/dbraw/zinc/86/60/94/1440866094.db2.gz XIMPTUGBXOURBP-APWZRJJASA-N 2 1 349.494 3.075 20 0 EGADMP CC(C)C[NH2+]CCC[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001755546637 1440870732 /nfs/dbraw/zinc/87/07/32/1440870732.db2.gz DZEIPRMTFKIPHD-VQTJNVASSA-N 2 1 345.531 3.354 20 0 EGADMP Cc1cc(C)c(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)c(C)c1 ZINC001755692310 1440896975 /nfs/dbraw/zinc/89/69/75/1440896975.db2.gz JKKBPEHORVVTCU-RTBURBONSA-N 2 1 345.531 3.031 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CC1CC3(CCC3)C1)CC2 ZINC001755704394 1440901869 /nfs/dbraw/zinc/90/18/69/1440901869.db2.gz LCBWVTQLGJOXBP-WIYYLYMNSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@]12CCC[C@H]1[N@H+](CC1CC3(CCC3)C1)CC2 ZINC001755704394 1440901870 /nfs/dbraw/zinc/90/18/70/1440901870.db2.gz LCBWVTQLGJOXBP-WIYYLYMNSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC1CC3(CCC3)C1)CC2 ZINC001755704394 1440901871 /nfs/dbraw/zinc/90/18/71/1440901871.db2.gz LCBWVTQLGJOXBP-WIYYLYMNSA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCCCC3)[C@H]2C1 ZINC001755707940 1440903033 /nfs/dbraw/zinc/90/30/33/1440903033.db2.gz KNTCNLGEZWIQNC-UFYCRDLUSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CCC[N@H+]1CC1CC1 ZINC001755716908 1440905427 /nfs/dbraw/zinc/90/54/27/1440905427.db2.gz POKYVJNMSGYKOE-MAUKXSAKSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCC[NH+]1CC1CC1 ZINC001755716908 1440905428 /nfs/dbraw/zinc/90/54/28/1440905428.db2.gz POKYVJNMSGYKOE-MAUKXSAKSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCC[NH+]1CC1CC1 ZINC001755716908 1440905429 /nfs/dbraw/zinc/90/54/29/1440905429.db2.gz POKYVJNMSGYKOE-MAUKXSAKSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](C/C=C/c2ccccc2)[C@H]1C ZINC001755722030 1440908046 /nfs/dbraw/zinc/90/80/46/1440908046.db2.gz DTYABLGVSFPGMT-KOXHKMTQSA-N 2 1 343.515 3.009 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)[C@H]1C ZINC001755722030 1440908047 /nfs/dbraw/zinc/90/80/47/1440908047.db2.gz DTYABLGVSFPGMT-KOXHKMTQSA-N 2 1 343.515 3.009 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)[C@H]1C ZINC001755722030 1440908048 /nfs/dbraw/zinc/90/80/48/1440908048.db2.gz DTYABLGVSFPGMT-KOXHKMTQSA-N 2 1 343.515 3.009 20 0 EGADMP CC(C)CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC001755756836 1440914162 /nfs/dbraw/zinc/91/41/62/1440914162.db2.gz HDDHCBOJKUORDR-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP Cc1ccc(C[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C)c(C)c1 ZINC001755839125 1440930999 /nfs/dbraw/zinc/93/09/99/1440930999.db2.gz JDXXOTNBYPURRL-LJQANCHMSA-N 2 1 347.547 3.264 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001755846139 1440933404 /nfs/dbraw/zinc/93/34/04/1440933404.db2.gz NTYBPITVAXMGGW-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001755890190 1440941149 /nfs/dbraw/zinc/94/11/49/1440941149.db2.gz BPAXYOYEAVRSEC-GOSISDBHSA-N 2 1 349.563 3.435 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001755890190 1440941150 /nfs/dbraw/zinc/94/11/50/1440941150.db2.gz BPAXYOYEAVRSEC-GOSISDBHSA-N 2 1 349.563 3.435 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001755890190 1440941151 /nfs/dbraw/zinc/94/11/51/1440941151.db2.gz BPAXYOYEAVRSEC-GOSISDBHSA-N 2 1 349.563 3.435 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001755893296 1440942062 /nfs/dbraw/zinc/94/20/62/1440942062.db2.gz OVDBXPMIQSDEGY-HXUWFJFHSA-N 2 1 343.515 3.228 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001755893295 1440942097 /nfs/dbraw/zinc/94/20/97/1440942097.db2.gz OVDBXPMIQSDEGY-FQEVSTJZSA-N 2 1 343.515 3.228 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC1=CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001755899417 1440943452 /nfs/dbraw/zinc/94/34/52/1440943452.db2.gz OEMWAKWEVPIJHQ-UHFFFAOYSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC1=CC[N@H+](CC2CCC3(CC3)CC2)CC1 ZINC001755899417 1440943453 /nfs/dbraw/zinc/94/34/53/1440943453.db2.gz OEMWAKWEVPIJHQ-UHFFFAOYSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC1=CC[N@@H+](CC2CCC3(CC3)CC2)CC1 ZINC001755899417 1440943454 /nfs/dbraw/zinc/94/34/54/1440943454.db2.gz OEMWAKWEVPIJHQ-UHFFFAOYSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC1=CC[N@H+](CCCC2CCC2)CC1 ZINC001755900182 1440943757 /nfs/dbraw/zinc/94/37/57/1440943757.db2.gz WXBYYNFHDIXSPF-HDICACEKSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001755900182 1440943758 /nfs/dbraw/zinc/94/37/58/1440943758.db2.gz WXBYYNFHDIXSPF-HDICACEKSA-N 2 1 347.547 3.188 20 0 EGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(C[NH+](C)C)CC2)nc1 ZINC001165041924 721951029 /nfs/dbraw/zinc/95/10/29/721951029.db2.gz CCCDLELDWDRWDW-IBGZPJMESA-N 2 1 330.520 3.407 20 0 EGADMP CC[NH2+]CC1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000053658852 214192883 /nfs/dbraw/zinc/19/28/83/214192883.db2.gz RUTKYZTYCCKHOL-UHFFFAOYSA-N 2 1 329.257 3.410 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000165881762 530001634 /nfs/dbraw/zinc/00/16/34/530001634.db2.gz PPHJCBPKHNZUQN-SFHVURJKSA-N 2 1 343.515 3.067 20 0 EGADMP Cc1cc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)n(-c2ccccc2)n1 ZINC000181531119 234220642 /nfs/dbraw/zinc/22/06/42/234220642.db2.gz BRMIUKCQXUZTBC-NXHRZFHOSA-N 2 1 326.488 3.184 20 0 EGADMP Cc1cc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)n(-c2ccccc2)n1 ZINC000181531119 234220647 /nfs/dbraw/zinc/22/06/47/234220647.db2.gz BRMIUKCQXUZTBC-NXHRZFHOSA-N 2 1 326.488 3.184 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354421498 283208563 /nfs/dbraw/zinc/20/85/63/283208563.db2.gz FZKPVUUZAQOXBQ-ZWKOTPCHSA-N 2 1 325.541 3.220 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000129151307 223027068 /nfs/dbraw/zinc/02/70/68/223027068.db2.gz MZOCSTPBGWMMPK-UEKVPHQBSA-N 2 1 329.257 3.407 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000129151307 223027070 /nfs/dbraw/zinc/02/70/70/223027070.db2.gz MZOCSTPBGWMMPK-UEKVPHQBSA-N 2 1 329.257 3.407 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000037256079 213138060 /nfs/dbraw/zinc/13/80/60/213138060.db2.gz MELZMAKJAOZDLV-LLVKDONJSA-N 2 1 344.240 3.036 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000037408285 213144908 /nfs/dbraw/zinc/14/49/08/213144908.db2.gz NPJXCJUXUXMRHA-CYBMUJFWSA-N 2 1 339.277 3.032 20 0 EGADMP Fc1cc(Br)ccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037408303 213144065 /nfs/dbraw/zinc/14/40/65/213144065.db2.gz VOQXJKSRPVVEKO-LLVKDONJSA-N 2 1 327.241 3.162 20 0 EGADMP Fc1cc(Br)ccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037408303 213144068 /nfs/dbraw/zinc/14/40/68/213144068.db2.gz VOQXJKSRPVVEKO-LLVKDONJSA-N 2 1 327.241 3.162 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000072803496 216308596 /nfs/dbraw/zinc/30/85/96/216308596.db2.gz LBCKGIXWNXHTPU-QGZVFWFLSA-N 2 1 342.487 3.333 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000072803496 216308599 /nfs/dbraw/zinc/30/85/99/216308599.db2.gz LBCKGIXWNXHTPU-QGZVFWFLSA-N 2 1 342.487 3.333 20 0 EGADMP COC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000132340339 223321959 /nfs/dbraw/zinc/32/19/59/223321959.db2.gz XEISOXKUZMCSNU-JOCHJYFZSA-N 2 1 338.495 3.498 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000236829456 242374669 /nfs/dbraw/zinc/37/46/69/242374669.db2.gz HTDNBZOLJMNYLC-KRWDZBQOSA-N 2 1 326.444 3.135 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000348383862 299393032 /nfs/dbraw/zinc/39/30/32/299393032.db2.gz UEJLTTQHSJZUAQ-NHIYQJMISA-N 2 1 334.426 3.339 20 0 EGADMP C[C@@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000262644224 245093270 /nfs/dbraw/zinc/09/32/70/245093270.db2.gz JPDLICLPMGZVGW-RMJJICAUSA-N 2 1 345.531 3.197 20 0 EGADMP COc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1Br ZINC000049554099 214019411 /nfs/dbraw/zinc/01/94/11/214019411.db2.gz PFOAXDLYJVTCPV-NWDGAFQWSA-N 2 1 329.282 3.449 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnc3ccccc3c2)[C@H](C)C1 ZINC000265149788 247249067 /nfs/dbraw/zinc/24/90/67/247249067.db2.gz AZNSRGDFZAGAGC-XLIONFOSSA-N 2 1 341.499 3.461 20 0 EGADMP CCOC(=O)CCCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266591384 248374850 /nfs/dbraw/zinc/37/48/50/248374850.db2.gz ULJANXKLFLALNQ-LJQANCHMSA-N 2 1 332.488 3.174 20 0 EGADMP CCOC(=O)CCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266591384 248374853 /nfs/dbraw/zinc/37/48/53/248374853.db2.gz ULJANXKLFLALNQ-LJQANCHMSA-N 2 1 332.488 3.174 20 0 EGADMP CCOC(=O)CCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266591384 248374855 /nfs/dbraw/zinc/37/48/55/248374855.db2.gz ULJANXKLFLALNQ-LJQANCHMSA-N 2 1 332.488 3.174 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)s1 ZINC000092752575 218163722 /nfs/dbraw/zinc/16/37/22/218163722.db2.gz PAGYGVRDYOADSX-ZDUSSCGKSA-N 2 1 336.505 3.276 20 0 EGADMP Cc1nc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)oc1C ZINC000092821261 218171436 /nfs/dbraw/zinc/17/14/36/218171436.db2.gz XJKUEGBAVFTWGI-UHFFFAOYSA-N 2 1 328.460 3.425 20 0 EGADMP Cc1nc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)oc1C ZINC000092821261 218171439 /nfs/dbraw/zinc/17/14/39/218171439.db2.gz XJKUEGBAVFTWGI-UHFFFAOYSA-N 2 1 328.460 3.425 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000093742029 218244798 /nfs/dbraw/zinc/24/47/98/218244798.db2.gz UZLXMKPFUKGDHZ-INIZCTEOSA-N 2 1 326.431 3.494 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000093742029 218244800 /nfs/dbraw/zinc/24/48/00/218244800.db2.gz UZLXMKPFUKGDHZ-INIZCTEOSA-N 2 1 326.431 3.494 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000093742029 218244801 /nfs/dbraw/zinc/24/48/01/218244801.db2.gz UZLXMKPFUKGDHZ-INIZCTEOSA-N 2 1 326.431 3.494 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000093742029 218244803 /nfs/dbraw/zinc/24/48/03/218244803.db2.gz UZLXMKPFUKGDHZ-INIZCTEOSA-N 2 1 326.431 3.494 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc(N2CCOCC2)c1 ZINC000268705060 252155717 /nfs/dbraw/zinc/15/57/17/252155717.db2.gz BLXSBJTUYXIWLK-RTBURBONSA-N 2 1 345.531 3.438 20 0 EGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000268783578 252234707 /nfs/dbraw/zinc/23/47/07/252234707.db2.gz UWLAJWZHPQLQAU-QGZVFWFLSA-N 2 1 344.503 3.380 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000268783578 252234711 /nfs/dbraw/zinc/23/47/11/252234711.db2.gz UWLAJWZHPQLQAU-QGZVFWFLSA-N 2 1 344.503 3.380 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000268846729 252293572 /nfs/dbraw/zinc/29/35/72/252293572.db2.gz JHYGKBUGQKZLLM-UHFFFAOYSA-N 2 1 346.906 3.489 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000268859647 252307810 /nfs/dbraw/zinc/30/78/10/252307810.db2.gz RTAFKUGJDIGUEX-ZDUSSCGKSA-N 2 1 346.393 3.083 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000119691061 221378156 /nfs/dbraw/zinc/37/81/56/221378156.db2.gz XYXCGXZJFPDDFE-HNNXBMFYSA-N 2 1 327.472 3.091 20 0 EGADMP Cc1ncsc1C[N@@H+](CCCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000328602510 258041071 /nfs/dbraw/zinc/04/10/71/258041071.db2.gz BWCUCZJILUQKBQ-GOSISDBHSA-N 2 1 329.513 3.496 20 0 EGADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000181410274 285361886 /nfs/dbraw/zinc/36/18/86/285361886.db2.gz GJWDZCWGXNQEIW-AABGKKOBSA-N 2 1 344.499 3.258 20 0 EGADMP COC(=O)C1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000159216142 533293662 /nfs/dbraw/zinc/29/36/62/533293662.db2.gz JFFMVICPHWDAGA-UHFFFAOYSA-N 2 1 332.488 3.030 20 0 EGADMP COC(=O)C1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000159216142 533293666 /nfs/dbraw/zinc/29/36/66/533293666.db2.gz JFFMVICPHWDAGA-UHFFFAOYSA-N 2 1 332.488 3.030 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)nc1 ZINC000181416441 533339608 /nfs/dbraw/zinc/33/96/08/533339608.db2.gz QBUBLUATBYPRRX-XYPHTWIQSA-N 2 1 337.895 3.154 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000237526386 141006552 /nfs/dbraw/zinc/00/65/52/141006552.db2.gz DLFLLYMPQIQYLD-OAHLLOKOSA-N 2 1 330.451 3.357 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246942443 141045133 /nfs/dbraw/zinc/04/51/33/141045133.db2.gz HQWFJLQMKQYIQO-LVCYWYKZSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246942443 141045134 /nfs/dbraw/zinc/04/51/34/141045134.db2.gz HQWFJLQMKQYIQO-LVCYWYKZSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246942443 141045135 /nfs/dbraw/zinc/04/51/35/141045135.db2.gz HQWFJLQMKQYIQO-LVCYWYKZSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246942443 141045136 /nfs/dbraw/zinc/04/51/36/141045136.db2.gz HQWFJLQMKQYIQO-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246942443 141045137 /nfs/dbraw/zinc/04/51/37/141045137.db2.gz HQWFJLQMKQYIQO-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246942443 141045138 /nfs/dbraw/zinc/04/51/38/141045138.db2.gz HQWFJLQMKQYIQO-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246942443 141045139 /nfs/dbraw/zinc/04/51/39/141045139.db2.gz HQWFJLQMKQYIQO-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246942443 141045140 /nfs/dbraw/zinc/04/51/40/141045140.db2.gz HQWFJLQMKQYIQO-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246942443 141045141 /nfs/dbraw/zinc/04/51/41/141045141.db2.gz HQWFJLQMKQYIQO-LVCYWYKZSA-N 2 1 329.532 3.491 20 0 EGADMP CC[N@@H+]1CCC[C@H](CN(C)c2cc[nH+]cc2Cl)[C@H]1c1cnn(C)c1 ZINC000337871360 141069250 /nfs/dbraw/zinc/06/92/50/141069250.db2.gz NWFVPIZIPMKJNE-KDOFPFPSSA-N 2 1 347.894 3.378 20 0 EGADMP CC[N@H+]1CCC[C@H](CN(C)c2cc[nH+]cc2Cl)[C@H]1c1cnn(C)c1 ZINC000337871360 141069251 /nfs/dbraw/zinc/06/92/51/141069251.db2.gz NWFVPIZIPMKJNE-KDOFPFPSSA-N 2 1 347.894 3.378 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338022380 141075279 /nfs/dbraw/zinc/07/52/79/141075279.db2.gz MLCKYPJPOWJJMZ-RMJJICAUSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338022380 141075280 /nfs/dbraw/zinc/07/52/80/141075280.db2.gz MLCKYPJPOWJJMZ-RMJJICAUSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338022380 141075281 /nfs/dbraw/zinc/07/52/81/141075281.db2.gz MLCKYPJPOWJJMZ-RMJJICAUSA-N 2 1 343.515 3.029 20 0 EGADMP Cc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347918121 141216732 /nfs/dbraw/zinc/21/67/32/141216732.db2.gz AYFXDNOTBCTCDA-ROUUACIJSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347918121 141216735 /nfs/dbraw/zinc/21/67/35/141216735.db2.gz AYFXDNOTBCTCDA-ROUUACIJSA-N 2 1 343.515 3.485 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](CCC2CCCCC2)CC1 ZINC000353009334 141284435 /nfs/dbraw/zinc/28/44/35/141284435.db2.gz QHBZELRDVORLJF-UHFFFAOYSA-N 2 1 326.525 3.016 20 0 EGADMP Cc1nc2ccc(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)cc2n1C ZINC000354605312 141314084 /nfs/dbraw/zinc/31/40/84/141314084.db2.gz QXHPPXRRGNYPND-OAHLLOKOSA-N 2 1 342.487 3.266 20 0 EGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)[C@H]1CCCOC1)c1ccccc1 ZINC000356840558 141352336 /nfs/dbraw/zinc/35/23/36/141352336.db2.gz FQPRVWRSSGTHDI-HOJAQTOUSA-N 2 1 334.504 3.101 20 0 EGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)[C@H]1CCCOC1)c1ccccc1 ZINC000356840558 141352337 /nfs/dbraw/zinc/35/23/37/141352337.db2.gz FQPRVWRSSGTHDI-HOJAQTOUSA-N 2 1 334.504 3.101 20 0 EGADMP COc1cccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000171827759 144011817 /nfs/dbraw/zinc/01/18/17/144011817.db2.gz GFEYSIMLXQEGOQ-UHFFFAOYSA-N 2 1 339.483 3.434 20 0 EGADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000175168491 144059346 /nfs/dbraw/zinc/05/93/46/144059346.db2.gz DVGOAVLTHOXKSY-FQEVSTJZSA-N 2 1 345.531 3.164 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H](C)C3CCSCC3)CC2)nc(C)[nH+]1 ZINC000187281256 144155911 /nfs/dbraw/zinc/15/59/11/144155911.db2.gz GPEQPPJQJHXQQU-AWEZNQCLSA-N 2 1 334.533 3.184 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CCSCC1 ZINC000187536397 144160459 /nfs/dbraw/zinc/16/04/59/144160459.db2.gz JUOJHTHGVKKPNY-OXJNMPFZSA-N 2 1 348.556 3.265 20 0 EGADMP Cc1ccccc1C1CC([N@@H+](C[C@H](O)CN(C)C2CC2)C2CC2)C1 ZINC000351514336 144272723 /nfs/dbraw/zinc/27/27/23/144272723.db2.gz OMAZFHRJCPXWTP-RRWXTXHCSA-N 2 1 328.500 3.161 20 0 EGADMP Cc1ccccc1C1CC([NH+](C[C@H](O)C[N@@H+](C)C2CC2)C2CC2)C1 ZINC000351514336 144272726 /nfs/dbraw/zinc/27/27/26/144272726.db2.gz OMAZFHRJCPXWTP-RRWXTXHCSA-N 2 1 328.500 3.161 20 0 EGADMP Cc1ccccc1C1CC([N@@H+](C[C@H](O)C[NH+](C)C2CC2)C2CC2)C1 ZINC000351514336 144272731 /nfs/dbraw/zinc/27/27/31/144272731.db2.gz OMAZFHRJCPXWTP-RRWXTXHCSA-N 2 1 328.500 3.161 20 0 EGADMP Cc1ccc(CCN(Cc2ccco2)C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351516241 144273425 /nfs/dbraw/zinc/27/34/25/144273425.db2.gz FEKOIJDDOVOWOL-FQEVSTJZSA-N 2 1 342.483 3.088 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1)C1CC1 ZINC000351572865 144281733 /nfs/dbraw/zinc/28/17/33/144281733.db2.gz GNSSEGOJVIKBDH-YADHBBJMSA-N 2 1 338.495 3.405 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1)C1CC1 ZINC000351572865 144281734 /nfs/dbraw/zinc/28/17/34/144281734.db2.gz GNSSEGOJVIKBDH-YADHBBJMSA-N 2 1 338.495 3.405 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000351575187 144282504 /nfs/dbraw/zinc/28/25/04/144282504.db2.gz RIHPXHFQLORPJM-DLBZAZTESA-N 2 1 344.421 3.447 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000351575187 144282505 /nfs/dbraw/zinc/28/25/05/144282505.db2.gz RIHPXHFQLORPJM-DLBZAZTESA-N 2 1 344.421 3.447 20 0 EGADMP CO[C@]1(C)CCC[N@@H+](CCC[NH+]2CCC[C@](C)(OC)CC2)CC1 ZINC000366491697 286160258 /nfs/dbraw/zinc/16/02/58/286160258.db2.gz SOYMAYJMMITEOS-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP CO[C@]1(C)CCC[NH+](CCC[N@@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000366491697 286160260 /nfs/dbraw/zinc/16/02/60/286160260.db2.gz SOYMAYJMMITEOS-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP CO[C@]1(C)CCC[NH+](CCC[N@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000366491697 286160261 /nfs/dbraw/zinc/16/02/61/286160261.db2.gz SOYMAYJMMITEOS-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP C[N@@H+](CCCNC(=O)c1cccc(-n2ccnc2)c1)C1CCCCC1 ZINC000117751565 152113332 /nfs/dbraw/zinc/11/33/32/152113332.db2.gz LNJHVNZRXIKUMQ-UHFFFAOYSA-N 2 1 340.471 3.257 20 0 EGADMP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000119056121 152170918 /nfs/dbraw/zinc/17/09/18/152170918.db2.gz DDCVDWNVFSHQJD-QKNQBKEWSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000119056121 152170920 /nfs/dbraw/zinc/17/09/20/152170920.db2.gz DDCVDWNVFSHQJD-QKNQBKEWSA-N 2 1 344.547 3.002 20 0 EGADMP Cc1nccn1CCCC[N@@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC000121366151 152346082 /nfs/dbraw/zinc/34/60/82/152346082.db2.gz PMGRRUYANKVCIT-GOSISDBHSA-N 2 1 326.488 3.178 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2CCc2ccccc2)CC1 ZINC000192723300 153255938 /nfs/dbraw/zinc/25/59/38/153255938.db2.gz ZCMFSTHKAIQRPP-QFIPXVFZSA-N 2 1 343.559 3.500 20 0 EGADMP CCOC(=O)C1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192926644 153268661 /nfs/dbraw/zinc/26/86/61/153268661.db2.gz IROYPWHTHNRJKN-HDYDNRTBSA-N 2 1 344.499 3.220 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C12CCCC2 ZINC000344076016 286385681 /nfs/dbraw/zinc/38/56/81/286385681.db2.gz XXYLMHBOJIPAHI-ZSYWTGECSA-N 2 1 338.536 3.203 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337390205 154327587 /nfs/dbraw/zinc/32/75/87/154327587.db2.gz NCNSPBCWIOUUNH-SJORKVTESA-N 2 1 334.504 3.265 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000348889142 156277991 /nfs/dbraw/zinc/27/79/91/156277991.db2.gz FOVACEVKQBXEDZ-ZWKOTPCHSA-N 2 1 345.531 3.060 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000348889142 156277993 /nfs/dbraw/zinc/27/79/93/156277993.db2.gz FOVACEVKQBXEDZ-ZWKOTPCHSA-N 2 1 345.531 3.060 20 0 EGADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000365421160 157118814 /nfs/dbraw/zinc/11/88/14/157118814.db2.gz ISRWSOVWDDHYGD-HKBOAZHASA-N 2 1 346.515 3.071 20 0 EGADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000365421160 157118817 /nfs/dbraw/zinc/11/88/17/157118817.db2.gz ISRWSOVWDDHYGD-HKBOAZHASA-N 2 1 346.515 3.071 20 0 EGADMP C[N@H+](Cc1cc(F)cc(Br)c1)CC1CC[NH+](C)CC1 ZINC000093938932 162033873 /nfs/dbraw/zinc/03/38/73/162033873.db2.gz UIQXBLLQCBQNEG-UHFFFAOYSA-N 2 1 329.257 3.362 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)OC(C)C ZINC000248634722 163024060 /nfs/dbraw/zinc/02/40/60/163024060.db2.gz JTMRTZNPUURZEP-ZWOKBUDYSA-N 2 1 332.488 3.378 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)OC(C)C ZINC000248634722 163024062 /nfs/dbraw/zinc/02/40/62/163024062.db2.gz JTMRTZNPUURZEP-ZWOKBUDYSA-N 2 1 332.488 3.378 20 0 EGADMP COc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+]2CCCC2)cc1 ZINC000248886240 163042243 /nfs/dbraw/zinc/04/22/43/163042243.db2.gz MFYISMFNOGGTBW-SMLSOGCJSA-N 2 1 343.515 3.047 20 0 EGADMP COc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)N2CCCC2)cc1 ZINC000248886240 163042246 /nfs/dbraw/zinc/04/22/46/163042246.db2.gz MFYISMFNOGGTBW-SMLSOGCJSA-N 2 1 343.515 3.047 20 0 EGADMP COc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N2CCCC2)cc1 ZINC000248886240 163042249 /nfs/dbraw/zinc/04/22/49/163042249.db2.gz MFYISMFNOGGTBW-SMLSOGCJSA-N 2 1 343.515 3.047 20 0 EGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC12CCCC2 ZINC000248969025 163048630 /nfs/dbraw/zinc/04/86/30/163048630.db2.gz CDDWWRIFZWHSCO-PMACEKPBSA-N 2 1 328.500 3.456 20 0 EGADMP CCc1cc(NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)nc(C)[nH+]1 ZINC000338835362 163359469 /nfs/dbraw/zinc/35/94/69/163359469.db2.gz VWVPCKDIOSBPDG-KRWDZBQOSA-N 2 1 330.501 3.206 20 0 EGADMP CCC[NH+](CCC)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000338937647 163394236 /nfs/dbraw/zinc/39/42/36/163394236.db2.gz WVHQIRIKZSBQLN-UHFFFAOYSA-N 2 1 345.531 3.151 20 0 EGADMP CC[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccccc1F ZINC000343994535 164078837 /nfs/dbraw/zinc/07/88/37/164078837.db2.gz STILXRBBGOMYFS-GOSISDBHSA-N 2 1 331.435 3.402 20 0 EGADMP Cc1cc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)sc1Br ZINC000344096809 164102264 /nfs/dbraw/zinc/10/22/64/164102264.db2.gz UBMRLHRTXDAHQU-NSHDSACASA-N 2 1 340.290 3.368 20 0 EGADMP CC(C)CO[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1(C)C ZINC000344177449 164120439 /nfs/dbraw/zinc/12/04/39/164120439.db2.gz UQPHCVOGJXVTAI-QZTJIDSGSA-N 2 1 338.536 3.061 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000344240349 164134457 /nfs/dbraw/zinc/13/44/57/164134457.db2.gz CSVXABYBINKYTO-XLIONFOSSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCOC4(CCCC4)C3)sc2C1 ZINC000344353989 164162765 /nfs/dbraw/zinc/16/27/65/164162765.db2.gz JRZVHTULLGQIGI-OAHLLOKOSA-N 2 1 349.544 3.491 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCOC4(CCCC4)C3)sc2C1 ZINC000344353989 164162767 /nfs/dbraw/zinc/16/27/67/164162767.db2.gz JRZVHTULLGQIGI-OAHLLOKOSA-N 2 1 349.544 3.491 20 0 EGADMP Cc1nc2ccccn2c1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000345863379 164281986 /nfs/dbraw/zinc/28/19/86/164281986.db2.gz WEWNBZFWNUMAOP-UHFFFAOYSA-N 2 1 334.467 3.351 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](NC3CC[NH+](C4CCC4)CC3)C2)cc1 ZINC000346174601 164356160 /nfs/dbraw/zinc/35/61/60/164356160.db2.gz LAYFGTZMVNPJPK-FQEVSTJZSA-N 2 1 327.516 3.258 20 0 EGADMP c1ccc(CN2CCC[C@H]([NH2+]C3CC[NH+](C4CCC4)CC3)C2)cc1 ZINC000346174601 164356161 /nfs/dbraw/zinc/35/61/61/164356161.db2.gz LAYFGTZMVNPJPK-FQEVSTJZSA-N 2 1 327.516 3.258 20 0 EGADMP CN(CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000354873782 166052608 /nfs/dbraw/zinc/05/26/08/166052608.db2.gz HCFCNKMNEULAFR-UHFFFAOYSA-N 2 1 338.499 3.366 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000350200950 165018628 /nfs/dbraw/zinc/01/86/28/165018628.db2.gz DATDBPVABCUZCY-OAHLLOKOSA-N 2 1 333.501 3.229 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000350200950 165018630 /nfs/dbraw/zinc/01/86/30/165018630.db2.gz DATDBPVABCUZCY-OAHLLOKOSA-N 2 1 333.501 3.229 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000352040499 165205235 /nfs/dbraw/zinc/20/52/35/165205235.db2.gz OWQLEPMZSCASFP-WDSOQIARSA-N 2 1 331.504 3.105 20 0 EGADMP c1cnn(-c2cccc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2)c1 ZINC000355206247 166133858 /nfs/dbraw/zinc/13/38/58/166133858.db2.gz LXQDOXXOFSXPBX-RXVVDRJESA-N 2 1 336.483 3.321 20 0 EGADMP c1cnn(-c2cccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2)c1 ZINC000355206247 166133860 /nfs/dbraw/zinc/13/38/60/166133860.db2.gz LXQDOXXOFSXPBX-RXVVDRJESA-N 2 1 336.483 3.321 20 0 EGADMP c1cnn(-c2cccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2)c1 ZINC000355206247 166133862 /nfs/dbraw/zinc/13/38/62/166133862.db2.gz LXQDOXXOFSXPBX-RXVVDRJESA-N 2 1 336.483 3.321 20 0 EGADMP C[C@@H](C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000359118299 167071823 /nfs/dbraw/zinc/07/18/23/167071823.db2.gz VFPRHYUBDKLTIS-HLNWXESRSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000359118299 167071826 /nfs/dbraw/zinc/07/18/26/167071826.db2.gz VFPRHYUBDKLTIS-HLNWXESRSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000359118299 167071828 /nfs/dbraw/zinc/07/18/28/167071828.db2.gz VFPRHYUBDKLTIS-HLNWXESRSA-N 2 1 343.515 3.029 20 0 EGADMP COC1CC[NH+](C2(C[NH2+]CC3(OC)CCCCC3)CCCC2)CC1 ZINC000359731846 167217171 /nfs/dbraw/zinc/21/71/71/167217171.db2.gz BOIZPVBHYFGMGX-UHFFFAOYSA-N 2 1 338.536 3.349 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000359795203 167234664 /nfs/dbraw/zinc/23/46/64/167234664.db2.gz MFFHAHINVLGFQI-HNNXBMFYSA-N 2 1 345.487 3.345 20 0 EGADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000360239898 167279377 /nfs/dbraw/zinc/27/93/77/167279377.db2.gz COHLGHRAPXFZMA-XJKSGUPXSA-N 2 1 331.287 3.491 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCSCc1ccccc1 ZINC000366833338 168146635 /nfs/dbraw/zinc/14/66/35/168146635.db2.gz KMCHPGXNCATZBL-CEXWTWQISA-N 2 1 334.529 3.103 20 0 EGADMP CC[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000366951327 168160763 /nfs/dbraw/zinc/16/07/63/168160763.db2.gz IVVZQEISAWXYGF-UXHICEINSA-N 2 1 326.488 3.373 20 0 EGADMP COC(=O)c1cccc(Cl)c1CN1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000367134293 168183073 /nfs/dbraw/zinc/18/30/73/168183073.db2.gz WLHDIKHODUDXNM-LBPRGKRZSA-N 2 1 333.819 3.229 20 0 EGADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000367703058 168260391 /nfs/dbraw/zinc/26/03/91/168260391.db2.gz MTJOTUNAIJDSRN-HNNXBMFYSA-N 2 1 327.428 3.055 20 0 EGADMP CN(C)C(=O)Sc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158622534 225055594 /nfs/dbraw/zinc/05/55/94/225055594.db2.gz UVSLGECEPFUZDM-AEFFLSMTSA-N 2 1 347.528 3.376 20 0 EGADMP CN(C)C(=O)Sc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158622534 225055596 /nfs/dbraw/zinc/05/55/96/225055596.db2.gz UVSLGECEPFUZDM-AEFFLSMTSA-N 2 1 347.528 3.376 20 0 EGADMP CN(C)C(=O)Sc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158622534 225055600 /nfs/dbraw/zinc/05/56/00/225055600.db2.gz UVSLGECEPFUZDM-AEFFLSMTSA-N 2 1 347.528 3.376 20 0 EGADMP CN(C)C(=O)Sc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158622534 225055603 /nfs/dbraw/zinc/05/56/03/225055603.db2.gz UVSLGECEPFUZDM-AEFFLSMTSA-N 2 1 347.528 3.376 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000158949411 225115208 /nfs/dbraw/zinc/11/52/08/225115208.db2.gz MBQVEFUPLHXOHK-QGZVFWFLSA-N 2 1 343.515 3.262 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@H](C)C1 ZINC000122438706 222087896 /nfs/dbraw/zinc/08/78/96/222087896.db2.gz BCFAEWLIFNFRQN-BEFAXECRSA-N 2 1 329.488 3.245 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@H](C)C1 ZINC000122438706 222087898 /nfs/dbraw/zinc/08/78/98/222087898.db2.gz BCFAEWLIFNFRQN-BEFAXECRSA-N 2 1 329.488 3.245 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(O)cc2)[C@H](C)C1 ZINC000122913783 222181029 /nfs/dbraw/zinc/18/10/29/222181029.db2.gz BEDGRBDOIWEWIZ-UWVAXJGDSA-N 2 1 334.504 3.050 20 0 EGADMP C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123160153 222226926 /nfs/dbraw/zinc/22/69/26/222226926.db2.gz KHJURMIXEDNKAJ-OAHLLOKOSA-N 2 1 342.487 3.038 20 0 EGADMP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000174870671 265076442 /nfs/dbraw/zinc/07/64/42/265076442.db2.gz XTZXVJPHEHFWFP-LJQANCHMSA-N 2 1 344.503 3.134 20 0 EGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177247890 265243614 /nfs/dbraw/zinc/24/36/14/265243614.db2.gz QOJSJFDDERFDNG-HZPDHXFCSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177247890 265243616 /nfs/dbraw/zinc/24/36/16/265243616.db2.gz QOJSJFDDERFDNG-HZPDHXFCSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189272772 265749056 /nfs/dbraw/zinc/74/90/56/265749056.db2.gz FKKRELRTDZXSPW-RTBURBONSA-N 2 1 330.451 3.033 20 0 EGADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000236951223 266219789 /nfs/dbraw/zinc/21/97/89/266219789.db2.gz DPCILXPREVTPHM-GJYPPUQNSA-N 2 1 331.504 3.051 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000237671236 266241018 /nfs/dbraw/zinc/24/10/18/266241018.db2.gz GRSRWPMGTZJAKP-KRWDZBQOSA-N 2 1 343.515 3.054 20 0 EGADMP CCOc1ccccc1OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000269618441 266328074 /nfs/dbraw/zinc/32/80/74/266328074.db2.gz DDBFVNLFVYFPRH-PKOBYXMFSA-N 2 1 344.499 3.413 20 0 EGADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000269618441 266328078 /nfs/dbraw/zinc/32/80/78/266328078.db2.gz DDBFVNLFVYFPRH-PKOBYXMFSA-N 2 1 344.499 3.413 20 0 EGADMP CCOc1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269618441 266328082 /nfs/dbraw/zinc/32/80/82/266328082.db2.gz DDBFVNLFVYFPRH-PKOBYXMFSA-N 2 1 344.499 3.413 20 0 EGADMP CCOc1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269618441 266328084 /nfs/dbraw/zinc/32/80/84/266328084.db2.gz DDBFVNLFVYFPRH-PKOBYXMFSA-N 2 1 344.499 3.413 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000273266388 267008767 /nfs/dbraw/zinc/00/87/67/267008767.db2.gz ULTKTTWEMSXYGR-YQVWRLOYSA-N 2 1 345.531 3.180 20 0 EGADMP Cc1cc(C)n(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000274852135 267296809 /nfs/dbraw/zinc/29/68/09/267296809.db2.gz REIDNKXTSAXMOZ-OXQOHEQNSA-N 2 1 326.488 3.000 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@](C)([NH3+])c2ccccc2)c1 ZINC000192522936 275224241 /nfs/dbraw/zinc/22/42/41/275224241.db2.gz RAACSUWNAKUBKK-NRFANRHFSA-N 2 1 339.483 3.017 20 0 EGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1Cc2ccccc2[C@H]1O ZINC000271895980 275239491 /nfs/dbraw/zinc/23/94/91/275239491.db2.gz FSEKNYNKVUUDLS-YUXAGFNASA-N 2 1 336.479 3.099 20 0 EGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1Cc2ccccc2[C@H]1O ZINC000271895980 275239492 /nfs/dbraw/zinc/23/94/92/275239492.db2.gz FSEKNYNKVUUDLS-YUXAGFNASA-N 2 1 336.479 3.099 20 0 EGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1Cc2ccccc2[C@H]1O ZINC000271895980 275239493 /nfs/dbraw/zinc/23/94/93/275239493.db2.gz FSEKNYNKVUUDLS-YUXAGFNASA-N 2 1 336.479 3.099 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCO[C@H]1CCCCO1 ZINC000278595829 275257443 /nfs/dbraw/zinc/25/74/43/275257443.db2.gz DQFYIULACZETTH-RLLQIKCJSA-N 2 1 332.488 3.030 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCO[C@H]1CCCCO1 ZINC000278595829 275257444 /nfs/dbraw/zinc/25/74/44/275257444.db2.gz DQFYIULACZETTH-RLLQIKCJSA-N 2 1 332.488 3.030 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCSc3ccc(F)cc32)CCCO1 ZINC000278778125 275273869 /nfs/dbraw/zinc/27/38/69/275273869.db2.gz YDPHJRKPAAHAHY-RHSMWYFYSA-N 2 1 338.492 3.453 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCSc3ccc(F)cc32)CCCO1 ZINC000278778125 275273871 /nfs/dbraw/zinc/27/38/71/275273871.db2.gz YDPHJRKPAAHAHY-RHSMWYFYSA-N 2 1 338.492 3.453 20 0 EGADMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cn1 ZINC000279083184 275302395 /nfs/dbraw/zinc/30/23/95/275302395.db2.gz MUNRLQDWTCSJCQ-DNVCBOLYSA-N 2 1 344.503 3.173 20 0 EGADMP CCn1nc(C)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1C ZINC000279469861 275333437 /nfs/dbraw/zinc/33/34/37/275333437.db2.gz RZWXEGQTETURDH-UHFFFAOYSA-N 2 1 341.503 3.432 20 0 EGADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000281432486 275549107 /nfs/dbraw/zinc/54/91/07/275549107.db2.gz CGFTYQFVFPFAFB-AWEZNQCLSA-N 2 1 344.421 3.337 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000287106305 276084527 /nfs/dbraw/zinc/08/45/27/276084527.db2.gz QHQTZJKWOCUHMB-NLEAXPPASA-N 2 1 347.547 3.395 20 0 EGADMP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000287106305 276084528 /nfs/dbraw/zinc/08/45/28/276084528.db2.gz QHQTZJKWOCUHMB-NLEAXPPASA-N 2 1 347.547 3.395 20 0 EGADMP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000287106305 276084529 /nfs/dbraw/zinc/08/45/29/276084529.db2.gz QHQTZJKWOCUHMB-NLEAXPPASA-N 2 1 347.547 3.395 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C(C)C)nc2C)C1 ZINC000339008879 276100608 /nfs/dbraw/zinc/10/06/08/276100608.db2.gz ALSDZMRNTMVTTM-IBGZPJMESA-N 2 1 333.520 3.446 20 0 EGADMP COC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(Cl)c1F ZINC000287315026 276107381 /nfs/dbraw/zinc/10/73/81/276107381.db2.gz DDRXCDNYXNJMLF-OAHLLOKOSA-N 2 1 325.815 3.351 20 0 EGADMP O[C@@H](Cc1cccc(Cl)c1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000287925507 276169665 /nfs/dbraw/zinc/16/96/65/276169665.db2.gz WLIGLKZDEWJLMM-MOPGFXCFSA-N 2 1 336.907 3.194 20 0 EGADMP COc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1O ZINC000288473143 276217698 /nfs/dbraw/zinc/21/76/98/276217698.db2.gz PDNJDTFNWYCKNZ-YJBOKZPZSA-N 2 1 326.440 3.153 20 0 EGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000289367407 276328551 /nfs/dbraw/zinc/32/85/51/276328551.db2.gz ZXCNIJQVQHKMGL-QZTJIDSGSA-N 2 1 347.503 3.360 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000289367407 276328553 /nfs/dbraw/zinc/32/85/53/276328553.db2.gz ZXCNIJQVQHKMGL-QZTJIDSGSA-N 2 1 347.503 3.360 20 0 EGADMP CC[N@H+](Cc1cnc([C@@H](C)O)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289414506 276335275 /nfs/dbraw/zinc/33/52/75/276335275.db2.gz IGKKKDOJWGDCSM-CQSZACIVSA-N 2 1 333.501 3.280 20 0 EGADMP CC[N@@H+](Cc1cnc([C@@H](C)O)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289414506 276335276 /nfs/dbraw/zinc/33/52/76/276335276.db2.gz IGKKKDOJWGDCSM-CQSZACIVSA-N 2 1 333.501 3.280 20 0 EGADMP C[NH+]1CCC([NH2+]CCc2c[nH]c3cccc(Br)c23)CC1 ZINC000289728312 276384618 /nfs/dbraw/zinc/38/46/18/276384618.db2.gz GBJXRDGRWKWDGS-UHFFFAOYSA-N 2 1 336.277 3.157 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1CCC1 ZINC000178574891 278358144 /nfs/dbraw/zinc/35/81/44/278358144.db2.gz DIUGDGQFZPDHCZ-QGZVFWFLSA-N 2 1 346.515 3.454 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)NC[C@H](C)[NH+]1CCCC[C@@H]1C)c1ccccc1 ZINC000343870296 279045677 /nfs/dbraw/zinc/04/56/77/279045677.db2.gz SOGHQSDMVRXRAB-LNLFQRSKSA-N 2 1 331.504 3.059 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H](C)[NH+]1CCCC[C@@H]1C)c1ccccc1 ZINC000343870296 279045678 /nfs/dbraw/zinc/04/56/78/279045678.db2.gz SOGHQSDMVRXRAB-LNLFQRSKSA-N 2 1 331.504 3.059 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000343870296 279045679 /nfs/dbraw/zinc/04/56/79/279045679.db2.gz SOGHQSDMVRXRAB-LNLFQRSKSA-N 2 1 331.504 3.059 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000343870296 279045680 /nfs/dbraw/zinc/04/56/80/279045680.db2.gz SOGHQSDMVRXRAB-LNLFQRSKSA-N 2 1 331.504 3.059 20 0 EGADMP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000263219951 280165941 /nfs/dbraw/zinc/16/59/41/280165941.db2.gz LSEHSKLVRNLBOJ-ICSRJNTNSA-N 2 1 335.536 3.009 20 0 EGADMP COc1cccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+]2CCCC2)c1 ZINC000192600727 295326169 /nfs/dbraw/zinc/32/61/69/295326169.db2.gz PIWLEYCOOLCDSP-QYYYHEGRSA-N 2 1 343.515 3.047 20 0 EGADMP COc1cccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)N2CCCC2)c1 ZINC000192600727 295326170 /nfs/dbraw/zinc/32/61/70/295326170.db2.gz PIWLEYCOOLCDSP-QYYYHEGRSA-N 2 1 343.515 3.047 20 0 EGADMP COc1cccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N2CCCC2)c1 ZINC000192600727 295326172 /nfs/dbraw/zinc/32/61/72/295326172.db2.gz PIWLEYCOOLCDSP-QYYYHEGRSA-N 2 1 343.515 3.047 20 0 EGADMP COc1cccc2cc([C@@H](C)[NH2+]CCCC[N@H+]3CCC[C@H]3CO)oc21 ZINC000245840185 295343873 /nfs/dbraw/zinc/34/38/73/295343873.db2.gz DGWPHUSAAPUKFV-WBVHZDCISA-N 2 1 346.471 3.329 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000339690447 297227428 /nfs/dbraw/zinc/22/74/28/297227428.db2.gz DNBRTYVJGWGLPD-LMMKCTJWSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000357048188 298162302 /nfs/dbraw/zinc/16/23/02/298162302.db2.gz MPOLDEHHJLPWIP-AJYBTWMASA-N 2 1 343.515 3.201 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cc2n(n1)CCC2 ZINC000414082112 309060002 /nfs/dbraw/zinc/06/00/02/309060002.db2.gz UWZXAUZEAQDPKO-INIZCTEOSA-N 2 1 342.487 3.011 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CCCO1 ZINC000414122198 309062207 /nfs/dbraw/zinc/06/22/07/309062207.db2.gz AYZXKFUPDGSZAW-ZACQAIPSSA-N 2 1 326.525 3.059 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CCCO1 ZINC000414122198 309062208 /nfs/dbraw/zinc/06/22/08/309062208.db2.gz AYZXKFUPDGSZAW-ZACQAIPSSA-N 2 1 326.525 3.059 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000414191381 309065850 /nfs/dbraw/zinc/06/58/50/309065850.db2.gz SLDMLVBHRKWWSE-CABCVRRESA-N 2 1 329.488 3.299 20 0 EGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@@H](C)O1 ZINC000414271688 309069939 /nfs/dbraw/zinc/06/99/39/309069939.db2.gz XEFJCGYZJRTYFB-ADMSAAITSA-N 2 1 328.500 3.300 20 0 EGADMP CCc1ncc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000414383134 309076678 /nfs/dbraw/zinc/07/66/78/309076678.db2.gz SRKPLZASVORMEX-LFUKPOHLSA-N 2 1 338.499 3.285 20 0 EGADMP CCc1ncc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000414383134 309076679 /nfs/dbraw/zinc/07/66/79/309076679.db2.gz SRKPLZASVORMEX-LFUKPOHLSA-N 2 1 338.499 3.285 20 0 EGADMP OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248422480 308002924 /nfs/dbraw/zinc/00/29/24/308002924.db2.gz YPSYNBPYBYIEQO-VIYGXFRKSA-N 2 1 328.500 3.038 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248597235 308006792 /nfs/dbraw/zinc/00/67/92/308006792.db2.gz TXNZCTGLEMFMQJ-BFMVXSJESA-N 2 1 349.563 3.312 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248597235 308006793 /nfs/dbraw/zinc/00/67/93/308006793.db2.gz TXNZCTGLEMFMQJ-BFMVXSJESA-N 2 1 349.563 3.312 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@H](C)CCC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248611326 308007098 /nfs/dbraw/zinc/00/70/98/308007098.db2.gz XSWVNMNUYMVVPG-IEWDOMPSSA-N 2 1 349.563 3.407 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@H](C)CCC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248611326 308007100 /nfs/dbraw/zinc/00/71/00/308007100.db2.gz XSWVNMNUYMVVPG-IEWDOMPSSA-N 2 1 349.563 3.407 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)[C@@H](C)C1 ZINC000248766144 308011459 /nfs/dbraw/zinc/01/14/59/308011459.db2.gz GXFLKJPKLKMPNH-INDMIFKZSA-N 2 1 340.552 3.305 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000249087708 308018793 /nfs/dbraw/zinc/01/87/93/308018793.db2.gz GCDAHWRRHKDJMY-RTWAWAEBSA-N 2 1 329.532 3.015 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000249133018 308019927 /nfs/dbraw/zinc/01/99/27/308019927.db2.gz YHWQPDFAHXCGQZ-XOKHGSTOSA-N 2 1 326.843 3.383 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000250638189 308029849 /nfs/dbraw/zinc/02/98/49/308029849.db2.gz SMZDRZJDVFCHOO-GUYCJALGSA-N 2 1 337.305 3.238 20 0 EGADMP CCOc1ccccc1C[N@@H+](CCCn1ccnc1)C[C@H](O)C(C)C ZINC000292859722 308073281 /nfs/dbraw/zinc/07/32/81/308073281.db2.gz GSESPEINIJFVGO-IBGZPJMESA-N 2 1 345.487 3.191 20 0 EGADMP CSc1ccc(NC(=O)[C@H](C)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292874155 308075004 /nfs/dbraw/zinc/07/50/04/308075004.db2.gz DMFOBLTUIPYPMF-KXBFYZLASA-N 2 1 347.528 3.153 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cnn(CC(F)F)c1 ZINC000292993291 308087958 /nfs/dbraw/zinc/08/79/58/308087958.db2.gz NBBBCGHUPXWRGT-QAPCUYQASA-N 2 1 348.441 3.148 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292993291 308087960 /nfs/dbraw/zinc/08/79/60/308087960.db2.gz NBBBCGHUPXWRGT-QAPCUYQASA-N 2 1 348.441 3.148 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292993291 308087962 /nfs/dbraw/zinc/08/79/62/308087962.db2.gz NBBBCGHUPXWRGT-QAPCUYQASA-N 2 1 348.441 3.148 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292993291 308087964 /nfs/dbraw/zinc/08/79/64/308087964.db2.gz NBBBCGHUPXWRGT-QAPCUYQASA-N 2 1 348.441 3.148 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000294902537 308269613 /nfs/dbraw/zinc/26/96/13/308269613.db2.gz FPCSTIGSCLRFRE-SNRMKQJTSA-N 2 1 335.561 3.331 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(SC)cc2)N(C)C)[C@@H](C)C1 ZINC000294902537 308269614 /nfs/dbraw/zinc/26/96/14/308269614.db2.gz FPCSTIGSCLRFRE-SNRMKQJTSA-N 2 1 335.561 3.331 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(SC)cc2)N(C)C)[C@@H](C)C1 ZINC000294902537 308269615 /nfs/dbraw/zinc/26/96/15/308269615.db2.gz FPCSTIGSCLRFRE-SNRMKQJTSA-N 2 1 335.561 3.331 20 0 EGADMP O=C1CCC(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000295156679 308297377 /nfs/dbraw/zinc/29/73/77/308297377.db2.gz GAFHEUFTBSFNQZ-NRFANRHFSA-N 2 1 326.484 3.344 20 0 EGADMP O=C1CCC(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000295156679 308297378 /nfs/dbraw/zinc/29/73/78/308297378.db2.gz GAFHEUFTBSFNQZ-NRFANRHFSA-N 2 1 326.484 3.344 20 0 EGADMP O=C1CCC(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000295156679 308297379 /nfs/dbraw/zinc/29/73/79/308297379.db2.gz GAFHEUFTBSFNQZ-NRFANRHFSA-N 2 1 326.484 3.344 20 0 EGADMP O=C1CCC(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000295156679 308297380 /nfs/dbraw/zinc/29/73/80/308297380.db2.gz GAFHEUFTBSFNQZ-NRFANRHFSA-N 2 1 326.484 3.344 20 0 EGADMP CN(Cc1cnn(CC(F)F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295297658 308312159 /nfs/dbraw/zinc/31/21/59/308312159.db2.gz JPFYYHMSEATBMB-KRWDZBQOSA-N 2 1 348.441 3.102 20 0 EGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000295799656 308361522 /nfs/dbraw/zinc/36/15/22/308361522.db2.gz CABFERSOEVVNPK-HXUWFJFHSA-N 2 1 326.488 3.162 20 0 EGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414664324 309094424 /nfs/dbraw/zinc/09/44/24/309094424.db2.gz CDIPUQMVJXSTDJ-MRXNPFEDSA-N 2 1 339.487 3.102 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414664324 309094425 /nfs/dbraw/zinc/09/44/25/309094425.db2.gz CDIPUQMVJXSTDJ-MRXNPFEDSA-N 2 1 339.487 3.102 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)CC[NH2+]1 ZINC000414750726 309098768 /nfs/dbraw/zinc/09/87/68/309098768.db2.gz RKAIZXJGRPOZJA-BVMVRJANSA-N 2 1 343.298 3.271 20 0 EGADMP C[C@H]1C[C@H](C[N@@H+](CCCOc2ccccc2)C2CCOCC2)CC[NH2+]1 ZINC000414754574 309098979 /nfs/dbraw/zinc/09/89/79/309098979.db2.gz GHTNLNKLZCBIGM-RBUKOAKNSA-N 2 1 346.515 3.325 20 0 EGADMP COc1ccc2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)sc2c1 ZINC000414788495 309101369 /nfs/dbraw/zinc/10/13/69/309101369.db2.gz WQAACEUGHILGRV-UONOGXRCSA-N 2 1 331.485 3.126 20 0 EGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000414805978 309102637 /nfs/dbraw/zinc/10/26/37/309102637.db2.gz QALOWPDETSOVHE-ZFWWWQNUSA-N 2 1 345.468 3.146 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H]1SC ZINC000298568148 308625428 /nfs/dbraw/zinc/62/54/28/308625428.db2.gz WUBJTCITTVUNJX-VAMGGRTRSA-N 2 1 348.556 3.192 20 0 EGADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000414829440 309104226 /nfs/dbraw/zinc/10/42/26/309104226.db2.gz AWVSBTUAPPVLSA-INIZCTEOSA-N 2 1 326.488 3.170 20 0 EGADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000414830440 309104252 /nfs/dbraw/zinc/10/42/52/309104252.db2.gz OAFXTWIPQYGMRD-ONUIULTDSA-N 2 1 328.500 3.426 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCN(c3cc[nH+]cc3Cl)CC2)C[C@@H](C)O1 ZINC000301585537 308706174 /nfs/dbraw/zinc/70/61/74/308706174.db2.gz VXWRGZUMGOQUQZ-HUUCEWRRSA-N 2 1 337.895 3.451 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414863160 309106170 /nfs/dbraw/zinc/10/61/70/309106170.db2.gz XZNNXWQLZCTFGI-ZFWWWQNUSA-N 2 1 332.879 3.312 20 0 EGADMP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414900992 309108186 /nfs/dbraw/zinc/10/81/86/309108186.db2.gz FLIALBMAWMUILL-IAGOWNOFSA-N 2 1 338.879 3.130 20 0 EGADMP CCC[NH2+]CCNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000414911534 309108737 /nfs/dbraw/zinc/10/87/37/309108737.db2.gz UKODRFBISHQPAX-UHFFFAOYSA-N 2 1 343.475 3.176 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414947289 309110694 /nfs/dbraw/zinc/11/06/94/309110694.db2.gz KOYUARJDIMOSQH-KXBFYZLASA-N 2 1 326.488 3.087 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414959083 309111534 /nfs/dbraw/zinc/11/15/34/309111534.db2.gz WZTQDXHLEKEJQU-SUMWQHHRSA-N 2 1 346.906 3.432 20 0 EGADMP COC[C@]1(C[NH2+][C@@H](C)Cc2c(Cl)cccc2Cl)CCC[NH2+]1 ZINC000414961346 309111707 /nfs/dbraw/zinc/11/17/07/309111707.db2.gz VEBPECNGTPVFNC-BLLLJJGKSA-N 2 1 331.287 3.283 20 0 EGADMP CCOc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)ccc1OCC(F)(F)F ZINC000415057441 309117336 /nfs/dbraw/zinc/11/73/36/309117336.db2.gz SSEUYJFTWZABSE-OAHLLOKOSA-N 2 1 348.409 3.489 20 0 EGADMP [NH3+]C[C@H](NC1CC[NH+](Cc2ccccc2Cl)CC1)C1CCCC1 ZINC000415068181 309118146 /nfs/dbraw/zinc/11/81/46/309118146.db2.gz QLUPVOSQGWNGMW-IBGZPJMESA-N 2 1 335.923 3.412 20 0 EGADMP COc1ccc(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1OC ZINC000415086056 309119361 /nfs/dbraw/zinc/11/93/61/309119361.db2.gz ROZJQZOMJWHGLG-MOPGFXCFSA-N 2 1 340.467 3.329 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000415125394 309122158 /nfs/dbraw/zinc/12/21/58/309122158.db2.gz LDGYCTCUBWUVGX-OCCSQVGLSA-N 2 1 346.393 3.053 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000415904921 309147282 /nfs/dbraw/zinc/14/72/82/309147282.db2.gz TVGBANOXNWAHSD-UHFFFAOYSA-N 2 1 346.519 3.382 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000415909065 309147583 /nfs/dbraw/zinc/14/75/83/309147583.db2.gz RMMJDQMREGKGKG-IBGZPJMESA-N 2 1 344.503 3.182 20 0 EGADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000415934133 309149741 /nfs/dbraw/zinc/14/97/41/309149741.db2.gz RDUAVUKYWMSNJQ-INIZCTEOSA-N 2 1 344.503 3.134 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000415932949 309149762 /nfs/dbraw/zinc/14/97/62/309149762.db2.gz NOMGQLDNBZPYGX-IXDOHACOSA-N 2 1 346.519 3.284 20 0 EGADMP C[C@@H]1CN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC000416239247 309165202 /nfs/dbraw/zinc/16/52/02/309165202.db2.gz KJPQXJVZXHXISU-FXAWDEMLSA-N 2 1 343.515 3.012 20 0 EGADMP Brc1ccc2[nH+]ccc(N3CC[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC000420227689 309277641 /nfs/dbraw/zinc/27/76/41/309277641.db2.gz JHEXGAHRFUBNKC-MRXNPFEDSA-N 2 1 332.245 3.187 20 0 EGADMP COc1ccc(C[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C2CC2)cc1 ZINC000420302885 309280444 /nfs/dbraw/zinc/28/04/44/309280444.db2.gz JVQJCHCHNIWJLV-GOSISDBHSA-N 2 1 340.467 3.411 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+](C)CCCOc2ccccc2)cc1 ZINC000420301629 309280529 /nfs/dbraw/zinc/28/05/29/309280529.db2.gz IQCCYNMJQOJQCI-SFHVURJKSA-N 2 1 328.456 3.138 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CCCOc2ccccc2)cc1 ZINC000420301629 309280530 /nfs/dbraw/zinc/28/05/30/309280530.db2.gz IQCCYNMJQOJQCI-SFHVURJKSA-N 2 1 328.456 3.138 20 0 EGADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000420302997 309280573 /nfs/dbraw/zinc/28/05/73/309280573.db2.gz KFEBGXBKOOSXEH-LBPRGKRZSA-N 2 1 344.286 3.253 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[NH2+]C(C)(C)c2nc(C)c(C)s2)cc1 ZINC000420307344 309280612 /nfs/dbraw/zinc/28/06/12/309280612.db2.gz BNUKVLXLTCRVLC-OAHLLOKOSA-N 2 1 333.501 3.336 20 0 EGADMP Cn1ccnc1C[N@@H+](CCCc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420308037 309281038 /nfs/dbraw/zinc/28/10/38/309281038.db2.gz JSARYINNSNNLOX-KRWDZBQOSA-N 2 1 344.528 3.059 20 0 EGADMP CCC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000420313599 309281145 /nfs/dbraw/zinc/28/11/45/309281145.db2.gz YDIFFWBJKFQRGG-FFGOWVMKSA-N 2 1 346.515 3.263 20 0 EGADMP Fc1ccc(-c2c[nH]c([C@H]3CCC[N@H+]3CC[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000420314530 309281661 /nfs/dbraw/zinc/28/16/61/309281661.db2.gz KFWTUCBIANFMRU-KBXCAEBGSA-N 2 1 328.435 3.352 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420334325 309282760 /nfs/dbraw/zinc/28/27/60/309282760.db2.gz GDSKIECXPQEZCI-OKZBNKHCSA-N 2 1 343.515 3.459 20 0 EGADMP O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420334740 309282875 /nfs/dbraw/zinc/28/28/75/309282875.db2.gz LDAYZZMINGJHGP-BGYRXZFFSA-N 2 1 349.478 3.370 20 0 EGADMP Cc1cc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)ccc1F ZINC000420338797 309283151 /nfs/dbraw/zinc/28/31/51/309283151.db2.gz XZVNZISFCKIFNG-HZPDHXFCSA-N 2 1 344.434 3.006 20 0 EGADMP C[N@@H+](CCCC(c1ccc(F)cc1)c1ccc(F)cc1)C[C@H](O)C[NH3+] ZINC000420350492 309283668 /nfs/dbraw/zinc/28/36/68/309283668.db2.gz HAHANQMYXUAYHK-LJQANCHMSA-N 2 1 348.437 3.128 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000420361956 309284415 /nfs/dbraw/zinc/28/44/15/309284415.db2.gz NUJJRBCBEIGDLM-UYAOXDASSA-N 2 1 339.483 3.314 20 0 EGADMP [NH3+]C[C@@H]([NH2+]CCC(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1 ZINC000420368646 309284548 /nfs/dbraw/zinc/28/45/48/309284548.db2.gz NVRKKBDZYKDFLW-WOJBJXKFSA-N 2 1 343.515 3.068 20 0 EGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000420382206 309285483 /nfs/dbraw/zinc/28/54/83/309285483.db2.gz ZMAHCOYGJQKZCD-ZETOZRRWSA-N 2 1 344.286 3.298 20 0 EGADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420384287 309285531 /nfs/dbraw/zinc/28/55/31/309285531.db2.gz RLYRMJPUHFEGLM-SJORKVTESA-N 2 1 333.867 3.178 20 0 EGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000420382204 309285572 /nfs/dbraw/zinc/28/55/72/309285572.db2.gz ZMAHCOYGJQKZCD-JRPNMDOOSA-N 2 1 344.286 3.298 20 0 EGADMP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420393711 309286132 /nfs/dbraw/zinc/28/61/32/309286132.db2.gz QTJBJPJCSUZFRS-FVQBIDKESA-N 2 1 335.492 3.251 20 0 EGADMP CC(C)[NH+](CCN(C)Cc1cccc(C[NH+]2CCOCC2)c1)C(C)C ZINC000420934425 309302621 /nfs/dbraw/zinc/30/26/21/309302621.db2.gz IYVIOMCQRUPEEC-UHFFFAOYSA-N 2 1 347.547 3.069 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(C)ccc3C)CC2)CC1 ZINC000420974378 309305464 /nfs/dbraw/zinc/30/54/64/309305464.db2.gz DLXQKUMZRAVRFG-UHFFFAOYSA-N 2 1 329.532 3.295 20 0 EGADMP O[C@@]1(C[NH2+]Cc2cccc(C3CC3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000421352404 309319720 /nfs/dbraw/zinc/31/97/20/309319720.db2.gz DFENSGZFSIULRO-JOCHJYFZSA-N 2 1 336.479 3.291 20 0 EGADMP O[C@@]1(C[NH2+]Cc2cccc(C3CC3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000421352404 309319721 /nfs/dbraw/zinc/31/97/21/309319721.db2.gz DFENSGZFSIULRO-JOCHJYFZSA-N 2 1 336.479 3.291 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421823138 309341599 /nfs/dbraw/zinc/34/15/99/309341599.db2.gz CDSMVYIMQSKOCM-ZDUSSCGKSA-N 2 1 328.859 3.111 20 0 EGADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000421854826 309343552 /nfs/dbraw/zinc/34/35/52/309343552.db2.gz MGKWVICPBXRBOQ-AWEZNQCLSA-N 2 1 339.911 3.025 20 0 EGADMP CON1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000421875116 309344605 /nfs/dbraw/zinc/34/46/05/309344605.db2.gz JPNITARJVPCRRL-NJDAHSKKSA-N 2 1 343.515 3.045 20 0 EGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000423259969 309392743 /nfs/dbraw/zinc/39/27/43/309392743.db2.gz GHYFRTXFKLTQGX-BXUZGUMPSA-N 2 1 331.273 3.482 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422558912 309361542 /nfs/dbraw/zinc/36/15/42/309361542.db2.gz BGTCPGIGVVTXBE-DZKIICNBSA-N 2 1 330.451 3.125 20 0 EGADMP c1ccc(OC2CCCC2)c(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422691116 309363424 /nfs/dbraw/zinc/36/34/24/309363424.db2.gz HMEHSYUYNOQQJY-SLFFLAALSA-N 2 1 344.499 3.255 20 0 EGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422730954 309365761 /nfs/dbraw/zinc/36/57/61/309365761.db2.gz MWLUOGZXTRXFLS-IRXDYDNUSA-N 2 1 342.314 3.427 20 0 EGADMP CCOc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1OC ZINC000422846548 309371836 /nfs/dbraw/zinc/37/18/36/309371836.db2.gz QBHOSYXTLQYWTI-CRAIPNDOSA-N 2 1 328.456 3.142 20 0 EGADMP C[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000422862974 309372519 /nfs/dbraw/zinc/37/25/19/309372519.db2.gz OIRYLOMQMSVXPX-VGUOSERISA-N 2 1 343.515 3.095 20 0 EGADMP C[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC000422862974 309372520 /nfs/dbraw/zinc/37/25/20/309372520.db2.gz OIRYLOMQMSVXPX-VGUOSERISA-N 2 1 343.515 3.095 20 0 EGADMP Fc1cccc(Oc2ncccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422867341 309372732 /nfs/dbraw/zinc/37/27/32/309372732.db2.gz RYCZTWPECBEMPJ-SJPCQFCGSA-N 2 1 327.403 3.386 20 0 EGADMP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422873115 309373108 /nfs/dbraw/zinc/37/31/08/309373108.db2.gz KAVSEJFRNIBBEA-OJAHFUOMSA-N 2 1 346.515 3.419 20 0 EGADMP CCCNC(=O)c1cccc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000422893894 309374592 /nfs/dbraw/zinc/37/45/92/309374592.db2.gz RJHWAEUPONNBRT-LPHOPBHVSA-N 2 1 331.504 3.227 20 0 EGADMP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422900468 309375102 /nfs/dbraw/zinc/37/51/02/309375102.db2.gz JHSDGNOYDFFTOT-IAGOWNOFSA-N 2 1 346.519 3.127 20 0 EGADMP CC[C@@H]([NH2+]CCc1nc2ccccc2n1C(F)F)[C@H]1CCCC[NH2+]1 ZINC000422914727 309376017 /nfs/dbraw/zinc/37/60/17/309376017.db2.gz VSDNSIIVKNHAKB-ZIAGYGMSSA-N 2 1 336.430 3.484 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)Cc1cc(Br)ccc1F)[C@H]1CCC[NH2+]1 ZINC000423009487 309380870 /nfs/dbraw/zinc/38/08/70/309380870.db2.gz CYTHPLSZMDPUSO-FIXISWKDSA-N 2 1 329.257 3.249 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423036575 309382160 /nfs/dbraw/zinc/38/21/60/309382160.db2.gz APXSXJWUZAIWND-MKBNYLNASA-N 2 1 328.287 3.302 20 0 EGADMP C[NH+](C)[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423047234 309382892 /nfs/dbraw/zinc/38/28/92/309382892.db2.gz GVRRHCFHUJLZKW-DJIMGWMZSA-N 2 1 343.437 3.415 20 0 EGADMP Cn1c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc2cccc(Cl)c21 ZINC000423053969 309383442 /nfs/dbraw/zinc/38/34/42/309383442.db2.gz SRTSKHPABBPLBI-NWANDNLSSA-N 2 1 332.879 3.237 20 0 EGADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000423057950 309383516 /nfs/dbraw/zinc/38/35/16/309383516.db2.gz BABKWHJNIJFCLF-VQHPVUNQSA-N 2 1 342.405 3.079 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000423113832 309386721 /nfs/dbraw/zinc/38/67/21/309386721.db2.gz ZHRKNIQJBXQCJZ-AUUYWEPGSA-N 2 1 346.906 3.456 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@H]2CCCC[C@H]2C[NH3+])[NH+](C)C)cc1 ZINC000423125135 309387152 /nfs/dbraw/zinc/38/71/52/309387152.db2.gz NASZPMDNFQSFEG-IHPCNDPISA-N 2 1 333.520 3.184 20 0 EGADMP COCCOCc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423136084 309387840 /nfs/dbraw/zinc/38/78/40/309387840.db2.gz GPRTVJMXNVWFDP-WOJBJXKFSA-N 2 1 326.440 3.084 20 0 EGADMP CC1(C)[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000423169752 309389026 /nfs/dbraw/zinc/38/90/26/309389026.db2.gz KKQQQXWVDFSHEG-KNJMJIDISA-N 2 1 328.500 3.173 20 0 EGADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cnn1-c1cccc(Cl)c1 ZINC000423211245 309390407 /nfs/dbraw/zinc/39/04/07/309390407.db2.gz KREDHFFDGBMQMY-DZGCQCFKSA-N 2 1 332.879 3.484 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)CCC2 ZINC000423215006 309390771 /nfs/dbraw/zinc/39/07/71/309390771.db2.gz MFPHLKLLSOQDLK-SOUVJXGZSA-N 2 1 334.460 3.120 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423232570 309391538 /nfs/dbraw/zinc/39/15/38/309391538.db2.gz INUXZTMXUMSNPS-BQJUDKOJSA-N 3 1 327.516 3.019 20 0 EGADMP C[C@H](N[C@H](C[NH3+])C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423272180 309393386 /nfs/dbraw/zinc/39/33/86/309393386.db2.gz YWXIAZWEYBDXFR-OXJNMPFZSA-N 2 1 333.520 3.185 20 0 EGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000423285699 309394097 /nfs/dbraw/zinc/39/40/97/309394097.db2.gz ZUYNFAQUFSSGIN-SMDDNHRTSA-N 2 1 327.266 3.108 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CC2C[NH2+]C2)cnn1-c1ccc(Cl)cc1Cl ZINC000423306794 309394596 /nfs/dbraw/zinc/39/45/96/309394596.db2.gz UVKCKPNSGZBHEI-SNVBAGLBSA-N 2 1 339.270 3.358 20 0 EGADMP C[N@H+]1CC[C@H](NC[C@H]2[NH2+]CCc3ccccc32)C[C@H]1c1ccccc1 ZINC000423426691 309399805 /nfs/dbraw/zinc/39/98/05/309399805.db2.gz NIHQGQRRAJCNCX-NNWRFLSQSA-N 2 1 335.495 3.299 20 0 EGADMP [NH3+]CC1CC[NH+](CC(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000430659344 309614041 /nfs/dbraw/zinc/61/40/41/309614041.db2.gz ZLNSYVWSTJPYMK-UHFFFAOYSA-N 2 1 339.439 3.088 20 0 EGADMP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000430940961 309621659 /nfs/dbraw/zinc/62/16/59/309621659.db2.gz SMVOPFMTIHPANF-GHMZBOCLSA-N 2 1 344.286 3.380 20 0 EGADMP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000430949230 309621909 /nfs/dbraw/zinc/62/19/09/309621909.db2.gz NAPXPYNMEAWPNX-CHWSQXEVSA-N 2 1 348.878 3.434 20 0 EGADMP CC1CCC(O)(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000434667646 309717012 /nfs/dbraw/zinc/71/70/12/309717012.db2.gz WQFJLNKQHFDYIR-UHFFFAOYSA-N 2 1 331.504 3.340 20 0 EGADMP C[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000448552473 310005995 /nfs/dbraw/zinc/00/59/95/310005995.db2.gz ZVQPHDFXUFIEPR-CTNGQTDRSA-N 2 1 329.532 3.315 20 0 EGADMP C[C@@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@H+](Cc2ccccc2)C1 ZINC000448552473 310005996 /nfs/dbraw/zinc/00/59/96/310005996.db2.gz ZVQPHDFXUFIEPR-CTNGQTDRSA-N 2 1 329.532 3.315 20 0 EGADMP C[C@@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@@H+](Cc2ccccc2)C1 ZINC000448552473 310005997 /nfs/dbraw/zinc/00/59/97/310005997.db2.gz ZVQPHDFXUFIEPR-CTNGQTDRSA-N 2 1 329.532 3.315 20 0 EGADMP Cc1cccc(CC[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000449014853 310029101 /nfs/dbraw/zinc/02/91/01/310029101.db2.gz ADOWSKJLVCLNFT-BGYRXZFFSA-N 2 1 329.532 3.028 20 0 EGADMP COCC[NH+]1CCC([NH2+]Cc2cc3ccccc3c(OC)c2)CC1 ZINC000449106257 310037570 /nfs/dbraw/zinc/03/75/70/310037570.db2.gz LNAIQQYBTCSEEL-UHFFFAOYSA-N 2 1 328.456 3.049 20 0 EGADMP COc1cc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc2ccccc21 ZINC000449150685 310040708 /nfs/dbraw/zinc/04/07/08/310040708.db2.gz SKSSPQONPMMIQL-IBGZPJMESA-N 2 1 342.483 3.175 20 0 EGADMP CO[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000449499863 310067238 /nfs/dbraw/zinc/06/72/38/310067238.db2.gz MKVCAKPSTGMTAN-LAUBAEHRSA-N 2 1 345.531 3.074 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CCCC[C@@H]3C)C2)CC1 ZINC000449512561 310068386 /nfs/dbraw/zinc/06/83/86/310068386.db2.gz ZYKRGKQZUYPADN-JBACZVJFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CCCC[C@@H]3C)C2)CC1 ZINC000449512561 310068387 /nfs/dbraw/zinc/06/83/87/310068387.db2.gz ZYKRGKQZUYPADN-JBACZVJFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@@H]3CCCC[C@@H]3C)C2)CC1 ZINC000449512561 310068388 /nfs/dbraw/zinc/06/83/88/310068388.db2.gz ZYKRGKQZUYPADN-JBACZVJFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@@H]3CCCC[C@@H]3C)C2)CC1 ZINC000449512561 310068389 /nfs/dbraw/zinc/06/83/89/310068389.db2.gz ZYKRGKQZUYPADN-JBACZVJFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)COC1 ZINC000449596895 310074645 /nfs/dbraw/zinc/07/46/45/310074645.db2.gz CPTWJIQFPCJCSM-XUVXKRRUSA-N 2 1 328.500 3.303 20 0 EGADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccncc1 ZINC000453063754 310255535 /nfs/dbraw/zinc/25/55/35/310255535.db2.gz HXNAPKXNBKDLGD-OAQYLSRUSA-N 2 1 338.499 3.070 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3cnccn3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453172461 310262206 /nfs/dbraw/zinc/26/22/06/310262206.db2.gz XWHWPTKGOHERNT-ACRUOGEOSA-N 2 1 336.483 3.052 20 0 EGADMP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453237359 310266039 /nfs/dbraw/zinc/26/60/39/310266039.db2.gz PUVRQHAAPFJHIM-OYNPSCLESA-N 2 1 330.516 3.428 20 0 EGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c1C ZINC000453393819 310274665 /nfs/dbraw/zinc/27/46/65/310274665.db2.gz GLVJEDCUZBPJHN-INIZCTEOSA-N 2 1 331.504 3.485 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CN(Cc2ccccc2)C1 ZINC000453590195 310283087 /nfs/dbraw/zinc/28/30/87/310283087.db2.gz AYMWJHCFBYBFTM-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(C[NH+](CC)C(C)C)cc1 ZINC000456345857 310399933 /nfs/dbraw/zinc/39/99/33/310399933.db2.gz IFIAIIAWFICGML-FQEVSTJZSA-N 2 1 345.531 3.473 20 0 EGADMP CC[C@H]1C[NH+](CC)CCN1C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000456345857 310399934 /nfs/dbraw/zinc/39/99/34/310399934.db2.gz IFIAIIAWFICGML-FQEVSTJZSA-N 2 1 345.531 3.473 20 0 EGADMP CC[C@H]1C[NH+](CC)CCN1C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000456345857 310399935 /nfs/dbraw/zinc/39/99/35/310399935.db2.gz IFIAIIAWFICGML-FQEVSTJZSA-N 2 1 345.531 3.473 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)C[NH+]2CCCCCC2)cc1OC ZINC000480678135 310899124 /nfs/dbraw/zinc/89/91/24/310899124.db2.gz SGTMLHSPWMECNY-DLBZAZTESA-N 2 1 334.504 3.489 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCCOC4)[C@H]3C2)cc1 ZINC000489936828 311126164 /nfs/dbraw/zinc/12/61/64/311126164.db2.gz SHTOCPXCAFKTAL-TUFLPTIASA-N 2 1 328.500 3.446 20 0 EGADMP CC(C)c1nnc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000492222607 311227793 /nfs/dbraw/zinc/22/77/93/311227793.db2.gz DWRCUYSTZDMOEU-UHFFFAOYSA-N 2 1 344.528 3.458 20 0 EGADMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccc(N2CCOC2=O)c1 ZINC000496074609 311657401 /nfs/dbraw/zinc/65/74/01/311657401.db2.gz ZNIIHUOZETWIDL-OAHLLOKOSA-N 2 1 331.460 3.346 20 0 EGADMP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000505611620 312028224 /nfs/dbraw/zinc/02/82/24/312028224.db2.gz MBDBIONPGHCWJU-HKUYNNGSSA-N 2 1 345.531 3.216 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000510928732 312151068 /nfs/dbraw/zinc/15/10/68/312151068.db2.gz BFXMQUVROTUOPE-MRXNPFEDSA-N 2 1 328.460 3.205 20 0 EGADMP CC(C)[N@@H+](C)CCN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512625251 312190503 /nfs/dbraw/zinc/19/05/03/312190503.db2.gz MMQHPPWQKMKLLG-PWRODBHTSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[NH+](C)CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512625251 312190505 /nfs/dbraw/zinc/19/05/05/312190505.db2.gz MMQHPPWQKMKLLG-PWRODBHTSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[NH+](C)CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512625251 312190506 /nfs/dbraw/zinc/19/05/06/312190506.db2.gz MMQHPPWQKMKLLG-PWRODBHTSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)N(C)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512625251 312190508 /nfs/dbraw/zinc/19/05/08/312190508.db2.gz MMQHPPWQKMKLLG-PWRODBHTSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)N(C)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512625251 312190509 /nfs/dbraw/zinc/19/05/09/312190509.db2.gz MMQHPPWQKMKLLG-PWRODBHTSA-N 3 1 329.532 3.217 20 0 EGADMP CC[N@@H+](CCN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512622924 312190723 /nfs/dbraw/zinc/19/07/23/312190723.db2.gz CRCDMQSBSCHXPY-KSEOMHKRSA-N 2 1 341.543 3.361 20 0 EGADMP CC[NH+](CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512622924 312190725 /nfs/dbraw/zinc/19/07/25/312190725.db2.gz CRCDMQSBSCHXPY-KSEOMHKRSA-N 3 1 341.543 3.361 20 0 EGADMP CC[NH+](CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512622924 312190729 /nfs/dbraw/zinc/19/07/29/312190729.db2.gz CRCDMQSBSCHXPY-KSEOMHKRSA-N 3 1 341.543 3.361 20 0 EGADMP CCN(CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512622924 312190732 /nfs/dbraw/zinc/19/07/32/312190732.db2.gz CRCDMQSBSCHXPY-KSEOMHKRSA-N 3 1 341.543 3.361 20 0 EGADMP CCN(CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512622924 312190734 /nfs/dbraw/zinc/19/07/34/312190734.db2.gz CRCDMQSBSCHXPY-KSEOMHKRSA-N 3 1 341.543 3.361 20 0 EGADMP CC[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513673735 312215197 /nfs/dbraw/zinc/21/51/97/312215197.db2.gz WLMYJJPPBSHBTI-UWHLTILDSA-N 2 1 330.516 3.428 20 0 EGADMP CC[NH+](CC)CCC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000514235565 312228571 /nfs/dbraw/zinc/22/85/71/312228571.db2.gz FIXWORUYCCDLPY-OALUTQOASA-N 3 1 331.548 3.465 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+](CC3(O)CCC(c4ccccc4)CC3)C2)C1 ZINC000528510588 313108273 /nfs/dbraw/zinc/10/82/73/313108273.db2.gz AVDVNWRVEIUSCU-KBWCOIMZSA-N 2 1 328.500 3.103 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](CC3(O)CCC(c4ccccc4)CC3)C2)C1 ZINC000528510588 313108277 /nfs/dbraw/zinc/10/82/77/313108277.db2.gz AVDVNWRVEIUSCU-KBWCOIMZSA-N 2 1 328.500 3.103 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+](CC3(O)CCC(c4ccccc4)CC3)C2)C1 ZINC000528510588 313108278 /nfs/dbraw/zinc/10/82/78/313108278.db2.gz AVDVNWRVEIUSCU-KBWCOIMZSA-N 2 1 328.500 3.103 20 0 EGADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccs1 ZINC000531932622 313732376 /nfs/dbraw/zinc/73/23/76/313732376.db2.gz YUMMFCRWRIVLFO-LSDHHAIUSA-N 2 1 335.542 3.449 20 0 EGADMP C[NH+](CCCC[N@H+](C)Cc1cccc(O)c1)Cc1cccc(O)c1 ZINC000536541847 314121738 /nfs/dbraw/zinc/12/17/38/314121738.db2.gz IARYOKYVURRDIO-UHFFFAOYSA-N 2 1 328.456 3.442 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccccc2Br)CC1 ZINC000537093909 314160923 /nfs/dbraw/zinc/16/09/23/314160923.db2.gz GLMOIXVSOYRIBR-ZDUSSCGKSA-N 2 1 325.294 3.454 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1 ZINC000537965934 314220357 /nfs/dbraw/zinc/22/03/57/314220357.db2.gz MKXVAZONEKJYEG-CVEARBPZSA-N 2 1 328.460 3.143 20 0 EGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000539065157 314294059 /nfs/dbraw/zinc/29/40/59/314294059.db2.gz PJKKFKSNDWRUHO-DBVUQKKJSA-N 2 1 346.515 3.422 20 0 EGADMP C[NH+](CCC(=O)NCCC[N@H+](C)C1CCCCC1)C1CCCCC1 ZINC000548388896 315002362 /nfs/dbraw/zinc/00/23/62/315002362.db2.gz CEPNMDVTPWSDMY-UHFFFAOYSA-N 2 1 337.552 3.412 20 0 EGADMP C[NH+](CCCNC(=O)CC[N@H+](C)C1CCCCC1)C1CCCCC1 ZINC000548388896 315002364 /nfs/dbraw/zinc/00/23/64/315002364.db2.gz CEPNMDVTPWSDMY-UHFFFAOYSA-N 2 1 337.552 3.412 20 0 EGADMP C[NH+](CCCNC(=O)CC[N@@H+](C)C1CCCCC1)C1CCCCC1 ZINC000548388896 315002366 /nfs/dbraw/zinc/00/23/66/315002366.db2.gz CEPNMDVTPWSDMY-UHFFFAOYSA-N 2 1 337.552 3.412 20 0 EGADMP C[C@@H]1C[C@H](CCNC(=O)CCCC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000548875929 315057645 /nfs/dbraw/zinc/05/76/45/315057645.db2.gz ZNRRSCKRSSUEKE-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)ccn1 ZINC000550886333 315137318 /nfs/dbraw/zinc/13/73/18/315137318.db2.gz OLJJKXCNZHSSHL-PKOBYXMFSA-N 2 1 339.483 3.305 20 0 EGADMP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)ccn1 ZINC000550886333 315137321 /nfs/dbraw/zinc/13/73/21/315137321.db2.gz OLJJKXCNZHSSHL-PKOBYXMFSA-N 2 1 339.483 3.305 20 0 EGADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000554377602 315313652 /nfs/dbraw/zinc/31/36/52/315313652.db2.gz QYAQMWAFNRPZMX-PLACYPQZSA-N 2 1 330.516 3.141 20 0 EGADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1Oc1ccncc1 ZINC000554795429 315349302 /nfs/dbraw/zinc/34/93/02/315349302.db2.gz DTQGQMRVKOGCFH-KSSFIOAISA-N 2 1 337.423 3.086 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](C[C@H](C)C2CCCCC2)CC1 ZINC000555524854 315387730 /nfs/dbraw/zinc/38/77/30/315387730.db2.gz RDJXTNOLOOGFOP-SFHVURJKSA-N 2 1 340.552 3.262 20 0 EGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)CC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000555559129 315390379 /nfs/dbraw/zinc/39/03/79/315390379.db2.gz IBIMULJZFLPTLB-QZTJIDSGSA-N 2 1 345.531 3.497 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCCCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000563759761 316065925 /nfs/dbraw/zinc/06/59/25/316065925.db2.gz UEVSXAHDIBVAND-UYAOXDASSA-N 2 1 326.488 3.306 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCCCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000563759761 316065929 /nfs/dbraw/zinc/06/59/29/316065929.db2.gz UEVSXAHDIBVAND-UYAOXDASSA-N 2 1 326.488 3.306 20 0 EGADMP CC(C)OCC[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000563806141 316071929 /nfs/dbraw/zinc/07/19/29/316071929.db2.gz OMSCQQXCMWSXPQ-RXVVDRJESA-N 2 1 348.531 3.184 20 0 EGADMP COC(=O)C(C)(C)CC[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000564069599 316108783 /nfs/dbraw/zinc/10/87/83/316108783.db2.gz RUCAEASYQKTYRO-LJQANCHMSA-N 2 1 346.515 3.468 20 0 EGADMP C[NH+]1CCN([C@H](C[NH2+][C@H](C2CC2)C2CCC2)c2cccs2)CC1 ZINC000564292219 316131466 /nfs/dbraw/zinc/13/14/66/316131466.db2.gz WKYHNSYUVGAPAF-MJGOQNOKSA-N 2 1 333.545 3.205 20 0 EGADMP Cc1ccncc1CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000564382521 316144528 /nfs/dbraw/zinc/14/45/28/316144528.db2.gz UCRYAAZBTRJTBS-SZPZYZBQSA-N 3 1 335.495 3.386 20 0 EGADMP Cc1ccncc1CCC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000564382521 316144531 /nfs/dbraw/zinc/14/45/31/316144531.db2.gz UCRYAAZBTRJTBS-SZPZYZBQSA-N 3 1 335.495 3.386 20 0 EGADMP Cc1ccncc1CCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000564382521 316144534 /nfs/dbraw/zinc/14/45/34/316144534.db2.gz UCRYAAZBTRJTBS-SZPZYZBQSA-N 3 1 335.495 3.386 20 0 EGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000565159537 316278091 /nfs/dbraw/zinc/27/80/91/316278091.db2.gz ZFGCVMXSJCMCEL-RRQGHBQHSA-N 2 1 344.421 3.401 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000565159537 316278093 /nfs/dbraw/zinc/27/80/93/316278093.db2.gz ZFGCVMXSJCMCEL-RRQGHBQHSA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000565159537 316278096 /nfs/dbraw/zinc/27/80/96/316278096.db2.gz ZFGCVMXSJCMCEL-RRQGHBQHSA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000565159537 316278098 /nfs/dbraw/zinc/27/80/98/316278098.db2.gz ZFGCVMXSJCMCEL-RRQGHBQHSA-N 2 1 344.421 3.401 20 0 EGADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000570360059 317044958 /nfs/dbraw/zinc/04/49/58/317044958.db2.gz KGMXNGPUNAIMBJ-QWHCGFSZSA-N 2 1 343.284 3.451 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(C)c1 ZINC000570606624 317080722 /nfs/dbraw/zinc/08/07/22/317080722.db2.gz XQLBFMATAFUQJB-ROUUACIJSA-N 2 1 331.504 3.340 20 0 EGADMP C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000570772824 317104697 /nfs/dbraw/zinc/10/46/97/317104697.db2.gz WGPFUFYTPYEKHK-QGZVFWFLSA-N 2 1 329.488 3.341 20 0 EGADMP FC(F)(F)c1ccccc1OCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000570964271 317133569 /nfs/dbraw/zinc/13/35/69/317133569.db2.gz HFSDHLOPHYFVJM-LSDHHAIUSA-N 2 1 342.405 3.406 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3c(C)cccc3F)CC2)CC1 ZINC000571534361 317213443 /nfs/dbraw/zinc/21/34/43/317213443.db2.gz GGBNXMYWEGKRJH-UHFFFAOYSA-N 2 1 347.478 3.269 20 0 EGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000571770156 317245548 /nfs/dbraw/zinc/24/55/48/317245548.db2.gz NZRVECAKGHJOSM-DZGCQCFKSA-N 2 1 345.409 3.423 20 0 EGADMP Cc1ccc([C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C2CCC2)cc1 ZINC000572474896 317343960 /nfs/dbraw/zinc/34/39/60/317343960.db2.gz CSIIHLXFMZDUDA-IBGZPJMESA-N 2 1 339.487 3.211 20 0 EGADMP CC(C)O[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000248827346 455732795 /nfs/dbraw/zinc/73/27/95/455732795.db2.gz MCSRHANEZVJMAB-XMTFNYHQSA-N 2 1 326.525 3.058 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000261858238 455959822 /nfs/dbraw/zinc/95/98/22/455959822.db2.gz FOMYEEDXNNCKNJ-VXGBXAGGSA-N 2 1 344.286 3.381 20 0 EGADMP CCC[C@@H](C(=O)OCC)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179393570 323385684 /nfs/dbraw/zinc/38/56/84/323385684.db2.gz PYRDRZYHSODVLG-IBGZPJMESA-N 2 1 347.503 3.352 20 0 EGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000183377721 323612392 /nfs/dbraw/zinc/61/23/92/323612392.db2.gz CKJZUZBRRJMGCT-DLBZAZTESA-N 2 1 348.487 3.011 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000379747862 324241759 /nfs/dbraw/zinc/24/17/59/324241759.db2.gz ZDXITDRXRMIKLT-QGZVFWFLSA-N 2 1 328.431 3.446 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000379747862 324241765 /nfs/dbraw/zinc/24/17/65/324241765.db2.gz ZDXITDRXRMIKLT-QGZVFWFLSA-N 2 1 328.431 3.446 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000379747861 324241868 /nfs/dbraw/zinc/24/18/68/324241868.db2.gz ZDXITDRXRMIKLT-KRWDZBQOSA-N 2 1 328.431 3.446 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000379747861 324241873 /nfs/dbraw/zinc/24/18/73/324241873.db2.gz ZDXITDRXRMIKLT-KRWDZBQOSA-N 2 1 328.431 3.446 20 0 EGADMP C[C@H]([NH2+]Cc1cccc2c1OCO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000385661651 324262209 /nfs/dbraw/zinc/26/22/09/324262209.db2.gz CGVQXMPUVPKREL-LPHOPBHVSA-N 2 1 338.451 3.416 20 0 EGADMP C[C@H]([NH2+]Cc1cccc2c1OCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000385661651 324262214 /nfs/dbraw/zinc/26/22/14/324262214.db2.gz CGVQXMPUVPKREL-LPHOPBHVSA-N 2 1 338.451 3.416 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495122361 324377280 /nfs/dbraw/zinc/37/72/80/324377280.db2.gz KCKYNUAQRMAHKT-IAGOWNOFSA-N 2 1 339.524 3.098 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3C[C@@]3(CC)C(C)C)CC2)CC1 ZINC000579373608 325102620 /nfs/dbraw/zinc/10/26/20/325102620.db2.gz ZSHFUSQGQCDRAK-CTNGQTDRSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1cnccc1C[NH2+]CC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000580281104 325227193 /nfs/dbraw/zinc/22/71/93/325227193.db2.gz LMURXGYGRUUNBN-GOSISDBHSA-N 2 1 339.483 3.380 20 0 EGADMP CCOC(=O)C1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000580363513 325239214 /nfs/dbraw/zinc/23/92/14/325239214.db2.gz BTTXANOZBWRPDT-HKUYNNGSSA-N 2 1 344.499 3.220 20 0 EGADMP CCOC(=O)C1(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000580363514 325239546 /nfs/dbraw/zinc/23/95/46/325239546.db2.gz BTTXANOZBWRPDT-IEBWSBKVSA-N 2 1 344.499 3.220 20 0 EGADMP C[N@H+]1CCC[C@]2(CCN(CCOc3ccc(F)cc3Cl)C2)C1 ZINC000339436042 457118215 /nfs/dbraw/zinc/11/82/15/457118215.db2.gz BTPRYRSUPIRGOA-KRWDZBQOSA-N 2 1 326.843 3.276 20 0 EGADMP Fc1ccc(-c2noc(CCC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000183177526 455244697 /nfs/dbraw/zinc/24/46/97/455244697.db2.gz HAWHQSZAYOCAJI-DLBZAZTESA-N 2 1 344.434 3.025 20 0 EGADMP CC(C)(C)[C@@H](CCO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000158000524 455258188 /nfs/dbraw/zinc/25/81/88/455258188.db2.gz NJFPFJRSHLCMPN-LJQANCHMSA-N 2 1 336.495 3.219 20 0 EGADMP CC(C)c1ccccc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158926743 455337687 /nfs/dbraw/zinc/33/76/87/455337687.db2.gz SIDMMNREBCXDDE-VQIMIIECSA-N 2 1 329.488 3.165 20 0 EGADMP Cc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000181412359 455331116 /nfs/dbraw/zinc/33/11/16/455331116.db2.gz STBAXMFSEQFPKI-COXVUDFISA-N 2 1 337.533 3.178 20 0 EGADMP Cc1cc2ncc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]3CCCCC3)c(C)n2n1 ZINC000184500811 455391384 /nfs/dbraw/zinc/39/13/84/455391384.db2.gz VXHKGNHNBCADHO-HZPDHXFCSA-N 2 1 329.492 3.261 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)cc(C)c1 ZINC000076330791 453989233 /nfs/dbraw/zinc/98/92/33/453989233.db2.gz MVVALVAUPKQZOC-IBGZPJMESA-N 2 1 346.519 3.183 20 0 EGADMP COc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000085792433 454038522 /nfs/dbraw/zinc/03/85/22/454038522.db2.gz YNKVDRZCHJWAPH-UHFFFAOYSA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+]1CCC([N@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000077249780 454082223 /nfs/dbraw/zinc/08/22/23/454082223.db2.gz ULRWNFGAPLZCKP-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000077249780 454082225 /nfs/dbraw/zinc/08/22/25/454082225.db2.gz ULRWNFGAPLZCKP-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)CCc2nc(-c3ccccc3)no2)CC1 ZINC000077285198 454085704 /nfs/dbraw/zinc/08/57/04/454085704.db2.gz DKJGJMCJHKUMDO-UHFFFAOYSA-N 2 1 328.460 3.085 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)CCc2nc(-c3ccccc3)no2)CC1 ZINC000077285198 454085706 /nfs/dbraw/zinc/08/57/06/454085706.db2.gz DKJGJMCJHKUMDO-UHFFFAOYSA-N 2 1 328.460 3.085 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000089427128 454147738 /nfs/dbraw/zinc/14/77/38/454147738.db2.gz DUDBUYOIKJFACX-NRFANRHFSA-N 3 1 329.532 3.315 20 0 EGADMP C[NH+](Cc1ccccc1)CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000089427128 454147742 /nfs/dbraw/zinc/14/77/42/454147742.db2.gz DUDBUYOIKJFACX-NRFANRHFSA-N 3 1 329.532 3.315 20 0 EGADMP C[NH+](Cc1ccccc1)CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000089427128 454147745 /nfs/dbraw/zinc/14/77/45/454147745.db2.gz DUDBUYOIKJFACX-NRFANRHFSA-N 3 1 329.532 3.315 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC1CCN(CC[C@@H]2CCC[NH+]2C)CC1 ZINC000089427128 454147749 /nfs/dbraw/zinc/14/77/49/454147749.db2.gz DUDBUYOIKJFACX-NRFANRHFSA-N 2 1 329.532 3.315 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CCN(CC[C@@H]2CCC[NH+]2C)CC1 ZINC000089427128 454147752 /nfs/dbraw/zinc/14/77/52/454147752.db2.gz DUDBUYOIKJFACX-NRFANRHFSA-N 2 1 329.532 3.315 20 0 EGADMP C[NH+](Cc1ccccc1)CC1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000089427128 454147756 /nfs/dbraw/zinc/14/77/56/454147756.db2.gz DUDBUYOIKJFACX-NRFANRHFSA-N 2 1 329.532 3.315 20 0 EGADMP C[NH+](Cc1ccccc1)CC1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000089427128 454147760 /nfs/dbraw/zinc/14/77/60/454147760.db2.gz DUDBUYOIKJFACX-NRFANRHFSA-N 2 1 329.532 3.315 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000057833886 454150587 /nfs/dbraw/zinc/15/05/87/454150587.db2.gz DVAHLQHAEYSNOQ-FQEVSTJZSA-N 2 1 345.531 3.308 20 0 EGADMP C[C@H](Cc1ccc(F)cc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594531 454164946 /nfs/dbraw/zinc/16/49/46/454164946.db2.gz NIUSBQFTRJGLAJ-QGZVFWFLSA-N 2 1 334.479 3.381 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000090044593 454265812 /nfs/dbraw/zinc/26/58/12/454265812.db2.gz BHOXZBXGJFLTEO-FMKPAKJESA-N 2 1 330.501 3.066 20 0 EGADMP Fc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@H](CN3CCOCC3)C1)CCC2 ZINC000132819378 454368351 /nfs/dbraw/zinc/36/83/51/454368351.db2.gz BPRMLSVDDZJFJU-UZLBHIALSA-N 2 1 332.463 3.247 20 0 EGADMP COc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OC(F)F ZINC000073381050 454429652 /nfs/dbraw/zinc/42/96/52/454429652.db2.gz NPBMNGGYKIZTPH-UHFFFAOYSA-N 2 1 326.387 3.013 20 0 EGADMP CC(C)[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000063619114 454430465 /nfs/dbraw/zinc/43/04/65/454430465.db2.gz IKLMXPGQPNJSTM-HXUWFJFHSA-N 2 1 343.515 3.019 20 0 EGADMP CCCC[N@H+](C)CC1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000073639846 454461865 /nfs/dbraw/zinc/46/18/65/454461865.db2.gz IJJQFLAJRFOUAJ-UHFFFAOYSA-N 2 1 348.535 3.367 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000073639846 454461869 /nfs/dbraw/zinc/46/18/69/454461869.db2.gz IJJQFLAJRFOUAJ-UHFFFAOYSA-N 2 1 348.535 3.367 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](CCNC1CC[NH+](C3CCCCC3)CC1)C2 ZINC000121727573 454469529 /nfs/dbraw/zinc/46/95/29/454469529.db2.gz VYJJXAWGOVQTNM-UHFFFAOYSA-N 2 1 341.543 3.431 20 0 EGADMP c1ccc2c(c1)CC[N@H+](CCNC1CC[NH+](C3CCCCC3)CC1)C2 ZINC000121727573 454469535 /nfs/dbraw/zinc/46/95/35/454469535.db2.gz VYJJXAWGOVQTNM-UHFFFAOYSA-N 2 1 341.543 3.431 20 0 EGADMP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869577 454601315 /nfs/dbraw/zinc/60/13/15/454601315.db2.gz ADECINAETWRNEN-YLJYHZDGSA-N 2 1 341.499 3.272 20 0 EGADMP Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869577 454601316 /nfs/dbraw/zinc/60/13/16/454601316.db2.gz ADECINAETWRNEN-YLJYHZDGSA-N 2 1 341.499 3.272 20 0 EGADMP Cc1ccccc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134869577 454601318 /nfs/dbraw/zinc/60/13/18/454601318.db2.gz ADECINAETWRNEN-YLJYHZDGSA-N 2 1 341.499 3.272 20 0 EGADMP Cc1ccccc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134869577 454601321 /nfs/dbraw/zinc/60/13/21/454601321.db2.gz ADECINAETWRNEN-YLJYHZDGSA-N 2 1 341.499 3.272 20 0 EGADMP COc1cccc([C@@H](CNC(=[NH2+])Nc2ccccc2)[NH+]2CCCC2)c1 ZINC000066242379 454671362 /nfs/dbraw/zinc/67/13/62/454671362.db2.gz XKDHKPHLHCKBPT-LJQANCHMSA-N 2 1 338.455 3.469 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161797925 454724537 /nfs/dbraw/zinc/72/45/37/454724537.db2.gz WRUKZTBUIMNBCA-UHFFFAOYSA-N 2 1 332.488 3.302 20 0 EGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc2c(c1)CCC2 ZINC000124375551 454726114 /nfs/dbraw/zinc/72/61/14/454726114.db2.gz LBDXIXXWJAVKHB-QGZVFWFLSA-N 2 1 329.532 3.100 20 0 EGADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(F)ccc1F ZINC000124378411 454726376 /nfs/dbraw/zinc/72/63/76/454726376.db2.gz LCGBHGFVYUMFMA-IBGZPJMESA-N 2 1 339.474 3.279 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCCC2)CC[N@H+]1C ZINC000153027072 454753510 /nfs/dbraw/zinc/75/35/10/454753510.db2.gz WGIBINUPBJKMOQ-HZPDHXFCSA-N 2 1 339.524 3.286 20 0 EGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCCc3c2cnn3C)CC1 ZINC000162162316 454755747 /nfs/dbraw/zinc/75/57/47/454755747.db2.gz NXKAEOKHZSBADE-FQEVSTJZSA-N 2 1 338.499 3.360 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000124687977 454760861 /nfs/dbraw/zinc/76/08/61/454760861.db2.gz DSUNOAMJWIFKFP-HXGPAPNJSA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124687977 454760865 /nfs/dbraw/zinc/76/08/65/454760865.db2.gz DSUNOAMJWIFKFP-HXGPAPNJSA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124687977 454760869 /nfs/dbraw/zinc/76/08/69/454760869.db2.gz DSUNOAMJWIFKFP-HXGPAPNJSA-N 2 1 329.532 3.215 20 0 EGADMP Cc1cc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000153117179 454762147 /nfs/dbraw/zinc/76/21/47/454762147.db2.gz FHUWNWQUJZPZCQ-IAGOWNOFSA-N 2 1 331.847 3.024 20 0 EGADMP Cc1cccc(C)c1NC(=O)CCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000137587808 454782923 /nfs/dbraw/zinc/78/29/23/454782923.db2.gz LZJLEAFIJCTGEF-IBGZPJMESA-N 2 1 343.515 3.440 20 0 EGADMP CCOc1ccccc1NC(=O)CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000137693110 454783732 /nfs/dbraw/zinc/78/37/32/454783732.db2.gz GHXLXGBBGXJFMV-QGZVFWFLSA-N 2 1 347.503 3.220 20 0 EGADMP COc1ccccc1[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCCC1 ZINC000153367404 454786830 /nfs/dbraw/zinc/78/68/30/454786830.db2.gz OCAPAWGROOCEQG-LFGUQSLTSA-N 2 1 345.531 3.150 20 0 EGADMP C[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000138088269 454788284 /nfs/dbraw/zinc/78/82/84/454788284.db2.gz JVGGGQVAGNXXHA-ROUUACIJSA-N 2 1 326.488 3.436 20 0 EGADMP C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000138082782 454788818 /nfs/dbraw/zinc/78/88/18/454788818.db2.gz IRFWHKFXWPWZEU-MSOLQXFVSA-N 2 1 326.488 3.293 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000266861962 455465253 /nfs/dbraw/zinc/46/52/53/455465253.db2.gz VAMXGHYYKVMANW-MSOLQXFVSA-N 2 1 333.520 3.134 20 0 EGADMP CC(C)N1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1=O ZINC000177426396 454862347 /nfs/dbraw/zinc/86/23/47/454862347.db2.gz UMZRCUQXOXPFLX-YLJYHZDGSA-N 2 1 343.515 3.017 20 0 EGADMP CC(C)n1ccnc1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177510684 454872044 /nfs/dbraw/zinc/87/20/44/454872044.db2.gz HMOKMHIQFZFTSU-ROUUACIJSA-N 2 1 348.535 3.175 20 0 EGADMP CSCC[C@@H]([NH3+])C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000165343769 454899219 /nfs/dbraw/zinc/89/92/19/454899219.db2.gz DNDRCXIHMSDWPM-MRXNPFEDSA-N 2 1 346.500 3.074 20 0 EGADMP Cc1ccc(CC[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000154540524 454905550 /nfs/dbraw/zinc/90/55/50/454905550.db2.gz RMPQGLJSRRMGAA-BGYRXZFFSA-N 2 1 329.532 3.028 20 0 EGADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000154560521 454907335 /nfs/dbraw/zinc/90/73/35/454907335.db2.gz WGMXMHJLUBXRRL-CABCVRRESA-N 2 1 327.513 3.142 20 0 EGADMP CCOc1cccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1OC(F)F ZINC000126664169 454909856 /nfs/dbraw/zinc/90/98/56/454909856.db2.gz FITPQWPMSXVACL-LSDHHAIUSA-N 2 1 340.414 3.403 20 0 EGADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177869786 454914207 /nfs/dbraw/zinc/91/42/07/454914207.db2.gz JYWAEDULMQJBFD-VQIMIIECSA-N 2 1 326.488 3.186 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc3cccnc32)C[C@H](C)O1 ZINC000126817355 454920417 /nfs/dbraw/zinc/92/04/17/454920417.db2.gz BBPSBBSPRBYPOK-CALCHBBNSA-N 2 1 327.472 3.214 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000168640902 454926913 /nfs/dbraw/zinc/92/69/13/454926913.db2.gz NIKMAINPTNYCLT-SCTDSRPQSA-N 2 1 345.531 3.339 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000113516115 454928160 /nfs/dbraw/zinc/92/81/60/454928160.db2.gz YLPYRLDICZJNMP-GOSISDBHSA-N 2 1 325.456 3.044 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000113516115 454928165 /nfs/dbraw/zinc/92/81/65/454928165.db2.gz YLPYRLDICZJNMP-GOSISDBHSA-N 2 1 325.456 3.044 20 0 EGADMP COCc1ccc(CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)o1 ZINC000126997085 454931449 /nfs/dbraw/zinc/93/14/49/454931449.db2.gz LVIQUQZGPBPZMC-SFHVURJKSA-N 2 1 328.456 3.080 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)CC1 ZINC000191502219 455492500 /nfs/dbraw/zinc/49/25/00/455492500.db2.gz VQWCXTMNLSWTEN-AZUAARDMSA-N 2 1 347.522 3.420 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C2CCCCC2)CC1 ZINC000114455422 454955591 /nfs/dbraw/zinc/95/55/91/454955591.db2.gz WATYPOKFHRUGKL-LJQANCHMSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cc([C@H](C)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(C)s1 ZINC000151770897 455028595 /nfs/dbraw/zinc/02/85/95/455028595.db2.gz WUFOZTVDDYRBMS-HNAYVOBHSA-N 2 1 344.524 3.435 20 0 EGADMP C[C@@H]1C[N@H+](CC2CCN(Cc3ccc(F)c(F)c3)CC2)C[C@H](C)O1 ZINC000171307192 455060235 /nfs/dbraw/zinc/06/02/35/455060235.db2.gz CQCYQMZRXZZCKH-GASCZTMLSA-N 2 1 338.442 3.286 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C[C@H](C)O1 ZINC000171307192 455060240 /nfs/dbraw/zinc/06/02/40/455060240.db2.gz CQCYQMZRXZZCKH-GASCZTMLSA-N 2 1 338.442 3.286 20 0 EGADMP C[C@H](CC[NH2+][C@H]1CCCc2c1cnn2C)[N@H+](C)Cc1ccccc1 ZINC000156230398 455095308 /nfs/dbraw/zinc/09/53/08/455095308.db2.gz LAQOYHFUVDRSCS-APWZRJJASA-N 2 1 326.488 3.298 20 0 EGADMP C[C@H](CC[NH2+][C@H]1CCCc2c1cnn2C)[N@@H+](C)Cc1ccccc1 ZINC000156230398 455095311 /nfs/dbraw/zinc/09/53/11/455095311.db2.gz LAQOYHFUVDRSCS-APWZRJJASA-N 2 1 326.488 3.298 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129279951 455104532 /nfs/dbraw/zinc/10/45/32/455104532.db2.gz NESNMIKPUJGJIH-JKSUJKDBSA-N 2 1 335.458 3.115 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccnc(OCc2ccccc2)c1 ZINC000156324746 455104714 /nfs/dbraw/zinc/10/47/14/455104714.db2.gz ZDNWTHYFYFVRHB-FUHIMQAGSA-N 2 1 339.483 3.479 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000156324746 455104719 /nfs/dbraw/zinc/10/47/19/455104719.db2.gz ZDNWTHYFYFVRHB-FUHIMQAGSA-N 2 1 339.483 3.479 20 0 EGADMP COc1ccc(OCCC[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000156417182 455115881 /nfs/dbraw/zinc/11/58/81/455115881.db2.gz ITCMSUIJOHNJMV-LPHOPBHVSA-N 2 1 329.444 3.244 20 0 EGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000623656893 460664045 /nfs/dbraw/zinc/66/40/45/460664045.db2.gz FCLQRSOUSWFPCM-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000623656893 460664046 /nfs/dbraw/zinc/66/40/46/460664046.db2.gz FCLQRSOUSWFPCM-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP COc1ccc([C@H](CN[C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000156646098 455141089 /nfs/dbraw/zinc/14/10/89/455141089.db2.gz YXFOXFIKUODBDI-SEONNTABSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172416709 455152354 /nfs/dbraw/zinc/15/23/54/455152354.db2.gz WOPNQWVGVVUOGV-UHFFFAOYSA-N 2 1 337.552 3.366 20 0 EGADMP CCCCNC(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156944966 455158241 /nfs/dbraw/zinc/15/82/41/455158241.db2.gz JXHHDUSXFPBJNJ-UYAOXDASSA-N 2 1 345.531 3.278 20 0 EGADMP CCCCNC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156944966 455158242 /nfs/dbraw/zinc/15/82/42/455158242.db2.gz JXHHDUSXFPBJNJ-UYAOXDASSA-N 2 1 345.531 3.278 20 0 EGADMP CCCCNC(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156944966 455158244 /nfs/dbraw/zinc/15/82/44/455158244.db2.gz JXHHDUSXFPBJNJ-UYAOXDASSA-N 2 1 345.531 3.278 20 0 EGADMP CCCCNC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156944966 455158246 /nfs/dbraw/zinc/15/82/46/455158246.db2.gz JXHHDUSXFPBJNJ-UYAOXDASSA-N 2 1 345.531 3.278 20 0 EGADMP C[C@H]1C[C@@H]([N@@H+](C)CCCc2cnn(C)c2)CCN1Cc1ccccc1 ZINC000156970779 455159461 /nfs/dbraw/zinc/15/94/61/455159461.db2.gz NFJXHBXQAKRBPO-RXVVDRJESA-N 2 1 340.515 3.338 20 0 EGADMP C[C@H]1C[C@@H]([NH+](C)CCCc2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000156970779 455159463 /nfs/dbraw/zinc/15/94/63/455159463.db2.gz NFJXHBXQAKRBPO-RXVVDRJESA-N 2 1 340.515 3.338 20 0 EGADMP C[C@H]1C[C@@H]([NH+](C)CCCc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000156970779 455159465 /nfs/dbraw/zinc/15/94/65/455159465.db2.gz NFJXHBXQAKRBPO-RXVVDRJESA-N 2 1 340.515 3.338 20 0 EGADMP C[C@H]1C[C@@H]([N@H+](C)CCCc2cnn(C)c2)CC[NH+]1Cc1ccccc1 ZINC000156970779 455159466 /nfs/dbraw/zinc/15/94/66/455159466.db2.gz NFJXHBXQAKRBPO-RXVVDRJESA-N 2 1 340.515 3.338 20 0 EGADMP C[C@H]1C[C@@H]([N@@H+](C)CCCc2cnn(C)c2)CC[NH+]1Cc1ccccc1 ZINC000156970779 455159468 /nfs/dbraw/zinc/15/94/68/455159468.db2.gz NFJXHBXQAKRBPO-RXVVDRJESA-N 2 1 340.515 3.338 20 0 EGADMP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182819720 455171705 /nfs/dbraw/zinc/17/17/05/455171705.db2.gz YMBIELGZOCBPMS-APWZRJJASA-N 2 1 343.515 3.131 20 0 EGADMP CC(C)[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000263964955 455174083 /nfs/dbraw/zinc/17/40/83/455174083.db2.gz RETZCBYARSVGFV-MRXNPFEDSA-N 2 1 349.544 3.150 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3csc(C[NH3+])n3)cc2)C1 ZINC000237479481 455188380 /nfs/dbraw/zinc/18/83/80/455188380.db2.gz BLKPFHCZAGWYBP-CYBMUJFWSA-N 2 1 344.484 3.086 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3csc(C[NH3+])n3)cc2)C1 ZINC000237479481 455188383 /nfs/dbraw/zinc/18/83/83/455188383.db2.gz BLKPFHCZAGWYBP-CYBMUJFWSA-N 2 1 344.484 3.086 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000237520013 455191609 /nfs/dbraw/zinc/19/16/09/455191609.db2.gz ZULXUFNJIDUKDJ-MAUKXSAKSA-N 2 1 331.504 3.051 20 0 EGADMP C[C@@H](CCNC(=O)C[C@@H]([NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000237560087 455194078 /nfs/dbraw/zinc/19/40/78/455194078.db2.gz WICURCQDJAYDAO-FXAWDEMLSA-N 2 1 339.483 3.103 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC3CC[NH2+]CC3)cc2)C1 ZINC000237675632 455206071 /nfs/dbraw/zinc/20/60/71/455206071.db2.gz PYLJYVZPBAAGJP-INIZCTEOSA-N 2 1 329.488 3.247 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000157662335 455218640 /nfs/dbraw/zinc/21/86/40/455218640.db2.gz GAPBTCWPVPUFOA-BBTUJRGHSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000157662335 455218645 /nfs/dbraw/zinc/21/86/45/455218645.db2.gz GAPBTCWPVPUFOA-BBTUJRGHSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000157662335 455218651 /nfs/dbraw/zinc/21/86/51/455218651.db2.gz GAPBTCWPVPUFOA-BBTUJRGHSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000157662335 455218656 /nfs/dbraw/zinc/21/86/56/455218656.db2.gz GAPBTCWPVPUFOA-BBTUJRGHSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000157662335 455218660 /nfs/dbraw/zinc/21/86/60/455218660.db2.gz GAPBTCWPVPUFOA-BBTUJRGHSA-N 2 1 329.532 3.491 20 0 EGADMP CC[N@@H+](C)C[C@H]1CCN([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000245500102 455315565 /nfs/dbraw/zinc/31/55/65/455315565.db2.gz ZMZRHSKDTLHVOS-HZPDHXFCSA-N 2 1 328.460 3.380 20 0 EGADMP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000173616186 455316767 /nfs/dbraw/zinc/31/67/67/455316767.db2.gz ISLIZUYGOPVZMQ-SJORKVTESA-N 2 1 345.531 3.277 20 0 EGADMP CN(C(=O)C[C@@H]1C=CCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245737280 455369504 /nfs/dbraw/zinc/36/95/04/455369504.db2.gz TYXHMSWRNUBONY-RLLQIKCJSA-N 2 1 347.547 3.138 20 0 EGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000190956237 455414253 /nfs/dbraw/zinc/41/42/53/455414253.db2.gz ONECEPSTTMJTLN-QGZVFWFLSA-N 2 1 344.421 3.340 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCC(=O)OCc1ccccc1 ZINC000182277567 455478509 /nfs/dbraw/zinc/47/85/09/455478509.db2.gz DXLFFQMSBZEIKV-ZHALLVOQSA-N 2 1 332.488 3.218 20 0 EGADMP CCCn1ccnc1CCC[N@@H+](C)CC(=O)Nc1ccc(C)c(C)c1 ZINC000191488590 455490180 /nfs/dbraw/zinc/49/01/80/455490180.db2.gz MQZPYHIQWOIJBX-UHFFFAOYSA-N 2 1 342.487 3.413 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(C)c(C)c1 ZINC000191488590 455490193 /nfs/dbraw/zinc/49/01/93/455490193.db2.gz MQZPYHIQWOIJBX-UHFFFAOYSA-N 2 1 342.487 3.413 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)cn1 ZINC000185202243 455520863 /nfs/dbraw/zinc/52/08/63/455520863.db2.gz ZEMDRBIHFUVDPU-DLBZAZTESA-N 2 1 328.460 3.257 20 0 EGADMP C[C@@H](CNC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC000246976436 455540134 /nfs/dbraw/zinc/54/01/34/455540134.db2.gz KQAXAVDLLUSSQV-JENIJYKNSA-N 2 1 347.547 3.251 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC[N@H+]1C ZINC000247037077 455549606 /nfs/dbraw/zinc/54/96/06/455549606.db2.gz LNKPSNUFJLEIOI-BPQIPLTHSA-N 2 1 347.503 3.325 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cnn(C(C)C)c2)[C@H](C)C1 ZINC000247118916 455561646 /nfs/dbraw/zinc/56/16/46/455561646.db2.gz AIVXUICPFOVGCC-LMMKCTJWSA-N 2 1 336.524 3.252 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cnn(C(C)C)c2)[C@H](C)C1 ZINC000247118916 455561648 /nfs/dbraw/zinc/56/16/48/455561648.db2.gz AIVXUICPFOVGCC-LMMKCTJWSA-N 2 1 336.524 3.252 20 0 EGADMP COc1cc(C[N@H+](CCCCn2cc[nH+]c2C)C2CC2)ccc1O ZINC000161545007 455579862 /nfs/dbraw/zinc/57/98/62/455579862.db2.gz VNWQHEMIEXFPNJ-UHFFFAOYSA-N 2 1 329.444 3.351 20 0 EGADMP COc1cc(C[N@@H+](CCCCn2cc[nH+]c2C)C2CC2)ccc1O ZINC000161545007 455579867 /nfs/dbraw/zinc/57/98/67/455579867.db2.gz VNWQHEMIEXFPNJ-UHFFFAOYSA-N 2 1 329.444 3.351 20 0 EGADMP CC(C)[NH+](CCCN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000247267560 455580943 /nfs/dbraw/zinc/58/09/43/455580943.db2.gz ZRDFPYZBBPCXBP-PZJWPPBQSA-N 2 1 346.563 3.391 20 0 EGADMP CC(C)[NH+](CCCN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000247267560 455580946 /nfs/dbraw/zinc/58/09/46/455580946.db2.gz ZRDFPYZBBPCXBP-PZJWPPBQSA-N 2 1 346.563 3.391 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(OC)c2)[C@@H](C)C1 ZINC000247332129 455588898 /nfs/dbraw/zinc/58/88/98/455588898.db2.gz MQPNNBMIWNRHRA-QKLQHJQFSA-N 2 1 334.504 3.483 20 0 EGADMP CCN(C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1CCCCC1 ZINC000185660327 455591387 /nfs/dbraw/zinc/59/13/87/455591387.db2.gz VFQHLKMVYSTLCW-QZTJIDSGSA-N 2 1 349.563 3.410 20 0 EGADMP CCN(C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CCCCC1 ZINC000185660327 455591389 /nfs/dbraw/zinc/59/13/89/455591389.db2.gz VFQHLKMVYSTLCW-QZTJIDSGSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]([NH2+]CC(=O)NCCC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185696854 455599374 /nfs/dbraw/zinc/59/93/74/455599374.db2.gz DGUXXBULRXRVET-PKOBYXMFSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@H]([NH2+]CC(=O)NCCC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185696854 455599379 /nfs/dbraw/zinc/59/93/79/455599379.db2.gz DGUXXBULRXRVET-PKOBYXMFSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185696565 455599911 /nfs/dbraw/zinc/59/99/11/455599911.db2.gz CIRHCZSAHGBIEH-OLZOCXBDSA-N 2 1 344.425 3.182 20 0 EGADMP C[C@@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185696565 455599913 /nfs/dbraw/zinc/59/99/13/455599913.db2.gz CIRHCZSAHGBIEH-OLZOCXBDSA-N 2 1 344.425 3.182 20 0 EGADMP CCc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185712555 455603532 /nfs/dbraw/zinc/60/35/32/455603532.db2.gz JPBJTTZWWYEHNN-AEFFLSMTSA-N 2 1 343.515 3.430 20 0 EGADMP CCc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185712555 455603535 /nfs/dbraw/zinc/60/35/35/455603535.db2.gz JPBJTTZWWYEHNN-AEFFLSMTSA-N 2 1 343.515 3.430 20 0 EGADMP CCN(C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000185734896 455610542 /nfs/dbraw/zinc/61/05/42/455610542.db2.gz OOMJTIUDAPRKKW-QZTJIDSGSA-N 2 1 343.515 3.282 20 0 EGADMP CCN(C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000185734896 455610545 /nfs/dbraw/zinc/61/05/45/455610545.db2.gz OOMJTIUDAPRKKW-QZTJIDSGSA-N 2 1 343.515 3.282 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185758458 455615800 /nfs/dbraw/zinc/61/58/00/455615800.db2.gz ZFTPYOAAKFROEC-AOIWGVFYSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185758458 455615807 /nfs/dbraw/zinc/61/58/07/455615807.db2.gz ZFTPYOAAKFROEC-AOIWGVFYSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000284192193 455649798 /nfs/dbraw/zinc/64/97/98/455649798.db2.gz BRIOYPPPMHHDQP-KRWDZBQOSA-N 2 1 348.450 3.071 20 0 EGADMP CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OCC ZINC000247934322 455655891 /nfs/dbraw/zinc/65/58/91/455655891.db2.gz CHLGGWLFSQZJFV-ROUUACIJSA-N 2 1 332.488 3.400 20 0 EGADMP CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OCC ZINC000247934322 455655897 /nfs/dbraw/zinc/65/58/97/455655897.db2.gz CHLGGWLFSQZJFV-ROUUACIJSA-N 2 1 332.488 3.400 20 0 EGADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OCC ZINC000247934322 455655902 /nfs/dbraw/zinc/65/59/02/455655902.db2.gz CHLGGWLFSQZJFV-ROUUACIJSA-N 2 1 332.488 3.400 20 0 EGADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1OCC ZINC000247934322 455655908 /nfs/dbraw/zinc/65/59/08/455655908.db2.gz CHLGGWLFSQZJFV-ROUUACIJSA-N 2 1 332.488 3.400 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1cccc(OC)c1 ZINC000247981588 455664407 /nfs/dbraw/zinc/66/44/07/455664407.db2.gz MWRLAULIQMHGBW-DEPWHIHDSA-N 2 1 347.547 3.396 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000247995887 455668097 /nfs/dbraw/zinc/66/80/97/455668097.db2.gz JVWQFCSNZFMYLJ-AOIWGVFYSA-N 2 1 334.504 3.014 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248003963 455669416 /nfs/dbraw/zinc/66/94/16/455669416.db2.gz KQFOZYSJXQPYDM-RLFYNMQTSA-N 2 1 349.906 3.392 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000277818748 455676811 /nfs/dbraw/zinc/67/68/11/455676811.db2.gz QQMNYNFSSOJARZ-FQEVSTJZSA-N 2 1 330.516 3.178 20 0 EGADMP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC000268442947 455684318 /nfs/dbraw/zinc/68/43/18/455684318.db2.gz DECNYDRTCXQBHN-YSIASYRMSA-N 2 1 345.531 3.084 20 0 EGADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CCCO2 ZINC000248177163 455693935 /nfs/dbraw/zinc/69/39/35/455693935.db2.gz VTIWFDBATKTFJH-ICSRJNTNSA-N 2 1 346.515 3.344 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000271655134 455713271 /nfs/dbraw/zinc/71/32/71/455713271.db2.gz CCCHSFGBOMAMBT-UWJYYQICSA-N 2 1 346.515 3.386 20 0 EGADMP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+](CC)CC)c1nccn1C ZINC000271681973 455720985 /nfs/dbraw/zinc/72/09/85/455720985.db2.gz ISHLHRJFMIJFDC-GOSISDBHSA-N 2 1 344.503 3.382 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)OC(C)C ZINC000186378764 455756799 /nfs/dbraw/zinc/75/67/99/455756799.db2.gz XGECIARYQNGERZ-HNAWSFBYSA-N 2 1 334.504 3.480 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c(Cl)c1 ZINC000271817144 455772792 /nfs/dbraw/zinc/77/27/92/455772792.db2.gz BSBYXJLRVIGFBS-AWEZNQCLSA-N 2 1 335.879 3.217 20 0 EGADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccsc1 ZINC000269068385 455781215 /nfs/dbraw/zinc/78/12/15/455781215.db2.gz WGRAFYAZGPVUJA-ZYSHUDEJSA-N 2 1 330.497 3.282 20 0 EGADMP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000249881351 455781434 /nfs/dbraw/zinc/78/14/34/455781434.db2.gz HQDJUGKPKBDFJR-LILSUDLASA-N 2 1 342.527 3.428 20 0 EGADMP CCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccnc1 ZINC000186519956 455785246 /nfs/dbraw/zinc/78/52/46/455785246.db2.gz VBEDHZGYSUVCGF-LEWJYISDSA-N 2 1 339.483 3.279 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000271876811 455795336 /nfs/dbraw/zinc/79/53/36/455795336.db2.gz OGLRZKCINGMPNA-KRWDZBQOSA-N 2 1 335.289 3.158 20 0 EGADMP COC[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000285234245 455809110 /nfs/dbraw/zinc/80/91/10/455809110.db2.gz PKEOAXKWLUCPFG-JSRAGOMMSA-N 2 1 346.515 3.213 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000285371523 455832644 /nfs/dbraw/zinc/83/26/44/455832644.db2.gz FWJMUTFXSDPISJ-UHFFFAOYSA-N 2 1 349.360 3.186 20 0 EGADMP C[C@H]([NH2+]Cc1cccc2nccn21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272209586 455878022 /nfs/dbraw/zinc/87/80/22/455878022.db2.gz PYTVYUIQSNHJOH-HKUYNNGSSA-N 2 1 334.467 3.335 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000280064754 455882325 /nfs/dbraw/zinc/88/23/25/455882325.db2.gz XDYYJNNTNYJSOM-FZCLSBEQSA-N 2 1 332.488 3.412 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000280064754 455882332 /nfs/dbraw/zinc/88/23/32/455882332.db2.gz XDYYJNNTNYJSOM-FZCLSBEQSA-N 2 1 332.488 3.412 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000280064750 455883012 /nfs/dbraw/zinc/88/30/12/455883012.db2.gz XDYYJNNTNYJSOM-CYGHRXIMSA-N 2 1 332.488 3.412 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1OC ZINC000280064750 455883015 /nfs/dbraw/zinc/88/30/15/455883015.db2.gz XDYYJNNTNYJSOM-CYGHRXIMSA-N 2 1 332.488 3.412 20 0 EGADMP COc1cccc([C@H](C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)N(C)C)c1 ZINC000261753487 455940775 /nfs/dbraw/zinc/94/07/75/455940775.db2.gz UZGZVEGWHFKWRF-KPFFTGBYSA-N 2 1 333.520 3.198 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261789284 455949028 /nfs/dbraw/zinc/94/90/28/455949028.db2.gz QBLDMABKBCSVDT-NSISKUIASA-N 2 1 343.515 3.052 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000261803927 455951488 /nfs/dbraw/zinc/95/14/88/455951488.db2.gz MVKWVFRAPBBJMX-UHFFFAOYSA-N 2 1 343.515 3.134 20 0 EGADMP CCC[N@@H+](Cc1cc(Cl)c2c(c1)OCCCO2)C1CC[NH2+]CC1 ZINC000261830350 455956600 /nfs/dbraw/zinc/95/66/00/455956600.db2.gz XNGJYGCLYOHSDK-UHFFFAOYSA-N 2 1 338.879 3.465 20 0 EGADMP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000261944955 455976141 /nfs/dbraw/zinc/97/61/41/455976141.db2.gz NGINIVXNVZUTAD-ABAIWWIYSA-N 2 1 338.377 3.265 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000261944955 455976142 /nfs/dbraw/zinc/97/61/42/455976142.db2.gz NGINIVXNVZUTAD-ABAIWWIYSA-N 2 1 338.377 3.265 20 0 EGADMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000261954086 455977311 /nfs/dbraw/zinc/97/73/11/455977311.db2.gz OKIBWGYEIXRGOS-SFHVURJKSA-N 2 1 336.483 3.004 20 0 EGADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000261971556 455980460 /nfs/dbraw/zinc/98/04/60/455980460.db2.gz DKUCBLZHPVFJDZ-UHFFFAOYSA-N 2 1 331.504 3.244 20 0 EGADMP COCC1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000296601369 455986071 /nfs/dbraw/zinc/98/60/71/455986071.db2.gz YJVBZTOAYFNPNP-UHFFFAOYSA-N 2 1 330.516 3.488 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2coc(C[NH3+])c2)cc1 ZINC000188060719 455990273 /nfs/dbraw/zinc/99/02/73/455990273.db2.gz HVRCZWLMOZNEPY-HNNXBMFYSA-N 2 1 341.455 3.043 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1OCC(C)C ZINC000262071287 455993663 /nfs/dbraw/zinc/99/36/63/455993663.db2.gz SDJODJVJFJDWAF-HXUWFJFHSA-N 2 1 332.488 3.306 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1OCC(C)C ZINC000262071287 455993670 /nfs/dbraw/zinc/99/36/70/455993670.db2.gz SDJODJVJFJDWAF-HXUWFJFHSA-N 2 1 332.488 3.306 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000270629021 455999637 /nfs/dbraw/zinc/99/96/37/455999637.db2.gz GBELMKBGOISSLD-SFHVURJKSA-N 2 1 325.412 3.020 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000270629021 455999642 /nfs/dbraw/zinc/99/96/42/455999642.db2.gz GBELMKBGOISSLD-SFHVURJKSA-N 2 1 325.412 3.020 20 0 EGADMP C[C@H]([NH2+]CCCOC[C@H]1CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272576576 456000915 /nfs/dbraw/zinc/00/09/15/456000915.db2.gz VTOFJZDOAWJIBX-CEWLAPEOSA-N 2 1 346.515 3.072 20 0 EGADMP Cn1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000286295062 456018057 /nfs/dbraw/zinc/01/80/57/456018057.db2.gz WJUGOIGJBAKAIF-PCCBWWKXSA-N 2 1 338.499 3.201 20 0 EGADMP Cn1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000286295067 456018401 /nfs/dbraw/zinc/01/84/01/456018401.db2.gz WJUGOIGJBAKAIF-PWRODBHTSA-N 2 1 338.499 3.201 20 0 EGADMP C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000188445963 456065038 /nfs/dbraw/zinc/06/50/38/456065038.db2.gz AQAQGRGYBSRPFJ-JXFKEZNVSA-N 2 1 342.458 3.113 20 0 EGADMP C[N@@H+]1CCC[C@H](N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C1 ZINC000301301316 456085080 /nfs/dbraw/zinc/08/50/80/456085080.db2.gz RJKNSEAKIJYULC-INIZCTEOSA-N 2 1 344.890 3.104 20 0 EGADMP C[N@H+]1CCC[C@H](N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C1 ZINC000301301316 456085083 /nfs/dbraw/zinc/08/50/83/456085083.db2.gz RJKNSEAKIJYULC-INIZCTEOSA-N 2 1 344.890 3.104 20 0 EGADMP CSC1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000272863819 456095206 /nfs/dbraw/zinc/09/52/06/456095206.db2.gz VGSRDMVTBQUMMH-PKOBYXMFSA-N 2 1 348.556 3.399 20 0 EGADMP COCCOC[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000271177637 456156439 /nfs/dbraw/zinc/15/64/39/456156439.db2.gz IJGLLBKUUWNEDX-FQEVSTJZSA-N 2 1 348.531 3.130 20 0 EGADMP COCCOC[C@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000271177637 456156441 /nfs/dbraw/zinc/15/64/41/456156441.db2.gz IJGLLBKUUWNEDX-FQEVSTJZSA-N 2 1 348.531 3.130 20 0 EGADMP COCCOC[C@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000271177637 456156447 /nfs/dbraw/zinc/15/64/47/456156447.db2.gz IJGLLBKUUWNEDX-FQEVSTJZSA-N 2 1 348.531 3.130 20 0 EGADMP CSc1cc2c(cc1C[N@H+](C)[C@H]1CCN(C)[C@H](C)C1)OCCO2 ZINC000271191768 456162924 /nfs/dbraw/zinc/16/29/24/456162924.db2.gz MEIUPEHTQOCGQD-HIFRSBDPSA-N 2 1 336.501 3.094 20 0 EGADMP CSc1cc2c(cc1C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1)OCCO2 ZINC000271191768 456162930 /nfs/dbraw/zinc/16/29/30/456162930.db2.gz MEIUPEHTQOCGQD-HIFRSBDPSA-N 2 1 336.501 3.094 20 0 EGADMP CCOc1cc(C[N@@H+](C)CCCn2ccnc2C)cc(Cl)c1O ZINC000297299351 456176961 /nfs/dbraw/zinc/17/69/61/456176961.db2.gz AKLWCVYDJKUGBO-UHFFFAOYSA-N 2 1 337.851 3.471 20 0 EGADMP CCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000236818864 456186580 /nfs/dbraw/zinc/18/65/80/456186580.db2.gz VZVQONMQWSNETM-LPHOPBHVSA-N 2 1 331.504 3.195 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c2nccn21 ZINC000297351986 456195766 /nfs/dbraw/zinc/19/57/66/456195766.db2.gz PDRXEAXUXXDGKT-KXBFYZLASA-N 2 1 340.471 3.152 20 0 EGADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000236888908 456198271 /nfs/dbraw/zinc/19/82/71/456198271.db2.gz AEIYQVNWPMRGTK-BXWFABGCSA-N 2 1 331.504 3.051 20 0 EGADMP CCOc1cc(C[N@@H+](C)CC2CC[NH2+]CC2)ccc1OC(F)F ZINC000236904760 456199660 /nfs/dbraw/zinc/19/96/60/456199660.db2.gz OUTHQRJKQWOMKJ-UHFFFAOYSA-N 2 1 328.403 3.118 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1)C(C)C ZINC000236922990 456202708 /nfs/dbraw/zinc/20/27/08/456202708.db2.gz BWEULZKWSVBFCW-IBGZPJMESA-N 2 1 333.520 3.362 20 0 EGADMP Cc1nc2scc(C3CC3)n2c1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000297376982 456203638 /nfs/dbraw/zinc/20/36/38/456203638.db2.gz ICMIFCDVYBOMPH-SFHVURJKSA-N 2 1 330.501 3.109 20 0 EGADMP Cc1nn(C(C)C)cc1CNCCC[N@H+]1CCc2ccccc2C1 ZINC000281350004 456210021 /nfs/dbraw/zinc/21/00/21/456210021.db2.gz MMKYSMXHPGVUFO-UHFFFAOYSA-N 2 1 326.488 3.310 20 0 EGADMP Cc1nn(C(C)C)cc1C[NH2+]CCCN1CCc2ccccc2C1 ZINC000281350004 456210025 /nfs/dbraw/zinc/21/00/25/456210025.db2.gz MMKYSMXHPGVUFO-UHFFFAOYSA-N 2 1 326.488 3.310 20 0 EGADMP COc1cncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000290018542 456218095 /nfs/dbraw/zinc/21/80/95/456218095.db2.gz SPZASEYKCOQXIV-OXQOHEQNSA-N 2 1 325.456 3.090 20 0 EGADMP COc1cncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000290018542 456218102 /nfs/dbraw/zinc/21/81/02/456218102.db2.gz SPZASEYKCOQXIV-OXQOHEQNSA-N 2 1 325.456 3.090 20 0 EGADMP CCCC[NH+]1CCC([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189094503 456224331 /nfs/dbraw/zinc/22/43/31/456224331.db2.gz QUZPTPOFFMSXIH-UHFFFAOYSA-N 2 1 344.478 3.425 20 0 EGADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000237082371 456229263 /nfs/dbraw/zinc/22/92/63/456229263.db2.gz AEIYQVNWPMRGTK-TXPKVOOTSA-N 2 1 331.504 3.051 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc3nc(C)ccc3c2)CC1 ZINC000189251276 456264227 /nfs/dbraw/zinc/26/42/27/456264227.db2.gz YBCKVWFATMIFSN-UHFFFAOYSA-N 2 1 340.515 3.051 20 0 EGADMP CCOCCOc1cc(C)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297632725 456267778 /nfs/dbraw/zinc/26/77/78/456267778.db2.gz MDFOCMDEVURXFY-UHFFFAOYSA-N 2 1 332.488 3.127 20 0 EGADMP c1ccc2c(c1)CC1(CCOCC1)[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000290233478 456272538 /nfs/dbraw/zinc/27/25/38/456272538.db2.gz RXRQDFIPSKNGOA-QWFCFKBJSA-N 2 1 326.484 3.297 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1O ZINC000297669335 456273530 /nfs/dbraw/zinc/27/35/30/456273530.db2.gz JXXKVINLKRKSHE-WMZOPIPTSA-N 2 1 330.472 3.240 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1O ZINC000297669335 456273532 /nfs/dbraw/zinc/27/35/32/456273532.db2.gz JXXKVINLKRKSHE-WMZOPIPTSA-N 2 1 330.472 3.240 20 0 EGADMP CCOc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1O ZINC000297669335 456273533 /nfs/dbraw/zinc/27/35/33/456273533.db2.gz JXXKVINLKRKSHE-WMZOPIPTSA-N 2 1 330.472 3.240 20 0 EGADMP CCOc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1O ZINC000297669335 456273535 /nfs/dbraw/zinc/27/35/35/456273535.db2.gz JXXKVINLKRKSHE-WMZOPIPTSA-N 2 1 330.472 3.240 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000290265979 456277301 /nfs/dbraw/zinc/27/73/01/456277301.db2.gz XYGXKWLAHOEXMI-WMZOPIPTSA-N 2 1 329.488 3.375 20 0 EGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3COc4ccccc4[C@@H]3O)CC2)C1 ZINC000290282777 456279254 /nfs/dbraw/zinc/27/92/54/456279254.db2.gz MIVFNJRQXSNOCW-UCKNYWNBSA-N 2 1 344.499 3.114 20 0 EGADMP CCOCC(C)(C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000290286950 456280117 /nfs/dbraw/zinc/28/01/17/456280117.db2.gz MOBVCQNXPZKKFC-UHFFFAOYSA-N 2 1 336.495 3.485 20 0 EGADMP C[NH+](C)Cc1cnc(CNC(C)(C)C[N@H+](C)Cc2ccccc2)s1 ZINC000352759959 456281861 /nfs/dbraw/zinc/28/18/61/456281861.db2.gz MRWLFQIPLRUASO-UHFFFAOYSA-N 2 1 346.544 3.205 20 0 EGADMP C[NH+](C)Cc1cnc(CNC(C)(C)C[N@@H+](C)Cc2ccccc2)s1 ZINC000352759959 456281862 /nfs/dbraw/zinc/28/18/62/456281862.db2.gz MRWLFQIPLRUASO-UHFFFAOYSA-N 2 1 346.544 3.205 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@]1(C)CCCO1 ZINC000340172649 456288836 /nfs/dbraw/zinc/28/88/36/456288836.db2.gz UJQAVUXGADNUEO-BMQTXXJKSA-N 2 1 346.515 3.343 20 0 EGADMP CN(CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)CC(F)(F)F ZINC000340184001 456298072 /nfs/dbraw/zinc/29/80/72/456298072.db2.gz OQSBRPDDRZNKOA-IAGOWNOFSA-N 2 1 343.437 3.296 20 0 EGADMP CN(CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)CC(F)(F)F ZINC000340184001 456298077 /nfs/dbraw/zinc/29/80/77/456298077.db2.gz OQSBRPDDRZNKOA-IAGOWNOFSA-N 2 1 343.437 3.296 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC(OC(C)(C)C)C2)[C@H](C)C1 ZINC000352782331 456301410 /nfs/dbraw/zinc/30/14/10/456301410.db2.gz HFWWVZVMNXYTTA-CPFNUKBASA-N 2 1 326.525 3.059 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)NC2CCCCC2)C[C@H]1c1ccccc1 ZINC000340192079 456303856 /nfs/dbraw/zinc/30/38/56/456303856.db2.gz WXMRTRVLCNSGKR-PMACEKPBSA-N 2 1 343.515 3.251 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CCC(=O)NC2CCCCC2)C[C@H]1c1ccccc1 ZINC000340192079 456303864 /nfs/dbraw/zinc/30/38/64/456303864.db2.gz WXMRTRVLCNSGKR-PMACEKPBSA-N 2 1 343.515 3.251 20 0 EGADMP Cc1noc(C)c1CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336793338 456311371 /nfs/dbraw/zinc/31/13/71/456311371.db2.gz WHUYMGQLFBOXGZ-UXHICEINSA-N 2 1 339.483 3.288 20 0 EGADMP Cc1noc(C)c1CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336793338 456311378 /nfs/dbraw/zinc/31/13/78/456311378.db2.gz WHUYMGQLFBOXGZ-UXHICEINSA-N 2 1 339.483 3.288 20 0 EGADMP Cc1noc(C)c1CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336793338 456311384 /nfs/dbraw/zinc/31/13/84/456311384.db2.gz WHUYMGQLFBOXGZ-UXHICEINSA-N 2 1 339.483 3.288 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc2c(c(OC)c1)OCO2 ZINC000290429541 456327114 /nfs/dbraw/zinc/32/71/14/456327114.db2.gz LFGLJYKFLBQOOC-UHFFFAOYSA-N 2 1 345.443 3.095 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc2c(c(OC)c1)OCO2 ZINC000290429541 456327121 /nfs/dbraw/zinc/32/71/21/456327121.db2.gz LFGLJYKFLBQOOC-UHFFFAOYSA-N 2 1 345.443 3.095 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1OC(C)C ZINC000290434545 456327604 /nfs/dbraw/zinc/32/76/04/456327604.db2.gz LMRABXKUVYWESS-ROUUACIJSA-N 2 1 332.488 3.399 20 0 EGADMP COc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1OC(C)C ZINC000290434545 456327610 /nfs/dbraw/zinc/32/76/10/456327610.db2.gz LMRABXKUVYWESS-ROUUACIJSA-N 2 1 332.488 3.399 20 0 EGADMP COc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1OC(C)C ZINC000290434545 456327613 /nfs/dbraw/zinc/32/76/13/456327613.db2.gz LMRABXKUVYWESS-ROUUACIJSA-N 2 1 332.488 3.399 20 0 EGADMP CCOc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc(Cl)c1O ZINC000298004745 456343143 /nfs/dbraw/zinc/34/31/43/456343143.db2.gz ZVUBZTCCHXLYKQ-UHFFFAOYSA-N 2 1 326.868 3.218 20 0 EGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2c[nH]c3nccnc23)C1 ZINC000290505733 456348534 /nfs/dbraw/zinc/34/85/34/456348534.db2.gz SSPANVSSJQZNGR-HOTGVXAUSA-N 2 1 327.476 3.044 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2c[nH]c3nccnc23)C1 ZINC000290505733 456348543 /nfs/dbraw/zinc/34/85/43/456348543.db2.gz SSPANVSSJQZNGR-HOTGVXAUSA-N 2 1 327.476 3.044 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2c[nH]c3nccnc23)C1 ZINC000290505733 456348550 /nfs/dbraw/zinc/34/85/50/456348550.db2.gz SSPANVSSJQZNGR-HOTGVXAUSA-N 2 1 327.476 3.044 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2c[nH]c3nccnc23)C1 ZINC000290505733 456348553 /nfs/dbraw/zinc/34/85/53/456348553.db2.gz SSPANVSSJQZNGR-HOTGVXAUSA-N 2 1 327.476 3.044 20 0 EGADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000290561183 456364186 /nfs/dbraw/zinc/36/41/86/456364186.db2.gz SIQDIGLXIZKKFZ-UHFFFAOYSA-N 2 1 348.487 3.174 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000290561183 456364193 /nfs/dbraw/zinc/36/41/93/456364193.db2.gz SIQDIGLXIZKKFZ-UHFFFAOYSA-N 2 1 348.487 3.174 20 0 EGADMP CC[N@H+](Cc1c[nH]c2nccnc12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290569387 456367695 /nfs/dbraw/zinc/36/76/95/456367695.db2.gz YJIBBMQITUPESP-GOSISDBHSA-N 2 1 349.482 3.302 20 0 EGADMP CC[NH+](Cc1c[nH]c2nccnc12)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290569387 456367701 /nfs/dbraw/zinc/36/77/01/456367701.db2.gz YJIBBMQITUPESP-GOSISDBHSA-N 2 1 349.482 3.302 20 0 EGADMP CC[NH+](Cc1c[nH]c2nccnc12)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290569387 456367703 /nfs/dbraw/zinc/36/77/03/456367703.db2.gz YJIBBMQITUPESP-GOSISDBHSA-N 2 1 349.482 3.302 20 0 EGADMP COc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(Br)c1 ZINC000290581969 456372783 /nfs/dbraw/zinc/37/27/83/456372783.db2.gz UQZURXPHKIGNNW-BLLLJJGKSA-N 2 1 341.293 3.230 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000298229960 456397602 /nfs/dbraw/zinc/39/76/02/456397602.db2.gz BFEXRKNWSLKUDI-CQSZACIVSA-N 2 1 332.517 3.403 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000298229960 456397609 /nfs/dbraw/zinc/39/76/09/456397609.db2.gz BFEXRKNWSLKUDI-CQSZACIVSA-N 2 1 332.517 3.403 20 0 EGADMP CCC[N@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000347860151 456410385 /nfs/dbraw/zinc/41/03/85/456410385.db2.gz SIUROMOQDUJOFP-DJIMGWMZSA-N 2 1 337.533 3.230 20 0 EGADMP CCC[N@@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000347860151 456410391 /nfs/dbraw/zinc/41/03/91/456410391.db2.gz SIUROMOQDUJOFP-DJIMGWMZSA-N 2 1 337.533 3.230 20 0 EGADMP CO[C@H](CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C(F)(F)F ZINC000340365979 456416587 /nfs/dbraw/zinc/41/65/87/456416587.db2.gz NQYKIMLWWVOWII-ARFHVFGLSA-N 2 1 330.394 3.379 20 0 EGADMP CO[C@H](CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(F)(F)F ZINC000340365979 456416595 /nfs/dbraw/zinc/41/65/95/456416595.db2.gz NQYKIMLWWVOWII-ARFHVFGLSA-N 2 1 330.394 3.379 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298453922 456461353 /nfs/dbraw/zinc/46/13/53/456461353.db2.gz OAWRONKTGDIUJZ-SFHVURJKSA-N 3 1 330.520 3.295 20 0 EGADMP CSc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000282423822 456508719 /nfs/dbraw/zinc/50/87/19/456508719.db2.gz STYWZNKWFUHGMI-CQSZACIVSA-N 2 1 339.524 3.224 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cn(C(C)(C)C)nn1 ZINC000276644803 456540389 /nfs/dbraw/zinc/54/03/89/456540389.db2.gz RRADYWMCZHZYRT-LPHOPBHVSA-N 2 1 341.503 3.033 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH+]1CCCC[C@@H]1C)c1ccccc1 ZINC000340586151 456549400 /nfs/dbraw/zinc/54/94/00/456549400.db2.gz KIPCLKOIRNPTQE-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000340586151 456549404 /nfs/dbraw/zinc/54/94/04/456549404.db2.gz KIPCLKOIRNPTQE-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000340586151 456549409 /nfs/dbraw/zinc/54/94/09/456549409.db2.gz KIPCLKOIRNPTQE-PKOBYXMFSA-N 2 1 331.504 3.060 20 0 EGADMP COc1cc2[nH+]ccc(N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c2cc1OC ZINC000298832141 456550066 /nfs/dbraw/zinc/55/00/66/456550066.db2.gz HSTRHQKQDPKYPU-PBHICJAKSA-N 2 1 341.455 3.173 20 0 EGADMP C[C@@H](O)[C@@H](C)[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000307516835 456569009 /nfs/dbraw/zinc/56/90/09/456569009.db2.gz SXQSWNIUULDUBH-RTBURBONSA-N 2 1 326.484 3.438 20 0 EGADMP C[C@@H](O)[C@H](C)[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000307516834 456569437 /nfs/dbraw/zinc/56/94/37/456569437.db2.gz SXQSWNIUULDUBH-RBUKOAKNSA-N 2 1 326.484 3.438 20 0 EGADMP O[C@]1(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000348250121 456569973 /nfs/dbraw/zinc/56/99/73/456569973.db2.gz WCRDCQZYFQOPDQ-FSSWDIPSSA-N 2 1 336.479 3.017 20 0 EGADMP O[C@]1(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000348250121 456569977 /nfs/dbraw/zinc/56/99/77/456569977.db2.gz WCRDCQZYFQOPDQ-FSSWDIPSSA-N 2 1 336.479 3.017 20 0 EGADMP CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308400919 456572121 /nfs/dbraw/zinc/57/21/21/456572121.db2.gz WOBONACKABIEFA-FRYIKTPZSA-N 2 1 328.500 3.444 20 0 EGADMP COC(=O)C1CCC([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000310934587 456586048 /nfs/dbraw/zinc/58/60/48/456586048.db2.gz IDSRSPQVJOXAPH-OXHPOLQJSA-N 2 1 344.499 3.218 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2scnc2C)CC1 ZINC000353282605 456608012 /nfs/dbraw/zinc/60/80/12/456608012.db2.gz KDJWWEVOXFOHJX-UHFFFAOYSA-N 2 1 344.528 3.225 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2scnc2C)CC1 ZINC000353282605 456608015 /nfs/dbraw/zinc/60/80/15/456608015.db2.gz KDJWWEVOXFOHJX-UHFFFAOYSA-N 2 1 344.528 3.225 20 0 EGADMP CCCCOc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1OC ZINC000340687421 456624583 /nfs/dbraw/zinc/62/45/83/456624583.db2.gz ZJJCDRHFBWWXHI-UHFFFAOYSA-N 2 1 332.488 3.450 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)[NH+](C)C)cc1 ZINC000348328793 456625563 /nfs/dbraw/zinc/62/55/63/456625563.db2.gz QDGLKHYNVDDPFH-DYXWJJEUSA-N 2 1 345.531 3.293 20 0 EGADMP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000348328793 456625569 /nfs/dbraw/zinc/62/55/69/456625569.db2.gz QDGLKHYNVDDPFH-DYXWJJEUSA-N 2 1 345.531 3.293 20 0 EGADMP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000348328793 456625577 /nfs/dbraw/zinc/62/55/77/456625577.db2.gz QDGLKHYNVDDPFH-DYXWJJEUSA-N 2 1 345.531 3.293 20 0 EGADMP C[C@H]([NH2+]CCC(=O)Nc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000299182481 456628557 /nfs/dbraw/zinc/62/85/57/456628557.db2.gz ZJEKBAWGHMUADD-IRXDYDNUSA-N 2 1 329.488 3.258 20 0 EGADMP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000299182483 456629178 /nfs/dbraw/zinc/62/91/78/456629178.db2.gz ZJEKBAWGHMUADD-SJORKVTESA-N 2 1 329.488 3.258 20 0 EGADMP CCOc1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)ccc1OC(F)F ZINC000322721824 456650230 /nfs/dbraw/zinc/65/02/30/456650230.db2.gz QYFJGFDOFGWENC-AWEZNQCLSA-N 2 1 330.419 3.492 20 0 EGADMP CCN1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000343497159 456660575 /nfs/dbraw/zinc/66/05/75/456660575.db2.gz JYIZNRVHWYGSLO-BBTUJRGHSA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000343497159 456660577 /nfs/dbraw/zinc/66/05/77/456660577.db2.gz JYIZNRVHWYGSLO-BBTUJRGHSA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@H+]1C[C@H](C)[C@H](NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000343497159 456660580 /nfs/dbraw/zinc/66/05/80/456660580.db2.gz JYIZNRVHWYGSLO-BBTUJRGHSA-N 2 1 329.532 3.348 20 0 EGADMP CC[NH+]1C[C@H](C)[C@H](NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000343497159 456660583 /nfs/dbraw/zinc/66/05/83/456660583.db2.gz JYIZNRVHWYGSLO-BBTUJRGHSA-N 2 1 329.532 3.348 20 0 EGADMP CC[NH+]1C[C@H](C)[C@H](NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000343497159 456660586 /nfs/dbraw/zinc/66/05/86/456660586.db2.gz JYIZNRVHWYGSLO-BBTUJRGHSA-N 2 1 329.532 3.348 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C(=O)OC)oc1CC ZINC000277099198 456679006 /nfs/dbraw/zinc/67/90/06/456679006.db2.gz GKSBHPWFPDDDSM-UHFFFAOYSA-N 2 1 347.459 3.300 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C(=O)OC)oc1CC ZINC000277099198 456679013 /nfs/dbraw/zinc/67/90/13/456679013.db2.gz GKSBHPWFPDDDSM-UHFFFAOYSA-N 2 1 347.459 3.300 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000328378956 456712606 /nfs/dbraw/zinc/71/26/06/456712606.db2.gz UWIZLOGCOBDVPX-XLIONFOSSA-N 2 1 328.431 3.269 20 0 EGADMP Fc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000338231433 456721308 /nfs/dbraw/zinc/72/13/08/456721308.db2.gz AGNDBBHTVXKJLS-NRFANRHFSA-N 2 1 340.442 3.435 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000291729465 456737535 /nfs/dbraw/zinc/73/75/35/456737535.db2.gz AKJWLLSFHFBJAG-QGZVFWFLSA-N 2 1 331.504 3.131 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1O ZINC000277279425 456757102 /nfs/dbraw/zinc/75/71/02/456757102.db2.gz SKLJJXAGDPFGCK-WMZOPIPTSA-N 2 1 334.504 3.432 20 0 EGADMP CN(CC[N@@H+](C)[C@@H]1CCc2ccc(Cl)cc21)C1CC[NH+](C)CC1 ZINC000343779456 456774525 /nfs/dbraw/zinc/77/45/25/456774525.db2.gz ZNKVPCPMAXGLBW-LJQANCHMSA-N 2 1 335.923 3.285 20 0 EGADMP COc1ccc([C@H](O)C2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000291847069 456775090 /nfs/dbraw/zinc/77/50/90/456775090.db2.gz OWOQWZHEVIPSEA-NRFANRHFSA-N 2 1 346.515 3.317 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000292024776 456833372 /nfs/dbraw/zinc/83/33/72/456833372.db2.gz YNHQGUVOPAWHFP-RTWAWAEBSA-N 2 1 330.516 3.178 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000292024776 456833376 /nfs/dbraw/zinc/83/33/76/456833376.db2.gz YNHQGUVOPAWHFP-RTWAWAEBSA-N 2 1 330.516 3.178 20 0 EGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000292024776 456833384 /nfs/dbraw/zinc/83/33/84/456833384.db2.gz YNHQGUVOPAWHFP-RTWAWAEBSA-N 2 1 330.516 3.178 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000292169501 456875465 /nfs/dbraw/zinc/87/54/65/456875465.db2.gz OAQIEXWNVPZLBX-FGTMMUONSA-N 2 1 345.531 3.407 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(OC)c(OC)c2)C[C@@H]1C ZINC000353748283 456887228 /nfs/dbraw/zinc/88/72/28/456887228.db2.gz HIQJQRZRXRYTAX-GOEBONIOSA-N 2 1 336.476 3.017 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(OC)c(OC)c2)C[C@@H]1C ZINC000353748283 456887232 /nfs/dbraw/zinc/88/72/32/456887232.db2.gz HIQJQRZRXRYTAX-GOEBONIOSA-N 2 1 336.476 3.017 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(OC)c(OC)c2)C[C@@H]1C ZINC000353748283 456887237 /nfs/dbraw/zinc/88/72/37/456887237.db2.gz HIQJQRZRXRYTAX-GOEBONIOSA-N 2 1 336.476 3.017 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(OC)c(OC)c2)C[C@@H]1C ZINC000353748283 456887240 /nfs/dbraw/zinc/88/72/40/456887240.db2.gz HIQJQRZRXRYTAX-GOEBONIOSA-N 2 1 336.476 3.017 20 0 EGADMP C[C@@H]1CCc2nc(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)sc2C1 ZINC000349199080 456911404 /nfs/dbraw/zinc/91/14/04/456911404.db2.gz XYWBMGVCGAIWLY-ZBFHGGJFSA-N 2 1 333.545 3.432 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339068770 456925447 /nfs/dbraw/zinc/92/54/47/456925447.db2.gz MYZFVNPXSOEYEV-PMACEKPBSA-N 2 1 338.499 3.265 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068770 456925449 /nfs/dbraw/zinc/92/54/49/456925449.db2.gz MYZFVNPXSOEYEV-PMACEKPBSA-N 2 1 338.499 3.265 20 0 EGADMP CC[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+](CC)CC ZINC000353906972 456960803 /nfs/dbraw/zinc/96/08/03/456960803.db2.gz PYDPTDDQDUSHLR-ICSRJNTNSA-N 2 1 345.531 3.230 20 0 EGADMP COc1cccc(OC(F)(F)F)c1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000353948402 456975932 /nfs/dbraw/zinc/97/59/32/456975932.db2.gz UMRALOBIEUNAFJ-STQMWFEESA-N 2 1 344.377 3.310 20 0 EGADMP CC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCOCC1 ZINC000341907409 456995322 /nfs/dbraw/zinc/99/53/22/456995322.db2.gz WXMURBNYFDOQHA-LEWJYISDSA-N 2 1 346.515 3.072 20 0 EGADMP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCOCC1 ZINC000341907409 456995324 /nfs/dbraw/zinc/99/53/24/456995324.db2.gz WXMURBNYFDOQHA-LEWJYISDSA-N 2 1 346.515 3.072 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cc4ccccc4o3)CC2)CC1 ZINC000354025318 457016777 /nfs/dbraw/zinc/01/67/77/457016777.db2.gz BSUQHJPVUMEJKJ-UHFFFAOYSA-N 2 1 341.499 3.423 20 0 EGADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cn1 ZINC000354081180 457049211 /nfs/dbraw/zinc/04/92/11/457049211.db2.gz ZIDFQIIJIRKXIF-HNAYVOBHSA-N 2 1 335.467 3.008 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000362711400 457055916 /nfs/dbraw/zinc/05/59/16/457055916.db2.gz KQBCAXPWKRMSHG-QFBILLFUSA-N 2 1 329.488 3.199 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3OCC(F)(F)F)C[C@@H]21 ZINC000342090358 457102032 /nfs/dbraw/zinc/10/20/32/457102032.db2.gz TUMBYETWAOENIH-VHDGCEQUSA-N 2 1 328.378 3.187 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000342107290 457111923 /nfs/dbraw/zinc/11/19/23/457111923.db2.gz PSLAZKYOOITLQJ-UVBQOVKKSA-N 2 1 343.515 3.092 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000342107286 457112237 /nfs/dbraw/zinc/11/22/37/457112237.db2.gz PSLAZKYOOITLQJ-FLNBYBTLSA-N 2 1 343.515 3.092 20 0 EGADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)n1 ZINC000359928255 457152988 /nfs/dbraw/zinc/15/29/88/457152988.db2.gz ZZVQGVMNWAOCBT-QFBILLFUSA-N 2 1 326.488 3.104 20 0 EGADMP C[C@@H](CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000359948551 457165100 /nfs/dbraw/zinc/16/51/00/457165100.db2.gz BMFPUIKYLOLXHB-BNDYYXHWSA-N 2 1 344.547 3.145 20 0 EGADMP C[C@@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000359948551 457165101 /nfs/dbraw/zinc/16/51/01/457165101.db2.gz BMFPUIKYLOLXHB-BNDYYXHWSA-N 2 1 344.547 3.145 20 0 EGADMP C[C@@H](CN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000359948551 457165104 /nfs/dbraw/zinc/16/51/04/457165104.db2.gz BMFPUIKYLOLXHB-BNDYYXHWSA-N 2 1 344.547 3.145 20 0 EGADMP C[C@@H](CN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000359948551 457165107 /nfs/dbraw/zinc/16/51/07/457165107.db2.gz BMFPUIKYLOLXHB-BNDYYXHWSA-N 2 1 344.547 3.145 20 0 EGADMP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@H]1CCC[NH2+]C1 ZINC000346842267 457182345 /nfs/dbraw/zinc/18/23/45/457182345.db2.gz IAAJDCMGTLCEBY-HNNXBMFYSA-N 2 1 330.451 3.080 20 0 EGADMP CC[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000354416989 457208529 /nfs/dbraw/zinc/20/85/29/457208529.db2.gz FGMQLSDTZFJYCD-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP CC[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000354416989 457208534 /nfs/dbraw/zinc/20/85/34/457208534.db2.gz FGMQLSDTZFJYCD-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347141285 457252302 /nfs/dbraw/zinc/25/23/02/457252302.db2.gz WEFBDNZJBLNQAK-DZGCQCFKSA-N 2 1 332.879 3.393 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000357045857 457295829 /nfs/dbraw/zinc/29/58/29/457295829.db2.gz VPXQBQJTTWAPOE-HLNWXESRSA-N 2 1 345.531 3.447 20 0 EGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@H]12 ZINC000351472525 457298369 /nfs/dbraw/zinc/29/83/69/457298369.db2.gz AZSJTNLQJYMURE-YSIASYRMSA-N 2 1 335.451 3.108 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)C[C@@H]12 ZINC000351489398 457300742 /nfs/dbraw/zinc/30/07/42/457300742.db2.gz HAFQDKMVHJOVJB-NSISKUIASA-N 2 1 347.547 3.150 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)C[C@@H]12 ZINC000351489398 457300745 /nfs/dbraw/zinc/30/07/45/457300745.db2.gz HAFQDKMVHJOVJB-NSISKUIASA-N 2 1 347.547 3.150 20 0 EGADMP C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357083971 457313044 /nfs/dbraw/zinc/31/30/44/457313044.db2.gz JBCBHMQVNRNABM-YJBOKZPZSA-N 2 1 340.471 3.043 20 0 EGADMP CC1CC[NH+](CCC[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000339988322 457319538 /nfs/dbraw/zinc/31/95/38/457319538.db2.gz JTJFBBLKLVUCID-IBGZPJMESA-N 2 1 345.531 3.123 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)CCN1c1cc(NCC2CC2)ncn1 ZINC000340022225 457321274 /nfs/dbraw/zinc/32/12/74/457321274.db2.gz HWVBDCYLONVSTO-INIZCTEOSA-N 2 1 337.471 3.009 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000352130366 457340069 /nfs/dbraw/zinc/34/00/69/457340069.db2.gz YTGRMBMFPKEAOI-LJQANCHMSA-N 2 1 333.520 3.310 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC[C@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000352432517 457363385 /nfs/dbraw/zinc/36/33/85/457363385.db2.gz QPIOQRMYCMBURG-NJDAHSKKSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC[C@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000352432517 457363391 /nfs/dbraw/zinc/36/33/91/457363391.db2.gz QPIOQRMYCMBURG-NJDAHSKKSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC[C@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000352432517 457363397 /nfs/dbraw/zinc/36/33/97/457363397.db2.gz QPIOQRMYCMBURG-NJDAHSKKSA-N 2 1 328.500 3.400 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000357201382 457370956 /nfs/dbraw/zinc/37/09/56/457370956.db2.gz GOKCIRYUMBOSJW-UHFFFAOYSA-N 2 1 345.531 3.380 20 0 EGADMP CSc1cccc(NC(=O)C[N@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000352502915 457422013 /nfs/dbraw/zinc/42/20/13/457422013.db2.gz ADFRRFLEKIGLNU-UHFFFAOYSA-N 2 1 335.517 3.188 20 0 EGADMP CSc1cccc(NC(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000352502915 457422020 /nfs/dbraw/zinc/42/20/20/457422020.db2.gz ADFRRFLEKIGLNU-UHFFFAOYSA-N 2 1 335.517 3.188 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000363743591 457438691 /nfs/dbraw/zinc/43/86/91/457438691.db2.gz OJILGYVVXWSBJB-INIZCTEOSA-N 2 1 348.491 3.027 20 0 EGADMP c1ccc(C[N@H+]2CCCO[C@@H](CNc3cc[nH+]c4ccccc34)C2)cc1 ZINC000390857635 457448171 /nfs/dbraw/zinc/44/81/71/457448171.db2.gz LFNOYISQTPLBSI-IBGZPJMESA-N 2 1 347.462 3.360 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1OC(F)F ZINC000397295131 457485812 /nfs/dbraw/zinc/48/58/12/457485812.db2.gz ZGVRJRJCIRIDEW-BZPMIXESSA-N 2 1 328.403 3.102 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1OC(F)F ZINC000397287892 457486329 /nfs/dbraw/zinc/48/63/29/457486329.db2.gz VKYXCQFGGCRDRD-GUTXKFCHSA-N 2 1 342.430 3.492 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000369990519 457490636 /nfs/dbraw/zinc/49/06/36/457490636.db2.gz FYNMSRWVRCHVPD-AEFFLSMTSA-N 2 1 344.503 3.136 20 0 EGADMP COC(=O)c1ccc(Cl)c(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000360994274 457497837 /nfs/dbraw/zinc/49/78/37/457497837.db2.gz CNGLGZUQXZOBQK-UHFFFAOYSA-N 2 1 346.858 3.478 20 0 EGADMP CCCCCC[C@H](C)CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364204997 457526246 /nfs/dbraw/zinc/52/62/46/457526246.db2.gz DJKXSDKNGFLGNL-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])ccc1OC(F)F ZINC000404444554 457544626 /nfs/dbraw/zinc/54/46/26/457544626.db2.gz WUPXXUTVHYMPIY-OCCSQVGLSA-N 2 1 328.403 3.246 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000356423263 457618086 /nfs/dbraw/zinc/61/80/86/457618086.db2.gz KTOJTRAYEWXPHR-XLIONFOSSA-N 2 1 343.515 3.085 20 0 EGADMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)s1 ZINC000361162778 457622684 /nfs/dbraw/zinc/62/26/84/457622684.db2.gz FYIKKPVCBGTZMH-OLZOCXBDSA-N 2 1 343.924 3.030 20 0 EGADMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cn1 ZINC000370672924 457697214 /nfs/dbraw/zinc/69/72/14/457697214.db2.gz IUNQTZPHOXFCBA-DNVCBOLYSA-N 2 1 344.503 3.173 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccnn2C)c1 ZINC000374898601 457729801 /nfs/dbraw/zinc/72/98/01/457729801.db2.gz RPPPQFPOHMKSJF-SFHVURJKSA-N 2 1 338.499 3.313 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCCC[C@H]1C ZINC000361542134 457781940 /nfs/dbraw/zinc/78/19/40/457781940.db2.gz WQHPXWQGIYWLHN-KZNAEPCWSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000361542134 457781948 /nfs/dbraw/zinc/78/19/48/457781948.db2.gz WQHPXWQGIYWLHN-KZNAEPCWSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000361542134 457781954 /nfs/dbraw/zinc/78/19/54/457781954.db2.gz WQHPXWQGIYWLHN-KZNAEPCWSA-N 2 1 335.536 3.020 20 0 EGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000443641827 457794031 /nfs/dbraw/zinc/79/40/31/457794031.db2.gz MJSQJIHVFPYCRS-UVUJQTEASA-N 2 1 342.527 3.451 20 0 EGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000443641827 457794038 /nfs/dbraw/zinc/79/40/38/457794038.db2.gz MJSQJIHVFPYCRS-UVUJQTEASA-N 2 1 342.527 3.451 20 0 EGADMP Cc1nnsc1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000426350412 457809063 /nfs/dbraw/zinc/80/90/63/457809063.db2.gz XOZQNEBFXDEFEJ-UHFFFAOYSA-N 2 1 330.501 3.379 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000358154992 457820307 /nfs/dbraw/zinc/82/03/07/457820307.db2.gz JJYZDLZZTSUSQX-GDBMZVCRSA-N 2 1 330.501 3.068 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCc1ccc(Cl)cc1 ZINC000371295904 457852491 /nfs/dbraw/zinc/85/24/91/457852491.db2.gz VSJMGWZJLMCXKG-GUDVDZBRSA-N 2 1 336.907 3.456 20 0 EGADMP OCC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1cccnc1 ZINC000411350753 457863403 /nfs/dbraw/zinc/86/34/03/457863403.db2.gz SPGQQICPABTGMJ-UHFFFAOYSA-N 2 1 339.483 3.062 20 0 EGADMP CC(C)[NH+](CCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)C(C)C ZINC000358235170 457876570 /nfs/dbraw/zinc/87/65/70/457876570.db2.gz YEQVMCWRKQUGHU-KRWDZBQOSA-N 2 1 339.911 3.178 20 0 EGADMP Cc1ccc2cc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)ccc2n1 ZINC000375356396 457895338 /nfs/dbraw/zinc/89/53/38/457895338.db2.gz NJLWDBWXKLJNQO-SESVDKBCSA-N 2 1 339.483 3.227 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2C)C[C@H]1C ZINC000361836536 457896907 /nfs/dbraw/zinc/89/69/07/457896907.db2.gz GGLKSIZREJXTRE-MJGOQNOKSA-N 2 1 326.488 3.485 20 0 EGADMP CCN1CC[C@H]([N@H+](C)Cc2ccc(-n3ccnc3)cc2C)C[C@H]1C ZINC000361836536 457896923 /nfs/dbraw/zinc/89/69/23/457896923.db2.gz GGLKSIZREJXTRE-MJGOQNOKSA-N 3 1 326.488 3.485 20 0 EGADMP CCN1CC[C@H]([N@@H+](C)Cc2ccc(-n3ccnc3)cc2C)C[C@H]1C ZINC000361836536 457896930 /nfs/dbraw/zinc/89/69/30/457896930.db2.gz GGLKSIZREJXTRE-MJGOQNOKSA-N 3 1 326.488 3.485 20 0 EGADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411475704 457897712 /nfs/dbraw/zinc/89/77/12/457897712.db2.gz TUXBPVXGLXYKMR-WOJBJXKFSA-N 2 1 341.499 3.029 20 0 EGADMP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000361885108 457929517 /nfs/dbraw/zinc/92/95/17/457929517.db2.gz HYCXBWXBXNDRNP-QFBILLFUSA-N 2 1 330.497 3.344 20 0 EGADMP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000361885108 457929521 /nfs/dbraw/zinc/92/95/21/457929521.db2.gz HYCXBWXBXNDRNP-QFBILLFUSA-N 2 1 330.497 3.344 20 0 EGADMP C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367201450 457934220 /nfs/dbraw/zinc/93/42/20/457934220.db2.gz SOOHADLVJVHLKF-KRWDZBQOSA-N 2 1 339.487 3.136 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[C@@H]2CCC[NH+](C)C2)cc1 ZINC000458155826 457946307 /nfs/dbraw/zinc/94/63/07/457946307.db2.gz AXLUJLRNGNZSQN-SFHVURJKSA-N 2 1 345.531 3.380 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000458155826 457946311 /nfs/dbraw/zinc/94/63/11/457946311.db2.gz AXLUJLRNGNZSQN-SFHVURJKSA-N 2 1 345.531 3.380 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000458155826 457946318 /nfs/dbraw/zinc/94/63/18/457946318.db2.gz AXLUJLRNGNZSQN-SFHVURJKSA-N 2 1 345.531 3.380 20 0 EGADMP CC(C)COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371472067 457948970 /nfs/dbraw/zinc/94/89/70/457948970.db2.gz XZBXOUSYQPXJEG-SESVDKBCSA-N 2 1 346.515 3.405 20 0 EGADMP CC(C)COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371472067 457948975 /nfs/dbraw/zinc/94/89/75/457948975.db2.gz XZBXOUSYQPXJEG-SESVDKBCSA-N 2 1 346.515 3.405 20 0 EGADMP CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000358379463 457965593 /nfs/dbraw/zinc/96/55/93/457965593.db2.gz FPQOEGRRIIGULK-MJGOQNOKSA-N 2 1 345.531 3.276 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000427265279 457969274 /nfs/dbraw/zinc/96/92/74/457969274.db2.gz MQJAHEGJYYQOCX-GPMSIDNRSA-N 2 1 349.544 3.027 20 0 EGADMP Cc1cccc(NCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000358409166 457985177 /nfs/dbraw/zinc/98/51/77/457985177.db2.gz WFCZRICRZHGORO-QUCCMNQESA-N 2 1 338.499 3.445 20 0 EGADMP Cc1cccc(NCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000358409166 457985182 /nfs/dbraw/zinc/98/51/82/457985182.db2.gz WFCZRICRZHGORO-QUCCMNQESA-N 2 1 338.499 3.445 20 0 EGADMP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358506371 458046723 /nfs/dbraw/zinc/04/67/23/458046723.db2.gz JRXPEYAKFHBGLI-HXUWFJFHSA-N 2 1 349.478 3.442 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412131659 458102594 /nfs/dbraw/zinc/10/25/94/458102594.db2.gz PBERFQWJNAFWGM-PXNSSMCTSA-N 2 1 343.515 3.085 20 0 EGADMP C[C@H]1C[C@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC[N@H+]1C ZINC000412133718 458102665 /nfs/dbraw/zinc/10/26/65/458102665.db2.gz RFILUYWTNBLABY-FXAWDEMLSA-N 2 1 343.515 3.227 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000435369412 458121010 /nfs/dbraw/zinc/12/10/10/458121010.db2.gz FFZAWBWGRXAYAQ-HOTGVXAUSA-N 2 1 326.488 3.339 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[C@@H]1[NH3+] ZINC000435379725 458128781 /nfs/dbraw/zinc/12/87/81/458128781.db2.gz KJVLWCNWPQFCSM-WFASDCNBSA-N 2 1 338.377 3.060 20 0 EGADMP CC[N@H+](Cc1cccc(Br)c1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435391423 458134198 /nfs/dbraw/zinc/13/41/98/458134198.db2.gz SJFZZCPNUMLNIG-CQSZACIVSA-N 2 1 341.293 3.422 20 0 EGADMP CC[N@@H+](Cc1cccc(Br)c1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435391423 458134204 /nfs/dbraw/zinc/13/42/04/458134204.db2.gz SJFZZCPNUMLNIG-CQSZACIVSA-N 2 1 341.293 3.422 20 0 EGADMP CC[N@H+](Cc1cc(Br)c(OC)s1)[C@H]1CCC[NH2+]CC1 ZINC000435395444 458135979 /nfs/dbraw/zinc/13/59/79/458135979.db2.gz SJTIJZFVEODEOU-NSHDSACASA-N 2 1 347.322 3.483 20 0 EGADMP CC[N@@H+](Cc1cc(Br)c(OC)s1)[C@H]1CCC[NH2+]CC1 ZINC000435395444 458135986 /nfs/dbraw/zinc/13/59/86/458135986.db2.gz SJTIJZFVEODEOU-NSHDSACASA-N 2 1 347.322 3.483 20 0 EGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000435396211 458138148 /nfs/dbraw/zinc/13/81/48/458138148.db2.gz VCYBCVDGIDSNQA-GOSISDBHSA-N 2 1 340.515 3.400 20 0 EGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000435396211 458138154 /nfs/dbraw/zinc/13/81/54/458138154.db2.gz VCYBCVDGIDSNQA-GOSISDBHSA-N 2 1 340.515 3.400 20 0 EGADMP CC[C@@H]1C[C@H](C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000435427290 458144645 /nfs/dbraw/zinc/14/46/45/458144645.db2.gz MEUBDFVIAGLYAG-BRWVUGGUSA-N 2 1 349.544 3.292 20 0 EGADMP Cc1ccc(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000435439637 458147799 /nfs/dbraw/zinc/14/77/99/458147799.db2.gz UCLFHPJCFOFSSU-LJQANCHMSA-N 2 1 338.499 3.181 20 0 EGADMP Cc1ccc(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000435439637 458147803 /nfs/dbraw/zinc/14/78/03/458147803.db2.gz UCLFHPJCFOFSSU-LJQANCHMSA-N 2 1 338.499 3.181 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435447500 458149156 /nfs/dbraw/zinc/14/91/56/458149156.db2.gz PPOUJZONYYMRJY-IBGZPJMESA-N 2 1 325.456 3.331 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435447500 458149162 /nfs/dbraw/zinc/14/91/62/458149162.db2.gz PPOUJZONYYMRJY-IBGZPJMESA-N 2 1 325.456 3.331 20 0 EGADMP c1ccc(C[N@@H+]2CCO[C@H]3CN(c4cc[nH+]c5ccccc54)C[C@H]32)cc1 ZINC000435580411 458164511 /nfs/dbraw/zinc/16/45/11/458164511.db2.gz QIJGOOKNLDWGBH-YADHBBJMSA-N 2 1 345.446 3.324 20 0 EGADMP c1ccc(C[N@H+]2CCO[C@H]3CN(c4cc[nH+]c5ccccc54)C[C@H]32)cc1 ZINC000435580411 458164516 /nfs/dbraw/zinc/16/45/16/458164516.db2.gz QIJGOOKNLDWGBH-YADHBBJMSA-N 2 1 345.446 3.324 20 0 EGADMP CC[N@H+](CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435630788 458175805 /nfs/dbraw/zinc/17/58/05/458175805.db2.gz YLWQEJDRGKTENE-CTNGQTDRSA-N 2 1 343.515 3.026 20 0 EGADMP CC[N@@H+](CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435630788 458175814 /nfs/dbraw/zinc/17/58/14/458175814.db2.gz YLWQEJDRGKTENE-CTNGQTDRSA-N 2 1 343.515 3.026 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCc3nn(C)cc32)c1 ZINC000358738704 458182172 /nfs/dbraw/zinc/18/21/72/458182172.db2.gz BCYUATLQYVTHON-IBGZPJMESA-N 2 1 326.488 3.428 20 0 EGADMP Cc1ncsc1C[N@H+](CCCOc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000435735475 458192446 /nfs/dbraw/zinc/19/24/46/458192446.db2.gz NFIDLAVQSXVNFO-KRWDZBQOSA-N 2 1 345.512 3.332 20 0 EGADMP Cc1ncsc1C[N@@H+](CCCOc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000435735475 458192451 /nfs/dbraw/zinc/19/24/51/458192451.db2.gz NFIDLAVQSXVNFO-KRWDZBQOSA-N 2 1 345.512 3.332 20 0 EGADMP CC[N@H+](CCC1CC[NH+](Cc2nnc3n2CCCC3)CC1)CC(C)C ZINC000358751864 458192587 /nfs/dbraw/zinc/19/25/87/458192587.db2.gz PELKRHNRLSRNTR-UHFFFAOYSA-N 2 1 347.551 3.194 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2nnc3n2CCCC3)CC1)CC(C)C ZINC000358751864 458192592 /nfs/dbraw/zinc/19/25/92/458192592.db2.gz PELKRHNRLSRNTR-UHFFFAOYSA-N 2 1 347.551 3.194 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000446570064 458198112 /nfs/dbraw/zinc/19/81/12/458198112.db2.gz WBUXIQGOJULBIZ-FUHWJXTLSA-N 2 1 346.519 3.127 20 0 EGADMP C[C@H](CC[NH2+][C@H]1CCCc2nn(C)cc21)[N@H+](C)Cc1ccccc1 ZINC000358760056 458198491 /nfs/dbraw/zinc/19/84/91/458198491.db2.gz USQSHLBRGBQADR-APWZRJJASA-N 2 1 326.488 3.298 20 0 EGADMP C[C@H](CC[NH2+][C@H]1CCCc2nn(C)cc21)[N@@H+](C)Cc1ccccc1 ZINC000358760056 458198494 /nfs/dbraw/zinc/19/84/94/458198494.db2.gz USQSHLBRGBQADR-APWZRJJASA-N 2 1 326.488 3.298 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc2ccccc2s1 ZINC000446816273 458231275 /nfs/dbraw/zinc/23/12/75/458231275.db2.gz BCJJCOGKYKTLLR-GOEBONIOSA-N 2 1 345.512 3.139 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3sccc3Cl)C2)CC1 ZINC000369484197 458233135 /nfs/dbraw/zinc/23/31/35/458233135.db2.gz LVGHVPYCSPYHFY-AWEZNQCLSA-N 2 1 327.925 3.002 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3sccc3Cl)C2)CC1 ZINC000369484197 458233141 /nfs/dbraw/zinc/23/31/41/458233141.db2.gz LVGHVPYCSPYHFY-AWEZNQCLSA-N 2 1 327.925 3.002 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1 ZINC000429147697 458282166 /nfs/dbraw/zinc/28/21/66/458282166.db2.gz CCCYOYSPPBKKCF-VQIMIIECSA-N 2 1 331.504 3.118 20 0 EGADMP CC(C)N(C)c1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000369720938 458326367 /nfs/dbraw/zinc/32/63/67/458326367.db2.gz KUJLYJGITARCIS-UHFFFAOYSA-N 2 1 330.520 3.234 20 0 EGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3OCc3ccncc3)C2)C1 ZINC000430154288 458411284 /nfs/dbraw/zinc/41/12/84/458411284.db2.gz ZSFFPYXQRVPGRO-NRFANRHFSA-N 2 1 337.467 3.188 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3OCc3ccncc3)C2)C1 ZINC000430154288 458411290 /nfs/dbraw/zinc/41/12/90/458411290.db2.gz ZSFFPYXQRVPGRO-NRFANRHFSA-N 2 1 337.467 3.188 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3OCc3ccncc3)C2)C1 ZINC000430154288 458411294 /nfs/dbraw/zinc/41/12/94/458411294.db2.gz ZSFFPYXQRVPGRO-NRFANRHFSA-N 2 1 337.467 3.188 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3OCc3ccncc3)C2)C1 ZINC000430154288 458411298 /nfs/dbraw/zinc/41/12/98/458411298.db2.gz ZSFFPYXQRVPGRO-NRFANRHFSA-N 2 1 337.467 3.188 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459658019 458438434 /nfs/dbraw/zinc/43/84/34/458438434.db2.gz IPJZERJQYARABC-HNNXBMFYSA-N 2 1 336.442 3.399 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459658019 458438438 /nfs/dbraw/zinc/43/84/38/458438438.db2.gz IPJZERJQYARABC-HNNXBMFYSA-N 2 1 336.442 3.399 20 0 EGADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423516006 458448542 /nfs/dbraw/zinc/44/85/42/458448542.db2.gz NHZHLPPRLIKDNO-XJKSGUPXSA-N 2 1 331.485 3.148 20 0 EGADMP CCOc1ccc(CNCc2ccc(-n3ccnc3C)nc2)cc1F ZINC000373270806 458448681 /nfs/dbraw/zinc/44/86/81/458448681.db2.gz NJMSDOIGHVCPPW-UHFFFAOYSA-N 2 1 340.402 3.403 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCCC[NH2+]C4CC4)[C@H]3C2)cc1 ZINC000423541794 458455284 /nfs/dbraw/zinc/45/52/84/458455284.db2.gz ACADIFOQHCGGST-JBACZVJFSA-N 2 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[NH2+]C4CC4)[C@H]3C2)cc1 ZINC000423541794 458455289 /nfs/dbraw/zinc/45/52/89/458455289.db2.gz ACADIFOQHCGGST-JBACZVJFSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[NH2+]C4CC4)[C@H]3C2)cc1 ZINC000423541794 458455295 /nfs/dbraw/zinc/45/52/95/458455295.db2.gz ACADIFOQHCGGST-JBACZVJFSA-N 3 1 327.516 3.019 20 0 EGADMP COc1ccc(Br)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459733316 458461929 /nfs/dbraw/zinc/46/19/29/458461929.db2.gz NGZXAQXIWBEWFI-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459739638 458464784 /nfs/dbraw/zinc/46/47/84/458464784.db2.gz TUFKNZHWGBTABI-GOSISDBHSA-N 2 1 326.488 3.311 20 0 EGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459798431 458481508 /nfs/dbraw/zinc/48/15/08/458481508.db2.gz XUOFEYMZAHEIPX-CABCVRRESA-N 2 1 337.895 3.379 20 0 EGADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000468396315 458515818 /nfs/dbraw/zinc/51/58/18/458515818.db2.gz VSPPYIWGSYFGGO-APWZRJJASA-N 2 1 335.923 3.106 20 0 EGADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000468396315 458515823 /nfs/dbraw/zinc/51/58/23/458515823.db2.gz VSPPYIWGSYFGGO-APWZRJJASA-N 2 1 335.923 3.106 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c(Cl)c1 ZINC000431015762 458517035 /nfs/dbraw/zinc/51/70/35/458517035.db2.gz WNQHBDRWBGIYBS-HNNXBMFYSA-N 2 1 349.906 3.359 20 0 EGADMP CCC[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)C1CC[NH2+]CC1 ZINC000431068856 458525540 /nfs/dbraw/zinc/52/55/40/458525540.db2.gz UJRHJEXSFJNSDZ-UHFFFAOYSA-N 2 1 348.878 3.397 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000373768028 458596740 /nfs/dbraw/zinc/59/67/40/458596740.db2.gz CJLLDDRAIZGHGP-UHFFFAOYSA-N 2 1 341.499 3.350 20 0 EGADMP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424287684 458605829 /nfs/dbraw/zinc/60/58/29/458605829.db2.gz JOQJYZLYQKDNMY-CQSZACIVSA-N 2 1 335.879 3.051 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[NH+]1[C@H](C)CC[C@H]1C ZINC000494000259 458614358 /nfs/dbraw/zinc/61/43/58/458614358.db2.gz PNZPCBAKNSHHOT-YFYQMDMQSA-N 2 1 343.515 3.027 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000431746009 458616459 /nfs/dbraw/zinc/61/64/59/458616459.db2.gz STMGCBAHXHIUFU-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000431746009 458616465 /nfs/dbraw/zinc/61/64/65/458616465.db2.gz STMGCBAHXHIUFU-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000431746009 458616471 /nfs/dbraw/zinc/61/64/71/458616471.db2.gz STMGCBAHXHIUFU-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431746525 458617133 /nfs/dbraw/zinc/61/71/33/458617133.db2.gz UVPXRJRFYUALGN-ZHALLVOQSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431746525 458617135 /nfs/dbraw/zinc/61/71/35/458617135.db2.gz UVPXRJRFYUALGN-ZHALLVOQSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431746525 458617136 /nfs/dbraw/zinc/61/71/36/458617136.db2.gz UVPXRJRFYUALGN-ZHALLVOQSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1[C@H](NC(=O)CC[NH+]2CCCC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000494060950 458622349 /nfs/dbraw/zinc/62/23/49/458622349.db2.gz SBVMMEXPLRTIJD-WSTZPKSXSA-N 2 1 343.515 3.030 20 0 EGADMP CC[N@@H+]1CCC[C@@H]1CNc1cc[nH+]c2ccc(Br)cc12 ZINC000503536065 458713323 /nfs/dbraw/zinc/71/33/23/458713323.db2.gz AFWMGUMQIFZZLW-CYBMUJFWSA-N 2 1 334.261 3.315 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNc1cc[nH+]c2ccc(Br)cc12 ZINC000503536065 458713333 /nfs/dbraw/zinc/71/33/33/458713333.db2.gz AFWMGUMQIFZZLW-CYBMUJFWSA-N 2 1 334.261 3.315 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(OC(F)(F)F)c2)CCCO1 ZINC000432358009 458722980 /nfs/dbraw/zinc/72/29/80/458722980.db2.gz NZGVQOAYHXCDIK-CQSZACIVSA-N 2 1 346.393 3.176 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(OC(F)(F)F)c2)CCCO1 ZINC000432358008 458723719 /nfs/dbraw/zinc/72/37/19/458723719.db2.gz NZGVQOAYHXCDIK-AWEZNQCLSA-N 2 1 346.393 3.176 20 0 EGADMP CC(C)(C)c1nc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000530243333 458729334 /nfs/dbraw/zinc/72/93/34/458729334.db2.gz WYLDLSKTWZIHQS-MRXNPFEDSA-N 2 1 337.533 3.031 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000494695847 458731696 /nfs/dbraw/zinc/73/16/96/458731696.db2.gz YMYGLVJGLBANJW-QLFBSQMISA-N 2 1 338.496 3.109 20 0 EGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCOCC(F)(F)F ZINC000471842001 458740015 /nfs/dbraw/zinc/74/00/15/458740015.db2.gz BYHDFAFRUNPZJF-DLBZAZTESA-N 2 1 344.421 3.237 20 0 EGADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000440262460 458798574 /nfs/dbraw/zinc/79/85/74/458798574.db2.gz BXWILGSHYYPHRZ-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1CCN(c2ccccn2)CC1 ZINC000472578450 458802440 /nfs/dbraw/zinc/80/24/40/458802440.db2.gz GPUPLSMVUSVYDQ-FQEVSTJZSA-N 2 1 344.547 3.494 20 0 EGADMP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1CCN(c2ccccn2)CC1 ZINC000472578450 458802448 /nfs/dbraw/zinc/80/24/48/458802448.db2.gz GPUPLSMVUSVYDQ-FQEVSTJZSA-N 2 1 344.547 3.494 20 0 EGADMP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1CCN(c2ccccn2)CC1 ZINC000472578450 458802454 /nfs/dbraw/zinc/80/24/54/458802454.db2.gz GPUPLSMVUSVYDQ-FQEVSTJZSA-N 2 1 344.547 3.494 20 0 EGADMP C[C@H]1C[C@H](NCc2cccc(N3CCC3=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000441194680 458899201 /nfs/dbraw/zinc/89/92/01/458899201.db2.gz GIPVRFGEQVFIKF-PXNSSMCTSA-N 2 1 349.478 3.176 20 0 EGADMP C[C@H]1C[C@H](NCc2cccc(N3CCC3=O)c2)C[N@H+]1Cc1ccccc1 ZINC000441194680 458899208 /nfs/dbraw/zinc/89/92/08/458899208.db2.gz GIPVRFGEQVFIKF-PXNSSMCTSA-N 2 1 349.478 3.176 20 0 EGADMP Cc1ccc(C)c(OCCC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000441256637 458906433 /nfs/dbraw/zinc/90/64/33/458906433.db2.gz AEWAWGNPFFOVIB-SVFBPWRDSA-N 2 1 346.515 3.256 20 0 EGADMP Cc1ccc(C)c(OCCC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000441256622 458906739 /nfs/dbraw/zinc/90/67/39/458906739.db2.gz AEWAWGNPFFOVIB-QKNQBKEWSA-N 2 1 346.515 3.256 20 0 EGADMP C[N@H+](CCC(=O)Nc1cccc(Cl)c1)CC[C@H]1CCCC[NH+]1C ZINC000441351439 458924677 /nfs/dbraw/zinc/92/46/77/458924677.db2.gz CIOLFHGENXNHOR-QGZVFWFLSA-N 2 1 337.895 3.475 20 0 EGADMP C[NH+](CCC(=O)Nc1cccc(Cl)c1)CC[C@H]1CCCC[N@@H+]1C ZINC000441351439 458924681 /nfs/dbraw/zinc/92/46/81/458924681.db2.gz CIOLFHGENXNHOR-QGZVFWFLSA-N 2 1 337.895 3.475 20 0 EGADMP C[NH+](CCC(=O)Nc1cccc(Cl)c1)CC[C@H]1CCCC[N@H+]1C ZINC000441351439 458924685 /nfs/dbraw/zinc/92/46/85/458924685.db2.gz CIOLFHGENXNHOR-QGZVFWFLSA-N 2 1 337.895 3.475 20 0 EGADMP CCOc1ccccc1C[N@@H+]1CCN(CC[NH+]2CCCCC2)[C@H](C)C1 ZINC000441381446 458932912 /nfs/dbraw/zinc/93/29/12/458932912.db2.gz MEHCVAHKEOCROI-LJQANCHMSA-N 2 1 345.531 3.077 20 0 EGADMP CCOc1ccccc1C[N@H+]1CCN(CC[NH+]2CCCCC2)[C@H](C)C1 ZINC000441381446 458932916 /nfs/dbraw/zinc/93/29/16/458932916.db2.gz MEHCVAHKEOCROI-LJQANCHMSA-N 2 1 345.531 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000519311624 458933669 /nfs/dbraw/zinc/93/36/69/458933669.db2.gz DXXXCLQVWRNALE-HDICACEKSA-N 2 1 345.531 3.123 20 0 EGADMP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556178593 458934011 /nfs/dbraw/zinc/93/40/11/458934011.db2.gz FOKVLBVRANSRNW-VSKRKVRLSA-N 2 1 338.495 3.324 20 0 EGADMP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556178593 458934016 /nfs/dbraw/zinc/93/40/16/458934016.db2.gz FOKVLBVRANSRNW-VSKRKVRLSA-N 2 1 338.495 3.324 20 0 EGADMP CCc1cccc(Cl)c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000475700108 458959588 /nfs/dbraw/zinc/95/95/88/458959588.db2.gz MPJHNCMMFLZCBX-UZLBHIALSA-N 2 1 349.950 3.360 20 0 EGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000475700108 458959596 /nfs/dbraw/zinc/95/95/96/458959596.db2.gz MPJHNCMMFLZCBX-UZLBHIALSA-N 2 1 349.950 3.360 20 0 EGADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000531687889 458961721 /nfs/dbraw/zinc/96/17/21/458961721.db2.gz CFRRATJBVNMDED-XWDORNJCSA-N 2 1 329.532 3.142 20 0 EGADMP CC[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000531687889 458961724 /nfs/dbraw/zinc/96/17/24/458961724.db2.gz CFRRATJBVNMDED-XWDORNJCSA-N 2 1 329.532 3.142 20 0 EGADMP CC[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000531687889 458961727 /nfs/dbraw/zinc/96/17/27/458961727.db2.gz CFRRATJBVNMDED-XWDORNJCSA-N 2 1 329.532 3.142 20 0 EGADMP CC[C@H](CN[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000531687889 458961728 /nfs/dbraw/zinc/96/17/28/458961728.db2.gz CFRRATJBVNMDED-XWDORNJCSA-N 2 1 329.532 3.142 20 0 EGADMP CC[C@H](CN[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000531687889 458961733 /nfs/dbraw/zinc/96/17/33/458961733.db2.gz CFRRATJBVNMDED-XWDORNJCSA-N 2 1 329.532 3.142 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000577183186 458993222 /nfs/dbraw/zinc/99/32/22/458993222.db2.gz USYRAZRBWRCMPS-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000531970982 459009925 /nfs/dbraw/zinc/00/99/25/459009925.db2.gz AZTMILPHJOAFPV-VAMGGRTRSA-N 2 1 343.515 3.052 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3C[C@@H](C)O[C@@H](C)C3)CC2)oc1C ZINC000577339411 459018746 /nfs/dbraw/zinc/01/87/46/459018746.db2.gz HUEOPIZZESCKLJ-UOIKSKOESA-N 2 1 335.492 3.049 20 0 EGADMP Cc1ccc(C[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C(C)C)cc1 ZINC000442872191 459048802 /nfs/dbraw/zinc/04/88/02/459048802.db2.gz HOIATZACVLXFAC-FQEVSTJZSA-N 2 1 331.548 3.178 20 0 EGADMP CC(C)[C@H]1C[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2ccccc21 ZINC000442875968 459049466 /nfs/dbraw/zinc/04/94/66/459049466.db2.gz QAMFOMRUSCZZPJ-WOJBJXKFSA-N 2 1 329.532 3.487 20 0 EGADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442878130 459049606 /nfs/dbraw/zinc/04/96/06/459049606.db2.gz SHLZPSLHFOHJSE-LJQANCHMSA-N 2 1 335.511 3.008 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1(C)C ZINC000442878161 459049775 /nfs/dbraw/zinc/04/97/75/459049775.db2.gz SNWUYDZCLIMAFL-GOSISDBHSA-N 2 1 335.923 3.333 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@H]2CCc2ccccc2)CC1(C)C ZINC000442881463 459051208 /nfs/dbraw/zinc/05/12/08/459051208.db2.gz ZMZHUVLPNVOJPM-LEWJYISDSA-N 2 1 343.559 3.404 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000496064308 459053126 /nfs/dbraw/zinc/05/31/26/459053126.db2.gz JVSSUUDFZHOSRZ-IXDOHACOSA-N 2 1 339.524 3.144 20 0 EGADMP CCSc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442890920 459057099 /nfs/dbraw/zinc/05/70/99/459057099.db2.gz PNOFAKUVIXGDMN-MRXNPFEDSA-N 2 1 335.561 3.475 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000478395450 459087665 /nfs/dbraw/zinc/08/76/65/459087665.db2.gz BHDQDWKHMGPSKX-PMACEKPBSA-N 2 1 345.531 3.103 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000532463269 459092831 /nfs/dbraw/zinc/09/28/31/459092831.db2.gz MFSQUBHIQZKHDC-ZDUSSCGKSA-N 2 1 326.868 3.110 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000532525450 459105583 /nfs/dbraw/zinc/10/55/83/459105583.db2.gz XTMIADFUCIYPGX-RRFJBIMHSA-N 2 1 337.895 3.438 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000532525450 459105588 /nfs/dbraw/zinc/10/55/88/459105588.db2.gz XTMIADFUCIYPGX-RRFJBIMHSA-N 2 1 337.895 3.438 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000496272584 459131388 /nfs/dbraw/zinc/13/13/88/459131388.db2.gz HOOWNCLQIOHQJH-WCXIOVBPSA-N 2 1 341.540 3.388 20 0 EGADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567605787 459131869 /nfs/dbraw/zinc/13/18/69/459131869.db2.gz FLNMDWMKOUGVPN-SYYKKAFVSA-N 2 1 338.495 3.263 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)Cc3ccsc3)CC2)CC1 ZINC000567604159 459131938 /nfs/dbraw/zinc/13/19/38/459131938.db2.gz OBSZNUHRNSOTJI-KRWDZBQOSA-N 2 1 335.561 3.171 20 0 EGADMP CC[N@H+](CC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1)C(C)C ZINC000496350828 459161208 /nfs/dbraw/zinc/16/12/08/459161208.db2.gz OZROTDKTFFLRHP-GOSISDBHSA-N 2 1 347.503 3.360 20 0 EGADMP CC[N@@H+](CC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1)C(C)C ZINC000496350828 459161214 /nfs/dbraw/zinc/16/12/14/459161214.db2.gz OZROTDKTFFLRHP-GOSISDBHSA-N 2 1 347.503 3.360 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(N2CCOC2=O)c1 ZINC000496402047 459181057 /nfs/dbraw/zinc/18/10/57/459181057.db2.gz ZXCHFNHKYDZZJU-OAHLLOKOSA-N 2 1 331.460 3.168 20 0 EGADMP CC(C)[NH2+]C1(CO)CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000578335720 459185271 /nfs/dbraw/zinc/18/52/71/459185271.db2.gz OVHNILFSNRGNMU-UHFFFAOYSA-N 2 1 349.906 3.120 20 0 EGADMP Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786173 459219470 /nfs/dbraw/zinc/21/94/70/459219470.db2.gz FNHHDIYLADESGW-GOSISDBHSA-N 2 1 345.531 3.052 20 0 EGADMP Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)c1 ZINC000590786873 459219767 /nfs/dbraw/zinc/21/97/67/459219767.db2.gz FHIQTQQLKXFPCW-FQEVSTJZSA-N 2 1 348.531 3.095 20 0 EGADMP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)C(C)C ZINC000590787212 459219841 /nfs/dbraw/zinc/21/98/41/459219841.db2.gz VCXJLJBKCNXCKV-QGZVFWFLSA-N 2 1 325.541 3.073 20 0 EGADMP C[NH+](CCc1ccc(Br)cc1)CC[C@@H]1CCC[N@@H+]1C ZINC000534019085 459285826 /nfs/dbraw/zinc/28/58/26/459285826.db2.gz HWAOMVRCAKIHHW-INIZCTEOSA-N 2 1 325.294 3.408 20 0 EGADMP C[NH+](CCc1ccc(Br)cc1)CC[C@@H]1CCC[N@H+]1C ZINC000534019085 459285833 /nfs/dbraw/zinc/28/58/33/459285833.db2.gz HWAOMVRCAKIHHW-INIZCTEOSA-N 2 1 325.294 3.408 20 0 EGADMP C[N@H+](CCc1ccc(Br)cc1)CC[C@H]1CCC[NH+]1C ZINC000534019089 459285594 /nfs/dbraw/zinc/28/55/94/459285594.db2.gz HWAOMVRCAKIHHW-MRXNPFEDSA-N 2 1 325.294 3.408 20 0 EGADMP C[NH+](CCc1ccc(Br)cc1)CC[C@H]1CCC[N@@H+]1C ZINC000534019089 459285598 /nfs/dbraw/zinc/28/55/98/459285598.db2.gz HWAOMVRCAKIHHW-MRXNPFEDSA-N 2 1 325.294 3.408 20 0 EGADMP C[NH+](CCc1ccc(Br)cc1)CC[C@H]1CCC[N@H+]1C ZINC000534019089 459285603 /nfs/dbraw/zinc/28/56/03/459285603.db2.gz HWAOMVRCAKIHHW-MRXNPFEDSA-N 2 1 325.294 3.408 20 0 EGADMP C[N@H+](CCc1ccc(Br)cc1)CC[C@@H]1CCC[NH+]1C ZINC000534019085 459285819 /nfs/dbraw/zinc/28/58/19/459285819.db2.gz HWAOMVRCAKIHHW-INIZCTEOSA-N 2 1 325.294 3.408 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000568707935 459330725 /nfs/dbraw/zinc/33/07/25/459330725.db2.gz BTEDYPIKWPPRCD-UHFFFAOYSA-N 2 1 331.504 3.133 20 0 EGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000582235483 459331577 /nfs/dbraw/zinc/33/15/77/459331577.db2.gz QKTBSOBJOUGNNW-ZWKOTPCHSA-N 2 1 338.455 3.084 20 0 EGADMP Cc1nccn1CCC[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496807377 459332030 /nfs/dbraw/zinc/33/20/30/459332030.db2.gz CLILHMXRJAZZFL-HNNXBMFYSA-N 2 1 342.443 3.231 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496807377 459332032 /nfs/dbraw/zinc/33/20/32/459332032.db2.gz CLILHMXRJAZZFL-HNNXBMFYSA-N 2 1 342.443 3.231 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496807377 459332037 /nfs/dbraw/zinc/33/20/37/459332037.db2.gz CLILHMXRJAZZFL-HNNXBMFYSA-N 2 1 342.443 3.231 20 0 EGADMP COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000524156291 459349053 /nfs/dbraw/zinc/34/90/53/459349053.db2.gz KCOAPZBJXPCSKN-MRXNPFEDSA-N 2 1 347.503 3.074 20 0 EGADMP COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000524156291 459349056 /nfs/dbraw/zinc/34/90/56/459349056.db2.gz KCOAPZBJXPCSKN-MRXNPFEDSA-N 2 1 347.503 3.074 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000524156145 459349515 /nfs/dbraw/zinc/34/95/15/459349515.db2.gz NBEKNNPGZLYZQB-GOSISDBHSA-N 2 1 345.531 3.086 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCN(c3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000560536024 459368053 /nfs/dbraw/zinc/36/80/53/459368053.db2.gz FWVQOAQABJKZBD-QHAWAJNXSA-N 2 1 327.516 3.365 20 0 EGADMP CCc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c2ccccc2[nH+]1 ZINC000568968511 459374683 /nfs/dbraw/zinc/37/46/83/459374683.db2.gz MYBYHKVLOJRTFH-NVXWUHKLSA-N 2 1 325.456 3.097 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)Oc1ccc(Br)cc1 ZINC000483829921 459394340 /nfs/dbraw/zinc/39/43/40/459394340.db2.gz BPMMUPWKPYNOHZ-WOSRLPQWSA-N 2 1 341.293 3.146 20 0 EGADMP CCCCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000486210156 459492544 /nfs/dbraw/zinc/49/25/44/459492544.db2.gz BANRTNNPPZXBHU-NVXWUHKLSA-N 2 1 337.552 3.122 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000497227548 459494533 /nfs/dbraw/zinc/49/45/33/459494533.db2.gz OATMQLGQBIVXIH-SFHVURJKSA-N 2 1 348.491 3.105 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000497227548 459494539 /nfs/dbraw/zinc/49/45/39/459494539.db2.gz OATMQLGQBIVXIH-SFHVURJKSA-N 2 1 348.491 3.105 20 0 EGADMP O[C@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)C1CCCCC1 ZINC000562061018 459508068 /nfs/dbraw/zinc/50/80/68/459508068.db2.gz DESXQROPHUZUAA-YPAWHYETSA-N 2 1 342.527 3.382 20 0 EGADMP O[C@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C1CCCCC1 ZINC000562061018 459508073 /nfs/dbraw/zinc/50/80/73/459508073.db2.gz DESXQROPHUZUAA-YPAWHYETSA-N 2 1 342.527 3.382 20 0 EGADMP O[C@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)C1CCCCC1 ZINC000562061018 459508078 /nfs/dbraw/zinc/50/80/78/459508078.db2.gz DESXQROPHUZUAA-YPAWHYETSA-N 2 1 342.527 3.382 20 0 EGADMP CO[C@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000569870856 459522883 /nfs/dbraw/zinc/52/28/83/459522883.db2.gz NXKMUPXXQKWFPF-BHIFYINESA-N 2 1 336.479 3.438 20 0 EGADMP CO[C@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000569870856 459522885 /nfs/dbraw/zinc/52/28/85/459522885.db2.gz NXKMUPXXQKWFPF-BHIFYINESA-N 2 1 336.479 3.438 20 0 EGADMP CO[C@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000569870856 459522887 /nfs/dbraw/zinc/52/28/87/459522887.db2.gz NXKMUPXXQKWFPF-BHIFYINESA-N 2 1 336.479 3.438 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C/C=C\c3ccc(Cl)cc3)C2)CC1 ZINC000526055929 459539909 /nfs/dbraw/zinc/53/99/09/459539909.db2.gz MSKLDCHWAYBDSO-HZQHCPKGSA-N 2 1 347.934 3.454 20 0 EGADMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1(C(=O)OC)CCC1 ZINC000497856989 459559973 /nfs/dbraw/zinc/55/99/73/459559973.db2.gz LNVXXHHSXSWKHW-KSZLIROESA-N 2 1 338.536 3.456 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C/C=C\c3ccc(F)cc3F)C2)CC1 ZINC000542703158 459584092 /nfs/dbraw/zinc/58/40/92/459584092.db2.gz HYDJYGPBORNOHA-LLHWWHOWSA-N 2 1 349.469 3.078 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C/C=C\c3ccc(F)cc3F)C2)CC1 ZINC000542703158 459584096 /nfs/dbraw/zinc/58/40/96/459584096.db2.gz HYDJYGPBORNOHA-LLHWWHOWSA-N 2 1 349.469 3.078 20 0 EGADMP CSc1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000542824065 459600873 /nfs/dbraw/zinc/60/08/73/459600873.db2.gz BCKZUJBKFFKADN-SFHVURJKSA-N 2 1 333.545 3.009 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@](C)(O)C(F)(F)F)[C@@H]1c1cccs1 ZINC000583867301 459610155 /nfs/dbraw/zinc/61/01/55/459610155.db2.gz ZHNOVLPWRQVJGH-BNOWGMLFSA-N 2 1 336.423 3.034 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@](C)(O)C(F)(F)F)[C@@H]1c1cccs1 ZINC000583867301 459610162 /nfs/dbraw/zinc/61/01/62/459610162.db2.gz ZHNOVLPWRQVJGH-BNOWGMLFSA-N 2 1 336.423 3.034 20 0 EGADMP c1ccc(-c2noc([C@H]3CCCC[N@@H+]3CC[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000583922371 459619163 /nfs/dbraw/zinc/61/91/63/459619163.db2.gz OAHZSJHNUYQZRZ-DOTOQJQBSA-N 2 1 326.444 3.263 20 0 EGADMP O[C@]1(C[NH2+]C2CC(c3ccccc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000543067401 459620802 /nfs/dbraw/zinc/62/08/02/459620802.db2.gz RRULGNZKVYPUIB-HRTMPFAESA-N 2 1 336.479 3.159 20 0 EGADMP O[C@]1(C[NH2+]C2CC(c3ccccc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000543067401 459620810 /nfs/dbraw/zinc/62/08/10/459620810.db2.gz RRULGNZKVYPUIB-HRTMPFAESA-N 2 1 336.479 3.159 20 0 EGADMP Cc1ccc(CCC[N@H+]2CCn3c(Cc4ccccc4)nnc3C2)cn1 ZINC000527510622 459652099 /nfs/dbraw/zinc/65/20/99/459652099.db2.gz VFXXFDQOVIZONV-UHFFFAOYSA-N 2 1 347.466 3.021 20 0 EGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2sccc2C2CC2)CC1 ZINC000573398083 459669818 /nfs/dbraw/zinc/66/98/18/459669818.db2.gz XRVQLPCIGZFTFL-UHFFFAOYSA-N 2 1 342.468 3.025 20 0 EGADMP Fc1c(Br)ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1F ZINC000527638559 459680509 /nfs/dbraw/zinc/68/05/09/459680509.db2.gz VMMHWKPJKPLOKW-NEPJUHHUSA-N 2 1 345.231 3.444 20 0 EGADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000562958533 459681005 /nfs/dbraw/zinc/68/10/05/459681005.db2.gz MRLFSMQKEUXQOL-FCGDIQPGSA-N 2 1 335.923 3.453 20 0 EGADMP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CCCCC1 ZINC000543740180 459693085 /nfs/dbraw/zinc/69/30/85/459693085.db2.gz BKKYRPLODQDWQG-CBPXPLCBSA-N 2 1 342.527 3.428 20 0 EGADMP C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000563064524 459707887 /nfs/dbraw/zinc/70/78/87/459707887.db2.gz MRQSHNQKMMYAPI-OXQOHEQNSA-N 2 1 343.515 3.065 20 0 EGADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000563064522 459707953 /nfs/dbraw/zinc/70/79/53/459707953.db2.gz MRQSHNQKMMYAPI-JXFKEZNVSA-N 2 1 343.515 3.065 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2CC[NH2+][C@H]2CC)c1 ZINC000563090419 459714300 /nfs/dbraw/zinc/71/43/00/459714300.db2.gz NVFVHRUAHIDILF-PMACEKPBSA-N 2 1 345.531 3.313 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000573694916 459719639 /nfs/dbraw/zinc/71/96/39/459719639.db2.gz HRJNBLWAPFEBHG-MRXNPFEDSA-N 2 1 335.492 3.187 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000573694916 459719645 /nfs/dbraw/zinc/71/96/45/459719645.db2.gz HRJNBLWAPFEBHG-MRXNPFEDSA-N 2 1 335.492 3.187 20 0 EGADMP c1ccc(C[NH+]2CCC(NC[C@@H]3CC[N@@H+]3C3CCCCC3)CC2)nc1 ZINC000527751029 459724321 /nfs/dbraw/zinc/72/43/21/459724321.db2.gz DQDFMUCTTQLSHE-NRFANRHFSA-N 2 1 342.531 3.043 20 0 EGADMP c1ccc(C[NH+]2CCC(NC[C@@H]3CC[N@H+]3C3CCCCC3)CC2)nc1 ZINC000527751029 459724325 /nfs/dbraw/zinc/72/43/25/459724325.db2.gz DQDFMUCTTQLSHE-NRFANRHFSA-N 2 1 342.531 3.043 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[C@H]1c1cccs1 ZINC000584408742 459730710 /nfs/dbraw/zinc/73/07/10/459730710.db2.gz FMRHTGZFAHUGDN-RCJHGTSTSA-N 2 1 349.544 3.155 20 0 EGADMP CC[N@H+](CCC1CC[NH+](Cc2cc(C(C)=O)no2)CC1)CC1CC1 ZINC000574051252 459773971 /nfs/dbraw/zinc/77/39/71/459773971.db2.gz RQCHEMGYICNLDG-UHFFFAOYSA-N 2 1 333.476 3.211 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(C(C)=O)no2)CC1)CC1CC1 ZINC000574051252 459773977 /nfs/dbraw/zinc/77/39/77/459773977.db2.gz RQCHEMGYICNLDG-UHFFFAOYSA-N 2 1 333.476 3.211 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC45CC(C4)CO5)[C@@H]3C2)cc1 ZINC000527982005 459787972 /nfs/dbraw/zinc/78/79/72/459787972.db2.gz PQJXLJMOBODBHJ-ZQYRLJTRSA-N 2 1 340.511 3.446 20 0 EGADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000528004681 459793284 /nfs/dbraw/zinc/79/32/84/459793284.db2.gz RQLDXRNTKZEPAA-WCORJRIASA-N 2 1 328.500 3.299 20 0 EGADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000584787399 459802255 /nfs/dbraw/zinc/80/22/55/459802255.db2.gz DULIEMBCCHAEQU-UHFFFAOYSA-N 2 1 343.515 3.236 20 0 EGADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC000545151940 459803532 /nfs/dbraw/zinc/80/35/32/459803532.db2.gz HULFRBOHJFSHNQ-KRWDZBQOSA-N 2 1 336.888 3.225 20 0 EGADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC000545151940 459803536 /nfs/dbraw/zinc/80/35/36/459803536.db2.gz HULFRBOHJFSHNQ-KRWDZBQOSA-N 2 1 336.888 3.225 20 0 EGADMP COC(=O)c1ccc(CNC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1F ZINC000597068254 459829805 /nfs/dbraw/zinc/82/98/05/459829805.db2.gz VVFWAEISJCVUOM-MRXNPFEDSA-N 2 1 336.451 3.070 20 0 EGADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1F ZINC000597068254 459829811 /nfs/dbraw/zinc/82/98/11/459829811.db2.gz VVFWAEISJCVUOM-MRXNPFEDSA-N 2 1 336.451 3.070 20 0 EGADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1F ZINC000597068254 459829816 /nfs/dbraw/zinc/82/98/16/459829816.db2.gz VVFWAEISJCVUOM-MRXNPFEDSA-N 2 1 336.451 3.070 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC3CCC2(C[NH3+])CC3)cc1)C1CC1 ZINC000566405561 459858634 /nfs/dbraw/zinc/85/86/34/459858634.db2.gz AREVWUOFBPUOJC-UHFFFAOYSA-N 2 1 341.499 3.014 20 0 EGADMP CC1=CCN(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000545865176 459863265 /nfs/dbraw/zinc/86/32/65/459863265.db2.gz FXFANJKBIRTSPZ-BHIFYINESA-N 2 1 339.527 3.139 20 0 EGADMP CC1=CC[N@H+](CCN[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)CC1 ZINC000545865176 459863269 /nfs/dbraw/zinc/86/32/69/459863269.db2.gz FXFANJKBIRTSPZ-BHIFYINESA-N 2 1 339.527 3.139 20 0 EGADMP CC1=CC[N@@H+](CCN[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)CC1 ZINC000545865176 459863276 /nfs/dbraw/zinc/86/32/76/459863276.db2.gz FXFANJKBIRTSPZ-BHIFYINESA-N 2 1 339.527 3.139 20 0 EGADMP CC1=CC[NH+](CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000545865176 459863284 /nfs/dbraw/zinc/86/32/84/459863284.db2.gz FXFANJKBIRTSPZ-BHIFYINESA-N 2 1 339.527 3.139 20 0 EGADMP CC1=CC[NH+](CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000545865176 459863286 /nfs/dbraw/zinc/86/32/86/459863286.db2.gz FXFANJKBIRTSPZ-BHIFYINESA-N 2 1 339.527 3.139 20 0 EGADMP [NH3+][C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C2 ZINC000621781160 460061525 /nfs/dbraw/zinc/06/15/25/460061525.db2.gz ZRACYVRZTXJOFV-AVRDEDQJSA-N 2 1 349.478 3.495 20 0 EGADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C2 ZINC000621781160 460061529 /nfs/dbraw/zinc/06/15/29/460061529.db2.gz ZRACYVRZTXJOFV-AVRDEDQJSA-N 2 1 349.478 3.495 20 0 EGADMP COC(=O)c1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cc1F ZINC000603111432 460245252 /nfs/dbraw/zinc/24/52/52/460245252.db2.gz QWXNTWIDOPFORE-UHFFFAOYSA-N 2 1 336.451 3.310 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nc(-c3cccnc3)no2)CC1 ZINC000603411264 460300542 /nfs/dbraw/zinc/30/05/42/460300542.db2.gz SDPNSTRSETYXNZ-HNNXBMFYSA-N 2 1 343.475 3.245 20 0 EGADMP C/C(=C/c1ccccc1)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000611276385 460326924 /nfs/dbraw/zinc/32/69/24/460326924.db2.gz NDVKAFHRJMYFPF-OHUBLEDJSA-N 2 1 327.516 3.190 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000626063813 460359851 /nfs/dbraw/zinc/35/98/51/460359851.db2.gz RDLZANLIKYPTFO-HSALFYBXSA-N 2 1 343.515 3.017 20 0 EGADMP CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000626159521 460404588 /nfs/dbraw/zinc/40/45/88/460404588.db2.gz OPTIWBANSBZDKA-NRFANRHFSA-N 2 1 343.515 3.163 20 0 EGADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC2)C1 ZINC000604390109 460418522 /nfs/dbraw/zinc/41/85/22/460418522.db2.gz RWMAVVRLRLPCKY-DLBGWFIVSA-N 2 1 345.575 3.305 20 0 EGADMP Cc1cc(C)c([C@H](C)[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(C)c1 ZINC000604389368 460418551 /nfs/dbraw/zinc/41/85/51/460418551.db2.gz ZKEDRZZDTZRQOV-VQTJNVASSA-N 2 1 329.532 3.385 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)C(C)C)cc2)C1 ZINC000619899555 460465724 /nfs/dbraw/zinc/46/57/24/460465724.db2.gz QVCZEZWNCUQPCN-LJQANCHMSA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+]1CC[C@@H](NC(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)C1 ZINC000619899555 460465732 /nfs/dbraw/zinc/46/57/32/460465732.db2.gz QVCZEZWNCUQPCN-LJQANCHMSA-N 2 1 331.504 3.131 20 0 EGADMP CCC[NH+]1CC[C@@H](NC(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)C1 ZINC000619899555 460465739 /nfs/dbraw/zinc/46/57/39/460465739.db2.gz QVCZEZWNCUQPCN-LJQANCHMSA-N 2 1 331.504 3.131 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000634732901 460498319 /nfs/dbraw/zinc/49/83/19/460498319.db2.gz ROYXACQBVCQOKM-RLLQIKCJSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCN1Cc1ccccc1 ZINC000634732901 460498328 /nfs/dbraw/zinc/49/83/28/460498328.db2.gz ROYXACQBVCQOKM-RLLQIKCJSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCc2c1cnn2C ZINC000631667729 460501286 /nfs/dbraw/zinc/50/12/86/460501286.db2.gz RNXVQBKIVPQZKE-POAQFYNOSA-N 2 1 338.499 3.155 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ncc(Br)cc1F ZINC000623429794 460545771 /nfs/dbraw/zinc/54/57/71/460545771.db2.gz QJAQHNMMJCSMEU-UHFFFAOYSA-N 2 1 341.228 3.058 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000635337979 460750199 /nfs/dbraw/zinc/75/01/99/460750199.db2.gz NYLOPMBBNORTGG-FQEVSTJZSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635337979 460750204 /nfs/dbraw/zinc/75/02/04/460750204.db2.gz NYLOPMBBNORTGG-FQEVSTJZSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635337979 460750212 /nfs/dbraw/zinc/75/02/12/460750212.db2.gz NYLOPMBBNORTGG-FQEVSTJZSA-N 2 1 343.515 3.160 20 0 EGADMP COC(=O)C1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000601289910 460778060 /nfs/dbraw/zinc/77/80/60/460778060.db2.gz WECBDYZLVPMPKG-OXHPOLQJSA-N 2 1 344.499 3.076 20 0 EGADMP COc1cccc(CCC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629561887 460809560 /nfs/dbraw/zinc/80/95/60/460809560.db2.gz LDKWCYYYAMWCMM-GOEBONIOSA-N 2 1 330.394 3.087 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CCCOCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629561848 460809902 /nfs/dbraw/zinc/80/99/02/460809902.db2.gz JVHZTHPZRZENBI-HOTGVXAUSA-N 2 1 330.394 3.052 20 0 EGADMP Cc1ccccc1OCCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563544 460810928 /nfs/dbraw/zinc/81/09/28/460810928.db2.gz RPHXDZLZYLNZCI-CABCVRRESA-N 2 1 330.394 3.223 20 0 EGADMP Cc1ccccc1OCCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563544 460810932 /nfs/dbraw/zinc/81/09/32/460810932.db2.gz RPHXDZLZYLNZCI-CABCVRRESA-N 2 1 330.394 3.223 20 0 EGADMP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)c1ccc2ccccc2c1)C1CC1 ZINC000629612018 460828462 /nfs/dbraw/zinc/82/84/62/460828462.db2.gz ORNFQYSUTKWBCL-HXUWFJFHSA-N 2 1 326.484 3.162 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)c1ccc2ccccc2c1)C1CC1 ZINC000629612018 460828472 /nfs/dbraw/zinc/82/84/72/460828472.db2.gz ORNFQYSUTKWBCL-HXUWFJFHSA-N 2 1 326.484 3.162 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000624121691 460871506 /nfs/dbraw/zinc/87/15/06/460871506.db2.gz BBIOELVFPVPLRA-UKRRQHHQSA-N 2 1 325.522 3.023 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000624288648 460945551 /nfs/dbraw/zinc/94/55/51/460945551.db2.gz UBWOUPVYXVFQDZ-INIZCTEOSA-N 2 1 331.287 3.491 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000621333952 460993548 /nfs/dbraw/zinc/99/35/48/460993548.db2.gz YYHPIRGODAYOIO-IBGZPJMESA-N 2 1 339.483 3.135 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000621333952 460993554 /nfs/dbraw/zinc/99/35/54/460993554.db2.gz YYHPIRGODAYOIO-IBGZPJMESA-N 2 1 339.483 3.135 20 0 EGADMP CCCCc1nc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000652348557 461142168 /nfs/dbraw/zinc/14/21/68/461142168.db2.gz IDUUODAFNMMTTN-YQQAZPJKSA-N 2 1 337.533 3.204 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000652347772 461142406 /nfs/dbraw/zinc/14/24/06/461142406.db2.gz LMHBTPRISROMIW-QRQLOZEOSA-N 2 1 336.907 3.491 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000646243228 461144684 /nfs/dbraw/zinc/14/46/84/461144684.db2.gz AYJMLTGKKCHKRV-FQEVSTJZSA-N 2 1 340.471 3.003 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000646243228 461144691 /nfs/dbraw/zinc/14/46/91/461144691.db2.gz AYJMLTGKKCHKRV-FQEVSTJZSA-N 2 1 340.471 3.003 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000646243228 461144694 /nfs/dbraw/zinc/14/46/94/461144694.db2.gz AYJMLTGKKCHKRV-FQEVSTJZSA-N 2 1 340.471 3.003 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000646243228 461144697 /nfs/dbraw/zinc/14/46/97/461144697.db2.gz AYJMLTGKKCHKRV-FQEVSTJZSA-N 2 1 340.471 3.003 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCc2nc(-c3ccccc3)no2)[C@H]1CC[NH3+] ZINC000652354186 461150110 /nfs/dbraw/zinc/15/01/10/461150110.db2.gz PEQKABXQMRMPCR-WBVHZDCISA-N 2 1 328.460 3.119 20 0 EGADMP Cc1nnsc1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000662270347 461157952 /nfs/dbraw/zinc/15/79/52/461157952.db2.gz JTIYCFLUXIIANE-SJORKVTESA-N 2 1 330.501 3.019 20 0 EGADMP Cc1nnsc1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000662270347 461157957 /nfs/dbraw/zinc/15/79/57/461157957.db2.gz JTIYCFLUXIIANE-SJORKVTESA-N 2 1 330.501 3.019 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2coc(-c3cccs3)n2)C1 ZINC000652363051 461157995 /nfs/dbraw/zinc/15/79/95/461157995.db2.gz WIXSKPZTUVHPLL-FVQBIDKESA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2coc(-c3cccs3)n2)C1 ZINC000652363051 461157999 /nfs/dbraw/zinc/15/79/99/461157999.db2.gz WIXSKPZTUVHPLL-FVQBIDKESA-N 2 1 347.484 3.264 20 0 EGADMP Fc1ccc(SCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000662275132 461161207 /nfs/dbraw/zinc/16/12/07/461161207.db2.gz SLEJJQKEMPHAOY-ZIAGYGMSSA-N 2 1 326.456 3.378 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc(C[NH+](C)C2CCCCC2)nn1 ZINC000641169405 461161755 /nfs/dbraw/zinc/16/17/55/461161755.db2.gz MBNMPUZKCNKQTI-LJQANCHMSA-N 2 1 333.524 3.306 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1Cn1cc(C[N@H+](C)C2CCCCC2)nn1 ZINC000641169405 461161764 /nfs/dbraw/zinc/16/17/64/461161764.db2.gz MBNMPUZKCNKQTI-LJQANCHMSA-N 2 1 333.524 3.306 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1Cn1cc(C[N@@H+](C)C2CCCCC2)nn1 ZINC000641169405 461161774 /nfs/dbraw/zinc/16/17/74/461161774.db2.gz MBNMPUZKCNKQTI-LJQANCHMSA-N 2 1 333.524 3.306 20 0 EGADMP CCO[C@H](C)c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cs1 ZINC000662291546 461170589 /nfs/dbraw/zinc/17/05/89/461170589.db2.gz HYYKZLTUSCIQJL-ZBFHGGJFSA-N 2 1 337.533 3.452 20 0 EGADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295342 461172041 /nfs/dbraw/zinc/17/20/41/461172041.db2.gz QGPUGZSSPQDLQF-LJQANCHMSA-N 2 1 344.499 3.500 20 0 EGADMP Cc1ccccc1-c1noc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662297793 461174555 /nfs/dbraw/zinc/17/45/55/461174555.db2.gz RTKJMIKXJKYPLI-QGZVFWFLSA-N 2 1 340.471 3.257 20 0 EGADMP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298360 461176071 /nfs/dbraw/zinc/17/60/71/461176071.db2.gz VRYLONVPYQWWPD-HOCLYGCPSA-N 2 1 340.471 3.108 20 0 EGADMP C[N@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)CC(C)(C)[NH3+] ZINC000662296927 461176429 /nfs/dbraw/zinc/17/64/29/461176429.db2.gz FWNSMWVJUKWKHC-UHFFFAOYSA-N 2 1 341.455 3.477 20 0 EGADMP C[N@@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)CC(C)(C)[NH3+] ZINC000662296927 461176433 /nfs/dbraw/zinc/17/64/33/461176433.db2.gz FWNSMWVJUKWKHC-UHFFFAOYSA-N 2 1 341.455 3.477 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])no2)cc1 ZINC000662314000 461186505 /nfs/dbraw/zinc/18/65/05/461186505.db2.gz LGBJNSBOICGNCE-RHSMWYFYSA-N 2 1 344.459 3.085 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2nc3ccccc3s2)[C@@H]1CCC[NH3+] ZINC000662317476 461190270 /nfs/dbraw/zinc/19/02/70/461190270.db2.gz QSFSBICZIXVOSV-UKRRQHHQSA-N 2 1 346.500 3.074 20 0 EGADMP C[NH+](C)CCOC1CC[NH+](Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000638061665 461220718 /nfs/dbraw/zinc/22/07/18/461220718.db2.gz KQXMJNFOTDSSTN-UHFFFAOYSA-N 2 1 346.302 3.118 20 0 EGADMP OCc1ccnc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000641429551 461245912 /nfs/dbraw/zinc/24/59/12/461245912.db2.gz UZDCRDZGZQIDLL-OAQYLSRUSA-N 2 1 337.467 3.066 20 0 EGADMP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000638120848 461253799 /nfs/dbraw/zinc/25/37/99/461253799.db2.gz APUZRNPHDCLWBK-YQQAZPJKSA-N 2 1 337.533 3.011 20 0 EGADMP CC(C)O[C@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649702460 461286628 /nfs/dbraw/zinc/28/66/28/461286628.db2.gz DXTDHGJYTRJYJE-OALUTQOASA-N 2 1 326.525 3.155 20 0 EGADMP FC1(F)CC12CC[NH+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000649773463 461337152 /nfs/dbraw/zinc/33/71/52/461337152.db2.gz UFOATONHTFAQLW-UHFFFAOYSA-N 2 1 336.426 3.140 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662674704 461343184 /nfs/dbraw/zinc/34/31/84/461343184.db2.gz FTRWLJXLSWTBOU-APWZRJJASA-N 2 1 343.515 3.065 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662674706 461343888 /nfs/dbraw/zinc/34/38/88/461343888.db2.gz FTRWLJXLSWTBOU-QFBILLFUSA-N 2 1 343.515 3.065 20 0 EGADMP CC(C)(C)c1ccc(OCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655701054 461372162 /nfs/dbraw/zinc/37/21/62/461372162.db2.gz QAJGOOXUJTUIAK-IBGZPJMESA-N 2 1 346.515 3.206 20 0 EGADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000655703690 461373874 /nfs/dbraw/zinc/37/38/74/461373874.db2.gz JTBHNHUIZKNXEP-SFHVURJKSA-N 2 1 336.907 3.461 20 0 EGADMP COc1ccc([C@H](C)CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655716259 461385065 /nfs/dbraw/zinc/38/50/65/461385065.db2.gz VFRQPNXQBQCBRL-UTKZUKDTSA-N 2 1 346.515 3.422 20 0 EGADMP Cc1nnsc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000638363774 461388123 /nfs/dbraw/zinc/38/81/23/461388123.db2.gz RCIQFKXQNBUJSU-AWEZNQCLSA-N 2 1 330.501 3.368 20 0 EGADMP Cc1nnsc1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000638363774 461388130 /nfs/dbraw/zinc/38/81/30/461388130.db2.gz RCIQFKXQNBUJSU-AWEZNQCLSA-N 2 1 330.501 3.368 20 0 EGADMP CC[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Oc1ccccc1C ZINC000655730800 461399425 /nfs/dbraw/zinc/39/94/25/461399425.db2.gz NEVZTLYHQCDFST-UXHICEINSA-N 2 1 346.515 3.385 20 0 EGADMP Cc1c2cc(F)ccc2oc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638418776 461420281 /nfs/dbraw/zinc/42/02/81/461420281.db2.gz OREFHLXQOQNZKY-UHFFFAOYSA-N 2 1 334.435 3.205 20 0 EGADMP CC[N@@H+](CCN[C@@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000638479454 461447755 /nfs/dbraw/zinc/44/77/55/461447755.db2.gz MYWWEFKMCCMYJZ-WIYYLYMNSA-N 2 1 327.516 3.428 20 0 EGADMP CC[NH+](CCN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000638479454 461447771 /nfs/dbraw/zinc/44/77/71/461447771.db2.gz MYWWEFKMCCMYJZ-WIYYLYMNSA-N 2 1 327.516 3.428 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1O ZINC000668820343 461450977 /nfs/dbraw/zinc/45/09/77/461450977.db2.gz UHVDQUJVLITELS-LPHOPBHVSA-N 2 1 346.515 3.434 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631042816 461495825 /nfs/dbraw/zinc/49/58/25/461495825.db2.gz TZYQMZXXRIBRPC-MRXNPFEDSA-N 2 1 325.456 3.309 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000653109146 461505190 /nfs/dbraw/zinc/50/51/90/461505190.db2.gz WCEYVDFUESCXCY-YLJYHZDGSA-N 2 1 343.515 3.067 20 0 EGADMP CO[C@@H](C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CCOCC1 ZINC000638612062 461505412 /nfs/dbraw/zinc/50/54/12/461505412.db2.gz LUJGPKAWRRFYME-UTKZUKDTSA-N 2 1 346.515 3.243 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[NH2+]CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000653113035 461507304 /nfs/dbraw/zinc/50/73/04/461507304.db2.gz QLPCBJKMYUOQMY-SXLOBPIMSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cc(F)ccc1F ZINC000638666114 461521298 /nfs/dbraw/zinc/52/12/98/461521298.db2.gz CKTJSMLVTFXLIR-QGZVFWFLSA-N 2 1 326.431 3.241 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000659979172 461526686 /nfs/dbraw/zinc/52/66/86/461526686.db2.gz JFGVKWBMWYJMCA-HNNXBMFYSA-N 2 1 333.501 3.229 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000659979172 461526690 /nfs/dbraw/zinc/52/66/90/461526690.db2.gz JFGVKWBMWYJMCA-HNNXBMFYSA-N 2 1 333.501 3.229 20 0 EGADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000638723137 461548945 /nfs/dbraw/zinc/54/89/45/461548945.db2.gz YORIZLPHPMITNE-LCLWPZTBSA-N 2 1 343.515 3.076 20 0 EGADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000638723137 461548950 /nfs/dbraw/zinc/54/89/50/461548950.db2.gz YORIZLPHPMITNE-LCLWPZTBSA-N 2 1 343.515 3.076 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C2CC[NH+](C3CCCC3)CC2)o1 ZINC000647189575 461552501 /nfs/dbraw/zinc/55/25/01/461552501.db2.gz CPPAGRKDQJPOSN-UHFFFAOYSA-N 2 1 342.487 3.485 20 0 EGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CCC(F)(F)CC1 ZINC000647200194 461561572 /nfs/dbraw/zinc/56/15/72/461561572.db2.gz OZCJEGVIQVIISZ-GOSISDBHSA-N 2 1 338.442 3.311 20 0 EGADMP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663345662 461573593 /nfs/dbraw/zinc/57/35/93/461573593.db2.gz MYRJVKWQDWQLQF-LJQANCHMSA-N 2 1 330.520 3.138 20 0 EGADMP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663345662 461573601 /nfs/dbraw/zinc/57/36/01/461573601.db2.gz MYRJVKWQDWQLQF-LJQANCHMSA-N 2 1 330.520 3.138 20 0 EGADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(-c2ccccc2)n1 ZINC000663345018 461574567 /nfs/dbraw/zinc/57/45/67/461574567.db2.gz FNKDENYXYVNDMC-GOSISDBHSA-N 2 1 338.499 3.299 20 0 EGADMP CCN(CC)c1ncc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663347219 461576395 /nfs/dbraw/zinc/57/63/95/461576395.db2.gz HIXSMMVXFLMIJE-INIZCTEOSA-N 2 1 336.549 3.201 20 0 EGADMP CCN(CC)c1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663347219 461576400 /nfs/dbraw/zinc/57/64/00/461576400.db2.gz HIXSMMVXFLMIJE-INIZCTEOSA-N 2 1 336.549 3.201 20 0 EGADMP c1nn(Cc2ccccc2)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346666 461576536 /nfs/dbraw/zinc/57/65/36/461576536.db2.gz CHBMGQKTZXCYHD-FQEVSTJZSA-N 2 1 338.499 3.143 20 0 EGADMP c1nn(Cc2ccccc2)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346666 461576544 /nfs/dbraw/zinc/57/65/44/461576544.db2.gz CHBMGQKTZXCYHD-FQEVSTJZSA-N 2 1 338.499 3.143 20 0 EGADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638788183 461579119 /nfs/dbraw/zinc/57/91/19/461579119.db2.gz CLNVIIRSVBDZQK-IEBWSBKVSA-N 2 1 343.515 3.106 20 0 EGADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638788183 461579128 /nfs/dbraw/zinc/57/91/28/461579128.db2.gz CLNVIIRSVBDZQK-IEBWSBKVSA-N 2 1 343.515 3.106 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+]CCCc2cnn(C)c2)C[N@H+]1Cc1ccccc1 ZINC000638797398 461584900 /nfs/dbraw/zinc/58/49/00/461584900.db2.gz QSYXPFQSSAPLKH-UYAOXDASSA-N 2 1 340.515 3.243 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000643057128 461598944 /nfs/dbraw/zinc/59/89/44/461598944.db2.gz AGZZOPKCNDVAOU-XLIONFOSSA-N 2 1 326.440 3.280 20 0 EGADMP COc1ccc([C@@H](CC(C)C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000647302888 461623723 /nfs/dbraw/zinc/62/37/23/461623723.db2.gz YTEHFQBNCODNNA-HXUWFJFHSA-N 2 1 347.547 3.398 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000631197054 461636767 /nfs/dbraw/zinc/63/67/67/461636767.db2.gz WNDOUBFJOJMQKJ-YJBOKZPZSA-N 2 1 348.441 3.006 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000631197054 461636776 /nfs/dbraw/zinc/63/67/76/461636776.db2.gz WNDOUBFJOJMQKJ-YJBOKZPZSA-N 2 1 348.441 3.006 20 0 EGADMP CC1(C)C[C@]1(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000663478084 461665618 /nfs/dbraw/zinc/66/56/18/461665618.db2.gz YZEQGXWBCDGTKU-FPOVZHCZSA-N 2 1 328.500 3.197 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000656262587 461688120 /nfs/dbraw/zinc/68/81/20/461688120.db2.gz WNLRKUJDUZNYLL-UHFFFAOYSA-N 2 1 341.434 3.347 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000656262587 461688129 /nfs/dbraw/zinc/68/81/29/461688129.db2.gz WNLRKUJDUZNYLL-UHFFFAOYSA-N 2 1 341.434 3.347 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)[C@H]1OC ZINC000639047621 461688904 /nfs/dbraw/zinc/68/89/04/461688904.db2.gz MAPBKMPIYVKAJS-OBJCFNGXSA-N 2 1 344.499 3.137 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)[C@H]1OC ZINC000639047621 461688915 /nfs/dbraw/zinc/68/89/15/461688915.db2.gz MAPBKMPIYVKAJS-OBJCFNGXSA-N 2 1 344.499 3.137 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000653525621 461700843 /nfs/dbraw/zinc/70/08/43/461700843.db2.gz AERKTKXVOQRUBM-QUCCMNQESA-N 2 1 327.472 3.452 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000653525621 461700848 /nfs/dbraw/zinc/70/08/48/461700848.db2.gz AERKTKXVOQRUBM-QUCCMNQESA-N 2 1 327.472 3.452 20 0 EGADMP COc1cc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000639118750 461739698 /nfs/dbraw/zinc/73/96/98/461739698.db2.gz QNUZPCDYKKQGRO-FXAWDEMLSA-N 2 1 339.483 3.133 20 0 EGADMP c1ccc([C@@H]2C[C@@H](NCC[N@H+]3CC=CCC3)CC[NH+]2C2CC2)cc1 ZINC000639123481 461743968 /nfs/dbraw/zinc/74/39/68/461743968.db2.gz LGYTWCSXAIPDLV-FPOVZHCZSA-N 2 1 325.500 3.206 20 0 EGADMP c1ccc([C@@H]2C[C@@H](NCC[N@@H+]3CC=CCC3)CC[NH+]2C2CC2)cc1 ZINC000639123481 461743976 /nfs/dbraw/zinc/74/39/76/461743976.db2.gz LGYTWCSXAIPDLV-FPOVZHCZSA-N 2 1 325.500 3.206 20 0 EGADMP c1ccc([C@@H]2C[C@@H](NCC[NH+]3CC=CCC3)CC[N@@H+]2C2CC2)cc1 ZINC000639123481 461743985 /nfs/dbraw/zinc/74/39/85/461743985.db2.gz LGYTWCSXAIPDLV-FPOVZHCZSA-N 2 1 325.500 3.206 20 0 EGADMP c1ccc([C@@H]2C[C@@H](NCC[NH+]3CC=CCC3)CC[N@H+]2C2CC2)cc1 ZINC000639123481 461743997 /nfs/dbraw/zinc/74/39/97/461743997.db2.gz LGYTWCSXAIPDLV-FPOVZHCZSA-N 2 1 325.500 3.206 20 0 EGADMP CC[C@H]1CCCCN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637867344 461746465 /nfs/dbraw/zinc/74/64/65/461746465.db2.gz HHIIUYSEABNHIA-IBGZPJMESA-N 2 1 343.515 3.161 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c(Br)c1 ZINC000643522189 461751801 /nfs/dbraw/zinc/75/18/01/461751801.db2.gz JGVIUZQRCZPQFQ-RYUDHWBXSA-N 2 1 327.266 3.250 20 0 EGADMP CCn1nc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c2ccccc21 ZINC000647543346 461756137 /nfs/dbraw/zinc/75/61/37/461756137.db2.gz LOUYNGGRTDQLMV-IAGOWNOFSA-N 2 1 326.488 3.268 20 0 EGADMP Brc1cncc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543944 461759305 /nfs/dbraw/zinc/75/93/05/461759305.db2.gz URYDVXNDQDBTOL-LSDHHAIUSA-N 2 1 338.293 3.056 20 0 EGADMP CCOCc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1OC ZINC000647544359 461759927 /nfs/dbraw/zinc/75/99/27/461759927.db2.gz ZLHMLHZBXRBCSQ-OALUTQOASA-N 2 1 346.515 3.443 20 0 EGADMP COc1cc(Cl)c(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1OC ZINC000639179719 461785212 /nfs/dbraw/zinc/78/52/12/461785212.db2.gz UPSFPMCDNPLIGJ-XJKSGUPXSA-N 2 1 338.879 3.273 20 0 EGADMP Cc1cc(CO)cc(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)[nH+]1 ZINC000663767441 461796915 /nfs/dbraw/zinc/79/69/15/461796915.db2.gz PGJFJXSQRASLCU-UHFFFAOYSA-N 2 1 340.471 3.020 20 0 EGADMP C[C@@H]([NH2+]CC(=O)NCC[NH+]1CCCCCC1)c1cc2ccccc2o1 ZINC000656629905 461812932 /nfs/dbraw/zinc/81/29/32/461812932.db2.gz XDGXBMIHVGQSLX-MRXNPFEDSA-N 2 1 343.471 3.076 20 0 EGADMP O[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639245462 461824235 /nfs/dbraw/zinc/82/42/35/461824235.db2.gz KVJBPRHIKBWBRE-JYAXBFRTSA-N 2 1 328.500 3.495 20 0 EGADMP O[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639245462 461824238 /nfs/dbraw/zinc/82/42/38/461824238.db2.gz KVJBPRHIKBWBRE-JYAXBFRTSA-N 2 1 328.500 3.495 20 0 EGADMP CCC(CC)Nc1cc[nH+]cc1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000647770174 461830680 /nfs/dbraw/zinc/83/06/80/461830680.db2.gz AORZKZVFNVVZGF-UHFFFAOYSA-N 2 1 343.475 3.453 20 0 EGADMP CN(C)c1ccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)cn1 ZINC000660531151 461834303 /nfs/dbraw/zinc/83/43/03/461834303.db2.gz PBDLRNFNCLMKSQ-UHFFFAOYSA-N 2 1 347.466 3.018 20 0 EGADMP O=C(C[NH+]1CCC(Nc2[nH+]ccc3[nH]ccc32)CC1)Nc1ccccc1 ZINC000647852444 461859418 /nfs/dbraw/zinc/85/94/18/461859418.db2.gz BWGHRMCJTLPCRE-UHFFFAOYSA-N 2 1 349.438 3.078 20 0 EGADMP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(F)c4ccccc34)CC2)C1 ZINC000639331390 461865538 /nfs/dbraw/zinc/86/55/38/461865538.db2.gz SYDRTOGVRGIUCY-KRWDZBQOSA-N 2 1 328.431 3.010 20 0 EGADMP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc(F)c4ccccc34)CC2)C1 ZINC000639331390 461865543 /nfs/dbraw/zinc/86/55/43/461865543.db2.gz SYDRTOGVRGIUCY-KRWDZBQOSA-N 2 1 328.431 3.010 20 0 EGADMP CC(C)Cc1ccc(C(=O)C2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000647880358 461868896 /nfs/dbraw/zinc/86/88/96/461868896.db2.gz LQCLOWMFJPTMQY-GOSISDBHSA-N 2 1 328.500 3.389 20 0 EGADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000647936649 461893479 /nfs/dbraw/zinc/89/34/79/461893479.db2.gz JDBNPGPQANQPTD-IUODEOHRSA-N 2 1 343.393 3.093 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccccc3OC(F)F)C2)C1 ZINC000650705885 461897255 /nfs/dbraw/zinc/89/72/55/461897255.db2.gz ZZTOGQPIZHXJHM-INMHGKMJSA-N 2 1 340.414 3.006 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(F)cc4cccnc43)C2)C1 ZINC000650708062 461901057 /nfs/dbraw/zinc/90/10/57/461901057.db2.gz SQTFKPDSKGOGIS-KFKAGJAMSA-N 2 1 343.446 3.092 20 0 EGADMP C[C@H]1C[C@H](C[N@H+]2CCc3sc(Br)cc3C2)CC[NH2+]1 ZINC000656791037 461901048 /nfs/dbraw/zinc/90/10/48/461901048.db2.gz CZJRHFZDXOSIFD-WDEREUQCSA-N 2 1 329.307 3.257 20 0 EGADMP CC(C)(C)c1cnc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650708192 461901470 /nfs/dbraw/zinc/90/14/70/461901470.db2.gz VBBHOGWDDTWZGT-ZNMIVQPWSA-N 2 1 337.533 3.159 20 0 EGADMP COc1ccc([C@H](C)C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650707545 461901556 /nfs/dbraw/zinc/90/15/56/461901556.db2.gz IJJZGJWOQMJVRB-QEEHTWDDSA-N 2 1 332.488 3.017 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1-c1ccccc1 ZINC000647961589 461909737 /nfs/dbraw/zinc/90/97/37/461909737.db2.gz RTODYBDHVMOGBF-FQEVSTJZSA-N 2 1 326.484 3.487 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1-c1ccccc1 ZINC000647961589 461909742 /nfs/dbraw/zinc/90/97/42/461909742.db2.gz RTODYBDHVMOGBF-FQEVSTJZSA-N 2 1 326.484 3.487 20 0 EGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000647961589 461909744 /nfs/dbraw/zinc/90/97/44/461909744.db2.gz RTODYBDHVMOGBF-FQEVSTJZSA-N 2 1 326.484 3.487 20 0 EGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000647961589 461909747 /nfs/dbraw/zinc/90/97/47/461909747.db2.gz RTODYBDHVMOGBF-FQEVSTJZSA-N 2 1 326.484 3.487 20 0 EGADMP COc1ccccc1/C=C/C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723077 461914843 /nfs/dbraw/zinc/91/48/43/461914843.db2.gz HFRGMAMEENWQQW-BILUZONZSA-N 2 1 330.472 3.069 20 0 EGADMP CC(C)(C)c1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000650722785 461914924 /nfs/dbraw/zinc/91/49/24/461914924.db2.gz BGOYDRAWLVJQQA-BMFZPTHFSA-N 2 1 337.533 3.301 20 0 EGADMP CC(C)(C)c1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000650722785 461914928 /nfs/dbraw/zinc/91/49/28/461914928.db2.gz BGOYDRAWLVJQQA-BMFZPTHFSA-N 2 1 337.533 3.301 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2nc3ccc(F)cc3s2)C1 ZINC000650723359 461915056 /nfs/dbraw/zinc/91/50/56/461915056.db2.gz MHTBNSGFVCDHCB-KBMXLJTQSA-N 2 1 349.475 3.296 20 0 EGADMP CC1(C)Cc2cccc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)c2O1 ZINC000650723665 461916321 /nfs/dbraw/zinc/91/63/21/461916321.db2.gz ROICSYKFLMOGGI-GUDVDZBRSA-N 2 1 344.499 3.261 20 0 EGADMP CC(C)Cc1ncc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650723825 461916688 /nfs/dbraw/zinc/91/66/88/461916688.db2.gz UOHVXIKXLTZZEH-USXIJHARSA-N 2 1 337.533 3.202 20 0 EGADMP CO[C@H](Cc1ccccc1)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679903 461922696 /nfs/dbraw/zinc/92/26/96/461922696.db2.gz QYLQGZUHHCSVJY-JOCHJYFZSA-N 2 1 338.495 3.498 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cnn(Cc2ccccc2)c1 ZINC000650753092 461934874 /nfs/dbraw/zinc/93/48/74/461934874.db2.gz GQPUYMGBMMCMRV-HNNXBMFYSA-N 2 1 338.430 3.380 20 0 EGADMP C[C@H](NCc1ccc(C[NH3+])cc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000650753506 461935397 /nfs/dbraw/zinc/93/53/97/461935397.db2.gz OTTQCNPPOHADQP-HNNXBMFYSA-N 2 1 345.462 3.076 20 0 EGADMP C[C@H](CC[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000644534664 461975292 /nfs/dbraw/zinc/97/52/92/461975292.db2.gz ULJRWCRDZRDFEH-WIYYLYMNSA-N 2 1 326.484 3.263 20 0 EGADMP C[C@H](CC[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000644534664 461975299 /nfs/dbraw/zinc/97/52/99/461975299.db2.gz ULJRWCRDZRDFEH-WIYYLYMNSA-N 2 1 326.484 3.263 20 0 EGADMP CC[C@@H](CC(F)F)C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000660835833 461991134 /nfs/dbraw/zinc/99/11/34/461991134.db2.gz ZBEXZHPTMPESAG-INIZCTEOSA-N 2 1 331.495 3.160 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000644655973 462024853 /nfs/dbraw/zinc/02/48/53/462024853.db2.gz CJMXEGVLNHDQHB-LEWJYISDSA-N 2 1 338.495 3.189 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000644655973 462024861 /nfs/dbraw/zinc/02/48/61/462024861.db2.gz CJMXEGVLNHDQHB-LEWJYISDSA-N 2 1 338.495 3.189 20 0 EGADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000657334436 462053330 /nfs/dbraw/zinc/05/33/30/462053330.db2.gz AMJSJINNYHQIGQ-SFHVURJKSA-N 2 1 338.499 3.299 20 0 EGADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000657334436 462053334 /nfs/dbraw/zinc/05/33/34/462053334.db2.gz AMJSJINNYHQIGQ-SFHVURJKSA-N 2 1 338.499 3.299 20 0 EGADMP c1ccc(COCCC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639702904 462068081 /nfs/dbraw/zinc/06/80/81/462068081.db2.gz GNMJAGBELSOUAI-UHFFFAOYSA-N 2 1 325.456 3.201 20 0 EGADMP Cc1ncc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1C ZINC000667616002 462174073 /nfs/dbraw/zinc/17/40/73/462174073.db2.gz FYGFCZMNWROFFO-NRFANRHFSA-N 2 1 338.499 3.217 20 0 EGADMP Cc1[nH+]cc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1C ZINC000667616002 462174079 /nfs/dbraw/zinc/17/40/79/462174079.db2.gz FYGFCZMNWROFFO-NRFANRHFSA-N 2 1 338.499 3.217 20 0 EGADMP Cc1[nH+]cc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1C ZINC000667616002 462174084 /nfs/dbraw/zinc/17/40/84/462174084.db2.gz FYGFCZMNWROFFO-NRFANRHFSA-N 2 1 338.499 3.217 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000667673008 462205845 /nfs/dbraw/zinc/20/58/45/462205845.db2.gz NAYGIAJKUYRWKP-MJGOQNOKSA-N 2 1 334.504 3.264 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000667673008 462205853 /nfs/dbraw/zinc/20/58/53/462205853.db2.gz NAYGIAJKUYRWKP-MJGOQNOKSA-N 2 1 334.504 3.264 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnc3n2CCC3)CC1 ZINC000667688329 462216159 /nfs/dbraw/zinc/21/61/59/462216159.db2.gz NPXAVAKZOFFJPG-QGZVFWFLSA-N 2 1 330.520 3.306 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000651600500 462273908 /nfs/dbraw/zinc/27/39/08/462273908.db2.gz YAAPTVHENPWSKW-UHFFFAOYSA-N 2 1 328.460 3.049 20 0 EGADMP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1)c1ccccc1 ZINC000648784586 462276754 /nfs/dbraw/zinc/27/67/54/462276754.db2.gz XLIQTAFQBKHFHO-ZHALLVOQSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)c1[nH+]c(CN2CC[C@@H](C[NH+]3CCCC3)C2)c2ccccn21 ZINC000651643574 462287502 /nfs/dbraw/zinc/28/75/02/462287502.db2.gz GJIDIVWGGWINQH-KRWDZBQOSA-N 2 1 326.488 3.375 20 0 EGADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000657882017 462307604 /nfs/dbraw/zinc/30/76/04/462307604.db2.gz WGWUQESVQAULEB-RBUKOAKNSA-N 2 1 338.923 3.488 20 0 EGADMP c1c2cnccc2oc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000651700074 462308654 /nfs/dbraw/zinc/30/86/54/462308654.db2.gz SDDPTMZLPZIYDW-SFHVURJKSA-N 2 1 335.451 3.482 20 0 EGADMP c1c2cnccc2oc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000651700074 462308660 /nfs/dbraw/zinc/30/86/60/462308660.db2.gz SDDPTMZLPZIYDW-SFHVURJKSA-N 2 1 335.451 3.482 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1)c1c[nH+]ccc1N ZINC000665294623 462389406 /nfs/dbraw/zinc/38/94/06/462389406.db2.gz SBBRMOQNYSAGSV-QAPCUYQASA-N 2 1 341.455 3.041 20 0 EGADMP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531708 462430290 /nfs/dbraw/zinc/43/02/90/462430290.db2.gz PIRIVUYSZREVQJ-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000654980847 462438524 /nfs/dbraw/zinc/43/85/24/462438524.db2.gz VSRVGDLOCCGELM-QGZVFWFLSA-N 2 1 349.906 3.030 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC2(CCC[N@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000654980847 462438525 /nfs/dbraw/zinc/43/85/25/462438525.db2.gz VSRVGDLOCCGELM-QGZVFWFLSA-N 2 1 349.906 3.030 20 0 EGADMP CCC[N@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000658286775 462455281 /nfs/dbraw/zinc/45/52/81/462455281.db2.gz UZEFZGCDPDOQGO-XSDIEEQYSA-N 2 1 327.516 3.256 20 0 EGADMP CCC[NH+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000658286775 462455286 /nfs/dbraw/zinc/45/52/86/462455286.db2.gz UZEFZGCDPDOQGO-XSDIEEQYSA-N 2 1 327.516 3.256 20 0 EGADMP CCC[NH+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000658286775 462455290 /nfs/dbraw/zinc/45/52/90/462455290.db2.gz UZEFZGCDPDOQGO-XSDIEEQYSA-N 2 1 327.516 3.256 20 0 EGADMP CCC[N@H+]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000658286773 462455675 /nfs/dbraw/zinc/45/56/75/462455675.db2.gz UZEFZGCDPDOQGO-MXEMCNAFSA-N 2 1 327.516 3.256 20 0 EGADMP CCC[NH+]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000658286773 462455678 /nfs/dbraw/zinc/45/56/78/462455678.db2.gz UZEFZGCDPDOQGO-MXEMCNAFSA-N 2 1 327.516 3.256 20 0 EGADMP CCC[NH+]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000658286773 462455681 /nfs/dbraw/zinc/45/56/81/462455681.db2.gz UZEFZGCDPDOQGO-MXEMCNAFSA-N 2 1 327.516 3.256 20 0 EGADMP CC[N@@H+](CCCNC(=O)NC[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000652208756 462472599 /nfs/dbraw/zinc/47/25/99/462472599.db2.gz OGGLSCPDNRYZOX-IBGZPJMESA-N 2 1 346.519 3.030 20 0 EGADMP c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc(COC[C@H]2CCCO2)c1 ZINC000658351866 462486872 /nfs/dbraw/zinc/48/68/72/462486872.db2.gz FCEWVVJSOLVZIV-OAQYLSRUSA-N 2 1 344.499 3.099 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)[C@@H](C)[NH3+] ZINC000649378515 462493080 /nfs/dbraw/zinc/49/30/80/462493080.db2.gz CHDLXXIVLIMJPZ-SCTDSRPQSA-N 2 1 337.552 3.109 20 0 EGADMP CCC1([NH+]2CCCC2)CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000640890007 462529376 /nfs/dbraw/zinc/52/93/76/462529376.db2.gz HUQWJGFENATPAQ-GOSISDBHSA-N 2 1 335.536 3.118 20 0 EGADMP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-c4cccs4)cc3)CC2)C1 ZINC000662151449 462531904 /nfs/dbraw/zinc/53/19/04/462531904.db2.gz HPTQFYRQGKJOCA-LJQANCHMSA-N 2 1 342.508 3.446 20 0 EGADMP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-c4cccs4)cc3)CC2)C1 ZINC000662151449 462531905 /nfs/dbraw/zinc/53/19/05/462531905.db2.gz HPTQFYRQGKJOCA-LJQANCHMSA-N 2 1 342.508 3.446 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)nc1 ZINC000181416421 533812953 /nfs/dbraw/zinc/81/29/53/533812953.db2.gz QBUBLUATBYPRRX-XKQJLSEDSA-N 2 1 337.895 3.154 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)o2)cc1 ZINC000132349231 533948095 /nfs/dbraw/zinc/94/80/95/533948095.db2.gz FVTMPTGXLBCDTH-HNNXBMFYSA-N 2 1 342.439 3.117 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)o2)cc1 ZINC000132349231 533948098 /nfs/dbraw/zinc/94/80/98/533948098.db2.gz FVTMPTGXLBCDTH-HNNXBMFYSA-N 2 1 342.439 3.117 20 0 EGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000181308669 534247969 /nfs/dbraw/zinc/24/79/69/534247969.db2.gz HJIZQVCTTVBQMB-KCQAQPDRSA-N 2 1 325.294 3.452 20 0 EGADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000181308669 534247971 /nfs/dbraw/zinc/24/79/71/534247971.db2.gz HJIZQVCTTVBQMB-KCQAQPDRSA-N 2 1 325.294 3.452 20 0 EGADMP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000155237118 526700732 /nfs/dbraw/zinc/70/07/32/526700732.db2.gz XNSLZHLZTUXSKZ-HSZSURFESA-N 2 1 343.515 3.076 20 0 EGADMP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000155237118 526700735 /nfs/dbraw/zinc/70/07/35/526700735.db2.gz XNSLZHLZTUXSKZ-HSZSURFESA-N 2 1 343.515 3.076 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)[C@H](C)C1 ZINC000163965479 527801873 /nfs/dbraw/zinc/80/18/73/527801873.db2.gz XRDHCVOYGQXEHP-IIBYNOLFSA-N 2 1 340.515 3.368 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)[C@H](C)C1 ZINC000163965479 527801880 /nfs/dbraw/zinc/80/18/80/527801880.db2.gz XRDHCVOYGQXEHP-IIBYNOLFSA-N 2 1 340.515 3.368 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C12CCC2 ZINC000181540932 527942068 /nfs/dbraw/zinc/94/20/68/527942068.db2.gz SXAYBNGYMHFMCZ-DLBZAZTESA-N 2 1 326.444 3.013 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000181518243 527973370 /nfs/dbraw/zinc/97/33/70/527973370.db2.gz YJKXLZIEIXTJKC-ROUUACIJSA-N 2 1 341.503 3.286 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H]2CCC[NH+](C)C2)cc1)C(C)C ZINC000153919009 528772481 /nfs/dbraw/zinc/77/24/81/528772481.db2.gz MTMXBTYBKAMHQU-IBGZPJMESA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1)C(C)C ZINC000153919009 528772487 /nfs/dbraw/zinc/77/24/87/528772487.db2.gz MTMXBTYBKAMHQU-IBGZPJMESA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1)C(C)C ZINC000153919009 528772493 /nfs/dbraw/zinc/77/24/93/528772493.db2.gz MTMXBTYBKAMHQU-IBGZPJMESA-N 2 1 331.504 3.083 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1)C(C)C ZINC000187006246 528772826 /nfs/dbraw/zinc/77/28/26/528772826.db2.gz JNFXGQAZQCKMBK-UHFFFAOYSA-N 2 1 345.531 3.473 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccccc1C ZINC000191499130 528861683 /nfs/dbraw/zinc/86/16/83/528861683.db2.gz IVIDIZJAPZQGPN-UHFFFAOYSA-N 2 1 328.460 3.105 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccccc1C ZINC000191499130 528861688 /nfs/dbraw/zinc/86/16/88/528861688.db2.gz IVIDIZJAPZQGPN-UHFFFAOYSA-N 2 1 328.460 3.105 20 0 EGADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC000154470001 529143496 /nfs/dbraw/zinc/14/34/96/529143496.db2.gz HJUACECIKGSMJM-HNNXBMFYSA-N 2 1 325.447 3.033 20 0 EGADMP CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000338051047 535576494 /nfs/dbraw/zinc/57/64/94/535576494.db2.gz BVFONPBKFANVKF-QGZVFWFLSA-N 2 1 333.520 3.377 20 0 EGADMP CCn1cc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000350513373 536053003 /nfs/dbraw/zinc/05/30/03/536053003.db2.gz PFJIZCMIKSKGPX-VQTJNVASSA-N 2 1 326.488 3.075 20 0 EGADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H](CO)C(C)(C)C ZINC000093837546 546688568 /nfs/dbraw/zinc/68/85/68/546688568.db2.gz KJVDNGRKNPBNSQ-IBGZPJMESA-N 2 1 334.504 3.000 20 0 EGADMP CCO[C@@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000155467873 546902979 /nfs/dbraw/zinc/90/29/79/546902979.db2.gz BRFMZBBSICTWDE-HXUWFJFHSA-N 2 1 345.531 3.218 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(C[NH3+])o2)cc1 ZINC000237349167 547255907 /nfs/dbraw/zinc/25/59/07/547255907.db2.gz ANWRRPCXYRDMHN-OAHLLOKOSA-N 2 1 341.455 3.043 20 0 EGADMP Clc1cnc(NCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000339072743 547567882 /nfs/dbraw/zinc/56/78/82/547567882.db2.gz YUPJWLIOPZSBIG-OLZOCXBDSA-N 2 1 329.275 3.017 20 0 EGADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000339067264 547567957 /nfs/dbraw/zinc/56/79/57/547567957.db2.gz FSUQBSSYWZWBBP-SJORKVTESA-N 2 1 332.488 3.198 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000339068711 547568184 /nfs/dbraw/zinc/56/81/84/547568184.db2.gz SVXRVTPEXGSAGL-AYWYSENESA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000339068711 547568187 /nfs/dbraw/zinc/56/81/87/547568187.db2.gz SVXRVTPEXGSAGL-AYWYSENESA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000339068711 547568190 /nfs/dbraw/zinc/56/81/90/547568190.db2.gz SVXRVTPEXGSAGL-AYWYSENESA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000339068711 547568192 /nfs/dbraw/zinc/56/81/92/547568192.db2.gz SVXRVTPEXGSAGL-AYWYSENESA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000339068711 547568195 /nfs/dbraw/zinc/56/81/95/547568195.db2.gz SVXRVTPEXGSAGL-AYWYSENESA-N 2 1 327.516 3.256 20 0 EGADMP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339072183 547568825 /nfs/dbraw/zinc/56/88/25/547568825.db2.gz UATDODAKWUSSOA-RTWAWAEBSA-N 3 1 327.516 3.389 20 0 EGADMP c1cc(C[NH+]2CCCCC2)ccc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339072183 547568828 /nfs/dbraw/zinc/56/88/28/547568828.db2.gz UATDODAKWUSSOA-RTWAWAEBSA-N 2 1 327.516 3.389 20 0 EGADMP c1cc(C[NH+]2CCCCC2)ccc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339072183 547568830 /nfs/dbraw/zinc/56/88/30/547568830.db2.gz UATDODAKWUSSOA-RTWAWAEBSA-N 2 1 327.516 3.389 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000339250084 547572270 /nfs/dbraw/zinc/57/22/70/547572270.db2.gz VRZZVISGNPJCDL-UYAOXDASSA-N 2 1 343.515 3.204 20 0 EGADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000354293458 547704784 /nfs/dbraw/zinc/70/47/84/547704784.db2.gz KICZEYJSJWRIRO-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000354293458 547704786 /nfs/dbraw/zinc/70/47/86/547704786.db2.gz KICZEYJSJWRIRO-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP COc1cc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000399208904 547837016 /nfs/dbraw/zinc/83/70/16/547837016.db2.gz TYGHNCPLMKAMQU-ZBFHGGJFSA-N 2 1 331.485 3.152 20 0 EGADMP COc1cc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)sn1 ZINC000399208904 547837018 /nfs/dbraw/zinc/83/70/18/547837018.db2.gz TYGHNCPLMKAMQU-ZBFHGGJFSA-N 2 1 331.485 3.152 20 0 EGADMP COc1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000399208904 547837020 /nfs/dbraw/zinc/83/70/20/547837020.db2.gz TYGHNCPLMKAMQU-ZBFHGGJFSA-N 2 1 331.485 3.152 20 0 EGADMP OC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000671497764 548298440 /nfs/dbraw/zinc/29/84/40/548298440.db2.gz YUQIWZFHOZWBPK-BIRZXAFVSA-N 2 1 342.527 3.428 20 0 EGADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000675809566 548986242 /nfs/dbraw/zinc/98/62/42/548986242.db2.gz KVUVGNOFAYHYSL-QMMLZNLJSA-N 2 1 327.516 3.286 20 0 EGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000675809566 548986244 /nfs/dbraw/zinc/98/62/44/548986244.db2.gz KVUVGNOFAYHYSL-QMMLZNLJSA-N 2 1 327.516 3.286 20 0 EGADMP c1ccc(C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)cc1 ZINC000675881180 548996671 /nfs/dbraw/zinc/99/66/71/548996671.db2.gz KJFPJTFHWVWMBK-RTWAWAEBSA-N 2 1 328.500 3.241 20 0 EGADMP CCOc1cccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000675883276 548996749 /nfs/dbraw/zinc/99/67/49/548996749.db2.gz ZHUIOZWJMXQYER-JXFKEZNVSA-N 2 1 332.488 3.379 20 0 EGADMP CCn1ccnc1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000677129210 549214077 /nfs/dbraw/zinc/21/40/77/549214077.db2.gz OACVNYBXIAGLQE-HKUYNNGSSA-N 2 1 326.488 3.293 20 0 EGADMP CC1(C)C[C@H](NC[C@H]2CC[NH+](C3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000677748418 549325311 /nfs/dbraw/zinc/32/53/11/549325311.db2.gz LPWXMXJKYPDGIJ-MOPGFXCFSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000677748418 549325313 /nfs/dbraw/zinc/32/53/13/549325313.db2.gz LPWXMXJKYPDGIJ-MOPGFXCFSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@H](NC[C@H]2CC[N@H+](C3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000677748418 549325315 /nfs/dbraw/zinc/32/53/15/549325315.db2.gz LPWXMXJKYPDGIJ-MOPGFXCFSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CN1Cc1ccccc1 ZINC000677748418 549325318 /nfs/dbraw/zinc/32/53/18/549325318.db2.gz LPWXMXJKYPDGIJ-MOPGFXCFSA-N 2 1 327.516 3.113 20 0 EGADMP CC1(C)C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CN1Cc1ccccc1 ZINC000677748418 549325319 /nfs/dbraw/zinc/32/53/19/549325319.db2.gz LPWXMXJKYPDGIJ-MOPGFXCFSA-N 2 1 327.516 3.113 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)nc2C)[C@H](C)C1 ZINC000678426054 549489408 /nfs/dbraw/zinc/48/94/08/549489408.db2.gz FDXDDFVOPRCKEK-BPAFIMBUSA-N 2 1 333.520 3.486 20 0 EGADMP Fc1cc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)ccc1Cl ZINC000678608955 549531333 /nfs/dbraw/zinc/53/13/33/549531333.db2.gz DHMOUJOGYXRYCE-SOUVJXGZSA-N 2 1 337.870 3.274 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000678765900 549556346 /nfs/dbraw/zinc/55/63/46/549556346.db2.gz IQQLDSNGJRPBGX-NQIIRXRSSA-N 2 1 329.532 3.317 20 0 EGADMP CC(C)[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000679357742 549694638 /nfs/dbraw/zinc/69/46/38/549694638.db2.gz FIAZHPFIMPJRJS-HXUWFJFHSA-N 2 1 332.488 3.018 20 0 EGADMP CC(C)[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000679357742 549694642 /nfs/dbraw/zinc/69/46/42/549694642.db2.gz FIAZHPFIMPJRJS-HXUWFJFHSA-N 2 1 332.488 3.018 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3cnccc3c2)[C@H](C)C1 ZINC000683769875 550259467 /nfs/dbraw/zinc/25/94/67/550259467.db2.gz FOFWJMUASNQWNZ-UTKZUKDTSA-N 2 1 341.499 3.461 20 0 EGADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(C[NH+](CC)C(C)C)cc1 ZINC000684826589 550374171 /nfs/dbraw/zinc/37/41/71/550374171.db2.gz ZRJWFDKRFDFNGP-FQEVSTJZSA-N 2 1 345.531 3.473 20 0 EGADMP CC[C@H]1C[NH+](C)CCCN1C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000684826589 550374172 /nfs/dbraw/zinc/37/41/72/550374172.db2.gz ZRJWFDKRFDFNGP-FQEVSTJZSA-N 2 1 345.531 3.473 20 0 EGADMP CC[C@H]1C[NH+](C)CCCN1C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000684826589 550374173 /nfs/dbraw/zinc/37/41/73/550374173.db2.gz ZRJWFDKRFDFNGP-FQEVSTJZSA-N 2 1 345.531 3.473 20 0 EGADMP C[N@@H+](Cc1ccccc1C1CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457378 550419120 /nfs/dbraw/zinc/41/91/20/550419120.db2.gz YHDILJDSMAEDEE-HXUWFJFHSA-N 2 1 327.516 3.164 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C(C)(C)n1cncn1 ZINC000685648162 550435865 /nfs/dbraw/zinc/43/58/65/550435865.db2.gz WKOWUHBWAJGHHD-YQQAZPJKSA-N 2 1 347.532 3.136 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(C)(C)n1cncn1 ZINC000685648162 550435868 /nfs/dbraw/zinc/43/58/68/550435868.db2.gz WKOWUHBWAJGHHD-YQQAZPJKSA-N 2 1 347.532 3.136 20 0 EGADMP c1ccc(CCCOc2cccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC000678343282 576168139 /nfs/dbraw/zinc/16/81/39/576168139.db2.gz OZACWFIBWIPYHK-NHCUHLMSSA-N 2 1 336.479 3.349 20 0 EGADMP Cc1ccc(N2CC[C@H]([NH+]3CCC(C[N@H+](C)C(C)C)CC3)C2=O)cc1 ZINC000741781484 576720328 /nfs/dbraw/zinc/72/03/28/576720328.db2.gz BFSQDBDTKDXDRZ-FQEVSTJZSA-N 2 1 343.515 3.153 20 0 EGADMP CCCCCC[C@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000741909910 576733141 /nfs/dbraw/zinc/73/31/41/576733141.db2.gz NDEYJEAGQBTJRO-INIZCTEOSA-N 2 1 332.492 3.378 20 0 EGADMP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000693698133 1298151624 /nfs/dbraw/zinc/15/16/24/1298151624.db2.gz TWQRCQVVVYRPIK-AQNXPRMDSA-N 2 1 327.516 3.017 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000042207514 1291435514 /nfs/dbraw/zinc/43/55/14/1291435514.db2.gz BJGXANVOBMFCQH-UHFFFAOYSA-N 2 1 330.451 3.426 20 0 EGADMP Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1F ZINC000067121011 1292146994 /nfs/dbraw/zinc/14/69/94/1292146994.db2.gz CLCUDCPHXOEOHG-UHFFFAOYSA-N 2 1 341.474 3.171 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000069447353 1292242343 /nfs/dbraw/zinc/24/23/43/1292242343.db2.gz NAOPQLRZWBLVTB-LJQANCHMSA-N 2 1 329.488 3.485 20 0 EGADMP COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1OC(F)F ZINC000069751862 1292249729 /nfs/dbraw/zinc/24/97/29/1292249729.db2.gz YZJNTMOMYPHCAO-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000081584684 1292666413 /nfs/dbraw/zinc/66/64/13/1292666413.db2.gz RYVVOLFTUNKSQA-LJQANCHMSA-N 2 1 343.515 3.086 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000081584684 1292666421 /nfs/dbraw/zinc/66/64/21/1292666421.db2.gz RYVVOLFTUNKSQA-LJQANCHMSA-N 2 1 343.515 3.086 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000081584684 1292666430 /nfs/dbraw/zinc/66/64/30/1292666430.db2.gz RYVVOLFTUNKSQA-LJQANCHMSA-N 2 1 343.515 3.086 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000081584684 1292666438 /nfs/dbraw/zinc/66/64/38/1292666438.db2.gz RYVVOLFTUNKSQA-LJQANCHMSA-N 2 1 343.515 3.086 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cn2ccc(-c3cccs3)n2)C1 ZINC000083114098 1292679497 /nfs/dbraw/zinc/67/94/97/1292679497.db2.gz AXDXVSWRZZDJBP-INIZCTEOSA-N 2 1 348.516 3.002 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cn2ccc(-c3cccs3)n2)C1 ZINC000083114098 1292679510 /nfs/dbraw/zinc/67/95/10/1292679510.db2.gz AXDXVSWRZZDJBP-INIZCTEOSA-N 2 1 348.516 3.002 20 0 EGADMP CC(C)[C@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000089137645 1292757495 /nfs/dbraw/zinc/75/74/95/1292757495.db2.gz DCHQCTLSAJHOKR-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1c(Cl)cnn1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092294993 1292860875 /nfs/dbraw/zinc/86/08/75/1292860875.db2.gz UPBAZQUECOTLOR-UHFFFAOYSA-N 2 1 347.894 3.436 20 0 EGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093507508 1292923894 /nfs/dbraw/zinc/92/38/94/1292923894.db2.gz UDFYGJNLHZTJQC-CTNGQTDRSA-N 2 1 344.499 3.162 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000105457270 1293036939 /nfs/dbraw/zinc/03/69/39/1293036939.db2.gz BQSCDVKGRZGRKQ-IBGZPJMESA-N 2 1 326.488 3.141 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000105457270 1293036950 /nfs/dbraw/zinc/03/69/50/1293036950.db2.gz BQSCDVKGRZGRKQ-IBGZPJMESA-N 2 1 326.488 3.141 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(OC)cc(OC)c2)c1 ZINC000105449797 1293037333 /nfs/dbraw/zinc/03/73/33/1293037333.db2.gz XPBUJWNXJHPFMN-UHFFFAOYSA-N 2 1 328.456 3.445 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000105458038 1293038556 /nfs/dbraw/zinc/03/85/56/1293038556.db2.gz QQJSLLBHOQUHQP-CQSZACIVSA-N 2 1 338.879 3.321 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000105458038 1293038561 /nfs/dbraw/zinc/03/85/61/1293038561.db2.gz QQJSLLBHOQUHQP-CQSZACIVSA-N 2 1 338.879 3.321 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3c(C)noc3C)CC2)cs1 ZINC000111397406 1293104081 /nfs/dbraw/zinc/10/40/81/1293104081.db2.gz WGSDUEUCZMFJCP-UHFFFAOYSA-N 2 1 348.516 3.312 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c(OC(F)F)c1 ZINC000114758872 1293176971 /nfs/dbraw/zinc/17/69/71/1293176971.db2.gz YZMYVEOHUSBUFQ-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000120804594 1293339554 /nfs/dbraw/zinc/33/95/54/1293339554.db2.gz MZMALKWVBYPWAF-QGZVFWFLSA-N 2 1 344.478 3.469 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000120804594 1293339562 /nfs/dbraw/zinc/33/95/62/1293339562.db2.gz MZMALKWVBYPWAF-QGZVFWFLSA-N 2 1 344.478 3.469 20 0 EGADMP CCOc1cccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000124430334 1293475294 /nfs/dbraw/zinc/47/52/94/1293475294.db2.gz DZMMAFLWVVAGCY-KRWDZBQOSA-N 2 1 333.520 3.010 20 0 EGADMP CCN(c1ccccc1)c1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1 ZINC000131469234 1293691160 /nfs/dbraw/zinc/69/11/60/1293691160.db2.gz FZSLWJQUQAQLPR-OAQYLSRUSA-N 2 1 341.499 3.247 20 0 EGADMP Fc1cc(Br)cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1F ZINC000846220430 1321777849 /nfs/dbraw/zinc/77/78/49/1321777849.db2.gz PCIFBLNJFCELDB-UHFFFAOYSA-N 2 1 345.231 3.303 20 0 EGADMP Fc1cc(Br)cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1F ZINC000846220430 1321777855 /nfs/dbraw/zinc/77/78/55/1321777855.db2.gz PCIFBLNJFCELDB-UHFFFAOYSA-N 2 1 345.231 3.303 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000152910956 1293990801 /nfs/dbraw/zinc/99/08/01/1293990801.db2.gz AGRYRJSKUJQTEA-UHFFFAOYSA-N 2 1 326.488 3.411 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc3cnccn23)C1 ZINC000156613958 1294151516 /nfs/dbraw/zinc/15/15/16/1294151516.db2.gz HHYPRCHUJUCSKW-KRWDZBQOSA-N 2 1 349.482 3.251 20 0 EGADMP CC(C)N(CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC000166513203 1294363191 /nfs/dbraw/zinc/36/31/91/1294363191.db2.gz XUMPNYZPONHSJC-DLBZAZTESA-N 2 1 339.524 3.238 20 0 EGADMP CC/C=C(\C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000178876518 1294760905 /nfs/dbraw/zinc/76/09/05/1294760905.db2.gz BMYBFOAVESHSMS-ZMLPJBHDSA-N 2 1 335.536 3.138 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000182554671 1295058116 /nfs/dbraw/zinc/05/81/16/1295058116.db2.gz TZAZHLLULQESLP-ULQDDVLXSA-N 2 1 339.524 3.096 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1nccc1-c1ccncc1 ZINC000191276422 1295665044 /nfs/dbraw/zinc/66/50/44/1295665044.db2.gz SNBDYZLITGXFOS-UHFFFAOYSA-N 2 1 338.459 3.074 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1nccc1-c1ccncc1 ZINC000191276422 1295665059 /nfs/dbraw/zinc/66/50/59/1295665059.db2.gz SNBDYZLITGXFOS-UHFFFAOYSA-N 2 1 338.459 3.074 20 0 EGADMP C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000870891721 1296131947 /nfs/dbraw/zinc/13/19/47/1296131947.db2.gz JGSVONFGWIUOHM-MTFMMBMASA-N 2 1 343.515 3.015 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)[C@@H](C)C1 ZINC000250133273 1296455285 /nfs/dbraw/zinc/45/52/85/1296455285.db2.gz XODGPPFZEBTFDJ-VVLHAWIVSA-N 2 1 339.524 3.094 20 0 EGADMP CCc1ccc(-c2noc(C[NH+]3CCC(CC[NH2+]C)CC3)n2)cc1 ZINC000261997282 1296614430 /nfs/dbraw/zinc/61/44/30/1296614430.db2.gz OEOWUDUVVPLGCR-UHFFFAOYSA-N 2 1 328.460 3.121 20 0 EGADMP C[N@@H+](CCCCCC[NH3+])[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000872157455 1296776142 /nfs/dbraw/zinc/77/61/42/1296776142.db2.gz OQUAEGHBPNYNPY-MRXNPFEDSA-N 2 1 341.858 3.035 20 0 EGADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])[C@H]1c1cccs1 ZINC000872285658 1296897394 /nfs/dbraw/zinc/89/73/94/1296897394.db2.gz BQAVOSICZPDFAD-DFGXFYAUSA-N 2 1 349.544 3.155 20 0 EGADMP Cc1ccc(F)c(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000304688317 1296935821 /nfs/dbraw/zinc/93/58/21/1296935821.db2.gz BRQADIWTSFOFFG-UHFFFAOYSA-N 2 1 342.458 3.381 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000310056349 1297085857 /nfs/dbraw/zinc/08/58/57/1297085857.db2.gz LPFDBKVNHXNGTP-INIZCTEOSA-N 2 1 333.476 3.465 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC[N@@H+]1C ZINC000310065548 1297087327 /nfs/dbraw/zinc/08/73/27/1297087327.db2.gz PUVFTPPKNXEBSH-OAGGEKHMSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC[N@H+]1C ZINC000310065548 1297087344 /nfs/dbraw/zinc/08/73/44/1297087344.db2.gz PUVFTPPKNXEBSH-OAGGEKHMSA-N 2 1 339.524 3.094 20 0 EGADMP COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873204353 1297351104 /nfs/dbraw/zinc/35/11/04/1297351104.db2.gz DLZOFZMTCPROJO-CQSZACIVSA-N 2 1 330.497 3.465 20 0 EGADMP C[C@H](O)c1ncc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)s1 ZINC000873232653 1297374981 /nfs/dbraw/zinc/37/49/81/1297374981.db2.gz UTCRAKYQYFPWIL-ZQIUZPCESA-N 2 1 337.533 3.316 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873263549 1297396197 /nfs/dbraw/zinc/39/61/97/1297396197.db2.gz JIUMCDODCZBRPN-LELZANKISA-N 3 1 327.516 3.017 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000873263549 1297396206 /nfs/dbraw/zinc/39/62/06/1297396206.db2.gz JIUMCDODCZBRPN-LELZANKISA-N 2 1 327.516 3.017 20 0 EGADMP CCON1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000379615267 1297534910 /nfs/dbraw/zinc/53/49/10/1297534910.db2.gz AMXOOEOLSLULNR-PXNSSMCTSA-N 2 1 331.504 3.045 20 0 EGADMP CCON1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000379615267 1297534913 /nfs/dbraw/zinc/53/49/13/1297534913.db2.gz AMXOOEOLSLULNR-PXNSSMCTSA-N 2 1 331.504 3.045 20 0 EGADMP C[C@@H](CC[NH2+][C@@H]1CCOC2(CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000379637657 1297536109 /nfs/dbraw/zinc/53/61/09/1297536109.db2.gz SXIPTHOKEBULOX-AZUAARDMSA-N 2 1 346.515 3.215 20 0 EGADMP CCC(CC)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC000393933311 1297673953 /nfs/dbraw/zinc/67/39/53/1297673953.db2.gz MEMRNILLPARQPZ-CVEARBPZSA-N 2 1 339.524 3.286 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cccnc3CC2)[C@H](C)C1 ZINC000421829262 1297793173 /nfs/dbraw/zinc/79/31/73/1297793173.db2.gz HHRSJCGXZJRSRZ-RLLQIKCJSA-N 2 1 345.531 3.056 20 0 EGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700805372 1298179327 /nfs/dbraw/zinc/17/93/27/1298179327.db2.gz SHZVTBPWZOIEQO-IAGOWNOFSA-N 2 1 341.540 3.105 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000700802426 1298179917 /nfs/dbraw/zinc/17/99/17/1298179917.db2.gz IWGRHKGUANXJBL-SJORKVTESA-N 2 1 339.524 3.098 20 0 EGADMP CC(C)O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000877031357 1299122035 /nfs/dbraw/zinc/12/20/35/1299122035.db2.gz QEISOMZJOXKXFJ-RTWAWAEBSA-N 2 1 346.515 3.386 20 0 EGADMP C[NH+](C)[C@H](C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1cccc(Cl)c1 ZINC000877136389 1299175322 /nfs/dbraw/zinc/17/53/22/1299175322.db2.gz GBOPSUVENHSOEJ-KSZLIROESA-N 2 1 343.858 3.396 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000877528493 1299371041 /nfs/dbraw/zinc/37/10/41/1299371041.db2.gz BOVFWYDURSRLOZ-PVXIVEMSSA-N 2 1 331.287 3.489 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCc4cccnc4)cc3)CC[C@@H]21 ZINC000877741745 1299518833 /nfs/dbraw/zinc/51/88/33/1299518833.db2.gz BEPBTFAGSQTCBE-CTNGQTDRSA-N 2 1 337.467 3.187 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCc4cccnc4)cc3)CC[C@@H]21 ZINC000877741745 1299518838 /nfs/dbraw/zinc/51/88/38/1299518838.db2.gz BEPBTFAGSQTCBE-CTNGQTDRSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(OCc4cccnc4)cc3)CC[C@@H]21 ZINC000877741745 1299518845 /nfs/dbraw/zinc/51/88/45/1299518845.db2.gz BEPBTFAGSQTCBE-CTNGQTDRSA-N 2 1 337.467 3.187 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OCc4cccnc4)cc3)CC[C@@H]21 ZINC000877741745 1299518851 /nfs/dbraw/zinc/51/88/51/1299518851.db2.gz BEPBTFAGSQTCBE-CTNGQTDRSA-N 2 1 337.467 3.187 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000878445171 1300008715 /nfs/dbraw/zinc/00/87/15/1300008715.db2.gz DVIVIRWYZLIJQO-YZGWKJHDSA-N 2 1 328.500 3.446 20 0 EGADMP C[NH+]1CCC2(CC1)CC[NH+](CC(=O)c1c[nH]c3ccccc13)CC2 ZINC000879249220 1300452707 /nfs/dbraw/zinc/45/27/07/1300452707.db2.gz JGYLLMAUKLOPCV-UHFFFAOYSA-N 2 1 325.456 3.158 20 0 EGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000759143839 1301024609 /nfs/dbraw/zinc/02/46/09/1301024609.db2.gz XQYDTPPLRHBYCF-OAHLLOKOSA-N 2 1 341.540 3.390 20 0 EGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000759143839 1301024622 /nfs/dbraw/zinc/02/46/22/1301024622.db2.gz XQYDTPPLRHBYCF-OAHLLOKOSA-N 2 1 341.540 3.390 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc2c(c1)CCC2 ZINC000765973734 1302359962 /nfs/dbraw/zinc/35/99/62/1302359962.db2.gz FAAVMUYEAMGLJO-HRAATJIYSA-N 2 1 328.500 3.469 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCOc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000766000881 1302365481 /nfs/dbraw/zinc/36/54/81/1302365481.db2.gz YTNFRLRWEIYXJZ-IEBWSBKVSA-N 2 1 325.456 3.103 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCOc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000766000881 1302365493 /nfs/dbraw/zinc/36/54/93/1302365493.db2.gz YTNFRLRWEIYXJZ-IEBWSBKVSA-N 2 1 325.456 3.103 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCNc2ncccn2)cc1 ZINC000766515512 1302467114 /nfs/dbraw/zinc/46/71/14/1302467114.db2.gz BTEMOYKDHJEIPT-HNNXBMFYSA-N 2 1 336.443 3.124 20 0 EGADMP CC[N@@H+](CCc1ccccn1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000769033056 1303034286 /nfs/dbraw/zinc/03/42/86/1303034286.db2.gz IHYARAVETKTERW-UHFFFAOYSA-N 2 1 327.472 3.087 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CC1([NH+](C)C)CCCC1)NC(=O)OC(C)(C)C ZINC000769676233 1303155782 /nfs/dbraw/zinc/15/57/82/1303155782.db2.gz AIIFJNBZVFRZSY-LSDHHAIUSA-N 2 1 327.513 3.142 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CN2C[C@@H](C(C)C)CC2=O)CC1)CC1CC1 ZINC000770685413 1303306658 /nfs/dbraw/zinc/30/66/58/1303306658.db2.gz OLBXAQUPIQFYCN-FQEVSTJZSA-N 2 1 349.563 3.282 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886671938 1303551809 /nfs/dbraw/zinc/55/18/09/1303551809.db2.gz GRAICKRHVMTOOK-SJLPKXTDSA-N 2 1 346.519 3.386 20 0 EGADMP CCC1([NH+]2CCC2)CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000886718416 1303578580 /nfs/dbraw/zinc/57/85/80/1303578580.db2.gz ZJFYCIPHEPMPED-FQEVSTJZSA-N 2 1 327.516 3.211 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CN2C(=O)CC23CCC3)CC1)CC(C)C ZINC000773269184 1303652692 /nfs/dbraw/zinc/65/26/92/1303652692.db2.gz AIYDTGWGWGHRAV-UHFFFAOYSA-N 2 1 335.536 3.179 20 0 EGADMP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000774160702 1303781489 /nfs/dbraw/zinc/78/14/89/1303781489.db2.gz ZRINQQAHYSGLMV-BVPXEZJJSA-N 2 1 336.483 3.193 20 0 EGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000774310424 1303796314 /nfs/dbraw/zinc/79/63/14/1303796314.db2.gz BUMBVYQUZZBNFD-OHSMVPPVSA-N 2 1 343.515 3.444 20 0 EGADMP C[C@H]1CC[NH+](CCOc2ccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)C1 ZINC000774310424 1303796316 /nfs/dbraw/zinc/79/63/16/1303796316.db2.gz BUMBVYQUZZBNFD-OHSMVPPVSA-N 2 1 343.515 3.444 20 0 EGADMP C[C@H]1CC[NH+](CCOc2ccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)C1 ZINC000774310424 1303796320 /nfs/dbraw/zinc/79/63/20/1303796320.db2.gz BUMBVYQUZZBNFD-OHSMVPPVSA-N 2 1 343.515 3.444 20 0 EGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000779023288 1304519626 /nfs/dbraw/zinc/51/96/26/1304519626.db2.gz FBFBORIOMVPVBG-SFTDATJTSA-N 2 1 330.516 3.487 20 0 EGADMP C[NH+](C)C1CC[NH+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000779474846 1304576109 /nfs/dbraw/zinc/57/61/09/1304576109.db2.gz XWVYITPBIFKYEP-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000781423887 1304826623 /nfs/dbraw/zinc/82/66/23/1304826623.db2.gz UGZASGWFALXKFC-FVTFTPSCSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CCC[NH+]1CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000781423887 1304826627 /nfs/dbraw/zinc/82/66/27/1304826627.db2.gz UGZASGWFALXKFC-FVTFTPSCSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CCC[NH+]1CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000781423887 1304826632 /nfs/dbraw/zinc/82/66/32/1304826632.db2.gz UGZASGWFALXKFC-FVTFTPSCSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CCCN1CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000781423887 1304826634 /nfs/dbraw/zinc/82/66/34/1304826634.db2.gz UGZASGWFALXKFC-FVTFTPSCSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CCCN1CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000781423887 1304826637 /nfs/dbraw/zinc/82/66/37/1304826637.db2.gz UGZASGWFALXKFC-FVTFTPSCSA-N 2 1 341.543 3.361 20 0 EGADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857199134 1328524580 /nfs/dbraw/zinc/52/45/80/1328524580.db2.gz COQXPQPZZXPEOU-UXHICEINSA-N 2 1 343.515 3.052 20 0 EGADMP CC[C@H]1C[NH+](C)CCCN1C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857199134 1328524581 /nfs/dbraw/zinc/52/45/81/1328524581.db2.gz COQXPQPZZXPEOU-UXHICEINSA-N 2 1 343.515 3.052 20 0 EGADMP CC[C@H]1C[NH+](C)CCCN1C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857199134 1328524582 /nfs/dbraw/zinc/52/45/82/1328524582.db2.gz COQXPQPZZXPEOU-UXHICEINSA-N 2 1 343.515 3.052 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCC[C@@H]2C)cc1)C(C)C ZINC000783917288 1305162235 /nfs/dbraw/zinc/16/22/35/1305162235.db2.gz MHDRXEYLHDLCSR-KRWDZBQOSA-N 2 1 331.504 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1)C(C)C ZINC000783917288 1305162237 /nfs/dbraw/zinc/16/22/37/1305162237.db2.gz MHDRXEYLHDLCSR-KRWDZBQOSA-N 2 1 331.504 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+]2CCC[C@@H]2C)cc1)C(C)C ZINC000783917288 1305162240 /nfs/dbraw/zinc/16/22/40/1305162240.db2.gz MHDRXEYLHDLCSR-KRWDZBQOSA-N 2 1 331.504 3.131 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cn(C)nc2C2CC2)C1 ZINC000891823724 1305178968 /nfs/dbraw/zinc/17/89/68/1305178968.db2.gz ZZTPPGIPFJBWSH-DLBZAZTESA-N 2 1 330.520 3.384 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cn(C)nc2C2CC2)C1 ZINC000891823726 1305179549 /nfs/dbraw/zinc/17/95/49/1305179549.db2.gz ZZTPPGIPFJBWSH-IRXDYDNUSA-N 2 1 330.520 3.384 20 0 EGADMP CCn1cc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)nn1 ZINC000892598981 1305460721 /nfs/dbraw/zinc/46/07/21/1305460721.db2.gz FKBVCDOUYZYEAC-IRXDYDNUSA-N 2 1 341.503 3.066 20 0 EGADMP FC(F)(F)Oc1cccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000892606782 1305467585 /nfs/dbraw/zinc/46/75/85/1305467585.db2.gz CYOILSGFNOIBHQ-GJZGRUSLSA-N 2 1 328.378 3.344 20 0 EGADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)ccc1OC ZINC000788256953 1305909605 /nfs/dbraw/zinc/90/96/05/1305909605.db2.gz KXRKWJCPPBUFCM-MRXNPFEDSA-N 3 1 344.503 3.164 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc3oc(=O)oc3c2)CC1 ZINC000893939244 1306136253 /nfs/dbraw/zinc/13/62/53/1306136253.db2.gz BZGNRPMCOUEYCQ-UHFFFAOYSA-N 2 1 332.444 3.330 20 0 EGADMP C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000894074555 1306202880 /nfs/dbraw/zinc/20/28/80/1306202880.db2.gz SILHXQDMFHKQJT-KRWDZBQOSA-N 2 1 338.499 3.087 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc2oc(=O)oc2c1 ZINC000894766869 1309059310 /nfs/dbraw/zinc/05/93/10/1309059310.db2.gz WEYICWXDUBXXJU-UHFFFAOYSA-N 2 1 340.423 3.470 20 0 EGADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCC(=O)N2C ZINC000895378557 1309306640 /nfs/dbraw/zinc/30/66/40/1309306640.db2.gz QZQMGIRLNJSSEQ-LPHOPBHVSA-N 2 1 343.515 3.148 20 0 EGADMP CC(C)(C)OC(=O)N1CC=C(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000793330453 1309349681 /nfs/dbraw/zinc/34/96/81/1309349681.db2.gz IZPPVQMYOSGHNC-QZTJIDSGSA-N 2 1 349.519 3.160 20 0 EGADMP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000895986316 1309630670 /nfs/dbraw/zinc/63/06/70/1309630670.db2.gz UMMFTKWGGQJRSS-KRWDZBQOSA-N 2 1 347.528 3.047 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000895986316 1309630680 /nfs/dbraw/zinc/63/06/80/1309630680.db2.gz UMMFTKWGGQJRSS-KRWDZBQOSA-N 2 1 347.528 3.047 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](CNc3nc(N4CCCC4)cc[nH+]3)C2)cc1 ZINC000795180105 1309687726 /nfs/dbraw/zinc/68/77/26/1309687726.db2.gz QQSWTQZFYVYRRX-GOSISDBHSA-N 2 1 337.471 3.011 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CNc3nc(N4CCCC4)cc[nH+]3)C2)cc1 ZINC000795180105 1309687733 /nfs/dbraw/zinc/68/77/33/1309687733.db2.gz QQSWTQZFYVYRRX-GOSISDBHSA-N 2 1 337.471 3.011 20 0 EGADMP Cc1cn2cc(NC(=O)[C@H]3CC[N@H+](C)[C@H]3c3ccccc3)ccc2n1 ZINC000896093939 1309696695 /nfs/dbraw/zinc/69/66/95/1309696695.db2.gz FIFIDTHVPFKEJH-HKUYNNGSSA-N 2 1 334.423 3.274 20 0 EGADMP CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000796157961 1309922227 /nfs/dbraw/zinc/92/22/27/1309922227.db2.gz NAQDWGJSJUJBQS-GOSISDBHSA-N 2 1 339.524 3.243 20 0 EGADMP CCCCNC(=O)OC[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000796157961 1309922231 /nfs/dbraw/zinc/92/22/31/1309922231.db2.gz NAQDWGJSJUJBQS-GOSISDBHSA-N 2 1 339.524 3.243 20 0 EGADMP COc1ccc2[nH]cc(CC[NH2+]Cc3ncc(C[NH+](C)C)s3)c2c1 ZINC000796299444 1309958394 /nfs/dbraw/zinc/95/83/94/1309958394.db2.gz KKOMNIJYLARZPP-UHFFFAOYSA-N 2 1 344.484 3.027 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](C(F)(F)C(=O)OCC)C1 ZINC000797113940 1310142760 /nfs/dbraw/zinc/14/27/60/1310142760.db2.gz MZACSNQDODJSOA-JYJNAYRXSA-N 2 1 346.462 3.208 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](C(F)(F)C(=O)OCC)C1 ZINC000797113940 1310142766 /nfs/dbraw/zinc/14/27/66/1310142766.db2.gz MZACSNQDODJSOA-JYJNAYRXSA-N 2 1 346.462 3.208 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000798957827 1310464030 /nfs/dbraw/zinc/46/40/30/1310464030.db2.gz HZMBGGUTBUXGNC-QGZVFWFLSA-N 2 1 339.524 3.051 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1C ZINC000799178771 1310500127 /nfs/dbraw/zinc/50/01/27/1310500127.db2.gz JMFFWGQUGIDTGV-GOSISDBHSA-N 2 1 343.515 3.438 20 0 EGADMP C(=C/C[N@H+]1CC[C@H](c2ccccn2)C1)\C[NH+]1CC[C@H](c2ccccn2)C1 ZINC000799192906 1310507204 /nfs/dbraw/zinc/50/72/04/1310507204.db2.gz FBUHRQSRJYNRKS-KJBZUCPPSA-N 2 1 348.494 3.312 20 0 EGADMP OCC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000799349797 1310533288 /nfs/dbraw/zinc/53/32/88/1310533288.db2.gz KFXRDOIDIRKFDP-QFIPXVFZSA-N 2 1 338.495 3.234 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857261707 1328525519 /nfs/dbraw/zinc/52/55/19/1328525519.db2.gz XYBAFMMXIKYLNF-FXAWDEMLSA-N 2 1 345.531 3.346 20 0 EGADMP CCCC[NH+](C)C[C@H](C)NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857261707 1328525520 /nfs/dbraw/zinc/52/55/20/1328525520.db2.gz XYBAFMMXIKYLNF-FXAWDEMLSA-N 2 1 345.531 3.346 20 0 EGADMP CCCC[NH+](C)C[C@H](C)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857261707 1328525521 /nfs/dbraw/zinc/52/55/21/1328525521.db2.gz XYBAFMMXIKYLNF-FXAWDEMLSA-N 2 1 345.531 3.346 20 0 EGADMP CCCN(C(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[C@H]1CC[N@@H+](C)C1 ZINC000857295439 1328526727 /nfs/dbraw/zinc/52/67/27/1328526727.db2.gz PITRCSLQIJOOLO-PMACEKPBSA-N 2 1 343.515 3.052 20 0 EGADMP CCCN(C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)[C@H]1CC[NH+](C)C1 ZINC000857295439 1328526728 /nfs/dbraw/zinc/52/67/28/1328526728.db2.gz PITRCSLQIJOOLO-PMACEKPBSA-N 2 1 343.515 3.052 20 0 EGADMP CCCN(C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[C@H]1CC[NH+](C)C1 ZINC000857295439 1328526730 /nfs/dbraw/zinc/52/67/30/1328526730.db2.gz PITRCSLQIJOOLO-PMACEKPBSA-N 2 1 343.515 3.052 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC001019259499 1317132173 /nfs/dbraw/zinc/13/21/73/1317132173.db2.gz MECMASPQUKILEP-JLSDUUJJSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001019381475 1317206017 /nfs/dbraw/zinc/20/60/17/1317206017.db2.gz JTSDJOIFYWCAJN-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CC(CC)CC)CC1 ZINC000957284541 1317259799 /nfs/dbraw/zinc/25/97/99/1317259799.db2.gz WEUGBXCLFQKYFG-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000957552440 1317448887 /nfs/dbraw/zinc/44/88/87/1317448887.db2.gz PMMGMBBUUYLFLN-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](C(C)C)CC2 ZINC000957573414 1317471210 /nfs/dbraw/zinc/47/12/10/1317471210.db2.gz XEVGUMBCGQQZPQ-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CNc1ccc(C)cc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000902042490 1317513362 /nfs/dbraw/zinc/51/33/62/1317513362.db2.gz OXLNGVRSTQETNV-UHFFFAOYSA-N 2 1 339.483 3.159 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001020151016 1317565076 /nfs/dbraw/zinc/56/50/76/1317565076.db2.gz HSKFJPXMEQBNMV-WTGUMLROSA-N 2 1 347.547 3.068 20 0 EGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000902335057 1317565562 /nfs/dbraw/zinc/56/55/62/1317565562.db2.gz ICGZFHXPHKTTQE-SJORKVTESA-N 3 1 335.561 3.328 20 0 EGADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000902335057 1317565565 /nfs/dbraw/zinc/56/55/65/1317565565.db2.gz ICGZFHXPHKTTQE-SJORKVTESA-N 3 1 335.561 3.328 20 0 EGADMP CC1(C)C[NH2+]CC[C@H](NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000902335057 1317565569 /nfs/dbraw/zinc/56/55/69/1317565569.db2.gz ICGZFHXPHKTTQE-SJORKVTESA-N 2 1 335.561 3.328 20 0 EGADMP CC1(C)C[NH2+]CC[C@H](NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000902335057 1317565571 /nfs/dbraw/zinc/56/55/71/1317565571.db2.gz ICGZFHXPHKTTQE-SJORKVTESA-N 2 1 335.561 3.328 20 0 EGADMP CC[N@@H+](CC1CCCC1)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000957726009 1317591769 /nfs/dbraw/zinc/59/17/69/1317591769.db2.gz JGEKPNNVQNTGOX-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC1CCCC1)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000957726009 1317591773 /nfs/dbraw/zinc/59/17/73/1317591773.db2.gz JGEKPNNVQNTGOX-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC1CCCC1)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000957726009 1317591776 /nfs/dbraw/zinc/59/17/76/1317591776.db2.gz JGEKPNNVQNTGOX-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001020214529 1317596374 /nfs/dbraw/zinc/59/63/74/1317596374.db2.gz VYJMSYVKZPBKSI-MLYOOKFZSA-N 2 1 343.515 3.167 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](OCC)C2)[C@@H](C)C1 ZINC000902806755 1317618952 /nfs/dbraw/zinc/61/89/52/1317618952.db2.gz NTTCPVRFCABIDW-RDGPPVDQSA-N 2 1 326.525 3.061 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1)C(C)C ZINC000957773032 1317636868 /nfs/dbraw/zinc/63/68/68/1317636868.db2.gz WACUNEXARCEEIO-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC000957779797 1317642941 /nfs/dbraw/zinc/64/29/41/1317642941.db2.gz ZOBXPBACUAPWRA-QUCCMNQESA-N 2 1 343.515 3.075 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC000957779797 1317642946 /nfs/dbraw/zinc/64/29/46/1317642946.db2.gz ZOBXPBACUAPWRA-QUCCMNQESA-N 2 1 343.515 3.075 20 0 EGADMP CC(C)Oc1cccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903098293 1317652033 /nfs/dbraw/zinc/65/20/33/1317652033.db2.gz MSZUMMAHLLOKCS-VZKPYBMVSA-N 2 1 344.499 3.255 20 0 EGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000903116331 1317655558 /nfs/dbraw/zinc/65/55/58/1317655558.db2.gz HCNTZWGIDCDOOE-ZPAWYTMASA-N 2 1 328.500 3.052 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903150679 1317664087 /nfs/dbraw/zinc/66/40/87/1317664087.db2.gz AAVZCCPECBWSBH-NGMPGZOMSA-N 2 1 339.527 3.254 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903150679 1317664092 /nfs/dbraw/zinc/66/40/92/1317664092.db2.gz AAVZCCPECBWSBH-NGMPGZOMSA-N 2 1 339.527 3.254 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903150679 1317664098 /nfs/dbraw/zinc/66/40/98/1317664098.db2.gz AAVZCCPECBWSBH-NGMPGZOMSA-N 2 1 339.527 3.254 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903150679 1317664102 /nfs/dbraw/zinc/66/41/02/1317664102.db2.gz AAVZCCPECBWSBH-NGMPGZOMSA-N 2 1 339.527 3.254 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903150679 1317664104 /nfs/dbraw/zinc/66/41/04/1317664104.db2.gz AAVZCCPECBWSBH-NGMPGZOMSA-N 2 1 339.527 3.254 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000903201254 1317673862 /nfs/dbraw/zinc/67/38/62/1317673862.db2.gz HCGOGNFPCUUUFE-LAUBAEHRSA-N 2 1 338.499 3.148 20 0 EGADMP c1ccc(CC[C@@H]2CCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903723567 1317724352 /nfs/dbraw/zinc/72/43/52/1317724352.db2.gz IOXPFQMVYJGECJ-PMACEKPBSA-N 2 1 328.500 3.242 20 0 EGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725832 1317725957 /nfs/dbraw/zinc/72/59/57/1317725957.db2.gz IBPIAFISOCHWII-JSXRDJHFSA-N 2 1 328.500 3.413 20 0 EGADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000903888945 1317742385 /nfs/dbraw/zinc/74/23/85/1317742385.db2.gz NGVSGDCGSZFFHD-QZTJIDSGSA-N 2 1 331.508 3.137 20 0 EGADMP FC(F)(F)c1csc(C[NH2+]Cc2cccc3c2CC[NH2+]C3)n1 ZINC000903924683 1317750614 /nfs/dbraw/zinc/75/06/14/1317750614.db2.gz GYLQFQGHLISSNJ-UHFFFAOYSA-N 2 1 327.375 3.097 20 0 EGADMP FC1(F)C[C@]2(CC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)C1(F)F ZINC000903978950 1317761011 /nfs/dbraw/zinc/76/10/11/1317761011.db2.gz PIVAFODJCJRBSS-ZDUSSCGKSA-N 2 1 334.382 3.260 20 0 EGADMP CC(C)n1ncc2cc(CNC[C@H]3CCCC[N@@H+](C)C3)c(Cl)nc21 ZINC000858245169 1328721066 /nfs/dbraw/zinc/72/10/66/1328721066.db2.gz OKZFMQJSEXYVPY-CQSZACIVSA-N 2 1 349.910 3.487 20 0 EGADMP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904312136 1317828103 /nfs/dbraw/zinc/82/81/03/1317828103.db2.gz MGJZJNCRRPWHSY-FQEVSTJZSA-N 2 1 344.478 3.470 20 0 EGADMP C[C@@]1(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)CCC[NH2+]C1 ZINC000904335220 1317832531 /nfs/dbraw/zinc/83/25/31/1317832531.db2.gz AMVGLEHFGJSZPR-LJQANCHMSA-N 2 1 336.426 3.249 20 0 EGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc(Br)c2OC(F)F)C1 ZINC000904406974 1317843773 /nfs/dbraw/zinc/84/37/73/1317843773.db2.gz ZGXQVDKWMJJCGN-SNVBAGLBSA-N 2 1 349.219 3.221 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccccc2C[NH3+])C1 ZINC000904664243 1317878409 /nfs/dbraw/zinc/87/84/09/1317878409.db2.gz DATXNGIMKAUYJK-IYBDPMFKSA-N 2 1 332.492 3.025 20 0 EGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000809735525 1317882710 /nfs/dbraw/zinc/88/27/10/1317882710.db2.gz JRFLPCOOROMPQR-XHSDSOJGSA-N 2 1 346.462 3.064 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N2CCCCC2=O)cc1 ZINC000810262813 1317989761 /nfs/dbraw/zinc/98/97/61/1317989761.db2.gz XWKQWKHTNDGINT-QRFRQXIXSA-N 2 1 341.499 3.481 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001021274456 1318167264 /nfs/dbraw/zinc/16/72/64/1318167264.db2.gz ZLWZBULMOSAKCW-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001021274456 1318167269 /nfs/dbraw/zinc/16/72/69/1318167269.db2.gz ZLWZBULMOSAKCW-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001021274456 1318167275 /nfs/dbraw/zinc/16/72/75/1318167275.db2.gz ZLWZBULMOSAKCW-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP CC1CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)CC1 ZINC001021420567 1318241857 /nfs/dbraw/zinc/24/18/57/1318241857.db2.gz NUSAJFVKWJSXCN-YQQQUEKLSA-N 2 1 349.563 3.266 20 0 EGADMP CN(C)c1cc[nH+]c(NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000811864809 1318281813 /nfs/dbraw/zinc/28/18/13/1318281813.db2.gz MHDOHJDXZWAMHV-GOSISDBHSA-N 2 1 339.487 3.257 20 0 EGADMP CN(C)c1cc[nH+]c(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000811864809 1318281820 /nfs/dbraw/zinc/28/18/20/1318281820.db2.gz MHDOHJDXZWAMHV-GOSISDBHSA-N 2 1 339.487 3.257 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC000960032788 1318320651 /nfs/dbraw/zinc/32/06/51/1318320651.db2.gz GWBMOQIUYXTAJX-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000960091742 1318349717 /nfs/dbraw/zinc/34/97/17/1318349717.db2.gz MDSWIJMEKLTSIU-YZGWKJHDSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000960098977 1318354634 /nfs/dbraw/zinc/35/46/34/1318354634.db2.gz ZUHCALIXPUSSCP-IHPCNDPISA-N 2 1 343.515 3.203 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)C1 ZINC000908504473 1318357501 /nfs/dbraw/zinc/35/75/01/1318357501.db2.gz YJYOEQDAJICMHN-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)C1 ZINC000960151314 1318384955 /nfs/dbraw/zinc/38/49/55/1318384955.db2.gz YYFKSRXAZRDLER-ABHNRTSZSA-N 2 1 346.519 3.023 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC000960220257 1318417564 /nfs/dbraw/zinc/41/75/64/1318417564.db2.gz WNFRGMKNKQRSLN-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP COC(=O)[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CC(C)C ZINC000813333761 1318535779 /nfs/dbraw/zinc/53/57/79/1318535779.db2.gz QTTLQVORUKHACX-GOSISDBHSA-N 2 1 332.488 3.076 20 0 EGADMP CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021690193 1318564593 /nfs/dbraw/zinc/56/45/93/1318564593.db2.gz GQIMRLSEOZXGRC-WOJBJXKFSA-N 2 1 343.515 3.085 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000858490588 1328777437 /nfs/dbraw/zinc/77/74/37/1328777437.db2.gz KBYNQXBNQVPWHW-IAGOWNOFSA-N 2 1 329.488 3.196 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000858491125 1328778547 /nfs/dbraw/zinc/77/85/47/1328778547.db2.gz YSMPWPRZEYYFAS-HOTGVXAUSA-N 2 1 331.460 3.026 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC000960678927 1318788828 /nfs/dbraw/zinc/78/88/28/1318788828.db2.gz BSHCVYXZTWGKOH-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC000960678927 1318788832 /nfs/dbraw/zinc/78/88/32/1318788832.db2.gz BSHCVYXZTWGKOH-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC000960678927 1318788838 /nfs/dbraw/zinc/78/88/38/1318788838.db2.gz BSHCVYXZTWGKOH-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001022071561 1318788938 /nfs/dbraw/zinc/78/89/38/1318788938.db2.gz TYVLJORJSXKZGK-GNBUJSLZSA-N 2 1 343.515 3.166 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC000960715818 1318824760 /nfs/dbraw/zinc/82/47/60/1318824760.db2.gz WXUBKSGPVIDUPZ-IBGZPJMESA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](CC1CCC1)C[C@@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC000960715818 1318824765 /nfs/dbraw/zinc/82/47/65/1318824765.db2.gz WXUBKSGPVIDUPZ-IBGZPJMESA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](CC1CCC1)C[C@@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC000960715818 1318824773 /nfs/dbraw/zinc/82/47/73/1318824773.db2.gz WXUBKSGPVIDUPZ-IBGZPJMESA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001022201371 1318838287 /nfs/dbraw/zinc/83/82/87/1318838287.db2.gz HMUHJEMCLBPGQO-OTWHNJEPSA-N 2 1 347.547 3.066 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001022201973 1318840465 /nfs/dbraw/zinc/84/04/65/1318840465.db2.gz OYPUEEHOIPMAOD-VWAQSERHSA-N 2 1 349.563 3.312 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000815055426 1318875610 /nfs/dbraw/zinc/87/56/10/1318875610.db2.gz ABKHACURIYYBCH-FUHWJXTLSA-N 2 1 328.456 3.130 20 0 EGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000815055426 1318875617 /nfs/dbraw/zinc/87/56/17/1318875617.db2.gz ABKHACURIYYBCH-FUHWJXTLSA-N 2 1 328.456 3.130 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000815055426 1318875625 /nfs/dbraw/zinc/87/56/25/1318875625.db2.gz ABKHACURIYYBCH-FUHWJXTLSA-N 2 1 328.456 3.130 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000815055426 1318875630 /nfs/dbraw/zinc/87/56/30/1318875630.db2.gz ABKHACURIYYBCH-FUHWJXTLSA-N 2 1 328.456 3.130 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000815055426 1318875641 /nfs/dbraw/zinc/87/56/41/1318875641.db2.gz ABKHACURIYYBCH-FUHWJXTLSA-N 2 1 328.456 3.130 20 0 EGADMP Cc1[nH+]ccn1CCCCOC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815445685 1318986468 /nfs/dbraw/zinc/98/64/68/1318986468.db2.gz GGONDQQOIRWKIZ-GOSISDBHSA-N 2 1 333.476 3.312 20 0 EGADMP Cc1[nH+]ccn1CCCCOC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000815445685 1318986477 /nfs/dbraw/zinc/98/64/77/1318986477.db2.gz GGONDQQOIRWKIZ-GOSISDBHSA-N 2 1 333.476 3.312 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001022596031 1319008625 /nfs/dbraw/zinc/00/86/25/1319008625.db2.gz GABSLSINWMMDGT-VPAKFMSCSA-N 2 1 343.515 3.023 20 0 EGADMP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)cs1 ZINC001022806793 1319118883 /nfs/dbraw/zinc/11/88/83/1319118883.db2.gz AGCGXAUEXOCRED-KSZLIROESA-N 2 1 349.544 3.056 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001022838531 1319133701 /nfs/dbraw/zinc/13/37/01/1319133701.db2.gz QLXDISYNNBNROU-ZGXWSNOMSA-N 2 1 347.547 3.211 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001023128944 1319275968 /nfs/dbraw/zinc/27/59/68/1319275968.db2.gz ZWXXLVWYQHCWKG-FFGOWVMKSA-N 2 1 343.515 3.167 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961231091 1319361985 /nfs/dbraw/zinc/36/19/85/1319361985.db2.gz PLRNOEAFNZWLHD-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961278998 1319434735 /nfs/dbraw/zinc/43/47/35/1319434735.db2.gz ZPWVNZOLSCJPGV-VQTJNVASSA-N 2 1 349.563 3.076 20 0 EGADMP COc1ccc([C@H](C)N[C@H]2CCC[NH2+]CC2)cc1C[NH+]1CCCCC1 ZINC000817969695 1319481074 /nfs/dbraw/zinc/48/10/74/1319481074.db2.gz YBOMEWCXJHROOX-PXNSSMCTSA-N 2 1 345.531 3.474 20 0 EGADMP FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000817981469 1319485480 /nfs/dbraw/zinc/48/54/80/1319485480.db2.gz KPJHPRRWQZESPP-CZUORRHYSA-N 2 1 342.455 3.347 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([C@H]3CCC[NH+](CC)C3)CC2)C1 ZINC000961397237 1319551459 /nfs/dbraw/zinc/55/14/59/1319551459.db2.gz SKPXSUMTTIECNK-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC([C@H]3CCC[N@H+](CC)C3)CC2)C1 ZINC000961397237 1319551468 /nfs/dbraw/zinc/55/14/68/1319551468.db2.gz SKPXSUMTTIECNK-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC([C@H]3CCC[N@@H+](CC)C3)CC2)C1 ZINC000961397237 1319551476 /nfs/dbraw/zinc/55/14/76/1319551476.db2.gz SKPXSUMTTIECNK-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000961411445 1319567610 /nfs/dbraw/zinc/56/76/10/1319567610.db2.gz NNKNKLKLGKHXAI-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961411445 1319567614 /nfs/dbraw/zinc/56/76/14/1319567614.db2.gz NNKNKLKLGKHXAI-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961411445 1319567620 /nfs/dbraw/zinc/56/76/20/1319567620.db2.gz NNKNKLKLGKHXAI-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000961436190 1319588881 /nfs/dbraw/zinc/58/88/81/1319588881.db2.gz SHKGKOGHOLLAME-FQEVSTJZSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)c1ccccc1F ZINC000818962736 1319594247 /nfs/dbraw/zinc/59/42/47/1319594247.db2.gz XDSQXLBLCRXZBG-HXUWFJFHSA-N 2 1 330.447 3.489 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000818985618 1319605818 /nfs/dbraw/zinc/60/58/18/1319605818.db2.gz UAHLUBHWPMEKMQ-RHSMWYFYSA-N 2 1 344.421 3.449 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000819151822 1319650255 /nfs/dbraw/zinc/65/02/55/1319650255.db2.gz FLWDBOSZSLJTEE-YOEHRIQHSA-N 2 1 344.421 3.306 20 0 EGADMP Cc1[nH]c2ccccc2c1C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000917019574 1319740361 /nfs/dbraw/zinc/74/03/61/1319740361.db2.gz OBSFGZMAUXKJIB-SFHVURJKSA-N 2 1 341.499 3.112 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCCC2)C1 ZINC001023632248 1319753897 /nfs/dbraw/zinc/75/38/97/1319753897.db2.gz HVKWFUWOPZXSTE-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001023632248 1319753903 /nfs/dbraw/zinc/75/39/03/1319753903.db2.gz HVKWFUWOPZXSTE-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001023632248 1319753909 /nfs/dbraw/zinc/75/39/09/1319753909.db2.gz HVKWFUWOPZXSTE-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023762115 1319908685 /nfs/dbraw/zinc/90/86/85/1319908685.db2.gz RNIHLXGNGNGMPB-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001023762115 1319908688 /nfs/dbraw/zinc/90/86/88/1319908688.db2.gz RNIHLXGNGNGMPB-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001023762115 1319908691 /nfs/dbraw/zinc/90/86/91/1319908691.db2.gz RNIHLXGNGNGMPB-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000823408835 1320177130 /nfs/dbraw/zinc/17/71/30/1320177130.db2.gz RIUDTGABUASYMY-IRXDYDNUSA-N 2 1 341.540 3.057 20 0 EGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000823408835 1320177132 /nfs/dbraw/zinc/17/71/32/1320177132.db2.gz RIUDTGABUASYMY-IRXDYDNUSA-N 2 1 341.540 3.057 20 0 EGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000823408835 1320177133 /nfs/dbraw/zinc/17/71/33/1320177133.db2.gz RIUDTGABUASYMY-IRXDYDNUSA-N 2 1 341.540 3.057 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc(=O)oc2c1 ZINC000842474051 1321393258 /nfs/dbraw/zinc/39/32/58/1321393258.db2.gz CFIXVYMVBHVEAE-MAUKXSAKSA-N 2 1 326.440 3.065 20 0 EGADMP O[C@H](C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1)c1cccs1 ZINC000842472901 1321393785 /nfs/dbraw/zinc/39/37/85/1321393785.db2.gz KJDISXYCGKBYDV-SJLPKXTDSA-N 2 1 330.497 3.283 20 0 EGADMP Cc1ccc2c(C[N@H+](C3CC3)C3CC[NH2+]CC3)cc(=O)oc2c1C ZINC000843345608 1321502984 /nfs/dbraw/zinc/50/29/84/1321502984.db2.gz AELUKRKUMXTITI-UHFFFAOYSA-N 2 1 326.440 3.126 20 0 EGADMP Cc1ccc2c(C[N@@H+](C3CC3)C3CC[NH2+]CC3)cc(=O)oc2c1C ZINC000843345608 1321502990 /nfs/dbraw/zinc/50/29/90/1321502990.db2.gz AELUKRKUMXTITI-UHFFFAOYSA-N 2 1 326.440 3.126 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cc(Br)ncc1F ZINC000843344086 1321503043 /nfs/dbraw/zinc/50/30/43/1321503043.db2.gz PZOAHOIQZKQFBF-SNVBAGLBSA-N 2 1 338.224 3.293 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1SC(F)(F)F ZINC000843353196 1321504394 /nfs/dbraw/zinc/50/43/94/1321504394.db2.gz CWZFKBGYTPKCFY-PWSUYJOCSA-N 2 1 334.407 3.476 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1SC(F)(F)F ZINC000843353196 1321504399 /nfs/dbraw/zinc/50/43/99/1321504399.db2.gz CWZFKBGYTPKCFY-PWSUYJOCSA-N 2 1 334.407 3.476 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)c2cc1C(C)C ZINC000843353721 1321505333 /nfs/dbraw/zinc/50/53/33/1321505333.db2.gz NWMNRHVUNUQMMU-KBXCAEBGSA-N 2 1 328.456 3.394 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)c2cc1C(C)C ZINC000843353721 1321505334 /nfs/dbraw/zinc/50/53/34/1321505334.db2.gz NWMNRHVUNUQMMU-KBXCAEBGSA-N 2 1 328.456 3.394 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363836 1321507148 /nfs/dbraw/zinc/50/71/48/1321507148.db2.gz CXHWTAGRGATVOP-INIZCTEOSA-N 2 1 343.515 3.387 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000846831302 1321813693 /nfs/dbraw/zinc/81/36/93/1321813693.db2.gz IOIDVRDPPCMXDA-HKUYNNGSSA-N 2 1 331.435 3.080 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000846831302 1321813696 /nfs/dbraw/zinc/81/36/96/1321813696.db2.gz IOIDVRDPPCMXDA-HKUYNNGSSA-N 2 1 331.435 3.080 20 0 EGADMP CCOC(=O)NC1CCC([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000850424635 1322244939 /nfs/dbraw/zinc/24/49/39/1322244939.db2.gz LLOVVMDFTYRJFH-AOCRQIFASA-N 2 1 339.524 3.145 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3ccccc3s1)C2 ZINC000922389514 1322516160 /nfs/dbraw/zinc/51/61/60/1322516160.db2.gz XFGVBDPTRXWOKH-JYBIWHBTSA-N 2 1 344.524 3.471 20 0 EGADMP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1 ZINC000922389397 1322516635 /nfs/dbraw/zinc/51/66/35/1322516635.db2.gz UDLJTNWJTVNVHQ-NCYKPQTJSA-N 2 1 346.515 3.043 20 0 EGADMP Cc1ccc2cc(C[NH2+][C@@H]3C[C@@]4(C[N@H+](C)[C@H]4C(C)C)C[C@H]3O)[nH]c2c1 ZINC000922390972 1322517522 /nfs/dbraw/zinc/51/75/22/1322517522.db2.gz QBUFWOIDYDQOLR-CGXNFDGLSA-N 2 1 341.499 3.046 20 0 EGADMP CCC[N@@H+](C[C@H](O)Cc1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000923325853 1322734568 /nfs/dbraw/zinc/73/45/68/1322734568.db2.gz CKCBYUHTTRSAHB-OAQYLSRUSA-N 2 1 326.484 3.207 20 0 EGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923368567 1322741533 /nfs/dbraw/zinc/74/15/33/1322741533.db2.gz RMTIDDOPCIZNET-MGPUTAFESA-N 2 1 339.483 3.118 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000923486136 1322761021 /nfs/dbraw/zinc/76/10/21/1322761021.db2.gz NOIZKYGQLACJFK-ULQDDVLXSA-N 2 1 339.483 3.076 20 0 EGADMP Cc1cccc(C)c1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923508398 1322765249 /nfs/dbraw/zinc/76/52/49/1322765249.db2.gz LZGZKDZJDIVNQY-SFHVURJKSA-N 2 1 343.515 3.344 20 0 EGADMP Cn1nc(C(F)(F)F)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923507778 1322765475 /nfs/dbraw/zinc/76/54/75/1322765475.db2.gz HEBSOWYQMUMXQZ-CYBMUJFWSA-N 2 1 344.425 3.041 20 0 EGADMP C[C@@H](Cn1ccnc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924648385 1323091317 /nfs/dbraw/zinc/09/13/17/1323091317.db2.gz JXPWNJYCLYAVKG-XSLAUPDRSA-N 2 1 338.499 3.447 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000924684173 1323112946 /nfs/dbraw/zinc/11/29/46/1323112946.db2.gz JPGKTJRYUMGFCE-FGTMMUONSA-N 2 1 341.503 3.286 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC[C@H]1COC(C)(C)O1 ZINC000851933684 1323117753 /nfs/dbraw/zinc/11/77/53/1323117753.db2.gz TWFDVBLIQRPWMI-KVPLUYHFSA-N 2 1 346.515 3.274 20 0 EGADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1cnnn1C ZINC000924865457 1323191748 /nfs/dbraw/zinc/19/17/48/1323191748.db2.gz HDHQQWUEPTUFHC-MRXNPFEDSA-N 2 1 327.476 3.042 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnnn2-c2ccccc2)C1 ZINC000924962063 1323228810 /nfs/dbraw/zinc/22/88/10/1323228810.db2.gz YKLYBTNNELXTFR-SJORKVTESA-N 2 1 327.476 3.038 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnnn2-c2ccccc2)C1 ZINC000924962063 1323228814 /nfs/dbraw/zinc/22/88/14/1323228814.db2.gz YKLYBTNNELXTFR-SJORKVTESA-N 2 1 327.476 3.038 20 0 EGADMP Cc1oc2ccccc2c1[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000924964350 1323230514 /nfs/dbraw/zinc/23/05/14/1323230514.db2.gz ATDCELUOESXONH-INIZCTEOSA-N 2 1 329.488 3.419 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925056867 1323259257 /nfs/dbraw/zinc/25/92/57/1323259257.db2.gz JRVJYTOBYDGTSA-JXFKEZNVSA-N 2 1 346.515 3.208 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCC(C)(C)CC1 ZINC001024366388 1323340900 /nfs/dbraw/zinc/34/09/00/1323340900.db2.gz RCRGZOICLODPQA-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001024366388 1323340907 /nfs/dbraw/zinc/34/09/07/1323340907.db2.gz RCRGZOICLODPQA-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCC(C)(C)CC1 ZINC001024366388 1323340911 /nfs/dbraw/zinc/34/09/11/1323340911.db2.gz RCRGZOICLODPQA-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448361 1323407949 /nfs/dbraw/zinc/40/79/49/1323407949.db2.gz KMGVUNZVHGGOHI-GBESFXJTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001024448361 1323407956 /nfs/dbraw/zinc/40/79/56/1323407956.db2.gz KMGVUNZVHGGOHI-GBESFXJTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001024448361 1323407960 /nfs/dbraw/zinc/40/79/60/1323407960.db2.gz KMGVUNZVHGGOHI-GBESFXJTSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479176 1323430850 /nfs/dbraw/zinc/43/08/50/1323430850.db2.gz AZPFFEWGBXONRW-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479176 1323430854 /nfs/dbraw/zinc/43/08/54/1323430854.db2.gz AZPFFEWGBXONRW-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479176 1323430856 /nfs/dbraw/zinc/43/08/56/1323430856.db2.gz AZPFFEWGBXONRW-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1CCC1CC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479772 1323433453 /nfs/dbraw/zinc/43/34/53/1323433453.db2.gz PHDXLJAQGZDTMP-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCCC[NH+]1CCC1CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479772 1323433457 /nfs/dbraw/zinc/43/34/57/1323433457.db2.gz PHDXLJAQGZDTMP-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCCC[NH+]1CCC1CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479772 1323433461 /nfs/dbraw/zinc/43/34/61/1323433461.db2.gz PHDXLJAQGZDTMP-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024521071 1323468561 /nfs/dbraw/zinc/46/85/61/1323468561.db2.gz OKDPKEWNQDRGHG-DOTOQJQBSA-N 2 1 342.487 3.273 20 0 EGADMP Cc1c(C(=O)NC[C@@H]2CCCC[N@H+]2CC2CCC2)ccc2c[nH+]cn21 ZINC001024520450 1323469234 /nfs/dbraw/zinc/46/92/34/1323469234.db2.gz KFIDRMXFEWCYDX-KRWDZBQOSA-N 2 1 340.471 3.027 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557332 1323497225 /nfs/dbraw/zinc/49/72/25/1323497225.db2.gz RMPODAHUJDQCLV-SFHVURJKSA-N 2 1 342.487 3.355 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024620260 1323548206 /nfs/dbraw/zinc/54/82/06/1323548206.db2.gz PNZFNAWMXLNJBC-YTQUADARSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001024620260 1323548210 /nfs/dbraw/zinc/54/82/10/1323548210.db2.gz PNZFNAWMXLNJBC-YTQUADARSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001024620260 1323548213 /nfs/dbraw/zinc/54/82/13/1323548213.db2.gz PNZFNAWMXLNJBC-YTQUADARSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[N@@H+]1CCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001024624599 1323552405 /nfs/dbraw/zinc/55/24/05/1323552405.db2.gz VVFHBSHWSVDJAW-SFHVURJKSA-N 2 1 349.519 3.362 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001024624599 1323552409 /nfs/dbraw/zinc/55/24/09/1323552409.db2.gz VVFHBSHWSVDJAW-SFHVURJKSA-N 2 1 349.519 3.362 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCCC[N@@H+]2C/C=C/Cl)c1 ZINC001024810398 1323713459 /nfs/dbraw/zinc/71/34/59/1323713459.db2.gz DILZYLZGCLPJAU-WGLAMXGCSA-N 2 1 349.906 3.085 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCCC[N@H+]2C/C=C/Cl)c1 ZINC001024810398 1323713464 /nfs/dbraw/zinc/71/34/64/1323713464.db2.gz DILZYLZGCLPJAU-WGLAMXGCSA-N 2 1 349.906 3.085 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814480 1323718001 /nfs/dbraw/zinc/71/80/01/1323718001.db2.gz TVXHCXWIUUEIQC-LJQANCHMSA-N 2 1 343.515 3.299 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001024966938 1323804355 /nfs/dbraw/zinc/80/43/55/1323804355.db2.gz HIBYJJXDNBBMIR-SJLPKXTDSA-N 2 1 346.519 3.167 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001025018293 1323828873 /nfs/dbraw/zinc/82/88/73/1323828873.db2.gz HZZFLHMPBYTOPC-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430430 1329115591 /nfs/dbraw/zinc/11/55/91/1329115591.db2.gz BZWAJQHAGPARLL-OKZBNKHCSA-N 2 1 343.515 3.329 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430430 1329115592 /nfs/dbraw/zinc/11/55/92/1329115592.db2.gz BZWAJQHAGPARLL-OKZBNKHCSA-N 2 1 343.515 3.329 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931430430 1329115597 /nfs/dbraw/zinc/11/55/97/1329115597.db2.gz BZWAJQHAGPARLL-OKZBNKHCSA-N 2 1 343.515 3.329 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931430430 1329115599 /nfs/dbraw/zinc/11/55/99/1329115599.db2.gz BZWAJQHAGPARLL-OKZBNKHCSA-N 2 1 343.515 3.329 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025240667 1324034237 /nfs/dbraw/zinc/03/42/37/1324034237.db2.gz PZWUUIJXABAYDN-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025240667 1324034247 /nfs/dbraw/zinc/03/42/47/1324034247.db2.gz PZWUUIJXABAYDN-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025240667 1324034252 /nfs/dbraw/zinc/03/42/52/1324034252.db2.gz PZWUUIJXABAYDN-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)(C(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+]1CC1CC1)[NH+]1CCCC1 ZINC001025257515 1324063766 /nfs/dbraw/zinc/06/37/66/1324063766.db2.gz DXUHQNFMFQOTPN-RBUKOAKNSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025257816 1324064256 /nfs/dbraw/zinc/06/42/56/1324064256.db2.gz ACVQMFZCIDXFFY-VQTJNVASSA-N 2 1 347.547 3.140 20 0 EGADMP COc1cccc([C@@H](O)C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000860144349 1329158144 /nfs/dbraw/zinc/15/81/44/1329158144.db2.gz XACHRQJYYONJMZ-FPOVZHCZSA-N 2 1 346.515 3.315 20 0 EGADMP CC(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025597215 1324445956 /nfs/dbraw/zinc/44/59/56/1324445956.db2.gz OGPZSSIYAHYYDX-SJORKVTESA-N 2 1 346.519 3.024 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025597215 1324445959 /nfs/dbraw/zinc/44/59/59/1324445959.db2.gz OGPZSSIYAHYYDX-SJORKVTESA-N 2 1 346.519 3.024 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CCC3=CCCCC3)CC2)CC[N@H+]1C ZINC001026496786 1324848028 /nfs/dbraw/zinc/84/80/28/1324848028.db2.gz UTKPEFSTVHTFSF-SGZDXZSOSA-N 2 1 347.547 3.234 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001026515845 1324862814 /nfs/dbraw/zinc/86/28/14/1324862814.db2.gz MHMJAERAYHWZNP-ACBHZAAOSA-N 2 1 347.547 3.068 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CCC2CC2)CC1 ZINC001026590298 1324916028 /nfs/dbraw/zinc/91/60/28/1324916028.db2.gz BLAWHSDVBWBTNY-MHJFOBGBSA-N 2 1 349.563 3.458 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC001027015065 1325154815 /nfs/dbraw/zinc/15/48/15/1325154815.db2.gz XOUXRVQEHXJZOY-VQTJNVASSA-N 2 1 347.547 3.047 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c(O[C@H]2CCOC2)c1 ZINC000925553916 1325206258 /nfs/dbraw/zinc/20/62/58/1325206258.db2.gz WCVWQIPUCCQODH-KVPLUYHFSA-N 2 1 344.499 3.029 20 0 EGADMP Cc1sc(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)nc1-c1ccccc1 ZINC000925587802 1325221924 /nfs/dbraw/zinc/22/19/24/1325221924.db2.gz KBWQKDVWNXIHBB-DAELLWKTSA-N 2 1 339.508 3.247 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000963417574 1325226609 /nfs/dbraw/zinc/22/66/09/1325226609.db2.gz NWFNOMBHOOHDOS-PMACEKPBSA-N 2 1 343.515 3.085 20 0 EGADMP Cc1nonc1[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000925617572 1325232897 /nfs/dbraw/zinc/23/28/97/1325232897.db2.gz XJSGNUGHVKKKBW-RVKKMQEKSA-N 2 1 328.460 3.329 20 0 EGADMP CN(C)[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1cccc(C(F)(F)F)c1 ZINC000925642958 1325244491 /nfs/dbraw/zinc/24/44/91/1325244491.db2.gz UOBIKTBUOBUIDT-PMPSAXMXSA-N 2 1 341.421 3.168 20 0 EGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3F)c2)C12CCC2 ZINC000925658778 1325251497 /nfs/dbraw/zinc/25/14/97/1325251497.db2.gz UWIIFIBRZZDXTB-DLBZAZTESA-N 2 1 327.403 3.373 20 0 EGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000925794659 1325304109 /nfs/dbraw/zinc/30/41/09/1325304109.db2.gz VQLGLDZEXANFIQ-CEXWTWQISA-N 2 1 343.515 3.165 20 0 EGADMP c1ccc([C@@H]2CCCC[C@H]2[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925801044 1325307414 /nfs/dbraw/zinc/30/74/14/1325307414.db2.gz YVSVPJGPXUDJRU-HSALFYBXSA-N 2 1 328.500 3.461 20 0 EGADMP FC(F)(F)CN1CCC[C@@H]1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925835465 1325322566 /nfs/dbraw/zinc/32/25/66/1325322566.db2.gz PXOITVATYRDEPB-GVDBMIGSSA-N 2 1 341.421 3.096 20 0 EGADMP C/C=C/C[C@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926200823 1325468021 /nfs/dbraw/zinc/46/80/21/1325468021.db2.gz JZLVUQYGXJMTIG-ODNRIDGPSA-N 2 1 328.500 3.489 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000856783710 1325524694 /nfs/dbraw/zinc/52/46/94/1325524694.db2.gz DXBNVUNCANDNCT-NRFANRHFSA-N 2 1 339.483 3.482 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000856783710 1325524702 /nfs/dbraw/zinc/52/47/02/1325524702.db2.gz DXBNVUNCANDNCT-NRFANRHFSA-N 2 1 339.483 3.482 20 0 EGADMP COC(=O)Nc1cccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)c1 ZINC000926411016 1325544407 /nfs/dbraw/zinc/54/44/07/1325544407.db2.gz XIBJNJHYMLGZMW-UHFFFAOYSA-N 2 1 333.476 3.465 20 0 EGADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857147072 1325581863 /nfs/dbraw/zinc/58/18/63/1325581863.db2.gz XYTYYBPHCHNGGZ-ZCNNSNEGSA-N 2 1 343.515 3.098 20 0 EGADMP C[N@@H+](CC1CCCC1)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001027410316 1327637135 /nfs/dbraw/zinc/63/71/35/1327637135.db2.gz BPBNTJBFFGDRNG-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CC1CCCC1)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001027410317 1327637682 /nfs/dbraw/zinc/63/76/82/1327637682.db2.gz BPBNTJBFFGDRNG-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2ccsc2)C1 ZINC001027432781 1327672872 /nfs/dbraw/zinc/67/28/72/1327672872.db2.gz KLCFFHRRJMPSPF-ZWKOTPCHSA-N 2 1 349.544 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccsc2)C1 ZINC001027432781 1327672882 /nfs/dbraw/zinc/67/28/82/1327672882.db2.gz KLCFFHRRJMPSPF-ZWKOTPCHSA-N 2 1 349.544 3.045 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccsc2)C1 ZINC001027432781 1327672892 /nfs/dbraw/zinc/67/28/92/1327672892.db2.gz KLCFFHRRJMPSPF-ZWKOTPCHSA-N 2 1 349.544 3.045 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027433688 1327673711 /nfs/dbraw/zinc/67/37/11/1327673711.db2.gz BQXMJELFFPNYRD-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027433688 1327673720 /nfs/dbraw/zinc/67/37/20/1327673720.db2.gz BQXMJELFFPNYRD-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027433688 1327673729 /nfs/dbraw/zinc/67/37/29/1327673729.db2.gz BQXMJELFFPNYRD-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC001027444544 1327685764 /nfs/dbraw/zinc/68/57/64/1327685764.db2.gz SSUYJRGDZGOENP-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(-n2cnnc2)c1 ZINC000926739509 1327693236 /nfs/dbraw/zinc/69/32/36/1327693236.db2.gz UECFETPGMLMTKA-AEFFLSMTSA-N 2 1 339.487 3.040 20 0 EGADMP CCc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)cc1 ZINC001027460038 1327704371 /nfs/dbraw/zinc/70/43/71/1327704371.db2.gz FVLGJQCOAIRETB-VQTJNVASSA-N 2 1 345.531 3.012 20 0 EGADMP CCc1ccccc1C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001027460304 1327705557 /nfs/dbraw/zinc/70/55/57/1327705557.db2.gz IHCQWIVMVUIKAR-WOJBJXKFSA-N 2 1 345.531 3.012 20 0 EGADMP C[N@@H+](CC1CCCC1)[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027479415 1327732096 /nfs/dbraw/zinc/73/20/96/1327732096.db2.gz GDDWKSCJVWTMKN-SFHVURJKSA-N 2 1 340.471 3.061 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000927054698 1327831978 /nfs/dbraw/zinc/83/19/78/1327831978.db2.gz CMSXHEPPDZZNRZ-RUGGUXRKSA-N 2 1 344.499 3.169 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000927054698 1327831982 /nfs/dbraw/zinc/83/19/82/1327831982.db2.gz CMSXHEPPDZZNRZ-RUGGUXRKSA-N 2 1 344.499 3.169 20 0 EGADMP C[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001027602194 1327954077 /nfs/dbraw/zinc/95/40/77/1327954077.db2.gz NFPMAEHSZJJBMT-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2 ZINC000965347286 1327983653 /nfs/dbraw/zinc/98/36/53/1327983653.db2.gz OTMPQKREYAQVPL-FCOWATRHSA-N 2 1 347.547 3.066 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC[C@@H]([N@@H+](C)CC3=CCCCC3)C2)CC1 ZINC001027628488 1327992882 /nfs/dbraw/zinc/99/28/82/1327992882.db2.gz CRWICTRNOONZCG-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP C[N@@H+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680546 1328079214 /nfs/dbraw/zinc/07/92/14/1328079214.db2.gz HFZZULYSUZIEKY-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027680546 1328079221 /nfs/dbraw/zinc/07/92/21/1328079221.db2.gz HFZZULYSUZIEKY-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027680546 1328079224 /nfs/dbraw/zinc/07/92/24/1328079224.db2.gz HFZZULYSUZIEKY-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001027700293 1328115458 /nfs/dbraw/zinc/11/54/58/1328115458.db2.gz UJLQYFWBNPRTCO-MRXNPFEDSA-N 2 1 335.492 3.068 20 0 EGADMP C[C@H]1CC[N@H+](CCC2CC2)C[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000966485322 1328317899 /nfs/dbraw/zinc/31/78/99/1328317899.db2.gz AIIIERHHKSNBDO-YOEHRIQHSA-N 2 1 349.544 3.050 20 0 EGADMP C[C@H]1CC[N@@H+](CCC2CC2)C[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000966485322 1328317909 /nfs/dbraw/zinc/31/79/09/1328317909.db2.gz AIIIERHHKSNBDO-YOEHRIQHSA-N 2 1 349.544 3.050 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)C12CCC[NH+](CCC1)C2 ZINC001027963564 1328435223 /nfs/dbraw/zinc/43/52/23/1328435223.db2.gz AVZAODLBULLFNU-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001027986424 1328457293 /nfs/dbraw/zinc/45/72/93/1328457293.db2.gz WUSQNDCLYJUHSV-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001027986424 1328457297 /nfs/dbraw/zinc/45/72/97/1328457297.db2.gz WUSQNDCLYJUHSV-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001027986424 1328457312 /nfs/dbraw/zinc/45/73/12/1328457312.db2.gz WUSQNDCLYJUHSV-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCC1(C)CC1 ZINC000934281327 1329961889 /nfs/dbraw/zinc/96/18/89/1329961889.db2.gz GXZFCADAZYRZBN-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000866469426 1330116528 /nfs/dbraw/zinc/11/65/28/1330116528.db2.gz ICMKAPDLNPLSOG-WIYYLYMNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000866469426 1330116529 /nfs/dbraw/zinc/11/65/29/1330116529.db2.gz ICMKAPDLNPLSOG-WIYYLYMNSA-N 2 1 329.532 3.361 20 0 EGADMP CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946614523 1332862914 /nfs/dbraw/zinc/86/29/14/1332862914.db2.gz AXEUYCIZSBASLW-IYBDPMFKSA-N 2 1 349.544 3.002 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CCC1CC1 ZINC000947310271 1333084911 /nfs/dbraw/zinc/08/49/11/1333084911.db2.gz ONEZUAUPXZYCJB-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947361840 1333103192 /nfs/dbraw/zinc/10/31/92/1333103192.db2.gz RVQVZXYWGJCWRL-RDJZCZTQSA-N 2 1 349.544 3.359 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)[C@@H](C)C1 ZINC000947546360 1333166872 /nfs/dbraw/zinc/16/68/72/1333166872.db2.gz GLLQYLQNSYMTNF-LPHOPBHVSA-N 2 1 344.503 3.051 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)[C@@H](C)C1 ZINC000947546360 1333166877 /nfs/dbraw/zinc/16/68/77/1333166877.db2.gz GLLQYLQNSYMTNF-LPHOPBHVSA-N 2 1 344.503 3.051 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1Cc1ccsc1 ZINC000947616656 1333194257 /nfs/dbraw/zinc/19/42/57/1333194257.db2.gz RATPHOYRZQYTRE-NVXWUHKLSA-N 2 1 349.544 3.092 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCC1CCCCC1 ZINC000947686434 1333223880 /nfs/dbraw/zinc/22/38/80/1333223880.db2.gz YEXPXRJZQYNJNV-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCCC1CCCC1 ZINC000947934534 1333311461 /nfs/dbraw/zinc/31/14/61/1333311461.db2.gz KYMSJOPDUYIQJG-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948439491 1333525824 /nfs/dbraw/zinc/52/58/24/1333525824.db2.gz QMRATVXXUNBTFR-MOPGFXCFSA-N 2 1 337.552 3.362 20 0 EGADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948439491 1333525827 /nfs/dbraw/zinc/52/58/27/1333525827.db2.gz QMRATVXXUNBTFR-MOPGFXCFSA-N 2 1 337.552 3.362 20 0 EGADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948439491 1333525830 /nfs/dbraw/zinc/52/58/30/1333525830.db2.gz QMRATVXXUNBTFR-MOPGFXCFSA-N 2 1 337.552 3.362 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC000948575137 1333583028 /nfs/dbraw/zinc/58/30/28/1333583028.db2.gz QIPVAODZYGTEOY-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948575137 1333583030 /nfs/dbraw/zinc/58/30/30/1333583030.db2.gz QIPVAODZYGTEOY-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948575137 1333583031 /nfs/dbraw/zinc/58/30/31/1333583031.db2.gz QIPVAODZYGTEOY-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948620608 1333600010 /nfs/dbraw/zinc/60/00/10/1333600010.db2.gz FUHGZWLCWNPHJZ-GOSISDBHSA-N 2 1 340.471 3.061 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CCC[NH+](CCC3CC3)CC2)C1 ZINC000948711367 1333642788 /nfs/dbraw/zinc/64/27/88/1333642788.db2.gz OVNHKZHXGONURH-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](CCC3CC3)CC2)C1 ZINC000948711367 1333642791 /nfs/dbraw/zinc/64/27/91/1333642791.db2.gz OVNHKZHXGONURH-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CCC3CC3)CC2)C1 ZINC000948711367 1333642795 /nfs/dbraw/zinc/64/27/95/1333642795.db2.gz OVNHKZHXGONURH-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726698 1333648840 /nfs/dbraw/zinc/64/88/40/1333648840.db2.gz XUOVJEHJMBHRQD-FUHWJXTLSA-N 2 1 349.519 3.314 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC000948775740 1333674680 /nfs/dbraw/zinc/67/46/80/1333674680.db2.gz PTRDAVQDDVVQHO-WMZOPIPTSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC000948775740 1333674684 /nfs/dbraw/zinc/67/46/84/1333674684.db2.gz PTRDAVQDDVVQHO-WMZOPIPTSA-N 2 1 349.544 3.045 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccsc2)CC1 ZINC000948775740 1333674689 /nfs/dbraw/zinc/67/46/89/1333674689.db2.gz PTRDAVQDDVVQHO-WMZOPIPTSA-N 2 1 349.544 3.045 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829514 1333701914 /nfs/dbraw/zinc/70/19/14/1333701914.db2.gz PBWSKWPAHZTOQX-MOPGFXCFSA-N 2 1 337.552 3.362 20 0 EGADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829514 1333701915 /nfs/dbraw/zinc/70/19/15/1333701915.db2.gz PBWSKWPAHZTOQX-MOPGFXCFSA-N 2 1 337.552 3.362 20 0 EGADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000948829514 1333701917 /nfs/dbraw/zinc/70/19/17/1333701917.db2.gz PBWSKWPAHZTOQX-MOPGFXCFSA-N 2 1 337.552 3.362 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC000951382609 1334234829 /nfs/dbraw/zinc/23/48/29/1334234829.db2.gz AXBLOZYUZOSWFM-SCTDSRPQSA-N 2 1 343.515 3.011 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC000951382609 1334234834 /nfs/dbraw/zinc/23/48/34/1334234834.db2.gz AXBLOZYUZOSWFM-SCTDSRPQSA-N 2 1 343.515 3.011 20 0 EGADMP Cc1c(C(=O)N[C@@H]2C[N@@H+](CCC(C)C)CC[C@H]2C)ccc2c[nH+]cn21 ZINC000967086927 1335658878 /nfs/dbraw/zinc/65/88/78/1335658878.db2.gz MOYZQFNYUOKPFC-DNVCBOLYSA-N 2 1 342.487 3.129 20 0 EGADMP C[C@H]1CC[N@@H+](CC2CCCCC2)C[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000967206243 1335676567 /nfs/dbraw/zinc/67/65/67/1335676567.db2.gz NDORFPNJWVXKED-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2CCCCC2)C[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000967206246 1335676984 /nfs/dbraw/zinc/67/69/84/1335676984.db2.gz NDORFPNJWVXKED-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CC[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000968647286 1335996255 /nfs/dbraw/zinc/99/62/55/1335996255.db2.gz JYGKEJIWKDRQBA-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968857151 1336070265 /nfs/dbraw/zinc/07/02/65/1336070265.db2.gz UQFXKXGTKKTFQE-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968887869 1336080486 /nfs/dbraw/zinc/08/04/86/1336080486.db2.gz OBBBDJQKZDGTNE-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000968887869 1336080489 /nfs/dbraw/zinc/08/04/89/1336080489.db2.gz OBBBDJQKZDGTNE-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000968887869 1336080490 /nfs/dbraw/zinc/08/04/90/1336080490.db2.gz OBBBDJQKZDGTNE-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1Cl ZINC000968922347 1336089723 /nfs/dbraw/zinc/08/97/23/1336089723.db2.gz YNRPLNGWIRYJQI-LSDHHAIUSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](F)CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936200 1336095740 /nfs/dbraw/zinc/09/57/40/1336095740.db2.gz CYJGBRDSDVMWCQ-RDJZCZTQSA-N 2 1 346.450 3.057 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CC2CC(C)(C)C2)CC1 ZINC000969014057 1336118470 /nfs/dbraw/zinc/11/84/70/1336118470.db2.gz OOLOXIFBYVCUGI-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CCC2=CCCCC2)C1 ZINC000969144609 1336161245 /nfs/dbraw/zinc/16/12/45/1336161245.db2.gz PNWAXGJGZNUQNS-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CCC2=CCCCC2)C1 ZINC000969144609 1336161247 /nfs/dbraw/zinc/16/12/47/1336161247.db2.gz PNWAXGJGZNUQNS-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[N@H+]2CCC2=CCCCC2)C1 ZINC000969144609 1336161249 /nfs/dbraw/zinc/16/12/49/1336161249.db2.gz PNWAXGJGZNUQNS-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969156517 1336166179 /nfs/dbraw/zinc/16/61/79/1336166179.db2.gz VHGBTGSRPJNTFY-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCC2CCCC2)C1 ZINC000969799346 1336249163 /nfs/dbraw/zinc/24/91/63/1336249163.db2.gz WBADVGJPFDYCNX-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC=C(C)C)C1 ZINC000970720118 1336335572 /nfs/dbraw/zinc/33/55/72/1336335572.db2.gz YCRRGMOFTGMLKQ-PKOBYXMFSA-N 2 1 335.536 3.044 20 0 EGADMP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005502220 1336362852 /nfs/dbraw/zinc/36/28/52/1336362852.db2.gz AJHYLMNJXUVJJL-QGZVFWFLSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C2CC[NH+](CCC(C)C)CC2)C1 ZINC001005870279 1336413355 /nfs/dbraw/zinc/41/33/55/1336413355.db2.gz HBKDZZWCLGGSBC-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC(N(C)C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001006298510 1336486064 /nfs/dbraw/zinc/48/60/64/1336486064.db2.gz TWVCWPVAUWDMMB-UHFFFAOYSA-N 2 1 346.519 3.120 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)C1CC[NH+](Cc2ccsc2)CC1 ZINC001006441925 1336506768 /nfs/dbraw/zinc/50/67/68/1336506768.db2.gz GTHIJEHIQGFGEC-IYBDPMFKSA-N 2 1 349.544 3.044 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001006443415 1336506965 /nfs/dbraw/zinc/50/69/65/1336506965.db2.gz CTVKPTGTMRTJLA-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001007457406 1336650188 /nfs/dbraw/zinc/65/01/88/1336650188.db2.gz MYASZKLLXDJABX-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001007457406 1336650190 /nfs/dbraw/zinc/65/01/90/1336650190.db2.gz MYASZKLLXDJABX-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001007457406 1336650192 /nfs/dbraw/zinc/65/01/92/1336650192.db2.gz MYASZKLLXDJABX-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007497321 1336657761 /nfs/dbraw/zinc/65/77/61/1336657761.db2.gz COJCVJITIYAWSR-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001007497321 1336657763 /nfs/dbraw/zinc/65/77/63/1336657763.db2.gz COJCVJITIYAWSR-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001007497321 1336657768 /nfs/dbraw/zinc/65/77/68/1336657768.db2.gz COJCVJITIYAWSR-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001007499811 1336658889 /nfs/dbraw/zinc/65/88/89/1336658889.db2.gz QNNDJGGMTGDHNN-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001007499811 1336658890 /nfs/dbraw/zinc/65/88/90/1336658890.db2.gz QNNDJGGMTGDHNN-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001007499811 1336658891 /nfs/dbraw/zinc/65/88/91/1336658891.db2.gz QNNDJGGMTGDHNN-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007501196 1336659015 /nfs/dbraw/zinc/65/90/15/1336659015.db2.gz WMECXOVLJRPEFX-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007501196 1336659018 /nfs/dbraw/zinc/65/90/18/1336659018.db2.gz WMECXOVLJRPEFX-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007501196 1336659022 /nfs/dbraw/zinc/65/90/22/1336659022.db2.gz WMECXOVLJRPEFX-UYAOXDASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001007746678 1336693407 /nfs/dbraw/zinc/69/34/07/1336693407.db2.gz NZXIYTNNHVQTKQ-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001007746678 1336693410 /nfs/dbraw/zinc/69/34/10/1336693410.db2.gz NZXIYTNNHVQTKQ-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001007746678 1336693412 /nfs/dbraw/zinc/69/34/12/1336693412.db2.gz NZXIYTNNHVQTKQ-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008064428 1336761940 /nfs/dbraw/zinc/76/19/40/1336761940.db2.gz VFCMVMBUSMSQOH-IBGZPJMESA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001008771715 1336923743 /nfs/dbraw/zinc/92/37/43/1336923743.db2.gz UZOXAWVJQKMMCK-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001008771715 1336923746 /nfs/dbraw/zinc/92/37/46/1336923746.db2.gz UZOXAWVJQKMMCK-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001008771715 1336923748 /nfs/dbraw/zinc/92/37/48/1336923748.db2.gz UZOXAWVJQKMMCK-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001009636615 1337050293 /nfs/dbraw/zinc/05/02/93/1337050293.db2.gz NOYMIOZQQMXHLJ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001009636615 1337050295 /nfs/dbraw/zinc/05/02/95/1337050295.db2.gz NOYMIOZQQMXHLJ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001009636615 1337050299 /nfs/dbraw/zinc/05/02/99/1337050299.db2.gz NOYMIOZQQMXHLJ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001014592325 1337841087 /nfs/dbraw/zinc/84/10/87/1337841087.db2.gz AQQYYGVGHFOCND-KRWDZBQOSA-N 2 1 347.528 3.114 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001014592325 1337841094 /nfs/dbraw/zinc/84/10/94/1337841094.db2.gz AQQYYGVGHFOCND-KRWDZBQOSA-N 2 1 347.528 3.114 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001014630164 1337853520 /nfs/dbraw/zinc/85/35/20/1337853520.db2.gz MRIWOGBJTAQUMI-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001014630164 1337853521 /nfs/dbraw/zinc/85/35/21/1337853521.db2.gz MRIWOGBJTAQUMI-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001014630164 1337853523 /nfs/dbraw/zinc/85/35/23/1337853523.db2.gz MRIWOGBJTAQUMI-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001014724658 1337885591 /nfs/dbraw/zinc/88/55/91/1337885591.db2.gz WOTMVQHIBDWEIK-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001014724658 1337885594 /nfs/dbraw/zinc/88/55/94/1337885594.db2.gz WOTMVQHIBDWEIK-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001014724658 1337885599 /nfs/dbraw/zinc/88/55/99/1337885599.db2.gz WOTMVQHIBDWEIK-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014731185 1337890496 /nfs/dbraw/zinc/89/04/96/1337890496.db2.gz ZWMVJGIWIUJBME-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014731185 1337890500 /nfs/dbraw/zinc/89/05/00/1337890500.db2.gz ZWMVJGIWIUJBME-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014731185 1337890505 /nfs/dbraw/zinc/89/05/05/1337890505.db2.gz ZWMVJGIWIUJBME-HKUYNNGSSA-N 2 1 335.536 3.020 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001015289689 1338085752 /nfs/dbraw/zinc/08/57/52/1338085752.db2.gz JRUXUXLUTATXPN-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)CC[N@H+]1C ZINC001015611741 1338208090 /nfs/dbraw/zinc/20/80/90/1338208090.db2.gz MEGQQDBRCKFPAO-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC3CCC(C)(C)CC3)C2)CC[NH+]1C ZINC001015611741 1338208092 /nfs/dbraw/zinc/20/80/92/1338208092.db2.gz MEGQQDBRCKFPAO-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)CC[NH+]1C ZINC001015611741 1338208096 /nfs/dbraw/zinc/20/80/96/1338208096.db2.gz MEGQQDBRCKFPAO-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001015622250 1338210960 /nfs/dbraw/zinc/21/09/60/1338210960.db2.gz DCPUHYIKCWICNL-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001015622250 1338210962 /nfs/dbraw/zinc/21/09/62/1338210962.db2.gz DCPUHYIKCWICNL-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015710783 1338270354 /nfs/dbraw/zinc/27/03/54/1338270354.db2.gz RTCPHXSNZRXSDX-RTBURBONSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001015710783 1338270357 /nfs/dbraw/zinc/27/03/57/1338270357.db2.gz RTCPHXSNZRXSDX-RTBURBONSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001015710783 1338270362 /nfs/dbraw/zinc/27/03/62/1338270362.db2.gz RTCPHXSNZRXSDX-RTBURBONSA-N 2 1 343.515 3.060 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001015796115 1338315897 /nfs/dbraw/zinc/31/58/97/1338315897.db2.gz JNOIQJMIYBLDNK-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001015973930 1338386044 /nfs/dbraw/zinc/38/60/44/1338386044.db2.gz VAWIOQZGHAETSZ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001015973930 1338386045 /nfs/dbraw/zinc/38/60/45/1338386045.db2.gz VAWIOQZGHAETSZ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001015973930 1338386047 /nfs/dbraw/zinc/38/60/47/1338386047.db2.gz VAWIOQZGHAETSZ-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016662727 1338682885 /nfs/dbraw/zinc/68/28/85/1338682885.db2.gz MXFOFKBWMJDCBS-RTBURBONSA-N 2 1 347.547 3.186 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC12CC[NH+](CCCC1CCC1)CC2 ZINC001016829635 1338739943 /nfs/dbraw/zinc/73/99/43/1338739943.db2.gz MHXNUAGTHQVAEV-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001016830408 1338739998 /nfs/dbraw/zinc/73/99/98/1338739998.db2.gz SAIACOIHMFAAFF-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001017181180 1338924647 /nfs/dbraw/zinc/92/46/47/1338924647.db2.gz YHVBOWJOZIYCAE-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H](C[NH+](C)CC3CCCC3)C2)CC[N@H+]1C ZINC001017189624 1338935973 /nfs/dbraw/zinc/93/59/73/1338935973.db2.gz GIJBPVJYWOGYAS-SXLOBPIMSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H](C[N@H+](C)CC3CCCC3)C2)CC[NH+]1C ZINC001017189624 1338935977 /nfs/dbraw/zinc/93/59/77/1338935977.db2.gz GIJBPVJYWOGYAS-SXLOBPIMSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H](C[N@@H+](C)CC3CCCC3)C2)CC[NH+]1C ZINC001017189624 1338935982 /nfs/dbraw/zinc/93/59/82/1338935982.db2.gz GIJBPVJYWOGYAS-SXLOBPIMSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1)[NH+](C)C ZINC001017214221 1338958364 /nfs/dbraw/zinc/95/83/64/1338958364.db2.gz VXOLPVGZCHRGEP-MJGOQNOKSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001018838343 1339736653 /nfs/dbraw/zinc/73/66/53/1339736653.db2.gz YFCDDIWFXQCSOM-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001028104548 1340428675 /nfs/dbraw/zinc/42/86/75/1340428675.db2.gz JYCXEWFEHRSHEO-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001028104548 1340428677 /nfs/dbraw/zinc/42/86/77/1340428677.db2.gz JYCXEWFEHRSHEO-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC(C)(C)C ZINC001028180755 1340471047 /nfs/dbraw/zinc/47/10/47/1340471047.db2.gz FJULJMSYPKZYCK-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001028180755 1340471048 /nfs/dbraw/zinc/47/10/48/1340471048.db2.gz FJULJMSYPKZYCK-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC(C)(C)C ZINC001028180755 1340471052 /nfs/dbraw/zinc/47/10/52/1340471052.db2.gz FJULJMSYPKZYCK-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCC(C)C)o1 ZINC001028344105 1340583782 /nfs/dbraw/zinc/58/37/82/1340583782.db2.gz WAHQFVREUJNAPJ-KRWDZBQOSA-N 2 1 349.519 3.362 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CCCC3CCCC3)C2)CC[N@H+]1C ZINC001028552520 1340696844 /nfs/dbraw/zinc/69/68/44/1340696844.db2.gz OOXGXHVVZVOIFD-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001028552520 1340696848 /nfs/dbraw/zinc/69/68/48/1340696848.db2.gz OOXGXHVVZVOIFD-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001028552520 1340696851 /nfs/dbraw/zinc/69/68/51/1340696851.db2.gz OOXGXHVVZVOIFD-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594092 1340719884 /nfs/dbraw/zinc/71/98/84/1340719884.db2.gz AQZGBEHFZVBXLP-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594092 1340719889 /nfs/dbraw/zinc/71/98/89/1340719889.db2.gz AQZGBEHFZVBXLP-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594092 1340719894 /nfs/dbraw/zinc/71/98/94/1340719894.db2.gz AQZGBEHFZVBXLP-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001028647680 1340742232 /nfs/dbraw/zinc/74/22/32/1340742232.db2.gz LQKWGINKPDPOHB-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001028647680 1340742236 /nfs/dbraw/zinc/74/22/36/1340742236.db2.gz LQKWGINKPDPOHB-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001028647680 1340742239 /nfs/dbraw/zinc/74/22/39/1340742239.db2.gz LQKWGINKPDPOHB-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028661140 1340746300 /nfs/dbraw/zinc/74/63/00/1340746300.db2.gz GDGYNZAWSSGXSX-SJORKVTESA-N 2 1 348.450 3.147 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+](CCC3CCCCC3)C2)CC[N@H+]1C ZINC001028761943 1340797898 /nfs/dbraw/zinc/79/78/98/1340797898.db2.gz CRMPGLYYZOIBOO-SXLOBPIMSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001028761943 1340797901 /nfs/dbraw/zinc/79/79/01/1340797901.db2.gz CRMPGLYYZOIBOO-SXLOBPIMSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001028761943 1340797904 /nfs/dbraw/zinc/79/79/04/1340797904.db2.gz CRMPGLYYZOIBOO-SXLOBPIMSA-N 2 1 349.563 3.125 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC([C@@H](C)[NH2+]CC2CC2)CC1 ZINC001029100488 1340929978 /nfs/dbraw/zinc/92/99/78/1340929978.db2.gz ACNLHBNSOUHDOS-JKSUJKDBSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001029108195 1340931675 /nfs/dbraw/zinc/93/16/75/1340931675.db2.gz XXLZWLSWZYVDDR-YLJYHZDGSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]([NH2+]CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001029108301 1340931685 /nfs/dbraw/zinc/93/16/85/1340931685.db2.gz ZCBJUBMCTLXUOX-OXQOHEQNSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001029164421 1340946158 /nfs/dbraw/zinc/94/61/58/1340946158.db2.gz JRJOJHUUOIEDTA-MJGOQNOKSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001029330813 1340972927 /nfs/dbraw/zinc/97/29/27/1340972927.db2.gz WHSOQNWAXWADBX-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001029330813 1340972928 /nfs/dbraw/zinc/97/29/28/1340972928.db2.gz WHSOQNWAXWADBX-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001029330813 1340972929 /nfs/dbraw/zinc/97/29/29/1340972929.db2.gz WHSOQNWAXWADBX-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029738731 1341059567 /nfs/dbraw/zinc/05/95/67/1341059567.db2.gz CQCCCSLNSCBEPH-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029738731 1341059569 /nfs/dbraw/zinc/05/95/69/1341059569.db2.gz CQCCCSLNSCBEPH-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029738731 1341059571 /nfs/dbraw/zinc/05/95/71/1341059571.db2.gz CQCCCSLNSCBEPH-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001029774212 1341069831 /nfs/dbraw/zinc/06/98/31/1341069831.db2.gz KVCXPDSCLXZSQA-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029774212 1341069833 /nfs/dbraw/zinc/06/98/33/1341069833.db2.gz KVCXPDSCLXZSQA-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029774212 1341069835 /nfs/dbraw/zinc/06/98/35/1341069835.db2.gz KVCXPDSCLXZSQA-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)CC1CCC(C)(C)CC1 ZINC001029905648 1341111395 /nfs/dbraw/zinc/11/13/95/1341111395.db2.gz QYPXBFWTBAUIOI-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029910623 1341113597 /nfs/dbraw/zinc/11/35/97/1341113597.db2.gz STHLVVAOQLRHSY-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029910623 1341113599 /nfs/dbraw/zinc/11/35/99/1341113599.db2.gz STHLVVAOQLRHSY-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029910623 1341113601 /nfs/dbraw/zinc/11/36/01/1341113601.db2.gz STHLVVAOQLRHSY-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC1CCC(C[N@@H+](C)CC2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC001029947205 1341131175 /nfs/dbraw/zinc/13/11/75/1341131175.db2.gz JXOPOXNRLBYWDC-AFMYVXGZSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CCC(C[NH+](C)CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001029947205 1341131178 /nfs/dbraw/zinc/13/11/78/1341131178.db2.gz JXOPOXNRLBYWDC-AFMYVXGZSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CCC(C[NH+](C)CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001029947205 1341131180 /nfs/dbraw/zinc/13/11/80/1341131180.db2.gz JXOPOXNRLBYWDC-AFMYVXGZSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CC1CCCCC1)CC1CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001029970188 1341138872 /nfs/dbraw/zinc/13/88/72/1341138872.db2.gz OSYZAIHFSJFQQA-UHFFFAOYSA-N 2 1 346.519 3.093 20 0 EGADMP C[N@H+](CC1CCCCC1)CC1CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001029970188 1341138875 /nfs/dbraw/zinc/13/88/75/1341138875.db2.gz OSYZAIHFSJFQQA-UHFFFAOYSA-N 2 1 346.519 3.093 20 0 EGADMP C[N@@H+](CC1CCCCC1)CC1CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001029970188 1341138878 /nfs/dbraw/zinc/13/88/78/1341138878.db2.gz OSYZAIHFSJFQQA-UHFFFAOYSA-N 2 1 346.519 3.093 20 0 EGADMP CC[C@@H](C(=O)N1CCC(C[N@@H+](C)CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001029996673 1341151752 /nfs/dbraw/zinc/15/17/52/1341151752.db2.gz HNRCTDICNUNQPO-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CCC(C[N@@H+](C)CC3CCC3)CC2)CC1 ZINC001030009216 1341156126 /nfs/dbraw/zinc/15/61/26/1341156126.db2.gz SKWPTWMPLUQGCN-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C(=O)NC1C[NH+](CC2CCC3(CC3)CC2)C1)[NH+]1CCCCC1 ZINC001030312944 1341177871 /nfs/dbraw/zinc/17/78/71/1341177871.db2.gz LKFVPWBWHSFDMA-UHFFFAOYSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001030737363 1341217232 /nfs/dbraw/zinc/21/72/32/1341217232.db2.gz UXQUYRIQIXTTFM-FQEVSTJZSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H](C(=O)NC1C[NH+](CC2CCC3(CC3)CC2)C1)[NH+]1CCCCCC1 ZINC001031049778 1341270071 /nfs/dbraw/zinc/27/00/71/1341270071.db2.gz NFEFQQUHJLAUKL-QGZVFWFLSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031918978 1341421875 /nfs/dbraw/zinc/42/18/75/1341421875.db2.gz ZSGRDLRSTOKIPI-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCC2CCCCCC2)C1 ZINC001032205571 1341472832 /nfs/dbraw/zinc/47/28/32/1341472832.db2.gz BZYSBONYSLFGEN-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033125449 1341733226 /nfs/dbraw/zinc/73/32/26/1341733226.db2.gz DYTZKJCITCSSAG-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033125449 1341733228 /nfs/dbraw/zinc/73/32/28/1341733228.db2.gz DYTZKJCITCSSAG-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033125449 1341733230 /nfs/dbraw/zinc/73/32/30/1341733230.db2.gz DYTZKJCITCSSAG-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCCC3CCC3)C2)C1 ZINC001033144145 1341738340 /nfs/dbraw/zinc/73/83/40/1341738340.db2.gz SDJSYXBIXRWFAV-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCCC3CCC3)C2)C1 ZINC001033144145 1341738342 /nfs/dbraw/zinc/73/83/42/1341738342.db2.gz SDJSYXBIXRWFAV-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001033144145 1341738345 /nfs/dbraw/zinc/73/83/45/1341738345.db2.gz SDJSYXBIXRWFAV-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033145837 1341739605 /nfs/dbraw/zinc/73/96/05/1341739605.db2.gz KRFOQXOMIVNUGL-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033145837 1341739609 /nfs/dbraw/zinc/73/96/09/1341739609.db2.gz KRFOQXOMIVNUGL-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033145837 1341739612 /nfs/dbraw/zinc/73/96/12/1341739612.db2.gz KRFOQXOMIVNUGL-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001033422638 1341821795 /nfs/dbraw/zinc/82/17/95/1341821795.db2.gz HXHPZJSZPIBGMC-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001033422638 1341821796 /nfs/dbraw/zinc/82/17/96/1341821796.db2.gz HXHPZJSZPIBGMC-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001033422638 1341821797 /nfs/dbraw/zinc/82/17/97/1341821797.db2.gz HXHPZJSZPIBGMC-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033426562 1341822280 /nfs/dbraw/zinc/82/22/80/1341822280.db2.gz RNDJNKQJADRCSN-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033426562 1341822281 /nfs/dbraw/zinc/82/22/81/1341822281.db2.gz RNDJNKQJADRCSN-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033426562 1341822282 /nfs/dbraw/zinc/82/22/82/1341822282.db2.gz RNDJNKQJADRCSN-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033466262 1341836937 /nfs/dbraw/zinc/83/69/37/1341836937.db2.gz JNDJYGAXBKRXEQ-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033466262 1341836941 /nfs/dbraw/zinc/83/69/41/1341836941.db2.gz JNDJYGAXBKRXEQ-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033656561 1341931496 /nfs/dbraw/zinc/93/14/96/1341931496.db2.gz CDFYRGSJQKCEES-MAUKXSAKSA-N 2 1 349.906 3.030 20 0 EGADMP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033683594 1341949966 /nfs/dbraw/zinc/94/99/66/1341949966.db2.gz IECUXHUREFCDTR-IBGZPJMESA-N 2 1 345.531 3.331 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033826252 1342027712 /nfs/dbraw/zinc/02/77/12/1342027712.db2.gz NNEAMBDNROKMRT-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033826252 1342027714 /nfs/dbraw/zinc/02/77/14/1342027714.db2.gz NNEAMBDNROKMRT-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033826252 1342027717 /nfs/dbraw/zinc/02/77/17/1342027717.db2.gz NNEAMBDNROKMRT-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033827032 1342028345 /nfs/dbraw/zinc/02/83/45/1342028345.db2.gz YSOZTXBGUAYJJN-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033827032 1342028346 /nfs/dbraw/zinc/02/83/46/1342028346.db2.gz YSOZTXBGUAYJJN-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033827032 1342028347 /nfs/dbraw/zinc/02/83/47/1342028347.db2.gz YSOZTXBGUAYJJN-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033833954 1342033916 /nfs/dbraw/zinc/03/39/16/1342033916.db2.gz BACWPYZLTPTQDK-GBESFXJTSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033833954 1342033917 /nfs/dbraw/zinc/03/39/17/1342033917.db2.gz BACWPYZLTPTQDK-GBESFXJTSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033833954 1342033918 /nfs/dbraw/zinc/03/39/18/1342033918.db2.gz BACWPYZLTPTQDK-GBESFXJTSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033880663 1342057060 /nfs/dbraw/zinc/05/70/60/1342057060.db2.gz YUBGYOOCAVFONL-MAUKXSAKSA-N 2 1 342.487 3.225 20 0 EGADMP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001033888716 1342061884 /nfs/dbraw/zinc/06/18/84/1342061884.db2.gz SQJOIKASYFFIOR-IBGZPJMESA-N 2 1 348.450 3.071 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034205436 1342316097 /nfs/dbraw/zinc/31/60/97/1342316097.db2.gz WPRKDACWOWGAGC-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034205436 1342316100 /nfs/dbraw/zinc/31/61/00/1342316100.db2.gz WPRKDACWOWGAGC-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034205436 1342316104 /nfs/dbraw/zinc/31/61/04/1342316104.db2.gz WPRKDACWOWGAGC-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC1CC(C[N@H+]2CCCC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001034211379 1342320885 /nfs/dbraw/zinc/32/08/85/1342320885.db2.gz LZYUFZJDXJCQPJ-ACBHZAAOSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCCC[NH+](CCC2CC2)C1 ZINC001034250296 1342346997 /nfs/dbraw/zinc/34/69/97/1342346997.db2.gz PMDQABXZUAZQRT-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCCC[N@H+](CCC2CC2)C1 ZINC001034250296 1342346999 /nfs/dbraw/zinc/34/69/99/1342346999.db2.gz PMDQABXZUAZQRT-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCCC[N@@H+](CCC2CC2)C1 ZINC001034250296 1342347001 /nfs/dbraw/zinc/34/70/01/1342347001.db2.gz PMDQABXZUAZQRT-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034272564 1342364057 /nfs/dbraw/zinc/36/40/57/1342364057.db2.gz VUKWLIKIGUPZTB-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCC2CCCC2)C1 ZINC001034272564 1342364063 /nfs/dbraw/zinc/36/40/63/1342364063.db2.gz VUKWLIKIGUPZTB-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCC2CCCC2)C1 ZINC001034272564 1342364065 /nfs/dbraw/zinc/36/40/65/1342364065.db2.gz VUKWLIKIGUPZTB-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cs1 ZINC001034272884 1342364152 /nfs/dbraw/zinc/36/41/52/1342364152.db2.gz XXUFXCJBWHTANU-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cs1 ZINC001034272884 1342364155 /nfs/dbraw/zinc/36/41/55/1342364155.db2.gz XXUFXCJBWHTANU-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cs1 ZINC001034272884 1342364159 /nfs/dbraw/zinc/36/41/59/1342364159.db2.gz XXUFXCJBWHTANU-MSOLQXFVSA-N 2 1 349.544 3.012 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccsc2)C1)[NH+]1CCCC1 ZINC001034340962 1342414077 /nfs/dbraw/zinc/41/40/77/1342414077.db2.gz WWYIXGOLWOZYPM-QGZVFWFLSA-N 2 1 349.544 3.093 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034396069 1342464612 /nfs/dbraw/zinc/46/46/12/1342464612.db2.gz CSZBSEUIFDUVEB-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](CC2CCCCC2)C1 ZINC001034396069 1342464616 /nfs/dbraw/zinc/46/46/16/1342464616.db2.gz CSZBSEUIFDUVEB-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](CC2CCCCC2)C1 ZINC001034396069 1342464619 /nfs/dbraw/zinc/46/46/19/1342464619.db2.gz CSZBSEUIFDUVEB-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034432906 1342495152 /nfs/dbraw/zinc/49/51/52/1342495152.db2.gz AASRUUFAYVBDNC-MOPGFXCFSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034432906 1342495154 /nfs/dbraw/zinc/49/51/54/1342495154.db2.gz AASRUUFAYVBDNC-MOPGFXCFSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034432906 1342495169 /nfs/dbraw/zinc/49/51/69/1342495169.db2.gz AASRUUFAYVBDNC-MOPGFXCFSA-N 2 1 335.536 3.186 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034537975 1342595554 /nfs/dbraw/zinc/59/55/54/1342595554.db2.gz GUDLJPYKWPGARV-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCCCC2)C1 ZINC001034537975 1342595557 /nfs/dbraw/zinc/59/55/57/1342595557.db2.gz GUDLJPYKWPGARV-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCCC2)C1 ZINC001034537975 1342595561 /nfs/dbraw/zinc/59/55/61/1342595561.db2.gz GUDLJPYKWPGARV-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCCC[N@@H+](C/C=C\Cl)C1 ZINC001034543199 1342603129 /nfs/dbraw/zinc/60/31/29/1342603129.db2.gz ZLWJRFRKKHPDTF-CGICMKJESA-N 2 1 349.906 3.085 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CC2)C1 ZINC001034543171 1342603308 /nfs/dbraw/zinc/60/33/08/1342603308.db2.gz ZGNMZIIWFWLCOS-LJQANCHMSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001034662362 1342677340 /nfs/dbraw/zinc/67/73/40/1342677340.db2.gz FURFKGONQRUNBE-ZHALLVOQSA-N 2 1 335.536 3.066 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1 ZINC001034675328 1342686421 /nfs/dbraw/zinc/68/64/21/1342686421.db2.gz ZRDCGVXQQPVVND-UFYCRDLUSA-N 2 1 347.547 3.378 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCC3)CC2)C1 ZINC001034712402 1342708246 /nfs/dbraw/zinc/70/82/46/1342708246.db2.gz WLARWOCJZZBWMC-UFYCRDLUSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCC3=CCCCC3)CC2)C1 ZINC001034734486 1342729038 /nfs/dbraw/zinc/72/90/38/1342729038.db2.gz PMGVVXJWBVZVNE-MISYRCLQSA-N 2 1 347.547 3.236 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001034792124 1342761090 /nfs/dbraw/zinc/76/10/90/1342761090.db2.gz FQZPYVZKEZMMJK-RNQOJCNYSA-N 2 1 343.515 3.025 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1 ZINC001034830358 1342791325 /nfs/dbraw/zinc/79/13/25/1342791325.db2.gz VQUOXRBCOOHCLM-FQEVSTJZSA-N 2 1 343.515 3.065 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034961215 1342854342 /nfs/dbraw/zinc/85/43/42/1342854342.db2.gz FBPQRFUARYHXFY-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@H](C(=O)N1CCC2(CC[N@@H+](CC3CC(C)(C)C3)C2)CC1)[NH+](C)C ZINC001035196731 1343009980 /nfs/dbraw/zinc/00/99/80/1343009980.db2.gz CNCJGFSBTVCYOM-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@H]1C)CC2 ZINC001035227137 1343048648 /nfs/dbraw/zinc/04/86/48/1343048648.db2.gz OOWQBVVPUZNIRC-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@H]1C)CC2 ZINC001035227137 1343048654 /nfs/dbraw/zinc/04/86/54/1343048654.db2.gz OOWQBVVPUZNIRC-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CCC[C@H]1C)CC2 ZINC001035227137 1343048658 /nfs/dbraw/zinc/04/86/58/1343048658.db2.gz OOWQBVVPUZNIRC-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260318 1343086698 /nfs/dbraw/zinc/08/66/98/1343086698.db2.gz TVSHHGLLCRNQAY-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CCCC)CC2 ZINC001035838221 1343221180 /nfs/dbraw/zinc/22/11/80/1343221180.db2.gz VIOVPNRMRCREJP-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001036180448 1343349893 /nfs/dbraw/zinc/34/98/93/1343349893.db2.gz AYQNURGTIOTDCK-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]([NH2+]CC2CCC2)[C@H](C)C1 ZINC001036202797 1343361833 /nfs/dbraw/zinc/36/18/33/1343361833.db2.gz KPJZKCDJMUHYNG-AEFFLSMTSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001036418901 1343475157 /nfs/dbraw/zinc/47/51/57/1343475157.db2.gz GVMSYKUUGCVBSW-SJORKVTESA-N 2 1 337.552 3.265 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036755214 1343676692 /nfs/dbraw/zinc/67/66/92/1343676692.db2.gz SMFLKWLDVGCBPM-PKOBYXMFSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@H]21 ZINC001036755214 1343676695 /nfs/dbraw/zinc/67/66/95/1343676695.db2.gz SMFLKWLDVGCBPM-PKOBYXMFSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@H]21 ZINC001036755214 1343676699 /nfs/dbraw/zinc/67/66/99/1343676699.db2.gz SMFLKWLDVGCBPM-PKOBYXMFSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036842081 1343780451 /nfs/dbraw/zinc/78/04/51/1343780451.db2.gz JXHVUFWBPCHSBR-VQTJNVASSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036859090 1343793440 /nfs/dbraw/zinc/79/34/40/1343793440.db2.gz KBNVBFHSEWQDQU-WOJBJXKFSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1[NH2+]C(C)C ZINC001037871552 1344153243 /nfs/dbraw/zinc/15/32/43/1344153243.db2.gz CLNFVSLJKYTGPV-FUHWJXTLSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248084 1344342899 /nfs/dbraw/zinc/34/28/99/1344342899.db2.gz LUXMXLXVAWKLBB-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248084 1344342901 /nfs/dbraw/zinc/34/29/01/1344342901.db2.gz LUXMXLXVAWKLBB-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248084 1344342904 /nfs/dbraw/zinc/34/29/04/1344342904.db2.gz LUXMXLXVAWKLBB-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2CCC2CCCCCC2)CC[N@H+]1C ZINC001038269833 1344350175 /nfs/dbraw/zinc/35/01/75/1344350175.db2.gz RSSOWVDRRGTVSN-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCC2CCCCCC2)CC[NH+]1C ZINC001038269833 1344350179 /nfs/dbraw/zinc/35/01/79/1344350179.db2.gz RSSOWVDRRGTVSN-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCC2CCCCCC2)CC[NH+]1C ZINC001038269833 1344350184 /nfs/dbraw/zinc/35/01/84/1344350184.db2.gz RSSOWVDRRGTVSN-HSALFYBXSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCC2=CCCCC2)C1 ZINC001038340387 1344386428 /nfs/dbraw/zinc/38/64/28/1344386428.db2.gz NCLNVZOANMLFHI-UXHICEINSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCC2=CCCCC2)C1 ZINC001038340387 1344386431 /nfs/dbraw/zinc/38/64/31/1344386431.db2.gz NCLNVZOANMLFHI-UXHICEINSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCC2=CCCCC2)C1 ZINC001038340387 1344386436 /nfs/dbraw/zinc/38/64/36/1344386436.db2.gz NCLNVZOANMLFHI-UXHICEINSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038622700 1344508875 /nfs/dbraw/zinc/50/88/75/1344508875.db2.gz NUVGFNZQDUMBDF-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038622700 1344508876 /nfs/dbraw/zinc/50/88/76/1344508876.db2.gz NUVGFNZQDUMBDF-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001038622700 1344508877 /nfs/dbraw/zinc/50/88/77/1344508877.db2.gz NUVGFNZQDUMBDF-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038622004 1344509045 /nfs/dbraw/zinc/50/90/45/1344509045.db2.gz LQKPIPBEBYTSIN-OALUTQOASA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038622004 1344509051 /nfs/dbraw/zinc/50/90/51/1344509051.db2.gz LQKPIPBEBYTSIN-OALUTQOASA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001038622004 1344509057 /nfs/dbraw/zinc/50/90/57/1344509057.db2.gz LQKPIPBEBYTSIN-OALUTQOASA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001038780711 1344582549 /nfs/dbraw/zinc/58/25/49/1344582549.db2.gz MVTURGOCEGBNIY-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001038780711 1344582551 /nfs/dbraw/zinc/58/25/51/1344582551.db2.gz MVTURGOCEGBNIY-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2CCC2CCCC2)cc1 ZINC001038815872 1344594597 /nfs/dbraw/zinc/59/45/97/1344594597.db2.gz HUPYZDANEIBNRD-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+]2CCCC2CCC2)c1 ZINC001039039754 1344728166 /nfs/dbraw/zinc/72/81/66/1344728166.db2.gz KFEADCZKBXKXAL-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001039051791 1344736202 /nfs/dbraw/zinc/73/62/02/1344736202.db2.gz YYPNSRQDOVCDKE-LJQANCHMSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)CC2)C1 ZINC001039167256 1344853534 /nfs/dbraw/zinc/85/35/34/1344853534.db2.gz PXFDOPWOVCJSCS-PMACEKPBSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC001039167256 1344853536 /nfs/dbraw/zinc/85/35/36/1344853536.db2.gz PXFDOPWOVCJSCS-PMACEKPBSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC001039167256 1344853539 /nfs/dbraw/zinc/85/35/39/1344853539.db2.gz PXFDOPWOVCJSCS-PMACEKPBSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039205218 1344915905 /nfs/dbraw/zinc/91/59/05/1344915905.db2.gz NGXXMRJQDROKOP-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039205218 1344915908 /nfs/dbraw/zinc/91/59/08/1344915908.db2.gz NGXXMRJQDROKOP-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039205218 1344915910 /nfs/dbraw/zinc/91/59/10/1344915910.db2.gz NGXXMRJQDROKOP-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001039301686 1345004048 /nfs/dbraw/zinc/00/40/48/1345004048.db2.gz MHBINWVJKXVOGJ-RAFMOHDBSA-N 2 1 349.563 3.407 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001039406492 1345051481 /nfs/dbraw/zinc/05/14/81/1345051481.db2.gz WJTDYVCEXFILCR-MJGOQNOKSA-N 2 1 340.471 3.059 20 0 EGADMP CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040209292 1345375938 /nfs/dbraw/zinc/37/59/38/1345375938.db2.gz ICHVTBLNKNXORU-YLJYHZDGSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001040209292 1345375940 /nfs/dbraw/zinc/37/59/40/1345375940.db2.gz ICHVTBLNKNXORU-YLJYHZDGSA-N 2 1 346.519 3.121 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(C)C)C2 ZINC001040232176 1345386672 /nfs/dbraw/zinc/38/66/72/1345386672.db2.gz OIEFGMIZUSFYPI-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC(C)C)C2 ZINC001040232176 1345386674 /nfs/dbraw/zinc/38/66/74/1345386674.db2.gz OIEFGMIZUSFYPI-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC(C)C)C2 ZINC001040232176 1345386678 /nfs/dbraw/zinc/38/66/78/1345386678.db2.gz OIEFGMIZUSFYPI-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040245840 1345394150 /nfs/dbraw/zinc/39/41/50/1345394150.db2.gz YODIDFASAWOHEJ-FPOVZHCZSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040245840 1345394153 /nfs/dbraw/zinc/39/41/53/1345394153.db2.gz YODIDFASAWOHEJ-FPOVZHCZSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040245840 1345394156 /nfs/dbraw/zinc/39/41/56/1345394156.db2.gz YODIDFASAWOHEJ-FPOVZHCZSA-N 2 1 347.547 3.142 20 0 EGADMP CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040432931 1345495213 /nfs/dbraw/zinc/49/52/13/1345495213.db2.gz QIURGPGLYNEKLJ-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040432931 1345495217 /nfs/dbraw/zinc/49/52/17/1345495217.db2.gz QIURGPGLYNEKLJ-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040543934 1345539219 /nfs/dbraw/zinc/53/92/19/1345539219.db2.gz RUBCSADKYLXMPP-CTNGQTDRSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)CC1 ZINC001040869427 1345590631 /nfs/dbraw/zinc/59/06/31/1345590631.db2.gz HXAISNRQCPUETJ-UHFFFAOYSA-N 2 1 346.519 3.121 20 0 EGADMP CC(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001040874941 1345592429 /nfs/dbraw/zinc/59/24/29/1345592429.db2.gz NDNBRDOHNWCZBG-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)CC1 ZINC001040882327 1345593496 /nfs/dbraw/zinc/59/34/96/1345593496.db2.gz CSISOYVSWUSHIO-RBUKOAKNSA-N 2 1 347.547 3.118 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCC(C)C)CC2 ZINC001040953630 1345609587 /nfs/dbraw/zinc/60/95/87/1345609587.db2.gz QZCJAIFXSQRBFR-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041299702 1345696607 /nfs/dbraw/zinc/69/66/07/1345696607.db2.gz DPNAOFJBNXSBTP-XLIONFOSSA-N 2 1 346.519 3.121 20 0 EGADMP CCCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041299702 1345696611 /nfs/dbraw/zinc/69/66/11/1345696611.db2.gz DPNAOFJBNXSBTP-XLIONFOSSA-N 2 1 346.519 3.121 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCC3CCCC3)C2)C1)[NH+](C)C ZINC001041378092 1345712086 /nfs/dbraw/zinc/71/20/86/1345712086.db2.gz GZTUKALBZIRVMC-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725504 1345832684 /nfs/dbraw/zinc/83/26/84/1345832684.db2.gz NSYGXGLPBSIEQH-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042365319 1346058164 /nfs/dbraw/zinc/05/81/64/1346058164.db2.gz MZLSQJYTMRSJSP-QUCCMNQESA-N 2 1 343.515 3.085 20 0 EGADMP CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]21 ZINC001042373938 1346062899 /nfs/dbraw/zinc/06/28/99/1346062899.db2.gz FKWGRLDYYCDTTJ-AEFFLSMTSA-N 2 1 347.503 3.068 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1C[NH+](CC2CCCCCC2)C1 ZINC001042920230 1346125308 /nfs/dbraw/zinc/12/53/08/1346125308.db2.gz WSIIQESRUMJOBG-LJQANCHMSA-N 2 1 349.563 3.362 20 0 EGADMP CC1CC[NH+](CC(=O)N(C)C2C[NH+](CC[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC001044086185 1346244918 /nfs/dbraw/zinc/24/49/18/1346244918.db2.gz PFCQIJXGKLCIAF-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CC2CCCCC2)C1 ZINC001044170922 1346265545 /nfs/dbraw/zinc/26/55/45/1346265545.db2.gz XVAUMUHTUUNOPR-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@H](C)C2)cs1 ZINC001044630792 1346388231 /nfs/dbraw/zinc/38/82/31/1346388231.db2.gz YXFXOSIAAKYARK-RHSMWYFYSA-N 2 1 349.544 3.010 20 0 EGADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001045037234 1346484079 /nfs/dbraw/zinc/48/40/79/1346484079.db2.gz JWUXWGLTWBPRHX-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1(C)CC[NH+](CCC2CCCCC2)CC1 ZINC001045529135 1346618590 /nfs/dbraw/zinc/61/85/90/1346618590.db2.gz NFIIFTZVMUFZKL-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC2(C)CC[NH+](CC3CC(C)(C)C3)CC2)CC[N@H+]1C ZINC001045536168 1346620462 /nfs/dbraw/zinc/62/04/62/1346620462.db2.gz JPAPVJMPNDEYAX-WMZOPIPTSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1(C)CC[NH+](CC2CCCCCC2)CC1 ZINC001045557371 1346628617 /nfs/dbraw/zinc/62/86/17/1346628617.db2.gz IMQGEXVIHBZKPY-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001045842202 1346717448 /nfs/dbraw/zinc/71/74/48/1346717448.db2.gz ZGWUPVZBKQBIAR-CEXWTWQISA-N 2 1 349.563 3.074 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001045862304 1346724667 /nfs/dbraw/zinc/72/46/67/1346724667.db2.gz ZCFXNVFEAHTAFR-NXHRZFHOSA-N 2 1 346.519 3.090 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001045862304 1346724672 /nfs/dbraw/zinc/72/46/72/1346724672.db2.gz ZCFXNVFEAHTAFR-NXHRZFHOSA-N 2 1 346.519 3.090 20 0 EGADMP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986186 1346827799 /nfs/dbraw/zinc/82/77/99/1346827799.db2.gz JLVKPBOOQFSYCW-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001045986186 1346827800 /nfs/dbraw/zinc/82/78/00/1346827800.db2.gz JLVKPBOOQFSYCW-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001045986186 1346827801 /nfs/dbraw/zinc/82/78/01/1346827801.db2.gz JLVKPBOOQFSYCW-FPOVZHCZSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001046739863 1347078315 /nfs/dbraw/zinc/07/83/15/1347078315.db2.gz XHTGLISPQMFXBF-OAQYLSRUSA-N 2 1 349.563 3.124 20 0 EGADMP CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001047246616 1347271536 /nfs/dbraw/zinc/27/15/36/1347271536.db2.gz SVBQDWLYDLXKPP-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC2CCCC2)C1 ZINC001047991658 1347436348 /nfs/dbraw/zinc/43/63/48/1347436348.db2.gz GUABANJVYMPHBM-WMZOPIPTSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001048533319 1347581750 /nfs/dbraw/zinc/58/17/50/1347581750.db2.gz AJVRJVKTDNCXTQ-GSEOLPGOSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001048533319 1347581752 /nfs/dbraw/zinc/58/17/52/1347581752.db2.gz AJVRJVKTDNCXTQ-GSEOLPGOSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001048533319 1347581754 /nfs/dbraw/zinc/58/17/54/1347581754.db2.gz AJVRJVKTDNCXTQ-GSEOLPGOSA-N 2 1 347.547 3.161 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CC(C)C)C1 ZINC001048556973 1347591353 /nfs/dbraw/zinc/59/13/53/1347591353.db2.gz ABYXHRAVADNNIB-YSTOQKLRSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC(C)C)C1 ZINC001048556973 1347591354 /nfs/dbraw/zinc/59/13/54/1347591354.db2.gz ABYXHRAVADNNIB-YSTOQKLRSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(C)C)C1 ZINC001048556973 1347591356 /nfs/dbraw/zinc/59/13/56/1347591356.db2.gz ABYXHRAVADNNIB-YSTOQKLRSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001048572844 1347599456 /nfs/dbraw/zinc/59/94/56/1347599456.db2.gz SXCBEIAXVPBFRU-YRPNKDGESA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001048572844 1347599458 /nfs/dbraw/zinc/59/94/58/1347599458.db2.gz SXCBEIAXVPBFRU-YRPNKDGESA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001048572844 1347599460 /nfs/dbraw/zinc/59/94/60/1347599460.db2.gz SXCBEIAXVPBFRU-YRPNKDGESA-N 2 1 349.563 3.409 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001048606547 1347616690 /nfs/dbraw/zinc/61/66/90/1347616690.db2.gz SISLEEATPQNGKB-UFYCRDLUSA-N 2 1 349.563 3.173 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049095402 1347723818 /nfs/dbraw/zinc/72/38/18/1347723818.db2.gz ZYIHPZDPVWZNCU-YSIASYRMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049476093 1347867668 /nfs/dbraw/zinc/86/76/68/1347867668.db2.gz CARLRVTZSAMFAY-MOPGFXCFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049476095 1347867979 /nfs/dbraw/zinc/86/79/79/1347867979.db2.gz CARLRVTZSAMFAY-RBUKOAKNSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049477435 1347868324 /nfs/dbraw/zinc/86/83/24/1347868324.db2.gz GQSSWRNVOVRHTH-RBUKOAKNSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCC1 ZINC001049520625 1347889149 /nfs/dbraw/zinc/88/91/49/1347889149.db2.gz CXDHTPPLMYKUCX-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCC1 ZINC001049520625 1347889153 /nfs/dbraw/zinc/88/91/53/1347889153.db2.gz CXDHTPPLMYKUCX-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCC1 ZINC001049520625 1347889156 /nfs/dbraw/zinc/88/91/56/1347889156.db2.gz CXDHTPPLMYKUCX-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC1CCCC1)C1CCC1 ZINC001049522429 1347890969 /nfs/dbraw/zinc/89/09/69/1347890969.db2.gz PZCWBSHSHZVJLF-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CCCC1)C1CCC1 ZINC001049522429 1347890971 /nfs/dbraw/zinc/89/09/71/1347890971.db2.gz PZCWBSHSHZVJLF-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CCCC1)C1CCC1 ZINC001049522429 1347890973 /nfs/dbraw/zinc/89/09/73/1347890973.db2.gz PZCWBSHSHZVJLF-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049561537 1347910191 /nfs/dbraw/zinc/91/01/91/1347910191.db2.gz MLFRZURVPLTFTQ-RTBURBONSA-N 2 1 340.471 3.122 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049566294 1347913289 /nfs/dbraw/zinc/91/32/89/1347913289.db2.gz BLAGJSFLKXRGDE-MOPGFXCFSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCCC1 ZINC001049654002 1347956982 /nfs/dbraw/zinc/95/69/82/1347956982.db2.gz FOOJXBFMNCARLL-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CC=C(C)C)C1 ZINC001049664481 1347963477 /nfs/dbraw/zinc/96/34/77/1347963477.db2.gz QLMZQQJPKNICFG-SLFFLAALSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC=C(C)C)C1 ZINC001049664481 1347963480 /nfs/dbraw/zinc/96/34/80/1347963480.db2.gz QLMZQQJPKNICFG-SLFFLAALSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC=C(C)C)C1 ZINC001049664481 1347963483 /nfs/dbraw/zinc/96/34/83/1347963483.db2.gz QLMZQQJPKNICFG-SLFFLAALSA-N 2 1 347.547 3.140 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC(C)C ZINC001049837168 1348049885 /nfs/dbraw/zinc/04/98/85/1348049885.db2.gz OFBBZVANYNINQR-XUVXKRRUSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(C)C ZINC001049837168 1348049886 /nfs/dbraw/zinc/04/98/86/1348049886.db2.gz OFBBZVANYNINQR-XUVXKRRUSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(C)C ZINC001049837168 1348049890 /nfs/dbraw/zinc/04/98/90/1348049890.db2.gz OFBBZVANYNINQR-XUVXKRRUSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049922520 1348114682 /nfs/dbraw/zinc/11/46/82/1348114682.db2.gz ZLNVPIPEEWFSMU-WOJBJXKFSA-N 2 1 343.515 3.083 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC001050385446 1348246361 /nfs/dbraw/zinc/24/63/61/1348246361.db2.gz FWKHSHHOFHQJGZ-ZHALLVOQSA-N 2 1 349.563 3.029 20 0 EGADMP CCCC[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)CC1 ZINC001050525120 1348283232 /nfs/dbraw/zinc/28/32/32/1348283232.db2.gz RRPLWIZOAMKOGH-QGZVFWFLSA-N 2 1 346.519 3.121 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001050577466 1348292815 /nfs/dbraw/zinc/29/28/15/1348292815.db2.gz QUZBEJXUYHOLFW-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001079848531 1357400733 /nfs/dbraw/zinc/40/07/33/1357400733.db2.gz APDDAIASTBISPI-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C ZINC001079848531 1357400735 /nfs/dbraw/zinc/40/07/35/1357400735.db2.gz APDDAIASTBISPI-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C ZINC001079848531 1357400741 /nfs/dbraw/zinc/40/07/41/1357400741.db2.gz APDDAIASTBISPI-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001051349825 1348439900 /nfs/dbraw/zinc/43/99/00/1348439900.db2.gz ZUHCALIXPUSSCP-SXLOBPIMSA-N 2 1 343.515 3.203 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447425 1348543682 /nfs/dbraw/zinc/54/36/82/1348543682.db2.gz DVMPCZOZZBSVFN-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052447425 1348543683 /nfs/dbraw/zinc/54/36/83/1348543683.db2.gz DVMPCZOZZBSVFN-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052447425 1348543685 /nfs/dbraw/zinc/54/36/85/1348543685.db2.gz DVMPCZOZZBSVFN-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2CCCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001052530322 1348566995 /nfs/dbraw/zinc/56/69/95/1348566995.db2.gz WTSBMZATASXHJT-IBGZPJMESA-N 2 1 347.547 3.166 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CC2)CC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001052651875 1348614234 /nfs/dbraw/zinc/61/42/34/1348614234.db2.gz NYLFSEPXMNBXIJ-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CC2CC2)CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001052651875 1348614236 /nfs/dbraw/zinc/61/42/36/1348614236.db2.gz NYLFSEPXMNBXIJ-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CC2CC2)CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001052651875 1348614239 /nfs/dbraw/zinc/61/42/39/1348614239.db2.gz NYLFSEPXMNBXIJ-UYAOXDASSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CCC3CCCCC3)CC2)C1 ZINC001052712514 1348645172 /nfs/dbraw/zinc/64/51/72/1348645172.db2.gz JOZQYBHJUNAYDR-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCC3CCCCC3)CC2)C1 ZINC001052712514 1348645174 /nfs/dbraw/zinc/64/51/74/1348645174.db2.gz JOZQYBHJUNAYDR-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCC3CCCCC3)CC2)C1 ZINC001052712514 1348645177 /nfs/dbraw/zinc/64/51/77/1348645177.db2.gz JOZQYBHJUNAYDR-QUCCMNQESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001052713541 1348645655 /nfs/dbraw/zinc/64/56/55/1348645655.db2.gz ZQJJYDKWYNCXCQ-AZUAARDMSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCC3=CCCCC3)CC2)C1 ZINC001052713541 1348645659 /nfs/dbraw/zinc/64/56/59/1348645659.db2.gz ZQJJYDKWYNCXCQ-AZUAARDMSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCC3=CCCCC3)CC2)C1 ZINC001052713541 1348645661 /nfs/dbraw/zinc/64/56/61/1348645661.db2.gz ZQJJYDKWYNCXCQ-AZUAARDMSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052763711 1348668623 /nfs/dbraw/zinc/66/86/23/1348668623.db2.gz JCVPSMGAGRCSQD-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001052763711 1348668628 /nfs/dbraw/zinc/66/86/28/1348668628.db2.gz JCVPSMGAGRCSQD-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001052763711 1348668631 /nfs/dbraw/zinc/66/86/31/1348668631.db2.gz JCVPSMGAGRCSQD-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@@H+](CCC(C)(C)C)CC2)CC1 ZINC001052766510 1348670877 /nfs/dbraw/zinc/67/08/77/1348670877.db2.gz FSKAEVHLATXKMX-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052786976 1348679731 /nfs/dbraw/zinc/67/97/31/1348679731.db2.gz FSAMMVCIQKEEGU-VQIMIIECSA-N 2 1 349.494 3.081 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](CC3CCCCCC3)CC2)C1 ZINC001052867400 1348709913 /nfs/dbraw/zinc/70/99/13/1348709913.db2.gz LYJKPYWLZWRMQY-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@H+](CC3CCCCCC3)CC2)C1 ZINC001052867400 1348709914 /nfs/dbraw/zinc/70/99/14/1348709914.db2.gz LYJKPYWLZWRMQY-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@@H+](CC3CCCCCC3)CC2)C1 ZINC001052867400 1348709916 /nfs/dbraw/zinc/70/99/16/1348709916.db2.gz LYJKPYWLZWRMQY-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC001052931150 1348753619 /nfs/dbraw/zinc/75/36/19/1348753619.db2.gz OSWJHZYDMJHHOD-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001052931150 1348753624 /nfs/dbraw/zinc/75/36/24/1348753624.db2.gz OSWJHZYDMJHHOD-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCC2CCCC2)CC1 ZINC001052984199 1348788453 /nfs/dbraw/zinc/78/84/53/1348788453.db2.gz FZWUPRIPERRDGS-BGYRXZFFSA-N 2 1 347.547 3.116 20 0 EGADMP CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC2CCCCCC2)CC1 ZINC001052985481 1348788609 /nfs/dbraw/zinc/78/86/09/1348788609.db2.gz PIHGUFMCNIQCCO-OYRHEFFESA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053029971 1348829036 /nfs/dbraw/zinc/82/90/36/1348829036.db2.gz ZGTXTLQWQZJAHM-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053038975 1348840320 /nfs/dbraw/zinc/84/03/20/1348840320.db2.gz BLKHCBZJCWJDAR-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001053038975 1348840321 /nfs/dbraw/zinc/84/03/21/1348840321.db2.gz BLKHCBZJCWJDAR-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001053038975 1348840323 /nfs/dbraw/zinc/84/03/23/1348840323.db2.gz BLKHCBZJCWJDAR-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001079965368 1357440806 /nfs/dbraw/zinc/44/08/06/1357440806.db2.gz GPLWWKDBTMDVAX-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001079965368 1357440811 /nfs/dbraw/zinc/44/08/11/1357440811.db2.gz GPLWWKDBTMDVAX-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001079965368 1357440814 /nfs/dbraw/zinc/44/08/14/1357440814.db2.gz GPLWWKDBTMDVAX-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001079965368 1357440818 /nfs/dbraw/zinc/44/08/18/1357440818.db2.gz GPLWWKDBTMDVAX-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCC3CCCC3)C2)C1)[NH+](C)C ZINC001054154048 1349157053 /nfs/dbraw/zinc/15/70/53/1349157053.db2.gz PRQXWDAAUUTLRI-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219555 1349216405 /nfs/dbraw/zinc/21/64/05/1349216405.db2.gz QFSRLNWPWINXLA-WIYYLYMNSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001054244507 1349238412 /nfs/dbraw/zinc/23/84/12/1349238412.db2.gz WHZJLNJSHLJIJQ-NRFANRHFSA-N 2 1 343.515 3.086 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245527 1349239317 /nfs/dbraw/zinc/23/93/17/1349239317.db2.gz UXQNXMPPTTVSCA-NRFANRHFSA-N 2 1 347.547 3.143 20 0 EGADMP CC(C)[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)cc2C1 ZINC001054269627 1349268475 /nfs/dbraw/zinc/26/84/75/1349268475.db2.gz IFZWHHDXZOQIJO-UXHICEINSA-N 2 1 341.499 3.044 20 0 EGADMP CC(C)[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)cc2C1 ZINC001054269627 1349268478 /nfs/dbraw/zinc/26/84/78/1349268478.db2.gz IFZWHHDXZOQIJO-UXHICEINSA-N 2 1 341.499 3.044 20 0 EGADMP CC(C)[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)cc2C1 ZINC001054269627 1349268481 /nfs/dbraw/zinc/26/84/81/1349268481.db2.gz IFZWHHDXZOQIJO-UXHICEINSA-N 2 1 341.499 3.044 20 0 EGADMP CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+](CCC)C3)cc2C1 ZINC001054277962 1349277924 /nfs/dbraw/zinc/27/79/24/1349277924.db2.gz FTAVMMICGVZOIH-LJQANCHMSA-N 2 1 343.515 3.150 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+](CCC)C3)cc2C1 ZINC001054277962 1349277927 /nfs/dbraw/zinc/27/79/27/1349277927.db2.gz FTAVMMICGVZOIH-LJQANCHMSA-N 2 1 343.515 3.150 20 0 EGADMP CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+](CCC)C3)cc2C1 ZINC001054277962 1349277930 /nfs/dbraw/zinc/27/79/30/1349277930.db2.gz FTAVMMICGVZOIH-LJQANCHMSA-N 2 1 343.515 3.150 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080317995 1357572831 /nfs/dbraw/zinc/57/28/31/1357572831.db2.gz FKFGUJYFZXTLKW-QRQLOZEOSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCCCC3)C[C@H]2C)C1 ZINC001080311053 1357568905 /nfs/dbraw/zinc/56/89/05/1357568905.db2.gz PPNGDGITYHCTMI-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCCCC3)C[C@H]2C)C1 ZINC001080311053 1357568907 /nfs/dbraw/zinc/56/89/07/1357568907.db2.gz PPNGDGITYHCTMI-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCCCC3)C[C@H]2C)C1 ZINC001080311053 1357568910 /nfs/dbraw/zinc/56/89/10/1357568910.db2.gz PPNGDGITYHCTMI-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCCC3CCC3)C[C@H]2C)C1 ZINC001080310948 1357569250 /nfs/dbraw/zinc/56/92/50/1357569250.db2.gz KTOIJYFASQCBMZ-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCC3CCC3)C[C@H]2C)C1 ZINC001080310948 1357569254 /nfs/dbraw/zinc/56/92/54/1357569254.db2.gz KTOIJYFASQCBMZ-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCC3CCC3)C[C@H]2C)C1 ZINC001080310948 1357569258 /nfs/dbraw/zinc/56/92/58/1357569258.db2.gz KTOIJYFASQCBMZ-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001080317995 1357572835 /nfs/dbraw/zinc/57/28/35/1357572835.db2.gz FKFGUJYFZXTLKW-QRQLOZEOSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001080317995 1357572839 /nfs/dbraw/zinc/57/28/39/1357572839.db2.gz FKFGUJYFZXTLKW-QRQLOZEOSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001080556996 1357677152 /nfs/dbraw/zinc/67/71/52/1357677152.db2.gz AZAWOPPBJQOHSU-BHIYHBOVSA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001080556996 1357677156 /nfs/dbraw/zinc/67/71/56/1357677156.db2.gz AZAWOPPBJQOHSU-BHIYHBOVSA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001080556996 1357677160 /nfs/dbraw/zinc/67/71/60/1357677160.db2.gz AZAWOPPBJQOHSU-BHIYHBOVSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554542 1357677344 /nfs/dbraw/zinc/67/73/44/1357677344.db2.gz VAFMXWXKLUOJAL-WSTZPKSXSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001080756206 1357733661 /nfs/dbraw/zinc/73/36/61/1357733661.db2.gz LXYJORVAKYFKAM-QRVBRYPASA-N 2 1 335.536 3.044 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC)C1 ZINC001183128961 1387266579 /nfs/dbraw/zinc/26/65/79/1387266579.db2.gz BDGHIDKVJHQGQU-QWFCFKBJSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CCCC1CCC1 ZINC001071645251 1354823914 /nfs/dbraw/zinc/82/39/14/1354823914.db2.gz IFXINJYZFZOCGQ-HKUYNNGSSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@H+]1CC1CCCC1 ZINC001071650327 1354827424 /nfs/dbraw/zinc/82/74/24/1354827424.db2.gz BCGLEZCXOWHOLL-CRAIPNDOSA-N 2 1 340.471 3.107 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@H+]1CCC(C)(C)C ZINC001071689198 1354852385 /nfs/dbraw/zinc/85/23/85/1354852385.db2.gz HLZWMAGVTUVIEL-WBVHZDCISA-N 2 1 342.487 3.353 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001071689152 1354852413 /nfs/dbraw/zinc/85/24/13/1354852413.db2.gz GPOWOUINFKRYCX-MAUKXSAKSA-N 2 1 342.487 3.353 20 0 EGADMP C[N@@H+](CC1CCC1)C[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001089200506 1360247541 /nfs/dbraw/zinc/24/75/41/1360247541.db2.gz OHFNWRKOFCDLBJ-IBGZPJMESA-N 2 1 340.471 3.061 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC3CCCC3)C2)CC1 ZINC001071954574 1355041513 /nfs/dbraw/zinc/04/15/13/1355041513.db2.gz QWGRFCWMSVFKCK-YLJYHZDGSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)C2 ZINC001072813392 1355449122 /nfs/dbraw/zinc/44/91/22/1355449122.db2.gz QIOWENWHBLCOFI-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2 ZINC001072813392 1355449124 /nfs/dbraw/zinc/44/91/24/1355449124.db2.gz QIOWENWHBLCOFI-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2 ZINC001072813392 1355449125 /nfs/dbraw/zinc/44/91/25/1355449125.db2.gz QIOWENWHBLCOFI-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001183221723 1387281799 /nfs/dbraw/zinc/28/17/99/1387281799.db2.gz ZTJAGWBBYKPOCR-WIYYLYMNSA-N 2 1 349.563 3.293 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073462640 1355796231 /nfs/dbraw/zinc/79/62/31/1355796231.db2.gz VPBXULIFTIMLFX-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCC2)[C@@H]1C ZINC001074686223 1356224430 /nfs/dbraw/zinc/22/44/30/1356224430.db2.gz ZORYHQNCVMNHID-SXLOBPIMSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001075457101 1356389385 /nfs/dbraw/zinc/38/93/85/1356389385.db2.gz JXWNMCYSYNZDDD-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001099297850 1363737017 /nfs/dbraw/zinc/73/70/17/1363737017.db2.gz JIUIXNQFDLDONU-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1 ZINC001099297850 1363737020 /nfs/dbraw/zinc/73/70/20/1363737020.db2.gz JIUIXNQFDLDONU-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCCC1 ZINC001099297850 1363737023 /nfs/dbraw/zinc/73/70/23/1363737023.db2.gz JIUIXNQFDLDONU-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC=C(C)C)C[C@H]1C ZINC001080756206 1357733657 /nfs/dbraw/zinc/73/36/57/1357733657.db2.gz LXYJORVAKYFKAM-QRVBRYPASA-N 2 1 335.536 3.044 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001080756206 1357733660 /nfs/dbraw/zinc/73/36/60/1357733660.db2.gz LXYJORVAKYFKAM-QRVBRYPASA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCC3CCCCCC3)C[C@H]21)[NH+](C)C ZINC001084448919 1358216810 /nfs/dbraw/zinc/21/68/10/1358216810.db2.gz KOCMLQJGYKNTFJ-VAMGGRTRSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3CCCCC3)[C@H]2C1)[NH+](C)C ZINC001085025366 1358370590 /nfs/dbraw/zinc/37/05/90/1358370590.db2.gz WLWICICRFYOGCC-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001085049751 1358378687 /nfs/dbraw/zinc/37/86/87/1358378687.db2.gz WQVZOAADSQFBGV-AABGKKOBSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049751 1358378690 /nfs/dbraw/zinc/37/86/90/1358378690.db2.gz WQVZOAADSQFBGV-AABGKKOBSA-N 2 1 347.547 3.138 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049751 1358378691 /nfs/dbraw/zinc/37/86/91/1358378691.db2.gz WQVZOAADSQFBGV-AABGKKOBSA-N 2 1 347.547 3.138 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C)cs1 ZINC001085246017 1358443257 /nfs/dbraw/zinc/44/32/57/1358443257.db2.gz YTSYWHZIEXBADY-KURKYZTESA-N 2 1 349.544 3.058 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001085331809 1358470466 /nfs/dbraw/zinc/47/04/66/1358470466.db2.gz APKOQRVGFKRJRK-BHIYHBOVSA-N 2 1 335.536 3.068 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001085432482 1358498425 /nfs/dbraw/zinc/49/84/25/1358498425.db2.gz ZOXVHVBZQZAFGK-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085798801 1358774021 /nfs/dbraw/zinc/77/40/21/1358774021.db2.gz AYJLLUNHZYXACQ-UXHICEINSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCC1 ZINC001085855730 1358822181 /nfs/dbraw/zinc/82/21/81/1358822181.db2.gz IBRFXMRLWMYCJR-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001085855730 1358822182 /nfs/dbraw/zinc/82/21/82/1358822182.db2.gz IBRFXMRLWMYCJR-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001085855730 1358822183 /nfs/dbraw/zinc/82/21/83/1358822183.db2.gz IBRFXMRLWMYCJR-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC1CCC1 ZINC001085855780 1358822689 /nfs/dbraw/zinc/82/26/89/1358822689.db2.gz JCIJMIOLANKSOW-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC1CCC1 ZINC001085855780 1358822691 /nfs/dbraw/zinc/82/26/91/1358822691.db2.gz JCIJMIOLANKSOW-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCC1 ZINC001085855780 1358822695 /nfs/dbraw/zinc/82/26/95/1358822695.db2.gz JCIJMIOLANKSOW-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994166 1358948614 /nfs/dbraw/zinc/94/86/14/1358948614.db2.gz DOXSRADYXWDOSW-DLBZAZTESA-N 2 1 349.519 3.314 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2CCC(C)C)o1 ZINC001085994618 1358949745 /nfs/dbraw/zinc/94/97/45/1358949745.db2.gz PVHROLLUHJVBLC-KRWDZBQOSA-N 2 1 349.519 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001086456148 1359102716 /nfs/dbraw/zinc/10/27/16/1359102716.db2.gz SMKGIDZKYFMUHZ-UFYCRDLUSA-N 2 1 347.547 3.093 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC001086850014 1359213592 /nfs/dbraw/zinc/21/35/92/1359213592.db2.gz MCTGEZHLZVSYEC-XUVXKRRUSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC3(C[C@@H]2C)CC[NH+](C(C)C)CC3)C1 ZINC001086926103 1359251480 /nfs/dbraw/zinc/25/14/80/1359251480.db2.gz PCRQEHJGXZOKFD-OALUTQOASA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942551 1359264101 /nfs/dbraw/zinc/26/41/01/1359264101.db2.gz VDQKHOBNIIEJNR-RTBURBONSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1CCC1CCCCC1 ZINC001087577937 1359539664 /nfs/dbraw/zinc/53/96/64/1359539664.db2.gz RFLNMXNQTYGBIX-RSPOEFSDSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1CCC1CCCCC1 ZINC001087577937 1359539669 /nfs/dbraw/zinc/53/96/69/1359539669.db2.gz RFLNMXNQTYGBIX-RSPOEFSDSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1CCC1CCCCC1 ZINC001087577937 1359539673 /nfs/dbraw/zinc/53/96/73/1359539673.db2.gz RFLNMXNQTYGBIX-RSPOEFSDSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1CC1CCC1 ZINC001087590389 1359546528 /nfs/dbraw/zinc/54/65/28/1359546528.db2.gz AGUWYSUWRFNWPM-DLBZAZTESA-N 2 1 349.544 3.193 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@H+]1CC1CCC1 ZINC001087590389 1359546539 /nfs/dbraw/zinc/54/65/39/1359546539.db2.gz AGUWYSUWRFNWPM-DLBZAZTESA-N 2 1 349.544 3.193 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1CC ZINC001087593572 1359547857 /nfs/dbraw/zinc/54/78/57/1359547857.db2.gz LTNILIZXAPJOEQ-ZCNNSNEGSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1CC ZINC001087593572 1359547859 /nfs/dbraw/zinc/54/78/59/1359547859.db2.gz LTNILIZXAPJOEQ-ZCNNSNEGSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1CC ZINC001087593572 1359547861 /nfs/dbraw/zinc/54/78/61/1359547861.db2.gz LTNILIZXAPJOEQ-ZCNNSNEGSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@H+]1CCCC1CCC1 ZINC001087725877 1359613319 /nfs/dbraw/zinc/61/33/19/1359613319.db2.gz IPEMSYJSTCJREV-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC[NH+]1CCCC1CCC1 ZINC001087725877 1359613323 /nfs/dbraw/zinc/61/33/23/1359613323.db2.gz IPEMSYJSTCJREV-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC[NH+]1CCCC1CCC1 ZINC001087725877 1359613324 /nfs/dbraw/zinc/61/33/24/1359613324.db2.gz IPEMSYJSTCJREV-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1CC1CC2(CCC2)C1 ZINC001087726095 1359614699 /nfs/dbraw/zinc/61/46/99/1359614699.db2.gz QQBYLPYMFHYMPY-YTQUADARSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1CC1CC2(CCC2)C1 ZINC001087726095 1359614701 /nfs/dbraw/zinc/61/47/01/1359614701.db2.gz QQBYLPYMFHYMPY-YTQUADARSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1CC1CC2(CCC2)C1 ZINC001087726095 1359614703 /nfs/dbraw/zinc/61/47/03/1359614703.db2.gz QQBYLPYMFHYMPY-YTQUADARSA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001088367996 1359852180 /nfs/dbraw/zinc/85/21/80/1359852180.db2.gz YVDCXHTYGOTJOU-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CCCCC[C@H]([NH2+]CC3CCCC3)C2)C1 ZINC001088380729 1359864541 /nfs/dbraw/zinc/86/45/41/1359864541.db2.gz NXYICVKLGAJGBG-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCCC[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001088381997 1359865275 /nfs/dbraw/zinc/86/52/75/1359865275.db2.gz ROQBCEGZNJGFTM-AZUAARDMSA-N 2 1 347.547 3.189 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCCCC[C@@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001088413281 1359884360 /nfs/dbraw/zinc/88/43/60/1359884360.db2.gz BXVYYQASBIJZHQ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001088693110 1360013437 /nfs/dbraw/zinc/01/34/37/1360013437.db2.gz LWXRBZIOUKNBPB-HOJAQTOUSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H]1C ZINC001088693110 1360013440 /nfs/dbraw/zinc/01/34/40/1360013440.db2.gz LWXRBZIOUKNBPB-HOJAQTOUSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)[C@@H]1C ZINC001088693110 1360013442 /nfs/dbraw/zinc/01/34/42/1360013442.db2.gz LWXRBZIOUKNBPB-HOJAQTOUSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@@H+]1CCC1CCCC1 ZINC001088822673 1360063430 /nfs/dbraw/zinc/06/34/30/1360063430.db2.gz CGSUTNRGTYPBFO-QAPCUYQASA-N 2 1 347.503 3.114 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@H+]1CCC1CCCC1 ZINC001088822673 1360063433 /nfs/dbraw/zinc/06/34/33/1360063433.db2.gz CGSUTNRGTYPBFO-QAPCUYQASA-N 2 1 347.503 3.114 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCC1CCCCCC1 ZINC001088836103 1360070922 /nfs/dbraw/zinc/07/09/22/1360070922.db2.gz FNXCJCUDBBFPNA-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC2CCCCC2)CC[N@H+]1C ZINC001089181532 1360230755 /nfs/dbraw/zinc/23/07/55/1360230755.db2.gz UEMQSNDJGLJRSR-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[N@H+](C)CC2CCCCC2)CC[NH+]1C ZINC001089181532 1360230759 /nfs/dbraw/zinc/23/07/59/1360230759.db2.gz UEMQSNDJGLJRSR-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CCCCC2)CC[NH+]1C ZINC001089181532 1360230760 /nfs/dbraw/zinc/23/07/60/1360230760.db2.gz UEMQSNDJGLJRSR-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1=CCCCC1)C1CCC1 ZINC001089186599 1360237042 /nfs/dbraw/zinc/23/70/42/1360237042.db2.gz IMNKVXYYEHLKGQ-FQEVSTJZSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001089186599 1360237045 /nfs/dbraw/zinc/23/70/45/1360237045.db2.gz IMNKVXYYEHLKGQ-FQEVSTJZSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001089186599 1360237047 /nfs/dbraw/zinc/23/70/47/1360237047.db2.gz IMNKVXYYEHLKGQ-FQEVSTJZSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001089207728 1360252929 /nfs/dbraw/zinc/25/29/29/1360252929.db2.gz AVZNQDOMPOGMST-YZGWKJHDSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001089207728 1360252931 /nfs/dbraw/zinc/25/29/31/1360252931.db2.gz AVZNQDOMPOGMST-YZGWKJHDSA-N 2 1 343.515 3.155 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001089207728 1360252934 /nfs/dbraw/zinc/25/29/34/1360252934.db2.gz AVZNQDOMPOGMST-YZGWKJHDSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccccc1C)[NH+](C)C ZINC001089226266 1360267928 /nfs/dbraw/zinc/26/79/28/1360267928.db2.gz YABQALNLBAYPPX-PMACEKPBSA-N 2 1 345.531 3.148 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2C[NH+](C)CC2=CCCCC2)C1 ZINC001089227406 1360268871 /nfs/dbraw/zinc/26/88/71/1360268871.db2.gz UGXYJEPSIZBQPJ-ICSRJNTNSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCCC[C@H]2C[N@H+](C)CC2=CCCCC2)C1 ZINC001089227406 1360268872 /nfs/dbraw/zinc/26/88/72/1360268872.db2.gz UGXYJEPSIZBQPJ-ICSRJNTNSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCCC[C@H]2C[N@@H+](C)CC2=CCCCC2)C1 ZINC001089227406 1360268875 /nfs/dbraw/zinc/26/88/75/1360268875.db2.gz UGXYJEPSIZBQPJ-ICSRJNTNSA-N 2 1 347.547 3.142 20 0 EGADMP Cc1c(C(=O)N[C@H]2CC[N@H+](C(C)C)CC(C)(C)C2)ccc2c[nH+]cn21 ZINC001089426182 1360419008 /nfs/dbraw/zinc/41/90/08/1360419008.db2.gz HZPPAQGRWWZERB-INIZCTEOSA-N 2 1 342.487 3.272 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089426535 1360419238 /nfs/dbraw/zinc/41/92/38/1360419238.db2.gz IYEDRIZWRCPBBJ-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089426535 1360419242 /nfs/dbraw/zinc/41/92/42/1360419242.db2.gz IYEDRIZWRCPBBJ-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC(C)(C)C1 ZINC001089426535 1360419244 /nfs/dbraw/zinc/41/92/44/1360419244.db2.gz IYEDRIZWRCPBBJ-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089441564 1360431691 /nfs/dbraw/zinc/43/16/91/1360431691.db2.gz IGSLWEZZQDMHTA-KRWDZBQOSA-N 2 1 342.487 3.355 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C(C)C)CC(C)(C)C1 ZINC001089511166 1360482936 /nfs/dbraw/zinc/48/29/36/1360482936.db2.gz NBUADDVUZUUUGS-ZWKOTPCHSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C(C)C)CC(C)(C)C1 ZINC001089511166 1360482937 /nfs/dbraw/zinc/48/29/37/1360482937.db2.gz NBUADDVUZUUUGS-ZWKOTPCHSA-N 2 1 337.552 3.265 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2=CCCCC2)C1 ZINC001089731952 1360635764 /nfs/dbraw/zinc/63/57/64/1360635764.db2.gz ITQRRAHRYKKZRR-OALUTQOASA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC2=CCCCC2)C1 ZINC001089731952 1360635768 /nfs/dbraw/zinc/63/57/68/1360635768.db2.gz ITQRRAHRYKKZRR-OALUTQOASA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC2=CCCCC2)C1 ZINC001089731952 1360635769 /nfs/dbraw/zinc/63/57/69/1360635769.db2.gz ITQRRAHRYKKZRR-OALUTQOASA-N 2 1 347.547 3.045 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CCCC2CCC2)C1 ZINC001089732187 1360636053 /nfs/dbraw/zinc/63/60/53/1360636053.db2.gz OPNKANUVXAIUTM-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CCCC2CCC2)C1 ZINC001089732187 1360636057 /nfs/dbraw/zinc/63/60/57/1360636057.db2.gz OPNKANUVXAIUTM-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CCCC2CCC2)C1 ZINC001089732187 1360636060 /nfs/dbraw/zinc/63/60/60/1360636060.db2.gz OPNKANUVXAIUTM-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CC3CCCCC3)C2)C1 ZINC001091064777 1360988166 /nfs/dbraw/zinc/98/81/66/1360988166.db2.gz PULQLBPZHBRGRR-IOJLRTSASA-N 2 1 349.563 3.029 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001184577427 1387496593 /nfs/dbraw/zinc/49/65/93/1387496593.db2.gz MNTBWIWSUMQWMQ-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001184577351 1387496732 /nfs/dbraw/zinc/49/67/32/1387496732.db2.gz LYMFMKPRQLUVNB-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1C ZINC001092658150 1361434373 /nfs/dbraw/zinc/43/43/73/1361434373.db2.gz JTKIDFCYTBTRIC-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C ZINC001092658150 1361434376 /nfs/dbraw/zinc/43/43/76/1361434376.db2.gz JTKIDFCYTBTRIC-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C ZINC001092658150 1361434380 /nfs/dbraw/zinc/43/43/80/1361434380.db2.gz JTKIDFCYTBTRIC-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001184711136 1387516392 /nfs/dbraw/zinc/51/63/92/1387516392.db2.gz BPCUOLKSMZTJRG-MJGOQNOKSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC2CC2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001324075257 1387530240 /nfs/dbraw/zinc/53/02/40/1387530240.db2.gz PVRATYIRUWLHGF-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094413400 1361790425 /nfs/dbraw/zinc/79/04/25/1361790425.db2.gz DNVDXAWFSTZWPC-SFHLNBCPSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094413400 1361790429 /nfs/dbraw/zinc/79/04/29/1361790429.db2.gz DNVDXAWFSTZWPC-SFHLNBCPSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094413400 1361790432 /nfs/dbraw/zinc/79/04/32/1361790432.db2.gz DNVDXAWFSTZWPC-SFHLNBCPSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCC(C)C)CC3)CC[N@H+]1C ZINC001094421171 1361794442 /nfs/dbraw/zinc/79/44/42/1361794442.db2.gz RUWYVDCBSMDDED-QEUVDIPISA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCC(C)C)CC3)CC[NH+]1C ZINC001094421171 1361794445 /nfs/dbraw/zinc/79/44/45/1361794445.db2.gz RUWYVDCBSMDDED-QEUVDIPISA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCC(C)C)CC3)CC[NH+]1C ZINC001094421171 1361794448 /nfs/dbraw/zinc/79/44/48/1361794448.db2.gz RUWYVDCBSMDDED-QEUVDIPISA-N 2 1 349.563 3.124 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)(C)CC1 ZINC001095242346 1362065048 /nfs/dbraw/zinc/06/50/48/1362065048.db2.gz MDTHHBZYAIURLA-YDZRNGNQSA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC(C)(C)CC1 ZINC001095242346 1362065049 /nfs/dbraw/zinc/06/50/49/1362065049.db2.gz MDTHHBZYAIURLA-YDZRNGNQSA-N 2 1 347.547 3.019 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC(C)(C)CC1 ZINC001095242346 1362065053 /nfs/dbraw/zinc/06/50/53/1362065053.db2.gz MDTHHBZYAIURLA-YDZRNGNQSA-N 2 1 347.547 3.019 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001095498731 1362157426 /nfs/dbraw/zinc/15/74/26/1362157426.db2.gz CCNWSQGLJBHBJO-OWSLCNJRSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001095498731 1362157428 /nfs/dbraw/zinc/15/74/28/1362157428.db2.gz CCNWSQGLJBHBJO-OWSLCNJRSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001095498731 1362157431 /nfs/dbraw/zinc/15/74/31/1362157431.db2.gz CCNWSQGLJBHBJO-OWSLCNJRSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1)[NH+]1CCCC1 ZINC001095863506 1362258326 /nfs/dbraw/zinc/25/83/26/1362258326.db2.gz RGUMGHKASRAZCC-QYZOEREBSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)C ZINC001096314271 1362460345 /nfs/dbraw/zinc/46/03/45/1362460345.db2.gz APZFUJAWGHGCEW-FYQPLNBISA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)C ZINC001096314271 1362460348 /nfs/dbraw/zinc/46/03/48/1362460348.db2.gz APZFUJAWGHGCEW-FYQPLNBISA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001096314271 1362460354 /nfs/dbraw/zinc/46/03/54/1362460354.db2.gz APZFUJAWGHGCEW-FYQPLNBISA-N 2 1 349.563 3.409 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCC1 ZINC001096610722 1362595947 /nfs/dbraw/zinc/59/59/47/1362595947.db2.gz CHVDYNFLDDWRDR-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001096610722 1362595950 /nfs/dbraw/zinc/59/59/50/1362595950.db2.gz CHVDYNFLDDWRDR-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001096610722 1362595955 /nfs/dbraw/zinc/59/59/55/1362595955.db2.gz CHVDYNFLDDWRDR-FUMNGEBKSA-N 2 1 347.547 3.163 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001097444707 1362993451 /nfs/dbraw/zinc/99/34/51/1362993451.db2.gz DDNOETPFJFRZRU-QRQLOZEOSA-N 2 1 340.471 3.106 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CC1 ZINC001098191449 1363250602 /nfs/dbraw/zinc/25/06/02/1363250602.db2.gz GSZDOYSRXXTLEM-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1 ZINC001098191449 1363250605 /nfs/dbraw/zinc/25/06/05/1363250605.db2.gz GSZDOYSRXXTLEM-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001098191449 1363250606 /nfs/dbraw/zinc/25/06/06/1363250606.db2.gz GSZDOYSRXXTLEM-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001324449233 1387624988 /nfs/dbraw/zinc/62/49/88/1387624988.db2.gz BHGATVNQHITNIX-VQTJNVASSA-N 2 1 339.483 3.089 20 0 EGADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCCC1CCCC1)C2 ZINC001098760966 1363459987 /nfs/dbraw/zinc/45/99/87/1363459987.db2.gz MVAMAWVMTIMYLP-ZVDOUQERSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCCC1CCCC1)C2 ZINC001098760966 1363459989 /nfs/dbraw/zinc/45/99/89/1363459989.db2.gz MVAMAWVMTIMYLP-ZVDOUQERSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC1CCCC1)C2 ZINC001098760966 1363459994 /nfs/dbraw/zinc/45/99/94/1363459994.db2.gz MVAMAWVMTIMYLP-ZVDOUQERSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC1CCCC1)C2 ZINC001098760966 1363459995 /nfs/dbraw/zinc/45/99/95/1363459995.db2.gz MVAMAWVMTIMYLP-ZVDOUQERSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098875060 1363501563 /nfs/dbraw/zinc/50/15/63/1363501563.db2.gz MEERVTWMGIHXHP-ZJOUEHCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098875060 1363501564 /nfs/dbraw/zinc/50/15/64/1363501564.db2.gz MEERVTWMGIHXHP-ZJOUEHCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001098875060 1363501567 /nfs/dbraw/zinc/50/15/67/1363501567.db2.gz MEERVTWMGIHXHP-ZJOUEHCJSA-N 2 1 349.563 3.266 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001099116949 1363633070 /nfs/dbraw/zinc/63/30/70/1363633070.db2.gz XXLYCSXZVJDJMQ-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001099116949 1363633072 /nfs/dbraw/zinc/63/30/72/1363633072.db2.gz XXLYCSXZVJDJMQ-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCC1 ZINC001099116949 1363633077 /nfs/dbraw/zinc/63/30/77/1363633077.db2.gz XXLYCSXZVJDJMQ-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099215768 1363696246 /nfs/dbraw/zinc/69/62/46/1363696246.db2.gz ZLPFCXUTAMYLTM-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CC(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099234021 1363705320 /nfs/dbraw/zinc/70/53/20/1363705320.db2.gz GBTODHPGSHLPED-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001099234021 1363705322 /nfs/dbraw/zinc/70/53/22/1363705322.db2.gz GBTODHPGSHLPED-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001099234021 1363705323 /nfs/dbraw/zinc/70/53/23/1363705323.db2.gz GBTODHPGSHLPED-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099240916 1363709167 /nfs/dbraw/zinc/70/91/67/1363709167.db2.gz VQJMJLBUOUWLDO-OXUXSNCKSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001099240916 1363709169 /nfs/dbraw/zinc/70/91/69/1363709169.db2.gz VQJMJLBUOUWLDO-OXUXSNCKSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001099240916 1363709173 /nfs/dbraw/zinc/70/91/73/1363709173.db2.gz VQJMJLBUOUWLDO-OXUXSNCKSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001099252309 1363714549 /nfs/dbraw/zinc/71/45/49/1363714549.db2.gz UMNBORJHOWRJOP-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001099252307 1363715128 /nfs/dbraw/zinc/71/51/28/1363715128.db2.gz UMNBORJHOWRJOP-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310410 1363743324 /nfs/dbraw/zinc/74/33/24/1363743324.db2.gz LGLAVIPVWQUTHJ-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CC[C@H](F)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310642 1363744284 /nfs/dbraw/zinc/74/42/84/1363744284.db2.gz RTYMUMFMDMFGFL-DLBZAZTESA-N 2 1 343.531 3.073 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099354204 1363768220 /nfs/dbraw/zinc/76/82/20/1363768220.db2.gz OFHPTCZPEVDQKT-BLGFXRMMSA-N 2 1 337.552 3.290 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001099354204 1363768223 /nfs/dbraw/zinc/76/82/23/1363768223.db2.gz OFHPTCZPEVDQKT-BLGFXRMMSA-N 2 1 337.552 3.290 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001099354204 1363768226 /nfs/dbraw/zinc/76/82/26/1363768226.db2.gz OFHPTCZPEVDQKT-BLGFXRMMSA-N 2 1 337.552 3.290 20 0 EGADMP CC1(C)CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)[N@@H+](CC2CCC2)C1 ZINC001099355107 1363768911 /nfs/dbraw/zinc/76/89/11/1363768911.db2.gz XUQJKDQWRTZVOS-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]C2CC(CNC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001100411678 1364105357 /nfs/dbraw/zinc/10/53/57/1364105357.db2.gz MUOBSCNYMFZWJQ-LRYGQEGESA-N 2 1 343.515 3.025 20 0 EGADMP CCCCC[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001100468706 1364125925 /nfs/dbraw/zinc/12/59/25/1364125925.db2.gz LHIWTHGQPKPYFH-UHFFFAOYSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001100681943 1364216235 /nfs/dbraw/zinc/21/62/35/1364216235.db2.gz ZSZLRHXSPWAVCR-AOCRQIFASA-N 2 1 339.568 3.131 20 0 EGADMP C[N@@H+](CC(=O)NCC1CC([NH2+]CC2CC3(CCC3)C2)C1)CC(C)(C)C ZINC001100681851 1364216382 /nfs/dbraw/zinc/21/63/82/1364216382.db2.gz VMTMOHWBCGUQSD-UHFFFAOYSA-N 2 1 349.563 3.029 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001101036256 1364383663 /nfs/dbraw/zinc/38/36/63/1364383663.db2.gz LNURPWKHTKKIPX-SOAGJPPSSA-N 2 1 349.563 3.316 20 0 EGADMP CCCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001101521873 1364596891 /nfs/dbraw/zinc/59/68/91/1364596891.db2.gz FDNUBDCFZRVDKB-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001101541406 1364607304 /nfs/dbraw/zinc/60/73/04/1364607304.db2.gz DHGFRJVAHVHRDX-IEBWSBKVSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001101574734 1364628827 /nfs/dbraw/zinc/62/88/27/1364628827.db2.gz BDWMYECTOMRAKJ-PKOBYXMFSA-N 2 1 349.563 3.005 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046034 1364821566 /nfs/dbraw/zinc/82/15/66/1364821566.db2.gz IXZMDMFBHQFURH-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102047616 1364822357 /nfs/dbraw/zinc/82/23/57/1364822357.db2.gz NGGVWGJPQGUOLC-KURKYZTESA-N 2 1 346.519 3.025 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102047616 1364822360 /nfs/dbraw/zinc/82/23/60/1364822360.db2.gz NGGVWGJPQGUOLC-KURKYZTESA-N 2 1 346.519 3.025 20 0 EGADMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C)[NH+](C)C ZINC001102071698 1364837344 /nfs/dbraw/zinc/83/73/44/1364837344.db2.gz SELJSVZHMHLBJN-RLLQIKCJSA-N 2 1 349.563 3.147 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102431891 1365051770 /nfs/dbraw/zinc/05/17/70/1365051770.db2.gz AEAAMIFUVODURB-QZTJIDSGSA-N 2 1 348.535 3.127 20 0 EGADMP CC(C)CC[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102431891 1365051777 /nfs/dbraw/zinc/05/17/77/1365051777.db2.gz AEAAMIFUVODURB-QZTJIDSGSA-N 2 1 348.535 3.127 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102598847 1365130343 /nfs/dbraw/zinc/13/03/43/1365130343.db2.gz CLLOFZUDVLZUTE-RTBURBONSA-N 2 1 337.552 3.127 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102613381 1365137725 /nfs/dbraw/zinc/13/77/25/1365137725.db2.gz YSDPPKMQPWPURW-WEPWYQGCSA-N 2 1 349.563 3.293 20 0 EGADMP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001103007356 1365335206 /nfs/dbraw/zinc/33/52/06/1365335206.db2.gz LADPMMAULOWBED-FGTMMUONSA-N 2 1 348.535 3.271 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001103007356 1365335209 /nfs/dbraw/zinc/33/52/09/1365335209.db2.gz LADPMMAULOWBED-FGTMMUONSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185870 1365425486 /nfs/dbraw/zinc/42/54/86/1365425486.db2.gz VNHVRWPUETWMMN-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103397008 1365534693 /nfs/dbraw/zinc/53/46/93/1365534693.db2.gz UGETTWGTOPEJJR-CWHLKURSSA-N 2 1 349.563 3.149 20 0 EGADMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C)[NH+](CC)CC ZINC001103426692 1365553236 /nfs/dbraw/zinc/55/32/36/1365553236.db2.gz IQLAHMMFZDMDRH-QRVBRYPASA-N 2 1 337.552 3.147 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001103438402 1365561303 /nfs/dbraw/zinc/56/13/03/1365561303.db2.gz GKYIWAQLVWICNH-RCCFBDPRSA-N 2 1 339.568 3.085 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001103438402 1365561308 /nfs/dbraw/zinc/56/13/08/1365561308.db2.gz GKYIWAQLVWICNH-RCCFBDPRSA-N 2 1 339.568 3.085 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001103438402 1365561310 /nfs/dbraw/zinc/56/13/10/1365561310.db2.gz GKYIWAQLVWICNH-RCCFBDPRSA-N 2 1 339.568 3.085 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001103439511 1365561752 /nfs/dbraw/zinc/56/17/52/1365561752.db2.gz FXNCJZVKDXOIBB-QZTJIDSGSA-N 2 1 339.568 3.085 20 0 EGADMP CC(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001103439511 1365561754 /nfs/dbraw/zinc/56/17/54/1365561754.db2.gz FXNCJZVKDXOIBB-QZTJIDSGSA-N 2 1 339.568 3.085 20 0 EGADMP CC(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001103439511 1365561755 /nfs/dbraw/zinc/56/17/55/1365561755.db2.gz FXNCJZVKDXOIBB-QZTJIDSGSA-N 2 1 339.568 3.085 20 0 EGADMP CC(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001103536875 1365619742 /nfs/dbraw/zinc/61/97/42/1365619742.db2.gz GZQNCKPUHLIRJD-YLJYHZDGSA-N 2 1 345.531 3.092 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC=C(C)C)C2)C1 ZINC001104573607 1366082723 /nfs/dbraw/zinc/08/27/23/1366082723.db2.gz XPXGEXHZZFPILM-VAMGGRTRSA-N 2 1 349.563 3.149 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2c(C)c(C)n[nH]c2=O)cc1 ZINC001324842569 1387788741 /nfs/dbraw/zinc/78/87/41/1387788741.db2.gz UTQGFQVCKZJBOW-AWEZNQCLSA-N 2 1 337.427 3.144 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC([C@H]2[N@@H+](CC(C)C)CC23CCC3)CC1 ZINC001105396735 1366445081 /nfs/dbraw/zinc/44/50/81/1366445081.db2.gz UKECQSOXZZILDW-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105556638 1366529516 /nfs/dbraw/zinc/52/95/16/1366529516.db2.gz MLBWWYTVKFPQRV-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001106860140 1366818538 /nfs/dbraw/zinc/81/85/38/1366818538.db2.gz KYXFMXWQFPGYPL-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001106905446 1366829104 /nfs/dbraw/zinc/82/91/04/1366829104.db2.gz PXGDNOSDEQCTDT-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107402820 1366953843 /nfs/dbraw/zinc/95/38/43/1366953843.db2.gz SABGWEGBBXTSIB-SFHLNBCPSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107402820 1366953844 /nfs/dbraw/zinc/95/38/44/1366953844.db2.gz SABGWEGBBXTSIB-SFHLNBCPSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001107402820 1366953845 /nfs/dbraw/zinc/95/38/45/1366953845.db2.gz SABGWEGBBXTSIB-SFHLNBCPSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@@H+](CC(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCC1)CC2)CC(C)(C)C ZINC001107552668 1367039238 /nfs/dbraw/zinc/03/92/38/1367039238.db2.gz QVKXMGVRRWWZSH-WIYYLYMNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2)CC(C)(C)C ZINC001107552668 1367039242 /nfs/dbraw/zinc/03/92/42/1367039242.db2.gz QVKXMGVRRWWZSH-WIYYLYMNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2)CC(C)(C)C ZINC001107552668 1367039246 /nfs/dbraw/zinc/03/92/46/1367039246.db2.gz QVKXMGVRRWWZSH-WIYYLYMNSA-N 2 1 349.563 3.125 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)C ZINC001109308069 1367047358 /nfs/dbraw/zinc/04/73/58/1367047358.db2.gz NMDKYHAYPKFEFR-BDXSIMOUSA-N 2 1 346.519 3.164 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001109308069 1367047366 /nfs/dbraw/zinc/04/73/66/1367047366.db2.gz NMDKYHAYPKFEFR-BDXSIMOUSA-N 2 1 346.519 3.164 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CCCC(C)C)CC2 ZINC001107598656 1367065270 /nfs/dbraw/zinc/06/52/70/1367065270.db2.gz PISYOKOMOCWABS-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCC(C)C)CC2 ZINC001107598656 1367065275 /nfs/dbraw/zinc/06/52/75/1367065275.db2.gz PISYOKOMOCWABS-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC(C)C)CC2 ZINC001107598656 1367065279 /nfs/dbraw/zinc/06/52/79/1367065279.db2.gz PISYOKOMOCWABS-UYAOXDASSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633890 1367085872 /nfs/dbraw/zinc/08/58/72/1367085872.db2.gz FPYYAZJZFQYSJM-UYAOXDASSA-N 2 1 335.536 3.023 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109449030 1367128291 /nfs/dbraw/zinc/12/82/91/1367128291.db2.gz BFMREAUOYHLBDP-VSZNYVQBSA-N 2 1 335.536 3.019 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001109449030 1367128298 /nfs/dbraw/zinc/12/82/98/1367128298.db2.gz BFMREAUOYHLBDP-VSZNYVQBSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001109449030 1367128299 /nfs/dbraw/zinc/12/82/99/1367128299.db2.gz BFMREAUOYHLBDP-VSZNYVQBSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001109449030 1367128303 /nfs/dbraw/zinc/12/83/03/1367128303.db2.gz BFMREAUOYHLBDP-VSZNYVQBSA-N 2 1 335.536 3.019 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)CC1 ZINC001109464390 1367138520 /nfs/dbraw/zinc/13/85/20/1367138520.db2.gz YDQKJHOGTARYSH-GXZRBYELSA-N 2 1 349.563 3.265 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC(C)CC1 ZINC001109464390 1367138524 /nfs/dbraw/zinc/13/85/24/1367138524.db2.gz YDQKJHOGTARYSH-GXZRBYELSA-N 2 1 349.563 3.265 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC(C)CC1 ZINC001109464390 1367138527 /nfs/dbraw/zinc/13/85/27/1367138527.db2.gz YDQKJHOGTARYSH-GXZRBYELSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001190084471 1367169153 /nfs/dbraw/zinc/16/91/53/1367169153.db2.gz NWDBJGXQSKTQRS-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001190084471 1367169156 /nfs/dbraw/zinc/16/91/56/1367169156.db2.gz NWDBJGXQSKTQRS-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001190084471 1367169159 /nfs/dbraw/zinc/16/91/59/1367169159.db2.gz NWDBJGXQSKTQRS-QZTJIDSGSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190174612 1367190576 /nfs/dbraw/zinc/19/05/76/1367190576.db2.gz GPVKEPXVAPCNEZ-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190174612 1367190579 /nfs/dbraw/zinc/19/05/79/1367190579.db2.gz GPVKEPXVAPCNEZ-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190174612 1367190583 /nfs/dbraw/zinc/19/05/83/1367190583.db2.gz GPVKEPXVAPCNEZ-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190177131 1367191366 /nfs/dbraw/zinc/19/13/66/1367191366.db2.gz PPQJGSSHAMAUNC-DKFQHHCZSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565202 1367201758 /nfs/dbraw/zinc/20/17/58/1367201758.db2.gz DYMABORKAQUPOD-QYZOEREBSA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001190443157 1367267482 /nfs/dbraw/zinc/26/74/82/1367267482.db2.gz FITHUFZPVQGFFT-IAGOWNOFSA-N 2 1 343.531 3.025 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724208 1367293340 /nfs/dbraw/zinc/29/33/40/1367293340.db2.gz HKYRABCHGZLKOE-SQNIBIBYSA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109724208 1367293346 /nfs/dbraw/zinc/29/33/46/1367293346.db2.gz HKYRABCHGZLKOE-SQNIBIBYSA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109724208 1367293354 /nfs/dbraw/zinc/29/33/54/1367293354.db2.gz HKYRABCHGZLKOE-SQNIBIBYSA-N 2 1 337.552 3.122 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](C)CC ZINC001109855940 1367359943 /nfs/dbraw/zinc/35/99/43/1367359943.db2.gz ALNPQSGOOXIZKL-YRXWBPOGSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](C)CC ZINC001109855940 1367359950 /nfs/dbraw/zinc/35/99/50/1367359950.db2.gz ALNPQSGOOXIZKL-YRXWBPOGSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CC ZINC001109855940 1367359957 /nfs/dbraw/zinc/35/99/57/1367359957.db2.gz ALNPQSGOOXIZKL-YRXWBPOGSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)C ZINC001109856328 1367360929 /nfs/dbraw/zinc/36/09/29/1367360929.db2.gz LSAFGFOJUZDOSO-QYZOEREBSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)C ZINC001109856328 1367360934 /nfs/dbraw/zinc/36/09/34/1367360934.db2.gz LSAFGFOJUZDOSO-QYZOEREBSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001109856328 1367360939 /nfs/dbraw/zinc/36/09/39/1367360939.db2.gz LSAFGFOJUZDOSO-QYZOEREBSA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC1 ZINC001109858146 1367363162 /nfs/dbraw/zinc/36/31/62/1367363162.db2.gz WPURVHVWUOBGRZ-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1 ZINC001109858146 1367363166 /nfs/dbraw/zinc/36/31/66/1367363166.db2.gz WPURVHVWUOBGRZ-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001109858146 1367363171 /nfs/dbraw/zinc/36/31/71/1367363171.db2.gz WPURVHVWUOBGRZ-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109868362 1367370555 /nfs/dbraw/zinc/37/05/55/1367370555.db2.gz MWOBADSPNFSJRQ-WCIQWLHISA-N 2 1 343.515 3.201 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)Cc2cc(C)cc(C)c2)C1 ZINC001190997033 1367399031 /nfs/dbraw/zinc/39/90/31/1367399031.db2.gz PTGFEJTWNUJVGJ-LJQANCHMSA-N 2 1 345.531 3.066 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001190997033 1367399033 /nfs/dbraw/zinc/39/90/33/1367399033.db2.gz PTGFEJTWNUJVGJ-LJQANCHMSA-N 2 1 345.531 3.066 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001190997033 1367399038 /nfs/dbraw/zinc/39/90/38/1367399038.db2.gz PTGFEJTWNUJVGJ-LJQANCHMSA-N 2 1 345.531 3.066 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC2(CC2)CC1 ZINC001109932319 1367410994 /nfs/dbraw/zinc/41/09/94/1367410994.db2.gz GGTDDVDHNGDSBO-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC2(CC2)CC1 ZINC001109932319 1367410999 /nfs/dbraw/zinc/41/09/99/1367410999.db2.gz GGTDDVDHNGDSBO-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC2(CC2)CC1 ZINC001109932319 1367411003 /nfs/dbraw/zinc/41/10/03/1367411003.db2.gz GGTDDVDHNGDSBO-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191080540 1367419361 /nfs/dbraw/zinc/41/93/61/1367419361.db2.gz IMWFEKMKYICOBX-WWTANLFGSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191080540 1367419362 /nfs/dbraw/zinc/41/93/62/1367419362.db2.gz IMWFEKMKYICOBX-WWTANLFGSA-N 2 1 349.563 3.386 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191080540 1367419364 /nfs/dbraw/zinc/41/93/64/1367419364.db2.gz IMWFEKMKYICOBX-WWTANLFGSA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082511 1367420877 /nfs/dbraw/zinc/42/08/77/1367420877.db2.gz ZSAWUCGMVZEZLN-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191082511 1367420878 /nfs/dbraw/zinc/42/08/78/1367420878.db2.gz ZSAWUCGMVZEZLN-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191082511 1367420880 /nfs/dbraw/zinc/42/08/80/1367420880.db2.gz ZSAWUCGMVZEZLN-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(C)C)c1ccccc1 ZINC001109968040 1367433783 /nfs/dbraw/zinc/43/37/83/1367433783.db2.gz XEPQXRJJTIZJHR-FUMNGEBKSA-N 2 1 343.515 3.057 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(C)C)c1ccccc1 ZINC001109968040 1367433786 /nfs/dbraw/zinc/43/37/86/1367433786.db2.gz XEPQXRJJTIZJHR-FUMNGEBKSA-N 2 1 343.515 3.057 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C)c1ccccc1 ZINC001109968040 1367433788 /nfs/dbraw/zinc/43/37/88/1367433788.db2.gz XEPQXRJJTIZJHR-FUMNGEBKSA-N 2 1 343.515 3.057 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C)c1ccccc1 ZINC001109968040 1367433791 /nfs/dbraw/zinc/43/37/91/1367433791.db2.gz XEPQXRJJTIZJHR-FUMNGEBKSA-N 2 1 343.515 3.057 20 0 EGADMP Cc1cccc(OC[C@@H](O)C[N@H+](CCC[NH+]2CCCCC2)C(C)C)c1 ZINC001191205187 1367446056 /nfs/dbraw/zinc/44/60/56/1367446056.db2.gz ZKOMGAVRIJMMPW-FQEVSTJZSA-N 2 1 348.531 3.321 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC2(CCC2)C1 ZINC001110002802 1367453718 /nfs/dbraw/zinc/45/37/18/1367453718.db2.gz VTMIKBZULMYYNC-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CC1CCC(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C3)CC1 ZINC001110007218 1367455835 /nfs/dbraw/zinc/45/58/35/1367455835.db2.gz MZRCKEUMCUQJPI-PBDJWPIDSA-N 2 1 349.563 3.266 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001108717461 1367553858 /nfs/dbraw/zinc/55/38/58/1367553858.db2.gz LAWITXDOHIDVAE-OHANDMKSSA-N 2 1 335.536 3.042 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001192045579 1367673907 /nfs/dbraw/zinc/67/39/07/1367673907.db2.gz GLDWKDHHUKPKLG-RTBURBONSA-N 2 1 345.531 3.239 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@@H+](C)CC2CCC(C)(C)CC2)C1 ZINC001192048205 1367674450 /nfs/dbraw/zinc/67/44/50/1367674450.db2.gz XIMLDVAKKHFFSJ-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCC(C)(C)C)C1 ZINC001192672633 1367847141 /nfs/dbraw/zinc/84/71/41/1367847141.db2.gz WDERMLBRJXQNSQ-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001192672633 1367847149 /nfs/dbraw/zinc/84/71/49/1367847149.db2.gz WDERMLBRJXQNSQ-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001192672633 1367847153 /nfs/dbraw/zinc/84/71/53/1367847153.db2.gz WDERMLBRJXQNSQ-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP CCC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192866117 1367891753 /nfs/dbraw/zinc/89/17/53/1367891753.db2.gz IMCDHIHSLDPYJW-GHOSXJJBSA-N 2 1 346.519 3.251 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192866117 1367891756 /nfs/dbraw/zinc/89/17/56/1367891756.db2.gz IMCDHIHSLDPYJW-GHOSXJJBSA-N 2 1 346.519 3.251 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CCC(C)C)C1 ZINC001192906908 1367901064 /nfs/dbraw/zinc/90/10/64/1367901064.db2.gz RLMIKKLYAQJDPK-SFHVURJKSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CCC(C)C)C1 ZINC001192906908 1367901068 /nfs/dbraw/zinc/90/10/68/1367901068.db2.gz RLMIKKLYAQJDPK-SFHVURJKSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CCC(C)C)C1 ZINC001192906908 1367901071 /nfs/dbraw/zinc/90/10/71/1367901071.db2.gz RLMIKKLYAQJDPK-SFHVURJKSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CCC(C)C)C1 ZINC001192906907 1367901570 /nfs/dbraw/zinc/90/15/70/1367901570.db2.gz RLMIKKLYAQJDPK-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CCC(C)C)C1 ZINC001192906907 1367901574 /nfs/dbraw/zinc/90/15/74/1367901574.db2.gz RLMIKKLYAQJDPK-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CCC(C)C)C1 ZINC001192906907 1367901576 /nfs/dbraw/zinc/90/15/76/1367901576.db2.gz RLMIKKLYAQJDPK-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110660552 1367903162 /nfs/dbraw/zinc/90/31/62/1367903162.db2.gz FIOQIDROPZNHST-MANSERQUSA-N 2 1 335.536 3.161 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110660552 1367903167 /nfs/dbraw/zinc/90/31/67/1367903167.db2.gz FIOQIDROPZNHST-MANSERQUSA-N 2 1 335.536 3.161 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001110660552 1367903172 /nfs/dbraw/zinc/90/31/72/1367903172.db2.gz FIOQIDROPZNHST-MANSERQUSA-N 2 1 335.536 3.161 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001193560024 1368060968 /nfs/dbraw/zinc/06/09/68/1368060968.db2.gz NYDWGPBIKAFYTR-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)C(C)C ZINC001111163994 1368173726 /nfs/dbraw/zinc/17/37/26/1368173726.db2.gz CYGJLNSFPSWVCM-ZRNYENFQSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245439 1368216380 /nfs/dbraw/zinc/21/63/80/1368216380.db2.gz AIXWLZIWIBTZCA-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194247307 1368216897 /nfs/dbraw/zinc/21/68/97/1368216897.db2.gz WHJXPQQNBSOGGI-IBGZPJMESA-N 2 1 345.531 3.475 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)[NH+]1CCCC1 ZINC001111462451 1368311407 /nfs/dbraw/zinc/31/14/07/1368311407.db2.gz XXMCUMNRTJBGET-ZRNYENFQSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463571 1368311548 /nfs/dbraw/zinc/31/15/48/1368311548.db2.gz YYUGPAKFXGSIEM-ZRNYENFQSA-N 2 1 347.547 3.185 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+](C)C(C)C)C3)c1 ZINC001111464330 1368311933 /nfs/dbraw/zinc/31/19/33/1368311933.db2.gz REXOAOIRQGQISN-NBYUQASBSA-N 2 1 343.515 3.118 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+](C)C(C)C)C3)c1 ZINC001111464330 1368311937 /nfs/dbraw/zinc/31/19/37/1368311937.db2.gz REXOAOIRQGQISN-NBYUQASBSA-N 2 1 343.515 3.118 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+](C)C(C)C)C3)c1 ZINC001111464330 1368311942 /nfs/dbraw/zinc/31/19/42/1368311942.db2.gz REXOAOIRQGQISN-NBYUQASBSA-N 2 1 343.515 3.118 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001195111446 1368380287 /nfs/dbraw/zinc/38/02/87/1368380287.db2.gz CNXJOMGADZCKNN-VAMGGRTRSA-N 2 1 329.532 3.171 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1CCCCC1)C2 ZINC001111857906 1368508472 /nfs/dbraw/zinc/50/84/72/1368508472.db2.gz DYONMXMXUASKNR-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@@H]([NH+](C)CCc2ccccc2)C1 ZINC001195902766 1368514038 /nfs/dbraw/zinc/51/40/38/1368514038.db2.gz OPXRZOOMPMMTBS-FGZHOGPDSA-N 2 1 343.559 3.498 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC001195902766 1368514043 /nfs/dbraw/zinc/51/40/43/1368514043.db2.gz OPXRZOOMPMMTBS-FGZHOGPDSA-N 2 1 343.559 3.498 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC001195902766 1368514047 /nfs/dbraw/zinc/51/40/47/1368514047.db2.gz OPXRZOOMPMMTBS-FGZHOGPDSA-N 2 1 343.559 3.498 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1CCCC1)C2 ZINC001111947587 1368570192 /nfs/dbraw/zinc/57/01/92/1368570192.db2.gz PTRYGMHVKIYHCA-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CCC)C1 ZINC001111950918 1368571469 /nfs/dbraw/zinc/57/14/69/1368571469.db2.gz JRFUHMLLEGFESK-GGVAOPBYSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111950918 1368571472 /nfs/dbraw/zinc/57/14/72/1368571472.db2.gz JRFUHMLLEGFESK-GGVAOPBYSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111950918 1368571475 /nfs/dbraw/zinc/57/14/75/1368571475.db2.gz JRFUHMLLEGFESK-GGVAOPBYSA-N 2 1 335.536 3.045 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)c2occc2CN(C)C)CC1 ZINC001196934238 1368715656 /nfs/dbraw/zinc/71/56/56/1368715656.db2.gz ALWPTSCRUUIWFY-SREVYHEPSA-N 2 1 347.503 3.236 20 0 EGADMP CCC/C=C\CC[N@@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001196934238 1368715660 /nfs/dbraw/zinc/71/56/60/1368715660.db2.gz ALWPTSCRUUIWFY-SREVYHEPSA-N 2 1 347.503 3.236 20 0 EGADMP CCCCCC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001197300417 1368782973 /nfs/dbraw/zinc/78/29/73/1368782973.db2.gz JKBPMEKHKDPRCW-UHFFFAOYSA-N 2 1 334.508 3.121 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001197300417 1368782981 /nfs/dbraw/zinc/78/29/81/1368782981.db2.gz JKBPMEKHKDPRCW-UHFFFAOYSA-N 2 1 334.508 3.121 20 0 EGADMP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001112428462 1368843263 /nfs/dbraw/zinc/84/32/63/1368843263.db2.gz IXTVBZFYLUSMEU-ZVDOUQERSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCCN(C(=O)CC[NH+](C)CC)CC1 ZINC001197692364 1368874113 /nfs/dbraw/zinc/87/41/13/1368874113.db2.gz UYBOVBVKNAMBRJ-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001197692364 1368874122 /nfs/dbraw/zinc/87/41/22/1368874122.db2.gz UYBOVBVKNAMBRJ-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001197692364 1368874126 /nfs/dbraw/zinc/87/41/26/1368874126.db2.gz UYBOVBVKNAMBRJ-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP CCCC[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197809754 1368903509 /nfs/dbraw/zinc/90/35/09/1368903509.db2.gz IFYSTIRKEJAXIK-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP CCCC[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197809754 1368903514 /nfs/dbraw/zinc/90/35/14/1368903514.db2.gz IFYSTIRKEJAXIK-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP CCCC[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001197809754 1368903517 /nfs/dbraw/zinc/90/35/17/1368903517.db2.gz IFYSTIRKEJAXIK-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP CCCC[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001197809754 1368903522 /nfs/dbraw/zinc/90/35/22/1368903522.db2.gz IFYSTIRKEJAXIK-LJQANCHMSA-N 2 1 331.504 3.014 20 0 EGADMP CCC/C=C\CC[N@@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001197842054 1368910126 /nfs/dbraw/zinc/91/01/26/1368910126.db2.gz DEGOCGPJELDYJP-SREVYHEPSA-N 2 1 344.503 3.042 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001197842054 1368910129 /nfs/dbraw/zinc/91/01/29/1368910129.db2.gz DEGOCGPJELDYJP-SREVYHEPSA-N 2 1 344.503 3.042 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[NH+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001197922412 1368925024 /nfs/dbraw/zinc/92/50/24/1368925024.db2.gz RONVCKHCZQZCTF-RTBURBONSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[N@H+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001197922412 1368925029 /nfs/dbraw/zinc/92/50/29/1368925029.db2.gz RONVCKHCZQZCTF-RTBURBONSA-N 2 1 337.552 3.079 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CCC)C2 ZINC001112568121 1368930451 /nfs/dbraw/zinc/93/04/51/1368930451.db2.gz YPUVCLBRQTUVFE-AHHPOWTJSA-N 2 1 349.563 3.293 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N2CCC[N@@H+](CCCCCF)CC2)c1 ZINC001198229825 1368984713 /nfs/dbraw/zinc/98/47/13/1368984713.db2.gz OYZDZUFXWXMPFR-UHFFFAOYSA-N 2 1 349.494 3.036 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001198244380 1368987245 /nfs/dbraw/zinc/98/72/45/1368987245.db2.gz XXHJBPKDNJUSHU-UHFFFAOYSA-N 2 1 349.563 3.367 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+](CC3CC3)CC2)CC1 ZINC001186605558 1387984335 /nfs/dbraw/zinc/98/43/35/1387984335.db2.gz PRXTXSHICAGWEI-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@H+](CC3CC3)CC2)CC1 ZINC001186605558 1387984337 /nfs/dbraw/zinc/98/43/37/1387984337.db2.gz PRXTXSHICAGWEI-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC001186605558 1387984341 /nfs/dbraw/zinc/98/43/41/1387984341.db2.gz PRXTXSHICAGWEI-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[NH+](CC2CC(C)(C)C2)CC1)C1CCCCC1 ZINC001113156577 1369233242 /nfs/dbraw/zinc/23/32/42/1369233242.db2.gz MNBILHCDXKBSEI-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCC/C=C\CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001113401618 1369400373 /nfs/dbraw/zinc/40/03/73/1369400373.db2.gz JQRTVALWEDYZOI-SFFCAUCYSA-N 2 1 335.536 3.142 20 0 EGADMP CC/C=C\CC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001113520006 1369474508 /nfs/dbraw/zinc/47/45/08/1369474508.db2.gz HLXNOLTXQINSFI-SUOMESGTSA-N 2 1 335.536 3.142 20 0 EGADMP CC/C=C\CC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001113520006 1369474510 /nfs/dbraw/zinc/47/45/10/1369474510.db2.gz HLXNOLTXQINSFI-SUOMESGTSA-N 2 1 335.536 3.142 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC001113567903 1369495821 /nfs/dbraw/zinc/49/58/21/1369495821.db2.gz NCQLWGITDPGCLZ-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001201400754 1369536567 /nfs/dbraw/zinc/53/65/67/1369536567.db2.gz TYUCRXPWGZXZPM-YJJPMGAVSA-N 2 1 349.563 3.434 20 0 EGADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CC(C)(C)C)CC2 ZINC001201434867 1369545292 /nfs/dbraw/zinc/54/52/92/1369545292.db2.gz LRAUHSAGFRDPNE-LJQANCHMSA-N 2 1 345.531 3.431 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001201503827 1369558349 /nfs/dbraw/zinc/55/83/49/1369558349.db2.gz SCOCGBLFWOSVFX-VBSBHUPXSA-N 2 1 338.536 3.013 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001186824615 1388011602 /nfs/dbraw/zinc/01/16/02/1388011602.db2.gz BXIUZMBOYXUUGM-FXAWDEMLSA-N 2 1 345.531 3.403 20 0 EGADMP CSCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201690044 1369606186 /nfs/dbraw/zinc/60/61/86/1369606186.db2.gz OVPMRSNBUMLRMI-QXAKKESOSA-N 2 1 333.545 3.367 20 0 EGADMP CSCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201690044 1369606189 /nfs/dbraw/zinc/60/61/89/1369606189.db2.gz OVPMRSNBUMLRMI-QXAKKESOSA-N 2 1 333.545 3.367 20 0 EGADMP CSCCC[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201690044 1369606192 /nfs/dbraw/zinc/60/61/92/1369606192.db2.gz OVPMRSNBUMLRMI-QXAKKESOSA-N 2 1 333.545 3.367 20 0 EGADMP CSCCC[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001201690044 1369606195 /nfs/dbraw/zinc/60/61/95/1369606195.db2.gz OVPMRSNBUMLRMI-QXAKKESOSA-N 2 1 333.545 3.367 20 0 EGADMP CCCC[NH+]1CCC2(CN(C(=O)C[NH+](C)C)c3ccc(C)cc32)CC1 ZINC001201710129 1369609224 /nfs/dbraw/zinc/60/92/24/1369609224.db2.gz JEEDUWKIWYXWLT-UHFFFAOYSA-N 2 1 343.515 3.037 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001202145017 1369701049 /nfs/dbraw/zinc/70/10/49/1369701049.db2.gz PFHJETKOJDLILM-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP Cc1ccccc1C[NH2+]C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001202526429 1369799439 /nfs/dbraw/zinc/79/94/39/1369799439.db2.gz HIZUWWUGYGEKGQ-UHFFFAOYSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](CCC4CCOCC4)C[C@H]3C2)cc1 ZINC001202638739 1369834819 /nfs/dbraw/zinc/83/48/19/1369834819.db2.gz YELAPULMIQUPBR-OYRHEFFESA-N 2 1 328.500 3.175 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](CCC4CCOCC4)C[C@H]3C2)cc1 ZINC001202638739 1369834822 /nfs/dbraw/zinc/83/48/22/1369834822.db2.gz YELAPULMIQUPBR-OYRHEFFESA-N 2 1 328.500 3.175 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](CCC4CCOCC4)C[C@H]3C2)cc1 ZINC001202638739 1369834825 /nfs/dbraw/zinc/83/48/25/1369834825.db2.gz YELAPULMIQUPBR-OYRHEFFESA-N 2 1 328.500 3.175 20 0 EGADMP Cc1ccc(C)c(NC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC001202759067 1369881768 /nfs/dbraw/zinc/88/17/68/1369881768.db2.gz OYMSCFGYCCFYCS-UHFFFAOYSA-N 2 1 339.443 3.094 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001202947594 1369933604 /nfs/dbraw/zinc/93/36/04/1369933604.db2.gz UAXFSYBIFRHMOY-WAYWQWQTSA-N 2 1 346.519 3.299 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001202947593 1369933650 /nfs/dbraw/zinc/93/36/50/1369933650.db2.gz UAXFSYBIFRHMOY-AATRIKPKSA-N 2 1 346.519 3.299 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC([NH2+]CCCCCF)CC1 ZINC001202973202 1369942668 /nfs/dbraw/zinc/94/26/68/1369942668.db2.gz BYEKSIVYOLXZEB-UHFFFAOYSA-N 2 1 343.531 3.219 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C12CCC2)C1CCC1 ZINC001203026982 1369959298 /nfs/dbraw/zinc/95/92/98/1369959298.db2.gz BGBGMBOIUJAXJO-MOPGFXCFSA-N 2 1 347.547 3.068 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203102293 1369984240 /nfs/dbraw/zinc/98/42/40/1369984240.db2.gz HQLCQFSRRCYCGK-SJORKVTESA-N 2 1 349.563 3.170 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203104685 1369984625 /nfs/dbraw/zinc/98/46/25/1369984625.db2.gz SOSLGHIGSJBPMF-ZWHYWQQASA-N 2 1 349.563 3.480 20 0 EGADMP CCCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203104035 1369984729 /nfs/dbraw/zinc/98/47/29/1369984729.db2.gz PRSWGJQUPQNMGM-ROUUACIJSA-N 2 1 349.563 3.457 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1C[C@H]([NH2+]CC2CC2)C12CCC2)C1CCCCC1 ZINC001203230328 1370033025 /nfs/dbraw/zinc/03/30/25/1370033025.db2.gz LKCPNNNITIWXIZ-RBUKOAKNSA-N 2 1 347.547 3.068 20 0 EGADMP CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001114729389 1370051520 /nfs/dbraw/zinc/05/15/20/1370051520.db2.gz QHDPVJQFSXYWLZ-ZGXWSNOMSA-N 2 1 347.547 3.020 20 0 EGADMP CCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001114729389 1370051528 /nfs/dbraw/zinc/05/15/28/1370051528.db2.gz QHDPVJQFSXYWLZ-ZGXWSNOMSA-N 2 1 347.547 3.020 20 0 EGADMP CCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001114729389 1370051532 /nfs/dbraw/zinc/05/15/32/1370051532.db2.gz QHDPVJQFSXYWLZ-ZGXWSNOMSA-N 2 1 347.547 3.020 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC([NH2+]C/C=C\Cl)CC1)c1ccccc1 ZINC001203312223 1370077424 /nfs/dbraw/zinc/07/74/24/1370077424.db2.gz BJLCYFSQCCNFAD-RYKGSNAESA-N 2 1 349.906 3.013 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]([NH2+]CCC(C)C)C12CCC2 ZINC001203490632 1370143604 /nfs/dbraw/zinc/14/36/04/1370143604.db2.gz DDKCEGNZIUHIAX-ZWKOTPCHSA-N 2 1 346.519 3.035 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203791544 1370265986 /nfs/dbraw/zinc/26/59/86/1370265986.db2.gz JRUMMWPBGOQNEW-MOPGFXCFSA-N 2 1 349.563 3.314 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203794212 1370268224 /nfs/dbraw/zinc/26/82/24/1370268224.db2.gz VSHCURZVMQQLJS-BTFXCVNISA-N 2 1 335.536 3.090 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1)c1ccccc1 ZINC001203910466 1370310668 /nfs/dbraw/zinc/31/06/68/1370310668.db2.gz KHWAUXBXSGFASJ-LJQANCHMSA-N 2 1 345.531 3.306 20 0 EGADMP COc1cc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)ccc1O ZINC001204113201 1370380540 /nfs/dbraw/zinc/38/05/40/1370380540.db2.gz WLPVSJOEHOJHTI-IYBDPMFKSA-N 2 1 344.480 3.026 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2cnccn2)cc1 ZINC001204266979 1370426907 /nfs/dbraw/zinc/42/69/07/1370426907.db2.gz CDMDEBGATDRMEE-HXUWFJFHSA-N 2 1 340.471 3.144 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC001204266981 1370427058 /nfs/dbraw/zinc/42/70/58/1370427058.db2.gz CERGXOVHDCCGAU-FQEVSTJZSA-N 2 1 339.483 3.402 20 0 EGADMP Cc1nc[nH]c1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001204593250 1370526365 /nfs/dbraw/zinc/52/63/65/1370526365.db2.gz QEOAXVNFTPWOIA-UHFFFAOYSA-N 2 1 330.501 3.268 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536741 1370533467 /nfs/dbraw/zinc/53/34/67/1370533467.db2.gz FXJNEYGACUZTJI-ZWKOTPCHSA-N 2 1 335.536 3.070 20 0 EGADMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC3CC(C)(C)C3)CCCCC2)CC[N@H+]1C ZINC001115543646 1370540077 /nfs/dbraw/zinc/54/00/77/1370540077.db2.gz UFFCRLQOHVELBT-SJLPKXTDSA-N 2 1 349.563 3.172 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC2CCCCCC2)CC1 ZINC001204799509 1370578890 /nfs/dbraw/zinc/57/88/90/1370578890.db2.gz YYVAWBUWMVXSPU-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H](F)CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579359 1370582843 /nfs/dbraw/zinc/58/28/43/1370582843.db2.gz KESGATKEGVCCGI-DLBZAZTESA-N 2 1 341.515 3.018 20 0 EGADMP Cc1ccccc1OC1CC[NH+](C[C@H]2[C@H](C)C[NH2+]CC2(F)F)CC1 ZINC001204869696 1370594094 /nfs/dbraw/zinc/59/40/94/1370594094.db2.gz GQRZCHVBONLMNS-WBVHZDCISA-N 2 1 338.442 3.329 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115596591 1370597687 /nfs/dbraw/zinc/59/76/87/1370597687.db2.gz NTVUPBHXLJXUGM-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP CCC/C=C\CC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCCCC1 ZINC001115630765 1370623988 /nfs/dbraw/zinc/62/39/88/1370623988.db2.gz YEKPLJRZOBEZOO-WAYWQWQTSA-N 2 1 346.519 3.347 20 0 EGADMP CSc1ccc(F)c(C[NH+]2CCC(C[NH3+])CC2)c1Br ZINC001205058462 1370639722 /nfs/dbraw/zinc/63/97/22/1370639722.db2.gz NJWLRRLXIXGLEO-UHFFFAOYSA-N 2 1 347.297 3.481 20 0 EGADMP [NH3+][C@@H]1CCC[N@H+](Cc2cnn(-c3cccc(C(F)(F)F)c3)c2)CC1 ZINC001205117084 1370655084 /nfs/dbraw/zinc/65/50/84/1370655084.db2.gz KLDMCKKUVBPOEA-OAHLLOKOSA-N 2 1 338.377 3.204 20 0 EGADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cnn(-c3cccc(C(F)(F)F)c3)c2)CC1 ZINC001205117084 1370655086 /nfs/dbraw/zinc/65/50/86/1370655086.db2.gz KLDMCKKUVBPOEA-OAHLLOKOSA-N 2 1 338.377 3.204 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)c(F)c2)C[C@H]1C[NH3+] ZINC001205150831 1370664387 /nfs/dbraw/zinc/66/43/87/1370664387.db2.gz LFPRJOSXCQHXNI-MAUKXSAKSA-N 2 1 328.431 3.431 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)c(F)c2)C[C@H]1C[NH3+] ZINC001205150831 1370664397 /nfs/dbraw/zinc/66/43/97/1370664397.db2.gz LFPRJOSXCQHXNI-MAUKXSAKSA-N 2 1 328.431 3.431 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CC=C(C)C)CCCCC2)C1 ZINC001115688110 1370671292 /nfs/dbraw/zinc/67/12/92/1370671292.db2.gz LNTDVOXYGUZUIR-LJQANCHMSA-N 2 1 349.563 3.483 20 0 EGADMP C[NH+](C)CCCOc1ccc(-c2cc(N)c(C(F)(F)F)c[nH+]2)cn1 ZINC001205204561 1370679195 /nfs/dbraw/zinc/67/91/95/1370679195.db2.gz LKAZIFBMYRSFEX-UHFFFAOYSA-N 2 1 340.349 3.075 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001205231005 1370688512 /nfs/dbraw/zinc/68/85/12/1370688512.db2.gz VGMMEIIVLACXCH-AWEZNQCLSA-N 2 1 336.785 3.035 20 0 EGADMP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205240883 1370692093 /nfs/dbraw/zinc/69/20/93/1370692093.db2.gz PALIXOANSYHJJA-OAQYLSRUSA-N 2 1 342.483 3.303 20 0 EGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2c(-c3ccccc3)nc3n2CCS3)CC1 ZINC001205273292 1370702487 /nfs/dbraw/zinc/70/24/87/1370702487.db2.gz JSUVKDMLYZNQAC-IBGZPJMESA-N 2 1 342.512 3.359 20 0 EGADMP C[C@]1([NH3+])CCC[N@H+](Cc2cccnc2OCc2ccccc2)CC1 ZINC001205296856 1370711403 /nfs/dbraw/zinc/71/14/03/1370711403.db2.gz VFWMVMNTCFGLNQ-FQEVSTJZSA-N 2 1 325.456 3.364 20 0 EGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccnc2OCc2ccccc2)CC1 ZINC001205296856 1370711406 /nfs/dbraw/zinc/71/14/06/1370711406.db2.gz VFWMVMNTCFGLNQ-FQEVSTJZSA-N 2 1 325.456 3.364 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205296302 1370711668 /nfs/dbraw/zinc/71/16/68/1370711668.db2.gz LKQYYXJWRJYZIG-FQEVSTJZSA-N 2 1 325.456 3.461 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001115730493 1370712844 /nfs/dbraw/zinc/71/28/44/1370712844.db2.gz LFHVFMCWPLCVMH-AEFFLSMTSA-N 2 1 349.563 3.029 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC(C[NH2+]C[C@@H](C)CC)CC1 ZINC001205339553 1370725643 /nfs/dbraw/zinc/72/56/43/1370725643.db2.gz HZDWLIZIVILGOW-IRXDYDNUSA-N 2 1 348.535 3.271 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001205340317 1370726448 /nfs/dbraw/zinc/72/64/48/1370726448.db2.gz WIYISCHKMMTFIH-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2C(C)C)CCCCC1 ZINC001115758858 1370741758 /nfs/dbraw/zinc/74/17/58/1370741758.db2.gz VGRPNVQGTCXPBZ-UHFFFAOYSA-N 2 1 348.535 3.461 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001115759770 1370743806 /nfs/dbraw/zinc/74/38/06/1370743806.db2.gz GQVLOTQVRRUZQH-LJQANCHMSA-N 2 1 349.563 3.458 20 0 EGADMP CCC/C=C/CC[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001205483798 1370769447 /nfs/dbraw/zinc/76/94/47/1370769447.db2.gz SCFMKQLWLYASDH-XJDXJNMNSA-N 2 1 349.563 3.435 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001187323102 1388093353 /nfs/dbraw/zinc/09/33/53/1388093353.db2.gz YKEMRHGBDRVZDF-YLJYHZDGSA-N 2 1 345.531 3.403 20 0 EGADMP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205519048 1370778332 /nfs/dbraw/zinc/77/83/32/1370778332.db2.gz SQXRBNNEOLMVLL-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001205526404 1370781544 /nfs/dbraw/zinc/78/15/44/1370781544.db2.gz SXYVSEMADXIRAO-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(F)cc(Br)c2)CC1 ZINC001205559844 1370791482 /nfs/dbraw/zinc/79/14/82/1370791482.db2.gz VOOQTMTZNOJIET-AWEZNQCLSA-N 2 1 333.220 3.241 20 0 EGADMP CCC/C=C\CC[NH2+]CC1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001205562084 1370792126 /nfs/dbraw/zinc/79/21/26/1370792126.db2.gz PKHBSKWCVSDCHC-KTKRTIGZSA-N 2 1 337.552 3.291 20 0 EGADMP CCn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001205563385 1370792960 /nfs/dbraw/zinc/79/29/60/1370792960.db2.gz OMDHYDJXASHPTF-LEWJYISDSA-N 2 1 338.499 3.247 20 0 EGADMP CCn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001205563385 1370792966 /nfs/dbraw/zinc/79/29/66/1370792966.db2.gz OMDHYDJXASHPTF-LEWJYISDSA-N 2 1 338.499 3.247 20 0 EGADMP COc1cc(Br)cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205579544 1370798516 /nfs/dbraw/zinc/79/85/16/1370798516.db2.gz NUFMKSZCTVSWQO-HNNXBMFYSA-N 2 1 345.256 3.111 20 0 EGADMP C[C@@H]1CC[N@@H+](CCc2ccccc2Br)CC[C@H]1C[NH3+] ZINC001205600952 1370806274 /nfs/dbraw/zinc/80/62/74/1370806274.db2.gz COCOUMVVXARKFW-HIFRSBDPSA-N 2 1 325.294 3.298 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1OCC1CC1 ZINC001205626948 1370816590 /nfs/dbraw/zinc/81/65/90/1370816590.db2.gz KVQYTPRMCUXZKZ-YJBOKZPZSA-N 2 1 332.488 3.291 20 0 EGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)cc21 ZINC001205651901 1370828466 /nfs/dbraw/zinc/82/84/66/1370828466.db2.gz LNZBQXVKJMDHOL-APWZRJJASA-N 3 1 327.516 3.495 20 0 EGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205672769 1370837217 /nfs/dbraw/zinc/83/72/17/1370837217.db2.gz LMZCPMLRYRWIKL-FQEVSTJZSA-N 2 1 329.488 3.141 20 0 EGADMP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205690724 1370843304 /nfs/dbraw/zinc/84/33/04/1370843304.db2.gz XBOFUVWIYADGLL-NRFANRHFSA-N 2 1 342.483 3.303 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccccc3Cl)nc2)C1 ZINC001205725594 1370852421 /nfs/dbraw/zinc/85/24/21/1370852421.db2.gz IZUOXDXDLKUTEP-IBGZPJMESA-N 2 1 345.874 3.078 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)C1 ZINC001205734651 1370854760 /nfs/dbraw/zinc/85/47/60/1370854760.db2.gz GHQIIIMJAZSQSH-IBGZPJMESA-N 2 1 345.874 3.078 20 0 EGADMP C[NH2+][C@H](C)CC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC001326035132 1388103272 /nfs/dbraw/zinc/10/32/72/1388103272.db2.gz FRRDUARKZJINTR-RISCZKNCSA-N 2 1 327.266 3.250 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1OC(F)F ZINC001205992074 1370932165 /nfs/dbraw/zinc/93/21/65/1370932165.db2.gz DGDBBIZKTZGYEB-JSGCOSHPSA-N 2 1 328.403 3.103 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1OCC1CC1 ZINC001206003557 1370935515 /nfs/dbraw/zinc/93/55/15/1370935515.db2.gz JRKIFXFNGPZFJG-YJBOKZPZSA-N 2 1 332.488 3.291 20 0 EGADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Cl)c1 ZINC001206013050 1370937823 /nfs/dbraw/zinc/93/78/23/1370937823.db2.gz PBVCDGSTRNIOFG-DZGCQCFKSA-N 2 1 338.879 3.324 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(OC(F)(F)F)c1 ZINC001206013986 1370939395 /nfs/dbraw/zinc/93/93/95/1370939395.db2.gz UQAISESYAAVQMJ-OLZOCXBDSA-N 2 1 346.393 3.401 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2Oc2cnccn2)CCC[C@H]1C[NH3+] ZINC001206027879 1370942062 /nfs/dbraw/zinc/94/20/62/1370942062.db2.gz XAWFDLHMMLFCSA-CVEARBPZSA-N 2 1 326.444 3.076 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccc(Cl)cn1 ZINC001116648521 1370951132 /nfs/dbraw/zinc/95/11/32/1370951132.db2.gz XHWHMLWUCLAPQO-OAHLLOKOSA-N 2 1 344.890 3.338 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(-c2ccccc2)cn1 ZINC001206209056 1370992867 /nfs/dbraw/zinc/99/28/67/1370992867.db2.gz AKUHFEXEGMSHET-ROUUACIJSA-N 2 1 329.419 3.018 20 0 EGADMP CCC/C=C\CC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001206275474 1371009801 /nfs/dbraw/zinc/00/98/01/1371009801.db2.gz SYCDDLBNIUBBTM-XFHJGTJQSA-N 2 1 335.536 3.045 20 0 EGADMP Cc1cnc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(Br)c1 ZINC001206317866 1371020055 /nfs/dbraw/zinc/02/00/55/1371020055.db2.gz KBVDYKPYOQYUNK-OAHLLOKOSA-N 2 1 326.282 3.103 20 0 EGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cnc(-c3ccccc3F)nc2)C1 ZINC001206556216 1371091935 /nfs/dbraw/zinc/09/19/35/1371091935.db2.gz ORCASOXFUDTCMI-IBGZPJMESA-N 2 1 328.435 3.234 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc3cc(Br)ccc3[nH]2)C1 ZINC001206624638 1371111648 /nfs/dbraw/zinc/11/16/48/1371111648.db2.gz XYDORJNGNOVXAJ-GFCCVEGCSA-N 2 1 336.277 3.491 20 0 EGADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(-c2ccccc2)cn1 ZINC001206805190 1371174338 /nfs/dbraw/zinc/17/43/38/1371174338.db2.gz ASIHWZSPFZKZNC-JKSUJKDBSA-N 2 1 325.456 3.316 20 0 EGADMP COc1cc(OC)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c2ccccc12 ZINC001206810810 1371176659 /nfs/dbraw/zinc/17/66/59/1371176659.db2.gz PSPOOLWZRPDOEC-LSDHHAIUSA-N 2 1 328.456 3.416 20 0 EGADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001326201363 1388126826 /nfs/dbraw/zinc/12/68/26/1388126826.db2.gz HUBFBOODMMWQDY-UHFFFAOYSA-N 2 1 328.435 3.181 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC(C)C)CC1 ZINC001206952270 1371242597 /nfs/dbraw/zinc/24/25/97/1371242597.db2.gz HNRYPEXHGFFKSO-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP COc1cncc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001206996828 1371262079 /nfs/dbraw/zinc/26/20/79/1371262079.db2.gz MSZQRORKEIWSRU-UHFFFAOYSA-N 2 1 339.483 3.434 20 0 EGADMP c1nc(CN2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n2ccccc12 ZINC001207050355 1371277946 /nfs/dbraw/zinc/27/79/46/1371277946.db2.gz ONZJHEKOYJLVLN-CTNGQTDRSA-N 2 1 346.478 3.431 20 0 EGADMP c1[nH+]c(CN2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n2ccccc12 ZINC001207050355 1371277950 /nfs/dbraw/zinc/27/79/50/1371277950.db2.gz ONZJHEKOYJLVLN-CTNGQTDRSA-N 2 1 346.478 3.431 20 0 EGADMP c1[nH+]c(CN2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n2ccccc12 ZINC001207050355 1371277952 /nfs/dbraw/zinc/27/79/52/1371277952.db2.gz ONZJHEKOYJLVLN-CTNGQTDRSA-N 2 1 346.478 3.431 20 0 EGADMP c1[nH+]c(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)n2ccccc12 ZINC001207054164 1371279126 /nfs/dbraw/zinc/27/91/26/1371279126.db2.gz HEQSBABYRNZTGZ-WOJBJXKFSA-N 2 1 346.478 3.288 20 0 EGADMP c1[nH+]c(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)n2ccccc12 ZINC001207054164 1371279131 /nfs/dbraw/zinc/27/91/31/1371279131.db2.gz HEQSBABYRNZTGZ-WOJBJXKFSA-N 2 1 346.478 3.288 20 0 EGADMP Cc1cnc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001207082130 1371287903 /nfs/dbraw/zinc/28/79/03/1371287903.db2.gz GIYZQUJGPQOUIL-PMACEKPBSA-N 2 1 336.483 3.129 20 0 EGADMP Cc1cnc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001207082130 1371287908 /nfs/dbraw/zinc/28/79/08/1371287908.db2.gz GIYZQUJGPQOUIL-PMACEKPBSA-N 2 1 336.483 3.129 20 0 EGADMP Cc1cnc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001207082130 1371287912 /nfs/dbraw/zinc/28/79/12/1371287912.db2.gz GIYZQUJGPQOUIL-PMACEKPBSA-N 2 1 336.483 3.129 20 0 EGADMP COc1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1OC(C)C ZINC001326202625 1388127077 /nfs/dbraw/zinc/12/70/77/1388127077.db2.gz TUNYJGYPJJNJDN-UHFFFAOYSA-N 2 1 332.488 3.448 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](Cc3c(F)cccc3OC(F)F)C2)CC1 ZINC001207119049 1371298794 /nfs/dbraw/zinc/29/87/94/1371298794.db2.gz WPANTUSBTRECIG-UHFFFAOYSA-N 2 1 328.378 3.345 20 0 EGADMP Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)(C)C[NH+](C)C ZINC001207283206 1371350120 /nfs/dbraw/zinc/35/01/20/1371350120.db2.gz VQTINGNPBOHTPQ-JWTNVVGKSA-N 2 1 347.551 3.466 20 0 EGADMP CC1(C)C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)[C@](C)(CO)C1 ZINC001207287293 1371351087 /nfs/dbraw/zinc/35/10/87/1371351087.db2.gz RVZZHBLYSSPDKV-NRFANRHFSA-N 2 1 330.516 3.382 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001207289131 1371352887 /nfs/dbraw/zinc/35/28/87/1371352887.db2.gz ZRLSYRUTWHLVBN-IBGZPJMESA-N 2 1 341.540 3.296 20 0 EGADMP OCC[N@H+](Cc1cccs1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207290709 1371353136 /nfs/dbraw/zinc/35/31/36/1371353136.db2.gz FFTUXOYEKJZZBJ-UHFFFAOYSA-N 2 1 344.524 3.455 20 0 EGADMP CC1(C)C[C@H](C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CCO1 ZINC001207353285 1371370303 /nfs/dbraw/zinc/37/03/03/1371370303.db2.gz FJRLXXKGBKASEB-BRWVUGGUSA-N 2 1 334.529 3.317 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@@H]4CCCOC4)CC[C@@H]3C2)cc1 ZINC001207470373 1371404568 /nfs/dbraw/zinc/40/45/68/1371404568.db2.gz UPWRATJMKHVZJV-PWRODBHTSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCOC4)CC[C@@H]3C2)cc1 ZINC001207470373 1371404571 /nfs/dbraw/zinc/40/45/71/1371404571.db2.gz UPWRATJMKHVZJV-PWRODBHTSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCOC4)CC[C@@H]3C2)cc1 ZINC001207470373 1371404576 /nfs/dbraw/zinc/40/45/76/1371404576.db2.gz UPWRATJMKHVZJV-PWRODBHTSA-N 2 1 328.500 3.257 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CCCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001207479441 1371408634 /nfs/dbraw/zinc/40/86/34/1371408634.db2.gz IVSXOQFPZPGUIZ-KRWDZBQOSA-N 2 1 339.524 3.098 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)s2)cn1 ZINC001119989951 1371444200 /nfs/dbraw/zinc/44/42/00/1371444200.db2.gz UCVZAXSVTPROAN-YQQAZPJKSA-N 2 1 344.528 3.311 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)c2cccc(C)c2)C[C@H]1C ZINC001207750288 1371493324 /nfs/dbraw/zinc/49/33/24/1371493324.db2.gz OJVSWIFVFLMVLY-ZHALLVOQSA-N 2 1 345.531 3.223 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cccc(C)c2)C[C@H]1C ZINC001207750288 1371493326 /nfs/dbraw/zinc/49/33/26/1371493326.db2.gz OJVSWIFVFLMVLY-ZHALLVOQSA-N 2 1 345.531 3.223 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2cccc(C)c2)C[C@H]1C ZINC001207750288 1371493327 /nfs/dbraw/zinc/49/33/27/1371493327.db2.gz OJVSWIFVFLMVLY-ZHALLVOQSA-N 2 1 345.531 3.223 20 0 EGADMP Cc1ccc(-c2cnn(C[N@@H+]3C[C@@H]4CC[C@H]([NH+](C)C)C[C@@H]4C3)c2)cc1 ZINC001120255245 1371515938 /nfs/dbraw/zinc/51/59/38/1371515938.db2.gz BVEVVCQPDBYEDW-ZVDOUQERSA-N 2 1 338.499 3.478 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CCC2CC2)C1 ZINC001120450587 1371581915 /nfs/dbraw/zinc/58/19/15/1371581915.db2.gz WUEPSAAYHSUVOL-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CCC2CC2)C1 ZINC001120450587 1371581922 /nfs/dbraw/zinc/58/19/22/1371581922.db2.gz WUEPSAAYHSUVOL-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CCC2CC2)C1 ZINC001120450587 1371581930 /nfs/dbraw/zinc/58/19/30/1371581930.db2.gz WUEPSAAYHSUVOL-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001208073205 1371587995 /nfs/dbraw/zinc/58/79/95/1371587995.db2.gz FEOWXRTWPWVGSE-XCLUONLBSA-N 2 1 335.536 3.044 20 0 EGADMP C[NH+](C)C[C@H](C[NH2+]C[C@H](O)c1ccccc1)c1ccc(Cl)cc1 ZINC001120512537 1371596159 /nfs/dbraw/zinc/59/61/59/1371596159.db2.gz DPPYEIMDHXZYTR-HKUYNNGSSA-N 2 1 332.875 3.308 20 0 EGADMP COC(=O)CCC[N@@H+](Cc1ccccc1)CC1(C)CC[NH+](C)CC1 ZINC001208107811 1371596517 /nfs/dbraw/zinc/59/65/17/1371596517.db2.gz KRAJXGQWQZQZQB-UHFFFAOYSA-N 2 1 332.488 3.174 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC001120559859 1371610461 /nfs/dbraw/zinc/61/04/61/1371610461.db2.gz YDPNLBVBEFZQGM-FQEVSTJZSA-N 2 1 335.451 3.264 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163117 1371613370 /nfs/dbraw/zinc/61/33/70/1371613370.db2.gz COMVHRPZMJZVSS-IKSUFZCESA-N 2 1 335.536 3.044 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C[C@H]3CCC(C)=C[C@@H]3C)CC2)C1 ZINC001208169611 1371617002 /nfs/dbraw/zinc/61/70/02/1371617002.db2.gz QTTKRKMQNMXSDN-IPMKNSEASA-N 2 1 348.531 3.328 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+](CC2(C[NH+](C)C)CCCC2)[C@H]1c1ccccc1 ZINC001208187892 1371625918 /nfs/dbraw/zinc/62/59/18/1371625918.db2.gz CVAXPBDDVQCLMX-OALUTQOASA-N 2 1 344.499 3.345 20 0 EGADMP C[NH+](C)CC1(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)CCCC1 ZINC001208186429 1371627033 /nfs/dbraw/zinc/62/70/33/1371627033.db2.gz QSVMZMXPZLHZQT-UHFFFAOYSA-N 2 1 347.522 3.455 20 0 EGADMP C[NH+](C)CC1(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)CCCC1 ZINC001208186429 1371627035 /nfs/dbraw/zinc/62/70/35/1371627035.db2.gz QSVMZMXPZLHZQT-UHFFFAOYSA-N 2 1 347.522 3.455 20 0 EGADMP C[NH+](C)CC1(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CCCC1 ZINC001208186429 1371627037 /nfs/dbraw/zinc/62/70/37/1371627037.db2.gz QSVMZMXPZLHZQT-UHFFFAOYSA-N 2 1 347.522 3.455 20 0 EGADMP CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)CC1(C[NH+](C)C)CCCC1 ZINC001208185816 1371627158 /nfs/dbraw/zinc/62/71/58/1371627158.db2.gz ILSJNTZVVQCGAY-UHFFFAOYSA-N 2 1 341.540 3.344 20 0 EGADMP COc1ccccc1O[C@@H]1CC[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208192690 1371629193 /nfs/dbraw/zinc/62/91/93/1371629193.db2.gz XDOVPAZNGWMFES-QGZVFWFLSA-N 2 1 332.488 3.270 20 0 EGADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCc3cccc(F)c3)C2)C1 ZINC001208197069 1371639602 /nfs/dbraw/zinc/63/96/02/1371639602.db2.gz MGAYWWRNNJKCHH-TZIWHRDSSA-N 2 1 346.490 3.049 20 0 EGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](CCc3cccc(F)c3)C2)C1 ZINC001208197069 1371639629 /nfs/dbraw/zinc/63/96/29/1371639629.db2.gz MGAYWWRNNJKCHH-TZIWHRDSSA-N 2 1 346.490 3.049 20 0 EGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](CCc3cccc(F)c3)C2)C1 ZINC001208197069 1371639656 /nfs/dbraw/zinc/63/96/56/1371639656.db2.gz MGAYWWRNNJKCHH-TZIWHRDSSA-N 2 1 346.490 3.049 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001208279087 1371695891 /nfs/dbraw/zinc/69/58/91/1371695891.db2.gz HLRXUDCYWIQQMS-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)c1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001208438181 1371766332 /nfs/dbraw/zinc/76/63/32/1371766332.db2.gz HVNYLYKXQDGQMM-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1)c1ccccc1 ZINC001208447017 1371768634 /nfs/dbraw/zinc/76/86/34/1371768634.db2.gz FWPRFOHTYQPNIH-MOPGFXCFSA-N 2 1 345.531 3.449 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208475857 1371782108 /nfs/dbraw/zinc/78/21/08/1371782108.db2.gz ZWEPPPYOYKFVTE-YSKLNCTFSA-N 2 1 335.536 3.044 20 0 EGADMP CC[NH+](CC)[C@@H]1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208592359 1371831787 /nfs/dbraw/zinc/83/17/87/1371831787.db2.gz TWWBQQZBXRYNIN-LEWJYISDSA-N 2 1 329.532 3.457 20 0 EGADMP CC(C)[N@H+]1CCN(C[C@@H]2CCCC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC001208593814 1371832891 /nfs/dbraw/zinc/83/28/91/1371832891.db2.gz JHQGXAGTBGEBLX-FPOVZHCZSA-N 2 1 329.532 3.456 20 0 EGADMP CC(C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C[C@@H]1C ZINC001208593814 1371832893 /nfs/dbraw/zinc/83/28/93/1371832893.db2.gz JHQGXAGTBGEBLX-FPOVZHCZSA-N 2 1 329.532 3.456 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)C1 ZINC001208606738 1371838173 /nfs/dbraw/zinc/83/81/73/1371838173.db2.gz GUCUPSPOOJEXNO-CEWLAPEOSA-N 2 1 328.500 3.367 20 0 EGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)C1 ZINC001208606738 1371838177 /nfs/dbraw/zinc/83/81/77/1371838177.db2.gz GUCUPSPOOJEXNO-CEWLAPEOSA-N 2 1 328.500 3.367 20 0 EGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)C1 ZINC001208606738 1371838187 /nfs/dbraw/zinc/83/81/87/1371838187.db2.gz GUCUPSPOOJEXNO-CEWLAPEOSA-N 2 1 328.500 3.367 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)C1 ZINC001208606741 1371838374 /nfs/dbraw/zinc/83/83/74/1371838374.db2.gz GUCUPSPOOJEXNO-TYPHKJRUSA-N 2 1 328.500 3.367 20 0 EGADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)C1 ZINC001208606741 1371838376 /nfs/dbraw/zinc/83/83/76/1371838376.db2.gz GUCUPSPOOJEXNO-TYPHKJRUSA-N 2 1 328.500 3.367 20 0 EGADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)C1 ZINC001208606741 1371838391 /nfs/dbraw/zinc/83/83/91/1371838391.db2.gz GUCUPSPOOJEXNO-TYPHKJRUSA-N 2 1 328.500 3.367 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)C1 ZINC001208612357 1371839290 /nfs/dbraw/zinc/83/92/90/1371839290.db2.gz GLYNISATTGRRMT-NJYVYQBISA-N 2 1 343.515 3.042 20 0 EGADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)C1 ZINC001208612357 1371839295 /nfs/dbraw/zinc/83/92/95/1371839295.db2.gz GLYNISATTGRRMT-NJYVYQBISA-N 2 1 343.515 3.042 20 0 EGADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)C1 ZINC001208612357 1371839298 /nfs/dbraw/zinc/83/92/98/1371839298.db2.gz GLYNISATTGRRMT-NJYVYQBISA-N 2 1 343.515 3.042 20 0 EGADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001208615824 1371842002 /nfs/dbraw/zinc/84/20/02/1371842002.db2.gz IIPXZYLBIWXCRO-BBWFWOEESA-N 2 1 339.524 3.096 20 0 EGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001208615824 1371842006 /nfs/dbraw/zinc/84/20/06/1371842006.db2.gz IIPXZYLBIWXCRO-BBWFWOEESA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001208615824 1371842012 /nfs/dbraw/zinc/84/20/12/1371842012.db2.gz IIPXZYLBIWXCRO-BBWFWOEESA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001208615824 1371842021 /nfs/dbraw/zinc/84/20/21/1371842021.db2.gz IIPXZYLBIWXCRO-BBWFWOEESA-N 2 1 339.524 3.096 20 0 EGADMP Clc1ccc(CC[N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)cc1 ZINC001208740619 1371879837 /nfs/dbraw/zinc/87/98/37/1371879837.db2.gz PZXOKXBQZCQUMY-HDICACEKSA-N 2 1 341.886 3.341 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001121193691 1371885623 /nfs/dbraw/zinc/88/56/23/1371885623.db2.gz HDWYPPBVXWHPIW-WZXTXQKWSA-N 2 1 335.536 3.068 20 0 EGADMP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001121232587 1371901670 /nfs/dbraw/zinc/90/16/70/1371901670.db2.gz GCVXMPKSQCGTCB-IPHBXJNRSA-N 2 1 349.563 3.027 20 0 EGADMP CC(C)CC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121232636 1371901804 /nfs/dbraw/zinc/90/18/04/1371901804.db2.gz HAMNSQCNUAHOGU-FCOWATRHSA-N 2 1 349.563 3.312 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC001208870913 1371926658 /nfs/dbraw/zinc/92/66/58/1371926658.db2.gz PBWSCVKIRXCGKJ-UHFFFAOYSA-N 2 1 332.488 3.070 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2 ZINC001121341169 1371943762 /nfs/dbraw/zinc/94/37/62/1371943762.db2.gz UKUYZPGTQUDPOB-UHFFFAOYSA-N 2 1 347.547 3.066 20 0 EGADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CCC[C@@]1(C)O ZINC001208931282 1371950853 /nfs/dbraw/zinc/95/08/53/1371950853.db2.gz IUXJIMBDMIUKON-HMXCVIKNSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[C@@]1(C)O ZINC001208931282 1371950854 /nfs/dbraw/zinc/95/08/54/1371950854.db2.gz IUXJIMBDMIUKON-HMXCVIKNSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[C@@]1(C)O ZINC001208931282 1371950856 /nfs/dbraw/zinc/95/08/56/1371950856.db2.gz IUXJIMBDMIUKON-HMXCVIKNSA-N 2 1 330.516 3.382 20 0 EGADMP CC[N@H+](CCn1ccnc1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208939089 1371953173 /nfs/dbraw/zinc/95/31/73/1371953173.db2.gz BRXXOYURJSTNEX-FQEVSTJZSA-N 2 1 326.488 3.117 20 0 EGADMP CC[N@@H+](CCn1ccnc1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208939089 1371953176 /nfs/dbraw/zinc/95/31/76/1371953176.db2.gz BRXXOYURJSTNEX-FQEVSTJZSA-N 2 1 326.488 3.117 20 0 EGADMP CC[NH+](CCn1ccnc1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208939089 1371953178 /nfs/dbraw/zinc/95/31/78/1371953178.db2.gz BRXXOYURJSTNEX-FQEVSTJZSA-N 2 1 326.488 3.117 20 0 EGADMP CC[NH+](CCn1ccnc1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208939089 1371953180 /nfs/dbraw/zinc/95/31/80/1371953180.db2.gz BRXXOYURJSTNEX-FQEVSTJZSA-N 2 1 326.488 3.117 20 0 EGADMP FC1CN(C2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC001208939124 1371954527 /nfs/dbraw/zinc/95/45/27/1371954527.db2.gz FQMYNAMVOIYOLA-IBGZPJMESA-N 2 1 345.506 3.017 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@@H](Oc4ccncc4)C3)C2)cc1 ZINC001208953496 1371959848 /nfs/dbraw/zinc/95/98/48/1371959848.db2.gz PXIDTPOZTDCOFH-PZJWPPBQSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@@H](Oc4ccncc4)C3)C2)cc1 ZINC001208953496 1371959852 /nfs/dbraw/zinc/95/98/52/1371959852.db2.gz PXIDTPOZTDCOFH-PZJWPPBQSA-N 2 1 337.467 3.057 20 0 EGADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CC[C@@H](Oc4ccncc4)C3)C2)cc1 ZINC001208953496 1371959854 /nfs/dbraw/zinc/95/98/54/1371959854.db2.gz PXIDTPOZTDCOFH-PZJWPPBQSA-N 2 1 337.467 3.057 20 0 EGADMP c1coc(CN2C[C@H]3C[C@@H](C2)C[N@H+](CCCc2cccnc2)C3)c1 ZINC001209174538 1372024990 /nfs/dbraw/zinc/02/49/90/1372024990.db2.gz LZGSRENSAJUCKB-KDURUIRLSA-N 2 1 325.456 3.061 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001209204505 1372037338 /nfs/dbraw/zinc/03/73/38/1372037338.db2.gz IYNWJDXAGHAIHU-RBUKOAKNSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(CC)CC)C2)C1 ZINC001209205704 1372038143 /nfs/dbraw/zinc/03/81/43/1372038143.db2.gz RGHMVVBZYOIAKQ-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209223707 1372042166 /nfs/dbraw/zinc/04/21/66/1372042166.db2.gz UEGLRIKXAKLCMZ-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001121778902 1372078798 /nfs/dbraw/zinc/07/87/98/1372078798.db2.gz DAIPKSCYAWKXFW-WAYWQWQTSA-N 2 1 347.547 3.092 20 0 EGADMP COC(=O)c1ccc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001209453721 1372110019 /nfs/dbraw/zinc/11/00/19/1372110019.db2.gz KWIOXKRXWDNVPS-IBGZPJMESA-N 2 1 330.472 3.486 20 0 EGADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001209453721 1372110022 /nfs/dbraw/zinc/11/00/22/1372110022.db2.gz KWIOXKRXWDNVPS-IBGZPJMESA-N 2 1 330.472 3.486 20 0 EGADMP CC[C@@H](C[N@@H+](C)CC1CC[NH+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001209458992 1372110934 /nfs/dbraw/zinc/11/09/34/1372110934.db2.gz SCOIWBZZLGAYTO-KRWDZBQOSA-N 2 1 341.540 3.342 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001209488864 1372119165 /nfs/dbraw/zinc/11/91/65/1372119165.db2.gz TVXXCWKWEDYATJ-YQVWRLOYSA-N 2 1 348.535 3.090 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001209488864 1372119167 /nfs/dbraw/zinc/11/91/67/1372119167.db2.gz TVXXCWKWEDYATJ-YQVWRLOYSA-N 2 1 348.535 3.090 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CCCC)C2 ZINC001121918943 1372122634 /nfs/dbraw/zinc/12/26/34/1372122634.db2.gz JVACEWIHJJFUBU-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001209565541 1372138522 /nfs/dbraw/zinc/13/85/22/1372138522.db2.gz AQZDUPVIFJZUJI-GUDVDZBRSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC1CCC(C)CC1)C2 ZINC001122022165 1372154573 /nfs/dbraw/zinc/15/45/73/1372154573.db2.gz FNELFQSPHCHEAX-UHFFFAOYSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001122041506 1372159884 /nfs/dbraw/zinc/15/98/84/1372159884.db2.gz PYADWWPQLICDNN-UHOSZYNNSA-N 2 1 335.536 3.007 20 0 EGADMP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001209733513 1372179494 /nfs/dbraw/zinc/17/94/94/1372179494.db2.gz NZMZZZKOWYKGCL-INIZCTEOSA-N 2 1 346.272 3.464 20 0 EGADMP Nc1cc[nH+]cc1C[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001209733513 1372179497 /nfs/dbraw/zinc/17/94/97/1372179497.db2.gz NZMZZZKOWYKGCL-INIZCTEOSA-N 2 1 346.272 3.464 20 0 EGADMP Cc1cccn2cc(C[N@@H+](C3CCCC3)C3CCN(C)CC3)nc12 ZINC001209742124 1372181502 /nfs/dbraw/zinc/18/15/02/1372181502.db2.gz PVMYHLKUCXIALM-UHFFFAOYSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1cccn2cc(CN(C3CCCC3)C3CC[NH+](C)CC3)nc12 ZINC001209742124 1372181505 /nfs/dbraw/zinc/18/15/05/1372181505.db2.gz PVMYHLKUCXIALM-UHFFFAOYSA-N 2 1 326.488 3.482 20 0 EGADMP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001122231767 1372207774 /nfs/dbraw/zinc/20/77/74/1372207774.db2.gz WXOAUQRRZYSQGY-BZQJJPTISA-N 2 1 349.563 3.312 20 0 EGADMP CC(C)([NH3+])CC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC001122551890 1372273455 /nfs/dbraw/zinc/27/34/55/1372273455.db2.gz AOCKDWNQSDTMKO-UHFFFAOYSA-N 2 1 349.478 3.028 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210178883 1372289326 /nfs/dbraw/zinc/28/93/26/1372289326.db2.gz DQBUATLGKBTRRE-GUCYOMCDSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001210178883 1372289333 /nfs/dbraw/zinc/28/93/33/1372289333.db2.gz DQBUATLGKBTRRE-GUCYOMCDSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001210178883 1372289339 /nfs/dbraw/zinc/28/93/39/1372289339.db2.gz DQBUATLGKBTRRE-GUCYOMCDSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1C ZINC001210528735 1372372640 /nfs/dbraw/zinc/37/26/40/1372372640.db2.gz DYUNALQUHCIOBC-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1C ZINC001210528735 1372372644 /nfs/dbraw/zinc/37/26/44/1372372644.db2.gz DYUNALQUHCIOBC-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1C ZINC001210528735 1372372647 /nfs/dbraw/zinc/37/26/47/1372372647.db2.gz DYUNALQUHCIOBC-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCC2)C1)c1ccccc1 ZINC001210642033 1372398323 /nfs/dbraw/zinc/39/83/23/1372398323.db2.gz ADIAVHZTOYLKHB-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001210797480 1372428380 /nfs/dbraw/zinc/42/83/80/1372428380.db2.gz SSDZYHABDVAVGB-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CC(C)=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001326468074 1388202985 /nfs/dbraw/zinc/20/29/85/1388202985.db2.gz JPJMWUGFRNUDMX-PXNSSMCTSA-N 2 1 343.515 3.404 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374391 1372543104 /nfs/dbraw/zinc/54/31/04/1372543104.db2.gz GCMQDNWUVBNWAD-MISYRCLQSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374391 1372543112 /nfs/dbraw/zinc/54/31/12/1372543112.db2.gz GCMQDNWUVBNWAD-MISYRCLQSA-N 2 1 345.531 3.162 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001326520145 1388227799 /nfs/dbraw/zinc/22/77/99/1388227799.db2.gz WRZNGLMQXZCEQH-DLBZAZTESA-N 2 1 348.560 3.263 20 0 EGADMP CNc1cc(Nc2cc[nH+]c(CNC(=O)OC(C)(C)C)c2)cc[nH+]1 ZINC001216334474 1373301601 /nfs/dbraw/zinc/30/16/01/1373301601.db2.gz WKWCSZKCZPGOMR-UHFFFAOYSA-N 2 1 329.404 3.287 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001128783042 1373311155 /nfs/dbraw/zinc/31/11/55/1373311155.db2.gz CVYGAJNOYWYSLZ-HXUWFJFHSA-N 2 1 343.515 3.034 20 0 EGADMP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216850280 1373351096 /nfs/dbraw/zinc/35/10/96/1373351096.db2.gz HUYMHCOUOOAUCA-MISYRCLQSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CC/C=C\c1ccccc1 ZINC001129422407 1373382110 /nfs/dbraw/zinc/38/21/10/1373382110.db2.gz IHUDIELUHDFZDG-HUQFFUELSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C)c1cccc2ccccc21 ZINC001130305806 1373488145 /nfs/dbraw/zinc/48/81/45/1373488145.db2.gz LRCUOPUPZDAIIE-UZLBHIALSA-N 2 1 339.483 3.091 20 0 EGADMP C[C@@H]1CC[NH2+][C@H](c2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)C1 ZINC001217703654 1373490499 /nfs/dbraw/zinc/49/04/99/1373490499.db2.gz WLYDDDILXGKJDJ-OIISXLGYSA-N 2 1 326.444 3.120 20 0 EGADMP C[C@@H]1CC[NH2+][C@H](c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)C1 ZINC001217703654 1373490501 /nfs/dbraw/zinc/49/05/01/1373490501.db2.gz WLYDDDILXGKJDJ-OIISXLGYSA-N 2 1 326.444 3.120 20 0 EGADMP C[C@@H]1CC[NH2+][C@H](c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)C1 ZINC001217703655 1373490735 /nfs/dbraw/zinc/49/07/35/1373490735.db2.gz WLYDDDILXGKJDJ-PVAVHDDUSA-N 2 1 326.444 3.120 20 0 EGADMP C[C@@H]1CC[NH2+][C@H](c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)C1 ZINC001217703655 1373490740 /nfs/dbraw/zinc/49/07/40/1373490740.db2.gz WLYDDDILXGKJDJ-PVAVHDDUSA-N 2 1 326.444 3.120 20 0 EGADMP C[N@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@@H]2CC[NH2+]C2)cc13 ZINC001218036405 1373544752 /nfs/dbraw/zinc/54/47/52/1373544752.db2.gz NIKBSYJITFAZCA-VURPSTOHSA-N 2 1 326.484 3.116 20 0 EGADMP C[C@H]1[NH2+]C[C@@H]1Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@H+](C)CC3 ZINC001218385363 1373604350 /nfs/dbraw/zinc/60/43/50/1373604350.db2.gz HJNHOHDYIMWNOY-WGCAESBKSA-N 2 1 326.484 3.114 20 0 EGADMP C[NH+](C)Cc1cc(O[C@H]2CC[NH2+]C(C)(C)C2)ccc1Br ZINC001218473127 1373620640 /nfs/dbraw/zinc/62/06/40/1373620640.db2.gz VDZBIFSXRBJXIR-AWEZNQCLSA-N 2 1 341.293 3.420 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)c1 ZINC001218883299 1373663922 /nfs/dbraw/zinc/66/39/22/1373663922.db2.gz GZLMWMLLOGBNCA-RDJZCZTQSA-N 2 1 344.434 3.083 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC3CC(C)C3)C[C@H]21 ZINC001221876435 1373800883 /nfs/dbraw/zinc/80/08/83/1373800883.db2.gz BJGFUWGRJNUGJK-NTFDOXNWSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC3CC(C)C3)C[C@H]21 ZINC001221876435 1373800890 /nfs/dbraw/zinc/80/08/90/1373800890.db2.gz BJGFUWGRJNUGJK-NTFDOXNWSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC3CC(C)C3)C[C@H]21 ZINC001221876435 1373800892 /nfs/dbraw/zinc/80/08/92/1373800892.db2.gz BJGFUWGRJNUGJK-NTFDOXNWSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221918520 1373803629 /nfs/dbraw/zinc/80/36/29/1373803629.db2.gz NPXRLFDDJCVEPL-HSALFYBXSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001221918520 1373803630 /nfs/dbraw/zinc/80/36/30/1373803630.db2.gz NPXRLFDDJCVEPL-HSALFYBXSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001221918520 1373803632 /nfs/dbraw/zinc/80/36/32/1373803632.db2.gz NPXRLFDDJCVEPL-HSALFYBXSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@H]([NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC001131821747 1373821936 /nfs/dbraw/zinc/82/19/36/1373821936.db2.gz FBXUZHHBCNPUIF-FQEVSTJZSA-N 2 1 345.531 3.498 20 0 EGADMP COCc1ccc(Cl)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001222261871 1373822032 /nfs/dbraw/zinc/82/20/32/1373822032.db2.gz LNKJLOCUSBHNDM-UHFFFAOYSA-N 2 1 327.815 3.488 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC3CC(C)(C)C3)[C@H]2C1 ZINC001223971808 1375050637 /nfs/dbraw/zinc/05/06/37/1375050637.db2.gz QVOAHUHDLSSPHO-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC3CC(C)(C)C3)[C@H]2C1 ZINC001223971808 1375050642 /nfs/dbraw/zinc/05/06/42/1375050642.db2.gz QVOAHUHDLSSPHO-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC3CC(C)(C)C3)[C@H]2C1 ZINC001223971808 1375050645 /nfs/dbraw/zinc/05/06/45/1375050645.db2.gz QVOAHUHDLSSPHO-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188674005 1388358320 /nfs/dbraw/zinc/35/83/20/1388358320.db2.gz WWLMGOQHBHNPEH-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)CC[C@@H]2C)cs1 ZINC001132105346 1375150678 /nfs/dbraw/zinc/15/06/78/1375150678.db2.gz FPQOFGYYFQTRIJ-YOEHRIQHSA-N 2 1 349.544 3.010 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)cc2)C1 ZINC001132154063 1375173978 /nfs/dbraw/zinc/17/39/78/1375173978.db2.gz WONXLYPNCPXWMZ-MJGOQNOKSA-N 2 1 345.531 3.194 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C)cc2)C1 ZINC001132154063 1375173975 /nfs/dbraw/zinc/17/39/75/1375173975.db2.gz WONXLYPNCPXWMZ-MJGOQNOKSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2)C1 ZINC001132154063 1375173977 /nfs/dbraw/zinc/17/39/77/1375173977.db2.gz WONXLYPNCPXWMZ-MJGOQNOKSA-N 2 1 345.531 3.194 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@H+]1CC1CC1 ZINC001132206640 1375209604 /nfs/dbraw/zinc/20/96/04/1375209604.db2.gz MLKXXCWUUBUCLT-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[NH+]1CC1CC1 ZINC001132206640 1375209606 /nfs/dbraw/zinc/20/96/06/1375209606.db2.gz MLKXXCWUUBUCLT-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[NH+]1CC1CC1 ZINC001132206640 1375209611 /nfs/dbraw/zinc/20/96/11/1375209611.db2.gz MLKXXCWUUBUCLT-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207225 1375209620 /nfs/dbraw/zinc/20/96/20/1375209620.db2.gz RJWJWKCCNLVBBS-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207225 1375209625 /nfs/dbraw/zinc/20/96/25/1375209625.db2.gz RJWJWKCCNLVBBS-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207225 1375209629 /nfs/dbraw/zinc/20/96/29/1375209629.db2.gz RJWJWKCCNLVBBS-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001226162133 1375213802 /nfs/dbraw/zinc/21/38/02/1375213802.db2.gz XABYXMLANWRFSF-RTLRUIJZSA-N 2 1 335.536 3.233 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001327004926 1388364146 /nfs/dbraw/zinc/36/41/46/1388364146.db2.gz NMXSIYLQVLNBOA-UHFFFAOYSA-N 2 1 334.533 3.017 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001226340641 1375243752 /nfs/dbraw/zinc/24/37/52/1375243752.db2.gz GGABVAVRWJMFPS-WJFTUGDTSA-N 2 1 337.552 3.170 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC1CCC(C)(C)CC1 ZINC001132273845 1375260316 /nfs/dbraw/zinc/26/03/16/1375260316.db2.gz KVCRBWMZSBBRLM-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132277457 1375260812 /nfs/dbraw/zinc/26/08/12/1375260812.db2.gz HGCXRYOUEMWDRN-IEBWSBKVSA-N 2 1 345.531 3.231 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132339313 1375317557 /nfs/dbraw/zinc/31/75/57/1375317557.db2.gz DPNYFWZTWSMKMS-IIMPKJCBSA-N 2 1 335.536 3.044 20 0 EGADMP CCc1cccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]2C)c1 ZINC001132376144 1375338380 /nfs/dbraw/zinc/33/83/80/1375338380.db2.gz KDYVNDYVBCRNTQ-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132377022 1375338811 /nfs/dbraw/zinc/33/88/11/1375338811.db2.gz SOLQWNIPJDOROA-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001132435082 1375379796 /nfs/dbraw/zinc/37/97/96/1375379796.db2.gz AXGUCSWTYIVSKI-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC(C)(C)C)C1 ZINC001132435082 1375379799 /nfs/dbraw/zinc/37/97/99/1375379799.db2.gz AXGUCSWTYIVSKI-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2ccccc2F)C1 ZINC001132435333 1375379429 /nfs/dbraw/zinc/37/94/29/1375379429.db2.gz BUHJTYCIBSRMAJ-FUHWJXTLSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2F)C1 ZINC001132435333 1375379434 /nfs/dbraw/zinc/37/94/34/1375379434.db2.gz BUHJTYCIBSRMAJ-FUHWJXTLSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2F)C1 ZINC001132435333 1375379439 /nfs/dbraw/zinc/37/94/39/1375379439.db2.gz BUHJTYCIBSRMAJ-FUHWJXTLSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CCC(C)(C)C)C1 ZINC001132435082 1375379792 /nfs/dbraw/zinc/37/97/92/1375379792.db2.gz AXGUCSWTYIVSKI-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C ZINC001227082648 1375386100 /nfs/dbraw/zinc/38/61/00/1375386100.db2.gz IOYIXGZJYZMLOQ-KURKYZTESA-N 2 1 337.552 3.314 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[N@H+]1CC1CCCC1 ZINC001132492098 1375423830 /nfs/dbraw/zinc/42/38/30/1375423830.db2.gz CEAMGIOCSZEPDH-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CCc1ccccc1C[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132521237 1375438024 /nfs/dbraw/zinc/43/80/24/1375438024.db2.gz ABRPLADUWGUCGW-YLJYHZDGSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1ccccc1C[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132521237 1375438025 /nfs/dbraw/zinc/43/80/25/1375438025.db2.gz ABRPLADUWGUCGW-YLJYHZDGSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1ccccc1C[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132521237 1375438027 /nfs/dbraw/zinc/43/80/27/1375438027.db2.gz ABRPLADUWGUCGW-YLJYHZDGSA-N 2 1 345.531 3.058 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132522773 1375439343 /nfs/dbraw/zinc/43/93/43/1375439343.db2.gz SAWABBYIZFUCLW-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001132522773 1375439346 /nfs/dbraw/zinc/43/93/46/1375439346.db2.gz SAWABBYIZFUCLW-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001132522773 1375439349 /nfs/dbraw/zinc/43/93/49/1375439349.db2.gz SAWABBYIZFUCLW-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001228064608 1375514202 /nfs/dbraw/zinc/51/42/02/1375514202.db2.gz JOZCFGQXWHEXFV-UHFFFAOYSA-N 2 1 335.536 3.188 20 0 EGADMP CCCCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001228112480 1375519073 /nfs/dbraw/zinc/51/90/73/1375519073.db2.gz GDIBVUPYSINLIL-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132936669 1375656142 /nfs/dbraw/zinc/65/61/42/1375656142.db2.gz CXKWLPBMAAUZCC-MSOLQXFVSA-N 2 1 339.568 3.371 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132976422 1375690744 /nfs/dbraw/zinc/69/07/44/1375690744.db2.gz DSNZROMSBJFPFI-BUPXIBQPSA-N 2 1 346.519 3.012 20 0 EGADMP CC(C)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133147985 1375807646 /nfs/dbraw/zinc/80/76/46/1375807646.db2.gz ZKQQOJOISCAWDM-ZWKOTPCHSA-N 2 1 348.535 3.127 20 0 EGADMP CCCCC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001133165559 1375819586 /nfs/dbraw/zinc/81/95/86/1375819586.db2.gz JGXNVQLESDTHKT-HKUYNNGSSA-N 2 1 348.535 3.236 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCC)C1 ZINC001133185585 1375829134 /nfs/dbraw/zinc/82/91/34/1375829134.db2.gz FYETWNHDKRLPPO-RBUKOAKNSA-N 2 1 339.568 3.373 20 0 EGADMP CC(C)CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001229462147 1375840672 /nfs/dbraw/zinc/84/06/72/1375840672.db2.gz JEEFKFXJVFQWHO-LJQANCHMSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCC(C)C)C1 ZINC001133263229 1375879170 /nfs/dbraw/zinc/87/91/70/1375879170.db2.gz REAXBWKWJQUYQT-MOPGFXCFSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(CC)c1 ZINC001229860271 1375906081 /nfs/dbraw/zinc/90/60/81/1375906081.db2.gz POZXNDBBZMONFH-WOJBJXKFSA-N 2 1 345.531 3.108 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001133347584 1375935794 /nfs/dbraw/zinc/93/57/94/1375935794.db2.gz XUBCGPRIOGEUKX-WARJXXDVSA-N 2 1 337.552 3.147 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC(NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001230052817 1375936932 /nfs/dbraw/zinc/93/69/32/1375936932.db2.gz LXFQDNXTNNSBKZ-INIZCTEOSA-N 2 1 346.519 3.024 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(F)cc1 ZINC001230274728 1375980700 /nfs/dbraw/zinc/98/07/00/1375980700.db2.gz IDXZGVVCBHBJSV-ATZDWAIDSA-N 2 1 349.494 3.244 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl)c1ccccc1 ZINC001230286106 1375984826 /nfs/dbraw/zinc/98/48/26/1375984826.db2.gz AQHDCVDXNRVNPT-JVCGSSHBSA-N 2 1 349.906 3.059 20 0 EGADMP CCC(CC)C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001230374467 1376009598 /nfs/dbraw/zinc/00/95/98/1376009598.db2.gz YLWLNKSHGOJBTL-FQEVSTJZSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230506691 1376044400 /nfs/dbraw/zinc/04/44/00/1376044400.db2.gz BTEADRPXYRSHBU-IFXJQAMLSA-N 2 1 336.439 3.435 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230506691 1376044406 /nfs/dbraw/zinc/04/44/06/1376044406.db2.gz BTEADRPXYRSHBU-IFXJQAMLSA-N 2 1 336.439 3.435 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230506691 1376044411 /nfs/dbraw/zinc/04/44/11/1376044411.db2.gz BTEADRPXYRSHBU-IFXJQAMLSA-N 2 1 336.439 3.435 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001230585016 1376086237 /nfs/dbraw/zinc/08/62/37/1376086237.db2.gz VVHXZJBLWTYKNG-INPAECQJSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001230585016 1376086246 /nfs/dbraw/zinc/08/62/46/1376086246.db2.gz VVHXZJBLWTYKNG-INPAECQJSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C\CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001230585016 1376086254 /nfs/dbraw/zinc/08/62/54/1376086254.db2.gz VVHXZJBLWTYKNG-INPAECQJSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001230621943 1376105374 /nfs/dbraw/zinc/10/53/74/1376105374.db2.gz JCIAJNXKNJCDLH-XQQSMPNESA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)C[N@H+]2CCC[C@@H]2C)cc1 ZINC001133819761 1376217966 /nfs/dbraw/zinc/21/79/66/1376217966.db2.gz NOWBIVZRZLFJQE-IRXDYDNUSA-N 2 1 331.504 3.061 20 0 EGADMP CC(C)Cc1ccc(C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001133908529 1376259824 /nfs/dbraw/zinc/25/98/24/1376259824.db2.gz VWXMBWCYFDZKGR-UHFFFAOYSA-N 2 1 347.547 3.069 20 0 EGADMP c1c2c[nH+]ccc2[nH]c1CN1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001232014107 1376381499 /nfs/dbraw/zinc/38/14/99/1376381499.db2.gz KFIGMFINCPCGAD-UWJYYQICSA-N 2 1 332.451 3.269 20 0 EGADMP C[N@@H+](Cc1cnc(Cl)cc1Br)CC1CC[NH+](C)CC1 ZINC001232680551 1376499970 /nfs/dbraw/zinc/49/99/70/1376499970.db2.gz FSWVOVJVTTXOBQ-UHFFFAOYSA-N 2 1 346.700 3.271 20 0 EGADMP C[N@H+](Cc1cnc(Cl)cc1Br)CC1CC[NH+](C)CC1 ZINC001232680551 1376499972 /nfs/dbraw/zinc/49/99/72/1376499972.db2.gz FSWVOVJVTTXOBQ-UHFFFAOYSA-N 2 1 346.700 3.271 20 0 EGADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc(-c4cccc(F)c4)nc3)C2)C1 ZINC001232890145 1376534721 /nfs/dbraw/zinc/53/47/21/1376534721.db2.gz PVYUKNSVYRMIKH-HXUWFJFHSA-N 2 1 325.431 3.415 20 0 EGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4cccc(F)c4)nc3)C2)C1 ZINC001232890145 1376534725 /nfs/dbraw/zinc/53/47/25/1376534725.db2.gz PVYUKNSVYRMIKH-HXUWFJFHSA-N 2 1 325.431 3.415 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4cccc(F)c4)nc3)C2)C1 ZINC001232890145 1376534730 /nfs/dbraw/zinc/53/47/30/1376534730.db2.gz PVYUKNSVYRMIKH-HXUWFJFHSA-N 2 1 325.431 3.415 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-c4cccc(F)c4)nc3)C2)C1 ZINC001232890145 1376534735 /nfs/dbraw/zinc/53/47/35/1376534735.db2.gz PVYUKNSVYRMIKH-HXUWFJFHSA-N 2 1 325.431 3.415 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4cccc(F)c4)nc3)C2)C1 ZINC001232890145 1376534737 /nfs/dbraw/zinc/53/47/37/1376534737.db2.gz PVYUKNSVYRMIKH-HXUWFJFHSA-N 2 1 325.431 3.415 20 0 EGADMP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001134607178 1376622449 /nfs/dbraw/zinc/62/24/49/1376622449.db2.gz FGOSXGYUCAULCH-MSOLQXFVSA-N 2 1 345.531 3.161 20 0 EGADMP Cc1cc(C)cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001134608402 1376623695 /nfs/dbraw/zinc/62/36/95/1376623695.db2.gz VJUUCHDHKWARJF-ZWKOTPCHSA-N 2 1 345.531 3.161 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001327229387 1388454680 /nfs/dbraw/zinc/45/46/80/1388454680.db2.gz KKFBLGYZUVZEOW-GOSISDBHSA-N 2 1 343.515 3.156 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+]CCC1CCCCC1 ZINC001134723679 1376678330 /nfs/dbraw/zinc/67/83/30/1376678330.db2.gz SDTSUBIPWQCTAS-UHFFFAOYSA-N 2 1 334.508 3.073 20 0 EGADMP CC(C)Oc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc(OC(C)C)c1 ZINC001235038124 1376836295 /nfs/dbraw/zinc/83/62/95/1376836295.db2.gz UCUIZLJHDWCGNW-FQEVSTJZSA-N 2 1 332.488 3.446 20 0 EGADMP CC(C)Oc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc(OC(C)C)c1 ZINC001235038124 1376836301 /nfs/dbraw/zinc/83/63/01/1376836301.db2.gz UCUIZLJHDWCGNW-FQEVSTJZSA-N 2 1 332.488 3.446 20 0 EGADMP FC(F)(F)c1cc(Cl)cc(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235039274 1376839651 /nfs/dbraw/zinc/83/96/51/1376839651.db2.gz XBYTYBNNNWTXHY-IUODEOHRSA-N 2 1 348.796 3.169 20 0 EGADMP FC(F)(F)c1cc(Cl)cc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235039274 1376839654 /nfs/dbraw/zinc/83/96/54/1376839654.db2.gz XBYTYBNNNWTXHY-IUODEOHRSA-N 2 1 348.796 3.169 20 0 EGADMP COc1cccc2[nH]cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c21 ZINC001235428994 1376870904 /nfs/dbraw/zinc/87/09/04/1376870904.db2.gz SJEUMFDTYZHYHJ-HOTGVXAUSA-N 2 1 327.472 3.388 20 0 EGADMP Clc1ccn2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235430400 1376871589 /nfs/dbraw/zinc/87/15/89/1376871589.db2.gz XDRRRNFKCYEFHO-CABCVRRESA-N 2 1 332.879 3.199 20 0 EGADMP Clc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c2nccn2c1 ZINC001235431162 1376871848 /nfs/dbraw/zinc/87/18/48/1376871848.db2.gz LGUBLVZJOQPDIM-LSDHHAIUSA-N 2 1 332.879 3.199 20 0 EGADMP CCOc1cc(OC)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430154 1376872090 /nfs/dbraw/zinc/87/20/90/1376872090.db2.gz FZXQVTNSNBQDJW-SJORKVTESA-N 2 1 332.488 3.306 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCCC(C)(C)C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235727661 1376886885 /nfs/dbraw/zinc/88/68/85/1376886885.db2.gz YXXRHHKIJUVPOZ-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCCC(C)(C)C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235727663 1376887237 /nfs/dbraw/zinc/88/72/37/1376887237.db2.gz YXXRHHKIJUVPOZ-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CC1([NH+]2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC[NH2+]CC1 ZINC001235814947 1376897844 /nfs/dbraw/zinc/89/78/44/1376897844.db2.gz HIFIBCCCJMJBFX-UHFFFAOYSA-N 2 1 342.314 3.253 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135102302 1376899814 /nfs/dbraw/zinc/89/98/14/1376899814.db2.gz CBKIXDLAHVORMI-QUCCMNQESA-N 2 1 343.515 3.033 20 0 EGADMP O=C(NCC[NH2+]CCC1CCCCCC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135102816 1376901590 /nfs/dbraw/zinc/90/15/90/1376901590.db2.gz OIJYYEVGMGTCAV-RBUKOAKNSA-N 2 1 335.536 3.070 20 0 EGADMP [NH3+]Cc1cccc(C[N@@H+]2CCc3c(Br)cccc3C2)c1 ZINC001235946138 1376922158 /nfs/dbraw/zinc/92/21/58/1376922158.db2.gz KLEBRGGOKFBIFL-UHFFFAOYSA-N 2 1 331.257 3.466 20 0 EGADMP [NH3+]Cc1cccc(C[N@H+]2CCc3c(Br)cccc3C2)c1 ZINC001235946138 1376922168 /nfs/dbraw/zinc/92/21/68/1376922168.db2.gz KLEBRGGOKFBIFL-UHFFFAOYSA-N 2 1 331.257 3.466 20 0 EGADMP CCC[N@@H+](Cc1cccc(Cl)c1C(=O)OCC)C[C@H]1CC[NH2+]C1 ZINC001236844117 1376967160 /nfs/dbraw/zinc/96/71/60/1376967160.db2.gz SWXMCUXLETWUTG-AWEZNQCLSA-N 2 1 338.879 3.338 20 0 EGADMP CCC[N@H+](Cc1cccc(Cl)c1C(=O)OCC)C[C@H]1CC[NH2+]C1 ZINC001236844117 1376967167 /nfs/dbraw/zinc/96/71/67/1376967167.db2.gz SWXMCUXLETWUTG-AWEZNQCLSA-N 2 1 338.879 3.338 20 0 EGADMP C[C@H]1CN(C[C@@H]2Cc3ccccc3C[NH2+]2)CC[N@H+]1C1CCCCC1 ZINC001237246099 1376978329 /nfs/dbraw/zinc/97/83/29/1376978329.db2.gz BADZCVWBKWZLTB-PXNSSMCTSA-N 2 1 327.516 3.040 20 0 EGADMP C[C@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)CC[N@H+]1C1CCCCC1 ZINC001237246102 1376978415 /nfs/dbraw/zinc/97/84/15/1376978415.db2.gz BAKBERPISBLYPH-HNNXBMFYSA-N 2 1 333.545 3.233 20 0 EGADMP Clc1cccc2c1CC[C@H]([NH2+][C@@H]1CCCC[C@@]13C[NH2+]CCO3)C2 ZINC001246157433 1377050246 /nfs/dbraw/zinc/05/02/46/1377050246.db2.gz AWVPTEZJPBSBAU-KFKAGJAMSA-N 2 1 334.891 3.088 20 0 EGADMP Cc1ccc(SC[C@H](C)[NH2+][C@H]2CCCC[C@@]23C[NH2+]CCO3)cc1 ZINC001246159187 1377050381 /nfs/dbraw/zinc/05/03/81/1377050381.db2.gz JCLSIVUDPSMGFI-YTQUADARSA-N 2 1 334.529 3.366 20 0 EGADMP CC(C)(C)OC(=O)O[C@@H]1CC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246542719 1377052282 /nfs/dbraw/zinc/05/22/82/1377052282.db2.gz XYFLRZAQJQBDBB-MRXNPFEDSA-N 2 1 338.492 3.325 20 0 EGADMP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)C[C@H](CC)[NH2+]1 ZINC001246542649 1377052483 /nfs/dbraw/zinc/05/24/83/1377052483.db2.gz WPFCHHZHVJBBKJ-FZKCQIBNSA-N 2 1 326.481 3.322 20 0 EGADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)C[C@H](CC)[NH2+]1 ZINC001246542649 1377052487 /nfs/dbraw/zinc/05/24/87/1377052487.db2.gz WPFCHHZHVJBBKJ-FZKCQIBNSA-N 2 1 326.481 3.322 20 0 EGADMP Cc1ccc(C[NH+]2CCC3(CC2)CC[NH+](C2CC[NH2+]CC2)CC3)cc1 ZINC001246717099 1377053637 /nfs/dbraw/zinc/05/36/37/1377053637.db2.gz VITORRLHAKNCGS-UHFFFAOYSA-N 3 1 341.543 3.425 20 0 EGADMP C(O[C@H]1CCC[C@@H]2C[N@H+](C3CCC4(CC[NH2+]C4)CC3)C[C@@H]21)C1CC1 ZINC001246747304 1377054371 /nfs/dbraw/zinc/05/43/71/1377054371.db2.gz URNCCWPWJSTYEE-MFRDALKKSA-N 2 1 332.532 3.436 20 0 EGADMP Fc1cccc(C[N@H+]([C@@H]2CCC[NH2+]C2)[C@H]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001246938754 1377056232 /nfs/dbraw/zinc/05/62/32/1377056232.db2.gz TWGUZZOVNLKZTJ-HBMCJLEFSA-N 3 1 345.506 3.302 20 0 EGADMP Fc1cccc(C[N@@H+]([C@@H]2CCC[NH2+]C2)[C@H]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001246938754 1377056236 /nfs/dbraw/zinc/05/62/36/1377056236.db2.gz TWGUZZOVNLKZTJ-HBMCJLEFSA-N 3 1 345.506 3.302 20 0 EGADMP Cc1cccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c1C ZINC001247909140 1377065277 /nfs/dbraw/zinc/06/52/77/1377065277.db2.gz GDQSNFLJPWLCAF-UHFFFAOYSA-N 2 1 340.471 3.285 20 0 EGADMP COc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254510420 1377105117 /nfs/dbraw/zinc/10/51/17/1377105117.db2.gz OBQFBWRIAKTFTD-VAMGGRTRSA-N 3 1 345.531 3.251 20 0 EGADMP COc1ccccc1C[NH+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254510420 1377105121 /nfs/dbraw/zinc/10/51/21/1377105121.db2.gz OBQFBWRIAKTFTD-VAMGGRTRSA-N 3 1 345.531 3.251 20 0 EGADMP COc1ccccc1C[NH+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254510420 1377105123 /nfs/dbraw/zinc/10/51/23/1377105123.db2.gz OBQFBWRIAKTFTD-VAMGGRTRSA-N 3 1 345.531 3.251 20 0 EGADMP COc1ccccc1C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCN(C)CC1 ZINC001254510420 1377105125 /nfs/dbraw/zinc/10/51/25/1377105125.db2.gz OBQFBWRIAKTFTD-VAMGGRTRSA-N 2 1 345.531 3.251 20 0 EGADMP COc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCN(C)CC1 ZINC001254510420 1377105126 /nfs/dbraw/zinc/10/51/26/1377105126.db2.gz OBQFBWRIAKTFTD-VAMGGRTRSA-N 2 1 345.531 3.251 20 0 EGADMP CCOc1ccc(NC2CC[NH+]([C@H]3CCC[N@@H+](C)CC3)CC2)cc1 ZINC001254528941 1377106601 /nfs/dbraw/zinc/10/66/01/1377106601.db2.gz AZWNPMSBPRGJDQ-IBGZPJMESA-N 2 1 331.504 3.446 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1)[NH2+]CC1=CCCCC1 ZINC001135468071 1377107606 /nfs/dbraw/zinc/10/76/06/1377107606.db2.gz LXRJCEYBYRFCDF-SJORKVTESA-N 2 1 335.536 3.092 20 0 EGADMP CC(C)CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135476664 1377110638 /nfs/dbraw/zinc/11/06/38/1377110638.db2.gz LWAQWWXEDKGXNZ-IRXDYDNUSA-N 2 1 327.557 3.273 20 0 EGADMP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477270 1377111534 /nfs/dbraw/zinc/11/15/34/1377111534.db2.gz UIDVBCFYOYITSI-SJORKVTESA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)CC[C@@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001256367840 1377111876 /nfs/dbraw/zinc/11/18/76/1377111876.db2.gz JHPQOKQDPFJFGX-HMXCVIKNSA-N 2 1 345.531 3.429 20 0 EGADMP CC(C)CC[C@@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001256367840 1377111878 /nfs/dbraw/zinc/11/18/78/1377111878.db2.gz JHPQOKQDPFJFGX-HMXCVIKNSA-N 2 1 345.531 3.429 20 0 EGADMP CC(C)CC[C@@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001256367840 1377111879 /nfs/dbraw/zinc/11/18/79/1377111879.db2.gz JHPQOKQDPFJFGX-HMXCVIKNSA-N 2 1 345.531 3.429 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC1CCCCC1 ZINC001135481237 1377113858 /nfs/dbraw/zinc/11/38/58/1377113858.db2.gz RQLBBCBFFYVLEG-SJORKVTESA-N 2 1 339.568 3.418 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]CC1CCCCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135481235 1377113957 /nfs/dbraw/zinc/11/39/57/1377113957.db2.gz RQLBBCBFFYVLEG-IAGOWNOFSA-N 2 1 339.568 3.418 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(C)C ZINC001135690530 1377184988 /nfs/dbraw/zinc/18/49/88/1377184988.db2.gz IKYUANUDOLVSDK-ZWKOTPCHSA-N 2 1 327.557 3.418 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001135861922 1377238755 /nfs/dbraw/zinc/23/87/55/1377238755.db2.gz YZEKFGJMGWDEOX-CABCVRRESA-N 2 1 347.494 3.027 20 0 EGADMP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1c(C)c(C)c(C)c(C)c1C)[NH+](C)C ZINC001266326703 1377273803 /nfs/dbraw/zinc/27/38/03/1377273803.db2.gz IDFMGGGQLFQPOE-FQEVSTJZSA-N 2 1 347.547 3.117 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135980494 1377286231 /nfs/dbraw/zinc/28/62/31/1377286231.db2.gz PCAVEQJFNWGPFG-IAGOWNOFSA-N 2 1 339.568 3.418 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC1CCC1 ZINC001135997188 1377292733 /nfs/dbraw/zinc/29/27/33/1377292733.db2.gz ZTDQOWNTIIYCBP-DLBZAZTESA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(-n3ccnc3)c(F)c2)C1 ZINC001136329713 1377378261 /nfs/dbraw/zinc/37/82/61/1377378261.db2.gz LZZLQYFTVUJQRH-AWEZNQCLSA-N 2 1 330.407 3.072 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001267563689 1377457750 /nfs/dbraw/zinc/45/77/50/1377457750.db2.gz CYYZSQXFABESCA-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CC(=O)Oc1cccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001138044055 1377670236 /nfs/dbraw/zinc/67/02/36/1377670236.db2.gz NNSQYKAZGTWWOW-OALUTQOASA-N 2 1 330.472 3.451 20 0 EGADMP CC(=O)Oc1cccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001138044055 1377670239 /nfs/dbraw/zinc/67/02/39/1377670239.db2.gz NNSQYKAZGTWWOW-OALUTQOASA-N 2 1 330.472 3.451 20 0 EGADMP CC(=O)Oc1cccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001138044055 1377670242 /nfs/dbraw/zinc/67/02/42/1377670242.db2.gz NNSQYKAZGTWWOW-OALUTQOASA-N 2 1 330.472 3.451 20 0 EGADMP CCc1cccc2c(C[N@H+](CCC[NH+](C)C)CCC(=O)OC)c[nH]c21 ZINC001138361252 1377709558 /nfs/dbraw/zinc/70/95/58/1377709558.db2.gz JZEMDZXDTVXJKX-UHFFFAOYSA-N 2 1 345.487 3.047 20 0 EGADMP CCc1cccc2c(C[N@@H+](CCC[NH+](C)C)CCC(=O)OC)c[nH]c21 ZINC001138361252 1377709559 /nfs/dbraw/zinc/70/95/59/1377709559.db2.gz JZEMDZXDTVXJKX-UHFFFAOYSA-N 2 1 345.487 3.047 20 0 EGADMP Cc1nccn1-c1ccc(CN2CCN(c3ccc(C)cn3)CC2)cc1 ZINC001138547210 1377739747 /nfs/dbraw/zinc/73/97/47/1377739747.db2.gz HSCFLJVZPUNVSF-UHFFFAOYSA-N 2 1 347.466 3.206 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H](Oc3cnccn3)C2)cc1 ZINC001138552164 1377740863 /nfs/dbraw/zinc/74/08/63/1377740863.db2.gz XYZUTEMAKQJNKA-IBGZPJMESA-N 2 1 349.438 3.014 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H](Oc3cnccn3)C2)cc1 ZINC001138552164 1377740866 /nfs/dbraw/zinc/74/08/66/1377740866.db2.gz XYZUTEMAKQJNKA-IBGZPJMESA-N 2 1 349.438 3.014 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c2c(OC)cccc12 ZINC001138752454 1377780467 /nfs/dbraw/zinc/78/04/67/1377780467.db2.gz GTJBCQANDGJINQ-OAQYLSRUSA-N 2 1 340.467 3.385 20 0 EGADMP COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c2c(OC)cccc12 ZINC001138752454 1377780468 /nfs/dbraw/zinc/78/04/68/1377780468.db2.gz GTJBCQANDGJINQ-OAQYLSRUSA-N 2 1 340.467 3.385 20 0 EGADMP COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c2c(OC)cccc12 ZINC001138752454 1377780469 /nfs/dbraw/zinc/78/04/69/1377780469.db2.gz GTJBCQANDGJINQ-OAQYLSRUSA-N 2 1 340.467 3.385 20 0 EGADMP C[C@H]1C(=O)CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C12CCCC2 ZINC001138774008 1377782275 /nfs/dbraw/zinc/78/22/75/1377782275.db2.gz WMAYKCPBDMKHHE-KRWDZBQOSA-N 2 1 344.499 3.351 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nn1C ZINC001138830004 1377793288 /nfs/dbraw/zinc/79/32/88/1377793288.db2.gz CMYJFDWROWCYLV-WOJBJXKFSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nn1C ZINC001138830004 1377793289 /nfs/dbraw/zinc/79/32/89/1377793289.db2.gz CMYJFDWROWCYLV-WOJBJXKFSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nn1C ZINC001138830004 1377793290 /nfs/dbraw/zinc/79/32/90/1377793290.db2.gz CMYJFDWROWCYLV-WOJBJXKFSA-N 2 1 338.499 3.073 20 0 EGADMP CN1CCC([N@@H+](Cc2ccccc2-n2cncn2)C2CCCC2)CC1 ZINC001139422618 1377881742 /nfs/dbraw/zinc/88/17/42/1377881742.db2.gz MJVUUYIKMPYQLT-UHFFFAOYSA-N 2 1 339.487 3.106 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccc(=O)[nH]c3)C[C@@H]21 ZINC001139467188 1377888552 /nfs/dbraw/zinc/88/85/52/1377888552.db2.gz ZUXJHOGSZBMFNU-ZJOUEHCJSA-N 2 1 337.467 3.398 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(=O)[nH]c3)C[C@@H]21 ZINC001139467188 1377888556 /nfs/dbraw/zinc/88/85/56/1377888556.db2.gz ZUXJHOGSZBMFNU-ZJOUEHCJSA-N 2 1 337.467 3.398 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(=O)[nH]c3)C[C@@H]21 ZINC001139467188 1377888563 /nfs/dbraw/zinc/88/85/63/1377888563.db2.gz ZUXJHOGSZBMFNU-ZJOUEHCJSA-N 2 1 337.467 3.398 20 0 EGADMP Cn1ncc2cc(C[N@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)ccc21 ZINC001139952677 1377982656 /nfs/dbraw/zinc/98/26/56/1377982656.db2.gz USHAXSSRNSUWLC-OALUTQOASA-N 2 1 326.488 3.412 20 0 EGADMP Cn1ncc2cc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)ccc21 ZINC001139952677 1377982657 /nfs/dbraw/zinc/98/26/57/1377982657.db2.gz USHAXSSRNSUWLC-OALUTQOASA-N 2 1 326.488 3.412 20 0 EGADMP Cn1ncc2cc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@H+]3C)ccc21 ZINC001139952677 1377982660 /nfs/dbraw/zinc/98/26/60/1377982660.db2.gz USHAXSSRNSUWLC-OALUTQOASA-N 2 1 326.488 3.412 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)CCc1noc(C(C)C)n1 ZINC001140021346 1377991380 /nfs/dbraw/zinc/99/13/80/1377991380.db2.gz KHIGYFQRKIREGU-UHFFFAOYSA-N 2 1 339.443 3.362 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)CCc1noc(C(C)C)n1 ZINC001140021346 1377991381 /nfs/dbraw/zinc/99/13/81/1377991381.db2.gz KHIGYFQRKIREGU-UHFFFAOYSA-N 2 1 339.443 3.362 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC001140525874 1378077511 /nfs/dbraw/zinc/07/75/11/1378077511.db2.gz UVFKEMABQVAQFS-UHFFFAOYSA-N 2 1 347.466 3.315 20 0 EGADMP C[C@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCC[C@]1(O)C(F)(F)F ZINC001140802400 1378141594 /nfs/dbraw/zinc/14/15/94/1378141594.db2.gz UUHYUGLPASNBGK-XHDPSFHLSA-N 2 1 327.350 3.088 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCC[C@]1(O)C(F)(F)F ZINC001140802400 1378141595 /nfs/dbraw/zinc/14/15/95/1378141595.db2.gz UUHYUGLPASNBGK-XHDPSFHLSA-N 2 1 327.350 3.088 20 0 EGADMP Cc1cccc(Cl)c1C[NH+]1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001275634238 1378148831 /nfs/dbraw/zinc/14/88/31/1378148831.db2.gz NOBOJCQSJRDDSJ-UHFFFAOYSA-N 2 1 349.950 3.498 20 0 EGADMP Cc1cccc(Cl)c1C[NH+]1CCC2(CCN(CC[NH+](C)C)C2)CC1 ZINC001275634238 1378148833 /nfs/dbraw/zinc/14/88/33/1378148833.db2.gz NOBOJCQSJRDDSJ-UHFFFAOYSA-N 2 1 349.950 3.498 20 0 EGADMP CC[NH+]1CCC(CN2CC3(C2)CC[N@H+](CCCC(F)(F)F)C3)CC1 ZINC001276492379 1378175651 /nfs/dbraw/zinc/17/56/51/1378175651.db2.gz UDXMWYWDDYSJRV-UHFFFAOYSA-N 2 1 347.469 3.069 20 0 EGADMP CC[NH+]1CCC(CN2CC3(C2)CC[N@@H+](CCCC(F)(F)F)C3)CC1 ZINC001276492379 1378175654 /nfs/dbraw/zinc/17/56/54/1378175654.db2.gz UDXMWYWDDYSJRV-UHFFFAOYSA-N 2 1 347.469 3.069 20 0 EGADMP C[N@H+]1CCC2(C1)CC[NH+](CC1(c3ccccc3)CCOCC1)CC2 ZINC001276492988 1378175723 /nfs/dbraw/zinc/17/57/23/1378175723.db2.gz FIWRBQHIPCGNNI-UHFFFAOYSA-N 2 1 328.500 3.153 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)CC1 ZINC001276492495 1378175993 /nfs/dbraw/zinc/17/59/93/1378175993.db2.gz VECZNCMKPLVDGA-NRFANRHFSA-N 2 1 344.547 3.035 20 0 EGADMP CC[NH+]1CCC(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)CC1 ZINC001276492495 1378175996 /nfs/dbraw/zinc/17/59/96/1378175996.db2.gz VECZNCMKPLVDGA-NRFANRHFSA-N 3 1 344.547 3.035 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)CC1 ZINC001276492495 1378175999 /nfs/dbraw/zinc/17/59/99/1378175999.db2.gz VECZNCMKPLVDGA-NRFANRHFSA-N 3 1 344.547 3.035 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)CC1 ZINC001276492495 1378176001 /nfs/dbraw/zinc/17/60/01/1378176001.db2.gz VECZNCMKPLVDGA-NRFANRHFSA-N 3 1 344.547 3.035 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)CC1 ZINC001276492495 1378176004 /nfs/dbraw/zinc/17/60/04/1378176004.db2.gz VECZNCMKPLVDGA-NRFANRHFSA-N 3 1 344.547 3.035 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1 ZINC001276576675 1378180232 /nfs/dbraw/zinc/18/02/32/1378180232.db2.gz LOUTZHAYJSHDGH-UHFFFAOYSA-N 3 1 333.495 3.195 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(CN2CCC3(CCC[N@H+](C)C3)CC2)c1 ZINC001276576675 1378180235 /nfs/dbraw/zinc/18/02/35/1378180235.db2.gz LOUTZHAYJSHDGH-UHFFFAOYSA-N 2 1 333.495 3.195 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(CN2CCC3(CCC[N@@H+](C)C3)CC2)c1 ZINC001276576675 1378180238 /nfs/dbraw/zinc/18/02/38/1378180238.db2.gz LOUTZHAYJSHDGH-UHFFFAOYSA-N 2 1 333.495 3.195 20 0 EGADMP Cc1noc(C)c1C[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276618105 1378181254 /nfs/dbraw/zinc/18/12/54/1378181254.db2.gz YCMMFKJKLFDKFD-UHFFFAOYSA-N 2 1 342.487 3.498 20 0 EGADMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc2sccc21 ZINC001276777411 1378187761 /nfs/dbraw/zinc/18/77/61/1378187761.db2.gz TYZDBWMAUNLWOG-ROUUACIJSA-N 2 1 329.513 3.112 20 0 EGADMP Cc1c[nH]c(=O)c(C[NH+]2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)c1 ZINC001276871840 1378190117 /nfs/dbraw/zinc/19/01/17/1378190117.db2.gz FOLIASCDJZLHJN-FQEVSTJZSA-N 2 1 329.488 3.326 20 0 EGADMP C[N@@H+](CCc1cccs1)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140974228 1378198258 /nfs/dbraw/zinc/19/82/58/1378198258.db2.gz YNXFYZUGACTIDR-UHFFFAOYSA-N 2 1 329.513 3.174 20 0 EGADMP C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@]23CC[N@@H+](CCC(C)(C)C)C3)CC1 ZINC001277254602 1378213393 /nfs/dbraw/zinc/21/33/93/1378213393.db2.gz UXVSAUZVELZLKR-GHTZIAJQSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1ccc2cc(C[NH+]3CCC4(CC(N(C)C)=[NH+]O4)CC3)ccc2n1 ZINC001141477211 1378331659 /nfs/dbraw/zinc/33/16/59/1378331659.db2.gz CPBUHTMVNUODTM-UHFFFAOYSA-N 2 1 338.455 3.173 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001280770154 1378372137 /nfs/dbraw/zinc/37/21/37/1378372137.db2.gz OACCNBZEMGEDJA-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001280770154 1378372139 /nfs/dbraw/zinc/37/21/39/1378372139.db2.gz OACCNBZEMGEDJA-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001280770154 1378372140 /nfs/dbraw/zinc/37/21/40/1378372140.db2.gz OACCNBZEMGEDJA-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)Cc1ccc([C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[NH+](C)C)cc1 ZINC001141779424 1378374836 /nfs/dbraw/zinc/37/48/36/1378374836.db2.gz DGBLLUYHLLVYBC-PMACEKPBSA-N 2 1 345.531 3.088 20 0 EGADMP CCC(CC)C[N@@H+](C)CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001280833233 1378384574 /nfs/dbraw/zinc/38/45/74/1378384574.db2.gz VOELIFCPRBJFIY-UHFFFAOYSA-N 2 1 344.503 3.473 20 0 EGADMP CC1CC[NH+](CC(=O)NC[C@@H]2CCCCC[N@H+]2CC2CCCC2)CC1 ZINC001282678500 1378552102 /nfs/dbraw/zinc/55/21/02/1378552102.db2.gz UPZUDJFEBIBPOP-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP COc1ccc(F)c(F)c1C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001143407324 1378593550 /nfs/dbraw/zinc/59/35/50/1378593550.db2.gz IWMQMMIAEKTULY-UHFFFAOYSA-N 2 1 347.409 3.416 20 0 EGADMP C[NH+](C)C1(C(=O)N2CC3(C2)CCC[N@@H+](CCCC(C)(C)C)C3)CCC1 ZINC001282965655 1378689723 /nfs/dbraw/zinc/68/97/23/1378689723.db2.gz UNZSATXWYOWZDJ-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5cc[nH]c5n4)C[C@H]3C2)cc1 ZINC001144176810 1378692966 /nfs/dbraw/zinc/69/29/66/1378692966.db2.gz LYLCEJWTOKFHCI-WOJBJXKFSA-N 2 1 346.478 3.435 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc(O)cn1)CC2 ZINC001144259885 1378706525 /nfs/dbraw/zinc/70/65/25/1378706525.db2.gz TXAOKMHUQNLJSJ-IBGZPJMESA-N 2 1 341.455 3.257 20 0 EGADMP CCN(Cc1[nH+]cn2ccccc12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001144624267 1378752133 /nfs/dbraw/zinc/75/21/33/1378752133.db2.gz BVCVUPVAJVSXDV-LJQANCHMSA-N 2 1 334.467 3.431 20 0 EGADMP CCN(Cc1[nH+]cn2ccccc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001144624267 1378752136 /nfs/dbraw/zinc/75/21/36/1378752136.db2.gz BVCVUPVAJVSXDV-LJQANCHMSA-N 2 1 334.467 3.431 20 0 EGADMP Cc1cccc(C)c1C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146594479 1378874707 /nfs/dbraw/zinc/87/47/07/1378874707.db2.gz SXYAHQQTJAQAHW-ROUUACIJSA-N 2 1 333.520 3.017 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001146711497 1378904848 /nfs/dbraw/zinc/90/48/48/1378904848.db2.gz TZWJRBGBGDTKTK-MRXNPFEDSA-N 2 1 333.520 3.093 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC001146727962 1378908283 /nfs/dbraw/zinc/90/82/83/1378908283.db2.gz SOGLFPMXXFKETQ-UHFFFAOYSA-N 2 1 345.531 3.008 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1c(C)cccc1C ZINC001147359332 1379009159 /nfs/dbraw/zinc/00/91/59/1379009159.db2.gz OTQMOTHHYMSCJY-HXUWFJFHSA-N 2 1 345.531 3.164 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH2+]CCC1CCCCC1)c1ccccc1 ZINC001147457030 1379024877 /nfs/dbraw/zinc/02/48/77/1379024877.db2.gz CJGUBJSNPIVWRJ-FQEVSTJZSA-N 2 1 345.531 3.356 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541185 1379039272 /nfs/dbraw/zinc/03/92/72/1379039272.db2.gz LKWNTAXEEDQWQQ-LIXSYLKWSA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147541185 1379039275 /nfs/dbraw/zinc/03/92/75/1379039275.db2.gz LKWNTAXEEDQWQQ-LIXSYLKWSA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147541185 1379039288 /nfs/dbraw/zinc/03/92/88/1379039288.db2.gz LKWNTAXEEDQWQQ-LIXSYLKWSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C/CC[N@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147985925 1379103382 /nfs/dbraw/zinc/10/33/82/1379103382.db2.gz LLQSUTXCIKAPDU-AATRIKPKSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC3(C2)CC[NH+](CCCC(C)(C)C)C3)CC[N@H+]1C ZINC001148147799 1379125650 /nfs/dbraw/zinc/12/56/50/1379125650.db2.gz ZPZQNUNDMWEGOA-ROUUACIJSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC3(C2)CC[N@H+](CCCC(C)(C)C)C3)CC[NH+]1C ZINC001148147799 1379125652 /nfs/dbraw/zinc/12/56/52/1379125652.db2.gz ZPZQNUNDMWEGOA-ROUUACIJSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CCCC(C)(C)C)C3)CC[NH+]1C ZINC001148147799 1379125655 /nfs/dbraw/zinc/12/56/55/1379125655.db2.gz ZPZQNUNDMWEGOA-ROUUACIJSA-N 2 1 349.563 3.077 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148315127 1379149682 /nfs/dbraw/zinc/14/96/82/1379149682.db2.gz CJWPWKDKLIMFBI-CMDGGOBGSA-N 2 1 349.563 3.245 20 0 EGADMP CCC/C=C/CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001148315127 1379149686 /nfs/dbraw/zinc/14/96/86/1379149686.db2.gz CJWPWKDKLIMFBI-CMDGGOBGSA-N 2 1 349.563 3.245 20 0 EGADMP CCC/C=C/CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001148315127 1379149691 /nfs/dbraw/zinc/14/96/91/1379149691.db2.gz CJWPWKDKLIMFBI-CMDGGOBGSA-N 2 1 349.563 3.245 20 0 EGADMP C[N@@H+](CC(=O)N1CC2(C1)CC[NH+](CCCC1CCC1)C2)CC(C)(C)C ZINC001148315501 1379150960 /nfs/dbraw/zinc/15/09/60/1379150960.db2.gz MBVUCYRLXKYQSI-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC(=O)N1CC2(C1)CC[N@H+](CCCC1CCC1)C2)CC(C)(C)C ZINC001148315501 1379150962 /nfs/dbraw/zinc/15/09/62/1379150962.db2.gz MBVUCYRLXKYQSI-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC(=O)N1CC2(C1)CC[N@@H+](CCCC1CCC1)C2)CC(C)(C)C ZINC001148315501 1379150967 /nfs/dbraw/zinc/15/09/67/1379150967.db2.gz MBVUCYRLXKYQSI-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CCC[N@H+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001148518836 1379201127 /nfs/dbraw/zinc/20/11/27/1379201127.db2.gz AEIVRJSBMDOXNF-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCC1CCCCCC1)C2 ZINC001148551501 1379209841 /nfs/dbraw/zinc/20/98/41/1379209841.db2.gz MELREMUSTXQWMT-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CCC1CCCCCC1)C2 ZINC001148551501 1379209845 /nfs/dbraw/zinc/20/98/45/1379209845.db2.gz MELREMUSTXQWMT-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CCC1CCCCCC1)C2 ZINC001148551501 1379209851 /nfs/dbraw/zinc/20/98/51/1379209851.db2.gz MELREMUSTXQWMT-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[N@H+]1CCC2(CN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001148590543 1379219915 /nfs/dbraw/zinc/21/99/15/1379219915.db2.gz HWEPDFDCUAMJLL-UHFFFAOYSA-N 2 1 337.552 3.223 20 0 EGADMP C[C@@H]1[C@H]([NH2+]CCC2CC2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001283904221 1379250185 /nfs/dbraw/zinc/25/01/85/1379250185.db2.gz DZHZAYNJQWJEDW-VQIMIIECSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001152452197 1379936452 /nfs/dbraw/zinc/93/64/52/1379936452.db2.gz WJKIZXNHHLLPHM-IBGZPJMESA-N 2 1 345.531 3.064 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(F)cc1 ZINC001153727534 1380119542 /nfs/dbraw/zinc/11/95/42/1380119542.db2.gz CILCZPXHHSQUEE-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(F)cc1 ZINC001153727534 1380119543 /nfs/dbraw/zinc/11/95/43/1380119543.db2.gz CILCZPXHHSQUEE-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(F)cc1 ZINC001153727534 1380119544 /nfs/dbraw/zinc/11/95/44/1380119544.db2.gz CILCZPXHHSQUEE-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930553 1380156990 /nfs/dbraw/zinc/15/69/90/1380156990.db2.gz POCBDTBFVDERML-MJGOQNOKSA-N 2 1 339.568 3.370 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc2ccccc2o1)[NH+](C)C ZINC001153997941 1380174317 /nfs/dbraw/zinc/17/43/17/1380174317.db2.gz FVIXGTPKBSJFPW-CRAIPNDOSA-N 2 1 345.487 3.100 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CCCCCF)C1 ZINC001154784439 1380350672 /nfs/dbraw/zinc/35/06/72/1380350672.db2.gz FUNKKHWCSOOQDO-QZTJIDSGSA-N 2 1 343.531 3.075 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCCCF)C1 ZINC001154784439 1380350673 /nfs/dbraw/zinc/35/06/73/1380350673.db2.gz FUNKKHWCSOOQDO-QZTJIDSGSA-N 2 1 343.531 3.075 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCCCF)C1 ZINC001154784439 1380350676 /nfs/dbraw/zinc/35/06/76/1380350676.db2.gz FUNKKHWCSOOQDO-QZTJIDSGSA-N 2 1 343.531 3.075 20 0 EGADMP CC[N@@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005463 1380389139 /nfs/dbraw/zinc/38/91/39/1380389139.db2.gz NMNAAZUPGVHWOL-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155249009 1380429204 /nfs/dbraw/zinc/42/92/04/1380429204.db2.gz DYPCAPXTMTYCHO-QGZVFWFLSA-N 2 1 333.520 3.031 20 0 EGADMP COc1ccc2c[nH+]c(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)cc2c1 ZINC001155384759 1380444865 /nfs/dbraw/zinc/44/48/65/1380444865.db2.gz PKVKJKXGMNOGFV-SFHVURJKSA-N 2 1 341.455 3.204 20 0 EGADMP Cc1c[nH+]c(NCc2cccnc2C2CC[NH2+]CC2)nc1NC(C)C ZINC001155995990 1380511927 /nfs/dbraw/zinc/51/19/27/1380511927.db2.gz OKLSFTONYJGIMG-UHFFFAOYSA-N 2 1 340.475 3.079 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)CC1CCC(C)CC1 ZINC001156517530 1380587004 /nfs/dbraw/zinc/58/70/04/1380587004.db2.gz ZWJGIUTVTGGPMS-JLAWEPINSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CC1CCC(C)CC1 ZINC001156517530 1380587006 /nfs/dbraw/zinc/58/70/06/1380587006.db2.gz ZWJGIUTVTGGPMS-JLAWEPINSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC(C)CC1 ZINC001156517530 1380587008 /nfs/dbraw/zinc/58/70/08/1380587008.db2.gz ZWJGIUTVTGGPMS-JLAWEPINSA-N 2 1 339.568 3.371 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001328103320 1388673983 /nfs/dbraw/zinc/67/39/83/1388673983.db2.gz SOXUQGSUZUMJSP-PKOBYXMFSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)[N@H+](C)[C@@H]1CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001157019424 1380752453 /nfs/dbraw/zinc/75/24/53/1380752453.db2.gz FOQBJJJXEIMUMH-MRXNPFEDSA-N 2 1 336.911 3.250 20 0 EGADMP CC(C)[N@@H+](C)[C@@H]1CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001157019424 1380752455 /nfs/dbraw/zinc/75/24/55/1380752455.db2.gz FOQBJJJXEIMUMH-MRXNPFEDSA-N 2 1 336.911 3.250 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109687 1380776833 /nfs/dbraw/zinc/77/68/33/1380776833.db2.gz RASZYGIVHNBKAI-BGGMYYEUSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001157109687 1380776837 /nfs/dbraw/zinc/77/68/37/1380776837.db2.gz RASZYGIVHNBKAI-BGGMYYEUSA-N 2 1 337.552 3.434 20 0 EGADMP CC[N@@H+](Cc1ccc(C2CC2)cc1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113421 1380778363 /nfs/dbraw/zinc/77/83/63/1380778363.db2.gz KLKRXWFQFNGCKR-QGZVFWFLSA-N 2 1 345.531 3.231 20 0 EGADMP CC[NH+](Cc1ccc(C2CC2)cc1)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157113421 1380778366 /nfs/dbraw/zinc/77/83/66/1380778366.db2.gz KLKRXWFQFNGCKR-QGZVFWFLSA-N 2 1 345.531 3.231 20 0 EGADMP CC[NH+](Cc1ccc(C2CC2)cc1)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157113421 1380778370 /nfs/dbraw/zinc/77/83/70/1380778370.db2.gz KLKRXWFQFNGCKR-QGZVFWFLSA-N 2 1 345.531 3.231 20 0 EGADMP CC[N@@H+](CCCCc1ccccc1)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113826 1380780421 /nfs/dbraw/zinc/78/04/21/1380780421.db2.gz PPZDSMPQOVARHT-LJQANCHMSA-N 2 1 347.547 3.176 20 0 EGADMP CC[NH+](CCCCc1ccccc1)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157113826 1380780424 /nfs/dbraw/zinc/78/04/24/1380780424.db2.gz PPZDSMPQOVARHT-LJQANCHMSA-N 2 1 347.547 3.176 20 0 EGADMP CC[NH+](CCCCc1ccccc1)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157113826 1380780429 /nfs/dbraw/zinc/78/04/29/1380780429.db2.gz PPZDSMPQOVARHT-LJQANCHMSA-N 2 1 347.547 3.176 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001157894199 1381064285 /nfs/dbraw/zinc/06/42/85/1381064285.db2.gz UXMNCJSUMIKIGN-LJQANCHMSA-N 2 1 337.552 3.316 20 0 EGADMP O=C(NCCC[NH2+]CC1CCCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158100052 1381127285 /nfs/dbraw/zinc/12/72/85/1381127285.db2.gz VWWOCAISAUSPGA-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001158480576 1381261844 /nfs/dbraw/zinc/26/18/44/1381261844.db2.gz OHHRRZMBJPSWER-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001158480576 1381261850 /nfs/dbraw/zinc/26/18/50/1381261850.db2.gz OHHRRZMBJPSWER-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001158480576 1381261854 /nfs/dbraw/zinc/26/18/54/1381261854.db2.gz OHHRRZMBJPSWER-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CCCC(C)C ZINC001158781383 1381396008 /nfs/dbraw/zinc/39/60/08/1381396008.db2.gz PISTWPXLKFVZHV-LJQANCHMSA-N 2 1 339.568 3.467 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC(C)C ZINC001158781383 1381396023 /nfs/dbraw/zinc/39/60/23/1381396023.db2.gz PISTWPXLKFVZHV-LJQANCHMSA-N 2 1 339.568 3.467 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC(C)C ZINC001158781383 1381396027 /nfs/dbraw/zinc/39/60/27/1381396027.db2.gz PISTWPXLKFVZHV-LJQANCHMSA-N 2 1 339.568 3.467 20 0 EGADMP C[N@@H+](CCC1CC1)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001158872019 1381444889 /nfs/dbraw/zinc/44/48/89/1381444889.db2.gz AVDZGPDTXSDQGV-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@@H](C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)[NH+](CC)CC ZINC001158958620 1381486365 /nfs/dbraw/zinc/48/63/65/1381486365.db2.gz WRFKPSYCFVPNIS-IBGZPJMESA-N 2 1 345.531 3.278 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCC(C)(C)C ZINC001328361428 1388729653 /nfs/dbraw/zinc/72/96/53/1388729653.db2.gz IHGVPVJGJVAUEG-IRXDYDNUSA-N 2 1 325.541 3.027 20 0 EGADMP [NH3+][C@H](CCc1nc([C@@H]([NH3+])c2ccccc2)no1)CC1CCCCC1 ZINC001328378921 1388734016 /nfs/dbraw/zinc/73/40/16/1388734016.db2.gz HIDIGNGAVCTDCO-AEFFLSMTSA-N 2 1 328.460 3.348 20 0 EGADMP Cc1[nH+]c2ccc(Br)cn2c1NC=CC1CC[NH2+]CC1 ZINC001159372319 1381780002 /nfs/dbraw/zinc/78/00/02/1381780002.db2.gz UWGNAGRPPZYKJP-RMKNXTFCSA-N 2 1 335.249 3.330 20 0 EGADMP [NH3+]Cc1cnccc1Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001159510813 1381813307 /nfs/dbraw/zinc/81/33/07/1381813307.db2.gz RZMQMJKQYBNMJT-UHFFFAOYSA-N 2 1 330.435 3.222 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001159908750 1381934486 /nfs/dbraw/zinc/93/44/86/1381934486.db2.gz JVELLMUQWHRZQN-LPHOPBHVSA-N 2 1 349.494 3.246 20 0 EGADMP [NH3+]C1CCN(c2ccc(F)cc2Nc2cc[nH+]c3ccccc23)CC1 ZINC001160080261 1381990741 /nfs/dbraw/zinc/99/07/41/1381990741.db2.gz YINMVPDNHIISAB-UHFFFAOYSA-N 2 1 336.414 3.467 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001160119473 1382003094 /nfs/dbraw/zinc/00/30/94/1382003094.db2.gz BVJKCIGVOTWXRM-IBGZPJMESA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001160119473 1382003098 /nfs/dbraw/zinc/00/30/98/1382003098.db2.gz BVJKCIGVOTWXRM-IBGZPJMESA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001160119473 1382003100 /nfs/dbraw/zinc/00/31/00/1382003100.db2.gz BVJKCIGVOTWXRM-IBGZPJMESA-N 2 1 349.563 3.434 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccccc1O[C@H]1CCC[NH2+]C1 ZINC001160234235 1382042441 /nfs/dbraw/zinc/04/24/41/1382042441.db2.gz VGHAQSWZQPWGGI-HNNXBMFYSA-N 2 1 326.444 3.330 20 0 EGADMP FC(F)(F)c1c[nH+]ccc1Nc1ccccc1O[C@@H]1CCC[NH2+]C1 ZINC001160235895 1382042829 /nfs/dbraw/zinc/04/28/29/1382042829.db2.gz XTRSJSXPFXLXRW-GFCCVEGCSA-N 2 1 337.345 3.397 20 0 EGADMP Nc1ccc2[nH+]c(-c3ccc(F)cc3)cc(NC3=CCC[NH2+]C3)c2c1 ZINC001160359692 1382082601 /nfs/dbraw/zinc/08/26/01/1382082601.db2.gz AVALQRFQUZHSIL-UHFFFAOYSA-N 2 1 334.398 3.334 20 0 EGADMP C[N@@H+](CC(=O)NCCC1=CC[NH+](CC2CC(C)(C)C2)CC1)C1CCC1 ZINC001160386091 1382090287 /nfs/dbraw/zinc/09/02/87/1382090287.db2.gz HEGSASOIIFVZOF-UHFFFAOYSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+](CC(=O)NCCC1=CC[N@H+](CC2CC(C)(C)C2)CC1)C1CCC1 ZINC001160386091 1382090293 /nfs/dbraw/zinc/09/02/93/1382090293.db2.gz HEGSASOIIFVZOF-UHFFFAOYSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+](CC(=O)NCCC1=CC[N@@H+](CC2CC(C)(C)C2)CC1)C1CCC1 ZINC001160386091 1382090294 /nfs/dbraw/zinc/09/02/94/1382090294.db2.gz HEGSASOIIFVZOF-UHFFFAOYSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001160499640 1382124060 /nfs/dbraw/zinc/12/40/60/1382124060.db2.gz FVDYYEHCSJNIMW-IBGZPJMESA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001160499640 1382124063 /nfs/dbraw/zinc/12/40/63/1382124063.db2.gz FVDYYEHCSJNIMW-IBGZPJMESA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001160499640 1382124068 /nfs/dbraw/zinc/12/40/68/1382124068.db2.gz FVDYYEHCSJNIMW-IBGZPJMESA-N 2 1 347.547 3.045 20 0 EGADMP COc1cc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)[nH+]c2ccccc21 ZINC001160741973 1382184151 /nfs/dbraw/zinc/18/41/51/1382184151.db2.gz ULYAPDGFOASMCQ-WCQYABFASA-N 2 1 325.334 3.196 20 0 EGADMP O=C(NCCC[NH2+]CCCC1CCCC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160870504 1382219740 /nfs/dbraw/zinc/21/97/40/1382219740.db2.gz YJBZSOKXZUNVPK-MOPGFXCFSA-N 2 1 335.536 3.070 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001161021480 1382275408 /nfs/dbraw/zinc/27/54/08/1382275408.db2.gz PSGOSNMOCGSOSX-UHFFFAOYSA-N 2 1 347.503 3.283 20 0 EGADMP CC(C)(C)[C@@H]([NH3+])C(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001161054521 1382284556 /nfs/dbraw/zinc/28/45/56/1382284556.db2.gz CAYAVJUTVVBGOD-OALUTQOASA-N 2 1 343.515 3.015 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001161205057 1382339276 /nfs/dbraw/zinc/33/92/76/1382339276.db2.gz BOEXKVYWBGJIQY-SFHVURJKSA-N 2 1 335.536 3.189 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001161205057 1382339281 /nfs/dbraw/zinc/33/92/81/1382339281.db2.gz BOEXKVYWBGJIQY-SFHVURJKSA-N 2 1 335.536 3.189 20 0 EGADMP CC[C@H](C(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1)[NH+](CC)CC ZINC001161213897 1382344659 /nfs/dbraw/zinc/34/46/59/1382344659.db2.gz NXAYMVISCRAOHJ-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCC[N@@H+](C)CCC(=O)N(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001161259107 1382356289 /nfs/dbraw/zinc/35/62/89/1382356289.db2.gz VZTHNWAKGKKFJH-UHFFFAOYSA-N 2 1 325.541 3.125 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383271 1382392127 /nfs/dbraw/zinc/39/21/27/1382392127.db2.gz OSSDGVSCCKXRFF-MOPGFXCFSA-N 2 1 349.563 3.435 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC1=CC[NH+](CC2CC2)CC1 ZINC001161496761 1382423168 /nfs/dbraw/zinc/42/31/68/1382423168.db2.gz FBMGGHVFZXRLBC-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NCCC1=CC[N@H+](CC2CC2)CC1 ZINC001161496761 1382423170 /nfs/dbraw/zinc/42/31/70/1382423170.db2.gz FBMGGHVFZXRLBC-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NCCC1=CC[N@@H+](CC2CC2)CC1 ZINC001161496761 1382423172 /nfs/dbraw/zinc/42/31/72/1382423172.db2.gz FBMGGHVFZXRLBC-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]Cc1ccccc1F ZINC001161518934 1382429918 /nfs/dbraw/zinc/42/99/18/1382429918.db2.gz UQTWZKWTLYWQNN-UHFFFAOYSA-N 2 1 349.494 3.075 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001161645163 1382468280 /nfs/dbraw/zinc/46/82/80/1382468280.db2.gz ZQUKWIOBELKCPD-KRWDZBQOSA-N 2 1 325.541 3.029 20 0 EGADMP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C)c1ccccc1 ZINC001161643913 1382468675 /nfs/dbraw/zinc/46/86/75/1382468675.db2.gz DPCANDXNKRMDHY-WOJBJXKFSA-N 2 1 345.531 3.354 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CC(C)C)CC1 ZINC001161678338 1382477851 /nfs/dbraw/zinc/47/78/51/1382477851.db2.gz FTGDQPLOMPTOLP-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](CC(C)C)CC1 ZINC001161678338 1382477855 /nfs/dbraw/zinc/47/78/55/1382477855.db2.gz FTGDQPLOMPTOLP-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC(C)C)CC1 ZINC001161678338 1382477858 /nfs/dbraw/zinc/47/78/58/1382477858.db2.gz FTGDQPLOMPTOLP-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161734101 1382491214 /nfs/dbraw/zinc/49/12/14/1382491214.db2.gz ROQDHYFVKQAWDG-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](CC(CC)CC)CC1 ZINC001161750094 1382495137 /nfs/dbraw/zinc/49/51/37/1382495137.db2.gz WQKTVQAJHXRVKH-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CCC[NH+](C)CCC(=O)NCCC1=CC[N@H+](CC(CC)CC)CC1 ZINC001161750094 1382495139 /nfs/dbraw/zinc/49/51/39/1382495139.db2.gz WQKTVQAJHXRVKH-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CCC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CC(CC)CC)CC1 ZINC001161750094 1382495147 /nfs/dbraw/zinc/49/51/47/1382495147.db2.gz WQKTVQAJHXRVKH-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CCCC(C)C)CC1 ZINC001161952284 1382567657 /nfs/dbraw/zinc/56/76/57/1382567657.db2.gz FPGBZLAGLXJMOC-FQEVSTJZSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC1=CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001161952663 1382568882 /nfs/dbraw/zinc/56/88/82/1382568882.db2.gz IDJTYZRAFSTSTB-SFHVURJKSA-N 2 1 343.515 3.226 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ccccc2)CC1 ZINC001161952663 1382568888 /nfs/dbraw/zinc/56/88/88/1382568888.db2.gz IDJTYZRAFSTSTB-SFHVURJKSA-N 2 1 343.515 3.226 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCCC1=CC[N@H+]([C@@H](C)c2ccccc2)CC1 ZINC001161952663 1382568892 /nfs/dbraw/zinc/56/88/92/1382568892.db2.gz IDJTYZRAFSTSTB-SFHVURJKSA-N 2 1 343.515 3.226 20 0 EGADMP CC(C)[C@@H](C(=O)NCCC1=CC[N@@H+](CC2CC2)CC1)[NH+]1CCCCC1 ZINC001161953326 1382569124 /nfs/dbraw/zinc/56/91/24/1382569124.db2.gz SOARZQOLYHJCNC-FQEVSTJZSA-N 2 1 347.547 3.045 20 0 EGADMP COc1cccc(C2(Nc3nc(C)[nH+]c(C)c3C)CC[NH2+]CC2)c1 ZINC001161997562 1382594197 /nfs/dbraw/zinc/59/41/97/1382594197.db2.gz NYAQKJLYZUUDKM-UHFFFAOYSA-N 2 1 326.444 3.101 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001328659335 1388799865 /nfs/dbraw/zinc/79/98/65/1388799865.db2.gz GLTNLZVDRNUHBV-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1nc(N2CCCC(C)(C)C2)cc[nH+]1 ZINC001162460738 1382763113 /nfs/dbraw/zinc/76/31/13/1382763113.db2.gz JYEFDSZNVJUBDC-JKSUJKDBSA-N 2 1 331.508 3.151 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(N2C[C@H]([NH3+])Cc3ccccc32)nc1 ZINC001162844845 1382893028 /nfs/dbraw/zinc/89/30/28/1382893028.db2.gz OLUGZQHRQFANPP-VQIMIIECSA-N 2 1 336.483 3.478 20 0 EGADMP C[N@@H+](CCC(=O)NCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C1CCCCC1 ZINC001163275125 1383010912 /nfs/dbraw/zinc/01/09/12/1383010912.db2.gz QTDMQQOIGYKMLX-CEXWTWQISA-N 2 1 349.563 3.173 20 0 EGADMP CCOC(=O)c1c[nH]c2cc(N[C@@H]3CC[N@H+](C(C)C)C[C@@H]3C)[nH+]cc21 ZINC001163366654 1383033153 /nfs/dbraw/zinc/03/31/53/1383033153.db2.gz WAAVFGGLPHZILL-XJKSGUPXSA-N 2 1 344.459 3.270 20 0 EGADMP c1cn(-c2cc[nH+]c(-n3c4ccccc4nc3C3CC[NH2+]CC3)c2)cn1 ZINC001163763531 1383119570 /nfs/dbraw/zinc/11/95/70/1383119570.db2.gz JBKNQYPQQPRFLV-UHFFFAOYSA-N 2 1 344.422 3.073 20 0 EGADMP Cc1[nH+]ccn1-c1cncc(-n2c(C[NH3+])cc3cc(Cl)ccc32)n1 ZINC001163898349 1383133814 /nfs/dbraw/zinc/13/38/14/1383133814.db2.gz WEJVZAIPPORGON-UHFFFAOYSA-N 2 1 338.802 3.027 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(-n2c(C[NH3+])cc3cc(Cl)ccc32)nn1 ZINC001163897099 1383133853 /nfs/dbraw/zinc/13/38/53/1383133853.db2.gz JEYSMWSAKWUWBZ-UHFFFAOYSA-N 2 1 338.802 3.027 20 0 EGADMP CCOC(=O)Cc1cc[nH+]c(NCc2cccc(C[NH+](C)C)c2)c1C ZINC001163993148 1383144030 /nfs/dbraw/zinc/14/40/30/1383144030.db2.gz OIETZYOYSRPFRY-UHFFFAOYSA-N 2 1 341.455 3.169 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]Cc2cc(C)ccc2C)C1 ZINC001164449930 1383188232 /nfs/dbraw/zinc/18/82/32/1383188232.db2.gz UJNJFCQRBOBUMI-IBGZPJMESA-N 2 1 345.531 3.021 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001164455507 1383188440 /nfs/dbraw/zinc/18/84/40/1383188440.db2.gz CLBFGWCAKLQMSY-WMZOPIPTSA-N 2 1 349.494 3.105 20 0 EGADMP O=C(NCCC[NH2+]CC1=CCCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164491301 1383192846 /nfs/dbraw/zinc/19/28/46/1383192846.db2.gz FPVGXCZEDOODDJ-HXUWFJFHSA-N 2 1 347.547 3.380 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164515157 1383195297 /nfs/dbraw/zinc/19/52/97/1383195297.db2.gz WNXQRVMDCLDRPK-QWNKOJSDSA-N 2 1 335.536 3.092 20 0 EGADMP CCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001164541363 1383197748 /nfs/dbraw/zinc/19/77/48/1383197748.db2.gz ZGNRGJYNVOVJEG-SFHVURJKSA-N 2 1 349.563 3.317 20 0 EGADMP CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001328750277 1388841510 /nfs/dbraw/zinc/84/15/10/1388841510.db2.gz RADMZOUIFWSHKV-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)(C)N(c1ccc2c([nH+]1)CCC2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165668901 1383321540 /nfs/dbraw/zinc/32/15/40/1383321540.db2.gz GWHRFGWGDMAHKN-MRXNPFEDSA-N 2 1 329.488 3.086 20 0 EGADMP C[C@H]([NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC001165776304 1383343655 /nfs/dbraw/zinc/34/36/55/1383343655.db2.gz HOHUUZWLGKBPEH-HKUYNNGSSA-N 2 1 343.515 3.108 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)Cc1c(C)cccc1C ZINC001328779940 1388856726 /nfs/dbraw/zinc/85/67/26/1388856726.db2.gz JAQHDHOZFTYTDX-IBGZPJMESA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1c(C)cccc1C ZINC001328779940 1388856730 /nfs/dbraw/zinc/85/67/30/1388856730.db2.gz JAQHDHOZFTYTDX-IBGZPJMESA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1c(C)cccc1C ZINC001328779940 1388856734 /nfs/dbraw/zinc/85/67/34/1388856734.db2.gz JAQHDHOZFTYTDX-IBGZPJMESA-N 2 1 345.531 3.068 20 0 EGADMP C[C@@H]([NH2+]CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC001166686696 1383460707 /nfs/dbraw/zinc/46/07/07/1383460707.db2.gz DITJKBBJCQNAJA-UZLBHIALSA-N 2 1 349.494 3.056 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1)c1ccc(F)cc1 ZINC001166736974 1383468710 /nfs/dbraw/zinc/46/87/10/1383468710.db2.gz XNAZUCVNTRBIOY-SFHVURJKSA-N 2 1 349.494 3.105 20 0 EGADMP C[N@@H+](CC(=O)NCCC[NH2+]CC/C=C\c1ccccc1)CC(C)(C)C ZINC001166744243 1383469862 /nfs/dbraw/zinc/46/98/62/1383469862.db2.gz NIDKFMRHSAAKES-JYRVWZFOSA-N 2 1 345.531 3.164 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001166744417 1383469869 /nfs/dbraw/zinc/46/98/69/1383469869.db2.gz VTMQWJKTZMQUJQ-UHFFFAOYSA-N 2 1 347.547 3.384 20 0 EGADMP CC[NH+](CC)Cc1c(Br)cccc1N[C@H]1CC[N@H+](C)C1 ZINC001167281208 1383583770 /nfs/dbraw/zinc/58/37/70/1383583770.db2.gz OIWYRZMRSYQPBA-ZDUSSCGKSA-N 2 1 340.309 3.407 20 0 EGADMP CC[NH+](CC)Cc1c(Br)cccc1N[C@H]1CC[N@@H+](C)C1 ZINC001167281208 1383583774 /nfs/dbraw/zinc/58/37/74/1383583774.db2.gz OIWYRZMRSYQPBA-ZDUSSCGKSA-N 2 1 340.309 3.407 20 0 EGADMP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385543 1383619331 /nfs/dbraw/zinc/61/93/31/1383619331.db2.gz IJZQQQUXMPWJEO-MSOLQXFVSA-N 2 1 337.552 3.172 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001167458594 1383638620 /nfs/dbraw/zinc/63/86/20/1383638620.db2.gz HNYQVKGMZNWZRR-UHFFFAOYSA-N 2 1 348.535 3.428 20 0 EGADMP O[C@]1(C[N@H+]2CCC3(C2)CCCCC3)CCN(Cc2ccccc2)C1 ZINC001167487484 1383648405 /nfs/dbraw/zinc/64/84/05/1383648405.db2.gz NQHGPPNTVMKTQM-OAQYLSRUSA-N 2 1 328.500 3.280 20 0 EGADMP O[C@]1(C[N@@H+]2CCC3(C2)CCCCC3)CC[NH+](Cc2ccccc2)C1 ZINC001167487484 1383648409 /nfs/dbraw/zinc/64/84/09/1383648409.db2.gz NQHGPPNTVMKTQM-OAQYLSRUSA-N 2 1 328.500 3.280 20 0 EGADMP O[C@]1(C[N@H+]2CCC3(C2)CCCCC3)CC[NH+](Cc2ccccc2)C1 ZINC001167487484 1383648411 /nfs/dbraw/zinc/64/84/11/1383648411.db2.gz NQHGPPNTVMKTQM-OAQYLSRUSA-N 2 1 328.500 3.280 20 0 EGADMP O[C@]1(C[NH+]2CCC3(C2)CCCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC001167487484 1383648413 /nfs/dbraw/zinc/64/84/13/1383648413.db2.gz NQHGPPNTVMKTQM-OAQYLSRUSA-N 2 1 328.500 3.280 20 0 EGADMP O[C@]1(C[NH+]2CCC3(C2)CCCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC001167487484 1383648417 /nfs/dbraw/zinc/64/84/17/1383648417.db2.gz NQHGPPNTVMKTQM-OAQYLSRUSA-N 2 1 328.500 3.280 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC001167685215 1383709802 /nfs/dbraw/zinc/70/98/02/1383709802.db2.gz IWFMGEJECDTSGM-COXVUDFISA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC001167685215 1383709807 /nfs/dbraw/zinc/70/98/07/1383709807.db2.gz IWFMGEJECDTSGM-COXVUDFISA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC001167685215 1383709810 /nfs/dbraw/zinc/70/98/10/1383709810.db2.gz IWFMGEJECDTSGM-COXVUDFISA-N 2 1 344.421 3.401 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]Cc2c(C)cccc2C)CC1 ZINC001167815304 1383747272 /nfs/dbraw/zinc/74/72/72/1383747272.db2.gz QFTBUWDSRDQXBJ-UHFFFAOYSA-N 2 1 345.531 3.021 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001167825229 1383750011 /nfs/dbraw/zinc/75/00/11/1383750011.db2.gz ICQIWPGRXDWAMX-SJORKVTESA-N 2 1 341.540 3.344 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001167825381 1383750416 /nfs/dbraw/zinc/75/04/16/1383750416.db2.gz JZASJEVNVTXCBH-IPMKNSEASA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](Oc2ccnc(OC)c2)C1 ZINC001167836220 1383753990 /nfs/dbraw/zinc/75/39/90/1383753990.db2.gz XTIUZYJFFLAGRD-WMZOPIPTSA-N 2 1 335.492 3.054 20 0 EGADMP COC(=O)c1ccccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982121 1383786658 /nfs/dbraw/zinc/78/66/58/1383786658.db2.gz XNENMANZMRCBQH-YQQQUEKLSA-N 2 1 342.483 3.011 20 0 EGADMP O=c1[nH]c2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)ccc2o1 ZINC001167981795 1383787110 /nfs/dbraw/zinc/78/71/10/1383787110.db2.gz KHQWIHOAZBEBNQ-MQVJKMGUSA-N 2 1 327.428 3.028 20 0 EGADMP COc1ccc2c(c1)C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CC2 ZINC001167985080 1383787586 /nfs/dbraw/zinc/78/75/86/1383787586.db2.gz VBVPBCZYAAFHDF-YOFSQIOKSA-N 2 1 326.484 3.459 20 0 EGADMP COc1ccc2c(c1)C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CC2 ZINC001167985080 1383787590 /nfs/dbraw/zinc/78/75/90/1383787590.db2.gz VBVPBCZYAAFHDF-YOFSQIOKSA-N 2 1 326.484 3.459 20 0 EGADMP COc1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167985080 1383787593 /nfs/dbraw/zinc/78/75/93/1383787593.db2.gz VBVPBCZYAAFHDF-YOFSQIOKSA-N 2 1 326.484 3.459 20 0 EGADMP COc1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167985080 1383787594 /nfs/dbraw/zinc/78/75/94/1383787594.db2.gz VBVPBCZYAAFHDF-YOFSQIOKSA-N 2 1 326.484 3.459 20 0 EGADMP CC(C)CC(=O)NC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995584 1383791503 /nfs/dbraw/zinc/79/15/03/1383791503.db2.gz JXQFNXAAHAGUFL-YOFSQIOKSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@@H]1CC(N2CC[N@H+]3CCC[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168053572 1383805369 /nfs/dbraw/zinc/80/53/69/1383805369.db2.gz PEPRNIKMEKYHNU-QWFCFKBJSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@@H]1CN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)[NH+]1C ZINC001168059276 1383807120 /nfs/dbraw/zinc/80/71/20/1383807120.db2.gz DCSZNCPGSKGDSJ-JNSGJOPJSA-N 2 1 329.532 3.452 20 0 EGADMP C[C@@H]1C[C@@H](N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059276 1383807126 /nfs/dbraw/zinc/80/71/26/1383807126.db2.gz DCSZNCPGSKGDSJ-JNSGJOPJSA-N 2 1 329.532 3.452 20 0 EGADMP C[C@@H]1C[C@@H](N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059276 1383807133 /nfs/dbraw/zinc/80/71/33/1383807133.db2.gz DCSZNCPGSKGDSJ-JNSGJOPJSA-N 2 1 329.532 3.452 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[C@@]3(CC[NH+](C)C3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059888 1383807194 /nfs/dbraw/zinc/80/71/94/1383807194.db2.gz VSCZCWBTKOGFTG-NPDDRXJXSA-N 2 1 341.543 3.456 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[C@@]3(CC[N@H+](C)C3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059888 1383807201 /nfs/dbraw/zinc/80/72/01/1383807201.db2.gz VSCZCWBTKOGFTG-NPDDRXJXSA-N 2 1 341.543 3.456 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[C@@]3(CC[N@@H+](C)C3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059888 1383807208 /nfs/dbraw/zinc/80/72/08/1383807208.db2.gz VSCZCWBTKOGFTG-NPDDRXJXSA-N 2 1 341.543 3.456 20 0 EGADMP C[C@H]1CC([N@@H+]2CCCC3(C2)OCCO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064630 1383808371 /nfs/dbraw/zinc/80/83/71/1383808371.db2.gz QZIGZBUMACJWDF-ROUUACIJSA-N 2 1 344.499 3.267 20 0 EGADMP C[C@H]1CC([N@H+]2CCCC3(C2)OCCO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064630 1383808374 /nfs/dbraw/zinc/80/83/74/1383808374.db2.gz QZIGZBUMACJWDF-ROUUACIJSA-N 2 1 344.499 3.267 20 0 EGADMP COC(=O)[C@]1(C)CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168066614 1383809098 /nfs/dbraw/zinc/80/90/98/1383809098.db2.gz QODKSNHDVUJPBV-SHJAMOMRSA-N 2 1 344.499 3.313 20 0 EGADMP COC(=O)[C@]1(C)CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168066614 1383809102 /nfs/dbraw/zinc/80/91/02/1383809102.db2.gz QODKSNHDVUJPBV-SHJAMOMRSA-N 2 1 344.499 3.313 20 0 EGADMP COC(=O)[C@]1(C)CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168066614 1383809105 /nfs/dbraw/zinc/80/91/05/1383809105.db2.gz QODKSNHDVUJPBV-SHJAMOMRSA-N 2 1 344.499 3.313 20 0 EGADMP C[C@@H]1CO[C@@H]2C[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@H]12 ZINC001168065984 1383809876 /nfs/dbraw/zinc/80/98/76/1383809876.db2.gz ZNFCWXOZCNHROY-VRNFHHEUSA-N 2 1 328.500 3.395 20 0 EGADMP C[C@@H]1CO[C@@H]2C[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C[C@H]12 ZINC001168065984 1383809881 /nfs/dbraw/zinc/80/98/81/1383809881.db2.gz ZNFCWXOZCNHROY-VRNFHHEUSA-N 2 1 328.500 3.395 20 0 EGADMP C[C@@H]1CO[C@@H]2C[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C[C@H]12 ZINC001168065984 1383809883 /nfs/dbraw/zinc/80/98/83/1383809883.db2.gz ZNFCWXOZCNHROY-VRNFHHEUSA-N 2 1 328.500 3.395 20 0 EGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CCO1 ZINC001168142448 1383825834 /nfs/dbraw/zinc/82/58/34/1383825834.db2.gz CTKRSTFCUBDQIM-BVOGOJNSSA-N 2 1 328.500 3.398 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CCO1 ZINC001168142448 1383825844 /nfs/dbraw/zinc/82/58/44/1383825844.db2.gz CTKRSTFCUBDQIM-BVOGOJNSSA-N 2 1 328.500 3.398 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CCO1 ZINC001168142448 1383825850 /nfs/dbraw/zinc/82/58/50/1383825850.db2.gz CTKRSTFCUBDQIM-BVOGOJNSSA-N 2 1 328.500 3.398 20 0 EGADMP COc1ccc2c(c1)C[C@@H](N(c1cccc(C)[nH+]1)C1CC[NH2+]CC1)C2 ZINC001168290722 1383864739 /nfs/dbraw/zinc/86/47/39/1383864739.db2.gz BTBYIMXNWAAXJO-IBGZPJMESA-N 2 1 337.467 3.124 20 0 EGADMP C[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001168314526 1383871768 /nfs/dbraw/zinc/87/17/68/1383871768.db2.gz MJANKJNOSCQLSV-GTPINHCMSA-N 2 1 339.524 3.191 20 0 EGADMP c1ccc(C[NH+]2CCC(C[NH2+]C3CCN(CC4CC4)CC3)CC2)cc1 ZINC001168352691 1383880260 /nfs/dbraw/zinc/88/02/60/1383880260.db2.gz AKRKWEFCXBHFBH-UHFFFAOYSA-N 2 1 341.543 3.363 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001168363295 1383883481 /nfs/dbraw/zinc/88/34/81/1383883481.db2.gz CBDAAXLDUMAADT-UHFFFAOYSA-N 2 1 348.535 3.284 20 0 EGADMP CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001168387724 1383891413 /nfs/dbraw/zinc/89/14/13/1383891413.db2.gz RDNXOTDDDMRPQQ-JOCHJYFZSA-N 2 1 341.543 3.457 20 0 EGADMP Cc1ccnc(OC2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001168394963 1383894372 /nfs/dbraw/zinc/89/43/72/1383894372.db2.gz IHXSLFVYOWOXNG-UHFFFAOYSA-N 2 1 329.488 3.108 20 0 EGADMP Cc1cccnc1OC1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168395210 1383894530 /nfs/dbraw/zinc/89/45/30/1383894530.db2.gz QIMYMJPYBDBWAX-UHFFFAOYSA-N 2 1 329.488 3.108 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CCN(C4CC[NH+](CC5CC5)CC4)[C@@H]3C2)cc1 ZINC001168394800 1383894590 /nfs/dbraw/zinc/89/45/90/1383894590.db2.gz HQBJPJAHTYYDDS-IFMALSPDSA-N 2 1 339.527 3.067 20 0 EGADMP c1ccc(CN2C[C@H]3CC[N@@H+](C4CC[NH+](CC5CC5)CC4)[C@@H]3C2)cc1 ZINC001168394800 1383894597 /nfs/dbraw/zinc/89/45/97/1383894597.db2.gz HQBJPJAHTYYDDS-IFMALSPDSA-N 2 1 339.527 3.067 20 0 EGADMP c1ccc(CN2C[C@H]3CC[N@H+](C4CC[NH+](CC5CC5)CC4)[C@@H]3C2)cc1 ZINC001168394800 1383894600 /nfs/dbraw/zinc/89/46/00/1383894600.db2.gz HQBJPJAHTYYDDS-IFMALSPDSA-N 2 1 339.527 3.067 20 0 EGADMP CC(C)[N@@H+](C)Cc1nn([C@H](C)Cc2cccc(F)c2)c2c1CC[NH2+]C2 ZINC001168487715 1383922130 /nfs/dbraw/zinc/92/21/30/1383922130.db2.gz PXRTVOBTTAIHPU-OAHLLOKOSA-N 2 1 344.478 3.312 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]CC1CC(C)(C)C1 ZINC001168607203 1383947277 /nfs/dbraw/zinc/94/72/77/1383947277.db2.gz SGVINXOLRPCBLV-UHFFFAOYSA-N 2 1 325.541 3.031 20 0 EGADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001307485100 1383997321 /nfs/dbraw/zinc/99/73/21/1383997321.db2.gz CPRSNLHBDMJPQL-IHPCNDPISA-N 2 1 345.531 3.306 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)C2 ZINC001169092225 1384104972 /nfs/dbraw/zinc/10/49/72/1384104972.db2.gz AERPAEZIJFVTOH-NNZMDNLPSA-N 2 1 330.472 3.357 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)C2 ZINC001169092225 1384104975 /nfs/dbraw/zinc/10/49/75/1384104975.db2.gz AERPAEZIJFVTOH-NNZMDNLPSA-N 2 1 330.472 3.357 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccccc3F)CC1)C2 ZINC001169089814 1384105219 /nfs/dbraw/zinc/10/52/19/1384105219.db2.gz GFBWTLRKXJCEOC-LDLYASANSA-N 2 1 331.479 3.005 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1Cc3ccc(Br)cc3C1)C2 ZINC001169096220 1384106389 /nfs/dbraw/zinc/10/63/89/1384106389.db2.gz VUOXRKMYPLETEV-WCXIOVBPSA-N 2 1 335.289 3.131 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(OC3CCOCC3)c(F)c1)C2 ZINC001169108096 1384108151 /nfs/dbraw/zinc/10/81/51/1384108151.db2.gz OMWVLBRTWAPDHW-OSYLJGHBSA-N 2 1 348.462 3.098 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(OC3CCOCC3)c(F)c1)C2 ZINC001169108096 1384108153 /nfs/dbraw/zinc/10/81/53/1384108153.db2.gz OMWVLBRTWAPDHW-OSYLJGHBSA-N 2 1 348.462 3.098 20 0 EGADMP COc1ccc(CC2([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCOCC2)cc1 ZINC001169115298 1384109153 /nfs/dbraw/zinc/10/91/53/1384109153.db2.gz IHYQJWNKDOVIHN-LDLYASANSA-N 2 1 344.499 3.002 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@]13CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169130361 1384111393 /nfs/dbraw/zinc/11/13/93/1384111393.db2.gz MWHAHOBDCSHJCO-NHAYFPRASA-N 2 1 349.519 3.087 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@]13CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169130361 1384111394 /nfs/dbraw/zinc/11/13/94/1384111394.db2.gz MWHAHOBDCSHJCO-NHAYFPRASA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@]13CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169130361 1384111398 /nfs/dbraw/zinc/11/13/98/1384111398.db2.gz MWHAHOBDCSHJCO-NHAYFPRASA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@]13CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169130361 1384111400 /nfs/dbraw/zinc/11/14/00/1384111400.db2.gz MWHAHOBDCSHJCO-NHAYFPRASA-N 2 1 349.519 3.087 20 0 EGADMP COc1ccc([C@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC001169141739 1384112809 /nfs/dbraw/zinc/11/28/09/1384112809.db2.gz SCTMBWMSJNEBRG-VSZNYVQBSA-N 2 1 330.472 3.466 20 0 EGADMP COc1ccc([C@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC001169141739 1384112811 /nfs/dbraw/zinc/11/28/11/1384112811.db2.gz SCTMBWMSJNEBRG-VSZNYVQBSA-N 2 1 330.472 3.466 20 0 EGADMP COCC[N@@H+](C)Cc1ccnc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1 ZINC001169141502 1384112974 /nfs/dbraw/zinc/11/29/74/1384112974.db2.gz JWKWNKMVRQDLAC-YLJYHZDGSA-N 2 1 348.535 3.115 20 0 EGADMP COC(=O)c1ccc(C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001169144657 1384114133 /nfs/dbraw/zinc/11/41/33/1384114133.db2.gz LLZWTKKDDXTBNF-ACDBMABISA-N 2 1 342.483 3.278 20 0 EGADMP C[N@@H+](Cc1ccccc1F)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169152687 1384115631 /nfs/dbraw/zinc/11/56/31/1384115631.db2.gz DHYMRCARFAEOCP-ACDBMABISA-N 2 1 345.506 3.347 20 0 EGADMP C[NH+](Cc1ccccc1F)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169152687 1384115633 /nfs/dbraw/zinc/11/56/33/1384115633.db2.gz DHYMRCARFAEOCP-ACDBMABISA-N 2 1 345.506 3.347 20 0 EGADMP C[NH+](Cc1ccccc1F)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169152687 1384115635 /nfs/dbraw/zinc/11/56/35/1384115635.db2.gz DHYMRCARFAEOCP-ACDBMABISA-N 2 1 345.506 3.347 20 0 EGADMP CN(Cc1ccccc1F)C1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169152687 1384115641 /nfs/dbraw/zinc/11/56/41/1384115641.db2.gz DHYMRCARFAEOCP-ACDBMABISA-N 2 1 345.506 3.347 20 0 EGADMP CN(Cc1ccccc1F)C1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169152687 1384115644 /nfs/dbraw/zinc/11/56/44/1384115644.db2.gz DHYMRCARFAEOCP-ACDBMABISA-N 2 1 345.506 3.347 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CCC2(C)C)CC1 ZINC001169233379 1384125184 /nfs/dbraw/zinc/12/51/84/1384125184.db2.gz PHBMJGKACQSENS-MRXNPFEDSA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC001169246051 1384126958 /nfs/dbraw/zinc/12/69/58/1384126958.db2.gz NMJXAINZXHCXNV-JKSUJKDBSA-N 2 1 339.524 3.096 20 0 EGADMP CC[NH+]1CCC([N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC001169246051 1384126961 /nfs/dbraw/zinc/12/69/61/1384126961.db2.gz NMJXAINZXHCXNV-JKSUJKDBSA-N 2 1 339.524 3.096 20 0 EGADMP CCN1CCC([N@@H+](CC)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001169258995 1384128616 /nfs/dbraw/zinc/12/86/16/1384128616.db2.gz XQYHQSOLCPSDQW-UHFFFAOYSA-N 2 1 339.524 3.192 20 0 EGADMP CC[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](CC)CC1 ZINC001169258995 1384128618 /nfs/dbraw/zinc/12/86/18/1384128618.db2.gz XQYHQSOLCPSDQW-UHFFFAOYSA-N 2 1 339.524 3.192 20 0 EGADMP CC[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](CC)CC1 ZINC001169258995 1384128620 /nfs/dbraw/zinc/12/86/20/1384128620.db2.gz XQYHQSOLCPSDQW-UHFFFAOYSA-N 2 1 339.524 3.192 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001169542434 1384157903 /nfs/dbraw/zinc/15/79/03/1384157903.db2.gz VTXWNSQLKHHJAU-ZHALLVOQSA-N 2 1 345.531 3.180 20 0 EGADMP c1ccc(-c2cccnc2)c(CNc2[nH+]cccc2N2CC[NH2+]CC2)c1 ZINC001170110555 1384237527 /nfs/dbraw/zinc/23/75/27/1384237527.db2.gz BBUDVIKNBSFDAS-UHFFFAOYSA-N 2 1 345.450 3.165 20 0 EGADMP COc1[nH+]ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1N ZINC001170331515 1384293106 /nfs/dbraw/zinc/29/31/06/1384293106.db2.gz WSKDGAIWAUNWBI-OSYLJGHBSA-N 2 1 338.455 3.280 20 0 EGADMP COc1[nH+]ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1N ZINC001170331515 1384293109 /nfs/dbraw/zinc/29/31/09/1384293109.db2.gz WSKDGAIWAUNWBI-OSYLJGHBSA-N 2 1 338.455 3.280 20 0 EGADMP CC[C@@H]1CC([N@@H+](C)C[C@H](C)C[NH3+])C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170476652 1384327018 /nfs/dbraw/zinc/32/70/18/1384327018.db2.gz ZGJPAVJPMWEPBQ-BZUAXINKSA-N 2 1 341.540 3.470 20 0 EGADMP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)C[C@@H]21 ZINC001170748880 1384377684 /nfs/dbraw/zinc/37/76/84/1384377684.db2.gz AWOOCTRUSXTQFX-LUPIEILUSA-N 2 1 342.531 3.162 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC001170784160 1384384717 /nfs/dbraw/zinc/38/47/17/1384384717.db2.gz FNLQOUASTADORL-UYAOXDASSA-N 2 1 345.531 3.498 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861907 1384400950 /nfs/dbraw/zinc/40/09/50/1384400950.db2.gz HZOGNLBRMIYNPR-QWFCFKBJSA-N 2 1 349.563 3.482 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCCF ZINC001170878261 1384403422 /nfs/dbraw/zinc/40/34/22/1384403422.db2.gz MGTWRTOEGWJLKY-JKSUJKDBSA-N 2 1 340.487 3.021 20 0 EGADMP CC(C)c1cc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)nc(N(C)C)[nH+]1 ZINC001171097926 1384445687 /nfs/dbraw/zinc/44/56/87/1384445687.db2.gz WJYHDKMBODYILA-AWEZNQCLSA-N 2 1 349.482 3.426 20 0 EGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001171236579 1384476535 /nfs/dbraw/zinc/47/65/35/1384476535.db2.gz NRVNVUSDARWSJW-ZWKOTPCHSA-N 2 1 325.541 3.029 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl ZINC001171248359 1384478323 /nfs/dbraw/zinc/47/83/23/1384478323.db2.gz TUXBQAWLDMEOSW-CFMJQPPZSA-N 2 1 343.943 3.266 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171248915 1384478752 /nfs/dbraw/zinc/47/87/52/1384478752.db2.gz YKYIXMBHUQPNDO-ROUUACIJSA-N 2 1 348.535 3.461 20 0 EGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001171248945 1384478812 /nfs/dbraw/zinc/47/88/12/1384478812.db2.gz ZFQPEWPFPJJBJA-ROUUACIJSA-N 2 1 325.541 3.314 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001316624787 1384489948 /nfs/dbraw/zinc/48/99/48/1384489948.db2.gz OJXVOZGFAXAQRL-INDMIFKZSA-N 2 1 337.552 3.027 20 0 EGADMP C[N@H+](C1CCOCC1)C1CC[NH+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171438415 1384524227 /nfs/dbraw/zinc/52/42/27/1384524227.db2.gz RQMFCOFISXVQCW-IBGZPJMESA-N 2 1 346.490 3.258 20 0 EGADMP C[N@@H+](C1CCOCC1)C1CC[NH+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171438415 1384524231 /nfs/dbraw/zinc/52/42/31/1384524231.db2.gz RQMFCOFISXVQCW-IBGZPJMESA-N 2 1 346.490 3.258 20 0 EGADMP COC1CC[NH+](C2CC[NH+]([C@H]3CCc4c(F)cccc4C3)CC2)CC1 ZINC001171441553 1384524987 /nfs/dbraw/zinc/52/49/87/1384524987.db2.gz MJURPAHSILGIBR-SFHVURJKSA-N 2 1 346.490 3.258 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171505860 1384545137 /nfs/dbraw/zinc/54/51/37/1384545137.db2.gz NHBMSJATEKUDJC-OCCSQVGLSA-N 2 1 326.406 3.283 20 0 EGADMP C[C@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171537783 1384555266 /nfs/dbraw/zinc/55/52/66/1384555266.db2.gz HJNHPMIBQKQJQE-APWZRJJASA-N 2 1 349.494 3.075 20 0 EGADMP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171537427 1384555562 /nfs/dbraw/zinc/55/55/62/1384555562.db2.gz CFHBETSSSVHWSC-OXUXSNCKSA-N 2 1 337.552 3.482 20 0 EGADMP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171538189 1384556299 /nfs/dbraw/zinc/55/62/99/1384556299.db2.gz KRAZJIOCDYHGGM-IAGOWNOFSA-N 2 1 325.541 3.172 20 0 EGADMP C[C@H](COCc1ccccc1)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554622 1384560867 /nfs/dbraw/zinc/56/08/67/1384560867.db2.gz KYOUHYIOXLOOSF-IBGZPJMESA-N 2 1 339.483 3.447 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C ZINC001171586299 1384572286 /nfs/dbraw/zinc/57/22/86/1384572286.db2.gz LFCFQBHJDKWPHJ-SFHVURJKSA-N 2 1 347.547 3.490 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001171586011 1384572434 /nfs/dbraw/zinc/57/24/34/1384572434.db2.gz HCGIBPCENNCUBO-QGZVFWFLSA-N 2 1 333.520 3.182 20 0 EGADMP CCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001171618135 1384580928 /nfs/dbraw/zinc/58/09/28/1384580928.db2.gz FQBFYJINLCVXBD-INIZCTEOSA-N 2 1 325.541 3.314 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001171618649 1384581820 /nfs/dbraw/zinc/58/18/20/1384581820.db2.gz LSYOMGVDHMOXIG-INIZCTEOSA-N 2 1 337.552 3.314 20 0 EGADMP C[NH+]1C(C)(C)CC(NCC2C[NH+](Cc3ccccc3)C2)CC1(C)C ZINC001171619572 1384582176 /nfs/dbraw/zinc/58/21/76/1384582176.db2.gz PPAOUVLJZNUYAA-UHFFFAOYSA-N 2 1 329.532 3.359 20 0 EGADMP COC[C@@]12CCCO[C@@H]1CC[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171637719 1384587599 /nfs/dbraw/zinc/58/75/99/1384587599.db2.gz NDWHWCDFTKNRQQ-XLIONFOSSA-N 2 1 338.536 3.155 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC1(C)C ZINC001171635074 1384588319 /nfs/dbraw/zinc/58/83/19/1384588319.db2.gz MRVZXRGNTIUPNV-ROUUACIJSA-N 2 1 347.547 3.113 20 0 EGADMP Cc1cccnc1O[C@@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641902 1384589447 /nfs/dbraw/zinc/58/94/47/1384589447.db2.gz VNUHMVSARRCLRQ-QGZVFWFLSA-N 2 1 331.504 3.495 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001171646763 1384591992 /nfs/dbraw/zinc/59/19/92/1384591992.db2.gz PHIFWAZHCXLQKE-OALUTQOASA-N 2 1 339.568 3.418 20 0 EGADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001171646754 1384592144 /nfs/dbraw/zinc/59/21/44/1384592144.db2.gz PBTFCUMUWZUPHX-QZTJIDSGSA-N 2 1 325.541 3.027 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC001171731393 1384617177 /nfs/dbraw/zinc/61/71/77/1384617177.db2.gz AINPHKQRZLKPOK-BVJIBDCISA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171731393 1384617182 /nfs/dbraw/zinc/61/71/82/1384617182.db2.gz AINPHKQRZLKPOK-BVJIBDCISA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171731393 1384617187 /nfs/dbraw/zinc/61/71/87/1384617187.db2.gz AINPHKQRZLKPOK-BVJIBDCISA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@H](NC2CC[NH+](CC3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171732590 1384618632 /nfs/dbraw/zinc/61/86/32/1384618632.db2.gz CRIWNUFLTWMIHM-UWJYYQICSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H]1C[C@@H](N(CC[NH3+])c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC001171739213 1384620493 /nfs/dbraw/zinc/62/04/93/1384620493.db2.gz PLLASLHDHLPAOO-OXJNMPFZSA-N 2 1 327.447 3.254 20 0 EGADMP C[C@H]1C[C@H](N2CCC([NH+](C)C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171758694 1384626914 /nfs/dbraw/zinc/62/69/14/1384626914.db2.gz AFOXMZDGGXQOIN-UWJYYQICSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@H]1C[C@H](N2CCC([N@H+](C)C3CC3)CC2)C[NH+]1Cc1ccccc1 ZINC001171758694 1384626919 /nfs/dbraw/zinc/62/69/19/1384626919.db2.gz AFOXMZDGGXQOIN-UWJYYQICSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@H]1C[C@H](N2CCC([N@@H+](C)C3CC3)CC2)C[NH+]1Cc1ccccc1 ZINC001171758694 1384626922 /nfs/dbraw/zinc/62/69/22/1384626922.db2.gz AFOXMZDGGXQOIN-UWJYYQICSA-N 2 1 327.516 3.208 20 0 EGADMP CCCCC[NH+]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171761334 1384627422 /nfs/dbraw/zinc/62/74/22/1384627422.db2.gz CZAOOPFZELUQDT-TZIWHRDSSA-N 2 1 329.532 3.457 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171799560 1384642242 /nfs/dbraw/zinc/64/22/42/1384642242.db2.gz MFTOWWRLOXYKMS-MRXNPFEDSA-N 2 1 325.431 3.235 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC2(CCC2)C1 ZINC001171821920 1384650780 /nfs/dbraw/zinc/65/07/80/1384650780.db2.gz PSSCGNKCYOSRBO-INIZCTEOSA-N 2 1 346.519 3.036 20 0 EGADMP CC1(C)C[C@@H](NCC(=O)N2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171964608 1384697673 /nfs/dbraw/zinc/69/76/73/1384697673.db2.gz GVFOIVKPLFNJRZ-IBGZPJMESA-N 2 1 343.515 3.032 20 0 EGADMP CC1(C)C[C@@H]([NH2+]CC(=O)N2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171964608 1384697674 /nfs/dbraw/zinc/69/76/74/1384697674.db2.gz GVFOIVKPLFNJRZ-IBGZPJMESA-N 2 1 343.515 3.032 20 0 EGADMP CC1(C)C[C@@H]([NH2+]CC(=O)N2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171964608 1384697677 /nfs/dbraw/zinc/69/76/77/1384697677.db2.gz GVFOIVKPLFNJRZ-IBGZPJMESA-N 2 1 343.515 3.032 20 0 EGADMP Cc1nccn1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967605 1384698547 /nfs/dbraw/zinc/69/85/47/1384698547.db2.gz MLYYHUBQAVTBCJ-LJQANCHMSA-N 3 1 326.488 3.224 20 0 EGADMP COC(CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC001171975573 1384701040 /nfs/dbraw/zinc/70/10/40/1384701040.db2.gz MDITVZZOLCXKBY-GOSISDBHSA-N 2 1 334.504 3.418 20 0 EGADMP CC1(C)C[C@@H]([NH2+]CCN2CCC[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171974571 1384701142 /nfs/dbraw/zinc/70/11/42/1384701142.db2.gz HPCBTUJTIHYVOY-UXHICEINSA-N 2 1 347.522 3.453 20 0 EGADMP C[N@H+]1C[C@@H]2CCCN([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)[C@@H]2C1 ZINC001171985983 1384703928 /nfs/dbraw/zinc/70/39/28/1384703928.db2.gz DWKMLODEDUQBTD-PWRODBHTSA-N 2 1 341.543 3.456 20 0 EGADMP C[NH+]1C[C@@H]2CCCN([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)[C@@H]2C1 ZINC001171985983 1384703929 /nfs/dbraw/zinc/70/39/29/1384703929.db2.gz DWKMLODEDUQBTD-PWRODBHTSA-N 2 1 341.543 3.456 20 0 EGADMP C[NH+]1C[C@@H]2CCCN([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)[C@@H]2C1 ZINC001171985983 1384703932 /nfs/dbraw/zinc/70/39/32/1384703932.db2.gz DWKMLODEDUQBTD-PWRODBHTSA-N 2 1 341.543 3.456 20 0 EGADMP O[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172067083 1384716241 /nfs/dbraw/zinc/71/62/41/1384716241.db2.gz AJQNJKCTGHXPFB-IVAOSVALSA-N 2 1 328.500 3.419 20 0 EGADMP O[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172067083 1384716245 /nfs/dbraw/zinc/71/62/45/1384716245.db2.gz AJQNJKCTGHXPFB-IVAOSVALSA-N 2 1 328.500 3.419 20 0 EGADMP O[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172067083 1384716251 /nfs/dbraw/zinc/71/62/51/1384716251.db2.gz AJQNJKCTGHXPFB-IVAOSVALSA-N 2 1 328.500 3.419 20 0 EGADMP O[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172067083 1384716258 /nfs/dbraw/zinc/71/62/58/1384716258.db2.gz AJQNJKCTGHXPFB-IVAOSVALSA-N 2 1 328.500 3.419 20 0 EGADMP O[C@@H]1CCCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068162 1384716994 /nfs/dbraw/zinc/71/69/94/1384716994.db2.gz HYBFSTOFRIGDSA-IVAOSVALSA-N 2 1 328.500 3.419 20 0 EGADMP O[C@@H]1CCCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068162 1384716998 /nfs/dbraw/zinc/71/69/98/1384716998.db2.gz HYBFSTOFRIGDSA-IVAOSVALSA-N 2 1 328.500 3.419 20 0 EGADMP O[C@@H]1CCCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068162 1384717000 /nfs/dbraw/zinc/71/70/00/1384717000.db2.gz HYBFSTOFRIGDSA-IVAOSVALSA-N 2 1 328.500 3.419 20 0 EGADMP O[C@@H]1CCCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068162 1384717005 /nfs/dbraw/zinc/71/70/05/1384717005.db2.gz HYBFSTOFRIGDSA-IVAOSVALSA-N 2 1 328.500 3.419 20 0 EGADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@H]4OCC[C@H]42)C3)cc1 ZINC001172069326 1384718687 /nfs/dbraw/zinc/71/86/87/1384718687.db2.gz PBBFMXQYGYTPOB-XDWAVFMPSA-N 2 1 326.484 3.435 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@H]4OCC[C@H]42)C3)cc1 ZINC001172069326 1384718689 /nfs/dbraw/zinc/71/86/89/1384718689.db2.gz PBBFMXQYGYTPOB-XDWAVFMPSA-N 2 1 326.484 3.435 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CC[C@H]4OCC[C@H]42)C3)cc1 ZINC001172069326 1384718692 /nfs/dbraw/zinc/71/86/92/1384718692.db2.gz PBBFMXQYGYTPOB-XDWAVFMPSA-N 2 1 326.484 3.435 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CC[C@H]4OCC[C@H]42)C3)cc1 ZINC001172069326 1384718694 /nfs/dbraw/zinc/71/86/94/1384718694.db2.gz PBBFMXQYGYTPOB-XDWAVFMPSA-N 2 1 326.484 3.435 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1)[NH+](C)C ZINC001316948760 1384720998 /nfs/dbraw/zinc/72/09/98/1384720998.db2.gz VPDXLVACMKQBRL-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC[NH+](C4CC4)CC2)C3)cc1 ZINC001172080054 1384721515 /nfs/dbraw/zinc/72/15/15/1384721515.db2.gz SLCMBISTOYGUJS-ZBYYUNFXSA-N 2 1 339.527 3.352 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](Nc1c(Br)cccc1C[NH3+])C2 ZINC001172110521 1384730260 /nfs/dbraw/zinc/73/02/60/1384730260.db2.gz OCAAJBGAOUCUFZ-BTTYYORXSA-N 2 1 338.293 3.335 20 0 EGADMP C[N@H+](Cc1cncc(Br)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172119604 1384733543 /nfs/dbraw/zinc/73/35/43/1384733543.db2.gz XVVOVOXNBGYSJK-MUJYYYPQSA-N 2 1 338.293 3.291 20 0 EGADMP C[N@@H+](Cc1cncc(Br)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172119604 1384733546 /nfs/dbraw/zinc/73/35/46/1384733546.db2.gz XVVOVOXNBGYSJK-MUJYYYPQSA-N 2 1 338.293 3.291 20 0 EGADMP C[NH+](Cc1cncc(Br)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119604 1384733548 /nfs/dbraw/zinc/73/35/48/1384733548.db2.gz XVVOVOXNBGYSJK-MUJYYYPQSA-N 2 1 338.293 3.291 20 0 EGADMP C[NH+](Cc1cncc(Br)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119604 1384733550 /nfs/dbraw/zinc/73/35/50/1384733550.db2.gz XVVOVOXNBGYSJK-MUJYYYPQSA-N 2 1 338.293 3.291 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC001172127116 1384735759 /nfs/dbraw/zinc/73/57/59/1384735759.db2.gz GXQSPBNAIFUHPK-LXHROKJGSA-N 2 1 339.527 3.208 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC001172127116 1384735760 /nfs/dbraw/zinc/73/57/60/1384735760.db2.gz GXQSPBNAIFUHPK-LXHROKJGSA-N 2 1 339.527 3.208 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC001172127116 1384735777 /nfs/dbraw/zinc/73/57/77/1384735777.db2.gz GXQSPBNAIFUHPK-LXHROKJGSA-N 2 1 339.527 3.208 20 0 EGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127359 1384736379 /nfs/dbraw/zinc/73/63/79/1384736379.db2.gz IPYOTYDJGJFEHO-CZYKHXBRSA-N 2 1 341.543 3.456 20 0 EGADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127359 1384736381 /nfs/dbraw/zinc/73/63/81/1384736381.db2.gz IPYOTYDJGJFEHO-CZYKHXBRSA-N 2 1 341.543 3.456 20 0 EGADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127359 1384736383 /nfs/dbraw/zinc/73/63/83/1384736383.db2.gz IPYOTYDJGJFEHO-CZYKHXBRSA-N 2 1 341.543 3.456 20 0 EGADMP Cc1cccnc1OC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172133263 1384737201 /nfs/dbraw/zinc/73/72/01/1384737201.db2.gz QRHWTHKEZIRTLH-BCDXTJNWSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1cccnc1OC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172133263 1384737204 /nfs/dbraw/zinc/73/72/04/1384737204.db2.gz QRHWTHKEZIRTLH-BCDXTJNWSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1ccnc(OC2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001172133989 1384738941 /nfs/dbraw/zinc/73/89/41/1384738941.db2.gz VNZYOXALBHOGKG-BCDXTJNWSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1ccnc(OC2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172133989 1384738952 /nfs/dbraw/zinc/73/89/52/1384738952.db2.gz VNZYOXALBHOGKG-BCDXTJNWSA-N 2 1 329.488 3.249 20 0 EGADMP CCCCOc1ccc(C[NH2+]C2CC[NH+](CCCOC)CC2)cc1 ZINC001172245553 1384755037 /nfs/dbraw/zinc/75/50/37/1384755037.db2.gz WOMDBIDZMHXRDF-UHFFFAOYSA-N 2 1 334.504 3.456 20 0 EGADMP CC(C)OCC[C@@H](C)[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172448685 1384793797 /nfs/dbraw/zinc/79/37/97/1384793797.db2.gz WYHKGIWHSRSOOL-MOPGFXCFSA-N 2 1 326.525 3.013 20 0 EGADMP CC(C)OCC[C@@H](C)[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001172448685 1384793799 /nfs/dbraw/zinc/79/37/99/1384793799.db2.gz WYHKGIWHSRSOOL-MOPGFXCFSA-N 2 1 326.525 3.013 20 0 EGADMP CC(C)OCC[C@@H](C)[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001172448685 1384793800 /nfs/dbraw/zinc/79/38/00/1384793800.db2.gz WYHKGIWHSRSOOL-MOPGFXCFSA-N 2 1 326.525 3.013 20 0 EGADMP CC(C)OCC[C@@H](C)[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001172448685 1384793801 /nfs/dbraw/zinc/79/38/01/1384793801.db2.gz WYHKGIWHSRSOOL-MOPGFXCFSA-N 2 1 326.525 3.013 20 0 EGADMP CC(C)COCC[C@@H](C)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172471031 1384799855 /nfs/dbraw/zinc/79/98/55/1384799855.db2.gz ISQIETCYLAMGBH-KZNAEPCWSA-N 2 1 326.525 3.189 20 0 EGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H](C)CCOCC(C)C)CC1 ZINC001172475188 1384801550 /nfs/dbraw/zinc/80/15/50/1384801550.db2.gz GEYIMJFLKFSGOH-PKOBYXMFSA-N 2 1 326.525 3.013 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H](C)CCOCC(C)C)CC1 ZINC001172475188 1384801553 /nfs/dbraw/zinc/80/15/53/1384801553.db2.gz GEYIMJFLKFSGOH-PKOBYXMFSA-N 2 1 326.525 3.013 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172665806 1384829680 /nfs/dbraw/zinc/82/96/80/1384829680.db2.gz NXBLWAAKADYTFY-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H](C)CCC(=O)OC(C)C)CC1 ZINC001172759948 1384844679 /nfs/dbraw/zinc/84/46/79/1384844679.db2.gz SEDGUPBNYLVQDE-OAHLLOKOSA-N 2 1 333.476 3.049 20 0 EGADMP CC(C)OC(=O)CC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172757175 1384845550 /nfs/dbraw/zinc/84/55/50/1384845550.db2.gz UIIRYVWYNZCVGG-PKOBYXMFSA-N 2 1 332.488 3.218 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](C2CCCC2)C2CCN(C)CC2)CC1 ZINC001172804011 1384855867 /nfs/dbraw/zinc/85/58/67/1384855867.db2.gz RRXBPUUJUUUWSU-AEFFLSMTSA-N 2 1 336.520 3.447 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173075358 1384908305 /nfs/dbraw/zinc/90/83/05/1384908305.db2.gz KOSUPEAMDCSLOS-CVEARBPZSA-N 2 1 327.513 3.048 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173081769 1384909951 /nfs/dbraw/zinc/90/99/51/1384909951.db2.gz GVEBJUJYYFCKSF-LBPRGKRZSA-N 2 1 327.350 3.311 20 0 EGADMP CCCOC1CCC([NH+]2CCC([N@@H+](CC)[C@H]3CCOC3)CC2)CC1 ZINC001173099433 1384914340 /nfs/dbraw/zinc/91/43/40/1384914340.db2.gz CPKVJJMOUDAIJC-SYYJFZTOSA-N 2 1 338.536 3.299 20 0 EGADMP CCOCc1ncn2c1C[N@H+](C1CCC([NH+](CC)CC)CC1)CCC2 ZINC001173110937 1384916950 /nfs/dbraw/zinc/91/69/50/1384916950.db2.gz PISGEKTZOCMJSL-UHFFFAOYSA-N 2 1 348.535 3.278 20 0 EGADMP CCOC[C@@H]1C[N@@H+](C2CCC([NH+](CC)CC)CC2)Cc2ncn(C)c21 ZINC001173109550 1384917036 /nfs/dbraw/zinc/91/70/36/1384917036.db2.gz JMJZJAKNEQOICG-AOCRQIFASA-N 2 1 348.535 3.009 20 0 EGADMP CCOC[C@@H]1C[N@H+](C2CCC([NH+](CC)CC)CC2)Cc2ncn(C)c21 ZINC001173109550 1384917047 /nfs/dbraw/zinc/91/70/47/1384917047.db2.gz JMJZJAKNEQOICG-AOCRQIFASA-N 2 1 348.535 3.009 20 0 EGADMP c1csc(C[N@H+]2C[C@@H]3C[NH+]([C@H]4CCc5ncsc5C4)C[C@@H]3C2)c1 ZINC001173133287 1384920455 /nfs/dbraw/zinc/92/04/55/1384920455.db2.gz NFBIMJWAZNMOHN-ZNMIVQPWSA-N 2 1 345.537 3.126 20 0 EGADMP c1csc(C[N@@H+]2C[C@@H]3C[NH+]([C@H]4CCc5ncsc5C4)C[C@@H]3C2)c1 ZINC001173133287 1384920457 /nfs/dbraw/zinc/92/04/57/1384920457.db2.gz NFBIMJWAZNMOHN-ZNMIVQPWSA-N 2 1 345.537 3.126 20 0 EGADMP c1csc(C[NH+]2C[C@@H]3C[N@H+]([C@H]4CCc5ncsc5C4)C[C@@H]3C2)c1 ZINC001173133287 1384920458 /nfs/dbraw/zinc/92/04/58/1384920458.db2.gz NFBIMJWAZNMOHN-ZNMIVQPWSA-N 2 1 345.537 3.126 20 0 EGADMP c1csc(C[NH+]2C[C@@H]3C[N@@H+]([C@H]4CCc5ncsc5C4)C[C@@H]3C2)c1 ZINC001173133287 1384920460 /nfs/dbraw/zinc/92/04/60/1384920460.db2.gz NFBIMJWAZNMOHN-ZNMIVQPWSA-N 2 1 345.537 3.126 20 0 EGADMP CCc1ccc(C[C@H](C)[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1 ZINC001173248646 1384945043 /nfs/dbraw/zinc/94/50/43/1384945043.db2.gz WNHQJTDYDJPTNI-INIZCTEOSA-N 2 1 329.488 3.310 20 0 EGADMP CCCC[C@@H](CC(C)C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001173254316 1384945325 /nfs/dbraw/zinc/94/53/25/1384945325.db2.gz FOYZBMYJXKAZTI-FYQPLNBISA-N 2 1 347.551 3.278 20 0 EGADMP CCCC[C@@H](CC(C)C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001173254316 1384945328 /nfs/dbraw/zinc/94/53/28/1384945328.db2.gz FOYZBMYJXKAZTI-FYQPLNBISA-N 2 1 347.551 3.278 20 0 EGADMP CCCC[C@@H](CC(C)C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001173254316 1384945331 /nfs/dbraw/zinc/94/53/31/1384945331.db2.gz FOYZBMYJXKAZTI-FYQPLNBISA-N 2 1 347.551 3.278 20 0 EGADMP CC[N@@H+]1CC[C@@H](N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC001173365327 1384964403 /nfs/dbraw/zinc/96/44/03/1384964403.db2.gz FUTRNKCIVIRFQD-HXUWFJFHSA-N 2 1 329.532 3.196 20 0 EGADMP CC[N@H+]1CC[C@@H](N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC001173365327 1384964407 /nfs/dbraw/zinc/96/44/07/1384964407.db2.gz FUTRNKCIVIRFQD-HXUWFJFHSA-N 2 1 329.532 3.196 20 0 EGADMP COC(=O)CCCC[C@@H](C)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173443481 1384971106 /nfs/dbraw/zinc/97/11/06/1384971106.db2.gz QPHYJQQZMZJADH-BHIYHBOVSA-N 2 1 347.503 3.275 20 0 EGADMP CCOC(=O)[C@H]1CC12CCC([NH2+]CCC[N@H+]1CCCC[C@@H]1C)CC2 ZINC001173605678 1384986499 /nfs/dbraw/zinc/98/64/99/1384986499.db2.gz XRVOJBFGVCWNDX-SARBKMAYSA-N 2 1 336.520 3.353 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCC2)C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173667792 1385000635 /nfs/dbraw/zinc/00/06/35/1385000635.db2.gz VLSWGEVFENIRCL-CTYIDZIISA-N 2 1 333.442 3.138 20 0 EGADMP COC(=O)c1ccc(C[C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001173708425 1385006048 /nfs/dbraw/zinc/00/60/48/1385006048.db2.gz HYINVPHRPQIAFY-FGTMMUONSA-N 2 1 346.515 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC1CCC(C)(C)CC1 ZINC001317448471 1385148658 /nfs/dbraw/zinc/14/86/58/1385148658.db2.gz MWSYUBBZABCRAS-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)CC1CCC(C)(C)CC1 ZINC001317448471 1385148659 /nfs/dbraw/zinc/14/86/59/1385148659.db2.gz MWSYUBBZABCRAS-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001317448471 1385148660 /nfs/dbraw/zinc/14/86/60/1385148660.db2.gz MWSYUBBZABCRAS-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2C[C@H](O)Cc2ccccc2)CC1 ZINC001175352696 1385263593 /nfs/dbraw/zinc/26/35/93/1385263593.db2.gz QQLMDZGZVNOOJJ-NHCUHLMSSA-N 2 1 330.516 3.176 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH2+]CC[C@H](C)F ZINC001175528775 1385321735 /nfs/dbraw/zinc/32/17/35/1385321735.db2.gz LLIGSBZLPMAUAT-HOTGVXAUSA-N 2 1 340.487 3.019 20 0 EGADMP CC[C@H](F)C[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175529375 1385322405 /nfs/dbraw/zinc/32/24/05/1385322405.db2.gz VABOYZZCQWQEAI-HOTGVXAUSA-N 2 1 340.487 3.019 20 0 EGADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001175564428 1385332979 /nfs/dbraw/zinc/33/29/79/1385332979.db2.gz AMLNCLBPXSPWKV-KRWDZBQOSA-N 2 1 336.524 3.317 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl ZINC001175574044 1385336342 /nfs/dbraw/zinc/33/63/42/1385336342.db2.gz SYNULKKFLPCQDT-RIDHJDLKSA-N 2 1 343.943 3.266 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001176023851 1385464041 /nfs/dbraw/zinc/46/40/41/1385464041.db2.gz KDTCHKFEYNDMGB-IBGZPJMESA-N 2 1 347.547 3.410 20 0 EGADMP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001176120140 1385489372 /nfs/dbraw/zinc/48/93/72/1385489372.db2.gz JLQVFVAQUJYNAQ-PKOBYXMFSA-N 2 1 333.520 3.354 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176167436 1385501105 /nfs/dbraw/zinc/50/11/05/1385501105.db2.gz ZLIDVJZBWQTWSC-QUCCMNQESA-N 2 1 349.563 3.483 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001176268979 1385532594 /nfs/dbraw/zinc/53/25/94/1385532594.db2.gz OZCLQDPPVCXKAS-GOSISDBHSA-N 2 1 333.520 3.183 20 0 EGADMP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176285739 1385538637 /nfs/dbraw/zinc/53/86/37/1385538637.db2.gz QIEGTSKIVICZEW-CNZFZVQHSA-N 2 1 325.541 3.339 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCC1=CCCCC1 ZINC001176283927 1385538810 /nfs/dbraw/zinc/53/88/10/1385538810.db2.gz AZDGSSYRZBHGJC-SFHVURJKSA-N 2 1 337.552 3.483 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1csc(C)c1 ZINC001176286121 1385540071 /nfs/dbraw/zinc/54/00/71/1385540071.db2.gz UHXROAQATJVJKX-HNNXBMFYSA-N 2 1 339.549 3.163 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)C1)CC(C)(C)C ZINC001317984494 1385598969 /nfs/dbraw/zinc/59/89/69/1385598969.db2.gz CWDVUZYZWJZDDX-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)C1)CC(C)(C)C ZINC001317984494 1385598973 /nfs/dbraw/zinc/59/89/73/1385598973.db2.gz CWDVUZYZWJZDDX-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)C1)CC(C)(C)C ZINC001317984494 1385598976 /nfs/dbraw/zinc/59/89/76/1385598976.db2.gz CWDVUZYZWJZDDX-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001176563139 1385625325 /nfs/dbraw/zinc/62/53/25/1385625325.db2.gz BCTBPOLDHQMLFD-UYAOXDASSA-N 2 1 345.531 3.020 20 0 EGADMP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176564135 1385626655 /nfs/dbraw/zinc/62/66/55/1385626655.db2.gz LWMXLKCPDFYUAX-IAGOWNOFSA-N 2 1 325.541 3.029 20 0 EGADMP Cc1cc(C[NH2+]CCCC[C@@H](C)NC(=O)Cn2cc[nH+]c2C)cs1 ZINC001176591547 1385635161 /nfs/dbraw/zinc/63/51/61/1385635161.db2.gz LVRAIYGOHPHLCY-CQSZACIVSA-N 2 1 348.516 3.026 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC001176986406 1385765024 /nfs/dbraw/zinc/76/50/24/1385765024.db2.gz NDBSYHBSXKQVSG-QGZVFWFLSA-N 2 1 341.499 3.337 20 0 EGADMP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC001318582654 1385770826 /nfs/dbraw/zinc/77/08/26/1385770826.db2.gz SUQYSQISQKSCOK-AEFFLSMTSA-N 2 1 342.487 3.252 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC2CC[NH+](CC3CCC3)CC2)C1 ZINC001319032101 1385937980 /nfs/dbraw/zinc/93/79/80/1385937980.db2.gz UXYGFZPNFAGVOE-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001177440146 1385957253 /nfs/dbraw/zinc/95/72/53/1385957253.db2.gz AFFBSYMLVZIBEC-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001177440155 1385957670 /nfs/dbraw/zinc/95/76/70/1385957670.db2.gz BDRRQTRDTRHHPW-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCC1 ZINC001319353545 1386075921 /nfs/dbraw/zinc/07/59/21/1386075921.db2.gz NIPWPNRWOVYJSZ-SFHVURJKSA-N 2 1 335.536 3.070 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC001177972856 1386100590 /nfs/dbraw/zinc/10/05/90/1386100590.db2.gz ZMCOKBVIROJKKO-UHFFFAOYSA-N 2 1 348.516 3.117 20 0 EGADMP CC1CC(C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C2CCCCC2)C1 ZINC001319655114 1386235780 /nfs/dbraw/zinc/23/57/80/1386235780.db2.gz IZZCNTUQSHMKRN-UHYCVJNDSA-N 2 1 349.563 3.172 20 0 EGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001178526803 1386241021 /nfs/dbraw/zinc/24/10/21/1386241021.db2.gz CSOPKWGYLWTFHS-HMTUNPETSA-N 2 1 337.552 3.339 20 0 EGADMP C[N@@H+](CC(=O)NCCCCCC[NH2+]Cc1cccc(F)c1)C1CCC1 ZINC001178702371 1386283056 /nfs/dbraw/zinc/28/30/56/1386283056.db2.gz MWBPTJJXIWLSQG-UHFFFAOYSA-N 2 1 349.494 3.076 20 0 EGADMP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001178736313 1386292488 /nfs/dbraw/zinc/29/24/88/1386292488.db2.gz UQCIYVOBGDQDAE-QJFPOAGESA-N 2 1 346.519 3.332 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001178833419 1386322331 /nfs/dbraw/zinc/32/23/31/1386322331.db2.gz VHLBFCAHAPUKEJ-LJQANCHMSA-N 2 1 337.552 3.317 20 0 EGADMP C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001178832789 1386322592 /nfs/dbraw/zinc/32/25/92/1386322592.db2.gz KZXFVQLQAZNLLG-AZUAARDMSA-N 2 1 345.531 3.498 20 0 EGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178891390 1386340464 /nfs/dbraw/zinc/34/04/64/1386340464.db2.gz QYZOHWPSYUVHQG-OTWHNJEPSA-N 2 1 337.552 3.409 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001319879560 1386355518 /nfs/dbraw/zinc/35/55/18/1386355518.db2.gz HMAYTEZAFYNVEE-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC001319904478 1386379549 /nfs/dbraw/zinc/37/95/49/1386379549.db2.gz GOFAUTAIZQBDIK-IKGGRYGDSA-N 2 1 339.524 3.001 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]C/C=C\Cl)C1 ZINC001179357861 1386462266 /nfs/dbraw/zinc/46/22/66/1386462266.db2.gz NYUSVPQCZPQFKD-PXAMLJHWSA-N 2 1 343.943 3.127 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]C/C=C\Cl)C1 ZINC001179357862 1386462819 /nfs/dbraw/zinc/46/28/19/1386462819.db2.gz NYUSVPQCZPQFKD-SECOEOQKSA-N 2 1 343.943 3.127 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]C[C@@H](C)CC)C1 ZINC001179357849 1386462746 /nfs/dbraw/zinc/46/27/46/1386462746.db2.gz NJNCHZHANVZLMZ-OALUTQOASA-N 2 1 339.568 3.421 20 0 EGADMP C[C@H](c1ccccc1F)[N@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001320090745 1386504400 /nfs/dbraw/zinc/50/44/00/1386504400.db2.gz PKAFJYOYZBYQKK-QGZVFWFLSA-N 2 1 349.494 3.153 20 0 EGADMP C[C@H](c1ccccc1F)[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001320090745 1386504404 /nfs/dbraw/zinc/50/44/04/1386504404.db2.gz PKAFJYOYZBYQKK-QGZVFWFLSA-N 2 1 349.494 3.153 20 0 EGADMP C[NH+](C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCCC(C)(C)C)C2)CCC1 ZINC001320103436 1386514616 /nfs/dbraw/zinc/51/46/16/1386514616.db2.gz KMVURBYXAJEFBR-QZTJIDSGSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001179580251 1386521837 /nfs/dbraw/zinc/52/18/37/1386521837.db2.gz AVMNXSRQPFTRBF-GOSISDBHSA-N 2 1 349.563 3.317 20 0 EGADMP C[N@@H+](CC(=O)NCCCCCC[NH2+]CC1CCC1)CC(C)(C)C ZINC001179592593 1386526575 /nfs/dbraw/zinc/52/65/75/1386526575.db2.gz IZHAKTAWDQXEDZ-UHFFFAOYSA-N 2 1 325.541 3.031 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001179714492 1386562586 /nfs/dbraw/zinc/56/25/86/1386562586.db2.gz WWTMZNZEWOHPRR-QGZVFWFLSA-N 2 1 336.524 3.319 20 0 EGADMP O=C(NCCCCCC[NH2+]C/C=C\Cl)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179792607 1386588311 /nfs/dbraw/zinc/58/83/11/1386588311.db2.gz TWFMBNUEXUMYTJ-YZBXERDGSA-N 2 1 341.927 3.022 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]CC(C)C ZINC001179838537 1386602328 /nfs/dbraw/zinc/60/23/28/1386602328.db2.gz BLLJJOLKXNAWGL-UHFFFAOYSA-N 2 1 327.557 3.421 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2)[C@@H]1C ZINC001179983057 1386658147 /nfs/dbraw/zinc/65/81/47/1386658147.db2.gz KAAHJLRQRKMZCI-SNRMKQJTSA-N 2 1 349.494 3.198 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCCCCCC[NH2+]CCCC(C)(C)C)C1 ZINC001180060672 1386683821 /nfs/dbraw/zinc/68/38/21/1386683821.db2.gz KZGHJMLGILJTIY-GOSISDBHSA-N 2 1 339.568 3.421 20 0 EGADMP CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001180226745 1386738751 /nfs/dbraw/zinc/73/87/51/1386738751.db2.gz JXQSKCVVFQWOGK-PXNSSMCTSA-N 2 1 345.531 3.229 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001180260131 1386749489 /nfs/dbraw/zinc/74/94/89/1386749489.db2.gz UMRDYSZVMNMVQB-IBGZPJMESA-N 2 1 345.531 3.021 20 0 EGADMP Cc1cccc(C[NH2+]CCCCCCNC(=O)C[N@H+](C)C(C)C)c1 ZINC001180369352 1386775734 /nfs/dbraw/zinc/77/57/34/1386775734.db2.gz ALNIFWUFVBIIDW-UHFFFAOYSA-N 2 1 333.520 3.101 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001180369671 1386776939 /nfs/dbraw/zinc/77/69/39/1386776939.db2.gz RORFXOJPCFARQE-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@]1(C)C[NH2+]CCC1=CCCCC1 ZINC001180898927 1386893877 /nfs/dbraw/zinc/89/38/77/1386893877.db2.gz GVSJDMCQAIPDDE-SLYNCCJLSA-N 2 1 347.547 3.045 20 0 EGADMP CCOC(=O)c1c[nH+]ccc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001321548339 1386927457 /nfs/dbraw/zinc/92/74/57/1386927457.db2.gz HZUHLVJSKPIDHN-UHFFFAOYSA-N 2 1 345.487 3.351 20 0 EGADMP COc1cc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)ccn1 ZINC001181276599 1386971180 /nfs/dbraw/zinc/97/11/80/1386971180.db2.gz OTKAKVJNDHGFEU-LPHOPBHVSA-N 2 1 331.504 3.408 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1CCSCC1 ZINC001182424791 1387164486 /nfs/dbraw/zinc/16/44/86/1387164486.db2.gz WBNXPPPDACKWJB-WOJBJXKFSA-N 2 1 348.556 3.256 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1CCSCC1 ZINC001182424791 1387164488 /nfs/dbraw/zinc/16/44/88/1387164488.db2.gz WBNXPPPDACKWJB-WOJBJXKFSA-N 2 1 348.556 3.256 20 0 EGADMP CCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182590807 1387193205 /nfs/dbraw/zinc/19/32/05/1387193205.db2.gz UFXALOKBCSEHQF-QZTJIDSGSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001182775756 1387222572 /nfs/dbraw/zinc/22/25/72/1387222572.db2.gz PDAHMYBTTQWIFW-YLJYHZDGSA-N 2 1 346.519 3.047 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001329321717 1389061919 /nfs/dbraw/zinc/06/19/19/1389061919.db2.gz SUJBCSQGUKNBKV-PKOBYXMFSA-N 2 1 345.531 3.224 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC001329937273 1389266306 /nfs/dbraw/zinc/26/63/06/1389266306.db2.gz NQIHBNZGONGNMU-VQTJNVASSA-N 2 1 345.531 3.134 20 0 EGADMP CC[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001330030885 1389288581 /nfs/dbraw/zinc/28/85/81/1389288581.db2.gz HKLCPFVHMDBCQD-IAGOWNOFSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@](O)(C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)F ZINC001337856681 1389462109 /nfs/dbraw/zinc/46/21/09/1389462109.db2.gz WTEATARMDUFKJE-PHSGOXPASA-N 2 1 338.442 3.178 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001338019777 1389519247 /nfs/dbraw/zinc/51/92/47/1389519247.db2.gz FLSCXIYKBILXCZ-WMZOPIPTSA-N 2 1 349.544 3.218 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)N1CCN([C@H](C)c2ccsc2)CC1 ZINC001338019774 1389519404 /nfs/dbraw/zinc/51/94/04/1389519404.db2.gz FLSCXIYKBILXCZ-AEFFLSMTSA-N 2 1 349.544 3.218 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001331031516 1389603458 /nfs/dbraw/zinc/60/34/58/1389603458.db2.gz WNOUIPUVCLHQRI-HKUYNNGSSA-N 2 1 339.568 3.178 20 0 EGADMP CCC[N@@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001331069023 1389618560 /nfs/dbraw/zinc/61/85/60/1389618560.db2.gz QFGCOPHZQUBQGY-IBGZPJMESA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001331069023 1389618566 /nfs/dbraw/zinc/61/85/66/1389618566.db2.gz QFGCOPHZQUBQGY-IBGZPJMESA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)C1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001331069023 1389618572 /nfs/dbraw/zinc/61/85/72/1389618572.db2.gz QFGCOPHZQUBQGY-IBGZPJMESA-N 2 1 331.504 3.012 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC001338419406 1389680780 /nfs/dbraw/zinc/68/07/80/1389680780.db2.gz RRBOHTMGJCEDMR-HRAATJIYSA-N 2 1 335.451 3.435 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC2)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001332015448 1389946756 /nfs/dbraw/zinc/94/67/56/1389946756.db2.gz NHGBTEXWUDKRQE-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC001332725089 1390170476 /nfs/dbraw/zinc/17/04/76/1390170476.db2.gz PGXYWAJMCTVFQJ-GOSISDBHSA-N 2 1 331.504 3.017 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CC(C)(C)C[NH3+])c1 ZINC001340172047 1390242003 /nfs/dbraw/zinc/24/20/03/1390242003.db2.gz GEYOWHUDNREDJS-UHFFFAOYSA-N 2 1 328.460 3.368 20 0 EGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001340242672 1390257460 /nfs/dbraw/zinc/25/74/60/1390257460.db2.gz VZKAOLRPGGYZCK-RBUKOAKNSA-N 2 1 345.531 3.121 20 0 EGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]([NH3+])C(C)(C)C ZINC001340242670 1390257688 /nfs/dbraw/zinc/25/76/88/1390257688.db2.gz VZKAOLRPGGYZCK-MOPGFXCFSA-N 2 1 345.531 3.121 20 0 EGADMP FC(F)(F)c1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC001333600010 1390350004 /nfs/dbraw/zinc/35/00/04/1390350004.db2.gz YZXXADKEMZKLFV-HUUCEWRRSA-N 2 1 327.394 3.358 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]([NH3+])C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001341699208 1390518692 /nfs/dbraw/zinc/51/86/92/1390518692.db2.gz DMZPITLCXDOEFX-NZSAHSFTSA-N 2 1 345.531 3.261 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc([C@H]4CCCO4)s3)C[C@H]2C1 ZINC001335133199 1390646655 /nfs/dbraw/zinc/64/66/55/1390646655.db2.gz DQCONCTXWBQZJG-KCYZZUKISA-N 2 1 335.517 3.157 20 0 EGADMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1OC ZINC001335134560 1390647275 /nfs/dbraw/zinc/64/72/75/1390647275.db2.gz TUEHNHSBLWGSJK-KSZLIROESA-N 2 1 332.488 3.256 20 0 EGADMP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)sc2C1 ZINC001345956190 1390897150 /nfs/dbraw/zinc/89/71/50/1390897150.db2.gz MTAOSCMZSZRUNE-OWCLPIDISA-N 2 1 333.545 3.480 20 0 EGADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC3CC[NH+](C4CCCCC4)CC3)C[N@H+]2C1 ZINC001347980329 1391153471 /nfs/dbraw/zinc/15/34/71/1391153471.db2.gz ISTFIJFYDQNMIW-HLIPFELVSA-N 2 1 347.547 3.020 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CC1CCCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001488671251 1391700795 /nfs/dbraw/zinc/70/07/95/1391700795.db2.gz JSZCXBQVFVKVMI-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC/C=C/c2ccccc2)C1 ZINC001479913924 1392481668 /nfs/dbraw/zinc/48/16/68/1392481668.db2.gz YQVFMOCEPWXSCY-ACGJQVIASA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC/C=C/c2ccccc2)C1 ZINC001479913924 1392481669 /nfs/dbraw/zinc/48/16/69/1392481669.db2.gz YQVFMOCEPWXSCY-ACGJQVIASA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC001479913924 1392481671 /nfs/dbraw/zinc/48/16/71/1392481671.db2.gz YQVFMOCEPWXSCY-ACGJQVIASA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCCC2CCC2)C1)[NH+](C)C ZINC001480738870 1392905100 /nfs/dbraw/zinc/90/51/00/1392905100.db2.gz ISBPUFLLFGXBHT-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H](C)C[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001480975710 1393060978 /nfs/dbraw/zinc/06/09/78/1393060978.db2.gz ZRUUTPBQRBERQQ-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](C)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001480975710 1393060982 /nfs/dbraw/zinc/06/09/82/1393060982.db2.gz ZRUUTPBQRBERQQ-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](C)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001480975710 1393060988 /nfs/dbraw/zinc/06/09/88/1393060988.db2.gz ZRUUTPBQRBERQQ-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H](CC)[NH+](C)C)[C@H]1CCCc2ccccc21 ZINC001481139141 1393131028 /nfs/dbraw/zinc/13/10/28/1393131028.db2.gz GCWXBVVCVDSIIC-UXHICEINSA-N 2 1 345.531 3.232 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](CCNC(=O)C2([NH+](C)C)CCC2)C2CC2)c1 ZINC001481173283 1393141321 /nfs/dbraw/zinc/14/13/21/1393141321.db2.gz NZLQUQWGRRDTLF-QGZVFWFLSA-N 2 1 343.515 3.121 20 0 EGADMP C[N@@H+](CCC1CCCC1)C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481500888 1394346708 /nfs/dbraw/zinc/34/67/08/1394346708.db2.gz SOXGMZMCVAQZKQ-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@@H+](CCC(=O)NC1C[NH+](CC2CCCCC2)C1)C1CCCCC1 ZINC001481573173 1394411024 /nfs/dbraw/zinc/41/10/24/1394411024.db2.gz PGHAIZNPQTUAOH-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP CCc1cccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)[C@H](CC)[NH+](C)C)c1 ZINC001491230863 1394486356 /nfs/dbraw/zinc/48/63/56/1394486356.db2.gz QMNQBSOFLHBRKO-UXHICEINSA-N 2 1 345.531 3.060 20 0 EGADMP CCCC[NH+]1CCC(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001482051456 1394715005 /nfs/dbraw/zinc/71/50/05/1394715005.db2.gz CHGLGJKLKKUFQS-HXUWFJFHSA-N 2 1 345.531 3.308 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCCC(C)(C)C)C2)C1)[NH+](C)C ZINC001483847740 1395114404 /nfs/dbraw/zinc/11/44/04/1395114404.db2.gz OYYUKYGUFXUXLS-FXAWDEMLSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CC1CCCCC1 ZINC001484976098 1395614860 /nfs/dbraw/zinc/61/48/60/1395614860.db2.gz BGTKNYCFYBKWPK-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CC1CCCCC1 ZINC001484976096 1395616208 /nfs/dbraw/zinc/61/62/08/1395616208.db2.gz BGTKNYCFYBKWPK-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1ccccc1F ZINC001699001131 1406810441 /nfs/dbraw/zinc/81/04/41/1406810441.db2.gz JOJCZYDRUYHFKF-QFBILLFUSA-N 2 1 349.494 3.150 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1ccccc1F ZINC001699001131 1406810445 /nfs/dbraw/zinc/81/04/45/1406810445.db2.gz JOJCZYDRUYHFKF-QFBILLFUSA-N 2 1 349.494 3.150 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccccc1F ZINC001699001131 1406810448 /nfs/dbraw/zinc/81/04/48/1406810448.db2.gz JOJCZYDRUYHFKF-QFBILLFUSA-N 2 1 349.494 3.150 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC001699001131 1406810453 /nfs/dbraw/zinc/81/04/53/1406810453.db2.gz JOJCZYDRUYHFKF-QFBILLFUSA-N 2 1 349.494 3.150 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CC1CCC1 ZINC001493006335 1396331501 /nfs/dbraw/zinc/33/15/01/1396331501.db2.gz GVBFEYIENCVXGA-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)CC1CCC1 ZINC001493006335 1396331502 /nfs/dbraw/zinc/33/15/02/1396331502.db2.gz GVBFEYIENCVXGA-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)CC1CCC1 ZINC001493006335 1396331503 /nfs/dbraw/zinc/33/15/03/1396331503.db2.gz GVBFEYIENCVXGA-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001493830083 1396343429 /nfs/dbraw/zinc/34/34/29/1396343429.db2.gz MIIRSHLPPNHZGK-MRXNPFEDSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001494156049 1396387403 /nfs/dbraw/zinc/38/74/03/1396387403.db2.gz FCLWOCPLLMEALX-SJORKVTESA-N 2 1 349.494 3.009 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001494271988 1396415137 /nfs/dbraw/zinc/41/51/37/1396415137.db2.gz RRZDEYPXZYKDNV-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001494271988 1396415138 /nfs/dbraw/zinc/41/51/38/1396415138.db2.gz RRZDEYPXZYKDNV-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001494271988 1396415140 /nfs/dbraw/zinc/41/51/40/1396415140.db2.gz RRZDEYPXZYKDNV-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001498456515 1397003567 /nfs/dbraw/zinc/00/35/67/1397003567.db2.gz KOMGJEJLVPXVFY-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP C[N@@H+](CCC(=O)NC[C@H]1CCC[NH+](CC2CCC2)C1)C1CCCCC1 ZINC001690385213 1404517631 /nfs/dbraw/zinc/51/76/31/1404517631.db2.gz IYVPGZFQLINWMG-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CCC(=O)NC[C@H]1CCC[N@H+](CC2CCC2)C1)C1CCCCC1 ZINC001690385213 1404517638 /nfs/dbraw/zinc/51/76/38/1404517638.db2.gz IYVPGZFQLINWMG-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CCC(=O)NC[C@H]1CCC[N@@H+](CC2CCC2)C1)C1CCCCC1 ZINC001690385213 1404517643 /nfs/dbraw/zinc/51/76/43/1404517643.db2.gz IYVPGZFQLINWMG-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H](C(=O)NCC[N@@H+](C)[C@H](C)c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001690951631 1404860966 /nfs/dbraw/zinc/86/09/66/1404860966.db2.gz UFGDVUTXYRPSDJ-VQIMIIECSA-N 2 1 347.547 3.433 20 0 EGADMP CCc1ccccc1C[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001690981882 1404894106 /nfs/dbraw/zinc/89/41/06/1404894106.db2.gz IOIHDIWHJGGSHT-SFHVURJKSA-N 2 1 345.531 3.062 20 0 EGADMP C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+][C@H](C)c1ccccc1 ZINC001725505222 1426187458 /nfs/dbraw/zinc/18/74/58/1426187458.db2.gz KGYUXWKAOHTFTI-IAGOWNOFSA-N 2 1 333.520 3.162 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H]1C ZINC001725631046 1426299441 /nfs/dbraw/zinc/29/94/41/1426299441.db2.gz OEXCDPBHMKSYBZ-FUHWJXTLSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1C ZINC001725631046 1426299443 /nfs/dbraw/zinc/29/94/43/1426299443.db2.gz OEXCDPBHMKSYBZ-FUHWJXTLSA-N 2 1 339.568 3.370 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1C ZINC001725631046 1426299445 /nfs/dbraw/zinc/29/94/45/1426299445.db2.gz OEXCDPBHMKSYBZ-FUHWJXTLSA-N 2 1 339.568 3.370 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001691236891 1405177164 /nfs/dbraw/zinc/17/71/64/1405177164.db2.gz OCHJTSSUCCKXHI-GOSISDBHSA-N 2 1 343.515 3.204 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CCC1CCCC1)C(=O)C[NH+](C)CC(C)(C)C ZINC001691661160 1405393488 /nfs/dbraw/zinc/39/34/88/1405393488.db2.gz NHLPFYWZFIIDJH-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CCC1CCCC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001691661160 1405393495 /nfs/dbraw/zinc/39/34/95/1405393495.db2.gz NHLPFYWZFIIDJH-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CCC1CCCC1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001691661160 1405393500 /nfs/dbraw/zinc/39/35/00/1405393500.db2.gz NHLPFYWZFIIDJH-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCCCC1)CC(C)(C)C ZINC001692376178 1405982251 /nfs/dbraw/zinc/98/22/51/1405982251.db2.gz GSYKMYAQKYQRCI-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCCC1)CC(C)(C)C ZINC001692376178 1405982258 /nfs/dbraw/zinc/98/22/58/1405982258.db2.gz GSYKMYAQKYQRCI-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCCC1)CC(C)(C)C ZINC001692376178 1405982260 /nfs/dbraw/zinc/98/22/60/1405982260.db2.gz GSYKMYAQKYQRCI-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001698575177 1406183312 /nfs/dbraw/zinc/18/33/12/1406183312.db2.gz SAACOOFHVPDMLF-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](CC)c2ccccc2)C1 ZINC001698575177 1406183313 /nfs/dbraw/zinc/18/33/13/1406183313.db2.gz SAACOOFHVPDMLF-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC001698575177 1406183320 /nfs/dbraw/zinc/18/33/20/1406183320.db2.gz SAACOOFHVPDMLF-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001698576704 1406185675 /nfs/dbraw/zinc/18/56/75/1406185675.db2.gz YMOYYGFOHVIODH-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001698576704 1406185677 /nfs/dbraw/zinc/18/56/77/1406185677.db2.gz YMOYYGFOHVIODH-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001698576704 1406185680 /nfs/dbraw/zinc/18/56/80/1406185680.db2.gz YMOYYGFOHVIODH-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001732084866 1428343694 /nfs/dbraw/zinc/34/36/94/1428343694.db2.gz YLGRYCZYOTUEKX-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001732091219 1428357677 /nfs/dbraw/zinc/35/76/77/1428357677.db2.gz GXAUFWBJNYIZTB-BJLQDIEVSA-N 2 1 345.531 3.223 20 0 EGADMP CC[C@@H]([NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCC1)c1ccccc1 ZINC001732226599 1428475025 /nfs/dbraw/zinc/47/50/25/1428475025.db2.gz AJTARPLDXZQSRI-RTBURBONSA-N 2 1 343.515 3.251 20 0 EGADMP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001732224059 1428472761 /nfs/dbraw/zinc/47/27/61/1428472761.db2.gz QNZZLEZVVCWDGK-DYVFJYSZSA-N 2 1 348.878 3.091 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1 ZINC001732362518 1428548820 /nfs/dbraw/zinc/54/88/20/1428548820.db2.gz XHSVETMGLACSHA-IAGOWNOFSA-N 2 1 333.520 3.067 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001732485282 1428608365 /nfs/dbraw/zinc/60/83/65/1428608365.db2.gz HWIZAOQNNUGTAT-FUHWJXTLSA-N 2 1 339.568 3.227 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001699489649 1412886896 /nfs/dbraw/zinc/88/68/96/1412886896.db2.gz ZZLYGEGFAQUFRL-OALUTQOASA-N 2 1 337.552 3.173 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)C[C@@H]1C ZINC001699742476 1413153420 /nfs/dbraw/zinc/15/34/20/1413153420.db2.gz ZHJZKFFLKSIURF-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001699827180 1413254030 /nfs/dbraw/zinc/25/40/30/1413254030.db2.gz VNIUSTOCSHBBRS-WIYYLYMNSA-N 2 1 343.515 3.204 20 0 EGADMP CCCC[N@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001699877125 1413337269 /nfs/dbraw/zinc/33/72/69/1413337269.db2.gz QRADXPKLTXMQPS-OAQYLSRUSA-N 2 1 349.563 3.127 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001700196031 1413636726 /nfs/dbraw/zinc/63/67/26/1413636726.db2.gz QSRFRUPUATTWNY-GPMSIDNRSA-N 2 1 349.494 3.007 20 0 EGADMP C[C@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001700196031 1413636731 /nfs/dbraw/zinc/63/67/31/1413636731.db2.gz QSRFRUPUATTWNY-GPMSIDNRSA-N 2 1 349.494 3.007 20 0 EGADMP C[C@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001700196031 1413636734 /nfs/dbraw/zinc/63/67/34/1413636734.db2.gz QSRFRUPUATTWNY-GPMSIDNRSA-N 2 1 349.494 3.007 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CCCC(C)(C)C)[NH+](C)C ZINC001700363060 1413880906 /nfs/dbraw/zinc/88/09/06/1413880906.db2.gz IKNXLAIXDVAUJM-ROUUACIJSA-N 2 1 339.568 3.322 20 0 EGADMP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+](C)[C@H](C)c1ccccc1F ZINC001700477655 1414108597 /nfs/dbraw/zinc/10/85/97/1414108597.db2.gz SEMKCSSPDXXIQY-HZPDHXFCSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)c1ccccc1C ZINC001732582796 1428791029 /nfs/dbraw/zinc/79/10/29/1428791029.db2.gz ZXRYXWUHRWXGCF-AZUAARDMSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccccc1C ZINC001732582796 1428791032 /nfs/dbraw/zinc/79/10/32/1428791032.db2.gz ZXRYXWUHRWXGCF-AZUAARDMSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccccc1C ZINC001732582796 1428791037 /nfs/dbraw/zinc/79/10/37/1428791037.db2.gz ZXRYXWUHRWXGCF-AZUAARDMSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001733020569 1429139912 /nfs/dbraw/zinc/13/99/12/1429139912.db2.gz MNTZGXXCPPFCMR-IRXDYDNUSA-N 2 1 347.547 3.481 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001713089525 1417637281 /nfs/dbraw/zinc/63/72/81/1417637281.db2.gz BEDWVNARSUFGTJ-FQEVSTJZSA-N 2 1 349.563 3.413 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CC12CC[NH+](CCCC1CCC1)CC2)C1CCC1 ZINC001713093992 1417642067 /nfs/dbraw/zinc/64/20/67/1417642067.db2.gz BGGZYUAGLOLLEE-IBGZPJMESA-N 2 1 347.547 3.022 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001713113685 1417677017 /nfs/dbraw/zinc/67/70/17/1417677017.db2.gz URNYEWPDAHULOD-UZLBHIALSA-N 2 1 343.515 3.025 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001713113683 1417677165 /nfs/dbraw/zinc/67/71/65/1417677165.db2.gz URNYEWPDAHULOD-OXJNMPFZSA-N 2 1 343.515 3.025 20 0 EGADMP CCc1ccccc1C[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001713396044 1418012777 /nfs/dbraw/zinc/01/27/77/1418012777.db2.gz UASSMPGUUCGCIF-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@H](CC)c1ccc(F)cc1 ZINC001713517136 1418253904 /nfs/dbraw/zinc/25/39/04/1418253904.db2.gz CZSGCYNOZRRJNH-RTBURBONSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1[C@H](CC)c1ccc(F)cc1 ZINC001713517136 1418253905 /nfs/dbraw/zinc/25/39/05/1418253905.db2.gz CZSGCYNOZRRJNH-RTBURBONSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1[C@H](CC)c1ccc(F)cc1 ZINC001713517136 1418253917 /nfs/dbraw/zinc/25/39/17/1418253917.db2.gz CZSGCYNOZRRJNH-RTBURBONSA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001713530352 1418278926 /nfs/dbraw/zinc/27/89/26/1418278926.db2.gz DLCXKCGWXFZNNV-FXAWDEMLSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001713530352 1418278935 /nfs/dbraw/zinc/27/89/35/1418278935.db2.gz DLCXKCGWXFZNNV-FXAWDEMLSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001713530352 1418278939 /nfs/dbraw/zinc/27/89/39/1418278939.db2.gz DLCXKCGWXFZNNV-FXAWDEMLSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001713538432 1418295102 /nfs/dbraw/zinc/29/51/02/1418295102.db2.gz LLLTVJHOVVGIGL-ROUUACIJSA-N 2 1 348.535 3.127 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001713538432 1418295110 /nfs/dbraw/zinc/29/51/10/1418295110.db2.gz LLLTVJHOVVGIGL-ROUUACIJSA-N 2 1 348.535 3.127 20 0 EGADMP CC1CC[NH+](CC(=O)N2CC[C@@H](C[N@@H+](C)CCC3CCCC3)C2)CC1 ZINC001713757922 1418563414 /nfs/dbraw/zinc/56/34/14/1418563414.db2.gz NCIUTHGYVCHQAM-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713838117 1418635426 /nfs/dbraw/zinc/63/54/26/1418635426.db2.gz ZOBPXKCIPKLGMB-FXAWDEMLSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001713838117 1418635428 /nfs/dbraw/zinc/63/54/28/1418635428.db2.gz ZOBPXKCIPKLGMB-FXAWDEMLSA-N 2 1 349.563 3.266 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1ccc(C)c(C)c1 ZINC001714117543 1418920786 /nfs/dbraw/zinc/92/07/86/1418920786.db2.gz YUFSLRFIPBDSHF-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C)c(C)c1 ZINC001714117543 1418920790 /nfs/dbraw/zinc/92/07/90/1418920790.db2.gz YUFSLRFIPBDSHF-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C)c(C)c1 ZINC001714117543 1418920794 /nfs/dbraw/zinc/92/07/94/1418920794.db2.gz YUFSLRFIPBDSHF-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP O=C(CCC[NH+]1CCCC1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001714118418 1418923217 /nfs/dbraw/zinc/92/32/17/1418923217.db2.gz RJGMTOFVPRXHEJ-FQEVSTJZSA-N 2 1 343.515 3.033 20 0 EGADMP Cc1ccc(C[N@H+](C)CCNC(=O)[C@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC001714564769 1419292827 /nfs/dbraw/zinc/29/28/27/1419292827.db2.gz LYBHCUIFYXFGMR-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP Cc1ccc(C[N@H+](C)CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC001714564770 1419293113 /nfs/dbraw/zinc/29/31/13/1419293113.db2.gz LYBHCUIFYXFGMR-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001714590378 1419337125 /nfs/dbraw/zinc/33/71/25/1419337125.db2.gz WAHSHPFCLWBNMK-IBGZPJMESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCCC1 ZINC001714619430 1419384631 /nfs/dbraw/zinc/38/46/31/1419384631.db2.gz PBYZGAFUIFTVPN-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCCCC1 ZINC001714619430 1419384634 /nfs/dbraw/zinc/38/46/34/1419384634.db2.gz PBYZGAFUIFTVPN-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCCCC1 ZINC001714619430 1419384637 /nfs/dbraw/zinc/38/46/37/1419384637.db2.gz PBYZGAFUIFTVPN-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC001714813734 1419524653 /nfs/dbraw/zinc/52/46/53/1419524653.db2.gz HSGKYVRKOASPBD-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCCC(C)(C)C)C2)cc1 ZINC001715005244 1419735087 /nfs/dbraw/zinc/73/50/87/1419735087.db2.gz APIOOSSVTBCAEQ-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001715024158 1419755865 /nfs/dbraw/zinc/75/58/65/1419755865.db2.gz QKZHQANXYQKTMB-LJQANCHMSA-N 2 1 345.531 3.185 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(CC)[C@@H]1CC[NH+](Cc2ccccc2C)C1 ZINC001715047329 1419788117 /nfs/dbraw/zinc/78/81/17/1419788117.db2.gz PWTFODZTPZWBQH-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001715047329 1419788119 /nfs/dbraw/zinc/78/81/19/1419788119.db2.gz PWTFODZTPZWBQH-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001715047329 1419788121 /nfs/dbraw/zinc/78/81/21/1419788121.db2.gz PWTFODZTPZWBQH-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1C ZINC001715225339 1419958469 /nfs/dbraw/zinc/95/84/69/1419958469.db2.gz CWPFAWWFRYGNBJ-OXJNMPFZSA-N 2 1 345.531 3.018 20 0 EGADMP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1C ZINC001715225348 1419959050 /nfs/dbraw/zinc/95/90/50/1419959050.db2.gz CWPFAWWFRYGNBJ-UZLBHIALSA-N 2 1 345.531 3.018 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)[C@@H](C)C1 ZINC001715422347 1420113994 /nfs/dbraw/zinc/11/39/94/1420113994.db2.gz PLFOGZDDMZWZPO-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CCC1CCCC1 ZINC001715526367 1420215153 /nfs/dbraw/zinc/21/51/53/1420215153.db2.gz YDJCUZIURZGCJI-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)CCC1CCCC1 ZINC001715526367 1420215155 /nfs/dbraw/zinc/21/51/55/1420215155.db2.gz YDJCUZIURZGCJI-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CCC1CCCC1 ZINC001715526367 1420215157 /nfs/dbraw/zinc/21/51/57/1420215157.db2.gz YDJCUZIURZGCJI-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)c1ccccc1C[N@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001715536652 1420232273 /nfs/dbraw/zinc/23/22/73/1420232273.db2.gz LRCQIDPHCZTFIW-FQEVSTJZSA-N 2 1 347.547 3.286 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@H](CC[NH+]2CC2CCCCCC2)C1 ZINC001715548333 1420244828 /nfs/dbraw/zinc/24/48/28/1420244828.db2.gz KXKCNYWPLCZEPR-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC2CCCCCC2)C1 ZINC001715548333 1420244829 /nfs/dbraw/zinc/24/48/29/1420244829.db2.gz KXKCNYWPLCZEPR-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC2CCCCCC2)C1 ZINC001715548333 1420244834 /nfs/dbraw/zinc/24/48/34/1420244834.db2.gz KXKCNYWPLCZEPR-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001715950152 1420417284 /nfs/dbraw/zinc/41/72/84/1420417284.db2.gz QHNMDERDARCXKV-SJORKVTESA-N 2 1 333.520 3.128 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001716501120 1420728012 /nfs/dbraw/zinc/72/80/12/1420728012.db2.gz ALJGUMRIHMRBIR-IAGOWNOFSA-N 2 1 345.531 3.015 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001716501120 1420728016 /nfs/dbraw/zinc/72/80/16/1420728016.db2.gz ALJGUMRIHMRBIR-IAGOWNOFSA-N 2 1 345.531 3.015 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001716501120 1420728019 /nfs/dbraw/zinc/72/80/19/1420728019.db2.gz ALJGUMRIHMRBIR-IAGOWNOFSA-N 2 1 345.531 3.015 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCC1CCC1)C2 ZINC001733287724 1429463156 /nfs/dbraw/zinc/46/31/56/1429463156.db2.gz GHMJXQBTKUTYOV-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001717366380 1421301852 /nfs/dbraw/zinc/30/18/52/1421301852.db2.gz ZDQPTMXVXWZQGG-INIZCTEOSA-N 2 1 337.533 3.146 20 0 EGADMP Cc1ccccc1C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001717455029 1421384656 /nfs/dbraw/zinc/38/46/56/1421384656.db2.gz VFZWCQPURHHETO-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)[C@H](C)c1ccccc1F ZINC001717500820 1421444541 /nfs/dbraw/zinc/44/45/41/1421444541.db2.gz YEWTWQAAXFAJRS-IAGOWNOFSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001733413454 1429615877 /nfs/dbraw/zinc/61/58/77/1429615877.db2.gz RWDWJXOGNKDOQH-NRFANRHFSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001733413454 1429615881 /nfs/dbraw/zinc/61/58/81/1429615881.db2.gz RWDWJXOGNKDOQH-NRFANRHFSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001733413454 1429615884 /nfs/dbraw/zinc/61/58/84/1429615884.db2.gz RWDWJXOGNKDOQH-NRFANRHFSA-N 2 1 345.531 3.116 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+][C@H](C)c2ccccc2C)C1 ZINC001733444051 1429652843 /nfs/dbraw/zinc/65/28/43/1429652843.db2.gz VZJJSLIXRAPFGH-NQIIRXRSSA-N 2 1 345.531 3.226 20 0 EGADMP CC(C)[C@H](C(=O)NCC[N@@H+](CC1CC1)C1CCCCCC1)[NH+](C)C ZINC001723639069 1424502412 /nfs/dbraw/zinc/50/24/12/1424502412.db2.gz AMXQRCPKGXYLNS-LJQANCHMSA-N 2 1 337.552 3.124 20 0 EGADMP CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@H](C)C2)cc1 ZINC001723876112 1424595139 /nfs/dbraw/zinc/59/51/39/1424595139.db2.gz PVODMBJCKYFFPA-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC(CC)C[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001724016944 1424631004 /nfs/dbraw/zinc/63/10/04/1424631004.db2.gz WIHQBMVFIMFISL-UHFFFAOYSA-N 2 1 348.535 3.413 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@]1(C)CCC[NH+](CC2CCCCC2)C1)C1CCC1 ZINC001724322835 1424809646 /nfs/dbraw/zinc/80/96/46/1424809646.db2.gz HNIUOMMNSNPPMR-OAQYLSRUSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NC[C@@]1(C)CCC[N@H+](CC2CCCCC2)C1)C1CCC1 ZINC001724322835 1424809650 /nfs/dbraw/zinc/80/96/50/1424809650.db2.gz HNIUOMMNSNPPMR-OAQYLSRUSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NC[C@@]1(C)CCC[N@@H+](CC2CCCCC2)C1)C1CCC1 ZINC001724322835 1424809659 /nfs/dbraw/zinc/80/96/59/1424809659.db2.gz HNIUOMMNSNPPMR-OAQYLSRUSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001724943434 1425327917 /nfs/dbraw/zinc/32/79/17/1425327917.db2.gz GQBXPLBHQHRBBM-MJGOQNOKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC001725000901 1425409708 /nfs/dbraw/zinc/40/97/08/1425409708.db2.gz UZIUEFJBZSAECX-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC001725000901 1425409711 /nfs/dbraw/zinc/40/97/11/1425409711.db2.gz UZIUEFJBZSAECX-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC001725000901 1425409714 /nfs/dbraw/zinc/40/97/14/1425409714.db2.gz UZIUEFJBZSAECX-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccccc1C ZINC001725053857 1425487934 /nfs/dbraw/zinc/48/79/34/1425487934.db2.gz PDZHZJSFDKIERC-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1C ZINC001725053857 1425487937 /nfs/dbraw/zinc/48/79/37/1425487937.db2.gz PDZHZJSFDKIERC-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1C ZINC001725053857 1425487938 /nfs/dbraw/zinc/48/79/38/1425487938.db2.gz PDZHZJSFDKIERC-FQEVSTJZSA-N 2 1 345.531 3.150 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1)CC(C)(C)C ZINC001725244786 1425861617 /nfs/dbraw/zinc/86/16/17/1425861617.db2.gz YSBGNDVYANYCLX-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CC1)CC(C)(C)C ZINC001725244786 1425861628 /nfs/dbraw/zinc/86/16/28/1425861628.db2.gz YSBGNDVYANYCLX-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCCCC[N@H+]1CCC1CC1)CC(C)(C)C ZINC001725244786 1425861638 /nfs/dbraw/zinc/86/16/38/1425861638.db2.gz YSBGNDVYANYCLX-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)CCCC(C)(C)C)CC2)CC[N@H+]1C ZINC001725422010 1426071990 /nfs/dbraw/zinc/07/19/90/1426071990.db2.gz MAJXEWJBVBXKHG-SJLPKXTDSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)CCCC(C)(C)C)CC2)CC[NH+]1C ZINC001725422010 1426072008 /nfs/dbraw/zinc/07/20/08/1426072008.db2.gz MAJXEWJBVBXKHG-SJLPKXTDSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)CCCC(C)(C)C)CC2)CC[NH+]1C ZINC001725422010 1426072014 /nfs/dbraw/zinc/07/20/14/1426072014.db2.gz MAJXEWJBVBXKHG-SJLPKXTDSA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1CC1CCCCCC1 ZINC001725623133 1426289045 /nfs/dbraw/zinc/28/90/45/1426289045.db2.gz ILXWOEBSXUJMHC-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2c(C)cccc2C)[C@H]1C ZINC001725627491 1426294572 /nfs/dbraw/zinc/29/45/72/1426294572.db2.gz LNDCFRPHDMBWGW-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2c(C)cccc2C)[C@H]1C ZINC001725627491 1426294577 /nfs/dbraw/zinc/29/45/77/1426294577.db2.gz LNDCFRPHDMBWGW-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2c(C)cccc2C)[C@H]1C ZINC001725627491 1426294578 /nfs/dbraw/zinc/29/45/78/1426294578.db2.gz LNDCFRPHDMBWGW-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001731561908 1427598633 /nfs/dbraw/zinc/59/86/33/1427598633.db2.gz OOGVBZQVUDVMJC-AEFFLSMTSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001731561908 1427598639 /nfs/dbraw/zinc/59/86/39/1427598639.db2.gz OOGVBZQVUDVMJC-AEFFLSMTSA-N 2 1 348.535 3.235 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001731678627 1427726382 /nfs/dbraw/zinc/72/63/82/1427726382.db2.gz CYHDQHVWVUJUES-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@H+]2CCC2CCCCCC2)CCC1 ZINC001731829538 1428037038 /nfs/dbraw/zinc/03/70/38/1428037038.db2.gz QUWZTBNKBGERGP-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP O=C(CCC[NH+]1CCCC1)NC[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001731859805 1428097380 /nfs/dbraw/zinc/09/73/80/1428097380.db2.gz GGVSJVOZVHIJGW-HXUWFJFHSA-N 2 1 349.563 3.271 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](CC)c1ccccc1 ZINC001731864489 1428109348 /nfs/dbraw/zinc/10/93/48/1428109348.db2.gz KXFPEWHNTJSEMM-RLLQIKCJSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H](CC)c1ccccc1 ZINC001731864489 1428109354 /nfs/dbraw/zinc/10/93/54/1428109354.db2.gz KXFPEWHNTJSEMM-RLLQIKCJSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H](CC)c1ccccc1 ZINC001731864489 1428109355 /nfs/dbraw/zinc/10/93/55/1428109355.db2.gz KXFPEWHNTJSEMM-RLLQIKCJSA-N 2 1 345.531 3.306 20 0 EGADMP O=C(NCC[N@@H+](CCC1CC1)C1CC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001731880791 1428150845 /nfs/dbraw/zinc/15/08/45/1428150845.db2.gz USQIVVUJVVDGDM-HXUWFJFHSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NCC[NH+](CCC1CC1)C1CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001731880791 1428150846 /nfs/dbraw/zinc/15/08/46/1428150846.db2.gz USQIVVUJVVDGDM-HXUWFJFHSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NCC[NH+](CCC1CC1)C1CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001731880791 1428150851 /nfs/dbraw/zinc/15/08/51/1428150851.db2.gz USQIVVUJVVDGDM-HXUWFJFHSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCN(C)C(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001731918961 1428170440 /nfs/dbraw/zinc/17/04/40/1428170440.db2.gz GSUCKDMVBMGXFF-QGZVFWFLSA-N 2 1 345.531 3.403 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001733780501 1430042821 /nfs/dbraw/zinc/04/28/21/1430042821.db2.gz GMZDVLPSYDWLPZ-LJQANCHMSA-N 2 1 342.487 3.123 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001733780501 1430042824 /nfs/dbraw/zinc/04/28/24/1430042824.db2.gz GMZDVLPSYDWLPZ-LJQANCHMSA-N 2 1 342.487 3.123 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001733783160 1430052402 /nfs/dbraw/zinc/05/24/02/1430052402.db2.gz WPYQHTZKFCMTLG-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CC1CCCCCC1 ZINC001733897143 1437714103 /nfs/dbraw/zinc/71/41/03/1437714103.db2.gz CFCDHFXIDYRKDG-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)[C@H](C)c1ccc(F)cc1 ZINC001733936173 1437750170 /nfs/dbraw/zinc/75/01/70/1437750170.db2.gz APIKTNVEFLZEMO-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001733936173 1437750172 /nfs/dbraw/zinc/75/01/72/1437750172.db2.gz APIKTNVEFLZEMO-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001733936173 1437750175 /nfs/dbraw/zinc/75/01/75/1437750175.db2.gz APIKTNVEFLZEMO-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001734425083 1438091389 /nfs/dbraw/zinc/09/13/89/1438091389.db2.gz PXKSRDRVDKGUKA-MJGOQNOKSA-N 2 1 345.531 3.052 20 0 EGADMP Cc1cccc(C[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001752124477 1440143017 /nfs/dbraw/zinc/14/30/17/1440143017.db2.gz LGWROGIOKUGFDS-HXUWFJFHSA-N 2 1 345.531 3.054 20 0 EGADMP CC(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001752158161 1440147902 /nfs/dbraw/zinc/14/79/02/1440147902.db2.gz UCIZUWQJWUGZGW-UYAOXDASSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001752158161 1440147903 /nfs/dbraw/zinc/14/79/03/1440147903.db2.gz UCIZUWQJWUGZGW-UYAOXDASSA-N 2 1 345.531 3.134 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)Cc1ccsc1 ZINC001752219416 1440156268 /nfs/dbraw/zinc/15/62/68/1440156268.db2.gz JNPIZDQHGNZCQP-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)Cc1ccsc1 ZINC001752219416 1440156270 /nfs/dbraw/zinc/15/62/70/1440156270.db2.gz JNPIZDQHGNZCQP-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP CC[NH+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)Cc1ccsc1 ZINC001752219416 1440156271 /nfs/dbraw/zinc/15/62/71/1440156271.db2.gz JNPIZDQHGNZCQP-ROUUACIJSA-N 2 1 349.544 3.093 20 0 EGADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CCCCCF)C1)c1ccccc1 ZINC001752335266 1440171725 /nfs/dbraw/zinc/17/17/25/1440171725.db2.gz HZQKEKMYPPBBAO-MOPGFXCFSA-N 2 1 349.494 3.010 20 0 EGADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCCCCF)C1)c1ccccc1 ZINC001752335266 1440171727 /nfs/dbraw/zinc/17/17/27/1440171727.db2.gz HZQKEKMYPPBBAO-MOPGFXCFSA-N 2 1 349.494 3.010 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1)c1cccc(Cl)c1 ZINC001752733747 1440204222 /nfs/dbraw/zinc/20/42/22/1440204222.db2.gz YZIYJHBTRNAJEJ-XYPHTWIQSA-N 2 1 349.906 3.122 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001752789326 1440213159 /nfs/dbraw/zinc/21/31/59/1440213159.db2.gz YICONCHWFOUABA-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC001752789326 1440213160 /nfs/dbraw/zinc/21/31/60/1440213160.db2.gz YICONCHWFOUABA-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001752789326 1440213161 /nfs/dbraw/zinc/21/31/61/1440213161.db2.gz YICONCHWFOUABA-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@H+]2CCC2CCCCC2)CCC1 ZINC001752820683 1440220361 /nfs/dbraw/zinc/22/03/61/1440220361.db2.gz GXPJOMKRFZQAGA-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001752823129 1440221972 /nfs/dbraw/zinc/22/19/72/1440221972.db2.gz VZQJWEKZBVMJBB-RTBURBONSA-N 2 1 337.552 3.410 20 0 EGADMP CCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001752823129 1440221973 /nfs/dbraw/zinc/22/19/73/1440221973.db2.gz VZQJWEKZBVMJBB-RTBURBONSA-N 2 1 337.552 3.410 20 0 EGADMP CCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001752823129 1440221974 /nfs/dbraw/zinc/22/19/74/1440221974.db2.gz VZQJWEKZBVMJBB-RTBURBONSA-N 2 1 337.552 3.410 20 0 EGADMP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001752839236 1440229600 /nfs/dbraw/zinc/22/96/00/1440229600.db2.gz CRIHCWWHAFPPGY-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001752841140 1440230507 /nfs/dbraw/zinc/23/05/07/1440230507.db2.gz OBJKETAASSKAFO-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001752850567 1440233568 /nfs/dbraw/zinc/23/35/68/1440233568.db2.gz VAEYQLGCSDIRSB-XKYKYTBYSA-N 2 1 349.563 3.480 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC001752875558 1440237899 /nfs/dbraw/zinc/23/78/99/1440237899.db2.gz KJBZRRRENPDBFP-KGLIPLIRSA-N 2 1 348.516 3.061 20 0 EGADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001752880833 1440238864 /nfs/dbraw/zinc/23/88/64/1440238864.db2.gz ZHUCZJPFHIRHNF-LPHOPBHVSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001752903495 1440243544 /nfs/dbraw/zinc/24/35/44/1440243544.db2.gz PQHLIKYBINRVLT-MJGOQNOKSA-N 2 1 337.552 3.314 20 0 EGADMP Cc1cccc([C@H](C)[NH+](C)[C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001752999439 1440263697 /nfs/dbraw/zinc/26/36/97/1440263697.db2.gz ADMHXPQMVNTNED-ICSRJNTNSA-N 2 1 345.531 3.319 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)[C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001752999439 1440263698 /nfs/dbraw/zinc/26/36/98/1440263698.db2.gz ADMHXPQMVNTNED-ICSRJNTNSA-N 2 1 345.531 3.319 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)[C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001752999439 1440263699 /nfs/dbraw/zinc/26/36/99/1440263699.db2.gz ADMHXPQMVNTNED-ICSRJNTNSA-N 2 1 345.531 3.319 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001753027309 1440271656 /nfs/dbraw/zinc/27/16/56/1440271656.db2.gz IEGZPPQXYFJOOL-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001753027309 1440271657 /nfs/dbraw/zinc/27/16/57/1440271657.db2.gz IEGZPPQXYFJOOL-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001753027309 1440271658 /nfs/dbraw/zinc/27/16/58/1440271658.db2.gz IEGZPPQXYFJOOL-QUCCMNQESA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC=C(C)C ZINC001753027189 1440271716 /nfs/dbraw/zinc/27/17/16/1440271716.db2.gz FWGDNKAVKARFDM-MOPGFXCFSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC=C(C)C ZINC001753027189 1440271717 /nfs/dbraw/zinc/27/17/17/1440271717.db2.gz FWGDNKAVKARFDM-MOPGFXCFSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC=C(C)C ZINC001753027189 1440271718 /nfs/dbraw/zinc/27/17/18/1440271718.db2.gz FWGDNKAVKARFDM-MOPGFXCFSA-N 2 1 335.536 3.188 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NCC[N@@H+](C)CCC1CCCC1 ZINC001753050061 1440279073 /nfs/dbraw/zinc/27/90/73/1440279073.db2.gz FMFGSUUKBQMRPB-UHFFFAOYSA-N 2 1 337.533 3.052 20 0 EGADMP C[N@@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CC1CCCCCC1 ZINC001753052893 1440280167 /nfs/dbraw/zinc/28/01/67/1440280167.db2.gz JEYMBQSGTWBGGA-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)CC1CCCCCC1 ZINC001753052893 1440280168 /nfs/dbraw/zinc/28/01/68/1440280168.db2.gz JEYMBQSGTWBGGA-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)CC1CCCCCC1 ZINC001753052893 1440280169 /nfs/dbraw/zinc/28/01/69/1440280169.db2.gz JEYMBQSGTWBGGA-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)Cc1cc2ccccc2s1 ZINC001753094569 1440301743 /nfs/dbraw/zinc/30/17/43/1440301743.db2.gz DNLJCWRLAPBEFI-UHFFFAOYSA-N 2 1 347.528 3.180 20 0 EGADMP CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)Cc1cc2ccccc2s1 ZINC001753094569 1440301744 /nfs/dbraw/zinc/30/17/44/1440301744.db2.gz DNLJCWRLAPBEFI-UHFFFAOYSA-N 2 1 347.528 3.180 20 0 EGADMP CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)Cc1cc2ccccc2s1 ZINC001753094569 1440301745 /nfs/dbraw/zinc/30/17/45/1440301745.db2.gz DNLJCWRLAPBEFI-UHFFFAOYSA-N 2 1 347.528 3.180 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+]2CCC[C@H]2CNC(=O)C[N@H+](C)C(C)C)c1 ZINC001753118416 1440312570 /nfs/dbraw/zinc/31/25/70/1440312570.db2.gz HUOXKKIXWVOIOA-OALUTQOASA-N 2 1 345.531 3.285 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+]2CCC[C@H]2CNC(=O)C[NH+](C)C(C)C)c1 ZINC001753118416 1440312571 /nfs/dbraw/zinc/31/25/71/1440312571.db2.gz HUOXKKIXWVOIOA-OALUTQOASA-N 2 1 345.531 3.285 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@@H+]2CCC[C@H]2CNC(=O)C[NH+](C)C(C)C)c1 ZINC001753118416 1440312572 /nfs/dbraw/zinc/31/25/72/1440312572.db2.gz HUOXKKIXWVOIOA-OALUTQOASA-N 2 1 345.531 3.285 20 0 EGADMP CCC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@H](C)c1ccccc1C ZINC001753147359 1440325174 /nfs/dbraw/zinc/32/51/74/1440325174.db2.gz ANFIXLQAKMYRQQ-IEBWSBKVSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H](C)c1ccccc1C ZINC001753147359 1440325175 /nfs/dbraw/zinc/32/51/75/1440325175.db2.gz ANFIXLQAKMYRQQ-IEBWSBKVSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[C@H](C)c1ccccc1C ZINC001753147359 1440325176 /nfs/dbraw/zinc/32/51/76/1440325176.db2.gz ANFIXLQAKMYRQQ-IEBWSBKVSA-N 2 1 345.531 3.226 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)CC[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC001753236638 1440341750 /nfs/dbraw/zinc/34/17/50/1440341750.db2.gz BJHPSVGEQZIZQS-QZTJIDSGSA-N 2 1 348.535 3.271 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001753254777 1440343530 /nfs/dbraw/zinc/34/35/30/1440343530.db2.gz NDDRPMKWZQTGGT-QGZVFWFLSA-N 2 1 347.547 3.435 20 0 EGADMP CCC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001753281322 1440347532 /nfs/dbraw/zinc/34/75/32/1440347532.db2.gz XZYRAINSLWLFRG-PWBPZBFBSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001753281320 1440347559 /nfs/dbraw/zinc/34/75/59/1440347559.db2.gz XZYRAINSLWLFRG-LXORQPIJSA-N 2 1 349.563 3.291 20 0 EGADMP CCCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001753326193 1440366884 /nfs/dbraw/zinc/36/68/84/1440366884.db2.gz GIHOTXMTNNXNJE-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001753328459 1440367790 /nfs/dbraw/zinc/36/77/90/1440367790.db2.gz TWNSNEOXAHSJNY-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001753328459 1440367791 /nfs/dbraw/zinc/36/77/91/1440367791.db2.gz TWNSNEOXAHSJNY-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001753328459 1440367792 /nfs/dbraw/zinc/36/77/92/1440367792.db2.gz TWNSNEOXAHSJNY-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C/CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001753364023 1440384150 /nfs/dbraw/zinc/38/41/50/1440384150.db2.gz MEUNRXDQZZEELM-YJJPMGAVSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001753364023 1440384151 /nfs/dbraw/zinc/38/41/51/1440384151.db2.gz MEUNRXDQZZEELM-YJJPMGAVSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001753364023 1440384152 /nfs/dbraw/zinc/38/41/52/1440384152.db2.gz MEUNRXDQZZEELM-YJJPMGAVSA-N 2 1 349.563 3.388 20 0 EGADMP C[N@@H+](CCC(C)(C)C)CC1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001753367458 1440386187 /nfs/dbraw/zinc/38/61/87/1440386187.db2.gz KPKWETGVGQSOHC-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCC(C)(C)C)CC1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001753367458 1440386188 /nfs/dbraw/zinc/38/61/88/1440386188.db2.gz KPKWETGVGQSOHC-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCC(C)(C)C)CC1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001753367458 1440386189 /nfs/dbraw/zinc/38/61/89/1440386189.db2.gz KPKWETGVGQSOHC-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001753385978 1440388366 /nfs/dbraw/zinc/38/83/66/1440388366.db2.gz OQSWJXOQXBDATR-MRXNPFEDSA-N 2 1 345.531 3.187 20 0 EGADMP CCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001753462779 1440411647 /nfs/dbraw/zinc/41/16/47/1440411647.db2.gz XHMZEPOCPRHXLY-LJQANCHMSA-N 2 1 349.563 3.388 20 0 EGADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)[NH2+]Cc1c(C)cccc1C ZINC001753471389 1440414063 /nfs/dbraw/zinc/41/40/63/1440414063.db2.gz LUPQCFXNZICWDN-UYAOXDASSA-N 2 1 345.531 3.161 20 0 EGADMP CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccccc1C1CC1 ZINC001753477554 1440415594 /nfs/dbraw/zinc/41/55/94/1440415594.db2.gz DYEOOUPOEMHTEN-AZUAARDMSA-N 2 1 343.515 3.033 20 0 EGADMP CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001753478486 1440415788 /nfs/dbraw/zinc/41/57/88/1440415788.db2.gz KQNFOIDAXKRIQB-ZWKOTPCHSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](CC)[NH2+]CC2=CCCCC2)C1 ZINC001753484098 1440417354 /nfs/dbraw/zinc/41/73/54/1440417354.db2.gz MSRVRERBHWWYNW-OALUTQOASA-N 2 1 335.536 3.093 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@](C)(C[NH2+]CCCC2CCCC2)C2CC2)CC[N@H+]1C ZINC001753518146 1440427940 /nfs/dbraw/zinc/42/79/40/1440427940.db2.gz BYDFHUVPBANCCG-BSIFCXSSSA-N 2 1 349.563 3.172 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@@](C)(C[NH2+]CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001753528095 1440430119 /nfs/dbraw/zinc/43/01/19/1440430119.db2.gz UCAZVFGCHZKLAE-UWJYYQICSA-N 2 1 349.563 3.029 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001753528094 1440430211 /nfs/dbraw/zinc/43/02/11/1440430211.db2.gz UCAZVFGCHZKLAE-UTKZUKDTSA-N 2 1 349.563 3.029 20 0 EGADMP CC(C)CC[NH2+]CC[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001753547927 1440434528 /nfs/dbraw/zinc/43/45/28/1440434528.db2.gz JQYHJXSDVPMWBZ-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001753612557 1440449188 /nfs/dbraw/zinc/44/91/88/1440449188.db2.gz HXAYCLFCWIWNPP-IEBWSBKVSA-N 2 1 337.552 3.172 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC1([NH2+]CCCF)CCCC1 ZINC001753666028 1440460294 /nfs/dbraw/zinc/46/02/94/1440460294.db2.gz WCDMOVMCKJRMBF-UHFFFAOYSA-N 2 1 341.515 3.018 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC1CCCC1 ZINC001753777772 1440486701 /nfs/dbraw/zinc/48/67/01/1440486701.db2.gz VMMKOJNZEVAHDN-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2C)C1 ZINC001753798741 1440490358 /nfs/dbraw/zinc/49/03/58/1440490358.db2.gz FFFSGOINHTXNDV-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CN(CC[N@@H+](C)CCCC1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001753855860 1440508908 /nfs/dbraw/zinc/50/89/08/1440508908.db2.gz MDHGJXKCSBEHEM-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CC[NH+](C)CCCC1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001753855860 1440508909 /nfs/dbraw/zinc/50/89/09/1440508909.db2.gz MDHGJXKCSBEHEM-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CC[NH+](C)CCCC1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001753855860 1440508910 /nfs/dbraw/zinc/50/89/10/1440508910.db2.gz MDHGJXKCSBEHEM-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001754225242 1440553167 /nfs/dbraw/zinc/55/31/67/1440553167.db2.gz PBRSQLBJIUZLLH-AEFFLSMTSA-N 2 1 337.552 3.170 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC001754243779 1440556414 /nfs/dbraw/zinc/55/64/14/1440556414.db2.gz VOWJHKANDYBPGA-SJORKVTESA-N 2 1 342.487 3.170 20 0 EGADMP C[C@@H](C[NH2+][C@@H](C)c1cccc2ccccc21)NC(=O)[C@H]1CCC[N@H+]1C ZINC001754278802 1440562734 /nfs/dbraw/zinc/56/27/34/1440562734.db2.gz MOGFABFCZMDQOB-TWOQFEAHSA-N 2 1 339.483 3.089 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001754285515 1440564050 /nfs/dbraw/zinc/56/40/50/1440564050.db2.gz ACKRIVUAEIDZEF-GJZGRUSLSA-N 2 1 346.450 3.001 20 0 EGADMP CN(CCC[NH2+]CCCC(C)(C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001754380599 1440593330 /nfs/dbraw/zinc/59/33/30/1440593330.db2.gz XUEWZPHFOKVSCJ-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CN(CCC[NH2+]CCCC(C)(C)C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001754402307 1440595427 /nfs/dbraw/zinc/59/54/27/1440595427.db2.gz CVOJFUMXYYHTBJ-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)[C@@H](CC)C1 ZINC001754466791 1440604545 /nfs/dbraw/zinc/60/45/45/1440604545.db2.gz JCAHWGHSMRJHPU-PMACEKPBSA-N 2 1 345.531 3.054 20 0 EGADMP CCCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001754560570 1440633573 /nfs/dbraw/zinc/63/35/73/1440633573.db2.gz PXWJMBPUSVODOV-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)CC1 ZINC001754620260 1440645151 /nfs/dbraw/zinc/64/51/51/1440645151.db2.gz PQBUKVFBAFUNBH-ACBHZAAOSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CCC[NH+]1CCC(C)(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001754629639 1440647251 /nfs/dbraw/zinc/64/72/51/1440647251.db2.gz IHMFHJQEOUXZJB-HDICACEKSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001754649295 1440651441 /nfs/dbraw/zinc/65/14/41/1440651441.db2.gz IQZIVOUUCLEGTR-PMACEKPBSA-N 2 1 349.563 3.458 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CCCC1 ZINC001754650404 1440651814 /nfs/dbraw/zinc/65/18/14/1440651814.db2.gz LDNUXYUXQJHEPU-ZWKOTPCHSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC1CC1)C1CCCC1 ZINC001754654761 1440653056 /nfs/dbraw/zinc/65/30/56/1440653056.db2.gz JWFMUBRYHVIVQI-PMACEKPBSA-N 2 1 349.563 3.314 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCC2CCCCC2)C2CCCC2)C1 ZINC001754656896 1440653778 /nfs/dbraw/zinc/65/37/78/1440653778.db2.gz WRGRFKUJNIJVOO-PMACEKPBSA-N 2 1 349.563 3.173 20 0 EGADMP CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001754696040 1440667068 /nfs/dbraw/zinc/66/70/68/1440667068.db2.gz VRNWQWIXPPXVFL-NQIIRXRSSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCC[NH+]1CCCC1)C2 ZINC001754833198 1440696250 /nfs/dbraw/zinc/69/62/50/1440696250.db2.gz OWKMFYGQGNLBAQ-ACDBMABISA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001754914774 1440708489 /nfs/dbraw/zinc/70/84/89/1440708489.db2.gz MICNAKMUDRTDLQ-HKUYNNGSSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](CC[NH2+]CCC3CCCCC3)C2)CC[N@H+]1C ZINC001754916277 1440708644 /nfs/dbraw/zinc/70/86/44/1440708644.db2.gz SKHNHMNJARACEN-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](CC[NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001754940847 1440711760 /nfs/dbraw/zinc/71/17/60/1440711760.db2.gz XVKAZKWDPJIBKK-OALUTQOASA-N 2 1 345.531 3.226 20 0 EGADMP CCCCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001754951192 1440715074 /nfs/dbraw/zinc/71/50/74/1440715074.db2.gz LQKWQXPIHIBRCS-APWZRJJASA-N 2 1 331.504 3.095 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCCC2)CCC1 ZINC001754993098 1440725200 /nfs/dbraw/zinc/72/52/00/1440725200.db2.gz DGSQNJRENBDEIN-LJQANCHMSA-N 2 1 349.563 3.460 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)CC2)c1 ZINC001755027529 1440729608 /nfs/dbraw/zinc/72/96/08/1440729608.db2.gz BHNFHNPYHOVQKN-RTBURBONSA-N 2 1 345.531 3.287 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001755027764 1440729925 /nfs/dbraw/zinc/72/99/25/1440729925.db2.gz GRBTYOXAAVTXOG-RBUKOAKNSA-N 2 1 345.531 3.369 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC001755028350 1440730203 /nfs/dbraw/zinc/73/02/03/1440730203.db2.gz MGVGURGJCKHTSV-IBGZPJMESA-N 2 1 335.536 3.189 20 0 EGADMP CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1)[NH+](CC)CC ZINC001755029920 1440730851 /nfs/dbraw/zinc/73/08/51/1440730851.db2.gz SPUGJFPIXOHSSW-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001755029690 1440730895 /nfs/dbraw/zinc/73/08/95/1440730895.db2.gz YRNGMJVEKWAJOG-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC(CC)([NH2+]CCC3CC3)CC2)C1 ZINC001755070927 1440746520 /nfs/dbraw/zinc/74/65/20/1440746520.db2.gz BPZNQGMBAWLCJS-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)(C)CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001755079445 1440750234 /nfs/dbraw/zinc/75/02/34/1440750234.db2.gz KGFGBRLMMVPCGH-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001755142572 1440761434 /nfs/dbraw/zinc/76/14/34/1440761434.db2.gz BOUXPXPIYNWXOI-MJRGOJFPSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CCCCCC2)[C@@H](C)C1 ZINC001755165142 1440766708 /nfs/dbraw/zinc/76/67/08/1440766708.db2.gz GCWNFDPLERAQQN-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)[C@@H](C)C1 ZINC001755165142 1440766709 /nfs/dbraw/zinc/76/67/09/1440766709.db2.gz GCWNFDPLERAQQN-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)[C@@H](C)C1 ZINC001755165142 1440766710 /nfs/dbraw/zinc/76/67/10/1440766710.db2.gz GCWNFDPLERAQQN-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CCC[NH+](C)C)cc1C ZINC001755197845 1440777806 /nfs/dbraw/zinc/77/78/06/1440777806.db2.gz OIALWRXDIOJWTA-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCC2=CCCCC2)CC1 ZINC001755198285 1440778228 /nfs/dbraw/zinc/77/82/28/1440778228.db2.gz XGLOFZXWCQRZOT-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001755211580 1440783259 /nfs/dbraw/zinc/78/32/59/1440783259.db2.gz VVPGGFFXFBJNKO-XBMUEBEBSA-N 2 1 347.547 3.092 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC1CC(C[NH2+]CCCC(C)(C)C)C1 ZINC001755217456 1440784236 /nfs/dbraw/zinc/78/42/36/1440784236.db2.gz GCCTVJPTNPZENV-UHFFFAOYSA-N 2 1 348.535 3.317 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]CC2CC(NC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001755221689 1440784761 /nfs/dbraw/zinc/78/47/61/1440784761.db2.gz HLBSVZBHWDXFLU-VIQWUECVSA-N 2 1 345.531 3.189 20 0 EGADMP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)CC1CCC(C)CC1 ZINC001755327788 1440822637 /nfs/dbraw/zinc/82/26/37/1440822637.db2.gz KRPUNUHEHZEWHD-XBMUEBEBSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCCC[NH+]2CCC(C)(C)C)C1 ZINC001755367376 1440835509 /nfs/dbraw/zinc/83/55/09/1440835509.db2.gz GPUIHOFDBPXQEE-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CCCCC[N@@H+]2CCC(C)(C)C)C1 ZINC001755367376 1440835510 /nfs/dbraw/zinc/83/55/10/1440835510.db2.gz GPUIHOFDBPXQEE-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CCCCC[N@H+]2CCC(C)(C)C)C1 ZINC001755367376 1440835511 /nfs/dbraw/zinc/83/55/11/1440835511.db2.gz GPUIHOFDBPXQEE-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001755368486 1440836177 /nfs/dbraw/zinc/83/61/77/1440836177.db2.gz RXDNMQFYQVDDJS-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001755415389 1440848253 /nfs/dbraw/zinc/84/82/53/1440848253.db2.gz HTKIBQGUJSSYEW-MOPGFXCFSA-N 2 1 345.531 3.306 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC001755415389 1440848254 /nfs/dbraw/zinc/84/82/54/1440848254.db2.gz HTKIBQGUJSSYEW-MOPGFXCFSA-N 2 1 345.531 3.306 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001755472585 1440859098 /nfs/dbraw/zinc/85/90/98/1440859098.db2.gz AFIHVRVORXLWJM-BZSNNMDCSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755588261 1440880893 /nfs/dbraw/zinc/88/08/93/1440880893.db2.gz VNZFTNUKYFTXGN-MSOLQXFVSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](C/C=C\c2ccccc2)[C@H]1C ZINC001755722033 1440907945 /nfs/dbraw/zinc/90/79/45/1440907945.db2.gz DTYABLGVSFPGMT-TYLQSNEBSA-N 2 1 343.515 3.009 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C/C=C\c2ccccc2)[C@H]1C ZINC001755722033 1440907946 /nfs/dbraw/zinc/90/79/46/1440907946.db2.gz DTYABLGVSFPGMT-TYLQSNEBSA-N 2 1 343.515 3.009 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2)[C@H]1C ZINC001755722033 1440907947 /nfs/dbraw/zinc/90/79/47/1440907947.db2.gz DTYABLGVSFPGMT-TYLQSNEBSA-N 2 1 343.515 3.009 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001755764088 1440915712 /nfs/dbraw/zinc/91/57/12/1440915712.db2.gz YZGPFRGGUUJOLB-MAUKXSAKSA-N 2 1 349.494 3.055 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001755826304 1440927328 /nfs/dbraw/zinc/92/73/28/1440927328.db2.gz ODTQBNGZXRZQBS-ZWKOTPCHSA-N 2 1 337.552 3.172 20 0 EGADMP CCC[NH+]1CCC(C2(NC(=O)C[C@@H](C)n3cc[nH+]c3CC)CC2)CC1 ZINC001755869122 1440938600 /nfs/dbraw/zinc/93/86/00/1440938600.db2.gz SSIGVHGRIJGCEF-MRXNPFEDSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)Oc1cc[nH+]c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164722934 720394291 /nfs/dbraw/zinc/39/42/91/720394291.db2.gz DUQPEDVYTXJGFF-RBUKOAKNSA-N 2 1 338.455 3.117 20 0 EGADMP CC(C)Oc1cc[nH+]c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164722934 720394304 /nfs/dbraw/zinc/39/43/04/720394304.db2.gz DUQPEDVYTXJGFF-RBUKOAKNSA-N 2 1 338.455 3.117 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]c3nccnc23)[C@H]1c1cccs1 ZINC000368217256 168326425 /nfs/dbraw/zinc/32/64/25/168326425.db2.gz XDDYQQQNTBBOAV-GUYCJALGSA-N 2 1 341.484 3.144 20 0 EGADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368566812 168373920 /nfs/dbraw/zinc/37/39/20/168373920.db2.gz JZZBQJSFORKDAE-VUHPKUFZSA-N 2 1 332.488 3.074 20 0 EGADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000174372743 231191942 /nfs/dbraw/zinc/19/19/42/231191942.db2.gz UWVBOPGGLSNSAM-MRXNPFEDSA-N 2 1 332.488 3.361 20 0 EGADMP CCc1cnc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000130411038 529652953 /nfs/dbraw/zinc/65/29/53/529652953.db2.gz PTJJPYFFDMAZGL-AWEZNQCLSA-N 2 1 333.501 3.497 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000181676849 529999945 /nfs/dbraw/zinc/99/99/45/529999945.db2.gz QQEXMOACRRVLCY-NRFANRHFSA-N 2 1 346.515 3.374 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)CC[N@H+]1C ZINC000180902544 234023843 /nfs/dbraw/zinc/02/38/43/234023843.db2.gz DVJKZGSXPZJJBE-WFASDCNBSA-N 2 1 334.851 3.005 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000130964109 223192406 /nfs/dbraw/zinc/19/24/06/223192406.db2.gz VYPIZTGGTIRSLF-INIZCTEOSA-N 2 1 328.460 3.157 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000130964109 223192408 /nfs/dbraw/zinc/19/24/08/223192408.db2.gz VYPIZTGGTIRSLF-INIZCTEOSA-N 2 1 328.460 3.157 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)NC(C)(C)C ZINC000079303719 299323945 /nfs/dbraw/zinc/32/39/45/299323945.db2.gz NHZGFLJWRVSLNJ-IRXDYDNUSA-N 2 1 345.531 3.311 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cn1 ZINC000193984479 240386785 /nfs/dbraw/zinc/38/67/85/240386785.db2.gz WDIJUXAZFQWXIM-BHIYHBOVSA-N 2 1 338.455 3.013 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000370495869 242022775 /nfs/dbraw/zinc/02/27/75/242022775.db2.gz GLMQLTMNMNBVQE-WOJBJXKFSA-N 2 1 334.479 3.446 20 0 EGADMP COc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1Br ZINC000231464049 242268119 /nfs/dbraw/zinc/26/81/19/242268119.db2.gz VHXJWPXHKMFRNL-CYBMUJFWSA-N 2 1 327.266 3.032 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C/C=C/c3ccc(F)c(F)c3)C2)CC1 ZINC000377613811 169048312 /nfs/dbraw/zinc/04/83/12/169048312.db2.gz FVXYVLXHJILYLR-OAJJDEHYSA-N 2 1 349.469 3.078 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc4occc4c3)C2)CC1 ZINC000377621506 169049634 /nfs/dbraw/zinc/04/96/34/169049634.db2.gz XKPRECXEONYJNF-LJQANCHMSA-N 2 1 327.472 3.033 20 0 EGADMP Cc1oc2ccccc2c1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377634815 169052247 /nfs/dbraw/zinc/05/22/47/169052247.db2.gz YTWSFGXQGNZPOK-SFHVURJKSA-N 2 1 341.499 3.342 20 0 EGADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000092066509 218113893 /nfs/dbraw/zinc/11/38/93/218113893.db2.gz HSDMHQLZJPRTSS-XLIONFOSSA-N 2 1 327.472 3.094 20 0 EGADMP CC(=O)Nc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000092066509 218113896 /nfs/dbraw/zinc/11/38/96/218113896.db2.gz HSDMHQLZJPRTSS-XLIONFOSSA-N 2 1 327.472 3.094 20 0 EGADMP CC(=O)Nc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000092066509 218113898 /nfs/dbraw/zinc/11/38/98/218113898.db2.gz HSDMHQLZJPRTSS-XLIONFOSSA-N 2 1 327.472 3.094 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)s1 ZINC000092746100 218163369 /nfs/dbraw/zinc/16/33/69/218163369.db2.gz GUPPGCVYIRLTQP-STQMWFEESA-N 2 1 336.505 3.132 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)s1 ZINC000092752573 218163530 /nfs/dbraw/zinc/16/35/30/218163530.db2.gz PAGYGVRDYOADSX-CYBMUJFWSA-N 2 1 336.505 3.276 20 0 EGADMP Cc1nn(C)cc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000093006750 218184967 /nfs/dbraw/zinc/18/49/67/218184967.db2.gz GYRLCRLHXRJYNQ-UHFFFAOYSA-N 2 1 326.488 3.073 20 0 EGADMP COc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1OC(F)F ZINC000093088916 218193664 /nfs/dbraw/zinc/19/36/64/218193664.db2.gz JHOXFHMMTAIHNA-UHFFFAOYSA-N 2 1 328.403 3.070 20 0 EGADMP Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000095419713 218359784 /nfs/dbraw/zinc/35/97/84/218359784.db2.gz JEBQCYMKFDHNQT-CQSZACIVSA-N 2 1 337.471 3.424 20 0 EGADMP Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000095419712 218359894 /nfs/dbraw/zinc/35/98/94/218359894.db2.gz JEBQCYMKFDHNQT-AWEZNQCLSA-N 2 1 337.471 3.424 20 0 EGADMP Cc1nn(C)c(C)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000267530492 251132663 /nfs/dbraw/zinc/13/26/63/251132663.db2.gz RUDPODPCTNWVKH-KXBFYZLASA-N 2 1 326.488 3.180 20 0 EGADMP Cc1nn(C)c(C)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000267530492 251132667 /nfs/dbraw/zinc/13/26/67/251132667.db2.gz RUDPODPCTNWVKH-KXBFYZLASA-N 2 1 326.488 3.180 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000268815492 252267414 /nfs/dbraw/zinc/26/74/14/252267414.db2.gz MDVSGSIKKKMMGU-YZGWKJHDSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000268815492 252267419 /nfs/dbraw/zinc/26/74/19/252267419.db2.gz MDVSGSIKKKMMGU-YZGWKJHDSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000268815492 252267423 /nfs/dbraw/zinc/26/74/23/252267423.db2.gz MDVSGSIKKKMMGU-YZGWKJHDSA-N 2 1 327.516 3.113 20 0 EGADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000268848091 252296215 /nfs/dbraw/zinc/29/62/15/252296215.db2.gz VWCMCXXFCAAYIC-QGZVFWFLSA-N 2 1 333.520 3.263 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cncc(F)c1 ZINC000153491684 224112347 /nfs/dbraw/zinc/11/23/47/224112347.db2.gz HNWBRBOPWFWLIV-CVEARBPZSA-N 2 1 343.446 3.292 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cncc(F)c1 ZINC000153491684 224112348 /nfs/dbraw/zinc/11/23/48/224112348.db2.gz HNWBRBOPWFWLIV-CVEARBPZSA-N 2 1 343.446 3.292 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCc3c2cnn3C)cc1F ZINC000153733233 224149750 /nfs/dbraw/zinc/14/97/50/224149750.db2.gz LODJSGOQGBXIIJ-KRWDZBQOSA-N 2 1 339.418 3.221 20 0 EGADMP COc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)[NH+]2CCCCC2)cc1 ZINC000154201129 533183731 /nfs/dbraw/zinc/18/37/31/533183731.db2.gz HAQUEIXPUHVVKD-LMNJBCLMSA-N 2 1 345.531 3.295 20 0 EGADMP COC[C@@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000245782859 285272373 /nfs/dbraw/zinc/27/23/73/285272373.db2.gz URUAJTGEBZUNIP-GOSISDBHSA-N 2 1 345.531 3.075 20 0 EGADMP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000119650525 221367617 /nfs/dbraw/zinc/36/76/17/221367617.db2.gz MLNILHZSFUXNOZ-UHFFFAOYSA-N 2 1 341.499 3.454 20 0 EGADMP C[N@@H+](CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000298366393 132390019 /nfs/dbraw/zinc/39/00/19/132390019.db2.gz KILFABXMPRSQHL-UHFFFAOYSA-N 3 1 330.520 3.295 20 0 EGADMP C[C@@H](NCC[N@@H+]1CCC[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000246852782 141039229 /nfs/dbraw/zinc/03/92/29/141039229.db2.gz CQHMGHSUSRHLID-ZWKOTPCHSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@@H](NCC[N@H+]1CCC[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000246852782 141039230 /nfs/dbraw/zinc/03/92/30/141039230.db2.gz CQHMGHSUSRHLID-ZWKOTPCHSA-N 2 1 333.520 3.010 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)c2ccccc2)[C@@H](C)C1 ZINC000268861343 141059415 /nfs/dbraw/zinc/05/94/15/141059415.db2.gz SCSKJTSWNSCFIY-IHPCNDPISA-N 2 1 334.504 3.101 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338022378 141075426 /nfs/dbraw/zinc/07/54/26/141075426.db2.gz MLCKYPJPOWJJMZ-DMUMMCEESA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338022378 141075428 /nfs/dbraw/zinc/07/54/28/141075428.db2.gz MLCKYPJPOWJJMZ-DMUMMCEESA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338022378 141075430 /nfs/dbraw/zinc/07/54/30/141075430.db2.gz MLCKYPJPOWJJMZ-DMUMMCEESA-N 2 1 343.515 3.029 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000178702088 144074951 /nfs/dbraw/zinc/07/49/51/144074951.db2.gz PZPDZFVTRLNAND-CVEARBPZSA-N 2 1 340.471 3.305 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000178702110 144075303 /nfs/dbraw/zinc/07/53/03/144075303.db2.gz PZPDZFVTRLNAND-HZPDHXFCSA-N 2 1 340.471 3.305 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc(Cl)c1OC ZINC000344663615 144207923 /nfs/dbraw/zinc/20/79/23/144207923.db2.gz HJVXPEIQYAVXLW-JSGCOSHPSA-N 2 1 326.868 3.320 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Cl)c1OC ZINC000344663615 144207925 /nfs/dbraw/zinc/20/79/25/144207925.db2.gz HJVXPEIQYAVXLW-JSGCOSHPSA-N 2 1 326.868 3.320 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(c1ccccc1)c1ccccc1 ZINC000351578448 144282851 /nfs/dbraw/zinc/28/28/51/144282851.db2.gz HKSFTESCINORMW-UWJYYQICSA-N 2 1 338.495 3.252 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(c1ccccc1)c1ccccc1 ZINC000351578448 144282852 /nfs/dbraw/zinc/28/28/52/144282852.db2.gz HKSFTESCINORMW-UWJYYQICSA-N 2 1 338.495 3.252 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc12 ZINC000363784017 144366414 /nfs/dbraw/zinc/36/64/14/144366414.db2.gz OMGKMMXVYZBXQU-YESZJQIVSA-N 2 1 340.467 3.362 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c2ccccc12 ZINC000363784017 144366416 /nfs/dbraw/zinc/36/64/16/144366416.db2.gz OMGKMMXVYZBXQU-YESZJQIVSA-N 2 1 340.467 3.362 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CC(C)C)C12CCOCC2 ZINC000346614244 286283642 /nfs/dbraw/zinc/28/36/42/286283642.db2.gz NEFDWGDONHGKIP-IPMKNSEASA-N 2 1 338.536 3.061 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2CC(C)C)C12CCOCC2 ZINC000346614244 286283643 /nfs/dbraw/zinc/28/36/43/286283643.db2.gz NEFDWGDONHGKIP-IPMKNSEASA-N 2 1 338.536 3.061 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000117985494 152123334 /nfs/dbraw/zinc/12/33/34/152123334.db2.gz QETBHJSQMWVEPY-KSZLIROESA-N 2 1 337.552 3.218 20 0 EGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000117985494 152123335 /nfs/dbraw/zinc/12/33/35/152123335.db2.gz QETBHJSQMWVEPY-KSZLIROESA-N 2 1 337.552 3.218 20 0 EGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000117985494 152123338 /nfs/dbraw/zinc/12/33/38/152123338.db2.gz QETBHJSQMWVEPY-KSZLIROESA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@]3(C)CCO[C@H]3C3CC3)sc2C1 ZINC000341559694 155354239 /nfs/dbraw/zinc/35/42/39/155354239.db2.gz PJSHVMHJBSXRPK-RBUKOAKNSA-N 2 1 349.544 3.204 20 0 EGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@]3(C)CCO[C@H]3C3CC3)sc2C1 ZINC000341559694 155354242 /nfs/dbraw/zinc/35/42/42/155354242.db2.gz PJSHVMHJBSXRPK-RBUKOAKNSA-N 2 1 349.544 3.204 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190498368 153146849 /nfs/dbraw/zinc/14/68/49/153146849.db2.gz HVDMQHOXVUEFDF-UHFFFAOYSA-N 2 1 332.423 3.049 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000192922239 153265596 /nfs/dbraw/zinc/26/55/96/153265596.db2.gz PNTSXHQIJHNUMK-SFHVURJKSA-N 2 1 340.467 3.316 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000192922239 153265600 /nfs/dbraw/zinc/26/56/00/153265600.db2.gz PNTSXHQIJHNUMK-SFHVURJKSA-N 2 1 340.467 3.316 20 0 EGADMP CC(C)Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000192921230 153266804 /nfs/dbraw/zinc/26/68/04/153266804.db2.gz HYNMECSDPINCMK-IBGZPJMESA-N 2 1 326.488 3.151 20 0 EGADMP CC(C)Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000192921230 153266808 /nfs/dbraw/zinc/26/68/08/153266808.db2.gz HYNMECSDPINCMK-IBGZPJMESA-N 2 1 326.488 3.151 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCC(C)CC1)c1cccc(OC)c1 ZINC000341634548 155392843 /nfs/dbraw/zinc/39/28/43/155392843.db2.gz OVBFUBFAARFMOP-LJQANCHMSA-N 2 1 346.519 3.334 20 0 EGADMP COc1ccc([C@H](CNC(=[NH2+])N2CCC(C)CC2)[NH+]2CCCC2)cc1 ZINC000303266631 154041185 /nfs/dbraw/zinc/04/11/85/154041185.db2.gz WDYMKPWPLMVZPX-IBGZPJMESA-N 2 1 344.503 3.088 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000305145563 154087518 /nfs/dbraw/zinc/08/75/18/154087518.db2.gz RQPGDAPRHVIITR-DOTOQJQBSA-N 2 1 338.492 3.189 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000305618157 154100270 /nfs/dbraw/zinc/10/02/70/154100270.db2.gz FRHQGEDNBMTBLX-IBGZPJMESA-N 2 1 331.435 3.166 20 0 EGADMP CCn1cc([C@@H](C)[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000310080589 154139760 /nfs/dbraw/zinc/13/97/60/154139760.db2.gz IZANHKUNJVBQMO-XLIONFOSSA-N 2 1 326.488 3.466 20 0 EGADMP CCn1cc([C@@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000310080589 154139764 /nfs/dbraw/zinc/13/97/64/154139764.db2.gz IZANHKUNJVBQMO-XLIONFOSSA-N 2 1 326.488 3.466 20 0 EGADMP C[N@H+]1CC=C(C[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000337287725 154260790 /nfs/dbraw/zinc/26/07/90/154260790.db2.gz LFUDLLYJDUAVJI-UHFFFAOYSA-N 2 1 331.204 3.079 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000337287725 154260793 /nfs/dbraw/zinc/26/07/93/154260793.db2.gz LFUDLLYJDUAVJI-UHFFFAOYSA-N 2 1 331.204 3.079 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000337290427 154261774 /nfs/dbraw/zinc/26/17/74/154261774.db2.gz NXVUUWGQMFPNSP-INIZCTEOSA-N 2 1 345.531 3.106 20 0 EGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C1CCN(CCO)CC1 ZINC000337499140 154384223 /nfs/dbraw/zinc/38/42/23/154384223.db2.gz KPRHEYKXSYONMU-CYBMUJFWSA-N 2 1 330.394 3.155 20 0 EGADMP Cc1cccc(N2CCC([NH2+][C@H](C)Cc3ccn(C(C)C)n3)CC2)[nH+]1 ZINC000345050698 155912338 /nfs/dbraw/zinc/91/23/38/155912338.db2.gz OEULHLHGBZCUBL-QGZVFWFLSA-N 2 1 341.503 3.357 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@H]21 ZINC000346821075 156150754 /nfs/dbraw/zinc/15/07/54/156150754.db2.gz LFUMSQKPZMUZBA-IAOVAPTHSA-N 2 1 330.863 3.289 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C[C@H]21 ZINC000346845187 156160677 /nfs/dbraw/zinc/16/06/77/156160677.db2.gz ZSXDEFACSRYTKP-ZTFGCOKTSA-N 2 1 330.863 3.085 20 0 EGADMP CSc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346847509 156163478 /nfs/dbraw/zinc/16/34/78/156163478.db2.gz PCPMBTZCFIFCOR-ZLKJLUDKSA-N 2 1 341.318 3.340 20 0 EGADMP CSc1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346847509 156163483 /nfs/dbraw/zinc/16/34/83/156163483.db2.gz PCPMBTZCFIFCOR-ZLKJLUDKSA-N 2 1 341.318 3.340 20 0 EGADMP C[N@H+]1CCN(C(=O)c2cccc(Oc3ccncc3)c2)C(C)(C)C1 ZINC000346916723 156196127 /nfs/dbraw/zinc/19/61/27/156196127.db2.gz SJRFKAFHGZKIOM-UHFFFAOYSA-N 2 1 325.412 3.040 20 0 EGADMP CN1CCN(C(=O)c2cccc(Oc3ccncc3)c2)C(C)(C)C1 ZINC000346916723 156196132 /nfs/dbraw/zinc/19/61/32/156196132.db2.gz SJRFKAFHGZKIOM-UHFFFAOYSA-N 2 1 325.412 3.040 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000346932337 156202135 /nfs/dbraw/zinc/20/21/35/156202135.db2.gz CBVUOZDEKYHLOU-MRXNPFEDSA-N 2 1 333.520 3.180 20 0 EGADMP CN(CC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC000349034020 156325129 /nfs/dbraw/zinc/32/51/29/156325129.db2.gz BXNZCEHUZIATSY-UHFFFAOYSA-N 2 1 344.330 3.451 20 0 EGADMP CC(C)COc1cccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000349035636 156325568 /nfs/dbraw/zinc/32/55/68/156325568.db2.gz KMXLRAXZYWERQB-UHFFFAOYSA-N 2 1 347.547 3.179 20 0 EGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC000079919996 161810891 /nfs/dbraw/zinc/81/08/91/161810891.db2.gz KJXOCPIMPSKOOM-GJZGRUSLSA-N 2 1 330.476 3.436 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC[C@@H]21 ZINC000093793274 162028129 /nfs/dbraw/zinc/02/81/29/162028129.db2.gz GKIVDDMIDIWRLD-GIVPXCGWSA-N 2 1 344.499 3.161 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC[C@@H]21 ZINC000093793274 162028132 /nfs/dbraw/zinc/02/81/32/162028132.db2.gz GKIVDDMIDIWRLD-GIVPXCGWSA-N 2 1 344.499 3.161 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC[C@@H]21 ZINC000093793274 162028134 /nfs/dbraw/zinc/02/81/34/162028134.db2.gz GKIVDDMIDIWRLD-GIVPXCGWSA-N 2 1 344.499 3.161 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@H]1CC[NH+]2CCC[C@H]2C1)C1CC1 ZINC000248567917 163014659 /nfs/dbraw/zinc/01/46/59/163014659.db2.gz PPVCHKPGAGCIEZ-PCCBWWKXSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+](Cc1ccccc1)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000248567917 163014661 /nfs/dbraw/zinc/01/46/61/163014661.db2.gz PPVCHKPGAGCIEZ-PCCBWWKXSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+](Cc1ccccc1)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000248567917 163014663 /nfs/dbraw/zinc/01/46/63/163014663.db2.gz PPVCHKPGAGCIEZ-PCCBWWKXSA-N 2 1 327.516 3.113 20 0 EGADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000248567917 163014665 /nfs/dbraw/zinc/01/46/65/163014665.db2.gz PPVCHKPGAGCIEZ-PCCBWWKXSA-N 2 1 327.516 3.113 20 0 EGADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000248567917 163014668 /nfs/dbraw/zinc/01/46/68/163014668.db2.gz PPVCHKPGAGCIEZ-PCCBWWKXSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC000248995620 163050512 /nfs/dbraw/zinc/05/05/12/163050512.db2.gz OXUBBIYHNBLJFJ-AHSZXGJYSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000248995620 163050513 /nfs/dbraw/zinc/05/05/13/163050513.db2.gz OXUBBIYHNBLJFJ-AHSZXGJYSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000248995620 163050515 /nfs/dbraw/zinc/05/05/15/163050515.db2.gz OXUBBIYHNBLJFJ-AHSZXGJYSA-N 2 1 327.516 3.254 20 0 EGADMP Cc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(-c2ccnn2C)c1 ZINC000338947955 163399681 /nfs/dbraw/zinc/39/96/81/163399681.db2.gz JUOHBQRUXCAXHK-KRWDZBQOSA-N 2 1 326.488 3.169 20 0 EGADMP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(-c2ccnn2C)c1 ZINC000338947955 163399685 /nfs/dbraw/zinc/39/96/85/163399685.db2.gz JUOHBQRUXCAXHK-KRWDZBQOSA-N 2 1 326.488 3.169 20 0 EGADMP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(-c2ccnn2C)c1 ZINC000338947955 163399686 /nfs/dbraw/zinc/39/96/86/163399686.db2.gz JUOHBQRUXCAXHK-KRWDZBQOSA-N 2 1 326.488 3.169 20 0 EGADMP C[C@H](CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)OCc1ccccc1 ZINC000354727736 166019038 /nfs/dbraw/zinc/01/90/38/166019038.db2.gz HFORTDAZCYJCME-AYWYSENESA-N 2 1 346.515 3.165 20 0 EGADMP COCc1cccc(OCC2(C[N@@H+](C)[C@@H]3CCN(C)[C@H](C)C3)CC2)c1 ZINC000354795513 166033702 /nfs/dbraw/zinc/03/37/02/166033702.db2.gz WXCGHUKMCVZPOX-IEBWSBKVSA-N 2 1 346.515 3.407 20 0 EGADMP COCc1cccc(OCC2(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)CC2)c1 ZINC000354795513 166033704 /nfs/dbraw/zinc/03/37/04/166033704.db2.gz WXCGHUKMCVZPOX-IEBWSBKVSA-N 2 1 346.515 3.407 20 0 EGADMP COCc1cccc(OCC2(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)CC2)c1 ZINC000354795513 166033707 /nfs/dbraw/zinc/03/37/07/166033707.db2.gz WXCGHUKMCVZPOX-IEBWSBKVSA-N 2 1 346.515 3.407 20 0 EGADMP COCc1cccc(OCC2(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1 ZINC000354795513 166033710 /nfs/dbraw/zinc/03/37/10/166033710.db2.gz WXCGHUKMCVZPOX-IEBWSBKVSA-N 2 1 346.515 3.407 20 0 EGADMP COCc1cccc(OCC2(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c1 ZINC000354795513 166033711 /nfs/dbraw/zinc/03/37/11/166033711.db2.gz WXCGHUKMCVZPOX-IEBWSBKVSA-N 2 1 346.515 3.407 20 0 EGADMP Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000343753941 164026796 /nfs/dbraw/zinc/02/67/96/164026796.db2.gz VCEFTQRHGARSNL-KGLIPLIRSA-N 2 1 344.425 3.103 20 0 EGADMP Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000343753941 164026798 /nfs/dbraw/zinc/02/67/98/164026798.db2.gz VCEFTQRHGARSNL-KGLIPLIRSA-N 2 1 344.425 3.103 20 0 EGADMP Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000343753941 164026801 /nfs/dbraw/zinc/02/68/01/164026801.db2.gz VCEFTQRHGARSNL-KGLIPLIRSA-N 2 1 344.425 3.103 20 0 EGADMP CCC1(CC)[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1OC ZINC000344088029 164100834 /nfs/dbraw/zinc/10/08/34/164100834.db2.gz NCRFNHBNDQHDGE-PMACEKPBSA-N 2 1 346.515 3.202 20 0 EGADMP C[N@H+](Cc1nc2ccccc2[nH]1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000350318476 165029257 /nfs/dbraw/zinc/02/92/57/165029257.db2.gz NWMZGNFFUJHYHE-UHFFFAOYSA-N 2 1 335.455 3.306 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000352040498 165205088 /nfs/dbraw/zinc/20/50/88/165205088.db2.gz OWQLEPMZSCASFP-UHOSZYNNSA-N 2 1 331.504 3.105 20 0 EGADMP CC(C)(C[NH2+]Cc1ccnn1-c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000355129922 166113897 /nfs/dbraw/zinc/11/38/97/166113897.db2.gz JFANYZARRVDVFB-UHFFFAOYSA-N 2 1 330.451 3.223 20 0 EGADMP FC(F)(F)c1cscc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000356059954 166388052 /nfs/dbraw/zinc/38/80/52/166388052.db2.gz IEJOXYSAGWTLEQ-UHFFFAOYSA-N 2 1 348.434 3.311 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000359191857 167092109 /nfs/dbraw/zinc/09/21/09/167092109.db2.gz OMWYKZXLFFXHRB-NQIIRXRSSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CCC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000359191857 167092112 /nfs/dbraw/zinc/09/21/12/167092112.db2.gz OMWYKZXLFFXHRB-NQIIRXRSSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CCC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000359191857 167092114 /nfs/dbraw/zinc/09/21/14/167092114.db2.gz OMWYKZXLFFXHRB-NQIIRXRSSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)CC[NH+]1Cc1ccccc1 ZINC000359191857 167092115 /nfs/dbraw/zinc/09/21/15/167092115.db2.gz OMWYKZXLFFXHRB-NQIIRXRSSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)CC[NH+]1Cc1ccccc1 ZINC000359191857 167092117 /nfs/dbraw/zinc/09/21/17/167092117.db2.gz OMWYKZXLFFXHRB-NQIIRXRSSA-N 3 1 329.532 3.361 20 0 EGADMP COc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(-c2ccccc2)cc1OC ZINC000359461817 167162991 /nfs/dbraw/zinc/16/29/91/167162991.db2.gz UVAFQMOTSCMQJH-QZTJIDSGSA-N 2 1 338.451 3.022 20 0 EGADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000359462523 167163176 /nfs/dbraw/zinc/16/31/76/167163176.db2.gz WRNVVYVINZAKOA-IRXDYDNUSA-N 2 1 348.450 3.092 20 0 EGADMP CCC[C@@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365911364 168059354 /nfs/dbraw/zinc/05/93/54/168059354.db2.gz IHVDGSOSZFAZFW-QGZVFWFLSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCn2ccnc2)CC1 ZINC000366696902 168129469 /nfs/dbraw/zinc/12/94/69/168129469.db2.gz GHGPDVMGVJJBQQ-UHFFFAOYSA-N 2 1 326.488 3.306 20 0 EGADMP CC(C)n1cc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000367967107 168290519 /nfs/dbraw/zinc/29/05/19/168290519.db2.gz SYQNJDFTKJJUMP-NHCUHLMSSA-N 2 1 338.499 3.418 20 0 EGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](CC(N)=O)c2ccccc2)CC1 ZINC000354370952 287289311 /nfs/dbraw/zinc/28/93/11/287289311.db2.gz KLKHGMPAYAIKIJ-AHRSYUTCSA-N 2 1 343.515 3.236 20 0 EGADMP COCc1cc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)ccc1OC ZINC000164672468 226090764 /nfs/dbraw/zinc/09/07/64/226090764.db2.gz DXBFLUFTIIQPOY-OAHLLOKOSA-N 2 1 331.460 3.478 20 0 EGADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2csc(C(C)C)n2)CC1 ZINC000186243105 265520775 /nfs/dbraw/zinc/52/07/75/265520775.db2.gz PZJWCASJMFAQOM-MRXNPFEDSA-N 2 1 338.565 3.335 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273630131 267071940 /nfs/dbraw/zinc/07/19/40/267071940.db2.gz SGCNNHRJFUZFGW-MJGOQNOKSA-N 2 1 329.419 3.297 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274759391 267281736 /nfs/dbraw/zinc/28/17/36/267281736.db2.gz JOVKTCKBUBWXBR-YSIASYRMSA-N 2 1 344.499 3.172 20 0 EGADMP Brc1c[nH+]ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000274887541 267301902 /nfs/dbraw/zinc/30/19/02/267301902.db2.gz IWEBFOOIPJRNCC-DOMZBBRYSA-N 2 1 336.277 3.297 20 0 EGADMP Brc1c[nH+]ccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000274887541 267301905 /nfs/dbraw/zinc/30/19/05/267301905.db2.gz IWEBFOOIPJRNCC-DOMZBBRYSA-N 2 1 336.277 3.297 20 0 EGADMP C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274884345 267301964 /nfs/dbraw/zinc/30/19/64/267301964.db2.gz IBLPTXFZOZWVSS-XKGZKEIXSA-N 2 1 344.524 3.456 20 0 EGADMP CC(C)[N@@H+](C)CCCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000274906236 267305772 /nfs/dbraw/zinc/30/57/72/267305772.db2.gz FZFIUDWACOYKJH-UHFFFAOYSA-N 2 1 345.531 3.135 20 0 EGADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000274939609 267309368 /nfs/dbraw/zinc/30/93/68/267309368.db2.gz AYSQCSZOWMYEKG-ROUUACIJSA-N 2 1 340.870 3.337 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000248550404 274392383 /nfs/dbraw/zinc/39/23/83/274392383.db2.gz HYAPXBDFQNUGCR-OZOXKJRCSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)C[N@H+]1C1CC1 ZINC000248550404 274392385 /nfs/dbraw/zinc/39/23/85/274392385.db2.gz HYAPXBDFQNUGCR-OZOXKJRCSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000248550404 274392387 /nfs/dbraw/zinc/39/23/87/274392387.db2.gz HYAPXBDFQNUGCR-OZOXKJRCSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@@H]1C[C@@H](NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000248550404 274392389 /nfs/dbraw/zinc/39/23/89/274392389.db2.gz HYAPXBDFQNUGCR-OZOXKJRCSA-N 2 1 327.516 3.112 20 0 EGADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2nccn2C(C)C)CC1 ZINC000179677244 275203077 /nfs/dbraw/zinc/20/30/77/275203077.db2.gz LFYHGHNSSHMKBI-UHFFFAOYSA-N 2 1 336.524 3.034 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nccn2C(C)C)CC1 ZINC000179677244 275203079 /nfs/dbraw/zinc/20/30/79/275203079.db2.gz LFYHGHNSSHMKBI-UHFFFAOYSA-N 2 1 336.524 3.034 20 0 EGADMP Cc1c([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)nnn1-c1cccc(Cl)c1 ZINC000271883848 275238519 /nfs/dbraw/zinc/23/85/19/275238519.db2.gz QCQVKPPTLODQPZ-ZDUSSCGKSA-N 2 1 345.878 3.142 20 0 EGADMP Cc1c([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)nnn1-c1cccc(Cl)c1 ZINC000271883848 275238520 /nfs/dbraw/zinc/23/85/20/275238520.db2.gz QCQVKPPTLODQPZ-ZDUSSCGKSA-N 2 1 345.878 3.142 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCSc3ccc(F)cc32)CCCO1 ZINC000278778128 275273918 /nfs/dbraw/zinc/27/39/18/275273918.db2.gz YDPHJRKPAAHAHY-WMLDXEAASA-N 2 1 338.492 3.453 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCSc3ccc(F)cc32)CCCO1 ZINC000278778128 275273920 /nfs/dbraw/zinc/27/39/20/275273920.db2.gz YDPHJRKPAAHAHY-WMLDXEAASA-N 2 1 338.492 3.453 20 0 EGADMP O[C@H]1c2ccccc2C[C@H]1[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278920716 275287848 /nfs/dbraw/zinc/28/78/48/275287848.db2.gz ROPNVHHWPYYTIE-UXHICEINSA-N 2 1 337.467 3.057 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279756006 275356686 /nfs/dbraw/zinc/35/66/86/275356686.db2.gz QWQRBXGWLRUVCB-GHTZIAJQSA-N 2 1 326.484 3.017 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279756006 275356687 /nfs/dbraw/zinc/35/66/87/275356687.db2.gz QWQRBXGWLRUVCB-GHTZIAJQSA-N 2 1 326.484 3.017 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279756006 275356688 /nfs/dbraw/zinc/35/66/88/275356688.db2.gz QWQRBXGWLRUVCB-GHTZIAJQSA-N 2 1 326.484 3.017 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000353985577 276011874 /nfs/dbraw/zinc/01/18/74/276011874.db2.gz DAJNFATYJSQHIS-BATSVXPKSA-N 2 1 341.499 3.283 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000353985577 276011875 /nfs/dbraw/zinc/01/18/75/276011875.db2.gz DAJNFATYJSQHIS-BATSVXPKSA-N 2 1 341.499 3.283 20 0 EGADMP C[N@@H+](CCC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000287631251 276142025 /nfs/dbraw/zinc/14/20/25/276142025.db2.gz KJFGSZVRIPDVSI-JKSUJKDBSA-N 2 1 330.394 3.208 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000287724953 276151071 /nfs/dbraw/zinc/15/10/71/276151071.db2.gz OTKQBUSXBFTALV-MSOLQXFVSA-N 2 1 341.503 3.430 20 0 EGADMP CCC1(CC)CCC([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000353209671 276216053 /nfs/dbraw/zinc/21/60/53/276216053.db2.gz NEFLQXQNVMHYBW-UHFFFAOYSA-N 2 1 345.535 3.067 20 0 EGADMP CCC[N@H+](Cc1ccc(Br)cc1OC)C1CC[NH2+]CC1 ZINC000347161891 276255366 /nfs/dbraw/zinc/25/53/66/276255366.db2.gz HRGLNDJVCQQUIC-UHFFFAOYSA-N 2 1 341.293 3.422 20 0 EGADMP CCC[N@@H+](Cc1ccc(Br)cc1OC)C1CC[NH2+]CC1 ZINC000347161891 276255368 /nfs/dbraw/zinc/25/53/68/276255368.db2.gz HRGLNDJVCQQUIC-UHFFFAOYSA-N 2 1 341.293 3.422 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000356046090 276286352 /nfs/dbraw/zinc/28/63/52/276286352.db2.gz SBOORKNYWSAIFV-PMACEKPBSA-N 2 1 345.531 3.276 20 0 EGADMP CSC1(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000289354072 276326651 /nfs/dbraw/zinc/32/66/51/276326651.db2.gz XWQCPHQXJKFTQR-IYBDPMFKSA-N 2 1 334.529 3.281 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000289477209 276344842 /nfs/dbraw/zinc/34/48/42/276344842.db2.gz JQEMYWQOJIPNCN-NSHDSACASA-N 2 1 327.350 3.342 20 0 EGADMP O[C@H](CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000289477490 276344853 /nfs/dbraw/zinc/34/48/53/276344853.db2.gz QCIABAKIUAHODU-JOCHJYFZSA-N 2 1 338.495 3.407 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000289513316 276351094 /nfs/dbraw/zinc/35/10/94/276351094.db2.gz ARKHELOHEBMLJY-LLVKDONJSA-N 2 1 340.240 3.314 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000289556699 276357708 /nfs/dbraw/zinc/35/77/08/276357708.db2.gz YEKCNEPDYISELY-RTWAWAEBSA-N 2 1 329.532 3.066 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH2+]C(C)(C)Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000289594988 276363497 /nfs/dbraw/zinc/36/34/97/276363497.db2.gz SMYIAYRBFPAOGY-INIZCTEOSA-N 2 1 344.421 3.071 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH2+]C(C)(C)Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000289594988 276363498 /nfs/dbraw/zinc/36/34/98/276363498.db2.gz SMYIAYRBFPAOGY-INIZCTEOSA-N 2 1 344.421 3.071 20 0 EGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(Br)nc1 ZINC000289632032 276369160 /nfs/dbraw/zinc/36/91/60/276369160.db2.gz HILXYXBSTXTRBM-CYBMUJFWSA-N 2 1 326.282 3.371 20 0 EGADMP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)no1 ZINC000289794784 276395687 /nfs/dbraw/zinc/39/56/87/276395687.db2.gz OONFZYIOXMWHET-AWEZNQCLSA-N 2 1 332.448 3.151 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000246245370 278014335 /nfs/dbraw/zinc/01/43/35/278014335.db2.gz JGSVONFGWIUOHM-VBSBHUPXSA-N 2 1 343.515 3.015 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000341298218 278024851 /nfs/dbraw/zinc/02/48/51/278024851.db2.gz YWYGAZRHZCLTAN-GDBMZVCRSA-N 2 1 349.906 3.017 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC[N@H+]1C ZINC000341298218 278024852 /nfs/dbraw/zinc/02/48/52/278024852.db2.gz YWYGAZRHZCLTAN-GDBMZVCRSA-N 2 1 349.906 3.017 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000152390182 278351340 /nfs/dbraw/zinc/35/13/40/278351340.db2.gz FHQNWQUPGSFQOR-CABCVRRESA-N 2 1 342.487 3.105 20 0 EGADMP CC[N@H+](C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000343778939 279042699 /nfs/dbraw/zinc/04/26/99/279042699.db2.gz XNNWHLWOWKFWTP-IEBWSBKVSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000343778939 279042704 /nfs/dbraw/zinc/04/27/04/279042704.db2.gz XNNWHLWOWKFWTP-IEBWSBKVSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000343778939 279042705 /nfs/dbraw/zinc/04/27/05/279042705.db2.gz XNNWHLWOWKFWTP-IEBWSBKVSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000343778939 279042708 /nfs/dbraw/zinc/04/27/08/279042708.db2.gz XNNWHLWOWKFWTP-IEBWSBKVSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(C(F)(F)F)cc1 ZINC000367319497 279347676 /nfs/dbraw/zinc/34/76/76/279347676.db2.gz VVUGOMOJXOASEG-COXVUDFISA-N 2 1 342.405 3.262 20 0 EGADMP C[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(C(F)(F)F)cc1 ZINC000367319497 279347677 /nfs/dbraw/zinc/34/76/77/279347677.db2.gz VVUGOMOJXOASEG-COXVUDFISA-N 2 1 342.405 3.262 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC34CCC4)cc2)CC1 ZINC000337382717 279363543 /nfs/dbraw/zinc/36/35/43/279363543.db2.gz FLSOIWOAOIDQIW-FQEVSTJZSA-N 2 1 327.516 3.246 20 0 EGADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000370074250 280136974 /nfs/dbraw/zinc/13/69/74/280136974.db2.gz KIOIHLCGNQZLOY-SFHVURJKSA-N 2 1 347.547 3.118 20 0 EGADMP O=C([C@H]1CC[NH+](C2CCCCC2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000370074250 280136976 /nfs/dbraw/zinc/13/69/76/280136976.db2.gz KIOIHLCGNQZLOY-SFHVURJKSA-N 2 1 347.547 3.118 20 0 EGADMP O=C([C@H]1CC[NH+](C2CCCCC2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000370074250 280136980 /nfs/dbraw/zinc/13/69/80/280136980.db2.gz KIOIHLCGNQZLOY-SFHVURJKSA-N 2 1 347.547 3.118 20 0 EGADMP CC1(C)Cc2occc2[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000358318048 281376772 /nfs/dbraw/zinc/37/67/72/281376772.db2.gz LJNYLFKYDCTVPP-SQNIBIBYSA-N 2 1 332.488 3.261 20 0 EGADMP C[C@@H](C[NH2+]Cc1ccc(Br)cc1F)C[NH+]1CCCC1 ZINC000057994154 307347791 /nfs/dbraw/zinc/34/77/91/307347791.db2.gz HUBGZFFZSATEDO-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CCCO1 ZINC000414122197 309062096 /nfs/dbraw/zinc/06/20/96/309062096.db2.gz AYZXKFUPDGSZAW-IXDOHACOSA-N 2 1 326.525 3.059 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CCCO1 ZINC000414122197 309062097 /nfs/dbraw/zinc/06/20/97/309062097.db2.gz AYZXKFUPDGSZAW-IXDOHACOSA-N 2 1 326.525 3.059 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ncc(Br)cc1F ZINC000414198756 309066428 /nfs/dbraw/zinc/06/64/28/309066428.db2.gz WJUAUMZMCBBWCI-RYUDHWBXSA-N 2 1 344.272 3.366 20 0 EGADMP Cn1ccnc1[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000414175652 309064767 /nfs/dbraw/zinc/06/47/67/309064767.db2.gz HOEIKJUQSUYYKB-YJBOKZPZSA-N 2 1 346.906 3.484 20 0 EGADMP Cn1ccnc1[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000414175652 309064768 /nfs/dbraw/zinc/06/47/68/309064768.db2.gz HOEIKJUQSUYYKB-YJBOKZPZSA-N 2 1 346.906 3.484 20 0 EGADMP Cn1ccnc1[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000414175652 309064769 /nfs/dbraw/zinc/06/47/69/309064769.db2.gz HOEIKJUQSUYYKB-YJBOKZPZSA-N 2 1 346.906 3.484 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000168109694 307931913 /nfs/dbraw/zinc/93/19/13/307931913.db2.gz OHPSKNQKRQCVFE-HNNXBMFYSA-N 2 1 338.455 3.079 20 0 EGADMP Cc1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nn1C ZINC000414369687 309075894 /nfs/dbraw/zinc/07/58/94/309075894.db2.gz VEXRMJAUWIAQRZ-MJGOQNOKSA-N 2 1 326.488 3.119 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](OC(C)C)c2ccccc2OC)[C@@H](C)C1 ZINC000248634886 308007912 /nfs/dbraw/zinc/00/79/12/308007912.db2.gz JYTGSWILJIJQIT-QRFRQXIXSA-N 2 1 334.504 3.481 20 0 EGADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000249708456 308027416 /nfs/dbraw/zinc/02/74/16/308027416.db2.gz CBWDYCIEIRTDKJ-QGZVFWFLSA-N 2 1 343.515 3.162 20 0 EGADMP CC[NH+](CC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000249708456 308027417 /nfs/dbraw/zinc/02/74/17/308027417.db2.gz CBWDYCIEIRTDKJ-QGZVFWFLSA-N 2 1 343.515 3.162 20 0 EGADMP CC[NH+](CC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000249708456 308027419 /nfs/dbraw/zinc/02/74/19/308027419.db2.gz CBWDYCIEIRTDKJ-QGZVFWFLSA-N 2 1 343.515 3.162 20 0 EGADMP CCc1ncc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000414454559 309081256 /nfs/dbraw/zinc/08/12/56/309081256.db2.gz OBOCIGNCHBONAU-IBGZPJMESA-N 2 1 338.499 3.431 20 0 EGADMP CCc1ncc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414454559 309081257 /nfs/dbraw/zinc/08/12/57/309081257.db2.gz OBOCIGNCHBONAU-IBGZPJMESA-N 2 1 338.499 3.431 20 0 EGADMP CC[N@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)[C@@H](C)C1 ZINC000272315527 308066886 /nfs/dbraw/zinc/06/68/86/308066886.db2.gz USNPXXGFSSFRAD-LAUBAEHRSA-N 2 1 345.531 3.033 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)cc(=O)oc2c1C ZINC000293104931 308099963 /nfs/dbraw/zinc/09/99/63/308099963.db2.gz XZODTDYJVUGJNU-NRFANRHFSA-N 2 1 340.467 3.328 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)cc(=O)oc2c1C ZINC000293104931 308099964 /nfs/dbraw/zinc/09/99/64/308099964.db2.gz XZODTDYJVUGJNU-NRFANRHFSA-N 2 1 340.467 3.328 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)cc(=O)oc2c1C ZINC000293104931 308099965 /nfs/dbraw/zinc/09/99/65/308099965.db2.gz XZODTDYJVUGJNU-NRFANRHFSA-N 2 1 340.467 3.328 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)cc(=O)oc2c1C ZINC000293104931 308099966 /nfs/dbraw/zinc/09/99/66/308099966.db2.gz XZODTDYJVUGJNU-NRFANRHFSA-N 2 1 340.467 3.328 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCCCN[C@H](c1cccs1)c1nnc[nH]1 ZINC000293716429 308155593 /nfs/dbraw/zinc/15/55/93/308155593.db2.gz MHADAFACSCCCLF-GDBMZVCRSA-N 2 1 333.505 3.200 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCN[C@H](c1cccs1)c1nnc[nH]1 ZINC000293716429 308155594 /nfs/dbraw/zinc/15/55/94/308155594.db2.gz MHADAFACSCCCLF-GDBMZVCRSA-N 2 1 333.505 3.200 20 0 EGADMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293755432 308159092 /nfs/dbraw/zinc/15/90/92/308159092.db2.gz QSADBAQOOGGQFX-HYVNUMGLSA-N 2 1 328.435 3.289 20 0 EGADMP Cc1nnsc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000293854466 308168113 /nfs/dbraw/zinc/16/81/13/308168113.db2.gz XLTLXLNAXLYDGT-RCCFBDPRSA-N 2 1 342.512 3.237 20 0 EGADMP Cc1nnsc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000293854466 308168114 /nfs/dbraw/zinc/16/81/14/308168114.db2.gz XLTLXLNAXLYDGT-RCCFBDPRSA-N 2 1 342.512 3.237 20 0 EGADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294921584 308271892 /nfs/dbraw/zinc/27/18/92/308271892.db2.gz FRIRQLNZOMNTID-VWWARQNISA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294921584 308271893 /nfs/dbraw/zinc/27/18/93/308271893.db2.gz FRIRQLNZOMNTID-VWWARQNISA-N 3 1 327.516 3.112 20 0 EGADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294921584 308271894 /nfs/dbraw/zinc/27/18/94/308271894.db2.gz FRIRQLNZOMNTID-VWWARQNISA-N 3 1 327.516 3.112 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294921584 308271895 /nfs/dbraw/zinc/27/18/95/308271895.db2.gz FRIRQLNZOMNTID-VWWARQNISA-N 3 1 327.516 3.112 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000294921584 308271896 /nfs/dbraw/zinc/27/18/96/308271896.db2.gz FRIRQLNZOMNTID-VWWARQNISA-N 3 1 327.516 3.112 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294921584 308271898 /nfs/dbraw/zinc/27/18/98/308271898.db2.gz FRIRQLNZOMNTID-VWWARQNISA-N 3 1 327.516 3.112 20 0 EGADMP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)Cc1ccccc1 ZINC000294958395 308275968 /nfs/dbraw/zinc/27/59/68/308275968.db2.gz JRIDFOXHHBXSLA-DSKINZAPSA-N 2 1 330.516 3.487 20 0 EGADMP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)Cc1ccccc1 ZINC000294958391 308276184 /nfs/dbraw/zinc/27/61/84/308276184.db2.gz JRIDFOXHHBXSLA-CUWPLCDZSA-N 2 1 330.516 3.487 20 0 EGADMP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000295008366 308280993 /nfs/dbraw/zinc/28/09/93/308280993.db2.gz JDUFKDPPFVBOIQ-NXNFSMPISA-N 2 1 328.500 3.038 20 0 EGADMP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000295209116 308302943 /nfs/dbraw/zinc/30/29/43/308302943.db2.gz PVNZUZRLUOVUIP-YLJYHZDGSA-N 2 1 339.483 3.022 20 0 EGADMP CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000295224110 308304582 /nfs/dbraw/zinc/30/45/82/308304582.db2.gz NAZSLFUEOKIRFU-INIZCTEOSA-N 2 1 330.476 3.084 20 0 EGADMP CCOC(=O)c1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)[nH]c1C ZINC000295563130 308339103 /nfs/dbraw/zinc/33/91/03/308339103.db2.gz ZFWTYVIANVLVGP-HOCLYGCPSA-N 2 1 347.503 3.242 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706325 309096514 /nfs/dbraw/zinc/09/65/14/309096514.db2.gz LPRKLBVZWHKPOV-YJMBLLCNSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706325 309096515 /nfs/dbraw/zinc/09/65/15/309096515.db2.gz LPRKLBVZWHKPOV-YJMBLLCNSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706325 309096516 /nfs/dbraw/zinc/09/65/16/309096516.db2.gz LPRKLBVZWHKPOV-YJMBLLCNSA-N 3 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H](CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706325 309096517 /nfs/dbraw/zinc/09/65/17/309096517.db2.gz LPRKLBVZWHKPOV-YJMBLLCNSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1C[C@H](CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC000414706325 309096518 /nfs/dbraw/zinc/09/65/18/309096518.db2.gz LPRKLBVZWHKPOV-YJMBLLCNSA-N 2 1 341.543 3.361 20 0 EGADMP COc1cccc(C[N@@H+](C[C@H]2CCCO2)C[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414686141 309095392 /nfs/dbraw/zinc/09/53/92/309095392.db2.gz FLDZETXCDHINTA-ILZDJORESA-N 2 1 332.488 3.064 20 0 EGADMP CC[N@H+](Cc1cn(-c2cccc(F)c2)nc1C)[C@@H]1CCC[NH2+]CC1 ZINC000414718568 309097240 /nfs/dbraw/zinc/09/72/40/309097240.db2.gz SALFUUBLBWHIAU-GOSISDBHSA-N 2 1 330.451 3.284 20 0 EGADMP CC[N@@H+](Cc1cn(-c2cccc(F)c2)nc1C)[C@@H]1CCC[NH2+]CC1 ZINC000414718568 309097241 /nfs/dbraw/zinc/09/72/41/309097241.db2.gz SALFUUBLBWHIAU-GOSISDBHSA-N 2 1 330.451 3.284 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)CC[NH2+]1 ZINC000414760110 309099173 /nfs/dbraw/zinc/09/91/73/309099173.db2.gz XUCXTRMLYGZYJT-PBFPGSCMSA-N 2 1 326.843 3.241 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)CC[NH2+]1 ZINC000414760110 309099174 /nfs/dbraw/zinc/09/91/74/309099174.db2.gz XUCXTRMLYGZYJT-PBFPGSCMSA-N 2 1 326.843 3.241 20 0 EGADMP C[C@@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc(Br)c1 ZINC000414764870 309099401 /nfs/dbraw/zinc/09/94/01/309099401.db2.gz DRYMLFUJPTYFCH-CWRNSKLLSA-N 2 1 337.305 3.484 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1OC(C)C ZINC000414779516 309100701 /nfs/dbraw/zinc/10/07/01/309100701.db2.gz KGUMXUYUKKHGEP-ZWKOTPCHSA-N 2 1 332.488 3.304 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC12CCOCC2 ZINC000414782245 309100891 /nfs/dbraw/zinc/10/08/91/309100891.db2.gz OCHAAUVFBDGYIO-ZDUSSCGKSA-N 2 1 346.368 3.032 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC12CCOCC2 ZINC000414782245 309100892 /nfs/dbraw/zinc/10/08/92/309100892.db2.gz OCHAAUVFBDGYIO-ZDUSSCGKSA-N 2 1 346.368 3.032 20 0 EGADMP COc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000414791909 309101643 /nfs/dbraw/zinc/10/16/43/309101643.db2.gz RISGKTGBRFVNSC-UHFFFAOYSA-N 2 1 326.440 3.116 20 0 EGADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414815519 309103306 /nfs/dbraw/zinc/10/33/06/309103306.db2.gz UMBFVHKZHKEVJD-HZPDHXFCSA-N 2 1 325.294 3.487 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414823418 309103790 /nfs/dbraw/zinc/10/37/90/309103790.db2.gz DEQLTJYDALUHSI-KRWDZBQOSA-N 2 1 346.906 3.291 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414823422 309103869 /nfs/dbraw/zinc/10/38/69/309103869.db2.gz DEQLTJYDALUHSI-QGZVFWFLSA-N 2 1 346.906 3.291 20 0 EGADMP CCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414828332 309104057 /nfs/dbraw/zinc/10/40/57/309104057.db2.gz MCHCLXPUFJVRLT-ZDUSSCGKSA-N 2 1 341.293 3.327 20 0 EGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(Oc2cnccn2)cc1)C1CCCCC1 ZINC000414833545 309104418 /nfs/dbraw/zinc/10/44/18/309104418.db2.gz FXSTXRCIRHTDCV-SFHVURJKSA-N 2 1 326.444 3.266 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414928387 309109687 /nfs/dbraw/zinc/10/96/87/309109687.db2.gz BAAOKSYUUXXPGB-WBMJQRKESA-N 2 1 332.879 3.373 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)ccc1OCC(F)(F)F ZINC000414943725 309110619 /nfs/dbraw/zinc/11/06/19/309110619.db2.gz FTJSKZODQVCUIC-GXTWGEPZSA-N 2 1 346.393 3.257 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2OC(F)F)CC[NH2+]1 ZINC000414946009 309110792 /nfs/dbraw/zinc/11/07/92/309110792.db2.gz JEBCTNMYDVGFSA-MWLCHTKSSA-N 2 1 349.219 3.281 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC[NH2+]1 ZINC000414948245 309110796 /nfs/dbraw/zinc/11/07/96/309110796.db2.gz LXUKJHKZRYOBAL-APWZRJJASA-N 2 1 338.499 3.455 20 0 EGADMP Fc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415038566 309115795 /nfs/dbraw/zinc/11/57/95/309115795.db2.gz HYYUGSHOJDLUCC-DZGCQCFKSA-N 2 1 328.378 3.391 20 0 EGADMP Fc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415038566 309115796 /nfs/dbraw/zinc/11/57/96/309115796.db2.gz HYYUGSHOJDLUCC-DZGCQCFKSA-N 2 1 328.378 3.391 20 0 EGADMP Fc1cccc(Oc2ccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)cc2)c1 ZINC000415047735 309116365 /nfs/dbraw/zinc/11/63/65/309116365.db2.gz WHTURVGIFFFIQA-LJQANCHMSA-N 2 1 330.403 3.086 20 0 EGADMP CSc1cc2c(cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)OCCO2 ZINC000415057424 309117278 /nfs/dbraw/zinc/11/72/78/309117278.db2.gz UDLYCAPFIBCEBQ-ZBFHGGJFSA-N 2 1 348.512 3.144 20 0 EGADMP CSc1cc2c(cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)OCCO2 ZINC000415057424 309117279 /nfs/dbraw/zinc/11/72/79/309117279.db2.gz UDLYCAPFIBCEBQ-ZBFHGGJFSA-N 2 1 348.512 3.144 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)N2CCCCC2)cc1 ZINC000415074468 309118542 /nfs/dbraw/zinc/11/85/42/309118542.db2.gz ACGBNVFNZLMSCN-QFUCXCTJSA-N 2 1 345.531 3.342 20 0 EGADMP OC[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415083554 309118983 /nfs/dbraw/zinc/11/89/83/309118983.db2.gz PULYBOVJKZWBKR-IPJJNNNSSA-N 2 1 349.478 3.154 20 0 EGADMP COCCOc1ccccc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415081349 309119073 /nfs/dbraw/zinc/11/90/73/309119073.db2.gz MSRHODHIDSFXJL-VQTJNVASSA-N 2 1 340.467 3.295 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCCCc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000415102988 309120481 /nfs/dbraw/zinc/12/04/81/309120481.db2.gz FFOQXOHBOWFPEH-CQSZACIVSA-N 2 1 331.287 3.366 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@H]1C[NH3+] ZINC000415122021 309121884 /nfs/dbraw/zinc/12/18/84/309121884.db2.gz HYFWOJWGNHMUOZ-QFBILLFUSA-N 2 1 325.456 3.077 20 0 EGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Cl)ccc3F)CC2)C1 ZINC000415123863 309121992 /nfs/dbraw/zinc/12/19/92/309121992.db2.gz LQYSRQSSMRTKFK-DOTOQJQBSA-N 2 1 326.843 3.197 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000415927103 309149076 /nfs/dbraw/zinc/14/90/76/309149076.db2.gz FISJJWCXVIFQJF-MRXNPFEDSA-N 2 1 340.471 3.048 20 0 EGADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000415930778 309149451 /nfs/dbraw/zinc/14/94/51/309149451.db2.gz KWZMEYKOYMGSMA-SFHVURJKSA-N 2 1 346.519 3.428 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000415932945 309149693 /nfs/dbraw/zinc/14/96/93/309149693.db2.gz NOMGQLDNBZPYGX-BBWFWOEESA-N 2 1 346.519 3.284 20 0 EGADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000415956848 309151243 /nfs/dbraw/zinc/15/12/43/309151243.db2.gz OUSMFUOQAIDLAM-SFHVURJKSA-N 2 1 344.503 3.182 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)cc1 ZINC000416019244 309154935 /nfs/dbraw/zinc/15/49/35/309154935.db2.gz XHBXFCJXSRIMDZ-SFHVURJKSA-N 2 1 332.492 3.038 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416181800 309162525 /nfs/dbraw/zinc/16/25/25/309162525.db2.gz TULUNGVIVJAZAJ-AZUAARDMSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC000416239248 309165172 /nfs/dbraw/zinc/16/51/72/309165172.db2.gz KJPQXJVZXHXISU-PXNSSMCTSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000419337869 309264929 /nfs/dbraw/zinc/26/49/29/309264929.db2.gz YMYHHMDNTZWRAJ-QZTJIDSGSA-N 2 1 337.552 3.122 20 0 EGADMP C[N@@H+](CCOc1ccc(Br)cc1)CC[C@H]1CCC[NH2+]C1 ZINC000420295978 309279816 /nfs/dbraw/zinc/27/98/16/309279816.db2.gz BGQVUZRBYDNOPD-CQSZACIVSA-N 2 1 341.293 3.149 20 0 EGADMP OCCC[N@@H+](CC[C@H]1CC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000420309399 309280869 /nfs/dbraw/zinc/28/08/69/309280869.db2.gz TUOVFHHBTOHDOT-LJQANCHMSA-N 2 1 338.495 3.460 20 0 EGADMP c1sc(Nc2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420322743 309282166 /nfs/dbraw/zinc/28/21/66/309282166.db2.gz FFJMLFAKJOLBFN-HZPDHXFCSA-N 2 1 342.512 3.130 20 0 EGADMP COc1ccc(Br)cc1C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420327309 309282344 /nfs/dbraw/zinc/28/23/44/309282344.db2.gz YFZROMBTDOJDJY-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420324318 309282463 /nfs/dbraw/zinc/28/24/63/309282463.db2.gz VHOOYPXCTOSNET-IBGZPJMESA-N 3 1 329.532 3.220 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420336727 309283036 /nfs/dbraw/zinc/28/30/36/309283036.db2.gz JFMHXDANNLPYCN-CVEARBPZSA-N 2 1 349.906 3.217 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000420336727 309283037 /nfs/dbraw/zinc/28/30/37/309283037.db2.gz JFMHXDANNLPYCN-CVEARBPZSA-N 2 1 349.906 3.217 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340652 309283244 /nfs/dbraw/zinc/28/32/44/309283244.db2.gz NBKQFLYEIDBEJU-IAGOWNOFSA-N 2 1 329.488 3.070 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420347810 309283731 /nfs/dbraw/zinc/28/37/31/309283731.db2.gz ZGRJRZUTTBGSFE-GASCZTMLSA-N 2 1 342.439 3.041 20 0 EGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cncc(OCc2ccccc2)c1 ZINC000420354933 309283782 /nfs/dbraw/zinc/28/37/82/309283782.db2.gz DOEZEUWLDUBKQJ-LJQANCHMSA-N 2 1 325.456 3.138 20 0 EGADMP CCCCc1nc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cs1 ZINC000420392857 309286083 /nfs/dbraw/zinc/28/60/83/309286083.db2.gz PVMCKZVCHLFUAG-RDJZCZTQSA-N 2 1 337.533 3.204 20 0 EGADMP CC(C)[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCS1 ZINC000420904159 309300290 /nfs/dbraw/zinc/30/02/90/309300290.db2.gz BPQQQMILILQVCH-LJQANCHMSA-N 2 1 334.529 3.092 20 0 EGADMP CC(C)[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCS1 ZINC000420904159 309300291 /nfs/dbraw/zinc/30/02/91/309300291.db2.gz BPQQQMILILQVCH-LJQANCHMSA-N 2 1 334.529 3.092 20 0 EGADMP Fc1ccc2c(c1)C[N@H+](Cc1ccc(CN3CCOCC3)cc1)CC2 ZINC000420933424 309302154 /nfs/dbraw/zinc/30/21/54/309302154.db2.gz IVWDLASHGXKHSL-UHFFFAOYSA-N 2 1 340.442 3.216 20 0 EGADMP Fc1ccc2c(c1)CN(Cc1ccc(CN3CCOCC3)cc1)CC2 ZINC000420933424 309302155 /nfs/dbraw/zinc/30/21/55/309302155.db2.gz IVWDLASHGXKHSL-UHFFFAOYSA-N 2 1 340.442 3.216 20 0 EGADMP CCSCC[C@H](C)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420945222 309303431 /nfs/dbraw/zinc/30/34/31/309303431.db2.gz YRQLEHCBUTXSRX-KRWDZBQOSA-N 2 1 336.545 3.482 20 0 EGADMP CCSCC[C@H](C)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420945222 309303432 /nfs/dbraw/zinc/30/34/32/309303432.db2.gz YRQLEHCBUTXSRX-KRWDZBQOSA-N 2 1 336.545 3.482 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H]3CCc4ccc(F)cc43)CC2)CC1 ZINC000420975328 309305407 /nfs/dbraw/zinc/30/54/07/309305407.db2.gz FQIINDFGGDEKGC-OAQYLSRUSA-N 2 1 345.506 3.305 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C(C)C)[C@@H](C)c2ccsc2)CC1 ZINC000421000340 309306873 /nfs/dbraw/zinc/30/68/73/309306873.db2.gz DCLDVSIVWKDPRE-HNNXBMFYSA-N 2 1 337.533 3.120 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000421361462 309320374 /nfs/dbraw/zinc/32/03/74/309320374.db2.gz LAXSHXBTLFAKCI-UAPYVXQJSA-N 2 1 345.531 3.026 20 0 EGADMP COC1([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CCCC1 ZINC000421838269 309342657 /nfs/dbraw/zinc/34/26/57/309342657.db2.gz VEEFPIHHFNDLBK-QGZVFWFLSA-N 2 1 349.519 3.441 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@H]1C[NH3+] ZINC000422559124 309361594 /nfs/dbraw/zinc/36/15/94/309361594.db2.gz CBZGUSLAVOCVKM-MBOZVWFJSA-N 2 1 339.483 3.466 20 0 EGADMP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)N1CCc2sccc2C1 ZINC000422716116 309364636 /nfs/dbraw/zinc/36/46/36/309364636.db2.gz MXLSACIIIDLFDH-JEBQAFNWSA-N 2 1 327.497 3.229 20 0 EGADMP C[C@@H](N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422726586 309365333 /nfs/dbraw/zinc/36/53/33/309365333.db2.gz FLRWSUOUUIYQJZ-COXVUDFISA-N 2 1 341.421 3.010 20 0 EGADMP CC[C@H](C(=O)Nc1cccc(C[NH2+]C)c1)[N@@H+](C)Cc1ccccc1 ZINC000422736501 309365892 /nfs/dbraw/zinc/36/58/92/309365892.db2.gz GICKPPNNYDYSNJ-LJQANCHMSA-N 2 1 325.456 3.255 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422737675 309366132 /nfs/dbraw/zinc/36/61/32/309366132.db2.gz XQXQCNOFWKKYBH-SLYNCCJLSA-N 2 1 343.515 3.096 20 0 EGADMP CC[C@@H]1CCCCN1CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422737675 309366133 /nfs/dbraw/zinc/36/61/33/309366133.db2.gz XQXQCNOFWKKYBH-SLYNCCJLSA-N 2 1 343.515 3.096 20 0 EGADMP COc1ccc([C@H](CN[C@H]2CCCC[C@H]2C[NH3+])[NH+]2CCCCC2)cc1 ZINC000422770826 309367448 /nfs/dbraw/zinc/36/74/48/309367448.db2.gz WSWPURDIXAJTFK-JBACZVJFSA-N 2 1 345.531 3.329 20 0 EGADMP Fc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000422781701 309368169 /nfs/dbraw/zinc/36/81/69/309368169.db2.gz MINORLJHPDMDCW-HKUYNNGSSA-N 2 1 330.378 3.310 20 0 EGADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)cc2)n1 ZINC000422863607 309372574 /nfs/dbraw/zinc/37/25/74/309372574.db2.gz PCQGEUMPTUALED-XLIONFOSSA-N 2 1 326.488 3.152 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(OCC2CC2)c1 ZINC000422870239 309372852 /nfs/dbraw/zinc/37/28/52/309372852.db2.gz XFNRSEVONLPXBA-HSALFYBXSA-N 2 1 344.499 3.031 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1Br ZINC000422876756 309373535 /nfs/dbraw/zinc/37/35/35/309373535.db2.gz GLWVROGANVFCAS-UONOGXRCSA-N 2 1 327.266 3.207 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422882950 309373783 /nfs/dbraw/zinc/37/37/83/309373783.db2.gz PQUXZBBZCVXFCX-YOUFYPILSA-N 3 1 331.548 3.293 20 0 EGADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422882950 309373784 /nfs/dbraw/zinc/37/37/84/309373784.db2.gz PQUXZBBZCVXFCX-YOUFYPILSA-N 2 1 331.548 3.293 20 0 EGADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422882950 309373785 /nfs/dbraw/zinc/37/37/85/309373785.db2.gz PQUXZBBZCVXFCX-YOUFYPILSA-N 2 1 331.548 3.293 20 0 EGADMP CCCC(=O)Nc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422883584 309373793 /nfs/dbraw/zinc/37/37/93/309373793.db2.gz QUBALEORBWZZQF-OXJNMPFZSA-N 2 1 339.483 3.473 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000422892242 309374576 /nfs/dbraw/zinc/37/45/76/309374576.db2.gz XZMWQARRFIWGGI-KUHUBIRLSA-N 2 1 329.419 3.491 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](CC(=O)N(C)C)c1ccccc1 ZINC000422902991 309375285 /nfs/dbraw/zinc/37/52/85/309375285.db2.gz VMIAENMVXAZMGZ-BHIYHBOVSA-N 2 1 331.504 3.106 20 0 EGADMP Cc1ccccc1CN1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422905489 309375437 /nfs/dbraw/zinc/37/54/37/309375437.db2.gz ZDVDVOKBOMFOSV-BHDDXSALSA-N 2 1 341.543 3.470 20 0 EGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422937914 309377124 /nfs/dbraw/zinc/37/71/24/309377124.db2.gz DGCGOFWUONTQNN-RDTXWAMCSA-N 2 1 334.410 3.379 20 0 EGADMP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423009492 309380758 /nfs/dbraw/zinc/38/07/58/309380758.db2.gz CYTHPLSZMDPUSO-UEKVPHQBSA-N 2 1 329.257 3.249 20 0 EGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000423067441 309384043 /nfs/dbraw/zinc/38/40/43/309384043.db2.gz HCABGAVBBYJCPJ-UWHLTILDSA-N 2 1 330.516 3.248 20 0 EGADMP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c(C)c1 ZINC000423074088 309384524 /nfs/dbraw/zinc/38/45/24/309384524.db2.gz TXLRUIQYYHBINL-XUVXKRRUSA-N 2 1 332.488 3.031 20 0 EGADMP Clc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)c1 ZINC000423101563 309385897 /nfs/dbraw/zinc/38/58/97/309385897.db2.gz WACCCCRLDZUHLS-HZZCBIDNSA-N 2 1 334.891 3.333 20 0 EGADMP COc1ncc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1Cl ZINC000423156980 309388775 /nfs/dbraw/zinc/38/87/75/309388775.db2.gz LXLIYRRJWYAZLT-DOTOQJQBSA-N 2 1 331.847 3.327 20 0 EGADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cnn1-c1cccc(Cl)c1 ZINC000423211248 309390554 /nfs/dbraw/zinc/39/05/54/309390554.db2.gz KREDHFFDGBMQMY-ZFWWWQNUSA-N 2 1 332.879 3.484 20 0 EGADMP CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]CC[NH2+]C)nc1 ZINC000423234976 309391784 /nfs/dbraw/zinc/39/17/84/309391784.db2.gz ACEADVWJPAEQDQ-LJQANCHMSA-N 2 1 331.891 3.260 20 0 EGADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2c1cc(Br)cc2Cl)C1CC1 ZINC000423271925 309393324 /nfs/dbraw/zinc/39/33/24/309393324.db2.gz HROBLZDQAKIDRS-KBPBESRZSA-N 2 1 329.669 3.417 20 0 EGADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2c1cc(Cl)cc2Br)C1CC1 ZINC000423283037 309394018 /nfs/dbraw/zinc/39/40/18/309394018.db2.gz VSBAAAMWIYJFSC-KBPBESRZSA-N 2 1 329.669 3.417 20 0 EGADMP CCC([NH3+])(CC)C[NH2+][C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000423295706 309394343 /nfs/dbraw/zinc/39/43/43/309394343.db2.gz XHZDPVRKPHDBCV-IBGZPJMESA-N 2 1 327.472 3.481 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000423319383 309394993 /nfs/dbraw/zinc/39/49/93/309394993.db2.gz FMXKEMKZWXUIAA-YJBOKZPZSA-N 2 1 340.471 3.381 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000423338895 309395892 /nfs/dbraw/zinc/39/58/92/309395892.db2.gz BADJHZCYYRCHAO-OAHLLOKOSA-N 2 1 325.456 3.088 20 0 EGADMP CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[C@@H](C)[NH3+] ZINC000423347221 309396423 /nfs/dbraw/zinc/39/64/23/309396423.db2.gz ZWRCYFKQKOIAPD-QKLQHJQFSA-N 2 1 345.531 3.297 20 0 EGADMP C[C@H](CC1CCOCC1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423358624 309396711 /nfs/dbraw/zinc/39/67/11/309396711.db2.gz BZYVVBGRHBCUIC-VVFCZOMOSA-N 2 1 338.442 3.205 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]Cc4ccc5c(c4)C[NH2+]C5)[C@H]3C2)cc1 ZINC000423366188 309397134 /nfs/dbraw/zinc/39/71/34/309397134.db2.gz BQTHCQIIIMRYMN-PMVMPFDFSA-N 2 1 347.506 3.290 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NCc4ccc5c(c4)C[NH2+]C5)[C@H]3C2)cc1 ZINC000423366188 309397135 /nfs/dbraw/zinc/39/71/35/309397135.db2.gz BQTHCQIIIMRYMN-PMVMPFDFSA-N 2 1 347.506 3.290 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCc4ccc5c(c4)C[NH2+]C5)[C@H]3C2)cc1 ZINC000423366188 309397136 /nfs/dbraw/zinc/39/71/36/309397136.db2.gz BQTHCQIIIMRYMN-PMVMPFDFSA-N 2 1 347.506 3.290 20 0 EGADMP C[N@H+]1CC[C@H](NC[C@@H]2[NH2+]CCc3ccccc32)C[C@@H]1c1ccccc1 ZINC000423426689 309399928 /nfs/dbraw/zinc/39/99/28/309399928.db2.gz NIHQGQRRAJCNCX-ILWGZMRPSA-N 2 1 335.495 3.299 20 0 EGADMP FC(F)(F)COCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434662602 309716942 /nfs/dbraw/zinc/71/69/42/309716942.db2.gz MOWRONKDJLVDIS-UHFFFAOYSA-N 2 1 345.409 3.368 20 0 EGADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)CC1 ZINC000441069086 309861460 /nfs/dbraw/zinc/86/14/60/309861460.db2.gz UXGLLZZDKBEOOY-KRWDZBQOSA-N 2 1 333.495 3.377 20 0 EGADMP COc1nccc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000449078743 310035303 /nfs/dbraw/zinc/03/53/03/310035303.db2.gz MVYKRMQZKFAMJQ-MRXNPFEDSA-N 2 1 340.471 3.007 20 0 EGADMP COc1nccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000449078743 310035304 /nfs/dbraw/zinc/03/53/04/310035304.db2.gz MVYKRMQZKFAMJQ-MRXNPFEDSA-N 2 1 340.471 3.007 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccncc3F)CC2)cs1 ZINC000449151734 310040670 /nfs/dbraw/zinc/04/06/70/310040670.db2.gz YKLOLPBVKIIDPP-UHFFFAOYSA-N 2 1 348.491 3.241 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449160834 310041294 /nfs/dbraw/zinc/04/12/94/310041294.db2.gz CVFJSYYRLJWIFD-UHFFFAOYSA-N 2 1 329.444 3.313 20 0 EGADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cccc2ccoc21 ZINC000449328798 310053973 /nfs/dbraw/zinc/05/39/73/310053973.db2.gz LJWSUWISDKWCCS-UHFFFAOYSA-N 2 1 329.488 3.282 20 0 EGADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449582152 310073687 /nfs/dbraw/zinc/07/36/87/310073687.db2.gz DVVFCRSLNMLJPM-FFGOWVMKSA-N 2 1 344.499 3.361 20 0 EGADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449582152 310073688 /nfs/dbraw/zinc/07/36/88/310073688.db2.gz DVVFCRSLNMLJPM-FFGOWVMKSA-N 2 1 344.499 3.361 20 0 EGADMP C[C@@H]([NH2+]CCN(C)Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450723343 310139286 /nfs/dbraw/zinc/13/92/86/310139286.db2.gz COIQIJSFHXZVCD-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H](NCC[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000450723343 310139287 /nfs/dbraw/zinc/13/92/87/310139287.db2.gz COIQIJSFHXZVCD-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H](NCC[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000450723343 310139288 /nfs/dbraw/zinc/13/92/88/310139288.db2.gz COIQIJSFHXZVCD-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@H]3C=CCCCCC3)C2)CC1 ZINC000451532465 310183424 /nfs/dbraw/zinc/18/34/24/310183424.db2.gz TYPLDNGETBBEIT-RTWAWAEBSA-N 2 1 347.547 3.142 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@H]3C=CCCCCC3)C2)CC1 ZINC000451532465 310183425 /nfs/dbraw/zinc/18/34/25/310183425.db2.gz TYPLDNGETBBEIT-RTWAWAEBSA-N 2 1 347.547 3.142 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@H]3C=CCCCCC3)C2)CC1 ZINC000451532465 310183426 /nfs/dbraw/zinc/18/34/26/310183426.db2.gz TYPLDNGETBBEIT-RTWAWAEBSA-N 2 1 347.547 3.142 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@H]3C=CCCCCC3)C2)CC1 ZINC000451532465 310183427 /nfs/dbraw/zinc/18/34/27/310183427.db2.gz TYPLDNGETBBEIT-RTWAWAEBSA-N 2 1 347.547 3.142 20 0 EGADMP COc1ccc2c(c1)C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)CO2 ZINC000453058720 310254761 /nfs/dbraw/zinc/25/47/61/310254761.db2.gz LLTUPBACBBWSGM-SJLPKXTDSA-N 2 1 332.488 3.243 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)CO2 ZINC000453058721 310254910 /nfs/dbraw/zinc/25/49/10/310254910.db2.gz LLTUPBACBBWSGM-WMZOPIPTSA-N 2 1 332.488 3.243 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)CO2 ZINC000453061395 310255313 /nfs/dbraw/zinc/25/53/13/310255313.db2.gz PCKFXNOESQGWJE-WMZOPIPTSA-N 2 1 332.488 3.100 20 0 EGADMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453112431 310258654 /nfs/dbraw/zinc/25/86/54/310258654.db2.gz CYFXZYRHYQCUCY-HAGHYFMRSA-N 2 1 348.556 3.133 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCOC1 ZINC000453134346 310260109 /nfs/dbraw/zinc/26/01/09/310260109.db2.gz ZMYCFXAYRNAUAY-XRXFAXGQSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453237361 310266024 /nfs/dbraw/zinc/26/60/24/310266024.db2.gz PUVRQHAAPFJHIM-WJMWBRGCSA-N 2 1 330.516 3.428 20 0 EGADMP Cn1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(-c2ccc(F)cc2)n1 ZINC000453592863 310283304 /nfs/dbraw/zinc/28/33/04/310283304.db2.gz FQYQMMQUTJLRGC-UHFFFAOYSA-N 2 1 330.451 3.190 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453596635 310283475 /nfs/dbraw/zinc/28/34/75/310283475.db2.gz MCEZVXSAAQWPND-UHFFFAOYSA-N 2 1 328.460 3.049 20 0 EGADMP CON1CCC([N@H+](C)CC(C)(C)C[NH+](C)Cc2ccccc2)CC1 ZINC000453616508 310284720 /nfs/dbraw/zinc/28/47/20/310284720.db2.gz HDNZFVWFXWKEPC-UHFFFAOYSA-N 2 1 333.520 3.102 20 0 EGADMP CON1CCC([N@@H+](C)CC(C)(C)C[NH+](C)Cc2ccccc2)CC1 ZINC000453616508 310284721 /nfs/dbraw/zinc/28/47/21/310284721.db2.gz HDNZFVWFXWKEPC-UHFFFAOYSA-N 2 1 333.520 3.102 20 0 EGADMP CON1CCC([NH+](C)CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000453616508 310284722 /nfs/dbraw/zinc/28/47/22/310284722.db2.gz HDNZFVWFXWKEPC-UHFFFAOYSA-N 2 1 333.520 3.102 20 0 EGADMP CON1CCC([NH+](C)CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000453616508 310284723 /nfs/dbraw/zinc/28/47/23/310284723.db2.gz HDNZFVWFXWKEPC-UHFFFAOYSA-N 2 1 333.520 3.102 20 0 EGADMP Cc1cc(NC(=O)NCCC[NH+](C(C)C)C(C)C)cn2cc[nH+]c12 ZINC000455649766 310371215 /nfs/dbraw/zinc/37/12/15/310371215.db2.gz ZQGDLJBVWVEKOL-UHFFFAOYSA-N 2 1 331.464 3.273 20 0 EGADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455894377 310381478 /nfs/dbraw/zinc/38/14/78/310381478.db2.gz CVOMICSPZHUWGZ-CCKFTAQKSA-N 2 1 344.503 3.086 20 0 EGADMP CCC(CC)[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[NH+](C)C ZINC000463137829 310609491 /nfs/dbraw/zinc/60/94/91/310609491.db2.gz TWHPWMFVMMMFNW-INIZCTEOSA-N 2 1 337.474 3.359 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1 ZINC000482151077 310927129 /nfs/dbraw/zinc/92/71/29/310927129.db2.gz YZUFFOQYFVCOCV-VQIMIIECSA-N 2 1 347.503 3.124 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C/C=C\c3ccncc3)c2)CCO1 ZINC000486948694 311003504 /nfs/dbraw/zinc/00/35/04/311003504.db2.gz VDNGDSJGTNKKHW-CJISVDGZSA-N 2 1 337.467 3.105 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C/C=C\c3ccncc3)c2)CCO1 ZINC000486948694 311003505 /nfs/dbraw/zinc/00/35/05/311003505.db2.gz VDNGDSJGTNKKHW-CJISVDGZSA-N 2 1 337.467 3.105 20 0 EGADMP COCCSCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000487919374 311042819 /nfs/dbraw/zinc/04/28/19/311042819.db2.gz PRFUMAPPWQBKDE-ZWKOTPCHSA-N 2 1 328.566 3.343 20 0 EGADMP COCCSCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000487919374 311042820 /nfs/dbraw/zinc/04/28/20/311042820.db2.gz PRFUMAPPWQBKDE-ZWKOTPCHSA-N 2 1 328.566 3.343 20 0 EGADMP COCCSCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000487919374 311042821 /nfs/dbraw/zinc/04/28/21/311042821.db2.gz PRFUMAPPWQBKDE-ZWKOTPCHSA-N 2 1 328.566 3.343 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488358439 311062105 /nfs/dbraw/zinc/06/21/05/311062105.db2.gz XQQUDEXPCOPBIG-SFHVURJKSA-N 2 1 333.451 3.240 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000491589331 311185872 /nfs/dbraw/zinc/18/58/72/311185872.db2.gz PVIOHATXDHVTEW-CYBMUJFWSA-N 2 1 334.895 3.430 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000492786680 311290989 /nfs/dbraw/zinc/29/09/89/311290989.db2.gz ARARIHUQZKDROB-HZPDHXFCSA-N 2 1 336.480 3.007 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CNC(=O)OC(C)(C)C)C(C)(C)C ZINC000497098302 311816388 /nfs/dbraw/zinc/81/63/88/311816388.db2.gz KWSOMNMPUHTOHP-OAHLLOKOSA-N 2 1 338.496 3.111 20 0 EGADMP C[NH+](C)CC1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000506926425 312056079 /nfs/dbraw/zinc/05/60/79/312056079.db2.gz DVDOCBDIMBRMOH-UHFFFAOYSA-N 3 1 331.548 3.418 20 0 EGADMP CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000506926425 312056081 /nfs/dbraw/zinc/05/60/81/312056081.db2.gz DVDOCBDIMBRMOH-UHFFFAOYSA-N 2 1 331.548 3.418 20 0 EGADMP C[NH+](C)CC1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000506926425 312056082 /nfs/dbraw/zinc/05/60/82/312056082.db2.gz DVDOCBDIMBRMOH-UHFFFAOYSA-N 2 1 331.548 3.418 20 0 EGADMP C[NH+](C)CC1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000506926425 312056084 /nfs/dbraw/zinc/05/60/84/312056084.db2.gz DVDOCBDIMBRMOH-UHFFFAOYSA-N 2 1 331.548 3.418 20 0 EGADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000507485107 312074791 /nfs/dbraw/zinc/07/47/91/312074791.db2.gz KRWFVGYKAYSDIZ-OUJGAGHGSA-N 2 1 330.516 3.284 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ncccc2CC)[C@H](C)C1 ZINC000507509492 312075599 /nfs/dbraw/zinc/07/55/99/312075599.db2.gz LCIKRYURSZJZJB-LMMKCTJWSA-N 2 1 333.520 3.432 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ncccc2CC)[C@H](C)C1 ZINC000507509492 312075601 /nfs/dbraw/zinc/07/56/01/312075601.db2.gz LCIKRYURSZJZJB-LMMKCTJWSA-N 2 1 333.520 3.432 20 0 EGADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000512133460 312176469 /nfs/dbraw/zinc/17/64/69/312176469.db2.gz YPPTZVGHCVVCLR-GFCCVEGCSA-N 2 1 349.338 3.438 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000512133460 312176470 /nfs/dbraw/zinc/17/64/70/312176470.db2.gz YPPTZVGHCVVCLR-GFCCVEGCSA-N 2 1 349.338 3.438 20 0 EGADMP COc1cc(C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000515146526 312267937 /nfs/dbraw/zinc/26/79/37/312267937.db2.gz WGWHZWBZMKFDPI-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP CCc1cccc2c(C3CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC3)c[nH]c21 ZINC000515178153 312269444 /nfs/dbraw/zinc/26/94/44/312269444.db2.gz HHCFOLZVMUCDQP-SFHVURJKSA-N 2 1 343.515 3.222 20 0 EGADMP CC(C)c1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000516206944 312315003 /nfs/dbraw/zinc/31/50/03/312315003.db2.gz IOZHPYZGKKDDQI-UHFFFAOYSA-N 2 1 338.455 3.209 20 0 EGADMP OC1CC(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000528017434 313000287 /nfs/dbraw/zinc/00/02/87/313000287.db2.gz GYPKENFGGIGPBK-SSXNTNPLSA-N 2 1 328.500 3.038 20 0 EGADMP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccs1 ZINC000531710709 313704403 /nfs/dbraw/zinc/70/44/03/313704403.db2.gz SHTUXXNBKLYCOW-WMZOPIPTSA-N 2 1 329.513 3.387 20 0 EGADMP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1(C)C ZINC000531722782 313705956 /nfs/dbraw/zinc/70/59/56/313705956.db2.gz MJFUMGSNTLYGCO-RTBURBONSA-N 2 1 334.479 3.236 20 0 EGADMP COc1cc2c(cc1CN(C)CC[C@H]1CCCC[N@H+]1C)O[C@H](C)C2 ZINC000536678528 314138248 /nfs/dbraw/zinc/13/82/48/314138248.db2.gz CALXDVHZJXOMJC-CRAIPNDOSA-N 2 1 332.488 3.325 20 0 EGADMP Cc1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000537180238 314166060 /nfs/dbraw/zinc/16/60/60/314166060.db2.gz IYEFTKGWFWDZNF-GOSISDBHSA-N 2 1 329.513 3.135 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc(C4CCC4)s3)C2)CC1 ZINC000537660360 314200596 /nfs/dbraw/zinc/20/05/96/314200596.db2.gz DHHUJKQFIKIFJR-QGZVFWFLSA-N 2 1 348.560 3.011 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc(C4CCC4)s3)C2)CC1 ZINC000537660360 314200599 /nfs/dbraw/zinc/20/05/99/314200599.db2.gz DHHUJKQFIKIFJR-QGZVFWFLSA-N 2 1 348.560 3.011 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)[C@H](O)C(F)(F)F ZINC000537943590 314218822 /nfs/dbraw/zinc/21/88/22/314218822.db2.gz SKGBMCYVHALUPB-UKMLZYKCSA-N 2 1 336.442 3.321 20 0 EGADMP Cc1ccc(OCCC[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1C ZINC000538135882 314228942 /nfs/dbraw/zinc/22/89/42/314228942.db2.gz NJNQZKGOVCUBNT-UHFFFAOYSA-N 2 1 347.547 3.030 20 0 EGADMP CC[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000538724168 314270533 /nfs/dbraw/zinc/27/05/33/314270533.db2.gz WINMXIRCXWMMED-SBHAEUEKSA-N 2 1 329.532 3.138 20 0 EGADMP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000538798236 314276881 /nfs/dbraw/zinc/27/68/81/314276881.db2.gz UGAJYHXXUOBJFO-YZGWKJHDSA-N 2 1 332.488 3.159 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000538798236 314276883 /nfs/dbraw/zinc/27/68/83/314276883.db2.gz UGAJYHXXUOBJFO-YZGWKJHDSA-N 2 1 332.488 3.159 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N[C@@H](C)C(C)C)CC1)CC(C)C ZINC000539096273 314296265 /nfs/dbraw/zinc/29/62/65/314296265.db2.gz BXXDPIIATYQBOC-SFHVURJKSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000539407565 314312016 /nfs/dbraw/zinc/31/20/16/314312016.db2.gz NKHKDRRIBVQZFQ-YLJYHZDGSA-N 2 1 334.504 3.231 20 0 EGADMP CCc1ccc(NC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000547502342 314910277 /nfs/dbraw/zinc/91/02/77/314910277.db2.gz VTEYAEGTVIBSJQ-UHFFFAOYSA-N 2 1 339.443 3.040 20 0 EGADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000548634922 315029146 /nfs/dbraw/zinc/02/91/46/315029146.db2.gz JEUFDMPGTJKJOI-LTFPLMDUSA-N 2 1 328.500 3.036 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000548717435 315038733 /nfs/dbraw/zinc/03/87/33/315038733.db2.gz SJNCBJZWEIDUFD-LJQANCHMSA-N 2 1 335.536 3.118 20 0 EGADMP C[C@H]1C[C@H](CCNC(=O)CCCC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000548875928 315057698 /nfs/dbraw/zinc/05/76/98/315057698.db2.gz ZNRRSCKRSSUEKE-ICSRJNTNSA-N 2 1 345.531 3.135 20 0 EGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000549796746 315104662 /nfs/dbraw/zinc/10/46/62/315104662.db2.gz HPHWVHDSWVAKJT-CTNGQTDRSA-N 2 1 348.506 3.173 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000549844297 315107227 /nfs/dbraw/zinc/10/72/27/315107227.db2.gz LXRPGWZMMSMYSU-QFUCXCTJSA-N 2 1 348.506 3.316 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000549844297 315107228 /nfs/dbraw/zinc/10/72/28/315107228.db2.gz LXRPGWZMMSMYSU-QFUCXCTJSA-N 2 1 348.506 3.316 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000549844297 315107231 /nfs/dbraw/zinc/10/72/31/315107231.db2.gz LXRPGWZMMSMYSU-QFUCXCTJSA-N 2 1 348.506 3.316 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000549844297 315107233 /nfs/dbraw/zinc/10/72/33/315107233.db2.gz LXRPGWZMMSMYSU-QFUCXCTJSA-N 2 1 348.506 3.316 20 0 EGADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCc2cccc(Br)c2C1)C1CC1 ZINC000550097970 315116652 /nfs/dbraw/zinc/11/66/52/315116652.db2.gz SRVCMJVBCCNQRJ-PBHICJAKSA-N 2 1 337.305 3.236 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000550919010 315137788 /nfs/dbraw/zinc/13/77/88/315137788.db2.gz CBHDIGMGMJTNEY-RVKKMQEKSA-N 2 1 348.560 3.372 20 0 EGADMP Cc1ncc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c(=O)[nH]1 ZINC000552066229 315195126 /nfs/dbraw/zinc/19/51/26/315195126.db2.gz AQTBQWIIHVCHIE-UHFFFAOYSA-N 2 1 340.471 3.023 20 0 EGADMP O[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000554390632 315315328 /nfs/dbraw/zinc/31/53/28/315315328.db2.gz MHIPBWDXQYJJNM-PFAUGDHASA-N 2 1 328.500 3.180 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])N2CCCC2)cc1 ZINC000563528274 316033380 /nfs/dbraw/zinc/03/33/80/316033380.db2.gz RMTZQFDMEVTNIG-UFYCRDLUSA-N 2 1 331.504 3.082 20 0 EGADMP COc1cc2c(cc1C[N@H+](C)CCCn1cc[nH+]c1C)O[C@H](C)C2 ZINC000563842445 316077478 /nfs/dbraw/zinc/07/74/78/316077478.db2.gz NWFKFAGADVIJPB-CQSZACIVSA-N 2 1 329.444 3.046 20 0 EGADMP COc1cc2c(cc1C[N@@H+](C)CCCn1cc[nH+]c1C)O[C@H](C)C2 ZINC000563842445 316077482 /nfs/dbraw/zinc/07/74/82/316077482.db2.gz NWFKFAGADVIJPB-CQSZACIVSA-N 2 1 329.444 3.046 20 0 EGADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000564969843 316239307 /nfs/dbraw/zinc/23/93/07/316239307.db2.gz GAUYUBXVLLTCOI-QZTJIDSGSA-N 2 1 332.488 3.306 20 0 EGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000564969843 316239309 /nfs/dbraw/zinc/23/93/09/316239309.db2.gz GAUYUBXVLLTCOI-QZTJIDSGSA-N 2 1 332.488 3.306 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000565082466 316262274 /nfs/dbraw/zinc/26/22/74/316262274.db2.gz DYZNCSCKWJACKD-BQJIDLTASA-N 2 1 341.499 3.139 20 0 EGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000565159538 316277782 /nfs/dbraw/zinc/27/77/82/316277782.db2.gz ZFGCVMXSJCMCEL-XOKHGSTOSA-N 2 1 344.421 3.401 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000565159538 316277785 /nfs/dbraw/zinc/27/77/85/316277785.db2.gz ZFGCVMXSJCMCEL-XOKHGSTOSA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000565159538 316277789 /nfs/dbraw/zinc/27/77/89/316277789.db2.gz ZFGCVMXSJCMCEL-XOKHGSTOSA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000565159538 316277791 /nfs/dbraw/zinc/27/77/91/316277791.db2.gz ZFGCVMXSJCMCEL-XOKHGSTOSA-N 2 1 344.421 3.401 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cncc(Br)c1 ZINC000565246202 316298835 /nfs/dbraw/zinc/29/88/35/316298835.db2.gz YVQAPYRTCKXVEC-GFCCVEGCSA-N 2 1 337.265 3.480 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000565315063 316308677 /nfs/dbraw/zinc/30/86/77/316308677.db2.gz LIBULCGCKCMNGF-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCc1noc(CC)c1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000565416092 316321242 /nfs/dbraw/zinc/32/12/42/316321242.db2.gz STIAIIZNZXDVIV-YLJYHZDGSA-N 2 1 341.455 3.145 20 0 EGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000566222337 316438105 /nfs/dbraw/zinc/43/81/05/316438105.db2.gz VEHXJNNGJROZOV-KBAYOESNSA-N 2 1 335.536 3.019 20 0 EGADMP Fc1ccc(Br)cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000566230120 316439508 /nfs/dbraw/zinc/43/95/08/316439508.db2.gz JLMAHVXISSDYIH-ZDUSSCGKSA-N 2 1 341.268 3.410 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000572009956 317278858 /nfs/dbraw/zinc/27/88/58/317278858.db2.gz FHZLVVZPZSQBCV-DNVCBOLYSA-N 2 1 325.456 3.174 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1Br ZINC000247044669 455550317 /nfs/dbraw/zinc/55/03/17/455550317.db2.gz OKLOCKJAPXDGCQ-YWPYICTPSA-N 2 1 341.293 3.276 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c(Br)c1 ZINC000230729677 456140347 /nfs/dbraw/zinc/14/03/47/456140347.db2.gz WNUFVGNNUFQHNB-UHFFFAOYSA-N 2 1 329.282 3.231 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000177902954 323347810 /nfs/dbraw/zinc/34/78/10/323347810.db2.gz KVNMSQFZPDPWPK-DVOMOZLQSA-N 2 1 330.394 3.403 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[C@H]2CCCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379665089 324239770 /nfs/dbraw/zinc/23/97/70/324239770.db2.gz RHRSWWJRAAAAJZ-VBSBHUPXSA-N 2 1 343.515 3.063 20 0 EGADMP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000578656093 325000463 /nfs/dbraw/zinc/00/04/63/325000463.db2.gz HRFBVHJAZLVVCI-INIZCTEOSA-N 2 1 328.500 3.063 20 0 EGADMP C[N@@H+](CCCC[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)C1CC1 ZINC000578880224 325032264 /nfs/dbraw/zinc/03/22/64/325032264.db2.gz CQDVKCHVAIARRU-NRFANRHFSA-N 2 1 326.484 3.207 20 0 EGADMP OCC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCCc2ccccc21 ZINC000579243720 325083102 /nfs/dbraw/zinc/08/31/02/325083102.db2.gz BUSIMULIELPDNJ-JOCHJYFZSA-N 2 1 336.479 3.204 20 0 EGADMP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000579335085 325096477 /nfs/dbraw/zinc/09/64/77/325096477.db2.gz HMNIBTNWRXFXJM-DLBZAZTESA-N 2 1 335.879 3.275 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000579335085 325096480 /nfs/dbraw/zinc/09/64/80/325096480.db2.gz HMNIBTNWRXFXJM-DLBZAZTESA-N 2 1 335.879 3.275 20 0 EGADMP CO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C12CCC2 ZINC000579556866 325126054 /nfs/dbraw/zinc/12/60/54/325126054.db2.gz YMSMVNGVAUELQV-QZTJIDSGSA-N 2 1 347.503 3.051 20 0 EGADMP C[C@](C[NH3+])([NH2+]Cc1cc(Br)cc2cccnc21)C1CC1 ZINC000430560392 458461164 /nfs/dbraw/zinc/46/11/64/458461164.db2.gz ZWCNPPOSYMGFHX-MRXNPFEDSA-N 2 1 334.261 3.214 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000158145601 455273908 /nfs/dbraw/zinc/27/39/08/455273908.db2.gz WYIUMJMBSNYZSX-INIZCTEOSA-N 2 1 335.923 3.236 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C2([NH+](C)C)CC2)c1 ZINC000612168258 460558572 /nfs/dbraw/zinc/55/85/72/460558572.db2.gz ARXCFLFFCYQSAP-UHFFFAOYSA-N 2 1 331.504 3.019 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000245613391 455341309 /nfs/dbraw/zinc/34/13/09/455341309.db2.gz UGSIAESPZLVESR-ZXTQRBJTSA-N 2 1 339.886 3.376 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC(C)(C)CC)CC1 ZINC000066960704 453890207 /nfs/dbraw/zinc/89/02/07/453890207.db2.gz NMPZNRMREKHPFN-INIZCTEOSA-N 2 1 325.541 3.124 20 0 EGADMP C[NH+]1CCN(CCCC[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000075800823 453926742 /nfs/dbraw/zinc/92/67/42/453926742.db2.gz PYVJVYWXGDPEOT-UHFFFAOYSA-N 2 1 345.462 3.203 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2c[nH]nc2-c2cccs2)C[C@H](C)O1 ZINC000067452777 453931926 /nfs/dbraw/zinc/93/19/26/453931926.db2.gz QGCJHRJSAPFQGM-GASCZTMLSA-N 2 1 348.516 3.117 20 0 EGADMP C[N@H+](CCC(=O)Nc1ccccc1Cl)CC[C@@H]1CCCC[NH+]1C ZINC000075861414 453933379 /nfs/dbraw/zinc/93/33/79/453933379.db2.gz IWJOTWSVFVEYGS-HNNXBMFYSA-N 2 1 337.895 3.475 20 0 EGADMP C[NH+](CCC(=O)Nc1ccccc1Cl)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861414 453933381 /nfs/dbraw/zinc/93/33/81/453933381.db2.gz IWJOTWSVFVEYGS-HNNXBMFYSA-N 2 1 337.895 3.475 20 0 EGADMP C[NH+](CCC(=O)Nc1ccccc1Cl)CC[C@@H]1CCCC[N@H+]1C ZINC000075861414 453933384 /nfs/dbraw/zinc/93/33/84/453933384.db2.gz IWJOTWSVFVEYGS-HNNXBMFYSA-N 2 1 337.895 3.475 20 0 EGADMP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843989 454151331 /nfs/dbraw/zinc/15/13/31/454151331.db2.gz WBQVIAUWKSRMMU-QGZVFWFLSA-N 2 1 345.531 3.134 20 0 EGADMP COc1ccc(Br)cc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000057994016 454159935 /nfs/dbraw/zinc/15/99/35/454159935.db2.gz SVVZKWHKOJWJDT-CYBMUJFWSA-N 2 1 341.293 3.279 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)[C@H](C)C1 ZINC000089669143 454175525 /nfs/dbraw/zinc/17/55/25/454175525.db2.gz FIEDFRFFGQTYRJ-NVXWUHKLSA-N 2 1 344.528 3.458 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182049712 455424465 /nfs/dbraw/zinc/42/44/65/455424465.db2.gz MHPHKYPKSIMOGU-GOSISDBHSA-N 2 1 336.451 3.130 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(OC[C@@H]2CCCO2)c1 ZINC000119768596 454219080 /nfs/dbraw/zinc/21/90/80/454219080.db2.gz WNGSGISNLWTWSS-QGZVKYPTSA-N 2 1 346.515 3.371 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(OC[C@@H]2CCCO2)c1 ZINC000119768596 454219083 /nfs/dbraw/zinc/21/90/83/454219083.db2.gz WNGSGISNLWTWSS-QGZVKYPTSA-N 2 1 346.515 3.371 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000090079247 454274301 /nfs/dbraw/zinc/27/43/01/454274301.db2.gz UCRIMPLZMXNLGN-FIXIBIHLSA-N 2 1 331.287 3.345 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCCOC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000090083818 454274522 /nfs/dbraw/zinc/27/45/22/454274522.db2.gz ZOKSJDMFGOZFIL-ICSRJNTNSA-N 2 1 346.515 3.215 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCCOC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000090083818 454274527 /nfs/dbraw/zinc/27/45/27/454274527.db2.gz ZOKSJDMFGOZFIL-ICSRJNTNSA-N 2 1 346.515 3.215 20 0 EGADMP CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120327110 454286970 /nfs/dbraw/zinc/28/69/70/454286970.db2.gz ORJWBAMMSZOZRA-BZUAXINKSA-N 2 1 327.513 3.142 20 0 EGADMP CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000120327110 454286973 /nfs/dbraw/zinc/28/69/73/454286973.db2.gz ORJWBAMMSZOZRA-BZUAXINKSA-N 2 1 327.513 3.142 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCSCc3ccccc3)C2)CC1 ZINC000090529719 454317739 /nfs/dbraw/zinc/31/77/39/454317739.db2.gz OAKPHGJXONDQRR-FQEVSTJZSA-N 2 1 347.572 3.022 20 0 EGADMP CC(C)[NH+](CCNC(=O)NCCC[N@@H+](C)C1CCCCC1)C(C)C ZINC000060955632 454321905 /nfs/dbraw/zinc/32/19/05/454321905.db2.gz FUWKZGSRCIDMDZ-UHFFFAOYSA-N 2 1 340.556 3.059 20 0 EGADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000090936463 454351993 /nfs/dbraw/zinc/35/19/93/454351993.db2.gz LHBASTMFKNJRCY-CGTJXYLNSA-N 2 1 332.488 3.099 20 0 EGADMP C[N@H+](CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C1CCCC1 ZINC000133284166 454409163 /nfs/dbraw/zinc/40/91/63/454409163.db2.gz BEXSAWGFPDOCPH-UHFFFAOYSA-N 2 1 341.499 3.283 20 0 EGADMP C[N@@H+](CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C1CCCC1 ZINC000133284166 454409164 /nfs/dbraw/zinc/40/91/64/454409164.db2.gz BEXSAWGFPDOCPH-UHFFFAOYSA-N 2 1 341.499 3.283 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000063749519 454444259 /nfs/dbraw/zinc/44/42/59/454444259.db2.gz ZYBNTZCLEKDLLO-ROUUACIJSA-N 2 1 345.531 3.379 20 0 EGADMP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121629258 454460239 /nfs/dbraw/zinc/46/02/39/454460239.db2.gz FSFZCSWKDCIWGB-UHFFFAOYSA-N 2 1 337.895 3.251 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CC[NH+]2CCCC2)cc1)C(C)C ZINC000103116599 454537436 /nfs/dbraw/zinc/53/74/36/454537436.db2.gz ZCTNYADJEXPHBJ-UHFFFAOYSA-N 2 1 331.504 3.085 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000122878156 454577708 /nfs/dbraw/zinc/57/77/08/454577708.db2.gz POTIHIUJZONHNA-HLLBOEOZSA-N 2 1 332.488 3.054 20 0 EGADMP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000123103999 454603396 /nfs/dbraw/zinc/60/33/96/454603396.db2.gz CFRRATJBVNMDED-ZCLUNYJNSA-N 2 1 329.532 3.142 20 0 EGADMP CC[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000123103999 454603400 /nfs/dbraw/zinc/60/34/00/454603400.db2.gz CFRRATJBVNMDED-ZCLUNYJNSA-N 2 1 329.532 3.142 20 0 EGADMP CC[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000123103999 454603405 /nfs/dbraw/zinc/60/34/05/454603405.db2.gz CFRRATJBVNMDED-ZCLUNYJNSA-N 2 1 329.532 3.142 20 0 EGADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134926188 454611398 /nfs/dbraw/zinc/61/13/98/454611398.db2.gz PYBLWRLUHKJTJM-XLIONFOSSA-N 2 1 327.472 3.094 20 0 EGADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134926188 454611401 /nfs/dbraw/zinc/61/14/01/454611401.db2.gz PYBLWRLUHKJTJM-XLIONFOSSA-N 2 1 327.472 3.094 20 0 EGADMP CC(=O)Nc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134926188 454611403 /nfs/dbraw/zinc/61/14/03/454611403.db2.gz PYBLWRLUHKJTJM-XLIONFOSSA-N 2 1 327.472 3.094 20 0 EGADMP CC(=O)Nc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134926188 454611408 /nfs/dbraw/zinc/61/14/08/454611408.db2.gz PYBLWRLUHKJTJM-XLIONFOSSA-N 2 1 327.472 3.094 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)s1 ZINC000092740016 454622451 /nfs/dbraw/zinc/62/24/51/454622451.db2.gz DCKMSOFUHBSUAW-HUUCEWRRSA-N 2 1 339.549 3.413 20 0 EGADMP C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820909 454640613 /nfs/dbraw/zinc/64/06/13/454640613.db2.gz NDYQKNPNCRAIQA-MRXNPFEDSA-N 2 1 347.503 3.350 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC000052208692 454660658 /nfs/dbraw/zinc/66/06/58/454660658.db2.gz UVLUAJHYUGCYAW-UHFFFAOYSA-N 2 1 332.488 3.417 20 0 EGADMP C[N@@H+](CCC[NH2+]C1CCN(c2ccccn2)CC1)Cc1ccccc1 ZINC000123756344 454672666 /nfs/dbraw/zinc/67/26/66/454672666.db2.gz QXCMDJXELRQLJO-UHFFFAOYSA-N 2 1 338.499 3.162 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000152654438 454707278 /nfs/dbraw/zinc/70/72/78/454707278.db2.gz SXRAPJNJHKVVDK-GDZNZVCISA-N 2 1 337.895 3.295 20 0 EGADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)C1CC1 ZINC000136003721 454713742 /nfs/dbraw/zinc/71/37/42/454713742.db2.gz JAYJQWDOHWVZLB-UHFFFAOYSA-N 2 1 343.515 3.163 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C ZINC000136299398 454734626 /nfs/dbraw/zinc/73/46/26/454734626.db2.gz CCFVTCXBWAKLPM-UHFFFAOYSA-N 2 1 334.489 3.139 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C ZINC000136299398 454734628 /nfs/dbraw/zinc/73/46/28/454734628.db2.gz CCFVTCXBWAKLPM-UHFFFAOYSA-N 2 1 334.489 3.139 20 0 EGADMP COC(=O)c1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c[nH]1 ZINC000093844573 454739015 /nfs/dbraw/zinc/73/90/15/454739015.db2.gz GKHVBSGQLOVZLD-INIZCTEOSA-N 2 1 347.503 3.278 20 0 EGADMP Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000137074733 454768154 /nfs/dbraw/zinc/76/81/54/454768154.db2.gz WFAJXDQTYIQEGT-UHFFFAOYSA-N 2 1 331.504 3.485 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000162647427 454790512 /nfs/dbraw/zinc/79/05/12/454790512.db2.gz DVHNCKXPKDNTRC-LLGFUMIMSA-N 2 1 346.515 3.201 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)cc1)C(C)C ZINC000108304236 454792152 /nfs/dbraw/zinc/79/21/52/454792152.db2.gz ZMZGQNVHBMOZPG-FQEVSTJZSA-N 2 1 343.515 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1)C(C)C ZINC000108304236 454792155 /nfs/dbraw/zinc/79/21/55/454792155.db2.gz ZMZGQNVHBMOZPG-FQEVSTJZSA-N 2 1 343.515 3.131 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1)C(C)C ZINC000108304236 454792159 /nfs/dbraw/zinc/79/21/59/454792159.db2.gz ZMZGQNVHBMOZPG-FQEVSTJZSA-N 2 1 343.515 3.131 20 0 EGADMP CN(c1ccccc1C[N@@H+](C)[C@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000108368138 454794544 /nfs/dbraw/zinc/79/45/44/454794544.db2.gz XLRHBVUWGHLNAN-SFHVURJKSA-N 2 1 333.545 3.154 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC[C@@H]21 ZINC000139914548 454813128 /nfs/dbraw/zinc/81/31/28/454813128.db2.gz RMZBOLKZHSHBPB-YOEHRIQHSA-N 2 1 335.879 3.085 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000153793448 454833940 /nfs/dbraw/zinc/83/39/40/454833940.db2.gz KZCCDMRIKTWPRP-INIZCTEOSA-N 2 1 330.472 3.467 20 0 EGADMP C[C@H]1C[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000163260605 454834741 /nfs/dbraw/zinc/83/47/41/454834741.db2.gz PDFWAEPOSAEXBH-QGZVKYPTSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[NH+]1C1CC1 ZINC000163260605 454834744 /nfs/dbraw/zinc/83/47/44/454834744.db2.gz PDFWAEPOSAEXBH-QGZVKYPTSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@H]1C[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[NH+]1C1CC1 ZINC000163260605 454834748 /nfs/dbraw/zinc/83/47/48/454834748.db2.gz PDFWAEPOSAEXBH-QGZVKYPTSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCc2ccccc2)CC1 ZINC000153939078 454849902 /nfs/dbraw/zinc/84/99/02/454849902.db2.gz LMEZGCQXAHYWDP-BGYRXZFFSA-N 2 1 329.532 3.110 20 0 EGADMP CN(CC[N@@H+](C)Cc1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000126386485 454890249 /nfs/dbraw/zinc/89/02/49/454890249.db2.gz LPBOZASTDRTVTB-UHFFFAOYSA-N 2 1 344.330 3.451 20 0 EGADMP CC[C@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000126416474 454892704 /nfs/dbraw/zinc/89/27/04/454892704.db2.gz LVFLJRWHSOWJGR-QFBILLFUSA-N 2 1 331.504 3.017 20 0 EGADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccccc1Cl ZINC000150803956 454895129 /nfs/dbraw/zinc/89/51/29/454895129.db2.gz BQJMGXMQJFCJTI-OAHLLOKOSA-N 2 1 335.879 3.086 20 0 EGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C(C)(C)O1 ZINC000165335405 454899309 /nfs/dbraw/zinc/89/93/09/454899309.db2.gz UPLFMLRPPVKDSB-OALUTQOASA-N 2 1 330.516 3.487 20 0 EGADMP COCCC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000177751842 454899739 /nfs/dbraw/zinc/89/97/39/454899739.db2.gz HKYUZWXWYKYFRM-OKZBNKHCSA-N 2 1 334.504 3.201 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000154533391 454905111 /nfs/dbraw/zinc/90/51/11/454905111.db2.gz NPFXNIOZTOGKKP-HNNXBMFYSA-N 2 1 330.394 3.401 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000154533391 454905114 /nfs/dbraw/zinc/90/51/14/454905114.db2.gz NPFXNIOZTOGKKP-HNNXBMFYSA-N 2 1 330.394 3.401 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000154533391 454905116 /nfs/dbraw/zinc/90/51/16/454905116.db2.gz NPFXNIOZTOGKKP-HNNXBMFYSA-N 2 1 330.394 3.401 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OCC)C23CCC3)[C@H](C)C1 ZINC000166182568 454908222 /nfs/dbraw/zinc/90/82/22/454908222.db2.gz PDZYZJORDDQKSD-HCXYKTFWSA-N 2 1 338.536 3.061 20 0 EGADMP CCOc1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC(F)F ZINC000126663212 454910007 /nfs/dbraw/zinc/91/00/07/454910007.db2.gz LOAGMYSCWDMVTE-LSDHHAIUSA-N 2 1 340.414 3.403 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC(F)F ZINC000126663212 454910011 /nfs/dbraw/zinc/91/00/11/454910011.db2.gz LOAGMYSCWDMVTE-LSDHHAIUSA-N 2 1 340.414 3.403 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC(F)F ZINC000126663212 454910015 /nfs/dbraw/zinc/91/00/15/454910015.db2.gz LOAGMYSCWDMVTE-LSDHHAIUSA-N 2 1 340.414 3.403 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4ccccc43)cc2)CC1 ZINC000126669854 454910306 /nfs/dbraw/zinc/91/03/06/454910306.db2.gz PWIXQQBSNRJGOL-QFIPXVFZSA-N 2 1 335.495 3.211 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4ccccc43)cc2)CC1 ZINC000126669574 454910898 /nfs/dbraw/zinc/91/08/98/454910898.db2.gz PWIXQQBSNRJGOL-JOCHJYFZSA-N 2 1 335.495 3.211 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000166368637 454911040 /nfs/dbraw/zinc/91/10/40/454911040.db2.gz RLNOAHLPZKLDQV-MOPGFXCFSA-N 2 1 331.504 3.237 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000166447849 454911718 /nfs/dbraw/zinc/91/17/18/454911718.db2.gz NIQUNMAKDQWDRP-WCIQWLHISA-N 2 1 349.563 3.397 20 0 EGADMP Cc1cc2cc([C@@H](C)[NH2+][C@@H](C)CN3CC[NH+](C)CC3)oc2cc1C ZINC000154929634 454944339 /nfs/dbraw/zinc/94/43/39/454944339.db2.gz RXRCUGALXSNCCX-DLBZAZTESA-N 2 1 329.488 3.336 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCc2cc(Br)ccc2F)CC[N@H+]1C ZINC000155365689 454992233 /nfs/dbraw/zinc/99/22/33/454992233.db2.gz UMSUKFMDHRRBLV-BXUZGUMPSA-N 2 1 329.257 3.203 20 0 EGADMP CCCN(C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000178906899 454989640 /nfs/dbraw/zinc/98/96/40/454989640.db2.gz MJEVGTKFWQCSQR-IBGZPJMESA-N 2 1 331.504 3.131 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000155370296 454992679 /nfs/dbraw/zinc/99/26/79/454992679.db2.gz XOQPTQXJQNWYOJ-BFQNTYOBSA-N 2 1 343.284 3.449 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CCCCC(F)(F)F)CC1 ZINC000151661777 455013858 /nfs/dbraw/zinc/01/38/58/455013858.db2.gz UKBVKJZFFPSPOZ-IYBDPMFKSA-N 2 1 335.458 3.209 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000151661777 455013862 /nfs/dbraw/zinc/01/38/62/455013862.db2.gz UKBVKJZFFPSPOZ-IYBDPMFKSA-N 2 1 335.458 3.209 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000151661777 455013865 /nfs/dbraw/zinc/01/38/65/455013865.db2.gz UKBVKJZFFPSPOZ-IYBDPMFKSA-N 2 1 335.458 3.209 20 0 EGADMP C[C@@H](C[NH+]1CCCCC1)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000151845064 455039219 /nfs/dbraw/zinc/03/92/19/455039219.db2.gz KEZPOZQBFQELEC-ROUUACIJSA-N 2 1 333.520 3.152 20 0 EGADMP Cc1csc(N2CCC([NH2+][C@@H](C)C[N@@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000151953791 455053536 /nfs/dbraw/zinc/05/35/36/455053536.db2.gz LFYJTDFLBURORD-GJZGRUSLSA-N 2 1 336.549 3.130 20 0 EGADMP Cc1csc(N2CCC([NH2+][C@@H](C)C[N@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000151953791 455053538 /nfs/dbraw/zinc/05/35/38/455053538.db2.gz LFYJTDFLBURORD-GJZGRUSLSA-N 2 1 336.549 3.130 20 0 EGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000179634924 455062474 /nfs/dbraw/zinc/06/24/74/455062474.db2.gz XFHNYZBFPMMLSR-SFHVURJKSA-N 2 1 334.467 3.409 20 0 EGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128589104 455070364 /nfs/dbraw/zinc/07/03/64/455070364.db2.gz IWSQYZMIJHZUAC-OAHLLOKOSA-N 2 1 339.911 3.027 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000179798179 455080147 /nfs/dbraw/zinc/08/01/47/455080147.db2.gz SWPYCDWWSKHNHK-UHFFFAOYSA-N 2 1 326.488 3.393 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000179798179 455080151 /nfs/dbraw/zinc/08/01/51/455080151.db2.gz SWPYCDWWSKHNHK-UHFFFAOYSA-N 2 1 326.488 3.393 20 0 EGADMP C[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)c1cnccn1 ZINC000179955786 455106073 /nfs/dbraw/zinc/10/60/73/455106073.db2.gz GHVIRQFMGXUOIH-MRXNPFEDSA-N 2 1 339.487 3.428 20 0 EGADMP CC[NH+](CC)[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000180046044 455122080 /nfs/dbraw/zinc/12/20/80/455122080.db2.gz LRZGCIIALPTJTF-MGNMYUMUSA-N 2 1 339.524 3.237 20 0 EGADMP C[N@H+]1CCCC[C@@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000623656873 460663610 /nfs/dbraw/zinc/66/36/10/460663610.db2.gz DNJXSSLOYMTIMG-IBGZPJMESA-N 2 1 347.522 3.154 20 0 EGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000623656873 460663615 /nfs/dbraw/zinc/66/36/15/460663615.db2.gz DNJXSSLOYMTIMG-IBGZPJMESA-N 2 1 347.522 3.154 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000623656873 460663620 /nfs/dbraw/zinc/66/36/20/460663620.db2.gz DNJXSSLOYMTIMG-IBGZPJMESA-N 2 1 347.522 3.154 20 0 EGADMP COc1sc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1Br ZINC000623655841 460663913 /nfs/dbraw/zinc/66/39/13/460663913.db2.gz HAVRXGAITZSGEH-LLVKDONJSA-N 2 1 347.322 3.341 20 0 EGADMP COc1sc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1Br ZINC000623655841 460663918 /nfs/dbraw/zinc/66/39/18/460663918.db2.gz HAVRXGAITZSGEH-LLVKDONJSA-N 2 1 347.322 3.341 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000156826138 455151852 /nfs/dbraw/zinc/15/18/52/455151852.db2.gz DRBCEEBPENKAFH-INIZCTEOSA-N 2 1 334.504 3.361 20 0 EGADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000157005626 455160897 /nfs/dbraw/zinc/16/08/97/455160897.db2.gz DUNVTUYXTGCENA-NQIIRXRSSA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000157005626 455160899 /nfs/dbraw/zinc/16/08/99/455160899.db2.gz DUNVTUYXTGCENA-NQIIRXRSSA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccccc2CN[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000157005626 455160901 /nfs/dbraw/zinc/16/09/01/455160901.db2.gz DUNVTUYXTGCENA-NQIIRXRSSA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2ccccc2CN[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000157005626 455160902 /nfs/dbraw/zinc/16/09/02/455160902.db2.gz DUNVTUYXTGCENA-NQIIRXRSSA-N 2 1 329.532 3.491 20 0 EGADMP CN(C(=O)CCCCCC[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237291753 455169628 /nfs/dbraw/zinc/16/96/28/455169628.db2.gz IXKXUJLEKMXQGH-IBGZPJMESA-N 2 1 331.504 3.019 20 0 EGADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@@H](C)C2 ZINC000180453015 455172742 /nfs/dbraw/zinc/17/27/42/455172742.db2.gz BYBHXMKKGJCCTM-UWJYYQICSA-N 2 1 329.532 3.092 20 0 EGADMP CC(C)Cn1ncnc1CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000182849161 455177203 /nfs/dbraw/zinc/17/72/03/455177203.db2.gz RBONPDCQBLKYJJ-GOSISDBHSA-N 2 1 347.551 3.411 20 0 EGADMP COc1ccc(OCCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157417039 455192384 /nfs/dbraw/zinc/19/23/84/455192384.db2.gz DUZODLZHFLWNPM-GOSISDBHSA-N 2 1 332.488 3.414 20 0 EGADMP c1cc(OCCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc2c1OCO2 ZINC000157443340 455195752 /nfs/dbraw/zinc/19/57/52/455195752.db2.gz MYIWSMXPZPUDEX-QGZVFWFLSA-N 2 1 346.471 3.135 20 0 EGADMP CC(C)(C)n1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000190707172 455371187 /nfs/dbraw/zinc/37/11/87/455371187.db2.gz OQQZESFHGBZWRO-UHFFFAOYSA-N 2 1 341.503 3.309 20 0 EGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181720770 455376559 /nfs/dbraw/zinc/37/65/59/455376559.db2.gz LXBSKYLAGKWILY-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181720770 455376564 /nfs/dbraw/zinc/37/65/64/455376564.db2.gz LXBSKYLAGKWILY-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181720770 455376567 /nfs/dbraw/zinc/37/65/67/455376567.db2.gz LXBSKYLAGKWILY-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C12CCC2 ZINC000245838056 455383793 /nfs/dbraw/zinc/38/37/93/455383793.db2.gz CZNRNAHILJYGBH-NJDAHSKKSA-N 2 1 342.527 3.488 20 0 EGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000265883624 455398607 /nfs/dbraw/zinc/39/86/07/455398607.db2.gz PCRJAXJGAHRYLN-PZJWPPBQSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000265883624 455398613 /nfs/dbraw/zinc/39/86/13/455398613.db2.gz PCRJAXJGAHRYLN-PZJWPPBQSA-N 2 1 349.478 3.141 20 0 EGADMP O=C(CCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)OCc1ccccc1 ZINC000182279695 455479505 /nfs/dbraw/zinc/47/95/05/455479505.db2.gz WCSHBJSBKMKOQA-RTBURBONSA-N 2 1 330.472 3.117 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000246879902 455533243 /nfs/dbraw/zinc/53/32/43/455533243.db2.gz GPGNCJDJTFEZJF-ZACQAIPSSA-N 2 1 339.524 3.001 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246889672 455533606 /nfs/dbraw/zinc/53/36/06/455533606.db2.gz DSUNOAMJWIFKFP-SQAAOVBZSA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246889672 455533609 /nfs/dbraw/zinc/53/36/09/455533609.db2.gz DSUNOAMJWIFKFP-SQAAOVBZSA-N 2 1 329.532 3.215 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246889672 455533615 /nfs/dbraw/zinc/53/36/15/455533615.db2.gz DSUNOAMJWIFKFP-SQAAOVBZSA-N 2 1 329.532 3.215 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000246896038 455534452 /nfs/dbraw/zinc/53/44/52/455534452.db2.gz JVJMGJFZOORKTL-ICSRJNTNSA-N 2 1 345.531 3.260 20 0 EGADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000182630598 455556717 /nfs/dbraw/zinc/55/67/17/455556717.db2.gz BMLAMYJCKGTSJL-MJGOQNOKSA-N 2 1 346.515 3.261 20 0 EGADMP CCC(CC)(CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000601019982 460678105 /nfs/dbraw/zinc/67/81/05/460678105.db2.gz WRJCQRLZFKYXEM-KRWDZBQOSA-N 2 1 333.520 3.352 20 0 EGADMP CC(C)C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000601021574 460679309 /nfs/dbraw/zinc/67/93/09/460679309.db2.gz DUSPGZXMSCIBAJ-DFQSSKMNSA-N 2 1 345.531 3.352 20 0 EGADMP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000268085167 455590309 /nfs/dbraw/zinc/59/03/09/455590309.db2.gz HLDYCHCNHZFUNZ-OAHLLOKOSA-N 2 1 345.512 3.060 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000292238522 455604771 /nfs/dbraw/zinc/60/47/71/455604771.db2.gz RLUFXVJUXHBHAL-HNNXBMFYSA-N 2 1 328.460 3.024 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000185740127 455611013 /nfs/dbraw/zinc/61/10/13/455611013.db2.gz ZUQKTKCXXYAXHF-KGLIPLIRSA-N 2 1 336.501 3.277 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000185740127 455611016 /nfs/dbraw/zinc/61/10/16/455611016.db2.gz ZUQKTKCXXYAXHF-KGLIPLIRSA-N 2 1 336.501 3.277 20 0 EGADMP Cc1ccncc1[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000271406671 455625417 /nfs/dbraw/zinc/62/54/17/455625417.db2.gz MPKMEBFWGAVKFR-KRWDZBQOSA-N 2 1 325.456 3.073 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)[C@H](C)C1 ZINC000247887399 455652694 /nfs/dbraw/zinc/65/26/94/455652694.db2.gz DLQMSGYPVIJULU-JRGCBEDISA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(OC)cc2)N2CCCC2)[C@H](C)C1 ZINC000247887399 455652698 /nfs/dbraw/zinc/65/26/98/455652698.db2.gz DLQMSGYPVIJULU-JRGCBEDISA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(OC)cc2)N2CCCC2)[C@H](C)C1 ZINC000247887399 455652703 /nfs/dbraw/zinc/65/27/03/455652703.db2.gz DLQMSGYPVIJULU-JRGCBEDISA-N 2 1 345.531 3.152 20 0 EGADMP CC[C@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000247978801 455664998 /nfs/dbraw/zinc/66/49/98/455664998.db2.gz LVFLJRWHSOWJGR-VQIMIIECSA-N 2 1 331.504 3.017 20 0 EGADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000271508801 455665096 /nfs/dbraw/zinc/66/50/96/455665096.db2.gz NLCZMUCYQIZIBI-IPMKNSEASA-N 2 1 348.462 3.007 20 0 EGADMP CC[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000247978797 455665034 /nfs/dbraw/zinc/66/50/34/455665034.db2.gz LVFLJRWHSOWJGR-APWZRJJASA-N 2 1 331.504 3.017 20 0 EGADMP CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OC(F)F ZINC000192695132 455670572 /nfs/dbraw/zinc/67/05/72/455670572.db2.gz JUHSPOOVHGSFCD-GOOCMWNKSA-N 2 1 340.414 3.402 20 0 EGADMP CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC(F)F ZINC000192695132 455670579 /nfs/dbraw/zinc/67/05/79/455670579.db2.gz JUHSPOOVHGSFCD-GOOCMWNKSA-N 2 1 340.414 3.402 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCCOC[C@@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000268716846 455711354 /nfs/dbraw/zinc/71/13/54/455711354.db2.gz GVIREWVICGHXHK-NRSPTQNISA-N 2 1 346.515 3.215 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCCOC[C@@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000268716846 455711360 /nfs/dbraw/zinc/71/13/60/455711360.db2.gz GVIREWVICGHXHK-NRSPTQNISA-N 2 1 346.515 3.215 20 0 EGADMP c1cn(-c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)cn1 ZINC000192924228 455719147 /nfs/dbraw/zinc/71/91/47/455719147.db2.gz QYYMUHKADKVNMH-NRFANRHFSA-N 2 1 346.478 3.484 20 0 EGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635141257 460687796 /nfs/dbraw/zinc/68/77/96/460687796.db2.gz PRIRUARCIOAZKS-FQEVSTJZSA-N 2 1 343.515 3.162 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000269070259 455781912 /nfs/dbraw/zinc/78/19/12/455781912.db2.gz MPZIESRRICTKLA-SZFUDVHCSA-N 2 1 333.435 3.490 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000269196483 455808929 /nfs/dbraw/zinc/80/89/29/455808929.db2.gz VQHHPDPWWLSZJX-VQIMIIECSA-N 2 1 331.504 3.260 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C(C)(C)n2cncn2)c1 ZINC000285386485 455835085 /nfs/dbraw/zinc/83/50/85/455835085.db2.gz WPBVHGRHIGQMFY-INIZCTEOSA-N 2 1 329.492 3.032 20 0 EGADMP O[C@H](C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000285409147 455839918 /nfs/dbraw/zinc/83/99/18/455839918.db2.gz DABVKKQUFOCKKK-YADHBBJMSA-N 2 1 336.479 3.318 20 0 EGADMP O[C@H](C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000285409147 455839920 /nfs/dbraw/zinc/83/99/20/455839920.db2.gz DABVKKQUFOCKKK-YADHBBJMSA-N 2 1 336.479 3.318 20 0 EGADMP O[C@H](C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000285409147 455839925 /nfs/dbraw/zinc/83/99/25/455839925.db2.gz DABVKKQUFOCKKK-YADHBBJMSA-N 2 1 336.479 3.318 20 0 EGADMP Fc1ccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc1 ZINC000285448591 455847860 /nfs/dbraw/zinc/84/78/60/455847860.db2.gz GEGMDWJTFGKVAU-HXUWFJFHSA-N 2 1 325.431 3.319 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000280097685 455891061 /nfs/dbraw/zinc/89/10/61/455891061.db2.gz ZQCXDBJVNHLTCE-UHFFFAOYSA-N 2 1 330.451 3.364 20 0 EGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](CCO[C@@H]4CCCCO4)C3)C2)cc1 ZINC000285751092 455909113 /nfs/dbraw/zinc/90/91/13/455909113.db2.gz YUZGFWYIJMWGRL-RTWAWAEBSA-N 2 1 344.499 3.128 20 0 EGADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CCO[C@@H]4CCCCO4)C3)C2)cc1 ZINC000285751092 455909115 /nfs/dbraw/zinc/90/91/15/455909115.db2.gz YUZGFWYIJMWGRL-RTWAWAEBSA-N 2 1 344.499 3.128 20 0 EGADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CCO[C@@H]4CCCCO4)C3)C2)cc1 ZINC000285751092 455909119 /nfs/dbraw/zinc/90/91/19/455909119.db2.gz YUZGFWYIJMWGRL-RTWAWAEBSA-N 2 1 344.499 3.128 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CCO[C@@H]4CCCCO4)C3)C2)cc1 ZINC000285751092 455909123 /nfs/dbraw/zinc/90/91/23/455909123.db2.gz YUZGFWYIJMWGRL-RTWAWAEBSA-N 2 1 344.499 3.128 20 0 EGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000280174659 455909270 /nfs/dbraw/zinc/90/92/70/455909270.db2.gz HBIIUOFNRLHBGM-KRWDZBQOSA-N 2 1 347.894 3.227 20 0 EGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000280174659 455909271 /nfs/dbraw/zinc/90/92/71/455909271.db2.gz HBIIUOFNRLHBGM-KRWDZBQOSA-N 2 1 347.894 3.227 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000280174659 455909276 /nfs/dbraw/zinc/90/92/76/455909276.db2.gz HBIIUOFNRLHBGM-KRWDZBQOSA-N 2 1 347.894 3.227 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000280174659 455909278 /nfs/dbraw/zinc/90/92/78/455909278.db2.gz HBIIUOFNRLHBGM-KRWDZBQOSA-N 2 1 347.894 3.227 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000285769254 455912012 /nfs/dbraw/zinc/91/20/12/455912012.db2.gz SRODUHMTVLQJQY-JKSUJKDBSA-N 2 1 345.487 3.180 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCc3nc(Cl)ccc32)CCCO1 ZINC000296393667 455925891 /nfs/dbraw/zinc/92/58/91/455925891.db2.gz JZVDWWQKVORONF-ZBFHGGJFSA-N 2 1 337.895 3.203 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3nc(Cl)ccc32)CCCO1 ZINC000296393667 455925894 /nfs/dbraw/zinc/92/58/94/455925894.db2.gz JZVDWWQKVORONF-ZBFHGGJFSA-N 2 1 337.895 3.203 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)c2)CCO1 ZINC000296434671 455937515 /nfs/dbraw/zinc/93/75/15/455937515.db2.gz NJAUTHACZVLAMW-YLJYHZDGSA-N 2 1 344.499 3.099 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)c2)CCO1 ZINC000296434671 455937517 /nfs/dbraw/zinc/93/75/17/455937517.db2.gz NJAUTHACZVLAMW-YLJYHZDGSA-N 2 1 344.499 3.099 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000261780644 455945750 /nfs/dbraw/zinc/94/57/50/455945750.db2.gz MYOZRZWJCUZMGH-OAQYLSRUSA-N 2 1 339.483 3.448 20 0 EGADMP C[N@H+](CCC[NH+]1CCCCC1)CCc1nc(-c2ccccc2)no1 ZINC000285953728 455949015 /nfs/dbraw/zinc/94/90/15/455949015.db2.gz MUNYZPQYFMSKBP-UHFFFAOYSA-N 2 1 328.460 3.087 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCCC1)CCc1nc(-c2ccccc2)no1 ZINC000285953728 455949019 /nfs/dbraw/zinc/94/90/19/455949019.db2.gz MUNYZPQYFMSKBP-UHFFFAOYSA-N 2 1 328.460 3.087 20 0 EGADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC1(c2ccc(Br)cc2)CC1 ZINC000261827379 455954974 /nfs/dbraw/zinc/95/49/74/455954974.db2.gz ITTSSIQXRYBTSF-CQSZACIVSA-N 2 1 337.305 3.412 20 0 EGADMP Fc1cccc(-c2noc([C@H]3CCC[N@@H+](CC4CC[NH2+]CC4)C3)n2)c1 ZINC000261852893 455959624 /nfs/dbraw/zinc/95/96/24/455959624.db2.gz VQRIUJYBLDUSKC-INIZCTEOSA-N 2 1 344.434 3.055 20 0 EGADMP Cc1cnccc1NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272477025 455963452 /nfs/dbraw/zinc/96/34/52/455963452.db2.gz SJZPFFAKJMXCPB-FUHWJXTLSA-N 2 1 338.455 3.422 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272502912 455973320 /nfs/dbraw/zinc/97/33/20/455973320.db2.gz LNFFQACZUNRIMI-GGPKGHCWSA-N 2 1 326.488 3.162 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c(OC(C)C)c1 ZINC000262013225 455985086 /nfs/dbraw/zinc/98/50/86/455985086.db2.gz VTRARSPSVVWQFV-GUDVDZBRSA-N 2 1 332.488 3.029 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272535365 455986160 /nfs/dbraw/zinc/98/61/60/455986160.db2.gz REJKRUFLZMEVEV-LDQXTDLNSA-N 2 1 342.458 3.359 20 0 EGADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)o1 ZINC000272588839 456004015 /nfs/dbraw/zinc/00/40/15/456004015.db2.gz RQXBOJWONGILBR-UAFMIMERSA-N 2 1 340.467 3.122 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC000270676684 456012379 /nfs/dbraw/zinc/01/23/79/456012379.db2.gz XQSZWKFDAYYJTD-LBPRGKRZSA-N 2 1 331.851 3.158 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262304158 456022393 /nfs/dbraw/zinc/02/23/93/456022393.db2.gz RARVIZCHMQHGHH-HLIPFELVSA-N 2 1 343.515 3.052 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1)C(C)C ZINC000272640816 456023051 /nfs/dbraw/zinc/02/30/51/456023051.db2.gz OHKWAARXWDTGMA-ICSRJNTNSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1)C(C)C ZINC000272640816 456023057 /nfs/dbraw/zinc/02/30/57/456023057.db2.gz OHKWAARXWDTGMA-ICSRJNTNSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1)C(C)C ZINC000272640816 456023063 /nfs/dbraw/zinc/02/30/63/456023063.db2.gz OHKWAARXWDTGMA-ICSRJNTNSA-N 2 1 343.515 3.083 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000272717542 456050976 /nfs/dbraw/zinc/05/09/76/456050976.db2.gz DKXMXAWIEUIQTP-MJGOQNOKSA-N 2 1 342.508 3.482 20 0 EGADMP CSC1(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000272863816 456095247 /nfs/dbraw/zinc/09/52/47/456095247.db2.gz VGSRDMVTBQUMMH-IEBWSBKVSA-N 2 1 348.556 3.399 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000263308783 456124039 /nfs/dbraw/zinc/12/40/39/456124039.db2.gz YGSRGQIFDDZRPS-XLBJILASSA-N 2 1 343.515 3.063 20 0 EGADMP C[C@H]1C[NH+](CCC2CCN(c3cc[nH+]cc3Cl)CC2)C[C@H](C)O1 ZINC000301585535 456152544 /nfs/dbraw/zinc/15/25/44/456152544.db2.gz VXWRGZUMGOQUQZ-GJZGRUSLSA-N 2 1 337.895 3.451 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000273041717 456156143 /nfs/dbraw/zinc/15/61/43/456156143.db2.gz WSIXDSLIVSNCEK-AWEZNQCLSA-N 2 1 341.381 3.134 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000273041717 456156151 /nfs/dbraw/zinc/15/61/51/456156151.db2.gz WSIXDSLIVSNCEK-AWEZNQCLSA-N 2 1 341.381 3.134 20 0 EGADMP CSc1cc2c(cc1C[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1)OCCO2 ZINC000271191771 456162642 /nfs/dbraw/zinc/16/26/42/456162642.db2.gz MEIUPEHTQOCGQD-UKRRQHHQSA-N 2 1 336.501 3.094 20 0 EGADMP CSc1cc2c(cc1C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1)OCCO2 ZINC000271191771 456162647 /nfs/dbraw/zinc/16/26/47/456162647.db2.gz MEIUPEHTQOCGQD-UKRRQHHQSA-N 2 1 336.501 3.094 20 0 EGADMP CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000281239058 456175139 /nfs/dbraw/zinc/17/51/39/456175139.db2.gz VDLALOADBGYANQ-CRAIPNDOSA-N 2 1 340.471 3.090 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000301762333 456207649 /nfs/dbraw/zinc/20/76/49/456207649.db2.gz NESUWFXNJLJNAJ-IAGOWNOFSA-N 2 1 339.524 3.096 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189144643 456239266 /nfs/dbraw/zinc/23/92/66/456239266.db2.gz RSALARFULRAUNS-HNNXBMFYSA-N 2 1 341.434 3.001 20 0 EGADMP CC(C)[C@@H](CNCc1ncc(C[NH+](C)C)s1)[NH+]1CCCCCC1 ZINC000352777114 456296588 /nfs/dbraw/zinc/29/65/88/456296588.db2.gz AIDAXVXWIDWFHL-QGZVFWFLSA-N 2 1 338.565 3.195 20 0 EGADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352783309 456302964 /nfs/dbraw/zinc/30/29/64/456302964.db2.gz XQJWYFCKRANIKW-GJZGRUSLSA-N 2 1 338.565 3.051 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000290357902 456303451 /nfs/dbraw/zinc/30/34/51/456303451.db2.gz GOMWZPDMSXTLIG-UHFFFAOYSA-N 2 1 329.444 3.359 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000290357902 456303458 /nfs/dbraw/zinc/30/34/58/456303458.db2.gz GOMWZPDMSXTLIG-UHFFFAOYSA-N 2 1 329.444 3.359 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cncc(Br)c3)C2)CC1 ZINC000290364841 456307340 /nfs/dbraw/zinc/30/73/40/456307340.db2.gz HCQVPITWGYZMMM-HNNXBMFYSA-N 2 1 338.293 3.008 20 0 EGADMP CCOC1CC([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000290385553 456313509 /nfs/dbraw/zinc/31/35/09/456313509.db2.gz IIXNJJUSHSMIOU-UHFFFAOYSA-N 2 1 345.531 3.216 20 0 EGADMP C[N@H+]1CC[C@@H](NC2CC[NH+](C3CCC3)CC2)C[C@@H]1c1ccccc1 ZINC000340204646 456313512 /nfs/dbraw/zinc/31/35/12/456313512.db2.gz YFCHOCLILCQHCC-TZIWHRDSSA-N 2 1 327.516 3.428 20 0 EGADMP C[N@H+]1CC[C@H](NCC(=O)Nc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000340215892 456319434 /nfs/dbraw/zinc/31/94/34/456319434.db2.gz KYXGYJCWKRIKKF-OALUTQOASA-N 2 1 341.430 3.189 20 0 EGADMP CN1CC[C@H]([NH2+]CC(=O)Nc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000340215892 456319440 /nfs/dbraw/zinc/31/94/40/456319440.db2.gz KYXGYJCWKRIKKF-OALUTQOASA-N 2 1 341.430 3.189 20 0 EGADMP CSc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000352809237 456327255 /nfs/dbraw/zinc/32/72/55/456327255.db2.gz GMBDUMRIRVXKRV-CYBMUJFWSA-N 2 1 326.531 3.061 20 0 EGADMP CCOc1c(OC)cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000290440424 456327999 /nfs/dbraw/zinc/32/79/99/456327999.db2.gz LUNKICPWPNOSJA-SJORKVTESA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000290440424 456328017 /nfs/dbraw/zinc/32/80/17/456328017.db2.gz LUNKICPWPNOSJA-SJORKVTESA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1OC ZINC000290440424 456328021 /nfs/dbraw/zinc/32/80/21/456328021.db2.gz LUNKICPWPNOSJA-SJORKVTESA-N 2 1 348.487 3.019 20 0 EGADMP CCOc1c(OC)cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1OC ZINC000290440424 456328029 /nfs/dbraw/zinc/32/80/29/456328029.db2.gz LUNKICPWPNOSJA-SJORKVTESA-N 2 1 348.487 3.019 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnn(Cc4ccccc4)c3)C2)CC1 ZINC000290450346 456331225 /nfs/dbraw/zinc/33/12/25/456331225.db2.gz MILZNRILRPYRRM-NRFANRHFSA-N 2 1 338.499 3.095 20 0 EGADMP CN(C)C(=O)C1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCCC1 ZINC000340240220 456334145 /nfs/dbraw/zinc/33/41/45/456334145.db2.gz GYCVWNXQFGQTHE-MOPGFXCFSA-N 2 1 343.515 3.060 20 0 EGADMP CN(C)C(=O)C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCCC1 ZINC000340240220 456334153 /nfs/dbraw/zinc/33/41/53/456334153.db2.gz GYCVWNXQFGQTHE-MOPGFXCFSA-N 2 1 343.515 3.060 20 0 EGADMP C[N@H+]1CCCC[C@H]1CCN1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824808 456340124 /nfs/dbraw/zinc/34/01/24/456340124.db2.gz NGOBKBJSLYUARB-FCHUYYIVSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCCC[C@H]1CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352824808 456340134 /nfs/dbraw/zinc/34/01/34/456340134.db2.gz NGOBKBJSLYUARB-FCHUYYIVSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCCC[C@H]1CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352824808 456340140 /nfs/dbraw/zinc/34/01/40/456340140.db2.gz NGOBKBJSLYUARB-FCHUYYIVSA-N 2 1 341.543 3.459 20 0 EGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000298000855 456341313 /nfs/dbraw/zinc/34/13/13/456341313.db2.gz ZNHSKUWDHLVLOP-GOSISDBHSA-N 2 1 345.531 3.216 20 0 EGADMP CC(=O)Nc1ccc(C[N@@H+](Cc2ccco2)C2CCN(C)CC2)cc1 ZINC000290510569 456350029 /nfs/dbraw/zinc/35/00/29/456350029.db2.gz PNPQRFNVKVEHRD-UHFFFAOYSA-N 2 1 341.455 3.334 20 0 EGADMP CC(=O)Nc1ccc(C[N@H+](Cc2ccco2)C2CCN(C)CC2)cc1 ZINC000290510569 456350033 /nfs/dbraw/zinc/35/00/33/456350033.db2.gz PNPQRFNVKVEHRD-UHFFFAOYSA-N 2 1 341.455 3.334 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(Cc2ncnn2-c2ccccc2)CC1 ZINC000281944376 456369100 /nfs/dbraw/zinc/36/91/00/456369100.db2.gz JCADQNDURWPWIH-UHFFFAOYSA-N 2 1 341.503 3.211 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ncnn2-c2ccccc2)CC1 ZINC000281944376 456369103 /nfs/dbraw/zinc/36/91/03/456369103.db2.gz JCADQNDURWPWIH-UHFFFAOYSA-N 2 1 341.503 3.211 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ncnn2-c2ccccc2)CC1 ZINC000281944376 456369105 /nfs/dbraw/zinc/36/91/05/456369105.db2.gz JCADQNDURWPWIH-UHFFFAOYSA-N 2 1 341.503 3.211 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[N@H+](CC)C[C@@H]1C)c1cccc(OC)c1 ZINC000343051767 456372514 /nfs/dbraw/zinc/37/25/14/456372514.db2.gz SDLRLNPYXPGHAV-PWIZWCRZSA-N 2 1 333.520 3.008 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[N@@H+](CC)C[C@@H]1C)c1cccc(OC)c1 ZINC000343051767 456372523 /nfs/dbraw/zinc/37/25/23/456372523.db2.gz SDLRLNPYXPGHAV-PWIZWCRZSA-N 2 1 333.520 3.008 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298252731 456404958 /nfs/dbraw/zinc/40/49/58/456404958.db2.gz DOCFMGFCHJTOLF-GOSISDBHSA-N 3 1 330.520 3.152 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)n1cncn1 ZINC000290703767 456409098 /nfs/dbraw/zinc/40/90/98/456409098.db2.gz NMXFFPPSTZJMSG-ZHALLVOQSA-N 2 1 341.503 3.044 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)n1cncn1 ZINC000290703767 456409104 /nfs/dbraw/zinc/40/91/04/456409104.db2.gz NMXFFPPSTZJMSG-ZHALLVOQSA-N 2 1 341.503 3.044 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340369590 456418367 /nfs/dbraw/zinc/41/83/67/456418367.db2.gz FJGMYLFCAMIFRL-CTNGQTDRSA-N 3 1 327.516 3.286 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340369590 456418372 /nfs/dbraw/zinc/41/83/72/456418372.db2.gz FJGMYLFCAMIFRL-CTNGQTDRSA-N 3 1 327.516 3.286 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+]([C@@H]3C[C@H]3c3ccccc3)CC2)C[C@H](C)O1 ZINC000353059498 456466859 /nfs/dbraw/zinc/46/68/59/456466859.db2.gz WNVXPLKHHFBRHZ-KJNZLNQQSA-N 2 1 328.500 3.364 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340455060 456469241 /nfs/dbraw/zinc/46/92/41/456469241.db2.gz QSADBAQOOGGQFX-XIRDDKMYSA-N 2 1 328.435 3.289 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(OCC)CCCC2)[C@H](C)C1 ZINC000340466186 456475987 /nfs/dbraw/zinc/47/59/87/456475987.db2.gz PTRXKWDERUTZSU-MSOLQXFVSA-N 2 1 326.525 3.062 20 0 EGADMP COc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(C(F)(F)F)c1 ZINC000298552558 456488200 /nfs/dbraw/zinc/48/82/00/456488200.db2.gz UXXDERZAFQRYNZ-UHFFFAOYSA-N 2 1 328.378 3.430 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCO[C@H]1CCCCO1 ZINC000282371820 456493752 /nfs/dbraw/zinc/49/37/52/456493752.db2.gz CEDKDTUVVZHNIZ-UXHICEINSA-N 2 1 346.515 3.420 20 0 EGADMP O=C(Nc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1)c1ccco1 ZINC000298574041 456493753 /nfs/dbraw/zinc/49/37/53/456493753.db2.gz XFZBZECVEZMVGC-UHFFFAOYSA-N 2 1 339.439 3.248 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCO[C@H]1CCCCO1 ZINC000282371820 456493757 /nfs/dbraw/zinc/49/37/57/456493757.db2.gz CEDKDTUVVZHNIZ-UXHICEINSA-N 2 1 346.515 3.420 20 0 EGADMP C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccncc1F ZINC000340511056 456500631 /nfs/dbraw/zinc/50/06/31/456500631.db2.gz YGXXZQIGWLGUSD-WMZOPIPTSA-N 2 1 343.446 3.162 20 0 EGADMP Cc1nc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000348138620 456510125 /nfs/dbraw/zinc/51/01/25/456510125.db2.gz FZMZNWADNGYCRU-DNVCBOLYSA-N 2 1 327.472 3.334 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1csc(Cl)c1 ZINC000276560696 456515600 /nfs/dbraw/zinc/51/56/00/456515600.db2.gz RRIGGAAAALOVHP-TUKIKUTGSA-N 2 1 328.909 3.430 20 0 EGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cncc(Br)c1 ZINC000657825085 462285864 /nfs/dbraw/zinc/28/58/64/462285864.db2.gz WKTYPRSEXPBACB-ZDUSSCGKSA-N 2 1 326.282 3.371 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353146768 456520514 /nfs/dbraw/zinc/52/05/14/456520514.db2.gz NCKQRZDXIHDRGG-XYPWUTKMSA-N 2 1 333.451 3.020 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353146768 456520520 /nfs/dbraw/zinc/52/05/20/456520520.db2.gz NCKQRZDXIHDRGG-XYPWUTKMSA-N 2 1 333.451 3.020 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353146768 456520525 /nfs/dbraw/zinc/52/05/25/456520525.db2.gz NCKQRZDXIHDRGG-XYPWUTKMSA-N 2 1 333.451 3.020 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000282466256 456524428 /nfs/dbraw/zinc/52/44/28/456524428.db2.gz OZTAOGZXQYIFLJ-HOJAQTOUSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000282466256 456524433 /nfs/dbraw/zinc/52/44/33/456524433.db2.gz OZTAOGZXQYIFLJ-HOJAQTOUSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000282466256 456524438 /nfs/dbraw/zinc/52/44/38/456524438.db2.gz OZTAOGZXQYIFLJ-HOJAQTOUSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000305132717 456529520 /nfs/dbraw/zinc/52/95/20/456529520.db2.gz KPVBZVWMCSIAKH-JKSUJKDBSA-N 2 1 337.508 3.039 20 0 EGADMP COc1ccnc(CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000282515313 456538150 /nfs/dbraw/zinc/53/81/50/456538150.db2.gz OWKILVSGPOYTAF-FQEVSTJZSA-N 2 1 339.483 3.481 20 0 EGADMP COc1cc2[nH+]ccc(N(C)CCCn3cc[nH+]c3C)c2cc1OC ZINC000298893482 456564131 /nfs/dbraw/zinc/56/41/31/456564131.db2.gz MLGOSMLFTRTWRX-UHFFFAOYSA-N 2 1 340.427 3.283 20 0 EGADMP O[C@]1(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000348250119 456570467 /nfs/dbraw/zinc/57/04/67/456570467.db2.gz WCRDCQZYFQOPDQ-BDTNDASRSA-N 2 1 336.479 3.017 20 0 EGADMP O[C@]1(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000348250119 456570471 /nfs/dbraw/zinc/57/04/71/456570471.db2.gz WCRDCQZYFQOPDQ-BDTNDASRSA-N 2 1 336.479 3.017 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000310563740 456583125 /nfs/dbraw/zinc/58/31/25/456583125.db2.gz WQSGZLIRBXOVQB-BRWVUGGUSA-N 2 1 339.524 3.286 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000310563740 456583127 /nfs/dbraw/zinc/58/31/27/456583127.db2.gz WQSGZLIRBXOVQB-BRWVUGGUSA-N 2 1 339.524 3.286 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc21 ZINC000282748223 456612970 /nfs/dbraw/zinc/61/29/70/456612970.db2.gz AOKCAGYFPBJNPR-MOPGFXCFSA-N 2 1 328.456 3.020 20 0 EGADMP Cc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(-c2cnn(C)c2)c1 ZINC000282800005 456628780 /nfs/dbraw/zinc/62/87/80/456628780.db2.gz NAWJLFQAYXSPCC-KRWDZBQOSA-N 2 1 326.488 3.169 20 0 EGADMP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000282800005 456628787 /nfs/dbraw/zinc/62/87/87/456628787.db2.gz NAWJLFQAYXSPCC-KRWDZBQOSA-N 2 1 326.488 3.169 20 0 EGADMP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000282800005 456628793 /nfs/dbraw/zinc/62/87/93/456628793.db2.gz NAWJLFQAYXSPCC-KRWDZBQOSA-N 2 1 326.488 3.169 20 0 EGADMP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(-c2cnn(C)c2)c1 ZINC000282822707 456636060 /nfs/dbraw/zinc/63/60/60/456636060.db2.gz PLTGMNRUVKEYCV-UHFFFAOYSA-N 2 1 326.488 3.169 20 0 EGADMP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1cccc(Cl)c1 ZINC000321456627 456638996 /nfs/dbraw/zinc/63/89/96/456638996.db2.gz YCVQERGQHBLVIQ-IAGOWNOFSA-N 2 1 335.879 3.275 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1cccc(Cl)c1 ZINC000321456627 456639000 /nfs/dbraw/zinc/63/90/00/456639000.db2.gz YCVQERGQHBLVIQ-IAGOWNOFSA-N 2 1 335.879 3.275 20 0 EGADMP Cc1ncc(C[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)n1C ZINC000668043034 462387404 /nfs/dbraw/zinc/38/74/04/462387404.db2.gz HSYWMXIVPPHMSP-UHFFFAOYSA-N 2 1 327.350 3.258 20 0 EGADMP Cc1ncc(C[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)n1C ZINC000668043034 462387411 /nfs/dbraw/zinc/38/74/11/462387411.db2.gz HSYWMXIVPPHMSP-UHFFFAOYSA-N 2 1 327.350 3.258 20 0 EGADMP CN(c1ccccc1C[N@@H+](C)CC[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000343492944 456657520 /nfs/dbraw/zinc/65/75/20/456657520.db2.gz OIKYXIWQCYKEED-FQEVSTJZSA-N 2 1 345.531 3.218 20 0 EGADMP COc1cccc2c(N3C[C@@H]([NH+](C)C)[C@@H](SC)C3)cc(C)[nH+]c12 ZINC000340743326 456663090 /nfs/dbraw/zinc/66/30/90/456663090.db2.gz MADWFWLRTOLPNO-WBVHZDCISA-N 2 1 331.485 3.034 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)OCc1ccccc1 ZINC000277112102 456684760 /nfs/dbraw/zinc/68/47/60/456684760.db2.gz HFAHRDDFGLXPRK-UHFFFAOYSA-N 2 1 343.471 3.291 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)OCc1ccccc1 ZINC000277112102 456684769 /nfs/dbraw/zinc/68/47/69/456684769.db2.gz HFAHRDDFGLXPRK-UHFFFAOYSA-N 2 1 343.471 3.291 20 0 EGADMP C[C@H](C[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2)C[NH+](C)C ZINC000291755398 456745068 /nfs/dbraw/zinc/74/50/68/456745068.db2.gz QSAGCYAMCFIMNM-OAHLLOKOSA-N 2 1 347.503 3.272 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000343632403 456759659 /nfs/dbraw/zinc/75/96/59/456759659.db2.gz AHFYSSVRTFPANH-KSZLIROESA-N 2 1 343.515 3.201 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(=O)[nH]n1 ZINC000353621330 456809802 /nfs/dbraw/zinc/80/98/02/456809802.db2.gz LZCZSHLQGXLYEW-SOLBZPMBSA-N 2 1 340.471 3.134 20 0 EGADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000291969404 456814899 /nfs/dbraw/zinc/81/48/99/456814899.db2.gz RYXNYDIPMPWCJQ-XIRDDKMYSA-N 2 1 342.405 3.155 20 0 EGADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H](O)c3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000291969404 456814904 /nfs/dbraw/zinc/81/49/04/456814904.db2.gz RYXNYDIPMPWCJQ-XIRDDKMYSA-N 2 1 342.405 3.155 20 0 EGADMP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000338434435 456817213 /nfs/dbraw/zinc/81/72/13/456817213.db2.gz BMFRTFAFXQCDEW-ZWKOTPCHSA-N 2 1 343.515 3.133 20 0 EGADMP CCO[C@H]1COCC[C@@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000353670937 456844307 /nfs/dbraw/zinc/84/43/07/456844307.db2.gz BRRNKEYHMFJILO-JSRAGOMMSA-N 2 1 346.515 3.213 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)CC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000292108772 456856989 /nfs/dbraw/zinc/85/69/89/456856989.db2.gz PEVFJXIDGONNMR-MISYRCLQSA-N 2 1 343.515 3.030 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(OC)c(OC)cc2OC)C[C@@H]1C ZINC000353752087 456890019 /nfs/dbraw/zinc/89/00/19/456890019.db2.gz ZWTRDRUSUCXPFK-GOEBONIOSA-N 2 1 336.476 3.017 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(N(C)CC)nc1 ZINC000349191210 456907939 /nfs/dbraw/zinc/90/79/39/456907939.db2.gz NYZZUWMDAOECAW-UHFFFAOYSA-N 2 1 329.492 3.209 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(N(C)CC)nc1 ZINC000349191210 456907945 /nfs/dbraw/zinc/90/79/45/456907945.db2.gz NYZZUWMDAOECAW-UHFFFAOYSA-N 2 1 329.492 3.209 20 0 EGADMP C[C@H](Cn1cccn1)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000345155488 456945424 /nfs/dbraw/zinc/94/54/24/456945424.db2.gz IRFWHKFXWPWZEU-ZWKOTPCHSA-N 2 1 326.488 3.293 20 0 EGADMP CC[N@@H+](CCOc1ccc(Br)cc1)[C@H]1CCC[NH2+]CC1 ZINC000345196108 456963605 /nfs/dbraw/zinc/96/36/05/456963605.db2.gz DCYHIYFXNBDKHD-HNNXBMFYSA-N 2 1 341.293 3.292 20 0 EGADMP CC[N@H+](CCC[NH+](C)C)Cc1cccc(I)c1 ZINC000349411053 456964236 /nfs/dbraw/zinc/96/42/36/456964236.db2.gz WLIMFDIHRROLSJ-UHFFFAOYSA-N 2 1 346.256 3.065 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(I)c1 ZINC000349411053 456964242 /nfs/dbraw/zinc/96/42/42/456964242.db2.gz WLIMFDIHRROLSJ-UHFFFAOYSA-N 2 1 346.256 3.065 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000341856686 456974159 /nfs/dbraw/zinc/97/41/59/456974159.db2.gz ZFRXDFULEFNEBX-VQIMIIECSA-N 2 1 329.488 3.055 20 0 EGADMP COc1ccc(CC[N@@H+](CCn2ccnc2C)CC(C)C)cc1OC ZINC000346315499 457030318 /nfs/dbraw/zinc/03/03/18/457030318.db2.gz SMXZVUREPZLNMR-UHFFFAOYSA-N 2 1 345.487 3.409 20 0 EGADMP COc1ccc(CC[N@H+](CCn2cc[nH+]c2C)CC(C)C)cc1OC ZINC000346315499 457030321 /nfs/dbraw/zinc/03/03/21/457030321.db2.gz SMXZVUREPZLNMR-UHFFFAOYSA-N 2 1 345.487 3.409 20 0 EGADMP COc1ccc(CC[N@@H+](CCn2cc[nH+]c2C)CC(C)C)cc1OC ZINC000346315499 457030326 /nfs/dbraw/zinc/03/03/26/457030326.db2.gz SMXZVUREPZLNMR-UHFFFAOYSA-N 2 1 345.487 3.409 20 0 EGADMP c1c[nH]c(CN2CC[NH+](Cc3ccc(-c4ccccc4)s3)CC2)n1 ZINC000349833201 457070110 /nfs/dbraw/zinc/07/01/10/457070110.db2.gz QVULKXOZRRCKTL-UHFFFAOYSA-N 2 1 338.480 3.456 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346644921 457087620 /nfs/dbraw/zinc/08/76/20/457087620.db2.gz NORIKTMNNYADJH-BEFAXECRSA-N 2 1 326.488 3.026 20 0 EGADMP CC1=CC[N@@H+](CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000349972708 457128874 /nfs/dbraw/zinc/12/88/74/457128874.db2.gz MAEHKOSQSIDLKO-UHFFFAOYSA-N 2 1 341.499 3.054 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@@H]21 ZINC000342141406 457132737 /nfs/dbraw/zinc/13/27/37/457132737.db2.gz POYXPOHXZPTPPZ-DZFGPLHGSA-N 2 1 337.467 3.220 20 0 EGADMP CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1OC(F)F ZINC000346825146 457178690 /nfs/dbraw/zinc/17/86/90/457178690.db2.gz LHYMSEOSNGKKMW-CFVMTHIKSA-N 2 1 340.414 3.246 20 0 EGADMP CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1OC(F)F ZINC000346825146 457178693 /nfs/dbraw/zinc/17/86/93/457178693.db2.gz LHYMSEOSNGKKMW-CFVMTHIKSA-N 2 1 340.414 3.246 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000346959052 457191885 /nfs/dbraw/zinc/19/18/85/457191885.db2.gz CUHYBKAJNIQKJM-ROUUACIJSA-N 2 1 345.531 3.276 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000347039001 457198043 /nfs/dbraw/zinc/19/80/43/457198043.db2.gz ZLMCYOBMPFEYOV-QZTJIDSGSA-N 2 1 345.531 3.276 20 0 EGADMP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1)CC1CC1 ZINC000356890469 457200595 /nfs/dbraw/zinc/20/05/95/457200595.db2.gz HAQVIWBZFDVTKP-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1)CC1CC1 ZINC000356890469 457200598 /nfs/dbraw/zinc/20/05/98/457200598.db2.gz HAQVIWBZFDVTKP-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1)CC1CC1 ZINC000356890469 457200601 /nfs/dbraw/zinc/20/06/01/457200601.db2.gz HAQVIWBZFDVTKP-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000360057796 457231462 /nfs/dbraw/zinc/23/14/62/457231462.db2.gz VVBZLBILMKUYMP-KRWDZBQOSA-N 2 1 327.472 3.368 20 0 EGADMP Cc1nn2c(C[NH2+]CC(C)(C)C[NH+]3CCCC3)c(C(C)C)nc2s1 ZINC000360169567 457286646 /nfs/dbraw/zinc/28/66/46/457286646.db2.gz UBQDXCHJQFZYHP-UHFFFAOYSA-N 2 1 349.548 3.434 20 0 EGADMP CC(C)[C@@H]1C[NH+]([C@@H](C)CC[N@H+]2CCCO[C@H](C(C)C)C2)CCCO1 ZINC000339835405 457301005 /nfs/dbraw/zinc/30/10/05/457301005.db2.gz XHKZPHGQFZEBGL-UFYCRDLUSA-N 2 1 340.552 3.259 20 0 EGADMP CC(C)[C@@H]1C[NH+](CC[C@H](C)[N@@H+]2CCCO[C@H](C(C)C)C2)CCCO1 ZINC000339835405 457301010 /nfs/dbraw/zinc/30/10/10/457301010.db2.gz XHKZPHGQFZEBGL-UFYCRDLUSA-N 2 1 340.552 3.259 20 0 EGADMP CC(C)[C@@H]1C[NH+](CC[C@H](C)[N@H+]2CCCO[C@H](C(C)C)C2)CCCO1 ZINC000339835405 457301017 /nfs/dbraw/zinc/30/10/17/457301017.db2.gz XHKZPHGQFZEBGL-UFYCRDLUSA-N 2 1 340.552 3.259 20 0 EGADMP c1nc2ccccc2n1-c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357109212 457327306 /nfs/dbraw/zinc/32/73/06/457327306.db2.gz WTHSTDNGQLTWLF-ROUUACIJSA-N 2 1 332.451 3.067 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000360842161 457379000 /nfs/dbraw/zinc/37/90/00/457379000.db2.gz VOWNUAAPUMNSKJ-HXUWFJFHSA-N 2 1 329.532 3.416 20 0 EGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000352496224 457415718 /nfs/dbraw/zinc/41/57/18/457415718.db2.gz SXQLZKTVQSEPMJ-HNNXBMFYSA-N 2 1 343.393 3.237 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000363743592 457438309 /nfs/dbraw/zinc/43/83/09/457438309.db2.gz OJILGYVVXWSBJB-MRXNPFEDSA-N 2 1 348.491 3.027 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352546066 457456569 /nfs/dbraw/zinc/45/65/69/457456569.db2.gz OYJFJEZWJKNFQJ-HXUWFJFHSA-N 2 1 342.462 3.204 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352546066 457456575 /nfs/dbraw/zinc/45/65/75/457456575.db2.gz OYJFJEZWJKNFQJ-HXUWFJFHSA-N 2 1 342.462 3.204 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000395653038 457478469 /nfs/dbraw/zinc/47/84/69/457478469.db2.gz YYNPQGLTZHWTTG-QXAKKESOSA-N 2 1 345.531 3.037 20 0 EGADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(Cl)c1OC ZINC000397281504 457486226 /nfs/dbraw/zinc/48/62/26/457486226.db2.gz DNVMVUAQSIPPOY-DYEKYZERSA-N 2 1 326.868 3.162 20 0 EGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(Cl)c1OC ZINC000397281504 457486237 /nfs/dbraw/zinc/48/62/37/457486237.db2.gz DNVMVUAQSIPPOY-DYEKYZERSA-N 2 1 326.868 3.162 20 0 EGADMP C[N@@H+](CCSCc1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370033334 457511279 /nfs/dbraw/zinc/51/12/79/457511279.db2.gz ZCVDXPNIPGJYKJ-FQEVSTJZSA-N 2 1 347.572 3.020 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000400356017 457513096 /nfs/dbraw/zinc/51/30/96/457513096.db2.gz OOAYDXBWXIUDNY-HNNXBMFYSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)CN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000370089750 457538311 /nfs/dbraw/zinc/53/83/11/457538311.db2.gz NWNXSFAPPDIWDQ-SFHVURJKSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000361077376 457568580 /nfs/dbraw/zinc/56/85/80/457568580.db2.gz AZBPZTNHRJTUEP-PMACEKPBSA-N 2 1 343.515 3.036 20 0 EGADMP C[NH+](C)Cc1cnc(CNc2cccc(CC[N@H+](C)C3CC3)c2)s1 ZINC000352740641 457574391 /nfs/dbraw/zinc/57/43/91/457574391.db2.gz YHKSFEAHFCQSFO-UHFFFAOYSA-N 2 1 344.528 3.454 20 0 EGADMP C[NH+](C)Cc1cnc(CNc2cccc(CC[N@@H+](C)C3CC3)c2)s1 ZINC000352740641 457574400 /nfs/dbraw/zinc/57/44/00/457574400.db2.gz YHKSFEAHFCQSFO-UHFFFAOYSA-N 2 1 344.528 3.454 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000364450952 457609006 /nfs/dbraw/zinc/60/90/06/457609006.db2.gz UPSXPTWMUOIQJF-SNRMKQJTSA-N 2 1 344.503 3.494 20 0 EGADMP CCOC(CN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)OCC ZINC000374518573 457646891 /nfs/dbraw/zinc/64/68/91/457646891.db2.gz HDHZSQAUJSQFAH-GOSISDBHSA-N 2 1 334.504 3.276 20 0 EGADMP CCn1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1=O ZINC000361431380 457730065 /nfs/dbraw/zinc/73/00/65/457730065.db2.gz CQEVZLXOHCUOKT-YLJYHZDGSA-N 2 1 339.483 3.011 20 0 EGADMP CCn1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1=O ZINC000361431380 457730069 /nfs/dbraw/zinc/73/00/69/457730069.db2.gz CQEVZLXOHCUOKT-YLJYHZDGSA-N 2 1 339.483 3.011 20 0 EGADMP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000433217790 457782532 /nfs/dbraw/zinc/78/25/32/457782532.db2.gz DFUPYEKQKHMXOX-LJQANCHMSA-N 2 1 329.488 3.484 20 0 EGADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358111825 457792246 /nfs/dbraw/zinc/79/22/46/457792246.db2.gz NCWSTWYHLQVGLA-ZWOKBUDYSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358111825 457792255 /nfs/dbraw/zinc/79/22/55/457792255.db2.gz NCWSTWYHLQVGLA-ZWOKBUDYSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358111825 457792261 /nfs/dbraw/zinc/79/22/61/457792261.db2.gz NCWSTWYHLQVGLA-ZWOKBUDYSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000358154993 457819766 /nfs/dbraw/zinc/81/97/66/457819766.db2.gz JJYZDLZZTSUSQX-GOEBONIOSA-N 2 1 330.501 3.068 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc3ccccc3n2C(F)F)[C@@H](C)C1 ZINC000358164658 457827985 /nfs/dbraw/zinc/82/79/85/457827985.db2.gz IHJWSMWHHIJHHW-KBPBESRZSA-N 2 1 336.430 3.294 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCSc1ccccc1F ZINC000371294116 457853525 /nfs/dbraw/zinc/85/35/25/457853525.db2.gz JDBQHPSFYXTQPZ-DJIMGWMZSA-N 2 1 338.492 3.101 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCSc1ccccc1F ZINC000371294116 457853531 /nfs/dbraw/zinc/85/35/31/457853531.db2.gz JDBQHPSFYXTQPZ-DJIMGWMZSA-N 2 1 338.492 3.101 20 0 EGADMP CC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H](O)C(F)(F)F ZINC000411572559 457921852 /nfs/dbraw/zinc/92/18/52/457921852.db2.gz REDGBXCROBUGNS-QGZVFWFLSA-N 2 1 344.421 3.418 20 0 EGADMP CC[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H](O)C(F)(F)F ZINC000411572559 457921853 /nfs/dbraw/zinc/92/18/53/457921853.db2.gz REDGBXCROBUGNS-QGZVFWFLSA-N 2 1 344.421 3.418 20 0 EGADMP O[C@]1(C[NH2+][C@H]2CCc3cc(F)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000361893050 457936405 /nfs/dbraw/zinc/93/64/05/457936405.db2.gz WZVUFIMPFNLFQB-SFTDATJTSA-N 2 1 340.442 3.040 20 0 EGADMP O[C@]1(C[NH2+][C@H]2CCc3cc(F)ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000361893050 457936411 /nfs/dbraw/zinc/93/64/11/457936411.db2.gz WZVUFIMPFNLFQB-SFTDATJTSA-N 2 1 340.442 3.040 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@]2(CCOC2)O1 ZINC000411658583 457942331 /nfs/dbraw/zinc/94/23/31/457942331.db2.gz CPJAKSXCQMUXRJ-RXVVDRJESA-N 2 1 344.499 3.052 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@]2(CCOC2)O1 ZINC000411658583 457942340 /nfs/dbraw/zinc/94/23/40/457942340.db2.gz CPJAKSXCQMUXRJ-RXVVDRJESA-N 2 1 344.499 3.052 20 0 EGADMP c1nc2ccccc2n1-c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427124381 457947467 /nfs/dbraw/zinc/94/74/67/457947467.db2.gz QYYNEKXCUBQTSF-HKUYNNGSSA-N 2 1 332.451 3.209 20 0 EGADMP OC[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCC1(F)F ZINC000411746026 457969488 /nfs/dbraw/zinc/96/94/88/457969488.db2.gz NSOKZWHVJSAPFD-GOSISDBHSA-N 2 1 338.442 3.122 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC000358449173 458010840 /nfs/dbraw/zinc/01/08/40/458010840.db2.gz SLGAPQPSEWUUDS-QRVBRYPASA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358449173 458010845 /nfs/dbraw/zinc/01/08/45/458010845.db2.gz SLGAPQPSEWUUDS-QRVBRYPASA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000358449173 458010852 /nfs/dbraw/zinc/01/08/52/458010852.db2.gz SLGAPQPSEWUUDS-QRVBRYPASA-N 2 1 349.563 3.362 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000362025922 458011509 /nfs/dbraw/zinc/01/15/09/458011509.db2.gz LNSDLAACHJCLPD-CRAIPNDOSA-N 2 1 332.492 3.085 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCCOc1ccccc1)C1CCOCC1 ZINC000362244870 458048976 /nfs/dbraw/zinc/04/89/76/458048976.db2.gz FZTNDGKSTKDUAP-LJQANCHMSA-N 2 1 346.515 3.421 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000362244870 458048982 /nfs/dbraw/zinc/04/89/82/458048982.db2.gz FZTNDGKSTKDUAP-LJQANCHMSA-N 2 1 346.515 3.421 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000362244870 458048987 /nfs/dbraw/zinc/04/89/87/458048987.db2.gz FZTNDGKSTKDUAP-LJQANCHMSA-N 2 1 346.515 3.421 20 0 EGADMP Cc1nccn1CCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375755715 458050076 /nfs/dbraw/zinc/05/00/76/458050076.db2.gz UDPSABOXLVILAB-OAQYLSRUSA-N 3 1 338.499 3.180 20 0 EGADMP Cc1nccn1CCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375755715 458050084 /nfs/dbraw/zinc/05/00/84/458050084.db2.gz UDPSABOXLVILAB-OAQYLSRUSA-N 3 1 338.499 3.180 20 0 EGADMP Cc1nccn1CCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375755715 458050091 /nfs/dbraw/zinc/05/00/91/458050091.db2.gz UDPSABOXLVILAB-OAQYLSRUSA-N 3 1 338.499 3.180 20 0 EGADMP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428045936 458071537 /nfs/dbraw/zinc/07/15/37/458071537.db2.gz SEOSADKMXCCXSP-AZUAARDMSA-N 2 1 335.451 3.123 20 0 EGADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428045936 458071541 /nfs/dbraw/zinc/07/15/41/458071541.db2.gz SEOSADKMXCCXSP-AZUAARDMSA-N 2 1 335.451 3.123 20 0 EGADMP C[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375818372 458080776 /nfs/dbraw/zinc/08/07/76/458080776.db2.gz WCRJDPQIHIZXMV-CDHQVMDDSA-N 2 1 347.934 3.285 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1)C1CC1 ZINC000428148496 458086597 /nfs/dbraw/zinc/08/65/97/458086597.db2.gz XULRZZFTEDAFKI-KXBFYZLASA-N 2 1 329.488 3.013 20 0 EGADMP Cc1cnc([C@@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000428221681 458100469 /nfs/dbraw/zinc/10/04/69/458100469.db2.gz LFLDJMGVAKFGCG-FGTMMUONSA-N 2 1 346.519 3.057 20 0 EGADMP CCc1nc(C)c(C[NH+]2CCC(CCC[N@@H+](C)CCOC)CC2)o1 ZINC000428290022 458113602 /nfs/dbraw/zinc/11/36/02/458113602.db2.gz WBUGUKMSVROUEZ-UHFFFAOYSA-N 2 1 337.508 3.116 20 0 EGADMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(-c2ccccc2)n1 ZINC000369199694 458120381 /nfs/dbraw/zinc/12/03/81/458120381.db2.gz ZGBMBDCCZDFBIA-UHFFFAOYSA-N 2 1 338.499 3.395 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000435372421 458122583 /nfs/dbraw/zinc/12/25/83/458122583.db2.gz APVOTJXZOQUZPQ-DOMZBBRYSA-N 2 1 332.879 3.312 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000435380687 458128623 /nfs/dbraw/zinc/12/86/23/458128623.db2.gz SUBYFTYJXHBETM-DOMZBBRYSA-N 2 1 348.441 3.327 20 0 EGADMP CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@H]1C ZINC000412229430 458136435 /nfs/dbraw/zinc/13/64/35/458136435.db2.gz JPVDSELUTPAJHY-QZTJIDSGSA-N 2 1 343.515 3.227 20 0 EGADMP CCOc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000435397813 458137529 /nfs/dbraw/zinc/13/75/29/458137529.db2.gz KWOHTXRTWYJQHV-AWEZNQCLSA-N 2 1 346.393 3.197 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000435397813 458137535 /nfs/dbraw/zinc/13/75/35/458137535.db2.gz KWOHTXRTWYJQHV-AWEZNQCLSA-N 2 1 346.393 3.197 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000358668908 458140911 /nfs/dbraw/zinc/14/09/11/458140911.db2.gz UBGMLTCHCFQMTK-YJBOKZPZSA-N 2 1 335.923 3.377 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC000358668908 458140912 /nfs/dbraw/zinc/14/09/12/458140912.db2.gz UBGMLTCHCFQMTK-YJBOKZPZSA-N 2 1 335.923 3.377 20 0 EGADMP C[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435438562 458148446 /nfs/dbraw/zinc/14/84/46/458148446.db2.gz QBUGIDJZRUXODZ-ZDUSSCGKSA-N 2 1 334.357 3.341 20 0 EGADMP C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCCCC1 ZINC000358733683 458178092 /nfs/dbraw/zinc/17/80/92/458178092.db2.gz IBVXCABSTUWNCR-AZUAARDMSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Cl)s3)C2)CC1 ZINC000369398248 458202698 /nfs/dbraw/zinc/20/26/98/458202698.db2.gz MNQQUKRBRTXKCO-CQSZACIVSA-N 2 1 327.925 3.002 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Cl)s3)C2)CC1 ZINC000369398248 458202702 /nfs/dbraw/zinc/20/27/02/458202702.db2.gz MNQQUKRBRTXKCO-CQSZACIVSA-N 2 1 327.925 3.002 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C(C)C)[C@H](C)c2ccccc2)CC1 ZINC000428862744 458224904 /nfs/dbraw/zinc/22/49/04/458224904.db2.gz OPBFXSLOZHDITB-QGZVFWFLSA-N 2 1 331.504 3.059 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(F)cc(Cl)c2)C[C@H](C)O1 ZINC000362504594 458226452 /nfs/dbraw/zinc/22/64/52/458226452.db2.gz JGQBCHYMIYLICA-OKILXGFUSA-N 2 1 328.859 3.458 20 0 EGADMP CCc1nc(C)c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000428982656 458245658 /nfs/dbraw/zinc/24/56/58/458245658.db2.gz UCQZWHVWQJPBJV-RTBURBONSA-N 2 1 339.483 3.499 20 0 EGADMP CCc1nc(C)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000428982656 458245661 /nfs/dbraw/zinc/24/56/61/458245661.db2.gz UCQZWHVWQJPBJV-RTBURBONSA-N 2 1 339.483 3.499 20 0 EGADMP CCc1nc(C)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000428982656 458245667 /nfs/dbraw/zinc/24/56/67/458245667.db2.gz UCQZWHVWQJPBJV-RTBURBONSA-N 2 1 339.483 3.499 20 0 EGADMP CCc1nc(C)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000428982656 458245672 /nfs/dbraw/zinc/24/56/72/458245672.db2.gz UCQZWHVWQJPBJV-RTBURBONSA-N 2 1 339.483 3.499 20 0 EGADMP CCCc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000376326483 458267605 /nfs/dbraw/zinc/26/76/05/458267605.db2.gz ZLWIQVQETKWNOJ-NQIIRXRSSA-N 2 1 329.532 3.097 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000429104578 458272165 /nfs/dbraw/zinc/27/21/65/458272165.db2.gz GLACJAOCPNTDHP-HXUWFJFHSA-N 2 1 339.483 3.348 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CCC2 ZINC000447518911 458302766 /nfs/dbraw/zinc/30/27/66/458302766.db2.gz PCGKDYRLQQVDBA-CQSZACIVSA-N 2 1 336.476 3.320 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000373027696 458379545 /nfs/dbraw/zinc/37/95/45/458379545.db2.gz WBJIRWTWFXENKV-ARFHVFGLSA-N 2 1 346.471 3.359 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000373027696 458379548 /nfs/dbraw/zinc/37/95/48/458379548.db2.gz WBJIRWTWFXENKV-ARFHVFGLSA-N 2 1 346.471 3.359 20 0 EGADMP C[NH+](C)C1(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000437105823 458427586 /nfs/dbraw/zinc/42/75/86/458427586.db2.gz FGDNAVVRQAFSPP-QHAWAJNXSA-N 2 1 341.543 3.361 20 0 EGADMP CN(C)C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000437105823 458427588 /nfs/dbraw/zinc/42/75/88/458427588.db2.gz FGDNAVVRQAFSPP-QHAWAJNXSA-N 2 1 341.543 3.361 20 0 EGADMP CN(C)C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000437105823 458427593 /nfs/dbraw/zinc/42/75/93/458427593.db2.gz FGDNAVVRQAFSPP-QHAWAJNXSA-N 2 1 341.543 3.361 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC[C@H](C)c3ccccc3)C2)CC1 ZINC000373207021 458429915 /nfs/dbraw/zinc/42/99/15/458429915.db2.gz CATXFAQCSSTVOP-FPOVZHCZSA-N 2 1 329.532 3.281 20 0 EGADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423477376 458438461 /nfs/dbraw/zinc/43/84/61/458438461.db2.gz TXDOPNHMPUESDY-RDJZCZTQSA-N 2 1 338.455 3.301 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CNCCN1C)c1ccc(Oc2ccccc2)cc1 ZINC000423485125 458441267 /nfs/dbraw/zinc/44/12/67/458441267.db2.gz VEAUNCOPSZISAU-AEFFLSMTSA-N 2 1 325.456 3.033 20 0 EGADMP Clc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CC2)cc1Cl ZINC000423492309 458442615 /nfs/dbraw/zinc/44/26/15/458442615.db2.gz MNBMIJRHTKWPJM-CZUORRHYSA-N 2 1 329.271 3.413 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423531929 458453668 /nfs/dbraw/zinc/45/36/68/458453668.db2.gz QPBKXWCFOFXUPA-AGOPTVSRSA-N 2 1 335.495 3.167 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000430547642 458459931 /nfs/dbraw/zinc/45/99/31/458459931.db2.gz FTWSNYPNQHFBTQ-OAHLLOKOSA-N 2 1 336.867 3.238 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000430557772 458461262 /nfs/dbraw/zinc/46/12/62/458461262.db2.gz XBQKGFLVZZEGKO-QWHCGFSZSA-N 2 1 332.366 3.023 20 0 EGADMP COc1sc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC000459733161 458462487 /nfs/dbraw/zinc/46/24/87/458462487.db2.gz NEMNPFWSVUCBNN-NSHDSACASA-N 2 1 347.322 3.341 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459744820 458465556 /nfs/dbraw/zinc/46/55/56/458465556.db2.gz XXVMLXZJMIDLQZ-FQEVSTJZSA-N 2 1 340.515 3.370 20 0 EGADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](CC)CC ZINC000430663167 458476533 /nfs/dbraw/zinc/47/65/33/458476533.db2.gz FMYKVZDEXWCVGV-YSIASYRMSA-N 2 1 345.531 3.276 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000459780950 458477569 /nfs/dbraw/zinc/47/75/69/458477569.db2.gz MAQZTJQINMNTLI-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000459780950 458477573 /nfs/dbraw/zinc/47/75/73/458477573.db2.gz MAQZTJQINMNTLI-HMXCVIKNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000459780950 458477577 /nfs/dbraw/zinc/47/75/77/458477577.db2.gz MAQZTJQINMNTLI-HMXCVIKNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459780950 458477579 /nfs/dbraw/zinc/47/75/79/458477579.db2.gz MAQZTJQINMNTLI-HMXCVIKNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459780950 458477580 /nfs/dbraw/zinc/47/75/80/458477580.db2.gz MAQZTJQINMNTLI-HMXCVIKNSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H](C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)[C@H]([NH3+])c1ccccc1 ZINC000423736772 458477641 /nfs/dbraw/zinc/47/76/41/458477641.db2.gz YYKXSSTXVQKRQC-VYMYIBDJSA-N 2 1 343.515 3.186 20 0 EGADMP CCCN(C(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1)C1CC[NH2+]CC1 ZINC000430848122 458498037 /nfs/dbraw/zinc/49/80/37/458498037.db2.gz BKBMFFIIQDOHRD-UHFFFAOYSA-N 2 1 343.515 3.275 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000437878889 458506388 /nfs/dbraw/zinc/50/63/88/458506388.db2.gz RGNYTRQTSVMUCW-UXHICEINSA-N 2 1 347.547 3.307 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000437878889 458506393 /nfs/dbraw/zinc/50/63/93/458506393.db2.gz RGNYTRQTSVMUCW-UXHICEINSA-N 2 1 347.547 3.307 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000437878889 458506398 /nfs/dbraw/zinc/50/63/98/458506398.db2.gz RGNYTRQTSVMUCW-UXHICEINSA-N 2 1 347.547 3.307 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000377833672 458544830 /nfs/dbraw/zinc/54/48/30/458544830.db2.gz FNSPLBKXHJYHDA-SESVDKBCSA-N 2 1 344.499 3.161 20 0 EGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000377833672 458544836 /nfs/dbraw/zinc/54/48/36/458544836.db2.gz FNSPLBKXHJYHDA-SESVDKBCSA-N 2 1 344.499 3.161 20 0 EGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000377833672 458544843 /nfs/dbraw/zinc/54/48/43/458544843.db2.gz FNSPLBKXHJYHDA-SESVDKBCSA-N 2 1 344.499 3.161 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1)C(C)C ZINC000424063939 458549346 /nfs/dbraw/zinc/54/93/46/458549346.db2.gz DJJKRUDVYVXVQH-ZWOKBUDYSA-N 2 1 345.531 3.362 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424129086 458565927 /nfs/dbraw/zinc/56/59/27/458565927.db2.gz GABBCAVLLXSJLL-YJBOKZPZSA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424139860 458568204 /nfs/dbraw/zinc/56/82/04/458568204.db2.gz FPCQUOORZKBJKT-OALUTQOASA-N 2 1 337.552 3.158 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CC[C@H]([NH3+])CC3CCCCC3)CC[C@@H]21 ZINC000424171851 458576463 /nfs/dbraw/zinc/57/64/63/458576463.db2.gz LKLIKJSRMOUCGH-QYZOEREBSA-N 2 1 335.536 3.007 20 0 EGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431746268 458616841 /nfs/dbraw/zinc/61/68/41/458616841.db2.gz TXVODQNFSZOLPN-DMUMMCEESA-N 2 1 345.531 3.162 20 0 EGADMP CCCOc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OC ZINC000424383809 458629682 /nfs/dbraw/zinc/62/96/82/458629682.db2.gz UOCJCSUTFCNCMZ-MRXNPFEDSA-N 2 1 332.488 3.448 20 0 EGADMP COc1ccc(C[C@@H](C)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1F ZINC000424388056 458631150 /nfs/dbraw/zinc/63/11/50/458631150.db2.gz ZBUQSIJKZHMIGS-HZPDHXFCSA-N 2 1 334.479 3.477 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000424417537 458638155 /nfs/dbraw/zinc/63/81/55/458638155.db2.gz AJCWXKLRDJMSSE-MRXNPFEDSA-N 2 1 340.471 3.096 20 0 EGADMP CO[C@](C)(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000462816061 458657184 /nfs/dbraw/zinc/65/71/84/458657184.db2.gz FPKHRBAIICRYGI-OYNPSCLESA-N 2 1 328.500 3.302 20 0 EGADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000530025199 458658214 /nfs/dbraw/zinc/65/82/14/458658214.db2.gz PLMCSCDYAJHMQF-FQEVSTJZSA-N 2 1 341.499 3.029 20 0 EGADMP CCN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000494635237 458715061 /nfs/dbraw/zinc/71/50/61/458715061.db2.gz FVFQCNZTWYIZNF-HOJAQTOUSA-N 2 1 343.515 3.203 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(C(F)(F)F)s2)CCCO1 ZINC000432359501 458722874 /nfs/dbraw/zinc/72/28/74/458722874.db2.gz QUTPRBCDBSOISE-GFCCVEGCSA-N 2 1 336.423 3.357 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C(F)(F)F)s2)CCCO1 ZINC000432359501 458722882 /nfs/dbraw/zinc/72/28/82/458722882.db2.gz QUTPRBCDBSOISE-GFCCVEGCSA-N 2 1 336.423 3.357 20 0 EGADMP C[C@@H]1C[N@H+](C/C=C/c2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000530336490 458749667 /nfs/dbraw/zinc/74/96/67/458749667.db2.gz RSTCQIMSEMECOG-MMHSPLKYSA-N 2 1 347.934 3.311 20 0 EGADMP C[C@@H]1C[N@@H+](C/C=C/c2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000530336490 458749675 /nfs/dbraw/zinc/74/96/75/458749675.db2.gz RSTCQIMSEMECOG-MMHSPLKYSA-N 2 1 347.934 3.311 20 0 EGADMP CCCC1(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000471932368 458752335 /nfs/dbraw/zinc/75/23/35/458752335.db2.gz WSFXLWFPHQZSEA-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1ccc2[nH]c(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cc2c1C ZINC000473149039 458821770 /nfs/dbraw/zinc/82/17/70/458821770.db2.gz ISYQAWOEHBHIHI-DUXKGJEZSA-N 2 1 341.499 3.468 20 0 EGADMP Cc1ccc2[nH]c(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cc2c1C ZINC000473149039 458821778 /nfs/dbraw/zinc/82/17/78/458821778.db2.gz ISYQAWOEHBHIHI-DUXKGJEZSA-N 2 1 341.499 3.468 20 0 EGADMP COC(=O)CC1(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000440529832 458823119 /nfs/dbraw/zinc/82/31/19/458823119.db2.gz IHXQBPHDYSMTKA-YRWFTTLQSA-N 2 1 344.499 3.076 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000548064859 458831919 /nfs/dbraw/zinc/83/19/19/458831919.db2.gz JPSZQOMQPLUVFI-XLIONFOSSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCCCC1 ZINC000548064859 458831924 /nfs/dbraw/zinc/83/19/24/458831924.db2.gz JPSZQOMQPLUVFI-XLIONFOSSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CCCCC1 ZINC000548064859 458831933 /nfs/dbraw/zinc/83/19/33/458831933.db2.gz JPSZQOMQPLUVFI-XLIONFOSSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC[N@H+]1CCCC1(C)C ZINC000457048086 458847328 /nfs/dbraw/zinc/84/73/28/458847328.db2.gz DKDTYNTZFPPPHF-UHFFFAOYSA-N 2 1 343.471 3.099 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H]1C ZINC000474611619 458893429 /nfs/dbraw/zinc/89/34/29/458893429.db2.gz GJPOSTFVCZDBKV-WKULXVSPSA-N 2 1 338.536 3.310 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H]1C ZINC000474611619 458893434 /nfs/dbraw/zinc/89/34/34/458893434.db2.gz GJPOSTFVCZDBKV-WKULXVSPSA-N 2 1 338.536 3.310 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000474883151 458905485 /nfs/dbraw/zinc/90/54/85/458905485.db2.gz VKJFVPXYYPJZDS-KRWDZBQOSA-N 2 1 344.478 3.469 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000474883151 458905491 /nfs/dbraw/zinc/90/54/91/458905491.db2.gz VKJFVPXYYPJZDS-KRWDZBQOSA-N 2 1 344.478 3.469 20 0 EGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000531788246 458978175 /nfs/dbraw/zinc/97/81/75/458978175.db2.gz SZHRUCJVWDHCRG-UHFFFAOYSA-N 2 1 337.533 3.002 20 0 EGADMP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000495879552 458990408 /nfs/dbraw/zinc/99/04/08/458990408.db2.gz VRGOZRKGZCWANY-RDJZCZTQSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+](C)[C@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)C1CCCCC1 ZINC000531937363 459003569 /nfs/dbraw/zinc/00/35/69/459003569.db2.gz FNJUSJWOHZOLPT-HWOWSKLDSA-N 2 1 336.442 3.323 20 0 EGADMP C[C@](O)(C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000556870155 459025537 /nfs/dbraw/zinc/02/55/37/459025537.db2.gz DTVZKTBYCPHRAE-UVUJQTEASA-N 2 1 342.527 3.428 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000477142745 459033089 /nfs/dbraw/zinc/03/30/89/459033089.db2.gz VMNYPCKIKCITGI-MRXNPFEDSA-N 2 1 331.508 3.024 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000477142745 459033093 /nfs/dbraw/zinc/03/30/93/459033093.db2.gz VMNYPCKIKCITGI-MRXNPFEDSA-N 2 1 331.508 3.024 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000496064309 459052816 /nfs/dbraw/zinc/05/28/16/459052816.db2.gz JVSSUUDFZHOSRZ-ZACQAIPSSA-N 2 1 339.524 3.144 20 0 EGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000442959053 459065816 /nfs/dbraw/zinc/06/58/16/459065816.db2.gz XYNGHCMHCPOQDH-QZTJIDSGSA-N 2 1 326.444 3.108 20 0 EGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000442959053 459065818 /nfs/dbraw/zinc/06/58/18/459065818.db2.gz XYNGHCMHCPOQDH-QZTJIDSGSA-N 2 1 326.444 3.108 20 0 EGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000442997153 459072855 /nfs/dbraw/zinc/07/28/55/459072855.db2.gz ZEDNKEZZLNFVCE-QGZVFWFLSA-N 2 1 344.421 3.196 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443056814 459079526 /nfs/dbraw/zinc/07/95/26/459079526.db2.gz DEKWPYLKXKQUIY-JKSUJKDBSA-N 2 1 325.456 3.228 20 0 EGADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cs2)c1 ZINC000443065047 459082528 /nfs/dbraw/zinc/08/25/28/459082528.db2.gz ZHZDWPGIUJOUOV-AWEZNQCLSA-N 2 1 331.485 3.380 20 0 EGADMP Cc1sc2[nH]c([C@H](C)[N@@H+]3CCC[C@@H](CC[NH3+])C3)nc(=O)c2c1C ZINC000443068903 459083172 /nfs/dbraw/zinc/08/31/72/459083172.db2.gz IWOFUROCBZYAKM-AAEUAGOBSA-N 2 1 334.489 3.136 20 0 EGADMP Cc1sc2[nH]c([C@H](C)[N@H+]3CCC[C@@H](CC[NH3+])C3)nc(=O)c2c1C ZINC000443068903 459083177 /nfs/dbraw/zinc/08/31/77/459083177.db2.gz IWOFUROCBZYAKM-AAEUAGOBSA-N 2 1 334.489 3.136 20 0 EGADMP CCC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccsc1 ZINC000443096350 459087185 /nfs/dbraw/zinc/08/71/85/459087185.db2.gz RRRJBTUFPPGVPZ-KRWDZBQOSA-N 2 1 337.533 3.122 20 0 EGADMP CC[C@@H]1CCC[C@H]1CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000567406716 459101770 /nfs/dbraw/zinc/10/17/70/459101770.db2.gz PZQAYQBGSOUOCL-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000496261964 459128709 /nfs/dbraw/zinc/12/87/09/459128709.db2.gz HRNXXGYEOMHHHT-OAHLLOKOSA-N 2 1 327.513 3.144 20 0 EGADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000496261964 459128714 /nfs/dbraw/zinc/12/87/14/459128714.db2.gz HRNXXGYEOMHHHT-OAHLLOKOSA-N 2 1 327.513 3.144 20 0 EGADMP CCC[N@@H+](CCC1CC[NH2+]CC1)CC(=O)Nc1ccc(Cl)cc1 ZINC000479690676 459160176 /nfs/dbraw/zinc/16/01/76/459160176.db2.gz SYJXZIVYVUDEAG-UHFFFAOYSA-N 2 1 337.895 3.380 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccncc1C ZINC000578224159 459165828 /nfs/dbraw/zinc/16/58/28/459165828.db2.gz DZZFVCJBDVSDQU-NHCUHLMSSA-N 2 1 339.483 3.017 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccncc1C ZINC000578224159 459165832 /nfs/dbraw/zinc/16/58/32/459165832.db2.gz DZZFVCJBDVSDQU-NHCUHLMSSA-N 2 1 339.483 3.017 20 0 EGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000480725610 459214881 /nfs/dbraw/zinc/21/48/81/459214881.db2.gz YWQDGEBGDSYKOY-ZSYWTGECSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480725610 459214888 /nfs/dbraw/zinc/21/48/88/459214888.db2.gz YWQDGEBGDSYKOY-ZSYWTGECSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480725610 459214895 /nfs/dbraw/zinc/21/48/95/459214895.db2.gz YWQDGEBGDSYKOY-ZSYWTGECSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H](CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C[NH+]1CCCCC1 ZINC000480900555 459221991 /nfs/dbraw/zinc/22/19/91/459221991.db2.gz RDUXTHZOUTVHBQ-MOPGFXCFSA-N 2 1 347.547 3.400 20 0 EGADMP CCCN(CCC)C(=O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481183286 459237732 /nfs/dbraw/zinc/23/77/32/459237732.db2.gz AWJKGMVRRJWIGE-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCCN(CCC)C(=O)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000481183286 459237736 /nfs/dbraw/zinc/23/77/36/459237736.db2.gz AWJKGMVRRJWIGE-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCCN(CCC)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481183286 459237741 /nfs/dbraw/zinc/23/77/41/459237741.db2.gz AWJKGMVRRJWIGE-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP CCCN(CCC)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481183286 459237746 /nfs/dbraw/zinc/23/77/46/459237746.db2.gz AWJKGMVRRJWIGE-QUCCMNQESA-N 2 1 345.531 3.135 20 0 EGADMP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000522546418 459247882 /nfs/dbraw/zinc/24/78/82/459247882.db2.gz LONFGCKBZHLXCN-IEBWSBKVSA-N 2 1 347.547 3.298 20 0 EGADMP CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000559388390 459256378 /nfs/dbraw/zinc/25/63/78/459256378.db2.gz ZTBZPURXDRXESN-RBUKOAKNSA-N 2 1 338.923 3.342 20 0 EGADMP CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000559388390 459256383 /nfs/dbraw/zinc/25/63/83/459256383.db2.gz ZTBZPURXDRXESN-RBUKOAKNSA-N 2 1 338.923 3.342 20 0 EGADMP C[C@H]1C[C@@H](CC[NH2+]Cc2c[nH]c3nccnc23)C[N@H+]1Cc1ccccc1 ZINC000568337490 459268960 /nfs/dbraw/zinc/26/89/60/459268960.db2.gz MNRSXOJRZAVGFF-FUHWJXTLSA-N 2 1 349.482 3.300 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)CC1 ZINC000595311526 459274969 /nfs/dbraw/zinc/27/49/69/459274969.db2.gz HOKAPPPHYRFDQZ-CEMLEFRQSA-N 2 1 341.543 3.282 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496677884 459283019 /nfs/dbraw/zinc/28/30/19/459283019.db2.gz NPTPNVXOEHTHIT-BBWFWOEESA-N 2 1 341.540 3.390 20 0 EGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CC=C(C)CC2)c1 ZINC000559894636 459283710 /nfs/dbraw/zinc/28/37/10/459283710.db2.gz MBBOKBADVIXKTO-IBGZPJMESA-N 2 1 332.488 3.232 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2ccccc21 ZINC000482135940 459292161 /nfs/dbraw/zinc/29/21/61/459292161.db2.gz PCHNJGLVHOXYDV-RTBURBONSA-N 2 1 343.515 3.066 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000482147218 459292740 /nfs/dbraw/zinc/29/27/40/459292740.db2.gz WQUSWYVYUMMLNC-QRFRQXIXSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496755049 459311493 /nfs/dbraw/zinc/31/14/93/459311493.db2.gz QJJXPVHOTABGEM-NCOADZHNSA-N 2 1 339.524 3.237 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496755049 459311498 /nfs/dbraw/zinc/31/14/98/459311498.db2.gz QJJXPVHOTABGEM-NCOADZHNSA-N 2 1 339.524 3.237 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC000496771336 459317409 /nfs/dbraw/zinc/31/74/09/459317409.db2.gz JTHICFIUMVDQEF-CVEARBPZSA-N 2 1 327.513 3.048 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC000496771336 459317417 /nfs/dbraw/zinc/31/74/17/459317417.db2.gz JTHICFIUMVDQEF-CVEARBPZSA-N 2 1 327.513 3.048 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC000496771336 459317420 /nfs/dbraw/zinc/31/74/20/459317420.db2.gz JTHICFIUMVDQEF-CVEARBPZSA-N 2 1 327.513 3.048 20 0 EGADMP C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[NH+]1CC(C)C1 ZINC000568650392 459322779 /nfs/dbraw/zinc/32/27/79/459322779.db2.gz OXEYIQSPQYCWKX-NVXWUHKLSA-N 2 1 329.488 3.197 20 0 EGADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[NH+]1CC(C)C1 ZINC000568650392 459322784 /nfs/dbraw/zinc/32/27/84/459322784.db2.gz OXEYIQSPQYCWKX-NVXWUHKLSA-N 2 1 329.488 3.197 20 0 EGADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000496957068 459384955 /nfs/dbraw/zinc/38/49/55/459384955.db2.gz PYLIFZWILXSOJM-VQHPVUNQSA-N 2 1 339.524 3.142 20 0 EGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000582653555 459402827 /nfs/dbraw/zinc/40/28/27/459402827.db2.gz XISZCRHAZNXCMH-SWLSCSKDSA-N 2 1 345.409 3.386 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000497126581 459450518 /nfs/dbraw/zinc/45/05/18/459450518.db2.gz GOAYNWVNNOAGBJ-BRWVUGGUSA-N 2 1 339.524 3.238 20 0 EGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000497132573 459453421 /nfs/dbraw/zinc/45/34/21/459453421.db2.gz POEFAQHGYRQMMC-HNNXBMFYSA-N 2 1 339.524 3.096 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000497132573 459453428 /nfs/dbraw/zinc/45/34/28/459453428.db2.gz POEFAQHGYRQMMC-HNNXBMFYSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000497198676 459482534 /nfs/dbraw/zinc/48/25/34/459482534.db2.gz YHBQGCNAVYUPEW-VQHPVUNQSA-N 2 1 339.524 3.142 20 0 EGADMP CC(C)c1ccc(CC[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000561976724 459498311 /nfs/dbraw/zinc/49/83/11/459498311.db2.gz QPDFKWMKHKUFKN-UHFFFAOYSA-N 2 1 331.548 3.310 20 0 EGADMP CCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000562010101 459502750 /nfs/dbraw/zinc/50/27/50/459502750.db2.gz FLOREQCFNYWOBH-IBGZPJMESA-N 2 1 332.488 3.343 20 0 EGADMP CCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000562010101 459502756 /nfs/dbraw/zinc/50/27/56/459502756.db2.gz FLOREQCFNYWOBH-IBGZPJMESA-N 2 1 332.488 3.343 20 0 EGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@@H]3C[C@@H]3C)CC2)c1C ZINC000583408530 459533097 /nfs/dbraw/zinc/53/30/97/459533097.db2.gz BBPABBSDRMLKIC-YOEHRIQHSA-N 2 1 331.504 3.259 20 0 EGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@@H]3C[C@@H]3C)CC2)c1C ZINC000583408530 459533102 /nfs/dbraw/zinc/53/31/02/459533102.db2.gz BBPABBSDRMLKIC-YOEHRIQHSA-N 2 1 331.504 3.259 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C/C=C\c3ccc(Cl)cc3)C2)CC1 ZINC000526055931 459541024 /nfs/dbraw/zinc/54/10/24/459541024.db2.gz MSKLDCHWAYBDSO-XQQSMPNESA-N 2 1 347.934 3.454 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000583692568 459581584 /nfs/dbraw/zinc/58/15/84/459581584.db2.gz NTKFCPRFTKUKMT-OAHLLOKOSA-N 2 1 343.393 3.366 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000572992654 459608066 /nfs/dbraw/zinc/60/80/66/459608066.db2.gz XKQBNXHIOBISQE-INIZCTEOSA-N 2 1 344.421 3.028 20 0 EGADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C)s1 ZINC000592491624 459613706 /nfs/dbraw/zinc/61/37/06/459613706.db2.gz BIWJNFKFJFQHAU-HUUCEWRRSA-N 2 1 336.501 3.055 20 0 EGADMP COC(=O)CC[C@H](CC1CCCCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000592515936 459621535 /nfs/dbraw/zinc/62/15/35/459621535.db2.gz OMHLCXVIABBUIT-QYZOEREBSA-N 2 1 336.520 3.495 20 0 EGADMP CCc1nn(C)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499173325 459625602 /nfs/dbraw/zinc/62/56/02/459625602.db2.gz XLYUDIKBBPJMCB-ACDBMABISA-N 2 1 338.499 3.268 20 0 EGADMP CCc1nn(C)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499173325 459625609 /nfs/dbraw/zinc/62/56/09/459625609.db2.gz XLYUDIKBBPJMCB-ACDBMABISA-N 2 1 338.499 3.268 20 0 EGADMP CC[N@@H+](CCC(C)(C)C(=O)OC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000527511453 459651229 /nfs/dbraw/zinc/65/12/29/459651229.db2.gz QKVOSMVJZNMCTQ-IBGZPJMESA-N 2 1 346.515 3.420 20 0 EGADMP COc1ncc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000543459416 459660722 /nfs/dbraw/zinc/66/07/22/459660722.db2.gz SRNLVVRILRJEDB-UKRRQHHQSA-N 2 1 337.895 3.486 20 0 EGADMP COc1ncc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000543459416 459660725 /nfs/dbraw/zinc/66/07/25/459660725.db2.gz SRNLVVRILRJEDB-UKRRQHHQSA-N 2 1 337.895 3.486 20 0 EGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000584222390 459684290 /nfs/dbraw/zinc/68/42/90/459684290.db2.gz BJAYJFRYLXFSBH-ICSRJNTNSA-N 2 1 343.515 3.012 20 0 EGADMP c1ccc2c(c1)CC(C[NH2+]CC1([NH+]3CCCCC3)CCOCC1)C2 ZINC000584323326 459708682 /nfs/dbraw/zinc/70/86/82/459708682.db2.gz JQTVFOLGBNJBJG-UHFFFAOYSA-N 2 1 328.500 3.026 20 0 EGADMP c1ccc(C[N@H+]2CCCO[C@H](CSCC3CC[NH2+]CC3)C2)cc1 ZINC000563080197 459712039 /nfs/dbraw/zinc/71/20/39/459712039.db2.gz KCSUMPDCVALMLK-IBGZPJMESA-N 2 1 334.529 3.010 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000574168972 459787698 /nfs/dbraw/zinc/78/76/98/459787698.db2.gz TWAWQOGYTIORNV-UHFFFAOYSA-N 2 1 334.261 3.394 20 0 EGADMP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574565348 459834643 /nfs/dbraw/zinc/83/46/43/459834643.db2.gz QQJFIFOAUUDTNQ-YOUFYPILSA-N 2 1 332.532 3.499 20 0 EGADMP CC(C)c1ccc(C[C@H]2CC[N@@H+](C[C@H](O)CN(C)C3CC3)C2)cc1 ZINC000574725723 459860949 /nfs/dbraw/zinc/86/09/49/459860949.db2.gz PJSIQWKVYZMTLY-WIYYLYMNSA-N 2 1 330.516 3.130 20 0 EGADMP CC(C)c1ccc(C[C@H]2CC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000574725723 459860958 /nfs/dbraw/zinc/86/09/58/459860958.db2.gz PJSIQWKVYZMTLY-WIYYLYMNSA-N 2 1 330.516 3.130 20 0 EGADMP CC(C)c1ccc(C[C@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000574725723 459860964 /nfs/dbraw/zinc/86/09/64/459860964.db2.gz PJSIQWKVYZMTLY-WIYYLYMNSA-N 2 1 330.516 3.130 20 0 EGADMP CC(C)c1ccc(C[C@H]2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000574725723 459860969 /nfs/dbraw/zinc/86/09/69/459860969.db2.gz PJSIQWKVYZMTLY-WIYYLYMNSA-N 2 1 330.516 3.130 20 0 EGADMP CC(C)c1ccc(C[C@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000574725723 459860972 /nfs/dbraw/zinc/86/09/72/459860972.db2.gz PJSIQWKVYZMTLY-WIYYLYMNSA-N 2 1 330.516 3.130 20 0 EGADMP C[NH+](C)CCC1CC[NH+](Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000586767679 459867890 /nfs/dbraw/zinc/86/78/90/459867890.db2.gz SNXXJPOPNDKAQT-UHFFFAOYSA-N 2 1 330.451 3.175 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000575052604 459917515 /nfs/dbraw/zinc/91/75/15/459917515.db2.gz CPGFOBREMNPNTR-RHSMWYFYSA-N 2 1 344.421 3.464 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000588686617 459966643 /nfs/dbraw/zinc/96/66/43/459966643.db2.gz HRAWRAPHPPDQLQ-PKOBYXMFSA-N 2 1 330.497 3.282 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000588686617 459966646 /nfs/dbraw/zinc/96/66/46/459966646.db2.gz HRAWRAPHPPDQLQ-PKOBYXMFSA-N 2 1 330.497 3.282 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)o1 ZINC000618385444 459992017 /nfs/dbraw/zinc/99/20/17/459992017.db2.gz RYGNXOXJONZMLU-HZPDHXFCSA-N 2 1 335.492 3.114 20 0 EGADMP COC(=O)c1csc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000602595842 460016411 /nfs/dbraw/zinc/01/64/11/460016411.db2.gz DOQLVLAXGXPXFD-UONOGXRCSA-N 2 1 336.501 3.277 20 0 EGADMP COC(=O)c1csc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000602595842 460016419 /nfs/dbraw/zinc/01/64/19/460016419.db2.gz DOQLVLAXGXPXFD-UONOGXRCSA-N 2 1 336.501 3.277 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000589205741 460055427 /nfs/dbraw/zinc/05/54/27/460055427.db2.gz HUZNPUGJMJLCQH-YJBOKZPZSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000589205741 460055431 /nfs/dbraw/zinc/05/54/31/460055431.db2.gz HUZNPUGJMJLCQH-YJBOKZPZSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000589205741 460055433 /nfs/dbraw/zinc/05/54/33/460055433.db2.gz HUZNPUGJMJLCQH-YJBOKZPZSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000589205741 460055437 /nfs/dbraw/zinc/05/54/37/460055437.db2.gz HUZNPUGJMJLCQH-YJBOKZPZSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000576033496 460055822 /nfs/dbraw/zinc/05/58/22/460055822.db2.gz LGHRPLUEQKYRBM-VLIAUNLRSA-N 2 1 346.421 3.349 20 0 EGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000576033496 460055828 /nfs/dbraw/zinc/05/58/28/460055828.db2.gz LGHRPLUEQKYRBM-VLIAUNLRSA-N 2 1 346.421 3.349 20 0 EGADMP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)c2cccs2)CC1 ZINC000599291618 460218938 /nfs/dbraw/zinc/21/89/38/460218938.db2.gz NGWUIOJUFJKAKQ-DLBZAZTESA-N 2 1 349.544 3.122 20 0 EGADMP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)c2cccs2)CC1 ZINC000599291618 460218943 /nfs/dbraw/zinc/21/89/43/460218943.db2.gz NGWUIOJUFJKAKQ-DLBZAZTESA-N 2 1 349.544 3.122 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3cc(C)c(OC)cc3C)C2)CC1 ZINC000614962719 460253906 /nfs/dbraw/zinc/25/39/06/460253906.db2.gz FAYMOHYZCGJLTF-RTBURBONSA-N 2 1 345.531 3.085 20 0 EGADMP CCC(CC)NC(=O)[C@@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062319 460358648 /nfs/dbraw/zinc/35/86/48/460358648.db2.gz OQQYCSFRWAEHNA-MRXNPFEDSA-N 2 1 333.520 3.263 20 0 EGADMP FC(F)(F)c1cccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000628351205 460377024 /nfs/dbraw/zinc/37/70/24/460377024.db2.gz YWJLKFGMVODTMD-QGZVFWFLSA-N 2 1 342.405 3.091 20 0 EGADMP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000623086339 460406697 /nfs/dbraw/zinc/40/66/97/460406697.db2.gz LECFGTMUSIZMNI-OAHLLOKOSA-N 2 1 332.467 3.374 20 0 EGADMP CCOc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc(Cl)c1O ZINC000628425429 460411722 /nfs/dbraw/zinc/41/17/22/460411722.db2.gz KNATWWPHANABOS-ZDUSSCGKSA-N 2 1 326.868 3.266 20 0 EGADMP CCOc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc(Cl)c1O ZINC000628425429 460411729 /nfs/dbraw/zinc/41/17/29/460411729.db2.gz KNATWWPHANABOS-ZDUSSCGKSA-N 2 1 326.868 3.266 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(OC)ccc32)[C@@H](C)C1 ZINC000631579932 460455422 /nfs/dbraw/zinc/45/54/22/460455422.db2.gz CRNMNESNZWNUIM-ORYQWCPZSA-N 2 1 346.515 3.409 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)cc1 ZINC000631719416 460531696 /nfs/dbraw/zinc/53/16/96/460531696.db2.gz MVYMROYKTQHZOT-ZIBATOQPSA-N 2 1 327.350 3.143 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccsc1C(F)(F)F ZINC000623412684 460534440 /nfs/dbraw/zinc/53/44/40/460534440.db2.gz XAFVNJIPSLHELM-CYBMUJFWSA-N 2 1 336.423 3.093 20 0 EGADMP CC[NH+](CC)Cc1cccc(CNC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC000635355653 460753609 /nfs/dbraw/zinc/75/36/09/460753609.db2.gz HDIVGOWIVAXDAG-UHFFFAOYSA-N 2 1 342.487 3.165 20 0 EGADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000635356614 460753798 /nfs/dbraw/zinc/75/37/98/460753798.db2.gz ZJAPREMPEULLNJ-FQEVSTJZSA-N 2 1 343.515 3.162 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000635407980 460772851 /nfs/dbraw/zinc/77/28/51/460772851.db2.gz FFSNKNPSKKQTTB-UHFFFAOYSA-N 2 1 346.519 3.121 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000635407980 460772856 /nfs/dbraw/zinc/77/28/56/460772856.db2.gz FFSNKNPSKKQTTB-UHFFFAOYSA-N 2 1 346.519 3.121 20 0 EGADMP Cc1cn2ccc(C(=O)N3CCC[C@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)cc2n1 ZINC000635451475 460791794 /nfs/dbraw/zinc/79/17/94/460791794.db2.gz RZNNCZMMECUDSH-JZXOWHBKSA-N 2 1 340.471 3.120 20 0 EGADMP Cc1cn2ccc(C(=O)N3CCC[C@@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)cc2n1 ZINC000635451477 460791867 /nfs/dbraw/zinc/79/18/67/460791867.db2.gz RZNNCZMMECUDSH-SOLBZPMBSA-N 2 1 340.471 3.120 20 0 EGADMP CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000629543814 460802593 /nfs/dbraw/zinc/80/25/93/460802593.db2.gz FHCBKWQSASGYMO-BMFZPTHFSA-N 2 1 325.859 3.178 20 0 EGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635482066 460803285 /nfs/dbraw/zinc/80/32/85/460803285.db2.gz FWFVTJIAVJBOSP-HXUWFJFHSA-N 2 1 343.515 3.114 20 0 EGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1cn([C@H]3CC[NH2+]C3)nn1)CCC2 ZINC000629553146 460805653 /nfs/dbraw/zinc/80/56/53/460805653.db2.gz UWYMJGLBGGDHDV-AZUAARDMSA-N 2 1 339.487 3.103 20 0 EGADMP Clc1ccc2c(c1)[C@H]([NH2+]Cc1cn([C@H]3CC[NH2+]C3)nn1)CCCC2 ZINC000629552531 460805912 /nfs/dbraw/zinc/80/59/12/460805912.db2.gz LQWUVBJHDLIMAC-FUHWJXTLSA-N 2 1 345.878 3.023 20 0 EGADMP OC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC(c2ccccc2)CC1 ZINC000629557827 460807870 /nfs/dbraw/zinc/80/78/70/460807870.db2.gz YSHIWCBLEDNEEC-RKDVLTNBSA-N 2 1 328.500 3.292 20 0 EGADMP COc1cccc(SCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629561966 460809399 /nfs/dbraw/zinc/80/93/99/460809399.db2.gz KSMHJHNIXGIAMK-IUODEOHRSA-N 2 1 348.434 3.246 20 0 EGADMP COc1cccc(SCC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629561966 460809406 /nfs/dbraw/zinc/80/94/06/460809406.db2.gz KSMHJHNIXGIAMK-IUODEOHRSA-N 2 1 348.434 3.246 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(F)c3cccnc23)CC[C@H]1C(F)(F)F ZINC000629563096 460811069 /nfs/dbraw/zinc/81/10/69/460811069.db2.gz PUQLKAOMQISEGS-TZMCWYRMSA-N 2 1 341.352 3.333 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)c3cccnc23)CC[C@H]1C(F)(F)F ZINC000629563096 460811076 /nfs/dbraw/zinc/81/10/76/460811076.db2.gz PUQLKAOMQISEGS-TZMCWYRMSA-N 2 1 341.352 3.333 20 0 EGADMP C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000607358150 460829317 /nfs/dbraw/zinc/82/93/17/460829317.db2.gz GNOPMOFBKAAZQW-CQSZACIVSA-N 2 1 330.394 3.358 20 0 EGADMP C[NH+](CCOc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000607358150 460829319 /nfs/dbraw/zinc/82/93/19/460829319.db2.gz GNOPMOFBKAAZQW-CQSZACIVSA-N 2 1 330.394 3.358 20 0 EGADMP C[NH+](CCOc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000607358150 460829323 /nfs/dbraw/zinc/82/93/23/460829323.db2.gz GNOPMOFBKAAZQW-CQSZACIVSA-N 2 1 330.394 3.358 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000635566747 460834749 /nfs/dbraw/zinc/83/47/49/460834749.db2.gz YLSRZTBMOCNNTH-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000635566747 460834755 /nfs/dbraw/zinc/83/47/55/460834755.db2.gz YLSRZTBMOCNNTH-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CCCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629654295 460848766 /nfs/dbraw/zinc/84/87/66/460848766.db2.gz HEXLPOJENJBZHK-ZBFHGGJFSA-N 2 1 330.394 3.435 20 0 EGADMP CCCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629654295 460848772 /nfs/dbraw/zinc/84/87/72/460848772.db2.gz HEXLPOJENJBZHK-ZBFHGGJFSA-N 2 1 330.394 3.435 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000624121559 460870390 /nfs/dbraw/zinc/87/03/90/460870390.db2.gz YBLGAUAHTXZHSH-MSOLQXFVSA-N 3 1 333.520 3.010 20 0 EGADMP C[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000624121559 460870391 /nfs/dbraw/zinc/87/03/91/460870391.db2.gz YBLGAUAHTXZHSH-MSOLQXFVSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000624121559 460870394 /nfs/dbraw/zinc/87/03/94/460870394.db2.gz YBLGAUAHTXZHSH-MSOLQXFVSA-N 2 1 333.520 3.010 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC000624225190 460919387 /nfs/dbraw/zinc/91/93/87/460919387.db2.gz MVUAPDCDURTEEO-HNNXBMFYSA-N 2 1 325.859 3.132 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)CC[N@@H+]1C ZINC000624226702 460921014 /nfs/dbraw/zinc/92/10/14/460921014.db2.gz XCJCSHQZKUGVKJ-SNPRPXQTSA-N 2 1 325.859 3.130 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)CC[N@H+]1C ZINC000624226702 460921017 /nfs/dbraw/zinc/92/10/17/460921017.db2.gz XCJCSHQZKUGVKJ-SNPRPXQTSA-N 2 1 325.859 3.130 20 0 EGADMP CC1CC[NH+](Cc2ccc(NC(=O)C[N@@H+](C)C3CCC3)cc2)CC1 ZINC000629949623 460970396 /nfs/dbraw/zinc/97/03/96/460970396.db2.gz VZPWBZKJGCYCQN-UHFFFAOYSA-N 2 1 329.488 3.341 20 0 EGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCC2CCCC2)CC1 ZINC000608117172 460990074 /nfs/dbraw/zinc/99/00/74/460990074.db2.gz ITXNVEXAQOMXKA-UHFFFAOYSA-N 2 1 330.476 3.132 20 0 EGADMP CCOc1cncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000621339675 460996994 /nfs/dbraw/zinc/99/69/94/460996994.db2.gz HSJCMGGYMKNWFU-UTKZUKDTSA-N 2 1 339.483 3.481 20 0 EGADMP CCOc1cncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000621339675 460996997 /nfs/dbraw/zinc/99/69/97/460996997.db2.gz HSJCMGGYMKNWFU-UTKZUKDTSA-N 2 1 339.483 3.481 20 0 EGADMP CCOc1cncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000621339676 460997009 /nfs/dbraw/zinc/99/70/09/460997009.db2.gz HSJCMGGYMKNWFU-UWJYYQICSA-N 2 1 339.483 3.481 20 0 EGADMP CCOc1cncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000621339676 460997010 /nfs/dbraw/zinc/99/70/10/460997010.db2.gz HSJCMGGYMKNWFU-UWJYYQICSA-N 2 1 339.483 3.481 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000621350367 461002019 /nfs/dbraw/zinc/00/20/19/461002019.db2.gz GRTDAZHRMKLBQX-GOSISDBHSA-N 2 1 325.456 3.092 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000621350367 461002026 /nfs/dbraw/zinc/00/20/26/461002026.db2.gz GRTDAZHRMKLBQX-GOSISDBHSA-N 2 1 325.456 3.092 20 0 EGADMP CC(C)n1cc(C2=CCC[N@H+]([C@@H]3CC[NH+](C)C(C)(C)C3)CC2)nn1 ZINC000628298777 461080174 /nfs/dbraw/zinc/08/01/74/461080174.db2.gz QZFWOBKWIXFBCS-QGZVFWFLSA-N 2 1 331.508 3.211 20 0 EGADMP CC(C)n1cc(C2=CCC[NH+]([C@@H]3CC[N@H+](C)C(C)(C)C3)CC2)nn1 ZINC000628298777 461080178 /nfs/dbraw/zinc/08/01/78/461080178.db2.gz QZFWOBKWIXFBCS-QGZVFWFLSA-N 2 1 331.508 3.211 20 0 EGADMP CC(C)n1cc(C2=CCC[NH+]([C@@H]3CC[N@@H+](C)C(C)(C)C3)CC2)nn1 ZINC000628298777 461080183 /nfs/dbraw/zinc/08/01/83/461080183.db2.gz QZFWOBKWIXFBCS-QGZVFWFLSA-N 2 1 331.508 3.211 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)C1 ZINC000652348771 461142762 /nfs/dbraw/zinc/14/27/62/461142762.db2.gz QVMSIGAAGRQFRG-KURKYZTESA-N 2 1 341.455 3.060 20 0 EGADMP Fc1ccc([C@@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662251448 461145858 /nfs/dbraw/zinc/14/58/58/461145858.db2.gz CYRVJRZKVAOFLO-FQEVSTJZSA-N 2 1 326.415 3.045 20 0 EGADMP Fc1ccc([C@@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662251448 461145868 /nfs/dbraw/zinc/14/58/68/461145868.db2.gz CYRVJRZKVAOFLO-FQEVSTJZSA-N 2 1 326.415 3.045 20 0 EGADMP Fc1cccc([C@@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)c1 ZINC000662258701 461147896 /nfs/dbraw/zinc/14/78/96/461147896.db2.gz WWRULSHCJMERMV-FQEVSTJZSA-N 2 1 326.415 3.045 20 0 EGADMP Fc1cccc([C@@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)c1 ZINC000662258701 461147905 /nfs/dbraw/zinc/14/79/05/461147905.db2.gz WWRULSHCJMERMV-FQEVSTJZSA-N 2 1 326.415 3.045 20 0 EGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668166227 461152305 /nfs/dbraw/zinc/15/23/05/461152305.db2.gz UTMUTGOTQIERKW-FQEVSTJZSA-N 2 1 332.488 3.162 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668166227 461152314 /nfs/dbraw/zinc/15/23/14/461152314.db2.gz UTMUTGOTQIERKW-FQEVSTJZSA-N 2 1 332.488 3.162 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2csc(-c3ccoc3)n2)C1 ZINC000652362748 461154338 /nfs/dbraw/zinc/15/43/38/461154338.db2.gz OCSJUWRBTFXXAB-DJIMGWMZSA-N 2 1 347.484 3.264 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2csc(-c3ccoc3)n2)C1 ZINC000652362748 461154342 /nfs/dbraw/zinc/15/43/42/461154342.db2.gz OCSJUWRBTFXXAB-DJIMGWMZSA-N 2 1 347.484 3.264 20 0 EGADMP COc1ccc(Cl)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652363443 461157631 /nfs/dbraw/zinc/15/76/31/461157631.db2.gz DZGDMRKWAYZWIW-OLMNPRSZSA-N 2 1 338.879 3.209 20 0 EGADMP CCO[C@H](C)c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000662291543 461169076 /nfs/dbraw/zinc/16/90/76/461169076.db2.gz HYYKZLTUSCIQJL-GDBMZVCRSA-N 2 1 337.533 3.452 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(F)c1 ZINC000662294653 461172579 /nfs/dbraw/zinc/17/25/79/461172579.db2.gz DIJKBLQKZKPHQO-RDJZCZTQSA-N 2 1 347.478 3.173 20 0 EGADMP CCn1c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc2c1cccc2F ZINC000662295686 461175950 /nfs/dbraw/zinc/17/59/50/461175950.db2.gz WKEVCTNUNKEOAN-MRXNPFEDSA-N 2 1 344.478 3.407 20 0 EGADMP Brc1ccc2[nH]c3c(c2c1)C[N@H+](CC[C@@H]1CC[NH2+]C1)CC3 ZINC000662304318 461179894 /nfs/dbraw/zinc/17/98/94/461179894.db2.gz IHJCMVOEIBYXCX-LBPRGKRZSA-N 2 1 348.288 3.288 20 0 EGADMP Brc1ccc2[nH]c3c(c2c1)C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC3 ZINC000662304318 461179898 /nfs/dbraw/zinc/17/98/98/461179898.db2.gz IHJCMVOEIBYXCX-LBPRGKRZSA-N 2 1 348.288 3.288 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c(Cl)c1 ZINC000662313474 461185540 /nfs/dbraw/zinc/18/55/40/461185540.db2.gz RDGFZZCNRZEWEH-RHSMWYFYSA-N 2 1 337.895 3.426 20 0 EGADMP COc1cc(Cl)c(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OC ZINC000638029222 461206139 /nfs/dbraw/zinc/20/61/39/461206139.db2.gz NOWWILBJQXUIQP-UHFFFAOYSA-N 2 1 326.868 3.131 20 0 EGADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662382948 461223192 /nfs/dbraw/zinc/22/31/92/461223192.db2.gz FXTQJGQMHCPCCS-ABAIWWIYSA-N 2 1 346.302 3.100 20 0 EGADMP CC(C)O[C@@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@@H](OC(C)C)C2)C1 ZINC000649702671 461289363 /nfs/dbraw/zinc/28/93/63/461289363.db2.gz KRDANZDJQNBAJA-SBUVDCAVSA-N 2 1 338.536 3.321 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H](CO)CC(F)(F)F ZINC000641743703 461346163 /nfs/dbraw/zinc/34/61/63/461346163.db2.gz GORSMEJTCWVGSM-HNNXBMFYSA-N 2 1 332.410 3.048 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H](CO)CC(F)(F)F ZINC000641743703 461346168 /nfs/dbraw/zinc/34/61/68/461346168.db2.gz GORSMEJTCWVGSM-HNNXBMFYSA-N 2 1 332.410 3.048 20 0 EGADMP CC(C)c1cccc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000668617701 461356883 /nfs/dbraw/zinc/35/68/83/461356883.db2.gz LDZZHZKBGCEDPZ-FQEVSTJZSA-N 2 1 343.515 3.051 20 0 EGADMP CC(C)c1cccc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000668617701 461356890 /nfs/dbraw/zinc/35/68/90/461356890.db2.gz LDZZHZKBGCEDPZ-FQEVSTJZSA-N 2 1 343.515 3.051 20 0 EGADMP c1ccc2c(c1)cccc2OCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655702152 461374613 /nfs/dbraw/zinc/37/46/13/461374613.db2.gz YKWOAMSCJSNZTD-LJQANCHMSA-N 2 1 340.467 3.062 20 0 EGADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000655708963 461380221 /nfs/dbraw/zinc/38/02/21/461380221.db2.gz QRIFOZQABCJJMS-IBGZPJMESA-N 2 1 334.479 3.336 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000641805509 461381002 /nfs/dbraw/zinc/38/10/02/461381002.db2.gz NDHPEZGSEFQNDV-CKLFPEKLSA-N 2 1 330.259 3.036 20 0 EGADMP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1cccc2ccccc21 ZINC000641809992 461382443 /nfs/dbraw/zinc/38/24/43/461382443.db2.gz ZJZDSTJPKSMDHA-GTYSZEQSSA-N 2 1 339.483 3.121 20 0 EGADMP Fc1ccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCC2)cc1 ZINC000655713558 461382904 /nfs/dbraw/zinc/38/29/04/461382904.db2.gz QYVPDHIJBJZEAD-LJQANCHMSA-N 2 1 332.463 3.090 20 0 EGADMP Cc1[nH]c2c(cc(C)cc2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1C ZINC000655717225 461387362 /nfs/dbraw/zinc/38/73/62/461387362.db2.gz YGLWGJBIJYTPSA-LJQANCHMSA-N 2 1 341.499 3.436 20 0 EGADMP CCC(CC)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000655753321 461420595 /nfs/dbraw/zinc/42/05/95/461420595.db2.gz XGODPRDOWJPFSN-AABGKKOBSA-N 2 1 338.536 3.203 20 0 EGADMP FC1(F)CCCC[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655769267 461435795 /nfs/dbraw/zinc/43/57/95/461435795.db2.gz GWYZYZMDQUWOGJ-DOTOQJQBSA-N 2 1 330.463 3.435 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000655779673 461443175 /nfs/dbraw/zinc/44/31/75/461443175.db2.gz QGEJFEVFPCZPGA-ALOPSCKCSA-N 2 1 328.435 3.035 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000655779673 461443187 /nfs/dbraw/zinc/44/31/87/461443187.db2.gz QGEJFEVFPCZPGA-ALOPSCKCSA-N 2 1 328.435 3.035 20 0 EGADMP OCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000666120656 461461540 /nfs/dbraw/zinc/46/15/40/461461540.db2.gz PBGFHAGBMUWGQV-LPHOPBHVSA-N 2 1 336.907 3.413 20 0 EGADMP CC[C@H]1CN(C(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)CC[C@@H]1[NH3+] ZINC000647009536 461481535 /nfs/dbraw/zinc/48/15/35/461481535.db2.gz FNIOCQXBGKEUME-HKUYNNGSSA-N 2 1 331.504 3.116 20 0 EGADMP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638580147 461491191 /nfs/dbraw/zinc/49/11/91/461491191.db2.gz DXURDXJCVYGWSJ-MJGOQNOKSA-N 2 1 343.515 3.249 20 0 EGADMP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638580147 461491196 /nfs/dbraw/zinc/49/11/96/461491196.db2.gz DXURDXJCVYGWSJ-MJGOQNOKSA-N 2 1 343.515 3.249 20 0 EGADMP c1ccc(C[NH+]2CCC(N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000655850462 461497957 /nfs/dbraw/zinc/49/79/57/461497957.db2.gz VSSFQEAGCPNHKV-SFTDATJTSA-N 2 1 327.516 3.258 20 0 EGADMP c1ccc(C[NH+]2CCC(N[C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000655850462 461497960 /nfs/dbraw/zinc/49/79/60/461497960.db2.gz VSSFQEAGCPNHKV-SFTDATJTSA-N 2 1 327.516 3.258 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000653108154 461504509 /nfs/dbraw/zinc/50/45/09/461504509.db2.gz KPPXLVLCMHRHLW-WMZOPIPTSA-N 2 1 329.488 3.389 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[NH2+]CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000653113034 461506452 /nfs/dbraw/zinc/50/64/52/461506452.db2.gz QLPCBJKMYUOQMY-RLLQIKCJSA-N 2 1 343.515 3.060 20 0 EGADMP CCN(Cc1cc(OC)ns1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659969356 461520862 /nfs/dbraw/zinc/52/08/62/461520862.db2.gz AXLSZJISFWBSJW-QGZVFWFLSA-N 2 1 345.512 3.496 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(CO)cc2)[C@@H]1c1cccs1 ZINC000638670784 461524942 /nfs/dbraw/zinc/52/49/42/461524942.db2.gz KNBNKSVQCNALPY-IEBWSBKVSA-N 2 1 330.497 3.413 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(CO)cc2)[C@@H]1c1cccs1 ZINC000638670784 461524950 /nfs/dbraw/zinc/52/49/50/461524950.db2.gz KNBNKSVQCNALPY-IEBWSBKVSA-N 2 1 330.497 3.413 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc3ccccc3n2C)C[C@H](C)O1 ZINC000638680560 461532612 /nfs/dbraw/zinc/53/26/12/461532612.db2.gz DZOSFJUIQZIQLK-CALCHBBNSA-N 2 1 329.488 3.157 20 0 EGADMP Cc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(F)c1 ZINC000631085251 461534485 /nfs/dbraw/zinc/53/44/85/461534485.db2.gz IXXFDODYIYHJRK-UHFFFAOYSA-N 2 1 328.435 3.300 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)o1 ZINC000647200777 461561754 /nfs/dbraw/zinc/56/17/54/461561754.db2.gz GLQNHKISBHKJFS-OAHLLOKOSA-N 2 1 330.476 3.343 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+]CCCc2cnn(C)c2)C[N@H+]1Cc1ccccc1 ZINC000638797397 461585275 /nfs/dbraw/zinc/58/52/75/461585275.db2.gz QSYXPFQSSAPLKH-QUCCMNQESA-N 2 1 340.515 3.243 20 0 EGADMP Brc1ccc2[nH+]ccc(N3CC[C@@H]4CC[NH2+][C@H]4C3)c2c1 ZINC000643031931 461593981 /nfs/dbraw/zinc/59/39/81/461593981.db2.gz ZNAHESBVCUKEPW-NHYWBVRUSA-N 2 1 332.245 3.186 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3cc(F)ccc3[C@@H]2C)cc1 ZINC000643058191 461599415 /nfs/dbraw/zinc/59/94/15/461599415.db2.gz LKTKDSAWINFTGE-YOEHRIQHSA-N 2 1 328.431 3.496 20 0 EGADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000660128379 461599513 /nfs/dbraw/zinc/59/95/13/461599513.db2.gz LUMOLQHKOTXIDN-GFCCVEGCSA-N 2 1 325.334 3.150 20 0 EGADMP Cn1ccnc1[C@@H]1CCN(Cc2cccc(F)c2OC(F)F)C1 ZINC000660128379 461599522 /nfs/dbraw/zinc/59/95/22/461599522.db2.gz LUMOLQHKOTXIDN-GFCCVEGCSA-N 2 1 325.334 3.150 20 0 EGADMP CCNC(=O)[C@@H](C)NC[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638846860 461614552 /nfs/dbraw/zinc/61/45/52/461614552.db2.gz FQWNDUGMKHRISY-DYESRHJHSA-N 2 1 345.531 3.039 20 0 EGADMP CCNC(=O)[C@@H](C)[NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638846860 461614557 /nfs/dbraw/zinc/61/45/57/461614557.db2.gz FQWNDUGMKHRISY-DYESRHJHSA-N 2 1 345.531 3.039 20 0 EGADMP CCNC(=O)[C@@H](C)[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638846860 461614567 /nfs/dbraw/zinc/61/45/67/461614567.db2.gz FQWNDUGMKHRISY-DYESRHJHSA-N 2 1 345.531 3.039 20 0 EGADMP CC(C)n1cncc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631193205 461633107 /nfs/dbraw/zinc/63/31/07/461633107.db2.gz CAKWREBOAOBXQQ-IEBWSBKVSA-N 2 1 326.488 3.322 20 0 EGADMP CC(C)n1cncc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631193205 461633114 /nfs/dbraw/zinc/63/31/14/461633114.db2.gz CAKWREBOAOBXQQ-IEBWSBKVSA-N 2 1 326.488 3.322 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1-n1ccnn1 ZINC000663465541 461655387 /nfs/dbraw/zinc/65/53/87/461655387.db2.gz KJMOOWLHUIVQGI-SJLPKXTDSA-N 2 1 339.487 3.040 20 0 EGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663467850 461657450 /nfs/dbraw/zinc/65/74/50/461657450.db2.gz IHOKDDQKSPBKKG-CRAIPNDOSA-N 2 1 329.488 3.418 20 0 EGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663467850 461657459 /nfs/dbraw/zinc/65/74/59/461657459.db2.gz IHOKDDQKSPBKKG-CRAIPNDOSA-N 2 1 329.488 3.418 20 0 EGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663470530 461659958 /nfs/dbraw/zinc/65/99/58/461659958.db2.gz VAWCITSZZQBOGT-HKUYNNGSSA-N 2 1 343.515 3.424 20 0 EGADMP OCC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCCC1 ZINC000639057370 461697023 /nfs/dbraw/zinc/69/70/23/461697023.db2.gz ZTHKIXLVIRYMLI-QUCCMNQESA-N 2 1 328.500 3.497 20 0 EGADMP OCC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCCC1 ZINC000639057370 461697031 /nfs/dbraw/zinc/69/70/31/461697031.db2.gz ZTHKIXLVIRYMLI-QUCCMNQESA-N 2 1 328.500 3.497 20 0 EGADMP Cc1nc2c(n1[C@@H]1CC[N@H+]([C@@H](C)c3cnc(C)nc3C)C1)CCCC2 ZINC000639076827 461709440 /nfs/dbraw/zinc/70/94/40/461709440.db2.gz RHSVBOCQAJTBPM-WMLDXEAASA-N 2 1 339.487 3.485 20 0 EGADMP CC[N@@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1)C1CCCCC1 ZINC000650372262 461728395 /nfs/dbraw/zinc/72/83/95/461728395.db2.gz LMIVKKNXGWIKCW-UHFFFAOYSA-N 2 1 328.460 3.109 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000647485678 461732068 /nfs/dbraw/zinc/73/20/68/461732068.db2.gz OQRYEWKBFAUHTA-OAHLLOKOSA-N 2 1 338.455 3.265 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000647485678 461732077 /nfs/dbraw/zinc/73/20/77/461732077.db2.gz OQRYEWKBFAUHTA-OAHLLOKOSA-N 2 1 338.455 3.265 20 0 EGADMP CC[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC[C@H]1[NH3+] ZINC000647497645 461737426 /nfs/dbraw/zinc/73/74/26/461737426.db2.gz OIBWMEBZDGVXGT-TZMCWYRMSA-N 2 1 334.357 3.326 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC[C@H]1[NH3+] ZINC000647497645 461737436 /nfs/dbraw/zinc/73/74/36/461737436.db2.gz OIBWMEBZDGVXGT-TZMCWYRMSA-N 2 1 334.357 3.326 20 0 EGADMP C[C@H](N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@H]1CCC[NH2+]1 ZINC000643480208 461740031 /nfs/dbraw/zinc/74/00/31/461740031.db2.gz FTOPEMDQMNLFQY-OUJGAGHGSA-N 2 1 327.516 3.017 20 0 EGADMP CO[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000669621129 461744652 /nfs/dbraw/zinc/74/46/52/461744652.db2.gz ITZDYBUYPGRRBJ-YLJYHZDGSA-N 2 1 332.488 3.161 20 0 EGADMP Clc1ccc2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cn2c1 ZINC000647542712 461753852 /nfs/dbraw/zinc/75/38/52/461753852.db2.gz AMQSPWQDBZZSNA-LSDHHAIUSA-N 2 1 332.879 3.199 20 0 EGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542774 461757246 /nfs/dbraw/zinc/75/72/46/461757246.db2.gz BPYOAYGTFBWMMR-QZTJIDSGSA-N 2 1 332.536 3.467 20 0 EGADMP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543518 461757716 /nfs/dbraw/zinc/75/77/16/461757716.db2.gz ORGFPYDIKWFDGV-OALUTQOASA-N 2 1 338.499 3.392 20 0 EGADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000647544087 461759371 /nfs/dbraw/zinc/75/93/71/461759371.db2.gz WOASNDDQJNADEN-RBUKOAKNSA-N 2 1 338.499 3.299 20 0 EGADMP COc1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc(OC)c1OC ZINC000643546740 461759765 /nfs/dbraw/zinc/75/97/65/461759765.db2.gz UGBCUDVARMGWMQ-ZFWWWQNUSA-N 2 1 334.460 3.038 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3cc(F)ccc3[C@H]2C)CC1 ZINC000669690179 461768746 /nfs/dbraw/zinc/76/87/46/461768746.db2.gz ADXVAEKBEVLHTG-QGZVFWFLSA-N 2 1 333.495 3.161 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CCC[C@H]3C[NH+](C)CC[C@H]31)CC2 ZINC000639177223 461781957 /nfs/dbraw/zinc/78/19/57/461781957.db2.gz BXEKWRWSXRUJMH-CGTJXYLNSA-N 2 1 330.472 3.107 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CCC[C@H]3C[N@H+](C)CC[C@H]31)CC2 ZINC000639177223 461781963 /nfs/dbraw/zinc/78/19/63/461781963.db2.gz BXEKWRWSXRUJMH-CGTJXYLNSA-N 2 1 330.472 3.107 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH+]1CCC[C@H]3C[N@@H+](C)CC[C@H]31)CC2 ZINC000639177223 461781968 /nfs/dbraw/zinc/78/19/68/461781968.db2.gz BXEKWRWSXRUJMH-CGTJXYLNSA-N 2 1 330.472 3.107 20 0 EGADMP CC(C)c1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(O)c(=O)c1 ZINC000663831619 461828541 /nfs/dbraw/zinc/82/85/41/461828541.db2.gz WUHVCKKWXLKRIM-UHFFFAOYSA-N 2 1 346.515 3.428 20 0 EGADMP C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1C[C@H]1CC[NH2+]C1)OCCO3 ZINC000647874476 461867143 /nfs/dbraw/zinc/86/71/43/461867143.db2.gz ZRNYYTFUJCIELH-HOTGVXAUSA-N 2 1 342.483 3.256 20 0 EGADMP COc1cccc(C[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H]2CCCO2)c1 ZINC000647882059 461869773 /nfs/dbraw/zinc/86/97/73/461869773.db2.gz HGGNDZIQQPKYRJ-NRFANRHFSA-N 2 1 346.515 3.456 20 0 EGADMP CC[C@@H]1C[N@@H+](CCCc2nc(-c3ccc(C)c(F)c3)no2)CC[C@@H]1[NH3+] ZINC000647937856 461894033 /nfs/dbraw/zinc/89/40/33/461894033.db2.gz DDTOQSNYTFDDHG-PBHICJAKSA-N 2 1 346.450 3.176 20 0 EGADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784711 461894122 /nfs/dbraw/zinc/89/41/22/461894122.db2.gz GDMCYWYNMJDYRE-QGZVFWFLSA-N 2 1 325.456 3.152 20 0 EGADMP CC[C@@H]1C[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC[C@@H]1[NH3+] ZINC000647936961 461894495 /nfs/dbraw/zinc/89/44/95/461894495.db2.gz OKQRMWOAWLBQOF-AEFFLSMTSA-N 2 1 349.494 3.012 20 0 EGADMP CC[C@@H]1C[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC[C@@H]1[NH3+] ZINC000647936961 461894501 /nfs/dbraw/zinc/89/45/01/461894501.db2.gz OKQRMWOAWLBQOF-AEFFLSMTSA-N 2 1 349.494 3.012 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)C1 ZINC000650705554 461897778 /nfs/dbraw/zinc/89/77/78/461897778.db2.gz LGIVYSMYETXBKA-BFYDXBDKSA-N 2 1 340.414 3.006 20 0 EGADMP COc1ccc([C@H](C)C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650707542 461900916 /nfs/dbraw/zinc/90/09/16/461900916.db2.gz IJJZGJWOQMJVRB-HGKSCXNLSA-N 2 1 332.488 3.017 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cnc(C4CCC4)s3)C2)C1 ZINC000650707594 461901426 /nfs/dbraw/zinc/90/14/26/461901426.db2.gz JCVVBBNARAAOOD-INMHGKMJSA-N 2 1 335.517 3.129 20 0 EGADMP Fc1ccc(CCN2CCC([NH2+][C@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC000666995200 461903560 /nfs/dbraw/zinc/90/35/60/461903560.db2.gz GBBJETKJWYCMDI-FQEVSTJZSA-N 2 1 345.506 3.097 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655367 461907317 /nfs/dbraw/zinc/90/73/17/461907317.db2.gz GWGXEJFUCUSMCG-IBGZPJMESA-N 2 1 347.528 3.155 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660655367 461907321 /nfs/dbraw/zinc/90/73/21/461907321.db2.gz GWGXEJFUCUSMCG-IBGZPJMESA-N 2 1 347.528 3.155 20 0 EGADMP CSc1ccccc1NC(=O)CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660655367 461907323 /nfs/dbraw/zinc/90/73/23/461907323.db2.gz GWGXEJFUCUSMCG-IBGZPJMESA-N 2 1 347.528 3.155 20 0 EGADMP C[N@H+]1CC[C@]2(C1)CCCN(CCOc1ccc(F)cc1Cl)C2 ZINC000660663396 461912767 /nfs/dbraw/zinc/91/27/67/461912767.db2.gz NSZGXNAICCDDGZ-KRWDZBQOSA-N 2 1 326.843 3.276 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cnc3ccccc3c2)C1 ZINC000650723460 461914346 /nfs/dbraw/zinc/91/43/46/461914346.db2.gz OKBBZXQUAGOSRQ-MISYRCLQSA-N 2 1 325.456 3.096 20 0 EGADMP Fc1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647975667 461916651 /nfs/dbraw/zinc/91/66/51/461916651.db2.gz DIZWJXYAXZLHIF-HZPDHXFCSA-N 2 1 344.434 3.087 20 0 EGADMP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976309 461919180 /nfs/dbraw/zinc/91/91/80/461919180.db2.gz MZOPVUDDQABHNF-BZUAXINKSA-N 2 1 340.471 3.108 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647977332 461919281 /nfs/dbraw/zinc/91/92/81/461919281.db2.gz AAGYQOHCLXNMRH-FHWLQOOXSA-N 2 1 343.515 3.342 20 0 EGADMP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978158 461920088 /nfs/dbraw/zinc/92/00/88/461920088.db2.gz NJKUNPZFDWCBMQ-KZNAEPCWSA-N 2 1 339.487 3.040 20 0 EGADMP FC(F)(F)c1csc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647977799 461921190 /nfs/dbraw/zinc/92/11/90/461921190.db2.gz HRPWZNJDEPVJFI-RYUDHWBXSA-N 2 1 333.423 3.374 20 0 EGADMP FC(F)(F)c1csc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647977799 461921195 /nfs/dbraw/zinc/92/11/95/461921195.db2.gz HRPWZNJDEPVJFI-RYUDHWBXSA-N 2 1 333.423 3.374 20 0 EGADMP C[C@H]1CC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@H]1C[NH3+] ZINC000667039592 461924284 /nfs/dbraw/zinc/92/42/84/461924284.db2.gz XZJCHIONVLTWRG-WMLDXEAASA-N 2 1 332.879 3.002 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@H]1C[NH3+] ZINC000667039592 461924289 /nfs/dbraw/zinc/92/42/89/461924289.db2.gz XZJCHIONVLTWRG-WMLDXEAASA-N 2 1 332.879 3.002 20 0 EGADMP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000660696171 461926830 /nfs/dbraw/zinc/92/68/30/461926830.db2.gz OGBJSYYPUBPYEL-QGZVFWFLSA-N 2 1 330.516 3.309 20 0 EGADMP C[C@@H](NCc1ccc(C[NH3+])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000650754216 461935437 /nfs/dbraw/zinc/93/54/37/461935437.db2.gz DDPWVSCZADZUJU-UZLBHIALSA-N 2 1 341.474 3.285 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000650754216 461935440 /nfs/dbraw/zinc/93/54/40/461935440.db2.gz DDPWVSCZADZUJU-UZLBHIALSA-N 3 1 341.474 3.285 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000650754216 461935443 /nfs/dbraw/zinc/93/54/43/461935443.db2.gz DDPWVSCZADZUJU-UZLBHIALSA-N 3 1 341.474 3.285 20 0 EGADMP CC(C)n1cc(C2=CCC[N@H+](CCC[NH+]3CCCCC3)CC2)nn1 ZINC000660717994 461936633 /nfs/dbraw/zinc/93/66/33/461936633.db2.gz NPHTUKIQQBFZPE-UHFFFAOYSA-N 2 1 331.508 3.214 20 0 EGADMP CC(C)n1cc(C2=CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)nn1 ZINC000660717994 461936641 /nfs/dbraw/zinc/93/66/41/461936641.db2.gz NPHTUKIQQBFZPE-UHFFFAOYSA-N 2 1 331.508 3.214 20 0 EGADMP COCc1ccccc1/C=C(\C)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072165 461969174 /nfs/dbraw/zinc/96/91/74/461969174.db2.gz PJXWMMJROUPXFU-NBVRZTHBSA-N 2 1 344.499 3.033 20 0 EGADMP COCc1ccccc1/C=C(\C)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072165 461969179 /nfs/dbraw/zinc/96/91/79/461969179.db2.gz PJXWMMJROUPXFU-NBVRZTHBSA-N 2 1 344.499 3.033 20 0 EGADMP CCN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC000667196043 461991846 /nfs/dbraw/zinc/99/18/46/461991846.db2.gz NSKMFNVVFAAJFU-MJGOQNOKSA-N 2 1 344.503 3.184 20 0 EGADMP CSc1ccc(CC[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000644638259 462017633 /nfs/dbraw/zinc/01/76/33/462017633.db2.gz PXHYSLQYTWANBA-LJQANCHMSA-N 2 1 344.524 3.034 20 0 EGADMP CSc1ccc(CC[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000644638259 462017638 /nfs/dbraw/zinc/01/76/38/462017638.db2.gz PXHYSLQYTWANBA-LJQANCHMSA-N 2 1 344.524 3.034 20 0 EGADMP c1cc(O[C@H]2CCOC2)ccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000657386360 462089085 /nfs/dbraw/zinc/08/90/85/462089085.db2.gz FWUNVQSYPFARQJ-NRFANRHFSA-N 2 1 344.499 3.351 20 0 EGADMP OCCOCC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCC1 ZINC000661099454 462102177 /nfs/dbraw/zinc/10/21/77/462102177.db2.gz JLSMWYYXNCWHFT-UHFFFAOYSA-N 2 1 346.515 3.036 20 0 EGADMP C[C@@H]([NH2+]Cc1ccnn1CC1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657431375 462118276 /nfs/dbraw/zinc/11/82/76/462118276.db2.gz VZPKVYIQZOARQA-XLIONFOSSA-N 2 1 338.499 3.293 20 0 EGADMP C[C@@H]([NH2+]Cc1ccnn1CC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657431375 462118285 /nfs/dbraw/zinc/11/82/85/462118285.db2.gz VZPKVYIQZOARQA-XLIONFOSSA-N 2 1 338.499 3.293 20 0 EGADMP CCCc1ccc2[nH+]ccc(N3CCC([N@H+]4CC[C@H](O)C4)CC3)c2c1 ZINC000664596585 462119210 /nfs/dbraw/zinc/11/92/10/462119210.db2.gz ITZBSBLAQUHXCY-SFHVURJKSA-N 2 1 339.483 3.223 20 0 EGADMP CC[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CCO1 ZINC000648445342 462122047 /nfs/dbraw/zinc/12/20/47/462122047.db2.gz HQBQROMSESYFBT-QZTJIDSGSA-N 2 1 335.492 3.051 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000654309118 462151160 /nfs/dbraw/zinc/15/11/60/462151160.db2.gz VSWUKDCYVBKPMB-UXHICEINSA-N 2 1 343.515 3.275 20 0 EGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000667668227 462200372 /nfs/dbraw/zinc/20/03/72/462200372.db2.gz GNJCAXAXBQFVNV-UYAOXDASSA-N 2 1 332.488 3.161 20 0 EGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000667668227 462200378 /nfs/dbraw/zinc/20/03/78/462200378.db2.gz GNJCAXAXBQFVNV-UYAOXDASSA-N 2 1 332.488 3.161 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000667668227 462200390 /nfs/dbraw/zinc/20/03/90/462200390.db2.gz GNJCAXAXBQFVNV-UYAOXDASSA-N 2 1 332.488 3.161 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000667668227 462200396 /nfs/dbraw/zinc/20/03/96/462200396.db2.gz GNJCAXAXBQFVNV-UYAOXDASSA-N 2 1 332.488 3.161 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000667673009 462206477 /nfs/dbraw/zinc/20/64/77/462206477.db2.gz NAYGIAJKUYRWKP-PKOBYXMFSA-N 2 1 334.504 3.264 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000667673009 462206482 /nfs/dbraw/zinc/20/64/82/462206482.db2.gz NAYGIAJKUYRWKP-PKOBYXMFSA-N 2 1 334.504 3.264 20 0 EGADMP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000657678977 462227475 /nfs/dbraw/zinc/22/74/75/462227475.db2.gz XPGCUGROABZGTP-GOSISDBHSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000657678977 462227483 /nfs/dbraw/zinc/22/74/83/462227483.db2.gz XPGCUGROABZGTP-GOSISDBHSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667731054 462236127 /nfs/dbraw/zinc/23/61/27/462236127.db2.gz LDKQCIKXKGWCHL-GASCZTMLSA-N 2 1 332.492 3.023 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc2ccncc2s1 ZINC000657878361 462306105 /nfs/dbraw/zinc/30/61/05/462306105.db2.gz GYFOKKIWNITYLA-HOCLYGCPSA-N 2 1 333.501 3.184 20 0 EGADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000665246511 462367498 /nfs/dbraw/zinc/36/74/98/462367498.db2.gz HCXYGNVEOSGAPX-LJQANCHMSA-N 2 1 325.456 3.235 20 0 EGADMP COc1ccc(-c2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)on2)cc1 ZINC000665262206 462376129 /nfs/dbraw/zinc/37/61/29/462376129.db2.gz WBUJNFDKIRSYLU-IPMKNSEASA-N 2 1 341.455 3.361 20 0 EGADMP c1ccc([C@@H]2C[C@H](N[C@H]3CC[N@H+](C4CCCCC4)C3)CC[NH2+]2)cc1 ZINC000665268311 462377486 /nfs/dbraw/zinc/37/74/86/462377486.db2.gz MDZSZUUCUBJEPX-DYXWJJEUSA-N 2 1 327.516 3.476 20 0 EGADMP C[C@@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000658090807 462380111 /nfs/dbraw/zinc/38/01/11/462380111.db2.gz JRLDQNABJAEXLX-SJLPKXTDSA-N 2 1 333.520 3.150 20 0 EGADMP C[C@@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000658090807 462380115 /nfs/dbraw/zinc/38/01/15/462380115.db2.gz JRLDQNABJAEXLX-SJLPKXTDSA-N 2 1 333.520 3.150 20 0 EGADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc(-c2ccsc2)no1 ZINC000640531151 462430365 /nfs/dbraw/zinc/43/03/65/462430365.db2.gz FWYIKFZYFBAZLC-UHFFFAOYSA-N 2 1 334.489 3.496 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc(-c2ccsc2)no1 ZINC000640531151 462430371 /nfs/dbraw/zinc/43/03/71/462430371.db2.gz FWYIKFZYFBAZLC-UHFFFAOYSA-N 2 1 334.489 3.496 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1[NH2+]CC1(C)C)C1CCCCC1 ZINC000649276922 462465758 /nfs/dbraw/zinc/46/57/58/462465758.db2.gz SOXCBWZXMCVQQE-SFHVURJKSA-N 2 1 329.488 3.388 20 0 EGADMP Cc1cc(C)n(CC[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000649416796 462503334 /nfs/dbraw/zinc/50/33/34/462503334.db2.gz LYTWPGCMDQMACG-SFTDATJTSA-N 2 1 340.515 3.172 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)C(C)C ZINC000662108926 462527488 /nfs/dbraw/zinc/52/74/88/462527488.db2.gz SLGIFKNLVVTYHY-FQEVSTJZSA-N 2 1 345.531 3.449 20 0 EGADMP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccsc4)cc3)CC2)C1 ZINC000662151772 462532083 /nfs/dbraw/zinc/53/20/83/462532083.db2.gz LBEMYRMPKPUKNR-FQEVSTJZSA-N 2 1 342.508 3.446 20 0 EGADMP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-c4ccsc4)cc3)CC2)C1 ZINC000662151772 462532084 /nfs/dbraw/zinc/53/20/84/462532084.db2.gz LBEMYRMPKPUKNR-FQEVSTJZSA-N 2 1 342.508 3.446 20 0 EGADMP C[C@H]1CC[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1 ZINC000174344224 533765128 /nfs/dbraw/zinc/76/51/28/533765128.db2.gz ISDMWODFKGHLJF-HKUYNNGSSA-N 2 1 346.515 3.454 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000158779564 534004109 /nfs/dbraw/zinc/00/41/09/534004109.db2.gz ZWZCNNJZWFIKEG-IAGOWNOFSA-N 2 1 332.517 3.225 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000158779564 534004115 /nfs/dbraw/zinc/00/41/15/534004115.db2.gz ZWZCNNJZWFIKEG-IAGOWNOFSA-N 2 1 332.517 3.225 20 0 EGADMP c1ccc2c(c1)SCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132849114 534503330 /nfs/dbraw/zinc/50/33/30/534503330.db2.gz NXSOGFBCXMUWDD-QAPCUYQASA-N 2 1 332.513 3.314 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(N(C)C)nc3ccccc23)[C@H](C)C1 ZINC000154456849 527801187 /nfs/dbraw/zinc/80/11/87/527801187.db2.gz NIWIRZWFTUENFH-CRAIPNDOSA-N 2 1 326.488 3.121 20 0 EGADMP CCN(CC)C(=O)CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178077985 528010875 /nfs/dbraw/zinc/01/08/75/528010875.db2.gz JFNHTXHZYIMBFG-MRXNPFEDSA-N 2 1 342.487 3.480 20 0 EGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000165998273 528037948 /nfs/dbraw/zinc/03/79/48/528037948.db2.gz WULYBKUZSWBNJV-OXQOHEQNSA-N 3 1 344.503 3.188 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N(C)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000153710011 528261916 /nfs/dbraw/zinc/26/19/16/528261916.db2.gz PHXNPTVQEJGXTD-IBGZPJMESA-N 2 1 342.487 3.123 20 0 EGADMP CCOc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OCC ZINC000154902781 528425354 /nfs/dbraw/zinc/42/53/54/528425354.db2.gz UOWJMUMEBSNYNE-JZXOWHBKSA-N 2 1 334.504 3.345 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000191505655 529040916 /nfs/dbraw/zinc/04/09/16/529040916.db2.gz NRYAAOIOPJDHPW-UHFFFAOYSA-N 2 1 335.923 3.114 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@](C)(c3ccccc3)C2)CC1 ZINC000191494489 529041641 /nfs/dbraw/zinc/04/16/41/529041641.db2.gz RXNVIEWAMBSNRD-JOCHJYFZSA-N 2 1 343.559 3.456 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000154469649 529143356 /nfs/dbraw/zinc/14/33/56/529143356.db2.gz HKXKSXDJXHFHSL-SFHVURJKSA-N 2 1 333.545 3.231 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H](C[NH+](CC)CC)C1)[N@@H+](C)Cc1ccccc1 ZINC000354572483 536088484 /nfs/dbraw/zinc/08/84/84/536088484.db2.gz IDYAWSCWTCSIHV-WOJBJXKFSA-N 2 1 345.531 3.087 20 0 EGADMP COC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(C)o1 ZINC000080237562 546599155 /nfs/dbraw/zinc/59/91/55/546599155.db2.gz AYVPVCVLZZGXIT-GOSISDBHSA-N 2 1 332.444 3.006 20 0 EGADMP COC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCOCC1 ZINC000090651372 546659960 /nfs/dbraw/zinc/65/99/60/546659960.db2.gz WMMLAHPYFVHSGD-HNNXBMFYSA-N 2 1 329.444 3.027 20 0 EGADMP C[C@@H]1CC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000090965377 546661402 /nfs/dbraw/zinc/66/14/02/546661402.db2.gz FFMRJRBYOOURBK-HZPDHXFCSA-N 2 1 334.479 3.378 20 0 EGADMP CCC[NH+]1CCC(NC[C@@H](CC)[N@H+]2CCc3ccccc3C2)CC1 ZINC000123088610 546737501 /nfs/dbraw/zinc/73/75/01/546737501.db2.gz RELJSDMWSKKKHS-OAQYLSRUSA-N 2 1 329.532 3.287 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@@H](CC)N2CCc3ccccc3C2)CC1 ZINC000123088610 546737507 /nfs/dbraw/zinc/73/75/07/546737507.db2.gz RELJSDMWSKKKHS-OAQYLSRUSA-N 2 1 329.532 3.287 20 0 EGADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000161594938 546957499 /nfs/dbraw/zinc/95/74/99/546957499.db2.gz AXVJNWZAEJSQGT-RXVVDRJESA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000163270620 546971264 /nfs/dbraw/zinc/97/12/64/546971264.db2.gz VWJMKVORCSLKTL-LQWHRVPQSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000163270620 546971268 /nfs/dbraw/zinc/97/12/68/546971268.db2.gz VWJMKVORCSLKTL-LQWHRVPQSA-N 3 1 329.532 3.359 20 0 EGADMP CC1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000166193128 546988378 /nfs/dbraw/zinc/98/83/78/546988378.db2.gz JQUSSOUIFZZKRD-RBUKOAKNSA-N 2 1 328.504 3.034 20 0 EGADMP CC1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000166193128 546988382 /nfs/dbraw/zinc/98/83/82/546988382.db2.gz JQUSSOUIFZZKRD-RBUKOAKNSA-N 2 1 328.504 3.034 20 0 EGADMP c1csc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166400770 546988739 /nfs/dbraw/zinc/98/87/39/546988739.db2.gz BHNVRNTUYVAAOD-ZWKOTPCHSA-N 3 1 333.545 3.177 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000179909730 547050940 /nfs/dbraw/zinc/05/09/40/547050940.db2.gz LUGLMLLQGAYEOI-BGYRXZFFSA-N 2 1 343.559 3.455 20 0 EGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000190946812 547177782 /nfs/dbraw/zinc/17/77/82/547177782.db2.gz CCCDPJOWWCEKOM-UHFFFAOYSA-N 2 1 343.437 3.131 20 0 EGADMP CC(C)CO[C@@H]1CC[N@@H+](CC[C@H](C)[NH+]2CC[C@H](OCC(C)C)C2)C1 ZINC000245677448 547267164 /nfs/dbraw/zinc/26/71/64/547267164.db2.gz IMMFQCDSRPKDST-ZCNNSNEGSA-N 2 1 340.552 3.259 20 0 EGADMP CC(C)CO[C@@H]1CC[NH+](CC[C@H](C)[N@@H+]2CC[C@H](OCC(C)C)C2)C1 ZINC000245677448 547267172 /nfs/dbraw/zinc/26/71/72/547267172.db2.gz IMMFQCDSRPKDST-ZCNNSNEGSA-N 2 1 340.552 3.259 20 0 EGADMP CC(C)CO[C@@H]1CC[NH+](CC[C@H](C)[N@H+]2CC[C@H](OCC(C)C)C2)C1 ZINC000245677448 547267179 /nfs/dbraw/zinc/26/71/79/547267179.db2.gz IMMFQCDSRPKDST-ZCNNSNEGSA-N 2 1 340.552 3.259 20 0 EGADMP C[C@@H]1C[N@@H+](CCCNCc2cscc2Br)CCCO1 ZINC000285842776 547390746 /nfs/dbraw/zinc/39/07/46/547390746.db2.gz HQDBCHAPPRTXQR-GFCCVEGCSA-N 2 1 347.322 3.101 20 0 EGADMP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339068645 547569165 /nfs/dbraw/zinc/56/91/65/547569165.db2.gz RYTYMNCOMLEZHL-ULQDDVLXSA-N 2 1 349.906 3.144 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)CC[N@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000339255692 547573055 /nfs/dbraw/zinc/57/30/55/547573055.db2.gz QQRMBBHGHCGBPO-IRXDYDNUSA-N 2 1 335.492 3.043 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000339352081 547575537 /nfs/dbraw/zinc/57/55/37/547575537.db2.gz IHCRLXUNLGUXGB-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000398106988 547836911 /nfs/dbraw/zinc/83/69/11/547836911.db2.gz MXLWDQCFMWSHAT-OBJCFNGXSA-N 2 1 327.516 3.160 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CN1Cc1ccccc1 ZINC000398106988 547836913 /nfs/dbraw/zinc/83/69/13/547836913.db2.gz MXLWDQCFMWSHAT-OBJCFNGXSA-N 2 1 327.516 3.160 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414292438 547855093 /nfs/dbraw/zinc/85/50/93/547855093.db2.gz BCZDKJDSQZBJAM-DDBAPUKQSA-N 2 1 338.442 3.035 20 0 EGADMP CC/C=C\CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000671720285 548342870 /nfs/dbraw/zinc/34/28/70/548342870.db2.gz WPAUSVWEQCBXRD-VKUXZERMSA-N 2 1 327.516 3.235 20 0 EGADMP c1ccc2c(c1)CSC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675880833 548995166 /nfs/dbraw/zinc/99/51/66/548995166.db2.gz HNTOKIHVVGXNNB-MJGOQNOKSA-N 2 1 332.513 3.208 20 0 EGADMP COc1ccc(-c2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)on2)cc1 ZINC000675897560 548999772 /nfs/dbraw/zinc/99/97/72/548999772.db2.gz DLEYHRGOBWEAME-OXQOHEQNSA-N 2 1 341.455 3.266 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)on2)cc1 ZINC000675897560 548999774 /nfs/dbraw/zinc/99/97/74/548999774.db2.gz DLEYHRGOBWEAME-OXQOHEQNSA-N 2 1 341.455 3.266 20 0 EGADMP COc1ccc(-c2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)on2)cc1 ZINC000675897560 548999776 /nfs/dbraw/zinc/99/97/76/548999776.db2.gz DLEYHRGOBWEAME-OXQOHEQNSA-N 2 1 341.455 3.266 20 0 EGADMP COc1ccc(-c2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)on2)cc1 ZINC000675897560 548999777 /nfs/dbraw/zinc/99/97/77/548999777.db2.gz DLEYHRGOBWEAME-OXQOHEQNSA-N 2 1 341.455 3.266 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2OCCc3ccccc32)[C@@H](C)C1 ZINC000678585901 549524284 /nfs/dbraw/zinc/52/42/84/549524284.db2.gz PXQMUDIZQRDYMU-DZFGPLHGSA-N 2 1 346.515 3.027 20 0 EGADMP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000678772246 549558219 /nfs/dbraw/zinc/55/82/19/549558219.db2.gz VXAHVOADUOLYDX-QUCCMNQESA-N 2 1 332.463 3.436 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(CO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000678929325 549596877 /nfs/dbraw/zinc/59/68/77/549596877.db2.gz KQDVABWMVLLSSK-PGRDOPGGSA-N 2 1 338.495 3.364 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(CO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000678929325 549596882 /nfs/dbraw/zinc/59/68/82/549596882.db2.gz KQDVABWMVLLSSK-PGRDOPGGSA-N 2 1 338.495 3.364 20 0 EGADMP COc1ccc(-c2nc(C[NH2+]CC3=CC[N@H+](C)CC3)cs2)cc1 ZINC000678940645 549600322 /nfs/dbraw/zinc/60/03/22/549600322.db2.gz HPMYJHMBCCWNDN-UHFFFAOYSA-N 2 1 329.469 3.170 20 0 EGADMP COc1ccc(-c2nc(C[NH2+]CC3=CC[N@@H+](C)CC3)cs2)cc1 ZINC000678940645 549600327 /nfs/dbraw/zinc/60/03/27/549600327.db2.gz HPMYJHMBCCWNDN-UHFFFAOYSA-N 2 1 329.469 3.170 20 0 EGADMP C[C@H]1C[C@@H](Nc2ccc(CC[NH+]3CCSCC3)cc2)CC[N@H+]1C ZINC000679143686 549643736 /nfs/dbraw/zinc/64/37/36/549643736.db2.gz YPAPBNVTEXOUGC-LPHOPBHVSA-N 2 1 333.545 3.173 20 0 EGADMP C[C@H]([NH2+]Cc1cnc2ccccn12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679288030 549680365 /nfs/dbraw/zinc/68/03/65/549680365.db2.gz BOVMEVYUPHQKCF-PKOBYXMFSA-N 2 1 334.467 3.335 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)[C@H](C)C2 ZINC000679341887 549692373 /nfs/dbraw/zinc/69/23/73/549692373.db2.gz JXOBGDVCGGADIC-LKUPVBHCSA-N 2 1 328.500 3.461 20 0 EGADMP Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000684091060 550290093 /nfs/dbraw/zinc/29/00/93/550290093.db2.gz JHSOOWFHGBQRIQ-MRXNPFEDSA-N 2 1 332.492 3.140 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000685444654 550417170 /nfs/dbraw/zinc/41/71/70/550417170.db2.gz SCJGZRRNIOEDPN-UHFFFAOYSA-N 2 1 346.515 3.123 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ncccc3C(F)(F)F)C2)CC1 ZINC000685463149 550420228 /nfs/dbraw/zinc/42/02/28/550420228.db2.gz SGCRAVKEVLOLRD-AWEZNQCLSA-N 2 1 327.394 3.264 20 0 EGADMP CN(C)c1ccccc1C[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685476513 550422178 /nfs/dbraw/zinc/42/21/78/550422178.db2.gz JIBUNNKONIMKGQ-UHFFFAOYSA-N 2 1 341.499 3.325 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000735658366 575699158 /nfs/dbraw/zinc/69/91/58/575699158.db2.gz DQPVUOMPDGKDOT-UHFFFAOYSA-N 2 1 325.541 3.077 20 0 EGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000383335801 576253925 /nfs/dbraw/zinc/25/39/25/576253925.db2.gz IOXBLZYHQGNBNB-APWZRJJASA-N 2 1 326.488 3.291 20 0 EGADMP C[N@H+](C[C@@H](O)c1cccc(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000743872891 576818134 /nfs/dbraw/zinc/81/81/34/576818134.db2.gz DWEYRBMFEQQNCN-GHTZIAJQSA-N 2 1 342.458 3.313 20 0 EGADMP C[N@@H+](C[C@@H](O)c1cccc(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000743872891 576818135 /nfs/dbraw/zinc/81/81/35/576818135.db2.gz DWEYRBMFEQQNCN-GHTZIAJQSA-N 2 1 342.458 3.313 20 0 EGADMP C[NH+](C[C@@H](O)c1cccc(F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743872891 576818136 /nfs/dbraw/zinc/81/81/36/576818136.db2.gz DWEYRBMFEQQNCN-GHTZIAJQSA-N 2 1 342.458 3.313 20 0 EGADMP C[NH+](C[C@@H](O)c1cccc(F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000743872891 576818137 /nfs/dbraw/zinc/81/81/37/576818137.db2.gz DWEYRBMFEQQNCN-GHTZIAJQSA-N 2 1 342.458 3.313 20 0 EGADMP CC[NH+](CC)Cc1cccc(NC(=S)NC[C@@H]2CCC[N@H+]2CC)c1 ZINC000044132924 1291475702 /nfs/dbraw/zinc/47/57/02/1291475702.db2.gz OWUZBYJHSAYAKV-SFHVURJKSA-N 2 1 348.560 3.299 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000067331994 1292158552 /nfs/dbraw/zinc/15/85/52/1292158552.db2.gz GDUQQZIORMANQE-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000067331994 1292158556 /nfs/dbraw/zinc/15/85/56/1292158556.db2.gz GDUQQZIORMANQE-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP C[C@@H](C[NH2+]Cc1cnn(Cc2ccccc2)c1)C[NH+]1CCCCC1 ZINC000075820393 1292412716 /nfs/dbraw/zinc/41/27/16/1292412716.db2.gz QCTXURZXSLXSHO-SFHVURJKSA-N 2 1 326.488 3.143 20 0 EGADMP FC(F)(F)c1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000076763680 1292441075 /nfs/dbraw/zinc/44/10/75/1292441075.db2.gz BZJSOZBACRPFQE-CQSZACIVSA-N 2 1 342.405 3.296 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnc(N(C)C)s1 ZINC000077327948 1292460063 /nfs/dbraw/zinc/46/00/63/1292460063.db2.gz HXRHQTQNGDYILE-UHFFFAOYSA-N 2 1 332.517 3.339 20 0 EGADMP CC[NH+](CC)Cc1cccc(CNC(=O)CCCn2cc[nH+]c2C)c1 ZINC000101646440 1292969010 /nfs/dbraw/zinc/96/90/10/1292969010.db2.gz JSDDBRFNWWOKAX-UHFFFAOYSA-N 2 1 342.487 3.130 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(OC)c(OC)c2)c1 ZINC000105449583 1293037575 /nfs/dbraw/zinc/03/75/75/1293037575.db2.gz PZDBCXUXBVTZDN-UHFFFAOYSA-N 2 1 328.456 3.445 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(N2CCCC2=O)cc1 ZINC000834911030 1293174021 /nfs/dbraw/zinc/17/40/21/1293174021.db2.gz XCKDRTWFDSMTQU-INIZCTEOSA-N 2 1 329.488 3.338 20 0 EGADMP CC(C)(O)[C@H]1CCC[NH+]1CCCCCC[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000119199681 1293259979 /nfs/dbraw/zinc/25/99/79/1293259979.db2.gz ACCDAFQYIQXTCH-QZTJIDSGSA-N 2 1 340.552 3.017 20 0 EGADMP Cn1ccc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c1 ZINC000127592448 1293568628 /nfs/dbraw/zinc/56/86/28/1293568628.db2.gz WYHFPHNOQRVZET-UHFFFAOYSA-N 2 1 326.488 3.415 20 0 EGADMP CC(C)COc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000130407255 1293655275 /nfs/dbraw/zinc/65/52/75/1293655275.db2.gz PXBMMJWXJSHFIB-LJQANCHMSA-N 2 1 346.515 3.312 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000130723520 1293666798 /nfs/dbraw/zinc/66/67/98/1293666798.db2.gz ZILXDBMYRRTDGV-IAGOWNOFSA-N 2 1 339.524 3.240 20 0 EGADMP CCN(c1ccccc1)c1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1 ZINC000131469018 1293691057 /nfs/dbraw/zinc/69/10/57/1293691057.db2.gz FZSLWJQUQAQLPR-NRFANRHFSA-N 2 1 341.499 3.247 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000132183787 1293711511 /nfs/dbraw/zinc/71/15/11/1293711511.db2.gz FHNICVXSUGCKCY-INIZCTEOSA-N 2 1 331.504 3.059 20 0 EGADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCCO2 ZINC000153718658 1294026508 /nfs/dbraw/zinc/02/65/08/1294026508.db2.gz VJZQDLMRYRHLCH-WOJBJXKFSA-N 2 1 346.515 3.289 20 0 EGADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000160121002 1294258406 /nfs/dbraw/zinc/25/84/06/1294258406.db2.gz IVGYENDRJZNVAD-QGZVFWFLSA-N 2 1 332.536 3.041 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000160121002 1294258410 /nfs/dbraw/zinc/25/84/10/1294258410.db2.gz IVGYENDRJZNVAD-QGZVFWFLSA-N 2 1 332.536 3.041 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000178705996 1294751865 /nfs/dbraw/zinc/75/18/65/1294751865.db2.gz PZLOIBVFFVJLCE-HOTGVXAUSA-N 2 1 340.471 3.305 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(F)c3Br)C[C@H]21 ZINC000228546277 1296154828 /nfs/dbraw/zinc/15/48/28/1296154828.db2.gz FZCCBDLLRTZYAZ-MPKXVKKWSA-N 2 1 327.241 3.147 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(F)c3Br)C[C@H]21 ZINC000228546277 1296154835 /nfs/dbraw/zinc/15/48/35/1296154835.db2.gz FZCCBDLLRTZYAZ-MPKXVKKWSA-N 2 1 327.241 3.147 20 0 EGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000236938485 1296212792 /nfs/dbraw/zinc/21/27/92/1296212792.db2.gz TVYGCQKGTJODKR-SJLPKXTDSA-N 2 1 331.504 3.093 20 0 EGADMP COc1ccc(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)cn1 ZINC000237326883 1296236966 /nfs/dbraw/zinc/23/69/66/1296236966.db2.gz NLJJBNURGZCOAD-UHFFFAOYSA-N 2 1 327.472 3.338 20 0 EGADMP COc1ccc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)cn1 ZINC000237326883 1296236974 /nfs/dbraw/zinc/23/69/74/1296236974.db2.gz NLJJBNURGZCOAD-UHFFFAOYSA-N 2 1 327.472 3.338 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000250024405 1296454163 /nfs/dbraw/zinc/45/41/63/1296454163.db2.gz RMNMYDIEPZBVTJ-YZGWKJHDSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000250024405 1296454167 /nfs/dbraw/zinc/45/41/67/1296454167.db2.gz RMNMYDIEPZBVTJ-YZGWKJHDSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000250024405 1296454171 /nfs/dbraw/zinc/45/41/71/1296454171.db2.gz RMNMYDIEPZBVTJ-YZGWKJHDSA-N 2 1 343.515 3.203 20 0 EGADMP Fc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OCC(F)(F)F ZINC000261936429 1296610320 /nfs/dbraw/zinc/61/03/20/1296610320.db2.gz DHUUOQHWFWQCCE-UHFFFAOYSA-N 2 1 346.368 3.342 20 0 EGADMP C[N@@H+](CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC000301636507 1296791815 /nfs/dbraw/zinc/79/18/15/1296791815.db2.gz BMBQBUQISCMKDW-MRXNPFEDSA-N 2 1 339.524 3.240 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000305378409 1297011458 /nfs/dbraw/zinc/01/14/58/1297011458.db2.gz VTIOCXPLZYKLMC-QZTJIDSGSA-N 2 1 340.870 3.337 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000310045490 1297084127 /nfs/dbraw/zinc/08/41/27/1297084127.db2.gz ZEWYUGNIPLLWDQ-IAGOWNOFSA-N 2 1 341.540 3.390 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000310136330 1297092741 /nfs/dbraw/zinc/09/27/41/1297092741.db2.gz ZMAYTSFHQPTEQZ-IKGGRYGDSA-N 2 1 341.540 3.483 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000310136330 1297092752 /nfs/dbraw/zinc/09/27/52/1297092752.db2.gz ZMAYTSFHQPTEQZ-IKGGRYGDSA-N 2 1 341.540 3.483 20 0 EGADMP [NH2+]=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)NC1CCCC1 ZINC000310426217 1297095783 /nfs/dbraw/zinc/09/57/83/1297095783.db2.gz RRVBBKRSFQRGJR-SFHVURJKSA-N 2 1 328.504 3.345 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000340901437 1297317905 /nfs/dbraw/zinc/31/79/05/1297317905.db2.gz JJRUWNHFSKUDDT-IRXDYDNUSA-N 2 1 340.471 3.010 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000340901437 1297317917 /nfs/dbraw/zinc/31/79/17/1297317917.db2.gz JJRUWNHFSKUDDT-IRXDYDNUSA-N 2 1 340.471 3.010 20 0 EGADMP CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccc2c(c1)OCO2 ZINC000873200304 1297346385 /nfs/dbraw/zinc/34/63/85/1297346385.db2.gz BEJYPKIXOGXVIF-UHFFFAOYSA-N 2 1 330.453 3.145 20 0 EGADMP O[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873206209 1297351980 /nfs/dbraw/zinc/35/19/80/1297351980.db2.gz XGIKVKGSNFVYBP-QUCCMNQESA-N 2 1 342.508 3.482 20 0 EGADMP c1coc(-c2nc(C[NH2+]Cc3cc4c(s3)CC[NH2+]C4)cs2)c1 ZINC000873211226 1297355966 /nfs/dbraw/zinc/35/59/66/1297355966.db2.gz KUHRTXBGYXYEJU-UHFFFAOYSA-N 2 1 331.466 3.400 20 0 EGADMP Cn1nnc2cc(C[N@H+]3CCC[C@H](C[C@H]([NH3+])C4CCCC4)C3)ccc21 ZINC000873232004 1297372193 /nfs/dbraw/zinc/37/21/93/1297372193.db2.gz IWAFGSLSQCQKGA-QAPCUYQASA-N 2 1 341.503 3.088 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000355859081 1297460592 /nfs/dbraw/zinc/46/05/92/1297460592.db2.gz VYOWXUYYXDUNFM-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000355859081 1297460597 /nfs/dbraw/zinc/46/05/97/1297460597.db2.gz VYOWXUYYXDUNFM-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000355859081 1297460601 /nfs/dbraw/zinc/46/06/01/1297460601.db2.gz VYOWXUYYXDUNFM-VQTJNVASSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000381043251 1297549215 /nfs/dbraw/zinc/54/92/15/1297549215.db2.gz FCGMBTZNBZNWMX-BZUAXINKSA-N 2 1 327.513 3.141 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000381043251 1297549222 /nfs/dbraw/zinc/54/92/22/1297549222.db2.gz FCGMBTZNBZNWMX-BZUAXINKSA-N 2 1 327.513 3.141 20 0 EGADMP CC(C)(C)OC(=O)N(CC[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)C(C)(C)C ZINC000382907140 1297567082 /nfs/dbraw/zinc/56/70/82/1297567082.db2.gz WVEOWYRDGMXRFC-HOTGVXAUSA-N 2 1 339.524 3.238 20 0 EGADMP CC(C)(C)OC(=O)N(CC[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)C(C)(C)C ZINC000382907140 1297567089 /nfs/dbraw/zinc/56/70/89/1297567089.db2.gz WVEOWYRDGMXRFC-HOTGVXAUSA-N 2 1 339.524 3.238 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000387628034 1297597703 /nfs/dbraw/zinc/59/77/03/1297597703.db2.gz DPORHZJPMAKYJA-NQIIRXRSSA-N 2 1 345.531 3.039 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1O ZINC000398229618 1297716468 /nfs/dbraw/zinc/71/64/68/1297716468.db2.gz ZGEYPYCDQDFBHS-QFBILLFUSA-N 2 1 340.467 3.401 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1O ZINC000398229618 1297716480 /nfs/dbraw/zinc/71/64/80/1297716480.db2.gz ZGEYPYCDQDFBHS-QFBILLFUSA-N 2 1 340.467 3.401 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)CC[N@H+]1C ZINC000401330821 1297740602 /nfs/dbraw/zinc/74/06/02/1297740602.db2.gz POIVXHNNLZLXII-YJBOKZPZSA-N 2 1 347.503 3.284 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000404544805 1297755371 /nfs/dbraw/zinc/75/53/71/1297755371.db2.gz SNFJJIPZKSAEEF-IAGOWNOFSA-N 2 1 349.519 3.039 20 0 EGADMP C[C@@H]1CN(C(=O)CCCCC[NH3+])[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000404513036 1297755758 /nfs/dbraw/zinc/75/57/58/1297755758.db2.gz QTBPAWGBZRVFCB-KZNAEPCWSA-N 2 1 331.504 3.015 20 0 EGADMP C[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000699211221 1298169382 /nfs/dbraw/zinc/16/93/82/1298169382.db2.gz QMJJKNOQGYMJTJ-XSLAUPDRSA-N 2 1 327.516 3.113 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000700803858 1298180416 /nfs/dbraw/zinc/18/04/16/1298180416.db2.gz NFXUEEWHJOJEOM-IKGGRYGDSA-N 2 1 339.524 3.001 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn2ccccc12 ZINC000708588440 1298242240 /nfs/dbraw/zinc/24/22/40/1298242240.db2.gz UMDGXZZFRQJCPT-FXAWDEMLSA-N 2 1 334.467 3.192 20 0 EGADMP C[N@H+](CCSC(C)(C)C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711805892 1298262290 /nfs/dbraw/zinc/26/22/90/1298262290.db2.gz XNZXREMYZNUHGX-LJQANCHMSA-N 2 1 336.545 3.087 20 0 EGADMP C[N@@H+](CCSC(C)(C)C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711805892 1298262295 /nfs/dbraw/zinc/26/22/95/1298262295.db2.gz XNZXREMYZNUHGX-LJQANCHMSA-N 2 1 336.545 3.087 20 0 EGADMP C[NH+](CCSC(C)(C)C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711805892 1298262300 /nfs/dbraw/zinc/26/23/00/1298262300.db2.gz XNZXREMYZNUHGX-LJQANCHMSA-N 2 1 336.545 3.087 20 0 EGADMP C[NH+](CCSC(C)(C)C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000711805892 1298262309 /nfs/dbraw/zinc/26/23/09/1298262309.db2.gz XNZXREMYZNUHGX-LJQANCHMSA-N 2 1 336.545 3.087 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)C[NH2+]C(C)(C)C)CCCCC1 ZINC000714230886 1298273116 /nfs/dbraw/zinc/27/31/16/1298273116.db2.gz KXWBZQQOKUDKAJ-UHFFFAOYSA-N 2 1 345.531 3.326 20 0 EGADMP [NH3+]CCCCCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715050779 1298276899 /nfs/dbraw/zinc/27/68/99/1298276899.db2.gz LGBUEPAFXHGJEU-UXHICEINSA-N 2 1 343.515 3.019 20 0 EGADMP COc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715512788 1298280513 /nfs/dbraw/zinc/28/05/13/1298280513.db2.gz PDCGZRJUFXMBBB-HUUCEWRRSA-N 2 1 341.293 3.420 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000717579802 1298303909 /nfs/dbraw/zinc/30/39/09/1298303909.db2.gz PISHEHFXXBELHV-NRFANRHFSA-N 3 1 329.532 3.220 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000717579802 1298303924 /nfs/dbraw/zinc/30/39/24/1298303924.db2.gz PISHEHFXXBELHV-NRFANRHFSA-N 2 1 329.532 3.220 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000717579802 1298303938 /nfs/dbraw/zinc/30/39/38/1298303938.db2.gz PISHEHFXXBELHV-NRFANRHFSA-N 2 1 329.532 3.220 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720814063 1298329183 /nfs/dbraw/zinc/32/91/83/1298329183.db2.gz DLQKXGFFFMTJFI-SDZDHKAXSA-N 2 1 328.500 3.444 20 0 EGADMP CC[N@H+](CCC1CC[NH+](Cc2ccc(Cl)nn2)CC1)CC1CC1 ZINC000876877960 1299048512 /nfs/dbraw/zinc/04/85/12/1299048512.db2.gz MLJQKMUIJQORDE-UHFFFAOYSA-N 2 1 336.911 3.464 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(Cl)nn2)CC1)CC1CC1 ZINC000876877960 1299048523 /nfs/dbraw/zinc/04/85/23/1299048523.db2.gz MLJQKMUIJQORDE-UHFFFAOYSA-N 2 1 336.911 3.464 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCCCCC[NH+](C)C)C[C@H]1C ZINC000748961879 1299117250 /nfs/dbraw/zinc/11/72/50/1299117250.db2.gz XOXSYLNZLIMRAK-QZTJIDSGSA-N 2 1 340.556 3.013 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000877524640 1299367909 /nfs/dbraw/zinc/36/79/09/1299367909.db2.gz AAGWROYKLYFXRA-INIZCTEOSA-N 2 1 339.524 3.001 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(OC(F)F)cc1F ZINC000877528125 1299370486 /nfs/dbraw/zinc/37/04/86/1299370486.db2.gz TVVNZICFSKHLES-UHFFFAOYSA-N 2 1 327.350 3.454 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(OC(F)F)cc1F ZINC000877528125 1299370495 /nfs/dbraw/zinc/37/04/95/1299370495.db2.gz TVVNZICFSKHLES-UHFFFAOYSA-N 2 1 327.350 3.454 20 0 EGADMP C[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)[C@H]1CCCO1 ZINC000753724975 1300010827 /nfs/dbraw/zinc/01/08/27/1300010827.db2.gz LZUXXCSYENNWKW-OXQOHEQNSA-N 2 1 331.504 3.444 20 0 EGADMP C=C/C=C\CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000878607799 1300104339 /nfs/dbraw/zinc/10/43/39/1300104339.db2.gz ZATIIOLBNZGACK-VKUXZERMSA-N 2 1 325.500 3.011 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000879219902 1300432949 /nfs/dbraw/zinc/43/29/49/1300432949.db2.gz AEPAXQZFYIOJEC-CALCHBBNSA-N 2 1 348.491 3.055 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000879219902 1300432954 /nfs/dbraw/zinc/43/29/54/1300432954.db2.gz AEPAXQZFYIOJEC-CALCHBBNSA-N 2 1 348.491 3.055 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474702 1301137999 /nfs/dbraw/zinc/13/79/99/1301137999.db2.gz KSYLDKYKNRPZAP-UHFFFAOYSA-N 2 1 333.451 3.023 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2N)[C@H](C)C1 ZINC000883003582 1302200927 /nfs/dbraw/zinc/20/09/27/1302200927.db2.gz WLGRPEWEMSJWSW-RHSMWYFYSA-N 2 1 339.911 3.149 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2N)[C@H](C)C1 ZINC000883003582 1302200937 /nfs/dbraw/zinc/20/09/37/1302200937.db2.gz WLGRPEWEMSJWSW-RHSMWYFYSA-N 2 1 339.911 3.149 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Br)cc2F)[C@H](C)C1 ZINC000765872082 1302343999 /nfs/dbraw/zinc/34/39/99/1302343999.db2.gz UPEDCDHGCMGOFV-WBMJQRKESA-N 2 1 343.284 3.451 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1N(C)C ZINC000765975790 1302360741 /nfs/dbraw/zinc/36/07/41/1302360741.db2.gz KDOVNNXJHLVKTI-YJBOKZPZSA-N 2 1 349.494 3.186 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1N(C)C ZINC000765975787 1302362091 /nfs/dbraw/zinc/36/20/91/1302362091.db2.gz KDOVNNXJHLVKTI-CRAIPNDOSA-N 2 1 349.494 3.186 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(Cn2ccc(-c3nccs3)n2)CC1 ZINC000766093101 1302389204 /nfs/dbraw/zinc/38/92/04/1302389204.db2.gz OGZGRDKQJCDAFR-UHFFFAOYSA-N 2 1 347.532 3.408 20 0 EGADMP CCCC[N@H+](C)CC1CC[NH+](Cn2ccc(-c3nccs3)n2)CC1 ZINC000766093101 1302389215 /nfs/dbraw/zinc/38/92/15/1302389215.db2.gz OGZGRDKQJCDAFR-UHFFFAOYSA-N 2 1 347.532 3.408 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cn2ccc(-c3nccs3)n2)CC1 ZINC000766093101 1302389230 /nfs/dbraw/zinc/38/92/30/1302389230.db2.gz OGZGRDKQJCDAFR-UHFFFAOYSA-N 2 1 347.532 3.408 20 0 EGADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(C)(C)C1CCCCC1 ZINC000766369221 1302439108 /nfs/dbraw/zinc/43/91/08/1302439108.db2.gz WHOQZLOQKVTCCN-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCC[C@H](C3CCOCC3)C2)cc1 ZINC000883461834 1302452761 /nfs/dbraw/zinc/45/27/61/1302452761.db2.gz DYMQQHJDBYDERT-VQTJNVASSA-N 2 1 346.515 3.266 20 0 EGADMP c1ccc2c(c1)C[N@@H+](Cc1cccc3c1CC[NH2+]C3)C[C@@H]1CCCN21 ZINC000883462714 1302453415 /nfs/dbraw/zinc/45/34/15/1302453415.db2.gz YBJJZMZYZGOUPA-FQEVSTJZSA-N 2 1 333.479 3.317 20 0 EGADMP Cc1cc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c(C)o1 ZINC000767364290 1302652219 /nfs/dbraw/zinc/65/22/19/1302652219.db2.gz ZHBOFXGLYYZJMP-OAQYLSRUSA-N 2 1 341.499 3.365 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]([NH3+])CC2CC2)c1 ZINC000884193552 1302768761 /nfs/dbraw/zinc/76/87/61/1302768761.db2.gz IPOGPONIWZCGKL-QGZVFWFLSA-N 2 1 326.444 3.121 20 0 EGADMP C[NH2+][C@@H](CC(C)C)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000884329059 1302815159 /nfs/dbraw/zinc/81/51/59/1302815159.db2.gz FPOSNJGMCMDOFH-HOJAQTOUSA-N 2 1 345.531 3.037 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000768919807 1303011689 /nfs/dbraw/zinc/01/16/89/1303011689.db2.gz HDEBRTMBWYOCSX-KRWDZBQOSA-N 2 1 339.524 3.192 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000768919807 1303011691 /nfs/dbraw/zinc/01/16/91/1303011691.db2.gz HDEBRTMBWYOCSX-KRWDZBQOSA-N 2 1 339.524 3.192 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769503810 1303128865 /nfs/dbraw/zinc/12/88/65/1303128865.db2.gz NDCQKAVDEZZAML-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769503810 1303128868 /nfs/dbraw/zinc/12/88/68/1303128868.db2.gz NDCQKAVDEZZAML-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP COc1cccc(COc2ccc(C[NH2+]C3CC[NH+](C)CC3)cc2)c1 ZINC000885903181 1303270457 /nfs/dbraw/zinc/27/04/57/1303270457.db2.gz JQSUDAADCXQABC-UHFFFAOYSA-N 2 1 340.467 3.458 20 0 EGADMP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000886640320 1303535480 /nfs/dbraw/zinc/53/54/80/1303535480.db2.gz WPBIUNMHYWINFH-QNGMFEMESA-N 3 1 333.564 3.495 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000886871963 1303621515 /nfs/dbraw/zinc/62/15/15/1303621515.db2.gz GHBUCFJIZWVHBJ-HXUWFJFHSA-N 2 1 326.440 3.067 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000886871963 1303621517 /nfs/dbraw/zinc/62/15/17/1303621517.db2.gz GHBUCFJIZWVHBJ-HXUWFJFHSA-N 2 1 326.440 3.067 20 0 EGADMP C[NH+](C)[C@@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000774981249 1303885298 /nfs/dbraw/zinc/88/52/98/1303885298.db2.gz XZBZTNAWWBXMBF-INIZCTEOSA-N 2 1 327.513 3.001 20 0 EGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)([NH+](C)C)C1 ZINC000775374836 1303948579 /nfs/dbraw/zinc/94/85/79/1303948579.db2.gz FIIGBXUHMZGWOI-MTSZKFMLSA-N 2 1 328.591 3.466 20 0 EGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)([NH+](C)C)C1 ZINC000775374834 1303948681 /nfs/dbraw/zinc/94/86/81/1303948681.db2.gz FIIGBXUHMZGWOI-HHARLNAUSA-N 2 1 328.591 3.466 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000775909265 1304059945 /nfs/dbraw/zinc/05/99/45/1304059945.db2.gz QPBVQYQDRJPPMK-UHFFFAOYSA-N 2 1 343.515 3.148 20 0 EGADMP Cc1cc(C)[nH+]c(N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000777255910 1304275870 /nfs/dbraw/zinc/27/58/70/1304275870.db2.gz JPTYRYZFMWLCBC-PKOBYXMFSA-N 2 1 325.456 3.400 20 0 EGADMP Cc1cc(C)[nH+]c(N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000777255910 1304275876 /nfs/dbraw/zinc/27/58/76/1304275876.db2.gz JPTYRYZFMWLCBC-PKOBYXMFSA-N 2 1 325.456 3.400 20 0 EGADMP C[C@H]1C[C@H](Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC[N@H+]1C ZINC000777697660 1304336186 /nfs/dbraw/zinc/33/61/86/1304336186.db2.gz YNPFKBFULLVSOC-FXAWDEMLSA-N 2 1 344.547 3.359 20 0 EGADMP C[C@H]1C[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CC[N@@H+]1C ZINC000777697660 1304336193 /nfs/dbraw/zinc/33/61/93/1304336193.db2.gz YNPFKBFULLVSOC-FXAWDEMLSA-N 3 1 344.547 3.359 20 0 EGADMP C[C@H]1C[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CC[N@H+]1C ZINC000777697660 1304336200 /nfs/dbraw/zinc/33/62/00/1304336200.db2.gz YNPFKBFULLVSOC-FXAWDEMLSA-N 3 1 344.547 3.359 20 0 EGADMP CCCCC[C@](C)(CC)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000780690285 1304725546 /nfs/dbraw/zinc/72/55/46/1304725546.db2.gz IZHMNAYEUJQZEJ-FQEVSTJZSA-N 2 1 339.568 3.467 20 0 EGADMP CCCCC[C@](C)(CC)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000780690285 1304725550 /nfs/dbraw/zinc/72/55/50/1304725550.db2.gz IZHMNAYEUJQZEJ-FQEVSTJZSA-N 2 1 339.568 3.467 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccco1 ZINC000781421371 1304825465 /nfs/dbraw/zinc/82/54/65/1304825465.db2.gz QDDWNPNKHYJOCT-VNTMZGSJSA-N 2 1 340.467 3.203 20 0 EGADMP CN(Cc1ccnc(N(C)C)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000782174493 1304924836 /nfs/dbraw/zinc/92/48/36/1304924836.db2.gz GWVPIOTZVMKHQK-FQEVSTJZSA-N 2 1 338.499 3.102 20 0 EGADMP CN(C)c1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccn1 ZINC000782174493 1304924841 /nfs/dbraw/zinc/92/48/41/1304924841.db2.gz GWVPIOTZVMKHQK-FQEVSTJZSA-N 2 1 338.499 3.102 20 0 EGADMP CN(C)c1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccn1 ZINC000782174493 1304924847 /nfs/dbraw/zinc/92/48/47/1304924847.db2.gz GWVPIOTZVMKHQK-FQEVSTJZSA-N 2 1 338.499 3.102 20 0 EGADMP CN(C)c1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000782174493 1304924852 /nfs/dbraw/zinc/92/48/52/1304924852.db2.gz GWVPIOTZVMKHQK-FQEVSTJZSA-N 2 1 338.499 3.102 20 0 EGADMP CN(C)c1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000782174493 1304924856 /nfs/dbraw/zinc/92/48/56/1304924856.db2.gz GWVPIOTZVMKHQK-FQEVSTJZSA-N 2 1 338.499 3.102 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000785434049 1305351878 /nfs/dbraw/zinc/35/18/78/1305351878.db2.gz OJJBLMBVLVVSGN-OXJNMPFZSA-N 2 1 342.487 3.088 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC1CC[NH+](C)CC1 ZINC000893103173 1305707720 /nfs/dbraw/zinc/70/77/20/1305707720.db2.gz MCPIAJVKXRCUMW-ROUUACIJSA-N 2 1 329.532 3.074 20 0 EGADMP C[C@H]([NH2+]Cc1cnn(C)c1C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000893413553 1305881921 /nfs/dbraw/zinc/88/19/21/1305881921.db2.gz WKALUMMRVMKMAG-LPHOPBHVSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@H]([NH2+]Cc1cnn(C)c1C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000893413555 1305883204 /nfs/dbraw/zinc/88/32/04/1305883204.db2.gz WKALUMMRVMKMAG-QFBILLFUSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000788586643 1305975212 /nfs/dbraw/zinc/97/52/12/1305975212.db2.gz FDVWHOCNSLSHDY-FUHWJXTLSA-N 2 1 325.456 3.002 20 0 EGADMP CC(C)(C[NH2+]Cc1cnc(CC(F)(F)F)s1)C[NH+]1CCCC1 ZINC000893998494 1306170259 /nfs/dbraw/zinc/17/02/59/1306170259.db2.gz GABFTANXUFWASP-UHFFFAOYSA-N 2 1 335.439 3.460 20 0 EGADMP CC[N@@H+](Cc1cn(C)nc1C1CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000894455262 1308899946 /nfs/dbraw/zinc/89/99/46/1308899946.db2.gz BMYDSGMYFHILHI-UHFFFAOYSA-N 2 1 326.488 3.381 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]CCO[C@H]3CCCCO3)CC[N@@H+]2C2CC2)cc1 ZINC000894794331 1309073616 /nfs/dbraw/zinc/07/36/16/1309073616.db2.gz OEFPJRLANYQZRV-GIVPXCGWSA-N 2 1 344.499 3.487 20 0 EGADMP c1ccc([C@@H]2C[C@H]([NH2+]CCO[C@H]3CCCCO3)CC[N@H+]2C2CC2)cc1 ZINC000894794331 1309073627 /nfs/dbraw/zinc/07/36/27/1309073627.db2.gz OEFPJRLANYQZRV-GIVPXCGWSA-N 2 1 344.499 3.487 20 0 EGADMP COc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)ccc1OCC(F)(F)F ZINC000895297435 1309274970 /nfs/dbraw/zinc/27/49/70/1309274970.db2.gz LZNWLDBXZPBHOE-GFCCVEGCSA-N 2 1 334.382 3.066 20 0 EGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H](F)CC2CCCCC2)CC1 ZINC000793161650 1309307236 /nfs/dbraw/zinc/30/72/36/1309307236.db2.gz GMCDQMSHMLYLDY-MRXNPFEDSA-N 2 1 348.466 3.080 20 0 EGADMP CC1([NH+]2CCC2)CCC(Nc2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000896254919 1309771771 /nfs/dbraw/zinc/77/17/71/1309771771.db2.gz LEIMBPCGLJVMAD-UHFFFAOYSA-N 2 1 329.492 3.286 20 0 EGADMP c1cncc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CCC2)c1 ZINC000795794594 1309836099 /nfs/dbraw/zinc/83/60/99/1309836099.db2.gz JWSRIKRKIRXTKS-VQTJNVASSA-N 2 1 329.488 3.156 20 0 EGADMP Fc1ccc(/C=C/C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1F ZINC000796305710 1309960530 /nfs/dbraw/zinc/96/05/30/1309960530.db2.gz RPGHOZPMHFMAMX-DUXHTMCSSA-N 2 1 336.426 3.211 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000799014251 1310469063 /nfs/dbraw/zinc/46/90/63/1310469063.db2.gz FGXAAXNIKLNBGR-UTKZUKDTSA-N 2 1 345.531 3.182 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CCO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000898170629 1310610865 /nfs/dbraw/zinc/61/08/65/1310610865.db2.gz JBVDZAVGEXWFEP-GCJKJVERSA-N 2 1 338.495 3.364 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CCO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000898170629 1310610870 /nfs/dbraw/zinc/61/08/70/1310610870.db2.gz JBVDZAVGEXWFEP-GCJKJVERSA-N 2 1 338.495 3.364 20 0 EGADMP C[N@@H+](CCN1CC[NH+](CCSC(C)(C)C)CC1)Cc1ccccc1 ZINC000801919529 1316966041 /nfs/dbraw/zinc/96/60/41/1316966041.db2.gz JSCDKKBNIMCYMD-UHFFFAOYSA-N 2 1 349.588 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001019452385 1317251127 /nfs/dbraw/zinc/25/11/27/1317251127.db2.gz GGCHTSJXXLTCDV-ABHNRTSZSA-N 2 1 346.519 3.023 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)ccc2NC)[C@H](C)C1 ZINC000902245361 1317551671 /nfs/dbraw/zinc/55/16/71/1317551671.db2.gz QCKBUKBHOVHULV-IEBWSBKVSA-N 2 1 333.520 3.263 20 0 EGADMP CC(C)(O)C[N@H+]1CCc2c(cccc2N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902373249 1317569565 /nfs/dbraw/zinc/56/95/65/1317569565.db2.gz BOTPWNPLCMEOGD-KRWDZBQOSA-N 2 1 345.531 3.006 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902437214 1317578603 /nfs/dbraw/zinc/57/86/03/1317578603.db2.gz HGSULALSFOKJNB-FBEWHJACSA-N 2 1 335.495 3.111 20 0 EGADMP CC[C@H](C(=O)N1CCC(C[N@@H+](CC)Cc2ccccc2)CC1)[NH+](C)C ZINC000957726797 1317593862 /nfs/dbraw/zinc/59/38/62/1317593862.db2.gz YXUNMEPARGJFOK-HXUWFJFHSA-N 2 1 345.531 3.087 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001020214564 1317596464 /nfs/dbraw/zinc/59/64/64/1317596464.db2.gz XBTHJRUZOUJWEE-FHWLQOOXSA-N 2 1 347.547 3.068 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001020239871 1317605412 /nfs/dbraw/zinc/60/54/12/1317605412.db2.gz KXKLGUZBZVOGGS-QWFCFKBJSA-N 2 1 347.547 3.211 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC(C[NH+](CC)CC3CC3)CC2)C1 ZINC000957744832 1317610581 /nfs/dbraw/zinc/61/05/81/1317610581.db2.gz QKEQQLWHZUQKLH-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC(C[N@H+](CC)CC3CC3)CC2)C1 ZINC000957744832 1317610589 /nfs/dbraw/zinc/61/05/89/1317610589.db2.gz QKEQQLWHZUQKLH-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC(C[N@@H+](CC)CC3CC3)CC2)C1 ZINC000957744832 1317610595 /nfs/dbraw/zinc/61/05/95/1317610595.db2.gz QKEQQLWHZUQKLH-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001020289324 1317628450 /nfs/dbraw/zinc/62/84/50/1317628450.db2.gz XYVYBNYESACPTB-LWYYNNOASA-N 2 1 347.547 3.211 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CN2C(=O)CCC2(C)C)CC1)CC1CC1 ZINC000808174318 1317638893 /nfs/dbraw/zinc/63/88/93/1317638893.db2.gz FSCOKQZXIFIGFZ-UHFFFAOYSA-N 2 1 335.536 3.179 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[NH+](CCCC2CCC2)CC1)[NH+]1CCCCC1 ZINC000957786474 1317644498 /nfs/dbraw/zinc/64/44/98/1317644498.db2.gz WDKUANZOQARWEB-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001020340237 1317651542 /nfs/dbraw/zinc/65/15/42/1317651542.db2.gz LLRYKGMHTXNRPN-VAMGGRTRSA-N 2 1 349.563 3.314 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903098879 1317651699 /nfs/dbraw/zinc/65/16/99/1317651699.db2.gz UYMUNJMDOGHJQB-VCWGRIPDSA-N 2 1 339.527 3.398 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)cc1 ZINC000903098879 1317651705 /nfs/dbraw/zinc/65/17/05/1317651705.db2.gz UYMUNJMDOGHJQB-VCWGRIPDSA-N 2 1 339.527 3.398 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)cc1 ZINC000903098879 1317651713 /nfs/dbraw/zinc/65/17/13/1317651713.db2.gz UYMUNJMDOGHJQB-VCWGRIPDSA-N 2 1 339.527 3.398 20 0 EGADMP c1ccc(CN2CCC[C@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903098879 1317651718 /nfs/dbraw/zinc/65/17/18/1317651718.db2.gz UYMUNJMDOGHJQB-VCWGRIPDSA-N 2 1 339.527 3.398 20 0 EGADMP c1ccc(CN2CCC[C@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903098879 1317651722 /nfs/dbraw/zinc/65/17/22/1317651722.db2.gz UYMUNJMDOGHJQB-VCWGRIPDSA-N 2 1 339.527 3.398 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C1CC(c3cccc(F)c3)C1)C2 ZINC000903119365 1317657077 /nfs/dbraw/zinc/65/70/77/1317657077.db2.gz ZIAJUAGJBJWKKS-ZWCODDFTSA-N 2 1 346.490 3.141 20 0 EGADMP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000903119091 1317657293 /nfs/dbraw/zinc/65/72/93/1317657293.db2.gz QVCXLICVNFOTEF-MYGYKHERSA-N 2 1 330.516 3.434 20 0 EGADMP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000903119095 1317657482 /nfs/dbraw/zinc/65/74/82/1317657482.db2.gz QVCXLICVNFOTEF-YNWKUBOOSA-N 2 1 330.516 3.434 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc([S@@](C)=O)cc1 ZINC000903127956 1317659525 /nfs/dbraw/zinc/65/95/25/1317659525.db2.gz PBQIYELDWJSUPQ-ZVQYLBPPSA-N 2 1 332.513 3.232 20 0 EGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2COc3ccccc3[C@H]2O)CC1 ZINC000808728805 1317723971 /nfs/dbraw/zinc/72/39/71/1317723971.db2.gz GPKPBFUQOAHSOT-PXDUREFJSA-N 2 1 344.499 3.114 20 0 EGADMP CC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C)c1cccc(OC)c1 ZINC000903723099 1317724225 /nfs/dbraw/zinc/72/42/25/1317724225.db2.gz SWDIKXSWYDPZMG-VQIMIIECSA-N 2 1 332.488 3.237 20 0 EGADMP Clc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903727970 1317725641 /nfs/dbraw/zinc/72/56/41/1317725641.db2.gz ZZPICNGQUUYJLO-YQVWRLOYSA-N 2 1 334.891 3.116 20 0 EGADMP Fc1ccc(C[N@@H+](CC2CC2)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903729698 1317727634 /nfs/dbraw/zinc/72/76/34/1317727634.db2.gz QSDBPKPUTCKKPR-LJQANCHMSA-N 2 1 332.463 3.196 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1c1ccccc1 ZINC000903782000 1317733166 /nfs/dbraw/zinc/73/31/66/1317733166.db2.gz CUFRRQAMBLYQAI-HOJAQTOUSA-N 2 1 328.500 3.271 20 0 EGADMP C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903786206 1317734316 /nfs/dbraw/zinc/73/43/16/1317734316.db2.gz GFSMSRLTOXWFEB-YZGWKJHDSA-N 2 1 328.500 3.413 20 0 EGADMP [NH3+][C@@H](C[NH2+]C1(c2cccc(Br)c2)CCC1)CC(F)F ZINC000903898126 1317745211 /nfs/dbraw/zinc/74/52/11/1317745211.db2.gz JJIYMAXWMFUOPH-GFCCVEGCSA-N 2 1 333.220 3.400 20 0 EGADMP Cc1ccc([C@H](C)[N@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000903880272 1317740800 /nfs/dbraw/zinc/74/08/00/1317740800.db2.gz OZUAYFZNWOCETG-IRXDYDNUSA-N 2 1 327.476 3.012 20 0 EGADMP Cc1ccc([C@H](C)[N@@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000903880272 1317740805 /nfs/dbraw/zinc/74/08/05/1317740805.db2.gz OZUAYFZNWOCETG-IRXDYDNUSA-N 2 1 327.476 3.012 20 0 EGADMP OC[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000903906181 1317746060 /nfs/dbraw/zinc/74/60/60/1317746060.db2.gz UBKIHNOCUYYXFU-JOCHJYFZSA-N 2 1 336.479 3.105 20 0 EGADMP Fc1ccc(Cn2cc(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000903959291 1317756700 /nfs/dbraw/zinc/75/67/00/1317756700.db2.gz DVYWPGGQUJJXAN-HXUWFJFHSA-N 2 1 342.462 3.036 20 0 EGADMP Fc1ccc(Cn2cc(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000903959291 1317756707 /nfs/dbraw/zinc/75/67/07/1317756707.db2.gz DVYWPGGQUJJXAN-HXUWFJFHSA-N 2 1 342.462 3.036 20 0 EGADMP C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000903970094 1317758848 /nfs/dbraw/zinc/75/88/48/1317758848.db2.gz QDIVOTNEOVLSAT-AABGKKOBSA-N 2 1 328.500 3.245 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1-c1noc([C@@H]([NH3+])CC2CC2)n1 ZINC000904100374 1317789941 /nfs/dbraw/zinc/78/99/41/1317789941.db2.gz DEGLTTHZDAZPRV-INIZCTEOSA-N 2 1 344.459 3.257 20 0 EGADMP CCCOc1c(Cl)cc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1OC ZINC000904410001 1317844099 /nfs/dbraw/zinc/84/40/99/1317844099.db2.gz LKGLEVCALVSLRR-ZDUSSCGKSA-N 2 1 326.868 3.308 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001020675867 1317852933 /nfs/dbraw/zinc/85/29/33/1317852933.db2.gz IODDPIUMNCEKFW-FHWLQOOXSA-N 2 1 335.536 3.066 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809764735 1317894313 /nfs/dbraw/zinc/89/43/13/1317894313.db2.gz HLTWGRPRCYHJAW-HZPDHXFCSA-N 2 1 341.540 3.294 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809764735 1317894319 /nfs/dbraw/zinc/89/43/19/1317894319.db2.gz HLTWGRPRCYHJAW-HZPDHXFCSA-N 2 1 341.540 3.294 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809764735 1317894325 /nfs/dbraw/zinc/89/43/25/1317894325.db2.gz HLTWGRPRCYHJAW-HZPDHXFCSA-N 2 1 341.540 3.294 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809764735 1317894329 /nfs/dbraw/zinc/89/43/29/1317894329.db2.gz HLTWGRPRCYHJAW-HZPDHXFCSA-N 2 1 341.540 3.294 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001021094733 1318079474 /nfs/dbraw/zinc/07/94/74/1318079474.db2.gz ZWXXLVWYQHCWKG-AFYVEPGGSA-N 2 1 343.515 3.167 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001021093098 1318080419 /nfs/dbraw/zinc/08/04/19/1318080419.db2.gz ZSRYLULUNJPMMG-FHWLQOOXSA-N 2 1 347.547 3.068 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001021274409 1318167432 /nfs/dbraw/zinc/16/74/32/1318167432.db2.gz WTUQYMCQVQBYKX-XVLXNVKGSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001021274409 1318167437 /nfs/dbraw/zinc/16/74/37/1318167437.db2.gz WTUQYMCQVQBYKX-XVLXNVKGSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001021274409 1318167444 /nfs/dbraw/zinc/16/74/44/1318167444.db2.gz WTUQYMCQVQBYKX-XVLXNVKGSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+]1CCC(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)CC1 ZINC001021401891 1318233822 /nfs/dbraw/zinc/23/38/22/1318233822.db2.gz ZCQOYOXANBNDTK-YQQQUEKLSA-N 2 1 349.563 3.266 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811744112 1318249936 /nfs/dbraw/zinc/24/99/36/1318249936.db2.gz WKWSIIMPJJILDT-LJQANCHMSA-N 2 1 343.515 3.175 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811744112 1318249941 /nfs/dbraw/zinc/24/99/41/1318249941.db2.gz WKWSIIMPJJILDT-LJQANCHMSA-N 2 1 343.515 3.175 20 0 EGADMP CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000960014758 1318312567 /nfs/dbraw/zinc/31/25/67/1318312567.db2.gz YWSXACXQZMZOHK-MJGOQNOKSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000960088028 1318346706 /nfs/dbraw/zinc/34/67/06/1318346706.db2.gz TXADNSVWOWZGPY-CMKODMSKSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000858490758 1328776952 /nfs/dbraw/zinc/77/69/52/1328776952.db2.gz NMOMSJKDAJWZLL-CVEARBPZSA-N 2 1 331.460 3.026 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491370 1328777794 /nfs/dbraw/zinc/77/77/94/1328777794.db2.gz GHVKAGCBZICMHD-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC001021906895 1318727715 /nfs/dbraw/zinc/72/77/15/1318727715.db2.gz ZZLRKAQZRXEJFE-QCRHNUIXSA-N 2 1 349.563 3.170 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1 ZINC000960639414 1318759761 /nfs/dbraw/zinc/75/97/61/1318759761.db2.gz BOSIFTCGDLTOSG-AEFFLSMTSA-N 2 1 346.519 3.120 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC000960639414 1318759769 /nfs/dbraw/zinc/75/97/69/1318759769.db2.gz BOSIFTCGDLTOSG-AEFFLSMTSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)COC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814640249 1318790464 /nfs/dbraw/zinc/79/04/64/1318790464.db2.gz YKCJDCDUBMTGMC-UHFFFAOYSA-N 2 1 344.499 3.174 20 0 EGADMP CC(C)COC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814640249 1318790473 /nfs/dbraw/zinc/79/04/73/1318790473.db2.gz YKCJDCDUBMTGMC-UHFFFAOYSA-N 2 1 344.499 3.174 20 0 EGADMP CCCOC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814639835 1318791492 /nfs/dbraw/zinc/79/14/92/1318791492.db2.gz GOYDFCSDXNRAEW-SFHVURJKSA-N 2 1 344.499 3.316 20 0 EGADMP CCCOC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814639835 1318791500 /nfs/dbraw/zinc/79/15/00/1318791500.db2.gz GOYDFCSDXNRAEW-SFHVURJKSA-N 2 1 344.499 3.316 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001022077016 1318792703 /nfs/dbraw/zinc/79/27/03/1318792703.db2.gz HSKFJPXMEQBNMV-HAGHYFMRSA-N 2 1 347.547 3.068 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1)CC1CCCCCC1 ZINC000960840609 1318974565 /nfs/dbraw/zinc/97/45/65/1318974565.db2.gz YEHXADNGIPHUPC-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP COC1([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)CCCCC1 ZINC000817575189 1319400404 /nfs/dbraw/zinc/40/04/04/1319400404.db2.gz GBQURMMDMLXLDE-OAHLLOKOSA-N 2 1 328.460 3.403 20 0 EGADMP CCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961256097 1319403986 /nfs/dbraw/zinc/40/39/86/1319403986.db2.gz HJHDNBSWKWTUDR-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001023274429 1319407000 /nfs/dbraw/zinc/40/70/00/1319407000.db2.gz ZJHLCPBPCMVHSR-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001023274429 1319407006 /nfs/dbraw/zinc/40/70/06/1319407006.db2.gz ZJHLCPBPCMVHSR-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001023274429 1319407010 /nfs/dbraw/zinc/40/70/10/1319407010.db2.gz ZJHLCPBPCMVHSR-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)Oc1cccc([C@H](O)C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000817895347 1319452946 /nfs/dbraw/zinc/45/29/46/1319452946.db2.gz UBUMLXIXPZQQAS-SLFFLAALSA-N 2 1 326.440 3.242 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3COC4(CCCCC4)O3)CC[NH2+]2)cc1 ZINC000817919779 1319460607 /nfs/dbraw/zinc/46/06/07/1319460607.db2.gz YDMWCRYXROWIFL-FHWLQOOXSA-N 2 1 330.472 3.145 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2Br)c2ccccc21 ZINC000817936282 1319464319 /nfs/dbraw/zinc/46/43/19/1319464319.db2.gz RJPRNUDRSBGQQR-BRWVUGGUSA-N 2 1 347.256 3.217 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001023365126 1319477022 /nfs/dbraw/zinc/47/70/22/1319477022.db2.gz XOSHJQNUUUQCSU-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023365126 1319477031 /nfs/dbraw/zinc/47/70/31/1319477031.db2.gz XOSHJQNUUUQCSU-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001023365126 1319477037 /nfs/dbraw/zinc/47/70/37/1319477037.db2.gz XOSHJQNUUUQCSU-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023396501 1319502672 /nfs/dbraw/zinc/50/26/72/1319502672.db2.gz RTACGTWXTKIVFQ-INIZCTEOSA-N 2 1 349.544 3.218 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001023402155 1319509128 /nfs/dbraw/zinc/50/91/28/1319509128.db2.gz HDSPEJWPUFCOBZ-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001023402155 1319509136 /nfs/dbraw/zinc/50/91/36/1319509136.db2.gz HDSPEJWPUFCOBZ-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001023402155 1319509147 /nfs/dbraw/zinc/50/91/47/1319509147.db2.gz HDSPEJWPUFCOBZ-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC000961377799 1319534708 /nfs/dbraw/zinc/53/47/08/1319534708.db2.gz ZYZJPKLBFNKLGI-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000961377799 1319534712 /nfs/dbraw/zinc/53/47/12/1319534712.db2.gz ZYZJPKLBFNKLGI-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000961377799 1319534724 /nfs/dbraw/zinc/53/47/24/1319534724.db2.gz ZYZJPKLBFNKLGI-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC000961381974 1319538489 /nfs/dbraw/zinc/53/84/89/1319538489.db2.gz DSRYDQIEPQLEHY-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC000961381974 1319538498 /nfs/dbraw/zinc/53/84/98/1319538498.db2.gz DSRYDQIEPQLEHY-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC000961381974 1319538503 /nfs/dbraw/zinc/53/85/03/1319538503.db2.gz DSRYDQIEPQLEHY-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001023446478 1319545517 /nfs/dbraw/zinc/54/55/17/1319545517.db2.gz QJLVKZXHUKBISO-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001023446478 1319545527 /nfs/dbraw/zinc/54/55/27/1319545527.db2.gz QJLVKZXHUKBISO-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001023446478 1319545535 /nfs/dbraw/zinc/54/55/35/1319545535.db2.gz QJLVKZXHUKBISO-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000961410822 1319566443 /nfs/dbraw/zinc/56/64/43/1319566443.db2.gz JKQAAMZLNIDDTG-QUCCMNQESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000961410822 1319566449 /nfs/dbraw/zinc/56/64/49/1319566449.db2.gz JKQAAMZLNIDDTG-QUCCMNQESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000961410822 1319566457 /nfs/dbraw/zinc/56/64/57/1319566457.db2.gz JKQAAMZLNIDDTG-QUCCMNQESA-N 2 1 349.563 3.077 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000818967798 1319595558 /nfs/dbraw/zinc/59/55/58/1319595558.db2.gz BZHCHCGQVTYUSC-HNNXBMFYSA-N 2 1 328.243 3.212 20 0 EGADMP CCCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000819042796 1319620996 /nfs/dbraw/zinc/62/09/96/1319620996.db2.gz MBSHVWBDKDKAAZ-QGZVFWFLSA-N 2 1 328.859 3.367 20 0 EGADMP OC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC000819330189 1319700203 /nfs/dbraw/zinc/70/02/03/1319700203.db2.gz ZXIZSZIPZIITIP-IHWFROFDSA-N 2 1 328.500 3.467 20 0 EGADMP C[N@@H+](CCCC[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000819363109 1319710173 /nfs/dbraw/zinc/71/01/73/1319710173.db2.gz UBCZLOQSFRNSFA-MRXNPFEDSA-N 2 1 330.394 3.203 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1)C(C)C ZINC000827329483 1320444663 /nfs/dbraw/zinc/44/46/63/1320444663.db2.gz GWBVZADQXRWAJN-UXHICEINSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1)C(C)C ZINC000827329483 1320444665 /nfs/dbraw/zinc/44/46/65/1320444665.db2.gz GWBVZADQXRWAJN-UXHICEINSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1)C(C)C ZINC000827329483 1320444669 /nfs/dbraw/zinc/44/46/69/1320444669.db2.gz GWBVZADQXRWAJN-UXHICEINSA-N 2 1 343.515 3.083 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000839180006 1320886505 /nfs/dbraw/zinc/88/65/05/1320886505.db2.gz BPBDBPKEVJJBJO-OAHLLOKOSA-N 2 1 348.491 3.250 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC(=O)CC ZINC000840882387 1321169645 /nfs/dbraw/zinc/16/96/45/1321169645.db2.gz VCOQIXRWYQSIES-SJORKVTESA-N 2 1 346.471 3.117 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC(=O)CC ZINC000840882387 1321169648 /nfs/dbraw/zinc/16/96/48/1321169648.db2.gz VCOQIXRWYQSIES-SJORKVTESA-N 2 1 346.471 3.117 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1C ZINC000859214205 1328948058 /nfs/dbraw/zinc/94/80/58/1328948058.db2.gz FZIWKOVWBWMWPD-UHFFFAOYSA-N 2 1 339.483 3.436 20 0 EGADMP Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1C ZINC000859214205 1328948060 /nfs/dbraw/zinc/94/80/60/1328948060.db2.gz FZIWKOVWBWMWPD-UHFFFAOYSA-N 2 1 339.483 3.436 20 0 EGADMP CCc1cc2oc(=O)cc(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)c2cc1Cl ZINC000842475548 1321393207 /nfs/dbraw/zinc/39/32/07/1321393207.db2.gz SREYMXJPNWAMJU-QGZVFWFLSA-N 2 1 348.874 3.487 20 0 EGADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843355023 1321504950 /nfs/dbraw/zinc/50/49/50/1321504950.db2.gz JHYAMKLAQSXOBW-ODIFPOPNSA-N 2 1 343.471 3.154 20 0 EGADMP C[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C1CCC([NH3+])CC1 ZINC000843355463 1321505515 /nfs/dbraw/zinc/50/55/15/1321505515.db2.gz QNTZPPFWHBWLGN-UHFFFAOYSA-N 2 1 343.393 3.236 20 0 EGADMP CC[C@H](C)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000843368263 1321507546 /nfs/dbraw/zinc/50/75/46/1321507546.db2.gz MUKKEFRAJIYWLR-CBVHJVASSA-N 2 1 329.488 3.198 20 0 EGADMP CC[C@H](C)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000843368263 1321507553 /nfs/dbraw/zinc/50/75/53/1321507553.db2.gz MUKKEFRAJIYWLR-CBVHJVASSA-N 2 1 329.488 3.198 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C[C@H]21 ZINC000843368154 1321508141 /nfs/dbraw/zinc/50/81/41/1321508141.db2.gz KKQDPNUSCIWIHU-HMXCVIKNSA-N 2 1 349.478 3.351 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C[C@H]21 ZINC000843368154 1321508145 /nfs/dbraw/zinc/50/81/45/1321508145.db2.gz KKQDPNUSCIWIHU-HMXCVIKNSA-N 2 1 349.478 3.351 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846224958 1321777228 /nfs/dbraw/zinc/77/72/28/1321777228.db2.gz GJUUKVHCZQAQQO-YWMUFLPLSA-N 2 1 337.467 3.228 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846224958 1321777230 /nfs/dbraw/zinc/77/72/30/1321777230.db2.gz GJUUKVHCZQAQQO-YWMUFLPLSA-N 2 1 337.467 3.228 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])c2cc1C ZINC000846225461 1321778208 /nfs/dbraw/zinc/77/82/08/1321778208.db2.gz BTOACIOSDSPBTP-ACJLOTCBSA-N 2 1 328.456 3.359 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000846859051 1321818179 /nfs/dbraw/zinc/81/81/79/1321818179.db2.gz SCWQVNUHYYMKIG-MAUKXSAKSA-N 2 1 336.439 3.223 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000846859051 1321818184 /nfs/dbraw/zinc/81/81/84/1321818184.db2.gz SCWQVNUHYYMKIG-MAUKXSAKSA-N 2 1 336.439 3.223 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000848888763 1322030699 /nfs/dbraw/zinc/03/06/99/1322030699.db2.gz BJPCEGQEWGFNBU-WIYYLYMNSA-N 2 1 329.532 3.268 20 0 EGADMP C[N@@H+](CCCNC(=[NH2+])Nc1cc(F)ccc1F)Cc1ccccc1 ZINC000849081101 1322069811 /nfs/dbraw/zinc/06/98/11/1322069811.db2.gz HSVFQOSVKFXDLH-UHFFFAOYSA-N 2 1 332.398 3.423 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849084069 1322072087 /nfs/dbraw/zinc/07/20/87/1322072087.db2.gz VYDMZSFZBLUKOI-NSHDSACASA-N 2 1 332.370 3.252 20 0 EGADMP Cc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000849101064 1322078382 /nfs/dbraw/zinc/07/83/82/1322078382.db2.gz HLGHBTRWGZKSEU-HXUWFJFHSA-N 2 1 336.483 3.274 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000921535972 1322343217 /nfs/dbraw/zinc/34/32/17/1322343217.db2.gz MPDYRTSDSFQGQV-KRWDZBQOSA-N 2 1 331.504 3.133 20 0 EGADMP CS[C@@H]1CCC[C@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1 ZINC000921817512 1322404080 /nfs/dbraw/zinc/40/40/80/1322404080.db2.gz KFAHOLPBKIRNOZ-DLBZAZTESA-N 2 1 334.533 3.326 20 0 EGADMP c1nn(CC2CCC2)cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000922075976 1322449599 /nfs/dbraw/zinc/44/95/99/1322449599.db2.gz GLENVFDBFDNZGJ-HXUWFJFHSA-N 2 1 338.499 3.295 20 0 EGADMP c1nn(CC2CCC2)cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000922075976 1322449601 /nfs/dbraw/zinc/44/96/01/1322449601.db2.gz GLENVFDBFDNZGJ-HXUWFJFHSA-N 2 1 338.499 3.295 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000923282308 1322725057 /nfs/dbraw/zinc/72/50/57/1322725057.db2.gz MMCLIKNKQHTCAF-JLJPHGGASA-N 2 1 342.405 3.100 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000923282308 1322725060 /nfs/dbraw/zinc/72/50/60/1322725060.db2.gz MMCLIKNKQHTCAF-JLJPHGGASA-N 2 1 342.405 3.100 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321216 1322733371 /nfs/dbraw/zinc/73/33/71/1322733371.db2.gz AIWLNWVUINCYON-DMEROMKCSA-N 3 1 333.564 3.494 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321216 1322733376 /nfs/dbraw/zinc/73/33/76/1322733376.db2.gz AIWLNWVUINCYON-DMEROMKCSA-N 3 1 333.564 3.494 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321216 1322733378 /nfs/dbraw/zinc/73/33/78/1322733378.db2.gz AIWLNWVUINCYON-DMEROMKCSA-N 3 1 333.564 3.494 20 0 EGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321216 1322733384 /nfs/dbraw/zinc/73/33/84/1322733384.db2.gz AIWLNWVUINCYON-DMEROMKCSA-N 2 1 333.564 3.494 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923321216 1322733388 /nfs/dbraw/zinc/73/33/88/1322733388.db2.gz AIWLNWVUINCYON-DMEROMKCSA-N 2 1 333.564 3.494 20 0 EGADMP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1SC(F)(F)F ZINC000923519530 1322768383 /nfs/dbraw/zinc/76/83/83/1322768383.db2.gz SVIDWOJVLFMLHS-QWHCGFSZSA-N 2 1 346.418 3.348 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1SC(F)(F)F ZINC000923519530 1322768386 /nfs/dbraw/zinc/76/83/86/1322768386.db2.gz SVIDWOJVLFMLHS-QWHCGFSZSA-N 2 1 346.418 3.348 20 0 EGADMP Cc1csc(C[C@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000923552371 1322775877 /nfs/dbraw/zinc/77/58/77/1322775877.db2.gz XDBSBLUJMOSDLX-OAHLLOKOSA-N 2 1 327.497 3.162 20 0 EGADMP CC(C)(C)OC(=O)NCC1CC([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC000924543158 1323048213 /nfs/dbraw/zinc/04/82/13/1323048213.db2.gz XCYCDWGXXBYYBD-UHFFFAOYSA-N 2 1 339.524 3.144 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001024010783 1323078066 /nfs/dbraw/zinc/07/80/66/1323078066.db2.gz XEPQJOZZJPGMHA-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001024019226 1323080817 /nfs/dbraw/zinc/08/08/17/1323080817.db2.gz WQQHWAVZXFBUSA-ICSRJNTNSA-N 2 1 347.547 3.022 20 0 EGADMP CC1(C)OC[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)O1 ZINC000851812388 1323096521 /nfs/dbraw/zinc/09/65/21/1323096521.db2.gz DLOAPWVHBQYRAF-HSALFYBXSA-N 2 1 344.499 3.124 20 0 EGADMP CC1(C)OC[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)O1 ZINC000851812388 1323096526 /nfs/dbraw/zinc/09/65/26/1323096526.db2.gz DLOAPWVHBQYRAF-HSALFYBXSA-N 2 1 344.499 3.124 20 0 EGADMP CC1(C)OC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)O1 ZINC000851812388 1323096529 /nfs/dbraw/zinc/09/65/29/1323096529.db2.gz DLOAPWVHBQYRAF-HSALFYBXSA-N 2 1 344.499 3.124 20 0 EGADMP CC1(C)OC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)O1 ZINC000851812388 1323096535 /nfs/dbraw/zinc/09/65/35/1323096535.db2.gz DLOAPWVHBQYRAF-HSALFYBXSA-N 2 1 344.499 3.124 20 0 EGADMP C[C@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cc(CO)on1 ZINC000924670387 1323104398 /nfs/dbraw/zinc/10/43/98/1323104398.db2.gz ZPGAMIWHCUACQO-CVEARBPZSA-N 2 1 343.471 3.250 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1cnnn1C ZINC000924865455 1323192654 /nfs/dbraw/zinc/19/26/54/1323192654.db2.gz HDHQQWUEPTUFHC-INIZCTEOSA-N 2 1 327.476 3.042 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000924948342 1323225094 /nfs/dbraw/zinc/22/50/94/1323225094.db2.gz CCDMZMQSUXOSCG-FUHIMQAGSA-N 2 1 326.488 3.080 20 0 EGADMP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000924959672 1323228639 /nfs/dbraw/zinc/22/86/39/1323228639.db2.gz LBJBASPFTUWTQU-MDYRTPRTSA-N 2 1 349.494 3.101 20 0 EGADMP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000924959674 1323229228 /nfs/dbraw/zinc/22/92/28/1323229228.db2.gz LBJBASPFTUWTQU-VPWXQRGCSA-N 2 1 349.494 3.101 20 0 EGADMP c1csc(CC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000852762412 1323239114 /nfs/dbraw/zinc/23/91/14/1323239114.db2.gz MRLHWGJKYOXXRN-UHFFFAOYSA-N 2 1 344.528 3.360 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479278 1323433467 /nfs/dbraw/zinc/43/34/67/1323433467.db2.gz DJNGZOUOFUZXIC-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479278 1323433471 /nfs/dbraw/zinc/43/34/71/1323433471.db2.gz DJNGZOUOFUZXIC-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479278 1323433473 /nfs/dbraw/zinc/43/34/73/1323433473.db2.gz DJNGZOUOFUZXIC-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024524452 1323470403 /nfs/dbraw/zinc/47/04/03/1323470403.db2.gz VUYXORBYFZLWML-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001024524452 1323470407 /nfs/dbraw/zinc/47/04/07/1323470407.db2.gz VUYXORBYFZLWML-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001024524452 1323470410 /nfs/dbraw/zinc/47/04/10/1323470410.db2.gz VUYXORBYFZLWML-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024524453 1323472150 /nfs/dbraw/zinc/47/21/50/1323472150.db2.gz VUYXORBYFZLWML-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001024524453 1323472158 /nfs/dbraw/zinc/47/21/58/1323472158.db2.gz VUYXORBYFZLWML-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001024524453 1323472162 /nfs/dbraw/zinc/47/21/62/1323472162.db2.gz VUYXORBYFZLWML-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024535630 1323477436 /nfs/dbraw/zinc/47/74/36/1323477436.db2.gz VMAKOUOHCSPLJY-QGZVFWFLSA-N 2 1 342.487 3.355 20 0 EGADMP O=C(NC[C@H]1CCCC[N@H+]1CC1CC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024617461 1323546383 /nfs/dbraw/zinc/54/63/83/1323546383.db2.gz GYHJSKJAJUSYNV-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCCC[NH+]1CC1CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617461 1323546388 /nfs/dbraw/zinc/54/63/88/1323546388.db2.gz GYHJSKJAJUSYNV-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCCC[NH+]1CC1CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617461 1323546391 /nfs/dbraw/zinc/54/63/91/1323546391.db2.gz GYHJSKJAJUSYNV-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCCC2CCC2)CC[N@H+]1C ZINC001024620486 1323549219 /nfs/dbraw/zinc/54/92/19/1323549219.db2.gz WCDDFNAKJVTFGG-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC2CCC2)CC[NH+]1C ZINC001024620486 1323549227 /nfs/dbraw/zinc/54/92/27/1323549227.db2.gz WCDDFNAKJVTFGG-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCCC2CCC2)CC[NH+]1C ZINC001024620486 1323549232 /nfs/dbraw/zinc/54/92/32/1323549232.db2.gz WCDDFNAKJVTFGG-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCCC[C@H]2[C@H]2CCC[N@H+]2CC2CCC2)CCC1 ZINC001025240851 1324033798 /nfs/dbraw/zinc/03/37/98/1324033798.db2.gz RNMFSEQNITYLBK-MOPGFXCFSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001025469497 1324315384 /nfs/dbraw/zinc/31/53/84/1324315384.db2.gz PZZNVELNBLXLTI-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]12 ZINC001026298530 1324710755 /nfs/dbraw/zinc/71/07/55/1324710755.db2.gz NPWPOVISIRUYDR-BHIYHBOVSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1CCC([NH2+]CCC2CC2)CC1 ZINC001026506687 1324854796 /nfs/dbraw/zinc/85/47/96/1324854796.db2.gz FUIPKRAGIXWOBT-CTWPCTMYSA-N 2 1 335.536 3.066 20 0 EGADMP O=C(NC1CCC([NH2+]CCC2CC2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001026507326 1324855483 /nfs/dbraw/zinc/85/54/83/1324855483.db2.gz PPHDXYMEHMAJBU-QLOJAFMTSA-N 2 1 347.547 3.211 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001026515596 1324861203 /nfs/dbraw/zinc/86/12/03/1324861203.db2.gz BPBMTEAGMWGBOT-MHJFOBGBSA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000963320008 1325105426 /nfs/dbraw/zinc/10/54/26/1325105426.db2.gz YKOGELSBPYFGQS-MHJFOBGBSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963345014 1325135292 /nfs/dbraw/zinc/13/52/92/1325135292.db2.gz CLSGESLVRMBAMN-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364409 1325166058 /nfs/dbraw/zinc/16/60/58/1325166058.db2.gz CCWQAOAGRDEGRZ-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP COc1cc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)ccc1OC(F)F ZINC000925511148 1325184403 /nfs/dbraw/zinc/18/44/03/1325184403.db2.gz HJPHMWMMEXOTDA-UHOFOFEASA-N 2 1 340.414 3.163 20 0 EGADMP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925522885 1325190271 /nfs/dbraw/zinc/19/02/71/1325190271.db2.gz PBZHJOHBGXPZQC-ZWKOTPCHSA-N 2 1 339.439 3.242 20 0 EGADMP CC1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)cn2)CC1 ZINC000925559174 1325208690 /nfs/dbraw/zinc/20/86/90/1325208690.db2.gz AWWJZXHFOKCARP-YZGWKJHDSA-N 2 1 342.531 3.184 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cc(CO)on1 ZINC000925614773 1325231838 /nfs/dbraw/zinc/23/18/38/1325231838.db2.gz KOYXOWQIBNHADE-BQFCYCMXSA-N 2 1 343.471 3.118 20 0 EGADMP FC(F)(F)[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)O1 ZINC000925805250 1325308445 /nfs/dbraw/zinc/30/84/45/1325308445.db2.gz HKDBYGPMOOMLHX-WCVJEAGWSA-N 2 1 328.378 3.179 20 0 EGADMP C[C@H]1C[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000925843800 1325325965 /nfs/dbraw/zinc/32/59/65/1325325965.db2.gz PGIPLHSJWPYFLY-OYNPSCLESA-N 2 1 327.516 3.161 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC[N@@H+]1Cc1ccccc1 ZINC000925843800 1325325972 /nfs/dbraw/zinc/32/59/72/1325325972.db2.gz PGIPLHSJWPYFLY-OYNPSCLESA-N 3 1 327.516 3.161 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000925843800 1325325979 /nfs/dbraw/zinc/32/59/79/1325325979.db2.gz PGIPLHSJWPYFLY-OYNPSCLESA-N 3 1 327.516 3.161 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CCN1Cc1ccccc1 ZINC000925843800 1325325986 /nfs/dbraw/zinc/32/59/86/1325325986.db2.gz PGIPLHSJWPYFLY-OYNPSCLESA-N 2 1 327.516 3.161 20 0 EGADMP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCCCC[NH+]2CCNCC2)C1 ZINC000925846351 1325326815 /nfs/dbraw/zinc/32/68/15/1325326815.db2.gz LZRXYBRVOGTJDX-PMACEKPBSA-N 2 1 344.547 3.081 20 0 EGADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000963903070 1325429120 /nfs/dbraw/zinc/42/91/20/1325429120.db2.gz XHXAMJGCMZFKAL-UHFFFAOYSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000963907656 1325431115 /nfs/dbraw/zinc/43/11/15/1325431115.db2.gz GYYGECIKHXGAEO-IPJUCJBFSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1ccc(CN[C@H]2CCC[N@H+]3CCCC[C@H]23)c(N2CCCC2)n1 ZINC000926121101 1325435867 /nfs/dbraw/zinc/43/58/67/1325435867.db2.gz LMBFIQLIFCFFSQ-RBUKOAKNSA-N 2 1 328.504 3.097 20 0 EGADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC000964184744 1325485852 /nfs/dbraw/zinc/48/58/52/1325485852.db2.gz ICVGYOVEYACCIR-XEVCZEQESA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000964436277 1325525102 /nfs/dbraw/zinc/52/51/02/1325525102.db2.gz APNHRDGKWVRREZ-MHJFOBGBSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+](C)C ZINC000926475339 1325567897 /nfs/dbraw/zinc/56/78/97/1325567897.db2.gz TZJKPLCQGPFDCB-XSLAUPDRSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+](C)C ZINC000926475339 1325567902 /nfs/dbraw/zinc/56/79/02/1325567902.db2.gz TZJKPLCQGPFDCB-XSLAUPDRSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+](C)C ZINC000926475339 1325567906 /nfs/dbraw/zinc/56/79/06/1325567906.db2.gz TZJKPLCQGPFDCB-XSLAUPDRSA-N 3 1 329.532 3.359 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027410661 1327636083 /nfs/dbraw/zinc/63/60/83/1327636083.db2.gz YKAKEWDPKRCLRG-MOPGFXCFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001027410661 1327636092 /nfs/dbraw/zinc/63/60/92/1327636092.db2.gz YKAKEWDPKRCLRG-MOPGFXCFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001027410661 1327636100 /nfs/dbraw/zinc/63/61/00/1327636100.db2.gz YKAKEWDPKRCLRG-MOPGFXCFSA-N 2 1 349.563 3.218 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@@H]([N@@H+](C)CCC3CCCCC3)C2)CCC1 ZINC001027440865 1327678587 /nfs/dbraw/zinc/67/85/87/1327678587.db2.gz MTOUVJBIFJVHAR-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CC1=CCCCC1)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027477970 1327732263 /nfs/dbraw/zinc/73/22/63/1327732263.db2.gz OBHDONFKYAXPGH-IBGZPJMESA-N 2 1 345.531 3.038 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCCC2)C1 ZINC001027493342 1327754988 /nfs/dbraw/zinc/75/49/88/1327754988.db2.gz CPRAQDFLRZRUKP-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC001027493342 1327754994 /nfs/dbraw/zinc/75/49/94/1327754994.db2.gz CPRAQDFLRZRUKP-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP C[N@@H+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027519653 1327792573 /nfs/dbraw/zinc/79/25/73/1327792573.db2.gz RPPXDCJMDPFUHM-LJQANCHMSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542939 1327847658 /nfs/dbraw/zinc/84/76/58/1327847658.db2.gz VOXRKOSXCWALAU-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027542939 1327847671 /nfs/dbraw/zinc/84/76/71/1327847671.db2.gz VOXRKOSXCWALAU-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027542939 1327847677 /nfs/dbraw/zinc/84/76/77/1327847677.db2.gz VOXRKOSXCWALAU-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH+](C)CCC3CCCC3)C2)CC[N@H+]1C ZINC001027548050 1327853874 /nfs/dbraw/zinc/85/38/74/1327853874.db2.gz ZSGZSNOVYNFEJH-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([N@H+](C)CCC3CCCC3)C2)CC[NH+]1C ZINC001027548050 1327853881 /nfs/dbraw/zinc/85/38/81/1327853881.db2.gz ZSGZSNOVYNFEJH-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)CCC3CCCC3)C2)CC[NH+]1C ZINC001027548050 1327853888 /nfs/dbraw/zinc/85/38/88/1327853888.db2.gz ZSGZSNOVYNFEJH-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000927112327 1327871562 /nfs/dbraw/zinc/87/15/62/1327871562.db2.gz MIIJRRZMVLKSPN-HNNXBMFYSA-N 2 1 342.487 3.089 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH+](C)CC2CCCCCC2)C1 ZINC001027575557 1327911595 /nfs/dbraw/zinc/91/15/95/1327911595.db2.gz BEEFMINTSITEDK-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCCC2)C1 ZINC001027575557 1327911603 /nfs/dbraw/zinc/91/16/03/1327911603.db2.gz BEEFMINTSITEDK-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC001027575557 1327911609 /nfs/dbraw/zinc/91/16/09/1327911609.db2.gz BEEFMINTSITEDK-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH+](C)CCC2=CCCCC2)C1 ZINC001027575937 1327911844 /nfs/dbraw/zinc/91/18/44/1327911844.db2.gz GSLZBSLTQHIGGH-AZUAARDMSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC001027575937 1327911851 /nfs/dbraw/zinc/91/18/51/1327911851.db2.gz GSLZBSLTQHIGGH-AZUAARDMSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC001027575937 1327911858 /nfs/dbraw/zinc/91/18/58/1327911858.db2.gz GSLZBSLTQHIGGH-AZUAARDMSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH+](C)CC3CCCCCC3)C2)C1 ZINC001027576534 1327914943 /nfs/dbraw/zinc/91/49/43/1327914943.db2.gz QNPWRAACKYJLNX-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@H]([N@H+](C)CC3CCCCCC3)C2)C1 ZINC001027576534 1327914952 /nfs/dbraw/zinc/91/49/52/1327914952.db2.gz QNPWRAACKYJLNX-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@H]([N@@H+](C)CC3CCCCCC3)C2)C1 ZINC001027576534 1327914955 /nfs/dbraw/zinc/91/49/55/1327914955.db2.gz QNPWRAACKYJLNX-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CC3CCCC3)C2)CC1 ZINC001027636717 1328003567 /nfs/dbraw/zinc/00/35/67/1328003567.db2.gz GDDDMZXAACEESF-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC001027687020 1328089557 /nfs/dbraw/zinc/08/95/57/1328089557.db2.gz ZSFLFBSBPKXWGN-LJQANCHMSA-N 2 1 344.503 3.005 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC001027687020 1328089562 /nfs/dbraw/zinc/08/95/62/1328089562.db2.gz ZSFLFBSBPKXWGN-LJQANCHMSA-N 2 1 344.503 3.005 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCCC1 ZINC001027879199 1328345555 /nfs/dbraw/zinc/34/55/55/1328345555.db2.gz PAJBKDISWUMJFL-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001027879199 1328345561 /nfs/dbraw/zinc/34/55/61/1328345561.db2.gz PAJBKDISWUMJFL-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001027879199 1328345567 /nfs/dbraw/zinc/34/55/67/1328345567.db2.gz PAJBKDISWUMJFL-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001027986310 1328457993 /nfs/dbraw/zinc/45/79/93/1328457993.db2.gz URMYUPRPIUFIAZ-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001027986310 1328457999 /nfs/dbraw/zinc/45/79/99/1328457999.db2.gz URMYUPRPIUFIAZ-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCC1 ZINC001027986310 1328458008 /nfs/dbraw/zinc/45/80/08/1328458008.db2.gz URMYUPRPIUFIAZ-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1cccc(C[N@H+]2CCC[C@@H]2CNC(=O)c2ccn3c[nH+]cc3c2)c1 ZINC001028003053 1328465274 /nfs/dbraw/zinc/46/52/74/1328465274.db2.gz KTGYKEKXWWVRBD-LJQANCHMSA-N 2 1 348.450 3.037 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CCC1CCCC1)c1ccc2c[nH+]cn2c1 ZINC001028030060 1328493120 /nfs/dbraw/zinc/49/31/20/1328493120.db2.gz RDMWPUMPMOHVCH-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP C[C@@H](C[N@@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C1CCCCC1 ZINC000863315258 1329545759 /nfs/dbraw/zinc/54/57/59/1329545759.db2.gz QTNCYPMJFVKABJ-OXJNMPFZSA-N 2 1 349.519 3.009 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000865417916 1329694299 /nfs/dbraw/zinc/69/42/99/1329694299.db2.gz BYVRZSINUFHHMO-UHFFFAOYSA-N 2 1 345.397 3.050 20 0 EGADMP Cn1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(-c2cc(F)ccc2F)n1 ZINC000865595527 1329717739 /nfs/dbraw/zinc/71/77/39/1329717739.db2.gz LIDCXKSASONLRX-UHFFFAOYSA-N 2 1 348.441 3.329 20 0 EGADMP CC(=O)NCC1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000865804765 1329739807 /nfs/dbraw/zinc/73/98/07/1329739807.db2.gz HCKSOEMTERZJME-QLOJAFMTSA-N 2 1 335.536 3.068 20 0 EGADMP CC(=O)NCC1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000865804765 1329739808 /nfs/dbraw/zinc/73/98/08/1329739808.db2.gz HCKSOEMTERZJME-QLOJAFMTSA-N 2 1 335.536 3.068 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932191773 1329793399 /nfs/dbraw/zinc/79/33/99/1329793399.db2.gz OVBAUCXTFSLFFC-HNNXBMFYSA-N 2 1 330.501 3.406 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932191773 1329793401 /nfs/dbraw/zinc/79/34/01/1329793401.db2.gz OVBAUCXTFSLFFC-HNNXBMFYSA-N 2 1 330.501 3.406 20 0 EGADMP C[C@H]1C[C@H](N(C)C(=O)CC[NH2+]C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000933258947 1329875475 /nfs/dbraw/zinc/87/54/75/1329875475.db2.gz UTJSQCFHTPFLMB-PKOBYXMFSA-N 2 1 345.531 3.276 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)o2)C[C@H]1C ZINC000933368097 1329883509 /nfs/dbraw/zinc/88/35/09/1329883509.db2.gz IPRPOENIYVGNKF-IAGOWNOFSA-N 2 1 347.503 3.210 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CC[NH2+]C(C)(C)C ZINC000934740302 1330004420 /nfs/dbraw/zinc/00/44/20/1330004420.db2.gz POJPEDQYHGFZIO-YRWFTTLQSA-N 2 1 345.531 3.037 20 0 EGADMP C[C@@H]1C[C@@H](CCNC(=O)CC[NH2+]C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000935058009 1330025853 /nfs/dbraw/zinc/02/58/53/1330025853.db2.gz FLQQDOJKUMASGD-IEBWSBKVSA-N 2 1 345.531 3.182 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3c(Cl)cncc3Cl)C2)C1 ZINC000866667641 1330139603 /nfs/dbraw/zinc/13/96/03/1330139603.db2.gz TUDSGQWQMAIKAR-XHBSWPGZSA-N 2 1 344.286 3.107 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3c(Cl)cncc3Cl)C2)C1 ZINC000866667641 1330139604 /nfs/dbraw/zinc/13/96/04/1330139604.db2.gz TUDSGQWQMAIKAR-XHBSWPGZSA-N 2 1 344.286 3.107 20 0 EGADMP Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000866666809 1330139676 /nfs/dbraw/zinc/13/96/76/1330139676.db2.gz XKOGIDPAZSCSND-YOEHRIQHSA-N 2 1 349.906 3.439 20 0 EGADMP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000866666807 1330139801 /nfs/dbraw/zinc/13/98/01/1330139801.db2.gz XKOGIDPAZSCSND-RHSMWYFYSA-N 2 1 349.906 3.439 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C[C@@H]2C)CC1 ZINC000943875009 1332286646 /nfs/dbraw/zinc/28/66/46/1332286646.db2.gz AJIYNJOPNKYNMA-PXNSSMCTSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945338326 1332560981 /nfs/dbraw/zinc/56/09/81/1332560981.db2.gz ZYAGRJZYMHVUKL-FUHWJXTLSA-N 2 1 349.519 3.362 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2CC1 ZINC000946645303 1332869942 /nfs/dbraw/zinc/86/99/42/1332869942.db2.gz QTPWRNSHWOOSHG-OTWHNJEPSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]2CC1 ZINC000946645303 1332869943 /nfs/dbraw/zinc/86/99/43/1332869943.db2.gz QTPWRNSHWOOSHG-OTWHNJEPSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCC(C)C)C[C@H]2CC1 ZINC000946904920 1332929762 /nfs/dbraw/zinc/92/97/62/1332929762.db2.gz TUFNHWFPAHIUBM-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC(C)C)C[C@H]2CC1 ZINC000946904920 1332929767 /nfs/dbraw/zinc/92/97/67/1332929767.db2.gz TUFNHWFPAHIUBM-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCC(C)C)C[C@H]2CC1 ZINC000946904920 1332929770 /nfs/dbraw/zinc/92/97/70/1332929770.db2.gz TUFNHWFPAHIUBM-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CCC1CCCC1 ZINC000947498560 1333148089 /nfs/dbraw/zinc/14/80/89/1333148089.db2.gz VYRHOKCFCAUNJY-HKUYNNGSSA-N 2 1 347.547 3.164 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)[C@H](C)C1 ZINC000947546346 1333167355 /nfs/dbraw/zinc/16/73/55/1333167355.db2.gz GHUSBNDJWHAWMN-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)[C@H](C)C1 ZINC000947546346 1333167358 /nfs/dbraw/zinc/16/73/58/1333167358.db2.gz GHUSBNDJWHAWMN-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947569065 1333174879 /nfs/dbraw/zinc/17/48/79/1333174879.db2.gz RHVNOPVWWBSFEH-PKOBYXMFSA-N 2 1 345.531 3.029 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947723848 1333241113 /nfs/dbraw/zinc/24/11/13/1333241113.db2.gz YVSKAKPCVSRTPE-YLJYHZDGSA-N 2 1 345.531 3.029 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CCC(C)(C)C ZINC000947727545 1333242381 /nfs/dbraw/zinc/24/23/81/1333242381.db2.gz YXABLTAJFNQLFP-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CCC(C)(C)C ZINC000947727545 1333242384 /nfs/dbraw/zinc/24/23/84/1333242384.db2.gz YXABLTAJFNQLFP-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CCC(C)(C)C ZINC000947727545 1333242386 /nfs/dbraw/zinc/24/23/86/1333242386.db2.gz YXABLTAJFNQLFP-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1CC1CCC1 ZINC000947799779 1333265836 /nfs/dbraw/zinc/26/58/36/1333265836.db2.gz CSDYKAALFKDYER-UZLBHIALSA-N 2 1 343.515 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)[C@@H](C)C1 ZINC000948043796 1333351607 /nfs/dbraw/zinc/35/16/07/1333351607.db2.gz IYZXVUHXGVGGLR-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)[C@@H](C)C1 ZINC000948043796 1333351608 /nfs/dbraw/zinc/35/16/08/1333351608.db2.gz IYZXVUHXGVGGLR-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC000948245403 1333439722 /nfs/dbraw/zinc/43/97/22/1333439722.db2.gz QAWUHEVRSBKFLL-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](CCC2=CCCCC2)CC1 ZINC000948245403 1333439724 /nfs/dbraw/zinc/43/97/24/1333439724.db2.gz QAWUHEVRSBKFLL-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](CCC2=CCCCC2)CC1 ZINC000948245403 1333439725 /nfs/dbraw/zinc/43/97/25/1333439725.db2.gz QAWUHEVRSBKFLL-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CCCC[N@H+]1CCC[C@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948439493 1333525586 /nfs/dbraw/zinc/52/55/86/1333525586.db2.gz QMRATVXXUNBTFR-RBUKOAKNSA-N 2 1 337.552 3.362 20 0 EGADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948439493 1333525591 /nfs/dbraw/zinc/52/55/91/1333525591.db2.gz QMRATVXXUNBTFR-RBUKOAKNSA-N 2 1 337.552 3.362 20 0 EGADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948439493 1333525595 /nfs/dbraw/zinc/52/55/95/1333525595.db2.gz QMRATVXXUNBTFR-RBUKOAKNSA-N 2 1 337.552 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439762 1333526442 /nfs/dbraw/zinc/52/64/42/1333526442.db2.gz VDYZSDFPIOJJMU-IEBWSBKVSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439762 1333526443 /nfs/dbraw/zinc/52/64/43/1333526443.db2.gz VDYZSDFPIOJJMU-IEBWSBKVSA-N 2 1 335.536 3.116 20 0 EGADMP CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439762 1333526448 /nfs/dbraw/zinc/52/64/48/1333526448.db2.gz VDYZSDFPIOJJMU-IEBWSBKVSA-N 2 1 335.536 3.116 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948440024 1333526601 /nfs/dbraw/zinc/52/66/01/1333526601.db2.gz ZQYPOIBRMVROJR-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948440024 1333526603 /nfs/dbraw/zinc/52/66/03/1333526603.db2.gz ZQYPOIBRMVROJR-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948440024 1333526604 /nfs/dbraw/zinc/52/66/04/1333526604.db2.gz ZQYPOIBRMVROJR-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473953 1333540017 /nfs/dbraw/zinc/54/00/17/1333540017.db2.gz NQQHVRPNZPCFFU-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620847 1333599993 /nfs/dbraw/zinc/59/99/93/1333599993.db2.gz JLWCLSCQTUITPX-WMZOPIPTSA-N 2 1 342.487 3.307 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CC3CCCC3)CC2)CC[N@H+]1C ZINC000948717024 1333644545 /nfs/dbraw/zinc/64/45/45/1333644545.db2.gz KEGMOSASMWAEMN-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CCC[N@H+](CC3CCCC3)CC2)CC[NH+]1C ZINC000948717024 1333644546 /nfs/dbraw/zinc/64/45/46/1333644546.db2.gz KEGMOSASMWAEMN-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CCC[N@@H+](CC3CCCC3)CC2)CC[NH+]1C ZINC000948717024 1333644549 /nfs/dbraw/zinc/64/45/49/1333644549.db2.gz KEGMOSASMWAEMN-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726084 1333648526 /nfs/dbraw/zinc/64/85/26/1333648526.db2.gz MZDFTMDVPBWMGU-KRWDZBQOSA-N 2 1 335.492 3.068 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948775384 1333673705 /nfs/dbraw/zinc/67/37/05/1333673705.db2.gz HGNTUNYNSYNDTD-PKOBYXMFSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000948775384 1333673707 /nfs/dbraw/zinc/67/37/07/1333673707.db2.gz HGNTUNYNSYNDTD-PKOBYXMFSA-N 2 1 337.552 3.220 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000948775384 1333673708 /nfs/dbraw/zinc/67/37/08/1333673708.db2.gz HGNTUNYNSYNDTD-PKOBYXMFSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC000948775480 1333674805 /nfs/dbraw/zinc/67/48/05/1333674805.db2.gz JOFPUYMYSFJXQU-IEBWSBKVSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC000948775480 1333674807 /nfs/dbraw/zinc/67/48/07/1333674807.db2.gz JOFPUYMYSFJXQU-IEBWSBKVSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000948775480 1333674811 /nfs/dbraw/zinc/67/48/11/1333674811.db2.gz JOFPUYMYSFJXQU-IEBWSBKVSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CCC(C[N@H+]2CCC[C@H](N(C)C(=O)Cc3ncc[nH]3)CC2)CC1 ZINC000948886403 1333719479 /nfs/dbraw/zinc/71/94/79/1333719479.db2.gz NLBJNIMYZLWZSQ-ABHNRTSZSA-N 2 1 346.519 3.091 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](N(C)C(=O)Cc2ncc[nH]2)CC1 ZINC000948886951 1333719744 /nfs/dbraw/zinc/71/97/44/1333719744.db2.gz UOAKXEVRCLLCLD-SJLPKXTDSA-N 2 1 340.471 3.026 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](N(C)C(=O)Cc2ncc[nH]2)CC1 ZINC000948886949 1333719768 /nfs/dbraw/zinc/71/97/68/1333719768.db2.gz UOAKXEVRCLLCLD-AEFFLSMTSA-N 2 1 340.471 3.026 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000949900286 1333959650 /nfs/dbraw/zinc/95/96/50/1333959650.db2.gz PFNDDDIIWLDMNB-UHFFFAOYSA-N 2 1 347.503 3.069 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1C[NH+](CCC2=CCCCC2)C1 ZINC000950063317 1334006099 /nfs/dbraw/zinc/00/60/99/1334006099.db2.gz HURUHVOJNLGZDZ-HXUWFJFHSA-N 2 1 347.547 3.282 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1C[NH+](CCC2=CCCCC2)C1 ZINC000950063317 1334006102 /nfs/dbraw/zinc/00/61/02/1334006102.db2.gz HURUHVOJNLGZDZ-HXUWFJFHSA-N 2 1 347.547 3.282 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000950363875 1334050423 /nfs/dbraw/zinc/05/04/23/1334050423.db2.gz UYFRXKFSUISIMY-YLJYHZDGSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1C[NH+](CC2CCCCC2)C1 ZINC000950614586 1334097671 /nfs/dbraw/zinc/09/76/71/1334097671.db2.gz GNMWJPGIZSPQAY-QUCCMNQESA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1C[NH+](CCCC2CCC2)C1 ZINC000950707906 1334119492 /nfs/dbraw/zinc/11/94/92/1334119492.db2.gz COADTCGKYRTZDY-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1C[NH+](CCCC2CCC2)C1 ZINC000950707906 1334119493 /nfs/dbraw/zinc/11/94/93/1334119493.db2.gz COADTCGKYRTZDY-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H](C(=O)N1CC[NH+](CCC2=CCCCC2)CC1)[NH+]1CCCCCC1 ZINC000951192315 1334203157 /nfs/dbraw/zinc/20/31/57/1334203157.db2.gz HJYZZGYCQVCQFO-LJQANCHMSA-N 2 1 347.547 3.286 20 0 EGADMP CCC(CC)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000952406845 1334451325 /nfs/dbraw/zinc/45/13/25/1334451325.db2.gz LNOGYKPIEHFPCX-IBGZPJMESA-N 2 1 337.552 3.218 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](CCCc2ccccc2Br)C1 ZINC001205001916 1370624906 /nfs/dbraw/zinc/62/49/06/1370624906.db2.gz XMIKJKYMXGWYFH-AWEZNQCLSA-N 2 1 325.294 3.313 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCc2ccccc2Br)C1 ZINC001205001916 1370624909 /nfs/dbraw/zinc/62/49/09/1370624909.db2.gz XMIKJKYMXGWYFH-AWEZNQCLSA-N 2 1 325.294 3.313 20 0 EGADMP CC(C)=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000968849957 1336067425 /nfs/dbraw/zinc/06/74/25/1336067425.db2.gz KTPWETSCRITJAO-RBUKOAKNSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968849957 1336067428 /nfs/dbraw/zinc/06/74/28/1336067428.db2.gz KTPWETSCRITJAO-RBUKOAKNSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968849957 1336067430 /nfs/dbraw/zinc/06/74/30/1336067430.db2.gz KTPWETSCRITJAO-RBUKOAKNSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968914533 1336087238 /nfs/dbraw/zinc/08/72/38/1336087238.db2.gz WLNXYGAUVNGIKX-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1)C1CCC1 ZINC000968921705 1336089886 /nfs/dbraw/zinc/08/98/86/1336089886.db2.gz GTSNGLCTHFYAJG-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1c(C(=O)NC[C@H]2CCCCC[N@@H+]2CC(C)C)ccc2c[nH+]cn21 ZINC000968925986 1336092336 /nfs/dbraw/zinc/09/23/36/1336092336.db2.gz RFVKUNXDHFDQRS-QGZVFWFLSA-N 2 1 342.487 3.273 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1 ZINC000968928515 1336092850 /nfs/dbraw/zinc/09/28/50/1336092850.db2.gz MWUKCUMPGJFCKK-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CC1 ZINC000968928515 1336092854 /nfs/dbraw/zinc/09/28/54/1336092854.db2.gz MWUKCUMPGJFCKK-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCC1CC1 ZINC000968928515 1336092856 /nfs/dbraw/zinc/09/28/56/1336092856.db2.gz MWUKCUMPGJFCKK-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(NC[C@@H]1CCCCC[N@H+]1CC1CCC1)c1ccc2c[nH+]cn2c1 ZINC000968955397 1336102001 /nfs/dbraw/zinc/10/20/01/1336102001.db2.gz ULUKSYRNFSEGFN-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP C[C@]1([NH3+])CCC[N@H+](Cc2nc3ccc(Br)cc3o2)CC1 ZINC001205295969 1370709753 /nfs/dbraw/zinc/70/97/53/1370709753.db2.gz DQPCZBYEXLJVBZ-HNNXBMFYSA-N 2 1 338.249 3.294 20 0 EGADMP C[C@]1([NH3+])CCC[N@@H+](Cc2nc3ccc(Br)cc3o2)CC1 ZINC001205295969 1370709757 /nfs/dbraw/zinc/70/97/57/1370709757.db2.gz DQPCZBYEXLJVBZ-HNNXBMFYSA-N 2 1 338.249 3.294 20 0 EGADMP CC(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118332 1336150295 /nfs/dbraw/zinc/15/02/95/1336150295.db2.gz LVSWEBBGYCJJLU-KRWDZBQOSA-N 2 1 346.519 3.168 20 0 EGADMP CC(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118332 1336150298 /nfs/dbraw/zinc/15/02/98/1336150298.db2.gz LVSWEBBGYCJJLU-KRWDZBQOSA-N 2 1 346.519 3.168 20 0 EGADMP CC[C@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118368 1336150337 /nfs/dbraw/zinc/15/03/37/1336150337.db2.gz NETVHHPPQCIUNO-DLBZAZTESA-N 2 1 346.519 3.168 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118368 1336150338 /nfs/dbraw/zinc/15/03/38/1336150338.db2.gz NETVHHPPQCIUNO-DLBZAZTESA-N 2 1 346.519 3.168 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC=C(C)C ZINC000969156242 1336165414 /nfs/dbraw/zinc/16/54/14/1336165414.db2.gz NYBCLMYLLWAIML-MOPGFXCFSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC=C(C)C ZINC000969156242 1336165416 /nfs/dbraw/zinc/16/54/16/1336165416.db2.gz NYBCLMYLLWAIML-MOPGFXCFSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC=C(C)C ZINC000969156242 1336165417 /nfs/dbraw/zinc/16/54/17/1336165417.db2.gz NYBCLMYLLWAIML-MOPGFXCFSA-N 2 1 335.536 3.188 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC000969967998 1336267547 /nfs/dbraw/zinc/26/75/47/1336267547.db2.gz LKNJQKICJSSBDR-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001005478035 1336358481 /nfs/dbraw/zinc/35/84/81/1336358481.db2.gz UGNDZJBAMIAORY-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001006000793 1336436017 /nfs/dbraw/zinc/43/60/17/1336436017.db2.gz JMQYOQCGYWUINH-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001007456438 1336650011 /nfs/dbraw/zinc/65/00/11/1336650011.db2.gz GUPLLABKSXQSHS-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001007456438 1336650013 /nfs/dbraw/zinc/65/00/13/1336650013.db2.gz GUPLLABKSXQSHS-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2csc(C)c2)C1 ZINC001007456934 1336650427 /nfs/dbraw/zinc/65/04/27/1336650427.db2.gz IADJFOPSCVOPHW-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2csc(C)c2)C1 ZINC001007456934 1336650428 /nfs/dbraw/zinc/65/04/28/1336650428.db2.gz IADJFOPSCVOPHW-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2csc(C)c2)C1 ZINC001007456934 1336650431 /nfs/dbraw/zinc/65/04/31/1336650431.db2.gz IADJFOPSCVOPHW-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2csc(C)c2)C1 ZINC001007456934 1336650433 /nfs/dbraw/zinc/65/04/33/1336650433.db2.gz IADJFOPSCVOPHW-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001007500341 1336658829 /nfs/dbraw/zinc/65/88/29/1336658829.db2.gz SHMLDWBUYKVZMQ-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001007500341 1336658831 /nfs/dbraw/zinc/65/88/31/1336658831.db2.gz SHMLDWBUYKVZMQ-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001007500341 1336658832 /nfs/dbraw/zinc/65/88/32/1336658832.db2.gz SHMLDWBUYKVZMQ-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001007649677 1336683592 /nfs/dbraw/zinc/68/35/92/1336683592.db2.gz WTTHIKHRQRYKJK-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001007649677 1336683594 /nfs/dbraw/zinc/68/35/94/1336683594.db2.gz WTTHIKHRQRYKJK-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001007649677 1336683596 /nfs/dbraw/zinc/68/35/96/1336683596.db2.gz WTTHIKHRQRYKJK-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP Cc1cncn1CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001007953474 1336737892 /nfs/dbraw/zinc/73/78/92/1336737892.db2.gz OEJGGRQUBJQPHL-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001007953474 1336737895 /nfs/dbraw/zinc/73/78/95/1336737895.db2.gz OEJGGRQUBJQPHL-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001007953474 1336737897 /nfs/dbraw/zinc/73/78/97/1336737897.db2.gz OEJGGRQUBJQPHL-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1cncn1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001007953479 1336737981 /nfs/dbraw/zinc/73/79/81/1336737981.db2.gz OEJGGRQUBJQPHL-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001007953479 1336737983 /nfs/dbraw/zinc/73/79/83/1336737983.db2.gz OEJGGRQUBJQPHL-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001007953479 1336737985 /nfs/dbraw/zinc/73/79/85/1336737985.db2.gz OEJGGRQUBJQPHL-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(Br)nc2Cl)CCC[C@H]1C[NH3+] ZINC001206004139 1370935711 /nfs/dbraw/zinc/93/57/11/1370935711.db2.gz QQKCRPHNLNAYRE-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)nc2Cl)CCC[C@H]1C[NH3+] ZINC001206004139 1370935713 /nfs/dbraw/zinc/93/57/13/1370935713.db2.gz QQKCRPHNLNAYRE-MNOVXSKESA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001008529277 1336876781 /nfs/dbraw/zinc/87/67/81/1336876781.db2.gz FLVSTPNJFSDBMP-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001008529277 1336876784 /nfs/dbraw/zinc/87/67/84/1336876784.db2.gz FLVSTPNJFSDBMP-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001008529277 1336876788 /nfs/dbraw/zinc/87/67/88/1336876788.db2.gz FLVSTPNJFSDBMP-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001008536968 1336877131 /nfs/dbraw/zinc/87/71/31/1336877131.db2.gz CCQJGDCDCLYMAP-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001008536968 1336877133 /nfs/dbraw/zinc/87/71/33/1336877133.db2.gz CCQJGDCDCLYMAP-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001008536968 1336877136 /nfs/dbraw/zinc/87/71/36/1336877136.db2.gz CCQJGDCDCLYMAP-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001008726324 1336917269 /nfs/dbraw/zinc/91/72/69/1336917269.db2.gz JFKWTVQZVCVPHO-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001008726324 1336917283 /nfs/dbraw/zinc/91/72/83/1336917283.db2.gz JFKWTVQZVCVPHO-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001008750584 1336920409 /nfs/dbraw/zinc/92/04/09/1336920409.db2.gz WTBNHECCIHCVMK-AZUAARDMSA-N 2 1 347.547 3.332 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCC2)C1 ZINC001008757691 1336921261 /nfs/dbraw/zinc/92/12/61/1336921261.db2.gz YVYFVLZTCLKINO-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001008757691 1336921263 /nfs/dbraw/zinc/92/12/63/1336921263.db2.gz YVYFVLZTCLKINO-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001008757691 1336921266 /nfs/dbraw/zinc/92/12/66/1336921266.db2.gz YVYFVLZTCLKINO-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001008773072 1336924879 /nfs/dbraw/zinc/92/48/79/1336924879.db2.gz YGTAGJYBGNLOBU-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008773072 1336924883 /nfs/dbraw/zinc/92/48/83/1336924883.db2.gz YGTAGJYBGNLOBU-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001008773072 1336924885 /nfs/dbraw/zinc/92/48/85/1336924885.db2.gz YGTAGJYBGNLOBU-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001009204098 1336985904 /nfs/dbraw/zinc/98/59/04/1336985904.db2.gz UFHBKPVAZSPMIW-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001009204098 1336985907 /nfs/dbraw/zinc/98/59/07/1336985907.db2.gz UFHBKPVAZSPMIW-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001009204098 1336985908 /nfs/dbraw/zinc/98/59/08/1336985908.db2.gz UFHBKPVAZSPMIW-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1nc[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001009344218 1337009626 /nfs/dbraw/zinc/00/96/26/1337009626.db2.gz BXBSRGAWFQSEPH-GOSISDBHSA-N 2 1 346.519 3.202 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001014414538 1337770447 /nfs/dbraw/zinc/77/04/47/1337770447.db2.gz OXCSUVOYBKBBIS-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001014414538 1337770449 /nfs/dbraw/zinc/77/04/49/1337770449.db2.gz OXCSUVOYBKBBIS-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001014414538 1337770454 /nfs/dbraw/zinc/77/04/54/1337770454.db2.gz OXCSUVOYBKBBIS-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001014426342 1337775360 /nfs/dbraw/zinc/77/53/60/1337775360.db2.gz QYBWIVDCYOPUDT-IBGZPJMESA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001014592330 1337841158 /nfs/dbraw/zinc/84/11/58/1337841158.db2.gz AQQYYGVGHFOCND-QGZVFWFLSA-N 2 1 347.528 3.114 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001014592330 1337841162 /nfs/dbraw/zinc/84/11/62/1337841162.db2.gz AQQYYGVGHFOCND-QGZVFWFLSA-N 2 1 347.528 3.114 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CCC2CCCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001015388334 1338120866 /nfs/dbraw/zinc/12/08/66/1338120866.db2.gz PNVPWWHWJLDMSW-VQTJNVASSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001015782214 1338307493 /nfs/dbraw/zinc/30/74/93/1338307493.db2.gz ZWXRQKNELKKJNK-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001015782214 1338307497 /nfs/dbraw/zinc/30/74/97/1338307497.db2.gz ZWXRQKNELKKJNK-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC001015795757 1338315231 /nfs/dbraw/zinc/31/52/31/1338315231.db2.gz RVSJHCIOHVHRRZ-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001015974765 1338387639 /nfs/dbraw/zinc/38/76/39/1338387639.db2.gz HVTBZXQNSTVGHX-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001015974765 1338387642 /nfs/dbraw/zinc/38/76/42/1338387642.db2.gz HVTBZXQNSTVGHX-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001015974765 1338387648 /nfs/dbraw/zinc/38/76/48/1338387648.db2.gz HVTBZXQNSTVGHX-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251395 1338525022 /nfs/dbraw/zinc/52/50/22/1338525022.db2.gz LJUULKVKBFFTQB-ZWKOTPCHSA-N 2 1 349.906 3.077 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001016333759 1338553607 /nfs/dbraw/zinc/55/36/07/1338553607.db2.gz MKGBBCSINKSLQD-IBGZPJMESA-N 2 1 343.515 3.133 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCC1CCCC1)CC2 ZINC001016542802 1338639511 /nfs/dbraw/zinc/63/95/11/1338639511.db2.gz LBMITKGXPXUTAV-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001016623311 1338668053 /nfs/dbraw/zinc/66/80/53/1338668053.db2.gz CWHKWGJJKFZWNQ-MJGOQNOKSA-N 2 1 347.547 3.020 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001016688165 1338690972 /nfs/dbraw/zinc/69/09/72/1338690972.db2.gz OSXIGPJPZMFXDM-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016862344 1338751390 /nfs/dbraw/zinc/75/13/90/1338751390.db2.gz WMTGRLGOLZVCGQ-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016862218 1338751611 /nfs/dbraw/zinc/75/16/11/1338751611.db2.gz TXSYZKGPHTXWQI-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H](C[N@H+](C)CC2=CCCCC2)C1)C1CCC1 ZINC001017142270 1338894308 /nfs/dbraw/zinc/89/43/08/1338894308.db2.gz MFUDPFRPYGHPJE-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001017142270 1338894311 /nfs/dbraw/zinc/89/43/11/1338894311.db2.gz MFUDPFRPYGHPJE-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001017142270 1338894312 /nfs/dbraw/zinc/89/43/12/1338894312.db2.gz MFUDPFRPYGHPJE-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001017142644 1338894891 /nfs/dbraw/zinc/89/48/91/1338894891.db2.gz QDVFWEORRJRUGH-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001017142644 1338894897 /nfs/dbraw/zinc/89/48/97/1338894897.db2.gz QDVFWEORRJRUGH-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001017142644 1338894902 /nfs/dbraw/zinc/89/49/02/1338894902.db2.gz QDVFWEORRJRUGH-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CC2)C1 ZINC001017246065 1338976665 /nfs/dbraw/zinc/97/66/65/1338976665.db2.gz LWDDCQMFGQLKSJ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001017246065 1338976667 /nfs/dbraw/zinc/97/66/67/1338976667.db2.gz LWDDCQMFGQLKSJ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001017246065 1338976669 /nfs/dbraw/zinc/97/66/69/1338976669.db2.gz LWDDCQMFGQLKSJ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001017249280 1338979985 /nfs/dbraw/zinc/97/99/85/1338979985.db2.gz AJWYEDSMWIIIHL-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001017249280 1338979988 /nfs/dbraw/zinc/97/99/88/1338979988.db2.gz AJWYEDSMWIIIHL-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001017249280 1338979991 /nfs/dbraw/zinc/97/99/91/1338979991.db2.gz AJWYEDSMWIIIHL-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)CC1CCCCCC1 ZINC001017262362 1338988663 /nfs/dbraw/zinc/98/86/63/1338988663.db2.gz ZLFLZPQDIAIQRR-FQEVSTJZSA-N 2 1 349.563 3.223 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001017266701 1338993268 /nfs/dbraw/zinc/99/32/68/1338993268.db2.gz MYZGVJULVBVNEK-FQEVSTJZSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+]2CCCC2CCC2)C1 ZINC001028088790 1340417565 /nfs/dbraw/zinc/41/75/65/1340417565.db2.gz PSLMCCTXQJFKPP-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCCC2CCC2)C1 ZINC001028088790 1340417566 /nfs/dbraw/zinc/41/75/66/1340417566.db2.gz PSLMCCTXQJFKPP-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCCC2CCC2)C1 ZINC001028088790 1340417568 /nfs/dbraw/zinc/41/75/68/1340417568.db2.gz PSLMCCTXQJFKPP-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCC1 ZINC001028252567 1340512876 /nfs/dbraw/zinc/51/28/76/1340512876.db2.gz YCIBSCZNNRPOSA-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC001028252567 1340512879 /nfs/dbraw/zinc/51/28/79/1340512879.db2.gz YCIBSCZNNRPOSA-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC001028252567 1340512882 /nfs/dbraw/zinc/51/28/82/1340512882.db2.gz YCIBSCZNNRPOSA-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001028573861 1340710749 /nfs/dbraw/zinc/71/07/49/1340710749.db2.gz XLVAONJUTPJHTC-INIZCTEOSA-N 2 1 349.544 3.052 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028595439 1340719992 /nfs/dbraw/zinc/71/99/92/1340719992.db2.gz YUOWIJHUMWGRTM-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028595439 1340719996 /nfs/dbraw/zinc/71/99/96/1340719996.db2.gz YUOWIJHUMWGRTM-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028595439 1340719998 /nfs/dbraw/zinc/71/99/98/1340719998.db2.gz YUOWIJHUMWGRTM-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001029144513 1340942388 /nfs/dbraw/zinc/94/23/88/1340942388.db2.gz WEBXKOZYYRAEGL-KRWDZBQOSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001029147093 1340943046 /nfs/dbraw/zinc/94/30/46/1340943046.db2.gz NHHNLGZKRLWBJI-IRXDYDNUSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029172217 1340948405 /nfs/dbraw/zinc/94/84/05/1340948405.db2.gz AAVBKCRKVWLMMT-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1ccccc1)[NH+](C)C ZINC001029346909 1340974792 /nfs/dbraw/zinc/97/47/92/1340974792.db2.gz HGJCHPYLSZRQQJ-LMCOJAPRSA-N 2 1 343.515 3.009 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001029371956 1340979775 /nfs/dbraw/zinc/97/97/75/1340979775.db2.gz WHYFDUHJLHXVNM-KDURUIRLSA-N 2 1 347.547 3.115 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001029371956 1340979778 /nfs/dbraw/zinc/97/97/78/1340979778.db2.gz WHYFDUHJLHXVNM-KDURUIRLSA-N 2 1 347.547 3.115 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001029371956 1340979780 /nfs/dbraw/zinc/97/97/80/1340979780.db2.gz WHYFDUHJLHXVNM-KDURUIRLSA-N 2 1 347.547 3.115 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC=C(C)C ZINC001029550780 1341010795 /nfs/dbraw/zinc/01/07/95/1341010795.db2.gz YRCBODPDABARDQ-ZCNNSNEGSA-N 2 1 347.547 3.282 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C ZINC001029550780 1341010796 /nfs/dbraw/zinc/01/07/96/1341010796.db2.gz YRCBODPDABARDQ-ZCNNSNEGSA-N 2 1 347.547 3.282 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001029550780 1341010797 /nfs/dbraw/zinc/01/07/97/1341010797.db2.gz YRCBODPDABARDQ-ZCNNSNEGSA-N 2 1 347.547 3.282 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001029755452 1341064261 /nfs/dbraw/zinc/06/42/61/1341064261.db2.gz NETZQYIHWOPEIQ-ZWKOTPCHSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001029755452 1341064262 /nfs/dbraw/zinc/06/42/62/1341064262.db2.gz NETZQYIHWOPEIQ-ZWKOTPCHSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001029755452 1341064263 /nfs/dbraw/zinc/06/42/63/1341064263.db2.gz NETZQYIHWOPEIQ-ZWKOTPCHSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1)[NH+]1CCCC1 ZINC001029910448 1341113579 /nfs/dbraw/zinc/11/35/79/1341113579.db2.gz LUFABTAKDVXSSD-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001029944664 1341130544 /nfs/dbraw/zinc/13/05/44/1341130544.db2.gz PAGJJXKDXSTIOJ-YLJYHZDGSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001029944664 1341130545 /nfs/dbraw/zinc/13/05/45/1341130545.db2.gz PAGJJXKDXSTIOJ-YLJYHZDGSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001029944664 1341130546 /nfs/dbraw/zinc/13/05/46/1341130546.db2.gz PAGJJXKDXSTIOJ-YLJYHZDGSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](CC1=CCCCC1)CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001029971130 1341139065 /nfs/dbraw/zinc/13/90/65/1341139065.db2.gz LWWIMAGRWIKTTG-UHFFFAOYSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001029971130 1341139066 /nfs/dbraw/zinc/13/90/66/1341139066.db2.gz LWWIMAGRWIKTTG-UHFFFAOYSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccc(C)cc2)CC1)[NH+](C)C ZINC001029972253 1341139376 /nfs/dbraw/zinc/13/93/76/1341139376.db2.gz FICXMWZMMKVPEF-HXUWFJFHSA-N 2 1 345.531 3.006 20 0 EGADMP CC[C@@H](C(=O)N1CCC(C[N@@H+](C)CC2CCCCC2)CC1)[NH+](C)C ZINC001029996761 1341151426 /nfs/dbraw/zinc/15/14/26/1341151426.db2.gz KZBHBHAXVWAVIF-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+](C)CC2CCCC2)CC1 ZINC001030014620 1341158473 /nfs/dbraw/zinc/15/84/73/1341158473.db2.gz DVJGDLXTLRVZFO-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CC2CCCC2)CC1 ZINC001030014620 1341158474 /nfs/dbraw/zinc/15/84/74/1341158474.db2.gz DVJGDLXTLRVZFO-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CC2CCCC2)CC1 ZINC001030014620 1341158475 /nfs/dbraw/zinc/15/84/75/1341158475.db2.gz DVJGDLXTLRVZFO-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC(C[N@@H+](C)CC2CC2)CC1)[NH+]1CCCCC1 ZINC001030014963 1341158753 /nfs/dbraw/zinc/15/87/53/1341158753.db2.gz XFVXQHDVFPTGIK-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001030441539 1341187829 /nfs/dbraw/zinc/18/78/29/1341187829.db2.gz BAWXHKODGLTJJL-PKOBYXMFSA-N 2 1 343.515 3.119 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030441539 1341187831 /nfs/dbraw/zinc/18/78/31/1341187831.db2.gz BAWXHKODGLTJJL-PKOBYXMFSA-N 2 1 343.515 3.119 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001030444402 1341188123 /nfs/dbraw/zinc/18/81/23/1341188123.db2.gz JQSXFMDZGLCCGP-FQEVSTJZSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001030444402 1341188124 /nfs/dbraw/zinc/18/81/24/1341188124.db2.gz JQSXFMDZGLCCGP-FQEVSTJZSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001031050850 1341269935 /nfs/dbraw/zinc/26/99/35/1341269935.db2.gz ZGYPKCHRENHQPY-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001031050850 1341269936 /nfs/dbraw/zinc/26/99/36/1341269936.db2.gz ZGYPKCHRENHQPY-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001031584896 1341371776 /nfs/dbraw/zinc/37/17/76/1341371776.db2.gz LLEWSETVKNXBLX-UZLBHIALSA-N 2 1 343.515 3.013 20 0 EGADMP O=C(NCC1C[NH+](CCC2CCCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001031766345 1341398768 /nfs/dbraw/zinc/39/87/68/1341398768.db2.gz GHWGIOXXFTXDPQ-VQTJNVASSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001032205634 1341472819 /nfs/dbraw/zinc/47/28/19/1341472819.db2.gz DGMUHHOYAFGULJ-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCCC1 ZINC001032445721 1341512007 /nfs/dbraw/zinc/51/20/07/1341512007.db2.gz OKZXMPODPSMIBA-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCC1 ZINC001032445721 1341512008 /nfs/dbraw/zinc/51/20/08/1341512008.db2.gz OKZXMPODPSMIBA-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCC1 ZINC001032445721 1341512010 /nfs/dbraw/zinc/51/20/10/1341512010.db2.gz OKZXMPODPSMIBA-AABGKKOBSA-N 2 1 347.547 3.115 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033074524 1341716508 /nfs/dbraw/zinc/71/65/08/1341716508.db2.gz ARIAZWGZEPGVHT-QGZVFWFLSA-N 2 1 337.552 3.220 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033077924 1341717621 /nfs/dbraw/zinc/71/76/21/1341717621.db2.gz UFWIUJGWVNSLND-IBGZPJMESA-N 2 1 347.547 3.284 20 0 EGADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccsc2)C1)[NH+]1CCCCCC1 ZINC001033466633 1341837087 /nfs/dbraw/zinc/83/70/87/1341837087.db2.gz HATJBHZZXMAUEB-FUHWJXTLSA-N 2 1 349.544 3.045 20 0 EGADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001033581709 1341882443 /nfs/dbraw/zinc/88/24/43/1341882443.db2.gz LSGXWEGUQVQKAU-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033581709 1341882445 /nfs/dbraw/zinc/88/24/45/1341882445.db2.gz LSGXWEGUQVQKAU-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001033581709 1341882448 /nfs/dbraw/zinc/88/24/48/1341882448.db2.gz LSGXWEGUQVQKAU-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033656564 1341931572 /nfs/dbraw/zinc/93/15/72/1341931572.db2.gz CDFYRGSJQKCEES-YJBOKZPZSA-N 2 1 349.906 3.030 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033686490 1341950783 /nfs/dbraw/zinc/95/07/83/1341950783.db2.gz PMVGWXMXTRDQOE-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033686490 1341950785 /nfs/dbraw/zinc/95/07/85/1341950785.db2.gz PMVGWXMXTRDQOE-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033686490 1341950786 /nfs/dbraw/zinc/95/07/86/1341950786.db2.gz PMVGWXMXTRDQOE-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033826388 1342027349 /nfs/dbraw/zinc/02/73/49/1342027349.db2.gz PJVFWYZLTLHPAJ-MOPGFXCFSA-N 2 1 349.563 3.218 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033826388 1342027352 /nfs/dbraw/zinc/02/73/52/1342027352.db2.gz PJVFWYZLTLHPAJ-MOPGFXCFSA-N 2 1 349.563 3.218 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033826388 1342027355 /nfs/dbraw/zinc/02/73/55/1342027355.db2.gz PJVFWYZLTLHPAJ-MOPGFXCFSA-N 2 1 349.563 3.218 20 0 EGADMP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033935763 1342098541 /nfs/dbraw/zinc/09/85/41/1342098541.db2.gz ICIFYNJLUMRFSY-OKZBNKHCSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033935763 1342098545 /nfs/dbraw/zinc/09/85/45/1342098545.db2.gz ICIFYNJLUMRFSY-OKZBNKHCSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033935763 1342098549 /nfs/dbraw/zinc/09/85/49/1342098549.db2.gz ICIFYNJLUMRFSY-OKZBNKHCSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033941818 1342103480 /nfs/dbraw/zinc/10/34/80/1342103480.db2.gz SGLUJYNJEKJYJZ-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001034007509 1342145004 /nfs/dbraw/zinc/14/50/04/1342145004.db2.gz MBXYNJMVKKVQGS-LJQANCHMSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034205816 1342315793 /nfs/dbraw/zinc/31/57/93/1342315793.db2.gz YYTBLBVBOSQCPF-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001034205816 1342315798 /nfs/dbraw/zinc/31/57/98/1342315798.db2.gz YYTBLBVBOSQCPF-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001034205816 1342315802 /nfs/dbraw/zinc/31/58/02/1342315802.db2.gz YYTBLBVBOSQCPF-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034205438 1342315897 /nfs/dbraw/zinc/31/58/97/1342315897.db2.gz WPRKDACWOWGAGC-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034205438 1342315899 /nfs/dbraw/zinc/31/58/99/1342315899.db2.gz WPRKDACWOWGAGC-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034205438 1342315903 /nfs/dbraw/zinc/31/59/03/1342315903.db2.gz WPRKDACWOWGAGC-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211459 1342321409 /nfs/dbraw/zinc/32/14/09/1342321409.db2.gz MXCOPDNBINHNQL-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034211459 1342321412 /nfs/dbraw/zinc/32/14/12/1342321412.db2.gz MXCOPDNBINHNQL-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034211459 1342321413 /nfs/dbraw/zinc/32/14/13/1342321413.db2.gz MXCOPDNBINHNQL-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034217734 1342323813 /nfs/dbraw/zinc/32/38/13/1342323813.db2.gz UQQWEMHNMRWYPO-GBESFXJTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001034217734 1342323816 /nfs/dbraw/zinc/32/38/16/1342323816.db2.gz UQQWEMHNMRWYPO-GBESFXJTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001034217734 1342323820 /nfs/dbraw/zinc/32/38/20/1342323820.db2.gz UQQWEMHNMRWYPO-GBESFXJTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034239219 1342340771 /nfs/dbraw/zinc/34/07/71/1342340771.db2.gz JFFURCRCTPIRJE-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034239219 1342340775 /nfs/dbraw/zinc/34/07/75/1342340775.db2.gz JFFURCRCTPIRJE-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034239219 1342340777 /nfs/dbraw/zinc/34/07/77/1342340777.db2.gz JFFURCRCTPIRJE-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034250129 1342347192 /nfs/dbraw/zinc/34/71/92/1342347192.db2.gz PKARYMRIKIAAFA-IAGOWNOFSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034250129 1342347195 /nfs/dbraw/zinc/34/71/95/1342347195.db2.gz PKARYMRIKIAAFA-IAGOWNOFSA-N 2 1 346.519 3.167 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034285185 1342373444 /nfs/dbraw/zinc/37/34/44/1342373444.db2.gz QXKJPNQOLQDXQD-RDJZCZTQSA-N 2 1 342.487 3.273 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289024 1342374712 /nfs/dbraw/zinc/37/47/12/1342374712.db2.gz RPJFYSQCYMKKHA-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034289024 1342374716 /nfs/dbraw/zinc/37/47/16/1342374716.db2.gz RPJFYSQCYMKKHA-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034289024 1342374719 /nfs/dbraw/zinc/37/47/19/1342374719.db2.gz RPJFYSQCYMKKHA-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP O=C(N[C@H]1CCCC[N@@H+](CC2CCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001034329975 1342403971 /nfs/dbraw/zinc/40/39/71/1342403971.db2.gz KFTSZSUVMHFMMW-PMACEKPBSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCCC[N@@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001034339389 1342413745 /nfs/dbraw/zinc/41/37/45/1342413745.db2.gz DVGYORWJWJUBKR-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](F)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444963 1342505202 /nfs/dbraw/zinc/50/52/02/1342505202.db2.gz OCCWIFVAKUCQGJ-OALUTQOASA-N 2 1 349.494 3.081 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001034464691 1342519415 /nfs/dbraw/zinc/51/94/15/1342519415.db2.gz ZWTBTNFIUVWUKB-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(N[C@H]1CCCC[N@@H+](CC2CCCCCC2)C1)C12CC[NH+](CC1)C2 ZINC001034485015 1342542772 /nfs/dbraw/zinc/54/27/72/1342542772.db2.gz ACKHVTZBIQKJEJ-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034536433 1342592685 /nfs/dbraw/zinc/59/26/85/1342592685.db2.gz FZVLIGAINBIYSS-PXNSSMCTSA-N 2 1 345.531 3.379 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034537872 1342594536 /nfs/dbraw/zinc/59/45/36/1342594536.db2.gz GGDUBQGZAXDZMO-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001034537872 1342594540 /nfs/dbraw/zinc/59/45/40/1342594540.db2.gz GGDUBQGZAXDZMO-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001034537872 1342594544 /nfs/dbraw/zinc/59/45/44/1342594544.db2.gz GGDUBQGZAXDZMO-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001034735405 1342729291 /nfs/dbraw/zinc/72/92/91/1342729291.db2.gz GRNSNJVIMWKCIP-IHPCNDPISA-N 2 1 349.563 3.458 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1ccccc1 ZINC001034792005 1342760866 /nfs/dbraw/zinc/76/08/66/1342760866.db2.gz BPUUEIRFKDRQKX-LWYYNNOASA-N 2 1 343.515 3.106 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034795671 1342762669 /nfs/dbraw/zinc/76/26/69/1342762669.db2.gz PJZRVSPLUANNRQ-UFYCRDLUSA-N 2 1 349.563 3.458 20 0 EGADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001034938226 1342844419 /nfs/dbraw/zinc/84/44/19/1342844419.db2.gz JWUXWGLTWBPRHX-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC001035013049 1342874883 /nfs/dbraw/zinc/87/48/83/1342874883.db2.gz AMZOMVSDMCFNBG-BMGDILEWSA-N 2 1 349.906 3.076 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001035071523 1342912047 /nfs/dbraw/zinc/91/20/47/1342912047.db2.gz VYISFKGVTOSPAL-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001035186442 1343001180 /nfs/dbraw/zinc/00/11/80/1343001180.db2.gz CQDZQKKIIOWSDD-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035186442 1343001183 /nfs/dbraw/zinc/00/11/83/1343001183.db2.gz CQDZQKKIIOWSDD-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035186442 1343001187 /nfs/dbraw/zinc/00/11/87/1343001187.db2.gz CQDZQKKIIOWSDD-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CC[NH+](CCC(C)C)C2)CC1 ZINC001035192316 1343006668 /nfs/dbraw/zinc/00/66/68/1343006668.db2.gz XUOHREDTDFJCEQ-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC2(CC[N@H+](CCC(C)C)C2)CC1 ZINC001035192316 1343006670 /nfs/dbraw/zinc/00/66/70/1343006670.db2.gz XUOHREDTDFJCEQ-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CCC(C)C)C2)CC1 ZINC001035192316 1343006673 /nfs/dbraw/zinc/00/66/73/1343006673.db2.gz XUOHREDTDFJCEQ-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC2(CC[N@@H+](CC3CCCC3)C2)CC1)[NH+](C)C ZINC001035196878 1343009467 /nfs/dbraw/zinc/00/94/67/1343009467.db2.gz PVTUDAQRCTZEIL-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001036180447 1343350018 /nfs/dbraw/zinc/35/00/18/1343350018.db2.gz AYQNURGTIOTDCK-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001036556387 1343552194 /nfs/dbraw/zinc/55/21/94/1343552194.db2.gz JYIKYDALMJATIX-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036833107 1343772612 /nfs/dbraw/zinc/77/26/12/1343772612.db2.gz OJIPRGONSFFMHB-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)CC[C@@H]21 ZINC001036905839 1343853392 /nfs/dbraw/zinc/85/33/92/1343853392.db2.gz PZXVHRIZOYYLJW-AEFFLSMTSA-N 2 1 347.503 3.068 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001037087081 1343971924 /nfs/dbraw/zinc/97/19/24/1343971924.db2.gz POVXGGHSPSHYAP-ROUUACIJSA-N 2 1 346.519 3.071 20 0 EGADMP CCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1CC ZINC001037934542 1344189938 /nfs/dbraw/zinc/18/99/38/1344189938.db2.gz NJUWMQSNOKCSQP-IRXDYDNUSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001038238216 1344337784 /nfs/dbraw/zinc/33/77/84/1344337784.db2.gz GJOOFHASDCWRFE-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001038238216 1344337789 /nfs/dbraw/zinc/33/77/89/1344337789.db2.gz GJOOFHASDCWRFE-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCC1 ZINC001038238216 1344337791 /nfs/dbraw/zinc/33/77/91/1344337791.db2.gz GJOOFHASDCWRFE-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248090 1344342909 /nfs/dbraw/zinc/34/29/09/1344342909.db2.gz LUXMXLXVAWKLBB-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248090 1344342912 /nfs/dbraw/zinc/34/29/12/1344342912.db2.gz LUXMXLXVAWKLBB-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248090 1344342914 /nfs/dbraw/zinc/34/29/14/1344342914.db2.gz LUXMXLXVAWKLBB-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CCCC1CCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038353691 1344393798 /nfs/dbraw/zinc/39/37/98/1344393798.db2.gz OMKCMIJOOXEALS-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CCCC1CCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038353691 1344393800 /nfs/dbraw/zinc/39/38/00/1344393800.db2.gz OMKCMIJOOXEALS-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CC[NH+]1CCCC1CCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038353691 1344393808 /nfs/dbraw/zinc/39/38/08/1344393808.db2.gz OMKCMIJOOXEALS-UXHICEINSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CC[N@H+]1CCC1CCCCCC1)C12CCC[NH+]1CCC2 ZINC001038456087 1344432721 /nfs/dbraw/zinc/43/27/21/1344432721.db2.gz VFWWAKMMNVQIBO-LJQANCHMSA-N 2 1 347.547 3.166 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001038647421 1344521645 /nfs/dbraw/zinc/52/16/45/1344521645.db2.gz SOEPBJDBQSBJSA-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001038647421 1344521646 /nfs/dbraw/zinc/52/16/46/1344521646.db2.gz SOEPBJDBQSBJSA-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCCCC1 ZINC001038909164 1344647918 /nfs/dbraw/zinc/64/79/18/1344647918.db2.gz OHJKWXSFSOEMTL-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001038909164 1344647919 /nfs/dbraw/zinc/64/79/19/1344647919.db2.gz OHJKWXSFSOEMTL-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001038909164 1344647923 /nfs/dbraw/zinc/64/79/23/1344647923.db2.gz OHJKWXSFSOEMTL-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+]1CCCC1CCC1 ZINC001039047287 1344732897 /nfs/dbraw/zinc/73/28/97/1344732897.db2.gz CTOYXZUKUNXTPY-LJQANCHMSA-N 2 1 343.515 3.133 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039133974 1344812800 /nfs/dbraw/zinc/81/28/00/1344812800.db2.gz NEUPVMGUGHODMU-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001039133974 1344812803 /nfs/dbraw/zinc/81/28/03/1344812803.db2.gz NEUPVMGUGHODMU-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001039133974 1344812808 /nfs/dbraw/zinc/81/28/08/1344812808.db2.gz NEUPVMGUGHODMU-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001039141137 1344821677 /nfs/dbraw/zinc/82/16/77/1344821677.db2.gz QWUDRSYHRZQMQF-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001039141137 1344821680 /nfs/dbraw/zinc/82/16/80/1344821680.db2.gz QWUDRSYHRZQMQF-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001039141137 1344821685 /nfs/dbraw/zinc/82/16/85/1344821685.db2.gz QWUDRSYHRZQMQF-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167055 1344853221 /nfs/dbraw/zinc/85/32/21/1344853221.db2.gz KXEFQRPPAJDTPM-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173110 1344862976 /nfs/dbraw/zinc/86/29/76/1344862976.db2.gz NUFRBWNREWTRRE-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039205094 1344916727 /nfs/dbraw/zinc/91/67/27/1344916727.db2.gz KHMBJYTYVOJOHA-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039205094 1344916732 /nfs/dbraw/zinc/91/67/32/1344916732.db2.gz KHMBJYTYVOJOHA-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039205094 1344916737 /nfs/dbraw/zinc/91/67/37/1344916737.db2.gz KHMBJYTYVOJOHA-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039234369 1344954767 /nfs/dbraw/zinc/95/47/67/1344954767.db2.gz IZXSWCLUVOGIRJ-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039234371 1344955093 /nfs/dbraw/zinc/95/50/93/1344955093.db2.gz IZXSWCLUVOGIRJ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001039235038 1344955809 /nfs/dbraw/zinc/95/58/09/1344955809.db2.gz MYLCADOGPYXLEZ-QZTJIDSGSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](C(C)C)C1 ZINC001039235038 1344955814 /nfs/dbraw/zinc/95/58/14/1344955814.db2.gz MYLCADOGPYXLEZ-QZTJIDSGSA-N 2 1 346.519 3.118 20 0 EGADMP CCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235320 1344956052 /nfs/dbraw/zinc/95/60/52/1344956052.db2.gz WFTKGWOFKKDLSU-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039235320 1344956056 /nfs/dbraw/zinc/95/60/56/1344956056.db2.gz WFTKGWOFKKDLSU-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039235320 1344956059 /nfs/dbraw/zinc/95/60/59/1344956059.db2.gz WFTKGWOFKKDLSU-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039237248 1344959678 /nfs/dbraw/zinc/95/96/78/1344959678.db2.gz GATXCWMGXDNUMT-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039258571 1344986870 /nfs/dbraw/zinc/98/68/70/1344986870.db2.gz XZVCSEVASYXIBT-PMACEKPBSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001039448016 1345072578 /nfs/dbraw/zinc/07/25/78/1345072578.db2.gz RCCLUUIXWNQULP-AQNXPRMDSA-N 2 1 349.563 3.362 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001039528569 1345131055 /nfs/dbraw/zinc/13/10/55/1345131055.db2.gz PIUBDSYTOPLPLL-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001039528569 1345131056 /nfs/dbraw/zinc/13/10/56/1345131056.db2.gz PIUBDSYTOPLPLL-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC001039528569 1345131059 /nfs/dbraw/zinc/13/10/59/1345131059.db2.gz PIUBDSYTOPLPLL-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001039685888 1345158875 /nfs/dbraw/zinc/15/88/75/1345158875.db2.gz RSEALRLISKZGLA-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001039685888 1345158878 /nfs/dbraw/zinc/15/88/78/1345158878.db2.gz RSEALRLISKZGLA-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001039685888 1345158882 /nfs/dbraw/zinc/15/88/82/1345158882.db2.gz RSEALRLISKZGLA-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001039920269 1345245819 /nfs/dbraw/zinc/24/58/19/1345245819.db2.gz UUTCSSNUQJANJG-ZCNNSNEGSA-N 2 1 347.547 3.282 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CC1 ZINC001039969665 1345272065 /nfs/dbraw/zinc/27/20/65/1345272065.db2.gz QZNWHZXFWIFBHW-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040242219 1345392415 /nfs/dbraw/zinc/39/24/15/1345392415.db2.gz XGZGWJBKNDETOL-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001040242219 1345392417 /nfs/dbraw/zinc/39/24/17/1345392417.db2.gz XGZGWJBKNDETOL-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001040242219 1345392420 /nfs/dbraw/zinc/39/24/20/1345392420.db2.gz XGZGWJBKNDETOL-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001040275155 1345407210 /nfs/dbraw/zinc/40/72/10/1345407210.db2.gz JADCASWQXQFYJC-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040275155 1345407213 /nfs/dbraw/zinc/40/72/13/1345407213.db2.gz JADCASWQXQFYJC-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040275155 1345407214 /nfs/dbraw/zinc/40/72/14/1345407214.db2.gz JADCASWQXQFYJC-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545932 1345540285 /nfs/dbraw/zinc/54/02/85/1345540285.db2.gz YUEJOUSYJPQQIA-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CCC(C)C)CC2 ZINC001040722943 1345570944 /nfs/dbraw/zinc/57/09/44/1345570944.db2.gz GPTDCRYEYWEFJA-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001040733236 1345572373 /nfs/dbraw/zinc/57/23/73/1345572373.db2.gz QQRFJRAMUONNLH-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041299705 1345696401 /nfs/dbraw/zinc/69/64/01/1345696401.db2.gz DPNAOFJBNXSBTP-YLJYHZDGSA-N 2 1 346.519 3.121 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001041299705 1345696403 /nfs/dbraw/zinc/69/64/03/1345696403.db2.gz DPNAOFJBNXSBTP-YLJYHZDGSA-N 2 1 346.519 3.121 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041769411 1345843586 /nfs/dbraw/zinc/84/35/86/1345843586.db2.gz OMCOTIXGZWRAJZ-WIYYLYMNSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041845234 1345871712 /nfs/dbraw/zinc/87/17/12/1345871712.db2.gz VVJKSWBEENUGFR-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042085181 1345940485 /nfs/dbraw/zinc/94/04/85/1345940485.db2.gz LJKVREPBTATKOC-RDJZCZTQSA-N 2 1 349.544 3.002 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001042085181 1345940486 /nfs/dbraw/zinc/94/04/86/1345940486.db2.gz LJKVREPBTATKOC-RDJZCZTQSA-N 2 1 349.544 3.002 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001042715124 1346109627 /nfs/dbraw/zinc/10/96/27/1346109627.db2.gz NURREQHORIHDMG-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001042715124 1346109628 /nfs/dbraw/zinc/10/96/28/1346109628.db2.gz NURREQHORIHDMG-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2C)C1 ZINC001042848482 1346120788 /nfs/dbraw/zinc/12/07/88/1346120788.db2.gz PANSOLNNMHOMNF-XLIONFOSSA-N 2 1 343.515 3.073 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2C)C1 ZINC001042848482 1346120789 /nfs/dbraw/zinc/12/07/89/1346120789.db2.gz PANSOLNNMHOMNF-XLIONFOSSA-N 2 1 343.515 3.073 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCC(C)CC2)C1 ZINC001044006081 1346232530 /nfs/dbraw/zinc/23/25/30/1346232530.db2.gz MCZXGALNARGZLW-QLOJAFMTSA-N 2 1 349.563 3.218 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001044335219 1346301352 /nfs/dbraw/zinc/30/13/52/1346301352.db2.gz DKQVADYIIKEKEB-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044629699 1346387428 /nfs/dbraw/zinc/38/74/28/1346387428.db2.gz OSOMAEOJEGTBLN-WMZOPIPTSA-N 2 1 347.547 3.020 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C[C@@H]1C ZINC001044865071 1346449416 /nfs/dbraw/zinc/44/94/16/1346449416.db2.gz NDBISAQNFRSQLV-QFBILLFUSA-N 2 1 346.519 3.131 20 0 EGADMP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001045438396 1346594110 /nfs/dbraw/zinc/59/41/10/1346594110.db2.gz SCOKCEWYEYHQCZ-MSOLQXFVSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001045475521 1346603218 /nfs/dbraw/zinc/60/32/18/1346603218.db2.gz JZSFZCIPCRVEQW-RTBURBONSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC2(C)CC[NH+](CC3=CCCCC3)CC2)CC[N@H+]1C ZINC001045535046 1346620397 /nfs/dbraw/zinc/62/03/97/1346620397.db2.gz SVNHLFLUDWNBKT-HKUYNNGSSA-N 2 1 347.547 3.188 20 0 EGADMP Cc1c(C(=O)N[C@]2(C)CC[N@@H+](CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001046435681 1346975038 /nfs/dbraw/zinc/97/50/38/1346975038.db2.gz IHCYAGPNSSNPKB-HXUWFJFHSA-N 2 1 342.487 3.273 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046587746 1347027795 /nfs/dbraw/zinc/02/77/95/1347027795.db2.gz HALQVXFFHHDQAV-TZIWHRDSSA-N 2 1 343.515 3.060 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCC3CCCCCC3)C2)CC1 ZINC001046595751 1347031942 /nfs/dbraw/zinc/03/19/42/1347031942.db2.gz NOJVKKYLNNPTGM-OAQYLSRUSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CC1)C2)[NH+]1CCCCC1 ZINC001047072981 1347201466 /nfs/dbraw/zinc/20/14/66/1347201466.db2.gz FMNBHSQUVOCVCR-OTWHNJEPSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCC(C)(C)C)C3)CC1 ZINC001047159866 1347225145 /nfs/dbraw/zinc/22/51/45/1347225145.db2.gz RQTPJHLMHNZDMN-FHWLQOOXSA-N 2 1 349.563 3.124 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC1CCCC1)C2 ZINC001047201846 1347241556 /nfs/dbraw/zinc/24/15/56/1347241556.db2.gz VAQVNNDXJPULKX-ZCNNSNEGSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047257778 1347280849 /nfs/dbraw/zinc/28/08/49/1347280849.db2.gz UDJXLDQZFIFCGY-AZUAARDMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC2CCC2)C1 ZINC001047988528 1347435160 /nfs/dbraw/zinc/43/51/60/1347435160.db2.gz JMAJLWJLCCUARU-FUHWJXTLSA-N 2 1 346.519 3.023 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC001048530259 1347579619 /nfs/dbraw/zinc/57/96/19/1347579619.db2.gz MIEJPZUNRHNBHK-IYWMVGAKSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001048530259 1347579621 /nfs/dbraw/zinc/57/96/21/1347579621.db2.gz MIEJPZUNRHNBHK-IYWMVGAKSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001048530259 1347579623 /nfs/dbraw/zinc/57/96/23/1347579623.db2.gz MIEJPZUNRHNBHK-IYWMVGAKSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048538215 1347583240 /nfs/dbraw/zinc/58/32/40/1347583240.db2.gz MONXXPZNJKYQNS-OUUBHVDSSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[N@@H+]31)C2 ZINC001048538215 1347583242 /nfs/dbraw/zinc/58/32/42/1347583242.db2.gz MONXXPZNJKYQNS-OUUBHVDSSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)C2 ZINC001048538215 1347583245 /nfs/dbraw/zinc/58/32/45/1347583245.db2.gz MONXXPZNJKYQNS-OUUBHVDSSA-N 2 1 347.547 3.019 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1occc1C[NH+](C)C)C2 ZINC001048556857 1347591675 /nfs/dbraw/zinc/59/16/75/1347591675.db2.gz WNQJHXIFZCIJPA-VBUUOAMHSA-N 2 1 347.503 3.114 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CCCCC3)CC2)C1 ZINC001048624227 1347623122 /nfs/dbraw/zinc/62/31/22/1347623122.db2.gz KZZSKRZDVMQDCO-VAMGGRTRSA-N 2 1 349.563 3.031 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCCCC1 ZINC001049370613 1347808584 /nfs/dbraw/zinc/80/85/84/1347808584.db2.gz XFLJJWIJJCZMLP-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCCCC1 ZINC001049370613 1347808588 /nfs/dbraw/zinc/80/85/88/1347808588.db2.gz XFLJJWIJJCZMLP-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCCCC1 ZINC001049370613 1347808592 /nfs/dbraw/zinc/80/85/92/1347808592.db2.gz XFLJJWIJJCZMLP-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CC1)[NH+]1CCCCC1 ZINC001049478508 1347868922 /nfs/dbraw/zinc/86/89/22/1347868922.db2.gz PCMANKWLSMGROU-RTBURBONSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049486289 1347871459 /nfs/dbraw/zinc/87/14/59/1347871459.db2.gz RBSXVCKCNYLTDO-KZNAEPCWSA-N 2 1 346.519 3.262 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049486289 1347871462 /nfs/dbraw/zinc/87/14/62/1347871462.db2.gz RBSXVCKCNYLTDO-KZNAEPCWSA-N 2 1 346.519 3.262 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC1CCC1)[NH+](C)C ZINC001049533126 1347894995 /nfs/dbraw/zinc/89/49/95/1347894995.db2.gz MOONIKFQWRGSOL-UFYCRDLUSA-N 2 1 349.563 3.218 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CC=C(C)C)C1 ZINC001049664482 1347963298 /nfs/dbraw/zinc/96/32/98/1347963298.db2.gz QLMZQQJPKNICFG-UFYCRDLUSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC=C(C)C)C1 ZINC001049664482 1347963299 /nfs/dbraw/zinc/96/32/99/1347963299.db2.gz QLMZQQJPKNICFG-UFYCRDLUSA-N 2 1 347.547 3.140 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC=C(C)C)C1 ZINC001049664482 1347963302 /nfs/dbraw/zinc/96/33/02/1347963302.db2.gz QLMZQQJPKNICFG-UFYCRDLUSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CCCC1)[NH+](C)C ZINC001049709782 1347985502 /nfs/dbraw/zinc/98/55/02/1347985502.db2.gz JNMVWVYNHIRHDV-HSALFYBXSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049752034 1348001166 /nfs/dbraw/zinc/00/11/66/1348001166.db2.gz FMNSYGCYYYYWFE-BZSNNMDCSA-N 2 1 346.519 3.118 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049752034 1348001168 /nfs/dbraw/zinc/00/11/68/1348001168.db2.gz FMNSYGCYYYYWFE-BZSNNMDCSA-N 2 1 346.519 3.118 20 0 EGADMP C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCC1)[NH+]1CCCCCC1 ZINC001049764531 1348009546 /nfs/dbraw/zinc/00/95/46/1348009546.db2.gz DFUVHMFUJVNMDX-RLLQIKCJSA-N 2 1 347.547 3.116 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1=CCCCC1 ZINC001049897880 1348098700 /nfs/dbraw/zinc/09/87/00/1348098700.db2.gz VFPVCBRWFJBCGR-WOJBJXKFSA-N 2 1 345.531 3.038 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050065658 1348171055 /nfs/dbraw/zinc/17/10/55/1348171055.db2.gz FIGAUGHZWJEQSS-XUVXKRRUSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050065658 1348171058 /nfs/dbraw/zinc/17/10/58/1348171058.db2.gz FIGAUGHZWJEQSS-XUVXKRRUSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001050065658 1348171060 /nfs/dbraw/zinc/17/10/60/1348171060.db2.gz FIGAUGHZWJEQSS-XUVXKRRUSA-N 2 1 349.563 3.218 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001050331450 1348229237 /nfs/dbraw/zinc/22/92/37/1348229237.db2.gz OZZDVAJMDKVTAM-VAMGGRTRSA-N 2 1 349.563 3.316 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC001050385445 1348246220 /nfs/dbraw/zinc/24/62/20/1348246220.db2.gz FWKHSHHOFHQJGZ-LNLFQRSKSA-N 2 1 349.563 3.029 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001050687076 1348327436 /nfs/dbraw/zinc/32/74/36/1348327436.db2.gz GAFDIGMHGFQDEG-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052380691 1348536673 /nfs/dbraw/zinc/53/66/73/1348536673.db2.gz DNVFFVROJXILFR-MOPGFXCFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052380691 1348536674 /nfs/dbraw/zinc/53/66/74/1348536674.db2.gz DNVFFVROJXILFR-MOPGFXCFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052380691 1348536675 /nfs/dbraw/zinc/53/66/75/1348536675.db2.gz DNVFFVROJXILFR-MOPGFXCFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052380694 1348536949 /nfs/dbraw/zinc/53/69/49/1348536949.db2.gz DNVFFVROJXILFR-OALUTQOASA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052380694 1348536951 /nfs/dbraw/zinc/53/69/51/1348536951.db2.gz DNVFFVROJXILFR-OALUTQOASA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052380694 1348536952 /nfs/dbraw/zinc/53/69/52/1348536952.db2.gz DNVFFVROJXILFR-OALUTQOASA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515201 1348563865 /nfs/dbraw/zinc/56/38/65/1348563865.db2.gz BHGYRHRQPQIQKL-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515201 1348563868 /nfs/dbraw/zinc/56/38/68/1348563868.db2.gz BHGYRHRQPQIQKL-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052515201 1348563869 /nfs/dbraw/zinc/56/38/69/1348563869.db2.gz BHGYRHRQPQIQKL-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052658474 1348616717 /nfs/dbraw/zinc/61/67/17/1348616717.db2.gz OOPDZAKKQLHZPU-YTQUADARSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001052658474 1348616720 /nfs/dbraw/zinc/61/67/20/1348616720.db2.gz OOPDZAKKQLHZPU-YTQUADARSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001052658474 1348616722 /nfs/dbraw/zinc/61/67/22/1348616722.db2.gz OOPDZAKKQLHZPU-YTQUADARSA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001052663015 1348618738 /nfs/dbraw/zinc/61/87/38/1348618738.db2.gz MKEDWTZHDSZATJ-QGZVFWFLSA-N 2 1 349.519 3.362 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC001052765423 1348669939 /nfs/dbraw/zinc/66/99/39/1348669939.db2.gz ZEIPCTFFJGIFOW-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@@H+](CC3CC(C)(C)C3)CC2)CC1 ZINC001052767857 1348671435 /nfs/dbraw/zinc/67/14/35/1348671435.db2.gz YRBJXPHLGJPVHK-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](F)CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052786973 1348679463 /nfs/dbraw/zinc/67/94/63/1348679463.db2.gz FSAMMVCIQKEEGU-APWZRJJASA-N 2 1 349.494 3.081 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C/C=C/Cl)CC2)cc1 ZINC001052787039 1348679696 /nfs/dbraw/zinc/67/96/96/1348679696.db2.gz HEOUTIGROVARQS-PPCLGBEZSA-N 2 1 349.906 3.085 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001052937575 1348756691 /nfs/dbraw/zinc/75/66/91/1348756691.db2.gz MAXPFYVRBYCUHV-ICSRJNTNSA-N 2 1 343.515 3.123 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053028465 1348827142 /nfs/dbraw/zinc/82/71/42/1348827142.db2.gz MEABUGWMKNKLLF-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053028465 1348827146 /nfs/dbraw/zinc/82/71/46/1348827146.db2.gz MEABUGWMKNKLLF-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053028465 1348827148 /nfs/dbraw/zinc/82/71/48/1348827148.db2.gz MEABUGWMKNKLLF-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001053038976 1348840275 /nfs/dbraw/zinc/84/02/75/1348840275.db2.gz BLKHCBZJCWJDAR-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001053038976 1348840279 /nfs/dbraw/zinc/84/02/79/1348840279.db2.gz BLKHCBZJCWJDAR-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001053038976 1348840281 /nfs/dbraw/zinc/84/02/81/1348840281.db2.gz BLKHCBZJCWJDAR-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050624 1348853563 /nfs/dbraw/zinc/85/35/63/1348853563.db2.gz GSRIJBNYYZPBLF-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053105595 1348943469 /nfs/dbraw/zinc/94/34/69/1348943469.db2.gz PYDMZEMHILSREH-WOJBJXKFSA-N 2 1 349.563 3.366 20 0 EGADMP CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107568 1348946078 /nfs/dbraw/zinc/94/60/78/1348946078.db2.gz JJPACXDVFLBGSB-MOPGFXCFSA-N 2 1 346.519 3.085 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001053107568 1348946083 /nfs/dbraw/zinc/94/60/83/1348946083.db2.gz JJPACXDVFLBGSB-MOPGFXCFSA-N 2 1 346.519 3.085 20 0 EGADMP CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054205823 1349207484 /nfs/dbraw/zinc/20/74/84/1349207484.db2.gz YGNFHFPVZLYKOG-HXUWFJFHSA-N 2 1 346.519 3.121 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001054205823 1349207487 /nfs/dbraw/zinc/20/74/87/1349207487.db2.gz YGNFHFPVZLYKOG-HXUWFJFHSA-N 2 1 346.519 3.121 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc2c(c1)C[NH+](CC)C2 ZINC001054289999 1349294583 /nfs/dbraw/zinc/29/45/83/1349294583.db2.gz YFSQDHGQTZTPQW-HXUWFJFHSA-N 2 1 343.515 3.293 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](CC)C2 ZINC001054289999 1349294585 /nfs/dbraw/zinc/29/45/85/1349294585.db2.gz YFSQDHGQTZTPQW-HXUWFJFHSA-N 2 1 343.515 3.293 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NCc1ccc2c(c1)C[N@H+](CC)C2 ZINC001054289999 1349294588 /nfs/dbraw/zinc/29/45/88/1349294588.db2.gz YFSQDHGQTZTPQW-HXUWFJFHSA-N 2 1 343.515 3.293 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)c1cccc(Cl)c1 ZINC001054296784 1349301707 /nfs/dbraw/zinc/30/17/07/1349301707.db2.gz LHZIEOIPYZVZFD-BMGDILEWSA-N 2 1 349.906 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCCC3CCC3)C[C@H]2C)C1 ZINC001080310949 1357568984 /nfs/dbraw/zinc/56/89/84/1357568984.db2.gz KTOIJYFASQCBMZ-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCCC3CCC3)C[C@H]2C)C1 ZINC001080310949 1357568986 /nfs/dbraw/zinc/56/89/86/1357568986.db2.gz KTOIJYFASQCBMZ-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCC3CCC3)C[C@H]2C)C1 ZINC001080310949 1357568988 /nfs/dbraw/zinc/56/89/88/1357568988.db2.gz KTOIJYFASQCBMZ-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001080557166 1357677864 /nfs/dbraw/zinc/67/78/64/1357677864.db2.gz IRIJYKKKPUMPQZ-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C ZINC001080557166 1357677866 /nfs/dbraw/zinc/67/78/66/1357677866.db2.gz IRIJYKKKPUMPQZ-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C ZINC001080557166 1357677870 /nfs/dbraw/zinc/67/78/70/1357677870.db2.gz IRIJYKKKPUMPQZ-MISYRCLQSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001080557369 1357678306 /nfs/dbraw/zinc/67/83/06/1357678306.db2.gz RBKAHBWLFPHBBD-RLLQIKCJSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001080557369 1357678311 /nfs/dbraw/zinc/67/83/11/1357678311.db2.gz RBKAHBWLFPHBBD-RLLQIKCJSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C ZINC001080557369 1357678313 /nfs/dbraw/zinc/67/83/13/1357678313.db2.gz RBKAHBWLFPHBBD-RLLQIKCJSA-N 2 1 347.547 3.186 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C(C)C)C1)c1ccccc1 ZINC001183138506 1387268686 /nfs/dbraw/zinc/26/86/86/1387268686.db2.gz XDPFFSCHJNXITF-YFVAEKQCSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071545504 1354757518 /nfs/dbraw/zinc/75/75/18/1354757518.db2.gz AQZAWSWYJRCDOW-RDJZCZTQSA-N 2 1 349.544 3.359 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071545504 1354757521 /nfs/dbraw/zinc/75/75/21/1354757521.db2.gz AQZAWSWYJRCDOW-RDJZCZTQSA-N 2 1 349.544 3.359 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@H+]1CCC(C)(C)C ZINC001071653007 1354828098 /nfs/dbraw/zinc/82/80/98/1354828098.db2.gz RBTNADLZCXTKBZ-NVXWUHKLSA-N 2 1 342.487 3.353 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@H+]1Cc1ccccc1 ZINC001071685534 1354851501 /nfs/dbraw/zinc/85/15/01/1354851501.db2.gz DAQNQVFESMJXLL-VQIMIIECSA-N 2 1 348.450 3.117 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001071689979 1354853220 /nfs/dbraw/zinc/85/32/20/1354853220.db2.gz SPDBOUAXMGJSNK-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001071689979 1354853225 /nfs/dbraw/zinc/85/32/25/1354853225.db2.gz SPDBOUAXMGJSNK-APWZRJJASA-N 2 1 346.519 3.131 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@H+]1CCC1CC1 ZINC001072099493 1355129301 /nfs/dbraw/zinc/12/93/01/1355129301.db2.gz RMYQYLDCHORYHY-QFBILLFUSA-N 2 1 343.515 3.131 20 0 EGADMP CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1C ZINC001072109356 1355135857 /nfs/dbraw/zinc/13/58/57/1355135857.db2.gz FSVXPWDFDQODSS-HOTGVXAUSA-N 2 1 335.492 3.114 20 0 EGADMP CCC(CC)C[N@H+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001073035360 1355563505 /nfs/dbraw/zinc/56/35/05/1355563505.db2.gz FEQYLIGVQKXMDD-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001074025988 1356040228 /nfs/dbraw/zinc/04/02/28/1356040228.db2.gz BGXGGSBGRBTTCF-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCC1)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001074025988 1356040231 /nfs/dbraw/zinc/04/02/31/1356040231.db2.gz BGXGGSBGRBTTCF-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCC1)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001074025988 1356040233 /nfs/dbraw/zinc/04/02/33/1356040233.db2.gz BGXGGSBGRBTTCF-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001074063204 1356061217 /nfs/dbraw/zinc/06/12/17/1356061217.db2.gz IRAPKMSDFGYJRR-CTWPCTMYSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[NH+](C)C[C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001074063204 1356061221 /nfs/dbraw/zinc/06/12/21/1356061221.db2.gz IRAPKMSDFGYJRR-CTWPCTMYSA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC(C[NH+](C)C[C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001074063204 1356061229 /nfs/dbraw/zinc/06/12/29/1356061229.db2.gz IRAPKMSDFGYJRR-CTWPCTMYSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001074092103 1356078142 /nfs/dbraw/zinc/07/81/42/1356078142.db2.gz VBLUPJYWVBJTKP-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001074092103 1356078146 /nfs/dbraw/zinc/07/81/46/1356078146.db2.gz VBLUPJYWVBJTKP-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001074092103 1356078149 /nfs/dbraw/zinc/07/81/49/1356078149.db2.gz VBLUPJYWVBJTKP-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCC2CC2)CCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001074653015 1356220905 /nfs/dbraw/zinc/22/09/05/1356220905.db2.gz SHYMVLLFXCNJOT-HQRMLTQVSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)[C@@H]1C ZINC001074649272 1356221358 /nfs/dbraw/zinc/22/13/58/1356221358.db2.gz UJUXVWLGJMPTGL-IHPCNDPISA-N 2 1 349.563 3.409 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001075457540 1356389415 /nfs/dbraw/zinc/38/94/15/1356389415.db2.gz VLKMRXXSBXXJTF-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461540 1356395313 /nfs/dbraw/zinc/39/53/13/1356395313.db2.gz KQCANQJXTVCDGQ-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461540 1356395314 /nfs/dbraw/zinc/39/53/14/1356395314.db2.gz KQCANQJXTVCDGQ-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461540 1356395317 /nfs/dbraw/zinc/39/53/17/1356395317.db2.gz KQCANQJXTVCDGQ-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCCC2)CC1 ZINC001097774660 1363117946 /nfs/dbraw/zinc/11/79/46/1363117946.db2.gz BPQDDOPSILDKLV-AQNXPRMDSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC001075881161 1356437967 /nfs/dbraw/zinc/43/79/67/1356437967.db2.gz GHVJHGHBAOETSN-GBESFXJTSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001075881161 1356437977 /nfs/dbraw/zinc/43/79/77/1356437977.db2.gz GHVJHGHBAOETSN-GBESFXJTSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001075881161 1356437982 /nfs/dbraw/zinc/43/79/82/1356437982.db2.gz GHVJHGHBAOETSN-GBESFXJTSA-N 2 1 349.563 3.218 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001183254373 1387285814 /nfs/dbraw/zinc/28/58/14/1387285814.db2.gz DSLUVULHZDYGLX-KAGICYHLSA-N 2 1 335.536 3.186 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001076627117 1356638002 /nfs/dbraw/zinc/63/80/02/1356638002.db2.gz RBYRSJWZHTUOMI-FUHWJXTLSA-N 2 1 347.503 3.068 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001183255146 1387286294 /nfs/dbraw/zinc/28/62/94/1387286294.db2.gz KGZFXVVEQFVZOJ-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084345097 1358197251 /nfs/dbraw/zinc/19/72/51/1358197251.db2.gz ULQWOTDGXRLCSV-QZTJIDSGSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853164 1358328716 /nfs/dbraw/zinc/32/87/16/1358328716.db2.gz OTJRECLDJCOFQU-AQNXPRMDSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(CC)CC)[C@H]2C1 ZINC001084952634 1358353509 /nfs/dbraw/zinc/35/35/09/1358353509.db2.gz BCXBIXXUQCKZEE-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(CC)CC)[C@H]2C1 ZINC001084952634 1358353513 /nfs/dbraw/zinc/35/35/13/1358353513.db2.gz BCXBIXXUQCKZEE-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(CC)CC)[C@H]2C1 ZINC001084952634 1358353518 /nfs/dbraw/zinc/35/35/18/1358353518.db2.gz BCXBIXXUQCKZEE-AQNXPRMDSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101352 1358391450 /nfs/dbraw/zinc/39/14/50/1358391450.db2.gz GIOKDLUJOPGCOJ-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001085153005 1358413821 /nfs/dbraw/zinc/41/38/21/1358413821.db2.gz YRALPFFNWIHLBI-GUDVDZBRSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC001085196879 1358431799 /nfs/dbraw/zinc/43/17/99/1358431799.db2.gz RCXINSVUINSPKL-KZNAEPCWSA-N 2 1 349.544 3.138 20 0 EGADMP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085199408 1358432208 /nfs/dbraw/zinc/43/22/08/1358432208.db2.gz KAQZSJYPJPDOTD-MISYRCLQSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001085332234 1358469899 /nfs/dbraw/zinc/46/98/99/1358469899.db2.gz POYUYLSFJLKFNU-DFQSSKMNSA-N 2 1 349.563 3.458 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001085423563 1358495459 /nfs/dbraw/zinc/49/54/59/1358495459.db2.gz WGMINPKPHZAWRM-RTBURBONSA-N 2 1 344.503 3.099 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085593833 1358619934 /nfs/dbraw/zinc/61/99/34/1358619934.db2.gz SGEIXBZAYCSNFN-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001085593833 1358619937 /nfs/dbraw/zinc/61/99/37/1358619937.db2.gz SGEIXBZAYCSNFN-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001085593833 1358619940 /nfs/dbraw/zinc/61/99/40/1358619940.db2.gz SGEIXBZAYCSNFN-WOJBJXKFSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085593832 1358620443 /nfs/dbraw/zinc/62/04/43/1358620443.db2.gz SGEIXBZAYCSNFN-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001085593832 1358620447 /nfs/dbraw/zinc/62/04/47/1358620447.db2.gz SGEIXBZAYCSNFN-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001085593832 1358620450 /nfs/dbraw/zinc/62/04/50/1358620450.db2.gz SGEIXBZAYCSNFN-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CC1CCCC1)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085639388 1358652878 /nfs/dbraw/zinc/65/28/78/1358652878.db2.gz NRTBXGZBMAKAHM-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@H]1CC[NH+]1CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639388 1358652882 /nfs/dbraw/zinc/65/28/82/1358652882.db2.gz NRTBXGZBMAKAHM-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C[C@H]1CC[NH+]1CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085639388 1358652884 /nfs/dbraw/zinc/65/28/84/1358652884.db2.gz NRTBXGZBMAKAHM-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP O=C(CCC[NH+]1CCCC1)NC[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001323354497 1387348775 /nfs/dbraw/zinc/34/87/75/1387348775.db2.gz BBFSMTTYMQUNAV-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2=CCCCC2)C1 ZINC001085778806 1358753970 /nfs/dbraw/zinc/75/39/70/1358753970.db2.gz HYUWYVGOENFONL-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC2=CCCCC2)C1 ZINC001085778806 1358753975 /nfs/dbraw/zinc/75/39/75/1358753975.db2.gz HYUWYVGOENFONL-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC2=CCCCC2)C1 ZINC001085778806 1358753979 /nfs/dbraw/zinc/75/39/79/1358753979.db2.gz HYUWYVGOENFONL-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001183826035 1387354720 /nfs/dbraw/zinc/35/47/20/1387354720.db2.gz FMFXOOYSLDBRJJ-DKRLNXSXSA-N 2 1 335.536 3.186 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085988125 1358938855 /nfs/dbraw/zinc/93/88/55/1358938855.db2.gz WGHLNMOPZJLAMA-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001085988125 1358938858 /nfs/dbraw/zinc/93/88/58/1358938858.db2.gz WGHLNMOPZJLAMA-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001085988125 1358938860 /nfs/dbraw/zinc/93/88/60/1358938860.db2.gz WGHLNMOPZJLAMA-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CCC2)o1 ZINC001085994464 1358949440 /nfs/dbraw/zinc/94/94/40/1358949440.db2.gz LXWRYUFLUUDSQB-KRWDZBQOSA-N 2 1 347.503 3.068 20 0 EGADMP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001086399394 1359087400 /nfs/dbraw/zinc/08/74/00/1359087400.db2.gz AGLVOUGKYLIKEH-WTGUMLROSA-N 2 1 347.547 3.068 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC001086403189 1359088563 /nfs/dbraw/zinc/08/85/63/1359088563.db2.gz ZECLESJSAFSQRG-VBSBHUPXSA-N 2 1 343.515 3.106 20 0 EGADMP O=C(NC[C@H]1CC[C@@H]([NH2+]CC2CCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001086717428 1359190690 /nfs/dbraw/zinc/19/06/90/1359190690.db2.gz XHQBLMNPYYPFDB-NSHGMRRFSA-N 2 1 347.547 3.068 20 0 EGADMP O=C(NC[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001086717047 1359190862 /nfs/dbraw/zinc/19/08/62/1359190862.db2.gz DAPWYMUOHGYCHR-NSHGMRRFSA-N 2 1 347.547 3.068 20 0 EGADMP C[C@@H]1CC2(CN1C(=O)[C@@H]1CCC[N@H+]1C)CC[NH+](CCC(C)(C)C)CC2 ZINC001086910439 1359238247 /nfs/dbraw/zinc/23/82/47/1359238247.db2.gz TWPKTTFJQOVABP-MSOLQXFVSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086921156 1359248337 /nfs/dbraw/zinc/24/83/37/1359248337.db2.gz IYQBXNIVULZDJJ-RBUKOAKNSA-N 2 1 349.563 3.218 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC2(C[C@H]1C)CC[NH+](CC)CC2 ZINC001086925367 1359250979 /nfs/dbraw/zinc/25/09/79/1359250979.db2.gz VFUKVXORKGTBIG-DLBZAZTESA-N 2 1 346.519 3.120 20 0 EGADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001087175408 1359313348 /nfs/dbraw/zinc/31/33/48/1359313348.db2.gz MHPNGWIVCYFIFF-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087318428 1359409614 /nfs/dbraw/zinc/40/96/14/1359409614.db2.gz XRXFVEPWLSUNMA-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@H+]1CCC(C)(C)C ZINC001087569935 1359535460 /nfs/dbraw/zinc/53/54/60/1359535460.db2.gz TUHZMNTUBJWQCA-RCCFBDPRSA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CCC(C)(C)C ZINC001087569935 1359535463 /nfs/dbraw/zinc/53/54/63/1359535463.db2.gz TUHZMNTUBJWQCA-RCCFBDPRSA-N 2 1 337.552 3.265 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC[NH+]1CCC(C)(C)C ZINC001087569935 1359535465 /nfs/dbraw/zinc/53/54/65/1359535465.db2.gz TUHZMNTUBJWQCA-RCCFBDPRSA-N 2 1 337.552 3.265 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1CC ZINC001087660186 1359576505 /nfs/dbraw/zinc/57/65/05/1359576505.db2.gz XNTBYMDEMXHKIJ-RBUKOAKNSA-N 2 1 342.487 3.353 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CCCC1CCC1 ZINC001087728292 1359614209 /nfs/dbraw/zinc/61/42/09/1359614209.db2.gz OYJUOUHMSXSLHZ-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CCCC1CCC1 ZINC001087728292 1359614214 /nfs/dbraw/zinc/61/42/14/1359614214.db2.gz OYJUOUHMSXSLHZ-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CCCC1CCC1 ZINC001087728292 1359614216 /nfs/dbraw/zinc/61/42/16/1359614216.db2.gz OYJUOUHMSXSLHZ-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[N@H+]1CC=C(C)C ZINC001087781229 1359641477 /nfs/dbraw/zinc/64/14/77/1359641477.db2.gz YCXHEIDTOIODKT-RBUKOAKNSA-N 2 1 335.536 3.042 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064718 1359740506 /nfs/dbraw/zinc/74/05/06/1359740506.db2.gz RQGHUENLZKILLI-MSOLQXFVSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212725 1359797552 /nfs/dbraw/zinc/79/75/52/1359797552.db2.gz LCLLTCQWMCFCNZ-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001088323518 1359830667 /nfs/dbraw/zinc/83/06/67/1359830667.db2.gz QXHRSOFJSKGVCX-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCCCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001088347781 1359834152 /nfs/dbraw/zinc/83/41/52/1359834152.db2.gz BUYFXLBQBUIQKK-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCCC[C@H]([NH2+]CCC3CCCC3)C2)C1 ZINC001088381632 1359865267 /nfs/dbraw/zinc/86/52/67/1359865267.db2.gz JEODMZPGRCCHDO-ICSRJNTNSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001323693318 1387423074 /nfs/dbraw/zinc/42/30/74/1387423074.db2.gz MECYXPFOAUCTOZ-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1)c1ccccc1 ZINC001088431013 1359898376 /nfs/dbraw/zinc/89/83/76/1359898376.db2.gz DWRATJKIXPEEFR-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001088622267 1359993976 /nfs/dbraw/zinc/99/39/76/1359993976.db2.gz OHFJSBGUFWQBCN-RLLQIKCJSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H]1C ZINC001088622267 1359993981 /nfs/dbraw/zinc/99/39/81/1359993981.db2.gz OHFJSBGUFWQBCN-RLLQIKCJSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)[C@@H]1C ZINC001088622267 1359993985 /nfs/dbraw/zinc/99/39/85/1359993985.db2.gz OHFJSBGUFWQBCN-RLLQIKCJSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CC1CCCCCC1 ZINC001088666478 1360007763 /nfs/dbraw/zinc/00/77/63/1360007763.db2.gz INXAAVQDHBOBFT-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CC1CCCCCC1 ZINC001088666478 1360007768 /nfs/dbraw/zinc/00/77/68/1360007768.db2.gz INXAAVQDHBOBFT-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CC1CCCCCC1 ZINC001088666478 1360007771 /nfs/dbraw/zinc/00/77/71/1360007771.db2.gz INXAAVQDHBOBFT-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CC1CCCCCC1 ZINC001088666478 1360007774 /nfs/dbraw/zinc/00/77/74/1360007774.db2.gz INXAAVQDHBOBFT-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCCC2CCC2)[C@@H]1C ZINC001088890618 1360093480 /nfs/dbraw/zinc/09/34/80/1360093480.db2.gz CSHBYHFZBWGAPN-AEFFLSMTSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)[C@@H]1C ZINC001088890618 1360093483 /nfs/dbraw/zinc/09/34/83/1360093483.db2.gz CSHBYHFZBWGAPN-AEFFLSMTSA-N 2 1 346.519 3.166 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897701 1360097833 /nfs/dbraw/zinc/09/78/33/1360097833.db2.gz TYOFJYWTBSRTGY-HBFSDRIKSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089334737 1360347701 /nfs/dbraw/zinc/34/77/01/1360347701.db2.gz KGBQOKOFBTVTTK-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089334737 1360347705 /nfs/dbraw/zinc/34/77/05/1360347705.db2.gz KGBQOKOFBTVTTK-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089334737 1360347707 /nfs/dbraw/zinc/34/77/07/1360347707.db2.gz KGBQOKOFBTVTTK-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089429801 1360421912 /nfs/dbraw/zinc/42/19/12/1360421912.db2.gz FAAWNJUUPKUZNW-QGZVFWFLSA-N 2 1 342.487 3.211 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445392 1360434380 /nfs/dbraw/zinc/43/43/80/1360434380.db2.gz HSWKZBQFVBIQRY-MOPGFXCFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445393 1360434499 /nfs/dbraw/zinc/43/44/99/1360434499.db2.gz HSWKZBQFVBIQRY-OALUTQOASA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](CC3CC3)CC(C)(C)C2)C1 ZINC001089473578 1360457239 /nfs/dbraw/zinc/45/72/39/1360457239.db2.gz ZAUPUZFLOZJVCQ-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](CC3CC3)CC(C)(C)C2)C1 ZINC001089473578 1360457241 /nfs/dbraw/zinc/45/72/41/1360457241.db2.gz ZAUPUZFLOZJVCQ-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC3CC3)CC(C)(C)C2)C1 ZINC001089473578 1360457242 /nfs/dbraw/zinc/45/72/42/1360457242.db2.gz ZAUPUZFLOZJVCQ-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492536 1360470215 /nfs/dbraw/zinc/47/02/15/1360470215.db2.gz KDVUBJKGYPRPHA-MSOLQXFVSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492536 1360470216 /nfs/dbraw/zinc/47/02/16/1360470216.db2.gz KDVUBJKGYPRPHA-MSOLQXFVSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492536 1360470218 /nfs/dbraw/zinc/47/02/18/1360470218.db2.gz KDVUBJKGYPRPHA-MSOLQXFVSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001089509056 1360480820 /nfs/dbraw/zinc/48/08/20/1360480820.db2.gz DIJMEVOYCFRENP-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCC3CCCC3)CC(C)(C)C2)C1 ZINC001089559893 1360507057 /nfs/dbraw/zinc/50/70/57/1360507057.db2.gz SVPGWRFSDNNEFD-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CCC3CCCC3)CC(C)(C)C2)C1 ZINC001089559893 1360507060 /nfs/dbraw/zinc/50/70/60/1360507060.db2.gz SVPGWRFSDNNEFD-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCC3CCCC3)CC(C)(C)C2)C1 ZINC001089559893 1360507064 /nfs/dbraw/zinc/50/70/64/1360507064.db2.gz SVPGWRFSDNNEFD-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089650212 1360563816 /nfs/dbraw/zinc/56/38/16/1360563816.db2.gz WHMKNPCIJGZTFA-DLBZAZTESA-N 2 1 346.519 3.167 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001089650212 1360563820 /nfs/dbraw/zinc/56/38/20/1360563820.db2.gz WHMKNPCIJGZTFA-DLBZAZTESA-N 2 1 346.519 3.167 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CC2)C1 ZINC001089683773 1360589419 /nfs/dbraw/zinc/58/94/19/1360589419.db2.gz FXAQGRIFZIXHNJ-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC2CC2)C1 ZINC001089683773 1360589422 /nfs/dbraw/zinc/58/94/22/1360589422.db2.gz FXAQGRIFZIXHNJ-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC2CC2)C1 ZINC001089683773 1360589423 /nfs/dbraw/zinc/58/94/23/1360589423.db2.gz FXAQGRIFZIXHNJ-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001089685504 1360591398 /nfs/dbraw/zinc/59/13/98/1360591398.db2.gz DFLPBKBFJXVDOR-OALUTQOASA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001089685504 1360591399 /nfs/dbraw/zinc/59/13/99/1360591399.db2.gz DFLPBKBFJXVDOR-OALUTQOASA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001089685504 1360591402 /nfs/dbraw/zinc/59/14/02/1360591402.db2.gz DFLPBKBFJXVDOR-OALUTQOASA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089705777 1360608191 /nfs/dbraw/zinc/60/81/91/1360608191.db2.gz JJVQDGIEBJPAFZ-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001089705777 1360608193 /nfs/dbraw/zinc/60/81/93/1360608193.db2.gz JJVQDGIEBJPAFZ-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001089705777 1360608196 /nfs/dbraw/zinc/60/81/96/1360608196.db2.gz JJVQDGIEBJPAFZ-ROUUACIJSA-N 2 1 337.552 3.266 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC001091100201 1360991700 /nfs/dbraw/zinc/99/17/00/1360991700.db2.gz KZFFUFFZKIWTDI-MHJFOBGBSA-N 2 1 349.563 3.316 20 0 EGADMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC3CCCCCC3)C[C@@]2(C)C1)[NH+](C)C ZINC001091780443 1361218313 /nfs/dbraw/zinc/21/83/13/1361218313.db2.gz KRJRNTBHCBRFFN-SBHAEUEKSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001092302107 1361358814 /nfs/dbraw/zinc/35/88/14/1361358814.db2.gz UAKQBIVKZLQJBP-LQWHRVPQSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001092302107 1361358815 /nfs/dbraw/zinc/35/88/15/1361358815.db2.gz UAKQBIVKZLQJBP-LQWHRVPQSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001092302107 1361358816 /nfs/dbraw/zinc/35/88/16/1361358816.db2.gz UAKQBIVKZLQJBP-LQWHRVPQSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676613 1361439759 /nfs/dbraw/zinc/43/97/59/1361439759.db2.gz GBEUZERKHKDTFW-QWFCFKBJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676613 1361439761 /nfs/dbraw/zinc/43/97/61/1361439761.db2.gz GBEUZERKHKDTFW-QWFCFKBJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676613 1361439763 /nfs/dbraw/zinc/43/97/63/1361439763.db2.gz GBEUZERKHKDTFW-QWFCFKBJSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094497093 1361830926 /nfs/dbraw/zinc/83/09/26/1361830926.db2.gz ODYATSSZXNSWNF-QKNQBKEWSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC001094497093 1361830930 /nfs/dbraw/zinc/83/09/30/1361830930.db2.gz ODYATSSZXNSWNF-QKNQBKEWSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC001094497093 1361830933 /nfs/dbraw/zinc/83/09/33/1361830933.db2.gz ODYATSSZXNSWNF-QKNQBKEWSA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001095404939 1362129760 /nfs/dbraw/zinc/12/97/60/1362129760.db2.gz GZUDJNWTSRMRHL-YDZRNGNQSA-N 2 1 335.536 3.017 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001095404939 1362129761 /nfs/dbraw/zinc/12/97/61/1362129761.db2.gz GZUDJNWTSRMRHL-YDZRNGNQSA-N 2 1 335.536 3.017 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001095404939 1362129763 /nfs/dbraw/zinc/12/97/63/1362129763.db2.gz GZUDJNWTSRMRHL-YDZRNGNQSA-N 2 1 335.536 3.017 20 0 EGADMP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001095483303 1362155466 /nfs/dbraw/zinc/15/54/66/1362155466.db2.gz IOESDHZRSAIFMR-ORQFMDKSSA-N 2 1 349.544 3.191 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001095483303 1362155468 /nfs/dbraw/zinc/15/54/68/1362155468.db2.gz IOESDHZRSAIFMR-ORQFMDKSSA-N 2 1 349.544 3.191 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(CC)CC ZINC001095498815 1362157711 /nfs/dbraw/zinc/15/77/11/1362157711.db2.gz FMVWPBPAHIXZEU-YDZRNGNQSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(CC)CC ZINC001095498815 1362157714 /nfs/dbraw/zinc/15/77/14/1362157714.db2.gz FMVWPBPAHIXZEU-YDZRNGNQSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(CC)CC ZINC001095498815 1362157717 /nfs/dbraw/zinc/15/77/17/1362157717.db2.gz FMVWPBPAHIXZEU-YDZRNGNQSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1)[NH+]1CCCC1 ZINC001095864397 1362259186 /nfs/dbraw/zinc/25/91/86/1362259186.db2.gz KIUMCWDAFYIIBQ-QYZOEREBSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)[NH+]1CCCCCC1 ZINC001096101461 1362382768 /nfs/dbraw/zinc/38/27/68/1362382768.db2.gz XCEVGJGIXNGMDY-LMCOJAPRSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001097177299 1362875496 /nfs/dbraw/zinc/87/54/96/1362875496.db2.gz NARCJXBSFKWCPY-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001097177299 1362875499 /nfs/dbraw/zinc/87/54/99/1362875499.db2.gz NARCJXBSFKWCPY-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001097177299 1362875502 /nfs/dbraw/zinc/87/55/02/1362875502.db2.gz NARCJXBSFKWCPY-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001097316649 1362928050 /nfs/dbraw/zinc/92/80/50/1362928050.db2.gz WYWSYLPHSUQSJW-KURKYZTESA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC(C)(C)C)C1 ZINC001097695339 1363103260 /nfs/dbraw/zinc/10/32/60/1363103260.db2.gz XNEOPRLJWPQQJR-MANSERQUSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC(C)(C)C)C1 ZINC001097695339 1363103264 /nfs/dbraw/zinc/10/32/64/1363103264.db2.gz XNEOPRLJWPQQJR-MANSERQUSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(C)(C)C)C1 ZINC001097695339 1363103265 /nfs/dbraw/zinc/10/32/65/1363103265.db2.gz XNEOPRLJWPQQJR-MANSERQUSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001097848975 1363141179 /nfs/dbraw/zinc/14/11/79/1363141179.db2.gz YIYCUMUXQYPCJH-AFYVEPGGSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001097848975 1363141183 /nfs/dbraw/zinc/14/11/83/1363141183.db2.gz YIYCUMUXQYPCJH-AFYVEPGGSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001097848975 1363141184 /nfs/dbraw/zinc/14/11/84/1363141184.db2.gz YIYCUMUXQYPCJH-AFYVEPGGSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCC2CCCCCC2)C1 ZINC001098394646 1363315533 /nfs/dbraw/zinc/31/55/33/1363315533.db2.gz PHAZCNFOZABHLM-NMLBUPMWSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCCCC2)C1 ZINC001098394646 1363315538 /nfs/dbraw/zinc/31/55/38/1363315538.db2.gz PHAZCNFOZABHLM-NMLBUPMWSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCCCC2)C1 ZINC001098394646 1363315541 /nfs/dbraw/zinc/31/55/41/1363315541.db2.gz PHAZCNFOZABHLM-NMLBUPMWSA-N 2 1 347.547 3.020 20 0 EGADMP CCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001185120297 1387622914 /nfs/dbraw/zinc/62/29/14/1387622914.db2.gz QFDNTWXXNIGOMW-IEBWSBKVSA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185170980 1387632711 /nfs/dbraw/zinc/63/27/11/1387632711.db2.gz SIOHPKDKRIMUAE-QZTJIDSGSA-N 2 1 337.552 3.005 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001099059938 1363600569 /nfs/dbraw/zinc/60/05/69/1363600569.db2.gz RDMYOWBBZGETRG-ZJOUEHCJSA-N 2 1 347.547 3.188 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099236290 1363707220 /nfs/dbraw/zinc/70/72/20/1363707220.db2.gz ZMNACCAGSWRPPT-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001099236290 1363707222 /nfs/dbraw/zinc/70/72/22/1363707222.db2.gz ZMNACCAGSWRPPT-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001099236290 1363707225 /nfs/dbraw/zinc/70/72/25/1363707225.db2.gz ZMNACCAGSWRPPT-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099236293 1363707246 /nfs/dbraw/zinc/70/72/46/1363707246.db2.gz ZMNACCAGSWRPPT-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001099236293 1363707249 /nfs/dbraw/zinc/70/72/49/1363707249.db2.gz ZMNACCAGSWRPPT-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001099236293 1363707252 /nfs/dbraw/zinc/70/72/52/1363707252.db2.gz ZMNACCAGSWRPPT-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099309211 1363742066 /nfs/dbraw/zinc/74/20/66/1363742066.db2.gz BFFALZOWOWFBDU-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001099309211 1363742067 /nfs/dbraw/zinc/74/20/67/1363742067.db2.gz BFFALZOWOWFBDU-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001099309211 1363742068 /nfs/dbraw/zinc/74/20/68/1363742068.db2.gz BFFALZOWOWFBDU-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001099320653 1363748070 /nfs/dbraw/zinc/74/80/70/1363748070.db2.gz KWYHRPAYUNOPMW-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001099320653 1363748073 /nfs/dbraw/zinc/74/80/73/1363748073.db2.gz KWYHRPAYUNOPMW-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001099320653 1363748076 /nfs/dbraw/zinc/74/80/76/1363748076.db2.gz KWYHRPAYUNOPMW-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1C[C@@H](C)CC ZINC001099321425 1363749640 /nfs/dbraw/zinc/74/96/40/1363749640.db2.gz WNDOQACZFNKMEG-ROUUACIJSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1C[C@@H](C)CC ZINC001099321425 1363749642 /nfs/dbraw/zinc/74/96/42/1363749642.db2.gz WNDOQACZFNKMEG-ROUUACIJSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1C[C@@H](C)CC ZINC001099321425 1363749646 /nfs/dbraw/zinc/74/96/46/1363749646.db2.gz WNDOQACZFNKMEG-ROUUACIJSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001099347708 1363764168 /nfs/dbraw/zinc/76/41/68/1363764168.db2.gz AWPFCIRGHAALLS-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099551652 1363844492 /nfs/dbraw/zinc/84/44/92/1363844492.db2.gz AQMWEFJSWRPMKE-YRPNKDGESA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099551652 1363844495 /nfs/dbraw/zinc/84/44/95/1363844495.db2.gz AQMWEFJSWRPMKE-YRPNKDGESA-N 2 1 349.563 3.077 20 0 EGADMP CCCCCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)CCC ZINC001099551652 1363844498 /nfs/dbraw/zinc/84/44/98/1363844498.db2.gz AQMWEFJSWRPMKE-YRPNKDGESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185235511 1387657713 /nfs/dbraw/zinc/65/77/13/1387657713.db2.gz PKKDJOSGCKTPIR-QZTJIDSGSA-N 2 1 348.535 3.127 20 0 EGADMP CCCC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185235772 1387657797 /nfs/dbraw/zinc/65/77/97/1387657797.db2.gz RSPDIYKCFUOCEP-ROUUACIJSA-N 2 1 348.535 3.271 20 0 EGADMP CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001100405879 1364103998 /nfs/dbraw/zinc/10/39/98/1364103998.db2.gz QNVKGMHISQSCRL-QLOJAFMTSA-N 2 1 349.563 3.458 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001100410575 1364105201 /nfs/dbraw/zinc/10/52/01/1364105201.db2.gz CUKORMUGYNZIBP-WWDZGPRUSA-N 2 1 343.515 3.025 20 0 EGADMP C[C@@H]([NH2+]C1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001100681251 1364215663 /nfs/dbraw/zinc/21/56/63/1364215663.db2.gz DHXSWYBKPBXOLQ-LRYGQEGESA-N 2 1 345.531 3.210 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001101258723 1364489225 /nfs/dbraw/zinc/48/92/25/1364489225.db2.gz HHGNEWAHLISDOP-DYXWJJEUSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@]2(C)C1 ZINC001101258723 1364489227 /nfs/dbraw/zinc/48/92/27/1364489227.db2.gz HHGNEWAHLISDOP-DYXWJJEUSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@]2(C)C1 ZINC001101258723 1364489230 /nfs/dbraw/zinc/48/92/30/1364489230.db2.gz HHGNEWAHLISDOP-DYXWJJEUSA-N 2 1 349.563 3.221 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101285327 1364498865 /nfs/dbraw/zinc/49/88/65/1364498865.db2.gz YTGLTVBNPBLWHR-VJZRLWATSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@]2(C)C1 ZINC001101285327 1364498874 /nfs/dbraw/zinc/49/88/74/1364498874.db2.gz YTGLTVBNPBLWHR-VJZRLWATSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101285327 1364498879 /nfs/dbraw/zinc/49/88/79/1364498879.db2.gz YTGLTVBNPBLWHR-VJZRLWATSA-N 2 1 349.563 3.243 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+](CC3CCCCC3)C[C@@]2(C)C1 ZINC001101285146 1364499091 /nfs/dbraw/zinc/49/90/91/1364499091.db2.gz QKCTUPGYAUKWFJ-NQIIRXRSSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CC3CCCCC3)C[C@@]2(C)C1 ZINC001101285146 1364499092 /nfs/dbraw/zinc/49/90/92/1364499092.db2.gz QKCTUPGYAUKWFJ-NQIIRXRSSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@]2(C)C1 ZINC001101285146 1364499094 /nfs/dbraw/zinc/49/90/94/1364499094.db2.gz QKCTUPGYAUKWFJ-NQIIRXRSSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001101547505 1364611507 /nfs/dbraw/zinc/61/15/07/1364611507.db2.gz DCCSCJAULPNTAR-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001102021141 1364813802 /nfs/dbraw/zinc/81/38/02/1364813802.db2.gz IXFFZXNYHVOQDK-FBYXPACISA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H](C)C1 ZINC001102021141 1364813804 /nfs/dbraw/zinc/81/38/04/1364813804.db2.gz IXFFZXNYHVOQDK-FBYXPACISA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)[C@H](C)C1 ZINC001102021141 1364813806 /nfs/dbraw/zinc/81/38/06/1364813806.db2.gz IXFFZXNYHVOQDK-FBYXPACISA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001102061950 1364829445 /nfs/dbraw/zinc/82/94/45/1364829445.db2.gz NZTUBMQZWXGBLC-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001102061950 1364829447 /nfs/dbraw/zinc/82/94/47/1364829447.db2.gz NZTUBMQZWXGBLC-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001102061950 1364829451 /nfs/dbraw/zinc/82/94/51/1364829451.db2.gz NZTUBMQZWXGBLC-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[C@@]1(CO)CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC001324633781 1387710491 /nfs/dbraw/zinc/71/04/91/1387710491.db2.gz KVLHOKFDLOEKAU-NRFANRHFSA-N 2 1 332.532 3.485 20 0 EGADMP CC(C)[C@@]1(CO)CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC001324633781 1387710493 /nfs/dbraw/zinc/71/04/93/1387710493.db2.gz KVLHOKFDLOEKAU-NRFANRHFSA-N 2 1 332.532 3.485 20 0 EGADMP CC(C)[C@@]1(CO)CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC001324633781 1387710495 /nfs/dbraw/zinc/71/04/95/1387710495.db2.gz KVLHOKFDLOEKAU-NRFANRHFSA-N 2 1 332.532 3.485 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419762 1365045900 /nfs/dbraw/zinc/04/59/00/1365045900.db2.gz SWLSKMKYMYCZQP-XXCOWLKOSA-N 2 1 346.519 3.047 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419762 1365045902 /nfs/dbraw/zinc/04/59/02/1365045902.db2.gz SWLSKMKYMYCZQP-XXCOWLKOSA-N 2 1 346.519 3.047 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1C ZINC001102466474 1365071455 /nfs/dbraw/zinc/07/14/55/1365071455.db2.gz OLCAAQXLBSFBPX-IEBWSBKVSA-N 2 1 348.535 3.092 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001102466474 1365071458 /nfs/dbraw/zinc/07/14/58/1365071458.db2.gz OLCAAQXLBSFBPX-IEBWSBKVSA-N 2 1 348.535 3.092 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001102524331 1365098270 /nfs/dbraw/zinc/09/82/70/1365098270.db2.gz AGDHHPYKOQRQPU-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001102524331 1365098274 /nfs/dbraw/zinc/09/82/74/1365098274.db2.gz AGDHHPYKOQRQPU-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001102524331 1365098277 /nfs/dbraw/zinc/09/82/77/1365098277.db2.gz AGDHHPYKOQRQPU-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001102987372 1365328419 /nfs/dbraw/zinc/32/84/19/1365328419.db2.gz ACXMVTLASPNNKV-RTBURBONSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001103086631 1365374342 /nfs/dbraw/zinc/37/43/42/1365374342.db2.gz LDQLNNMFZRGICB-KZNAEPCWSA-N 2 1 346.519 3.025 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001103086631 1365374349 /nfs/dbraw/zinc/37/43/49/1365374349.db2.gz LDQLNNMFZRGICB-KZNAEPCWSA-N 2 1 346.519 3.025 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001103233993 1365447492 /nfs/dbraw/zinc/44/74/92/1365447492.db2.gz VYMALEQSGPJJSG-SJLPKXTDSA-N 2 1 348.535 3.092 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001103233993 1365447493 /nfs/dbraw/zinc/44/74/93/1365447493.db2.gz VYMALEQSGPJJSG-SJLPKXTDSA-N 2 1 348.535 3.092 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001103307986 1365485455 /nfs/dbraw/zinc/48/54/55/1365485455.db2.gz ONIZXWNJWHGZQJ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378920 1365525501 /nfs/dbraw/zinc/52/55/01/1365525501.db2.gz QTJDBQVHVVDBBB-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001103753765 1365764864 /nfs/dbraw/zinc/76/48/64/1365764864.db2.gz ZDBGJLIPXQMOBW-TZFVZSICSA-N 2 1 349.563 3.293 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1CCNC(=O)CCCC[NH+]1CCCC1 ZINC001103773637 1365777736 /nfs/dbraw/zinc/77/77/36/1365777736.db2.gz JDGMFBFDXVERNG-UYAOXDASSA-N 2 1 349.563 3.127 20 0 EGADMP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001104211054 1365952851 /nfs/dbraw/zinc/95/28/51/1365952851.db2.gz PCLAWNNYOLELSV-CCUKAZOQSA-N 2 1 349.563 3.147 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001104874503 1366206215 /nfs/dbraw/zinc/20/62/15/1366206215.db2.gz WJVKHUVIDWGVKL-UYAOXDASSA-N 2 1 349.563 3.293 20 0 EGADMP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001104937791 1366231200 /nfs/dbraw/zinc/23/12/00/1366231200.db2.gz HQLCOSCMSKTCQZ-TYFAACHXSA-N 2 1 337.552 3.149 20 0 EGADMP CC(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105518514 1366505864 /nfs/dbraw/zinc/50/58/64/1366505864.db2.gz ZZTPOOCQUHXGQO-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CCC[C@@H]2C)CCC1 ZINC001105563351 1366532997 /nfs/dbraw/zinc/53/29/97/1366532997.db2.gz KSLZMTFXEDKVIM-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C1(C[NH2+]C(C)C)CCC1 ZINC001105574596 1366539415 /nfs/dbraw/zinc/53/94/15/1366539415.db2.gz BSONPRQTCADTRF-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@]23CC[N@@H+](C2)CCC3)CCC1 ZINC001105577753 1366541782 /nfs/dbraw/zinc/54/17/82/1366541782.db2.gz ZKTCLGAVOZSKJA-NQIIRXRSSA-N 2 1 347.547 3.022 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106571223 1366740529 /nfs/dbraw/zinc/74/05/29/1366740529.db2.gz PYGXMKCGFMGUGG-VMASUYHGSA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107455099 1366969528 /nfs/dbraw/zinc/96/95/28/1366969528.db2.gz WESUKILFMWBYEV-PLUMIXRBSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@H+](C)CC)CCC[C@@H]12 ZINC001107455099 1366969531 /nfs/dbraw/zinc/96/95/31/1366969531.db2.gz WESUKILFMWBYEV-PLUMIXRBSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@@H+](C)CC)CCC[C@@H]12 ZINC001107455099 1366969533 /nfs/dbraw/zinc/96/95/33/1366969533.db2.gz WESUKILFMWBYEV-PLUMIXRBSA-N 2 1 349.563 3.434 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109272921 1367036230 /nfs/dbraw/zinc/03/62/30/1367036230.db2.gz RVTQCEFDSNRFOD-YDZRNGNQSA-N 2 1 335.536 3.161 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109272921 1367036234 /nfs/dbraw/zinc/03/62/34/1367036234.db2.gz RVTQCEFDSNRFOD-YDZRNGNQSA-N 2 1 335.536 3.161 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001109272921 1367036237 /nfs/dbraw/zinc/03/62/37/1367036237.db2.gz RVTQCEFDSNRFOD-YDZRNGNQSA-N 2 1 335.536 3.161 20 0 EGADMP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1=CCCCC1)CC2)[NH+](C)C ZINC001107553375 1367039553 /nfs/dbraw/zinc/03/95/53/1367039553.db2.gz IIJPWYXEFCZILX-QKNQBKEWSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646598 1367091826 /nfs/dbraw/zinc/09/18/26/1367091826.db2.gz MIWKHVKLOWFHPK-SVFBPWRDSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1)C1CC1 ZINC001109405008 1367106419 /nfs/dbraw/zinc/10/64/19/1367106419.db2.gz WKZDBIJZYZXJJJ-FUMNGEBKSA-N 2 1 347.547 3.019 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001189912802 1367130193 /nfs/dbraw/zinc/13/01/93/1367130193.db2.gz FRMCZIRPDBETTK-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001189912802 1367130199 /nfs/dbraw/zinc/13/01/99/1367130199.db2.gz FRMCZIRPDBETTK-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001189912802 1367130202 /nfs/dbraw/zinc/13/02/02/1367130202.db2.gz FRMCZIRPDBETTK-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC1)C1CCCCC1 ZINC001109560527 1367198221 /nfs/dbraw/zinc/19/82/21/1367198221.db2.gz FPBHHQHACMGCNW-AABGKKOBSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1)C1CCCCC1 ZINC001109560527 1367198228 /nfs/dbraw/zinc/19/82/28/1367198228.db2.gz FPBHHQHACMGCNW-AABGKKOBSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1)C1CCCCC1 ZINC001109560527 1367198233 /nfs/dbraw/zinc/19/82/33/1367198233.db2.gz FPBHHQHACMGCNW-AABGKKOBSA-N 2 1 347.547 3.163 20 0 EGADMP CC1CC(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C3)C1 ZINC001109565395 1367202131 /nfs/dbraw/zinc/20/21/31/1367202131.db2.gz NJNRHRMHTUUDLW-GXZRBYELSA-N 2 1 347.547 3.019 20 0 EGADMP CCc1nccn1[C@H](C)CC(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001190248118 1367208880 /nfs/dbraw/zinc/20/88/80/1367208880.db2.gz WZUAKNCEBJVPAZ-IAGOWNOFSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001190248118 1367208884 /nfs/dbraw/zinc/20/88/84/1367208884.db2.gz WZUAKNCEBJVPAZ-IAGOWNOFSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001190248118 1367208888 /nfs/dbraw/zinc/20/88/88/1367208888.db2.gz WZUAKNCEBJVPAZ-IAGOWNOFSA-N 2 1 348.535 3.366 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH+](C)CCCC3CCC3)C2)C1 ZINC001190655518 1367318136 /nfs/dbraw/zinc/31/81/36/1367318136.db2.gz POJNAUFOSIVRMZ-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCCC3CCC3)C2)C1 ZINC001190655518 1367318141 /nfs/dbraw/zinc/31/81/41/1367318141.db2.gz POJNAUFOSIVRMZ-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCCC3CCC3)C2)C1 ZINC001190655518 1367318147 /nfs/dbraw/zinc/31/81/47/1367318147.db2.gz POJNAUFOSIVRMZ-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)Cc2cc(C)cc(C)c2)C1 ZINC001190997030 1367398830 /nfs/dbraw/zinc/39/88/30/1367398830.db2.gz PTGFEJTWNUJVGJ-IBGZPJMESA-N 2 1 345.531 3.066 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001190997030 1367398836 /nfs/dbraw/zinc/39/88/36/1367398836.db2.gz PTGFEJTWNUJVGJ-IBGZPJMESA-N 2 1 345.531 3.066 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001190997030 1367398840 /nfs/dbraw/zinc/39/88/40/1367398840.db2.gz PTGFEJTWNUJVGJ-IBGZPJMESA-N 2 1 345.531 3.066 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2ccccc2C)C1 ZINC001191029085 1367405096 /nfs/dbraw/zinc/40/50/96/1367405096.db2.gz FUGFIBPKZQEDEB-QZTJIDSGSA-N 2 1 345.531 3.319 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CCCC2CCCC2)C1 ZINC001191030224 1367406069 /nfs/dbraw/zinc/40/60/69/1367406069.db2.gz SAFDENFEXYSAIT-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001191030224 1367406073 /nfs/dbraw/zinc/40/60/73/1367406073.db2.gz SAFDENFEXYSAIT-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001191030224 1367406076 /nfs/dbraw/zinc/40/60/76/1367406076.db2.gz SAFDENFEXYSAIT-GOSISDBHSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001110019338 1367461138 /nfs/dbraw/zinc/46/11/38/1367461138.db2.gz RTIRUYVXDPOZED-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001110019338 1367461142 /nfs/dbraw/zinc/46/11/42/1367461142.db2.gz RTIRUYVXDPOZED-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001110019338 1367461144 /nfs/dbraw/zinc/46/11/44/1367461144.db2.gz RTIRUYVXDPOZED-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110114884 1367507729 /nfs/dbraw/zinc/50/77/29/1367507729.db2.gz MBBBKIRAQVPFIX-YRXWBPOGSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)=CC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191551416 1367526361 /nfs/dbraw/zinc/52/63/61/1367526361.db2.gz LUGYHUMISTUWNQ-IBGZPJMESA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)=CC[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001191551416 1367526365 /nfs/dbraw/zinc/52/63/65/1367526365.db2.gz LUGYHUMISTUWNQ-IBGZPJMESA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)=CC[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001191551416 1367526370 /nfs/dbraw/zinc/52/63/70/1367526370.db2.gz LUGYHUMISTUWNQ-IBGZPJMESA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001108717462 1367553749 /nfs/dbraw/zinc/55/37/49/1367553749.db2.gz LAWITXDOHIDVAE-WVTGGUBDSA-N 2 1 335.536 3.042 20 0 EGADMP CC(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001108770701 1367587209 /nfs/dbraw/zinc/58/72/09/1367587209.db2.gz UDXAQNIAPJXISA-KSZLIROESA-N 2 1 346.519 3.022 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CC[C@H]([N@@H+](C)CC3CCC(C)(C)CC3)C2)CC1 ZINC001192015821 1367664946 /nfs/dbraw/zinc/66/49/46/1367664946.db2.gz AEQTWGKJUWNKHI-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001192045576 1367674234 /nfs/dbraw/zinc/67/42/34/1367674234.db2.gz GLDWKDHHUKPKLG-MOPGFXCFSA-N 2 1 345.531 3.239 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1)[NH+](C)C ZINC001192191266 1367712434 /nfs/dbraw/zinc/71/24/34/1367712434.db2.gz XGAGMFRTCHFBEY-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP Cc1cccc(C[NH+](C)[C@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)c1 ZINC001192384889 1367769770 /nfs/dbraw/zinc/76/97/70/1367769770.db2.gz BJBMROMWFSWFKS-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP Cc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)c1 ZINC001192384889 1367769774 /nfs/dbraw/zinc/76/97/74/1367769774.db2.gz BJBMROMWFSWFKS-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001192596082 1367828305 /nfs/dbraw/zinc/82/83/05/1367828305.db2.gz MKLCNBYROHFMNM-KRWDZBQOSA-N 2 1 348.535 3.366 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001192596082 1367828313 /nfs/dbraw/zinc/82/83/13/1367828313.db2.gz MKLCNBYROHFMNM-KRWDZBQOSA-N 2 1 348.535 3.366 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192672159 1367846254 /nfs/dbraw/zinc/84/62/54/1367846254.db2.gz ULCYPFJXONVLIK-MOPGFXCFSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192672159 1367846262 /nfs/dbraw/zinc/84/62/62/1367846262.db2.gz ULCYPFJXONVLIK-MOPGFXCFSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192672159 1367846264 /nfs/dbraw/zinc/84/62/64/1367846264.db2.gz ULCYPFJXONVLIK-MOPGFXCFSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001110626727 1367875130 /nfs/dbraw/zinc/87/51/30/1367875130.db2.gz NYBNHSQNRYTDTD-AKHDSKFASA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001110626727 1367875133 /nfs/dbraw/zinc/87/51/33/1367875133.db2.gz NYBNHSQNRYTDTD-AKHDSKFASA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001110626727 1367875137 /nfs/dbraw/zinc/87/51/37/1367875137.db2.gz NYBNHSQNRYTDTD-AKHDSKFASA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC2CC(C)C2)C1 ZINC001192905931 1367901236 /nfs/dbraw/zinc/90/12/36/1367901236.db2.gz IFECVWMYMDQLIL-CTWPCTMYSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)C2)C1 ZINC001192905931 1367901239 /nfs/dbraw/zinc/90/12/39/1367901239.db2.gz IFECVWMYMDQLIL-CTWPCTMYSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)C2)C1 ZINC001192905931 1367901243 /nfs/dbraw/zinc/90/12/43/1367901243.db2.gz IFECVWMYMDQLIL-CTWPCTMYSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001110684265 1367925979 /nfs/dbraw/zinc/92/59/79/1367925979.db2.gz CNCOSLSWSKPLKI-WTGUMLROSA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001110684265 1367925983 /nfs/dbraw/zinc/92/59/83/1367925983.db2.gz CNCOSLSWSKPLKI-WTGUMLROSA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001110684265 1367925990 /nfs/dbraw/zinc/92/59/90/1367925990.db2.gz CNCOSLSWSKPLKI-WTGUMLROSA-N 2 1 345.531 3.083 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001110753939 1367961788 /nfs/dbraw/zinc/96/17/88/1367961788.db2.gz AYYBKZCNQCAEET-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001110753939 1367961790 /nfs/dbraw/zinc/96/17/90/1367961790.db2.gz AYYBKZCNQCAEET-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001110753939 1367961793 /nfs/dbraw/zinc/96/17/93/1367961793.db2.gz AYYBKZCNQCAEET-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCCC3CCC3)C2)CC1 ZINC001193205033 1367965795 /nfs/dbraw/zinc/96/57/95/1367965795.db2.gz QCKZXLOWDKCEJC-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2cc(C)ccc2C)C1 ZINC001193280023 1367990008 /nfs/dbraw/zinc/99/00/08/1367990008.db2.gz SUSWQRDHXNUJIC-RTBURBONSA-N 2 1 345.531 3.239 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2cc(C)ccc2C)C1 ZINC001193280023 1367990015 /nfs/dbraw/zinc/99/00/15/1367990015.db2.gz SUSWQRDHXNUJIC-RTBURBONSA-N 2 1 345.531 3.239 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2cc(C)ccc2C)C1 ZINC001193280023 1367990020 /nfs/dbraw/zinc/99/00/20/1367990020.db2.gz SUSWQRDHXNUJIC-RTBURBONSA-N 2 1 345.531 3.239 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110810084 1368004635 /nfs/dbraw/zinc/00/46/35/1368004635.db2.gz FULSDSWGZCWTSB-QRQLOZEOSA-N 2 1 340.471 3.250 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCC(C)C)C1 ZINC001193389700 1368016753 /nfs/dbraw/zinc/01/67/53/1368016753.db2.gz GMNYMBQVEWJAJN-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCC(C)C)C1 ZINC001193389700 1368016758 /nfs/dbraw/zinc/01/67/58/1368016758.db2.gz GMNYMBQVEWJAJN-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC(C)C)C1 ZINC001193389700 1368016761 /nfs/dbraw/zinc/01/67/61/1368016761.db2.gz GMNYMBQVEWJAJN-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001110847475 1368028874 /nfs/dbraw/zinc/02/88/74/1368028874.db2.gz SXNOHFBOCORTNK-ZRNYENFQSA-N 2 1 347.547 3.019 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862540 1368041920 /nfs/dbraw/zinc/04/19/20/1368041920.db2.gz VBAAESSCWFBZBB-GJGSYKPXSA-N 2 1 347.547 3.329 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)Cc2cc(C)ccc2C)C1 ZINC001193600764 1368070437 /nfs/dbraw/zinc/07/04/37/1368070437.db2.gz LCRVIUJYPQSJJG-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2C)C1 ZINC001193600764 1368070441 /nfs/dbraw/zinc/07/04/41/1368070441.db2.gz LCRVIUJYPQSJJG-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)ccc2C)C1 ZINC001193600764 1368070450 /nfs/dbraw/zinc/07/04/50/1368070450.db2.gz LCRVIUJYPQSJJG-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111025056 1368145958 /nfs/dbraw/zinc/14/59/58/1368145958.db2.gz JXALZQZIOQHFNW-MKXGPGLRSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001111025056 1368145963 /nfs/dbraw/zinc/14/59/63/1368145963.db2.gz JXALZQZIOQHFNW-MKXGPGLRSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001111025056 1368145968 /nfs/dbraw/zinc/14/59/68/1368145968.db2.gz JXALZQZIOQHFNW-MKXGPGLRSA-N 2 1 349.563 3.122 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111030871 1368146195 /nfs/dbraw/zinc/14/61/95/1368146195.db2.gz IEEMTZZKQJQGCC-KURKYZTESA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001111030871 1368146197 /nfs/dbraw/zinc/14/61/97/1368146197.db2.gz IEEMTZZKQJQGCC-KURKYZTESA-N 2 1 337.552 3.266 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111030871 1368146202 /nfs/dbraw/zinc/14/62/02/1368146202.db2.gz IEEMTZZKQJQGCC-KURKYZTESA-N 2 1 337.552 3.266 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC(C)(C)C)CC1 ZINC001111099697 1368157824 /nfs/dbraw/zinc/15/78/24/1368157824.db2.gz SPVZNDWWXRPNOA-QRVBRYPASA-N 2 1 349.563 3.266 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001111097013 1368158438 /nfs/dbraw/zinc/15/84/38/1368158438.db2.gz GOKZPCBWIXIVLW-SXWQNMERSA-N 2 1 347.547 3.329 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)C ZINC001111150708 1368167071 /nfs/dbraw/zinc/16/70/71/1368167071.db2.gz SGWCKCACUMIUBB-QRVBRYPASA-N 2 1 346.519 3.129 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C ZINC001111150708 1368167076 /nfs/dbraw/zinc/16/70/76/1368167076.db2.gz SGWCKCACUMIUBB-QRVBRYPASA-N 2 1 346.519 3.129 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081831 1368180207 /nfs/dbraw/zinc/18/02/07/1368180207.db2.gz XNCSESJTLMGRSY-VZSQWMKGSA-N 2 1 335.536 3.142 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1ccccc1C ZINC001111233697 1368209467 /nfs/dbraw/zinc/20/94/67/1368209467.db2.gz UJWWIMPYZTXBHX-LFGUQSLTSA-N 2 1 343.515 3.119 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ccccc1C ZINC001111233697 1368209474 /nfs/dbraw/zinc/20/94/74/1368209474.db2.gz UJWWIMPYZTXBHX-LFGUQSLTSA-N 2 1 343.515 3.119 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ccccc1C ZINC001111233697 1368209476 /nfs/dbraw/zinc/20/94/76/1368209476.db2.gz UJWWIMPYZTXBHX-LFGUQSLTSA-N 2 1 343.515 3.119 20 0 EGADMP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274818 1368222721 /nfs/dbraw/zinc/22/27/21/1368222721.db2.gz LXXCSBUKWVIMDT-WOJBJXKFSA-N 2 1 345.531 3.258 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274818 1368222725 /nfs/dbraw/zinc/22/27/25/1368222725.db2.gz LXXCSBUKWVIMDT-WOJBJXKFSA-N 2 1 345.531 3.258 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194406967 1368254663 /nfs/dbraw/zinc/25/46/63/1368254663.db2.gz FEEKAXZCXUPODG-SJORKVTESA-N 2 1 349.519 3.314 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194430060 1368260496 /nfs/dbraw/zinc/26/04/96/1368260496.db2.gz RCVJKWDLBHIJSA-PHWHVTFISA-N 2 1 335.536 3.142 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001111308791 1368262646 /nfs/dbraw/zinc/26/26/46/1368262646.db2.gz WXZOHVYCJNGGQX-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001111308791 1368262649 /nfs/dbraw/zinc/26/26/49/1368262649.db2.gz WXZOHVYCJNGGQX-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001111308791 1368262654 /nfs/dbraw/zinc/26/26/54/1368262654.db2.gz WXZOHVYCJNGGQX-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCOc3ccc(F)c(Cl)c3)C2)C1 ZINC001194641003 1368301687 /nfs/dbraw/zinc/30/16/87/1368301687.db2.gz KYTWABXZTGEBMY-KRWDZBQOSA-N 2 1 326.843 3.276 20 0 EGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCOc3ccc(F)c(Cl)c3)C2)C1 ZINC001194641003 1368301694 /nfs/dbraw/zinc/30/16/94/1368301694.db2.gz KYTWABXZTGEBMY-KRWDZBQOSA-N 2 1 326.843 3.276 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCOc3ccc(F)c(Cl)c3)C2)C1 ZINC001194641003 1368301699 /nfs/dbraw/zinc/30/16/99/1368301699.db2.gz KYTWABXZTGEBMY-KRWDZBQOSA-N 2 1 326.843 3.276 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCOc3ccc(F)c(Cl)c3)C2)C1 ZINC001194641003 1368301704 /nfs/dbraw/zinc/30/17/04/1368301704.db2.gz KYTWABXZTGEBMY-KRWDZBQOSA-N 2 1 326.843 3.276 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111416572 1368304005 /nfs/dbraw/zinc/30/40/05/1368304005.db2.gz RCWROUYEGPQIII-ILRJUJNRSA-N 2 1 347.547 3.330 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494627 1368320812 /nfs/dbraw/zinc/32/08/12/1368320812.db2.gz YXGMNTJKWAXJNK-MKXGPGLRSA-N 2 1 335.536 3.020 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001186412772 1387936722 /nfs/dbraw/zinc/93/67/22/1387936722.db2.gz RLLFHODECRZALX-IBHIWXBSSA-N 2 1 337.552 3.435 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001186421000 1387938802 /nfs/dbraw/zinc/93/88/02/1387938802.db2.gz URODDGRNCCHCSZ-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001111740778 1368437289 /nfs/dbraw/zinc/43/72/89/1368437289.db2.gz NNCQICLFPSTHQE-WHGMVNQHSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001111740778 1368437292 /nfs/dbraw/zinc/43/72/92/1368437292.db2.gz NNCQICLFPSTHQE-WHGMVNQHSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001111740778 1368437294 /nfs/dbraw/zinc/43/72/94/1368437294.db2.gz NNCQICLFPSTHQE-WHGMVNQHSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001111740846 1368438540 /nfs/dbraw/zinc/43/85/40/1368438540.db2.gz QOMVXLCFCQHQQJ-ZVDOUQERSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001111740846 1368438543 /nfs/dbraw/zinc/43/85/43/1368438543.db2.gz QOMVXLCFCQHQQJ-ZVDOUQERSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001111740846 1368438545 /nfs/dbraw/zinc/43/85/45/1368438545.db2.gz QOMVXLCFCQHQQJ-ZVDOUQERSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821068 1368482243 /nfs/dbraw/zinc/48/22/43/1368482243.db2.gz IYEFRNXNVPCDEV-WFXMLNOXSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785837 1368490455 /nfs/dbraw/zinc/49/04/55/1368490455.db2.gz XNEOLQVVKLHDJV-RURPWVQCSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001195785837 1368490458 /nfs/dbraw/zinc/49/04/58/1368490458.db2.gz XNEOLQVVKLHDJV-RURPWVQCSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001195785837 1368490460 /nfs/dbraw/zinc/49/04/60/1368490460.db2.gz XNEOLQVVKLHDJV-RURPWVQCSA-N 2 1 335.536 3.140 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC(C)(C)C)C2 ZINC001111858240 1368509880 /nfs/dbraw/zinc/50/98/80/1368509880.db2.gz VIOAUSXHKKTUCG-PXNSSMCTSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)C[C@@H](C)n2ccnc2CC)CC1 ZINC001195899985 1368512820 /nfs/dbraw/zinc/51/28/20/1368512820.db2.gz FYIPZHUKWQGOCK-IPLHWJFFSA-N 2 1 346.519 3.287 20 0 EGADMP CC/C=C/CC[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001195899985 1368512825 /nfs/dbraw/zinc/51/28/25/1368512825.db2.gz FYIPZHUKWQGOCK-IPLHWJFFSA-N 2 1 346.519 3.287 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001195899985 1368512830 /nfs/dbraw/zinc/51/28/30/1368512830.db2.gz FYIPZHUKWQGOCK-IPLHWJFFSA-N 2 1 346.519 3.287 20 0 EGADMP CC/C=C\CC[N@@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001196018033 1368537043 /nfs/dbraw/zinc/53/70/43/1368537043.db2.gz HLNMXKQUJYSHAE-WAYWQWQTSA-N 2 1 349.544 3.314 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001196018033 1368537044 /nfs/dbraw/zinc/53/70/44/1368537044.db2.gz HLNMXKQUJYSHAE-WAYWQWQTSA-N 2 1 349.544 3.314 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCC1=CCCCC1)C2 ZINC001111927822 1368564227 /nfs/dbraw/zinc/56/42/27/1368564227.db2.gz PCZQFHPFBIVMBQ-FPOVZHCZSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1=CCCCC1)C2 ZINC001111927822 1368564235 /nfs/dbraw/zinc/56/42/35/1368564235.db2.gz PCZQFHPFBIVMBQ-FPOVZHCZSA-N 2 1 347.547 3.189 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1=CCCCC1)C2 ZINC001111927822 1368564239 /nfs/dbraw/zinc/56/42/39/1368564239.db2.gz PCZQFHPFBIVMBQ-FPOVZHCZSA-N 2 1 347.547 3.189 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CCCC(C)(C)C)C3)C1 ZINC001111938316 1368568119 /nfs/dbraw/zinc/56/81/19/1368568119.db2.gz WCJMZRQBKZJKIS-LQWHRVPQSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CCCC(C)(C)C)C3)C1 ZINC001111938316 1368568123 /nfs/dbraw/zinc/56/81/23/1368568123.db2.gz WCJMZRQBKZJKIS-LQWHRVPQSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCC(C)(C)C)C3)C1 ZINC001111938316 1368568125 /nfs/dbraw/zinc/56/81/25/1368568125.db2.gz WCJMZRQBKZJKIS-LQWHRVPQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111950884 1368570979 /nfs/dbraw/zinc/57/09/79/1368570979.db2.gz GUJLIULBNAHVMG-QGELVWPYSA-N 2 1 349.563 3.435 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CCC)C1 ZINC001111950884 1368570984 /nfs/dbraw/zinc/57/09/84/1368570984.db2.gz GUJLIULBNAHVMG-QGELVWPYSA-N 2 1 349.563 3.435 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001111950884 1368570986 /nfs/dbraw/zinc/57/09/86/1368570986.db2.gz GUJLIULBNAHVMG-QGELVWPYSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001196275943 1368582133 /nfs/dbraw/zinc/58/21/33/1368582133.db2.gz PCLJWCIBEAWMSJ-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001196275943 1368582157 /nfs/dbraw/zinc/58/21/57/1368582157.db2.gz PCLJWCIBEAWMSJ-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001196275943 1368582162 /nfs/dbraw/zinc/58/21/62/1368582162.db2.gz PCLJWCIBEAWMSJ-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CCC[N@@H+](Cc3ccsc3)CC2)CCCC1 ZINC001196656701 1368657559 /nfs/dbraw/zinc/65/75/59/1368657559.db2.gz SXIDGSJMLGNBIB-UHFFFAOYSA-N 2 1 349.544 3.047 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@H+]2CCCN(C(=O)CC[NH+](C)C)CC2)cc1 ZINC001197043149 1368734846 /nfs/dbraw/zinc/73/48/46/1368734846.db2.gz CCMSCUDOHBFFLS-GOSISDBHSA-N 2 1 345.531 3.357 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001197141310 1368753434 /nfs/dbraw/zinc/75/34/34/1368753434.db2.gz GJIISGMZVVWQPE-SFHVURJKSA-N 2 1 325.541 3.221 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197331316 1368789078 /nfs/dbraw/zinc/78/90/78/1368789078.db2.gz JOWFQGVLBMLRQT-VOFKWLDRSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001197331316 1368789084 /nfs/dbraw/zinc/78/90/84/1368789084.db2.gz JOWFQGVLBMLRQT-VOFKWLDRSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001197331316 1368789089 /nfs/dbraw/zinc/78/90/89/1368789089.db2.gz JOWFQGVLBMLRQT-VOFKWLDRSA-N 2 1 335.536 3.140 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC=C(C)C)C1 ZINC001112382356 1368810163 /nfs/dbraw/zinc/81/01/63/1368810163.db2.gz SZZYESAGYXQDIW-ZJOUEHCJSA-N 2 1 347.547 3.045 20 0 EGADMP Cc1nccn1CCCC(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001197454199 1368817677 /nfs/dbraw/zinc/81/76/77/1368817677.db2.gz OJTGLQXVECMLGZ-UHFFFAOYSA-N 2 1 348.535 3.332 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001197454199 1368817679 /nfs/dbraw/zinc/81/76/79/1368817679.db2.gz OJTGLQXVECMLGZ-UHFFFAOYSA-N 2 1 348.535 3.332 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001197454199 1368817682 /nfs/dbraw/zinc/81/76/82/1368817682.db2.gz OJTGLQXVECMLGZ-UHFFFAOYSA-N 2 1 348.535 3.332 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001197659700 1368866235 /nfs/dbraw/zinc/86/62/35/1368866235.db2.gz PTQNTQUGLPPTAB-VOTSOKGWSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001112516296 1368910698 /nfs/dbraw/zinc/91/06/98/1368910698.db2.gz CGUHHMMCNOVVBO-IWFBPKFRSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1cc(C)cc(C[N@@H+]2CCCN(C(=O)CCCC[NH+](C)C)CC2)c1 ZINC001197879857 1368918806 /nfs/dbraw/zinc/91/88/06/1368918806.db2.gz NZDPIIBYPQBSQR-UHFFFAOYSA-N 2 1 345.531 3.070 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001197886706 1368920059 /nfs/dbraw/zinc/92/00/59/1368920059.db2.gz ZALHYFIKTDUBHP-UHFFFAOYSA-N 2 1 325.541 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC001197922382 1368924660 /nfs/dbraw/zinc/92/46/60/1368924660.db2.gz QZWLLLQLMKRKMP-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[N@@H+]([C@@H](CC)c2ccccc2)CC1 ZINC001197922382 1368924662 /nfs/dbraw/zinc/92/46/62/1368924662.db2.gz QZWLLLQLMKRKMP-IBGZPJMESA-N 2 1 331.504 3.014 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCCC2)C1 ZINC001112567272 1368931008 /nfs/dbraw/zinc/93/10/08/1368931008.db2.gz GCNWTUAEHOPMJN-FPOVZHCZSA-N 2 1 349.563 3.127 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001198259467 1368991476 /nfs/dbraw/zinc/99/14/76/1368991476.db2.gz MCTOWILEHUEIBI-GHOSXJJBSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001198259467 1368991484 /nfs/dbraw/zinc/99/14/84/1368991484.db2.gz MCTOWILEHUEIBI-GHOSXJJBSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001198259467 1368991494 /nfs/dbraw/zinc/99/14/94/1368991494.db2.gz MCTOWILEHUEIBI-GHOSXJJBSA-N 2 1 335.536 3.142 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)N1CCC[N@@H+](Cc2ccsc2)CC1 ZINC001198364493 1369016594 /nfs/dbraw/zinc/01/65/94/1369016594.db2.gz XBDGMDVYKPODTO-UHFFFAOYSA-N 2 1 349.544 3.049 20 0 EGADMP CCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001112964865 1369112263 /nfs/dbraw/zinc/11/22/63/1369112263.db2.gz AZIQONKJRWCPJR-LJQANCHMSA-N 2 1 335.536 3.118 20 0 EGADMP CCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001112964865 1369112267 /nfs/dbraw/zinc/11/22/67/1369112267.db2.gz AZIQONKJRWCPJR-LJQANCHMSA-N 2 1 335.536 3.118 20 0 EGADMP CC[NH+]1CCC(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001200232608 1369332403 /nfs/dbraw/zinc/33/24/03/1369332403.db2.gz NUEQFCFQTGHJEH-UHFFFAOYSA-N 3 1 331.548 3.466 20 0 EGADMP CC[NH+]1CCC(C[NH2+]CC(C)(C)CN(C)Cc2ccccc2)CC1 ZINC001200232608 1369332407 /nfs/dbraw/zinc/33/24/07/1369332407.db2.gz NUEQFCFQTGHJEH-UHFFFAOYSA-N 2 1 331.548 3.466 20 0 EGADMP CC[C@H](C(=O)N1CC[NH+]([C@@H](CC)c2ccccc2)CC1)[NH+](CC)CC ZINC001113341458 1369359266 /nfs/dbraw/zinc/35/92/66/1369359266.db2.gz XUWVPSXMLQZSHD-VQTJNVASSA-N 2 1 345.531 3.402 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](CCC2=CCCCC2)CC1)C(C)C ZINC001113441456 1369431198 /nfs/dbraw/zinc/43/11/98/1369431198.db2.gz BDQCPMDXZOKEGA-HXUWFJFHSA-N 2 1 349.563 3.388 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](Cc2ccccc2C)CC1)C(C)C ZINC001113441799 1369431477 /nfs/dbraw/zinc/43/14/77/1369431477.db2.gz VDACHPJOCWVKPI-FQEVSTJZSA-N 2 1 345.531 3.006 20 0 EGADMP CC(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001201229897 1369499834 /nfs/dbraw/zinc/49/98/34/1369499834.db2.gz HNTSEZDECGBOIB-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@@H](C)c2ccccc2)CC1 ZINC001201313759 1369516781 /nfs/dbraw/zinc/51/67/81/1369516781.db2.gz HBQPEZAVPYKIRZ-INIZCTEOSA-N 2 1 331.504 3.059 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@H](C)c2ccccc2C)CC1 ZINC001201321733 1369519137 /nfs/dbraw/zinc/51/91/37/1369519137.db2.gz VFFZBJDGWGBGFX-QGZVFWFLSA-N 2 1 345.531 3.367 20 0 EGADMP c1cc(C[NH+]2CCO[C@@H]3C[N@@H+](CC4CCCCC4)CC[C@@H]3C2)ccn1 ZINC001201394109 1369534922 /nfs/dbraw/zinc/53/49/22/1369534922.db2.gz PRUMIAUHFOFGJU-NHCUHLMSSA-N 2 1 343.515 3.185 20 0 EGADMP c1cc(C[N@@H+]2CCO[C@@H]3C[NH+](CC4CCCCC4)CC[C@@H]3C2)ccn1 ZINC001201394109 1369534925 /nfs/dbraw/zinc/53/49/25/1369534925.db2.gz PRUMIAUHFOFGJU-NHCUHLMSSA-N 2 1 343.515 3.185 20 0 EGADMP c1cc(C[N@H+]2CCO[C@@H]3C[NH+](CC4CCCCC4)CC[C@@H]3C2)ccn1 ZINC001201394109 1369534928 /nfs/dbraw/zinc/53/49/28/1369534928.db2.gz PRUMIAUHFOFGJU-NHCUHLMSSA-N 2 1 343.515 3.185 20 0 EGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](C[C@@H]3CC=CCC3)CC[C@@H]21 ZINC001201410037 1369538897 /nfs/dbraw/zinc/53/88/97/1369538897.db2.gz HATRPBDGZGLCAK-CGXNFDGLSA-N 2 1 342.531 3.413 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](C[C@@H]3CC=CCC3)CC[C@@H]21 ZINC001201410037 1369538899 /nfs/dbraw/zinc/53/88/99/1369538899.db2.gz HATRPBDGZGLCAK-CGXNFDGLSA-N 2 1 342.531 3.413 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](C[C@@H]3CC=CCC3)CC[C@@H]21 ZINC001201410037 1369538902 /nfs/dbraw/zinc/53/89/02/1369538902.db2.gz HATRPBDGZGLCAK-CGXNFDGLSA-N 2 1 342.531 3.413 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001201503824 1369558652 /nfs/dbraw/zinc/55/86/52/1369558652.db2.gz SCOCGBLFWOSVFX-MTFMMBMASA-N 2 1 338.536 3.013 20 0 EGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCCc1ccccc1)C2 ZINC001201662071 1369599815 /nfs/dbraw/zinc/59/98/15/1369599815.db2.gz DSVYCZQWSGOVFT-UHFFFAOYSA-N 2 1 326.488 3.172 20 0 EGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCCc1ccccc1)C2 ZINC001201662071 1369599818 /nfs/dbraw/zinc/59/98/18/1369599818.db2.gz DSVYCZQWSGOVFT-UHFFFAOYSA-N 2 1 326.488 3.172 20 0 EGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCCc1ccccc1)C2 ZINC001201662071 1369599824 /nfs/dbraw/zinc/59/98/24/1369599824.db2.gz DSVYCZQWSGOVFT-UHFFFAOYSA-N 2 1 326.488 3.172 20 0 EGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCCc1ccccc1)C2 ZINC001201662071 1369599828 /nfs/dbraw/zinc/59/98/28/1369599828.db2.gz DSVYCZQWSGOVFT-UHFFFAOYSA-N 2 1 326.488 3.172 20 0 EGADMP CSCCC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001201680152 1369604939 /nfs/dbraw/zinc/60/49/39/1369604939.db2.gz BKEJBCGPNWWSOW-IBGZPJMESA-N 2 1 348.556 3.495 20 0 EGADMP CSCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001201690046 1369606741 /nfs/dbraw/zinc/60/67/41/1369606741.db2.gz OVPMRSNBUMLRMI-WDSOQIARSA-N 2 1 333.545 3.367 20 0 EGADMP CSCCC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001201690046 1369606746 /nfs/dbraw/zinc/60/67/46/1369606746.db2.gz OVPMRSNBUMLRMI-WDSOQIARSA-N 2 1 333.545 3.367 20 0 EGADMP CSCCC[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001201690046 1369606750 /nfs/dbraw/zinc/60/67/50/1369606750.db2.gz OVPMRSNBUMLRMI-WDSOQIARSA-N 2 1 333.545 3.367 20 0 EGADMP CSCCC[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001201690046 1369606753 /nfs/dbraw/zinc/60/67/53/1369606753.db2.gz OVPMRSNBUMLRMI-WDSOQIARSA-N 2 1 333.545 3.367 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001202139064 1369698590 /nfs/dbraw/zinc/69/85/90/1369698590.db2.gz LUQVLWKKMBCCEM-HXUWFJFHSA-N 2 1 343.515 3.327 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001202144813 1369700578 /nfs/dbraw/zinc/70/05/78/1369700578.db2.gz KDHKYGQUPLAFIA-RURPWVQCSA-N 2 1 349.563 3.435 20 0 EGADMP C[N@@H+](CC(=O)N1CCC([NH2+]CCC2=CCCCC2)CC1)CC(C)(C)C ZINC001202540026 1369802526 /nfs/dbraw/zinc/80/25/26/1369802526.db2.gz SNCLAPKMYPTKTE-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CC3CCOCC3)C[C@H]21 ZINC001202579268 1369811528 /nfs/dbraw/zinc/81/15/28/1369811528.db2.gz QAKISIYYORPKLP-HMXCVIKNSA-N 2 1 343.515 3.041 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CC3CCOCC3)C[C@H]21 ZINC001202579268 1369811532 /nfs/dbraw/zinc/81/15/32/1369811532.db2.gz QAKISIYYORPKLP-HMXCVIKNSA-N 2 1 343.515 3.041 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC001202579268 1369811539 /nfs/dbraw/zinc/81/15/39/1369811539.db2.gz QAKISIYYORPKLP-HMXCVIKNSA-N 2 1 343.515 3.041 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]21 ZINC001202579268 1369811551 /nfs/dbraw/zinc/81/15/51/1369811551.db2.gz QAKISIYYORPKLP-HMXCVIKNSA-N 2 1 343.515 3.041 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001202771317 1369885547 /nfs/dbraw/zinc/88/55/47/1369885547.db2.gz AXIDXAYNQHOJAZ-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP CN(CC[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC001202994970 1369949340 /nfs/dbraw/zinc/94/93/40/1369949340.db2.gz HAGWRZAYIRSNNH-QGZVFWFLSA-N 2 1 339.524 3.194 20 0 EGADMP CN(CC[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC001202994970 1369949344 /nfs/dbraw/zinc/94/93/44/1369949344.db2.gz HAGWRZAYIRSNNH-QGZVFWFLSA-N 2 1 339.524 3.194 20 0 EGADMP CC(C)N1CCOC[C@]2(CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001203027295 1369959010 /nfs/dbraw/zinc/95/90/10/1369959010.db2.gz YXHVJJPYRUWBLB-QFIPXVFZSA-N 2 1 342.527 3.498 20 0 EGADMP CC(C)N1CCOC[C@]2(CCC[N@@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001203027295 1369959013 /nfs/dbraw/zinc/95/90/13/1369959013.db2.gz YXHVJJPYRUWBLB-QFIPXVFZSA-N 2 1 342.527 3.498 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001203027295 1369959017 /nfs/dbraw/zinc/95/90/17/1369959017.db2.gz YXHVJJPYRUWBLB-QFIPXVFZSA-N 2 1 342.527 3.498 20 0 EGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001203027295 1369959019 /nfs/dbraw/zinc/95/90/19/1369959019.db2.gz YXHVJJPYRUWBLB-QFIPXVFZSA-N 2 1 342.527 3.498 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001203027295 1369959023 /nfs/dbraw/zinc/95/90/23/1369959023.db2.gz YXHVJJPYRUWBLB-QFIPXVFZSA-N 2 1 342.527 3.498 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001203027295 1369959026 /nfs/dbraw/zinc/95/90/26/1369959026.db2.gz YXHVJJPYRUWBLB-QFIPXVFZSA-N 2 1 342.527 3.498 20 0 EGADMP Cc1cncc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)n1 ZINC001203165416 1370007052 /nfs/dbraw/zinc/00/70/52/1370007052.db2.gz GKVBKYGGMVVPCT-LJQANCHMSA-N 2 1 340.471 3.255 20 0 EGADMP CCc1[nH]c(CN2CCC([N@H+](C)Cc3ccccc3)CC2)c(C)[nH+]1 ZINC001203242380 1370036950 /nfs/dbraw/zinc/03/69/50/1370036950.db2.gz ADLXNLRWUMUKNK-UHFFFAOYSA-N 2 1 326.488 3.377 20 0 EGADMP CCc1[nH]c(CN2CCC([N@@H+](C)Cc3ccccc3)CC2)c(C)[nH+]1 ZINC001203242380 1370036954 /nfs/dbraw/zinc/03/69/54/1370036954.db2.gz ADLXNLRWUMUKNK-UHFFFAOYSA-N 2 1 326.488 3.377 20 0 EGADMP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203420943 1370118539 /nfs/dbraw/zinc/11/85/39/1370118539.db2.gz XZTXBRUCKQUBQN-ZWKOTPCHSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203419781 1370118721 /nfs/dbraw/zinc/11/87/21/1370118721.db2.gz NKBDVGKTTBFULQ-IAGOWNOFSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203640882 1370197603 /nfs/dbraw/zinc/19/76/03/1370197603.db2.gz JVBASCUNGBYILF-ROUUACIJSA-N 2 1 349.563 3.172 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001203700122 1370225424 /nfs/dbraw/zinc/22/54/24/1370225424.db2.gz HLVIFYXINBQSEL-LJQANCHMSA-N 2 1 344.499 3.235 20 0 EGADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001203700122 1370225427 /nfs/dbraw/zinc/22/54/27/1370225427.db2.gz HLVIFYXINBQSEL-LJQANCHMSA-N 2 1 344.499 3.235 20 0 EGADMP Cc1cc(C)c(C[NH+]2CCN(CC3CC[NH+](C)CC3)CC2)c(C)c1 ZINC001203740319 1370243627 /nfs/dbraw/zinc/24/36/27/1370243627.db2.gz HHBAFQOVHKDIGJ-UHFFFAOYSA-N 2 1 329.532 3.071 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001115249867 1370344716 /nfs/dbraw/zinc/34/47/16/1370344716.db2.gz OHBCOKLSJOVWRL-NXEFXDMPSA-N 2 1 347.547 3.045 20 0 EGADMP Oc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc1 ZINC001204093084 1370376019 /nfs/dbraw/zinc/37/60/19/1370376019.db2.gz AGDQJRPKSNWMRP-UHFFFAOYSA-N 2 1 326.440 3.473 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CCC[C@@]1(C)O ZINC001204263096 1370425168 /nfs/dbraw/zinc/42/51/68/1370425168.db2.gz GOOUIUONOWEHOX-FXAWDEMLSA-N 2 1 334.504 3.000 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC001204266912 1370426970 /nfs/dbraw/zinc/42/69/70/1370426970.db2.gz AZKOBTAOBGDJKN-HXUWFJFHSA-N 2 1 339.483 3.402 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC001204267383 1370427375 /nfs/dbraw/zinc/42/73/75/1370427375.db2.gz RMHQHZLNLMJWSX-UYAOXDASSA-N 2 1 332.488 3.018 20 0 EGADMP COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204269239 1370427655 /nfs/dbraw/zinc/42/76/55/1370427655.db2.gz YAEMSKMRXMOATD-LJQANCHMSA-N 2 1 334.504 3.407 20 0 EGADMP Cn1cncc1C[N@@H+]1C[C@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001204385449 1370462718 /nfs/dbraw/zinc/46/27/18/1370462718.db2.gz KFZTVAVMDZHIKK-ATZDWAIDSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cncc1C[N@H+]1C[C@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001204385449 1370462723 /nfs/dbraw/zinc/46/27/23/1370462723.db2.gz KFZTVAVMDZHIKK-ATZDWAIDSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cncc1C[NH+]1C[C@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001204385449 1370462725 /nfs/dbraw/zinc/46/27/25/1370462725.db2.gz KFZTVAVMDZHIKK-ATZDWAIDSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cncc1C[NH+]1C[C@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001204385449 1370462730 /nfs/dbraw/zinc/46/27/30/1370462730.db2.gz KFZTVAVMDZHIKK-ATZDWAIDSA-N 2 1 344.528 3.214 20 0 EGADMP Cc1nn(C)cc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001204583809 1370523402 /nfs/dbraw/zinc/52/34/02/1370523402.db2.gz FJYQOULKGREIIF-VQTJNVASSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1nn(C)cc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001204583809 1370523405 /nfs/dbraw/zinc/52/34/05/1370523405.db2.gz FJYQOULKGREIIF-VQTJNVASSA-N 2 1 338.499 3.073 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCCC1 ZINC001115535349 1370532003 /nfs/dbraw/zinc/53/20/03/1370532003.db2.gz SJFQLJQDODCXDL-IAGOWNOFSA-N 2 1 341.515 3.016 20 0 EGADMP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115535247 1370532440 /nfs/dbraw/zinc/53/24/40/1370532440.db2.gz OVQPWFTVWUTTFB-SFHVURJKSA-N 2 1 337.552 3.458 20 0 EGADMP CCCCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001115544962 1370542008 /nfs/dbraw/zinc/54/20/08/1370542008.db2.gz KCDUGBHYEVKLMS-QZTJIDSGSA-N 2 1 337.552 3.316 20 0 EGADMP COc1c(Cl)ccc(F)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204743028 1370562208 /nfs/dbraw/zinc/56/22/08/1370562208.db2.gz XSBPBTUCGSYEHO-UHFFFAOYSA-N 2 1 326.843 3.453 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115563331 1370563199 /nfs/dbraw/zinc/56/31/99/1370563199.db2.gz RPTYGSAIDXEONW-IBGZPJMESA-N 2 1 349.563 3.460 20 0 EGADMP Cc1ccccc1N(C)c1ccc(C[N@@H+]2CCO[C@H](CC[NH3+])C2)cc1 ZINC001204756669 1370567558 /nfs/dbraw/zinc/56/75/58/1370567558.db2.gz ROPASIITWRNTFV-HXUWFJFHSA-N 2 1 339.483 3.313 20 0 EGADMP Cc1ccccc1N(C)c1ccc(C[N@H+]2CCO[C@H](CC[NH3+])C2)cc1 ZINC001204756669 1370567563 /nfs/dbraw/zinc/56/75/63/1370567563.db2.gz ROPASIITWRNTFV-HXUWFJFHSA-N 2 1 339.483 3.313 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579271 1370582707 /nfs/dbraw/zinc/58/27/07/1370582707.db2.gz FXAGQTVOWYJOJL-GOSISDBHSA-N 2 1 335.536 3.236 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001205008843 1370626928 /nfs/dbraw/zinc/62/69/28/1370626928.db2.gz FKNKIZRUZIJGTI-GFCCVEGCSA-N 2 1 336.277 3.362 20 0 EGADMP CC(C)Oc1ccc(Br)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205041484 1370636701 /nfs/dbraw/zinc/63/67/01/1370636701.db2.gz VDTNKLQTXFOPGX-UHFFFAOYSA-N 2 1 341.293 3.407 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([NH3+])CC3)cc2)cc1 ZINC001205124101 1370658070 /nfs/dbraw/zinc/65/80/70/1370658070.db2.gz KFFRKTJTPZXIHR-HXUWFJFHSA-N 2 1 338.451 3.453 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC001205208123 1370680382 /nfs/dbraw/zinc/68/03/82/1370680382.db2.gz AMFZUYKOIZGHBJ-GOSISDBHSA-N 2 1 334.847 3.276 20 0 EGADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)c(F)c1)C2 ZINC001205223304 1370687200 /nfs/dbraw/zinc/68/72/00/1370687200.db2.gz ZCTZLQSKPYEKNZ-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)c(F)c1)C2 ZINC001205223304 1370687201 /nfs/dbraw/zinc/68/72/01/1370687201.db2.gz ZCTZLQSKPYEKNZ-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C)c(F)c1)C2 ZINC001205223304 1370687206 /nfs/dbraw/zinc/68/72/06/1370687206.db2.gz ZCTZLQSKPYEKNZ-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C)c(F)c1)C2 ZINC001205223304 1370687207 /nfs/dbraw/zinc/68/72/07/1370687207.db2.gz ZCTZLQSKPYEKNZ-CTNGQTDRSA-N 2 1 346.490 3.314 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)CC1 ZINC001205248161 1370694545 /nfs/dbraw/zinc/69/45/45/1370694545.db2.gz NIHLCJGUOLEFIF-LJQANCHMSA-N 2 1 345.874 3.078 20 0 EGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3cc(Br)cnc23)CC1 ZINC001205281036 1370705199 /nfs/dbraw/zinc/70/51/99/1370705199.db2.gz OKHUIZYYXGQMPH-OAHLLOKOSA-N 2 1 337.265 3.029 20 0 EGADMP CC(C)CCC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115729930 1370712339 /nfs/dbraw/zinc/71/23/39/1370712339.db2.gz YHUVIMWNAQBVFM-SFHVURJKSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730484 1370713027 /nfs/dbraw/zinc/71/30/27/1370713027.db2.gz LAURHRBNWBEJLF-ROUUACIJSA-N 2 1 337.552 3.029 20 0 EGADMP COC1CC[NH+](C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)CC1 ZINC001205306288 1370715039 /nfs/dbraw/zinc/71/50/39/1370715039.db2.gz YJHMFAPOIPIFQE-UHFFFAOYSA-N 2 1 327.472 3.243 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001115769033 1370753238 /nfs/dbraw/zinc/75/32/38/1370753238.db2.gz SLJMISLMBZSHCI-ROUUACIJSA-N 2 1 335.536 3.212 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001115776146 1370759389 /nfs/dbraw/zinc/75/93/89/1370759389.db2.gz KTWSISOPSWBNRR-UHFFFAOYSA-N 2 1 337.552 3.317 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001205526109 1370781614 /nfs/dbraw/zinc/78/16/14/1370781614.db2.gz DMROSWRKIQAZMS-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP COC(=O)CCCCCCCCC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545318 1370786927 /nfs/dbraw/zinc/78/69/27/1370786927.db2.gz CYSQHRIJGNAWFQ-SFHVURJKSA-N 2 1 330.488 3.433 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCC1 ZINC001115806363 1370789950 /nfs/dbraw/zinc/78/99/50/1370789950.db2.gz VFJKCSLPVOLILE-QRVBRYPASA-N 2 1 349.563 3.173 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(OC(F)(F)F)c1 ZINC001205627170 1370816311 /nfs/dbraw/zinc/81/63/11/1370816311.db2.gz NKIKXKIWQRJQSM-OLZOCXBDSA-N 2 1 346.393 3.401 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(OC)cc1Cl ZINC001205638624 1370822847 /nfs/dbraw/zinc/82/28/47/1370822847.db2.gz QDIDOCULARNJFC-CHWSQXEVSA-N 2 1 326.868 3.164 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205653279 1370828292 /nfs/dbraw/zinc/82/82/92/1370828292.db2.gz SKIFXXRGRAMDLT-LSDHHAIUSA-N 2 1 332.879 3.333 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cncc(OCc3ccccc3)c2)CC[C@H]1C[NH3+] ZINC001205652213 1370828630 /nfs/dbraw/zinc/82/86/30/1370828630.db2.gz OMVQLXGSARIXOU-XLIONFOSSA-N 2 1 339.483 3.467 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(O)cc2OC(F)(F)F)CC[C@H]1C[NH3+] ZINC001205653359 1370828948 /nfs/dbraw/zinc/82/89/48/1370828948.db2.gz SWFAXTVRVSPZBK-RYUDHWBXSA-N 2 1 332.366 3.098 20 0 EGADMP COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1C ZINC001205677709 1370839508 /nfs/dbraw/zinc/83/95/08/1370839508.db2.gz GNFSMKCJFDULEM-UHFFFAOYSA-N 2 1 340.467 3.475 20 0 EGADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC001205705116 1370847187 /nfs/dbraw/zinc/84/71/87/1370847187.db2.gz KCWHSUOZLVFPKR-MRXNPFEDSA-N 2 1 329.448 3.029 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC001205705116 1370847192 /nfs/dbraw/zinc/84/71/92/1370847192.db2.gz KCWHSUOZLVFPKR-MRXNPFEDSA-N 2 1 329.448 3.029 20 0 EGADMP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205781293 1370867933 /nfs/dbraw/zinc/86/79/33/1370867933.db2.gz VUGPNGGINGGBFG-GFCCVEGCSA-N 2 1 338.320 3.310 20 0 EGADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205781293 1370867936 /nfs/dbraw/zinc/86/79/36/1370867936.db2.gz VUGPNGGINGGBFG-GFCCVEGCSA-N 2 1 338.320 3.310 20 0 EGADMP CN(C)c1ccc2cc(C[N@@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)ccc2c1 ZINC001205781410 1370868052 /nfs/dbraw/zinc/86/80/52/1370868052.db2.gz WXBPNIVFRRYCGK-KRWDZBQOSA-N 2 1 333.426 3.322 20 0 EGADMP CN(C)c1ccc2cc(C[N@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)ccc2c1 ZINC001205781410 1370868055 /nfs/dbraw/zinc/86/80/55/1370868055.db2.gz WXBPNIVFRRYCGK-KRWDZBQOSA-N 2 1 333.426 3.322 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3nc(Cl)ccc3c2)CCC1(F)F ZINC001205787118 1370870295 /nfs/dbraw/zinc/87/02/95/1370870295.db2.gz FWCXCEZDKBTDFA-CYBMUJFWSA-N 2 1 325.790 3.304 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3nc(Cl)ccc3c2)CCC1(F)F ZINC001205787118 1370870304 /nfs/dbraw/zinc/87/03/04/1370870304.db2.gz FWCXCEZDKBTDFA-CYBMUJFWSA-N 2 1 325.790 3.304 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1c[nH]c2cccc(Br)c12 ZINC001205901721 1370905204 /nfs/dbraw/zinc/90/52/04/1370905204.db2.gz FNQPZGZRKUMAKF-NWDGAFQWSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2cccc(Br)c12 ZINC001205901721 1370905206 /nfs/dbraw/zinc/90/52/06/1370905206.db2.gz FNQPZGZRKUMAKF-NWDGAFQWSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(Br)ccc1N(C)C ZINC001205916065 1370909435 /nfs/dbraw/zinc/90/94/35/1370909435.db2.gz RPCWDHUQVYQUSC-QWHCGFSZSA-N 2 1 340.309 3.074 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(Br)ccc1N(C)C ZINC001205916065 1370909438 /nfs/dbraw/zinc/90/94/38/1370909438.db2.gz RPCWDHUQVYQUSC-QWHCGFSZSA-N 2 1 340.309 3.074 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1[nH]nc2cc(C(F)(F)F)ccc21 ZINC001205923293 1370912249 /nfs/dbraw/zinc/91/22/49/1370912249.db2.gz MDGIZDYAYCWMMN-WDEREUQCSA-N 2 1 326.366 3.141 20 0 EGADMP C[C@H]1C[N@@H+](CCc2ccccc2Br)CCC[C@H]1C[NH3+] ZINC001205981903 1370929241 /nfs/dbraw/zinc/92/92/41/1370929241.db2.gz IVGQUNQKLFZKIM-ZFWWWQNUSA-N 2 1 325.294 3.298 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205991665 1370932389 /nfs/dbraw/zinc/93/23/89/1370932389.db2.gz BIJULQNBNRCISF-JXFKEZNVSA-N 2 1 340.515 3.355 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205991671 1370932472 /nfs/dbraw/zinc/93/24/72/1370932472.db2.gz BIJULQNBNRCISF-OXJNMPFZSA-N 2 1 340.515 3.355 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206012822 1370937743 /nfs/dbraw/zinc/93/77/43/1370937743.db2.gz ODGLXNSLSJKGAX-GJZGRUSLSA-N 2 1 332.879 3.333 20 0 EGADMP CCOC(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206023290 1370941485 /nfs/dbraw/zinc/94/14/85/1370941485.db2.gz FQHWXUYVOPGSGS-KBPBESRZSA-N 2 1 338.879 3.324 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2NC(=O)C(C)(C)C)CCC[C@H]1C[NH3+] ZINC001206026290 1370941988 /nfs/dbraw/zinc/94/19/88/1370941988.db2.gz RHVWLWOMNXTATO-HOTGVXAUSA-N 2 1 331.504 3.478 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C[C@@H]1C ZINC001206110308 1370962198 /nfs/dbraw/zinc/96/21/98/1370962198.db2.gz SUIUJVCXYKLJKP-CVEARBPZSA-N 2 1 341.503 3.064 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(Cl)ncc2Br)CC1 ZINC001206310844 1371017744 /nfs/dbraw/zinc/01/77/44/1371017744.db2.gz DDIZZTGFVJFGQL-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(Cl)ncc2Br)CC1 ZINC001206310844 1371017750 /nfs/dbraw/zinc/01/77/50/1371017750.db2.gz DDIZZTGFVJFGQL-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP COc1ccc(-c2c(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)cnn2C)cc1 ZINC001206317254 1371019702 /nfs/dbraw/zinc/01/97/02/1371019702.db2.gz DNZHJNXQRZBANB-FQEVSTJZSA-N 2 1 342.487 3.047 20 0 EGADMP Cc1[nH+]ccn1CCCc1nnc([C@H](C)C[NH+]2CCC(C)CC2)o1 ZINC001117250424 1371028864 /nfs/dbraw/zinc/02/88/64/1371028864.db2.gz HWLUMAZMZQZWCG-OAHLLOKOSA-N 2 1 331.464 3.043 20 0 EGADMP Cc1cc(Br)c(F)cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC001206500942 1371074564 /nfs/dbraw/zinc/07/45/64/1371074564.db2.gz WMJCIPGSHJLFHU-UHFFFAOYSA-N 2 1 329.257 3.457 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cccn2Cc2cnc(Cl)s2)C1 ZINC001206624323 1371111657 /nfs/dbraw/zinc/11/16/57/1371111657.db2.gz UROUVEMFVRWBQB-CYBMUJFWSA-N 2 1 338.908 3.207 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccn2Cc2cnc(Cl)s2)C1 ZINC001206624323 1371111658 /nfs/dbraw/zinc/11/16/58/1371111658.db2.gz UROUVEMFVRWBQB-CYBMUJFWSA-N 2 1 338.908 3.207 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206649847 1371119781 /nfs/dbraw/zinc/11/97/81/1371119781.db2.gz ZXOKIBCWJNFYTA-MRXNPFEDSA-N 2 1 325.456 3.318 20 0 EGADMP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118243714 1371153198 /nfs/dbraw/zinc/15/31/98/1371153198.db2.gz ZHVHHCAJOPSOFO-UHFFFAOYSA-N 2 1 328.435 3.181 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccc(F)cc1OCC[NH+](C)C ZINC001206748625 1371153251 /nfs/dbraw/zinc/15/32/51/1371153251.db2.gz MOTJKINSBVRGJB-UHFFFAOYSA-N 2 1 332.423 3.279 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c2c(OC)cccc12 ZINC001206767742 1371157800 /nfs/dbraw/zinc/15/78/00/1371157800.db2.gz DXAOGIIGECRYPS-LSDHHAIUSA-N 2 1 328.456 3.416 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001206780358 1371163581 /nfs/dbraw/zinc/16/35/81/1371163581.db2.gz WZSPTGPVDIJNHD-INIZCTEOSA-N 2 1 349.494 3.057 20 0 EGADMP Cc1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1C ZINC001206797122 1371171194 /nfs/dbraw/zinc/17/11/94/1371171194.db2.gz UPXRNXIYRRMICD-VQTJNVASSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1ncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1C ZINC001206797122 1371171195 /nfs/dbraw/zinc/17/11/95/1371171195.db2.gz UPXRNXIYRRMICD-VQTJNVASSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1ncc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1C ZINC001206797122 1371171205 /nfs/dbraw/zinc/17/12/05/1371171205.db2.gz UPXRNXIYRRMICD-VQTJNVASSA-N 3 1 338.499 3.073 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953358 1371244072 /nfs/dbraw/zinc/24/40/72/1371244072.db2.gz FETFCWZPGBKYLH-HXUWFJFHSA-N 2 1 345.531 3.308 20 0 EGADMP Cc1ncsc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001206989204 1371260133 /nfs/dbraw/zinc/26/01/33/1371260133.db2.gz WTLXNQYRETXADY-UHFFFAOYSA-N 2 1 342.512 3.335 20 0 EGADMP CCN1CCO[C@@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207185542 1371323056 /nfs/dbraw/zinc/32/30/56/1371323056.db2.gz JOXCEOIGGOTGOU-PBWTXFEYSA-N 2 1 334.891 3.096 20 0 EGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207185542 1371323059 /nfs/dbraw/zinc/32/30/59/1371323059.db2.gz JOXCEOIGGOTGOU-PBWTXFEYSA-N 2 1 334.891 3.096 20 0 EGADMP CC[N@H+]1CCO[C@@H]2C[NH+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207185542 1371323061 /nfs/dbraw/zinc/32/30/61/1371323061.db2.gz JOXCEOIGGOTGOU-PBWTXFEYSA-N 2 1 334.891 3.096 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C1CCN(C)CC1 ZINC001207194284 1371325827 /nfs/dbraw/zinc/32/58/27/1371325827.db2.gz RVSMKLMPJCKSRU-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001207314183 1371358466 /nfs/dbraw/zinc/35/84/66/1371358466.db2.gz UJLGRXBCSVCIGZ-KRWDZBQOSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)CC1 ZINC001207395581 1371383766 /nfs/dbraw/zinc/38/37/66/1371383766.db2.gz WELHAJLZAKGEGK-CGTJXYLNSA-N 2 1 347.528 3.124 20 0 EGADMP C[NH+]1CCC(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001207399201 1371384096 /nfs/dbraw/zinc/38/40/96/1371384096.db2.gz HTOKQAUWPFQMLJ-KSZLIROESA-N 2 1 336.520 3.303 20 0 EGADMP CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)[N@H+]1CC1CC[NH+](C)CC1 ZINC001207401525 1371386187 /nfs/dbraw/zinc/38/61/87/1371386187.db2.gz ORIBNYPRNNJWTL-VQTJNVASSA-N 2 1 344.499 3.487 20 0 EGADMP c1ccc(C[C@H]2[C@H](OCC3CC3)CC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC001207436973 1371395424 /nfs/dbraw/zinc/39/54/24/1371395424.db2.gz MVDRFEQURZTXAL-LEWJYISDSA-N 2 1 328.500 3.098 20 0 EGADMP FC1(F)CC[N@@H+](CC2CC[NH2+]CC2)C[C@]12CCN(c1ccccc1)C2 ZINC001207435872 1371395471 /nfs/dbraw/zinc/39/54/71/1371395471.db2.gz ZAGVZWWBURICFN-IBGZPJMESA-N 2 1 349.469 3.224 20 0 EGADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001207467508 1371403614 /nfs/dbraw/zinc/40/36/14/1371403614.db2.gz GCQHKBCJQINYOO-HNNXBMFYSA-N 2 1 345.874 3.437 20 0 EGADMP C[N@@H+](CCC1CC[NH+](C)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001207488348 1371412129 /nfs/dbraw/zinc/41/21/29/1371412129.db2.gz ISMPRWWHMVTZQL-OAQYLSRUSA-N 2 1 329.532 3.315 20 0 EGADMP C[N@@H+](CCc1ccccc1Br)CC1CC[NH+](C)CC1 ZINC001207530476 1371426532 /nfs/dbraw/zinc/42/65/32/1371426532.db2.gz DRWBJWBIQVCMPK-UHFFFAOYSA-N 2 1 325.294 3.265 20 0 EGADMP C[C@H](CC[NH2+]Cc1cn(C)nc1C1CC1)[N@H+](C)Cc1ccccc1 ZINC001119953268 1371431764 /nfs/dbraw/zinc/43/17/64/1371431764.db2.gz DFUJNEVFOOPXMN-MRXNPFEDSA-N 2 1 326.488 3.298 20 0 EGADMP C[C@H](CC[NH2+]Cc1cn(C)nc1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001119953268 1371431768 /nfs/dbraw/zinc/43/17/68/1371431768.db2.gz DFUJNEVFOOPXMN-MRXNPFEDSA-N 2 1 326.488 3.298 20 0 EGADMP COc1cccc(CCC[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c1 ZINC001207573023 1371438763 /nfs/dbraw/zinc/43/87/63/1371438763.db2.gz POLSVVYDSFGNHN-UHFFFAOYSA-N 2 1 346.515 3.203 20 0 EGADMP COc1cccc(CCC[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c1 ZINC001207573023 1371438765 /nfs/dbraw/zinc/43/87/65/1371438765.db2.gz POLSVVYDSFGNHN-UHFFFAOYSA-N 2 1 346.515 3.203 20 0 EGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](CCCc2cccc(OC)c2)CC1 ZINC001207572837 1371439392 /nfs/dbraw/zinc/43/93/92/1371439392.db2.gz LWRYWOSOLGRRJR-HXUWFJFHSA-N 2 1 346.515 3.203 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](CCCc2cccc(OC)c2)CC1 ZINC001207572837 1371439395 /nfs/dbraw/zinc/43/93/95/1371439395.db2.gz LWRYWOSOLGRRJR-HXUWFJFHSA-N 2 1 346.515 3.203 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)C[C@@H]2C1 ZINC001119988983 1371443824 /nfs/dbraw/zinc/44/38/24/1371443824.db2.gz MOWFPISXZTUUCL-HRCADAONSA-N 2 1 330.501 3.096 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)C[C@@H]2C1 ZINC001119990949 1371445051 /nfs/dbraw/zinc/44/50/51/1371445051.db2.gz ZZNUZMJLCRXHHL-SOLBZPMBSA-N 2 1 325.456 3.103 20 0 EGADMP COC1CC[NH+](C2CC[NH+](CCCc3cccc(F)c3)CC2)CC1 ZINC001207604362 1371449344 /nfs/dbraw/zinc/44/93/44/1371449344.db2.gz NDZVBQVOKIEUPX-UHFFFAOYSA-N 2 1 334.479 3.334 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001207617757 1371453158 /nfs/dbraw/zinc/45/31/58/1371453158.db2.gz YTQFRKDLMOXVLD-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001207617757 1371453164 /nfs/dbraw/zinc/45/31/64/1371453164.db2.gz YTQFRKDLMOXVLD-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001207617757 1371453171 /nfs/dbraw/zinc/45/31/71/1371453171.db2.gz YTQFRKDLMOXVLD-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCCC1 ZINC001120207798 1371504240 /nfs/dbraw/zinc/50/42/40/1371504240.db2.gz GHRFIJMLLNEBAW-SJORKVTESA-N 2 1 341.515 3.018 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001120391848 1371559459 /nfs/dbraw/zinc/55/94/59/1371559459.db2.gz HWXMVRBSWZHZHW-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001120421769 1371569119 /nfs/dbraw/zinc/56/91/19/1371569119.db2.gz CXBPEMORNBGGJY-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208015057 1371569332 /nfs/dbraw/zinc/56/93/32/1371569332.db2.gz XBARVMGCEFTKAP-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120439648 1371577747 /nfs/dbraw/zinc/57/77/47/1371577747.db2.gz HTFIDKVQGPWXML-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120439648 1371577749 /nfs/dbraw/zinc/57/77/49/1371577749.db2.gz HTFIDKVQGPWXML-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001120439648 1371577751 /nfs/dbraw/zinc/57/77/51/1371577751.db2.gz HTFIDKVQGPWXML-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208049698 1371580289 /nfs/dbraw/zinc/58/02/89/1371580289.db2.gz QABIOFVYJZWPTK-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001208105602 1371596872 /nfs/dbraw/zinc/59/68/72/1371596872.db2.gz ABYKSXUYQCAMMW-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+](CC1(C)CC[NH+](C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208109910 1371597374 /nfs/dbraw/zinc/59/73/74/1371597374.db2.gz OVWHELCBROYVJP-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208129365 1371603802 /nfs/dbraw/zinc/60/38/02/1371603802.db2.gz UJKIQYHGKKVEOS-WYTZPYIFSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208129365 1371603810 /nfs/dbraw/zinc/60/38/10/1371603810.db2.gz UJKIQYHGKKVEOS-WYTZPYIFSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208129365 1371603812 /nfs/dbraw/zinc/60/38/12/1371603812.db2.gz UJKIQYHGKKVEOS-WYTZPYIFSA-N 2 1 349.563 3.434 20 0 EGADMP CC1=C[C@H](C)[C@H](C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001208166759 1371615536 /nfs/dbraw/zinc/61/55/36/1371615536.db2.gz BZSBOBCRSXPUOU-OALUTQOASA-N 2 1 342.531 3.329 20 0 EGADMP COc1ccc(O[C@@H]2CCC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)nc1 ZINC001208188868 1371629082 /nfs/dbraw/zinc/62/90/82/1371629082.db2.gz ONKDTBJROSSGNB-GOSISDBHSA-N 2 1 347.503 3.055 20 0 EGADMP COc1ccc(O[C@@H]2CCC[N@@H+](CC3(C[NH+](C)C)CCCC3)C2)nc1 ZINC001208188868 1371629089 /nfs/dbraw/zinc/62/90/89/1371629089.db2.gz ONKDTBJROSSGNB-GOSISDBHSA-N 2 1 347.503 3.055 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001208279089 1371696555 /nfs/dbraw/zinc/69/65/55/1371696555.db2.gz HLRXUDCYWIQQMS-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001208334753 1371722304 /nfs/dbraw/zinc/72/23/04/1371722304.db2.gz MBPQYGPNMGIMQJ-IAGOWNOFSA-N 2 1 346.519 3.167 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422787 1371762931 /nfs/dbraw/zinc/76/29/31/1371762931.db2.gz XZUDWRCJYKTUJY-PPVIZMFSSA-N 2 1 347.503 3.138 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422787 1371762936 /nfs/dbraw/zinc/76/29/36/1371762936.db2.gz XZUDWRCJYKTUJY-PPVIZMFSSA-N 2 1 347.503 3.138 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208474733 1371781317 /nfs/dbraw/zinc/78/13/17/1371781317.db2.gz OXNITVMSEHHNHP-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001208474470 1371781448 /nfs/dbraw/zinc/78/14/48/1371781448.db2.gz LSSDINOXQJDXNQ-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CC[C@@]2(CCN(C[C@@H]3CCCC[NH+]3Cc3ccccc3)C2)C1 ZINC001208589945 1371829411 /nfs/dbraw/zinc/82/94/11/1371829411.db2.gz AVAYRMAGKKSHFC-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CC[C@@]2(CCN(C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001208589945 1371829412 /nfs/dbraw/zinc/82/94/12/1371829412.db2.gz AVAYRMAGKKSHFC-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CC[C@@]2(CCN(C[C@@H]3CCCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001208589945 1371829416 /nfs/dbraw/zinc/82/94/16/1371829416.db2.gz AVAYRMAGKKSHFC-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP CN(CCC[NH+]1CCCC1)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208588674 1371830330 /nfs/dbraw/zinc/83/03/30/1371830330.db2.gz KFNRTVMHXDFTEQ-NRFANRHFSA-N 2 1 329.532 3.459 20 0 EGADMP C[N@@H+](C1CC1)[C@H]1CCN(C[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001208590815 1371830977 /nfs/dbraw/zinc/83/09/77/1371830977.db2.gz GKNCLOQYTHOJGD-LEWJYISDSA-N 2 1 327.516 3.210 20 0 EGADMP C[NH+](C1CC1)[C@H]1CCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001208590815 1371830981 /nfs/dbraw/zinc/83/09/81/1371830981.db2.gz GKNCLOQYTHOJGD-LEWJYISDSA-N 2 1 327.516 3.210 20 0 EGADMP C[NH+](C1CC1)[C@H]1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208590815 1371830984 /nfs/dbraw/zinc/83/09/84/1371830984.db2.gz GKNCLOQYTHOJGD-LEWJYISDSA-N 2 1 327.516 3.210 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC001208601385 1371836129 /nfs/dbraw/zinc/83/61/29/1371836129.db2.gz MYHVJVGNVOCDAU-HOTGVXAUSA-N 2 1 339.524 3.048 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)CC1 ZINC001208603018 1371837296 /nfs/dbraw/zinc/83/72/96/1371837296.db2.gz RSCHTONHFYXZEE-NRFANRHFSA-N 2 1 342.483 3.060 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2c2ccc(C(=O)OC)cc2)CC1 ZINC001208604341 1371837480 /nfs/dbraw/zinc/83/74/80/1371837480.db2.gz MHHLUWZSDARRBK-IBGZPJMESA-N 2 1 330.472 3.342 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C[C@H]3CCC[NH+](C)C3)C[C@@H]21 ZINC001208605488 1371838681 /nfs/dbraw/zinc/83/86/81/1371838681.db2.gz AQUPNCFTIFXUJQ-MQGJPIDWSA-N 2 1 341.543 3.439 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2CN(C[C@H]3CCC[N@H+](C)C3)C[C@@H]21 ZINC001208605488 1371838683 /nfs/dbraw/zinc/83/86/83/1371838683.db2.gz AQUPNCFTIFXUJQ-MQGJPIDWSA-N 2 1 341.543 3.439 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2CN(C[C@H]3CCC[N@@H+](C)C3)C[C@@H]21 ZINC001208605488 1371838686 /nfs/dbraw/zinc/83/86/86/1371838686.db2.gz AQUPNCFTIFXUJQ-MQGJPIDWSA-N 2 1 341.543 3.439 20 0 EGADMP COc1cc(C)ccc1OC1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208614304 1371841687 /nfs/dbraw/zinc/84/16/87/1371841687.db2.gz CEOCSXHPBKDBKR-QGZVFWFLSA-N 2 1 332.488 3.189 20 0 EGADMP C[N@@H+](Cc1cccc(F)c1)C1CCN(C[C@@H]2CCC[NH+](C)C2)CC1 ZINC001208615095 1371841843 /nfs/dbraw/zinc/84/18/43/1371841843.db2.gz GKAKRWCQZLXTOH-GOSISDBHSA-N 2 1 333.495 3.064 20 0 EGADMP C[NH+](Cc1cccc(F)c1)C1CCN(C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208615095 1371841847 /nfs/dbraw/zinc/84/18/47/1371841847.db2.gz GKAKRWCQZLXTOH-GOSISDBHSA-N 2 1 333.495 3.064 20 0 EGADMP C[NH+](Cc1cccc(F)c1)C1CCN(C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208615095 1371841849 /nfs/dbraw/zinc/84/18/49/1371841849.db2.gz GKAKRWCQZLXTOH-GOSISDBHSA-N 2 1 333.495 3.064 20 0 EGADMP C[N@H+]1CCC[C@@H](CN2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001208617245 1371844057 /nfs/dbraw/zinc/84/40/57/1371844057.db2.gz OAXKXMTZIMCHKD-SGCGGLILSA-N 2 1 343.559 3.223 20 0 EGADMP C[NH+]1CCC[C@@H](CN2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001208617245 1371844061 /nfs/dbraw/zinc/84/40/61/1371844061.db2.gz OAXKXMTZIMCHKD-SGCGGLILSA-N 2 1 343.559 3.223 20 0 EGADMP C[NH+]1CCC[C@@H](CN2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001208617245 1371844065 /nfs/dbraw/zinc/84/40/65/1371844065.db2.gz OAXKXMTZIMCHKD-SGCGGLILSA-N 2 1 343.559 3.223 20 0 EGADMP C[C@@H](CC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1)CC(C)(C)C ZINC001208660349 1371854592 /nfs/dbraw/zinc/85/45/92/1371854592.db2.gz OUXMQSCSSVDSPP-RDGPPVDQSA-N 2 1 347.551 3.135 20 0 EGADMP C[C@@H](CC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1)CC(C)(C)C ZINC001208660349 1371854595 /nfs/dbraw/zinc/85/45/95/1371854595.db2.gz OUXMQSCSSVDSPP-RDGPPVDQSA-N 2 1 347.551 3.135 20 0 EGADMP C[C@@H](CC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1)CC(C)(C)C ZINC001208660349 1371854597 /nfs/dbraw/zinc/85/45/97/1371854597.db2.gz OUXMQSCSSVDSPP-RDGPPVDQSA-N 2 1 347.551 3.135 20 0 EGADMP C[NH+]1CCC(C[NH+]2CCN(CCC(C)(C)c3ccccc3)CC2)CC1 ZINC001208668953 1371857133 /nfs/dbraw/zinc/85/71/33/1371857133.db2.gz DKZPLRGSRMAPFJ-UHFFFAOYSA-N 2 1 343.559 3.314 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208677247 1371857851 /nfs/dbraw/zinc/85/78/51/1371857851.db2.gz YCGTWGDRDODTDH-ZHALLVOQSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001208677247 1371857855 /nfs/dbraw/zinc/85/78/55/1371857855.db2.gz YCGTWGDRDODTDH-ZHALLVOQSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001208677247 1371857857 /nfs/dbraw/zinc/85/78/57/1371857857.db2.gz YCGTWGDRDODTDH-ZHALLVOQSA-N 2 1 345.531 3.162 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001121193818 1371885348 /nfs/dbraw/zinc/88/53/48/1371885348.db2.gz JEUUIJHETNNLNS-IKQKDXEZSA-N 2 1 349.563 3.314 20 0 EGADMP CC[C@H](CCC(=O)OC)C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001208783096 1371894515 /nfs/dbraw/zinc/89/45/15/1371894515.db2.gz OKQVGFSNDDDRLB-QGZVFWFLSA-N 2 1 336.520 3.306 20 0 EGADMP CCCC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121234033 1371902852 /nfs/dbraw/zinc/90/28/52/1371902852.db2.gz VZEATXLHNRNMGB-QAELIBMJSA-N 2 1 335.536 3.066 20 0 EGADMP Brc1ccccc1CCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001208844894 1371915274 /nfs/dbraw/zinc/91/52/74/1371915274.db2.gz HFHBIFQCOBEMMG-UHFFFAOYSA-N 2 1 334.261 3.137 20 0 EGADMP Brc1ccccc1CCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001208844894 1371915278 /nfs/dbraw/zinc/91/52/78/1371915278.db2.gz HFHBIFQCOBEMMG-UHFFFAOYSA-N 2 1 334.261 3.137 20 0 EGADMP C[C@H]1C[C@H]2C[N@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)CC[C@H]2O1 ZINC001208936136 1371951595 /nfs/dbraw/zinc/95/15/95/1371951595.db2.gz NIEJRBUIKZOKGU-FYZZASKESA-N 2 1 328.500 3.398 20 0 EGADMP C[C@H]1C[C@H]2C[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)CC[C@H]2O1 ZINC001208936136 1371951597 /nfs/dbraw/zinc/95/15/97/1371951597.db2.gz NIEJRBUIKZOKGU-FYZZASKESA-N 2 1 328.500 3.398 20 0 EGADMP C[C@H]1C[C@H]2C[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC[C@H]2O1 ZINC001208936136 1371951602 /nfs/dbraw/zinc/95/16/02/1371951602.db2.gz NIEJRBUIKZOKGU-FYZZASKESA-N 2 1 328.500 3.398 20 0 EGADMP C[C@H]1C[C@H]2C[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC[C@H]2O1 ZINC001208936136 1371951606 /nfs/dbraw/zinc/95/16/06/1371951606.db2.gz NIEJRBUIKZOKGU-FYZZASKESA-N 2 1 328.500 3.398 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@@]1(C)O ZINC001208932873 1371951695 /nfs/dbraw/zinc/95/16/95/1371951695.db2.gz RSMGADHWMMCSMU-HLAWJBBLSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@@]1(C)O ZINC001208932873 1371951698 /nfs/dbraw/zinc/95/16/98/1371951698.db2.gz RSMGADHWMMCSMU-HLAWJBBLSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@@]1(C)O ZINC001208932873 1371951701 /nfs/dbraw/zinc/95/17/01/1371951701.db2.gz RSMGADHWMMCSMU-HLAWJBBLSA-N 2 1 330.516 3.382 20 0 EGADMP CCOC(=O)C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208943222 1371957575 /nfs/dbraw/zinc/95/75/75/1371957575.db2.gz SCYAFGDSNXAORB-PMACEKPBSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)C[C@@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208943222 1371957578 /nfs/dbraw/zinc/95/75/78/1371957578.db2.gz SCYAFGDSNXAORB-PMACEKPBSA-N 2 1 344.499 3.174 20 0 EGADMP CCOC(=O)C[C@@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208943222 1371957581 /nfs/dbraw/zinc/95/75/81/1371957581.db2.gz SCYAFGDSNXAORB-PMACEKPBSA-N 2 1 344.499 3.174 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCC(c4ncccn4)CC3)C2)cc1 ZINC001208947218 1371958031 /nfs/dbraw/zinc/95/80/31/1371958031.db2.gz AAGHISSTLCMMTB-IBGZPJMESA-N 2 1 336.483 3.178 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142615 1372013553 /nfs/dbraw/zinc/01/35/53/1372013553.db2.gz SUTKJLPNVLKNCS-QRVBRYPASA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209142615 1372013556 /nfs/dbraw/zinc/01/35/56/1372013556.db2.gz SUTKJLPNVLKNCS-QRVBRYPASA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209142615 1372013558 /nfs/dbraw/zinc/01/35/58/1372013558.db2.gz SUTKJLPNVLKNCS-QRVBRYPASA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001209151085 1372016270 /nfs/dbraw/zinc/01/62/70/1372016270.db2.gz ZJHNCHPAGXAOEO-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001209151085 1372016276 /nfs/dbraw/zinc/01/62/76/1372016276.db2.gz ZJHNCHPAGXAOEO-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209159254 1372018981 /nfs/dbraw/zinc/01/89/81/1372018981.db2.gz ZFAXWYGIAVNWRF-XXCOWLKOSA-N 2 1 346.519 3.189 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209159254 1372018983 /nfs/dbraw/zinc/01/89/83/1372018983.db2.gz ZFAXWYGIAVNWRF-XXCOWLKOSA-N 2 1 346.519 3.189 20 0 EGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(CCCc1cccnc1)[C@H]2C ZINC001209173701 1372025061 /nfs/dbraw/zinc/02/50/61/1372025061.db2.gz GZMJYYFYNOEXLR-KRWDZBQOSA-N 2 1 341.503 3.128 20 0 EGADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C[C@H]4C[C@@H]4C)CC3)C2)cc1 ZINC001209411597 1372098485 /nfs/dbraw/zinc/09/84/85/1372098485.db2.gz CTVIIQXSKVFCAI-AZUAARDMSA-N 2 1 328.500 3.318 20 0 EGADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2CCC[NH+]2CCCCC2)O1 ZINC001209449714 1372109050 /nfs/dbraw/zinc/10/90/50/1372109050.db2.gz CKLKQNJFRFQLGL-VAMGGRTRSA-N 2 1 338.536 3.157 20 0 EGADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2CCC[NH+]2CCCCC2)O1 ZINC001209449714 1372109053 /nfs/dbraw/zinc/10/90/53/1372109053.db2.gz CKLKQNJFRFQLGL-VAMGGRTRSA-N 2 1 338.536 3.157 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3CN(CCC[NH+]4CCCCC4)C[C@H]32)cc1 ZINC001209449027 1372109102 /nfs/dbraw/zinc/10/91/02/1372109102.db2.gz QAJGIGPBGHUKTG-NHCUHLMSSA-N 2 1 327.516 3.069 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)c3coc([C@@H]4CCC[NH2+]4)n3)c2C1 ZINC001121915550 1372121792 /nfs/dbraw/zinc/12/17/92/1372121792.db2.gz GXRVNNDAWLNPQZ-INIZCTEOSA-N 2 1 340.427 3.077 20 0 EGADMP Cn1nc2ccccc2c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209540220 1372132213 /nfs/dbraw/zinc/13/22/13/1372132213.db2.gz STWDLKUFGJADCN-KDURUIRLSA-N 2 1 346.478 3.137 20 0 EGADMP Cn1nc2ccccc2c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209540220 1372132214 /nfs/dbraw/zinc/13/22/14/1372132214.db2.gz STWDLKUFGJADCN-KDURUIRLSA-N 2 1 346.478 3.137 20 0 EGADMP Cn1nc2ccccc2c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209540220 1372132215 /nfs/dbraw/zinc/13/22/15/1372132215.db2.gz STWDLKUFGJADCN-KDURUIRLSA-N 2 1 346.478 3.137 20 0 EGADMP Cn1nc2ccccc2c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209540220 1372132216 /nfs/dbraw/zinc/13/22/16/1372132216.db2.gz STWDLKUFGJADCN-KDURUIRLSA-N 2 1 346.478 3.137 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH]1 ZINC001209572247 1372140743 /nfs/dbraw/zinc/14/07/43/1372140743.db2.gz DYWXGMFOYMZLMK-DZFGPLHGSA-N 2 1 338.499 3.451 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH]1 ZINC001209572247 1372140747 /nfs/dbraw/zinc/14/07/47/1372140747.db2.gz DYWXGMFOYMZLMK-DZFGPLHGSA-N 2 1 338.499 3.451 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)[nH]1 ZINC001209572247 1372140749 /nfs/dbraw/zinc/14/07/49/1372140749.db2.gz DYWXGMFOYMZLMK-DZFGPLHGSA-N 2 1 338.499 3.451 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)[nH]1 ZINC001209572247 1372140751 /nfs/dbraw/zinc/14/07/51/1372140751.db2.gz DYWXGMFOYMZLMK-DZFGPLHGSA-N 2 1 338.499 3.451 20 0 EGADMP COc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)ccn1 ZINC001209640248 1372158716 /nfs/dbraw/zinc/15/87/16/1372158716.db2.gz YVPGRNWZVDLSHA-UHFFFAOYSA-N 2 1 341.455 3.171 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209930373 1372233830 /nfs/dbraw/zinc/23/38/30/1372233830.db2.gz BKXQVVKCLZKOLF-QGZVFWFLSA-N 2 1 334.508 3.167 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001210243114 1372302999 /nfs/dbraw/zinc/30/29/99/1372302999.db2.gz FVJARXRUJMQMCZ-RTBURBONSA-N 2 1 339.568 3.371 20 0 EGADMP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001210584395 1372384697 /nfs/dbraw/zinc/38/46/97/1372384697.db2.gz GYEHLVUONYAFLG-OALUTQOASA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210643783 1372398683 /nfs/dbraw/zinc/39/86/83/1372398683.db2.gz LEUYGAXEKIIKBC-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001210782290 1372425103 /nfs/dbraw/zinc/42/51/03/1372425103.db2.gz KIFLUKBSFHNDOV-RTBURBONSA-N 2 1 345.531 3.369 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001211257584 1372514156 /nfs/dbraw/zinc/51/41/56/1372514156.db2.gz UASWCXUWTSBIKM-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211309357 1372526401 /nfs/dbraw/zinc/52/64/01/1372526401.db2.gz BFQSYMCGRVVEEX-CQQBRXBZSA-N 2 1 335.536 3.045 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211374526 1372543416 /nfs/dbraw/zinc/54/34/16/1372543416.db2.gz HLNZFARGLLQOAZ-GUDVDZBRSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211374918 1372543608 /nfs/dbraw/zinc/54/36/08/1372543608.db2.gz SUERNWKSEGIJGO-RLLQIKCJSA-N 2 1 347.547 3.044 20 0 EGADMP Cc1[nH+]ccn1Cc1ccc(Nc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001213265307 1372870626 /nfs/dbraw/zinc/87/06/26/1372870626.db2.gz ADJVYHSRSBGYLE-UHFFFAOYSA-N 2 1 347.466 3.393 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(CC)CC)C1 ZINC001214662027 1373098629 /nfs/dbraw/zinc/09/86/29/1373098629.db2.gz QRJHJRPZNIAVOK-SOLBZPMBSA-N 2 1 348.535 3.269 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214890268 1373136537 /nfs/dbraw/zinc/13/65/37/1373136537.db2.gz UVRZGWVDJIYTCT-QRTFGMIHSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001215020049 1373157988 /nfs/dbraw/zinc/15/79/88/1373157988.db2.gz MDASDBUXGVNIJU-SJLPKXTDSA-N 2 1 337.552 3.122 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001188140152 1388248263 /nfs/dbraw/zinc/24/82/63/1388248263.db2.gz ZBPJSWIKZKUTBC-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@H]([NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C)c1ccc(F)cc1 ZINC001129423051 1373382172 /nfs/dbraw/zinc/38/21/72/1373382172.db2.gz OTYJDDNGOFMBHO-MOPGFXCFSA-N 2 1 349.494 3.246 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001129421769 1373382400 /nfs/dbraw/zinc/38/24/00/1373382400.db2.gz BSPCHWHXWDKPCC-OALUTQOASA-N 2 1 345.531 3.333 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129429912 1373383063 /nfs/dbraw/zinc/38/30/63/1373383063.db2.gz MQAMNWWFBXJFIW-FXAWDEMLSA-N 2 1 343.515 3.169 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)c1cccc2ccccc21 ZINC001129534887 1373394808 /nfs/dbraw/zinc/39/48/08/1373394808.db2.gz BXRYVTWUTIBPQJ-INIZCTEOSA-N 2 1 339.483 3.091 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001129855966 1373429684 /nfs/dbraw/zinc/42/96/84/1373429684.db2.gz KTZLUDJTMJHPND-IBGZPJMESA-N 2 1 345.531 3.064 20 0 EGADMP C[C@@H]1CCC[NH2+][C@H]1c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217702615 1373490650 /nfs/dbraw/zinc/49/06/50/1373490650.db2.gz MBHVPVWBDKJXGS-HYVNUMGLSA-N 2 1 326.444 3.120 20 0 EGADMP C[C@@H]1CCC[NH2+][C@H]1c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217702615 1373490653 /nfs/dbraw/zinc/49/06/53/1373490653.db2.gz MBHVPVWBDKJXGS-HYVNUMGLSA-N 2 1 326.444 3.120 20 0 EGADMP C[C@@H]1C[C@@H](OC[C@]2(C)C[N@@H+](Cc3ccccc3)CC(C)(C)O2)CC[NH2+]1 ZINC001217791731 1373500309 /nfs/dbraw/zinc/50/03/09/1373500309.db2.gz PEWHSWYSEMYKAW-LMNJBCLMSA-N 2 1 346.515 3.213 20 0 EGADMP c1ccc(C(c2ccccc2)[NH+]2CC(OC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001217828850 1373505191 /nfs/dbraw/zinc/50/51/91/1373505191.db2.gz YYYBULICUTUGQO-GOSISDBHSA-N 2 1 336.479 3.476 20 0 EGADMP CC1(C)[NH2+][C@@H](CO[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC001217847164 1373506811 /nfs/dbraw/zinc/50/68/11/1373506811.db2.gz DSJQITVKHGEAID-ZWKOTPCHSA-N 2 1 332.488 3.028 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001130708784 1373583132 /nfs/dbraw/zinc/58/31/32/1373583132.db2.gz HVOKAXNFPIQPEF-AZUAARDMSA-N 2 1 345.531 3.191 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C(C)C ZINC001130713145 1373583681 /nfs/dbraw/zinc/58/36/81/1373583681.db2.gz DIWWLRMOUUEVHR-FQEVSTJZSA-N 2 1 345.531 3.136 20 0 EGADMP [NH3+]CCc1ccc(O[C@H]2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)cc1 ZINC001218341206 1373600717 /nfs/dbraw/zinc/60/07/17/1373600717.db2.gz JRBHRBWTNBIRHL-XVAYZXCPSA-N 2 1 336.479 3.477 20 0 EGADMP C[C@@H]1[NH2+]C[C@H]1Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@H+](C)CC3 ZINC001218385362 1373604341 /nfs/dbraw/zinc/60/43/41/1373604341.db2.gz HJNHOHDYIMWNOY-RXLLHPONSA-N 2 1 326.484 3.114 20 0 EGADMP c1ccc(C[N@@H+]2CCc3nc(O[C@H]4C[NH2+]CCC45CC5)ccc3C2)cc1 ZINC001218398540 1373606792 /nfs/dbraw/zinc/60/67/92/1373606792.db2.gz GJKBOAQYHFFPMS-FQEVSTJZSA-N 2 1 349.478 3.161 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(O[C@H]4C[NH2+]CCC45CC5)ccc3C2)cc1 ZINC001218398540 1373606798 /nfs/dbraw/zinc/60/67/98/1373606798.db2.gz GJKBOAQYHFFPMS-FQEVSTJZSA-N 2 1 349.478 3.161 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN3CCC[C@@]4(CCCC[NH2+]4)C3)C2)cc1 ZINC001222385759 1373831494 /nfs/dbraw/zinc/83/14/94/1373831494.db2.gz VZIWRBJHZRXZPO-SFTDATJTSA-N 2 1 327.516 3.117 20 0 EGADMP c1cc(C2CCCCC2)ccc1C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222515236 1373851123 /nfs/dbraw/zinc/85/11/23/1373851123.db2.gz OGBAOXPUROODQD-SFTDATJTSA-N 2 1 327.516 3.260 20 0 EGADMP c1cc(C2CCCCC2)ccc1C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222515236 1373851124 /nfs/dbraw/zinc/85/11/24/1373851124.db2.gz OGBAOXPUROODQD-SFTDATJTSA-N 2 1 327.516 3.260 20 0 EGADMP c1cc(C2CCCCC2)ccc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222515236 1373851125 /nfs/dbraw/zinc/85/11/25/1373851125.db2.gz OGBAOXPUROODQD-SFTDATJTSA-N 2 1 327.516 3.260 20 0 EGADMP CCCCCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001224795475 1375077590 /nfs/dbraw/zinc/07/75/90/1375077590.db2.gz IKFCVKXDQVUDBO-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)C[N@H+]1CCCCCF ZINC001132132427 1375162839 /nfs/dbraw/zinc/16/28/39/1375162839.db2.gz QVEKBSQGOHQYOU-GDBMZVCRSA-N 2 1 346.450 3.285 20 0 EGADMP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccccc2F)C1 ZINC001132152679 1375173198 /nfs/dbraw/zinc/17/31/98/1375173198.db2.gz HIXFGCYUGAZMOS-WBVHZDCISA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccccc2F)C1 ZINC001132152679 1375173202 /nfs/dbraw/zinc/17/32/02/1375173202.db2.gz HIXFGCYUGAZMOS-WBVHZDCISA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2F)C1 ZINC001132152679 1375173205 /nfs/dbraw/zinc/17/32/05/1375173205.db2.gz HIXFGCYUGAZMOS-WBVHZDCISA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2F)C1 ZINC001132152679 1375173210 /nfs/dbraw/zinc/17/32/10/1375173210.db2.gz HIXFGCYUGAZMOS-WBVHZDCISA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CC(C)(C)C2)C1 ZINC001132153137 1375173438 /nfs/dbraw/zinc/17/34/38/1375173438.db2.gz NRIJMKALRWNPOF-NVXWUHKLSA-N 2 1 337.552 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CC(C)(C)C2)C1 ZINC001132153137 1375173441 /nfs/dbraw/zinc/17/34/41/1375173441.db2.gz NRIJMKALRWNPOF-NVXWUHKLSA-N 2 1 337.552 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CC(C)(C)C2)C1 ZINC001132153137 1375173444 /nfs/dbraw/zinc/17/34/44/1375173444.db2.gz NRIJMKALRWNPOF-NVXWUHKLSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CC1CCCCCC1 ZINC001132265566 1375254616 /nfs/dbraw/zinc/25/46/16/1375254616.db2.gz OQEQYFJAVMHTDK-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CCCC1CCCC1 ZINC001132265827 1375255400 /nfs/dbraw/zinc/25/54/00/1375255400.db2.gz TYBKAMFMTMHOCE-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132332845 1375313173 /nfs/dbraw/zinc/31/31/73/1375313173.db2.gz XILLPNVZMNJNOW-IRXDYDNUSA-N 2 1 334.508 3.166 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132332845 1375313179 /nfs/dbraw/zinc/31/31/79/1375313179.db2.gz XILLPNVZMNJNOW-IRXDYDNUSA-N 2 1 334.508 3.166 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001132376726 1375338126 /nfs/dbraw/zinc/33/81/26/1375338126.db2.gz PUKHENZMYFKYLN-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001226891878 1375353820 /nfs/dbraw/zinc/35/38/20/1375353820.db2.gz WAGYQGMGLZFCIY-IPMKNSEASA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001132409557 1375358291 /nfs/dbraw/zinc/35/82/91/1375358291.db2.gz AWFRNRFGEDKZPA-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132409557 1375358294 /nfs/dbraw/zinc/35/82/94/1375358294.db2.gz AWFRNRFGEDKZPA-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132409557 1375358299 /nfs/dbraw/zinc/35/82/99/1375358299.db2.gz AWFRNRFGEDKZPA-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CCC2CCCCC2)C1 ZINC001132411030 1375359979 /nfs/dbraw/zinc/35/99/79/1375359979.db2.gz RYBPQUUUVPOCMN-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001132411030 1375359981 /nfs/dbraw/zinc/35/99/81/1375359981.db2.gz RYBPQUUUVPOCMN-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001132411030 1375359986 /nfs/dbraw/zinc/35/99/86/1375359986.db2.gz RYBPQUUUVPOCMN-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132517293 1375436370 /nfs/dbraw/zinc/43/63/70/1375436370.db2.gz AOZAUQOSSIAMIL-RTBURBONSA-N 2 1 337.552 3.412 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[N@H+]1CCC1CCCC1 ZINC001132524349 1375440247 /nfs/dbraw/zinc/44/02/47/1375440247.db2.gz GFFOENONXDZFIU-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541142 1375448534 /nfs/dbraw/zinc/44/85/34/1375448534.db2.gz AOQJEYHSLPMPPA-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541142 1375448538 /nfs/dbraw/zinc/44/85/38/1375448538.db2.gz AOQJEYHSLPMPPA-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP CCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541142 1375448539 /nfs/dbraw/zinc/44/85/39/1375448539.db2.gz AOQJEYHSLPMPPA-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP CCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541142 1375448542 /nfs/dbraw/zinc/44/85/42/1375448542.db2.gz AOQJEYHSLPMPPA-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP CCC/C=C/CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001227792263 1375474691 /nfs/dbraw/zinc/47/46/91/1375474691.db2.gz MNMYLZBBAPPGMD-OVKVCFKUSA-N 2 1 349.563 3.291 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001227875816 1375485069 /nfs/dbraw/zinc/48/50/69/1375485069.db2.gz ABAXGDLYGVCDPN-HXUWFJFHSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+](C)Cc1cc(O[C@H]2CCC[N@H+](C)CC2)ccc1Br ZINC001228549613 1375594326 /nfs/dbraw/zinc/59/43/26/1375594326.db2.gz SMHBPBOHMPLQKR-AWEZNQCLSA-N 2 1 341.293 3.374 20 0 EGADMP C[NH+](C)Cc1cc(O[C@H]2CCC[N@@H+](C)CC2)ccc1Br ZINC001228549613 1375594334 /nfs/dbraw/zinc/59/43/34/1375594334.db2.gz SMHBPBOHMPLQKR-AWEZNQCLSA-N 2 1 341.293 3.374 20 0 EGADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C[NH2+]CCCC1CCC1 ZINC001132889157 1375627891 /nfs/dbraw/zinc/62/78/91/1375627891.db2.gz XKOMLSDRKQTSQX-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001132979149 1375691971 /nfs/dbraw/zinc/69/19/71/1375691971.db2.gz ZOLKAQSHNSJFKU-AEFFLSMTSA-N 2 1 348.535 3.092 20 0 EGADMP CC[C@@H](c1cccc(OCC[N@H+]2CC[C@@H](OC)C2)c1)[C@@H](C)C[NH+](C)C ZINC001228896657 1375708190 /nfs/dbraw/zinc/70/81/90/1375708190.db2.gz BOGCULRLSVORMT-IOMROCGXSA-N 2 1 348.531 3.477 20 0 EGADMP CC[C@@H](c1cccc(O[C@@H](C)C[NH+]2CCOCC2)c1)[C@@H](C)C[NH+](C)C ZINC001228898784 1375709420 /nfs/dbraw/zinc/70/94/20/1375709420.db2.gz LOCBKQAPCBSPTO-BBTUJRGHSA-N 2 1 348.531 3.477 20 0 EGADMP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133120803 1375786264 /nfs/dbraw/zinc/78/62/64/1375786264.db2.gz BGROQGJPXMLWIJ-ZWKOTPCHSA-N 2 1 337.552 3.005 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001133262004 1375876871 /nfs/dbraw/zinc/87/68/71/1375876871.db2.gz FIBGKJNGGJCKOU-RBUKOAKNSA-N 2 1 339.568 3.373 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCC(C)C)C1 ZINC001133263232 1375879154 /nfs/dbraw/zinc/87/91/54/1375879154.db2.gz REAXBWKWJQUYQT-RTBURBONSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(CC)CC ZINC001229853290 1375904455 /nfs/dbraw/zinc/90/44/55/1375904455.db2.gz QQASTNXDKQCVSY-QZTJIDSGSA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133347209 1375935641 /nfs/dbraw/zinc/93/56/41/1375935641.db2.gz UVLBTVAUCDZIPY-MSOLQXFVSA-N 2 1 339.568 3.227 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC001230107669 1375944711 /nfs/dbraw/zinc/94/47/11/1375944711.db2.gz SDLJBKIYAAMRHI-HXUWFJFHSA-N 2 1 345.531 3.450 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592177 1376089540 /nfs/dbraw/zinc/08/95/40/1376089540.db2.gz UFDWAYRKEJYTFE-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230591956 1376090771 /nfs/dbraw/zinc/09/07/71/1376090771.db2.gz NRIQNZBNBZDNAT-YJJPMGAVSA-N 2 1 349.563 3.388 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CCCC2)CC1 ZINC001230611160 1376100251 /nfs/dbraw/zinc/10/02/51/1376100251.db2.gz OBCLCLXWNPZLCM-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC([C@H]2CCC[NH+]2CC)CC1 ZINC001230611365 1376101264 /nfs/dbraw/zinc/10/12/64/1376101264.db2.gz RLUCHKRXSXZEQE-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC)CC1 ZINC001230611365 1376101276 /nfs/dbraw/zinc/10/12/76/1376101276.db2.gz RLUCHKRXSXZEQE-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC)CC1 ZINC001230611365 1376101283 /nfs/dbraw/zinc/10/12/83/1376101283.db2.gz RLUCHKRXSXZEQE-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230611725 1376102191 /nfs/dbraw/zinc/10/21/91/1376102191.db2.gz YZDYPGYMELXHJA-IEBWSBKVSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1Cl ZINC001133918470 1376263933 /nfs/dbraw/zinc/26/39/33/1376263933.db2.gz VCECFYLLBPCKGF-CQSZACIVSA-N 2 1 339.911 3.085 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232016575 1376385308 /nfs/dbraw/zinc/38/53/08/1376385308.db2.gz ZZRJUAUFBGESRJ-UKRRQHHQSA-N 2 1 344.459 3.298 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232016575 1376385311 /nfs/dbraw/zinc/38/53/11/1376385311.db2.gz ZZRJUAUFBGESRJ-UKRRQHHQSA-N 2 1 344.459 3.298 20 0 EGADMP CC(C)[N@@H+](Cc1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232360885 1376448914 /nfs/dbraw/zinc/44/89/14/1376448914.db2.gz OMVXNVKQYYXZGI-UHFFFAOYSA-N 2 1 338.499 3.244 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(-c4cccc(F)c4)nc3)C[C@@H]2C1 ZINC001232883925 1376531189 /nfs/dbraw/zinc/53/11/89/1376531189.db2.gz BDUPMFMXVVAMEA-MSOLQXFVSA-N 2 1 325.431 3.271 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(O)c(OCC4CC4)c3)C2)CC1 ZINC001233230279 1376594827 /nfs/dbraw/zinc/59/48/27/1376594827.db2.gz XZXLPOWSUGFSND-UHFFFAOYSA-N 2 1 330.472 3.099 20 0 EGADMP CCc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001134608031 1376622497 /nfs/dbraw/zinc/62/24/97/1376622497.db2.gz PRTYWHUNLDZRKD-DLBZAZTESA-N 2 1 345.531 3.106 20 0 EGADMP Cc1cc(C)cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001134608401 1376623677 /nfs/dbraw/zinc/62/36/77/1376623677.db2.gz VJUUCHDHKWARJF-ROUUACIJSA-N 2 1 345.531 3.161 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]C/C=C/Cl)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134790401 1376722686 /nfs/dbraw/zinc/72/26/86/1376722686.db2.gz BUTCQIMIPRTQNF-UHUXCJHTSA-N 2 1 343.943 3.265 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134791561 1376725061 /nfs/dbraw/zinc/72/50/61/1376725061.db2.gz TZUBDRFYUYLEKF-JKSUJKDBSA-N 2 1 337.552 3.312 20 0 EGADMP Fc1cc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cnc1Cl ZINC001235032655 1376831699 /nfs/dbraw/zinc/83/16/99/1376831699.db2.gz SKFHMRBBSPNIKD-DOTOQJQBSA-N 2 1 331.822 3.335 20 0 EGADMP Fc1cc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cnc1Cl ZINC001235032655 1376831702 /nfs/dbraw/zinc/83/17/02/1376831702.db2.gz SKFHMRBBSPNIKD-DOTOQJQBSA-N 2 1 331.822 3.335 20 0 EGADMP FC(F)(F)c1cccc(Cl)c1C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235037935 1376836766 /nfs/dbraw/zinc/83/67/66/1376836766.db2.gz RACLOWGQNICQHY-IAQYHMDHSA-N 2 1 348.796 3.169 20 0 EGADMP FC(F)(F)c1cccc(Cl)c1C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235037935 1376836769 /nfs/dbraw/zinc/83/67/69/1376836769.db2.gz RACLOWGQNICQHY-IAQYHMDHSA-N 2 1 348.796 3.169 20 0 EGADMP c1cc(-c2ccccc2)sc1C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235039303 1376838258 /nfs/dbraw/zinc/83/82/58/1376838258.db2.gz XQQGMKAWXUCJIB-SJLPKXTDSA-N 2 1 328.481 3.225 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135028329 1376857729 /nfs/dbraw/zinc/85/77/29/1376857729.db2.gz FVZGNJUJBDNLRK-HZPDHXFCSA-N 2 1 348.535 3.281 20 0 EGADMP Clc1cc2[nH]cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2cn1 ZINC001235430368 1376872276 /nfs/dbraw/zinc/87/22/76/1376872276.db2.gz WVZRHCZMVOIULU-UONOGXRCSA-N 2 1 332.879 3.428 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135078008 1376882732 /nfs/dbraw/zinc/88/27/32/1376882732.db2.gz XMSZIMGZGAZJSD-DLBZAZTESA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135077596 1376882869 /nfs/dbraw/zinc/88/28/69/1376882869.db2.gz PYCJJQQSNJKQDQ-MSOLQXFVSA-N 2 1 337.552 3.480 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@H+](CC)C1CC[NH2+]CC1 ZINC001235764470 1376889816 /nfs/dbraw/zinc/88/98/16/1376889816.db2.gz FOWYGECTMASDEL-UHFFFAOYSA-N 2 1 343.471 3.227 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@@H+](CC)C1CC[NH2+]CC1 ZINC001235764470 1376889822 /nfs/dbraw/zinc/88/98/22/1376889822.db2.gz FOWYGECTMASDEL-UHFFFAOYSA-N 2 1 343.471 3.227 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159809 1388469691 /nfs/dbraw/zinc/46/96/91/1388469691.db2.gz LWXIJDIOZFAKBU-WARJXXDVSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159809 1388469694 /nfs/dbraw/zinc/46/96/94/1388469694.db2.gz LWXIJDIOZFAKBU-WARJXXDVSA-N 2 1 349.563 3.243 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159809 1388469700 /nfs/dbraw/zinc/46/97/00/1388469700.db2.gz LWXIJDIOZFAKBU-WARJXXDVSA-N 2 1 349.563 3.243 20 0 EGADMP COCC[N@@H+](CCCc1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC001235945273 1376923081 /nfs/dbraw/zinc/92/30/81/1376923081.db2.gz DIFWGIYECLFSCK-UHFFFAOYSA-N 2 1 344.421 3.338 20 0 EGADMP C[N@@H+](CC[C@@H]1C[NH2+]CCO1)Cc1ccccc1Oc1ccccc1 ZINC001235969665 1376924428 /nfs/dbraw/zinc/92/44/28/1376924428.db2.gz TXPWSYFKXPXQPZ-LJQANCHMSA-N 2 1 326.440 3.289 20 0 EGADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@@H+](CCCCCC[NH3+])C1)C2 ZINC001236006545 1376925764 /nfs/dbraw/zinc/92/57/64/1376925764.db2.gz PMBRHOCKBYKVSZ-WIYYLYMNSA-N 2 1 344.499 3.101 20 0 EGADMP CCCC[C@@H]1C[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCCC(C)C)CC[NH2+]1 ZINC001246291479 1377051141 /nfs/dbraw/zinc/05/11/41/1377051141.db2.gz HBOQSOANQAXFAJ-QRVBRYPASA-N 2 1 339.568 3.464 20 0 EGADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]C2CCC3(C[NH2+]C3)CC2)CC[NH2+]1 ZINC001246379523 1377051520 /nfs/dbraw/zinc/05/15/20/1377051520.db2.gz PRTJCQCYQZOHSS-MJGOQNOKSA-N 3 1 331.479 3.049 20 0 EGADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CCN[C@H](c2ccccc2)C1 ZINC001246546424 1377052612 /nfs/dbraw/zinc/05/26/12/1377052612.db2.gz KCVLOMRVWBLLJB-MOPGFXCFSA-N 2 1 338.451 3.383 20 0 EGADMP C[N@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246546424 1377052625 /nfs/dbraw/zinc/05/26/25/1377052625.db2.gz KCVLOMRVWBLLJB-MOPGFXCFSA-N 2 1 338.451 3.383 20 0 EGADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246546424 1377052627 /nfs/dbraw/zinc/05/26/27/1377052627.db2.gz KCVLOMRVWBLLJB-MOPGFXCFSA-N 2 1 338.451 3.383 20 0 EGADMP Fc1ccc(CN2CCC[N@H+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246822715 1377055011 /nfs/dbraw/zinc/05/50/11/1377055011.db2.gz MTHZEUMTERQXAS-RTWAWAEBSA-N 2 1 345.506 3.256 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC1CCCCCC1 ZINC001135437462 1377097409 /nfs/dbraw/zinc/09/74/09/1377097409.db2.gz UVNLNIHJPXVOIA-UHFFFAOYSA-N 2 1 325.541 3.175 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC001254509563 1377105892 /nfs/dbraw/zinc/10/58/92/1377105892.db2.gz HOLKYSHESQCQGQ-SFHVURJKSA-N 2 1 336.907 3.462 20 0 EGADMP CCC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135468707 1377107848 /nfs/dbraw/zinc/10/78/48/1377107848.db2.gz SFJNNLHMTRMSFV-RKQNLGICSA-N 2 1 337.552 3.338 20 0 EGADMP CC(C)CC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001256367839 1377111731 /nfs/dbraw/zinc/11/17/31/1377111731.db2.gz JHPQOKQDPFJFGX-CEWLAPEOSA-N 2 1 345.531 3.429 20 0 EGADMP CC(C)CC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001256367839 1377111734 /nfs/dbraw/zinc/11/17/34/1377111734.db2.gz JHPQOKQDPFJFGX-CEWLAPEOSA-N 2 1 345.531 3.429 20 0 EGADMP CC(C)CC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001256367839 1377111736 /nfs/dbraw/zinc/11/17/36/1377111736.db2.gz JHPQOKQDPFJFGX-CEWLAPEOSA-N 2 1 345.531 3.429 20 0 EGADMP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135585961 1377155515 /nfs/dbraw/zinc/15/55/15/1377155515.db2.gz VDHRHUWMJGCVIA-IRXDYDNUSA-N 2 1 336.524 3.460 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]C/C=C\Cl ZINC001135600758 1377159416 /nfs/dbraw/zinc/15/94/16/1377159416.db2.gz MPZGTLUFQZYUHL-IORUMNFESA-N 2 1 340.899 3.022 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC(C)C ZINC001135680314 1377182205 /nfs/dbraw/zinc/18/22/05/1377182205.db2.gz UMEGAEDQCBVNGW-DLBZAZTESA-N 2 1 336.524 3.281 20 0 EGADMP CCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266111137 1377189625 /nfs/dbraw/zinc/18/96/25/1377189625.db2.gz WYYMAAUSZZFBIG-QZTJIDSGSA-N 2 1 325.541 3.076 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001135861640 1377238694 /nfs/dbraw/zinc/23/86/94/1377238694.db2.gz UYBKMFYTWFIXHM-IRXDYDNUSA-N 2 1 325.541 3.172 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266323014 1377272783 /nfs/dbraw/zinc/27/27/83/1377272783.db2.gz SEFVUBMKVKSBEA-WMLDXEAASA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266323014 1377272787 /nfs/dbraw/zinc/27/27/87/1377272787.db2.gz SEFVUBMKVKSBEA-WMLDXEAASA-N 2 1 349.906 3.076 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)sc1C ZINC001135980516 1377285648 /nfs/dbraw/zinc/28/56/48/1377285648.db2.gz PIXLMJPTRHCTHB-ZIAGYGMSSA-N 2 1 339.549 3.080 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1ccc(C)cc1 ZINC001135980931 1377286092 /nfs/dbraw/zinc/28/60/92/1377286092.db2.gz VBMYUCSHLRKLTB-OALUTQOASA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)Cc1cccc(F)c1 ZINC001266579286 1377336654 /nfs/dbraw/zinc/33/66/54/1377336654.db2.gz LVEYBQCORFWBSX-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)Cc1cccc(F)c1 ZINC001266579286 1377336657 /nfs/dbraw/zinc/33/66/57/1377336657.db2.gz LVEYBQCORFWBSX-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)Cc1cccc(F)c1 ZINC001266579286 1377336663 /nfs/dbraw/zinc/33/66/63/1377336663.db2.gz LVEYBQCORFWBSX-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP Cc1ccn2c(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@H+]3C)cnc2c1 ZINC001136891486 1377436779 /nfs/dbraw/zinc/43/67/79/1377436779.db2.gz SLYIJCLNUBMLHR-ROUUACIJSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1ccn2c(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)cnc2c1 ZINC001136891486 1377436781 /nfs/dbraw/zinc/43/67/81/1377436781.db2.gz SLYIJCLNUBMLHR-ROUUACIJSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1ccn2c(C[N@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)cnc2c1 ZINC001136891486 1377436783 /nfs/dbraw/zinc/43/67/83/1377436783.db2.gz SLYIJCLNUBMLHR-ROUUACIJSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1ccn2c(C[N@@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)cnc2c1 ZINC001136891486 1377436785 /nfs/dbraw/zinc/43/67/85/1377436785.db2.gz SLYIJCLNUBMLHR-ROUUACIJSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c2ccccc12 ZINC001138015602 1377665540 /nfs/dbraw/zinc/66/55/40/1377665540.db2.gz LTKBCIVRYRNSQB-FCHUYYIVSA-N 2 1 337.511 3.358 20 0 EGADMP Oc1cccnc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001138397604 1377717146 /nfs/dbraw/zinc/71/71/46/1377717146.db2.gz XEWKMAPQKRPLBI-RBUKOAKNSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cccnc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001138397604 1377717147 /nfs/dbraw/zinc/71/71/47/1377717147.db2.gz XEWKMAPQKRPLBI-RBUKOAKNSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cccnc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001138397604 1377717149 /nfs/dbraw/zinc/71/71/49/1377717149.db2.gz XEWKMAPQKRPLBI-RBUKOAKNSA-N 2 1 337.467 3.131 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)CCc2noc(C(C)C)n2)cc1 ZINC001138544536 1377739312 /nfs/dbraw/zinc/73/93/12/1377739312.db2.gz LCQPBNXVMMQOHO-UHFFFAOYSA-N 2 1 339.443 3.362 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)CCc2noc(C(C)C)n2)cc1 ZINC001138544536 1377739315 /nfs/dbraw/zinc/73/93/15/1377739315.db2.gz LCQPBNXVMMQOHO-UHFFFAOYSA-N 2 1 339.443 3.362 20 0 EGADMP CCOC(=O)C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138545466 1377739592 /nfs/dbraw/zinc/73/95/92/1377739592.db2.gz XTBOOWLXHBERJQ-GOSISDBHSA-N 2 1 341.455 3.346 20 0 EGADMP CCOC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138545466 1377739595 /nfs/dbraw/zinc/73/95/95/1377739595.db2.gz XTBOOWLXHBERJQ-GOSISDBHSA-N 2 1 341.455 3.346 20 0 EGADMP CC[N@@H+]1C[C@H]2CN(Cc3ccc(OC)c4cccc(OC)c34)C[C@H]2C1 ZINC001138753796 1377780400 /nfs/dbraw/zinc/78/04/00/1377780400.db2.gz AZWZRRILWOUTGC-CALCHBBNSA-N 2 1 340.467 3.241 20 0 EGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OC)c4cccc(OC)c34)C[C@@H]2C1 ZINC001138753796 1377780401 /nfs/dbraw/zinc/78/04/01/1377780401.db2.gz AZWZRRILWOUTGC-CALCHBBNSA-N 2 1 340.467 3.241 20 0 EGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OC)c4cccc(OC)c34)C[C@@H]2C1 ZINC001138753796 1377780402 /nfs/dbraw/zinc/78/04/02/1377780402.db2.gz AZWZRRILWOUTGC-CALCHBBNSA-N 2 1 340.467 3.241 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OC)c4cccc(OC)c34)C[C@@H]2C1 ZINC001138753796 1377780403 /nfs/dbraw/zinc/78/04/03/1377780403.db2.gz AZWZRRILWOUTGC-CALCHBBNSA-N 2 1 340.467 3.241 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OC)c4cccc(OC)c34)C[C@@H]2C1 ZINC001138753796 1377780404 /nfs/dbraw/zinc/78/04/04/1377780404.db2.gz AZWZRRILWOUTGC-CALCHBBNSA-N 2 1 340.467 3.241 20 0 EGADMP C[NH+](C)CCN1CC[NH+](Cc2ccccc2Oc2ccccc2)CC1 ZINC001139052592 1377822560 /nfs/dbraw/zinc/82/25/60/1377822560.db2.gz SIVMQLAMUSFYBQ-UHFFFAOYSA-N 2 1 339.483 3.158 20 0 EGADMP C[N@H+]1CC[C@@]2(CCN(Cc3cc4cc(Br)ccc4[nH]3)C2)C1 ZINC001139185400 1377845606 /nfs/dbraw/zinc/84/56/06/1377845606.db2.gz VJFLQEGUWMHBPZ-QGZVFWFLSA-N 2 1 348.288 3.458 20 0 EGADMP O=c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c[nH]1 ZINC001139471491 1377890637 /nfs/dbraw/zinc/89/06/37/1377890637.db2.gz XRTXYQDUNDBPSD-WOJBJXKFSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c[nH]1 ZINC001139471491 1377890638 /nfs/dbraw/zinc/89/06/38/1377890638.db2.gz XRTXYQDUNDBPSD-WOJBJXKFSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c[nH]1 ZINC001139471491 1377890639 /nfs/dbraw/zinc/89/06/39/1377890639.db2.gz XRTXYQDUNDBPSD-WOJBJXKFSA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cnccc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001140278602 1378039311 /nfs/dbraw/zinc/03/93/11/1378039311.db2.gz GTYMWDGZRMGDHQ-OALUTQOASA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cnccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001140278602 1378039312 /nfs/dbraw/zinc/03/93/12/1378039312.db2.gz GTYMWDGZRMGDHQ-OALUTQOASA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cnccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001140278602 1378039313 /nfs/dbraw/zinc/03/93/13/1378039313.db2.gz GTYMWDGZRMGDHQ-OALUTQOASA-N 2 1 337.467 3.131 20 0 EGADMP Oc1cnccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001140278602 1378039314 /nfs/dbraw/zinc/03/93/14/1378039314.db2.gz GTYMWDGZRMGDHQ-OALUTQOASA-N 2 1 337.467 3.131 20 0 EGADMP CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC[NH+]1CCCCC1 ZINC001272716354 1378079659 /nfs/dbraw/zinc/07/96/59/1378079659.db2.gz DROAAHKKVUBZDZ-FQEVSTJZSA-N 2 1 335.536 3.120 20 0 EGADMP CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCC[NH+]1CCCCC1 ZINC001272716354 1378079663 /nfs/dbraw/zinc/07/96/63/1378079663.db2.gz DROAAHKKVUBZDZ-FQEVSTJZSA-N 2 1 335.536 3.120 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)cc(C)c1O ZINC001140658258 1378107348 /nfs/dbraw/zinc/10/73/48/1378107348.db2.gz QTLTZMXOGLVOKJ-NRFANRHFSA-N 2 1 346.515 3.332 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)cc(C)c1O ZINC001140658258 1378107350 /nfs/dbraw/zinc/10/73/50/1378107350.db2.gz QTLTZMXOGLVOKJ-NRFANRHFSA-N 2 1 346.515 3.332 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc(C)c1O ZINC001140658258 1378107352 /nfs/dbraw/zinc/10/73/52/1378107352.db2.gz QTLTZMXOGLVOKJ-NRFANRHFSA-N 2 1 346.515 3.332 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc(C)c1O ZINC001140658258 1378107354 /nfs/dbraw/zinc/10/73/54/1378107354.db2.gz QTLTZMXOGLVOKJ-NRFANRHFSA-N 2 1 346.515 3.332 20 0 EGADMP FC(F)(F)CCC[NH+]1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001275166128 1378137317 /nfs/dbraw/zinc/13/73/17/1378137317.db2.gz OZHPIUQRNCWCEU-UHFFFAOYSA-N 2 1 344.425 3.014 20 0 EGADMP FC(F)(F)CCCN1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275166328 1378137438 /nfs/dbraw/zinc/13/74/38/1378137438.db2.gz SEXKGYCLIHMEHY-INIZCTEOSA-N 2 1 334.426 3.438 20 0 EGADMP FC(F)(F)CCC[N@@H+]1CCC[C@@]2(CN(C3CCCC3)CCO2)C1 ZINC001275166328 1378137439 /nfs/dbraw/zinc/13/74/39/1378137439.db2.gz SEXKGYCLIHMEHY-INIZCTEOSA-N 2 1 334.426 3.438 20 0 EGADMP CC(C)(C)OC(=O)N1CC2(C1)CC[N@@H+](Cc1cnc3cc[nH]cc1-3)C2 ZINC001140801839 1378141201 /nfs/dbraw/zinc/14/12/01/1378141201.db2.gz HPPRRYUNEVOHGQ-UHFFFAOYSA-N 2 1 342.443 3.006 20 0 EGADMP CC(C)(C)OC(=O)N1CC2(C1)CC[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140801839 1378141205 /nfs/dbraw/zinc/14/12/05/1378141205.db2.gz HPPRRYUNEVOHGQ-UHFFFAOYSA-N 2 1 342.443 3.006 20 0 EGADMP CC(C)(C)OC(=O)N1CC2(C1)CC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140801839 1378141207 /nfs/dbraw/zinc/14/12/07/1378141207.db2.gz HPPRRYUNEVOHGQ-UHFFFAOYSA-N 2 1 342.443 3.006 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](CC3(c4ccccc4)CCOCC3)C[C@H]2CC1 ZINC001276494271 1378175541 /nfs/dbraw/zinc/17/55/41/1378175541.db2.gz RYBSHYSHHGSICQ-KDURUIRLSA-N 2 1 328.500 3.008 20 0 EGADMP C[NH+]1CC[C@H]2C[N@@H+](CC3(c4ccccc4)CCOCC3)C[C@H]2CC1 ZINC001276494271 1378175543 /nfs/dbraw/zinc/17/55/43/1378175543.db2.gz RYBSHYSHHGSICQ-KDURUIRLSA-N 2 1 328.500 3.008 20 0 EGADMP C[NH+]1CC[C@H]2C[N@H+](CC3(c4ccccc4)CCOCC3)C[C@H]2CC1 ZINC001276494271 1378175547 /nfs/dbraw/zinc/17/55/47/1378175547.db2.gz RYBSHYSHHGSICQ-KDURUIRLSA-N 2 1 328.500 3.008 20 0 EGADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnco3)C[C@@H]21 ZINC001140928588 1378183190 /nfs/dbraw/zinc/18/31/90/1378183190.db2.gz UGQLOUIZEHSALQ-JCGIZDLHSA-N 2 1 331.485 3.469 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnco3)C[C@@H]21 ZINC001140928588 1378183193 /nfs/dbraw/zinc/18/31/93/1378183193.db2.gz UGQLOUIZEHSALQ-JCGIZDLHSA-N 2 1 331.485 3.469 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cnco3)C[C@@H]21 ZINC001140928588 1378183194 /nfs/dbraw/zinc/18/31/94/1378183194.db2.gz UGQLOUIZEHSALQ-JCGIZDLHSA-N 2 1 331.485 3.469 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cnco3)C[C@@H]21 ZINC001140928588 1378183198 /nfs/dbraw/zinc/18/31/98/1378183198.db2.gz UGQLOUIZEHSALQ-JCGIZDLHSA-N 2 1 331.485 3.469 20 0 EGADMP Cc1c[nH]c(=O)c(C[NH+]2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)c1 ZINC001276871842 1378190832 /nfs/dbraw/zinc/19/08/32/1378190832.db2.gz FOLIASCDJZLHJN-HXUWFJFHSA-N 2 1 329.488 3.326 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCCC(F)(F)[C@H](F)C2)CC1 ZINC001140969990 1378196324 /nfs/dbraw/zinc/19/63/24/1378196324.db2.gz BPPCHCADWPFGRR-QGZVFWFLSA-N 2 1 341.421 3.008 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCCC(F)(F)[C@H](F)C2)CC1 ZINC001140969990 1378196328 /nfs/dbraw/zinc/19/63/28/1378196328.db2.gz BPPCHCADWPFGRR-QGZVFWFLSA-N 2 1 341.421 3.008 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2c2nccs2)CC1 ZINC001140971372 1378196555 /nfs/dbraw/zinc/19/65/55/1378196555.db2.gz SRSPBYTYCQHAKU-SFHVURJKSA-N 2 1 342.512 3.232 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]2c2nccs2)CC1 ZINC001140971372 1378196556 /nfs/dbraw/zinc/19/65/56/1378196556.db2.gz SRSPBYTYCQHAKU-SFHVURJKSA-N 2 1 342.512 3.232 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC001140974507 1378197507 /nfs/dbraw/zinc/19/75/07/1378197507.db2.gz ASEHYZDXTUJGGS-RTBURBONSA-N 2 1 327.516 3.451 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@]3(CCC[C@H]3C(=O)NC(C)(C)C)C2)CC1 ZINC001278021931 1378255297 /nfs/dbraw/zinc/25/52/97/1378255297.db2.gz OBSNMJCHKSVSPH-LAUBAEHRSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CNC(=O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001327517143 1388545877 /nfs/dbraw/zinc/54/58/77/1388545877.db2.gz DVHZIPCTVNBURC-ICSRJNTNSA-N 2 1 345.531 3.039 20 0 EGADMP CC(C)CNC(=O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001327517143 1388545879 /nfs/dbraw/zinc/54/58/79/1388545879.db2.gz DVHZIPCTVNBURC-ICSRJNTNSA-N 2 1 345.531 3.039 20 0 EGADMP COc1cc(C(F)(F)F)ccc1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001141611680 1378350611 /nfs/dbraw/zinc/35/06/11/1378350611.db2.gz HNUYOZLLIFHNJN-MRXNPFEDSA-N 2 1 328.378 3.242 20 0 EGADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001142204623 1378419921 /nfs/dbraw/zinc/41/99/21/1378419921.db2.gz IFNOVQNZGQRWJX-KDURUIRLSA-N 2 1 344.499 3.416 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001142204623 1378419923 /nfs/dbraw/zinc/41/99/23/1378419923.db2.gz IFNOVQNZGQRWJX-KDURUIRLSA-N 2 1 344.499 3.416 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001142204623 1378419925 /nfs/dbraw/zinc/41/99/25/1378419925.db2.gz IFNOVQNZGQRWJX-KDURUIRLSA-N 2 1 344.499 3.416 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001142204623 1378419926 /nfs/dbraw/zinc/41/99/26/1378419926.db2.gz IFNOVQNZGQRWJX-KDURUIRLSA-N 2 1 344.499 3.416 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC001142307040 1378432571 /nfs/dbraw/zinc/43/25/71/1378432571.db2.gz QSRJIDHLTNFBEM-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1c[nH]c3cc(Br)ccc13)C2 ZINC001142404750 1378440029 /nfs/dbraw/zinc/44/00/29/1378440029.db2.gz GJKHDDXFAUYOLY-CXAGYDPISA-N 2 1 348.288 3.314 20 0 EGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1c[nH]c3cc(Br)ccc13)C2 ZINC001142404750 1378440033 /nfs/dbraw/zinc/44/00/33/1378440033.db2.gz GJKHDDXFAUYOLY-CXAGYDPISA-N 2 1 348.288 3.314 20 0 EGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4cc(Br)ccc34)C[C@@H]2C1 ZINC001142404797 1378440400 /nfs/dbraw/zinc/44/04/00/1378440400.db2.gz HJOPDRIGRUYFRB-OKILXGFUSA-N 2 1 348.288 3.314 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c4cc(Br)ccc34)C[C@@H]2C1 ZINC001142404797 1378440402 /nfs/dbraw/zinc/44/04/02/1378440402.db2.gz HJOPDRIGRUYFRB-OKILXGFUSA-N 2 1 348.288 3.314 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]c4cc(Br)ccc34)C[C@@H]2C1 ZINC001142404797 1378440405 /nfs/dbraw/zinc/44/04/05/1378440405.db2.gz HJOPDRIGRUYFRB-OKILXGFUSA-N 2 1 348.288 3.314 20 0 EGADMP Cn1cc2c(cccc2C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)n1 ZINC001142449152 1378443930 /nfs/dbraw/zinc/44/39/30/1378443930.db2.gz PTFHKCGLFAEDBE-UHFFFAOYSA-N 2 1 338.499 3.414 20 0 EGADMP Cn1cc2c(cccc2C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)n1 ZINC001142449152 1378443931 /nfs/dbraw/zinc/44/39/31/1378443931.db2.gz PTFHKCGLFAEDBE-UHFFFAOYSA-N 2 1 338.499 3.414 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCC[NH+]1Cc1ccccc1C ZINC001282678362 1378550890 /nfs/dbraw/zinc/55/08/90/1378550890.db2.gz RJFZYXOKWAMTHY-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccccc1C ZINC001282678362 1378550894 /nfs/dbraw/zinc/55/08/94/1378550894.db2.gz RJFZYXOKWAMTHY-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@H+]1Cc1ccccc1C ZINC001282678362 1378550897 /nfs/dbraw/zinc/55/08/97/1378550897.db2.gz RJFZYXOKWAMTHY-FQEVSTJZSA-N 2 1 345.531 3.198 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001143831214 1378651005 /nfs/dbraw/zinc/65/10/05/1378651005.db2.gz BWFVMMKBWCSRME-MJGOQNOKSA-N 2 1 345.531 3.352 20 0 EGADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC001144717191 1378763220 /nfs/dbraw/zinc/76/32/20/1378763220.db2.gz GBOZASLNGJQHLX-IBGZPJMESA-N 2 1 327.472 3.243 20 0 EGADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC001144717191 1378763222 /nfs/dbraw/zinc/76/32/22/1378763222.db2.gz GBOZASLNGJQHLX-IBGZPJMESA-N 2 1 327.472 3.243 20 0 EGADMP Cc1ccc(C[N@H+](C)C2CCN(C(=O)CCC[NH+](C)C)CC2)c(C)c1 ZINC001283325529 1378810060 /nfs/dbraw/zinc/81/00/60/1378810060.db2.gz MZUHOEKJAGRUAZ-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001146333517 1378818792 /nfs/dbraw/zinc/81/87/92/1378818792.db2.gz ORHICDYHEASPBZ-IRXDYDNUSA-N 2 1 348.535 3.425 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001146333731 1378818819 /nfs/dbraw/zinc/81/88/19/1378818819.db2.gz QMUUPSLHURKWEI-CVEARBPZSA-N 2 1 348.535 3.281 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCc1ccccc1 ZINC001146591918 1378873217 /nfs/dbraw/zinc/87/32/17/1378873217.db2.gz IHCMMXDHUBGHBT-RTBURBONSA-N 2 1 347.547 3.222 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001146592688 1378873389 /nfs/dbraw/zinc/87/33/89/1378873389.db2.gz KKNUOHGEIWFFIC-JKSUJKDBSA-N 2 1 345.487 3.146 20 0 EGADMP Cc1ccc(CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001146590804 1378873660 /nfs/dbraw/zinc/87/36/60/1378873660.db2.gz BBOGUEFFQCSVLN-OALUTQOASA-N 2 1 347.547 3.141 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001146592732 1378873920 /nfs/dbraw/zinc/87/39/20/1378873920.db2.gz KXOJQUYTXBKGQW-SJORKVTESA-N 2 1 325.541 3.170 20 0 EGADMP CC(C)n1ncc2c1[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCC2 ZINC001327680565 1388577743 /nfs/dbraw/zinc/57/77/43/1388577743.db2.gz PHVROMBWYKEZGS-MOPGFXCFSA-N 2 1 346.519 3.074 20 0 EGADMP CC(C)CC[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147992598 1379103974 /nfs/dbraw/zinc/10/39/74/1379103974.db2.gz NEJFYJISDHPIPA-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC3(C2)CC[NH+](CCCC(C)C)C3)C1 ZINC001148124391 1379121064 /nfs/dbraw/zinc/12/10/64/1379121064.db2.gz CAIWNUPHFMXOCI-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC3(C2)CC[N@H+](CCCC(C)C)C3)C1 ZINC001148124391 1379121065 /nfs/dbraw/zinc/12/10/65/1379121065.db2.gz CAIWNUPHFMXOCI-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCCC(C)C)C3)C1 ZINC001148124391 1379121067 /nfs/dbraw/zinc/12/10/67/1379121067.db2.gz CAIWNUPHFMXOCI-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC1=CCCCC1)C2)[NH+](CC)CC ZINC001148286722 1379146030 /nfs/dbraw/zinc/14/60/30/1379146030.db2.gz XFJALNSQMRBDCT-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148390053 1379162665 /nfs/dbraw/zinc/16/26/65/1379162665.db2.gz AKKRQCGAIBWDCS-LJQANCHMSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477121 1379180820 /nfs/dbraw/zinc/18/08/20/1379180820.db2.gz JJVWOSHANYEIBA-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+]([C@H](C)c1ccccc1)C2 ZINC001148656904 1379235949 /nfs/dbraw/zinc/23/59/49/1379235949.db2.gz IOSNETYSARFUQL-GOSISDBHSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1ccccc1)C2 ZINC001148656904 1379235951 /nfs/dbraw/zinc/23/59/51/1379235951.db2.gz IOSNETYSARFUQL-GOSISDBHSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1ccccc1)C2 ZINC001148656904 1379235958 /nfs/dbraw/zinc/23/59/58/1379235958.db2.gz IOSNETYSARFUQL-GOSISDBHSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)[C@@H]1C ZINC001283924863 1379276375 /nfs/dbraw/zinc/27/63/75/1379276375.db2.gz BBAVMYQAMCBRNY-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@H+]1CCCC1CCCC1 ZINC001284133122 1379518273 /nfs/dbraw/zinc/51/82/73/1379518273.db2.gz YZOVMRVNZMZCLF-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)C34CCC[NH+]3CCC4)c2C1 ZINC001152020926 1379841865 /nfs/dbraw/zinc/84/18/65/1379841865.db2.gz OKRMMKIXIUXDEE-UHFFFAOYSA-N 2 1 327.472 3.225 20 0 EGADMP CCCc1ccc(C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]2CCC[NH+]2C)cc1 ZINC001152391749 1379926017 /nfs/dbraw/zinc/92/60/17/1379926017.db2.gz FLLXFQQAEWAPRR-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCCc1ccc(C[NH+](CC)[C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001152391749 1379926049 /nfs/dbraw/zinc/92/60/49/1379926049.db2.gz FLLXFQQAEWAPRR-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCCc1ccc(C[NH+](CC)[C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001152391749 1379926053 /nfs/dbraw/zinc/92/60/53/1379926053.db2.gz FLLXFQQAEWAPRR-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CC[C@H](C(=O)N(CC[N@@H+](C)CC1CCCCC1)C(C)C)[NH+](C)C ZINC001284553243 1379960793 /nfs/dbraw/zinc/96/07/93/1379960793.db2.gz GOBQDLKHTZFEQK-GOSISDBHSA-N 2 1 325.541 3.076 20 0 EGADMP CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001153361962 1380063961 /nfs/dbraw/zinc/06/39/61/1380063961.db2.gz IZNDYQHVQPSWMP-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CCC1CC1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153361962 1380063964 /nfs/dbraw/zinc/06/39/64/1380063964.db2.gz IZNDYQHVQPSWMP-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CCC1CC1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153361962 1380063968 /nfs/dbraw/zinc/06/39/68/1380063968.db2.gz IZNDYQHVQPSWMP-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153818830 1380136205 /nfs/dbraw/zinc/13/62/05/1380136205.db2.gz CAKDFKHEWXUZFO-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CC1CCCC1)[C@H](C)CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001153818830 1380136206 /nfs/dbraw/zinc/13/62/06/1380136206.db2.gz CAKDFKHEWXUZFO-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CC1CCCC1)[C@H](C)CNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001153818830 1380136207 /nfs/dbraw/zinc/13/62/07/1380136207.db2.gz CAKDFKHEWXUZFO-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001153819445 1380136870 /nfs/dbraw/zinc/13/68/70/1380136870.db2.gz ZONFRGANMSZVSB-VQIMIIECSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CC1CCC1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001153819445 1380136872 /nfs/dbraw/zinc/13/68/72/1380136872.db2.gz ZONFRGANMSZVSB-VQIMIIECSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CC1CCC1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001153819445 1380136874 /nfs/dbraw/zinc/13/68/74/1380136874.db2.gz ZONFRGANMSZVSB-VQIMIIECSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001153819444 1380136904 /nfs/dbraw/zinc/13/69/04/1380136904.db2.gz ZONFRGANMSZVSB-APWZRJJASA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CC1CCC1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001153819444 1380136905 /nfs/dbraw/zinc/13/69/05/1380136905.db2.gz ZONFRGANMSZVSB-APWZRJJASA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CC1CCC1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001153819444 1380136907 /nfs/dbraw/zinc/13/69/07/1380136907.db2.gz ZONFRGANMSZVSB-APWZRJJASA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153824136 1380137740 /nfs/dbraw/zinc/13/77/40/1380137740.db2.gz MKUXOCXGGGALJR-FHLIRTJZSA-N 2 1 343.515 3.011 20 0 EGADMP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153824330 1380137836 /nfs/dbraw/zinc/13/78/36/1380137836.db2.gz QAHIESMAJADWDB-AEFFLSMTSA-N 2 1 346.519 3.167 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153824330 1380137837 /nfs/dbraw/zinc/13/78/37/1380137837.db2.gz QAHIESMAJADWDB-AEFFLSMTSA-N 2 1 346.519 3.167 20 0 EGADMP CC[N@@H+](Cc1ccccc1C)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153880012 1380148836 /nfs/dbraw/zinc/14/88/36/1380148836.db2.gz SZPFGTOFYCFIDY-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](Cc1ccccc1C)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153880012 1380148838 /nfs/dbraw/zinc/14/88/38/1380148838.db2.gz SZPFGTOFYCFIDY-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](Cc1ccccc1C)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153880012 1380148839 /nfs/dbraw/zinc/14/88/39/1380148839.db2.gz SZPFGTOFYCFIDY-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C)ccc1C ZINC001154069609 1380198444 /nfs/dbraw/zinc/19/84/44/1380198444.db2.gz IMAFYEBFFKXMOU-GOSISDBHSA-N 2 1 347.547 3.360 20 0 EGADMP CC[NH+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154069609 1380198448 /nfs/dbraw/zinc/19/84/48/1380198448.db2.gz IMAFYEBFFKXMOU-GOSISDBHSA-N 2 1 347.547 3.360 20 0 EGADMP CC[NH+](Cc1cc(C)ccc1C)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154069609 1380198449 /nfs/dbraw/zinc/19/84/49/1380198449.db2.gz IMAFYEBFFKXMOU-GOSISDBHSA-N 2 1 347.547 3.360 20 0 EGADMP CC[N@@H+](CC[C@H](C)F)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464508 1380283097 /nfs/dbraw/zinc/28/30/97/1380283097.db2.gz NOEDPOBXEWPYEB-DLBZAZTESA-N 2 1 343.531 3.216 20 0 EGADMP CC[NH+](CC[C@H](C)F)[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001154464508 1380283098 /nfs/dbraw/zinc/28/30/98/1380283098.db2.gz NOEDPOBXEWPYEB-DLBZAZTESA-N 2 1 343.531 3.216 20 0 EGADMP CC[NH+](CC[C@H](C)F)[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001154464508 1380283099 /nfs/dbraw/zinc/28/30/99/1380283099.db2.gz NOEDPOBXEWPYEB-DLBZAZTESA-N 2 1 343.531 3.216 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](CC)CCCC(C)C)C1 ZINC001154785047 1380350785 /nfs/dbraw/zinc/35/07/85/1380350785.db2.gz XJBSHJWNOUWLFC-MOPGFXCFSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCC(C)C)C1 ZINC001154785047 1380350787 /nfs/dbraw/zinc/35/07/87/1380350787.db2.gz XJBSHJWNOUWLFC-MOPGFXCFSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCC(C)C)C1 ZINC001154785047 1380350788 /nfs/dbraw/zinc/35/07/88/1380350788.db2.gz XJBSHJWNOUWLFC-MOPGFXCFSA-N 2 1 339.568 3.371 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844312 1380362787 /nfs/dbraw/zinc/36/27/87/1380362787.db2.gz AWJGDYYMOOFMHB-ACBYSDGPSA-N 2 1 337.552 3.290 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001154844312 1380362789 /nfs/dbraw/zinc/36/27/89/1380362789.db2.gz AWJGDYYMOOFMHB-ACBYSDGPSA-N 2 1 337.552 3.290 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001154844312 1380362791 /nfs/dbraw/zinc/36/27/91/1380362791.db2.gz AWJGDYYMOOFMHB-ACBYSDGPSA-N 2 1 337.552 3.290 20 0 EGADMP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876646 1380371040 /nfs/dbraw/zinc/37/10/40/1380371040.db2.gz SVLGHMNATZGCFP-NVXWUHKLSA-N 2 1 348.535 3.017 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876646 1380371041 /nfs/dbraw/zinc/37/10/41/1380371041.db2.gz SVLGHMNATZGCFP-NVXWUHKLSA-N 2 1 348.535 3.017 20 0 EGADMP CC[N@@H+](CCCc1cccc(C)c1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904717 1380374593 /nfs/dbraw/zinc/37/45/93/1380374593.db2.gz XAWAKEXZQQXIQS-LJQANCHMSA-N 2 1 347.547 3.096 20 0 EGADMP CC[N@@H+](Cc1cc2ccccc2o1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904212 1380374708 /nfs/dbraw/zinc/37/47/08/1380374708.db2.gz PNFKLSMMIWZVHA-MRXNPFEDSA-N 2 1 345.487 3.101 20 0 EGADMP CC[N@@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904455 1380374724 /nfs/dbraw/zinc/37/47/24/1380374724.db2.gz SCULVGRAQDWZNY-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP F[C@]1(CNc2[nH+]cnc3c2ccn3C2CCCC2)CCCC[NH2+]C1 ZINC001155117764 1380411668 /nfs/dbraw/zinc/41/16/68/1380411668.db2.gz SOQUFSXPWUZOMT-GOSISDBHSA-N 2 1 331.439 3.440 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(C)(C)C1)[NH+](CC)CC ZINC001155180511 1380420236 /nfs/dbraw/zinc/42/02/36/1380420236.db2.gz CGMAFVYZUIWDGD-AEFFLSMTSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155227146 1380426664 /nfs/dbraw/zinc/42/66/64/1380426664.db2.gz VVYGOYRLXBRHRA-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155227146 1380426665 /nfs/dbraw/zinc/42/66/65/1380426665.db2.gz VVYGOYRLXBRHRA-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCCC1CCCC1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155227146 1380426666 /nfs/dbraw/zinc/42/66/66/1380426666.db2.gz VVYGOYRLXBRHRA-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001155237697 1380428047 /nfs/dbraw/zinc/42/80/47/1380428047.db2.gz GGOOLCDMMVZZBL-VQIMIIECSA-N 2 1 343.531 3.072 20 0 EGADMP CC[NH+](CCC(C)C)[C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001155237697 1380428049 /nfs/dbraw/zinc/42/80/49/1380428049.db2.gz GGOOLCDMMVZZBL-VQIMIIECSA-N 2 1 343.531 3.072 20 0 EGADMP CC[NH+](CCC(C)C)[C@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001155237697 1380428051 /nfs/dbraw/zinc/42/80/51/1380428051.db2.gz GGOOLCDMMVZZBL-VQIMIIECSA-N 2 1 343.531 3.072 20 0 EGADMP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244303 1380428681 /nfs/dbraw/zinc/42/86/81/1380428681.db2.gz MZENOAGLRKMLLL-QAPCUYQASA-N 2 1 348.535 3.017 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244303 1380428682 /nfs/dbraw/zinc/42/86/82/1380428682.db2.gz MZENOAGLRKMLLL-QAPCUYQASA-N 2 1 348.535 3.017 20 0 EGADMP CC[N@@H+](Cc1ccccc1C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155263916 1380430042 /nfs/dbraw/zinc/43/00/42/1380430042.db2.gz XZYOHKCFRDRYDA-GOSISDBHSA-N 2 1 347.547 3.300 20 0 EGADMP CC[NH+](Cc1ccccc1C)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001155263916 1380430043 /nfs/dbraw/zinc/43/00/43/1380430043.db2.gz XZYOHKCFRDRYDA-GOSISDBHSA-N 2 1 347.547 3.300 20 0 EGADMP CC[NH+](Cc1ccccc1C)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001155263916 1380430044 /nfs/dbraw/zinc/43/00/44/1380430044.db2.gz XZYOHKCFRDRYDA-GOSISDBHSA-N 2 1 347.547 3.300 20 0 EGADMP CC[N@@H+](Cc1ccccc1C)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155262730 1380430142 /nfs/dbraw/zinc/43/01/42/1380430142.db2.gz GAROYETXVOUSMW-GOSISDBHSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](Cc1ccccc1C)[C@H](C)CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001155262730 1380430143 /nfs/dbraw/zinc/43/01/43/1380430143.db2.gz GAROYETXVOUSMW-GOSISDBHSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](Cc1ccccc1C)[C@H](C)CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001155262730 1380430144 /nfs/dbraw/zinc/43/01/44/1380430144.db2.gz GAROYETXVOUSMW-GOSISDBHSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001328081312 1388663698 /nfs/dbraw/zinc/66/36/98/1388663698.db2.gz KIORAVAJXKCNRB-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001328081312 1388663699 /nfs/dbraw/zinc/66/36/99/1388663699.db2.gz KIORAVAJXKCNRB-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001328081312 1388663702 /nfs/dbraw/zinc/66/37/02/1388663702.db2.gz KIORAVAJXKCNRB-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631732 1380476851 /nfs/dbraw/zinc/47/68/51/1380476851.db2.gz YWPBCNLKIJWKAB-QGZVFWFLSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C)c1cccc2ccccc21 ZINC001155803038 1380493532 /nfs/dbraw/zinc/49/35/32/1380493532.db2.gz VUBDAOOIGNXEQY-OXJNMPFZSA-N 2 1 339.483 3.091 20 0 EGADMP Cc1c[nH+]c(NCc2cccc(C[NH+](C)C)c2)nc1N1CCCC1 ZINC001156043733 1380516013 /nfs/dbraw/zinc/51/60/13/1380516013.db2.gz AYZFVZDCMOJNGY-UHFFFAOYSA-N 2 1 325.460 3.059 20 0 EGADMP CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131602 1380529491 /nfs/dbraw/zinc/52/94/91/1380529491.db2.gz WLXKRBDHSNXSLF-GOSISDBHSA-N 2 1 345.531 3.134 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC1CC1 ZINC001156306014 1380555440 /nfs/dbraw/zinc/55/54/40/1380555440.db2.gz JLTUYLGZGCDNLH-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCC1CC1 ZINC001156306014 1380555443 /nfs/dbraw/zinc/55/54/43/1380555443.db2.gz JLTUYLGZGCDNLH-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCC1CC1 ZINC001156306014 1380555450 /nfs/dbraw/zinc/55/54/50/1380555450.db2.gz JLTUYLGZGCDNLH-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4nc(NC5CC5)cc[nH+]4)[C@@H]3C2)cc1 ZINC001156316220 1380556929 /nfs/dbraw/zinc/55/69/29/1380556929.db2.gz VGSZKMMAELEVRE-UHOSZYNNSA-N 2 1 349.482 3.373 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4nc(NC5CC5)cc[nH+]4)[C@@H]3C2)cc1 ZINC001156316220 1380556931 /nfs/dbraw/zinc/55/69/31/1380556931.db2.gz VGSZKMMAELEVRE-UHOSZYNNSA-N 2 1 349.482 3.373 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)CCC1CCCC1 ZINC001156517389 1380587183 /nfs/dbraw/zinc/58/71/83/1380587183.db2.gz XTADDFDYHYSBRI-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CCC1CCCC1 ZINC001156517389 1380587186 /nfs/dbraw/zinc/58/71/86/1380587186.db2.gz XTADDFDYHYSBRI-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CCC1CCCC1 ZINC001156517389 1380587187 /nfs/dbraw/zinc/58/71/87/1380587187.db2.gz XTADDFDYHYSBRI-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC[C@@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156961315 1380738266 /nfs/dbraw/zinc/73/82/66/1380738266.db2.gz MJAIDGFESLSDCW-QZTJIDSGSA-N 2 1 325.541 3.125 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157119208 1380780357 /nfs/dbraw/zinc/78/03/57/1380780357.db2.gz QTGWOBRZHYPZBY-RTBURBONSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157132460 1380782828 /nfs/dbraw/zinc/78/28/28/1380782828.db2.gz ICOJOBKAIUPCKR-MJGOQNOKSA-N 2 1 331.504 3.082 20 0 EGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157132460 1380782834 /nfs/dbraw/zinc/78/28/34/1380782834.db2.gz ICOJOBKAIUPCKR-MJGOQNOKSA-N 2 1 331.504 3.082 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001157899066 1381065563 /nfs/dbraw/zinc/06/55/63/1381065563.db2.gz IVUVQZVTDQTDMM-MJGOQNOKSA-N 2 1 331.504 3.025 20 0 EGADMP O=C(NCCC[NH2+]CC1=CCCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158099758 1381127723 /nfs/dbraw/zinc/12/77/23/1381127723.db2.gz SFHWRMKUAHSNPO-IBGZPJMESA-N 2 1 347.547 3.237 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CCCC1)[NH+](C)C ZINC001158123708 1381134771 /nfs/dbraw/zinc/13/47/71/1381134771.db2.gz AFHNJRWDYFUOGF-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001158123837 1381134808 /nfs/dbraw/zinc/13/48/08/1381134808.db2.gz DWRXDXMMWZPBKH-QZTJIDSGSA-N 2 1 325.541 3.220 20 0 EGADMP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001158128749 1381136669 /nfs/dbraw/zinc/13/66/69/1381136669.db2.gz JCQXCWIRTDJLOV-BGGMYYEUSA-N 2 1 337.552 3.386 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001158289349 1381186374 /nfs/dbraw/zinc/18/63/74/1381186374.db2.gz DVFAFEGWTFAZIR-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001158398556 1381230156 /nfs/dbraw/zinc/23/01/56/1381230156.db2.gz YBQJPDCAQCNUOY-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001158398556 1381230163 /nfs/dbraw/zinc/23/01/63/1381230163.db2.gz YBQJPDCAQCNUOY-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001158398556 1381230170 /nfs/dbraw/zinc/23/01/70/1381230170.db2.gz YBQJPDCAQCNUOY-RBUKOAKNSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001158646222 1381336250 /nfs/dbraw/zinc/33/62/50/1381336250.db2.gz IGZBQDBNCHWAMB-PKOBYXMFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)Cc1ccc(C)cc1 ZINC001158773460 1381393186 /nfs/dbraw/zinc/39/31/86/1381393186.db2.gz MMVFQWHTKJPAOG-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccc(C)cc1 ZINC001158773460 1381393192 /nfs/dbraw/zinc/39/31/92/1381393192.db2.gz MMVFQWHTKJPAOG-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccc(C)cc1 ZINC001158773460 1381393197 /nfs/dbraw/zinc/39/31/97/1381393197.db2.gz MMVFQWHTKJPAOG-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP Clc1ccc(C[NH+]2CCCC2)c(NCC23CC[NH+](CC2)CC3)n1 ZINC001158827535 1381420803 /nfs/dbraw/zinc/42/08/03/1381420803.db2.gz UBUSQBJNXPEIFA-UHFFFAOYSA-N 2 1 334.895 3.229 20 0 EGADMP Cc1cccc(C[NH+](C)C[C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)c1 ZINC001158923349 1381464844 /nfs/dbraw/zinc/46/48/44/1381464844.db2.gz WYJURRSIRPWLHS-HXUWFJFHSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1cccc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)c1 ZINC001158923349 1381464856 /nfs/dbraw/zinc/46/48/56/1381464856.db2.gz WYJURRSIRPWLHS-HXUWFJFHSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1cccc(C[N@H+](C)C[C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)c1 ZINC001158923349 1381464862 /nfs/dbraw/zinc/46/48/62/1381464862.db2.gz WYJURRSIRPWLHS-HXUWFJFHSA-N 2 1 345.531 3.148 20 0 EGADMP CC(C)[C@@H](Nc1nc(N2CCC([NH3+])CC2)cc[nH+]1)c1ccc(F)cc1 ZINC001159061426 1381550565 /nfs/dbraw/zinc/55/05/65/1381550565.db2.gz KMWZJTGUPTYOLH-GOSISDBHSA-N 2 1 343.450 3.352 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC001159334716 1381767845 /nfs/dbraw/zinc/76/78/45/1381767845.db2.gz GFJQLANJJIDPGD-RBUKOAKNSA-N 2 1 349.494 3.247 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001159839352 1381917221 /nfs/dbraw/zinc/91/72/21/1381917221.db2.gz YYTIWUYDGUYQRH-IBGZPJMESA-N 2 1 349.563 3.031 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001159908701 1381934558 /nfs/dbraw/zinc/93/45/58/1381934558.db2.gz IWLJHJDAQQTECQ-QZTJIDSGSA-N 2 1 325.541 3.027 20 0 EGADMP [NH3+][C@H]1CCc2c3ccccc3n(-c3cc(-n4ccnc4)cc[nH+]3)c2C1 ZINC001159953923 1381948074 /nfs/dbraw/zinc/94/80/74/1381948074.db2.gz ZJYQDGIIWHGEKH-AWEZNQCLSA-N 2 1 329.407 3.027 20 0 EGADMP [NH3+]C1CN(c2cccc(NC3=CCC[N@@H+](Cc4ccccc4)C3)c2)C1 ZINC001159989181 1381960838 /nfs/dbraw/zinc/96/08/38/1381960838.db2.gz OPCSNNRMHJEAMH-UHFFFAOYSA-N 2 1 334.467 3.036 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001159997838 1381964306 /nfs/dbraw/zinc/96/43/06/1381964306.db2.gz ZWKGGYKPJSRHKA-QGZVFWFLSA-N 2 1 345.531 3.451 20 0 EGADMP CCc1ccc([C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[NH+](CC)CC)cc1 ZINC001160110324 1382000058 /nfs/dbraw/zinc/00/00/58/1382000058.db2.gz AIOBUSMFJSGYSN-PMACEKPBSA-N 2 1 345.531 3.232 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-n2cc3ccc(C[NH3+])cc3n2)nc1 ZINC001160142771 1382014979 /nfs/dbraw/zinc/01/49/79/1382014979.db2.gz ACBPURJJIJAURU-LJQANCHMSA-N 2 1 335.455 3.426 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+](CC3CCCC3)CC2)CC[N@H+]1C ZINC001160169455 1382022988 /nfs/dbraw/zinc/02/29/88/1382022988.db2.gz RURKOIKGCZVPJO-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@H+](CC3CCCC3)CC2)CC[NH+]1C ZINC001160169455 1382022993 /nfs/dbraw/zinc/02/29/93/1382022993.db2.gz RURKOIKGCZVPJO-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@@H+](CC3CCCC3)CC2)CC[NH+]1C ZINC001160169455 1382022998 /nfs/dbraw/zinc/02/29/98/1382022998.db2.gz RURKOIKGCZVPJO-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP FC(F)(F)c1c[nH+]ccc1Nc1cccc(O[C@@H]2CCC[NH2+]C2)c1 ZINC001160216533 1382036695 /nfs/dbraw/zinc/03/66/95/1382036695.db2.gz CNQPGOIWBZUSKQ-CQSZACIVSA-N 2 1 337.345 3.397 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160359853 1382082626 /nfs/dbraw/zinc/08/26/26/1382082626.db2.gz CYWSAROXZKECCG-SFHVURJKSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001160467448 1382114825 /nfs/dbraw/zinc/11/48/25/1382114825.db2.gz STZQJFHFHUWRSP-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001160467448 1382114830 /nfs/dbraw/zinc/11/48/30/1382114830.db2.gz STZQJFHFHUWRSP-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001160467448 1382114833 /nfs/dbraw/zinc/11/48/33/1382114833.db2.gz STZQJFHFHUWRSP-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001160518911 1382129846 /nfs/dbraw/zinc/12/98/46/1382129846.db2.gz SWXBQAWCAOIBGK-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001160518911 1382129848 /nfs/dbraw/zinc/12/98/48/1382129848.db2.gz SWXBQAWCAOIBGK-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001160518911 1382129853 /nfs/dbraw/zinc/12/98/53/1382129853.db2.gz SWXBQAWCAOIBGK-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP COc1cc2cc[nH+]c(N[C@H]3CC[NH2+]C[C@H]3C(F)(F)F)c2cc1F ZINC001160741708 1382183390 /nfs/dbraw/zinc/18/33/90/1382183390.db2.gz GCQSXBGGUQXBHX-YPMHNXCESA-N 2 1 343.324 3.335 20 0 EGADMP COc1cc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)[nH+]c2ccccc21 ZINC001160741971 1382184414 /nfs/dbraw/zinc/18/44/14/1382184414.db2.gz ULYAPDGFOASMCQ-DGCLKSJQSA-N 2 1 325.334 3.196 20 0 EGADMP O=C(NCCC[NH2+]CC1CCCCCC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160869770 1382220215 /nfs/dbraw/zinc/22/02/15/1382220215.db2.gz SMFHNQWYHXTIBO-RTBURBONSA-N 2 1 335.536 3.070 20 0 EGADMP CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001160990996 1382264604 /nfs/dbraw/zinc/26/46/04/1382264604.db2.gz KBKKQYKMVDIYJX-HXUWFJFHSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001160990996 1382264606 /nfs/dbraw/zinc/26/46/06/1382264606.db2.gz KBKKQYKMVDIYJX-HXUWFJFHSA-N 2 1 347.547 3.332 20 0 EGADMP CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001160990996 1382264610 /nfs/dbraw/zinc/26/46/10/1382264610.db2.gz KBKKQYKMVDIYJX-HXUWFJFHSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC001161084486 1382293902 /nfs/dbraw/zinc/29/39/02/1382293902.db2.gz NHQXMCZXEADSET-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP Cc1cc2c(nc[nH+]c2NC2CC[NH+](Cc3ccc(O)cc3)CC2)[nH]1 ZINC001161131504 1382312203 /nfs/dbraw/zinc/31/22/03/1382312203.db2.gz OHIYKIGMAAJXKL-UHFFFAOYSA-N 2 1 337.427 3.048 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001161204973 1382339677 /nfs/dbraw/zinc/33/96/77/1382339677.db2.gz AMOGBKNGFZOFGR-ZMBJWTFHSA-N 2 1 347.547 3.356 20 0 EGADMP CCC/C=C/CC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001161204973 1382339684 /nfs/dbraw/zinc/33/96/84/1382339684.db2.gz AMOGBKNGFZOFGR-ZMBJWTFHSA-N 2 1 347.547 3.356 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161205693 1382340632 /nfs/dbraw/zinc/34/06/32/1382340632.db2.gz FTGAYEHDMWBLGQ-DDRDIHNTSA-N 2 1 347.547 3.069 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001161205693 1382340635 /nfs/dbraw/zinc/34/06/35/1382340635.db2.gz FTGAYEHDMWBLGQ-DDRDIHNTSA-N 2 1 347.547 3.069 20 0 EGADMP CCC/C=C\CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001161205693 1382340641 /nfs/dbraw/zinc/34/06/41/1382340641.db2.gz FTGAYEHDMWBLGQ-DDRDIHNTSA-N 2 1 347.547 3.069 20 0 EGADMP Cc1ccc2c(C)cc(NC3CCN([C@H]4CC[NH2+]C4)CC3)[nH+]c2c1C ZINC001161473075 1382418412 /nfs/dbraw/zinc/41/84/12/1382418412.db2.gz SUWFJOSOPGEVIR-SFHVURJKSA-N 2 1 338.499 3.398 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1)C(C)C ZINC001161491679 1382421554 /nfs/dbraw/zinc/42/15/54/1382421554.db2.gz LJCVGTLBVAADPG-FQEVSTJZSA-N 2 1 349.563 3.291 20 0 EGADMP CC[NH+](CC)CC(=O)NCCC1=CC[N@H+]([C@H](C)c2ccccc2)CC1 ZINC001161497205 1382423436 /nfs/dbraw/zinc/42/34/36/1382423436.db2.gz SZWBOMQXDGKNLV-GOSISDBHSA-N 2 1 343.515 3.228 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]CC1CC2(CCC2)C1 ZINC001161523931 1382429804 /nfs/dbraw/zinc/42/98/04/1382429804.db2.gz CUTYXKUFMCIBFG-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH+](C)Cc1ccccc1 ZINC001294428698 1382456555 /nfs/dbraw/zinc/45/65/55/1382456555.db2.gz TXYQARSMYJQCCJ-ICSRJNTNSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001294428698 1382456558 /nfs/dbraw/zinc/45/65/58/1382456558.db2.gz TXYQARSMYJQCCJ-ICSRJNTNSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001294428698 1382456562 /nfs/dbraw/zinc/45/65/62/1382456562.db2.gz TXYQARSMYJQCCJ-ICSRJNTNSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001161643729 1382468523 /nfs/dbraw/zinc/46/85/23/1382468523.db2.gz AJTRCSXTDFWRMM-VQIMIIECSA-N 2 1 349.494 3.103 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CC2)CC1 ZINC001161678302 1382477905 /nfs/dbraw/zinc/47/79/05/1382477905.db2.gz DVIFLXDDZYNRSB-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2CC2)CC1 ZINC001161678302 1382477908 /nfs/dbraw/zinc/47/79/08/1382477908.db2.gz DVIFLXDDZYNRSB-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2CC2)CC1 ZINC001161678302 1382477912 /nfs/dbraw/zinc/47/79/12/1382477912.db2.gz DVIFLXDDZYNRSB-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC2=CC[N@@H+](CC3CCC3)CC2)C1 ZINC001161704701 1382485048 /nfs/dbraw/zinc/48/50/48/1382485048.db2.gz GIXIIOACTCAEJG-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC2=CC[N@@H+](CC3CCC3)CC2)C1 ZINC001161704702 1382485292 /nfs/dbraw/zinc/48/52/92/1382485292.db2.gz GIXIIOACTCAEJG-WOJBJXKFSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](CCCC2CCC2)CC1 ZINC001161749667 1382494243 /nfs/dbraw/zinc/49/42/43/1382494243.db2.gz DPHDXXOFYWBLJL-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCC[NH+](C)CCC(=O)NCCC1=CC[N@H+](CCCC2CCC2)CC1 ZINC001161749667 1382494245 /nfs/dbraw/zinc/49/42/45/1382494245.db2.gz DPHDXXOFYWBLJL-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001161749667 1382494246 /nfs/dbraw/zinc/49/42/46/1382494246.db2.gz DPHDXXOFYWBLJL-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001161869932 1382535187 /nfs/dbraw/zinc/53/51/87/1382535187.db2.gz QYPMSCUTJMXSNJ-UHFFFAOYSA-N 2 1 346.519 3.156 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001161869932 1382535192 /nfs/dbraw/zinc/53/51/92/1382535192.db2.gz QYPMSCUTJMXSNJ-UHFFFAOYSA-N 2 1 346.519 3.156 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161932570 1382559494 /nfs/dbraw/zinc/55/94/94/1382559494.db2.gz VJCSMKBXNYCOKO-ONEGZZNKSA-N 2 1 347.547 3.357 20 0 EGADMP CC(C)[C@H](C(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1)[NH+]1CCCC1 ZINC001161952028 1382568263 /nfs/dbraw/zinc/56/82/63/1382568263.db2.gz APBFHZHUPILRSO-HXUWFJFHSA-N 2 1 347.547 3.045 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161952687 1382568543 /nfs/dbraw/zinc/56/85/43/1382568543.db2.gz ISKBIRMRVWPNBL-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001161952687 1382568554 /nfs/dbraw/zinc/56/85/54/1382568554.db2.gz ISKBIRMRVWPNBL-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP CCC(CC)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001161952687 1382568558 /nfs/dbraw/zinc/56/85/58/1382568558.db2.gz ISKBIRMRVWPNBL-HXUWFJFHSA-N 2 1 349.563 3.435 20 0 EGADMP COc1ccc2cc[nH+]c(NCC3(c4cccnc4)CC[NH2+]CC3)c2c1 ZINC001162035989 1382610373 /nfs/dbraw/zinc/61/03/73/1382610373.db2.gz CTHYOGQFNAKZNO-UHFFFAOYSA-N 2 1 348.450 3.372 20 0 EGADMP CC[C@@H](Nc1nc(N2CCC([NH3+])CC2)cc[nH+]1)c1ccc(F)c(F)c1 ZINC001162463677 1382764106 /nfs/dbraw/zinc/76/41/06/1382764106.db2.gz WBARBBHLSIFKRP-MRXNPFEDSA-N 2 1 347.413 3.246 20 0 EGADMP Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(NC[C@H]3C[NH2+][C@H](C)C3)c12 ZINC001162553196 1382788266 /nfs/dbraw/zinc/78/82/66/1382788266.db2.gz XWBFNDUHCIIUPX-IUODEOHRSA-N 2 1 339.443 3.099 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC[C@@]2(F)CCCC[NH2+]C2)nc1 ZINC001162580611 1382797717 /nfs/dbraw/zinc/79/77/17/1382797717.db2.gz VUJPXEDASWAQEK-VQIMIIECSA-N 2 1 334.483 3.350 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001163821627 1383125794 /nfs/dbraw/zinc/12/57/94/1383125794.db2.gz NNIJBXBDALQTDS-IEBWSBKVSA-N 2 1 343.515 3.026 20 0 EGADMP Cn1c(CNc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc2ccccc21 ZINC001163933154 1383136976 /nfs/dbraw/zinc/13/69/76/1383136976.db2.gz AVRWAWYICWNGRH-UHFFFAOYSA-N 2 1 331.423 3.125 20 0 EGADMP Cc1ccc(Br)cc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164211246 1383166186 /nfs/dbraw/zinc/16/61/86/1383166186.db2.gz MFHJSPBKOAHXAK-UHFFFAOYSA-N 2 1 340.309 3.195 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC1(C[NH2+]CCC(C)C)CC1 ZINC001164578783 1383201189 /nfs/dbraw/zinc/20/11/89/1383201189.db2.gz RJEWFOIGCATMMP-KRWDZBQOSA-N 2 1 348.535 3.319 20 0 EGADMP Cn1ccc2c1cc[nH+]c2N1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001165083475 1383224284 /nfs/dbraw/zinc/22/42/84/1383224284.db2.gz GKDCMIWBLDYLNK-PXNSSMCTSA-N 2 1 332.451 3.284 20 0 EGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC001165106724 1383229183 /nfs/dbraw/zinc/22/91/83/1383229183.db2.gz ISUOAOAIDXJQHV-KRWDZBQOSA-N 2 1 348.922 3.299 20 0 EGADMP C[N@H+]1CCC[C@@H](CCNc2c[nH+]c3cc(Br)ccn23)C1 ZINC001165289685 1383266892 /nfs/dbraw/zinc/26/68/92/1383266892.db2.gz IOPKBVNECDHKSP-LBPRGKRZSA-N 2 1 337.265 3.241 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001165764753 1383342007 /nfs/dbraw/zinc/34/20/07/1383342007.db2.gz UNLCFWOYSBRMAZ-QGZVFWFLSA-N 2 1 337.552 3.173 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCC1(C[NH2+]CCC2CC2)CC1 ZINC001165894081 1383358663 /nfs/dbraw/zinc/35/86/63/1383358663.db2.gz ODVVQGOHIGBEGP-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1 ZINC001166750988 1383471375 /nfs/dbraw/zinc/47/13/75/1383471375.db2.gz PAKUNFFPQTVILA-SFHVURJKSA-N 2 1 333.520 3.212 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCCC2(C[NH2+]CC3CCC(C)CC3)CC2)C1 ZINC001167232464 1383571267 /nfs/dbraw/zinc/57/12/67/1383571267.db2.gz DDNVQYLSWBOIEE-XBMUEBEBSA-N 2 1 349.563 3.031 20 0 EGADMP CCC/C=C\CC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001167236080 1383571908 /nfs/dbraw/zinc/57/19/08/1383571908.db2.gz HBUIPNSAIUKKQL-SREVYHEPSA-N 2 1 349.563 3.341 20 0 EGADMP CC(C)CCC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001167240196 1383573363 /nfs/dbraw/zinc/57/33/63/1383573363.db2.gz FHYYEGNLOXUJKU-UHFFFAOYSA-N 2 1 337.552 3.031 20 0 EGADMP CC[NH+](CC)Cc1ccc(Br)cc1N[C@H]1CC[N@@H+](C)C1 ZINC001167281278 1383583870 /nfs/dbraw/zinc/58/38/70/1383583870.db2.gz RMVJSFTZGDXSMD-HNNXBMFYSA-N 2 1 340.309 3.407 20 0 EGADMP CS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001328791543 1388866269 /nfs/dbraw/zinc/86/62/69/1388866269.db2.gz FVZGWVMBLYBTTD-RBUKOAKNSA-N 2 1 334.529 3.235 20 0 EGADMP CS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001328791543 1388866274 /nfs/dbraw/zinc/86/62/74/1388866274.db2.gz FVZGWVMBLYBTTD-RBUKOAKNSA-N 2 1 334.529 3.235 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCCC1(C[NH2+]CCCC(C)C)CC1 ZINC001167458574 1383638345 /nfs/dbraw/zinc/63/83/45/1383638345.db2.gz GQZYNLYXTUQXNP-UHFFFAOYSA-N 2 1 348.535 3.284 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCNc1ncnc2sc3c(c21)CC[NH2+]C3 ZINC001167752685 1383730879 /nfs/dbraw/zinc/73/08/79/1383730879.db2.gz WZDFSJCULCVHNW-CYBMUJFWSA-N 2 1 345.516 3.013 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001167812714 1383746369 /nfs/dbraw/zinc/74/63/69/1383746369.db2.gz VAIAEJLTVXLDBF-UHFFFAOYSA-N 2 1 339.568 3.421 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@]2(C[C@H](CCOC)CO2)C1 ZINC001167823494 1383749236 /nfs/dbraw/zinc/74/92/36/1383749236.db2.gz LLUSVLSOFIUGMA-SLFFLAALSA-N 2 1 340.552 3.405 20 0 EGADMP CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H](C)CCC[NH+](CC)CC)C2 ZINC001167825758 1383749966 /nfs/dbraw/zinc/74/99/66/1383749966.db2.gz TVMUIGWKEMVBNA-CEXWTWQISA-N 2 1 326.525 3.157 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001167825963 1383750049 /nfs/dbraw/zinc/75/00/49/1383750049.db2.gz LVPPMCZXKFQOPF-BPQIPLTHSA-N 2 1 349.544 3.438 20 0 EGADMP CCOCc1ncn2c1C[N@H+]([C@@H](C)CCC[NH+](CC)CC)CCC2 ZINC001167826317 1383750313 /nfs/dbraw/zinc/75/03/13/1383750313.db2.gz WXUIBPXAIKWZBP-KRWDZBQOSA-N 2 1 336.524 3.136 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](Oc2ncccc2OC)C1 ZINC001167834169 1383753054 /nfs/dbraw/zinc/75/30/54/1383753054.db2.gz IMWIVAXDHLCTAI-MSOLQXFVSA-N 2 1 349.519 3.444 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001167835523 1383753981 /nfs/dbraw/zinc/75/39/81/1383753981.db2.gz HMMJEMOAZYLFNS-INIZCTEOSA-N 2 1 349.494 3.105 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001167835584 1383754059 /nfs/dbraw/zinc/75/40/59/1383754059.db2.gz ITIFEPRIVCYTMY-INIZCTEOSA-N 2 1 349.494 3.105 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001167836501 1383755090 /nfs/dbraw/zinc/75/50/90/1383755090.db2.gz XPIRYHPZCCAJFW-UHFFFAOYSA-N 2 1 335.536 3.095 20 0 EGADMP CC(C)(C)C[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975642 1383784207 /nfs/dbraw/zinc/78/42/07/1383784207.db2.gz SVJNYVDXTGSMKP-IHWFROFDSA-N 3 1 333.564 3.492 20 0 EGADMP CCOC(=O)C1(C)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995577 1383791416 /nfs/dbraw/zinc/79/14/16/1383791416.db2.gz JOQCYMUFOOECRO-JWTNVVGKSA-N 2 1 334.504 3.057 20 0 EGADMP C[N@@H+](C[C@H]1Cc2ccccc2O1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168005490 1383794981 /nfs/dbraw/zinc/79/49/81/1383794981.db2.gz JAVVLOXMKJAGFX-JIRNRHONSA-N 2 1 326.484 3.327 20 0 EGADMP C[NH+](C[C@H]1Cc2ccccc2O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168005490 1383794985 /nfs/dbraw/zinc/79/49/85/1383794985.db2.gz JAVVLOXMKJAGFX-JIRNRHONSA-N 2 1 326.484 3.327 20 0 EGADMP C[NH+](C[C@H]1Cc2ccccc2O1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168005490 1383794987 /nfs/dbraw/zinc/79/49/87/1383794987.db2.gz JAVVLOXMKJAGFX-JIRNRHONSA-N 2 1 326.484 3.327 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccco2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168008217 1383795244 /nfs/dbraw/zinc/79/52/44/1383795244.db2.gz WQKXHPNSVASNMM-NBMJBFSESA-N 2 1 328.456 3.344 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccco2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008217 1383795248 /nfs/dbraw/zinc/79/52/48/1383795248.db2.gz WQKXHPNSVASNMM-NBMJBFSESA-N 2 1 328.456 3.344 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cncn2CCF)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168037004 1383800759 /nfs/dbraw/zinc/80/07/59/1383800759.db2.gz YCHUAZLVQSDLPI-IZZQQSIFSA-N 2 1 344.478 3.384 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cncn2CCF)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168037004 1383800763 /nfs/dbraw/zinc/80/07/63/1383800763.db2.gz YCHUAZLVQSDLPI-IZZQQSIFSA-N 2 1 344.478 3.384 20 0 EGADMP C[C@H]1CC([NH2+]Cc2cnn(CCF)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168033456 1383801609 /nfs/dbraw/zinc/80/16/09/1383801609.db2.gz KVWXGUJROPWREP-IRXDYDNUSA-N 2 1 344.478 3.384 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168039263 1383802568 /nfs/dbraw/zinc/80/25/68/1383802568.db2.gz CORSHCHCLZEEPI-IKVWTGGYSA-N 2 1 329.532 3.358 20 0 EGADMP COC(=O)C[C@H]1CC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168057716 1383805229 /nfs/dbraw/zinc/80/52/29/1383805229.db2.gz NMPSRHWCRPHDFS-ZHALLVOQSA-N 2 1 344.499 3.313 20 0 EGADMP COc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCO[C@H](C)C2)c1 ZINC001168101308 1383816735 /nfs/dbraw/zinc/81/67/35/1383816735.db2.gz KQZQIIXKDMVGQH-NXWXRZEISA-N 2 1 332.488 3.335 20 0 EGADMP CCOC(=O)c1cc2c(s1)CC[N@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168324238 1383873303 /nfs/dbraw/zinc/87/33/03/1383873303.db2.gz LKUBIQULGKPDRA-UHFFFAOYSA-N 2 1 336.501 3.156 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001168335664 1383875749 /nfs/dbraw/zinc/87/57/49/1383875749.db2.gz OVLDOOFJVYEIHG-GOSISDBHSA-N 2 1 349.563 3.173 20 0 EGADMP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001168335911 1383876588 /nfs/dbraw/zinc/87/65/88/1383876588.db2.gz ZLLQRQGNWWZOEP-GHOSXJJBSA-N 2 1 349.563 3.483 20 0 EGADMP COC(=O)c1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1Cl ZINC001168359938 1383882507 /nfs/dbraw/zinc/88/25/07/1383882507.db2.gz INQPZHCBWMDWBY-UHFFFAOYSA-N 2 1 336.863 3.091 20 0 EGADMP Cc1ccc(C[NH+]2CCCCC2)cc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168373495 1383887896 /nfs/dbraw/zinc/88/78/96/1383887896.db2.gz DJLGFXIUZZXHPT-LJQANCHMSA-N 2 1 343.515 3.256 20 0 EGADMP Cc1ccc(C[NH+]2CCCCC2)cc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168373495 1383887904 /nfs/dbraw/zinc/88/79/04/1383887904.db2.gz DJLGFXIUZZXHPT-LJQANCHMSA-N 2 1 343.515 3.256 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168392812 1383893945 /nfs/dbraw/zinc/89/39/45/1383893945.db2.gz URQJVEOKFZXDFU-UHFFFAOYSA-N 2 1 341.543 3.457 20 0 EGADMP Cc1cccc(O[C@H]2CCC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)n1 ZINC001168395341 1383894486 /nfs/dbraw/zinc/89/44/86/1383894486.db2.gz WATXZZPLIYWQPK-IBGZPJMESA-N 2 1 329.488 3.108 20 0 EGADMP Cc1cccc(O[C@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)n1 ZINC001168395341 1383894492 /nfs/dbraw/zinc/89/44/92/1383894492.db2.gz WATXZZPLIYWQPK-IBGZPJMESA-N 2 1 329.488 3.108 20 0 EGADMP O=C(NC1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1)C1CCCCC1 ZINC001168394922 1383894982 /nfs/dbraw/zinc/89/49/82/1383894982.db2.gz HWHMNZFOUGNAKF-UHFFFAOYSA-N 2 1 347.547 3.022 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]C/C=C/c1ccccc1 ZINC001168595599 1383944490 /nfs/dbraw/zinc/94/44/90/1383944490.db2.gz LULMYTCBUFZEQE-GXDHUFHOSA-N 2 1 345.531 3.308 20 0 EGADMP [NH3+][C@H]1CCc2nn(-c3ccc4c(c3)C[N@H+](Cc3ccccc3)C4)cc2C1 ZINC001168819223 1384017526 /nfs/dbraw/zinc/01/75/26/1384017526.db2.gz XABNTLHWRXJSJV-FQEVSTJZSA-N 2 1 344.462 3.204 20 0 EGADMP CC(C)[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)Nc1ccc(F)cc1 ZINC001169115278 1384109002 /nfs/dbraw/zinc/10/90/02/1384109002.db2.gz IAUXCUOIOWAMDP-FJIDUMEYSA-N 2 1 333.451 3.004 20 0 EGADMP CC(C)[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)Nc1ccc(F)cc1 ZINC001169115278 1384109003 /nfs/dbraw/zinc/10/90/03/1384109003.db2.gz IAUXCUOIOWAMDP-FJIDUMEYSA-N 2 1 333.451 3.004 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH3+])(c3ccccc3Cl)CC1)C2 ZINC001169118754 1384109798 /nfs/dbraw/zinc/10/97/98/1384109798.db2.gz MXYVGDHNTOVGGT-ZSHCYNCHSA-N 2 1 333.907 3.215 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@H]3CCC[C@@]3(COc3ccccn3)C1)C2 ZINC001169133930 1384112178 /nfs/dbraw/zinc/11/21/78/1384112178.db2.gz NMQXYGKGEIGQTG-AGRFSFNASA-N 2 1 341.499 3.188 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@H]3CCC[C@@]3(COc3ccccn3)C1)C2 ZINC001169133930 1384112179 /nfs/dbraw/zinc/11/21/79/1384112179.db2.gz NMQXYGKGEIGQTG-AGRFSFNASA-N 2 1 341.499 3.188 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@H]3CCC[C@@]3(COc3ccccn3)C1)C2 ZINC001169133930 1384112181 /nfs/dbraw/zinc/11/21/81/1384112181.db2.gz NMQXYGKGEIGQTG-AGRFSFNASA-N 2 1 341.499 3.188 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(Oc3ccc(F)cc3F)CC1)C2 ZINC001169139610 1384112259 /nfs/dbraw/zinc/11/22/59/1384112259.db2.gz CARVKXDPGMTULQ-ZSHCYNCHSA-N 2 1 336.426 3.433 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH+]3CCc4ccccc4C3)CC1)C2 ZINC001169143401 1384113440 /nfs/dbraw/zinc/11/34/40/1384113440.db2.gz FLCQJKHAZLTRNF-ZBYYUNFXSA-N 2 1 339.527 3.134 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC([N@@H+]3CCc4ccccc4C3)CC1)C2 ZINC001169143401 1384113442 /nfs/dbraw/zinc/11/34/42/1384113442.db2.gz FLCQJKHAZLTRNF-ZBYYUNFXSA-N 2 1 339.527 3.134 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC([N@H+]3CCc4ccccc4C3)CC1)C2 ZINC001169143401 1384113444 /nfs/dbraw/zinc/11/34/44/1384113444.db2.gz FLCQJKHAZLTRNF-ZBYYUNFXSA-N 2 1 339.527 3.134 20 0 EGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144644 1384113820 /nfs/dbraw/zinc/11/38/20/1384113820.db2.gz LHYDICXMCWAYFN-ZBYYUNFXSA-N 3 1 341.543 3.456 20 0 EGADMP C[NH+](CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169144644 1384113822 /nfs/dbraw/zinc/11/38/22/1384113822.db2.gz LHYDICXMCWAYFN-ZBYYUNFXSA-N 3 1 341.543 3.456 20 0 EGADMP C[NH+](CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169144644 1384113829 /nfs/dbraw/zinc/11/38/29/1384113829.db2.gz LHYDICXMCWAYFN-ZBYYUNFXSA-N 3 1 341.543 3.456 20 0 EGADMP CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+](C)CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169144644 1384113832 /nfs/dbraw/zinc/11/38/32/1384113832.db2.gz LHYDICXMCWAYFN-ZBYYUNFXSA-N 2 1 341.543 3.456 20 0 EGADMP CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C)CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169144644 1384113836 /nfs/dbraw/zinc/11/38/36/1384113836.db2.gz LHYDICXMCWAYFN-ZBYYUNFXSA-N 2 1 341.543 3.456 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CCc4ccccc4O3)CC1)C2 ZINC001169156746 1384116911 /nfs/dbraw/zinc/11/69/11/1384116911.db2.gz ZWFCDIMLNOCSNE-REPLKXPHSA-N 2 1 326.484 3.471 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001308293338 1384117173 /nfs/dbraw/zinc/11/71/73/1384117173.db2.gz SNTCVXZRIRWEIN-HOTGVXAUSA-N 2 1 336.549 3.404 20 0 EGADMP CCN1CCC([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169240472 1384126344 /nfs/dbraw/zinc/12/63/44/1384126344.db2.gz JBFALRBLPANUHD-IYARVYRRSA-N 2 1 333.495 3.382 20 0 EGADMP CC[NH+]1CCC([N@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169240472 1384126346 /nfs/dbraw/zinc/12/63/46/1384126346.db2.gz JBFALRBLPANUHD-IYARVYRRSA-N 3 1 333.495 3.382 20 0 EGADMP CC[NH+]1CCC([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169240472 1384126348 /nfs/dbraw/zinc/12/63/48/1384126348.db2.gz JBFALRBLPANUHD-IYARVYRRSA-N 3 1 333.495 3.382 20 0 EGADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001169247038 1384127241 /nfs/dbraw/zinc/12/72/41/1384127241.db2.gz WYKZIWXSSFVAQO-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+]1CCC([N@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001169247038 1384127242 /nfs/dbraw/zinc/12/72/42/1384127242.db2.gz WYKZIWXSSFVAQO-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+]1CCC(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)CC1 ZINC001169256176 1384127794 /nfs/dbraw/zinc/12/77/94/1384127794.db2.gz YDFVZXPTKONHQT-NRFANRHFSA-N 2 1 345.506 3.350 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169302205 1384133956 /nfs/dbraw/zinc/13/39/56/1384133956.db2.gz YPBVGSGXIDSYFH-UHFFFAOYSA-N 2 1 344.499 3.428 20 0 EGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC001308793860 1384150083 /nfs/dbraw/zinc/15/00/83/1384150083.db2.gz TWUPMTHEAIPBIX-RBSFLKMASA-N 2 1 334.451 3.064 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC001308793860 1384150084 /nfs/dbraw/zinc/15/00/84/1384150084.db2.gz TWUPMTHEAIPBIX-RBSFLKMASA-N 2 1 334.451 3.064 20 0 EGADMP C[C@H](CCCC[NH2+]Cc1ccc(CF)cc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169807969 1384187755 /nfs/dbraw/zinc/18/77/55/1384187755.db2.gz AHNHKBTYAJBKRJ-APWZRJJASA-N 2 1 349.494 3.015 20 0 EGADMP CCc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001169809963 1384187896 /nfs/dbraw/zinc/18/78/96/1384187896.db2.gz MUXFAIVISQWAGA-FXAWDEMLSA-N 2 1 345.531 3.108 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)c(C)c1 ZINC001169810611 1384188075 /nfs/dbraw/zinc/18/80/75/1384188075.db2.gz RIWPEFGPXWEVSV-UYAOXDASSA-N 2 1 345.531 3.162 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)c(C)c1 ZINC001169810607 1384188244 /nfs/dbraw/zinc/18/82/44/1384188244.db2.gz RIWPEFGPXWEVSV-ICSRJNTNSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)CCC[C@H](C)N(c1[nH+]ccn1C)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001170078486 1384230320 /nfs/dbraw/zinc/23/03/20/1384230320.db2.gz SHUZCJJBYXGMDI-ZWKOTPCHSA-N 2 1 348.535 3.352 20 0 EGADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CC[C@@H](C)C3)CC2)c1 ZINC001170157340 1384250724 /nfs/dbraw/zinc/25/07/24/1384250724.db2.gz KKCYNKXGZYOVLW-DNVCBOLYSA-N 2 1 330.472 3.216 20 0 EGADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CC[C@H](C)C3)CC2)c1 ZINC001170157342 1384250998 /nfs/dbraw/zinc/25/09/98/1384250998.db2.gz KKCYNKXGZYOVLW-HNAYVOBHSA-N 2 1 330.472 3.216 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170527521 1384335565 /nfs/dbraw/zinc/33/55/65/1384335565.db2.gz ZFIPVTHYTPUUAO-NCXUSEDFSA-N 2 1 330.472 3.100 20 0 EGADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170529319 1384336345 /nfs/dbraw/zinc/33/63/45/1384336345.db2.gz KGZNBQKEMYNCQS-UAFMIMERSA-N 2 1 344.499 3.409 20 0 EGADMP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001170751739 1384378923 /nfs/dbraw/zinc/37/89/23/1384378923.db2.gz UYXXZOVPTFSXJC-HMTUNPETSA-N 2 1 337.552 3.480 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170785465 1384384794 /nfs/dbraw/zinc/38/47/94/1384384794.db2.gz MNBKBMWKKXFFJQ-IEBWSBKVSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCc2ccc(Br)cc2C1 ZINC001170847714 1384397891 /nfs/dbraw/zinc/39/78/91/1384397891.db2.gz FNABCKQKAMOPEK-INIZCTEOSA-N 2 1 325.294 3.367 20 0 EGADMP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170862182 1384400940 /nfs/dbraw/zinc/40/09/40/1384400940.db2.gz JQZHWNFYNPBJAJ-NLWGTHIKSA-N 2 1 345.531 3.100 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH2+]Cc1ccsc1)c1ccccc1 ZINC001170869006 1384401903 /nfs/dbraw/zinc/40/19/03/1384401903.db2.gz YREOOCGOHVRMMU-GOSISDBHSA-N 2 1 345.512 3.037 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCCCCF)CC[N@H+]1C ZINC001170870463 1384401936 /nfs/dbraw/zinc/40/19/36/1384401936.db2.gz HKSWRQPFIQGXMH-OKZBNKHCSA-N 2 1 343.531 3.121 20 0 EGADMP CC1CC[NH+](CC(=O)N(C)C[C@@H]2CC[N@H+]2CC2CCCCCC2)CC1 ZINC001316602911 1384470813 /nfs/dbraw/zinc/47/08/13/1384470813.db2.gz AJSLHXFDZCEYLO-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001171247711 1384477591 /nfs/dbraw/zinc/47/75/91/1384477591.db2.gz NLTVMIDQMPNYCG-ZWKOTPCHSA-N 2 1 325.541 3.170 20 0 EGADMP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171253327 1384479329 /nfs/dbraw/zinc/47/93/29/1384479329.db2.gz CBHXINAOHGCGOH-MRXNPFEDSA-N 2 1 325.541 3.172 20 0 EGADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4c(Cl)ccc(OC)c4C3)C[C@@H]2C1 ZINC001171325854 1384495156 /nfs/dbraw/zinc/49/51/56/1384495156.db2.gz FGMPUWXFNGZQOA-OWCLPIDISA-N 2 1 348.918 3.480 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4c(Cl)ccc(OC)c4C3)C[C@@H]2C1 ZINC001171325854 1384495157 /nfs/dbraw/zinc/49/51/57/1384495157.db2.gz FGMPUWXFNGZQOA-OWCLPIDISA-N 2 1 348.918 3.480 20 0 EGADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4c(Cl)ccc(OC)c4C3)C[C@@H]2C1 ZINC001171325854 1384495159 /nfs/dbraw/zinc/49/51/59/1384495159.db2.gz FGMPUWXFNGZQOA-OWCLPIDISA-N 2 1 348.918 3.480 20 0 EGADMP [NH3+]C1(c2cccnc2)CC[NH+]([C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171355157 1384500283 /nfs/dbraw/zinc/50/02/83/1384500283.db2.gz PNKONOPEIZVLMV-QGZVFWFLSA-N 2 1 343.421 3.167 20 0 EGADMP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171537536 1384555716 /nfs/dbraw/zinc/55/57/16/1384555716.db2.gz DSKVHJFYMFSIJH-ICSRJNTNSA-N 2 1 345.531 3.244 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001171618650 1384581741 /nfs/dbraw/zinc/58/17/41/1384581741.db2.gz LSYOMGVDHMOXIG-MRXNPFEDSA-N 2 1 337.552 3.314 20 0 EGADMP C[C@@H]1C[C@H](n2c3ccccc3nc2CC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171724927 1384613727 /nfs/dbraw/zinc/61/37/27/1384613727.db2.gz FHRLQGFVTOWNKW-AEFFLSMTSA-N 2 1 334.467 3.373 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](CC3CCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC001171738544 1384620466 /nfs/dbraw/zinc/62/04/66/1384620466.db2.gz KIMREQZGMXYLMT-QMMLZNLJSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](CC3CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171738544 1384620475 /nfs/dbraw/zinc/62/04/75/1384620475.db2.gz KIMREQZGMXYLMT-QMMLZNLJSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](CC3CCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171738544 1384620480 /nfs/dbraw/zinc/62/04/80/1384620480.db2.gz KIMREQZGMXYLMT-QMMLZNLJSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](CC3CCC3)C2)C[NH+]1Cc1ccccc1 ZINC001171738544 1384620484 /nfs/dbraw/zinc/62/04/84/1384620484.db2.gz KIMREQZGMXYLMT-QMMLZNLJSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1C[C@@H](N2CCC3(CC2)CC[NH+](C)CC3)C[N@H+]1Cc1ccccc1 ZINC001171760655 1384627167 /nfs/dbraw/zinc/62/71/67/1384627167.db2.gz YYCZKPOEDWODST-TZIWHRDSSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH2+]CCc1c(C)nn([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC001171759844 1384627271 /nfs/dbraw/zinc/62/72/71/1384627271.db2.gz NPXUPOABXRALOJ-DNVCBOLYSA-N 2 1 326.488 3.097 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCCC[NH2+]CC1CC2(CCC2)C1 ZINC001171821921 1384651095 /nfs/dbraw/zinc/65/10/95/1384651095.db2.gz PSSCGNKCYOSRBO-MRXNPFEDSA-N 2 1 346.519 3.036 20 0 EGADMP CC1(C)C[C@H](N2C[C@@H](F)C[C@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976250 1384700655 /nfs/dbraw/zinc/70/06/55/1384700655.db2.gz JOJBJYGXOWJWLC-GBESFXJTSA-N 2 1 334.479 3.082 20 0 EGADMP CC1(C)C[C@@H]([NH2+]C2(CO)CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC001171974662 1384700958 /nfs/dbraw/zinc/70/09/58/1384700958.db2.gz IOYNWPLTRNSGMK-SFHVURJKSA-N 2 1 348.556 3.277 20 0 EGADMP COCCN(CCOC)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976080 1384701129 /nfs/dbraw/zinc/70/11/29/1384701129.db2.gz HYGYQOIOLATRFH-LJQANCHMSA-N 2 1 334.504 3.024 20 0 EGADMP COCC[NH+](CCOC)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976080 1384701133 /nfs/dbraw/zinc/70/11/33/1384701133.db2.gz HYGYQOIOLATRFH-LJQANCHMSA-N 2 1 334.504 3.024 20 0 EGADMP CC1(C)C[C@@H]([NH2+]Cc2ccnn2CCF)CC[N@@H+]1Cc1ccccc1 ZINC001171979782 1384702050 /nfs/dbraw/zinc/70/20/50/1384702050.db2.gz QWMKUSGUDBITEY-SFHVURJKSA-N 2 1 344.478 3.385 20 0 EGADMP CC1(C)C[C@@H]([NH2+]Cc2ccnn2CCF)CC[N@H+]1Cc1ccccc1 ZINC001171979782 1384702052 /nfs/dbraw/zinc/70/20/52/1384702052.db2.gz QWMKUSGUDBITEY-SFHVURJKSA-N 2 1 344.478 3.385 20 0 EGADMP COCC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCOCC1 ZINC001171977471 1384702260 /nfs/dbraw/zinc/70/22/60/1384702260.db2.gz BNDNBVHKUPZSRX-LJQANCHMSA-N 2 1 346.515 3.215 20 0 EGADMP C[N@@H+]1C[C@H]2[C@H](C1)CCCN2[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171985976 1384703252 /nfs/dbraw/zinc/70/32/52/1384703252.db2.gz DWKMLODEDUQBTD-ACRUOGEOSA-N 2 1 341.543 3.456 20 0 EGADMP C[NH+]1C[C@H]2[C@H](C1)CCCN2[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171985976 1384703254 /nfs/dbraw/zinc/70/32/54/1384703254.db2.gz DWKMLODEDUQBTD-ACRUOGEOSA-N 2 1 341.543 3.456 20 0 EGADMP C[NH+]1C[C@H]2[C@H](C1)CCCN2[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171985976 1384703258 /nfs/dbraw/zinc/70/32/58/1384703258.db2.gz DWKMLODEDUQBTD-ACRUOGEOSA-N 2 1 341.543 3.456 20 0 EGADMP COC(=O)[C@]1(C)CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171989901 1384707206 /nfs/dbraw/zinc/70/72/06/1384707206.db2.gz ITWIEILVLMHKQI-WIYYLYMNSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@]1(C)CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171989901 1384707208 /nfs/dbraw/zinc/70/72/08/1384707208.db2.gz ITWIEILVLMHKQI-WIYYLYMNSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)[C@]1(C)CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171989901 1384707211 /nfs/dbraw/zinc/70/72/11/1384707211.db2.gz ITWIEILVLMHKQI-WIYYLYMNSA-N 2 1 344.499 3.315 20 0 EGADMP c1nc2c(n1[C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C[NH2+]CC2 ZINC001172069866 1384718373 /nfs/dbraw/zinc/71/83/73/1384718373.db2.gz UXGZMRAELUSFSR-REPLKXPHSA-N 2 1 336.483 3.287 20 0 EGADMP C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@H+]1C ZINC001172075115 1384720248 /nfs/dbraw/zinc/72/02/48/1384720248.db2.gz NZDQQTZQYOQFSM-AYWYSENESA-N 2 1 327.516 3.208 20 0 EGADMP C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH+]1C ZINC001172075115 1384720252 /nfs/dbraw/zinc/72/02/52/1384720252.db2.gz NZDQQTZQYOQFSM-AYWYSENESA-N 2 1 327.516 3.208 20 0 EGADMP C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+]1C ZINC001172075115 1384720255 /nfs/dbraw/zinc/72/02/55/1384720255.db2.gz NZDQQTZQYOQFSM-AYWYSENESA-N 2 1 327.516 3.208 20 0 EGADMP CN(CCC[NH+](C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172078558 1384721788 /nfs/dbraw/zinc/72/17/88/1384721788.db2.gz IGLQAPZMVOUFNI-WKCHPHFGSA-N 2 1 329.532 3.456 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3cccc(F)c3)CC1)C2 ZINC001172103417 1384726522 /nfs/dbraw/zinc/72/65/22/1384726522.db2.gz ULCVIPFWMDOHGC-WKCHPHFGSA-N 2 1 345.506 3.395 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3cccc(F)c3)CC1)C2 ZINC001172103417 1384726530 /nfs/dbraw/zinc/72/65/30/1384726530.db2.gz ULCVIPFWMDOHGC-WKCHPHFGSA-N 2 1 345.506 3.395 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cn(Cc3cccc(F)c3)cn1)C2 ZINC001172112069 1384729845 /nfs/dbraw/zinc/72/98/45/1384729845.db2.gz RBQDOEJSJBYYRR-VJDPLVQDSA-N 2 1 342.462 3.175 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cn(Cc3cccc(F)c3)cn1)C2 ZINC001172112069 1384729849 /nfs/dbraw/zinc/72/98/49/1384729849.db2.gz RBQDOEJSJBYYRR-VJDPLVQDSA-N 2 1 342.462 3.175 20 0 EGADMP COc1ccc(CC[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1OC ZINC001172114684 1384731005 /nfs/dbraw/zinc/73/10/05/1384731005.db2.gz SEMOWMADQXCDCO-BCDXTJNWSA-N 2 1 332.488 3.193 20 0 EGADMP COc1ccc(CC[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1OC ZINC001172114684 1384731009 /nfs/dbraw/zinc/73/10/09/1384731009.db2.gz SEMOWMADQXCDCO-BCDXTJNWSA-N 2 1 332.488 3.193 20 0 EGADMP COc1ccc(CC[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OC ZINC001172114684 1384731012 /nfs/dbraw/zinc/73/10/12/1384731012.db2.gz SEMOWMADQXCDCO-BCDXTJNWSA-N 2 1 332.488 3.193 20 0 EGADMP COc1ccc(CC[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1OC ZINC001172114684 1384731016 /nfs/dbraw/zinc/73/10/16/1384731016.db2.gz SEMOWMADQXCDCO-BCDXTJNWSA-N 2 1 332.488 3.193 20 0 EGADMP COc1cccc2c1C[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CS2 ZINC001172113197 1384731024 /nfs/dbraw/zinc/73/10/24/1384731024.db2.gz HJXWFPXQIYPRAW-LVQVYYBASA-N 2 1 332.513 3.317 20 0 EGADMP COc1cccc2c1C[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CS2 ZINC001172113197 1384731027 /nfs/dbraw/zinc/73/10/27/1384731027.db2.gz HJXWFPXQIYPRAW-LVQVYYBASA-N 2 1 332.513 3.317 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC3(CCC[NH+]3CC3CC3)CC1)C2 ZINC001172115457 1384731385 /nfs/dbraw/zinc/73/13/85/1384731385.db2.gz BJBMWJFEWUJSFA-ACDBMABISA-N 2 1 331.548 3.342 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC3(CCC[N@@H+]3CC3CC3)CC1)C2 ZINC001172115457 1384731387 /nfs/dbraw/zinc/73/13/87/1384731387.db2.gz BJBMWJFEWUJSFA-ACDBMABISA-N 2 1 331.548 3.342 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC3(CCC[N@H+]3CC3CC3)CC1)C2 ZINC001172115457 1384731388 /nfs/dbraw/zinc/73/13/88/1384731388.db2.gz BJBMWJFEWUJSFA-ACDBMABISA-N 2 1 331.548 3.342 20 0 EGADMP Cc1ccccc1C[NH+]1CC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172113418 1384731472 /nfs/dbraw/zinc/73/14/72/1384731472.db2.gz GZDPZETVINUTGO-XSDIEEQYSA-N 2 1 327.516 3.174 20 0 EGADMP Cc1ccccc1C[N@H+]1CC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172113418 1384731474 /nfs/dbraw/zinc/73/14/74/1384731474.db2.gz GZDPZETVINUTGO-XSDIEEQYSA-N 2 1 327.516 3.174 20 0 EGADMP Cc1ccccc1C[N@@H+]1CC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172113418 1384731476 /nfs/dbraw/zinc/73/14/76/1384731476.db2.gz GZDPZETVINUTGO-XSDIEEQYSA-N 2 1 327.516 3.174 20 0 EGADMP Cc1ccccc1C[NH+]1CC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172113415 1384731794 /nfs/dbraw/zinc/73/17/94/1384731794.db2.gz GZDPZETVINUTGO-BURNTYAHSA-N 2 1 327.516 3.174 20 0 EGADMP Cc1ccccc1C[N@H+]1CC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172113415 1384731797 /nfs/dbraw/zinc/73/17/97/1384731797.db2.gz GZDPZETVINUTGO-BURNTYAHSA-N 2 1 327.516 3.174 20 0 EGADMP Cc1ccccc1C[N@@H+]1CC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172113415 1384731799 /nfs/dbraw/zinc/73/17/99/1384731799.db2.gz GZDPZETVINUTGO-BURNTYAHSA-N 2 1 327.516 3.174 20 0 EGADMP COc1ccccc1C[N@H+](C1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172221676 1384750613 /nfs/dbraw/zinc/75/06/13/1384750613.db2.gz YIHCJXZDGJDZLA-LJRDSGNISA-N 2 1 344.499 3.477 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@H](C)[C@@H](C)C1)C2 ZINC001172376443 1384780500 /nfs/dbraw/zinc/78/05/00/1384780500.db2.gz UHIZKGNUVRKQLQ-SQEGATDGSA-N 2 1 334.548 3.491 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CC[C@H](C)[C@@H](C)C1)C2 ZINC001172376443 1384780504 /nfs/dbraw/zinc/78/05/04/1384780504.db2.gz UHIZKGNUVRKQLQ-SQEGATDGSA-N 2 1 334.548 3.491 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CC[C@H](C)[C@@H](C)C1)C2 ZINC001172376443 1384780507 /nfs/dbraw/zinc/78/05/07/1384780507.db2.gz UHIZKGNUVRKQLQ-SQEGATDGSA-N 2 1 334.548 3.491 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CC[C@@H](C)[C@@H](C)C3)CC2)C1 ZINC001172381782 1384782000 /nfs/dbraw/zinc/78/20/00/1384782000.db2.gz ICCAKCBXLHFXOB-SFNKJDCFSA-N 2 1 336.520 3.161 20 0 EGADMP CC(C)COCC[C@@H](C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172468045 1384798999 /nfs/dbraw/zinc/79/89/99/1384798999.db2.gz VEDHYZNORZAGHT-MSOLQXFVSA-N 2 1 340.552 3.449 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001317041107 1384814387 /nfs/dbraw/zinc/81/43/87/1384814387.db2.gz TWTFUMGHRHQNEC-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001317041107 1384814391 /nfs/dbraw/zinc/81/43/91/1384814391.db2.gz TWTFUMGHRHQNEC-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001317041107 1384814395 /nfs/dbraw/zinc/81/43/95/1384814395.db2.gz TWTFUMGHRHQNEC-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H](C)CCC(=O)OC(C)C)CC1 ZINC001172744098 1384842110 /nfs/dbraw/zinc/84/21/10/1384842110.db2.gz OSJIGSOJJMWQLZ-INIZCTEOSA-N 2 1 333.476 3.069 20 0 EGADMP CO[C@@H]1CCC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)C1 ZINC001172942395 1384884697 /nfs/dbraw/zinc/88/46/97/1384884697.db2.gz OURVHINMCPMPIQ-VQTJNVASSA-N 2 1 343.515 3.327 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173081768 1384909945 /nfs/dbraw/zinc/90/99/45/1384909945.db2.gz GVEBJUJYYFCKSF-GFCCVEGCSA-N 2 1 327.350 3.311 20 0 EGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001173085422 1384910697 /nfs/dbraw/zinc/91/06/97/1384910697.db2.gz DFCQOPRHWFUIEW-ZDUSSCGKSA-N 2 1 339.361 3.271 20 0 EGADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001173085422 1384910699 /nfs/dbraw/zinc/91/06/99/1384910699.db2.gz DFCQOPRHWFUIEW-ZDUSSCGKSA-N 2 1 339.361 3.271 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)CC1 ZINC001173111296 1384916961 /nfs/dbraw/zinc/91/69/61/1384916961.db2.gz VCYVADMBBFPVFD-MYKUNDNFSA-N 2 1 341.499 3.235 20 0 EGADMP CC[NH+](CC)C1CCC([N@@H+]2Cc3ccccc3[C@@H](C(=O)OC)C2)CC1 ZINC001173114050 1384917648 /nfs/dbraw/zinc/91/76/48/1384917648.db2.gz UNPFVPLTDJHXOL-QLOJAFMTSA-N 2 1 344.499 3.412 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](Oc3cc(OC)ccn3)C2)CC1 ZINC001173113251 1384917911 /nfs/dbraw/zinc/91/79/11/1384917911.db2.gz IQRFWKDBJGJWQH-TVPLGVNVSA-N 2 1 347.503 3.196 20 0 EGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](C3CCC(Oc4ccccc4)CC3)C[C@@H]2C1 ZINC001173204301 1384935542 /nfs/dbraw/zinc/93/55/42/1384935542.db2.gz OAFYLSTZQNAOQM-QUWFBVPJSA-N 2 1 344.499 3.029 20 0 EGADMP CC[N@H+]1CCO[C@@H]2C[NH+](C3CCC(Oc4ccccc4)CC3)C[C@@H]2C1 ZINC001173204301 1384935544 /nfs/dbraw/zinc/93/55/44/1384935544.db2.gz OAFYLSTZQNAOQM-QUWFBVPJSA-N 2 1 344.499 3.029 20 0 EGADMP CC[NH+]1CCO[C@@H]2C[N@@H+](C3CCC(Oc4ccccc4)CC3)C[C@@H]2C1 ZINC001173204301 1384935547 /nfs/dbraw/zinc/93/55/47/1384935547.db2.gz OAFYLSTZQNAOQM-QUWFBVPJSA-N 2 1 344.499 3.029 20 0 EGADMP CC[NH+]1CCO[C@@H]2C[N@H+](C3CCC(Oc4ccccc4)CC3)C[C@@H]2C1 ZINC001173204301 1384935548 /nfs/dbraw/zinc/93/55/48/1384935548.db2.gz OAFYLSTZQNAOQM-QUWFBVPJSA-N 2 1 344.499 3.029 20 0 EGADMP CCCC[C@H](CC(C)C)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001173257383 1384946426 /nfs/dbraw/zinc/94/64/26/1384946426.db2.gz ZNOVCUDMCJJQLK-GOSISDBHSA-N 2 1 348.535 3.116 20 0 EGADMP CC(C)(C)CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001317196957 1384971224 /nfs/dbraw/zinc/97/12/24/1384971224.db2.gz JKAGEWUEZURFNB-RXVVDRJESA-N 2 1 349.563 3.269 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001317201451 1384978286 /nfs/dbraw/zinc/97/82/86/1384978286.db2.gz AWNLSYWXYYAMMB-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001317201451 1384978289 /nfs/dbraw/zinc/97/82/89/1384978289.db2.gz AWNLSYWXYYAMMB-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317201451 1384978292 /nfs/dbraw/zinc/97/82/92/1384978292.db2.gz AWNLSYWXYYAMMB-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C)CC2 ZINC001173614322 1384988357 /nfs/dbraw/zinc/98/83/57/1384988357.db2.gz SUGIQIQWKKLVDT-YGWSWKRXSA-N 2 1 336.520 3.207 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@H]([N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])C1 ZINC001173647345 1384995029 /nfs/dbraw/zinc/99/50/29/1384995029.db2.gz BIOQBGCYZGTCSU-UHOSZYNNSA-N 2 1 332.488 3.205 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)C1 ZINC001173654715 1384996528 /nfs/dbraw/zinc/99/65/28/1384996528.db2.gz SSTLGYPHVBVVRN-GUDVDZBRSA-N 2 1 336.520 3.449 20 0 EGADMP C[C@@H]1CC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173673474 1385001271 /nfs/dbraw/zinc/00/12/71/1385001271.db2.gz MMLMAYUDXURLNU-OAGGEKHMSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@H](CCCC[NH2+]CCF)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001174880382 1385164095 /nfs/dbraw/zinc/16/40/95/1385164095.db2.gz DJOFCTKAPNCCCS-AEFFLSMTSA-N 2 1 341.515 3.018 20 0 EGADMP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174906730 1385168814 /nfs/dbraw/zinc/16/88/14/1385168814.db2.gz WWMBDNJCDBKXIL-PMEOWRCESA-N 2 1 337.552 3.338 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC/C=C/c1ccccc1)[NH+](C)C ZINC001317513024 1385226261 /nfs/dbraw/zinc/22/62/61/1385226261.db2.gz RCZOBWXRZVMODE-ZCBOBATRSA-N 2 1 343.515 3.011 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]2CCC[C@@H]2C)cc1 ZINC001175257290 1385231601 /nfs/dbraw/zinc/23/16/01/1385231601.db2.gz YJUCUHLWAKJIOW-OALUTQOASA-N 2 1 345.531 3.244 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175257207 1385231728 /nfs/dbraw/zinc/23/17/28/1385231728.db2.gz WUTGSVWTPJJNDY-IRXDYDNUSA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175273985 1385237597 /nfs/dbraw/zinc/23/75/97/1385237597.db2.gz ZDZJVCVLFBDJTN-SFHVURJKSA-N 2 1 339.568 3.419 20 0 EGADMP COc1ccc(C[C@@H](C)[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC001335950109 1388974147 /nfs/dbraw/zinc/97/41/47/1388974147.db2.gz PIFWTQSYGURLMM-CQSZACIVSA-N 2 1 330.497 3.465 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH2+]C/C=C/Cl ZINC001175529449 1385322646 /nfs/dbraw/zinc/32/26/46/1385322646.db2.gz WMRPQNHQMSNNBD-VFADXPBXSA-N 2 1 340.899 3.024 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)CCCC[NH2+]CC1CC1 ZINC001175566665 1385334239 /nfs/dbraw/zinc/33/42/39/1385334239.db2.gz XLVSYTNKPVPXNU-MRXNPFEDSA-N 2 1 334.508 3.071 20 0 EGADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001175572752 1385335561 /nfs/dbraw/zinc/33/55/61/1385335561.db2.gz KWSBURPMEOUIEN-ROUUACIJSA-N 2 1 325.541 3.170 20 0 EGADMP C[N@@H+]1CCc2ccc(Nc3cccc(C[NH+]4CCOCC4)c3)cc2C1 ZINC001175863004 1385425065 /nfs/dbraw/zinc/42/50/65/1385425065.db2.gz HIGQICVSMKRPQZ-UHFFFAOYSA-N 2 1 337.467 3.250 20 0 EGADMP C[N@H+]1CCc2ccc(Nc3cccc(C[NH+]4CCOCC4)c3)cc2C1 ZINC001175863004 1385425067 /nfs/dbraw/zinc/42/50/67/1385425067.db2.gz HIGQICVSMKRPQZ-UHFFFAOYSA-N 2 1 337.467 3.250 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC1CC2(CCC2)C1 ZINC001176024472 1385464056 /nfs/dbraw/zinc/46/40/56/1385464056.db2.gz OPICHMNLKUEOBN-KRWDZBQOSA-N 2 1 337.552 3.173 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317805129 1385501225 /nfs/dbraw/zinc/50/12/25/1385501225.db2.gz JAVDFFKBSMJCMB-MJGOQNOKSA-N 2 1 345.531 3.236 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C)c1 ZINC001176257072 1385529493 /nfs/dbraw/zinc/52/94/93/1385529493.db2.gz FMTOZXYRCNRDNB-IBGZPJMESA-N 2 1 347.547 3.492 20 0 EGADMP CCC(CC)C[N@@H+](C)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001317869479 1385552098 /nfs/dbraw/zinc/55/20/98/1385552098.db2.gz CQGZTDSEVDXDQT-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001317869479 1385552099 /nfs/dbraw/zinc/55/20/99/1385552099.db2.gz CQGZTDSEVDXDQT-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+](C)CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001317869479 1385552106 /nfs/dbraw/zinc/55/21/06/1385552106.db2.gz CQGZTDSEVDXDQT-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1cc(C)cc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001176564338 1385626294 /nfs/dbraw/zinc/62/62/94/1385626294.db2.gz OJMBRUVQECVOTO-AZUAARDMSA-N 2 1 345.531 3.020 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563964 1385626649 /nfs/dbraw/zinc/62/66/49/1385626649.db2.gz IWJWQTIAGLUPIZ-OALUTQOASA-N 2 1 345.531 3.020 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001318301039 1385645090 /nfs/dbraw/zinc/64/50/90/1385645090.db2.gz KJGACIAHFHYOFS-FQEVSTJZSA-N 2 1 349.563 3.413 20 0 EGADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001318410589 1385678635 /nfs/dbraw/zinc/67/86/35/1385678635.db2.gz UIFNXFMVKKTIAW-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001318410587 1385678714 /nfs/dbraw/zinc/67/87/14/1385678714.db2.gz UIFNXFMVKKTIAW-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP C[C@@H]1CCOCC[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001176793433 1385702083 /nfs/dbraw/zinc/70/20/83/1385702083.db2.gz RZPFXLWPTYNECZ-LJQANCHMSA-N 2 1 330.516 3.442 20 0 EGADMP C[C@@H]1CCOCC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001176793433 1385702086 /nfs/dbraw/zinc/70/20/86/1385702086.db2.gz RZPFXLWPTYNECZ-LJQANCHMSA-N 2 1 330.516 3.442 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C(C)C ZINC001176991962 1385765533 /nfs/dbraw/zinc/76/55/33/1385765533.db2.gz GNEJUIFUMOFNHP-HXUWFJFHSA-N 2 1 345.531 3.280 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+]([C@@H]2CCc3c2cccc3F)CC1 ZINC001318954477 1385895856 /nfs/dbraw/zinc/89/58/56/1385895856.db2.gz UWBYOKDBCJQFRK-CBGDNZLLSA-N 2 1 345.506 3.303 20 0 EGADMP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001177342384 1385921111 /nfs/dbraw/zinc/92/11/11/1385921111.db2.gz LXPXXAPMPTWKMV-LJQANCHMSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CCC[C@@H]1C ZINC001177416121 1385949297 /nfs/dbraw/zinc/94/92/97/1385949297.db2.gz UZXIVWBUDJTATI-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N(CCC[NH2+]CC2CCC2)CC2CCCC2)C1 ZINC001177466941 1385967244 /nfs/dbraw/zinc/96/72/44/1385967244.db2.gz LTWOTLCPOGGVBH-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177488750 1385975661 /nfs/dbraw/zinc/97/56/61/1385975661.db2.gz KSFXFVXUCFXRCJ-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC001319187820 1385998271 /nfs/dbraw/zinc/99/82/71/1385998271.db2.gz VIIKYKQXYKILDC-CVEARBPZSA-N 2 1 344.503 3.353 20 0 EGADMP CCC1(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCOCC1 ZINC001177668747 1386018920 /nfs/dbraw/zinc/01/89/20/1386018920.db2.gz CGYGCXPOKMZNKZ-HXUWFJFHSA-N 2 1 330.516 3.347 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001319286373 1386043557 /nfs/dbraw/zinc/04/35/57/1386043557.db2.gz VNIFPRMZSZEMNH-PKOBYXMFSA-N 2 1 337.552 3.173 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCCCCC1 ZINC001178045896 1386115676 /nfs/dbraw/zinc/11/56/76/1386115676.db2.gz YYIAEDQRYCSVFU-IBGZPJMESA-N 2 1 337.552 3.317 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001178045823 1386116026 /nfs/dbraw/zinc/11/60/26/1386116026.db2.gz WPFFROGXJDRIOA-LJQANCHMSA-N 2 1 335.536 3.237 20 0 EGADMP Cc1cc(F)ccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001178291590 1386182050 /nfs/dbraw/zinc/18/20/50/1386182050.db2.gz ZJUFPNOMGOUREW-NRFANRHFSA-N 2 1 342.458 3.381 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001178468220 1386226119 /nfs/dbraw/zinc/22/61/19/1386226119.db2.gz PXYLAURXPAGTAP-QZTJIDSGSA-N 2 1 325.541 3.172 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178484345 1386231522 /nfs/dbraw/zinc/23/15/22/1386231522.db2.gz SVAFCHGNPISVTG-RBUKOAKNSA-N 2 1 337.552 3.317 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001178693514 1386279456 /nfs/dbraw/zinc/27/94/56/1386279456.db2.gz UZDVBUHFLYKDHJ-IBGZPJMESA-N 2 1 335.536 3.070 20 0 EGADMP O=C(NCCCCCC[NH2+]CCC1CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001178693603 1386280484 /nfs/dbraw/zinc/28/04/84/1386280484.db2.gz XITRGADLFJVZSN-HXUWFJFHSA-N 2 1 349.563 3.460 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001319827635 1386321655 /nfs/dbraw/zinc/32/16/55/1386321655.db2.gz RGRWGXRBENPXBQ-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178925850 1386350737 /nfs/dbraw/zinc/35/07/37/1386350737.db2.gz KYEAHLTYVHLEAA-NEPBSLMDSA-N 2 1 335.536 3.186 20 0 EGADMP CC[C@@H](C(=O)N1CCC(CC[N@@H+](C)C(C)C)CC1)[NH+](CC)CC ZINC001319885253 1386360570 /nfs/dbraw/zinc/36/05/70/1386360570.db2.gz KJKPCKUMGWWPSP-SFHVURJKSA-N 2 1 325.541 3.076 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(C)ns1 ZINC001178971515 1386364924 /nfs/dbraw/zinc/36/49/24/1386364924.db2.gz IQURKNSYXDMNNZ-IEBWSBKVSA-N 2 1 345.512 3.078 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(C)ns1 ZINC001178971515 1386364930 /nfs/dbraw/zinc/36/49/30/1386364930.db2.gz IQURKNSYXDMNNZ-IEBWSBKVSA-N 2 1 345.512 3.078 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001179029404 1386382662 /nfs/dbraw/zinc/38/26/62/1386382662.db2.gz HBNQPKRBXNFSFR-UHFFFAOYSA-N 2 1 346.519 3.348 20 0 EGADMP CC1CC(C[NH2+][C@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@H]2C)C1 ZINC001179234053 1386428329 /nfs/dbraw/zinc/42/83/29/1386428329.db2.gz GUJSCPGQSTZODQ-NIAPBTPMSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC001179338145 1386455234 /nfs/dbraw/zinc/45/52/34/1386455234.db2.gz DDLCLRGPEXXCOW-APWZRJJASA-N 2 1 334.467 3.421 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC001179338145 1386455238 /nfs/dbraw/zinc/45/52/38/1386455238.db2.gz DDLCLRGPEXXCOW-APWZRJJASA-N 2 1 334.467 3.421 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC001179338145 1386455241 /nfs/dbraw/zinc/45/52/41/1386455241.db2.gz DDLCLRGPEXXCOW-APWZRJJASA-N 2 1 334.467 3.421 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]CC(C)C)C1 ZINC001179357413 1386461589 /nfs/dbraw/zinc/46/15/89/1386461589.db2.gz BDFYOGMONAYHAZ-SFHVURJKSA-N 2 1 325.541 3.031 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001320169274 1386545470 /nfs/dbraw/zinc/54/54/70/1386545470.db2.gz CNHCBICJOQFVQI-OALUTQOASA-N 2 1 337.552 3.173 20 0 EGADMP CCCCCC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001179719610 1386564376 /nfs/dbraw/zinc/56/43/76/1386564376.db2.gz KJBUPOVQRJPKCE-WMZOPIPTSA-N 2 1 334.508 3.131 20 0 EGADMP O=C(NCCCCCC[NH2+]CCC1CC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179788142 1386585894 /nfs/dbraw/zinc/58/58/94/1386585894.db2.gz OERLNLRHYRRRQN-MOPGFXCFSA-N 2 1 335.536 3.070 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179792370 1386587398 /nfs/dbraw/zinc/58/73/98/1386587398.db2.gz IEBGMCPPLFRDLQ-OALUTQOASA-N 2 1 337.552 3.460 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179792554 1386587792 /nfs/dbraw/zinc/58/77/92/1386587792.db2.gz ROFSPHCZAKFDNT-RTBURBONSA-N 2 1 337.552 3.316 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)[C@@H]1C ZINC001179983067 1386658095 /nfs/dbraw/zinc/65/80/95/1386658095.db2.gz KLBDYDHJCAQIKJ-GJYPPUQNSA-N 2 1 349.494 3.198 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001179988921 1386660038 /nfs/dbraw/zinc/66/00/38/1386660038.db2.gz PTXSBJVDYJFXKO-HXUWFJFHSA-N 2 1 345.531 3.282 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]C/C=C\c1ccccc1 ZINC001179989490 1386660140 /nfs/dbraw/zinc/66/01/40/1386660140.db2.gz ZVRZMPRLAZNFMP-KAMYIIQDSA-N 2 1 345.531 3.308 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H](NC[C@@H]1CCC[N@@H+](CC)C1)CCC2 ZINC001320861717 1386740531 /nfs/dbraw/zinc/74/05/31/1386740531.db2.gz FDLSKJCCRQECFL-HOTGVXAUSA-N 2 1 348.487 3.464 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)CCC2 ZINC001320861717 1386740538 /nfs/dbraw/zinc/74/05/38/1386740538.db2.gz FDLSKJCCRQECFL-HOTGVXAUSA-N 2 1 348.487 3.464 20 0 EGADMP Cc1cc(C)cc(C[NH2+]CCCCCCNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001180260534 1386749339 /nfs/dbraw/zinc/74/93/39/1386749339.db2.gz ZVWONIZBIXILNE-FQEVSTJZSA-N 2 1 345.531 3.021 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001180264541 1386750593 /nfs/dbraw/zinc/75/05/93/1386750593.db2.gz IBSWQYKWWSUAIN-IBGZPJMESA-N 2 1 349.563 3.175 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cc1 ZINC001320894296 1386750645 /nfs/dbraw/zinc/75/06/45/1386750645.db2.gz QISUQQQIMGJBHJ-UHFFFAOYSA-N 2 1 344.503 3.280 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cc1 ZINC001320894296 1386750650 /nfs/dbraw/zinc/75/06/50/1386750650.db2.gz QISUQQQIMGJBHJ-UHFFFAOYSA-N 2 1 344.503 3.280 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001180274454 1386752100 /nfs/dbraw/zinc/75/21/00/1386752100.db2.gz FIMYRTNZFNXPRS-UHFFFAOYSA-N 2 1 346.519 3.038 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CC(C)C1 ZINC001180372687 1386777422 /nfs/dbraw/zinc/77/74/22/1386777422.db2.gz HIHAHXRMRVYINJ-CTWPCTMYSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)C[NH2+]CCCCCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001180452338 1386800735 /nfs/dbraw/zinc/80/07/35/1386800735.db2.gz RNPVOUZUVLGDDL-UHFFFAOYSA-N 2 1 333.520 3.041 20 0 EGADMP CC(C)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001180452338 1386800741 /nfs/dbraw/zinc/80/07/41/1386800741.db2.gz RNPVOUZUVLGDDL-UHFFFAOYSA-N 2 1 333.520 3.041 20 0 EGADMP CC[NH+]1CCC(CC2CCN(C(=O)C[N@@H+](C)C3CCCC3)CC2)CC1 ZINC001180629273 1386852545 /nfs/dbraw/zinc/85/25/45/1386852545.db2.gz QXQYJXMQOOZTBX-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)(C)[C@]1(C[N@@H+]2CC[C@@](F)(CO)C2)CC[NH+](Cc2ccccc2)C1 ZINC001181145328 1386946747 /nfs/dbraw/zinc/94/67/47/1386946747.db2.gz PLXHNERRIUWNFM-RTWAWAEBSA-N 2 1 348.506 3.331 20 0 EGADMP CC(C)(C)[C@]1(C[N@H+]2CC[C@@](F)(CO)C2)CC[NH+](Cc2ccccc2)C1 ZINC001181145328 1386946752 /nfs/dbraw/zinc/94/67/52/1386946752.db2.gz PLXHNERRIUWNFM-RTWAWAEBSA-N 2 1 348.506 3.331 20 0 EGADMP CC(C)(C)[C@]1(C[NH+]2CC[C@@](F)(CO)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001181145328 1386946757 /nfs/dbraw/zinc/94/67/57/1386946757.db2.gz PLXHNERRIUWNFM-RTWAWAEBSA-N 2 1 348.506 3.331 20 0 EGADMP CC(C)(C)[C@]1(C[NH+]2CC[C@@](F)(CO)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001181145328 1386946759 /nfs/dbraw/zinc/94/67/59/1386946759.db2.gz PLXHNERRIUWNFM-RTWAWAEBSA-N 2 1 348.506 3.331 20 0 EGADMP CN(C)c1nc(Cl)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC001181514751 1387008026 /nfs/dbraw/zinc/00/80/26/1387008026.db2.gz NIOFHRDHNSYKBJ-ZDUSSCGKSA-N 2 1 342.940 3.026 20 0 EGADMP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001181720468 1387044807 /nfs/dbraw/zinc/04/48/07/1387044807.db2.gz GCZUZLXRTDZBAX-SFHLNBCPSA-N 2 1 349.563 3.005 20 0 EGADMP CCCCC[N@@H+](C)CCC(=O)N1CCC2(CCC[NH+]2CC2CC2)CC1 ZINC001181862708 1387065463 /nfs/dbraw/zinc/06/54/63/1387065463.db2.gz HMYRHMVOVGKDPA-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+](C)CCC(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001181862708 1387065466 /nfs/dbraw/zinc/06/54/66/1387065466.db2.gz HMYRHMVOVGKDPA-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+](C)CCC(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001181862708 1387065473 /nfs/dbraw/zinc/06/54/73/1387065473.db2.gz HMYRHMVOVGKDPA-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP Cc1nccn1-c1ccncc1NC(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC001322159598 1387081458 /nfs/dbraw/zinc/08/14/58/1387081458.db2.gz YFBQCRVOUXOMMK-LAUBAEHRSA-N 2 1 344.418 3.418 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)N[C@@]1(C)CCC[NH+](C)C1)c1ccccc1 ZINC001182238557 1387129006 /nfs/dbraw/zinc/12/90/06/1387129006.db2.gz XWCIQSSIOQZSLD-FPOVZHCZSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+](CC)[C@H](C(=O)N[C@@]1(C)CCC[N@H+](C)C1)c1ccccc1 ZINC001182238557 1387129007 /nfs/dbraw/zinc/12/90/07/1387129007.db2.gz XWCIQSSIOQZSLD-FPOVZHCZSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+](CC)[C@H](C(=O)N[C@@]1(C)CCC[N@@H+](C)C1)c1ccccc1 ZINC001182238557 1387129009 /nfs/dbraw/zinc/12/90/09/1387129009.db2.gz XWCIQSSIOQZSLD-FPOVZHCZSA-N 2 1 345.531 3.450 20 0 EGADMP CCc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001322306284 1387151380 /nfs/dbraw/zinc/15/13/80/1387151380.db2.gz JABKXHDGQZNVOD-SFHVURJKSA-N 2 1 345.531 3.062 20 0 EGADMP Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)NC(C)(C)CC[NH+](C)C)C1 ZINC001182342820 1387153249 /nfs/dbraw/zinc/15/32/49/1387153249.db2.gz FUPMEYIMUJUZHK-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP CN(C)c1c(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)ccc(F)c1F ZINC001336887619 1389196904 /nfs/dbraw/zinc/19/69/04/1389196904.db2.gz DHYJRULCQJIGMX-NUEKZKHPSA-N 2 1 337.458 3.193 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cnc(CC(F)(F)F)s3)C[C@H]2C1 ZINC001336889354 1389197313 /nfs/dbraw/zinc/19/73/13/1389197313.db2.gz SLJNQCLXICCDJN-YNEHKIRRSA-N 2 1 347.450 3.410 20 0 EGADMP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001329952345 1389271127 /nfs/dbraw/zinc/27/11/27/1389271127.db2.gz JUJXXNDGLGFLDY-FQEVSTJZSA-N 2 1 345.531 3.279 20 0 EGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001329952345 1389271130 /nfs/dbraw/zinc/27/11/30/1389271130.db2.gz JUJXXNDGLGFLDY-FQEVSTJZSA-N 2 1 345.531 3.279 20 0 EGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001329952345 1389271133 /nfs/dbraw/zinc/27/11/33/1389271133.db2.gz JUJXXNDGLGFLDY-FQEVSTJZSA-N 2 1 345.531 3.279 20 0 EGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001329952345 1389271137 /nfs/dbraw/zinc/27/11/37/1389271137.db2.gz JUJXXNDGLGFLDY-FQEVSTJZSA-N 2 1 345.531 3.279 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001330499981 1389432187 /nfs/dbraw/zinc/43/21/87/1389432187.db2.gz PNGLRRNYELYIEJ-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001330499981 1389432190 /nfs/dbraw/zinc/43/21/90/1389432190.db2.gz PNGLRRNYELYIEJ-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001330499981 1389432192 /nfs/dbraw/zinc/43/21/92/1389432192.db2.gz PNGLRRNYELYIEJ-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CN3C[C@@H](C4CCCCC4)CC3=O)C[C@H]2C1 ZINC001337805532 1389448873 /nfs/dbraw/zinc/44/88/73/1389448873.db2.gz MSBAJRIZWDEHDS-YSTOQKLRSA-N 2 1 347.547 3.035 20 0 EGADMP Cc1oc2ccccc2c1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001338310812 1389630320 /nfs/dbraw/zinc/63/03/20/1389630320.db2.gz UODVNEAVOJMKMP-UHFFFAOYSA-N 2 1 328.456 3.474 20 0 EGADMP c1cc2c(cc1C[NH+]1CCC([NH2+]C3CCOCC3)CC1)CCCC2 ZINC001333734548 1390387644 /nfs/dbraw/zinc/38/76/44/1390387644.db2.gz ORIRMERBVDELAH-UHFFFAOYSA-N 2 1 328.500 3.298 20 0 EGADMP C[C@H](CC[NH2+]Cc1cnn(C)c1C1CC1)[N@H+](C)Cc1ccccc1 ZINC001342978586 1390680032 /nfs/dbraw/zinc/68/00/32/1390680032.db2.gz HZYWRNOHHJOZHA-MRXNPFEDSA-N 2 1 326.488 3.298 20 0 EGADMP C[C@H](CC[NH2+]Cc1cnn(C)c1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001342978586 1390680035 /nfs/dbraw/zinc/68/00/35/1390680035.db2.gz HZYWRNOHHJOZHA-MRXNPFEDSA-N 2 1 326.488 3.298 20 0 EGADMP C[C@@H](CC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC001343021171 1390684703 /nfs/dbraw/zinc/68/47/03/1390684703.db2.gz HZPKBWVAMSWVOY-JKSUJKDBSA-N 2 1 330.476 3.036 20 0 EGADMP Cc1cc(NC(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cc(C)[nH+]1 ZINC001348901159 1391281860 /nfs/dbraw/zinc/28/18/60/1391281860.db2.gz FUPSJPKAHBELKP-VQIMIIECSA-N 2 1 344.503 3.272 20 0 EGADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(-c2ccnn2C)c1 ZINC001349326162 1391321513 /nfs/dbraw/zinc/32/15/13/1391321513.db2.gz URVSSISPARIKQB-UHFFFAOYSA-N 2 1 338.499 3.361 20 0 EGADMP Cc1cc(F)cc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)[nH+]1 ZINC001354101448 1392120500 /nfs/dbraw/zinc/12/05/00/1392120500.db2.gz ATJQRPVTBSMBBJ-UHFFFAOYSA-N 2 1 329.419 3.098 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1 ZINC001479371105 1392226933 /nfs/dbraw/zinc/22/69/33/1392226933.db2.gz JAESRCBSYSQBRR-YVWKXTFCSA-N 2 1 343.515 3.106 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc2ccccc2c1 ZINC001698862703 1406574551 /nfs/dbraw/zinc/57/45/51/1406574551.db2.gz UHTLGLXHFKJTJS-QGZVFWFLSA-N 2 1 341.499 3.118 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001480183361 1392614861 /nfs/dbraw/zinc/61/48/61/1392614861.db2.gz RHXURRZSLNSDMW-YQQQUEKLSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001480183361 1392614862 /nfs/dbraw/zinc/61/48/62/1392614862.db2.gz RHXURRZSLNSDMW-YQQQUEKLSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001480183361 1392614863 /nfs/dbraw/zinc/61/48/63/1392614863.db2.gz RHXURRZSLNSDMW-YQQQUEKLSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+]1CCC(CC(=O)NC[C@@H]2CCCC[N@H+]2CCC2CCCC2)CC1 ZINC001480328479 1392688230 /nfs/dbraw/zinc/68/82/30/1392688230.db2.gz UKMATZBDUCLHON-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480733635 1392897303 /nfs/dbraw/zinc/89/73/03/1392897303.db2.gz QEQZMTZRTTYUGL-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP C[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)c1cccc(F)c1)[NH+]1CCCCCC1 ZINC001480920789 1393021245 /nfs/dbraw/zinc/02/12/45/1393021245.db2.gz XIKWNSVYAOLQEY-IRXDYDNUSA-N 2 1 349.494 3.199 20 0 EGADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001490558613 1394259434 /nfs/dbraw/zinc/25/94/34/1394259434.db2.gz LQHJTVZHUHRLCD-OXQOHEQNSA-N 2 1 339.483 3.043 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491109842 1394431467 /nfs/dbraw/zinc/43/14/67/1394431467.db2.gz NHBBGOITUQMOPL-ROUUACIJSA-N 2 1 343.515 3.060 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001481985132 1394646950 /nfs/dbraw/zinc/64/69/50/1394646950.db2.gz QBIRQAJLBXVESK-PMACEKPBSA-N 2 1 347.547 3.189 20 0 EGADMP Cc1cc(C)cc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001482100345 1394747096 /nfs/dbraw/zinc/74/70/96/1394747096.db2.gz DDJSBIUMAARQOH-UYAOXDASSA-N 2 1 345.531 3.018 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCC2CCCC2)C1 ZINC001482477779 1395032503 /nfs/dbraw/zinc/03/25/03/1395032503.db2.gz IDZPRKZHDHWSAK-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](CCNC(=O)CCC[NH+]1CCCC1)CC1CCC(C)(C)CC1 ZINC001492873963 1396327538 /nfs/dbraw/zinc/32/75/38/1396327538.db2.gz YNPHMMSBNCYXMI-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001494156743 1396389002 /nfs/dbraw/zinc/38/90/02/1396389002.db2.gz IMIHKPJOCCMWKH-RTBURBONSA-N 2 1 345.531 3.178 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)Cc2cccc(C)c2)C1 ZINC001494171133 1396395887 /nfs/dbraw/zinc/39/58/87/1396395887.db2.gz GVOCHDQEEGFTNZ-FQEVSTJZSA-N 2 1 345.531 3.007 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(C)c2)C1 ZINC001494171133 1396395891 /nfs/dbraw/zinc/39/58/91/1396395891.db2.gz GVOCHDQEEGFTNZ-FQEVSTJZSA-N 2 1 345.531 3.007 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(C)c2)C1 ZINC001494171133 1396395895 /nfs/dbraw/zinc/39/58/95/1396395895.db2.gz GVOCHDQEEGFTNZ-FQEVSTJZSA-N 2 1 345.531 3.007 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001689879270 1404181674 /nfs/dbraw/zinc/18/16/74/1404181674.db2.gz OCTMAYHCMAVQFE-AZUAARDMSA-N 2 1 347.547 3.389 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001690455565 1404585019 /nfs/dbraw/zinc/58/50/19/1404585019.db2.gz VVDLTHIBABFOEH-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001690455565 1404585026 /nfs/dbraw/zinc/58/50/26/1404585026.db2.gz VVDLTHIBABFOEH-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001690455565 1404585035 /nfs/dbraw/zinc/58/50/35/1404585035.db2.gz VVDLTHIBABFOEH-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001690504603 1404616708 /nfs/dbraw/zinc/61/67/08/1404616708.db2.gz GCGTXUKTXZJNMC-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001690504603 1404616712 /nfs/dbraw/zinc/61/67/12/1404616712.db2.gz GCGTXUKTXZJNMC-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC001690504603 1404616713 /nfs/dbraw/zinc/61/67/13/1404616713.db2.gz GCGTXUKTXZJNMC-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001691154051 1405088230 /nfs/dbraw/zinc/08/82/30/1405088230.db2.gz JEUCGCPVSNIAKR-LPHOPBHVSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c2ccccc2C)C1 ZINC001691441365 1405271457 /nfs/dbraw/zinc/27/14/57/1405271457.db2.gz OPSCDYYFAZVQEX-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCC1CCCC1)C(=O)C[NH+](C)CC(C)(C)C ZINC001691661159 1405393902 /nfs/dbraw/zinc/39/39/02/1405393902.db2.gz NHLPFYWZFIIDJH-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CN(C[C@H]1CC[NH+]1CCC1CCCC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001691661159 1405393906 /nfs/dbraw/zinc/39/39/06/1405393906.db2.gz NHLPFYWZFIIDJH-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CN(C[C@H]1CC[NH+]1CCC1CCCC1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001691661159 1405393909 /nfs/dbraw/zinc/39/39/09/1405393909.db2.gz NHLPFYWZFIIDJH-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(C)c1 ZINC001691850674 1405567338 /nfs/dbraw/zinc/56/73/38/1405567338.db2.gz BQMDJPBMKPNRCN-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CCCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001691860469 1405577735 /nfs/dbraw/zinc/57/77/35/1405577735.db2.gz HGZQORDUZAYSBI-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001691860469 1405577743 /nfs/dbraw/zinc/57/77/43/1405577743.db2.gz HGZQORDUZAYSBI-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001691860469 1405577746 /nfs/dbraw/zinc/57/77/46/1405577746.db2.gz HGZQORDUZAYSBI-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001732088042 1428351187 /nfs/dbraw/zinc/35/11/87/1428351187.db2.gz GAYNWIRAIRASGD-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+][C@H](C)c2cccc(F)c2)CCCC1 ZINC001732399580 1428565826 /nfs/dbraw/zinc/56/58/26/1428565826.db2.gz KSBAZSWOXMZHPP-MRXNPFEDSA-N 2 1 349.494 3.247 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001699190834 1412563174 /nfs/dbraw/zinc/56/31/74/1412563174.db2.gz WPBPHMLRTKBMLI-UYAOXDASSA-N 2 1 345.531 3.306 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001699204515 1412572479 /nfs/dbraw/zinc/57/24/79/1412572479.db2.gz MCSCSRSLBYYBJH-QGZVFWFLSA-N 2 1 333.520 3.164 20 0 EGADMP C[N@@H+](CCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CC1)C1CCCCC1 ZINC001699482169 1412876977 /nfs/dbraw/zinc/87/69/77/1412876977.db2.gz PLAKSTDQNSUMQQ-AZUAARDMSA-N 2 1 349.563 3.316 20 0 EGADMP CCc1ccccc1C[NH+]1CCC(C)(NC(=O)CC[N@H+](C)CC)CC1 ZINC001699775212 1413184668 /nfs/dbraw/zinc/18/46/68/1413184668.db2.gz YUTLSWDWNSGMRT-UHFFFAOYSA-N 2 1 345.531 3.062 20 0 EGADMP CC1CC(C[N@H+]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)C2)C1 ZINC001700293945 1413752623 /nfs/dbraw/zinc/75/26/23/1413752623.db2.gz LOCXDPQKDXLKCI-CTWPCTMYSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1CCCC1CCC1 ZINC001700323791 1413791758 /nfs/dbraw/zinc/79/17/58/1413791758.db2.gz MJURHXYLSFFWJS-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)N1CCC[C@H]1C[N@@H+](C)CCC1CC1)C1CCCCC1 ZINC001700355553 1413854903 /nfs/dbraw/zinc/85/49/03/1413854903.db2.gz JPXRAKMQUZYIGH-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CC1)C[C@@H]1CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001700355553 1413854905 /nfs/dbraw/zinc/85/49/05/1413854905.db2.gz JPXRAKMQUZYIGH-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CC1)C[C@@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001700355553 1413854909 /nfs/dbraw/zinc/85/49/09/1413854909.db2.gz JPXRAKMQUZYIGH-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CCCC(C)(C)C ZINC001732596135 1428832624 /nfs/dbraw/zinc/83/26/24/1428832624.db2.gz YGCWQKUNELFPDT-GOSISDBHSA-N 2 1 339.568 3.466 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)CCCC(C)(C)C ZINC001732596135 1428832628 /nfs/dbraw/zinc/83/26/28/1428832628.db2.gz YGCWQKUNELFPDT-GOSISDBHSA-N 2 1 339.568 3.466 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CCCC(C)(C)C ZINC001732596135 1428832636 /nfs/dbraw/zinc/83/26/36/1428832636.db2.gz YGCWQKUNELFPDT-GOSISDBHSA-N 2 1 339.568 3.466 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001732703714 1428917353 /nfs/dbraw/zinc/91/73/53/1428917353.db2.gz YVHMBWDBZSFYLS-DLBZAZTESA-N 2 1 331.504 3.025 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713062607 1417620007 /nfs/dbraw/zinc/62/00/07/1417620007.db2.gz GCHYHKGAGCYCHZ-ZWKOTPCHSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001713062607 1417620013 /nfs/dbraw/zinc/62/00/13/1417620013.db2.gz GCHYHKGAGCYCHZ-ZWKOTPCHSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001713062607 1417620024 /nfs/dbraw/zinc/62/00/24/1417620024.db2.gz GCHYHKGAGCYCHZ-ZWKOTPCHSA-N 2 1 339.568 3.227 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713506170 1418228728 /nfs/dbraw/zinc/22/87/28/1418228728.db2.gz PQTIOCYWRGKSBD-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001713541783 1418303643 /nfs/dbraw/zinc/30/36/43/1418303643.db2.gz NUNRJPIMHIPBGB-MOPGFXCFSA-N 2 1 343.515 3.062 20 0 EGADMP C[NH+](C)C1(C(=O)NCC[N@@H+](CC2CCCCCC2)C2CC2)CCC1 ZINC001713558054 1418352329 /nfs/dbraw/zinc/35/23/29/1418352329.db2.gz WTKLGICHPGAABI-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H]1CCC[C@@H](C)C1 ZINC001713711228 1418470693 /nfs/dbraw/zinc/47/06/93/1418470693.db2.gz DVAVVLARVKLIHJ-WCIQWLHISA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H]1CCC[C@@H](C)C1 ZINC001713711228 1418470698 /nfs/dbraw/zinc/47/06/98/1418470698.db2.gz DVAVVLARVKLIHJ-WCIQWLHISA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H]1CCC[C@@H](C)C1 ZINC001713711228 1418470701 /nfs/dbraw/zinc/47/07/01/1418470701.db2.gz DVAVVLARVKLIHJ-WCIQWLHISA-N 2 1 349.563 3.220 20 0 EGADMP CCCN(C(=O)CCCn1cc[nH+]c1C)C1CC[NH+](CCC)CC1 ZINC001713857885 1418654270 /nfs/dbraw/zinc/65/42/70/1418654270.db2.gz IHCYNZRUQALJLU-UHFFFAOYSA-N 2 1 334.508 3.085 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccc(C)c(C)c1 ZINC001714117542 1418921238 /nfs/dbraw/zinc/92/12/38/1418921238.db2.gz YUFSLRFIPBDSHF-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)c(C)c1 ZINC001714117542 1418921239 /nfs/dbraw/zinc/92/12/39/1418921239.db2.gz YUFSLRFIPBDSHF-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C)c(C)c1 ZINC001714117542 1418921241 /nfs/dbraw/zinc/92/12/41/1418921241.db2.gz YUFSLRFIPBDSHF-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001714353652 1419119481 /nfs/dbraw/zinc/11/94/81/1419119481.db2.gz AMUNIKQXWROZSD-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH]cn1)[C@H](C)c1ccccc1C ZINC001714593033 1419341530 /nfs/dbraw/zinc/34/15/30/1419341530.db2.gz CYBKVFFCQKAMKI-DLBZAZTESA-N 2 1 342.487 3.096 20 0 EGADMP CC[N@H+](CCNC(=O)[C@@H](C)Cc1cnc[nH]1)[C@H](C)c1ccccc1C ZINC001714593033 1419341534 /nfs/dbraw/zinc/34/15/34/1419341534.db2.gz CYBKVFFCQKAMKI-DLBZAZTESA-N 2 1 342.487 3.096 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H](C)Cc1cnc[nH]1)[C@H](C)c1ccccc1C ZINC001714593033 1419341538 /nfs/dbraw/zinc/34/15/38/1419341538.db2.gz CYBKVFFCQKAMKI-DLBZAZTESA-N 2 1 342.487 3.096 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H](C)c1ccccc1C ZINC001714657584 1419439660 /nfs/dbraw/zinc/43/96/60/1419439660.db2.gz XWKDWENTFFNROD-GOSISDBHSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)Cc1ccccc1 ZINC001714659313 1419443044 /nfs/dbraw/zinc/44/30/44/1419443044.db2.gz SFVRMKYCUJCYQC-FQEVSTJZSA-N 2 1 345.531 3.278 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)Cc1ccccc1 ZINC001714659313 1419443046 /nfs/dbraw/zinc/44/30/46/1419443046.db2.gz SFVRMKYCUJCYQC-FQEVSTJZSA-N 2 1 345.531 3.278 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)Cc1ccccc1 ZINC001714659313 1419443047 /nfs/dbraw/zinc/44/30/47/1419443047.db2.gz SFVRMKYCUJCYQC-FQEVSTJZSA-N 2 1 345.531 3.278 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001715001731 1419732514 /nfs/dbraw/zinc/73/25/14/1419732514.db2.gz HYROWPATQSUWRX-FQEVSTJZSA-N 2 1 345.531 3.031 20 0 EGADMP C[N@@H+](CC(=O)NC1(C[NH2+]CC2CCCCCC2)CCCC1)C1CCC1 ZINC001715092179 1419832994 /nfs/dbraw/zinc/83/29/94/1419832994.db2.gz OBRAVSDDQDQBNC-UHFFFAOYSA-N 2 1 349.563 3.460 20 0 EGADMP CC[NH2+]C[C@]1(NC(=O)CC[N@@H+](C)C2CCCCC2)CCCC[C@H]1C ZINC001715127124 1419873884 /nfs/dbraw/zinc/87/38/84/1419873884.db2.gz IGBFHSJTPLJPSK-YLJYHZDGSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001715213006 1419944994 /nfs/dbraw/zinc/94/49/94/1419944994.db2.gz TYSDZNYNRBRCJT-VQIMIIECSA-N 2 1 346.519 3.139 20 0 EGADMP CC[C@@H](C(=O)N1CCC2(CC[N@@H+](CC(C)C)C2)CC1)[NH+](CC)CC ZINC001715218529 1419952172 /nfs/dbraw/zinc/95/21/72/1419952172.db2.gz WSNLLGQOWNEPQM-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001715218880 1419952840 /nfs/dbraw/zinc/95/28/40/1419952840.db2.gz YQWACXZSFAIWRE-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC001715270499 1419986498 /nfs/dbraw/zinc/98/64/98/1419986498.db2.gz FLBPJIUGLAOPGJ-FXAWDEMLSA-N 2 1 345.531 3.020 20 0 EGADMP C[C@H](C[N@@H+](C)[C@@H](C)c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716031995 1420491190 /nfs/dbraw/zinc/49/11/90/1420491190.db2.gz VNTBSTYIPSMQSA-MSOLQXFVSA-N 2 1 345.531 3.449 20 0 EGADMP C[C@H](C[N@@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001716043380 1420506598 /nfs/dbraw/zinc/50/65/98/1420506598.db2.gz WFDKISNEZPVJNW-CVEARBPZSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001716065132 1420523917 /nfs/dbraw/zinc/52/39/17/1420523917.db2.gz JHVGUIXETYNKHC-HKUYNNGSSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001716684805 1420838518 /nfs/dbraw/zinc/83/85/18/1420838518.db2.gz CVFKWMGNWBRGKF-IEBWSBKVSA-N 2 1 349.563 3.314 20 0 EGADMP C[N@@H+](CC(=O)NCC[NH+](CC1CC1)C1CCCCCC1)C1CCC1 ZINC001716712884 1420865778 /nfs/dbraw/zinc/86/57/78/1420865778.db2.gz CGZLMHKEEOJECA-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)NCC[N@H+](CC1CC1)C1CCCCCC1)C1CCC1 ZINC001716712884 1420865781 /nfs/dbraw/zinc/86/57/81/1420865781.db2.gz CGZLMHKEEOJECA-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](CC(=O)NCC[N@@H+](CC1CC1)C1CCCCCC1)C1CCC1 ZINC001716712884 1420865782 /nfs/dbraw/zinc/86/57/82/1420865782.db2.gz CGZLMHKEEOJECA-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC([N@H+](CC(C)C)CC2CC2)CC1 ZINC001716714966 1420870332 /nfs/dbraw/zinc/87/03/32/1420870332.db2.gz GQVVTPLSNTWFQR-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC([N@@H+](CC(C)C)CC2CC2)CC1 ZINC001716714966 1420870337 /nfs/dbraw/zinc/87/03/37/1420870337.db2.gz GQVVTPLSNTWFQR-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001716895296 1421022151 /nfs/dbraw/zinc/02/21/51/1421022151.db2.gz HHNIAQXTYMUHMF-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001716895296 1421022152 /nfs/dbraw/zinc/02/21/52/1421022152.db2.gz HHNIAQXTYMUHMF-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001716895296 1421022156 /nfs/dbraw/zinc/02/21/56/1421022156.db2.gz HHNIAQXTYMUHMF-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CN(CCC[N@@H+](C)CC1CCCCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001717211240 1421185122 /nfs/dbraw/zinc/18/51/22/1421185122.db2.gz JINIXNBCULMOBW-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@H](Cc1c[nH]cn1)C(=O)N(C)CCC[N@@H+](C)CC1CCCCCC1 ZINC001717212930 1421187770 /nfs/dbraw/zinc/18/77/70/1421187770.db2.gz SFRNCRVGMHVZLR-QGZVFWFLSA-N 2 1 348.535 3.339 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)N(C)CCC[N@H+](C)CC1CCCCCC1 ZINC001717212930 1421187771 /nfs/dbraw/zinc/18/77/71/1421187771.db2.gz SFRNCRVGMHVZLR-QGZVFWFLSA-N 2 1 348.535 3.339 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)N(C)CCC[N@@H+](C)CC1CCCCCC1 ZINC001717212930 1421187772 /nfs/dbraw/zinc/18/77/72/1421187772.db2.gz SFRNCRVGMHVZLR-QGZVFWFLSA-N 2 1 348.535 3.339 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001717217080 1421195555 /nfs/dbraw/zinc/19/55/55/1421195555.db2.gz OIYVKPWQVJSTOX-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001717337343 1421274875 /nfs/dbraw/zinc/27/48/75/1421274875.db2.gz WIFIAMDKIJSVPK-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001733290508 1429469671 /nfs/dbraw/zinc/46/96/71/1429469671.db2.gz RHGOPFLPJIZTEQ-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CN(CC(C)(C)C[NH2+]CC1CC1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001717457667 1421387047 /nfs/dbraw/zinc/38/70/47/1421387047.db2.gz OXVRNEFJWRNZGT-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@H]1CCCc2ccccc21 ZINC001717494617 1421434771 /nfs/dbraw/zinc/43/47/71/1421434771.db2.gz KRYYDFXAPNZAMP-XLIONFOSSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001717494617 1421434772 /nfs/dbraw/zinc/43/47/72/1421434772.db2.gz KRYYDFXAPNZAMP-XLIONFOSSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001717494617 1421434773 /nfs/dbraw/zinc/43/47/73/1421434773.db2.gz KRYYDFXAPNZAMP-XLIONFOSSA-N 2 1 345.531 3.232 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC[C@]2(CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001733300636 1429485065 /nfs/dbraw/zinc/48/50/65/1429485065.db2.gz QFGOMHXQBQWVIU-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cccc(CC)c2)C[C@@H]1C ZINC001717826686 1421640454 /nfs/dbraw/zinc/64/04/54/1421640454.db2.gz DOECLAGMIWHMSP-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccc(F)cc2)[C@@H]1C ZINC001717860907 1421673389 /nfs/dbraw/zinc/67/33/89/1421673389.db2.gz RFSRLIABEGBGGL-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2)[C@@H]1C ZINC001717860907 1421673390 /nfs/dbraw/zinc/67/33/90/1421673390.db2.gz RFSRLIABEGBGGL-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)[C@@H]1C ZINC001717860907 1421673391 /nfs/dbraw/zinc/67/33/91/1421673391.db2.gz RFSRLIABEGBGGL-APWZRJJASA-N 2 1 349.494 3.027 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001717882746 1421686466 /nfs/dbraw/zinc/68/64/66/1421686466.db2.gz HLGZLRBHRXFZFS-UYAOXDASSA-N 2 1 345.531 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC(C)C)cc1F ZINC001718034805 1421786595 /nfs/dbraw/zinc/78/65/95/1421786595.db2.gz SDGNWEIYPJUJKE-IBGZPJMESA-N 2 1 349.494 3.062 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001733410988 1429611080 /nfs/dbraw/zinc/61/10/80/1429611080.db2.gz HBGDKDGJVKCABK-OXJNMPFZSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001733410988 1429611081 /nfs/dbraw/zinc/61/10/81/1429611081.db2.gz HBGDKDGJVKCABK-OXJNMPFZSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001733410988 1429611082 /nfs/dbraw/zinc/61/10/82/1429611082.db2.gz HBGDKDGJVKCABK-OXJNMPFZSA-N 2 1 349.494 3.199 20 0 EGADMP C[C@]1(NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+](CCCC2CCC2)C1 ZINC001733414182 1429617209 /nfs/dbraw/zinc/61/72/09/1429617209.db2.gz TURWNQNMFPQUNX-NRFANRHFSA-N 2 1 349.563 3.413 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@]2(C)CC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC001733416496 1429620866 /nfs/dbraw/zinc/62/08/66/1429620866.db2.gz FLXXKYNLGYJPIW-FQEVSTJZSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001733469593 1429703529 /nfs/dbraw/zinc/70/35/29/1429703529.db2.gz XSYKICWLFCKZMG-FQEVSTJZSA-N 2 1 337.552 3.271 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001723520743 1424450628 /nfs/dbraw/zinc/45/06/28/1424450628.db2.gz CTYIALXMIXXCCH-GOSISDBHSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)C[C@H]1C ZINC001723877243 1424595641 /nfs/dbraw/zinc/59/56/41/1424595641.db2.gz TYRPHLXQQKOLLP-POQYLXETSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@]1(C)CCC[N@H+](CCC2CC2)C1 ZINC001724334628 1424829554 /nfs/dbraw/zinc/82/95/54/1424829554.db2.gz UQIRKKOEDXLORV-FQEVSTJZSA-N 2 1 346.519 3.025 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@]1(C)CCC[N@@H+](CCC2CC2)C1 ZINC001724334628 1424829561 /nfs/dbraw/zinc/82/95/61/1424829561.db2.gz UQIRKKOEDXLORV-FQEVSTJZSA-N 2 1 346.519 3.025 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001724753926 1425124304 /nfs/dbraw/zinc/12/43/04/1425124304.db2.gz IFHKKPMPLMSOBZ-QWFCFKBJSA-N 2 1 345.531 3.354 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)CC1 ZINC001724847252 1425201319 /nfs/dbraw/zinc/20/13/19/1425201319.db2.gz VWZHOZSPTZQKFY-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001724847252 1425201322 /nfs/dbraw/zinc/20/13/22/1425201322.db2.gz VWZHOZSPTZQKFY-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001724847252 1425201330 /nfs/dbraw/zinc/20/13/30/1425201330.db2.gz VWZHOZSPTZQKFY-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001724864392 1425246984 /nfs/dbraw/zinc/24/69/84/1425246984.db2.gz SXMRGFDWVRTRQY-MOPGFXCFSA-N 2 1 337.552 3.079 20 0 EGADMP Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001724969153 1425367184 /nfs/dbraw/zinc/36/71/84/1425367184.db2.gz GFCJPLCZJUSPIS-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP CCCC[N@H+]1CCCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001725341677 1425991820 /nfs/dbraw/zinc/99/18/20/1425991820.db2.gz IMQCWZRRQXGIFB-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1C/C=C/c1ccccc1 ZINC001731543950 1427559812 /nfs/dbraw/zinc/55/98/12/1427559812.db2.gz OXDHCMUWGQMVRR-RGFVMQALSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1 ZINC001731543950 1427559814 /nfs/dbraw/zinc/55/98/14/1427559814.db2.gz OXDHCMUWGQMVRR-RGFVMQALSA-N 2 1 343.515 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1C/C=C/c1ccccc1 ZINC001731543950 1427559819 /nfs/dbraw/zinc/55/98/19/1427559819.db2.gz OXDHCMUWGQMVRR-RGFVMQALSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001731719465 1427786256 /nfs/dbraw/zinc/78/62/56/1427786256.db2.gz GVZNFHCNGFLVDV-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001731719465 1427786261 /nfs/dbraw/zinc/78/62/61/1427786261.db2.gz GVZNFHCNGFLVDV-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001731719465 1427786267 /nfs/dbraw/zinc/78/62/67/1427786267.db2.gz GVZNFHCNGFLVDV-WOJBJXKFSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](CC)c1ccccc1 ZINC001731864488 1428109855 /nfs/dbraw/zinc/10/98/55/1428109855.db2.gz KXFPEWHNTJSEMM-MISYRCLQSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H](CC)c1ccccc1 ZINC001731864488 1428109857 /nfs/dbraw/zinc/10/98/57/1428109857.db2.gz KXFPEWHNTJSEMM-MISYRCLQSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H](CC)c1ccccc1 ZINC001731864488 1428109860 /nfs/dbraw/zinc/10/98/60/1428109860.db2.gz KXFPEWHNTJSEMM-MISYRCLQSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)c1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001734061449 1437855227 /nfs/dbraw/zinc/85/52/27/1437855227.db2.gz FDJWQAWLYQBOEG-PXNSSMCTSA-N 2 1 347.547 3.333 20 0 EGADMP C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001734121274 1437901643 /nfs/dbraw/zinc/90/16/43/1437901643.db2.gz IMHNPQZAWYKPKJ-IRXDYDNUSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](C)CCCC2CCC2)CC1 ZINC001734268769 1437990180 /nfs/dbraw/zinc/99/01/80/1437990180.db2.gz ZYYDKSCAAKMRRY-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CCCC2CCC2)CC1 ZINC001734268769 1437990183 /nfs/dbraw/zinc/99/01/83/1437990183.db2.gz ZYYDKSCAAKMRRY-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CCCC2CCC2)CC1 ZINC001734268769 1437990184 /nfs/dbraw/zinc/99/01/84/1437990184.db2.gz ZYYDKSCAAKMRRY-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)[C@@H](C)c2ccccc2)CC1 ZINC001734271135 1438000486 /nfs/dbraw/zinc/00/04/86/1438000486.db2.gz DNEXKOGUGOZOGY-KRWDZBQOSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001734271135 1438000489 /nfs/dbraw/zinc/00/04/89/1438000489.db2.gz DNEXKOGUGOZOGY-KRWDZBQOSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001734271135 1438000490 /nfs/dbraw/zinc/00/04/90/1438000490.db2.gz DNEXKOGUGOZOGY-KRWDZBQOSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH2+]Cc1cc(C)ccc1C)C(C)(C)C ZINC001734573616 1438167128 /nfs/dbraw/zinc/16/71/28/1438167128.db2.gz IMQQVJCHXVBMSK-LJQANCHMSA-N 2 1 347.547 3.266 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CC1=CCCCC1 ZINC001752072310 1440137998 /nfs/dbraw/zinc/13/79/98/1440137998.db2.gz AHVYMWNDTVWREW-LJQANCHMSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CC1=CCCCC1 ZINC001752072310 1440138000 /nfs/dbraw/zinc/13/80/00/1440138000.db2.gz AHVYMWNDTVWREW-LJQANCHMSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)CC1=CCCCC1 ZINC001752072310 1440138001 /nfs/dbraw/zinc/13/80/01/1440138001.db2.gz AHVYMWNDTVWREW-LJQANCHMSA-N 2 1 335.536 3.188 20 0 EGADMP Cc1ccccc1C[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001752073629 1440138006 /nfs/dbraw/zinc/13/80/06/1440138006.db2.gz RMGSIKXAYKTVAT-HXUWFJFHSA-N 2 1 345.531 3.196 20 0 EGADMP Cc1ccccc1C[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001752073629 1440138008 /nfs/dbraw/zinc/13/80/08/1440138008.db2.gz RMGSIKXAYKTVAT-HXUWFJFHSA-N 2 1 345.531 3.196 20 0 EGADMP Cc1ccccc1C[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001752073629 1440138009 /nfs/dbraw/zinc/13/80/09/1440138009.db2.gz RMGSIKXAYKTVAT-HXUWFJFHSA-N 2 1 345.531 3.196 20 0 EGADMP CCC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001752436863 1440180519 /nfs/dbraw/zinc/18/05/19/1440180519.db2.gz ZTVSBUAWOBZPLF-WLMAVBAVSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]([NH2+]CCCC2CCCC2)C2CC2)CC[N@H+]1C ZINC001752479267 1440185248 /nfs/dbraw/zinc/18/52/48/1440185248.db2.gz DKWUKOQXFOVJSN-VDGAXYAQSA-N 2 1 349.563 3.172 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]([NH2+]CCC2CCCCCC2)C2CC2)C1 ZINC001752489842 1440186360 /nfs/dbraw/zinc/18/63/60/1440186360.db2.gz BLSXJGNNGBZOQO-ICSRJNTNSA-N 2 1 349.563 3.173 20 0 EGADMP CCCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001752527711 1440193490 /nfs/dbraw/zinc/19/34/90/1440193490.db2.gz MZMOVFPKSZIKKV-RTBURBONSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001752527711 1440193491 /nfs/dbraw/zinc/19/34/91/1440193491.db2.gz MZMOVFPKSZIKKV-RTBURBONSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001752527711 1440193492 /nfs/dbraw/zinc/19/34/92/1440193492.db2.gz MZMOVFPKSZIKKV-RTBURBONSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCCC(C)(C)C)C1 ZINC001752699027 1440201445 /nfs/dbraw/zinc/20/14/45/1440201445.db2.gz VQBKTKFAICBBMR-MVCQKVDPSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC(C)(C)C)C1 ZINC001752699027 1440201446 /nfs/dbraw/zinc/20/14/46/1440201446.db2.gz VQBKTKFAICBBMR-MVCQKVDPSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC(C)(C)C)C1 ZINC001752699027 1440201447 /nfs/dbraw/zinc/20/14/47/1440201447.db2.gz VQBKTKFAICBBMR-MVCQKVDPSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001752766063 1440205594 /nfs/dbraw/zinc/20/55/94/1440205594.db2.gz OXQUBAWYDDIWQI-FCEWJHQRSA-N 2 1 341.515 3.016 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001752789266 1440212997 /nfs/dbraw/zinc/21/29/97/1440212997.db2.gz BDUKLSNCYWRPEZ-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1CCC(C)(C)C ZINC001752824823 1440223059 /nfs/dbraw/zinc/22/30/59/1440223059.db2.gz FFDKZJQEMGEMKA-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001752824823 1440223060 /nfs/dbraw/zinc/22/30/60/1440223060.db2.gz FFDKZJQEMGEMKA-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1CCC(C)(C)C ZINC001752824823 1440223061 /nfs/dbraw/zinc/22/30/61/1440223061.db2.gz FFDKZJQEMGEMKA-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001752825191 1440223218 /nfs/dbraw/zinc/22/32/18/1440223218.db2.gz NEIWRPMDAGKNGR-PMACEKPBSA-N 2 1 343.515 3.226 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001752825191 1440223219 /nfs/dbraw/zinc/22/32/19/1440223219.db2.gz NEIWRPMDAGKNGR-PMACEKPBSA-N 2 1 343.515 3.226 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001752825193 1440223296 /nfs/dbraw/zinc/22/32/96/1440223296.db2.gz NEIWRPMDAGKNGR-VQTJNVASSA-N 2 1 343.515 3.226 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001752825193 1440223297 /nfs/dbraw/zinc/22/32/97/1440223297.db2.gz NEIWRPMDAGKNGR-VQTJNVASSA-N 2 1 343.515 3.226 20 0 EGADMP CC/C=C/CC[NH2+]C1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001752852850 1440233939 /nfs/dbraw/zinc/23/39/39/1440233939.db2.gz SFQUPICRNLVUAI-BQYQJAHWSA-N 2 1 337.552 3.338 20 0 EGADMP CCCCCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001752855054 1440234714 /nfs/dbraw/zinc/23/47/14/1440234714.db2.gz GUAXYTBZXHKDCN-CTWPCTMYSA-N 2 1 337.552 3.458 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001752875666 1440238025 /nfs/dbraw/zinc/23/80/25/1440238025.db2.gz LRUBFUXIQCKKGH-CVEARBPZSA-N 2 1 346.519 3.071 20 0 EGADMP Cc1cc(C)cc(C[NH2+][C@H]2CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001752983380 1440257546 /nfs/dbraw/zinc/25/75/46/1440257546.db2.gz JJOTWZQWWHRBOA-PMACEKPBSA-N 2 1 345.531 3.161 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001752991758 1440259730 /nfs/dbraw/zinc/25/97/30/1440259730.db2.gz XSLBHCMZZFFIQF-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001752991758 1440259731 /nfs/dbraw/zinc/25/97/31/1440259731.db2.gz XSLBHCMZZFFIQF-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001752991758 1440259732 /nfs/dbraw/zinc/25/97/32/1440259732.db2.gz XSLBHCMZZFFIQF-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001752996595 1440262180 /nfs/dbraw/zinc/26/21/80/1440262180.db2.gz GWEZHDPGOVLUSA-ICSRJNTNSA-N 2 1 345.531 3.402 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CCCC2CCCC2)C1 ZINC001752997317 1440262715 /nfs/dbraw/zinc/26/27/15/1440262715.db2.gz OLDMDVNBNDMXPM-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001752997317 1440262716 /nfs/dbraw/zinc/26/27/16/1440262716.db2.gz OLDMDVNBNDMXPM-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001752997317 1440262717 /nfs/dbraw/zinc/26/27/17/1440262717.db2.gz OLDMDVNBNDMXPM-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001752999986 1440264213 /nfs/dbraw/zinc/26/42/13/1440264213.db2.gz LMEUVADMQIVKJA-PMACEKPBSA-N 2 1 343.515 3.178 20 0 EGADMP CC(C)=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001752999986 1440264214 /nfs/dbraw/zinc/26/42/14/1440264214.db2.gz LMEUVADMQIVKJA-PMACEKPBSA-N 2 1 343.515 3.178 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CCC(C)(C)C ZINC001753083802 1440295264 /nfs/dbraw/zinc/29/52/64/1440295264.db2.gz RQCJLIRFOWNCOI-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CCC(C)(C)C ZINC001753083802 1440295265 /nfs/dbraw/zinc/29/52/65/1440295265.db2.gz RQCJLIRFOWNCOI-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CCC(C)(C)C ZINC001753083802 1440295266 /nfs/dbraw/zinc/29/52/66/1440295266.db2.gz RQCJLIRFOWNCOI-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)[C@H](C)c1ccc(F)cc1 ZINC001753095039 1440302026 /nfs/dbraw/zinc/30/20/26/1440302026.db2.gz NCBRJRAMQHSRAO-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)[C@H](C)c1ccc(F)cc1 ZINC001753095039 1440302027 /nfs/dbraw/zinc/30/20/27/1440302027.db2.gz NCBRJRAMQHSRAO-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)[C@H](C)c1ccc(F)cc1 ZINC001753095039 1440302028 /nfs/dbraw/zinc/30/20/28/1440302028.db2.gz NCBRJRAMQHSRAO-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](CCNC(=O)c1cccc(C[NH+](C)C)c1)CC1CCCCC1 ZINC001753095240 1440302219 /nfs/dbraw/zinc/30/22/19/1440302219.db2.gz QNQBNNFVWURETP-UHFFFAOYSA-N 2 1 345.531 3.380 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001753105859 1440306062 /nfs/dbraw/zinc/30/60/62/1440306062.db2.gz IVIRKOAPULDDGI-PKOBYXMFSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001753105859 1440306063 /nfs/dbraw/zinc/30/60/63/1440306063.db2.gz IVIRKOAPULDDGI-PKOBYXMFSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001753105859 1440306064 /nfs/dbraw/zinc/30/60/64/1440306064.db2.gz IVIRKOAPULDDGI-PKOBYXMFSA-N 2 1 343.515 3.121 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)CC[NH2+]CC[C@H]1CCC[C@H](C)C1 ZINC001753236640 1440341679 /nfs/dbraw/zinc/34/16/79/1440341679.db2.gz BJHPSVGEQZIZQS-ZWKOTPCHSA-N 2 1 348.535 3.271 20 0 EGADMP CCC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001753273416 1440345724 /nfs/dbraw/zinc/34/57/24/1440345724.db2.gz BOTYDRWWBBYOST-ISDNTMMISA-N 2 1 349.563 3.290 20 0 EGADMP CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001753315960 1440359571 /nfs/dbraw/zinc/35/95/71/1440359571.db2.gz JBXLMMQQRGBMOB-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001753315960 1440359572 /nfs/dbraw/zinc/35/95/72/1440359572.db2.gz JBXLMMQQRGBMOB-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001753315960 1440359573 /nfs/dbraw/zinc/35/95/73/1440359573.db2.gz JBXLMMQQRGBMOB-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001753319371 1440362075 /nfs/dbraw/zinc/36/20/75/1440362075.db2.gz DJEBTEQECFPIND-RTBURBONSA-N 2 1 337.552 3.364 20 0 EGADMP CC(C)CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001753366036 1440385145 /nfs/dbraw/zinc/38/51/45/1440385145.db2.gz VZWFXYRSNOMYBD-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001753366036 1440385146 /nfs/dbraw/zinc/38/51/46/1440385146.db2.gz VZWFXYRSNOMYBD-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CCC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001753366036 1440385147 /nfs/dbraw/zinc/38/51/47/1440385147.db2.gz VZWFXYRSNOMYBD-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@@H+](CCC(=O)NC1C[NH+](CC2CC3(CCC3)C2)C1)C1CCCCC1 ZINC001753382167 1440387899 /nfs/dbraw/zinc/38/78/99/1440387899.db2.gz JZAZTMJDFURZQT-UHFFFAOYSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001753427981 1440397501 /nfs/dbraw/zinc/39/75/01/1440397501.db2.gz RRGZUMXIPFNTAS-SLFFLAALSA-N 2 1 349.563 3.218 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001753427988 1440397673 /nfs/dbraw/zinc/39/76/73/1440397673.db2.gz RZNFCEWARLOUMM-SLFFLAALSA-N 2 1 343.515 3.155 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001753427988 1440397674 /nfs/dbraw/zinc/39/76/74/1440397674.db2.gz RZNFCEWARLOUMM-SLFFLAALSA-N 2 1 343.515 3.155 20 0 EGADMP CC/C=C\CC[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001753436197 1440399951 /nfs/dbraw/zinc/39/99/51/1440399951.db2.gz GTUPUUHRDZCRGN-JTGQJZMRSA-N 2 1 349.544 3.312 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001753436197 1440399952 /nfs/dbraw/zinc/39/99/52/1440399952.db2.gz GTUPUUHRDZCRGN-JTGQJZMRSA-N 2 1 349.544 3.312 20 0 EGADMP C[C@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1)c1ccccc1 ZINC001753503800 1440423976 /nfs/dbraw/zinc/42/39/76/1440423976.db2.gz SSMPYNUNNSPWPR-YQVWRLOYSA-N 2 1 343.515 3.106 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CCC1=CCCCC1)C1CC1 ZINC001753523648 1440429054 /nfs/dbraw/zinc/42/90/54/1440429054.db2.gz OEADJEJLNUHGNR-FPOVZHCZSA-N 2 1 347.547 3.236 20 0 EGADMP CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001753559922 1440436663 /nfs/dbraw/zinc/43/66/63/1440436663.db2.gz XRXVDEMINGIPRZ-AZUAARDMSA-N 2 1 345.531 3.308 20 0 EGADMP CCC/C=C\CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001753570957 1440438517 /nfs/dbraw/zinc/43/85/17/1440438517.db2.gz UNRFDZDPZSYTFR-KKHYBRAUSA-N 2 1 349.563 3.435 20 0 EGADMP O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001753575473 1440439211 /nfs/dbraw/zinc/43/92/11/1440439211.db2.gz IXWXCYRDBQATCF-VQTJNVASSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001753595373 1440444503 /nfs/dbraw/zinc/44/45/03/1440444503.db2.gz WAJVQIFYRCHRGM-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CCC(C)C)CCCC2)C1 ZINC001753668374 1440461060 /nfs/dbraw/zinc/46/10/60/1440461060.db2.gz XPFKODRZFNJCQO-GOSISDBHSA-N 2 1 337.552 3.173 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC2CCC3(CC3)CC2)CC[N@H+]1C ZINC001753693859 1440467130 /nfs/dbraw/zinc/46/71/30/1440467130.db2.gz YRSBVHHNRRATOP-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP CC/C=C\CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001753776361 1440486503 /nfs/dbraw/zinc/48/65/03/1440486503.db2.gz DGXJOQARPDPSGQ-IVCWSTDESA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001753782220 1440487457 /nfs/dbraw/zinc/48/74/57/1440487457.db2.gz CXESSNVHINEWOG-IBGZPJMESA-N 2 1 337.552 3.410 20 0 EGADMP CCC(CC)C[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001753788288 1440488574 /nfs/dbraw/zinc/48/85/74/1440488574.db2.gz ONBDSTUJOQQIBO-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC2=CCCCC2)C1 ZINC001753800082 1440490647 /nfs/dbraw/zinc/49/06/47/1440490647.db2.gz VBXOBWWEMCEBMY-HKUYNNGSSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001753800097 1440490744 /nfs/dbraw/zinc/49/07/44/1440490744.db2.gz VHJJXFSJPYYSEC-ZWKOTPCHSA-N 2 1 348.535 3.269 20 0 EGADMP Cc1ccccc1C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001753830352 1440499449 /nfs/dbraw/zinc/49/94/49/1440499449.db2.gz VCERZFVZPZGYKL-VQTJNVASSA-N 2 1 345.531 3.098 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C(C)C ZINC001753836041 1440501041 /nfs/dbraw/zinc/50/10/41/1440501041.db2.gz WOBUVFVDQBJYFE-ZWKOTPCHSA-N 2 1 339.568 3.273 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001753877626 1440519980 /nfs/dbraw/zinc/51/99/80/1440519980.db2.gz YMIKFCADRKXRAQ-HNNXBMFYSA-N 2 1 339.911 3.133 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001753877626 1440519981 /nfs/dbraw/zinc/51/99/81/1440519981.db2.gz YMIKFCADRKXRAQ-HNNXBMFYSA-N 2 1 339.911 3.133 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001753877626 1440519979 /nfs/dbraw/zinc/51/99/79/1440519979.db2.gz YMIKFCADRKXRAQ-HNNXBMFYSA-N 2 1 339.911 3.133 20 0 EGADMP CCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001753889819 1440521758 /nfs/dbraw/zinc/52/17/58/1440521758.db2.gz UTTDOEJXXMNDCJ-SJLPKXTDSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1=CCCCC1 ZINC001754007379 1440530941 /nfs/dbraw/zinc/53/09/41/1440530941.db2.gz LQPWRQILPBFXRW-HKUYNNGSSA-N 2 1 335.536 3.234 20 0 EGADMP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cs1 ZINC001754179095 1440547933 /nfs/dbraw/zinc/54/79/33/1440547933.db2.gz AIWZMZFCRVMIQW-OOFWQKGWSA-N 2 1 349.544 3.081 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CCCCC1 ZINC001754382649 1440593424 /nfs/dbraw/zinc/59/34/24/1440593424.db2.gz WNYBDLMLTQLSNU-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+]1CCC1=CCCCC1)CC(C)(C)C ZINC001754493924 1440611286 /nfs/dbraw/zinc/61/12/86/1440611286.db2.gz IAOAPWVWFQIZCL-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+]1CCC1=CCCCC1)CC(C)(C)C ZINC001754493924 1440611287 /nfs/dbraw/zinc/61/12/87/1440611287.db2.gz IAOAPWVWFQIZCL-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CC[N@H+]1CCC1=CCCCC1)CC(C)(C)C ZINC001754493924 1440611288 /nfs/dbraw/zinc/61/12/88/1440611288.db2.gz IAOAPWVWFQIZCL-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP CCCCCC[N@H+]1CCC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001754557152 1440632201 /nfs/dbraw/zinc/63/22/01/1440632201.db2.gz MZUPYYWDIWZNEY-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001754609688 1440643610 /nfs/dbraw/zinc/64/36/10/1440643610.db2.gz KWXVDUUPGXBPGV-OZHPBFKBSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001754679402 1440661416 /nfs/dbraw/zinc/66/14/16/1440661416.db2.gz QTVGNRCWEDGORC-QRMWTIMZSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001754679402 1440661417 /nfs/dbraw/zinc/66/14/17/1440661417.db2.gz QTVGNRCWEDGORC-QRMWTIMZSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001754679402 1440661418 /nfs/dbraw/zinc/66/14/18/1440661418.db2.gz QTVGNRCWEDGORC-QRMWTIMZSA-N 2 1 335.536 3.045 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001754697628 1440667328 /nfs/dbraw/zinc/66/73/28/1440667328.db2.gz RAFOGBVUIXVFEO-FPOVZHCZSA-N 2 1 347.547 3.189 20 0 EGADMP CCCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001754727763 1440677278 /nfs/dbraw/zinc/67/72/78/1440677278.db2.gz MRJWHIQIFONHQG-QUCCMNQESA-N 2 1 337.552 3.269 20 0 EGADMP CCCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001754727763 1440677279 /nfs/dbraw/zinc/67/72/79/1440677279.db2.gz MRJWHIQIFONHQG-QUCCMNQESA-N 2 1 337.552 3.269 20 0 EGADMP CCCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001754727763 1440677280 /nfs/dbraw/zinc/67/72/80/1440677280.db2.gz MRJWHIQIFONHQG-QUCCMNQESA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C2 ZINC001754833264 1440696241 /nfs/dbraw/zinc/69/62/41/1440696241.db2.gz RBOJOYIOBZQACG-REPLKXPHSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001754866968 1440703079 /nfs/dbraw/zinc/70/30/79/1440703079.db2.gz GEHMCILZXIJKJK-MOPGFXCFSA-N 2 1 349.563 3.362 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC(C)(C)C ZINC001754867833 1440703568 /nfs/dbraw/zinc/70/35/68/1440703568.db2.gz LJPMWQKNOCXJDS-QZTJIDSGSA-N 2 1 346.519 3.083 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC(C)(C)C ZINC001754867833 1440703569 /nfs/dbraw/zinc/70/35/69/1440703569.db2.gz LJPMWQKNOCXJDS-QZTJIDSGSA-N 2 1 346.519 3.083 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](CC[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001754940340 1440711702 /nfs/dbraw/zinc/71/17/02/1440711702.db2.gz NKGOYTZLWCZBFV-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001754951432 1440715020 /nfs/dbraw/zinc/71/50/20/1440715020.db2.gz SYZDPGQJCHWWQW-OXJNMPFZSA-N 2 1 345.531 3.341 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001754957745 1440716843 /nfs/dbraw/zinc/71/68/43/1440716843.db2.gz MTBXIJIYALMTNP-WGSAOQKQSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)c1ccccc1C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001754978649 1440720758 /nfs/dbraw/zinc/72/07/58/1440720758.db2.gz NHAHIZBNQDZQRV-LJQANCHMSA-N 2 1 343.515 3.033 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001755034568 1440733684 /nfs/dbraw/zinc/73/36/84/1440733684.db2.gz UASAZAPUFDFHTR-PMACEKPBSA-N 2 1 343.515 3.226 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001755034568 1440733685 /nfs/dbraw/zinc/73/36/85/1440733685.db2.gz UASAZAPUFDFHTR-PMACEKPBSA-N 2 1 343.515 3.226 20 0 EGADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001755043622 1440739067 /nfs/dbraw/zinc/73/90/67/1440739067.db2.gz AKNOZBOHBUCCBZ-IRXDYDNUSA-N 2 1 349.494 3.009 20 0 EGADMP C[C@@H](c1cccc(F)c1)[NH+](C)CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001755043622 1440739068 /nfs/dbraw/zinc/73/90/68/1440739068.db2.gz AKNOZBOHBUCCBZ-IRXDYDNUSA-N 2 1 349.494 3.009 20 0 EGADMP C[C@@H](c1cccc(F)c1)[NH+](C)CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001755043622 1440739069 /nfs/dbraw/zinc/73/90/69/1440739069.db2.gz AKNOZBOHBUCCBZ-IRXDYDNUSA-N 2 1 349.494 3.009 20 0 EGADMP CN(CCC[N@@H+](C)CCC1CCCC1)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001755045726 1440740861 /nfs/dbraw/zinc/74/08/61/1440740861.db2.gz GMDXRRHDKYNORO-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CCC[NH+](C)CCC1CCCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001755045726 1440740862 /nfs/dbraw/zinc/74/08/62/1440740862.db2.gz GMDXRRHDKYNORO-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CCC[NH+](C)CCC1CCCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001755045726 1440740863 /nfs/dbraw/zinc/74/08/63/1440740863.db2.gz GMDXRRHDKYNORO-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001755046001 1440741128 /nfs/dbraw/zinc/74/11/28/1440741128.db2.gz QEWROTQUOJLPDI-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001755046001 1440741129 /nfs/dbraw/zinc/74/11/29/1440741129.db2.gz QEWROTQUOJLPDI-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001755046001 1440741130 /nfs/dbraw/zinc/74/11/30/1440741130.db2.gz QEWROTQUOJLPDI-RBUKOAKNSA-N 2 1 337.552 3.220 20 0 EGADMP Cc1cccc(C[NH+](C)CCCN(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC001755048132 1440742499 /nfs/dbraw/zinc/74/24/99/1440742499.db2.gz WGPCNUJQQBJBFF-KDURUIRLSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)c1 ZINC001755048132 1440742500 /nfs/dbraw/zinc/74/25/00/1440742500.db2.gz WGPCNUJQQBJBFF-KDURUIRLSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1cccc(C[N@H+](C)CCCN(C)C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)c1 ZINC001755048132 1440742501 /nfs/dbraw/zinc/74/25/01/1440742501.db2.gz WGPCNUJQQBJBFF-KDURUIRLSA-N 2 1 345.531 3.148 20 0 EGADMP CCC1([NH2+]CCC(C)C)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001755071801 1440746858 /nfs/dbraw/zinc/74/68/58/1440746858.db2.gz GZXSCODNNXNUII-RTBURBONSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(CC)([NH2+]CC2CC(C)(C)C2)CC1 ZINC001755073437 1440747528 /nfs/dbraw/zinc/74/75/28/1440747528.db2.gz UFNPMKSAZYXKTO-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)CC1(C)C ZINC001755141410 1440760469 /nfs/dbraw/zinc/76/04/69/1440760469.db2.gz GDDBYOOVYFTUMH-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@H](C)C[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001755183972 1440772177 /nfs/dbraw/zinc/77/21/77/1440772177.db2.gz VCCYZOHHVVHFRV-PKOBYXMFSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C)C[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001755183972 1440772178 /nfs/dbraw/zinc/77/21/78/1440772178.db2.gz VCCYZOHHVVHFRV-PKOBYXMFSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C)C[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001755183972 1440772179 /nfs/dbraw/zinc/77/21/79/1440772179.db2.gz VCCYZOHHVVHFRV-PKOBYXMFSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001755204386 1440781723 /nfs/dbraw/zinc/78/17/23/1440781723.db2.gz JQHLBNSVPCQTGQ-OALUTQOASA-N 2 1 337.552 3.079 20 0 EGADMP CCCCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001755204386 1440781724 /nfs/dbraw/zinc/78/17/24/1440781724.db2.gz JQHLBNSVPCQTGQ-OALUTQOASA-N 2 1 337.552 3.079 20 0 EGADMP CCCCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001755204386 1440781725 /nfs/dbraw/zinc/78/17/25/1440781725.db2.gz JQHLBNSVPCQTGQ-OALUTQOASA-N 2 1 337.552 3.079 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH+](C)CC1CCCCC1 ZINC001755301383 1440808604 /nfs/dbraw/zinc/80/86/04/1440808604.db2.gz KTSVMOQXQCIWAQ-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@H+](C)CC1CCCCC1 ZINC001755301383 1440808605 /nfs/dbraw/zinc/80/86/05/1440808605.db2.gz KTSVMOQXQCIWAQ-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@@H+](C)CC1CCCCC1 ZINC001755301383 1440808606 /nfs/dbraw/zinc/80/86/06/1440808606.db2.gz KTSVMOQXQCIWAQ-XLIONFOSSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCC(C)(C)C ZINC001755302116 1440809258 /nfs/dbraw/zinc/80/92/58/1440809258.db2.gz ZHPSHCGNTOITII-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CCCC(C)(C)C ZINC001755302116 1440809259 /nfs/dbraw/zinc/80/92/59/1440809259.db2.gz ZHPSHCGNTOITII-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCCC(C)(C)C ZINC001755302116 1440809260 /nfs/dbraw/zinc/80/92/60/1440809260.db2.gz ZHPSHCGNTOITII-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[N@@H+](C)CCCC1CCCC1 ZINC001755306354 1440811213 /nfs/dbraw/zinc/81/12/13/1440811213.db2.gz JAWIXUPEJXPRMM-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[N@H+](C)CCC1CCCC1 ZINC001755320516 1440818119 /nfs/dbraw/zinc/81/81/19/1440818119.db2.gz RYOQKPPRRDBGNM-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[N@@H+](C)CCC1CCCC1 ZINC001755320516 1440818120 /nfs/dbraw/zinc/81/81/20/1440818120.db2.gz RYOQKPPRRDBGNM-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC1(C[NH2+]CCCC2CCC2)CCCCC1 ZINC001755355414 1440829230 /nfs/dbraw/zinc/82/92/30/1440829230.db2.gz FLCNXQYDNRYNJH-UHFFFAOYSA-N 2 1 346.519 3.181 20 0 EGADMP CCCC[C@@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001755357542 1440830291 /nfs/dbraw/zinc/83/02/91/1440830291.db2.gz GBIMWOTXIPVHQV-RBUKOAKNSA-N 2 1 349.494 3.075 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001755454276 1440854824 /nfs/dbraw/zinc/85/48/24/1440854824.db2.gz ZBGPLLHKNMHKBX-JQRVFGMCSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001755454276 1440854825 /nfs/dbraw/zinc/85/48/25/1440854825.db2.gz ZBGPLLHKNMHKBX-JQRVFGMCSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001755454276 1440854826 /nfs/dbraw/zinc/85/48/26/1440854826.db2.gz ZBGPLLHKNMHKBX-JQRVFGMCSA-N 2 1 347.547 3.044 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001755566916 1440876065 /nfs/dbraw/zinc/87/60/65/1440876065.db2.gz DFUGDLWGHHZHGI-XLIONFOSSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH2+]CC1=CCCCC1 ZINC001755590666 1440881443 /nfs/dbraw/zinc/88/14/43/1440881443.db2.gz PQYPLDJIESBLDT-YLJYHZDGSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)c1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001755603801 1440884866 /nfs/dbraw/zinc/88/48/66/1440884866.db2.gz ISGNWKJGZTYNME-MSOLQXFVSA-N 2 1 345.531 3.088 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1CC1CCC(C)(C)CC1 ZINC001755720347 1440906944 /nfs/dbraw/zinc/90/69/44/1440906944.db2.gz DUODFSIRXRJLMB-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC001755764471 1440915675 /nfs/dbraw/zinc/91/56/75/1440915675.db2.gz TZRGRBIHARALJW-ROUUACIJSA-N 2 1 337.552 3.122 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001755765114 1440915925 /nfs/dbraw/zinc/91/59/25/1440915925.db2.gz IUZAUMNPRQTBGH-YJBOKZPZSA-N 2 1 349.494 3.055 20 0 EGADMP CCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1(C)C ZINC001755774533 1440917051 /nfs/dbraw/zinc/91/70/51/1440917051.db2.gz MWYHOHQJNKCAKE-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001755843859 1440932593 /nfs/dbraw/zinc/93/25/93/1440932593.db2.gz XWOXJLOYHIHMSF-KEGWNNHHSA-N 2 1 335.536 3.044 20 0 EGADMP CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001755845799 1440933260 /nfs/dbraw/zinc/93/32/60/1440933260.db2.gz YWFFAQSHIXOMKX-YLJYHZDGSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)[NH+]1CCC([C@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001755848119 1440934038 /nfs/dbraw/zinc/93/40/38/1440934038.db2.gz DGKUYFHBONPJCC-INIZCTEOSA-N 2 1 337.552 3.265 20 0 EGADMP CCCCC[NH2+]C1CC(N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001755866018 1440937741 /nfs/dbraw/zinc/93/77/41/1440937741.db2.gz ZTQCQTHIBSKZNX-CTWPCTMYSA-N 2 1 331.504 3.059 20 0 EGADMP C[N@@H+](Cc1ccc(N2CCCC[C@@H]2C2CC[NH2+]CC2)nc1)C1CC1 ZINC001164419785 718892868 /nfs/dbraw/zinc/89/28/68/718892868.db2.gz RBKJAYNRRVERIJ-LJQANCHMSA-N 2 1 328.504 3.034 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3nn(C)cc32)CC[N@@H+]1Cc1ccccc1 ZINC000368444717 168356869 /nfs/dbraw/zinc/35/68/69/168356869.db2.gz DDNAWGOVPPECMU-POAQFYNOSA-N 2 1 338.499 3.440 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3nn(C)cc32)CC[N@H+]1Cc1ccccc1 ZINC000368444717 168356870 /nfs/dbraw/zinc/35/68/70/168356870.db2.gz DDNAWGOVPPECMU-POAQFYNOSA-N 2 1 338.499 3.440 20 0 EGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000368951108 168383873 /nfs/dbraw/zinc/38/38/73/168383873.db2.gz OYWMJOOQPXAXOB-UHFFFAOYSA-N 2 1 342.462 3.131 20 0 EGADMP CN1c2ccc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)cc2CCC1=O ZINC000187281317 529832346 /nfs/dbraw/zinc/83/23/46/529832346.db2.gz PTHRLEWXELVIFD-UHFFFAOYSA-N 2 1 341.499 3.092 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268835239 282301180 /nfs/dbraw/zinc/30/11/80/282301180.db2.gz DDGHEJMEPYSMGJ-TWOQFEAHSA-N 2 1 326.488 3.290 20 0 EGADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268835239 282301181 /nfs/dbraw/zinc/30/11/81/282301181.db2.gz DDGHEJMEPYSMGJ-TWOQFEAHSA-N 2 1 326.488 3.290 20 0 EGADMP C[N@@H+](CCCO)C1CC[NH+]([C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187297771 529893865 /nfs/dbraw/zinc/89/38/65/529893865.db2.gz UPBVIBMNZGZYIG-LEWJYISDSA-N 2 1 330.516 3.275 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000181163190 529999185 /nfs/dbraw/zinc/99/91/85/529999185.db2.gz IMVRDFSSWYOXHY-PMACEKPBSA-N 2 1 329.532 3.171 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000181163190 529999186 /nfs/dbraw/zinc/99/91/86/529999186.db2.gz IMVRDFSSWYOXHY-PMACEKPBSA-N 2 1 329.532 3.171 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000181163190 529999187 /nfs/dbraw/zinc/99/91/87/529999187.db2.gz IMVRDFSSWYOXHY-PMACEKPBSA-N 2 1 329.532 3.171 20 0 EGADMP Cc1nn(C)c(C)c1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103142847 219261655 /nfs/dbraw/zinc/26/16/55/219261655.db2.gz ZYCOGWCKELAWKD-UHFFFAOYSA-N 2 1 340.515 3.381 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000068354972 215301999 /nfs/dbraw/zinc/30/19/99/215301999.db2.gz IBEACNRJVJSCRS-FQEVSTJZSA-N 2 1 339.483 3.422 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000068354972 215302002 /nfs/dbraw/zinc/30/20/02/215302002.db2.gz IBEACNRJVJSCRS-FQEVSTJZSA-N 2 1 339.483 3.422 20 0 EGADMP C[NH+](C)CCCC1CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000179705826 233346769 /nfs/dbraw/zinc/34/67/69/233346769.db2.gz XICGMGLGJFZSAT-UHFFFAOYSA-N 2 1 340.309 3.398 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cnc(-c3ccco3)s2)C[C@H](C)O1 ZINC000193064555 240001972 /nfs/dbraw/zinc/00/19/72/240001972.db2.gz BIHAGXAPYVVOFD-GASCZTMLSA-N 2 1 349.500 3.382 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CCCCCC[NH3+])CC1 ZINC000262637253 245086569 /nfs/dbraw/zinc/08/65/69/245086569.db2.gz IFHKVSDKFQOVKI-UHFFFAOYSA-N 2 1 345.531 3.266 20 0 EGADMP C[C@@H](c1cccs1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184948788 296243070 /nfs/dbraw/zinc/24/30/70/296243070.db2.gz KXHLHAXWMRGBLL-RDJZCZTQSA-N 2 1 345.512 3.160 20 0 EGADMP C[C@@H](c1cccs1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184948788 296243071 /nfs/dbraw/zinc/24/30/71/296243071.db2.gz KXHLHAXWMRGBLL-RDJZCZTQSA-N 2 1 345.512 3.160 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000093006811 218184538 /nfs/dbraw/zinc/18/45/38/218184538.db2.gz CZSNXMWGUFSWFD-UHFFFAOYSA-N 2 1 328.456 3.116 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000268782939 252232913 /nfs/dbraw/zinc/23/29/13/252232913.db2.gz CSSJNFVSHOALIT-SNVBAGLBSA-N 2 1 326.213 3.444 20 0 EGADMP CCOCCOCc1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000268794521 252246508 /nfs/dbraw/zinc/24/65/08/252246508.db2.gz FLFCDGRDASKEGC-XLIONFOSSA-N 2 1 334.504 3.060 20 0 EGADMP COCC[C@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000337528198 285179479 /nfs/dbraw/zinc/17/94/79/285179479.db2.gz SROJDANNOSTURX-IEBWSBKVSA-N 2 1 338.536 3.205 20 0 EGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000269138738 255534824 /nfs/dbraw/zinc/53/48/24/255534824.db2.gz YJAKIWQVBSNVCV-UHFFFAOYSA-N 2 1 344.434 3.071 20 0 EGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000246334618 285310993 /nfs/dbraw/zinc/31/09/93/285310993.db2.gz GJWDZCWGXNQEIW-SLFFLAALSA-N 2 1 344.499 3.258 20 0 EGADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000328654693 258019189 /nfs/dbraw/zinc/01/91/89/258019189.db2.gz XRCDROWAVAOFOL-OALUTQOASA-N 2 1 346.519 3.120 20 0 EGADMP CSCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000164570131 533605885 /nfs/dbraw/zinc/60/58/85/533605885.db2.gz MVENRRFLNLEQHO-RHSMWYFYSA-N 2 1 335.517 3.080 20 0 EGADMP CC1(C)C[C@H](N[C@@H]2CC[NH+]3CCCC[C@@H]23)C[N@H+]1Cc1ccccc1 ZINC000677803945 549333976 /nfs/dbraw/zinc/33/39/76/549333976.db2.gz CBJJYZJESZWFME-ZCNNSNEGSA-N 2 1 327.516 3.256 20 0 EGADMP CC1(C)C[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[NH+]1Cc1ccccc1 ZINC000677803945 549333981 /nfs/dbraw/zinc/33/39/81/549333981.db2.gz CBJJYZJESZWFME-ZCNNSNEGSA-N 2 1 327.516 3.256 20 0 EGADMP CC1(C)C[C@H](N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[NH+]1Cc1ccccc1 ZINC000677803945 549333983 /nfs/dbraw/zinc/33/39/83/549333983.db2.gz CBJJYZJESZWFME-ZCNNSNEGSA-N 2 1 327.516 3.256 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000338052838 141082498 /nfs/dbraw/zinc/08/24/98/141082498.db2.gz INUVMZYHQLIMCJ-UHFFFAOYSA-N 2 1 343.515 3.086 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000346264228 141188239 /nfs/dbraw/zinc/18/82/39/141188239.db2.gz GTEZJHACOWOFFL-AWEZNQCLSA-N 2 1 328.391 3.351 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000346264228 141188240 /nfs/dbraw/zinc/18/82/40/141188240.db2.gz GTEZJHACOWOFFL-AWEZNQCLSA-N 2 1 328.391 3.351 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000351861475 144316974 /nfs/dbraw/zinc/31/69/74/144316974.db2.gz LPUVFGQYQKKCDC-WCQYABFASA-N 2 1 334.261 3.166 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000351861475 144316975 /nfs/dbraw/zinc/31/69/75/144316975.db2.gz LPUVFGQYQKKCDC-WCQYABFASA-N 2 1 334.261 3.166 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351864917 144317521 /nfs/dbraw/zinc/31/75/21/144317521.db2.gz ZSGFMTQEKCNYME-JZXOWHBKSA-N 2 1 337.467 3.350 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351864917 144317522 /nfs/dbraw/zinc/31/75/22/144317522.db2.gz ZSGFMTQEKCNYME-JZXOWHBKSA-N 2 1 337.467 3.350 20 0 EGADMP CC(C)(C)[NH+]1CCC(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192918635 153266228 /nfs/dbraw/zinc/26/62/28/153266228.db2.gz ZGPWLWWXTXONBS-IBGZPJMESA-N 2 1 329.532 3.361 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000192918635 153266230 /nfs/dbraw/zinc/26/62/30/153266230.db2.gz ZGPWLWWXTXONBS-IBGZPJMESA-N 3 1 329.532 3.361 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192918635 153266233 /nfs/dbraw/zinc/26/62/33/153266233.db2.gz ZGPWLWWXTXONBS-IBGZPJMESA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000263261024 153946963 /nfs/dbraw/zinc/94/69/63/153946963.db2.gz MJOFRGSCLJEZHD-KGEPEWOVSA-N 2 1 347.547 3.020 20 0 EGADMP COc1cc(C)c(C[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000337356486 154304135 /nfs/dbraw/zinc/30/41/35/154304135.db2.gz ARCMKBPNLORFEA-OAHLLOKOSA-N 2 1 332.488 3.160 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3OCc3ccccn3)C[C@H]21 ZINC000346851325 156164552 /nfs/dbraw/zinc/16/45/52/156164552.db2.gz VZVSKTKQJMWPLF-PWIZWCRZSA-N 2 1 337.467 3.220 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000347007559 156243273 /nfs/dbraw/zinc/24/32/73/156243273.db2.gz QTZBQDBFWWRFPP-DGCLKSJQSA-N 2 1 334.357 3.326 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000347007559 156243279 /nfs/dbraw/zinc/24/32/79/156243279.db2.gz QTZBQDBFWWRFPP-DGCLKSJQSA-N 2 1 334.357 3.326 20 0 EGADMP CN(CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347023126 156253015 /nfs/dbraw/zinc/25/30/15/156253015.db2.gz PPLFXENHUKIFSB-YOFSQIOKSA-N 2 1 329.532 3.359 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000348889141 156277481 /nfs/dbraw/zinc/27/74/81/156277481.db2.gz FOVACEVKQBXEDZ-ROUUACIJSA-N 2 1 345.531 3.060 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000348889141 156277483 /nfs/dbraw/zinc/27/74/83/156277483.db2.gz FOVACEVKQBXEDZ-ROUUACIJSA-N 2 1 345.531 3.060 20 0 EGADMP CCC(CC)(CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+][C@H](C)c1ccccc1 ZINC000349011535 156316587 /nfs/dbraw/zinc/31/65/87/156316587.db2.gz YQBSNKIHDZUDQE-SJLPKXTDSA-N 2 1 331.504 3.106 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccsc1Cl ZINC000349064789 156340612 /nfs/dbraw/zinc/34/06/12/156340612.db2.gz WRMXACWESQIBEA-HNNXBMFYSA-N 2 1 329.941 3.249 20 0 EGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)c2C1 ZINC000352633618 156390146 /nfs/dbraw/zinc/39/01/46/156390146.db2.gz QLVVBHXIIPOZLZ-IYBDPMFKSA-N 2 1 329.488 3.470 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000352651054 156399017 /nfs/dbraw/zinc/39/90/17/156399017.db2.gz DGPOTTWGGSXADY-HZPDHXFCSA-N 2 1 328.451 3.138 20 0 EGADMP COCCCOc1cccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000366949460 292366261 /nfs/dbraw/zinc/36/62/61/292366261.db2.gz BHAUXMGDOPUHNP-UHFFFAOYSA-N 2 1 346.515 3.410 20 0 EGADMP c1csc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683520 162022052 /nfs/dbraw/zinc/02/20/52/162022052.db2.gz FFRSOCZTLATCDZ-HNNXBMFYSA-N 2 1 330.501 3.446 20 0 EGADMP c1csc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683520 162022055 /nfs/dbraw/zinc/02/20/55/162022055.db2.gz FFRSOCZTLATCDZ-HNNXBMFYSA-N 2 1 330.501 3.446 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000114174863 162225039 /nfs/dbraw/zinc/22/50/39/162225039.db2.gz JPTXXKVUJKMCOI-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000114174863 162225041 /nfs/dbraw/zinc/22/50/41/162225041.db2.gz JPTXXKVUJKMCOI-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000125415380 162273652 /nfs/dbraw/zinc/27/36/52/162273652.db2.gz BMTBXUKGDAKKRS-HNNXBMFYSA-N 2 1 349.500 3.068 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000125415380 162273655 /nfs/dbraw/zinc/27/36/55/162273655.db2.gz BMTBXUKGDAKKRS-HNNXBMFYSA-N 2 1 349.500 3.068 20 0 EGADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC000248995633 163050545 /nfs/dbraw/zinc/05/05/45/163050545.db2.gz OXUBBIYHNBLJFJ-VZHSDHNVSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000248995633 163050546 /nfs/dbraw/zinc/05/05/46/163050546.db2.gz OXUBBIYHNBLJFJ-VZHSDHNVSA-N 2 1 327.516 3.254 20 0 EGADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000248995633 163050548 /nfs/dbraw/zinc/05/05/48/163050548.db2.gz OXUBBIYHNBLJFJ-VZHSDHNVSA-N 2 1 327.516 3.254 20 0 EGADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccsc1 ZINC000305166664 163075541 /nfs/dbraw/zinc/07/55/41/163075541.db2.gz YQUJOBGDXTYBJS-IBGZPJMESA-N 2 1 348.487 3.217 20 0 EGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCC(C)(C)C)CC2)CC1 ZINC000337193070 163157988 /nfs/dbraw/zinc/15/79/88/163157988.db2.gz UIMYBFQDQWUXTD-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CSc1ccccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343709173 164017830 /nfs/dbraw/zinc/01/78/30/164017830.db2.gz CVSQZVXMNQMBSB-MRXNPFEDSA-N 2 1 333.545 3.009 20 0 EGADMP C[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000165269362 287034748 /nfs/dbraw/zinc/03/47/48/287034748.db2.gz XKQLXKXNSWSTQM-ZWKOTPCHSA-N 2 1 333.520 3.010 20 0 EGADMP Cc1cc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)oc1C ZINC000343951066 164072097 /nfs/dbraw/zinc/07/20/97/164072097.db2.gz ZYJYPIFTHJCITG-HNNXBMFYSA-N 2 1 331.460 3.473 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C12CCC2 ZINC000344087081 164100266 /nfs/dbraw/zinc/10/02/66/164100266.db2.gz MIBKDMMGNCLFQX-VQTJNVASSA-N 2 1 328.500 3.372 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C12CCC2 ZINC000344087081 164100268 /nfs/dbraw/zinc/10/02/68/164100268.db2.gz MIBKDMMGNCLFQX-VQTJNVASSA-N 2 1 328.500 3.372 20 0 EGADMP CC[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)cn1 ZINC000344103492 164103087 /nfs/dbraw/zinc/10/30/87/164103087.db2.gz UIIGXCNDBOJBHL-QGZVFWFLSA-N 2 1 346.450 3.187 20 0 EGADMP CC[C@H](C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)[NH+](CC)CC ZINC000345760193 164260293 /nfs/dbraw/zinc/26/02/93/164260293.db2.gz CYUSGBFNAPNSKQ-LJQANCHMSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@@H](OCCC[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352245123 165306604 /nfs/dbraw/zinc/30/66/04/165306604.db2.gz CRYYZMJRSDALJI-OAHLLOKOSA-N 2 1 333.501 3.462 20 0 EGADMP C[C@H](OCCC[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352245122 165306861 /nfs/dbraw/zinc/30/68/61/165306861.db2.gz CRYYZMJRSDALJI-HNNXBMFYSA-N 2 1 333.501 3.462 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000355405444 166186699 /nfs/dbraw/zinc/18/66/99/166186699.db2.gz AIXZLAITMYNBCZ-IAGOWNOFSA-N 2 1 331.504 3.016 20 0 EGADMP COc1ccc(Oc2cc(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)ccn2)cc1 ZINC000360434181 167326985 /nfs/dbraw/zinc/32/69/85/167326985.db2.gz UADSVWQZKPYAEU-DNVCBOLYSA-N 2 1 341.455 3.312 20 0 EGADMP COc1ccc(Oc2cc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)ccn2)cc1 ZINC000360434181 167326988 /nfs/dbraw/zinc/32/69/88/167326988.db2.gz UADSVWQZKPYAEU-DNVCBOLYSA-N 2 1 341.455 3.312 20 0 EGADMP CCC[C@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365911363 168058840 /nfs/dbraw/zinc/05/88/40/168058840.db2.gz IHVDGSOSZFAZFW-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000366434104 168120856 /nfs/dbraw/zinc/12/08/56/168120856.db2.gz PJZVJUABHQAFSS-LEOMRAHMSA-N 2 1 330.472 3.298 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000246167227 287275359 /nfs/dbraw/zinc/27/53/59/287275359.db2.gz AVAFDVZXFMCIKM-NSISKUIASA-N 2 1 343.515 3.195 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000163969501 226034850 /nfs/dbraw/zinc/03/48/50/226034850.db2.gz OZZGCGKUYLXBBK-GCKMJXCFSA-N 2 1 340.515 3.367 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000163969501 226034853 /nfs/dbraw/zinc/03/48/53/226034853.db2.gz OZZGCGKUYLXBBK-GCKMJXCFSA-N 2 1 340.515 3.367 20 0 EGADMP COc1cc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc(OC)c1OC ZINC000164631112 226089041 /nfs/dbraw/zinc/08/90/41/226089041.db2.gz VGYDVVXQHKTCFW-AWEZNQCLSA-N 2 1 347.459 3.348 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1[C@H]3CCO[C@H]3C13CCCC3)C2 ZINC000193957118 266077781 /nfs/dbraw/zinc/07/77/81/266077781.db2.gz PTDOHJYGJXIECD-QHAWAJNXSA-N 2 1 340.511 3.372 20 0 EGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1[C@H]3CCO[C@H]3C13CCCC3)C2 ZINC000193957118 266077785 /nfs/dbraw/zinc/07/77/85/266077785.db2.gz PTDOHJYGJXIECD-QHAWAJNXSA-N 2 1 340.511 3.372 20 0 EGADMP c1sc2ccccc2c1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000194513135 266123175 /nfs/dbraw/zinc/12/31/75/266123175.db2.gz WGQCZSGVCPULDR-UHFFFAOYSA-N 2 1 329.513 3.115 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[N@H+]1C ZINC000230975524 266205832 /nfs/dbraw/zinc/20/58/32/266205832.db2.gz ZLTUMOJZTDZEFX-GJZGRUSLSA-N 2 1 327.513 3.094 20 0 EGADMP CCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236759839 266213618 /nfs/dbraw/zinc/21/36/18/266213618.db2.gz LOZNMJPMSIEZSE-UHOSZYNNSA-N 2 1 331.504 3.015 20 0 EGADMP Cc1nc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cs1 ZINC000269414129 266289980 /nfs/dbraw/zinc/28/99/80/266289980.db2.gz JWDMTFUCPUMKFT-CQSZACIVSA-N 2 1 345.512 3.259 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000269690460 266343080 /nfs/dbraw/zinc/34/30/80/266343080.db2.gz HXKLCJGOOBTPIC-KRWDZBQOSA-N 2 1 327.428 3.190 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000269690460 266343083 /nfs/dbraw/zinc/34/30/83/266343083.db2.gz HXKLCJGOOBTPIC-KRWDZBQOSA-N 2 1 327.428 3.190 20 0 EGADMP C[C@H]1C[C@@H](CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000273284392 267012462 /nfs/dbraw/zinc/01/24/62/267012462.db2.gz QZMPOWBRXAIHAU-ICSRJNTNSA-N 2 1 330.516 3.488 20 0 EGADMP CCOC(CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)OCC ZINC000276530607 267568070 /nfs/dbraw/zinc/56/80/70/267568070.db2.gz NPLXJLSCXUPTKZ-HKUYNNGSSA-N 2 1 334.504 3.418 20 0 EGADMP CCOC(CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OCC ZINC000276530607 267568073 /nfs/dbraw/zinc/56/80/73/267568073.db2.gz NPLXJLSCXUPTKZ-HKUYNNGSSA-N 2 1 334.504 3.418 20 0 EGADMP COC1(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CCOCC1 ZINC000277021803 267678564 /nfs/dbraw/zinc/67/85/64/267678564.db2.gz MZUUOGFMTQOROY-SFHVURJKSA-N 2 1 346.515 3.346 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3ccc(F)cc32)CCCO1 ZINC000278530782 268033849 /nfs/dbraw/zinc/03/38/49/268033849.db2.gz NLHUFXABDKYSEL-YJBOKZPZSA-N 2 1 336.451 3.130 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCOc3ccc(F)cc32)CCCO1 ZINC000278530782 268033851 /nfs/dbraw/zinc/03/38/51/268033851.db2.gz NLHUFXABDKYSEL-YJBOKZPZSA-N 2 1 336.451 3.130 20 0 EGADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CCC2 ZINC000278562274 268039532 /nfs/dbraw/zinc/03/95/32/268039532.db2.gz PDIIBUDVZBFAOA-OXQOHEQNSA-N 2 1 332.488 3.163 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N(C)CC[NH+](C)C1CCCCC1)c1ccccc1 ZINC000110964228 275181851 /nfs/dbraw/zinc/18/18/51/275181851.db2.gz DAINYNKQYGAIIH-FQEVSTJZSA-N 2 1 345.531 3.402 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000110964228 275181852 /nfs/dbraw/zinc/18/18/52/275181852.db2.gz DAINYNKQYGAIIH-FQEVSTJZSA-N 2 1 345.531 3.402 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000110964228 275181853 /nfs/dbraw/zinc/18/18/53/275181853.db2.gz DAINYNKQYGAIIH-FQEVSTJZSA-N 2 1 345.531 3.402 20 0 EGADMP O[C@H]1c2ccccc2C[C@@H]1[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278920709 275287813 /nfs/dbraw/zinc/28/78/13/275287813.db2.gz ROPNVHHWPYYTIE-PMACEKPBSA-N 2 1 337.467 3.057 20 0 EGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000279743139 275355453 /nfs/dbraw/zinc/35/54/53/275355453.db2.gz PFMWXZZXVUDWDT-YWZLYKJASA-N 2 1 336.439 3.442 20 0 EGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000279928181 275377139 /nfs/dbraw/zinc/37/71/39/275377139.db2.gz MYUSDNABFWJMHQ-PMPSAXMXSA-N 2 1 332.488 3.270 20 0 EGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000282769620 275669046 /nfs/dbraw/zinc/66/90/46/275669046.db2.gz WSCYXWWTOZBUSN-INIZCTEOSA-N 2 1 341.503 3.238 20 0 EGADMP COc1ccccc1O[C@@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000286502300 276009012 /nfs/dbraw/zinc/00/90/12/276009012.db2.gz PTXOLKUQPHLGEC-ZWKOTPCHSA-N 2 1 332.488 3.413 20 0 EGADMP COc1ccccc1O[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000286502300 276009015 /nfs/dbraw/zinc/00/90/15/276009015.db2.gz PTXOLKUQPHLGEC-ZWKOTPCHSA-N 2 1 332.488 3.413 20 0 EGADMP COc1ccccc1O[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000286502300 276009016 /nfs/dbraw/zinc/00/90/16/276009016.db2.gz PTXOLKUQPHLGEC-ZWKOTPCHSA-N 2 1 332.488 3.413 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000287106307 276084602 /nfs/dbraw/zinc/08/46/02/276084602.db2.gz QHQTZJKWOCUHMB-OVQGTLEDSA-N 2 1 347.547 3.395 20 0 EGADMP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000287106307 276084603 /nfs/dbraw/zinc/08/46/03/276084603.db2.gz QHQTZJKWOCUHMB-OVQGTLEDSA-N 2 1 347.547 3.395 20 0 EGADMP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000287106307 276084605 /nfs/dbraw/zinc/08/46/05/276084605.db2.gz QHQTZJKWOCUHMB-OVQGTLEDSA-N 2 1 347.547 3.395 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000352653295 276109132 /nfs/dbraw/zinc/10/91/32/276109132.db2.gz WFWVKCZISLTEEI-SJORKVTESA-N 2 1 345.487 3.008 20 0 EGADMP Cc1nnc(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000289685896 276378282 /nfs/dbraw/zinc/37/82/82/276378282.db2.gz HZLGLLQDGMUDFK-UHFFFAOYSA-N 2 1 344.528 3.422 20 0 EGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1nccc2ccccc21 ZINC000289745193 276387183 /nfs/dbraw/zinc/38/71/83/276387183.db2.gz MFXYJUAEDCRYHK-KRWDZBQOSA-N 2 1 340.515 3.159 20 0 EGADMP C[N@H+](Cc1ccc(OC(F)F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289792113 276395277 /nfs/dbraw/zinc/39/52/77/276395277.db2.gz SCFMGTLHKOZTFF-PBWFPOADSA-N 2 1 328.378 3.484 20 0 EGADMP C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289792113 276395278 /nfs/dbraw/zinc/39/52/78/276395278.db2.gz SCFMGTLHKOZTFF-PBWFPOADSA-N 2 1 328.378 3.484 20 0 EGADMP C[NH+](Cc1ccc(OC(F)F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289792113 276395279 /nfs/dbraw/zinc/39/52/79/276395279.db2.gz SCFMGTLHKOZTFF-PBWFPOADSA-N 2 1 328.378 3.484 20 0 EGADMP C[NH+](Cc1ccc(OC(F)F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289792113 276395280 /nfs/dbraw/zinc/39/52/80/276395280.db2.gz SCFMGTLHKOZTFF-PBWFPOADSA-N 2 1 328.378 3.484 20 0 EGADMP C[C@@H](O)c1ncc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000290337061 276481919 /nfs/dbraw/zinc/48/19/19/276481919.db2.gz KVBYPNXDUBQJKA-CQSZACIVSA-N 2 1 331.485 3.082 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)C[C@H]1c1ccccc1 ZINC000340306546 277173049 /nfs/dbraw/zinc/17/30/49/277173049.db2.gz HQDFXUBUPKSEIJ-ZGXWSNOMSA-N 2 1 346.540 3.466 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)C[C@H]1c1ccccc1 ZINC000340306546 277173050 /nfs/dbraw/zinc/17/30/50/277173050.db2.gz HQDFXUBUPKSEIJ-ZGXWSNOMSA-N 2 1 346.540 3.466 20 0 EGADMP CC(C)n1nccc1[C@@H]1OCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000344250240 278152677 /nfs/dbraw/zinc/15/26/77/278152677.db2.gz HWBRQRAGDTWDSO-FUHWJXTLSA-N 2 1 334.508 3.147 20 0 EGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000119944061 278257814 /nfs/dbraw/zinc/25/78/14/278257814.db2.gz QEVQXANDZBTQRH-HOTGVXAUSA-N 2 1 338.517 3.005 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000119944061 278257817 /nfs/dbraw/zinc/25/78/17/278257817.db2.gz QEVQXANDZBTQRH-HOTGVXAUSA-N 2 1 338.517 3.005 20 0 EGADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000357111422 279137177 /nfs/dbraw/zinc/13/71/77/279137177.db2.gz NUCYITKQUMZVOX-KSZLIROESA-N 2 1 345.531 3.406 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000338004115 279235296 /nfs/dbraw/zinc/23/52/96/279235296.db2.gz WXZSINRWOXCOJV-QGZVFWFLSA-N 2 1 343.515 3.275 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000338004115 279235301 /nfs/dbraw/zinc/23/53/01/279235301.db2.gz WXZSINRWOXCOJV-QGZVFWFLSA-N 2 1 343.515 3.275 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000338004115 279235305 /nfs/dbraw/zinc/23/53/05/279235305.db2.gz WXZSINRWOXCOJV-QGZVFWFLSA-N 2 1 343.515 3.275 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000347810608 280172259 /nfs/dbraw/zinc/17/22/59/280172259.db2.gz BARDOJIFTIZVAO-UYAOXDASSA-N 2 1 345.531 3.134 20 0 EGADMP Cc1ccc2[nH+]ccc(N3CC[N@H+](C4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000354575358 281169768 /nfs/dbraw/zinc/16/97/68/281169768.db2.gz MBYVDKXUVAEHRU-KRWDZBQOSA-N 2 1 338.499 3.148 20 0 EGADMP Cc1ccc2[nH+]ccc(N3CC[N@@H+](C4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000354575358 281169769 /nfs/dbraw/zinc/16/97/69/281169769.db2.gz MBYVDKXUVAEHRU-KRWDZBQOSA-N 2 1 338.499 3.148 20 0 EGADMP C[C@H](C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+]1CCCCCC1 ZINC000345005895 289277910 /nfs/dbraw/zinc/27/79/10/289277910.db2.gz SOTBYBCWTZIYFF-HCXYKTFWSA-N 2 1 335.536 3.115 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@H]21 ZINC000367625242 290216449 /nfs/dbraw/zinc/21/64/49/290216449.db2.gz XLHCVMUNXABDJB-OKZBNKHCSA-N 2 1 349.519 3.016 20 0 EGADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)ccc1OC(F)F ZINC000414854579 309105830 /nfs/dbraw/zinc/10/58/30/309105830.db2.gz VFGXYKRLZWXPAH-AWEZNQCLSA-N 2 1 328.403 3.294 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@@H](O)C(C)C ZINC000414295315 309071119 /nfs/dbraw/zinc/07/11/19/309071119.db2.gz NPLDNQXXDFCZBV-IFLJBQAJSA-N 2 1 330.516 3.282 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000414373790 309076064 /nfs/dbraw/zinc/07/60/64/309076064.db2.gz ZXGZJOFGDIWRGT-MSOLQXFVSA-N 2 1 330.451 3.282 20 0 EGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000248214930 308000310 /nfs/dbraw/zinc/00/03/10/308000310.db2.gz ZLJPRTUGVRATAV-HOCLYGCPSA-N 2 1 339.549 3.462 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000248405288 308001963 /nfs/dbraw/zinc/00/19/63/308001963.db2.gz RDHMZISFDGEVKW-GXRSIYKFSA-N 3 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248405288 308001965 /nfs/dbraw/zinc/00/19/65/308001965.db2.gz RDHMZISFDGEVKW-GXRSIYKFSA-N 3 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248405288 308001967 /nfs/dbraw/zinc/00/19/67/308001967.db2.gz RDHMZISFDGEVKW-GXRSIYKFSA-N 3 1 341.543 3.219 20 0 EGADMP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000248405288 308001969 /nfs/dbraw/zinc/00/19/69/308001969.db2.gz RDHMZISFDGEVKW-GXRSIYKFSA-N 2 1 341.543 3.219 20 0 EGADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000248405288 308001971 /nfs/dbraw/zinc/00/19/71/308001971.db2.gz RDHMZISFDGEVKW-GXRSIYKFSA-N 2 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248405288 308001973 /nfs/dbraw/zinc/00/19/73/308001973.db2.gz RDHMZISFDGEVKW-GXRSIYKFSA-N 2 1 341.543 3.219 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248405288 308001975 /nfs/dbraw/zinc/00/19/75/308001975.db2.gz RDHMZISFDGEVKW-GXRSIYKFSA-N 2 1 341.543 3.219 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248556366 308005562 /nfs/dbraw/zinc/00/55/62/308005562.db2.gz IIENNQMFVKKVDF-MTHXSQLBSA-N 2 1 349.563 3.122 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248556366 308005564 /nfs/dbraw/zinc/00/55/64/308005564.db2.gz IIENNQMFVKKVDF-MTHXSQLBSA-N 2 1 349.563 3.122 20 0 EGADMP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)OC(C)C ZINC000248651081 308008588 /nfs/dbraw/zinc/00/85/88/308008588.db2.gz XGECIARYQNGERZ-QXOCSCLMSA-N 2 1 334.504 3.480 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2cc(C)ccc2C)[C@@H](C)C1 ZINC000248865302 308013656 /nfs/dbraw/zinc/01/36/56/308013656.db2.gz AUQTYFFWPZAYAV-VQTJNVASSA-N 2 1 348.531 3.409 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000249087703 308018705 /nfs/dbraw/zinc/01/87/05/308018705.db2.gz GCDAHWRRHKDJMY-LEWJYISDSA-N 2 1 329.532 3.015 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)c1 ZINC000292897036 308077568 /nfs/dbraw/zinc/07/75/68/308077568.db2.gz GFZAONNFTQNZHV-PXNSSMCTSA-N 2 1 329.488 3.048 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)s2)cn1 ZINC000293782445 308161388 /nfs/dbraw/zinc/16/13/88/308161388.db2.gz ZGVDAHSDSFMETJ-GOSISDBHSA-N 2 1 330.501 3.066 20 0 EGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)s2)cn1 ZINC000293782445 308161390 /nfs/dbraw/zinc/16/13/90/308161390.db2.gz ZGVDAHSDSFMETJ-GOSISDBHSA-N 2 1 330.501 3.066 20 0 EGADMP Cn1cc(-c2ccc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)s2)cn1 ZINC000293782445 308161392 /nfs/dbraw/zinc/16/13/92/308161392.db2.gz ZGVDAHSDSFMETJ-GOSISDBHSA-N 2 1 330.501 3.066 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)C1 ZINC000293799049 308162904 /nfs/dbraw/zinc/16/29/04/308162904.db2.gz RCWLUBSAZQDTOU-IRXDYDNUSA-N 2 1 345.487 3.416 20 0 EGADMP O[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000293927598 308175009 /nfs/dbraw/zinc/17/50/09/308175009.db2.gz YMYZDIBTMDKBAG-QXAKKESOSA-N 2 1 340.467 3.415 20 0 EGADMP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000293927598 308175010 /nfs/dbraw/zinc/17/50/10/308175010.db2.gz YMYZDIBTMDKBAG-QXAKKESOSA-N 2 1 340.467 3.415 20 0 EGADMP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000293927598 308175011 /nfs/dbraw/zinc/17/50/11/308175011.db2.gz YMYZDIBTMDKBAG-QXAKKESOSA-N 2 1 340.467 3.415 20 0 EGADMP CCc1ccc2[nH+]ccc(N[C@H](C)CCN3CC[NH+](C)CC3)c2c1 ZINC000295135691 308295626 /nfs/dbraw/zinc/29/56/26/308295626.db2.gz YSXYCPSVHWVZHS-MRXNPFEDSA-N 2 1 326.488 3.235 20 0 EGADMP c1nc(CCN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cs1 ZINC000295370299 308319551 /nfs/dbraw/zinc/31/95/51/308319551.db2.gz SHYRRIDMJQFICI-LJQANCHMSA-N 2 1 327.497 3.284 20 0 EGADMP c1nc(CC[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cs1 ZINC000295370299 308319552 /nfs/dbraw/zinc/31/95/52/308319552.db2.gz SHYRRIDMJQFICI-LJQANCHMSA-N 2 1 327.497 3.284 20 0 EGADMP c1nc(CC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cs1 ZINC000295370299 308319553 /nfs/dbraw/zinc/31/95/53/308319553.db2.gz SHYRRIDMJQFICI-LJQANCHMSA-N 2 1 327.497 3.284 20 0 EGADMP c1nc(CC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cs1 ZINC000295370299 308319554 /nfs/dbraw/zinc/31/95/54/308319554.db2.gz SHYRRIDMJQFICI-LJQANCHMSA-N 2 1 327.497 3.284 20 0 EGADMP c1nc(CC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cs1 ZINC000295370299 308319555 /nfs/dbraw/zinc/31/95/55/308319555.db2.gz SHYRRIDMJQFICI-LJQANCHMSA-N 2 1 327.497 3.284 20 0 EGADMP CCCCCOc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1OC ZINC000414663164 309094386 /nfs/dbraw/zinc/09/43/86/309094386.db2.gz AXIFJHMOFCZWLX-BZSNNMDCSA-N 2 1 332.488 3.433 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)N1CCC[NH2+]CC1)C1CCCCC1 ZINC000414718719 309097204 /nfs/dbraw/zinc/09/72/04/309097204.db2.gz WQFDQORDULAHNE-UHFFFAOYSA-N 2 1 344.503 3.278 20 0 EGADMP CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414695707 309095783 /nfs/dbraw/zinc/09/57/83/309095783.db2.gz OMBUDNPAMUMLMN-LSDHHAIUSA-N 2 1 337.895 3.379 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000414772813 309099992 /nfs/dbraw/zinc/09/99/92/309099992.db2.gz CNLOPFUTYYMMCU-KBPBESRZSA-N 2 1 340.414 3.118 20 0 EGADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000414738091 309098125 /nfs/dbraw/zinc/09/81/25/309098125.db2.gz OGJYMWKVYWCOKY-SJDASUONSA-N 2 1 334.463 3.430 20 0 EGADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000414738091 309098126 /nfs/dbraw/zinc/09/81/26/309098126.db2.gz OGJYMWKVYWCOKY-SJDASUONSA-N 2 1 334.463 3.430 20 0 EGADMP C[C@@H]1C[C@H](C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC[NH2+]1 ZINC000414752660 309098804 /nfs/dbraw/zinc/09/88/04/309098804.db2.gz LAEBKLSWJJAYSH-TZIWHRDSSA-N 3 1 341.543 3.363 20 0 EGADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OCC ZINC000414779861 309100570 /nfs/dbraw/zinc/10/05/70/309100570.db2.gz KSFJJURLLFIIHF-ZWKOTPCHSA-N 2 1 332.488 3.306 20 0 EGADMP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414779601 309100608 /nfs/dbraw/zinc/10/06/08/309100608.db2.gz KMXFLWLXCKJOJH-JKSUJKDBSA-N 2 1 342.405 3.449 20 0 EGADMP Fc1ccc(Br)cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414781109 309100655 /nfs/dbraw/zinc/10/06/55/309100655.db2.gz MNIMZPSSZAKYFT-STQMWFEESA-N 2 1 341.268 3.410 20 0 EGADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000414780813 309100676 /nfs/dbraw/zinc/10/06/76/309100676.db2.gz LYQFGIZYRXMZHE-ZCNNSNEGSA-N 2 1 328.500 3.184 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000414787986 309101260 /nfs/dbraw/zinc/10/12/60/309101260.db2.gz MGNXDEOPMSJKBJ-CVEARBPZSA-N 2 1 346.368 3.173 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414788940 309101307 /nfs/dbraw/zinc/10/13/07/309101307.db2.gz XNGQDJROQQWDRW-RBUKOAKNSA-N 2 1 338.499 3.311 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2OC2CCCC2)CC12CCOCC2 ZINC000414792383 309101665 /nfs/dbraw/zinc/10/16/65/309101665.db2.gz RWTLPPFYQPKSJV-GOSISDBHSA-N 2 1 344.499 3.195 20 0 EGADMP CCCCCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414797842 309102179 /nfs/dbraw/zinc/10/21/79/309102179.db2.gz YXENWPGTGHQSNR-LJQANCHMSA-N 2 1 346.515 3.443 20 0 EGADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414815894 309103343 /nfs/dbraw/zinc/10/33/43/309103343.db2.gz YTQPMUIUQLYYDB-UHFFFAOYSA-N 2 1 340.393 3.498 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000414817978 309103566 /nfs/dbraw/zinc/10/35/66/309103566.db2.gz ULHJZLMNLBXBLU-HIFRSBDPSA-N 2 1 325.884 3.473 20 0 EGADMP C[C@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C)[C@@H]1CCC[NH2+]C1 ZINC000414862949 309106182 /nfs/dbraw/zinc/10/61/82/309106182.db2.gz XSUWANKPOUMXQW-NWDGAFQWSA-N 2 1 340.393 3.070 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)ccc1OCC(F)(F)F ZINC000414943730 309110643 /nfs/dbraw/zinc/11/06/43/309110643.db2.gz FTJSKZODQVCUIC-OCCSQVGLSA-N 2 1 346.393 3.257 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000414998609 309113428 /nfs/dbraw/zinc/11/34/28/309113428.db2.gz IIFHHNNFNQEERV-JRSUCEMESA-N 3 1 327.516 3.004 20 0 EGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000414998505 309113508 /nfs/dbraw/zinc/11/35/08/309113508.db2.gz QVPDWKVBBNZBEI-VISWBVPDSA-N 3 1 339.527 3.003 20 0 EGADMP Cc1cc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)sc1Br ZINC000415012451 309114252 /nfs/dbraw/zinc/11/42/52/309114252.db2.gz XHAFKDWXCJBFCA-VIFPVBQESA-N 2 1 339.249 3.153 20 0 EGADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415016762 309114625 /nfs/dbraw/zinc/11/46/25/309114625.db2.gz OSPASGIXPFMUFV-SFYZADRCSA-N 2 1 341.171 3.173 20 0 EGADMP c1cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc(OCC2CCCCC2)c1 ZINC000415037032 309115707 /nfs/dbraw/zinc/11/57/07/309115707.db2.gz KVWBPGUOQOTOCJ-FQEVSTJZSA-N 2 1 332.488 3.114 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415059132 309117471 /nfs/dbraw/zinc/11/74/71/309117471.db2.gz WSHZTZFXYUEWFA-OXJNMPFZSA-N 2 1 342.462 3.284 20 0 EGADMP COc1cccc(C([NH2+]C[C@H]2CCC[NH2+]C2)c2cccc(OC)c2)c1 ZINC000415085435 309119436 /nfs/dbraw/zinc/11/94/36/309119436.db2.gz QOOKZMBHMPYJEW-INIZCTEOSA-N 2 1 340.467 3.382 20 0 EGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC000415098956 309120175 /nfs/dbraw/zinc/12/01/75/309120175.db2.gz GEPGLTCKEWVLJJ-GGPKGHCWSA-N 2 1 338.451 3.082 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)CC[NH2+]1 ZINC000415112853 309121186 /nfs/dbraw/zinc/12/11/86/309121186.db2.gz RBDMKIQDPJGIRN-KFWWJZLASA-N 2 1 334.426 3.056 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3c(F)cccc3Cl)CC2)C1 ZINC000415118463 309121558 /nfs/dbraw/zinc/12/15/58/309121558.db2.gz DHIVJWMWIKVXQY-CXAGYDPISA-N 2 1 326.843 3.197 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000415125396 309122220 /nfs/dbraw/zinc/12/22/20/309122220.db2.gz LDGYCTCUBWUVGX-TZMCWYRMSA-N 2 1 346.393 3.053 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)n(C)n1 ZINC000417871836 309226071 /nfs/dbraw/zinc/22/60/71/309226071.db2.gz MPUSIMWJIUBVRZ-KRWDZBQOSA-N 2 1 326.488 3.393 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)n(C)n1 ZINC000417871836 309226072 /nfs/dbraw/zinc/22/60/72/309226072.db2.gz MPUSIMWJIUBVRZ-KRWDZBQOSA-N 2 1 326.488 3.393 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)n(C)n1 ZINC000417876925 309226422 /nfs/dbraw/zinc/22/64/22/309226422.db2.gz RETBYOYWKVTACK-IRXDYDNUSA-N 2 1 340.515 3.496 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)n(C)n1 ZINC000417883230 309226775 /nfs/dbraw/zinc/22/67/75/309226775.db2.gz VTTNRLKZARFNTF-MRXNPFEDSA-N 2 1 326.488 3.250 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n(C)n1 ZINC000417883230 309226776 /nfs/dbraw/zinc/22/67/76/309226776.db2.gz VTTNRLKZARFNTF-MRXNPFEDSA-N 2 1 326.488 3.250 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3COC(C)(C)C3)CC2)cs1 ZINC000417931150 309228737 /nfs/dbraw/zinc/22/87/37/309228737.db2.gz PKFZDVCZFFSIHU-HNNXBMFYSA-N 2 1 337.533 3.075 20 0 EGADMP Cc1noc(CCC[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000420308373 309280846 /nfs/dbraw/zinc/28/08/46/309280846.db2.gz JXGHECDIKOGCLM-INIZCTEOSA-N 2 1 346.500 3.016 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CC[C@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314546 309281384 /nfs/dbraw/zinc/28/13/84/309281384.db2.gz KIVBSZMDTWYTCN-IRLDBZIGSA-N 3 1 341.543 3.364 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CC[C@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314546 309281385 /nfs/dbraw/zinc/28/13/85/309281385.db2.gz KIVBSZMDTWYTCN-IRLDBZIGSA-N 3 1 341.543 3.364 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CC[C@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314546 309281386 /nfs/dbraw/zinc/28/13/86/309281386.db2.gz KIVBSZMDTWYTCN-IRLDBZIGSA-N 3 1 341.543 3.364 20 0 EGADMP c1ccc(CN2CCC[C@@]3(CC[N@@H+](CC[C@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314546 309281387 /nfs/dbraw/zinc/28/13/87/309281387.db2.gz KIVBSZMDTWYTCN-IRLDBZIGSA-N 2 1 341.543 3.364 20 0 EGADMP c1ccc(CN2CCC[C@@]3(CC[N@H+](CC[C@H]4CCC[NH2+]C4)C3)C2)cc1 ZINC000420314546 309281388 /nfs/dbraw/zinc/28/13/88/309281388.db2.gz KIVBSZMDTWYTCN-IRLDBZIGSA-N 2 1 341.543 3.364 20 0 EGADMP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420322006 309282014 /nfs/dbraw/zinc/28/20/14/309282014.db2.gz DPRRSRKGNYAGHI-HRCADAONSA-N 2 1 347.528 3.057 20 0 EGADMP C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321227 309282017 /nfs/dbraw/zinc/28/20/17/309282017.db2.gz CNZLNWIBAPQNGP-NJAFHUGGSA-N 2 1 340.471 3.043 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000420327385 309282322 /nfs/dbraw/zinc/28/23/22/309282322.db2.gz YQNGMBHFBVFUCT-UFYCRDLUSA-N 2 1 344.886 3.408 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000420327385 309282323 /nfs/dbraw/zinc/28/23/23/309282323.db2.gz YQNGMBHFBVFUCT-UFYCRDLUSA-N 2 1 344.886 3.408 20 0 EGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000420360684 309284034 /nfs/dbraw/zinc/28/40/34/309284034.db2.gz LIPCXXDTOPYBSO-LJQANCHMSA-N 2 1 349.563 3.458 20 0 EGADMP [NH3+]C[C@H]([NH2+]CCOc1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC000420362203 309284246 /nfs/dbraw/zinc/28/42/46/309284246.db2.gz IMWNCIMMJIUUSC-INIZCTEOSA-N 2 1 346.393 3.461 20 0 EGADMP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420372294 309284799 /nfs/dbraw/zinc/28/47/99/309284799.db2.gz DZBRJFWNVXWVRN-UKPHBRMFSA-N 2 1 335.492 3.251 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420400181 309286439 /nfs/dbraw/zinc/28/64/39/309286439.db2.gz IJKQCZWHCWLCPZ-STQMWFEESA-N 2 1 332.469 3.105 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420400181 309286440 /nfs/dbraw/zinc/28/64/40/309286440.db2.gz IJKQCZWHCWLCPZ-STQMWFEESA-N 2 1 332.469 3.105 20 0 EGADMP CCC[C@@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(F)cc1F ZINC000420416842 309287019 /nfs/dbraw/zinc/28/70/19/309287019.db2.gz VYHLRELRVQQPLE-ZCNNSNEGSA-N 2 1 348.437 3.327 20 0 EGADMP CCCO[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420916298 309301018 /nfs/dbraw/zinc/30/10/18/309301018.db2.gz OGMDXZHKQQZGTC-OAQYLSRUSA-N 2 1 346.515 3.300 20 0 EGADMP CCCO[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420916298 309301019 /nfs/dbraw/zinc/30/10/19/309301019.db2.gz OGMDXZHKQQZGTC-OAQYLSRUSA-N 2 1 346.515 3.300 20 0 EGADMP CCCCOC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420919655 309301108 /nfs/dbraw/zinc/30/11/08/309301108.db2.gz ZUZSMBXGVCLYNP-UHFFFAOYSA-N 2 1 346.515 3.300 20 0 EGADMP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420964657 309304689 /nfs/dbraw/zinc/30/46/89/309304689.db2.gz NZAUFODBLCOPLD-PBHICJAKSA-N 2 1 342.405 3.292 20 0 EGADMP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420964657 309304690 /nfs/dbraw/zinc/30/46/90/309304690.db2.gz NZAUFODBLCOPLD-PBHICJAKSA-N 2 1 342.405 3.292 20 0 EGADMP CCc1ccccc1CC[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420984355 309305967 /nfs/dbraw/zinc/30/59/67/309305967.db2.gz SPVCVNVAERHDMU-UHFFFAOYSA-N 2 1 343.559 3.284 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C[C@H]1C[NH3+] ZINC000422631148 309362917 /nfs/dbraw/zinc/36/29/17/309362917.db2.gz FBUYXVUWRVOQHI-MBOZVWFJSA-N 2 1 343.515 3.118 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)ccc2o1 ZINC000422637393 309363280 /nfs/dbraw/zinc/36/32/80/309363280.db2.gz OOHNPQTYVHEFML-IOASZLSFSA-N 2 1 330.428 3.025 20 0 EGADMP CCC[NH+](CCC)CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422716863 309364629 /nfs/dbraw/zinc/36/46/29/309364629.db2.gz UUETZVJUZSSDHK-CTNGQTDRSA-N 3 1 345.531 3.344 20 0 EGADMP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000422721638 309364992 /nfs/dbraw/zinc/36/49/92/309364992.db2.gz VWEAJSRKTPYDQJ-VLCRHTCISA-N 2 1 335.495 3.285 20 0 EGADMP C[NH+](C)CC[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)(C)C ZINC000422768392 309367382 /nfs/dbraw/zinc/36/73/82/309367382.db2.gz UMTAEBVPELGPST-CUWPLCDZSA-N 2 1 345.531 3.198 20 0 EGADMP COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422774601 309367664 /nfs/dbraw/zinc/36/76/64/309367664.db2.gz XPDPFSKIJDAEIL-ZBFHGGJFSA-N 2 1 336.476 3.113 20 0 EGADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422794471 309368753 /nfs/dbraw/zinc/36/87/53/309368753.db2.gz GSVYHODUIWJWJC-UZLBHIALSA-N 2 1 339.483 3.329 20 0 EGADMP COc1ccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc1NC(C)=O ZINC000422847841 309371771 /nfs/dbraw/zinc/37/17/71/309371771.db2.gz SEUNSULGYJZIPQ-RHSMWYFYSA-N 2 1 333.476 3.054 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CC[NH2+]CC[C@H]3C)cc2)C1 ZINC000422859345 309372363 /nfs/dbraw/zinc/37/23/63/309372363.db2.gz JUXDESFOICQSHZ-OPYAIIAOSA-N 3 1 329.532 3.396 20 0 EGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422937912 309377220 /nfs/dbraw/zinc/37/72/20/309377220.db2.gz DGCGOFWUONTQNN-KDOFPFPSSA-N 2 1 334.410 3.379 20 0 EGADMP COc1cccc(COCC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000423003019 309380420 /nfs/dbraw/zinc/38/04/20/309380420.db2.gz KNONXZZNMZPZNV-PZJWPPBQSA-N 2 1 340.467 3.295 20 0 EGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccnc1OCC(F)F ZINC000423023492 309381651 /nfs/dbraw/zinc/38/16/51/309381651.db2.gz JTQKPCAEQNEXKH-ZFWWWQNUSA-N 2 1 327.419 3.126 20 0 EGADMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000423040622 309382369 /nfs/dbraw/zinc/38/23/69/309382369.db2.gz HQWBFJXKDJMESU-CFVMTHIKSA-N 2 1 330.476 3.035 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423050761 309383179 /nfs/dbraw/zinc/38/31/79/309383179.db2.gz LYYWVMVQJHZYPW-MGPUTAFESA-N 2 1 339.458 3.408 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000423066881 309384185 /nfs/dbraw/zinc/38/41/85/309384185.db2.gz FQLARQCVSANEQV-LNSITVRQSA-N 2 1 328.287 3.302 20 0 EGADMP CC(C)Oc1ccc([C@@H](C[NH2+][C@@H](C)c2c[nH+]ccc2N)N(C)C)cc1 ZINC000423124523 309387069 /nfs/dbraw/zinc/38/70/69/309387069.db2.gz MQQBPQFIZYERCV-MGPUTAFESA-N 2 1 342.487 3.235 20 0 EGADMP CC(C)c1nnc(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)s1 ZINC000423133199 309387547 /nfs/dbraw/zinc/38/75/47/309387547.db2.gz PWXFPIFGOOJFQE-HZPDHXFCSA-N 2 1 330.501 3.287 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423215004 309390802 /nfs/dbraw/zinc/39/08/02/309390802.db2.gz MFPHLKLLSOQDLK-RRFJBIMHSA-N 2 1 334.460 3.120 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423260140 309392757 /nfs/dbraw/zinc/39/27/57/309392757.db2.gz PPWOYXNZGKWSEQ-QESAQDPVSA-N 3 1 341.543 3.266 20 0 EGADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423274298 309393582 /nfs/dbraw/zinc/39/35/82/309393582.db2.gz LUNJRWCQHGRFGC-FYZZASKESA-N 3 1 329.532 3.122 20 0 EGADMP C[NH2+]C[C@H](C)CN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423274298 309393583 /nfs/dbraw/zinc/39/35/83/309393583.db2.gz LUNJRWCQHGRFGC-FYZZASKESA-N 2 1 329.532 3.122 20 0 EGADMP C[NH2+]C[C@H](C)CN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423274298 309393584 /nfs/dbraw/zinc/39/35/84/309393584.db2.gz LUNJRWCQHGRFGC-FYZZASKESA-N 2 1 329.532 3.122 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423294209 309394305 /nfs/dbraw/zinc/39/43/05/309394305.db2.gz BIPPKZDUMJVAEU-JKSUJKDBSA-N 2 1 325.294 3.414 20 0 EGADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423341921 309396282 /nfs/dbraw/zinc/39/62/82/309396282.db2.gz YFCQTDZBEDUVSZ-GDBMZVCRSA-N 2 1 336.451 3.306 20 0 EGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423365850 309397141 /nfs/dbraw/zinc/39/71/41/309397141.db2.gz KSIFDDUGGHBTRL-ARKSPBFVSA-N 2 1 338.442 3.205 20 0 EGADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc4c(c3)C[NH2+]C4)CC2)C1 ZINC000423384945 309397948 /nfs/dbraw/zinc/39/79/48/309397948.db2.gz LDYMNMCDXAGNPU-KKSFZXQISA-N 3 1 327.516 3.423 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(F)cc(Br)c1 ZINC000423495750 309402965 /nfs/dbraw/zinc/40/29/65/309402965.db2.gz VHHAABCHTKHOBM-CABCVRRESA-N 2 1 345.256 3.007 20 0 EGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(SCC(F)(F)F)cc1 ZINC000423500898 309403411 /nfs/dbraw/zinc/40/34/11/309403411.db2.gz DFZKLPUQPVBXQI-GXTWGEPZSA-N 2 1 348.434 3.370 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)cc1O ZINC000426395259 309506325 /nfs/dbraw/zinc/50/63/25/309506325.db2.gz MDXRNBYQSXXUMK-WMZOPIPTSA-N 2 1 334.504 3.432 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000439073569 309825667 /nfs/dbraw/zinc/82/56/67/309825667.db2.gz BZZPTFVFLLNJOH-OAHLLOKOSA-N 2 1 333.476 3.180 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449095536 310036652 /nfs/dbraw/zinc/03/66/52/310036652.db2.gz ZETLDVPRNTYFNC-HNNXBMFYSA-N 2 1 330.451 3.048 20 0 EGADMP Cc1cccnc1CCC[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000449483472 310065770 /nfs/dbraw/zinc/06/57/70/310065770.db2.gz AWSQWRDSTUDFLQ-UHFFFAOYSA-N 2 1 344.528 3.335 20 0 EGADMP Cc1cccnc1CCC[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000449483472 310065771 /nfs/dbraw/zinc/06/57/71/310065771.db2.gz AWSQWRDSTUDFLQ-UHFFFAOYSA-N 2 1 344.528 3.335 20 0 EGADMP CO[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000449499864 310067117 /nfs/dbraw/zinc/06/71/17/310067117.db2.gz MKVCAKPSTGMTAN-UTKZUKDTSA-N 2 1 345.531 3.074 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](COC)CC2)CC1 ZINC000449778667 310086507 /nfs/dbraw/zinc/08/65/07/310086507.db2.gz SINPMFMPSGPVSN-IBGZPJMESA-N 2 1 345.531 3.077 20 0 EGADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)C[C@@H]1CCCCC1(F)F ZINC000451036932 310157007 /nfs/dbraw/zinc/15/70/07/310157007.db2.gz NDIXIHBTZWFHJX-KRWDZBQOSA-N 2 1 331.495 3.161 20 0 EGADMP CCO[C@@H]1CC[N@@H+](C/C=C/C[NH+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000451522007 310182484 /nfs/dbraw/zinc/18/24/84/310182484.db2.gz ALLZICXHAXKQMF-SRRIFVBASA-N 2 1 338.536 3.036 20 0 EGADMP CCO[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000451522007 310182485 /nfs/dbraw/zinc/18/24/85/310182485.db2.gz ALLZICXHAXKQMF-SRRIFVBASA-N 2 1 338.536 3.036 20 0 EGADMP CCO[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000451522007 310182486 /nfs/dbraw/zinc/18/24/86/310182486.db2.gz ALLZICXHAXKQMF-SRRIFVBASA-N 2 1 338.536 3.036 20 0 EGADMP CCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000453150550 310261039 /nfs/dbraw/zinc/26/10/39/310261039.db2.gz USZHDRGJCVDMNC-HBMCJLEFSA-N 2 1 338.499 3.436 20 0 EGADMP CCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000453150550 310261040 /nfs/dbraw/zinc/26/10/40/310261040.db2.gz USZHDRGJCVDMNC-HBMCJLEFSA-N 2 1 338.499 3.436 20 0 EGADMP OC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000453208080 310264118 /nfs/dbraw/zinc/26/41/18/310264118.db2.gz AJWTZLVOHGDOTO-DOIPELPJSA-N 2 1 328.500 3.038 20 0 EGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H](C3CC3)C3CCC3)C2)cc1 ZINC000453212191 310264376 /nfs/dbraw/zinc/26/43/76/310264376.db2.gz NYFARKVONBMAIY-RTWAWAEBSA-N 2 1 328.500 3.446 20 0 EGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H](C3CC3)C3CCC3)C2)cc1 ZINC000453212191 310264377 /nfs/dbraw/zinc/26/43/77/310264377.db2.gz NYFARKVONBMAIY-RTWAWAEBSA-N 2 1 328.500 3.446 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(OC)c2ccccc2)[C@H](C)C1 ZINC000453313987 310270551 /nfs/dbraw/zinc/27/05/51/310270551.db2.gz FEKCDICHQBSECW-HLAWJBBLSA-N 2 1 348.531 3.275 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@](C)(OC)c2ccccc2)[C@H](C)C1 ZINC000453313984 310270620 /nfs/dbraw/zinc/27/06/20/310270620.db2.gz FEKCDICHQBSECW-GIVPXCGWSA-N 2 1 348.531 3.275 20 0 EGADMP CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453346640 310272139 /nfs/dbraw/zinc/27/21/39/310272139.db2.gz KNVNDLPXSDJKEL-HZPDHXFCSA-N 2 1 330.476 3.255 20 0 EGADMP CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453346632 310272193 /nfs/dbraw/zinc/27/21/93/310272193.db2.gz KNVNDLPXSDJKEL-CVEARBPZSA-N 2 1 330.476 3.255 20 0 EGADMP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000453374547 310273471 /nfs/dbraw/zinc/27/34/71/310273471.db2.gz OZNBIYPRQCPBLX-FSIJUFHLSA-N 2 1 328.500 3.300 20 0 EGADMP Cn1ccnc1[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(F)c1 ZINC000453408738 310275594 /nfs/dbraw/zinc/27/55/94/310275594.db2.gz SUYFBNFWOYMABN-SFHVURJKSA-N 2 1 330.451 3.113 20 0 EGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)C[N@@H+](C)Cc3ccccc3)ccc21 ZINC000456255533 310395084 /nfs/dbraw/zinc/39/50/84/310395084.db2.gz CEUDSFHMBJCDMX-FQEVSTJZSA-N 2 1 337.467 3.306 20 0 EGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)C[N@H+](C)Cc3ccccc3)ccc21 ZINC000456255533 310395085 /nfs/dbraw/zinc/39/50/85/310395085.db2.gz CEUDSFHMBJCDMX-FQEVSTJZSA-N 2 1 337.467 3.306 20 0 EGADMP Cc1cc(NC(=O)c2sccc2C[NH+](C)C)ccc1C[NH+](C)C ZINC000458264055 310495061 /nfs/dbraw/zinc/49/50/61/310495061.db2.gz BUGRTBSWAZOYGQ-UHFFFAOYSA-N 2 1 331.485 3.432 20 0 EGADMP Fc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1Cl ZINC000459455564 310553961 /nfs/dbraw/zinc/55/39/61/310553961.db2.gz GJAUIFNSTXMMMD-CQSZACIVSA-N 2 1 337.870 3.274 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000489926337 311125520 /nfs/dbraw/zinc/12/55/20/311125520.db2.gz BSMJCYLUVXJLJJ-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000489926337 311125522 /nfs/dbraw/zinc/12/55/22/311125522.db2.gz BSMJCYLUVXJLJJ-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000489926337 311125523 /nfs/dbraw/zinc/12/55/23/311125523.db2.gz BSMJCYLUVXJLJJ-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000489926337 311125525 /nfs/dbraw/zinc/12/55/25/311125525.db2.gz BSMJCYLUVXJLJJ-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP C[C@H]1C[C@H](CC[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C[C@@H](C)C1 ZINC000490696994 311149638 /nfs/dbraw/zinc/14/96/38/311149638.db2.gz KLYGAIRGQMGVFU-QGLKVJOYSA-N 2 1 335.580 3.407 20 0 EGADMP Cc1ccc(F)cc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000491251410 311170411 /nfs/dbraw/zinc/17/04/11/311170411.db2.gz YXCJXSFWOXQPDP-CALCHBBNSA-N 2 1 334.479 3.455 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000495605592 311584934 /nfs/dbraw/zinc/58/49/34/311584934.db2.gz WDWKIMPTHKEOEA-ZWKOTPCHSA-N 2 1 347.503 3.360 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1OC ZINC000503197207 311982889 /nfs/dbraw/zinc/98/28/89/311982889.db2.gz DMHGCLXGNKILPN-DLBZAZTESA-N 2 1 347.503 3.124 20 0 EGADMP Oc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000507464305 312073263 /nfs/dbraw/zinc/07/32/63/312073263.db2.gz WSBPMYATRIYRJS-CEMLEFRQSA-N 2 1 336.479 3.435 20 0 EGADMP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000508209184 312090770 /nfs/dbraw/zinc/09/07/70/312090770.db2.gz AQFOJLAIJGQWQG-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CC[N@H+]1CCC[C@H](CN[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000508695109 312099733 /nfs/dbraw/zinc/09/97/33/312099733.db2.gz HMICMVCXSYWGNC-HMXCVIKNSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC[C@H](CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000508695109 312099734 /nfs/dbraw/zinc/09/97/34/312099734.db2.gz HMICMVCXSYWGNC-HMXCVIKNSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC[C@H](CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000508695109 312099737 /nfs/dbraw/zinc/09/97/37/312099737.db2.gz HMICMVCXSYWGNC-HMXCVIKNSA-N 3 1 329.532 3.219 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000508695109 312099738 /nfs/dbraw/zinc/09/97/38/312099738.db2.gz HMICMVCXSYWGNC-HMXCVIKNSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000508695109 312099741 /nfs/dbraw/zinc/09/97/41/312099741.db2.gz HMICMVCXSYWGNC-HMXCVIKNSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000508695109 312099742 /nfs/dbraw/zinc/09/97/42/312099742.db2.gz HMICMVCXSYWGNC-HMXCVIKNSA-N 3 1 329.532 3.219 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCN(C5CC5)C4)[C@@H]3C2)cc1 ZINC000512660014 312191620 /nfs/dbraw/zinc/19/16/20/312191620.db2.gz LDCOSHBKNHJLDW-MPJJRAAHSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@H]4CC[NH+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000512660014 312191621 /nfs/dbraw/zinc/19/16/21/312191621.db2.gz LDCOSHBKNHJLDW-MPJJRAAHSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@H]4CC[NH+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000512660014 312191622 /nfs/dbraw/zinc/19/16/22/312191622.db2.gz LDCOSHBKNHJLDW-MPJJRAAHSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H](N[C@H]4CC[N@@H+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000512660014 312191623 /nfs/dbraw/zinc/19/16/23/312191623.db2.gz LDCOSHBKNHJLDW-MPJJRAAHSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H](N[C@H]4CC[N@H+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000512660014 312191624 /nfs/dbraw/zinc/19/16/24/312191624.db2.gz LDCOSHBKNHJLDW-MPJJRAAHSA-N 2 1 339.527 3.113 20 0 EGADMP CC[C@H](O)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512656347 312191657 /nfs/dbraw/zinc/19/16/57/312191657.db2.gz ZGJYQGNZJOMBIE-PLACYPQZSA-N 2 1 330.516 3.428 20 0 EGADMP c1cnn(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000513677878 312215251 /nfs/dbraw/zinc/21/52/51/312215251.db2.gz DHEWRGHYAUEBGP-PWRODBHTSA-N 2 1 338.499 3.164 20 0 EGADMP CC[C@@H](C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C)[NH+]1CCCC1 ZINC000513762863 312217464 /nfs/dbraw/zinc/21/74/64/312217464.db2.gz UBXVMQLBEDWUMX-YJBOKZPZSA-N 2 1 334.504 3.407 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000514089618 312224653 /nfs/dbraw/zinc/22/46/53/312224653.db2.gz NGVRJYZAXFJKGN-QGZVFWFLSA-N 2 1 349.519 3.312 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000514089618 312224656 /nfs/dbraw/zinc/22/46/56/312224656.db2.gz NGVRJYZAXFJKGN-QGZVFWFLSA-N 2 1 349.519 3.312 20 0 EGADMP C[NH+](C)C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)c1ccc(F)cc1 ZINC000514903011 312252568 /nfs/dbraw/zinc/25/25/68/312252568.db2.gz HJPFPRSXRLRTSD-LJQANCHMSA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc4c(c3)CCCC4)C2)CC1 ZINC000516269758 312318471 /nfs/dbraw/zinc/31/84/71/312318471.db2.gz OOQQPMWFYJPUTE-QFIPXVFZSA-N 2 1 341.543 3.166 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1F ZINC000522546670 312591998 /nfs/dbraw/zinc/59/19/98/312591998.db2.gz YPUOPKLGEZITCE-WMLDXEAASA-N 2 1 337.483 3.417 20 0 EGADMP COc1cc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc(C(F)(F)F)c1 ZINC000529524886 313342889 /nfs/dbraw/zinc/34/28/89/313342889.db2.gz ZRWPFSQXVQETLA-CYBMUJFWSA-N 2 1 330.394 3.488 20 0 EGADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc(C(F)(F)F)c1 ZINC000529524886 313342901 /nfs/dbraw/zinc/34/29/01/313342901.db2.gz ZRWPFSQXVQETLA-CYBMUJFWSA-N 2 1 330.394 3.488 20 0 EGADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc(C(F)(F)F)c1 ZINC000529524886 313342903 /nfs/dbraw/zinc/34/29/03/313342903.db2.gz ZRWPFSQXVQETLA-CYBMUJFWSA-N 2 1 330.394 3.488 20 0 EGADMP COc1cc(C[N@H+](C)CC[C@H]2CCC[NH+]2C)ccc1OC(F)F ZINC000535052828 314020389 /nfs/dbraw/zinc/02/03/89/314020389.db2.gz KDBJYMLXGRDMOL-CQSZACIVSA-N 2 1 328.403 3.213 20 0 EGADMP COc1cc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)ccc1OC(F)F ZINC000535052828 314020392 /nfs/dbraw/zinc/02/03/92/314020392.db2.gz KDBJYMLXGRDMOL-CQSZACIVSA-N 2 1 328.403 3.213 20 0 EGADMP COc1cc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)ccc1OC(F)F ZINC000535052828 314020397 /nfs/dbraw/zinc/02/03/97/314020397.db2.gz KDBJYMLXGRDMOL-CQSZACIVSA-N 2 1 328.403 3.213 20 0 EGADMP COc1cc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)ccc1OC(F)F ZINC000535052828 314020402 /nfs/dbraw/zinc/02/04/02/314020402.db2.gz KDBJYMLXGRDMOL-CQSZACIVSA-N 2 1 328.403 3.213 20 0 EGADMP CC[N@@H+](CCC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1)CC(C)C ZINC000538035173 314225072 /nfs/dbraw/zinc/22/50/72/314225072.db2.gz LRTXTKIYSMSEAO-LJQANCHMSA-N 2 1 339.568 3.179 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000539063335 314293964 /nfs/dbraw/zinc/29/39/64/314293964.db2.gz AKPOCJHTPFQBBZ-GOEBONIOSA-N 2 1 344.528 3.195 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000539063335 314293966 /nfs/dbraw/zinc/29/39/66/314293966.db2.gz AKPOCJHTPFQBBZ-GOEBONIOSA-N 2 1 344.528 3.195 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOC2CCCCC2)[C@H](C)C1 ZINC000540175465 314367726 /nfs/dbraw/zinc/36/77/26/314367726.db2.gz IXVMCCRZIYJSIP-IEBWSBKVSA-N 2 1 326.525 3.062 20 0 EGADMP CCC(CC)(C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC ZINC000548486954 315015967 /nfs/dbraw/zinc/01/59/67/315015967.db2.gz KUYLZRQYJZXSNN-MJGOQNOKSA-N 2 1 346.515 3.466 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000549688160 315100925 /nfs/dbraw/zinc/10/09/25/315100925.db2.gz ODVMNDCGAFNPTJ-HNNXBMFYSA-N 2 1 337.305 3.380 20 0 EGADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)[C@@H](c2ccccc2)C1 ZINC000554724537 315345683 /nfs/dbraw/zinc/34/56/83/315345683.db2.gz JRIBBDRSWXYIJA-DOIPELPJSA-N 2 1 327.516 3.143 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCCCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000563759759 316064655 /nfs/dbraw/zinc/06/46/55/316064655.db2.gz UEVSXAHDIBVAND-ICSRJNTNSA-N 2 1 326.488 3.306 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCCCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000563759759 316064658 /nfs/dbraw/zinc/06/46/58/316064658.db2.gz UEVSXAHDIBVAND-ICSRJNTNSA-N 2 1 326.488 3.306 20 0 EGADMP C[N@@H+](C[C@H](O)CNCc1ccc(Sc2ccccc2)cc1)C1CC1 ZINC000563952613 316095890 /nfs/dbraw/zinc/09/58/90/316095890.db2.gz NBXIBEUJRJIOHC-GOSISDBHSA-N 2 1 342.508 3.383 20 0 EGADMP CN(C[C@H](O)C[NH2+]Cc1ccc(Sc2ccccc2)cc1)C1CC1 ZINC000563952613 316095895 /nfs/dbraw/zinc/09/58/95/316095895.db2.gz NBXIBEUJRJIOHC-GOSISDBHSA-N 2 1 342.508 3.383 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccc(C[NH3+])cc2)cc1)C(C)C ZINC000565039119 316254242 /nfs/dbraw/zinc/25/42/42/316254242.db2.gz QBDDDWBZGKTOJN-UHFFFAOYSA-N 2 1 339.483 3.306 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@]3(C)CCCC[C@H]3C)CC2)CC1 ZINC000565727130 316362888 /nfs/dbraw/zinc/36/28/88/316362888.db2.gz YLHDTBUEIXUPEF-UTKZUKDTSA-N 2 1 349.563 3.268 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](SCCCN3CCOCC3)C2)cc1 ZINC000570843001 317116120 /nfs/dbraw/zinc/11/61/20/317116120.db2.gz UJGDOSQEEVDMKO-LJQANCHMSA-N 2 1 334.529 3.107 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H](SCCC[NH+]3CCOCC3)C2)cc1 ZINC000570843001 317116123 /nfs/dbraw/zinc/11/61/23/317116123.db2.gz UJGDOSQEEVDMKO-LJQANCHMSA-N 2 1 334.529 3.107 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](SCCC[NH+]3CCOCC3)C2)cc1 ZINC000570843001 317116126 /nfs/dbraw/zinc/11/61/26/317116126.db2.gz UJGDOSQEEVDMKO-LJQANCHMSA-N 2 1 334.529 3.107 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@](C)(Cc1ccccc1)c1ccccc1 ZINC000571341792 317185630 /nfs/dbraw/zinc/18/56/30/317185630.db2.gz PYNTYDUULUAXMW-LEWJYISDSA-N 2 1 326.484 3.047 20 0 EGADMP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000171384567 323232274 /nfs/dbraw/zinc/23/22/74/323232274.db2.gz NRPLBZCTKCFIRR-MSOLQXFVSA-N 2 1 345.531 3.134 20 0 EGADMP CCCCOc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000171846340 323254821 /nfs/dbraw/zinc/25/48/21/323254821.db2.gz NQONULPBEXLSSX-UHFFFAOYSA-N 2 1 345.531 3.079 20 0 EGADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000177870146 323346848 /nfs/dbraw/zinc/34/68/48/323346848.db2.gz OBEIEOGPCHYGTL-XGHQBKJUSA-N 2 1 340.515 3.432 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000178102449 323351439 /nfs/dbraw/zinc/35/14/39/323351439.db2.gz PXYAKPIXDISOMC-RVKKMQEKSA-N 2 1 332.488 3.460 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000178102449 323351441 /nfs/dbraw/zinc/35/14/41/323351441.db2.gz PXYAKPIXDISOMC-RVKKMQEKSA-N 2 1 332.488 3.460 20 0 EGADMP COc1cc(F)c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1OC ZINC000178787245 323360404 /nfs/dbraw/zinc/36/04/04/323360404.db2.gz OBMQHGRHQLOFKJ-CYBMUJFWSA-N 2 1 335.423 3.479 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000350609635 324106944 /nfs/dbraw/zinc/10/69/44/324106944.db2.gz VVKYOTIDLSRVBS-GASCZTMLSA-N 2 1 344.459 3.050 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000382749201 324252643 /nfs/dbraw/zinc/25/26/43/324252643.db2.gz YOFLFDQSTYTUQL-MISYRCLQSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000387475462 324270985 /nfs/dbraw/zinc/27/09/85/324270985.db2.gz UMBALIOZVIOBRH-HBFSDRIKSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000387475462 324270989 /nfs/dbraw/zinc/27/09/89/324270989.db2.gz UMBALIOZVIOBRH-HBFSDRIKSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000387475462 324270993 /nfs/dbraw/zinc/27/09/93/324270993.db2.gz UMBALIOZVIOBRH-HBFSDRIKSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000387475462 324270998 /nfs/dbraw/zinc/27/09/98/324270998.db2.gz UMBALIOZVIOBRH-HBFSDRIKSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOCC(F)(F)F ZINC000397976706 324295122 /nfs/dbraw/zinc/29/51/22/324295122.db2.gz KYPYLOXGFQGMCS-RDJZCZTQSA-N 2 1 344.421 3.456 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOCC(F)(F)F ZINC000397976706 324295126 /nfs/dbraw/zinc/29/51/26/324295126.db2.gz KYPYLOXGFQGMCS-RDJZCZTQSA-N 2 1 344.421 3.456 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000579209630 325077490 /nfs/dbraw/zinc/07/74/90/325077490.db2.gz WOPRUJVBPXNQEO-IBGZPJMESA-N 2 1 344.503 3.325 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cn1 ZINC000580288982 325229086 /nfs/dbraw/zinc/22/90/86/325229086.db2.gz JDMFOSXTBANLIC-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP CCOC(=O)C1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000580363516 325239168 /nfs/dbraw/zinc/23/91/68/325239168.db2.gz BTTXANOZBWRPDT-PKOBYXMFSA-N 2 1 344.499 3.220 20 0 EGADMP O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000581380830 325357011 /nfs/dbraw/zinc/35/70/11/325357011.db2.gz GXCUPYZEEFBYME-HAGHYFMRSA-N 2 1 341.499 3.003 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12 ZINC000581696546 325383222 /nfs/dbraw/zinc/38/32/22/325383222.db2.gz PXIMPWUNAQFMQT-FYZZASKESA-N 2 1 329.532 3.215 20 0 EGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000581696546 325383225 /nfs/dbraw/zinc/38/32/25/325383225.db2.gz PXIMPWUNAQFMQT-FYZZASKESA-N 2 1 329.532 3.215 20 0 EGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000581696546 325383226 /nfs/dbraw/zinc/38/32/26/325383226.db2.gz PXIMPWUNAQFMQT-FYZZASKESA-N 2 1 329.532 3.215 20 0 EGADMP CSc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)s1 ZINC000356126928 457469200 /nfs/dbraw/zinc/46/92/00/457469200.db2.gz VKZDXIYSQXLHGF-BPLDGKMQSA-N 2 1 326.531 3.154 20 0 EGADMP CSc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)s1 ZINC000356126928 457469211 /nfs/dbraw/zinc/46/92/11/457469211.db2.gz VKZDXIYSQXLHGF-BPLDGKMQSA-N 2 1 326.531 3.154 20 0 EGADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000238121915 455254633 /nfs/dbraw/zinc/25/46/33/455254633.db2.gz UYFOUNZUSHGJCL-OAQYLSRUSA-N 2 1 342.458 3.156 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000190052690 455275682 /nfs/dbraw/zinc/27/56/82/455275682.db2.gz JNTCNGFYCRMXBP-GJYPPUQNSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000190052690 455275687 /nfs/dbraw/zinc/27/56/87/455275687.db2.gz JNTCNGFYCRMXBP-GJYPPUQNSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000190052690 455275691 /nfs/dbraw/zinc/27/56/91/455275691.db2.gz JNTCNGFYCRMXBP-GJYPPUQNSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000190052690 455275697 /nfs/dbraw/zinc/27/56/97/455275697.db2.gz JNTCNGFYCRMXBP-GJYPPUQNSA-N 2 1 339.524 3.048 20 0 EGADMP C[N@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000245540763 455325308 /nfs/dbraw/zinc/32/53/08/455325308.db2.gz MYTUNUUYVTZBHQ-UYAOXDASSA-N 2 1 332.488 3.018 20 0 EGADMP C[NH+](Cc1ccc(OC[C@H]2CCCO2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000245540763 455325313 /nfs/dbraw/zinc/32/53/13/455325313.db2.gz MYTUNUUYVTZBHQ-UYAOXDASSA-N 2 1 332.488 3.018 20 0 EGADMP C[NH+](Cc1ccc(OC[C@H]2CCCO2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000245540763 455325318 /nfs/dbraw/zinc/32/53/18/455325318.db2.gz MYTUNUUYVTZBHQ-UYAOXDASSA-N 2 1 332.488 3.018 20 0 EGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631845875 460579773 /nfs/dbraw/zinc/57/97/73/460579773.db2.gz MXBHYJVRSNJIKW-KSSFIOAISA-N 2 1 327.476 3.042 20 0 EGADMP CCc1nc2c(s1)[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)CCC2 ZINC000159136769 455354594 /nfs/dbraw/zinc/35/45/94/455354594.db2.gz JVVPNANRBIZFCJ-HNNXBMFYSA-N 2 1 337.533 3.173 20 0 EGADMP C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181630370 455365366 /nfs/dbraw/zinc/36/53/66/455365366.db2.gz JYHBWHPRFPVYEP-LPHOPBHVSA-N 2 1 343.515 3.131 20 0 EGADMP CCOc1ccccc1OCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075834314 453929766 /nfs/dbraw/zinc/92/97/66/453929766.db2.gz VHWSEBLHSVKFQY-SFHVURJKSA-N 2 1 332.488 3.272 20 0 EGADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075834314 453929768 /nfs/dbraw/zinc/92/97/68/453929768.db2.gz VHWSEBLHSVKFQY-SFHVURJKSA-N 2 1 332.488 3.272 20 0 EGADMP CCc1cc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)on1 ZINC000089282966 454133398 /nfs/dbraw/zinc/13/33/98/454133398.db2.gz ZLLJUYQOBLNJIY-UHFFFAOYSA-N 2 1 342.487 3.057 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000089669159 454175468 /nfs/dbraw/zinc/17/54/68/454175468.db2.gz JJYZDLZZTSUSQX-HOCLYGCPSA-N 2 1 330.501 3.068 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)[C@H](C)C1 ZINC000089728249 454183591 /nfs/dbraw/zinc/18/35/91/454183591.db2.gz YLCFDUIHRMTKRM-CJNGLKHVSA-N 2 1 348.878 3.252 20 0 EGADMP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130679205 454213338 /nfs/dbraw/zinc/21/33/38/454213338.db2.gz KKWPSODAAVMUBU-INIZCTEOSA-N 2 1 347.463 3.007 20 0 EGADMP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130679205 454213342 /nfs/dbraw/zinc/21/33/42/454213342.db2.gz KKWPSODAAVMUBU-INIZCTEOSA-N 2 1 347.463 3.007 20 0 EGADMP CC(C)CO[C@H]1CC[NH+](CC(C)C[N@@H+]2CC[C@H](OCC(C)C)C2)C1 ZINC000120125576 454261036 /nfs/dbraw/zinc/26/10/36/454261036.db2.gz QVNZTUWBIIZXPT-PMACEKPBSA-N 2 1 340.552 3.116 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000090716069 454337902 /nfs/dbraw/zinc/33/79/02/454337902.db2.gz ZEZJZLZGKAGCNB-BBRMVZONSA-N 2 1 330.394 3.195 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1OC(F)F ZINC000062427208 454377085 /nfs/dbraw/zinc/37/70/85/454377085.db2.gz CEGJSIREMRPRGK-AWEZNQCLSA-N 2 1 328.403 3.117 20 0 EGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccccc2)C2CCCC2)C1 ZINC000091333553 454427843 /nfs/dbraw/zinc/42/78/43/454427843.db2.gz HRDXGCAJTNDDTH-VQTJNVASSA-N 2 1 343.515 3.095 20 0 EGADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(C)cc2C)CC1 ZINC000047978606 454428159 /nfs/dbraw/zinc/42/81/59/454428159.db2.gz DWZKJFABYGMAOS-UHFFFAOYSA-N 2 1 331.504 3.296 20 0 EGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)CCCO2 ZINC000121422693 454432870 /nfs/dbraw/zinc/43/28/70/454432870.db2.gz WXHZGPYVNKXVCR-KBXCAEBGSA-N 2 1 329.444 3.340 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C ZINC000121425349 454433982 /nfs/dbraw/zinc/43/39/82/454433982.db2.gz FITQDIOHEUWPTQ-HOCLYGCPSA-N 2 1 328.460 3.143 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000063917489 454459842 /nfs/dbraw/zinc/45/98/42/454459842.db2.gz FIEQWHDZJIWYLG-GOSISDBHSA-N 2 1 339.483 3.482 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000063917489 454459843 /nfs/dbraw/zinc/45/98/43/454459843.db2.gz FIEQWHDZJIWYLG-GOSISDBHSA-N 2 1 339.483 3.482 20 0 EGADMP CCOc1cc(CCC[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1OC ZINC000133905639 454480919 /nfs/dbraw/zinc/48/09/19/454480919.db2.gz JEQCJUONHGWZOG-BQFCYCMXSA-N 2 1 334.504 3.345 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000104857647 454607669 /nfs/dbraw/zinc/60/76/69/454607669.db2.gz RZWYBHGWUMHYJB-APWZRJJASA-N 2 1 342.487 3.027 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000104946958 454611132 /nfs/dbraw/zinc/61/11/32/454611132.db2.gz JJQGSDSHGZTLCC-HSZRJFAPSA-N 2 1 336.545 3.238 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000123183305 454611482 /nfs/dbraw/zinc/61/14/82/454611482.db2.gz GGRNJTSLFORRDA-PMACEKPBSA-N 2 1 329.532 3.186 20 0 EGADMP CC(C)[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000066045537 454653324 /nfs/dbraw/zinc/65/33/24/454653324.db2.gz CYQHLKXLPVVFKG-VQTJNVASSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H](CC[NH2+]C1CCC2(CC1)OCCO2)[N@@H+](C)Cc1ccccc1 ZINC000161601539 454706375 /nfs/dbraw/zinc/70/63/75/454706375.db2.gz XZWLDSQAVIHXCN-KRWDZBQOSA-N 2 1 332.488 3.172 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000106801932 454720786 /nfs/dbraw/zinc/72/07/86/454720786.db2.gz HRCGXNJYGDKBLO-CABCVRRESA-N 2 1 337.895 3.249 20 0 EGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Cl)s1 ZINC000124368447 454724811 /nfs/dbraw/zinc/72/48/11/454724811.db2.gz WJROCKBUCVEXMC-CYBMUJFWSA-N 2 1 329.941 3.326 20 0 EGADMP Cc1nccn1CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000136294178 454734090 /nfs/dbraw/zinc/73/40/90/454734090.db2.gz HKVLDUDAQGWRLS-KRWDZBQOSA-N 2 1 342.487 3.008 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000136294178 454734093 /nfs/dbraw/zinc/73/40/93/454734093.db2.gz HKVLDUDAQGWRLS-KRWDZBQOSA-N 2 1 342.487 3.008 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000136294178 454734098 /nfs/dbraw/zinc/73/40/98/454734098.db2.gz HKVLDUDAQGWRLS-KRWDZBQOSA-N 2 1 342.487 3.008 20 0 EGADMP CCOc1ccccc1[C@@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124510378 454742617 /nfs/dbraw/zinc/74/26/17/454742617.db2.gz JAARRBXQTJTPEC-QGZVFWFLSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2c1cnn2C ZINC000152955357 454746796 /nfs/dbraw/zinc/74/67/96/454746796.db2.gz ZJWRIRYCPKLOHD-FFZOFVMBSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2c1cnn2C ZINC000152955357 454746802 /nfs/dbraw/zinc/74/68/02/454746802.db2.gz ZJWRIRYCPKLOHD-FFZOFVMBSA-N 2 1 338.499 3.298 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)c1cnn(C)c1 ZINC000162131771 454753499 /nfs/dbraw/zinc/75/34/99/454753499.db2.gz DQKOAIONBONCNP-FQEVSTJZSA-N 2 1 326.488 3.434 20 0 EGADMP CCC(CC)[C@H](O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000162213324 454759123 /nfs/dbraw/zinc/75/91/23/454759123.db2.gz CADNNSMRCUKGJQ-HXUWFJFHSA-N 2 1 336.495 3.219 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H]3CCc4cc(F)ccc43)CC2)nc(C)[nH+]1 ZINC000162223997 454760945 /nfs/dbraw/zinc/76/09/45/454760945.db2.gz VBQAOIWLXQHYSY-IBGZPJMESA-N 2 1 340.446 3.478 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010457 460654603 /nfs/dbraw/zinc/65/46/03/460654603.db2.gz LSNZCLGSRVBDMM-MBSDFSHPSA-N 3 1 349.522 3.333 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010457 460654605 /nfs/dbraw/zinc/65/46/05/460654605.db2.gz LSNZCLGSRVBDMM-MBSDFSHPSA-N 2 1 349.522 3.333 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)CC2)oc1C ZINC000162776915 454799537 /nfs/dbraw/zinc/79/95/37/454799537.db2.gz IUMNOLKMYVEJHE-QGZVFWFLSA-N 2 1 349.519 3.439 20 0 EGADMP COCC[N@@H+](C)CCCN[C@@H](C)c1ccccc1Br ZINC000153742870 454827724 /nfs/dbraw/zinc/82/77/24/454827724.db2.gz CPOAEZMSDVHCRF-ZDUSSCGKSA-N 2 1 329.282 3.068 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2C)[C@H](C)C1 ZINC000125701077 454840075 /nfs/dbraw/zinc/84/00/75/454840075.db2.gz MBKKYEFOHORNAU-AQNXPRMDSA-N 2 1 348.531 3.489 20 0 EGADMP C[C@H]1C[C@H](NCc2cccc(NC(=O)C3CCCC3)c2)CC[N@H+]1C ZINC000126007868 454863153 /nfs/dbraw/zinc/86/31/53/454863153.db2.gz BPDPZQVZFBFZOR-MAUKXSAKSA-N 2 1 329.488 3.388 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)CC[N@H+]1C ZINC000126007868 454863159 /nfs/dbraw/zinc/86/31/59/454863159.db2.gz BPDPZQVZFBFZOR-MAUKXSAKSA-N 2 1 329.488 3.388 20 0 EGADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](CCCc1ccccc1)c1ccccc1 ZINC000154251541 454878617 /nfs/dbraw/zinc/87/86/17/454878617.db2.gz AVXYCWMTLAPCEF-SFTDATJTSA-N 2 1 326.484 3.263 20 0 EGADMP CCn1cc([C@@H](C)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000165319829 454897687 /nfs/dbraw/zinc/89/76/87/454897687.db2.gz LFRWTNSMEIVYKP-MJGOQNOKSA-N 2 1 326.488 3.118 20 0 EGADMP CCn1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000165319829 454897690 /nfs/dbraw/zinc/89/76/90/454897690.db2.gz LFRWTNSMEIVYKP-MJGOQNOKSA-N 2 1 326.488 3.118 20 0 EGADMP CCn1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000165319829 454897692 /nfs/dbraw/zinc/89/76/92/454897692.db2.gz LFRWTNSMEIVYKP-MJGOQNOKSA-N 2 1 326.488 3.118 20 0 EGADMP C[C@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000166044799 454907120 /nfs/dbraw/zinc/90/71/20/454907120.db2.gz QDZFQHDXTQIXSJ-ZMMAXQRCSA-N 2 1 345.531 3.195 20 0 EGADMP CC[N@@H+](CCc1c(C)noc1C)CC1CCN(c2ccccn2)CC1 ZINC000166204741 454908148 /nfs/dbraw/zinc/90/81/48/454908148.db2.gz YUVRSEHRRXDPEJ-UHFFFAOYSA-N 2 1 342.487 3.467 20 0 EGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000126774456 454917351 /nfs/dbraw/zinc/91/73/51/454917351.db2.gz XEPWYMHGZVBHDW-CRAIPNDOSA-N 2 1 332.517 3.435 20 0 EGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnn(C)c1 ZINC000126774456 454917355 /nfs/dbraw/zinc/91/73/55/454917355.db2.gz XEPWYMHGZVBHDW-CRAIPNDOSA-N 2 1 332.517 3.435 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000151108679 454938697 /nfs/dbraw/zinc/93/86/97/454938697.db2.gz LYHHFDDUNZLEMJ-ROUUACIJSA-N 3 1 333.520 3.010 20 0 EGADMP CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000151108679 454938701 /nfs/dbraw/zinc/93/87/01/454938701.db2.gz LYHHFDDUNZLEMJ-ROUUACIJSA-N 2 1 333.520 3.010 20 0 EGADMP CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000151108679 454938705 /nfs/dbraw/zinc/93/87/05/454938705.db2.gz LYHHFDDUNZLEMJ-ROUUACIJSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1CCC1 ZINC000178574879 454961905 /nfs/dbraw/zinc/96/19/05/454961905.db2.gz DIUGDGQFZPDHCZ-KRWDZBQOSA-N 2 1 346.515 3.454 20 0 EGADMP CC[C@@H](CN[C@H](C)c1cccc(OCC[NH+](C)C)c1)[NH+]1CCCC1 ZINC000151673193 455015438 /nfs/dbraw/zinc/01/54/38/455015438.db2.gz VSUYPOUTOIEHEE-MJGOQNOKSA-N 2 1 333.520 3.152 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000155678363 455029865 /nfs/dbraw/zinc/02/98/65/455029865.db2.gz PSRNMQJBFSSTKM-FUHIMQAGSA-N 2 1 329.532 3.142 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000155678363 455029870 /nfs/dbraw/zinc/02/98/70/455029870.db2.gz PSRNMQJBFSSTKM-FUHIMQAGSA-N 2 1 329.532 3.142 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000155678363 455029874 /nfs/dbraw/zinc/02/98/74/455029874.db2.gz PSRNMQJBFSSTKM-FUHIMQAGSA-N 2 1 329.532 3.142 20 0 EGADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000155678363 455029879 /nfs/dbraw/zinc/02/98/79/455029879.db2.gz PSRNMQJBFSSTKM-FUHIMQAGSA-N 2 1 329.532 3.142 20 0 EGADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000155678363 455029882 /nfs/dbraw/zinc/02/98/82/455029882.db2.gz PSRNMQJBFSSTKM-FUHIMQAGSA-N 2 1 329.532 3.142 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000155789720 455045911 /nfs/dbraw/zinc/04/59/11/455045911.db2.gz MCBUPJMYCIGCKS-QGZVFWFLSA-N 2 1 331.504 3.133 20 0 EGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000151961906 455054344 /nfs/dbraw/zinc/05/43/44/455054344.db2.gz PSUGPOBEZZPNID-HNNXBMFYSA-N 2 1 338.517 3.005 20 0 EGADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128419642 455055094 /nfs/dbraw/zinc/05/50/94/455055094.db2.gz GKWOJQJTFPLBRP-FQEVSTJZSA-N 2 1 335.511 3.010 20 0 EGADMP CC(C)COc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128433372 455056222 /nfs/dbraw/zinc/05/62/22/455056222.db2.gz RFVRLBLMYOLTKN-IBGZPJMESA-N 2 1 347.547 3.400 20 0 EGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000128489295 455060925 /nfs/dbraw/zinc/06/09/25/455060925.db2.gz OEHDUGVWCSHZRW-HNNXBMFYSA-N 2 1 343.437 3.384 20 0 EGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000128489531 455061105 /nfs/dbraw/zinc/06/11/05/455061105.db2.gz OEHDUGVWCSHZRW-OAHLLOKOSA-N 2 1 343.437 3.384 20 0 EGADMP C[N@H+]1CCC[C@@H](CNC(=O)CCC2CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000156039513 455075556 /nfs/dbraw/zinc/07/55/56/455075556.db2.gz QMGBDIIWSGXTGR-QFBILLFUSA-N 2 1 349.544 3.027 20 0 EGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000623655676 460663743 /nfs/dbraw/zinc/66/37/43/460663743.db2.gz BMEMQVVIBJPSIC-SFHVURJKSA-N 2 1 339.483 3.482 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000623655676 460663750 /nfs/dbraw/zinc/66/37/50/460663750.db2.gz BMEMQVVIBJPSIC-SFHVURJKSA-N 2 1 339.483 3.482 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000156670539 455143553 /nfs/dbraw/zinc/14/35/53/455143553.db2.gz XVDWKTNBJMIFTO-LJQANCHMSA-N 2 1 329.532 3.015 20 0 EGADMP COc1c(Br)cccc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657729 460665699 /nfs/dbraw/zinc/66/56/99/460665699.db2.gz XPVNRKPHQMMKRE-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP COc1c(Br)cccc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657729 460665705 /nfs/dbraw/zinc/66/57/05/460665705.db2.gz XPVNRKPHQMMKRE-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC2CC[NH2+]CC2)cc1 ZINC000237348086 455175817 /nfs/dbraw/zinc/17/58/17/455175817.db2.gz WTFNPPXGRCWGRX-QGZVFWFLSA-N 2 1 343.515 3.067 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182908458 455188451 /nfs/dbraw/zinc/18/84/51/455188451.db2.gz YYPQJBVLLZJEEF-IAGOWNOFSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182908458 455188454 /nfs/dbraw/zinc/18/84/54/455188454.db2.gz YYPQJBVLLZJEEF-IAGOWNOFSA-N 2 1 346.519 3.166 20 0 EGADMP C[N@H+](CCOCC(F)(F)C(F)(F)F)CC[C@@H]1CCCC[NH+]1C ZINC000189433349 455195797 /nfs/dbraw/zinc/19/57/97/455195797.db2.gz YRJQNFDUQPUAST-LBPRGKRZSA-N 2 1 332.357 3.007 20 0 EGADMP C[N@@H+](CCOCC(F)(F)C(F)(F)F)CC[C@@H]1CCCC[NH+]1C ZINC000189433349 455195799 /nfs/dbraw/zinc/19/57/99/455195799.db2.gz YRJQNFDUQPUAST-LBPRGKRZSA-N 2 1 332.357 3.007 20 0 EGADMP C[NH+](CCOCC(F)(F)C(F)(F)F)CC[C@@H]1CCCC[N@@H+]1C ZINC000189433349 455195800 /nfs/dbraw/zinc/19/58/00/455195800.db2.gz YRJQNFDUQPUAST-LBPRGKRZSA-N 2 1 332.357 3.007 20 0 EGADMP C[NH+](CCOCC(F)(F)C(F)(F)F)CC[C@@H]1CCCC[N@H+]1C ZINC000189433349 455195801 /nfs/dbraw/zinc/19/58/01/455195801.db2.gz YRJQNFDUQPUAST-LBPRGKRZSA-N 2 1 332.357 3.007 20 0 EGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182954526 455198818 /nfs/dbraw/zinc/19/88/18/455198818.db2.gz BTUPQCHRKZQKDA-OAHLLOKOSA-N 2 1 343.437 3.336 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C3([NH3+])CCCC3)cc2)C1 ZINC000237686632 455207631 /nfs/dbraw/zinc/20/76/31/455207631.db2.gz RMDXPMSJWGLNIE-CALCHBBNSA-N 2 1 343.515 3.052 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183484971 455298617 /nfs/dbraw/zinc/29/86/17/455298617.db2.gz PKNWYEHQWAYPBY-JKSUJKDBSA-N 2 1 327.513 3.096 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183484971 455298621 /nfs/dbraw/zinc/29/86/21/455298621.db2.gz PKNWYEHQWAYPBY-JKSUJKDBSA-N 2 1 327.513 3.096 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC[C@H]21 ZINC000245514836 455319245 /nfs/dbraw/zinc/31/92/45/455319245.db2.gz GKIVDDMIDIWRLD-HLAWJBBLSA-N 2 1 344.499 3.161 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC[C@H]21 ZINC000245514836 455319252 /nfs/dbraw/zinc/31/92/52/455319252.db2.gz GKIVDDMIDIWRLD-HLAWJBBLSA-N 2 1 344.499 3.161 20 0 EGADMP C[N@H+]1CCC[C@@H](CNC(=O)CCC2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000245763450 455375200 /nfs/dbraw/zinc/37/52/00/455375200.db2.gz QMGBDIIWSGXTGR-LPHOPBHVSA-N 2 1 349.544 3.027 20 0 EGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000265883626 455398676 /nfs/dbraw/zinc/39/86/76/455398676.db2.gz PCRJAXJGAHRYLN-TZIWHRDSSA-N 2 1 349.478 3.141 20 0 EGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000265883626 455398678 /nfs/dbraw/zinc/39/86/78/455398678.db2.gz PCRJAXJGAHRYLN-TZIWHRDSSA-N 2 1 349.478 3.141 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000246314059 455470312 /nfs/dbraw/zinc/47/03/12/455470312.db2.gz DVVCLHLKTDBPQZ-FRQCXROJSA-N 2 1 331.504 3.491 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000246314059 455470317 /nfs/dbraw/zinc/47/03/17/455470317.db2.gz DVVCLHLKTDBPQZ-FRQCXROJSA-N 2 1 331.504 3.491 20 0 EGADMP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182266413 455476249 /nfs/dbraw/zinc/47/62/49/455476249.db2.gz VGZKJVPYRFQEAH-BUKVSMQUSA-N 2 1 336.479 3.276 20 0 EGADMP COc1ccc(COCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000606447703 460673696 /nfs/dbraw/zinc/67/36/96/460673696.db2.gz RUKXKCGPCGVIQJ-LJQANCHMSA-N 2 1 332.488 3.162 20 0 EGADMP COc1ccc(COCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000606447703 460673702 /nfs/dbraw/zinc/67/37/02/460673702.db2.gz RUKXKCGPCGVIQJ-LJQANCHMSA-N 2 1 332.488 3.162 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@@H](C)C1 ZINC000246417679 455486019 /nfs/dbraw/zinc/48/60/19/455486019.db2.gz MYLCUMNDVRONSB-FXAWDEMLSA-N 2 1 343.515 3.133 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@@H](C)C1 ZINC000246417679 455486025 /nfs/dbraw/zinc/48/60/25/455486025.db2.gz MYLCUMNDVRONSB-FXAWDEMLSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC000191496832 455490943 /nfs/dbraw/zinc/49/09/43/455490943.db2.gz SGUWAZGUEYBUDE-HXUWFJFHSA-N 2 1 347.572 3.193 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246837717 455529267 /nfs/dbraw/zinc/52/92/67/455529267.db2.gz OONSCMPWWAHJJJ-YSDSKTICSA-N 2 1 347.547 3.019 20 0 EGADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000185253615 455529639 /nfs/dbraw/zinc/52/96/39/455529639.db2.gz HJEWXOWKZKAKIC-FUHWJXTLSA-N 2 1 334.479 3.431 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)Cc3ccccc3)C2)CC1 ZINC000247024374 455545569 /nfs/dbraw/zinc/54/55/69/455545569.db2.gz URNZMXPIJGLCAA-SFTDATJTSA-N 2 1 330.516 3.034 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccsc1 ZINC000267401125 455550248 /nfs/dbraw/zinc/55/02/48/455550248.db2.gz ZPVDKTAPNYWCLZ-QAPCUYQASA-N 2 1 349.544 3.122 20 0 EGADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000182630617 455556256 /nfs/dbraw/zinc/55/62/56/455556256.db2.gz BMLAMYJCKGTSJL-PKOBYXMFSA-N 2 1 346.515 3.261 20 0 EGADMP C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000247096409 455558573 /nfs/dbraw/zinc/55/85/73/455558573.db2.gz OJINVIGAYKFHCH-QXAKKESOSA-N 2 1 333.520 3.150 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192138290 455562811 /nfs/dbraw/zinc/56/28/11/455562811.db2.gz GNNADEYTAIZWDF-ZWKOTPCHSA-N 2 1 335.398 3.370 20 0 EGADMP CC(C)C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000601021577 460679149 /nfs/dbraw/zinc/67/91/49/460679149.db2.gz DUSPGZXMSCIBAJ-SXLOBPIMSA-N 2 1 345.531 3.352 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185701085 455601283 /nfs/dbraw/zinc/60/12/83/455601283.db2.gz QSLGJIYQOHRPPK-INDMIFKZSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185701085 455601287 /nfs/dbraw/zinc/60/12/87/455601287.db2.gz QSLGJIYQOHRPPK-INDMIFKZSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cccs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185718281 455604660 /nfs/dbraw/zinc/60/46/60/455604660.db2.gz XDHQEPJDWJQSGT-OWCLPIDISA-N 2 1 349.544 3.168 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cccs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185718281 455604663 /nfs/dbraw/zinc/60/46/63/455604663.db2.gz XDHQEPJDWJQSGT-OWCLPIDISA-N 2 1 349.544 3.168 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000185740086 455610756 /nfs/dbraw/zinc/61/07/56/455610756.db2.gz ZUQKTKCXXYAXHF-ZIAGYGMSSA-N 2 1 336.501 3.277 20 0 EGADMP COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000185740086 455610763 /nfs/dbraw/zinc/61/07/63/455610763.db2.gz ZUQKTKCXXYAXHF-ZIAGYGMSSA-N 2 1 336.501 3.277 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3c(O)cccc32)[C@H](C)C1 ZINC000283939872 455614654 /nfs/dbraw/zinc/61/46/54/455614654.db2.gz FJCFFDZMFRUWLT-LSTHTHJFSA-N 2 1 346.515 3.496 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(-c3ccccn3)c2)CCCO1 ZINC000277625363 455617414 /nfs/dbraw/zinc/61/74/14/455617414.db2.gz BSDHWAQFGJFRTB-SFHVURJKSA-N 2 1 339.483 3.339 20 0 EGADMP COC(=O)C1CCC([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000192444006 455618550 /nfs/dbraw/zinc/61/85/50/455618550.db2.gz WUDJOXDOLDNXSN-IVMQYODDSA-N 2 1 332.488 3.218 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc2ccccc2o1 ZINC000271517072 455668617 /nfs/dbraw/zinc/66/86/17/455668617.db2.gz OWCHIWVLWDIHCV-WBAXXEDZSA-N 2 1 328.456 3.461 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2cccc(OC)c2)[C@@H](C)C1 ZINC000271523728 455671486 /nfs/dbraw/zinc/67/14/86/455671486.db2.gz VJBVBINQAWACET-RXVVDRJESA-N 2 1 348.531 3.354 20 0 EGADMP Cc1ccncc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000271538888 455677327 /nfs/dbraw/zinc/67/73/27/455677327.db2.gz YPPOSLQNSVSBSB-MSOLQXFVSA-N 2 1 339.483 3.462 20 0 EGADMP Cc1ccncc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000271538888 455677330 /nfs/dbraw/zinc/67/73/30/455677330.db2.gz YPPOSLQNSVSBSB-MSOLQXFVSA-N 2 1 339.483 3.462 20 0 EGADMP CC1(C)CCC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248149379 455688174 /nfs/dbraw/zinc/68/81/74/455688174.db2.gz QOHUUXRALSEJHD-MOPGFXCFSA-N 2 1 343.515 3.052 20 0 EGADMP c1ccc(C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CC2)cc1 ZINC000268912134 455728214 /nfs/dbraw/zinc/72/82/14/455728214.db2.gz UCBHBOWAVBXKTD-FQEVSTJZSA-N 2 1 328.500 3.242 20 0 EGADMP CCOc1cc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc(Cl)c1OC ZINC000292691997 455732720 /nfs/dbraw/zinc/73/27/20/455732720.db2.gz BPJOJUYBDKUTSS-SFHVURJKSA-N 2 1 338.879 3.275 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000271725258 455736180 /nfs/dbraw/zinc/73/61/80/455736180.db2.gz RBXUQAMIFQRIJS-HNNXBMFYSA-N 2 1 331.287 3.491 20 0 EGADMP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000249744138 455772218 /nfs/dbraw/zinc/77/22/18/455772218.db2.gz BKDSTCHPAKNSSV-FGTMMUONSA-N 2 1 345.531 3.311 20 0 EGADMP CCn1cc(CC[N@H+]2CCC[C@H]2Cn2c(C)nc3ccccc32)cn1 ZINC000285077198 455786317 /nfs/dbraw/zinc/78/63/17/455786317.db2.gz PNAMDLXOTSBHSD-SFHVURJKSA-N 2 1 337.471 3.268 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)c(Br)c1 ZINC000271858646 455788863 /nfs/dbraw/zinc/78/88/63/455788863.db2.gz JWGHPFKKDDECDO-LLVKDONJSA-N 2 1 338.249 3.313 20 0 EGADMP Cc1c([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)nnn1-c1ccc(Cl)cc1 ZINC000271864705 455792109 /nfs/dbraw/zinc/79/21/09/455792109.db2.gz LDKRQWGPEQNIDO-ZDUSSCGKSA-N 2 1 345.878 3.142 20 0 EGADMP Cc1c([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)nnn1-c1ccc(Cl)cc1 ZINC000271864705 455792113 /nfs/dbraw/zinc/79/21/13/455792113.db2.gz LDKRQWGPEQNIDO-ZDUSSCGKSA-N 2 1 345.878 3.142 20 0 EGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000187164578 455876357 /nfs/dbraw/zinc/87/63/57/455876357.db2.gz GQQRFYMTBXZUGH-OAQYLSRUSA-N 2 1 331.548 3.117 20 0 EGADMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC000261468575 455905180 /nfs/dbraw/zinc/90/51/80/455905180.db2.gz WPPBIAHVBHTMCZ-FQEVSTJZSA-N 2 1 329.532 3.196 20 0 EGADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC000261468575 455905183 /nfs/dbraw/zinc/90/51/83/455905183.db2.gz WPPBIAHVBHTMCZ-FQEVSTJZSA-N 2 1 329.532 3.196 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000285786663 455916414 /nfs/dbraw/zinc/91/64/14/455916414.db2.gz UKLQZSJLPKXSTO-MSOLQXFVSA-N 2 1 341.503 3.430 20 0 EGADMP C[C@@H]1COCC[C@@H]1Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000195104907 455922558 /nfs/dbraw/zinc/92/25/58/455922558.db2.gz MUKKSINCLXJTQJ-UZLBHIALSA-N 2 1 331.504 3.302 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000261886492 455966036 /nfs/dbraw/zinc/96/60/36/455966036.db2.gz VGMLBBGRXSCEGO-PKOBYXMFSA-N 2 1 343.515 3.067 20 0 EGADMP COc1ccc(C[N@@H+](CCc2ccccn2)CC2CC[NH2+]CC2)cc1 ZINC000261928343 455973679 /nfs/dbraw/zinc/97/36/79/455973679.db2.gz LFCLCSONUJXYCW-UHFFFAOYSA-N 2 1 339.483 3.135 20 0 EGADMP CC[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000261961088 455978608 /nfs/dbraw/zinc/97/86/08/455978608.db2.gz PFVYQKUWFWOKJX-LJQANCHMSA-N 2 1 330.451 3.035 20 0 EGADMP CC[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000261961088 455978612 /nfs/dbraw/zinc/97/86/12/455978612.db2.gz PFVYQKUWFWOKJX-LJQANCHMSA-N 2 1 330.451 3.035 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272535376 455985793 /nfs/dbraw/zinc/98/57/93/455985793.db2.gz REJKRUFLZMEVEV-SCWSEQNSSA-N 2 1 342.458 3.359 20 0 EGADMP C[N@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000262050300 455989991 /nfs/dbraw/zinc/98/99/91/455989991.db2.gz ZNXAYKRSSUJIKF-UHFFFAOYSA-N 2 1 338.377 3.279 20 0 EGADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000262050300 455989995 /nfs/dbraw/zinc/98/99/95/455989995.db2.gz ZNXAYKRSSUJIKF-UHFFFAOYSA-N 2 1 338.377 3.279 20 0 EGADMP c1cnn(CCCCC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000280528813 455990206 /nfs/dbraw/zinc/99/02/06/455990206.db2.gz SGYNSBLCVQQGQR-OYRHEFFESA-N 2 1 338.499 3.117 20 0 EGADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000272588847 456004322 /nfs/dbraw/zinc/00/43/22/456004322.db2.gz RQXBOJWONGILBR-VNTMZGSJSA-N 2 1 340.467 3.122 20 0 EGADMP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2)C(C)C ZINC000286261003 456010831 /nfs/dbraw/zinc/01/08/31/456010831.db2.gz UXGPOCTZQRSKCD-OAHLLOKOSA-N 2 1 333.476 3.177 20 0 EGADMP CS[C@@H](CO)[C@@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286336866 456027063 /nfs/dbraw/zinc/02/70/63/456027063.db2.gz YDBHESDKOIHZBC-HJZRJOMTSA-N 2 1 336.545 3.132 20 0 EGADMP C[C@H](N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272665209 456031649 /nfs/dbraw/zinc/03/16/49/456031649.db2.gz SDAZVAITEQODCP-LCLWPZTBSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H](N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272665209 456031653 /nfs/dbraw/zinc/03/16/53/456031653.db2.gz SDAZVAITEQODCP-LCLWPZTBSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H](N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272665209 456031655 /nfs/dbraw/zinc/03/16/55/456031655.db2.gz SDAZVAITEQODCP-LCLWPZTBSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272665209 456031660 /nfs/dbraw/zinc/03/16/60/456031660.db2.gz SDAZVAITEQODCP-LCLWPZTBSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272665209 456031662 /nfs/dbraw/zinc/03/16/62/456031662.db2.gz SDAZVAITEQODCP-LCLWPZTBSA-N 2 1 327.516 3.112 20 0 EGADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272679697 456037397 /nfs/dbraw/zinc/03/73/97/456037397.db2.gz MSIKTZGLTJFNHN-SQEGATDGSA-N 2 1 330.516 3.284 20 0 EGADMP CC1CCN(C(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000262652827 456050601 /nfs/dbraw/zinc/05/06/01/456050601.db2.gz JWKPYGWPHQOLGH-RDJZCZTQSA-N 2 1 334.533 3.387 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccnc1Cl ZINC000272772242 456066309 /nfs/dbraw/zinc/06/63/09/456066309.db2.gz SWUUYZMQJIBRJC-PBHICJAKSA-N 2 1 345.874 3.152 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccnc1Cl ZINC000272772242 456066310 /nfs/dbraw/zinc/06/63/10/456066310.db2.gz SWUUYZMQJIBRJC-PBHICJAKSA-N 2 1 345.874 3.152 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)CC[N@H+]1C ZINC000280917154 456080902 /nfs/dbraw/zinc/08/09/02/456080902.db2.gz GYWCWQBWWZMRIQ-UKRRQHHQSA-N 2 1 330.394 3.243 20 0 EGADMP COCCCOc1cccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000271021420 456101038 /nfs/dbraw/zinc/10/10/38/456101038.db2.gz AVGBCVNRHSTVPG-UHFFFAOYSA-N 2 1 334.504 3.407 20 0 EGADMP COCCCOc1cccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000271021420 456101045 /nfs/dbraw/zinc/10/10/45/456101045.db2.gz AVGBCVNRHSTVPG-UHFFFAOYSA-N 2 1 334.504 3.407 20 0 EGADMP CSc1cc2c(cc1CN(C)C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)OCCO2 ZINC000289863731 456159094 /nfs/dbraw/zinc/15/90/94/456159094.db2.gz VLUZIWPYHZTUMC-XYPWUTKMSA-N 2 1 348.512 3.237 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2([NH3+])CCCC2)c1 ZINC000236828353 456190266 /nfs/dbraw/zinc/19/02/66/456190266.db2.gz AMHRMWFQHCNTLH-UHFFFAOYSA-N 2 1 326.444 3.265 20 0 EGADMP C[C@@H](NCc1ncccc1N(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289966745 456198580 /nfs/dbraw/zinc/19/85/80/456198580.db2.gz XEQFXEKMJMDEPC-IEBWSBKVSA-N 2 1 338.499 3.148 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCCO1 ZINC000281383507 456218540 /nfs/dbraw/zinc/21/85/40/456218540.db2.gz WICVFVCJIYZMCN-FQEVSTJZSA-N 2 1 345.531 3.218 20 0 EGADMP COCCC1(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCCCC1 ZINC000189093455 456223930 /nfs/dbraw/zinc/22/39/30/456223930.db2.gz YTCNZKMZHIYVBM-KDURUIRLSA-N 2 1 340.552 3.452 20 0 EGADMP CCOc1c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(C)nn1CC(C)C ZINC000237047814 456224692 /nfs/dbraw/zinc/22/46/92/456224692.db2.gz JBNOWYXHXQBYLV-HNNXBMFYSA-N 2 1 347.507 3.177 20 0 EGADMP CC[NH+]1CCC(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000290177231 456260336 /nfs/dbraw/zinc/26/03/36/456260336.db2.gz NDLUYOPIANNBRI-FQEVSTJZSA-N 2 1 329.532 3.363 20 0 EGADMP CC[NH+]1CCC([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000290177231 456260338 /nfs/dbraw/zinc/26/03/38/456260338.db2.gz NDLUYOPIANNBRI-FQEVSTJZSA-N 3 1 329.532 3.363 20 0 EGADMP CC[NH+]1CCC([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000290177231 456260342 /nfs/dbraw/zinc/26/03/42/456260342.db2.gz NDLUYOPIANNBRI-FQEVSTJZSA-N 3 1 329.532 3.363 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc(Cl)c1O ZINC000297739922 456284806 /nfs/dbraw/zinc/28/48/06/456284806.db2.gz SXDAUACPHBBZKL-KGLIPLIRSA-N 2 1 326.868 3.407 20 0 EGADMP COc1cccc(C[N@H+](Cc2ccccc2)C2CCN(C)CC2)n1 ZINC000290326456 456292020 /nfs/dbraw/zinc/29/20/20/456292020.db2.gz DIZQADLHQGIKTF-UHFFFAOYSA-N 2 1 325.456 3.187 20 0 EGADMP COc1cccc(C[N@@H+](Cc2ccccc2)C2CCN(C)CC2)n1 ZINC000290326456 456292027 /nfs/dbraw/zinc/29/20/27/456292027.db2.gz DIZQADLHQGIKTF-UHFFFAOYSA-N 2 1 325.456 3.187 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2COc3ccccc3O2)C[C@@H]1c1ccccc1 ZINC000340176046 456293311 /nfs/dbraw/zinc/29/33/11/456293311.db2.gz ALRVORSXIVQAIE-GBESFXJTSA-N 2 1 338.451 3.252 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2COc3ccccc3O2)C[C@@H]1c1ccccc1 ZINC000340176046 456293317 /nfs/dbraw/zinc/29/33/17/456293317.db2.gz ALRVORSXIVQAIE-GBESFXJTSA-N 2 1 338.451 3.252 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)s1 ZINC000352792068 456312975 /nfs/dbraw/zinc/31/29/75/456312975.db2.gz QYTMYMIGXOWOOB-BBRMVZONSA-N 2 1 325.522 3.136 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000297946284 456331127 /nfs/dbraw/zinc/33/11/27/456331127.db2.gz VLXCHNMYGLPVNT-OALUTQOASA-N 2 1 345.531 3.075 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000297946284 456331134 /nfs/dbraw/zinc/33/11/34/456331134.db2.gz VLXCHNMYGLPVNT-OALUTQOASA-N 2 1 345.531 3.075 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000297946284 456331139 /nfs/dbraw/zinc/33/11/39/456331139.db2.gz VLXCHNMYGLPVNT-OALUTQOASA-N 2 1 345.531 3.075 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000297946284 456331142 /nfs/dbraw/zinc/33/11/42/456331142.db2.gz VLXCHNMYGLPVNT-OALUTQOASA-N 2 1 345.531 3.075 20 0 EGADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340247947 456340989 /nfs/dbraw/zinc/34/09/89/456340989.db2.gz SDWGPTLSWWKAHJ-NYSBEXSLSA-N 2 1 340.515 3.393 20 0 EGADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340247947 456340995 /nfs/dbraw/zinc/34/09/95/456340995.db2.gz SDWGPTLSWWKAHJ-NYSBEXSLSA-N 2 1 340.515 3.393 20 0 EGADMP CCOC(=O)CCCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352831680 456346362 /nfs/dbraw/zinc/34/63/62/456346362.db2.gz MPARWKQNJZBFIB-OAQYLSRUSA-N 2 1 344.499 3.318 20 0 EGADMP CCOC(=O)CCCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352831680 456346370 /nfs/dbraw/zinc/34/63/70/456346370.db2.gz MPARWKQNJZBFIB-OAQYLSRUSA-N 2 1 344.499 3.318 20 0 EGADMP CCOC(=O)CCCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352831680 456346379 /nfs/dbraw/zinc/34/63/79/456346379.db2.gz MPARWKQNJZBFIB-OAQYLSRUSA-N 2 1 344.499 3.318 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCCC13CCOCC3)C2 ZINC000282091206 456410527 /nfs/dbraw/zinc/41/05/27/456410527.db2.gz IEMOQNMXWDLBMU-HXUWFJFHSA-N 2 1 328.500 3.374 20 0 EGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCCC13CCOCC3)C2 ZINC000282091206 456410532 /nfs/dbraw/zinc/41/05/32/456410532.db2.gz IEMOQNMXWDLBMU-HXUWFJFHSA-N 2 1 328.500 3.374 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000290721865 456413885 /nfs/dbraw/zinc/41/38/85/456413885.db2.gz OSLUZWGIICLOAX-GFCCVEGCSA-N 2 1 337.265 3.480 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@](C)(O)C(F)(F)F)CC1 ZINC000282144958 456423848 /nfs/dbraw/zinc/42/38/48/456423848.db2.gz ZWVIIFSYZHBONG-KRWDZBQOSA-N 2 1 344.421 3.144 20 0 EGADMP CSC1(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CCC1 ZINC000290804716 456434656 /nfs/dbraw/zinc/43/46/56/456434656.db2.gz FOWFFHVZDSZSBI-INIZCTEOSA-N 2 1 334.529 3.283 20 0 EGADMP CSC1(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CCC1 ZINC000290804716 456434665 /nfs/dbraw/zinc/43/46/65/456434665.db2.gz FOWFFHVZDSZSBI-INIZCTEOSA-N 2 1 334.529 3.283 20 0 EGADMP c1ccc(C[NH+]2CCC(C[NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000298359892 456435586 /nfs/dbraw/zinc/43/55/86/456435586.db2.gz KDASZVPKHWENOZ-UHFFFAOYSA-N 3 1 327.516 3.115 20 0 EGADMP C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348009427 456436371 /nfs/dbraw/zinc/43/63/71/456436371.db2.gz OJNTZMIFMJOKSB-LDQXTDLNSA-N 2 1 342.458 3.359 20 0 EGADMP C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348009427 456436374 /nfs/dbraw/zinc/43/63/74/456436374.db2.gz OJNTZMIFMJOKSB-LDQXTDLNSA-N 2 1 342.458 3.359 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)[C@H]1SC ZINC000298475413 456467878 /nfs/dbraw/zinc/46/78/78/456467878.db2.gz PCNJYLDWZZESNE-VAMGGRTRSA-N 2 1 348.556 3.458 20 0 EGADMP CCOc1cc(CCC[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OC ZINC000298507848 456476069 /nfs/dbraw/zinc/47/60/69/456476069.db2.gz QVDPZJKAZJAHHF-UHFFFAOYSA-N 2 1 332.488 3.243 20 0 EGADMP Cc1ccoc1C[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000343270206 456498602 /nfs/dbraw/zinc/49/86/02/456498602.db2.gz MPWFXUPEKQZUGF-IBGZPJMESA-N 2 1 327.472 3.056 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000298621928 456502815 /nfs/dbraw/zinc/50/28/15/456502815.db2.gz PFIWOURJAIJSTQ-IXDOHACOSA-N 2 1 347.503 3.135 20 0 EGADMP CCOC(CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OCC ZINC000276530612 456507922 /nfs/dbraw/zinc/50/79/22/456507922.db2.gz NPLXJLSCXUPTKZ-MJGOQNOKSA-N 2 1 334.504 3.418 20 0 EGADMP CCOC(CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OCC ZINC000276530612 456507925 /nfs/dbraw/zinc/50/79/25/456507925.db2.gz NPLXJLSCXUPTKZ-MJGOQNOKSA-N 2 1 334.504 3.418 20 0 EGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000340523438 456508248 /nfs/dbraw/zinc/50/82/48/456508248.db2.gz DEHHOONHSPMSPJ-UYAOXDASSA-N 2 1 328.504 3.408 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000282466257 456524478 /nfs/dbraw/zinc/52/44/78/456524478.db2.gz OZTAOGZXQYIFLJ-MISYRCLQSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000282466257 456524481 /nfs/dbraw/zinc/52/44/81/456524481.db2.gz OZTAOGZXQYIFLJ-MISYRCLQSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000282466257 456524486 /nfs/dbraw/zinc/52/44/86/456524486.db2.gz OZTAOGZXQYIFLJ-MISYRCLQSA-N 2 1 329.532 3.359 20 0 EGADMP C[N@H+]1CCC[C@H]1CCN1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187920 456524752 /nfs/dbraw/zinc/52/47/52/456524752.db2.gz QJUKWVSUVJPKRZ-FCHUYYIVSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC[C@H]1CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000348187920 456524756 /nfs/dbraw/zinc/52/47/56/456524756.db2.gz QJUKWVSUVJPKRZ-FCHUYYIVSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC[C@H]1CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000348187920 456524761 /nfs/dbraw/zinc/52/47/61/456524761.db2.gz QJUKWVSUVJPKRZ-FCHUYYIVSA-N 2 1 341.543 3.459 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CCO)C2CCOCC2)cc1 ZINC000348232262 456554512 /nfs/dbraw/zinc/55/45/12/456554512.db2.gz QRGHFEHTQMVHQE-FOIQADDNSA-N 2 1 343.471 3.009 20 0 EGADMP CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000348232255 456554924 /nfs/dbraw/zinc/55/49/24/456554924.db2.gz QPSJAWZKQSTHCV-ZOCIIQOWSA-N 2 1 329.444 3.025 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N2CCCc3ccccc32)C[C@@H]1C ZINC000348254720 456573772 /nfs/dbraw/zinc/57/37/72/456573772.db2.gz FTQJAMGEKCZALA-HKUYNNGSSA-N 2 1 343.515 3.161 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N2CCCc3ccccc32)C[C@@H]1C ZINC000348254720 456573777 /nfs/dbraw/zinc/57/37/77/456573777.db2.gz FTQJAMGEKCZALA-HKUYNNGSSA-N 2 1 343.515 3.161 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N2CCCc3ccccc32)C[C@@H]1C ZINC000348254720 456573782 /nfs/dbraw/zinc/57/37/82/456573782.db2.gz FTQJAMGEKCZALA-HKUYNNGSSA-N 2 1 343.515 3.161 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC1 ZINC000310051947 456577680 /nfs/dbraw/zinc/57/76/80/456577680.db2.gz MUPNQIGOUGWVER-QGZVFWFLSA-N 2 1 339.524 3.144 20 0 EGADMP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OCCC(C)C ZINC000340673760 456614726 /nfs/dbraw/zinc/61/47/26/456614726.db2.gz CNLOYTXMPBBZAU-FQEVSTJZSA-N 2 1 332.488 3.306 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OCCC(C)C ZINC000340673760 456614730 /nfs/dbraw/zinc/61/47/30/456614730.db2.gz CNLOYTXMPBBZAU-FQEVSTJZSA-N 2 1 332.488 3.306 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000337948356 456617956 /nfs/dbraw/zinc/61/79/56/456617956.db2.gz CGDOBSAGQFTKCJ-UHFFFAOYSA-N 2 1 345.340 3.452 20 0 EGADMP CC(C)Oc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000348323126 456621772 /nfs/dbraw/zinc/62/17/72/456621772.db2.gz JJKSHEBZRLMBKZ-UXPWSPDFSA-N 2 1 333.520 3.006 20 0 EGADMP COc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1OC(F)F ZINC000320778577 456633462 /nfs/dbraw/zinc/63/34/62/456633462.db2.gz IRZQEUMUZFFXHG-CYBMUJFWSA-N 2 1 328.403 3.117 20 0 EGADMP COc1cccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1OC(F)F ZINC000320778577 456633466 /nfs/dbraw/zinc/63/34/66/456633466.db2.gz IRZQEUMUZFFXHG-CYBMUJFWSA-N 2 1 328.403 3.117 20 0 EGADMP CN(c1ccccc1C[N@@H+](C)CC[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000343492945 456657657 /nfs/dbraw/zinc/65/76/57/456657657.db2.gz OIKYXIWQCYKEED-HXUWFJFHSA-N 2 1 345.531 3.218 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)[C@H](C)C1 ZINC000277032503 456659763 /nfs/dbraw/zinc/65/97/63/456659763.db2.gz FJVRGAFBXMPUGQ-UMSONDCASA-N 2 1 348.506 3.219 20 0 EGADMP CCN1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000343497162 456660121 /nfs/dbraw/zinc/66/01/21/456660121.db2.gz JYIZNRVHWYGSLO-WFXMLNOXSA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@H+]1C[C@H](NCc2ccccc2C[NH+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000343497162 456660127 /nfs/dbraw/zinc/66/01/27/456660127.db2.gz JYIZNRVHWYGSLO-WFXMLNOXSA-N 2 1 329.532 3.348 20 0 EGADMP CC[N@@H+]1C[C@H](NCc2ccccc2C[NH+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000343497162 456660133 /nfs/dbraw/zinc/66/01/33/456660133.db2.gz JYIZNRVHWYGSLO-WFXMLNOXSA-N 2 1 329.532 3.348 20 0 EGADMP CC[NH+]1C[C@H](NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000343497162 456660143 /nfs/dbraw/zinc/66/01/43/456660143.db2.gz JYIZNRVHWYGSLO-WFXMLNOXSA-N 2 1 329.532 3.348 20 0 EGADMP CC[NH+]1C[C@H](NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000343497162 456660150 /nfs/dbraw/zinc/66/01/50/456660150.db2.gz JYIZNRVHWYGSLO-WFXMLNOXSA-N 2 1 329.532 3.348 20 0 EGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000324677031 456672723 /nfs/dbraw/zinc/67/27/23/456672723.db2.gz PVZWCPWQLYTEJN-LJQANCHMSA-N 2 1 331.504 3.045 20 0 EGADMP C[C@H]([NH2+][C@@H]1COc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000328215129 456710790 /nfs/dbraw/zinc/71/07/90/456710790.db2.gz JSFYFQYHGSHHAB-YYWHXJBOSA-N 2 1 336.479 3.490 20 0 EGADMP C[NH+](C)CCOC1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000353518057 456731853 /nfs/dbraw/zinc/73/18/53/456731853.db2.gz KMGFGEJMRCEFKL-UHFFFAOYSA-N 2 1 347.322 3.053 20 0 EGADMP C[NH+](C)CCOC1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000353521950 456732889 /nfs/dbraw/zinc/73/28/89/456732889.db2.gz SUKNXLDWMIDCDZ-UHFFFAOYSA-N 2 1 348.384 3.387 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(F)cc2C(F)(F)F)CCCO1 ZINC000277250253 456744505 /nfs/dbraw/zinc/74/45/05/456744505.db2.gz ABAGEFFQEQZUGR-CYBMUJFWSA-N 2 1 348.384 3.435 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(F)cc2C(F)(F)F)CCCO1 ZINC000277250253 456744508 /nfs/dbraw/zinc/74/45/08/456744508.db2.gz ABAGEFFQEQZUGR-CYBMUJFWSA-N 2 1 348.384 3.435 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000283371391 456766958 /nfs/dbraw/zinc/76/69/58/456766958.db2.gz SIPXWUMIHQQZPN-IBGZPJMESA-N 2 1 333.495 3.031 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000291969396 456814142 /nfs/dbraw/zinc/81/41/42/456814142.db2.gz RYXNYDIPMPWCJQ-OIISXLGYSA-N 2 1 342.405 3.155 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000291969396 456814156 /nfs/dbraw/zinc/81/41/56/456814156.db2.gz RYXNYDIPMPWCJQ-OIISXLGYSA-N 2 1 342.405 3.155 20 0 EGADMP Cc1nccn1CCC[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000348756632 456842703 /nfs/dbraw/zinc/84/27/03/456842703.db2.gz PQYGDXDRTFKCHP-NHCUHLMSSA-N 2 1 340.515 3.254 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000348756632 456842709 /nfs/dbraw/zinc/84/27/09/456842709.db2.gz PQYGDXDRTFKCHP-NHCUHLMSSA-N 3 1 340.515 3.254 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000348756632 456842715 /nfs/dbraw/zinc/84/27/15/456842715.db2.gz PQYGDXDRTFKCHP-NHCUHLMSSA-N 3 1 340.515 3.254 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(OC)c(OC)cc2OC)C[C@H]1C ZINC000353752085 456890339 /nfs/dbraw/zinc/89/03/39/456890339.db2.gz ZWTRDRUSUCXPFK-GDBMZVCRSA-N 2 1 336.476 3.017 20 0 EGADMP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1nccn1C ZINC000341691769 456902208 /nfs/dbraw/zinc/90/22/08/456902208.db2.gz BAWXJVUPGBGOPA-LJQANCHMSA-N 2 1 342.487 3.136 20 0 EGADMP C[C@H]1C[N@@H+](Cc2coc3ccccc23)CCN1C1CC[NH+](C)CC1 ZINC000349310238 456938212 /nfs/dbraw/zinc/93/82/12/456938212.db2.gz ACSGHBIVQURJJH-INIZCTEOSA-N 2 1 327.472 3.033 20 0 EGADMP CC[N@H+]1CC[C@H](N[C@H](CC[NH+](C)CCOC)c2ccccc2)[C@H](C)C1 ZINC000345155691 456945922 /nfs/dbraw/zinc/94/59/22/456945922.db2.gz CTFJDFGVRLDDJY-HLAWJBBLSA-N 2 1 347.547 3.016 20 0 EGADMP CC[NH+]1CC[C@H](N[C@H](CC[N@H+](C)CCOC)c2ccccc2)[C@H](C)C1 ZINC000345155691 456945924 /nfs/dbraw/zinc/94/59/24/456945924.db2.gz CTFJDFGVRLDDJY-HLAWJBBLSA-N 2 1 347.547 3.016 20 0 EGADMP CC[NH+]1CC[C@H](N[C@H](CC[N@@H+](C)CCOC)c2ccccc2)[C@H](C)C1 ZINC000345155691 456945925 /nfs/dbraw/zinc/94/59/25/456945925.db2.gz CTFJDFGVRLDDJY-HLAWJBBLSA-N 2 1 347.547 3.016 20 0 EGADMP Cc1nc(COc2ccc(C[NH2+]CC3=CC[N@@H+](C)CC3)cc2)cs1 ZINC000345180526 456955401 /nfs/dbraw/zinc/95/54/01/456955401.db2.gz YINANOMVZAXKQD-UHFFFAOYSA-N 2 1 343.496 3.382 20 0 EGADMP c1cc2c(nc[nH+]c2NCc2ccc(C[NH+]3CCCCCC3)cc2)[nH]1 ZINC000339136022 456957928 /nfs/dbraw/zinc/95/79/28/456957928.db2.gz SRBBWNKNCLBRQH-UHFFFAOYSA-N 2 1 335.455 3.368 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000349411420 456964746 /nfs/dbraw/zinc/96/47/46/456964746.db2.gz WWNGKFQFDFMZLW-UHFFFAOYSA-N 2 1 335.883 3.084 20 0 EGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000339233446 457007171 /nfs/dbraw/zinc/00/71/71/457007171.db2.gz CFGWOGWEQGISNF-RYQLBKOJSA-N 2 1 335.492 3.319 20 0 EGADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc2c(s1)C[C@H](C)CC2 ZINC000354057580 457035718 /nfs/dbraw/zinc/03/57/18/457035718.db2.gz XAACBXOWWMQEQH-HIFRSBDPSA-N 2 1 330.501 3.437 20 0 EGADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc2c(s1)C[C@H](C)CC2 ZINC000354057580 457035724 /nfs/dbraw/zinc/03/57/24/457035724.db2.gz XAACBXOWWMQEQH-HIFRSBDPSA-N 2 1 330.501 3.437 20 0 EGADMP CC[C@H](C(=O)N(C)[C@@H]1CC[NH+](CC)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000339280521 457037602 /nfs/dbraw/zinc/03/76/02/457037602.db2.gz HCGAKHQJVRLVMQ-MISYRCLQSA-N 2 1 345.531 3.086 20 0 EGADMP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000339280521 457037610 /nfs/dbraw/zinc/03/76/10/457037610.db2.gz HCGAKHQJVRLVMQ-MISYRCLQSA-N 2 1 345.531 3.086 20 0 EGADMP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000339280521 457037616 /nfs/dbraw/zinc/03/76/16/457037616.db2.gz HCGAKHQJVRLVMQ-MISYRCLQSA-N 2 1 345.531 3.086 20 0 EGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000359206375 457063103 /nfs/dbraw/zinc/06/31/03/457063103.db2.gz HOPCPLJVNACOPX-IRXDYDNUSA-N 2 1 343.298 3.273 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@H]3CCCO3)CC2)cs1 ZINC000346607239 457074085 /nfs/dbraw/zinc/07/40/85/457074085.db2.gz OMXQEUYAAMEOGO-WMLDXEAASA-N 2 1 337.533 3.075 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@H]3CCCO3)CC2)cs1 ZINC000346607237 457074247 /nfs/dbraw/zinc/07/42/47/457074247.db2.gz OMXQEUYAAMEOGO-PBHICJAKSA-N 2 1 337.533 3.075 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3cccc4ccccc43)C[C@H]21 ZINC000342105128 457110944 /nfs/dbraw/zinc/11/09/44/457110944.db2.gz NVELNBXHOIJXPR-QXAKKESOSA-N 2 1 337.467 3.228 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000342107288 457111904 /nfs/dbraw/zinc/11/19/04/457111904.db2.gz PSLAZKYOOITLQJ-JBDAPHQKSA-N 2 1 343.515 3.092 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342117616 457118075 /nfs/dbraw/zinc/11/80/75/457118075.db2.gz GOLDWIAYGIEGPB-QZHFEQFPSA-N 2 1 343.515 3.198 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342117616 457118076 /nfs/dbraw/zinc/11/80/76/457118076.db2.gz GOLDWIAYGIEGPB-QZHFEQFPSA-N 2 1 343.515 3.198 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C(C)=O)cc2)C[C@@H]1C ZINC000354210415 457132921 /nfs/dbraw/zinc/13/29/21/457132921.db2.gz UAQJIQYDZNINEZ-KXBFYZLASA-N 2 1 345.487 3.022 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C(C)=O)cc2)C[C@@H]1C ZINC000354210415 457132924 /nfs/dbraw/zinc/13/29/24/457132924.db2.gz UAQJIQYDZNINEZ-KXBFYZLASA-N 2 1 345.487 3.022 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(C(C)=O)cc2)C[C@@H]1C ZINC000354210415 457132928 /nfs/dbraw/zinc/13/29/28/457132928.db2.gz UAQJIQYDZNINEZ-KXBFYZLASA-N 2 1 345.487 3.022 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C(C)=O)cc2)C[C@@H]1C ZINC000354210415 457132935 /nfs/dbraw/zinc/13/29/35/457132935.db2.gz UAQJIQYDZNINEZ-KXBFYZLASA-N 2 1 345.487 3.022 20 0 EGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21)c1ccccc1 ZINC000354254182 457157440 /nfs/dbraw/zinc/15/74/40/457157440.db2.gz KAVJHURZLQZWDE-RDJZCZTQSA-N 2 1 340.471 3.006 20 0 EGADMP CC(C)N(C)c1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000359963868 457174864 /nfs/dbraw/zinc/17/48/64/457174864.db2.gz NZTKEOBWTTUJBM-ROUUACIJSA-N 2 1 332.536 3.384 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000356861671 457184254 /nfs/dbraw/zinc/18/42/54/457184254.db2.gz HTKZLCKPJOBFLY-GXTWGEPZSA-N 2 1 346.393 3.066 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356871755 457189673 /nfs/dbraw/zinc/18/96/73/457189673.db2.gz OYEFEZDJLCWKBG-HNNXBMFYSA-N 2 1 335.458 3.113 20 0 EGADMP C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000360001086 457195031 /nfs/dbraw/zinc/19/50/31/457195031.db2.gz NUZIVXDPIIXGMQ-FQEVSTJZSA-N 2 1 337.467 3.351 20 0 EGADMP C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000360001086 457195037 /nfs/dbraw/zinc/19/50/37/457195037.db2.gz NUZIVXDPIIXGMQ-FQEVSTJZSA-N 2 1 337.467 3.351 20 0 EGADMP CCc1cccnc1[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000356884228 457196732 /nfs/dbraw/zinc/19/67/32/457196732.db2.gz WIXRDEYPFBYOST-OAHLLOKOSA-N 2 1 339.487 3.370 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347062637 457211489 /nfs/dbraw/zinc/21/14/89/457211489.db2.gz ZZSJQLSJONHQLP-OXQOHEQNSA-N 2 1 340.515 3.416 20 0 EGADMP C[C@@H]1CCCN1C(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000357007434 457271796 /nfs/dbraw/zinc/27/17/96/457271796.db2.gz DAFZFGGPVLPMCJ-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH2+]CC1CC[NH+](Cc2ccc(Br)cc2OC)CC1 ZINC000347192430 457280714 /nfs/dbraw/zinc/28/07/14/457280714.db2.gz GAAGDBTUDMFNHX-UHFFFAOYSA-N 2 1 341.293 3.279 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)cs1 ZINC000357039886 457293207 /nfs/dbraw/zinc/29/32/07/457293207.db2.gz BCBBLUBBPVJWIL-DLBZAZTESA-N 2 1 343.496 3.072 20 0 EGADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)cs1 ZINC000357039886 457293216 /nfs/dbraw/zinc/29/32/16/457293216.db2.gz BCBBLUBBPVJWIL-DLBZAZTESA-N 2 1 343.496 3.072 20 0 EGADMP CC[N@H+](CCC1CC[NH+](CC(=O)c2cccn2C)CC1)CC1CC1 ZINC000357091068 457316839 /nfs/dbraw/zinc/31/68/39/457316839.db2.gz WDENMLSKUUPDFH-UHFFFAOYSA-N 2 1 331.504 3.042 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)c2cccn2C)CC1)CC1CC1 ZINC000357091068 457316845 /nfs/dbraw/zinc/31/68/45/457316845.db2.gz WDENMLSKUUPDFH-UHFFFAOYSA-N 2 1 331.504 3.042 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352478090 457398709 /nfs/dbraw/zinc/39/87/09/457398709.db2.gz RYGKPGWMMPBFTA-WMLDXEAASA-N 2 1 337.895 3.063 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352478090 457398715 /nfs/dbraw/zinc/39/87/15/457398715.db2.gz RYGKPGWMMPBFTA-WMLDXEAASA-N 2 1 337.895 3.063 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1 ZINC000357314269 457439547 /nfs/dbraw/zinc/43/95/47/457439547.db2.gz YROSYUXVWHQHGO-FRQCXROJSA-N 2 1 331.504 3.035 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)cc(=O)oc2c1 ZINC000374073793 457468572 /nfs/dbraw/zinc/46/85/72/457468572.db2.gz DNIITJSBRHXLGA-UHFFFAOYSA-N 2 1 340.467 3.409 20 0 EGADMP Fc1ccc(Br)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000394022523 457469636 /nfs/dbraw/zinc/46/96/36/457469636.db2.gz DFOBTUTUNYYHMJ-TXEJJXNPSA-N 2 1 327.241 3.020 20 0 EGADMP C[C@@H]1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000347527568 457486153 /nfs/dbraw/zinc/48/61/53/457486153.db2.gz RZSCPPUETQZZCH-QGZVFWFLSA-N 2 1 349.478 3.026 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000399107835 457506790 /nfs/dbraw/zinc/50/67/90/457506790.db2.gz YGCIOXSIEAYETO-BBWFWOEESA-N 2 1 339.524 3.094 20 0 EGADMP CCCCCC[C@@H](C)CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364204996 457526179 /nfs/dbraw/zinc/52/61/79/457526179.db2.gz DJKXSDKNGFLGNL-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000356272690 457557527 /nfs/dbraw/zinc/55/75/27/457557527.db2.gz WLAMBEDNBKGEEI-ICSRJNTNSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCSC3CCCCC3)C2)CC1 ZINC000374278222 457563302 /nfs/dbraw/zinc/56/33/02/457563302.db2.gz DQIFXVPCJCYKHZ-SFHVURJKSA-N 2 1 339.593 3.153 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccccc2OC(F)F)s1 ZINC000352740111 457572272 /nfs/dbraw/zinc/57/22/72/457572272.db2.gz UFNLOPJOQPILQU-UHFFFAOYSA-N 2 1 341.427 3.138 20 0 EGADMP CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000357532749 457583087 /nfs/dbraw/zinc/58/30/87/457583087.db2.gz VKOKEVPTFCWQSC-PXNSSMCTSA-N 2 1 343.515 3.162 20 0 EGADMP CCCCCC(C)(C)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364412134 457596428 /nfs/dbraw/zinc/59/64/28/457596428.db2.gz ZLEVDQFLUBZFIX-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000364450150 457608742 /nfs/dbraw/zinc/60/87/42/457608742.db2.gz UPSXPTWMUOIQJF-IPELMVKDSA-N 2 1 344.503 3.494 20 0 EGADMP Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c2cc(Cl)cc(C)c2[nH+]1 ZINC000357594482 457613154 /nfs/dbraw/zinc/61/31/54/457613154.db2.gz FHUWNWQUJZPZCQ-SJORKVTESA-N 2 1 331.847 3.024 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000357611007 457621171 /nfs/dbraw/zinc/62/11/71/457621171.db2.gz UONURZUDWUHOCX-MJGOQNOKSA-N 2 1 348.535 3.097 20 0 EGADMP CSC1(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CCC1 ZINC000356438116 457625535 /nfs/dbraw/zinc/62/55/35/457625535.db2.gz MDMLTJUQNJFAKS-SFHVURJKSA-N 2 1 334.529 3.019 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CCc2c1cc(Br)cc2F)C[NH+](C)C ZINC000425943114 457657157 /nfs/dbraw/zinc/65/71/57/457657157.db2.gz PSGKDHCMYSIXLB-MEBBXXQBSA-N 2 1 329.257 3.363 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC[N@@H+]1C ZINC000370616198 457682549 /nfs/dbraw/zinc/68/25/49/457682549.db2.gz PPBHPBXUSNPDEC-KBMXLJTQSA-N 2 1 341.421 3.356 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC[N@H+]1C ZINC000370616198 457682551 /nfs/dbraw/zinc/68/25/51/457682551.db2.gz PPBHPBXUSNPDEC-KBMXLJTQSA-N 2 1 341.421 3.356 20 0 EGADMP C[N@@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364797975 457695190 /nfs/dbraw/zinc/69/51/90/457695190.db2.gz ITLCNRWLUZCOGE-INIZCTEOSA-N 2 1 339.886 3.079 20 0 EGADMP COCCC1([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCC1 ZINC000361434640 457730857 /nfs/dbraw/zinc/73/08/57/457730857.db2.gz FTMSQVMRLLSJQC-UHFFFAOYSA-N 2 1 334.479 3.381 20 0 EGADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000361523986 457769526 /nfs/dbraw/zinc/76/95/26/457769526.db2.gz IBIZMOTXKRAFAJ-QUCCMNQESA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)C1CCC([N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000433182580 457770613 /nfs/dbraw/zinc/77/06/13/457770613.db2.gz OIUHEGBJYLEFTR-UHFFFAOYSA-N 2 1 337.552 3.122 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1O ZINC000426404788 457823348 /nfs/dbraw/zinc/82/33/48/457823348.db2.gz JRZMYLCYBYAJGI-ULQDDVLXSA-N 2 1 334.504 3.432 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1O ZINC000426404788 457823356 /nfs/dbraw/zinc/82/33/56/457823356.db2.gz JRZMYLCYBYAJGI-ULQDDVLXSA-N 2 1 334.504 3.432 20 0 EGADMP Cc1ccc2ncc(C[N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cc2c1 ZINC000411245618 457839704 /nfs/dbraw/zinc/83/97/04/457839704.db2.gz PIOUFJRSCRELHQ-QGZVFWFLSA-N 2 1 341.499 3.068 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000371310483 457859325 /nfs/dbraw/zinc/85/93/25/457859325.db2.gz LGTFZTIRIJWFCX-INIZCTEOSA-N 2 1 348.516 3.071 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc([C@@H]4C[C@H]4C)o3)C2)CC1 ZINC000371333655 457871520 /nfs/dbraw/zinc/87/15/20/457871520.db2.gz FBCDZAWOFYAZLS-ZIFCJYIRSA-N 2 1 331.504 3.003 20 0 EGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000358248812 457885776 /nfs/dbraw/zinc/88/57/76/457885776.db2.gz IBIRECPCGKXGBI-OXQOHEQNSA-N 2 1 337.467 3.369 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000358248812 457885781 /nfs/dbraw/zinc/88/57/81/457885781.db2.gz IBIRECPCGKXGBI-OXQOHEQNSA-N 2 1 337.467 3.369 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000361824752 457887667 /nfs/dbraw/zinc/88/76/67/457887667.db2.gz GLPOODSMWPUAEF-IBGZPJMESA-N 2 1 326.488 3.487 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000361824752 457887673 /nfs/dbraw/zinc/88/76/73/457887673.db2.gz GLPOODSMWPUAEF-IBGZPJMESA-N 2 1 326.488 3.487 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000361824752 457887679 /nfs/dbraw/zinc/88/76/79/457887679.db2.gz GLPOODSMWPUAEF-IBGZPJMESA-N 2 1 326.488 3.487 20 0 EGADMP CCC[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000358252254 457889412 /nfs/dbraw/zinc/88/94/12/457889412.db2.gz LNPHERHEFGRVJK-HZPDHXFCSA-N 2 1 331.287 3.491 20 0 EGADMP CCC[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(Cl)cc1Cl ZINC000358252254 457889418 /nfs/dbraw/zinc/88/94/18/457889418.db2.gz LNPHERHEFGRVJK-HZPDHXFCSA-N 2 1 331.287 3.491 20 0 EGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000358257628 457892525 /nfs/dbraw/zinc/89/25/25/457892525.db2.gz SFSWIGIMHOYXBM-OXJNMPFZSA-N 2 1 326.440 3.196 20 0 EGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000358257628 457892528 /nfs/dbraw/zinc/89/25/28/457892528.db2.gz SFSWIGIMHOYXBM-OXJNMPFZSA-N 2 1 326.440 3.196 20 0 EGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCOc3ccccc3)CC2)C[C@H](C)O1 ZINC000426795788 457904652 /nfs/dbraw/zinc/90/46/52/457904652.db2.gz YONPAHNWBFVTEB-KDURUIRLSA-N 2 1 346.515 3.277 20 0 EGADMP COC(=O)c1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000411520504 457909151 /nfs/dbraw/zinc/90/91/51/457909151.db2.gz WCFCYIWRMVTTOH-DZGCQCFKSA-N 2 1 336.501 3.277 20 0 EGADMP COC(=O)c1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC000411520504 457909160 /nfs/dbraw/zinc/90/91/60/457909160.db2.gz WCFCYIWRMVTTOH-DZGCQCFKSA-N 2 1 336.501 3.277 20 0 EGADMP c1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444609181 457917683 /nfs/dbraw/zinc/91/76/83/457917683.db2.gz ALAGWXTUZRJIGO-SFHVURJKSA-N 2 1 326.488 3.377 20 0 EGADMP O[C@]1(C[NH2+][C@H]2CCCc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000361877805 457924491 /nfs/dbraw/zinc/92/44/91/457924491.db2.gz SQTOCIOEDLBDPO-VXKWHMMOSA-N 2 1 336.479 3.291 20 0 EGADMP O[C@]1(C[NH2+][C@H]2CCCc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000361877805 457924498 /nfs/dbraw/zinc/92/44/98/457924498.db2.gz SQTOCIOEDLBDPO-VXKWHMMOSA-N 2 1 336.479 3.291 20 0 EGADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361892584 457936840 /nfs/dbraw/zinc/93/68/40/457936840.db2.gz WLYUPAQSCMCAGA-FCHUYYIVSA-N 2 1 336.479 3.209 20 0 EGADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361892584 457936847 /nfs/dbraw/zinc/93/68/47/457936847.db2.gz WLYUPAQSCMCAGA-FCHUYYIVSA-N 2 1 336.479 3.209 20 0 EGADMP Cc1cccc(NCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000358408872 457984672 /nfs/dbraw/zinc/98/46/72/457984672.db2.gz VLSWSIUCMNYUIB-UHFFFAOYSA-N 2 1 338.499 3.099 20 0 EGADMP Cc1ccc([C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C2CCC2)cc1 ZINC000427694823 458023929 /nfs/dbraw/zinc/02/39/29/458023929.db2.gz DVNHNZOLWFCPCI-UXHICEINSA-N 2 1 343.515 3.013 20 0 EGADMP CC(C)(C)OC(=O)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434683283 458035188 /nfs/dbraw/zinc/03/51/88/458035188.db2.gz FVEXISIINLIKGQ-UHFFFAOYSA-N 2 1 333.476 3.131 20 0 EGADMP OC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000358577742 458088128 /nfs/dbraw/zinc/08/81/28/458088128.db2.gz UYAAOZGSXINMKW-LHBDJYESSA-N 2 1 328.500 3.180 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000435369239 458120013 /nfs/dbraw/zinc/12/00/13/458120013.db2.gz DTUHBMJCPSGLAK-GDBMZVCRSA-N 2 1 345.874 3.483 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000435369239 458120015 /nfs/dbraw/zinc/12/00/15/458120015.db2.gz DTUHBMJCPSGLAK-GDBMZVCRSA-N 2 1 345.874 3.483 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1OCC(F)(F)F ZINC000435369249 458120340 /nfs/dbraw/zinc/12/03/40/458120340.db2.gz DVCVRINQWIZLIX-OCCSQVGLSA-N 2 1 346.393 3.196 20 0 EGADMP C[C@H]([NH2+]CCN1CCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000428325731 458120720 /nfs/dbraw/zinc/12/07/20/458120720.db2.gz NTMJXVMSSQLVKP-HKUYNNGSSA-N 2 1 327.516 3.292 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OCc1ccccc1 ZINC000435375850 458126673 /nfs/dbraw/zinc/12/66/73/458126673.db2.gz XCWXXLHEHQJGME-VQIMIIECSA-N 2 1 340.467 3.443 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OCc1ccccc1 ZINC000435375850 458126677 /nfs/dbraw/zinc/12/66/77/458126677.db2.gz XCWXXLHEHQJGME-VQIMIIECSA-N 2 1 340.467 3.443 20 0 EGADMP COc1c(Br)cccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000435382523 458130583 /nfs/dbraw/zinc/13/05/83/458130583.db2.gz DNQLKQSYAXCMRB-WHOFXGATSA-N 2 1 339.277 3.017 20 0 EGADMP COc1c(Br)cccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000435382523 458130593 /nfs/dbraw/zinc/13/05/93/458130593.db2.gz DNQLKQSYAXCMRB-WHOFXGATSA-N 2 1 339.277 3.017 20 0 EGADMP CC(C)[C@@H](C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000376098311 458194150 /nfs/dbraw/zinc/19/41/50/458194150.db2.gz VFMJZSWUIOUGQT-NHCUHLMSSA-N 2 1 329.532 3.138 20 0 EGADMP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428856309 458221854 /nfs/dbraw/zinc/22/18/54/458221854.db2.gz MCZIAMBMJGGHRO-UHFFFAOYSA-N 2 1 349.466 3.274 20 0 EGADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428879371 458228360 /nfs/dbraw/zinc/22/83/60/458228360.db2.gz CBBPYAJHOAFVKI-UHFFFAOYSA-N 2 1 336.423 3.357 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000376203021 458233164 /nfs/dbraw/zinc/23/31/64/458233164.db2.gz ILOKWUQPUWNAAO-GCJKJVERSA-N 2 1 337.511 3.298 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000369561687 458267204 /nfs/dbraw/zinc/26/72/04/458267204.db2.gz PFJXAZABLKTSFB-QRVBRYPASA-N 2 1 332.536 3.404 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000429104577 458272035 /nfs/dbraw/zinc/27/20/35/458272035.db2.gz GLACJAOCPNTDHP-FQEVSTJZSA-N 2 1 339.483 3.348 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1)C(C)C ZINC000429153503 458282593 /nfs/dbraw/zinc/28/25/93/458282593.db2.gz VSRGPPHWPIKESM-VQIMIIECSA-N 2 1 331.504 3.116 20 0 EGADMP C[C@]1(O)CCC[NH+](CCCCCC[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000376437167 458299352 /nfs/dbraw/zinc/29/93/52/458299352.db2.gz ZBMXJBRLHQGGDJ-PMACEKPBSA-N 2 1 340.552 3.021 20 0 EGADMP COc1ccc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000436403414 458299845 /nfs/dbraw/zinc/29/98/45/458299845.db2.gz APENXWOYWQHFGJ-HKUYNNGSSA-N 2 1 339.483 3.481 20 0 EGADMP COC(=O)c1coc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000447546744 458309065 /nfs/dbraw/zinc/30/90/65/458309065.db2.gz YMDFJGQKAHTEMR-XHSDSOJGSA-N 2 1 336.476 3.475 20 0 EGADMP CCOc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc(Cl)c1O ZINC000459354666 458340785 /nfs/dbraw/zinc/34/07/85/458340785.db2.gz JLMKCCWNOMFJHD-GOEBONIOSA-N 2 1 338.879 3.360 20 0 EGADMP CCOc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc(Cl)c1O ZINC000459354667 458341346 /nfs/dbraw/zinc/34/13/46/458341346.db2.gz JLMKCCWNOMFJHD-HOCLYGCPSA-N 2 1 338.879 3.360 20 0 EGADMP CC1(C)CN(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCCCC2)CCO1 ZINC000459417977 458364321 /nfs/dbraw/zinc/36/43/21/458364321.db2.gz SJTGXBLFOQAMFU-UHFFFAOYSA-N 2 1 349.563 3.017 20 0 EGADMP CC(C)OC1CC([N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000459502381 458393027 /nfs/dbraw/zinc/39/30/27/458393027.db2.gz PAZWGUSYGGRHNK-KREBGBLKSA-N 2 1 328.500 3.396 20 0 EGADMP CC(C)OC1CC([NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000459502381 458393032 /nfs/dbraw/zinc/39/30/32/458393032.db2.gz PAZWGUSYGGRHNK-KREBGBLKSA-N 2 1 328.500 3.396 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000423480410 458439677 /nfs/dbraw/zinc/43/96/77/458439677.db2.gz WBVUKDDJZNIZTC-BIRZXAFVSA-N 3 1 341.543 3.394 20 0 EGADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000423504290 458445010 /nfs/dbraw/zinc/44/50/10/458445010.db2.gz KYBDGFCQCYOHSX-LXHROKJGSA-N 3 1 341.543 3.394 20 0 EGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000423507319 458446407 /nfs/dbraw/zinc/44/64/07/458446407.db2.gz IHVWPUJSZCRWDD-HNAYVOBHSA-N 2 1 342.487 3.167 20 0 EGADMP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423522192 458450983 /nfs/dbraw/zinc/45/09/83/458450983.db2.gz RJYDREHTOSDGTG-GXTWGEPZSA-N 2 1 349.475 3.287 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423551089 458455916 /nfs/dbraw/zinc/45/59/16/458455916.db2.gz TVCNEPSVCYVIOY-FEEKASPWSA-N 3 1 341.543 3.407 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000430548266 458459156 /nfs/dbraw/zinc/45/91/56/458459156.db2.gz BUBBVKQACYNLPY-SJLPKXTDSA-N 2 1 325.456 3.220 20 0 EGADMP CCOc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc(Cl)c1O ZINC000459729714 458460248 /nfs/dbraw/zinc/46/02/48/458460248.db2.gz DMNOWOICUXCCBX-ZDUSSCGKSA-N 2 1 326.868 3.266 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000459730026 458461228 /nfs/dbraw/zinc/46/12/28/458461228.db2.gz JRZCRTUFZPOWLI-FQEVSTJZSA-N 2 1 329.532 3.015 20 0 EGADMP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000459730026 458461235 /nfs/dbraw/zinc/46/12/35/458461235.db2.gz JRZCRTUFZPOWLI-FQEVSTJZSA-N 3 1 329.532 3.015 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000459730026 458461239 /nfs/dbraw/zinc/46/12/39/458461239.db2.gz JRZCRTUFZPOWLI-FQEVSTJZSA-N 3 1 329.532 3.015 20 0 EGADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC(C)(C)C1 ZINC000459733807 458461818 /nfs/dbraw/zinc/46/18/18/458461818.db2.gz BWKSQLLJHHMFJQ-UHFFFAOYSA-N 2 1 343.515 3.019 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000430576220 458465504 /nfs/dbraw/zinc/46/55/04/458465504.db2.gz RYPDAGDDJJJFKA-BZUAXINKSA-N 2 1 337.533 3.105 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000430576220 458465508 /nfs/dbraw/zinc/46/55/08/458465508.db2.gz RYPDAGDDJJJFKA-BZUAXINKSA-N 2 1 337.533 3.105 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCc2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000430609145 458470166 /nfs/dbraw/zinc/47/01/66/458470166.db2.gz GYGQIFBJVVRYCM-HNNXBMFYSA-N 2 1 346.450 3.048 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000373371309 458473815 /nfs/dbraw/zinc/47/38/15/458473815.db2.gz YJTBHHCAFNWWDM-LNLFQRSKSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@@H](C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000437848326 458501840 /nfs/dbraw/zinc/50/18/40/458501840.db2.gz TUSBPRKIMFZDAW-ZMMAXQRCSA-N 2 1 335.536 3.161 20 0 EGADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000437848326 458501843 /nfs/dbraw/zinc/50/18/43/458501843.db2.gz TUSBPRKIMFZDAW-ZMMAXQRCSA-N 2 1 335.536 3.161 20 0 EGADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000437848326 458501846 /nfs/dbraw/zinc/50/18/46/458501846.db2.gz TUSBPRKIMFZDAW-ZMMAXQRCSA-N 2 1 335.536 3.161 20 0 EGADMP Cc1sc2[nH]c([C@@H](C)[NH+]3CCC([C@@H](C)[NH3+])CC3)nc(=O)c2c1C ZINC000430921144 458504774 /nfs/dbraw/zinc/50/47/74/458504774.db2.gz XEZUQCYHFKABQM-GHMZBOCLSA-N 2 1 334.489 3.134 20 0 EGADMP Fc1ccc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000377760050 458514763 /nfs/dbraw/zinc/51/47/63/458514763.db2.gz INHNVKJTPBMGDF-QZTJIDSGSA-N 2 1 325.431 3.175 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1C1CCCC1)c1ccccc1 ZINC000460383846 458515056 /nfs/dbraw/zinc/51/50/56/458515056.db2.gz IGTFOOUVDMSWCZ-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000431042422 458520632 /nfs/dbraw/zinc/52/06/32/458520632.db2.gz HKSHFGLUYHDMHS-AJYBTWMASA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431042422 458520636 /nfs/dbraw/zinc/52/06/36/458520636.db2.gz HKSHFGLUYHDMHS-AJYBTWMASA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431042422 458520640 /nfs/dbraw/zinc/52/06/40/458520640.db2.gz HKSHFGLUYHDMHS-AJYBTWMASA-N 2 1 343.515 3.029 20 0 EGADMP CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431075720 458524258 /nfs/dbraw/zinc/52/42/58/458524258.db2.gz GLGNORBWJWWIGY-JKSUJKDBSA-N 2 1 328.460 3.422 20 0 EGADMP C[C@H](C(=O)N[C@H](CCC[NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000423968796 458525290 /nfs/dbraw/zinc/52/52/90/458525290.db2.gz KRFMEAGJYKHFRH-YLJYHZDGSA-N 2 1 339.483 3.103 20 0 EGADMP Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000431088152 458527808 /nfs/dbraw/zinc/52/78/08/458527808.db2.gz CWKNJNVJKBQFRC-HZPDHXFCSA-N 2 1 328.460 3.340 20 0 EGADMP CCC[N@H+](CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)C1CC[NH2+]CC1 ZINC000431106574 458530530 /nfs/dbraw/zinc/53/05/30/458530530.db2.gz NMOOMQDEFFLOIV-NRFANRHFSA-N 2 1 343.515 3.026 20 0 EGADMP CCC[N@@H+](CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)C1CC[NH2+]CC1 ZINC000431106574 458530537 /nfs/dbraw/zinc/53/05/37/458530537.db2.gz NMOOMQDEFFLOIV-NRFANRHFSA-N 2 1 343.515 3.026 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000461225976 458552600 /nfs/dbraw/zinc/55/26/00/458552600.db2.gz KXDAWVGKSBVFOC-ZHALLVOQSA-N 2 1 348.535 3.097 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000424234763 458588728 /nfs/dbraw/zinc/58/87/28/458588728.db2.gz HDRGKNIKNODGEC-QGZVFWFLSA-N 2 1 331.847 3.349 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000462057927 458591121 /nfs/dbraw/zinc/59/11/21/458591121.db2.gz KVYRVUAGDUTMPL-HDICACEKSA-N 2 1 335.536 3.164 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)c1 ZINC000438553015 458596105 /nfs/dbraw/zinc/59/61/05/458596105.db2.gz MLBDNIWHDCZKLC-FQEVSTJZSA-N 2 1 343.515 3.162 20 0 EGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000438553015 458596113 /nfs/dbraw/zinc/59/61/13/458596113.db2.gz MLBDNIWHDCZKLC-FQEVSTJZSA-N 2 1 343.515 3.162 20 0 EGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000438553015 458596119 /nfs/dbraw/zinc/59/61/19/458596119.db2.gz MLBDNIWHDCZKLC-FQEVSTJZSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1nc3ccccc3n1C(F)F)CC[NH2+]CC2 ZINC000424297591 458607486 /nfs/dbraw/zinc/60/74/86/458607486.db2.gz TUBUXWWDVKSWLO-CYBMUJFWSA-N 2 1 334.414 3.395 20 0 EGADMP COC(=O)CC1CC([NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000424323824 458616103 /nfs/dbraw/zinc/61/61/03/458616103.db2.gz WHFRKJFZIARLJO-MDCZIUGASA-N 2 1 330.472 3.143 20 0 EGADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424375431 458627615 /nfs/dbraw/zinc/62/76/15/458627615.db2.gz NENOGIJCBOJNJF-BMGDILEWSA-N 2 1 332.492 3.481 20 0 EGADMP CC1(C)CCC[N@@H+](CCNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000463238687 458685451 /nfs/dbraw/zinc/68/54/51/458685451.db2.gz XLPLQGPAXULREG-UHFFFAOYSA-N 2 1 343.559 3.405 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439472783 458710181 /nfs/dbraw/zinc/71/01/81/458710181.db2.gz UHMVDQGCLILYGX-QFBILLFUSA-N 2 1 333.476 3.025 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439472783 458710185 /nfs/dbraw/zinc/71/01/85/458710185.db2.gz UHMVDQGCLILYGX-QFBILLFUSA-N 2 1 333.476 3.025 20 0 EGADMP Brc1ccc2[nH+]ccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000503536967 458713257 /nfs/dbraw/zinc/71/32/57/458713257.db2.gz LOGAEWCJGHYFOX-KGLIPLIRSA-N 2 1 346.272 3.458 20 0 EGADMP Brc1ccc2[nH+]ccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000503536967 458713267 /nfs/dbraw/zinc/71/32/67/458713267.db2.gz LOGAEWCJGHYFOX-KGLIPLIRSA-N 2 1 346.272 3.458 20 0 EGADMP CC(C)[NH+](CCN(C)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)C(C)C ZINC000503989583 458735783 /nfs/dbraw/zinc/73/57/83/458735783.db2.gz VVAQXQILEFAISP-ROUUACIJSA-N 2 1 340.556 3.010 20 0 EGADMP Cc1nc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)oc1C ZINC000471850630 458743265 /nfs/dbraw/zinc/74/32/65/458743265.db2.gz ZYNYBPARJXOXNI-MOPGFXCFSA-N 2 1 327.472 3.464 20 0 EGADMP Cc1nc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)oc1C ZINC000471850630 458743269 /nfs/dbraw/zinc/74/32/69/458743269.db2.gz ZYNYBPARJXOXNI-MOPGFXCFSA-N 2 1 327.472 3.464 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccc(F)cc1 ZINC000547733335 458781716 /nfs/dbraw/zinc/78/17/16/458781716.db2.gz OIDYIYKTOJTVTF-IBGZPJMESA-N 2 1 349.494 3.199 20 0 EGADMP C[C@@H]1CCC[C@@](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)([NH+](C)C)C1 ZINC000440114709 458782640 /nfs/dbraw/zinc/78/26/40/458782640.db2.gz YYLNYLYZCVBXIY-YVWKXTFCSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@H+]1CC[C@]2(C[C@H]1c1ccccc1)NC(=[NH2+])Nc1nc3ccccc3n12 ZINC000514823992 458801158 /nfs/dbraw/zinc/80/11/58/458801158.db2.gz ITNOIBLPFXIHDU-PXNSSMCTSA-N 2 1 346.438 3.106 20 0 EGADMP CCOC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000474477757 458888175 /nfs/dbraw/zinc/88/81/75/458888175.db2.gz NNTDXYNGFCTYFW-TZIWHRDSSA-N 2 1 330.516 3.488 20 0 EGADMP CN(CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000495600842 458893754 /nfs/dbraw/zinc/89/37/54/458893754.db2.gz ICVMZVNZIHQOPB-ROUUACIJSA-N 2 1 347.503 3.278 20 0 EGADMP CN(CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000495600842 458893759 /nfs/dbraw/zinc/89/37/59/458893759.db2.gz ICVMZVNZIHQOPB-ROUUACIJSA-N 2 1 347.503 3.278 20 0 EGADMP CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000441174254 458895898 /nfs/dbraw/zinc/89/58/98/458895898.db2.gz WECXXLKTJVKJHK-LJQANCHMSA-N 2 1 344.499 3.416 20 0 EGADMP CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000441174254 458895903 /nfs/dbraw/zinc/89/59/03/458895903.db2.gz WECXXLKTJVKJHK-LJQANCHMSA-N 2 1 344.499 3.416 20 0 EGADMP CC(C)OC(=O)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000441174254 458895905 /nfs/dbraw/zinc/89/59/05/458895905.db2.gz WECXXLKTJVKJHK-LJQANCHMSA-N 2 1 344.499 3.416 20 0 EGADMP CC(C)OC(=O)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000441174254 458895911 /nfs/dbraw/zinc/89/59/11/458895911.db2.gz WECXXLKTJVKJHK-LJQANCHMSA-N 2 1 344.499 3.416 20 0 EGADMP Cc1cccc(C)c1OCCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000441271437 458908647 /nfs/dbraw/zinc/90/86/47/458908647.db2.gz XYYAOJIVRPMKLX-XUVXKRRUSA-N 2 1 346.515 3.256 20 0 EGADMP CC[NH+](CC)CCC[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000495656282 458910148 /nfs/dbraw/zinc/91/01/48/458910148.db2.gz ITKNLRODVYOLLU-INIZCTEOSA-N 2 1 333.476 3.368 20 0 EGADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000495656282 458910152 /nfs/dbraw/zinc/91/01/52/458910152.db2.gz ITKNLRODVYOLLU-INIZCTEOSA-N 2 1 333.476 3.368 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441278300 458911960 /nfs/dbraw/zinc/91/19/60/458911960.db2.gz RDGXFZTVILVPIO-LSDHHAIUSA-N 2 1 335.879 3.159 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441278300 458911963 /nfs/dbraw/zinc/91/19/63/458911963.db2.gz RDGXFZTVILVPIO-LSDHHAIUSA-N 2 1 335.879 3.159 20 0 EGADMP CCNC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000519138326 458919167 /nfs/dbraw/zinc/91/91/67/458919167.db2.gz VVEKXSUWGSMKGK-UXHICEINSA-N 2 1 337.467 3.019 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495716308 458928398 /nfs/dbraw/zinc/92/83/98/458928398.db2.gz KKFYUVGVQYRLPH-QFBILLFUSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495716308 458928402 /nfs/dbraw/zinc/92/84/02/458928402.db2.gz KKFYUVGVQYRLPH-QFBILLFUSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495716308 458928408 /nfs/dbraw/zinc/92/84/08/458928408.db2.gz KKFYUVGVQYRLPH-QFBILLFUSA-N 2 1 339.524 3.098 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000531683398 458958651 /nfs/dbraw/zinc/95/86/51/458958651.db2.gz JKCYNFAFJNZALF-JXFKEZNVSA-N 2 1 328.456 3.426 20 0 EGADMP C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000495885853 458992956 /nfs/dbraw/zinc/99/29/56/458992956.db2.gz NXCKKVOBMHOZBQ-PMPSAXMXSA-N 2 1 331.460 3.024 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1cccc2ccccc21 ZINC000442757553 459031089 /nfs/dbraw/zinc/03/10/89/459031089.db2.gz MJRNPOJKLBAXEP-LUKYLMHMSA-N 2 1 339.483 3.075 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Br)cc2cccnc21 ZINC000442761801 459033454 /nfs/dbraw/zinc/03/34/54/459033454.db2.gz CWDMJPJKGUCVMH-NEPJUHHUSA-N 2 1 334.261 3.166 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Br)cc2cccnc21 ZINC000442761801 459033457 /nfs/dbraw/zinc/03/34/57/459033457.db2.gz CWDMJPJKGUCVMH-NEPJUHHUSA-N 2 1 334.261 3.166 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)CCCC[NH3+])C1CCCCC1 ZINC000577510128 459044278 /nfs/dbraw/zinc/04/42/78/459044278.db2.gz QPJPROMMNISYGX-UHFFFAOYSA-N 2 1 331.504 3.196 20 0 EGADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442881581 459051237 /nfs/dbraw/zinc/05/12/37/459051237.db2.gz ZRFHUQIDIFYCSO-LJQANCHMSA-N 2 1 345.531 3.033 20 0 EGADMP CSc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000442894357 459057159 /nfs/dbraw/zinc/05/71/59/459057159.db2.gz ZCXKTAZGIIBXKV-BMGDILEWSA-N 2 1 334.529 3.437 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)CC1 ZINC000443089920 459086961 /nfs/dbraw/zinc/08/69/61/459086961.db2.gz FDXJSEPNKBNRSJ-GOSISDBHSA-N 2 1 335.536 3.163 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc2c(c1)CCC(=O)N2 ZINC000532442418 459089196 /nfs/dbraw/zinc/08/91/96/459089196.db2.gz JCWPTAXBSURXTG-CVEARBPZSA-N 2 1 329.488 3.486 20 0 EGADMP CCOc1cc2c(cc1CN[C@@H]1CC[N@@H+](CC)C[C@H]1C)O[C@H](C)C2 ZINC000532454884 459091865 /nfs/dbraw/zinc/09/18/65/459091865.db2.gz SSWCVMJMJXIBKR-IIDMSEBBSA-N 2 1 332.488 3.229 20 0 EGADMP Cc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(C)c1 ZINC000520932342 459105565 /nfs/dbraw/zinc/10/55/65/459105565.db2.gz AXZAMPSUPOFMES-IBGZPJMESA-N 2 1 343.540 3.443 20 0 EGADMP COc1ccc([C@H](C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])N2CCCCC2)cc1 ZINC000567642372 459138331 /nfs/dbraw/zinc/13/83/31/459138331.db2.gz QLGWTBMZCJLGQF-NJYVYQBISA-N 2 1 345.531 3.472 20 0 EGADMP [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000567786528 459167925 /nfs/dbraw/zinc/16/79/25/459167925.db2.gz AZYDQXDDXYIBSX-MOPGFXCFSA-N 2 1 335.536 3.009 20 0 EGADMP CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2Oc2ccncc2)C1 ZINC000558716060 459203151 /nfs/dbraw/zinc/20/31/51/459203151.db2.gz KJSVONMHYUYSTC-INIZCTEOSA-N 2 1 339.439 3.336 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000480767780 459217374 /nfs/dbraw/zinc/21/73/74/459217374.db2.gz FJSUZDIGIXXQEI-AYOQOUSVSA-N 2 1 335.923 3.407 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000590786158 459218398 /nfs/dbraw/zinc/21/83/98/459218398.db2.gz DKROZXPGNVTLSZ-TVRKMHQQSA-N 2 1 337.552 3.122 20 0 EGADMP CCCCN(CC)C(=O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481172964 459236521 /nfs/dbraw/zinc/23/65/21/459236521.db2.gz GPBJKMCJJOQJBU-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CCCCN(CC)C(=O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000481172964 459236526 /nfs/dbraw/zinc/23/65/26/459236526.db2.gz GPBJKMCJJOQJBU-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CCCCN(CC)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481172964 459236527 /nfs/dbraw/zinc/23/65/27/459236527.db2.gz GPBJKMCJJOQJBU-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CCCCN(CC)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481172964 459236531 /nfs/dbraw/zinc/23/65/31/459236531.db2.gz GPBJKMCJJOQJBU-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP C[NH+](C)CCOc1ccc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000590880862 459257183 /nfs/dbraw/zinc/25/71/83/459257183.db2.gz XRRBRCBEVCRYEN-UHFFFAOYSA-N 2 1 333.520 3.026 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC[C@H]3CCc4ccccc43)C2)CC1 ZINC000595340223 459280614 /nfs/dbraw/zinc/28/06/14/459280614.db2.gz RINZADPLCRGYKF-RTWAWAEBSA-N 2 1 341.543 3.207 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[NH+]1CC(C)C1 ZINC000568650394 459322887 /nfs/dbraw/zinc/32/28/87/459322887.db2.gz OXEYIQSPQYCWKX-WBVHZDCISA-N 2 1 329.488 3.197 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[NH+]1CC(C)C1 ZINC000568650394 459322893 /nfs/dbraw/zinc/32/28/93/459322893.db2.gz OXEYIQSPQYCWKX-WBVHZDCISA-N 2 1 329.488 3.197 20 0 EGADMP CCCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000482896753 459330224 /nfs/dbraw/zinc/33/02/24/459330224.db2.gz ULFMHJFHDWCTJM-PKOBYXMFSA-N 2 1 334.504 3.219 20 0 EGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC000483303360 459357671 /nfs/dbraw/zinc/35/76/71/459357671.db2.gz MJYNMXOMDURSBB-NHCUHLMSSA-N 2 1 330.516 3.429 20 0 EGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC000483303360 459357675 /nfs/dbraw/zinc/35/76/75/459357675.db2.gz MJYNMXOMDURSBB-NHCUHLMSSA-N 2 1 330.516 3.429 20 0 EGADMP C[NH+](C)CCCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000560521308 459364532 /nfs/dbraw/zinc/36/45/32/459364532.db2.gz BNYSKHLXRZFFJU-NJDAHSKKSA-N 2 1 329.532 3.219 20 0 EGADMP C[NH+](C)CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000560521308 459364537 /nfs/dbraw/zinc/36/45/37/459364537.db2.gz BNYSKHLXRZFFJU-NJDAHSKKSA-N 3 1 329.532 3.219 20 0 EGADMP C[NH+](C)CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000560521308 459364542 /nfs/dbraw/zinc/36/45/42/459364542.db2.gz BNYSKHLXRZFFJU-NJDAHSKKSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1I ZINC000591578323 459406467 /nfs/dbraw/zinc/40/64/67/459406467.db2.gz QTPSYJFJARZQNY-RYUDHWBXSA-N 2 1 344.240 3.084 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)CC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000497150581 459460899 /nfs/dbraw/zinc/46/08/99/459460899.db2.gz ROMUOSMWBIUVAO-UHFFFAOYSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)COc1ccccc1 ZINC000583019424 459467469 /nfs/dbraw/zinc/46/74/69/459467469.db2.gz BPHDDNNWCSMABY-FQEVSTJZSA-N 2 1 342.483 3.056 20 0 EGADMP C[C@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000583078372 459479046 /nfs/dbraw/zinc/47/90/46/459479046.db2.gz YPQMCMGWXOKKKI-HKUYNNGSSA-N 2 1 338.499 3.447 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497203334 459484250 /nfs/dbraw/zinc/48/42/50/459484250.db2.gz RDDQOXGJCGZNSP-HZPDHXFCSA-N 2 1 339.524 3.096 20 0 EGADMP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(C)c1 ZINC000583929794 459620328 /nfs/dbraw/zinc/62/03/28/459620328.db2.gz DDIAKRCNQMHNKO-PMACEKPBSA-N 2 1 348.531 3.001 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000584108313 459656892 /nfs/dbraw/zinc/65/68/92/459656892.db2.gz YAYQDDIUHMQMIY-AWEZNQCLSA-N 2 1 327.476 3.246 20 0 EGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000573315542 459658608 /nfs/dbraw/zinc/65/86/08/459658608.db2.gz ANEAKMIAIFKUEG-MOPGFXCFSA-N 2 1 338.455 3.084 20 0 EGADMP CC(C)[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(Cl)cc1 ZINC000573594651 459703211 /nfs/dbraw/zinc/70/32/11/459703211.db2.gz FDRMEPXHYNUBBJ-KRWDZBQOSA-N 2 1 347.894 3.412 20 0 EGADMP Cn1cc2ccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)cc2n1 ZINC000527764137 459728886 /nfs/dbraw/zinc/72/88/86/459728886.db2.gz QPJWSSHTCQSRNR-UHFFFAOYSA-N 2 1 348.494 3.370 20 0 EGADMP C/C(=C/c1ccccc1)C[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000501877006 459751193 /nfs/dbraw/zinc/75/11/93/459751193.db2.gz WGOWMONLOMEHIP-JZJYNLBNSA-N 2 1 329.532 3.438 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(Cl)c2)C1 ZINC000584497372 459754243 /nfs/dbraw/zinc/75/42/43/459754243.db2.gz VAXORURKOSAFHV-HUUCEWRRSA-N 2 1 337.895 3.377 20 0 EGADMP CC(C)c1cccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000527860840 459760987 /nfs/dbraw/zinc/76/09/87/459760987.db2.gz YOUNVDWARHQPGI-LPHOPBHVSA-N 2 1 331.504 3.048 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC34CC(C3)CO4)[C@@H]3CCC[C@@H]32)cc1 ZINC000527978739 459786618 /nfs/dbraw/zinc/78/66/18/459786618.db2.gz GITLLTGFOBLZMP-ZLIDZYOXSA-N 2 1 326.484 3.198 20 0 EGADMP C[C@@H]1C[C@H]([N@@H+](C)CCCc2cncn2C)CCN1Cc1ccccc1 ZINC000574168823 459788237 /nfs/dbraw/zinc/78/82/37/459788237.db2.gz JQSPARONYCKYIM-UYAOXDASSA-N 3 1 340.515 3.338 20 0 EGADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000566005187 459791663 /nfs/dbraw/zinc/79/16/63/459791663.db2.gz WLWXPYMJGAQRFM-ICSRJNTNSA-N 2 1 348.531 3.145 20 0 EGADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000584782879 459801246 /nfs/dbraw/zinc/80/12/46/459801246.db2.gz VBSZHOSRZKGJLW-FDFHNCONSA-N 2 1 335.495 3.146 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)[C@@H]1c1cccs1 ZINC000566116981 459808438 /nfs/dbraw/zinc/80/84/38/459808438.db2.gz RKJYTYMFLUQIRP-YRGRVCCFSA-N 2 1 336.423 3.034 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)[C@@H]1c1cccs1 ZINC000566116981 459808441 /nfs/dbraw/zinc/80/84/41/459808441.db2.gz RKJYTYMFLUQIRP-YRGRVCCFSA-N 2 1 336.423 3.034 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCCC[NH+](C)C)C1 ZINC000584830616 459810334 /nfs/dbraw/zinc/81/03/34/459810334.db2.gz LSBZHFGLUVCYNN-GOSISDBHSA-N 2 1 345.531 3.267 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000574521637 459829430 /nfs/dbraw/zinc/82/94/30/459829430.db2.gz GBUUONWIVNIBPV-KRWDZBQOSA-N 2 1 331.847 3.301 20 0 EGADMP FC(F)(F)Oc1ccc(OCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000575046666 459914897 /nfs/dbraw/zinc/91/48/97/459914897.db2.gz ZCMNTXUVJAPPTI-MRXNPFEDSA-N 2 1 344.377 3.040 20 0 EGADMP FC(F)(F)Oc1ccc(OCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000575046666 459914905 /nfs/dbraw/zinc/91/49/05/459914905.db2.gz ZCMNTXUVJAPPTI-MRXNPFEDSA-N 2 1 344.377 3.040 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000575052601 459917292 /nfs/dbraw/zinc/91/72/92/459917292.db2.gz CPGFOBREMNPNTR-PBHICJAKSA-N 2 1 344.421 3.464 20 0 EGADMP C[NH+]1CCN([C@@H](C[NH2+]C/C=C\c2ccccc2)c2cccs2)CC1 ZINC000588176999 459926007 /nfs/dbraw/zinc/92/60/07/459926007.db2.gz ZJDXBNUAAXSIMI-STISFXCESA-N 2 1 341.524 3.340 20 0 EGADMP COC(=O)C(C)(C)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602506342 459972399 /nfs/dbraw/zinc/97/23/99/459972399.db2.gz OICDZMSXGJZENI-FUHWJXTLSA-N 2 1 330.472 3.143 20 0 EGADMP COC(=O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602506342 459972406 /nfs/dbraw/zinc/97/24/06/459972406.db2.gz OICDZMSXGJZENI-FUHWJXTLSA-N 2 1 330.472 3.143 20 0 EGADMP CCOC(=O)C1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602620645 460026647 /nfs/dbraw/zinc/02/66/47/460026647.db2.gz ZIIHWORLJUCOLY-HKUYNNGSSA-N 2 1 342.483 3.287 20 0 EGADMP CCOC(=O)C1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602620645 460026654 /nfs/dbraw/zinc/02/66/54/460026654.db2.gz ZIIHWORLJUCOLY-HKUYNNGSSA-N 2 1 342.483 3.287 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ccc(F)c(F)c3)C2)CC1 ZINC000610250483 460098295 /nfs/dbraw/zinc/09/82/95/460098295.db2.gz RFQCYTNJEKJHPQ-WBVHZDCISA-N 2 1 337.458 3.126 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc(F)c(F)c3)C2)CC1 ZINC000610250483 460098301 /nfs/dbraw/zinc/09/83/01/460098301.db2.gz RFQCYTNJEKJHPQ-WBVHZDCISA-N 2 1 337.458 3.126 20 0 EGADMP CC(C)Oc1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610250412 460098418 /nfs/dbraw/zinc/09/84/18/460098418.db2.gz GHABANNRJAGQNU-HXUWFJFHSA-N 2 1 345.531 3.074 20 0 EGADMP CCCn1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000576454397 460144099 /nfs/dbraw/zinc/14/40/99/460144099.db2.gz FKWAOPLTJYCWDL-GOSISDBHSA-N 2 1 346.544 3.038 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3cc(C)c(OC)cc3C)C2)CC1 ZINC000614962718 460253701 /nfs/dbraw/zinc/25/37/01/460253701.db2.gz FAYMOHYZCGJLTF-RBUKOAKNSA-N 2 1 345.531 3.085 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000603320051 460284134 /nfs/dbraw/zinc/28/41/34/460284134.db2.gz OCEGIAVSCGKXOF-QGZVFWFLSA-N 2 1 345.531 3.379 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)Cc1ccccc1 ZINC000626062653 460358144 /nfs/dbraw/zinc/35/81/44/460358144.db2.gz AFKXVIBRPIWOTJ-OAQYLSRUSA-N 2 1 326.484 3.174 20 0 EGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)C1 ZINC000604390572 460417213 /nfs/dbraw/zinc/41/72/13/460417213.db2.gz YSQUPFCLMULYPB-GOSISDBHSA-N 2 1 347.506 3.468 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631664497 460497830 /nfs/dbraw/zinc/49/78/30/460497830.db2.gz NZDGXNAXYWQTNC-NLWGTHIKSA-N 2 1 326.488 3.019 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cnn(C)c1 ZINC000631664504 460497956 /nfs/dbraw/zinc/49/79/56/460497956.db2.gz OETCYVXOTVPYPF-HQRMLTQVSA-N 2 1 326.488 3.229 20 0 EGADMP Cc1ccc2ncc(C[N@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)cc2c1 ZINC000629539929 460801032 /nfs/dbraw/zinc/80/10/32/460801032.db2.gz SOHVUXAHRCYUCQ-CUWPLCDZSA-N 2 1 339.483 3.262 20 0 EGADMP Brc1ccc(S[C@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000629546353 460802877 /nfs/dbraw/zinc/80/28/77/460802877.db2.gz CJUNNNLHAYHTSC-WFASDCNBSA-N 2 1 341.318 3.225 20 0 EGADMP C[C@@H](Nc1nc(N2Cc3ccccc3C2)cc[nH+]1)C1CC[NH+](C)CC1 ZINC000623969797 460803364 /nfs/dbraw/zinc/80/33/64/460803364.db2.gz UHEBIQPJQBOSSD-OAHLLOKOSA-N 2 1 337.471 3.139 20 0 EGADMP CC1(C)CCc2ccccc2[C@@H]([NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000629550863 460804508 /nfs/dbraw/zinc/80/45/08/460804508.db2.gz PNTSISRPOYPGHD-HKUYNNGSSA-N 2 1 339.487 3.006 20 0 EGADMP COc1cccc(CCC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629561885 460808767 /nfs/dbraw/zinc/80/87/67/460808767.db2.gz LDKWCYYYAMWCMM-GDBMZVCRSA-N 2 1 330.394 3.087 20 0 EGADMP Cc1nc([C@@H](C)[N@H+](C)CCOCC[NH3+])oc1-c1ccc(Cl)cc1 ZINC000629581353 460812502 /nfs/dbraw/zinc/81/25/02/460812502.db2.gz XJNCQFIVFCKFPM-CYBMUJFWSA-N 2 1 337.851 3.272 20 0 EGADMP Cc1nc([C@@H](C)[N@@H+](C)CCOCC[NH3+])oc1-c1ccc(Cl)cc1 ZINC000629581353 460812507 /nfs/dbraw/zinc/81/25/07/460812507.db2.gz XJNCQFIVFCKFPM-CYBMUJFWSA-N 2 1 337.851 3.272 20 0 EGADMP Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NC[C@H](O)C[NH+]1CCCC1 ZINC000629581504 460812752 /nfs/dbraw/zinc/81/27/52/460812752.db2.gz CMYIHHOJXHJKNM-HKUYNNGSSA-N 2 1 331.504 3.242 20 0 EGADMP Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NC[C@H](O)C[NH+]1CCCC1 ZINC000629581504 460812755 /nfs/dbraw/zinc/81/27/55/460812755.db2.gz CMYIHHOJXHJKNM-HKUYNNGSSA-N 2 1 331.504 3.242 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000629568869 460813275 /nfs/dbraw/zinc/81/32/75/460813275.db2.gz VIWIAQZDNASDLD-BXUZGUMPSA-N 2 1 336.785 3.178 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000629568869 460813283 /nfs/dbraw/zinc/81/32/83/460813283.db2.gz VIWIAQZDNASDLD-BXUZGUMPSA-N 2 1 336.785 3.178 20 0 EGADMP CC(C)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000601477135 460818709 /nfs/dbraw/zinc/81/87/09/460818709.db2.gz DWYQYYUSAKFHMI-FQEVSTJZSA-N 2 1 343.515 3.051 20 0 EGADMP CC(C)c1ccc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000601477135 460818716 /nfs/dbraw/zinc/81/87/16/460818716.db2.gz DWYQYYUSAKFHMI-FQEVSTJZSA-N 2 1 343.515 3.051 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)CC[C@@H]1C(F)(F)F ZINC000629654735 460848634 /nfs/dbraw/zinc/84/86/34/460848634.db2.gz QAILWKCGMNIUBE-WBVHZDCISA-N 2 1 342.405 3.435 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCC3CC3)cc2)CC[C@@H]1C(F)(F)F ZINC000629654735 460848638 /nfs/dbraw/zinc/84/86/38/460848638.db2.gz QAILWKCGMNIUBE-WBVHZDCISA-N 2 1 342.405 3.435 20 0 EGADMP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000624121899 460869761 /nfs/dbraw/zinc/86/97/61/460869761.db2.gz FUYJFGMVLPPGCO-UYAOXDASSA-N 2 1 341.503 3.039 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000624121561 460870307 /nfs/dbraw/zinc/87/03/07/460870307.db2.gz YBLGAUAHTXZHSH-QZTJIDSGSA-N 3 1 333.520 3.010 20 0 EGADMP C[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000624121561 460870311 /nfs/dbraw/zinc/87/03/11/460870311.db2.gz YBLGAUAHTXZHSH-QZTJIDSGSA-N 2 1 333.520 3.010 20 0 EGADMP C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000624121561 460870316 /nfs/dbraw/zinc/87/03/16/460870316.db2.gz YBLGAUAHTXZHSH-QZTJIDSGSA-N 2 1 333.520 3.010 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)CC3 ZINC000624121835 460871036 /nfs/dbraw/zinc/87/10/36/460871036.db2.gz DPIPUGPHHNRIHP-CVEARBPZSA-N 2 1 341.499 3.355 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[NH+](C)C1CCC1 ZINC000629949315 460970471 /nfs/dbraw/zinc/97/04/71/460970471.db2.gz PRARSLMEAYVPHE-KRWDZBQOSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)C[N@H+](C)C1CCC1 ZINC000629949315 460970477 /nfs/dbraw/zinc/97/04/77/460970477.db2.gz PRARSLMEAYVPHE-KRWDZBQOSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)C[N@@H+](C)C1CCC1 ZINC000629949315 460970480 /nfs/dbraw/zinc/97/04/80/460970480.db2.gz PRARSLMEAYVPHE-KRWDZBQOSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)CC[N@H+]1C ZINC000608061648 460974417 /nfs/dbraw/zinc/97/44/17/460974417.db2.gz WWZCQBSAIUHYDB-PBHICJAKSA-N 2 1 338.455 3.406 20 0 EGADMP CCOc1cncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000621339673 460996899 /nfs/dbraw/zinc/99/68/99/460996899.db2.gz HSJCMGGYMKNWFU-DYESRHJHSA-N 2 1 339.483 3.481 20 0 EGADMP CCOc1cncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000621339673 460996904 /nfs/dbraw/zinc/99/69/04/460996904.db2.gz HSJCMGGYMKNWFU-DYESRHJHSA-N 2 1 339.483 3.481 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3coc(-c4cccs4)n3)C2)C1 ZINC000652348825 461141949 /nfs/dbraw/zinc/14/19/49/461141949.db2.gz SKJJLNNFPOYEAB-LZWOXQAQSA-N 2 1 347.484 3.121 20 0 EGADMP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000652351473 461146929 /nfs/dbraw/zinc/14/69/29/461146929.db2.gz YVHYVLVMLBRJER-SAJDGTNDSA-N 2 1 343.515 3.093 20 0 EGADMP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000652351473 461146939 /nfs/dbraw/zinc/14/69/39/461146939.db2.gz YVHYVLVMLBRJER-SAJDGTNDSA-N 2 1 343.515 3.093 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351456 461147369 /nfs/dbraw/zinc/14/73/69/461147369.db2.gz XNHWKVRXAPTOCG-GUXCAODWSA-N 2 1 329.488 3.198 20 0 EGADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351456 461147376 /nfs/dbraw/zinc/14/73/76/461147376.db2.gz XNHWKVRXAPTOCG-GUXCAODWSA-N 2 1 329.488 3.198 20 0 EGADMP CCc1cccc(C)c1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290044 461167582 /nfs/dbraw/zinc/16/75/82/461167582.db2.gz GIKBBDBODMYSAJ-IBGZPJMESA-N 2 1 343.515 3.208 20 0 EGADMP Fc1ccccc1-c1noc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662292628 461169890 /nfs/dbraw/zinc/16/98/90/461169890.db2.gz GGLXAHKIZZWZMC-HNNXBMFYSA-N 2 1 344.434 3.087 20 0 EGADMP CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])c1ccccc1 ZINC000662312376 461183878 /nfs/dbraw/zinc/18/38/78/461183878.db2.gz BEUUYYKBUDSHKG-YFVAEKQCSA-N 2 1 345.531 3.339 20 0 EGADMP C[C@@H]1CCC[N@@H+](CC(=O)N2c3ccccc3CC[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662312738 461184915 /nfs/dbraw/zinc/18/49/15/461184915.db2.gz CSDDJESIKKJCPT-ZIFCJYIRSA-N 2 1 343.515 3.194 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCc3cncc(C)n3)C2)s1 ZINC000649603226 461211882 /nfs/dbraw/zinc/21/18/82/461211882.db2.gz BEALSPQYEIGLRA-QGZVFWFLSA-N 2 1 344.528 3.151 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCc3cncc(C)n3)C2)s1 ZINC000649603226 461211886 /nfs/dbraw/zinc/21/18/86/461211886.db2.gz BEALSPQYEIGLRA-QGZVFWFLSA-N 2 1 344.528 3.151 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCc3cncc(C)n3)C2)s1 ZINC000649603226 461211905 /nfs/dbraw/zinc/21/19/05/461211905.db2.gz BEALSPQYEIGLRA-QGZVFWFLSA-N 2 1 344.528 3.151 20 0 EGADMP CCCOc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC000668277624 461222912 /nfs/dbraw/zinc/22/29/12/461222912.db2.gz LVYQFRSJDSFMPV-UHFFFAOYSA-N 2 1 332.488 3.080 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)CC1 ZINC000636683351 461250120 /nfs/dbraw/zinc/25/01/20/461250120.db2.gz GIBFFMRHVLFMMM-IBGZPJMESA-N 2 1 341.499 3.118 20 0 EGADMP O=c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c[nH]1 ZINC000638156516 461277656 /nfs/dbraw/zinc/27/76/56/461277656.db2.gz YYBKXVWELKTXPN-UHFFFAOYSA-N 2 1 337.467 3.275 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000662526731 461281755 /nfs/dbraw/zinc/28/17/55/461281755.db2.gz KDTPRJPYBXWYQK-WBQJQJEBSA-N 2 1 341.499 3.085 20 0 EGADMP CC(C[NH+]1CCC[C@H](OC(C)C)C1)C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000649702738 461289309 /nfs/dbraw/zinc/28/93/09/461289309.db2.gz LYQRIAXVYDANNW-PMACEKPBSA-N 2 1 340.552 3.401 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(C)(C)Oc1ccccc1 ZINC000638180997 461294117 /nfs/dbraw/zinc/29/41/17/461294117.db2.gz LOFMUYGHRKPQKR-BHIYHBOVSA-N 2 1 332.488 3.028 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)sn1 ZINC000638335336 461374167 /nfs/dbraw/zinc/37/41/67/461374167.db2.gz MKBFPEYPKCZQED-IYBDPMFKSA-N 2 1 345.512 3.351 20 0 EGADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Nc1ccccc1 ZINC000655711166 461379554 /nfs/dbraw/zinc/37/95/54/461379554.db2.gz FWDZJUWJABSZMR-NHCUHLMSSA-N 2 1 345.531 3.356 20 0 EGADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000641805546 461381169 /nfs/dbraw/zinc/38/11/69/461381169.db2.gz NPRNTIMOIIKIJB-MSOLQXFVSA-N 2 1 339.439 3.133 20 0 EGADMP Cc1[nH]c2c(cc(C)cc2C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1C ZINC000655717224 461387649 /nfs/dbraw/zinc/38/76/49/461387649.db2.gz YGLWGJBIJYTPSA-IBGZPJMESA-N 2 1 341.499 3.436 20 0 EGADMP CC[C@@H](C(=O)Nc1cccc2c1CC[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000646735657 461392944 /nfs/dbraw/zinc/39/29/44/461392944.db2.gz RVLHRPSQHUYWMF-FQEVSTJZSA-N 2 1 337.467 3.181 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]CCCCn1cc[nH+]c1C ZINC000655741348 461406968 /nfs/dbraw/zinc/40/69/68/461406968.db2.gz IERAWEZGPJEXBS-UHFFFAOYSA-N 2 1 341.434 3.395 20 0 EGADMP C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000668740174 461410047 /nfs/dbraw/zinc/41/00/47/461410047.db2.gz QUDQKFSAOKBVKB-NJYVYQBISA-N 2 1 328.500 3.028 20 0 EGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1O ZINC000668820342 461450960 /nfs/dbraw/zinc/45/09/60/461450960.db2.gz UHVDQUJVLITELS-APWZRJJASA-N 2 1 346.515 3.434 20 0 EGADMP c1cc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)ccc1C[NH+]1CCCCC1 ZINC000663095130 461454583 /nfs/dbraw/zinc/45/45/83/461454583.db2.gz VBLSCEQIHAWZHH-NHCUHLMSSA-N 2 1 344.499 3.052 20 0 EGADMP c1cc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)ccc1C[NH+]1CCCCC1 ZINC000663095130 461454589 /nfs/dbraw/zinc/45/45/89/461454589.db2.gz VBLSCEQIHAWZHH-NHCUHLMSSA-N 2 1 344.499 3.052 20 0 EGADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC1 ZINC000655840001 461490139 /nfs/dbraw/zinc/49/01/39/461490139.db2.gz BTUPMGZXJWNJNL-ZFCZOSEKSA-N 2 1 328.500 3.277 20 0 EGADMP CC(C)CNC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000659927709 461501028 /nfs/dbraw/zinc/50/10/28/461501028.db2.gz HVINRUDSDAOIRG-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CNC(=O)CCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000659927709 461501036 /nfs/dbraw/zinc/50/10/36/461501036.db2.gz HVINRUDSDAOIRG-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CNC(=O)CCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000659927709 461501041 /nfs/dbraw/zinc/50/10/41/461501041.db2.gz HVINRUDSDAOIRG-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCC[C@H](C[NH2+]CC1CC[NH+](Cc2csc(CC)n2)CC1)OC ZINC000638624009 461507843 /nfs/dbraw/zinc/50/78/43/461507843.db2.gz WBONQCVOCCKQOU-QGZVFWFLSA-N 2 1 339.549 3.322 20 0 EGADMP COc1cccc(SCCN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000659974737 461524736 /nfs/dbraw/zinc/52/47/36/461524736.db2.gz PUBXCLQDMLMORY-QGZVFWFLSA-N 2 1 334.529 3.451 20 0 EGADMP COc1cccc(SCC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000659974737 461524739 /nfs/dbraw/zinc/52/47/39/461524739.db2.gz PUBXCLQDMLMORY-QGZVFWFLSA-N 2 1 334.529 3.451 20 0 EGADMP COc1cccc(SCC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000659974737 461524741 /nfs/dbraw/zinc/52/47/41/461524741.db2.gz PUBXCLQDMLMORY-QGZVFWFLSA-N 2 1 334.529 3.451 20 0 EGADMP COc1cccc(SCC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000659974737 461524743 /nfs/dbraw/zinc/52/47/43/461524743.db2.gz PUBXCLQDMLMORY-QGZVFWFLSA-N 2 1 334.529 3.451 20 0 EGADMP COc1cccc(SCC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000659974737 461524745 /nfs/dbraw/zinc/52/47/45/461524745.db2.gz PUBXCLQDMLMORY-QGZVFWFLSA-N 2 1 334.529 3.451 20 0 EGADMP CO[C@@H](C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C1CC1 ZINC000638672664 461528306 /nfs/dbraw/zinc/52/83/06/461528306.db2.gz XKELFSHXWMEBEZ-FQEVSTJZSA-N 2 1 328.456 3.426 20 0 EGADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000638671408 461529062 /nfs/dbraw/zinc/52/90/62/461529062.db2.gz PPHBQNOGIARDEU-DRMAHVMPSA-N 2 1 349.544 3.168 20 0 EGADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000638671408 461529068 /nfs/dbraw/zinc/52/90/68/461529068.db2.gz PPHBQNOGIARDEU-DRMAHVMPSA-N 2 1 349.544 3.168 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000659990934 461535361 /nfs/dbraw/zinc/53/53/61/461535361.db2.gz RVPFUYOTVRYXPU-SFHLNBCPSA-N 2 1 329.532 3.171 20 0 EGADMP CC[N@@H+](CCCNC(=O)c1ccc2c(c1)C[NH2+]C2)C1CCCCC1 ZINC000653200363 461555691 /nfs/dbraw/zinc/55/56/91/461555691.db2.gz BPGHLZNGZHPLGD-UHFFFAOYSA-N 2 1 329.488 3.064 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000643057127 461598581 /nfs/dbraw/zinc/59/85/81/461598581.db2.gz AGZZOPKCNDVAOU-PXNSSMCTSA-N 2 1 326.440 3.280 20 0 EGADMP C[C@@H]1C[N@H+](CC[C@@H]2CCc3ccccc32)CC[C@H]1N1CCN(C)CC1 ZINC000660158985 461613068 /nfs/dbraw/zinc/61/30/68/461613068.db2.gz YQOXBQOLZQQUJY-KAGYGMCKSA-N 2 1 341.543 3.064 20 0 EGADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)CC[C@H]1N1CCN(C)CC1 ZINC000660158985 461613076 /nfs/dbraw/zinc/61/30/76/461613076.db2.gz YQOXBQOLZQQUJY-KAGYGMCKSA-N 2 1 341.543 3.064 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C)nc1C(F)F ZINC000631195893 461636920 /nfs/dbraw/zinc/63/69/20/461636920.db2.gz LHIKKAHXQWBWSH-GDBMZVCRSA-N 2 1 348.441 3.215 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C)nc1C(F)F ZINC000631195893 461636928 /nfs/dbraw/zinc/63/69/28/461636928.db2.gz LHIKKAHXQWBWSH-GDBMZVCRSA-N 2 1 348.441 3.215 20 0 EGADMP c1ccc2c(c1)CC[NH+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000643250631 461650300 /nfs/dbraw/zinc/65/03/00/461650300.db2.gz RQDYBODHTCENSM-UHFFFAOYSA-N 2 1 336.479 3.120 20 0 EGADMP C[C@H]1C[N@@H+]([C@@H](CNc2[nH+]ccc3[nH]ccc32)c2cccs2)CCO1 ZINC000663562390 461705199 /nfs/dbraw/zinc/70/51/99/461705199.db2.gz HQVJPPPLYDHTQA-BBRMVZONSA-N 2 1 342.468 3.498 20 0 EGADMP C[C@H]1C[N@H+]([C@@H](CNc2[nH+]ccc3[nH]ccc32)c2cccs2)CCO1 ZINC000663562390 461705207 /nfs/dbraw/zinc/70/52/07/461705207.db2.gz HQVJPPPLYDHTQA-BBRMVZONSA-N 2 1 342.468 3.498 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@H]1[NH3+] ZINC000647498147 461736558 /nfs/dbraw/zinc/73/65/58/461736558.db2.gz BLKVMBAXKOCQKI-AZUAARDMSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@@H](Nc1[nH+]ccc2[nH]ccc21)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000663654238 461737556 /nfs/dbraw/zinc/73/75/56/461737556.db2.gz FQAPPOZLOCKSKM-BEFAXECRSA-N 2 1 336.439 3.264 20 0 EGADMP C[C@@H](Nc1[nH+]ccc2[nH]ccc21)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000663654238 461737570 /nfs/dbraw/zinc/73/75/70/461737570.db2.gz FQAPPOZLOCKSKM-BEFAXECRSA-N 2 1 336.439 3.264 20 0 EGADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c2c(c1)OCCCO2 ZINC000647543478 461757692 /nfs/dbraw/zinc/75/76/92/461757692.db2.gz OFGNCXHOFRRQFX-IAGOWNOFSA-N 2 1 330.472 3.060 20 0 EGADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cnc21 ZINC000647543955 461759324 /nfs/dbraw/zinc/75/93/24/461759324.db2.gz UUPSJPGMSDHZOP-ROUUACIJSA-N 2 1 341.503 3.224 20 0 EGADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543813 461759411 /nfs/dbraw/zinc/75/94/11/461759411.db2.gz SJUGMXZJWAVHKP-MSOLQXFVSA-N 2 1 332.488 3.306 20 0 EGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000647543725 461760132 /nfs/dbraw/zinc/76/01/32/461760132.db2.gz RMJCZYIJVSNBSN-CVEARBPZSA-N 2 1 328.460 3.190 20 0 EGADMP C[C@H]1C[C@H](C)C[NH+](CCN2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000660434473 461776904 /nfs/dbraw/zinc/77/69/04/461776904.db2.gz GRLPCASPFPFRPT-ROUUACIJSA-N 2 1 344.547 3.377 20 0 EGADMP C[C@H]([NH2+]Cc1cnn(Cc2ccccc2Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000666774146 461797033 /nfs/dbraw/zinc/79/70/33/461797033.db2.gz FYUWYEBIAIFLCI-HOCLYGCPSA-N 2 1 332.879 3.063 20 0 EGADMP FC(F)Oc1c(Br)cccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856468 461839381 /nfs/dbraw/zinc/83/93/81/461839381.db2.gz KFQRAEQKXNDOGS-NSHDSACASA-N 2 1 349.219 3.282 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@@H+](C)CCCC2CC[NH2+]CC2)c(C)c1 ZINC000647878474 461867626 /nfs/dbraw/zinc/86/76/26/461867626.db2.gz KGOVQEFAOWXHLX-UHFFFAOYSA-N 2 1 331.504 3.262 20 0 EGADMP C[C@H](c1cccs1)[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000647879542 461868494 /nfs/dbraw/zinc/86/84/94/461868494.db2.gz KUWVQNQPOYEFBY-QGZVFWFLSA-N 2 1 329.513 3.217 20 0 EGADMP COc1ccc(CC[C@H]2CCCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1OC ZINC000647883484 461870877 /nfs/dbraw/zinc/87/08/77/461870877.db2.gz VYLCLQZYFKHIQQ-ZWKOTPCHSA-N 2 1 332.488 3.100 20 0 EGADMP CC(C)(C)[C@@]1(C[NH2+]C[C@H]2C[C@@H](O)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639353402 461878469 /nfs/dbraw/zinc/87/84/69/461878469.db2.gz RTOOFXXFZZHQLB-SVFBPWRDSA-N 2 1 330.516 3.285 20 0 EGADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)o1 ZINC000656784005 461894764 /nfs/dbraw/zinc/89/47/64/461894764.db2.gz XJUPVOXCGWEXNI-KRWDZBQOSA-N 2 1 342.487 3.200 20 0 EGADMP c1nc([C@H]2CCCO2)sc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784046 461894828 /nfs/dbraw/zinc/89/48/28/461894828.db2.gz YAKISYGJQYTKSL-DOTOQJQBSA-N 2 1 335.517 3.206 20 0 EGADMP Brc1cncc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000656785247 461895334 /nfs/dbraw/zinc/89/53/34/461895334.db2.gz FYMKOJUQZGWQCT-HNNXBMFYSA-N 2 1 338.293 3.056 20 0 EGADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705750 461897975 /nfs/dbraw/zinc/89/79/75/461897975.db2.gz UJTIFBMMYXYQEE-BJLQDIEVSA-N 2 1 332.488 3.192 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(F)c4cccnc34)C2)C1 ZINC000650707059 461899858 /nfs/dbraw/zinc/89/98/58/461899858.db2.gz XSGRQDISWSHKAB-IDHHARJASA-N 2 1 343.446 3.092 20 0 EGADMP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@@H]2CCOc3ccccc32)c1 ZINC000656790441 461901194 /nfs/dbraw/zinc/90/11/94/461901194.db2.gz SHVDQZUNMHWJTR-QRFRQXIXSA-N 2 1 340.442 3.427 20 0 EGADMP Cc1ccc2cc(C[N@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)ccc2n1 ZINC000650707310 461901600 /nfs/dbraw/zinc/90/16/00/461901600.db2.gz CRLCOIWORFIVNU-ZJOUEHCJSA-N 2 1 339.483 3.262 20 0 EGADMP CC1(C)Cc2cc(C[N@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)ccc2O1 ZINC000650707436 461902002 /nfs/dbraw/zinc/90/20/02/461902002.db2.gz GDZUQVWZXIXHRH-QRFRQXIXSA-N 2 1 344.499 3.118 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Cl)c(F)c2)C1 ZINC000650723426 461914585 /nfs/dbraw/zinc/91/45/85/461914585.db2.gz NPGHWSIEPQESHN-KBRIMQKVSA-N 2 1 326.843 3.340 20 0 EGADMP CC(C)Cc1ncc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650723824 461915989 /nfs/dbraw/zinc/91/59/89/461915989.db2.gz UOHVXIKXLTZZEH-UAGQMJEPSA-N 2 1 337.533 3.202 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccnc3ccccc23)C1 ZINC000650723997 461916869 /nfs/dbraw/zinc/91/68/69/461916869.db2.gz WQQLAFZXJMIKSS-UXPWSPDFSA-N 2 1 325.456 3.096 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647976104 461917219 /nfs/dbraw/zinc/91/72/19/461917219.db2.gz KCJOLKOQJIZARY-OKZBNKHCSA-N 2 1 329.488 3.034 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000647974929 461917526 /nfs/dbraw/zinc/91/75/26/461917526.db2.gz CCDLQQPKBXGLPU-RTBURBONSA-N 2 1 343.515 3.262 20 0 EGADMP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977681 461918699 /nfs/dbraw/zinc/91/86/99/461918699.db2.gz GBCNULLZDLEVFS-DLBZAZTESA-N 2 1 339.483 3.371 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000650763287 461941776 /nfs/dbraw/zinc/94/17/76/461941776.db2.gz WYDXEDQJAHXAFY-FDFHNCONSA-N 3 1 341.543 3.266 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCc1cc2ccccc2o1 ZINC000644572370 461991137 /nfs/dbraw/zinc/99/11/37/461991137.db2.gz SEVKPYHMLNONNC-LJQANCHMSA-N 2 1 338.451 3.058 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCc1cc2ccccc2o1 ZINC000644572370 461991143 /nfs/dbraw/zinc/99/11/43/461991143.db2.gz SEVKPYHMLNONNC-LJQANCHMSA-N 2 1 338.451 3.058 20 0 EGADMP CCN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@H]1CC[N@@H+](CC)C1 ZINC000667196044 461991795 /nfs/dbraw/zinc/99/17/95/461991795.db2.gz NSKMFNVVFAAJFU-PKOBYXMFSA-N 2 1 344.503 3.184 20 0 EGADMP C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000639579081 461999983 /nfs/dbraw/zinc/99/99/83/461999983.db2.gz GRXKOOJLMBBCAM-BQFCYCMXSA-N 2 1 330.472 3.069 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657293936 462023947 /nfs/dbraw/zinc/02/39/47/462023947.db2.gz XMYPLNAMQGYKPD-YLJYHZDGSA-N 2 1 332.488 3.208 20 0 EGADMP CCn1nccc1[C@@H]1OCCC[C@H]1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000667493999 462110473 /nfs/dbraw/zinc/11/04/73/462110473.db2.gz KFSQXFFYEIMMIF-FXAWDEMLSA-N 2 1 348.535 3.175 20 0 EGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000667668226 462200443 /nfs/dbraw/zinc/20/04/43/462200443.db2.gz GNJCAXAXBQFVNV-QUCCMNQESA-N 2 1 332.488 3.161 20 0 EGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000667668226 462200451 /nfs/dbraw/zinc/20/04/51/462200451.db2.gz GNJCAXAXBQFVNV-QUCCMNQESA-N 2 1 332.488 3.161 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000667668226 462200454 /nfs/dbraw/zinc/20/04/54/462200454.db2.gz GNJCAXAXBQFVNV-QUCCMNQESA-N 2 1 332.488 3.161 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000667668226 462200461 /nfs/dbraw/zinc/20/04/61/462200461.db2.gz GNJCAXAXBQFVNV-QUCCMNQESA-N 2 1 332.488 3.161 20 0 EGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cnc2n1CCC2 ZINC000667687669 462214749 /nfs/dbraw/zinc/21/47/49/462214749.db2.gz UCHFIFFSFZLIJU-INIZCTEOSA-N 2 1 335.455 3.152 20 0 EGADMP c1ccc(C[NH+]2CCC(N[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)nc1 ZINC000657678510 462227289 /nfs/dbraw/zinc/22/72/89/462227289.db2.gz RWUIMFDBIXEJPC-HXUWFJFHSA-N 2 1 342.531 3.043 20 0 EGADMP CCCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000648768424 462269082 /nfs/dbraw/zinc/26/90/82/462269082.db2.gz CSOQIMZBTAKWBH-NVXWUHKLSA-N 2 1 337.552 3.265 20 0 EGADMP COC1([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CCC1 ZINC000657826958 462286894 /nfs/dbraw/zinc/28/68/94/462286894.db2.gz JVINNZLJLDWGAP-KSZLIROESA-N 2 1 346.515 3.343 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(OCC)CC2)[C@H](C)C1 ZINC000657884202 462307826 /nfs/dbraw/zinc/30/78/26/462307826.db2.gz MXNRTSRRKAFAEJ-LWSMDNFKSA-N 2 1 326.525 3.061 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(C(F)F)nc1 ZINC000657889775 462308099 /nfs/dbraw/zinc/30/80/99/462308099.db2.gz ZDQJSPSAQSYGPS-KBPBESRZSA-N 2 1 339.430 3.171 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]2COC[C@@H]21 ZINC000648871703 462312076 /nfs/dbraw/zinc/31/20/76/462312076.db2.gz IYWPKFDWISLSIK-VQTJNVASSA-N 2 1 344.499 3.018 20 0 EGADMP c1c2cnccc2oc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000651790631 462335392 /nfs/dbraw/zinc/33/53/92/462335392.db2.gz FIQPASOQAOKBLG-KDURUIRLSA-N 2 1 333.435 3.392 20 0 EGADMP C[C@@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658090369 462378665 /nfs/dbraw/zinc/37/86/65/462378665.db2.gz GROCXUZSJKLXJH-SJLPKXTDSA-N 2 1 333.520 3.150 20 0 EGADMP C[C@@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658090369 462378668 /nfs/dbraw/zinc/37/86/68/462378668.db2.gz GROCXUZSJKLXJH-SJLPKXTDSA-N 2 1 333.520 3.150 20 0 EGADMP Fc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000665283424 462383326 /nfs/dbraw/zinc/38/33/26/462383326.db2.gz NLLOVEZXTVJQRL-RBSFLKMASA-N 2 1 328.378 3.437 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC000649044130 462387355 /nfs/dbraw/zinc/38/73/55/462387355.db2.gz SWGZSYNXORAKKA-MRXNPFEDSA-N 2 1 347.528 3.155 20 0 EGADMP c1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)nc1 ZINC000658229960 462437238 /nfs/dbraw/zinc/43/72/38/462437238.db2.gz VNDZNMRZJXYEOX-SFHVURJKSA-N 2 1 328.504 3.047 20 0 EGADMP c1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C4CCCCC4)C3)CC2)nc1 ZINC000658229960 462437240 /nfs/dbraw/zinc/43/72/40/462437240.db2.gz VNDZNMRZJXYEOX-SFHVURJKSA-N 2 1 328.504 3.047 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652138524 462445645 /nfs/dbraw/zinc/44/56/45/462445645.db2.gz HNYYMHDABGFJAG-PBHICJAKSA-N 2 1 348.487 3.237 20 0 EGADMP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)OCc1ccccc1 ZINC000181492027 534411914 /nfs/dbraw/zinc/41/19/14/534411914.db2.gz WYFKJIIJQIJNJH-QUCCMNQESA-N 2 1 342.483 3.069 20 0 EGADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)OCc1ccccc1 ZINC000181492027 534411921 /nfs/dbraw/zinc/41/19/21/534411921.db2.gz WYFKJIIJQIJNJH-QUCCMNQESA-N 2 1 342.483 3.069 20 0 EGADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)OCc1ccccc1 ZINC000181492027 534411929 /nfs/dbraw/zinc/41/19/29/534411929.db2.gz WYFKJIIJQIJNJH-QUCCMNQESA-N 2 1 342.483 3.069 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000177927025 534447302 /nfs/dbraw/zinc/44/73/02/534447302.db2.gz QTRZTWUCDZZJPY-WWGRRREGSA-N 2 1 341.293 3.146 20 0 EGADMP Brc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000166311951 526639598 /nfs/dbraw/zinc/63/95/98/526639598.db2.gz QFZGMDBEHYULIN-VXGBXAGGSA-N 2 1 329.307 3.270 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC(F)F ZINC000174513649 528281751 /nfs/dbraw/zinc/28/17/51/528281751.db2.gz MPWIOXGFOIVHJG-TZMCWYRMSA-N 2 1 328.403 3.259 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC(F)F ZINC000174513649 528281762 /nfs/dbraw/zinc/28/17/62/528281762.db2.gz MPWIOXGFOIVHJG-TZMCWYRMSA-N 2 1 328.403 3.259 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC2(C)CC[NH2+]CC2)cc1)C(C)C ZINC000183384400 528775286 /nfs/dbraw/zinc/77/52/86/528775286.db2.gz REODRORUJADLBR-UHFFFAOYSA-N 2 1 331.504 3.036 20 0 EGADMP CCC[C@@H](NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000174294918 528986604 /nfs/dbraw/zinc/98/66/04/528986604.db2.gz FQWRUFSASWIDKI-YLJYHZDGSA-N 2 1 345.531 3.495 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cnc3ccsc3c2)CC1 ZINC000154523275 529143365 /nfs/dbraw/zinc/14/33/65/529143365.db2.gz ZRNHZUPERXKFKH-MRXNPFEDSA-N 2 1 346.544 3.365 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000154454115 529143576 /nfs/dbraw/zinc/14/35/76/529143576.db2.gz PRMWGPPGLUXEMJ-UTKZUKDTSA-N 2 1 347.522 3.456 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000344849860 535580280 /nfs/dbraw/zinc/58/02/80/535580280.db2.gz VNMISSSHMXWFIL-PKOBYXMFSA-N 2 1 341.503 3.462 20 0 EGADMP CCc1cccc(CC)c1NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357068151 535878734 /nfs/dbraw/zinc/87/87/34/535878734.db2.gz DIWSNORVFISVGX-LJQANCHMSA-N 2 1 343.515 3.071 20 0 EGADMP CCc1cnc(C[NH+]2CCC(CCC[N@@H+](C)CCOC)CC2)s1 ZINC000346196883 536033203 /nfs/dbraw/zinc/03/32/03/536033203.db2.gz DCIFMGBIFAAIAG-UHFFFAOYSA-N 2 1 339.549 3.276 20 0 EGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)[C@H]1C ZINC000354635467 536319175 /nfs/dbraw/zinc/31/91/75/536319175.db2.gz RDRIPLHCTFAFBD-KMOPNRPKSA-N 2 1 336.520 3.207 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000351419838 536357128 /nfs/dbraw/zinc/35/71/28/536357128.db2.gz RGCSKBCCCNOPIU-ICSRJNTNSA-N 2 1 343.515 3.003 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000351419838 536357131 /nfs/dbraw/zinc/35/71/31/536357131.db2.gz RGCSKBCCCNOPIU-ICSRJNTNSA-N 2 1 343.515 3.003 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000351419838 536357134 /nfs/dbraw/zinc/35/71/34/536357134.db2.gz RGCSKBCCCNOPIU-ICSRJNTNSA-N 2 1 343.515 3.003 20 0 EGADMP COc1ccccc1C1(C[NH2+]Cc2c[nH+]ccc2N(C)C)CCC1 ZINC000185297269 537012814 /nfs/dbraw/zinc/01/28/14/537012814.db2.gz WGXKUYOZNKCRHZ-UHFFFAOYSA-N 2 1 325.456 3.368 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(=O)N1CCCC1 ZINC000089724254 546647613 /nfs/dbraw/zinc/64/76/13/546647613.db2.gz WDRFNIIKUAPSSN-HOJAQTOUSA-N 2 1 349.563 3.266 20 0 EGADMP CCO[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000155429513 546902173 /nfs/dbraw/zinc/90/21/73/546902173.db2.gz KXHOTBMBGYQOPN-HXUWFJFHSA-N 2 1 332.488 3.162 20 0 EGADMP Cc1nccn1-c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000166306810 546988110 /nfs/dbraw/zinc/98/81/10/546988110.db2.gz JMSJOXDGMWICSQ-DLBZAZTESA-N 2 1 328.435 3.036 20 0 EGADMP Cc1nccn1-c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000166306810 546988115 /nfs/dbraw/zinc/98/81/15/546988115.db2.gz JMSJOXDGMWICSQ-DLBZAZTESA-N 2 1 328.435 3.036 20 0 EGADMP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000180046403 547051835 /nfs/dbraw/zinc/05/18/35/547051835.db2.gz YHUMAKWSZNNRIH-XHSDSOJGSA-N 2 1 342.487 3.178 20 0 EGADMP CCc1noc(-c2ccc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)n1 ZINC000246417143 547279550 /nfs/dbraw/zinc/27/95/50/547279550.db2.gz MWWOVCCNYBIKAQ-ROUUACIJSA-N 2 1 340.471 3.058 20 0 EGADMP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246826702 547284742 /nfs/dbraw/zinc/28/47/42/547284742.db2.gz NXONGUMRGLEKOU-KKSFZXQISA-N 2 1 336.483 3.387 20 0 EGADMP Cc1nc2ccccc2nc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246826702 547284748 /nfs/dbraw/zinc/28/47/48/547284748.db2.gz NXONGUMRGLEKOU-KKSFZXQISA-N 2 1 336.483 3.387 20 0 EGADMP Cc1nc2ccccc2nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246826702 547284754 /nfs/dbraw/zinc/28/47/54/547284754.db2.gz NXONGUMRGLEKOU-KKSFZXQISA-N 2 1 336.483 3.387 20 0 EGADMP Cc1nc2ccccc2nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246826702 547284759 /nfs/dbraw/zinc/28/47/59/547284759.db2.gz NXONGUMRGLEKOU-KKSFZXQISA-N 2 1 336.483 3.387 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000339069175 547567779 /nfs/dbraw/zinc/56/77/79/547567779.db2.gz RUFLSUKMQSHHQU-KBPBESRZSA-N 2 1 328.378 3.430 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000339069175 547567784 /nfs/dbraw/zinc/56/77/84/547567784.db2.gz RUFLSUKMQSHHQU-KBPBESRZSA-N 2 1 328.378 3.430 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000339069179 547568769 /nfs/dbraw/zinc/56/87/69/547568769.db2.gz RUFLSUKMQSHHQU-KGLIPLIRSA-N 2 1 328.378 3.430 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000339069179 547568773 /nfs/dbraw/zinc/56/87/73/547568773.db2.gz RUFLSUKMQSHHQU-KGLIPLIRSA-N 2 1 328.378 3.430 20 0 EGADMP O=C(Nc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1)C1CCC1 ZINC000339071469 547569467 /nfs/dbraw/zinc/56/94/67/547569467.db2.gz QOKIIWRHCTXLTB-HKUYNNGSSA-N 2 1 327.472 3.142 20 0 EGADMP O=C(Nc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1)C1CCC1 ZINC000339071469 547569469 /nfs/dbraw/zinc/56/94/69/547569469.db2.gz QOKIIWRHCTXLTB-HKUYNNGSSA-N 2 1 327.472 3.142 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000339236675 547571349 /nfs/dbraw/zinc/57/13/49/547571349.db2.gz HAOQWGYWMNCNLI-ZWKOTPCHSA-N 2 1 347.503 3.187 20 0 EGADMP CC(C)CC[NH+]1CCC(CNC(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000339226316 547571850 /nfs/dbraw/zinc/57/18/50/547571850.db2.gz LLCDXIBFHDITSS-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000348112200 547627799 /nfs/dbraw/zinc/62/77/99/547627799.db2.gz WFURPTOTNGGDPN-LEWJYISDSA-N 2 1 327.516 3.102 20 0 EGADMP COc1cc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000399208900 547836455 /nfs/dbraw/zinc/83/64/55/547836455.db2.gz TYGHNCPLMKAMQU-GOEBONIOSA-N 2 1 331.485 3.152 20 0 EGADMP COc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)sn1 ZINC000399208900 547836464 /nfs/dbraw/zinc/83/64/64/547836464.db2.gz TYGHNCPLMKAMQU-GOEBONIOSA-N 2 1 331.485 3.152 20 0 EGADMP COc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000399208900 547836466 /nfs/dbraw/zinc/83/64/66/547836466.db2.gz TYGHNCPLMKAMQU-GOEBONIOSA-N 2 1 331.485 3.152 20 0 EGADMP c1cc2c(s1)C1(CC[NH+](CCC[NH+]3CCCCC3)CC1)OCC2 ZINC000444622724 547922902 /nfs/dbraw/zinc/92/29/02/547922902.db2.gz QRTNNMFKSVDEPZ-UHFFFAOYSA-N 2 1 334.529 3.488 20 0 EGADMP c1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675883227 548996776 /nfs/dbraw/zinc/99/67/76/548996776.db2.gz YLDAZZKWRAXADD-MJGOQNOKSA-N 2 1 330.472 3.133 20 0 EGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000675897993 548999738 /nfs/dbraw/zinc/99/97/38/548999738.db2.gz CBRBITFYOOUYKF-FCHUYYIVSA-N 2 1 336.479 3.209 20 0 EGADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000675897993 548999740 /nfs/dbraw/zinc/99/97/40/548999740.db2.gz CBRBITFYOOUYKF-FCHUYYIVSA-N 2 1 336.479 3.209 20 0 EGADMP C[C@@H](C[C@@H]1CCOC1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000675935250 549006620 /nfs/dbraw/zinc/00/66/20/549006620.db2.gz FMXHJMMCVHLKSU-WMZOPIPTSA-N 2 1 334.479 3.237 20 0 EGADMP CC[N@@H+](CCCC1CC[NH+]([C@@H]2CCCOC2)CC1)[C@H]1CCCOC1 ZINC000677992660 549371621 /nfs/dbraw/zinc/37/16/21/549371621.db2.gz NYQFWPWZAQDZSR-VQTJNVASSA-N 2 1 338.536 3.159 20 0 EGADMP CN(CC[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000678257107 549447448 /nfs/dbraw/zinc/44/74/48/549447448.db2.gz OVZBHJGRXYMTRT-UHFFFAOYSA-N 2 1 341.499 3.195 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000678278933 549456867 /nfs/dbraw/zinc/45/68/67/549456867.db2.gz HAGQQADVWCRFCH-SFHVURJKSA-N 2 1 342.487 3.392 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000678278933 549456869 /nfs/dbraw/zinc/45/68/69/549456869.db2.gz HAGQQADVWCRFCH-SFHVURJKSA-N 2 1 342.487 3.392 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000678278933 549456873 /nfs/dbraw/zinc/45/68/73/549456873.db2.gz HAGQQADVWCRFCH-SFHVURJKSA-N 2 1 342.487 3.392 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000678278933 549456878 /nfs/dbraw/zinc/45/68/78/549456878.db2.gz HAGQQADVWCRFCH-SFHVURJKSA-N 2 1 342.487 3.392 20 0 EGADMP CCc1nn(C)cc1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000678361215 549476218 /nfs/dbraw/zinc/47/62/18/549476218.db2.gz SPXKSBLYUGXCTI-PKOBYXMFSA-N 2 1 340.515 3.373 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)c1C ZINC000678780414 549559883 /nfs/dbraw/zinc/55/98/83/549559883.db2.gz LOHVKDOVASXJKQ-AZUAARDMSA-N 2 1 326.484 3.447 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1C ZINC000678780414 549559888 /nfs/dbraw/zinc/55/98/88/549559888.db2.gz LOHVKDOVASXJKQ-AZUAARDMSA-N 2 1 326.484 3.447 20 0 EGADMP Cc1ccc(C[NH+]2CCSCC2)cc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000679099993 549634813 /nfs/dbraw/zinc/63/48/13/549634813.db2.gz YDDZIPZNQHKCMT-AEFFLSMTSA-N 2 1 333.545 3.438 20 0 EGADMP C[C@@H]([NH2+]Cc1cnc2ccccn12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679288028 549679966 /nfs/dbraw/zinc/67/99/66/549679966.db2.gz BOVMEVYUPHQKCF-MJGOQNOKSA-N 2 1 334.467 3.335 20 0 EGADMP COC[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000680352257 549854166 /nfs/dbraw/zinc/85/41/66/549854166.db2.gz MUCLSAGUBLXUOX-BQJUDKOJSA-N 2 1 328.500 3.302 20 0 EGADMP Cn1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(C(F)F)n1 ZINC000681166702 549963500 /nfs/dbraw/zinc/96/35/00/549963500.db2.gz RXQJEMRPWUCONL-UHFFFAOYSA-N 2 1 340.462 3.446 20 0 EGADMP Fc1ccc(COC2CC[NH+]([C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000682075067 550069411 /nfs/dbraw/zinc/06/94/11/550069411.db2.gz GBARTHNVTCAEDC-OALUTQOASA-N 2 1 332.463 3.434 20 0 EGADMP C[C@H](C[NH2+][C@H](C)c1ccc(Br)cn1)C[NH+]1CCCC1 ZINC000684550987 550341529 /nfs/dbraw/zinc/34/15/29/550341529.db2.gz OMWNEXXMUALJHI-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@@]1(CCCO)CCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685463803 550420793 /nfs/dbraw/zinc/42/07/93/550420793.db2.gz BJPNWHPRGCEZMH-NRFANRHFSA-N 2 1 346.515 3.288 20 0 EGADMP Fc1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000685841510 550447112 /nfs/dbraw/zinc/44/71/12/550447112.db2.gz FXYLOWUKEHWFAW-QGZVFWFLSA-N 2 1 340.870 3.255 20 0 EGADMP CC(C)Cc1ccc([C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C2CC2)cc1 ZINC000685571640 576192637 /nfs/dbraw/zinc/19/26/37/576192637.db2.gz LPTQHKDRNZAMJS-SFTDATJTSA-N 2 1 330.516 3.381 20 0 EGADMP CC(C)Cc1ccc([C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C2CC2)cc1 ZINC000685571640 576192641 /nfs/dbraw/zinc/19/26/41/576192641.db2.gz LPTQHKDRNZAMJS-SFTDATJTSA-N 2 1 330.516 3.381 20 0 EGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C2=O)cc1 ZINC000742706581 576793700 /nfs/dbraw/zinc/79/37/00/576793700.db2.gz NMYDNOAYBGULEM-OALUTQOASA-N 2 1 345.531 3.446 20 0 EGADMP COc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)ccc1OCc1ccncc1 ZINC000895300330 1309276091 /nfs/dbraw/zinc/27/60/91/1309276091.db2.gz UDHBIPYJDNUNDJ-INIZCTEOSA-N 2 1 343.471 3.099 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000052210110 1291699148 /nfs/dbraw/zinc/69/91/48/1291699148.db2.gz VOJCGZHEAOJGJX-IBGZPJMESA-N 2 1 340.458 3.442 20 0 EGADMP COc1ccccc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000063524694 1292013944 /nfs/dbraw/zinc/01/39/44/1292013944.db2.gz DVZUIWICCLLJPM-KRWDZBQOSA-N 2 1 340.467 3.206 20 0 EGADMP COc1ccccc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000063524694 1292013952 /nfs/dbraw/zinc/01/39/52/1292013952.db2.gz DVZUIWICCLLJPM-KRWDZBQOSA-N 2 1 340.467 3.206 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000063917570 1292031218 /nfs/dbraw/zinc/03/12/18/1292031218.db2.gz BYOZCRISJKHTQP-AWEZNQCLSA-N 2 1 338.879 3.323 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000063917570 1292031223 /nfs/dbraw/zinc/03/12/23/1292031223.db2.gz BYOZCRISJKHTQP-AWEZNQCLSA-N 2 1 338.879 3.323 20 0 EGADMP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCCC2)c1)Cc1ccccc1 ZINC000064458438 1292059616 /nfs/dbraw/zinc/05/96/16/1292059616.db2.gz SBUQBJRXIFWDSW-UHFFFAOYSA-N 2 1 337.467 3.353 20 0 EGADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCCC2)c1)Cc1ccccc1 ZINC000064458438 1292059623 /nfs/dbraw/zinc/05/96/23/1292059623.db2.gz SBUQBJRXIFWDSW-UHFFFAOYSA-N 2 1 337.467 3.353 20 0 EGADMP Cc1cc(C)cc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000065932561 1292097626 /nfs/dbraw/zinc/09/76/26/1292097626.db2.gz OXLFMHSFMOOUQQ-UHFFFAOYSA-N 2 1 337.511 3.341 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000067222742 1292154677 /nfs/dbraw/zinc/15/46/77/1292154677.db2.gz SHTIJTJUHQQSTH-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000067222742 1292154682 /nfs/dbraw/zinc/15/46/82/1292154682.db2.gz SHTIJTJUHQQSTH-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)CCCn1cc[nH+]c1C)c1ccsc1 ZINC000069001819 1292225625 /nfs/dbraw/zinc/22/56/25/1292225625.db2.gz QMAJVVQMIIXNKQ-QGZVFWFLSA-N 2 1 348.516 3.233 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000069160343 1292233309 /nfs/dbraw/zinc/23/33/09/1292233309.db2.gz PGTMKGYWONTDSC-FQEVSTJZSA-N 2 1 339.483 3.482 20 0 EGADMP FC(F)(F)c1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000076762994 1292441282 /nfs/dbraw/zinc/44/12/82/1292441282.db2.gz GHXKGCJQMFSDIF-OAHLLOKOSA-N 2 1 342.405 3.296 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000078047889 1292493829 /nfs/dbraw/zinc/49/38/29/1292493829.db2.gz IEXKMQSEQMMWGA-MRXNPFEDSA-N 2 1 339.524 3.048 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000108429071 1293081335 /nfs/dbraw/zinc/08/13/35/1293081335.db2.gz YYWSCZCDHBKZJI-ZDUSSCGKSA-N 2 1 326.868 3.179 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000108429071 1293081341 /nfs/dbraw/zinc/08/13/41/1293081341.db2.gz YYWSCZCDHBKZJI-ZDUSSCGKSA-N 2 1 326.868 3.179 20 0 EGADMP CC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)OCCO1 ZINC000834764948 1293143988 /nfs/dbraw/zinc/14/39/88/1293143988.db2.gz JKBUJSKOXLGIGB-AQNXPRMDSA-N 2 1 344.499 3.172 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834802951 1293151217 /nfs/dbraw/zinc/15/12/17/1293151217.db2.gz HIUQLNUCYYRZKF-JYJNAYRXSA-N 2 1 327.513 3.093 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834802951 1293151221 /nfs/dbraw/zinc/15/12/21/1293151221.db2.gz HIUQLNUCYYRZKF-JYJNAYRXSA-N 2 1 327.513 3.093 20 0 EGADMP C[C@H]1CC[N@@H+](Cn2ccc(-c3ccsc3)n2)C[C@@H]1n1ccnc1 ZINC000121495084 1293374836 /nfs/dbraw/zinc/37/48/36/1293374836.db2.gz OOVHFUYHCVMOOI-YOEHRIQHSA-N 2 1 327.457 3.349 20 0 EGADMP C[C@H]1CCN(Cn2ccc(-c3ccsc3)n2)C[C@@H]1n1ccnc1 ZINC000121495084 1293374846 /nfs/dbraw/zinc/37/48/46/1293374846.db2.gz OOVHFUYHCVMOOI-YOEHRIQHSA-N 2 1 327.457 3.349 20 0 EGADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cnc(C2CC2)s1 ZINC000134257296 1293768404 /nfs/dbraw/zinc/76/84/04/1293768404.db2.gz RQCWTWITMRQNDH-UHFFFAOYSA-N 2 1 331.485 3.251 20 0 EGADMP Cc1cc(C[C@@H](C)[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)[nH]n1 ZINC000136769596 1293821739 /nfs/dbraw/zinc/82/17/39/1293821739.db2.gz JAVGXSKPRDGMDK-MRXNPFEDSA-N 2 1 328.504 3.397 20 0 EGADMP Cc1cc(C[C@@H](C)[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)n[nH]1 ZINC000136769596 1293821749 /nfs/dbraw/zinc/82/17/49/1293821749.db2.gz JAVGXSKPRDGMDK-MRXNPFEDSA-N 2 1 328.504 3.397 20 0 EGADMP Cc1cc(C[C@@H](C)[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)n[nH]1 ZINC000136769596 1293821756 /nfs/dbraw/zinc/82/17/56/1293821756.db2.gz JAVGXSKPRDGMDK-MRXNPFEDSA-N 2 1 328.504 3.397 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(Cn2ccc(C(F)(F)F)n2)CC1 ZINC000151804685 1293939454 /nfs/dbraw/zinc/93/94/54/1293939454.db2.gz XLTURUWWBCTHGC-UHFFFAOYSA-N 2 1 332.414 3.303 20 0 EGADMP CC(=O)N1CCC([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CC1 ZINC000152354843 1293965609 /nfs/dbraw/zinc/96/56/09/1293965609.db2.gz NLSKZJFLKPPRBO-KRWDZBQOSA-N 2 1 343.515 3.251 20 0 EGADMP CN(C[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1)C(=O)OC(C)(C)C ZINC000161320303 1294289266 /nfs/dbraw/zinc/28/92/66/1294289266.db2.gz PVNACPPJYAPMGS-QGZVFWFLSA-N 2 1 339.524 3.194 20 0 EGADMP CN(C[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1)C(=O)OC(C)(C)C ZINC000161320303 1294289273 /nfs/dbraw/zinc/28/92/73/1294289273.db2.gz PVNACPPJYAPMGS-QGZVFWFLSA-N 2 1 339.524 3.194 20 0 EGADMP CC(C)[NH+](CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000182684321 1295067378 /nfs/dbraw/zinc/06/73/78/1295067378.db2.gz NIPWYUMNKSPMBW-KRWDZBQOSA-N 2 1 341.540 3.484 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccc(F)nc1 ZINC000189147075 1295503460 /nfs/dbraw/zinc/50/34/60/1295503460.db2.gz OBJNZJMOCBSJPB-HZPDHXFCSA-N 2 1 327.447 3.467 20 0 EGADMP C[C@H]([NH2+]CC1CCC2(CC1)OCCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000190334027 1295584550 /nfs/dbraw/zinc/58/45/50/1295584550.db2.gz RNSZQWQOYKQFAJ-WMZOPIPTSA-N 2 1 336.520 3.162 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cc(O)ccc3F)CC2)nc(C)[nH+]1 ZINC000872041702 1296691934 /nfs/dbraw/zinc/69/19/34/1296691934.db2.gz KGBOIUHNWWIVDJ-CYBMUJFWSA-N 2 1 344.434 3.258 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(C(F)(F)F)co3)C2)C1 ZINC000872145654 1296767841 /nfs/dbraw/zinc/76/78/41/1296767841.db2.gz VWIOQYDXWWGASW-LNSITVRQSA-N 2 1 332.366 3.017 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(C(F)(F)F)co2)C1 ZINC000872145942 1296768076 /nfs/dbraw/zinc/76/80/76/1296768076.db2.gz ZRNFSOHCMMZDNV-YUELXQCFSA-N 2 1 332.366 3.159 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(C(F)(F)F)co2)C1 ZINC000872145942 1296768086 /nfs/dbraw/zinc/76/80/86/1296768086.db2.gz ZRNFSOHCMMZDNV-YUELXQCFSA-N 2 1 332.366 3.159 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000305147412 1296987049 /nfs/dbraw/zinc/98/70/49/1296987049.db2.gz KJLJBNUFSWBMCE-ULQDDVLXSA-N 2 1 341.540 3.484 20 0 EGADMP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)cc(Cl)c1 ZINC000305318854 1297010379 /nfs/dbraw/zinc/01/03/79/1297010379.db2.gz KXGYASXPWNMTTQ-ARFHVFGLSA-N 2 1 329.271 3.243 20 0 EGADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)cc(Cl)c1 ZINC000305318854 1297010394 /nfs/dbraw/zinc/01/03/94/1297010394.db2.gz KXGYASXPWNMTTQ-ARFHVFGLSA-N 2 1 329.271 3.243 20 0 EGADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000305344547 1297010475 /nfs/dbraw/zinc/01/04/75/1297010475.db2.gz XPHHNACDZGXEKH-IAGOWNOFSA-N 2 1 341.540 3.484 20 0 EGADMP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C12CCC2 ZINC000308401851 1297069791 /nfs/dbraw/zinc/06/97/91/1297069791.db2.gz XIMKFXSBURFKHB-SLFFLAALSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000309964181 1297080162 /nfs/dbraw/zinc/08/01/62/1297080162.db2.gz JYTZPDOJPGFPES-HNNXBMFYSA-N 2 1 327.513 3.144 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000310016431 1297083389 /nfs/dbraw/zinc/08/33/89/1297083389.db2.gz RTZXSUKIEZRUQW-YVSFHVDLSA-N 2 1 337.508 3.039 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000310095177 1297089563 /nfs/dbraw/zinc/08/95/63/1297089563.db2.gz UOUNZMUEQKCEKE-GHTZIAJQSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000310095177 1297089577 /nfs/dbraw/zinc/08/95/77/1297089577.db2.gz UOUNZMUEQKCEKE-GHTZIAJQSA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)[C@@H](n2cncn2)C1 ZINC000340471166 1297312878 /nfs/dbraw/zinc/31/28/78/1297312878.db2.gz CETWIQPAEAYWQF-XWSJACJDSA-N 2 1 333.524 3.110 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386046399 1297586731 /nfs/dbraw/zinc/58/67/31/1297586731.db2.gz UKTYOBHOUSREJA-BRWVUGGUSA-N 2 1 341.540 3.483 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386046399 1297586739 /nfs/dbraw/zinc/58/67/39/1297586739.db2.gz UKTYOBHOUSREJA-BRWVUGGUSA-N 2 1 341.540 3.483 20 0 EGADMP C[C@]1(C[NH2+]Cc2cccc3c2OCO3)CC[N@H+](Cc2ccccc2)C1 ZINC000386226497 1297588878 /nfs/dbraw/zinc/58/88/78/1297588878.db2.gz ZSGYMVLQJVGCDO-OAQYLSRUSA-N 2 1 338.451 3.417 20 0 EGADMP C[C@]1(C[NH2+]Cc2cccc3c2OCO3)CC[N@@H+](Cc2ccccc2)C1 ZINC000386226497 1297588881 /nfs/dbraw/zinc/58/88/81/1297588881.db2.gz ZSGYMVLQJVGCDO-OAQYLSRUSA-N 2 1 338.451 3.417 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000404281126 1297749021 /nfs/dbraw/zinc/74/90/21/1297749021.db2.gz PPIXHHNKDMDNQS-FPPGBKCQSA-N 2 1 343.515 3.014 20 0 EGADMP CC(C)[C@H](C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C)[C@@H](C)[NH3+] ZINC000404373745 1297750793 /nfs/dbraw/zinc/75/07/93/1297750793.db2.gz SKNPELMXKVGMEJ-JAYZULETSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)(C)OC(=O)NC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCC1 ZINC000699594941 1298170733 /nfs/dbraw/zinc/17/07/33/1298170733.db2.gz MTKPJEGSFNZXAQ-UHFFFAOYSA-N 2 1 337.508 3.040 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700805379 1298180524 /nfs/dbraw/zinc/18/05/24/1298180524.db2.gz SHZVTBPWZOIEQO-SJORKVTESA-N 2 1 341.540 3.105 20 0 EGADMP CC[C@@H]1CCC[C@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000702635376 1298194559 /nfs/dbraw/zinc/19/45/59/1298194559.db2.gz JGBKMWHXVIXAPR-GIVPXCGWSA-N 2 1 330.516 3.429 20 0 EGADMP CC[C@@H]1CCC[C@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000702635376 1298194570 /nfs/dbraw/zinc/19/45/70/1298194570.db2.gz JGBKMWHXVIXAPR-GIVPXCGWSA-N 2 1 330.516 3.429 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000704046823 1298204566 /nfs/dbraw/zinc/20/45/66/1298204566.db2.gz WBDMXHYVGQIMEL-FFGOWVMKSA-N 2 1 343.515 3.063 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc2ccccc2n1 ZINC000708574433 1298242918 /nfs/dbraw/zinc/24/29/18/1298242918.db2.gz NVIVVKIOKSHVRC-IEBWSBKVSA-N 2 1 346.478 3.488 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc2ccccc2n1 ZINC000708574433 1298242923 /nfs/dbraw/zinc/24/29/23/1298242923.db2.gz NVIVVKIOKSHVRC-IEBWSBKVSA-N 2 1 346.478 3.488 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn2ccccc12 ZINC000708588442 1298244304 /nfs/dbraw/zinc/24/43/04/1298244304.db2.gz UMDGXZZFRQJCPT-XLIONFOSSA-N 2 1 334.467 3.192 20 0 EGADMP C[C@@H]1CCC[C@H](C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000711807219 1298262186 /nfs/dbraw/zinc/26/21/86/1298262186.db2.gz CGTYVZBZVSTWKU-GIVPXCGWSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1CCC[C@H](C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000711807219 1298262194 /nfs/dbraw/zinc/26/21/94/1298262194.db2.gz CGTYVZBZVSTWKU-GIVPXCGWSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1CCC[C@H](C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000711807219 1298262199 /nfs/dbraw/zinc/26/21/99/1298262199.db2.gz CGTYVZBZVSTWKU-GIVPXCGWSA-N 2 1 330.516 3.382 20 0 EGADMP C[C@@H]1CCC[C@H](C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000711807219 1298262207 /nfs/dbraw/zinc/26/22/07/1298262207.db2.gz CGTYVZBZVSTWKU-GIVPXCGWSA-N 2 1 330.516 3.382 20 0 EGADMP Cc1nc(C)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000723603584 1298341028 /nfs/dbraw/zinc/34/10/28/1298341028.db2.gz VDOSHBRKXIHNJY-MOPGFXCFSA-N 2 1 325.456 3.245 20 0 EGADMP Cc1nc(C)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000723603584 1298341035 /nfs/dbraw/zinc/34/10/35/1298341035.db2.gz VDOSHBRKXIHNJY-MOPGFXCFSA-N 2 1 325.456 3.245 20 0 EGADMP Cc1nc(C)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000723603584 1298341046 /nfs/dbraw/zinc/34/10/46/1298341046.db2.gz VDOSHBRKXIHNJY-MOPGFXCFSA-N 2 1 325.456 3.245 20 0 EGADMP Cc1nc(C)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000723603584 1298341055 /nfs/dbraw/zinc/34/10/55/1298341055.db2.gz VDOSHBRKXIHNJY-MOPGFXCFSA-N 2 1 325.456 3.245 20 0 EGADMP Cc1nc(C)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000723603591 1298341176 /nfs/dbraw/zinc/34/11/76/1298341176.db2.gz VDOSHBRKXIHNJY-RBUKOAKNSA-N 2 1 325.456 3.245 20 0 EGADMP Cc1nc(C)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000723603591 1298341187 /nfs/dbraw/zinc/34/11/87/1298341187.db2.gz VDOSHBRKXIHNJY-RBUKOAKNSA-N 2 1 325.456 3.245 20 0 EGADMP Cc1nc(C)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000723603591 1298341200 /nfs/dbraw/zinc/34/12/00/1298341200.db2.gz VDOSHBRKXIHNJY-RBUKOAKNSA-N 2 1 325.456 3.245 20 0 EGADMP Cc1nc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000723603591 1298341211 /nfs/dbraw/zinc/34/12/11/1298341211.db2.gz VDOSHBRKXIHNJY-RBUKOAKNSA-N 2 1 325.456 3.245 20 0 EGADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CCCC1 ZINC000724029351 1298344478 /nfs/dbraw/zinc/34/44/78/1298344478.db2.gz PXPXLVZBBVPHPJ-HZPDHXFCSA-N 2 1 339.524 3.144 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000747622231 1298810366 /nfs/dbraw/zinc/81/03/66/1298810366.db2.gz OBJQEGPZIROTTG-UHFFFAOYSA-N 2 1 327.472 3.214 20 0 EGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCCCCC[NH+](C)C)C[C@@H]1C ZINC000748961881 1299117797 /nfs/dbraw/zinc/11/77/97/1299117797.db2.gz XOXSYLNZLIMRAK-ZWKOTPCHSA-N 2 1 340.556 3.013 20 0 EGADMP CC1(C)C(=O)N(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1(C)C ZINC000749166254 1299158082 /nfs/dbraw/zinc/15/80/82/1299158082.db2.gz RLPMMQGOLAKXNO-UHFFFAOYSA-N 2 1 335.536 3.179 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)CCCCCC[NH3+])CC1 ZINC000877295732 1299238168 /nfs/dbraw/zinc/23/81/68/1299238168.db2.gz VEDJTXPRLRDORF-IBGZPJMESA-N 2 1 349.494 3.330 20 0 EGADMP C[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)[C@@H]1CCCO1 ZINC000753724979 1300010940 /nfs/dbraw/zinc/01/09/40/1300010940.db2.gz LZUXXCSYENNWKW-UZLBHIALSA-N 2 1 331.504 3.444 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000756102732 1300439554 /nfs/dbraw/zinc/43/95/54/1300439554.db2.gz QAWDUVPAHLHICU-MRXNPFEDSA-N 2 1 348.491 3.250 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000756102732 1300439556 /nfs/dbraw/zinc/43/95/56/1300439556.db2.gz QAWDUVPAHLHICU-MRXNPFEDSA-N 2 1 348.491 3.250 20 0 EGADMP FC[C@@H]1CC[N@@H+](Cc2ccc(F)c(C[NH+]3CC[C@H](CF)C3)c2)C1 ZINC000880300163 1301038361 /nfs/dbraw/zinc/03/83/61/1301038361.db2.gz OVAWPMJTIUPVLQ-JKSUJKDBSA-N 2 1 326.406 3.409 20 0 EGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000880517557 1301145853 /nfs/dbraw/zinc/14/58/53/1301145853.db2.gz SFNURVZZNWBGCW-SFHVURJKSA-N 2 1 326.431 3.196 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCC1 ZINC000763008933 1301802360 /nfs/dbraw/zinc/80/23/60/1301802360.db2.gz JORSYWQALRAUGR-QGZVFWFLSA-N 2 1 349.906 3.077 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000765357487 1302252461 /nfs/dbraw/zinc/25/24/61/1302252461.db2.gz DIHJMLDMVZSLIG-ZACQAIPSSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccnc(Cl)c1 ZINC000765405092 1302260666 /nfs/dbraw/zinc/26/06/66/1302260666.db2.gz GIUUEWMOXHIIEP-QLFBSQMISA-N 2 1 325.884 3.275 20 0 EGADMP c1ccc2c(c1)CCSC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765978323 1302363397 /nfs/dbraw/zinc/36/33/97/1302363397.db2.gz UKTFIFWSYNRSOZ-UYAOXDASSA-N 2 1 346.540 3.250 20 0 EGADMP C[C@@H]1CCC[N@@H+]1CCNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000766268315 1302418423 /nfs/dbraw/zinc/41/84/23/1302418423.db2.gz JSPIJJSTIAOOOR-MRXNPFEDSA-N 2 1 335.923 3.378 20 0 EGADMP C[C@@H]1CCC[N@H+]1CCNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000766268315 1302418430 /nfs/dbraw/zinc/41/84/30/1302418430.db2.gz JSPIJJSTIAOOOR-MRXNPFEDSA-N 2 1 335.923 3.378 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC2(COC2)CC1 ZINC000883378188 1302421963 /nfs/dbraw/zinc/42/19/63/1302421963.db2.gz BTANLSQFSBTXQI-FXAWDEMLSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC2(COC2)CC1 ZINC000883378188 1302421964 /nfs/dbraw/zinc/42/19/64/1302421964.db2.gz BTANLSQFSBTXQI-FXAWDEMLSA-N 2 1 328.500 3.446 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C[C@@H]1C(F)(F)F ZINC000883441054 1302444793 /nfs/dbraw/zinc/44/47/93/1302444793.db2.gz GNRDQHPHXWFNPT-LTIDMASMSA-N 2 1 342.405 3.366 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C[C@@H]1C(F)(F)F ZINC000883441054 1302444799 /nfs/dbraw/zinc/44/47/99/1302444799.db2.gz GNRDQHPHXWFNPT-LTIDMASMSA-N 2 1 342.405 3.366 20 0 EGADMP Cc1[nH]c(C2CC[NH+](C[C@H]3CCC4(CCOCC4)CO3)CC2)[nH+]c1C ZINC000886659386 1303541267 /nfs/dbraw/zinc/54/12/67/1303541267.db2.gz LJTIETINSLRUEY-GOSISDBHSA-N 2 1 347.503 3.182 20 0 EGADMP COC(=O)c1ccc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cc1F ZINC000886664815 1303545870 /nfs/dbraw/zinc/54/58/70/1303545870.db2.gz YDBFRAGHQXUSMP-UHFFFAOYSA-N 2 1 345.418 3.332 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)NC3CCCCC3)CC2)[nH+]c1C ZINC000886670941 1303550492 /nfs/dbraw/zinc/55/04/92/1303550492.db2.gz ZDHZWDBQDPBKKI-HNNXBMFYSA-N 2 1 332.492 3.043 20 0 EGADMP CCC1([NH+]2CCC2)CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000886709490 1303573699 /nfs/dbraw/zinc/57/36/99/1303573699.db2.gz RSBFJWRSPOKRRI-UHFFFAOYSA-N 2 1 333.451 3.105 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)c2cc1C ZINC000886874063 1303621457 /nfs/dbraw/zinc/62/14/57/1303621457.db2.gz FQOHINSFHUMQMH-NRFANRHFSA-N 2 1 340.467 3.375 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)c2cc1C ZINC000886874063 1303621461 /nfs/dbraw/zinc/62/14/61/1303621461.db2.gz FQOHINSFHUMQMH-NRFANRHFSA-N 2 1 340.467 3.375 20 0 EGADMP CC(C)CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1(C)C ZINC000776159641 1304103746 /nfs/dbraw/zinc/10/37/46/1304103746.db2.gz YOOVUWLTHPUHDZ-IPMKNSEASA-N 2 1 338.536 3.059 20 0 EGADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000781920967 1304891343 /nfs/dbraw/zinc/89/13/43/1304891343.db2.gz CGJNBPPDKNFINK-IFMALSPDSA-N 2 1 336.479 3.339 20 0 EGADMP c1ccc(OCCCCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000783627741 1305120472 /nfs/dbraw/zinc/12/04/72/1305120472.db2.gz ICEUNZUBBDVXRS-OAQYLSRUSA-N 2 1 346.515 3.469 20 0 EGADMP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000891670634 1305130173 /nfs/dbraw/zinc/13/01/73/1305130173.db2.gz ILUCXZGZAZSOBX-NVXWUHKLSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(O)c(F)c3)c2)CCO1 ZINC000892677206 1305501415 /nfs/dbraw/zinc/50/14/15/1305501415.db2.gz WIGZBUZXVQSRMO-HNNXBMFYSA-N 2 1 344.430 3.042 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(O)c(F)c3)c2)CCO1 ZINC000892677206 1305501421 /nfs/dbraw/zinc/50/14/21/1305501421.db2.gz WIGZBUZXVQSRMO-HNNXBMFYSA-N 2 1 344.430 3.042 20 0 EGADMP CC[NH+](CC)Cc1ccc(NC(=O)CCCn2cc[nH+]c2C)cc1 ZINC000787505200 1305750801 /nfs/dbraw/zinc/75/08/01/1305750801.db2.gz CTNIIODGIJYZSJ-UHFFFAOYSA-N 2 1 328.460 3.452 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000894312593 1306337349 /nfs/dbraw/zinc/33/73/49/1306337349.db2.gz LSJIHEMVBPRBDN-LSDHHAIUSA-N 2 1 343.471 3.225 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000894312593 1306337356 /nfs/dbraw/zinc/33/73/56/1306337356.db2.gz LSJIHEMVBPRBDN-LSDHHAIUSA-N 2 1 343.471 3.225 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000796696867 1310065523 /nfs/dbraw/zinc/06/55/23/1310065523.db2.gz WCCGBJYRYJQYGG-CQSZACIVSA-N 2 1 328.884 3.276 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000798184761 1310314130 /nfs/dbraw/zinc/31/41/30/1310314130.db2.gz DXIYEZIOUHNNRV-INIZCTEOSA-N 2 1 341.540 3.296 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000798184761 1310314136 /nfs/dbraw/zinc/31/41/36/1310314136.db2.gz DXIYEZIOUHNNRV-INIZCTEOSA-N 2 1 341.540 3.296 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000798184761 1310314142 /nfs/dbraw/zinc/31/41/42/1310314142.db2.gz DXIYEZIOUHNNRV-INIZCTEOSA-N 2 1 341.540 3.296 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000798184761 1310314147 /nfs/dbraw/zinc/31/41/47/1310314147.db2.gz DXIYEZIOUHNNRV-INIZCTEOSA-N 2 1 341.540 3.296 20 0 EGADMP Cc1cc(C(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)n1C1CC1 ZINC000799178342 1310500588 /nfs/dbraw/zinc/50/05/88/1310500588.db2.gz UJKKCRZAQXCCHO-UHFFFAOYSA-N 2 1 343.515 3.430 20 0 EGADMP Cc1cc(C(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)n1C1CC1 ZINC000799178342 1310500596 /nfs/dbraw/zinc/50/05/96/1310500596.db2.gz UJKKCRZAQXCCHO-UHFFFAOYSA-N 2 1 343.515 3.430 20 0 EGADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799179365 1310500733 /nfs/dbraw/zinc/50/07/33/1310500733.db2.gz JRKLSDSKJAYMRE-SFHVURJKSA-N 2 1 343.515 3.438 20 0 EGADMP C(=C/C[N@H+]1CC[C@@H](c2ccccn2)C1)\C[NH+]1CC[C@H](c2ccccn2)C1 ZINC000799192908 1310506097 /nfs/dbraw/zinc/50/60/97/1310506097.db2.gz FBUHRQSRJYNRKS-VGIQHARFSA-N 2 1 348.494 3.312 20 0 EGADMP C(=C/C[N@@H+]1CC[C@H](c2ccccn2)C1)\C[NH+]1CC[C@@H](c2ccccn2)C1 ZINC000799192908 1310506105 /nfs/dbraw/zinc/50/61/05/1310506105.db2.gz FBUHRQSRJYNRKS-VGIQHARFSA-N 2 1 348.494 3.312 20 0 EGADMP C(=C/C[N@H+]1CC[C@H](c2ccccn2)C1)\C[NH+]1CC[C@@H](c2ccccn2)C1 ZINC000799192908 1310506111 /nfs/dbraw/zinc/50/61/11/1310506111.db2.gz FBUHRQSRJYNRKS-VGIQHARFSA-N 2 1 348.494 3.312 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000818980421 1319601936 /nfs/dbraw/zinc/60/19/36/1319601936.db2.gz KCJZWKYHONVMBJ-KRWDZBQOSA-N 2 1 328.859 3.223 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023761461 1319905369 /nfs/dbraw/zinc/90/53/69/1319905369.db2.gz AHWOSDGCESYRHN-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001023761461 1319905375 /nfs/dbraw/zinc/90/53/75/1319905375.db2.gz AHWOSDGCESYRHN-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001023761461 1319905379 /nfs/dbraw/zinc/90/53/79/1319905379.db2.gz AHWOSDGCESYRHN-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)C1CCC(NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000857291105 1328526852 /nfs/dbraw/zinc/52/68/52/1328526852.db2.gz TUZJJSPPDKCSHF-HDYDNRTBSA-N 2 1 343.515 3.098 20 0 EGADMP C[NH+](C)Cc1cnc(CN2C[C@@H]([NH+](C)C)CCc3ccccc32)s1 ZINC000857899888 1328619446 /nfs/dbraw/zinc/61/94/46/1328619446.db2.gz RRMUSJMWKLEDSA-INIZCTEOSA-N 2 1 344.528 3.088 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CCOC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000801869443 1316959532 /nfs/dbraw/zinc/95/95/32/1316959532.db2.gz CDESQANTPXEKHQ-LJQANCHMSA-N 2 1 330.472 3.314 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001019259604 1317132469 /nfs/dbraw/zinc/13/24/69/1317132469.db2.gz SKIMRMYMEIKXPE-BJLQDIEVSA-N 2 1 343.515 3.039 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)c2C1 ZINC000900528581 1317301265 /nfs/dbraw/zinc/30/12/65/1317301265.db2.gz HQUUVHJVDKEGEQ-APWZRJJASA-N 2 1 327.472 3.368 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)c2C1 ZINC000900528581 1317301275 /nfs/dbraw/zinc/30/12/75/1317301275.db2.gz HQUUVHJVDKEGEQ-APWZRJJASA-N 2 1 327.472 3.368 20 0 EGADMP CCC[NH+]1Cc2cccc(NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)c2C1 ZINC000900528581 1317301284 /nfs/dbraw/zinc/30/12/84/1317301284.db2.gz HQUUVHJVDKEGEQ-APWZRJJASA-N 2 1 327.472 3.368 20 0 EGADMP CCC[NH+]1Cc2cccc(NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)c2C1 ZINC000900528581 1317301291 /nfs/dbraw/zinc/30/12/91/1317301291.db2.gz HQUUVHJVDKEGEQ-APWZRJJASA-N 2 1 327.472 3.368 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C1C[NH+](CC2CCCCCC2)C1 ZINC000957424530 1317348639 /nfs/dbraw/zinc/34/86/39/1317348639.db2.gz ZXCBRLBVOOVZTB-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC2)CC1 ZINC000957621059 1317501815 /nfs/dbraw/zinc/50/18/15/1317501815.db2.gz VPFATGDUPHBPGT-RTBURBONSA-N 2 1 347.547 3.118 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001020156287 1317567149 /nfs/dbraw/zinc/56/71/49/1317567149.db2.gz FEVAHRMZGXGKKO-FHWLQOOXSA-N 2 1 347.547 3.068 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902437216 1317578651 /nfs/dbraw/zinc/57/86/51/1317578651.db2.gz HGSULALSFOKJNB-IDZYALCFSA-N 2 1 335.495 3.111 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC(C[N@@H+](CC)C(C)C)CC1 ZINC000957716268 1317585930 /nfs/dbraw/zinc/58/59/30/1317585930.db2.gz ZYJCAWCRVSEETE-KRWDZBQOSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC(C[N@H+](CC)C(C)C)CC1 ZINC000957716268 1317585935 /nfs/dbraw/zinc/58/59/35/1317585935.db2.gz ZYJCAWCRVSEETE-KRWDZBQOSA-N 2 1 348.535 3.366 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001020214330 1317595957 /nfs/dbraw/zinc/59/59/57/1317595957.db2.gz PVACDQSJCZYXPP-WTGUMLROSA-N 2 1 343.515 3.249 20 0 EGADMP CCC[N@H+](CN1C[C@H](C)CC1=O)C1CCN(Cc2ccccc2)CC1 ZINC000902641102 1317601421 /nfs/dbraw/zinc/60/14/21/1317601421.db2.gz WNWHQAUYBRMEDO-GOSISDBHSA-N 2 1 343.515 3.189 20 0 EGADMP CCC[N@@H+](CN1C[C@H](C)CC1=O)C1CCN(Cc2ccccc2)CC1 ZINC000902641102 1317601428 /nfs/dbraw/zinc/60/14/28/1317601428.db2.gz WNWHQAUYBRMEDO-GOSISDBHSA-N 2 1 343.515 3.189 20 0 EGADMP COC(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(C)c1 ZINC000902791345 1317616207 /nfs/dbraw/zinc/61/62/07/1317616207.db2.gz UQRPVXDYGKDTQP-UKRRQHHQSA-N 2 1 329.444 3.273 20 0 EGADMP CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000902948063 1317633502 /nfs/dbraw/zinc/63/35/02/1317633502.db2.gz OVWBUDQDRBCXIG-NJDAHSKKSA-N 2 1 346.515 3.081 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2CC(C)(C)CC2=O)CC1 ZINC000808172879 1317639115 /nfs/dbraw/zinc/63/91/15/1317639115.db2.gz YDKIOWGNCSCCOE-QGZVFWFLSA-N 2 1 335.536 3.179 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2CC(C)(C)CC2=O)CC1 ZINC000808172879 1317639123 /nfs/dbraw/zinc/63/91/23/1317639123.db2.gz YDKIOWGNCSCCOE-QGZVFWFLSA-N 2 1 335.536 3.179 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC000957779648 1317642597 /nfs/dbraw/zinc/64/25/97/1317642597.db2.gz SCJOJPIGBGIKOQ-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000957782566 1317644326 /nfs/dbraw/zinc/64/43/26/1317644326.db2.gz IYEYVTWVBDWSGH-AZUAARDMSA-N 2 1 343.515 3.075 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000957782566 1317644331 /nfs/dbraw/zinc/64/43/31/1317644331.db2.gz IYEYVTWVBDWSGH-AZUAARDMSA-N 2 1 343.515 3.075 20 0 EGADMP c1cnn(Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)cc2)c1 ZINC000903061496 1317645617 /nfs/dbraw/zinc/64/56/17/1317645617.db2.gz FGCXSYRNZZQXOE-VCSGRIEYSA-N 2 1 336.483 3.179 20 0 EGADMP c1ccc(CN2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903065946 1317646686 /nfs/dbraw/zinc/64/66/86/1317646686.db2.gz JEEDDCSCZCJRFJ-CLORWUCXSA-N 2 1 339.527 3.398 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)cc1 ZINC000903065946 1317646694 /nfs/dbraw/zinc/64/66/94/1317646694.db2.gz JEEDDCSCZCJRFJ-CLORWUCXSA-N 2 1 339.527 3.398 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)cc1 ZINC000903065946 1317646699 /nfs/dbraw/zinc/64/66/99/1317646699.db2.gz JEEDDCSCZCJRFJ-CLORWUCXSA-N 2 1 339.527 3.398 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cc1 ZINC000903065946 1317646708 /nfs/dbraw/zinc/64/67/08/1317646708.db2.gz JEEDDCSCZCJRFJ-CLORWUCXSA-N 2 1 339.527 3.398 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903065946 1317646715 /nfs/dbraw/zinc/64/67/15/1317646715.db2.gz JEEDDCSCZCJRFJ-CLORWUCXSA-N 2 1 339.527 3.398 20 0 EGADMP c1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)cc1 ZINC000903075989 1317648346 /nfs/dbraw/zinc/64/83/46/1317648346.db2.gz IJXSLPJWUQDEJA-PRJVBOEPSA-N 2 1 325.500 3.403 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1OCCc2sccc21 ZINC000903174501 1317668529 /nfs/dbraw/zinc/66/85/29/1317668529.db2.gz KLRJYDHLIROOHY-KWADUKGPSA-N 2 1 332.513 3.498 20 0 EGADMP C[C@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000903172594 1317668982 /nfs/dbraw/zinc/66/89/82/1317668982.db2.gz SDFZWRATCUORNV-PHASAHSISA-N 2 1 339.527 3.397 20 0 EGADMP C[C@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC[NH+]1Cc1ccccc1 ZINC000903172594 1317668989 /nfs/dbraw/zinc/66/89/89/1317668989.db2.gz SDFZWRATCUORNV-PHASAHSISA-N 2 1 339.527 3.397 20 0 EGADMP C[C@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC[NH+]1Cc1ccccc1 ZINC000903172594 1317668995 /nfs/dbraw/zinc/66/89/95/1317668995.db2.gz SDFZWRATCUORNV-PHASAHSISA-N 2 1 339.527 3.397 20 0 EGADMP C[C@H]1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCN1Cc1ccccc1 ZINC000903172594 1317669001 /nfs/dbraw/zinc/66/90/01/1317669001.db2.gz SDFZWRATCUORNV-PHASAHSISA-N 2 1 339.527 3.397 20 0 EGADMP C[C@H]1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCN1Cc1ccccc1 ZINC000903172594 1317669007 /nfs/dbraw/zinc/66/90/07/1317669007.db2.gz SDFZWRATCUORNV-PHASAHSISA-N 2 1 339.527 3.397 20 0 EGADMP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000903311477 1317685783 /nfs/dbraw/zinc/68/57/83/1317685783.db2.gz UTUFQXIZNQUJFW-OAQYLSRUSA-N 2 1 342.458 3.287 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000903358630 1317690218 /nfs/dbraw/zinc/69/02/18/1317690218.db2.gz LOBCAICYCGWFJM-BVOGOJNSSA-N 2 1 340.511 3.446 20 0 EGADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)C1 ZINC000903435712 1317700529 /nfs/dbraw/zinc/70/05/29/1317700529.db2.gz WRKOGFAUWLRNHD-YSVLISHTSA-N 2 1 344.434 3.183 20 0 EGADMP FC1(F)C[C@]2(CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)C1(F)F ZINC000903490879 1317706915 /nfs/dbraw/zinc/70/69/15/1317706915.db2.gz LAQWYRRTQULWRN-HNNXBMFYSA-N 2 1 328.353 3.199 20 0 EGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2COc3ccccc3[C@@H]2O)CC1 ZINC000808728807 1317724114 /nfs/dbraw/zinc/72/41/14/1317724114.db2.gz GPKPBFUQOAHSOT-ZXFPDNNPSA-N 2 1 344.499 3.114 20 0 EGADMP Clc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903727968 1317725840 /nfs/dbraw/zinc/72/58/40/1317725840.db2.gz ZZPICNGQUUYJLO-SCTDSRPQSA-N 2 1 334.891 3.116 20 0 EGADMP c1ccc(C[C@@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903728997 1317726208 /nfs/dbraw/zinc/72/62/08/1317726208.db2.gz JBABEAHVMYFHPQ-PMACEKPBSA-N 2 1 328.500 3.100 20 0 EGADMP C[N@H+](Cc1ccc(F)c(Cl)c1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903756800 1317730890 /nfs/dbraw/zinc/73/08/90/1317730890.db2.gz WBVRWUJKRQIDPP-CQSZACIVSA-N 2 1 326.843 3.070 20 0 EGADMP Fc1ccccc1C[C@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903766656 1317731222 /nfs/dbraw/zinc/73/12/22/1317731222.db2.gz BQOBDXHVMKITKX-MOPGFXCFSA-N 2 1 346.490 3.381 20 0 EGADMP C[C@@]1(Cc2cccs2)CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903789222 1317734128 /nfs/dbraw/zinc/73/41/28/1317734128.db2.gz UWFKJCSLSMMODX-WMZOPIPTSA-N 2 1 334.529 3.304 20 0 EGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@@H]2CCC[C@H](C(F)(F)F)O2)CCC1 ZINC000903811857 1317737102 /nfs/dbraw/zinc/73/71/02/1317737102.db2.gz OSTRCVWGUHLUIY-SOUVJXGZSA-N 2 1 334.426 3.470 20 0 EGADMP FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903912180 1317747622 /nfs/dbraw/zinc/74/76/22/1317747622.db2.gz ARFUMHWQPONKRR-JALIKCBVSA-N 2 1 342.409 3.069 20 0 EGADMP CC[C@@H](C[NH2+]C[C@H]([NH3+])CC(F)F)Oc1ccccc1C(F)(F)F ZINC000903920010 1317748775 /nfs/dbraw/zinc/74/87/75/1317748775.db2.gz GOBRPSFRYORVES-MNOVXSKESA-N 2 1 340.336 3.435 20 0 EGADMP Fc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c(C(F)(F)F)c1 ZINC000903955645 1317756078 /nfs/dbraw/zinc/75/60/78/1317756078.db2.gz YBKOHVXAMPHISC-SNVBAGLBSA-N 2 1 326.284 3.179 20 0 EGADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000903970097 1317758760 /nfs/dbraw/zinc/75/87/60/1317758760.db2.gz QDIVOTNEOVLSAT-ZCNNSNEGSA-N 2 1 328.500 3.245 20 0 EGADMP CSCC[C@@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000904090134 1317786628 /nfs/dbraw/zinc/78/66/28/1317786628.db2.gz UUHNGOISEBOCIP-OAHLLOKOSA-N 2 1 332.473 3.085 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)c1cccc(Cl)c1 ZINC001020586109 1317791154 /nfs/dbraw/zinc/79/11/54/1317791154.db2.gz FOXZIQOEFMWLOQ-DTTOXWODSA-N 2 1 349.906 3.122 20 0 EGADMP CC(C)(C)OC(=O)N1CCC[C@]12CC[N@@H+](Cc1ccc(C[NH3+])cc1)C2 ZINC000904373698 1317839234 /nfs/dbraw/zinc/83/92/34/1317839234.db2.gz UWRQCKFBIFFSNB-HXUWFJFHSA-N 2 1 345.487 3.121 20 0 EGADMP CC[C@H](C)C[C@H]([NH3+])c1nc(-c2cccc(Cn3ccnc3)c2)no1 ZINC000904558746 1317862347 /nfs/dbraw/zinc/86/23/47/1317862347.db2.gz VMSIEXHDUWBXRG-BBRMVZONSA-N 2 1 325.416 3.417 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000905048828 1317916419 /nfs/dbraw/zinc/91/64/19/1317916419.db2.gz FNBDXPDROOQHBG-FQEVSTJZSA-N 2 1 348.531 3.063 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)nc2)CC1 ZINC000810207834 1317975986 /nfs/dbraw/zinc/97/59/86/1317975986.db2.gz PNQMPLBHQGTXBK-GFCCVEGCSA-N 2 1 326.282 3.369 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001021096234 1318080174 /nfs/dbraw/zinc/08/01/74/1318080174.db2.gz KAROTXGKBAEPTM-JPLJXNOCSA-N 2 1 343.515 3.167 20 0 EGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000906517256 1318112335 /nfs/dbraw/zinc/11/23/35/1318112335.db2.gz KZRPIBJUHDNPEM-CTYIDZIISA-N 2 1 329.831 3.172 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001021211238 1318142525 /nfs/dbraw/zinc/14/25/25/1318142525.db2.gz RXJWIJAZOJUVDB-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001021211238 1318142530 /nfs/dbraw/zinc/14/25/30/1318142530.db2.gz RXJWIJAZOJUVDB-RAFMOHDBSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001021308310 1318181390 /nfs/dbraw/zinc/18/13/90/1318181390.db2.gz ZSNOPFCSBSWOEG-RAFMOHDBSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001021308310 1318181393 /nfs/dbraw/zinc/18/13/93/1318181393.db2.gz ZSNOPFCSBSWOEG-RAFMOHDBSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001021308310 1318181396 /nfs/dbraw/zinc/18/13/96/1318181396.db2.gz ZSNOPFCSBSWOEG-RAFMOHDBSA-N 2 1 347.547 3.019 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000960033872 1318320527 /nfs/dbraw/zinc/32/05/27/1318320527.db2.gz URAZYWCRKPVENJ-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021703934 1318576904 /nfs/dbraw/zinc/57/69/04/1318576904.db2.gz CXAGATXGOBSYAH-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(Br)nc1 ZINC000858492246 1328778058 /nfs/dbraw/zinc/77/80/58/1328778058.db2.gz VDKZAGZIKOCHSA-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(Br)nc1 ZINC000858492246 1328778062 /nfs/dbraw/zinc/77/80/62/1328778062.db2.gz VDKZAGZIKOCHSA-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Br)nc1 ZINC000858492246 1328778069 /nfs/dbraw/zinc/77/80/69/1328778069.db2.gz VDKZAGZIKOCHSA-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCCCC1 ZINC000960629041 1318755637 /nfs/dbraw/zinc/75/56/37/1318755637.db2.gz PSHJYVHPLOCANV-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCC1 ZINC000960629041 1318755644 /nfs/dbraw/zinc/75/56/44/1318755644.db2.gz PSHJYVHPLOCANV-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCC1 ZINC000960629041 1318755648 /nfs/dbraw/zinc/75/56/48/1318755648.db2.gz PSHJYVHPLOCANV-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1=CCCCC1 ZINC000960663586 1318781255 /nfs/dbraw/zinc/78/12/55/1318781255.db2.gz IBPKVONHMGXHBP-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1=CCCCC1 ZINC000960663586 1318781259 /nfs/dbraw/zinc/78/12/59/1318781259.db2.gz IBPKVONHMGXHBP-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000960663586 1318781267 /nfs/dbraw/zinc/78/12/67/1318781267.db2.gz IBPKVONHMGXHBP-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1=CCCCC1 ZINC000960663583 1318782430 /nfs/dbraw/zinc/78/24/30/1318782430.db2.gz IBPKVONHMGXHBP-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC000960663583 1318782437 /nfs/dbraw/zinc/78/24/37/1318782437.db2.gz IBPKVONHMGXHBP-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000960663583 1318782443 /nfs/dbraw/zinc/78/24/43/1318782443.db2.gz IBPKVONHMGXHBP-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001022069969 1318788188 /nfs/dbraw/zinc/78/81/88/1318788188.db2.gz PUYJDZGAIZMPFA-FFGOWVMKSA-N 2 1 343.515 3.166 20 0 EGADMP O=C(N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001022279331 1318871664 /nfs/dbraw/zinc/87/16/64/1318871664.db2.gz WHQPUYDHQBUYCI-WCIQWLHISA-N 2 1 345.531 3.131 20 0 EGADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cnn(C)c2Cl)C[N@H+]1Cc1ccccc1 ZINC000815131445 1318905543 /nfs/dbraw/zinc/90/55/43/1318905543.db2.gz DINQPRSPJGABDI-DOTOQJQBSA-N 2 1 346.906 3.464 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCCC1 ZINC000960903859 1319045669 /nfs/dbraw/zinc/04/56/69/1319045669.db2.gz DPBVGOATVJJHGJ-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1 ZINC000960903859 1319045680 /nfs/dbraw/zinc/04/56/80/1319045680.db2.gz DPBVGOATVJJHGJ-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC000960903859 1319045690 /nfs/dbraw/zinc/04/56/90/1319045690.db2.gz DPBVGOATVJJHGJ-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1)[NH+]1CCCCCC1 ZINC000960916770 1319063037 /nfs/dbraw/zinc/06/30/37/1319063037.db2.gz NZCTUKXEXLJDRD-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001022808598 1319119222 /nfs/dbraw/zinc/11/92/22/1319119222.db2.gz YBAVITJQFUMOEI-ZCNNSNEGSA-N 2 1 349.563 3.457 20 0 EGADMP C[N@@H+](C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1)CC1CCCCC1 ZINC000961027550 1319149208 /nfs/dbraw/zinc/14/92/08/1319149208.db2.gz NRCRGTBSPYHACY-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1)c1ccccc1 ZINC000961031692 1319155887 /nfs/dbraw/zinc/15/58/87/1319155887.db2.gz MERPSVXQZQRGRK-VQTJNVASSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1)c1ccccc1 ZINC000961031692 1319155890 /nfs/dbraw/zinc/15/58/90/1319155890.db2.gz MERPSVXQZQRGRK-VQTJNVASSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001023367228 1319478528 /nfs/dbraw/zinc/47/85/28/1319478528.db2.gz XOVCYKUHSOVMOJ-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001023367228 1319478534 /nfs/dbraw/zinc/47/85/34/1319478534.db2.gz XOVCYKUHSOVMOJ-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001023367228 1319478539 /nfs/dbraw/zinc/47/85/39/1319478539.db2.gz XOVCYKUHSOVMOJ-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](CC3=CCCCC3)C2)CC[N@H+]1C ZINC001023371731 1319484526 /nfs/dbraw/zinc/48/45/26/1319484526.db2.gz DHSLOQFIAOOGDZ-SLFFLAALSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CC3=CCCCC3)C2)CC[NH+]1C ZINC001023371731 1319484532 /nfs/dbraw/zinc/48/45/32/1319484532.db2.gz DHSLOQFIAOOGDZ-SLFFLAALSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CC3=CCCCC3)C2)CC[NH+]1C ZINC001023371731 1319484536 /nfs/dbraw/zinc/48/45/36/1319484536.db2.gz DHSLOQFIAOOGDZ-SLFFLAALSA-N 2 1 347.547 3.045 20 0 EGADMP O=C(NC[C@H]1CCC[N@@H+](CC2CCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001023413716 1319517305 /nfs/dbraw/zinc/51/73/05/1319517305.db2.gz IBIGQZKFHWNBLI-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[NH+](CC2CCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001023413716 1319517311 /nfs/dbraw/zinc/51/73/11/1319517311.db2.gz IBIGQZKFHWNBLI-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@H]1CCC[NH+](CC2CCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001023413716 1319517318 /nfs/dbraw/zinc/51/73/18/1319517318.db2.gz IBIGQZKFHWNBLI-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023414247 1319518045 /nfs/dbraw/zinc/51/80/45/1319518045.db2.gz ONORYYPIFLCBIH-ZWKOTPCHSA-N 2 1 346.519 3.025 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023414247 1319518053 /nfs/dbraw/zinc/51/80/53/1319518053.db2.gz ONORYYPIFLCBIH-ZWKOTPCHSA-N 2 1 346.519 3.025 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cc(=O)oc2c1 ZINC000818340401 1319530897 /nfs/dbraw/zinc/53/08/97/1319530897.db2.gz LVUPWSWQTCURLR-OAHLLOKOSA-N 2 1 326.440 3.065 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023469765 1319568263 /nfs/dbraw/zinc/56/82/63/1319568263.db2.gz NGWUUPTVGJNKTJ-KRWDZBQOSA-N 2 1 342.487 3.212 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000818967799 1319595781 /nfs/dbraw/zinc/59/57/81/1319595781.db2.gz BZHCHCGQVTYUSC-OAHLLOKOSA-N 2 1 328.243 3.212 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccc(F)cc2F)c1 ZINC000818969538 1319596892 /nfs/dbraw/zinc/59/68/92/1319596892.db2.gz GEVKDRDFXSYZCG-IBGZPJMESA-N 2 1 334.410 3.240 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000818985633 1319604686 /nfs/dbraw/zinc/60/46/86/1319604686.db2.gz UEVZHPZTDHUJNO-CXAGYDPISA-N 2 1 328.859 3.223 20 0 EGADMP O[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000818989169 1319607140 /nfs/dbraw/zinc/60/71/40/1319607140.db2.gz ZYFLWLIRDGQFAA-DNVCBOLYSA-N 2 1 348.487 3.422 20 0 EGADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000818989169 1319607146 /nfs/dbraw/zinc/60/71/46/1319607146.db2.gz ZYFLWLIRDGQFAA-DNVCBOLYSA-N 2 1 348.487 3.422 20 0 EGADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000818988125 1319608057 /nfs/dbraw/zinc/60/80/57/1319608057.db2.gz KXAGVVJWQIYGKA-BEFAXECRSA-N 2 1 348.487 3.422 20 0 EGADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000818988125 1319608067 /nfs/dbraw/zinc/60/80/67/1319608067.db2.gz KXAGVVJWQIYGKA-BEFAXECRSA-N 2 1 348.487 3.422 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001023572613 1319687982 /nfs/dbraw/zinc/68/79/82/1319687982.db2.gz IZWRNPHXQSJVFR-LJQANCHMSA-N 2 1 349.563 3.127 20 0 EGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000917009760 1319737763 /nfs/dbraw/zinc/73/77/63/1319737763.db2.gz KHRHIEUSAULNNK-NRFANRHFSA-N 2 1 342.458 3.422 20 0 EGADMP O=C(NC1CC(C[NH2+]CC2CCC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000962219575 1319865300 /nfs/dbraw/zinc/86/53/00/1319865300.db2.gz DDYLZVHGJZAWKU-QLOJAFMTSA-N 2 1 347.547 3.068 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000822455947 1320084064 /nfs/dbraw/zinc/08/40/64/1320084064.db2.gz NGBDAMNVNXKBFS-BBWFWOEESA-N 2 1 339.524 3.096 20 0 EGADMP Brc1ccc(C[C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000823591465 1320189396 /nfs/dbraw/zinc/18/93/96/1320189396.db2.gz QXGPXLSQSDWHOS-QGZVFWFLSA-N 2 1 337.305 3.456 20 0 EGADMP C[C@@H]1C[C@H](NCc2cc(C3CC3)nn2C)CC[N@H+]1Cc1ccccc1 ZINC000823966682 1320218953 /nfs/dbraw/zinc/21/89/53/1320218953.db2.gz ZOUPRWKTIQBTSM-VQIMIIECSA-N 2 1 338.499 3.440 20 0 EGADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(C[NH+]2CCCCC2)o1 ZINC000824366000 1320251156 /nfs/dbraw/zinc/25/11/56/1320251156.db2.gz GIGWUILISPWYTQ-MSOLQXFVSA-N 2 1 345.487 3.012 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000839092705 1320868644 /nfs/dbraw/zinc/86/86/44/1320868644.db2.gz VCPSTMYQAQWLLS-IRXDYDNUSA-N 2 1 341.540 3.201 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000839092705 1320868654 /nfs/dbraw/zinc/86/86/54/1320868654.db2.gz VCPSTMYQAQWLLS-IRXDYDNUSA-N 2 1 341.540 3.201 20 0 EGADMP CN(C)c1ccc(N2CCC([NH2+][C@H](C[NH3+])C3CCCCC3)CC2)cc1 ZINC000841039542 1321206741 /nfs/dbraw/zinc/20/67/41/1321206741.db2.gz SYSGJEPJOMMCRK-OAQYLSRUSA-N 2 1 344.547 3.219 20 0 EGADMP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+][C@@H](C)CC[NH3+] ZINC000841049403 1321209204 /nfs/dbraw/zinc/20/92/04/1321209204.db2.gz DNRNKGHEOQBALL-JTQLQIEISA-N 2 1 327.259 3.314 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CCCCC3)C2=O)cc1 ZINC000859213374 1328947990 /nfs/dbraw/zinc/94/79/90/1328947990.db2.gz MYNGBFZZVGQCNP-HXUWFJFHSA-N 2 1 343.515 3.114 20 0 EGADMP CC(C)[N@@H+](CCCCCCC[NH3+])Cc1nc2ccccc2c(=O)[nH]1 ZINC000842471462 1321392556 /nfs/dbraw/zinc/39/25/56/1321392556.db2.gz CLXQPBSHBWLEIF-UHFFFAOYSA-N 2 1 330.476 3.455 20 0 EGADMP O[C@H](C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1)c1cccs1 ZINC000842472780 1321393281 /nfs/dbraw/zinc/39/32/81/1321393281.db2.gz KJDISXYCGKBYDV-FUHWJXTLSA-N 2 1 330.497 3.283 20 0 EGADMP CC(C)C[C@@H](NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000843353670 1321505428 /nfs/dbraw/zinc/50/54/28/1321505428.db2.gz IKWYIEXRTKJVAN-CTWPCTMYSA-N 2 1 331.504 3.092 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)CC12CCCC2 ZINC000844691824 1321636967 /nfs/dbraw/zinc/63/69/67/1321636967.db2.gz NPPABKOHPKSHGH-UHFFFAOYSA-N 2 1 329.488 3.073 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)CC12CCCC2 ZINC000844691824 1321636975 /nfs/dbraw/zinc/63/69/75/1321636975.db2.gz NPPABKOHPKSHGH-UHFFFAOYSA-N 2 1 329.488 3.073 20 0 EGADMP C[C@@H](CC(=O)OC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)n1ccnc1 ZINC000845475945 1321710655 /nfs/dbraw/zinc/71/06/55/1321710655.db2.gz DIQJWGXVQADWGU-FXAWDEMLSA-N 2 1 341.455 3.432 20 0 EGADMP Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CCCCCC[NH3+])C2)cc1 ZINC000846218621 1321777716 /nfs/dbraw/zinc/77/77/16/1321777716.db2.gz UBYKEGZDSIGWQZ-GOSISDBHSA-N 2 1 346.519 3.348 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(Br)CC1 ZINC000846856735 1321817072 /nfs/dbraw/zinc/81/70/72/1321817072.db2.gz GLAOHKLMKIWYJW-GDBMZVCRSA-N 2 1 337.305 3.414 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(Br)CC1 ZINC000846856737 1321817226 /nfs/dbraw/zinc/81/72/26/1321817226.db2.gz GLAOHKLMKIWYJW-HOCLYGCPSA-N 2 1 337.305 3.414 20 0 EGADMP C[C@]1(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1(Cl)Cl ZINC000848553634 1321975000 /nfs/dbraw/zinc/97/50/00/1321975000.db2.gz MFYGTOCSMTVMBM-CABCVRRESA-N 2 1 335.319 3.193 20 0 EGADMP CC[C@H](C)c1ccc(NC(=[NH2+])NCCC[N@H+](C)CCN(C)C)cc1 ZINC000849081918 1322070949 /nfs/dbraw/zinc/07/09/49/1322070949.db2.gz QBSRCRLGOAMPQM-INIZCTEOSA-N 2 1 333.524 3.020 20 0 EGADMP CC[C@H](C)c1ccc(NC(=[NH2+])NCCC[N@@H+](C)CCN(C)C)cc1 ZINC000849081918 1322070954 /nfs/dbraw/zinc/07/09/54/1322070954.db2.gz QBSRCRLGOAMPQM-INIZCTEOSA-N 2 1 333.524 3.020 20 0 EGADMP [NH2+]=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000849089560 1322073904 /nfs/dbraw/zinc/07/39/04/1322073904.db2.gz HGTWNAXXXFPDEM-IBGZPJMESA-N 2 1 328.504 3.299 20 0 EGADMP Cc1ccc(CNC(=[NH2+])NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000849096069 1322076154 /nfs/dbraw/zinc/07/61/54/1322076154.db2.gz YSUWFQSUCKGNMQ-FQEVSTJZSA-N 2 1 336.483 3.131 20 0 EGADMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000849105204 1322080618 /nfs/dbraw/zinc/08/06/18/1322080618.db2.gz FIYFKWXODCEXIT-KRWDZBQOSA-N 2 1 330.476 3.427 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000849110814 1322081798 /nfs/dbraw/zinc/08/17/98/1322081798.db2.gz BIFHWYSLXPACFU-OAHLLOKOSA-N 2 1 342.409 3.318 20 0 EGADMP C[N@@H+](CCCCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)C1CC1 ZINC000849116499 1322084610 /nfs/dbraw/zinc/08/46/10/1322084610.db2.gz REGQDXQMEGQOEO-UHFFFAOYSA-N 2 1 342.409 3.194 20 0 EGADMP Cc1[nH+]cc(CNc2ccc(OCC[NH+]3CCCC3)c(C)c2)n1C ZINC000850146011 1322198610 /nfs/dbraw/zinc/19/86/10/1322198610.db2.gz RCUHYWFXXASFLF-UHFFFAOYSA-N 2 1 328.460 3.124 20 0 EGADMP Cn1cc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)c2ccccc21 ZINC000850379803 1322235385 /nfs/dbraw/zinc/23/53/85/1322235385.db2.gz GMPVOUAHKAVHOL-UHFFFAOYSA-N 2 1 328.485 3.029 20 0 EGADMP Cc1ccc2cc(C[NH2+][C@@H]3C[C@@]4(C[N@H+](C)[C@@H]4C(C)C)C[C@H]3O)[nH]c2c1 ZINC000922390978 1322517070 /nfs/dbraw/zinc/51/70/70/1322517070.db2.gz QBUFWOIDYDQOLR-NCYKPQTJSA-N 2 1 341.499 3.046 20 0 EGADMP CCCC[N@@H+](Cc1ccn(C)c(=O)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034024 1329033589 /nfs/dbraw/zinc/03/35/89/1329033589.db2.gz WLDIPCSZFMLGBZ-UHFFFAOYSA-N 2 1 333.520 3.297 20 0 EGADMP [NH3+]C[C@H]([NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)C1CCCCC1 ZINC000923375187 1322741987 /nfs/dbraw/zinc/74/19/87/1322741987.db2.gz ZCFRXIXKCNDIJI-SFTDATJTSA-N 2 1 326.484 3.240 20 0 EGADMP CC[NH+](CC)CCOc1ccc(-c2noc([C@@H](C)[NH+](C)C)n2)cc1 ZINC000923797950 1322811775 /nfs/dbraw/zinc/81/17/75/1322811775.db2.gz BRFKDZJEBCEJGF-CQSZACIVSA-N 2 1 332.448 3.080 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024009980 1323078217 /nfs/dbraw/zinc/07/82/17/1323078217.db2.gz COPRXGFVPOTJBL-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000851807261 1323095568 /nfs/dbraw/zinc/09/55/68/1323095568.db2.gz DUHBOXFSCKHEFQ-HKBOAZHASA-N 2 1 348.531 3.056 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000851807261 1323095579 /nfs/dbraw/zinc/09/55/79/1323095579.db2.gz DUHBOXFSCKHEFQ-HKBOAZHASA-N 2 1 348.531 3.056 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000851807261 1323095589 /nfs/dbraw/zinc/09/55/89/1323095589.db2.gz DUHBOXFSCKHEFQ-HKBOAZHASA-N 2 1 348.531 3.056 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC000962810227 1323106982 /nfs/dbraw/zinc/10/69/82/1323106982.db2.gz VTXJGHDKGCMNJV-SOAGJPPSSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000924684138 1323110990 /nfs/dbraw/zinc/11/09/90/1323110990.db2.gz BYDRTPTXXSUCLI-ZWKOTPCHSA-N 2 1 341.503 3.430 20 0 EGADMP C[N@H+]1CCC[C@@H]1CNC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000924791898 1323164697 /nfs/dbraw/zinc/16/46/97/1323164697.db2.gz RXCWPCMPFTVOFC-OTYNDTSQSA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+]1CCC[C@@H]1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924791898 1323164701 /nfs/dbraw/zinc/16/47/01/1323164701.db2.gz RXCWPCMPFTVOFC-OTYNDTSQSA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+]1CCC[C@@H]1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924791898 1323164704 /nfs/dbraw/zinc/16/47/04/1323164704.db2.gz RXCWPCMPFTVOFC-OTYNDTSQSA-N 2 1 327.516 3.256 20 0 EGADMP CN1CCC[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924791898 1323164708 /nfs/dbraw/zinc/16/47/08/1323164708.db2.gz RXCWPCMPFTVOFC-OTYNDTSQSA-N 2 1 327.516 3.256 20 0 EGADMP CN1CCC[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924791898 1323164713 /nfs/dbraw/zinc/16/47/13/1323164713.db2.gz RXCWPCMPFTVOFC-OTYNDTSQSA-N 2 1 327.516 3.256 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000924948351 1323225077 /nfs/dbraw/zinc/22/50/77/1323225077.db2.gz CCDMZMQSUXOSCG-UWVAXJGDSA-N 2 1 326.488 3.080 20 0 EGADMP CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ncccc1Cl ZINC000925023705 1323248426 /nfs/dbraw/zinc/24/84/26/1323248426.db2.gz PGLIVTRVLOYBQQ-RDJZCZTQSA-N 2 1 339.911 3.403 20 0 EGADMP C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)c2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000853104795 1323283542 /nfs/dbraw/zinc/28/35/42/1323283542.db2.gz XNLBHWBGXJZQKP-QFUCXCTJSA-N 2 1 339.483 3.005 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024436435 1323396160 /nfs/dbraw/zinc/39/61/60/1323396160.db2.gz DCEYSOYWWKEORF-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001024436435 1323396165 /nfs/dbraw/zinc/39/61/65/1323396165.db2.gz DCEYSOYWWKEORF-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001024436435 1323396172 /nfs/dbraw/zinc/39/61/72/1323396172.db2.gz DCEYSOYWWKEORF-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCCC2CCCC2)CC[N@H+]1C ZINC001024447397 1323405641 /nfs/dbraw/zinc/40/56/41/1323405641.db2.gz VVDFFXYWQPFKNQ-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC2CCCC2)CC[NH+]1C ZINC001024447397 1323405647 /nfs/dbraw/zinc/40/56/47/1323405647.db2.gz VVDFFXYWQPFKNQ-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCCC2CCCC2)CC[NH+]1C ZINC001024447397 1323405650 /nfs/dbraw/zinc/40/56/50/1323405650.db2.gz VVDFFXYWQPFKNQ-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC2=CCCCC2)CC[N@H+]1C ZINC001024448716 1323407971 /nfs/dbraw/zinc/40/79/71/1323407971.db2.gz WKSBOPRQVJRZNQ-HSALFYBXSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC2=CCCCC2)CC[NH+]1C ZINC001024448716 1323407975 /nfs/dbraw/zinc/40/79/75/1323407975.db2.gz WKSBOPRQVJRZNQ-HSALFYBXSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CC2=CCCCC2)CC[NH+]1C ZINC001024448716 1323407979 /nfs/dbraw/zinc/40/79/79/1323407979.db2.gz WKSBOPRQVJRZNQ-HSALFYBXSA-N 2 1 347.547 3.188 20 0 EGADMP CCC(CC)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479675 1323433490 /nfs/dbraw/zinc/43/34/90/1323433490.db2.gz MWCSHDNFVPCJCT-ROUUACIJSA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479675 1323433495 /nfs/dbraw/zinc/43/34/95/1323433495.db2.gz MWCSHDNFVPCJCT-ROUUACIJSA-N 2 1 346.519 3.167 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024514125 1323463474 /nfs/dbraw/zinc/46/34/74/1323463474.db2.gz VXALTXUFGUHNNB-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC001024514125 1323463479 /nfs/dbraw/zinc/46/34/79/1323463479.db2.gz VXALTXUFGUHNNB-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCC1CCC1 ZINC001024514125 1323463483 /nfs/dbraw/zinc/46/34/83/1323463483.db2.gz VXALTXUFGUHNNB-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024524454 1323471578 /nfs/dbraw/zinc/47/15/78/1323471578.db2.gz VUYXORBYFZLWML-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001024524454 1323471586 /nfs/dbraw/zinc/47/15/86/1323471586.db2.gz VUYXORBYFZLWML-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001024524454 1323471590 /nfs/dbraw/zinc/47/15/90/1323471590.db2.gz VUYXORBYFZLWML-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC2CCCC2)C1 ZINC001024613871 1323543017 /nfs/dbraw/zinc/54/30/17/1323543017.db2.gz CXTSZRVBNXVIKL-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC2CCCC2)C1 ZINC001024613871 1323543022 /nfs/dbraw/zinc/54/30/22/1323543022.db2.gz CXTSZRVBNXVIKL-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CC2CCCC2)C1 ZINC001024613871 1323543028 /nfs/dbraw/zinc/54/30/28/1323543028.db2.gz CXTSZRVBNXVIKL-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCC(C)(C)C)CC[N@H+]1C ZINC001024619678 1323547148 /nfs/dbraw/zinc/54/71/48/1323547148.db2.gz ADADUIPAHPSVMU-BZSNNMDCSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCC(C)(C)C)CC[NH+]1C ZINC001024619678 1323547151 /nfs/dbraw/zinc/54/71/51/1323547151.db2.gz ADADUIPAHPSVMU-BZSNNMDCSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCC(C)(C)C)CC[NH+]1C ZINC001024619678 1323547154 /nfs/dbraw/zinc/54/71/54/1323547154.db2.gz ADADUIPAHPSVMU-BZSNNMDCSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CC2CCCC2)CC1 ZINC001024738192 1323638057 /nfs/dbraw/zinc/63/80/57/1323638057.db2.gz QVLZHWLUUQMERY-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCC1 ZINC001024812627 1323714951 /nfs/dbraw/zinc/71/49/51/1323714951.db2.gz QGFFWXFCYMZDOG-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC001024812627 1323714958 /nfs/dbraw/zinc/71/49/58/1323714958.db2.gz QGFFWXFCYMZDOG-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCC1CCC1 ZINC001024812627 1323714961 /nfs/dbraw/zinc/71/49/61/1323714961.db2.gz QGFFWXFCYMZDOG-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001024902303 1323772092 /nfs/dbraw/zinc/77/20/92/1323772092.db2.gz NJQKFQDVBGIADS-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](c1nc2ccccc2n1C(F)F)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931440460 1329117856 /nfs/dbraw/zinc/11/78/56/1329117856.db2.gz HZPAGRIPHXLDOV-HZSPNIEDSA-N 2 1 334.414 3.376 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(Cc3cc(-c4ccccc4Cl)on3)C[C@@H]2C1 ZINC000931441957 1329117992 /nfs/dbraw/zinc/11/79/92/1329117992.db2.gz RZQAVSYGPRGFCQ-KGLIPLIRSA-N 2 1 331.847 3.379 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(-c4ccccc4Cl)on3)C[C@@H]2C1 ZINC000931441957 1329117997 /nfs/dbraw/zinc/11/79/97/1329117997.db2.gz RZQAVSYGPRGFCQ-KGLIPLIRSA-N 2 1 331.847 3.379 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(-c4ccccc4Cl)on3)C[C@@H]2C1 ZINC000931441957 1329117999 /nfs/dbraw/zinc/11/79/99/1329117999.db2.gz RZQAVSYGPRGFCQ-KGLIPLIRSA-N 2 1 331.847 3.379 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4Cl)on3)C[C@@H]2C1 ZINC000931441957 1329118003 /nfs/dbraw/zinc/11/80/03/1329118003.db2.gz RZQAVSYGPRGFCQ-KGLIPLIRSA-N 2 1 331.847 3.379 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4Cl)on3)C[C@@H]2C1 ZINC000931441957 1329118005 /nfs/dbraw/zinc/11/80/05/1329118005.db2.gz RZQAVSYGPRGFCQ-KGLIPLIRSA-N 2 1 331.847 3.379 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001025084572 1323886001 /nfs/dbraw/zinc/88/60/01/1323886001.db2.gz DJAMMRSQWWNUHY-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)C1 ZINC001025103683 1323896876 /nfs/dbraw/zinc/89/68/76/1323896876.db2.gz YYFKSRXAZRDLER-DAWZGUTISA-N 2 1 346.519 3.023 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001025108978 1323899822 /nfs/dbraw/zinc/89/98/22/1323899822.db2.gz HNPDJVJTIMCPCI-QFBILLFUSA-N 2 1 346.519 3.139 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001025135680 1323913618 /nfs/dbraw/zinc/91/36/18/1323913618.db2.gz HUXZKFWRVXBBHJ-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025239863 1324032365 /nfs/dbraw/zinc/03/23/65/1324032365.db2.gz JQEQHJBEIAXMEO-RTBURBONSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025239863 1324032371 /nfs/dbraw/zinc/03/23/71/1324032371.db2.gz JQEQHJBEIAXMEO-RTBURBONSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025239863 1324032374 /nfs/dbraw/zinc/03/23/74/1324032374.db2.gz JQEQHJBEIAXMEO-RTBURBONSA-N 2 1 335.536 3.116 20 0 EGADMP C[N@@H+](CC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+]1CC1CCC1)C1CCC1 ZINC001025241383 1324036859 /nfs/dbraw/zinc/03/68/59/1324036859.db2.gz WWWAKUBFQFCPLI-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CC1CCC1)C1CCC1 ZINC001025241383 1324036863 /nfs/dbraw/zinc/03/68/63/1324036863.db2.gz WWWAKUBFQFCPLI-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+]1CC1CCC1)C1CCC1 ZINC001025241383 1324036868 /nfs/dbraw/zinc/03/68/68/1324036868.db2.gz WWWAKUBFQFCPLI-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470403 1324314835 /nfs/dbraw/zinc/31/48/35/1324314835.db2.gz XCLPCIDQUNDPSF-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001025521658 1324364969 /nfs/dbraw/zinc/36/49/69/1324364969.db2.gz DWXWUQGKOGYFFQ-FXAWDEMLSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001025521664 1324365778 /nfs/dbraw/zinc/36/57/78/1324365778.db2.gz DWXWUQGKOGYFFQ-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025629064 1324480147 /nfs/dbraw/zinc/48/01/47/1324480147.db2.gz ZPSMSEBBOIMJBP-FXAWDEMLSA-N 2 1 345.531 3.379 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CC2)CC1 ZINC001026590815 1324917160 /nfs/dbraw/zinc/91/71/60/1324917160.db2.gz IIGNZCRZZXVUHC-CTWPCTMYSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@H](CC[S@@](C)=O)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925517312 1325186964 /nfs/dbraw/zinc/18/69/64/1325186964.db2.gz ADAPXHDATMXPTE-AVZKCLTESA-N 2 1 348.556 3.319 20 0 EGADMP C[C@H](CC[S@@](C)=O)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925517312 1325186970 /nfs/dbraw/zinc/18/69/70/1325186970.db2.gz ADAPXHDATMXPTE-AVZKCLTESA-N 2 1 348.556 3.319 20 0 EGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccnc2Oc2cccc(F)c2)C12CCC2 ZINC000925547395 1325202791 /nfs/dbraw/zinc/20/27/91/1325202791.db2.gz UPMWBBXAODIOCG-DLBZAZTESA-N 2 1 327.403 3.373 20 0 EGADMP Cc1nccn1-c1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1F ZINC000925567855 1325214265 /nfs/dbraw/zinc/21/42/65/1325214265.db2.gz LTYBFGPLCAUCEV-AYOQOUSVSA-N 2 1 342.462 3.186 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnnn2-c2ccccc2)C1 ZINC000925589653 1325223658 /nfs/dbraw/zinc/22/36/58/1325223658.db2.gz ZXMZVZVFDDBSDP-ZWKOTPCHSA-N 2 1 341.503 3.286 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnnn2-c2ccccc2)C1 ZINC000925589653 1325223663 /nfs/dbraw/zinc/22/36/63/1325223663.db2.gz ZXMZVZVFDDBSDP-ZWKOTPCHSA-N 2 1 341.503 3.286 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CCC([NH2+]CC2CC2)CC1 ZINC000963419071 1325227198 /nfs/dbraw/zinc/22/71/98/1325227198.db2.gz CAFXZNQTTAVGQH-QLOJAFMTSA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001027104210 1325228930 /nfs/dbraw/zinc/22/89/30/1325228930.db2.gz NCUJAHFUQNZROU-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CCON1CCC([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000925613167 1325231745 /nfs/dbraw/zinc/23/17/45/1325231745.db2.gz AQPHQGZAHLUGHI-QUCCMNQESA-N 2 1 345.531 3.293 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](Cn1ccnc1)c1ccccc1 ZINC000925769175 1325292265 /nfs/dbraw/zinc/29/22/65/1325292265.db2.gz BHTBJCNXCPZGLR-OXJNMPFZSA-N 3 1 335.455 3.137 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c(-c4ccccc4)nc4ccccn43)C[C@@H]2C1 ZINC000855091749 1325341803 /nfs/dbraw/zinc/34/18/03/1325341803.db2.gz CMDWQLWKOXJMGD-MOPGFXCFSA-N 2 1 346.478 3.385 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c(-c4ccccc4)nc4ccccn43)C[C@@H]2C1 ZINC000855091749 1325341812 /nfs/dbraw/zinc/34/18/12/1325341812.db2.gz CMDWQLWKOXJMGD-MOPGFXCFSA-N 2 1 346.478 3.385 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)C[C@@H]2C1 ZINC000855091749 1325341820 /nfs/dbraw/zinc/34/18/20/1325341820.db2.gz CMDWQLWKOXJMGD-MOPGFXCFSA-N 2 1 346.478 3.385 20 0 EGADMP Cc1cccc2c1[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CC2 ZINC000926125072 1325439278 /nfs/dbraw/zinc/43/92/78/1325439278.db2.gz JYLPASXEVJGJRZ-NHCUHLMSSA-N 2 1 336.479 3.339 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)CC[N@H+]1C ZINC000857136036 1325577806 /nfs/dbraw/zinc/57/78/06/1325577806.db2.gz ZLTYBUHBZSYORS-NSISKUIASA-N 2 1 343.515 3.051 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CC[NH+]1C ZINC000857136036 1325577811 /nfs/dbraw/zinc/57/78/11/1325577811.db2.gz ZLTYBUHBZSYORS-NSISKUIASA-N 2 1 343.515 3.051 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CC[NH+]1C ZINC000857136036 1325577816 /nfs/dbraw/zinc/57/78/16/1325577816.db2.gz ZLTYBUHBZSYORS-NSISKUIASA-N 2 1 343.515 3.051 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)CC3CCCCCC3)C2)CC[N@H+]1C ZINC001027416995 1327644396 /nfs/dbraw/zinc/64/43/96/1327644396.db2.gz RAPFALJLCZHHEL-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@H+](C)CC3CCCCCC3)C2)CC[NH+]1C ZINC001027416995 1327644404 /nfs/dbraw/zinc/64/44/04/1327644404.db2.gz RAPFALJLCZHHEL-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)CC3CCCCCC3)C2)CC[NH+]1C ZINC001027416995 1327644412 /nfs/dbraw/zinc/64/44/12/1327644412.db2.gz RAPFALJLCZHHEL-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCc3ccccc3NC2=O)CC1 ZINC000926664396 1327657552 /nfs/dbraw/zinc/65/75/52/1327657552.db2.gz VPMFPTFHWHRRMK-IBGZPJMESA-N 2 1 329.488 3.040 20 0 EGADMP CC1CCC(C[N@@H+](C)[C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001027439100 1327679834 /nfs/dbraw/zinc/67/98/34/1327679834.db2.gz FZVMYFMXVHOAOA-CTWPCTMYSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001027441687 1327681896 /nfs/dbraw/zinc/68/18/96/1327681896.db2.gz JJDADLLKUIUUNG-FQEVSTJZSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]([N@H+](C)CCC2=CCCCC2)C1)C1CCC1 ZINC001027441687 1327681906 /nfs/dbraw/zinc/68/19/06/1327681906.db2.gz JJDADLLKUIUUNG-FQEVSTJZSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]([N@@H+](C)CCC2=CCCCC2)C1)C1CCC1 ZINC001027441687 1327681914 /nfs/dbraw/zinc/68/19/14/1327681914.db2.gz JJDADLLKUIUUNG-FQEVSTJZSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001027441688 1327683072 /nfs/dbraw/zinc/68/30/72/1327683072.db2.gz JJDADLLKUIUUNG-HXUWFJFHSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]([N@H+](C)CCC2=CCCCC2)C1)C1CCC1 ZINC001027441688 1327683078 /nfs/dbraw/zinc/68/30/78/1327683078.db2.gz JJDADLLKUIUUNG-HXUWFJFHSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1)C1CCC1 ZINC001027441688 1327683086 /nfs/dbraw/zinc/68/30/86/1327683086.db2.gz JJDADLLKUIUUNG-HXUWFJFHSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(Br)n1 ZINC000926752092 1327700680 /nfs/dbraw/zinc/70/06/80/1327700680.db2.gz CYDQOXVDLZHBAV-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(Br)n1 ZINC000926752092 1327700684 /nfs/dbraw/zinc/70/06/84/1327700684.db2.gz CYDQOXVDLZHBAV-STQMWFEESA-N 2 1 326.282 3.227 20 0 EGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cc[nH]c(=O)c1 ZINC000926776443 1327711604 /nfs/dbraw/zinc/71/16/04/1327711604.db2.gz AQQXOOLRDXEIBL-GJYPPUQNSA-N 2 1 325.456 3.206 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH+](C)CC2CCCCCC2)C1 ZINC001027575554 1327910072 /nfs/dbraw/zinc/91/00/72/1327910072.db2.gz BEEFMINTSITEDK-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCCC2)C1 ZINC001027575554 1327910082 /nfs/dbraw/zinc/91/00/82/1327910082.db2.gz BEEFMINTSITEDK-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC001027575554 1327910089 /nfs/dbraw/zinc/91/00/89/1327910089.db2.gz BEEFMINTSITEDK-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C)cc2C)C1)[NH+](C)C ZINC001027578675 1327913361 /nfs/dbraw/zinc/91/33/61/1327913361.db2.gz QOPITVZLDGGTAP-PMACEKPBSA-N 2 1 345.531 3.066 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH+](C)CC3CCCCCC3)C2)C1 ZINC001027576536 1327915331 /nfs/dbraw/zinc/91/53/31/1327915331.db2.gz QNPWRAACKYJLNX-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H]([N@H+](C)CC3CCCCCC3)C2)C1 ZINC001027576536 1327915337 /nfs/dbraw/zinc/91/53/37/1327915337.db2.gz QNPWRAACKYJLNX-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H]([N@@H+](C)CC3CCCCCC3)C2)C1 ZINC001027576536 1327915342 /nfs/dbraw/zinc/91/53/42/1327915342.db2.gz QNPWRAACKYJLNX-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680652 1328078569 /nfs/dbraw/zinc/07/85/69/1328078569.db2.gz IKNLGPOINRVPKI-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027680652 1328078578 /nfs/dbraw/zinc/07/85/78/1328078578.db2.gz IKNLGPOINRVPKI-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027680652 1328078586 /nfs/dbraw/zinc/07/85/86/1328078586.db2.gz IKNLGPOINRVPKI-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1)[NH+]1CCCCC1 ZINC001027694551 1328100913 /nfs/dbraw/zinc/10/09/13/1328100913.db2.gz CHHGNGHYCGTNDR-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1)c1ccccc1 ZINC001027696155 1328103869 /nfs/dbraw/zinc/10/38/69/1328103869.db2.gz LWYBLRJNAUXMRI-PMACEKPBSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1)c1ccccc1 ZINC001027696155 1328103875 /nfs/dbraw/zinc/10/38/75/1328103875.db2.gz LWYBLRJNAUXMRI-PMACEKPBSA-N 2 1 343.515 3.012 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCCC1 ZINC001027795575 1328232250 /nfs/dbraw/zinc/23/22/50/1328232250.db2.gz XPTAWFKDTMVMNU-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCCCC1 ZINC001027795575 1328232260 /nfs/dbraw/zinc/23/22/60/1328232260.db2.gz XPTAWFKDTMVMNU-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCCCC1 ZINC001027795575 1328232267 /nfs/dbraw/zinc/23/22/67/1328232267.db2.gz XPTAWFKDTMVMNU-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966489368 1328319811 /nfs/dbraw/zinc/31/98/11/1328319811.db2.gz JSVCNDDBRQPOKM-NVXWUHKLSA-N 2 1 349.544 3.216 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966489368 1328319819 /nfs/dbraw/zinc/31/98/19/1328319819.db2.gz JSVCNDDBRQPOKM-NVXWUHKLSA-N 2 1 349.544 3.216 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001027878736 1328343915 /nfs/dbraw/zinc/34/39/15/1328343915.db2.gz HRDDYNLSXGVXFL-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001027878736 1328343925 /nfs/dbraw/zinc/34/39/25/1328343925.db2.gz HRDDYNLSXGVXFL-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCC1 ZINC001027878736 1328343932 /nfs/dbraw/zinc/34/39/32/1328343932.db2.gz HRDDYNLSXGVXFL-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CCC1CC1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885415 1328351508 /nfs/dbraw/zinc/35/15/08/1328351508.db2.gz DYANVOVDUKDYKI-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CCC1CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885415 1328351514 /nfs/dbraw/zinc/35/15/14/1328351514.db2.gz DYANVOVDUKDYKI-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CCC1CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885415 1328351521 /nfs/dbraw/zinc/35/15/21/1328351521.db2.gz DYANVOVDUKDYKI-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCCC1 ZINC001027919389 1328396828 /nfs/dbraw/zinc/39/68/28/1328396828.db2.gz VPCYPTRGWAVNDO-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC001027919389 1328396839 /nfs/dbraw/zinc/39/68/39/1328396839.db2.gz VPCYPTRGWAVNDO-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCCC1 ZINC001027919389 1328396846 /nfs/dbraw/zinc/39/68/46/1328396846.db2.gz VPCYPTRGWAVNDO-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001027986312 1328458135 /nfs/dbraw/zinc/45/81/35/1328458135.db2.gz URMYUPRPIUFIAZ-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001027986312 1328458139 /nfs/dbraw/zinc/45/81/39/1328458139.db2.gz URMYUPRPIUFIAZ-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCC1 ZINC001027986312 1328458148 /nfs/dbraw/zinc/45/81/48/1328458148.db2.gz URMYUPRPIUFIAZ-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2cccnc2Br)c1 ZINC000865407955 1329692733 /nfs/dbraw/zinc/69/27/33/1329692733.db2.gz LCVLTIBZMUXTFF-UHFFFAOYSA-N 2 1 334.261 3.196 20 0 EGADMP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1)CC1CC1 ZINC000935215940 1330035824 /nfs/dbraw/zinc/03/58/24/1330035824.db2.gz NOGSCMJYQINUGU-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1)CC1CC1 ZINC000935215940 1330035825 /nfs/dbraw/zinc/03/58/25/1330035825.db2.gz NOGSCMJYQINUGU-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1)CC1CC1 ZINC000935215940 1330035827 /nfs/dbraw/zinc/03/58/27/1330035827.db2.gz NOGSCMJYQINUGU-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000866413410 1330108834 /nfs/dbraw/zinc/10/88/34/1330108834.db2.gz QXAFUTAGILCCTP-MISYRCLQSA-N 2 1 328.500 3.303 20 0 EGADMP CCN1CCC([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000866468652 1330116090 /nfs/dbraw/zinc/11/60/90/1330116090.db2.gz HGCVPIASYUTFPS-UHFFFAOYSA-N 2 1 329.532 3.363 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940747377 1331177958 /nfs/dbraw/zinc/17/79/58/1331177958.db2.gz IVCQFCDVVVXUJF-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941237092 1331401673 /nfs/dbraw/zinc/40/16/73/1331401673.db2.gz HLORQFOROXPGOD-LJQANCHMSA-N 2 1 345.531 3.235 20 0 EGADMP C[C@H]1C[N@@H+](CCC2CC2)CC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942101716 1331830063 /nfs/dbraw/zinc/83/00/63/1331830063.db2.gz SPVSKFBGGWRSFQ-WMLDXEAASA-N 2 1 349.544 3.050 20 0 EGADMP C[C@H]1C[N@@H+](CC2CCCCC2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942258548 1331889692 /nfs/dbraw/zinc/88/96/92/1331889692.db2.gz PULGTHJNZAMLAP-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC000942581349 1331988097 /nfs/dbraw/zinc/98/80/97/1331988097.db2.gz FNLKKLLRGLVSAC-DOTOQJQBSA-N 2 1 349.519 3.218 20 0 EGADMP C[C@H]1C[N@@H+](CCC2CCCCC2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596787 1331995567 /nfs/dbraw/zinc/99/55/67/1331995567.db2.gz GFDYNXIEXYFIHA-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCCC3CCC3)C[C@@H]2C)CC1 ZINC000943757058 1332255358 /nfs/dbraw/zinc/25/53/58/1332255358.db2.gz ZYFSOTHFUXJFNH-ICSRJNTNSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946623891 1332865172 /nfs/dbraw/zinc/86/51/72/1332865172.db2.gz SDWZJTWEPUOLON-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623891 1332865176 /nfs/dbraw/zinc/86/51/76/1332865176.db2.gz SDWZJTWEPUOLON-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623891 1332865178 /nfs/dbraw/zinc/86/51/78/1332865178.db2.gz SDWZJTWEPUOLON-HSALFYBXSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631413 1332866469 /nfs/dbraw/zinc/86/64/69/1332866469.db2.gz GDMSKDLNVKEZCC-ZRNYENFQSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946631413 1332866472 /nfs/dbraw/zinc/86/64/72/1332866472.db2.gz GDMSKDLNVKEZCC-ZRNYENFQSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946631413 1332866474 /nfs/dbraw/zinc/86/64/74/1332866474.db2.gz GDMSKDLNVKEZCC-ZRNYENFQSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CC[N@H+](CCC(C)C)[C@@H](C)C2)ccc2c[nH+]cn21 ZINC000947474561 1333142463 /nfs/dbraw/zinc/14/24/63/1333142463.db2.gz VWOAYEUZLKWJTN-DOTOQJQBSA-N 2 1 342.487 3.272 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947493392 1333145850 /nfs/dbraw/zinc/14/58/50/1333145850.db2.gz RRLXWGCAAOLEEP-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947552023 1333169048 /nfs/dbraw/zinc/16/90/48/1333169048.db2.gz QRSVTUIXXSSQEX-MAUKXSAKSA-N 2 1 342.487 3.353 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CCC(C)(C)C ZINC000947615725 1333194080 /nfs/dbraw/zinc/19/40/80/1333194080.db2.gz KPBSAJOVWJULNH-IAGOWNOFSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCC1=CCCCC1 ZINC000947685294 1333223072 /nfs/dbraw/zinc/22/30/72/1333223072.db2.gz MJPOMWGFRAJPKM-YLJYHZDGSA-N 2 1 347.547 3.188 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947770866 1333255985 /nfs/dbraw/zinc/25/59/85/1333255985.db2.gz CNQQONHTPHEABY-SJLPKXTDSA-N 2 1 348.535 3.412 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947770866 1333255986 /nfs/dbraw/zinc/25/59/86/1333255986.db2.gz CNQQONHTPHEABY-SJLPKXTDSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)[C@@H](C)C1 ZINC000947771306 1333256418 /nfs/dbraw/zinc/25/64/18/1333256418.db2.gz JMTKDHYXIGRZIM-IRXDYDNUSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H](C)C1 ZINC000947771306 1333256419 /nfs/dbraw/zinc/25/64/19/1333256419.db2.gz JMTKDHYXIGRZIM-IRXDYDNUSA-N 2 1 348.535 3.412 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CC1CCCCC1 ZINC000947775573 1333257897 /nfs/dbraw/zinc/25/78/97/1333257897.db2.gz PFJGMIUGZBCYRT-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947799572 1333264921 /nfs/dbraw/zinc/26/49/21/1333264921.db2.gz BMNCWIRARFHZAL-YLJYHZDGSA-N 2 1 345.531 3.377 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)[C@H](C)C2)CC1 ZINC000947882115 1333290026 /nfs/dbraw/zinc/29/00/26/1333290026.db2.gz OEERCOLWLSZEQA-XLIONFOSSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947881875 1333290123 /nfs/dbraw/zinc/29/01/23/1333290123.db2.gz KNCWPAWZUHMWEY-MJGOQNOKSA-N 2 1 335.536 3.042 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947940871 1333313406 /nfs/dbraw/zinc/31/34/06/1333313406.db2.gz UNFINHPXWLTFIZ-DOTOQJQBSA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947940871 1333313411 /nfs/dbraw/zinc/31/34/11/1333313411.db2.gz UNFINHPXWLTFIZ-DOTOQJQBSA-N 2 1 346.519 3.167 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[NH+](CCC(C)C)CC1 ZINC001197477329 1368823372 /nfs/dbraw/zinc/82/33/72/1368823372.db2.gz HKVSPEQYNKJBCY-UHFFFAOYSA-N 2 1 325.541 3.079 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@H+](CCC(C)C)CC1 ZINC001197477329 1368823378 /nfs/dbraw/zinc/82/33/78/1368823378.db2.gz HKVSPEQYNKJBCY-UHFFFAOYSA-N 2 1 325.541 3.079 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@@H+](CCC(C)C)CC1 ZINC001197477329 1368823382 /nfs/dbraw/zinc/82/33/82/1368823382.db2.gz HKVSPEQYNKJBCY-UHFFFAOYSA-N 2 1 325.541 3.079 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCC(C)C)CC1 ZINC000948416306 1333516878 /nfs/dbraw/zinc/51/68/78/1333516878.db2.gz CMGOCOWPWXKNSI-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCC(C)C)CC1 ZINC000948416306 1333516879 /nfs/dbraw/zinc/51/68/79/1333516879.db2.gz CMGOCOWPWXKNSI-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCC(C)C)CC1 ZINC000948416306 1333516883 /nfs/dbraw/zinc/51/68/83/1333516883.db2.gz CMGOCOWPWXKNSI-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CN(C(=O)c1sccc1C[NH+](C)C)[C@@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000948416821 1333517242 /nfs/dbraw/zinc/51/72/42/1333517242.db2.gz QEPQSLHLKLGLKQ-QGZVFWFLSA-N 2 1 349.544 3.146 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473954 1333540170 /nfs/dbraw/zinc/54/01/70/1333540170.db2.gz NQQHVRPNZPCFFU-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000948553670 1333572694 /nfs/dbraw/zinc/57/26/94/1333572694.db2.gz JYUSQDKCODDWDI-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC000948553670 1333572698 /nfs/dbraw/zinc/57/26/98/1333572698.db2.gz JYUSQDKCODDWDI-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC000948553670 1333572701 /nfs/dbraw/zinc/57/27/01/1333572701.db2.gz JYUSQDKCODDWDI-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948583219 1333584663 /nfs/dbraw/zinc/58/46/63/1333584663.db2.gz LKHIZYRPHOWDDY-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000948755816 1333663378 /nfs/dbraw/zinc/66/33/78/1333663378.db2.gz MHLOLSDVGZLESC-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CCC[NH+](CCC3CCCC3)CC2)C1 ZINC000948765863 1333668703 /nfs/dbraw/zinc/66/87/03/1333668703.db2.gz DKSULBOLKSAWGB-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@H+](CCC3CCCC3)CC2)C1 ZINC000948765863 1333668706 /nfs/dbraw/zinc/66/87/06/1333668706.db2.gz DKSULBOLKSAWGB-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CCC[N@@H+](CCC3CCCC3)CC2)C1 ZINC000948765863 1333668709 /nfs/dbraw/zinc/66/87/09/1333668709.db2.gz DKSULBOLKSAWGB-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@@H+]1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820401 1333697451 /nfs/dbraw/zinc/69/74/51/1333697451.db2.gz HKBWTDVPMDLNNU-KRWDZBQOSA-N 2 1 334.508 3.120 20 0 EGADMP CCCC[N@H+]1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820401 1333697452 /nfs/dbraw/zinc/69/74/52/1333697452.db2.gz HKBWTDVPMDLNNU-KRWDZBQOSA-N 2 1 334.508 3.120 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948852368 1333710292 /nfs/dbraw/zinc/71/02/92/1333710292.db2.gz MDPCDOPGHLLQPO-IBGZPJMESA-N 2 1 331.504 3.083 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000948858586 1333711478 /nfs/dbraw/zinc/71/14/78/1333711478.db2.gz LHQYIBORRGAPBW-QUCCMNQESA-N 2 1 343.515 3.075 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000948858586 1333711480 /nfs/dbraw/zinc/71/14/80/1333711480.db2.gz LHQYIBORRGAPBW-QUCCMNQESA-N 2 1 343.515 3.075 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000948858643 1333711887 /nfs/dbraw/zinc/71/18/87/1333711887.db2.gz MZMAMTUAXWCKIT-WOJBJXKFSA-N 2 1 343.515 3.156 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](N(C)C(=O)Cc2ncc[nH]2)CC1 ZINC000948886952 1333719351 /nfs/dbraw/zinc/71/93/51/1333719351.db2.gz UOAKXEVRCLLCLD-WMZOPIPTSA-N 2 1 340.471 3.026 20 0 EGADMP CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000949824769 1333933983 /nfs/dbraw/zinc/93/39/83/1333933983.db2.gz OJPGMXAAESDKQX-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC000950360349 1334050002 /nfs/dbraw/zinc/05/00/02/1334050002.db2.gz UIXSNLKTQFQKLW-VQIMIIECSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)C1C[NH+](CCC2CCCCC2)C1 ZINC000950465701 1334076023 /nfs/dbraw/zinc/07/60/23/1334076023.db2.gz DAYLFFRMLPEJCI-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)c1ccc2c[nH+]cn2c1)C1C[NH+](CCCC2CCC2)C1 ZINC000950890802 1334147117 /nfs/dbraw/zinc/14/71/17/1334147117.db2.gz YOHLCHNMOPPAOW-UHFFFAOYSA-N 2 1 340.471 3.061 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1C[NH+](CC2CCC2)C1 ZINC000951361349 1334230552 /nfs/dbraw/zinc/23/05/52/1334230552.db2.gz AIWSKLIFMGGXHP-FQEVSTJZSA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1C[NH+](CC2CCC2)C1 ZINC000951361349 1334230554 /nfs/dbraw/zinc/23/05/54/1334230554.db2.gz AIWSKLIFMGGXHP-FQEVSTJZSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967085477 1335658925 /nfs/dbraw/zinc/65/89/25/1335658925.db2.gz KOZVAAIWMKGRPY-BEFAXECRSA-N 2 1 340.471 3.049 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417287 1335924576 /nfs/dbraw/zinc/92/45/76/1335924576.db2.gz FEFRCHAHGGFDBC-FXAWDEMLSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000968644574 1335995358 /nfs/dbraw/zinc/99/53/58/1335995358.db2.gz BNXNSASQBPNBKV-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968672954 1336005452 /nfs/dbraw/zinc/00/54/52/1336005452.db2.gz HQDCOLFJDGMLBF-FXAWDEMLSA-N 2 1 345.531 3.235 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CC1 ZINC000968877130 1336076337 /nfs/dbraw/zinc/07/63/37/1336076337.db2.gz OIOKTXPOJCSXQA-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CC1 ZINC000968877130 1336076339 /nfs/dbraw/zinc/07/63/39/1336076339.db2.gz OIOKTXPOJCSXQA-KRWDZBQOSA-N 2 1 349.544 3.194 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1CCCC1 ZINC000968920451 1336088806 /nfs/dbraw/zinc/08/88/06/1336088806.db2.gz VTMXDZBWQGSTQF-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCC1CCCC1 ZINC000968920451 1336088809 /nfs/dbraw/zinc/08/88/09/1336088809.db2.gz VTMXDZBWQGSTQF-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CCCC1 ZINC000968920451 1336088812 /nfs/dbraw/zinc/08/88/12/1336088812.db2.gz VTMXDZBWQGSTQF-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CCCC1 ZINC000968920451 1336088816 /nfs/dbraw/zinc/08/88/16/1336088816.db2.gz VTMXDZBWQGSTQF-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936504 1336095613 /nfs/dbraw/zinc/09/56/13/1336095613.db2.gz JSQBHGOGXJVNKA-SFHVURJKSA-N 2 1 342.487 3.355 20 0 EGADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968990514 1336112423 /nfs/dbraw/zinc/11/24/23/1336112423.db2.gz FWQZTCQYFWHVHX-RTBURBONSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000968990514 1336112424 /nfs/dbraw/zinc/11/24/24/1336112424.db2.gz FWQZTCQYFWHVHX-RTBURBONSA-N 2 1 337.552 3.269 20 0 EGADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000968990514 1336112425 /nfs/dbraw/zinc/11/24/25/1336112425.db2.gz FWQZTCQYFWHVHX-RTBURBONSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCCC2)C1 ZINC000969657240 1336233753 /nfs/dbraw/zinc/23/37/53/1336233753.db2.gz AQXWSPWTHLCGTQ-PXNSSMCTSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CCCCC2)C1 ZINC000969795273 1336248694 /nfs/dbraw/zinc/24/86/94/1336248694.db2.gz DHLLYIOJRZAZHR-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000970143225 1336283991 /nfs/dbraw/zinc/28/39/91/1336283991.db2.gz UEXRNACHKNFJNQ-GOSISDBHSA-N 2 1 344.503 3.088 20 0 EGADMP CC(C)CC[NH+]1CCC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005503917 1336363630 /nfs/dbraw/zinc/36/36/30/1336363630.db2.gz LLEHRBHAGVUSOZ-LJQANCHMSA-N 2 1 337.552 3.218 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001006407508 1336500720 /nfs/dbraw/zinc/50/07/20/1336500720.db2.gz ORABLVHNTOHRAM-UHFFFAOYSA-N 2 1 346.519 3.085 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007500138 1336658557 /nfs/dbraw/zinc/65/85/57/1336658557.db2.gz QYXIUDFYJJJUKO-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001007500138 1336658559 /nfs/dbraw/zinc/65/85/59/1336658559.db2.gz QYXIUDFYJJJUKO-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001007500138 1336658562 /nfs/dbraw/zinc/65/85/62/1336658562.db2.gz QYXIUDFYJJJUKO-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001007723200 1336691174 /nfs/dbraw/zinc/69/11/74/1336691174.db2.gz OIGJRBNDNXQEDF-GOSISDBHSA-N 2 1 348.450 3.037 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](CC(CC)CC)C2)C1 ZINC001008276528 1336812157 /nfs/dbraw/zinc/81/21/57/1336812157.db2.gz MKOHZUZQYJJBAJ-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@H+](CC(CC)CC)C2)C1 ZINC001008276528 1336812158 /nfs/dbraw/zinc/81/21/58/1336812158.db2.gz MKOHZUZQYJJBAJ-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(CC)CC)C2)C1 ZINC001008276528 1336812161 /nfs/dbraw/zinc/81/21/61/1336812161.db2.gz MKOHZUZQYJJBAJ-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001008345535 1336828825 /nfs/dbraw/zinc/82/88/25/1336828825.db2.gz UQRHJWITFWCZJA-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001008345535 1336828829 /nfs/dbraw/zinc/82/88/29/1336828829.db2.gz UQRHJWITFWCZJA-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001008769100 1336923921 /nfs/dbraw/zinc/92/39/21/1336923921.db2.gz OUJXRRBUFIDGPW-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001008769100 1336923924 /nfs/dbraw/zinc/92/39/24/1336923924.db2.gz OUJXRRBUFIDGPW-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001008769100 1336923926 /nfs/dbraw/zinc/92/39/26/1336923926.db2.gz OUJXRRBUFIDGPW-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001009637560 1337050549 /nfs/dbraw/zinc/05/05/49/1337050549.db2.gz PCMBOKLVMFGSBA-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001009637560 1337050551 /nfs/dbraw/zinc/05/05/51/1337050551.db2.gz PCMBOKLVMFGSBA-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001009637560 1337050552 /nfs/dbraw/zinc/05/05/52/1337050552.db2.gz PCMBOKLVMFGSBA-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001014707750 1337877649 /nfs/dbraw/zinc/87/76/49/1337877649.db2.gz UZVBRPBSMDJWEL-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001014707750 1337877651 /nfs/dbraw/zinc/87/76/51/1337877651.db2.gz UZVBRPBSMDJWEL-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001014707750 1337877654 /nfs/dbraw/zinc/87/76/54/1337877654.db2.gz UZVBRPBSMDJWEL-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001014720295 1337882444 /nfs/dbraw/zinc/88/24/44/1337882444.db2.gz CRKFHIBQIOOEGQ-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001014720295 1337882448 /nfs/dbraw/zinc/88/24/48/1337882448.db2.gz CRKFHIBQIOOEGQ-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001014720295 1337882453 /nfs/dbraw/zinc/88/24/53/1337882453.db2.gz CRKFHIBQIOOEGQ-VQTJNVASSA-N 2 1 347.547 3.330 20 0 EGADMP CC[NH+]1CCC([N@H+](C)CCc2ccccc2Br)CC1 ZINC001207531510 1371427360 /nfs/dbraw/zinc/42/73/60/1371427360.db2.gz VFQITGVHZIYOOP-UHFFFAOYSA-N 2 1 325.294 3.408 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)CCc2ccccc2Br)CC1 ZINC001207531510 1371427362 /nfs/dbraw/zinc/42/73/62/1371427362.db2.gz VFQITGVHZIYOOP-UHFFFAOYSA-N 2 1 325.294 3.408 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001015596338 1338199847 /nfs/dbraw/zinc/19/98/47/1338199847.db2.gz AZJWIZLSUXDVFZ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CCCC3CCCC3)C2)C1 ZINC001015596338 1338199850 /nfs/dbraw/zinc/19/98/50/1338199850.db2.gz AZJWIZLSUXDVFZ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001015596338 1338199852 /nfs/dbraw/zinc/19/98/52/1338199852.db2.gz AZJWIZLSUXDVFZ-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001015781742 1338307614 /nfs/dbraw/zinc/30/76/14/1338307614.db2.gz NQNVMPCIOVMBMH-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001015781742 1338307616 /nfs/dbraw/zinc/30/76/16/1338307616.db2.gz NQNVMPCIOVMBMH-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC(CC)CC)C1 ZINC001015971812 1338384758 /nfs/dbraw/zinc/38/47/58/1338384758.db2.gz DPLJFLAQDBOCQG-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001015971812 1338384760 /nfs/dbraw/zinc/38/47/60/1338384760.db2.gz DPLJFLAQDBOCQG-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001015971812 1338384762 /nfs/dbraw/zinc/38/47/62/1338384762.db2.gz DPLJFLAQDBOCQG-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016662562 1338683053 /nfs/dbraw/zinc/68/30/53/1338683053.db2.gz KRHMAYVYSYZDMT-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001016830409 1338739919 /nfs/dbraw/zinc/73/99/19/1338739919.db2.gz SAIACOIHMFAAFF-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016860990 1338750677 /nfs/dbraw/zinc/75/06/77/1338750677.db2.gz MDYKFMDAURLPCW-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001016861138 1338750887 /nfs/dbraw/zinc/75/08/87/1338750887.db2.gz SRSSCSQRHIWFKM-SJORKVTESA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016862345 1338751287 /nfs/dbraw/zinc/75/12/87/1338751287.db2.gz WMTGRLGOLZVCGQ-OALUTQOASA-N 2 1 349.563 3.266 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001017146759 1338896658 /nfs/dbraw/zinc/89/66/58/1338896658.db2.gz RHZHVDKIRVIOGU-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCC1)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001017146759 1338896664 /nfs/dbraw/zinc/89/66/64/1338896664.db2.gz RHZHVDKIRVIOGU-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCC1)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001017146759 1338896667 /nfs/dbraw/zinc/89/66/67/1338896667.db2.gz RHZHVDKIRVIOGU-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001017225409 1338965560 /nfs/dbraw/zinc/96/55/60/1338965560.db2.gz YMLVGDIBULCBAC-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001017689172 1339391704 /nfs/dbraw/zinc/39/17/04/1339391704.db2.gz NDECQPHMGCVAMT-KDURUIRLSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001017689172 1339391708 /nfs/dbraw/zinc/39/17/08/1339391708.db2.gz NDECQPHMGCVAMT-KDURUIRLSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001017689172 1339391712 /nfs/dbraw/zinc/39/17/12/1339391712.db2.gz NDECQPHMGCVAMT-KDURUIRLSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001017689172 1339391715 /nfs/dbraw/zinc/39/17/15/1339391715.db2.gz NDECQPHMGCVAMT-KDURUIRLSA-N 2 1 347.547 3.281 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC(CC)CC)C1 ZINC001028088964 1340417534 /nfs/dbraw/zinc/41/75/34/1340417534.db2.gz RYABLWVLHAQRTF-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(CC)CC)C1 ZINC001028088964 1340417535 /nfs/dbraw/zinc/41/75/35/1340417535.db2.gz RYABLWVLHAQRTF-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC(CC)CC)C1 ZINC001028088964 1340417536 /nfs/dbraw/zinc/41/75/36/1340417536.db2.gz RYABLWVLHAQRTF-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCC(C)(C)C)C1 ZINC001028089362 1340418847 /nfs/dbraw/zinc/41/88/47/1340418847.db2.gz ZQHKJRAKQSZIJJ-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCC(C)(C)C)C1 ZINC001028089362 1340418849 /nfs/dbraw/zinc/41/88/49/1340418849.db2.gz ZQHKJRAKQSZIJJ-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCC(C)(C)C)C1 ZINC001028089362 1340418851 /nfs/dbraw/zinc/41/88/51/1340418851.db2.gz ZQHKJRAKQSZIJJ-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028094391 1340422749 /nfs/dbraw/zinc/42/27/49/1340422749.db2.gz YPMLBNAOJFARBU-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028094391 1340422750 /nfs/dbraw/zinc/42/27/50/1340422750.db2.gz YPMLBNAOJFARBU-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028094391 1340422753 /nfs/dbraw/zinc/42/27/53/1340422753.db2.gz YPMLBNAOJFARBU-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001028181131 1340471328 /nfs/dbraw/zinc/47/13/28/1340471328.db2.gz OONHVBJMEBCFPZ-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001028181131 1340471329 /nfs/dbraw/zinc/47/13/29/1340471329.db2.gz OONHVBJMEBCFPZ-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCC1 ZINC001028181131 1340471330 /nfs/dbraw/zinc/47/13/30/1340471330.db2.gz OONHVBJMEBCFPZ-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCC1 ZINC001028252367 1340512949 /nfs/dbraw/zinc/51/29/49/1340512949.db2.gz UZMBNHDUYQDQPQ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCC1 ZINC001028252367 1340512951 /nfs/dbraw/zinc/51/29/51/1340512951.db2.gz UZMBNHDUYQDQPQ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCC1 ZINC001028252367 1340512954 /nfs/dbraw/zinc/51/29/54/1340512954.db2.gz UZMBNHDUYQDQPQ-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343536 1340583232 /nfs/dbraw/zinc/58/32/32/1340583232.db2.gz PCBWHDJWMCUTAH-INIZCTEOSA-N 2 1 335.492 3.116 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001028844738 1340856031 /nfs/dbraw/zinc/85/60/31/1340856031.db2.gz BGIQOUFRURHMDJ-PKOBYXMFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001028844738 1340856035 /nfs/dbraw/zinc/85/60/35/1340856035.db2.gz BGIQOUFRURHMDJ-PKOBYXMFSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001028844738 1340856044 /nfs/dbraw/zinc/85/60/44/1340856044.db2.gz BGIQOUFRURHMDJ-PKOBYXMFSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001028918640 1340884127 /nfs/dbraw/zinc/88/41/27/1340884127.db2.gz KFBYIIBOGAIVCJ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001028918640 1340884128 /nfs/dbraw/zinc/88/41/28/1340884128.db2.gz KFBYIIBOGAIVCJ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001028918640 1340884129 /nfs/dbraw/zinc/88/41/29/1340884129.db2.gz KFBYIIBOGAIVCJ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029106580 1340931418 /nfs/dbraw/zinc/93/14/18/1340931418.db2.gz RFVZGHZMFZAPRI-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]C(C)C)CC1 ZINC001029163681 1340946145 /nfs/dbraw/zinc/94/61/45/1340946145.db2.gz AXQLGDRYNYGEIT-PKOBYXMFSA-N 2 1 337.552 3.266 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001029737547 1341058925 /nfs/dbraw/zinc/05/89/25/1341058925.db2.gz LRDNDMJZGMSMLD-XBMUEBEBSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC001029755114 1341064132 /nfs/dbraw/zinc/06/41/32/1341064132.db2.gz HZUPBYCOLAYRTD-AZUAARDMSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001029944661 1341130505 /nfs/dbraw/zinc/13/05/05/1341130505.db2.gz PAGJJXKDXSTIOJ-FXAWDEMLSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001029944661 1341130506 /nfs/dbraw/zinc/13/05/06/1341130506.db2.gz PAGJJXKDXSTIOJ-FXAWDEMLSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001029944661 1341130507 /nfs/dbraw/zinc/13/05/07/1341130507.db2.gz PAGJJXKDXSTIOJ-FXAWDEMLSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001029971107 1341138800 /nfs/dbraw/zinc/13/88/00/1341138800.db2.gz KRPBLMPRTODTMN-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001029971107 1341138802 /nfs/dbraw/zinc/13/88/02/1341138802.db2.gz KRPBLMPRTODTMN-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCCCC2)C1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001030306090 1341177705 /nfs/dbraw/zinc/17/77/05/1341177705.db2.gz KATPQWZHURSHIY-QUCCMNQESA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H](C(=O)NC1C[NH+](CCC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001031045314 1341269337 /nfs/dbraw/zinc/26/93/37/1341269337.db2.gz LAYLNAOVTCRCLH-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CCC(C)CC2)C1 ZINC001032026631 1341441833 /nfs/dbraw/zinc/44/18/33/1341441833.db2.gz HFTRFDFJTXHYQQ-QLOJAFMTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001032205633 1341472893 /nfs/dbraw/zinc/47/28/93/1341472893.db2.gz DGMUHHOYAFGULJ-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001032446166 1341512843 /nfs/dbraw/zinc/51/28/43/1341512843.db2.gz XNIONTWLZGBQFD-GBESFXJTSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001032446166 1341512844 /nfs/dbraw/zinc/51/28/44/1341512844.db2.gz XNIONTWLZGBQFD-GBESFXJTSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001032446166 1341512845 /nfs/dbraw/zinc/51/28/45/1341512845.db2.gz XNIONTWLZGBQFD-GBESFXJTSA-N 2 1 347.547 3.115 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033077925 1341717771 /nfs/dbraw/zinc/71/77/71/1341717771.db2.gz UFWIUJGWVNSLND-LJQANCHMSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033081904 1341718053 /nfs/dbraw/zinc/71/80/53/1341718053.db2.gz NNNROGJQZJQULB-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033081904 1341718054 /nfs/dbraw/zinc/71/80/54/1341718054.db2.gz NNNROGJQZJQULB-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033081904 1341718055 /nfs/dbraw/zinc/71/80/55/1341718055.db2.gz NNNROGJQZJQULB-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001033083064 1341719064 /nfs/dbraw/zinc/71/90/64/1341719064.db2.gz UGRRULSCBVLIKX-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033083064 1341719065 /nfs/dbraw/zinc/71/90/65/1341719065.db2.gz UGRRULSCBVLIKX-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033083064 1341719067 /nfs/dbraw/zinc/71/90/67/1341719067.db2.gz UGRRULSCBVLIKX-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033123912 1341732772 /nfs/dbraw/zinc/73/27/72/1341732772.db2.gz UHWBMIOGTYIASB-ZBFHGGJFSA-N 2 1 337.533 3.002 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033123912 1341732774 /nfs/dbraw/zinc/73/27/74/1341732774.db2.gz UHWBMIOGTYIASB-ZBFHGGJFSA-N 2 1 337.533 3.002 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3CCCC3)C2)C1 ZINC001033143541 1341738169 /nfs/dbraw/zinc/73/81/69/1341738169.db2.gz HMMOJCLSDQQFDK-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCC3CCCC3)C2)C1 ZINC001033143541 1341738170 /nfs/dbraw/zinc/73/81/70/1341738170.db2.gz HMMOJCLSDQQFDK-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001033143541 1341738171 /nfs/dbraw/zinc/73/81/71/1341738171.db2.gz HMMOJCLSDQQFDK-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCC(C)(C)C)C2)C1 ZINC001033355265 1341794744 /nfs/dbraw/zinc/79/47/44/1341794744.db2.gz WTPZSVONPWUPTL-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001033355265 1341794745 /nfs/dbraw/zinc/79/47/45/1341794745.db2.gz WTPZSVONPWUPTL-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001033355265 1341794746 /nfs/dbraw/zinc/79/47/46/1341794746.db2.gz WTPZSVONPWUPTL-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365531 1341797699 /nfs/dbraw/zinc/79/76/99/1341797699.db2.gz OQSBCLQAYSDSNL-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365531 1341797700 /nfs/dbraw/zinc/79/77/00/1341797700.db2.gz OQSBCLQAYSDSNL-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365531 1341797701 /nfs/dbraw/zinc/79/77/01/1341797701.db2.gz OQSBCLQAYSDSNL-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033466919 1341837689 /nfs/dbraw/zinc/83/76/89/1341837689.db2.gz JBGZEJOJZWPQEV-MJGOQNOKSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001033468412 1341838322 /nfs/dbraw/zinc/83/83/22/1341838322.db2.gz ZFWMFYDBEPMCAN-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033468210 1341838348 /nfs/dbraw/zinc/83/83/48/1341838348.db2.gz WWOAEVUVCOYYRI-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033468210 1341838349 /nfs/dbraw/zinc/83/83/49/1341838349.db2.gz WWOAEVUVCOYYRI-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033471579 1341839710 /nfs/dbraw/zinc/83/97/10/1341839710.db2.gz LLRIOUONCDYZOC-ROUUACIJSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001033471579 1341839712 /nfs/dbraw/zinc/83/97/12/1341839712.db2.gz LLRIOUONCDYZOC-ROUUACIJSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001033471579 1341839714 /nfs/dbraw/zinc/83/97/14/1341839714.db2.gz LLRIOUONCDYZOC-ROUUACIJSA-N 2 1 349.544 3.044 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033472641 1341840337 /nfs/dbraw/zinc/84/03/37/1341840337.db2.gz ZLEACGGHOHRXBN-RBUKOAKNSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033472641 1341840338 /nfs/dbraw/zinc/84/03/38/1341840338.db2.gz ZLEACGGHOHRXBN-RBUKOAKNSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033472641 1341840339 /nfs/dbraw/zinc/84/03/39/1341840339.db2.gz ZLEACGGHOHRXBN-RBUKOAKNSA-N 2 1 349.563 3.218 20 0 EGADMP CN(C(=O)c1ccccc1C[NH+](C)C)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033685555 1341950857 /nfs/dbraw/zinc/95/08/57/1341950857.db2.gz MXJRGMMWVTVWNL-SFHVURJKSA-N 2 1 345.531 3.331 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033826368 1342027905 /nfs/dbraw/zinc/02/79/05/1342027905.db2.gz OXQUXPNRLGXGSC-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033826368 1342027906 /nfs/dbraw/zinc/02/79/06/1342027906.db2.gz OXQUXPNRLGXGSC-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033826368 1342027908 /nfs/dbraw/zinc/02/79/08/1342027908.db2.gz OXQUXPNRLGXGSC-RBUKOAKNSA-N 2 1 337.552 3.218 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC001033988385 1342133050 /nfs/dbraw/zinc/13/30/50/1342133050.db2.gz DNVDIHGOKDIWLG-QFBILLFUSA-N 2 1 349.494 3.033 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)CC1 ZINC001075459150 1356392968 /nfs/dbraw/zinc/39/29/68/1356392968.db2.gz ZUZJZYNLWAZHRP-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC001075459150 1356392970 /nfs/dbraw/zinc/39/29/70/1356392970.db2.gz ZUZJZYNLWAZHRP-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)CC1 ZINC001075459150 1356392975 /nfs/dbraw/zinc/39/29/75/1356392975.db2.gz ZUZJZYNLWAZHRP-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001034004451 1342142329 /nfs/dbraw/zinc/14/23/29/1342142329.db2.gz NLEYSBNGGSJWBY-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001034014893 1342152363 /nfs/dbraw/zinc/15/23/63/1342152363.db2.gz FUEJILVMYIKBCQ-HXUWFJFHSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034202737 1342312634 /nfs/dbraw/zinc/31/26/34/1342312634.db2.gz ANKSNTRSKHSTJM-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCCC2)C1 ZINC001034202737 1342312637 /nfs/dbraw/zinc/31/26/37/1342312637.db2.gz ANKSNTRSKHSTJM-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCCC2)C1 ZINC001034202737 1342312640 /nfs/dbraw/zinc/31/26/40/1342312640.db2.gz ANKSNTRSKHSTJM-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211454 1342321232 /nfs/dbraw/zinc/32/12/32/1342321232.db2.gz MXCOPDNBINHNQL-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034211454 1342321235 /nfs/dbraw/zinc/32/12/35/1342321235.db2.gz MXCOPDNBINHNQL-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034211454 1342321237 /nfs/dbraw/zinc/32/12/37/1342321237.db2.gz MXCOPDNBINHNQL-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2=CCCCC2)C1 ZINC001034272090 1342362616 /nfs/dbraw/zinc/36/26/16/1342362616.db2.gz RFFNSTAYJKCQDM-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2=CCCCC2)C1 ZINC001034272090 1342362620 /nfs/dbraw/zinc/36/26/20/1342362620.db2.gz RFFNSTAYJKCQDM-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2=CCCCC2)C1 ZINC001034272090 1342362621 /nfs/dbraw/zinc/36/26/21/1342362621.db2.gz RFFNSTAYJKCQDM-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034272601 1342363798 /nfs/dbraw/zinc/36/37/98/1342363798.db2.gz VYVLARHYJCQMLO-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034272601 1342363801 /nfs/dbraw/zinc/36/38/01/1342363801.db2.gz VYVLARHYJCQMLO-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCCCC2)C1 ZINC001034272601 1342363804 /nfs/dbraw/zinc/36/38/04/1342363804.db2.gz VYVLARHYJCQMLO-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCCCC2)C1 ZINC001034272601 1342363806 /nfs/dbraw/zinc/36/38/06/1342363806.db2.gz VYVLARHYJCQMLO-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034332484 1342406984 /nfs/dbraw/zinc/40/69/84/1342406984.db2.gz ZNBPKZFIOPGCDK-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCCC[N@@H+](CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001034340002 1342413865 /nfs/dbraw/zinc/41/38/65/1342413865.db2.gz KUFNVVVFYRMSFT-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340823 1342414829 /nfs/dbraw/zinc/41/48/29/1342414829.db2.gz VVWHIPVYJHWART-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCCC[NH+](CCC(C)C)C2)C1 ZINC001034367715 1342437389 /nfs/dbraw/zinc/43/73/89/1342437389.db2.gz HIEXWOOFNMSTDB-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCCC[N@H+](CCC(C)C)C2)C1 ZINC001034367715 1342437392 /nfs/dbraw/zinc/43/73/92/1342437392.db2.gz HIEXWOOFNMSTDB-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCC(C)C)C2)C1 ZINC001034367715 1342437395 /nfs/dbraw/zinc/43/73/95/1342437395.db2.gz HIEXWOOFNMSTDB-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3CC(C)(C)C3)C2)CC[N@H+]1C ZINC001034371010 1342440703 /nfs/dbraw/zinc/44/07/03/1342440703.db2.gz PWVRJVWSJAVNDN-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CC3CC(C)(C)C3)C2)CC[NH+]1C ZINC001034371010 1342440706 /nfs/dbraw/zinc/44/07/06/1342440706.db2.gz PWVRJVWSJAVNDN-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CC3CC(C)(C)C3)C2)CC[NH+]1C ZINC001034371010 1342440709 /nfs/dbraw/zinc/44/07/09/1342440709.db2.gz PWVRJVWSJAVNDN-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001034430955 1342492506 /nfs/dbraw/zinc/49/25/06/1342492506.db2.gz HZUWFQUVVKKWFE-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2CCCC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001034430957 1342492643 /nfs/dbraw/zinc/49/26/43/1342492643.db2.gz HZUWFQUVVKKWFE-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034440017 1342501147 /nfs/dbraw/zinc/50/11/47/1342501147.db2.gz YIQYHGDKRVESOM-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034440017 1342501153 /nfs/dbraw/zinc/50/11/53/1342501153.db2.gz YIQYHGDKRVESOM-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034440017 1342501158 /nfs/dbraw/zinc/50/11/58/1342501158.db2.gz YIQYHGDKRVESOM-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444322 1342504160 /nfs/dbraw/zinc/50/41/60/1342504160.db2.gz FIAFRXOJQYCVPP-FQEVSTJZSA-N 2 1 343.515 3.299 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](C/C=C\Cl)C2)cc1 ZINC001034444729 1342505391 /nfs/dbraw/zinc/50/53/91/1342505391.db2.gz KNEKAOQDENXIIU-YYLWEKDPSA-N 2 1 349.906 3.085 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444962 1342505535 /nfs/dbraw/zinc/50/55/35/1342505535.db2.gz OCCWIFVAKUCQGJ-MOPGFXCFSA-N 2 1 349.494 3.081 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034479354 1342536747 /nfs/dbraw/zinc/53/67/47/1342536747.db2.gz XFBNRVXZFBFNOA-HXUWFJFHSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528301 1342584816 /nfs/dbraw/zinc/58/48/16/1342584816.db2.gz LWECASFZKNICNS-OALUTQOASA-N 2 1 343.515 3.123 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034537870 1342594820 /nfs/dbraw/zinc/59/48/20/1342594820.db2.gz GGDUBQGZAXDZMO-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001034537870 1342594821 /nfs/dbraw/zinc/59/48/21/1342594821.db2.gz GGDUBQGZAXDZMO-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001034537870 1342594822 /nfs/dbraw/zinc/59/48/22/1342594822.db2.gz GGDUBQGZAXDZMO-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001034610248 1342646787 /nfs/dbraw/zinc/64/67/87/1342646787.db2.gz KGPKOLNDQZXGJT-GUDVDZBRSA-N 2 1 349.563 3.314 20 0 EGADMP O=C(N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001034663063 1342677112 /nfs/dbraw/zinc/67/71/12/1342677112.db2.gz PPHDXYMEHMAJBU-BJLQDIEVSA-N 2 1 347.547 3.211 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCC3)CC2)C1 ZINC001034712403 1342708695 /nfs/dbraw/zinc/70/86/95/1342708695.db2.gz WLARWOCJZZBWMC-VAMGGRTRSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001034716274 1342711369 /nfs/dbraw/zinc/71/13/69/1342711369.db2.gz VTPQKTMXPNLUSG-LNLFQRSKSA-N 2 1 335.536 3.209 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[C@@H]([NH2+]CC3CCC(C)CC3)CC2)C1 ZINC001034734481 1342729079 /nfs/dbraw/zinc/72/90/79/1342729079.db2.gz PIUFPJAECARHSM-DRRJLQACSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)C1 ZINC001035068813 1342910189 /nfs/dbraw/zinc/91/01/89/1342910189.db2.gz KDPSAFXMTDXKND-DAWZGUTISA-N 2 1 346.519 3.023 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001035073588 1342912898 /nfs/dbraw/zinc/91/28/98/1342912898.db2.gz SOEUCFUJSRTUBZ-VQIMIIECSA-N 2 1 346.519 3.139 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001035133059 1342948924 /nfs/dbraw/zinc/94/89/24/1342948924.db2.gz IXXRQLCJLVEVMA-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC2CC2)C1 ZINC001036458210 1343497598 /nfs/dbraw/zinc/49/75/98/1343497598.db2.gz UBEXDBVUGNSLAP-FUHWJXTLSA-N 2 1 346.519 3.023 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820704 1343759138 /nfs/dbraw/zinc/75/91/38/1343759138.db2.gz NEXUYEYATCFJSN-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820704 1343759141 /nfs/dbraw/zinc/75/91/41/1343759141.db2.gz NEXUYEYATCFJSN-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820704 1343759144 /nfs/dbraw/zinc/75/91/44/1343759144.db2.gz NEXUYEYATCFJSN-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001037923911 1344183639 /nfs/dbraw/zinc/18/36/39/1344183639.db2.gz GDCCAAKDNIEJAZ-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1[NH2+]CC1CC1 ZINC001037929352 1344187649 /nfs/dbraw/zinc/18/76/49/1344187649.db2.gz HOJYVSWEDPIHSR-ZWKOTPCHSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038354598 1344395354 /nfs/dbraw/zinc/39/53/54/1344395354.db2.gz VMKDUSRAPJCPAY-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038354598 1344395358 /nfs/dbraw/zinc/39/53/58/1344395358.db2.gz VMKDUSRAPJCPAY-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038354598 1344395363 /nfs/dbraw/zinc/39/53/63/1344395363.db2.gz VMKDUSRAPJCPAY-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP CC1(C)CCC(C[N@H+]2CC[C@@H]2CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001038463705 1344434968 /nfs/dbraw/zinc/43/49/68/1344434968.db2.gz VKOKCGXYTKSSQP-GOSISDBHSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CCCC2CCC2)cc1 ZINC001038815805 1344594801 /nfs/dbraw/zinc/59/48/01/1344594801.db2.gz HEUCBJUPQMOAKD-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCCC2CCCC2)CC1 ZINC001038865515 1344619358 /nfs/dbraw/zinc/61/93/58/1344619358.db2.gz VCWJNFZRMQCAOD-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001039131009 1344809759 /nfs/dbraw/zinc/80/97/59/1344809759.db2.gz DBJVTNQOGYQPJO-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001039150590 1344834226 /nfs/dbraw/zinc/83/42/26/1344834226.db2.gz ACHGWSIXFIPLNS-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC001039150590 1344834230 /nfs/dbraw/zinc/83/42/30/1344834230.db2.gz ACHGWSIXFIPLNS-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC001039150590 1344834232 /nfs/dbraw/zinc/83/42/32/1344834232.db2.gz ACHGWSIXFIPLNS-PMACEKPBSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039205219 1344916037 /nfs/dbraw/zinc/91/60/37/1344916037.db2.gz NGXXMRJQDROKOP-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039205219 1344916041 /nfs/dbraw/zinc/91/60/41/1344916041.db2.gz NGXXMRJQDROKOP-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039205219 1344916044 /nfs/dbraw/zinc/91/60/44/1344916044.db2.gz NGXXMRJQDROKOP-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039241850 1344967683 /nfs/dbraw/zinc/96/76/83/1344967683.db2.gz JMFNEQFOMBMLSR-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039241851 1344967797 /nfs/dbraw/zinc/96/77/97/1344967797.db2.gz JMFNEQFOMBMLSR-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001039444700 1345070338 /nfs/dbraw/zinc/07/03/38/1345070338.db2.gz OFBNOBDWNPEUPP-KURKYZTESA-N 2 1 346.519 3.118 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001039444700 1345070345 /nfs/dbraw/zinc/07/03/45/1345070345.db2.gz OFBNOBDWNPEUPP-KURKYZTESA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040205215 1345374892 /nfs/dbraw/zinc/37/48/92/1345374892.db2.gz OWYXHMGJUWLYCH-OAQYLSRUSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040237005 1345389366 /nfs/dbraw/zinc/38/93/66/1345389366.db2.gz PXKSYUKKHJRFEY-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040432246 1345494783 /nfs/dbraw/zinc/49/47/83/1345494783.db2.gz NLAMWOCROZDPRG-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](C(C)C)C2 ZINC001040433864 1345497309 /nfs/dbraw/zinc/49/73/09/1345497309.db2.gz ZXDPZZQLQSSRRO-HXUWFJFHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040433864 1345497311 /nfs/dbraw/zinc/49/73/11/1345497311.db2.gz ZXDPZZQLQSSRRO-HXUWFJFHSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001040544607 1345538944 /nfs/dbraw/zinc/53/89/44/1345538944.db2.gz XNIXECCKWHGUER-OAQYLSRUSA-N 2 1 343.515 3.086 20 0 EGADMP CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040544820 1345539041 /nfs/dbraw/zinc/53/90/41/1345539041.db2.gz KFHKZEKMZBOHBI-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040544821 1345539457 /nfs/dbraw/zinc/53/94/57/1345539457.db2.gz KFHKZEKMZBOHBI-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545930 1345540312 /nfs/dbraw/zinc/54/03/12/1345540312.db2.gz YUEJOUSYJPQQIA-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040547992 1345542118 /nfs/dbraw/zinc/54/21/18/1345542118.db2.gz ODTYIRROGQBYBV-FPOVZHCZSA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001040547992 1345542121 /nfs/dbraw/zinc/54/21/21/1345542121.db2.gz ODTYIRROGQBYBV-FPOVZHCZSA-N 2 1 343.515 3.014 20 0 EGADMP C[N@@H+](CC(=O)N1CCC2(C1)CC[NH+](CCC(C)(C)C)CC2)C1CCC1 ZINC001040730642 1345571779 /nfs/dbraw/zinc/57/17/79/1345571779.db2.gz YJSKUFVXRPVADY-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC3(C2)CC[NH+](CC(C)C)CC3)C1 ZINC001040817134 1345581959 /nfs/dbraw/zinc/58/19/59/1345581959.db2.gz KXNUZHVWISOGGW-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001040874939 1345592144 /nfs/dbraw/zinc/59/21/44/1345592144.db2.gz NDNBRDOHNWCZBG-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041275533 1345691591 /nfs/dbraw/zinc/69/15/91/1345691591.db2.gz DYNWEHCRHJUSHV-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041275533 1345691594 /nfs/dbraw/zinc/69/15/94/1345691594.db2.gz DYNWEHCRHJUSHV-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041275533 1345691596 /nfs/dbraw/zinc/69/15/96/1345691596.db2.gz DYNWEHCRHJUSHV-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424837 1345725625 /nfs/dbraw/zinc/72/56/25/1345725625.db2.gz PKXJTQFPIKQYOB-OAQYLSRUSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001041424837 1345725628 /nfs/dbraw/zinc/72/56/28/1345725628.db2.gz PKXJTQFPIKQYOB-OAQYLSRUSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001041424837 1345725631 /nfs/dbraw/zinc/72/56/31/1345725631.db2.gz PKXJTQFPIKQYOB-OAQYLSRUSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042085440 1345940452 /nfs/dbraw/zinc/94/04/52/1345940452.db2.gz NOFBRNFAQYNCLT-DOTOQJQBSA-N 2 1 349.544 3.146 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001042085440 1345940453 /nfs/dbraw/zinc/94/04/53/1345940453.db2.gz NOFBRNFAQYNCLT-DOTOQJQBSA-N 2 1 349.544 3.146 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042186113 1345973436 /nfs/dbraw/zinc/97/34/36/1345973436.db2.gz CZYNEAFHARWHNE-ROUUACIJSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042186112 1345973565 /nfs/dbraw/zinc/97/35/65/1345973565.db2.gz CZYNEAFHARWHNE-QZTJIDSGSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042268256 1346013147 /nfs/dbraw/zinc/01/31/47/1346013147.db2.gz BMEBVPGWQUIADO-AZUAARDMSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCCCCC2)C1 ZINC001043198490 1346152424 /nfs/dbraw/zinc/15/24/24/1346152424.db2.gz RCJRALWFMUITMD-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C2C[NH+](CCC3=CCCCC3)C2)C1 ZINC001043601558 1346197498 /nfs/dbraw/zinc/19/74/98/1346197498.db2.gz DMLCZURTIDUMDD-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP CN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1C[NH+](CCC2CCCCC2)C1 ZINC001044034106 1346237193 /nfs/dbraw/zinc/23/71/93/1346237193.db2.gz DOVFZLBUOSZEQM-ICSRJNTNSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1C[NH+](CCC2CCCCC2)C1 ZINC001044034106 1346237195 /nfs/dbraw/zinc/23/71/95/1346237195.db2.gz DOVFZLBUOSZEQM-ICSRJNTNSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CCCC2CCC2)C1 ZINC001044170930 1346265171 /nfs/dbraw/zinc/26/51/71/1346265171.db2.gz YFJWSOWFAVGEAX-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CCCC2CCC2)C1 ZINC001044170930 1346265172 /nfs/dbraw/zinc/26/51/72/1346265172.db2.gz YFJWSOWFAVGEAX-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)c1ccccc1C[NH+](C)C)C1C[NH+](CC2=CCCCC2)C1 ZINC001044330689 1346300997 /nfs/dbraw/zinc/30/09/97/1346300997.db2.gz GNBAHWTXWNNRRV-UHFFFAOYSA-N 2 1 341.499 3.005 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CC2CCCCCC2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044630355 1346387927 /nfs/dbraw/zinc/38/79/27/1346387927.db2.gz VURIZRPUFLZGAV-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001044743012 1346418636 /nfs/dbraw/zinc/41/86/36/1346418636.db2.gz JTGRWQFHOCTFDE-AEFFLSMTSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]([NH2+]CC2CCC2)C[C@H]1C ZINC001044766753 1346424176 /nfs/dbraw/zinc/42/41/76/1346424176.db2.gz LTRWUYHUKWOXPW-AEFFLSMTSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045068769 1346489136 /nfs/dbraw/zinc/48/91/36/1346489136.db2.gz QBLAWKOHJCTMCZ-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC1CC(C[NH2+]C[C@@H]2CCCN2C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001045099036 1346494838 /nfs/dbraw/zinc/49/48/38/1346494838.db2.gz BAFZTVKCSKGLEQ-TVPLGVNVSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045200666 1346529291 /nfs/dbraw/zinc/52/92/91/1346529291.db2.gz LCSVEUPBTODCPM-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001045385126 1346579912 /nfs/dbraw/zinc/57/99/12/1346579912.db2.gz FRJAJEDAJIKLJA-MJGOQNOKSA-N 2 1 343.515 3.121 20 0 EGADMP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001045584547 1346637208 /nfs/dbraw/zinc/63/72/08/1346637208.db2.gz GQPLIAASORDSDL-OALUTQOASA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1)[NH+](C)C ZINC001045797271 1346700537 /nfs/dbraw/zinc/70/05/37/1346700537.db2.gz YFIOCSJZVWQKSL-AABGKKOBSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001045847644 1346720143 /nfs/dbraw/zinc/72/01/43/1346720143.db2.gz LYQQWQSKOXBSJL-SXLOBPIMSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001045847644 1346720147 /nfs/dbraw/zinc/72/01/47/1346720147.db2.gz LYQQWQSKOXBSJL-SXLOBPIMSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001045847644 1346720148 /nfs/dbraw/zinc/72/01/48/1346720148.db2.gz LYQQWQSKOXBSJL-SXLOBPIMSA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921181 1346758309 /nfs/dbraw/zinc/75/83/09/1346758309.db2.gz HDUGPRZMTJRUDE-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001045921181 1346758310 /nfs/dbraw/zinc/75/83/10/1346758310.db2.gz HDUGPRZMTJRUDE-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001045921181 1346758315 /nfs/dbraw/zinc/75/83/15/1346758315.db2.gz HDUGPRZMTJRUDE-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001045921611 1346758831 /nfs/dbraw/zinc/75/88/31/1346758831.db2.gz PJGTXOBQBKDKQJ-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001045921611 1346758833 /nfs/dbraw/zinc/75/88/33/1346758833.db2.gz PJGTXOBQBKDKQJ-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001045921611 1346758837 /nfs/dbraw/zinc/75/88/37/1346758837.db2.gz PJGTXOBQBKDKQJ-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@]3(CC[NH+](C(C)C)C3)C2)C1 ZINC001045943905 1346779563 /nfs/dbraw/zinc/77/95/63/1346779563.db2.gz RGQAIZDURBOSRI-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CCCC[C@]3(CC[N@@H+](C(C)C)C3)C2)C1 ZINC001045943905 1346779565 /nfs/dbraw/zinc/77/95/65/1346779565.db2.gz RGQAIZDURBOSRI-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CCCC[C@]3(CC[N@H+](C(C)C)C3)C2)C1 ZINC001045943905 1346779567 /nfs/dbraw/zinc/77/95/67/1346779567.db2.gz RGQAIZDURBOSRI-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001045967540 1346801809 /nfs/dbraw/zinc/80/18/09/1346801809.db2.gz WYODUXZBQGENDS-PZJWPPBQSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045967540 1346801811 /nfs/dbraw/zinc/80/18/11/1346801811.db2.gz WYODUXZBQGENDS-PZJWPPBQSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045967540 1346801813 /nfs/dbraw/zinc/80/18/13/1346801813.db2.gz WYODUXZBQGENDS-PZJWPPBQSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001045974105 1346810034 /nfs/dbraw/zinc/81/00/34/1346810034.db2.gz YEUAUHCBESYHCK-FPOVZHCZSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001045974105 1346810037 /nfs/dbraw/zinc/81/00/37/1346810037.db2.gz YEUAUHCBESYHCK-FPOVZHCZSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045980167 1346817276 /nfs/dbraw/zinc/81/72/76/1346817276.db2.gz SFACSXHYPZFDDX-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001045980167 1346817278 /nfs/dbraw/zinc/81/72/78/1346817278.db2.gz SFACSXHYPZFDDX-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001045980167 1346817280 /nfs/dbraw/zinc/81/72/80/1346817280.db2.gz SFACSXHYPZFDDX-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001045985580 1346825946 /nfs/dbraw/zinc/82/59/46/1346825946.db2.gz XBLNKGOPLQLYOJ-OAQYLSRUSA-N 2 1 343.515 3.086 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045986120 1346827183 /nfs/dbraw/zinc/82/71/83/1346827183.db2.gz HJHISIYRVZARLH-OAQYLSRUSA-N 2 1 349.563 3.367 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CC2CCCCC2)C1 ZINC001046316366 1346932340 /nfs/dbraw/zinc/93/23/40/1346932340.db2.gz PFILETUHEMVOKV-ICSRJNTNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC2CCCCC2)C1 ZINC001046316366 1346932344 /nfs/dbraw/zinc/93/23/44/1346932344.db2.gz PFILETUHEMVOKV-ICSRJNTNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC2CCCCC2)C1 ZINC001046316366 1346932347 /nfs/dbraw/zinc/93/23/47/1346932347.db2.gz PFILETUHEMVOKV-ICSRJNTNSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@]1(NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+](CCCC2CCC2)C1 ZINC001046449471 1346977637 /nfs/dbraw/zinc/97/76/37/1346977637.db2.gz FIORAGCAOUFYLI-HXUWFJFHSA-N 2 1 340.471 3.109 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046619001 1347040226 /nfs/dbraw/zinc/04/02/26/1347040226.db2.gz LMOSKCMGPWLXTA-LAUBAEHRSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CC1)C2)[NH+]1CCCCC1 ZINC001047072980 1347201527 /nfs/dbraw/zinc/20/15/27/1347201527.db2.gz FMNBHSQUVOCVCR-FHWLQOOXSA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001047246619 1347271612 /nfs/dbraw/zinc/27/16/12/1347271612.db2.gz SVBQDWLYDLXKPP-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001048509788 1347572979 /nfs/dbraw/zinc/57/29/79/1347572979.db2.gz FRHTZQBTLSVIHA-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001048509788 1347572983 /nfs/dbraw/zinc/57/29/83/1347572983.db2.gz FRHTZQBTLSVIHA-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001048509788 1347572986 /nfs/dbraw/zinc/57/29/86/1347572986.db2.gz FRHTZQBTLSVIHA-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001048531396 1347580282 /nfs/dbraw/zinc/58/02/82/1347580282.db2.gz MWMSXVZRFOPTGK-RDGPPVDQSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001048531396 1347580280 /nfs/dbraw/zinc/58/02/80/1347580280.db2.gz MWMSXVZRFOPTGK-RDGPPVDQSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001048531396 1347580283 /nfs/dbraw/zinc/58/02/83/1347580283.db2.gz MWMSXVZRFOPTGK-RDGPPVDQSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001048538459 1347583656 /nfs/dbraw/zinc/58/36/56/1347583656.db2.gz VMVDJKBMIAORBQ-IYWMVGAKSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001048538459 1347583659 /nfs/dbraw/zinc/58/36/59/1347583659.db2.gz VMVDJKBMIAORBQ-IYWMVGAKSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001048538459 1347583661 /nfs/dbraw/zinc/58/36/61/1347583661.db2.gz VMVDJKBMIAORBQ-IYWMVGAKSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)(C)CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001048820921 1347665104 /nfs/dbraw/zinc/66/51/04/1347665104.db2.gz TXRKQBLIIAIHRK-HDICACEKSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001049526703 1347893275 /nfs/dbraw/zinc/89/32/75/1347893275.db2.gz WJWJSLJAUPEDNN-VAMGGRTRSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049526703 1347893277 /nfs/dbraw/zinc/89/32/77/1347893277.db2.gz WJWJSLJAUPEDNN-VAMGGRTRSA-N 2 1 347.547 3.281 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049526703 1347893281 /nfs/dbraw/zinc/89/32/81/1347893281.db2.gz WJWJSLJAUPEDNN-VAMGGRTRSA-N 2 1 347.547 3.281 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC001049537529 1347897518 /nfs/dbraw/zinc/89/75/18/1347897518.db2.gz RHZYLNOOXMTJPD-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCC1 ZINC001049537529 1347897521 /nfs/dbraw/zinc/89/75/21/1347897521.db2.gz RHZYLNOOXMTJPD-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCC1 ZINC001049537529 1347897523 /nfs/dbraw/zinc/89/75/23/1347897523.db2.gz RHZYLNOOXMTJPD-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC1CCCC1 ZINC001049558818 1347908655 /nfs/dbraw/zinc/90/86/55/1347908655.db2.gz RWLVUBXOYGJFBV-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CCCC1 ZINC001049558818 1347908657 /nfs/dbraw/zinc/90/86/57/1347908657.db2.gz RWLVUBXOYGJFBV-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CCCC1 ZINC001049558818 1347908660 /nfs/dbraw/zinc/90/86/60/1347908660.db2.gz RWLVUBXOYGJFBV-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049638889 1347948351 /nfs/dbraw/zinc/94/83/51/1347948351.db2.gz NCBQRPOHSWOLLZ-OALUTQOASA-N 2 1 349.563 3.362 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC1CCCC1 ZINC001049655831 1347958388 /nfs/dbraw/zinc/95/83/88/1347958388.db2.gz RWLVUBXOYGJFBV-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CCCC1 ZINC001049655831 1347958391 /nfs/dbraw/zinc/95/83/91/1347958391.db2.gz RWLVUBXOYGJFBV-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CCCC1 ZINC001049655831 1347958392 /nfs/dbraw/zinc/95/83/92/1347958392.db2.gz RWLVUBXOYGJFBV-UFYCRDLUSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763749 1348008336 /nfs/dbraw/zinc/00/83/36/1348008336.db2.gz XWYRPEDSACPXTK-QZTJIDSGSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763749 1348008342 /nfs/dbraw/zinc/00/83/42/1348008342.db2.gz XWYRPEDSACPXTK-QZTJIDSGSA-N 2 1 346.519 3.118 20 0 EGADMP C[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCC1)[NH+]1CCCCCC1 ZINC001049764534 1348009298 /nfs/dbraw/zinc/00/92/98/1348009298.db2.gz DFUVHMFUJVNMDX-YZGWKJHDSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC(C)C ZINC001049837166 1348049979 /nfs/dbraw/zinc/04/99/79/1348049979.db2.gz OFBBZVANYNINQR-VAMGGRTRSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(C)C ZINC001049837166 1348049981 /nfs/dbraw/zinc/04/99/81/1348049981.db2.gz OFBBZVANYNINQR-VAMGGRTRSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(C)C ZINC001049837166 1348049983 /nfs/dbraw/zinc/04/99/83/1348049983.db2.gz OFBBZVANYNINQR-VAMGGRTRSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001050245301 1348217336 /nfs/dbraw/zinc/21/73/36/1348217336.db2.gz LTQXGQGNSYAJOP-IBGZPJMESA-N 2 1 331.504 3.016 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001050245301 1348217337 /nfs/dbraw/zinc/21/73/37/1348217337.db2.gz LTQXGQGNSYAJOP-IBGZPJMESA-N 2 1 331.504 3.016 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001050245301 1348217341 /nfs/dbraw/zinc/21/73/41/1348217341.db2.gz LTQXGQGNSYAJOP-IBGZPJMESA-N 2 1 331.504 3.016 20 0 EGADMP CC1CC(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC001050359245 1348237640 /nfs/dbraw/zinc/23/76/40/1348237640.db2.gz RXOQGQSODZHCLS-NPFFOCMASA-N 2 1 349.563 3.027 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001051348742 1348439501 /nfs/dbraw/zinc/43/95/01/1348439501.db2.gz TXADNSVWOWZGPY-QWFCFKBJSA-N 2 1 343.515 3.121 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCC3CCCC3)CC2)CC[N@H+]1C ZINC001052394245 1348539065 /nfs/dbraw/zinc/53/90/65/1348539065.db2.gz CGXDKZIZVAIXGH-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](CCC3CCCC3)CC2)CC[NH+]1C ZINC001052394245 1348539067 /nfs/dbraw/zinc/53/90/67/1348539067.db2.gz CGXDKZIZVAIXGH-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCC3CCCC3)CC2)CC[NH+]1C ZINC001052394245 1348539068 /nfs/dbraw/zinc/53/90/68/1348539068.db2.gz CGXDKZIZVAIXGH-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515299 1348563972 /nfs/dbraw/zinc/56/39/72/1348563972.db2.gz CSZRPQITAQGNMS-RTBURBONSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515299 1348563974 /nfs/dbraw/zinc/56/39/74/1348563974.db2.gz CSZRPQITAQGNMS-RTBURBONSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515299 1348563976 /nfs/dbraw/zinc/56/39/76/1348563976.db2.gz CSZRPQITAQGNMS-RTBURBONSA-N 2 1 335.536 3.044 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1)c1ccc2c[nH+]cn2c1 ZINC001052562586 1348580123 /nfs/dbraw/zinc/58/01/23/1348580123.db2.gz VWLUWCVNFROOFT-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591648 1348588961 /nfs/dbraw/zinc/58/89/61/1348588961.db2.gz PYMYDUJQJKEPBR-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001052713544 1348645882 /nfs/dbraw/zinc/64/58/82/1348645882.db2.gz ZQJJYDKWYNCXCQ-UYAOXDASSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCC3=CCCCC3)CC2)C1 ZINC001052713544 1348645884 /nfs/dbraw/zinc/64/58/84/1348645884.db2.gz ZQJJYDKWYNCXCQ-UYAOXDASSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCC3=CCCCC3)CC2)C1 ZINC001052713544 1348645886 /nfs/dbraw/zinc/64/58/86/1348645886.db2.gz ZQJJYDKWYNCXCQ-UYAOXDASSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001052717078 1348646307 /nfs/dbraw/zinc/64/63/07/1348646307.db2.gz SJJFZARBRPQWTB-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC001052717078 1348646309 /nfs/dbraw/zinc/64/63/09/1348646309.db2.gz SJJFZARBRPQWTB-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC001052717078 1348646311 /nfs/dbraw/zinc/64/63/11/1348646311.db2.gz SJJFZARBRPQWTB-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC3CCC3)CC2)cc1 ZINC001052787653 1348679302 /nfs/dbraw/zinc/67/93/02/1348679302.db2.gz LIOVHZUIOTVLLM-FQEVSTJZSA-N 2 1 343.515 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001052930780 1348753238 /nfs/dbraw/zinc/75/32/38/1348753238.db2.gz GDVFXSMHEZMSBK-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001052930780 1348753241 /nfs/dbraw/zinc/75/32/41/1348753241.db2.gz GDVFXSMHEZMSBK-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCC3CCCCCC3)CC2)C1 ZINC001052936226 1348755670 /nfs/dbraw/zinc/75/56/70/1348755670.db2.gz YXCUIEFVBOIXPN-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCC3CCCCCC3)CC2)C1 ZINC001052936226 1348755673 /nfs/dbraw/zinc/75/56/73/1348755673.db2.gz YXCUIEFVBOIXPN-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCC3CCCCCC3)CC2)C1 ZINC001052936226 1348755676 /nfs/dbraw/zinc/75/56/76/1348755676.db2.gz YXCUIEFVBOIXPN-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052937883 1348756583 /nfs/dbraw/zinc/75/65/83/1348756583.db2.gz ONWXMNOLCQMIBK-MOPGFXCFSA-N 2 1 343.515 3.123 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+](C/C=C\Cl)CC2)c1 ZINC001052954158 1348768092 /nfs/dbraw/zinc/76/80/92/1348768092.db2.gz LVDDZWQJIMYPCA-PRCIHIDRSA-N 2 1 349.906 3.085 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+](CCC3CC3)CC2)c1 ZINC001052954132 1348768479 /nfs/dbraw/zinc/76/84/79/1348768479.db2.gz LKYLCRNJTJAARY-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001053029105 1348828220 /nfs/dbraw/zinc/82/82/20/1348828220.db2.gz YNQGTNNCPTXINN-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001053089534 1348915638 /nfs/dbraw/zinc/91/56/38/1348915638.db2.gz BSFNLYPINRPSBM-QFBILLFUSA-N 2 1 340.471 3.061 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054187471 1349190995 /nfs/dbraw/zinc/19/09/95/1349190995.db2.gz SCDNNFKYTHIVTP-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC3=CCCCC3)C2)C1)[NH+](C)C ZINC001054199561 1349201417 /nfs/dbraw/zinc/20/14/17/1349201417.db2.gz ZNRJFMFEKZDGAQ-PZJWPPBQSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209051 1349210725 /nfs/dbraw/zinc/21/07/25/1349210725.db2.gz HHWAKQMHFCMHHA-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209051 1349210728 /nfs/dbraw/zinc/21/07/28/1349210728.db2.gz HHWAKQMHFCMHHA-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001054209051 1349210733 /nfs/dbraw/zinc/21/07/33/1349210733.db2.gz HHWAKQMHFCMHHA-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](C(C)C)C2)C1 ZINC001054226479 1349220447 /nfs/dbraw/zinc/22/04/47/1349220447.db2.gz QUXLZVTVANCLQF-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001054226479 1349220451 /nfs/dbraw/zinc/22/04/51/1349220451.db2.gz QUXLZVTVANCLQF-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001054226479 1349220453 /nfs/dbraw/zinc/22/04/53/1349220453.db2.gz QUXLZVTVANCLQF-FPOVZHCZSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245280 1349238763 /nfs/dbraw/zinc/23/87/63/1349238763.db2.gz QKUXARJFWWWAOS-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2C1 ZINC001054270767 1349270355 /nfs/dbraw/zinc/27/03/55/1349270355.db2.gz ZZQRNKKYIXFNIB-HXUWFJFHSA-N 2 1 343.515 3.149 20 0 EGADMP CC(C)CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C)cc2C1 ZINC001054270767 1349270360 /nfs/dbraw/zinc/27/03/60/1349270360.db2.gz ZZQRNKKYIXFNIB-HXUWFJFHSA-N 2 1 343.515 3.149 20 0 EGADMP CC(C)CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@H+]3C)cc2C1 ZINC001054270767 1349270367 /nfs/dbraw/zinc/27/03/67/1349270367.db2.gz ZZQRNKKYIXFNIB-HXUWFJFHSA-N 2 1 343.515 3.149 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)c1cccc(Cl)c1 ZINC001054296785 1349301778 /nfs/dbraw/zinc/30/17/78/1349301778.db2.gz LHZIEOIPYZVZFD-ZTFGCOKTSA-N 2 1 349.906 3.076 20 0 EGADMP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC001054297528 1349301817 /nfs/dbraw/zinc/30/18/17/1349301817.db2.gz CMJFDAGLWVYFEC-AQNXPRMDSA-N 2 1 343.515 3.203 20 0 EGADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554160 1357676976 /nfs/dbraw/zinc/67/69/76/1357676976.db2.gz DOYXQRQHJGYFBC-QWFCFKBJSA-N 2 1 347.547 3.188 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2=CCCCC2)C1 ZINC001183082075 1387259144 /nfs/dbraw/zinc/25/91/44/1387259144.db2.gz HACFGVFAEHFIBK-WIYYLYMNSA-N 2 1 349.563 3.293 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071508239 1354733436 /nfs/dbraw/zinc/73/34/36/1354733436.db2.gz LHCLWGFEYDJHMC-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC3CCC3)C2)ccc2c[nH+]cn21 ZINC001071627388 1354811442 /nfs/dbraw/zinc/81/14/42/1354811442.db2.gz FCFWAXQFXQJCCP-RHSMWYFYSA-N 2 1 340.471 3.026 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CCC1=CCCCC1 ZINC001088818045 1360062701 /nfs/dbraw/zinc/06/27/01/1360062701.db2.gz SWNNNWMVQJDWOI-HNJRGHQBSA-N 2 1 347.547 3.186 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CCC1=CCCCC1 ZINC001088818045 1360062704 /nfs/dbraw/zinc/06/27/04/1360062704.db2.gz SWNNNWMVQJDWOI-HNJRGHQBSA-N 2 1 347.547 3.186 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CCC1=CCCCC1 ZINC001088818045 1360062709 /nfs/dbraw/zinc/06/27/09/1360062709.db2.gz SWNNNWMVQJDWOI-HNJRGHQBSA-N 2 1 347.547 3.186 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@H+]1CC1CCCC1 ZINC001071682966 1354849448 /nfs/dbraw/zinc/84/94/48/1354849448.db2.gz VIHQVBUSBFZFHB-YJBOKZPZSA-N 2 1 340.471 3.107 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[N@H+]1CCC(C)(C)C ZINC001071689196 1354851931 /nfs/dbraw/zinc/85/19/31/1354851931.db2.gz HLZWMAGVTUVIEL-NVXWUHKLSA-N 2 1 342.487 3.353 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001071689866 1354853774 /nfs/dbraw/zinc/85/37/74/1354853774.db2.gz QPEVAVFAYUGDQE-VQIMIIECSA-N 2 1 344.503 3.051 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001071689866 1354853777 /nfs/dbraw/zinc/85/37/77/1354853777.db2.gz QPEVAVFAYUGDQE-VQIMIIECSA-N 2 1 344.503 3.051 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@@H+]1Cc1ccsc1 ZINC001071735968 1354888424 /nfs/dbraw/zinc/88/84/24/1354888424.db2.gz VQNQJHGCXVZALC-NVXWUHKLSA-N 2 1 349.544 3.092 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1Cc1ccsc1 ZINC001071735968 1354888426 /nfs/dbraw/zinc/88/84/26/1354888426.db2.gz VQNQJHGCXVZALC-NVXWUHKLSA-N 2 1 349.544 3.092 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CCC1CCCC1 ZINC001071822487 1354962277 /nfs/dbraw/zinc/96/22/77/1354962277.db2.gz XSUHZMGOLXLDHV-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CCC1CCCC1 ZINC001071822487 1354962281 /nfs/dbraw/zinc/96/22/81/1354962281.db2.gz XSUHZMGOLXLDHV-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CCC1CCCC1 ZINC001071822487 1354962284 /nfs/dbraw/zinc/96/22/84/1354962284.db2.gz XSUHZMGOLXLDHV-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@H+]1CCCC1CCC1 ZINC001071871723 1354996925 /nfs/dbraw/zinc/99/69/25/1354996925.db2.gz JYAYAUNSHJSTFV-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071873520 1354998510 /nfs/dbraw/zinc/99/85/10/1354998510.db2.gz YATNNPMWKOFOSS-LPHOPBHVSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183165164 1387270867 /nfs/dbraw/zinc/27/08/67/1387270867.db2.gz QDQWRPKNECDTRP-BWPKTWLJSA-N 2 1 349.563 3.149 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C)[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001071919811 1355024773 /nfs/dbraw/zinc/02/47/73/1355024773.db2.gz IGADZJKBZJQZQW-HKUYNNGSSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001072085150 1355120258 /nfs/dbraw/zinc/12/02/58/1355120258.db2.gz NUQZHESTOZHMRC-VQIMIIECSA-N 2 1 344.503 3.051 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001072085150 1355120261 /nfs/dbraw/zinc/12/02/61/1355120261.db2.gz NUQZHESTOZHMRC-VQIMIIECSA-N 2 1 344.503 3.051 20 0 EGADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001072301474 1355228623 /nfs/dbraw/zinc/22/86/23/1355228623.db2.gz QVRZFKFZFANQKA-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2)[NH+]1CCCCCC1 ZINC001073035727 1355563600 /nfs/dbraw/zinc/56/36/00/1355563600.db2.gz PVRLNNASBUNDGU-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCCC1)[NH+](C)C ZINC001074030121 1356043716 /nfs/dbraw/zinc/04/37/16/1356043716.db2.gz IJJUQGCAYXWGHF-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC1CCC(C[N@@H+](C)C[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)CC1 ZINC001074099798 1356083027 /nfs/dbraw/zinc/08/30/27/1356083027.db2.gz BRAVLTAKEKNBSI-SOAGJPPSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CC3CC(C)(C)C3)[C@@H]2C)C1 ZINC001074826026 1356256503 /nfs/dbraw/zinc/25/65/03/1356256503.db2.gz SWQWDQRPLMOFON-WDSOQIARSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458914 1356392088 /nfs/dbraw/zinc/39/20/88/1356392088.db2.gz SPIKJFUIFYAPNV-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458914 1356392091 /nfs/dbraw/zinc/39/20/91/1356392091.db2.gz SPIKJFUIFYAPNV-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458914 1356392094 /nfs/dbraw/zinc/39/20/94/1356392094.db2.gz SPIKJFUIFYAPNV-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461625 1356395498 /nfs/dbraw/zinc/39/54/98/1356395498.db2.gz MXPPMKRGDXRORM-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)(C)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001183254789 1387285826 /nfs/dbraw/zinc/28/58/26/1387285826.db2.gz GAOPCUKWOBNRKC-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001099120813 1363635280 /nfs/dbraw/zinc/63/52/80/1363635280.db2.gz GFPSQJONONRSOD-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001099120813 1363635281 /nfs/dbraw/zinc/63/52/81/1363635281.db2.gz GFPSQJONONRSOD-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001099120813 1363635284 /nfs/dbraw/zinc/63/52/84/1363635284.db2.gz GFPSQJONONRSOD-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001099120813 1363635287 /nfs/dbraw/zinc/63/52/87/1363635287.db2.gz GFPSQJONONRSOD-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001082783319 1358092426 /nfs/dbraw/zinc/09/24/26/1358092426.db2.gz QUYVJXBUWLFUSA-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001082861901 1358099903 /nfs/dbraw/zinc/09/99/03/1358099903.db2.gz RXZHKUPIFXKGDE-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001183509126 1387315401 /nfs/dbraw/zinc/31/54/01/1387315401.db2.gz AEGJBHLAIYUPFT-UQKJKQERSA-N 2 1 337.552 3.147 20 0 EGADMP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001183517292 1387315973 /nfs/dbraw/zinc/31/59/73/1387315973.db2.gz YWTOAWSLSYZYMD-VWICVCDTSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21)[NH+](C)C ZINC001084667475 1358272724 /nfs/dbraw/zinc/27/27/24/1358272724.db2.gz GPOISWQETCMZOZ-CEXWTWQISA-N 2 1 349.563 3.076 20 0 EGADMP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085199320 1358432172 /nfs/dbraw/zinc/43/21/72/1358432172.db2.gz GKDJFDXEQGKSRQ-QXAKKESOSA-N 2 1 335.536 3.068 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCCC2)CC[N@H+]1C ZINC001085201991 1358432200 /nfs/dbraw/zinc/43/22/00/1358432200.db2.gz JJGMDRUVBUMUHO-VBSBHUPXSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085224923 1358437890 /nfs/dbraw/zinc/43/78/90/1358437890.db2.gz ARVMLHMMIRDUHD-QRVBRYPASA-N 2 1 335.536 3.066 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCCC2CCCC2)CC[N@H+]1C ZINC001085603998 1358626910 /nfs/dbraw/zinc/62/69/10/1358626910.db2.gz UHTOPBOLCYPJIU-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCCC2CCCC2)CC[NH+]1C ZINC001085603998 1358626912 /nfs/dbraw/zinc/62/69/12/1358626912.db2.gz UHTOPBOLCYPJIU-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCCC2CCCC2)CC[NH+]1C ZINC001085603998 1358626917 /nfs/dbraw/zinc/62/69/17/1358626917.db2.gz UHTOPBOLCYPJIU-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCC2CCC2)C1 ZINC001085778938 1358753587 /nfs/dbraw/zinc/75/35/87/1358753587.db2.gz KMINZHQYFMRBJR-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCC2CCC2)C1 ZINC001085778938 1358753589 /nfs/dbraw/zinc/75/35/89/1358753589.db2.gz KMINZHQYFMRBJR-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCCC2CCC2)C1 ZINC001085778938 1358753591 /nfs/dbraw/zinc/75/35/91/1358753591.db2.gz KMINZHQYFMRBJR-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCCCC1 ZINC001085987740 1358939691 /nfs/dbraw/zinc/93/96/91/1358939691.db2.gz KQAIITWYUSVCMG-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001085987740 1358939694 /nfs/dbraw/zinc/93/96/94/1358939694.db2.gz KQAIITWYUSVCMG-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001085987740 1358939697 /nfs/dbraw/zinc/93/96/97/1358939697.db2.gz KQAIITWYUSVCMG-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC001086122816 1359002876 /nfs/dbraw/zinc/00/28/76/1359002876.db2.gz ZECLESJSAFSQRG-RNQOJCNYSA-N 2 1 343.515 3.106 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001086198668 1359025092 /nfs/dbraw/zinc/02/50/92/1359025092.db2.gz ASVRKZPHANJVDX-RSPOEFSDSA-N 2 1 349.563 3.029 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001086402133 1359087752 /nfs/dbraw/zinc/08/77/52/1359087752.db2.gz IZIFATPUVXVUOD-MLYOOKFZSA-N 2 1 343.515 3.025 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCCCC3)C2)CC[N@H+]1C ZINC001086701246 1359187873 /nfs/dbraw/zinc/18/78/73/1359187873.db2.gz LMEUGHBJVBGXQW-ZGXWSNOMSA-N 2 1 349.563 3.172 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(C)C)C1 ZINC001086850176 1359213503 /nfs/dbraw/zinc/21/35/03/1359213503.db2.gz ULERWSUDNDNGLE-IPMKNSEASA-N 2 1 337.552 3.172 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC3(C[C@@H]2C)CC[NH+](C(C)C)CC3)C1 ZINC001086938518 1359260914 /nfs/dbraw/zinc/26/09/14/1359260914.db2.gz SLSYEAGHGMLALQ-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001087318427 1359409856 /nfs/dbraw/zinc/40/98/56/1359409856.db2.gz XRXFVEPWLSUNMA-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1CC(C)C ZINC001087572734 1359537527 /nfs/dbraw/zinc/53/75/27/1359537527.db2.gz DGMPIVGAMLUXLY-YSIASYRMSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1CC(C)C ZINC001087572734 1359537529 /nfs/dbraw/zinc/53/75/29/1359537529.db2.gz DGMPIVGAMLUXLY-YSIASYRMSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1CC(C)C ZINC001087572734 1359537530 /nfs/dbraw/zinc/53/75/30/1359537530.db2.gz DGMPIVGAMLUXLY-YSIASYRMSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1CCC1CC1 ZINC001087590810 1359546637 /nfs/dbraw/zinc/54/66/37/1359546637.db2.gz XVSCZNPKYQYDHF-DLBZAZTESA-N 2 1 349.544 3.193 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@H+]1CCC1CC1 ZINC001087590810 1359546642 /nfs/dbraw/zinc/54/66/42/1359546642.db2.gz XVSCZNPKYQYDHF-DLBZAZTESA-N 2 1 349.544 3.193 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CCCC1CCCC1 ZINC001087625353 1359562140 /nfs/dbraw/zinc/56/21/40/1359562140.db2.gz DFHRDKYHWNLCIP-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CCCC1CCCC1 ZINC001087625353 1359562143 /nfs/dbraw/zinc/56/21/43/1359562143.db2.gz DFHRDKYHWNLCIP-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CCCC1CCCC1 ZINC001087625353 1359562148 /nfs/dbraw/zinc/56/21/48/1359562148.db2.gz DFHRDKYHWNLCIP-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CCCC1CCCC1 ZINC001087625353 1359562151 /nfs/dbraw/zinc/56/21/51/1359562151.db2.gz DFHRDKYHWNLCIP-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCCC1CCC1 ZINC001087749937 1359627467 /nfs/dbraw/zinc/62/74/67/1359627467.db2.gz JCNONTMGKIQWJT-VQTJNVASSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCCC1CCCC1 ZINC001087799168 1359651275 /nfs/dbraw/zinc/65/12/75/1359651275.db2.gz GTQOLMVDSICSIH-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@H+]1Cc1ccccc1 ZINC001087840588 1359673851 /nfs/dbraw/zinc/67/38/51/1359673851.db2.gz DTSYJWUPLYHMDP-XUVXKRRUSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC[NH+]1Cc1ccccc1 ZINC001087840588 1359673855 /nfs/dbraw/zinc/67/38/55/1359673855.db2.gz DTSYJWUPLYHMDP-XUVXKRRUSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC[NH+]1Cc1ccccc1 ZINC001087840588 1359673858 /nfs/dbraw/zinc/67/38/58/1359673858.db2.gz DTSYJWUPLYHMDP-XUVXKRRUSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1CC1CCC1 ZINC001087840853 1359674568 /nfs/dbraw/zinc/67/45/68/1359674568.db2.gz QLSWGDSWGVWWRK-VQTJNVASSA-N 2 1 343.515 3.131 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCCCC[C@H]([NH2+]CC3CCC3)C2)C1 ZINC001088367369 1359851734 /nfs/dbraw/zinc/85/17/34/1359851734.db2.gz IJYQKAGWQPIUJB-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001088382619 1359865351 /nfs/dbraw/zinc/86/53/51/1359865351.db2.gz GZRVBMJUOXASGB-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001088382989 1359865486 /nfs/dbraw/zinc/86/54/86/1359865486.db2.gz RBVOTKDEBDAXTM-AEFFLSMTSA-N 2 1 349.544 3.093 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCC3CCCCCC3)[C@@H]2C)CC[N@H+]1C ZINC001088577370 1359977847 /nfs/dbraw/zinc/97/78/47/1359977847.db2.gz QPCVAWJKZHDQLT-LFGUQSLTSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CCC3CCCCCC3)[C@@H]2C)CC[NH+]1C ZINC001088577370 1359977849 /nfs/dbraw/zinc/97/78/49/1359977849.db2.gz QPCVAWJKZHDQLT-LFGUQSLTSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CCC3CCCCCC3)[C@@H]2C)CC[NH+]1C ZINC001088577370 1359977852 /nfs/dbraw/zinc/97/78/52/1359977852.db2.gz QPCVAWJKZHDQLT-LFGUQSLTSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001088604990 1359989144 /nfs/dbraw/zinc/98/91/44/1359989144.db2.gz BWDBPRHEYLNLQI-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1C ZINC001088604990 1359989148 /nfs/dbraw/zinc/98/91/48/1359989148.db2.gz BWDBPRHEYLNLQI-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1C ZINC001088604990 1359989151 /nfs/dbraw/zinc/98/91/51/1359989151.db2.gz BWDBPRHEYLNLQI-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC2CCCC2)[C@@H]1C ZINC001088605157 1359989356 /nfs/dbraw/zinc/98/93/56/1359989356.db2.gz JEKJAVQZCGKFFC-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)[C@@H]1C ZINC001088605157 1359989357 /nfs/dbraw/zinc/98/93/57/1359989357.db2.gz JEKJAVQZCGKFFC-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)[C@@H]1C ZINC001088605157 1359989359 /nfs/dbraw/zinc/98/93/59/1359989359.db2.gz JEKJAVQZCGKFFC-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2=CCCCC2)[C@@H]1C ZINC001088692910 1360013321 /nfs/dbraw/zinc/01/33/21/1360013321.db2.gz CVAXNXOPFNISGO-HOJAQTOUSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)[C@@H]1C ZINC001088692910 1360013327 /nfs/dbraw/zinc/01/33/27/1360013327.db2.gz CVAXNXOPFNISGO-HOJAQTOUSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)[C@@H]1C ZINC001088692910 1360013330 /nfs/dbraw/zinc/01/33/30/1360013330.db2.gz CVAXNXOPFNISGO-HOJAQTOUSA-N 2 1 347.547 3.186 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCC1=CCCCC1 ZINC001088899212 1360098895 /nfs/dbraw/zinc/09/88/95/1360098895.db2.gz RVJMRDSUJKOUPJ-XLIONFOSSA-N 2 1 347.547 3.188 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)[C@@H]1C ZINC001089060808 1360152143 /nfs/dbraw/zinc/15/21/43/1360152143.db2.gz HRUFPHCIBXNGIP-YZGWKJHDSA-N 2 1 347.547 3.330 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)[C@@H]1C ZINC001089060808 1360152148 /nfs/dbraw/zinc/15/21/48/1360152148.db2.gz HRUFPHCIBXNGIP-YZGWKJHDSA-N 2 1 347.547 3.330 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)[C@@H]1C ZINC001089060808 1360152149 /nfs/dbraw/zinc/15/21/49/1360152149.db2.gz HRUFPHCIBXNGIP-YZGWKJHDSA-N 2 1 347.547 3.330 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCCCC1)C1CCC1 ZINC001089186654 1360236821 /nfs/dbraw/zinc/23/68/21/1360236821.db2.gz LTUVYKZQCMTXLW-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001089186654 1360236823 /nfs/dbraw/zinc/23/68/23/1360236823.db2.gz LTUVYKZQCMTXLW-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC1CCCCC1)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001089186654 1360236825 /nfs/dbraw/zinc/23/68/25/1360236825.db2.gz LTUVYKZQCMTXLW-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CC1=CCCCC1)[NH+](C)C ZINC001089191946 1360240751 /nfs/dbraw/zinc/24/07/51/1360240751.db2.gz JAGUTQMHRGUIRR-RBUKOAKNSA-N 2 1 335.536 3.140 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CC2(CCC2)C1)[NH+](C)C ZINC001089192255 1360240950 /nfs/dbraw/zinc/24/09/50/1360240950.db2.gz RRZCJKKMZLRVPR-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC001089227399 1360268901 /nfs/dbraw/zinc/26/89/01/1360268901.db2.gz SXVUXPJNIWKAOA-MJGOQNOKSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC001089227399 1360268904 /nfs/dbraw/zinc/26/89/04/1360268904.db2.gz SXVUXPJNIWKAOA-MJGOQNOKSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC001089227399 1360268906 /nfs/dbraw/zinc/26/89/06/1360268906.db2.gz SXVUXPJNIWKAOA-MJGOQNOKSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CC(C)(C)C2)CC(C)(C)C1 ZINC001089334877 1360347729 /nfs/dbraw/zinc/34/77/29/1360347729.db2.gz KYICBGBLSKWIGN-QZTJIDSGSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)CC(C)(C)C1 ZINC001089334877 1360347730 /nfs/dbraw/zinc/34/77/30/1360347730.db2.gz KYICBGBLSKWIGN-QZTJIDSGSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)CC(C)(C)C1 ZINC001089334877 1360347733 /nfs/dbraw/zinc/34/77/33/1360347733.db2.gz KYICBGBLSKWIGN-QZTJIDSGSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089385418 1360386926 /nfs/dbraw/zinc/38/69/26/1360386926.db2.gz IEZLVKUBZZQQMC-QGZVFWFLSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089401815 1360401094 /nfs/dbraw/zinc/40/10/94/1360401094.db2.gz XTAZSBNFTQNBSR-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC2)CC(C)(C)C1 ZINC001089401815 1360401095 /nfs/dbraw/zinc/40/10/95/1360401095.db2.gz XTAZSBNFTQNBSR-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1 ZINC001089401815 1360401097 /nfs/dbraw/zinc/40/10/97/1360401097.db2.gz XTAZSBNFTQNBSR-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089539327 1360497603 /nfs/dbraw/zinc/49/76/03/1360497603.db2.gz LBOVVNAUBRNXHI-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089639270 1360552930 /nfs/dbraw/zinc/55/29/30/1360552930.db2.gz RZQLOXZIEAJQRQ-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001089639270 1360552931 /nfs/dbraw/zinc/55/29/31/1360552931.db2.gz RZQLOXZIEAJQRQ-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001089639270 1360552933 /nfs/dbraw/zinc/55/29/33/1360552933.db2.gz RZQLOXZIEAJQRQ-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089647299 1360560118 /nfs/dbraw/zinc/56/01/18/1360560118.db2.gz UXRJWZHWYJWUPN-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001089647299 1360560121 /nfs/dbraw/zinc/56/01/21/1360560121.db2.gz UXRJWZHWYJWUPN-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001089647299 1360560130 /nfs/dbraw/zinc/56/01/30/1360560130.db2.gz UXRJWZHWYJWUPN-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089657116 1360569237 /nfs/dbraw/zinc/56/92/37/1360569237.db2.gz SHTKCDIDYWPVQR-GOSISDBHSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089663857 1360574119 /nfs/dbraw/zinc/57/41/19/1360574119.db2.gz AEHFCZFFQOGQRQ-QGZVFWFLSA-N 2 1 342.487 3.211 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001091112152 1360993891 /nfs/dbraw/zinc/99/38/91/1360993891.db2.gz JPWCVZWCSMDZIG-KVZIAJEVSA-N 2 1 349.563 3.027 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2CC([NH2+]CCC3CCCC3)C2)C1 ZINC001091198410 1361004475 /nfs/dbraw/zinc/00/44/75/1361004475.db2.gz GCIIJRJBQPLHQX-IOJLRTSASA-N 2 1 349.563 3.173 20 0 EGADMP CCCCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001184577434 1387496674 /nfs/dbraw/zinc/49/66/74/1387496674.db2.gz MNTBWIWSUMQWMQ-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001184578080 1387497388 /nfs/dbraw/zinc/49/73/88/1387497388.db2.gz QPNMLEDBQSRQQV-RJCMGOLDSA-N 2 1 349.563 3.291 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(C)C)C[C@@]2(C)C1 ZINC001092191328 1361319216 /nfs/dbraw/zinc/31/92/16/1361319216.db2.gz PXMZWMKTAQKGAB-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(C)C)C[C@@]2(C)C1 ZINC001092191328 1361319219 /nfs/dbraw/zinc/31/92/19/1361319219.db2.gz PXMZWMKTAQKGAB-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(C)C)C[C@@]2(C)C1 ZINC001092191328 1361319222 /nfs/dbraw/zinc/31/92/22/1361319222.db2.gz PXMZWMKTAQKGAB-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001324075256 1387530124 /nfs/dbraw/zinc/53/01/24/1387530124.db2.gz PVRATYIRUWLHGF-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)CCC[C@@H]12 ZINC001094416515 1361791903 /nfs/dbraw/zinc/79/19/03/1361791903.db2.gz XFXOGTVUKRDBAY-FBBABVLZSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CCC[C@@H]12 ZINC001094416515 1361791906 /nfs/dbraw/zinc/79/19/06/1361791906.db2.gz XFXOGTVUKRDBAY-FBBABVLZSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CCC[C@@H]12 ZINC001094416515 1361791908 /nfs/dbraw/zinc/79/19/08/1361791908.db2.gz XFXOGTVUKRDBAY-FBBABVLZSA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC=C(C)C)CC2 ZINC001094585420 1361871620 /nfs/dbraw/zinc/87/16/20/1361871620.db2.gz VTCKPGHIDUHPQL-SFHLNBCPSA-N 2 1 347.547 3.188 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC=C(C)C)CC2 ZINC001094585420 1361871624 /nfs/dbraw/zinc/87/16/24/1361871624.db2.gz VTCKPGHIDUHPQL-SFHLNBCPSA-N 2 1 347.547 3.188 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC=C(C)C)CC2 ZINC001094585420 1361871627 /nfs/dbraw/zinc/87/16/27/1361871627.db2.gz VTCKPGHIDUHPQL-SFHLNBCPSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC(C)(C)C)C1 ZINC001095904035 1362280082 /nfs/dbraw/zinc/28/00/82/1362280082.db2.gz XNEOPRLJWPQQJR-RDGPPVDQSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC(C)(C)C)C1 ZINC001095904035 1362280084 /nfs/dbraw/zinc/28/00/84/1362280084.db2.gz XNEOPRLJWPQQJR-RDGPPVDQSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(C)(C)C)C1 ZINC001095904035 1362280086 /nfs/dbraw/zinc/28/00/86/1362280086.db2.gz XNEOPRLJWPQQJR-RDGPPVDQSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1c(C)cccc1C ZINC001324263418 1387573850 /nfs/dbraw/zinc/57/38/50/1387573850.db2.gz LKPBHIXUZYKLJI-IBGZPJMESA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096605253 1362593991 /nfs/dbraw/zinc/59/39/91/1362593991.db2.gz GORQHNXWKIUWQJ-HOJAQTOUSA-N 2 1 343.515 3.129 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C)CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC001324340058 1387599297 /nfs/dbraw/zinc/59/92/97/1387599297.db2.gz PMOIVSQMXZTOLX-GOSISDBHSA-N 2 1 345.531 3.369 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001098464291 1363333230 /nfs/dbraw/zinc/33/32/30/1363333230.db2.gz VHBFEFPLGCOHSD-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001098464291 1363333233 /nfs/dbraw/zinc/33/32/33/1363333233.db2.gz VHBFEFPLGCOHSD-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001098464291 1363333237 /nfs/dbraw/zinc/33/32/37/1363333237.db2.gz VHBFEFPLGCOHSD-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[C@@H]([NH2+]CC)C2CCCC2)C1 ZINC001098822204 1363482659 /nfs/dbraw/zinc/48/26/59/1363482659.db2.gz XFFFNDYSGWQIEW-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC=C(C)C)C3)C1 ZINC001098990932 1363560566 /nfs/dbraw/zinc/56/05/66/1363560566.db2.gz JZENEFJJORLIPG-ZJOUEHCJSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC=C(C)C)C3)C1 ZINC001098990932 1363560569 /nfs/dbraw/zinc/56/05/69/1363560569.db2.gz JZENEFJJORLIPG-ZJOUEHCJSA-N 2 1 347.547 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC=C(C)C)C3)C1 ZINC001098990932 1363560572 /nfs/dbraw/zinc/56/05/72/1363560572.db2.gz JZENEFJJORLIPG-ZJOUEHCJSA-N 2 1 347.547 3.045 20 0 EGADMP CC1CC(C[N@H+]2CC(C)(C)CC[C@H]2CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001099106751 1363625418 /nfs/dbraw/zinc/62/54/18/1363625418.db2.gz NLKJYTLQPWRXCT-ABHNRTSZSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@H](C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099111142 1363628500 /nfs/dbraw/zinc/62/85/00/1363628500.db2.gz SEINFRSGBHRIBL-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099111142 1363628502 /nfs/dbraw/zinc/62/85/02/1363628502.db2.gz SEINFRSGBHRIBL-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001099111142 1363628504 /nfs/dbraw/zinc/62/85/04/1363628504.db2.gz SEINFRSGBHRIBL-WMZOPIPTSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001099121573 1363636008 /nfs/dbraw/zinc/63/60/08/1363636008.db2.gz LTIWJGWXNFQHAW-MGBKSAOESA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001099121573 1363636009 /nfs/dbraw/zinc/63/60/09/1363636009.db2.gz LTIWJGWXNFQHAW-MGBKSAOESA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001099121573 1363636014 /nfs/dbraw/zinc/63/60/14/1363636014.db2.gz LTIWJGWXNFQHAW-MGBKSAOESA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C\CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001099121573 1363636016 /nfs/dbraw/zinc/63/60/16/1363636016.db2.gz LTIWJGWXNFQHAW-MGBKSAOESA-N 2 1 349.563 3.434 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC(C)C ZINC001099131227 1363643614 /nfs/dbraw/zinc/64/36/14/1363643614.db2.gz YKMXTVSSAYPDNN-QGZVFWFLSA-N 2 1 339.568 3.370 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC(C)C ZINC001099131227 1363643618 /nfs/dbraw/zinc/64/36/18/1363643618.db2.gz YKMXTVSSAYPDNN-QGZVFWFLSA-N 2 1 339.568 3.370 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC(C)C ZINC001099131227 1363643621 /nfs/dbraw/zinc/64/36/21/1363643621.db2.gz YKMXTVSSAYPDNN-QGZVFWFLSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001099153367 1363659385 /nfs/dbraw/zinc/65/93/85/1363659385.db2.gz IZJWNGXLIKPXFW-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001099153367 1363659387 /nfs/dbraw/zinc/65/93/87/1363659387.db2.gz IZJWNGXLIKPXFW-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001099153367 1363659392 /nfs/dbraw/zinc/65/93/92/1363659392.db2.gz IZJWNGXLIKPXFW-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](C)C1(CC(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC2CC2)CCCC1 ZINC001099154218 1363660490 /nfs/dbraw/zinc/66/04/90/1363660490.db2.gz USZPOQJQKJLQEN-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC2(CCC2)C1 ZINC001099213322 1363694311 /nfs/dbraw/zinc/69/43/11/1363694311.db2.gz CDDGUEKOSNGSDL-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225436 1363701359 /nfs/dbraw/zinc/70/13/59/1363701359.db2.gz VFMRNLLMFVDRSM-QZTJIDSGSA-N 2 1 339.568 3.226 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CCCC2)C1 ZINC001099240518 1363709029 /nfs/dbraw/zinc/70/90/29/1363709029.db2.gz RYBBZDWCJJKHFM-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC2CCCC2)C1 ZINC001099240518 1363709031 /nfs/dbraw/zinc/70/90/31/1363709031.db2.gz RYBBZDWCJJKHFM-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC2CCCC2)C1 ZINC001099240518 1363709034 /nfs/dbraw/zinc/70/90/34/1363709034.db2.gz RYBBZDWCJJKHFM-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1=CCCCC1 ZINC001099276096 1363727152 /nfs/dbraw/zinc/72/71/52/1363727152.db2.gz NGJHGINIPCKYBR-LJQANCHMSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001099310403 1363743255 /nfs/dbraw/zinc/74/32/55/1363743255.db2.gz LCGQCCCLZSDXIF-XFHJGTJQSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H](F)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310645 1363743984 /nfs/dbraw/zinc/74/39/84/1363743984.db2.gz RTYMUMFMDMFGFL-SJORKVTESA-N 2 1 343.531 3.073 20 0 EGADMP CC(C)(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099340542 1363760919 /nfs/dbraw/zinc/76/09/19/1363760919.db2.gz UVFZHYIPMYZPSN-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099495761 1363820176 /nfs/dbraw/zinc/82/01/76/1363820176.db2.gz CKBQBUQVTHWSKQ-MANSERQUSA-N 2 1 349.563 3.076 20 0 EGADMP CCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@H+](C)CC ZINC001099495761 1363820180 /nfs/dbraw/zinc/82/01/80/1363820180.db2.gz CKBQBUQVTHWSKQ-MANSERQUSA-N 2 1 349.563 3.076 20 0 EGADMP CCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@@H+](C)CC ZINC001099495761 1363820186 /nfs/dbraw/zinc/82/01/86/1363820186.db2.gz CKBQBUQVTHWSKQ-MANSERQUSA-N 2 1 349.563 3.076 20 0 EGADMP CCCC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185235773 1387657497 /nfs/dbraw/zinc/65/74/97/1387657497.db2.gz RSPDIYKCFUOCEP-ZWKOTPCHSA-N 2 1 348.535 3.271 20 0 EGADMP CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001100405650 1364103567 /nfs/dbraw/zinc/10/35/67/1364103567.db2.gz HDQAAPDMICMGIZ-LCLVVQIFSA-N 2 1 347.547 3.234 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001100471262 1364126897 /nfs/dbraw/zinc/12/68/97/1364126897.db2.gz WLVKZRDZQQFIHV-KFYHWWINSA-N 2 1 349.563 3.338 20 0 EGADMP CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001100599316 1364183233 /nfs/dbraw/zinc/18/32/33/1364183233.db2.gz RNECFZQDXVVIJD-XBMUEBEBSA-N 2 1 337.552 3.173 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)c1ccccc1 ZINC001324545619 1387666019 /nfs/dbraw/zinc/66/60/19/1387666019.db2.gz RKFVSXPRHPFCSN-SXLOBPIMSA-N 2 1 343.515 3.155 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccccc1 ZINC001324545619 1387666021 /nfs/dbraw/zinc/66/60/21/1387666021.db2.gz RKFVSXPRHPFCSN-SXLOBPIMSA-N 2 1 343.515 3.155 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1ccccc1 ZINC001324545619 1387666025 /nfs/dbraw/zinc/66/60/25/1387666025.db2.gz RKFVSXPRHPFCSN-SXLOBPIMSA-N 2 1 343.515 3.155 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001100758009 1364248268 /nfs/dbraw/zinc/24/82/68/1364248268.db2.gz RZAFMUNSIIBZKV-AATRIKPKSA-N 2 1 346.519 3.203 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001100898590 1364320626 /nfs/dbraw/zinc/32/06/26/1364320626.db2.gz OWZXWTURETVKEE-UHFFFAOYSA-N 2 1 349.563 3.173 20 0 EGADMP CC[C@@H]([NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1)c1ccc(F)cc1 ZINC001101037162 1364383840 /nfs/dbraw/zinc/38/38/40/1364383840.db2.gz BLOGKQPOGXLQNF-XUJQIHCRSA-N 2 1 349.494 3.101 20 0 EGADMP CCCCC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001185306742 1387677479 /nfs/dbraw/zinc/67/74/79/1387677479.db2.gz MQYZFFFEEQMQEB-PKOBYXMFSA-N 2 1 348.535 3.236 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101272604 1364494317 /nfs/dbraw/zinc/49/43/17/1364494317.db2.gz UDPAJDLTVKJOIU-HACYPSOKSA-N 2 1 349.563 3.099 20 0 EGADMP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+](CCC3CCCCC3)C[C@@]2(C)C1 ZINC001101345071 1364519691 /nfs/dbraw/zinc/51/96/91/1364519691.db2.gz RVNNUONUSBFVCD-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CCCC3CCCC3)C[C@@]2(C)C1 ZINC001101443562 1364567539 /nfs/dbraw/zinc/56/75/39/1364567539.db2.gz KTEVPYXNAARIEX-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CCCC3CCCC3)C[C@@]2(C)C1 ZINC001101443562 1364567542 /nfs/dbraw/zinc/56/75/42/1364567542.db2.gz KTEVPYXNAARIEX-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CCCC3CCCC3)C[C@@]2(C)C1 ZINC001101443562 1364567544 /nfs/dbraw/zinc/56/75/44/1364567544.db2.gz KTEVPYXNAARIEX-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001101547870 1364611990 /nfs/dbraw/zinc/61/19/90/1364611990.db2.gz SYWDDICIZVATAP-QGZVFWFLSA-N 2 1 346.519 3.023 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CCC2CC2)CC1 ZINC001101551550 1364614669 /nfs/dbraw/zinc/61/46/69/1364614669.db2.gz PWOYRRQCXXRBOL-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001101574732 1364628903 /nfs/dbraw/zinc/62/89/03/1364628903.db2.gz BDWMYECTOMRAKJ-IEBWSBKVSA-N 2 1 349.563 3.005 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@](C)(NC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001324618588 1387702013 /nfs/dbraw/zinc/70/20/13/1387702013.db2.gz BJJWAWOVXHTDLR-UWJYYQICSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CC[C@](C)(NC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001324618588 1387702015 /nfs/dbraw/zinc/70/20/15/1387702015.db2.gz BJJWAWOVXHTDLR-UWJYYQICSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CC[C@](C)(NC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001324618588 1387702018 /nfs/dbraw/zinc/70/20/18/1387702018.db2.gz BJJWAWOVXHTDLR-UWJYYQICSA-N 2 1 343.515 3.121 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001102152328 1364894403 /nfs/dbraw/zinc/89/44/03/1364894403.db2.gz YWBKRQAGBBPNAS-SJLPKXTDSA-N 2 1 342.487 3.212 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C)C(C)C ZINC001102472329 1365074791 /nfs/dbraw/zinc/07/47/91/1365074791.db2.gz WEHZICOUNXMWLA-GUDVDZBRSA-N 2 1 337.552 3.003 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520764 1365096878 /nfs/dbraw/zinc/09/68/78/1365096878.db2.gz ZJGKJABJDNNGLI-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001103103669 1365381937 /nfs/dbraw/zinc/38/19/37/1365381937.db2.gz RVZSLKHKAJFAJF-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCC2)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001103103669 1365381939 /nfs/dbraw/zinc/38/19/39/1365381939.db2.gz RVZSLKHKAJFAJF-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCC2)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001103103669 1365381943 /nfs/dbraw/zinc/38/19/43/1365381943.db2.gz RVZSLKHKAJFAJF-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001103147840 1365409539 /nfs/dbraw/zinc/40/95/39/1365409539.db2.gz CCZUQUUTBJIYAL-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001103147840 1365409541 /nfs/dbraw/zinc/40/95/41/1365409541.db2.gz CCZUQUUTBJIYAL-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001103147840 1365409544 /nfs/dbraw/zinc/40/95/44/1365409544.db2.gz CCZUQUUTBJIYAL-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103156468 1365414296 /nfs/dbraw/zinc/41/42/96/1365414296.db2.gz FMPWZXVVDOKJSK-ZWHYWQQASA-N 2 1 337.552 3.147 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001103156468 1365414298 /nfs/dbraw/zinc/41/42/98/1365414298.db2.gz FMPWZXVVDOKJSK-ZWHYWQQASA-N 2 1 337.552 3.147 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001103156468 1365414300 /nfs/dbraw/zinc/41/43/00/1365414300.db2.gz FMPWZXVVDOKJSK-ZWHYWQQASA-N 2 1 337.552 3.147 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185783 1365425209 /nfs/dbraw/zinc/42/52/09/1365425209.db2.gz PZHCQMDDBDDQKN-QZTJIDSGSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(CC)CC)[C@@H](C)C1 ZINC001185547455 1387745082 /nfs/dbraw/zinc/74/50/82/1387745082.db2.gz HKJSKLXJXIDIQZ-HKUYNNGSSA-N 2 1 339.568 3.229 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398205 1365535753 /nfs/dbraw/zinc/53/57/53/1365535753.db2.gz HPLPFRYRZJBWAK-CEXWTWQISA-N 2 1 345.531 3.082 20 0 EGADMP CC[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103483803 1365590127 /nfs/dbraw/zinc/59/01/27/1365590127.db2.gz QKPAPAIIOZHXSN-KZNAEPCWSA-N 2 1 348.535 3.127 20 0 EGADMP CC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103483803 1365590130 /nfs/dbraw/zinc/59/01/30/1365590130.db2.gz QKPAPAIIOZHXSN-KZNAEPCWSA-N 2 1 348.535 3.127 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001103495429 1365597377 /nfs/dbraw/zinc/59/73/77/1365597377.db2.gz CALSPXBVUQXHCG-VAMGGRTRSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103644658 1365698105 /nfs/dbraw/zinc/69/81/05/1365698105.db2.gz KEYIXFUHFGKWPV-VMASUYHGSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001103644658 1365698107 /nfs/dbraw/zinc/69/81/07/1365698107.db2.gz KEYIXFUHFGKWPV-VMASUYHGSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103644658 1365698109 /nfs/dbraw/zinc/69/81/09/1365698109.db2.gz KEYIXFUHFGKWPV-VMASUYHGSA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001103751556 1365764099 /nfs/dbraw/zinc/76/40/99/1365764099.db2.gz GJDVEMHATFOYFY-TZFVZSICSA-N 2 1 349.563 3.293 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1CCNC(=O)CCCC[NH+]1CCCC1 ZINC001103773805 1365777442 /nfs/dbraw/zinc/77/74/42/1365777442.db2.gz RUUFKRDKEDYJPD-UYAOXDASSA-N 2 1 349.563 3.127 20 0 EGADMP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001104294195 1365978326 /nfs/dbraw/zinc/97/83/26/1365978326.db2.gz BTBHQZUCWDOYKY-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396203 1366444513 /nfs/dbraw/zinc/44/45/13/1366444513.db2.gz JLFRKZSNNXYTTL-XLIONFOSSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001105556784 1366529531 /nfs/dbraw/zinc/52/95/31/1366529531.db2.gz PIWHNPMISTYIQM-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105575437 1366540518 /nfs/dbraw/zinc/54/05/18/1366540518.db2.gz ZEAVJNMXNFYFBF-MOPGFXCFSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105575264 1366540698 /nfs/dbraw/zinc/54/06/98/1366540698.db2.gz WUDXTMJEGSXFFM-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106274578 1366640626 /nfs/dbraw/zinc/64/06/26/1366640626.db2.gz LPRLKJFRXIKSKJ-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CC1CCC(C[N@H+]2CC[C@@]3(CNC(=O)CC[NH+](C)C)CCC[C@@H]23)CC1 ZINC001107530893 1367023478 /nfs/dbraw/zinc/02/34/78/1367023478.db2.gz RFFLVCIRXATGCV-SDVBZNEUSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546406 1367037510 /nfs/dbraw/zinc/03/75/10/1367037510.db2.gz BLQXCXWOSQMJAI-YFVAEKQCSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546406 1367037515 /nfs/dbraw/zinc/03/75/15/1367037515.db2.gz BLQXCXWOSQMJAI-YFVAEKQCSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546406 1367037521 /nfs/dbraw/zinc/03/75/21/1367037521.db2.gz BLQXCXWOSQMJAI-YFVAEKQCSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107597295 1367065454 /nfs/dbraw/zinc/06/54/54/1367065454.db2.gz ZAFRWOIFXJCQPO-UYAOXDASSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001107597295 1367065460 /nfs/dbraw/zinc/06/54/60/1367065460.db2.gz ZAFRWOIFXJCQPO-UYAOXDASSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001107597295 1367065466 /nfs/dbraw/zinc/06/54/66/1367065466.db2.gz ZAFRWOIFXJCQPO-UYAOXDASSA-N 2 1 337.552 3.269 20 0 EGADMP C[NH+](C)CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2 ZINC001107614052 1367072620 /nfs/dbraw/zinc/07/26/20/1367072620.db2.gz NOCJSYSYBZTHSK-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@]34CC[NH+](C3)CCC4)CCC[C@@H]12 ZINC001107618431 1367076205 /nfs/dbraw/zinc/07/62/05/1367076205.db2.gz DWZBDIGCNQXMCU-NRSPTQNISA-N 2 1 347.547 3.023 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@]34CC[N@H+](C3)CCC4)CCC[C@@H]12 ZINC001107618431 1367076210 /nfs/dbraw/zinc/07/62/10/1367076210.db2.gz DWZBDIGCNQXMCU-NRSPTQNISA-N 2 1 347.547 3.023 20 0 EGADMP CCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@]34CC[N@@H+](C3)CCC4)CCC[C@@H]12 ZINC001107618431 1367076216 /nfs/dbraw/zinc/07/62/16/1367076216.db2.gz DWZBDIGCNQXMCU-NRSPTQNISA-N 2 1 347.547 3.023 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001109465177 1367139005 /nfs/dbraw/zinc/13/90/05/1367139005.db2.gz POZYOSQIBRUTRQ-SQNIBIBYSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001109465177 1367139010 /nfs/dbraw/zinc/13/90/10/1367139010.db2.gz POZYOSQIBRUTRQ-SQNIBIBYSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001109465177 1367139017 /nfs/dbraw/zinc/13/90/17/1367139017.db2.gz POZYOSQIBRUTRQ-SQNIBIBYSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560845 1367198480 /nfs/dbraw/zinc/19/84/80/1367198480.db2.gz URDLVOLPYTZIOC-RDGPPVDQSA-N 2 1 349.563 3.266 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109589773 1367214971 /nfs/dbraw/zinc/21/49/71/1367214971.db2.gz DLEKQDOYULPUQS-CXLYAGSJSA-N 2 1 347.547 3.329 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001109635584 1367255196 /nfs/dbraw/zinc/25/51/96/1367255196.db2.gz JNDSDZTZMQKPHI-DIYYGHKSSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001109635584 1367255197 /nfs/dbraw/zinc/25/51/97/1367255197.db2.gz JNDSDZTZMQKPHI-DIYYGHKSSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001109635584 1367255204 /nfs/dbraw/zinc/25/52/04/1367255204.db2.gz JNDSDZTZMQKPHI-DIYYGHKSSA-N 2 1 347.547 3.186 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCCC2)CC1 ZINC001109650147 1367263585 /nfs/dbraw/zinc/26/35/85/1367263585.db2.gz VMGWBIBKKUALOL-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H](c1ccccc1Cl)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672424 1367274787 /nfs/dbraw/zinc/27/47/87/1367274787.db2.gz DVUZJMRSKZKEMV-KNCCTNLNSA-N 2 1 349.906 3.074 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001109714759 1367291314 /nfs/dbraw/zinc/29/13/14/1367291314.db2.gz VJRDJWHQJJKHMR-XWSJACJDSA-N 2 1 337.552 3.265 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1)CC(C)(C)C ZINC001109729146 1367294292 /nfs/dbraw/zinc/29/42/92/1367294292.db2.gz WNOJSNZUWIJJPK-QYZOEREBSA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1)CC(C)(C)C ZINC001109729146 1367294297 /nfs/dbraw/zinc/29/42/97/1367294297.db2.gz WNOJSNZUWIJJPK-QYZOEREBSA-N 2 1 349.563 3.266 20 0 EGADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1)CC(C)(C)C ZINC001109729146 1367294298 /nfs/dbraw/zinc/29/42/98/1367294298.db2.gz WNOJSNZUWIJJPK-QYZOEREBSA-N 2 1 349.563 3.266 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001109796813 1367327650 /nfs/dbraw/zinc/32/76/50/1367327650.db2.gz GOKZPCBWIXIVLW-PNCFCEPOSA-N 2 1 347.547 3.329 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1 ZINC001109968944 1367434932 /nfs/dbraw/zinc/43/49/32/1367434932.db2.gz JPWWERYSIYTGQY-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001110007010 1367455522 /nfs/dbraw/zinc/45/55/22/1367455522.db2.gz DIQRGEPBKMXRSI-SQNIBIBYSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191543784 1367525467 /nfs/dbraw/zinc/52/54/67/1367525467.db2.gz SKOPKXHGOGHLPB-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@H+](C)C(C)C)C3)c1 ZINC001110157488 1367529570 /nfs/dbraw/zinc/52/95/70/1367529570.db2.gz REXOAOIRQGQISN-RNQOJCNYSA-N 2 1 343.515 3.118 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)C3)c1 ZINC001110157488 1367529572 /nfs/dbraw/zinc/52/95/72/1367529572.db2.gz REXOAOIRQGQISN-RNQOJCNYSA-N 2 1 343.515 3.118 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)C3)c1 ZINC001110157488 1367529575 /nfs/dbraw/zinc/52/95/75/1367529575.db2.gz REXOAOIRQGQISN-RNQOJCNYSA-N 2 1 343.515 3.118 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161409 1367534416 /nfs/dbraw/zinc/53/44/16/1367534416.db2.gz DJBSZMXBFCDJGD-FUMNGEBKSA-N 2 1 349.563 3.409 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161775 1367534436 /nfs/dbraw/zinc/53/44/36/1367534436.db2.gz SJZDWBYJWHBFHQ-FUMNGEBKSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)[NH+]1CCCC1 ZINC001110161904 1367534720 /nfs/dbraw/zinc/53/47/20/1367534720.db2.gz XXMCUMNRTJBGET-FYQPLNBISA-N 2 1 347.547 3.019 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001108717153 1367554010 /nfs/dbraw/zinc/55/40/10/1367554010.db2.gz BQGLMMWDCAPXSB-DFPOMVNJSA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CCC)C2 ZINC001108803678 1367606213 /nfs/dbraw/zinc/60/62/13/1367606213.db2.gz FVQZEIMZUCZSGX-COLAKMGYSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH+](C)CCCC3CCC3)C2)C1 ZINC001191922824 1367639466 /nfs/dbraw/zinc/63/94/66/1367639466.db2.gz OPQACRJPRZEZMG-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCCC3CCC3)C2)C1 ZINC001191922824 1367639469 /nfs/dbraw/zinc/63/94/69/1367639469.db2.gz OPQACRJPRZEZMG-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCCC3CCC3)C2)C1 ZINC001191922824 1367639473 /nfs/dbraw/zinc/63/94/73/1367639473.db2.gz OPQACRJPRZEZMG-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191989331 1367658470 /nfs/dbraw/zinc/65/84/70/1367658470.db2.gz TVNWVZCCOPUBBA-KRWDZBQOSA-N 2 1 335.492 3.068 20 0 EGADMP C[NH+](CC1CC2(CCC2)C1)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192407290 1367774600 /nfs/dbraw/zinc/77/46/00/1367774600.db2.gz TZZBWFBWIFBLMX-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1)CC(C)(C)C ZINC001192407290 1367774607 /nfs/dbraw/zinc/77/46/07/1367774607.db2.gz TZZBWFBWIFBLMX-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)CC(C)(C)C ZINC001192407290 1367774615 /nfs/dbraw/zinc/77/46/15/1367774615.db2.gz TZZBWFBWIFBLMX-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192406564 1367774977 /nfs/dbraw/zinc/77/49/77/1367774977.db2.gz JWXMPFUJWOYBLU-QGZVFWFLSA-N 2 1 339.568 3.323 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1)CC(C)(C)C ZINC001192406564 1367774982 /nfs/dbraw/zinc/77/49/82/1367774982.db2.gz JWXMPFUJWOYBLU-QGZVFWFLSA-N 2 1 339.568 3.323 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1)CC(C)(C)C ZINC001192406564 1367774985 /nfs/dbraw/zinc/77/49/85/1367774985.db2.gz JWXMPFUJWOYBLU-QGZVFWFLSA-N 2 1 339.568 3.323 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110550406 1367826601 /nfs/dbraw/zinc/82/66/01/1367826601.db2.gz OZYRVYPNMSWUOD-AKHDSKFASA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110550406 1367826613 /nfs/dbraw/zinc/82/66/13/1367826613.db2.gz OZYRVYPNMSWUOD-AKHDSKFASA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001110550406 1367826621 /nfs/dbraw/zinc/82/66/21/1367826621.db2.gz OZYRVYPNMSWUOD-AKHDSKFASA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC2CCC2)C1 ZINC001192671601 1367846063 /nfs/dbraw/zinc/84/60/63/1367846063.db2.gz OEJKIQLPHBQAFO-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1 ZINC001192671601 1367846064 /nfs/dbraw/zinc/84/60/64/1367846064.db2.gz OEJKIQLPHBQAFO-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001192671601 1367846066 /nfs/dbraw/zinc/84/60/66/1367846066.db2.gz OEJKIQLPHBQAFO-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192846814 1367886274 /nfs/dbraw/zinc/88/62/74/1367886274.db2.gz PSIOXUCJVQRSCO-ROUKRRSUSA-N 2 1 343.515 3.251 20 0 EGADMP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192866118 1367891827 /nfs/dbraw/zinc/89/18/27/1367891827.db2.gz IMCDHIHSLDPYJW-LIXSYLKWSA-N 2 1 346.519 3.251 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192866118 1367891830 /nfs/dbraw/zinc/89/18/30/1367891830.db2.gz IMCDHIHSLDPYJW-LIXSYLKWSA-N 2 1 346.519 3.251 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)C[C@H](C)CC)C1 ZINC001192904484 1367900254 /nfs/dbraw/zinc/90/02/54/1367900254.db2.gz AGGKDQRLQSHFTA-MSOLQXFVSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)C[C@H](C)CC)C1 ZINC001192904484 1367900257 /nfs/dbraw/zinc/90/02/57/1367900257.db2.gz AGGKDQRLQSHFTA-MSOLQXFVSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)C[C@H](C)CC)C1 ZINC001192904484 1367900258 /nfs/dbraw/zinc/90/02/58/1367900258.db2.gz AGGKDQRLQSHFTA-MSOLQXFVSA-N 2 1 325.541 3.077 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110661594 1367903605 /nfs/dbraw/zinc/90/36/05/1367903605.db2.gz ZMAQAPRFWAKRRK-DTGBZTBESA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110661594 1367903609 /nfs/dbraw/zinc/90/36/09/1367903609.db2.gz ZMAQAPRFWAKRRK-DTGBZTBESA-N 2 1 347.547 3.327 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001110661594 1367903612 /nfs/dbraw/zinc/90/36/12/1367903612.db2.gz ZMAQAPRFWAKRRK-DTGBZTBESA-N 2 1 347.547 3.327 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1)C1CCC1 ZINC001110673907 1367913762 /nfs/dbraw/zinc/91/37/62/1367913762.db2.gz YMPLRBBJCLQUPC-AQNXPRMDSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1)C1CCC1 ZINC001110673907 1367913764 /nfs/dbraw/zinc/91/37/64/1367913764.db2.gz YMPLRBBJCLQUPC-AQNXPRMDSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1)C1CCC1 ZINC001110673907 1367913767 /nfs/dbraw/zinc/91/37/67/1367913767.db2.gz YMPLRBBJCLQUPC-AQNXPRMDSA-N 2 1 347.547 3.163 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110718741 1367947390 /nfs/dbraw/zinc/94/73/90/1367947390.db2.gz BFMREAUOYHLBDP-ZJPYXAASSA-N 2 1 335.536 3.019 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC(C)(C)C ZINC001110718741 1367947393 /nfs/dbraw/zinc/94/73/93/1367947393.db2.gz BFMREAUOYHLBDP-ZJPYXAASSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001110718741 1367947397 /nfs/dbraw/zinc/94/73/97/1367947397.db2.gz BFMREAUOYHLBDP-ZJPYXAASSA-N 2 1 335.536 3.019 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001110718741 1367947400 /nfs/dbraw/zinc/94/74/00/1367947400.db2.gz BFMREAUOYHLBDP-ZJPYXAASSA-N 2 1 335.536 3.019 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@H]([NH+](C)CCC(C)C)C1)c1ccccc1 ZINC001193424776 1368026798 /nfs/dbraw/zinc/02/67/98/1368026798.db2.gz PANSZXRUITVANR-PMACEKPBSA-N 2 1 345.531 3.258 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCC(C)C)C1)c1ccccc1 ZINC001193424776 1368026802 /nfs/dbraw/zinc/02/68/02/1368026802.db2.gz PANSZXRUITVANR-PMACEKPBSA-N 2 1 345.531 3.258 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCC(C)C)C1)c1ccccc1 ZINC001193424776 1368026808 /nfs/dbraw/zinc/02/68/08/1368026808.db2.gz PANSZXRUITVANR-PMACEKPBSA-N 2 1 345.531 3.258 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110885986 1368059337 /nfs/dbraw/zinc/05/93/37/1368059337.db2.gz GVCJDYPOUCPJHP-MKXGPGLRSA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C)[NH+](CC)CC ZINC001111018157 1368143690 /nfs/dbraw/zinc/14/36/90/1368143690.db2.gz LKGYZOMYKIWPKK-YRXWBPOGSA-N 2 1 337.552 3.265 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001111097173 1368158574 /nfs/dbraw/zinc/15/85/74/1368158574.db2.gz NUHSNZQGSKPUIW-MKXGPGLRSA-N 2 1 335.536 3.163 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001111169522 1368180102 /nfs/dbraw/zinc/18/01/02/1368180102.db2.gz XHSBQDMMWYXJHR-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226883 1368212162 /nfs/dbraw/zinc/21/21/62/1368212162.db2.gz HPHHCZZCKMRZJQ-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001194245753 1368216183 /nfs/dbraw/zinc/21/61/83/1368216183.db2.gz DQJABJSGNIAPFD-SFHVURJKSA-N 2 1 345.531 3.331 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194245732 1368216601 /nfs/dbraw/zinc/21/66/01/1368216601.db2.gz CYSMEJFUNNHNDQ-IBGZPJMESA-N 2 1 345.531 3.331 20 0 EGADMP CCCc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001194284809 1368224042 /nfs/dbraw/zinc/22/40/42/1368224042.db2.gz OFDIZCYEKSPFGW-HXUWFJFHSA-N 2 1 345.531 3.012 20 0 EGADMP CCCc1ccc(C[NH+](C)[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001194284809 1368224045 /nfs/dbraw/zinc/22/40/45/1368224045.db2.gz OFDIZCYEKSPFGW-HXUWFJFHSA-N 2 1 345.531 3.012 20 0 EGADMP CCCc1ccc(C[NH+](C)[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001194284809 1368224047 /nfs/dbraw/zinc/22/40/47/1368224047.db2.gz OFDIZCYEKSPFGW-HXUWFJFHSA-N 2 1 345.531 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194296229 1368225498 /nfs/dbraw/zinc/22/54/98/1368225498.db2.gz YRACARQBAZDBCJ-MOPGFXCFSA-N 2 1 331.504 3.011 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194296229 1368225503 /nfs/dbraw/zinc/22/55/03/1368225503.db2.gz YRACARQBAZDBCJ-MOPGFXCFSA-N 2 1 331.504 3.011 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194296229 1368225508 /nfs/dbraw/zinc/22/55/08/1368225508.db2.gz YRACARQBAZDBCJ-MOPGFXCFSA-N 2 1 331.504 3.011 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298608 1368258400 /nfs/dbraw/zinc/25/84/00/1368258400.db2.gz HFSKLVZQNHPMPM-RTUSNTFBSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454032 1368309647 /nfs/dbraw/zinc/30/96/47/1368309647.db2.gz IHMJQZWTVZMIHM-NMLBUPMWSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001111466446 1368312292 /nfs/dbraw/zinc/31/22/92/1368312292.db2.gz WCHCWDUWGNQOFN-QRVBRYPASA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001111466446 1368312294 /nfs/dbraw/zinc/31/22/94/1368312294.db2.gz WCHCWDUWGNQOFN-QRVBRYPASA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001111466446 1368312298 /nfs/dbraw/zinc/31/22/98/1368312298.db2.gz WCHCWDUWGNQOFN-QRVBRYPASA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111467715 1368313657 /nfs/dbraw/zinc/31/36/57/1368313657.db2.gz SRJSFJJWLMULSU-ZRNYENFQSA-N 2 1 349.563 3.265 20 0 EGADMP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001111500647 1368322008 /nfs/dbraw/zinc/32/20/08/1368322008.db2.gz OVUOXBUPDOMVCF-AQNXPRMDSA-N 2 1 343.515 3.030 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)Cc1ccccc1)C2 ZINC001111500647 1368322015 /nfs/dbraw/zinc/32/20/15/1368322015.db2.gz OVUOXBUPDOMVCF-AQNXPRMDSA-N 2 1 343.515 3.030 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)C2 ZINC001111500647 1368322019 /nfs/dbraw/zinc/32/20/19/1368322019.db2.gz OVUOXBUPDOMVCF-AQNXPRMDSA-N 2 1 343.515 3.030 20 0 EGADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C2 ZINC001111500647 1368322025 /nfs/dbraw/zinc/32/20/25/1368322025.db2.gz OVUOXBUPDOMVCF-AQNXPRMDSA-N 2 1 343.515 3.030 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1=CCCCC1)C2 ZINC001111858328 1368509201 /nfs/dbraw/zinc/50/92/01/1368509201.db2.gz ZUGXMSGWKLKMEL-FPOVZHCZSA-N 2 1 347.547 3.189 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001111873054 1368519965 /nfs/dbraw/zinc/51/99/65/1368519965.db2.gz HLOUXHQDJOORPQ-OGBOZSPHSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001111873054 1368519967 /nfs/dbraw/zinc/51/99/67/1368519967.db2.gz HLOUXHQDJOORPQ-OGBOZSPHSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001111873054 1368519969 /nfs/dbraw/zinc/51/99/69/1368519969.db2.gz HLOUXHQDJOORPQ-OGBOZSPHSA-N 2 1 349.563 3.291 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC1CCCC1)C2 ZINC001111908833 1368549393 /nfs/dbraw/zinc/54/93/93/1368549393.db2.gz TVYDPNNZUMNZHG-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](CC)CC)C1 ZINC001111908860 1368550024 /nfs/dbraw/zinc/55/00/24/1368550024.db2.gz VNHCNUSNMXIRFV-CXFSXTNSSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196163666 1368559693 /nfs/dbraw/zinc/55/96/93/1368559693.db2.gz RJPAPBFNGGZEAO-XQQSMPNESA-N 2 1 347.547 3.284 20 0 EGADMP CC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001196163666 1368559696 /nfs/dbraw/zinc/55/96/96/1368559696.db2.gz RJPAPBFNGGZEAO-XQQSMPNESA-N 2 1 347.547 3.284 20 0 EGADMP CC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001196163666 1368559700 /nfs/dbraw/zinc/55/97/00/1368559700.db2.gz RJPAPBFNGGZEAO-XQQSMPNESA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)CC[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196641735 1368654108 /nfs/dbraw/zinc/65/41/08/1368654108.db2.gz NPOSXGBEGRFPGM-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)c1ccc(C(F)(F)F)cc1 ZINC001197005115 1368729784 /nfs/dbraw/zinc/72/97/84/1368729784.db2.gz YEVRZNBPTCHPQP-SJORKVTESA-N 2 1 344.421 3.329 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)c1ccc(C(F)(F)F)cc1 ZINC001197005115 1368729788 /nfs/dbraw/zinc/72/97/88/1368729788.db2.gz YEVRZNBPTCHPQP-SJORKVTESA-N 2 1 344.421 3.329 20 0 EGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)c1ccc(C(F)(F)F)cc1 ZINC001197005115 1368729790 /nfs/dbraw/zinc/72/97/90/1368729790.db2.gz YEVRZNBPTCHPQP-SJORKVTESA-N 2 1 344.421 3.329 20 0 EGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)c1ccc(C(F)(F)F)cc1 ZINC001197005115 1368729795 /nfs/dbraw/zinc/72/97/95/1368729795.db2.gz YEVRZNBPTCHPQP-SJORKVTESA-N 2 1 344.421 3.329 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001197142296 1368753256 /nfs/dbraw/zinc/75/32/56/1368753256.db2.gz WMNQQMMXSYHVCE-VYENPZKTSA-N 2 1 337.552 3.388 20 0 EGADMP CC[C@H](C(=O)N1CCC[N@H+]([C@H](C)c2ccccc2)CC1)[NH+](CC)CC ZINC001197141593 1368753683 /nfs/dbraw/zinc/75/36/83/1368753683.db2.gz JUADPFRHWAYDMR-UYAOXDASSA-N 2 1 345.531 3.402 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001197659191 1368866563 /nfs/dbraw/zinc/86/65/63/1368866563.db2.gz KMDMFWFXSALJHS-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[NH+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001197691360 1368873486 /nfs/dbraw/zinc/87/34/86/1368873486.db2.gz HBDAZUJIFXDVKW-MOPGFXCFSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[N@H+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001197691360 1368873490 /nfs/dbraw/zinc/87/34/90/1368873490.db2.gz HBDAZUJIFXDVKW-MOPGFXCFSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[N@@H+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001197691360 1368873493 /nfs/dbraw/zinc/87/34/93/1368873493.db2.gz HBDAZUJIFXDVKW-MOPGFXCFSA-N 2 1 337.552 3.079 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCCN(C(=O)CC[NH+](C)CC)CC1 ZINC001197707864 1368877132 /nfs/dbraw/zinc/87/71/32/1368877132.db2.gz POBRCIKNHNZQCH-LJQANCHMSA-N 2 1 349.494 3.153 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001197707864 1368877139 /nfs/dbraw/zinc/87/71/39/1368877139.db2.gz POBRCIKNHNZQCH-LJQANCHMSA-N 2 1 349.494 3.153 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001197707864 1368877145 /nfs/dbraw/zinc/87/71/45/1368877145.db2.gz POBRCIKNHNZQCH-LJQANCHMSA-N 2 1 349.494 3.153 20 0 EGADMP CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001112493082 1368889746 /nfs/dbraw/zinc/88/97/46/1368889746.db2.gz NVBNGAZGUIQVPO-RXVVDRJESA-N 2 1 349.563 3.269 20 0 EGADMP CC1CCC(C[N@H+]2CCCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC001197886435 1368920028 /nfs/dbraw/zinc/92/00/28/1368920028.db2.gz VIKOJCKJLLIQRZ-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP CC[N@H+]1CCC[C@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC001186604753 1387983663 /nfs/dbraw/zinc/98/36/63/1387983663.db2.gz HTWIJVOUMAZNDM-SFHVURJKSA-N 2 1 337.552 3.079 20 0 EGADMP Cc1nc2ccccn2c1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001200095910 1369315054 /nfs/dbraw/zinc/31/50/54/1369315054.db2.gz PBBMXARQFZSSGH-FQEVSTJZSA-N 2 1 348.494 3.297 20 0 EGADMP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c[nH]1 ZINC001200534080 1369386004 /nfs/dbraw/zinc/38/60/04/1369386004.db2.gz MUMNKRIKKZQALN-OAHLLOKOSA-N 2 1 341.455 3.117 20 0 EGADMP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001200577608 1369393171 /nfs/dbraw/zinc/39/31/71/1369393171.db2.gz BGWHBLMCQRCQSV-ZWKOTPCHSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001113402989 1369400768 /nfs/dbraw/zinc/40/07/68/1369400768.db2.gz NQMYCIHXLQCJLS-GHOSXJJBSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001113402989 1369400772 /nfs/dbraw/zinc/40/07/72/1369400772.db2.gz NQMYCIHXLQCJLS-GHOSXJJBSA-N 2 1 335.536 3.140 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC([NH2+]CC(CC)CC)CC1 ZINC001200643611 1369404842 /nfs/dbraw/zinc/40/48/42/1369404842.db2.gz DZQJHUVEUOATRV-INIZCTEOSA-N 2 1 348.535 3.413 20 0 EGADMP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201053434 1369473114 /nfs/dbraw/zinc/47/31/14/1369473114.db2.gz OYJURCVIXMYXLH-YADGQWAMSA-N 2 1 347.547 3.330 20 0 EGADMP COCC[N@H+]1CCO[C@@H]2C[NH+](C[C@H](C)CCC=C(C)C)CC[C@@H]2C1 ZINC001201487133 1369554724 /nfs/dbraw/zinc/55/47/24/1369554724.db2.gz OOFOIGRPQYMNQA-VAMGGRTRSA-N 2 1 338.536 3.038 20 0 EGADMP COCC[NH+]1CCO[C@@H]2C[N@H+](C[C@H](C)CCC=C(C)C)CC[C@@H]2C1 ZINC001201487133 1369554729 /nfs/dbraw/zinc/55/47/29/1369554729.db2.gz OOFOIGRPQYMNQA-VAMGGRTRSA-N 2 1 338.536 3.038 20 0 EGADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](C[C@H](C)CCC=C(C)C)CC[C@@H]2C1 ZINC001201487133 1369554735 /nfs/dbraw/zinc/55/47/35/1369554735.db2.gz OOFOIGRPQYMNQA-VAMGGRTRSA-N 2 1 338.536 3.038 20 0 EGADMP CCCCCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001113682731 1369563922 /nfs/dbraw/zinc/56/39/22/1369563922.db2.gz PUYPXRIXTLZOQQ-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001202077154 1369682435 /nfs/dbraw/zinc/68/24/35/1369682435.db2.gz DCANYIBMNKEGDC-RTBURBONSA-N 2 1 331.504 3.041 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001202077154 1369682439 /nfs/dbraw/zinc/68/24/39/1369682439.db2.gz DCANYIBMNKEGDC-RTBURBONSA-N 2 1 331.504 3.041 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001202077154 1369682442 /nfs/dbraw/zinc/68/24/42/1369682442.db2.gz DCANYIBMNKEGDC-RTBURBONSA-N 2 1 331.504 3.041 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](CCCC(F)(F)F)CC1 ZINC001202442681 1369773632 /nfs/dbraw/zinc/77/36/32/1369773632.db2.gz MQFXTKFADFHJSY-UHFFFAOYSA-N 2 1 337.474 3.459 20 0 EGADMP Cc1ccc(C[NH2+]C2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)cc1 ZINC001202526591 1369799489 /nfs/dbraw/zinc/79/94/89/1369799489.db2.gz LQLFTKICUHIEHV-UHFFFAOYSA-N 2 1 345.531 3.054 20 0 EGADMP C[C@H]([NH2+]C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1)c1ccccc1 ZINC001202539066 1369802883 /nfs/dbraw/zinc/80/28/83/1369802883.db2.gz IQWYLKDOWIZYJA-KRWDZBQOSA-N 2 1 345.531 3.306 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001114287076 1369852750 /nfs/dbraw/zinc/85/27/50/1369852750.db2.gz FDCUGBVFJCFYHK-LAXBAZCNSA-N 2 1 347.547 3.044 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001202771316 1369885562 /nfs/dbraw/zinc/88/55/62/1369885562.db2.gz AXIDXAYNQHOJAZ-FQEVSTJZSA-N 2 1 349.563 3.410 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001114403121 1369933714 /nfs/dbraw/zinc/93/37/14/1369933714.db2.gz NGMWCCOFBOMEPQ-LQKFOWNNSA-N 2 1 347.547 3.042 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2C(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001114403121 1369933717 /nfs/dbraw/zinc/93/37/17/1369933717.db2.gz NGMWCCOFBOMEPQ-LQKFOWNNSA-N 2 1 347.547 3.042 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2C(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001114403121 1369933718 /nfs/dbraw/zinc/93/37/18/1369933718.db2.gz NGMWCCOFBOMEPQ-LQKFOWNNSA-N 2 1 347.547 3.042 20 0 EGADMP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203230668 1370032864 /nfs/dbraw/zinc/03/28/64/1370032864.db2.gz PHRAKTNTTVBLNW-ZWKOTPCHSA-N 2 1 335.536 3.066 20 0 EGADMP CCC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203233060 1370034102 /nfs/dbraw/zinc/03/41/02/1370034102.db2.gz ZRGKUPRWSKOHNT-MSOLQXFVSA-N 2 1 335.536 3.068 20 0 EGADMP Cn1cccc1C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2[NH+](C)Cc1ccccn1 ZINC001203260827 1370046880 /nfs/dbraw/zinc/04/68/80/1370046880.db2.gz GLGLAZISNMRNEG-JRGCBEDISA-N 2 1 338.499 3.153 20 0 EGADMP Cn1cccc1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2[NH+](C)Cc1ccccn1 ZINC001203260827 1370046884 /nfs/dbraw/zinc/04/68/84/1370046884.db2.gz GLGLAZISNMRNEG-JRGCBEDISA-N 2 1 338.499 3.153 20 0 EGADMP Cn1cccc1C[NH+]1C[C@H]2[C@@H](C1)CCC[C@H]2[N@H+](C)Cc1ccccn1 ZINC001203260827 1370046886 /nfs/dbraw/zinc/04/68/86/1370046886.db2.gz GLGLAZISNMRNEG-JRGCBEDISA-N 2 1 338.499 3.153 20 0 EGADMP Cn1cccc1C[NH+]1C[C@H]2[C@@H](C1)CCC[C@H]2[N@@H+](C)Cc1ccccn1 ZINC001203260827 1370046890 /nfs/dbraw/zinc/04/68/90/1370046890.db2.gz GLGLAZISNMRNEG-JRGCBEDISA-N 2 1 338.499 3.153 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203425625 1370119985 /nfs/dbraw/zinc/11/99/85/1370119985.db2.gz DBHQIZDQBNSHPM-BTFXCVNISA-N 2 1 349.563 3.338 20 0 EGADMP COc1cccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c1OC ZINC001203445527 1370130118 /nfs/dbraw/zinc/13/01/18/1370130118.db2.gz GZWYGDIVAOXIQF-UHFFFAOYSA-N 2 1 341.455 3.146 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001203459427 1370133868 /nfs/dbraw/zinc/13/38/68/1370133868.db2.gz DWPTXJDFDKROMR-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203577000 1370176749 /nfs/dbraw/zinc/17/67/49/1370176749.db2.gz MNLKDJRPKFEYHF-BTFXCVNISA-N 2 1 335.536 3.092 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C12CCC2 ZINC001203579373 1370177254 /nfs/dbraw/zinc/17/72/54/1370177254.db2.gz ZKPRJFNCFGCXNL-MOPGFXCFSA-N 2 1 349.563 3.316 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCCCCC)C[C@H]21 ZINC001114981760 1370190809 /nfs/dbraw/zinc/19/08/09/1370190809.db2.gz ATGMQTKHCZOSCD-RUYXUALKSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCCCC)C[C@H]21 ZINC001114981760 1370190811 /nfs/dbraw/zinc/19/08/11/1370190811.db2.gz ATGMQTKHCZOSCD-RUYXUALKSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCCCC)C[C@H]21 ZINC001114981760 1370190813 /nfs/dbraw/zinc/19/08/13/1370190813.db2.gz ATGMQTKHCZOSCD-RUYXUALKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001114988921 1370194353 /nfs/dbraw/zinc/19/43/53/1370194353.db2.gz NCCDZRDCNREISL-KXOOMDDFSA-N 2 1 349.563 3.146 20 0 EGADMP Cc1ccccc1CN1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001203704174 1370228083 /nfs/dbraw/zinc/22/80/83/1370228083.db2.gz GHKJEQRLCXJAIT-UHFFFAOYSA-N 2 1 338.499 3.359 20 0 EGADMP Cc1ccccc1CN1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001203704174 1370228086 /nfs/dbraw/zinc/22/80/86/1370228086.db2.gz GHKJEQRLCXJAIT-UHFFFAOYSA-N 2 1 338.499 3.359 20 0 EGADMP Cc1ccccc1C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001203704174 1370228089 /nfs/dbraw/zinc/22/80/89/1370228089.db2.gz GHKJEQRLCXJAIT-UHFFFAOYSA-N 2 1 338.499 3.359 20 0 EGADMP Cc1ccccc1C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001203704174 1370228094 /nfs/dbraw/zinc/22/80/94/1370228094.db2.gz GHKJEQRLCXJAIT-UHFFFAOYSA-N 2 1 338.499 3.359 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203731418 1370239280 /nfs/dbraw/zinc/23/92/80/1370239280.db2.gz OMQMUHQYEGSYIZ-SJORKVTESA-N 2 1 346.519 3.035 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)c1 ZINC001203932321 1370319318 /nfs/dbraw/zinc/31/93/18/1370319318.db2.gz BQCJRCYYVCECFI-GOSISDBHSA-N 2 1 345.531 3.285 20 0 EGADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cccs3)CC[C@@H]21 ZINC001204012488 1370346665 /nfs/dbraw/zinc/34/66/65/1370346665.db2.gz ALTSHFOSCIAWJO-AOIWGVFYSA-N 2 1 344.528 3.318 20 0 EGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cccs3)CC[C@@H]21 ZINC001204012488 1370346671 /nfs/dbraw/zinc/34/66/71/1370346671.db2.gz ALTSHFOSCIAWJO-AOIWGVFYSA-N 2 1 344.528 3.318 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3cccs3)CC[C@@H]21 ZINC001204012488 1370346675 /nfs/dbraw/zinc/34/66/75/1370346675.db2.gz ALTSHFOSCIAWJO-AOIWGVFYSA-N 2 1 344.528 3.318 20 0 EGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3cccs3)CC[C@@H]21 ZINC001204012488 1370346680 /nfs/dbraw/zinc/34/66/80/1370346680.db2.gz ALTSHFOSCIAWJO-AOIWGVFYSA-N 2 1 344.528 3.318 20 0 EGADMP CCC(CC)C[NH2+]C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001204076731 1370368563 /nfs/dbraw/zinc/36/85/63/1370368563.db2.gz SJAIJCMGJPSVFZ-UHFFFAOYSA-N 2 1 345.531 3.135 20 0 EGADMP CCC(CC)C[NH2+]C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001204076731 1370368565 /nfs/dbraw/zinc/36/85/65/1370368565.db2.gz SJAIJCMGJPSVFZ-UHFFFAOYSA-N 2 1 345.531 3.135 20 0 EGADMP c1csc(C[N@H+]2CCOC3(CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC001204074724 1370368929 /nfs/dbraw/zinc/36/89/29/1370368929.db2.gz QVBRLIAIJURTBS-UHFFFAOYSA-N 2 1 343.496 3.010 20 0 EGADMP COc1cc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc(OC)c1O ZINC001204125151 1370383818 /nfs/dbraw/zinc/38/38/18/1370383818.db2.gz JXDNBUMPTHXGIY-IRXDYDNUSA-N 2 1 348.487 3.248 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc(OC)c1O ZINC001204125151 1370383826 /nfs/dbraw/zinc/38/38/26/1370383826.db2.gz JXDNBUMPTHXGIY-IRXDYDNUSA-N 2 1 348.487 3.248 20 0 EGADMP COc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cc(OC)c1O ZINC001204125151 1370383829 /nfs/dbraw/zinc/38/38/29/1370383829.db2.gz JXDNBUMPTHXGIY-IRXDYDNUSA-N 2 1 348.487 3.248 20 0 EGADMP COc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cc(OC)c1O ZINC001204125151 1370383835 /nfs/dbraw/zinc/38/38/35/1370383835.db2.gz JXDNBUMPTHXGIY-IRXDYDNUSA-N 2 1 348.487 3.248 20 0 EGADMP Cc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001204172947 1370398279 /nfs/dbraw/zinc/39/82/79/1370398279.db2.gz PARDBWNOKQGBKZ-UHFFFAOYSA-N 2 1 338.499 3.236 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC1 ZINC001204180946 1370401978 /nfs/dbraw/zinc/40/19/78/1370401978.db2.gz XDNTUEBUCVLTFC-JOCHJYFZSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC001204180946 1370401980 /nfs/dbraw/zinc/40/19/80/1370401980.db2.gz XDNTUEBUCVLTFC-JOCHJYFZSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001204180946 1370401982 /nfs/dbraw/zinc/40/19/82/1370401982.db2.gz XDNTUEBUCVLTFC-JOCHJYFZSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CC1 ZINC001204180946 1370401985 /nfs/dbraw/zinc/40/19/85/1370401985.db2.gz XDNTUEBUCVLTFC-JOCHJYFZSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CC1 ZINC001204180946 1370401988 /nfs/dbraw/zinc/40/19/88/1370401988.db2.gz XDNTUEBUCVLTFC-JOCHJYFZSA-N 2 1 341.543 3.316 20 0 EGADMP CCOc1cc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)ccc1OC ZINC001204193394 1370403913 /nfs/dbraw/zinc/40/39/13/1370403913.db2.gz KYIMVXTXFOFWET-UHFFFAOYSA-N 2 1 341.455 3.120 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204272095 1370428304 /nfs/dbraw/zinc/42/83/04/1370428304.db2.gz VCLBYIZYWFLVBT-UHFFFAOYSA-N 3 1 335.536 3.181 20 0 EGADMP CCC[N@H+](CCCN(C)C)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204272095 1370428306 /nfs/dbraw/zinc/42/83/06/1370428306.db2.gz VCLBYIZYWFLVBT-UHFFFAOYSA-N 2 1 335.536 3.181 20 0 EGADMP CCC[N@@H+](CCCN(C)C)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204272095 1370428307 /nfs/dbraw/zinc/42/83/07/1370428307.db2.gz VCLBYIZYWFLVBT-UHFFFAOYSA-N 2 1 335.536 3.181 20 0 EGADMP CCCN(CCC[NH+](C)C)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204272095 1370428309 /nfs/dbraw/zinc/42/83/09/1370428309.db2.gz VCLBYIZYWFLVBT-UHFFFAOYSA-N 2 1 335.536 3.181 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@H](C(F)F)C2)cc1 ZINC001204268670 1370428540 /nfs/dbraw/zinc/42/85/40/1370428540.db2.gz MQFVUDLEKMDDJM-INIZCTEOSA-N 2 1 326.431 3.494 20 0 EGADMP Cc1cc(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCCCC2)cs1 ZINC001115450663 1370459226 /nfs/dbraw/zinc/45/92/26/1370459226.db2.gz JADROVSBDBRFTL-QGZVFWFLSA-N 2 1 349.544 3.059 20 0 EGADMP Cc1c(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cnn1C ZINC001204569273 1370518657 /nfs/dbraw/zinc/51/86/57/1370518657.db2.gz PCKXKBYGAXGVAI-LJQANCHMSA-N 2 1 342.487 3.198 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115534888 1370531856 /nfs/dbraw/zinc/53/18/56/1370531856.db2.gz AAFMGNJBDQNLDO-SFHVURJKSA-N 2 1 335.536 3.234 20 0 EGADMP CCCCC[NH2+]C1(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115537138 1370534038 /nfs/dbraw/zinc/53/40/38/1370534038.db2.gz YAJGYAGCEIFNQF-OALUTQOASA-N 2 1 349.563 3.460 20 0 EGADMP F[C@@H]1CC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)CCC1(F)F ZINC001204848584 1370589368 /nfs/dbraw/zinc/58/93/68/1370589368.db2.gz OBGAAXHPHGFUTK-MRXNPFEDSA-N 2 1 337.389 3.314 20 0 EGADMP CC[N@@H+](C[C@@H]1[C@@H](C)CNCC1(F)F)[C@@H](C)Cc1ccc(OC)cc1 ZINC001204870660 1370593542 /nfs/dbraw/zinc/59/35/42/1370593542.db2.gz ZGEKHLPDGXSMFD-RLFYNMQTSA-N 2 1 340.458 3.439 20 0 EGADMP CC[N@H+](C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F)[C@@H](C)Cc1ccc(OC)cc1 ZINC001204870660 1370593549 /nfs/dbraw/zinc/59/35/49/1370593549.db2.gz ZGEKHLPDGXSMFD-RLFYNMQTSA-N 2 1 340.458 3.439 20 0 EGADMP CC[N@@H+](C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F)[C@@H](C)Cc1ccc(OC)cc1 ZINC001204870660 1370593554 /nfs/dbraw/zinc/59/35/54/1370593554.db2.gz ZGEKHLPDGXSMFD-RLFYNMQTSA-N 2 1 340.458 3.439 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](CCCc2ccccc2Br)C1 ZINC001205001917 1370624788 /nfs/dbraw/zinc/62/47/88/1370624788.db2.gz XMIKJKYMXGWYFH-CQSZACIVSA-N 2 1 325.294 3.313 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCc2ccccc2Br)C1 ZINC001205001917 1370624792 /nfs/dbraw/zinc/62/47/92/1370624792.db2.gz XMIKJKYMXGWYFH-CQSZACIVSA-N 2 1 325.294 3.313 20 0 EGADMP C[N@@H+](CCC(=O)NCC1([NH2+]CCF)CCCCC1)C1CCCCC1 ZINC001115648151 1370636561 /nfs/dbraw/zinc/63/65/61/1370636561.db2.gz CIOZMFPAXYRUOR-UHFFFAOYSA-N 2 1 341.515 3.019 20 0 EGADMP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205150660 1370663889 /nfs/dbraw/zinc/66/38/89/1370663889.db2.gz GYVTYMJSNQIUMH-HNAYVOBHSA-N 2 1 334.467 3.336 20 0 EGADMP CCCCCCOc1ccccc1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205210105 1370681327 /nfs/dbraw/zinc/68/13/27/1370681327.db2.gz MRFUQXHNSTXFTC-HXUWFJFHSA-N 2 1 334.504 3.321 20 0 EGADMP CCOC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273218 1370702598 /nfs/dbraw/zinc/70/25/98/1370702598.db2.gz ICHKJFCWGBRULO-IBGZPJMESA-N 2 1 329.444 3.048 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205285358 1370706373 /nfs/dbraw/zinc/70/63/73/1370706373.db2.gz WGYMHWRWOLKQEQ-WGLWSTOQSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]CCCC3CCC3)CCCCC2)C1 ZINC001115729955 1370712120 /nfs/dbraw/zinc/71/21/20/1370712120.db2.gz ZGBOIWCCOMJRTH-SFHVURJKSA-N 2 1 349.563 3.317 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001115757833 1370740677 /nfs/dbraw/zinc/74/06/77/1370740677.db2.gz DKIVQIWVPDATMJ-UHFFFAOYSA-N 2 1 346.519 3.215 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCCC1 ZINC001115768947 1370753385 /nfs/dbraw/zinc/75/33/85/1370753385.db2.gz OHMZWPQXYLBEME-MOPGFXCFSA-N 2 1 347.547 3.378 20 0 EGADMP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461435 1370762478 /nfs/dbraw/zinc/76/24/78/1370762478.db2.gz IYVVVJWFJBEMRI-QGZVFWFLSA-N 2 1 346.519 3.025 20 0 EGADMP CCn1cc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cn1 ZINC001205527890 1370782375 /nfs/dbraw/zinc/78/23/75/1370782375.db2.gz CRJUJBXQONVHBT-LJQANCHMSA-N 2 1 342.487 3.373 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(F)ccc2Br)CC1 ZINC001205545189 1370787300 /nfs/dbraw/zinc/78/73/00/1370787300.db2.gz AGPXSSUCKUIDIG-AWEZNQCLSA-N 2 1 333.220 3.241 20 0 EGADMP CCC/C=C/CC[NH2+]CC1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001205562085 1370792319 /nfs/dbraw/zinc/79/23/19/1370792319.db2.gz PKHBSKWCVSDCHC-MDZDMXLPSA-N 2 1 337.552 3.291 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(OC3CCCCC3)nc2)CC1 ZINC001205569978 1370794439 /nfs/dbraw/zinc/79/44/39/1370794439.db2.gz BJVCILXRJKVDFN-IBGZPJMESA-N 2 1 335.467 3.446 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2nccnc2-c2ccc(Cl)cc2)CC1 ZINC001205570558 1370795322 /nfs/dbraw/zinc/79/53/22/1370795322.db2.gz LRGQPQVXXBNNMI-GOSISDBHSA-N 2 1 348.853 3.450 20 0 EGADMP CCOC(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205591021 1370802984 /nfs/dbraw/zinc/80/29/84/1370802984.db2.gz BJYFWWYBZYDEER-QGZVFWFLSA-N 2 1 342.842 3.170 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205592272 1370803625 /nfs/dbraw/zinc/80/36/25/1370803625.db2.gz RKSKXDAESIUMOG-FQEVSTJZSA-N 2 1 343.446 3.410 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1Br ZINC001205592549 1370803737 /nfs/dbraw/zinc/80/37/37/1370803737.db2.gz VYSMHIAVPJMNFI-OAHLLOKOSA-N 2 1 345.256 3.111 20 0 EGADMP COc1ccc(-c2cc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)no2)cc1 ZINC001205602624 1370807491 /nfs/dbraw/zinc/80/74/91/1370807491.db2.gz KPBYZUYXHJSIPO-GDBMZVCRSA-N 2 1 329.444 3.157 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(Br)c2)CC[C@@H]1C[NH3+] ZINC001205615807 1370811453 /nfs/dbraw/zinc/81/14/53/1370811453.db2.gz BEWRIPVXNSTIQC-DGCLKSJQSA-N 2 1 329.257 3.395 20 0 EGADMP COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1OC ZINC001205618610 1370812552 /nfs/dbraw/zinc/81/25/52/1370812552.db2.gz XQROGNJFRAYPAT-CHWSQXEVSA-N 2 1 326.868 3.164 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc1OC(F)F ZINC001205618609 1370813376 /nfs/dbraw/zinc/81/33/76/1370813376.db2.gz XPEAHBXPGDVXLP-TZMCWYRMSA-N 2 1 328.403 3.103 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c(C(F)(F)F)nc3sccn23)CC[C@H]1C[NH3+] ZINC001205625219 1370816171 /nfs/dbraw/zinc/81/61/71/1370816171.db2.gz ACCYLEQZFQFSTP-QWRGUYRKSA-N 2 1 346.422 3.221 20 0 EGADMP C[C@H]1CC[N@H+](Cc2nc(Cl)ccc2Br)CC[C@H]1C[NH3+] ZINC001205638286 1370823253 /nfs/dbraw/zinc/82/32/53/1370823253.db2.gz LYKAMMPWEDBZLO-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2nc(Cl)ccc2Br)CC[C@H]1C[NH3+] ZINC001205638286 1370823259 /nfs/dbraw/zinc/82/32/59/1370823259.db2.gz LYKAMMPWEDBZLO-QWRGUYRKSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205662641 1370833898 /nfs/dbraw/zinc/83/38/98/1370833898.db2.gz CWZXLBJSSCFZJQ-DYESRHJHSA-N 2 1 332.532 3.338 20 0 EGADMP CCCCCCOc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205673020 1370837479 /nfs/dbraw/zinc/83/74/79/1370837479.db2.gz NUEQEZQGNCMMOS-FQEVSTJZSA-N 2 1 334.504 3.321 20 0 EGADMP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205672771 1370837851 /nfs/dbraw/zinc/83/78/51/1370837851.db2.gz LMZCPMLRYRWIKL-HXUWFJFHSA-N 2 1 329.488 3.141 20 0 EGADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccccc3Cl)nc2)C1 ZINC001205725596 1370852437 /nfs/dbraw/zinc/85/24/37/1370852437.db2.gz IZUOXDXDLKUTEP-LJQANCHMSA-N 2 1 345.874 3.078 20 0 EGADMP COc1ccc2sc(C[N@@H+]3CCC(F)(F)[C@H](C[NH3+])C3)cc2c1 ZINC001205788456 1370870509 /nfs/dbraw/zinc/87/05/09/1370870509.db2.gz NGAWVFPZCXNLCY-GFCCVEGCSA-N 2 1 326.412 3.326 20 0 EGADMP COc1ccc2sc(C[N@H+]3CCC(F)(F)[C@H](C[NH3+])C3)cc2c1 ZINC001205788456 1370870517 /nfs/dbraw/zinc/87/05/17/1370870517.db2.gz NGAWVFPZCXNLCY-GFCCVEGCSA-N 2 1 326.412 3.326 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1c[nH]c2c1cccc2Br ZINC001205917450 1370910054 /nfs/dbraw/zinc/91/00/54/1370910054.db2.gz YSMDMBGSWUKZGC-NEPJUHHUSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2c1cccc2Br ZINC001205917450 1370910057 /nfs/dbraw/zinc/91/00/57/1370910057.db2.gz YSMDMBGSWUKZGC-NEPJUHHUSA-N 2 1 336.277 3.490 20 0 EGADMP COc1ccc(Br)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205981779 1370929076 /nfs/dbraw/zinc/92/90/76/1370929076.db2.gz HCHDSAQSYLQJKX-OLZOCXBDSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CCC[C@@H]1C[NH3+] ZINC001206003909 1370935613 /nfs/dbraw/zinc/93/56/13/1370935613.db2.gz NKHQIKFQIDSDCG-VXGBXAGGSA-N 2 1 340.393 3.389 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2NC(=O)C(C)(C)C)CCC[C@@H]1C[NH3+] ZINC001206026294 1370942541 /nfs/dbraw/zinc/94/25/41/1370942541.db2.gz RHVWLWOMNXTATO-JKSUJKDBSA-N 2 1 331.504 3.478 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c2c(OC)cccc12 ZINC001206166637 1370977616 /nfs/dbraw/zinc/97/76/16/1370977616.db2.gz TWHRKWRHVCPJNQ-HOTGVXAUSA-N 2 1 332.419 3.118 20 0 EGADMP [NH3+][C@H]1CC[N@H+](Cc2nccnc2-c2ccc(Cl)cc2)CC[C@@H]1F ZINC001206187390 1370987086 /nfs/dbraw/zinc/98/70/86/1370987086.db2.gz SWUFTNCNZZZJDI-GJZGRUSLSA-N 2 1 334.826 3.058 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](Cc2nccnc2-c2ccc(Cl)cc2)CC[C@@H]1F ZINC001206187390 1370987092 /nfs/dbraw/zinc/98/70/92/1370987092.db2.gz SWUFTNCNZZZJDI-GJZGRUSLSA-N 2 1 334.826 3.058 20 0 EGADMP CCC/C=C/CC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001206275471 1371009734 /nfs/dbraw/zinc/00/97/34/1371009734.db2.gz SYCDDLBNIUBBTM-DUMMIQTOSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001206292892 1371014351 /nfs/dbraw/zinc/01/43/51/1371014351.db2.gz FKVVGFRUYFEKKG-NHCUHLMSSA-N 3 1 329.532 3.350 20 0 EGADMP C[C@@]1(C[NH3+])CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001206292892 1371014358 /nfs/dbraw/zinc/01/43/58/1371014358.db2.gz FKVVGFRUYFEKKG-NHCUHLMSSA-N 3 1 329.532 3.350 20 0 EGADMP C[C@@]1(C[NH3+])CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001206292892 1371014362 /nfs/dbraw/zinc/01/43/62/1371014362.db2.gz FKVVGFRUYFEKKG-NHCUHLMSSA-N 3 1 329.532 3.350 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001206292892 1371014365 /nfs/dbraw/zinc/01/43/65/1371014365.db2.gz FKVVGFRUYFEKKG-NHCUHLMSSA-N 2 1 329.532 3.350 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001206292892 1371014369 /nfs/dbraw/zinc/01/43/69/1371014369.db2.gz FKVVGFRUYFEKKG-NHCUHLMSSA-N 2 1 329.532 3.350 20 0 EGADMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1OC ZINC001206305428 1371016603 /nfs/dbraw/zinc/01/66/03/1371016603.db2.gz ZETNLXFTJNHVMQ-QGZVFWFLSA-N 2 1 326.868 3.308 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c(Cl)cncc2Br)CC1 ZINC001206324370 1371022452 /nfs/dbraw/zinc/02/24/52/1371022452.db2.gz AIVCMJRMOALBIP-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(Cl)cncc2Br)CC1 ZINC001206324370 1371022453 /nfs/dbraw/zinc/02/24/53/1371022453.db2.gz AIVCMJRMOALBIP-CQSZACIVSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2Cl)CC1 ZINC001206326502 1371023367 /nfs/dbraw/zinc/02/33/67/1371023367.db2.gz OGOBAPIDKBJLHG-GOSISDBHSA-N 2 1 332.879 3.477 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-c2cnn(CC[NH+](C)C)c2)nc1 ZINC001206333317 1371025692 /nfs/dbraw/zinc/02/56/92/1371025692.db2.gz RZFOWPQAPYUFTR-HXUWFJFHSA-N 2 1 341.503 3.444 20 0 EGADMP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206549225 1371089699 /nfs/dbraw/zinc/08/96/99/1371089699.db2.gz WJGLZVXOFWRLBW-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206548493 1371090390 /nfs/dbraw/zinc/09/03/90/1371090390.db2.gz PYKBMZUENRYYIF-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP COc1nc(OC)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC001206606616 1371107525 /nfs/dbraw/zinc/10/75/25/1371107525.db2.gz RMJIYSSKMKREMO-CQSZACIVSA-N 2 1 341.883 3.105 20 0 EGADMP COc1nc(OC)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC001206606616 1371107528 /nfs/dbraw/zinc/10/75/28/1371107528.db2.gz RMJIYSSKMKREMO-CQSZACIVSA-N 2 1 341.883 3.105 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c(F)c1 ZINC001117942828 1371110428 /nfs/dbraw/zinc/11/04/28/1371110428.db2.gz GSNZNLMJDKHLJF-MRXNPFEDSA-N 2 1 347.478 3.480 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(OCc3ccccc3)ccn2)C1 ZINC001206633040 1371114007 /nfs/dbraw/zinc/11/40/07/1371114007.db2.gz RUUICENVTBGOQY-GOSISDBHSA-N 2 1 325.456 3.221 20 0 EGADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(OCc3ccccc3)ccn2)C1 ZINC001206633040 1371114010 /nfs/dbraw/zinc/11/40/10/1371114010.db2.gz RUUICENVTBGOQY-GOSISDBHSA-N 2 1 325.456 3.221 20 0 EGADMP COc1cc(OC)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c2ccccc12 ZINC001206646255 1371117915 /nfs/dbraw/zinc/11/79/15/1371117915.db2.gz ACIUKWMXLGHNMN-OAHLLOKOSA-N 2 1 328.456 3.418 20 0 EGADMP [NH3+]C[C@H]1CCCCN(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)C1 ZINC001206646896 1371118491 /nfs/dbraw/zinc/11/84/91/1371118491.db2.gz DXTWXLGIUYYESS-LLVKDONJSA-N 2 1 342.365 3.022 20 0 EGADMP CCOc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1OCC ZINC001118243544 1371152979 /nfs/dbraw/zinc/15/29/79/1371152979.db2.gz VXTDILYRBHCHFS-UHFFFAOYSA-N 2 1 332.488 3.450 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206811455 1371176624 /nfs/dbraw/zinc/17/66/24/1371176624.db2.gz UURCMALTOUDBGW-HUUCEWRRSA-N 2 1 343.471 3.212 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206811455 1371176628 /nfs/dbraw/zinc/17/66/28/1371176628.db2.gz UURCMALTOUDBGW-HUUCEWRRSA-N 2 1 343.471 3.212 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001206954922 1371244853 /nfs/dbraw/zinc/24/48/53/1371244853.db2.gz DHTDOXQSPCRHGO-MOZIWPGPSA-N 2 1 335.536 3.042 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001206954922 1371244856 /nfs/dbraw/zinc/24/48/56/1371244856.db2.gz DHTDOXQSPCRHGO-MOZIWPGPSA-N 2 1 335.536 3.042 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001206954922 1371244859 /nfs/dbraw/zinc/24/48/59/1371244859.db2.gz DHTDOXQSPCRHGO-MOZIWPGPSA-N 2 1 335.536 3.042 20 0 EGADMP c1nc(CN2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)n2ccccc12 ZINC001207050177 1371277259 /nfs/dbraw/zinc/27/72/59/1371277259.db2.gz LPOPZFFRLAALPD-BGYRXZFFSA-N 2 1 332.451 3.183 20 0 EGADMP COc1ccccc1N1CCC([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001119238026 1371288211 /nfs/dbraw/zinc/28/82/11/1371288211.db2.gz VUQQIYMQFWHPLH-MSOLQXFVSA-N 2 1 331.504 3.126 20 0 EGADMP O=c1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc[nH]1 ZINC001207126354 1371302905 /nfs/dbraw/zinc/30/29/05/1371302905.db2.gz POVWNYSLHOPZON-VQTJNVASSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc[nH]1 ZINC001207126354 1371302910 /nfs/dbraw/zinc/30/29/10/1371302910.db2.gz POVWNYSLHOPZON-VQTJNVASSA-N 2 1 337.467 3.131 20 0 EGADMP O=c1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc[nH]1 ZINC001207126354 1371302912 /nfs/dbraw/zinc/30/29/12/1371302912.db2.gz POVWNYSLHOPZON-VQTJNVASSA-N 2 1 337.467 3.131 20 0 EGADMP C[NH+](C)CC(C)(C)CN1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001207280719 1371348432 /nfs/dbraw/zinc/34/84/32/1371348432.db2.gz ZRDYQRQWINIEDR-UXHICEINSA-N 2 1 329.532 3.171 20 0 EGADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001207288256 1371351589 /nfs/dbraw/zinc/35/15/89/1371351589.db2.gz LWACTPWAVOXNGQ-UHFFFAOYSA-N 2 1 341.540 3.296 20 0 EGADMP Brc1ccc(CCC[N@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001207323526 1371361837 /nfs/dbraw/zinc/36/18/37/1371361837.db2.gz VEBAPYJRGPMVPJ-UHFFFAOYSA-N 2 1 334.261 3.137 20 0 EGADMP Brc1ccc(CCC[N@@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001207323526 1371361838 /nfs/dbraw/zinc/36/18/38/1371361838.db2.gz VEBAPYJRGPMVPJ-UHFFFAOYSA-N 2 1 334.261 3.137 20 0 EGADMP CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001207399837 1371384921 /nfs/dbraw/zinc/38/49/21/1371384921.db2.gz VTVYEQSKVJOZQL-FQEVSTJZSA-N 2 1 346.515 3.418 20 0 EGADMP CCOC(=O)C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001207414810 1371388395 /nfs/dbraw/zinc/38/83/95/1371388395.db2.gz AQYVFUKWAAHSTN-UHFFFAOYSA-N 2 1 344.499 3.236 20 0 EGADMP Cn1ccnc1C[C@H]1CCC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC001119691119 1371388990 /nfs/dbraw/zinc/38/89/90/1371388990.db2.gz GJQURCXVXNGVGJ-XEVCZEQESA-N 2 1 339.483 3.422 20 0 EGADMP CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)[N@H+]1CC1CC[NH2+]CC1 ZINC001207441711 1371396817 /nfs/dbraw/zinc/39/68/17/1371396817.db2.gz LGNSQVNVPPFDQI-OALUTQOASA-N 2 1 330.472 3.145 20 0 EGADMP COc1ccc(CC[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001207474419 1371406409 /nfs/dbraw/zinc/40/64/09/1371406409.db2.gz NHETYCMJHNFMMQ-NRFANRHFSA-N 2 1 346.515 3.061 20 0 EGADMP COc1ccc(CC[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001207474419 1371406411 /nfs/dbraw/zinc/40/64/11/1371406411.db2.gz NHETYCMJHNFMMQ-NRFANRHFSA-N 2 1 346.515 3.061 20 0 EGADMP COc1ccc(CC[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)cc1 ZINC001207474419 1371406413 /nfs/dbraw/zinc/40/64/13/1371406413.db2.gz NHETYCMJHNFMMQ-NRFANRHFSA-N 2 1 346.515 3.061 20 0 EGADMP COc1ccc(CC[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)cc1 ZINC001207474419 1371406415 /nfs/dbraw/zinc/40/64/15/1371406415.db2.gz NHETYCMJHNFMMQ-NRFANRHFSA-N 2 1 346.515 3.061 20 0 EGADMP C[N@@H+](CCC1CC[NH+](C)CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001207486468 1371411066 /nfs/dbraw/zinc/41/10/66/1371411066.db2.gz JBTVWZXCRUBRMB-NRFANRHFSA-N 3 1 329.532 3.172 20 0 EGADMP C[NH+](CCC1CC[NH+](C)CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001207486468 1371411072 /nfs/dbraw/zinc/41/10/72/1371411072.db2.gz JBTVWZXCRUBRMB-NRFANRHFSA-N 3 1 329.532 3.172 20 0 EGADMP C[NH+](CCC1CC[NH+](C)CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001207486468 1371411076 /nfs/dbraw/zinc/41/10/76/1371411076.db2.gz JBTVWZXCRUBRMB-NRFANRHFSA-N 2 1 329.532 3.172 20 0 EGADMP C[N@H+](CCC1CC[NH+](C)CC1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001207486468 1371411081 /nfs/dbraw/zinc/41/10/81/1371411081.db2.gz JBTVWZXCRUBRMB-NRFANRHFSA-N 2 1 329.532 3.172 20 0 EGADMP C[N@@H+](CCC1CC[NH+](C)CC1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001207486468 1371411084 /nfs/dbraw/zinc/41/10/84/1371411084.db2.gz JBTVWZXCRUBRMB-NRFANRHFSA-N 2 1 329.532 3.172 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001207487194 1371411143 /nfs/dbraw/zinc/41/11/43/1371411143.db2.gz RVSIZBJEZVQXMD-OAQYLSRUSA-N 2 1 329.532 3.315 20 0 EGADMP Fc1ccccc1CC[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001207496204 1371414388 /nfs/dbraw/zinc/41/43/88/1371414388.db2.gz CUARHPFICIEIID-IAGOWNOFSA-N 2 1 330.472 3.494 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]C[C@H](C)CC(C)C)CCCCC1 ZINC001120140623 1371494362 /nfs/dbraw/zinc/49/43/62/1371494362.db2.gz GQJAVXGHGDBIGA-QGZVFWFLSA-N 2 1 348.535 3.282 20 0 EGADMP CC[NH+](CC)C1CC[NH+](CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001207765749 1371497906 /nfs/dbraw/zinc/49/79/06/1371497906.db2.gz MOHCIZZNFCTDSN-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCCCC1 ZINC001120208035 1371504894 /nfs/dbraw/zinc/50/48/94/1371504894.db2.gz RMCOSHIXONTVAX-CEXWTWQISA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ccccc2F)CCCCC1 ZINC001120208276 1371504998 /nfs/dbraw/zinc/50/49/98/1371504998.db2.gz XYLMJUSDDKCQEZ-UHFFFAOYSA-N 2 1 349.494 3.075 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCCC1 ZINC001120207860 1371505295 /nfs/dbraw/zinc/50/52/95/1371505295.db2.gz JGQXCVPWTQTLBG-SFHVURJKSA-N 2 1 335.536 3.070 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C[C@@H](C)c1ccccc1)C2 ZINC001207904325 1371533262 /nfs/dbraw/zinc/53/32/62/1371533262.db2.gz CPKCATFLABDOFA-QIJUGHKUSA-N 2 1 342.527 3.470 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C[C@@H](C)c1ccccc1)C2 ZINC001207904325 1371533267 /nfs/dbraw/zinc/53/32/67/1371533267.db2.gz CPKCATFLABDOFA-QIJUGHKUSA-N 2 1 342.527 3.470 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C[C@@H](C)c1ccccc1)C2 ZINC001207904325 1371533272 /nfs/dbraw/zinc/53/32/72/1371533272.db2.gz CPKCATFLABDOFA-QIJUGHKUSA-N 2 1 342.527 3.470 20 0 EGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@H](C)c1ccccc1)C2 ZINC001207905544 1371534099 /nfs/dbraw/zinc/53/40/99/1371534099.db2.gz JRLZBAYRYBFCMM-KRWDZBQOSA-N 2 1 326.488 3.343 20 0 EGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C[C@H](C)c1ccccc1)C2 ZINC001207905544 1371534101 /nfs/dbraw/zinc/53/41/01/1371534101.db2.gz JRLZBAYRYBFCMM-KRWDZBQOSA-N 2 1 326.488 3.343 20 0 EGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@H](C)c1ccccc1)C2 ZINC001207905544 1371534105 /nfs/dbraw/zinc/53/41/05/1371534105.db2.gz JRLZBAYRYBFCMM-KRWDZBQOSA-N 2 1 326.488 3.343 20 0 EGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@H](C)c1ccccc1)C2 ZINC001207905544 1371534108 /nfs/dbraw/zinc/53/41/08/1371534108.db2.gz JRLZBAYRYBFCMM-KRWDZBQOSA-N 2 1 326.488 3.343 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CCC2CC2)C1 ZINC001120403201 1371563734 /nfs/dbraw/zinc/56/37/34/1371563734.db2.gz WISDPPQDFGZIIX-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CCC2CC2)C1 ZINC001120403201 1371563735 /nfs/dbraw/zinc/56/37/35/1371563735.db2.gz WISDPPQDFGZIIX-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CCC2CC2)C1 ZINC001120403201 1371563741 /nfs/dbraw/zinc/56/37/41/1371563741.db2.gz WISDPPQDFGZIIX-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC2=CCCCC2)C1 ZINC001120430560 1371573732 /nfs/dbraw/zinc/57/37/32/1371573732.db2.gz LTILGNSZZCWZRG-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC2CCC2)C1 ZINC001120450554 1371581358 /nfs/dbraw/zinc/58/13/58/1371581358.db2.gz WMURKAHAKGEHOD-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001208109962 1371597490 /nfs/dbraw/zinc/59/74/90/1371597490.db2.gz QIUHKZYLHXPDFR-RTWAWAEBSA-N 2 1 341.543 3.315 20 0 EGADMP C[NH+]1CCC(C)(CN2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001208109962 1371597495 /nfs/dbraw/zinc/59/74/95/1371597495.db2.gz QIUHKZYLHXPDFR-RTWAWAEBSA-N 2 1 341.543 3.315 20 0 EGADMP C[NH+]1CCC(C)(CN2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001208109962 1371597502 /nfs/dbraw/zinc/59/75/02/1371597502.db2.gz QIUHKZYLHXPDFR-RTWAWAEBSA-N 2 1 341.543 3.315 20 0 EGADMP C[C@@H]1C[N@@H+](CC2(C[NH+](C)C)CCCC2)CCC[C@@]1(O)C(F)(F)F ZINC001208185226 1371627105 /nfs/dbraw/zinc/62/71/05/1371627105.db2.gz XQABHMMBPPLNRJ-ZBFHGGJFSA-N 2 1 336.442 3.134 20 0 EGADMP CCCc1noc([C@H]2CCC[N@@H+](CC3(C[NH+](C)C)CCCC3)C2)n1 ZINC001208186806 1371627237 /nfs/dbraw/zinc/62/72/37/1371627237.db2.gz YYRUQCLJPIEZEW-INIZCTEOSA-N 2 1 334.508 3.324 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001208334350 1371722256 /nfs/dbraw/zinc/72/22/56/1371722256.db2.gz IOOSOMUBIKQDMM-KKSLTYSGSA-N 2 1 344.503 3.088 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001208448033 1371769968 /nfs/dbraw/zinc/76/99/68/1371769968.db2.gz UCDMQDNJSIYXDP-HZPDHXFCSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1CCN(C[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001208590034 1371830317 /nfs/dbraw/zinc/83/03/17/1371830317.db2.gz BPEZWZVZDTZJBE-LEWJYISDSA-N 2 1 329.532 3.456 20 0 EGADMP CC(C)[NH+](C)[C@H]1CCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001208590034 1371830319 /nfs/dbraw/zinc/83/03/19/1371830319.db2.gz BPEZWZVZDTZJBE-LEWJYISDSA-N 2 1 329.532 3.456 20 0 EGADMP CC(C)[NH+](C)[C@H]1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208590034 1371830323 /nfs/dbraw/zinc/83/03/23/1371830323.db2.gz BPEZWZVZDTZJBE-LEWJYISDSA-N 2 1 329.532 3.456 20 0 EGADMP C[NH+]1CC2(C1)CCN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)CC2 ZINC001208592345 1371831329 /nfs/dbraw/zinc/83/13/29/1371831329.db2.gz SWNUKOJLTGIRER-FQEVSTJZSA-N 2 1 327.516 3.069 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)CC1 ZINC001208599776 1371836398 /nfs/dbraw/zinc/83/63/98/1371836398.db2.gz BEFZPBYTUMJXKU-CALCHBBNSA-N 2 1 336.483 3.248 20 0 EGADMP CC[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208617899 1371842519 /nfs/dbraw/zinc/84/25/19/1371842519.db2.gz QLLDOXMPVLXPRW-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP CC[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208617899 1371842523 /nfs/dbraw/zinc/84/25/23/1371842523.db2.gz QLLDOXMPVLXPRW-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208617899 1371842527 /nfs/dbraw/zinc/84/25/27/1371842527.db2.gz QLLDOXMPVLXPRW-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208617899 1371842530 /nfs/dbraw/zinc/84/25/30/1371842530.db2.gz QLLDOXMPVLXPRW-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP COC(=O)[C@H]1CC[C@H](C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001208630441 1371846789 /nfs/dbraw/zinc/84/67/89/1371846789.db2.gz ZRGWQLGXRBYVJI-CADBVGFASA-N 2 1 336.520 3.305 20 0 EGADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001208630441 1371846796 /nfs/dbraw/zinc/84/67/96/1371846796.db2.gz ZRGWQLGXRBYVJI-CADBVGFASA-N 2 1 336.520 3.305 20 0 EGADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001208630441 1371846799 /nfs/dbraw/zinc/84/67/99/1371846799.db2.gz ZRGWQLGXRBYVJI-CADBVGFASA-N 2 1 336.520 3.305 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@H]2COC3(CCCCC3)O2)CC1 ZINC001208636106 1371848749 /nfs/dbraw/zinc/84/87/49/1371848749.db2.gz UYARIIWZFGXRID-KRWDZBQOSA-N 2 1 345.487 3.005 20 0 EGADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](CCC4CC4)CC3)C2)c1 ZINC001208681411 1371859668 /nfs/dbraw/zinc/85/96/68/1371859668.db2.gz UXBZCIKKYOBEIX-UHFFFAOYSA-N 2 1 344.499 3.162 20 0 EGADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](CCC4CC4)CC3)C2)c1 ZINC001208681411 1371859676 /nfs/dbraw/zinc/85/96/76/1371859676.db2.gz UXBZCIKKYOBEIX-UHFFFAOYSA-N 2 1 344.499 3.162 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCCC(C)(C)C)C3)CC[N@H+]1C ZINC001121133571 1371862074 /nfs/dbraw/zinc/86/20/74/1371862074.db2.gz CWWDEJAWNMEEFH-HRTVXQQGSA-N 2 1 349.563 3.170 20 0 EGADMP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001121134026 1371863163 /nfs/dbraw/zinc/86/31/63/1371863163.db2.gz OZAIHSVQJKPQSE-JSMKSKOISA-N 2 1 349.563 3.170 20 0 EGADMP CC/C=C\CC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001208727877 1371875608 /nfs/dbraw/zinc/87/56/08/1371875608.db2.gz UCHVDWPEECRCOL-BBIZLLLXSA-N 2 1 343.515 3.493 20 0 EGADMP Clc1ccc(CC[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)cc1 ZINC001208740754 1371880206 /nfs/dbraw/zinc/88/02/06/1371880206.db2.gz UOBDAAYSDLMDFX-KDURUIRLSA-N 2 1 341.886 3.341 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208758399 1371885350 /nfs/dbraw/zinc/88/53/50/1371885350.db2.gz JHXYUXOPHJLRNI-GOSISDBHSA-N 2 1 337.552 3.412 20 0 EGADMP c1ccc(C[N@H+]2CCOC3(CC[NH+](C[C@H]4CCC=CO4)CC3)C2)cc1 ZINC001208885543 1371931502 /nfs/dbraw/zinc/93/15/02/1371931502.db2.gz UGXQFKCFCFYUDM-HXUWFJFHSA-N 2 1 342.483 3.046 20 0 EGADMP OCC[C@@H]1CC12CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208930429 1371949582 /nfs/dbraw/zinc/94/95/82/1371949582.db2.gz BDOAMVITXDWGHB-LEWJYISDSA-N 2 1 342.527 3.383 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC001208934354 1371951652 /nfs/dbraw/zinc/95/16/52/1371951652.db2.gz FMUURYLZOMONMC-VXKWHMMOSA-N 2 1 341.543 3.459 20 0 EGADMP F[C@H]1CSC2(C[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208939759 1371954586 /nfs/dbraw/zinc/95/45/86/1371954586.db2.gz IFPOMPPYFKMQHO-ZWKOTPCHSA-N 2 1 334.504 3.428 20 0 EGADMP F[C@H]1CSC2(C[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208939759 1371954595 /nfs/dbraw/zinc/95/45/95/1371954595.db2.gz IFPOMPPYFKMQHO-ZWKOTPCHSA-N 2 1 334.504 3.428 20 0 EGADMP C[N@H+]1CCN(C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001208945833 1371959196 /nfs/dbraw/zinc/95/91/96/1371959196.db2.gz DUSRJGQLDJFUKE-JTHBVZDNSA-N 2 1 349.522 3.497 20 0 EGADMP C[NH+]1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001208945833 1371959199 /nfs/dbraw/zinc/95/91/99/1371959199.db2.gz DUSRJGQLDJFUKE-JTHBVZDNSA-N 2 1 349.522 3.497 20 0 EGADMP C[NH+]1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001208945833 1371959217 /nfs/dbraw/zinc/95/92/17/1371959217.db2.gz DUSRJGQLDJFUKE-JTHBVZDNSA-N 2 1 349.522 3.497 20 0 EGADMP C[N@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC2(C1)OCCO2 ZINC001208945022 1371959642 /nfs/dbraw/zinc/95/96/42/1371959642.db2.gz QVVZFFMDKVKKHC-PMACEKPBSA-N 2 1 344.499 3.126 20 0 EGADMP C[N@@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC2(C1)OCCO2 ZINC001208945022 1371959644 /nfs/dbraw/zinc/95/96/44/1371959644.db2.gz QVVZFFMDKVKKHC-PMACEKPBSA-N 2 1 344.499 3.126 20 0 EGADMP C[NH+](C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC2(C1)OCCO2 ZINC001208945022 1371959645 /nfs/dbraw/zinc/95/96/45/1371959645.db2.gz QVVZFFMDKVKKHC-PMACEKPBSA-N 2 1 344.499 3.126 20 0 EGADMP C[NH+](C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC2(C1)OCCO2 ZINC001208945022 1371959647 /nfs/dbraw/zinc/95/96/47/1371959647.db2.gz QVVZFFMDKVKKHC-PMACEKPBSA-N 2 1 344.499 3.126 20 0 EGADMP CC(C)[N@H+]1CCN(C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC001208949006 1371960150 /nfs/dbraw/zinc/96/01/50/1371960150.db2.gz VEZMJUONIPBGKQ-PZJWPPBQSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC001208949006 1371960151 /nfs/dbraw/zinc/96/01/51/1371960151.db2.gz VEZMJUONIPBGKQ-PZJWPPBQSA-N 2 1 329.532 3.313 20 0 EGADMP CC(C)[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC001208949006 1371960153 /nfs/dbraw/zinc/96/01/53/1371960153.db2.gz VEZMJUONIPBGKQ-PZJWPPBQSA-N 2 1 329.532 3.313 20 0 EGADMP CC[N@H+]1CCN(C[C@H]2CCC[NH+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001208949443 1371960389 /nfs/dbraw/zinc/96/03/89/1371960389.db2.gz VKUKFXSVWWHYGV-FQEVSTJZSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001208949443 1371960395 /nfs/dbraw/zinc/96/03/95/1371960395.db2.gz VKUKFXSVWWHYGV-FQEVSTJZSA-N 2 1 329.532 3.315 20 0 EGADMP CC[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C(C)(C)C1 ZINC001208949443 1371960397 /nfs/dbraw/zinc/96/03/97/1371960397.db2.gz VKUKFXSVWWHYGV-FQEVSTJZSA-N 2 1 329.532 3.315 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN3CC[NH+](C4CCCC4)CC3)C2)cc1 ZINC001208950568 1371961026 /nfs/dbraw/zinc/96/10/26/1371961026.db2.gz UMMCGGMIUIDIOU-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](CN3CC[NH+](C4CCCC4)CC3)C2)cc1 ZINC001208950567 1371961102 /nfs/dbraw/zinc/96/11/02/1371961102.db2.gz UMMCGGMIUIDIOU-FQEVSTJZSA-N 2 1 327.516 3.069 20 0 EGADMP Cc1ccnn1C1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208957904 1371962164 /nfs/dbraw/zinc/96/21/64/1371962164.db2.gz MRVCKQUMYHDLAD-FQEVSTJZSA-N 2 1 338.499 3.351 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001209007654 1371973128 /nfs/dbraw/zinc/97/31/28/1371973128.db2.gz YYMLTBNIOYSQIY-IAGOWNOFSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001209007654 1371973129 /nfs/dbraw/zinc/97/31/29/1371973129.db2.gz YYMLTBNIOYSQIY-IAGOWNOFSA-N 2 1 348.535 3.269 20 0 EGADMP COCCCC[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001209218343 1372041714 /nfs/dbraw/zinc/04/17/14/1372041714.db2.gz DPCZDMOLDGKBFG-UHFFFAOYSA-N 2 1 333.863 3.437 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCCC3CCCC3)C2)CC[N@H+]1C ZINC001209250724 1372051066 /nfs/dbraw/zinc/05/10/66/1372051066.db2.gz IQUJDESRDMMIII-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@@H+](CCCCNC(=O)OC(C)(C)C)CCC[NH+]1CCCCC1 ZINC001209452060 1372108939 /nfs/dbraw/zinc/10/89/39/1372108939.db2.gz AITMBDBAFWWQPO-UHFFFAOYSA-N 2 1 327.513 3.099 20 0 EGADMP CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001209451047 1372108959 /nfs/dbraw/zinc/10/89/59/1372108959.db2.gz SDWKRJDHGXIDHA-KRWDZBQOSA-N 2 1 339.524 3.242 20 0 EGADMP CC(C)C[C@](C)(C[NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001121916359 1372122153 /nfs/dbraw/zinc/12/21/53/1372122153.db2.gz WPKHWWLOLPTFRN-WSTZPKSXSA-N 2 1 337.552 3.111 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2 ZINC001121918908 1372123063 /nfs/dbraw/zinc/12/30/63/1372123063.db2.gz HHJKMWQTAGTPBR-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH]1 ZINC001209572256 1372140342 /nfs/dbraw/zinc/14/03/42/1372140342.db2.gz DYWXGMFOYMZLMK-WMQCIHAUSA-N 2 1 338.499 3.451 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH]1 ZINC001209572256 1372140347 /nfs/dbraw/zinc/14/03/47/1372140347.db2.gz DYWXGMFOYMZLMK-WMQCIHAUSA-N 2 1 338.499 3.451 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)[nH]1 ZINC001209572256 1372140353 /nfs/dbraw/zinc/14/03/53/1372140353.db2.gz DYWXGMFOYMZLMK-WMQCIHAUSA-N 2 1 338.499 3.451 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)[nH]1 ZINC001209572256 1372140356 /nfs/dbraw/zinc/14/03/56/1372140356.db2.gz DYWXGMFOYMZLMK-WMQCIHAUSA-N 2 1 338.499 3.451 20 0 EGADMP Nc1cc[nH+]cc1C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC001209728004 1372178737 /nfs/dbraw/zinc/17/87/37/1372178737.db2.gz BQBCDUKDXCCKRU-UHFFFAOYSA-N 2 1 326.375 3.154 20 0 EGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC001209766571 1372189605 /nfs/dbraw/zinc/18/96/05/1372189605.db2.gz JTRYGNJIXNZXFJ-UHFFFAOYSA-N 2 1 333.439 3.102 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001122231368 1372206962 /nfs/dbraw/zinc/20/69/62/1372206962.db2.gz IRUNMZNBOLLJSU-NQQAFZQPSA-N 2 1 349.563 3.312 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001209891218 1372223368 /nfs/dbraw/zinc/22/33/68/1372223368.db2.gz ATABBKAZXPUIBW-KRWDZBQOSA-N 2 1 348.535 3.413 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209892486 1372225066 /nfs/dbraw/zinc/22/50/66/1372225066.db2.gz UGTBFVQTPNLLLB-QGZVFWFLSA-N 2 1 334.508 3.023 20 0 EGADMP c1c(CCc2ccccc2)noc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210261967 1372308790 /nfs/dbraw/zinc/30/87/90/1372308790.db2.gz LMGJUXGDSCIOSP-UHFFFAOYSA-N 2 1 349.438 3.008 20 0 EGADMP Clc1ccc2cccnc2c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210266755 1372310191 /nfs/dbraw/zinc/31/01/91/1372310191.db2.gz PBWUMCOENARHCV-UHFFFAOYSA-N 2 1 339.830 3.436 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2CC)C1 ZINC001210773746 1372424296 /nfs/dbraw/zinc/42/42/96/1372424296.db2.gz NZFBDKKMSLKTRQ-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001210811738 1372431546 /nfs/dbraw/zinc/43/15/46/1372431546.db2.gz QIMMWBLQQDCOMB-MOPGFXCFSA-N 2 1 345.531 3.287 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001211256571 1372513258 /nfs/dbraw/zinc/51/32/58/1372513258.db2.gz JFFSVPSIZSFZFQ-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1)c1ccccc1 ZINC001211285612 1372520641 /nfs/dbraw/zinc/52/06/41/1372520641.db2.gz QDNUAGJEZITTHV-MOPGFXCFSA-N 2 1 331.504 3.059 20 0 EGADMP C[NH2+][C@@H](C)CC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC001326473656 1388205871 /nfs/dbraw/zinc/20/58/71/1388205871.db2.gz MYKZETCLXXEEOU-SMDDNHRTSA-N 2 1 327.266 3.250 20 0 EGADMP Cc1cc(F)c(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)cc1F ZINC001212144962 1372663750 /nfs/dbraw/zinc/66/37/50/1372663750.db2.gz IDDJUYRROVBIGJ-HNNXBMFYSA-N 2 1 338.402 3.491 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001326507772 1388223441 /nfs/dbraw/zinc/22/34/41/1388223441.db2.gz JTQAPWIYMUHVEM-VJANTYMQSA-N 2 1 337.552 3.027 20 0 EGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC001326539040 1388233071 /nfs/dbraw/zinc/23/30/71/1388233071.db2.gz IYUYKRARIXCFJV-WIYYLYMNSA-N 2 1 338.499 3.001 20 0 EGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc2n(n1)CCC2 ZINC001326539040 1388233074 /nfs/dbraw/zinc/23/30/74/1388233074.db2.gz IYUYKRARIXCFJV-WIYYLYMNSA-N 2 1 338.499 3.001 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001214996920 1373153190 /nfs/dbraw/zinc/15/31/90/1373153190.db2.gz FRWRRQLDBLPXJZ-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001128743343 1373307657 /nfs/dbraw/zinc/30/76/57/1373307657.db2.gz BZWXMSGWJPDJOG-MOPGFXCFSA-N 2 1 345.531 3.306 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001216490385 1373311744 /nfs/dbraw/zinc/31/17/44/1373311744.db2.gz AQEVFILHMJCBFN-YZGWKJHDSA-N 2 1 345.531 3.306 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+]Cc1ccccc1C1CC1 ZINC001129422446 1373382510 /nfs/dbraw/zinc/38/25/10/1373382510.db2.gz IWTSPXNVPGYKRM-IBGZPJMESA-N 2 1 343.515 3.033 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130189319 1373471914 /nfs/dbraw/zinc/47/19/14/1373471914.db2.gz NVOLXKFEMRXNSZ-UYAOXDASSA-N 2 1 343.515 3.033 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C)c1ccc(C(C)(C)C)cc1 ZINC001130303576 1373487938 /nfs/dbraw/zinc/48/79/38/1373487938.db2.gz DKKASSUWKTVKHL-VQIMIIECSA-N 2 1 345.531 3.235 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001130306314 1373488136 /nfs/dbraw/zinc/48/81/36/1373488136.db2.gz VKGZMMKALBMMOM-UZLBHIALSA-N 2 1 339.483 3.091 20 0 EGADMP CC(C)COc1ccc(-c2nnc([C@H]([NH3+])CC3CC[NH2+]CC3)o2)cc1 ZINC001217726150 1373495071 /nfs/dbraw/zinc/49/50/71/1373495071.db2.gz XJTAWPSIEDUECQ-QGZVFWFLSA-N 2 1 344.459 3.161 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CO[C@@H]3CCC[C@]34CC[NH2+]C4)C2)cc1 ZINC001217803137 1373502370 /nfs/dbraw/zinc/50/23/70/1373502370.db2.gz PNRIDVGEHOMYEA-PWRODBHTSA-N 2 1 328.500 3.447 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3OCC2CC[NH2+]CC2)cc1 ZINC001217809324 1373503025 /nfs/dbraw/zinc/50/30/25/1373503025.db2.gz RVBIBSMZRLIJFP-WCRBZPEASA-N 2 1 328.500 3.303 20 0 EGADMP CC1(C)[NH2+][C@H](CO[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CO1 ZINC001217847160 1373506794 /nfs/dbraw/zinc/50/67/94/1373506794.db2.gz DSJQITVKHGEAID-QZTJIDSGSA-N 2 1 332.488 3.028 20 0 EGADMP C[NH+](C)Cc1cc(O[C@@H]2CCC[NH2+]CC2)ccc1Br ZINC001217995451 1373530494 /nfs/dbraw/zinc/53/04/94/1373530494.db2.gz QBXNHXBJMFZOLD-CYBMUJFWSA-N 2 1 327.266 3.032 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001130710696 1373583065 /nfs/dbraw/zinc/58/30/65/1373583065.db2.gz AVCNRTWKAJGSIY-FQEVSTJZSA-N 2 1 345.531 3.136 20 0 EGADMP CC[C@]1(c2cccc(OC[C@@H]3C[NH2+]CCCO3)c2)CCCC[N@@H+](C)C1 ZINC001218301183 1373590986 /nfs/dbraw/zinc/59/09/86/1373590986.db2.gz ZAYFGOXDUIHNGU-SFTDATJTSA-N 2 1 346.515 3.207 20 0 EGADMP c1ccc(C[N@@H+]2CCc3ccc(O[C@@H]4CC[C@@H]5C[NH2+]C[C@H]45)nc3C2)cc1 ZINC001218462456 1373619104 /nfs/dbraw/zinc/61/91/04/1373619104.db2.gz XJFWMWGXLCHMKF-SVFBPWRDSA-N 2 1 349.478 3.017 20 0 EGADMP c1ccc(C[N@H+]2CCc3ccc(O[C@@H]4CC[C@@H]5C[NH2+]C[C@H]45)nc3C2)cc1 ZINC001218462456 1373619109 /nfs/dbraw/zinc/61/91/09/1373619109.db2.gz XJFWMWGXLCHMKF-SVFBPWRDSA-N 2 1 349.478 3.017 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848316 1373797792 /nfs/dbraw/zinc/79/77/92/1373797792.db2.gz JZNGHQJMITWLHM-VAMGGRTRSA-N 2 1 349.563 3.364 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848291 1373797930 /nfs/dbraw/zinc/79/79/30/1373797930.db2.gz IMDSOTGWUCDQHE-RQFBSITCSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224170178 1375059022 /nfs/dbraw/zinc/05/90/22/1375059022.db2.gz RTRIUMUZSHZMMU-AQNXPRMDSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001224746535 1375074041 /nfs/dbraw/zinc/07/40/41/1375074041.db2.gz SWINQLJWBAADBI-KRWDZBQOSA-N 2 1 348.535 3.271 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001225245673 1375099062 /nfs/dbraw/zinc/09/90/62/1375099062.db2.gz VODNQFQEDBJRAH-UHFFFAOYSA-N 2 1 339.568 3.373 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCc2ncc[nH]2)C[N@H+]1CCC1CCCCC1 ZINC001132024971 1375104692 /nfs/dbraw/zinc/10/46/92/1375104692.db2.gz KWEYYDCXNHOVLS-WMZOPIPTSA-N 2 1 346.519 3.282 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CC1CCCCCC1 ZINC001132105553 1375150420 /nfs/dbraw/zinc/15/04/20/1375150420.db2.gz IUJNHYFDFVCGTM-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001226332825 1375241167 /nfs/dbraw/zinc/24/11/67/1375241167.db2.gz BEHNLJZTOZPFOB-DNQJRFPUSA-N 2 1 349.563 3.480 20 0 EGADMP CCc1ccc(C[N@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)cc1 ZINC001132248879 1375245157 /nfs/dbraw/zinc/24/51/57/1375245157.db2.gz JWBJEQMDRUDHSO-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CC(C)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335834 1375316109 /nfs/dbraw/zinc/31/61/09/1375316109.db2.gz UYIFUYIICPTTOO-IRXDYDNUSA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335834 1375316115 /nfs/dbraw/zinc/31/61/15/1375316115.db2.gz UYIFUYIICPTTOO-IRXDYDNUSA-N 2 1 334.508 3.022 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC=C(C)C)C1 ZINC001132365743 1375330379 /nfs/dbraw/zinc/33/03/79/1375330379.db2.gz PQWPFBLNGRXADI-OALUTQOASA-N 2 1 337.552 3.434 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC=C(C)C)C1 ZINC001132365743 1375330382 /nfs/dbraw/zinc/33/03/82/1375330382.db2.gz PQWPFBLNGRXADI-OALUTQOASA-N 2 1 337.552 3.434 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC=C(C)C)C1 ZINC001132365743 1375330387 /nfs/dbraw/zinc/33/03/87/1375330387.db2.gz PQWPFBLNGRXADI-OALUTQOASA-N 2 1 337.552 3.434 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001226775023 1375331204 /nfs/dbraw/zinc/33/12/04/1375331204.db2.gz PKIJKYHRSVGMSB-SVDWJPHNSA-N 2 1 344.503 3.134 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(C)cccc2C)C1 ZINC001132376624 1375339449 /nfs/dbraw/zinc/33/94/49/1375339449.db2.gz PGBUCMCXBSMFJA-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC001226817757 1375342521 /nfs/dbraw/zinc/34/25/21/1375342521.db2.gz ITCAIJJFNDDTMV-NSISKUIASA-N 2 1 343.515 3.249 20 0 EGADMP CC/C=C\CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001227791724 1375474617 /nfs/dbraw/zinc/47/46/17/1375474617.db2.gz GBUGHBGNVOTHTM-HZQHCPKGSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001227877436 1375485839 /nfs/dbraw/zinc/48/58/39/1375485839.db2.gz ROQJSSABHQAQMC-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C\CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790522 1375565876 /nfs/dbraw/zinc/56/58/76/1375565876.db2.gz HLCLXIHGXPFTEV-HMECNJMJSA-N 2 1 335.536 3.236 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1ccccc1 ZINC001132794674 1375568660 /nfs/dbraw/zinc/56/86/60/1375568660.db2.gz FFFAUUDIYFZASN-XLIONFOSSA-N 2 1 343.515 3.251 20 0 EGADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C[NH2+]CCC1CCCC1 ZINC001132887209 1375625718 /nfs/dbraw/zinc/62/57/18/1375625718.db2.gz CUFVKUMMPGHBEN-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CCC(Oc2ccc3c(n2)C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC001229055371 1375752563 /nfs/dbraw/zinc/75/25/63/1375752563.db2.gz ACCXFDWZSHBOLS-UHFFFAOYSA-N 2 1 337.467 3.113 20 0 EGADMP C[NH+]1CCC(Oc2ccc3c(n2)C[N@H+](Cc2ccccc2)CC3)CC1 ZINC001229055371 1375752569 /nfs/dbraw/zinc/75/25/69/1375752569.db2.gz ACCXFDWZSHBOLS-UHFFFAOYSA-N 2 1 337.467 3.113 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133122980 1375787772 /nfs/dbraw/zinc/78/77/72/1375787772.db2.gz WYNJFWHJNHVXJC-LXORQPIJSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001229215891 1375788863 /nfs/dbraw/zinc/78/88/63/1375788863.db2.gz WOVFPVZHDCVWOQ-KRWDZBQOSA-N 2 1 339.568 3.227 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC001229869136 1375908687 /nfs/dbraw/zinc/90/86/87/1375908687.db2.gz YRXRJNUXLSEKAY-VAMGGRTRSA-N 2 1 343.515 3.033 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH+](CCCC(C)(C)C)C[C@H]32)CC[N@H+]1C ZINC001188932495 1388413710 /nfs/dbraw/zinc/41/37/10/1388413710.db2.gz YGUICQXUOCJPME-CADBVGFASA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCCC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001188932495 1388413715 /nfs/dbraw/zinc/41/37/15/1388413715.db2.gz YGUICQXUOCJPME-CADBVGFASA-N 2 1 349.563 3.076 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCCC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001188932495 1388413719 /nfs/dbraw/zinc/41/37/19/1388413719.db2.gz YGUICQXUOCJPME-CADBVGFASA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230284794 1375983381 /nfs/dbraw/zinc/98/33/81/1375983381.db2.gz VIAQZJULHGXUOH-KZNAEPCWSA-N 2 1 325.541 3.026 20 0 EGADMP CC/C=C\CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592032 1376090050 /nfs/dbraw/zinc/09/00/50/1376090050.db2.gz QCJNWGAPPFMTTK-PRPIBZDOSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001230598365 1376092670 /nfs/dbraw/zinc/09/26/70/1376092670.db2.gz MFPQNMOHJVXCQM-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001230598365 1376092675 /nfs/dbraw/zinc/09/26/75/1376092675.db2.gz MFPQNMOHJVXCQM-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001230611372 1376101397 /nfs/dbraw/zinc/10/13/97/1376101397.db2.gz RSOLGECKZIZMTI-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001230611372 1376101404 /nfs/dbraw/zinc/10/14/04/1376101404.db2.gz RSOLGECKZIZMTI-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CC/C=C/CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001230621945 1376105271 /nfs/dbraw/zinc/10/52/71/1376105271.db2.gz JCIAJNXKNJCDLH-YADGQWAMSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCCn2ccnc2)CC1 ZINC001230627693 1376106539 /nfs/dbraw/zinc/10/65/39/1376106539.db2.gz DVHPXZMKJFXDSL-LJQANCHMSA-N 2 1 346.519 3.022 20 0 EGADMP C[N@@H+](CC(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1)CC(C)(C)C ZINC001133899591 1376255706 /nfs/dbraw/zinc/25/57/06/1376255706.db2.gz NSEDXYKIJJWZIQ-UHFFFAOYSA-N 2 1 347.547 3.168 20 0 EGADMP CC(C)(C)OC(=O)N1CC2(C1)CC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232012711 1376381071 /nfs/dbraw/zinc/38/10/71/1376381071.db2.gz OOBLZVGIAKQBKG-UHFFFAOYSA-N 2 1 342.443 3.006 20 0 EGADMP O=C1Nc2ccccc2CN1[C@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232018609 1376386077 /nfs/dbraw/zinc/38/60/77/1376386077.db2.gz NVWWUDYXOJPISH-KRWDZBQOSA-N 2 1 347.422 3.185 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCN(c3cccc(F)c3)CC2)c1 ZINC001232152554 1376410194 /nfs/dbraw/zinc/41/01/94/1376410194.db2.gz ZDRCLGAPTFXZES-UHFFFAOYSA-N 2 1 345.437 3.349 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(O)c3ncccc23)CC1 ZINC001232278130 1376430324 /nfs/dbraw/zinc/43/03/24/1376430324.db2.gz AFYMPZYDILVFBE-UHFFFAOYSA-N 2 1 327.472 3.493 20 0 EGADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(OC)cc1Cl ZINC001232374706 1376452693 /nfs/dbraw/zinc/45/26/93/1376452693.db2.gz YEYYOBWAOCPMPA-UHFFFAOYSA-N 2 1 338.879 3.275 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC001134574138 1376604674 /nfs/dbraw/zinc/60/46/74/1376604674.db2.gz LMPFMNCUVACFOL-QGZVFWFLSA-N 2 1 342.487 3.090 20 0 EGADMP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001134607179 1376622608 /nfs/dbraw/zinc/62/26/08/1376622608.db2.gz FGOSXGYUCAULCH-QZTJIDSGSA-N 2 1 345.531 3.161 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001134774293 1376713459 /nfs/dbraw/zinc/71/34/59/1376713459.db2.gz XFOPCVXUXXKFFV-IRXDYDNUSA-N 2 1 333.520 3.098 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001134773393 1376713665 /nfs/dbraw/zinc/71/36/65/1376713665.db2.gz OHRJFDCCWFNADG-MSOLQXFVSA-N 2 1 347.547 3.407 20 0 EGADMP CCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001234323913 1376811347 /nfs/dbraw/zinc/81/13/47/1376811347.db2.gz WDCXCKFHMPLBIT-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001234323913 1376811351 /nfs/dbraw/zinc/81/13/51/1376811351.db2.gz WDCXCKFHMPLBIT-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001234323913 1376811355 /nfs/dbraw/zinc/81/13/55/1376811355.db2.gz WDCXCKFHMPLBIT-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP COc1ccc2nccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235427634 1376870758 /nfs/dbraw/zinc/87/07/58/1376870758.db2.gz MTBXDXNYWQGGRS-DLBZAZTESA-N 2 1 339.483 3.455 20 0 EGADMP COc1cc(F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC001235429857 1376871477 /nfs/dbraw/zinc/87/14/77/1376871477.db2.gz RTSIIIWAVCSHGE-GJZGRUSLSA-N 2 1 336.451 3.055 20 0 EGADMP Clc1cccc2ncc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n21 ZINC001235430061 1376872699 /nfs/dbraw/zinc/87/26/99/1376872699.db2.gz WGSLEPNTMYAMIZ-LSDHHAIUSA-N 2 1 332.879 3.199 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)C2)cc1 ZINC001235883810 1376909738 /nfs/dbraw/zinc/90/97/38/1376909738.db2.gz PSZHWPDKQMQEFB-IFMALSPDSA-N 3 1 341.543 3.363 20 0 EGADMP c1ccc(CN2CCC[C@H](C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)C2)cc1 ZINC001235883810 1376909751 /nfs/dbraw/zinc/90/97/51/1376909751.db2.gz PSZHWPDKQMQEFB-IFMALSPDSA-N 2 1 341.543 3.363 20 0 EGADMP [NH3+]C1CC[NH+](Cc2ccccc2-c2ccc(F)c(CO)c2F)CC1 ZINC001235896832 1376912776 /nfs/dbraw/zinc/91/27/76/1376912776.db2.gz ZTYBBVCPHFYXDS-UHFFFAOYSA-N 2 1 332.394 3.047 20 0 EGADMP COCC[N@H+](Cc1cc(C)cc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235943259 1376920945 /nfs/dbraw/zinc/92/09/45/1376920945.db2.gz HISPXZWEOWIKBV-UHFFFAOYSA-N 2 1 330.394 3.214 20 0 EGADMP COCC[N@@H+](Cc1cc(C)cc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235943259 1376920954 /nfs/dbraw/zinc/92/09/54/1376920954.db2.gz HISPXZWEOWIKBV-UHFFFAOYSA-N 2 1 330.394 3.214 20 0 EGADMP c1ccc(CN(C[C@@H]2CC[NH2+]2)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001235947338 1376922872 /nfs/dbraw/zinc/92/28/72/1376922872.db2.gz AGTDUCWCLFAOFL-FCHUYYIVSA-N 2 1 335.495 3.125 20 0 EGADMP [NH3+]C1CN([C@H]2CCC[N@@H+](Cc3ccccc3-c3cccs3)C2)C1 ZINC001236077479 1376931766 /nfs/dbraw/zinc/93/17/66/1376931766.db2.gz IDEWMDSENNQUON-KRWDZBQOSA-N 2 1 327.497 3.022 20 0 EGADMP CCC[N@@H+](Cc1ccc(Br)c(OC)c1)C1CC[NH2+]CC1 ZINC001236181721 1376939704 /nfs/dbraw/zinc/93/97/04/1376939704.db2.gz BZNUOLYQHMYCSZ-UHFFFAOYSA-N 2 1 341.293 3.422 20 0 EGADMP CCC[N@@H+](Cc1cc(OC(F)(F)F)ccc1N)C1CC[NH2+]CC1 ZINC001236183221 1376939737 /nfs/dbraw/zinc/93/97/37/1376939737.db2.gz ZMFHBQROOOLDOF-UHFFFAOYSA-N 2 1 331.382 3.131 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccc(Cl)cc2Cl)N(C)C)CC[NH2+]1 ZINC001246297719 1377051267 /nfs/dbraw/zinc/05/12/67/1377051267.db2.gz XJVKNASUZJJTKD-PVXIVEMSSA-N 2 1 330.303 3.326 20 0 EGADMP CCc1cccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c1 ZINC001247909990 1377065322 /nfs/dbraw/zinc/06/53/22/1377065322.db2.gz XGYOGFFUDSZLNP-UHFFFAOYSA-N 2 1 340.471 3.230 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1ccccc1F ZINC001135440405 1377098522 /nfs/dbraw/zinc/09/85/22/1377098522.db2.gz LUOJAOZKDSTGBH-MRXNPFEDSA-N 2 1 337.483 3.105 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](CC)c1ccccc1 ZINC001135440569 1377098557 /nfs/dbraw/zinc/09/85/57/1377098557.db2.gz ODDFMGUNUKOPJX-IBGZPJMESA-N 2 1 333.520 3.356 20 0 EGADMP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254509585 1377105460 /nfs/dbraw/zinc/10/54/60/1377105460.db2.gz PDFSKBTWZLXOTJ-BBRMVZONSA-N 2 1 325.294 3.454 20 0 EGADMP Cc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001135477908 1377111690 /nfs/dbraw/zinc/11/16/90/1377111690.db2.gz XJRTYGRFGQBUBM-QZTJIDSGSA-N 2 1 347.547 3.346 20 0 EGADMP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481226 1377114068 /nfs/dbraw/zinc/11/40/68/1377114068.db2.gz ROTFXWSJYQKVEJ-MOPGFXCFSA-N 2 1 347.547 3.224 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CCCC1 ZINC001135583705 1377155102 /nfs/dbraw/zinc/15/51/02/1377155102.db2.gz CUUYEXIFWUTLDN-IAGOWNOFSA-N 2 1 348.535 3.460 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001135584161 1377155209 /nfs/dbraw/zinc/15/52/09/1377155209.db2.gz LBEWEMGXXGXZEH-HOTGVXAUSA-N 2 1 348.535 3.316 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCCC1 ZINC001135586070 1377155872 /nfs/dbraw/zinc/15/58/72/1377155872.db2.gz WFBVIGRSQBVMIX-JKSUJKDBSA-N 2 1 334.508 3.070 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001266195624 1377222723 /nfs/dbraw/zinc/22/27/23/1377222723.db2.gz XGWCFLIYQFOGEL-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001135861655 1377238669 /nfs/dbraw/zinc/23/86/69/1377238669.db2.gz VCPXUNMGQLVXKB-QZTJIDSGSA-N 2 1 333.520 3.018 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001135861950 1377238747 /nfs/dbraw/zinc/23/87/47/1377238747.db2.gz ZNGCZKSKOSEDPO-DLBZAZTESA-N 2 1 325.541 3.172 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC001266304130 1377264075 /nfs/dbraw/zinc/26/40/75/1377264075.db2.gz JCMKQJKMAVTZRI-SFHVURJKSA-N 2 1 345.531 3.450 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001266304130 1377264079 /nfs/dbraw/zinc/26/40/79/1377264079.db2.gz JCMKQJKMAVTZRI-SFHVURJKSA-N 2 1 345.531 3.450 20 0 EGADMP C[C@@H](c1ccccc1)[NH+](C)CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001266304130 1377264083 /nfs/dbraw/zinc/26/40/83/1377264083.db2.gz JCMKQJKMAVTZRI-SFHVURJKSA-N 2 1 345.531 3.450 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266323013 1377273133 /nfs/dbraw/zinc/27/31/33/1377273133.db2.gz SEFVUBMKVKSBEA-RHSMWYFYSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266323013 1377273138 /nfs/dbraw/zinc/27/31/38/1377273138.db2.gz SEFVUBMKVKSBEA-RHSMWYFYSA-N 2 1 349.906 3.076 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001266328020 1377274821 /nfs/dbraw/zinc/27/48/21/1377274821.db2.gz QXHRPHRQCLTXLN-GOSISDBHSA-N 2 1 343.515 3.030 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001266328020 1377274824 /nfs/dbraw/zinc/27/48/24/1377274824.db2.gz QXHRPHRQCLTXLN-GOSISDBHSA-N 2 1 343.515 3.030 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001266328020 1377274825 /nfs/dbraw/zinc/27/48/25/1377274825.db2.gz QXHRPHRQCLTXLN-GOSISDBHSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001135974608 1377283502 /nfs/dbraw/zinc/28/35/02/1377283502.db2.gz RWOPSVBCRSQZIH-HHPZPRIESA-N 2 1 345.531 3.305 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001135975692 1377283660 /nfs/dbraw/zinc/28/36/60/1377283660.db2.gz ARUSXAAYVMPFOV-HUUCEWRRSA-N 2 1 339.911 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCc1ccccc1CC ZINC001135978978 1377285096 /nfs/dbraw/zinc/28/50/96/1377285096.db2.gz AGOOXONWJLRLKR-ZWKOTPCHSA-N 2 1 347.547 3.006 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001267090237 1377411879 /nfs/dbraw/zinc/41/18/79/1377411879.db2.gz HZCSTEZSCFPDKV-VQTJNVASSA-N 2 1 345.531 3.244 20 0 EGADMP CC[C@H](C)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001267603975 1377463329 /nfs/dbraw/zinc/46/33/29/1377463329.db2.gz BWMXCUQDMRKSRH-HKUYNNGSSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C)C[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001267603975 1377463332 /nfs/dbraw/zinc/46/33/32/1377463332.db2.gz BWMXCUQDMRKSRH-HKUYNNGSSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C)C[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001267603975 1377463333 /nfs/dbraw/zinc/46/33/33/1377463333.db2.gz BWMXCUQDMRKSRH-HKUYNNGSSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC001137176755 1377491523 /nfs/dbraw/zinc/49/15/23/1377491523.db2.gz KIVMVHWQXRVYKK-UHFFFAOYSA-N 2 1 339.483 3.310 20 0 EGADMP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC001137176755 1377491526 /nfs/dbraw/zinc/49/15/26/1377491526.db2.gz KIVMVHWQXRVYKK-UHFFFAOYSA-N 2 1 339.483 3.310 20 0 EGADMP COc1ccc(F)cc1C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001138371780 1377710969 /nfs/dbraw/zinc/71/09/69/1377710969.db2.gz VQAKDCRHJFKIQJ-UHFFFAOYSA-N 2 1 329.419 3.277 20 0 EGADMP CCOc1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c(C)c1 ZINC001138433089 1377723710 /nfs/dbraw/zinc/72/37/10/1377723710.db2.gz BZOICGVFSWDOFW-UHFFFAOYSA-N 2 1 331.460 3.024 20 0 EGADMP CN(C)c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001138493193 1377733314 /nfs/dbraw/zinc/73/33/14/1377733314.db2.gz RTJRMQBYQAOMRO-HDICACEKSA-N 2 1 341.524 3.378 20 0 EGADMP CN(C)c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001138493193 1377733315 /nfs/dbraw/zinc/73/33/15/1377733315.db2.gz RTJRMQBYQAOMRO-HDICACEKSA-N 2 1 341.524 3.378 20 0 EGADMP CN(C)c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001138493193 1377733316 /nfs/dbraw/zinc/73/33/16/1377733316.db2.gz RTJRMQBYQAOMRO-HDICACEKSA-N 2 1 341.524 3.378 20 0 EGADMP CN(C)c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001138493193 1377733317 /nfs/dbraw/zinc/73/33/17/1377733317.db2.gz RTJRMQBYQAOMRO-HDICACEKSA-N 2 1 341.524 3.378 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCOC[C@H]2C2CCCCC2)cc1 ZINC001138772189 1377782447 /nfs/dbraw/zinc/78/24/47/1377782447.db2.gz TVWWGNOYVJPYNA-NRFANRHFSA-N 2 1 346.515 3.408 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(F)cnc2Cl)CC1 ZINC001138890438 1377799827 /nfs/dbraw/zinc/79/98/27/1377799827.db2.gz SDDINCZKVYFADY-UHFFFAOYSA-N 2 1 334.826 3.317 20 0 EGADMP CC(C)COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001138969610 1377811072 /nfs/dbraw/zinc/81/10/72/1377811072.db2.gz QPFOZZKAEOSUDO-UHFFFAOYSA-N 2 1 325.456 3.439 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cnc(N)s1)CC2 ZINC001139226427 1377856428 /nfs/dbraw/zinc/85/64/28/1377856428.db2.gz UZSYOYBYZKWINI-INIZCTEOSA-N 2 1 346.500 3.195 20 0 EGADMP CCC[N@H+](CCC[NH+](C)C)Cc1c2ccccc2[nH]c1C(=O)OC ZINC001139400808 1377878936 /nfs/dbraw/zinc/87/89/36/1377878936.db2.gz IKLFYOSHHDZNSP-UHFFFAOYSA-N 2 1 331.460 3.118 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c2ccccc2[nH]c1C(=O)OC ZINC001139400808 1377878938 /nfs/dbraw/zinc/87/89/38/1377878938.db2.gz IKLFYOSHHDZNSP-UHFFFAOYSA-N 2 1 331.460 3.118 20 0 EGADMP CC[N@@H+](C)C1CCN(Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001139542204 1377901568 /nfs/dbraw/zinc/90/15/68/1377901568.db2.gz GONIBGQZMNTTJA-UHFFFAOYSA-N 2 1 340.393 3.498 20 0 EGADMP C[NH+]1CCC(C2CC[NH+](Cc3cn4c(cccc4F)n3)CC2)CC1 ZINC001139569743 1377909969 /nfs/dbraw/zinc/90/99/69/1377909969.db2.gz MIZSOGPAJDIMSX-UHFFFAOYSA-N 2 1 330.451 3.027 20 0 EGADMP CC[NH+]1CCC(CC2CC[NH+](Cc3cn4ccncc4n3)CC2)CC1 ZINC001139699596 1377936608 /nfs/dbraw/zinc/93/66/08/1377936608.db2.gz GCYDWKJSINDZMB-UHFFFAOYSA-N 2 1 341.503 3.063 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001140028743 1377992723 /nfs/dbraw/zinc/99/27/23/1377992723.db2.gz ABWRCRFQVLCOGT-ICSRJNTNSA-N 2 1 342.462 3.189 20 0 EGADMP COc1ccc2n[nH]c(C[N@@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)c2c1 ZINC001140069538 1378000761 /nfs/dbraw/zinc/00/07/61/1378000761.db2.gz YMAWVCMGTAEADQ-JKSUJKDBSA-N 2 1 342.487 3.410 20 0 EGADMP COc1ccc2n[nH]c(C[N@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)c2c1 ZINC001140069538 1378000768 /nfs/dbraw/zinc/00/07/68/1378000768.db2.gz YMAWVCMGTAEADQ-JKSUJKDBSA-N 2 1 342.487 3.410 20 0 EGADMP COc1ccc2n[nH]c(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@@H+]3C)c2c1 ZINC001140069538 1378000774 /nfs/dbraw/zinc/00/07/74/1378000774.db2.gz YMAWVCMGTAEADQ-JKSUJKDBSA-N 2 1 342.487 3.410 20 0 EGADMP COc1ccc2n[nH]c(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@H+]3C)c2c1 ZINC001140069538 1378000779 /nfs/dbraw/zinc/00/07/79/1378000779.db2.gz YMAWVCMGTAEADQ-JKSUJKDBSA-N 2 1 342.487 3.410 20 0 EGADMP CCC[NH+]1C[C@H]2C[NH+](Cc3c[nH]c4ccc(OCC)cc34)C[C@@H]2C1 ZINC001140273448 1378038933 /nfs/dbraw/zinc/03/89/33/1378038933.db2.gz GNWCYWWCWKAEIY-IRXDYDNUSA-N 2 1 327.472 3.340 20 0 EGADMP COC(=O)Cc1ccccc1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001140654456 1378106438 /nfs/dbraw/zinc/10/64/38/1378106438.db2.gz KBNSSXZLPXMNEL-VQTJNVASSA-N 2 1 344.499 3.241 20 0 EGADMP COC(=O)Cc1ccccc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001140654456 1378106439 /nfs/dbraw/zinc/10/64/39/1378106439.db2.gz KBNSSXZLPXMNEL-VQTJNVASSA-N 2 1 344.499 3.241 20 0 EGADMP COC(=O)Cc1ccccc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001140654456 1378106440 /nfs/dbraw/zinc/10/64/40/1378106440.db2.gz KBNSSXZLPXMNEL-VQTJNVASSA-N 2 1 344.499 3.241 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(Br)ccn2)CC1 ZINC001140765187 1378133174 /nfs/dbraw/zinc/13/31/74/1378133174.db2.gz OYXULNRPLBXVRQ-UHFFFAOYSA-N 2 1 340.309 3.396 20 0 EGADMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001275165513 1378136004 /nfs/dbraw/zinc/13/60/04/1378136004.db2.gz GJIZKCORLGIDJF-INIZCTEOSA-N 2 1 335.458 3.069 20 0 EGADMP O=C1Nc2ccccc2C2(CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)N1 ZINC001140805004 1378143673 /nfs/dbraw/zinc/14/36/73/1378143673.db2.gz OCYBVBIDGSWUSN-UHFFFAOYSA-N 2 1 347.422 3.189 20 0 EGADMP COc1cc(CN2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c(OC)cc1C ZINC001275582332 1378144622 /nfs/dbraw/zinc/14/46/22/1378144622.db2.gz NBBWENYUBYFGRP-HXUWFJFHSA-N 2 1 332.488 3.320 20 0 EGADMP c1cn(CC[N@H+]2CCC[C@]3(CCC[NH+](Cc4ccsc4)C3)C2)cn1 ZINC001275866998 1378160212 /nfs/dbraw/zinc/16/02/12/1378160212.db2.gz WOXDRSLTYSHDQH-IBGZPJMESA-N 2 1 344.528 3.323 20 0 EGADMP c1cn(CC[NH+]2CCC[C@]3(CCC[N@H+](Cc4ccsc4)C3)C2)cn1 ZINC001275866998 1378160214 /nfs/dbraw/zinc/16/02/14/1378160214.db2.gz WOXDRSLTYSHDQH-IBGZPJMESA-N 2 1 344.528 3.323 20 0 EGADMP c1cn(CC[NH+]2CCC[C@]3(CCC[N@@H+](Cc4ccsc4)C3)C2)cn1 ZINC001275866998 1378160218 /nfs/dbraw/zinc/16/02/18/1378160218.db2.gz WOXDRSLTYSHDQH-IBGZPJMESA-N 2 1 344.528 3.323 20 0 EGADMP CC[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1)[NH+](CC)CC ZINC001140895872 1378175176 /nfs/dbraw/zinc/17/51/76/1378175176.db2.gz HKYUAWPNFODAEF-QUCCMNQESA-N 2 1 345.531 3.087 20 0 EGADMP C[N@H+]1CCC2(C1)CCN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)CC2 ZINC001276491896 1378175878 /nfs/dbraw/zinc/17/58/78/1378175878.db2.gz ODKSVWNNJGGEHH-NRFANRHFSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC2(C1)CCN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)CC2 ZINC001276491896 1378175882 /nfs/dbraw/zinc/17/58/82/1378175882.db2.gz ODKSVWNNJGGEHH-NRFANRHFSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCC2(C1)CCN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)CC2 ZINC001276491896 1378175886 /nfs/dbraw/zinc/17/58/86/1378175886.db2.gz ODKSVWNNJGGEHH-NRFANRHFSA-N 2 1 341.543 3.459 20 0 EGADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(F)cc(Br)c3)C[C@H]2CC1 ZINC001276837287 1378188370 /nfs/dbraw/zinc/18/83/70/1378188370.db2.gz IAYOFESQBBKSLK-OKILXGFUSA-N 2 1 341.268 3.362 20 0 EGADMP C[N@@H+](Cc1ccn2ccnc2c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001141046128 1378218673 /nfs/dbraw/zinc/21/86/73/1378218673.db2.gz NBWPPFRYYSFTLC-HXUWFJFHSA-N 2 1 334.467 3.288 20 0 EGADMP C[N@H+](Cc1ccn2ccnc2c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001141046128 1378218680 /nfs/dbraw/zinc/21/86/80/1378218680.db2.gz NBWPPFRYYSFTLC-HXUWFJFHSA-N 2 1 334.467 3.288 20 0 EGADMP C[NH+](Cc1ccn2ccnc2c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001141046128 1378218682 /nfs/dbraw/zinc/21/86/82/1378218682.db2.gz NBWPPFRYYSFTLC-HXUWFJFHSA-N 2 1 334.467 3.288 20 0 EGADMP C[NH+](Cc1ccn2ccnc2c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001141046128 1378218686 /nfs/dbraw/zinc/21/86/86/1378218686.db2.gz NBWPPFRYYSFTLC-HXUWFJFHSA-N 2 1 334.467 3.288 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001277423504 1378222843 /nfs/dbraw/zinc/22/28/43/1378222843.db2.gz QKGKHKOOPABBQD-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CCCC[C@@H](CC)C[N@H+]1CCC2(C1)CC[NH+](CCNC(C)=O)CC2 ZINC001277905964 1378250950 /nfs/dbraw/zinc/25/09/50/1378250950.db2.gz PDIDCGSUQHWQOU-LJQANCHMSA-N 2 1 337.552 3.127 20 0 EGADMP C[N@@H+](CCCC(=O)c1cccnc1)Cc1cccc(-n2ccnc2)c1 ZINC001141242816 1378281289 /nfs/dbraw/zinc/28/12/89/1378281289.db2.gz KKAMGJWKGVFKBF-UHFFFAOYSA-N 2 1 334.423 3.362 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cnc(C(F)(F)F)nc2)CC1 ZINC001141459976 1378329507 /nfs/dbraw/zinc/32/95/07/1378329507.db2.gz DBGACBOUFCINSV-UHFFFAOYSA-N 2 1 330.398 3.048 20 0 EGADMP Cc1cc(N2CC[NH+](Cc3cc4cccnc4cc3F)CC2)cc[nH+]1 ZINC001141637157 1378355957 /nfs/dbraw/zinc/35/59/57/1378355957.db2.gz QKYNNXIXTOGDCQ-UHFFFAOYSA-N 2 1 336.414 3.400 20 0 EGADMP CC1(C)CCC[N@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001142070483 1378410345 /nfs/dbraw/zinc/41/03/45/1378410345.db2.gz QKIJQZYLBLOBAP-IBGZPJMESA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C[C@H]2C1 ZINC001142209848 1378420364 /nfs/dbraw/zinc/42/03/64/1378420364.db2.gz WQJKVYZTHCKPKP-QZTJIDSGSA-N 2 1 330.472 3.025 20 0 EGADMP COC(=O)Cc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001142906792 1378508099 /nfs/dbraw/zinc/50/80/99/1378508099.db2.gz XBZIVQHKRYSGIS-HXUWFJFHSA-N 2 1 344.499 3.243 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCCC[NH+]1Cc1ccccc1C ZINC001282678363 1378550290 /nfs/dbraw/zinc/55/02/90/1378550290.db2.gz RJFZYXOKWAMTHY-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccccc1C ZINC001282678363 1378550292 /nfs/dbraw/zinc/55/02/92/1378550292.db2.gz RJFZYXOKWAMTHY-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@H+]1Cc1ccccc1C ZINC001282678363 1378550295 /nfs/dbraw/zinc/55/02/95/1378550295.db2.gz RJFZYXOKWAMTHY-HXUWFJFHSA-N 2 1 345.531 3.198 20 0 EGADMP C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C1C[NH+](CC2CC(C)C2)C1 ZINC001282724580 1378578340 /nfs/dbraw/zinc/57/83/40/1378578340.db2.gz IRSVRGDZDLAQKV-LXPRWKDFSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc5cc[nH]c5n4)C[C@@H]3C2)cc1 ZINC001144176808 1378692918 /nfs/dbraw/zinc/69/29/18/1378692918.db2.gz LYLCEJWTOKFHCI-BGYRXZFFSA-N 2 1 346.478 3.435 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc5cc[nH]c5n4)C[C@@H]3C2)cc1 ZINC001144176808 1378692922 /nfs/dbraw/zinc/69/29/22/1378692922.db2.gz LYLCEJWTOKFHCI-BGYRXZFFSA-N 2 1 346.478 3.435 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc5cc[nH]c5n4)C[C@@H]3C2)cc1 ZINC001144176808 1378692923 /nfs/dbraw/zinc/69/29/23/1378692923.db2.gz LYLCEJWTOKFHCI-BGYRXZFFSA-N 2 1 346.478 3.435 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc5cc[nH]c5n4)C[C@@H]3C2)cc1 ZINC001144176808 1378692926 /nfs/dbraw/zinc/69/29/26/1378692926.db2.gz LYLCEJWTOKFHCI-BGYRXZFFSA-N 2 1 346.478 3.435 20 0 EGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(-n3cccc3)cc1)CC2 ZINC001144241562 1378704148 /nfs/dbraw/zinc/70/41/48/1378704148.db2.gz WXQOYXMGNPVRRI-UHFFFAOYSA-N 2 1 338.455 3.107 20 0 EGADMP C[N@H+](Cc1ccc(O)cn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001144265046 1378707125 /nfs/dbraw/zinc/70/71/25/1378707125.db2.gz IXJGRYSHFFVHAF-UHFFFAOYSA-N 2 1 325.456 3.131 20 0 EGADMP c1[nH+]c(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c2ccccn12 ZINC001144624813 1378752054 /nfs/dbraw/zinc/75/20/54/1378752054.db2.gz RSXXJASBBRRRKA-GHTZIAJQSA-N 2 1 332.451 3.041 20 0 EGADMP c1[nH+]c(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c2ccccn12 ZINC001144624813 1378752056 /nfs/dbraw/zinc/75/20/56/1378752056.db2.gz RSXXJASBBRRRKA-GHTZIAJQSA-N 2 1 332.451 3.041 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc3scnc3c2)CC1 ZINC001144738837 1378767472 /nfs/dbraw/zinc/76/74/72/1378767472.db2.gz IAXFARFRTDEVGC-UHFFFAOYSA-N 2 1 346.544 3.146 20 0 EGADMP Cc1ccc(CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001146590806 1378872867 /nfs/dbraw/zinc/87/28/67/1378872867.db2.gz BBOGUEFFQCSVLN-RTBURBONSA-N 2 1 347.547 3.141 20 0 EGADMP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001146593822 1378872977 /nfs/dbraw/zinc/87/29/77/1378872977.db2.gz QLIVWWIJMJJBDY-QZTJIDSGSA-N 2 1 333.520 3.017 20 0 EGADMP CCCc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001146593847 1378873296 /nfs/dbraw/zinc/87/32/96/1378873296.db2.gz QQISHEBFJLBJSA-QZTJIDSGSA-N 2 1 347.547 3.352 20 0 EGADMP Cc1ccccc1CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146601650 1378875844 /nfs/dbraw/zinc/87/58/44/1378875844.db2.gz NMCHLBRQCDFABE-MOPGFXCFSA-N 2 1 347.547 3.141 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001146602358 1378875875 /nfs/dbraw/zinc/87/58/75/1378875875.db2.gz SITYRBUWBOMEFF-IAGOWNOFSA-N 2 1 337.552 3.170 20 0 EGADMP Cc1cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)c(C)s1 ZINC001146603341 1378877229 /nfs/dbraw/zinc/87/72/29/1378877229.db2.gz XEALPTAYKPEWGG-KGLIPLIRSA-N 2 1 339.549 3.078 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1CC ZINC001147359899 1379009057 /nfs/dbraw/zinc/00/90/57/1379009057.db2.gz WDFDDVHBOMRXLT-FQEVSTJZSA-N 2 1 345.531 3.109 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCc2ccccc21 ZINC001147359727 1379009333 /nfs/dbraw/zinc/00/93/33/1379009333.db2.gz URHKYPGOYQYZLG-PMACEKPBSA-N 2 1 343.515 3.034 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147742647 1379070793 /nfs/dbraw/zinc/07/07/93/1379070793.db2.gz MUCYLDUZZDHSLF-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001147742647 1379070800 /nfs/dbraw/zinc/07/08/00/1379070800.db2.gz MUCYLDUZZDHSLF-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001147742647 1379070805 /nfs/dbraw/zinc/07/08/05/1379070805.db2.gz MUCYLDUZZDHSLF-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC001283676852 1379104617 /nfs/dbraw/zinc/10/46/17/1379104617.db2.gz FUOVFCQGXIFORX-DLBZAZTESA-N 2 1 342.487 3.204 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284962 1379145879 /nfs/dbraw/zinc/14/58/79/1379145879.db2.gz LBHCSPGZUDMNBB-OEIFXAAASA-N 2 1 349.563 3.388 20 0 EGADMP CC1CC[NH+](CC(=O)N2CC3(C2)CC[N@@H+](CCCC(C)(C)C)C3)CC1 ZINC001148480986 1379182017 /nfs/dbraw/zinc/18/20/17/1379182017.db2.gz NQZZGLLRURPBAT-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001148577729 1379215945 /nfs/dbraw/zinc/21/59/45/1379215945.db2.gz AIXATCBCKHZJHG-QGZVFWFLSA-N 2 1 347.547 3.483 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC2(C1)CC[N@@H+](CCC1CCCCC1)C2 ZINC001148635506 1379232100 /nfs/dbraw/zinc/23/21/00/1379232100.db2.gz JFPPPMVFJJGYQH-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001148827869 1379277524 /nfs/dbraw/zinc/27/75/24/1379277524.db2.gz PHSPXGZTGKPSCN-PLNGDYQASA-N 2 1 347.547 3.143 20 0 EGADMP CC(C)CCC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001148833581 1379279097 /nfs/dbraw/zinc/27/90/97/1379279097.db2.gz AZZFCZBYCILWCQ-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148838905 1379279778 /nfs/dbraw/zinc/27/97/78/1379279778.db2.gz HHZYDMRPTTUIBU-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1[nH]c2ccccc2c1C1=CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC001327870258 1388611202 /nfs/dbraw/zinc/61/12/02/1388611202.db2.gz DOAVESGGLZBQGQ-SFHVURJKSA-N 2 1 341.499 3.267 20 0 EGADMP C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@H+]1CCCC1CCCC1 ZINC001284133121 1379518450 /nfs/dbraw/zinc/51/84/50/1379518450.db2.gz YZOVMRVNZMZCLF-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001152457941 1379936900 /nfs/dbraw/zinc/93/69/00/1379936900.db2.gz JDXIYNKGBQDCJD-FQEVSTJZSA-N 2 1 343.515 3.034 20 0 EGADMP CC[C@@H]([NH2+]CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC001152528240 1379945819 /nfs/dbraw/zinc/94/58/19/1379945819.db2.gz BNAAPSYGMQFTIM-WOJBJXKFSA-N 2 1 339.483 3.146 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C(=O)NC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC001153448474 1380078958 /nfs/dbraw/zinc/07/89/58/1380078958.db2.gz YHWCXSZTQZWWLS-IBGZPJMESA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC001153448474 1380078963 /nfs/dbraw/zinc/07/89/63/1380078963.db2.gz YHWCXSZTQZWWLS-IBGZPJMESA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC001153448474 1380078967 /nfs/dbraw/zinc/07/89/67/1380078967.db2.gz YHWCXSZTQZWWLS-IBGZPJMESA-N 2 1 345.531 3.134 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC2CCCCC2)CC[N@H+]1C ZINC001153464162 1380081292 /nfs/dbraw/zinc/08/12/92/1380081292.db2.gz JHAJBLNNWQDYAY-NZSAHSFTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC2CCCCC2)CC[NH+]1C ZINC001153464162 1380081295 /nfs/dbraw/zinc/08/12/95/1380081295.db2.gz JHAJBLNNWQDYAY-NZSAHSFTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC2CCCCC2)CC[NH+]1C ZINC001153464162 1380081297 /nfs/dbraw/zinc/08/12/97/1380081297.db2.gz JHAJBLNNWQDYAY-NZSAHSFTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153880058 1380148925 /nfs/dbraw/zinc/14/89/25/1380148925.db2.gz VOPJTQXSRZPBMC-HKVOBHHDSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153880058 1380148928 /nfs/dbraw/zinc/14/89/28/1380148928.db2.gz VOPJTQXSRZPBMC-HKVOBHHDSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153880058 1380148931 /nfs/dbraw/zinc/14/89/31/1380148931.db2.gz VOPJTQXSRZPBMC-HKVOBHHDSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153880057 1380149038 /nfs/dbraw/zinc/14/90/38/1380149038.db2.gz VOPJTQXSRZPBMC-FAPWYTRCSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153880057 1380149039 /nfs/dbraw/zinc/14/90/39/1380149039.db2.gz VOPJTQXSRZPBMC-FAPWYTRCSA-N 2 1 337.552 3.434 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153880057 1380149041 /nfs/dbraw/zinc/14/90/41/1380149041.db2.gz VOPJTQXSRZPBMC-FAPWYTRCSA-N 2 1 337.552 3.434 20 0 EGADMP CC[N@@H+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154034204 1380187004 /nfs/dbraw/zinc/18/70/04/1380187004.db2.gz VODZNJUEPRZVIO-HKCWIBIESA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154034204 1380187006 /nfs/dbraw/zinc/18/70/06/1380187006.db2.gz VODZNJUEPRZVIO-HKCWIBIESA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154034204 1380187007 /nfs/dbraw/zinc/18/70/07/1380187007.db2.gz VODZNJUEPRZVIO-HKCWIBIESA-N 2 1 343.515 3.011 20 0 EGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116328 1380211914 /nfs/dbraw/zinc/21/19/14/1380211914.db2.gz INOONDNEUNFGLS-OAHLLOKOSA-N 2 1 328.460 3.049 20 0 EGADMP CC[N@@H+](CC[C@@H](C)F)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154481300 1380285702 /nfs/dbraw/zinc/28/57/02/1380285702.db2.gz MDVTZSKICIXPFI-IAGOWNOFSA-N 2 1 343.531 3.073 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154579864 1380308990 /nfs/dbraw/zinc/30/89/90/1380308990.db2.gz IMOKNMVMZYQGMW-QGZVFWFLSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CC/C=C\c1ccccc1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904200 1380374685 /nfs/dbraw/zinc/37/46/85/1380374685.db2.gz PBKHYDIRNUQDGF-BZPDREMPSA-N 2 1 345.531 3.258 20 0 EGADMP [NH3+][C@H]1CCC[C@H](Nc2[nH+]cnc3c2ccn3Cc2ccc(F)cc2)C1 ZINC001154986385 1380385365 /nfs/dbraw/zinc/38/53/65/1380385365.db2.gz SDSJYAIHTJAQQK-HOTGVXAUSA-N 2 1 339.418 3.301 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)(C)C)[NH+](CC)CC ZINC001155180913 1380420259 /nfs/dbraw/zinc/42/02/59/1380420259.db2.gz WQJNOEDJHXJIQP-SJORKVTESA-N 2 1 327.557 3.370 20 0 EGADMP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH]cnc21 ZINC001155193200 1380422432 /nfs/dbraw/zinc/42/24/32/1380422432.db2.gz ICZJUCZXAABMPX-WBVHZDCISA-N 2 1 346.519 3.237 20 0 EGADMP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH]cnc21 ZINC001155193200 1380422433 /nfs/dbraw/zinc/42/24/33/1380422433.db2.gz ICZJUCZXAABMPX-WBVHZDCISA-N 2 1 346.519 3.237 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001155237917 1380428013 /nfs/dbraw/zinc/42/80/13/1380428013.db2.gz PZSLWPYBZLIMOU-APWZRJJASA-N 2 1 343.531 3.216 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001155237917 1380428015 /nfs/dbraw/zinc/42/80/15/1380428015.db2.gz PZSLWPYBZLIMOU-APWZRJJASA-N 2 1 343.531 3.216 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001155237917 1380428016 /nfs/dbraw/zinc/42/80/16/1380428016.db2.gz PZSLWPYBZLIMOU-APWZRJJASA-N 2 1 343.531 3.216 20 0 EGADMP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155254893 1380429278 /nfs/dbraw/zinc/42/92/78/1380429278.db2.gz IDZHFXXREWRAQS-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001155254893 1380429280 /nfs/dbraw/zinc/42/92/80/1380429280.db2.gz IDZHFXXREWRAQS-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001155254893 1380429282 /nfs/dbraw/zinc/42/92/82/1380429282.db2.gz IDZHFXXREWRAQS-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(Cl)c1)[NH+](C)C ZINC001155289443 1380433937 /nfs/dbraw/zinc/43/39/37/1380433937.db2.gz SQEDOWFERIAEJX-PBHICJAKSA-N 2 1 339.911 3.007 20 0 EGADMP Cc1ccc2c(C)cc(N3CCC[C@H]([NH+]4CC(C[NH3+])C4)C3)nc2c1C ZINC001155381213 1380443666 /nfs/dbraw/zinc/44/36/66/1380443666.db2.gz BTOASSGKUWMJSW-SFHVURJKSA-N 2 1 338.499 3.019 20 0 EGADMP Cc1ccc2c(C)cc(N3CCC[C@@H]([NH+]4CC(C[NH3+])C4)C3)nc2c1C ZINC001155381212 1380443771 /nfs/dbraw/zinc/44/37/71/1380443771.db2.gz BTOASSGKUWMJSW-GOSISDBHSA-N 2 1 338.499 3.019 20 0 EGADMP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155558740 1380467839 /nfs/dbraw/zinc/46/78/39/1380467839.db2.gz FFSQMXAGISHCAM-KBOKABMXSA-N 2 1 334.508 3.189 20 0 EGADMP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155558740 1380467840 /nfs/dbraw/zinc/46/78/40/1380467840.db2.gz FFSQMXAGISHCAM-KBOKABMXSA-N 2 1 334.508 3.189 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CCC ZINC001156517133 1380587320 /nfs/dbraw/zinc/58/73/20/1380587320.db2.gz NKZMYLSWXRSSBK-RXQFDZFGSA-N 2 1 325.541 3.291 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)CC[N@H+](C)CCC ZINC001156517133 1380587321 /nfs/dbraw/zinc/58/73/21/1380587321.db2.gz NKZMYLSWXRSSBK-RXQFDZFGSA-N 2 1 325.541 3.291 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)CCC ZINC001156517133 1380587324 /nfs/dbraw/zinc/58/73/24/1380587324.db2.gz NKZMYLSWXRSSBK-RXQFDZFGSA-N 2 1 325.541 3.291 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1cc(C)sc1C ZINC001156530663 1380589353 /nfs/dbraw/zinc/58/93/53/1380589353.db2.gz SLINFYGSRZOLDU-CQSZACIVSA-N 2 1 339.549 3.033 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C)sc1C ZINC001156530663 1380589355 /nfs/dbraw/zinc/58/93/55/1380589355.db2.gz SLINFYGSRZOLDU-CQSZACIVSA-N 2 1 339.549 3.033 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C)sc1C ZINC001156530663 1380589357 /nfs/dbraw/zinc/58/93/57/1380589357.db2.gz SLINFYGSRZOLDU-CQSZACIVSA-N 2 1 339.549 3.033 20 0 EGADMP CC[N@@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)Cn1ccnc1C ZINC001156942324 1380735527 /nfs/dbraw/zinc/73/55/27/1380735527.db2.gz LJRICSMSPRLOQF-QGZVFWFLSA-N 2 1 348.535 3.379 20 0 EGADMP CC[N@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942324 1380735530 /nfs/dbraw/zinc/73/55/30/1380735530.db2.gz LJRICSMSPRLOQF-QGZVFWFLSA-N 2 1 348.535 3.379 20 0 EGADMP CC[N@@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942324 1380735537 /nfs/dbraw/zinc/73/55/37/1380735537.db2.gz LJRICSMSPRLOQF-QGZVFWFLSA-N 2 1 348.535 3.379 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](CC)CC2CCC2)o1 ZINC001157241363 1380821963 /nfs/dbraw/zinc/82/19/63/1380821963.db2.gz KYFOXBOVTTWQMM-MRXNPFEDSA-N 2 1 349.519 3.362 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CCC[NH+](C)[C@H]3C2)nc1 ZINC001157281272 1380831323 /nfs/dbraw/zinc/83/13/23/1380831323.db2.gz DZFRGJHXGWWVEL-QRVBRYPASA-N 2 1 328.504 3.159 20 0 EGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)nc1 ZINC001157281272 1380831329 /nfs/dbraw/zinc/83/13/29/1380831329.db2.gz DZFRGJHXGWWVEL-QRVBRYPASA-N 2 1 328.504 3.159 20 0 EGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)nc1 ZINC001157281272 1380831331 /nfs/dbraw/zinc/83/13/31/1380831331.db2.gz DZFRGJHXGWWVEL-QRVBRYPASA-N 2 1 328.504 3.159 20 0 EGADMP C[N@H+](Cc1ccc(-n2ccc(C[NH2+]Cc3ccccc3)n2)nc1)C1CC1 ZINC001157616724 1380984280 /nfs/dbraw/zinc/98/42/80/1380984280.db2.gz XXWDRCIGQCPWJC-UHFFFAOYSA-N 2 1 347.466 3.151 20 0 EGADMP C[N@@H+](Cc1ccc(-n2ccc(C[NH2+]Cc3ccccc3)n2)nc1)C1CC1 ZINC001157616724 1380984282 /nfs/dbraw/zinc/98/42/82/1380984282.db2.gz XXWDRCIGQCPWJC-UHFFFAOYSA-N 2 1 347.466 3.151 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCC2CCCC2)CC[N@H+]1C ZINC001157977773 1381091012 /nfs/dbraw/zinc/09/10/12/1381091012.db2.gz HTHCWWCKTDSKBK-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CCC2CCCC2)CC[NH+]1C ZINC001157977773 1381091023 /nfs/dbraw/zinc/09/10/23/1381091023.db2.gz HTHCWWCKTDSKBK-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCC2CCCC2)CC[NH+]1C ZINC001157977773 1381091030 /nfs/dbraw/zinc/09/10/30/1381091030.db2.gz HTHCWWCKTDSKBK-MISYRCLQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158228170 1381167381 /nfs/dbraw/zinc/16/73/81/1381167381.db2.gz XHZHJAHERQQIKG-LJQANCHMSA-N 2 1 342.487 3.307 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3cc(F)cc4ccc(Cl)nc43)CC2)C1 ZINC001158261545 1381176255 /nfs/dbraw/zinc/17/62/55/1381176255.db2.gz NFZGVVJZANXQGJ-CQSZACIVSA-N 2 1 348.853 3.029 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](C2CCN(c3cc(F)cc4ccc(Cl)nc43)CC2)C1 ZINC001158261545 1381176262 /nfs/dbraw/zinc/17/62/62/1381176262.db2.gz NFZGVVJZANXQGJ-CQSZACIVSA-N 2 1 348.853 3.029 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1CCC1CCCC1 ZINC001328280701 1388711339 /nfs/dbraw/zinc/71/13/39/1388711339.db2.gz AEAWTLQRUBQCIO-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CC(C)C ZINC001158605437 1381315859 /nfs/dbraw/zinc/31/58/59/1381315859.db2.gz YIYGAGZAPRBAHA-LJQANCHMSA-N 2 1 339.568 3.467 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(C)C ZINC001158605437 1381315865 /nfs/dbraw/zinc/31/58/65/1381315865.db2.gz YIYGAGZAPRBAHA-LJQANCHMSA-N 2 1 339.568 3.467 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(C)C ZINC001158605437 1381315880 /nfs/dbraw/zinc/31/58/80/1381315880.db2.gz YIYGAGZAPRBAHA-LJQANCHMSA-N 2 1 339.568 3.467 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001328281956 1388713679 /nfs/dbraw/zinc/71/36/79/1388713679.db2.gz FEIPJQKKVDEHIL-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001328281956 1388713681 /nfs/dbraw/zinc/71/36/81/1388713681.db2.gz FEIPJQKKVDEHIL-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001328281956 1388713683 /nfs/dbraw/zinc/71/36/83/1388713683.db2.gz FEIPJQKKVDEHIL-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP C[N@@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158751562 1381383255 /nfs/dbraw/zinc/38/32/55/1381383255.db2.gz YKRHTRGNOMZMTL-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001158751562 1381383258 /nfs/dbraw/zinc/38/32/58/1381383258.db2.gz YKRHTRGNOMZMTL-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001158751562 1381383261 /nfs/dbraw/zinc/38/32/61/1381383261.db2.gz YKRHTRGNOMZMTL-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC(C)C ZINC001158786707 1381398404 /nfs/dbraw/zinc/39/84/04/1381398404.db2.gz GHJLKVBXFOQRON-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC(C)C ZINC001158786707 1381398407 /nfs/dbraw/zinc/39/84/07/1381398407.db2.gz GHJLKVBXFOQRON-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CCC(C)C ZINC001158780937 1381395644 /nfs/dbraw/zinc/39/56/44/1381395644.db2.gz GKUMUQARSIQUKR-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)C ZINC001158780937 1381395647 /nfs/dbraw/zinc/39/56/47/1381395647.db2.gz GKUMUQARSIQUKR-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)C ZINC001158780937 1381395650 /nfs/dbraw/zinc/39/56/50/1381395650.db2.gz GKUMUQARSIQUKR-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CCCC(C)C ZINC001158786707 1381398396 /nfs/dbraw/zinc/39/83/96/1381398396.db2.gz GHJLKVBXFOQRON-GOSISDBHSA-N 2 1 325.541 3.077 20 0 EGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(C)C(C)(C)C[NH3+])n1 ZINC001159055839 1381547858 /nfs/dbraw/zinc/54/78/58/1381547858.db2.gz YSODAOYBXBAKHU-UHFFFAOYSA-N 2 1 349.548 3.323 20 0 EGADMP CC[NH+](CC)c1ccc(Nc2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC001159164599 1381693689 /nfs/dbraw/zinc/69/36/89/1381693689.db2.gz NJJVTIPOPKLFOU-UHFFFAOYSA-N 2 1 325.460 3.081 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159909187 1381934073 /nfs/dbraw/zinc/93/40/73/1381934073.db2.gz KYUYQXIXEWWXKN-FQEVSTJZSA-N 2 1 349.563 3.460 20 0 EGADMP O=C(NCCC[NH2+]CC1CCCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159923408 1381938688 /nfs/dbraw/zinc/93/86/88/1381938688.db2.gz FBJANZYTMBSPLX-LJQANCHMSA-N 2 1 335.536 3.070 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1cc(F)ccc1OC1CC[NH2+]CC1 ZINC001160134842 1382010674 /nfs/dbraw/zinc/01/06/74/1382010674.db2.gz QBBNFBBUZJHPDH-UHFFFAOYSA-N 2 1 344.434 3.470 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160273101 1382058392 /nfs/dbraw/zinc/05/83/92/1382058392.db2.gz HOANEWBKAJPNSW-LJQANCHMSA-N 2 1 345.531 3.280 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001160285553 1382061073 /nfs/dbraw/zinc/06/10/73/1382061073.db2.gz HKTJVSPYCGSMBD-XJDXJNMNSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160285553 1382061078 /nfs/dbraw/zinc/06/10/78/1382061078.db2.gz HKTJVSPYCGSMBD-XJDXJNMNSA-N 2 1 347.547 3.356 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160285553 1382061085 /nfs/dbraw/zinc/06/10/85/1382061085.db2.gz HKTJVSPYCGSMBD-XJDXJNMNSA-N 2 1 347.547 3.356 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001160290848 1382062997 /nfs/dbraw/zinc/06/29/97/1382062997.db2.gz ANQPKLCXSLXWOP-UHFFFAOYSA-N 2 1 349.544 3.218 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)C1 ZINC001160369230 1382086132 /nfs/dbraw/zinc/08/61/32/1382086132.db2.gz VKSSBZJCKUFFKM-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CC(=O)NCCC1=CC[NH+](CCCC2CCC2)CC1)C1CCC1 ZINC001160379251 1382087523 /nfs/dbraw/zinc/08/75/23/1382087523.db2.gz FQWMIEWJLRXATQ-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+](CC(=O)NCCC1=CC[N@H+](CCCC2CCC2)CC1)C1CCC1 ZINC001160379251 1382087530 /nfs/dbraw/zinc/08/75/30/1382087530.db2.gz FQWMIEWJLRXATQ-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+](CC(=O)NCCC1=CC[N@@H+](CCCC2CCC2)CC1)C1CCC1 ZINC001160379251 1382087535 /nfs/dbraw/zinc/08/75/35/1382087535.db2.gz FQWMIEWJLRXATQ-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP CCCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160386242 1382090142 /nfs/dbraw/zinc/09/01/42/1382090142.db2.gz OUYXXSWRDIIIOB-UHFFFAOYSA-N 2 1 335.536 3.189 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001160386242 1382090146 /nfs/dbraw/zinc/09/01/46/1382090146.db2.gz OUYXXSWRDIIIOB-UHFFFAOYSA-N 2 1 335.536 3.189 20 0 EGADMP CCCCCC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001160386242 1382090151 /nfs/dbraw/zinc/09/01/51/1382090151.db2.gz OUYXXSWRDIIIOB-UHFFFAOYSA-N 2 1 335.536 3.189 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160467890 1382114327 /nfs/dbraw/zinc/11/43/27/1382114327.db2.gz YPMUQGWWMDQLSK-UXHICEINSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160467890 1382114331 /nfs/dbraw/zinc/11/43/31/1382114331.db2.gz YPMUQGWWMDQLSK-UXHICEINSA-N 2 1 345.531 3.108 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160467890 1382114335 /nfs/dbraw/zinc/11/43/35/1382114335.db2.gz YPMUQGWWMDQLSK-UXHICEINSA-N 2 1 345.531 3.108 20 0 EGADMP CC[C@H](C(=O)NCCC1=CC[N@@H+](CCC2CCCC2)CC1)[NH+](C)C ZINC001160478872 1382117867 /nfs/dbraw/zinc/11/78/67/1382117867.db2.gz BYDIACHIFIYMJA-LJQANCHMSA-N 2 1 335.536 3.045 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001160499642 1382124569 /nfs/dbraw/zinc/12/45/69/1382124569.db2.gz FVDYYEHCSJNIMW-LJQANCHMSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001160499642 1382124573 /nfs/dbraw/zinc/12/45/73/1382124573.db2.gz FVDYYEHCSJNIMW-LJQANCHMSA-N 2 1 347.547 3.045 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001160499642 1382124578 /nfs/dbraw/zinc/12/45/78/1382124578.db2.gz FVDYYEHCSJNIMW-LJQANCHMSA-N 2 1 347.547 3.045 20 0 EGADMP COc1ccc2c[nH+]c(N[C@H]3CC[NH2+]C[C@@H]3C(F)(F)F)cc2c1 ZINC001160742747 1382184311 /nfs/dbraw/zinc/18/43/11/1382184311.db2.gz VQVABJVLWMRXQU-KBPBESRZSA-N 2 1 325.334 3.196 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160804424 1382201787 /nfs/dbraw/zinc/20/17/87/1382201787.db2.gz KPVHUAPLOWEJBB-GOSISDBHSA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160856935 1382217680 /nfs/dbraw/zinc/21/76/80/1382217680.db2.gz SFPDLCHVQUCUGW-AATRIKPKSA-N 2 1 347.547 3.356 20 0 EGADMP CC(C)(C)[C@H](C[NH3+])Nc1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001160913279 1382232098 /nfs/dbraw/zinc/23/20/98/1382232098.db2.gz LBWFWDOLRYUTHL-IBGZPJMESA-N 2 1 338.499 3.425 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-n2cc(CC[NH3+])c3c[nH+]ccc32)nc1 ZINC001160952362 1382249025 /nfs/dbraw/zinc/24/90/25/1382249025.db2.gz XJKRIBXUZZOXKC-LJQANCHMSA-N 3 1 349.482 3.469 20 0 EGADMP CC[N@@H+]1CCCC[C@@H]1c1ccc(-n2cc(CC[NH3+])c3cnccc32)nc1 ZINC001160952362 1382249030 /nfs/dbraw/zinc/24/90/30/1382249030.db2.gz XJKRIBXUZZOXKC-LJQANCHMSA-N 2 1 349.482 3.469 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-n2cc(CC[NH3+])c3cnccc32)nc1 ZINC001160952362 1382249035 /nfs/dbraw/zinc/24/90/35/1382249035.db2.gz XJKRIBXUZZOXKC-LJQANCHMSA-N 2 1 349.482 3.469 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCCC2=CC[NH+](CCC(C)(C)C)CC2)CC[N@H+]1C ZINC001161008653 1382270026 /nfs/dbraw/zinc/27/00/26/1382270026.db2.gz URMSJQFGSFWAQI-HKUYNNGSSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCCC2=CC[N@H+](CCC(C)(C)C)CC2)CC[NH+]1C ZINC001161008653 1382270032 /nfs/dbraw/zinc/27/00/32/1382270032.db2.gz URMSJQFGSFWAQI-HKUYNNGSSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCCC2=CC[N@@H+](CCC(C)(C)C)CC2)CC[NH+]1C ZINC001161008653 1382270037 /nfs/dbraw/zinc/27/00/37/1382270037.db2.gz URMSJQFGSFWAQI-HKUYNNGSSA-N 2 1 349.563 3.291 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC1=CC[NH+](CCCC2CCC2)CC1 ZINC001161206344 1382340823 /nfs/dbraw/zinc/34/08/23/1382340823.db2.gz ITDALNGOQDITNG-GOSISDBHSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@H+](CCCC2CCC2)CC1 ZINC001161206344 1382340827 /nfs/dbraw/zinc/34/08/27/1382340827.db2.gz ITDALNGOQDITNG-GOSISDBHSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)NCCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001161206344 1382340829 /nfs/dbraw/zinc/34/08/29/1382340829.db2.gz ITDALNGOQDITNG-GOSISDBHSA-N 2 1 347.547 3.189 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001161219957 1382347350 /nfs/dbraw/zinc/34/73/50/1382347350.db2.gz RWLOEUCPOOBLPN-ZMBJWTFHSA-N 2 1 347.547 3.213 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1)C(C)C ZINC001161490894 1382420941 /nfs/dbraw/zinc/42/09/41/1382420941.db2.gz ALNLMHCMVVPWCF-HXUWFJFHSA-N 2 1 349.563 3.291 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1)C(C)C ZINC001161491681 1382421792 /nfs/dbraw/zinc/42/17/92/1382421792.db2.gz LJCVGTLBVAADPG-HXUWFJFHSA-N 2 1 349.563 3.291 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]CCCC1CCC1 ZINC001161525263 1382430499 /nfs/dbraw/zinc/43/04/99/1382430499.db2.gz ZQCHJCLTPKMKHD-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001161645121 1382468382 /nfs/dbraw/zinc/46/83/82/1382468382.db2.gz YQJYKNPONLVRRR-HXUWFJFHSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001161649284 1382470205 /nfs/dbraw/zinc/47/02/05/1382470205.db2.gz AXZIJWJEWZZRBL-IBGZPJMESA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)(C)CC[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161931343 1382559172 /nfs/dbraw/zinc/55/91/72/1382559172.db2.gz MHJDYHAMSNKYBD-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCCC[N@H+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161946886 1382566280 /nfs/dbraw/zinc/56/62/80/1382566280.db2.gz KKJFRBAOZIWSDN-FQEVSTJZSA-N 2 1 343.515 3.228 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161946886 1382566290 /nfs/dbraw/zinc/56/62/90/1382566290.db2.gz KKJFRBAOZIWSDN-FQEVSTJZSA-N 2 1 343.515 3.228 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC=C(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001161946925 1382566537 /nfs/dbraw/zinc/56/65/37/1382566537.db2.gz MGRAQCOQNWKXNP-GOSISDBHSA-N 2 1 337.552 3.147 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001161946925 1382566543 /nfs/dbraw/zinc/56/65/43/1382566543.db2.gz MGRAQCOQNWKXNP-GOSISDBHSA-N 2 1 337.552 3.147 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161953009 1382569659 /nfs/dbraw/zinc/56/96/59/1382569659.db2.gz OKEOERNUJGBMAG-MJGOQNOKSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001161953009 1382569663 /nfs/dbraw/zinc/56/96/63/1382569663.db2.gz OKEOERNUJGBMAG-MJGOQNOKSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001161953009 1382569667 /nfs/dbraw/zinc/56/96/67/1382569667.db2.gz OKEOERNUJGBMAG-MJGOQNOKSA-N 2 1 335.536 3.045 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC001328676755 1388804685 /nfs/dbraw/zinc/80/46/85/1388804685.db2.gz GHNMWGGEBOERHO-INIZCTEOSA-N 2 1 336.549 3.439 20 0 EGADMP C[C@@]1(O)CC[C@@H](Nc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)CC1 ZINC001162359865 1382740029 /nfs/dbraw/zinc/74/00/29/1382740029.db2.gz OSYLVQIRPCQFBD-WRWLIDTKSA-N 2 1 342.487 3.456 20 0 EGADMP [NH3+][C@H]1Cc2ccccc2N(c2c[nH+]c3cc(Br)ccn32)C1 ZINC001162850953 1382894670 /nfs/dbraw/zinc/89/46/70/1382894670.db2.gz VALRXJMRNXKHOY-ZDUSSCGKSA-N 2 1 343.228 3.118 20 0 EGADMP COc1[nH+]ccc(N[C@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)c1N ZINC001163032665 1382951723 /nfs/dbraw/zinc/95/17/23/1382951723.db2.gz XZGATRSQVYODPD-KRWDZBQOSA-N 2 1 338.455 3.159 20 0 EGADMP c1cn(Cc2ccccc2)c2c1cc[nH+]c2N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163261691 1383007455 /nfs/dbraw/zinc/00/74/55/1383007455.db2.gz JPQFOTVZFHYYPP-QYZOEREBSA-N 2 1 332.451 3.495 20 0 EGADMP CN(CCC[NH+](C)C)c1[nH+]cnc2c1ccn2Cc1ccc(F)cc1 ZINC001163595579 1383085478 /nfs/dbraw/zinc/08/54/78/1383085478.db2.gz KEHIEXDMUNAUSI-UHFFFAOYSA-N 2 1 341.434 3.007 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CCC2CCCCCC2)CC1 ZINC001163822216 1383125841 /nfs/dbraw/zinc/12/58/41/1383125841.db2.gz VSBNBKIAEQAFQK-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001164449588 1383187897 /nfs/dbraw/zinc/18/78/97/1383187897.db2.gz NATYPCSAAJASTK-FQEVSTJZSA-N 2 1 345.531 3.021 20 0 EGADMP C[C@H]([NH3+])c1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC001164499132 1383193868 /nfs/dbraw/zinc/19/38/68/1383193868.db2.gz LQOUEBARONKRNU-YYKUARIBSA-N 2 1 336.483 3.424 20 0 EGADMP CCC(CC)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164500968 1383194004 /nfs/dbraw/zinc/19/40/04/1383194004.db2.gz MGOLNWXWKFQRJX-IBGZPJMESA-N 2 1 337.552 3.316 20 0 EGADMP Cn1ccc2c1cc[nH+]c2N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001165083476 1383223910 /nfs/dbraw/zinc/22/39/10/1383223910.db2.gz GKDCMIWBLDYLNK-XLIONFOSSA-N 2 1 332.451 3.284 20 0 EGADMP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3[nH+]ccn3CC2)nc1 ZINC001165164678 1383240480 /nfs/dbraw/zinc/24/04/80/1383240480.db2.gz MIMGQWJGOXHSLL-SFHVURJKSA-N 2 1 339.487 3.278 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3[nH+]ccn3CC2)nc1 ZINC001165164678 1383240482 /nfs/dbraw/zinc/24/04/82/1383240482.db2.gz MIMGQWJGOXHSLL-SFHVURJKSA-N 2 1 339.487 3.278 20 0 EGADMP C[N@H+]1CCC[C@@H](CCNc2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)C1 ZINC001165289924 1383267045 /nfs/dbraw/zinc/26/70/45/1383267045.db2.gz MAQPHSFENHSIQS-IBGZPJMESA-N 3 1 344.547 3.001 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165485378 1383301634 /nfs/dbraw/zinc/30/16/34/1383301634.db2.gz TYGVDQJHLGCGEZ-LJQANCHMSA-N 2 1 349.563 3.460 20 0 EGADMP C[N@@H+](CC(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1)C1CCC1 ZINC001165502200 1383303688 /nfs/dbraw/zinc/30/36/88/1383303688.db2.gz YGPYGIZLHUZYDK-UHFFFAOYSA-N 2 1 349.563 3.317 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001165809519 1383348700 /nfs/dbraw/zinc/34/87/00/1383348700.db2.gz IWMZGYVNBIUXRV-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001165809842 1383348874 /nfs/dbraw/zinc/34/88/74/1383348874.db2.gz QFQBSTSKQVRXCI-QGZVFWFLSA-N 2 1 339.568 3.275 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165927298 1383366349 /nfs/dbraw/zinc/36/63/49/1383366349.db2.gz ZRZWADPUKQKOPV-ZMBJWTFHSA-N 2 1 349.563 3.339 20 0 EGADMP Cc1[nH+]ccn1-c1cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)ncn1 ZINC001166890100 1383494684 /nfs/dbraw/zinc/49/46/84/1383494684.db2.gz XKMIANLFISNBAX-GOSISDBHSA-N 2 1 348.454 3.220 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001167240928 1383573509 /nfs/dbraw/zinc/57/35/09/1383573509.db2.gz WEOFRBZCEKCWPR-BQYQJAHWSA-N 2 1 337.552 3.197 20 0 EGADMP CS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001328791545 1388866061 /nfs/dbraw/zinc/86/60/61/1388866061.db2.gz FVZGWVMBLYBTTD-RTBURBONSA-N 2 1 334.529 3.235 20 0 EGADMP CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001328791545 1388866065 /nfs/dbraw/zinc/86/60/65/1388866065.db2.gz FVZGWVMBLYBTTD-RTBURBONSA-N 2 1 334.529 3.235 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001167426072 1383630824 /nfs/dbraw/zinc/63/08/24/1383630824.db2.gz PBTQXQLRPZLFAI-INIZCTEOSA-N 2 1 334.508 3.045 20 0 EGADMP O=C(NCCC1(C[NH2+]CC2CCCC2)CC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001167426739 1383631367 /nfs/dbraw/zinc/63/13/67/1383631367.db2.gz YEDUVAFGDZTPFB-MOPGFXCFSA-N 2 1 347.547 3.070 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001167472230 1383643215 /nfs/dbraw/zinc/64/32/15/1383643215.db2.gz VWUKZBPLVZZXKB-QGZVFWFLSA-N 2 1 342.487 3.172 20 0 EGADMP C[C@@H](C(=O)Nc1c[nH+]ccc1Nc1ccccc1)[NH+]1[C@H](C)CC[C@H]1C ZINC001300171451 1383650238 /nfs/dbraw/zinc/65/02/38/1383650238.db2.gz JNEYLYLSRSWHOA-OAGGEKHMSA-N 2 1 338.455 3.447 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001167626934 1383692931 /nfs/dbraw/zinc/69/29/31/1383692931.db2.gz HUHBJEPFDMFFMU-LJQANCHMSA-N 2 1 337.552 3.316 20 0 EGADMP Cc1[nH+]c(N)ccc1CNc1ccc(C[N@H+]2CCCC[C@H]2C)cn1 ZINC001167785260 1383740862 /nfs/dbraw/zinc/74/08/62/1383740862.db2.gz NGSIPJOJOSMZTL-CQSZACIVSA-N 2 1 325.460 3.354 20 0 EGADMP Cc1[nH+]c(N)ccc1CNc1ccc(C[N@@H+]2CCCC[C@H]2C)cn1 ZINC001167785260 1383740864 /nfs/dbraw/zinc/74/08/64/1383740864.db2.gz NGSIPJOJOSMZTL-CQSZACIVSA-N 2 1 325.460 3.354 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@]2(CCCCN2C(C)=O)C1 ZINC001167826275 1383750458 /nfs/dbraw/zinc/75/04/58/1383750458.db2.gz OERVITYREVPKJQ-AZUAARDMSA-N 2 1 337.552 3.364 20 0 EGADMP CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C2 ZINC001167825760 1383750503 /nfs/dbraw/zinc/75/05/03/1383750503.db2.gz TVMUIGWKEMVBNA-GBESFXJTSA-N 2 1 326.525 3.157 20 0 EGADMP CC(C)C[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975411 1383784125 /nfs/dbraw/zinc/78/41/25/1383784125.db2.gz ORXPAOCYJPBJGS-SEJPIABJSA-N 3 1 333.564 3.349 20 0 EGADMP CC(C)c1nc(CC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)no1 ZINC001167982835 1383786688 /nfs/dbraw/zinc/78/66/88/1383786688.db2.gz BWCPLRUPZZNXIQ-SJPCQFCGSA-N 2 1 332.492 3.073 20 0 EGADMP CC(C)c1nc(CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)no1 ZINC001167982835 1383786696 /nfs/dbraw/zinc/78/66/96/1383786696.db2.gz BWCPLRUPZZNXIQ-SJPCQFCGSA-N 2 1 332.492 3.073 20 0 EGADMP CC(C)c1nc(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)no1 ZINC001167982835 1383786700 /nfs/dbraw/zinc/78/67/00/1383786700.db2.gz BWCPLRUPZZNXIQ-SJPCQFCGSA-N 2 1 332.492 3.073 20 0 EGADMP CC(C)c1nc(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)no1 ZINC001167982835 1383786705 /nfs/dbraw/zinc/78/67/05/1383786705.db2.gz BWCPLRUPZZNXIQ-SJPCQFCGSA-N 2 1 332.492 3.073 20 0 EGADMP C[N@H+]1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H](c2ccccc2)C1 ZINC001167984429 1383787423 /nfs/dbraw/zinc/78/74/23/1383787423.db2.gz OSXUIIBMYRUPOV-PJEZACDQSA-N 2 1 339.527 3.381 20 0 EGADMP C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@H](c2ccccc2)C1 ZINC001167984429 1383787428 /nfs/dbraw/zinc/78/74/28/1383787428.db2.gz OSXUIIBMYRUPOV-PJEZACDQSA-N 2 1 339.527 3.381 20 0 EGADMP C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@H](c2ccccc2)C1 ZINC001167984429 1383787431 /nfs/dbraw/zinc/78/74/31/1383787431.db2.gz OSXUIIBMYRUPOV-PJEZACDQSA-N 2 1 339.527 3.381 20 0 EGADMP O=C1c2ccccc2[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@H]12 ZINC001167987964 1383788909 /nfs/dbraw/zinc/78/89/09/1383788909.db2.gz NVVZJMYAALYGQI-FMSCBOOZSA-N 2 1 336.479 3.304 20 0 EGADMP O=C1c2ccccc2[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@H]12 ZINC001167987964 1383788913 /nfs/dbraw/zinc/78/89/13/1383788913.db2.gz NVVZJMYAALYGQI-FMSCBOOZSA-N 2 1 336.479 3.304 20 0 EGADMP O=C1c2ccccc2[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@H]12 ZINC001167987964 1383788918 /nfs/dbraw/zinc/78/89/18/1383788918.db2.gz NVVZJMYAALYGQI-FMSCBOOZSA-N 2 1 336.479 3.304 20 0 EGADMP CCOC(=O)CCC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995602 1383791723 /nfs/dbraw/zinc/79/17/23/1383791723.db2.gz KMLFPQLTLAFOSL-YOFSQIOKSA-N 2 1 348.531 3.447 20 0 EGADMP CCNC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168067986 1383809618 /nfs/dbraw/zinc/80/96/18/1383809618.db2.gz VZSZPDHWEWCHRM-HNJRGHQBSA-N 2 1 343.515 3.029 20 0 EGADMP CCNC(=O)[C@@H]1CCC[N@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168067986 1383809620 /nfs/dbraw/zinc/80/96/20/1383809620.db2.gz VZSZPDHWEWCHRM-HNJRGHQBSA-N 2 1 343.515 3.029 20 0 EGADMP CCNC(=O)[C@@H]1CCC[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168067986 1383809623 /nfs/dbraw/zinc/80/96/23/1383809623.db2.gz VZSZPDHWEWCHRM-HNJRGHQBSA-N 2 1 343.515 3.029 20 0 EGADMP CCNC(=O)[C@@H]1CCC[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168067986 1383809627 /nfs/dbraw/zinc/80/96/27/1383809627.db2.gz VZSZPDHWEWCHRM-HNJRGHQBSA-N 2 1 343.515 3.029 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CCO1 ZINC001168092107 1383814740 /nfs/dbraw/zinc/81/47/40/1383814740.db2.gz PICQBFVTYARIKG-RPEZGYRVSA-N 2 1 334.463 3.130 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)CC1 ZINC001168321459 1383872137 /nfs/dbraw/zinc/87/21/37/1383872137.db2.gz HONCHYUDJWTHSA-LADRWXRNSA-N 2 1 347.528 3.050 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001168322688 1383872302 /nfs/dbraw/zinc/87/23/02/1383872302.db2.gz VYPIUHUJSJHGIW-HZGZPEGRSA-N 2 1 343.515 3.435 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001168322958 1383872535 /nfs/dbraw/zinc/87/25/35/1383872535.db2.gz KQUUPDKNJNVPEA-GTPINHCMSA-N 2 1 339.524 3.096 20 0 EGADMP COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)C1CCC([NH+](C)C)CC1 ZINC001168327869 1383874119 /nfs/dbraw/zinc/87/41/19/1383874119.db2.gz RPZJEASDBQYRSF-IPJUCJBFSA-N 2 1 334.504 3.405 20 0 EGADMP C[NH+](C)C1CCC([N@@H+](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001168329412 1383874141 /nfs/dbraw/zinc/87/41/41/1383874141.db2.gz SLRPRENQYDRBLT-JCYILVPMSA-N 2 1 339.524 3.191 20 0 EGADMP CCC1(CNc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)COC1 ZINC001168327999 1383874240 /nfs/dbraw/zinc/87/42/40/1383874240.db2.gz YCIGGENMAGLTCA-INIZCTEOSA-N 2 1 328.460 3.189 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001168330558 1383875003 /nfs/dbraw/zinc/87/50/03/1383875003.db2.gz RWYQCIXGCUGBNB-WCHWRFHJSA-N 2 1 327.516 3.066 20 0 EGADMP CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001168387725 1383892005 /nfs/dbraw/zinc/89/20/05/1383892005.db2.gz RDNXOTDDDMRPQQ-QFIPXVFZSA-N 2 1 341.543 3.457 20 0 EGADMP C[N@H+](C1CCOCC1)C1CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168440602 1383906781 /nfs/dbraw/zinc/90/67/81/1383906781.db2.gz JWMNGMQHPTXFFN-NRFANRHFSA-N 2 1 346.490 3.258 20 0 EGADMP C[N@@H+](C1CCOCC1)C1CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168440602 1383906784 /nfs/dbraw/zinc/90/67/84/1383906784.db2.gz JWMNGMQHPTXFFN-NRFANRHFSA-N 2 1 346.490 3.258 20 0 EGADMP C[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001168456535 1383911143 /nfs/dbraw/zinc/91/11/43/1383911143.db2.gz SXOXYGCOLFYPPK-QGZVFWFLSA-N 2 1 342.458 3.379 20 0 EGADMP CC[NH+](CC)CC[C@H](C)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC001306909387 1383919166 /nfs/dbraw/zinc/91/91/66/1383919166.db2.gz KETJNIQELYPPAO-FXAWDEMLSA-N 2 1 345.531 3.346 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001168595306 1383944443 /nfs/dbraw/zinc/94/44/43/1383944443.db2.gz IQTVLHIVBDPECX-UHFFFAOYSA-N 2 1 327.557 3.421 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]CCCc1ccccc1 ZINC001168615649 1383948964 /nfs/dbraw/zinc/94/89/64/1383948964.db2.gz QTNNLOCAZHIKSW-UHFFFAOYSA-N 2 1 347.547 3.227 20 0 EGADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168705261 1383975003 /nfs/dbraw/zinc/97/50/03/1383975003.db2.gz UAIZWPHIFUXOAK-HNNXBMFYSA-N 3 1 337.939 3.283 20 0 EGADMP C[C@H]1CC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@H]1CO ZINC001307951548 1384062063 /nfs/dbraw/zinc/06/20/63/1384062063.db2.gz KMEQGTRAXTZEPE-UGKGYDQZSA-N 2 1 344.543 3.282 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1-n1c2cc(Cl)ccc2nc1CCC[NH3+] ZINC001168995662 1384081831 /nfs/dbraw/zinc/08/18/31/1384081831.db2.gz KYNGCLSJICQNMB-UHFFFAOYSA-N 2 1 343.862 3.340 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1)C2 ZINC001169107178 1384107862 /nfs/dbraw/zinc/10/78/62/1384107862.db2.gz FTTVNRWQTSVTGA-PHZGNYQRSA-N 2 1 346.475 3.143 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1)C2 ZINC001169107178 1384107864 /nfs/dbraw/zinc/10/78/64/1384107864.db2.gz FTTVNRWQTSVTGA-PHZGNYQRSA-N 2 1 346.475 3.143 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(CNC(=O)OC(C)(C)C)CCCC1)C2 ZINC001169108253 1384108296 /nfs/dbraw/zinc/10/82/96/1384108296.db2.gz PSQSTLJUUWTQSB-PHZGNYQRSA-N 2 1 337.508 3.039 20 0 EGADMP C[C@H](CNC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001308200106 1384108595 /nfs/dbraw/zinc/10/85/95/1384108595.db2.gz UAARTHVRPHRDED-RBUKOAKNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153238 1384115611 /nfs/dbraw/zinc/11/56/11/1384115611.db2.gz IATQWFXNWIETGQ-RXZUFOQRSA-N 2 1 341.543 3.454 20 0 EGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1N(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153238 1384115613 /nfs/dbraw/zinc/11/56/13/1384115613.db2.gz IATQWFXNWIETGQ-RXZUFOQRSA-N 2 1 341.543 3.454 20 0 EGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1N(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153238 1384115615 /nfs/dbraw/zinc/11/56/15/1384115615.db2.gz IATQWFXNWIETGQ-RXZUFOQRSA-N 2 1 341.543 3.454 20 0 EGADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c[nH]1 ZINC001308282361 1384116228 /nfs/dbraw/zinc/11/62/28/1384116228.db2.gz JAYYOZFJLNJPKB-WMLDXEAASA-N 2 1 347.484 3.036 20 0 EGADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c[nH]1 ZINC001308282361 1384116230 /nfs/dbraw/zinc/11/62/30/1384116230.db2.gz JAYYOZFJLNJPKB-WMLDXEAASA-N 2 1 347.484 3.036 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153415 1384116369 /nfs/dbraw/zinc/11/63/69/1384116369.db2.gz IQCNAYUIOFGSEN-UWHLTILDSA-N 2 1 327.516 3.208 20 0 EGADMP CC[C@H]1C[NH+](Cc2ccccc2)CCN1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153415 1384116372 /nfs/dbraw/zinc/11/63/72/1384116372.db2.gz IQCNAYUIOFGSEN-UWHLTILDSA-N 2 1 327.516 3.208 20 0 EGADMP CC[C@H]1C[NH+](Cc2ccccc2)CCN1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153415 1384116374 /nfs/dbraw/zinc/11/63/74/1384116374.db2.gz IQCNAYUIOFGSEN-UWHLTILDSA-N 2 1 327.516 3.208 20 0 EGADMP Cc1noc(-c2ccc(C[NH2+]C3CC[NH+](C(C)(C)C)CC3)cc2)n1 ZINC001308669513 1384140629 /nfs/dbraw/zinc/14/06/29/1384140629.db2.gz OMZSIFAVNNTIHK-UHFFFAOYSA-N 2 1 328.460 3.398 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)nn1 ZINC001169683829 1384173743 /nfs/dbraw/zinc/17/37/43/1384173743.db2.gz CRCNQRHVKHWPHS-MRXNPFEDSA-N 2 1 334.427 3.211 20 0 EGADMP CCOC(=O)N1CCC[C@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001169691697 1384174268 /nfs/dbraw/zinc/17/42/68/1384174268.db2.gz GBURYNIFRSTILH-SFHVURJKSA-N 2 1 339.524 3.050 20 0 EGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169721559 1384178322 /nfs/dbraw/zinc/17/83/22/1384178322.db2.gz SGYYDFBQRHDVGQ-LJQANCHMSA-N 2 1 331.504 3.003 20 0 EGADMP CCc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001169809965 1384187634 /nfs/dbraw/zinc/18/76/34/1384187634.db2.gz MUXFAIVISQWAGA-PXNSSMCTSA-N 2 1 345.531 3.108 20 0 EGADMP CC1(C)CC([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC(C)(C)N1O ZINC001169981673 1384209488 /nfs/dbraw/zinc/20/94/88/1384209488.db2.gz ZNIWNXCCVJRUNC-BWTSREIZSA-N 2 1 343.515 3.117 20 0 EGADMP CC1(C)CC([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC(C)(C)N1O ZINC001169981673 1384209491 /nfs/dbraw/zinc/20/94/91/1384209491.db2.gz ZNIWNXCCVJRUNC-BWTSREIZSA-N 2 1 343.515 3.117 20 0 EGADMP CC[C@@H]1C[C@@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CCO1 ZINC001170236333 1384272745 /nfs/dbraw/zinc/27/27/45/1384272745.db2.gz RPBRPPAQOACQEL-LEWJYISDSA-N 2 1 328.500 3.467 20 0 EGADMP CC[C@@H]1C[C@@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CCO1 ZINC001170236333 1384272748 /nfs/dbraw/zinc/27/27/48/1384272748.db2.gz RPBRPPAQOACQEL-LEWJYISDSA-N 2 1 328.500 3.467 20 0 EGADMP CN(C)c1nc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc[nH+]1 ZINC001170330896 1384292994 /nfs/dbraw/zinc/29/29/94/1384292994.db2.gz WKXNLWWTSDLYHJ-NNZMDNLPSA-N 2 1 337.471 3.150 20 0 EGADMP CN(C)c1nc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc[nH+]1 ZINC001170330896 1384292996 /nfs/dbraw/zinc/29/29/96/1384292996.db2.gz WKXNLWWTSDLYHJ-NNZMDNLPSA-N 2 1 337.471 3.150 20 0 EGADMP COc1ccc2[nH+]ccc(NC3CC(C)(C)[NH+](C)C(C)(C)C3)c2n1 ZINC001170450635 1384322267 /nfs/dbraw/zinc/32/22/67/1384322267.db2.gz DJHODRMMAVAOTM-UHFFFAOYSA-N 2 1 328.460 3.124 20 0 EGADMP CC1(C)[C@@H]2C[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OCc3ccccc3)C[C@@H]21 ZINC001170724762 1384373989 /nfs/dbraw/zinc/37/39/89/1384373989.db2.gz PYKQFWSUXOTNDW-RDGPPVDQSA-N 2 1 344.499 3.252 20 0 EGADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)C1 ZINC001170746424 1384376779 /nfs/dbraw/zinc/37/67/79/1384376779.db2.gz MMKXEQYFYJLKSF-DSLXNQLJSA-N 2 1 348.531 3.161 20 0 EGADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)C1 ZINC001170746424 1384376792 /nfs/dbraw/zinc/37/67/92/1384376792.db2.gz MMKXEQYFYJLKSF-DSLXNQLJSA-N 2 1 348.531 3.161 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCC(C)C ZINC001170784845 1384384589 /nfs/dbraw/zinc/38/45/89/1384384589.db2.gz LPJBBOLGQKQVJE-GOSISDBHSA-N 2 1 325.541 3.173 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170851943 1384398447 /nfs/dbraw/zinc/39/84/47/1384398447.db2.gz VTEZZWFJHMIOJW-CXAGYDPISA-N 2 1 337.305 3.238 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001316602038 1384469229 /nfs/dbraw/zinc/46/92/29/1384469229.db2.gz GFXQHFGLFKZRQT-QZTJIDSGSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001316602038 1384469230 /nfs/dbraw/zinc/46/92/30/1384469230.db2.gz GFXQHFGLFKZRQT-QZTJIDSGSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001316602038 1384469233 /nfs/dbraw/zinc/46/92/33/1384469233.db2.gz GFXQHFGLFKZRQT-QZTJIDSGSA-N 2 1 339.568 3.179 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001316603560 1384471313 /nfs/dbraw/zinc/47/13/13/1384471313.db2.gz QEFWDJGOIFDPCQ-FXAWDEMLSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171248389 1384477994 /nfs/dbraw/zinc/47/79/94/1384477994.db2.gz UEJYIHRSDBCPKA-FXAWDEMLSA-N 2 1 349.563 3.458 20 0 EGADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4c(Cl)ccc(OC)c4C3)C[C@@H]2C1 ZINC001171332823 1384496519 /nfs/dbraw/zinc/49/65/19/1384496519.db2.gz IVEXEEGXHZHCJR-QLFBSQMISA-N 2 1 334.891 3.089 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4c(Cl)ccc(OC)c4C3)C[C@@H]2C1 ZINC001171332823 1384496522 /nfs/dbraw/zinc/49/65/22/1384496522.db2.gz IVEXEEGXHZHCJR-QLFBSQMISA-N 2 1 334.891 3.089 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4c(Cl)ccc(OC)c4C3)C[C@@H]2C1 ZINC001171332823 1384496525 /nfs/dbraw/zinc/49/65/25/1384496525.db2.gz IVEXEEGXHZHCJR-QLFBSQMISA-N 2 1 334.891 3.089 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171539144 1384556758 /nfs/dbraw/zinc/55/67/58/1384556758.db2.gz QWKBMLLKRJLXNV-PKOBYXMFSA-N 2 1 335.536 3.236 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)C1 ZINC001171586396 1384572399 /nfs/dbraw/zinc/57/23/99/1384572399.db2.gz NKHHBYUIQWBODE-AQFXKWCLSA-N 2 1 325.541 3.027 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@](O)(C(F)(F)F)CC2)CC1(C)C ZINC001171630814 1384586504 /nfs/dbraw/zinc/58/65/04/1384586504.db2.gz CKQYKMYCVHBSSW-MRXNPFEDSA-N 2 1 336.442 3.417 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CCc3ncnc(C4CC4)c3CC2)CC1(C)C ZINC001171638065 1384587779 /nfs/dbraw/zinc/58/77/79/1384587779.db2.gz QQTPSVMXHZFTHD-UHFFFAOYSA-N 2 1 342.531 3.406 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1 ZINC001171646792 1384591852 /nfs/dbraw/zinc/59/18/52/1384591852.db2.gz PSNGPGWCDCJQQM-HKUYNNGSSA-N 2 1 337.552 3.172 20 0 EGADMP C[C@H]1C[C@@H](N2CC[C@@H]([NH+]3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171759406 1384626469 /nfs/dbraw/zinc/62/64/69/1384626469.db2.gz JIXOWKZWUNZRLK-CEWLAPEOSA-N 2 1 327.516 3.210 20 0 EGADMP CC[NH+](CC)C1CCN([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171765816 1384629804 /nfs/dbraw/zinc/62/98/04/1384629804.db2.gz ZOMBYNNPJNZVQW-RXVVDRJESA-N 2 1 329.532 3.456 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCCC[NH2+]CCC1=CCCCC1 ZINC001171820986 1384651089 /nfs/dbraw/zinc/65/10/89/1384651089.db2.gz INBWTWDCEAMVGP-KRWDZBQOSA-N 2 1 346.519 3.347 20 0 EGADMP CCOC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171969266 1384698208 /nfs/dbraw/zinc/69/82/08/1384698208.db2.gz USCJFSTWZSWPTC-GOSISDBHSA-N 2 1 344.499 3.363 20 0 EGADMP CCOC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973148 1384699203 /nfs/dbraw/zinc/69/92/03/1384699203.db2.gz WMXDDHKHASTQMM-WMZOPIPTSA-N 2 1 332.488 3.361 20 0 EGADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n(C)n1 ZINC001171972833 1384699837 /nfs/dbraw/zinc/69/98/37/1384699837.db2.gz STXWWBMEWZHQQQ-SFHVURJKSA-N 2 1 326.488 3.261 20 0 EGADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n(C)n1 ZINC001171972833 1384699840 /nfs/dbraw/zinc/69/98/40/1384699840.db2.gz STXWWBMEWZHQQQ-SFHVURJKSA-N 2 1 326.488 3.261 20 0 EGADMP CCOC(=O)[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974998 1384700142 /nfs/dbraw/zinc/70/01/42/1384700142.db2.gz JNVREIIGYDWREX-SJLPKXTDSA-N 2 1 332.488 3.218 20 0 EGADMP CC1(C)C[C@H]([NH2+]C[C@H](O)c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC001171974720 1384700155 /nfs/dbraw/zinc/70/01/55/1384700155.db2.gz AKNYMGROYHYGJO-UXHICEINSA-N 2 1 339.483 3.148 20 0 EGADMP CC1(C)C[C@@H]([NH2+]Cc2cncn2CCF)CC[N@@H+]1Cc1ccccc1 ZINC001171980914 1384702333 /nfs/dbraw/zinc/70/23/33/1384702333.db2.gz YHUGARFXYMDKOF-SFHVURJKSA-N 2 1 344.478 3.385 20 0 EGADMP CC1(C)C[C@@H]([NH2+]Cc2cncn2CCF)CC[N@H+]1Cc1ccccc1 ZINC001171980914 1384702340 /nfs/dbraw/zinc/70/23/40/1384702340.db2.gz YHUGARFXYMDKOF-SFHVURJKSA-N 2 1 344.478 3.385 20 0 EGADMP CCOC(=O)[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171988040 1384704897 /nfs/dbraw/zinc/70/48/97/1384704897.db2.gz OCBXUXMPUBCQHV-RTBURBONSA-N 2 1 344.499 3.315 20 0 EGADMP CCOC(=O)[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171988040 1384704899 /nfs/dbraw/zinc/70/48/99/1384704899.db2.gz OCBXUXMPUBCQHV-RTBURBONSA-N 2 1 344.499 3.315 20 0 EGADMP CCOC(=O)[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171988040 1384704901 /nfs/dbraw/zinc/70/49/01/1384704901.db2.gz OCBXUXMPUBCQHV-RTBURBONSA-N 2 1 344.499 3.315 20 0 EGADMP CC(C)(C)[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(N)=O ZINC001172063708 1384715226 /nfs/dbraw/zinc/71/52/26/1384715226.db2.gz CQPSMMZUMAIROF-AKHDSKFASA-N 2 1 343.515 3.062 20 0 EGADMP C[NH+]1CCC(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172064045 1384715310 /nfs/dbraw/zinc/71/53/10/1384715310.db2.gz DWQHORMUPZYNDN-MZADTFQBSA-N 2 1 327.516 3.256 20 0 EGADMP C[N@H+]1CC[C@H](CN[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061635 1384715638 /nfs/dbraw/zinc/71/56/38/1384715638.db2.gz ICCWYPANLXDLSY-MXEMCNAFSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1CC[C@H](CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172061635 1384715639 /nfs/dbraw/zinc/71/56/39/1384715639.db2.gz ICCWYPANLXDLSY-MXEMCNAFSA-N 2 1 327.516 3.113 20 0 EGADMP C[NH+]1CC[C@H](CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172061635 1384715640 /nfs/dbraw/zinc/71/56/40/1384715640.db2.gz ICCWYPANLXDLSY-MXEMCNAFSA-N 2 1 327.516 3.113 20 0 EGADMP C[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061635 1384715641 /nfs/dbraw/zinc/71/56/41/1384715641.db2.gz ICCWYPANLXDLSY-MXEMCNAFSA-N 3 1 327.516 3.113 20 0 EGADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172061635 1384715642 /nfs/dbraw/zinc/71/56/42/1384715642.db2.gz ICCWYPANLXDLSY-MXEMCNAFSA-N 3 1 327.516 3.113 20 0 EGADMP C[NH+]1CC[C@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172061635 1384715643 /nfs/dbraw/zinc/71/56/43/1384715643.db2.gz ICCWYPANLXDLSY-MXEMCNAFSA-N 3 1 327.516 3.113 20 0 EGADMP C[NH+]1CC[C@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172061635 1384715644 /nfs/dbraw/zinc/71/56/44/1384715644.db2.gz ICCWYPANLXDLSY-MXEMCNAFSA-N 3 1 327.516 3.113 20 0 EGADMP O[C@H](C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)(F)F ZINC001172072437 1384720662 /nfs/dbraw/zinc/72/06/62/1384720662.db2.gz MMRBLYKAEIYLNF-YYIAUSFCSA-N 2 1 342.405 3.085 20 0 EGADMP O[C@H](C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)(F)F ZINC001172072437 1384720665 /nfs/dbraw/zinc/72/06/65/1384720665.db2.gz MMRBLYKAEIYLNF-YYIAUSFCSA-N 2 1 342.405 3.085 20 0 EGADMP COC(C[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)OC ZINC001172082822 1384722080 /nfs/dbraw/zinc/72/20/80/1384722080.db2.gz MHAQHTSRWWYHJD-BWTSREIZSA-N 2 1 332.488 3.123 20 0 EGADMP COC(C[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)OC ZINC001172082822 1384722083 /nfs/dbraw/zinc/72/20/83/1384722083.db2.gz MHAQHTSRWWYHJD-BWTSREIZSA-N 2 1 332.488 3.123 20 0 EGADMP COC(C[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC001172082822 1384722087 /nfs/dbraw/zinc/72/20/87/1384722087.db2.gz MHAQHTSRWWYHJD-BWTSREIZSA-N 2 1 332.488 3.123 20 0 EGADMP COC(C[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC001172082822 1384722089 /nfs/dbraw/zinc/72/20/89/1384722089.db2.gz MHAQHTSRWWYHJD-BWTSREIZSA-N 2 1 332.488 3.123 20 0 EGADMP OC1CC2(C1)C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001172080411 1384722244 /nfs/dbraw/zinc/72/22/44/1384722244.db2.gz VNLZBRUCWQZYLY-BWTSREIZSA-N 2 1 326.484 3.029 20 0 EGADMP OC1CC2(C1)C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001172080411 1384722247 /nfs/dbraw/zinc/72/22/47/1384722247.db2.gz VNLZBRUCWQZYLY-BWTSREIZSA-N 2 1 326.484 3.029 20 0 EGADMP CN1CC[C@H]2C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4Cc3ccccc3)C[C@H]21 ZINC001172084362 1384722871 /nfs/dbraw/zinc/72/28/71/1384722871.db2.gz WVLJRJSMBYQJJO-VNXMGFANSA-N 2 1 339.527 3.208 20 0 EGADMP CN1CC[C@H]2C[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]21 ZINC001172084362 1384722875 /nfs/dbraw/zinc/72/28/75/1384722875.db2.gz WVLJRJSMBYQJJO-VNXMGFANSA-N 2 1 339.527 3.208 20 0 EGADMP CN1CC[C@H]2C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]21 ZINC001172084362 1384722884 /nfs/dbraw/zinc/72/28/84/1384722884.db2.gz WVLJRJSMBYQJJO-VNXMGFANSA-N 2 1 339.527 3.208 20 0 EGADMP CN1CC[C@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@H]21 ZINC001172084362 1384722889 /nfs/dbraw/zinc/72/28/89/1384722889.db2.gz WVLJRJSMBYQJJO-VNXMGFANSA-N 2 1 339.527 3.208 20 0 EGADMP CN1CC[C@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@H]21 ZINC001172084362 1384722894 /nfs/dbraw/zinc/72/28/94/1384722894.db2.gz WVLJRJSMBYQJJO-VNXMGFANSA-N 2 1 339.527 3.208 20 0 EGADMP CC[N@H+](CCC(=O)OC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172088561 1384724864 /nfs/dbraw/zinc/72/48/64/1384724864.db2.gz NEFQOCVJPOMTOF-PMOLBWCYSA-N 2 1 344.499 3.457 20 0 EGADMP CC[N@@H+](CCC(=O)OC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172088561 1384724868 /nfs/dbraw/zinc/72/48/68/1384724868.db2.gz NEFQOCVJPOMTOF-PMOLBWCYSA-N 2 1 344.499 3.457 20 0 EGADMP CC[NH+](CCC(=O)OC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172088561 1384724874 /nfs/dbraw/zinc/72/48/74/1384724874.db2.gz NEFQOCVJPOMTOF-PMOLBWCYSA-N 2 1 344.499 3.457 20 0 EGADMP CC[NH+](CCC(=O)OC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172088561 1384724877 /nfs/dbraw/zinc/72/48/77/1384724877.db2.gz NEFQOCVJPOMTOF-PMOLBWCYSA-N 2 1 344.499 3.457 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccc(F)cc3)CC1)C2 ZINC001172104226 1384727212 /nfs/dbraw/zinc/72/72/12/1384727212.db2.gz AYBPCWKYTBCMGI-MZADTFQBSA-N 2 1 345.506 3.395 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccc(F)cc3)CC1)C2 ZINC001172104226 1384727215 /nfs/dbraw/zinc/72/72/15/1384727215.db2.gz AYBPCWKYTBCMGI-MZADTFQBSA-N 2 1 345.506 3.395 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC([NH3+])(Cc3ccccc3F)CC1)C2 ZINC001172112326 1384729297 /nfs/dbraw/zinc/72/92/97/1384729297.db2.gz UTVOKCMTYZNMHU-REPLKXPHSA-N 2 1 345.506 3.177 20 0 EGADMP Cc1cccnc1C1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCOCC1 ZINC001172111324 1384729676 /nfs/dbraw/zinc/72/96/76/1384729676.db2.gz QDVBNFVKCYCMIW-LDLYASANSA-N 2 1 343.515 3.043 20 0 EGADMP CCCN(CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC001172112405 1384730065 /nfs/dbraw/zinc/73/00/65/1384730065.db2.gz VSXRALJVTJFORP-OSYLJGHBSA-N 2 1 339.524 3.238 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(Cc3ccncc3)CCOCC1)C2 ZINC001172112161 1384730144 /nfs/dbraw/zinc/73/01/44/1384730144.db2.gz SQGGLBFVMJTZMD-OWZKRDHZSA-N 2 1 343.515 3.026 20 0 EGADMP CC[C@@H](CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)NC(=O)OC(C)(C)C ZINC001172116494 1384733189 /nfs/dbraw/zinc/73/31/89/1384733189.db2.gz HOYGKJLHUOGJOW-NXOAAHMSSA-N 2 1 339.524 3.285 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001172120917 1384734573 /nfs/dbraw/zinc/73/45/73/1384734573.db2.gz HJZMQUUHFUXCDU-AERCQKQUSA-N 2 1 327.516 3.210 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001172120917 1384734576 /nfs/dbraw/zinc/73/45/76/1384734576.db2.gz HJZMQUUHFUXCDU-AERCQKQUSA-N 2 1 327.516 3.210 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001172120917 1384734579 /nfs/dbraw/zinc/73/45/79/1384734579.db2.gz HJZMQUUHFUXCDU-AERCQKQUSA-N 2 1 327.516 3.210 20 0 EGADMP CCOC(=O)[C@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]2CCCC[C@@H]12 ZINC001172122073 1384734910 /nfs/dbraw/zinc/73/49/10/1384734910.db2.gz WOBCALBYEUAMKI-FFDFYAMSSA-N 2 1 348.531 3.303 20 0 EGADMP CCOC(=O)[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]2CCCC[C@@H]12 ZINC001172122073 1384734912 /nfs/dbraw/zinc/73/49/12/1384734912.db2.gz WOBCALBYEUAMKI-FFDFYAMSSA-N 2 1 348.531 3.303 20 0 EGADMP CCOC(=O)[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]2CCCC[C@@H]12 ZINC001172122073 1384734915 /nfs/dbraw/zinc/73/49/15/1384734915.db2.gz WOBCALBYEUAMKI-FFDFYAMSSA-N 2 1 348.531 3.303 20 0 EGADMP CC[N@H+](CCN(C)C(=O)OC(C)(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130424 1384738146 /nfs/dbraw/zinc/73/81/46/1384738146.db2.gz PBRJZDFIPRNNQZ-FVQHAEBGSA-N 2 1 339.524 3.191 20 0 EGADMP CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130424 1384738148 /nfs/dbraw/zinc/73/81/48/1384738148.db2.gz PBRJZDFIPRNNQZ-FVQHAEBGSA-N 2 1 339.524 3.191 20 0 EGADMP CC[NH+](CCN(C)C(=O)OC(C)(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172130424 1384738151 /nfs/dbraw/zinc/73/81/51/1384738151.db2.gz PBRJZDFIPRNNQZ-FVQHAEBGSA-N 2 1 339.524 3.191 20 0 EGADMP CC[NH+](CCN(C)C(=O)OC(C)(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172130424 1384738153 /nfs/dbraw/zinc/73/81/53/1384738153.db2.gz PBRJZDFIPRNNQZ-FVQHAEBGSA-N 2 1 339.524 3.191 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)[C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172160198 1384739952 /nfs/dbraw/zinc/73/99/52/1384739952.db2.gz SFOZTXIBRBOUIQ-MUGJNUQGSA-N 2 1 347.547 3.292 20 0 EGADMP COC1CC[NH+](C2CC[NH+]([C@@H]3CSc4ccccc4C3)CC2)CC1 ZINC001172209283 1384749355 /nfs/dbraw/zinc/74/93/55/1384749355.db2.gz PMDHKIRDJYCNFD-SFHVURJKSA-N 2 1 346.540 3.279 20 0 EGADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(OC(C)(C)C)cc2)CC1 ZINC001172247047 1384755843 /nfs/dbraw/zinc/75/58/43/1384755843.db2.gz BHFIYWJUMMCETK-UHFFFAOYSA-N 2 1 334.504 3.454 20 0 EGADMP CC[N@H+](CCc1ccc(OC)cc1)C1CC[NH+](CCCOC)CC1 ZINC001172254520 1384756567 /nfs/dbraw/zinc/75/65/67/1384756567.db2.gz PFBYYWLQPLEWCM-UHFFFAOYSA-N 2 1 334.504 3.061 20 0 EGADMP CC[N@@H+](CCc1ccc(OC)cc1)C1CC[NH+](CCCOC)CC1 ZINC001172254520 1384756569 /nfs/dbraw/zinc/75/65/69/1384756569.db2.gz PFBYYWLQPLEWCM-UHFFFAOYSA-N 2 1 334.504 3.061 20 0 EGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C[C@@H]1C ZINC001172358220 1384776935 /nfs/dbraw/zinc/77/69/35/1384776935.db2.gz GLNBNBQQKCEPDA-LVCYWYKZSA-N 2 1 329.532 3.348 20 0 EGADMP CCOCC[C@@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001172425108 1384789142 /nfs/dbraw/zinc/78/91/42/1384789142.db2.gz UBEQMPNOKLOUMB-LJQANCHMSA-N 2 1 346.515 3.169 20 0 EGADMP CC(C)COCC[C@H](C)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172471030 1384800127 /nfs/dbraw/zinc/80/01/27/1384800127.db2.gz ISQIETCYLAMGBH-BZSNNMDCSA-N 2 1 326.525 3.189 20 0 EGADMP C[NH+](C)C1(C(=O)N2CCC[C@@H](C[N@@H+](C)CCCC3CCC3)C2)CCC1 ZINC001317036366 1384806536 /nfs/dbraw/zinc/80/65/36/1384806536.db2.gz DVRQZWKTRROILS-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172664641 1384830009 /nfs/dbraw/zinc/83/00/09/1384830009.db2.gz PYUDTLIATYKQLZ-OALUTQOASA-N 2 1 343.515 3.030 20 0 EGADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172664641 1384830011 /nfs/dbraw/zinc/83/00/11/1384830011.db2.gz PYUDTLIATYKQLZ-OALUTQOASA-N 2 1 343.515 3.030 20 0 EGADMP C[NH+](C)CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CCCC2)CC1 ZINC001317098480 1384860911 /nfs/dbraw/zinc/86/09/11/1384860911.db2.gz SHEYWQKTDNBITI-YQQQUEKLSA-N 2 1 347.547 3.020 20 0 EGADMP CCOC[C@@H]1C[N@H+](C2CCC([NH+](CC)CC)CC2)Cc2cnn(C)c21 ZINC001173109118 1384916269 /nfs/dbraw/zinc/91/62/69/1384916269.db2.gz GHNUJOMDIIIGLE-VIQWUECVSA-N 2 1 348.535 3.009 20 0 EGADMP CCOCc1noc2c1C[N@H+](C1CCC([NH+](CC)CC)CC1)CC2 ZINC001173112682 1384916800 /nfs/dbraw/zinc/91/68/00/1384916800.db2.gz ZLKBGMRELLACIZ-UHFFFAOYSA-N 2 1 335.492 3.222 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CCN(C)c3nc(C)ccc3C2)CC1 ZINC001173110226 1384917015 /nfs/dbraw/zinc/91/70/15/1384917015.db2.gz INDCOWZSSRPQQA-UHFFFAOYSA-N 2 1 330.520 3.295 20 0 EGADMP CC[NH+](CC)C1CCC([N@@H+](CCC(=O)OC)Cc2ccco2)CC1 ZINC001173111455 1384917089 /nfs/dbraw/zinc/91/70/89/1384917089.db2.gz FRUHJBDAIFRFBH-UHFFFAOYSA-N 2 1 336.476 3.298 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)CC1 ZINC001173111113 1384917132 /nfs/dbraw/zinc/91/71/32/1384917132.db2.gz SALXEGCVWWBORW-DCCYDQLOSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CCO1 ZINC001173173160 1384930981 /nfs/dbraw/zinc/93/09/81/1384930981.db2.gz MBJBAGXMHXWRMT-HSROGRKHSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CCO1 ZINC001173173160 1384930984 /nfs/dbraw/zinc/93/09/84/1384930984.db2.gz MBJBAGXMHXWRMT-HSROGRKHSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)CCO1 ZINC001173173160 1384930988 /nfs/dbraw/zinc/93/09/88/1384930988.db2.gz MBJBAGXMHXWRMT-HSROGRKHSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CCO1 ZINC001173173160 1384930993 /nfs/dbraw/zinc/93/09/93/1384930993.db2.gz MBJBAGXMHXWRMT-HSROGRKHSA-N 2 1 343.515 3.181 20 0 EGADMP CC1CC(C[N@H+]2CCCC[C@H]2CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317170458 1384937405 /nfs/dbraw/zinc/93/74/05/1384937405.db2.gz BITPBRZZPAEMPK-ACBHZAAOSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@H+]2CCC2CCCC2)CCC1 ZINC001317173037 1384940958 /nfs/dbraw/zinc/94/09/58/1384940958.db2.gz MBVRJDPMSBTTQW-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CCc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)cc1 ZINC001173242138 1384943527 /nfs/dbraw/zinc/94/35/27/1384943527.db2.gz SUMJTQGSTSNZGG-DYESRHJHSA-N 2 1 330.516 3.271 20 0 EGADMP CCc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)cc1 ZINC001173242138 1384943531 /nfs/dbraw/zinc/94/35/31/1384943531.db2.gz SUMJTQGSTSNZGG-DYESRHJHSA-N 2 1 330.516 3.271 20 0 EGADMP CC[N@H+]1CC[C@@H](N2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)C1 ZINC001173364928 1384964474 /nfs/dbraw/zinc/96/44/74/1384964474.db2.gz ZMBNVLVABOKURD-SEVLPDGMSA-N 2 1 327.516 3.191 20 0 EGADMP CC[NH+]1CC[C@@H](N2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)C1 ZINC001173364928 1384964476 /nfs/dbraw/zinc/96/44/76/1384964476.db2.gz ZMBNVLVABOKURD-SEVLPDGMSA-N 2 1 327.516 3.191 20 0 EGADMP CC[NH+]1CC[C@@H](N2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)C1 ZINC001173364928 1384964479 /nfs/dbraw/zinc/96/44/79/1384964479.db2.gz ZMBNVLVABOKURD-SEVLPDGMSA-N 2 1 327.516 3.191 20 0 EGADMP C[C@@H](CCc1ccc(Cl)c(Cl)c1)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001173537430 1384979744 /nfs/dbraw/zinc/97/97/44/1384979744.db2.gz ADIWIVPUOOLBKT-WCQYABFASA-N 2 1 342.270 3.246 20 0 EGADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001173606850 1384987528 /nfs/dbraw/zinc/98/75/28/1384987528.db2.gz SOJCHJJVTBEMHN-UDDOEOBRSA-N 2 1 334.504 3.103 20 0 EGADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001173606850 1384987529 /nfs/dbraw/zinc/98/75/29/1384987529.db2.gz SOJCHJJVTBEMHN-UDDOEOBRSA-N 2 1 334.504 3.103 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001173621594 1384990026 /nfs/dbraw/zinc/99/00/26/1384990026.db2.gz YMGVOUCZSQGJCL-ICSRJNTNSA-N 2 1 344.499 3.363 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001317220990 1385001343 /nfs/dbraw/zinc/00/13/43/1385001343.db2.gz QWVPJINGGPLIQI-UHFFFAOYSA-N 2 1 345.531 3.162 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC001317221036 1385001695 /nfs/dbraw/zinc/00/16/95/1385001695.db2.gz SGXWBAWRPBOJLU-JXMROGBWSA-N 2 1 343.515 3.059 20 0 EGADMP C[NH+]1CCC(Oc2ccc(Nc3cc[nH+]c4ccccc34)nc2)CC1 ZINC001174038600 1385049443 /nfs/dbraw/zinc/04/94/43/1385049443.db2.gz PRKSFCLWJBJBBY-UHFFFAOYSA-N 2 1 334.423 3.268 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccccc1F ZINC001317306502 1385073197 /nfs/dbraw/zinc/07/31/97/1385073197.db2.gz ZIYWXQGFFOMTDU-HOTGVXAUSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001317343509 1385094820 /nfs/dbraw/zinc/09/48/20/1385094820.db2.gz LYANSKGPHKPHBQ-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001174880754 1385164189 /nfs/dbraw/zinc/16/41/89/1385164189.db2.gz GVYHYIFMWAJRPD-YLJYHZDGSA-N 2 1 349.563 3.458 20 0 EGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001174930266 1385171327 /nfs/dbraw/zinc/17/13/27/1385171327.db2.gz WOCXEQAXRVFQBX-AEFFLSMTSA-N 2 1 348.535 3.209 20 0 EGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001174930277 1385171423 /nfs/dbraw/zinc/17/14/23/1385171423.db2.gz WOCXEQAXRVFQBX-SJLPKXTDSA-N 2 1 348.535 3.209 20 0 EGADMP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175256571 1385231308 /nfs/dbraw/zinc/23/13/08/1385231308.db2.gz MGXJADATCQFVPU-HMTUNPETSA-N 2 1 337.552 3.482 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175263679 1385233276 /nfs/dbraw/zinc/23/32/76/1385233276.db2.gz QIJWKUCTTOGYIF-IRXDYDNUSA-N 2 1 337.552 3.029 20 0 EGADMP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175265114 1385234844 /nfs/dbraw/zinc/23/48/44/1385234844.db2.gz XIDAOOSRQCGIIT-RJCMGOLDSA-N 2 1 337.552 3.339 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@H](C)c1ccccc1 ZINC001317541732 1385280899 /nfs/dbraw/zinc/28/08/99/1385280899.db2.gz ZWJJXLIDXKEAMI-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[C@H](C)c1ccccc1 ZINC001317541732 1385280901 /nfs/dbraw/zinc/28/09/01/1385280901.db2.gz ZWJJXLIDXKEAMI-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[C@H](C)c1ccccc1 ZINC001317541732 1385280904 /nfs/dbraw/zinc/28/09/04/1385280904.db2.gz ZWJJXLIDXKEAMI-MJGOQNOKSA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175703626 1385378104 /nfs/dbraw/zinc/37/81/04/1385378104.db2.gz HWZCEMUWDIIBHE-DLBZAZTESA-N 2 1 336.524 3.282 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175703629 1385378583 /nfs/dbraw/zinc/37/85/83/1385378583.db2.gz HWZCEMUWDIIBHE-SJORKVTESA-N 2 1 336.524 3.282 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001175905914 1385434512 /nfs/dbraw/zinc/43/45/12/1385434512.db2.gz FIXYCJAPDWCYCS-PMACEKPBSA-N 2 1 333.495 3.379 20 0 EGADMP C[NH+]1CCN(c2ccc(Nc3ccc(C[NH3+])cc3)cc2Cl)CC1 ZINC001175969711 1385448237 /nfs/dbraw/zinc/44/82/37/1385448237.db2.gz XRURFPSERWPOOL-UHFFFAOYSA-N 2 1 330.863 3.294 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001176024464 1385464278 /nfs/dbraw/zinc/46/42/78/1385464278.db2.gz ONABHMMVMSZDPC-INIZCTEOSA-N 2 1 325.541 3.029 20 0 EGADMP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176166142 1385500707 /nfs/dbraw/zinc/50/07/07/1385500707.db2.gz QCDGAJLVEUTYSI-MOPGFXCFSA-N 2 1 345.531 3.101 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176167435 1385500847 /nfs/dbraw/zinc/50/08/47/1385500847.db2.gz ZLIDVJZBWQTWSC-ICSRJNTNSA-N 2 1 349.563 3.483 20 0 EGADMP C[NH+](C)CCOc1ccc(Nc2cc[nH+]cc2C(F)(F)F)cc1 ZINC001176222387 1385517213 /nfs/dbraw/zinc/51/72/13/1385517213.db2.gz BWJFCZPAYULQEG-UHFFFAOYSA-N 2 1 325.334 3.206 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@H](C[N@@H+](C)CCC2CC2)C1 ZINC001317839872 1385526064 /nfs/dbraw/zinc/52/60/64/1385526064.db2.gz MBMSXKDSPFFAEH-MRXNPFEDSA-N 2 1 349.544 3.004 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCC1=CCCCC1 ZINC001176283926 1385538474 /nfs/dbraw/zinc/53/84/74/1385538474.db2.gz AZDGSSYRZBHGJC-GOSISDBHSA-N 2 1 337.552 3.483 20 0 EGADMP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001176358377 1385562454 /nfs/dbraw/zinc/56/24/54/1385562454.db2.gz BEBUFLCKUQNKMG-ICSRJNTNSA-N 2 1 337.552 3.317 20 0 EGADMP CC[C@H](C(=O)NC1C[NH+]([C@H](CC)c2ccccc2)C1)[NH+](CC)CC ZINC001318061547 1385620817 /nfs/dbraw/zinc/62/08/17/1385620817.db2.gz XMDQSXZEYARXIH-RTBURBONSA-N 2 1 331.504 3.059 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176564027 1385626206 /nfs/dbraw/zinc/62/62/06/1385626206.db2.gz KDRUVLFDERBRPT-IEBWSBKVSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001318429732 1385686078 /nfs/dbraw/zinc/68/60/78/1385686078.db2.gz SMRVEVBNKQEAOL-QZTJIDSGSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001318429732 1385686083 /nfs/dbraw/zinc/68/60/83/1385686083.db2.gz SMRVEVBNKQEAOL-QZTJIDSGSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001318429732 1385686086 /nfs/dbraw/zinc/68/60/86/1385686086.db2.gz SMRVEVBNKQEAOL-QZTJIDSGSA-N 2 1 339.568 3.179 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001176759847 1385687068 /nfs/dbraw/zinc/68/70/68/1385687068.db2.gz MJHRIQRJSGTRCC-PXNSSMCTSA-N 2 1 345.531 3.354 20 0 EGADMP CC(C)c1ccccc1C[NH2+]CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001176856125 1385724969 /nfs/dbraw/zinc/72/49/69/1385724969.db2.gz IRNZLFMKZTWQLH-HDICACEKSA-N 2 1 345.531 3.279 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001176992078 1385765504 /nfs/dbraw/zinc/76/55/04/1385765504.db2.gz IKPVQTRAQNMBEN-UYAOXDASSA-N 2 1 345.531 3.335 20 0 EGADMP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CCC[C@H]1C ZINC001177416119 1385949451 /nfs/dbraw/zinc/94/94/51/1385949451.db2.gz UZXIVWBUDJTATI-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC001319090617 1385957509 /nfs/dbraw/zinc/95/75/09/1385957509.db2.gz RYBYFOVBSYJIIG-YSIASYRMSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001319090617 1385957512 /nfs/dbraw/zinc/95/75/12/1385957512.db2.gz RYBYFOVBSYJIIG-YSIASYRMSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001319090617 1385957517 /nfs/dbraw/zinc/95/75/17/1385957517.db2.gz RYBYFOVBSYJIIG-YSIASYRMSA-N 2 1 343.515 3.030 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CCC[NH2+]C[C@H](C)CC)CC1CCCC1 ZINC001177466681 1385966589 /nfs/dbraw/zinc/96/65/89/1385966589.db2.gz BGEHRYYSBXXKKW-GOSISDBHSA-N 2 1 339.568 3.373 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001319286369 1386043209 /nfs/dbraw/zinc/04/32/09/1386043209.db2.gz VNIFPRMZSZEMNH-IEBWSBKVSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CCCC1 ZINC001319352478 1386075436 /nfs/dbraw/zinc/07/54/36/1386075436.db2.gz WKYSJCHWIHQMFK-LJQANCHMSA-N 2 1 343.515 3.078 20 0 EGADMP Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2CCC[N@@H+]2C)cc1C ZINC001178045805 1386115747 /nfs/dbraw/zinc/11/57/47/1386115747.db2.gz WIZRNWYOWGRTJL-FQEVSTJZSA-N 2 1 345.531 3.164 20 0 EGADMP O=c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH]1 ZINC001178285078 1386180400 /nfs/dbraw/zinc/18/04/00/1386180400.db2.gz JRRGSCAWUJKXOA-HSALFYBXSA-N 2 1 337.467 3.178 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001178468218 1386226191 /nfs/dbraw/zinc/22/61/91/1386226191.db2.gz PXYLAURXPAGTAP-MSOLQXFVSA-N 2 1 325.541 3.172 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001178527531 1386241483 /nfs/dbraw/zinc/24/14/83/1386241483.db2.gz NYZHWUMBLBKZGE-QGZVFWFLSA-N 2 1 348.535 3.463 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CC(C)C1 ZINC001178633611 1386265119 /nfs/dbraw/zinc/26/51/19/1386265119.db2.gz AUUJOUIMXFNERG-ACBHZAAOSA-N 2 1 337.552 3.173 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001178827359 1386318903 /nfs/dbraw/zinc/31/89/03/1386318903.db2.gz HEMLPQCVPQJBBL-LJQANCHMSA-N 2 1 335.536 3.237 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCCC3CCC3)[C@@H]2C)C1 ZINC001178878052 1386336226 /nfs/dbraw/zinc/33/62/26/1386336226.db2.gz LFLXKMWPWVRIFA-SXLOBPIMSA-N 2 1 349.563 3.124 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001178878706 1386336310 /nfs/dbraw/zinc/33/63/10/1386336310.db2.gz XBMYLLTZKKKTIV-PCUMXMLJSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001178921043 1386350050 /nfs/dbraw/zinc/35/00/50/1386350050.db2.gz SPVZVVOEMFQHME-LJQANCHMSA-N 2 1 339.568 3.419 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]CC[C@H](C)F)C1 ZINC001179358021 1386462846 /nfs/dbraw/zinc/46/28/46/1386462846.db2.gz QPGPBMZALJLTJL-ROUUACIJSA-N 2 1 343.531 3.123 20 0 EGADMP O=C(NCCCCCC[NH2+]CCF)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001179362085 1386463944 /nfs/dbraw/zinc/46/39/44/1386463944.db2.gz WRTPFZYWLUXBSC-GOSISDBHSA-N 2 1 341.515 3.019 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCCCCCC[NH2+]CCC(C)(C)C)CC[N@H+]1C ZINC001179383257 1386468062 /nfs/dbraw/zinc/46/80/62/1386468062.db2.gz RKMXSXPLIXJOBW-ROUUACIJSA-N 2 1 339.568 3.419 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)Cc1ccc2ccccc2c1 ZINC001320068105 1386488520 /nfs/dbraw/zinc/48/85/20/1386488520.db2.gz GHERXZSYSBIBTA-UHFFFAOYSA-N 2 1 341.499 3.072 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)Cc1ccc2ccccc2c1 ZINC001320068105 1386488522 /nfs/dbraw/zinc/48/85/22/1386488522.db2.gz GHERXZSYSBIBTA-UHFFFAOYSA-N 2 1 341.499 3.072 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)Cc1ccc2ccccc2c1 ZINC001320068105 1386488523 /nfs/dbraw/zinc/48/85/23/1386488523.db2.gz GHERXZSYSBIBTA-UHFFFAOYSA-N 2 1 341.499 3.072 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001179549535 1386511946 /nfs/dbraw/zinc/51/19/46/1386511946.db2.gz DCOVLNTXAIWHNO-WMZOPIPTSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCCCCC[NH2+]Cc1ccccc1F ZINC001179580799 1386522656 /nfs/dbraw/zinc/52/26/56/1386522656.db2.gz QNVFWSONGKOBMZ-KRWDZBQOSA-N 2 1 349.494 3.076 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001179585410 1386523124 /nfs/dbraw/zinc/52/31/24/1386523124.db2.gz GZCSUOBBLRKKQB-AZUAARDMSA-N 2 1 349.563 3.341 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001179585446 1386523483 /nfs/dbraw/zinc/52/34/83/1386523483.db2.gz HZXPWSOYFIHDSO-MOPGFXCFSA-N 2 1 339.568 3.277 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCCCCCC[NH2+]CCC2=CCCCC2)C1 ZINC001179585720 1386523876 /nfs/dbraw/zinc/52/38/76/1386523876.db2.gz JSLZIYVXDRYJER-LJQANCHMSA-N 2 1 349.563 3.485 20 0 EGADMP CCC(CC)C[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001179587293 1386524423 /nfs/dbraw/zinc/52/44/23/1386524423.db2.gz YAJHMJFXQTUIPX-KRWDZBQOSA-N 2 1 325.541 3.031 20 0 EGADMP C[N@@H+](CC(=O)NCCCCCC[NH2+]CC1CCCC1)CC(C)(C)C ZINC001179592477 1386526810 /nfs/dbraw/zinc/52/68/10/1386526810.db2.gz CSMCCYFYYHVXMQ-UHFFFAOYSA-N 2 1 339.568 3.421 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]C/C=C\Cl ZINC001179746266 1386570227 /nfs/dbraw/zinc/57/02/27/1386570227.db2.gz SJWZLBRIUOQFPG-FPISAVPCSA-N 2 1 343.943 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2F)[C@@H]1C ZINC001179983124 1386657765 /nfs/dbraw/zinc/65/77/65/1386657765.db2.gz LXMUUKATVZLJER-BXWFABGCSA-N 2 1 349.494 3.198 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccccc2)[C@@H]1C ZINC001179983129 1386658332 /nfs/dbraw/zinc/65/83/32/1386658332.db2.gz LZDGHTLCWUINNV-WDSOQIARSA-N 2 1 331.504 3.059 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CC1 ZINC001180035701 1386676501 /nfs/dbraw/zinc/67/65/01/1386676501.db2.gz OVFNMQDZZSWYNC-LJQANCHMSA-N 2 1 337.552 3.317 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001180124478 1386705141 /nfs/dbraw/zinc/70/51/41/1386705141.db2.gz XTGBBYIKCVZNDF-UHFFFAOYSA-N 2 1 325.541 3.175 20 0 EGADMP CC[C@H]([NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C)c1ccccc1 ZINC001180226673 1386738948 /nfs/dbraw/zinc/73/89/48/1386738948.db2.gz GBKICRNZEUIDBP-WDSOQIARSA-N 2 1 331.504 3.057 20 0 EGADMP Cc1cc(C)cc(C[NH2+]CCCCCCNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001180260536 1386749208 /nfs/dbraw/zinc/74/92/08/1386749208.db2.gz ZVWONIZBIXILNE-HXUWFJFHSA-N 2 1 345.531 3.021 20 0 EGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC001321074295 1386801520 /nfs/dbraw/zinc/80/15/20/1386801520.db2.gz IFEJQPJWGJADOP-SFHVURJKSA-N 2 1 328.431 3.446 20 0 EGADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3CCCF)c2)CC1 ZINC001321267079 1386860886 /nfs/dbraw/zinc/86/08/86/1386860886.db2.gz HSLFKZHZDMUHAO-NHCUHLMSSA-N 2 1 347.522 3.442 20 0 EGADMP Cc1nccn1-c1ccncc1NC(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC001321400068 1386894116 /nfs/dbraw/zinc/89/41/16/1386894116.db2.gz PSDSOEHAMBDJFB-MRXNPFEDSA-N 2 1 346.390 3.275 20 0 EGADMP C[C@@H](CNC(=O)CC[N@@H+](C)Cc1ccccc1)CC(C)(C)CC[NH3+] ZINC001181141964 1386945152 /nfs/dbraw/zinc/94/51/52/1386945152.db2.gz JPZXTPNIGKJJQM-QGZVFWFLSA-N 2 1 333.520 3.026 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@H]1OC ZINC001181153376 1386948296 /nfs/dbraw/zinc/94/82/96/1386948296.db2.gz CRMKKXZSBSDURQ-YSTOQKLRSA-N 2 1 346.515 3.069 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@H]1OC ZINC001181153376 1386948299 /nfs/dbraw/zinc/94/82/99/1386948299.db2.gz CRMKKXZSBSDURQ-YSTOQKLRSA-N 2 1 346.515 3.069 20 0 EGADMP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001181672680 1387036785 /nfs/dbraw/zinc/03/67/85/1387036785.db2.gz YWWDABYVIFEXGM-BWPKTWLJSA-N 2 1 349.563 3.291 20 0 EGADMP CC[NH+](CC)CCOC(=O)c1cccc(N[C@H]2CCC[N@@H+](CC)C2)c1 ZINC001181717195 1387044399 /nfs/dbraw/zinc/04/43/99/1387044399.db2.gz CWXFEQYYJIDWNZ-IBGZPJMESA-N 2 1 347.503 3.081 20 0 EGADMP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001329491951 1389131128 /nfs/dbraw/zinc/13/11/28/1389131128.db2.gz YPKFRMLRMOWTEV-OAHLLOKOSA-N 2 1 347.528 3.201 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC001336778702 1389167306 /nfs/dbraw/zinc/16/73/06/1389167306.db2.gz AGEAHDJSAHHFQQ-GHTZIAJQSA-N 2 1 340.511 3.453 20 0 EGADMP C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]C/C=C\c1ccccc1 ZINC001331562468 1389800640 /nfs/dbraw/zinc/80/06/40/1389800640.db2.gz ZHGGNXGNLJDGCJ-ADYSOMBNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001331614119 1389829371 /nfs/dbraw/zinc/82/93/71/1389829371.db2.gz VUABHAANPQVCNE-KRWDZBQOSA-N 2 1 341.499 3.118 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001332424835 1390113295 /nfs/dbraw/zinc/11/32/95/1390113295.db2.gz SFVNPJBNQVBIAS-HNNXBMFYSA-N 2 1 349.906 3.441 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC001332555236 1390134181 /nfs/dbraw/zinc/13/41/81/1390134181.db2.gz HAUPWSXRAJMBTH-ZBFHGGJFSA-N 2 1 336.549 3.391 20 0 EGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2noc3c2COCC3)CC1 ZINC001332847622 1390200259 /nfs/dbraw/zinc/20/02/59/1390200259.db2.gz GFUYNOHKARLTOX-UHFFFAOYSA-N 2 1 335.492 3.081 20 0 EGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](C[NH3+])C2CCCCCC2)CC1 ZINC001340185097 1390245356 /nfs/dbraw/zinc/24/53/56/1390245356.db2.gz QZBFSBUHRVHIKX-LJQANCHMSA-N 2 1 337.552 3.111 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC001334433454 1390537620 /nfs/dbraw/zinc/53/76/20/1390537620.db2.gz ITEJQONHIVVSMT-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N1C[C@@H](CC[NH3+])c2ccccc21)c1ccccc1 ZINC001342297982 1390597529 /nfs/dbraw/zinc/59/75/29/1390597529.db2.gz BYEDDWNUVUNZCR-XLIONFOSSA-N 2 1 337.467 3.159 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1C[C@@H](CC[NH3+])c2ccccc21)c1ccccc1 ZINC001342297982 1390597533 /nfs/dbraw/zinc/59/75/33/1390597533.db2.gz BYEDDWNUVUNZCR-XLIONFOSSA-N 2 1 337.467 3.159 20 0 EGADMP COc1cc(F)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1OC ZINC001335151142 1390649579 /nfs/dbraw/zinc/64/95/79/1390649579.db2.gz TVTRMCJGWOCQHZ-OFQRWUPVSA-N 2 1 336.451 3.005 20 0 EGADMP CCc1ccc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)[nH+]c1 ZINC001347981044 1391154120 /nfs/dbraw/zinc/15/41/20/1391154120.db2.gz JFHMVJHWGKPPDS-UHFFFAOYSA-N 2 1 325.456 3.213 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC001353338750 1391991970 /nfs/dbraw/zinc/99/19/70/1391991970.db2.gz IVKQBHQJYJAGLV-XJKSGUPXSA-N 2 1 330.394 3.060 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001479907144 1392474888 /nfs/dbraw/zinc/47/48/88/1392474888.db2.gz LJEKHGPDEBLNDV-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@H](C)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001479907144 1392474890 /nfs/dbraw/zinc/47/48/90/1392474890.db2.gz LJEKHGPDEBLNDV-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@H](C)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001479907144 1392474893 /nfs/dbraw/zinc/47/48/93/1392474893.db2.gz LJEKHGPDEBLNDV-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001479908215 1392475337 /nfs/dbraw/zinc/47/53/37/1392475337.db2.gz KAWYDCOFOMCQJS-RTBURBONSA-N 2 1 349.494 3.199 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)C1CCCCC1 ZINC001480150796 1392601464 /nfs/dbraw/zinc/60/14/64/1392601464.db2.gz JYSASTAJWWOVHF-IYARVYRRSA-N 2 1 335.536 3.068 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001480349004 1392699279 /nfs/dbraw/zinc/69/92/79/1392699279.db2.gz BWIHZIAVKRGAKY-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CCC([NH2+]Cc2c(C)cccc2C)CC1 ZINC001480409544 1392745800 /nfs/dbraw/zinc/74/58/00/1392745800.db2.gz KTDXYGIXTGWMKA-UHFFFAOYSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001480510128 1392774658 /nfs/dbraw/zinc/77/46/58/1392774658.db2.gz SSXQHSDEUOZKPP-INIZCTEOSA-N 2 1 349.494 3.075 20 0 EGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480945944 1393040390 /nfs/dbraw/zinc/04/03/90/1393040390.db2.gz GOMKGGFXNIJXKF-FUHWJXTLSA-N 2 1 345.531 3.045 20 0 EGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480945944 1393040394 /nfs/dbraw/zinc/04/03/94/1393040394.db2.gz GOMKGGFXNIJXKF-FUHWJXTLSA-N 2 1 345.531 3.045 20 0 EGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480945944 1393040396 /nfs/dbraw/zinc/04/03/96/1393040396.db2.gz GOMKGGFXNIJXKF-FUHWJXTLSA-N 2 1 345.531 3.045 20 0 EGADMP CC(C)[C@H](C(=O)NCC[N@@H+](C)CCC1CCCC1)[NH+]1CCCCC1 ZINC001480951937 1393042980 /nfs/dbraw/zinc/04/29/80/1393042980.db2.gz RYSBAHLDKLTZML-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)[C@H](C)c1cccc(F)c1 ZINC001480979439 1393064198 /nfs/dbraw/zinc/06/41/98/1393064198.db2.gz JEPGMIDTUDLVFG-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC)[C@H](C)c1cccc(F)c1 ZINC001480979439 1393064201 /nfs/dbraw/zinc/06/42/01/1393064201.db2.gz JEPGMIDTUDLVFG-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC)[C@H](C)c1cccc(F)c1 ZINC001480979439 1393064206 /nfs/dbraw/zinc/06/42/06/1393064206.db2.gz JEPGMIDTUDLVFG-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@H+](CCCC(C)(C)C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001480996316 1393075689 /nfs/dbraw/zinc/07/56/89/1393075689.db2.gz SVDUAXNIVPIZAG-QGZVFWFLSA-N 2 1 348.535 3.018 20 0 EGADMP CC[N@@H+](CCCC(C)(C)C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001480996316 1393075692 /nfs/dbraw/zinc/07/56/92/1393075692.db2.gz SVDUAXNIVPIZAG-QGZVFWFLSA-N 2 1 348.535 3.018 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001481070510 1393112930 /nfs/dbraw/zinc/11/29/30/1393112930.db2.gz JAFPQSCQORJFPP-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC)c1ccc(F)cc1 ZINC001481319730 1393163073 /nfs/dbraw/zinc/16/30/73/1393163073.db2.gz LXMZJISJUAWDFQ-OALUTQOASA-N 2 1 349.494 3.199 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001698892281 1406624372 /nfs/dbraw/zinc/62/43/72/1406624372.db2.gz KJDCKMGSFVDMQA-VQIMIIECSA-N 2 1 348.535 3.235 20 0 EGADMP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001490783427 1394344452 /nfs/dbraw/zinc/34/44/52/1394344452.db2.gz OZZZQZOIGFQHCK-HXUWFJFHSA-N 2 1 345.531 3.089 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001490783427 1394344455 /nfs/dbraw/zinc/34/44/55/1394344455.db2.gz OZZZQZOIGFQHCK-HXUWFJFHSA-N 2 1 345.531 3.089 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001490783427 1394344462 /nfs/dbraw/zinc/34/44/62/1394344462.db2.gz OZZZQZOIGFQHCK-HXUWFJFHSA-N 2 1 345.531 3.089 20 0 EGADMP CCCC[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001490783427 1394344465 /nfs/dbraw/zinc/34/44/65/1394344465.db2.gz OZZZQZOIGFQHCK-HXUWFJFHSA-N 2 1 345.531 3.089 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)c1ccc(Cl)cc1 ZINC001490897507 1394369464 /nfs/dbraw/zinc/36/94/64/1394369464.db2.gz LALIOSORDOWJIF-KBRIMQKVSA-N 2 1 349.906 3.122 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001481692564 1394453439 /nfs/dbraw/zinc/45/34/39/1394453439.db2.gz VBICVFYGCUXIPS-PXNSSMCTSA-N 2 1 345.531 3.403 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1ccccc1F ZINC001491269902 1394498342 /nfs/dbraw/zinc/49/83/42/1394498342.db2.gz QQRCANDPDFUTNJ-IAGOWNOFSA-N 2 1 349.494 3.199 20 0 EGADMP CCCC[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001481771607 1394515469 /nfs/dbraw/zinc/51/54/69/1394515469.db2.gz OJBHUBXUJWXGFS-IBGZPJMESA-N 2 1 337.552 3.364 20 0 EGADMP CCCC[NH+]1CC[C@H](N(CC)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001481771607 1394515471 /nfs/dbraw/zinc/51/54/71/1394515471.db2.gz OJBHUBXUJWXGFS-IBGZPJMESA-N 2 1 337.552 3.364 20 0 EGADMP CCCC[NH+]1CC[C@H](N(CC)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001481771607 1394515472 /nfs/dbraw/zinc/51/54/72/1394515472.db2.gz OJBHUBXUJWXGFS-IBGZPJMESA-N 2 1 337.552 3.364 20 0 EGADMP CCc1ccc(C[N@@H+]2CC[C@@H](N(CC)C(=O)CCC[NH+](C)C)C2)cc1 ZINC001481773165 1394516868 /nfs/dbraw/zinc/51/68/68/1394516868.db2.gz PWBNYKROHPWTMB-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](CCC2CCCCC2)CC1 ZINC001482039473 1394702002 /nfs/dbraw/zinc/70/20/02/1394702002.db2.gz GNDCUZQLMOQICV-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001484757107 1395508129 /nfs/dbraw/zinc/50/81/29/1395508129.db2.gz JHLDNGJVGSJDTJ-SFHVURJKSA-N 2 1 345.531 3.178 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH+](C)[C@@H](C)c2ccccc2)CC1 ZINC001485766740 1396143482 /nfs/dbraw/zinc/14/34/82/1396143482.db2.gz PYXWGBGGISBISS-SFHVURJKSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001485766740 1396143487 /nfs/dbraw/zinc/14/34/87/1396143487.db2.gz PYXWGBGGISBISS-SFHVURJKSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([N@@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001485766740 1396143494 /nfs/dbraw/zinc/14/34/94/1396143494.db2.gz PYXWGBGGISBISS-SFHVURJKSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001492873761 1396327530 /nfs/dbraw/zinc/32/75/30/1396327530.db2.gz SPDUMFAPTHYACZ-LJQANCHMSA-N 2 1 349.494 3.201 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001493240645 1396338654 /nfs/dbraw/zinc/33/86/54/1396338654.db2.gz SPEYTPSUYYUZPS-MSOLQXFVSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001493240645 1396338655 /nfs/dbraw/zinc/33/86/55/1396338655.db2.gz SPEYTPSUYYUZPS-MSOLQXFVSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001493240645 1396338656 /nfs/dbraw/zinc/33/86/56/1396338656.db2.gz SPEYTPSUYYUZPS-MSOLQXFVSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001493240648 1396338705 /nfs/dbraw/zinc/33/87/05/1396338705.db2.gz SPEYTPSUYYUZPS-ZWKOTPCHSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001493240648 1396338706 /nfs/dbraw/zinc/33/87/06/1396338706.db2.gz SPEYTPSUYYUZPS-ZWKOTPCHSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001493240648 1396338707 /nfs/dbraw/zinc/33/87/07/1396338707.db2.gz SPEYTPSUYYUZPS-ZWKOTPCHSA-N 2 1 345.531 3.164 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001494156736 1396388629 /nfs/dbraw/zinc/38/86/29/1396388629.db2.gz IMIHKPJOCCMWKH-MOPGFXCFSA-N 2 1 345.531 3.178 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001494319996 1396430036 /nfs/dbraw/zinc/43/00/36/1396430036.db2.gz BYQBRYCCORFZHX-KRWDZBQOSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCC1 ZINC001495963392 1396579607 /nfs/dbraw/zinc/57/96/07/1396579607.db2.gz IPFWEZGEPZLCDU-IBGZPJMESA-N 2 1 349.563 3.460 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)C1)CC(C)(C)C ZINC001690046784 1404280783 /nfs/dbraw/zinc/28/07/83/1404280783.db2.gz PEKGWBBFDURYNB-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1)CC(C)(C)C ZINC001690046784 1404280786 /nfs/dbraw/zinc/28/07/86/1404280786.db2.gz PEKGWBBFDURYNB-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1)CC(C)(C)C ZINC001690046784 1404280789 /nfs/dbraw/zinc/28/07/89/1404280789.db2.gz PEKGWBBFDURYNB-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001690455563 1404584336 /nfs/dbraw/zinc/58/43/36/1404584336.db2.gz VVDLTHIBABFOEH-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001690455563 1404584340 /nfs/dbraw/zinc/58/43/40/1404584340.db2.gz VVDLTHIBABFOEH-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001690455563 1404584344 /nfs/dbraw/zinc/58/43/44/1404584344.db2.gz VVDLTHIBABFOEH-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001690814864 1404749964 /nfs/dbraw/zinc/74/99/64/1404749964.db2.gz MSLDTXAAKJZESP-ROUUACIJSA-N 2 1 337.552 3.076 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H]2CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001691082134 1405015975 /nfs/dbraw/zinc/01/59/75/1405015975.db2.gz GDPVYXYZCROONL-PKOBYXMFSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@H]2CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001691082133 1405016194 /nfs/dbraw/zinc/01/61/94/1405016194.db2.gz GDPVYXYZCROONL-MJGOQNOKSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](CNC(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001691709370 1405437221 /nfs/dbraw/zinc/43/72/21/1405437221.db2.gz ZGZJEPJAQVHGBH-ZSYWTGECSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@@H+](C)CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001692016335 1405736305 /nfs/dbraw/zinc/73/63/05/1405736305.db2.gz DRINVOAUFQAEEZ-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CC(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001692217805 1405851520 /nfs/dbraw/zinc/85/15/20/1405851520.db2.gz SFECSRMDYCTJJO-KRWDZBQOSA-N 2 1 343.515 3.203 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CC(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001692217805 1405851524 /nfs/dbraw/zinc/85/15/24/1405851524.db2.gz SFECSRMDYCTJJO-KRWDZBQOSA-N 2 1 343.515 3.203 20 0 EGADMP CC[C@@H](C(=O)N1CCC(C[N@@H+](C)C[C@H](C)CC(C)C)CC1)[NH+](C)C ZINC001732087032 1428348079 /nfs/dbraw/zinc/34/80/79/1428348079.db2.gz IDDGVIDYZGRZDM-MJGOQNOKSA-N 2 1 339.568 3.179 20 0 EGADMP CC(C)C[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCC[C@H]1C ZINC001732261418 1428501852 /nfs/dbraw/zinc/50/18/52/1428501852.db2.gz ZCEFVVLRANODEA-YLJYHZDGSA-N 2 1 348.535 3.317 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001732485284 1428608416 /nfs/dbraw/zinc/60/84/16/1428608416.db2.gz HWIZAOQNNUGTAT-WMZOPIPTSA-N 2 1 339.568 3.227 20 0 EGADMP C[C@@H](C[N@@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001699474548 1412865236 /nfs/dbraw/zinc/86/52/36/1412865236.db2.gz QGBFXXOAKGAQBI-IRXDYDNUSA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC1([NH2+]CC2CCCCC2)CCC1 ZINC001700139816 1413559217 /nfs/dbraw/zinc/55/92/17/1413559217.db2.gz VVCCIBOOUFPLOW-UHFFFAOYSA-N 2 1 346.519 3.215 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC001700321294 1413786881 /nfs/dbraw/zinc/78/68/81/1413786881.db2.gz YYSVZDXATDQHAA-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC001700321294 1413786887 /nfs/dbraw/zinc/78/68/87/1413786887.db2.gz YYSVZDXATDQHAA-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC001700321294 1413786888 /nfs/dbraw/zinc/78/68/88/1413786888.db2.gz YYSVZDXATDQHAA-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC[C@@H](C(=O)N(CC[N@@H+](C)Cc1ccccc1C)C(C)C)[NH+](C)C ZINC001700972900 1414601167 /nfs/dbraw/zinc/60/11/67/1414601167.db2.gz BRGFKHPTUXNAHG-IBGZPJMESA-N 2 1 333.520 3.004 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001713060609 1417616531 /nfs/dbraw/zinc/61/65/31/1417616531.db2.gz GSOGKVIAUJGVER-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001713060609 1417616537 /nfs/dbraw/zinc/61/65/37/1417616537.db2.gz GSOGKVIAUJGVER-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001713060609 1417616539 /nfs/dbraw/zinc/61/65/39/1417616539.db2.gz GSOGKVIAUJGVER-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1Cc1cc(C)cc(C)c1 ZINC001713256304 1417857028 /nfs/dbraw/zinc/85/70/28/1417857028.db2.gz DRNUFDBOFZOSOO-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C)cc(C)c1 ZINC001713256304 1417857036 /nfs/dbraw/zinc/85/70/36/1417857036.db2.gz DRNUFDBOFZOSOO-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(C)cc(C)c1 ZINC001713256304 1417857043 /nfs/dbraw/zinc/85/70/43/1417857043.db2.gz DRNUFDBOFZOSOO-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2C[NH2+]CCC2=CCCCC2)C1 ZINC001713267715 1417876838 /nfs/dbraw/zinc/87/68/38/1417876838.db2.gz AQHYLUFCUMSHED-UXHICEINSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001713271396 1417883429 /nfs/dbraw/zinc/88/34/29/1417883429.db2.gz IRMFCBUQUXSNIZ-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001713360958 1417975749 /nfs/dbraw/zinc/97/57/49/1417975749.db2.gz SBLZRZHMBQNUSW-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001713538433 1418295706 /nfs/dbraw/zinc/29/57/06/1418295706.db2.gz LLLTVJHOVVGIGL-ZWKOTPCHSA-N 2 1 348.535 3.127 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001713538433 1418295709 /nfs/dbraw/zinc/29/57/09/1418295709.db2.gz LLLTVJHOVVGIGL-ZWKOTPCHSA-N 2 1 348.535 3.127 20 0 EGADMP CCCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001713714459 1418478351 /nfs/dbraw/zinc/47/83/51/1418478351.db2.gz DYTKOBLIBXMLDB-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C[NH+](C)CCCC3CCC3)CC2)C1 ZINC001713766428 1418579953 /nfs/dbraw/zinc/57/99/53/1418579953.db2.gz ZOMBHEKFWVBNFF-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC(C[N@H+](C)CCCC3CCC3)CC2)C1 ZINC001713766428 1418579955 /nfs/dbraw/zinc/57/99/55/1418579955.db2.gz ZOMBHEKFWVBNFF-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCC(C[N@@H+](C)CCCC3CCC3)CC2)C1 ZINC001713766428 1418579957 /nfs/dbraw/zinc/57/99/57/1418579957.db2.gz ZOMBHEKFWVBNFF-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC12CC[NH+](CCCC(C)(C)C)CC2 ZINC001713848493 1418644416 /nfs/dbraw/zinc/64/44/16/1418644416.db2.gz AJLAWBVQVMXELJ-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCn1ccnc1 ZINC001714145710 1418949704 /nfs/dbraw/zinc/94/97/04/1418949704.db2.gz RFMOSTVUPUEBJZ-RBUKOAKNSA-N 2 1 346.519 3.309 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)[C@H](CC)C1 ZINC001733203845 1429309078 /nfs/dbraw/zinc/30/90/78/1429309078.db2.gz YNALQMUHIWAACO-UXHICEINSA-N 2 1 345.531 3.054 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C)CC2 ZINC001714366735 1419126136 /nfs/dbraw/zinc/12/61/36/1419126136.db2.gz RXFVWEVMVGGXDT-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001714366735 1419126139 /nfs/dbraw/zinc/12/61/39/1419126139.db2.gz RXFVWEVMVGGXDT-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001714366735 1419126140 /nfs/dbraw/zinc/12/61/40/1419126140.db2.gz RXFVWEVMVGGXDT-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCc1cccc(C[NH+](CC)CCNC(=O)[C@H]2CCCC[N@@H+]2CC)c1 ZINC001714601158 1419357824 /nfs/dbraw/zinc/35/78/24/1419357824.db2.gz ZINWTTCLZKNEMM-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCc1cccc(C[NH+](CC)CCNC(=O)[C@H]2CCCC[N@H+]2CC)c1 ZINC001714601158 1419357826 /nfs/dbraw/zinc/35/78/26/1419357826.db2.gz ZINWTTCLZKNEMM-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC/C=C/c1ccccc1)[NH+](C)C ZINC001714622566 1419390515 /nfs/dbraw/zinc/39/05/15/1419390515.db2.gz RCZOBWXRZVMODE-HHWAWRKLSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCCC(C)(C)C)C1CC1 ZINC001714666786 1419455478 /nfs/dbraw/zinc/45/54/78/1419455478.db2.gz UICZHZQWTVWCRP-SFHVURJKSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCCC(C)(C)C)C1CC1 ZINC001714666786 1419455479 /nfs/dbraw/zinc/45/54/79/1419455479.db2.gz UICZHZQWTVWCRP-SFHVURJKSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCCC(C)(C)C)C1CC1 ZINC001714666786 1419455483 /nfs/dbraw/zinc/45/54/83/1419455483.db2.gz UICZHZQWTVWCRP-SFHVURJKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH+](C)[C@H](C)c2ccccc2)CC1 ZINC001714912356 1419659335 /nfs/dbraw/zinc/65/93/35/1419659335.db2.gz GZEDTKHENGCNDE-GOSISDBHSA-N 2 1 345.531 3.260 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC(C[N@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001714912356 1419659336 /nfs/dbraw/zinc/65/93/36/1419659336.db2.gz GZEDTKHENGCNDE-GOSISDBHSA-N 2 1 345.531 3.260 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC(C[N@@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001714912356 1419659337 /nfs/dbraw/zinc/65/93/37/1419659337.db2.gz GZEDTKHENGCNDE-GOSISDBHSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001715066856 1419803314 /nfs/dbraw/zinc/80/33/14/1419803314.db2.gz VOWQUMJWACCUSS-ICSRJNTNSA-N 2 1 345.531 3.081 20 0 EGADMP CC[C@H](CNC(=O)CC[N@@H+](C)CC)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001715079654 1419815778 /nfs/dbraw/zinc/81/57/78/1419815778.db2.gz AAWSIOVBPSQLEF-MJGOQNOKSA-N 2 1 349.494 3.029 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001715192240 1419924019 /nfs/dbraw/zinc/92/40/19/1419924019.db2.gz XZKOUUOCDUEDPP-FHWLQOOXSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](CC2CC(C)C2)CC1 ZINC001715201737 1419934638 /nfs/dbraw/zinc/93/46/38/1419934638.db2.gz JSJLZSMXJGWSDF-LYBXBRPPSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[N@H+](C)CCC1CCCC1 ZINC001716497203 1420722075 /nfs/dbraw/zinc/72/20/75/1420722075.db2.gz JBUCUBPOANBAOT-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[N@@H+](C)CCC1CCCC1 ZINC001716497203 1420722076 /nfs/dbraw/zinc/72/20/76/1420722076.db2.gz JBUCUBPOANBAOT-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP Cc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001716502422 1420730638 /nfs/dbraw/zinc/73/06/38/1420730638.db2.gz RXLRDPVDGNLXQK-SFHVURJKSA-N 2 1 345.531 3.052 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1(C)CC[NH+](Cc2ccccc2F)CC1 ZINC001716799885 1420932998 /nfs/dbraw/zinc/93/29/98/1420932998.db2.gz RIGVIVZRDXPWPX-UHFFFAOYSA-N 2 1 349.494 3.028 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001717197395 1421163545 /nfs/dbraw/zinc/16/35/45/1421163545.db2.gz YCWRGVPJAGMSDW-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001717197395 1421163548 /nfs/dbraw/zinc/16/35/48/1421163548.db2.gz YCWRGVPJAGMSDW-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001717197395 1421163550 /nfs/dbraw/zinc/16/35/50/1421163550.db2.gz YCWRGVPJAGMSDW-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001717202200 1421170541 /nfs/dbraw/zinc/17/05/41/1421170541.db2.gz OMLUNAHDIQVGCV-AZUAARDMSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001717202200 1421170543 /nfs/dbraw/zinc/17/05/43/1421170543.db2.gz OMLUNAHDIQVGCV-AZUAARDMSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001717202200 1421170545 /nfs/dbraw/zinc/17/05/45/1421170545.db2.gz OMLUNAHDIQVGCV-AZUAARDMSA-N 2 1 345.531 3.369 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001717370180 1421307929 /nfs/dbraw/zinc/30/79/29/1421307929.db2.gz CQMZSQWJLAIZPJ-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCC2CCCC2)CC1 ZINC001717495073 1421435393 /nfs/dbraw/zinc/43/53/93/1421435393.db2.gz RSEWWHDTACICRY-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCCC1 ZINC001717539945 1421480256 /nfs/dbraw/zinc/48/02/56/1421480256.db2.gz GBNLKBAKHIZANY-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCCCC1 ZINC001717539945 1421480258 /nfs/dbraw/zinc/48/02/58/1421480258.db2.gz GBNLKBAKHIZANY-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCCCC1 ZINC001717539945 1421480260 /nfs/dbraw/zinc/48/02/60/1421480260.db2.gz GBNLKBAKHIZANY-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCCCC[N@@H+]1CCCC1CCC1 ZINC001717543436 1421484103 /nfs/dbraw/zinc/48/41/03/1421484103.db2.gz YFCIFIPKQIRERH-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCCCC[N@H+]1CCCC1CCC1 ZINC001717543436 1421484107 /nfs/dbraw/zinc/48/41/07/1421484107.db2.gz YFCIFIPKQIRERH-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@H+]1CCCC(C)(C)C ZINC001717855155 1421667202 /nfs/dbraw/zinc/66/72/02/1421667202.db2.gz CTVMJBURFYHYMS-DLBZAZTESA-N 2 1 337.552 3.124 20 0 EGADMP O=C(NCC[N@@H+](CC1CC1)C1CCCCCC1)C12CCC[NH+]1CCC2 ZINC001723640960 1424509297 /nfs/dbraw/zinc/50/92/97/1424509297.db2.gz OCIPFOLYQVSROW-UHFFFAOYSA-N 2 1 347.547 3.166 20 0 EGADMP CCc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[N@H+](C)CC)[C@H](C)C2)cc1 ZINC001723876109 1424595195 /nfs/dbraw/zinc/59/51/95/1424595195.db2.gz PVODMBJCKYFFPA-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC[C@H]1C[NH2+]CC1CCC1)C1CCCCC1 ZINC001723927496 1424605391 /nfs/dbraw/zinc/60/53/91/1424605391.db2.gz DKYQATZLYYJPJD-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCC(CC)C[NH+]1CCC(C)(NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001724015679 1424629793 /nfs/dbraw/zinc/62/97/93/1424629793.db2.gz DYSJNJMIVAXUMT-UHFFFAOYSA-N 2 1 348.535 3.379 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C)CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC001724021813 1424631485 /nfs/dbraw/zinc/63/14/85/1424631485.db2.gz DWZLHVAXOILYOB-UHFFFAOYSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)(C)CCC[N@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001724191402 1424724407 /nfs/dbraw/zinc/72/44/07/1424724407.db2.gz VYRHWIWBEFHNQE-FQEVSTJZSA-N 2 1 337.552 3.269 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCC1 ZINC001724783249 1425149351 /nfs/dbraw/zinc/14/93/51/1425149351.db2.gz IUSWKGSUULIAFK-LJQANCHMSA-N 2 1 349.563 3.458 20 0 EGADMP Cc1ccc(C[N@H+](C)CCCN(C)C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001724856288 1425228374 /nfs/dbraw/zinc/22/83/74/1425228374.db2.gz CQBHYNWDRAIFGQ-UHFFFAOYSA-N 2 1 345.531 3.007 20 0 EGADMP CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001724865256 1425248464 /nfs/dbraw/zinc/24/84/64/1425248464.db2.gz CXOUBUSVSVUFES-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001725007139 1425420577 /nfs/dbraw/zinc/42/05/77/1425420577.db2.gz RFWWQHAPKZXCEB-SQGPQFPESA-N 2 1 345.531 3.450 20 0 EGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]2C)cc1C ZINC001725612742 1426274017 /nfs/dbraw/zinc/27/40/17/1426274017.db2.gz ACCWCKFCCSASAB-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001731461448 1427437534 /nfs/dbraw/zinc/43/75/34/1427437534.db2.gz PYNWTVNCYSDUHJ-LEAZDLGRSA-N 2 1 345.531 3.208 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1CCC([NH2+]Cc2ccc(CF)cc2)CC1 ZINC001731571255 1427612329 /nfs/dbraw/zinc/61/23/29/1427612329.db2.gz BXHHEHCEAOLFNY-UHFFFAOYSA-N 2 1 349.494 3.015 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001731573189 1427615841 /nfs/dbraw/zinc/61/58/41/1427615841.db2.gz RCBAFXOCYKXKAV-UHFFFAOYSA-N 2 1 337.552 3.316 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001731697293 1427747967 /nfs/dbraw/zinc/74/79/67/1427747967.db2.gz CUSWKXJEGLYCLE-RTBURBONSA-N 2 1 337.552 3.316 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)[C@H](C)c1ccc(F)cc1 ZINC001731867841 1428117842 /nfs/dbraw/zinc/11/78/42/1428117842.db2.gz XXDUAVBCGBHFLO-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[C@H](C)c1ccc(F)cc1 ZINC001731867841 1428117844 /nfs/dbraw/zinc/11/78/44/1428117844.db2.gz XXDUAVBCGBHFLO-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)[C@H](C)c1ccc(F)cc1 ZINC001731867841 1428117848 /nfs/dbraw/zinc/11/78/48/1428117848.db2.gz XXDUAVBCGBHFLO-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001733857374 1437689856 /nfs/dbraw/zinc/68/98/56/1437689856.db2.gz JJQDGURXSGVDNP-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001733918467 1437731696 /nfs/dbraw/zinc/73/16/96/1437731696.db2.gz PALVEKKAKNCCJP-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001733918467 1437731699 /nfs/dbraw/zinc/73/16/99/1437731699.db2.gz PALVEKKAKNCCJP-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001733918467 1437731702 /nfs/dbraw/zinc/73/17/02/1437731702.db2.gz PALVEKKAKNCCJP-LJQANCHMSA-N 2 1 337.552 3.220 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@H](C)c1cccc(Cl)c1 ZINC001734055711 1437846045 /nfs/dbraw/zinc/84/60/45/1437846045.db2.gz BNQSHYPAZVXAQL-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001734055711 1437846046 /nfs/dbraw/zinc/84/60/46/1437846046.db2.gz BNQSHYPAZVXAQL-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001734055711 1437846047 /nfs/dbraw/zinc/84/60/47/1437846047.db2.gz BNQSHYPAZVXAQL-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CCC[N@H+]1CC1CCC1 ZINC001734464072 1438120425 /nfs/dbraw/zinc/12/04/25/1438120425.db2.gz XGINEASZLZCJRK-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CCC[NH+]1CC1CCC1 ZINC001734464072 1438120426 /nfs/dbraw/zinc/12/04/26/1438120426.db2.gz XGINEASZLZCJRK-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CCC[NH+]1CC1CCC1 ZINC001734464072 1438120427 /nfs/dbraw/zinc/12/04/27/1438120427.db2.gz XGINEASZLZCJRK-YLJYHZDGSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001734602144 1438183573 /nfs/dbraw/zinc/18/35/73/1438183573.db2.gz QYUPNCVLOSRYCV-UHFFFAOYSA-N 2 1 345.531 3.114 20 0 EGADMP CCc1cccc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C(C)C)c1 ZINC001751975405 1440129844 /nfs/dbraw/zinc/12/98/44/1440129844.db2.gz SWBYVCUNAPDBOJ-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001751975405 1440129845 /nfs/dbraw/zinc/12/98/45/1440129845.db2.gz SWBYVCUNAPDBOJ-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1cccc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001751975405 1440129846 /nfs/dbraw/zinc/12/98/46/1440129846.db2.gz SWBYVCUNAPDBOJ-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CCC1CCCC1 ZINC001751989450 1440131456 /nfs/dbraw/zinc/13/14/56/1440131456.db2.gz NQARXZDJAFATFU-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CCC1CCCC1 ZINC001751989450 1440131457 /nfs/dbraw/zinc/13/14/57/1440131457.db2.gz NQARXZDJAFATFU-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CCC1CCCC1 ZINC001751989450 1440131458 /nfs/dbraw/zinc/13/14/58/1440131458.db2.gz NQARXZDJAFATFU-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1cc(C[N@@H+](C)CCCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)cs1 ZINC001752075604 1440138350 /nfs/dbraw/zinc/13/83/50/1440138350.db2.gz GFLCAAUCWUCUNJ-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[NH+](C)CCCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)cs1 ZINC001752075604 1440138351 /nfs/dbraw/zinc/13/83/51/1440138351.db2.gz GFLCAAUCWUCUNJ-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(C[NH+](C)CCCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)cs1 ZINC001752075604 1440138353 /nfs/dbraw/zinc/13/83/53/1440138353.db2.gz GFLCAAUCWUCUNJ-ZWKOTPCHSA-N 2 1 349.544 3.012 20 0 EGADMP CCC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001752303550 1440168445 /nfs/dbraw/zinc/16/84/45/1440168445.db2.gz ULICXNCYKPBGTQ-LIXSYLKWSA-N 2 1 335.536 3.140 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+](C)C)c1 ZINC001752542019 1440194610 /nfs/dbraw/zinc/19/46/10/1440194610.db2.gz DBGLQEYHPJGNFK-RLLQIKCJSA-N 2 1 343.515 3.073 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001752787134 1440211785 /nfs/dbraw/zinc/21/17/85/1440211785.db2.gz HGDYGALJRIVYRZ-ICSRJNTNSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001752787134 1440211786 /nfs/dbraw/zinc/21/17/86/1440211786.db2.gz HGDYGALJRIVYRZ-ICSRJNTNSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001752787134 1440211787 /nfs/dbraw/zinc/21/17/87/1440211787.db2.gz HGDYGALJRIVYRZ-ICSRJNTNSA-N 2 1 347.547 3.047 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001752790092 1440213527 /nfs/dbraw/zinc/21/35/27/1440213527.db2.gz RJTDIMLVUCDNDB-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001752790092 1440213528 /nfs/dbraw/zinc/21/35/28/1440213528.db2.gz RJTDIMLVUCDNDB-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001752790092 1440213529 /nfs/dbraw/zinc/21/35/29/1440213529.db2.gz RJTDIMLVUCDNDB-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CC1 ZINC001752818979 1440219416 /nfs/dbraw/zinc/21/94/16/1440219416.db2.gz MQWRHJSDDGWMJA-WMZOPIPTSA-N 2 1 346.519 3.167 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1CCCC[N@H+]1CCC1CC1 ZINC001752818979 1440219417 /nfs/dbraw/zinc/21/94/17/1440219417.db2.gz MQWRHJSDDGWMJA-WMZOPIPTSA-N 2 1 346.519 3.167 20 0 EGADMP CCCCC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001752818851 1440219496 /nfs/dbraw/zinc/21/94/96/1440219496.db2.gz KDSGUZZTMACPDG-SFHVURJKSA-N 2 1 337.552 3.412 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001752822347 1440221097 /nfs/dbraw/zinc/22/10/97/1440221097.db2.gz FJYNCUFZSPHJOH-XJDXJNMNSA-N 2 1 349.563 3.435 20 0 EGADMP O=C(C[NH+]1CCCC1)NC[C@H]1CCCC[N@H+]1CCC1CCCCC1 ZINC001752824592 1440222699 /nfs/dbraw/zinc/22/26/99/1440222699.db2.gz AKWKWAFGRJRLHS-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+]1CC(C)C ZINC001752834446 1440226916 /nfs/dbraw/zinc/22/69/16/1440226916.db2.gz SDHZKQLKLPTTCK-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CC(C)C ZINC001752834446 1440226917 /nfs/dbraw/zinc/22/69/17/1440226917.db2.gz SDHZKQLKLPTTCK-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+]1CC(C)C ZINC001752834446 1440226918 /nfs/dbraw/zinc/22/69/18/1440226918.db2.gz SDHZKQLKLPTTCK-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)[C@@H]1CCC[NH+](CC2CC(C)(C)C2)C1 ZINC001752836070 1440227771 /nfs/dbraw/zinc/22/77/71/1440227771.db2.gz KOFFSSXPALIUIP-FUHWJXTLSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H](NC(=O)C[NH+](C)C1CCC1)[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001752836070 1440227772 /nfs/dbraw/zinc/22/77/72/1440227772.db2.gz KOFFSSXPALIUIP-FUHWJXTLSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H](NC(=O)C[NH+](C)C1CCC1)[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001752836070 1440227773 /nfs/dbraw/zinc/22/77/73/1440227773.db2.gz KOFFSSXPALIUIP-FUHWJXTLSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001752836954 1440228276 /nfs/dbraw/zinc/22/82/76/1440228276.db2.gz QEFOGOVLOZSFBU-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001752839137 1440229352 /nfs/dbraw/zinc/22/93/52/1440229352.db2.gz BRKBTQTXMXGYIM-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH2+]C1CCC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001752853388 1440234118 /nfs/dbraw/zinc/23/41/18/1440234118.db2.gz HUROISMMDJCSHF-LADRWXRNSA-N 2 1 341.515 3.016 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001752994355 1440261316 /nfs/dbraw/zinc/26/13/16/1440261316.db2.gz AINXYYDQOOHJSP-SFHVURJKSA-N 2 1 337.552 3.364 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001753068355 1440286723 /nfs/dbraw/zinc/28/67/23/1440286723.db2.gz BHRJNMDUKMAOIH-LJQANCHMSA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)c1ccc([C@H](C)[N@@H+](C)CCNC(=O)C[NH+]2CCCC2)cc1 ZINC001753073901 1440290046 /nfs/dbraw/zinc/29/00/46/1440290046.db2.gz QTFOLHIFQOOPSP-KRWDZBQOSA-N 2 1 331.504 3.015 20 0 EGADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)CCCC(C)(C)C)[NH+]1CCCCC1 ZINC001753074922 1440290840 /nfs/dbraw/zinc/29/08/40/1440290840.db2.gz WNUHWRPAYNEDKM-SFHVURJKSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)[C@H]1CCc2ccccc21 ZINC001753088366 1440297493 /nfs/dbraw/zinc/29/74/93/1440297493.db2.gz GCJHPNGEPHIQHE-IBGZPJMESA-N 2 1 345.531 3.090 20 0 EGADMP CC[NH+](CCNC(=O)C[N@H+](C)CC(C)(C)C)[C@H]1CCc2ccccc21 ZINC001753088366 1440297494 /nfs/dbraw/zinc/29/74/94/1440297494.db2.gz GCJHPNGEPHIQHE-IBGZPJMESA-N 2 1 345.531 3.090 20 0 EGADMP CC[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1CCc2ccccc21 ZINC001753088366 1440297495 /nfs/dbraw/zinc/29/74/95/1440297495.db2.gz GCJHPNGEPHIQHE-IBGZPJMESA-N 2 1 345.531 3.090 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001753105239 1440305923 /nfs/dbraw/zinc/30/59/23/1440305923.db2.gz ANQCZLIRQZORHD-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001753105239 1440305924 /nfs/dbraw/zinc/30/59/24/1440305924.db2.gz ANQCZLIRQZORHD-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP CCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001753105239 1440305925 /nfs/dbraw/zinc/30/59/25/1440305925.db2.gz ANQCZLIRQZORHD-MOPGFXCFSA-N 2 1 335.536 3.164 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCC2)CCCCC1 ZINC001753108242 1440307284 /nfs/dbraw/zinc/30/72/84/1440307284.db2.gz KZEXFIDKTAEFOR-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)NC[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC001753116458 1440311620 /nfs/dbraw/zinc/31/16/20/1440311620.db2.gz VXBYRLYNRGKATA-FQEVSTJZSA-N 2 1 349.563 3.413 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC1CCCC1 ZINC001753149326 1440326731 /nfs/dbraw/zinc/32/67/31/1440326731.db2.gz WYWIVHXHRKVXGW-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[N@H+](CCC(C)(C)C)C1CC1 ZINC001753160775 1440333597 /nfs/dbraw/zinc/33/35/97/1440333597.db2.gz AAKUNAMVZPWOEN-UHFFFAOYSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC[N@@H+](CCC(C)(C)C)C1CC1 ZINC001753160775 1440333598 /nfs/dbraw/zinc/33/35/98/1440333598.db2.gz AAKUNAMVZPWOEN-UHFFFAOYSA-N 2 1 334.508 3.023 20 0 EGADMP CN(CC[NH2+]CC1=CCCCC1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001753189960 1440337545 /nfs/dbraw/zinc/33/75/45/1440337545.db2.gz UFXYUYKRONMWQH-IBGZPJMESA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H]([NH2+]CCC(C)(C)C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001753273829 1440345848 /nfs/dbraw/zinc/34/58/48/1440345848.db2.gz MUZICSFZIWSYNN-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC1CCC1 ZINC001753293036 1440351105 /nfs/dbraw/zinc/35/11/05/1440351105.db2.gz VNDBGQASMKFKJQ-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001753293364 1440351149 /nfs/dbraw/zinc/35/11/49/1440351149.db2.gz CVOOTWFUZYUUMD-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C(C)C ZINC001753293364 1440351150 /nfs/dbraw/zinc/35/11/50/1440351150.db2.gz CVOOTWFUZYUUMD-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C(C)C ZINC001753293364 1440351151 /nfs/dbraw/zinc/35/11/51/1440351151.db2.gz CVOOTWFUZYUUMD-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CCCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001753316363 1440359666 /nfs/dbraw/zinc/35/96/66/1440359666.db2.gz PUHDBBWTWDQLNK-FUHWJXTLSA-N 2 1 346.519 3.120 20 0 EGADMP CCCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001753316363 1440359667 /nfs/dbraw/zinc/35/96/67/1440359667.db2.gz PUHDBBWTWDQLNK-FUHWJXTLSA-N 2 1 346.519 3.120 20 0 EGADMP CCCN(C(=O)C[NH+](C)CCC)[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001753319143 1440361822 /nfs/dbraw/zinc/36/18/22/1440361822.db2.gz BBDWLSMXHBWYMJ-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)C[N@H+](C)CCC)[C@@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001753319143 1440361823 /nfs/dbraw/zinc/36/18/23/1440361823.db2.gz BBDWLSMXHBWYMJ-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CCC)[C@@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001753319143 1440361824 /nfs/dbraw/zinc/36/18/24/1440361824.db2.gz BBDWLSMXHBWYMJ-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP C[NH+](C)CC1(C(=O)NCC[C@@H]2CC[N@@H+](CCC3=CCCCC3)C2)CC1 ZINC001753336689 1440372857 /nfs/dbraw/zinc/37/28/57/1440372857.db2.gz YPZAMESLVSQRGL-LJQANCHMSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001753359294 1440381731 /nfs/dbraw/zinc/38/17/31/1440381731.db2.gz WJODNHHQOGOSSB-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001753359294 1440381732 /nfs/dbraw/zinc/38/17/32/1440381732.db2.gz WJODNHHQOGOSSB-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001753359294 1440381733 /nfs/dbraw/zinc/38/17/33/1440381733.db2.gz WJODNHHQOGOSSB-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC/C=C/CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001753359869 1440381999 /nfs/dbraw/zinc/38/19/99/1440381999.db2.gz MVNCQUVYYUWCIK-RLWBPELLSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001753360019 1440382280 /nfs/dbraw/zinc/38/22/80/1440382280.db2.gz OGYMLLAAOQJCDE-IAGOWNOFSA-N 2 1 349.494 3.007 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001753360019 1440382281 /nfs/dbraw/zinc/38/22/81/1440382281.db2.gz OGYMLLAAOQJCDE-IAGOWNOFSA-N 2 1 349.494 3.007 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001753360019 1440382282 /nfs/dbraw/zinc/38/22/82/1440382282.db2.gz OGYMLLAAOQJCDE-IAGOWNOFSA-N 2 1 349.494 3.007 20 0 EGADMP CC/C=C/CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001753364022 1440384073 /nfs/dbraw/zinc/38/40/73/1440384073.db2.gz MEUNRXDQZZEELM-ROUKRRSUSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001753364022 1440384074 /nfs/dbraw/zinc/38/40/74/1440384074.db2.gz MEUNRXDQZZEELM-ROUKRRSUSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001753364022 1440384075 /nfs/dbraw/zinc/38/40/75/1440384075.db2.gz MEUNRXDQZZEELM-ROUKRRSUSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)=CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001753367057 1440385845 /nfs/dbraw/zinc/38/58/45/1440385845.db2.gz UMYWTVLAQGRMCF-FQEVSTJZSA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)=CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001753367057 1440385846 /nfs/dbraw/zinc/38/58/46/1440385846.db2.gz UMYWTVLAQGRMCF-FQEVSTJZSA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001753367057 1440385847 /nfs/dbraw/zinc/38/58/47/1440385847.db2.gz UMYWTVLAQGRMCF-FQEVSTJZSA-N 2 1 349.563 3.386 20 0 EGADMP C[N@@H+](CCC1CCCC1)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001753367554 1440386368 /nfs/dbraw/zinc/38/63/68/1440386368.db2.gz OJTHCWOGWUXTNI-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCC1CCCC1)CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001753367554 1440386369 /nfs/dbraw/zinc/38/63/69/1440386369.db2.gz OJTHCWOGWUXTNI-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCC1CCCC1)CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001753367554 1440386370 /nfs/dbraw/zinc/38/63/70/1440386370.db2.gz OJTHCWOGWUXTNI-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CCCCC1 ZINC001753427027 1440397007 /nfs/dbraw/zinc/39/70/07/1440397007.db2.gz AGUYGYIKTFCYAS-PMACEKPBSA-N 2 1 345.531 3.038 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N[C@](C)(C[NH2+]CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001753528092 1440430146 /nfs/dbraw/zinc/43/01/46/1440430146.db2.gz UCAZVFGCHZKLAE-DYESRHJHSA-N 2 1 349.563 3.029 20 0 EGADMP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001753581715 1440440285 /nfs/dbraw/zinc/44/02/85/1440440285.db2.gz YSRXZYXNCTWORE-GUDVDZBRSA-N 2 1 335.536 3.090 20 0 EGADMP CC[C@@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001753591225 1440442858 /nfs/dbraw/zinc/44/28/58/1440442858.db2.gz QHXDWBIEZNCSJO-YLJYHZDGSA-N 2 1 345.531 3.311 20 0 EGADMP CC[C@H](C)C[NH+]1CCC(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001753595426 1440444456 /nfs/dbraw/zinc/44/44/56/1440444456.db2.gz XUMOWMZWCKFTHL-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001753690121 1440466401 /nfs/dbraw/zinc/46/64/01/1440466401.db2.gz SVEVOKCKORMSSA-IEBWSBKVSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH2+]C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CCCCC1 ZINC001753749543 1440482170 /nfs/dbraw/zinc/48/21/70/1440482170.db2.gz LZLLEKBJHXQXFS-UXHICEINSA-N 2 1 345.531 3.352 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCCC1CCCC1 ZINC001753772952 1440485941 /nfs/dbraw/zinc/48/59/41/1440485941.db2.gz LUHDZUFCKLKSIR-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H](F)CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001753794966 1440489545 /nfs/dbraw/zinc/48/95/45/1440489545.db2.gz FIXIZYBSXSOIBE-DLBZAZTESA-N 2 1 343.531 3.073 20 0 EGADMP CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001753821238 1440496164 /nfs/dbraw/zinc/49/61/64/1440496164.db2.gz VIXKJDNNAPXQQU-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001753821238 1440496165 /nfs/dbraw/zinc/49/61/65/1440496165.db2.gz VIXKJDNNAPXQQU-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001753821238 1440496166 /nfs/dbraw/zinc/49/61/66/1440496166.db2.gz VIXKJDNNAPXQQU-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2ccccc2)C(C)C)C1 ZINC001753837750 1440501703 /nfs/dbraw/zinc/50/17/03/1440501703.db2.gz OSHFTDYEAANFIG-WOJBJXKFSA-N 2 1 345.531 3.039 20 0 EGADMP C[C@H](c1ccccc1F)[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001753855231 1440508519 /nfs/dbraw/zinc/50/85/19/1440508519.db2.gz PQGHCMVJAWRVIR-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H](c1ccccc1F)[N@@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001753855231 1440508520 /nfs/dbraw/zinc/50/85/20/1440508520.db2.gz PQGHCMVJAWRVIR-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H](c1ccccc1F)[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001753855231 1440508521 /nfs/dbraw/zinc/50/85/21/1440508521.db2.gz PQGHCMVJAWRVIR-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H](c1ccccc1F)[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001753855231 1440508522 /nfs/dbraw/zinc/50/85/22/1440508522.db2.gz PQGHCMVJAWRVIR-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001753971286 1440527140 /nfs/dbraw/zinc/52/71/40/1440527140.db2.gz WBNOXPVIONFRRH-YLJYHZDGSA-N 2 1 343.515 3.078 20 0 EGADMP CCN(CC[NH2+]CC1CCCC1)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001754054729 1440536097 /nfs/dbraw/zinc/53/60/97/1440536097.db2.gz NPOGFTDFCGTCNG-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001754267031 1440560874 /nfs/dbraw/zinc/56/08/74/1440560874.db2.gz SUWBXOJDLJDPJN-PKOBYXMFSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001754330756 1440583717 /nfs/dbraw/zinc/58/37/17/1440583717.db2.gz NTQMPKJWRGCLDF-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001754330756 1440583718 /nfs/dbraw/zinc/58/37/18/1440583718.db2.gz NTQMPKJWRGCLDF-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001754330756 1440583719 /nfs/dbraw/zinc/58/37/19/1440583719.db2.gz NTQMPKJWRGCLDF-LSDHHAIUSA-N 2 1 339.911 3.179 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001754374282 1440592891 /nfs/dbraw/zinc/59/28/91/1440592891.db2.gz YXZMFKXEOIDOAP-QUCCMNQESA-N 2 1 345.531 3.369 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH2+]CCC2CCCCC2)C2CC2)CC[N@H+]1C ZINC001754449529 1440600808 /nfs/dbraw/zinc/60/08/08/1440600808.db2.gz TWFPMNAWGZXLIU-FFZOFVMBSA-N 2 1 349.563 3.172 20 0 EGADMP CCCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1CC ZINC001754466527 1440604397 /nfs/dbraw/zinc/60/43/97/1440604397.db2.gz FXBZLWRMEJPVCR-MSOLQXFVSA-N 2 1 348.535 3.413 20 0 EGADMP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001754538607 1440625488 /nfs/dbraw/zinc/62/54/88/1440625488.db2.gz MYURBCBSAMUVLO-VQTJNVASSA-N 2 1 347.547 3.142 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001754542285 1440626446 /nfs/dbraw/zinc/62/64/46/1440626446.db2.gz LMKHNEZNMMOVID-ZOYAEOFMSA-N 2 1 347.547 3.281 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001754542285 1440626447 /nfs/dbraw/zinc/62/64/47/1440626447.db2.gz LMKHNEZNMMOVID-ZOYAEOFMSA-N 2 1 347.547 3.281 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001754542285 1440626448 /nfs/dbraw/zinc/62/64/48/1440626448.db2.gz LMKHNEZNMMOVID-ZOYAEOFMSA-N 2 1 347.547 3.281 20 0 EGADMP CCC/C=C/CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001754628567 1440647029 /nfs/dbraw/zinc/64/70/29/1440647029.db2.gz YCWONAPTLUQXNS-PXEQJPNCSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CCCC1 ZINC001754655722 1440653335 /nfs/dbraw/zinc/65/33/35/1440653335.db2.gz SNJIVCXKKZRKBR-RTBURBONSA-N 2 1 337.552 3.170 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001754679315 1440661352 /nfs/dbraw/zinc/66/13/52/1440661352.db2.gz PHMFKPWGNULOJD-QUCCMNQESA-N 2 1 331.504 3.060 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1(C)CC[NH+](CC(C)C)CC1 ZINC001754716005 1440671541 /nfs/dbraw/zinc/67/15/41/1440671541.db2.gz KFPWQAORHPJWMS-KRWDZBQOSA-N 2 1 348.535 3.271 20 0 EGADMP CC/C=C/CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001754717915 1440672130 /nfs/dbraw/zinc/67/21/30/1440672130.db2.gz IVNVIEUXWQXAJJ-DUMMIQTOSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC1(C)CC[NH+](CCC2=CCCCC2)CC1 ZINC001754722033 1440673583 /nfs/dbraw/zinc/67/35/83/1440673583.db2.gz JMNVUIJVWAOSRD-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@]2(C)CCC[N@@H+](CCC3CCCC3)C2)CCC1 ZINC001754727921 1440677553 /nfs/dbraw/zinc/67/75/53/1440677553.db2.gz PXMAXHVWSYIDLD-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001754831573 1440695549 /nfs/dbraw/zinc/69/55/49/1440695549.db2.gz GWHDNSQLHSXBFC-VBUUOAMHSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001754831573 1440695550 /nfs/dbraw/zinc/69/55/50/1440695550.db2.gz GWHDNSQLHSXBFC-VBUUOAMHSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001754831573 1440695551 /nfs/dbraw/zinc/69/55/51/1440695551.db2.gz GWHDNSQLHSXBFC-VBUUOAMHSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001754914777 1440708477 /nfs/dbraw/zinc/70/84/77/1440708477.db2.gz MICNAKMUDRTDLQ-PKOBYXMFSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CCC3CCCC3)C2)CC[N@H+]1C ZINC001754915854 1440708736 /nfs/dbraw/zinc/70/87/36/1440708736.db2.gz KFOMISZPSPFOMK-HSALFYBXSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CCCC(C)C)CC3)CC[N@H+]1C ZINC001754962089 1440717791 /nfs/dbraw/zinc/71/77/91/1440717791.db2.gz QOWBHQPIOPXMPL-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC001755031660 1440731907 /nfs/dbraw/zinc/73/19/07/1440731907.db2.gz XGDYOIPJOFZNFF-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)CC1 ZINC001755031660 1440731908 /nfs/dbraw/zinc/73/19/08/1440731908.db2.gz XGDYOIPJOFZNFF-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C)c(C)c2)CC1 ZINC001755031660 1440731909 /nfs/dbraw/zinc/73/19/09/1440731909.db2.gz XGDYOIPJOFZNFF-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP Cc1c(C(=O)N(C)CCC[N@H+](C)CC2CC(C)C2)ccc2c[nH+]cn21 ZINC001755040148 1440736631 /nfs/dbraw/zinc/73/66/31/1440736631.db2.gz KXDMXHCEDLMICT-UHFFFAOYSA-N 2 1 342.487 3.083 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001755043344 1440738812 /nfs/dbraw/zinc/73/88/12/1440738812.db2.gz SNIWQPJOKFDENV-AZUAARDMSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001755043344 1440738813 /nfs/dbraw/zinc/73/88/13/1440738813.db2.gz SNIWQPJOKFDENV-AZUAARDMSA-N 2 1 345.531 3.260 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001755043344 1440738814 /nfs/dbraw/zinc/73/88/14/1440738814.db2.gz SNIWQPJOKFDENV-AZUAARDMSA-N 2 1 345.531 3.260 20 0 EGADMP CN(CCC[N@@H+](C)CCC(C)(C)C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001755044329 1440739612 /nfs/dbraw/zinc/73/96/12/1440739612.db2.gz QDKGHJXWWCLFSB-MSOLQXFVSA-N 2 1 339.568 3.323 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]C/C=C\Cl)C1)c1ccccc1 ZINC001755102692 1440753605 /nfs/dbraw/zinc/75/36/05/1440753605.db2.gz UPPSNDLULGPQPW-JIMNIMLASA-N 2 1 349.906 3.013 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001755142756 1440761662 /nfs/dbraw/zinc/76/16/62/1440761662.db2.gz FELDMLYQCAEVHM-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C)cs1 ZINC001755162667 1440765590 /nfs/dbraw/zinc/76/55/90/1440765590.db2.gz YBMKYJRRHKPPKT-RHSMWYFYSA-N 2 1 349.544 3.010 20 0 EGADMP CC/C=C/CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001755197622 1440777760 /nfs/dbraw/zinc/77/77/60/1440777760.db2.gz YNDTXAVSRGMGLU-DKFQHHCZSA-N 2 1 335.536 3.140 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CCC(C)(C)C)[NH+](CC)CC ZINC001755198805 1440778464 /nfs/dbraw/zinc/77/84/64/1440778464.db2.gz HRLNKTHADZVLJB-ZWKOTPCHSA-N 2 1 339.568 3.466 20 0 EGADMP CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001755204657 1440781808 /nfs/dbraw/zinc/78/18/08/1440781808.db2.gz MBZXZHFLKQPNNI-RBUKOAKNSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CC2CC(NC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001755221688 1440784787 /nfs/dbraw/zinc/78/47/87/1440784787.db2.gz HLBSVZBHWDXFLU-LMDPOFIKSA-N 2 1 345.531 3.189 20 0 EGADMP CCCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001755363371 1440832961 /nfs/dbraw/zinc/83/29/61/1440832961.db2.gz IILVHVPECRVHNR-OALUTQOASA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001755363371 1440832962 /nfs/dbraw/zinc/83/29/62/1440832962.db2.gz IILVHVPECRVHNR-OALUTQOASA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001755363371 1440832963 /nfs/dbraw/zinc/83/29/63/1440832963.db2.gz IILVHVPECRVHNR-OALUTQOASA-N 2 1 337.552 3.412 20 0 EGADMP CC(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001755366291 1440834567 /nfs/dbraw/zinc/83/45/67/1440834567.db2.gz OTNCXXYDVTXHAT-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001755376550 1440838306 /nfs/dbraw/zinc/83/83/06/1440838306.db2.gz FQXSWCFNTACHBN-AEFFLSMTSA-N 2 1 337.552 3.122 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001755413232 1440847203 /nfs/dbraw/zinc/84/72/03/1440847203.db2.gz VMWKNUGTCPPGCR-YMHTTXFNSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001755413232 1440847204 /nfs/dbraw/zinc/84/72/04/1440847204.db2.gz VMWKNUGTCPPGCR-YMHTTXFNSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001755413232 1440847205 /nfs/dbraw/zinc/84/72/05/1440847205.db2.gz VMWKNUGTCPPGCR-YMHTTXFNSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)[C@H](C(=O)N[C@H]1C[N@@H+](CC2CCCC2)CC1(C)C)[NH+]1CCCC1 ZINC001755415940 1440848838 /nfs/dbraw/zinc/84/88/38/1440848838.db2.gz NWNONXJBXSNNQR-RBUKOAKNSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)CC1(C)C)[NH+]1CCCC1 ZINC001755415938 1440849006 /nfs/dbraw/zinc/84/90/06/1440849006.db2.gz NWNONXJBXSNNQR-MOPGFXCFSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001755472514 1440859033 /nfs/dbraw/zinc/85/90/33/1440859033.db2.gz XWRVSULQXYRXDH-KZNAEPCWSA-N 2 1 337.552 3.172 20 0 EGADMP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1)c1ccccc1 ZINC001755473809 1440859165 /nfs/dbraw/zinc/85/91/65/1440859165.db2.gz XSBKHLADELLBOL-ZULIPRJHSA-N 2 1 343.515 3.106 20 0 EGADMP C[N@@H+](CCCC1CCC1)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001755530644 1440867019 /nfs/dbraw/zinc/86/70/19/1440867019.db2.gz KNVLUJXBCVXCJE-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCC1)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001755530644 1440867020 /nfs/dbraw/zinc/86/70/20/1440867020.db2.gz KNVLUJXBCVXCJE-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCC1)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001755530644 1440867021 /nfs/dbraw/zinc/86/70/21/1440867021.db2.gz KNVLUJXBCVXCJE-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@@H+](C)C1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001755531485 1440867532 /nfs/dbraw/zinc/86/75/32/1440867532.db2.gz QIXKWUHVKAUYJV-UHFFFAOYSA-N 2 1 337.552 3.364 20 0 EGADMP CCCC[NH+](C)C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001755531485 1440867533 /nfs/dbraw/zinc/86/75/33/1440867533.db2.gz QIXKWUHVKAUYJV-UHFFFAOYSA-N 2 1 337.552 3.364 20 0 EGADMP CCCC[NH+](C)C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001755531485 1440867534 /nfs/dbraw/zinc/86/75/34/1440867534.db2.gz QIXKWUHVKAUYJV-UHFFFAOYSA-N 2 1 337.552 3.364 20 0 EGADMP C[NH+](C)CCCC(=O)N1CCC([N@@H+](C)CCC2=CCCCC2)CC1 ZINC001755532331 1440867978 /nfs/dbraw/zinc/86/79/78/1440867978.db2.gz LBGMLZKIKXFGGH-UHFFFAOYSA-N 2 1 335.536 3.142 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)[C@@H]1C ZINC001755663681 1440893146 /nfs/dbraw/zinc/89/31/46/1440893146.db2.gz NIUSKZCQYAEPLZ-FUHWJXTLSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CCC[N@H+]1CC1CC1 ZINC001755716910 1440905349 /nfs/dbraw/zinc/90/53/49/1440905349.db2.gz POKYVJNMSGYKOE-YJBOKZPZSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCC[NH+]1CC1CC1 ZINC001755716910 1440905350 /nfs/dbraw/zinc/90/53/50/1440905350.db2.gz POKYVJNMSGYKOE-YJBOKZPZSA-N 2 1 335.536 3.019 20 0 EGADMP C[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCC[NH+]1CC1CC1 ZINC001755716910 1440905351 /nfs/dbraw/zinc/90/53/51/1440905351.db2.gz POKYVJNMSGYKOE-YJBOKZPZSA-N 2 1 335.536 3.019 20 0 EGADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c1 ZINC001755720120 1440906955 /nfs/dbraw/zinc/90/69/55/1440906955.db2.gz CPYFDQMPYPJXGG-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC001755764469 1440915743 /nfs/dbraw/zinc/91/57/43/1440915743.db2.gz TZRGRBIHARALJW-MSOLQXFVSA-N 2 1 337.552 3.122 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)(C)C ZINC001755821838 1440925991 /nfs/dbraw/zinc/92/59/91/1440925991.db2.gz KGWIGFSQKANSNN-XHVFGDHJSA-N 2 1 337.552 3.194 20 0 EGADMP CC/C=C\CC[NH+]1CCC(C2(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001755868809 1440938419 /nfs/dbraw/zinc/93/84/19/1440938419.db2.gz HYBDDABEVFJSMY-XDXAGZTOSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC1=CC[NH+](CCC2CC2)CC1 ZINC001755889332 1440941056 /nfs/dbraw/zinc/94/10/56/1440941056.db2.gz FXWCRVNMLUHMDX-UHFFFAOYSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)NCC1=CC[N@H+](CCC2CC2)CC1 ZINC001755889332 1440941057 /nfs/dbraw/zinc/94/10/57/1440941057.db2.gz FXWCRVNMLUHMDX-UHFFFAOYSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+](C1CCCC1)C(C)(C)C(=O)NCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001755889332 1440941058 /nfs/dbraw/zinc/94/10/58/1440941058.db2.gz FXWCRVNMLUHMDX-UHFFFAOYSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc3[nH]ccc3c[nH+]1)[C@H]2C ZINC001164862530 720933199 /nfs/dbraw/zinc/93/31/99/720933199.db2.gz WFZCRXGVSPRNNC-AWEZNQCLSA-N 2 1 338.459 3.181 20 0 EGADMP Nc1cccc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)[nH+]1 ZINC001164993189 722196288 /nfs/dbraw/zinc/19/62/88/722196288.db2.gz CIYKYEYLQJKNOI-LJQANCHMSA-N 2 1 326.419 3.048 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824947768 947003495 /nfs/dbraw/zinc/00/34/95/947003495.db2.gz QMGCLMUHBBMXCR-HZPDHXFCSA-N 2 1 342.491 3.029 20 0 EGADMP C[N@@H+](CCCO)C1CC[NH+]([C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187297758 529894048 /nfs/dbraw/zinc/89/40/48/529894048.db2.gz UPBVIBMNZGZYIG-SFTDATJTSA-N 2 1 330.516 3.275 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000178699912 232389236 /nfs/dbraw/zinc/38/92/36/232389236.db2.gz PWPNRYUFWFNYHH-GJZGRUSLSA-N 2 1 329.444 3.167 20 0 EGADMP COc1cccc2cc([C@@H](C)[NH2+]CCCN3CCC[N@@H+](C)CC3)oc21 ZINC000181705926 234293689 /nfs/dbraw/zinc/29/36/89/234293689.db2.gz VBABUVIKMZQIGZ-MRXNPFEDSA-N 2 1 345.487 3.120 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)CC[N@H+]1C ZINC000151163063 291082571 /nfs/dbraw/zinc/08/25/71/291082571.db2.gz NXOQWGANGUODGV-YJBOKZPZSA-N 2 1 336.907 3.461 20 0 EGADMP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000187994059 236374418 /nfs/dbraw/zinc/37/44/18/236374418.db2.gz GCEKKLMIBNLNPS-PWRODBHTSA-N 2 1 330.516 3.323 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000036999915 213129678 /nfs/dbraw/zinc/12/96/78/213129678.db2.gz MOOZKOWGVIDVJH-CYBMUJFWSA-N 2 1 325.294 3.454 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000193207000 240058567 /nfs/dbraw/zinc/05/85/67/240058567.db2.gz AIVSQZHIPDOOQZ-MRXNPFEDSA-N 2 1 336.888 3.258 20 0 EGADMP CC1CC[NH+](Cc2ccc(NC(=O)c3csc(C[NH3+])n3)cc2)CC1 ZINC000236637574 242301686 /nfs/dbraw/zinc/30/16/86/242301686.db2.gz PFFWMADKZTXJCQ-UHFFFAOYSA-N 2 1 344.484 3.086 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000247129534 243378706 /nfs/dbraw/zinc/37/87/06/243378706.db2.gz VISQYFNJYVVYNU-ZWOKBUDYSA-N 2 1 334.504 3.483 20 0 EGADMP CCC[C@](C)([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262680022 245114480 /nfs/dbraw/zinc/11/44/80/245114480.db2.gz WHIHPTXPCJCGKT-POAQFYNOSA-N 2 1 331.504 3.015 20 0 EGADMP CCC[C@](C)([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262697850 245128883 /nfs/dbraw/zinc/12/88/83/245128883.db2.gz FOLMZEKKPGVTOO-JXFKEZNVSA-N 2 1 331.504 3.052 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000263230055 245365195 /nfs/dbraw/zinc/36/51/95/245365195.db2.gz BUUPZTSBNCSODH-LPHOPBHVSA-N 2 1 343.515 3.195 20 0 EGADMP Cc1cc2ncc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c(C)n2n1 ZINC000091725858 218054730 /nfs/dbraw/zinc/05/47/30/218054730.db2.gz OCMYRIQNLXDRIC-WMLDXEAASA-N 2 1 331.508 3.363 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000093742250 218245744 /nfs/dbraw/zinc/24/57/44/218245744.db2.gz VYNKJWXZOLLVEC-OAHLLOKOSA-N 2 1 330.451 3.380 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000093742250 218245746 /nfs/dbraw/zinc/24/57/46/218245746.db2.gz VYNKJWXZOLLVEC-OAHLLOKOSA-N 2 1 330.451 3.380 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000093742250 218245748 /nfs/dbraw/zinc/24/57/48/218245748.db2.gz VYNKJWXZOLLVEC-OAHLLOKOSA-N 2 1 330.451 3.380 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000093742250 218245751 /nfs/dbraw/zinc/24/57/51/218245751.db2.gz VYNKJWXZOLLVEC-OAHLLOKOSA-N 2 1 330.451 3.380 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCc2cccnc2)C1 ZINC000093770525 218248072 /nfs/dbraw/zinc/24/80/72/218248072.db2.gz FOKRQFVPKHJEQD-IBGZPJMESA-N 2 1 339.483 3.434 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCc2cccnc2)C1 ZINC000093770525 218248074 /nfs/dbraw/zinc/24/80/74/218248074.db2.gz FOKRQFVPKHJEQD-IBGZPJMESA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000093770525 218248076 /nfs/dbraw/zinc/24/80/76/218248076.db2.gz FOKRQFVPKHJEQD-IBGZPJMESA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000093770525 218248079 /nfs/dbraw/zinc/24/80/79/218248079.db2.gz FOKRQFVPKHJEQD-IBGZPJMESA-N 2 1 339.483 3.434 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000268788893 252239930 /nfs/dbraw/zinc/23/99/30/252239930.db2.gz CHPITJYQOLYGEZ-CQSZACIVSA-N 2 1 326.506 3.036 20 0 EGADMP COc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2C)ccc1OC(F)F ZINC000268833368 252281904 /nfs/dbraw/zinc/28/19/04/252281904.db2.gz SVYUTAGPTWYVPW-NSHDSACASA-N 2 1 325.359 3.152 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268852112 252300287 /nfs/dbraw/zinc/30/02/87/252300287.db2.gz HJJZAEKJNFSOMD-GHTZIAJQSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268852112 252300292 /nfs/dbraw/zinc/30/02/92/252300292.db2.gz HJJZAEKJNFSOMD-GHTZIAJQSA-N 3 1 329.532 3.361 20 0 EGADMP CSc1cccc(NC(=O)[C@H](C)[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000130632702 533025996 /nfs/dbraw/zinc/02/59/96/533025996.db2.gz BJSFXZIXKSSVDT-AWEZNQCLSA-N 2 1 346.500 3.263 20 0 EGADMP CSc1cccc(NC(=O)[C@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000130632702 533026002 /nfs/dbraw/zinc/02/60/02/533026002.db2.gz BJSFXZIXKSSVDT-AWEZNQCLSA-N 2 1 346.500 3.263 20 0 EGADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@H](C)c1nc2ccccc2s1 ZINC000168306530 533361066 /nfs/dbraw/zinc/36/10/66/533361066.db2.gz NJACCMGKFAERCV-LSDHHAIUSA-N 2 1 347.528 3.489 20 0 EGADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1Br ZINC000130615064 533572227 /nfs/dbraw/zinc/57/22/27/533572227.db2.gz SKHOZZQTEFSCSV-GUTXKFCHSA-N 2 1 339.277 3.017 20 0 EGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1Br ZINC000130615064 533572230 /nfs/dbraw/zinc/57/22/30/533572230.db2.gz SKHOZZQTEFSCSV-GUTXKFCHSA-N 2 1 339.277 3.017 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@]4(CCSC4)C3)CC2)cc1 ZINC000176387034 285474284 /nfs/dbraw/zinc/47/42/84/285474284.db2.gz NRLISOLXQMCSLJ-WOJBJXKFSA-N 2 1 346.540 3.295 20 0 EGADMP C[C@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000246505037 141012765 /nfs/dbraw/zinc/01/27/65/141012765.db2.gz QDZFQHDXTQIXSJ-MJQMVNBJSA-N 2 1 345.531 3.195 20 0 EGADMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000246955443 141045923 /nfs/dbraw/zinc/04/59/23/141045923.db2.gz IHWCJRDNHOAYQT-JTDSTZFVSA-N 2 1 331.504 3.035 20 0 EGADMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000246955443 141045924 /nfs/dbraw/zinc/04/59/24/141045924.db2.gz IHWCJRDNHOAYQT-JTDSTZFVSA-N 2 1 331.504 3.035 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000246949601 141046098 /nfs/dbraw/zinc/04/60/98/141046098.db2.gz IHHQHJVGZOOIEB-WMLDXEAASA-N 2 1 337.895 3.379 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000337842956 141065661 /nfs/dbraw/zinc/06/56/61/141065661.db2.gz GZXFAFRMALKUJY-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000337842956 141065663 /nfs/dbraw/zinc/06/56/63/141065663.db2.gz GZXFAFRMALKUJY-LJQANCHMSA-N 2 1 339.483 3.482 20 0 EGADMP CO[C@H]1C[C@H](C[NH+]2CCCC2)N(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000347890723 141210995 /nfs/dbraw/zinc/21/09/95/141210995.db2.gz ASMWUZJCEBFGGG-CVEARBPZSA-N 2 1 329.419 3.063 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H](C[NH+](CC)CC)C1)[N@@H+](C)Cc1ccccc1 ZINC000354572476 141308418 /nfs/dbraw/zinc/30/84/18/141308418.db2.gz IDYAWSCWTCSIHV-UXHICEINSA-N 2 1 345.531 3.087 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)CC[N@H+]1C ZINC000344686439 144210106 /nfs/dbraw/zinc/21/01/06/144210106.db2.gz RRHNEGWHFVEPJI-AEFFLSMTSA-N 2 1 325.456 3.233 20 0 EGADMP Cc1c2ccccc2oc1[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000351583655 144283528 /nfs/dbraw/zinc/28/35/28/144283528.db2.gz UUPKWYUORYITBS-VQIMIIECSA-N 2 1 330.472 3.483 20 0 EGADMP Cc1c2ccccc2oc1[C@H]([NH2+]C[C@@H](O)CN(C)C1CC1)C(C)C ZINC000351583655 144283529 /nfs/dbraw/zinc/28/35/29/144283529.db2.gz UUPKWYUORYITBS-VQIMIIECSA-N 2 1 330.472 3.483 20 0 EGADMP CC1CCN(CC[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000357068562 144327087 /nfs/dbraw/zinc/32/70/87/144327087.db2.gz OFSBANAQRSYEID-UHFFFAOYSA-N 2 1 344.547 3.352 20 0 EGADMP CC1CC[NH+](CCN(C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000357068562 144327089 /nfs/dbraw/zinc/32/70/89/144327089.db2.gz OFSBANAQRSYEID-UHFFFAOYSA-N 2 1 344.547 3.352 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccnc(C[NH3+])c2)c1 ZINC000361609340 144337163 /nfs/dbraw/zinc/33/71/63/144337163.db2.gz ISFMDMGXKOFZGS-UHFFFAOYSA-N 2 1 349.438 3.161 20 0 EGADMP COc1ccc2oc(C[NH+]3CCN(c4cc(C)ccn4)CC3)cc2c1 ZINC000120925942 152311494 /nfs/dbraw/zinc/31/14/94/152311494.db2.gz VAEPCIHEFVKTKP-UHFFFAOYSA-N 2 1 337.423 3.467 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(-n2cc(Cl)cn2)n1 ZINC000191536154 153204256 /nfs/dbraw/zinc/20/42/56/153204256.db2.gz LYJMBJNPKUIANW-RVSPLBMKSA-N 2 1 347.894 3.047 20 0 EGADMP Cc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+]2CCCC2)cc1 ZINC000192782223 153260909 /nfs/dbraw/zinc/26/09/09/153260909.db2.gz RYFPRUDEXXHCEL-OTYNDTSQSA-N 2 1 327.516 3.347 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]Cc3cccc4c3OCCO4)C2)cc1 ZINC000192934171 153268685 /nfs/dbraw/zinc/26/86/85/153268685.db2.gz AKEWSRVJHZAUET-SFHVURJKSA-N 2 1 338.451 3.070 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3cccc4c3OCCO4)C2)cc1 ZINC000192934171 153268687 /nfs/dbraw/zinc/26/86/87/153268687.db2.gz AKEWSRVJHZAUET-SFHVURJKSA-N 2 1 338.451 3.070 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cn1 ZINC000305803660 154130604 /nfs/dbraw/zinc/13/06/04/154130604.db2.gz FOYZIARBIYWHAP-UFYCRDLUSA-N 2 1 349.494 3.275 20 0 EGADMP c1nn2ccccc2c1C[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000311798654 154149186 /nfs/dbraw/zinc/14/91/86/154149186.db2.gz KDCRMETWAXFZRJ-JBACZVJFSA-N 2 1 346.478 3.335 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)COC(C)C)CC2)cs1 ZINC000337347434 154297726 /nfs/dbraw/zinc/29/77/26/154297726.db2.gz XPSGIBAIJDTQTQ-HNNXBMFYSA-N 2 1 339.549 3.321 20 0 EGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C1CCN(CCO)CC1 ZINC000337499142 154383512 /nfs/dbraw/zinc/38/35/12/154383512.db2.gz KPRHEYKXSYONMU-ZDUSSCGKSA-N 2 1 330.394 3.155 20 0 EGADMP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc(Cl)c1OC ZINC000346818583 156150690 /nfs/dbraw/zinc/15/06/90/156150690.db2.gz GVQFNKOQDYJGMX-OFQRWUPVSA-N 2 1 338.879 3.307 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc(Cl)c1OC ZINC000346818583 156150696 /nfs/dbraw/zinc/15/06/96/156150696.db2.gz GVQFNKOQDYJGMX-OFQRWUPVSA-N 2 1 338.879 3.307 20 0 EGADMP CCCOc1c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cccc1OCC ZINC000346830145 156155337 /nfs/dbraw/zinc/15/53/37/156155337.db2.gz KABFHGJLLNJBGR-RYQLBKOJSA-N 2 1 332.488 3.433 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C[C@@H]21 ZINC000346845186 156160784 /nfs/dbraw/zinc/16/07/84/156160784.db2.gz ZSXDEFACSRYTKP-JCGIZDLHSA-N 2 1 330.863 3.085 20 0 EGADMP CSc1cc(Br)ccc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000347002750 156240256 /nfs/dbraw/zinc/24/02/56/156240256.db2.gz JTBNPMDWQDOJFR-UHFFFAOYSA-N 2 1 329.307 3.355 20 0 EGADMP CSc1cc(Br)ccc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000347002750 156240259 /nfs/dbraw/zinc/24/02/59/156240259.db2.gz JTBNPMDWQDOJFR-UHFFFAOYSA-N 2 1 329.307 3.355 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ncc(C(C)C)s1 ZINC000349039439 156327986 /nfs/dbraw/zinc/32/79/86/156327986.db2.gz XLDWZLHRTNPGEL-MRXNPFEDSA-N 2 1 338.565 3.114 20 0 EGADMP Cc1ccc2[nH]c(C[N@H+](C)CCN(C)C3CC[NH+](C)CC3)cc2c1C ZINC000349060053 156337725 /nfs/dbraw/zinc/33/77/25/156337725.db2.gz DXZCSBRQYMQVFJ-UHFFFAOYSA-N 2 1 342.531 3.243 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000349079654 156345220 /nfs/dbraw/zinc/34/52/20/156345220.db2.gz JNIJFWNPFHJZTG-IBGZPJMESA-N 2 1 331.504 3.019 20 0 EGADMP COc1cc2c(c(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c1)O[C@@H](C)C2 ZINC000349131019 156363160 /nfs/dbraw/zinc/36/31/60/156363160.db2.gz PDJCVHDARDTVKV-DOTOQJQBSA-N 2 1 344.499 3.182 20 0 EGADMP C[NH+](C)CC1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000093938921 162033922 /nfs/dbraw/zinc/03/39/22/162033922.db2.gz RWAYEAXLYMDXGP-UHFFFAOYSA-N 2 1 329.257 3.362 20 0 EGADMP CCC[NH+]1CCC([N@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000111240552 162148549 /nfs/dbraw/zinc/14/85/49/162148549.db2.gz UYPMMQPITZGFPB-UHFFFAOYSA-N 2 1 338.879 3.417 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000111240552 162148551 /nfs/dbraw/zinc/14/85/51/162148551.db2.gz UYPMMQPITZGFPB-UHFFFAOYSA-N 2 1 338.879 3.417 20 0 EGADMP Cc1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)ccn1 ZINC000112298507 162170774 /nfs/dbraw/zinc/17/07/74/162170774.db2.gz XIHOFTSOHFYFEI-INIZCTEOSA-N 2 1 327.403 3.380 20 0 EGADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)c2)CC1 ZINC000126456360 162304110 /nfs/dbraw/zinc/30/41/10/162304110.db2.gz UVVZMUNLVPBZJC-GHTZIAJQSA-N 3 1 329.532 3.348 20 0 EGADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCN(C)C[C@@H]3C)c2)CC1 ZINC000126456360 162304112 /nfs/dbraw/zinc/30/41/12/162304112.db2.gz UVVZMUNLVPBZJC-GHTZIAJQSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)c(F)c1 ZINC000248445489 163005696 /nfs/dbraw/zinc/00/56/96/163005696.db2.gz MNRYUNJLXBFQHX-KBXCAEBGSA-N 2 1 346.421 3.382 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000249089726 163055966 /nfs/dbraw/zinc/05/59/66/163055966.db2.gz KDENHHGLPDEEFY-MXEMCNAFSA-N 2 1 340.511 3.446 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000354310459 166001465 /nfs/dbraw/zinc/00/14/65/166001465.db2.gz COCPIMDCQZICPY-UHFFFAOYSA-N 2 1 331.504 3.134 20 0 EGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000337273865 163190234 /nfs/dbraw/zinc/19/02/34/163190234.db2.gz PHZOUHZYIBAIAR-HXUWFJFHSA-N 2 1 332.488 3.162 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000337273865 163190237 /nfs/dbraw/zinc/19/02/37/163190237.db2.gz PHZOUHZYIBAIAR-HXUWFJFHSA-N 2 1 332.488 3.162 20 0 EGADMP CC(C)c1ccc([C@@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000338287860 163208137 /nfs/dbraw/zinc/20/81/37/163208137.db2.gz UVNFXOTYTNBCFK-FQEVSTJZSA-N 2 1 343.515 3.111 20 0 EGADMP CC(C)c1ccc([C@@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000338287860 163208140 /nfs/dbraw/zinc/20/81/40/163208140.db2.gz UVNFXOTYTNBCFK-FQEVSTJZSA-N 2 1 343.515 3.111 20 0 EGADMP CC(C)OCC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338327948 163211199 /nfs/dbraw/zinc/21/11/99/163211199.db2.gz PREYJYZKUKKYQK-WOJBJXKFSA-N 2 1 348.531 3.053 20 0 EGADMP CC(C)OCC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338327948 163211201 /nfs/dbraw/zinc/21/12/01/163211201.db2.gz PREYJYZKUKKYQK-WOJBJXKFSA-N 2 1 348.531 3.053 20 0 EGADMP CCc1nocc1C[N@@H+](C)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000354355387 166008343 /nfs/dbraw/zinc/00/83/43/166008343.db2.gz HYVQRAPJWFJQJA-UHFFFAOYSA-N 2 1 342.487 3.011 20 0 EGADMP CCc1nocc1C[N@H+](C)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000354355387 166008345 /nfs/dbraw/zinc/00/83/45/166008345.db2.gz HYVQRAPJWFJQJA-UHFFFAOYSA-N 2 1 342.487 3.011 20 0 EGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000354371548 166010987 /nfs/dbraw/zinc/01/09/87/166010987.db2.gz ILOMXJQCGNFMRP-HXUWFJFHSA-N 2 1 343.515 3.277 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2[C@H](C)C[NH+](CC)C[C@@H]2C)cc1 ZINC000344421149 164175197 /nfs/dbraw/zinc/17/51/97/164175197.db2.gz HANIZBVCCOSARV-HDICACEKSA-N 2 1 345.531 3.473 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2[C@H](C)C[N@@H+](CC)C[C@@H]2C)cc1 ZINC000344421149 164175199 /nfs/dbraw/zinc/17/51/99/164175199.db2.gz HANIZBVCCOSARV-HDICACEKSA-N 2 1 345.531 3.473 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2[C@H](C)C[N@H+](CC)C[C@@H]2C)cc1 ZINC000344421149 164175201 /nfs/dbraw/zinc/17/52/01/164175201.db2.gz HANIZBVCCOSARV-HDICACEKSA-N 2 1 345.531 3.473 20 0 EGADMP C[C@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC000345808750 164269840 /nfs/dbraw/zinc/26/98/40/164269840.db2.gz CCQSCYVGVTVQOF-CEXWTWQISA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)cc1)C1CC1 ZINC000345891874 164288165 /nfs/dbraw/zinc/28/81/65/164288165.db2.gz SUIOCBKLZGNMNK-UXHICEINSA-N 2 1 341.499 3.028 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1)C1CC1 ZINC000345891874 164288167 /nfs/dbraw/zinc/28/81/67/164288167.db2.gz SUIOCBKLZGNMNK-UXHICEINSA-N 2 1 341.499 3.028 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1)C1CC1 ZINC000345891874 164288168 /nfs/dbraw/zinc/28/81/68/164288168.db2.gz SUIOCBKLZGNMNK-UXHICEINSA-N 2 1 341.499 3.028 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH+](CC)C[C@@H]2C)cc1)C1CC1 ZINC000345965837 164305462 /nfs/dbraw/zinc/30/54/62/164305462.db2.gz RLEJTEVKROLMNW-SJORKVTESA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)cc1)C1CC1 ZINC000345965837 164305465 /nfs/dbraw/zinc/30/54/65/164305465.db2.gz RLEJTEVKROLMNW-SJORKVTESA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)cc1)C1CC1 ZINC000345965837 164305466 /nfs/dbraw/zinc/30/54/66/164305466.db2.gz RLEJTEVKROLMNW-SJORKVTESA-N 2 1 343.515 3.226 20 0 EGADMP COc1cccc(C[N@H+](CCn2cc[nH+]c2C)C2CCC(O)CC2)c1 ZINC000346312206 164367387 /nfs/dbraw/zinc/36/73/87/164367387.db2.gz OSCGMMKOSHOHDN-UHFFFAOYSA-N 2 1 343.471 3.006 20 0 EGADMP COc1cccc(C[N@@H+](CCn2cc[nH+]c2C)C2CCC(O)CC2)c1 ZINC000346312206 164367389 /nfs/dbraw/zinc/36/73/89/164367389.db2.gz OSCGMMKOSHOHDN-UHFFFAOYSA-N 2 1 343.471 3.006 20 0 EGADMP C[N@H+](Cc1cnc2ccccn12)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354878899 166054278 /nfs/dbraw/zinc/05/42/78/166054278.db2.gz PZROUMWRELCNQU-UHFFFAOYSA-N 2 1 335.455 3.078 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000350181537 165016207 /nfs/dbraw/zinc/01/62/07/165016207.db2.gz PNWCKZOCRUQTNR-OAHLLOKOSA-N 2 1 349.500 3.336 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000350181537 165016211 /nfs/dbraw/zinc/01/62/11/165016211.db2.gz PNWCKZOCRUQTNR-OAHLLOKOSA-N 2 1 349.500 3.336 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2F)C1 ZINC000350319809 165029647 /nfs/dbraw/zinc/02/96/47/165029647.db2.gz FWIZGHVJMJLVIE-GDBMZVCRSA-N 2 1 326.431 3.459 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2F)C1 ZINC000350319809 165029649 /nfs/dbraw/zinc/02/96/49/165029649.db2.gz FWIZGHVJMJLVIE-GDBMZVCRSA-N 2 1 326.431 3.459 20 0 EGADMP C[N@H+](C[C@H](O)C[NH+]1CCC(C)(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000352365024 165365663 /nfs/dbraw/zinc/36/56/63/165365663.db2.gz LXTYHQUCBFICPI-SFHVURJKSA-N 2 1 336.907 3.149 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH+]1CCC(C)(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000352365024 165365665 /nfs/dbraw/zinc/36/56/65/165365665.db2.gz LXTYHQUCBFICPI-SFHVURJKSA-N 2 1 336.907 3.149 20 0 EGADMP C[N@H+]1CCN(CCC[NH2+]C[C@H]2CC=CCC2)[C@@H](c2ccccc2)C1 ZINC000359080016 167062107 /nfs/dbraw/zinc/06/21/07/167062107.db2.gz DCUDWHJAQIBFRZ-PZJWPPBQSA-N 2 1 327.516 3.311 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000359118974 167072209 /nfs/dbraw/zinc/07/22/09/167072209.db2.gz WKJAXTQKMBPLNY-SBHAEUEKSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1CCC[NH+](CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000359118974 167072210 /nfs/dbraw/zinc/07/22/10/167072210.db2.gz WKJAXTQKMBPLNY-SBHAEUEKSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1CCC[NH+](CCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000359118974 167072211 /nfs/dbraw/zinc/07/22/11/167072211.db2.gz WKJAXTQKMBPLNY-SBHAEUEKSA-N 2 1 329.532 3.361 20 0 EGADMP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000359228184 167101593 /nfs/dbraw/zinc/10/15/93/167101593.db2.gz HCPULVPBIDMBKB-UZLBHIALSA-N 2 1 339.483 3.061 20 0 EGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[NH+](C)C ZINC000359474238 167166647 /nfs/dbraw/zinc/16/66/47/167166647.db2.gz RQERUNPQNFQPIQ-SCTDSRPQSA-N 2 1 348.535 3.014 20 0 EGADMP C[N@@H+](CCC[NH2+]C1CCN(Cc2ccccn2)CC1)C1CCCCC1 ZINC000359665086 167205989 /nfs/dbraw/zinc/20/59/89/167205989.db2.gz QYSWJNIUSGPSKW-UHFFFAOYSA-N 2 1 344.547 3.290 20 0 EGADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccsc2Cl)C1 ZINC000359673518 167207679 /nfs/dbraw/zinc/20/76/79/167207679.db2.gz NVBZPARADGHIPC-INIZCTEOSA-N 2 1 336.888 3.258 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccsc2Cl)C1 ZINC000359673518 167207681 /nfs/dbraw/zinc/20/76/81/167207681.db2.gz NVBZPARADGHIPC-INIZCTEOSA-N 2 1 336.888 3.258 20 0 EGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000366434103 168121387 /nfs/dbraw/zinc/12/13/87/168121387.db2.gz PJZVJUABHQAFSS-HTWSVDAQSA-N 2 1 330.472 3.298 20 0 EGADMP COCCOCc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000367355739 168212955 /nfs/dbraw/zinc/21/29/55/168212955.db2.gz FZBOMJPWVVFPSM-UHFFFAOYSA-N 2 1 346.515 3.157 20 0 EGADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnn3ccccc23)CC1 ZINC000367621192 168251200 /nfs/dbraw/zinc/25/12/00/168251200.db2.gz DTTDBPBLABMYMP-LPHOPBHVSA-N 2 1 326.488 3.467 20 0 EGADMP C[N@H+]1CC[C@@]2(CCN(Cc3nc4cc(C(F)(F)F)ccc4o3)C2)C1 ZINC000367850022 168277495 /nfs/dbraw/zinc/27/74/95/168277495.db2.gz OKJJNOAFUICCGK-MRXNPFEDSA-N 2 1 339.361 3.374 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000237344200 287276515 /nfs/dbraw/zinc/27/65/15/287276515.db2.gz CQTPZOCTCNVBSI-DYESRHJHSA-N 2 1 343.515 3.209 20 0 EGADMP C[C@@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)C[NH+]1CCCC1 ZINC000165289031 226118800 /nfs/dbraw/zinc/11/88/00/226118800.db2.gz ODBOKYDTFDHAFO-ROUUACIJSA-N 2 1 333.520 3.010 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000122051157 222004210 /nfs/dbraw/zinc/00/42/10/222004210.db2.gz LHHDHWLOZWKZFN-OAQYLSRUSA-N 2 1 348.531 3.099 20 0 EGADMP C[N@H+](CC(=O)NC1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000177231540 265241067 /nfs/dbraw/zinc/24/10/67/265241067.db2.gz RSRAENAXSQDEPT-UHFFFAOYSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000177231540 265241073 /nfs/dbraw/zinc/24/10/73/265241073.db2.gz RSRAENAXSQDEPT-UHFFFAOYSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177299120 265245762 /nfs/dbraw/zinc/24/57/62/265245762.db2.gz VYWNJVUVFDTGAY-MRXNPFEDSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177299135 265246181 /nfs/dbraw/zinc/24/61/81/265246181.db2.gz VYWNJVUVFDTGAY-INIZCTEOSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000195302778 266174825 /nfs/dbraw/zinc/17/48/25/266174825.db2.gz CFYLJCCJTRZKPG-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000195302778 266174830 /nfs/dbraw/zinc/17/48/30/266174830.db2.gz CFYLJCCJTRZKPG-IEBWSBKVSA-N 2 1 331.504 3.060 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[N@H+]1C ZINC000230975521 266206341 /nfs/dbraw/zinc/20/63/41/266206341.db2.gz ZLTUMOJZTDZEFX-CABCVRRESA-N 2 1 327.513 3.094 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1)C(C)C ZINC000236992726 266221859 /nfs/dbraw/zinc/22/18/59/266221859.db2.gz VSRGPPHWPIKESM-APWZRJJASA-N 2 1 331.504 3.116 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273258281 267007894 /nfs/dbraw/zinc/00/78/94/267007894.db2.gz SRYJJGNHCZLOGN-HKUYNNGSSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@H]([NH2+]Cc1cccc2nsnc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273302694 267017111 /nfs/dbraw/zinc/01/71/11/267017111.db2.gz RPIAWQLRAPMZDJ-ZFWWWQNUSA-N 2 1 330.501 3.434 20 0 EGADMP CC(C)N(C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000274852220 267297733 /nfs/dbraw/zinc/29/77/33/267297733.db2.gz RJLVWLIREBLVDP-QUCCMNQESA-N 2 1 345.531 3.132 20 0 EGADMP CC(C)N(C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000274852220 267297735 /nfs/dbraw/zinc/29/77/35/267297735.db2.gz RJLVWLIREBLVDP-QUCCMNQESA-N 2 1 345.531 3.132 20 0 EGADMP Brc1c[nH+]ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000274887553 267302040 /nfs/dbraw/zinc/30/20/40/267302040.db2.gz IWEBFOOIPJRNCC-SWLSCSKDSA-N 2 1 336.277 3.297 20 0 EGADMP Brc1c[nH+]ccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000274887553 267302041 /nfs/dbraw/zinc/30/20/41/267302041.db2.gz IWEBFOOIPJRNCC-SWLSCSKDSA-N 2 1 336.277 3.297 20 0 EGADMP C[C@H]([NH2+]CCc1cn2ccccc2n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274950311 267310448 /nfs/dbraw/zinc/31/04/48/267310448.db2.gz UZVBCWPXAFYZSD-ICSRJNTNSA-N 3 1 348.494 3.377 20 0 EGADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275556009 267380581 /nfs/dbraw/zinc/38/05/81/267380581.db2.gz NQFSZVUTDVTPDY-HZPDHXFCSA-N 2 1 340.471 3.015 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)s1 ZINC000352765615 273803090 /nfs/dbraw/zinc/80/30/90/273803090.db2.gz PXNGBQSMFBFXMA-LPHOPBHVSA-N 2 1 345.512 3.462 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000265027232 274285683 /nfs/dbraw/zinc/28/56/83/274285683.db2.gz HVUQKOYTSFQFJK-MBOZVWFJSA-N 2 1 334.479 3.446 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000265027232 274285684 /nfs/dbraw/zinc/28/56/84/274285684.db2.gz HVUQKOYTSFQFJK-MBOZVWFJSA-N 2 1 334.479 3.446 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000265027232 274285685 /nfs/dbraw/zinc/28/56/85/274285685.db2.gz HVUQKOYTSFQFJK-MBOZVWFJSA-N 2 1 334.479 3.446 20 0 EGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000265027232 274285686 /nfs/dbraw/zinc/28/56/86/274285686.db2.gz HVUQKOYTSFQFJK-MBOZVWFJSA-N 2 1 334.479 3.446 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192047982 275223011 /nfs/dbraw/zinc/22/30/11/275223011.db2.gz VVBBIPRMMFUJIZ-GOSISDBHSA-N 2 1 326.488 3.344 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(C)o1 ZINC000278624091 275260187 /nfs/dbraw/zinc/26/01/87/275260187.db2.gz GLGRCDOBEWJLCQ-BEFAXECRSA-N 2 1 328.456 3.314 20 0 EGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000278695452 275266386 /nfs/dbraw/zinc/26/63/86/275266386.db2.gz PLUBIHLETQBTGH-IXDOHACOSA-N 2 1 345.487 3.021 20 0 EGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000278695452 275266388 /nfs/dbraw/zinc/26/63/88/275266388.db2.gz PLUBIHLETQBTGH-IXDOHACOSA-N 2 1 345.487 3.021 20 0 EGADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCSc3ccc(F)cc32)CCCO1 ZINC000278778131 275273837 /nfs/dbraw/zinc/27/38/37/275273837.db2.gz YDPHJRKPAAHAHY-YOEHRIQHSA-N 2 1 338.492 3.453 20 0 EGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCSc3ccc(F)cc32)CCCO1 ZINC000278778131 275273839 /nfs/dbraw/zinc/27/38/39/275273839.db2.gz YDPHJRKPAAHAHY-YOEHRIQHSA-N 2 1 338.492 3.453 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1nccs1 ZINC000284198303 275781502 /nfs/dbraw/zinc/78/15/02/275781502.db2.gz BNCQRVPILQGUFC-AWEZNQCLSA-N 2 1 331.485 3.467 20 0 EGADMP CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000289363487 276328042 /nfs/dbraw/zinc/32/80/42/276328042.db2.gz HOZCUBHKVWEEOL-NRFANRHFSA-N 2 1 347.547 3.494 20 0 EGADMP COc1cncc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000289784698 276394138 /nfs/dbraw/zinc/39/41/38/276394138.db2.gz JGIKYJXXCFCKGS-LFUKPOHLSA-N 2 1 339.483 3.336 20 0 EGADMP COc1cncc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000289784698 276394140 /nfs/dbraw/zinc/39/41/40/276394140.db2.gz JGIKYJXXCFCKGS-LFUKPOHLSA-N 2 1 339.483 3.336 20 0 EGADMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(Cl)nc1 ZINC000290525812 276506800 /nfs/dbraw/zinc/50/68/00/276506800.db2.gz ZESIBRDISUIKOZ-CQSZACIVSA-N 2 1 348.878 3.311 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCc1ccccc1C[NH+](C)C)c1ccccc1 ZINC000171475531 279043357 /nfs/dbraw/zinc/04/33/57/279043357.db2.gz UZHCQGBFEKSLPA-HXUWFJFHSA-N 2 1 339.483 3.057 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)NC[C@@H](C)[NH+]1CCCC[C@H]1C)c1ccccc1 ZINC000343870293 279044955 /nfs/dbraw/zinc/04/49/55/279044955.db2.gz SOGHQSDMVRXRAB-LMMKCTJWSA-N 2 1 331.504 3.059 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](C)[NH+]1CCCC[C@H]1C)c1ccccc1 ZINC000343870293 279044958 /nfs/dbraw/zinc/04/49/58/279044958.db2.gz SOGHQSDMVRXRAB-LMMKCTJWSA-N 2 1 331.504 3.059 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000343870293 279044959 /nfs/dbraw/zinc/04/49/59/279044959.db2.gz SOGHQSDMVRXRAB-LMMKCTJWSA-N 2 1 331.504 3.059 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000343870293 279044962 /nfs/dbraw/zinc/04/49/62/279044962.db2.gz SOGHQSDMVRXRAB-LMMKCTJWSA-N 2 1 331.504 3.059 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCC3(CCOCC3)CC2)C[C@H](C)O1 ZINC000358049938 288159426 /nfs/dbraw/zinc/15/94/26/288159426.db2.gz SIHKLCCGCHDZAD-HDICACEKSA-N 2 1 338.536 3.205 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)c(C)c1 ZINC000358504074 280393516 /nfs/dbraw/zinc/39/35/16/280393516.db2.gz GLOHXCADIOQZNR-KRWDZBQOSA-N 2 1 329.488 3.014 20 0 EGADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000153170810 295101680 /nfs/dbraw/zinc/10/16/80/295101680.db2.gz AJLTVIARIJYCPH-BFYDXBDKSA-N 2 1 334.504 3.300 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)cn1 ZINC000414059192 309058232 /nfs/dbraw/zinc/05/82/32/309058232.db2.gz ILQIUXKSDHFXKD-KRWDZBQOSA-N 2 1 327.472 3.133 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000414112292 309061524 /nfs/dbraw/zinc/06/15/24/309061524.db2.gz XTAPXSDSBMNUCB-LNLFQRSKSA-N 2 1 326.488 3.371 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000414114176 309061720 /nfs/dbraw/zinc/06/17/20/309061720.db2.gz STQMPPRJAWECMY-XYJFISCASA-N 2 1 331.504 3.264 20 0 EGADMP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)nnn1-c1ccc(F)cc1 ZINC000414168347 309064361 /nfs/dbraw/zinc/06/43/61/309064361.db2.gz ABXOLRRHJOXZKK-HOCLYGCPSA-N 2 1 345.466 3.097 20 0 EGADMP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000414173803 309064705 /nfs/dbraw/zinc/06/47/05/309064705.db2.gz GDXVKLNHNCWGDA-UYAOXDASSA-N 2 1 341.503 3.039 20 0 EGADMP COC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1F ZINC000414193308 309066038 /nfs/dbraw/zinc/06/60/38/309066038.db2.gz TVEJSMVKTOWETC-CJNGLKHVSA-N 2 1 328.859 3.488 20 0 EGADMP COC1([C@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCC1 ZINC000414312012 309072168 /nfs/dbraw/zinc/07/21/68/309072168.db2.gz IZHPQTAAIVQGRE-INIZCTEOSA-N 2 1 334.479 3.380 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000414317283 309072549 /nfs/dbraw/zinc/07/25/49/309072549.db2.gz VROJVQKBBGXIEM-ZWKOTPCHSA-N 2 1 328.435 3.036 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000414317283 309072550 /nfs/dbraw/zinc/07/25/50/309072550.db2.gz VROJVQKBBGXIEM-ZWKOTPCHSA-N 2 1 328.435 3.036 20 0 EGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000248418307 308002712 /nfs/dbraw/zinc/00/27/12/308002712.db2.gz KFQBOZBXTKTGSE-CABCVRRESA-N 2 1 329.488 3.354 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000248418307 308002714 /nfs/dbraw/zinc/00/27/14/308002714.db2.gz KFQBOZBXTKTGSE-CABCVRRESA-N 2 1 329.488 3.354 20 0 EGADMP OCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCCC1 ZINC000248621771 308007715 /nfs/dbraw/zinc/00/77/15/308007715.db2.gz ASBCBBHCTYRZLF-HSALFYBXSA-N 2 1 328.500 3.039 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000249391537 308023116 /nfs/dbraw/zinc/02/31/16/308023116.db2.gz ACDUKMCFUIIPOU-HNAYVOBHSA-N 2 1 340.458 3.234 20 0 EGADMP Cc1ccc2c(CN3CC[C@@]4(C3)CCC[N@H+](C)C4)cc(=O)oc2c1 ZINC000292866539 308074151 /nfs/dbraw/zinc/07/41/51/308074151.db2.gz CVSTVENFGXCCJR-FQEVSTJZSA-N 2 1 326.440 3.019 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)cc(=O)oc2c1 ZINC000292866539 308074153 /nfs/dbraw/zinc/07/41/53/308074153.db2.gz CVSTVENFGXCCJR-FQEVSTJZSA-N 2 1 326.440 3.019 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)cc(=O)oc2c1 ZINC000292866539 308074155 /nfs/dbraw/zinc/07/41/55/308074155.db2.gz CVSTVENFGXCCJR-FQEVSTJZSA-N 2 1 326.440 3.019 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)cc(=O)oc2c1 ZINC000292866539 308074157 /nfs/dbraw/zinc/07/41/57/308074157.db2.gz CVSTVENFGXCCJR-FQEVSTJZSA-N 2 1 326.440 3.019 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)cc(=O)oc2c1 ZINC000292866539 308074159 /nfs/dbraw/zinc/07/41/59/308074159.db2.gz CVSTVENFGXCCJR-FQEVSTJZSA-N 2 1 326.440 3.019 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000293101734 308099553 /nfs/dbraw/zinc/09/95/53/308099553.db2.gz WMHKBZTVGFESIV-UHFFFAOYSA-N 2 1 336.430 3.278 20 0 EGADMP Cc1cc2oc(=O)cc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)c2cc1C ZINC000293127407 308101899 /nfs/dbraw/zinc/10/18/99/308101899.db2.gz ZNDOMZIACNSXLS-OAQYLSRUSA-N 2 1 340.467 3.328 20 0 EGADMP Cc1cc2oc(=O)cc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)c2cc1C ZINC000293127407 308101900 /nfs/dbraw/zinc/10/19/00/308101900.db2.gz ZNDOMZIACNSXLS-OAQYLSRUSA-N 2 1 340.467 3.328 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)c2cc1C ZINC000293127407 308101901 /nfs/dbraw/zinc/10/19/01/308101901.db2.gz ZNDOMZIACNSXLS-OAQYLSRUSA-N 2 1 340.467 3.328 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)c2cc1C ZINC000293127407 308101902 /nfs/dbraw/zinc/10/19/02/308101902.db2.gz ZNDOMZIACNSXLS-OAQYLSRUSA-N 2 1 340.467 3.328 20 0 EGADMP C[N@H+]1CCC[C@@]2(CCN(Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000293550229 308140700 /nfs/dbraw/zinc/14/07/00/308140700.db2.gz DYIJCFJPGIPWCP-QGZVFWFLSA-N 2 1 328.378 3.345 20 0 EGADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(C(=O)OC)cc1 ZINC000293767196 308160032 /nfs/dbraw/zinc/16/00/32/308160032.db2.gz PIPMHAOOWKFSMF-KBXCAEBGSA-N 2 1 329.444 3.355 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCCOC2=O)cc1 ZINC000293903376 308172385 /nfs/dbraw/zinc/17/23/85/308172385.db2.gz WOEMDOQCKXCCKP-IPELMVKDSA-N 2 1 343.471 3.311 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N2CCCOC2=O)cc1 ZINC000293903376 308172386 /nfs/dbraw/zinc/17/23/86/308172386.db2.gz WOEMDOQCKXCCKP-IPELMVKDSA-N 2 1 343.471 3.311 20 0 EGADMP Cc1ncsc1CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000294692784 308246560 /nfs/dbraw/zinc/24/65/60/308246560.db2.gz ATNDFHMJIAJYPZ-IPMKNSEASA-N 2 1 341.524 3.494 20 0 EGADMP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000294713302 308248939 /nfs/dbraw/zinc/24/89/39/308248939.db2.gz HKDQKSCIVDEQPM-WMZOPIPTSA-N 2 1 343.496 3.010 20 0 EGADMP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000294736510 308251524 /nfs/dbraw/zinc/25/15/24/308251524.db2.gz GTKAUTCDUKHXJJ-QFIPXVFZSA-N 2 1 338.495 3.498 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1OC ZINC000294910162 308270496 /nfs/dbraw/zinc/27/04/96/308270496.db2.gz DXEAUIQHBLPAJJ-TZUVLKIQSA-N 2 1 332.488 3.158 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H](C)[NH2+]C2CC2)c1 ZINC000294927577 308272529 /nfs/dbraw/zinc/27/25/29/308272529.db2.gz AZWGZDDRQIDQAV-INIZCTEOSA-N 2 1 331.504 3.065 20 0 EGADMP COc1nccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)n1 ZINC000294966690 308277063 /nfs/dbraw/zinc/27/70/63/308277063.db2.gz GETITIQNZNJNFN-UHFFFAOYSA-N 2 1 340.471 3.151 20 0 EGADMP CCOC(=O)c1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)[nH]c1C ZINC000295563135 308338884 /nfs/dbraw/zinc/33/88/84/308338884.db2.gz ZFWTYVIANVLVGP-ZBFHGGJFSA-N 2 1 347.503 3.242 20 0 EGADMP CC[NH2+]CCNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414715515 309097033 /nfs/dbraw/zinc/09/70/33/309097033.db2.gz QXWIAPDURVXWJF-UHFFFAOYSA-N 2 1 332.492 3.182 20 0 EGADMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)c(SC)cc1OC ZINC000414715981 309097044 /nfs/dbraw/zinc/09/70/44/309097044.db2.gz WJJJDCUYAUDFBR-ZIAGYGMSSA-N 2 1 338.517 3.246 20 0 EGADMP CCCCCOc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000414663167 309094322 /nfs/dbraw/zinc/09/43/22/309094322.db2.gz AXIFJHMOFCZWLX-RCCFBDPRSA-N 2 1 332.488 3.433 20 0 EGADMP Cc1cc(Br)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000414663919 309094465 /nfs/dbraw/zinc/09/44/65/309094465.db2.gz BTQRVJRPJWYHLY-GVXVVHGQSA-N 2 1 329.307 3.378 20 0 EGADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000414742269 309098364 /nfs/dbraw/zinc/09/83/64/309098364.db2.gz FYKPVOSCVDQNGE-AAEUAGOBSA-N 2 1 329.257 3.408 20 0 EGADMP COc1cccc(C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C2CCC(O)CC2)c1 ZINC000414746081 309098626 /nfs/dbraw/zinc/09/86/26/309098626.db2.gz LPLXTHIJIOWLKJ-YUKKFIBKSA-N 2 1 346.515 3.189 20 0 EGADMP COc1ccc(C[N@@H+](CC2CC2)C[C@H]2CC[NH2+][C@H](C)C2)c(OC)c1 ZINC000414758621 309099167 /nfs/dbraw/zinc/09/91/67/309099167.db2.gz VCTXFKUWHONGKP-WBVHZDCISA-N 2 1 332.488 3.304 20 0 EGADMP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1noc(-c2ccccc2)n1 ZINC000297806218 308564839 /nfs/dbraw/zinc/56/48/39/308564839.db2.gz XVWZAOHBAWDXGL-HNNXBMFYSA-N 2 1 349.438 3.451 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(-c2cnn(C)c2)c1 ZINC000414777921 309100450 /nfs/dbraw/zinc/10/04/50/309100450.db2.gz IPRLGKWZGCQIEI-ROUUACIJSA-N 2 1 338.499 3.217 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC(F)F ZINC000414778972 309100539 /nfs/dbraw/zinc/10/05/39/309100539.db2.gz JVGQGQLSELDEMT-GJZGRUSLSA-N 2 1 340.414 3.118 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1OC(C)C ZINC000414789775 309101474 /nfs/dbraw/zinc/10/14/74/309101474.db2.gz YYSGDDOBGXOBEO-IAGOWNOFSA-N 2 1 332.488 3.304 20 0 EGADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000414830447 309104205 /nfs/dbraw/zinc/10/42/05/309104205.db2.gz OAFXTWIPQYGMRD-XNTOXWQXSA-N 2 1 328.500 3.426 20 0 EGADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000414832679 309104449 /nfs/dbraw/zinc/10/44/49/309104449.db2.gz FONASCOHVATAGY-AWEZNQCLSA-N 2 1 333.863 3.259 20 0 EGADMP COc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1OCc1ccccc1 ZINC000414884540 309107172 /nfs/dbraw/zinc/10/71/72/309107172.db2.gz FLRKNKFACVSVIQ-SFHVURJKSA-N 2 1 326.440 3.101 20 0 EGADMP C[NH2+]C[C@@H](C)CNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000414912628 309108914 /nfs/dbraw/zinc/10/89/14/309108914.db2.gz VLQMNCBQHIEVEU-OAHLLOKOSA-N 2 1 343.475 3.032 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CC[NH2+]1 ZINC000414944599 309110602 /nfs/dbraw/zinc/11/06/02/309110602.db2.gz HCPDMSLQISOYIE-CABZTGNLSA-N 2 1 349.219 3.281 20 0 EGADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000414979824 309112597 /nfs/dbraw/zinc/11/25/97/309112597.db2.gz OQPQDBRIOVBZAO-QGZVFWFLSA-N 2 1 332.419 3.240 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000415076973 309118711 /nfs/dbraw/zinc/11/87/11/309118711.db2.gz DEEVGWSAZUPUDI-INMHGKMJSA-N 2 1 349.906 3.346 20 0 EGADMP COc1ccc(Oc2ccc(C[N@@H+]3CCCO[C@@H](C[NH3+])C3)cc2)cc1 ZINC000415101100 309120389 /nfs/dbraw/zinc/12/03/89/309120389.db2.gz BRUYSSYKJOYIQR-FQEVSTJZSA-N 2 1 342.439 3.037 20 0 EGADMP COc1ccc(Oc2ccc(C[N@H+]3CCCO[C@@H](C[NH3+])C3)cc2)cc1 ZINC000415101100 309120390 /nfs/dbraw/zinc/12/03/90/309120390.db2.gz BRUYSSYKJOYIQR-FQEVSTJZSA-N 2 1 342.439 3.037 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Cl)ccc3F)CC2)C1 ZINC000415123865 309122028 /nfs/dbraw/zinc/12/20/28/309122028.db2.gz LQYSRQSSMRTKFK-NVXWUHKLSA-N 2 1 326.843 3.197 20 0 EGADMP Clc1cccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1Cl ZINC000415132811 309122931 /nfs/dbraw/zinc/12/29/31/309122931.db2.gz LZVXWKVXOPXASY-HIFRSBDPSA-N 2 1 341.282 3.194 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)C[C@H]1C[NH3+] ZINC000415134330 309123109 /nfs/dbraw/zinc/12/31/09/309123109.db2.gz VZULSYCTWBBZDF-ZIAGYGMSSA-N 2 1 332.879 3.157 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)C[C@H]1C[NH3+] ZINC000415134330 309123110 /nfs/dbraw/zinc/12/31/10/309123110.db2.gz VZULSYCTWBBZDF-ZIAGYGMSSA-N 2 1 332.879 3.157 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415970637 309152081 /nfs/dbraw/zinc/15/20/81/309152081.db2.gz FMBWEHIQMFYQPM-SJLPKXTDSA-N 2 1 344.503 3.264 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000415973957 309152142 /nfs/dbraw/zinc/15/21/42/309152142.db2.gz PVUCWMJMYGZLPF-INIZCTEOSA-N 2 1 332.492 3.182 20 0 EGADMP C[C@H](CCNC(=O)Nc1ccc(C[NH3+])cc1)[N@@H+](C)Cc1ccccc1 ZINC000415981610 309152663 /nfs/dbraw/zinc/15/26/63/309152663.db2.gz WLATXOVKSUONRG-MRXNPFEDSA-N 2 1 340.471 3.177 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccccc2C(=O)N(C)C)c1 ZINC000417915313 309228213 /nfs/dbraw/zinc/22/82/13/309228213.db2.gz UJAPVYXUOQGCIB-UHFFFAOYSA-N 2 1 339.483 3.130 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420293639 309279692 /nfs/dbraw/zinc/27/96/92/309279692.db2.gz RKEZEBXVZNUHEX-QFBILLFUSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420293639 309279693 /nfs/dbraw/zinc/27/96/93/309279693.db2.gz RKEZEBXVZNUHEX-QFBILLFUSA-N 2 1 325.456 3.220 20 0 EGADMP COc1cc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)C2CC2)ccc1OC(F)F ZINC000420301772 309280410 /nfs/dbraw/zinc/28/04/10/309280410.db2.gz JCNPPJFSXKOCKE-ZDUSSCGKSA-N 2 1 340.414 3.261 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000420301263 309280523 /nfs/dbraw/zinc/28/05/23/309280523.db2.gz IOXRLZKDHARCME-UFYCRDLUSA-N 2 1 344.886 3.408 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000420301263 309280524 /nfs/dbraw/zinc/28/05/24/309280524.db2.gz IOXRLZKDHARCME-UFYCRDLUSA-N 2 1 344.886 3.408 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420308293 309280974 /nfs/dbraw/zinc/28/09/74/309280974.db2.gz NJSBGQJWUUWSHC-QRTARXTBSA-N 2 1 342.439 3.169 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2cccc3ccccc32)CC12CCOCC2 ZINC000420331455 309282593 /nfs/dbraw/zinc/28/25/93/309282593.db2.gz QUNOYRQZTUBJJO-HXUWFJFHSA-N 2 1 338.495 3.460 20 0 EGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330557 309282620 /nfs/dbraw/zinc/28/26/20/309282620.db2.gz AUSRNHVGWBZSGS-QZTJIDSGSA-N 2 1 325.456 3.472 20 0 EGADMP Fc1ccc(-n2ccc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)c(F)c1 ZINC000420332970 309282834 /nfs/dbraw/zinc/28/28/34/309282834.db2.gz GZZQCJUZGRMJSL-GOSISDBHSA-N 2 1 346.425 3.115 20 0 EGADMP Clc1ccc(-n2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420337779 309283130 /nfs/dbraw/zinc/28/31/30/309283130.db2.gz XAUSOSMDAQGROE-HZPDHXFCSA-N 2 1 344.890 3.347 20 0 EGADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340061 309283235 /nfs/dbraw/zinc/28/32/35/309283235.db2.gz MLOKLPFPARTWBL-ROUUACIJSA-N 2 1 330.472 3.109 20 0 EGADMP FC(F)(F)c1csc([C@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420359851 309284099 /nfs/dbraw/zinc/28/40/99/309284099.db2.gz KYDCVLSUOXAVDH-RYUDHWBXSA-N 2 1 333.423 3.341 20 0 EGADMP Cc1ccc(-c2noc(CCC[NH2+][C@@H]3[C@H](C)CC[NH2+][C@@H]3C)n2)cc1F ZINC000420379175 309285377 /nfs/dbraw/zinc/28/53/77/309285377.db2.gz XMPMNXOFPLWEMZ-HBUWYVDXSA-N 2 1 346.450 3.093 20 0 EGADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000420382203 309285597 /nfs/dbraw/zinc/28/55/97/309285597.db2.gz ZMAHCOYGJQKZCD-HFAKWTLXSA-N 2 1 344.286 3.298 20 0 EGADMP CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420946714 309303381 /nfs/dbraw/zinc/30/33/81/309303381.db2.gz NYQFRMCZZKVDAG-NRFANRHFSA-N 2 1 339.483 3.497 20 0 EGADMP CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420946714 309303382 /nfs/dbraw/zinc/30/33/82/309303382.db2.gz NYQFRMCZZKVDAG-NRFANRHFSA-N 2 1 339.483 3.497 20 0 EGADMP OC1(CCC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCC1 ZINC000421374047 309321489 /nfs/dbraw/zinc/32/14/89/309321489.db2.gz NBDDSURFNPWXHJ-HSALFYBXSA-N 2 1 328.500 3.182 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421825800 309341730 /nfs/dbraw/zinc/34/17/30/309341730.db2.gz PICJKDXFJVGBKZ-UNMCSNQZSA-N 2 1 349.522 3.483 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccncc3Cl)CC2)nc(C)[nH+]1 ZINC000421828373 309342027 /nfs/dbraw/zinc/34/20/27/309342027.db2.gz CKVUYLAWQWXRMT-ZDUSSCGKSA-N 2 1 345.878 3.461 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422747469 309366368 /nfs/dbraw/zinc/36/63/68/309366368.db2.gz YUVOZLMDLUJGJG-RSRIQPTJSA-N 2 1 327.516 3.332 20 0 EGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422747469 309366369 /nfs/dbraw/zinc/36/63/69/309366369.db2.gz YUVOZLMDLUJGJG-RSRIQPTJSA-N 2 1 327.516 3.332 20 0 EGADMP COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422761352 309367054 /nfs/dbraw/zinc/36/70/54/309367054.db2.gz HNQFQALFCBTRDL-IXDOHACOSA-N 2 1 348.487 3.113 20 0 EGADMP CCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1OC ZINC000422846550 309371759 /nfs/dbraw/zinc/37/17/59/309371759.db2.gz QBHOSYXTLQYWTI-QAPCUYQASA-N 2 1 328.456 3.142 20 0 EGADMP C[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1c[nH+]ccc1N ZINC000422893142 309374567 /nfs/dbraw/zinc/37/45/67/309374567.db2.gz OZYNVXQSXAVCIE-LLVKDONJSA-N 2 1 325.334 3.286 20 0 EGADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422926648 309376452 /nfs/dbraw/zinc/37/64/52/309376452.db2.gz XFSRKEIVNNUDPP-GIYDNNGJSA-N 2 1 331.504 3.225 20 0 EGADMP c1sc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1C1CC1 ZINC000422939577 309377168 /nfs/dbraw/zinc/37/71/68/309377168.db2.gz MDNJXAZAKOJXAV-DNVCBOLYSA-N 2 1 341.480 3.366 20 0 EGADMP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422945107 309377364 /nfs/dbraw/zinc/37/73/64/309377364.db2.gz UATYEADPZSEKNW-JRPNMDOOSA-N 2 1 329.257 3.249 20 0 EGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)c2ccccc21 ZINC000422959655 309378264 /nfs/dbraw/zinc/37/82/64/309378264.db2.gz TURFQNMSQNCZQY-VQTJNVASSA-N 2 1 335.451 3.043 20 0 EGADMP CCCCOc1ncccc1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422972912 309378930 /nfs/dbraw/zinc/37/89/30/309378930.db2.gz MXMAAYRDHMZNQB-CQSZACIVSA-N 2 1 328.460 3.273 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422996518 309379956 /nfs/dbraw/zinc/37/99/56/309379956.db2.gz MJZPKDCKLMCVRO-GIVPXCGWSA-N 2 1 329.532 3.437 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423003013 309380476 /nfs/dbraw/zinc/38/04/76/309380476.db2.gz KNKORODQQWWIMV-YXYSEUPNSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCCCN1 ZINC000423003013 309380477 /nfs/dbraw/zinc/38/04/77/309380477.db2.gz KNKORODQQWWIMV-YXYSEUPNSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCN1 ZINC000423003013 309380478 /nfs/dbraw/zinc/38/04/78/309380478.db2.gz KNKORODQQWWIMV-YXYSEUPNSA-N 2 1 329.532 3.407 20 0 EGADMP CC[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423005144 309380684 /nfs/dbraw/zinc/38/06/84/309380684.db2.gz QWJGWQLKMOGKKQ-NRDMVMEKSA-N 3 1 329.532 3.407 20 0 EGADMP CC[C@H](NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423005144 309380685 /nfs/dbraw/zinc/38/06/85/309380685.db2.gz QWJGWQLKMOGKKQ-NRDMVMEKSA-N 2 1 329.532 3.407 20 0 EGADMP CC[C@H](NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423005144 309380686 /nfs/dbraw/zinc/38/06/86/309380686.db2.gz QWJGWQLKMOGKKQ-NRDMVMEKSA-N 2 1 329.532 3.407 20 0 EGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000423026675 309381830 /nfs/dbraw/zinc/38/18/30/309381830.db2.gz BVXODMZBDSEMPU-UZLBHIALSA-N 2 1 334.467 3.135 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423032017 309382097 /nfs/dbraw/zinc/38/20/97/309382097.db2.gz MBSRDLIEMIUGQI-BZNIZROVSA-N 2 1 336.277 3.061 20 0 EGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423039049 309382427 /nfs/dbraw/zinc/38/24/27/309382427.db2.gz ZYWLOEODQOGACV-DLBZAZTESA-N 2 1 342.314 3.427 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000423066886 309384127 /nfs/dbraw/zinc/38/41/27/309384127.db2.gz FQLARQCVSANEQV-ZLDLUXBVSA-N 2 1 328.287 3.302 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423083387 309385039 /nfs/dbraw/zinc/38/50/39/309385039.db2.gz FZCVSNZKWLUROY-BWAGFHJFSA-N 2 1 337.511 3.057 20 0 EGADMP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])cc2)c1 ZINC000423112092 309386421 /nfs/dbraw/zinc/38/64/21/309386421.db2.gz XBEVCRIQAGMPDM-UXHICEINSA-N 2 1 342.439 3.466 20 0 EGADMP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423115912 309386738 /nfs/dbraw/zinc/38/67/38/309386738.db2.gz YZQKFARABZGAKC-UMSONDCASA-N 2 1 346.515 3.324 20 0 EGADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423112606 309386753 /nfs/dbraw/zinc/38/67/53/309386753.db2.gz SFDGVLRSYHYHIO-AAEUAGOBSA-N 2 1 332.366 3.201 20 0 EGADMP COc1ccc([C@@H]([NH2+]C2CC[NH2+]CC2)C(C)C)c(Br)c1 ZINC000423185902 309389495 /nfs/dbraw/zinc/38/94/95/309389495.db2.gz NVEAQAXEZSXSPJ-INIZCTEOSA-N 2 1 341.293 3.496 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](N[C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423188647 309389683 /nfs/dbraw/zinc/38/96/83/309389683.db2.gz LYAGSXOMFZMMHI-WOZUAGRISA-N 3 1 327.516 3.019 20 0 EGADMP COc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc(OC)c1OC ZINC000423258812 309392861 /nfs/dbraw/zinc/39/28/61/309392861.db2.gz CMIOFSOZEHFERX-XJKSGUPXSA-N 2 1 336.476 3.271 20 0 EGADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000423266103 309393204 /nfs/dbraw/zinc/39/32/04/309393204.db2.gz CTJPYPBTNCOZKT-ZJUUUORDSA-N 2 1 338.345 3.396 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1OC ZINC000423268921 309393457 /nfs/dbraw/zinc/39/34/57/309393457.db2.gz VIFZOOLKXVUYAO-MAUKXSAKSA-N 2 1 334.504 3.440 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423412557 309399074 /nfs/dbraw/zinc/39/90/74/309399074.db2.gz XDJCYYMHXVNCCK-DLBZAZTESA-N 2 1 337.467 3.053 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423412557 309399075 /nfs/dbraw/zinc/39/90/75/309399075.db2.gz XDJCYYMHXVNCCK-DLBZAZTESA-N 2 1 337.467 3.053 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)[C@H]1c1cccs1 ZINC000423426514 309399886 /nfs/dbraw/zinc/39/98/86/309399886.db2.gz PMAAFPBEDJPDKZ-HYVNUMGLSA-N 2 1 349.544 3.025 20 0 EGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]2CCCC2)cc1O ZINC000426395258 309506364 /nfs/dbraw/zinc/50/63/64/309506364.db2.gz MDXRNBYQSXXUMK-SJLPKXTDSA-N 2 1 334.504 3.432 20 0 EGADMP CC(C)CCc1nc(C[NH+]2CCC(OCCC[NH3+])CC2)cs1 ZINC000430588098 309612089 /nfs/dbraw/zinc/61/20/89/309612089.db2.gz BYYBFAQDZHEVNN-UHFFFAOYSA-N 2 1 325.522 3.062 20 0 EGADMP O=C1CCN1c1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000442795327 309887263 /nfs/dbraw/zinc/88/72/63/309887263.db2.gz DZRFUTQQTIVNCG-UHFFFAOYSA-N 2 1 341.499 3.310 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000448234798 310000677 /nfs/dbraw/zinc/00/06/77/310000677.db2.gz RHQHYAPRCJZNGE-NSISKUIASA-N 2 1 337.467 3.028 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000448356526 310002663 /nfs/dbraw/zinc/00/26/63/310002663.db2.gz SKVACFYEMZRBSH-HXUWFJFHSA-N 2 1 345.531 3.075 20 0 EGADMP COCCC[NH+]1CCC([NH2+]Cc2cc3ccccc3c(OC)c2)CC1 ZINC000449112713 310038076 /nfs/dbraw/zinc/03/80/76/310038076.db2.gz SDHKMHREGZKQNS-UHFFFAOYSA-N 2 1 342.483 3.439 20 0 EGADMP COc1cccc2c(C[NH2+]C[C@@H](O)C[NH+]3CCC(C)CC3)cccc12 ZINC000449120349 310038460 /nfs/dbraw/zinc/03/84/60/310038460.db2.gz CRCDVNUIUNFCJZ-GOSISDBHSA-N 2 1 342.483 3.031 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccnn2C2CCCC2)[C@H](C)C1 ZINC000449141349 310039854 /nfs/dbraw/zinc/03/98/54/310039854.db2.gz PUZAOQLJIJCJMT-XLIONFOSSA-N 2 1 348.535 3.225 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccnn2C2CCCC2)[C@H](C)C1 ZINC000449141349 310039855 /nfs/dbraw/zinc/03/98/55/310039855.db2.gz PUZAOQLJIJCJMT-XLIONFOSSA-N 2 1 348.535 3.225 20 0 EGADMP COc1cccc2c(C[NH2+]CCCC[N@H+]3CCC[C@@H]3CO)cccc12 ZINC000449151071 310040634 /nfs/dbraw/zinc/04/06/34/310040634.db2.gz VNAJBOPWTFBMRD-GOSISDBHSA-N 2 1 342.483 3.175 20 0 EGADMP COc1ccc(-n2cc(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)cn2)cc1 ZINC000449220407 310045553 /nfs/dbraw/zinc/04/55/53/310045553.db2.gz QALVYPFJTXPYFL-UHFFFAOYSA-N 2 1 342.487 3.280 20 0 EGADMP COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc2ccccc21 ZINC000449287375 310050267 /nfs/dbraw/zinc/05/02/67/310050267.db2.gz WOXHYEKERRPCET-KRWDZBQOSA-N 2 1 342.483 3.439 20 0 EGADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cccc(F)c2Br)C1 ZINC000449325189 310053591 /nfs/dbraw/zinc/05/35/91/310053591.db2.gz KSRJMGCAMAUSPJ-GFCCVEGCSA-N 2 1 338.224 3.311 20 0 EGADMP Cn1ccnc1[C@@H]1CCN(Cc2cccc(F)c2Br)C1 ZINC000449325189 310053592 /nfs/dbraw/zinc/05/35/92/310053592.db2.gz KSRJMGCAMAUSPJ-GFCCVEGCSA-N 2 1 338.224 3.311 20 0 EGADMP CC[N@H+]1CC[C@@H](NCC2([NH+](C)Cc3ccccc3)CCC2)[C@H](C)C1 ZINC000449472847 310064976 /nfs/dbraw/zinc/06/49/76/310064976.db2.gz GHZQQSKHCIXAFK-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CC[C@@H](NCC2([N@H+](C)Cc3ccccc3)CCC2)[C@H](C)C1 ZINC000449472847 310064977 /nfs/dbraw/zinc/06/49/77/310064977.db2.gz GHZQQSKHCIXAFK-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CC[C@@H](NCC2([N@@H+](C)Cc3ccccc3)CCC2)[C@H](C)C1 ZINC000449472847 310064978 /nfs/dbraw/zinc/06/49/78/310064978.db2.gz GHZQQSKHCIXAFK-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]CC2(N(C)Cc3ccccc3)CCC2)[C@H](C)C1 ZINC000449472847 310064979 /nfs/dbraw/zinc/06/49/79/310064979.db2.gz GHZQQSKHCIXAFK-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(N(C)Cc3ccccc3)CCC2)[C@H](C)C1 ZINC000449472847 310064980 /nfs/dbraw/zinc/06/49/80/310064980.db2.gz GHZQQSKHCIXAFK-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H](NCC[N@H+]1CCCC1(C)C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449780527 310086699 /nfs/dbraw/zinc/08/66/99/310086699.db2.gz GFSKAAQRFXXVGL-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H](NCC[NH+]1CCCC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449780527 310086700 /nfs/dbraw/zinc/08/67/00/310086700.db2.gz GFSKAAQRFXXVGL-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H](NCC[NH+]1CCCC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449780527 310086701 /nfs/dbraw/zinc/08/67/01/310086701.db2.gz GFSKAAQRFXXVGL-QUCCMNQESA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H](NCC[N@H+]1CCCC1(C)C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449780528 310086821 /nfs/dbraw/zinc/08/68/21/310086821.db2.gz GFSKAAQRFXXVGL-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H](NCC[NH+]1CCCC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449780528 310086822 /nfs/dbraw/zinc/08/68/22/310086822.db2.gz GFSKAAQRFXXVGL-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H](NCC[NH+]1CCCC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449780528 310086823 /nfs/dbraw/zinc/08/68/23/310086823.db2.gz GFSKAAQRFXXVGL-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000451527336 310183180 /nfs/dbraw/zinc/18/31/80/310183180.db2.gz DLIMFVHYZDUJLD-AZUAARDMSA-N 2 1 343.515 3.014 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000451527336 310183181 /nfs/dbraw/zinc/18/31/81/310183181.db2.gz DLIMFVHYZDUJLD-AZUAARDMSA-N 2 1 343.515 3.014 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000451527336 310183182 /nfs/dbraw/zinc/18/31/82/310183182.db2.gz DLIMFVHYZDUJLD-AZUAARDMSA-N 2 1 343.515 3.014 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000451527336 310183183 /nfs/dbraw/zinc/18/31/83/310183183.db2.gz DLIMFVHYZDUJLD-AZUAARDMSA-N 2 1 343.515 3.014 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCCOC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453070937 310256034 /nfs/dbraw/zinc/25/60/34/310256034.db2.gz PYKUEEGRMGKFCO-XSDIEEQYSA-N 2 1 328.500 3.446 20 0 EGADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccncc1 ZINC000453073674 310256264 /nfs/dbraw/zinc/25/62/64/310256264.db2.gz FXZQVUJNSBLONF-HXUWFJFHSA-N 2 1 325.456 3.155 20 0 EGADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453117434 310259076 /nfs/dbraw/zinc/25/90/76/310259076.db2.gz KQPHDBMCFTZQBC-XRXFAXGQSA-N 2 1 330.516 3.426 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3cnccn3)[C@H]3CCC[C@H]32)cc1 ZINC000453172468 310262325 /nfs/dbraw/zinc/26/23/25/310262325.db2.gz XWHWPTKGOHERNT-QHAWAJNXSA-N 2 1 336.483 3.052 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453183618 310262972 /nfs/dbraw/zinc/26/29/72/310262972.db2.gz UTMXGPKBNVQXHE-YPAWHYETSA-N 3 1 339.527 3.281 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453183618 310262973 /nfs/dbraw/zinc/26/29/73/310262973.db2.gz UTMXGPKBNVQXHE-YPAWHYETSA-N 3 1 339.527 3.281 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453183618 310262974 /nfs/dbraw/zinc/26/29/74/310262974.db2.gz UTMXGPKBNVQXHE-YPAWHYETSA-N 3 1 339.527 3.281 20 0 EGADMP C[N@H+]1CC=C(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453183618 310262975 /nfs/dbraw/zinc/26/29/75/310262975.db2.gz UTMXGPKBNVQXHE-YPAWHYETSA-N 2 1 339.527 3.281 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453183618 310262976 /nfs/dbraw/zinc/26/29/76/310262976.db2.gz UTMXGPKBNVQXHE-YPAWHYETSA-N 2 1 339.527 3.281 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC3=CCCOC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453225463 310265079 /nfs/dbraw/zinc/26/50/79/310265079.db2.gz MTJSQXRSLBXUOZ-HBMCJLEFSA-N 2 1 326.484 3.366 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000453342983 310272011 /nfs/dbraw/zinc/27/20/11/310272011.db2.gz IINKCCMWOXPISN-OHRKKDJYSA-N 2 1 327.472 3.192 20 0 EGADMP C[C@H]([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@]2(CCOC2)C1 ZINC000453381836 310273928 /nfs/dbraw/zinc/27/39/28/310273928.db2.gz RIFXWROOWRIJJV-NRSPTQNISA-N 2 1 328.500 3.400 20 0 EGADMP C[C@H]([C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453381836 310273929 /nfs/dbraw/zinc/27/39/29/310273929.db2.gz RIFXWROOWRIJJV-NRSPTQNISA-N 2 1 328.500 3.400 20 0 EGADMP C[C@H]([C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000453381836 310273930 /nfs/dbraw/zinc/27/39/30/310273930.db2.gz RIFXWROOWRIJJV-NRSPTQNISA-N 2 1 328.500 3.400 20 0 EGADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455912346 310382074 /nfs/dbraw/zinc/38/20/74/310382074.db2.gz JEWIJWGOOBZKMB-OALUTQOASA-N 2 1 344.503 3.039 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(O)c1Br ZINC000459392935 310549715 /nfs/dbraw/zinc/54/97/15/310549715.db2.gz RRSLUFICENNADZ-LLVKDONJSA-N 2 1 338.249 3.086 20 0 EGADMP CCOC(=O)C1(C)CCC([NH2+]C[C@H](C(CC)CC)[NH+](C)C)CC1 ZINC000474475640 310794454 /nfs/dbraw/zinc/79/44/54/310794454.db2.gz NRIYHQMOIZWVKP-TVRKMHQQSA-N 2 1 326.525 3.454 20 0 EGADMP Cc1ccccc1-n1nccc1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000474948898 310802173 /nfs/dbraw/zinc/80/21/73/310802173.db2.gz SIUHPJYEOUGLGJ-UHFFFAOYSA-N 2 1 326.488 3.392 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000482138378 310926939 /nfs/dbraw/zinc/92/69/39/310926939.db2.gz OHWOGQNOCMQPNA-ZSYWTGECSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000482645682 310935418 /nfs/dbraw/zinc/93/54/18/310935418.db2.gz HZXRTRDDXBODMD-HZPDHXFCSA-N 2 1 347.330 3.463 20 0 EGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC3CCCCC3)CC2)CC1 ZINC000483254332 310946186 /nfs/dbraw/zinc/94/61/86/310946186.db2.gz GAMBPZKSJVEJHR-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CS[C@H](C(C)C)C2)[C@@H](C)C1 ZINC000488449108 311066208 /nfs/dbraw/zinc/06/62/08/311066208.db2.gz MUHFFIGHABVZRT-XSLAGTTESA-N 2 1 328.566 3.243 20 0 EGADMP CCCc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000490963939 311158993 /nfs/dbraw/zinc/15/89/93/311158993.db2.gz ISOKOXOESJTDLV-GHTZIAJQSA-N 2 1 329.532 3.097 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000491547777 311184271 /nfs/dbraw/zinc/18/42/71/311184271.db2.gz QVFWLTKNCIBMBW-CQSZACIVSA-N 2 1 348.922 3.489 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+]C(C)(C)C[NH+]2CCCC2)C1 ZINC000496323916 311696030 /nfs/dbraw/zinc/69/60/30/311696030.db2.gz JOELRKLXLFAMAH-MRXNPFEDSA-N 2 1 339.524 3.098 20 0 EGADMP CCC(CC)NC(=O)[C@H](C)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506471590 312049605 /nfs/dbraw/zinc/04/96/05/312049605.db2.gz DNLBNVWEGLOVRO-OKZBNKHCSA-N 2 1 337.552 3.266 20 0 EGADMP COCC[NH+]1CCC(Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)CC1 ZINC000507450186 312072352 /nfs/dbraw/zinc/07/23/52/312072352.db2.gz POWAVXCKOICETL-QGZVFWFLSA-N 2 1 346.519 3.292 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCCOC1 ZINC000507480659 312074125 /nfs/dbraw/zinc/07/41/25/312074125.db2.gz PLAQHBUXSAZRMY-WMZOPIPTSA-N 2 1 334.479 3.237 20 0 EGADMP Cc1cc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c2ccccc2[nH+]1 ZINC000509056823 312108684 /nfs/dbraw/zinc/10/86/84/312108684.db2.gz ZBBBLCIHAMUZRQ-JOCHJYFZSA-N 2 1 347.462 3.451 20 0 EGADMP OC[C@H](CC1CCCC1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000510935815 312150968 /nfs/dbraw/zinc/15/09/68/312150968.db2.gz UJUJHKYJQIAVQG-NRFANRHFSA-N 2 1 330.516 3.224 20 0 EGADMP COC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000512294617 312182327 /nfs/dbraw/zinc/18/23/27/312182327.db2.gz JPVOTLHVLXSXKQ-HSALFYBXSA-N 2 1 328.500 3.446 20 0 EGADMP COc1ccc([C@H]2C[C@H]([NH2+]Cc3ncc(C[NH+](C)C)s3)C2)cc1F ZINC000512344373 312183681 /nfs/dbraw/zinc/18/36/81/312183681.db2.gz XDPYCPOKFBAMBY-HDJSIYSDSA-N 2 1 349.475 3.388 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOC1 ZINC000512610538 312189954 /nfs/dbraw/zinc/18/99/54/312189954.db2.gz BYQNKVYYFAFFQG-XRXFAXGQSA-N 2 1 328.500 3.303 20 0 EGADMP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCO1 ZINC000512610503 312189960 /nfs/dbraw/zinc/18/99/60/312189960.db2.gz BTISEBFAJWHLPZ-XRXFAXGQSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000513079861 312201150 /nfs/dbraw/zinc/20/11/50/312201150.db2.gz BXPLODXRUNOLCO-XHSDSOJGSA-N 2 1 349.485 3.359 20 0 EGADMP CCn1nccc1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513513240 312211941 /nfs/dbraw/zinc/21/19/41/312211941.db2.gz SBVYNFZZVMHZLY-MJGOQNOKSA-N 2 1 326.488 3.293 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]CC2([NH+](C)C)CCCC2)c(C)c1OC ZINC000514083332 312223945 /nfs/dbraw/zinc/22/39/45/312223945.db2.gz KPRWAQGYHBGHPB-HNNXBMFYSA-N 2 1 334.504 3.407 20 0 EGADMP CC[NH+](CC)CCC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000514235566 312228724 /nfs/dbraw/zinc/22/87/24/312228724.db2.gz FIXWORUYCCDLPY-RTBURBONSA-N 3 1 331.548 3.465 20 0 EGADMP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000514735662 312242724 /nfs/dbraw/zinc/24/27/24/312242724.db2.gz DBEBNIHNNXQIBG-IBGZPJMESA-N 2 1 337.467 3.209 20 0 EGADMP C[N@@H+](CCOc1cccc(C[NH2+]CC2(C)CC2)c1)C1CCOCC1 ZINC000515543371 312288442 /nfs/dbraw/zinc/28/84/42/312288442.db2.gz OQTYWXJVEXCQFO-UHFFFAOYSA-N 2 1 332.488 3.066 20 0 EGADMP COCC[NH+](CCOC)C1CC[NH+](C[C@H]2CCCC(C)(C)C2)CC1 ZINC000516215469 312314855 /nfs/dbraw/zinc/31/48/55/312314855.db2.gz VVLNDRXIBMWUET-SFHVURJKSA-N 2 1 340.552 3.262 20 0 EGADMP O=C(Nc1ccccc1)[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000517024129 312358818 /nfs/dbraw/zinc/35/88/18/312358818.db2.gz GVHJVIABNBLWMN-JKWVGCSGSA-N 2 1 349.478 3.109 20 0 EGADMP C[C@H]1C[C@@H](N(C)C(=O)CCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000517444933 312379619 /nfs/dbraw/zinc/37/96/19/312379619.db2.gz DRNILKWSHMLLOE-ICSRJNTNSA-N 2 1 345.531 3.230 20 0 EGADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000528370532 313076046 /nfs/dbraw/zinc/07/60/46/313076046.db2.gz FFDQNAHRRZBXLQ-HXUWFJFHSA-N 2 1 336.495 3.435 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528762730 313166855 /nfs/dbraw/zinc/16/68/55/313166855.db2.gz UDAARGPOSRZEJU-UHFFFAOYSA-N 2 1 337.471 3.275 20 0 EGADMP COc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc(C(F)(F)F)c1 ZINC000529569639 313358451 /nfs/dbraw/zinc/35/84/51/313358451.db2.gz PBRVCGDUWCZUGT-LRDDRELGSA-N 2 1 330.394 3.486 20 0 EGADMP COc1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc(C(F)(F)F)c1 ZINC000529569639 313358453 /nfs/dbraw/zinc/35/84/53/313358453.db2.gz PBRVCGDUWCZUGT-LRDDRELGSA-N 2 1 330.394 3.486 20 0 EGADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc(C(F)(F)F)c1 ZINC000529569639 313358455 /nfs/dbraw/zinc/35/84/55/313358455.db2.gz PBRVCGDUWCZUGT-LRDDRELGSA-N 2 1 330.394 3.486 20 0 EGADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc(C(F)(F)F)c1 ZINC000529569639 313358457 /nfs/dbraw/zinc/35/84/57/313358457.db2.gz PBRVCGDUWCZUGT-LRDDRELGSA-N 2 1 330.394 3.486 20 0 EGADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc(C(F)(F)F)c1 ZINC000529569639 313358460 /nfs/dbraw/zinc/35/84/60/313358460.db2.gz PBRVCGDUWCZUGT-LRDDRELGSA-N 2 1 330.394 3.486 20 0 EGADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc(C(F)(F)F)c1 ZINC000529569639 313358463 /nfs/dbraw/zinc/35/84/63/313358463.db2.gz PBRVCGDUWCZUGT-LRDDRELGSA-N 2 1 330.394 3.486 20 0 EGADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000532465063 313803181 /nfs/dbraw/zinc/80/31/81/313803181.db2.gz HGXGMWPWRMZYJJ-AUVVZJRPSA-N 2 1 336.442 3.178 20 0 EGADMP C[N@@H+](CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)Cc1ccccc1 ZINC000536308740 314106146 /nfs/dbraw/zinc/10/61/46/314106146.db2.gz OWNLHFMVDUNMCN-XUVXKRRUSA-N 2 1 328.500 3.446 20 0 EGADMP CCc1ccc([C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C(C)C)cc1 ZINC000536998291 314155740 /nfs/dbraw/zinc/15/57/40/314155740.db2.gz NEFXSCYIEFOLCT-PMACEKPBSA-N 2 1 345.531 3.123 20 0 EGADMP CC[N@@H+](CCC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1)CC(C)C ZINC000538034892 314225039 /nfs/dbraw/zinc/22/50/39/314225039.db2.gz LRTXTKIYSMSEAO-IBGZPJMESA-N 2 1 339.568 3.179 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000540178087 314367766 /nfs/dbraw/zinc/36/77/66/314367766.db2.gz PVXBGQPMIIWHDS-UONOGXRCSA-N 2 1 326.444 3.063 20 0 EGADMP C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+](C)Cc1ccccc1 ZINC000548389418 315002559 /nfs/dbraw/zinc/00/25/59/315002559.db2.gz JAIIRHFZSXBJDI-GOSISDBHSA-N 2 1 345.531 3.278 20 0 EGADMP CC(C)[C@H]1C[NH+](CCCC[N@H+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000550187659 315119892 /nfs/dbraw/zinc/11/98/92/315119892.db2.gz GXEIKFSJOGYNKA-WOJBJXKFSA-N 2 1 340.552 3.260 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000551008320 315139642 /nfs/dbraw/zinc/13/96/42/315139642.db2.gz WMSMOUKCWPVUQY-BAGYTPMASA-N 2 1 338.495 3.263 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000551008320 315139645 /nfs/dbraw/zinc/13/96/45/315139645.db2.gz WMSMOUKCWPVUQY-BAGYTPMASA-N 2 1 338.495 3.263 20 0 EGADMP Cc1ccccc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000551090832 315141727 /nfs/dbraw/zinc/14/17/27/315141727.db2.gz WNAMSGUELMVWOH-NRFANRHFSA-N 2 1 329.532 3.376 20 0 EGADMP C[C@H]([NH2+]C[C@]1(O)CCCC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000552357504 315215997 /nfs/dbraw/zinc/21/59/97/315215997.db2.gz CMYIQECCVVZFDQ-HFSMHLIXSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCCC[NH+](C)C)cc2)C1 ZINC000552366567 315216519 /nfs/dbraw/zinc/21/65/19/315216519.db2.gz NLLZDCOTSXHLQL-GOSISDBHSA-N 2 1 345.531 3.267 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000554388164 315315093 /nfs/dbraw/zinc/31/50/93/315315093.db2.gz FBTJBZGBRPRVRR-WJMWBRGCSA-N 2 1 330.516 3.428 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000554388164 315315097 /nfs/dbraw/zinc/31/50/97/315315097.db2.gz FBTJBZGBRPRVRR-WJMWBRGCSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000555235157 315374671 /nfs/dbraw/zinc/37/46/71/315374671.db2.gz GNLJDIXSYKXFCN-RTWAWAEBSA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000555235157 315374672 /nfs/dbraw/zinc/37/46/72/315374672.db2.gz GNLJDIXSYKXFCN-RTWAWAEBSA-N 2 1 330.516 3.428 20 0 EGADMP Cc1cc(N2CCC([NH2+]C3CCC4(CCCO4)CC3)CC2)nc(C)[nH+]1 ZINC000555332624 315379633 /nfs/dbraw/zinc/37/96/33/315379633.db2.gz GVQPPVURPWAETP-UHFFFAOYSA-N 2 1 344.503 3.144 20 0 EGADMP CCc1c(C)[nH+]c2ccccc2c1N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000561356467 315758252 /nfs/dbraw/zinc/75/82/52/315758252.db2.gz OXMZQENTUIYPRY-DOTOQJQBSA-N 2 1 339.483 3.405 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000563372925 316009540 /nfs/dbraw/zinc/00/95/40/316009540.db2.gz BXSKWDMXGIROFX-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@@H+](C[C@@H](O)CNCc1ccc(Sc2ccccc2)cc1)C1CC1 ZINC000563952614 316096259 /nfs/dbraw/zinc/09/62/59/316096259.db2.gz NBXIBEUJRJIOHC-SFHVURJKSA-N 2 1 342.508 3.383 20 0 EGADMP CN(C[C@@H](O)C[NH2+]Cc1ccc(Sc2ccccc2)cc1)C1CC1 ZINC000563952614 316096262 /nfs/dbraw/zinc/09/62/62/316096262.db2.gz NBXIBEUJRJIOHC-SFHVURJKSA-N 2 1 342.508 3.383 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C[C@@H]1C ZINC000564459656 316155504 /nfs/dbraw/zinc/15/55/04/316155504.db2.gz LVBSBGUUTNKGSX-BJLQDIEVSA-N 2 1 345.531 3.285 20 0 EGADMP [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000565028603 316251691 /nfs/dbraw/zinc/25/16/91/316251691.db2.gz JJCVIJPBVVBUMV-WBVHZDCISA-N 2 1 347.528 3.082 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[C@H](C)C[C@H]3C)CC2)CC1 ZINC000565184605 316285983 /nfs/dbraw/zinc/28/59/83/316285983.db2.gz CGUYWAOZNAMJRB-SQGPQFPESA-N 2 1 349.563 3.124 20 0 EGADMP Cc1ncc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)n1C ZINC000565242262 316297909 /nfs/dbraw/zinc/29/79/09/316297909.db2.gz MCUBICXHBVWAHA-UHFFFAOYSA-N 2 1 338.455 3.243 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cncc(Br)c1 ZINC000566499653 316487674 /nfs/dbraw/zinc/48/76/74/316487674.db2.gz BIUDGZAXBIXUJK-GLQYFDAESA-N 2 1 326.282 3.368 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000163112850 454824252 /nfs/dbraw/zinc/82/42/52/454824252.db2.gz NMTBAFDHJWPTID-JTNHKYCSSA-N 2 1 331.291 3.119 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC2(O)CCC(C)CC2)cc1F ZINC000570270514 317030918 /nfs/dbraw/zinc/03/09/18/317030918.db2.gz JMMDWMBGNOYVFJ-UHFFFAOYSA-N 2 1 331.435 3.351 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000570503536 317064807 /nfs/dbraw/zinc/06/48/07/317064807.db2.gz IXTHJNKNAVQOCZ-QGZVFWFLSA-N 2 1 326.444 3.089 20 0 EGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(C)c1 ZINC000570606623 317080427 /nfs/dbraw/zinc/08/04/27/317080427.db2.gz XQLBFMATAFUQJB-QZTJIDSGSA-N 2 1 331.504 3.340 20 0 EGADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000570953583 317132451 /nfs/dbraw/zinc/13/24/51/317132451.db2.gz PQMLRIKKBPJLSQ-IYWMVGAKSA-N 2 1 343.515 3.153 20 0 EGADMP C(CC[N@H+]1CCSC[C@H]1C1CC1)C[NH+]1CCSC[C@H]1C1CC1 ZINC000571137006 317154571 /nfs/dbraw/zinc/15/45/71/317154571.db2.gz KXJSAKRNVMMNDH-ROUUACIJSA-N 2 1 340.602 3.421 20 0 EGADMP C[C@@H](C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)[NH+]1CC(C)C1 ZINC000571175840 317162213 /nfs/dbraw/zinc/16/22/13/317162213.db2.gz JUPDTXIMURILAR-SFHVURJKSA-N 2 1 343.515 3.240 20 0 EGADMP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1cc2c(s1)CCCC2 ZINC000571431999 317198838 /nfs/dbraw/zinc/19/88/38/317198838.db2.gz AFGVABXRTBFYMC-GFCCVEGCSA-N 2 1 345.516 3.063 20 0 EGADMP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000572713921 317379798 /nfs/dbraw/zinc/37/97/98/317379798.db2.gz MNMSTTAELRETTP-AWEZNQCLSA-N 2 1 341.503 3.420 20 0 EGADMP Clc1ccc(O[C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)cc1Cl ZINC000178976599 454994911 /nfs/dbraw/zinc/99/49/11/454994911.db2.gz IEOMMIKKJSOUBO-AWEZNQCLSA-N 2 1 329.271 3.446 20 0 EGADMP C[C@@H](C[NH2+]Cc1cc(Br)c(Cl)s1)C[NH+](C)C ZINC000381115873 324244478 /nfs/dbraw/zinc/24/44/78/324244478.db2.gz HCZDVZBEUINYMN-QMMMGPOBSA-N 2 1 325.703 3.451 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000381933104 324247557 /nfs/dbraw/zinc/24/75/57/324247557.db2.gz SOCYFNANTYEYLH-PMPSAXMXSA-N 2 1 327.513 3.142 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000381933104 324247561 /nfs/dbraw/zinc/24/75/61/324247561.db2.gz SOCYFNANTYEYLH-PMPSAXMXSA-N 2 1 327.513 3.142 20 0 EGADMP Fc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC000382495820 324252021 /nfs/dbraw/zinc/25/20/21/324252021.db2.gz LUSBTPYUCDSJFU-BETUJISGSA-N 2 1 327.241 3.020 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000395004354 324293095 /nfs/dbraw/zinc/29/30/95/324293095.db2.gz KSUKHUOURLFNGU-HMXCVIKNSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000395004354 324293097 /nfs/dbraw/zinc/29/30/97/324293097.db2.gz KSUKHUOURLFNGU-HMXCVIKNSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000395004354 324293099 /nfs/dbraw/zinc/29/30/99/324293099.db2.gz KSUKHUOURLFNGU-HMXCVIKNSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000395004354 324293103 /nfs/dbraw/zinc/29/31/03/324293103.db2.gz KSUKHUOURLFNGU-HMXCVIKNSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000395004354 324293105 /nfs/dbraw/zinc/29/31/05/324293105.db2.gz KSUKHUOURLFNGU-HMXCVIKNSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000395004354 324293108 /nfs/dbraw/zinc/29/31/08/324293108.db2.gz KSUKHUOURLFNGU-HMXCVIKNSA-N 3 1 329.532 3.219 20 0 EGADMP C[N@@H+](CCC[NH2+]C1CCC(O)(C(F)(F)F)CC1)Cc1ccccc1 ZINC000396321832 324293936 /nfs/dbraw/zinc/29/39/36/324293936.db2.gz MCZUERILANMIOQ-UHFFFAOYSA-N 2 1 344.421 3.334 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512652953 324387784 /nfs/dbraw/zinc/38/77/84/324387784.db2.gz CCKWYDZRVJZHAE-DXBBTUNJSA-N 2 1 341.543 3.361 20 0 EGADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512652953 324387787 /nfs/dbraw/zinc/38/77/87/324387787.db2.gz CCKWYDZRVJZHAE-DXBBTUNJSA-N 2 1 341.543 3.361 20 0 EGADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512652953 324387792 /nfs/dbraw/zinc/38/77/92/324387792.db2.gz CCKWYDZRVJZHAE-DXBBTUNJSA-N 2 1 341.543 3.361 20 0 EGADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512652953 324387798 /nfs/dbraw/zinc/38/77/98/324387798.db2.gz CCKWYDZRVJZHAE-DXBBTUNJSA-N 2 1 341.543 3.361 20 0 EGADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512652953 324387803 /nfs/dbraw/zinc/38/78/03/324387803.db2.gz CCKWYDZRVJZHAE-DXBBTUNJSA-N 2 1 341.543 3.361 20 0 EGADMP Fc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Br ZINC000311885457 456591300 /nfs/dbraw/zinc/59/13/00/456591300.db2.gz NRZNGBIUPWFHLJ-BETUJISGSA-N 2 1 327.241 3.020 20 0 EGADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1nc2ccccc2n1C(F)F ZINC000576408728 324608691 /nfs/dbraw/zinc/60/86/91/324608691.db2.gz LQRILOIQRBTXHM-LBPRGKRZSA-N 2 1 333.386 3.448 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000578761986 325015455 /nfs/dbraw/zinc/01/54/55/325015455.db2.gz WAIJXHNCMAMPMO-IKGGRYGDSA-N 2 1 344.421 3.244 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000578997645 325047696 /nfs/dbraw/zinc/04/76/96/325047696.db2.gz JATUUIILXAMBOJ-HNNXBMFYSA-N 2 1 337.895 3.236 20 0 EGADMP C[C@H](CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000579222256 325079355 /nfs/dbraw/zinc/07/93/55/325079355.db2.gz GFAXRHGIRZABNX-DYVFJYSZSA-N 2 1 344.421 3.244 20 0 EGADMP C[C@H](CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000579222256 325079361 /nfs/dbraw/zinc/07/93/61/325079361.db2.gz GFAXRHGIRZABNX-DYVFJYSZSA-N 2 1 344.421 3.244 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ncc(Br)cc1F ZINC000579232617 325081061 /nfs/dbraw/zinc/08/10/61/325081061.db2.gz OTDONQYYJVLSCU-SNVBAGLBSA-N 2 1 338.224 3.293 20 0 EGADMP CCc1noc(C2CCC([NH2+][C@@H]3C[NH2+]C[C@H]3c3ccccc3)CC2)n1 ZINC000580062586 325196890 /nfs/dbraw/zinc/19/68/90/325196890.db2.gz CGBPMJFOLMJPLX-ZGUYJTEBSA-N 2 1 340.471 3.003 20 0 EGADMP CC1(C)CC([NH2+]Cc2cncc(Br)c2)CC(C)(C)[NH2+]1 ZINC000157845129 455238862 /nfs/dbraw/zinc/23/88/62/455238862.db2.gz IVMFURLPTJXHCD-UHFFFAOYSA-N 2 1 326.282 3.243 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCn2ccnc2)CC1 ZINC000183171996 455243890 /nfs/dbraw/zinc/24/38/90/455243890.db2.gz XEQHJBMLJNEWBZ-UHFFFAOYSA-N 2 1 326.488 3.117 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000157912875 455247717 /nfs/dbraw/zinc/24/77/17/455247717.db2.gz MSBRHDLVXFTVLV-OAHLLOKOSA-N 2 1 335.458 3.115 20 0 EGADMP C[N@H+](Cc1cccc(F)c1Br)CC1CC[NH+](C)CC1 ZINC000158062359 455265234 /nfs/dbraw/zinc/26/52/34/455265234.db2.gz ZDNVLZNTIFTEEN-UHFFFAOYSA-N 2 1 329.257 3.362 20 0 EGADMP c1ccc(COc2cccc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)c2)nc1 ZINC000631890079 460589641 /nfs/dbraw/zinc/58/96/41/460589641.db2.gz LZGPKANBJQLHIP-WIYYLYMNSA-N 2 1 337.467 3.235 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000066960815 453889982 /nfs/dbraw/zinc/88/99/82/453889982.db2.gz YXLYSRIEDKHGHF-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP c1ccc(CCOCCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075836558 453929269 /nfs/dbraw/zinc/92/92/69/453929269.db2.gz ZHLPGGWQOLAVTK-NRFANRHFSA-N 2 1 330.516 3.444 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[NH+](C)C2CCC2)C1 ZINC000075841562 453930446 /nfs/dbraw/zinc/93/04/46/453930446.db2.gz MSWFAHCHCPGRHV-KRWDZBQOSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC000075841562 453930448 /nfs/dbraw/zinc/93/04/48/453930448.db2.gz MSWFAHCHCPGRHV-KRWDZBQOSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC000075841562 453930452 /nfs/dbraw/zinc/93/04/52/453930452.db2.gz MSWFAHCHCPGRHV-KRWDZBQOSA-N 2 1 343.515 3.019 20 0 EGADMP CC1CC[NH+](Cc2ccc(CNC(=O)C[N@@H+](C)C3CCC3)cc2)CC1 ZINC000075841795 453930835 /nfs/dbraw/zinc/93/08/35/453930835.db2.gz RNECUGQCEVXWPW-UHFFFAOYSA-N 2 1 343.515 3.019 20 0 EGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000184505852 455392536 /nfs/dbraw/zinc/39/25/36/455392536.db2.gz AMTHZXWVSLGQHP-SJORKVTESA-N 2 1 348.487 3.154 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C)c1C ZINC000076329313 453989498 /nfs/dbraw/zinc/98/94/98/453989498.db2.gz AJFUDKYOGDQUAZ-GOSISDBHSA-N 2 1 346.519 3.183 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(F)cc3F)CC2)C[C@H](C)O1 ZINC000084862060 454012853 /nfs/dbraw/zinc/01/28/53/454012853.db2.gz DHSFWVWTLSKGGN-GASCZTMLSA-N 2 1 338.442 3.286 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(F)cc3F)CC2)C[C@H](C)O1 ZINC000084862060 454012854 /nfs/dbraw/zinc/01/28/54/454012854.db2.gz DHSFWVWTLSKGGN-GASCZTMLSA-N 2 1 338.442 3.286 20 0 EGADMP CCOc1c(Cl)cc(C[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000069754160 454141004 /nfs/dbraw/zinc/14/10/04/454141004.db2.gz IHITVLAZFVSFIK-UHFFFAOYSA-N 2 1 337.851 3.432 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000246057930 455419358 /nfs/dbraw/zinc/41/93/58/455419358.db2.gz YWYSMRVECLKFGF-HDAAZOAOSA-N 2 1 340.515 3.408 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000089514003 454157870 /nfs/dbraw/zinc/15/78/70/454157870.db2.gz XNNRJWZKCCMDFC-IUVQAAGXSA-N 2 1 331.504 3.490 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000089514003 454157872 /nfs/dbraw/zinc/15/78/72/454157872.db2.gz XNNRJWZKCCMDFC-IUVQAAGXSA-N 2 1 331.504 3.490 20 0 EGADMP C[C@@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)[N@H+]1CCCC[C@H]1C ZINC000046008051 454205488 /nfs/dbraw/zinc/20/54/88/454205488.db2.gz XDWYFGPERWRORJ-CVEARBPZSA-N 2 1 332.492 3.133 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000131279794 454244475 /nfs/dbraw/zinc/24/44/75/454244475.db2.gz AQKFJTUFFIBHMR-XYPYXGAPSA-N 2 1 331.287 3.345 20 0 EGADMP CC(C)(C)C[C@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090587113 454324145 /nfs/dbraw/zinc/32/41/45/454324145.db2.gz PCZKZLBPJTVTNF-LJQANCHMSA-N 2 1 336.495 3.219 20 0 EGADMP C[C@@H](NCC[N@@H+](C)C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000133199127 454400980 /nfs/dbraw/zinc/40/09/80/454400980.db2.gz HTTFGCXRYFWVKY-QGZVFWFLSA-N 2 1 333.520 3.152 20 0 EGADMP C[C@@H]([NH2+]CCN(C)C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000133199127 454400985 /nfs/dbraw/zinc/40/09/85/454400985.db2.gz HTTFGCXRYFWVKY-QGZVFWFLSA-N 2 1 333.520 3.152 20 0 EGADMP COc1ccccc1[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CCCC1 ZINC000091306423 454424468 /nfs/dbraw/zinc/42/44/68/454424468.db2.gz RFHANKFUVAANRE-NRFANRHFSA-N 2 1 346.515 3.363 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000091306410 454424506 /nfs/dbraw/zinc/42/45/06/454424506.db2.gz UVBPBLMLDMZEDG-IAGOWNOFSA-N 2 1 344.421 3.449 20 0 EGADMP COc1ccc([C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C(C)C)cc1 ZINC000091333593 454427082 /nfs/dbraw/zinc/42/70/82/454427082.db2.gz QRYUNMPVKAIKEF-HXUWFJFHSA-N 2 1 333.520 3.010 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000121444945 454436276 /nfs/dbraw/zinc/43/62/76/454436276.db2.gz WOLANWJGZATAQM-SJORKVTESA-N 3 1 344.503 3.119 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000101516595 454470949 /nfs/dbraw/zinc/47/09/49/454470949.db2.gz LNKACQMDEVNEAC-IBGZPJMESA-N 2 1 331.504 3.133 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@H]2c2ccccc2)CC1 ZINC000079905147 454496685 /nfs/dbraw/zinc/49/66/85/454496685.db2.gz CGLUPTSUVYFBEU-FQEVSTJZSA-N 2 1 343.515 3.204 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2cccc(OC)c2)CC1 ZINC000048684245 454507540 /nfs/dbraw/zinc/50/75/40/454507540.db2.gz BBAQEWFMCIGUMH-UHFFFAOYSA-N 2 1 328.460 3.049 20 0 EGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]CC3CCCCC3)c2)C1 ZINC000122484141 454538395 /nfs/dbraw/zinc/53/83/95/454538395.db2.gz ARTIQGJNLTZELG-HXUWFJFHSA-N 2 1 343.515 3.054 20 0 EGADMP COc1cc[nH+]c(N2CCN(Cc3ccccc3OC(F)F)CC2)c1 ZINC000104717005 454597732 /nfs/dbraw/zinc/59/77/32/454597732.db2.gz HEYVZYDOTAHENH-UHFFFAOYSA-N 2 1 349.381 3.014 20 0 EGADMP CC[C@@H](C[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1)[NH+]1CCCC1 ZINC000123083222 454601258 /nfs/dbraw/zinc/60/12/58/454601258.db2.gz UTVXLKKJCFBBTN-CVEARBPZSA-N 2 1 341.499 3.498 20 0 EGADMP COc1ccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134939648 454614190 /nfs/dbraw/zinc/61/41/90/454614190.db2.gz BIGIPANUCLNFQE-OXQOHEQNSA-N 2 1 330.472 3.023 20 0 EGADMP COc1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134939648 454614194 /nfs/dbraw/zinc/61/41/94/454614194.db2.gz BIGIPANUCLNFQE-OXQOHEQNSA-N 2 1 330.472 3.023 20 0 EGADMP COc1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134939648 454614198 /nfs/dbraw/zinc/61/41/98/454614198.db2.gz BIGIPANUCLNFQE-OXQOHEQNSA-N 2 1 330.472 3.023 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)s1 ZINC000092740017 454622655 /nfs/dbraw/zinc/62/26/55/454622655.db2.gz DCKMSOFUHBSUAW-CABCVRRESA-N 2 1 339.549 3.413 20 0 EGADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000123412223 454634223 /nfs/dbraw/zinc/63/42/23/454634223.db2.gz HDTKSWRDINYZHS-UHFFFAOYSA-N 2 1 337.895 3.332 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cccc(OC3CCCC3)c2)CC1 ZINC000105476318 454641066 /nfs/dbraw/zinc/64/10/66/454641066.db2.gz UPQWZECYTWJYAX-UHFFFAOYSA-N 2 1 345.531 3.125 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2CSC)CC1 ZINC000093761360 454732970 /nfs/dbraw/zinc/73/29/70/454732970.db2.gz FIDYTFOHZVGBED-GOSISDBHSA-N 2 1 333.545 3.156 20 0 EGADMP C[C@H]1CC[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2ccccc21 ZINC000124488557 454739374 /nfs/dbraw/zinc/73/93/74/454739374.db2.gz XXPVMCGWWGOBJW-LAUBAEHRSA-N 2 1 329.532 3.488 20 0 EGADMP CC[NH+]1CCC([N@H+](C)CCCC(=O)Nc2c(C)cccc2C)CC1 ZINC000136391092 454740128 /nfs/dbraw/zinc/74/01/28/454740128.db2.gz IHUWKUJFJMJWEO-UHFFFAOYSA-N 2 1 331.504 3.438 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)CCCC(=O)Nc2c(C)cccc2C)CC1 ZINC000136391092 454740132 /nfs/dbraw/zinc/74/01/32/454740132.db2.gz IHUWKUJFJMJWEO-UHFFFAOYSA-N 2 1 331.504 3.438 20 0 EGADMP Fc1cccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1F ZINC000635009987 460651445 /nfs/dbraw/zinc/65/14/45/460651445.db2.gz PNRPNPHPDWKMCE-LPHOPBHVSA-N 2 1 330.378 3.310 20 0 EGADMP Fc1cccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1F ZINC000635009976 460652082 /nfs/dbraw/zinc/65/20/82/460652082.db2.gz PNRPNPHPDWKMCE-APWZRJJASA-N 2 1 330.378 3.310 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000176494845 454752130 /nfs/dbraw/zinc/75/21/30/454752130.db2.gz AAJLLDDSXIOQSM-CYBMUJFWSA-N 2 1 327.407 3.147 20 0 EGADMP Fc1ccc(C[N@H+]2CCCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000124803125 454771501 /nfs/dbraw/zinc/77/15/01/454771501.db2.gz ZCKNNEQHKMGKIT-UHFFFAOYSA-N 2 1 333.495 3.209 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000162647186 454789992 /nfs/dbraw/zinc/78/99/92/454789992.db2.gz DVHNCKXPKDNTRC-WWMYMODYSA-N 2 1 346.515 3.201 20 0 EGADMP CC1CC[NH+]([C@H](CN[C@H]2CC[N@@H+](C)C[C@@H]2C)c2cccs2)CC1 ZINC000153416489 454792257 /nfs/dbraw/zinc/79/22/57/454792257.db2.gz HRVJLMRXLGDZHG-OKZBNKHCSA-N 2 1 335.561 3.451 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cncs3)CC2)oc1C ZINC000162743033 454798384 /nfs/dbraw/zinc/79/83/84/454798384.db2.gz NTIISGCTGFCFIG-CYBMUJFWSA-N 2 1 334.489 3.311 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000182249668 455471989 /nfs/dbraw/zinc/47/19/89/455471989.db2.gz WYZBXEALIIMALV-NRFANRHFSA-N 2 1 332.532 3.424 20 0 EGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)c2)CCO1 ZINC000153497647 454800422 /nfs/dbraw/zinc/80/04/22/454800422.db2.gz PUMNGDHIWXCANM-QFBILLFUSA-N 2 1 346.515 3.343 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)c2)CCO1 ZINC000153497647 454800427 /nfs/dbraw/zinc/80/04/27/454800427.db2.gz PUMNGDHIWXCANM-QFBILLFUSA-N 2 1 346.515 3.343 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000125498177 454826434 /nfs/dbraw/zinc/82/64/34/454826434.db2.gz YXJOQRPLQKRXHR-QGZVFWFLSA-N 2 1 325.456 3.044 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000125498177 454826435 /nfs/dbraw/zinc/82/64/35/454826435.db2.gz YXJOQRPLQKRXHR-QGZVFWFLSA-N 2 1 325.456 3.044 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000635011841 460656010 /nfs/dbraw/zinc/65/60/10/460656010.db2.gz IAMFJGWPAKNXHB-UWHLTILDSA-N 2 1 327.516 3.080 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000635011841 460656013 /nfs/dbraw/zinc/65/60/13/460656013.db2.gz IAMFJGWPAKNXHB-UWHLTILDSA-N 2 1 327.516 3.080 20 0 EGADMP CCC(CC)(CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000111635212 454869862 /nfs/dbraw/zinc/86/98/62/454869862.db2.gz YQBSNKIHDZUDQE-WMZOPIPTSA-N 2 1 331.504 3.106 20 0 EGADMP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000126635018 454907299 /nfs/dbraw/zinc/90/72/99/454907299.db2.gz AHWLEFBLCTYBLK-HUUCEWRRSA-N 2 1 328.378 3.344 20 0 EGADMP CCCCNC(=O)c1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000177879424 454915783 /nfs/dbraw/zinc/91/57/83/454915783.db2.gz FORGEDNIDUNPLR-UHFFFAOYSA-N 2 1 331.504 3.179 20 0 EGADMP CC1CCC(Oc2cc(CN[C@@H]3CC[N@@H+](C)C[C@@H]3C)ccn2)CC1 ZINC000168147437 454924577 /nfs/dbraw/zinc/92/45/77/454924577.db2.gz IBWMRSBQFLDAEA-DHRZBBNESA-N 2 1 331.504 3.469 20 0 EGADMP CC1CCC(Oc2cc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)ccn2)CC1 ZINC000168147437 454924584 /nfs/dbraw/zinc/92/45/84/454924584.db2.gz IBWMRSBQFLDAEA-DHRZBBNESA-N 2 1 331.504 3.469 20 0 EGADMP CC1CCC(Oc2cc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)ccn2)CC1 ZINC000168147437 454924588 /nfs/dbraw/zinc/92/45/88/454924588.db2.gz IBWMRSBQFLDAEA-DHRZBBNESA-N 2 1 331.504 3.469 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CC4CCOCC4)CC[C@@H]32)cc1 ZINC000178650622 454966757 /nfs/dbraw/zinc/96/67/57/454966757.db2.gz JTRQPLGWNDKNJQ-RTWAWAEBSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CC4CCOCC4)CC[C@@H]32)cc1 ZINC000178650622 454966759 /nfs/dbraw/zinc/96/67/59/454966759.db2.gz JTRQPLGWNDKNJQ-RTWAWAEBSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CC4CCOCC4)CC[C@@H]32)cc1 ZINC000178650622 454966761 /nfs/dbraw/zinc/96/67/61/454966761.db2.gz JTRQPLGWNDKNJQ-RTWAWAEBSA-N 2 1 328.500 3.400 20 0 EGADMP CCCOc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000178779943 454976913 /nfs/dbraw/zinc/97/69/13/454976913.db2.gz KMIPYSHHIFSFGI-GOSISDBHSA-N 2 1 333.520 3.154 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000151661858 455013833 /nfs/dbraw/zinc/01/38/33/455013833.db2.gz UKBVKJZFFPSPOZ-HOTGVXAUSA-N 2 1 335.458 3.209 20 0 EGADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)N(C)C1CCCCC1 ZINC000116395985 455054856 /nfs/dbraw/zinc/05/48/56/455054856.db2.gz UFINSGHBLRMFAA-DOTOQJQBSA-N 2 1 325.541 3.122 20 0 EGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000623654747 460660773 /nfs/dbraw/zinc/66/07/73/460660773.db2.gz HZROCHIXKGMVRS-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000623654747 460660775 /nfs/dbraw/zinc/66/07/75/460660775.db2.gz HZROCHIXKGMVRS-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP Clc1ccccc1CN1CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000152408353 455114597 /nfs/dbraw/zinc/11/45/97/455114597.db2.gz BRCZUTVSEBOYTK-MRXNPFEDSA-N 2 1 347.934 3.378 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1cccc(OC)c1 ZINC000119039734 455121687 /nfs/dbraw/zinc/12/16/87/455121687.db2.gz MWRLAULIQMHGBW-ZCLUNYJNSA-N 2 1 347.547 3.396 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(OC)c1 ZINC000119033271 455121736 /nfs/dbraw/zinc/12/17/36/455121736.db2.gz OYOJPNWKEYSUGR-YVWKXTFCSA-N 2 1 333.520 3.150 20 0 EGADMP CCN(C(=O)CN(C)C[C@@H]1CCC[N@@H+](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000152476434 455123831 /nfs/dbraw/zinc/12/38/31/455123831.db2.gz KABXDXOSBQEWDD-DLBZAZTESA-N 2 1 349.494 3.009 20 0 EGADMP COc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000156646221 455141304 /nfs/dbraw/zinc/14/13/04/455141304.db2.gz YXFOXFIKUODBDI-DGQTTZFYSA-N 2 1 345.531 3.150 20 0 EGADMP COc1ccc([C@H](CN[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000156645979 455141523 /nfs/dbraw/zinc/14/15/23/455141523.db2.gz YXFOXFIKUODBDI-JYWFKMLOSA-N 2 1 345.531 3.150 20 0 EGADMP Cc1nn2c(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)c(C(C)C)nc2s1 ZINC000623657233 460664759 /nfs/dbraw/zinc/66/47/59/460664759.db2.gz LTXAQHRYHXSYCZ-CQSZACIVSA-N 2 1 335.521 3.044 20 0 EGADMP Cc1nn2c(C[NH2+]C[C@H]3CCCC[N@@H+](C)C3)c(C(C)C)nc2s1 ZINC000623657233 460664765 /nfs/dbraw/zinc/66/47/65/460664765.db2.gz LTXAQHRYHXSYCZ-CQSZACIVSA-N 2 1 335.521 3.044 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)s1 ZINC000180407022 455164863 /nfs/dbraw/zinc/16/48/63/455164863.db2.gz DJQMPNYDTKRFGT-CYBMUJFWSA-N 2 1 325.522 3.164 20 0 EGADMP Cc1csc(N2CCC([NH2+]CC[N@@H+](C)C3CCCCC3)CC2)n1 ZINC000157415398 455192309 /nfs/dbraw/zinc/19/23/09/455192309.db2.gz MRYRRJJXWMVCDP-UHFFFAOYSA-N 2 1 336.549 3.274 20 0 EGADMP Cc1csc(N2CCC([NH2+]CC[N@H+](C)C3CCCCC3)CC2)n1 ZINC000157415398 455192315 /nfs/dbraw/zinc/19/23/15/455192315.db2.gz MRYRRJJXWMVCDP-UHFFFAOYSA-N 2 1 336.549 3.274 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000237672064 455205539 /nfs/dbraw/zinc/20/55/39/455205539.db2.gz FYAKNWGOQIXSMD-LAUBAEHRSA-N 2 1 343.515 3.067 20 0 EGADMP C[N@H+]1CCCC[C@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000623657486 460666247 /nfs/dbraw/zinc/66/62/47/460666247.db2.gz ROZPDYIQKRQNBR-HXUWFJFHSA-N 2 1 329.532 3.015 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000245201699 455280058 /nfs/dbraw/zinc/28/00/58/455280058.db2.gz LTPNDMLAGPPHEP-ULQDDVLXSA-N 2 1 331.504 3.016 20 0 EGADMP CCCOc1ccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158808726 455330367 /nfs/dbraw/zinc/33/03/67/455330367.db2.gz YDBAQBMSQNDNBK-YLJYHZDGSA-N 2 1 332.488 3.270 20 0 EGADMP COC(=O)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000245607071 455339609 /nfs/dbraw/zinc/33/96/09/455339609.db2.gz AJUOTKDDSJZCLO-QFBILLFUSA-N 2 1 346.446 3.061 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000265915081 455404791 /nfs/dbraw/zinc/40/47/91/455404791.db2.gz AFJHOGNFGQRLPO-PXNSSMCTSA-N 2 1 345.531 3.331 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000265915081 455404795 /nfs/dbraw/zinc/40/47/95/455404795.db2.gz AFJHOGNFGQRLPO-PXNSSMCTSA-N 2 1 345.531 3.331 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000265915081 455404797 /nfs/dbraw/zinc/40/47/97/455404797.db2.gz AFJHOGNFGQRLPO-PXNSSMCTSA-N 2 1 345.531 3.331 20 0 EGADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000182087836 455433343 /nfs/dbraw/zinc/43/33/43/455433343.db2.gz HXQRZDNKXARFCY-HNAYVOBHSA-N 2 1 348.462 3.130 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000246365624 455477613 /nfs/dbraw/zinc/47/76/13/455477613.db2.gz IUWAJEPYHYGNIJ-MJXNMMHHSA-N 2 1 338.442 3.383 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1CN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247033856 455547701 /nfs/dbraw/zinc/54/77/01/455547701.db2.gz MJEDBDOVXAOAHP-ICSRJNTNSA-N 2 1 347.547 3.227 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247033856 455547705 /nfs/dbraw/zinc/54/77/05/455547705.db2.gz MJEDBDOVXAOAHP-ICSRJNTNSA-N 3 1 347.547 3.227 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247033856 455547709 /nfs/dbraw/zinc/54/77/09/455547709.db2.gz MJEDBDOVXAOAHP-ICSRJNTNSA-N 3 1 347.547 3.227 20 0 EGADMP C[NH+]1CCC([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000161523026 455578150 /nfs/dbraw/zinc/57/81/50/455578150.db2.gz GTFGMLLQLQETHX-UHFFFAOYSA-N 2 1 339.886 3.127 20 0 EGADMP CCc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185659503 455591136 /nfs/dbraw/zinc/59/11/36/455591136.db2.gz XTPPVIJFFBOVMV-WMZOPIPTSA-N 2 1 343.515 3.430 20 0 EGADMP CCc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185659503 455591139 /nfs/dbraw/zinc/59/11/39/455591139.db2.gz XTPPVIJFFBOVMV-WMZOPIPTSA-N 2 1 343.515 3.430 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000292206748 455595652 /nfs/dbraw/zinc/59/56/52/455595652.db2.gz YOBDRYRIGOYLLC-YLJYHZDGSA-N 2 1 343.515 3.067 20 0 EGADMP CCN(C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000185734873 455610207 /nfs/dbraw/zinc/61/02/07/455610207.db2.gz OOMJTIUDAPRKKW-ZWKOTPCHSA-N 2 1 343.515 3.282 20 0 EGADMP CCN(C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000185734873 455610212 /nfs/dbraw/zinc/61/02/12/455610212.db2.gz OOMJTIUDAPRKKW-ZWKOTPCHSA-N 2 1 343.515 3.282 20 0 EGADMP COc1cccc(OC)c1OC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000271359821 455611431 /nfs/dbraw/zinc/61/14/31/455611431.db2.gz ZUWILLMJAGYQBT-MRXNPFEDSA-N 2 1 348.487 3.031 20 0 EGADMP COc1cccc(OC)c1OC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000271359821 455611435 /nfs/dbraw/zinc/61/14/35/455611435.db2.gz ZUWILLMJAGYQBT-MRXNPFEDSA-N 2 1 348.487 3.031 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NCC1CCCCC1 ZINC000185758398 455615354 /nfs/dbraw/zinc/61/53/54/455615354.db2.gz ZFTPYOAAKFROEC-JENIJYKNSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)NCC1CCCCC1 ZINC000185758398 455615361 /nfs/dbraw/zinc/61/53/61/455615361.db2.gz ZFTPYOAAKFROEC-JENIJYKNSA-N 2 1 349.563 3.314 20 0 EGADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000283979662 455619336 /nfs/dbraw/zinc/61/93/36/455619336.db2.gz CQLOALDZODCCOX-RDJZCZTQSA-N 2 1 338.517 3.005 20 0 EGADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000283979662 455619339 /nfs/dbraw/zinc/61/93/39/455619339.db2.gz CQLOALDZODCCOX-RDJZCZTQSA-N 2 1 338.517 3.005 20 0 EGADMP COc1ccc(C)cc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000271482889 455654014 /nfs/dbraw/zinc/65/40/14/455654014.db2.gz JDXOWGWYJYADGT-ZYSHUDEJSA-N 2 1 332.488 3.032 20 0 EGADMP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000284485177 455694537 /nfs/dbraw/zinc/69/45/37/455694537.db2.gz YCVRNWHDVPATSD-FQEVSTJZSA-N 2 1 348.450 3.071 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268892344 455720847 /nfs/dbraw/zinc/72/08/47/455720847.db2.gz PGTBBJVXYGKSSV-MOPGFXCFSA-N 2 1 345.531 3.294 20 0 EGADMP Cc1ccc2cc(C[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)ccc2n1 ZINC000278029454 455737892 /nfs/dbraw/zinc/73/78/92/455737892.db2.gz WUVSIDQWOMECNL-QGZVFWFLSA-N 2 1 327.472 3.134 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268946396 455740340 /nfs/dbraw/zinc/74/03/40/455740340.db2.gz BFISVYRADYYDEF-PKOFMYQESA-N 2 1 328.500 3.443 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268946396 455740345 /nfs/dbraw/zinc/74/03/45/455740345.db2.gz BFISVYRADYYDEF-PKOFMYQESA-N 2 1 328.500 3.443 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000284846237 455751484 /nfs/dbraw/zinc/75/14/84/455751484.db2.gz RGRPDZAKIIHBTL-CVEARBPZSA-N 2 1 338.293 3.369 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000249935785 455784175 /nfs/dbraw/zinc/78/41/75/455784175.db2.gz SBXRRGGRMJAEBJ-QFBILLFUSA-N 2 1 335.923 3.155 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000285200277 455803688 /nfs/dbraw/zinc/80/36/88/455803688.db2.gz WOESMEHXGXIMSX-SFHVURJKSA-N 2 1 343.515 3.020 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000285200277 455803689 /nfs/dbraw/zinc/80/36/89/455803689.db2.gz WOESMEHXGXIMSX-SFHVURJKSA-N 2 1 343.515 3.020 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000285200277 455803690 /nfs/dbraw/zinc/80/36/90/455803690.db2.gz WOESMEHXGXIMSX-SFHVURJKSA-N 2 1 343.515 3.020 20 0 EGADMP C=Cn1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cn1 ZINC000194336209 455829969 /nfs/dbraw/zinc/82/99/69/455829969.db2.gz DRPJGMNOQULDFS-UHFFFAOYSA-N 2 1 336.439 3.498 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000261400087 455902766 /nfs/dbraw/zinc/90/27/66/455902766.db2.gz FSZYAHFQSINLQJ-SFTDATJTSA-N 2 1 326.484 3.466 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000261400087 455902771 /nfs/dbraw/zinc/90/27/71/455902771.db2.gz FSZYAHFQSINLQJ-SFTDATJTSA-N 2 1 326.484 3.466 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261844327 455958571 /nfs/dbraw/zinc/95/85/71/455958571.db2.gz ZAKNGGAYAXCIHU-QGZVFWFLSA-N 2 1 335.879 3.051 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)c1ccccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272464687 455959762 /nfs/dbraw/zinc/95/97/62/455959762.db2.gz KQIRMAZAHCNOFQ-MDKPJZGXSA-N 2 1 342.458 3.359 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272491092 455969338 /nfs/dbraw/zinc/96/93/38/455969338.db2.gz NAYHOFXEICRHSI-SCWSEQNSSA-N 2 1 342.458 3.359 20 0 EGADMP C[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000261939942 455974307 /nfs/dbraw/zinc/97/43/07/455974307.db2.gz DOCBTNUPTPIADK-ZBFHGGJFSA-N 2 1 339.277 3.204 20 0 EGADMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000261939942 455974312 /nfs/dbraw/zinc/97/43/12/455974312.db2.gz DOCBTNUPTPIADK-ZBFHGGJFSA-N 2 1 339.277 3.204 20 0 EGADMP CCOc1cc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000261956846 455977580 /nfs/dbraw/zinc/97/75/80/455977580.db2.gz XFFRNHGMBFULNG-CQSZACIVSA-N 2 1 328.403 3.118 20 0 EGADMP CCOc1cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000261956846 455977584 /nfs/dbraw/zinc/97/75/84/455977584.db2.gz XFFRNHGMBFULNG-CQSZACIVSA-N 2 1 328.403 3.118 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272535373 455986296 /nfs/dbraw/zinc/98/62/96/455986296.db2.gz REJKRUFLZMEVEV-NBHGPNQESA-N 2 1 342.458 3.359 20 0 EGADMP COCc1cccc(OCC2(C[NH2+][C@@](C)(C[NH3+])C(C)C)CCC2)c1 ZINC000262129379 456002267 /nfs/dbraw/zinc/00/22/67/456002267.db2.gz NOCAFNWHHSRRDA-IBGZPJMESA-N 2 1 334.504 3.345 20 0 EGADMP CO[C@]1(C)CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000280571410 456002814 /nfs/dbraw/zinc/00/28/14/456002814.db2.gz LTXWKJPTCKEYPH-OAQYLSRUSA-N 2 1 345.531 3.218 20 0 EGADMP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000262147985 456004659 /nfs/dbraw/zinc/00/46/59/456004659.db2.gz QSCVHLOKWGODSO-FVJLSDCUSA-N 2 1 345.531 3.298 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000270682000 456014198 /nfs/dbraw/zinc/01/41/98/456014198.db2.gz UVOFEFIZKCMIOP-OALUTQOASA-N 2 1 331.435 3.309 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000270682000 456014203 /nfs/dbraw/zinc/01/42/03/456014203.db2.gz UVOFEFIZKCMIOP-OALUTQOASA-N 2 1 331.435 3.309 20 0 EGADMP C[NH+](C)CCC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000272705611 456046298 /nfs/dbraw/zinc/04/62/98/456046298.db2.gz VXYRTYJPIZVRCU-SJORKVTESA-N 2 1 333.476 3.239 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)CC[N@H+]1C ZINC000280917150 456081719 /nfs/dbraw/zinc/08/17/19/456081719.db2.gz GYWCWQBWWZMRIQ-HIFRSBDPSA-N 2 1 330.394 3.243 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)cc1)C(C)C ZINC000272961772 456126107 /nfs/dbraw/zinc/12/61/07/456126107.db2.gz NPSZFEDSKXSTDK-KRWDZBQOSA-N 2 1 343.515 3.297 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1)C(C)C ZINC000272961772 456126112 /nfs/dbraw/zinc/12/61/12/456126112.db2.gz NPSZFEDSKXSTDK-KRWDZBQOSA-N 2 1 343.515 3.297 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1)C(C)C ZINC000272961772 456126115 /nfs/dbraw/zinc/12/61/15/456126115.db2.gz NPSZFEDSKXSTDK-KRWDZBQOSA-N 2 1 343.515 3.297 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1)C(C)C ZINC000272990481 456136354 /nfs/dbraw/zinc/13/63/54/456136354.db2.gz KPTSRGUSDYTTQT-FQEVSTJZSA-N 2 1 331.504 3.036 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCCCOC)c2)C1 ZINC000271167915 456151768 /nfs/dbraw/zinc/15/17/68/456151768.db2.gz CJUDFDQRVBXNRG-IBGZPJMESA-N 2 1 334.504 3.266 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCCCOC)c2)C1 ZINC000271167915 456151775 /nfs/dbraw/zinc/15/17/75/456151775.db2.gz CJUDFDQRVBXNRG-IBGZPJMESA-N 2 1 334.504 3.266 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000271167915 456151778 /nfs/dbraw/zinc/15/17/78/456151778.db2.gz CJUDFDQRVBXNRG-IBGZPJMESA-N 2 1 334.504 3.266 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000271167915 456151786 /nfs/dbraw/zinc/15/17/86/456151786.db2.gz CJUDFDQRVBXNRG-IBGZPJMESA-N 2 1 334.504 3.266 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000271179049 456155857 /nfs/dbraw/zinc/15/58/57/456155857.db2.gz IUFFRRYBKXOGHA-LJQANCHMSA-N 2 1 334.504 3.266 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000271179049 456155860 /nfs/dbraw/zinc/15/58/60/456155860.db2.gz IUFFRRYBKXOGHA-LJQANCHMSA-N 2 1 334.504 3.266 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000271187678 456160876 /nfs/dbraw/zinc/16/08/76/456160876.db2.gz KIUXZNANRCHEIQ-HDICACEKSA-N 2 1 340.515 3.158 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000236708622 456172423 /nfs/dbraw/zinc/17/24/23/456172423.db2.gz FKSVUTXXQHVAHH-FQEVSTJZSA-N 2 1 345.531 3.437 20 0 EGADMP CC(C)(C)c1nc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cs1 ZINC000333180002 456173970 /nfs/dbraw/zinc/17/39/70/456173970.db2.gz RSHPTKOLSPWPCT-JKSUJKDBSA-N 2 1 337.533 3.159 20 0 EGADMP CC[NH+]1CCC([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000236917660 456201278 /nfs/dbraw/zinc/20/12/78/456201278.db2.gz OIVFIUZVAULLPM-UHFFFAOYSA-N 2 1 335.923 3.378 20 0 EGADMP c1csc(C[NH+]2CCC(CNc3[nH+]cnc4[nH]ccc43)CC2)c1 ZINC000263803888 456227978 /nfs/dbraw/zinc/22/79/78/456227978.db2.gz RDKJXRZUUPLZQU-UHFFFAOYSA-N 2 1 327.457 3.344 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189150496 456240502 /nfs/dbraw/zinc/24/05/02/456240502.db2.gz RNUHIQCEPIPLRQ-SFHVURJKSA-N 2 1 344.478 3.281 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189150496 456240509 /nfs/dbraw/zinc/24/05/09/456240509.db2.gz RNUHIQCEPIPLRQ-SFHVURJKSA-N 2 1 344.478 3.281 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(COCCOC)cc2)C1 ZINC000290148852 456252612 /nfs/dbraw/zinc/25/26/12/456252612.db2.gz WLBLZUUFEMJCEE-HXUWFJFHSA-N 2 1 334.504 3.013 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(COCCOC)cc2)C1 ZINC000290148852 456252615 /nfs/dbraw/zinc/25/26/15/456252615.db2.gz WLBLZUUFEMJCEE-HXUWFJFHSA-N 2 1 334.504 3.013 20 0 EGADMP c1ccc2c(c1)CC1(CCOCC1)[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000290233483 456272084 /nfs/dbraw/zinc/27/20/84/456272084.db2.gz RXRQDFIPSKNGOA-WSTZPKSXSA-N 2 1 326.484 3.297 20 0 EGADMP CCc1c(C)[nH+]c2ccccc2c1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000302035080 456273402 /nfs/dbraw/zinc/27/34/02/456273402.db2.gz LPPAPOJLPJMESA-INIZCTEOSA-N 2 1 325.456 3.381 20 0 EGADMP CCc1c(C)[nH+]c2ccccc2c1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000302035080 456273406 /nfs/dbraw/zinc/27/34/06/456273406.db2.gz LPPAPOJLPJMESA-INIZCTEOSA-N 2 1 325.456 3.381 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1(C)C ZINC000290266295 456276721 /nfs/dbraw/zinc/27/67/21/456276721.db2.gz LDBGBGBWIBSFAZ-LJQANCHMSA-N 2 1 340.515 3.161 20 0 EGADMP COc1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000275566798 456277004 /nfs/dbraw/zinc/27/70/04/456277004.db2.gz GBVWMQTYWRLZAV-LJQANCHMSA-N 2 1 325.456 3.235 20 0 EGADMP COc1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000275566798 456277008 /nfs/dbraw/zinc/27/70/08/456277008.db2.gz GBVWMQTYWRLZAV-LJQANCHMSA-N 2 1 325.456 3.235 20 0 EGADMP C[C@@H](CCNCc1ncc(C[NH+](C)C)s1)[N@H+](C)Cc1ccccc1 ZINC000352761557 456284059 /nfs/dbraw/zinc/28/40/59/456284059.db2.gz YEQTUNZALBTACU-INIZCTEOSA-N 2 1 346.544 3.205 20 0 EGADMP C[C@@H](CCNCc1ncc(C[NH+](C)C)s1)[N@@H+](C)Cc1ccccc1 ZINC000352761557 456284063 /nfs/dbraw/zinc/28/40/63/456284063.db2.gz YEQTUNZALBTACU-INIZCTEOSA-N 2 1 346.544 3.205 20 0 EGADMP C[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)COCc1ccccc1 ZINC000352764052 456285417 /nfs/dbraw/zinc/28/54/17/456285417.db2.gz AFBUOJMOWPKOHJ-HNNXBMFYSA-N 2 1 333.501 3.147 20 0 EGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000302100947 456287974 /nfs/dbraw/zinc/28/79/74/456287974.db2.gz LVORXVACANBXBF-DLBZAZTESA-N 2 1 341.540 3.103 20 0 EGADMP CC(C)[N@H+](C)Cc1ccccc1CNCc1ncc(C[NH+](C)C)s1 ZINC000352770897 456291915 /nfs/dbraw/zinc/29/19/15/456291915.db2.gz MICLQHJZUVNRRQ-UHFFFAOYSA-N 2 1 346.544 3.335 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNCc1ncc(C[NH+](C)C)s1 ZINC000352770897 456291918 /nfs/dbraw/zinc/29/19/18/456291918.db2.gz MICLQHJZUVNRRQ-UHFFFAOYSA-N 2 1 346.544 3.335 20 0 EGADMP CCc1cc(N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC000302121984 456293000 /nfs/dbraw/zinc/29/30/00/456293000.db2.gz YILGYFYTOVXXGA-HZPDHXFCSA-N 2 1 346.519 3.063 20 0 EGADMP CCN(CC)C(=O)CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340184271 456297644 /nfs/dbraw/zinc/29/76/44/456297644.db2.gz KAEWCJFIVZKBAU-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCN(CC)C(=O)CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340184271 456297651 /nfs/dbraw/zinc/29/76/51/456297651.db2.gz KAEWCJFIVZKBAU-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1OC(F)F ZINC000290380002 456310045 /nfs/dbraw/zinc/31/00/45/456310045.db2.gz IBIGEALFMVSOPX-CABCVRRESA-N 2 1 340.414 3.213 20 0 EGADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1OC(F)F ZINC000290380002 456310054 /nfs/dbraw/zinc/31/00/54/456310054.db2.gz IBIGEALFMVSOPX-CABCVRRESA-N 2 1 340.414 3.213 20 0 EGADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1OC(F)F ZINC000290380002 456310063 /nfs/dbraw/zinc/31/00/63/456310063.db2.gz IBIGEALFMVSOPX-CABCVRRESA-N 2 1 340.414 3.213 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@H]4CCCOC4)CC[C@H]32)cc1 ZINC000342924130 456317192 /nfs/dbraw/zinc/31/71/92/456317192.db2.gz CVFWBXNFRGIYGP-NJDAHSKKSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@H]4CCCOC4)CC[C@H]32)cc1 ZINC000342924130 456317197 /nfs/dbraw/zinc/31/71/97/456317197.db2.gz CVFWBXNFRGIYGP-NJDAHSKKSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@H]4CCCOC4)CC[C@H]32)cc1 ZINC000342924130 456317203 /nfs/dbraw/zinc/31/72/03/456317203.db2.gz CVFWBXNFRGIYGP-NJDAHSKKSA-N 2 1 328.500 3.400 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)CC[C@@H]2c2ccccc2)CC1 ZINC000352800808 456319987 /nfs/dbraw/zinc/31/99/87/456319987.db2.gz PZGOZUTWMVMLSV-YLJYHZDGSA-N 2 1 343.515 3.060 20 0 EGADMP c1cn2c(cccc2C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)n1 ZINC000290407551 456319965 /nfs/dbraw/zinc/31/99/65/456319965.db2.gz JWNZCRDSDHNVDP-INIZCTEOSA-N 2 1 331.423 3.349 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CCn2cncn2)c2ccc(C)cc2)C1 ZINC000275815853 456321462 /nfs/dbraw/zinc/32/14/62/456321462.db2.gz FQOGYKSILQMGAR-UYAOXDASSA-N 2 1 341.503 3.039 20 0 EGADMP CSc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000352809238 456328077 /nfs/dbraw/zinc/32/80/77/456328077.db2.gz GMBDUMRIRVXKRV-ZDUSSCGKSA-N 2 1 326.531 3.061 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000290440874 456330478 /nfs/dbraw/zinc/33/04/78/456330478.db2.gz RIEQABMELYMHSL-MRXNPFEDSA-N 2 1 334.508 3.033 20 0 EGADMP CC[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000347749136 456348497 /nfs/dbraw/zinc/34/84/97/456348497.db2.gz ABBMNZALYGPYJI-UXHICEINSA-N 2 1 345.531 3.087 20 0 EGADMP CSc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)s1 ZINC000352837132 456351415 /nfs/dbraw/zinc/35/14/15/456351415.db2.gz NWGPFELLTPGITA-UHFFFAOYSA-N 2 1 328.547 3.449 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000290574120 456369392 /nfs/dbraw/zinc/36/93/92/456369392.db2.gz TZMIDCWDHLOASV-UHFFFAOYSA-N 2 1 327.350 3.454 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000290574120 456369398 /nfs/dbraw/zinc/36/93/98/456369398.db2.gz TZMIDCWDHLOASV-UHFFFAOYSA-N 2 1 327.350 3.454 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000337546476 456370698 /nfs/dbraw/zinc/37/06/98/456370698.db2.gz OPNYZMYBGVDVAQ-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000337546476 456370704 /nfs/dbraw/zinc/37/07/04/456370704.db2.gz OPNYZMYBGVDVAQ-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000337546475 456371529 /nfs/dbraw/zinc/37/15/29/456371529.db2.gz OPNYZMYBGVDVAQ-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000337546475 456371533 /nfs/dbraw/zinc/37/15/33/456371533.db2.gz OPNYZMYBGVDVAQ-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@H]1C[N@H+](CC)C[C@@H]1C)c1cccc(OC)c1 ZINC000343051766 456373061 /nfs/dbraw/zinc/37/30/61/456373061.db2.gz SDLRLNPYXPGHAV-FFZOFVMBSA-N 2 1 333.520 3.008 20 0 EGADMP CC[NH+](CC)[C@H](CN[C@H]1C[N@@H+](CC)C[C@@H]1C)c1cccc(OC)c1 ZINC000343051766 456373070 /nfs/dbraw/zinc/37/30/70/456373070.db2.gz SDLRLNPYXPGHAV-FFZOFVMBSA-N 2 1 333.520 3.008 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OC(F)F ZINC000290632565 456388347 /nfs/dbraw/zinc/38/83/47/456388347.db2.gz YBTXYQDNOCVGLT-HUUCEWRRSA-N 2 1 340.414 3.213 20 0 EGADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1OC(F)F ZINC000290632565 456388351 /nfs/dbraw/zinc/38/83/51/456388351.db2.gz YBTXYQDNOCVGLT-HUUCEWRRSA-N 2 1 340.414 3.213 20 0 EGADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1OC(F)F ZINC000290632565 456388353 /nfs/dbraw/zinc/38/83/53/456388353.db2.gz YBTXYQDNOCVGLT-HUUCEWRRSA-N 2 1 340.414 3.213 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000340350026 456406543 /nfs/dbraw/zinc/40/65/43/456406543.db2.gz KUYSLCWUGSEWKG-WOJBJXKFSA-N 2 1 328.500 3.456 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000340366755 456415603 /nfs/dbraw/zinc/41/56/03/456415603.db2.gz GYLGNBFHVREIEG-UHFFFAOYSA-N 2 1 327.472 3.338 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CCOCC(F)(F)C(F)F)C[C@@H]1c1ccccc1 ZINC000340373059 456419992 /nfs/dbraw/zinc/41/99/92/456419992.db2.gz SQWULFPLXLQKEK-LSDHHAIUSA-N 2 1 348.384 3.329 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CCOCC(F)(F)C(F)F)C[C@@H]1c1ccccc1 ZINC000340373059 456420000 /nfs/dbraw/zinc/42/00/00/456420000.db2.gz SQWULFPLXLQKEK-LSDHHAIUSA-N 2 1 348.384 3.329 20 0 EGADMP CSC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000340398401 456436645 /nfs/dbraw/zinc/43/66/45/456436645.db2.gz ZWUGSHABVBNYNJ-RTBURBONSA-N 3 1 347.572 3.239 20 0 EGADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000340398401 456436654 /nfs/dbraw/zinc/43/66/54/456436654.db2.gz ZWUGSHABVBNYNJ-RTBURBONSA-N 3 1 347.572 3.239 20 0 EGADMP c1sc(CCC[NH2+]C2CC[NH+](C3CC3)CC2)nc1-c1ccncc1 ZINC000298463540 456464474 /nfs/dbraw/zinc/46/44/74/456464474.db2.gz OOLCPFJCJDXVBS-UHFFFAOYSA-N 2 1 342.512 3.354 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc(-n2ccnn2)c1 ZINC000348087511 456468961 /nfs/dbraw/zinc/46/89/61/456468961.db2.gz PHQGWSRGNYXUNT-SJORKVTESA-N 2 1 327.476 3.182 20 0 EGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298603501 456499798 /nfs/dbraw/zinc/49/97/98/456499798.db2.gz ZJJURENPNZCFRZ-FGTMMUONSA-N 3 1 330.520 3.006 20 0 EGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298603501 456499804 /nfs/dbraw/zinc/49/98/04/456499804.db2.gz ZJJURENPNZCFRZ-FGTMMUONSA-N 3 1 330.520 3.006 20 0 EGADMP C[N@@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353155112 456527566 /nfs/dbraw/zinc/52/75/66/456527566.db2.gz ODHVRVMXGKPYMZ-VHRCFOOQSA-N 2 1 344.499 3.301 20 0 EGADMP C[NH+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353155112 456527571 /nfs/dbraw/zinc/52/75/71/456527571.db2.gz ODHVRVMXGKPYMZ-VHRCFOOQSA-N 2 1 344.499 3.301 20 0 EGADMP C[NH+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353155112 456527576 /nfs/dbraw/zinc/52/75/76/456527576.db2.gz ODHVRVMXGKPYMZ-VHRCFOOQSA-N 2 1 344.499 3.301 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1(C)C ZINC000282498953 456533025 /nfs/dbraw/zinc/53/30/25/456533025.db2.gz YAELPRAJJNNSMI-MOPGFXCFSA-N 2 1 333.495 3.077 20 0 EGADMP C[N@H+]1CCN(CC[NH2+]C2CC(c3ccc(Cl)cc3)C2)CC1(C)C ZINC000282503849 456535365 /nfs/dbraw/zinc/53/53/65/456535365.db2.gz YIKJJLUYTYOGNK-UHFFFAOYSA-N 2 1 335.923 3.202 20 0 EGADMP CC(C)(C[NH2+]Cc1cncc(Br)c1)C[NH+]1CCCC1 ZINC000276682307 456550551 /nfs/dbraw/zinc/55/05/51/456550551.db2.gz HYNBWUKROSMNJW-UHFFFAOYSA-N 2 1 326.282 3.056 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000309796186 456577202 /nfs/dbraw/zinc/57/72/02/456577202.db2.gz ITBUULXAEMPIBE-HZPDHXFCSA-N 2 1 327.513 3.094 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000309796186 456577210 /nfs/dbraw/zinc/57/72/10/456577210.db2.gz ITBUULXAEMPIBE-HZPDHXFCSA-N 2 1 327.513 3.094 20 0 EGADMP CC(C)n1cncc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310156039 456580482 /nfs/dbraw/zinc/58/04/82/456580482.db2.gz HDGFWPRLPJWCFO-IBGZPJMESA-N 2 1 326.488 3.466 20 0 EGADMP CC(C)n1cncc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310156039 456580486 /nfs/dbraw/zinc/58/04/86/456580486.db2.gz HDGFWPRLPJWCFO-IBGZPJMESA-N 2 1 326.488 3.466 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCC4CCOCC4)C[C@@H]3C2)cc1 ZINC000310358791 456581991 /nfs/dbraw/zinc/58/19/91/456581991.db2.gz SSMVEVJKNIKBBJ-RTWAWAEBSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCC4CCOCC4)C[C@@H]3C2)cc1 ZINC000310358791 456581993 /nfs/dbraw/zinc/58/19/93/456581993.db2.gz SSMVEVJKNIKBBJ-RTWAWAEBSA-N 2 1 328.500 3.257 20 0 EGADMP Clc1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000315257075 456605980 /nfs/dbraw/zinc/60/59/80/456605980.db2.gz SOCTWUOWGQXUML-BETUJISGSA-N 2 1 329.271 3.304 20 0 EGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000320242402 456627266 /nfs/dbraw/zinc/62/72/66/456627266.db2.gz OEEDTASWQKRSGO-AWEZNQCLSA-N 2 1 338.879 3.321 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000320242402 456627272 /nfs/dbraw/zinc/62/72/72/456627272.db2.gz OEEDTASWQKRSGO-AWEZNQCLSA-N 2 1 338.879 3.321 20 0 EGADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000353312568 456630486 /nfs/dbraw/zinc/63/04/86/456630486.db2.gz IZMKNVNUHJZVDS-OXQOHEQNSA-N 2 1 346.515 3.100 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OC(F)F ZINC000321196601 456635745 /nfs/dbraw/zinc/63/57/45/456635745.db2.gz WTVHXYSNALWPQM-CQSZACIVSA-N 2 1 328.403 3.117 20 0 EGADMP Cn1cc(-c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)s2)cn1 ZINC000282836380 456640547 /nfs/dbraw/zinc/64/05/47/456640547.db2.gz RDKVLCPRFFCKHR-MRXNPFEDSA-N 2 1 344.528 3.456 20 0 EGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)s2)cn1 ZINC000282836380 456640551 /nfs/dbraw/zinc/64/05/51/456640551.db2.gz RDKVLCPRFFCKHR-MRXNPFEDSA-N 2 1 344.528 3.456 20 0 EGADMP C[N@@H+](Cc1ccc(F)c(-c2cccs2)c1)C1CCN(CCO)CC1 ZINC000353360848 456645597 /nfs/dbraw/zinc/64/55/97/456645597.db2.gz MSNFOKNVZJQDNI-UHFFFAOYSA-N 2 1 348.487 3.443 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000340818928 456702483 /nfs/dbraw/zinc/70/24/83/456702483.db2.gz HZMWADQCOQEDFX-MOPGFXCFSA-N 2 1 337.552 3.362 20 0 EGADMP COC(=O)C1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000277206631 456723944 /nfs/dbraw/zinc/72/39/44/456723944.db2.gz KKDJXZRVSJZOHB-WQUXRXDGSA-N 2 1 344.499 3.218 20 0 EGADMP COC(=O)C1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000277206631 456723951 /nfs/dbraw/zinc/72/39/51/456723951.db2.gz KKDJXZRVSJZOHB-WQUXRXDGSA-N 2 1 344.499 3.218 20 0 EGADMP Cc1ccc2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)ccc(O)c2n1 ZINC000338276226 456744233 /nfs/dbraw/zinc/74/42/33/456744233.db2.gz CJPUOLMFVKPUCA-SJLPKXTDSA-N 2 1 325.456 3.165 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)ccc(O)c2n1 ZINC000338276226 456744235 /nfs/dbraw/zinc/74/42/35/456744235.db2.gz CJPUOLMFVKPUCA-SJLPKXTDSA-N 2 1 325.456 3.165 20 0 EGADMP Cc1ccc2c(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)ccc(O)c2n1 ZINC000338276226 456744239 /nfs/dbraw/zinc/74/42/39/456744239.db2.gz CJPUOLMFVKPUCA-SJLPKXTDSA-N 2 1 325.456 3.165 20 0 EGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1O ZINC000277336287 456783342 /nfs/dbraw/zinc/78/33/42/456783342.db2.gz XUFOTNAVRWLEIC-GJZGRUSLSA-N 2 1 331.460 3.153 20 0 EGADMP CC(C)[C@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C ZINC000348671521 456808916 /nfs/dbraw/zinc/80/89/16/456808916.db2.gz XKGBSLYSKUCZML-FXAWDEMLSA-N 2 1 345.531 3.263 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000291996921 456823660 /nfs/dbraw/zinc/82/36/60/456823660.db2.gz ALNOZCWMYYLIHJ-QFBILLFUSA-N 2 1 331.435 3.478 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000292024771 456833990 /nfs/dbraw/zinc/83/39/90/456833990.db2.gz YNHQGUVOPAWHFP-LEWJYISDSA-N 2 1 330.516 3.178 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000292024771 456833996 /nfs/dbraw/zinc/83/39/96/456833996.db2.gz YNHQGUVOPAWHFP-LEWJYISDSA-N 2 1 330.516 3.178 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000292024771 456834001 /nfs/dbraw/zinc/83/40/01/456834001.db2.gz YNHQGUVOPAWHFP-LEWJYISDSA-N 2 1 330.516 3.178 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2-n2cncn2)C[C@H]1C ZINC000353658485 456837531 /nfs/dbraw/zinc/83/75/31/456837531.db2.gz JMCUDWQFUPANQK-RHSMWYFYSA-N 2 1 347.894 3.225 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2-n2cncn2)C[C@H]1C ZINC000353658485 456837538 /nfs/dbraw/zinc/83/75/38/456837538.db2.gz JMCUDWQFUPANQK-RHSMWYFYSA-N 2 1 347.894 3.225 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2-n2cncn2)C[C@H]1C ZINC000353658485 456837543 /nfs/dbraw/zinc/83/75/43/456837543.db2.gz JMCUDWQFUPANQK-RHSMWYFYSA-N 2 1 347.894 3.225 20 0 EGADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCOc3ccccc3C(F)(F)F)C2)C1 ZINC000292052253 456841630 /nfs/dbraw/zinc/84/16/30/456841630.db2.gz BRUXNPGRBZTROG-MRXNPFEDSA-N 2 1 328.378 3.112 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCOc3ccccc3C(F)(F)F)C2)C1 ZINC000292052253 456841634 /nfs/dbraw/zinc/84/16/34/456841634.db2.gz BRUXNPGRBZTROG-MRXNPFEDSA-N 2 1 328.378 3.112 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCOc3ccccc3C(F)(F)F)C2)C1 ZINC000292052253 456841639 /nfs/dbraw/zinc/84/16/39/456841639.db2.gz BRUXNPGRBZTROG-MRXNPFEDSA-N 2 1 328.378 3.112 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCOc3ccccc3C(F)(F)F)C2)C1 ZINC000292052253 456841645 /nfs/dbraw/zinc/84/16/45/456841645.db2.gz BRUXNPGRBZTROG-MRXNPFEDSA-N 2 1 328.378 3.112 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccccc2Cl)CC[N@H+]1C ZINC000344635433 456843350 /nfs/dbraw/zinc/84/33/50/456843350.db2.gz TUCSLOYINCWCRH-DZGCQCFKSA-N 2 1 332.879 3.313 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCn3ccnc3C2)CC1 ZINC000353671836 456845872 /nfs/dbraw/zinc/84/58/72/456845872.db2.gz OQEPURJUHKHACY-IOJLRTSASA-N 2 1 338.499 3.231 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)CC[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000292108775 456857204 /nfs/dbraw/zinc/85/72/04/456857204.db2.gz PEVFJXIDGONNMR-YZGWKJHDSA-N 2 1 343.515 3.030 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1C ZINC000338948981 456869630 /nfs/dbraw/zinc/86/96/30/456869630.db2.gz PYYMBHQMJYAPTG-HOCLYGCPSA-N 2 1 332.517 3.453 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1C ZINC000338948981 456869633 /nfs/dbraw/zinc/86/96/33/456869633.db2.gz PYYMBHQMJYAPTG-HOCLYGCPSA-N 2 1 332.517 3.453 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1C ZINC000338948981 456869641 /nfs/dbraw/zinc/86/96/41/456869641.db2.gz PYYMBHQMJYAPTG-HOCLYGCPSA-N 2 1 332.517 3.453 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1C ZINC000338948981 456869644 /nfs/dbraw/zinc/86/96/44/456869644.db2.gz PYYMBHQMJYAPTG-HOCLYGCPSA-N 2 1 332.517 3.453 20 0 EGADMP FC(F)(F)COc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339069114 456926229 /nfs/dbraw/zinc/92/62/29/456926229.db2.gz RCNYNWQJBPCMOO-CABCVRRESA-N 2 1 328.378 3.344 20 0 EGADMP FC(F)(F)COc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339069114 456926233 /nfs/dbraw/zinc/92/62/33/456926233.db2.gz RCNYNWQJBPCMOO-CABCVRRESA-N 2 1 328.378 3.344 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2cccc(C)n2)[C@H](C)C1 ZINC000353864822 456941933 /nfs/dbraw/zinc/94/19/33/456941933.db2.gz JXGZOWJNYZWKMV-XLIONFOSSA-N 2 1 333.520 3.049 20 0 EGADMP CC[N@@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000345206306 456967943 /nfs/dbraw/zinc/96/79/43/456967943.db2.gz PEVHIGZWLNZSIE-ICSRJNTNSA-N 2 1 332.488 3.208 20 0 EGADMP CCC[N@@H+](CC)CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000353953015 456977720 /nfs/dbraw/zinc/97/77/20/456977720.db2.gz XLCNNPGTDIKFCD-HKUYNNGSSA-N 2 1 348.535 3.017 20 0 EGADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C)c1ccccc1 ZINC000341890713 456988324 /nfs/dbraw/zinc/98/83/24/456988324.db2.gz QFMSBJWOWYSDJT-IZZBFERCSA-N 3 1 347.547 3.014 20 0 EGADMP COCC[NH+](C)CC[C@H](N[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000341890713 456988326 /nfs/dbraw/zinc/98/83/26/456988326.db2.gz QFMSBJWOWYSDJT-IZZBFERCSA-N 3 1 347.547 3.014 20 0 EGADMP COCC[NH+](C)CC[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000341890713 456988329 /nfs/dbraw/zinc/98/83/29/456988329.db2.gz QFMSBJWOWYSDJT-IZZBFERCSA-N 3 1 347.547 3.014 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000341896501 456990771 /nfs/dbraw/zinc/99/07/71/456990771.db2.gz OCBISVHBNQIFQJ-INIZCTEOSA-N 2 1 345.409 3.033 20 0 EGADMP COc1ccc(F)c(C[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)c1 ZINC000339278173 457035394 /nfs/dbraw/zinc/03/53/94/457035394.db2.gz XTXZQVQCJSSNCU-UHFFFAOYSA-N 2 1 329.419 3.296 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(C)CCC(OC)CC2)[C@H](C)C1 ZINC000359007336 457047232 /nfs/dbraw/zinc/04/72/32/457047232.db2.gz ZTBQBWNYLFRPPP-SOAISFHBSA-N 2 1 340.552 3.308 20 0 EGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000359206381 457063562 /nfs/dbraw/zinc/06/35/62/457063562.db2.gz HOPCPLJVNACOPX-SJORKVTESA-N 2 1 343.298 3.273 20 0 EGADMP CC[C@H](C(=O)NCCC[NH+]1CCCC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000339358976 457066799 /nfs/dbraw/zinc/06/67/99/457066799.db2.gz BJWLHZCYSRRODM-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP CC[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000339358976 457066804 /nfs/dbraw/zinc/06/68/04/457066804.db2.gz BJWLHZCYSRRODM-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP CC[C@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000339358976 457066809 /nfs/dbraw/zinc/06/68/09/457066809.db2.gz BJWLHZCYSRRODM-AZUAARDMSA-N 2 1 345.531 3.278 20 0 EGADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000356599354 457076935 /nfs/dbraw/zinc/07/69/35/457076935.db2.gz PAVMEYZBEZIEEF-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000356599354 457076941 /nfs/dbraw/zinc/07/69/41/457076941.db2.gz PAVMEYZBEZIEEF-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000356599354 457076947 /nfs/dbraw/zinc/07/69/47/457076947.db2.gz PAVMEYZBEZIEEF-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000356599354 457076954 /nfs/dbraw/zinc/07/69/54/457076954.db2.gz PAVMEYZBEZIEEF-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000354183238 457116297 /nfs/dbraw/zinc/11/62/97/457116297.db2.gz YNLZDRSPVXGMGK-YYWHXJBOSA-N 2 1 346.515 3.202 20 0 EGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000354183238 457116302 /nfs/dbraw/zinc/11/63/02/457116302.db2.gz YNLZDRSPVXGMGK-YYWHXJBOSA-N 2 1 346.515 3.202 20 0 EGADMP COc1cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1OC(F)F ZINC000339437301 457118498 /nfs/dbraw/zinc/11/84/98/457118498.db2.gz MYHXIKMUBGQDPS-SFHVURJKSA-N 2 1 340.414 3.214 20 0 EGADMP C(CC[N@H+]1CCCO[C@H]2CCC[C@H]21)C[NH+]1CCCO[C@@H]2CCC[C@H]21 ZINC000359866527 457136580 /nfs/dbraw/zinc/13/65/80/457136580.db2.gz IFBXPPGHDLXSJB-WTGUMLROSA-N 2 1 336.520 3.053 20 0 EGADMP C(CC[N@@H+]1CCCO[C@@H]2CCC[C@H]21)C[NH+]1CCCO[C@H]2CCC[C@H]21 ZINC000359866527 457136584 /nfs/dbraw/zinc/13/65/84/457136584.db2.gz IFBXPPGHDLXSJB-WTGUMLROSA-N 2 1 336.520 3.053 20 0 EGADMP C(CC[N@H+]1CCCO[C@@H]2CCC[C@H]21)C[NH+]1CCCO[C@H]2CCC[C@H]21 ZINC000359866527 457136589 /nfs/dbraw/zinc/13/65/89/457136589.db2.gz IFBXPPGHDLXSJB-WTGUMLROSA-N 2 1 336.520 3.053 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000359950763 457166585 /nfs/dbraw/zinc/16/65/85/457166585.db2.gz UVOIKXJJYQNXIC-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000359950763 457166592 /nfs/dbraw/zinc/16/65/92/457166592.db2.gz UVOIKXJJYQNXIC-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000359950763 457166596 /nfs/dbraw/zinc/16/65/96/457166596.db2.gz UVOIKXJJYQNXIC-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000359950763 457166603 /nfs/dbraw/zinc/16/66/03/457166603.db2.gz UVOIKXJJYQNXIC-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000359950763 457166606 /nfs/dbraw/zinc/16/66/06/457166606.db2.gz UVOIKXJJYQNXIC-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(CC[NH+](C)C2CC2)c1 ZINC000342218653 457175389 /nfs/dbraw/zinc/17/53/89/457175389.db2.gz MYWVQAQHEZWCEP-LJQANCHMSA-N 2 1 329.488 3.136 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000342218653 457175394 /nfs/dbraw/zinc/17/53/94/457175394.db2.gz MYWVQAQHEZWCEP-LJQANCHMSA-N 2 1 329.488 3.136 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000342218653 457175397 /nfs/dbraw/zinc/17/53/97/457175397.db2.gz MYWVQAQHEZWCEP-LJQANCHMSA-N 2 1 329.488 3.136 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000354293165 457178379 /nfs/dbraw/zinc/17/83/79/457178379.db2.gz ZSBLDWMHRKXJPT-FQEVSTJZSA-N 2 1 343.515 3.162 20 0 EGADMP C[NH+](Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000354293165 457178385 /nfs/dbraw/zinc/17/83/85/457178385.db2.gz ZSBLDWMHRKXJPT-FQEVSTJZSA-N 2 1 343.515 3.162 20 0 EGADMP C[NH+](Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000354293165 457178387 /nfs/dbraw/zinc/17/83/87/457178387.db2.gz ZSBLDWMHRKXJPT-FQEVSTJZSA-N 2 1 343.515 3.162 20 0 EGADMP CCC[N@@H+](Cc1ccc(OC)c(OC(F)F)c1)C1CC[NH2+]CC1 ZINC000347040582 457198954 /nfs/dbraw/zinc/19/89/54/457198954.db2.gz KRQSMBUVEYBLPF-UHFFFAOYSA-N 2 1 328.403 3.261 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000360030980 457214626 /nfs/dbraw/zinc/21/46/26/457214626.db2.gz YKDCKGKHMLJJMO-BPUTZDHNSA-N 2 1 327.472 3.194 20 0 EGADMP COc1cc(Br)ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347089710 457224928 /nfs/dbraw/zinc/22/49/28/457224928.db2.gz FLWCSQRVGLXZIF-YIONKMFJSA-N 2 1 339.277 3.173 20 0 EGADMP COc1cc(Br)ccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347089710 457224934 /nfs/dbraw/zinc/22/49/34/457224934.db2.gz FLWCSQRVGLXZIF-YIONKMFJSA-N 2 1 339.277 3.173 20 0 EGADMP Cc1cnc([C@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000357000873 457267735 /nfs/dbraw/zinc/26/77/35/457267735.db2.gz LYJGSQWFTKCYIK-KRWDZBQOSA-N 2 1 348.535 3.172 20 0 EGADMP Cc1cnc([C@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000357000873 457267743 /nfs/dbraw/zinc/26/77/43/457267743.db2.gz LYJGSQWFTKCYIK-KRWDZBQOSA-N 2 1 348.535 3.172 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357014926 457277367 /nfs/dbraw/zinc/27/73/67/457277367.db2.gz YIRWQWHXXFCHDM-UHFFFAOYSA-N 2 1 339.439 3.142 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357014926 457277371 /nfs/dbraw/zinc/27/73/71/457277371.db2.gz YIRWQWHXXFCHDM-UHFFFAOYSA-N 2 1 339.439 3.142 20 0 EGADMP COc1cc2c(c(C[NH2+]CC(C)(C)C[NH+]3CCCC3)c1)O[C@H](C)C2 ZINC000360166140 457284207 /nfs/dbraw/zinc/28/42/07/457284207.db2.gz PGVSPRAKVBCXOT-OAHLLOKOSA-N 2 1 332.488 3.230 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)C2CCC2)CC1 ZINC000357031783 457287188 /nfs/dbraw/zinc/28/71/88/457287188.db2.gz ZMFIFONRRASFNU-QZTJIDSGSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)C2CCC2)CC1 ZINC000357031783 457287190 /nfs/dbraw/zinc/28/71/90/457287190.db2.gz ZMFIFONRRASFNU-QZTJIDSGSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCCC1 ZINC000342421249 457294308 /nfs/dbraw/zinc/29/43/08/457294308.db2.gz DQDGZHOZYWUVBU-IBGZPJMESA-N 2 1 343.515 3.032 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357066035 457306658 /nfs/dbraw/zinc/30/66/58/457306658.db2.gz BLRLPMNOBHEVTI-SFHVURJKSA-N 2 1 343.515 3.378 20 0 EGADMP [NH3+]CCOCC[N@@H+]1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000357077294 457310122 /nfs/dbraw/zinc/31/01/22/457310122.db2.gz AOEQHRHMAQUUPP-LJQANCHMSA-N 2 1 330.859 3.415 20 0 EGADMP [NH3+]CCOCC[N@H+]1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000357077294 457310126 /nfs/dbraw/zinc/31/01/26/457310126.db2.gz AOEQHRHMAQUUPP-LJQANCHMSA-N 2 1 330.859 3.415 20 0 EGADMP CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357079685 457311505 /nfs/dbraw/zinc/31/15/05/457311505.db2.gz LHHIVTSBZWPUBP-GDBMZVCRSA-N 2 1 347.528 3.057 20 0 EGADMP C[N@@H+](CCOCC[NH3+])[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000357081898 457313245 /nfs/dbraw/zinc/31/32/45/457313245.db2.gz NUDLYGLDXMCVMO-SFHVURJKSA-N 2 1 336.838 3.476 20 0 EGADMP CCc1cc(=O)[nH]c(C[NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)n1 ZINC000357091936 457318339 /nfs/dbraw/zinc/31/83/39/457318339.db2.gz XPVUDEDUEDLEMR-UHFFFAOYSA-N 2 1 346.519 3.079 20 0 EGADMP CCc1cc(=O)[nH]c(C[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)n1 ZINC000357091936 457318344 /nfs/dbraw/zinc/31/83/44/457318344.db2.gz XPVUDEDUEDLEMR-UHFFFAOYSA-N 2 1 346.519 3.079 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000352130365 457340113 /nfs/dbraw/zinc/34/01/13/457340113.db2.gz YTGRMBMFPKEAOI-IBGZPJMESA-N 2 1 333.520 3.310 20 0 EGADMP COCCSCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352440513 457368378 /nfs/dbraw/zinc/36/83/78/457368378.db2.gz OVHCIBFZRXGBEW-PMACEKPBSA-N 2 1 348.556 3.210 20 0 EGADMP COCCSCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352440513 457368382 /nfs/dbraw/zinc/36/83/82/457368382.db2.gz OVHCIBFZRXGBEW-PMACEKPBSA-N 2 1 348.556 3.210 20 0 EGADMP COCCSCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352440513 457368386 /nfs/dbraw/zinc/36/83/86/457368386.db2.gz OVHCIBFZRXGBEW-PMACEKPBSA-N 2 1 348.556 3.210 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000378249658 457384356 /nfs/dbraw/zinc/38/43/56/457384356.db2.gz YAZNQENQYBATQZ-OXQOHEQNSA-N 2 1 347.934 3.428 20 0 EGADMP COc1cc2c(cc1C[NH2+]C[C@H](C)C[NH+]1CCCCC1)O[C@@H](C)C2 ZINC000378955310 457414968 /nfs/dbraw/zinc/41/49/68/457414968.db2.gz SMFXLMSWLZUUPH-HOTGVXAUSA-N 2 1 332.488 3.230 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C2CC[NH+](CC)CC2)cc1)C1CC1 ZINC000357295126 457428039 /nfs/dbraw/zinc/42/80/39/457428039.db2.gz JNYJWHQBEGLIKG-UHFFFAOYSA-N 2 1 343.515 3.227 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000391025891 457448981 /nfs/dbraw/zinc/44/89/81/457448981.db2.gz SCEOUAWFISZJFE-AABGKKOBSA-N 2 1 330.516 3.428 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000391025891 457448987 /nfs/dbraw/zinc/44/89/87/457448987.db2.gz SCEOUAWFISZJFE-AABGKKOBSA-N 2 1 330.516 3.428 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352546065 457455732 /nfs/dbraw/zinc/45/57/32/457455732.db2.gz OYJFJEZWJKNFQJ-FQEVSTJZSA-N 2 1 342.462 3.204 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352546065 457455734 /nfs/dbraw/zinc/45/57/34/457455734.db2.gz OYJFJEZWJKNFQJ-FQEVSTJZSA-N 2 1 342.462 3.204 20 0 EGADMP Cc1nc(C[NH+]2CCC(CNc3cc[nH+]c(C)c3Cl)CC2)oc1C ZINC000357342749 457460724 /nfs/dbraw/zinc/46/07/24/457460724.db2.gz XSYSKZDNMLOMEK-UHFFFAOYSA-N 2 1 348.878 3.394 20 0 EGADMP C[C@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000395230778 457476386 /nfs/dbraw/zinc/47/63/86/457476386.db2.gz VRLYTEUUSZSCPS-JBACZVJFSA-N 2 1 329.532 3.409 20 0 EGADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)Cc3ccc(O)cc3)CCCC2)CC1 ZINC000352575331 457477835 /nfs/dbraw/zinc/47/78/35/457477835.db2.gz AKABKWQPFLQRDP-KRWDZBQOSA-N 2 1 346.515 3.336 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC000369962354 457479771 /nfs/dbraw/zinc/47/97/71/457479771.db2.gz XSRLAZTYKBLKRR-WOJBJXKFSA-N 2 1 343.515 3.017 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000369962354 457479777 /nfs/dbraw/zinc/47/97/77/457479777.db2.gz XSRLAZTYKBLKRR-WOJBJXKFSA-N 2 1 343.515 3.017 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000369962354 457479780 /nfs/dbraw/zinc/47/97/80/457479780.db2.gz XSRLAZTYKBLKRR-WOJBJXKFSA-N 2 1 343.515 3.017 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc(C(C)(C)C)nc2)[C@@H](C)C1 ZINC000342730033 457485796 /nfs/dbraw/zinc/48/57/96/457485796.db2.gz PGMVWILFPPXIHO-FUHWJXTLSA-N 2 1 348.535 3.001 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnc(C(C)(C)C)nc2)[C@@H](C)C1 ZINC000342730033 457485801 /nfs/dbraw/zinc/48/58/01/457485801.db2.gz PGMVWILFPPXIHO-FUHWJXTLSA-N 2 1 348.535 3.001 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C[C@H](c1ncc[nH]1)c1ccccc1 ZINC000425314978 457494235 /nfs/dbraw/zinc/49/42/35/457494235.db2.gz KBJNXOSWFXWHPJ-WMZOPIPTSA-N 2 1 342.487 3.168 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000342753058 457499431 /nfs/dbraw/zinc/49/94/31/457499431.db2.gz OXZHPXZJDUUMOY-FXAWDEMLSA-N 2 1 345.531 3.313 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+][C@H]3C)cc2)C1 ZINC000342762711 457507409 /nfs/dbraw/zinc/50/74/09/457507409.db2.gz ZMGSXLZBHRNVTK-JTDSTZFVSA-N 2 1 329.488 3.245 20 0 EGADMP Cc1cccc(CC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000399698963 457510075 /nfs/dbraw/zinc/51/00/75/457510075.db2.gz AYEHGAOTPDUMCQ-LEWJYISDSA-N 2 1 335.495 3.386 20 0 EGADMP Cc1cccc(CC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000399698963 457510081 /nfs/dbraw/zinc/51/00/81/457510081.db2.gz AYEHGAOTPDUMCQ-LEWJYISDSA-N 2 1 335.495 3.386 20 0 EGADMP Cc1cccc(CC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000399698963 457510088 /nfs/dbraw/zinc/51/00/88/457510088.db2.gz AYEHGAOTPDUMCQ-LEWJYISDSA-N 2 1 335.495 3.386 20 0 EGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](n2ccnn2)C1 ZINC000425356622 457516574 /nfs/dbraw/zinc/51/65/74/457516574.db2.gz WTRCYUHWSJKTKA-IBGZPJMESA-N 2 1 341.503 3.073 20 0 EGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](n2ccnn2)C1 ZINC000425356622 457516582 /nfs/dbraw/zinc/51/65/82/457516582.db2.gz WTRCYUHWSJKTKA-IBGZPJMESA-N 2 1 341.503 3.073 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425356622 457516588 /nfs/dbraw/zinc/51/65/88/457516588.db2.gz WTRCYUHWSJKTKA-IBGZPJMESA-N 2 1 341.503 3.073 20 0 EGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425356622 457516597 /nfs/dbraw/zinc/51/65/97/457516597.db2.gz WTRCYUHWSJKTKA-IBGZPJMESA-N 2 1 341.503 3.073 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000401022434 457522171 /nfs/dbraw/zinc/52/21/71/457522171.db2.gz YIBOWAVWNDYZEA-YUMYIRISSA-N 3 1 341.543 3.266 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000401772367 457529864 /nfs/dbraw/zinc/52/98/64/457529864.db2.gz KGGXTDGDGIHZFY-UHFFFAOYSA-N 2 1 345.244 3.063 20 0 EGADMP Cc1cnc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1C ZINC000342789806 457530299 /nfs/dbraw/zinc/53/02/99/457530299.db2.gz YCXUMGHGHZRVDD-VQTJNVASSA-N 2 1 338.499 3.215 20 0 EGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000425389995 457533112 /nfs/dbraw/zinc/53/31/12/457533112.db2.gz ALQXCMHXLOSEFI-UHFFFAOYSA-N 2 1 347.466 3.332 20 0 EGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@H]3CC=CCC3)CC2)CC1 ZINC000374282638 457567370 /nfs/dbraw/zinc/56/73/70/457567370.db2.gz GDNLNONAXRRUQD-FQEVSTJZSA-N 2 1 333.564 3.471 20 0 EGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1CC=CCC1 ZINC000374282638 457567378 /nfs/dbraw/zinc/56/73/78/457567378.db2.gz GDNLNONAXRRUQD-FQEVSTJZSA-N 3 1 333.564 3.471 20 0 EGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1CC=CCC1 ZINC000374282638 457567385 /nfs/dbraw/zinc/56/73/85/457567385.db2.gz GDNLNONAXRRUQD-FQEVSTJZSA-N 3 1 333.564 3.471 20 0 EGADMP CCO[C@H]1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C12CCCCC2 ZINC000352751731 457581800 /nfs/dbraw/zinc/58/18/00/457581800.db2.gz WMSYZNMUVHGZIV-HOTGVXAUSA-N 2 1 337.533 3.422 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000357643144 457637465 /nfs/dbraw/zinc/63/74/65/457637465.db2.gz WWIOMQKHGTWUNM-KRWDZBQOSA-N 2 1 348.535 3.055 20 0 EGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000357643144 457637467 /nfs/dbraw/zinc/63/74/67/457637467.db2.gz WWIOMQKHGTWUNM-KRWDZBQOSA-N 2 1 348.535 3.055 20 0 EGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000357643144 457637471 /nfs/dbraw/zinc/63/74/71/457637471.db2.gz WWIOMQKHGTWUNM-KRWDZBQOSA-N 2 1 348.535 3.055 20 0 EGADMP COc1ccc2oc([C@H](C)[NH2+][C@H](C)CN3CC[NH+](C)CC3)c(C)c2c1 ZINC000361219868 457650591 /nfs/dbraw/zinc/65/05/91/457650591.db2.gz HHGRPPZGVRYQBV-ZBFHGGJFSA-N 2 1 345.487 3.036 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000357742609 457675462 /nfs/dbraw/zinc/67/54/62/457675462.db2.gz LMPHVTUOFZGMRB-HKUYNNGSSA-N 2 1 348.535 3.017 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370712074 457704672 /nfs/dbraw/zinc/70/46/72/457704672.db2.gz ZHBYSFVPVYJDOZ-APWZRJJASA-N 2 1 343.540 3.359 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000357842529 457708206 /nfs/dbraw/zinc/70/82/06/457708206.db2.gz BLOXMPUNVQNHGI-IPYPFGDCSA-N 2 1 345.409 3.188 20 0 EGADMP CC[C@@]1(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC[NH2+]C1 ZINC000370847443 457728580 /nfs/dbraw/zinc/72/85/80/457728580.db2.gz RYIBRDZAXZUTIF-HXUWFJFHSA-N 2 1 340.471 3.383 20 0 EGADMP COC[C@H](CC(C)C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358027191 457743986 /nfs/dbraw/zinc/74/39/86/457743986.db2.gz WMMGEATUPWMXSO-UEXGIBASSA-N 2 1 348.531 3.447 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)[C@@H](C)C1 ZINC000358059118 457759738 /nfs/dbraw/zinc/75/97/38/457759738.db2.gz HYHCJZNKBGWYIP-BBRMVZONSA-N 2 1 338.879 3.321 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)[C@@H](C)C1 ZINC000358059118 457759743 /nfs/dbraw/zinc/75/97/43/457759743.db2.gz HYHCJZNKBGWYIP-BBRMVZONSA-N 2 1 338.879 3.321 20 0 EGADMP Cc1ccc2cc([C@@H](C)[NH2+]CCCN3CCC[N@@H+](C)CC3)oc2c1 ZINC000426049146 457765948 /nfs/dbraw/zinc/76/59/48/457765948.db2.gz IQIWEKBBRJRPGJ-QGZVFWFLSA-N 2 1 329.488 3.419 20 0 EGADMP C[NH+](C)[C@@H](C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2)c1ccccc1 ZINC000375239264 457844833 /nfs/dbraw/zinc/84/48/33/457844833.db2.gz TYEDLOUCKAEVIE-HXUWFJFHSA-N 2 1 335.451 3.406 20 0 EGADMP C[NH+](C)[C@@H](C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2)c1ccccc1 ZINC000375239264 457844839 /nfs/dbraw/zinc/84/48/39/457844839.db2.gz TYEDLOUCKAEVIE-HXUWFJFHSA-N 2 1 335.451 3.406 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371303399 457856316 /nfs/dbraw/zinc/85/63/16/457856316.db2.gz OJMUYDPMJWAJIP-GCJKJVERSA-N 2 1 337.511 3.298 20 0 EGADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(-c3ccccc3)s2)CC1 ZINC000361801128 457870739 /nfs/dbraw/zinc/87/07/39/457870739.db2.gz VGIYGGQXXZPHNB-UHFFFAOYSA-N 2 1 330.497 3.352 20 0 EGADMP COC(=O)C[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411397597 457874085 /nfs/dbraw/zinc/87/40/85/457874085.db2.gz HZKLVHPHXZDSSD-LJQANCHMSA-N 2 1 330.472 3.200 20 0 EGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000358248937 457885658 /nfs/dbraw/zinc/88/56/58/457885658.db2.gz HUZRHYIDZBGLJY-HOTGVXAUSA-N 2 1 329.271 3.101 20 0 EGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000358248937 457885661 /nfs/dbraw/zinc/88/56/61/457885661.db2.gz HUZRHYIDZBGLJY-HOTGVXAUSA-N 2 1 329.271 3.101 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(OC)ccc2Cl)C1 ZINC000361833503 457894269 /nfs/dbraw/zinc/89/42/69/457894269.db2.gz OEBDMIUWUMIISX-KRWDZBQOSA-N 2 1 340.895 3.281 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2C)C[C@H]1C ZINC000361836535 457896835 /nfs/dbraw/zinc/89/68/35/457896835.db2.gz GGLKSIZREJXTRE-IEBWSBKVSA-N 2 1 326.488 3.485 20 0 EGADMP CCN1CC[C@@H]([N@H+](C)Cc2ccc(-n3ccnc3)cc2C)C[C@H]1C ZINC000361836535 457896852 /nfs/dbraw/zinc/89/68/52/457896852.db2.gz GGLKSIZREJXTRE-IEBWSBKVSA-N 3 1 326.488 3.485 20 0 EGADMP CCN1CC[C@@H]([N@@H+](C)Cc2ccc(-n3ccnc3)cc2C)C[C@H]1C ZINC000361836535 457896857 /nfs/dbraw/zinc/89/68/57/457896857.db2.gz GGLKSIZREJXTRE-IEBWSBKVSA-N 3 1 326.488 3.485 20 0 EGADMP O[C@]1(C[NH2+][C@@H]2CCc3cc(F)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000361893049 457936112 /nfs/dbraw/zinc/93/61/12/457936112.db2.gz WZVUFIMPFNLFQB-RTWAWAEBSA-N 2 1 340.442 3.040 20 0 EGADMP O[C@]1(C[NH2+][C@@H]2CCc3cc(F)ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000361893049 457936120 /nfs/dbraw/zinc/93/61/20/457936120.db2.gz WZVUFIMPFNLFQB-RTWAWAEBSA-N 2 1 340.442 3.040 20 0 EGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)cs1 ZINC000427124036 457947593 /nfs/dbraw/zinc/94/75/93/457947593.db2.gz NDANBNDNVOZXAM-VQIMIIECSA-N 2 1 343.496 3.214 20 0 EGADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)cs1 ZINC000427124036 457947596 /nfs/dbraw/zinc/94/75/96/457947596.db2.gz NDANBNDNVOZXAM-VQIMIIECSA-N 2 1 343.496 3.214 20 0 EGADMP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)n(-c2ccccc2)n1 ZINC000358344725 457948069 /nfs/dbraw/zinc/94/80/69/457948069.db2.gz XOXIVCYCTIXIQL-QRFRQXIXSA-N 2 1 338.499 3.328 20 0 EGADMP CO[C@@H]1CC[NH+](CC[C@@H](C)CC[N@@H+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000411689632 457951853 /nfs/dbraw/zinc/95/18/53/457951853.db2.gz DSXFTJYQHVCFDX-YCKXBTPASA-N 2 1 340.552 3.401 20 0 EGADMP CO[C@@H]1CC[N@@H+](CC[C@@H](C)CC[NH+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000411689632 457951857 /nfs/dbraw/zinc/95/18/57/457951857.db2.gz DSXFTJYQHVCFDX-YCKXBTPASA-N 2 1 340.552 3.401 20 0 EGADMP CO[C@@H]1CC[N@H+](CC[C@@H](C)CC[NH+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000411689632 457951860 /nfs/dbraw/zinc/95/18/60/457951860.db2.gz DSXFTJYQHVCFDX-YCKXBTPASA-N 2 1 340.552 3.401 20 0 EGADMP CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCn1ccnc1 ZINC000371477766 457953258 /nfs/dbraw/zinc/95/32/58/457953258.db2.gz OVZXXKLRYVWEIN-ALOPSCKCSA-N 2 1 348.491 3.183 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000427194791 457957037 /nfs/dbraw/zinc/95/70/37/457957037.db2.gz XEKMJLLWOMOMAL-HXUWFJFHSA-N 2 1 343.515 3.275 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@H]2CCC[NH2+]CC2)cc1 ZINC000427288942 457970893 /nfs/dbraw/zinc/97/08/93/457970893.db2.gz RUHMUWXMCKPHGP-RDJZCZTQSA-N 2 1 340.471 3.138 20 0 EGADMP CO[C@@H]1CC[N@@H+](CC[C@@H](C)CC[NH+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000411808355 457983766 /nfs/dbraw/zinc/98/37/66/457983766.db2.gz SFAKPMNEOHMWIK-VYJAJWGXSA-N 2 1 340.552 3.116 20 0 EGADMP CO[C@@H]1CC[NH+](CC[C@@H](C)CC[N@@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000411808355 457983770 /nfs/dbraw/zinc/98/37/70/457983770.db2.gz SFAKPMNEOHMWIK-VYJAJWGXSA-N 2 1 340.552 3.116 20 0 EGADMP CO[C@@H]1CC[NH+](CC[C@@H](C)CC[N@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000411808355 457983774 /nfs/dbraw/zinc/98/37/74/457983774.db2.gz SFAKPMNEOHMWIK-VYJAJWGXSA-N 2 1 340.552 3.116 20 0 EGADMP CC(C)CCOCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000427673473 458019862 /nfs/dbraw/zinc/01/98/62/458019862.db2.gz ULGXNGKRIFABAJ-KDURUIRLSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)n1cc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000369181621 458114740 /nfs/dbraw/zinc/11/47/40/458114740.db2.gz AJDSFOUMNPDWSU-HXUWFJFHSA-N 2 1 326.488 3.466 20 0 EGADMP CC(C)n1cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000369181621 458114746 /nfs/dbraw/zinc/11/47/46/458114746.db2.gz AJDSFOUMNPDWSU-HXUWFJFHSA-N 2 1 326.488 3.466 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000435373765 458123894 /nfs/dbraw/zinc/12/38/94/458123894.db2.gz VKYROFCKIFSVIR-TZMCWYRMSA-N 2 1 338.377 3.060 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000435375891 458127072 /nfs/dbraw/zinc/12/70/72/458127072.db2.gz OQCPPDXFUVORGL-IBGZPJMESA-N 2 1 340.467 3.316 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000435375891 458127076 /nfs/dbraw/zinc/12/70/76/458127076.db2.gz OQCPPDXFUVORGL-IBGZPJMESA-N 2 1 340.467 3.316 20 0 EGADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000375988952 458152087 /nfs/dbraw/zinc/15/20/87/458152087.db2.gz OXKJJQJYWFUZEW-PZJWPPBQSA-N 2 1 338.499 3.299 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1)CC(C)C ZINC000358746738 458188042 /nfs/dbraw/zinc/18/80/42/458188042.db2.gz QSGQSIQBOLCGJD-FQEVSTJZSA-N 2 1 345.531 3.293 20 0 EGADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412389881 458189289 /nfs/dbraw/zinc/18/92/89/458189289.db2.gz ARAIMLXQCXPDLB-HXUWFJFHSA-N 2 1 343.515 3.229 20 0 EGADMP COC[C@H]1CCCC[NH+](CCCC[N@@H+]2CCCC[C@H](COC)C2)C1 ZINC000372109741 458198120 /nfs/dbraw/zinc/19/81/20/458198120.db2.gz VNKLUQKPJNQBMI-PMACEKPBSA-N 2 1 340.552 3.264 20 0 EGADMP COC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCCC1 ZINC000446746474 458224673 /nfs/dbraw/zinc/22/46/73/458224673.db2.gz YMZPJPPYABYKAM-OAQYLSRUSA-N 2 1 330.516 3.488 20 0 EGADMP COC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCCC1 ZINC000446825798 458233176 /nfs/dbraw/zinc/23/31/76/458233176.db2.gz KVDNFLVBUQUCAJ-PZJWPPBQSA-N 2 1 330.516 3.346 20 0 EGADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCCO[C@@H]3CCCCO3)C2)[nH+]1 ZINC000358831477 458244867 /nfs/dbraw/zinc/24/48/67/458244867.db2.gz PBCWZGJDKGTZKZ-PKOBYXMFSA-N 2 1 333.476 3.057 20 0 EGADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCO[C@@H]3CCCCO3)C2)[nH+]1 ZINC000358831477 458244874 /nfs/dbraw/zinc/24/48/74/458244874.db2.gz PBCWZGJDKGTZKZ-PKOBYXMFSA-N 2 1 333.476 3.057 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC000429062311 458267128 /nfs/dbraw/zinc/26/71/28/458267128.db2.gz QBJGVNWHGMTCGC-PBHICJAKSA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC000429062311 458267131 /nfs/dbraw/zinc/26/71/31/458267131.db2.gz QBJGVNWHGMTCGC-PBHICJAKSA-N 2 1 337.895 3.473 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC000429062311 458267136 /nfs/dbraw/zinc/26/71/36/458267136.db2.gz QBJGVNWHGMTCGC-PBHICJAKSA-N 2 1 337.895 3.473 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCn2cc(Cl)cn2)cc1 ZINC000459390880 458357681 /nfs/dbraw/zinc/35/76/81/458357681.db2.gz TZQJBQIQIJMAMI-ZDUSSCGKSA-N 2 1 329.835 3.381 20 0 EGADMP CC(C)c1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000448073592 458386899 /nfs/dbraw/zinc/38/68/99/458386899.db2.gz DIXJIBGPSPZYTK-YJBOKZPZSA-N 2 1 343.519 3.119 20 0 EGADMP CC(C)c1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000448073592 458386904 /nfs/dbraw/zinc/38/69/04/458386904.db2.gz DIXJIBGPSPZYTK-YJBOKZPZSA-N 2 1 343.519 3.119 20 0 EGADMP CC(C)OC1CC([N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000459502378 458393604 /nfs/dbraw/zinc/39/36/04/458393604.db2.gz PAZWGUSYGGRHNK-IKJYFWGWSA-N 2 1 328.500 3.396 20 0 EGADMP CC(C)OC1CC([NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000459502378 458393611 /nfs/dbraw/zinc/39/36/11/458393611.db2.gz PAZWGUSYGGRHNK-IKJYFWGWSA-N 2 1 328.500 3.396 20 0 EGADMP CC[C@H]([NH3+])C[NH2+][C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000423461550 458436170 /nfs/dbraw/zinc/43/61/70/458436170.db2.gz JUFDUWBDWJMQKZ-PXNSSMCTSA-N 2 1 328.456 3.315 20 0 EGADMP CC[C@@H]([NH3+])C[NH2+][C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000423461552 458436758 /nfs/dbraw/zinc/43/67/58/458436758.db2.gz JUFDUWBDWJMQKZ-YLJYHZDGSA-N 2 1 328.456 3.315 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[C@@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423477753 458438343 /nfs/dbraw/zinc/43/83/43/458438343.db2.gz KISFRUBFNXRSMD-KJJMTIBFSA-N 3 1 341.543 3.409 20 0 EGADMP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423491407 458442247 /nfs/dbraw/zinc/44/22/47/458442247.db2.gz JOCMRSVFKMGGSH-SCRDCRAPSA-N 2 1 347.286 3.117 20 0 EGADMP Cc1c([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cnn1-c1ccc(F)cc1 ZINC000423535982 458453291 /nfs/dbraw/zinc/45/32/91/458453291.db2.gz YVHRJGGKZVNFKP-BFUOFWGJSA-N 2 1 330.451 3.488 20 0 EGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000459721839 458457205 /nfs/dbraw/zinc/45/72/05/458457205.db2.gz BDYDBPFUSWSTFQ-QZTJIDSGSA-N 2 1 331.504 3.342 20 0 EGADMP COc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1OC(F)F ZINC000459724453 458458517 /nfs/dbraw/zinc/45/85/17/458458517.db2.gz DSDBFPHQRKSLCJ-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)[C@@H]1C[NH3+] ZINC000430555546 458460694 /nfs/dbraw/zinc/46/06/94/458460694.db2.gz SIRHYXDHHLVRGQ-HNAYVOBHSA-N 2 1 325.456 3.228 20 0 EGADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc3ccccc32)[C@@H]1C[NH3+] ZINC000430555546 458460698 /nfs/dbraw/zinc/46/06/98/458460698.db2.gz SIRHYXDHHLVRGQ-HNAYVOBHSA-N 2 1 325.456 3.228 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000459730029 458461190 /nfs/dbraw/zinc/46/11/90/458461190.db2.gz JRZCRTUFZPOWLI-HXUWFJFHSA-N 2 1 329.532 3.015 20 0 EGADMP C[N@@H+]1CCC[C@H](CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000459730029 458461196 /nfs/dbraw/zinc/46/11/96/458461196.db2.gz JRZCRTUFZPOWLI-HXUWFJFHSA-N 3 1 329.532 3.015 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000459730029 458461199 /nfs/dbraw/zinc/46/11/99/458461199.db2.gz JRZCRTUFZPOWLI-HXUWFJFHSA-N 3 1 329.532 3.015 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459782589 458477958 /nfs/dbraw/zinc/47/79/58/458477958.db2.gz MRJLQLZPLRUQNA-DLBZAZTESA-N 2 1 334.504 3.265 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)CC3 ZINC000459786674 458479220 /nfs/dbraw/zinc/47/92/20/458479220.db2.gz PGPDYFPLLGCSQV-CVEARBPZSA-N 2 1 341.499 3.355 20 0 EGADMP CO[C@@H]1CC[N@@H+](CC[C@H](C)[NH+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451564629 458481373 /nfs/dbraw/zinc/48/13/73/458481373.db2.gz MBVMQQBZJBZLIV-KSZLIROESA-N 2 1 340.552 3.259 20 0 EGADMP CO[C@@H]1CC[NH+](CC[C@H](C)[N@@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451564629 458481378 /nfs/dbraw/zinc/48/13/78/458481378.db2.gz MBVMQQBZJBZLIV-KSZLIROESA-N 2 1 340.552 3.259 20 0 EGADMP CO[C@@H]1CC[NH+](CC[C@H](C)[N@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451564629 458481382 /nfs/dbraw/zinc/48/13/82/458481382.db2.gz MBVMQQBZJBZLIV-KSZLIROESA-N 2 1 340.552 3.259 20 0 EGADMP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000430951357 458510145 /nfs/dbraw/zinc/51/01/45/458510145.db2.gz VHPIWNKISXGMPJ-GHMZBOCLSA-N 2 1 344.286 3.380 20 0 EGADMP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423909741 458511474 /nfs/dbraw/zinc/51/14/74/458511474.db2.gz UJPVBLYBXJLBLU-ZVDOUQERSA-N 2 1 343.515 3.017 20 0 EGADMP CCCCOc1ccccc1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000468395306 458515555 /nfs/dbraw/zinc/51/55/55/458515555.db2.gz YZQTWFSXEQOGND-IBGZPJMESA-N 2 1 346.515 3.410 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000461225974 458551072 /nfs/dbraw/zinc/55/10/72/458551072.db2.gz KXDAWVGKSBVFOC-AOIWGVFYSA-N 2 1 348.535 3.097 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC3(CCCCC3)CC2)CC1 ZINC000469865180 458598578 /nfs/dbraw/zinc/59/85/78/458598578.db2.gz IIARNZONCYMYTC-UHFFFAOYSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(OC[C@@H]3CCCO3)cc1)CC[NH2+]CC2 ZINC000424282674 458601990 /nfs/dbraw/zinc/60/19/90/458601990.db2.gz AACXMPUKEQNHTF-PXNSSMCTSA-N 2 1 344.499 3.208 20 0 EGADMP CC(C)c1ccc(CC[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000469954462 458602393 /nfs/dbraw/zinc/60/23/93/458602393.db2.gz VFZBUZMJTNOYQE-SIKLNZKXSA-N 2 1 343.559 3.310 20 0 EGADMP CC[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1)[NH+](CC)CC ZINC000469986934 458604606 /nfs/dbraw/zinc/60/46/06/458604606.db2.gz HYGAPYCZHPCKBW-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)c1 ZINC000424293720 458606372 /nfs/dbraw/zinc/60/63/72/458606372.db2.gz PSIZZIRSCBRDQU-QGZVFWFLSA-N 2 1 329.488 3.014 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1sccc1Br)CC[NH2+]CC2 ZINC000424299006 458608376 /nfs/dbraw/zinc/60/83/76/458608376.db2.gz VIRHKKWIXRCEDK-LLVKDONJSA-N 2 1 329.307 3.475 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N(C1CC1)C1CCC(C)CC1)CC[NH2+]CC2 ZINC000424299780 458608931 /nfs/dbraw/zinc/60/89/31/458608931.db2.gz VTHPMUSELJMIEG-LXPRWKDFSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000431722484 458613074 /nfs/dbraw/zinc/61/30/74/458613074.db2.gz MFPUTOMMRLXOBG-MJGOQNOKSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000431773146 458620995 /nfs/dbraw/zinc/62/09/95/458620995.db2.gz AHFDVSYRUYRBDJ-PKOBYXMFSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000424447607 458646292 /nfs/dbraw/zinc/64/62/92/458646292.db2.gz VVZJMRUBYJVSDZ-HNNXBMFYSA-N 2 1 332.492 3.087 20 0 EGADMP CCc1ccc(NC(=O)[C@H](C)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000470966599 458672100 /nfs/dbraw/zinc/67/21/00/458672100.db2.gz JZEUZMQECFRFGI-LPHOPBHVSA-N 2 1 343.515 3.240 20 0 EGADMP Fc1cc(Cl)ccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530243350 458729290 /nfs/dbraw/zinc/72/92/90/458729290.db2.gz XBECQJQQZBLTTK-MRXNPFEDSA-N 2 1 326.843 3.070 20 0 EGADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC000439688851 458739507 /nfs/dbraw/zinc/73/95/07/458739507.db2.gz APQMTIMNZXNQJQ-KRWDZBQOSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC000439688851 458739509 /nfs/dbraw/zinc/73/95/09/458739509.db2.gz APQMTIMNZXNQJQ-KRWDZBQOSA-N 2 1 334.508 3.023 20 0 EGADMP Cc1noc(C)c1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471839629 458740870 /nfs/dbraw/zinc/74/08/70/458740870.db2.gz YLZOMHYUGWYVMG-ICSRJNTNSA-N 2 1 327.472 3.464 20 0 EGADMP COc1ccc(C[NH+](C)C)cc1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547733349 458782204 /nfs/dbraw/zinc/78/22/04/458782204.db2.gz OTWXSSDJCBFWLP-UHFFFAOYSA-N 2 1 347.503 3.350 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000495084339 458796549 /nfs/dbraw/zinc/79/65/49/458796549.db2.gz MBWPMYKXPICVPT-ZWKOTPCHSA-N 2 1 345.531 3.407 20 0 EGADMP COC(=O)CC1(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000440784168 458852877 /nfs/dbraw/zinc/85/28/77/458852877.db2.gz MHQSCLZCANBMRN-HKUYNNGSSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)CC1(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000440784168 458852882 /nfs/dbraw/zinc/85/28/82/458852882.db2.gz MHQSCLZCANBMRN-HKUYNNGSSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)CC1(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000440784168 458852889 /nfs/dbraw/zinc/85/28/89/458852889.db2.gz MHQSCLZCANBMRN-HKUYNNGSSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)CC1(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000440784168 458852896 /nfs/dbraw/zinc/85/28/96/458852896.db2.gz MHQSCLZCANBMRN-HKUYNNGSSA-N 2 1 344.499 3.315 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)cc1 ZINC000440937436 458869480 /nfs/dbraw/zinc/86/94/80/458869480.db2.gz PIMDESLBUGRMHM-VQIMIIECSA-N 2 1 343.515 3.274 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000440937436 458869485 /nfs/dbraw/zinc/86/94/85/458869485.db2.gz PIMDESLBUGRMHM-VQIMIIECSA-N 2 1 343.515 3.274 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000440937436 458869490 /nfs/dbraw/zinc/86/94/90/458869490.db2.gz PIMDESLBUGRMHM-VQIMIIECSA-N 2 1 343.515 3.274 20 0 EGADMP C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000495508641 458871206 /nfs/dbraw/zinc/87/12/06/458871206.db2.gz IKAJIAIZQVNUAN-IRXDYDNUSA-N 2 1 339.524 3.098 20 0 EGADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000474810047 458902201 /nfs/dbraw/zinc/90/22/01/458902201.db2.gz NMOSIUWXMHSMMR-QPIRBTGLSA-N 2 1 336.520 3.353 20 0 EGADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000474810047 458902207 /nfs/dbraw/zinc/90/22/07/458902207.db2.gz NMOSIUWXMHSMMR-QPIRBTGLSA-N 2 1 336.520 3.353 20 0 EGADMP Cc1cc(C)cc(OCCC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000441268417 458908806 /nfs/dbraw/zinc/90/88/06/458908806.db2.gz XQIVOHIIYMIUJV-HLAWJBBLSA-N 2 1 346.515 3.256 20 0 EGADMP CC(C)(CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCCCC1 ZINC000531386530 458910426 /nfs/dbraw/zinc/91/04/26/458910426.db2.gz MPTQXLVPVUVVMG-QGZVFWFLSA-N 2 1 335.536 3.022 20 0 EGADMP CCOC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000495736039 458934267 /nfs/dbraw/zinc/93/42/67/458934267.db2.gz ZPZGGVRYWHNLQD-RTBURBONSA-N 2 1 345.487 3.032 20 0 EGADMP CCOC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000495736039 458934271 /nfs/dbraw/zinc/93/42/71/458934271.db2.gz ZPZGGVRYWHNLQD-RTBURBONSA-N 2 1 345.487 3.032 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000556173481 458934360 /nfs/dbraw/zinc/93/43/60/458934360.db2.gz VGWKOUVNMBYCDM-FDFHNCONSA-N 2 1 338.495 3.405 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000556173481 458934364 /nfs/dbraw/zinc/93/43/64/458934364.db2.gz VGWKOUVNMBYCDM-FDFHNCONSA-N 2 1 338.495 3.405 20 0 EGADMP CCOC(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000495736038 458934395 /nfs/dbraw/zinc/93/43/95/458934395.db2.gz ZPZGGVRYWHNLQD-RBUKOAKNSA-N 2 1 345.487 3.032 20 0 EGADMP CCOC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000495736038 458934399 /nfs/dbraw/zinc/93/43/99/458934399.db2.gz ZPZGGVRYWHNLQD-RBUKOAKNSA-N 2 1 345.487 3.032 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000467194109 458957302 /nfs/dbraw/zinc/95/73/02/458957302.db2.gz GHSDHOVOINRWEO-MOPGFXCFSA-N 2 1 338.536 3.301 20 0 EGADMP CCc1cccc(Cl)c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000475700105 458960034 /nfs/dbraw/zinc/96/00/34/458960034.db2.gz MPJHNCMMFLZCBX-JXFKEZNVSA-N 2 1 349.950 3.360 20 0 EGADMP CCc1cccc(Cl)c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000475700105 458960037 /nfs/dbraw/zinc/96/00/37/458960037.db2.gz MPJHNCMMFLZCBX-JXFKEZNVSA-N 2 1 349.950 3.360 20 0 EGADMP CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000531701940 458963231 /nfs/dbraw/zinc/96/32/31/458963231.db2.gz SFWFLXKFQRRSSU-PKOBYXMFSA-N 2 1 334.504 3.219 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000495815264 458963916 /nfs/dbraw/zinc/96/39/16/458963916.db2.gz YDVBIWGUROPWKG-CGZBRXJRSA-N 2 1 339.524 3.001 20 0 EGADMP CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000531970980 459009047 /nfs/dbraw/zinc/00/90/47/459009047.db2.gz AZTMILPHJOAFPV-HSALFYBXSA-N 2 1 343.515 3.052 20 0 EGADMP Cc1cc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)ccc1F ZINC000566905601 459020072 /nfs/dbraw/zinc/02/00/72/459020072.db2.gz JVLVVZUYUCAEBL-QGZVFWFLSA-N 2 1 344.434 3.148 20 0 EGADMP CCCCNC(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476985617 459025461 /nfs/dbraw/zinc/02/54/61/459025461.db2.gz OEBAVBGXPRMMNT-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[C@@H](C)[C@H](C)C3)CC2)CC1 ZINC000577387985 459026353 /nfs/dbraw/zinc/02/63/53/459026353.db2.gz YZCMHJLICYCJRO-ZHALLVOQSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000442751622 459030476 /nfs/dbraw/zinc/03/04/76/459030476.db2.gz CNPLVEWLMJVYOS-LZJOCLMNSA-N 2 1 343.515 3.093 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000442751622 459030479 /nfs/dbraw/zinc/03/04/79/459030479.db2.gz CNPLVEWLMJVYOS-LZJOCLMNSA-N 2 1 343.515 3.093 20 0 EGADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Br)cc2cccnc21 ZINC000442761803 459033402 /nfs/dbraw/zinc/03/34/02/459033402.db2.gz CWDMJPJKGUCVMH-NWDGAFQWSA-N 2 1 334.261 3.166 20 0 EGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Br)cc2cccnc21 ZINC000442761803 459033405 /nfs/dbraw/zinc/03/34/05/459033405.db2.gz CWDMJPJKGUCVMH-NWDGAFQWSA-N 2 1 334.261 3.166 20 0 EGADMP C[C@H]1CC[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c2sccc21 ZINC000567042669 459038632 /nfs/dbraw/zinc/03/86/32/459038632.db2.gz QAWCBDAMKJESDE-SMDDNHRTSA-N 2 1 331.489 3.061 20 0 EGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)c(Cl)c1 ZINC000442870699 459048080 /nfs/dbraw/zinc/04/80/80/459048080.db2.gz GWLAKOOJSCDGBL-CYBMUJFWSA-N 2 1 327.875 3.156 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000532236602 459051923 /nfs/dbraw/zinc/05/19/23/459051923.db2.gz IVQAWHNGYKILKW-LZWOXQAQSA-N 2 1 337.895 3.438 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000532236602 459051929 /nfs/dbraw/zinc/05/19/29/459051929.db2.gz IVQAWHNGYKILKW-LZWOXQAQSA-N 2 1 337.895 3.438 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2ccsc2S1 ZINC000442891725 459056788 /nfs/dbraw/zinc/05/67/88/459056788.db2.gz SAKXFOYIBHNKNN-DZGCQCFKSA-N 2 1 339.574 3.289 20 0 EGADMP COc1cc(Br)ccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442922990 459061015 /nfs/dbraw/zinc/06/10/15/459061015.db2.gz LVESDXKICVFBFA-GFCCVEGCSA-N 2 1 327.266 3.019 20 0 EGADMP C[C@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000477931103 459068182 /nfs/dbraw/zinc/06/81/82/459068182.db2.gz YIBZZWRMZOITNH-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000477931103 459068190 /nfs/dbraw/zinc/06/81/90/459068190.db2.gz YIBZZWRMZOITNH-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443056840 459078978 /nfs/dbraw/zinc/07/89/78/459078978.db2.gz DJYAFHQXJJACGU-HZPDHXFCSA-N 2 1 343.471 3.013 20 0 EGADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000443058451 459079937 /nfs/dbraw/zinc/07/99/37/459079937.db2.gz AFEQYCUGCOKVGL-IAGOWNOFSA-N 2 1 339.483 3.078 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000443062687 459080618 /nfs/dbraw/zinc/08/06/18/459080618.db2.gz UZNUJZWBOHGBPJ-ZDUSSCGKSA-N 2 1 332.366 3.025 20 0 EGADMP CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)n2)cc1 ZINC000443077125 459086015 /nfs/dbraw/zinc/08/60/15/459086015.db2.gz UCJGZMWEDTVLPX-HNNXBMFYSA-N 2 1 328.460 3.421 20 0 EGADMP C[N@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21)C1CC1 ZINC000577785623 459094524 /nfs/dbraw/zinc/09/45/24/459094524.db2.gz URXBWDSVBAQYSR-UWHLTILDSA-N 2 1 328.500 3.100 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21)C1CC1 ZINC000577785623 459094530 /nfs/dbraw/zinc/09/45/30/459094530.db2.gz URXBWDSVBAQYSR-UWHLTILDSA-N 2 1 328.500 3.100 20 0 EGADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21)C1CC1 ZINC000577785623 459094535 /nfs/dbraw/zinc/09/45/35/459094535.db2.gz URXBWDSVBAQYSR-UWHLTILDSA-N 2 1 328.500 3.100 20 0 EGADMP C[NH+](C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21)C1CC1 ZINC000577785623 459094540 /nfs/dbraw/zinc/09/45/40/459094540.db2.gz URXBWDSVBAQYSR-UWHLTILDSA-N 2 1 328.500 3.100 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000520834492 459097791 /nfs/dbraw/zinc/09/77/91/459097791.db2.gz DJKZZDSFZFKXBG-IBGZPJMESA-N 2 1 325.456 3.037 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000577854669 459107974 /nfs/dbraw/zinc/10/79/74/459107974.db2.gz VSCKBIVYHFMRSQ-YZUZWNONSA-N 2 1 330.516 3.284 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000496240043 459120082 /nfs/dbraw/zinc/12/00/82/459120082.db2.gz SANLZDXPECUDAF-IAGOWNOFSA-N 2 1 341.540 3.199 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000577955202 459123344 /nfs/dbraw/zinc/12/33/44/459123344.db2.gz HDGGUHDASFKCEO-FXAWDEMLSA-N 2 1 343.515 3.067 20 0 EGADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000479475834 459143264 /nfs/dbraw/zinc/14/32/64/459143264.db2.gz WSPXTVRSXOXBOS-FQEVSTJZSA-N 2 1 347.547 3.164 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000567748515 459160662 /nfs/dbraw/zinc/16/06/62/459160662.db2.gz XGPLJQPMGIVLQV-UHFFFAOYSA-N 2 1 341.455 3.183 20 0 EGADMP Cc1cccc(CC[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000567760234 459162299 /nfs/dbraw/zinc/16/22/99/459162299.db2.gz OTZXQOWGILZAHB-KDURUIRLSA-N 2 1 345.531 3.144 20 0 EGADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000521640659 459169595 /nfs/dbraw/zinc/16/95/95/459169595.db2.gz ZQWBLNNGRGSVIR-RRQGHBQHSA-N 2 1 344.421 3.401 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000521640659 459169597 /nfs/dbraw/zinc/16/95/97/459169597.db2.gz ZQWBLNNGRGSVIR-RRQGHBQHSA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000521640659 459169599 /nfs/dbraw/zinc/16/95/99/459169599.db2.gz ZQWBLNNGRGSVIR-RRQGHBQHSA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000521640659 459169601 /nfs/dbraw/zinc/16/96/01/459169601.db2.gz ZQWBLNNGRGSVIR-RRQGHBQHSA-N 2 1 344.421 3.401 20 0 EGADMP C[C@H]1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CN1C(=O)OC(C)(C)C ZINC000496478033 459207755 /nfs/dbraw/zinc/20/77/55/459207755.db2.gz XOWZGSBUEUWGFD-JKSUJKDBSA-N 2 1 339.524 3.238 20 0 EGADMP CC(C)CN(CC(C)C)C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786460 459218567 /nfs/dbraw/zinc/21/85/67/459218567.db2.gz DHKKBIIRPJZUBM-UHFFFAOYSA-N 2 1 339.568 3.179 20 0 EGADMP Cc1cccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000590786637 459218596 /nfs/dbraw/zinc/21/85/96/459218596.db2.gz KCZGLUFYTPRFGM-UHFFFAOYSA-N 2 1 331.504 3.294 20 0 EGADMP Cc1cccc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000590786637 459218601 /nfs/dbraw/zinc/21/86/01/459218601.db2.gz KCZGLUFYTPRFGM-UHFFFAOYSA-N 2 1 331.504 3.294 20 0 EGADMP CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786800 459218852 /nfs/dbraw/zinc/21/88/52/459218852.db2.gz NJLTVAKAVWPBDF-GOSISDBHSA-N 2 1 339.568 3.370 20 0 EGADMP C[C@H](CN[C@H](C)c1cccc(OCC[NH+](C)C)c1)C[NH+]1CCCCC1 ZINC000480906225 459223440 /nfs/dbraw/zinc/22/34/40/459223440.db2.gz XRDGBWARDGBGHB-RTBURBONSA-N 2 1 347.547 3.400 20 0 EGADMP Cc1ncc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1C ZINC000568269775 459261424 /nfs/dbraw/zinc/26/14/24/459261424.db2.gz XHTKQISHTXRMHT-QFBILLFUSA-N 2 1 326.488 3.119 20 0 EGADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496700058 459291229 /nfs/dbraw/zinc/29/12/29/459291229.db2.gz JJCMDFSFWLBMNK-HNNXBMFYSA-N 2 1 339.524 3.096 20 0 EGADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496700058 459291233 /nfs/dbraw/zinc/29/12/33/459291233.db2.gz JJCMDFSFWLBMNK-HNNXBMFYSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH+](C)CCCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000560521310 459364840 /nfs/dbraw/zinc/36/48/40/459364840.db2.gz BNYSKHLXRZFFJU-PWRODBHTSA-N 2 1 329.532 3.219 20 0 EGADMP C[NH+](C)CCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000560521310 459364844 /nfs/dbraw/zinc/36/48/44/459364844.db2.gz BNYSKHLXRZFFJU-PWRODBHTSA-N 3 1 329.532 3.219 20 0 EGADMP C[NH+](C)CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000560521310 459364849 /nfs/dbraw/zinc/36/48/49/459364849.db2.gz BNYSKHLXRZFFJU-PWRODBHTSA-N 3 1 329.532 3.219 20 0 EGADMP CCC[NH+](CCC)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000483736852 459388263 /nfs/dbraw/zinc/38/82/63/459388263.db2.gz SUBGUJQCHCLRQT-ZWKOTPCHSA-N 2 1 340.556 3.013 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)Oc1ccc(Br)cc1 ZINC000483829920 459394902 /nfs/dbraw/zinc/39/49/02/459394902.db2.gz BPMMUPWKPYNOHZ-IOASZLSFSA-N 2 1 341.293 3.146 20 0 EGADMP CC(C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000484875169 459432638 /nfs/dbraw/zinc/43/26/38/459432638.db2.gz GNPNZCCRPZYEIU-VAMGGRTRSA-N 2 1 346.515 3.358 20 0 EGADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1nc(-c2ccccc2)no1 ZINC000569445982 459451754 /nfs/dbraw/zinc/45/17/54/459451754.db2.gz JYELOCGZLYJGIF-AWEZNQCLSA-N 2 1 326.444 3.057 20 0 EGADMP C[C@H]1CC[N@@H+](CC2(CNC(=O)OC(C)(C)C)CC2)C[C@@H]1n1ccnc1 ZINC000497147285 459458958 /nfs/dbraw/zinc/45/89/58/459458958.db2.gz MRJSCYKVDWNBLN-HOTGVXAUSA-N 2 1 348.491 3.071 20 0 EGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497177391 459474181 /nfs/dbraw/zinc/47/41/81/459474181.db2.gz KDOSCYGPZOISKC-IXDOHACOSA-N 2 1 339.524 3.096 20 0 EGADMP CCC(CC)(CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000486248901 459495607 /nfs/dbraw/zinc/49/56/07/459495607.db2.gz HNQARBGQWCUCEK-ZHALLVOQSA-N 2 1 345.531 3.210 20 0 EGADMP O[C@H](C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CCCCC1 ZINC000562061016 459507968 /nfs/dbraw/zinc/50/79/68/459507968.db2.gz DESXQROPHUZUAA-BHIFYINESA-N 2 1 342.527 3.382 20 0 EGADMP O[C@H](C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C1CCCCC1 ZINC000562061016 459507977 /nfs/dbraw/zinc/50/79/77/459507977.db2.gz DESXQROPHUZUAA-BHIFYINESA-N 2 1 342.527 3.382 20 0 EGADMP O[C@H](C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C1CCCCC1 ZINC000562061016 459507987 /nfs/dbraw/zinc/50/79/87/459507987.db2.gz DESXQROPHUZUAA-BHIFYINESA-N 2 1 342.527 3.382 20 0 EGADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000569803323 459512893 /nfs/dbraw/zinc/51/28/93/459512893.db2.gz NCYBWFCWNQBQIG-VQTJNVASSA-N 2 1 348.531 3.287 20 0 EGADMP OC1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000569827387 459518165 /nfs/dbraw/zinc/51/81/65/459518165.db2.gz XGCULSXQKFIOJA-SLFFLAALSA-N 2 1 328.500 3.182 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000562473737 459568808 /nfs/dbraw/zinc/56/88/08/459568808.db2.gz JNHJBDSNGZOEJR-UXHICEINSA-N 2 1 329.532 3.385 20 0 EGADMP CC(C)[C@@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000572886981 459590374 /nfs/dbraw/zinc/59/03/74/459590374.db2.gz HBOLCZLXVQLVMY-OAQYLSRUSA-N 2 1 331.548 3.384 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000572921076 459594522 /nfs/dbraw/zinc/59/45/22/459594522.db2.gz ZCOJDTVYJLDCHP-FUTAKVPZSA-N 2 1 338.442 3.411 20 0 EGADMP Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cn2cc[nH+]c12 ZINC000562615624 459602874 /nfs/dbraw/zinc/60/28/74/459602874.db2.gz UVXDLRKYNPRKKZ-MRXNPFEDSA-N 2 1 343.475 3.132 20 0 EGADMP Cc1cc(NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cn2cc[nH+]c12 ZINC000562615624 459602879 /nfs/dbraw/zinc/60/28/79/459602879.db2.gz UVXDLRKYNPRKKZ-MRXNPFEDSA-N 2 1 343.475 3.132 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000543416820 459655265 /nfs/dbraw/zinc/65/52/65/459655265.db2.gz SPBVGGUNICPNJM-MHTWAQMVSA-N 2 1 328.500 3.303 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000500106888 459665131 /nfs/dbraw/zinc/66/51/31/459665131.db2.gz QHPSNVRBZHVKKU-HOJAQTOUSA-N 2 1 345.531 3.180 20 0 EGADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000562958553 459681193 /nfs/dbraw/zinc/68/11/93/459681193.db2.gz MRLFSMQKEUXQOL-WJFTUGDTSA-N 2 1 335.923 3.453 20 0 EGADMP Clc1ccc([C@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)cc1Cl ZINC000563155224 459726892 /nfs/dbraw/zinc/72/68/92/459726892.db2.gz NNNZCSCOIFKPEY-MRXNPFEDSA-N 2 1 328.287 3.036 20 0 EGADMP C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(Cl)cc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000544129860 459730624 /nfs/dbraw/zinc/73/06/24/459730624.db2.gz NVNDUWZWLKMUFF-UIAACRFSSA-N 2 1 347.934 3.285 20 0 EGADMP C[C@@H]1C[N@H+]([C@@H]2CCc3ccc(Cl)cc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000544129860 459730629 /nfs/dbraw/zinc/73/06/29/459730629.db2.gz NVNDUWZWLKMUFF-UIAACRFSSA-N 2 1 347.934 3.285 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCCCC[NH2+]3)cc2)C1 ZINC000573805819 459739310 /nfs/dbraw/zinc/73/93/10/459739310.db2.gz QDNPDRSKAQYPNZ-PXNSSMCTSA-N 2 1 343.515 3.067 20 0 EGADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000574071359 459775826 /nfs/dbraw/zinc/77/58/26/459775826.db2.gz FICZVVKMTVGZHC-WOJBJXKFSA-N 2 1 348.531 3.287 20 0 EGADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000566005186 459791657 /nfs/dbraw/zinc/79/16/57/459791657.db2.gz WLWXPYMJGAQRFM-AZUAARDMSA-N 2 1 348.531 3.145 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000566017198 459794223 /nfs/dbraw/zinc/79/42/23/459794223.db2.gz ACJOVFGYGQTISW-BBRMVZONSA-N 2 1 330.863 3.417 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000566017198 459794228 /nfs/dbraw/zinc/79/42/28/459794228.db2.gz ACJOVFGYGQTISW-BBRMVZONSA-N 2 1 330.863 3.417 20 0 EGADMP C[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000545160762 459804782 /nfs/dbraw/zinc/80/47/82/459804782.db2.gz BAJAGXKTGYGNLD-YMTOWFKASA-N 2 1 337.678 3.364 20 0 EGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000566222338 459825519 /nfs/dbraw/zinc/82/55/19/459825519.db2.gz VEHXJNNGJROZOV-NJAFHUGGSA-N 2 1 335.536 3.019 20 0 EGADMP CC(=O)c1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)on1 ZINC000574954897 459898837 /nfs/dbraw/zinc/89/88/37/459898837.db2.gz OXNBQPASWGRKGO-UHFFFAOYSA-N 2 1 341.455 3.221 20 0 EGADMP CC(=O)c1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)on1 ZINC000574954897 459898838 /nfs/dbraw/zinc/89/88/38/459898838.db2.gz OXNBQPASWGRKGO-UHFFFAOYSA-N 2 1 341.455 3.221 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)C2)CC1 ZINC000602486613 459963888 /nfs/dbraw/zinc/96/38/88/459963888.db2.gz VVNNKUSGTUTDNE-BHDDXSALSA-N 2 1 341.543 3.281 20 0 EGADMP CCCC[NH+]1CCC([NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)CC1 ZINC000621751758 460049717 /nfs/dbraw/zinc/04/97/17/460049717.db2.gz MZSRYQORMVLKPT-LJQANCHMSA-N 2 1 329.488 3.338 20 0 EGADMP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c2ccccc21 ZINC000621756298 460050961 /nfs/dbraw/zinc/05/09/61/460050961.db2.gz KLTPIQMUOXHOAE-QUCCMNQESA-N 2 1 343.515 3.442 20 0 EGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C2 ZINC000621781163 460060838 /nfs/dbraw/zinc/06/08/38/460060838.db2.gz ZRACYVRZTXJOFV-XMSQKQJNSA-N 2 1 349.478 3.495 20 0 EGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C2 ZINC000621781163 460060843 /nfs/dbraw/zinc/06/08/43/460060843.db2.gz ZRACYVRZTXJOFV-XMSQKQJNSA-N 2 1 349.478 3.495 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NCC(C)(C)C)CC1 ZINC000625220759 460077095 /nfs/dbraw/zinc/07/70/95/460077095.db2.gz IEDZHXLNYAOAAX-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NCC(C)(C)C)CC1 ZINC000625220759 460077098 /nfs/dbraw/zinc/07/70/98/460077098.db2.gz IEDZHXLNYAOAAX-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1C ZINC000598970806 460109840 /nfs/dbraw/zinc/10/98/40/460109840.db2.gz OUZKVTGPOHPUOM-KRWDZBQOSA-N 2 1 349.519 3.266 20 0 EGADMP COC(=O)CC1CCC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000599047197 460139624 /nfs/dbraw/zinc/13/96/24/460139624.db2.gz YYAVPIGQZLRZLD-TVPLGVNVSA-N 2 1 336.520 3.495 20 0 EGADMP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)c2cccs2)CC1 ZINC000599291621 460217688 /nfs/dbraw/zinc/21/76/88/460217688.db2.gz NGWUIOJUFJKAKQ-IRXDYDNUSA-N 2 1 349.544 3.122 20 0 EGADMP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)c2cccs2)CC1 ZINC000599291621 460217694 /nfs/dbraw/zinc/21/76/94/460217694.db2.gz NGWUIOJUFJKAKQ-IRXDYDNUSA-N 2 1 349.544 3.122 20 0 EGADMP C[N@H+]1CCCC[C@H]1CCN1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798891 460268036 /nfs/dbraw/zinc/26/80/36/460268036.db2.gz HPXXKNDJBPISLK-LAUBAEHRSA-N 2 1 342.483 3.361 20 0 EGADMP CN1CCCC[C@H]1CC[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798891 460268045 /nfs/dbraw/zinc/26/80/45/460268045.db2.gz HPXXKNDJBPISLK-LAUBAEHRSA-N 2 1 342.483 3.361 20 0 EGADMP CN1CCCC[C@H]1CC[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798891 460268049 /nfs/dbraw/zinc/26/80/49/460268049.db2.gz HPXXKNDJBPISLK-LAUBAEHRSA-N 2 1 342.483 3.361 20 0 EGADMP CC(C)=C[C@H]1[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1(C)C ZINC000619176725 460290196 /nfs/dbraw/zinc/29/01/96/460290196.db2.gz IJMZLPAELJRHLH-YJBOKZPZSA-N 2 1 342.487 3.010 20 0 EGADMP c1ccc(C[NH+]2CCC(Nc3nc(N4CCCC4)cc[nH+]3)CC2)cc1 ZINC000603368413 460292100 /nfs/dbraw/zinc/29/21/00/460292100.db2.gz CXLSCFRQDUCADM-UHFFFAOYSA-N 2 1 337.471 3.153 20 0 EGADMP CCCOc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000603517430 460315072 /nfs/dbraw/zinc/31/50/72/460315072.db2.gz VTVNSGVZWUIKBQ-HXUWFJFHSA-N 2 1 332.488 3.208 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1nccc(OC)c1OC ZINC000626062661 460358093 /nfs/dbraw/zinc/35/80/93/460358093.db2.gz ANAHONALLOROAL-UHFFFAOYSA-N 2 1 343.471 3.183 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1nccc(OC)c1OC ZINC000626062661 460358096 /nfs/dbraw/zinc/35/80/96/460358096.db2.gz ANAHONALLOROAL-UHFFFAOYSA-N 2 1 343.471 3.183 20 0 EGADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062495 460358691 /nfs/dbraw/zinc/35/86/91/460358691.db2.gz UPFJLGQEDDJKLJ-IRXDYDNUSA-N 2 1 333.520 3.263 20 0 EGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000611438976 460365568 /nfs/dbraw/zinc/36/55/68/460365568.db2.gz BZOZQKJFZVNFMI-MSOLQXFVSA-N 2 1 330.472 3.358 20 0 EGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000611438976 460365572 /nfs/dbraw/zinc/36/55/72/460365572.db2.gz BZOZQKJFZVNFMI-MSOLQXFVSA-N 2 1 330.472 3.358 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)C[C@H](C)O1 ZINC000604384691 460416618 /nfs/dbraw/zinc/41/66/18/460416618.db2.gz XULJGLOSRULDFS-HDICACEKSA-N 2 1 342.527 3.497 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ncccc32)[C@H](C)C1 ZINC000631580153 460455397 /nfs/dbraw/zinc/45/53/97/460455397.db2.gz DIGBCTWWXLPSRD-IMFGXOCKSA-N 2 1 331.504 3.186 20 0 EGADMP CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634711355 460488676 /nfs/dbraw/zinc/48/86/76/460488676.db2.gz NJKUHNZLZCHCSH-IRXDYDNUSA-N 2 1 344.421 3.190 20 0 EGADMP CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634711355 460488682 /nfs/dbraw/zinc/48/86/82/460488682.db2.gz NJKUHNZLZCHCSH-IRXDYDNUSA-N 2 1 344.421 3.190 20 0 EGADMP O[C@]1(C[NH2+]C[C@H]2CCCCC2(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000634715607 460490061 /nfs/dbraw/zinc/49/00/61/460490061.db2.gz GTHJBBLDUQZRFA-MSOLQXFVSA-N 2 1 338.442 3.039 20 0 EGADMP O[C@]1(C[NH2+]C[C@H]2CCCCC2(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715607 460490066 /nfs/dbraw/zinc/49/00/66/460490066.db2.gz GTHJBBLDUQZRFA-MSOLQXFVSA-N 2 1 338.442 3.039 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000631667730 460501871 /nfs/dbraw/zinc/50/18/71/460501871.db2.gz RNXVQBKIVPQZKE-YVWKXTFCSA-N 2 1 338.499 3.155 20 0 EGADMP COc1ccncc1C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000629524080 460795744 /nfs/dbraw/zinc/79/57/44/460795744.db2.gz KWFVOEGXRDTVOH-GOSISDBHSA-N 2 1 343.496 3.296 20 0 EGADMP COc1ccncc1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000629524080 460795752 /nfs/dbraw/zinc/79/57/52/460795752.db2.gz KWFVOEGXRDTVOH-GOSISDBHSA-N 2 1 343.496 3.296 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(C)cn2)[C@@H](C)C1 ZINC000624112749 460865576 /nfs/dbraw/zinc/86/55/76/460865576.db2.gz KCEFDTJFSWJUHW-RBUKOAKNSA-N 2 1 347.547 3.394 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000632902101 460877735 /nfs/dbraw/zinc/87/77/35/460877735.db2.gz MZOLOIKDPZXRDG-ZBFHGGJFSA-N 2 1 341.459 3.008 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000632902099 460877916 /nfs/dbraw/zinc/87/79/16/460877916.db2.gz MZOLOIKDPZXRDG-GOEBONIOSA-N 2 1 341.459 3.008 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000632902100 460878340 /nfs/dbraw/zinc/87/83/40/460878340.db2.gz MZOLOIKDPZXRDG-HOCLYGCPSA-N 2 1 341.459 3.008 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ncc(-c4cccs4)o3)C2)C1 ZINC000652349350 461141882 /nfs/dbraw/zinc/14/18/82/461141882.db2.gz LMZPKLGDXGCFQC-KFWWJZLASA-N 2 1 347.484 3.121 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350923 461144690 /nfs/dbraw/zinc/14/46/90/461144690.db2.gz WRBHIEJYEWONPA-KUDFPVQQSA-N 2 1 337.467 3.228 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350923 461144695 /nfs/dbraw/zinc/14/46/95/461144695.db2.gz WRBHIEJYEWONPA-KUDFPVQQSA-N 2 1 337.467 3.228 20 0 EGADMP C[C@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290937 461168191 /nfs/dbraw/zinc/16/81/91/461168191.db2.gz AFJCWFOISHZKBJ-SJLPKXTDSA-N 2 1 339.487 3.040 20 0 EGADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662293225 461170550 /nfs/dbraw/zinc/17/05/50/461170550.db2.gz DNWSQMVJRNLPHB-AEFFLSMTSA-N 2 1 329.488 3.034 20 0 EGADMP Cc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)no1 ZINC000662295669 461175136 /nfs/dbraw/zinc/17/51/36/461175136.db2.gz WHYJTXYVVKCVEK-KRWDZBQOSA-N 2 1 340.471 3.257 20 0 EGADMP Cc1ccccc1-c1nc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)no1 ZINC000662295669 461175146 /nfs/dbraw/zinc/17/51/46/461175146.db2.gz WHYJTXYVVKCVEK-KRWDZBQOSA-N 2 1 340.471 3.257 20 0 EGADMP Cc1cccc(-c2noc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662298344 461175387 /nfs/dbraw/zinc/17/53/87/461175387.db2.gz VPNMIJISAYZABB-SFHVURJKSA-N 2 1 340.471 3.257 20 0 EGADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297760 461176615 /nfs/dbraw/zinc/17/66/15/461176615.db2.gz RNXIJHRSVOONSP-MJGOQNOKSA-N 2 1 343.515 3.342 20 0 EGADMP CC[C@H](OCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000649566129 461179247 /nfs/dbraw/zinc/17/92/47/461179247.db2.gz CSLOTPKXYNZFBC-JSXRDJHFSA-N 2 1 346.515 3.338 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312915 461183740 /nfs/dbraw/zinc/18/37/40/461183740.db2.gz AKOFAIVYUVPZEY-CXAGYDPISA-N 2 1 337.895 3.426 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000662385924 461225157 /nfs/dbraw/zinc/22/51/57/461225157.db2.gz LDSPBNYAFPJRDO-KRWDZBQOSA-N 2 1 333.520 3.154 20 0 EGADMP O=C(c1cccc2c1C[NH2+]C2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000662398304 461232236 /nfs/dbraw/zinc/23/22/36/461232236.db2.gz UHURDUMRIXZXCF-UHFFFAOYSA-N 2 1 341.499 3.018 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000633802786 461279789 /nfs/dbraw/zinc/27/97/89/461279789.db2.gz JVZFNJZSHDUUFG-YQVWRLOYSA-N 2 1 345.531 3.037 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000638178100 461291668 /nfs/dbraw/zinc/29/16/68/461291668.db2.gz FMOLIXQZIMUFGN-CRSSMBPESA-N 2 1 328.500 3.364 20 0 EGADMP CC1(C)CC([NH2+]Cc2ccccc2OCCCCO)CC(C)(C)[NH2+]1 ZINC000641703450 461328784 /nfs/dbraw/zinc/32/87/84/461328784.db2.gz SZCQPFTXTLGARN-UHFFFAOYSA-N 2 1 334.504 3.237 20 0 EGADMP Fc1ccc(SCCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655688941 461363850 /nfs/dbraw/zinc/36/38/50/461363850.db2.gz BIOAEAXBTJEUCZ-KRWDZBQOSA-N 2 1 338.492 3.151 20 0 EGADMP Fc1ccc(C2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000655695272 461367897 /nfs/dbraw/zinc/36/78/97/461367897.db2.gz VXHNRYNTYRQVTB-IBGZPJMESA-N 2 1 332.463 3.090 20 0 EGADMP C[C@@H](OCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655698794 461369542 /nfs/dbraw/zinc/36/95/42/461369542.db2.gz VWKPNTHNAZHPTA-WIYYLYMNSA-N 2 1 346.515 3.387 20 0 EGADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000641804781 461381087 /nfs/dbraw/zinc/38/10/87/461381087.db2.gz JQNYLKMSORZGBE-NEPJUHHUSA-N 2 1 349.784 3.013 20 0 EGADMP c1[nH]c2ccccc2c1CCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655713027 461381739 /nfs/dbraw/zinc/38/17/39/461381739.db2.gz YKHUDWUSPDQHBN-IBGZPJMESA-N 2 1 341.499 3.334 20 0 EGADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000638365952 461390341 /nfs/dbraw/zinc/39/03/41/461390341.db2.gz FCFLAVLWLCLNJE-UHFFFAOYSA-N 2 1 348.384 3.169 20 0 EGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000655722761 461391441 /nfs/dbraw/zinc/39/14/41/461391441.db2.gz HWLMQDNDHPRXFU-INIZCTEOSA-N 2 1 330.451 3.141 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000655722761 461391448 /nfs/dbraw/zinc/39/14/48/461391448.db2.gz HWLMQDNDHPRXFU-INIZCTEOSA-N 2 1 330.451 3.141 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652871580 461395076 /nfs/dbraw/zinc/39/50/76/461395076.db2.gz NSGNVJREPLAKHF-SFHVURJKSA-N 2 1 347.528 3.297 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652871580 461395084 /nfs/dbraw/zinc/39/50/84/461395084.db2.gz NSGNVJREPLAKHF-SFHVURJKSA-N 2 1 347.528 3.297 20 0 EGADMP C[C@H](CCOCc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655768941 461432719 /nfs/dbraw/zinc/43/27/19/461432719.db2.gz SQXQXPIJOUNKBJ-NQIIRXRSSA-N 2 1 346.515 3.215 20 0 EGADMP c1ccc2c(c1)SC[C@@H]2C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655771624 461435648 /nfs/dbraw/zinc/43/56/48/461435648.db2.gz NZIGNDCYCMXUEE-DOTOQJQBSA-N 2 1 332.513 3.109 20 0 EGADMP c1ccc([C@@H]2CCC[C@H]2C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655771421 461436422 /nfs/dbraw/zinc/43/64/22/461436422.db2.gz KKDKXDIZVUFLQL-JBACZVJFSA-N 2 1 328.500 3.413 20 0 EGADMP c1ccc2c(c1)CC[C@H]2CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655772653 461438866 /nfs/dbraw/zinc/43/88/66/461438866.db2.gz ZDIRCEPWKGXQCJ-ICSRJNTNSA-N 2 1 328.500 3.340 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2nc3ccccc3o2)cc1 ZINC000638520723 461465183 /nfs/dbraw/zinc/46/51/83/461465183.db2.gz OIVFAGHYZVVDAQ-UHFFFAOYSA-N 2 1 339.439 3.448 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CCCO1 ZINC000666132754 461465855 /nfs/dbraw/zinc/46/58/55/461465855.db2.gz IOASEJQTOSHXKP-NVXWUHKLSA-N 2 1 336.907 3.288 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CCCO1 ZINC000666132754 461465863 /nfs/dbraw/zinc/46/58/63/461465863.db2.gz IOASEJQTOSHXKP-NVXWUHKLSA-N 2 1 336.907 3.288 20 0 EGADMP C[C@H](CN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)[NH+](C)C1CC1 ZINC000638574767 461491442 /nfs/dbraw/zinc/49/14/42/461491442.db2.gz HRGQNXRSOFCDKC-BLIXFSHQSA-N 2 1 327.516 3.427 20 0 EGADMP C[C@H](CN[C@@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1)[N@H+](C)C1CC1 ZINC000638574767 461491450 /nfs/dbraw/zinc/49/14/50/461491450.db2.gz HRGQNXRSOFCDKC-BLIXFSHQSA-N 2 1 327.516 3.427 20 0 EGADMP C[C@H](CN[C@@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000638574767 461491456 /nfs/dbraw/zinc/49/14/56/461491456.db2.gz HRGQNXRSOFCDKC-BLIXFSHQSA-N 2 1 327.516 3.427 20 0 EGADMP Cc1ccccc1C[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000642341748 461500649 /nfs/dbraw/zinc/50/06/49/461500649.db2.gz UIKCBZWYAZKZPE-QFIPXVFZSA-N 2 1 337.511 3.463 20 0 EGADMP CCO[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000649991451 461503272 /nfs/dbraw/zinc/50/32/72/461503272.db2.gz BUNNIVGEJNUVAK-JVSBHGNQSA-N 2 1 340.552 3.260 20 0 EGADMP CCO[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000649991451 461503279 /nfs/dbraw/zinc/50/32/79/461503279.db2.gz BUNNIVGEJNUVAK-JVSBHGNQSA-N 2 1 340.552 3.260 20 0 EGADMP CCO[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000649991451 461503283 /nfs/dbraw/zinc/50/32/83/461503283.db2.gz BUNNIVGEJNUVAK-JVSBHGNQSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]CC2)c1 ZINC000653111214 461506760 /nfs/dbraw/zinc/50/67/60/461506760.db2.gz JEPDOVORXYYQST-QGZVFWFLSA-N 2 1 340.471 3.383 20 0 EGADMP CC(C)(C)C(=O)N1CCC[C@H](C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000659957852 461516193 /nfs/dbraw/zinc/51/61/93/461516193.db2.gz YIYOYQBEUAOMRJ-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000659979173 461527015 /nfs/dbraw/zinc/52/70/15/461527015.db2.gz JFGVKWBMWYJMCA-OAHLLOKOSA-N 2 1 333.501 3.229 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000659979173 461527021 /nfs/dbraw/zinc/52/70/21/461527021.db2.gz JFGVKWBMWYJMCA-OAHLLOKOSA-N 2 1 333.501 3.229 20 0 EGADMP COC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000638781680 461576228 /nfs/dbraw/zinc/57/62/28/461576228.db2.gz HWWSOIQTEZORIS-AZUAARDMSA-N 2 1 344.499 3.140 20 0 EGADMP COC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000638781680 461576239 /nfs/dbraw/zinc/57/62/39/461576239.db2.gz HWWSOIQTEZORIS-AZUAARDMSA-N 2 1 344.499 3.140 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCc1nsc2ccccc21 ZINC000660117135 461591714 /nfs/dbraw/zinc/59/17/14/461591714.db2.gz MNQLTGVPYGNHBH-OLMNPRSZSA-N 2 1 345.512 3.022 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCc1nsc2ccccc21 ZINC000660117135 461591723 /nfs/dbraw/zinc/59/17/23/461591723.db2.gz MNQLTGVPYGNHBH-OLMNPRSZSA-N 2 1 345.512 3.022 20 0 EGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638853805 461618718 /nfs/dbraw/zinc/61/87/18/461618718.db2.gz KGAHJCNFNCBRPK-LPHOPBHVSA-N 2 1 331.504 3.064 20 0 EGADMP CC(C)C[N@@H+](C)CCCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000650236657 461654840 /nfs/dbraw/zinc/65/48/40/461654840.db2.gz BRDXLQMXJOWNSO-LJQANCHMSA-N 2 1 346.519 3.335 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663469512 461659093 /nfs/dbraw/zinc/65/90/93/461659093.db2.gz PYFFDAHSGIVCDF-APWZRJJASA-N 2 1 346.515 3.346 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(-n2cncn2)cc1 ZINC000663469602 461660206 /nfs/dbraw/zinc/66/02/06/461660206.db2.gz QYKDINSKPNDGQS-FUHWJXTLSA-N 2 1 339.487 3.040 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)[C@H]2CCC[C@@H]21 ZINC000663476426 461663417 /nfs/dbraw/zinc/66/34/17/461663417.db2.gz ZKGZZTCGWXUSBD-RMJJICAUSA-N 2 1 336.483 3.322 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)[C@H]2CCC[C@@H]21 ZINC000663476426 461663426 /nfs/dbraw/zinc/66/34/26/461663426.db2.gz ZKGZZTCGWXUSBD-RMJJICAUSA-N 2 1 336.483 3.322 20 0 EGADMP COC[C@@H](C[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1)OC ZINC000638973288 461663592 /nfs/dbraw/zinc/66/35/92/461663592.db2.gz YXWORIWQCWRBJI-TZIWHRDSSA-N 2 1 348.531 3.176 20 0 EGADMP CC[C@@H](CC(F)F)C[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000660333696 461714783 /nfs/dbraw/zinc/71/47/83/461714783.db2.gz DHWNYDQAMZFICC-LPHOPBHVSA-N 2 1 340.458 3.237 20 0 EGADMP CC[C@@H](CC(F)F)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660333696 461714792 /nfs/dbraw/zinc/71/47/92/461714792.db2.gz DHWNYDQAMZFICC-LPHOPBHVSA-N 2 1 340.458 3.237 20 0 EGADMP CC[C@@H](CC(F)F)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660333696 461714800 /nfs/dbraw/zinc/71/48/00/461714800.db2.gz DHWNYDQAMZFICC-LPHOPBHVSA-N 2 1 340.458 3.237 20 0 EGADMP CC[C@@H](CC(F)F)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660333696 461714809 /nfs/dbraw/zinc/71/48/09/461714809.db2.gz DHWNYDQAMZFICC-LPHOPBHVSA-N 2 1 340.458 3.237 20 0 EGADMP CC[C@@H](CC(F)F)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660333696 461714819 /nfs/dbraw/zinc/71/48/19/461714819.db2.gz DHWNYDQAMZFICC-LPHOPBHVSA-N 2 1 340.458 3.237 20 0 EGADMP COc1ccc2[nH]cc(CC[NH2+][C@@H](Cc3ccccc3)[C@@H](C)[NH3+])c2c1 ZINC000643453627 461731301 /nfs/dbraw/zinc/73/13/01/461731301.db2.gz MEYSTYXWOLAOOE-VFNWGFHPSA-N 2 1 337.467 3.267 20 0 EGADMP C[C@@H]1Cc2ccccc2N1C1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000653574746 461731996 /nfs/dbraw/zinc/73/19/96/461731996.db2.gz OEVVCRRWDWRLIH-QGZVFWFLSA-N 2 1 338.499 3.268 20 0 EGADMP CC(C)(C)C(=O)N1CCC([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000643461985 461735624 /nfs/dbraw/zinc/73/56/24/461735624.db2.gz IQLHNLLLFKUYIT-OALUTQOASA-N 2 1 343.515 3.106 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC[C@@H]1[NH3+] ZINC000647498560 461737814 /nfs/dbraw/zinc/73/78/14/461737814.db2.gz KDKRYPZULDTQPY-BEFAXECRSA-N 2 1 330.451 3.187 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)CC[C@H]1[NH3+] ZINC000647498618 461737846 /nfs/dbraw/zinc/73/78/46/461737846.db2.gz LEHZFYNAVSHAEX-WMLDXEAASA-N 2 1 338.455 3.393 20 0 EGADMP Cc1ccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c(N2CCCC2)n1 ZINC000643471274 461739560 /nfs/dbraw/zinc/73/95/60/461739560.db2.gz MGQBNCKIKVPRBU-IEBWSBKVSA-N 2 1 330.520 3.391 20 0 EGADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000656451933 461749632 /nfs/dbraw/zinc/74/96/32/461749632.db2.gz OGJYMWKVYWCOKY-YJOXUAEXSA-N 2 1 334.463 3.430 20 0 EGADMP CC1([NH3+])CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000647530966 461749918 /nfs/dbraw/zinc/74/99/18/461749918.db2.gz RTXZZNDGMHELPP-UHFFFAOYSA-N 2 1 347.466 3.248 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC45CC[NH2+]CC5)[C@H]3C2)cc1 ZINC000643535018 461753882 /nfs/dbraw/zinc/75/38/82/461753882.db2.gz HICPTVJLXYOWQS-XSDIEEQYSA-N 3 1 339.527 3.019 20 0 EGADMP COCCCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543384 461756153 /nfs/dbraw/zinc/75/61/53/461756153.db2.gz MDDMGTCGGQBEDY-WOJBJXKFSA-N 2 1 346.515 3.314 20 0 EGADMP Fc1ccc(-n2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC000647542978 461757738 /nfs/dbraw/zinc/75/77/38/461757738.db2.gz FNODBJNBGBAGOU-QZTJIDSGSA-N 2 1 342.462 3.223 20 0 EGADMP c1ccc(-c2ncc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC000647543608 461759905 /nfs/dbraw/zinc/75/99/05/461759905.db2.gz QEIISEANHJVYRY-WOJBJXKFSA-N 2 1 336.483 3.355 20 0 EGADMP Cc1cc(CO)cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[nH+]1 ZINC000663694330 461759944 /nfs/dbraw/zinc/75/99/44/461759944.db2.gz PZXRYNYWGIVYCR-DNVCBOLYSA-N 2 1 325.456 3.205 20 0 EGADMP Cc1cc(CO)cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[nH+]1 ZINC000663694330 461759952 /nfs/dbraw/zinc/75/99/52/461759952.db2.gz PZXRYNYWGIVYCR-DNVCBOLYSA-N 2 1 325.456 3.205 20 0 EGADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1F ZINC000669688857 461767269 /nfs/dbraw/zinc/76/72/69/461767269.db2.gz HXQIPWIFIDYSAF-UHFFFAOYSA-N 2 1 335.511 3.454 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC(c3ncc4n3CCCC4)CC2)C1 ZINC000660434468 461777384 /nfs/dbraw/zinc/77/73/84/461777384.db2.gz GRLPCASPFPFRPT-HDICACEKSA-N 2 1 344.547 3.377 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000660434468 461777386 /nfs/dbraw/zinc/77/73/86/461777386.db2.gz GRLPCASPFPFRPT-HDICACEKSA-N 2 1 344.547 3.377 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000660434468 461777391 /nfs/dbraw/zinc/77/73/91/461777391.db2.gz GRLPCASPFPFRPT-HDICACEKSA-N 2 1 344.547 3.377 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1nc(-c3cccc(Cl)c3)no1)CC[NH2+]CC2 ZINC000643895253 461832820 /nfs/dbraw/zinc/83/28/20/461832820.db2.gz LAKYVSTVZUFGQV-CYBMUJFWSA-N 2 1 346.862 3.354 20 0 EGADMP CCC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639329134 461862721 /nfs/dbraw/zinc/86/27/21/461862721.db2.gz GTJNCNUIFNMPNF-DYXWJJEUSA-N 2 1 327.516 3.428 20 0 EGADMP CCC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639329134 461862730 /nfs/dbraw/zinc/86/27/30/461862730.db2.gz GTJNCNUIFNMPNF-DYXWJJEUSA-N 2 1 327.516 3.428 20 0 EGADMP CCC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639329134 461862738 /nfs/dbraw/zinc/86/27/38/461862738.db2.gz GTJNCNUIFNMPNF-DYXWJJEUSA-N 2 1 327.516 3.428 20 0 EGADMP Cc1nc(C[NH+]2CCC(CNc3[nH+]ccc4[nH]ccc43)CC2)oc1C ZINC000647868367 461863729 /nfs/dbraw/zinc/86/37/29/461863729.db2.gz RZTCELPJLKLGFP-UHFFFAOYSA-N 2 1 339.443 3.492 20 0 EGADMP CCC[N@@H+](CCCC1CC[NH2+]CC1)CC(=O)Nc1ccccc1OC ZINC000647872245 461865973 /nfs/dbraw/zinc/86/59/73/461865973.db2.gz LZPMKZGWRRNLOF-UHFFFAOYSA-N 2 1 347.503 3.126 20 0 EGADMP COc1ccccc1C[N@@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000647879873 461868264 /nfs/dbraw/zinc/86/82/64/461868264.db2.gz RBYFOAAKHHQGMP-FQEVSTJZSA-N 2 1 346.515 3.456 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc(OC(F)F)c3)C2)C1 ZINC000650706813 461900500 /nfs/dbraw/zinc/90/05/00/461900500.db2.gz SXMNVZVPWDEKHM-BFYDXBDKSA-N 2 1 340.414 3.006 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCCCCOc3ccccc3)C2)C1 ZINC000650707694 461901235 /nfs/dbraw/zinc/90/12/35/461901235.db2.gz KYLYLLAGWSORIN-SBHAEUEKSA-N 2 1 346.515 3.454 20 0 EGADMP C[C@H](CCc1ccccc1)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707873 461901451 /nfs/dbraw/zinc/90/14/51/461901451.db2.gz OSCXGFCCAQEPDY-BVOGOJNSSA-N 2 1 330.516 3.474 20 0 EGADMP CC(C)Cc1ncc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650707770 461901962 /nfs/dbraw/zinc/90/19/62/461901962.db2.gz MVMGHJJLVSJCHL-YQQAZPJKSA-N 2 1 337.533 3.060 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3F)C2)C1 ZINC000650707666 461902386 /nfs/dbraw/zinc/90/23/86/461902386.db2.gz KLHXRKLCCHQPKU-XGWLTEMNSA-N 2 1 326.843 3.197 20 0 EGADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709882 461903764 /nfs/dbraw/zinc/90/37/64/461903764.db2.gz VPDFHUSUDIGGRC-FPOVZHCZSA-N 2 1 337.467 3.318 20 0 EGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000647956004 461907039 /nfs/dbraw/zinc/90/70/39/461907039.db2.gz SPMJMBCVDIBNIE-KRWDZBQOSA-N 2 1 329.488 3.048 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000647956004 461907045 /nfs/dbraw/zinc/90/70/45/461907045.db2.gz SPMJMBCVDIBNIE-KRWDZBQOSA-N 2 1 329.488 3.048 20 0 EGADMP COc1cccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1OC(C)C ZINC000650718363 461909885 /nfs/dbraw/zinc/90/98/85/461909885.db2.gz IMJJVVDJJVSCLQ-UHFFFAOYSA-N 2 1 332.419 3.370 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647976103 461916513 /nfs/dbraw/zinc/91/65/13/461916513.db2.gz KCJOLKOQJIZARY-KSZLIROESA-N 2 1 329.488 3.034 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647976102 461916761 /nfs/dbraw/zinc/91/67/61/461916761.db2.gz KCJOLKOQJIZARY-BZSNNMDCSA-N 2 1 329.488 3.034 20 0 EGADMP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647974960 461917393 /nfs/dbraw/zinc/91/73/93/461917393.db2.gz DIMQDSUBFSZPDM-HZPDHXFCSA-N 2 1 349.906 3.299 20 0 EGADMP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976312 461918822 /nfs/dbraw/zinc/91/88/22/461918822.db2.gz MZOPVUDDQABHNF-PMPSAXMXSA-N 2 1 340.471 3.108 20 0 EGADMP Cn1c2ccccc2nc1CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660676955 461921768 /nfs/dbraw/zinc/92/17/68/461921768.db2.gz VOMVFNGCPWUSLL-UHFFFAOYSA-N 2 1 348.494 3.370 20 0 EGADMP C[NH+]1CCC2(CC1)C[N@H+]([C@@H]1CC[C@@](C)(c3ccccc3)C1)CCO2 ZINC000648072090 461970224 /nfs/dbraw/zinc/97/02/24/461970224.db2.gz KWGRMEUBERXBMV-WOJBJXKFSA-N 2 1 328.500 3.293 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657314181 462039102 /nfs/dbraw/zinc/03/91/02/462039102.db2.gz XKJNFFFTNFIPLJ-LVCYWYKZSA-N 2 1 346.515 3.312 20 0 EGADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccc(F)c(F)c2F)c1 ZINC000657315962 462039290 /nfs/dbraw/zinc/03/92/90/462039290.db2.gz WAGKWIQHPWIPBN-UHFFFAOYSA-N 2 1 338.373 3.334 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000657318821 462042663 /nfs/dbraw/zinc/04/26/63/462042663.db2.gz OUUVDLNIMXNWGS-MRXNPFEDSA-N 2 1 332.488 3.064 20 0 EGADMP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681864 462056038 /nfs/dbraw/zinc/05/60/38/462056038.db2.gz GEFWEVVCRUGZAP-MRXNPFEDSA-N 2 1 349.438 3.405 20 0 EGADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681864 462056044 /nfs/dbraw/zinc/05/60/44/462056044.db2.gz GEFWEVVCRUGZAP-MRXNPFEDSA-N 2 1 349.438 3.405 20 0 EGADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccc(F)c(F)c1F ZINC000657336954 462056343 /nfs/dbraw/zinc/05/63/43/462056343.db2.gz BTQTWVIMKZDAOE-UHFFFAOYSA-N 2 1 338.373 3.334 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657346299 462061497 /nfs/dbraw/zinc/06/14/97/462061497.db2.gz ARFOAJHUTSIBDJ-LLVKDONJSA-N 2 1 327.350 3.358 20 0 EGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657383071 462086558 /nfs/dbraw/zinc/08/65/58/462086558.db2.gz GYLXVNHUIBESQX-UHFFFAOYSA-N 2 1 333.501 3.275 20 0 EGADMP Cc1c(Br)cncc1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000657435505 462120947 /nfs/dbraw/zinc/12/09/47/462120947.db2.gz PYBATOCFFUTXML-UHFFFAOYSA-N 2 1 340.309 3.364 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)C[C@H]1C ZINC000667664829 462200126 /nfs/dbraw/zinc/20/01/26/462200126.db2.gz UENOTVZBGOTSHP-IMFGXOCKSA-N 2 1 332.488 3.159 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)C[C@H]1C ZINC000667664829 462200129 /nfs/dbraw/zinc/20/01/29/462200129.db2.gz UENOTVZBGOTSHP-IMFGXOCKSA-N 2 1 332.488 3.159 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)C[C@H]1C ZINC000667664829 462200131 /nfs/dbraw/zinc/20/01/31/462200131.db2.gz UENOTVZBGOTSHP-IMFGXOCKSA-N 2 1 332.488 3.159 20 0 EGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000667676922 462208353 /nfs/dbraw/zinc/20/83/53/462208353.db2.gz CJEYGLNCLBOAGE-MJGOQNOKSA-N 2 1 334.504 3.264 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000667676922 462208359 /nfs/dbraw/zinc/20/83/59/462208359.db2.gz CJEYGLNCLBOAGE-MJGOQNOKSA-N 2 1 334.504 3.264 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000667676922 462208364 /nfs/dbraw/zinc/20/83/64/462208364.db2.gz CJEYGLNCLBOAGE-MJGOQNOKSA-N 2 1 334.504 3.264 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000667676922 462208370 /nfs/dbraw/zinc/20/83/70/462208370.db2.gz CJEYGLNCLBOAGE-MJGOQNOKSA-N 2 1 334.504 3.264 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000667681972 462210959 /nfs/dbraw/zinc/21/09/59/462210959.db2.gz WNLBEAIPMGRATF-FXAWDEMLSA-N 2 1 346.515 3.264 20 0 EGADMP COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000667681972 462210969 /nfs/dbraw/zinc/21/09/69/462210969.db2.gz WNLBEAIPMGRATF-FXAWDEMLSA-N 2 1 346.515 3.264 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000667681972 462210971 /nfs/dbraw/zinc/21/09/71/462210971.db2.gz WNLBEAIPMGRATF-FXAWDEMLSA-N 2 1 346.515 3.264 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000667681972 462210979 /nfs/dbraw/zinc/21/09/79/462210979.db2.gz WNLBEAIPMGRATF-FXAWDEMLSA-N 2 1 346.515 3.264 20 0 EGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667681434 462211880 /nfs/dbraw/zinc/21/18/80/462211880.db2.gz JHGGPCJDMFRAOE-PZJWPPBQSA-N 2 1 344.499 3.018 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667681434 462211881 /nfs/dbraw/zinc/21/18/81/462211881.db2.gz JHGGPCJDMFRAOE-PZJWPPBQSA-N 2 1 344.499 3.018 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667681434 462211884 /nfs/dbraw/zinc/21/18/84/462211884.db2.gz JHGGPCJDMFRAOE-PZJWPPBQSA-N 2 1 344.499 3.018 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667681434 462211886 /nfs/dbraw/zinc/21/18/86/462211886.db2.gz JHGGPCJDMFRAOE-PZJWPPBQSA-N 2 1 344.499 3.018 20 0 EGADMP CCO[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000648741028 462255818 /nfs/dbraw/zinc/25/58/18/462255818.db2.gz KZZVDRYYAJXTFE-GHTZIAJQSA-N 2 1 346.515 3.408 20 0 EGADMP C[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000657843944 462293964 /nfs/dbraw/zinc/29/39/64/462293964.db2.gz SXEBTOQAGUQDME-QGZVFWFLSA-N 2 1 341.503 3.221 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnnn1-c1ccccc1 ZINC000651678514 462300570 /nfs/dbraw/zinc/30/05/70/462300570.db2.gz SOGHWZRIGFXKTP-QGZVFWFLSA-N 2 1 327.476 3.012 20 0 EGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CCCn4nccc43)C2)c1 ZINC000657861134 462300617 /nfs/dbraw/zinc/30/06/17/462300617.db2.gz PHCCDPLTGMNZAY-WBVHZDCISA-N 2 1 330.501 3.281 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CCCn4nccc43)C2)c1 ZINC000657861134 462300620 /nfs/dbraw/zinc/30/06/20/462300620.db2.gz PHCCDPLTGMNZAY-WBVHZDCISA-N 2 1 330.501 3.281 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc3c2CCC3)C1 ZINC000651758895 462327214 /nfs/dbraw/zinc/32/72/14/462327214.db2.gz ROQNEXOUCWBZRA-OAQYLSRUSA-N 2 1 336.479 3.032 20 0 EGADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(CC[C@H]2CCCC[NH+]2C)C1 ZINC000661645428 462345767 /nfs/dbraw/zinc/34/57/67/462345767.db2.gz RBKGYKMYAUMFOH-RTWAWAEBSA-N 2 1 329.532 3.110 20 0 EGADMP C[NH+](CCc1ccccc1)[C@H]1CCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000661645428 462345770 /nfs/dbraw/zinc/34/57/70/462345770.db2.gz RBKGYKMYAUMFOH-RTWAWAEBSA-N 2 1 329.532 3.110 20 0 EGADMP C[NH+](CCc1ccccc1)[C@H]1CCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000661645428 462345774 /nfs/dbraw/zinc/34/57/74/462345774.db2.gz RBKGYKMYAUMFOH-RTWAWAEBSA-N 2 1 329.532 3.110 20 0 EGADMP CC[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658076294 462372449 /nfs/dbraw/zinc/37/24/49/462372449.db2.gz IUISCVYTMKHQHA-ICSRJNTNSA-N 2 1 334.479 3.380 20 0 EGADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3c(C4CC4)cnn3C)CC2)C1 ZINC000658213802 462432093 /nfs/dbraw/zinc/43/20/93/462432093.db2.gz UKHGODUUQLHSBT-MAUKXSAKSA-N 2 1 330.520 3.430 20 0 EGADMP C[C@H](c1cccc2ccccc21)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640991267 462536858 /nfs/dbraw/zinc/53/68/58/462536858.db2.gz GBUYISDEQAVFIF-MRXNPFEDSA-N 2 1 349.482 3.006 20 0 EGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(NC[C@@H]2CCC[C@H]([NH3+])C2)cc[nH+]1 ZINC000514593854 467941728 /nfs/dbraw/zinc/94/17/28/467941728.db2.gz YZWDZINAVWMIGX-CVYDXHPNSA-N 2 1 347.507 3.022 20 0 EGADMP COc1ccccc1C[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178034282 534117080 /nfs/dbraw/zinc/11/70/80/534117080.db2.gz DNYAXPBYUZKVRQ-OKZBNKHCSA-N 2 1 334.504 3.105 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000129151075 534447517 /nfs/dbraw/zinc/44/75/17/534447517.db2.gz MZOCSTPBGWMMPK-ZETOZRRWSA-N 2 1 329.257 3.407 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000129151075 534447525 /nfs/dbraw/zinc/44/75/25/534447525.db2.gz MZOCSTPBGWMMPK-ZETOZRRWSA-N 2 1 329.257 3.407 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000181250096 534448012 /nfs/dbraw/zinc/44/80/12/534448012.db2.gz JCGUMFGZXSQZQG-NPSOMJIGSA-N 2 1 339.886 3.376 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163932882 534448122 /nfs/dbraw/zinc/44/81/22/534448122.db2.gz ARUFQGYLPKFYLC-LQWHRVPQSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163932882 534448126 /nfs/dbraw/zinc/44/81/26/534448126.db2.gz ARUFQGYLPKFYLC-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163932882 534448136 /nfs/dbraw/zinc/44/81/36/534448136.db2.gz ARUFQGYLPKFYLC-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163932882 534448142 /nfs/dbraw/zinc/44/81/42/534448142.db2.gz ARUFQGYLPKFYLC-LQWHRVPQSA-N 2 1 329.532 3.491 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000173924129 527819110 /nfs/dbraw/zinc/81/91/10/527819110.db2.gz SKMWTKPWLKXWNX-FQEVSTJZSA-N 2 1 339.483 3.434 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000173924129 527819116 /nfs/dbraw/zinc/81/91/16/527819116.db2.gz SKMWTKPWLKXWNX-FQEVSTJZSA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000173924129 527819118 /nfs/dbraw/zinc/81/91/18/527819118.db2.gz SKMWTKPWLKXWNX-FQEVSTJZSA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000173924129 527819124 /nfs/dbraw/zinc/81/91/24/527819124.db2.gz SKMWTKPWLKXWNX-FQEVSTJZSA-N 2 1 339.483 3.434 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+](Cc2cccc(O)c2)CC2CC2)CC1 ZINC000191493016 529042213 /nfs/dbraw/zinc/04/22/13/529042213.db2.gz UNJNAQZVQFGOEH-UHFFFAOYSA-N 2 1 345.531 3.020 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCOc3cc(C)ccc32)CC1 ZINC000154467633 529143413 /nfs/dbraw/zinc/14/34/13/529143413.db2.gz YNRKKXXEOPMYMD-FQEVSTJZSA-N 2 1 345.531 3.216 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3ccc(C)cc32)CC1 ZINC000166147167 529143675 /nfs/dbraw/zinc/14/36/75/529143675.db2.gz KXOVCTBQBGGOAA-NRFANRHFSA-N 2 1 329.532 3.380 20 0 EGADMP CCC(CC)[C@H](CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+](C)C ZINC000246996545 535147400 /nfs/dbraw/zinc/14/74/00/535147400.db2.gz KLXSRHYJIFKITM-QMMLZNLJSA-N 2 1 346.563 3.248 20 0 EGADMP CCC(CC)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+](C)C ZINC000246996545 535147403 /nfs/dbraw/zinc/14/74/03/535147403.db2.gz KLXSRHYJIFKITM-QMMLZNLJSA-N 2 1 346.563 3.248 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000265134587 535215488 /nfs/dbraw/zinc/21/54/88/535215488.db2.gz JYEIUQMKIFMITN-OAQYLSRUSA-N 2 1 348.531 3.008 20 0 EGADMP Cc1ncsc1CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109715 546583528 /nfs/dbraw/zinc/58/35/28/546583528.db2.gz OHMXLEIVRKBNDR-GOSISDBHSA-N 2 1 329.513 3.448 20 0 EGADMP Cc1ncsc1CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109715 546583535 /nfs/dbraw/zinc/58/35/35/546583535.db2.gz OHMXLEIVRKBNDR-GOSISDBHSA-N 2 1 329.513 3.448 20 0 EGADMP Cc1ncsc1CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109715 546583543 /nfs/dbraw/zinc/58/35/43/546583543.db2.gz OHMXLEIVRKBNDR-GOSISDBHSA-N 2 1 329.513 3.448 20 0 EGADMP C[C@@H](CCN1CCOC2(CCCC2)C1)[N@H+]1CCOC2(CCCC2)C1 ZINC000155090845 546898992 /nfs/dbraw/zinc/89/89/92/546898992.db2.gz WTZNTIJHBCFABH-SFHVURJKSA-N 2 1 336.520 3.055 20 0 EGADMP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166204042 546987284 /nfs/dbraw/zinc/98/72/84/546987284.db2.gz WCEIEVVERXXTSA-NHCUHLMSSA-N 3 1 327.516 3.176 20 0 EGADMP Cc1ccccc1CN1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166204042 546987288 /nfs/dbraw/zinc/98/72/88/546987288.db2.gz WCEIEVVERXXTSA-NHCUHLMSSA-N 2 1 327.516 3.176 20 0 EGADMP Cc1ccccc1CN1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166204042 546987292 /nfs/dbraw/zinc/98/72/92/546987292.db2.gz WCEIEVVERXXTSA-NHCUHLMSSA-N 2 1 327.516 3.176 20 0 EGADMP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000166293577 546988432 /nfs/dbraw/zinc/98/84/32/546988432.db2.gz QOWCPWLPAZFRQM-RBUKOAKNSA-N 2 1 328.500 3.260 20 0 EGADMP CC(C)CO[C@@H]1CC[NH+]([C@H](C)CC[N@@H+]2CC[C@@H](OCC(C)C)C2)C1 ZINC000245677439 547267226 /nfs/dbraw/zinc/26/72/26/547267226.db2.gz IMMFQCDSRPKDST-VAMGGRTRSA-N 2 1 340.552 3.259 20 0 EGADMP CC(C)CO[C@@H]1CC[NH+](CC[C@@H](C)[N@@H+]2CC[C@@H](OCC(C)C)C2)C1 ZINC000245677439 547267232 /nfs/dbraw/zinc/26/72/32/547267232.db2.gz IMMFQCDSRPKDST-VAMGGRTRSA-N 2 1 340.552 3.259 20 0 EGADMP CC(C)CO[C@@H]1CC[NH+](CC[C@@H](C)[N@H+]2CC[C@@H](OCC(C)C)C2)C1 ZINC000245677439 547267237 /nfs/dbraw/zinc/26/72/37/547267237.db2.gz IMMFQCDSRPKDST-VAMGGRTRSA-N 2 1 340.552 3.259 20 0 EGADMP c1cc([C@@H]2CCC[NH+]2CCCCC[N@H+]2CCC[C@H]2c2cc[nH]n2)n[nH]1 ZINC000286011112 547390636 /nfs/dbraw/zinc/39/06/36/547390636.db2.gz GWXZJGFGNDKVIS-OALUTQOASA-N 2 1 342.491 3.277 20 0 EGADMP C[C@@H]([NH2+]CC1(CO)CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310119083 547461820 /nfs/dbraw/zinc/46/18/20/547461820.db2.gz HRKNMGGMVCGWFM-QUCCMNQESA-N 2 1 330.516 3.429 20 0 EGADMP Cc1ccc([C@H](CNC(=O)CC[N@@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)o1 ZINC000339253882 547572294 /nfs/dbraw/zinc/57/22/94/547572294.db2.gz FLYNXPRFRYCAOS-WMZOPIPTSA-N 2 1 347.503 3.106 20 0 EGADMP COC[C@@H]1CCCC[N@@H+](CC[C@H](C)[NH+]2CCCC[C@H](COC)C2)C1 ZINC000342573021 547596112 /nfs/dbraw/zinc/59/61/12/547596112.db2.gz UBBBDRDTJUMPEO-ZCNNSNEGSA-N 2 1 340.552 3.262 20 0 EGADMP COC[C@@H]1CCCC[NH+](CC[C@H](C)[N@@H+]2CCCC[C@H](COC)C2)C1 ZINC000342573021 547596118 /nfs/dbraw/zinc/59/61/18/547596118.db2.gz UBBBDRDTJUMPEO-ZCNNSNEGSA-N 2 1 340.552 3.262 20 0 EGADMP COC[C@@H]1CCCC[NH+](CC[C@H](C)[N@H+]2CCCC[C@H](COC)C2)C1 ZINC000342573021 547596121 /nfs/dbraw/zinc/59/61/21/547596121.db2.gz UBBBDRDTJUMPEO-ZCNNSNEGSA-N 2 1 340.552 3.262 20 0 EGADMP Cc1cccc(C)c1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425946952 547886285 /nfs/dbraw/zinc/88/62/85/547886285.db2.gz YNMKPUNEHNPPDH-JOCHJYFZSA-N 2 1 338.495 3.372 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425946952 547886289 /nfs/dbraw/zinc/88/62/89/547886289.db2.gz YNMKPUNEHNPPDH-JOCHJYFZSA-N 2 1 338.495 3.372 20 0 EGADMP Cc1cccc(C)c1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425946952 547886293 /nfs/dbraw/zinc/88/62/93/547886293.db2.gz YNMKPUNEHNPPDH-JOCHJYFZSA-N 2 1 338.495 3.372 20 0 EGADMP Cc1cccc(C)c1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425946952 547886297 /nfs/dbraw/zinc/88/62/97/547886297.db2.gz YNMKPUNEHNPPDH-JOCHJYFZSA-N 2 1 338.495 3.372 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000530355003 548036696 /nfs/dbraw/zinc/03/66/96/548036696.db2.gz RTOZVMKYBAUBRY-MRXNPFEDSA-N 2 1 334.261 3.392 20 0 EGADMP C[C@@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C(C)(C)C ZINC000670267183 548194254 /nfs/dbraw/zinc/19/42/54/548194254.db2.gz UXCPONJQFCJZKZ-QFBILLFUSA-N 2 1 345.531 3.156 20 0 EGADMP C[C@@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C(C)(C)C ZINC000670267182 548194431 /nfs/dbraw/zinc/19/44/31/548194431.db2.gz UXCPONJQFCJZKZ-LPHOPBHVSA-N 2 1 345.531 3.156 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(OC)cc1 ZINC000675883197 548996976 /nfs/dbraw/zinc/99/69/76/548996976.db2.gz XSQHFXHDIHOJOQ-PMACEKPBSA-N 2 1 332.488 3.379 20 0 EGADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000675935247 549007055 /nfs/dbraw/zinc/00/70/55/549007055.db2.gz FMXHJMMCVHLKSU-AEFFLSMTSA-N 2 1 334.479 3.237 20 0 EGADMP C[C@@H]([NH2+]Cc1cnnn1-c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000676462059 549091492 /nfs/dbraw/zinc/09/14/92/549091492.db2.gz ZQCUIJZCHROKRU-SJORKVTESA-N 2 1 339.487 3.010 20 0 EGADMP C[C@@H]([NH2+]Cc1cnnn1-c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000676462059 549091496 /nfs/dbraw/zinc/09/14/96/549091496.db2.gz ZQCUIJZCHROKRU-SJORKVTESA-N 2 1 339.487 3.010 20 0 EGADMP Cc1nc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)s1 ZINC000676840034 549165183 /nfs/dbraw/zinc/16/51/83/549165183.db2.gz WFUPOIAFMFVVGN-HZSPNIEDSA-N 2 1 325.522 3.300 20 0 EGADMP CCc1oc2ccccc2c1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000678258869 549448491 /nfs/dbraw/zinc/44/84/91/549448491.db2.gz QDYIBTQKUOQRDR-QGZVFWFLSA-N 2 1 341.499 3.207 20 0 EGADMP CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C1(C)C ZINC000678276382 549455602 /nfs/dbraw/zinc/45/56/02/549455602.db2.gz HHDBCQWQOVITLX-RBUKOAKNSA-N 2 1 334.504 3.262 20 0 EGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1nc(-c2ccccc2)no1 ZINC000678609079 549530892 /nfs/dbraw/zinc/53/08/92/549530892.db2.gz CIEAYBGONLGCPO-PVAVHDDUSA-N 2 1 326.444 3.057 20 0 EGADMP CC(C)Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000678719582 549547128 /nfs/dbraw/zinc/54/71/28/549547128.db2.gz NPSAYYNIFXBRQD-JOCHJYFZSA-N 2 1 343.559 3.485 20 0 EGADMP C[C@@H]([NH2+]CCc1ccc(CO)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679625919 549742492 /nfs/dbraw/zinc/74/24/92/549742492.db2.gz HJSOYRRAMTYSST-XMSQKQJNSA-N 2 1 338.495 3.222 20 0 EGADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccccc2)C1 ZINC000680827481 549915262 /nfs/dbraw/zinc/91/52/62/549915262.db2.gz YLCLFLVTYXJKGL-VQTJNVASSA-N 2 1 344.886 3.280 20 0 EGADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccccc2)C1 ZINC000680827481 549915264 /nfs/dbraw/zinc/91/52/64/549915264.db2.gz YLCLFLVTYXJKGL-VQTJNVASSA-N 2 1 344.886 3.280 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCc1cnn(C)c1 ZINC000682533925 550112329 /nfs/dbraw/zinc/11/23/29/550112329.db2.gz NTLHOWDUWUHBMO-WGMWDUQUSA-N 2 1 340.515 3.099 20 0 EGADMP CC[NH+](CC)CCC[NH2+][C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000683140659 550195694 /nfs/dbraw/zinc/19/56/94/550195694.db2.gz FYTDTBUPAFNKQD-INIZCTEOSA-N 2 1 332.410 3.234 20 0 EGADMP Cc1cccc2nc(N(C)[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)sc21 ZINC000684573078 550344656 /nfs/dbraw/zinc/34/46/56/550344656.db2.gz CPHXCDUWZZSZJB-MRXNPFEDSA-N 2 1 344.528 3.209 20 0 EGADMP Cc1cccc2nc(N(C)[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)sc21 ZINC000684573078 550344657 /nfs/dbraw/zinc/34/46/57/550344657.db2.gz CPHXCDUWZZSZJB-MRXNPFEDSA-N 2 1 344.528 3.209 20 0 EGADMP C[N@@H+](C/C=C\c1ccc(F)cc1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457198 550418767 /nfs/dbraw/zinc/41/87/67/550418767.db2.gz JNXOVAASSYORHQ-ZRHASKPBSA-N 2 1 349.469 3.078 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000735658302 575699170 /nfs/dbraw/zinc/69/91/70/575699170.db2.gz AVZXJMHIMRFTIR-UHFFFAOYSA-N 2 1 349.519 3.215 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2N[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000679137581 576174684 /nfs/dbraw/zinc/17/46/84/576174684.db2.gz MNFCPIHFWHQMRJ-VXIBKDFQSA-N 2 1 331.504 3.190 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2N[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000679137581 576174685 /nfs/dbraw/zinc/17/46/85/576174685.db2.gz MNFCPIHFWHQMRJ-VXIBKDFQSA-N 2 1 331.504 3.190 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000679137581 576174688 /nfs/dbraw/zinc/17/46/88/576174688.db2.gz MNFCPIHFWHQMRJ-VXIBKDFQSA-N 2 1 331.504 3.190 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000679137581 576174689 /nfs/dbraw/zinc/17/46/89/576174689.db2.gz MNFCPIHFWHQMRJ-VXIBKDFQSA-N 2 1 331.504 3.190 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)N3CCCC3)cc2)C[C@H]1C ZINC000740886099 576633923 /nfs/dbraw/zinc/63/39/23/576633923.db2.gz GGWTZYCTRPGNFX-XLIONFOSSA-N 2 1 343.515 3.227 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)N3CCCC3)cc2)C[C@H]1C ZINC000740886099 576633925 /nfs/dbraw/zinc/63/39/25/576633925.db2.gz GGWTZYCTRPGNFX-XLIONFOSSA-N 2 1 343.515 3.227 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)N3CCCC3)cc2)C[C@H]1C ZINC000740886099 576633928 /nfs/dbraw/zinc/63/39/28/576633928.db2.gz GGWTZYCTRPGNFX-XLIONFOSSA-N 2 1 343.515 3.227 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)N3CCCC3)cc2)C[C@H]1C ZINC000740886099 576633931 /nfs/dbraw/zinc/63/39/31/576633931.db2.gz GGWTZYCTRPGNFX-XLIONFOSSA-N 2 1 343.515 3.227 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)c2ccc(C)cc2)cc1F ZINC000743265092 576804714 /nfs/dbraw/zinc/80/47/14/576804714.db2.gz ZMJLOVJUHXAELZ-FQEVSTJZSA-N 2 1 339.414 3.451 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2[C@@H]3CCC[NH2+][C@H]3C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000693733557 1298151135 /nfs/dbraw/zinc/15/11/35/1298151135.db2.gz AKYSXEMJIJOQDU-GHRYLNIYSA-N 2 1 341.543 3.406 20 0 EGADMP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000010435126 1291113558 /nfs/dbraw/zinc/11/35/58/1291113558.db2.gz VZUYKMKPWIHQDJ-UHFFFAOYSA-N 2 1 340.467 3.458 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1nccc1-c1ccncc1 ZINC000067094941 1292147142 /nfs/dbraw/zinc/14/71/42/1292147142.db2.gz USMDUXJQUAZBKT-UHFFFAOYSA-N 2 1 349.482 3.486 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000097465635 1292961370 /nfs/dbraw/zinc/96/13/70/1292961370.db2.gz WIJIFZWTHITSHN-GOSISDBHSA-N 2 1 334.467 3.457 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000108428026 1293079858 /nfs/dbraw/zinc/07/98/58/1293079858.db2.gz RDRWEEXHMLXRFH-GOSISDBHSA-N 2 1 334.467 3.457 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1nc(Br)cs1 ZINC000834566292 1293117091 /nfs/dbraw/zinc/11/70/91/1293117091.db2.gz IMGUBWAUYYEQTH-VHSXEESVSA-N 2 1 343.294 3.397 20 0 EGADMP CC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)OCCO1 ZINC000834764950 1293143800 /nfs/dbraw/zinc/14/38/00/1293143800.db2.gz JKBUJSKOXLGIGB-VAMGGRTRSA-N 2 1 344.499 3.172 20 0 EGADMP CC[C@@H]1CC(=O)N(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000119285132 1293262789 /nfs/dbraw/zinc/26/27/89/1293262789.db2.gz RDZGCRLGTNJLJD-GOSISDBHSA-N 2 1 343.515 3.046 20 0 EGADMP Cc1nc(C)c(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000123617080 1293449709 /nfs/dbraw/zinc/44/97/09/1293449709.db2.gz LKPXCKUDPFZSEI-GOSISDBHSA-N 2 1 329.513 3.414 20 0 EGADMP CCOC(C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)OCC ZINC000124681859 1293482502 /nfs/dbraw/zinc/48/25/02/1293482502.db2.gz GOMOZOWCPVFJHA-KRWDZBQOSA-N 2 1 326.525 3.362 20 0 EGADMP CCOc1c(CNC[C@H]2CCC[N@@H+](CC)C2)c(C)nn1CC(C)C ZINC000125445515 1293507650 /nfs/dbraw/zinc/50/76/50/1293507650.db2.gz IQPUGRGZXBCWQE-QGZVFWFLSA-N 2 1 336.524 3.068 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(CN2CCSC2=O)CC1 ZINC000125514868 1293509671 /nfs/dbraw/zinc/50/96/71/1293509671.db2.gz CUGMBRDRIRZPES-OAHLLOKOSA-N 2 1 325.522 3.089 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2CCSC2=O)CC1 ZINC000125514868 1293509675 /nfs/dbraw/zinc/50/96/75/1293509675.db2.gz CUGMBRDRIRZPES-OAHLLOKOSA-N 2 1 325.522 3.089 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2CCSC2=O)CC1 ZINC000125514868 1293509679 /nfs/dbraw/zinc/50/96/79/1293509679.db2.gz CUGMBRDRIRZPES-OAHLLOKOSA-N 2 1 325.522 3.089 20 0 EGADMP CC(C)Oc1cccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000126816587 1293545177 /nfs/dbraw/zinc/54/51/77/1293545177.db2.gz FTBIMNGCYKIYGO-HDICACEKSA-N 2 1 334.504 3.453 20 0 EGADMP COCC[NH+]1CCC([NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000156396899 1294142491 /nfs/dbraw/zinc/14/24/91/1294142491.db2.gz MJDUWYBYXZZOPE-UHFFFAOYSA-N 2 1 333.863 3.089 20 0 EGADMP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000168512917 1294367865 /nfs/dbraw/zinc/36/78/65/1294367865.db2.gz UYHVGQPFFFMGHO-FFGOWVMKSA-N 2 1 343.515 3.015 20 0 EGADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@](C)(O)c2ccc(F)cc2F)CC1 ZINC000180899540 1294923656 /nfs/dbraw/zinc/92/36/56/1294923656.db2.gz ZSUAJYJRWKGIKL-SFHVURJKSA-N 2 1 326.431 3.025 20 0 EGADMP CC[C@@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000183410480 1295117931 /nfs/dbraw/zinc/11/79/31/1295117931.db2.gz IPMHNBLQXZZRQS-IRXDYDNUSA-N 2 1 339.524 3.240 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC[NH2+]CC1CC1 ZINC000870868019 1296121385 /nfs/dbraw/zinc/12/13/85/1296121385.db2.gz YWOQVNRLTFJMES-KRWDZBQOSA-N 2 1 343.515 3.067 20 0 EGADMP COc1cc2c(c(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1)O[C@H](C)C2 ZINC000237179329 1296226162 /nfs/dbraw/zinc/22/61/62/1296226162.db2.gz NEXWUQWEDLPZSI-KDOFPFPSSA-N 2 1 334.504 3.475 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)[C@@H](C)C1 ZINC000246858100 1296373816 /nfs/dbraw/zinc/37/38/16/1296373816.db2.gz CJAWPYVOGDBSJK-LAUBAEHRSA-N 2 1 344.547 3.041 20 0 EGADMP CCOC(C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)OCC ZINC000249370324 1296442096 /nfs/dbraw/zinc/44/20/96/1296442096.db2.gz OXQIDVCKRCDJIB-YRWFTTLQSA-N 2 1 334.504 3.132 20 0 EGADMP COc1cc(C)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1OC ZINC000261667467 1296597489 /nfs/dbraw/zinc/59/74/89/1296597489.db2.gz IVZYPNVWOJSDIX-MOPGFXCFSA-N 2 1 340.467 3.187 20 0 EGADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000262045855 1296616841 /nfs/dbraw/zinc/61/68/41/1296616841.db2.gz CIAYELSDXHPHIZ-UHFFFAOYSA-N 2 1 344.286 3.253 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cc(O)ccc1F ZINC000872024717 1296668725 /nfs/dbraw/zinc/66/87/25/1296668725.db2.gz DIJAEPPGZIYRCQ-AWEZNQCLSA-N 2 1 332.419 3.323 20 0 EGADMP CC(C)Oc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000305126633 1296983682 /nfs/dbraw/zinc/98/36/82/1296983682.db2.gz INDYYXKHSWBPFT-WOJBJXKFSA-N 2 1 346.515 3.331 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000310016430 1297082306 /nfs/dbraw/zinc/08/23/06/1297082306.db2.gz RTZXSUKIEZRUQW-VVLHAWIVSA-N 2 1 337.508 3.039 20 0 EGADMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000311199343 1297106685 /nfs/dbraw/zinc/10/66/85/1297106685.db2.gz JRUVVWLNRSVPTO-UZLBHIALSA-N 2 1 346.421 3.110 20 0 EGADMP CCOc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)ccc1OC(F)F ZINC000320785624 1297171969 /nfs/dbraw/zinc/17/19/69/1297171969.db2.gz NBBSIFNXYAJVAJ-UHFFFAOYSA-N 2 1 328.403 3.388 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)[C@H](n2cncn2)C1 ZINC000340471164 1297313713 /nfs/dbraw/zinc/31/37/13/1297313713.db2.gz CETWIQPAEAYWQF-AKHDSKFASA-N 2 1 333.524 3.110 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)[C@H](n2cncn2)C1 ZINC000340535633 1297314522 /nfs/dbraw/zinc/31/45/22/1297314522.db2.gz VNZRPNJLKAWSDY-RSPOEFSDSA-N 2 1 345.535 3.395 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873263547 1297396271 /nfs/dbraw/zinc/39/62/71/1297396271.db2.gz JIUMCDODCZBRPN-BVJIBDCISA-N 3 1 327.516 3.017 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000873263547 1297396282 /nfs/dbraw/zinc/39/62/82/1297396282.db2.gz JIUMCDODCZBRPN-BVJIBDCISA-N 2 1 327.516 3.017 20 0 EGADMP C[C@H](NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873292289 1297414205 /nfs/dbraw/zinc/41/42/05/1297414205.db2.gz AGGYDAZVGWZXKB-TZYHBYERSA-N 2 1 349.522 3.201 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CN1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000873292289 1297414208 /nfs/dbraw/zinc/41/42/08/1297414208.db2.gz AGGYDAZVGWZXKB-TZYHBYERSA-N 2 1 349.522 3.201 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CN1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873292289 1297414215 /nfs/dbraw/zinc/41/42/15/1297414215.db2.gz AGGYDAZVGWZXKB-TZYHBYERSA-N 2 1 349.522 3.201 20 0 EGADMP C[C@@H](CC[NH2+]C[C@@H](O)c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000379621069 1297535455 /nfs/dbraw/zinc/53/54/55/1297535455.db2.gz DWUJDHSECWWRAP-LAUBAEHRSA-N 2 1 337.467 3.092 20 0 EGADMP C[C@H](CCNC(=O)[C@H]([NH3+])CC1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000379664711 1297539270 /nfs/dbraw/zinc/53/92/70/1297539270.db2.gz QAJYWRGNYMQOBB-YLJYHZDGSA-N 2 1 345.531 3.311 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000379899365 1297542485 /nfs/dbraw/zinc/54/24/85/1297542485.db2.gz IFSFEPGSOJFWOX-IXDOHACOSA-N 2 1 339.524 3.286 20 0 EGADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000386303252 1297588978 /nfs/dbraw/zinc/58/89/78/1297588978.db2.gz FZHNEBMTRUHXSC-WIYYLYMNSA-N 2 1 342.458 3.361 20 0 EGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400445663 1297731579 /nfs/dbraw/zinc/73/15/79/1297731579.db2.gz PNMPLJACUHLLEK-HZPDHXFCSA-N 2 1 341.540 3.342 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400445663 1297731592 /nfs/dbraw/zinc/73/15/92/1297731592.db2.gz PNMPLJACUHLLEK-HZPDHXFCSA-N 2 1 341.540 3.342 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000404544803 1297755849 /nfs/dbraw/zinc/75/58/49/1297755849.db2.gz SNFJJIPZKSAEEF-DLBZAZTESA-N 2 1 349.519 3.039 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405248649 1297764097 /nfs/dbraw/zinc/76/40/97/1297764097.db2.gz IQDUIYOFVVJYRX-QYZOEREBSA-N 2 1 327.516 3.147 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000431038513 1297821054 /nfs/dbraw/zinc/82/10/54/1297821054.db2.gz CXKFTDBQMYBFLE-VQTJNVASSA-N 2 1 343.515 3.195 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000687673221 1298119422 /nfs/dbraw/zinc/11/94/22/1298119422.db2.gz RHLXTZMRMRYCQJ-ULQDDVLXSA-N 2 1 339.524 3.144 20 0 EGADMP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000704493326 1298207950 /nfs/dbraw/zinc/20/79/50/1298207950.db2.gz FBFARANFGONLLD-MOPGFXCFSA-N 2 1 345.531 3.167 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000708566782 1298241646 /nfs/dbraw/zinc/24/16/46/1298241646.db2.gz UBHOEDFPGGRIRR-PXNSSMCTSA-N 2 1 340.515 3.496 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000708566782 1298241661 /nfs/dbraw/zinc/24/16/61/1298241661.db2.gz UBHOEDFPGGRIRR-PXNSSMCTSA-N 2 1 340.515 3.496 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn2ccccc12 ZINC000708588441 1298242362 /nfs/dbraw/zinc/24/23/62/1298242362.db2.gz UMDGXZZFRQJCPT-PXNSSMCTSA-N 2 1 334.467 3.192 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]12CCC[C@@H]1OCC2 ZINC000720142227 1298325195 /nfs/dbraw/zinc/32/51/95/1298325195.db2.gz KDIBNBTVQAVFFD-BVOGOJNSSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720814061 1298329143 /nfs/dbraw/zinc/32/91/43/1298329143.db2.gz DLQKXGFFFMTJFI-GVVDHYSOSA-N 2 1 328.500 3.444 20 0 EGADMP C[NH+](C)CCCC1CC[NH+](Cc2cccnc2Br)CC1 ZINC000876769467 1298972816 /nfs/dbraw/zinc/97/28/16/1298972816.db2.gz YBPDZKLCYOQOCN-UHFFFAOYSA-N 2 1 340.309 3.398 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877452991 1299311476 /nfs/dbraw/zinc/31/14/76/1299311476.db2.gz UYFWGQIWMBNCKR-MJQMVNBJSA-N 2 1 335.536 3.005 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C(=O)[C@@H]3CCCCC[C@H]32)CC1 ZINC000749955608 1299313026 /nfs/dbraw/zinc/31/30/26/1299313026.db2.gz SMTLQJSVPMLFEH-RTBURBONSA-N 2 1 335.536 3.179 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2CC(C)(C)OC2=O)CC1 ZINC000755753324 1300389734 /nfs/dbraw/zinc/38/97/34/1300389734.db2.gz FCQIGVYCYPVNIG-MRXNPFEDSA-N 2 1 337.508 3.151 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2CC(C)(C)OC2=O)CC1 ZINC000755753324 1300389747 /nfs/dbraw/zinc/38/97/47/1300389747.db2.gz FCQIGVYCYPVNIG-MRXNPFEDSA-N 2 1 337.508 3.151 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(F)c1 ZINC000879248109 1300453019 /nfs/dbraw/zinc/45/30/19/1300453019.db2.gz IQXFYNLUKJSEGQ-MRXNPFEDSA-N 2 1 347.478 3.269 20 0 EGADMP FC(F)(F)[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@@H](C(F)(F)F)C2)C1 ZINC000761056449 1301395394 /nfs/dbraw/zinc/39/53/94/1301395394.db2.gz XMSLSFZHBNBPRH-NUYITTKVSA-N 2 1 330.316 3.311 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC(C)([NH+]2CCC2)CC1)c1cccc(Cl)c1 ZINC000882506664 1301996759 /nfs/dbraw/zinc/99/67/59/1301996759.db2.gz ALQLCYVHWCHBNG-QGZVFWFLSA-N 2 1 349.906 3.030 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2N)[C@H](C)C1 ZINC000883003581 1302200337 /nfs/dbraw/zinc/20/03/37/1302200337.db2.gz WLGRPEWEMSJWSW-PBHICJAKSA-N 2 1 339.911 3.149 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2N)[C@H](C)C1 ZINC000883003581 1302200344 /nfs/dbraw/zinc/20/03/44/1302200344.db2.gz WLGRPEWEMSJWSW-PBHICJAKSA-N 2 1 339.911 3.149 20 0 EGADMP C[C@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000765256037 1302230463 /nfs/dbraw/zinc/23/04/63/1302230463.db2.gz RSGFHMSJWYRQNM-MSOLQXFVSA-N 2 1 333.520 3.152 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCOc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000766000882 1302365916 /nfs/dbraw/zinc/36/59/16/1302365916.db2.gz YTNFRLRWEIYXJZ-MJGOQNOKSA-N 2 1 325.456 3.103 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCOc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000766000882 1302365926 /nfs/dbraw/zinc/36/59/26/1302365926.db2.gz YTNFRLRWEIYXJZ-MJGOQNOKSA-N 2 1 325.456 3.103 20 0 EGADMP CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000766332073 1302432352 /nfs/dbraw/zinc/43/23/52/1302432352.db2.gz SNSUBTLFVLOSKK-ULQDDVLXSA-N 2 1 339.524 3.142 20 0 EGADMP c1cc2c(cc1C[N@H+]1CCCC[C@@H](C3CCOCC3)C1)C[NH2+]CC2 ZINC000883462033 1302452688 /nfs/dbraw/zinc/45/26/88/1302452688.db2.gz INBFYOZCIXXLTE-HXUWFJFHSA-N 2 1 328.500 3.361 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)cc1 ZINC000768181615 1302847514 /nfs/dbraw/zinc/84/75/14/1302847514.db2.gz RVZQTCOEQSHTCQ-GOSISDBHSA-N 2 1 326.440 3.020 20 0 EGADMP CC[C@H](C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000769685195 1303157503 /nfs/dbraw/zinc/15/75/03/1303157503.db2.gz RCRYIROVIMKAAN-HRCADAONSA-N 2 1 327.513 3.142 20 0 EGADMP CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000769874630 1303186792 /nfs/dbraw/zinc/18/67/92/1303186792.db2.gz PWKNWZLQHFPHDP-CQSZACIVSA-N 2 1 331.460 3.337 20 0 EGADMP CC[NH+](CC)CCC[N@@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000770510099 1303279784 /nfs/dbraw/zinc/27/97/84/1303279784.db2.gz JELPAQDLWRJQHR-UHFFFAOYSA-N 2 1 341.540 3.486 20 0 EGADMP C[NH+](CCOC1CCC1)[C@H]1CC[C@H]([N@@H+](C)CCOC2CCC2)CC1 ZINC000886389546 1303454095 /nfs/dbraw/zinc/45/40/95/1303454095.db2.gz NTYGROCHCMBCCV-IYARVYRRSA-N 2 1 338.536 3.299 20 0 EGADMP C[C@H]1OCC[C@H]1C[N@@H+](C)[C@@H]1CC[C@@H]([NH+](C)C[C@H]2CCO[C@H]2C)CC1 ZINC000886386910 1303454271 /nfs/dbraw/zinc/45/42/71/1303454271.db2.gz LIVBTLUGFWTKPL-PLFGXRCESA-N 2 1 338.536 3.011 20 0 EGADMP C[C@H]1OCC[C@H]1C[NH+](C)[C@@H]1CC[C@@H]([N@H+](C)C[C@H]2CCO[C@H]2C)CC1 ZINC000886386910 1303454273 /nfs/dbraw/zinc/45/42/73/1303454273.db2.gz LIVBTLUGFWTKPL-PLFGXRCESA-N 2 1 338.536 3.011 20 0 EGADMP C[C@H]1OCC[C@H]1C[NH+](C)[C@@H]1CC[C@@H]([N@@H+](C)C[C@H]2CCO[C@H]2C)CC1 ZINC000886386910 1303454276 /nfs/dbraw/zinc/45/42/76/1303454276.db2.gz LIVBTLUGFWTKPL-PLFGXRCESA-N 2 1 338.536 3.011 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)N(C)c3ccccc3)CC2)[nH+]c1C ZINC000886670348 1303549395 /nfs/dbraw/zinc/54/93/95/1303549395.db2.gz NESOFPNXOCQILL-INIZCTEOSA-N 2 1 340.471 3.257 20 0 EGADMP CCC1([NH+]2CCC2)CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000886718417 1303578296 /nfs/dbraw/zinc/57/82/96/1303578296.db2.gz ZJFYCIPHEPMPED-HXUWFJFHSA-N 2 1 327.516 3.211 20 0 EGADMP C[C@H](COCc1ccccc1)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000886839699 1303617009 /nfs/dbraw/zinc/61/70/09/1303617009.db2.gz KMUNQOHBMUUMCM-VMXMFDLUSA-N 2 1 346.515 3.058 20 0 EGADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)cc1 ZINC000776687726 1304183257 /nfs/dbraw/zinc/18/32/57/1304183257.db2.gz OTRFWYFRMPUURF-UHFFFAOYSA-N 2 1 345.512 3.252 20 0 EGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(N[C@@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000777584467 1304321584 /nfs/dbraw/zinc/32/15/84/1304321584.db2.gz YZZRXNIKRSALMJ-ZHALLVOQSA-N 2 1 331.504 3.302 20 0 EGADMP C[C@@H]1CC[NH+](CCOc2ccc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)C1 ZINC000777584467 1304321589 /nfs/dbraw/zinc/32/15/89/1304321589.db2.gz YZZRXNIKRSALMJ-ZHALLVOQSA-N 2 1 331.504 3.302 20 0 EGADMP C[C@@H]1CC[NH+](CCOc2ccc(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)C1 ZINC000777584467 1304321593 /nfs/dbraw/zinc/32/15/93/1304321593.db2.gz YZZRXNIKRSALMJ-ZHALLVOQSA-N 2 1 331.504 3.302 20 0 EGADMP O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccco1 ZINC000779439570 1304571932 /nfs/dbraw/zinc/57/19/32/1304571932.db2.gz NXLSLBWBEVSRCY-OKYOBFRVSA-N 2 1 326.440 3.098 20 0 EGADMP CC(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000781421345 1304825517 /nfs/dbraw/zinc/82/55/17/1304825517.db2.gz PVXOLJAHFUVQCT-IVAOSVALSA-N 2 1 330.516 3.284 20 0 EGADMP CCc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH]n1 ZINC000781422959 1304826680 /nfs/dbraw/zinc/82/66/80/1304826680.db2.gz NVFOZCCUWBVPKI-DZFGPLHGSA-N 2 1 338.499 3.362 20 0 EGADMP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000891670641 1305130697 /nfs/dbraw/zinc/13/06/97/1305130697.db2.gz ILUCXZGZAZSOBX-WBVHZDCISA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnn(C)c2C2CC2)c1 ZINC000892696394 1305512627 /nfs/dbraw/zinc/51/26/27/1305512627.db2.gz HUDZDXXSXFJPCK-UHFFFAOYSA-N 2 1 326.488 3.428 20 0 EGADMP CCn1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000892738362 1305530527 /nfs/dbraw/zinc/53/05/27/1305530527.db2.gz BJTHOBIOWKGVCZ-LJQANCHMSA-N 2 1 326.488 3.213 20 0 EGADMP CCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000892738362 1305530532 /nfs/dbraw/zinc/53/05/32/1305530532.db2.gz BJTHOBIOWKGVCZ-LJQANCHMSA-N 2 1 326.488 3.213 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000892944893 1305619098 /nfs/dbraw/zinc/61/90/98/1305619098.db2.gz WDAZXLNKWXGNOX-LBPRGKRZSA-N 2 1 335.439 3.458 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)C1 ZINC000892944893 1305619105 /nfs/dbraw/zinc/61/91/05/1305619105.db2.gz WDAZXLNKWXGNOX-LBPRGKRZSA-N 2 1 335.439 3.458 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000893488113 1305920587 /nfs/dbraw/zinc/92/05/87/1305920587.db2.gz RKBCVJDAGITBPX-PZJWPPBQSA-N 2 1 336.479 3.073 20 0 EGADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000788816566 1306021680 /nfs/dbraw/zinc/02/16/80/1306021680.db2.gz SYRZDKZSSTZKMT-OXJNMPFZSA-N 2 1 325.456 3.350 20 0 EGADMP CCCCOC(=O)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789358793 1306146635 /nfs/dbraw/zinc/14/66/35/1306146635.db2.gz VOIHZHHRBINXCP-UHFFFAOYSA-N 2 1 333.476 3.132 20 0 EGADMP c1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2c(c1)CCCN2 ZINC000894093729 1306214972 /nfs/dbraw/zinc/21/49/72/1306214972.db2.gz HNLAUKYGFDTAHI-FXAWDEMLSA-N 2 1 325.500 3.493 20 0 EGADMP c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2c(c1)CCCN2 ZINC000894093729 1306214978 /nfs/dbraw/zinc/21/49/78/1306214978.db2.gz HNLAUKYGFDTAHI-FXAWDEMLSA-N 2 1 325.500 3.493 20 0 EGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000894331614 1306346769 /nfs/dbraw/zinc/34/67/69/1306346769.db2.gz HZXDCWWNPJAWJQ-LEWJYISDSA-N 2 1 339.483 3.092 20 0 EGADMP CCn1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(-c2ccccc2)n1 ZINC000894564832 1308956239 /nfs/dbraw/zinc/95/62/39/1308956239.db2.gz AMHHBTUKNVMGIQ-LJQANCHMSA-N 2 1 326.488 3.486 20 0 EGADMP CCn1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(-c2ccccc2)n1 ZINC000894564832 1308956246 /nfs/dbraw/zinc/95/62/46/1308956246.db2.gz AMHHBTUKNVMGIQ-LJQANCHMSA-N 2 1 326.488 3.486 20 0 EGADMP c1[nH+]cn2c1CC[C@H](c1nc(-c3cccc(C[NH+]4CCCC4)c3)no1)C2 ZINC000896048317 1309674085 /nfs/dbraw/zinc/67/40/85/1309674085.db2.gz MWQUITCPIFGJFS-KRWDZBQOSA-N 2 1 349.438 3.259 20 0 EGADMP COc1cccc2c1ncc(C)c2NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000896521816 1309900305 /nfs/dbraw/zinc/90/03/05/1309900305.db2.gz FVJUCAXOBYBRPL-MRXNPFEDSA-N 2 1 341.455 3.217 20 0 EGADMP Fc1ccc(/C=C\C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1F ZINC000796305712 1309960750 /nfs/dbraw/zinc/96/07/50/1309960750.db2.gz RPGHOZPMHFMAMX-MPXGXIRNSA-N 2 1 336.426 3.211 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000797116350 1310142570 /nfs/dbraw/zinc/14/25/70/1310142570.db2.gz RHULFIPMAASFRE-SJORKVTESA-N 2 1 339.524 3.240 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000797116350 1310142576 /nfs/dbraw/zinc/14/25/76/1310142576.db2.gz RHULFIPMAASFRE-SJORKVTESA-N 2 1 339.524 3.240 20 0 EGADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897065889 1310162792 /nfs/dbraw/zinc/16/27/92/1310162792.db2.gz WTUANFFIFZOOTG-GOSISDBHSA-N 2 1 329.488 3.402 20 0 EGADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897065889 1310162794 /nfs/dbraw/zinc/16/27/94/1310162794.db2.gz WTUANFFIFZOOTG-GOSISDBHSA-N 2 1 329.488 3.402 20 0 EGADMP OCC[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccnc2cc(F)c(Cl)cc21 ZINC000897218716 1310226290 /nfs/dbraw/zinc/22/62/90/1310226290.db2.gz FVSNVAKOMPXENI-ZWKOTPCHSA-N 2 1 349.837 3.063 20 0 EGADMP CCOc1ccccc1OCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177287 1310499770 /nfs/dbraw/zinc/49/97/70/1310499770.db2.gz LFVNRSFQAAPPGH-UHFFFAOYSA-N 2 1 332.488 3.272 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799176827 1310499785 /nfs/dbraw/zinc/49/97/85/1310499785.db2.gz GBGNXIUJWJDMOC-UHFFFAOYSA-N 2 1 347.478 3.271 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CCO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000898170649 1310611494 /nfs/dbraw/zinc/61/14/94/1310611494.db2.gz JBVDZAVGEXWFEP-XMSQKQJNSA-N 2 1 338.495 3.364 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CCO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000898170649 1310611497 /nfs/dbraw/zinc/61/14/97/1310611497.db2.gz JBVDZAVGEXWFEP-XMSQKQJNSA-N 2 1 338.495 3.364 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000827602502 1320462261 /nfs/dbraw/zinc/46/22/61/1320462261.db2.gz WQYNBJNXNCZYGW-XHSDSOJGSA-N 2 1 348.362 3.061 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000827602502 1320462264 /nfs/dbraw/zinc/46/22/64/1320462264.db2.gz WQYNBJNXNCZYGW-XHSDSOJGSA-N 2 1 348.362 3.061 20 0 EGADMP CC(C)n1ncc2cc(C[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)c(Cl)nc21 ZINC000839181112 1320888176 /nfs/dbraw/zinc/88/81/76/1320888176.db2.gz GPGSHLWQMZVQAW-AWEZNQCLSA-N 2 1 349.910 3.487 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCc1c[nH+]cn1C ZINC000857783944 1328596806 /nfs/dbraw/zinc/59/68/06/1328596806.db2.gz KDELJYMEAFILGH-UHFFFAOYSA-N 2 1 347.825 3.039 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001019820440 1317439896 /nfs/dbraw/zinc/43/98/96/1317439896.db2.gz KNCZDJPAYDWVDG-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cnc(N(C)C)c3ccccc23)C1 ZINC000929789451 1328701677 /nfs/dbraw/zinc/70/16/77/1328701677.db2.gz FPWTZWFMJGHJIN-INIZCTEOSA-N 2 1 326.488 3.074 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(N(C)C)c3ccccc23)C1 ZINC000929789451 1328701680 /nfs/dbraw/zinc/70/16/80/1328701680.db2.gz FPWTZWFMJGHJIN-INIZCTEOSA-N 2 1 326.488 3.074 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(N(C)C)c3ccccc23)C1 ZINC000929789451 1328701686 /nfs/dbraw/zinc/70/16/86/1328701686.db2.gz FPWTZWFMJGHJIN-INIZCTEOSA-N 2 1 326.488 3.074 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(N(C)C)c3ccccc23)C1 ZINC000929789451 1328701688 /nfs/dbraw/zinc/70/16/88/1328701688.db2.gz FPWTZWFMJGHJIN-INIZCTEOSA-N 2 1 326.488 3.074 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(N(C)C)c3ccccc23)C1 ZINC000929789451 1328701694 /nfs/dbraw/zinc/70/16/94/1328701694.db2.gz FPWTZWFMJGHJIN-INIZCTEOSA-N 2 1 326.488 3.074 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC2)CC1 ZINC000957592214 1317482771 /nfs/dbraw/zinc/48/27/71/1317482771.db2.gz QOAZRKBVLZCEMD-LJQANCHMSA-N 2 1 349.563 3.223 20 0 EGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cnc(N(C)C)c3ccccc23)C1 ZINC000929789453 1328702214 /nfs/dbraw/zinc/70/22/14/1328702214.db2.gz FPWTZWFMJGHJIN-MRXNPFEDSA-N 2 1 326.488 3.074 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(N(C)C)c3ccccc23)C1 ZINC000929789453 1328702218 /nfs/dbraw/zinc/70/22/18/1328702218.db2.gz FPWTZWFMJGHJIN-MRXNPFEDSA-N 2 1 326.488 3.074 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(N(C)C)c3ccccc23)C1 ZINC000929789453 1328702222 /nfs/dbraw/zinc/70/22/22/1328702222.db2.gz FPWTZWFMJGHJIN-MRXNPFEDSA-N 2 1 326.488 3.074 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(N(C)C)c3ccccc23)C1 ZINC000929789453 1328702225 /nfs/dbraw/zinc/70/22/25/1328702225.db2.gz FPWTZWFMJGHJIN-MRXNPFEDSA-N 2 1 326.488 3.074 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(N(C)C)c3ccccc23)C1 ZINC000929789453 1328702228 /nfs/dbraw/zinc/70/22/28/1328702228.db2.gz FPWTZWFMJGHJIN-MRXNPFEDSA-N 2 1 326.488 3.074 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902437218 1317578831 /nfs/dbraw/zinc/57/88/31/1317578831.db2.gz HGSULALSFOKJNB-XUFNMVPLSA-N 2 1 335.495 3.111 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902437217 1317578845 /nfs/dbraw/zinc/57/88/45/1317578845.db2.gz HGSULALSFOKJNB-JJCGOBCMSA-N 2 1 335.495 3.111 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(C[N@@H+](CC)C(C)C)CC1 ZINC000957716269 1317586314 /nfs/dbraw/zinc/58/63/14/1317586314.db2.gz ZYJCAWCRVSEETE-QGZVFWFLSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(C[N@H+](CC)C(C)C)CC1 ZINC000957716269 1317586319 /nfs/dbraw/zinc/58/63/19/1317586319.db2.gz ZYJCAWCRVSEETE-QGZVFWFLSA-N 2 1 348.535 3.366 20 0 EGADMP CC[NH+](CC1CC(C)C1)CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000957720650 1317589027 /nfs/dbraw/zinc/58/90/27/1317589027.db2.gz SXZOZFBNRVMQPS-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+](CC1CC(C)C1)CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000957720650 1317589032 /nfs/dbraw/zinc/58/90/32/1317589032.db2.gz SXZOZFBNRVMQPS-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@H+](CC1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1)C(C)C ZINC000957760234 1317626967 /nfs/dbraw/zinc/62/69/67/1317626967.db2.gz UFNHVYNYRNKXHF-UHFFFAOYSA-N 2 1 348.535 3.366 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1)C(C)C ZINC000957760234 1317626970 /nfs/dbraw/zinc/62/69/70/1317626970.db2.gz UFNHVYNYRNKXHF-UHFFFAOYSA-N 2 1 348.535 3.366 20 0 EGADMP CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000902948066 1317632968 /nfs/dbraw/zinc/63/29/68/1317632968.db2.gz OVWBUDQDRBCXIG-QHAWAJNXSA-N 2 1 346.515 3.081 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC001020302732 1317636014 /nfs/dbraw/zinc/63/60/14/1317636014.db2.gz QSPYOKIMTBKVPB-CGBFIWBNSA-N 2 1 343.515 3.086 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1)C(C)C ZINC000957778228 1317643128 /nfs/dbraw/zinc/64/31/28/1317643128.db2.gz ZHGDBEGJWFGXHH-LJQANCHMSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000957782851 1317644916 /nfs/dbraw/zinc/64/49/16/1317644916.db2.gz WLKOVJMLVQWPMN-UXHICEINSA-N 2 1 343.515 3.156 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000957782851 1317644922 /nfs/dbraw/zinc/64/49/22/1317644922.db2.gz WLKOVJMLVQWPMN-UXHICEINSA-N 2 1 343.515 3.156 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1OC ZINC000903093243 1317651870 /nfs/dbraw/zinc/65/18/70/1317651870.db2.gz QQJVEEXHKBNXDG-NMACRGETSA-N 2 1 344.499 3.382 20 0 EGADMP CCc1cccnc1[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000903121094 1317657671 /nfs/dbraw/zinc/65/76/71/1317657671.db2.gz RSHUDLZWSALMIP-XEOJFFABSA-N 2 1 345.531 3.164 20 0 EGADMP CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000903119473 1317657726 /nfs/dbraw/zinc/65/77/26/1317657726.db2.gz SAFJIDWLFOSAPH-XYNXIRJESA-N 2 1 336.545 3.441 20 0 EGADMP Cn1cc(-c2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cn1 ZINC000903129873 1317660486 /nfs/dbraw/zinc/66/04/86/1317660486.db2.gz JEDZJUHNMBMCCO-CTXDPNEZSA-N 2 1 336.483 3.335 20 0 EGADMP C[NH+](C)C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(F)cc1 ZINC000903172250 1317667501 /nfs/dbraw/zinc/66/75/01/1317667501.db2.gz WGUSZMCHEGMWNA-QZNYNHHHSA-N 2 1 331.479 3.176 20 0 EGADMP C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000903192228 1317670047 /nfs/dbraw/zinc/67/00/47/1317670047.db2.gz GZRBODXNWHPDFK-CQSZACIVSA-N 2 1 345.512 3.423 20 0 EGADMP CC[C@H](c1ccc(F)cc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903508542 1317706351 /nfs/dbraw/zinc/70/63/51/1317706351.db2.gz KVYBEAFCLBTEJP-HSALFYBXSA-N 2 1 331.479 3.177 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508542 1317706357 /nfs/dbraw/zinc/70/63/57/1317706357.db2.gz KVYBEAFCLBTEJP-HSALFYBXSA-N 2 1 331.479 3.177 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508542 1317706364 /nfs/dbraw/zinc/70/63/64/1317706364.db2.gz KVYBEAFCLBTEJP-HSALFYBXSA-N 2 1 331.479 3.177 20 0 EGADMP Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903725289 1317725921 /nfs/dbraw/zinc/72/59/21/1317725921.db2.gz ASIFAOTYLJAFNR-ACRUOGEOSA-N 2 1 328.500 3.018 20 0 EGADMP C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903734715 1317727506 /nfs/dbraw/zinc/72/75/06/1317727506.db2.gz VERBSBRTWYOSOL-HKBOAZHASA-N 2 1 328.500 3.100 20 0 EGADMP C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903735421 1317728422 /nfs/dbraw/zinc/72/84/22/1317728422.db2.gz ZUIKXTLTQZBGEH-HOJAQTOUSA-N 2 1 328.500 3.098 20 0 EGADMP CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903770726 1317731838 /nfs/dbraw/zinc/73/18/38/1317731838.db2.gz YYRJMJBATBJKLX-HBFSDRIKSA-N 2 1 332.463 3.162 20 0 EGADMP CC1CC(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001020502286 1317732068 /nfs/dbraw/zinc/73/20/68/1317732068.db2.gz GQKJJGGTBSNNDX-KHDSSVQASA-N 2 1 347.547 3.066 20 0 EGADMP C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903783924 1317733123 /nfs/dbraw/zinc/73/31/23/1317733123.db2.gz HNISTYICJUZANR-UXHICEINSA-N 2 1 346.490 3.381 20 0 EGADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000903888947 1317741807 /nfs/dbraw/zinc/74/18/07/1317741807.db2.gz NGVSGDCGSZFFHD-ZWKOTPCHSA-N 2 1 331.508 3.137 20 0 EGADMP FC(F)(F)c1cc([C@@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)[nH]n1 ZINC000903909173 1317746830 /nfs/dbraw/zinc/74/68/30/1317746830.db2.gz CILKEIBBZIAZTF-CPIKKWJDSA-N 2 1 342.409 3.139 20 0 EGADMP [NH3+][C@@H](C[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1)CC(F)F ZINC000903923571 1317750920 /nfs/dbraw/zinc/75/09/20/1317750920.db2.gz XONXWGUVLMIAPN-MRXNPFEDSA-N 2 1 338.373 3.477 20 0 EGADMP Cc1nn(-c2ccccn2)c(Cl)c1CNC[C@@H]1CCCC[N@H+](C)C1 ZINC000858246214 1328721427 /nfs/dbraw/zinc/72/14/27/1328721427.db2.gz XXDDFWMIKQLIKQ-HNNXBMFYSA-N 2 1 347.894 3.051 20 0 EGADMP CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@@H+](Cc1ccc(C[NH3+])cc1)C2 ZINC000904373697 1317838405 /nfs/dbraw/zinc/83/84/05/1317838405.db2.gz UWRQCKFBIFFSNB-FQEVSTJZSA-N 2 1 345.487 3.121 20 0 EGADMP Cc1ccc(OCc2nc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)cs2)cc1 ZINC000904406436 1317844073 /nfs/dbraw/zinc/84/40/73/1317844073.db2.gz VCTWVYGFKPOPLC-OAHLLOKOSA-N 2 1 331.485 3.201 20 0 EGADMP Cc1ccc(OCc2nc(C[N@H+]3CC[C@@H](CC[NH3+])C3)cs2)cc1 ZINC000904406436 1317844083 /nfs/dbraw/zinc/84/40/83/1317844083.db2.gz VCTWVYGFKPOPLC-OAHLLOKOSA-N 2 1 331.485 3.201 20 0 EGADMP Cc1csc(C[C@@H]2CC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC000904432651 1317845975 /nfs/dbraw/zinc/84/59/75/1317845975.db2.gz DOOSGTWKVVZOQX-ZDUSSCGKSA-N 2 1 333.526 3.223 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000809718444 1317874886 /nfs/dbraw/zinc/87/48/86/1317874886.db2.gz UKRQGGOHCMPVDT-BFYDXBDKSA-N 2 1 339.524 3.094 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@@](C)(O)C(F)F)C1 ZINC000905044998 1317916607 /nfs/dbraw/zinc/91/66/07/1317916607.db2.gz HEPFWNRBYCDOQL-RDTXWAMCSA-N 2 1 326.431 3.024 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cc[nH+]c(CO)c2)C1 ZINC000858351661 1328742915 /nfs/dbraw/zinc/74/29/15/1328742915.db2.gz MVIDUVRXLKFGNX-INIZCTEOSA-N 2 1 325.456 3.418 20 0 EGADMP c1ncc(-c2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)o1 ZINC000906528513 1318113401 /nfs/dbraw/zinc/11/34/01/1318113401.db2.gz ZHWKDKWTXUFSJK-IBGZPJMESA-N 2 1 341.455 3.075 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC001021299932 1318177126 /nfs/dbraw/zinc/17/71/26/1318177126.db2.gz YOCVEUPLXFQIPB-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001021299932 1318177130 /nfs/dbraw/zinc/17/71/30/1318177130.db2.gz YOCVEUPLXFQIPB-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001021299932 1318177136 /nfs/dbraw/zinc/17/71/36/1318177136.db2.gz YOCVEUPLXFQIPB-NXEWRWPSSA-N 2 1 347.547 3.163 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001021470008 1318269683 /nfs/dbraw/zinc/26/96/83/1318269683.db2.gz QZCJEELTMQCUHB-IPQPSQTFSA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001021470008 1318269693 /nfs/dbraw/zinc/26/96/93/1318269693.db2.gz QZCJEELTMQCUHB-IPQPSQTFSA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001021470008 1318269698 /nfs/dbraw/zinc/26/96/98/1318269698.db2.gz QZCJEELTMQCUHB-IPQPSQTFSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000960150932 1318383353 /nfs/dbraw/zinc/38/33/53/1318383353.db2.gz UTOMTWMHRALDTL-SFHVURJKSA-N 2 1 346.519 3.167 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC000960220260 1318417490 /nfs/dbraw/zinc/41/74/90/1318417490.db2.gz WNFRGMKNKQRSLN-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP Oc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000812720031 1318444130 /nfs/dbraw/zinc/44/41/30/1318444130.db2.gz XZLJDVIMKTXMLI-APWZRJJASA-N 2 1 330.472 3.003 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H]2C[N@H+](C(C)C)CC[C@@H]21 ZINC001021682931 1318555253 /nfs/dbraw/zinc/55/52/53/1318555253.db2.gz VKMMIUDWXNCTHM-ROUUACIJSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H]2C[N@@H+](C(C)C)CC[C@@H]21 ZINC001021682931 1318555261 /nfs/dbraw/zinc/55/52/61/1318555261.db2.gz VKMMIUDWXNCTHM-ROUUACIJSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000960631022 1318756093 /nfs/dbraw/zinc/75/60/93/1318756093.db2.gz ZLDICYNDAMAKFD-OALUTQOASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC000960631022 1318756098 /nfs/dbraw/zinc/75/60/98/1318756098.db2.gz ZLDICYNDAMAKFD-OALUTQOASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC000960631022 1318756106 /nfs/dbraw/zinc/75/61/06/1318756106.db2.gz ZLDICYNDAMAKFD-OALUTQOASA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1)c1ccccc1 ZINC001022069664 1318786763 /nfs/dbraw/zinc/78/67/63/1318786763.db2.gz NJKUSQWBXUAARB-YRPNKDGESA-N 2 1 343.515 3.247 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3cccc(C)c3)C2)CC[N@H+]1C ZINC001022109353 1318797685 /nfs/dbraw/zinc/79/76/85/1318797685.db2.gz LRLSHNMSMGIMFB-MVBLQPKNSA-N 2 1 343.515 3.023 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCCC1)[NH+](C)C ZINC000960713224 1318820069 /nfs/dbraw/zinc/82/00/69/1318820069.db2.gz UDAILGNYCVIDKO-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001022201385 1318839804 /nfs/dbraw/zinc/83/98/04/1318839804.db2.gz HUYMCWOVQIDKNX-CEXWTWQISA-N 2 1 335.536 3.066 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001022350795 1318902149 /nfs/dbraw/zinc/90/21/49/1318902149.db2.gz PRLXMNTZRXQFNN-VWAQSERHSA-N 2 1 349.563 3.170 20 0 EGADMP CCSc1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000930138466 1328795469 /nfs/dbraw/zinc/79/54/69/1328795469.db2.gz ZZIQASDQOOGPDK-IEBWSBKVSA-N 2 1 347.572 3.256 20 0 EGADMP Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC000960843878 1318981022 /nfs/dbraw/zinc/98/10/22/1318981022.db2.gz LGXQHMCWVOCVQO-WOJBJXKFSA-N 2 1 345.531 3.004 20 0 EGADMP CCc1ccccc1C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC000960882067 1319018394 /nfs/dbraw/zinc/01/83/94/1319018394.db2.gz NCVVUJRTJUQZSL-UXHICEINSA-N 2 1 345.531 3.012 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC000960914628 1319059999 /nfs/dbraw/zinc/05/99/99/1319059999.db2.gz ISIAXIAHTZMKQY-HXUWFJFHSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)c1ccc(Cl)cc1 ZINC001022711682 1319079494 /nfs/dbraw/zinc/07/94/94/1319079494.db2.gz COTSYQCZGCOOQI-IHETXDGRSA-N 2 1 349.906 3.122 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1)[NH+]1CCCC1 ZINC000961031725 1319155625 /nfs/dbraw/zinc/15/56/25/1319155625.db2.gz NRYDRTKOYCFCFE-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001022958300 1319186859 /nfs/dbraw/zinc/18/68/59/1319186859.db2.gz IQVLGDPTHVSALZ-CEXWTWQISA-N 2 1 335.536 3.068 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001022958274 1319187713 /nfs/dbraw/zinc/18/77/13/1319187713.db2.gz HUIDKRDELOGEQM-HSALFYBXSA-N 2 1 349.563 3.458 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001022958828 1319189223 /nfs/dbraw/zinc/18/92/23/1319189223.db2.gz WXQDSKNRESLVFM-KSZLIROESA-N 2 1 349.544 3.140 20 0 EGADMP CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC000961170695 1319288564 /nfs/dbraw/zinc/28/85/64/1319288564.db2.gz QVBWEORPMJEXHO-JKSUJKDBSA-N 2 1 349.544 3.004 20 0 EGADMP CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961235186 1319368972 /nfs/dbraw/zinc/36/89/72/1319368972.db2.gz VTTAOYIVFLBXDC-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000961235186 1319368985 /nfs/dbraw/zinc/36/89/85/1319368985.db2.gz VTTAOYIVFLBXDC-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000961235186 1319368994 /nfs/dbraw/zinc/36/89/94/1319368994.db2.gz VTTAOYIVFLBXDC-RTBURBONSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961235178 1319369867 /nfs/dbraw/zinc/36/98/67/1319369867.db2.gz VTTAOYIVFLBXDC-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000961235178 1319369872 /nfs/dbraw/zinc/36/98/72/1319369872.db2.gz VTTAOYIVFLBXDC-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000961235178 1319369876 /nfs/dbraw/zinc/36/98/76/1319369876.db2.gz VTTAOYIVFLBXDC-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000817892266 1319453897 /nfs/dbraw/zinc/45/38/97/1319453897.db2.gz RQCIXABVNMRFLA-YSSFQJQWSA-N 2 1 349.478 3.349 20 0 EGADMP C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1c[nH+]ccc1N ZINC000817904250 1319456129 /nfs/dbraw/zinc/45/61/29/1319456129.db2.gz AYPXPJFJKMZEHC-PSLIRLAXSA-N 2 1 326.227 3.185 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)c1cc(Br)ncc1F)[C@H]1CCC[NH2+]C1 ZINC000817946849 1319471537 /nfs/dbraw/zinc/47/15/37/1319471537.db2.gz GKKPXRZBEDWSIK-VWYCJHECSA-N 2 1 330.245 3.022 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950294 1319475371 /nfs/dbraw/zinc/47/53/71/1319475371.db2.gz YEIBLXJKWJXANI-AVRDEDQJSA-N 3 1 337.511 3.188 20 0 EGADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950294 1319475374 /nfs/dbraw/zinc/47/53/74/1319475374.db2.gz YEIBLXJKWJXANI-AVRDEDQJSA-N 2 1 337.511 3.188 20 0 EGADMP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1C[NH+]1CCCCC1 ZINC000817959471 1319478424 /nfs/dbraw/zinc/47/84/24/1319478424.db2.gz ROOVZZHLEYCKKY-LPHOPBHVSA-N 3 1 333.520 3.315 20 0 EGADMP CC[NH+](CC)Cc1cc([C@@H](C)N[C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000817968001 1319481363 /nfs/dbraw/zinc/48/13/63/1319481363.db2.gz FQBASALRHBFNAL-VQIMIIECSA-N 2 1 333.520 3.330 20 0 EGADMP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1Cn1cccn1 ZINC000817981671 1319485740 /nfs/dbraw/zinc/48/57/40/1319485740.db2.gz MHUZPFLGXAOEIY-BEFAXECRSA-N 2 1 342.487 3.108 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413927 1319516812 /nfs/dbraw/zinc/51/68/12/1319516812.db2.gz KYBCLUCJNGLNKZ-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023413927 1319516819 /nfs/dbraw/zinc/51/68/19/1319516819.db2.gz KYBCLUCJNGLNKZ-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023413927 1319516826 /nfs/dbraw/zinc/51/68/26/1319516826.db2.gz KYBCLUCJNGLNKZ-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000961366541 1319522235 /nfs/dbraw/zinc/52/22/35/1319522235.db2.gz IPOUEKGSWJOHPX-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000961366541 1319522243 /nfs/dbraw/zinc/52/22/43/1319522243.db2.gz IPOUEKGSWJOHPX-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000961366541 1319522250 /nfs/dbraw/zinc/52/22/50/1319522250.db2.gz IPOUEKGSWJOHPX-UXHICEINSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001023445944 1319546513 /nfs/dbraw/zinc/54/65/13/1319546513.db2.gz FUCLDFSOPGWFIB-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001023445944 1319546522 /nfs/dbraw/zinc/54/65/22/1319546522.db2.gz FUCLDFSOPGWFIB-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001023445944 1319546529 /nfs/dbraw/zinc/54/65/29/1319546529.db2.gz FUCLDFSOPGWFIB-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000961406169 1319563413 /nfs/dbraw/zinc/56/34/13/1319563413.db2.gz PEMCCTIRKDPQOE-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC000961406169 1319563423 /nfs/dbraw/zinc/56/34/23/1319563423.db2.gz PEMCCTIRKDPQOE-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000961406169 1319563429 /nfs/dbraw/zinc/56/34/29/1319563429.db2.gz PEMCCTIRKDPQOE-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+](CCC3CC3)C2)CC1)[NH+](C)C ZINC000961409370 1319565349 /nfs/dbraw/zinc/56/53/49/1319565349.db2.gz CJGPUIVZINIHFF-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)c3c[nH]cn3)CC2)C1 ZINC000961433980 1319587819 /nfs/dbraw/zinc/58/78/19/1319587819.db2.gz XQAHCTRNUIQMTJ-KRWDZBQOSA-N 2 1 346.519 3.046 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)c3c[nH]cn3)CC2)C1 ZINC000961433980 1319587828 /nfs/dbraw/zinc/58/78/28/1319587828.db2.gz XQAHCTRNUIQMTJ-KRWDZBQOSA-N 2 1 346.519 3.046 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000819101105 1319635127 /nfs/dbraw/zinc/63/51/27/1319635127.db2.gz MPUGUJSVHUFALW-INIZCTEOSA-N 2 1 325.815 3.087 20 0 EGADMP C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C1=CC[N@@H+](C)CC1 ZINC000819220514 1319672806 /nfs/dbraw/zinc/67/28/06/1319672806.db2.gz PGTQNSIGTCXQPO-MEDUHNTESA-N 2 1 329.271 3.267 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001023707004 1319836157 /nfs/dbraw/zinc/83/61/57/1319836157.db2.gz GGCBBKMLMHGDOO-MRXNPFEDSA-N 2 1 346.519 3.026 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001023707004 1319836165 /nfs/dbraw/zinc/83/61/65/1319836165.db2.gz GGCBBKMLMHGDOO-MRXNPFEDSA-N 2 1 346.519 3.026 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(CC)CC)C[C@H]21 ZINC000962277972 1319897016 /nfs/dbraw/zinc/89/70/16/1319897016.db2.gz ZSHIATKZVREUTR-ZGXWSNOMSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(CC)CC)C[C@H]21 ZINC000962277972 1319897026 /nfs/dbraw/zinc/89/70/26/1319897026.db2.gz ZSHIATKZVREUTR-ZGXWSNOMSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(CC)CC)C[C@H]21 ZINC000962277972 1319897037 /nfs/dbraw/zinc/89/70/37/1319897037.db2.gz ZSHIATKZVREUTR-ZGXWSNOMSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763214 1319911592 /nfs/dbraw/zinc/91/15/92/1319911592.db2.gz FENYTWNDQPKLPN-ZWKOTPCHSA-N 2 1 345.531 3.236 20 0 EGADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccnc(Cl)c2F)c1 ZINC000823667081 1320196643 /nfs/dbraw/zinc/19/66/43/1320196643.db2.gz YKIKWLIDRMCECP-UHFFFAOYSA-N 2 1 337.826 3.104 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000823736683 1320202392 /nfs/dbraw/zinc/20/23/92/1320202392.db2.gz KNUWEOBXLDWEQH-SJORKVTESA-N 2 1 341.540 3.105 20 0 EGADMP Cc1cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)no1 ZINC000838880436 1320829469 /nfs/dbraw/zinc/82/94/69/1320829469.db2.gz OALGXHWPANGHCW-UHFFFAOYSA-N 2 1 328.460 3.373 20 0 EGADMP CCOc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OC(=O)CC ZINC000840909791 1321175549 /nfs/dbraw/zinc/17/55/49/1321175549.db2.gz HLFONTFBFYRTHY-QGZVFWFLSA-N 2 1 348.487 3.174 20 0 EGADMP CCOc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OC(=O)CC ZINC000840909791 1321175551 /nfs/dbraw/zinc/17/55/51/1321175551.db2.gz HLFONTFBFYRTHY-QGZVFWFLSA-N 2 1 348.487 3.174 20 0 EGADMP CCOc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1OC(=O)CC ZINC000840909791 1321175553 /nfs/dbraw/zinc/17/55/53/1321175553.db2.gz HLFONTFBFYRTHY-QGZVFWFLSA-N 2 1 348.487 3.174 20 0 EGADMP CCOc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1OC(=O)CC ZINC000840909791 1321175561 /nfs/dbraw/zinc/17/55/61/1321175561.db2.gz HLFONTFBFYRTHY-QGZVFWFLSA-N 2 1 348.487 3.174 20 0 EGADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215116 1328947960 /nfs/dbraw/zinc/94/79/60/1328947960.db2.gz ZQEKGIBOPRPUEX-FGTMMUONSA-N 2 1 345.531 3.358 20 0 EGADMP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859216064 1328949372 /nfs/dbraw/zinc/94/93/72/1328949372.db2.gz WZIDXADDGOBDAV-PXNSSMCTSA-N 2 1 345.531 3.360 20 0 EGADMP CC[N@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000842473179 1321392954 /nfs/dbraw/zinc/39/29/54/1321392954.db2.gz QKCVXORCDIRKRH-TZIWHRDSSA-N 2 1 342.483 3.101 20 0 EGADMP CCOc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)cc(Cl)c1OC ZINC000843055466 1321463010 /nfs/dbraw/zinc/46/30/10/1321463010.db2.gz CMPLJBFGOYTCGG-UHFFFAOYSA-N 2 1 326.868 3.449 20 0 EGADMP C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)C1CCC([NH3+])CC1 ZINC000843056009 1321463270 /nfs/dbraw/zinc/46/32/70/1321463270.db2.gz WIALNQNPWDCGET-UHFFFAOYSA-N 2 1 325.456 3.362 20 0 EGADMP O[C@H](C[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000843066742 1321465103 /nfs/dbraw/zinc/46/51/03/1321465103.db2.gz UBMZRGUTIQQLMC-ZWKOTPCHSA-N 2 1 330.497 3.283 20 0 EGADMP CCCCCCNC(=O)[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000843358797 1321506073 /nfs/dbraw/zinc/50/60/73/1321506073.db2.gz PAHHWGBDFNHAHG-IBGZPJMESA-N 2 1 337.552 3.175 20 0 EGADMP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363823 1321506642 /nfs/dbraw/zinc/50/66/42/1321506642.db2.gz CISZRMQOVDCCEI-INIZCTEOSA-N 2 1 337.467 3.242 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000843377832 1321508935 /nfs/dbraw/zinc/50/89/35/1321508935.db2.gz NYRAHAUGIAWHEL-QGZVFWFLSA-N 2 1 337.467 3.353 20 0 EGADMP CCOc1cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])ccc1OC(=O)CC ZINC000844902348 1321656374 /nfs/dbraw/zinc/65/63/74/1321656374.db2.gz PXSVMALLSCZWDA-DOTOQJQBSA-N 2 1 348.487 3.350 20 0 EGADMP COc1cc(N[C@@H]2CCC[N@@H+](CCCCCC[NH3+])C2)cc(OC)c1 ZINC000846221247 1321777428 /nfs/dbraw/zinc/77/74/28/1321777428.db2.gz VCUJJFQZPRNNQW-MRXNPFEDSA-N 2 1 335.492 3.099 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)nc(Cl)c2)C1 ZINC000846226877 1321778052 /nfs/dbraw/zinc/77/80/52/1321778052.db2.gz DDNAFAYCHNUCDH-RDBSUJKOSA-N 2 1 344.286 3.249 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)nc(Cl)c2)C1 ZINC000846226877 1321778056 /nfs/dbraw/zinc/77/80/56/1321778056.db2.gz DDNAFAYCHNUCDH-RDBSUJKOSA-N 2 1 344.286 3.249 20 0 EGADMP Cc1nn(-c2ccccc2F)cc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000848541339 1321972710 /nfs/dbraw/zinc/97/27/10/1321972710.db2.gz XKMIHSAKZVFDFU-DLBZAZTESA-N 2 1 330.451 3.282 20 0 EGADMP Cc1[nH+]ccn1CCCCOC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000848776854 1322007528 /nfs/dbraw/zinc/00/75/28/1322007528.db2.gz LGVLJHHBGATHSB-IBGZPJMESA-N 2 1 341.455 3.037 20 0 EGADMP Cc1[nH+]ccn1CCCCOC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848776854 1322007533 /nfs/dbraw/zinc/00/75/33/1322007533.db2.gz LGVLJHHBGATHSB-IBGZPJMESA-N 2 1 341.455 3.037 20 0 EGADMP COC(=O)/C=C/c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000848901725 1322038843 /nfs/dbraw/zinc/03/88/43/1322038843.db2.gz ATRNKZIRWQJIRP-NUPWCOBBSA-N 2 1 346.471 3.208 20 0 EGADMP COC(=O)/C=C/c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000848901725 1322038846 /nfs/dbraw/zinc/03/88/46/1322038846.db2.gz ATRNKZIRWQJIRP-NUPWCOBBSA-N 2 1 346.471 3.208 20 0 EGADMP C[C@@H]1C[C@@H](CCNC(=[NH2+])Nc2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000848989832 1322056945 /nfs/dbraw/zinc/05/69/45/1322056945.db2.gz DVCVZSGGGWNKDH-SJLPKXTDSA-N 2 1 337.471 3.319 20 0 EGADMP CC[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000849063099 1322063268 /nfs/dbraw/zinc/06/32/68/1322063268.db2.gz WPFRRNUKYRZFQD-APWZRJJASA-N 2 1 328.504 3.080 20 0 EGADMP CC[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000849063099 1322063271 /nfs/dbraw/zinc/06/32/71/1322063271.db2.gz WPFRRNUKYRZFQD-APWZRJJASA-N 2 1 328.504 3.080 20 0 EGADMP COc1ccccc1CNC(=[NH2+])NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000849065634 1322064146 /nfs/dbraw/zinc/06/41/46/1322064146.db2.gz NUNFSFAZAMERNU-IYBDPMFKSA-N 2 1 346.519 3.066 20 0 EGADMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849091303 1322074735 /nfs/dbraw/zinc/07/47/35/1322074735.db2.gz UDLCQLPHSLVLLY-CQSZACIVSA-N 2 1 342.409 3.051 20 0 EGADMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849091269 1322075069 /nfs/dbraw/zinc/07/50/69/1322075069.db2.gz QRIIYCNGBPIFOX-ZDUSSCGKSA-N 2 1 342.409 3.051 20 0 EGADMP C[C@@H](NC(=[NH2+])NCC[N@H+]1CC=CCC1)c1ccc(Cl)cc1Cl ZINC000849095775 1322076002 /nfs/dbraw/zinc/07/60/02/1322076002.db2.gz MYRHQAFZUYFMBR-GFCCVEGCSA-N 2 1 341.286 3.430 20 0 EGADMP C[C@@H](NC(=[NH2+])NCC[N@@H+]1CC=CCC1)c1ccc(Cl)cc1Cl ZINC000849095775 1322076007 /nfs/dbraw/zinc/07/60/07/1322076007.db2.gz MYRHQAFZUYFMBR-GFCCVEGCSA-N 2 1 341.286 3.430 20 0 EGADMP COc1ccccc1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000849105920 1322080432 /nfs/dbraw/zinc/08/04/32/1322080432.db2.gz IVADTRCKMYVCSC-GOSISDBHSA-N 2 1 344.503 3.106 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000849106022 1322080439 /nfs/dbraw/zinc/08/04/39/1322080439.db2.gz PDYIBQJYBOIBSB-XIRDDKMYSA-N 2 1 334.895 3.184 20 0 EGADMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000849112276 1322082951 /nfs/dbraw/zinc/08/29/51/1322082951.db2.gz FNPGCRFIOPQFGT-LRDDRELGSA-N 2 1 338.858 3.138 20 0 EGADMP COc1cncc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000850227091 1322209945 /nfs/dbraw/zinc/20/99/45/1322209945.db2.gz WRZJBMXKPZKWFU-HKUYNNGSSA-N 2 1 339.483 3.481 20 0 EGADMP CS[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000921982035 1322434436 /nfs/dbraw/zinc/43/44/36/1322434436.db2.gz ZVRFKRXEULTWJK-GBESFXJTSA-N 2 1 334.529 3.017 20 0 EGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc3ccccc3c1)C2 ZINC000922386800 1322515268 /nfs/dbraw/zinc/51/52/68/1322515268.db2.gz IRDAIKSPHYHMNS-CZYKHXBRSA-N 2 1 338.495 3.409 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@]34CCC[C@H]3OCC4)CC2)cc1 ZINC000922691860 1322592567 /nfs/dbraw/zinc/59/25/67/1322592567.db2.gz HCBUYROPGYSITL-NHCUHLMSSA-N 2 1 346.490 3.381 20 0 EGADMP O[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923313140 1322731508 /nfs/dbraw/zinc/73/15/08/1322731508.db2.gz VKGCMNIRLOMTFY-VUQUMOFBSA-N 2 1 328.500 3.495 20 0 EGADMP O[C@H](C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1Cl ZINC000923361972 1322740438 /nfs/dbraw/zinc/74/04/38/1322740438.db2.gz JEVJGAMSOVHEER-IIYDPXPESA-N 2 1 343.298 3.348 20 0 EGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000923368109 1322741509 /nfs/dbraw/zinc/74/15/09/1322741509.db2.gz LGVCBWCCXCZQSI-QUCCMNQESA-N 2 1 342.483 3.056 20 0 EGADMP c1ccc2c(c1)C[N@@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C[C@H]1CCCN21 ZINC000923425568 1322749867 /nfs/dbraw/zinc/74/98/67/1322749867.db2.gz HSKLMONLEARXMT-ZNBHLAFESA-N 2 1 325.500 3.392 20 0 EGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc(-n2cnnc2)c1 ZINC000924574692 1323059990 /nfs/dbraw/zinc/05/99/90/1323059990.db2.gz WUKGXPHEYXYANP-SJORKVTESA-N 2 1 327.476 3.182 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001023985486 1323065680 /nfs/dbraw/zinc/06/56/80/1323065680.db2.gz XALXEPATSOWFQC-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001024018688 1323080395 /nfs/dbraw/zinc/08/03/95/1323080395.db2.gz RMOHSYSHVNOHAY-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC1(C)OC[C@H](C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)O1 ZINC000851799112 1323090657 /nfs/dbraw/zinc/09/06/57/1323090657.db2.gz PHIZLZYQQLQMBG-FPOVZHCZSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@H](C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)O1 ZINC000851799112 1323090661 /nfs/dbraw/zinc/09/06/61/1323090661.db2.gz PHIZLZYQQLQMBG-FPOVZHCZSA-N 2 1 344.499 3.126 20 0 EGADMP CC1(C)OC[C@H](C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)O1 ZINC000851799112 1323090667 /nfs/dbraw/zinc/09/06/67/1323090667.db2.gz PHIZLZYQQLQMBG-FPOVZHCZSA-N 2 1 344.499 3.126 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2COC(C)(C)O2)CC1)CC(C)C ZINC000851891780 1323107131 /nfs/dbraw/zinc/10/71/31/1323107131.db2.gz CCJCQSIREVZMLI-SFHVURJKSA-N 2 1 326.525 3.218 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000851939708 1323119868 /nfs/dbraw/zinc/11/98/68/1323119868.db2.gz HYRICTZQQFWWST-DOTOQJQBSA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000851939708 1323119871 /nfs/dbraw/zinc/11/98/71/1323119871.db2.gz HYRICTZQQFWWST-DOTOQJQBSA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000851939708 1323119878 /nfs/dbraw/zinc/11/98/78/1323119878.db2.gz HYRICTZQQFWWST-DOTOQJQBSA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000851939708 1323119883 /nfs/dbraw/zinc/11/98/83/1323119883.db2.gz HYRICTZQQFWWST-DOTOQJQBSA-N 2 1 344.421 3.196 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1COC(C)(C)O1 ZINC000851948530 1323120956 /nfs/dbraw/zinc/12/09/56/1323120956.db2.gz WWAZNWPSNPIYDH-NEWSRXKRSA-N 2 1 332.488 3.028 20 0 EGADMP C[C@H](NCc1ccccc1C[N@@H+](C)C1CCCCC1)c1cnn(C)n1 ZINC000924730232 1323136936 /nfs/dbraw/zinc/13/69/36/1323136936.db2.gz MGGZLYTYBZJZKQ-INIZCTEOSA-N 2 1 341.503 3.430 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1coc2ccccc21 ZINC000925018988 1323246671 /nfs/dbraw/zinc/24/66/71/1323246671.db2.gz HKNFBDJCKJGSGR-OAHLLOKOSA-N 2 1 343.471 3.026 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)c3ccccn3)cc2)C1 ZINC000853061741 1323271206 /nfs/dbraw/zinc/27/12/06/1323271206.db2.gz FTMJSZVNJLIQOQ-UTKZUKDTSA-N 2 1 339.483 3.137 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001024436259 1323395624 /nfs/dbraw/zinc/39/56/24/1323395624.db2.gz AUTWWCNFQAPBIA-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001024436259 1323395634 /nfs/dbraw/zinc/39/56/34/1323395634.db2.gz AUTWWCNFQAPBIA-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CC(C)(C)C1 ZINC001024436259 1323395640 /nfs/dbraw/zinc/39/56/40/1323395640.db2.gz AUTWWCNFQAPBIA-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC=C(C)C)C1 ZINC001024614928 1323542329 /nfs/dbraw/zinc/54/23/29/1323542329.db2.gz LOZYTCFGCJFSDF-RBUKOAKNSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC=C(C)C)C1 ZINC001024614928 1323542337 /nfs/dbraw/zinc/54/23/37/1323542337.db2.gz LOZYTCFGCJFSDF-RBUKOAKNSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CC=C(C)C)C1 ZINC001024614928 1323542348 /nfs/dbraw/zinc/54/23/48/1323542348.db2.gz LOZYTCFGCJFSDF-RBUKOAKNSA-N 2 1 335.536 3.045 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC2CC(C)(C)C2)CC[N@H+]1C ZINC001024620405 1323548527 /nfs/dbraw/zinc/54/85/27/1323548527.db2.gz UCXVOQIUCABJRF-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC2CC(C)(C)C2)CC[NH+]1C ZINC001024620405 1323548530 /nfs/dbraw/zinc/54/85/30/1323548530.db2.gz UCXVOQIUCABJRF-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CC2CC(C)(C)C2)CC[NH+]1C ZINC001024620405 1323548536 /nfs/dbraw/zinc/54/85/36/1323548536.db2.gz UCXVOQIUCABJRF-YTQUADARSA-N 2 1 349.563 3.124 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C/C=C\Cl)cc1 ZINC001024711851 1323617992 /nfs/dbraw/zinc/61/79/92/1323617992.db2.gz MJHNHBWYAFJJQC-YYLWEKDPSA-N 2 1 349.906 3.085 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2C/C=C\Cl)cc1 ZINC001024711851 1323618000 /nfs/dbraw/zinc/61/80/00/1323618000.db2.gz MJHNHBWYAFJJQC-YYLWEKDPSA-N 2 1 349.906 3.085 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C/C=C/Cl)cc1 ZINC001024711844 1323618265 /nfs/dbraw/zinc/61/82/65/1323618265.db2.gz MJHNHBWYAFJJQC-CZIMKVFHSA-N 2 1 349.906 3.085 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2C/C=C/Cl)cc1 ZINC001024711844 1323618273 /nfs/dbraw/zinc/61/82/73/1323618273.db2.gz MJHNHBWYAFJJQC-CZIMKVFHSA-N 2 1 349.906 3.085 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024749828 1323653654 /nfs/dbraw/zinc/65/36/54/1323653654.db2.gz HGRNNZZKHZLNRL-XLIONFOSSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024814021 1323715219 /nfs/dbraw/zinc/71/52/19/1323715219.db2.gz MATKNWORTLQKCS-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001024814021 1323715223 /nfs/dbraw/zinc/71/52/23/1323715223.db2.gz MATKNWORTLQKCS-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001024814021 1323715228 /nfs/dbraw/zinc/71/52/28/1323715228.db2.gz MATKNWORTLQKCS-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024814019 1323716843 /nfs/dbraw/zinc/71/68/43/1323716843.db2.gz MATKNWORTLQKCS-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001024814019 1323716850 /nfs/dbraw/zinc/71/68/50/1323716850.db2.gz MATKNWORTLQKCS-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001024814019 1323716858 /nfs/dbraw/zinc/71/68/58/1323716858.db2.gz MATKNWORTLQKCS-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001024959214 1323801222 /nfs/dbraw/zinc/80/12/22/1323801222.db2.gz PZDHCIMORGOQHR-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931429914 1329115924 /nfs/dbraw/zinc/11/59/24/1329115924.db2.gz JQBTZFJSCMGPOO-XLAORIBOSA-N 2 1 343.515 3.411 20 0 EGADMP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931429914 1329115928 /nfs/dbraw/zinc/11/59/28/1329115928.db2.gz JQBTZFJSCMGPOO-XLAORIBOSA-N 2 1 343.515 3.411 20 0 EGADMP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931429914 1329115932 /nfs/dbraw/zinc/11/59/32/1329115932.db2.gz JQBTZFJSCMGPOO-XLAORIBOSA-N 2 1 343.515 3.411 20 0 EGADMP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931429914 1329115934 /nfs/dbraw/zinc/11/59/34/1329115934.db2.gz JQBTZFJSCMGPOO-XLAORIBOSA-N 2 1 343.515 3.411 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(Cc3ncc(-c4cccc(Cl)c4)o3)C[C@@H]2C1 ZINC000931432583 1329116061 /nfs/dbraw/zinc/11/60/61/1329116061.db2.gz WGPSSFREGJIXGW-CABCVRRESA-N 2 1 331.847 3.379 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ncc(-c4cccc(Cl)c4)o3)C[C@@H]2C1 ZINC000931432583 1329116065 /nfs/dbraw/zinc/11/60/65/1329116065.db2.gz WGPSSFREGJIXGW-CABCVRRESA-N 2 1 331.847 3.379 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ncc(-c4cccc(Cl)c4)o3)C[C@@H]2C1 ZINC000931432583 1329116067 /nfs/dbraw/zinc/11/60/67/1329116067.db2.gz WGPSSFREGJIXGW-CABCVRRESA-N 2 1 331.847 3.379 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C[C@@H]2C1 ZINC000931432583 1329116069 /nfs/dbraw/zinc/11/60/69/1329116069.db2.gz WGPSSFREGJIXGW-CABCVRRESA-N 2 1 331.847 3.379 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C[C@@H]2C1 ZINC000931432583 1329116072 /nfs/dbraw/zinc/11/60/72/1329116072.db2.gz WGPSSFREGJIXGW-CABCVRRESA-N 2 1 331.847 3.379 20 0 EGADMP C[N@H+]1CC[C@@H]2CN(Cc3ccc(OCc4ccccc4)nc3)C[C@@H]2C1 ZINC000931441239 1329118240 /nfs/dbraw/zinc/11/82/40/1329118240.db2.gz DZPXGSZQXLDDJB-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCc4ccccc4)nc3)C[C@@H]2C1 ZINC000931441239 1329118244 /nfs/dbraw/zinc/11/82/44/1329118244.db2.gz DZPXGSZQXLDDJB-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCc4ccccc4)nc3)C[C@@H]2C1 ZINC000931441239 1329118245 /nfs/dbraw/zinc/11/82/45/1329118245.db2.gz DZPXGSZQXLDDJB-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(OCc4ccccc4)nc3)C[C@@H]2C1 ZINC000931441239 1329118248 /nfs/dbraw/zinc/11/82/48/1329118248.db2.gz DZPXGSZQXLDDJB-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)nc3)C[C@@H]2C1 ZINC000931441239 1329118251 /nfs/dbraw/zinc/11/82/51/1329118251.db2.gz DZPXGSZQXLDDJB-UXHICEINSA-N 2 1 337.467 3.044 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001025135685 1323913608 /nfs/dbraw/zinc/91/36/08/1323913608.db2.gz HUXZKFWRVXBBHJ-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccnc(N(C)C)c1 ZINC000859996278 1329124467 /nfs/dbraw/zinc/12/44/67/1329124467.db2.gz CIDCRBBVSRCCOA-UHFFFAOYSA-N 2 1 326.488 3.231 20 0 EGADMP CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1sccc1C[NH+](C)C ZINC001025236328 1324026000 /nfs/dbraw/zinc/02/60/00/1324026000.db2.gz FIIMGRPQWRGIJV-IAGOWNOFSA-N 2 1 349.544 3.289 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1sccc1C[NH+](C)C ZINC001025236328 1324026007 /nfs/dbraw/zinc/02/60/07/1324026007.db2.gz FIIMGRPQWRGIJV-IAGOWNOFSA-N 2 1 349.544 3.289 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025266438 1324077284 /nfs/dbraw/zinc/07/72/84/1324077284.db2.gz JREHCXOLBZEGPA-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025266438 1324077286 /nfs/dbraw/zinc/07/72/86/1324077286.db2.gz JREHCXOLBZEGPA-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001025266438 1324077296 /nfs/dbraw/zinc/07/72/96/1324077296.db2.gz JREHCXOLBZEGPA-RTBURBONSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025627766 1324479028 /nfs/dbraw/zinc/47/90/28/1324479028.db2.gz LJGNCCLNQKAQGQ-PXNSSMCTSA-N 2 1 345.531 3.235 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001025630415 1324481839 /nfs/dbraw/zinc/48/18/39/1324481839.db2.gz SQNHPICNGOYIDN-DLBZAZTESA-N 2 1 349.519 3.362 20 0 EGADMP COC(=O)[C@@H]1CCCC[C@@H]1C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000931748044 1329176559 /nfs/dbraw/zinc/17/65/59/1329176559.db2.gz HOGFWYLTNNEWQB-IAGOWNOFSA-N 2 1 333.476 3.185 20 0 EGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C1CC(OCc2ccccc2)C1 ZINC000931765621 1329179553 /nfs/dbraw/zinc/17/95/53/1329179553.db2.gz ZMRWKJXEMFWPFS-RPCJCACASA-N 2 1 337.467 3.340 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001026464521 1324823910 /nfs/dbraw/zinc/82/39/10/1324823910.db2.gz KGPKOLNDQZXGJT-CTWPCTMYSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026492295 1324846122 /nfs/dbraw/zinc/84/61/22/1324846122.db2.gz IKEYHMLXYNNTCB-ACBHZAAOSA-N 2 1 335.536 3.066 20 0 EGADMP CC(C)[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001026494399 1324847432 /nfs/dbraw/zinc/84/74/32/1324847432.db2.gz NBBBMBFLJNUUOP-WWDZGPRUSA-N 2 1 335.536 3.066 20 0 EGADMP O=C(NC1CCC([NH2+]CC2CC2)CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001026494608 1324847642 /nfs/dbraw/zinc/84/76/42/1324847642.db2.gz WOZOZOXVNZVZSY-LMDPOFIKSA-N 2 1 347.547 3.068 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CCC3CCCCC3)CC2)CC[N@H+]1C ZINC001026496838 1324847932 /nfs/dbraw/zinc/84/79/32/1324847932.db2.gz XLBDORAZGJEVSH-SGZDXZSOSA-N 2 1 349.563 3.314 20 0 EGADMP O=C(NC1CCC([NH2+]CC2CC2)CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001026548407 1324885041 /nfs/dbraw/zinc/88/50/41/1324885041.db2.gz YSOHPAGAABYVPT-AFMYVXGZSA-N 2 1 347.547 3.211 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NC2CCC([NH2+]CCC3CCCCC3)CC2)C1 ZINC001026592467 1324918104 /nfs/dbraw/zinc/91/81/04/1324918104.db2.gz BTTXVZJTSFKNAH-HDYDNRTBSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001026839690 1325041723 /nfs/dbraw/zinc/04/17/23/1325041723.db2.gz DXQMRYPQZXRFSM-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360729 1325157454 /nfs/dbraw/zinc/15/74/54/1325157454.db2.gz OJELIGNURYNHKK-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963360729 1325157465 /nfs/dbraw/zinc/15/74/65/1325157465.db2.gz OJELIGNURYNHKK-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963360729 1325157471 /nfs/dbraw/zinc/15/74/71/1325157471.db2.gz OJELIGNURYNHKK-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP c1csc(C[NH+]2CCC(CN[C@@H]3CC[NH2+]C34CCCC4)CC2)c1 ZINC000925533196 1325195212 /nfs/dbraw/zinc/19/52/12/1325195212.db2.gz YSORHLGQURJWGK-GOSISDBHSA-N 2 1 333.545 3.224 20 0 EGADMP CC(C)[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000963420062 1325229132 /nfs/dbraw/zinc/22/91/32/1325229132.db2.gz GJFPNVNYVMRHLP-FAFZWHIHSA-N 2 1 335.536 3.161 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C23CCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000925631250 1325239752 /nfs/dbraw/zinc/23/97/52/1325239752.db2.gz GNRDSJPDGHNXPO-OTWHNJEPSA-N 2 1 349.469 3.363 20 0 EGADMP CC(C)[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C23CCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000925631250 1325239759 /nfs/dbraw/zinc/23/97/59/1325239759.db2.gz GNRDSJPDGHNXPO-OTWHNJEPSA-N 2 1 349.469 3.363 20 0 EGADMP FC(F)(F)c1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)ccn1 ZINC000925680493 1325260578 /nfs/dbraw/zinc/26/05/78/1325260578.db2.gz RBLYLEGZWBTMJJ-CABCVRRESA-N 2 1 327.394 3.358 20 0 EGADMP CCC(CC)[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CCO1 ZINC000926110522 1325432448 /nfs/dbraw/zinc/43/24/48/1325432448.db2.gz WVFRZSCBHGYRSZ-NWJVMNJYSA-N 2 1 338.536 3.202 20 0 EGADMP C[N@@H+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027334224 1325493382 /nfs/dbraw/zinc/49/33/82/1325493382.db2.gz KSGNVLZPGZBJSS-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001027334224 1325493386 /nfs/dbraw/zinc/49/33/86/1325493386.db2.gz KSGNVLZPGZBJSS-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001027334224 1325493389 /nfs/dbraw/zinc/49/33/89/1325493389.db2.gz KSGNVLZPGZBJSS-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP O[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000926259835 1325493869 /nfs/dbraw/zinc/49/38/69/1325493869.db2.gz QKOMLESSZABDBE-QNXAMLQOSA-N 2 1 328.500 3.323 20 0 EGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(Br)n1 ZINC000926572215 1327619616 /nfs/dbraw/zinc/61/96/16/1327619616.db2.gz CVQIYRDBLYBRHS-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(Br)n1 ZINC000926572217 1327619928 /nfs/dbraw/zinc/61/99/28/1327619928.db2.gz CVQIYRDBLYBRHS-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)CC3=CCCCC3)C2)CC[N@H+]1C ZINC001027418669 1327645853 /nfs/dbraw/zinc/64/58/53/1327645853.db2.gz GUJFMMSUBIQQRK-SLFFLAALSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@H+](C)CC3=CCCCC3)C2)CC[NH+]1C ZINC001027418669 1327645859 /nfs/dbraw/zinc/64/58/59/1327645859.db2.gz GUJFMMSUBIQQRK-SLFFLAALSA-N 2 1 347.547 3.140 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)CC3=CCCCC3)C2)CC[NH+]1C ZINC001027418669 1327645866 /nfs/dbraw/zinc/64/58/66/1327645866.db2.gz GUJFMMSUBIQQRK-SLFFLAALSA-N 2 1 347.547 3.140 20 0 EGADMP C[N@@H+](CCC1CC1)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027442675 1327682154 /nfs/dbraw/zinc/68/21/54/1327682154.db2.gz DUAUUSPBKRHOTL-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC1CC1)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001027442675 1327682161 /nfs/dbraw/zinc/68/21/61/1327682161.db2.gz DUAUUSPBKRHOTL-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC1CC1)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001027442675 1327682170 /nfs/dbraw/zinc/68/21/70/1327682170.db2.gz DUAUUSPBKRHOTL-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP Cc1cccc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001027452335 1327692130 /nfs/dbraw/zinc/69/21/30/1327692130.db2.gz MURAMKUOLSYQOG-PMACEKPBSA-N 2 1 345.531 3.004 20 0 EGADMP C[N@@H+](CC1CCCCCC1)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027556122 1327864340 /nfs/dbraw/zinc/86/43/40/1327864340.db2.gz XLUAWTAKHZAHKW-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH+](C)CCC2CCCCC2)C1 ZINC001027576762 1327912890 /nfs/dbraw/zinc/91/28/90/1327912890.db2.gz WHFGWXVRASZJJM-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@H]([N@H+](C)CCC2CCCCC2)C1 ZINC001027576762 1327912898 /nfs/dbraw/zinc/91/28/98/1327912898.db2.gz WHFGWXVRASZJJM-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC001027576762 1327912905 /nfs/dbraw/zinc/91/29/05/1327912905.db2.gz WHFGWXVRASZJJM-ICSRJNTNSA-N 2 1 349.563 3.364 20 0 EGADMP C[N@@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577092 1327914473 /nfs/dbraw/zinc/91/44/73/1327914473.db2.gz DLBPEGSTILXDFR-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001027577092 1327914477 /nfs/dbraw/zinc/91/44/77/1327914477.db2.gz DLBPEGSTILXDFR-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CC1CCCCC1)[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001027577092 1327914489 /nfs/dbraw/zinc/91/44/89/1327914489.db2.gz DLBPEGSTILXDFR-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680544 1328078852 /nfs/dbraw/zinc/07/88/52/1328078852.db2.gz HFZZULYSUZIEKY-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027680544 1328078860 /nfs/dbraw/zinc/07/88/60/1328078860.db2.gz HFZZULYSUZIEKY-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027680544 1328078867 /nfs/dbraw/zinc/07/88/67/1328078867.db2.gz HFZZULYSUZIEKY-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681940 1328079943 /nfs/dbraw/zinc/07/99/43/1328079943.db2.gz GBDMQIREXGCRMI-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC001027693389 1328098064 /nfs/dbraw/zinc/09/80/64/1328098064.db2.gz XZLKIUCIMBPPFQ-IBGZPJMESA-N 2 1 343.515 3.085 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694469 1328100140 /nfs/dbraw/zinc/10/01/40/1328100140.db2.gz ZEFNCROWBAPOTO-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027694022 1328100776 /nfs/dbraw/zinc/10/07/76/1328100776.db2.gz PBAJKVYPZVDPOL-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027694022 1328100777 /nfs/dbraw/zinc/10/07/77/1328100777.db2.gz PBAJKVYPZVDPOL-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027694022 1328100779 /nfs/dbraw/zinc/10/07/79/1328100779.db2.gz PBAJKVYPZVDPOL-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1)[NH+]1CCCCC1 ZINC001027694491 1328101016 /nfs/dbraw/zinc/10/10/16/1328101016.db2.gz AERKCTHVCCPCNU-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1)c1ccccc1 ZINC001027697903 1328108195 /nfs/dbraw/zinc/10/81/95/1328108195.db2.gz YQNRYHRMOQXIPK-UXHICEINSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1)c1ccccc1 ZINC001027697903 1328108199 /nfs/dbraw/zinc/10/81/99/1328108199.db2.gz YQNRYHRMOQXIPK-UXHICEINSA-N 2 1 343.515 3.012 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000865448564 1329698864 /nfs/dbraw/zinc/69/88/64/1329698864.db2.gz IZQRPAFHAJDIEK-LLVKDONJSA-N 2 1 327.350 3.358 20 0 EGADMP CN1CC[NH+](C2CCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)CC1 ZINC000866215495 1330079752 /nfs/dbraw/zinc/07/97/52/1330079752.db2.gz YSZGVSZPZSVXPG-UHFFFAOYSA-N 2 1 344.890 3.104 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000936058734 1330110970 /nfs/dbraw/zinc/11/09/70/1330110970.db2.gz AVVJZQITRFXBSJ-INIZCTEOSA-N 2 1 335.492 3.116 20 0 EGADMP Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000866665890 1330139161 /nfs/dbraw/zinc/13/91/61/1330139161.db2.gz JZANIFNEZGCHAC-HOCLYGCPSA-N 2 1 349.906 3.297 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCC2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942257107 1331890253 /nfs/dbraw/zinc/89/02/53/1331890253.db2.gz JDCKHWFRZGCTQM-MJGOQNOKSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCC2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942557363 1331971117 /nfs/dbraw/zinc/97/11/17/1331971117.db2.gz GGXILFIHCYETSO-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942581125 1331986975 /nfs/dbraw/zinc/98/69/75/1331986975.db2.gz AKMZHAOIMFBLIN-QAPCUYQASA-N 2 1 349.519 3.218 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)C[C@H]1C ZINC000943290108 1332139235 /nfs/dbraw/zinc/13/92/35/1332139235.db2.gz VENBNTQKVYHANI-IAGOWNOFSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC000943290108 1332139239 /nfs/dbraw/zinc/13/92/39/1332139239.db2.gz VENBNTQKVYHANI-IAGOWNOFSA-N 2 1 348.535 3.269 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCC3CCCC3)C[C@H]2C)CC1 ZINC000943756364 1332254901 /nfs/dbraw/zinc/25/49/01/1332254901.db2.gz OWTYLMQJMALXIR-UYAOXDASSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCC3CCCC3)C[C@@H]2C)CC1 ZINC000943756362 1332254969 /nfs/dbraw/zinc/25/49/69/1332254969.db2.gz OWTYLMQJMALXIR-ICSRJNTNSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000944168505 1332338904 /nfs/dbraw/zinc/33/89/04/1332338904.db2.gz IXYBWNOWALYSPU-RDJZCZTQSA-N 2 1 346.519 3.024 20 0 EGADMP C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000944168505 1332338907 /nfs/dbraw/zinc/33/89/07/1332338907.db2.gz IXYBWNOWALYSPU-RDJZCZTQSA-N 2 1 346.519 3.024 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCC(C)C)C[C@H]2CC1 ZINC000946615990 1332863508 /nfs/dbraw/zinc/86/35/08/1332863508.db2.gz VULIKWBTHUGCKL-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC(C)C)C[C@H]2CC1 ZINC000946615990 1332863511 /nfs/dbraw/zinc/86/35/11/1332863511.db2.gz VULIKWBTHUGCKL-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCC(C)C)C[C@H]2CC1 ZINC000946615990 1332863515 /nfs/dbraw/zinc/86/35/15/1332863515.db2.gz VULIKWBTHUGCKL-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCCCC3)C[C@H]2CC1)[NH+](C)C ZINC000946784725 1332898707 /nfs/dbraw/zinc/89/87/07/1332898707.db2.gz QXSOVEZNPWUQOV-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947361838 1333103286 /nfs/dbraw/zinc/10/32/86/1333103286.db2.gz RVQVZXYWGJCWRL-DOTOQJQBSA-N 2 1 349.544 3.359 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947361841 1333103471 /nfs/dbraw/zinc/10/34/71/1333103471.db2.gz RVQVZXYWGJCWRL-WBVHZDCISA-N 2 1 349.544 3.359 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CC1CC(C)(C)C1 ZINC000947492761 1333146155 /nfs/dbraw/zinc/14/61/55/1333146155.db2.gz NGZKIMWBIIZVRK-WMZOPIPTSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1CCC(C)(C)C ZINC000947551543 1333168806 /nfs/dbraw/zinc/16/88/06/1333168806.db2.gz MHBHFDJUXGVJBH-DOTOQJQBSA-N 2 1 342.487 3.353 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1CC1CCCC1 ZINC000947552261 1333169786 /nfs/dbraw/zinc/16/97/86/1333169786.db2.gz SWAFSGGXGZSWSE-YJBOKZPZSA-N 2 1 340.471 3.107 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947569063 1333174795 /nfs/dbraw/zinc/17/47/95/1333174795.db2.gz RHVNOPVWWBSFEH-IEBWSBKVSA-N 2 1 345.531 3.029 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1CCC1CC1 ZINC000948056113 1333357895 /nfs/dbraw/zinc/35/78/95/1333357895.db2.gz HHHRRQWCSJNTGA-UZLBHIALSA-N 2 1 343.515 3.131 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1CCC1CC1 ZINC000948067096 1333362152 /nfs/dbraw/zinc/36/21/52/1333362152.db2.gz TWHFGQRUEYRTBQ-APWZRJJASA-N 2 1 343.515 3.131 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948368497 1333497599 /nfs/dbraw/zinc/49/75/99/1333497599.db2.gz NEBIFUIKJOXVRP-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948368497 1333497602 /nfs/dbraw/zinc/49/76/02/1333497602.db2.gz NEBIFUIKJOXVRP-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948368497 1333497605 /nfs/dbraw/zinc/49/76/05/1333497605.db2.gz NEBIFUIKJOXVRP-OALUTQOASA-N 2 1 337.552 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948583398 1333584769 /nfs/dbraw/zinc/58/47/69/1333584769.db2.gz QHUXQYORMQKDBH-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000948620039 1333599734 /nfs/dbraw/zinc/59/97/34/1333599734.db2.gz BDCXSXHKQMHYOQ-ICFOYXHFSA-N 2 1 346.862 3.013 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000948642859 1333608761 /nfs/dbraw/zinc/60/87/61/1333608761.db2.gz OXDZPILTUCAZHO-IBGZPJMESA-N 2 1 345.531 3.126 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948673646 1333623170 /nfs/dbraw/zinc/62/31/70/1333623170.db2.gz FFKNZSXUJKQFKQ-ROUUACIJSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CCC[NH+](CCC3CCCC3)CC2)C1 ZINC000948765867 1333668829 /nfs/dbraw/zinc/66/88/29/1333668829.db2.gz DKSULBOLKSAWGB-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@H+](CCC3CCCC3)CC2)C1 ZINC000948765867 1333668833 /nfs/dbraw/zinc/66/88/33/1333668833.db2.gz DKSULBOLKSAWGB-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@@H+](CCC3CCCC3)CC2)C1 ZINC000948765867 1333668836 /nfs/dbraw/zinc/66/88/36/1333668836.db2.gz DKSULBOLKSAWGB-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948767143 1333669817 /nfs/dbraw/zinc/66/98/17/1333669817.db2.gz QYYPERPITIMHGN-PKOBYXMFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000948767143 1333669819 /nfs/dbraw/zinc/66/98/19/1333669819.db2.gz QYYPERPITIMHGN-PKOBYXMFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000948767143 1333669822 /nfs/dbraw/zinc/66/98/22/1333669822.db2.gz QYYPERPITIMHGN-PKOBYXMFSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H](C(=O)N(C)[C@@H]1CCC[N@@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC000948829631 1333701883 /nfs/dbraw/zinc/70/18/83/1333701883.db2.gz SANNBRMJYZSQMD-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000949045656 1333769919 /nfs/dbraw/zinc/76/99/19/1333769919.db2.gz CTIFCWPPKNENIG-FQEVSTJZSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000949045656 1333769921 /nfs/dbraw/zinc/76/99/21/1333769921.db2.gz CTIFCWPPKNENIG-FQEVSTJZSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000950505885 1334083227 /nfs/dbraw/zinc/08/32/27/1334083227.db2.gz NWDFCYZGWAZGPI-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000950505885 1334083229 /nfs/dbraw/zinc/08/32/29/1334083229.db2.gz NWDFCYZGWAZGPI-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N2CC[NH+](CCC3CCCCCC3)CC2)C1 ZINC000950524596 1334084796 /nfs/dbraw/zinc/08/47/96/1334084796.db2.gz XXIGSWBJRGMDDE-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000951192652 1334203104 /nfs/dbraw/zinc/20/31/04/1334203104.db2.gz TWXMJDTZPBQKOW-RBUKOAKNSA-N 2 1 343.515 3.156 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC)C2C[NH+](CC(CC)CC)C2)C1 ZINC000951211858 1334209449 /nfs/dbraw/zinc/20/94/49/1334209449.db2.gz CRJITSHVMHLFBA-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327992 1335891230 /nfs/dbraw/zinc/89/12/30/1335891230.db2.gz VRGXALJNCYYMCT-PXNSSMCTSA-N 2 1 345.531 3.031 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2=CCCCC2)C[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000968330961 1335892081 /nfs/dbraw/zinc/89/20/81/1335892081.db2.gz ICJSNIIAFCGOCX-MJGOQNOKSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1CC[NH+](CC2=CCCCC2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000968330961 1335892082 /nfs/dbraw/zinc/89/20/82/1335892082.db2.gz ICJSNIIAFCGOCX-MJGOQNOKSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1CC[NH+](CC2=CCCCC2)C[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000968330961 1335892084 /nfs/dbraw/zinc/89/20/84/1335892084.db2.gz ICJSNIIAFCGOCX-MJGOQNOKSA-N 2 1 347.547 3.045 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2C[N@@H+](CCC3CCCC3)CC[C@H]2C)CC1 ZINC000968458755 1335931521 /nfs/dbraw/zinc/93/15/21/1335931521.db2.gz DUFSYMABUQGJKI-QUCCMNQESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000968645209 1335995628 /nfs/dbraw/zinc/99/56/28/1335995628.db2.gz RCMJYRMGWZQHDI-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968876504 1336076216 /nfs/dbraw/zinc/07/62/16/1336076216.db2.gz CGTRHPJDHQRVCC-MRXNPFEDSA-N 2 1 337.533 3.194 20 0 EGADMP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968876504 1336076219 /nfs/dbraw/zinc/07/62/19/1336076219.db2.gz CGTRHPJDHQRVCC-MRXNPFEDSA-N 2 1 337.533 3.194 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC000968904002 1336085458 /nfs/dbraw/zinc/08/54/58/1336085458.db2.gz FSCDTBZIWUMZDY-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1Cc1ccsc1 ZINC000968920831 1336089530 /nfs/dbraw/zinc/08/95/30/1336089530.db2.gz ZJFBOYKRNWTYEL-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1Cc1ccsc1 ZINC000968920831 1336089532 /nfs/dbraw/zinc/08/95/32/1336089532.db2.gz ZJFBOYKRNWTYEL-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccsc1 ZINC000968920831 1336089533 /nfs/dbraw/zinc/08/95/33/1336089533.db2.gz ZJFBOYKRNWTYEL-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1Cc1ccsc1 ZINC000968920831 1336089535 /nfs/dbraw/zinc/08/95/35/1336089535.db2.gz ZJFBOYKRNWTYEL-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CCC1 ZINC000968928550 1336093445 /nfs/dbraw/zinc/09/34/45/1336093445.db2.gz NVVDWFLEDGRKLH-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCC1 ZINC000968928550 1336093449 /nfs/dbraw/zinc/09/34/49/1336093449.db2.gz NVVDWFLEDGRKLH-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCC1 ZINC000968928550 1336093453 /nfs/dbraw/zinc/09/34/53/1336093453.db2.gz NVVDWFLEDGRKLH-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC1CC(C[N@H+]2CCCCC[C@@H]2CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000968934087 1336095151 /nfs/dbraw/zinc/09/51/51/1336095151.db2.gz MUCQXDLGFYXFKO-CTWPCTMYSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936451 1336095679 /nfs/dbraw/zinc/09/56/79/1336095679.db2.gz IGKQMYLEWTXZEV-AEFFLSMTSA-N 2 1 342.487 3.355 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CCC2CC2)C1 ZINC000968991358 1336112459 /nfs/dbraw/zinc/11/24/59/1336112459.db2.gz YIOXPBIQNYNACL-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CCC2CC2)C1 ZINC000968991358 1336112461 /nfs/dbraw/zinc/11/24/61/1336112461.db2.gz YIOXPBIQNYNACL-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCCCC[N@H+]2CCC2CC2)C1 ZINC000968991358 1336112462 /nfs/dbraw/zinc/11/24/62/1336112462.db2.gz YIOXPBIQNYNACL-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326287 1336294963 /nfs/dbraw/zinc/29/49/63/1336294963.db2.gz PNGIUSJYSSJMDP-PXNSSMCTSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001005503314 1336363116 /nfs/dbraw/zinc/36/31/16/1336363116.db2.gz KBGSKFDAVWOCLE-QLOJAFMTSA-N 2 1 349.563 3.218 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1Br ZINC001205617483 1370812903 /nfs/dbraw/zinc/81/29/03/1370812903.db2.gz KFXGDSMMWARILV-TZMCWYRMSA-N 2 1 341.293 3.265 20 0 EGADMP CN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001006119833 1336455081 /nfs/dbraw/zinc/45/50/81/1336455081.db2.gz NMOSNTLGBDBQGR-MOPGFXCFSA-N 2 1 349.563 3.362 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001006443485 1336507049 /nfs/dbraw/zinc/50/70/49/1336507049.db2.gz FETNFGCKDPNWCB-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007458338 1336651382 /nfs/dbraw/zinc/65/13/82/1336651382.db2.gz WFISSIARJNAFAW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001007458338 1336651384 /nfs/dbraw/zinc/65/13/84/1336651384.db2.gz WFISSIARJNAFAW-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CC3CCCCC3)C2)C1 ZINC001007495475 1336657739 /nfs/dbraw/zinc/65/77/39/1336657739.db2.gz JURMWEVMCOHUIP-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)C1 ZINC001007495475 1336657741 /nfs/dbraw/zinc/65/77/41/1336657741.db2.gz JURMWEVMCOHUIP-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)C1 ZINC001007495475 1336657743 /nfs/dbraw/zinc/65/77/43/1336657743.db2.gz JURMWEVMCOHUIP-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001007499812 1336658587 /nfs/dbraw/zinc/65/85/87/1336658587.db2.gz QNNDJGGMTGDHNN-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001007499812 1336658590 /nfs/dbraw/zinc/65/85/90/1336658590.db2.gz QNNDJGGMTGDHNN-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCC[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001007499812 1336658593 /nfs/dbraw/zinc/65/85/93/1336658593.db2.gz QNNDJGGMTGDHNN-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCC2CCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001007956882 1336738663 /nfs/dbraw/zinc/73/86/63/1336738663.db2.gz YVOYSOOEQDYOHK-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCCC2CCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001007954338 1336738686 /nfs/dbraw/zinc/73/86/86/1336738686.db2.gz UFNHAHFRGWXGJG-GOSISDBHSA-N 2 1 340.471 3.109 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(Br)c2)CCC[C@H]1C[NH3+] ZINC001205995851 1370933189 /nfs/dbraw/zinc/93/31/89/1370933189.db2.gz RDDGTVKSKROMSQ-AAEUAGOBSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccnc(Br)c2Cl)CCC[C@@H]1C[NH3+] ZINC001206036476 1370944545 /nfs/dbraw/zinc/94/45/45/1370944545.db2.gz JYXLMMIZFVRKPX-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001009164931 1336979666 /nfs/dbraw/zinc/97/96/66/1336979666.db2.gz BHASCLSPEJPMBM-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001009164931 1336979669 /nfs/dbraw/zinc/97/96/69/1336979669.db2.gz BHASCLSPEJPMBM-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001009164931 1336979673 /nfs/dbraw/zinc/97/96/73/1336979673.db2.gz BHASCLSPEJPMBM-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2csc(C)c2)C1 ZINC001009631369 1337049379 /nfs/dbraw/zinc/04/93/79/1337049379.db2.gz BNVBFXPEECAOKU-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2csc(C)c2)C1 ZINC001009631369 1337049382 /nfs/dbraw/zinc/04/93/82/1337049382.db2.gz BNVBFXPEECAOKU-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2csc(C)c2)C1 ZINC001009631369 1337049386 /nfs/dbraw/zinc/04/93/86/1337049386.db2.gz BNVBFXPEECAOKU-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2csc(C)c2)C1 ZINC001009631369 1337049389 /nfs/dbraw/zinc/04/93/89/1337049389.db2.gz BNVBFXPEECAOKU-QZTJIDSGSA-N 2 1 349.544 3.012 20 0 EGADMP Cc1cc(Br)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1O ZINC001206325190 1371023690 /nfs/dbraw/zinc/02/36/90/1371023690.db2.gz GEXNJVMPNZRPFM-INIZCTEOSA-N 2 1 341.293 3.414 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001014720237 1337882409 /nfs/dbraw/zinc/88/24/09/1337882409.db2.gz CMSZLPQTDJFMTM-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001014720237 1337882414 /nfs/dbraw/zinc/88/24/14/1337882414.db2.gz CMSZLPQTDJFMTM-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001014720237 1337882419 /nfs/dbraw/zinc/88/24/19/1337882419.db2.gz CMSZLPQTDJFMTM-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001014728063 1337888722 /nfs/dbraw/zinc/88/87/22/1337888722.db2.gz KNOYNUOKMXVPRE-MJGOQNOKSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001014728063 1337888727 /nfs/dbraw/zinc/88/87/27/1337888727.db2.gz KNOYNUOKMXVPRE-MJGOQNOKSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001014728063 1337888731 /nfs/dbraw/zinc/88/87/31/1337888731.db2.gz KNOYNUOKMXVPRE-MJGOQNOKSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015291557 1338086502 /nfs/dbraw/zinc/08/65/02/1338086502.db2.gz SVLUDXSVYJNIKH-AZUAARDMSA-N 2 1 348.450 3.290 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001015504583 1338162145 /nfs/dbraw/zinc/16/21/45/1338162145.db2.gz PNACCGNMUDNHAA-PKOBYXMFSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001015704572 1338269966 /nfs/dbraw/zinc/26/99/66/1338269966.db2.gz CZBXFBZGZBUYGC-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001015704572 1338269970 /nfs/dbraw/zinc/26/99/70/1338269970.db2.gz CZBXFBZGZBUYGC-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001015704572 1338269973 /nfs/dbraw/zinc/26/99/73/1338269973.db2.gz CZBXFBZGZBUYGC-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1)[NH+]1CCCCCC1 ZINC001015792681 1338312496 /nfs/dbraw/zinc/31/24/96/1338312496.db2.gz BJIUEKJCVCUBOK-HKUYNNGSSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001015971589 1338385353 /nfs/dbraw/zinc/38/53/53/1338385353.db2.gz BRLVOONWGRQQAH-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001015971589 1338385357 /nfs/dbraw/zinc/38/53/57/1338385357.db2.gz BRLVOONWGRQQAH-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001015971589 1338385358 /nfs/dbraw/zinc/38/53/58/1338385358.db2.gz BRLVOONWGRQQAH-PMACEKPBSA-N 2 1 347.547 3.332 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001016339374 1338555131 /nfs/dbraw/zinc/55/51/31/1338555131.db2.gz PTIBSEOHJJPXAL-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001016339374 1338555136 /nfs/dbraw/zinc/55/51/36/1338555136.db2.gz PTIBSEOHJJPXAL-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001016339374 1338555140 /nfs/dbraw/zinc/55/51/40/1338555140.db2.gz PTIBSEOHJJPXAL-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016611685 1338663623 /nfs/dbraw/zinc/66/36/23/1338663623.db2.gz FEDGANMCTRONSL-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001016623572 1338667993 /nfs/dbraw/zinc/66/79/93/1338667993.db2.gz FAFWDKZDBCVSID-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016653003 1338679897 /nfs/dbraw/zinc/67/98/97/1338679897.db2.gz YEKDJRCZZHBTHV-ROUUACIJSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001016819660 1338737431 /nfs/dbraw/zinc/73/74/31/1338737431.db2.gz LSHVRVIBNKTWNX-KRWDZBQOSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001016860389 1338750078 /nfs/dbraw/zinc/75/00/78/1338750078.db2.gz PYZOQUZIMPBCCI-KRWDZBQOSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001017129247 1338884526 /nfs/dbraw/zinc/88/45/26/1338884526.db2.gz YLFCCIGWWAFKPH-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001017129247 1338884531 /nfs/dbraw/zinc/88/45/31/1338884531.db2.gz YLFCCIGWWAFKPH-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001017129247 1338884536 /nfs/dbraw/zinc/88/45/36/1338884536.db2.gz YLFCCIGWWAFKPH-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH+](C)CC3CCCC3)C2)CC[N@H+]1C ZINC001017134835 1338887775 /nfs/dbraw/zinc/88/77/75/1338887775.db2.gz YXOCNYGQHUEZKV-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[N@H+](C)CC3CCCC3)C2)CC[NH+]1C ZINC001017134835 1338887779 /nfs/dbraw/zinc/88/77/79/1338887779.db2.gz YXOCNYGQHUEZKV-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[N@@H+](C)CC3CCCC3)C2)CC[NH+]1C ZINC001017134835 1338887783 /nfs/dbraw/zinc/88/77/83/1338887783.db2.gz YXOCNYGQHUEZKV-SLFFLAALSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001017151966 1338901553 /nfs/dbraw/zinc/90/15/53/1338901553.db2.gz JHYANWJVMIBABJ-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001017151966 1338901556 /nfs/dbraw/zinc/90/15/56/1338901556.db2.gz JHYANWJVMIBABJ-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001017151966 1338901561 /nfs/dbraw/zinc/90/15/61/1338901561.db2.gz JHYANWJVMIBABJ-UXHICEINSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CCC2)C1 ZINC001017159646 1338908350 /nfs/dbraw/zinc/90/83/50/1338908350.db2.gz CDVYZSLDBXXVIL-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001017159646 1338908358 /nfs/dbraw/zinc/90/83/58/1338908358.db2.gz CDVYZSLDBXXVIL-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017159646 1338908360 /nfs/dbraw/zinc/90/83/60/1338908360.db2.gz CDVYZSLDBXXVIL-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001017618928 1339377818 /nfs/dbraw/zinc/37/78/18/1339377818.db2.gz VZEFHRGXGCNQRT-IJXRJRJASA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001017618928 1339377820 /nfs/dbraw/zinc/37/78/20/1339377820.db2.gz VZEFHRGXGCNQRT-IJXRJRJASA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@H](C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001017618928 1339377822 /nfs/dbraw/zinc/37/78/22/1339377822.db2.gz VZEFHRGXGCNQRT-IJXRJRJASA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001018024092 1339484418 /nfs/dbraw/zinc/48/44/18/1339484418.db2.gz PCBHIZYFUCQQPL-OKZBNKHCSA-N 2 1 346.519 3.118 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001018024092 1339484420 /nfs/dbraw/zinc/48/44/20/1339484420.db2.gz PCBHIZYFUCQQPL-OKZBNKHCSA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001028180528 1340470770 /nfs/dbraw/zinc/47/07/70/1340470770.db2.gz BTSVUCUFUXZAKE-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001028180528 1340470775 /nfs/dbraw/zinc/47/07/75/1340470775.db2.gz BTSVUCUFUXZAKE-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC001028180528 1340470779 /nfs/dbraw/zinc/47/07/79/1340470779.db2.gz BTSVUCUFUXZAKE-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCC1 ZINC001028252365 1340512842 /nfs/dbraw/zinc/51/28/42/1340512842.db2.gz UZMBNHDUYQDQPQ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC1 ZINC001028252365 1340512846 /nfs/dbraw/zinc/51/28/46/1340512846.db2.gz UZMBNHDUYQDQPQ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCC1 ZINC001028252365 1340512853 /nfs/dbraw/zinc/51/28/53/1340512853.db2.gz UZMBNHDUYQDQPQ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001028335278 1340572090 /nfs/dbraw/zinc/57/20/90/1340572090.db2.gz REARZDSLCOFSKL-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCC1 ZINC001028335278 1340572091 /nfs/dbraw/zinc/57/20/91/1340572091.db2.gz REARZDSLCOFSKL-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCC1 ZINC001028335278 1340572093 /nfs/dbraw/zinc/57/20/93/1340572093.db2.gz REARZDSLCOFSKL-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343537 1340583485 /nfs/dbraw/zinc/58/34/85/1340583485.db2.gz PCBWHDJWMCUTAH-MRXNPFEDSA-N 2 1 335.492 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001028537702 1340693535 /nfs/dbraw/zinc/69/35/35/1340693535.db2.gz QJXKEZCPSRAUSM-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001028537702 1340693539 /nfs/dbraw/zinc/69/35/39/1340693539.db2.gz QJXKEZCPSRAUSM-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001028537702 1340693541 /nfs/dbraw/zinc/69/35/41/1340693541.db2.gz QJXKEZCPSRAUSM-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001028845814 1340856766 /nfs/dbraw/zinc/85/67/66/1340856766.db2.gz QONOVXWFIBZQHN-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001028845814 1340856770 /nfs/dbraw/zinc/85/67/70/1340856770.db2.gz QONOVXWFIBZQHN-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001028845814 1340856775 /nfs/dbraw/zinc/85/67/75/1340856775.db2.gz QONOVXWFIBZQHN-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001028902545 1340879245 /nfs/dbraw/zinc/87/92/45/1340879245.db2.gz YWCSKWAXVNNGKB-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC([C@H](C)[NH2+]C(C)C)CC1 ZINC001029100712 1340930025 /nfs/dbraw/zinc/93/00/25/1340930025.db2.gz CYZWNDUILIUGOE-CVEARBPZSA-N 2 1 334.508 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC001029172221 1340948435 /nfs/dbraw/zinc/94/84/35/1340948435.db2.gz AAVBKCRKVWLMMT-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001029306080 1340969681 /nfs/dbraw/zinc/96/96/81/1340969681.db2.gz HETAVUIGIKVWIU-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001029306080 1340969682 /nfs/dbraw/zinc/96/96/82/1340969682.db2.gz HETAVUIGIKVWIU-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001029306080 1340969683 /nfs/dbraw/zinc/96/96/83/1340969683.db2.gz HETAVUIGIKVWIU-ZCNNSNEGSA-N 2 1 347.547 3.115 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001029345366 1340974725 /nfs/dbraw/zinc/97/47/25/1340974725.db2.gz UMMLFSOWEKUBDA-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001029345366 1340974729 /nfs/dbraw/zinc/97/47/29/1340974729.db2.gz UMMLFSOWEKUBDA-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001029345366 1340974731 /nfs/dbraw/zinc/97/47/31/1340974731.db2.gz UMMLFSOWEKUBDA-AQNXPRMDSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001029345513 1340974827 /nfs/dbraw/zinc/97/48/27/1340974827.db2.gz YJYGARXDNMMNDL-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001029345513 1340974829 /nfs/dbraw/zinc/97/48/29/1340974829.db2.gz YJYGARXDNMMNDL-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001029345513 1340974831 /nfs/dbraw/zinc/97/48/31/1340974831.db2.gz YJYGARXDNMMNDL-SLFFLAALSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001029359853 1340977296 /nfs/dbraw/zinc/97/72/96/1340977296.db2.gz LMXZBNDAZJTDLJ-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001029359853 1340977297 /nfs/dbraw/zinc/97/72/97/1340977297.db2.gz LMXZBNDAZJTDLJ-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC001029359853 1340977298 /nfs/dbraw/zinc/97/72/98/1340977298.db2.gz LMXZBNDAZJTDLJ-HSALFYBXSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001029759068 1341064695 /nfs/dbraw/zinc/06/46/95/1341064695.db2.gz KPLWBSQEBZNFEU-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001029759068 1341064696 /nfs/dbraw/zinc/06/46/96/1341064696.db2.gz KPLWBSQEBZNFEU-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001029759068 1341064697 /nfs/dbraw/zinc/06/46/97/1341064697.db2.gz KPLWBSQEBZNFEU-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)c1ccccc1 ZINC001030020720 1341159816 /nfs/dbraw/zinc/15/98/16/1341159816.db2.gz PBSBJXVPZXOAMF-HNJRGHQBSA-N 2 1 343.515 3.059 20 0 EGADMP O=C(NC1C[NH+](CCCC2CCC2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001030314770 1341178254 /nfs/dbraw/zinc/17/82/54/1341178254.db2.gz IIVIABMXMYYYPI-SFHVURJKSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC1C[NH+](CCCC2CCC2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001030314770 1341178255 /nfs/dbraw/zinc/17/82/55/1341178255.db2.gz IIVIABMXMYYYPI-SFHVURJKSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030444771 1341188051 /nfs/dbraw/zinc/18/80/51/1341188051.db2.gz MTXAINKENHWSBR-WOJBJXKFSA-N 2 1 343.515 3.201 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001030444771 1341188052 /nfs/dbraw/zinc/18/80/52/1341188052.db2.gz MTXAINKENHWSBR-WOJBJXKFSA-N 2 1 343.515 3.201 20 0 EGADMP CC(C)(C)CC[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001030831403 1341232108 /nfs/dbraw/zinc/23/21/08/1341232108.db2.gz HKVHXLHRFMMZSZ-GOSISDBHSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001030831403 1341232109 /nfs/dbraw/zinc/23/21/09/1341232109.db2.gz HKVHXLHRFMMZSZ-GOSISDBHSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC1C[NH+](CCC2=CCCCC2)C1 ZINC001031437554 1341342056 /nfs/dbraw/zinc/34/20/56/1341342056.db2.gz HALTYLORHYMGAQ-UHFFFAOYSA-N 2 1 341.499 3.053 20 0 EGADMP CCC(CC)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031918977 1341422002 /nfs/dbraw/zinc/42/20/02/1341422002.db2.gz ZSGRDLRSTOKIPI-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCC2=CCCCC2)C1 ZINC001032026221 1341441815 /nfs/dbraw/zinc/44/18/15/1341441815.db2.gz BAFPJDUTZFDGSR-FQEVSTJZSA-N 2 1 347.547 3.188 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCCC1 ZINC001032801974 1341618907 /nfs/dbraw/zinc/61/89/07/1341618907.db2.gz NZTNMWBZZPRFFI-PMACEKPBSA-N 2 1 347.547 3.118 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[NH+]1C1CCCC1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033365092 1341797062 /nfs/dbraw/zinc/79/70/62/1341797062.db2.gz KAUVESPNYMKIAH-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001033365092 1341797063 /nfs/dbraw/zinc/79/70/63/1341797063.db2.gz KAUVESPNYMKIAH-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001033365092 1341797064 /nfs/dbraw/zinc/79/70/64/1341797064.db2.gz KAUVESPNYMKIAH-UXHICEINSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001033467727 1341837787 /nfs/dbraw/zinc/83/77/87/1341837787.db2.gz RBXJILBLWOOSIL-UYAOXDASSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033656560 1341931999 /nfs/dbraw/zinc/93/19/99/1341931999.db2.gz CDFYRGSJQKCEES-CRAIPNDOSA-N 2 1 349.906 3.030 20 0 EGADMP CCCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033953371 1342111121 /nfs/dbraw/zinc/11/11/21/1342111121.db2.gz LCSLQHOWNADJTL-HXUWFJFHSA-N 2 1 345.531 3.127 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033989117 1342132850 /nfs/dbraw/zinc/13/28/50/1342132850.db2.gz KMXMRUPHNFTDHK-FXAWDEMLSA-N 2 1 345.531 3.331 20 0 EGADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001034044438 1342185229 /nfs/dbraw/zinc/18/52/29/1342185229.db2.gz BAFAKSQRNIVCEH-FQEVSTJZSA-N 2 1 343.515 3.085 20 0 EGADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001034046277 1342185561 /nfs/dbraw/zinc/18/55/61/1342185561.db2.gz RFOPGNMTNKLLSE-TWVNLXSWSA-N 2 1 349.906 3.037 20 0 EGADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001034046277 1342185570 /nfs/dbraw/zinc/18/55/70/1342185570.db2.gz RFOPGNMTNKLLSE-TWVNLXSWSA-N 2 1 349.906 3.037 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045540 1342185733 /nfs/dbraw/zinc/18/57/33/1342185733.db2.gz KVCMTFMZPIVZFN-FXAWDEMLSA-N 2 1 345.531 3.331 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034203614 1342314285 /nfs/dbraw/zinc/31/42/85/1342314285.db2.gz FXDDPKCZLLYXKF-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034203614 1342314290 /nfs/dbraw/zinc/31/42/90/1342314290.db2.gz FXDDPKCZLLYXKF-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034203614 1342314296 /nfs/dbraw/zinc/31/42/96/1342314296.db2.gz FXDDPKCZLLYXKF-OALUTQOASA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)=CC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034248557 1342345948 /nfs/dbraw/zinc/34/59/48/1342345948.db2.gz DKXNVCVNKCGKHC-MOPGFXCFSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034248557 1342345950 /nfs/dbraw/zinc/34/59/50/1342345950.db2.gz DKXNVCVNKCGKHC-MOPGFXCFSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034248557 1342345954 /nfs/dbraw/zinc/34/59/54/1342345954.db2.gz DKXNVCVNKCGKHC-MOPGFXCFSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034250127 1342346646 /nfs/dbraw/zinc/34/66/46/1342346646.db2.gz PKARYMRIKIAAFA-DLBZAZTESA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034250127 1342346649 /nfs/dbraw/zinc/34/66/49/1342346649.db2.gz PKARYMRIKIAAFA-DLBZAZTESA-N 2 1 346.519 3.167 20 0 EGADMP O=C(N[C@H]1CCCC[N@@H+](CCCC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001034291309 1342377156 /nfs/dbraw/zinc/37/71/56/1342377156.db2.gz SZKSCSHGESWEGZ-IBGZPJMESA-N 2 1 347.547 3.166 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331152 1342405961 /nfs/dbraw/zinc/40/59/61/1342405961.db2.gz RYDRCRYSQKJKMT-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034398123 1342465060 /nfs/dbraw/zinc/46/50/60/1342465060.db2.gz MHRLDBJLCCLXDW-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](CCCC2CCCC2)C1 ZINC001034398123 1342465063 /nfs/dbraw/zinc/46/50/63/1342465063.db2.gz MHRLDBJLCCLXDW-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](CCCC2CCCC2)C1 ZINC001034398123 1342465067 /nfs/dbraw/zinc/46/50/67/1342465067.db2.gz MHRLDBJLCCLXDW-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034430258 1342492543 /nfs/dbraw/zinc/49/25/43/1342492543.db2.gz CJQXWORLFHJRHE-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H](C(=O)N[C@H]1CCCC[N@@H+](CCC2CC2)C1)[NH+]1CCCCCC1 ZINC001034438407 1342500548 /nfs/dbraw/zinc/50/05/48/1342500548.db2.gz NKPHLECQPUFJBD-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC(C)C)C1 ZINC001034479756 1342536827 /nfs/dbraw/zinc/53/68/27/1342536827.db2.gz BBJPMOXCWJYQAF-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC(C)C)C1 ZINC001034479756 1342536829 /nfs/dbraw/zinc/53/68/29/1342536829.db2.gz BBJPMOXCWJYQAF-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC(C)C)C1 ZINC001034479756 1342536830 /nfs/dbraw/zinc/53/68/30/1342536830.db2.gz BBJPMOXCWJYQAF-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034480785 1342537579 /nfs/dbraw/zinc/53/75/79/1342537579.db2.gz NQUAAJVVJSFAPN-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCC2)C1 ZINC001034480785 1342537583 /nfs/dbraw/zinc/53/75/83/1342537583.db2.gz NQUAAJVVJSFAPN-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCC2)C1 ZINC001034480785 1342537587 /nfs/dbraw/zinc/53/75/87/1342537587.db2.gz NQUAAJVVJSFAPN-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](CCC3CCCCCC3)C2)C1 ZINC001034526197 1342583103 /nfs/dbraw/zinc/58/31/03/1342583103.db2.gz VQSTXQJEUOMQGG-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001034526197 1342583106 /nfs/dbraw/zinc/58/31/06/1342583106.db2.gz VQSTXQJEUOMQGG-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001034526197 1342583113 /nfs/dbraw/zinc/58/31/13/1342583113.db2.gz VQSTXQJEUOMQGG-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](CCC2=CCCCC2)C1 ZINC001034529943 1342585485 /nfs/dbraw/zinc/58/54/85/1342585485.db2.gz RLZSUZURNNMRGN-IBGZPJMESA-N 2 1 344.503 3.053 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](CCC2=CCCCC2)C1 ZINC001034529943 1342585487 /nfs/dbraw/zinc/58/54/87/1342585487.db2.gz RLZSUZURNNMRGN-IBGZPJMESA-N 2 1 344.503 3.053 20 0 EGADMP C[C@H](F)CC[N@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034535217 1342591472 /nfs/dbraw/zinc/59/14/72/1342591472.db2.gz CWKKIZVZXOWYBG-LPHOPBHVSA-N 2 1 349.494 3.081 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001034792125 1342761278 /nfs/dbraw/zinc/76/12/78/1342761278.db2.gz FQZPYVZKEZMMJK-VBSBHUPXSA-N 2 1 343.515 3.025 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001034795635 1342762758 /nfs/dbraw/zinc/76/27/58/1342762758.db2.gz NDXZJSIDJKOITE-FHWLQOOXSA-N 2 1 335.536 3.068 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001034797076 1342763230 /nfs/dbraw/zinc/76/32/30/1342763230.db2.gz VQMDLMARGAMQML-UFYCRDLUSA-N 2 1 347.547 3.378 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001034959084 1342853178 /nfs/dbraw/zinc/85/31/78/1342853178.db2.gz RAUYDWWDQAQPKZ-WOJBJXKFSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCCC2)CC[N@H+]1C ZINC001035028763 1342885042 /nfs/dbraw/zinc/88/50/42/1342885042.db2.gz URLBSGOJBCDMKK-YSIASYRMSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001035051203 1342899100 /nfs/dbraw/zinc/89/91/00/1342899100.db2.gz LCSVEUPBTODCPM-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001035102671 1342927750 /nfs/dbraw/zinc/92/77/50/1342927750.db2.gz ZWNKKLBMSWWFNC-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC2 ZINC001035188079 1343002465 /nfs/dbraw/zinc/00/24/65/1343002465.db2.gz QOKYYXOCQJMTQT-GBESFXJTSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001035188079 1343002467 /nfs/dbraw/zinc/00/24/67/1343002467.db2.gz QOKYYXOCQJMTQT-GBESFXJTSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001035188079 1343002469 /nfs/dbraw/zinc/00/24/69/1343002469.db2.gz QOKYYXOCQJMTQT-GBESFXJTSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CCC2(CC[N@@H+](CCC(C)(C)C)C2)CC1)[NH+](C)C ZINC001035229305 1343050172 /nfs/dbraw/zinc/05/01/72/1343050172.db2.gz HGHTUQQCOYRIRW-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035236900 1343060050 /nfs/dbraw/zinc/06/00/50/1343060050.db2.gz FBWIBPXNEULDRD-MOPGFXCFSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035236900 1343060055 /nfs/dbraw/zinc/06/00/55/1343060055.db2.gz FBWIBPXNEULDRD-MOPGFXCFSA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035236900 1343060058 /nfs/dbraw/zinc/06/00/58/1343060058.db2.gz FBWIBPXNEULDRD-MOPGFXCFSA-N 2 1 347.547 3.118 20 0 EGADMP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035859125 1343235336 /nfs/dbraw/zinc/23/53/36/1343235336.db2.gz QTCIDPZEMIASBV-HDICACEKSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001036180446 1343349777 /nfs/dbraw/zinc/34/97/77/1343349777.db2.gz AYQNURGTIOTDCK-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CC1CCC1 ZINC001036580837 1343563922 /nfs/dbraw/zinc/56/39/22/1343563922.db2.gz IKHGWEQJLPTCCT-SJLPKXTDSA-N 2 1 346.519 3.023 20 0 EGADMP CC1CC[NH+](CC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCC(C)(C)C)C2)CC1 ZINC001036854705 1343788875 /nfs/dbraw/zinc/78/88/75/1343788875.db2.gz POHRRYVZSRFEHU-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036903239 1343850316 /nfs/dbraw/zinc/85/03/16/1343850316.db2.gz XNEZBJZTYHVGPF-AZUAARDMSA-N 2 1 343.515 3.085 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036904289 1343850715 /nfs/dbraw/zinc/85/07/15/1343850715.db2.gz PFNIAPXFKWXJEZ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001037045518 1343947235 /nfs/dbraw/zinc/94/72/35/1343947235.db2.gz VOLLWSQAXPSXGZ-RTBURBONSA-N 2 1 346.519 3.036 20 0 EGADMP CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001037861348 1344146798 /nfs/dbraw/zinc/14/67/98/1344146798.db2.gz QXZIMVCYFTXOQI-IEBWSBKVSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001038320219 1344378241 /nfs/dbraw/zinc/37/82/41/1344378241.db2.gz HJFQTMZKGVJDQY-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001038320219 1344378244 /nfs/dbraw/zinc/37/82/44/1344378244.db2.gz HJFQTMZKGVJDQY-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCC1 ZINC001038320219 1344378249 /nfs/dbraw/zinc/37/82/49/1344378249.db2.gz HJFQTMZKGVJDQY-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001038320198 1344378951 /nfs/dbraw/zinc/37/89/51/1344378951.db2.gz HGXYLUYJENJQSG-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001038320198 1344378954 /nfs/dbraw/zinc/37/89/54/1344378954.db2.gz HGXYLUYJENJQSG-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001038320198 1344378961 /nfs/dbraw/zinc/37/89/61/1344378961.db2.gz HGXYLUYJENJQSG-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001039133898 1344813203 /nfs/dbraw/zinc/81/32/03/1344813203.db2.gz LXOFIJVBIXKRTI-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CC[C@H](C2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001039133898 1344813210 /nfs/dbraw/zinc/81/32/10/1344813210.db2.gz LXOFIJVBIXKRTI-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+]1CC[C@H](C2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039133898 1344813215 /nfs/dbraw/zinc/81/32/15/1344813215.db2.gz LXOFIJVBIXKRTI-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001039183164 1344881628 /nfs/dbraw/zinc/88/16/28/1344881628.db2.gz WYIKNBUHIHBMJA-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001039183164 1344881630 /nfs/dbraw/zinc/88/16/30/1344881630.db2.gz WYIKNBUHIHBMJA-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001039183164 1344881634 /nfs/dbraw/zinc/88/16/34/1344881634.db2.gz WYIKNBUHIHBMJA-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CC)C2)CC1 ZINC001039185727 1344886068 /nfs/dbraw/zinc/88/60/68/1344886068.db2.gz WDXLQKYUGIVAFW-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CC)C2)CC1 ZINC001039185727 1344886074 /nfs/dbraw/zinc/88/60/74/1344886074.db2.gz WDXLQKYUGIVAFW-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001039185727 1344886079 /nfs/dbraw/zinc/88/60/79/1344886079.db2.gz WDXLQKYUGIVAFW-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214361 1344929764 /nfs/dbraw/zinc/92/97/64/1344929764.db2.gz OKPIKEWELLLJPD-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039214361 1344929767 /nfs/dbraw/zinc/92/97/67/1344929767.db2.gz OKPIKEWELLLJPD-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039214361 1344929770 /nfs/dbraw/zinc/92/97/70/1344929770.db2.gz OKPIKEWELLLJPD-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039226307 1344944816 /nfs/dbraw/zinc/94/48/16/1344944816.db2.gz WEDBGZFEMFPTPO-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001039235615 1344957434 /nfs/dbraw/zinc/95/74/34/1344957434.db2.gz QQJGTJRFLZDXEX-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001039235615 1344957435 /nfs/dbraw/zinc/95/74/35/1344957435.db2.gz QQJGTJRFLZDXEX-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039375528 1345033343 /nfs/dbraw/zinc/03/33/43/1345033343.db2.gz JNBPVBBVDDTJQK-MSOLQXFVSA-N 2 1 335.536 3.116 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001039380347 1345035801 /nfs/dbraw/zinc/03/58/01/1345035801.db2.gz SIMYQBHIKMJAGU-FUMNGEBKSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001039380347 1345035803 /nfs/dbraw/zinc/03/58/03/1345035803.db2.gz SIMYQBHIKMJAGU-FUMNGEBKSA-N 2 1 349.563 3.218 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001039380347 1345035806 /nfs/dbraw/zinc/03/58/06/1345035806.db2.gz SIMYQBHIKMJAGU-FUMNGEBKSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001039386746 1345038813 /nfs/dbraw/zinc/03/88/13/1345038813.db2.gz BSGSMRSLXAMDSX-AQNXPRMDSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001039386746 1345038816 /nfs/dbraw/zinc/03/88/16/1345038816.db2.gz BSGSMRSLXAMDSX-AQNXPRMDSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001039386746 1345038817 /nfs/dbraw/zinc/03/88/17/1345038817.db2.gz BSGSMRSLXAMDSX-AQNXPRMDSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001039444362 1345070106 /nfs/dbraw/zinc/07/01/06/1345070106.db2.gz BSHSMYKDGMWCAI-MSOLQXFVSA-N 2 1 344.503 3.038 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001039444362 1345070110 /nfs/dbraw/zinc/07/01/10/1345070110.db2.gz BSHSMYKDGMWCAI-MSOLQXFVSA-N 2 1 344.503 3.038 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001039473937 1345088567 /nfs/dbraw/zinc/08/85/67/1345088567.db2.gz JRRSHEIWASPVRH-MOPGFXCFSA-N 2 1 343.515 3.227 20 0 EGADMP CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(C)(C)C)[NH+](C)C ZINC001039658528 1345153928 /nfs/dbraw/zinc/15/39/28/1345153928.db2.gz OWGQCSPQTVRFAJ-KSZLIROESA-N 2 1 337.552 3.074 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CC=C(C)C)C2 ZINC001040232996 1345387591 /nfs/dbraw/zinc/38/75/91/1345387591.db2.gz UZXZVYKPDYCYSQ-TZIWHRDSSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC=C(C)C)C2 ZINC001040232996 1345387595 /nfs/dbraw/zinc/38/75/95/1345387595.db2.gz UZXZVYKPDYCYSQ-TZIWHRDSSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC=C(C)C)C2 ZINC001040232996 1345387597 /nfs/dbraw/zinc/38/75/97/1345387597.db2.gz UZXZVYKPDYCYSQ-TZIWHRDSSA-N 2 1 347.547 3.142 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040242202 1345392356 /nfs/dbraw/zinc/39/23/56/1345392356.db2.gz XCDPGMRABGYZNN-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040245841 1345394178 /nfs/dbraw/zinc/39/41/78/1345394178.db2.gz YODIDFASAWOHEJ-PZJWPPBQSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040245841 1345394180 /nfs/dbraw/zinc/39/41/80/1345394180.db2.gz YODIDFASAWOHEJ-PZJWPPBQSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040245841 1345394182 /nfs/dbraw/zinc/39/41/82/1345394182.db2.gz YODIDFASAWOHEJ-PZJWPPBQSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040387597 1345471058 /nfs/dbraw/zinc/47/10/58/1345471058.db2.gz DTVSYLBLSNMGRS-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001040387597 1345471061 /nfs/dbraw/zinc/47/10/61/1345471061.db2.gz DTVSYLBLSNMGRS-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001040387597 1345471063 /nfs/dbraw/zinc/47/10/63/1345471063.db2.gz DTVSYLBLSNMGRS-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(C)(C)C)C2 ZINC001040396980 1345475783 /nfs/dbraw/zinc/47/57/83/1345475783.db2.gz XLWOKPKXYQNRLT-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC(C)(C)C)C2 ZINC001040396980 1345475787 /nfs/dbraw/zinc/47/57/87/1345475787.db2.gz XLWOKPKXYQNRLT-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC(C)(C)C)C2 ZINC001040396980 1345475791 /nfs/dbraw/zinc/47/57/91/1345475791.db2.gz XLWOKPKXYQNRLT-RXVVDRJESA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430342 1345492995 /nfs/dbraw/zinc/49/29/95/1345492995.db2.gz AWWVHGCVVDTKBA-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@]3(C2)CCC[NH+](CCC(C)(C)C)C3)C1 ZINC001040493955 1345519380 /nfs/dbraw/zinc/51/93/80/1345519380.db2.gz RJVKEOJLPXOEBU-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC(C)(C)C)C3)C1 ZINC001040493955 1345519382 /nfs/dbraw/zinc/51/93/82/1345519382.db2.gz RJVKEOJLPXOEBU-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC(C)(C)C)C3)C1 ZINC001040493955 1345519386 /nfs/dbraw/zinc/51/93/86/1345519386.db2.gz RJVKEOJLPXOEBU-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(C)C)C2 ZINC001040544861 1345539616 /nfs/dbraw/zinc/53/96/16/1345539616.db2.gz LHXMKKDGYOLOGK-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC(C)C)C2 ZINC001040544861 1345539620 /nfs/dbraw/zinc/53/96/20/1345539620.db2.gz LHXMKKDGYOLOGK-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC(C)C)C2 ZINC001040544861 1345539621 /nfs/dbraw/zinc/53/96/21/1345539621.db2.gz LHXMKKDGYOLOGK-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](C(C)C)C2)[NH+]1CCCCC1 ZINC001040545070 1345540199 /nfs/dbraw/zinc/54/01/99/1345540199.db2.gz MKSCYJMFEPCHJN-TZIWHRDSSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CC=C(C)C)C2 ZINC001040545823 1345540236 /nfs/dbraw/zinc/54/02/36/1345540236.db2.gz VDPNZMSPYICEHF-TZIWHRDSSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC=C(C)C)C2 ZINC001040545823 1345540239 /nfs/dbraw/zinc/54/02/39/1345540239.db2.gz VDPNZMSPYICEHF-TZIWHRDSSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC=C(C)C)C2 ZINC001040545823 1345540240 /nfs/dbraw/zinc/54/02/40/1345540240.db2.gz VDPNZMSPYICEHF-TZIWHRDSSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](CCC(C)(C)C)CC3)CC[N@H+]1C ZINC001040707402 1345568036 /nfs/dbraw/zinc/56/80/36/1345568036.db2.gz BBCKPPGZHMOICX-QZTJIDSGSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001040746587 1345573745 /nfs/dbraw/zinc/57/37/45/1345573745.db2.gz DXDGRWXLVNDPLH-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](CCC(C)(C)C)C3)C2)CC[N@H+]1C ZINC001041301489 1345696340 /nfs/dbraw/zinc/69/63/40/1345696340.db2.gz MVBNELMKCYDQKJ-UEXGIBASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@H+](CCC(C)(C)C)C3)C2)CC[NH+]1C ZINC001041301489 1345696341 /nfs/dbraw/zinc/69/63/41/1345696341.db2.gz MVBNELMKCYDQKJ-UEXGIBASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)CC[NH+]1C ZINC001041301489 1345696343 /nfs/dbraw/zinc/69/63/43/1345696343.db2.gz MVBNELMKCYDQKJ-UEXGIBASSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCC3=CCCCC3)C2)C1)[NH+](C)C ZINC001041404492 1345719524 /nfs/dbraw/zinc/71/95/24/1345719524.db2.gz UHWSKERSOIHNCK-TZIWHRDSSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041590688 1345785248 /nfs/dbraw/zinc/78/52/48/1345785248.db2.gz SAUBNGGVLIOYBJ-CTNGQTDRSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041590688 1345785251 /nfs/dbraw/zinc/78/52/51/1345785251.db2.gz SAUBNGGVLIOYBJ-CTNGQTDRSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001041590688 1345785253 /nfs/dbraw/zinc/78/52/53/1345785253.db2.gz SAUBNGGVLIOYBJ-CTNGQTDRSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001041671686 1345817864 /nfs/dbraw/zinc/81/78/64/1345817864.db2.gz NGPOYVSIIFJZJN-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001041671686 1345817867 /nfs/dbraw/zinc/81/78/67/1345817867.db2.gz NGPOYVSIIFJZJN-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001041671686 1345817871 /nfs/dbraw/zinc/81/78/71/1345817871.db2.gz NGPOYVSIIFJZJN-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845497 1345871576 /nfs/dbraw/zinc/87/15/76/1345871576.db2.gz FSBUJQJZVIOOJX-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041846177 1345871889 /nfs/dbraw/zinc/87/18/89/1345871889.db2.gz YTSACMXPOCALNH-TZIWHRDSSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042125641 1345950880 /nfs/dbraw/zinc/95/08/80/1345950880.db2.gz VZIBQXMBKAENOH-PKOBYXMFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21 ZINC001042125641 1345950881 /nfs/dbraw/zinc/95/08/81/1345950881.db2.gz VZIBQXMBKAENOH-PKOBYXMFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001042125641 1345950882 /nfs/dbraw/zinc/95/08/82/1345950882.db2.gz VZIBQXMBKAENOH-PKOBYXMFSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCC2CCCCC2)C1 ZINC001043198082 1346152438 /nfs/dbraw/zinc/15/24/38/1346152438.db2.gz BPMQKQOMYYGXDQ-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCC2CCCCC2)C1 ZINC001043198082 1346152439 /nfs/dbraw/zinc/15/24/39/1346152439.db2.gz BPMQKQOMYYGXDQ-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCC(C)CC2)C1 ZINC001043198477 1346152558 /nfs/dbraw/zinc/15/25/58/1346152558.db2.gz QVAFXTIULPXBOI-QLOJAFMTSA-N 2 1 349.563 3.076 20 0 EGADMP C[C@@H](C(=O)N(C)C1C[NH+](CCC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001044003554 1346231945 /nfs/dbraw/zinc/23/19/45/1346231945.db2.gz NVDCHKIQCDEVQD-SFHVURJKSA-N 2 1 349.563 3.364 20 0 EGADMP CN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1C[NH+](CCC2=CCCCC2)C1 ZINC001044034097 1346237002 /nfs/dbraw/zinc/23/70/02/1346237002.db2.gz DLNMXHJYZVNHOL-AZUAARDMSA-N 2 1 345.531 3.036 20 0 EGADMP CN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1C[NH+](CCC2=CCCCC2)C1 ZINC001044034097 1346237006 /nfs/dbraw/zinc/23/70/06/1346237006.db2.gz DLNMXHJYZVNHOL-AZUAARDMSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001044741611 1346418242 /nfs/dbraw/zinc/41/82/42/1346418242.db2.gz CBWYIJZCUWYVBC-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045271592 1346545430 /nfs/dbraw/zinc/54/54/30/1346545430.db2.gz ZWNKKLBMSWWFNC-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001045461870 1346599687 /nfs/dbraw/zinc/59/96/87/1346599687.db2.gz RKZYKICUBNGAGE-QGZVFWFLSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001045475803 1346603027 /nfs/dbraw/zinc/60/30/27/1346603027.db2.gz RAGCHAQWEOIFSR-ROUUACIJSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001045776069 1346695605 /nfs/dbraw/zinc/69/56/05/1346695605.db2.gz GBKORQABMOJNII-QYZOEREBSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001045776069 1346695608 /nfs/dbraw/zinc/69/56/08/1346695608.db2.gz GBKORQABMOJNII-QYZOEREBSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001045776069 1346695611 /nfs/dbraw/zinc/69/56/11/1346695611.db2.gz GBKORQABMOJNII-QYZOEREBSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001045858336 1346722995 /nfs/dbraw/zinc/72/29/95/1346722995.db2.gz IVEYUWBMRSPZTM-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001045858336 1346722996 /nfs/dbraw/zinc/72/29/96/1346722996.db2.gz IVEYUWBMRSPZTM-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001045858336 1346722998 /nfs/dbraw/zinc/72/29/98/1346722998.db2.gz IVEYUWBMRSPZTM-HSALFYBXSA-N 2 1 347.547 3.115 20 0 EGADMP C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)[NH+]1CCCCCC1 ZINC001045858533 1346723214 /nfs/dbraw/zinc/72/32/14/1346723214.db2.gz MZMVCNIILKFIGT-SXLOBPIMSA-N 2 1 347.547 3.116 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@]2(CC[N@@H+](CC)C2)C1 ZINC001045938973 1346775185 /nfs/dbraw/zinc/77/51/85/1346775185.db2.gz QPCGRVZIPXXTDA-YLJYHZDGSA-N 2 1 346.519 3.121 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@]2(CC[N@H+](CC)C2)C1 ZINC001045938973 1346775189 /nfs/dbraw/zinc/77/51/89/1346775189.db2.gz QPCGRVZIPXXTDA-YLJYHZDGSA-N 2 1 346.519 3.121 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045942970 1346778565 /nfs/dbraw/zinc/77/85/65/1346778565.db2.gz DKZWEOGACCOSAD-PZJWPPBQSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001045960561 1346795968 /nfs/dbraw/zinc/79/59/68/1346795968.db2.gz MPGZJMRJTJVZPH-HXUWFJFHSA-N 2 1 347.503 3.069 20 0 EGADMP CC(C)[C@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1)[NH+](C)C ZINC001045965790 1346800940 /nfs/dbraw/zinc/80/09/40/1346800940.db2.gz WFFPAYUPQOPHTK-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001045974067 1346810211 /nfs/dbraw/zinc/81/02/11/1346810211.db2.gz XFBACPBGZZOGNG-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCC2CCCCC2)C1 ZINC001046316728 1346932491 /nfs/dbraw/zinc/93/24/91/1346932491.db2.gz QGZOMOVLKALRSR-FPOVZHCZSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCC2CCCCC2)C1 ZINC001046316728 1346932493 /nfs/dbraw/zinc/93/24/93/1346932493.db2.gz QGZOMOVLKALRSR-FPOVZHCZSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCC2CCCCC2)C1 ZINC001046316728 1346932496 /nfs/dbraw/zinc/93/24/96/1346932496.db2.gz QGZOMOVLKALRSR-FPOVZHCZSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001046739867 1347078317 /nfs/dbraw/zinc/07/83/17/1347078317.db2.gz XKEKYAVBDBRNSF-OAQYLSRUSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001047870098 1347394599 /nfs/dbraw/zinc/39/45/99/1347394599.db2.gz UEDMXPPYIDIVHB-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]([C@H](C)[NH2+]CC2CCC2)C1 ZINC001047988530 1347435090 /nfs/dbraw/zinc/43/50/90/1347435090.db2.gz JMAJLWJLCCUARU-WMZOPIPTSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001048526004 1347578077 /nfs/dbraw/zinc/57/80/77/1347578077.db2.gz IOOBVKJPBCEQSO-IYWMVGAKSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001048526004 1347578079 /nfs/dbraw/zinc/57/80/79/1347578079.db2.gz IOOBVKJPBCEQSO-IYWMVGAKSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001048526004 1347578082 /nfs/dbraw/zinc/57/80/82/1347578082.db2.gz IOOBVKJPBCEQSO-IYWMVGAKSA-N 2 1 349.563 3.265 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)CC1 ZINC001048602217 1347614612 /nfs/dbraw/zinc/61/46/12/1347614612.db2.gz LFKXCZGRHCKXMO-VAMGGRTRSA-N 2 1 347.547 3.093 20 0 EGADMP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001048607544 1347617110 /nfs/dbraw/zinc/61/71/10/1347617110.db2.gz WBYPRPBKFKUJQX-FHWLQOOXSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC001049462779 1347861102 /nfs/dbraw/zinc/86/11/02/1347861102.db2.gz CAFTWOQBPIAWJH-XUVXKRRUSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCC1 ZINC001049462779 1347861103 /nfs/dbraw/zinc/86/11/03/1347861103.db2.gz CAFTWOQBPIAWJH-XUVXKRRUSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCC1 ZINC001049462779 1347861106 /nfs/dbraw/zinc/86/11/06/1347861106.db2.gz CAFTWOQBPIAWJH-XUVXKRRUSA-N 2 1 347.547 3.115 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(C)C ZINC001049483997 1347871160 /nfs/dbraw/zinc/87/11/60/1347871160.db2.gz DUBADXOMGDIPAS-SQNIBIBYSA-N 2 1 346.519 3.118 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(C)C ZINC001049483997 1347871163 /nfs/dbraw/zinc/87/11/63/1347871163.db2.gz DUBADXOMGDIPAS-SQNIBIBYSA-N 2 1 346.519 3.118 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC001049507243 1347883491 /nfs/dbraw/zinc/88/34/91/1347883491.db2.gz FHCRJZQTMDGMFP-GBESFXJTSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049507243 1347883493 /nfs/dbraw/zinc/88/34/93/1347883493.db2.gz FHCRJZQTMDGMFP-GBESFXJTSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C ZINC001049507243 1347883495 /nfs/dbraw/zinc/88/34/95/1347883495.db2.gz FHCRJZQTMDGMFP-GBESFXJTSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514392 1347886671 /nfs/dbraw/zinc/88/66/71/1347886671.db2.gz DLOTWSJPTDNALO-XUVXKRRUSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001049514392 1347886672 /nfs/dbraw/zinc/88/66/72/1347886672.db2.gz DLOTWSJPTDNALO-XUVXKRRUSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514392 1347886677 /nfs/dbraw/zinc/88/66/77/1347886677.db2.gz DLOTWSJPTDNALO-XUVXKRRUSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1CC1 ZINC001049526172 1347892160 /nfs/dbraw/zinc/89/21/60/1347892160.db2.gz UAPATHNOBHXKJN-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CC1 ZINC001049526172 1347892162 /nfs/dbraw/zinc/89/21/62/1347892162.db2.gz UAPATHNOBHXKJN-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CC1 ZINC001049526172 1347892164 /nfs/dbraw/zinc/89/21/64/1347892164.db2.gz UAPATHNOBHXKJN-AQNXPRMDSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572666 1347915692 /nfs/dbraw/zinc/91/56/92/1347915692.db2.gz MRTMSIGXOBEAEW-KFKAGJAMSA-N 2 1 340.471 3.059 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589749 1347925597 /nfs/dbraw/zinc/92/55/97/1347925597.db2.gz BNCFZXPPUGTXGS-RTBURBONSA-N 2 1 340.471 3.059 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049637592 1347947764 /nfs/dbraw/zinc/94/77/64/1347947764.db2.gz HRNYOLNIFNBGOO-QZTJIDSGSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(C)(C)C)[NH+](C)C ZINC001049703660 1347981372 /nfs/dbraw/zinc/98/13/72/1347981372.db2.gz LXKGBBOBAYZDQJ-KZNAEPCWSA-N 2 1 337.552 3.074 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049719677 1347989939 /nfs/dbraw/zinc/98/99/39/1347989939.db2.gz RYUQRRRNEFHJSK-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049719677 1347989940 /nfs/dbraw/zinc/98/99/40/1347989940.db2.gz RYUQRRRNEFHJSK-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049719677 1347989942 /nfs/dbraw/zinc/98/99/42/1347989942.db2.gz RYUQRRRNEFHJSK-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCC1CCC1 ZINC001049725177 1347991636 /nfs/dbraw/zinc/99/16/36/1347991636.db2.gz VSJKHPNRIXJUSD-HOJAQTOUSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC1CCC1 ZINC001049725177 1347991638 /nfs/dbraw/zinc/99/16/38/1347991638.db2.gz VSJKHPNRIXJUSD-HOJAQTOUSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC1CCC1 ZINC001049725177 1347991641 /nfs/dbraw/zinc/99/16/41/1347991641.db2.gz VSJKHPNRIXJUSD-HOJAQTOUSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC1CCCC1 ZINC001049725281 1347991665 /nfs/dbraw/zinc/99/16/65/1347991665.db2.gz WHKFIOVXRQEMJD-HOJAQTOUSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CCCC1 ZINC001049725281 1347991668 /nfs/dbraw/zinc/99/16/68/1347991668.db2.gz WHKFIOVXRQEMJD-HOJAQTOUSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CCCC1 ZINC001049725281 1347991670 /nfs/dbraw/zinc/99/16/70/1347991670.db2.gz WHKFIOVXRQEMJD-HOJAQTOUSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC1CC1 ZINC001049767121 1348010645 /nfs/dbraw/zinc/01/06/45/1348010645.db2.gz NSYSPKLFZXYPKU-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CC1 ZINC001049767121 1348010646 /nfs/dbraw/zinc/01/06/46/1348010646.db2.gz NSYSPKLFZXYPKU-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CC1 ZINC001049767121 1348010648 /nfs/dbraw/zinc/01/06/48/1348010648.db2.gz NSYSPKLFZXYPKU-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP O=C(C[NH+]1CCCC1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1=CCCCC1 ZINC001049897879 1348098845 /nfs/dbraw/zinc/09/88/45/1348098845.db2.gz VFPVCBRWFJBCGR-VQTJNVASSA-N 2 1 345.531 3.038 20 0 EGADMP CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049912858 1348108533 /nfs/dbraw/zinc/10/85/33/1348108533.db2.gz PHQIVNDSOHYXOS-UXHICEINSA-N 2 1 343.515 3.227 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049913997 1348109081 /nfs/dbraw/zinc/10/90/81/1348109081.db2.gz LCDLJNYFKNLXHT-VAMGGRTRSA-N 2 1 343.515 3.155 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001049913997 1348109084 /nfs/dbraw/zinc/10/90/84/1348109084.db2.gz LCDLJNYFKNLXHT-VAMGGRTRSA-N 2 1 343.515 3.155 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21)[NH+](C)C ZINC001050075944 1348173922 /nfs/dbraw/zinc/17/39/22/1348173922.db2.gz QGPACZVULIWGNC-XUVXKRRUSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001050270935 1348224172 /nfs/dbraw/zinc/22/41/72/1348224172.db2.gz BKAOPGDJKUIVJI-VQIMIIECSA-N 2 1 331.504 3.236 20 0 EGADMP CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC001050543764 1348286852 /nfs/dbraw/zinc/28/68/52/1348286852.db2.gz LQNDLFXEWPMRIC-IBGZPJMESA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)=CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050542577 1348287088 /nfs/dbraw/zinc/28/70/88/1348287088.db2.gz HHJSVMCACMZGNK-IBGZPJMESA-N 2 1 347.547 3.140 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001079848916 1357400503 /nfs/dbraw/zinc/40/05/03/1357400503.db2.gz MRPNZPNVWIWXNT-BHIYHBOVSA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079848916 1357400506 /nfs/dbraw/zinc/40/05/06/1357400506.db2.gz MRPNZPNVWIWXNT-BHIYHBOVSA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079848916 1357400509 /nfs/dbraw/zinc/40/05/09/1357400509.db2.gz MRPNZPNVWIWXNT-BHIYHBOVSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC2CC(C)(C)C2)C[C@H]1C ZINC001079848692 1357400798 /nfs/dbraw/zinc/40/07/98/1357400798.db2.gz HFHWHXQEDMHWNS-BHIYHBOVSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001079848692 1357400802 /nfs/dbraw/zinc/40/08/02/1357400802.db2.gz HFHWHXQEDMHWNS-BHIYHBOVSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001079848692 1357400805 /nfs/dbraw/zinc/40/08/05/1357400805.db2.gz HFHWHXQEDMHWNS-BHIYHBOVSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001050687629 1348327375 /nfs/dbraw/zinc/32/73/75/1348327375.db2.gz ONLAKODWSKYIQW-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCc2c(CNC(=O)c3ccc4c[nH+]cn4c3)cccc2C1 ZINC001051293477 1348422187 /nfs/dbraw/zinc/42/21/87/1348422187.db2.gz RSJQNEDVXWSZGA-UHFFFAOYSA-N 2 1 348.450 3.032 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381409 1348536895 /nfs/dbraw/zinc/53/68/95/1348536895.db2.gz PZDAXGSWJOOMGM-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052381409 1348536896 /nfs/dbraw/zinc/53/68/96/1348536896.db2.gz PZDAXGSWJOOMGM-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052381409 1348536897 /nfs/dbraw/zinc/53/68/97/1348536897.db2.gz PZDAXGSWJOOMGM-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CCCC3CCCC3)CC2)CC[N@H+]1C ZINC001052391191 1348539156 /nfs/dbraw/zinc/53/91/56/1348539156.db2.gz MCNDANOTNIRMML-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](CCCC3CCCC3)CC2)CC[NH+]1C ZINC001052391191 1348539157 /nfs/dbraw/zinc/53/91/57/1348539157.db2.gz MCNDANOTNIRMML-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](CCCC3CCCC3)CC2)CC[NH+]1C ZINC001052391191 1348539161 /nfs/dbraw/zinc/53/91/61/1348539161.db2.gz MCNDANOTNIRMML-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052447945 1348544520 /nfs/dbraw/zinc/54/45/20/1348544520.db2.gz QKYJLQRSXFYOJB-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052447945 1348544522 /nfs/dbraw/zinc/54/45/22/1348544522.db2.gz QKYJLQRSXFYOJB-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052447945 1348544525 /nfs/dbraw/zinc/54/45/25/1348544525.db2.gz QKYJLQRSXFYOJB-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001052499152 1348559782 /nfs/dbraw/zinc/55/97/82/1348559782.db2.gz OTAHAYHHFZJCRW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001052499152 1348559784 /nfs/dbraw/zinc/55/97/84/1348559784.db2.gz OTAHAYHHFZJCRW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001052499152 1348559785 /nfs/dbraw/zinc/55/97/85/1348559785.db2.gz OTAHAYHHFZJCRW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC3=CCCCC3)CC2)CC1 ZINC001052680781 1348628411 /nfs/dbraw/zinc/62/84/11/1348628411.db2.gz UGIJSZPDFGBLQB-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001052715271 1348645996 /nfs/dbraw/zinc/64/59/96/1348645996.db2.gz BTVVCFHYLBSYGB-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001052715271 1348645998 /nfs/dbraw/zinc/64/59/98/1348645998.db2.gz BTVVCFHYLBSYGB-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001052715271 1348646000 /nfs/dbraw/zinc/64/60/00/1348646000.db2.gz BTVVCFHYLBSYGB-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052955580 1348769184 /nfs/dbraw/zinc/76/91/84/1348769184.db2.gz HPLMZCNCXQHXPE-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC001052955580 1348769188 /nfs/dbraw/zinc/76/91/88/1348769188.db2.gz HPLMZCNCXQHXPE-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001052955580 1348769190 /nfs/dbraw/zinc/76/91/90/1348769190.db2.gz HPLMZCNCXQHXPE-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053044614 1348845071 /nfs/dbraw/zinc/84/50/71/1348845071.db2.gz QQBIFUFCIYJTJG-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053044572 1348845514 /nfs/dbraw/zinc/84/55/14/1348845514.db2.gz QEBMWTSLCKFQIZ-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001053098978 1348931042 /nfs/dbraw/zinc/93/10/42/1348931042.db2.gz RRFDDYTXHPGQCB-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001053098978 1348931045 /nfs/dbraw/zinc/93/10/45/1348931045.db2.gz RRFDDYTXHPGQCB-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053100473 1348933252 /nfs/dbraw/zinc/93/32/52/1348933252.db2.gz HIIJRZRMKHWNIH-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053100945 1348934448 /nfs/dbraw/zinc/93/44/48/1348934448.db2.gz JXYCLWVLNWBVAR-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108531 1348947141 /nfs/dbraw/zinc/94/71/41/1348947141.db2.gz VVWGVSFVBCLVLZ-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054142483 1349153244 /nfs/dbraw/zinc/15/32/44/1349153244.db2.gz CQLRXOFFUVGJJF-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@]3(CC[NH+](CCC(C)(C)C)C3)C2)C1 ZINC001054197388 1349199552 /nfs/dbraw/zinc/19/95/52/1349199552.db2.gz ARPRJMZSUOHLQH-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@@]3(CC[N@H+](CCC(C)(C)C)C3)C2)C1 ZINC001054197388 1349199555 /nfs/dbraw/zinc/19/95/55/1349199555.db2.gz ARPRJMZSUOHLQH-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCC[C@@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)C1 ZINC001054197388 1349199556 /nfs/dbraw/zinc/19/95/56/1349199556.db2.gz ARPRJMZSUOHLQH-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CCCC3)C2)C1)[NH+](C)C ZINC001054199197 1349201306 /nfs/dbraw/zinc/20/13/06/1349201306.db2.gz PRQXWDAAUUTLRI-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCc2ccc3c(c2)C[NH+](C(C)C)C3)C1 ZINC001054277947 1349277785 /nfs/dbraw/zinc/27/77/85/1349277785.db2.gz FGNDDGSYYLDCJH-LJQANCHMSA-N 2 1 343.515 3.149 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCc2ccc3c(c2)C[N@H+](C(C)C)C3)C1 ZINC001054277947 1349277789 /nfs/dbraw/zinc/27/77/89/1349277789.db2.gz FGNDDGSYYLDCJH-LJQANCHMSA-N 2 1 343.515 3.149 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCc2ccc3c(c2)C[N@@H+](C(C)C)C3)C1 ZINC001054277947 1349277792 /nfs/dbraw/zinc/27/77/92/1349277792.db2.gz FGNDDGSYYLDCJH-LJQANCHMSA-N 2 1 343.515 3.149 20 0 EGADMP CCCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3CC)cc2C1 ZINC001054292662 1349298491 /nfs/dbraw/zinc/29/84/91/1349298491.db2.gz QQAYGLPFPVYSIW-HXUWFJFHSA-N 2 1 343.515 3.293 20 0 EGADMP CCCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3CC)cc2C1 ZINC001054292662 1349298494 /nfs/dbraw/zinc/29/84/94/1349298494.db2.gz QQAYGLPFPVYSIW-HXUWFJFHSA-N 2 1 343.515 3.293 20 0 EGADMP CCCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@H+]3CC)cc2C1 ZINC001054292662 1349298497 /nfs/dbraw/zinc/29/84/97/1349298497.db2.gz QQAYGLPFPVYSIW-HXUWFJFHSA-N 2 1 343.515 3.293 20 0 EGADMP CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080317993 1357572382 /nfs/dbraw/zinc/57/23/82/1357572382.db2.gz FKFGUJYFZXTLKW-BHIYHBOVSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001080317993 1357572387 /nfs/dbraw/zinc/57/23/87/1357572387.db2.gz FKFGUJYFZXTLKW-BHIYHBOVSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001080317993 1357572390 /nfs/dbraw/zinc/57/23/90/1357572390.db2.gz FKFGUJYFZXTLKW-BHIYHBOVSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001183137662 1387267971 /nfs/dbraw/zinc/26/79/71/1387267971.db2.gz BBJFWTJIRTYNFG-YFVAEKQCSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@H+]1CCC(C)(C)C ZINC001071653009 1354827834 /nfs/dbraw/zinc/82/78/34/1354827834.db2.gz RBTNADLZCXTKBZ-RDJZCZTQSA-N 2 1 342.487 3.353 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CCCC1CCC1 ZINC001071734808 1354887278 /nfs/dbraw/zinc/88/72/78/1354887278.db2.gz AXGHZUVYEPYFMZ-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CC1CCCCC1 ZINC001071821646 1354962130 /nfs/dbraw/zinc/96/21/30/1354962130.db2.gz ROVJYVUFIWPGJA-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CC1CCCCC1 ZINC001071821646 1354962133 /nfs/dbraw/zinc/96/21/33/1354962133.db2.gz ROVJYVUFIWPGJA-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CC1CCCCC1 ZINC001071821646 1354962135 /nfs/dbraw/zinc/96/21/35/1354962135.db2.gz ROVJYVUFIWPGJA-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071873519 1354998675 /nfs/dbraw/zinc/99/86/75/1354998675.db2.gz YATNNPMWKOFOSS-APWZRJJASA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001071919680 1355024994 /nfs/dbraw/zinc/02/49/94/1355024994.db2.gz GFYKKYFYELVKPK-IEBWSBKVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CCCCCC1)C2)[NH+](C)C ZINC001072832228 1355455976 /nfs/dbraw/zinc/45/59/76/1355455976.db2.gz ACRPICJKJRCTCY-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CCCC2)CC1 ZINC001074085974 1356074375 /nfs/dbraw/zinc/07/43/75/1356074375.db2.gz GJFMEPVUPCWBRQ-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001074091847 1356078300 /nfs/dbraw/zinc/07/83/00/1356078300.db2.gz IYRRBIXNGWLWDI-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001074091847 1356078303 /nfs/dbraw/zinc/07/83/03/1356078303.db2.gz IYRRBIXNGWLWDI-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001074091847 1356078306 /nfs/dbraw/zinc/07/83/06/1356078306.db2.gz IYRRBIXNGWLWDI-PKOBYXMFSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001074565026 1356209791 /nfs/dbraw/zinc/20/97/91/1356209791.db2.gz OBECKYGEYGFWGM-WDSOQIARSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)[C@@H]1C ZINC001074878004 1356276963 /nfs/dbraw/zinc/27/69/63/1356276963.db2.gz VXCNKMZRGDVGRZ-LNLFQRSKSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458887 1356391854 /nfs/dbraw/zinc/39/18/54/1356391854.db2.gz SALREMZGPVYZGB-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458887 1356391857 /nfs/dbraw/zinc/39/18/57/1356391857.db2.gz SALREMZGPVYZGB-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458887 1356391861 /nfs/dbraw/zinc/39/18/61/1356391861.db2.gz SALREMZGPVYZGB-MOPGFXCFSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21)[NH+]1CCCCCC1 ZINC001076324103 1356549260 /nfs/dbraw/zinc/54/92/60/1356549260.db2.gz NLALEOYTXRDWNH-CEXWTWQISA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001099297851 1363737057 /nfs/dbraw/zinc/73/70/57/1363737057.db2.gz JIUIXNQFDLDONU-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1 ZINC001099297851 1363737059 /nfs/dbraw/zinc/73/70/59/1363737059.db2.gz JIUIXNQFDLDONU-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCCC1 ZINC001099297851 1363737063 /nfs/dbraw/zinc/73/70/63/1363737063.db2.gz JIUIXNQFDLDONU-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCC2)C[C@H]1C ZINC001080756026 1357733121 /nfs/dbraw/zinc/73/31/21/1357733121.db2.gz GINIMNPOTRZZQA-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001080756026 1357733129 /nfs/dbraw/zinc/73/31/29/1357733129.db2.gz GINIMNPOTRZZQA-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001080756026 1357733136 /nfs/dbraw/zinc/73/31/36/1357733136.db2.gz GINIMNPOTRZZQA-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001183516833 1387316079 /nfs/dbraw/zinc/31/60/79/1387316079.db2.gz AUYALXBJJMWUQJ-SLYNCCJLSA-N 2 1 345.531 3.164 20 0 EGADMP C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCC(C)(C)C)C[C@H]21)[NH+]1CCCCCC1 ZINC001084701108 1358286127 /nfs/dbraw/zinc/28/61/27/1358286127.db2.gz OKCSXTDCZGCSTG-IPMKNSEASA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCC(C)(C)C)C[C@H]21)[NH+]1CCCC1 ZINC001084853106 1358328742 /nfs/dbraw/zinc/32/87/42/1358328742.db2.gz IAPMHBYNYSMATC-GUDVDZBRSA-N 2 1 349.563 3.076 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3CCCCCC3)[C@H]2C1)[NH+](C)C ZINC001085035898 1358372418 /nfs/dbraw/zinc/37/24/18/1358372418.db2.gz XSLAZBVQCVHMDU-AABGKKOBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCCC1)[NH+](C)C ZINC001323339782 1387343873 /nfs/dbraw/zinc/34/38/73/1387343873.db2.gz JHYSTWBNALYJTK-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC2CCCCC2)C1 ZINC001085639946 1358654173 /nfs/dbraw/zinc/65/41/73/1358654173.db2.gz ZDUPPXXBYSINJV-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CCCCC2)C1 ZINC001085639946 1358654176 /nfs/dbraw/zinc/65/41/76/1358654176.db2.gz ZDUPPXXBYSINJV-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CCCCC2)C1 ZINC001085639946 1358654179 /nfs/dbraw/zinc/65/41/79/1358654179.db2.gz ZDUPPXXBYSINJV-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CC1CCC(C)(C)CC1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085675067 1358678392 /nfs/dbraw/zinc/67/83/92/1358678392.db2.gz KFADEHCYEOPNJJ-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CC1CCC(C)(C)CC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085675067 1358678395 /nfs/dbraw/zinc/67/83/95/1358678395.db2.gz KFADEHCYEOPNJJ-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CN(C[C@@H]1CC[NH+]1CC1CCC(C)(C)CC1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001085675067 1358678399 /nfs/dbraw/zinc/67/83/99/1358678399.db2.gz KFADEHCYEOPNJJ-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC(C)(C)C ZINC001085687683 1358687735 /nfs/dbraw/zinc/68/77/35/1358687735.db2.gz SUWBXQVBUBMRSI-ROUUACIJSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001085687683 1358687741 /nfs/dbraw/zinc/68/77/41/1358687741.db2.gz SUWBXQVBUBMRSI-ROUUACIJSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001085687683 1358687747 /nfs/dbraw/zinc/68/77/47/1358687747.db2.gz SUWBXQVBUBMRSI-ROUUACIJSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1=CCCCC1 ZINC001085854866 1358821406 /nfs/dbraw/zinc/82/14/06/1358821406.db2.gz JPNLQZUHXOEZCK-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001085854866 1358821411 /nfs/dbraw/zinc/82/14/11/1358821411.db2.gz JPNLQZUHXOEZCK-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1=CCCCC1 ZINC001085854866 1358821416 /nfs/dbraw/zinc/82/14/16/1358821416.db2.gz JPNLQZUHXOEZCK-PMACEKPBSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086133783 1359005335 /nfs/dbraw/zinc/00/53/35/1359005335.db2.gz FVOFFXBPHAVIEK-ZCNNSNEGSA-N 2 1 347.547 3.092 20 0 EGADMP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001086399392 1359087014 /nfs/dbraw/zinc/08/70/14/1359087014.db2.gz AGLVOUGKYLIKEH-MUGJNUQGSA-N 2 1 347.547 3.068 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CCCCC3)C2)CC[N@H+]1C ZINC001086700050 1359187779 /nfs/dbraw/zinc/18/77/79/1359187779.db2.gz UYIXDEABPUKVIR-GSEOLPGOSA-N 2 1 349.563 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086883133 1359220207 /nfs/dbraw/zinc/22/02/07/1359220207.db2.gz QCHCVONACUWFDU-XUVXKRRUSA-N 2 1 349.563 3.316 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1CC1CCCCCC1 ZINC001087577749 1359539234 /nfs/dbraw/zinc/53/92/34/1359539234.db2.gz HLHRDTONKFHNJC-RSPOEFSDSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1CC1CCCCCC1 ZINC001087577749 1359539236 /nfs/dbraw/zinc/53/92/36/1359539236.db2.gz HLHRDTONKFHNJC-RSPOEFSDSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1CC1CCCCCC1 ZINC001087577749 1359539238 /nfs/dbraw/zinc/53/92/38/1359539238.db2.gz HLHRDTONKFHNJC-RSPOEFSDSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(CC)CC)[C@@H]1CC ZINC001087593446 1359547580 /nfs/dbraw/zinc/54/75/80/1359547580.db2.gz HFQWCDCGHZMJAV-IPMKNSEASA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(CC)CC)[C@@H]1CC ZINC001087593446 1359547583 /nfs/dbraw/zinc/54/75/83/1359547583.db2.gz HFQWCDCGHZMJAV-IPMKNSEASA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(CC)CC)[C@@H]1CC ZINC001087593446 1359547585 /nfs/dbraw/zinc/54/75/85/1359547585.db2.gz HFQWCDCGHZMJAV-IPMKNSEASA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCC(C)C)[C@@H]2CC)C1 ZINC001087696808 1359596441 /nfs/dbraw/zinc/59/64/41/1359596441.db2.gz NUMHHMZXGNJBET-GBESFXJTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CCC(C)C)[C@@H]2CC)C1 ZINC001087696808 1359596443 /nfs/dbraw/zinc/59/64/43/1359596443.db2.gz NUMHHMZXGNJBET-GBESFXJTSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CCC(C)C)[C@@H]2CC)C1 ZINC001087696808 1359596446 /nfs/dbraw/zinc/59/64/46/1359596446.db2.gz NUMHHMZXGNJBET-GBESFXJTSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@H+]1CCC1CCCCC1 ZINC001087725300 1359613353 /nfs/dbraw/zinc/61/33/53/1359613353.db2.gz KISBBCVFCZXPDM-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC[NH+]1CCC1CCCCC1 ZINC001087725300 1359613355 /nfs/dbraw/zinc/61/33/55/1359613355.db2.gz KISBBCVFCZXPDM-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC[NH+]1CCC1CCCCC1 ZINC001087725300 1359613357 /nfs/dbraw/zinc/61/33/57/1359613357.db2.gz KISBBCVFCZXPDM-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CC1CCCCC1 ZINC001087726198 1359614006 /nfs/dbraw/zinc/61/40/06/1359614006.db2.gz WBSDONXXKMWVGW-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC1CCCCC1 ZINC001087726198 1359614007 /nfs/dbraw/zinc/61/40/07/1359614007.db2.gz WBSDONXXKMWVGW-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CC1CCCCC1 ZINC001087726198 1359614010 /nfs/dbraw/zinc/61/40/10/1359614010.db2.gz WBSDONXXKMWVGW-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@H+]1CCCC1CCCC1 ZINC001087726760 1359614632 /nfs/dbraw/zinc/61/46/32/1359614632.db2.gz RJHAKAGTMIAWQC-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC[NH+]1CCCC1CCCC1 ZINC001087726760 1359614634 /nfs/dbraw/zinc/61/46/34/1359614634.db2.gz RJHAKAGTMIAWQC-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC[NH+]1CCCC1CCCC1 ZINC001087726760 1359614637 /nfs/dbraw/zinc/61/46/37/1359614637.db2.gz RJHAKAGTMIAWQC-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1CC ZINC001087762575 1359632496 /nfs/dbraw/zinc/63/24/96/1359632496.db2.gz BYUGLASKUMZOMO-RBUKOAKNSA-N 2 1 331.504 3.131 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129932 1359767910 /nfs/dbraw/zinc/76/79/10/1359767910.db2.gz NBBYLVHBNBOYMV-ZCNNSNEGSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC)C1 ZINC001088411906 1359883438 /nfs/dbraw/zinc/88/34/38/1359883438.db2.gz SUYNBKIQBAETJE-RTBURBONSA-N 2 1 337.552 3.412 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001088666712 1360007130 /nfs/dbraw/zinc/00/71/30/1360007130.db2.gz PDJKVHHLAMBVGG-NZSAHSFTSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001088666712 1360007131 /nfs/dbraw/zinc/00/71/31/1360007131.db2.gz PDJKVHHLAMBVGG-NZSAHSFTSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CC1CCC(C)(C)CC1 ZINC001088666712 1360007134 /nfs/dbraw/zinc/00/71/34/1360007134.db2.gz PDJKVHHLAMBVGG-NZSAHSFTSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CC1CCC(C)(C)CC1 ZINC001088666712 1360007136 /nfs/dbraw/zinc/00/71/36/1360007136.db2.gz PDJKVHHLAMBVGG-NZSAHSFTSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1CC1CCCCC1 ZINC001088708104 1360016340 /nfs/dbraw/zinc/01/63/40/1360016340.db2.gz FVZZTVOMPKEEAA-BEFAXECRSA-N 2 1 340.471 3.107 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001089070404 1360159177 /nfs/dbraw/zinc/15/91/77/1360159177.db2.gz CDWSHYBSEQKZGO-WBVHZDCISA-N 2 1 335.492 3.114 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001089235740 1360274397 /nfs/dbraw/zinc/27/43/97/1360274397.db2.gz BNEMWMLXEMTRLP-UUKMXZOPSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1)CC1CCCCCC1 ZINC001089257663 1360287975 /nfs/dbraw/zinc/28/79/75/1360287975.db2.gz RXXFZPLZZAZXNS-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1)CC1CCCCCC1 ZINC001089257663 1360287976 /nfs/dbraw/zinc/28/79/76/1360287976.db2.gz RXXFZPLZZAZXNS-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1)CC1CCCCCC1 ZINC001089257663 1360287978 /nfs/dbraw/zinc/28/79/78/1360287978.db2.gz RXXFZPLZZAZXNS-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCC2)CC(C)(C)C1 ZINC001089333642 1360347449 /nfs/dbraw/zinc/34/74/49/1360347449.db2.gz BMNJSPFOWBXHNK-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)CC(C)(C)C1 ZINC001089333642 1360347453 /nfs/dbraw/zinc/34/74/53/1360347453.db2.gz BMNJSPFOWBXHNK-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)CC(C)(C)C1 ZINC001089333642 1360347455 /nfs/dbraw/zinc/34/74/55/1360347455.db2.gz BMNJSPFOWBXHNK-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2=CCCCC2)CC(C)(C)C1 ZINC001089336512 1360349836 /nfs/dbraw/zinc/34/98/36/1360349836.db2.gz UWMFXISACYMELD-RBUKOAKNSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)CC(C)(C)C1 ZINC001089336512 1360349839 /nfs/dbraw/zinc/34/98/39/1360349839.db2.gz UWMFXISACYMELD-RBUKOAKNSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)CC(C)(C)C1 ZINC001089336512 1360349843 /nfs/dbraw/zinc/34/98/43/1360349843.db2.gz UWMFXISACYMELD-RBUKOAKNSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](C(C)C)CC(C)(C)C1 ZINC001089405766 1360404463 /nfs/dbraw/zinc/40/44/63/1360404463.db2.gz DULYYXHKRWICDU-QZTJIDSGSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@@H+](C(C)C)CC(C)(C)C1 ZINC001089405766 1360404466 /nfs/dbraw/zinc/40/44/66/1360404466.db2.gz DULYYXHKRWICDU-QZTJIDSGSA-N 2 1 337.552 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@H+](C(C)C)CC(C)(C)C1 ZINC001089405766 1360404469 /nfs/dbraw/zinc/40/44/69/1360404469.db2.gz DULYYXHKRWICDU-QZTJIDSGSA-N 2 1 337.552 3.265 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089488144 1360467713 /nfs/dbraw/zinc/46/77/13/1360467713.db2.gz REJIBEGJKKCZMJ-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089488144 1360467716 /nfs/dbraw/zinc/46/77/16/1360467716.db2.gz REJIBEGJKKCZMJ-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)CC(C)(C)C2)C1 ZINC001089488144 1360467717 /nfs/dbraw/zinc/46/77/17/1360467717.db2.gz REJIBEGJKKCZMJ-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089510497 1360481416 /nfs/dbraw/zinc/48/14/16/1360481416.db2.gz VGVSQBLKGBJBSJ-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089540181 1360497612 /nfs/dbraw/zinc/49/76/12/1360497612.db2.gz SFERKKBIHXEUDE-KRWDZBQOSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC=C(C)C)CC(C)(C)C1 ZINC001089564508 1360511617 /nfs/dbraw/zinc/51/16/17/1360511617.db2.gz ARKMNEZYTOKJHI-RTBURBONSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC=C(C)C)CC(C)(C)C1 ZINC001089564508 1360511619 /nfs/dbraw/zinc/51/16/19/1360511619.db2.gz ARKMNEZYTOKJHI-RTBURBONSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC=C(C)C)CC(C)(C)C1 ZINC001089564508 1360511620 /nfs/dbraw/zinc/51/16/20/1360511620.db2.gz ARKMNEZYTOKJHI-RTBURBONSA-N 2 1 349.563 3.434 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089564870 1360511739 /nfs/dbraw/zinc/51/17/39/1360511739.db2.gz KGZBXTDAJYEUDK-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001089564870 1360511741 /nfs/dbraw/zinc/51/17/41/1360511741.db2.gz KGZBXTDAJYEUDK-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1 ZINC001089564870 1360511744 /nfs/dbraw/zinc/51/17/44/1360511744.db2.gz KGZBXTDAJYEUDK-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1=CCCCC1 ZINC001089617491 1360538236 /nfs/dbraw/zinc/53/82/36/1360538236.db2.gz AFRSGUWOVONVQQ-RTBURBONSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1=CCCCC1 ZINC001089617491 1360538239 /nfs/dbraw/zinc/53/82/39/1360538239.db2.gz AFRSGUWOVONVQQ-RTBURBONSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1=CCCCC1 ZINC001089617491 1360538242 /nfs/dbraw/zinc/53/82/42/1360538242.db2.gz AFRSGUWOVONVQQ-RTBURBONSA-N 2 1 347.547 3.188 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001089649460 1360562766 /nfs/dbraw/zinc/56/27/66/1360562766.db2.gz JIFSYKWJUPZLHD-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001089649460 1360562768 /nfs/dbraw/zinc/56/27/68/1360562768.db2.gz JIFSYKWJUPZLHD-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001089649460 1360562770 /nfs/dbraw/zinc/56/27/70/1360562770.db2.gz JIFSYKWJUPZLHD-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089687668 1360593285 /nfs/dbraw/zinc/59/32/85/1360593285.db2.gz MRLCVZVJTUFROV-QGZVFWFLSA-N 2 1 349.519 3.362 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089687668 1360593287 /nfs/dbraw/zinc/59/32/87/1360593287.db2.gz MRLCVZVJTUFROV-QGZVFWFLSA-N 2 1 349.519 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001091026283 1360982248 /nfs/dbraw/zinc/98/22/48/1360982248.db2.gz LHCKXSQNHZZUQX-SOAGJPPSSA-N 2 1 349.563 3.314 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001091267149 1361026345 /nfs/dbraw/zinc/02/63/45/1361026345.db2.gz AVBVZCKNAKJQFR-SOAGJPPSSA-N 2 1 347.547 3.234 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001184609913 1387500174 /nfs/dbraw/zinc/50/01/74/1387500174.db2.gz YSPPZBGAGZZYNS-GOSISDBHSA-N 2 1 337.552 3.412 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092301395 1361359101 /nfs/dbraw/zinc/35/91/01/1361359101.db2.gz GTAGXIGTFWQESN-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2 ZINC001094450686 1361805820 /nfs/dbraw/zinc/80/58/20/1361805820.db2.gz ZSIZXCLDQGVOGQ-DBXWQHBBSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)(C)C)CC2 ZINC001094450686 1361805823 /nfs/dbraw/zinc/80/58/23/1361805823.db2.gz ZSIZXCLDQGVOGQ-DBXWQHBBSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)(C)C)CC2 ZINC001094450686 1361805825 /nfs/dbraw/zinc/80/58/25/1361805825.db2.gz ZSIZXCLDQGVOGQ-DBXWQHBBSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC001094453623 1361807526 /nfs/dbraw/zinc/80/75/26/1361807526.db2.gz ZTXXOVWRJNFEEB-UYAOXDASSA-N 2 1 340.471 3.027 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC)CC2 ZINC001094557370 1361858502 /nfs/dbraw/zinc/85/85/02/1361858502.db2.gz UXDURKUZEWEBKI-NLWGTHIKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC)CC2 ZINC001094557370 1361858504 /nfs/dbraw/zinc/85/85/04/1361858504.db2.gz UXDURKUZEWEBKI-NLWGTHIKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC)CC2 ZINC001094557370 1361858506 /nfs/dbraw/zinc/85/85/06/1361858506.db2.gz UXDURKUZEWEBKI-NLWGTHIKSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC001184811461 1387543727 /nfs/dbraw/zinc/54/37/27/1387543727.db2.gz XAURLVYJMIJXKE-FUHWJXTLSA-N 2 1 348.535 3.092 20 0 EGADMP CC(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001094950976 1361958254 /nfs/dbraw/zinc/95/82/54/1361958254.db2.gz XZMUKBAFWJIFDH-SCTDSRPQSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001184891454 1387556202 /nfs/dbraw/zinc/55/62/02/1387556202.db2.gz GPGDFBFBRLBDTH-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001096105214 1362384618 /nfs/dbraw/zinc/38/46/18/1362384618.db2.gz WEGOPYAWIJWVHY-XWSJACJDSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001096105214 1362384619 /nfs/dbraw/zinc/38/46/19/1362384619.db2.gz WEGOPYAWIJWVHY-XWSJACJDSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001096105214 1362384623 /nfs/dbraw/zinc/38/46/23/1362384623.db2.gz WEGOPYAWIJWVHY-XWSJACJDSA-N 2 1 335.536 3.017 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC2CCCC2)C1 ZINC001096348223 1362469732 /nfs/dbraw/zinc/46/97/32/1362469732.db2.gz GGFFGCIRKJVXBV-ZRNYENFQSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCCC2)C1 ZINC001096348223 1362469735 /nfs/dbraw/zinc/46/97/35/1362469735.db2.gz GGFFGCIRKJVXBV-ZRNYENFQSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCCC2)C1 ZINC001096348223 1362469737 /nfs/dbraw/zinc/46/97/37/1362469737.db2.gz GGFFGCIRKJVXBV-ZRNYENFQSA-N 2 1 347.547 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001096611114 1362595443 /nfs/dbraw/zinc/59/54/43/1362595443.db2.gz IYMYKLQRSIYIIF-YDZRNGNQSA-N 2 1 347.547 3.019 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1 ZINC001096611114 1362595445 /nfs/dbraw/zinc/59/54/45/1362595445.db2.gz IYMYKLQRSIYIIF-YDZRNGNQSA-N 2 1 347.547 3.019 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1 ZINC001096611114 1362595449 /nfs/dbraw/zinc/59/54/49/1362595449.db2.gz IYMYKLQRSIYIIF-YDZRNGNQSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001097163778 1362871539 /nfs/dbraw/zinc/87/15/39/1362871539.db2.gz MTZVFVFCQJJYNU-ZACQAIPSSA-N 2 1 349.544 3.191 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001097163778 1362871543 /nfs/dbraw/zinc/87/15/43/1362871543.db2.gz MTZVFVFCQJJYNU-ZACQAIPSSA-N 2 1 349.544 3.191 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001097406409 1362975073 /nfs/dbraw/zinc/97/50/73/1362975073.db2.gz YKYKXAVXMGGUBM-ZRNYENFQSA-N 2 1 349.563 3.265 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001097406409 1362975076 /nfs/dbraw/zinc/97/50/76/1362975076.db2.gz YKYKXAVXMGGUBM-ZRNYENFQSA-N 2 1 349.563 3.265 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001097406409 1362975081 /nfs/dbraw/zinc/97/50/81/1362975081.db2.gz YKYKXAVXMGGUBM-ZRNYENFQSA-N 2 1 349.563 3.265 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCCC2)C1 ZINC001097854037 1363142381 /nfs/dbraw/zinc/14/23/81/1363142381.db2.gz SWBUQJPEWXLBCQ-NBYUQASBSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCCC2)C1 ZINC001097854037 1363142382 /nfs/dbraw/zinc/14/23/82/1363142382.db2.gz SWBUQJPEWXLBCQ-NBYUQASBSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCCC2)C1 ZINC001097854037 1363142384 /nfs/dbraw/zinc/14/23/84/1363142384.db2.gz SWBUQJPEWXLBCQ-NBYUQASBSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC1 ZINC001098191512 1363250233 /nfs/dbraw/zinc/25/02/33/1363250233.db2.gz IXKDOTGZHLNMLU-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1 ZINC001098191512 1363250235 /nfs/dbraw/zinc/25/02/35/1363250235.db2.gz IXKDOTGZHLNMLU-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001098191512 1363250237 /nfs/dbraw/zinc/25/02/37/1363250237.db2.gz IXKDOTGZHLNMLU-YSTOQKLRSA-N 2 1 347.547 3.163 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)C ZINC001098191199 1363250573 /nfs/dbraw/zinc/25/05/73/1363250573.db2.gz APZFUJAWGHGCEW-YSTOQKLRSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)C ZINC001098191199 1363250574 /nfs/dbraw/zinc/25/05/74/1363250574.db2.gz APZFUJAWGHGCEW-YSTOQKLRSA-N 2 1 349.563 3.409 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001098191199 1363250576 /nfs/dbraw/zinc/25/05/76/1363250576.db2.gz APZFUJAWGHGCEW-YSTOQKLRSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001098975367 1363550278 /nfs/dbraw/zinc/55/02/78/1363550278.db2.gz HBZHYGQLOHBKEH-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001098975367 1363550282 /nfs/dbraw/zinc/55/02/82/1363550282.db2.gz HBZHYGQLOHBKEH-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001098975367 1363550285 /nfs/dbraw/zinc/55/02/85/1363550285.db2.gz HBZHYGQLOHBKEH-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1CC1)C2)[NH+]1CCCCCC1 ZINC001099059986 1363600248 /nfs/dbraw/zinc/60/02/48/1363600248.db2.gz SSDYUHORFHYZFF-LMNJBCLMSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CC1 ZINC001099106599 1363625310 /nfs/dbraw/zinc/62/53/10/1363625310.db2.gz JWSGMKHZNWVBCY-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001099106599 1363625313 /nfs/dbraw/zinc/62/53/13/1363625313.db2.gz JWSGMKHZNWVBCY-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001099106599 1363625316 /nfs/dbraw/zinc/62/53/16/1363625316.db2.gz JWSGMKHZNWVBCY-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCC(C)C)[NH+](C)C ZINC001099125537 1363637928 /nfs/dbraw/zinc/63/79/28/1363637928.db2.gz HUFCXPYDBWAZHN-QZTJIDSGSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCC1 ZINC001099130195 1363642048 /nfs/dbraw/zinc/64/20/48/1363642048.db2.gz HJPNJWQHQHFDTQ-KRWDZBQOSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001099130195 1363642051 /nfs/dbraw/zinc/64/20/51/1363642051.db2.gz HJPNJWQHQHFDTQ-KRWDZBQOSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCC1 ZINC001099130195 1363642052 /nfs/dbraw/zinc/64/20/52/1363642052.db2.gz HJPNJWQHQHFDTQ-KRWDZBQOSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099198686 1363687455 /nfs/dbraw/zinc/68/74/55/1363687455.db2.gz DBVGWSPINPVMLR-DVBCCOPCSA-N 2 1 349.563 3.291 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC1CCCC1 ZINC001099213683 1363695142 /nfs/dbraw/zinc/69/51/42/1363695142.db2.gz FWIMVDCVWLCFSX-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001099234528 1363705562 /nfs/dbraw/zinc/70/55/62/1363705562.db2.gz JUNHSJMREQBNBI-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1 ZINC001099234528 1363705565 /nfs/dbraw/zinc/70/55/65/1363705565.db2.gz JUNHSJMREQBNBI-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCCC1 ZINC001099234528 1363705568 /nfs/dbraw/zinc/70/55/68/1363705568.db2.gz JUNHSJMREQBNBI-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099239651 1363708369 /nfs/dbraw/zinc/70/83/69/1363708369.db2.gz IKMAIDYDYQFZHR-IRXDYDNUSA-N 2 1 325.541 3.124 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1cncn1C ZINC001099324513 1363750888 /nfs/dbraw/zinc/75/08/88/1363750888.db2.gz NKXCXBHJKRRSJW-AEFFLSMTSA-N 2 1 348.535 3.006 20 0 EGADMP CC[C@H](C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1cncn1C ZINC001099324517 1363751051 /nfs/dbraw/zinc/75/10/51/1363751051.db2.gz NKXCXBHJKRRSJW-WMZOPIPTSA-N 2 1 348.535 3.006 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339040 1363759107 /nfs/dbraw/zinc/75/91/07/1363759107.db2.gz CUPFOVBLUPKZPB-DUMMIQTOSA-N 2 1 335.536 3.045 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099354291 1363768581 /nfs/dbraw/zinc/76/85/81/1363768581.db2.gz QHUQJTDEEUJIRH-SFHVURJKSA-N 2 1 337.552 3.269 20 0 EGADMP CC/C=C/CC[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001100406720 1364104113 /nfs/dbraw/zinc/10/41/13/1364104113.db2.gz KJOHPSIVGGKKBS-BKBBAENRSA-N 2 1 335.536 3.090 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001100460008 1364122054 /nfs/dbraw/zinc/12/20/54/1364122054.db2.gz KWFHSRJPQZQTKO-UHFFFAOYSA-N 2 1 349.563 3.172 20 0 EGADMP C[C@H]([NH2+]C1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001100681252 1364216394 /nfs/dbraw/zinc/21/63/94/1364216394.db2.gz DHXSWYBKPBXOLQ-MUYFXNHWSA-N 2 1 345.531 3.210 20 0 EGADMP CCCCC[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001100729994 1364238067 /nfs/dbraw/zinc/23/80/67/1364238067.db2.gz ZGFAKSVWLIHELP-UHFFFAOYSA-N 2 1 334.508 3.071 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC001100831252 1364282371 /nfs/dbraw/zinc/28/23/71/1364282371.db2.gz NKDSQEMZEINRSA-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP CCCCCC[NH2+]C1CC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001101036718 1364384063 /nfs/dbraw/zinc/38/40/63/1364384063.db2.gz ZFFVQKKHIDYICM-LYBXBRPPSA-N 2 1 345.531 3.354 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(C)C)[C@H](C)C1 ZINC001185318192 1387681317 /nfs/dbraw/zinc/68/13/17/1387681317.db2.gz USYZZJRZAUGPDC-MOPGFXCFSA-N 2 1 339.568 3.229 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101230761 1364476621 /nfs/dbraw/zinc/47/66/21/1364476621.db2.gz IGGQKDVHICOCES-DYXWJJEUSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001101230761 1364476622 /nfs/dbraw/zinc/47/66/22/1364476622.db2.gz IGGQKDVHICOCES-DYXWJJEUSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001101230761 1364476623 /nfs/dbraw/zinc/47/66/23/1364476623.db2.gz IGGQKDVHICOCES-DYXWJJEUSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101474363 1364575570 /nfs/dbraw/zinc/57/55/70/1364575570.db2.gz VWHWCAAZGQZQGM-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001101541800 1364607346 /nfs/dbraw/zinc/60/73/46/1364607346.db2.gz WBPRYKVWYZWNED-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001101547869 1364612050 /nfs/dbraw/zinc/61/20/50/1364612050.db2.gz SYWDDICIZVATAP-KRWDZBQOSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001102059515 1364828214 /nfs/dbraw/zinc/82/82/14/1364828214.db2.gz SLTFXBUFCNDDBL-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001102059515 1364828219 /nfs/dbraw/zinc/82/82/19/1364828219.db2.gz SLTFXBUFCNDDBL-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP C[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001102059515 1364828223 /nfs/dbraw/zinc/82/82/23/1364828223.db2.gz SLTFXBUFCNDDBL-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001102114856 1364866712 /nfs/dbraw/zinc/86/67/12/1364866712.db2.gz HATZVBHWNQPGAJ-JCHUFIKGSA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC001102114856 1364866716 /nfs/dbraw/zinc/86/67/16/1364866716.db2.gz HATZVBHWNQPGAJ-JCHUFIKGSA-N 2 1 349.563 3.147 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H](C)C1 ZINC001102114856 1364866722 /nfs/dbraw/zinc/86/67/22/1364866722.db2.gz HATZVBHWNQPGAJ-JCHUFIKGSA-N 2 1 349.563 3.147 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375690 1365029642 /nfs/dbraw/zinc/02/96/42/1365029642.db2.gz XEFUMCFYHJRRPP-IAGOWNOFSA-N 2 1 339.568 3.085 20 0 EGADMP C[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102375690 1365029645 /nfs/dbraw/zinc/02/96/45/1365029645.db2.gz XEFUMCFYHJRRPP-IAGOWNOFSA-N 2 1 339.568 3.085 20 0 EGADMP C[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102375690 1365029648 /nfs/dbraw/zinc/02/96/48/1365029648.db2.gz XEFUMCFYHJRRPP-IAGOWNOFSA-N 2 1 339.568 3.085 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102598879 1365131508 /nfs/dbraw/zinc/13/15/08/1365131508.db2.gz DZNMEQJTKLYEBW-SBUVDCAVSA-N 2 1 349.563 3.293 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001102600069 1365131732 /nfs/dbraw/zinc/13/17/32/1365131732.db2.gz KPEHHRRFLSUEQP-FBYXPACISA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC001102600069 1365131739 /nfs/dbraw/zinc/13/17/39/1365131739.db2.gz KPEHHRRFLSUEQP-FBYXPACISA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)[C@H](C)C1 ZINC001102600069 1365131743 /nfs/dbraw/zinc/13/17/43/1365131743.db2.gz KPEHHRRFLSUEQP-FBYXPACISA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001103148100 1365409503 /nfs/dbraw/zinc/40/95/03/1365409503.db2.gz OIAAMURBKJTBSS-AHSYYPKJSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001103148100 1365409506 /nfs/dbraw/zinc/40/95/06/1365409506.db2.gz OIAAMURBKJTBSS-AHSYYPKJSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001103148100 1365409508 /nfs/dbraw/zinc/40/95/08/1365409508.db2.gz OIAAMURBKJTBSS-AHSYYPKJSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001103148101 1365409620 /nfs/dbraw/zinc/40/96/20/1365409620.db2.gz OIAAMURBKJTBSS-JCHUFIKGSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001103148101 1365409621 /nfs/dbraw/zinc/40/96/21/1365409621.db2.gz OIAAMURBKJTBSS-JCHUFIKGSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001103148101 1365409624 /nfs/dbraw/zinc/40/96/24/1365409624.db2.gz OIAAMURBKJTBSS-JCHUFIKGSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103375112 1365523290 /nfs/dbraw/zinc/52/32/90/1365523290.db2.gz ZRTRJOGGTWFNMC-JNVNVXKGSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001103663766 1365711925 /nfs/dbraw/zinc/71/19/25/1365711925.db2.gz SXNVQEYCTKANGC-FAPWYTRCSA-N 2 1 337.552 3.149 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001103663766 1365711928 /nfs/dbraw/zinc/71/19/28/1365711928.db2.gz SXNVQEYCTKANGC-FAPWYTRCSA-N 2 1 337.552 3.149 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001103663766 1365711930 /nfs/dbraw/zinc/71/19/30/1365711930.db2.gz SXNVQEYCTKANGC-FAPWYTRCSA-N 2 1 337.552 3.149 20 0 EGADMP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104265060 1365972192 /nfs/dbraw/zinc/97/21/92/1365972192.db2.gz RGTDJTIPTMEHRD-AHSYYPKJSA-N 2 1 349.563 3.291 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)C)C1 ZINC001104362658 1365988237 /nfs/dbraw/zinc/98/82/37/1365988237.db2.gz BNYMHPGANSOJFZ-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001104362777 1365988255 /nfs/dbraw/zinc/98/82/55/1365988255.db2.gz IXCMANRAXFOUCD-IAGOWNOFSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC001185763535 1387793363 /nfs/dbraw/zinc/79/33/63/1387793363.db2.gz SQAHNGPOMVDMRQ-ZWKOTPCHSA-N 2 1 339.568 3.227 20 0 EGADMP CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001105395590 1366444019 /nfs/dbraw/zinc/44/40/19/1366444019.db2.gz APOFHJAAUKYEER-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001105518298 1366505492 /nfs/dbraw/zinc/50/54/92/1366505492.db2.gz WFBWLPRLCSJKND-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105544323 1366521341 /nfs/dbraw/zinc/52/13/41/1366521341.db2.gz HGWXRODNHQBGMH-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC001105556820 1366529624 /nfs/dbraw/zinc/52/96/24/1366529624.db2.gz QLKZKTBUQCEMQO-GBESFXJTSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CC[C@@H](C)C2)CCC1 ZINC001105563067 1366532279 /nfs/dbraw/zinc/53/22/79/1366532279.db2.gz CDKNQTYQMSMGTP-MOPGFXCFSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+](C)CCC)CCC1 ZINC001105575117 1366539906 /nfs/dbraw/zinc/53/99/06/1366539906.db2.gz RMYATHFEQMJTFQ-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105579602 1366542795 /nfs/dbraw/zinc/54/27/95/1366542795.db2.gz SCJLKGLDNFMMSD-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)CCC1 ZINC001105579808 1366542832 /nfs/dbraw/zinc/54/28/32/1366542832.db2.gz WLXKJZHGLZZXHZ-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001106151438 1366614580 /nfs/dbraw/zinc/61/45/80/1366614580.db2.gz RZLWVLASPDFRKT-QVZWHDGZSA-N 2 1 349.563 3.147 20 0 EGADMP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106250239 1366633648 /nfs/dbraw/zinc/63/36/48/1366633648.db2.gz ZEUSFMGAWZZFRU-KURKYZTESA-N 2 1 346.519 3.025 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106249287 1366633709 /nfs/dbraw/zinc/63/37/09/1366633709.db2.gz FVNWESOMOQZSNV-JCHUFIKGSA-N 2 1 349.563 3.290 20 0 EGADMP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001106869142 1366820442 /nfs/dbraw/zinc/82/04/42/1366820442.db2.gz STFATAWGIMOACZ-RLLQIKCJSA-N 2 1 345.531 3.164 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(C)C)[C@H](C)C1)c1ccccc1 ZINC001106868118 1366820603 /nfs/dbraw/zinc/82/06/03/1366820603.db2.gz AUNGBYQYOBHXAK-MISYRCLQSA-N 2 1 345.531 3.020 20 0 EGADMP CCCC[N@H+]1CCC[C@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001324943749 1387839267 /nfs/dbraw/zinc/83/92/67/1387839267.db2.gz LMKGJFJSIZCOKA-HXUWFJFHSA-N 2 1 342.487 3.275 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCC(C)(C)C)CC2 ZINC001107329416 1366930418 /nfs/dbraw/zinc/93/04/18/1366930418.db2.gz TVPLKJKXMOEWMN-DBXWQHBBSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCC(C)(C)C)CC2 ZINC001107329416 1366930419 /nfs/dbraw/zinc/93/04/19/1366930419.db2.gz TVPLKJKXMOEWMN-DBXWQHBBSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC(C)(C)C)CC2 ZINC001107329416 1366930421 /nfs/dbraw/zinc/93/04/21/1366930421.db2.gz TVPLKJKXMOEWMN-DBXWQHBBSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC(C)C)CC2)[NH+](C)C ZINC001107450718 1366968053 /nfs/dbraw/zinc/96/80/53/1366968053.db2.gz LQPGWUNQINUBIY-QWFCFKBJSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107450799 1366968621 /nfs/dbraw/zinc/96/86/21/1366968621.db2.gz NLUXZLRGWKZHKT-QKNQBKEWSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001107450799 1366968623 /nfs/dbraw/zinc/96/86/23/1366968623.db2.gz NLUXZLRGWKZHKT-QKNQBKEWSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001107450799 1366968625 /nfs/dbraw/zinc/96/86/25/1366968625.db2.gz NLUXZLRGWKZHKT-QKNQBKEWSA-N 2 1 349.563 3.412 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546924 1367037650 /nfs/dbraw/zinc/03/76/50/1367037650.db2.gz TZQUHLRXICSRBV-BYZPHCBNSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546924 1367037657 /nfs/dbraw/zinc/03/76/57/1367037657.db2.gz TZQUHLRXICSRBV-BYZPHCBNSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546924 1367037662 /nfs/dbraw/zinc/03/76/62/1367037662.db2.gz TZQUHLRXICSRBV-BYZPHCBNSA-N 2 1 347.547 3.045 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107645259 1367090887 /nfs/dbraw/zinc/09/08/87/1367090887.db2.gz TVOPMWYXWJPQAK-TZIWHRDSSA-N 2 1 349.563 3.413 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001324958630 1387852325 /nfs/dbraw/zinc/85/23/25/1387852325.db2.gz VPVUYRQKFQWCJC-OAQYLSRUSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001189913463 1367130708 /nfs/dbraw/zinc/13/07/08/1367130708.db2.gz RIRPPNBONTUNPW-YZGWKJHDSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001189913463 1367130713 /nfs/dbraw/zinc/13/07/13/1367130713.db2.gz RIRPPNBONTUNPW-YZGWKJHDSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001189913463 1367130719 /nfs/dbraw/zinc/13/07/19/1367130719.db2.gz RIRPPNBONTUNPW-YZGWKJHDSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@@H+](CCC3CC3)C2)CC1 ZINC001324971975 1387859287 /nfs/dbraw/zinc/85/92/87/1387859287.db2.gz MNEVBHYXQWPUHA-NRFANRHFSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565416 1367201889 /nfs/dbraw/zinc/20/18/89/1367201889.db2.gz NYMZQAYXPGUWNT-SQNIBIBYSA-N 2 1 335.536 3.163 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001190246355 1367208537 /nfs/dbraw/zinc/20/85/37/1367208537.db2.gz BCSIIELXWPYTEX-MZIIKBMYSA-N 2 1 346.519 3.286 20 0 EGADMP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190246355 1367208541 /nfs/dbraw/zinc/20/85/41/1367208541.db2.gz BCSIIELXWPYTEX-MZIIKBMYSA-N 2 1 346.519 3.286 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190246355 1367208548 /nfs/dbraw/zinc/20/85/48/1367208548.db2.gz BCSIIELXWPYTEX-MZIIKBMYSA-N 2 1 346.519 3.286 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001190246349 1367209086 /nfs/dbraw/zinc/20/90/86/1367209086.db2.gz BCSIIELXWPYTEX-BTFXCVNISA-N 2 1 346.519 3.286 20 0 EGADMP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190246349 1367209092 /nfs/dbraw/zinc/20/90/92/1367209092.db2.gz BCSIIELXWPYTEX-BTFXCVNISA-N 2 1 346.519 3.286 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190246349 1367209094 /nfs/dbraw/zinc/20/90/94/1367209094.db2.gz BCSIIELXWPYTEX-BTFXCVNISA-N 2 1 346.519 3.286 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351387 1367235418 /nfs/dbraw/zinc/23/54/18/1367235418.db2.gz XEWQODHEFZSWCY-SLFFLAALSA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190351387 1367235421 /nfs/dbraw/zinc/23/54/21/1367235421.db2.gz XEWQODHEFZSWCY-SLFFLAALSA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190351387 1367235423 /nfs/dbraw/zinc/23/54/23/1367235423.db2.gz XEWQODHEFZSWCY-SLFFLAALSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001109773548 1367314505 /nfs/dbraw/zinc/31/45/05/1367314505.db2.gz ZUEJXVDMLFVCFA-SQNIBIBYSA-N 2 1 346.519 3.164 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001109773548 1367314510 /nfs/dbraw/zinc/31/45/10/1367314510.db2.gz ZUEJXVDMLFVCFA-SQNIBIBYSA-N 2 1 346.519 3.164 20 0 EGADMP C[N@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190654839 1367318977 /nfs/dbraw/zinc/31/89/77/1367318977.db2.gz MDJVZQPOSZUQNL-IRXDYDNUSA-N 2 1 346.519 3.120 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190654839 1367318983 /nfs/dbraw/zinc/31/89/83/1367318983.db2.gz MDJVZQPOSZUQNL-IRXDYDNUSA-N 2 1 346.519 3.120 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)CCC1CCCCC1)c1ccccc1 ZINC001190708849 1367332962 /nfs/dbraw/zinc/33/29/62/1367332962.db2.gz XLYIQNCXWNQQFZ-FQEVSTJZSA-N 2 1 345.531 3.308 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190744597 1367340861 /nfs/dbraw/zinc/34/08/61/1367340861.db2.gz SJXLOBIFDLATDE-HMTUNPETSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001190744597 1367340864 /nfs/dbraw/zinc/34/08/64/1367340864.db2.gz SJXLOBIFDLATDE-HMTUNPETSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001190744597 1367340869 /nfs/dbraw/zinc/34/08/69/1367340869.db2.gz SJXLOBIFDLATDE-HMTUNPETSA-N 2 1 335.536 3.140 20 0 EGADMP C[N@@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190743588 1367341365 /nfs/dbraw/zinc/34/13/65/1367341365.db2.gz LUWFPPYOFIUOSJ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001190743588 1367341366 /nfs/dbraw/zinc/34/13/66/1367341366.db2.gz LUWFPPYOFIUOSJ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001190743588 1367341368 /nfs/dbraw/zinc/34/13/68/1367341368.db2.gz LUWFPPYOFIUOSJ-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCCC2CCC2)C1 ZINC001191079613 1367419161 /nfs/dbraw/zinc/41/91/61/1367419161.db2.gz BOZFQILHXHFXGU-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1 ZINC001191079613 1367419164 /nfs/dbraw/zinc/41/91/64/1367419164.db2.gz BOZFQILHXHFXGU-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001191079613 1367419168 /nfs/dbraw/zinc/41/91/68/1367419168.db2.gz BOZFQILHXHFXGU-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001191223780 1367449834 /nfs/dbraw/zinc/44/98/34/1367449834.db2.gz PYHZQOBHIDUDNS-VQTJNVASSA-N 2 1 338.511 3.416 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1ccccc1C ZINC001110016335 1367459627 /nfs/dbraw/zinc/45/96/27/1367459627.db2.gz JCBGDALEOFTXOZ-HNJRGHQBSA-N 2 1 343.515 3.119 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ccccc1C ZINC001110016335 1367459629 /nfs/dbraw/zinc/45/96/29/1367459629.db2.gz JCBGDALEOFTXOZ-HNJRGHQBSA-N 2 1 343.515 3.119 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ccccc1C ZINC001110016335 1367459633 /nfs/dbraw/zinc/45/96/33/1367459633.db2.gz JCBGDALEOFTXOZ-HNJRGHQBSA-N 2 1 343.515 3.119 20 0 EGADMP CC(C)(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148248 1367525935 /nfs/dbraw/zinc/52/59/35/1367525935.db2.gz QDDJLUSQTDLOMO-QYZOEREBSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191550761 1367526008 /nfs/dbraw/zinc/52/60/08/1367526008.db2.gz GZCYABBPECEETJ-IBGZPJMESA-N 2 1 337.552 3.364 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001191550761 1367526013 /nfs/dbraw/zinc/52/60/13/1367526013.db2.gz GZCYABBPECEETJ-IBGZPJMESA-N 2 1 337.552 3.364 20 0 EGADMP CCCCC[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001191550761 1367526015 /nfs/dbraw/zinc/52/60/15/1367526015.db2.gz GZCYABBPECEETJ-IBGZPJMESA-N 2 1 337.552 3.364 20 0 EGADMP CC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191560258 1367527887 /nfs/dbraw/zinc/52/78/87/1367527887.db2.gz CJUZRPPTVJXVMM-DKFQHHCZSA-N 2 1 335.536 3.140 20 0 EGADMP CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001108772585 1367588132 /nfs/dbraw/zinc/58/81/32/1367588132.db2.gz VZQSTOHBYLGQNK-BZSNNMDCSA-N 2 1 346.519 3.166 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCCC(C)C)C1)[NH+](CC)CC ZINC001192326882 1367754079 /nfs/dbraw/zinc/75/40/79/1367754079.db2.gz UOHZPVQDLWBHLQ-ROUUACIJSA-N 2 1 325.541 3.076 20 0 EGADMP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192642935 1367841685 /nfs/dbraw/zinc/84/16/85/1367841685.db2.gz YFIYVSLIBCYUSF-SFHVURJKSA-N 2 1 348.535 3.366 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192642935 1367841688 /nfs/dbraw/zinc/84/16/88/1367841688.db2.gz YFIYVSLIBCYUSF-SFHVURJKSA-N 2 1 348.535 3.366 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1 ZINC001192858150 1367890387 /nfs/dbraw/zinc/89/03/87/1367890387.db2.gz NJNGFTUBXXKQPF-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001192858150 1367890389 /nfs/dbraw/zinc/89/03/89/1367890389.db2.gz NJNGFTUBXXKQPF-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CCCC(C)C)C1 ZINC001192905874 1367900931 /nfs/dbraw/zinc/90/09/31/1367900931.db2.gz GZGHXWHSINIHLV-IBGZPJMESA-N 2 1 339.568 3.467 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CCCC(C)C)C1 ZINC001192905874 1367900934 /nfs/dbraw/zinc/90/09/34/1367900934.db2.gz GZGHXWHSINIHLV-IBGZPJMESA-N 2 1 339.568 3.467 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CCCC(C)C)C1 ZINC001192905874 1367900936 /nfs/dbraw/zinc/90/09/36/1367900936.db2.gz GZGHXWHSINIHLV-IBGZPJMESA-N 2 1 339.568 3.467 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC2CCCC2)C1 ZINC001192906112 1367901818 /nfs/dbraw/zinc/90/18/18/1367901818.db2.gz ILTCYBRAQDNATK-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC001192906112 1367901821 /nfs/dbraw/zinc/90/18/21/1367901821.db2.gz ILTCYBRAQDNATK-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001192906112 1367901822 /nfs/dbraw/zinc/90/18/22/1367901822.db2.gz ILTCYBRAQDNATK-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193279986 1367988580 /nfs/dbraw/zinc/98/85/80/1367988580.db2.gz SDUURUBPXONGRI-MOPGFXCFSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193279986 1367988582 /nfs/dbraw/zinc/98/85/82/1367988582.db2.gz SDUURUBPXONGRI-MOPGFXCFSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193279986 1367988584 /nfs/dbraw/zinc/98/85/84/1367988584.db2.gz SDUURUBPXONGRI-MOPGFXCFSA-N 2 1 349.494 3.151 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001193560821 1368062750 /nfs/dbraw/zinc/06/27/50/1368062750.db2.gz VHGRLZVMBSDNDL-UYAOXDASSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC2CCC(C)CC2)C1 ZINC001193600280 1368069825 /nfs/dbraw/zinc/06/98/25/1368069825.db2.gz BPQYTEAXQGXTBJ-CTWPCTMYSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC2CCC(C)CC2)C1 ZINC001193600280 1368069828 /nfs/dbraw/zinc/06/98/28/1368069828.db2.gz BPQYTEAXQGXTBJ-CTWPCTMYSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC2CCC(C)CC2)C1 ZINC001193600280 1368069833 /nfs/dbraw/zinc/06/98/33/1368069833.db2.gz BPQYTEAXQGXTBJ-CTWPCTMYSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001193609781 1368073370 /nfs/dbraw/zinc/07/33/70/1368073370.db2.gz IVKFZNHWAIOYIP-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001193609781 1368073376 /nfs/dbraw/zinc/07/33/76/1368073376.db2.gz IVKFZNHWAIOYIP-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001193609781 1368073380 /nfs/dbraw/zinc/07/33/80/1368073380.db2.gz IVKFZNHWAIOYIP-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001110934377 1368105043 /nfs/dbraw/zinc/10/50/43/1368105043.db2.gz BDSMAYKUYQPUOL-WTGUMLROSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001110934377 1368105047 /nfs/dbraw/zinc/10/50/47/1368105047.db2.gz BDSMAYKUYQPUOL-WTGUMLROSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001110934377 1368105054 /nfs/dbraw/zinc/10/50/54/1368105054.db2.gz BDSMAYKUYQPUOL-WTGUMLROSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001110942203 1368110487 /nfs/dbraw/zinc/11/04/87/1368110487.db2.gz BAJSTVJTNCFPIF-QTMHVTGLSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001110942203 1368110491 /nfs/dbraw/zinc/11/04/91/1368110491.db2.gz BAJSTVJTNCFPIF-QTMHVTGLSA-N 2 1 335.536 3.019 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001110942203 1368110497 /nfs/dbraw/zinc/11/04/97/1368110497.db2.gz BAJSTVJTNCFPIF-QTMHVTGLSA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1)[NH+](CC)CC ZINC001111017907 1368144041 /nfs/dbraw/zinc/14/40/41/1368144041.db2.gz GHSLBHHGOJRZIZ-MKXGPGLRSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111025055 1368145596 /nfs/dbraw/zinc/14/55/96/1368145596.db2.gz JXALZQZIOQHFNW-MANSERQUSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001111025055 1368145598 /nfs/dbraw/zinc/14/55/98/1368145598.db2.gz JXALZQZIOQHFNW-MANSERQUSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001111025055 1368145605 /nfs/dbraw/zinc/14/56/05/1368145605.db2.gz JXALZQZIOQHFNW-MANSERQUSA-N 2 1 349.563 3.122 20 0 EGADMP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001111101037 1368158326 /nfs/dbraw/zinc/15/83/26/1368158326.db2.gz IUOMKYNWOSDXNO-TVFCKZIOSA-N 2 1 346.519 3.164 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001111101037 1368158328 /nfs/dbraw/zinc/15/83/28/1368158328.db2.gz IUOMKYNWOSDXNO-TVFCKZIOSA-N 2 1 346.519 3.164 20 0 EGADMP C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001111128028 1368161775 /nfs/dbraw/zinc/16/17/75/1368161775.db2.gz RNYKREOFKAEUKS-HPBDAGMYSA-N 2 1 346.519 3.136 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001111128028 1368161777 /nfs/dbraw/zinc/16/17/77/1368161777.db2.gz RNYKREOFKAEUKS-HPBDAGMYSA-N 2 1 346.519 3.136 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001111128028 1368161780 /nfs/dbraw/zinc/16/17/80/1368161780.db2.gz RNYKREOFKAEUKS-HPBDAGMYSA-N 2 1 346.519 3.136 20 0 EGADMP C[C@@H](C1CCCCC1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001194029122 1368169608 /nfs/dbraw/zinc/16/96/08/1368169608.db2.gz AVDQFYVTZYOUME-PXNSSMCTSA-N 2 1 345.531 3.306 20 0 EGADMP C[N@@H+](CCC1CCCC1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194081930 1368180322 /nfs/dbraw/zinc/18/03/22/1368180322.db2.gz ZFBQEIMAZIGSNQ-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH+](C)[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001194293772 1368225867 /nfs/dbraw/zinc/22/58/67/1368225867.db2.gz JAAMSMWVPYQCDK-OALUTQOASA-N 2 1 345.531 3.237 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001194293772 1368225870 /nfs/dbraw/zinc/22/58/70/1368225870.db2.gz JAAMSMWVPYQCDK-OALUTQOASA-N 2 1 345.531 3.237 20 0 EGADMP Cc1ccc(C)c([C@H](C)[N@H+](C)[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001194293772 1368225871 /nfs/dbraw/zinc/22/58/71/1368225871.db2.gz JAAMSMWVPYQCDK-OALUTQOASA-N 2 1 345.531 3.237 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)c1ccccc1 ZINC001111307257 1368261589 /nfs/dbraw/zinc/26/15/89/1368261589.db2.gz FTNSAQUDDVBBPQ-NBYUQASBSA-N 2 1 343.515 3.201 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ccccc1 ZINC001111307257 1368261595 /nfs/dbraw/zinc/26/15/95/1368261595.db2.gz FTNSAQUDDVBBPQ-NBYUQASBSA-N 2 1 343.515 3.201 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ccccc1 ZINC001111307257 1368261598 /nfs/dbraw/zinc/26/15/98/1368261598.db2.gz FTNSAQUDDVBBPQ-NBYUQASBSA-N 2 1 343.515 3.201 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001186362262 1387929441 /nfs/dbraw/zinc/92/94/41/1387929441.db2.gz FYVXZFANAZHMJR-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC2(CC2)CC1 ZINC001111312454 1368263337 /nfs/dbraw/zinc/26/33/37/1368263337.db2.gz HZBZJYKITAEYMB-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC2(CC2)CC1 ZINC001111312454 1368263339 /nfs/dbraw/zinc/26/33/39/1368263339.db2.gz HZBZJYKITAEYMB-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC2(CC2)CC1 ZINC001111312454 1368263343 /nfs/dbraw/zinc/26/33/43/1368263343.db2.gz HZBZJYKITAEYMB-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001111454328 1368310178 /nfs/dbraw/zinc/31/01/78/1368310178.db2.gz WXTDUMZLFWDEIR-AQNXPRMDSA-N 2 1 347.547 3.164 20 0 EGADMP FC(F)Oc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(OC(F)F)c1 ZINC001325321711 1387933869 /nfs/dbraw/zinc/93/38/69/1387933869.db2.gz YSWGYZJZFCSUMF-LLVKDONJSA-N 2 1 336.329 3.121 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785801 1368490439 /nfs/dbraw/zinc/49/04/39/1368490439.db2.gz VYLYZXUYRMCTTL-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001195785801 1368490442 /nfs/dbraw/zinc/49/04/42/1368490442.db2.gz VYLYZXUYRMCTTL-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001195785801 1368490443 /nfs/dbraw/zinc/49/04/43/1368490443.db2.gz VYLYZXUYRMCTTL-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001111915281 1368555703 /nfs/dbraw/zinc/55/57/03/1368555703.db2.gz WSRUAOMDYZUCAQ-CFQKCQFKSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001196163469 1368559452 /nfs/dbraw/zinc/55/94/52/1368559452.db2.gz OTBDRRBEPBZWSC-VOFKWLDRSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[NH+]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001196163469 1368559454 /nfs/dbraw/zinc/55/94/54/1368559454.db2.gz OTBDRRBEPBZWSC-VOFKWLDRSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[NH+]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001196163469 1368559457 /nfs/dbraw/zinc/55/94/57/1368559457.db2.gz OTBDRRBEPBZWSC-VOFKWLDRSA-N 2 1 335.536 3.140 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCCC(C)C)C2 ZINC001111950997 1368571442 /nfs/dbraw/zinc/57/14/42/1368571442.db2.gz NPZBGAYXDGENIE-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC(C)C)C2 ZINC001111950997 1368571445 /nfs/dbraw/zinc/57/14/45/1368571445.db2.gz NPZBGAYXDGENIE-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC(C)C)C2 ZINC001111950997 1368571448 /nfs/dbraw/zinc/57/14/48/1368571448.db2.gz NPZBGAYXDGENIE-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)[C@H](CC(C)C)n2ccnc2)CC1 ZINC001196242500 1368574881 /nfs/dbraw/zinc/57/48/81/1368574881.db2.gz KAYJYWBBGAWGPN-VOFKWLDRSA-N 2 1 346.519 3.361 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC001196340197 1368592330 /nfs/dbraw/zinc/59/23/30/1368592330.db2.gz FRUUMJJPOZOAPB-UHFFFAOYSA-N 2 1 335.536 3.142 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC001196340197 1368592335 /nfs/dbraw/zinc/59/23/35/1368592335.db2.gz FRUUMJJPOZOAPB-UHFFFAOYSA-N 2 1 335.536 3.142 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112004293 1368607851 /nfs/dbraw/zinc/60/78/51/1368607851.db2.gz UXEDGBBFKUYACK-CKXGLSNISA-N 2 1 347.547 3.189 20 0 EGADMP CCc1ccccc1[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC=C(C)C ZINC001325367349 1387952395 /nfs/dbraw/zinc/95/23/95/1387952395.db2.gz UDEUICXMHURATL-WOJBJXKFSA-N 2 1 343.515 3.056 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001196717924 1368669238 /nfs/dbraw/zinc/66/92/38/1368669238.db2.gz GKUNLZHNAONMKP-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001197396833 1368805759 /nfs/dbraw/zinc/80/57/59/1368805759.db2.gz QKGVQDJGCGJJMQ-UNQUKWGNSA-N 2 1 347.547 3.284 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001197396833 1368805766 /nfs/dbraw/zinc/80/57/66/1368805766.db2.gz QKGVQDJGCGJJMQ-UNQUKWGNSA-N 2 1 347.547 3.284 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001197396833 1368805769 /nfs/dbraw/zinc/80/57/69/1368805769.db2.gz QKGVQDJGCGJJMQ-UNQUKWGNSA-N 2 1 347.547 3.284 20 0 EGADMP CCC(CC)C[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197484648 1368824478 /nfs/dbraw/zinc/82/44/78/1368824478.db2.gz HNZUODMNMGVNSH-LJQANCHMSA-N 2 1 339.568 3.323 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001197809788 1368903837 /nfs/dbraw/zinc/90/38/37/1368903837.db2.gz INEBUUNWERLDPS-HEVSSNLLSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001112529935 1368915901 /nfs/dbraw/zinc/91/59/01/1368915901.db2.gz VZELIMSBKUQJKS-DYXWJJEUSA-N 2 1 349.563 3.127 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C(C)C)C1 ZINC001112546725 1368922485 /nfs/dbraw/zinc/92/24/85/1368922485.db2.gz ATDJDDNXCKFRDS-ICSRJNTNSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001112563042 1368929153 /nfs/dbraw/zinc/92/91/53/1368929153.db2.gz CEVMFXDSACQLSH-ZJOUEHCJSA-N 2 1 349.563 3.127 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001112965055 1369112770 /nfs/dbraw/zinc/11/27/70/1369112770.db2.gz DHNAFDHRCBBHHF-DPZZJQGRSA-N 2 1 347.547 3.284 20 0 EGADMP CCC/C=C/CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001112965055 1369112773 /nfs/dbraw/zinc/11/27/73/1369112773.db2.gz DHNAFDHRCBBHHF-DPZZJQGRSA-N 2 1 347.547 3.284 20 0 EGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001198968462 1369160951 /nfs/dbraw/zinc/16/09/51/1369160951.db2.gz IXUDOKWRGYFFMV-BRWVUGGUSA-N 2 1 335.561 3.451 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001186605936 1387984885 /nfs/dbraw/zinc/98/48/85/1387984885.db2.gz WMACOWWLXLRHPA-IBGZPJMESA-N 2 1 349.563 3.245 20 0 EGADMP CCc1ccccc1C[NH+]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001113337083 1369357204 /nfs/dbraw/zinc/35/72/04/1369357204.db2.gz PKGGOYOWTQQULB-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001200507897 1369383187 /nfs/dbraw/zinc/38/31/87/1369383187.db2.gz UCYJWQIASWDHOB-SFHVURJKSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001113402828 1369400953 /nfs/dbraw/zinc/40/09/53/1369400953.db2.gz GZSOGOKKVCMYCK-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[NH+](CCC2CCCCC2)CC1 ZINC001113433436 1369424372 /nfs/dbraw/zinc/42/43/72/1369424372.db2.gz KNFQHWICLNCLLU-UHFFFAOYSA-N 2 1 346.519 3.086 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c(OC(F)F)c1 ZINC001200811531 1369432406 /nfs/dbraw/zinc/43/24/06/1369432406.db2.gz FKURQVYKOSVKRX-ZIAGYGMSSA-N 2 1 328.403 3.259 20 0 EGADMP CC(C)(C)CC[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001201231116 1369500535 /nfs/dbraw/zinc/50/05/35/1369500535.db2.gz YTQNRWJJNGIROJ-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+]Cc2c(C)cccc2C)CC1 ZINC001201321203 1369519160 /nfs/dbraw/zinc/51/91/60/1369519160.db2.gz HNFYMCKKCSAJCS-UHFFFAOYSA-N 2 1 345.531 3.114 20 0 EGADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CC(C)C)CC2 ZINC001201471421 1369551414 /nfs/dbraw/zinc/55/14/14/1369551414.db2.gz SPVOFQQDRAJNNB-LJQANCHMSA-N 2 1 331.504 3.041 20 0 EGADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001325616883 1388011845 /nfs/dbraw/zinc/01/18/45/1388011845.db2.gz HXXXXJUHLNICSK-BCDXTJNWSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001201618061 1369591557 /nfs/dbraw/zinc/59/15/57/1369591557.db2.gz QPPSWHHEVDSFEJ-RTWAWAEBSA-N 2 1 334.548 3.493 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201618061 1369591560 /nfs/dbraw/zinc/59/15/60/1369591560.db2.gz QPPSWHHEVDSFEJ-RTWAWAEBSA-N 2 1 334.548 3.493 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201618061 1369591563 /nfs/dbraw/zinc/59/15/63/1369591563.db2.gz QPPSWHHEVDSFEJ-RTWAWAEBSA-N 2 1 334.548 3.493 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001201751900 1369616165 /nfs/dbraw/zinc/61/61/65/1369616165.db2.gz YFXVPYQPTNJSSB-WOJBJXKFSA-N 2 1 331.504 3.185 20 0 EGADMP CCCCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001201751900 1369616167 /nfs/dbraw/zinc/61/61/67/1369616167.db2.gz YFXVPYQPTNJSSB-WOJBJXKFSA-N 2 1 331.504 3.185 20 0 EGADMP Cn1cc(C[N@H+]2CCCC23CC[NH+](CCCC(F)(F)F)CC3)cn1 ZINC001202403896 1369762677 /nfs/dbraw/zinc/76/26/77/1369762677.db2.gz ANGSBGVOMFKDOE-UHFFFAOYSA-N 2 1 344.425 3.193 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001186929952 1388029803 /nfs/dbraw/zinc/02/98/03/1388029803.db2.gz BVZYHWQJYFILPX-FQEVSTJZSA-N 2 1 343.515 3.227 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC2CCCC2)C1)c1ccccc1 ZINC001187034617 1388043179 /nfs/dbraw/zinc/04/31/79/1388043179.db2.gz KCKNXLXWQWMBFV-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001114624730 1369998943 /nfs/dbraw/zinc/99/89/43/1369998943.db2.gz XPAZIJJNJBBANU-NXEFXDMPSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2C(NC(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001114624730 1369998945 /nfs/dbraw/zinc/99/89/45/1369998945.db2.gz XPAZIJJNJBBANU-NXEFXDMPSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H]2C(NC(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001114624730 1369998948 /nfs/dbraw/zinc/99/89/48/1369998948.db2.gz XPAZIJJNJBBANU-NXEFXDMPSA-N 2 1 347.547 3.044 20 0 EGADMP Cn1cccc1C[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001203260635 1370046771 /nfs/dbraw/zinc/04/67/71/1370046771.db2.gz YXXKJTCTPSKCHJ-UHFFFAOYSA-N 2 1 338.499 3.297 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001187034288 1388043456 /nfs/dbraw/zinc/04/34/56/1388043456.db2.gz CGRXESMLUZELMT-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP Cc1ccc(CN2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)o1 ZINC001203292153 1370065415 /nfs/dbraw/zinc/06/54/15/1370065415.db2.gz MJSBVXNSZRMEID-HBFSDRIKSA-N 2 1 342.487 3.158 20 0 EGADMP CCCCC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001203312983 1370078248 /nfs/dbraw/zinc/07/82/48/1370078248.db2.gz MBSZTALMZRYQKJ-HXUWFJFHSA-N 2 1 345.531 3.450 20 0 EGADMP CCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203494045 1370145011 /nfs/dbraw/zinc/14/50/11/1370145011.db2.gz YVJQBOQACIYQRO-QZTJIDSGSA-N 2 1 346.519 3.179 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203577002 1370176816 /nfs/dbraw/zinc/17/68/16/1370176816.db2.gz MNLKDJRPKFEYHF-JKCVZHOFSA-N 2 1 335.536 3.092 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203640880 1370197628 /nfs/dbraw/zinc/19/76/28/1370197628.db2.gz JVBASCUNGBYILF-MSOLQXFVSA-N 2 1 349.563 3.172 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203641642 1370198860 /nfs/dbraw/zinc/19/88/60/1370198860.db2.gz SQQTXXDUONSMQC-IKSUFZCESA-N 2 1 335.536 3.092 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203652691 1370203083 /nfs/dbraw/zinc/20/30/83/1370203083.db2.gz WPPHHLDQTJEFIV-IAGOWNOFSA-N 2 1 337.552 3.172 20 0 EGADMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)ccc3C)CC2)C1 ZINC001203752065 1370248934 /nfs/dbraw/zinc/24/89/34/1370248934.db2.gz QAALDHGJEQRFRL-GOSISDBHSA-N 2 1 344.499 3.153 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)ccc3C)CC2)C1 ZINC001203752065 1370248956 /nfs/dbraw/zinc/24/89/56/1370248956.db2.gz QAALDHGJEQRFRL-GOSISDBHSA-N 2 1 344.499 3.153 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203918750 1370314377 /nfs/dbraw/zinc/31/43/77/1370314377.db2.gz CAYANUXVICSIRN-FQEVSTJZSA-N 2 1 345.531 3.450 20 0 EGADMP CCCCOc1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1 ZINC001203971497 1370336135 /nfs/dbraw/zinc/33/61/35/1370336135.db2.gz YRXRXTIIEQRZIM-UHFFFAOYSA-N 2 1 345.487 3.496 20 0 EGADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc1 ZINC001204148319 1370390329 /nfs/dbraw/zinc/39/03/29/1370390329.db2.gz ITGUCBALWCXFTQ-RBUKOAKNSA-N 2 1 330.472 3.312 20 0 EGADMP COC(=O)c1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001204148319 1370390335 /nfs/dbraw/zinc/39/03/35/1370390335.db2.gz ITGUCBALWCXFTQ-RBUKOAKNSA-N 2 1 330.472 3.312 20 0 EGADMP COC(=O)c1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cc1 ZINC001204148319 1370390340 /nfs/dbraw/zinc/39/03/40/1370390340.db2.gz ITGUCBALWCXFTQ-RBUKOAKNSA-N 2 1 330.472 3.312 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115450443 1370458309 /nfs/dbraw/zinc/45/83/09/1370458309.db2.gz ASOGNJUUAOPDFB-SFHVURJKSA-N 2 1 335.536 3.070 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115450917 1370459267 /nfs/dbraw/zinc/45/92/67/1370459267.db2.gz TYZNBOWKYRTDDX-MSOLQXFVSA-N 2 1 337.552 3.172 20 0 EGADMP Cc1c(F)cccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001204510148 1370498893 /nfs/dbraw/zinc/49/88/93/1370498893.db2.gz UIWUUMYYCCITPX-UXHICEINSA-N 2 1 339.458 3.483 20 0 EGADMP Cc1c(F)cccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001204510148 1370498896 /nfs/dbraw/zinc/49/88/96/1370498896.db2.gz UIWUUMYYCCITPX-UXHICEINSA-N 2 1 339.458 3.483 20 0 EGADMP Cc1c(F)cccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001204510148 1370498900 /nfs/dbraw/zinc/49/89/00/1370498900.db2.gz UIWUUMYYCCITPX-UXHICEINSA-N 2 1 339.458 3.483 20 0 EGADMP Cc1c(F)cccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001204510148 1370498902 /nfs/dbraw/zinc/49/89/02/1370498902.db2.gz UIWUUMYYCCITPX-UXHICEINSA-N 2 1 339.458 3.483 20 0 EGADMP c1csc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001204548712 1370511571 /nfs/dbraw/zinc/51/15/71/1370511571.db2.gz AWNRPJXTIAGMDV-MSOLQXFVSA-N 2 1 327.497 3.487 20 0 EGADMP c1csc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001204548712 1370511573 /nfs/dbraw/zinc/51/15/73/1370511573.db2.gz AWNRPJXTIAGMDV-MSOLQXFVSA-N 2 1 327.497 3.487 20 0 EGADMP c1csc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001204548712 1370511575 /nfs/dbraw/zinc/51/15/75/1370511575.db2.gz AWNRPJXTIAGMDV-MSOLQXFVSA-N 2 1 327.497 3.487 20 0 EGADMP c1csc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001204548712 1370511577 /nfs/dbraw/zinc/51/15/77/1370511577.db2.gz AWNRPJXTIAGMDV-MSOLQXFVSA-N 2 1 327.497 3.487 20 0 EGADMP Cc1c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cnn1C ZINC001204577061 1370520484 /nfs/dbraw/zinc/52/04/84/1370520484.db2.gz PHUHAQOGNNDZCF-WOJBJXKFSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cnn1C ZINC001204577061 1370520488 /nfs/dbraw/zinc/52/04/88/1370520488.db2.gz PHUHAQOGNNDZCF-WOJBJXKFSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cnn1C ZINC001204577061 1370520492 /nfs/dbraw/zinc/52/04/92/1370520492.db2.gz PHUHAQOGNNDZCF-WOJBJXKFSA-N 2 1 338.499 3.073 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC3CCCC3)CCCCC2)CC[N@H+]1C ZINC001115545114 1370541717 /nfs/dbraw/zinc/54/17/17/1370541717.db2.gz RLTHXKUYZZZEGS-RBUKOAKNSA-N 2 1 349.563 3.316 20 0 EGADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)CC2)cc1 ZINC001204727570 1370556798 /nfs/dbraw/zinc/55/67/98/1370556798.db2.gz DFPNBFMYZCYDET-UHFFFAOYSA-N 3 1 341.543 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC=C(C)C)CCCCC1 ZINC001115562756 1370562191 /nfs/dbraw/zinc/56/21/91/1370562191.db2.gz JCMVQDMYCDNWPI-SFHVURJKSA-N 2 1 335.536 3.236 20 0 EGADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2cccc(-c3ccc(F)cc3F)c2)CCO1 ZINC001204755731 1370568072 /nfs/dbraw/zinc/56/80/72/1370568072.db2.gz HTXYKSKGQHLYMK-QGZVFWFLSA-N 2 1 332.394 3.181 20 0 EGADMP O=C(NCC1([NH2+]CC2CC2)CCCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001115572998 1370575316 /nfs/dbraw/zinc/57/53/16/1370575316.db2.gz CQBUVVKVYRFURM-IBGZPJMESA-N 2 1 347.547 3.212 20 0 EGADMP CCOC(=O)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC001204945440 1370612332 /nfs/dbraw/zinc/61/23/32/1370612332.db2.gz DJHRIQNTQYCQDB-HKUYNNGSSA-N 2 1 344.499 3.363 20 0 EGADMP CCOC(=O)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC001204945440 1370612333 /nfs/dbraw/zinc/61/23/33/1370612333.db2.gz DJHRIQNTQYCQDB-HKUYNNGSSA-N 2 1 344.499 3.363 20 0 EGADMP CCC[NH2+]C1(CNC(=O)CC[N@@H+](C)C2CCCCC2)CCCCC1 ZINC001115648250 1370636984 /nfs/dbraw/zinc/63/69/84/1370636984.db2.gz HMXYYUAMSNAPKU-UHFFFAOYSA-N 2 1 337.552 3.460 20 0 EGADMP CC(C)(C)OC(=O)c1cc(F)c(C[NH+]2CCC(C[NH3+])CC2)c(F)c1 ZINC001205052742 1370638517 /nfs/dbraw/zinc/63/85/17/1370638517.db2.gz BGYOEUKKJVQMSU-UHFFFAOYSA-N 2 1 340.414 3.091 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2([NH2+]CCC3CC3)CCCCC2)C1 ZINC001115688044 1370671102 /nfs/dbraw/zinc/67/11/02/1370671102.db2.gz IOMDEDHMYNAOTQ-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)c(F)c1)C2 ZINC001205223305 1370687108 /nfs/dbraw/zinc/68/71/08/1370687108.db2.gz ZCTZLQSKPYEKNZ-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)c(F)c1)C2 ZINC001205223305 1370687110 /nfs/dbraw/zinc/68/71/10/1370687110.db2.gz ZCTZLQSKPYEKNZ-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C)c(F)c1)C2 ZINC001205223305 1370687115 /nfs/dbraw/zinc/68/71/15/1370687115.db2.gz ZCTZLQSKPYEKNZ-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C)c(F)c1)C2 ZINC001205223305 1370687118 /nfs/dbraw/zinc/68/71/18/1370687118.db2.gz ZCTZLQSKPYEKNZ-FPOVZHCZSA-N 2 1 346.490 3.314 20 0 EGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cccnc2OCc2ccccc2)CC1 ZINC001205296857 1370711434 /nfs/dbraw/zinc/71/14/34/1370711434.db2.gz VFWMVMNTCFGLNQ-HXUWFJFHSA-N 2 1 325.456 3.364 20 0 EGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccnc2OCc2ccccc2)CC1 ZINC001205296857 1370711439 /nfs/dbraw/zinc/71/14/39/1370711439.db2.gz VFWMVMNTCFGLNQ-HXUWFJFHSA-N 2 1 325.456 3.364 20 0 EGADMP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730242 1370713056 /nfs/dbraw/zinc/71/30/56/1370713056.db2.gz GUWVEULWKRFWOH-HMTUNPETSA-N 2 1 349.563 3.339 20 0 EGADMP C[C@H]1CC[N@H+](Cc2c(Br)[nH]c3ccccc32)C[C@H]1C[NH3+] ZINC001205303169 1370713853 /nfs/dbraw/zinc/71/38/53/1370713853.db2.gz AHKXGRYJWXVLDP-NWDGAFQWSA-N 2 1 336.277 3.347 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c(Br)[nH]c3ccccc32)C[C@H]1C[NH3+] ZINC001205303169 1370713856 /nfs/dbraw/zinc/71/38/56/1370713856.db2.gz AHKXGRYJWXVLDP-NWDGAFQWSA-N 2 1 336.277 3.347 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)C[C@@H]1C[NH3+] ZINC001205314357 1370719081 /nfs/dbraw/zinc/71/90/81/1370719081.db2.gz BBYFETSPFDITAK-HIFRSBDPSA-N 2 1 331.410 3.444 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001187298749 1388091375 /nfs/dbraw/zinc/09/13/75/1388091375.db2.gz NJEDMPJUEYWKPF-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H](C)Cc2cnc[nH]2)CCCCC1 ZINC001115765901 1370750247 /nfs/dbraw/zinc/75/02/47/1370750247.db2.gz KYCGXIUISVVCFP-VGOKWCNXSA-N 2 1 346.519 3.353 20 0 EGADMP C[N@@H+](CC(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1)C1CCC1 ZINC001205469364 1370765343 /nfs/dbraw/zinc/76/53/43/1370765343.db2.gz AJOFIWNTIYPODU-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC001205545490 1370786686 /nfs/dbraw/zinc/78/66/86/1370786686.db2.gz IAEQDVOBKBIDBL-WOJBJXKFSA-N 2 1 333.495 3.194 20 0 EGADMP [NH3+]C[C@@]1(F)CCCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001205545490 1370786693 /nfs/dbraw/zinc/78/66/93/1370786693.db2.gz IAEQDVOBKBIDBL-WOJBJXKFSA-N 2 1 333.495 3.194 20 0 EGADMP [NH3+]C[C@@]1(F)CCCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001205545490 1370786699 /nfs/dbraw/zinc/78/66/99/1370786699.db2.gz IAEQDVOBKBIDBL-WOJBJXKFSA-N 2 1 333.495 3.194 20 0 EGADMP CCC/C=C\CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCCCC1 ZINC001115805683 1370789291 /nfs/dbraw/zinc/78/92/91/1370789291.db2.gz BFIRVQVAOQTIMP-FPLPWBNLSA-N 2 1 337.552 3.483 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2[nH]c(-c3ccccc3)nc2Cl)CC1 ZINC001205559001 1370791023 /nfs/dbraw/zinc/79/10/23/1370791023.db2.gz MZCQBAGSNHLNAV-KRWDZBQOSA-N 2 1 336.842 3.383 20 0 EGADMP CCn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001205563388 1370792764 /nfs/dbraw/zinc/79/27/64/1370792764.db2.gz OMDHYDJXASHPTF-SFTDATJTSA-N 2 1 338.499 3.247 20 0 EGADMP CCn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001205563388 1370792767 /nfs/dbraw/zinc/79/27/67/1370792767.db2.gz OMDHYDJXASHPTF-SFTDATJTSA-N 2 1 338.499 3.247 20 0 EGADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205570956 1370795603 /nfs/dbraw/zinc/79/56/03/1370795603.db2.gz QPZVHUJPVLMRPK-HNNXBMFYSA-N 2 1 329.257 3.410 20 0 EGADMP CC(C)Oc1ncc(Cl)cc1C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205578621 1370798456 /nfs/dbraw/zinc/79/84/56/1370798456.db2.gz HGTXLZGCFHSRKL-MRXNPFEDSA-N 2 1 329.847 3.175 20 0 EGADMP CC(C)Oc1ncc(Cl)cc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205578621 1370798462 /nfs/dbraw/zinc/79/84/62/1370798462.db2.gz HGTXLZGCFHSRKL-MRXNPFEDSA-N 2 1 329.847 3.175 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001205593881 1370803779 /nfs/dbraw/zinc/80/37/79/1370803779.db2.gz HECILECJQIUFPZ-KKHYBRAUSA-N 2 1 349.563 3.291 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccnc(OCc3ccccc3)c2)CC1 ZINC001205592573 1370803814 /nfs/dbraw/zinc/80/38/14/1370803814.db2.gz WOJHBKBUODXSAU-HXUWFJFHSA-N 2 1 343.446 3.314 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@H]1C[NH3+] ZINC001205601802 1370806593 /nfs/dbraw/zinc/80/65/93/1370806593.db2.gz GNZRRHMSVWLFGR-GIVPXCGWSA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@H]1C[NH3+] ZINC001205601802 1370806598 /nfs/dbraw/zinc/80/65/98/1370806598.db2.gz GNZRRHMSVWLFGR-GIVPXCGWSA-N 3 1 329.532 3.205 20 0 EGADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@H]1C[NH3+] ZINC001205601802 1370806603 /nfs/dbraw/zinc/80/66/03/1370806603.db2.gz GNZRRHMSVWLFGR-GIVPXCGWSA-N 2 1 329.532 3.205 20 0 EGADMP C[C@@H]1CC[N@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC[C@H]1C[NH3+] ZINC001205601802 1370806609 /nfs/dbraw/zinc/80/66/09/1370806609.db2.gz GNZRRHMSVWLFGR-GIVPXCGWSA-N 2 1 329.532 3.205 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC[C@H]1C[NH3+] ZINC001205601802 1370806616 /nfs/dbraw/zinc/80/66/16/1370806616.db2.gz GNZRRHMSVWLFGR-GIVPXCGWSA-N 2 1 329.532 3.205 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3F)nc2)CC[C@H]1C[NH3+] ZINC001205625947 1370816162 /nfs/dbraw/zinc/81/61/62/1370816162.db2.gz CUEQIZJFFXWTBC-HOCLYGCPSA-N 2 1 328.435 3.090 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1OCC1CC1 ZINC001205626947 1370816867 /nfs/dbraw/zinc/81/68/67/1370816867.db2.gz KVQYTPRMCUXZKZ-QAPCUYQASA-N 2 1 332.488 3.291 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)ccn2)CC[C@@H]1C[NH3+] ZINC001205637816 1370822153 /nfs/dbraw/zinc/82/21/53/1370822153.db2.gz IZINTUFJFUSUJX-IEBWSBKVSA-N 2 1 339.483 3.467 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(OC)cc1Cl ZINC001205638627 1370822663 /nfs/dbraw/zinc/82/26/63/1370822663.db2.gz QDIDOCULARNJFC-STQMWFEESA-N 2 1 326.868 3.164 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CC[C@@H]1C[NH3+] ZINC001205652302 1370828661 /nfs/dbraw/zinc/82/86/61/1370828661.db2.gz PEEVLJJWVKNCJL-CHWSQXEVSA-N 2 1 333.863 3.401 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2[nH]nc3cc(C(F)(F)F)ccc32)CC[C@@H]1C[NH3+] ZINC001205652439 1370829128 /nfs/dbraw/zinc/82/91/28/1370829128.db2.gz PPYOFZIMUYPARK-NWDGAFQWSA-N 2 1 340.393 3.389 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cn2)CC[C@H]1C[NH3+] ZINC001205653775 1370830262 /nfs/dbraw/zinc/83/02/62/1370830262.db2.gz VKUQMKLILQEIRA-HKUYNNGSSA-N 2 1 339.483 3.467 20 0 EGADMP COc1ccc(-c2ccccc2)c(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205726215 1370853512 /nfs/dbraw/zinc/85/35/12/1370853512.db2.gz RAKROVQPQMETTE-OAQYLSRUSA-N 2 1 340.467 3.038 20 0 EGADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001205735581 1370855828 /nfs/dbraw/zinc/85/58/28/1370855828.db2.gz OIZGGGIQCPIXAF-IBGZPJMESA-N 2 1 345.874 3.078 20 0 EGADMP CCC(CC)n1ccc(C(=O)Nc2cnccc2-n2ccnc2C)n1 ZINC001116317645 1370884445 /nfs/dbraw/zinc/88/44/45/1370884445.db2.gz YDUTZEJELVBBLC-UHFFFAOYSA-N 2 1 338.415 3.386 20 0 EGADMP C[N@H+]1CCCC[C@@H]1c1ccc(-c2cccc(N3CC[NH2+]CC3)c2)nc1 ZINC001205900056 1370903828 /nfs/dbraw/zinc/90/38/28/1370903828.db2.gz IZPDBHJOADHLEL-OAQYLSRUSA-N 2 1 336.483 3.315 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001116449763 1370915033 /nfs/dbraw/zinc/91/50/33/1370915033.db2.gz STGXWKVDMYBMEB-IRXDYDNUSA-N 2 1 348.560 3.358 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC001116449763 1370915036 /nfs/dbraw/zinc/91/50/36/1370915036.db2.gz STGXWKVDMYBMEB-IRXDYDNUSA-N 2 1 348.560 3.358 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC001116449763 1370915039 /nfs/dbraw/zinc/91/50/39/1370915039.db2.gz STGXWKVDMYBMEB-IRXDYDNUSA-N 2 1 348.560 3.358 20 0 EGADMP CC[N@H+]1CC[C@H](NCc2cc(Cl)c(OC)c(OC)c2)[C@H](C)C1 ZINC001116480734 1370921613 /nfs/dbraw/zinc/92/16/13/1370921613.db2.gz QHYKYVRCOOKPNG-DOMZBBRYSA-N 2 1 326.868 3.177 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)[C@H](C)C1 ZINC001116480734 1370921621 /nfs/dbraw/zinc/92/16/21/1370921621.db2.gz QHYKYVRCOOKPNG-DOMZBBRYSA-N 2 1 326.868 3.177 20 0 EGADMP COc1ccc(Br)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205981781 1370929294 /nfs/dbraw/zinc/92/92/94/1370929294.db2.gz HCHDSAQSYLQJKX-STQMWFEESA-N 2 1 341.293 3.265 20 0 EGADMP COc1cc(Br)ccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206013256 1370938124 /nfs/dbraw/zinc/93/81/24/1370938124.db2.gz QVLGNWCPZXWELP-STQMWFEESA-N 2 1 341.293 3.265 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccnc(Br)c2Cl)CCC[C@@H]1C[NH3+] ZINC001206036476 1370944538 /nfs/dbraw/zinc/94/45/38/1370944538.db2.gz JYXLMMIZFVRKPX-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(OC)c1Cl ZINC001206036613 1370945376 /nfs/dbraw/zinc/94/53/76/1370945376.db2.gz MFWNNVLMZTVRFV-STQMWFEESA-N 2 1 326.868 3.164 20 0 EGADMP Cc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)nn1 ZINC001326050502 1388105607 /nfs/dbraw/zinc/10/56/07/1388105607.db2.gz HYJIAVFWKOROAU-SEJPIABJSA-N 2 1 336.483 3.460 20 0 EGADMP Cc1nc(C)c(CN2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)s1 ZINC001206164974 1370977498 /nfs/dbraw/zinc/97/74/98/1370977498.db2.gz GVPMNDCEEHGEKH-ZWKOTPCHSA-N 2 1 349.544 3.083 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c2c(OC)cccc12 ZINC001206166639 1370977526 /nfs/dbraw/zinc/97/75/26/1370977526.db2.gz TWHRKWRHVCPJNQ-JKSUJKDBSA-N 2 1 332.419 3.118 20 0 EGADMP c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3OCC[NH+]2CCCC2)cc1 ZINC001206302213 1371015701 /nfs/dbraw/zinc/01/57/01/1371015701.db2.gz GFWKLNGAGLRYHP-WCRBZPEASA-N 2 1 328.500 3.400 20 0 EGADMP COc1c(Br)cccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206311585 1371017886 /nfs/dbraw/zinc/01/78/86/1371017886.db2.gz QYCNIWSYGJOFDA-INIZCTEOSA-N 2 1 341.293 3.409 20 0 EGADMP COc1cc(Cl)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(OC)c1 ZINC001206318618 1371019900 /nfs/dbraw/zinc/01/99/00/1371019900.db2.gz SAHDJOSJNCTBRI-KRWDZBQOSA-N 2 1 326.868 3.308 20 0 EGADMP Cc1c(Br)cncc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206318644 1371020540 /nfs/dbraw/zinc/02/05/40/1371020540.db2.gz SGLXHKPRLKHHFI-HNNXBMFYSA-N 2 1 326.282 3.103 20 0 EGADMP CCOC(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206327072 1371023048 /nfs/dbraw/zinc/02/30/48/1371023048.db2.gz RYTVJALMALPAKU-GOSISDBHSA-N 2 1 338.879 3.468 20 0 EGADMP COC(=O)CCCCCCCCC[N@H+]1CCCC[C@@](F)(CN)C1 ZINC001206336745 1371026356 /nfs/dbraw/zinc/02/63/56/1371026356.db2.gz OLQPIYKXSZTIPV-GOSISDBHSA-N 2 1 330.488 3.433 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc1-n1cnc(C)c1 ZINC001206563842 1371095566 /nfs/dbraw/zinc/09/55/66/1371095566.db2.gz IHBHJCFYXMRQBS-FQEVSTJZSA-N 2 1 342.487 3.140 20 0 EGADMP CC(C)[N@@H+](Cc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CCC[NH2+]CC1 ZINC001206581507 1371099473 /nfs/dbraw/zinc/09/94/73/1371099473.db2.gz JOIVTUHGFHIDTD-FQEVSTJZSA-N 3 1 347.547 3.370 20 0 EGADMP COc1cccnc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001206636686 1371115547 /nfs/dbraw/zinc/11/55/47/1371115547.db2.gz GDVTVHGUBVRXDC-UHFFFAOYSA-N 2 1 341.455 3.171 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(-c2ccccc2)cn1 ZINC001206649249 1371120019 /nfs/dbraw/zinc/12/00/19/1371120019.db2.gz RULAVGXMQRVDDZ-INIZCTEOSA-N 2 1 325.456 3.318 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206770426 1371159991 /nfs/dbraw/zinc/15/99/91/1371159991.db2.gz SARBSWQTPPRWHK-LSDHHAIUSA-N 2 1 343.471 3.212 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206770426 1371159995 /nfs/dbraw/zinc/15/99/95/1371159995.db2.gz SARBSWQTPPRWHK-LSDHHAIUSA-N 2 1 343.471 3.212 20 0 EGADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(-c2ccccc2)cn1 ZINC001206805188 1371175163 /nfs/dbraw/zinc/17/51/63/1371175163.db2.gz ASIHWZSPFZKZNC-HZPDHXFCSA-N 2 1 325.456 3.316 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001206889351 1371208789 /nfs/dbraw/zinc/20/87/89/1371208789.db2.gz NOUVCCKVJYFSPE-SFHVURJKSA-N 2 1 345.531 3.308 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001206954547 1371244704 /nfs/dbraw/zinc/24/47/04/1371244704.db2.gz MUDRONPZGVTUGM-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207008276 1371265588 /nfs/dbraw/zinc/26/55/88/1371265588.db2.gz VQYCWNBEMGSYCG-BRWVUGGUSA-N 2 1 334.508 3.023 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207008276 1371265589 /nfs/dbraw/zinc/26/55/89/1371265589.db2.gz VQYCWNBEMGSYCG-BRWVUGGUSA-N 2 1 334.508 3.023 20 0 EGADMP c1[nH+]c(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)n2ccccc12 ZINC001207052838 1371278559 /nfs/dbraw/zinc/27/85/59/1371278559.db2.gz FRNPSMDEAYEVDL-AZUAARDMSA-N 2 1 332.451 3.041 20 0 EGADMP c1[nH+]c(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)n2ccccc12 ZINC001207052838 1371278564 /nfs/dbraw/zinc/27/85/64/1371278564.db2.gz FRNPSMDEAYEVDL-AZUAARDMSA-N 2 1 332.451 3.041 20 0 EGADMP CN(Cc1[nH+]cc2ccccn21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001207056401 1371280192 /nfs/dbraw/zinc/28/01/92/1371280192.db2.gz QDHHYGBHWISPDG-HXUWFJFHSA-N 2 1 334.467 3.431 20 0 EGADMP CN(Cc1[nH+]cc2ccccn21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001207056401 1371280194 /nfs/dbraw/zinc/28/01/94/1371280194.db2.gz QDHHYGBHWISPDG-HXUWFJFHSA-N 2 1 334.467 3.431 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC001207133358 1371305398 /nfs/dbraw/zinc/30/53/98/1371305398.db2.gz QFVXXQCGLLHIGK-UHFFFAOYSA-N 2 1 339.474 3.474 20 0 EGADMP CCn1ccnc1C[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001207141699 1371308135 /nfs/dbraw/zinc/30/81/35/1371308135.db2.gz OWSFCBGOHQCYMI-GOSISDBHSA-N 2 1 342.487 3.373 20 0 EGADMP CCn1ccnc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001207147373 1371310398 /nfs/dbraw/zinc/31/03/98/1371310398.db2.gz GCMHZBMZHKGCKR-UXHICEINSA-N 2 1 338.499 3.247 20 0 EGADMP CCn1ccnc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001207147373 1371310402 /nfs/dbraw/zinc/31/04/02/1371310402.db2.gz GCMHZBMZHKGCKR-UXHICEINSA-N 2 1 338.499 3.247 20 0 EGADMP CCn1ccnc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001207147373 1371310404 /nfs/dbraw/zinc/31/04/04/1371310404.db2.gz GCMHZBMZHKGCKR-UXHICEINSA-N 2 1 338.499 3.247 20 0 EGADMP CCn1ccnc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001207147373 1371310410 /nfs/dbraw/zinc/31/04/10/1371310410.db2.gz GCMHZBMZHKGCKR-UXHICEINSA-N 2 1 338.499 3.247 20 0 EGADMP C[NH+](C)CC(C)(C)CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207288202 1371351130 /nfs/dbraw/zinc/35/11/30/1371351130.db2.gz JIXFKIXRCRBXNO-UXHICEINSA-N 3 1 329.532 3.028 20 0 EGADMP C[C@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC[C@@]1(C)O ZINC001207288046 1371351631 /nfs/dbraw/zinc/35/16/31/1371351631.db2.gz ZLLHNCYFYYKALW-GHTZIAJQSA-N 2 1 330.516 3.382 20 0 EGADMP FC1CC[NH+](C2CN(CC3CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC001207292513 1371352420 /nfs/dbraw/zinc/35/24/20/1371352420.db2.gz RVHWDDWESZPADP-UHFFFAOYSA-N 2 1 345.506 3.017 20 0 EGADMP C[N@@H+](C1CC1)C1CC[NH+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207294960 1371353670 /nfs/dbraw/zinc/35/36/70/1371353670.db2.gz XIKFVMDKRLWWRO-UHFFFAOYSA-N 3 1 341.543 3.457 20 0 EGADMP C[N@H+](C1CC1)C1CCN(CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207294960 1371353674 /nfs/dbraw/zinc/35/36/74/1371353674.db2.gz XIKFVMDKRLWWRO-UHFFFAOYSA-N 2 1 341.543 3.457 20 0 EGADMP C[N@@H+](C1CC1)C1CCN(CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207294960 1371353678 /nfs/dbraw/zinc/35/36/78/1371353678.db2.gz XIKFVMDKRLWWRO-UHFFFAOYSA-N 2 1 341.543 3.457 20 0 EGADMP Cc1nc2c(o1)CC[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207295357 1371354582 /nfs/dbraw/zinc/35/45/82/1371354582.db2.gz NWYAQWHRFVNOOU-UHFFFAOYSA-N 2 1 325.456 3.253 20 0 EGADMP Cc1nc2c(o1)CC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207295357 1371354587 /nfs/dbraw/zinc/35/45/87/1371354587.db2.gz NWYAQWHRFVNOOU-UHFFFAOYSA-N 2 1 325.456 3.253 20 0 EGADMP CN1CCC([N@H+](Cc2ccc(F)cc2)CC2CC[NH+](C)CC2)CC1 ZINC001207401040 1371384749 /nfs/dbraw/zinc/38/47/49/1371384749.db2.gz KPCNCRJENHMRIJ-UHFFFAOYSA-N 2 1 333.495 3.064 20 0 EGADMP C[NH+]1CCC(C[N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001207401040 1371384756 /nfs/dbraw/zinc/38/47/56/1371384756.db2.gz KPCNCRJENHMRIJ-UHFFFAOYSA-N 3 1 333.495 3.064 20 0 EGADMP C[NH+]1CCC(C[N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001207401040 1371384757 /nfs/dbraw/zinc/38/47/57/1371384757.db2.gz KPCNCRJENHMRIJ-UHFFFAOYSA-N 3 1 333.495 3.064 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207435228 1371396009 /nfs/dbraw/zinc/39/60/09/1371396009.db2.gz KNTMNISGOGWXOQ-YZGWKJHDSA-N 2 1 347.572 3.280 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207435228 1371396021 /nfs/dbraw/zinc/39/60/21/1371396021.db2.gz KNTMNISGOGWXOQ-YZGWKJHDSA-N 3 1 347.572 3.280 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207435228 1371396025 /nfs/dbraw/zinc/39/60/25/1371396025.db2.gz KNTMNISGOGWXOQ-YZGWKJHDSA-N 3 1 347.572 3.280 20 0 EGADMP CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207435228 1371396029 /nfs/dbraw/zinc/39/60/29/1371396029.db2.gz KNTMNISGOGWXOQ-YZGWKJHDSA-N 2 1 347.572 3.280 20 0 EGADMP CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207435228 1371396032 /nfs/dbraw/zinc/39/60/32/1371396032.db2.gz KNTMNISGOGWXOQ-YZGWKJHDSA-N 2 1 347.572 3.280 20 0 EGADMP CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)[N@H+]1CC1CC[NH2+]CC1 ZINC001207441710 1371396576 /nfs/dbraw/zinc/39/65/76/1371396576.db2.gz LGNSQVNVPPFDQI-MOPGFXCFSA-N 2 1 330.472 3.145 20 0 EGADMP c1ccc(C[NH+]2CCC3(CCC[N@H+](CC4CC[NH2+]CC4)C3)CC2)cc1 ZINC001207442320 1371396746 /nfs/dbraw/zinc/39/67/46/1371396746.db2.gz YDXSSNXMHHUYBE-UHFFFAOYSA-N 3 1 341.543 3.364 20 0 EGADMP COc1ccccc1CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207456948 1371400493 /nfs/dbraw/zinc/40/04/93/1371400493.db2.gz ZEGBYZBEEKPCTR-OYRHEFFESA-N 2 1 336.479 3.302 20 0 EGADMP COc1ccccc1CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207456948 1371400500 /nfs/dbraw/zinc/40/05/00/1371400500.db2.gz ZEGBYZBEEKPCTR-OYRHEFFESA-N 2 1 336.479 3.302 20 0 EGADMP COc1ccccc1CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207456948 1371400506 /nfs/dbraw/zinc/40/05/06/1371400506.db2.gz ZEGBYZBEEKPCTR-OYRHEFFESA-N 2 1 336.479 3.302 20 0 EGADMP C[NH+]1CCC(CCN2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001207482042 1371409440 /nfs/dbraw/zinc/40/94/40/1371409440.db2.gz RJXMMXYJXKKIBU-YADHBBJMSA-N 2 1 341.543 3.315 20 0 EGADMP C[NH+]1CCC(CC[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CC1 ZINC001207484090 1371409556 /nfs/dbraw/zinc/40/95/56/1371409556.db2.gz NSHSSZRWOFLDNK-UHFFFAOYSA-N 3 1 345.531 3.299 20 0 EGADMP COc1cccc(O[C@H]2CCC[N@@H+](CCC3CC[NH+](C)CC3)C2)c1 ZINC001207483038 1371410254 /nfs/dbraw/zinc/41/02/54/1371410254.db2.gz CETNRYJGHOVORG-FQEVSTJZSA-N 2 1 332.488 3.270 20 0 EGADMP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207485663 1371410501 /nfs/dbraw/zinc/41/05/01/1371410501.db2.gz ZVYBTFSDGAUJSE-QGZVFWFLSA-N 2 1 339.524 3.050 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001207541069 1371430429 /nfs/dbraw/zinc/43/04/29/1371430429.db2.gz RSXJWUXTFDSMFD-QRTFGMIHSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001207541069 1371430433 /nfs/dbraw/zinc/43/04/33/1371430433.db2.gz RSXJWUXTFDSMFD-QRTFGMIHSA-N 2 1 335.536 3.042 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001207541069 1371430438 /nfs/dbraw/zinc/43/04/38/1371430438.db2.gz RSXJWUXTFDSMFD-QRTFGMIHSA-N 2 1 335.536 3.042 20 0 EGADMP CCCCCC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCCC1 ZINC001120207984 1371504934 /nfs/dbraw/zinc/50/49/34/1371504934.db2.gz PEOXNXVBBMWPLR-UHFFFAOYSA-N 2 1 325.541 3.316 20 0 EGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](CC2(c3ccccc3)CC2)CC1 ZINC001207838666 1371516040 /nfs/dbraw/zinc/51/60/40/1371516040.db2.gz NUAJZFKBPOFBFS-HXUWFJFHSA-N 2 1 328.500 3.293 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](CC2(c3ccccc3)CC2)CC1 ZINC001207838666 1371516047 /nfs/dbraw/zinc/51/60/47/1371516047.db2.gz NUAJZFKBPOFBFS-HXUWFJFHSA-N 2 1 328.500 3.293 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001207987969 1371560606 /nfs/dbraw/zinc/56/06/06/1371560606.db2.gz CJNGARULKJXYPP-FOVLHFFESA-N 2 1 340.471 3.131 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208048163 1371579908 /nfs/dbraw/zinc/57/99/08/1371579908.db2.gz BYBVMQFTMMQLTN-RBUKOAKNSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001208073204 1371588161 /nfs/dbraw/zinc/58/81/61/1371588161.db2.gz FEOWXRTWPWVGSE-OZHPBFKBSA-N 2 1 335.536 3.044 20 0 EGADMP C[NH+]1CCC(C)(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CC1 ZINC001208107618 1371596892 /nfs/dbraw/zinc/59/68/92/1371596892.db2.gz QPPKRXKYAZZWNN-UHFFFAOYSA-N 2 1 345.531 3.299 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001208111079 1371597461 /nfs/dbraw/zinc/59/74/61/1371597461.db2.gz BBGVZLLPYKFYDV-QFIPXVFZSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C)(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208111079 1371597466 /nfs/dbraw/zinc/59/74/66/1371597466.db2.gz BBGVZLLPYKFYDV-QFIPXVFZSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C)(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208111079 1371597469 /nfs/dbraw/zinc/59/74/69/1371597469.db2.gz BBGVZLLPYKFYDV-QFIPXVFZSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C)(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001208111079 1371597474 /nfs/dbraw/zinc/59/74/74/1371597474.db2.gz BBGVZLLPYKFYDV-QFIPXVFZSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001208111079 1371597481 /nfs/dbraw/zinc/59/74/81/1371597481.db2.gz BBGVZLLPYKFYDV-QFIPXVFZSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001208116245 1371600337 /nfs/dbraw/zinc/60/03/37/1371600337.db2.gz SIBDRBWQSRZWOK-HOTGVXAUSA-N 2 1 333.907 3.335 20 0 EGADMP C[C@@H]1C[N@@H+](CC2(C[NH+](C)C)CCCC2)CCC[C@]1(O)C(F)(F)F ZINC001208185223 1371625349 /nfs/dbraw/zinc/62/53/49/1371625349.db2.gz XQABHMMBPPLNRJ-GDBMZVCRSA-N 2 1 336.442 3.134 20 0 EGADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](CCc1cccc(F)c1)C2 ZINC001208197617 1371638382 /nfs/dbraw/zinc/63/83/82/1371638382.db2.gz SNUBAXFBOCMQIV-CTNGQTDRSA-N 2 1 346.490 3.049 20 0 EGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCc1cccc(F)c1)C2 ZINC001208197617 1371638385 /nfs/dbraw/zinc/63/83/85/1371638385.db2.gz SNUBAXFBOCMQIV-CTNGQTDRSA-N 2 1 346.490 3.049 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCc1cccc(F)c1)C2 ZINC001208197617 1371638388 /nfs/dbraw/zinc/63/83/88/1371638388.db2.gz SNUBAXFBOCMQIV-CTNGQTDRSA-N 2 1 346.490 3.049 20 0 EGADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCc1cccc(F)c1)C2 ZINC001208197617 1371638391 /nfs/dbraw/zinc/63/83/91/1371638391.db2.gz SNUBAXFBOCMQIV-CTNGQTDRSA-N 2 1 346.490 3.049 20 0 EGADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](CCc1cccc(F)c1)C2 ZINC001208197618 1371640100 /nfs/dbraw/zinc/64/01/00/1371640100.db2.gz SNUBAXFBOCMQIV-FPOVZHCZSA-N 2 1 346.490 3.049 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCc1cccc(F)c1)C2 ZINC001208197618 1371640108 /nfs/dbraw/zinc/64/01/08/1371640108.db2.gz SNUBAXFBOCMQIV-FPOVZHCZSA-N 2 1 346.490 3.049 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCc1cccc(F)c1)C2 ZINC001208197618 1371640111 /nfs/dbraw/zinc/64/01/11/1371640111.db2.gz SNUBAXFBOCMQIV-FPOVZHCZSA-N 2 1 346.490 3.049 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCc1cccc(F)c1)C2 ZINC001208197618 1371640115 /nfs/dbraw/zinc/64/01/15/1371640115.db2.gz SNUBAXFBOCMQIV-FPOVZHCZSA-N 2 1 346.490 3.049 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001208280007 1371696539 /nfs/dbraw/zinc/69/65/39/1371696539.db2.gz XHODLDFIXRHPEF-LXORQPIJSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001208330646 1371719339 /nfs/dbraw/zinc/71/93/39/1371719339.db2.gz BNSVPZPKMUFSKQ-PMACEKPBSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001208334352 1371722056 /nfs/dbraw/zinc/72/20/56/1371722056.db2.gz IOOSOMUBIKQDMM-ZLKFPQNLSA-N 2 1 344.503 3.088 20 0 EGADMP CC(C)=CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001208460135 1371775394 /nfs/dbraw/zinc/77/53/94/1371775394.db2.gz OWJLIVUYFSIDCP-KRWDZBQOSA-N 2 1 335.536 3.186 20 0 EGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208475180 1371782079 /nfs/dbraw/zinc/78/20/79/1371782079.db2.gz SFDNCVBFKXLSQY-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC)[C@H]1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208592362 1371831692 /nfs/dbraw/zinc/83/16/92/1371831692.db2.gz TWWBQQZBXRYNIN-SFTDATJTSA-N 2 1 329.532 3.457 20 0 EGADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCC[NH+](C)C1 ZINC001208612804 1371839832 /nfs/dbraw/zinc/83/98/32/1371839832.db2.gz OEFAZMIGCNOQCG-OAQYLSRUSA-N 3 1 329.532 3.172 20 0 EGADMP C[NH+](CC1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208612804 1371839837 /nfs/dbraw/zinc/83/98/37/1371839837.db2.gz OEFAZMIGCNOQCG-OAQYLSRUSA-N 3 1 329.532 3.172 20 0 EGADMP C[NH+](CC1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208612804 1371839843 /nfs/dbraw/zinc/83/98/43/1371839843.db2.gz OEFAZMIGCNOQCG-OAQYLSRUSA-N 3 1 329.532 3.172 20 0 EGADMP CN1CCC[C@@H](C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001208612804 1371839847 /nfs/dbraw/zinc/83/98/47/1371839847.db2.gz OEFAZMIGCNOQCG-OAQYLSRUSA-N 2 1 329.532 3.172 20 0 EGADMP CN1CCC[C@@H](C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001208612804 1371839851 /nfs/dbraw/zinc/83/98/51/1371839851.db2.gz OEFAZMIGCNOQCG-OAQYLSRUSA-N 2 1 329.532 3.172 20 0 EGADMP C[N@H+]1CCC[C@@H](CN2CCC[C@H]([NH+](Cc3ccccc3)C3CC3)C2)C1 ZINC001208615208 1371841254 /nfs/dbraw/zinc/84/12/54/1371841254.db2.gz HELNKZCVTBKODZ-IRLDBZIGSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+]1CCC[C@@H](CN2CCC[C@H]([N@H+](Cc3ccccc3)C3CC3)C2)C1 ZINC001208615208 1371841259 /nfs/dbraw/zinc/84/12/59/1371841259.db2.gz HELNKZCVTBKODZ-IRLDBZIGSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+]1CCC[C@@H](CN2CCC[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2)C1 ZINC001208615208 1371841264 /nfs/dbraw/zinc/84/12/64/1371841264.db2.gz HELNKZCVTBKODZ-IRLDBZIGSA-N 2 1 341.543 3.457 20 0 EGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1ccc(Cl)cc1)C2 ZINC001208743390 1371882177 /nfs/dbraw/zinc/88/21/77/1371882177.db2.gz HGHBPUWFTIDRKK-UHFFFAOYSA-N 2 1 346.906 3.435 20 0 EGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1ccc(Cl)cc1)C2 ZINC001208743390 1371882181 /nfs/dbraw/zinc/88/21/81/1371882181.db2.gz HGHBPUWFTIDRKK-UHFFFAOYSA-N 2 1 346.906 3.435 20 0 EGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1ccc(Cl)cc1)C2 ZINC001208743390 1371882186 /nfs/dbraw/zinc/88/21/86/1371882186.db2.gz HGHBPUWFTIDRKK-UHFFFAOYSA-N 2 1 346.906 3.435 20 0 EGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1ccc(Cl)cc1)C2 ZINC001208743390 1371882189 /nfs/dbraw/zinc/88/21/89/1371882189.db2.gz HGHBPUWFTIDRKK-UHFFFAOYSA-N 2 1 346.906 3.435 20 0 EGADMP Fc1ccc(CCC[N@H+]2CCc3onc(Cn4ccnc4)c3C2)cc1 ZINC001208765386 1371889539 /nfs/dbraw/zinc/88/95/39/1371889539.db2.gz OBOORCCIAAUFJF-UHFFFAOYSA-N 2 1 340.402 3.049 20 0 EGADMP Fc1ccc(CCCN2CCc3onc(Cn4ccnc4)c3C2)cc1 ZINC001208765386 1371889543 /nfs/dbraw/zinc/88/95/43/1371889543.db2.gz OBOORCCIAAUFJF-UHFFFAOYSA-N 2 1 340.402 3.049 20 0 EGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)CC1(c2ccccc2)CCCC1 ZINC001208776923 1371894064 /nfs/dbraw/zinc/89/40/64/1371894064.db2.gz ZPINYJGZZBNOLZ-UHFFFAOYSA-N 2 1 346.515 3.315 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+]CC1CC(C)(C)C1)C2 ZINC001121325852 1371937833 /nfs/dbraw/zinc/93/78/33/1371937833.db2.gz PAEXZYARUPFFNS-UHFFFAOYSA-N 2 1 349.563 3.170 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CCC[C@@H]3C[NH+]3CCCC3)C2)cc1 ZINC001208936621 1371954264 /nfs/dbraw/zinc/95/42/64/1371954264.db2.gz ONMFALZQWKOTIY-FCHUYYIVSA-N 2 1 341.543 3.459 20 0 EGADMP CC(C)(C)OC(=O)[C@H]1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208947386 1371959147 /nfs/dbraw/zinc/95/91/47/1371959147.db2.gz BHSDDEZUVXHMTM-MOPGFXCFSA-N 2 1 344.499 3.172 20 0 EGADMP CC(C)(C)OC(=O)[C@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947386 1371959154 /nfs/dbraw/zinc/95/91/54/1371959154.db2.gz BHSDDEZUVXHMTM-MOPGFXCFSA-N 2 1 344.499 3.172 20 0 EGADMP CC(C)(C)OC(=O)[C@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947386 1371959162 /nfs/dbraw/zinc/95/91/62/1371959162.db2.gz BHSDDEZUVXHMTM-MOPGFXCFSA-N 2 1 344.499 3.172 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209007605 1371973014 /nfs/dbraw/zinc/97/30/14/1371973014.db2.gz XDWZHSWUIJUTGK-IAGOWNOFSA-N 2 1 334.508 3.023 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209007605 1371973018 /nfs/dbraw/zinc/97/30/18/1371973018.db2.gz XDWZHSWUIJUTGK-IAGOWNOFSA-N 2 1 334.508 3.023 20 0 EGADMP C[NH+]1CCC2(CC[N@@H+](CCCCCNC(=O)OC(C)(C)C)C2)CC1 ZINC001209376163 1372082757 /nfs/dbraw/zinc/08/27/57/1372082757.db2.gz QKCZRPONVSAFHS-UHFFFAOYSA-N 2 1 339.524 3.099 20 0 EGADMP CCN(CCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001209450768 1372109014 /nfs/dbraw/zinc/10/90/14/1372109014.db2.gz LJCVJQRMICJTEB-NRFANRHFSA-N 2 1 329.532 3.459 20 0 EGADMP CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC001209450386 1372109776 /nfs/dbraw/zinc/10/97/76/1372109776.db2.gz IFJLPCURGGYQQO-KRWDZBQOSA-N 2 1 339.524 3.242 20 0 EGADMP COC(=O)c1ccc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001209453722 1372110560 /nfs/dbraw/zinc/11/05/60/1372110560.db2.gz KWIOXKRXWDNVPS-LJQANCHMSA-N 2 1 330.472 3.486 20 0 EGADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001209453722 1372110566 /nfs/dbraw/zinc/11/05/66/1372110566.db2.gz KWIOXKRXWDNVPS-LJQANCHMSA-N 2 1 330.472 3.486 20 0 EGADMP CC(C)C[C@H](C)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001209688255 1372170759 /nfs/dbraw/zinc/17/07/59/1372170759.db2.gz CKQYFWQCQHGQCX-ROUUACIJSA-N 2 1 339.568 3.227 20 0 EGADMP COCC[N@H+](Cc1cc2cc(Cl)ccc2[nH]1)C1CCN(C)CC1 ZINC001209721646 1372177399 /nfs/dbraw/zinc/17/73/99/1372177399.db2.gz AWFRHIZWYHUHMO-UHFFFAOYSA-N 2 1 335.879 3.364 20 0 EGADMP COCC[N@@H+](Cc1cc2cc(Cl)ccc2[nH]1)C1CCN(C)CC1 ZINC001209721646 1372177403 /nfs/dbraw/zinc/17/74/03/1372177403.db2.gz AWFRHIZWYHUHMO-UHFFFAOYSA-N 2 1 335.879 3.364 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001122248084 1372211618 /nfs/dbraw/zinc/21/16/18/1372211618.db2.gz FCTQVPZNWNYAQI-FPLPWBNLSA-N 2 1 335.536 3.090 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001209892397 1372225428 /nfs/dbraw/zinc/22/54/28/1372225428.db2.gz RRWNBCWOYLQAPG-INIZCTEOSA-N 2 1 334.508 3.023 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001210183751 1372290894 /nfs/dbraw/zinc/29/08/94/1372290894.db2.gz ROUDMNYDWIMEPN-ZLQZBKBYSA-N 2 1 337.552 3.435 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1)c1ccccc1 ZINC001210492900 1372366027 /nfs/dbraw/zinc/36/60/27/1372366027.db2.gz FPUNUAXHTBUIQH-RBUKOAKNSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccccc2C(C)C)C[C@H]1C ZINC001210529417 1372372477 /nfs/dbraw/zinc/37/24/77/1372372477.db2.gz VOPXOSFPNPRYDU-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(C)C)C[C@H]1C ZINC001210529417 1372372484 /nfs/dbraw/zinc/37/24/84/1372372484.db2.gz VOPXOSFPNPRYDU-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(C)C)C[C@H]1C ZINC001210529417 1372372490 /nfs/dbraw/zinc/37/24/90/1372372490.db2.gz VOPXOSFPNPRYDU-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC(C)C)C1 ZINC001210586673 1372385058 /nfs/dbraw/zinc/38/50/58/1372385058.db2.gz ZVXBNRNLVISGIJ-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001210796398 1372428317 /nfs/dbraw/zinc/42/83/17/1372428317.db2.gz FTQJYZXRRLFUSV-SJORKVTESA-N 2 1 349.494 3.199 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1)c1ccccc1 ZINC001211269978 1372517521 /nfs/dbraw/zinc/51/75/21/1372517521.db2.gz WPLWERFEHCAXQC-RBUKOAKNSA-N 2 1 345.531 3.306 20 0 EGADMP CCCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001211276058 1372518809 /nfs/dbraw/zinc/51/88/09/1372518809.db2.gz DHEVHHDHFZYBGU-HXUWFJFHSA-N 2 1 345.531 3.060 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001211278684 1372519435 /nfs/dbraw/zinc/51/94/35/1372519435.db2.gz UCDDVWOAOXNWIS-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001211284103 1372520784 /nfs/dbraw/zinc/52/07/84/1372520784.db2.gz IYKLVKNHJVFDMG-RBUKOAKNSA-N 2 1 345.531 3.285 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211343749 1372536684 /nfs/dbraw/zinc/53/66/84/1372536684.db2.gz KDAUXRHCLSXINB-CQQBRXBZSA-N 2 1 335.536 3.045 20 0 EGADMP Cc1cc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)ccc1C[NH+](C)C ZINC001123807344 1372595019 /nfs/dbraw/zinc/59/50/19/1372595019.db2.gz WXJTUFNYIUCGGD-LSBZLQRGSA-N 2 1 329.488 3.116 20 0 EGADMP O=C(Nc1ccc(-n2ccnc2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001124773514 1372729572 /nfs/dbraw/zinc/72/95/72/1372729572.db2.gz ZMUWQITXBYCQIV-SFHVURJKSA-N 2 1 346.434 3.333 20 0 EGADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214856050 1373131063 /nfs/dbraw/zinc/13/10/63/1373131063.db2.gz WFTQBFZNESDXBA-BHIYHBOVSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001214997569 1373153115 /nfs/dbraw/zinc/15/31/15/1373153115.db2.gz JSJRMTOKOGRSCK-SJLPKXTDSA-N 2 1 335.536 3.044 20 0 EGADMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CCCC(C)(C)C ZINC001215568321 1373213629 /nfs/dbraw/zinc/21/36/29/1373213629.db2.gz LQZKEBZRDASSPM-IAGOWNOFSA-N 2 1 339.568 3.227 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1)c1ccccc1 ZINC001188145886 1388249434 /nfs/dbraw/zinc/24/94/34/1388249434.db2.gz PLYLTXAUSJGRHS-RTBURBONSA-N 2 1 345.531 3.306 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCC)C1 ZINC001215972979 1373252949 /nfs/dbraw/zinc/25/29/49/1373252949.db2.gz JGWDQSFFTFITHR-QZTJIDSGSA-N 2 1 325.541 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC=C(C)C)C1 ZINC001216323839 1373300363 /nfs/dbraw/zinc/30/03/63/1373300363.db2.gz LQJDRVCXLBVVGA-GUDVDZBRSA-N 2 1 335.536 3.044 20 0 EGADMP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001216323357 1373300428 /nfs/dbraw/zinc/30/04/28/1373300428.db2.gz CTLDVRZSXAOGFS-QRVBRYPASA-N 2 1 337.552 3.268 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001129422109 1373382284 /nfs/dbraw/zinc/38/22/84/1373382284.db2.gz FROBOQWPYHUXCX-PKOBYXMFSA-N 2 1 331.504 3.025 20 0 EGADMP Cc1ccc([C@H]2C[C@H]2c2nnc([C@@H]([NH3+])CCCC[NH+](C)C)o2)cc1 ZINC001217715605 1373493769 /nfs/dbraw/zinc/49/37/69/1373493769.db2.gz YQGZXMHBCDECIP-ZACQAIPSSA-N 2 1 328.460 3.381 20 0 EGADMP c1ccc(C(c2ccccc2)[NH+]2CC(OC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001217828853 1373505295 /nfs/dbraw/zinc/50/52/95/1373505295.db2.gz YYYBULICUTUGQO-SFHVURJKSA-N 2 1 336.479 3.476 20 0 EGADMP C[C@H](OCCC[C@H]1CCC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001217868685 1373508510 /nfs/dbraw/zinc/50/85/10/1373508510.db2.gz KUZQZEPNLURADQ-QKNQBKEWSA-N 2 1 346.515 3.072 20 0 EGADMP C[C@H](OCCC[C@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001217868685 1373508516 /nfs/dbraw/zinc/50/85/16/1373508516.db2.gz KUZQZEPNLURADQ-QKNQBKEWSA-N 2 1 346.515 3.072 20 0 EGADMP c1ccc(C[N@H+]2CCCO[C@H](COCCC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001217888197 1373509670 /nfs/dbraw/zinc/50/96/70/1373509670.db2.gz OLAJRMHXYNJLHG-FPOVZHCZSA-N 2 1 346.515 3.074 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)c1ccccc1 ZINC001130622434 1373571650 /nfs/dbraw/zinc/57/16/50/1373571650.db2.gz IPAOGKOGQIGUHT-INIZCTEOSA-N 2 1 331.504 3.106 20 0 EGADMP C[NH2+][C@H]1CC[C@H](Oc2ccc(Br)c(C[NH+](C)C)c2)CC1 ZINC001218187879 1373574830 /nfs/dbraw/zinc/57/48/30/1373574830.db2.gz OTJLSNZXLNRNDE-HDJSIYSDSA-N 2 1 341.293 3.420 20 0 EGADMP C[NH+](C)Cc1cc(O[C@@H]2CC[NH2+]CC2(C)C)ccc1Br ZINC001218311431 1373592928 /nfs/dbraw/zinc/59/29/28/1373592928.db2.gz KSIBQBCRDVULPW-OAHLLOKOSA-N 2 1 341.293 3.278 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1OC(F)(F)F ZINC001222153907 1373817749 /nfs/dbraw/zinc/81/77/49/1373817749.db2.gz CLRGSQMSZBAJGT-INIZCTEOSA-N 2 1 344.377 3.169 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1OC(F)(F)F ZINC001222153907 1373817751 /nfs/dbraw/zinc/81/77/51/1373817751.db2.gz CLRGSQMSZBAJGT-INIZCTEOSA-N 2 1 344.377 3.169 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1)c1cccc(F)c1 ZINC001131821474 1373822418 /nfs/dbraw/zinc/82/24/18/1373822418.db2.gz AFPFOMPIQAKFBP-MRXNPFEDSA-N 2 1 349.494 3.247 20 0 EGADMP COCC[NH+]1CCC(OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001224825507 1375078730 /nfs/dbraw/zinc/07/87/30/1375078730.db2.gz KRVGUAKDXKWLKB-HXUWFJFHSA-N 2 1 346.515 3.026 20 0 EGADMP FCC[NH+]1CCC(OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001224830503 1375079688 /nfs/dbraw/zinc/07/96/88/1375079688.db2.gz OMEKGLGWHAHDOU-LJQANCHMSA-N 2 1 334.479 3.349 20 0 EGADMP CCC/C=C/CC[NH+]1CCC(CNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001225244078 1375099171 /nfs/dbraw/zinc/09/91/71/1375099171.db2.gz GCTIUCWSYVANEX-BQYQJAHWSA-N 2 1 337.552 3.293 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCCC1CCCC1 ZINC001132105938 1375151141 /nfs/dbraw/zinc/15/11/41/1375151141.db2.gz OPVKGRFTCVHZCU-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCCC1CCCC1 ZINC001132105938 1375151142 /nfs/dbraw/zinc/15/11/42/1375151142.db2.gz OPVKGRFTCVHZCU-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCCC1CCCC1 ZINC001132105938 1375151144 /nfs/dbraw/zinc/15/11/44/1375151144.db2.gz OPVKGRFTCVHZCU-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCC1CCCCC1 ZINC001132106428 1375151620 /nfs/dbraw/zinc/15/16/20/1375151620.db2.gz UICKDXDBNRYLGX-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCC1CCCCC1 ZINC001132106428 1375151623 /nfs/dbraw/zinc/15/16/23/1375151623.db2.gz UICKDXDBNRYLGX-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCC1CCCCC1 ZINC001132106428 1375151627 /nfs/dbraw/zinc/15/16/27/1375151627.db2.gz UICKDXDBNRYLGX-IEBWSBKVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCC1CCCC1 ZINC001132111394 1375153344 /nfs/dbraw/zinc/15/33/44/1375153344.db2.gz QPBSGCSPENIDBR-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCC1CCCC1 ZINC001132111394 1375153346 /nfs/dbraw/zinc/15/33/46/1375153346.db2.gz QPBSGCSPENIDBR-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCC1CCCC1 ZINC001132111394 1375153351 /nfs/dbraw/zinc/15/33/51/1375153351.db2.gz QPBSGCSPENIDBR-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CCC1CCCC1 ZINC001132111393 1375153637 /nfs/dbraw/zinc/15/36/37/1375153637.db2.gz QPBSGCSPENIDBR-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CCC1CCCC1 ZINC001132111393 1375153639 /nfs/dbraw/zinc/15/36/39/1375153639.db2.gz QPBSGCSPENIDBR-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CCC1CCCC1 ZINC001132111393 1375153641 /nfs/dbraw/zinc/15/36/41/1375153641.db2.gz QPBSGCSPENIDBR-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132150394 1375171774 /nfs/dbraw/zinc/17/17/74/1375171774.db2.gz QMVBXEALOFDVMP-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cccc(F)c2)C1 ZINC001132152607 1375172559 /nfs/dbraw/zinc/17/25/59/1375172559.db2.gz FWZHONPGHZFYHV-YJBOKZPZSA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cccc(F)c2)C1 ZINC001132152607 1375172561 /nfs/dbraw/zinc/17/25/61/1375172561.db2.gz FWZHONPGHZFYHV-YJBOKZPZSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cccc(F)c2)C1 ZINC001132152607 1375172562 /nfs/dbraw/zinc/17/25/62/1375172562.db2.gz FWZHONPGHZFYHV-YJBOKZPZSA-N 2 1 349.494 3.025 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(F)c2)C1 ZINC001132152607 1375172564 /nfs/dbraw/zinc/17/25/64/1375172564.db2.gz FWZHONPGHZFYHV-YJBOKZPZSA-N 2 1 349.494 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](CCC(C)(C)C)C1 ZINC001132154165 1375173844 /nfs/dbraw/zinc/17/38/44/1375173844.db2.gz XMXXRXQKLNHESL-HOTGVXAUSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001132154165 1375173845 /nfs/dbraw/zinc/17/38/45/1375173845.db2.gz XMXXRXQKLNHESL-HOTGVXAUSA-N 2 1 325.541 3.122 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC(C)(C)C)C1 ZINC001132154165 1375173848 /nfs/dbraw/zinc/17/38/48/1375173848.db2.gz XMXXRXQKLNHESL-HOTGVXAUSA-N 2 1 325.541 3.122 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[N@H+]1CCCCCF ZINC001132153920 1375174126 /nfs/dbraw/zinc/17/41/26/1375174126.db2.gz VBBGHBVQMWLPLL-WBVHZDCISA-N 2 1 346.450 3.057 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@H+]1CC1CCC1 ZINC001132202045 1375206180 /nfs/dbraw/zinc/20/61/80/1375206180.db2.gz BJQFQXIRZBOYHY-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132204425 1375207963 /nfs/dbraw/zinc/20/79/63/1375207963.db2.gz WFOXPXOZWOJDGG-MOPGFXCFSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CCC1=CCCCC1 ZINC001132265587 1375254581 /nfs/dbraw/zinc/25/45/81/1375254581.db2.gz PEIAJTBYPFBJME-PKOBYXMFSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CCC1=CCCCC1 ZINC001132268713 1375256483 /nfs/dbraw/zinc/25/64/83/1375256483.db2.gz AWLIFOIUIZMTDN-MJGOQNOKSA-N 2 1 335.536 3.188 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CCCC1CCCC1 ZINC001132269064 1375256594 /nfs/dbraw/zinc/25/65/94/1375256594.db2.gz DVDJFPOPPAKRRK-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)c(C)c1 ZINC001132269520 1375257294 /nfs/dbraw/zinc/25/72/94/1375257294.db2.gz LGVNXBCCTCLWOG-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001226773572 1375330169 /nfs/dbraw/zinc/33/01/69/1375330169.db2.gz GGGXACOUCBHTLC-BRWVUGGUSA-N 2 1 346.519 3.214 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC(C)C)C1 ZINC001132366242 1375332503 /nfs/dbraw/zinc/33/25/03/1375332503.db2.gz YYMRJQRTEGHZGE-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(C)C)C1 ZINC001132366242 1375332512 /nfs/dbraw/zinc/33/25/12/1375332512.db2.gz YYMRJQRTEGHZGE-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(C)C)C1 ZINC001132366242 1375332514 /nfs/dbraw/zinc/33/25/14/1375332514.db2.gz YYMRJQRTEGHZGE-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001132377020 1375337864 /nfs/dbraw/zinc/33/78/64/1375337864.db2.gz SOLQWNIPJDOROA-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001132376699 1375338969 /nfs/dbraw/zinc/33/89/69/1375338969.db2.gz PKYXJVAJESFQIA-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1cccc(C[N@@H+]2C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]2C)c1 ZINC001132432267 1375377171 /nfs/dbraw/zinc/37/71/71/1375377171.db2.gz BMHZZWPAPBXUAV-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](C/C=C\c2ccccc2)C1 ZINC001132435378 1375380335 /nfs/dbraw/zinc/38/03/35/1375380335.db2.gz CICVJJUAPRDVJE-NCJCTJFTSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](C/C=C\c2ccccc2)C1 ZINC001132435378 1375380341 /nfs/dbraw/zinc/38/03/41/1375380341.db2.gz CICVJJUAPRDVJE-NCJCTJFTSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](C/C=C\c2ccccc2)C1 ZINC001132435378 1375380344 /nfs/dbraw/zinc/38/03/44/1375380344.db2.gz CICVJJUAPRDVJE-NCJCTJFTSA-N 2 1 343.515 3.011 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCCC2CCC2)C1 ZINC001132437045 1375381555 /nfs/dbraw/zinc/38/15/55/1375381555.db2.gz PMDSXTFEOQGZOK-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCC2CCC2)C1 ZINC001132437045 1375381557 /nfs/dbraw/zinc/38/15/57/1375381557.db2.gz PMDSXTFEOQGZOK-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC2CCC2)C1 ZINC001132437045 1375381563 /nfs/dbraw/zinc/38/15/63/1375381563.db2.gz PMDSXTFEOQGZOK-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132440736 1375385297 /nfs/dbraw/zinc/38/52/97/1375385297.db2.gz FHMNFTMRWQXGTF-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001132440736 1375385304 /nfs/dbraw/zinc/38/53/04/1375385304.db2.gz FHMNFTMRWQXGTF-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001132440736 1375385309 /nfs/dbraw/zinc/38/53/09/1375385309.db2.gz FHMNFTMRWQXGTF-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cccc(CC)c2)C1 ZINC001132441884 1375386350 /nfs/dbraw/zinc/38/63/50/1375386350.db2.gz UYUGCZLIZCBYGF-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cccc(CC)c2)C1 ZINC001132441884 1375386355 /nfs/dbraw/zinc/38/63/55/1375386355.db2.gz UYUGCZLIZCBYGF-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(CC)c2)C1 ZINC001132441884 1375386363 /nfs/dbraw/zinc/38/63/63/1375386363.db2.gz UYUGCZLIZCBYGF-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2cccc(CC)c2)C1 ZINC001132441883 1375387114 /nfs/dbraw/zinc/38/71/14/1375387114.db2.gz UYUGCZLIZCBYGF-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(CC)c2)C1 ZINC001132441883 1375387121 /nfs/dbraw/zinc/38/71/21/1375387121.db2.gz UYUGCZLIZCBYGF-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(CC)c2)C1 ZINC001132441883 1375387127 /nfs/dbraw/zinc/38/71/27/1375387127.db2.gz UYUGCZLIZCBYGF-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132492113 1375423572 /nfs/dbraw/zinc/42/35/72/1375423572.db2.gz CKVSQKYAMOPWPC-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[N@H+]1CC1CCCCC1 ZINC001132517311 1375436198 /nfs/dbraw/zinc/43/61/98/1375436198.db2.gz AUGFWGXEEZUZAW-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CCC[NH+]1CCC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001227791324 1375475100 /nfs/dbraw/zinc/47/51/00/1375475100.db2.gz BSYXGWJUMOVEPH-LJQANCHMSA-N 2 1 337.552 3.266 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132888279 1375626475 /nfs/dbraw/zinc/62/64/75/1375626475.db2.gz LTJUOQWEISFQQZ-HMTUNPETSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl ZINC001228932721 1375720062 /nfs/dbraw/zinc/72/00/62/1375720062.db2.gz SSLQGWOSZADHSM-RRTWXQSHSA-N 2 1 341.927 3.019 20 0 EGADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ccc3c(c2)CC[NH+](C)C3)C1 ZINC001228943686 1375723443 /nfs/dbraw/zinc/72/34/43/1375723443.db2.gz IGLIEQUXQRQEDN-OXQOHEQNSA-N 2 1 337.467 3.284 20 0 EGADMP C[C@H](c1ccccn1)[NH+]1CC[C@@H](Oc2ccc3c(c2)CC[N@@H+](C)C3)C1 ZINC001228943686 1375723445 /nfs/dbraw/zinc/72/34/45/1375723445.db2.gz IGLIEQUXQRQEDN-OXQOHEQNSA-N 2 1 337.467 3.284 20 0 EGADMP C[C@H](c1ccccn1)[NH+]1CC[C@@H](Oc2ccc3c(c2)CC[N@H+](C)C3)C1 ZINC001228943686 1375723454 /nfs/dbraw/zinc/72/34/54/1375723454.db2.gz IGLIEQUXQRQEDN-OXQOHEQNSA-N 2 1 337.467 3.284 20 0 EGADMP CCCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133146956 1375807283 /nfs/dbraw/zinc/80/72/83/1375807283.db2.gz NYEHXBKVPJSWOR-QZTJIDSGSA-N 2 1 348.535 3.271 20 0 EGADMP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001133166224 1375819781 /nfs/dbraw/zinc/81/97/81/1375819781.db2.gz RJAFECZMYQOPMC-IEBWSBKVSA-N 2 1 346.519 3.012 20 0 EGADMP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001229652973 1375872954 /nfs/dbraw/zinc/87/29/54/1375872954.db2.gz UUXBHLZFTSMNTM-GUDVDZBRSA-N 2 1 331.504 3.106 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001133261645 1375877312 /nfs/dbraw/zinc/87/73/12/1375877312.db2.gz BVOLERVPAVUFRZ-MSOLQXFVSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC001230105560 1375943396 /nfs/dbraw/zinc/94/33/96/1375943396.db2.gz UJYPVKOWQMZOQT-LJQANCHMSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC001230274788 1375980515 /nfs/dbraw/zinc/98/05/15/1375980515.db2.gz LJYQFJFJAIYSFA-KURKYZTESA-N 2 1 341.515 3.018 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001327196836 1388437713 /nfs/dbraw/zinc/43/77/13/1388437713.db2.gz XIUZMEUXIJKEEU-NSISKUIASA-N 2 1 343.515 3.195 20 0 EGADMP c1csc(CN2C[C@@H]3C[N@H+](Cc4cccc5c[nH]nc54)C[C@@H]3C2)c1 ZINC001231973555 1376365044 /nfs/dbraw/zinc/36/50/44/1376365044.db2.gz XRZRIFFDACJEBD-CALCHBBNSA-N 2 1 338.480 3.188 20 0 EGADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccc5c[nH]nc54)C[C@H]3C2)c1 ZINC001231973555 1376365052 /nfs/dbraw/zinc/36/50/52/1376365052.db2.gz XRZRIFFDACJEBD-CALCHBBNSA-N 2 1 338.480 3.188 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccc5c[nH]nc54)C[C@H]3C2)c1 ZINC001231973555 1376365081 /nfs/dbraw/zinc/36/50/81/1376365081.db2.gz XRZRIFFDACJEBD-CALCHBBNSA-N 2 1 338.480 3.188 20 0 EGADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001232013100 1376382939 /nfs/dbraw/zinc/38/29/39/1376382939.db2.gz XXHIRBJMHZVOBN-MRXNPFEDSA-N 2 1 344.459 3.394 20 0 EGADMP CCOC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232144308 1376409027 /nfs/dbraw/zinc/40/90/27/1376409027.db2.gz HPYDFUQTWXPTNO-HNNXBMFYSA-N 2 1 336.451 3.053 20 0 EGADMP Cc1cc(N2CC[NH+](Cc3ccnc4c(F)cccc34)CC2)cc[nH+]1 ZINC001232211952 1376417959 /nfs/dbraw/zinc/41/79/59/1376417959.db2.gz DUYRMHKTZUOOIE-UHFFFAOYSA-N 2 1 336.414 3.400 20 0 EGADMP Cc1nnc(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)s1 ZINC001232241795 1376423321 /nfs/dbraw/zinc/42/33/21/1376423321.db2.gz GHEYHEPNHGGANF-MRXNPFEDSA-N 2 1 346.500 3.316 20 0 EGADMP Cc1nnc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)s1 ZINC001232241795 1376423323 /nfs/dbraw/zinc/42/33/23/1376423323.db2.gz GHEYHEPNHGGANF-MRXNPFEDSA-N 2 1 346.500 3.316 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232364495 1376449539 /nfs/dbraw/zinc/44/95/39/1376449539.db2.gz VUMKBCMLRBYUAB-UHFFFAOYSA-N 2 1 338.499 3.164 20 0 EGADMP Nc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001232369920 1376451315 /nfs/dbraw/zinc/45/13/15/1376451315.db2.gz GDHCQIAMDMTASF-VQTJNVASSA-N 2 1 336.483 3.008 20 0 EGADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc2ccsc2c1 ZINC001232612790 1376488914 /nfs/dbraw/zinc/48/89/14/1376488914.db2.gz OMMGHNXKKPRKQA-UHFFFAOYSA-N 2 1 334.485 3.218 20 0 EGADMP Oc1ccc2[nH]cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)c2c1 ZINC001232865529 1376527053 /nfs/dbraw/zinc/52/70/53/1376527053.db2.gz FKJHPABWRDYHJF-RTBURBONSA-N 2 1 347.462 3.437 20 0 EGADMP Oc1ccc2[nH]cc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2c1 ZINC001232865525 1376527600 /nfs/dbraw/zinc/52/76/00/1376527600.db2.gz FKJHPABWRDYHJF-KDURUIRLSA-N 2 1 347.462 3.437 20 0 EGADMP Oc1ccc2[nH]cc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2c1 ZINC001232865525 1376527606 /nfs/dbraw/zinc/52/76/06/1376527606.db2.gz FKJHPABWRDYHJF-KDURUIRLSA-N 2 1 347.462 3.437 20 0 EGADMP Oc1ccc2[nH]cc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)c2c1 ZINC001232865525 1376527611 /nfs/dbraw/zinc/52/76/11/1376527611.db2.gz FKJHPABWRDYHJF-KDURUIRLSA-N 2 1 347.462 3.437 20 0 EGADMP Oc1ccc2[nH]cc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)c2c1 ZINC001232865525 1376527622 /nfs/dbraw/zinc/52/76/22/1376527622.db2.gz FKJHPABWRDYHJF-KDURUIRLSA-N 2 1 347.462 3.437 20 0 EGADMP CCc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001134606963 1376622041 /nfs/dbraw/zinc/62/20/41/1376622041.db2.gz BSXLLFDRMMKLBG-IRXDYDNUSA-N 2 1 345.531 3.106 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612798 1376624967 /nfs/dbraw/zinc/62/49/67/1376624967.db2.gz QGYRASXZJVZUNR-DLBZAZTESA-N 2 1 349.563 3.314 20 0 EGADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](CC[C@H](C)SC)CC2 ZINC001235018286 1376826890 /nfs/dbraw/zinc/82/68/90/1376826890.db2.gz HKBQSJBOZHSDHP-HNNXBMFYSA-N 2 1 334.529 3.274 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC001235190955 1376858241 /nfs/dbraw/zinc/85/82/41/1376858241.db2.gz MPHJULRFNNJUTE-UHFFFAOYSA-N 2 1 344.499 3.404 20 0 EGADMP COc1cccc2c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c[nH]c21 ZINC001235428814 1376869511 /nfs/dbraw/zinc/86/95/11/1376869511.db2.gz REEIEQSWKULOJC-HZPDHXFCSA-N 2 1 327.472 3.388 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC001235429762 1376870631 /nfs/dbraw/zinc/87/06/31/1376870631.db2.gz ZLHRXOFMJYBFMS-SJORKVTESA-N 2 1 347.503 3.020 20 0 EGADMP CCOC(=O)CC[N@H+](Cc1ccccc1)CC1CC2(C1)CC[NH2+]CC2 ZINC001235430567 1376872171 /nfs/dbraw/zinc/87/21/71/1376872171.db2.gz IJSJJXPVABMNFP-UHFFFAOYSA-N 2 1 344.499 3.222 20 0 EGADMP Clc1cc2c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c[nH]c2cn1 ZINC001235430266 1376872363 /nfs/dbraw/zinc/87/23/63/1376872363.db2.gz WJRRUWDYPHQMDN-KBPBESRZSA-N 2 1 332.879 3.428 20 0 EGADMP Clc1ccn2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235430410 1376872544 /nfs/dbraw/zinc/87/25/44/1376872544.db2.gz XDRRRNFKCYEFHO-LSDHHAIUSA-N 2 1 332.879 3.199 20 0 EGADMP Clc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c2nccn2c1 ZINC001235431160 1376872720 /nfs/dbraw/zinc/87/27/20/1376872720.db2.gz LGUBLVZJOQPDIM-GJZGRUSLSA-N 2 1 332.879 3.199 20 0 EGADMP c1ccc([C@@H]2CCC[N@H+](Cc3cccc(N4CC[NH2+]CC4)c3)C2)cc1 ZINC001235666785 1376882443 /nfs/dbraw/zinc/88/24/43/1376882443.db2.gz VVJMNQWNHOVECC-OAQYLSRUSA-N 2 1 335.495 3.476 20 0 EGADMP COc1ccc([C@@H]2CSCC[N@H+]2Cc2ccc(C[NH3+])cc2)cc1 ZINC001235726069 1376887007 /nfs/dbraw/zinc/88/70/07/1376887007.db2.gz MEKWETDMTOGTAZ-IBGZPJMESA-N 2 1 328.481 3.444 20 0 EGADMP Fc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235942043 1376921068 /nfs/dbraw/zinc/92/10/68/1376921068.db2.gz XUFKPUBUGOXHAX-PKOBYXMFSA-N 2 1 340.442 3.446 20 0 EGADMP Fc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235942043 1376921072 /nfs/dbraw/zinc/92/10/72/1376921072.db2.gz XUFKPUBUGOXHAX-PKOBYXMFSA-N 2 1 340.442 3.446 20 0 EGADMP CC[N@H+](Cc1cccc(C(=O)NCC[NH3+])c1)Cc1ccc(C)c(C)c1 ZINC001236240971 1376945118 /nfs/dbraw/zinc/94/51/18/1376945118.db2.gz OUQJAOYFOUJWPD-UHFFFAOYSA-N 2 1 339.483 3.014 20 0 EGADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]C2CCC3(C[NH2+]C3)CC2)CC[NH2+]1 ZINC001246379522 1377051545 /nfs/dbraw/zinc/05/15/45/1377051545.db2.gz PRTJCQCYQZOHSS-IEBWSBKVSA-N 3 1 331.479 3.049 20 0 EGADMP C[C@@H]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC001246547044 1377051987 /nfs/dbraw/zinc/05/19/87/1377051987.db2.gz ALBZHMALEPJXTI-BBPUYGCGSA-N 2 1 329.532 3.345 20 0 EGADMP c1cc(CN2C[C@H]3C[C@@H](C2)[N@H+]([C@@H]2CC[NH2+]C4(CCCCC4)C2)C3)co1 ZINC001246750279 1377054441 /nfs/dbraw/zinc/05/44/41/1377054441.db2.gz UBZXHAXQZKDXQD-AQNXPRMDSA-N 2 1 343.515 3.241 20 0 EGADMP Cc1c(F)cccc1-c1noc(C2CC[NH+](C3CC[NH2+]CC3)CC2)n1 ZINC001247908458 1377065267 /nfs/dbraw/zinc/06/52/67/1377065267.db2.gz SLMPPLKJMNWOCD-UHFFFAOYSA-N 2 1 344.434 3.116 20 0 EGADMP O[C@@]1(CNc2cccc3ccncc32)CC[N@@H+](Cc2ccccc2)C1 ZINC001252935008 1377093422 /nfs/dbraw/zinc/09/34/22/1377093422.db2.gz ASYQKFISXFJPAX-OAQYLSRUSA-N 2 1 333.435 3.284 20 0 EGADMP O[C@@]1(CNc2cccc3cc[nH+]cc32)CC[N@H+](Cc2ccccc2)C1 ZINC001252935008 1377093425 /nfs/dbraw/zinc/09/34/25/1377093425.db2.gz ASYQKFISXFJPAX-OAQYLSRUSA-N 2 1 333.435 3.284 20 0 EGADMP O[C@@]1(CNc2cccc3cc[nH+]cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC001252935008 1377093428 /nfs/dbraw/zinc/09/34/28/1377093428.db2.gz ASYQKFISXFJPAX-OAQYLSRUSA-N 2 1 333.435 3.284 20 0 EGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H]1CCc2ccc(C(F)(F)F)cc21 ZINC001253410952 1377097471 /nfs/dbraw/zinc/09/74/71/1377097471.db2.gz YFEMQNFOLQMBKU-DZGCQCFKSA-N 2 1 330.394 3.031 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1ccccc1F ZINC001135440403 1377098614 /nfs/dbraw/zinc/09/86/14/1377098614.db2.gz LUOJAOZKDSTGBH-INIZCTEOSA-N 2 1 337.483 3.105 20 0 EGADMP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254510381 1377105319 /nfs/dbraw/zinc/10/53/19/1377105319.db2.gz VERQTJNKSMRUTP-UKRRQHHQSA-N 2 1 325.294 3.454 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254530035 1377106512 /nfs/dbraw/zinc/10/65/12/1377106512.db2.gz TYHXGHXIWXGRSI-SLFFLAALSA-N 2 1 344.499 3.282 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254530035 1377106526 /nfs/dbraw/zinc/10/65/26/1377106526.db2.gz TYHXGHXIWXGRSI-SLFFLAALSA-N 2 1 344.499 3.282 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254530035 1377106534 /nfs/dbraw/zinc/10/65/34/1377106534.db2.gz TYHXGHXIWXGRSI-SLFFLAALSA-N 2 1 344.499 3.282 20 0 EGADMP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477269 1377111484 /nfs/dbraw/zinc/11/14/84/1377111484.db2.gz UIDVBCFYOYITSI-IRXDYDNUSA-N 2 1 325.541 3.172 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135481236 1377114037 /nfs/dbraw/zinc/11/40/37/1377114037.db2.gz RQLBBCBFFYVLEG-IRXDYDNUSA-N 2 1 339.568 3.418 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(C)(C)C ZINC001135583782 1377155042 /nfs/dbraw/zinc/15/50/42/1377155042.db2.gz FLKKTTBSWDHFPF-HZPDHXFCSA-N 2 1 336.524 3.316 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1 ZINC001135586199 1377155821 /nfs/dbraw/zinc/15/58/21/1377155821.db2.gz YQMUGJFWUJEUFD-DLBZAZTESA-N 2 1 342.487 3.080 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC1 ZINC001135601435 1377159349 /nfs/dbraw/zinc/15/93/49/1377159349.db2.gz UKCLJUPIWXWEEG-CVEARBPZSA-N 2 1 334.508 3.070 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1 ZINC001135678441 1377181428 /nfs/dbraw/zinc/18/14/28/1377181428.db2.gz FIXFVPJCDYZKKV-DLBZAZTESA-N 2 1 342.487 3.045 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC1 ZINC001135691632 1377185611 /nfs/dbraw/zinc/18/56/11/1377185611.db2.gz XTTVNSUISVTQTK-IRXDYDNUSA-N 2 1 325.541 3.172 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1Cl ZINC001135858454 1377236870 /nfs/dbraw/zinc/23/68/70/1377236870.db2.gz YHBUZYUIBMXPOC-LSDHHAIUSA-N 2 1 339.911 3.055 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266233497 1377239628 /nfs/dbraw/zinc/23/96/28/1377239628.db2.gz LRWPQMUVBHEFBU-IPLHWJFFSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001266245787 1377243865 /nfs/dbraw/zinc/24/38/65/1377243865.db2.gz GRKWGFJUPHSCFS-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(CC)c1 ZINC001135992873 1377291160 /nfs/dbraw/zinc/29/11/60/1377291160.db2.gz WBHJQGGPPPCXMZ-ROUUACIJSA-N 2 1 347.547 3.354 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C ZINC001135995582 1377292032 /nfs/dbraw/zinc/29/20/32/1377292032.db2.gz IDBXBALQVLERBM-MSOLQXFVSA-N 2 1 333.520 3.100 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC001136465383 1377395624 /nfs/dbraw/zinc/39/56/24/1377395624.db2.gz MAZNRHSBRPELOU-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC001136473378 1377396718 /nfs/dbraw/zinc/39/67/18/1377396718.db2.gz KXQIUKAKMLKUHD-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1CCC(C)(C)CC1 ZINC001136541778 1377403422 /nfs/dbraw/zinc/40/34/22/1377403422.db2.gz NJSPABKQZFVCJF-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC001136941767 1377443741 /nfs/dbraw/zinc/44/37/41/1377443741.db2.gz GMDGLSVRTAZGCE-UHFFFAOYSA-N 2 1 347.409 3.356 20 0 EGADMP CC[C@H](C(=O)N1CCC(C[N@@H+](C)CCC2CCCC2)CC1)[NH+](C)C ZINC001267604094 1377463526 /nfs/dbraw/zinc/46/35/26/1377463526.db2.gz JHTTUEZLRXKCBF-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP Clc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cn1 ZINC001137162862 1377488910 /nfs/dbraw/zinc/48/89/10/1377488910.db2.gz MKUVQAWQSSYRBI-UHFFFAOYSA-N 2 1 337.895 3.059 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cnc3ccc(C)cn23)CC1 ZINC001137306376 1377514092 /nfs/dbraw/zinc/51/40/92/1377514092.db2.gz RFVKQGHETICWQY-UHFFFAOYSA-N 2 1 335.455 3.085 20 0 EGADMP Cc1c(C(=O)N[C@H](C)C[N@H+](C)C[C@@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001268736062 1377520923 /nfs/dbraw/zinc/52/09/23/1377520923.db2.gz QBIOXWUUAXDZQL-JKSUJKDBSA-N 2 1 344.503 3.375 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001272020359 1377654549 /nfs/dbraw/zinc/65/45/49/1377654549.db2.gz KNHYJBAFHRNDKZ-SFHVURJKSA-N 2 1 345.531 3.402 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CCCCCC1 ZINC001272178958 1377659731 /nfs/dbraw/zinc/65/97/31/1377659731.db2.gz UPBHKJQKOFIWFH-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)CC1CCCCCC1 ZINC001272178958 1377659737 /nfs/dbraw/zinc/65/97/37/1377659737.db2.gz UPBHKJQKOFIWFH-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC1CCCCCC1 ZINC001272178958 1377659742 /nfs/dbraw/zinc/65/97/42/1377659742.db2.gz UPBHKJQKOFIWFH-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCOC(=O)CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138544552 1377739422 /nfs/dbraw/zinc/73/94/22/1377739422.db2.gz LFPOLSKEYUTXOJ-UHFFFAOYSA-N 2 1 341.455 3.346 20 0 EGADMP c1cc2cc(CN3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)cnc2[nH]1 ZINC001138740384 1377777573 /nfs/dbraw/zinc/77/75/73/1377777573.db2.gz USMQNSPALYQGPK-BGYRXZFFSA-N 2 1 332.451 3.127 20 0 EGADMP c1cc2cc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)cnc2[nH]1 ZINC001138740384 1377777578 /nfs/dbraw/zinc/77/75/78/1377777578.db2.gz USMQNSPALYQGPK-BGYRXZFFSA-N 2 1 332.451 3.127 20 0 EGADMP c1cc2cc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)cnc2[nH]1 ZINC001138740384 1377777583 /nfs/dbraw/zinc/77/75/83/1377777583.db2.gz USMQNSPALYQGPK-BGYRXZFFSA-N 2 1 332.451 3.127 20 0 EGADMP CC(C)N(Cc1cnn(Cc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001138767291 1377781785 /nfs/dbraw/zinc/78/17/85/1377781785.db2.gz JKYJGKNGHAVEEF-UHFFFAOYSA-N 2 1 326.488 3.236 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)cc1 ZINC001138770300 1377782265 /nfs/dbraw/zinc/78/22/65/1377782265.db2.gz YODNWBVNVNBAQV-MRXNPFEDSA-N 2 1 330.394 3.196 20 0 EGADMP CCN(CC)c1ncc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)s1 ZINC001138802229 1377786821 /nfs/dbraw/zinc/78/68/21/1377786821.db2.gz AXBKPFURCDEHJE-UHFFFAOYSA-N 2 1 345.516 3.015 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC001138864145 1377796193 /nfs/dbraw/zinc/79/61/93/1377796193.db2.gz KJEJOYWRPZRJJT-UHFFFAOYSA-N 2 1 333.439 3.072 20 0 EGADMP CN1CCN(c2ncc(C[N@H+]3CCC[C@H]3C3CCCCC3)s2)CC1 ZINC001139325667 1377868877 /nfs/dbraw/zinc/86/88/77/1377868877.db2.gz VSLMHCMQODIEJB-SFHVURJKSA-N 2 1 348.560 3.440 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]3C3CCCCC3)s2)CC1 ZINC001139325667 1377868878 /nfs/dbraw/zinc/86/88/78/1377868878.db2.gz VSLMHCMQODIEJB-SFHVURJKSA-N 2 1 348.560 3.440 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]3C3CCCCC3)s2)CC1 ZINC001139325667 1377868879 /nfs/dbraw/zinc/86/88/79/1377868879.db2.gz VSLMHCMQODIEJB-SFHVURJKSA-N 2 1 348.560 3.440 20 0 EGADMP CC[N@@H+]1C[C@H]2CN(Cc3cc4ccc(Br)cc4[nH]3)C[C@H]2C1 ZINC001139475618 1377891471 /nfs/dbraw/zinc/89/14/71/1377891471.db2.gz GZFOSMSADIVAQN-OKILXGFUSA-N 2 1 348.288 3.314 20 0 EGADMP CC(=O)N1CC[C@@H]([N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C(C)C)C1 ZINC001140027624 1377992893 /nfs/dbraw/zinc/99/28/93/1377992893.db2.gz SKVWQRYTXVYYBR-LJQANCHMSA-N 2 1 340.471 3.012 20 0 EGADMP CC(=O)N1CC[C@@H]([N@H+](Cc2ccccc2-n2cc[nH+]c2C)C(C)C)C1 ZINC001140027624 1377992895 /nfs/dbraw/zinc/99/28/95/1377992895.db2.gz SKVWQRYTXVYYBR-LJQANCHMSA-N 2 1 340.471 3.012 20 0 EGADMP COc1ccc2n[nH]c(C[N@@H+](C)CC3CC[NH+](C(C)C)CC3)c2c1 ZINC001140068163 1378000050 /nfs/dbraw/zinc/00/00/50/1378000050.db2.gz AEDXGBICJNCJNX-UHFFFAOYSA-N 2 1 330.476 3.124 20 0 EGADMP COc1ccc2[nH]nc(C[N@H+](C)CC3CC[NH+](C(C)C)CC3)c2c1 ZINC001140068163 1378000051 /nfs/dbraw/zinc/00/00/51/1378000051.db2.gz AEDXGBICJNCJNX-UHFFFAOYSA-N 2 1 330.476 3.124 20 0 EGADMP COc1ccc2[nH]nc(C[N@@H+](C)CC3CC[NH+](C(C)C)CC3)c2c1 ZINC001140068163 1378000052 /nfs/dbraw/zinc/00/00/52/1378000052.db2.gz AEDXGBICJNCJNX-UHFFFAOYSA-N 2 1 330.476 3.124 20 0 EGADMP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1ccc(O)cc1)CC2 ZINC001275892248 1378161494 /nfs/dbraw/zinc/16/14/94/1378161494.db2.gz PUSQQPYFQLDWHB-UHFFFAOYSA-N 2 1 343.496 3.255 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(CN2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001276576949 1378180180 /nfs/dbraw/zinc/18/01/80/1378180180.db2.gz RQDZGTRDFJWCNY-HXUWFJFHSA-N 2 1 333.495 3.195 20 0 EGADMP Cc1noc(C)c1C[N@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001276618179 1378181458 /nfs/dbraw/zinc/18/14/58/1378181458.db2.gz ZGJJPNANFBQBDH-UHFFFAOYSA-N 2 1 325.456 3.271 20 0 EGADMP C[N@H+](Cc1ccccc1F)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140973166 1378197203 /nfs/dbraw/zinc/19/72/03/1378197203.db2.gz FJLPRJRUGFJNOL-UHFFFAOYSA-N 2 1 327.447 3.210 20 0 EGADMP C[N@@H+](Cc1ccccc1F)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140973166 1378197205 /nfs/dbraw/zinc/19/72/05/1378197205.db2.gz FJLPRJRUGFJNOL-UHFFFAOYSA-N 2 1 327.447 3.210 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](CCC3CCCC3)C2)C1 ZINC001277537690 1378232938 /nfs/dbraw/zinc/23/29/38/1378232938.db2.gz JTECPUDIGGBOTO-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@H+](CCC3CCCC3)C2)C1 ZINC001277537690 1378232941 /nfs/dbraw/zinc/23/29/41/1378232941.db2.gz JTECPUDIGGBOTO-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001277537690 1378232953 /nfs/dbraw/zinc/23/29/53/1378232953.db2.gz JTECPUDIGGBOTO-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccc(C(C)(C)C)c1 ZINC001141103171 1378240102 /nfs/dbraw/zinc/24/01/02/1378240102.db2.gz FPGREGUFFYYTLP-VQTJNVASSA-N 2 1 329.532 3.194 20 0 EGADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccnc5[nH]ccc54)C[C@H]3C2)c1 ZINC001142874558 1378501337 /nfs/dbraw/zinc/50/13/37/1378501337.db2.gz XZQFXTPQOWFLDJ-IYBDPMFKSA-N 2 1 338.480 3.188 20 0 EGADMP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccnc5[nH]ccc54)C[C@H]3C2)c1 ZINC001142874558 1378501339 /nfs/dbraw/zinc/50/13/39/1378501339.db2.gz XZQFXTPQOWFLDJ-IYBDPMFKSA-N 2 1 338.480 3.188 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccnc5[nH]ccc54)C[C@H]3C2)c1 ZINC001142874558 1378501344 /nfs/dbraw/zinc/50/13/44/1378501344.db2.gz XZQFXTPQOWFLDJ-IYBDPMFKSA-N 2 1 338.480 3.188 20 0 EGADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccnc5[nH]ccc54)C[C@H]3C2)c1 ZINC001142874558 1378501350 /nfs/dbraw/zinc/50/13/50/1378501350.db2.gz XZQFXTPQOWFLDJ-IYBDPMFKSA-N 2 1 338.480 3.188 20 0 EGADMP Cc1cnc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1Br ZINC001143663607 1378633135 /nfs/dbraw/zinc/63/31/35/1378633135.db2.gz ZWSQEXHTBSGESE-UHFFFAOYSA-N 2 1 338.293 3.070 20 0 EGADMP c1[nH+]c(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2ccccn12 ZINC001144627443 1378753273 /nfs/dbraw/zinc/75/32/73/1378753273.db2.gz PAXGIFIGNGAVLL-RXVVDRJESA-N 2 1 332.451 3.041 20 0 EGADMP c1[nH+]c(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2ccccn12 ZINC001144627443 1378753274 /nfs/dbraw/zinc/75/32/74/1378753274.db2.gz PAXGIFIGNGAVLL-RXVVDRJESA-N 2 1 332.451 3.041 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001146601620 1378875454 /nfs/dbraw/zinc/87/54/54/1378875454.db2.gz MWLQIYFJOVFYIK-IRXDYDNUSA-N 2 1 345.531 3.277 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCC1CCCCC1 ZINC001147359538 1379009360 /nfs/dbraw/zinc/00/93/60/1379009360.db2.gz REARSDNVMRPHDK-LJQANCHMSA-N 2 1 337.552 3.317 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001283691226 1379120543 /nfs/dbraw/zinc/12/05/43/1379120543.db2.gz AQRZKZOMCGUJCD-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CC(C)(C)C1)C2)[NH+](CC)CC ZINC001148286142 1379145934 /nfs/dbraw/zinc/14/59/34/1379145934.db2.gz UBYPELXEVSTWFU-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[N@H+]1CCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001148834011 1379280015 /nfs/dbraw/zinc/28/00/15/1379280015.db2.gz RBXUIBPYFBGTAK-UHFFFAOYSA-N 2 1 343.515 3.086 20 0 EGADMP CC[N@@H+](CC(C)C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001153361673 1380063942 /nfs/dbraw/zinc/06/39/42/1380063942.db2.gz FIHKZOJEPWTSFG-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC(C)C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153361673 1380063947 /nfs/dbraw/zinc/06/39/47/1380063947.db2.gz FIHKZOJEPWTSFG-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC(C)C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153361673 1380063951 /nfs/dbraw/zinc/06/39/51/1380063951.db2.gz FIHKZOJEPWTSFG-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC=C(C)C ZINC001153431931 1380075673 /nfs/dbraw/zinc/07/56/73/1380075673.db2.gz CXAYFTHXNPCMLY-IAGOWNOFSA-N 2 1 334.508 3.189 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C ZINC001153431931 1380075687 /nfs/dbraw/zinc/07/56/87/1380075687.db2.gz CXAYFTHXNPCMLY-IAGOWNOFSA-N 2 1 334.508 3.189 20 0 EGADMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H](C)[N@@H+](CC)CCC1CCCC1 ZINC001153677448 1380113667 /nfs/dbraw/zinc/11/36/67/1380113667.db2.gz DODWLRJIOPBOBJ-AEFFLSMTSA-N 2 1 343.531 3.073 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CC2(CCC2)C1 ZINC001153720542 1380118985 /nfs/dbraw/zinc/11/89/85/1380118985.db2.gz JCCCBDUIRREXBB-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC1CC2(CCC2)C1 ZINC001153720542 1380118986 /nfs/dbraw/zinc/11/89/86/1380118986.db2.gz JCCCBDUIRREXBB-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC1CC2(CCC2)C1 ZINC001153720542 1380118987 /nfs/dbraw/zinc/11/89/87/1380118987.db2.gz JCCCBDUIRREXBB-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2nccn21 ZINC001153818937 1380136351 /nfs/dbraw/zinc/13/63/51/1380136351.db2.gz GUVYSAUNYCRLLC-WBVHZDCISA-N 2 1 334.508 3.023 20 0 EGADMP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153818937 1380136353 /nfs/dbraw/zinc/13/63/53/1380136353.db2.gz GUVYSAUNYCRLLC-WBVHZDCISA-N 2 1 334.508 3.023 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153818937 1380136355 /nfs/dbraw/zinc/13/63/55/1380136355.db2.gz GUVYSAUNYCRLLC-WBVHZDCISA-N 2 1 334.508 3.023 20 0 EGADMP CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001153819427 1380136911 /nfs/dbraw/zinc/13/69/11/1380136911.db2.gz YYAYARRCXGEDKJ-VQIMIIECSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CCC1CC1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001153819427 1380136913 /nfs/dbraw/zinc/13/69/13/1380136913.db2.gz YYAYARRCXGEDKJ-VQIMIIECSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CCC1CC1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001153819427 1380136914 /nfs/dbraw/zinc/13/69/14/1380136914.db2.gz YYAYARRCXGEDKJ-VQIMIIECSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](C/C=C\c1ccccc1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153824137 1380137267 /nfs/dbraw/zinc/13/72/67/1380137267.db2.gz MKUXOCXGGGALJR-YVJSUPCUSA-N 2 1 343.515 3.011 20 0 EGADMP CC[N@@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153879242 1380148229 /nfs/dbraw/zinc/14/82/29/1380148229.db2.gz BKTGVQKDLLWXLN-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153879242 1380148231 /nfs/dbraw/zinc/14/82/31/1380148231.db2.gz BKTGVQKDLLWXLN-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153879242 1380148232 /nfs/dbraw/zinc/14/82/32/1380148232.db2.gz BKTGVQKDLLWXLN-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C/C=C/c1ccccc1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930809 1380157266 /nfs/dbraw/zinc/15/72/66/1380157266.db2.gz YKDZSFGARUXOLH-ZLKQTWRCSA-N 2 1 345.531 3.113 20 0 EGADMP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154034006 1380187117 /nfs/dbraw/zinc/18/71/17/1380187117.db2.gz SMBUNHGYPHIVOH-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154034006 1380187118 /nfs/dbraw/zinc/18/71/18/1380187118.db2.gz SMBUNHGYPHIVOH-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154034006 1380187120 /nfs/dbraw/zinc/18/71/20/1380187120.db2.gz SMBUNHGYPHIVOH-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455101 1380280487 /nfs/dbraw/zinc/28/04/87/1380280487.db2.gz FNKTZHDRDUAFHE-PORCLINASA-N 2 1 349.563 3.434 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455088 1380280500 /nfs/dbraw/zinc/28/05/00/1380280500.db2.gz DZTUVWCCFOETFN-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455009 1380280600 /nfs/dbraw/zinc/28/06/00/1380280600.db2.gz BEVNWVVTGWPCKZ-YLJYHZDGSA-N 2 1 347.547 3.188 20 0 EGADMP CC[N@@H+](CCCCc1ccccc1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904151 1380374615 /nfs/dbraw/zinc/37/46/15/1380374615.db2.gz MQWQDZQGBSIYMW-LJQANCHMSA-N 2 1 347.547 3.178 20 0 EGADMP COC(=O)c1ccc(-c2ccc(NC[C@H]3C[NH2+][C@H](C)C3)[nH+]c2C)cc1 ZINC001155102255 1380408910 /nfs/dbraw/zinc/40/89/10/1380408910.db2.gz WKAHGFVNCVLDNT-UKRRQHHQSA-N 2 1 339.439 3.254 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(C)c1)[NH+](CC)CC ZINC001155175605 1380419692 /nfs/dbraw/zinc/41/96/92/1380419692.db2.gz ZHXXSBLNJJHKNM-UYAOXDASSA-N 2 1 347.547 3.442 20 0 EGADMP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH]cnc21 ZINC001155193846 1380422458 /nfs/dbraw/zinc/42/24/58/1380422458.db2.gz RRMWXLJLXSATQG-WBVHZDCISA-N 2 1 346.519 3.237 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH]cnc21 ZINC001155193846 1380422459 /nfs/dbraw/zinc/42/24/59/1380422459.db2.gz RRMWXLJLXSATQG-WBVHZDCISA-N 2 1 346.519 3.237 20 0 EGADMP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH]cnc21 ZINC001155192863 1380422472 /nfs/dbraw/zinc/42/24/72/1380422472.db2.gz CUXREZJOAIGSJE-HZPDHXFCSA-N 2 1 334.508 3.237 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH]cnc21 ZINC001155192863 1380422473 /nfs/dbraw/zinc/42/24/73/1380422473.db2.gz CUXREZJOAIGSJE-HZPDHXFCSA-N 2 1 334.508 3.237 20 0 EGADMP CCc1ccc(C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]2CCC[C@@H]2C)cc1 ZINC001155225841 1380426324 /nfs/dbraw/zinc/42/63/24/1380426324.db2.gz AJJLJQIXVAUIPK-ZWKOTPCHSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]2CCC[C@@H]2C)cc1 ZINC001155225841 1380426325 /nfs/dbraw/zinc/42/63/25/1380426325.db2.gz AJJLJQIXVAUIPK-ZWKOTPCHSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[NH+](CC)[C@H](C)CNC(=O)C[N@H+]2CCC[C@@H]2C)cc1 ZINC001155225841 1380426326 /nfs/dbraw/zinc/42/63/26/1380426326.db2.gz AJJLJQIXVAUIPK-ZWKOTPCHSA-N 2 1 345.531 3.060 20 0 EGADMP Cc1c(Cl)ccc2ccc(N3CCC[C@@H]([NH+]4CC(C[NH3+])C4)C3)nc12 ZINC001155375143 1380443256 /nfs/dbraw/zinc/44/32/56/1380443256.db2.gz AXNCYKRKIIOVEJ-MRXNPFEDSA-N 2 1 344.890 3.056 20 0 EGADMP Cc1cc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)nc2cc(Cl)ccc12 ZINC001155376733 1380443273 /nfs/dbraw/zinc/44/32/73/1380443273.db2.gz NRADQLPUQHQDPF-MRXNPFEDSA-N 2 1 344.890 3.056 20 0 EGADMP Cc1ccc2c(C)cc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)[nH+]c2c1C ZINC001155526163 1380464423 /nfs/dbraw/zinc/46/44/23/1380464423.db2.gz PMMNPDRASHSHNV-KBAYOESNSA-N 2 1 325.456 3.196 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001155620404 1380474813 /nfs/dbraw/zinc/47/48/13/1380474813.db2.gz GQLGOLYAOXJXRM-QZTJIDSGSA-N 2 1 325.541 3.124 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001155621089 1380475004 /nfs/dbraw/zinc/47/50/04/1380475004.db2.gz MZSKRKXOTHFLOZ-FAPWYTRCSA-N 2 1 337.552 3.432 20 0 EGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001155621089 1380475005 /nfs/dbraw/zinc/47/50/05/1380475005.db2.gz MZSKRKXOTHFLOZ-FAPWYTRCSA-N 2 1 337.552 3.432 20 0 EGADMP CC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001155621089 1380475006 /nfs/dbraw/zinc/47/50/06/1380475006.db2.gz MZSKRKXOTHFLOZ-FAPWYTRCSA-N 2 1 337.552 3.432 20 0 EGADMP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155829052 1380496250 /nfs/dbraw/zinc/49/62/50/1380496250.db2.gz BYPCBCLVIOTMJT-QGZVFWFLSA-N 2 1 336.524 3.235 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155829052 1380496251 /nfs/dbraw/zinc/49/62/51/1380496251.db2.gz BYPCBCLVIOTMJT-QGZVFWFLSA-N 2 1 336.524 3.235 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC001155997493 1380512037 /nfs/dbraw/zinc/51/20/37/1380512037.db2.gz CXLDOQHYHXUCAQ-RBUKOAKNSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001155997493 1380512038 /nfs/dbraw/zinc/51/20/38/1380512038.db2.gz CXLDOQHYHXUCAQ-RBUKOAKNSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001155997493 1380512039 /nfs/dbraw/zinc/51/20/39/1380512039.db2.gz CXLDOQHYHXUCAQ-RBUKOAKNSA-N 2 1 335.536 3.164 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131261 1380529201 /nfs/dbraw/zinc/52/92/01/1380529201.db2.gz JVAGLPCSEGHMMX-QGZVFWFLSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC/C=C/c1ccccc1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156194769 1380539900 /nfs/dbraw/zinc/53/99/00/1380539900.db2.gz VNZLSOWRTVSEKM-NRJHKNTJSA-N 2 1 345.531 3.258 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CC/C=C/c1ccccc1 ZINC001156194769 1380539901 /nfs/dbraw/zinc/53/99/01/1380539901.db2.gz VNZLSOWRTVSEKM-NRJHKNTJSA-N 2 1 345.531 3.258 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CC/C=C/c1ccccc1 ZINC001156194769 1380539902 /nfs/dbraw/zinc/53/99/02/1380539902.db2.gz VNZLSOWRTVSEKM-NRJHKNTJSA-N 2 1 345.531 3.258 20 0 EGADMP CN(C)c1cc[nH+]c(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001156315373 1380556903 /nfs/dbraw/zinc/55/69/03/1380556903.db2.gz BEPAKDYBHQDBSE-YSIASYRMSA-N 2 1 336.483 3.470 20 0 EGADMP CC[N@@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409333 1380573090 /nfs/dbraw/zinc/57/30/90/1380573090.db2.gz KZFWEJVJDYPFGR-GOSISDBHSA-N 2 1 349.563 3.269 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CCC ZINC001156517132 1380587215 /nfs/dbraw/zinc/58/72/15/1380587215.db2.gz NKZMYLSWXRSSBK-DOJUMQAQSA-N 2 1 325.541 3.291 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)CC[N@H+](C)CCC ZINC001156517132 1380587216 /nfs/dbraw/zinc/58/72/16/1380587216.db2.gz NKZMYLSWXRSSBK-DOJUMQAQSA-N 2 1 325.541 3.291 20 0 EGADMP CCC/C=C/CC[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)CCC ZINC001156517132 1380587218 /nfs/dbraw/zinc/58/72/18/1380587218.db2.gz NKZMYLSWXRSSBK-DOJUMQAQSA-N 2 1 325.541 3.291 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2C)CC1(C)C ZINC001328099557 1388671489 /nfs/dbraw/zinc/67/14/89/1388671489.db2.gz WMXNZBDGINDAIU-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C)CC1(C)C ZINC001328099557 1388671491 /nfs/dbraw/zinc/67/14/91/1388671491.db2.gz WMXNZBDGINDAIU-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C)CC1(C)C ZINC001328099557 1388671492 /nfs/dbraw/zinc/67/14/92/1388671492.db2.gz WMXNZBDGINDAIU-IBGZPJMESA-N 2 1 345.531 3.054 20 0 EGADMP CC[N@@H+](Cc1c(C)cc(C)cc1C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156901026 1380721306 /nfs/dbraw/zinc/72/13/06/1380721306.db2.gz IFZWDRXLXSAXFX-LJQANCHMSA-N 2 1 345.531 3.034 20 0 EGADMP CC[N@@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156935564 1380733282 /nfs/dbraw/zinc/73/32/82/1380733282.db2.gz SIIAHKLKRFRNTJ-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP Cc1cnc(N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)c(C[NH3+])c1 ZINC001157074508 1380768656 /nfs/dbraw/zinc/76/86/56/1380768656.db2.gz HVSAMPQPAOIPPG-UHFFFAOYSA-N 2 1 342.462 3.089 20 0 EGADMP CC[N@@H+](Cc1cc(C)sc1C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157108691 1380777578 /nfs/dbraw/zinc/77/75/78/1380777578.db2.gz AOPHATBUYPIAKE-CQSZACIVSA-N 2 1 339.549 3.032 20 0 EGADMP CC[NH+](Cc1cc(C)sc1C)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157108691 1380777580 /nfs/dbraw/zinc/77/75/80/1380777580.db2.gz AOPHATBUYPIAKE-CQSZACIVSA-N 2 1 339.549 3.032 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001157893399 1381063514 /nfs/dbraw/zinc/06/35/14/1381063514.db2.gz FFDHKICGTVAKLI-VLUHHTHFSA-N 2 1 343.515 3.059 20 0 EGADMP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001158128750 1381136952 /nfs/dbraw/zinc/13/69/52/1381136952.db2.gz JCQXCWIRTDJLOV-PSUNPMBVSA-N 2 1 337.552 3.386 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](C2CCN(c3nc(Cl)cc4ccc(F)cc43)CC2)C1 ZINC001158260245 1381176978 /nfs/dbraw/zinc/17/69/78/1381176978.db2.gz ZIKBTSPQSHXTHZ-AWEZNQCLSA-N 2 1 348.853 3.029 20 0 EGADMP [NH3+][C@H]1CC[N@H+](C2CCN(c3nc(Cl)cc4ccc(F)cc43)CC2)C1 ZINC001158260245 1381176980 /nfs/dbraw/zinc/17/69/80/1381176980.db2.gz ZIKBTSPQSHXTHZ-AWEZNQCLSA-N 2 1 348.853 3.029 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH2+]CCCC1CCC1 ZINC001158354234 1381213884 /nfs/dbraw/zinc/21/38/84/1381213884.db2.gz FNXPIUXCSMEFDN-INIZCTEOSA-N 2 1 334.508 3.073 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCC2CCCC2)CC1 ZINC001158419539 1381239829 /nfs/dbraw/zinc/23/98/29/1381239829.db2.gz UGWWZSHVIUJPDM-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CCC2CCCC2)C1 ZINC001158473968 1381257648 /nfs/dbraw/zinc/25/76/48/1381257648.db2.gz RQGNHRZSWXLNIE-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@H+](C)CCC2CCCC2)C1 ZINC001158473968 1381257654 /nfs/dbraw/zinc/25/76/54/1381257654.db2.gz RQGNHRZSWXLNIE-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CCC2CCCC2)C1 ZINC001158473968 1381257655 /nfs/dbraw/zinc/25/76/55/1381257655.db2.gz RQGNHRZSWXLNIE-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)C ZINC001158598002 1381313245 /nfs/dbraw/zinc/31/32/45/1381313245.db2.gz OABIFIZXGKCNFR-LJQANCHMSA-N 2 1 348.535 3.331 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)C ZINC001158598002 1381313255 /nfs/dbraw/zinc/31/32/55/1381313255.db2.gz OABIFIZXGKCNFR-LJQANCHMSA-N 2 1 348.535 3.331 20 0 EGADMP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001158616691 1381323371 /nfs/dbraw/zinc/32/33/71/1381323371.db2.gz RESHLVRQSDAPAP-AZUAARDMSA-N 2 1 345.531 3.402 20 0 EGADMP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158767975 1381389831 /nfs/dbraw/zinc/38/98/31/1381389831.db2.gz BGZDSILWAFIKNV-OVKVCFKUSA-N 2 1 337.552 3.388 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158914362 1381461631 /nfs/dbraw/zinc/46/16/31/1381461631.db2.gz OFGZTMRHJXZOSO-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158914694 1381463055 /nfs/dbraw/zinc/46/30/55/1381463055.db2.gz SHQHWRJHPPSVKL-RTBURBONSA-N 2 1 337.552 3.221 20 0 EGADMP Cc1c[nH+]c(N2CCC3(CC2)[NH2+]Cc2ccccc23)nc1NCC1CC1 ZINC001159026393 1381518266 /nfs/dbraw/zinc/51/82/66/1381518266.db2.gz QJUHDKSEISIMEY-UHFFFAOYSA-N 2 1 349.482 3.206 20 0 EGADMP Cc1[nH]c2nc[nH+]c(N3CCC4(CC3)[NH2+]Cc3ccccc34)c2c1C ZINC001159031446 1381522282 /nfs/dbraw/zinc/52/22/82/1381522282.db2.gz IVFXSPVIIDCLFW-UHFFFAOYSA-N 2 1 333.439 3.174 20 0 EGADMP c1cc(OC[C@H]2CCCO2)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328412381 1388739608 /nfs/dbraw/zinc/73/96/08/1388739608.db2.gz PRYREBSZXUTSBQ-HXUWFJFHSA-N 2 1 344.499 3.210 20 0 EGADMP CN1CCN(c2cc[nH+]cc2Nc2ccc([C@@H]3CCC[NH2+]3)cc2)CC1 ZINC001159365200 1381777894 /nfs/dbraw/zinc/77/78/94/1381777894.db2.gz ATCIZBITTQJZDR-SFHVURJKSA-N 2 1 337.471 3.002 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001159839321 1381917070 /nfs/dbraw/zinc/91/70/70/1381917070.db2.gz YEOYHYLCYSTCRE-OALUTQOASA-N 2 1 345.531 3.130 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC001159908737 1381933975 /nfs/dbraw/zinc/93/39/75/1381933975.db2.gz JLFSYGIXUSKZOP-HKUYNNGSSA-N 2 1 331.504 3.106 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001159908699 1381934319 /nfs/dbraw/zinc/93/43/19/1381934319.db2.gz IWLJHJDAQQTECQ-MSOLQXFVSA-N 2 1 325.541 3.027 20 0 EGADMP CC1CCC(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001159908249 1381934644 /nfs/dbraw/zinc/93/46/44/1381934644.db2.gz HSMHDVZVIMLQIC-QLOJAFMTSA-N 2 1 349.563 3.316 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@H]1CCCc2[nH+]ccn21 ZINC001159933098 1381940243 /nfs/dbraw/zinc/94/02/43/1381940243.db2.gz ZKRAHVSIFSBEPP-GOSISDBHSA-N 2 1 346.519 3.217 20 0 EGADMP FC(F)(F)c1c[nH+]ccc1Nc1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC001159953689 1381948259 /nfs/dbraw/zinc/94/82/59/1381948259.db2.gz OCTBBUNHUKOCNZ-AWEZNQCLSA-N 2 1 337.345 3.397 20 0 EGADMP CC[C@@H](Nc1nc(N2CCC([NH3+])CC2)cc[nH+]1)c1ccccc1C ZINC001160038119 1381975459 /nfs/dbraw/zinc/97/54/59/1381975459.db2.gz JZHJYGTULRYPAL-QGZVFWFLSA-N 2 1 325.460 3.276 20 0 EGADMP CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001160142388 1382014759 /nfs/dbraw/zinc/01/47/59/1382014759.db2.gz IQXUJWQTCCZBGL-LJQANCHMSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001160142388 1382014763 /nfs/dbraw/zinc/01/47/63/1382014763.db2.gz IQXUJWQTCCZBGL-LJQANCHMSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001160142388 1382014766 /nfs/dbraw/zinc/01/47/66/1382014766.db2.gz IQXUJWQTCCZBGL-LJQANCHMSA-N 2 1 347.547 3.189 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001160273683 1382057947 /nfs/dbraw/zinc/05/79/47/1382057947.db2.gz NDHCTCZABHQDHY-LJQANCHMSA-N 2 1 343.515 3.034 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)CC[C@H]2CCC[N@H+]2C)c1 ZINC001160273351 1382058602 /nfs/dbraw/zinc/05/86/02/1382058602.db2.gz KSMFPGPRSSCOHT-PKOBYXMFSA-N 2 1 331.504 3.026 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160359889 1382082852 /nfs/dbraw/zinc/08/28/52/1382082852.db2.gz FDQLGBIQMSQERQ-FQEVSTJZSA-N 2 1 347.547 3.354 20 0 EGADMP CC(C)=CC[N@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160359889 1382082857 /nfs/dbraw/zinc/08/28/57/1382082857.db2.gz FDQLGBIQMSQERQ-FQEVSTJZSA-N 2 1 347.547 3.354 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160359889 1382082859 /nfs/dbraw/zinc/08/28/59/1382082859.db2.gz FDQLGBIQMSQERQ-FQEVSTJZSA-N 2 1 347.547 3.354 20 0 EGADMP CC[C@H](C(=O)NCCC1=CC[N@@H+](C[C@@H](C)CC(C)C)CC1)[NH+](C)C ZINC001160479018 1382118310 /nfs/dbraw/zinc/11/83/10/1382118310.db2.gz JLFSRNFOTHMYIJ-PKOBYXMFSA-N 2 1 337.552 3.147 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)N(C)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001160696069 1382173448 /nfs/dbraw/zinc/17/34/48/1382173448.db2.gz UDJAANVFRDYSCU-QUCCMNQESA-N 2 1 345.531 3.308 20 0 EGADMP COc1ccc2cc[nH+]c(N[C@@H]3CC[NH2+]C[C@@H]3C(F)(F)F)c2c1 ZINC001160738142 1382182071 /nfs/dbraw/zinc/18/20/71/1382182071.db2.gz JMMCFEARCZTRKL-UONOGXRCSA-N 2 1 325.334 3.196 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160788046 1382195746 /nfs/dbraw/zinc/19/57/46/1382195746.db2.gz WRNFKJVOHGUTNK-XLIONFOSSA-N 2 1 347.547 3.045 20 0 EGADMP CC[N@H+]1CCCC[C@H]1c1ccc(-n2cc(CC[NH3+])c3c[nH+]ccc32)nc1 ZINC001160952361 1382248931 /nfs/dbraw/zinc/24/89/31/1382248931.db2.gz XJKRIBXUZZOXKC-IBGZPJMESA-N 3 1 349.482 3.469 20 0 EGADMP CC[N@@H+]1CCCC[C@H]1c1ccc(-n2cc(CC[NH3+])c3cnccc32)nc1 ZINC001160952361 1382248933 /nfs/dbraw/zinc/24/89/33/1382248933.db2.gz XJKRIBXUZZOXKC-IBGZPJMESA-N 2 1 349.482 3.469 20 0 EGADMP CC[N@H+]1CCCC[C@H]1c1ccc(-n2cc(CC[NH3+])c3cnccc32)nc1 ZINC001160952361 1382248937 /nfs/dbraw/zinc/24/89/37/1382248937.db2.gz XJKRIBXUZZOXKC-IBGZPJMESA-N 2 1 349.482 3.469 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001160985806 1382261302 /nfs/dbraw/zinc/26/13/02/1382261302.db2.gz JTQPFMMWFKPFLE-IBGZPJMESA-N 2 1 335.536 3.047 20 0 EGADMP CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001160985806 1382261306 /nfs/dbraw/zinc/26/13/06/1382261306.db2.gz JTQPFMMWFKPFLE-IBGZPJMESA-N 2 1 335.536 3.047 20 0 EGADMP CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001160985806 1382261309 /nfs/dbraw/zinc/26/13/09/1382261309.db2.gz JTQPFMMWFKPFLE-IBGZPJMESA-N 2 1 335.536 3.047 20 0 EGADMP CC(C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001160990539 1382263004 /nfs/dbraw/zinc/26/30/04/1382263004.db2.gz CCVOIYWSHWJHBX-FQEVSTJZSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001160990539 1382263007 /nfs/dbraw/zinc/26/30/07/1382263007.db2.gz CCVOIYWSHWJHBX-FQEVSTJZSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001160990539 1382263010 /nfs/dbraw/zinc/26/30/10/1382263010.db2.gz CCVOIYWSHWJHBX-FQEVSTJZSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001161042161 1382279782 /nfs/dbraw/zinc/27/97/82/1382279782.db2.gz PDGXQIOWPHRWFL-PXNSSMCTSA-N 2 1 345.531 3.451 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161101905 1382297999 /nfs/dbraw/zinc/29/79/99/1382297999.db2.gz PLBQHUMXJNTXQM-WAYWQWQTSA-N 2 1 347.547 3.213 20 0 EGADMP CN(C)c1cccc(N[C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)[nH+]1 ZINC001161183370 1382330017 /nfs/dbraw/zinc/33/00/17/1382330017.db2.gz WEKZMFBNKQAMSL-INIZCTEOSA-N 2 1 330.863 3.487 20 0 EGADMP CN(C)c1cccc(N[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)[nH+]1 ZINC001161183370 1382330022 /nfs/dbraw/zinc/33/00/22/1382330022.db2.gz WEKZMFBNKQAMSL-INIZCTEOSA-N 2 1 330.863 3.487 20 0 EGADMP CC(C)=CC[NH+]1CC=C(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001161220105 1382346142 /nfs/dbraw/zinc/34/61/42/1382346142.db2.gz UJNOHGVAKAQJTI-UHFFFAOYSA-N 2 1 335.536 3.069 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001161220195 1382346567 /nfs/dbraw/zinc/34/65/67/1382346567.db2.gz YMMQKPBCAPMCQP-OALUTQOASA-N 2 1 349.563 3.149 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161390813 1382396331 /nfs/dbraw/zinc/39/63/31/1382396331.db2.gz KKOKAUXDFNSJOB-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC1=CC[NH+](CCCC)CC1 ZINC001161496931 1382423804 /nfs/dbraw/zinc/42/38/04/1382423804.db2.gz KYBDSOLLNJPWDQ-UHFFFAOYSA-N 2 1 337.552 3.437 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NCCC1=CC[N@H+](CCCC)CC1 ZINC001161496931 1382423805 /nfs/dbraw/zinc/42/38/05/1382423805.db2.gz KYBDSOLLNJPWDQ-UHFFFAOYSA-N 2 1 337.552 3.437 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NCCC1=CC[N@@H+](CCCC)CC1 ZINC001161496931 1382423808 /nfs/dbraw/zinc/42/38/08/1382423808.db2.gz KYBDSOLLNJPWDQ-UHFFFAOYSA-N 2 1 337.552 3.437 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](CC2CCCCCC2)CC1 ZINC001161645968 1382469169 /nfs/dbraw/zinc/46/91/69/1382469169.db2.gz WLFUYKFOKLZDCA-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@H+](CC2CCCCCC2)CC1 ZINC001161645968 1382469170 /nfs/dbraw/zinc/46/91/70/1382469170.db2.gz WLFUYKFOKLZDCA-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CC2CCCCCC2)CC1 ZINC001161645968 1382469172 /nfs/dbraw/zinc/46/91/72/1382469172.db2.gz WLFUYKFOKLZDCA-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001161649574 1382470261 /nfs/dbraw/zinc/47/02/61/1382470261.db2.gz NINWNZHJUPLTCM-LJQANCHMSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001161649355 1382470553 /nfs/dbraw/zinc/47/05/53/1382470553.db2.gz DHKQZFNIFWUMQG-IBGZPJMESA-N 2 1 337.552 3.173 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161925018 1382555819 /nfs/dbraw/zinc/55/58/19/1382555819.db2.gz UFUNUMRUJYGELU-HDICACEKSA-N 2 1 335.536 3.188 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161925018 1382555823 /nfs/dbraw/zinc/55/58/23/1382555823.db2.gz UFUNUMRUJYGELU-HDICACEKSA-N 2 1 335.536 3.188 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161925018 1382555827 /nfs/dbraw/zinc/55/58/27/1382555827.db2.gz UFUNUMRUJYGELU-HDICACEKSA-N 2 1 335.536 3.188 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161930594 1382557583 /nfs/dbraw/zinc/55/75/83/1382557583.db2.gz CLGVUXWSYCDUCM-SFHVURJKSA-N 2 1 335.536 3.047 20 0 EGADMP CCc1cc(NC2(c3cccc(OC)c3)CC[NH2+]CC2)nc(C)[nH+]1 ZINC001161996588 1382594113 /nfs/dbraw/zinc/59/41/13/1382594113.db2.gz NQFYWALARHJXDV-UHFFFAOYSA-N 2 1 326.444 3.047 20 0 EGADMP COc1ccc(C)[nH+]c1NCCCP(CCC[NH3+])c1ccccc1 ZINC001162467002 1382766370 /nfs/dbraw/zinc/76/63/70/1382766370.db2.gz LYMZJWGNOSYVGP-UHFFFAOYSA-N 2 1 345.427 3.357 20 0 EGADMP C[N@@H+](CCC(=O)NCCC[NH2+]CC1CC(C)(C)C1)C1CCCCC1 ZINC001163275210 1383010714 /nfs/dbraw/zinc/01/07/14/1383010714.db2.gz UGYRSZHUIBCJCO-UHFFFAOYSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1cccc2cc[nH+]c(N[C@@H](CCCC[NH3+])C(=O)N3CCCC3)c12 ZINC001163456939 1383055437 /nfs/dbraw/zinc/05/54/37/1383055437.db2.gz DBLFYOSKXVTITK-KRWDZBQOSA-N 2 1 340.471 3.075 20 0 EGADMP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@H]([NH3+])C2)nc1 ZINC001164326356 1383177965 /nfs/dbraw/zinc/17/79/65/1383177965.db2.gz DGLUKBMNPBJONS-JKSUJKDBSA-N 2 1 338.446 3.191 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@H]([NH3+])C2)nc1 ZINC001164326356 1383177966 /nfs/dbraw/zinc/17/79/66/1383177966.db2.gz DGLUKBMNPBJONS-JKSUJKDBSA-N 2 1 338.446 3.191 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001164508667 1383194802 /nfs/dbraw/zinc/19/48/02/1383194802.db2.gz IADZHVJEBVTKRI-IBGZPJMESA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001164514845 1383195321 /nfs/dbraw/zinc/19/53/21/1383195321.db2.gz UIWIDWSYRCBNHU-LJQANCHMSA-N 2 1 347.547 3.236 20 0 EGADMP Cc1cnc(N(C)[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)c(C[NH3+])c1 ZINC001165182052 1383242920 /nfs/dbraw/zinc/24/29/20/1383242920.db2.gz LLBNSTHXXIYLCG-YLJYHZDGSA-N 2 1 338.499 3.196 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001165331701 1383274763 /nfs/dbraw/zinc/27/47/63/1383274763.db2.gz AFBICNMJNYJHPP-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001165332347 1383275478 /nfs/dbraw/zinc/27/54/78/1383275478.db2.gz IGCPKKDIJGNTES-GOSISDBHSA-N 2 1 349.563 3.173 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001166750293 1383471252 /nfs/dbraw/zinc/47/12/52/1383471252.db2.gz CASSOAKPWWEEPS-GOSISDBHSA-N 2 1 347.547 3.438 20 0 EGADMP CC(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001166801874 1383479399 /nfs/dbraw/zinc/47/93/99/1383479399.db2.gz CNAJKTQADZLJNZ-IBGZPJMESA-N 2 1 349.563 3.316 20 0 EGADMP CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2[nH+]c(C)cc3[nH]ccc32)C1 ZINC001166876340 1383491926 /nfs/dbraw/zinc/49/19/26/1383491926.db2.gz MOIGHNWKTCBFCI-LBPRGKRZSA-N 2 1 341.484 3.060 20 0 EGADMP c1ccc([C@@]23C[NH2+]C[C@@H]2CN(c2[nH+]ccc4c5c([nH]c42)CCC5)C3)cc1 ZINC001167208113 1383567131 /nfs/dbraw/zinc/56/71/31/1383567131.db2.gz PNPDCFQQNSLFSD-ZHRRBRCNSA-N 2 1 344.462 3.029 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001167225397 1383570020 /nfs/dbraw/zinc/57/00/20/1383570020.db2.gz UEEIRHWRQHMOJO-ROUUACIJSA-N 2 1 337.552 3.029 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001167458425 1383637520 /nfs/dbraw/zinc/63/75/20/1383637520.db2.gz FCOYLQUZLGASSI-PLNGDYQASA-N 2 1 346.519 3.204 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001167640767 1383696554 /nfs/dbraw/zinc/69/65/54/1383696554.db2.gz QYHPXBDAXSPYTE-MRXNPFEDSA-N 2 1 349.494 3.105 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001167811939 1383745986 /nfs/dbraw/zinc/74/59/86/1383745986.db2.gz CLVUDHOWCVEPKX-UHFFFAOYSA-N 2 1 337.552 3.175 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001167814870 1383747017 /nfs/dbraw/zinc/74/70/17/1383747017.db2.gz IFGYXPWQESRBHJ-UHFFFAOYSA-N 2 1 345.531 3.021 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001167823532 1383749251 /nfs/dbraw/zinc/74/92/51/1383749251.db2.gz DGWWHPPTRLNHKV-MKXGPGLRSA-N 2 1 349.563 3.124 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001167825836 1383749996 /nfs/dbraw/zinc/74/99/96/1383749996.db2.gz LIPCKSMBBJPVHQ-MRXNPFEDSA-N 2 1 330.520 3.265 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](Oc2cccc(OC)n2)C1 ZINC001167834118 1383753010 /nfs/dbraw/zinc/75/30/10/1383753010.db2.gz HOQGOSNEXZREHN-MSOLQXFVSA-N 2 1 349.519 3.444 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](Oc2ccc(OC)cn2)C1 ZINC001167833908 1383753573 /nfs/dbraw/zinc/75/35/73/1383753573.db2.gz FQSSMMTZKUEVNY-PKOBYXMFSA-N 2 1 349.519 3.444 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC001167841102 1383756944 /nfs/dbraw/zinc/75/69/44/1383756944.db2.gz KEAJDSQNABYEHZ-APWZRJJASA-N 2 1 332.488 3.269 20 0 EGADMP COc1cccc(OCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167963642 1383780201 /nfs/dbraw/zinc/78/02/01/1383780201.db2.gz AMCRVMKPZMEJGH-YQQQUEKLSA-N 2 1 344.499 3.459 20 0 EGADMP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccc(N)n1 ZINC001167982008 1383787084 /nfs/dbraw/zinc/78/70/84/1383787084.db2.gz SPQYOWHJISKRNQ-KVMCETHSSA-N 2 1 328.504 3.356 20 0 EGADMP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc(N)n1 ZINC001167982008 1383787085 /nfs/dbraw/zinc/78/70/85/1383787085.db2.gz SPQYOWHJISKRNQ-KVMCETHSSA-N 2 1 328.504 3.356 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009319 1383795703 /nfs/dbraw/zinc/79/57/03/1383795703.db2.gz ZXSNSMRYLMQOMN-RMFSNUHRSA-N 3 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168009319 1383795706 /nfs/dbraw/zinc/79/57/06/1383795706.db2.gz ZXSNSMRYLMQOMN-RMFSNUHRSA-N 2 1 329.532 3.359 20 0 EGADMP COC(=O)C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168011512 1383796989 /nfs/dbraw/zinc/79/69/89/1383796989.db2.gz OZZYMZMCYPRWRW-ALXJQNPVSA-N 2 1 332.488 3.217 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024210 1383799491 /nfs/dbraw/zinc/79/94/91/1383799491.db2.gz CJKACDXZHNXTBW-IZZQQSIFSA-N 2 1 345.531 3.322 20 0 EGADMP C[C@@H]1CC([N@H+]2CC[C@H](O)[C@@H](F)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039543 1383802402 /nfs/dbraw/zinc/80/24/02/1383802402.db2.gz GIEUYSONRSOPOG-YKCBXCCJSA-N 2 1 334.479 3.223 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168044629 1383804346 /nfs/dbraw/zinc/80/43/46/1383804346.db2.gz GILTWZSYOWBMAY-AKHDSKFASA-N 2 1 329.532 3.452 20 0 EGADMP Cc1[nH+]cc2n1CCN([C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168047909 1383804456 /nfs/dbraw/zinc/80/44/56/1383804456.db2.gz SVOVRGPLHDCSFA-XEMDLRDOSA-N 2 1 338.499 3.449 20 0 EGADMP Cc1[nH+]cc2n1CCN([C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168047909 1383804458 /nfs/dbraw/zinc/80/44/58/1383804458.db2.gz SVOVRGPLHDCSFA-XEMDLRDOSA-N 2 1 338.499 3.449 20 0 EGADMP COC(=O)C[C@@H]1CCC[N@@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168059934 1383807351 /nfs/dbraw/zinc/80/73/51/1383807351.db2.gz HMFBCXUTHKXLLU-LMMKCTJWSA-N 2 1 344.499 3.456 20 0 EGADMP COC(=O)C[C@@H]1CCC[N@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168059934 1383807357 /nfs/dbraw/zinc/80/73/57/1383807357.db2.gz HMFBCXUTHKXLLU-LMMKCTJWSA-N 2 1 344.499 3.456 20 0 EGADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168066497 1383809302 /nfs/dbraw/zinc/80/93/02/1383809302.db2.gz PDSBDILXEJDNEE-USNOLKROSA-N 2 1 327.516 3.206 20 0 EGADMP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+]([C@H]1CCO[C@H](C)C1)CC2 ZINC001168113771 1383820312 /nfs/dbraw/zinc/82/03/12/1383820312.db2.gz HUJQZVXIIRFUSZ-QAPCUYQASA-N 2 1 347.503 3.289 20 0 EGADMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+]([C@H]1CCO[C@H](C)C1)CC2 ZINC001168113771 1383820315 /nfs/dbraw/zinc/82/03/15/1383820315.db2.gz HUJQZVXIIRFUSZ-QAPCUYQASA-N 2 1 347.503 3.289 20 0 EGADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CCO1 ZINC001168142446 1383826049 /nfs/dbraw/zinc/82/60/49/1383826049.db2.gz CTKRSTFCUBDQIM-AYWYSENESA-N 2 1 328.500 3.398 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CCO1 ZINC001168142446 1383826051 /nfs/dbraw/zinc/82/60/51/1383826051.db2.gz CTKRSTFCUBDQIM-AYWYSENESA-N 2 1 328.500 3.398 20 0 EGADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CCO1 ZINC001168142446 1383826055 /nfs/dbraw/zinc/82/60/55/1383826055.db2.gz CTKRSTFCUBDQIM-AYWYSENESA-N 2 1 328.500 3.398 20 0 EGADMP CCCCCC[NH2+]CC1(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168297821 1383866686 /nfs/dbraw/zinc/86/66/86/1383866686.db2.gz YFRGBNGIEMRNOI-HDICACEKSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2C2CCC([NH+](C)C)CC2)O1 ZINC001168322662 1383872386 /nfs/dbraw/zinc/87/23/86/1383872386.db2.gz VBAZRIUVSZEPDH-WFAGLZIHSA-N 2 1 338.536 3.154 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)CC1 ZINC001168321696 1383872475 /nfs/dbraw/zinc/87/24/75/1383872475.db2.gz KLOQGJZYBFPHJS-RJYAGPCLSA-N 2 1 347.528 3.050 20 0 EGADMP CN(C[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1)C(=O)OC(C)(C)C ZINC001168326690 1383873034 /nfs/dbraw/zinc/87/30/34/1383873034.db2.gz DKTMWLVPUPGUPO-KLAILNCOSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168329184 1383873875 /nfs/dbraw/zinc/87/38/75/1383873875.db2.gz OVVBUXLLGBUTGK-ZGRYLRDCSA-N 2 1 339.524 3.237 20 0 EGADMP C[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC001168329395 1383874129 /nfs/dbraw/zinc/87/41/29/1383874129.db2.gz RUAHGNWMBZQGHI-GTPINHCMSA-N 2 1 339.524 3.191 20 0 EGADMP COc1ccccc1OC1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168387583 1383891904 /nfs/dbraw/zinc/89/19/04/1383891904.db2.gz LMMCTFIUKOHQEY-UHFFFAOYSA-N 2 1 344.499 3.413 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC001306846803 1383910235 /nfs/dbraw/zinc/91/02/35/1383910235.db2.gz ZHEGYEZQFSZDEA-IBGZPJMESA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001306846803 1383910239 /nfs/dbraw/zinc/91/02/39/1383910239.db2.gz ZHEGYEZQFSZDEA-IBGZPJMESA-N 2 1 343.515 3.032 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001306846803 1383910243 /nfs/dbraw/zinc/91/02/43/1383910243.db2.gz ZHEGYEZQFSZDEA-IBGZPJMESA-N 2 1 343.515 3.032 20 0 EGADMP COc1ccc([C@@H]2C[C@H]([NH2+]CC[C@@H]3CCC[N@@H+](C)C3)CCO2)cc1 ZINC001168591182 1383943654 /nfs/dbraw/zinc/94/36/54/1383943654.db2.gz UDLUZZYTWQOEJP-HQRMLTQVSA-N 2 1 332.488 3.237 20 0 EGADMP COc1ccc([C@@H]2C[C@@H]([NH+]3CCC([N@@H+](C)C4CC4)CC3)CCO2)cc1 ZINC001168665368 1383963791 /nfs/dbraw/zinc/96/37/91/1383963791.db2.gz PNWHMLPUTPFJRE-FPOVZHCZSA-N 2 1 344.499 3.474 20 0 EGADMP CC(C)[N@@H+]([C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168832172 1384024589 /nfs/dbraw/zinc/02/45/89/1384024589.db2.gz CWJMHKMLRJPCQB-LUKYLMHMSA-N 2 1 339.524 3.365 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C2 ZINC001169094946 1384106151 /nfs/dbraw/zinc/10/61/51/1384106151.db2.gz NVPOBGRBSXOSTI-YQLLOFTFSA-N 2 1 337.508 3.037 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3ccc(F)cc3c3c1C[C@@H]([NH3+])CC3)C2 ZINC001169109422 1384108537 /nfs/dbraw/zinc/10/85/37/1384108537.db2.gz IFVQSXZNTFSAGD-JONQDZQNSA-N 2 1 327.447 3.394 20 0 EGADMP COc1ccccc1CC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCOCC1 ZINC001169109579 1384108684 /nfs/dbraw/zinc/10/86/84/1384108684.db2.gz DVPXJHUKQDUYGM-LDLYASANSA-N 2 1 344.499 3.002 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(Cc3ccccc3F)CCOCC1)C2 ZINC001169120183 1384109709 /nfs/dbraw/zinc/10/97/09/1384109709.db2.gz ZFAIUJZUVWTAFI-BCDXTJNWSA-N 2 1 332.463 3.132 20 0 EGADMP CN(C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126864 1384111113 /nfs/dbraw/zinc/11/11/13/1384111113.db2.gz YEUPJAQCWMRJKU-WKCHPHFGSA-N 2 1 327.516 3.208 20 0 EGADMP C[N@H+](C1CCN(Cc2ccccc2)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126864 1384111115 /nfs/dbraw/zinc/11/11/15/1384111115.db2.gz YEUPJAQCWMRJKU-WKCHPHFGSA-N 2 1 327.516 3.208 20 0 EGADMP C[N@@H+](C1CCN(Cc2ccccc2)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126864 1384111118 /nfs/dbraw/zinc/11/11/18/1384111118.db2.gz YEUPJAQCWMRJKU-WKCHPHFGSA-N 2 1 327.516 3.208 20 0 EGADMP C[NH+](C1CCN(Cc2ccccc2)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126864 1384111120 /nfs/dbraw/zinc/11/11/20/1384111120.db2.gz YEUPJAQCWMRJKU-WKCHPHFGSA-N 2 1 327.516 3.208 20 0 EGADMP C[NH+](C1CCN(Cc2ccccc2)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126864 1384111123 /nfs/dbraw/zinc/11/11/23/1384111123.db2.gz YEUPJAQCWMRJKU-WKCHPHFGSA-N 2 1 327.516 3.208 20 0 EGADMP C[C@@H](CCc1ccccc1)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC001308250313 1384112964 /nfs/dbraw/zinc/11/29/64/1384112964.db2.gz CYILPSXONZSFEG-IBGZPJMESA-N 2 1 330.516 3.490 20 0 EGADMP COc1ccccc1OCC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169152195 1384115884 /nfs/dbraw/zinc/11/58/84/1384115884.db2.gz AHNQSGGIEBLIFQ-BWTSREIZSA-N 2 1 344.499 3.411 20 0 EGADMP CCc1nn(C)cc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001308283384 1384116289 /nfs/dbraw/zinc/11/62/89/1384116289.db2.gz XAVBOGXLJVWLRH-RDTXWAMCSA-N 2 1 332.517 3.217 20 0 EGADMP CCc1nn(C)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001308283384 1384116291 /nfs/dbraw/zinc/11/62/91/1384116291.db2.gz XAVBOGXLJVWLRH-RDTXWAMCSA-N 2 1 332.517 3.217 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+]([C@@H]3CCCc4ccccc43)CC1)C2 ZINC001169156423 1384116922 /nfs/dbraw/zinc/11/69/22/1384116922.db2.gz YDQFOQPZHHOARA-FCIYXJNOSA-N 2 1 339.527 3.307 20 0 EGADMP CCOC(=O)CCC[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160359 1384117710 /nfs/dbraw/zinc/11/77/10/1384117710.db2.gz DALGDNRWYVAZFK-PMOLBWCYSA-N 2 1 344.499 3.457 20 0 EGADMP CCOC(=O)CCC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169160359 1384117712 /nfs/dbraw/zinc/11/77/12/1384117712.db2.gz DALGDNRWYVAZFK-PMOLBWCYSA-N 2 1 344.499 3.457 20 0 EGADMP CCOC(=O)CCC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169160359 1384117714 /nfs/dbraw/zinc/11/77/14/1384117714.db2.gz DALGDNRWYVAZFK-PMOLBWCYSA-N 2 1 344.499 3.457 20 0 EGADMP C[C@H](c1nccc2ccccc21)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001308628822 1384137531 /nfs/dbraw/zinc/13/75/31/1384137531.db2.gz WCULYJLPQPYDLW-MJGOQNOKSA-N 2 1 338.499 3.008 20 0 EGADMP C[C@H](c1nccc2ccccc21)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001308628822 1384137533 /nfs/dbraw/zinc/13/75/33/1384137533.db2.gz WCULYJLPQPYDLW-MJGOQNOKSA-N 2 1 338.499 3.008 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001308745335 1384146918 /nfs/dbraw/zinc/14/69/18/1384146918.db2.gz VLZHNDSMFGHTTA-LJQANCHMSA-N 2 1 341.540 3.297 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc4c3OC(F)(F)O4)C2)CC1 ZINC001308744369 1384147019 /nfs/dbraw/zinc/14/70/19/1384147019.db2.gz USESOHMULKOTHG-AWEZNQCLSA-N 2 1 338.398 3.172 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169453071 1384149649 /nfs/dbraw/zinc/14/96/49/1384149649.db2.gz UBNTUQZWFQUWIZ-ULQDDVLXSA-N 2 1 325.541 3.251 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2nonc2c1 ZINC001308897944 1384157563 /nfs/dbraw/zinc/15/75/63/1384157563.db2.gz QZGTWQCPUQOQSK-CRAIPNDOSA-N 2 1 336.439 3.081 20 0 EGADMP CC(=O)N1CCC[C@H]([N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169593278 1384163289 /nfs/dbraw/zinc/16/32/89/1384163289.db2.gz DYHXKVXYLLZVPA-ACRUOGEOSA-N 2 1 343.515 3.078 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC001169733724 1384180620 /nfs/dbraw/zinc/18/06/20/1384180620.db2.gz OFPDYQONSWQNIX-KRWDZBQOSA-N 2 1 341.540 3.345 20 0 EGADMP CC[N@@H+]1CC=C(c2cnc(NCC34CC[NH+](CC3)CC4)c(C)c2)CC1 ZINC001169794423 1384186664 /nfs/dbraw/zinc/18/66/64/1384186664.db2.gz MTBCQUXPIWQHQX-UHFFFAOYSA-N 2 1 340.515 3.397 20 0 EGADMP C[C@H](CCCC[NH2+]C/C=C/c1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169797914 1384186970 /nfs/dbraw/zinc/18/69/70/1384186970.db2.gz KWRWYGLNMRWAMZ-XEFROOKYSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@H](CCCC[NH2+]C/C=C\c1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169797912 1384187075 /nfs/dbraw/zinc/18/70/75/1384187075.db2.gz KWRWYGLNMRWAMZ-FLXMXVCVSA-N 2 1 343.515 3.059 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169799946 1384187468 /nfs/dbraw/zinc/18/74/68/1384187468.db2.gz YSHFEZSINSUIJZ-UYAOXDASSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)[C@H](Nc1[nH+]cccc1N1CC[NH2+]CC1)c1ccc(F)cc1 ZINC001170062870 1384226949 /nfs/dbraw/zinc/22/69/49/1384226949.db2.gz DXOYXKXZRCLUAH-SFHVURJKSA-N 2 1 328.435 3.440 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC001170072328 1384229297 /nfs/dbraw/zinc/22/92/97/1384229297.db2.gz JRENIETXZXYUNB-UYAOXDASSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC001170072328 1384229300 /nfs/dbraw/zinc/22/93/00/1384229300.db2.gz JRENIETXZXYUNB-UYAOXDASSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC001170072326 1384229353 /nfs/dbraw/zinc/22/93/53/1384229353.db2.gz JRENIETXZXYUNB-ICSRJNTNSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC001170072326 1384229357 /nfs/dbraw/zinc/22/93/57/1384229357.db2.gz JRENIETXZXYUNB-ICSRJNTNSA-N 2 1 343.515 3.012 20 0 EGADMP Cc1nc(-n2ccnc2)cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)[nH+]1 ZINC001170449923 1384321710 /nfs/dbraw/zinc/32/17/10/1384321710.db2.gz BBPXEMREYIDVSU-UHFFFAOYSA-N 2 1 328.464 3.034 20 0 EGADMP CCCCCC[C@@H](CC)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001170599408 1384348009 /nfs/dbraw/zinc/34/80/09/1384348009.db2.gz NTSZSMLDSQKHED-ZRNYENFQSA-N 2 1 347.551 3.422 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001170752045 1384378997 /nfs/dbraw/zinc/37/89/97/1384378997.db2.gz WTIYSRXNSIJBHV-HKUYNNGSSA-N 2 1 337.552 3.314 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(C)c1 ZINC001170785685 1384385222 /nfs/dbraw/zinc/38/52/22/1384385222.db2.gz UPXRGINDMVBPRG-HXUWFJFHSA-N 2 1 345.531 3.246 20 0 EGADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170795293 1384387030 /nfs/dbraw/zinc/38/70/30/1384387030.db2.gz JWKNKBSRUORANQ-MSOLQXFVSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861690 1384400705 /nfs/dbraw/zinc/40/07/05/1384400705.db2.gz GDSJPEBEVTVWQR-KZNAEPCWSA-N 2 1 325.541 3.027 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH2+]CCCC(C)C)c1ccccc1 ZINC001170867431 1384401583 /nfs/dbraw/zinc/40/15/83/1384401583.db2.gz ILAGLIMKNXXBMH-LJQANCHMSA-N 2 1 333.520 3.212 20 0 EGADMP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@H]1CCc3cc(Cl)ccc3C1)CC2 ZINC001171119484 1384449277 /nfs/dbraw/zinc/44/92/77/1384449277.db2.gz ADVOGECGPPHTEP-KRWDZBQOSA-N 2 1 347.890 3.327 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC2CCC2)C1 ZINC001171236131 1384476517 /nfs/dbraw/zinc/47/65/17/1384476517.db2.gz LHJXWNKAZKDINH-IEBWSBKVSA-N 2 1 337.552 3.029 20 0 EGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171330308 1384496104 /nfs/dbraw/zinc/49/61/04/1384496104.db2.gz SNELGAPURSMYPZ-QZTJIDSGSA-N 2 1 325.541 3.316 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171542395 1384558022 /nfs/dbraw/zinc/55/80/22/1384558022.db2.gz QAMHDDIMRSJEGD-AWEZNQCLSA-N 2 1 326.406 3.235 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CC1CC(F)(F)C1 ZINC001171585960 1384572449 /nfs/dbraw/zinc/57/24/49/1384572449.db2.gz GHIUMIBQTZHWEP-AWEZNQCLSA-N 2 1 347.494 3.027 20 0 EGADMP CCN(CC)C(=O)[C@@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171628881 1384585352 /nfs/dbraw/zinc/58/53/52/1384585352.db2.gz LEGUIANJDMHJJK-MRXNPFEDSA-N 2 1 337.552 3.218 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001171726209 1384614405 /nfs/dbraw/zinc/61/44/05/1384614405.db2.gz YLVZYAUZVMCUPR-UHFFFAOYSA-N 2 1 345.531 3.282 20 0 EGADMP C[C@H]1C[C@@H](N(C(N)=[NH2+])c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC001171727464 1384615752 /nfs/dbraw/zinc/61/57/52/1384615752.db2.gz CTPRQFRSNYLLMI-KBXCAEBGSA-N 2 1 326.419 3.189 20 0 EGADMP C[C@@H]1C[C@H](n2nc(CC[NH3+])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001171733499 1384619358 /nfs/dbraw/zinc/61/93/58/1384619358.db2.gz UFGMENNNUUDPOI-AEFFLSMTSA-N 2 1 334.467 3.373 20 0 EGADMP C[C@H]1C[C@@H](N2CC[NH+](C)CC23CCCC3)C[N@H+]1Cc1ccccc1 ZINC001171767543 1384629995 /nfs/dbraw/zinc/62/99/95/1384629995.db2.gz PAUDEAYFKGRAQD-AZUAARDMSA-N 2 1 327.516 3.210 20 0 EGADMP C[C@H]1C[C@@H](N2CC[N@H+](C)CC23CCCC3)C[NH+]1Cc1ccccc1 ZINC001171767543 1384629997 /nfs/dbraw/zinc/62/99/97/1384629997.db2.gz PAUDEAYFKGRAQD-AZUAARDMSA-N 2 1 327.516 3.210 20 0 EGADMP C[C@H]1C[C@@H](N2CC[N@@H+](C)CC23CCCC3)C[NH+]1Cc1ccccc1 ZINC001171767543 1384630000 /nfs/dbraw/zinc/63/00/00/1384630000.db2.gz PAUDEAYFKGRAQD-AZUAARDMSA-N 2 1 327.516 3.210 20 0 EGADMP CC(=O)N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171961644 1384696665 /nfs/dbraw/zinc/69/66/65/1384696665.db2.gz ACWZFWWQUCZCQP-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP COC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963909 1384697421 /nfs/dbraw/zinc/69/74/21/1384697421.db2.gz FUGJIOXCOIJFJF-QGZVFWFLSA-N 2 1 332.488 3.218 20 0 EGADMP CC1(C)C[C@@H]([NH2+]CCN2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC001171971371 1384699773 /nfs/dbraw/zinc/69/97/73/1384699773.db2.gz HIBHKNZMDBVLEE-IBGZPJMESA-N 2 1 347.572 3.068 20 0 EGADMP COCCN(CCOC)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976078 1384700237 /nfs/dbraw/zinc/70/02/37/1384700237.db2.gz HYGYQOIOLATRFH-IBGZPJMESA-N 2 1 334.504 3.024 20 0 EGADMP COCC[NH+](CCOC)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976078 1384700244 /nfs/dbraw/zinc/70/02/44/1384700244.db2.gz HYGYQOIOLATRFH-IBGZPJMESA-N 2 1 334.504 3.024 20 0 EGADMP CC1(C)C[C@H]([NH2+]CCN2CCC[C@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171974572 1384700835 /nfs/dbraw/zinc/70/08/35/1384700835.db2.gz HPCBTUJTIHYVOY-VQTJNVASSA-N 2 1 347.522 3.453 20 0 EGADMP CC1(C)C[C@H]([NH+]2CC[C@@H](F)[C@@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977903 1384701907 /nfs/dbraw/zinc/70/19/07/1384701907.db2.gz USGRJQYOTPEMQY-QRVBRYPASA-N 2 1 334.479 3.224 20 0 EGADMP CC1(C)C[C@H]([N@H+]2CC[C@@H](F)[C@@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977903 1384701908 /nfs/dbraw/zinc/70/19/08/1384701908.db2.gz USGRJQYOTPEMQY-QRVBRYPASA-N 2 1 334.479 3.224 20 0 EGADMP CC1(C)C[C@H]([N@@H+]2CC[C@@H](F)[C@@H](O)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977903 1384701911 /nfs/dbraw/zinc/70/19/11/1384701911.db2.gz USGRJQYOTPEMQY-QRVBRYPASA-N 2 1 334.479 3.224 20 0 EGADMP CC1(C)C[C@H]([NH+]2CC[C@H](O)[C@@H](F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977906 1384702770 /nfs/dbraw/zinc/70/27/70/1384702770.db2.gz USGRJQYOTPEMQY-QYZOEREBSA-N 2 1 334.479 3.224 20 0 EGADMP CC1(C)C[C@H]([N@@H+]2CC[C@H](O)[C@@H](F)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977906 1384702773 /nfs/dbraw/zinc/70/27/73/1384702773.db2.gz USGRJQYOTPEMQY-QYZOEREBSA-N 2 1 334.479 3.224 20 0 EGADMP CC1(C)C[C@H]([N@H+]2CC[C@H](O)[C@@H](F)CC2)CC[NH+]1Cc1ccccc1 ZINC001171977906 1384702776 /nfs/dbraw/zinc/70/27/76/1384702776.db2.gz USGRJQYOTPEMQY-QYZOEREBSA-N 2 1 334.479 3.224 20 0 EGADMP CN1CCC[C@@H]2C[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171985860 1384703122 /nfs/dbraw/zinc/70/31/22/1384703122.db2.gz CKRABAWVDXKMTQ-QHAWAJNXSA-N 2 1 341.543 3.456 20 0 EGADMP CN1CCC[C@@H]2C[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171985860 1384703126 /nfs/dbraw/zinc/70/31/26/1384703126.db2.gz CKRABAWVDXKMTQ-QHAWAJNXSA-N 2 1 341.543 3.456 20 0 EGADMP CN1CCC[C@@H]2C[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171985860 1384703130 /nfs/dbraw/zinc/70/31/30/1384703130.db2.gz CKRABAWVDXKMTQ-QHAWAJNXSA-N 2 1 341.543 3.456 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C1CC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC001316935921 1384707087 /nfs/dbraw/zinc/70/70/87/1384707087.db2.gz SQZDPRSFQKVBOB-HXUWFJFHSA-N 2 1 345.531 3.402 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2(C[NH3+])CC2)CC12CCCCC2 ZINC001172055261 1384713864 /nfs/dbraw/zinc/71/38/64/1384713864.db2.gz GMRMJQBWUHNSCR-OAHLLOKOSA-N 2 1 337.508 3.170 20 0 EGADMP c1cn(CCC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172068018 1384715679 /nfs/dbraw/zinc/71/56/79/1384715679.db2.gz PMPAKKPJHYGKOB-MZADTFQBSA-N 2 1 338.499 3.449 20 0 EGADMP CCOC(=O)CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069393 1384718599 /nfs/dbraw/zinc/71/85/99/1384718599.db2.gz UFASRHUNSKGNHN-LDLYASANSA-N 2 1 330.472 3.115 20 0 EGADMP Cn1cc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172074062 1384719961 /nfs/dbraw/zinc/71/99/61/1384719961.db2.gz TXBIOGSJIUUQDD-MZADTFQBSA-N 2 1 338.499 3.138 20 0 EGADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172081495 1384722198 /nfs/dbraw/zinc/72/21/98/1384722198.db2.gz XLYBKWJYKQMISU-ZSHCYNCHSA-N 2 1 348.491 3.186 20 0 EGADMP OC1CC2(C1)C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001172080412 1384722650 /nfs/dbraw/zinc/72/26/50/1384722650.db2.gz VNLZBRUCWQZYLY-REPLKXPHSA-N 2 1 326.484 3.029 20 0 EGADMP OC1CC2(C1)C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001172080412 1384722651 /nfs/dbraw/zinc/72/26/51/1384722651.db2.gz VNLZBRUCWQZYLY-REPLKXPHSA-N 2 1 326.484 3.029 20 0 EGADMP OC[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172080359 1384722842 /nfs/dbraw/zinc/72/28/42/1384722842.db2.gz ULWWQFNJKRUUFH-BURNTYAHSA-N 2 1 328.500 3.276 20 0 EGADMP OC[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172080359 1384722844 /nfs/dbraw/zinc/72/28/44/1384722844.db2.gz ULWWQFNJKRUUFH-BURNTYAHSA-N 2 1 328.500 3.276 20 0 EGADMP OC[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172080359 1384722845 /nfs/dbraw/zinc/72/28/45/1384722845.db2.gz ULWWQFNJKRUUFH-BURNTYAHSA-N 2 1 328.500 3.276 20 0 EGADMP OC[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172080359 1384722849 /nfs/dbraw/zinc/72/28/49/1384722849.db2.gz ULWWQFNJKRUUFH-BURNTYAHSA-N 2 1 328.500 3.276 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ncc1Br ZINC001172106279 1384728402 /nfs/dbraw/zinc/72/84/02/1384728402.db2.gz OSEUTOQJBRQEPX-XMQYKBBCSA-N 2 1 338.293 3.257 20 0 EGADMP Cc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ncc1Br ZINC001172106279 1384728398 /nfs/dbraw/zinc/72/83/98/1384728398.db2.gz OSEUTOQJBRQEPX-XMQYKBBCSA-N 2 1 338.293 3.257 20 0 EGADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CCC2 ZINC001172112292 1384729773 /nfs/dbraw/zinc/72/97/73/1384729773.db2.gz UBKKZSAYNZBXJN-FTEYMNFISA-N 2 1 342.483 3.456 20 0 EGADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCC2 ZINC001172112292 1384729777 /nfs/dbraw/zinc/72/97/77/1384729777.db2.gz UBKKZSAYNZBXJN-FTEYMNFISA-N 2 1 342.483 3.456 20 0 EGADMP COCC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC(F)(F)CC1 ZINC001172109535 1384729933 /nfs/dbraw/zinc/72/99/33/1384729933.db2.gz DYSRDSBHKYRYRW-MUJYYYPQSA-N 2 1 330.463 3.433 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cn(Cc3ccc(F)cc3)cn1)C2 ZINC001172112486 1384729982 /nfs/dbraw/zinc/72/99/82/1384729982.db2.gz WKURSPMBAHNQTG-VJDPLVQDSA-N 2 1 342.462 3.175 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cn(Cc3ccc(F)cc3)cn1)C2 ZINC001172112486 1384729987 /nfs/dbraw/zinc/72/99/87/1384729987.db2.gz WKURSPMBAHNQTG-VJDPLVQDSA-N 2 1 342.462 3.175 20 0 EGADMP CC(C)[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)Nc1ccc(F)cc1 ZINC001172113470 1384731773 /nfs/dbraw/zinc/73/17/73/1384731773.db2.gz HKWQLWYIPWAJOT-OKYOBFRVSA-N 2 1 347.478 3.394 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1CC[NH+](C[C@@H]3CC=CCC3)CC1)C2 ZINC001172113568 1384731848 /nfs/dbraw/zinc/73/18/48/1384731848.db2.gz KMWUYYYXDKJPTP-AYWYSENESA-N 2 1 331.548 3.412 20 0 EGADMP COc1cc2c(cc1OC)C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172126256 1384735335 /nfs/dbraw/zinc/73/53/35/1384735335.db2.gz VMHHKUJIQYPHOT-PIIMJCKOSA-N 2 1 330.472 3.077 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(C(=O)OC(C)(C)C)C3(CC3)C1)C2 ZINC001172129040 1384737754 /nfs/dbraw/zinc/73/77/54/1384737754.db2.gz VPEZSNRDKADKLI-FVQHAEBGSA-N 2 1 349.519 3.087 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(C(=O)OC(C)(C)C)C3(CC3)C1)C2 ZINC001172129040 1384737759 /nfs/dbraw/zinc/73/77/59/1384737759.db2.gz VPEZSNRDKADKLI-FVQHAEBGSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCN(C(=O)OC(C)(C)C)C3(CC3)C1)C2 ZINC001172129040 1384737763 /nfs/dbraw/zinc/73/77/63/1384737763.db2.gz VPEZSNRDKADKLI-FVQHAEBGSA-N 2 1 349.519 3.087 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCN(C(=O)OC(C)(C)C)C3(CC3)C1)C2 ZINC001172129040 1384737766 /nfs/dbraw/zinc/73/77/66/1384737766.db2.gz VPEZSNRDKADKLI-FVQHAEBGSA-N 2 1 349.519 3.087 20 0 EGADMP COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129928 1384738293 /nfs/dbraw/zinc/73/82/93/1384738293.db2.gz MFQKEOPNGWADAK-FFGOWVMKSA-N 2 1 344.499 3.456 20 0 EGADMP COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129928 1384738294 /nfs/dbraw/zinc/73/82/94/1384738294.db2.gz MFQKEOPNGWADAK-FFGOWVMKSA-N 2 1 344.499 3.456 20 0 EGADMP COC(=O)C[C@H](C)[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129928 1384738296 /nfs/dbraw/zinc/73/82/96/1384738296.db2.gz MFQKEOPNGWADAK-FFGOWVMKSA-N 2 1 344.499 3.456 20 0 EGADMP COC(=O)C[C@H](C)[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129928 1384738300 /nfs/dbraw/zinc/73/83/00/1384738300.db2.gz MFQKEOPNGWADAK-FFGOWVMKSA-N 2 1 344.499 3.456 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)O5)C[C@@H]3C2)cc1 ZINC001172225528 1384751488 /nfs/dbraw/zinc/75/14/88/1384751488.db2.gz VMHXCVFJIVVBPL-YTDWZJOKSA-N 2 1 326.484 3.069 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)O5)C[C@@H]3C2)cc1 ZINC001172225528 1384751491 /nfs/dbraw/zinc/75/14/91/1384751491.db2.gz VMHXCVFJIVVBPL-YTDWZJOKSA-N 2 1 326.484 3.069 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](C4C[C@H]5CC[C@@H](C4)O5)C[C@@H]3C2)cc1 ZINC001172225528 1384751496 /nfs/dbraw/zinc/75/14/96/1384751496.db2.gz VMHXCVFJIVVBPL-YTDWZJOKSA-N 2 1 326.484 3.069 20 0 EGADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C4C[C@H]5CC[C@@H](C4)O5)C[C@@H]3C2)cc1 ZINC001172225528 1384751499 /nfs/dbraw/zinc/75/14/99/1384751499.db2.gz VMHXCVFJIVVBPL-YTDWZJOKSA-N 2 1 326.484 3.069 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H](Oc3ccccc3C)C2)CC1 ZINC001172255315 1384757159 /nfs/dbraw/zinc/75/71/59/1384757159.db2.gz NNRIUAXQUKVVEK-FQEVSTJZSA-N 2 1 346.515 3.339 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H](Oc3ccccc3C)C2)CC1 ZINC001172255315 1384757162 /nfs/dbraw/zinc/75/71/62/1384757162.db2.gz NNRIUAXQUKVVEK-FQEVSTJZSA-N 2 1 346.515 3.339 20 0 EGADMP CC[C@@H](CC(C)C)[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001172397171 1384784365 /nfs/dbraw/zinc/78/43/65/1384784365.db2.gz JNPUPXZVKGUZRC-QHAWAJNXSA-N 2 1 345.531 3.429 20 0 EGADMP CC[C@@H](CC(C)C)[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001172397171 1384784369 /nfs/dbraw/zinc/78/43/69/1384784369.db2.gz JNPUPXZVKGUZRC-QHAWAJNXSA-N 2 1 345.531 3.429 20 0 EGADMP CC[C@@H](CC(C)C)[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001172397171 1384784371 /nfs/dbraw/zinc/78/43/71/1384784371.db2.gz JNPUPXZVKGUZRC-QHAWAJNXSA-N 2 1 345.531 3.429 20 0 EGADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CC1 ZINC001172781070 1384850744 /nfs/dbraw/zinc/85/07/44/1384850744.db2.gz UVRONURHQIQTKT-HOTGVXAUSA-N 2 1 348.462 3.197 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172848479 1384865517 /nfs/dbraw/zinc/86/55/17/1384865517.db2.gz UKNMASOUDPZJHB-ZDUSSCGKSA-N 2 1 328.859 3.111 20 0 EGADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173055167 1384902820 /nfs/dbraw/zinc/90/28/20/1384902820.db2.gz RKUGXTVUOYSJPD-IRXDYDNUSA-N 2 1 341.540 3.486 20 0 EGADMP C[C@@H]1CC[C@H](n2c[nH+]cc2C2CC[NH2+]CC2)CN1C(=O)OC(C)(C)C ZINC001173073599 1384908027 /nfs/dbraw/zinc/90/80/27/1384908027.db2.gz DOMGEAYRQICLFI-ZBFHGGJFSA-N 2 1 348.491 3.311 20 0 EGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCc2ncsc2C1 ZINC001173144200 1384923248 /nfs/dbraw/zinc/92/32/48/1384923248.db2.gz SMXYBOXXIZCGOZ-ZWKOTPCHSA-N 2 1 341.524 3.454 20 0 EGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCc2ncsc2C1 ZINC001173144200 1384923250 /nfs/dbraw/zinc/92/32/50/1384923250.db2.gz SMXYBOXXIZCGOZ-ZWKOTPCHSA-N 2 1 341.524 3.454 20 0 EGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCc2ncsc2C1 ZINC001173144200 1384923252 /nfs/dbraw/zinc/92/32/52/1384923252.db2.gz SMXYBOXXIZCGOZ-ZWKOTPCHSA-N 2 1 341.524 3.454 20 0 EGADMP COc1cccc2c1C[C@@H]([N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+])CO2 ZINC001173165044 1384928170 /nfs/dbraw/zinc/92/81/70/1384928170.db2.gz RKENTQJKHZTMAP-FUHWJXTLSA-N 2 1 340.467 3.096 20 0 EGADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CCO1 ZINC001173173159 1384930790 /nfs/dbraw/zinc/93/07/90/1384930790.db2.gz MBJBAGXMHXWRMT-FFZBTMFNSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CCO1 ZINC001173173159 1384930795 /nfs/dbraw/zinc/93/07/95/1384930795.db2.gz MBJBAGXMHXWRMT-FFZBTMFNSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CCO1 ZINC001173173159 1384930798 /nfs/dbraw/zinc/93/07/98/1384930798.db2.gz MBJBAGXMHXWRMT-FFZBTMFNSA-N 2 1 343.515 3.181 20 0 EGADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CCO1 ZINC001173173159 1384930801 /nfs/dbraw/zinc/93/08/01/1384930801.db2.gz MBJBAGXMHXWRMT-FFZBTMFNSA-N 2 1 343.515 3.181 20 0 EGADMP CC[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)C1 ZINC001173276557 1384948372 /nfs/dbraw/zinc/94/83/72/1384948372.db2.gz IWRUSIMZVUTQPZ-IEBWSBKVSA-N 2 1 330.520 3.429 20 0 EGADMP CC[C@H]1CC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001173280986 1384950137 /nfs/dbraw/zinc/95/01/37/1384950137.db2.gz QRGTWSUARNEXMI-FYZZASKESA-N 2 1 343.515 3.183 20 0 EGADMP CC[C@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001173280986 1384950141 /nfs/dbraw/zinc/95/01/41/1384950141.db2.gz QRGTWSUARNEXMI-FYZZASKESA-N 2 1 343.515 3.183 20 0 EGADMP CC[C@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001173280986 1384950147 /nfs/dbraw/zinc/95/01/47/1384950147.db2.gz QRGTWSUARNEXMI-FYZZASKESA-N 2 1 343.515 3.183 20 0 EGADMP CC[N@H+]1CC[C@@H](N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001173372805 1384965595 /nfs/dbraw/zinc/96/55/95/1384965595.db2.gz RONHLQRVKFEIAT-OAQYLSRUSA-N 2 1 341.543 3.459 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001173635179 1384993595 /nfs/dbraw/zinc/99/35/95/1384993595.db2.gz UMRRKUYIPAJDMQ-QRVBRYPASA-N 2 1 336.520 3.353 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001173635179 1384993596 /nfs/dbraw/zinc/99/35/96/1384993596.db2.gz UMRRKUYIPAJDMQ-QRVBRYPASA-N 2 1 336.520 3.353 20 0 EGADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1CCN(CC(F)(F)F)CC1 ZINC001173664118 1384999069 /nfs/dbraw/zinc/99/90/69/1384999069.db2.gz QDTFAMIZLHOMBE-OAHLLOKOSA-N 2 1 343.437 3.110 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175256256 1385230864 /nfs/dbraw/zinc/23/08/64/1385230864.db2.gz JZYHTSMEPPDEFZ-MSOLQXFVSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175262112 1385232712 /nfs/dbraw/zinc/23/27/12/1385232712.db2.gz AZJDRKHCHNNWNI-OALUTQOASA-N 2 1 349.563 3.483 20 0 EGADMP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175264358 1385234382 /nfs/dbraw/zinc/23/43/82/1385234382.db2.gz UAAZBYREUFMYIS-ZWKOTPCHSA-N 2 1 325.541 3.173 20 0 EGADMP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175264357 1385234803 /nfs/dbraw/zinc/23/48/03/1385234803.db2.gz UAAZBYREUFMYIS-ROUUACIJSA-N 2 1 325.541 3.173 20 0 EGADMP CC(C)[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001175387992 1385272206 /nfs/dbraw/zinc/27/22/06/1385272206.db2.gz FMBPMUVADODAJW-SXLOBPIMSA-N 2 1 345.531 3.005 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC1CCC1 ZINC001317540967 1385279218 /nfs/dbraw/zinc/27/92/18/1385279218.db2.gz PHSWSEDZQIGGJN-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CC1CCC1 ZINC001317540967 1385279219 /nfs/dbraw/zinc/27/92/19/1385279219.db2.gz PHSWSEDZQIGGJN-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)CC1CCC1 ZINC001317540967 1385279222 /nfs/dbraw/zinc/27/92/22/1385279222.db2.gz PHSWSEDZQIGGJN-LJQANCHMSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+](C(C)(C)C)C2)c1C ZINC001335985271 1388983694 /nfs/dbraw/zinc/98/36/94/1388983694.db2.gz BXMUFMVWDNRBIV-RBUKOAKNSA-N 2 1 348.531 3.062 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001176132378 1385492849 /nfs/dbraw/zinc/49/28/49/1385492849.db2.gz FVAJQWZNAFKFEV-MRXNPFEDSA-N 2 1 342.487 3.172 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCC1CCCC1 ZINC001176286834 1385539639 /nfs/dbraw/zinc/53/96/39/1385539639.db2.gz YPPDYGIGKWIHTR-QGZVFWFLSA-N 2 1 325.541 3.173 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH+](C)CCCC(C)(C)C)CC1 ZINC001317882005 1385560094 /nfs/dbraw/zinc/56/00/94/1385560094.db2.gz MNGQBRGBDRPABN-UHFFFAOYSA-N 2 1 339.568 3.325 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC(C[N@H+](C)CCCC(C)(C)C)CC1 ZINC001317882005 1385560099 /nfs/dbraw/zinc/56/00/99/1385560099.db2.gz MNGQBRGBDRPABN-UHFFFAOYSA-N 2 1 339.568 3.325 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC(C[N@@H+](C)CCCC(C)(C)C)CC1 ZINC001317882005 1385560101 /nfs/dbraw/zinc/56/01/01/1385560101.db2.gz MNGQBRGBDRPABN-UHFFFAOYSA-N 2 1 339.568 3.325 20 0 EGADMP COc1cc(Nc2ccc(CC[NH+]3CCOCC3)cc2)[nH+]cc1C ZINC001176382903 1385571450 /nfs/dbraw/zinc/57/14/50/1385571450.db2.gz WDWNYLBZQRKWDR-UHFFFAOYSA-N 2 1 327.428 3.017 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CC(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001318046389 1385616504 /nfs/dbraw/zinc/61/65/04/1385616504.db2.gz AVBRQQUFCDKRNY-KRWDZBQOSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176566214 1385627726 /nfs/dbraw/zinc/62/77/26/1385627726.db2.gz ZQEYBSHRKXFGSY-IEBWSBKVSA-N 2 1 335.536 3.093 20 0 EGADMP CCCc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C2)cc1 ZINC001318428706 1385684026 /nfs/dbraw/zinc/68/40/26/1385684026.db2.gz MKRQJMNCZZLXRP-PMACEKPBSA-N 2 1 345.531 3.012 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001176754483 1385685238 /nfs/dbraw/zinc/68/52/38/1385685238.db2.gz WSHDBIILQOMQFD-IBGZPJMESA-N 2 1 347.547 3.408 20 0 EGADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001176759903 1385686855 /nfs/dbraw/zinc/68/68/55/1385686855.db2.gz OATFQSOTZOQACD-IEBWSBKVSA-N 2 1 333.520 3.210 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001176759575 1385687128 /nfs/dbraw/zinc/68/71/28/1385687128.db2.gz KCGADSOLHXUPFJ-YLJYHZDGSA-N 2 1 345.531 3.354 20 0 EGADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176820427 1385713273 /nfs/dbraw/zinc/71/32/73/1385713273.db2.gz NFLQTFIKGHBDTE-GOSISDBHSA-N 2 1 333.520 3.039 20 0 EGADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176820427 1385713274 /nfs/dbraw/zinc/71/32/74/1385713274.db2.gz NFLQTFIKGHBDTE-GOSISDBHSA-N 2 1 333.520 3.039 20 0 EGADMP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001318561806 1385757783 /nfs/dbraw/zinc/75/77/83/1385757783.db2.gz KQNFOIDAXKRIQB-ROUUACIJSA-N 2 1 337.552 3.172 20 0 EGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001318975042 1385903992 /nfs/dbraw/zinc/90/39/92/1385903992.db2.gz QSCSRVHWZOTLFI-UHFFFAOYSA-N 2 1 343.471 3.051 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]C(C)C)CC1CCCC1 ZINC001177335647 1385918242 /nfs/dbraw/zinc/91/82/42/1385918242.db2.gz IRGGBSFEQHMQMT-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+](CC(=O)NCCC[NH2+]CCC1CCCCC1)Cc1ccccc1 ZINC001177344768 1385922050 /nfs/dbraw/zinc/92/20/50/1385922050.db2.gz VCUTWHAZWCUFJW-UHFFFAOYSA-N 2 1 345.531 3.185 20 0 EGADMP C[N@@H+](CC(=O)NCCC[NH2+]CCC1CCCCC1)Cc1ccccc1 ZINC001177344768 1385922053 /nfs/dbraw/zinc/92/20/53/1385922053.db2.gz VCUTWHAZWCUFJW-UHFFFAOYSA-N 2 1 345.531 3.185 20 0 EGADMP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001177416228 1385949241 /nfs/dbraw/zinc/94/92/41/1385949241.db2.gz WPUUUPCFBNHHQM-UYAOXDASSA-N 2 1 349.563 3.149 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CCC[NH2+]C[C@@H](C)CC)CC1CCCC1 ZINC001177466682 1385966304 /nfs/dbraw/zinc/96/63/04/1385966304.db2.gz BGEHRYYSBXXKKW-SFHVURJKSA-N 2 1 339.568 3.373 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N(CCC[NH2+]CC2CCCC2)CC2CCCC2)C1 ZINC001177477551 1385971248 /nfs/dbraw/zinc/97/12/48/1385971248.db2.gz GJDBMUQNDFZUEJ-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@H]2[NH+](C)C)c1C ZINC001319288419 1386045482 /nfs/dbraw/zinc/04/54/82/1386045482.db2.gz AOPDMSNJWRRVQT-ZYSHUDEJSA-N 2 1 331.504 3.483 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CC2(NC(=O)[C@H]3CCC[N@H+]3C)CCCC2)c1 ZINC001698628450 1406270752 /nfs/dbraw/zinc/27/07/52/1406270752.db2.gz ULLYVCQCXPHXGK-IEBWSBKVSA-N 2 1 343.515 3.169 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+][C@H](C)c2ccc(F)cc2)CCCC1 ZINC001319385903 1386096094 /nfs/dbraw/zinc/09/60/94/1386096094.db2.gz DOHVQLDTSGIBDJ-MRXNPFEDSA-N 2 1 349.494 3.247 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001319390226 1386100554 /nfs/dbraw/zinc/10/05/54/1386100554.db2.gz XGIVDMRIHUJWPN-LJQANCHMSA-N 2 1 349.563 3.460 20 0 EGADMP CC[C@H]([NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001178045637 1386115515 /nfs/dbraw/zinc/11/55/15/1386115515.db2.gz QLSYBJSEIGQTDA-VQTJNVASSA-N 2 1 345.531 3.498 20 0 EGADMP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC001178045747 1386115926 /nfs/dbraw/zinc/11/59/26/1386115926.db2.gz UMUICFJDSGYQTJ-APWZRJJASA-N 2 1 349.494 3.247 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178484346 1386231598 /nfs/dbraw/zinc/23/15/98/1386231598.db2.gz SVAFCHGNPISVTG-RTBURBONSA-N 2 1 337.552 3.317 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCCCCC[NH2+]CC1CC1 ZINC001178528395 1386241861 /nfs/dbraw/zinc/24/18/61/1386241861.db2.gz XYTHWCWXNNQZBJ-MRXNPFEDSA-N 2 1 334.508 3.073 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001178527529 1386242036 /nfs/dbraw/zinc/24/20/36/1386242036.db2.gz NYZHWUMBLBKZGE-KRWDZBQOSA-N 2 1 348.535 3.463 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178689730 1386278519 /nfs/dbraw/zinc/27/85/19/1386278519.db2.gz XERKHCXWCKPVEE-QHWWWDCYSA-N 2 1 335.536 3.185 20 0 EGADMP C[N@@H+](CC(=O)NCCCCCC[NH2+]CC1=CCCCC1)C1CCC1 ZINC001178702899 1386284319 /nfs/dbraw/zinc/28/43/19/1386284319.db2.gz ZCNQFJCYDAHRQH-UHFFFAOYSA-N 2 1 335.536 3.237 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178810416 1386314217 /nfs/dbraw/zinc/31/42/17/1386314217.db2.gz FROGRAGJUPTKLF-MOPGFXCFSA-N 2 1 337.552 3.316 20 0 EGADMP Cc1ccccc1C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178826984 1386319247 /nfs/dbraw/zinc/31/92/47/1386319247.db2.gz BYFDKQUPLISGPI-HXUWFJFHSA-N 2 1 345.531 3.246 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC[C@H](C)F ZINC001178920639 1386349373 /nfs/dbraw/zinc/34/93/73/1386349373.db2.gz CCYOJXXWFVCMJU-ROUUACIJSA-N 2 1 343.531 3.121 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001179026128 1386380336 /nfs/dbraw/zinc/38/03/36/1386380336.db2.gz NGHOAVDJWUNXOS-UHFFFAOYSA-N 2 1 346.519 3.038 20 0 EGADMP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001179234376 1386428412 /nfs/dbraw/zinc/42/84/12/1386428412.db2.gz MDINVZFWGLUSBO-AOIWGVFYSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1ccc(C[NH2+]CCCCCCNC(=O)C[N@@H+]2CCC[C@H]2C)cc1 ZINC001179580572 1386521639 /nfs/dbraw/zinc/52/16/39/1386521639.db2.gz ISTNHXCCFFYTJX-LJQANCHMSA-N 2 1 345.531 3.246 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCCCCCC[NH2+]CCCC(C)(C)C)C1 ZINC001179586875 1386524561 /nfs/dbraw/zinc/52/45/61/1386524561.db2.gz UVOKRLNJEZMCBJ-SFHVURJKSA-N 2 1 339.568 3.421 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCCCCC[NH2+]CC[C@@H](C)F ZINC001179713997 1386562035 /nfs/dbraw/zinc/56/20/35/1386562035.db2.gz AJCNKJRPQSFCOC-MRXNPFEDSA-N 2 1 340.487 3.021 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC[C@H](C)F ZINC001179746082 1386570481 /nfs/dbraw/zinc/57/04/81/1386570481.db2.gz NZFODLISTGPYHP-ROUUACIJSA-N 2 1 343.531 3.264 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@@H]1C ZINC001179748705 1386570640 /nfs/dbraw/zinc/57/06/40/1386570640.db2.gz GACCBVHAAVZFSW-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP C[C@@H](Cc1cnc[nH]1)C(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179777042 1386581442 /nfs/dbraw/zinc/58/14/42/1386581442.db2.gz NVUIVVQEXGRUPF-KRWDZBQOSA-N 2 1 348.535 3.435 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)CCCn1cc[nH+]c1C ZINC001179824094 1386597281 /nfs/dbraw/zinc/59/72/81/1386597281.db2.gz QMAAIGFJEFSCDC-UHFFFAOYSA-N 2 1 336.524 3.428 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)[C@@H]1C ZINC001179978660 1386656378 /nfs/dbraw/zinc/65/63/78/1386656378.db2.gz HDMXEHLVXLGLBM-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)CS1 ZINC001320719006 1386700802 /nfs/dbraw/zinc/70/08/02/1386700802.db2.gz KQKCGUJDMUPNKG-WOJBJXKFSA-N 2 1 347.572 3.054 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]Cc1ccccc1C ZINC001180123268 1386703824 /nfs/dbraw/zinc/70/38/24/1386703824.db2.gz DLVUUVAGAQIIPQ-UHFFFAOYSA-N 2 1 333.520 3.103 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001180369376 1386775717 /nfs/dbraw/zinc/77/57/17/1386775717.db2.gz BMQQKDZEZCDJAV-UHFFFAOYSA-N 2 1 337.552 3.483 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001180373274 1386777512 /nfs/dbraw/zinc/77/75/12/1386777512.db2.gz ZUIXQKLOERFGRJ-ZWKOTPCHSA-N 2 1 325.541 3.173 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)cc2)C1 ZINC001321196834 1386837689 /nfs/dbraw/zinc/83/76/89/1386837689.db2.gz UDTVXEBSGNAUTM-GOSISDBHSA-N 2 1 326.488 3.251 20 0 EGADMP CC(C)[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001698693848 1406337910 /nfs/dbraw/zinc/33/79/10/1406337910.db2.gz FNEQCVAEKQEDDW-IBGZPJMESA-N 2 1 349.563 3.268 20 0 EGADMP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001181941765 1387080282 /nfs/dbraw/zinc/08/02/82/1387080282.db2.gz OYHYVIUSLSGQGP-YGKRFTFPSA-N 2 1 337.552 3.147 20 0 EGADMP CCCC[N@@H+](CC)[C@@H](C(=O)NCC[NH+](CC)CC)c1ccccc1 ZINC001182231585 1387126692 /nfs/dbraw/zinc/12/66/92/1387126692.db2.gz KHORTANFHSNIPF-LJQANCHMSA-N 2 1 333.520 3.308 20 0 EGADMP CC(C)c1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001322282028 1387138064 /nfs/dbraw/zinc/13/80/64/1387138064.db2.gz VDHNEXSJWYAKEQ-XLIONFOSSA-N 2 1 347.547 3.333 20 0 EGADMP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001182369990 1387157876 /nfs/dbraw/zinc/15/78/76/1387157876.db2.gz WOLVWXNTFHJATB-ROQDKOEBSA-N 2 1 349.563 3.147 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[C@H]2[NH+](C)C)c(C)c1OC ZINC001322447682 1387188499 /nfs/dbraw/zinc/18/84/99/1387188499.db2.gz ZPKFRHDTYKREKO-JCGIZDLHSA-N 2 1 334.504 3.406 20 0 EGADMP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001182623703 1387198390 /nfs/dbraw/zinc/19/83/90/1387198390.db2.gz SBQQCBVFIGKYGQ-DAHFBQOPSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001182693617 1387208660 /nfs/dbraw/zinc/20/86/60/1387208660.db2.gz ZPIYARRXUCFXDZ-KBSZCIAZSA-N 2 1 346.519 3.334 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2cc3ccccc3[nH]2)CC1 ZINC001322653475 1387219910 /nfs/dbraw/zinc/21/99/10/1387219910.db2.gz VDRJAOCQVQVVGO-UHFFFAOYSA-N 2 1 328.504 3.016 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001329549520 1389152240 /nfs/dbraw/zinc/15/22/40/1389152240.db2.gz JZMRJTIHAMZUFK-QZTJIDSGSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001329549520 1389152242 /nfs/dbraw/zinc/15/22/42/1389152242.db2.gz JZMRJTIHAMZUFK-QZTJIDSGSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001329549520 1389152243 /nfs/dbraw/zinc/15/22/43/1389152243.db2.gz JZMRJTIHAMZUFK-QZTJIDSGSA-N 2 1 347.547 3.470 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC001336785283 1389168726 /nfs/dbraw/zinc/16/87/26/1389168726.db2.gz NHODQVDIIWQYTK-MLGOLLRUSA-N 2 1 328.859 3.223 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001331633311 1389838944 /nfs/dbraw/zinc/83/89/44/1389838944.db2.gz VKIGIUMGEUEKCN-KGLIPLIRSA-N 2 1 348.878 3.043 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2C)C1 ZINC001332326278 1390087736 /nfs/dbraw/zinc/08/77/36/1390087736.db2.gz ZXSFYODQMOIAET-UYAOXDASSA-N 2 1 345.531 3.020 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnn(-c4ccc(F)cc4)c3)C[C@H]2C1 ZINC001333839650 1390419609 /nfs/dbraw/zinc/41/96/09/1390419609.db2.gz AAFWEIUVXCINPC-MBOZVWFJSA-N 2 1 342.462 3.174 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cnn(-c4ccc(F)cc4)c3)C[C@H]2C1 ZINC001333839651 1390419835 /nfs/dbraw/zinc/41/98/35/1390419835.db2.gz AAFWEIUVXCINPC-SQGPQFPESA-N 2 1 342.462 3.174 20 0 EGADMP COC(=O)c1cc(C[N@H+]2CCC[C@H]2CNc2cccc(C)n2)oc1C ZINC001341567813 1390503755 /nfs/dbraw/zinc/50/37/55/1390503755.db2.gz MQUQURJJZIYFEK-HNNXBMFYSA-N 2 1 343.427 3.155 20 0 EGADMP COC(=O)c1cc(CN2CCC[C@H]2CNc2cccc(C)n2)oc1C ZINC001341567813 1390503757 /nfs/dbraw/zinc/50/37/57/1390503757.db2.gz MQUQURJJZIYFEK-HNNXBMFYSA-N 2 1 343.427 3.155 20 0 EGADMP CSCC[C@H]([NH3+])CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001341643136 1390513383 /nfs/dbraw/zinc/51/33/83/1390513383.db2.gz AQECSXOCQHSDPH-RDJZCZTQSA-N 2 1 349.544 3.328 20 0 EGADMP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC001334309365 1390514698 /nfs/dbraw/zinc/51/46/98/1390514698.db2.gz SNFWIQPPFPBRGT-ZCNNSNEGSA-N 2 1 343.515 3.098 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC001342063169 1390566837 /nfs/dbraw/zinc/56/68/37/1390566837.db2.gz MBFKESAJRGLIJP-ZHALLVOQSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001342063169 1390566839 /nfs/dbraw/zinc/56/68/39/1390566839.db2.gz MBFKESAJRGLIJP-ZHALLVOQSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cn3ccc(-c4ccc(F)cc4)n3)C[C@H]2C1 ZINC001334723475 1390574849 /nfs/dbraw/zinc/57/48/49/1390574849.db2.gz DYDJNFLTJHMZFU-ZHALLVOQSA-N 2 1 342.462 3.309 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCc2nccn2C)cc1 ZINC001345632071 1390870490 /nfs/dbraw/zinc/87/04/90/1390870490.db2.gz ISMGUBFIVZVQOE-MRXNPFEDSA-N 2 1 340.471 3.366 20 0 EGADMP [NH3+][C@@H](c1noc(-c2cccc(C[NH+]3CCCC3)c2)n1)c1ccccc1 ZINC001349303107 1391319332 /nfs/dbraw/zinc/31/93/32/1391319332.db2.gz SFFBXNCKWGDUGA-GOSISDBHSA-N 2 1 334.423 3.381 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@H](C)c1ccccc1C ZINC001488685513 1391702066 /nfs/dbraw/zinc/70/20/66/1391702066.db2.gz KTLAYRLNJNQNEE-MOPGFXCFSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)c1ccccc1C ZINC001488685513 1391702068 /nfs/dbraw/zinc/70/20/68/1391702068.db2.gz KTLAYRLNJNQNEE-MOPGFXCFSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)c1ccccc1C ZINC001488685513 1391702071 /nfs/dbraw/zinc/70/20/71/1391702071.db2.gz KTLAYRLNJNQNEE-MOPGFXCFSA-N 2 1 345.531 3.321 20 0 EGADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001351934838 1391719488 /nfs/dbraw/zinc/71/94/88/1391719488.db2.gz KCFVXSWLBFXGPF-WCXIOVBPSA-N 2 1 339.524 3.142 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1 ZINC001479299235 1392208002 /nfs/dbraw/zinc/20/80/02/1392208002.db2.gz JAESRCBSYSQBRR-IMFGXOCKSA-N 2 1 343.515 3.106 20 0 EGADMP CCCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001479993662 1392525264 /nfs/dbraw/zinc/52/52/64/1392525264.db2.gz PLJSLOYRBXHHNB-IBGZPJMESA-N 2 1 337.552 3.362 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001480081215 1392570576 /nfs/dbraw/zinc/57/05/76/1392570576.db2.gz LBHCHYXHUSXBCM-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001480264251 1392648806 /nfs/dbraw/zinc/64/88/06/1392648806.db2.gz BWKKYQHDOMDRRF-UYAOXDASSA-N 2 1 345.531 3.308 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001480264251 1392648810 /nfs/dbraw/zinc/64/88/10/1392648810.db2.gz BWKKYQHDOMDRRF-UYAOXDASSA-N 2 1 345.531 3.308 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001480264251 1392648834 /nfs/dbraw/zinc/64/88/34/1392648834.db2.gz BWKKYQHDOMDRRF-UYAOXDASSA-N 2 1 345.531 3.308 20 0 EGADMP C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)[C@H]1CCC[NH+](CC2CC2)C1 ZINC001480382659 1392726169 /nfs/dbraw/zinc/72/61/69/1392726169.db2.gz MIAPHVWKTGRRRQ-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001480382659 1392726172 /nfs/dbraw/zinc/72/61/72/1392726172.db2.gz MIAPHVWKTGRRRQ-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H](NC(=O)CC[NH+](C)C1CCCCC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001480382659 1392726176 /nfs/dbraw/zinc/72/61/76/1392726176.db2.gz MIAPHVWKTGRRRQ-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001480382164 1392726231 /nfs/dbraw/zinc/72/62/31/1392726231.db2.gz HQLNYJAQPOVVAB-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H]([N@@H+](C)C/C=C/Cl)C2)c1 ZINC001480742451 1392908971 /nfs/dbraw/zinc/90/89/71/1392908971.db2.gz LKTYQEJWPHPUKW-OPUMOTSWSA-N 2 1 349.906 3.037 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@H](C)c1cccc(F)c1 ZINC001480979436 1393064437 /nfs/dbraw/zinc/06/44/37/1393064437.db2.gz JEPGMIDTUDLVFG-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)[C@H](C)c1cccc(F)c1 ZINC001480979436 1393064440 /nfs/dbraw/zinc/06/44/40/1393064440.db2.gz JEPGMIDTUDLVFG-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)[C@H](C)c1cccc(F)c1 ZINC001480979436 1393064447 /nfs/dbraw/zinc/06/44/47/1393064447.db2.gz JEPGMIDTUDLVFG-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CCCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001481405632 1394258392 /nfs/dbraw/zinc/25/83/92/1394258392.db2.gz KOIYMVZUXRVCNJ-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CCCC[NH+]1CCC(N(CCC)C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001490619181 1394286146 /nfs/dbraw/zinc/28/61/46/1394286146.db2.gz VSYYYIYDFQZFCD-UHFFFAOYSA-N 2 1 339.568 3.467 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001481444195 1394296864 /nfs/dbraw/zinc/29/68/64/1394296864.db2.gz KJRKQPGAGQAHIW-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001490761885 1394323329 /nfs/dbraw/zinc/32/33/29/1394323329.db2.gz FBGPJPKVTJXOOP-KRWDZBQOSA-N 2 1 342.487 3.227 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481526676 1394378043 /nfs/dbraw/zinc/37/80/43/1394378043.db2.gz XWIKHJOZLJUYNQ-AQNXPRMDSA-N 2 1 345.531 3.305 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481526675 1394378541 /nfs/dbraw/zinc/37/85/41/1394378541.db2.gz XWIKHJOZLJUYNQ-AABGKKOBSA-N 2 1 345.531 3.305 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001481526678 1394378648 /nfs/dbraw/zinc/37/86/48/1394378648.db2.gz XXFOWJVVMVIXBZ-PKOBYXMFSA-N 2 1 343.515 3.121 20 0 EGADMP CC1CC(C[N@H+]2CCCC[C@@H]2CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001491235334 1394487967 /nfs/dbraw/zinc/48/79/67/1394487967.db2.gz DCCFZWMCWAYICM-SOAGJPPSSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+]CCC1CCCCCC1 ZINC001481878489 1394573274 /nfs/dbraw/zinc/57/32/74/1394573274.db2.gz IZNVUMPHZYIKFS-GOSISDBHSA-N 2 1 334.508 3.036 20 0 EGADMP C[N@@H+](CCC(=O)NC1(C[NH2+]CC2CC2)CCCC1)C1CCCCC1 ZINC001481900710 1394586957 /nfs/dbraw/zinc/58/69/57/1394586957.db2.gz AHRSDCKXEOAWGJ-UHFFFAOYSA-N 2 1 335.536 3.070 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001482173001 1394786402 /nfs/dbraw/zinc/78/64/02/1394786402.db2.gz DCDZQKCDKWUBDK-UZLBHIALSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001484061175 1395225343 /nfs/dbraw/zinc/22/53/43/1395225343.db2.gz PRJJTRTYERIWOE-FXAWDEMLSA-N 2 1 348.535 3.269 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001484061175 1395225348 /nfs/dbraw/zinc/22/53/48/1395225348.db2.gz PRJJTRTYERIWOE-FXAWDEMLSA-N 2 1 348.535 3.269 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2(C)CC[NH+](CC3CCCCC3)CC2)C1 ZINC001484142386 1395278523 /nfs/dbraw/zinc/27/85/23/1395278523.db2.gz ZHTDMFONKWLZQP-GOSISDBHSA-N 2 1 349.563 3.127 20 0 EGADMP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@@H+](CCCC3CCC3)CC2)CCC1 ZINC001484716623 1395477103 /nfs/dbraw/zinc/47/71/03/1395477103.db2.gz OAJFUPWRGDEAGC-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C/C=C\c2ccccc2)[C@@H](C)C1 ZINC001484982964 1395623665 /nfs/dbraw/zinc/62/36/65/1395623665.db2.gz USJRQWZREIYUAC-QQXWZLKESA-N 2 1 343.515 3.011 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C/C=C\c2ccccc2)[C@@H](C)C1 ZINC001484982964 1395623681 /nfs/dbraw/zinc/62/36/81/1395623681.db2.gz USJRQWZREIYUAC-QQXWZLKESA-N 2 1 343.515 3.011 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)[C@@H](C)C1 ZINC001484982964 1395623690 /nfs/dbraw/zinc/62/36/90/1395623690.db2.gz USJRQWZREIYUAC-QQXWZLKESA-N 2 1 343.515 3.011 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001485289348 1395766186 /nfs/dbraw/zinc/76/61/86/1395766186.db2.gz ZXPAWYDAWRDOOA-VQIMIIECSA-N 2 1 345.531 3.015 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001485289348 1395766189 /nfs/dbraw/zinc/76/61/89/1395766189.db2.gz ZXPAWYDAWRDOOA-VQIMIIECSA-N 2 1 345.531 3.015 20 0 EGADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001485289348 1395766190 /nfs/dbraw/zinc/76/61/90/1395766190.db2.gz ZXPAWYDAWRDOOA-VQIMIIECSA-N 2 1 345.531 3.015 20 0 EGADMP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@@H+](C)[C@H](C)c1ccccc1 ZINC001485300728 1395778936 /nfs/dbraw/zinc/77/89/36/1395778936.db2.gz FPMKFRRYASLCBB-QZTJIDSGSA-N 2 1 345.531 3.449 20 0 EGADMP CC(C)(C)CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001494558242 1396468523 /nfs/dbraw/zinc/46/85/23/1396468523.db2.gz BOCAMYQCJWJTTK-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1ccc(C[N@H+](C)CCN(C)C(=O)CCC[NH+]2CCCC2)c(C)c1 ZINC001699004819 1406824325 /nfs/dbraw/zinc/82/43/25/1406824325.db2.gz ZUNWMWQDSYJTIB-UHFFFAOYSA-N 2 1 345.531 3.070 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCCC1 ZINC001495949463 1396575467 /nfs/dbraw/zinc/57/54/67/1396575467.db2.gz OHMMVCMPIKGLKS-UBAGTECSSA-N 2 1 341.927 3.020 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001497297395 1396745214 /nfs/dbraw/zinc/74/52/14/1396745214.db2.gz FEYYZDOBTNDZRB-KXBFYZLASA-N 2 1 349.494 3.029 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)Cc2ccccc2C)C1 ZINC001690197117 1404405909 /nfs/dbraw/zinc/40/59/09/1404405909.db2.gz GZVGVQKIVPZNIW-LJQANCHMSA-N 2 1 345.531 3.007 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2C)C1 ZINC001690197117 1404405911 /nfs/dbraw/zinc/40/59/11/1404405911.db2.gz GZVGVQKIVPZNIW-LJQANCHMSA-N 2 1 345.531 3.007 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2C)C1 ZINC001690197117 1404405913 /nfs/dbraw/zinc/40/59/13/1404405913.db2.gz GZVGVQKIVPZNIW-LJQANCHMSA-N 2 1 345.531 3.007 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+]1CCC1CC1 ZINC001690492735 1404606354 /nfs/dbraw/zinc/60/63/54/1404606354.db2.gz UJHNTZUPJCQGLZ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CCC1CC1 ZINC001690492735 1404606356 /nfs/dbraw/zinc/60/63/56/1404606356.db2.gz UJHNTZUPJCQGLZ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+]1CCC1CC1 ZINC001690492735 1404606358 /nfs/dbraw/zinc/60/63/58/1404606358.db2.gz UJHNTZUPJCQGLZ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)CCNC(=O)CCC[NH+]2CCCCC2)c1 ZINC001690996762 1404914140 /nfs/dbraw/zinc/91/41/40/1404914140.db2.gz SPFBKRSVQOPNDJ-IBGZPJMESA-N 2 1 345.531 3.370 20 0 EGADMP CC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)[C@H](C)c1ccccc1F ZINC001691044718 1404955831 /nfs/dbraw/zinc/95/58/31/1404955831.db2.gz DPCTXGHDOMOXGV-QGZVFWFLSA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001691065802 1404992465 /nfs/dbraw/zinc/99/24/65/1404992465.db2.gz GLIKJBLNLZSVMI-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@H]1CN(C)C(=O)CC[N@H+](C)CC ZINC001691065802 1404992467 /nfs/dbraw/zinc/99/24/67/1404992467.db2.gz GLIKJBLNLZSVMI-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@H]1CN(C)C(=O)CC[N@@H+](C)CC ZINC001691065802 1404992470 /nfs/dbraw/zinc/99/24/70/1404992470.db2.gz GLIKJBLNLZSVMI-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]([C@@H](C)c1ccccc1)C1CC1 ZINC001691211497 1405151791 /nfs/dbraw/zinc/15/17/91/1405151791.db2.gz UCWSEOYDDZBTCO-FXAWDEMLSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC001691211497 1405151796 /nfs/dbraw/zinc/15/17/96/1405151796.db2.gz UCWSEOYDDZBTCO-FXAWDEMLSA-N 2 1 343.515 3.203 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC001691211497 1405151799 /nfs/dbraw/zinc/15/17/99/1405151799.db2.gz UCWSEOYDDZBTCO-FXAWDEMLSA-N 2 1 343.515 3.203 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001691898450 1405620489 /nfs/dbraw/zinc/62/04/89/1405620489.db2.gz PRWISWOPFXSYDP-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001691990128 1405703125 /nfs/dbraw/zinc/70/31/25/1405703125.db2.gz VORDJQOLMUOSLM-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001691990128 1405703130 /nfs/dbraw/zinc/70/31/30/1405703130.db2.gz VORDJQOLMUOSLM-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001691990128 1405703135 /nfs/dbraw/zinc/70/31/35/1405703135.db2.gz VORDJQOLMUOSLM-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001698551456 1406149321 /nfs/dbraw/zinc/14/93/21/1406149321.db2.gz PMDCGWHLFWIASH-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@H](C)c1cccc(C)c1 ZINC001698602765 1406229222 /nfs/dbraw/zinc/22/92/22/1406229222.db2.gz OZFBBADUDJPRHM-AEFFLSMTSA-N 2 1 331.504 3.025 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC2(C[NH2+]CC3CCC(C)(C)CC3)CCCC2)C1 ZINC001732237903 1428483597 /nfs/dbraw/zinc/48/35/97/1428483597.db2.gz VFPYMTXGUGVGBW-SFHVURJKSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCC2CC2)C1 ZINC001732526029 1428645686 /nfs/dbraw/zinc/64/56/86/1428645686.db2.gz BCJZHCCREWYYPW-WMZOPIPTSA-N 2 1 346.519 3.023 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1ccc(F)cc1)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001699219667 1412583790 /nfs/dbraw/zinc/58/37/90/1412583790.db2.gz FUWPHZKVHJLVBX-LPHOPBHVSA-N 2 1 349.494 3.199 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699471746 1412853483 /nfs/dbraw/zinc/85/34/83/1412853483.db2.gz LQGXWRNWAOBRNP-MSOLQXFVSA-N 2 1 339.568 3.226 20 0 EGADMP CC[N@@H+](CC1CC1)C1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001699688170 1413088821 /nfs/dbraw/zinc/08/88/21/1413088821.db2.gz MZWQMJWDVIZQNL-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](CC1CC1)C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001699688170 1413088828 /nfs/dbraw/zinc/08/88/28/1413088828.db2.gz MZWQMJWDVIZQNL-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](CC1CC1)C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001699688170 1413088831 /nfs/dbraw/zinc/08/88/31/1413088831.db2.gz MZWQMJWDVIZQNL-UHFFFAOYSA-N 2 1 349.563 3.364 20 0 EGADMP CCC(CC)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001699689676 1413093400 /nfs/dbraw/zinc/09/34/00/1413093400.db2.gz SYRIGPVKJRNIKS-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001699689676 1413093406 /nfs/dbraw/zinc/09/34/06/1413093406.db2.gz SYRIGPVKJRNIKS-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001699689676 1413093412 /nfs/dbraw/zinc/09/34/12/1413093412.db2.gz SYRIGPVKJRNIKS-IBGZPJMESA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@]2(C1)CCC[NH+](CCC1CCCC1)C2 ZINC001699696044 1413105714 /nfs/dbraw/zinc/10/57/14/1413105714.db2.gz YIJJBTAGNMXLIV-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCC1)C2 ZINC001699696044 1413105718 /nfs/dbraw/zinc/10/57/18/1413105718.db2.gz YIJJBTAGNMXLIV-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC1CCCC1)C2 ZINC001699696044 1413105722 /nfs/dbraw/zinc/10/57/22/1413105722.db2.gz YIJJBTAGNMXLIV-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1(C)CC[NH+](CCC2CCCC2)CC1 ZINC001699774293 1413183016 /nfs/dbraw/zinc/18/30/16/1413183016.db2.gz PRLVLPBKEUTDIG-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001700101878 1413519604 /nfs/dbraw/zinc/51/96/04/1413519604.db2.gz VXHDVFIJCRVTKC-QWFCFKBJSA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(C)c2)CC1 ZINC001700105200 1413524056 /nfs/dbraw/zinc/52/40/56/1413524056.db2.gz LTWZBCNUSRMDGI-KESTWPANSA-N 2 1 345.531 3.101 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001700365308 1413888216 /nfs/dbraw/zinc/88/82/16/1413888216.db2.gz VJAWFBQDPOQQCJ-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001700365308 1413888223 /nfs/dbraw/zinc/88/82/23/1413888223.db2.gz VJAWFBQDPOQQCJ-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001700365308 1413888225 /nfs/dbraw/zinc/88/82/25/1413888225.db2.gz VJAWFBQDPOQQCJ-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001700841275 1414491439 /nfs/dbraw/zinc/49/14/39/1414491439.db2.gz LVQZHBSAYIHQAM-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC2CCCCC2)CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001700841273 1414491634 /nfs/dbraw/zinc/49/16/34/1414491634.db2.gz LVQZHBSAYIHQAM-AEFFLSMTSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1cc(C)c(C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)c(C)c1 ZINC001733014259 1429133665 /nfs/dbraw/zinc/13/36/65/1429133665.db2.gz MCUQRROGWGPOJK-SFHVURJKSA-N 2 1 347.547 3.184 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ccccc1C ZINC001713002083 1417555832 /nfs/dbraw/zinc/55/58/32/1417555832.db2.gz GYCABWHGVQCDDK-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP Cc1ccccc1C[N@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001713134407 1417712612 /nfs/dbraw/zinc/71/26/12/1417712612.db2.gz MZZHZBSZKUHNLX-LJQANCHMSA-N 2 1 345.531 3.007 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001713173547 1417746279 /nfs/dbraw/zinc/74/62/79/1417746279.db2.gz IHWVQRWZEAMMHI-NSISKUIASA-N 2 1 345.531 3.450 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2ccccc2C)C1 ZINC001713398925 1418018859 /nfs/dbraw/zinc/01/88/59/1418018859.db2.gz AUMIYOLFRJZBSO-RBUKOAKNSA-N 2 1 345.531 3.321 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001713398925 1418018864 /nfs/dbraw/zinc/01/88/64/1418018864.db2.gz AUMIYOLFRJZBSO-RBUKOAKNSA-N 2 1 345.531 3.321 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001713398925 1418018866 /nfs/dbraw/zinc/01/88/66/1418018866.db2.gz AUMIYOLFRJZBSO-RBUKOAKNSA-N 2 1 345.531 3.321 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC1CCCCC1 ZINC001713485917 1418180524 /nfs/dbraw/zinc/18/05/24/1418180524.db2.gz NIZIWPGCFBKYQQ-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CC1CCCCC1 ZINC001713485917 1418180529 /nfs/dbraw/zinc/18/05/29/1418180529.db2.gz NIZIWPGCFBKYQQ-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CC1CCCCC1 ZINC001713485917 1418180533 /nfs/dbraw/zinc/18/05/33/1418180533.db2.gz NIZIWPGCFBKYQQ-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)c1ccccc1C[N@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001713536136 1418289944 /nfs/dbraw/zinc/28/99/44/1418289944.db2.gz RHQQVFFNJZNIDH-GOSISDBHSA-N 2 1 345.531 3.090 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)c1ccccc1C ZINC001713546314 1418316568 /nfs/dbraw/zinc/31/65/68/1418316568.db2.gz HDTZYPJBCKHFDL-QWFCFKBJSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H](C)c1ccccc1C ZINC001713546314 1418316574 /nfs/dbraw/zinc/31/65/74/1418316574.db2.gz HDTZYPJBCKHFDL-QWFCFKBJSA-N 2 1 345.531 3.224 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H](C)c1ccccc1C ZINC001713546314 1418316579 /nfs/dbraw/zinc/31/65/79/1418316579.db2.gz HDTZYPJBCKHFDL-QWFCFKBJSA-N 2 1 345.531 3.224 20 0 EGADMP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001713720297 1418491670 /nfs/dbraw/zinc/49/16/70/1418491670.db2.gz SSZLWWTVIOFQMM-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001713737249 1418533559 /nfs/dbraw/zinc/53/35/59/1418533559.db2.gz BPXHARCZEPTOPA-LJQANCHMSA-N 2 1 337.552 3.127 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001713737249 1418533563 /nfs/dbraw/zinc/53/35/63/1418533563.db2.gz BPXHARCZEPTOPA-LJQANCHMSA-N 2 1 337.552 3.127 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001713737249 1418533567 /nfs/dbraw/zinc/53/35/67/1418533567.db2.gz BPXHARCZEPTOPA-LJQANCHMSA-N 2 1 337.552 3.127 20 0 EGADMP C[N@@H+](CCC1=CCCCC1)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001713754158 1418557404 /nfs/dbraw/zinc/55/74/04/1418557404.db2.gz BMAAKWNYEKTBHV-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CCC1=CCCCC1)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001713754158 1418557406 /nfs/dbraw/zinc/55/74/06/1418557406.db2.gz BMAAKWNYEKTBHV-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CCC1=CCCCC1)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001713754158 1418557407 /nfs/dbraw/zinc/55/74/07/1418557407.db2.gz BMAAKWNYEKTBHV-PMACEKPBSA-N 2 1 347.547 3.142 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001713760301 1418568802 /nfs/dbraw/zinc/56/88/02/1418568802.db2.gz CHNFIXYWXNEVTP-IOJLRTSASA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1)[NH+](CC)CC ZINC001713765621 1418578830 /nfs/dbraw/zinc/57/88/30/1418578830.db2.gz AJZKUDBEDLIFEF-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CCc1ccc(C[N@@H+]2CC[C@@H](N(CC)C(=O)CC[NH+](C)CC)C2)cc1 ZINC001714049522 1418847855 /nfs/dbraw/zinc/84/78/55/1418847855.db2.gz JKQOVOTWRDVRQA-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccc(C[NH+]2CC[C@@H](N(CC)C(=O)CC[N@H+](C)CC)C2)cc1 ZINC001714049522 1418847857 /nfs/dbraw/zinc/84/78/57/1418847857.db2.gz JKQOVOTWRDVRQA-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1ccc(C[NH+]2CC[C@@H](N(CC)C(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001714049522 1418847859 /nfs/dbraw/zinc/84/78/59/1418847859.db2.gz JKQOVOTWRDVRQA-HXUWFJFHSA-N 2 1 345.531 3.014 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001714277981 1419058256 /nfs/dbraw/zinc/05/82/56/1419058256.db2.gz GAFPNQFURZFMHH-KRWDZBQOSA-N 2 1 348.535 3.461 20 0 EGADMP CCc1ccc(C[NH+](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001714563688 1419291158 /nfs/dbraw/zinc/29/11/58/1419291158.db2.gz HPLGFDZPHYNFLQ-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccc(C[NH+](C)CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001714563688 1419291161 /nfs/dbraw/zinc/29/11/61/1419291161.db2.gz HPLGFDZPHYNFLQ-FQEVSTJZSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001714616364 1419379230 /nfs/dbraw/zinc/37/92/30/1419379230.db2.gz HRTNPQPXANGNTM-QUCCMNQESA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001714644177 1419417098 /nfs/dbraw/zinc/41/70/98/1419417098.db2.gz KWWXPVQVUAODPI-GOSISDBHSA-N 2 1 346.519 3.025 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001714644177 1419417100 /nfs/dbraw/zinc/41/71/00/1419417100.db2.gz KWWXPVQVUAODPI-GOSISDBHSA-N 2 1 346.519 3.025 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@H+]2CCCC2CCC2)CCCCC1 ZINC001733219863 1429339755 /nfs/dbraw/zinc/33/97/55/1429339755.db2.gz ABZWSQOTYKLRMH-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCC1 ZINC001714991723 1419723641 /nfs/dbraw/zinc/72/36/41/1419723641.db2.gz KTIBCCJHAUWYLP-PMACEKPBSA-N 2 1 347.547 3.118 20 0 EGADMP CC[NH2+]C[C@@]1(NC(=O)CC[N@@H+](C)C2CCCCC2)CCCC[C@@H]1C ZINC001715127109 1419873837 /nfs/dbraw/zinc/87/38/37/1419873837.db2.gz IGBFHSJTPLJPSK-PXNSSMCTSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCCCC2)CC1 ZINC001733245100 1429390099 /nfs/dbraw/zinc/39/00/99/1429390099.db2.gz GXNXIZPHDQVRBS-SFHVURJKSA-N 2 1 335.536 3.068 20 0 EGADMP C[N@@H+](CCCC1CCC1)CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001715497891 1420179459 /nfs/dbraw/zinc/17/94/59/1420179459.db2.gz IWJQWDRMJFUAJR-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCCC1CCC1)CCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001715497891 1420179461 /nfs/dbraw/zinc/17/94/61/1420179461.db2.gz IWJQWDRMJFUAJR-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCCC1CCC1)CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001715497891 1420179464 /nfs/dbraw/zinc/17/94/64/1420179464.db2.gz IWJQWDRMJFUAJR-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1cc(C)cc(C)c1 ZINC001715540147 1420237963 /nfs/dbraw/zinc/23/79/63/1420237963.db2.gz RQGAUCTVKGEXAJ-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC001715540147 1420237965 /nfs/dbraw/zinc/23/79/65/1420237965.db2.gz RQGAUCTVKGEXAJ-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC001715540147 1420237967 /nfs/dbraw/zinc/23/79/67/1420237967.db2.gz RQGAUCTVKGEXAJ-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CC2CCCCCC2)C1 ZINC001715548325 1420245082 /nfs/dbraw/zinc/24/50/82/1420245082.db2.gz KXKCNYWPLCZEPR-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC2CCCCCC2)C1 ZINC001715548325 1420245085 /nfs/dbraw/zinc/24/50/85/1420245085.db2.gz KXKCNYWPLCZEPR-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC2CCCCCC2)C1 ZINC001715548325 1420245086 /nfs/dbraw/zinc/24/50/86/1420245086.db2.gz KXKCNYWPLCZEPR-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H](c1ccccc1)[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001716044322 1420507379 /nfs/dbraw/zinc/50/73/79/1420507379.db2.gz LCICULPPKPIZJK-DLBZAZTESA-N 2 1 333.520 3.162 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001716044322 1420507380 /nfs/dbraw/zinc/50/73/80/1420507380.db2.gz LCICULPPKPIZJK-DLBZAZTESA-N 2 1 333.520 3.162 20 0 EGADMP C[C@H](c1ccccc1)[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001716044322 1420507381 /nfs/dbraw/zinc/50/73/81/1420507381.db2.gz LCICULPPKPIZJK-DLBZAZTESA-N 2 1 333.520 3.162 20 0 EGADMP CCc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)cc1 ZINC001716496538 1420721482 /nfs/dbraw/zinc/72/14/82/1420721482.db2.gz XIERNZHWXJIPBQ-QGZVFWFLSA-N 2 1 347.547 3.163 20 0 EGADMP CCc1ccc(C[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001716496538 1420721485 /nfs/dbraw/zinc/72/14/85/1420721485.db2.gz XIERNZHWXJIPBQ-QGZVFWFLSA-N 2 1 347.547 3.163 20 0 EGADMP CCc1ccc(C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001716496538 1420721487 /nfs/dbraw/zinc/72/14/87/1420721487.db2.gz XIERNZHWXJIPBQ-QGZVFWFLSA-N 2 1 347.547 3.163 20 0 EGADMP CC[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C)c1ccc(F)cc1 ZINC001716549399 1420757273 /nfs/dbraw/zinc/75/72/73/1420757273.db2.gz VHUKLGJVRNJWDG-MOPGFXCFSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C(C)C)C1CCCCCC1 ZINC001716713243 1420866503 /nfs/dbraw/zinc/86/65/03/1420866503.db2.gz FNDQOKQXDYRZHW-UHFFFAOYSA-N 2 1 334.508 3.167 20 0 EGADMP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C(C)C)C1CCCCCC1 ZINC001716713243 1420866505 /nfs/dbraw/zinc/86/65/05/1420866505.db2.gz FNDQOKQXDYRZHW-UHFFFAOYSA-N 2 1 334.508 3.167 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C[C@H]1C ZINC001716772057 1420915704 /nfs/dbraw/zinc/91/57/04/1420915704.db2.gz YRJNRKOCOMILJQ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1)CC(C)(C)C ZINC001716784499 1420920477 /nfs/dbraw/zinc/92/04/77/1420920477.db2.gz XQPFSTFLRPJKSW-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@H](CC)c1ccc(F)cc1 ZINC001716788561 1420923224 /nfs/dbraw/zinc/92/32/24/1420923224.db2.gz MFBZFAAUXONCNN-RBUKOAKNSA-N 2 1 349.494 3.199 20 0 EGADMP C[N@@H+](CC(=O)NC[C@]1(C)CCC[NH+](CCCC2CCC2)C1)C1CCC1 ZINC001716895239 1421021628 /nfs/dbraw/zinc/02/16/28/1421021628.db2.gz GEVCAFMUGPYYOI-NRFANRHFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NC[C@]1(C)CCC[N@H+](CCCC2CCC2)C1)C1CCC1 ZINC001716895239 1421021631 /nfs/dbraw/zinc/02/16/31/1421021631.db2.gz GEVCAFMUGPYYOI-NRFANRHFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NC[C@]1(C)CCC[N@@H+](CCCC2CCC2)C1)C1CCC1 ZINC001716895239 1421021633 /nfs/dbraw/zinc/02/16/33/1421021633.db2.gz GEVCAFMUGPYYOI-NRFANRHFSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CCC[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001717145484 1421137977 /nfs/dbraw/zinc/13/79/77/1421137977.db2.gz RCFMYJHJVDZMGE-GOSISDBHSA-N 2 1 348.535 3.413 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+](CC(C)C)C1 ZINC001717216425 1421194606 /nfs/dbraw/zinc/19/46/06/1421194606.db2.gz IPHBQBBDFYGWQH-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001717216425 1421194607 /nfs/dbraw/zinc/19/46/07/1421194607.db2.gz IPHBQBBDFYGWQH-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001717216425 1421194608 /nfs/dbraw/zinc/19/46/08/1421194608.db2.gz IPHBQBBDFYGWQH-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001717217082 1421195568 /nfs/dbraw/zinc/19/55/68/1421195568.db2.gz OIYVKPWQVJSTOX-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001717338917 1421276516 /nfs/dbraw/zinc/27/65/16/1421276516.db2.gz FJEHZTGAHLANCT-QUCCMNQESA-N 2 1 343.515 3.032 20 0 EGADMP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)[C@@H](C)c1ccccc1F ZINC001717493245 1421431980 /nfs/dbraw/zinc/43/19/80/1421431980.db2.gz TYVKRFWQBNPMKG-IRXDYDNUSA-N 2 1 349.494 3.055 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C(C)C)C1 ZINC001717561946 1421497678 /nfs/dbraw/zinc/49/76/78/1421497678.db2.gz VWGKTEFYKHVUBD-QGZVFWFLSA-N 2 1 345.531 3.088 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001717705495 1421580219 /nfs/dbraw/zinc/58/02/19/1421580219.db2.gz OLGCXSRFZXHPPX-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001717705495 1421580222 /nfs/dbraw/zinc/58/02/22/1421580222.db2.gz OLGCXSRFZXHPPX-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001717705495 1421580223 /nfs/dbraw/zinc/58/02/23/1421580223.db2.gz OLGCXSRFZXHPPX-MRXNPFEDSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@H+]1CCCC(C)(C)C ZINC001717855157 1421667321 /nfs/dbraw/zinc/66/73/21/1421667321.db2.gz CTVMJBURFYHYMS-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001724554866 1424910396 /nfs/dbraw/zinc/91/03/96/1424910396.db2.gz NVFQSQQUJGFAIA-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001724657292 1425024491 /nfs/dbraw/zinc/02/44/91/1425024491.db2.gz PECMZPLXHJYWGS-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH+](C)Cc1ccccc1C ZINC001724850996 1425213743 /nfs/dbraw/zinc/21/37/43/1425213743.db2.gz JGANBBGGYCWJON-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CCC[N@H+](C)Cc1ccccc1C ZINC001724850996 1425213749 /nfs/dbraw/zinc/21/37/49/1425213749.db2.gz JGANBBGGYCWJON-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1C ZINC001724850996 1425213752 /nfs/dbraw/zinc/21/37/52/1425213752.db2.gz JGANBBGGYCWJON-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001724979981 1425380921 /nfs/dbraw/zinc/38/09/21/1425380921.db2.gz RHPWHUQXCJBZPY-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CCC1CCCC1)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001725025697 1425445103 /nfs/dbraw/zinc/44/51/03/1425445103.db2.gz LGRABMAOIPJONA-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CCC1CCCC1)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001725025697 1425445106 /nfs/dbraw/zinc/44/51/06/1425445106.db2.gz LGRABMAOIPJONA-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](CCC1CCCC1)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001725025697 1425445110 /nfs/dbraw/zinc/44/51/10/1425445110.db2.gz LGRABMAOIPJONA-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C[NH2+]CC1CCCCCC1)C(C)(C)C ZINC001725755922 1426434870 /nfs/dbraw/zinc/43/48/70/1426434870.db2.gz LMVRFDLXLVZMNN-GOSISDBHSA-N 2 1 348.535 3.282 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001731354966 1427295212 /nfs/dbraw/zinc/29/52/12/1427295212.db2.gz NWUHCDADKMCBRK-VQIMIIECSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001731528166 1427517498 /nfs/dbraw/zinc/51/74/98/1427517498.db2.gz XTSYHPVHHINVBT-IBGZPJMESA-N 2 1 337.552 3.127 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCCC1 ZINC001731541092 1427548764 /nfs/dbraw/zinc/54/87/64/1427548764.db2.gz GYXLQSFZIXCAEN-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCCC1 ZINC001731541092 1427548771 /nfs/dbraw/zinc/54/87/71/1427548771.db2.gz GYXLQSFZIXCAEN-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1cc(C)c(C[NH2+][C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)c(C)c1 ZINC001731619438 1427667870 /nfs/dbraw/zinc/66/78/70/1427667870.db2.gz WSYCSACCXMSVHA-GOSISDBHSA-N 2 1 347.547 3.184 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001731697291 1427747754 /nfs/dbraw/zinc/74/77/54/1427747754.db2.gz CUSWKXJEGLYCLE-OALUTQOASA-N 2 1 337.552 3.316 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001731697611 1427748234 /nfs/dbraw/zinc/74/82/34/1427748234.db2.gz LPOSKADJCXSTMS-QZTJIDSGSA-N 2 1 348.535 3.460 20 0 EGADMP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C)cc1C ZINC001731735045 1427815378 /nfs/dbraw/zinc/81/53/78/1427815378.db2.gz CARABNLZJCJXIJ-GOSISDBHSA-N 2 1 347.547 3.266 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001731976155 1428191864 /nfs/dbraw/zinc/19/18/64/1428191864.db2.gz AZABPTSXCFAGKE-KRWDZBQOSA-N 2 1 341.499 3.291 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)CC1 ZINC001733770425 1429999552 /nfs/dbraw/zinc/99/95/52/1429999552.db2.gz RRVBJAPWTNRTIM-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2)CC1 ZINC001733770425 1429999555 /nfs/dbraw/zinc/99/95/55/1429999555.db2.gz RRVBJAPWTNRTIM-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP CC/C=C\CC[N@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc2C1 ZINC001733836544 1430109811 /nfs/dbraw/zinc/10/98/11/1430109811.db2.gz YSGWQODGFKYBBS-AQWUKCDYSA-N 2 1 343.515 3.315 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+](C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001734065888 1437860940 /nfs/dbraw/zinc/86/09/40/1437860940.db2.gz NISGXHAQJIETLW-MOPGFXCFSA-N 2 1 345.531 3.369 20 0 EGADMP Cc1cc(C[NH2+]CC2(NC(=O)[C@H]3CCC[N@@H+]3C)CCCCC2)cs1 ZINC001734091439 1437875566 /nfs/dbraw/zinc/87/55/66/1437875566.db2.gz ZIBUJNSLVKAXQY-QGZVFWFLSA-N 2 1 349.544 3.059 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)CCCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001752038477 1440134559 /nfs/dbraw/zinc/13/45/59/1440134559.db2.gz GXGULLSNYXNGEN-SFHVURJKSA-N 2 1 345.531 3.369 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH+](C)CCC1CCCCC1 ZINC001752121679 1440142458 /nfs/dbraw/zinc/14/24/58/1440142458.db2.gz MOOSEUPFWLZBIQ-HDICACEKSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](C)CCC1CCCCC1 ZINC001752121679 1440142459 /nfs/dbraw/zinc/14/24/59/1440142459.db2.gz MOOSEUPFWLZBIQ-HDICACEKSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@@H+](C)CCC1CCCCC1 ZINC001752121679 1440142461 /nfs/dbraw/zinc/14/24/61/1440142461.db2.gz MOOSEUPFWLZBIQ-HDICACEKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001752146254 1440145966 /nfs/dbraw/zinc/14/59/66/1440145966.db2.gz ZIRAGPBKVMPQDC-IEBWSBKVSA-N 2 1 337.552 3.409 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ccccc1 ZINC001752159014 1440148158 /nfs/dbraw/zinc/14/81/58/1440148158.db2.gz YIPQGEXTWNHFST-QUCCMNQESA-N 2 1 345.531 3.278 20 0 EGADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)Cc1ccc(F)cc1 ZINC001752230247 1440158402 /nfs/dbraw/zinc/15/84/02/1440158402.db2.gz SMSUWQHIUUFJKS-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC)Cc1ccc(F)cc1 ZINC001752230247 1440158404 /nfs/dbraw/zinc/15/84/04/1440158404.db2.gz SMSUWQHIUUFJKS-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1CC)Cc1ccc(F)cc1 ZINC001752230247 1440158407 /nfs/dbraw/zinc/15/84/07/1440158407.db2.gz SMSUWQHIUUFJKS-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001752405584 1440174054 /nfs/dbraw/zinc/17/40/54/1440174054.db2.gz XZOAZWGGUMHISS-DPZZJQGRSA-N 2 1 347.547 3.045 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001752411459 1440174288 /nfs/dbraw/zinc/17/42/88/1440174288.db2.gz BTGSTUWQRWAEGJ-IBGZPJMESA-N 2 1 335.536 3.023 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C1)c1ccccc1 ZINC001752683576 1440199838 /nfs/dbraw/zinc/19/98/38/1440199838.db2.gz ZEWBJGBVZXNPNT-GUDVDZBRSA-N 2 1 345.531 3.352 20 0 EGADMP CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001752804849 1440215534 /nfs/dbraw/zinc/21/55/34/1440215534.db2.gz UAQICZWVGNKOCM-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001752827364 1440224127 /nfs/dbraw/zinc/22/41/27/1440224127.db2.gz AIMAIMSPSVQPJE-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NC1CCC([NH2+]Cc2ccccc2)CC1 ZINC001752851004 1440233498 /nfs/dbraw/zinc/23/34/98/1440233498.db2.gz WGVAMNZZPMWPFV-MHJFOBGBSA-N 2 1 343.515 3.078 20 0 EGADMP CC(C)CC[NH2+]C1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001752852891 1440234050 /nfs/dbraw/zinc/23/40/50/1440234050.db2.gz VKJZZQYNRYEWGO-UHFFFAOYSA-N 2 1 325.541 3.027 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+]Cc2c(C)cccc2C)CC1 ZINC001752854665 1440234520 /nfs/dbraw/zinc/23/45/20/1440234520.db2.gz QQPUEFPQOIXACT-UHFFFAOYSA-N 2 1 345.531 3.162 20 0 EGADMP CCCCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001752855053 1440234768 /nfs/dbraw/zinc/23/47/68/1440234768.db2.gz GUAXYTBZXHKDCN-ACBHZAAOSA-N 2 1 337.552 3.458 20 0 EGADMP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001752940535 1440250923 /nfs/dbraw/zinc/25/09/23/1440250923.db2.gz PYJALTMILYDCKO-QUCCMNQESA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001752996361 1440261999 /nfs/dbraw/zinc/26/19/99/1440261999.db2.gz LMWLFZRRIKYCAU-HXUWFJFHSA-N 2 1 345.531 3.127 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001752998047 1440263062 /nfs/dbraw/zinc/26/30/62/1440263062.db2.gz YDBRBDFZILNLSG-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001752998047 1440263063 /nfs/dbraw/zinc/26/30/63/1440263063.db2.gz YDBRBDFZILNLSG-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001752998047 1440263064 /nfs/dbraw/zinc/26/30/64/1440263064.db2.gz YDBRBDFZILNLSG-SJORKVTESA-N 2 1 349.494 3.151 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CCC1 ZINC001753039910 1440276098 /nfs/dbraw/zinc/27/60/98/1440276098.db2.gz MQVSEXZQHWAHQK-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCC1 ZINC001753039910 1440276099 /nfs/dbraw/zinc/27/60/99/1440276099.db2.gz MQVSEXZQHWAHQK-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC1CCC1 ZINC001753039910 1440276100 /nfs/dbraw/zinc/27/61/00/1440276100.db2.gz MQVSEXZQHWAHQK-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@H+](C)CC1CCC(C)CC1 ZINC001753049692 1440278652 /nfs/dbraw/zinc/27/86/52/1440278652.db2.gz MWPPEKQREZYKAP-ADKAHSJRSA-N 2 1 348.535 3.271 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@@H+](C)CC1CCC(C)CC1 ZINC001753049692 1440278653 /nfs/dbraw/zinc/27/86/53/1440278653.db2.gz MWPPEKQREZYKAP-ADKAHSJRSA-N 2 1 348.535 3.271 20 0 EGADMP CC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)[C@H](C)c1ccccc1F ZINC001753091034 1440299049 /nfs/dbraw/zinc/29/90/49/1440299049.db2.gz GOOWISQCMZQKIT-MRXNPFEDSA-N 2 1 349.494 3.057 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+]2CCC[C@@H]2CNC(=O)C[N@H+](C)C(C)C)c1 ZINC001753118418 1440312521 /nfs/dbraw/zinc/31/25/21/1440312521.db2.gz HUOXKKIXWVOIOA-RTBURBONSA-N 2 1 345.531 3.285 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+]2CCC[C@@H]2CNC(=O)C[NH+](C)C(C)C)c1 ZINC001753118418 1440312522 /nfs/dbraw/zinc/31/25/22/1440312522.db2.gz HUOXKKIXWVOIOA-RTBURBONSA-N 2 1 345.531 3.285 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@@H+]2CCC[C@@H]2CNC(=O)C[NH+](C)C(C)C)c1 ZINC001753118418 1440312523 /nfs/dbraw/zinc/31/25/23/1440312523.db2.gz HUOXKKIXWVOIOA-RTBURBONSA-N 2 1 345.531 3.285 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001753139303 1440320401 /nfs/dbraw/zinc/32/04/01/1440320401.db2.gz YPDREBQYTZQAMN-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001753139303 1440320402 /nfs/dbraw/zinc/32/04/02/1440320402.db2.gz YPDREBQYTZQAMN-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001753139303 1440320403 /nfs/dbraw/zinc/32/04/03/1440320403.db2.gz YPDREBQYTZQAMN-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)CC1CC(C)C1 ZINC001753285623 1440348764 /nfs/dbraw/zinc/34/87/64/1440348764.db2.gz RVWZDIJQRCLIQO-CTWPCTMYSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)CC1CC(C)C1 ZINC001753285623 1440348765 /nfs/dbraw/zinc/34/87/65/1440348765.db2.gz RVWZDIJQRCLIQO-CTWPCTMYSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)CC1CC(C)C1 ZINC001753285623 1440348766 /nfs/dbraw/zinc/34/87/66/1440348766.db2.gz RVWZDIJQRCLIQO-CTWPCTMYSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)=CC[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001753288474 1440349567 /nfs/dbraw/zinc/34/95/67/1440349567.db2.gz QYNKKLGJEXRSBR-UHFFFAOYSA-N 2 1 342.487 3.439 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC1CCC1 ZINC001753293037 1440351110 /nfs/dbraw/zinc/35/11/10/1440351110.db2.gz VNDBGQASMKFKJQ-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CCCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+](C(C)C)C1 ZINC001753316076 1440359791 /nfs/dbraw/zinc/35/97/91/1440359791.db2.gz KWRXBJOJGAODBY-QUCCMNQESA-N 2 1 349.563 3.362 20 0 EGADMP CCCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CC[NH+](C(C)C)C1 ZINC001753316076 1440359792 /nfs/dbraw/zinc/35/97/92/1440359792.db2.gz KWRXBJOJGAODBY-QUCCMNQESA-N 2 1 349.563 3.362 20 0 EGADMP CCCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+](C(C)C)C1 ZINC001753316076 1440359793 /nfs/dbraw/zinc/35/97/93/1440359793.db2.gz KWRXBJOJGAODBY-QUCCMNQESA-N 2 1 349.563 3.362 20 0 EGADMP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001753326693 1440367160 /nfs/dbraw/zinc/36/71/60/1440367160.db2.gz IJGSHYGKDJOYPI-VQIMIIECSA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001753341411 1440375656 /nfs/dbraw/zinc/37/56/56/1440375656.db2.gz XLJBMVRKPBYDKA-UYAOXDASSA-N 2 1 343.515 3.084 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001753341411 1440375657 /nfs/dbraw/zinc/37/56/57/1440375657.db2.gz XLJBMVRKPBYDKA-UYAOXDASSA-N 2 1 343.515 3.084 20 0 EGADMP C[NH+](CC(=O)N1CC[C@@H](C[N@@H+](C)CCC(C)(C)C)C1)CC(C)(C)C ZINC001753355390 1440379790 /nfs/dbraw/zinc/37/97/90/1440379790.db2.gz HOQQDSZAENUTLP-KRWDZBQOSA-N 2 1 339.568 3.181 20 0 EGADMP C[NH+](CCC(C)(C)C)C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001753355390 1440379791 /nfs/dbraw/zinc/37/97/91/1440379791.db2.gz HOQQDSZAENUTLP-KRWDZBQOSA-N 2 1 339.568 3.181 20 0 EGADMP C[NH+](CCC(C)(C)C)C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001753355390 1440379792 /nfs/dbraw/zinc/37/97/92/1440379792.db2.gz HOQQDSZAENUTLP-KRWDZBQOSA-N 2 1 339.568 3.181 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001753444544 1440402999 /nfs/dbraw/zinc/40/29/99/1440402999.db2.gz SWJBCAOAYKQYGM-HKUYNNGSSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001753444544 1440403000 /nfs/dbraw/zinc/40/30/00/1440403000.db2.gz SWJBCAOAYKQYGM-HKUYNNGSSA-N 2 1 345.531 3.258 20 0 EGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001753444544 1440403001 /nfs/dbraw/zinc/40/30/01/1440403001.db2.gz SWJBCAOAYKQYGM-HKUYNNGSSA-N 2 1 345.531 3.258 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2C(C)C)C1 ZINC001753447761 1440404736 /nfs/dbraw/zinc/40/47/36/1440404736.db2.gz FYNVPEGEARIFFI-LJQANCHMSA-N 2 1 345.531 3.185 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2C(C)C)C1 ZINC001753447761 1440404737 /nfs/dbraw/zinc/40/47/37/1440404737.db2.gz FYNVPEGEARIFFI-LJQANCHMSA-N 2 1 345.531 3.185 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2C(C)C)C1 ZINC001753447761 1440404738 /nfs/dbraw/zinc/40/47/38/1440404738.db2.gz FYNVPEGEARIFFI-LJQANCHMSA-N 2 1 345.531 3.185 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001753450196 1440405631 /nfs/dbraw/zinc/40/56/31/1440405631.db2.gz ODXJSPVULNPISS-AZUAARDMSA-N 2 1 343.515 3.156 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(CC[NH2+]CC3CCCCC3)CC2)C1 ZINC001753576726 1440439408 /nfs/dbraw/zinc/43/94/08/1440439408.db2.gz FRCWFLCBBDOGPA-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC(CC[NH2+]CCC2=CCCCC2)CC1 ZINC001753577406 1440439482 /nfs/dbraw/zinc/43/94/82/1440439482.db2.gz BXBBYXUKBMKFTQ-UHFFFAOYSA-N 2 1 349.563 3.435 20 0 EGADMP C[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)C[NH2+]CCC(C)(C)C ZINC001753644717 1440455416 /nfs/dbraw/zinc/45/54/16/1440455416.db2.gz LMRCLVRZQWWBKI-WMZOPIPTSA-N 2 1 333.520 3.067 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCC1 ZINC001753664752 1440459846 /nfs/dbraw/zinc/45/98/46/1440459846.db2.gz BBDVKLRDNGZYNY-ZWKOTPCHSA-N 2 1 337.552 3.172 20 0 EGADMP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C1CCC1)c1ccc(F)cc1 ZINC001753695901 1440467488 /nfs/dbraw/zinc/46/74/88/1440467488.db2.gz AKDNEGOKUDZPAA-HNAYVOBHSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1=CCCCC1 ZINC001753726074 1440474407 /nfs/dbraw/zinc/47/44/07/1440474407.db2.gz MAHIJFDRVJSDQE-HKUYNNGSSA-N 2 1 335.536 3.186 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CCCCC1 ZINC001753744697 1440480474 /nfs/dbraw/zinc/48/04/74/1440480474.db2.gz MOSVWMFNKTUPAA-UXHICEINSA-N 2 1 347.547 3.236 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCCC2CCCC2)C1 ZINC001753788404 1440488551 /nfs/dbraw/zinc/48/85/51/1440488551.db2.gz NWXVYKLTZZFJTQ-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001753852915 1440507664 /nfs/dbraw/zinc/50/76/64/1440507664.db2.gz DYQUFCWHHWTUBK-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001753852915 1440507665 /nfs/dbraw/zinc/50/76/65/1440507665.db2.gz DYQUFCWHHWTUBK-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001753852915 1440507666 /nfs/dbraw/zinc/50/76/66/1440507666.db2.gz DYQUFCWHHWTUBK-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001753869150 1440516464 /nfs/dbraw/zinc/51/64/64/1440516464.db2.gz IXMAOARXIHYUJP-IBGZPJMESA-N 2 1 345.531 3.404 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001754045548 1440535135 /nfs/dbraw/zinc/53/51/35/1440535135.db2.gz SPZJFBWCRADLHF-MJGOQNOKSA-N 2 1 331.504 3.059 20 0 EGADMP CCN(CC[NH2+]CC1CCCCC1)C(=O)Cn1cc[nH+]c1C(C)C ZINC001754069969 1440538094 /nfs/dbraw/zinc/53/80/94/1440538094.db2.gz PMLFSTNLEJVJPM-UHFFFAOYSA-N 2 1 334.508 3.025 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001754452636 1440601483 /nfs/dbraw/zinc/60/14/83/1440601483.db2.gz HAWCQOOUQKLIRC-OALUTQOASA-N 2 1 349.563 3.170 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001754482730 1440607769 /nfs/dbraw/zinc/60/77/69/1440607769.db2.gz RHHQJCCITVTLOE-FUHWJXTLSA-N 2 1 346.519 3.167 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001754482730 1440607770 /nfs/dbraw/zinc/60/77/70/1440607770.db2.gz RHHQJCCITVTLOE-FUHWJXTLSA-N 2 1 346.519 3.167 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@H](C)c1ccc(C(C)C)cc1 ZINC001754495907 1440612380 /nfs/dbraw/zinc/61/23/80/1440612380.db2.gz AVJBSURGQGNJGA-YLJYHZDGSA-N 2 1 345.531 3.403 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)c1ccc(C(C)C)cc1 ZINC001754495907 1440612381 /nfs/dbraw/zinc/61/23/81/1440612381.db2.gz AVJBSURGQGNJGA-YLJYHZDGSA-N 2 1 345.531 3.403 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)c1ccc(C(C)C)cc1 ZINC001754495907 1440612382 /nfs/dbraw/zinc/61/23/82/1440612382.db2.gz AVJBSURGQGNJGA-YLJYHZDGSA-N 2 1 345.531 3.403 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@H](C)c1cc(C)ccc1C ZINC001754499777 1440613788 /nfs/dbraw/zinc/61/37/88/1440613788.db2.gz DPUUIGJMBQGSED-RTBURBONSA-N 2 1 345.531 3.287 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)c1cc(C)ccc1C ZINC001754499777 1440613789 /nfs/dbraw/zinc/61/37/89/1440613789.db2.gz DPUUIGJMBQGSED-RTBURBONSA-N 2 1 345.531 3.287 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)c1cc(C)ccc1C ZINC001754499777 1440613790 /nfs/dbraw/zinc/61/37/90/1440613790.db2.gz DPUUIGJMBQGSED-RTBURBONSA-N 2 1 345.531 3.287 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001754504058 1440615540 /nfs/dbraw/zinc/61/55/40/1440615540.db2.gz CMKNPGOLRJKJLA-CQQBRXBZSA-N 2 1 335.536 3.044 20 0 EGADMP CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001754537675 1440624997 /nfs/dbraw/zinc/62/49/97/1440624997.db2.gz CHSODZVHLHRQTH-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)CC[N@H+](C)CCC)CC2)C1 ZINC001754537675 1440624998 /nfs/dbraw/zinc/62/49/98/1440624998.db2.gz CHSODZVHLHRQTH-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CCCC[NH+]1CC[C@@H](C2CCN(C(=O)CC[N@@H+](C)CCC)CC2)C1 ZINC001754537675 1440624999 /nfs/dbraw/zinc/62/49/99/1440624999.db2.gz CHSODZVHLHRQTH-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP O=C(NCC[N@@H+](CC1CCC1)C1CCCCCC1)C12CC[NH+](CC1)C2 ZINC001754547983 1440628528 /nfs/dbraw/zinc/62/85/28/1440628528.db2.gz ZNVGPZGYVZDSKA-UHFFFAOYSA-N 2 1 347.547 3.023 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C[C@@H]1C ZINC001754600921 1440642450 /nfs/dbraw/zinc/64/24/50/1440642450.db2.gz JGDAQQAFBYIGDV-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001754673525 1440659063 /nfs/dbraw/zinc/65/90/63/1440659063.db2.gz BUSVQWXAMWWOLI-APGBAIEXSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001754673525 1440659064 /nfs/dbraw/zinc/65/90/64/1440659064.db2.gz BUSVQWXAMWWOLI-APGBAIEXSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001754673525 1440659065 /nfs/dbraw/zinc/65/90/65/1440659065.db2.gz BUSVQWXAMWWOLI-APGBAIEXSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001754677059 1440660487 /nfs/dbraw/zinc/66/04/87/1440660487.db2.gz YYLZCLDRVJXXDH-XLIONFOSSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001754677059 1440660488 /nfs/dbraw/zinc/66/04/88/1440660488.db2.gz YYLZCLDRVJXXDH-XLIONFOSSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001754677059 1440660489 /nfs/dbraw/zinc/66/04/89/1440660489.db2.gz YYLZCLDRVJXXDH-XLIONFOSSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@]1(NC(=O)CCC[NH+]2CCCC2)CC[N@@H+](CCCC2CCC2)C1 ZINC001754681704 1440662721 /nfs/dbraw/zinc/66/27/21/1440662721.db2.gz DWBBFNGMPOQEJW-HXUWFJFHSA-N 2 1 335.536 3.023 20 0 EGADMP CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001754703175 1440668360 /nfs/dbraw/zinc/66/83/60/1440668360.db2.gz JVNGRAIKPGUBPC-PZJWPPBQSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC2CCCC2)CC1 ZINC001754716787 1440671752 /nfs/dbraw/zinc/67/17/52/1440671752.db2.gz ZRHGWOPFWHXQDE-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[NH+]1CCC(C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001754718172 1440672219 /nfs/dbraw/zinc/67/22/19/1440672219.db2.gz SCCGDJZZVZJMGJ-SFHVURJKSA-N 2 1 335.536 3.045 20 0 EGADMP CCCCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001754783572 1440686959 /nfs/dbraw/zinc/68/69/59/1440686959.db2.gz OKGAQYISQUZZBD-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1 ZINC001754831828 1440695854 /nfs/dbraw/zinc/69/58/54/1440695854.db2.gz QEBVXSKAQREJSO-GGPHIMKMSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001754838653 1440697321 /nfs/dbraw/zinc/69/73/21/1440697321.db2.gz MCLXYXFVXLSFBK-WOJBJXKFSA-N 2 1 343.515 3.030 20 0 EGADMP C[N@@H+](CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CC1)C1CCCCC1 ZINC001754868761 1440704202 /nfs/dbraw/zinc/70/42/02/1440704202.db2.gz PUDAVQIXUXCEHB-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC1)C1CCCCC1 ZINC001754868761 1440704203 /nfs/dbraw/zinc/70/42/03/1440704203.db2.gz PUDAVQIXUXCEHB-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC1)C1CCCCC1 ZINC001754868761 1440704204 /nfs/dbraw/zinc/70/42/04/1440704204.db2.gz PUDAVQIXUXCEHB-WOJBJXKFSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]([NH2+]CCC1CC1)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001754948831 1440714269 /nfs/dbraw/zinc/71/42/69/1440714269.db2.gz QCWMCBLAMIXQPS-IAGOWNOFSA-N 2 1 343.515 3.095 20 0 EGADMP CCC(CC)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001754951434 1440715123 /nfs/dbraw/zinc/71/51/23/1440715123.db2.gz SYZDPGQJCHWWQW-UZLBHIALSA-N 2 1 345.531 3.341 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)CCC[N@@H+](C)CC[C@@H]1CCC[C@H](C)C1 ZINC001755038927 1440736026 /nfs/dbraw/zinc/73/60/26/1440736026.db2.gz KMCQFVCQUJJMLS-HKUYNNGSSA-N 2 1 348.535 3.188 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)CCC[N@H+](C)CC[C@@H]1CCC[C@H](C)C1 ZINC001755038927 1440736027 /nfs/dbraw/zinc/73/60/27/1440736027.db2.gz KMCQFVCQUJJMLS-HKUYNNGSSA-N 2 1 348.535 3.188 20 0 EGADMP CN(CCC[N@@H+](C)CCC1=CCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001755046190 1440741155 /nfs/dbraw/zinc/74/11/55/1440741155.db2.gz XTGLMGNJDABMJA-UHFFFAOYSA-N 2 1 349.563 3.389 20 0 EGADMP CC[C@@H](C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001755130971 1440757163 /nfs/dbraw/zinc/75/71/63/1440757163.db2.gz YGUIYYAVCMEBQT-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001755132489 1440757508 /nfs/dbraw/zinc/75/75/08/1440757508.db2.gz DBLSPCIZQXBIKU-UHFFFAOYSA-N 2 1 348.535 3.413 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001755142758 1440761491 /nfs/dbraw/zinc/76/14/91/1440761491.db2.gz FELDMLYQCAEVHM-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CCC1CCCC1 ZINC001755162449 1440765242 /nfs/dbraw/zinc/76/52/42/1440765242.db2.gz VFNHGHHIFGMZNB-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CCCCCC2)[C@H](C)C1 ZINC001755165144 1440766668 /nfs/dbraw/zinc/76/66/68/1440766668.db2.gz GCWNFDPLERAQQN-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)[C@H](C)C1 ZINC001755165144 1440766669 /nfs/dbraw/zinc/76/66/69/1440766669.db2.gz GCWNFDPLERAQQN-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)[C@H](C)C1 ZINC001755165144 1440766670 /nfs/dbraw/zinc/76/66/70/1440766670.db2.gz GCWNFDPLERAQQN-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001755204656 1440781791 /nfs/dbraw/zinc/78/17/91/1440781791.db2.gz MBZXZHFLKQPNNI-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCC1CCCC1 ZINC001755255218 1440792978 /nfs/dbraw/zinc/79/29/78/1440792978.db2.gz DQEFJXWLPIICJL-HOTGVXAUSA-N 2 1 334.508 3.070 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001755262497 1440795000 /nfs/dbraw/zinc/79/50/00/1440795000.db2.gz KXVLYWHUBOQXSS-DLBZAZTESA-N 2 1 341.499 3.164 20 0 EGADMP CN(CC(C)(C)C[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001755277365 1440799476 /nfs/dbraw/zinc/79/94/76/1440799476.db2.gz JCJFPHGKWWGSOP-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H]2CCC[NH+]2C(C)C)c1 ZINC001755300528 1440808288 /nfs/dbraw/zinc/80/82/88/1440808288.db2.gz RQAQDRHCLRYOOE-YLJYHZDGSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1cccc(C[NH+](C)[C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001755300528 1440808289 /nfs/dbraw/zinc/80/82/89/1440808289.db2.gz RQAQDRHCLRYOOE-YLJYHZDGSA-N 2 1 345.531 3.058 20 0 EGADMP CCc1cccc(C[NH+](C)[C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001755300528 1440808290 /nfs/dbraw/zinc/80/82/90/1440808290.db2.gz RQAQDRHCLRYOOE-YLJYHZDGSA-N 2 1 345.531 3.058 20 0 EGADMP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@@H+](C)Cc1cccc(F)c1 ZINC001755320114 1440817923 /nfs/dbraw/zinc/81/79/23/1440817923.db2.gz NTBJJAMMGVIRQA-SJORKVTESA-N 2 1 349.494 3.027 20 0 EGADMP CCc1ccccc1C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001755329171 1440823648 /nfs/dbraw/zinc/82/36/48/1440823648.db2.gz XMCWGBCNFRSVBH-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001755329171 1440823649 /nfs/dbraw/zinc/82/36/49/1440823649.db2.gz XMCWGBCNFRSVBH-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001755329171 1440823650 /nfs/dbraw/zinc/82/36/50/1440823650.db2.gz XMCWGBCNFRSVBH-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@H+](C)CC1CCCCC1 ZINC001755329338 1440823658 /nfs/dbraw/zinc/82/36/58/1440823658.db2.gz YPJLAPUFJDHSHU-PXNSSMCTSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@@H+](C)CC1CCCCC1 ZINC001755329338 1440823659 /nfs/dbraw/zinc/82/36/59/1440823659.db2.gz YPJLAPUFJDHSHU-PXNSSMCTSA-N 2 1 345.531 3.306 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CC)C[C@@]2(C)C1 ZINC001755460742 1440857384 /nfs/dbraw/zinc/85/73/84/1440857384.db2.gz MNQULZXJKUUXLK-QIAVYIFCSA-N 2 1 349.563 3.245 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@]2(C)CN(C(=O)CC[N@H+](C)CC)C[C@@]2(C)C1 ZINC001755460742 1440857385 /nfs/dbraw/zinc/85/73/85/1440857385.db2.gz MNQULZXJKUUXLK-QIAVYIFCSA-N 2 1 349.563 3.245 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@]2(C)CN(C(=O)CC[N@@H+](C)CC)C[C@@]2(C)C1 ZINC001755460742 1440857386 /nfs/dbraw/zinc/85/73/86/1440857386.db2.gz MNQULZXJKUUXLK-QIAVYIFCSA-N 2 1 349.563 3.245 20 0 EGADMP CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001755472183 1440858993 /nfs/dbraw/zinc/85/89/93/1440858993.db2.gz ONKJWKIZBNVRNF-QWFCFKBJSA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001755483706 1440860630 /nfs/dbraw/zinc/86/06/30/1440860630.db2.gz SPCMHEPIUXOELW-UFYCRDLUSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CCCCC1 ZINC001755498630 1440862394 /nfs/dbraw/zinc/86/23/94/1440862394.db2.gz MPFAZQBMFMDSCV-PKOBYXMFSA-N 2 1 337.552 3.314 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](C)CC2CCCCCC2)CC1 ZINC001755535164 1440869053 /nfs/dbraw/zinc/86/90/53/1440869053.db2.gz DJRZUFBXDABRPU-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@H+](C)CC2CCCCCC2)CC1 ZINC001755535164 1440869054 /nfs/dbraw/zinc/86/90/54/1440869054.db2.gz DJRZUFBXDABRPU-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](C)CC2CCCCCC2)CC1 ZINC001755535164 1440869055 /nfs/dbraw/zinc/86/90/55/1440869055.db2.gz DJRZUFBXDABRPU-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H](C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001755566914 1440875980 /nfs/dbraw/zinc/87/59/80/1440875980.db2.gz DFUGDLWGHHZHGI-FXAWDEMLSA-N 2 1 347.547 3.045 20 0 EGADMP CCc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001755587613 1440880700 /nfs/dbraw/zinc/88/07/00/1440880700.db2.gz HQHPIHAGEWUVJD-XLIONFOSSA-N 2 1 345.531 3.058 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001755618348 1440889659 /nfs/dbraw/zinc/88/96/59/1440889659.db2.gz KFEMXFANDLRVRQ-QGZVFWFLSA-N 2 1 347.547 3.261 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CC)cc2)[C@H]1C ZINC001755662457 1440892833 /nfs/dbraw/zinc/89/28/33/1440892833.db2.gz DQHLPVLBEZSCPE-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C)cc1 ZINC001755667511 1440893662 /nfs/dbraw/zinc/89/36/62/1440893662.db2.gz VVGCZPJLNIDVLD-FXAWDEMLSA-N 2 1 345.531 3.229 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cc(C)ccc2C)C1 ZINC001755746344 1440912464 /nfs/dbraw/zinc/91/24/64/1440912464.db2.gz HDXBSFPYAVOCQQ-ICSRJNTNSA-N 2 1 345.531 3.020 20 0 EGADMP Cc1cccc(C[N@H+](C)CCN(C(=O)C2(C[NH+](C)C)CC2)C(C)C)c1 ZINC001755812994 1440921537 /nfs/dbraw/zinc/92/15/37/1440921537.db2.gz WVDBMZHMRKTAQG-UHFFFAOYSA-N 2 1 345.531 3.006 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C(C)(C)C ZINC001755825459 1440927002 /nfs/dbraw/zinc/92/70/02/1440927002.db2.gz SVICSAOLLCSXDT-SJORKVTESA-N 2 1 339.568 3.418 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@H](C[NH2+]CCCF)C(C)(C)C ZINC001755827408 1440927774 /nfs/dbraw/zinc/92/77/74/1440927774.db2.gz LAQAMGYOBCRVBZ-MRXNPFEDSA-N 2 1 343.531 3.120 20 0 EGADMP Cc1[nH+]c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc2[nH]ccc21 ZINC001164727626 720425048 /nfs/dbraw/zinc/42/50/48/720425048.db2.gz DTHZDVMKXBQQKD-MOPGFXCFSA-N 2 1 333.439 3.120 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000368531042 168369194 /nfs/dbraw/zinc/36/91/94/168369194.db2.gz SDYKAFBJIQXQGT-JBACZVJFSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000368531042 168369195 /nfs/dbraw/zinc/36/91/95/168369195.db2.gz SDYKAFBJIQXQGT-JBACZVJFSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CC[C@H](NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000368531042 168369196 /nfs/dbraw/zinc/36/91/96/168369196.db2.gz SDYKAFBJIQXQGT-JBACZVJFSA-N 3 1 329.532 3.219 20 0 EGADMP CC[C@@H]1Oc2cc([C@H](C)[NH2+]CCC[NH+](CC)CC)ccc2NC1=O ZINC000191608782 529474899 /nfs/dbraw/zinc/47/48/99/529474899.db2.gz DDCKGOKPCORNRU-YOEHRIQHSA-N 2 1 333.476 3.179 20 0 EGADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc2c(c1)CCO2 ZINC000154486172 529595866 /nfs/dbraw/zinc/59/58/66/529595866.db2.gz CJNCJIAQHARLJU-FQEVSTJZSA-N 2 1 345.531 3.080 20 0 EGADMP CN(c1ccccc1C[N@@H+](C)Cc1ccncc1)C1CC[NH+](C)CC1 ZINC000183749201 530011099 /nfs/dbraw/zinc/01/10/99/530011099.db2.gz YWQFLYUXMKBTDL-UHFFFAOYSA-N 2 1 338.499 3.244 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccsc1 ZINC000178414881 232160464 /nfs/dbraw/zinc/16/04/64/232160464.db2.gz HXKVOIGIVONPIA-MRXNPFEDSA-N 2 1 329.513 3.346 20 0 EGADMP Cc1ncsc1C[NH+](C)C/C=C/C[N@H+](C)Cc1scnc1C ZINC000066562659 215054266 /nfs/dbraw/zinc/05/42/66/215054266.db2.gz DYTVIBCYKIKQPX-AATRIKPKSA-N 2 1 336.530 3.336 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000069045887 215355746 /nfs/dbraw/zinc/35/57/46/215355746.db2.gz FBDZSRJYZCEBAJ-IBGZPJMESA-N 2 1 343.515 3.133 20 0 EGADMP C[C@H]1CCC[C@](C[NH2+]C2CCN(c3ccccn3)CC2)([NH+](C)C)C1 ZINC000129429330 223055119 /nfs/dbraw/zinc/05/51/19/223055119.db2.gz YFTUUYQWKIHGKQ-PXNSSMCTSA-N 2 1 330.520 3.151 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000130887005 223185083 /nfs/dbraw/zinc/18/50/83/223185083.db2.gz KLWNOPONLBABQG-CYBMUJFWSA-N 2 1 334.851 3.194 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000130887005 223185086 /nfs/dbraw/zinc/18/50/86/223185086.db2.gz KLWNOPONLBABQG-CYBMUJFWSA-N 2 1 334.851 3.194 20 0 EGADMP COC(=O)[C@@H](c1ccccc1C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370004666 291286838 /nfs/dbraw/zinc/28/68/38/291286838.db2.gz FTOQXUOSVIOFQQ-GOSISDBHSA-N 2 1 330.472 3.017 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000341856684 241640424 /nfs/dbraw/zinc/64/04/24/241640424.db2.gz ZFRXDFULEFNEBX-LPHOPBHVSA-N 2 1 329.488 3.055 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)sc1Cl ZINC000154987592 296146541 /nfs/dbraw/zinc/14/65/41/296146541.db2.gz WENZVFFFCWGXPJ-WDEREUQCSA-N 2 1 336.332 3.341 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCc3ccc4ccccc4c3)C2)CC1 ZINC000265122765 247224893 /nfs/dbraw/zinc/22/48/93/247224893.db2.gz FYQQZLLYRXTHIY-QFIPXVFZSA-N 2 1 337.511 3.094 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C/C=C/c3ccc(F)c(F)c3)C2)CC1 ZINC000377613812 169048015 /nfs/dbraw/zinc/04/80/15/169048015.db2.gz FVXYVLXHJILYLR-WHLIDYPQSA-N 2 1 349.469 3.078 20 0 EGADMP CCOc1c(OC)cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OC ZINC000377634308 169052503 /nfs/dbraw/zinc/05/25/03/169052503.db2.gz ZRXBWQLBLXBTMX-SJPCQFCGSA-N 2 1 348.487 3.160 20 0 EGADMP CCOc1c(OC)cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OC ZINC000377634308 169052505 /nfs/dbraw/zinc/05/25/05/169052505.db2.gz ZRXBWQLBLXBTMX-SJPCQFCGSA-N 2 1 348.487 3.160 20 0 EGADMP CCOc1c(OC)cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000377634308 169052507 /nfs/dbraw/zinc/05/25/07/169052507.db2.gz ZRXBWQLBLXBTMX-SJPCQFCGSA-N 2 1 348.487 3.160 20 0 EGADMP CCOc1c(OC)cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000377634308 169052509 /nfs/dbraw/zinc/05/25/09/169052509.db2.gz ZRXBWQLBLXBTMX-SJPCQFCGSA-N 2 1 348.487 3.160 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]CC3(SC)CC3)CC2)cs1 ZINC000377660802 169056121 /nfs/dbraw/zinc/05/61/21/169056121.db2.gz ZXPJEDXDYBMVDW-UHFFFAOYSA-N 2 1 339.574 3.403 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(-c2ccccc2)no1 ZINC000378251437 169091856 /nfs/dbraw/zinc/09/18/56/169091856.db2.gz WNWLILHJXVBYNG-UXPWSPDFSA-N 2 1 341.455 3.025 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(-c2ccccc2)no1 ZINC000378251437 169091859 /nfs/dbraw/zinc/09/18/59/169091859.db2.gz WNWLILHJXVBYNG-UXPWSPDFSA-N 2 1 341.455 3.025 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000091739237 218055512 /nfs/dbraw/zinc/05/55/12/218055512.db2.gz DZINLOALWJNYNF-QWQRMKEZSA-N 2 1 331.435 3.342 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3ccccn3)CC2)cc1 ZINC000095419139 218359641 /nfs/dbraw/zinc/35/96/41/218359641.db2.gz AFBPKXOMEWYJAH-UHFFFAOYSA-N 2 1 327.447 3.060 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccsc1 ZINC000267401116 251024083 /nfs/dbraw/zinc/02/40/83/251024083.db2.gz ZPVDKTAPNYWCLZ-CRAIPNDOSA-N 2 1 349.544 3.122 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCCC2=O)cc1 ZINC000268771478 252222721 /nfs/dbraw/zinc/22/27/21/252222721.db2.gz LWZBULOFYROHIX-IPELMVKDSA-N 2 1 327.472 3.091 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N2CCCC2=O)cc1 ZINC000268771478 252222723 /nfs/dbraw/zinc/22/27/23/252222723.db2.gz LWZBULOFYROHIX-IPELMVKDSA-N 2 1 327.472 3.091 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1)C(C)C ZINC000106363784 285097954 /nfs/dbraw/zinc/09/79/54/285097954.db2.gz QGZSFEQFZAKWKV-IBGZPJMESA-N 2 1 331.504 3.083 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(Cl)s1 ZINC000349035384 285250982 /nfs/dbraw/zinc/25/09/82/285250982.db2.gz INPWPQUQOVUSEZ-CQSZACIVSA-N 2 1 329.941 3.249 20 0 EGADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000174372727 533453954 /nfs/dbraw/zinc/45/39/54/533453954.db2.gz UWVBOPGGLSNSAM-INIZCTEOSA-N 2 1 332.488 3.361 20 0 EGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132936043 533409821 /nfs/dbraw/zinc/40/98/21/533409821.db2.gz AYGXLKNPFINGJO-IAGOWNOFSA-N 2 1 332.488 3.155 20 0 EGADMP FC(F)(F)c1ccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000246542596 141015288 /nfs/dbraw/zinc/01/52/88/141015288.db2.gz LFPCPGLUSRQGMD-GJZGRUSLSA-N 2 1 328.378 3.301 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CC(C)C)CC2)cc1 ZINC000338051528 141082490 /nfs/dbraw/zinc/08/24/90/141082490.db2.gz YAPIYTHLDRUKQL-UHFFFAOYSA-N 2 1 345.531 3.332 20 0 EGADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000347890724 141211449 /nfs/dbraw/zinc/21/14/49/141211449.db2.gz ASMWUZJCEBFGGG-HOTGVXAUSA-N 2 1 329.419 3.063 20 0 EGADMP C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347935593 141220545 /nfs/dbraw/zinc/22/05/45/141220545.db2.gz PXQVSKZWGQLODS-AEFFLSMTSA-N 2 1 344.499 3.243 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)[C@H](C)[C@@H]2C)cc1 ZINC000356832606 141350944 /nfs/dbraw/zinc/35/09/44/141350944.db2.gz ASBKAXLFPZRQOJ-SJORKVTESA-N 2 1 331.504 3.083 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1 ZINC000356832606 141350946 /nfs/dbraw/zinc/35/09/46/141350946.db2.gz ASBKAXLFPZRQOJ-SJORKVTESA-N 2 1 331.504 3.083 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1 ZINC000356832606 141350948 /nfs/dbraw/zinc/35/09/48/141350948.db2.gz ASBKAXLFPZRQOJ-SJORKVTESA-N 2 1 331.504 3.083 20 0 EGADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173615744 144045102 /nfs/dbraw/zinc/04/51/02/144045102.db2.gz SYJLQYJYTAGLSP-IRXDYDNUSA-N 2 1 331.504 3.023 20 0 EGADMP C[C@H]1CCCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000187922295 144166380 /nfs/dbraw/zinc/16/63/80/144166380.db2.gz QTSHEQUJCJZRTI-SFHVURJKSA-N 2 1 343.515 3.021 20 0 EGADMP COC(=O)c1cccc(Cl)c1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000351860115 144316919 /nfs/dbraw/zinc/31/69/19/144316919.db2.gz YJZYUTPHGCXUPD-UHFFFAOYSA-N 2 1 338.879 3.290 20 0 EGADMP CO[C@]1(C)CCC[NH+](CC(C)C[N@@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000361434288 286160334 /nfs/dbraw/zinc/16/03/34/286160334.db2.gz MJAIBSZWLYMLKD-WOJBJXKFSA-N 2 1 340.552 3.405 20 0 EGADMP CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868604 152159074 /nfs/dbraw/zinc/15/90/74/152159074.db2.gz KXMLUOLCNXTZGT-OAHLLOKOSA-N 2 1 349.544 3.399 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000154552084 152588343 /nfs/dbraw/zinc/58/83/43/152588343.db2.gz UCUJPLZFFGERBJ-OXQOHEQNSA-N 2 1 333.495 3.066 20 0 EGADMP CCN(C)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000191270501 153185348 /nfs/dbraw/zinc/18/53/48/153185348.db2.gz FQTNZNZIZXNYNK-UHFFFAOYSA-N 2 1 330.520 3.424 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCSC3(CCCCC3)C2)CC1 ZINC000191538819 153205569 /nfs/dbraw/zinc/20/55/69/153205569.db2.gz XUODIBQCBOHOEP-UHFFFAOYSA-N 2 1 339.593 3.154 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000192919624 153266026 /nfs/dbraw/zinc/26/60/26/153266026.db2.gz HIJZLNSYXPPCOU-IBGZPJMESA-N 2 1 340.467 3.316 20 0 EGADMP CC1CCN(C(=[NH2+])NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000341624499 155388899 /nfs/dbraw/zinc/38/88/99/155388899.db2.gz GHNLQXXWMUCHTH-LJQANCHMSA-N 2 1 328.504 3.297 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)cn1 ZINC000305803663 154130781 /nfs/dbraw/zinc/13/07/81/154130781.db2.gz FOYZIARBIYWHAP-ZCNNSNEGSA-N 2 1 349.494 3.275 20 0 EGADMP CCn1cc([C@H](C)[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000310080487 154139529 /nfs/dbraw/zinc/13/95/29/154139529.db2.gz IZANHKUNJVBQMO-FXAWDEMLSA-N 2 1 326.488 3.466 20 0 EGADMP CCn1cc([C@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000310080487 154139531 /nfs/dbraw/zinc/13/95/31/154139531.db2.gz IZANHKUNJVBQMO-FXAWDEMLSA-N 2 1 326.488 3.466 20 0 EGADMP FC(F)(F)COCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310383201 154141081 /nfs/dbraw/zinc/14/10/81/154141081.db2.gz JNBZRBGKPWNQLS-SJORKVTESA-N 2 1 342.405 3.019 20 0 EGADMP FC(F)(F)COCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310383201 154141084 /nfs/dbraw/zinc/14/10/84/154141084.db2.gz JNBZRBGKPWNQLS-SJORKVTESA-N 2 1 342.405 3.019 20 0 EGADMP FC(F)(F)COCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310383201 154141087 /nfs/dbraw/zinc/14/10/87/154141087.db2.gz JNBZRBGKPWNQLS-SJORKVTESA-N 2 1 342.405 3.019 20 0 EGADMP FC(F)(F)COCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310383201 154141090 /nfs/dbraw/zinc/14/10/90/154141090.db2.gz JNBZRBGKPWNQLS-SJORKVTESA-N 2 1 342.405 3.019 20 0 EGADMP O[C@H](C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000311193314 154147039 /nfs/dbraw/zinc/14/70/39/154147039.db2.gz FHMWNJMNZPDFSR-BHDDXSALSA-N 2 1 336.479 3.174 20 0 EGADMP O[C@H](C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000311193314 154147042 /nfs/dbraw/zinc/14/70/42/154147042.db2.gz FHMWNJMNZPDFSR-BHDDXSALSA-N 2 1 336.479 3.174 20 0 EGADMP O[C@H](C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000311193314 154147045 /nfs/dbraw/zinc/14/70/45/154147045.db2.gz FHMWNJMNZPDFSR-BHDDXSALSA-N 2 1 336.479 3.174 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337390203 154328599 /nfs/dbraw/zinc/32/85/99/154328599.db2.gz NCNSPBCWIOUUNH-IAGOWNOFSA-N 2 1 334.504 3.265 20 0 EGADMP COc1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)ccn1 ZINC000339865136 155008834 /nfs/dbraw/zinc/00/88/34/155008834.db2.gz HPYZXRCRKIFHAM-UHFFFAOYSA-N 2 1 339.483 3.434 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000368788805 157290538 /nfs/dbraw/zinc/29/05/38/157290538.db2.gz XTTMGSLAVHVYIS-UHFFFAOYSA-N 2 1 326.444 3.165 20 0 EGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cccc(O)c3)CC2)C[C@H](C)O1 ZINC000093844394 162030591 /nfs/dbraw/zinc/03/05/91/162030591.db2.gz TVSSIYLAOHRBQL-CALCHBBNSA-N 2 1 332.488 3.104 20 0 EGADMP NC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000130838919 162382472 /nfs/dbraw/zinc/38/24/72/162382472.db2.gz QLBXEIBXYQLUEW-UHFFFAOYSA-N 2 1 330.476 3.064 20 0 EGADMP Cn1ccnc1C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000131222213 162394530 /nfs/dbraw/zinc/39/45/30/162394530.db2.gz YORVKLREIIUYFO-PBHICJAKSA-N 2 1 333.863 3.062 20 0 EGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000248663327 163027584 /nfs/dbraw/zinc/02/75/84/163027584.db2.gz ZMRAMAQBTVIWEE-LJDSDSDDSA-N 2 1 342.483 3.113 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000338266354 163202426 /nfs/dbraw/zinc/20/24/26/163202426.db2.gz INEWALDOWIROBK-LJQANCHMSA-N 2 1 345.531 3.379 20 0 EGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(C)cc2-c2ccnn2C)CC1 ZINC000338919327 163386642 /nfs/dbraw/zinc/38/66/42/163386642.db2.gz FXHZLNQVJRQMGO-UHFFFAOYSA-N 2 1 326.488 3.312 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C)cc2-c2ccnn2C)CC1 ZINC000338919327 163386645 /nfs/dbraw/zinc/38/66/45/163386645.db2.gz FXHZLNQVJRQMGO-UHFFFAOYSA-N 2 1 326.488 3.312 20 0 EGADMP Cc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c(-c2cnn(C)c2)c1 ZINC000338922509 163387997 /nfs/dbraw/zinc/38/79/97/163387997.db2.gz YRDFPBNANMHLTN-UHFFFAOYSA-N 2 1 338.499 3.456 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC000343761881 164029270 /nfs/dbraw/zinc/02/92/70/164029270.db2.gz ILZUGPYBWZIAOK-XLIONFOSSA-N 2 1 327.516 3.428 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344144762 164114298 /nfs/dbraw/zinc/11/42/98/164114298.db2.gz VYJWVZYWPIUMIG-HXUWFJFHSA-N 2 1 333.495 3.210 20 0 EGADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cc2ccccc2o1 ZINC000344160708 164116593 /nfs/dbraw/zinc/11/65/93/164116593.db2.gz GBXPCDKTONPUAY-UHFFFAOYSA-N 2 1 329.488 3.282 20 0 EGADMP CC(C)CO[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1(C)C ZINC000344177451 164120335 /nfs/dbraw/zinc/12/03/35/164120335.db2.gz UQPHCVOGJXVTAI-ZWKOTPCHSA-N 2 1 338.536 3.061 20 0 EGADMP C[N@@H+](CCC(=O)Nc1cccc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000345763018 164260988 /nfs/dbraw/zinc/26/09/88/164260988.db2.gz ALNRSAAYEVAXPU-KRWDZBQOSA-N 2 1 339.483 3.442 20 0 EGADMP Cc1cccc(N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)[nH+]1 ZINC000354840519 166045474 /nfs/dbraw/zinc/04/54/74/166045474.db2.gz DRBIGTIQIQKGFX-UHFFFAOYSA-N 2 1 330.520 3.023 20 0 EGADMP CCc1cnc(C[NH+]2CCC(OCC[NH+](CC)CC)CC2)s1 ZINC000346175241 164357372 /nfs/dbraw/zinc/35/73/72/164357372.db2.gz QNCWRNZKVYKYNJ-UHFFFAOYSA-N 2 1 325.522 3.028 20 0 EGADMP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350922546 165082766 /nfs/dbraw/zinc/08/27/66/165082766.db2.gz VEUWEZKGLIYEJY-AWEZNQCLSA-N 2 1 335.517 3.009 20 0 EGADMP CCOc1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000352075050 165222297 /nfs/dbraw/zinc/22/22/97/165222297.db2.gz AVELBAGPYOTVKH-IEBWSBKVSA-N 2 1 339.483 3.481 20 0 EGADMP CCOc1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000352075050 165222298 /nfs/dbraw/zinc/22/22/98/165222298.db2.gz AVELBAGPYOTVKH-IEBWSBKVSA-N 2 1 339.483 3.481 20 0 EGADMP CCCN(C(=O)C[NH+](C)CCC)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000355597747 166255881 /nfs/dbraw/zinc/25/58/81/166255881.db2.gz NYLGWPOLXYVXKX-FQEVSTJZSA-N 2 1 345.531 3.231 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CCC4CC[NH2+]CC4)C3)C2)cc1 ZINC000359201347 167094768 /nfs/dbraw/zinc/09/47/68/167094768.db2.gz ZZBSLBPOLHRPJS-QFIPXVFZSA-N 3 1 341.543 3.364 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CCC4CC[NH2+]CC4)C3)C2)cc1 ZINC000359201347 167094773 /nfs/dbraw/zinc/09/47/73/167094773.db2.gz ZZBSLBPOLHRPJS-QFIPXVFZSA-N 3 1 341.543 3.364 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CCC4CC[NH2+]CC4)C3)C2)cc1 ZINC000359201347 167094774 /nfs/dbraw/zinc/09/47/74/167094774.db2.gz ZZBSLBPOLHRPJS-QFIPXVFZSA-N 3 1 341.543 3.364 20 0 EGADMP c1ccc(CN2CCC[C@@]3(CC[N@@H+](CCC4CC[NH2+]CC4)C3)C2)cc1 ZINC000359201347 167094776 /nfs/dbraw/zinc/09/47/76/167094776.db2.gz ZZBSLBPOLHRPJS-QFIPXVFZSA-N 2 1 341.543 3.364 20 0 EGADMP c1ccc(CN2CCC[C@@]3(CC[N@H+](CCC4CC[NH2+]CC4)C3)C2)cc1 ZINC000359201347 167094778 /nfs/dbraw/zinc/09/47/78/167094778.db2.gz ZZBSLBPOLHRPJS-QFIPXVFZSA-N 2 1 341.543 3.364 20 0 EGADMP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000359228182 167101348 /nfs/dbraw/zinc/10/13/48/167101348.db2.gz HCPULVPBIDMBKB-OXQOHEQNSA-N 2 1 339.483 3.061 20 0 EGADMP CCOC(=O)c1c[nH+]ccc1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000359550831 167190022 /nfs/dbraw/zinc/19/00/22/167190022.db2.gz IJLVPLGHIQCRLN-UHFFFAOYSA-N 2 1 345.487 3.351 20 0 EGADMP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000359774670 167229316 /nfs/dbraw/zinc/22/93/16/167229316.db2.gz NRIODGCWFRWINJ-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000359774670 167229320 /nfs/dbraw/zinc/22/93/20/167229320.db2.gz NRIODGCWFRWINJ-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000359774670 167229322 /nfs/dbraw/zinc/22/93/22/167229322.db2.gz NRIODGCWFRWINJ-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000359774670 167229325 /nfs/dbraw/zinc/22/93/25/167229325.db2.gz NRIODGCWFRWINJ-QFBILLFUSA-N 2 1 349.494 3.027 20 0 EGADMP C[C@@H](CCn1cccn1)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000366951542 168160483 /nfs/dbraw/zinc/16/04/83/168160483.db2.gz JNZPJKHKHDZGCK-ICSRJNTNSA-N 2 1 326.488 3.164 20 0 EGADMP CCN(C(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000367201696 168192118 /nfs/dbraw/zinc/19/21/18/168192118.db2.gz UVBWXUUEMNYAPT-GOSISDBHSA-N 2 1 343.515 3.236 20 0 EGADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000180179336 265397163 /nfs/dbraw/zinc/39/71/63/265397163.db2.gz LODQXZZRJBYSAF-KHSAKVFQSA-N 2 1 341.543 3.215 20 0 EGADMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000180179336 265397164 /nfs/dbraw/zinc/39/71/64/265397164.db2.gz LODQXZZRJBYSAF-KHSAKVFQSA-N 2 1 341.543 3.215 20 0 EGADMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000180179336 265397167 /nfs/dbraw/zinc/39/71/67/265397167.db2.gz LODQXZZRJBYSAF-KHSAKVFQSA-N 2 1 341.543 3.215 20 0 EGADMP CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000180179336 265397171 /nfs/dbraw/zinc/39/71/71/265397171.db2.gz LODQXZZRJBYSAF-KHSAKVFQSA-N 2 1 341.543 3.215 20 0 EGADMP CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000180179336 265397174 /nfs/dbraw/zinc/39/71/74/265397174.db2.gz LODQXZZRJBYSAF-KHSAKVFQSA-N 2 1 341.543 3.215 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3occc32)C1 ZINC000193277640 266020301 /nfs/dbraw/zinc/02/03/01/266020301.db2.gz DJUKNPPZUFIKOL-PKOBYXMFSA-N 2 1 326.440 3.013 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000273609164 267067464 /nfs/dbraw/zinc/06/74/64/267067464.db2.gz VFSRGMHIMBCUOZ-LJQANCHMSA-N 2 1 335.923 3.335 20 0 EGADMP COc1ncccc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274935642 267309167 /nfs/dbraw/zinc/30/91/67/267309167.db2.gz RYUVXGOONMXGTP-APWZRJJASA-N 2 1 325.456 3.090 20 0 EGADMP COc1ncccc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274935642 267309169 /nfs/dbraw/zinc/30/91/69/267309169.db2.gz RYUVXGOONMXGTP-APWZRJJASA-N 2 1 325.456 3.090 20 0 EGADMP C[C@@H](N[C@H]1c2ccccc2C[C@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274953347 267310348 /nfs/dbraw/zinc/31/03/48/267310348.db2.gz VNHMGPUCMXQCGO-OJWCNPDFSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274953347 267310350 /nfs/dbraw/zinc/31/03/50/267310350.db2.gz VNHMGPUCMXQCGO-OJWCNPDFSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@@H]([NH2+]CCc1cn2ccccc2n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274950313 267310536 /nfs/dbraw/zinc/31/05/36/267310536.db2.gz UZVBCWPXAFYZSD-UYAOXDASSA-N 3 1 348.494 3.377 20 0 EGADMP C[C@H](N[C@@H]1c2ccccc2C[C@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274953342 267310569 /nfs/dbraw/zinc/31/05/69/267310569.db2.gz VNHMGPUCMXQCGO-NTSGDEEZSA-N 2 1 336.479 3.145 20 0 EGADMP C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274953342 267310571 /nfs/dbraw/zinc/31/05/71/267310571.db2.gz VNHMGPUCMXQCGO-NTSGDEEZSA-N 2 1 336.479 3.145 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000275354384 267349841 /nfs/dbraw/zinc/34/98/41/267349841.db2.gz RJEHLZBQZAXKHI-SNVBAGLBSA-N 2 1 341.228 3.229 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000276948919 267660592 /nfs/dbraw/zinc/66/05/92/267660592.db2.gz DMTRRHACDPFHGR-DLBZAZTESA-N 2 1 337.826 3.494 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000366419493 274355168 /nfs/dbraw/zinc/35/51/68/274355168.db2.gz SAILXUMXOPILGL-UXPWSPDFSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000366419493 274355169 /nfs/dbraw/zinc/35/51/69/274355169.db2.gz SAILXUMXOPILGL-UXPWSPDFSA-N 2 1 338.499 3.298 20 0 EGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)CC3 ZINC000180543495 274765503 /nfs/dbraw/zinc/76/55/03/274765503.db2.gz IKFJLRHNTUSDLD-INIZCTEOSA-N 2 1 341.499 3.034 20 0 EGADMP Cn1c2ccccc2nc1CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076446455 275151976 /nfs/dbraw/zinc/15/19/76/275151976.db2.gz IBBOUZGBMORTEF-GOSISDBHSA-N 2 1 334.467 3.185 20 0 EGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000172129446 275196856 /nfs/dbraw/zinc/19/68/56/275196856.db2.gz KFAMJEORQFUSGG-SFHVURJKSA-N 2 1 332.492 3.134 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000277038055 275254240 /nfs/dbraw/zinc/25/42/40/275254240.db2.gz BOWMJULYVFWLRQ-OALUTQOASA-N 2 1 348.531 3.140 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000277038055 275254241 /nfs/dbraw/zinc/25/42/41/275254241.db2.gz BOWMJULYVFWLRQ-OALUTQOASA-N 2 1 348.531 3.140 20 0 EGADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000279045741 275298829 /nfs/dbraw/zinc/29/88/29/275298829.db2.gz XOOJKBKGIIGPLR-CHWSQXEVSA-N 2 1 349.862 3.467 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C[C@H](O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000286871822 276052372 /nfs/dbraw/zinc/05/23/72/276052372.db2.gz BVWFPIMIFINUIA-VLCRHTCISA-N 2 1 338.495 3.233 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000345848396 276067979 /nfs/dbraw/zinc/06/79/79/276067979.db2.gz PGZDHQXERQKTNV-KRWDZBQOSA-N 2 1 334.508 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000345848396 276067980 /nfs/dbraw/zinc/06/79/80/276067980.db2.gz PGZDHQXERQKTNV-KRWDZBQOSA-N 2 1 334.508 3.167 20 0 EGADMP CC[NH+](CC)CCC[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC000365190785 276096099 /nfs/dbraw/zinc/09/60/99/276096099.db2.gz IRRABKVYHUZGRK-LJQANCHMSA-N 2 1 329.488 3.166 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000287318966 276107683 /nfs/dbraw/zinc/10/76/83/276107683.db2.gz DHBDAMRPRGZFBX-CVEARBPZSA-N 2 1 330.394 3.338 20 0 EGADMP COCCc1cc[nH+]c(N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000287618633 276140420 /nfs/dbraw/zinc/14/04/20/276140420.db2.gz SUFLTVGNBAYSGD-MRXNPFEDSA-N 2 1 343.471 3.384 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000288890625 276264152 /nfs/dbraw/zinc/26/41/52/276264152.db2.gz RIEQABMELYMHSL-INIZCTEOSA-N 2 1 334.508 3.033 20 0 EGADMP Cc1ccncc1CCC[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000289061033 276285750 /nfs/dbraw/zinc/28/57/50/276285750.db2.gz BYTBXFIHDZIRMY-NRFANRHFSA-N 2 1 337.511 3.477 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000289124350 276294115 /nfs/dbraw/zinc/29/41/15/276294115.db2.gz DPOVIBFFGZVRKW-FQEVSTJZSA-N 2 1 340.515 3.163 20 0 EGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3COc4ccccc4[C@H]3O)CC2)C1 ZINC000290282779 276474871 /nfs/dbraw/zinc/47/48/71/276474871.db2.gz MIVFNJRQXSNOCW-ZWVMGRIOSA-N 2 1 344.499 3.114 20 0 EGADMP COc1ccsc1[C@@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290435804 276495354 /nfs/dbraw/zinc/49/53/54/276495354.db2.gz VIIPSFJBVJKQPJ-CQSZACIVSA-N 2 1 349.500 3.333 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H](C)[C@H](OC)c2ccccc2Cl)CC1 ZINC000354972108 277219497 /nfs/dbraw/zinc/21/94/97/277219497.db2.gz UJBKCKSUIBJSQI-KSSFIOAISA-N 2 1 340.895 3.116 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000236655105 279384433 /nfs/dbraw/zinc/38/44/33/279384433.db2.gz BWRHKZVCYLWRIJ-KRWDZBQOSA-N 2 1 345.531 3.169 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCOCC3)C2)C[C@H]1c1ccccc1 ZINC000340307326 290224438 /nfs/dbraw/zinc/22/44/38/290224438.db2.gz VEZUMTFRPBBDQJ-ZCNNSNEGSA-N 2 1 344.499 3.140 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCOCC3)C2)C[C@H]1c1ccccc1 ZINC000340307326 290224443 /nfs/dbraw/zinc/22/44/43/290224443.db2.gz VEZUMTFRPBBDQJ-ZCNNSNEGSA-N 2 1 344.499 3.140 20 0 EGADMP Cc1[nH+]c2ccccc2c(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1C ZINC000343247247 293475047 /nfs/dbraw/zinc/47/50/47/293475047.db2.gz GRCQUYALKNKNFZ-WMLDXEAASA-N 2 1 325.456 3.151 20 0 EGADMP CO[C@@]1(C)CCC[NH+](CC(C)C[N@@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000361434287 294131188 /nfs/dbraw/zinc/13/11/88/294131188.db2.gz MJAIBSZWLYMLKD-PMACEKPBSA-N 2 1 340.552 3.405 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000246853255 295207400 /nfs/dbraw/zinc/20/74/00/295207400.db2.gz BONBVDDFVZDSHT-OWCLPIDISA-N 2 1 338.467 3.374 20 0 EGADMP CC(C)[NH+](CCCNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)C(C)C ZINC000072518287 307379632 /nfs/dbraw/zinc/37/96/32/307379632.db2.gz CRJISBIFONTJER-SFHVURJKSA-N 2 1 340.556 3.011 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000081284257 307438695 /nfs/dbraw/zinc/43/86/95/307438695.db2.gz NBPBVRBUSNKXOE-LPHOPBHVSA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414854792 309105894 /nfs/dbraw/zinc/10/58/94/309105894.db2.gz VMOCXGOXNKGYRQ-YOEHRIQHSA-N 2 1 339.911 3.040 20 0 EGADMP OC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000414308635 309072050 /nfs/dbraw/zinc/07/20/50/309072050.db2.gz IJBHDFIMWYMXSZ-LJQANCHMSA-N 2 1 342.458 3.156 20 0 EGADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000248387550 308001857 /nfs/dbraw/zinc/00/18/57/308001857.db2.gz PKNWYEHQWAYPBY-CVEARBPZSA-N 2 1 327.513 3.096 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000248387550 308001858 /nfs/dbraw/zinc/00/18/58/308001858.db2.gz PKNWYEHQWAYPBY-CVEARBPZSA-N 2 1 327.513 3.096 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000248853169 308013297 /nfs/dbraw/zinc/01/32/97/308013297.db2.gz VAVUKSNBCJEESH-OKZBNKHCSA-N 2 1 348.535 3.051 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000248853169 308013299 /nfs/dbraw/zinc/01/32/99/308013299.db2.gz VAVUKSNBCJEESH-OKZBNKHCSA-N 2 1 348.535 3.051 20 0 EGADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccnn1C ZINC000248880223 308014225 /nfs/dbraw/zinc/01/42/25/308014225.db2.gz KLXNMOCHKYLKDP-YZLZLFLDSA-N 2 1 326.488 3.227 20 0 EGADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccnn1C ZINC000248880223 308014226 /nfs/dbraw/zinc/01/42/26/308014226.db2.gz KLXNMOCHKYLKDP-YZLZLFLDSA-N 2 1 326.488 3.227 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000249391541 308023257 /nfs/dbraw/zinc/02/32/57/308023257.db2.gz ACDUKMCFUIIPOU-KXBFYZLASA-N 2 1 340.458 3.234 20 0 EGADMP CC(C)n1ncc2cc(CN3CC[C@]4(CC[N@@H+](C)C4)C3)c(Cl)nc21 ZINC000292859597 308073306 /nfs/dbraw/zinc/07/33/06/308073306.db2.gz VFBZYBSPKUVUML-SFHVURJKSA-N 2 1 347.894 3.193 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000414466089 309082026 /nfs/dbraw/zinc/08/20/26/309082026.db2.gz YYLDPHFWFJTQNU-UHFFFAOYSA-N 2 1 330.451 3.284 20 0 EGADMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293755434 308158906 /nfs/dbraw/zinc/15/89/06/308158906.db2.gz QSADBAQOOGGQFX-PVAVHDDUSA-N 2 1 328.435 3.289 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC)c(OC)c2Cl)[C@H](C)C1 ZINC000293858149 308168220 /nfs/dbraw/zinc/16/82/20/308168220.db2.gz YUPMKKWNPGVJOY-HIFRSBDPSA-N 2 1 340.895 3.220 20 0 EGADMP C[NH2+]CCC[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414860377 309105909 /nfs/dbraw/zinc/10/59/09/309105909.db2.gz PODUXQJYYNAUAP-UHFFFAOYSA-N 2 1 341.171 3.047 20 0 EGADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000294993007 308279632 /nfs/dbraw/zinc/27/96/32/308279632.db2.gz QOZGVPRDASIPGH-TYPHKJRUSA-N 2 1 328.500 3.193 20 0 EGADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000294993007 308279633 /nfs/dbraw/zinc/27/96/33/308279633.db2.gz QOZGVPRDASIPGH-TYPHKJRUSA-N 2 1 328.500 3.193 20 0 EGADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000294993007 308279635 /nfs/dbraw/zinc/27/96/35/308279635.db2.gz QOZGVPRDASIPGH-TYPHKJRUSA-N 2 1 328.500 3.193 20 0 EGADMP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000295008369 308280924 /nfs/dbraw/zinc/28/09/24/308280924.db2.gz JDUFKDPPFVBOIQ-YMQHIKHWSA-N 2 1 328.500 3.038 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000295099741 308291414 /nfs/dbraw/zinc/29/14/14/308291414.db2.gz USQPDILDJDUQNE-OOKSDGMUSA-N 2 1 329.488 3.235 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1OCc1ccccc1 ZINC000414664384 309094340 /nfs/dbraw/zinc/09/43/40/309094340.db2.gz SSOJTYZOQPSFIJ-VQIMIIECSA-N 2 1 340.467 3.443 20 0 EGADMP COc1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)ccc1OCC(F)(F)F ZINC000414666809 309094582 /nfs/dbraw/zinc/09/45/82/309094582.db2.gz XQBHZIHKUMBDKY-AWEZNQCLSA-N 2 1 348.409 3.442 20 0 EGADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)CC[NH2+]1 ZINC000414732501 309097912 /nfs/dbraw/zinc/09/79/12/309097912.db2.gz AIQFMPAWDQGNBO-CKEIUWERSA-N 2 1 340.414 3.049 20 0 EGADMP CC(C)(C)[NH2+]CC[N@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000414756748 309099065 /nfs/dbraw/zinc/09/90/65/309099065.db2.gz JZZAHMYKGKTXPD-UHFFFAOYSA-N 2 1 334.504 3.325 20 0 EGADMP CC(C)(C)[NH2+]CC[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000414756748 309099066 /nfs/dbraw/zinc/09/90/66/309099066.db2.gz JZZAHMYKGKTXPD-UHFFFAOYSA-N 2 1 334.504 3.325 20 0 EGADMP C[C@@H]1C[C@H](C[N@@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000414757596 309099112 /nfs/dbraw/zinc/09/91/12/309099112.db2.gz SUYIVOBMJWXALV-NVXWUHKLSA-N 2 1 346.906 3.464 20 0 EGADMP Fc1ccc(Br)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414776694 309100236 /nfs/dbraw/zinc/10/02/36/309100236.db2.gz HLFXLZKIESYOEK-CHWSQXEVSA-N 2 1 341.268 3.410 20 0 EGADMP Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C2CCCCC2)n1 ZINC000414777345 309100254 /nfs/dbraw/zinc/10/02/54/309100254.db2.gz ICTKYHNMWOHINL-MSOLQXFVSA-N 2 1 330.520 3.289 20 0 EGADMP O=C(Nc1cccc(C[NH2+]C2CC[NH2+]CC2)c1)c1ccc(Cl)cc1 ZINC000414792582 309101668 /nfs/dbraw/zinc/10/16/68/309101668.db2.gz SMQAOFJCOZBWTH-UHFFFAOYSA-N 2 1 343.858 3.434 20 0 EGADMP Cc1cccn2cc(COc3ccc(C[NH2+]CC(C)(C)[NH3+])cc3)nc12 ZINC000414801245 309102469 /nfs/dbraw/zinc/10/24/69/309102469.db2.gz JCDZBIOYQAGNNK-UHFFFAOYSA-N 2 1 338.455 3.049 20 0 EGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414834658 309104602 /nfs/dbraw/zinc/10/46/02/309104602.db2.gz GUGHPVZVDZBWMN-HOCLYGCPSA-N 2 1 339.911 3.040 20 0 EGADMP CC(C)[C@H](CNc1cc[nH+]c2cc(F)ccc12)[NH+]1CCN(C)CC1 ZINC000301362603 308697831 /nfs/dbraw/zinc/69/78/31/308697831.db2.gz MMUSNMWRCUUODR-IBGZPJMESA-N 2 1 330.451 3.058 20 0 EGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000414838318 309104830 /nfs/dbraw/zinc/10/48/30/309104830.db2.gz KHCCQIDTCHHJKL-JSGCOSHPSA-N 2 1 341.883 3.029 20 0 EGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)C1CCCCC1 ZINC000414838345 309104884 /nfs/dbraw/zinc/10/48/84/309104884.db2.gz KKXGYUNUZPDSOI-PMACEKPBSA-N 2 1 332.488 3.242 20 0 EGADMP C[NH2+]Cc1ccccc1NCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000414859629 309106002 /nfs/dbraw/zinc/10/60/02/309106002.db2.gz BHKDQFMTEIXPHY-UHFFFAOYSA-N 2 1 330.501 3.241 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC[NH2+]1 ZINC000414945187 309110604 /nfs/dbraw/zinc/11/06/04/309110604.db2.gz HZPGHBSUJOCCGX-XYPHTWIQSA-N 2 1 338.879 3.128 20 0 EGADMP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414951028 309110882 /nfs/dbraw/zinc/11/08/82/309110882.db2.gz PLQTZKHBZZQMKI-TZMCWYRMSA-N 2 1 326.868 3.368 20 0 EGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1Cl ZINC000415073075 309118240 /nfs/dbraw/zinc/11/82/40/309118240.db2.gz YZOYDMPFMKTIBX-SUMWQHHRSA-N 2 1 337.895 3.473 20 0 EGADMP C[C@]1(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CC[NH2+]C1 ZINC000415074420 309118531 /nfs/dbraw/zinc/11/85/31/309118531.db2.gz CPCGQYFMFKSDAH-AWEZNQCLSA-N 2 1 349.219 3.140 20 0 EGADMP COc1ccc(C2(C[NH2+][C@H]3CCC[NH2+]C3)CCCCC2)cc1OC ZINC000415082632 309118980 /nfs/dbraw/zinc/11/89/80/309118980.db2.gz DIMXXYCRNJBYEY-KRWDZBQOSA-N 2 1 332.488 3.247 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(OCC3CCCCC3)c2)CCCO1 ZINC000415103086 309120505 /nfs/dbraw/zinc/12/05/05/309120505.db2.gz BXXCOFOLKPJDII-FQEVSTJZSA-N 2 1 332.488 3.195 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(OCC3CCCCC3)c2)CCCO1 ZINC000415103086 309120506 /nfs/dbraw/zinc/12/05/06/309120506.db2.gz BXXCOFOLKPJDII-FQEVSTJZSA-N 2 1 332.488 3.195 20 0 EGADMP C[NH2+]CCC[N@@H+](C)Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000415127019 309122457 /nfs/dbraw/zinc/12/24/57/309122457.db2.gz HQEYOZJOINWMKU-UHFFFAOYSA-N 2 1 328.456 3.412 20 0 EGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000415139464 309123423 /nfs/dbraw/zinc/12/34/23/309123423.db2.gz ZSQVMEGMUXQTCX-DLBZAZTESA-N 2 1 326.843 3.197 20 0 EGADMP CN(C)C(=O)c1ccccc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000417898379 309227456 /nfs/dbraw/zinc/22/74/56/309227456.db2.gz RJUQEFSRMDQTDU-UHFFFAOYSA-N 2 1 343.515 3.133 20 0 EGADMP CCCNC(=O)CCC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000419137815 309260739 /nfs/dbraw/zinc/26/07/39/309260739.db2.gz PVLYDADSVRUPDE-SFHVURJKSA-N 2 1 345.531 3.315 20 0 EGADMP C[N@@H+](CCOc1ccc(Br)cc1)CC[C@@H]1CCC[NH2+]C1 ZINC000420295975 309279867 /nfs/dbraw/zinc/27/98/67/309279867.db2.gz BGQVUZRBYDNOPD-AWEZNQCLSA-N 2 1 341.293 3.149 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420303276 309280477 /nfs/dbraw/zinc/28/04/77/309280477.db2.gz CPVRKCOZWOGWDS-KRWDZBQOSA-N 2 1 325.456 3.221 20 0 EGADMP COc1ccc(C[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C2CC2)cc1 ZINC000420302886 309280585 /nfs/dbraw/zinc/28/05/85/309280585.db2.gz JVQJCHCHNIWJLV-SFHVURJKSA-N 2 1 340.467 3.411 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420307798 309280700 /nfs/dbraw/zinc/28/07/00/309280700.db2.gz MNVKHMSOOQBFPE-IBGZPJMESA-N 2 1 342.874 3.291 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420307798 309280701 /nfs/dbraw/zinc/28/07/01/309280701.db2.gz MNVKHMSOOQBFPE-IBGZPJMESA-N 2 1 342.874 3.291 20 0 EGADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420319836 309281892 /nfs/dbraw/zinc/28/18/92/309281892.db2.gz AOXWBYXGWWXYEI-SJORKVTESA-N 2 1 341.455 3.172 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000420322254 309281965 /nfs/dbraw/zinc/28/19/65/309281965.db2.gz WKGANRGYTFSNEO-ZDUSSCGKSA-N 2 1 332.469 3.391 20 0 EGADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000420322254 309281966 /nfs/dbraw/zinc/28/19/66/309281966.db2.gz WKGANRGYTFSNEO-ZDUSSCGKSA-N 2 1 332.469 3.391 20 0 EGADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)ccc2o1 ZINC000420328939 309282481 /nfs/dbraw/zinc/28/24/81/309282481.db2.gz NOOLAVKWOPWYQV-HOTGVXAUSA-N 2 1 342.439 3.041 20 0 EGADMP Cc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000420327963 309282504 /nfs/dbraw/zinc/28/25/04/309282504.db2.gz LXILKVUNLGVQQM-ZWKOTPCHSA-N 2 1 325.456 3.472 20 0 EGADMP Cc1ccc(-c2cnc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000420327962 309282722 /nfs/dbraw/zinc/28/27/22/309282722.db2.gz LXILKVUNLGVQQM-ROUUACIJSA-N 2 1 325.456 3.472 20 0 EGADMP Cc1cc(-c2noc([C@@H](C)[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)ccc1F ZINC000420334817 309282772 /nfs/dbraw/zinc/28/27/72/309282772.db2.gz LISCYRWVSJCHTD-BMFZPTHFSA-N 2 1 344.434 3.177 20 0 EGADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332708 309282851 /nfs/dbraw/zinc/28/28/51/309282851.db2.gz SEHZPHKJLNSVCF-MCIONIFRSA-N 2 1 332.473 3.181 20 0 EGADMP CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420344930 309283427 /nfs/dbraw/zinc/28/34/27/309283427.db2.gz VAZNIAFEJYRDOX-MSOLQXFVSA-N 2 1 329.488 3.070 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420344297 309283436 /nfs/dbraw/zinc/28/34/36/309283436.db2.gz SOJLOBKIAUFLOI-XJKSGUPXSA-N 2 1 335.879 3.131 20 0 EGADMP [NH3+]C[C@@H]([NH2+]CCOc1cccc(Br)c1)C1CCCCC1 ZINC000420358154 309283959 /nfs/dbraw/zinc/28/39/59/309283959.db2.gz FASGDRYWBNIVKE-MRXNPFEDSA-N 2 1 341.293 3.325 20 0 EGADMP [NH3+]C[C@@H]([NH2+]CCOc1ccc(Br)cc1)C1CCCCC1 ZINC000420369526 309284663 /nfs/dbraw/zinc/28/46/63/309284663.db2.gz XQYUSOIWXLBYGY-MRXNPFEDSA-N 2 1 341.293 3.325 20 0 EGADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000420382205 309285472 /nfs/dbraw/zinc/28/54/72/309285472.db2.gz ZMAHCOYGJQKZCD-UEKVPHQBSA-N 2 1 344.286 3.298 20 0 EGADMP Brc1ccc2c(c1)C[N@@H+](CCC1CC[NH2+]CC1)CCO2 ZINC000420383371 309285550 /nfs/dbraw/zinc/28/55/50/309285550.db2.gz ZLAZDEZBMCDRLK-UHFFFAOYSA-N 2 1 339.277 3.033 20 0 EGADMP Brc1ccc2c(c1)C[N@H+](CCC1CC[NH2+]CC1)CCO2 ZINC000420383371 309285551 /nfs/dbraw/zinc/28/55/51/309285551.db2.gz ZLAZDEZBMCDRLK-UHFFFAOYSA-N 2 1 339.277 3.033 20 0 EGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000420381807 309285638 /nfs/dbraw/zinc/28/56/38/309285638.db2.gz PCXLORXNUZQWAQ-IAGOWNOFSA-N 2 1 347.484 3.121 20 0 EGADMP c1cc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420957616 309304279 /nfs/dbraw/zinc/30/42/79/309304279.db2.gz BWXHUGFWIRADTQ-HXUWFJFHSA-N 2 1 346.540 3.238 20 0 EGADMP c1cc(C[N@H+]2CCC[C@@]3(CCSC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420957616 309304280 /nfs/dbraw/zinc/30/42/80/309304280.db2.gz BWXHUGFWIRADTQ-HXUWFJFHSA-N 2 1 346.540 3.238 20 0 EGADMP c1cc(C[N@@H+]2CCSC3(CCC3)CC2)ccc1C[NH+]1CCOCC1 ZINC000420978232 309305706 /nfs/dbraw/zinc/30/57/06/309305706.db2.gz TUAICJOBWZCSLQ-UHFFFAOYSA-N 2 1 346.540 3.380 20 0 EGADMP c1cc(C[N@H+]2CCSC3(CCC3)CC2)ccc1C[NH+]1CCOCC1 ZINC000420978232 309305707 /nfs/dbraw/zinc/30/57/07/309305707.db2.gz TUAICJOBWZCSLQ-UHFFFAOYSA-N 2 1 346.540 3.380 20 0 EGADMP CSc1ccccc1NC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422636685 309363110 /nfs/dbraw/zinc/36/31/10/309363110.db2.gz NLWIVKDPYSSCDA-ZNMIVQPWSA-N 2 1 335.517 3.042 20 0 EGADMP [NH3+][C@@H]1C[C@@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000422721637 309364854 /nfs/dbraw/zinc/36/48/54/309364854.db2.gz VWEAJSRKTPYDQJ-STZQEDGTSA-N 2 1 335.495 3.285 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422730953 309365481 /nfs/dbraw/zinc/36/54/81/309365481.db2.gz MWLUOGZXTRXFLS-IAGOWNOFSA-N 2 1 342.314 3.427 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422742507 309366267 /nfs/dbraw/zinc/36/62/67/309366267.db2.gz QBMTWMIYAICHJW-UTKZUKDTSA-N 2 1 325.500 3.186 20 0 EGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422742507 309366268 /nfs/dbraw/zinc/36/62/68/309366268.db2.gz QBMTWMIYAICHJW-UTKZUKDTSA-N 3 1 325.500 3.186 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422742507 309366269 /nfs/dbraw/zinc/36/62/69/309366269.db2.gz QBMTWMIYAICHJW-UTKZUKDTSA-N 3 1 325.500 3.186 20 0 EGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)c1 ZINC000422742507 309366270 /nfs/dbraw/zinc/36/62/70/309366270.db2.gz QBMTWMIYAICHJW-UTKZUKDTSA-N 2 1 325.500 3.186 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)c1 ZINC000422742507 309366271 /nfs/dbraw/zinc/36/62/71/309366271.db2.gz QBMTWMIYAICHJW-UTKZUKDTSA-N 2 1 325.500 3.186 20 0 EGADMP C[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000422862975 309372553 /nfs/dbraw/zinc/37/25/53/309372553.db2.gz OIRYLOMQMSVXPX-ZJSJBZJDSA-N 2 1 343.515 3.095 20 0 EGADMP C[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC000422862975 309372554 /nfs/dbraw/zinc/37/25/54/309372554.db2.gz OIRYLOMQMSVXPX-ZJSJBZJDSA-N 2 1 343.515 3.095 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(OC(C)C)c1 ZINC000422871145 309373083 /nfs/dbraw/zinc/37/30/83/309373083.db2.gz CNQOTWYTMLVGSO-GBESFXJTSA-N 2 1 332.488 3.029 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000422888190 309374221 /nfs/dbraw/zinc/37/42/21/309374221.db2.gz BZCAXTWPPANVHP-YZGWKJHDSA-N 2 1 343.515 3.251 20 0 EGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422891667 309374605 /nfs/dbraw/zinc/37/46/05/309374605.db2.gz LGXMWQSDIHBUEU-ZWKOTPCHSA-N 2 1 327.403 3.047 20 0 EGADMP Cc1ccccc1CN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422905496 309375687 /nfs/dbraw/zinc/37/56/87/309375687.db2.gz ZDVDVOKBOMFOSV-YPAWHYETSA-N 2 1 341.543 3.470 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000422913956 309375972 /nfs/dbraw/zinc/37/59/72/309375972.db2.gz ZOCHJWOHFYQALP-BBTUJRGHSA-N 2 1 325.500 3.055 20 0 EGADMP CCC(CC)[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N(C)C ZINC000422965679 309378769 /nfs/dbraw/zinc/37/87/69/309378769.db2.gz PJZOCPNQWHAYJN-DYXWJJEUSA-N 2 1 345.531 3.198 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422996520 309380024 /nfs/dbraw/zinc/38/00/24/309380024.db2.gz MJZPKDCKLMCVRO-HMXCVIKNSA-N 2 1 329.532 3.437 20 0 EGADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000423057951 309383520 /nfs/dbraw/zinc/38/35/20/309383520.db2.gz BABKWHJNIJFCLF-YLFCFFPRSA-N 2 1 342.405 3.079 20 0 EGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423064017 309383988 /nfs/dbraw/zinc/38/39/88/309383988.db2.gz XWLDKMIKOPINKY-GVDBMIGSSA-N 2 1 342.405 3.261 20 0 EGADMP C[C@](CO)(C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000423068073 309384047 /nfs/dbraw/zinc/38/40/47/309384047.db2.gz ATRVAOCMIOHCEZ-YPAWHYETSA-N 2 1 338.495 3.311 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000423079160 309384876 /nfs/dbraw/zinc/38/48/76/309384876.db2.gz XLNFMTSPHCCRCM-YSTOQKLRSA-N 2 1 326.415 3.026 20 0 EGADMP Cc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CCC2)cc1C ZINC000423087906 309385318 /nfs/dbraw/zinc/38/53/18/309385318.db2.gz PBENTUJGETWKHF-HBMCJLEFSA-N 2 1 342.527 3.472 20 0 EGADMP FC(F)(F)COc1cnccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423096134 309385833 /nfs/dbraw/zinc/38/58/33/309385833.db2.gz GXNMQDBFMZVCPL-RBSFLKMASA-N 2 1 343.393 3.033 20 0 EGADMP COc1cc(OC)cc(Oc2cccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])c2)c1 ZINC000423112108 309386489 /nfs/dbraw/zinc/38/64/89/309386489.db2.gz XCBKAGIVQOLKPS-UXHICEINSA-N 2 1 342.439 3.466 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423134214 309387566 /nfs/dbraw/zinc/38/75/66/309387566.db2.gz DRFAEIRYUPDLPZ-GIVPXCGWSA-N 3 1 329.532 3.266 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423134214 309387567 /nfs/dbraw/zinc/38/75/67/309387567.db2.gz DRFAEIRYUPDLPZ-GIVPXCGWSA-N 2 1 329.532 3.266 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423134214 309387568 /nfs/dbraw/zinc/38/75/68/309387568.db2.gz DRFAEIRYUPDLPZ-GIVPXCGWSA-N 2 1 329.532 3.266 20 0 EGADMP Fc1cccc(-n2cccn2)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423165834 309389036 /nfs/dbraw/zinc/38/90/36/309389036.db2.gz UYCSJWVWCJNWBF-AYOQOUSVSA-N 2 1 342.462 3.412 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423176754 309389145 /nfs/dbraw/zinc/38/91/45/309389145.db2.gz CYNZLSBGFPGKNT-RHSMWYFYSA-N 2 1 336.451 3.176 20 0 EGADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423176756 309389157 /nfs/dbraw/zinc/38/91/57/309389157.db2.gz CYNZLSBGFPGKNT-YOEHRIQHSA-N 2 1 336.451 3.176 20 0 EGADMP Clc1cccc(CC2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CC2)c1 ZINC000423173114 309389250 /nfs/dbraw/zinc/38/92/50/309389250.db2.gz WYMXAAKFLYYLHT-GUDVDZBRSA-N 2 1 348.918 3.409 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)s1 ZINC000423267543 309393140 /nfs/dbraw/zinc/39/31/40/309393140.db2.gz TXYNYHCHKSDLHH-SWLSCSKDSA-N 2 1 325.522 3.199 20 0 EGADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423321134 309395168 /nfs/dbraw/zinc/39/51/68/309395168.db2.gz MUHMHYOGMTWIDR-WOJBJXKFSA-N 2 1 328.431 3.445 20 0 EGADMP Cc1c([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000423328396 309395288 /nfs/dbraw/zinc/39/52/88/309395288.db2.gz MEJTXAIWLFGQLX-AUUYWEPGSA-N 2 1 330.451 3.360 20 0 EGADMP C[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423333346 309395734 /nfs/dbraw/zinc/39/57/34/309395734.db2.gz RLOOBCBDDPWWKP-RKDXNWHRSA-N 2 1 337.773 3.013 20 0 EGADMP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000423334479 309395813 /nfs/dbraw/zinc/39/58/13/309395813.db2.gz OZGDEYPMWOVRQC-MDZRGWNJSA-N 2 1 329.488 3.245 20 0 EGADMP C[C@H](CC1CCOCC1)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423358621 309396882 /nfs/dbraw/zinc/39/68/82/309396882.db2.gz BZYVVBGRHBCUIC-ACWOFJMJSA-N 2 1 338.442 3.205 20 0 EGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423359831 309396897 /nfs/dbraw/zinc/39/68/97/309396897.db2.gz KZDLSTNMDDATLJ-MJQMVNBJSA-N 2 1 345.531 3.195 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423365046 309397078 /nfs/dbraw/zinc/39/70/78/309397078.db2.gz PCCBFKIAICELFH-WOZUAGRISA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423365046 309397079 /nfs/dbraw/zinc/39/70/79/309397079.db2.gz PCCBFKIAICELFH-WOZUAGRISA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423365046 309397080 /nfs/dbraw/zinc/39/70/80/309397080.db2.gz PCCBFKIAICELFH-WOZUAGRISA-N 3 1 327.516 3.019 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC000423381728 309397890 /nfs/dbraw/zinc/39/78/90/309397890.db2.gz NXZWCZCRAGLTIQ-RQXATKFSSA-N 2 1 327.516 3.160 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC000423381728 309397891 /nfs/dbraw/zinc/39/78/91/309397891.db2.gz NXZWCZCRAGLTIQ-RQXATKFSSA-N 3 1 327.516 3.160 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC000423381728 309397892 /nfs/dbraw/zinc/39/78/92/309397892.db2.gz NXZWCZCRAGLTIQ-RQXATKFSSA-N 3 1 327.516 3.160 20 0 EGADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000423383592 309397964 /nfs/dbraw/zinc/39/79/64/309397964.db2.gz KKZNDFTWAXKQJR-CRSSMBPESA-N 3 1 327.516 3.147 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000423383592 309397965 /nfs/dbraw/zinc/39/79/65/309397965.db2.gz KKZNDFTWAXKQJR-CRSSMBPESA-N 2 1 327.516 3.147 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000423383592 309397966 /nfs/dbraw/zinc/39/79/66/309397966.db2.gz KKZNDFTWAXKQJR-CRSSMBPESA-N 2 1 327.516 3.147 20 0 EGADMP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423444034 309400654 /nfs/dbraw/zinc/40/06/54/309400654.db2.gz WDTIUCAQYYDYJN-DLZJWTSESA-N 2 1 339.302 3.039 20 0 EGADMP FC(F)(F)c1cccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CC2)c1 ZINC000423489333 309402731 /nfs/dbraw/zinc/40/27/31/309402731.db2.gz FZKOHAXYRHWBSO-CVEARBPZSA-N 2 1 328.378 3.125 20 0 EGADMP C[C@H](C[NH2+][C@H]1CCCOc2c(Br)cccc21)C[NH+](C)C ZINC000425948389 309495604 /nfs/dbraw/zinc/49/56/04/309495604.db2.gz ANINHYPGPMKLHX-DOMZBBRYSA-N 2 1 341.293 3.450 20 0 EGADMP CCn1nnc(C)c1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000449076022 310035177 /nfs/dbraw/zinc/03/51/77/310035177.db2.gz GGXTXCPUVBHRGP-INIZCTEOSA-N 2 1 341.503 3.128 20 0 EGADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000449121392 310038671 /nfs/dbraw/zinc/03/86/71/310038671.db2.gz HQFDDYSQXDMVKN-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449332092 310054104 /nfs/dbraw/zinc/05/41/04/310054104.db2.gz QALQSUQITUONJE-MSOLQXFVSA-N 2 1 330.472 3.154 20 0 EGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449332092 310054105 /nfs/dbraw/zinc/05/41/05/310054105.db2.gz QALQSUQITUONJE-MSOLQXFVSA-N 2 1 330.472 3.154 20 0 EGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449332092 310054106 /nfs/dbraw/zinc/05/41/06/310054106.db2.gz QALQSUQITUONJE-MSOLQXFVSA-N 2 1 330.472 3.154 20 0 EGADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000449449597 310062699 /nfs/dbraw/zinc/06/26/99/310062699.db2.gz MANGONUAQPXTFU-BTHPGYMESA-N 2 1 330.516 3.426 20 0 EGADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000449449602 310063026 /nfs/dbraw/zinc/06/30/26/310063026.db2.gz MANGONUAQPXTFU-VBSBHUPXSA-N 2 1 330.516 3.426 20 0 EGADMP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000449714819 310082153 /nfs/dbraw/zinc/08/21/53/310082153.db2.gz AEMLWOVEJCYMOM-GUDVDZBRSA-N 2 1 330.516 3.284 20 0 EGADMP CSCC[NH+](C)Cc1cc(C[N@H+](C)CCSC)ccc1F ZINC000450494780 310126273 /nfs/dbraw/zinc/12/62/73/310126273.db2.gz OSSXEQLHJWJTPN-UHFFFAOYSA-N 2 1 330.538 3.415 20 0 EGADMP CSCC[NH+](C)Cc1ccc(F)c(C[N@H+](C)CCSC)c1 ZINC000450494780 310126274 /nfs/dbraw/zinc/12/62/74/310126274.db2.gz OSSXEQLHJWJTPN-UHFFFAOYSA-N 2 1 330.538 3.415 20 0 EGADMP CSCC[NH+](C)Cc1ccc(F)c(C[N@@H+](C)CCSC)c1 ZINC000450494780 310126275 /nfs/dbraw/zinc/12/62/75/310126275.db2.gz OSSXEQLHJWJTPN-UHFFFAOYSA-N 2 1 330.538 3.415 20 0 EGADMP C[C@@H]1C[N@@H+](CC/C=C/c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000450651821 310135210 /nfs/dbraw/zinc/13/52/10/310135210.db2.gz LZCWYOQVJDWWLU-ZAOIQFLMSA-N 2 1 327.516 3.190 20 0 EGADMP Cc1c[nH+]ccc1OC1CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450867599 310146797 /nfs/dbraw/zinc/14/67/97/310146797.db2.gz HHKRKSZMWFXTQQ-GOSISDBHSA-N 2 1 331.504 3.496 20 0 EGADMP Cc1c[nH+]ccc1OC1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450867599 310146798 /nfs/dbraw/zinc/14/67/98/310146798.db2.gz HHKRKSZMWFXTQQ-GOSISDBHSA-N 2 1 331.504 3.496 20 0 EGADMP CC(=O)c1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000450890650 310148230 /nfs/dbraw/zinc/14/82/30/310148230.db2.gz WECGNGNNZLMNEQ-SZPZYZBQSA-N 2 1 334.463 3.453 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CCC3=CCCCC3)C2)CC1 ZINC000451534933 310183621 /nfs/dbraw/zinc/18/36/21/310183621.db2.gz ZHDHMFBEKJVBOL-OAQYLSRUSA-N 2 1 347.547 3.143 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CCC3=CCCCC3)C2)CC1 ZINC000451534933 310183622 /nfs/dbraw/zinc/18/36/22/310183622.db2.gz ZHDHMFBEKJVBOL-OAQYLSRUSA-N 2 1 347.547 3.143 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC000451534933 310183623 /nfs/dbraw/zinc/18/36/23/310183623.db2.gz ZHDHMFBEKJVBOL-OAQYLSRUSA-N 2 1 347.547 3.143 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CCC3=CCCCC3)C2)CC1 ZINC000451534933 310183624 /nfs/dbraw/zinc/18/36/24/310183624.db2.gz ZHDHMFBEKJVBOL-OAQYLSRUSA-N 2 1 347.547 3.143 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453080672 310256689 /nfs/dbraw/zinc/25/66/89/310256689.db2.gz FQPTWYNHGKVMCB-ROUUACIJSA-N 2 1 333.863 3.225 20 0 EGADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c2nccn21 ZINC000453092983 310257406 /nfs/dbraw/zinc/25/74/06/310257406.db2.gz ROWWQUXBWNTVFX-INMHGKMJSA-N 2 1 330.501 3.452 20 0 EGADMP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C12CCC2 ZINC000453101045 310257934 /nfs/dbraw/zinc/25/79/34/310257934.db2.gz YOPBALJHKWSJIX-WOJBJXKFSA-N 2 1 328.500 3.241 20 0 EGADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453105791 310258255 /nfs/dbraw/zinc/25/82/55/310258255.db2.gz CMDZYHBPECLKGS-FAJAVTLNSA-N 2 1 348.556 3.132 20 0 EGADMP OCCCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453106375 310258359 /nfs/dbraw/zinc/25/83/59/310258359.db2.gz YTLHQHNNIPOMLT-AQNXPRMDSA-N 2 1 348.556 3.135 20 0 EGADMP COC1([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCOCC1 ZINC000453118116 310259106 /nfs/dbraw/zinc/25/91/06/310259106.db2.gz ALAIJRMWUPBPFQ-HBFSDRIKSA-N 2 1 346.515 3.213 20 0 EGADMP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCOCC1 ZINC000453118116 310259107 /nfs/dbraw/zinc/25/91/07/310259107.db2.gz ALAIJRMWUPBPFQ-HBFSDRIKSA-N 2 1 346.515 3.213 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3cnccn3)[C@@H]3CCC[C@H]32)cc1 ZINC000453172466 310262369 /nfs/dbraw/zinc/26/23/69/310262369.db2.gz XWHWPTKGOHERNT-PCCBWWKXSA-N 2 1 336.483 3.052 20 0 EGADMP Cc1c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cnn1C ZINC000453172671 310262414 /nfs/dbraw/zinc/26/24/14/310262414.db2.gz IKTKQFVIUANXEM-NJDAHSKKSA-N 2 1 338.499 3.261 20 0 EGADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cs1 ZINC000453194782 310263363 /nfs/dbraw/zinc/26/33/63/310263363.db2.gz ICACOMVRXUGNSY-HNAYVOBHSA-N 2 1 330.497 3.474 20 0 EGADMP OC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C1CC1 ZINC000453208081 310264059 /nfs/dbraw/zinc/26/40/59/310264059.db2.gz AJWTZLVOHGDOTO-UWHLTILDSA-N 2 1 328.500 3.038 20 0 EGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000453247169 310266374 /nfs/dbraw/zinc/26/63/74/310266374.db2.gz DLDKFYCLYMEANL-MJGOQNOKSA-N 2 1 341.503 3.428 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000453407463 310275294 /nfs/dbraw/zinc/27/52/94/310275294.db2.gz RWXNXUGYYUZDCF-AZUAARDMSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H]([NH2+]CCCC[NH+](C)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453407463 310275295 /nfs/dbraw/zinc/27/52/95/310275295.db2.gz RWXNXUGYYUZDCF-AZUAARDMSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H]([NH2+]CCCC[NH+](C)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453407463 310275296 /nfs/dbraw/zinc/27/52/96/310275296.db2.gz RWXNXUGYYUZDCF-AZUAARDMSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000453407463 310275297 /nfs/dbraw/zinc/27/52/97/310275297.db2.gz RWXNXUGYYUZDCF-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000453407463 310275298 /nfs/dbraw/zinc/27/52/98/310275298.db2.gz RWXNXUGYYUZDCF-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(-c2ccnn2C)c1 ZINC000453598590 310283435 /nfs/dbraw/zinc/28/34/35/310283435.db2.gz PTKWVTCJMLTJJY-UHFFFAOYSA-N 2 1 326.488 3.360 20 0 EGADMP Cc1cc(NC(=O)NCCCC[NH+]2CCC(C)CC2)cn2cc[nH+]c12 ZINC000455673515 310372299 /nfs/dbraw/zinc/37/22/99/310372299.db2.gz ZRZCHRWYPWWHFI-UHFFFAOYSA-N 2 1 343.475 3.276 20 0 EGADMP CC1=CC[N@@H+](CCNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455843306 310379225 /nfs/dbraw/zinc/37/92/25/310379225.db2.gz GKULYJKDOVYHGM-LJQANCHMSA-N 2 1 342.487 3.009 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455872781 310380508 /nfs/dbraw/zinc/38/05/08/310380508.db2.gz ZDLYBKMQGUOOKU-KSSFIOAISA-N 2 1 332.492 3.086 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)N1CCCCCC1 ZINC000482155442 310927350 /nfs/dbraw/zinc/92/73/50/310927350.db2.gz ZHNQEDVQNICLFV-QYZOEREBSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CS1 ZINC000488447155 311066157 /nfs/dbraw/zinc/06/61/57/311066157.db2.gz ZKLIRRRNEQDBBW-WSTZPKSXSA-N 2 1 348.556 3.133 20 0 EGADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CS1 ZINC000488447155 311066158 /nfs/dbraw/zinc/06/61/58/311066158.db2.gz ZKLIRRRNEQDBBW-WSTZPKSXSA-N 2 1 348.556 3.133 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(N2CCOC2=O)c1 ZINC000496081877 311658855 /nfs/dbraw/zinc/65/88/55/311658855.db2.gz DHDICFOIWDXNFR-FASAQXTFSA-N 2 1 337.423 3.439 20 0 EGADMP C[C@@H](NCC[N@@H+](C)C1CCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709146 312100269 /nfs/dbraw/zinc/10/02/69/312100269.db2.gz FWFJCBYOJGYCOJ-QUCCMNQESA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H](NCC[NH+](C)C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508709146 312100270 /nfs/dbraw/zinc/10/02/70/312100270.db2.gz FWFJCBYOJGYCOJ-QUCCMNQESA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H](NCC[NH+](C)C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709146 312100273 /nfs/dbraw/zinc/10/02/73/312100273.db2.gz FWFJCBYOJGYCOJ-QUCCMNQESA-N 3 1 329.532 3.361 20 0 EGADMP CC[C@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000508714058 312100680 /nfs/dbraw/zinc/10/06/80/312100680.db2.gz GUXVYZBBZBOGMO-SESVDKBCSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](CCc1c(F)cccc1F)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000510961728 312151839 /nfs/dbraw/zinc/15/18/39/312151839.db2.gz NLPOCLGBVPYVOG-CVEARBPZSA-N 2 1 340.458 3.376 20 0 EGADMP C[C@H](CCc1c(F)cccc1F)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000510961728 312151842 /nfs/dbraw/zinc/15/18/42/312151842.db2.gz NLPOCLGBVPYVOG-CVEARBPZSA-N 2 1 340.458 3.376 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(CC(C)C)C(C)C)CC1 ZINC000512267505 312181292 /nfs/dbraw/zinc/18/12/92/312181292.db2.gz XIENEZUPHPVXLW-UHFFFAOYSA-N 2 1 339.568 3.323 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@H](C)CC(C)C)CC1 ZINC000512266413 312181314 /nfs/dbraw/zinc/18/13/14/312181314.db2.gz SYIWOQFJORXJQO-GOSISDBHSA-N 2 1 339.568 3.323 20 0 EGADMP Fc1ccc(Cl)cc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000512394293 312184306 /nfs/dbraw/zinc/18/43/06/312184306.db2.gz BEYVGODVJZIWJL-UHFFFAOYSA-N 2 1 340.870 3.413 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCOCC4CC4)[C@@H]3C2)cc1 ZINC000512643734 312191086 /nfs/dbraw/zinc/19/10/86/312191086.db2.gz XYZYBEKFMRNBRD-PWRODBHTSA-N 2 1 328.500 3.303 20 0 EGADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000515496259 312285859 /nfs/dbraw/zinc/28/58/59/312285859.db2.gz MJFQNBJGQPRQSS-MISYRCLQSA-N 2 1 327.472 3.294 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc(C)cc2)C(C)(C)C)CC1 ZINC000528591822 313125563 /nfs/dbraw/zinc/12/55/63/313125563.db2.gz KOGYNYJMAKRNQI-UHFFFAOYSA-N 2 1 345.531 3.196 20 0 EGADMP COc1cc(CN(C)C[C@H]2CCC[N@@H+](C)C2)cc(C(F)(F)F)c1 ZINC000529524887 313343039 /nfs/dbraw/zinc/34/30/39/313343039.db2.gz ZRWPFSQXVQETLA-ZDUSSCGKSA-N 2 1 330.394 3.488 20 0 EGADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc(C(F)(F)F)c1 ZINC000529524887 313343053 /nfs/dbraw/zinc/34/30/53/313343053.db2.gz ZRWPFSQXVQETLA-ZDUSSCGKSA-N 2 1 330.394 3.488 20 0 EGADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc(C(F)(F)F)c1 ZINC000529524887 313343057 /nfs/dbraw/zinc/34/30/57/313343057.db2.gz ZRWPFSQXVQETLA-ZDUSSCGKSA-N 2 1 330.394 3.488 20 0 EGADMP C[NH2+]CCC1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000070188790 454167359 /nfs/dbraw/zinc/16/73/59/454167359.db2.gz ZEZREEQYXKVZQN-UHFFFAOYSA-N 2 1 329.257 3.410 20 0 EGADMP CC[C@H](C[C@H](C)CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000531984156 313739528 /nfs/dbraw/zinc/73/95/28/313739528.db2.gz BBUGUZBSBKLHQC-QFBILLFUSA-N 2 1 336.495 3.219 20 0 EGADMP CC(C)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000537992211 314222569 /nfs/dbraw/zinc/22/25/69/314222569.db2.gz ZPPRDXPHCNKQRM-KKXYHZGYSA-N 2 1 343.559 3.388 20 0 EGADMP CC(C)[C@H](CN[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000537992211 314222571 /nfs/dbraw/zinc/22/25/71/314222571.db2.gz ZPPRDXPHCNKQRM-KKXYHZGYSA-N 2 1 343.559 3.388 20 0 EGADMP CC(C)[C@H](CN[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000537992211 314222573 /nfs/dbraw/zinc/22/25/73/314222573.db2.gz ZPPRDXPHCNKQRM-KKXYHZGYSA-N 2 1 343.559 3.388 20 0 EGADMP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000537992211 314222578 /nfs/dbraw/zinc/22/25/78/314222578.db2.gz ZPPRDXPHCNKQRM-KKXYHZGYSA-N 2 1 343.559 3.388 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000539407562 314312109 /nfs/dbraw/zinc/31/21/09/314312109.db2.gz NKHKDRRIBVQZFQ-FXAWDEMLSA-N 2 1 334.504 3.231 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC)C2(CC)CC)[C@@H](C)C1 ZINC000540157389 314366399 /nfs/dbraw/zinc/36/63/99/314366399.db2.gz WXMJZQZHUWMBPA-INDMIFKZSA-N 2 1 340.552 3.307 20 0 EGADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCc2cccc(Br)c2C1)C1CC1 ZINC000550097971 315116420 /nfs/dbraw/zinc/11/64/20/315116420.db2.gz SRVCMJVBCCNQRJ-RHSMWYFYSA-N 2 1 337.305 3.236 20 0 EGADMP Cc1[nH]nc2ncc(C[NH2+]C[C@H]3CCC[N@H+](C)[C@@H]3c3ccccc3)cc12 ZINC000551806207 315170017 /nfs/dbraw/zinc/17/00/17/315170017.db2.gz JAXACJQMCQMLBJ-UYAOXDASSA-N 2 1 349.482 3.439 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000552919351 315237679 /nfs/dbraw/zinc/23/76/79/315237679.db2.gz ANFXGCHIWRZEKA-BQJIDLTASA-N 2 1 341.499 3.141 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000555525198 315387842 /nfs/dbraw/zinc/38/78/42/315387842.db2.gz YMKQYEQMQRMKGX-ZFWWWQNUSA-N 2 1 337.305 3.238 20 0 EGADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)s1 ZINC000092739875 454621887 /nfs/dbraw/zinc/62/18/87/454621887.db2.gz XAPBADOEBJDMEP-KGLIPLIRSA-N 2 1 325.522 3.023 20 0 EGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cccc(N2CCOCC2)c1 ZINC000563880226 316084636 /nfs/dbraw/zinc/08/46/36/316084636.db2.gz WTVJEIPFNTXSGG-OXJNMPFZSA-N 2 1 331.504 3.081 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000563893451 316087057 /nfs/dbraw/zinc/08/70/57/316087057.db2.gz ACOYYUGWLFWPLY-UHFFFAOYSA-N 2 1 349.906 3.475 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]12 ZINC000564070210 316108252 /nfs/dbraw/zinc/10/82/52/316108252.db2.gz PXIMPWUNAQFMQT-CWJKEVGVSA-N 2 1 329.532 3.215 20 0 EGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000564070210 316108257 /nfs/dbraw/zinc/10/82/57/316108257.db2.gz PXIMPWUNAQFMQT-CWJKEVGVSA-N 2 1 329.532 3.215 20 0 EGADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000564070210 316108261 /nfs/dbraw/zinc/10/82/61/316108261.db2.gz PXIMPWUNAQFMQT-CWJKEVGVSA-N 2 1 329.532 3.215 20 0 EGADMP CC(C)[N@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000564319468 316135442 /nfs/dbraw/zinc/13/54/42/316135442.db2.gz SNOLSPAYLBNFMQ-CEWLAPEOSA-N 2 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000564319468 316135444 /nfs/dbraw/zinc/13/54/44/316135444.db2.gz SNOLSPAYLBNFMQ-CEWLAPEOSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000564319468 316135448 /nfs/dbraw/zinc/13/54/48/316135448.db2.gz SNOLSPAYLBNFMQ-CEWLAPEOSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000564319468 316135452 /nfs/dbraw/zinc/13/54/52/316135452.db2.gz SNOLSPAYLBNFMQ-CEWLAPEOSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000564319468 316135455 /nfs/dbraw/zinc/13/54/55/316135455.db2.gz SNOLSPAYLBNFMQ-CEWLAPEOSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000564319468 316135459 /nfs/dbraw/zinc/13/54/59/316135459.db2.gz SNOLSPAYLBNFMQ-CEWLAPEOSA-N 3 1 329.532 3.217 20 0 EGADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000564319468 316135462 /nfs/dbraw/zinc/13/54/62/316135462.db2.gz SNOLSPAYLBNFMQ-CEWLAPEOSA-N 3 1 329.532 3.217 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[NH2+]Cc2ccccc21)c1ccccc1 ZINC000565042052 316254288 /nfs/dbraw/zinc/25/42/88/316254288.db2.gz UWNRFDUVEDASGT-HXUWFJFHSA-N 2 1 337.467 3.206 20 0 EGADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000565527117 316336002 /nfs/dbraw/zinc/33/60/02/316336002.db2.gz FKOMYXWLLGSNQX-HXUWFJFHSA-N 2 1 344.547 3.114 20 0 EGADMP CC[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C(C)(C)C ZINC000565666484 316354394 /nfs/dbraw/zinc/35/43/94/316354394.db2.gz REXVHLPTSOJMDU-GOSISDBHSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000565828645 316374908 /nfs/dbraw/zinc/37/49/08/316374908.db2.gz XNETTXPUFXSKPW-WMLDXEAASA-N 2 1 344.421 3.321 20 0 EGADMP C[C@H]1C[C@@H](N(C)Cc2ncccc2O)CC[N@H+]1Cc1ccccc1 ZINC000572407682 317334310 /nfs/dbraw/zinc/33/43/10/317334310.db2.gz DBLBYHNPEAFOHT-WMZOPIPTSA-N 2 1 325.456 3.272 20 0 EGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ncccc2O)CCN1Cc1ccccc1 ZINC000572407682 317334312 /nfs/dbraw/zinc/33/43/12/317334312.db2.gz DBLBYHNPEAFOHT-WMZOPIPTSA-N 2 1 325.456 3.272 20 0 EGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ncccc2O)CCN1Cc1ccccc1 ZINC000572407682 317334316 /nfs/dbraw/zinc/33/43/16/317334316.db2.gz DBLBYHNPEAFOHT-WMZOPIPTSA-N 2 1 325.456 3.272 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000572734965 317384556 /nfs/dbraw/zinc/38/45/56/317384556.db2.gz HKWRBRIMCCFBDW-UHFFFAOYSA-N 2 1 332.492 3.134 20 0 EGADMP C[C@@H]1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000382720141 324253023 /nfs/dbraw/zinc/25/30/23/324253023.db2.gz LICUSGFVNVATTD-YZGWKJHDSA-N 2 1 343.515 3.017 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@@H]4CC[NH+]5CCCC[C@@H]45)[C@@H]3C2)cc1 ZINC000385803315 324263718 /nfs/dbraw/zinc/26/37/18/324263718.db2.gz KKXWGCYTCJSPEN-PPGORRQASA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[C@H](N[C@@H]4CC[N@@H+]5CCCC[C@@H]45)[C@@H]3C2)cc1 ZINC000385803315 324263719 /nfs/dbraw/zinc/26/37/19/324263719.db2.gz KKXWGCYTCJSPEN-PPGORRQASA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CC[C@H](N[C@@H]4CC[N@H+]5CCCC[C@@H]45)[C@@H]3C2)cc1 ZINC000385803315 324263722 /nfs/dbraw/zinc/26/37/22/324263722.db2.gz KKXWGCYTCJSPEN-PPGORRQASA-N 2 1 339.527 3.113 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOCC(F)(F)F ZINC000397976702 324295133 /nfs/dbraw/zinc/29/51/33/324295133.db2.gz KYPYLOXGFQGMCS-DOTOQJQBSA-N 2 1 344.421 3.456 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOCC(F)(F)F ZINC000397976702 324295135 /nfs/dbraw/zinc/29/51/35/324295135.db2.gz KYPYLOXGFQGMCS-DOTOQJQBSA-N 2 1 344.421 3.456 20 0 EGADMP O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000581380832 325356985 /nfs/dbraw/zinc/35/69/85/325356985.db2.gz GXCUPYZEEFBYME-NMLBUPMWSA-N 2 1 341.499 3.003 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000581696547 325383041 /nfs/dbraw/zinc/38/30/41/325383041.db2.gz PXIMPWUNAQFMQT-MJUUVYJYSA-N 2 1 329.532 3.215 20 0 EGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000581696547 325383042 /nfs/dbraw/zinc/38/30/42/325383042.db2.gz PXIMPWUNAQFMQT-MJUUVYJYSA-N 2 1 329.532 3.215 20 0 EGADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000581696547 325383043 /nfs/dbraw/zinc/38/30/43/325383043.db2.gz PXIMPWUNAQFMQT-MJUUVYJYSA-N 2 1 329.532 3.215 20 0 EGADMP Cc1cc(N2CCC([NH2+]Cc3cccc4cc[nH]c43)CC2)nc(C)[nH+]1 ZINC000237809886 455221774 /nfs/dbraw/zinc/22/17/74/455221774.db2.gz ZCJGLHKTSBAMHE-UHFFFAOYSA-N 2 1 335.455 3.333 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000183120641 455233180 /nfs/dbraw/zinc/23/31/80/455233180.db2.gz CIBKGZQPYHZGSX-XLIONFOSSA-N 2 1 339.483 3.099 20 0 EGADMP Cc1cc(F)c(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(Cl)c1 ZINC000459408234 458361051 /nfs/dbraw/zinc/36/10/51/458361051.db2.gz ISFIFYAMWHKLOT-CQSZACIVSA-N 2 1 328.859 3.114 20 0 EGADMP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183138883 455237170 /nfs/dbraw/zinc/23/71/70/455237170.db2.gz ZBOSYAZLIOXJAW-FDFHNCONSA-N 3 1 341.543 3.219 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000264592719 455244556 /nfs/dbraw/zinc/24/45/56/455244556.db2.gz RBWUQHXBMOBRAU-IBGZPJMESA-N 2 1 325.456 3.380 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000264592719 455244559 /nfs/dbraw/zinc/24/45/59/455244559.db2.gz RBWUQHXBMOBRAU-IBGZPJMESA-N 2 1 325.456 3.380 20 0 EGADMP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443059017 459078749 /nfs/dbraw/zinc/07/87/49/459078749.db2.gz LOYYGFYHSDSICB-VXGBXAGGSA-N 2 1 344.286 3.381 20 0 EGADMP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443059017 459078755 /nfs/dbraw/zinc/07/87/55/459078755.db2.gz LOYYGFYHSDSICB-VXGBXAGGSA-N 2 1 344.286 3.381 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC000496771337 459317623 /nfs/dbraw/zinc/31/76/23/459317623.db2.gz JTHICFIUMVDQEF-HOTGVXAUSA-N 2 1 327.513 3.048 20 0 EGADMP C[C@H]1C[C@H](N(C)C(=O)[C@]2(C)CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000181006337 455275400 /nfs/dbraw/zinc/27/54/00/455275400.db2.gz LXGUEJDYJWISKE-DSKINZAPSA-N 2 1 343.515 3.030 20 0 EGADMP COc1cc(CNC2CC[NH+](CCOC(C)C)CC2)ccc1Cl ZINC000623438977 460550948 /nfs/dbraw/zinc/55/09/48/460550948.db2.gz RFSPPSOOQWKWNI-UHFFFAOYSA-N 2 1 340.895 3.328 20 0 EGADMP COc1cc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)ccc1Cl ZINC000623438977 460550958 /nfs/dbraw/zinc/55/09/58/460550958.db2.gz RFSPPSOOQWKWNI-UHFFFAOYSA-N 2 1 340.895 3.328 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2sc(CCOC)nc2C)C1 ZINC000245611817 455341131 /nfs/dbraw/zinc/34/11/31/455341131.db2.gz ODGJVGUAARCCDK-HIFRSBDPSA-N 2 1 325.522 3.023 20 0 EGADMP CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000075022712 453853796 /nfs/dbraw/zinc/85/37/96/453853796.db2.gz VRGPGNLUTNSLJQ-XLIONFOSSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2cccc(O)c2)C[C@H](C)O1 ZINC000069833277 454151091 /nfs/dbraw/zinc/15/10/91/454151091.db2.gz AKEYABJTUXMBED-CALCHBBNSA-N 2 1 340.467 3.291 20 0 EGADMP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000089513708 454158121 /nfs/dbraw/zinc/15/81/21/454158121.db2.gz DVVCLHLKTDBPQZ-GJYPPUQNSA-N 2 1 331.504 3.491 20 0 EGADMP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000089513708 454158123 /nfs/dbraw/zinc/15/81/23/454158123.db2.gz DVVCLHLKTDBPQZ-GJYPPUQNSA-N 2 1 331.504 3.491 20 0 EGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000265981725 455420124 /nfs/dbraw/zinc/42/01/24/455420124.db2.gz BRJCWCHCILXMLG-GJZGRUSLSA-N 2 1 340.414 3.003 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCCOc2cccc3cccnc32)[C@H](C)C1 ZINC000089627533 454170164 /nfs/dbraw/zinc/17/01/64/454170164.db2.gz DAHGMOASRJRVOL-AEFFLSMTSA-N 2 1 327.472 3.324 20 0 EGADMP c1sc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)nc1-c1ccncc1 ZINC000089669112 454175610 /nfs/dbraw/zinc/17/56/10/454175610.db2.gz QVOLFPDIGBJKLE-DLBZAZTESA-N 2 1 342.512 3.354 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000090234753 454297058 /nfs/dbraw/zinc/29/70/58/454297058.db2.gz NVCXUXSGAQOASI-UKRRQHHQSA-N 2 1 330.394 3.448 20 0 EGADMP CCC(CC)(C[NH2+][C@H]1CCNC(=O)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000634962873 460632017 /nfs/dbraw/zinc/63/20/17/460632017.db2.gz DQPKNOFZXNKIAC-FUHWJXTLSA-N 2 1 331.504 3.154 20 0 EGADMP Cc1cc2ncn(C[C@H](O)C[N@H+]3CCc4ccsc4C3)c2cc1C ZINC000132931737 454378136 /nfs/dbraw/zinc/37/81/36/454378136.db2.gz IXQSKTWBZGVCAP-MRXNPFEDSA-N 2 1 341.480 3.134 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC34CC5CC(CC(C5)C3)C4)C2)CC1 ZINC000132982949 454382427 /nfs/dbraw/zinc/38/24/27/454382427.db2.gz HKLVNGYDUUQBQA-DLBGWFIVSA-N 2 1 345.575 3.305 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000121499809 454444139 /nfs/dbraw/zinc/44/41/39/454444139.db2.gz JVUVUWDEXVGJIL-DLBZAZTESA-N 2 1 337.471 3.423 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)c1 ZINC000101652932 454479308 /nfs/dbraw/zinc/47/93/08/454479308.db2.gz LTPNDMLAGPPHEP-IXDOHACOSA-N 2 1 331.504 3.016 20 0 EGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000101652932 454479314 /nfs/dbraw/zinc/47/93/14/454479314.db2.gz LTPNDMLAGPPHEP-IXDOHACOSA-N 2 1 331.504 3.016 20 0 EGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000101652932 454479320 /nfs/dbraw/zinc/47/93/20/454479320.db2.gz LTPNDMLAGPPHEP-IXDOHACOSA-N 2 1 331.504 3.016 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3)C2)CC1 ZINC000101727871 454481484 /nfs/dbraw/zinc/48/14/84/454481484.db2.gz UZYBUNCUZCTIQC-LJQANCHMSA-N 2 1 343.515 3.459 20 0 EGADMP Fc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1Cl ZINC000134133804 454507356 /nfs/dbraw/zinc/50/73/56/454507356.db2.gz PQJDRYQRBPATPA-UHFFFAOYSA-N 2 1 326.843 3.023 20 0 EGADMP c1cc2[nH+]ccc(N3CCC(OCC[NH+]4CCCC4)CC3)c2s1 ZINC000266772605 455450171 /nfs/dbraw/zinc/45/01/71/455450171.db2.gz YLPJMNFWZHCSNQ-UHFFFAOYSA-N 2 1 331.485 3.378 20 0 EGADMP Cc1nn(C)c(C)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080338881 454568028 /nfs/dbraw/zinc/56/80/28/454568028.db2.gz RUDPODPCTNWVKH-BEFAXECRSA-N 2 1 326.488 3.180 20 0 EGADMP Cc1nn(C)c(C)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080338881 454568035 /nfs/dbraw/zinc/56/80/35/454568035.db2.gz RUDPODPCTNWVKH-BEFAXECRSA-N 2 1 326.488 3.180 20 0 EGADMP Cc1cnn(CCCCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134926383 454611505 /nfs/dbraw/zinc/61/15/05/454611505.db2.gz DEOIMMUIDVPBPD-UYAOXDASSA-N 2 1 330.520 3.311 20 0 EGADMP Cc1cnn(CCCCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134926383 454611508 /nfs/dbraw/zinc/61/15/08/454611508.db2.gz DEOIMMUIDVPBPD-UYAOXDASSA-N 2 1 330.520 3.311 20 0 EGADMP Cc1cnn(CCCCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134926383 454611511 /nfs/dbraw/zinc/61/15/11/454611511.db2.gz DEOIMMUIDVPBPD-UYAOXDASSA-N 2 1 330.520 3.311 20 0 EGADMP CCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000123390997 454632283 /nfs/dbraw/zinc/63/22/83/454632283.db2.gz CUPWHPAWOCDVBB-KSZLIROESA-N 2 1 345.531 3.169 20 0 EGADMP CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000135094923 454633712 /nfs/dbraw/zinc/63/37/12/454633712.db2.gz NUHVRSJZPUGELT-GOSISDBHSA-N 2 1 330.472 3.170 20 0 EGADMP CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000135094923 454633718 /nfs/dbraw/zinc/63/37/18/454633718.db2.gz NUHVRSJZPUGELT-GOSISDBHSA-N 2 1 330.472 3.170 20 0 EGADMP CCc1nnc([C@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000092821374 454640582 /nfs/dbraw/zinc/64/05/82/454640582.db2.gz IOBKCLXJSNMCLK-HNNXBMFYSA-N 2 1 343.475 3.327 20 0 EGADMP CCc1nnc([C@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000092821374 454640589 /nfs/dbraw/zinc/64/05/89/454640589.db2.gz IOBKCLXJSNMCLK-HNNXBMFYSA-N 2 1 343.475 3.327 20 0 EGADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000123530612 454648701 /nfs/dbraw/zinc/64/87/01/454648701.db2.gz BUGCUIBAZPRCCV-URLQWDBASA-N 2 1 326.488 3.307 20 0 EGADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000123531098 454649044 /nfs/dbraw/zinc/64/90/44/454649044.db2.gz BUGCUIBAZPRCCV-ZSZQSSIHSA-N 2 1 326.488 3.307 20 0 EGADMP CN(C)C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000635002862 460646146 /nfs/dbraw/zinc/64/61/46/460646146.db2.gz ALXWWWZBKLKDQZ-XHSDSOJGSA-N 2 1 329.410 3.168 20 0 EGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000066139509 454659527 /nfs/dbraw/zinc/65/95/27/454659527.db2.gz KTTIAXYICDVECO-INIZCTEOSA-N 2 1 331.504 3.131 20 0 EGADMP CC[C@H](C)[NH+](C)CCNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000066139509 454659530 /nfs/dbraw/zinc/65/95/30/454659530.db2.gz KTTIAXYICDVECO-INIZCTEOSA-N 2 1 331.504 3.131 20 0 EGADMP CC[C@H](C)[NH+](C)CCNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000066139509 454659535 /nfs/dbraw/zinc/65/95/35/454659535.db2.gz KTTIAXYICDVECO-INIZCTEOSA-N 2 1 331.504 3.131 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc4cc(C)c(C)cc4o3)C2)CC1 ZINC000093133119 454686625 /nfs/dbraw/zinc/68/66/25/454686625.db2.gz LHHDXGCAFQYUBP-IBGZPJMESA-N 2 1 341.499 3.261 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000093200769 454691600 /nfs/dbraw/zinc/69/16/00/454691600.db2.gz JXDVOMPMWFSPAG-KRWDZBQOSA-N 2 1 330.480 3.024 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000093200769 454691604 /nfs/dbraw/zinc/69/16/04/454691604.db2.gz JXDVOMPMWFSPAG-KRWDZBQOSA-N 2 1 330.480 3.024 20 0 EGADMP C[C@H]1C[C@@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000124021312 454694004 /nfs/dbraw/zinc/69/40/04/454694004.db2.gz KZRXQTJNXDABOW-RDJZCZTQSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@H]1C[C@@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000124021312 454694007 /nfs/dbraw/zinc/69/40/07/454694007.db2.gz KZRXQTJNXDABOW-RDJZCZTQSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@H]1C[C@@H]([N@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1C ZINC000124021312 454694010 /nfs/dbraw/zinc/69/40/10/454694010.db2.gz KZRXQTJNXDABOW-RDJZCZTQSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1C ZINC000124021312 454694012 /nfs/dbraw/zinc/69/40/12/454694012.db2.gz KZRXQTJNXDABOW-RDJZCZTQSA-N 2 1 339.524 3.048 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000152654529 454707442 /nfs/dbraw/zinc/70/74/42/454707442.db2.gz SXRAPJNJHKVVDK-DCGLDWPTSA-N 2 1 337.895 3.295 20 0 EGADMP CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000093476036 454716791 /nfs/dbraw/zinc/71/67/91/454716791.db2.gz NCXVDEUOMWFOEQ-HXUWFJFHSA-N 2 1 334.504 3.264 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(Cl)c1OC ZINC000107317469 454751558 /nfs/dbraw/zinc/75/15/58/454751558.db2.gz LGQFSYXCILFVPG-GFCCVEGCSA-N 2 1 337.851 3.288 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000162183516 454757700 /nfs/dbraw/zinc/75/77/00/454757700.db2.gz NPWKXGGPZIJMKV-IBGZPJMESA-N 2 1 335.492 3.022 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c2ccccc2n1 ZINC000124851996 454776039 /nfs/dbraw/zinc/77/60/39/454776039.db2.gz ZBNUDKIXKQYCGU-GOSISDBHSA-N 2 1 339.483 3.087 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c2ccccc2n1 ZINC000124852258 454776279 /nfs/dbraw/zinc/77/62/79/454776279.db2.gz ZBNUDKIXKQYCGU-SFHVURJKSA-N 2 1 339.483 3.087 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCN(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000125162600 454801620 /nfs/dbraw/zinc/80/16/20/454801620.db2.gz TYWCIGDWQPRJPP-MOPGFXCFSA-N 2 1 328.456 3.300 20 0 EGADMP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000125162600 454801623 /nfs/dbraw/zinc/80/16/23/454801623.db2.gz TYWCIGDWQPRJPP-MOPGFXCFSA-N 2 1 328.456 3.300 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000125162600 454801627 /nfs/dbraw/zinc/80/16/27/454801627.db2.gz TYWCIGDWQPRJPP-MOPGFXCFSA-N 2 1 328.456 3.300 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000125162600 454801629 /nfs/dbraw/zinc/80/16/29/454801629.db2.gz TYWCIGDWQPRJPP-MOPGFXCFSA-N 2 1 328.456 3.300 20 0 EGADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000125162600 454801633 /nfs/dbraw/zinc/80/16/33/454801633.db2.gz TYWCIGDWQPRJPP-MOPGFXCFSA-N 2 1 328.456 3.300 20 0 EGADMP COc1cccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000177189085 454834237 /nfs/dbraw/zinc/83/42/37/454834237.db2.gz PHAKHXKZYWTPHB-KRWDZBQOSA-N 2 1 340.467 3.378 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000153801780 454834514 /nfs/dbraw/zinc/83/45/14/454834514.db2.gz KBNQSPFWZJTTAC-MRXNPFEDSA-N 2 1 346.393 3.130 20 0 EGADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)c2)CC1 ZINC000126421028 454892124 /nfs/dbraw/zinc/89/21/24/454892124.db2.gz KQRIAAGCBGEEMF-WIYYLYMNSA-N 3 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCN(C)[C@H](C)C3)c2)CC1 ZINC000126421028 454892130 /nfs/dbraw/zinc/89/21/30/454892130.db2.gz KQRIAAGCBGEEMF-WIYYLYMNSA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2cccc(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)c2)CC1 ZINC000126421028 454892134 /nfs/dbraw/zinc/89/21/34/454892134.db2.gz KQRIAAGCBGEEMF-WIYYLYMNSA-N 2 1 329.532 3.491 20 0 EGADMP CC1CC[NH+](Cc2cccc(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2)CC1 ZINC000126421028 454892138 /nfs/dbraw/zinc/89/21/38/454892138.db2.gz KQRIAAGCBGEEMF-WIYYLYMNSA-N 2 1 329.532 3.491 20 0 EGADMP CCn1cc([C@@H](C)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000165320078 454898267 /nfs/dbraw/zinc/89/82/67/454898267.db2.gz LFRWTNSMEIVYKP-IEBWSBKVSA-N 2 1 326.488 3.118 20 0 EGADMP CCn1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000165320078 454898272 /nfs/dbraw/zinc/89/82/72/454898272.db2.gz LFRWTNSMEIVYKP-IEBWSBKVSA-N 2 1 326.488 3.118 20 0 EGADMP CCn1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000165320078 454898276 /nfs/dbraw/zinc/89/82/76/454898276.db2.gz LFRWTNSMEIVYKP-IEBWSBKVSA-N 2 1 326.488 3.118 20 0 EGADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)c2cccnc12 ZINC000166551934 454913665 /nfs/dbraw/zinc/91/36/65/454913665.db2.gz TXKRRIBWGJEHQK-NWDGAFQWSA-N 2 1 334.261 3.166 20 0 EGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Br)c2cccnc12 ZINC000166551934 454913668 /nfs/dbraw/zinc/91/36/68/454913668.db2.gz TXKRRIBWGJEHQK-NWDGAFQWSA-N 2 1 334.261 3.166 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126779367 454917809 /nfs/dbraw/zinc/91/78/09/454917809.db2.gz CFYKILYZZYIVOB-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000151102131 454937386 /nfs/dbraw/zinc/93/73/86/454937386.db2.gz RQKVAZMJFJXLSR-JKSUJKDBSA-N 2 1 331.460 3.026 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000151111549 454939226 /nfs/dbraw/zinc/93/92/26/454939226.db2.gz DWINREUUQLBBGP-LSDHHAIUSA-N 2 1 336.476 3.095 20 0 EGADMP Fc1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Br ZINC000127401975 454961301 /nfs/dbraw/zinc/96/13/01/454961301.db2.gz AEROFFWDZBXALS-QWHCGFSZSA-N 2 1 327.241 3.305 20 0 EGADMP Fc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Br ZINC000127401975 454961304 /nfs/dbraw/zinc/96/13/04/454961304.db2.gz AEROFFWDZBXALS-QWHCGFSZSA-N 2 1 327.241 3.305 20 0 EGADMP Fc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Br ZINC000127401975 454961308 /nfs/dbraw/zinc/96/13/08/454961308.db2.gz AEROFFWDZBXALS-QWHCGFSZSA-N 2 1 327.241 3.305 20 0 EGADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000155107153 454963945 /nfs/dbraw/zinc/96/39/45/454963945.db2.gz DDCGDVPCOGABPR-HZPDHXFCSA-N 2 1 344.528 3.097 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)C(=O)NCC1CCCCC1 ZINC000155284420 454983654 /nfs/dbraw/zinc/98/36/54/454983654.db2.gz ZOZQDLVLNNSYHC-UHFFFAOYSA-N 2 1 334.508 3.036 20 0 EGADMP CC[C@@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[NH+]1CCCC1 ZINC000151711778 455019914 /nfs/dbraw/zinc/01/99/14/455019914.db2.gz RPRICHQERLEINH-BATSVXPKSA-N 2 1 341.499 3.283 20 0 EGADMP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000155647881 455027363 /nfs/dbraw/zinc/02/73/63/455027363.db2.gz FHFQMHUDVRIIQQ-YOEHRIQHSA-N 2 1 328.460 3.367 20 0 EGADMP CCCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H](C)c1ccccc1 ZINC000128285646 455042474 /nfs/dbraw/zinc/04/24/74/455042474.db2.gz DXFYYZKWHWSTDF-GOSISDBHSA-N 2 1 345.531 3.450 20 0 EGADMP Cc1nnc([C@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000179390185 455044016 /nfs/dbraw/zinc/04/40/16/455044016.db2.gz LXIZHSUMVAMQHG-AWEZNQCLSA-N 2 1 329.448 3.073 20 0 EGADMP Cc1nnc([C@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000179390185 455044017 /nfs/dbraw/zinc/04/40/17/455044017.db2.gz LXIZHSUMVAMQHG-AWEZNQCLSA-N 2 1 329.448 3.073 20 0 EGADMP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000156451061 455119652 /nfs/dbraw/zinc/11/96/52/455119652.db2.gz WWELZWGRSFOXON-DCGLDWPTSA-N 2 1 348.397 3.071 20 0 EGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000623656894 460663796 /nfs/dbraw/zinc/66/37/96/460663796.db2.gz FCLQRSOUSWFPCM-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000623656894 460663802 /nfs/dbraw/zinc/66/38/02/460663802.db2.gz FCLQRSOUSWFPCM-LBPRGKRZSA-N 2 1 329.257 3.410 20 0 EGADMP C[C@H](C[C@H]1CCCO1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000156736603 455147486 /nfs/dbraw/zinc/14/74/86/455147486.db2.gz JXPHNASXBXCDPA-OXQOHEQNSA-N 2 1 334.479 3.380 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000180466671 455175136 /nfs/dbraw/zinc/17/51/36/455175136.db2.gz FFKBUQUHFFEUDM-UHFFFAOYSA-N 2 1 337.511 3.393 20 0 EGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182954508 455199362 /nfs/dbraw/zinc/19/93/62/455199362.db2.gz BTUPQCHRKZQKDA-HNNXBMFYSA-N 2 1 343.437 3.336 20 0 EGADMP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3csc(C[NH3+])n3)cc2)C1 ZINC000237676374 455206095 /nfs/dbraw/zinc/20/60/95/455206095.db2.gz BLKPFHCZAGWYBP-ZDUSSCGKSA-N 2 1 344.484 3.086 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3csc(C[NH3+])n3)cc2)C1 ZINC000237676374 455206100 /nfs/dbraw/zinc/20/61/00/455206100.db2.gz BLKPFHCZAGWYBP-ZDUSSCGKSA-N 2 1 344.484 3.086 20 0 EGADMP CSc1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000173387838 455277752 /nfs/dbraw/zinc/27/77/52/455277752.db2.gz AQESTPPAHLNZTL-INIZCTEOSA-N 2 1 335.561 3.333 20 0 EGADMP Cc1ccc2c(CN(C)CC[C@H]3CCCC[N@H+]3C)cc(=O)oc2c1 ZINC000173637581 455319802 /nfs/dbraw/zinc/31/98/02/455319802.db2.gz HNOCUZREDKGZQX-QGZVFWFLSA-N 2 1 328.456 3.408 20 0 EGADMP COc1cccc(C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]2CCCO2)c1 ZINC000245582693 455335462 /nfs/dbraw/zinc/33/54/62/455335462.db2.gz JESLPPHJKPHHKM-AZUAARDMSA-N 2 1 332.488 3.161 20 0 EGADMP COc1cccc(C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]2CCCO2)c1 ZINC000245582693 455335464 /nfs/dbraw/zinc/33/54/64/455335464.db2.gz JESLPPHJKPHHKM-AZUAARDMSA-N 2 1 332.488 3.161 20 0 EGADMP COc1cccc(C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@H]2CCCO2)c1 ZINC000245582693 455335469 /nfs/dbraw/zinc/33/54/69/455335469.db2.gz JESLPPHJKPHHKM-AZUAARDMSA-N 2 1 332.488 3.161 20 0 EGADMP COc1cccc(C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@H]2CCCO2)c1 ZINC000245582693 455335471 /nfs/dbraw/zinc/33/54/71/455335471.db2.gz JESLPPHJKPHHKM-AZUAARDMSA-N 2 1 332.488 3.161 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCOCC(F)(F)F)cc1 ZINC000159357621 455371451 /nfs/dbraw/zinc/37/14/51/455371451.db2.gz YYFRHTMOHSQQOL-GFCCVEGCSA-N 2 1 327.350 3.410 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C12CCC2 ZINC000245838059 455384035 /nfs/dbraw/zinc/38/40/35/455384035.db2.gz CZNRNAHILJYGBH-QHAWAJNXSA-N 2 1 342.527 3.488 20 0 EGADMP CC[N@@H+](CCOCC(F)(F)F)CC1CCN(c2ccccn2)CC1 ZINC000174392039 455385995 /nfs/dbraw/zinc/38/59/95/455385995.db2.gz SNBRKTGHGWPKHX-UHFFFAOYSA-N 2 1 345.409 3.199 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(F)c1F ZINC000182270011 455477622 /nfs/dbraw/zinc/47/76/22/455477622.db2.gz JKBFUFBUMZIDAX-YOEHRIQHSA-N 2 1 346.421 3.382 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)C[C@H]2C(C)C)cc1)C(C)C ZINC000246630008 455513385 /nfs/dbraw/zinc/51/33/85/455513385.db2.gz FLHDIHVVMDEBRS-FQEVSTJZSA-N 2 1 345.531 3.329 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1)C(C)C ZINC000246630008 455513392 /nfs/dbraw/zinc/51/33/92/455513392.db2.gz FLHDIHVVMDEBRS-FQEVSTJZSA-N 2 1 345.531 3.329 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1)C(C)C ZINC000246630008 455513395 /nfs/dbraw/zinc/51/33/95/455513395.db2.gz FLHDIHVVMDEBRS-FQEVSTJZSA-N 2 1 345.531 3.329 20 0 EGADMP C[C@@H](c1cccnc1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000267331082 455541000 /nfs/dbraw/zinc/54/10/00/455541000.db2.gz AADTVMAIRBSOAG-KSZLIROESA-N 2 1 331.504 3.354 20 0 EGADMP COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc(OC)c1OC ZINC000247007237 455542163 /nfs/dbraw/zinc/54/21/63/455542163.db2.gz KCYODNDBKQANMJ-NUEKZKHPSA-N 2 1 336.476 3.236 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000247022345 455545743 /nfs/dbraw/zinc/54/57/43/455545743.db2.gz MZCGIXCOLKPICF-DOTOQJQBSA-N 2 1 332.488 3.055 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1Br ZINC000247044657 455550034 /nfs/dbraw/zinc/55/00/34/455550034.db2.gz OKLOCKJAPXDGCQ-SLEUVZQESA-N 2 1 341.293 3.276 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(C)CC3)nc2)[C@@H](C)C1 ZINC000247061504 455554102 /nfs/dbraw/zinc/55/41/02/455554102.db2.gz NVPVXKHDXXWWHP-PKOBYXMFSA-N 2 1 330.520 3.138 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(C)CC3)nc2)[C@@H](C)C1 ZINC000247061504 455554105 /nfs/dbraw/zinc/55/41/05/455554105.db2.gz NVPVXKHDXXWWHP-PKOBYXMFSA-N 2 1 330.520 3.138 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000247073804 455555385 /nfs/dbraw/zinc/55/53/85/455555385.db2.gz OKNBJKRPSIORKH-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)cc2)C1 ZINC000247073804 455555388 /nfs/dbraw/zinc/55/53/88/455555388.db2.gz OKNBJKRPSIORKH-OPYAIIAOSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)C1 ZINC000247073804 455555390 /nfs/dbraw/zinc/55/53/90/455555390.db2.gz OKNBJKRPSIORKH-OPYAIIAOSA-N 3 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCN(C)[C@H](C)C3)cc2)C1 ZINC000247073804 455555392 /nfs/dbraw/zinc/55/53/92/455555392.db2.gz OKNBJKRPSIORKH-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCN(C)[C@H](C)C3)cc2)C1 ZINC000247073804 455555395 /nfs/dbraw/zinc/55/53/95/455555395.db2.gz OKNBJKRPSIORKH-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000247073804 455555397 /nfs/dbraw/zinc/55/53/97/455555397.db2.gz OKNBJKRPSIORKH-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000247073804 455555400 /nfs/dbraw/zinc/55/54/00/455555400.db2.gz OKNBJKRPSIORKH-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)C1 ZINC000247073804 455555402 /nfs/dbraw/zinc/55/54/02/455555402.db2.gz OKNBJKRPSIORKH-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(CN[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)C1 ZINC000247073804 455555405 /nfs/dbraw/zinc/55/54/05/455555405.db2.gz OKNBJKRPSIORKH-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182646598 455560357 /nfs/dbraw/zinc/56/03/57/455560357.db2.gz QNPIHLBIRZJPER-IXDOHACOSA-N 2 1 339.524 3.096 20 0 EGADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000247119069 455561567 /nfs/dbraw/zinc/56/15/67/455561567.db2.gz AJLTVIARIJYCPH-YQQAZPJKSA-N 2 1 334.504 3.300 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)[C@@H](C)C1 ZINC000247230668 455576208 /nfs/dbraw/zinc/57/62/08/455576208.db2.gz YGMMOKWMEAUPJP-MAUKXSAKSA-N 2 1 332.492 3.036 20 0 EGADMP COc1cccc(OCC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185672727 455593726 /nfs/dbraw/zinc/59/37/26/455593726.db2.gz GBHUPBKMGYZXQP-IRXDYDNUSA-N 2 1 332.488 3.317 20 0 EGADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccs1 ZINC000185718246 455604479 /nfs/dbraw/zinc/60/44/79/455604479.db2.gz XDHQEPJDWJQSGT-HRCADAONSA-N 2 1 349.544 3.168 20 0 EGADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccs1 ZINC000185718246 455604484 /nfs/dbraw/zinc/60/44/84/455604484.db2.gz XDHQEPJDWJQSGT-HRCADAONSA-N 2 1 349.544 3.168 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(C)C1CCCCC1 ZINC000185732996 455609033 /nfs/dbraw/zinc/60/90/33/455609033.db2.gz DCQDFJQTWKAHHA-BZSNNMDCSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)N(C)C1CCCCC1 ZINC000185732996 455609037 /nfs/dbraw/zinc/60/90/37/455609037.db2.gz DCQDFJQTWKAHHA-BZSNNMDCSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccccc1 ZINC000185736493 455610358 /nfs/dbraw/zinc/61/03/58/455610358.db2.gz GNDSWRNADNYRCI-YESZJQIVSA-N 2 1 329.488 3.256 20 0 EGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccccc1 ZINC000185736493 455610364 /nfs/dbraw/zinc/61/03/64/455610364.db2.gz GNDSWRNADNYRCI-YESZJQIVSA-N 2 1 329.488 3.256 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185739566 455610936 /nfs/dbraw/zinc/61/09/36/455610936.db2.gz RBMGACNWGRLQAF-DLBZAZTESA-N 2 1 329.488 3.176 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185739566 455610942 /nfs/dbraw/zinc/61/09/42/455610942.db2.gz RBMGACNWGRLQAF-DLBZAZTESA-N 2 1 329.488 3.176 20 0 EGADMP COC(=O)C1CCC([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000192444008 455618562 /nfs/dbraw/zinc/61/85/62/455618562.db2.gz WUDJOXDOLDNXSN-IPJUCJBFSA-N 2 1 332.488 3.218 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000284048552 455628994 /nfs/dbraw/zinc/62/89/94/455628994.db2.gz PHBIRYBFGVWNPS-UHFFFAOYSA-N 2 1 336.439 3.105 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000271518445 455668665 /nfs/dbraw/zinc/66/86/65/455668665.db2.gz PYGZOXHLQTWCHJ-AZKPJATDSA-N 2 1 331.287 3.488 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000271518445 455668669 /nfs/dbraw/zinc/66/86/69/455668669.db2.gz PYGZOXHLQTWCHJ-AZKPJATDSA-N 2 1 331.287 3.488 20 0 EGADMP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccn1 ZINC000271524009 455671729 /nfs/dbraw/zinc/67/17/29/455671729.db2.gz PVCPRJQVVONJQZ-ZCNNSNEGSA-N 2 1 331.504 3.136 20 0 EGADMP C[C@@H]1C[C@@H](N(C)CC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000248039660 455673395 /nfs/dbraw/zinc/67/33/95/455673395.db2.gz LWPYVRYFFLFCGS-NRSPTQNISA-N 3 1 329.532 3.456 20 0 EGADMP C[C@@H]1C[C@@H](N(C)CC[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000248039660 455673397 /nfs/dbraw/zinc/67/33/97/455673397.db2.gz LWPYVRYFFLFCGS-NRSPTQNISA-N 3 1 329.532 3.456 20 0 EGADMP C[C@@H]1C[C@@H](N(C)CC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000248039660 455673398 /nfs/dbraw/zinc/67/33/98/455673398.db2.gz LWPYVRYFFLFCGS-NRSPTQNISA-N 3 1 329.532 3.456 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(NCc1ccc(F)cc1Br)C2 ZINC000192719903 455676975 /nfs/dbraw/zinc/67/69/75/455676975.db2.gz INNUUNZPWKKXPW-AGUYFDCRSA-N 2 1 327.241 3.303 20 0 EGADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000284400340 455680504 /nfs/dbraw/zinc/68/05/04/455680504.db2.gz PPUZOBCCQAKTEX-OHDICMOHSA-N 2 1 325.456 3.236 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)CC1 ZINC000192741507 455683015 /nfs/dbraw/zinc/68/30/15/455683015.db2.gz SOZAFGXUZWRWMZ-TZIWHRDSSA-N 2 1 329.532 3.281 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+]3CCCC[C@@H]23)CC[N@H+]1Cc1ccccc1 ZINC000268804450 455713855 /nfs/dbraw/zinc/71/38/55/455713855.db2.gz ZZBCNWCXTMTDER-WLRLJWMZSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC[NH+]1Cc1ccccc1 ZINC000268804450 455713862 /nfs/dbraw/zinc/71/38/62/455713862.db2.gz ZZBCNWCXTMTDER-WLRLJWMZSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC[NH+]1Cc1ccccc1 ZINC000268804450 455713868 /nfs/dbraw/zinc/71/38/68/455713868.db2.gz ZZBCNWCXTMTDER-WLRLJWMZSA-N 2 1 327.516 3.256 20 0 EGADMP COC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192923184 455719845 /nfs/dbraw/zinc/71/98/45/455719845.db2.gz JMPALJXEOZTAKB-FGZHOGPDSA-N 2 1 338.495 3.356 20 0 EGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271775276 455754591 /nfs/dbraw/zinc/75/45/91/455754591.db2.gz CLMSPSRNQSDKFM-UHFFFAOYSA-N 2 1 346.425 3.119 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000271795651 455763264 /nfs/dbraw/zinc/76/32/64/455763264.db2.gz HVBBVFFPFNFKGU-UHFFFAOYSA-N 2 1 329.669 3.454 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000284938254 455764792 /nfs/dbraw/zinc/76/47/92/455764792.db2.gz WNECGEXUIUAOOE-MRXNPFEDSA-N 2 1 349.276 3.480 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4C[C@@H]5OCCC[C@H]45)[C@@H]3C2)cc1 ZINC000250121919 455785278 /nfs/dbraw/zinc/78/52/78/455785278.db2.gz VNKFOIDBWWGRMY-VXAANUECSA-N 2 1 326.484 3.054 20 0 EGADMP CC(C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000269257620 455823545 /nfs/dbraw/zinc/82/35/45/455823545.db2.gz TWFOQBTYSVHSFB-LJQANCHMSA-N 2 1 331.504 3.051 20 0 EGADMP C[C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1ccccc1 ZINC000285403009 455836743 /nfs/dbraw/zinc/83/67/43/455836743.db2.gz VVTQIBADNWVBRQ-QFBILLFUSA-N 2 1 348.450 3.117 20 0 EGADMP C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272227409 455883331 /nfs/dbraw/zinc/88/33/31/455883331.db2.gz QURHTCMMOHHZEH-CZTZKLFOSA-N 2 1 338.495 3.394 20 0 EGADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000270272366 455917598 /nfs/dbraw/zinc/91/75/98/455917598.db2.gz WRPGZCIAKOWWRH-INIZCTEOSA-N 2 1 338.517 3.007 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000261698037 455929949 /nfs/dbraw/zinc/92/99/49/455929949.db2.gz CSLOXLKTYLRSTL-INIZCTEOSA-N 2 1 347.503 3.111 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261737399 455937961 /nfs/dbraw/zinc/93/79/61/455937961.db2.gz OUOHXEOLWVFOIB-HXUWFJFHSA-N 2 1 326.488 3.341 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261737399 455937962 /nfs/dbraw/zinc/93/79/62/455937962.db2.gz OUOHXEOLWVFOIB-HXUWFJFHSA-N 2 1 326.488 3.341 20 0 EGADMP Cc1nn(C)c(C)c1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272441443 455951703 /nfs/dbraw/zinc/95/17/03/455951703.db2.gz ISHQARVRKNPJFZ-BEFAXECRSA-N 2 1 326.488 3.037 20 0 EGADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)[C@H]1C[NH3+] ZINC000261844304 455957971 /nfs/dbraw/zinc/95/79/71/455957971.db2.gz CWSOEKTZYDVCEN-NHYWBVRUSA-N 2 1 344.286 3.381 20 0 EGADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)[C@H]1C[NH3+] ZINC000261844304 455957973 /nfs/dbraw/zinc/95/79/73/455957973.db2.gz CWSOEKTZYDVCEN-NHYWBVRUSA-N 2 1 344.286 3.381 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262014929 455986684 /nfs/dbraw/zinc/98/66/84/455986684.db2.gz MPLMQPIBIKOTHQ-LJQANCHMSA-N 2 1 344.890 3.328 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262014929 455986686 /nfs/dbraw/zinc/98/66/86/455986686.db2.gz MPLMQPIBIKOTHQ-LJQANCHMSA-N 2 1 344.890 3.328 20 0 EGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000270629017 455999927 /nfs/dbraw/zinc/99/99/27/455999927.db2.gz GBELMKBGOISSLD-GOSISDBHSA-N 2 1 325.412 3.020 20 0 EGADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000270629017 455999933 /nfs/dbraw/zinc/99/99/33/455999933.db2.gz GBELMKBGOISSLD-GOSISDBHSA-N 2 1 325.412 3.020 20 0 EGADMP C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272576579 456000265 /nfs/dbraw/zinc/00/02/65/456000265.db2.gz VTOFJZDOAWJIBX-TYPHKJRUSA-N 2 1 346.515 3.072 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)CCC2)c1 ZINC000262173104 456007088 /nfs/dbraw/zinc/00/70/88/456007088.db2.gz VKWCLSDSYHEVSD-IHPCNDPISA-N 2 1 344.499 3.051 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)CCC2)c1 ZINC000262173109 456008187 /nfs/dbraw/zinc/00/81/87/456008187.db2.gz VKWCLSDSYHEVSD-YSIASYRMSA-N 2 1 344.499 3.051 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262304160 456022625 /nfs/dbraw/zinc/02/26/25/456022625.db2.gz RARVIZCHMQHGHH-UWVAXJGDSA-N 2 1 343.515 3.052 20 0 EGADMP OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000286358578 456031872 /nfs/dbraw/zinc/03/18/72/456031872.db2.gz ZBOBJEAHNQPOGO-AHJNKEMKSA-N 2 1 340.511 3.204 20 0 EGADMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000262473163 456038520 /nfs/dbraw/zinc/03/85/20/456038520.db2.gz JJSKGHGPMHBPEO-RISCZKNCSA-N 2 1 342.270 3.006 20 0 EGADMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000262473163 456038523 /nfs/dbraw/zinc/03/85/23/456038523.db2.gz JJSKGHGPMHBPEO-RISCZKNCSA-N 2 1 342.270 3.006 20 0 EGADMP C[NH+]1CCC([NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000272692688 456041231 /nfs/dbraw/zinc/04/12/31/456041231.db2.gz QVVXLZCSWPQDEA-MSOLQXFVSA-N 2 1 345.487 3.381 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000280884202 456072654 /nfs/dbraw/zinc/07/26/54/456072654.db2.gz DXYYLJAAIPBOAC-QGZVFWFLSA-N 2 1 349.544 3.337 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000280884202 456072657 /nfs/dbraw/zinc/07/26/57/456072657.db2.gz DXYYLJAAIPBOAC-QGZVFWFLSA-N 2 1 349.544 3.337 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000272848215 456089357 /nfs/dbraw/zinc/08/93/57/456089357.db2.gz ZNGOZPFWCRSPKI-HXUWFJFHSA-N 2 1 335.451 3.024 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000280996607 456104705 /nfs/dbraw/zinc/10/47/05/456104705.db2.gz NHYYLHOAFJZUCY-KEYYUXOJSA-N 2 1 344.421 3.489 20 0 EGADMP COc1cc[nH+]c(N2CCN(c3cc[nH+]c4ccsc43)CC2)c1 ZINC000301406317 456109273 /nfs/dbraw/zinc/10/92/73/456109273.db2.gz MACXBPRNGRVWIS-UHFFFAOYSA-N 2 1 326.425 3.027 20 0 EGADMP CC(C)OCC[NH+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000301424914 456112887 /nfs/dbraw/zinc/11/28/87/456112887.db2.gz GUTYYPUFTPAZDY-UHFFFAOYSA-N 2 1 333.863 3.435 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000263240578 456115128 /nfs/dbraw/zinc/11/51/28/456115128.db2.gz GBDXSICTTUVZCT-AQNXPRMDSA-N 2 1 343.515 3.064 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000271179046 456157011 /nfs/dbraw/zinc/15/70/11/456157011.db2.gz IUFFRRYBKXOGHA-IBGZPJMESA-N 2 1 334.504 3.266 20 0 EGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000271179046 456157016 /nfs/dbraw/zinc/15/70/16/456157016.db2.gz IUFFRRYBKXOGHA-IBGZPJMESA-N 2 1 334.504 3.266 20 0 EGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000301655024 456176032 /nfs/dbraw/zinc/17/60/32/456176032.db2.gz MEOXMAJKEMIGJM-QZWWFDLISA-N 2 1 339.524 3.237 20 0 EGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000301655024 456176039 /nfs/dbraw/zinc/17/60/39/456176039.db2.gz MEOXMAJKEMIGJM-QZWWFDLISA-N 2 1 339.524 3.237 20 0 EGADMP Cc1cc([C@@H](C)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)no1 ZINC000289951523 456192208 /nfs/dbraw/zinc/19/22/08/456192208.db2.gz WOARDEPRJSMNJK-IXDOHACOSA-N 2 1 343.471 3.443 20 0 EGADMP Cc1cc([C@@H](C)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)no1 ZINC000289951523 456192215 /nfs/dbraw/zinc/19/22/15/456192215.db2.gz WOARDEPRJSMNJK-IXDOHACOSA-N 2 1 343.471 3.443 20 0 EGADMP CCOc1cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc(Cl)c1O ZINC000297486230 456233125 /nfs/dbraw/zinc/23/31/25/456233125.db2.gz SSWIMKBJFXSNCB-SFHVURJKSA-N 2 1 338.879 3.362 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)c2ccc3c(c2)OCO3)s1 ZINC000352768433 456289448 /nfs/dbraw/zinc/28/94/48/456289448.db2.gz FQDBXLMSVMZCSS-UHFFFAOYSA-N 2 1 347.484 3.001 20 0 EGADMP CC(C)C(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340175015 456293514 /nfs/dbraw/zinc/29/35/14/456293514.db2.gz VCOCLOCBGVAKDA-VQTJNVASSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340175015 456293516 /nfs/dbraw/zinc/29/35/16/456293516.db2.gz VCOCLOCBGVAKDA-VQTJNVASSA-N 2 1 343.515 3.059 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3ccccc3)CCOCC2)s1 ZINC000352783072 456301398 /nfs/dbraw/zinc/30/13/98/456301398.db2.gz WYNDNDYKSKDUAA-UHFFFAOYSA-N 2 1 345.512 3.043 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000342913825 456310015 /nfs/dbraw/zinc/31/00/15/456310015.db2.gz LCCCTHGZVZHKIC-FQEVSTJZSA-N 2 1 339.483 3.057 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CN[C@@H]1CCn2ccnc21 ZINC000297853889 456309953 /nfs/dbraw/zinc/30/99/53/456309953.db2.gz SZYBOANZAQHRMR-LJQANCHMSA-N 2 1 336.439 3.343 20 0 EGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)s1 ZINC000352792070 456313201 /nfs/dbraw/zinc/31/32/01/456313201.db2.gz QYTMYMIGXOWOOB-CZUORRHYSA-N 2 1 325.522 3.136 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)N2CCCCCC2)C[C@@H]1c1ccccc1 ZINC000340215018 456320369 /nfs/dbraw/zinc/32/03/69/456320369.db2.gz NRNCOGNBZWBVKC-VQTJNVASSA-N 2 1 343.515 3.204 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CCC(=O)N2CCCCCC2)C[C@@H]1c1ccccc1 ZINC000340215018 456320373 /nfs/dbraw/zinc/32/03/73/456320373.db2.gz NRNCOGNBZWBVKC-VQTJNVASSA-N 2 1 343.515 3.204 20 0 EGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000290440833 456327573 /nfs/dbraw/zinc/32/75/73/456327573.db2.gz LVFKNWDYKGFRCI-AEFFLSMTSA-N 2 1 330.472 3.248 20 0 EGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000290440833 456327580 /nfs/dbraw/zinc/32/75/80/456327580.db2.gz LVFKNWDYKGFRCI-AEFFLSMTSA-N 2 1 330.472 3.248 20 0 EGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000290440833 456327586 /nfs/dbraw/zinc/32/75/86/456327586.db2.gz LVFKNWDYKGFRCI-AEFFLSMTSA-N 2 1 330.472 3.248 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000340244449 456338159 /nfs/dbraw/zinc/33/81/59/456338159.db2.gz AMJWOCWQYIZFDS-PMACEKPBSA-N 2 1 326.488 3.397 20 0 EGADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340244564 456338619 /nfs/dbraw/zinc/33/86/19/456338619.db2.gz KAOGFLVWWJROJG-WCIQWLHISA-N 2 1 343.515 3.059 20 0 EGADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340244564 456338624 /nfs/dbraw/zinc/33/86/24/456338624.db2.gz KAOGFLVWWJROJG-WCIQWLHISA-N 2 1 343.515 3.059 20 0 EGADMP C[N@H+]1CCCC[C@H]1CCN1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824811 456340494 /nfs/dbraw/zinc/34/04/94/456340494.db2.gz NGOBKBJSLYUARB-VXKWHMMOSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCCC[C@H]1CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352824811 456340499 /nfs/dbraw/zinc/34/04/99/456340499.db2.gz NGOBKBJSLYUARB-VXKWHMMOSA-N 2 1 341.543 3.459 20 0 EGADMP C[NH+]1CCCC[C@H]1CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352824811 456340504 /nfs/dbraw/zinc/34/05/04/456340504.db2.gz NGOBKBJSLYUARB-VXKWHMMOSA-N 2 1 341.543 3.459 20 0 EGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCOCC2CCOCC2)C[C@@H]1c1ccccc1 ZINC000340251404 456342348 /nfs/dbraw/zinc/34/23/48/456342348.db2.gz PMSCWMVSVVWSDK-NHCUHLMSSA-N 2 1 346.515 3.245 20 0 EGADMP C[N@H+]1CC[C@@H]([NH2+]CCCOCC2CCOCC2)C[C@@H]1c1ccccc1 ZINC000340251404 456342352 /nfs/dbraw/zinc/34/23/52/456342352.db2.gz PMSCWMVSVVWSDK-NHCUHLMSSA-N 2 1 346.515 3.245 20 0 EGADMP Clc1c[nH+]ccc1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000352848793 456360470 /nfs/dbraw/zinc/36/04/70/456360470.db2.gz LOOKZJAVRLXIAR-UHFFFAOYSA-N 2 1 331.847 3.244 20 0 EGADMP Cc1cc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000343055554 456376817 /nfs/dbraw/zinc/37/68/17/456376817.db2.gz ADXXYEXYILQFJE-ZWKOTPCHSA-N 2 1 345.874 3.414 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298229733 456398264 /nfs/dbraw/zinc/39/82/64/456398264.db2.gz BDJLJMWLEUMTNG-HDICACEKSA-N 3 1 330.520 3.008 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340378668 456425563 /nfs/dbraw/zinc/42/55/63/456425563.db2.gz FRWRTSMBAPMTDM-FCGDIQPGSA-N 2 1 330.472 3.143 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340378668 456425567 /nfs/dbraw/zinc/42/55/67/456425567.db2.gz FRWRTSMBAPMTDM-FCGDIQPGSA-N 2 1 330.472 3.143 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(c2ncnc(N)c2Cl)CC1 ZINC000302883710 456426175 /nfs/dbraw/zinc/42/61/75/456426175.db2.gz JSIOEXBGFRNMDS-ZDUSSCGKSA-N 2 1 337.899 3.193 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1(C)C ZINC000282152497 456426789 /nfs/dbraw/zinc/42/67/89/456426789.db2.gz CUUIXJDTFWPLEE-GOSISDBHSA-N 2 1 343.515 3.049 20 0 EGADMP Cc1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)o1 ZINC000340401085 456438802 /nfs/dbraw/zinc/43/88/02/456438802.db2.gz RGJZRQGAMFKVRC-FQEVSTJZSA-N 2 1 327.472 3.056 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1nccc2ccccc21 ZINC000290849443 456446667 /nfs/dbraw/zinc/44/66/67/456446667.db2.gz ZIVFCMKMOOGPRQ-CWFSZBLJSA-N 2 1 339.483 3.263 20 0 EGADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000343167867 456447825 /nfs/dbraw/zinc/44/78/25/456447825.db2.gz QIRHATORUHZCGT-UXHICEINSA-N 2 1 341.499 3.029 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)Nc1ccccc1 ZINC000298617958 456502694 /nfs/dbraw/zinc/50/26/94/456502694.db2.gz UNPKHCYFTDHALP-UHFFFAOYSA-N 2 1 328.460 3.186 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)Nc1ccccc1 ZINC000298617958 456502700 /nfs/dbraw/zinc/50/27/00/456502700.db2.gz UNPKHCYFTDHALP-UHFFFAOYSA-N 2 1 328.460 3.186 20 0 EGADMP Oc1cc(F)cc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000282433449 456512054 /nfs/dbraw/zinc/51/20/54/456512054.db2.gz FKRDKXBVHHCHSU-OAHLLOKOSA-N 2 1 329.419 3.444 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CC1(C)C ZINC000282498955 456532975 /nfs/dbraw/zinc/53/29/75/456532975.db2.gz YAELPRAJJNNSMI-RBUKOAKNSA-N 2 1 333.495 3.077 20 0 EGADMP CCCC[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353201692 456555357 /nfs/dbraw/zinc/55/53/57/456555357.db2.gz HRYLXGXCKHACIS-PZJWPPBQSA-N 2 1 343.515 3.019 20 0 EGADMP COc1cc2[nH+]ccc(N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2cc1OC ZINC000298981900 456579750 /nfs/dbraw/zinc/57/97/50/456579750.db2.gz RBIKJNPNZDEJQZ-YIONKMFJSA-N 2 1 341.455 3.313 20 0 EGADMP Fc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000311716883 456590795 /nfs/dbraw/zinc/59/07/95/456590795.db2.gz OTMVFXXFQNDONT-TXEJJXNPSA-N 2 1 327.241 3.020 20 0 EGADMP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322847067 456651086 /nfs/dbraw/zinc/65/10/86/456651086.db2.gz NIQMCPLQXQZNCR-XYTVBORESA-N 2 1 339.524 3.285 20 0 EGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000324677030 456672595 /nfs/dbraw/zinc/67/25/95/456672595.db2.gz PVZWCPWQLYTEJN-IBGZPJMESA-N 2 1 331.504 3.045 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000338163883 456677874 /nfs/dbraw/zinc/67/78/74/456677874.db2.gz VWAZZDFHSCFLKQ-QZTJIDSGSA-N 2 1 345.531 3.379 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000299505852 456713666 /nfs/dbraw/zinc/71/36/66/456713666.db2.gz BVUJCNUOXBPVLQ-UHFFFAOYSA-N 2 1 334.851 3.196 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000299505852 456713671 /nfs/dbraw/zinc/71/36/71/456713671.db2.gz BVUJCNUOXBPVLQ-UHFFFAOYSA-N 2 1 334.851 3.196 20 0 EGADMP C[N@H+](Cc1ccccc1NC(=O)[C@H]1CCC[NH+]1C)C1CCCCC1 ZINC000299514732 456715807 /nfs/dbraw/zinc/71/58/07/456715807.db2.gz OUZQGRMDVUDWBR-LJQANCHMSA-N 2 1 329.488 3.484 20 0 EGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CCC[NH+]1C)C1CCCCC1 ZINC000299514732 456715813 /nfs/dbraw/zinc/71/58/13/456715813.db2.gz OUZQGRMDVUDWBR-LJQANCHMSA-N 2 1 329.488 3.484 20 0 EGADMP C[NH+](Cc1ccccc1NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000299514732 456715822 /nfs/dbraw/zinc/71/58/22/456715822.db2.gz OUZQGRMDVUDWBR-LJQANCHMSA-N 2 1 329.488 3.484 20 0 EGADMP C[NH+](Cc1ccccc1NC(=O)[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000299514732 456715830 /nfs/dbraw/zinc/71/58/30/456715830.db2.gz OUZQGRMDVUDWBR-LJQANCHMSA-N 2 1 329.488 3.484 20 0 EGADMP CC(C)Cc1cccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000353516737 456729856 /nfs/dbraw/zinc/72/98/56/456729856.db2.gz JMCDGQGZGBQNTG-PXNSSMCTSA-N 2 1 345.531 3.123 20 0 EGADMP C[NH+](C)CCOC1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000353520998 456730982 /nfs/dbraw/zinc/73/09/82/456730982.db2.gz QRGXEQZHIFSSSH-UHFFFAOYSA-N 2 1 348.384 3.387 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000343632402 456759858 /nfs/dbraw/zinc/75/98/58/456759858.db2.gz AHFYSSVRTFPANH-FGTMMUONSA-N 2 1 343.515 3.201 20 0 EGADMP CN(CCC[N@@H+](C)Cc1ccccc1C(F)(F)F)CC[NH+](C)C ZINC000344029950 456789968 /nfs/dbraw/zinc/78/99/68/456789968.db2.gz BEHOZLRYQWSSRX-UHFFFAOYSA-N 2 1 331.426 3.021 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000353639681 456823093 /nfs/dbraw/zinc/82/30/93/456823093.db2.gz DQIKOIXDJXUKGU-CYBMUJFWSA-N 2 1 330.394 3.467 20 0 EGADMP COCCCn1nccc1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000338446140 456826211 /nfs/dbraw/zinc/82/62/11/456826211.db2.gz SBXQQZIATLIUFU-UHFFFAOYSA-N 2 1 336.524 3.054 20 0 EGADMP FC(F)C(F)(F)COCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000277537264 456855917 /nfs/dbraw/zinc/85/59/17/456855917.db2.gz VXZBDVYTHYEGAA-UHFFFAOYSA-N 2 1 348.384 3.158 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(C)nc2sc(C)nn12 ZINC000344806928 456862135 /nfs/dbraw/zinc/86/21/35/456862135.db2.gz GIAPYQDXYKCACS-HOTGVXAUSA-N 2 1 349.548 3.398 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC[C@H]2CCC[NH2+]2)cc1 ZINC000292196522 456881359 /nfs/dbraw/zinc/88/13/59/456881359.db2.gz XWVFTLQZQRTIQA-YLJYHZDGSA-N 2 1 343.515 3.209 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC[C@@H]2CCC[NH2+]2)cc1 ZINC000292196517 456881599 /nfs/dbraw/zinc/88/15/99/456881599.db2.gz XWVFTLQZQRTIQA-PXNSSMCTSA-N 2 1 343.515 3.209 20 0 EGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@@H](C)C(C)C)CC2)cc1 ZINC000338973441 456883798 /nfs/dbraw/zinc/88/37/98/456883798.db2.gz KHWBRNIAFMXCEX-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2cccc(C)n2)CC1 ZINC000353749386 456887382 /nfs/dbraw/zinc/88/73/82/456887382.db2.gz SFURZLBZFDQCCB-UHFFFAOYSA-N 2 1 338.499 3.164 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2cccc(C)n2)CC1 ZINC000353749386 456887387 /nfs/dbraw/zinc/88/73/87/456887387.db2.gz SFURZLBZFDQCCB-UHFFFAOYSA-N 2 1 338.499 3.164 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)Cc2cn(-c3ccccc3)nc2C)C[C@@H]1C ZINC000353765976 456896612 /nfs/dbraw/zinc/89/66/12/456896612.db2.gz FRLVNKRXXOPFPA-JXFKEZNVSA-N 2 1 326.488 3.485 20 0 EGADMP FC(F)(F)COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339066358 456924519 /nfs/dbraw/zinc/92/45/19/456924519.db2.gz AHWLEFBLCTYBLK-GJZGRUSLSA-N 2 1 328.378 3.344 20 0 EGADMP FC(F)(F)COc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339069125 456926007 /nfs/dbraw/zinc/92/60/07/456926007.db2.gz RCNYNWQJBPCMOO-LSDHHAIUSA-N 2 1 328.378 3.344 20 0 EGADMP FC(F)(F)COc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339069125 456926011 /nfs/dbraw/zinc/92/60/11/456926011.db2.gz RCNYNWQJBPCMOO-LSDHHAIUSA-N 2 1 328.378 3.344 20 0 EGADMP CCCOc1cccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000349276889 456929359 /nfs/dbraw/zinc/92/93/59/456929359.db2.gz KOGCHKNNGDQENT-GOSISDBHSA-N 2 1 345.531 3.076 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2[nH+]cnc3[nH]ccc32)cc1 ZINC000339132543 456956127 /nfs/dbraw/zinc/95/61/27/456956127.db2.gz QMRLVJUEHDBIFJ-OAHLLOKOSA-N 2 1 335.455 3.366 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2[nH+]cnc3[nH]ccc32)cc1 ZINC000339132543 456956129 /nfs/dbraw/zinc/95/61/29/456956129.db2.gz QMRLVJUEHDBIFJ-OAHLLOKOSA-N 2 1 335.455 3.366 20 0 EGADMP C[C@H]1CCC[N@H+](Cc2ccccc2CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000339137521 456959320 /nfs/dbraw/zinc/95/93/20/456959320.db2.gz UDALRHRMTBZBRM-HNNXBMFYSA-N 2 1 335.455 3.224 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000339137521 456959323 /nfs/dbraw/zinc/95/93/23/456959323.db2.gz UDALRHRMTBZBRM-HNNXBMFYSA-N 2 1 335.455 3.224 20 0 EGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cn(C)nc1-c1cccs1 ZINC000349385755 456959859 /nfs/dbraw/zinc/95/98/59/456959859.db2.gz RHQKSRQAOYJKIG-UHFFFAOYSA-N 2 1 332.517 3.456 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cn(C)nc1-c1cccs1 ZINC000349385755 456959863 /nfs/dbraw/zinc/95/98/63/456959863.db2.gz RHQKSRQAOYJKIG-UHFFFAOYSA-N 2 1 332.517 3.456 20 0 EGADMP CC[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](CC)CC ZINC000353906973 456960992 /nfs/dbraw/zinc/96/09/92/456960992.db2.gz PYDPTDDQDUSHLR-QUCCMNQESA-N 2 1 345.531 3.230 20 0 EGADMP CCC(CC)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000349412323 456964578 /nfs/dbraw/zinc/96/45/78/456964578.db2.gz BSLRKQMZXBZXAY-IAGOWNOFSA-N 2 1 326.525 3.013 20 0 EGADMP CC1CC[NH+](CCC[NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000353934190 456971960 /nfs/dbraw/zinc/97/19/60/456971960.db2.gz RXDMVJWQMHDHBC-UHFFFAOYSA-N 2 1 330.451 3.223 20 0 EGADMP CC(C)[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000353965372 456981950 /nfs/dbraw/zinc/98/19/50/456981950.db2.gz GKKYMIIECWKRLD-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CC(C)[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000353965372 456981951 /nfs/dbraw/zinc/98/19/51/456981951.db2.gz GKKYMIIECWKRLD-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CC(C)[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000353965372 456981953 /nfs/dbraw/zinc/98/19/53/456981953.db2.gz GKKYMIIECWKRLD-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CC(C)[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000353965372 456981955 /nfs/dbraw/zinc/98/19/55/456981955.db2.gz GKKYMIIECWKRLD-LJQANCHMSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000353988850 456992364 /nfs/dbraw/zinc/99/23/64/456992364.db2.gz YHTOZWHEESQSDM-UXHICEINSA-N 2 1 341.503 3.182 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000353988850 456992366 /nfs/dbraw/zinc/99/23/66/456992366.db2.gz YHTOZWHEESQSDM-UXHICEINSA-N 2 1 341.503 3.182 20 0 EGADMP Cc1ccccc1C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358863492 457010512 /nfs/dbraw/zinc/01/05/12/457010512.db2.gz JKAMGNNPJGNUFL-OALUTQOASA-N 2 1 346.515 3.085 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnc(N(C)C)nc2)CC1 ZINC000362648956 457025089 /nfs/dbraw/zinc/02/50/89/457025089.db2.gz DLJSTBASAMFSIU-QGZVFWFLSA-N 2 1 345.535 3.019 20 0 EGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000354088388 457054172 /nfs/dbraw/zinc/05/41/72/457054172.db2.gz OXBOEYFBCYEXND-INIZCTEOSA-N 2 1 342.462 3.380 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000354088388 457054174 /nfs/dbraw/zinc/05/41/74/457054174.db2.gz OXBOEYFBCYEXND-INIZCTEOSA-N 2 1 342.462 3.380 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000354088388 457054175 /nfs/dbraw/zinc/05/41/75/457054175.db2.gz OXBOEYFBCYEXND-INIZCTEOSA-N 2 1 342.462 3.380 20 0 EGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000354088388 457054178 /nfs/dbraw/zinc/05/41/78/457054178.db2.gz OXBOEYFBCYEXND-INIZCTEOSA-N 2 1 342.462 3.380 20 0 EGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000354088389 457054473 /nfs/dbraw/zinc/05/44/73/457054473.db2.gz OXBOEYFBCYEXND-MRXNPFEDSA-N 2 1 342.462 3.380 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000354088389 457054477 /nfs/dbraw/zinc/05/44/77/457054477.db2.gz OXBOEYFBCYEXND-MRXNPFEDSA-N 2 1 342.462 3.380 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000354088389 457054484 /nfs/dbraw/zinc/05/44/84/457054484.db2.gz OXBOEYFBCYEXND-MRXNPFEDSA-N 2 1 342.462 3.380 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000354088389 457054491 /nfs/dbraw/zinc/05/44/91/457054491.db2.gz OXBOEYFBCYEXND-MRXNPFEDSA-N 2 1 342.462 3.380 20 0 EGADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000359206365 457063538 /nfs/dbraw/zinc/06/35/38/457063538.db2.gz HOPCPLJVNACOPX-DLBZAZTESA-N 2 1 343.298 3.273 20 0 EGADMP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359288807 457071738 /nfs/dbraw/zinc/07/17/38/457071738.db2.gz NHSBWEGOSYJICP-SCLBCKFNSA-N 2 1 329.444 3.304 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000356603742 457079341 /nfs/dbraw/zinc/07/93/41/457079341.db2.gz SGIXEHUUWGRDEM-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000356603742 457079347 /nfs/dbraw/zinc/07/93/47/457079347.db2.gz SGIXEHUUWGRDEM-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000356603742 457079352 /nfs/dbraw/zinc/07/93/52/457079352.db2.gz SGIXEHUUWGRDEM-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP COc1ccccc1-c1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cs1 ZINC000342080689 457097685 /nfs/dbraw/zinc/09/76/85/457097685.db2.gz GXDMGHATGXYSBP-RRQGHBQHSA-N 2 1 343.496 3.378 20 0 EGADMP COc1ccccc1-c1nc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cs1 ZINC000342080689 457097689 /nfs/dbraw/zinc/09/76/89/457097689.db2.gz GXDMGHATGXYSBP-RRQGHBQHSA-N 2 1 343.496 3.378 20 0 EGADMP c1cn2c([nH+]1)C[C@@H](c1nc(-c3ccc(C[NH+]4CCCC4)cc3)no1)CC2 ZINC000349921144 457109626 /nfs/dbraw/zinc/10/96/26/457109626.db2.gz JAMYSWMGEHREQZ-KRWDZBQOSA-N 2 1 349.438 3.259 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000346692886 457114875 /nfs/dbraw/zinc/11/48/75/457114875.db2.gz JOEUTBUBWABJPZ-HNAYVOBHSA-N 2 1 326.488 3.026 20 0 EGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)C1 ZINC000339440565 457121015 /nfs/dbraw/zinc/12/10/15/457121015.db2.gz YSNMVWFEEHSROT-LEWJYISDSA-N 2 1 344.499 3.162 20 0 EGADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)C1 ZINC000339440565 457121016 /nfs/dbraw/zinc/12/10/16/457121016.db2.gz YSNMVWFEEHSROT-LEWJYISDSA-N 2 1 344.499 3.162 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)C1 ZINC000339440565 457121019 /nfs/dbraw/zinc/12/10/19/457121019.db2.gz YSNMVWFEEHSROT-LEWJYISDSA-N 2 1 344.499 3.162 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)C1 ZINC000339440565 457121025 /nfs/dbraw/zinc/12/10/25/457121025.db2.gz YSNMVWFEEHSROT-LEWJYISDSA-N 2 1 344.499 3.162 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342160038 457140818 /nfs/dbraw/zinc/14/08/18/457140818.db2.gz LBTBRZPCTZVZRT-SDADXPQNSA-N 2 1 335.879 3.035 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342160038 457140825 /nfs/dbraw/zinc/14/08/25/457140825.db2.gz LBTBRZPCTZVZRT-SDADXPQNSA-N 2 1 335.879 3.035 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC[N@@H+]1C ZINC000350050941 457155888 /nfs/dbraw/zinc/15/58/88/457155888.db2.gz SSAHEWQMSXVXIQ-AAEUAGOBSA-N 2 1 334.357 3.339 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC[N@H+]1C ZINC000350050941 457155894 /nfs/dbraw/zinc/15/58/94/457155894.db2.gz SSAHEWQMSXVXIQ-AAEUAGOBSA-N 2 1 334.357 3.339 20 0 EGADMP CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000359949538 457167271 /nfs/dbraw/zinc/16/72/71/457167271.db2.gz JZGOHTDCQZOGQJ-YLJYHZDGSA-N 2 1 345.531 3.379 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000356894403 457204379 /nfs/dbraw/zinc/20/43/79/457204379.db2.gz NOQXPUIUIQMQIO-QFBILLFUSA-N 2 1 334.467 3.455 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000347065432 457212396 /nfs/dbraw/zinc/21/23/96/457212396.db2.gz LDCGVBNYOJMPSG-GOSISDBHSA-N 2 1 325.456 3.092 20 0 EGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000347065432 457212401 /nfs/dbraw/zinc/21/24/01/457212401.db2.gz LDCGVBNYOJMPSG-GOSISDBHSA-N 2 1 325.456 3.092 20 0 EGADMP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000354477124 457248000 /nfs/dbraw/zinc/24/80/00/457248000.db2.gz JQFWABUNLSWHNB-PKOBYXMFSA-N 2 1 331.504 3.011 20 0 EGADMP CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000354477124 457248005 /nfs/dbraw/zinc/24/80/05/457248005.db2.gz JQFWABUNLSWHNB-PKOBYXMFSA-N 2 1 331.504 3.011 20 0 EGADMP CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000354477124 457248013 /nfs/dbraw/zinc/24/80/13/457248013.db2.gz JQFWABUNLSWHNB-PKOBYXMFSA-N 2 1 331.504 3.011 20 0 EGADMP CCN(C(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C1CCCCC1 ZINC000331905617 457271148 /nfs/dbraw/zinc/27/11/48/457271148.db2.gz HLXDFTBSPJIKOD-OAHLLOKOSA-N 2 1 332.492 3.159 20 0 EGADMP CCN(C(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C1CCCCC1 ZINC000331905613 457271852 /nfs/dbraw/zinc/27/18/52/457271852.db2.gz HLXDFTBSPJIKOD-HNNXBMFYSA-N 2 1 332.492 3.159 20 0 EGADMP CC(C)N1CCC[C@H]([NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1=O ZINC000357008157 457273805 /nfs/dbraw/zinc/27/38/05/457273805.db2.gz DXCNTEDSBPWXGX-QUCCMNQESA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000339802933 457278472 /nfs/dbraw/zinc/27/84/72/457278472.db2.gz IGMZDKPEGFGXPQ-QGZVFWFLSA-N 2 1 331.504 3.133 20 0 EGADMP CCC[NH+]1CCC(C[NH2+][C@H](c2nccn2C)c2cccc(F)c2)CC1 ZINC000357022410 457283000 /nfs/dbraw/zinc/28/30/00/457283000.db2.gz GZNFZNHRNGYQIG-IBGZPJMESA-N 2 1 344.478 3.360 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347205577 457287744 /nfs/dbraw/zinc/28/77/44/457287744.db2.gz LUGHMOQFZVOYDR-HNAYVOBHSA-N 2 1 326.488 3.107 20 0 EGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C[C@@H]12 ZINC000351472523 457297942 /nfs/dbraw/zinc/29/79/42/457297942.db2.gz AZSJTNLQJYMURE-MISYRCLQSA-N 2 1 335.451 3.108 20 0 EGADMP CC(C)[C@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+]1CCCCC1 ZINC000354658325 457302405 /nfs/dbraw/zinc/30/24/05/457302405.db2.gz QRFHXNRTXNENFN-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@H]2CCCN(C(C)C)C2=O)CC1)CC1CC1 ZINC000357086457 457313994 /nfs/dbraw/zinc/31/39/94/457313994.db2.gz OQFHZSGQSYUPGU-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CC3 ZINC000360613792 457321829 /nfs/dbraw/zinc/32/18/29/457321829.db2.gz NBRIFCFGDXGTPV-ZNMIVQPWSA-N 2 1 327.472 3.106 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CC3 ZINC000360613792 457321832 /nfs/dbraw/zinc/32/18/32/457321832.db2.gz NBRIFCFGDXGTPV-ZNMIVQPWSA-N 2 1 327.472 3.106 20 0 EGADMP CC(C)[C@@H](CNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000357109158 457327232 /nfs/dbraw/zinc/32/72/32/457327232.db2.gz HLDVHDYCQCCIDC-ZSYWTGECSA-N 2 1 337.552 3.120 20 0 EGADMP CC[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1ccc(Cl)cc1 ZINC000352520153 457436125 /nfs/dbraw/zinc/43/61/25/457436125.db2.gz VTWGSAVSKQMQBP-SJORKVTESA-N 2 1 337.895 3.111 20 0 EGADMP CC[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccc(Cl)cc1 ZINC000352520153 457436131 /nfs/dbraw/zinc/43/61/31/457436131.db2.gz VTWGSAVSKQMQBP-SJORKVTESA-N 2 1 337.895 3.111 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CC(OC(C)(C)C)C3)c2)CCO1 ZINC000352567742 457472121 /nfs/dbraw/zinc/47/21/21/457472121.db2.gz OPALAJHPTCQWDJ-PBPGXSGUSA-N 2 1 346.515 3.343 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CC(OC(C)(C)C)C3)c2)CCO1 ZINC000352567742 457472126 /nfs/dbraw/zinc/47/21/26/457472126.db2.gz OPALAJHPTCQWDJ-PBPGXSGUSA-N 2 1 346.515 3.343 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000360967534 457473023 /nfs/dbraw/zinc/47/30/23/457473023.db2.gz AGJOMKNVFJGCGA-FQEVSTJZSA-N 2 1 328.504 3.328 20 0 EGADMP Cc1cc(Cl)ccc1C[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000352571627 457475893 /nfs/dbraw/zinc/47/58/93/457475893.db2.gz WYTAMCPFAPBOBJ-IBGZPJMESA-N 2 1 335.923 3.250 20 0 EGADMP Cc1cc(Cl)ccc1C[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000352571627 457475896 /nfs/dbraw/zinc/47/58/96/457475896.db2.gz WYTAMCPFAPBOBJ-IBGZPJMESA-N 2 1 335.923 3.250 20 0 EGADMP Cc1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000360988598 457492973 /nfs/dbraw/zinc/49/29/73/457492973.db2.gz ZNUWQPDTEHTOSS-UHFFFAOYSA-N 2 1 344.547 3.018 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCCC[NH+]1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000356165343 457500665 /nfs/dbraw/zinc/50/06/65/457500665.db2.gz HRYWAEHPWWOHEL-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[NH+](C)Cc1ccccc1 ZINC000356165343 457500671 /nfs/dbraw/zinc/50/06/71/457500671.db2.gz HRYWAEHPWWOHEL-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)[NH+](C)Cc1ccccc1 ZINC000356165343 457500678 /nfs/dbraw/zinc/50/06/78/457500678.db2.gz HRYWAEHPWWOHEL-PMACEKPBSA-N 2 1 343.515 3.030 20 0 EGADMP Cc1ccc2nc(CN3CC[N@H+](Cc4ccccc4)C[C@@H]3C)cn2c1 ZINC000342789684 457530565 /nfs/dbraw/zinc/53/05/65/457530565.db2.gz LSCRHDKBVVXDAO-SFHVURJKSA-N 2 1 334.467 3.349 20 0 EGADMP Cc1ccc2nc(CN3CCN(Cc4ccccc4)C[C@@H]3C)cn2c1 ZINC000342789684 457530571 /nfs/dbraw/zinc/53/05/71/457530571.db2.gz LSCRHDKBVVXDAO-SFHVURJKSA-N 2 1 334.467 3.349 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1)C1CC1 ZINC000357446299 457532838 /nfs/dbraw/zinc/53/28/38/457532838.db2.gz SKSMODXRDAVTAY-LJQANCHMSA-N 2 1 345.531 3.377 20 0 EGADMP Cc1cccnc1CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000404970072 457550306 /nfs/dbraw/zinc/55/03/06/457550306.db2.gz KROHYBDPQUMFKI-JAXLGGSGSA-N 2 1 335.495 3.433 20 0 EGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000370306221 457615340 /nfs/dbraw/zinc/61/53/40/457615340.db2.gz UCXLSFRIRMGLFK-HKBOAZHASA-N 2 1 330.516 3.346 20 0 EGADMP Cc1ccc(OCCC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000374424355 457623432 /nfs/dbraw/zinc/62/34/32/457623432.db2.gz ZNCUSXJDGRIZEO-CEWLAPEOSA-N 2 1 346.515 3.256 20 0 EGADMP CC(C)N(C)c1ccccc1C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425895935 457649463 /nfs/dbraw/zinc/64/94/63/457649463.db2.gz LZMCHHPKRIAANR-UHFFFAOYSA-N 2 1 342.487 3.276 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1C ZINC000370708134 457704043 /nfs/dbraw/zinc/70/40/43/457704043.db2.gz PBZSVXVHMXBTQB-SFHVURJKSA-N 2 1 343.515 3.438 20 0 EGADMP FC(F)(F)c1ccc(OCCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000357844598 457709518 /nfs/dbraw/zinc/70/95/18/457709518.db2.gz GDMYVCQRIJSPSF-GJZGRUSLSA-N 2 1 343.393 3.086 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000358096316 457782688 /nfs/dbraw/zinc/78/26/88/457782688.db2.gz LUSDCAJRMPXRPY-ZIAGYGMSSA-N 2 1 344.459 3.145 20 0 EGADMP CC[N@H+](Cc1cnn(C)c1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411214385 457832948 /nfs/dbraw/zinc/83/29/48/457832948.db2.gz OYOMGJODHOABBS-UHFFFAOYSA-N 2 1 326.488 3.428 20 0 EGADMP CC[N@@H+](Cc1cnn(C)c1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411214385 457832951 /nfs/dbraw/zinc/83/29/51/457832951.db2.gz OYOMGJODHOABBS-UHFFFAOYSA-N 2 1 326.488 3.428 20 0 EGADMP CC[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000358231518 457874592 /nfs/dbraw/zinc/87/45/92/457874592.db2.gz TWDBREZTGCEGKY-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000358231518 457874601 /nfs/dbraw/zinc/87/46/01/457874601.db2.gz TWDBREZTGCEGKY-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000358231518 457874607 /nfs/dbraw/zinc/87/46/07/457874607.db2.gz TWDBREZTGCEGKY-HMXCVIKNSA-N 2 1 329.532 3.361 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2C)C[C@@H]1C ZINC000361836534 457897644 /nfs/dbraw/zinc/89/76/44/457897644.db2.gz GGLKSIZREJXTRE-HKUYNNGSSA-N 2 1 326.488 3.485 20 0 EGADMP CCN1CC[C@H]([N@H+](C)Cc2ccc(-n3ccnc3)cc2C)C[C@@H]1C ZINC000361836534 457897652 /nfs/dbraw/zinc/89/76/52/457897652.db2.gz GGLKSIZREJXTRE-HKUYNNGSSA-N 3 1 326.488 3.485 20 0 EGADMP CCN1CC[C@H]([N@@H+](C)Cc2ccc(-n3ccnc3)cc2C)C[C@@H]1C ZINC000361836534 457897656 /nfs/dbraw/zinc/89/76/56/457897656.db2.gz GGLKSIZREJXTRE-HKUYNNGSSA-N 3 1 326.488 3.485 20 0 EGADMP CC(C)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000367030343 457920968 /nfs/dbraw/zinc/92/09/68/457920968.db2.gz QDICERZQCGGINB-NQIIRXRSSA-N 2 1 329.532 3.268 20 0 EGADMP Cc1nc2ccccn2c1CN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434013380 457930909 /nfs/dbraw/zinc/93/09/09/457930909.db2.gz TXOPHBPYHAXNAT-RXVVDRJESA-N 2 1 349.482 3.163 20 0 EGADMP Cc1nc2ccccn2c1C[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000434013380 457930919 /nfs/dbraw/zinc/93/09/19/457930919.db2.gz TXOPHBPYHAXNAT-RXVVDRJESA-N 2 1 349.482 3.163 20 0 EGADMP Cc1nc2ccccn2c1C[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000434013380 457930927 /nfs/dbraw/zinc/93/09/27/457930927.db2.gz TXOPHBPYHAXNAT-RXVVDRJESA-N 2 1 349.482 3.163 20 0 EGADMP CCN1CCC[C@@H](C[N@@H+](C)Cc2ccc(C)cn2)[C@@H]1c1cnn(C)c1 ZINC000434015343 457931640 /nfs/dbraw/zinc/93/16/40/457931640.db2.gz ZKIRXVIJKWCIFD-FXAWDEMLSA-N 2 1 341.503 3.029 20 0 EGADMP CC[N@@H+]1CCC[C@@H](CN(C)Cc2ccc(C)cn2)[C@@H]1c1cnn(C)c1 ZINC000434015343 457931644 /nfs/dbraw/zinc/93/16/44/457931644.db2.gz ZKIRXVIJKWCIFD-FXAWDEMLSA-N 2 1 341.503 3.029 20 0 EGADMP CC[N@H+]1CCC[C@@H](CN(C)Cc2ccc(C)cn2)[C@@H]1c1cnn(C)c1 ZINC000434015343 457931649 /nfs/dbraw/zinc/93/16/49/457931649.db2.gz ZKIRXVIJKWCIFD-FXAWDEMLSA-N 2 1 341.503 3.029 20 0 EGADMP O[C@@]1(C[NH2+][C@@H]2CCc3cc(F)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000361893048 457937079 /nfs/dbraw/zinc/93/70/79/457937079.db2.gz WZVUFIMPFNLFQB-NHCUHLMSSA-N 2 1 340.442 3.040 20 0 EGADMP O[C@@]1(C[NH2+][C@@H]2CCc3cc(F)ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000361893048 457937083 /nfs/dbraw/zinc/93/70/83/457937083.db2.gz WZVUFIMPFNLFQB-NHCUHLMSSA-N 2 1 340.442 3.040 20 0 EGADMP CC[N@H+]1C[C@H](NCc2cccc(COCC(F)(F)F)c2)[C@@H](C)C1 ZINC000358332362 457938431 /nfs/dbraw/zinc/93/84/31/457938431.db2.gz VZSTWZWPJGUYEG-BBRMVZONSA-N 2 1 330.394 3.195 20 0 EGADMP OCC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCSC1 ZINC000411664893 457943358 /nfs/dbraw/zinc/94/33/58/457943358.db2.gz JMLVBZULLJIUBJ-FQEVSTJZSA-N 2 1 348.556 3.362 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OC)[C@@H](C)C1 ZINC000361983314 457991597 /nfs/dbraw/zinc/99/15/97/457991597.db2.gz UFZGFCJUSPXJPX-HKUYNNGSSA-N 2 1 334.504 3.230 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OC)[C@@H](C)C1 ZINC000361983314 457991602 /nfs/dbraw/zinc/99/16/02/457991602.db2.gz UFZGFCJUSPXJPX-HKUYNNGSSA-N 2 1 334.504 3.230 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000362025924 458012193 /nfs/dbraw/zinc/01/21/93/458012193.db2.gz LNSDLAACHJCLPD-QAPCUYQASA-N 2 1 332.492 3.085 20 0 EGADMP Cc1ccc(-c2noc([C@@H](C)[N@H+]3CCC4(C3)CC[NH2+]CC4)n2)cc1F ZINC000358505593 458044853 /nfs/dbraw/zinc/04/48/53/458044853.db2.gz KITBUJRQRNKSQA-CQSZACIVSA-N 2 1 344.434 3.321 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000358517180 458051573 /nfs/dbraw/zinc/05/15/73/458051573.db2.gz PLQDBPXJAPOAOU-OAHLLOKOSA-N 2 1 349.906 3.359 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000358517180 458051578 /nfs/dbraw/zinc/05/15/78/458051578.db2.gz PLQDBPXJAPOAOU-OAHLLOKOSA-N 2 1 349.906 3.359 20 0 EGADMP CS[C@H]1CN(c2cc[nH+]c3cc(F)ccc32)C[C@H]1[NH+]1CCCC1 ZINC000445597003 458067210 /nfs/dbraw/zinc/06/72/10/458067210.db2.gz QEQAYWYUUCHAME-MSOLQXFVSA-N 2 1 331.460 3.390 20 0 EGADMP O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000428047783 458072943 /nfs/dbraw/zinc/07/29/43/458072943.db2.gz ZUBHUUFPLWDLBB-UYAOXDASSA-N 2 1 349.478 3.366 20 0 EGADMP O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000428047783 458072947 /nfs/dbraw/zinc/07/29/47/458072947.db2.gz ZUBHUUFPLWDLBB-UYAOXDASSA-N 2 1 349.478 3.366 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCc3c[nH]nc3C2)CC1 ZINC000375812907 458077063 /nfs/dbraw/zinc/07/70/63/458077063.db2.gz YNJSXHWZXZOXMO-GPJFCIFZSA-N 2 1 338.499 3.300 20 0 EGADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCc3cn[nH]c3C2)CC1 ZINC000375812907 458077067 /nfs/dbraw/zinc/07/70/67/458077067.db2.gz YNJSXHWZXZOXMO-GPJFCIFZSA-N 2 1 338.499 3.300 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCc3cn[nH]c3C2)CC1 ZINC000375812907 458077071 /nfs/dbraw/zinc/07/70/71/458077071.db2.gz YNJSXHWZXZOXMO-GPJFCIFZSA-N 2 1 338.499 3.300 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000362329018 458108077 /nfs/dbraw/zinc/10/80/77/458108077.db2.gz BNBSSJBBBTZPFY-UHFFFAOYSA-N 2 1 346.519 3.191 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000362329018 458108085 /nfs/dbraw/zinc/10/80/85/458108085.db2.gz BNBSSJBBBTZPFY-UHFFFAOYSA-N 2 1 346.519 3.191 20 0 EGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000435372470 458121802 /nfs/dbraw/zinc/12/18/02/458121802.db2.gz JPXDNKXCIILIID-HOTGVXAUSA-N 2 1 326.488 3.339 20 0 EGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435373767 458124351 /nfs/dbraw/zinc/12/43/51/458124351.db2.gz FTYHTXMTJQFEFQ-JSGCOSHPSA-N 2 1 338.377 3.060 20 0 EGADMP COc1cc(C[N@H+](C)C2CC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000435377296 458126505 /nfs/dbraw/zinc/12/65/05/458126505.db2.gz ZYQFMBVHOHHDMQ-UHFFFAOYSA-N 2 1 340.467 3.458 20 0 EGADMP COc1cc(C[N@@H+](C)C2CC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000435377296 458126512 /nfs/dbraw/zinc/12/65/12/458126512.db2.gz ZYQFMBVHOHHDMQ-UHFFFAOYSA-N 2 1 340.467 3.458 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000435377140 458126614 /nfs/dbraw/zinc/12/66/14/458126614.db2.gz YJTFVKZOHZZINK-FUHWJXTLSA-N 2 1 347.466 3.103 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1OCc1cccs1 ZINC000435380969 458128004 /nfs/dbraw/zinc/12/80/04/458128004.db2.gz QWMWPWLWZRDXCI-HNNXBMFYSA-N 2 1 332.469 3.116 20 0 EGADMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1OCc1cccs1 ZINC000435380969 458128010 /nfs/dbraw/zinc/12/80/10/458128010.db2.gz QWMWPWLWZRDXCI-HNNXBMFYSA-N 2 1 332.469 3.116 20 0 EGADMP CC(C)O[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000428366808 458128104 /nfs/dbraw/zinc/12/81/04/458128104.db2.gz ZSJWIZZIVPSMRL-DOIPELPJSA-N 2 1 346.515 3.336 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000435382236 458130209 /nfs/dbraw/zinc/13/02/09/458130209.db2.gz CKBZBPPNHGKWOD-HNNXBMFYSA-N 2 1 332.879 3.184 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000435382236 458130213 /nfs/dbraw/zinc/13/02/13/458130213.db2.gz CKBZBPPNHGKWOD-HNNXBMFYSA-N 2 1 332.879 3.184 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccccc1OCc1cccnc1 ZINC000435383297 458131240 /nfs/dbraw/zinc/13/12/40/458131240.db2.gz GBBQPELXBNGNRI-LJQANCHMSA-N 2 1 327.472 3.466 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccccc1OCc1cccnc1 ZINC000435383297 458131247 /nfs/dbraw/zinc/13/12/47/458131247.db2.gz GBBQPELXBNGNRI-LJQANCHMSA-N 2 1 327.472 3.466 20 0 EGADMP Fc1cccc(OCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435623683 458174495 /nfs/dbraw/zinc/17/44/95/458174495.db2.gz CXXYBBYEVZMXJX-LJQANCHMSA-N 2 1 343.446 3.244 20 0 EGADMP Fc1cccc(OCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435623683 458174499 /nfs/dbraw/zinc/17/44/99/458174499.db2.gz CXXYBBYEVZMXJX-LJQANCHMSA-N 2 1 343.446 3.244 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC1)CC(C)C ZINC000358739975 458183637 /nfs/dbraw/zinc/18/36/37/458183637.db2.gz GNRLSFRRTYONHS-SFHVURJKSA-N 2 1 339.568 3.322 20 0 EGADMP C[NH+](C)CC1CC[NH+](Cc2coc(-c3c(F)cccc3F)n2)CC1 ZINC000372130780 458204200 /nfs/dbraw/zinc/20/42/00/458204200.db2.gz AUJUXJBDQUHXIV-UHFFFAOYSA-N 2 1 335.398 3.393 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000446968243 458251063 /nfs/dbraw/zinc/25/10/63/458251063.db2.gz YNDHOHNXEFMCSR-HLLBOEOZSA-N 2 1 349.544 3.287 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000446968243 458251065 /nfs/dbraw/zinc/25/10/65/458251065.db2.gz YNDHOHNXEFMCSR-HLLBOEOZSA-N 2 1 349.544 3.287 20 0 EGADMP C[C@@H](NCC[N@@H+]1CCCC(C)(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000447569235 458313823 /nfs/dbraw/zinc/31/38/23/458313823.db2.gz OHPJHHAIBWYMIQ-GOSISDBHSA-N 2 1 347.547 3.400 20 0 EGADMP C[C@@H](NCC[N@H+]1CCCC(C)(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000447569235 458313830 /nfs/dbraw/zinc/31/38/30/458313830.db2.gz OHPJHHAIBWYMIQ-GOSISDBHSA-N 2 1 347.547 3.400 20 0 EGADMP CCOc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc1OC ZINC000369723434 458327388 /nfs/dbraw/zinc/32/73/88/458327388.db2.gz WTODELYDRYUIIS-UHFFFAOYSA-N 2 1 332.488 3.402 20 0 EGADMP CC(C)[C@H](CNC1CC[NH+](C2CC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000459394434 458356690 /nfs/dbraw/zinc/35/66/90/458356690.db2.gz UAERVBLRCPOFRK-QFIPXVFZSA-N 2 1 341.543 3.286 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[C@H]1SC ZINC000459424096 458366640 /nfs/dbraw/zinc/36/66/40/458366640.db2.gz KUBGMYNKGXIMCN-XIKSMUEASA-N 2 1 348.556 3.396 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[C@H]1SC ZINC000459424096 458366646 /nfs/dbraw/zinc/36/66/46/458366646.db2.gz KUBGMYNKGXIMCN-XIKSMUEASA-N 2 1 348.556 3.396 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)[C@H]1Sc1ccccc1 ZINC000459475925 458385135 /nfs/dbraw/zinc/38/51/35/458385135.db2.gz ZHJQOFMLVAKEQW-GUDVDZBRSA-N 2 1 332.513 3.176 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCCC3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000430229734 458425822 /nfs/dbraw/zinc/42/58/22/458425822.db2.gz YPMZLHAIZHPCEV-GCJKJVERSA-N 2 1 341.543 3.023 20 0 EGADMP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423463845 458436787 /nfs/dbraw/zinc/43/67/87/458436787.db2.gz WDTIUCAQYYDYJN-CARMDJQYSA-N 2 1 339.302 3.039 20 0 EGADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000423505532 458445701 /nfs/dbraw/zinc/44/57/01/458445701.db2.gz LVPBIZYADOQQSI-XDWAVFMPSA-N 3 1 327.516 3.004 20 0 EGADMP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423510306 458447727 /nfs/dbraw/zinc/44/77/27/458447727.db2.gz JMZOVFJEBDXANG-MLGOLLRUSA-N 2 1 349.475 3.287 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000430557768 458460851 /nfs/dbraw/zinc/46/08/51/458460851.db2.gz XBQKGFLVZZEGKO-CHWSQXEVSA-N 2 1 332.366 3.023 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430574365 458463210 /nfs/dbraw/zinc/46/32/10/458463210.db2.gz SFTKJKLBPQVXDW-UXLLHSPISA-N 2 1 325.456 3.226 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430574365 458463215 /nfs/dbraw/zinc/46/32/15/458463215.db2.gz SFTKJKLBPQVXDW-UXLLHSPISA-N 2 1 325.456 3.226 20 0 EGADMP CC[NH2+]CC1CC[NH+]([C@@H](C)c2nc(Cc3ccc(F)cc3)no2)CC1 ZINC000430576315 458464960 /nfs/dbraw/zinc/46/49/60/458464960.db2.gz BENKWCGQGASFNH-AWEZNQCLSA-N 2 1 346.450 3.182 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000430592757 458467929 /nfs/dbraw/zinc/46/79/29/458467929.db2.gz CVQZFPXNRQDWPN-CAMMJAKZSA-N 2 1 331.504 3.092 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000430592757 458467933 /nfs/dbraw/zinc/46/79/33/458467933.db2.gz CVQZFPXNRQDWPN-CAMMJAKZSA-N 2 1 331.504 3.092 20 0 EGADMP C[C@@](C[NH3+])([NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl)C1CC1 ZINC000430598259 458469271 /nfs/dbraw/zinc/46/92/71/458469271.db2.gz SHGBCOAJAXNKIM-HNNXBMFYSA-N 2 1 330.259 3.039 20 0 EGADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000468396316 458514852 /nfs/dbraw/zinc/51/48/52/458514852.db2.gz VSPPYIWGSYFGGO-LPHOPBHVSA-N 2 1 335.923 3.106 20 0 EGADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000468396316 458514857 /nfs/dbraw/zinc/51/48/57/458514857.db2.gz VSPPYIWGSYFGGO-LPHOPBHVSA-N 2 1 335.923 3.106 20 0 EGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000462116583 458594148 /nfs/dbraw/zinc/59/41/48/458594148.db2.gz OSTQNDFBXHMQRU-YADHBBJMSA-N 2 1 338.495 3.234 20 0 EGADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000462116583 458594152 /nfs/dbraw/zinc/59/41/52/458594152.db2.gz OSTQNDFBXHMQRU-YADHBBJMSA-N 2 1 338.495 3.234 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCc3ccccc3OC1)C2 ZINC000493924314 458600892 /nfs/dbraw/zinc/60/08/92/458600892.db2.gz HMQJSXQETIKHJH-OAQYLSRUSA-N 2 1 336.479 3.418 20 0 EGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCc3ccccc3OC1)C2 ZINC000493924314 458600897 /nfs/dbraw/zinc/60/08/97/458600897.db2.gz HMQJSXQETIKHJH-OAQYLSRUSA-N 2 1 336.479 3.418 20 0 EGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431746269 458616263 /nfs/dbraw/zinc/61/62/63/458616263.db2.gz TXVODQNFSZOLPN-HLNWXESRSA-N 2 1 345.531 3.162 20 0 EGADMP C[C@H]1[C@@H](NC(=O)CC[NH+]2CCCC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000494060948 458622391 /nfs/dbraw/zinc/62/23/91/458622391.db2.gz SBVMMEXPLRTIJD-HBFSDRIKSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(O)ccc1Br)CC[NH2+]CC2 ZINC000424369955 458625849 /nfs/dbraw/zinc/62/58/49/458625849.db2.gz BWLNKICVBFVBDW-GFCCVEGCSA-N 2 1 339.277 3.119 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1cc(O)ccc1Br)CC[NH2+]CC2 ZINC000424369957 458626624 /nfs/dbraw/zinc/62/66/24/458626624.db2.gz BWLNKICVBFVBDW-LBPRGKRZSA-N 2 1 339.277 3.119 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456309069 458636926 /nfs/dbraw/zinc/63/69/26/458636926.db2.gz JIAKRQWJIFPYLP-KXBFYZLASA-N 2 1 329.488 3.439 20 0 EGADMP CCOc1cc2[nH+]ccc(N[C@H]3CC[N@@H+](C)[C@H](C)C3)c2cc1OCC ZINC000462868322 458663273 /nfs/dbraw/zinc/66/32/73/458663273.db2.gz AYLUVCZCAYGRTP-CABCVRRESA-N 2 1 343.471 3.349 20 0 EGADMP C[N@H+](CCC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000546722705 458665712 /nfs/dbraw/zinc/66/57/12/458665712.db2.gz NKLWDTKVGGXNCS-HXUWFJFHSA-N 2 1 343.515 3.156 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000546722705 458665720 /nfs/dbraw/zinc/66/57/20/458665720.db2.gz NKLWDTKVGGXNCS-HXUWFJFHSA-N 2 1 343.515 3.156 20 0 EGADMP C[NH+](CCC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000546722705 458665729 /nfs/dbraw/zinc/66/57/29/458665729.db2.gz NKLWDTKVGGXNCS-HXUWFJFHSA-N 2 1 343.515 3.156 20 0 EGADMP C[NH+](CCC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000546722705 458665734 /nfs/dbraw/zinc/66/57/34/458665734.db2.gz NKLWDTKVGGXNCS-HXUWFJFHSA-N 2 1 343.515 3.156 20 0 EGADMP C[N@H+](CCC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000546722704 458666687 /nfs/dbraw/zinc/66/66/87/458666687.db2.gz NKLWDTKVGGXNCS-FQEVSTJZSA-N 2 1 343.515 3.156 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000546722704 458666695 /nfs/dbraw/zinc/66/66/95/458666695.db2.gz NKLWDTKVGGXNCS-FQEVSTJZSA-N 2 1 343.515 3.156 20 0 EGADMP C[NH+](CCC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000546722704 458666698 /nfs/dbraw/zinc/66/66/98/458666698.db2.gz NKLWDTKVGGXNCS-FQEVSTJZSA-N 2 1 343.515 3.156 20 0 EGADMP C[NH+](CCC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000546722704 458666704 /nfs/dbraw/zinc/66/67/04/458666704.db2.gz NKLWDTKVGGXNCS-FQEVSTJZSA-N 2 1 343.515 3.156 20 0 EGADMP C[C@]1(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)COc2ccccc2O1 ZINC000530211670 458718620 /nfs/dbraw/zinc/71/86/20/458718620.db2.gz NWVBNEOSZYCESK-UEXGIBASSA-N 2 1 338.451 3.299 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530215221 458720215 /nfs/dbraw/zinc/72/02/15/458720215.db2.gz FMBHEFKEOOKBCC-MHJFOBGBSA-N 2 1 327.516 3.304 20 0 EGADMP C[N@H+](Cc1ccccc1)C1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530215221 458720223 /nfs/dbraw/zinc/72/02/23/458720223.db2.gz FMBHEFKEOOKBCC-MHJFOBGBSA-N 2 1 327.516 3.304 20 0 EGADMP C[N@@H+](Cc1ccccc1)C1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530215221 458720230 /nfs/dbraw/zinc/72/02/30/458720230.db2.gz FMBHEFKEOOKBCC-MHJFOBGBSA-N 2 1 327.516 3.304 20 0 EGADMP OC1(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCC(c2ccccc2)CC1 ZINC000530230833 458725652 /nfs/dbraw/zinc/72/56/52/458725652.db2.gz KAKVPCRLTMEQND-FQVISZRSSA-N 2 1 328.500 3.149 20 0 EGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CCCO1 ZINC000432369180 458726827 /nfs/dbraw/zinc/72/68/27/458726827.db2.gz UHTXJNAGYBJXNX-HLAWJBBLSA-N 2 1 330.516 3.488 20 0 EGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CCCO1 ZINC000432369180 458726830 /nfs/dbraw/zinc/72/68/30/458726830.db2.gz UHTXJNAGYBJXNX-HLAWJBBLSA-N 2 1 330.516 3.488 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547505553 458752402 /nfs/dbraw/zinc/75/24/02/458752402.db2.gz VZWJBEYCKBGRFG-YYWHXJBOSA-N 2 1 330.516 3.428 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000472073516 458766505 /nfs/dbraw/zinc/76/65/05/458766505.db2.gz KQFCUBMZZFFIFH-UHFFFAOYSA-N 2 1 342.531 3.292 20 0 EGADMP C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000547736520 458781667 /nfs/dbraw/zinc/78/16/67/458781667.db2.gz PINPNHZKMRDDGU-LAUBAEHRSA-N 2 1 345.531 3.449 20 0 EGADMP C[N@@H+](CCC(=O)NCCCCC[NH+]1CCCCC1)C1CCCCC1 ZINC000548061002 458830755 /nfs/dbraw/zinc/83/07/55/458830755.db2.gz DVFAAYITHAYFIN-UHFFFAOYSA-N 2 1 337.552 3.413 20 0 EGADMP CCC[NH+]1CCC([N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495313678 458832295 /nfs/dbraw/zinc/83/22/95/458832295.db2.gz XUNXNYOPPGQSIF-UHFFFAOYSA-N 2 1 327.513 3.096 20 0 EGADMP CC[NH+]1CCC([N@H+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495338836 458837718 /nfs/dbraw/zinc/83/77/18/458837718.db2.gz XUTJJDSFSOEOPC-IBGZPJMESA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495338836 458837722 /nfs/dbraw/zinc/83/77/22/458837722.db2.gz XUTJJDSFSOEOPC-IBGZPJMESA-N 2 1 339.524 3.050 20 0 EGADMP CC[C@@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+](CC)CC ZINC000518253819 458851901 /nfs/dbraw/zinc/85/19/01/458851901.db2.gz NCQZXKGKNCFTBE-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCN(CC)C(=O)[C@H](c1ccccc1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000441333091 458921625 /nfs/dbraw/zinc/92/16/25/458921625.db2.gz AAVBLEZVCWRLTE-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCO3)C[C@H]1c1ccccc1 ZINC000556053590 458925014 /nfs/dbraw/zinc/92/50/14/458925014.db2.gz VUHWYRXKGGFLNY-OALUTQOASA-N 2 1 338.451 3.383 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCO3)C[C@H]1c1ccccc1 ZINC000556053590 458925019 /nfs/dbraw/zinc/92/50/19/458925019.db2.gz VUHWYRXKGGFLNY-OALUTQOASA-N 2 1 338.451 3.383 20 0 EGADMP C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000495734450 458934378 /nfs/dbraw/zinc/93/43/78/458934378.db2.gz NKYRYTLSFRLQIC-KBAYOESNSA-N 2 1 347.503 3.325 20 0 EGADMP C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000495734450 458934383 /nfs/dbraw/zinc/93/43/83/458934383.db2.gz NKYRYTLSFRLQIC-KBAYOESNSA-N 2 1 347.503 3.325 20 0 EGADMP C[C@@H](C[C@@H]1COCC[NH2+]1)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000566672716 458980682 /nfs/dbraw/zinc/98/06/82/458980682.db2.gz GZHNTTCLWQBBBH-DZGCQCFKSA-N 2 1 330.476 3.050 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000566716888 458987909 /nfs/dbraw/zinc/98/79/09/458987909.db2.gz OKAPXFAFBTWAJO-SFTDATJTSA-N 2 1 330.516 3.382 20 0 EGADMP Cc1ccc(OC[C@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c(C)c1 ZINC000519698480 458989757 /nfs/dbraw/zinc/98/97/57/458989757.db2.gz YWLKUOIIIMXRGX-WOJBJXKFSA-N 2 1 348.531 3.287 20 0 EGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000531971033 459009372 /nfs/dbraw/zinc/00/93/72/459009372.db2.gz QTXZGIJAWBSJLN-HXUWFJFHSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000442762816 459032679 /nfs/dbraw/zinc/03/26/79/459032679.db2.gz QYSSTQAWQNVKHW-VKJFTORMSA-N 2 1 349.494 3.088 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000442762816 459032685 /nfs/dbraw/zinc/03/26/85/459032685.db2.gz QYSSTQAWQNVKHW-VKJFTORMSA-N 2 1 349.494 3.088 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000442762807 459033168 /nfs/dbraw/zinc/03/31/68/459033168.db2.gz QYSSTQAWQNVKHW-IIDMSEBBSA-N 2 1 349.494 3.088 20 0 EGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000442762807 459033174 /nfs/dbraw/zinc/03/31/74/459033174.db2.gz QYSSTQAWQNVKHW-IIDMSEBBSA-N 2 1 349.494 3.088 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442916764 459059911 /nfs/dbraw/zinc/05/99/11/459059911.db2.gz AJLHUQQXUMBGNH-IBGZPJMESA-N 2 1 326.488 3.109 20 0 EGADMP CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999358 459064773 /nfs/dbraw/zinc/06/47/73/459064773.db2.gz BNWFXQUQPXBSEU-YLJYHZDGSA-N 2 1 345.531 3.265 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496120495 459074690 /nfs/dbraw/zinc/07/46/90/459074690.db2.gz HLLHPSYHHCWELD-IRXDYDNUSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496120495 459074699 /nfs/dbraw/zinc/07/46/99/459074699.db2.gz HLLHPSYHHCWELD-IRXDYDNUSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496120495 459074703 /nfs/dbraw/zinc/07/47/03/459074703.db2.gz HLLHPSYHHCWELD-IRXDYDNUSA-N 2 1 339.524 3.098 20 0 EGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C1CCOCC1 ZINC000532464988 459093281 /nfs/dbraw/zinc/09/32/81/459093281.db2.gz CLHYTTOFGMYFKV-LAUBAEHRSA-N 2 1 346.515 3.202 20 0 EGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C1CCOCC1 ZINC000532464988 459093284 /nfs/dbraw/zinc/09/32/84/459093284.db2.gz CLHYTTOFGMYFKV-LAUBAEHRSA-N 2 1 346.515 3.202 20 0 EGADMP C[N@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000577785621 459094971 /nfs/dbraw/zinc/09/49/71/459094971.db2.gz URXBWDSVBAQYSR-BURNTYAHSA-N 2 1 328.500 3.100 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000577785621 459094975 /nfs/dbraw/zinc/09/49/75/459094975.db2.gz URXBWDSVBAQYSR-BURNTYAHSA-N 2 1 328.500 3.100 20 0 EGADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000577785621 459094978 /nfs/dbraw/zinc/09/49/78/459094978.db2.gz URXBWDSVBAQYSR-BURNTYAHSA-N 2 1 328.500 3.100 20 0 EGADMP C[NH+](C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000577785621 459094981 /nfs/dbraw/zinc/09/49/81/459094981.db2.gz URXBWDSVBAQYSR-BURNTYAHSA-N 2 1 328.500 3.100 20 0 EGADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1Cl ZINC000532505515 459102233 /nfs/dbraw/zinc/10/22/33/459102233.db2.gz LVKVDOVTYLWEIH-ZBFHGGJFSA-N 2 1 340.895 3.236 20 0 EGADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1)C1CCCC1 ZINC000496211721 459109530 /nfs/dbraw/zinc/10/95/30/459109530.db2.gz GTTSXVMZLKPEPL-PKOBYXMFSA-N 2 1 345.487 3.147 20 0 EGADMP COCCCOc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000578088901 459143871 /nfs/dbraw/zinc/14/38/71/459143871.db2.gz MYQBBVGPEDMSGE-UHFFFAOYSA-N 2 1 332.488 3.066 20 0 EGADMP COc1ccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c2ccccc12 ZINC000521514424 459158798 /nfs/dbraw/zinc/15/87/98/459158798.db2.gz YLHGMEYSUSJRSY-UHFFFAOYSA-N 2 1 343.515 3.164 20 0 EGADMP C[C@@H]([N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)(C)C ZINC000532928068 459161543 /nfs/dbraw/zinc/16/15/43/459161543.db2.gz FYOFRGPDYWPOEU-QGZVFWFLSA-N 2 1 345.531 3.265 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3CN(CCC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC000558477734 459164233 /nfs/dbraw/zinc/16/42/33/459164233.db2.gz HUZRNRBRYXDCIL-YADHBBJMSA-N 2 1 341.543 3.316 20 0 EGADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000479794222 459167709 /nfs/dbraw/zinc/16/77/09/459167709.db2.gz SXZLXBBMLOVLEQ-ZWKOTPCHSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000558501306 459168481 /nfs/dbraw/zinc/16/84/81/459168481.db2.gz KZFYDCKXVGKSEQ-NSHGMRRFSA-N 2 1 332.536 3.002 20 0 EGADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000558501306 459168482 /nfs/dbraw/zinc/16/84/82/459168482.db2.gz KZFYDCKXVGKSEQ-NSHGMRRFSA-N 2 1 332.536 3.002 20 0 EGADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000558501306 459168486 /nfs/dbraw/zinc/16/84/86/459168486.db2.gz KZFYDCKXVGKSEQ-NSHGMRRFSA-N 2 1 332.536 3.002 20 0 EGADMP COc1cccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000480312597 459193583 /nfs/dbraw/zinc/19/35/83/459193583.db2.gz ZKFZXRLOWLKKEU-MJGOQNOKSA-N 2 1 339.483 3.481 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000558720386 459203339 /nfs/dbraw/zinc/20/33/39/459203339.db2.gz USNXYMNZCYHTGB-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCCC3)O2)[C@@H](C)C1 ZINC000558723223 459205111 /nfs/dbraw/zinc/20/51/11/459205111.db2.gz OJKNQXRCZHIRFG-FHWLQOOXSA-N 2 1 338.536 3.205 20 0 EGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000480710502 459215929 /nfs/dbraw/zinc/21/59/29/459215929.db2.gz DPJPHTUWKIBMDW-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480710502 459215935 /nfs/dbraw/zinc/21/59/35/459215935.db2.gz DPJPHTUWKIBMDW-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480710502 459215940 /nfs/dbraw/zinc/21/59/40/459215940.db2.gz DPJPHTUWKIBMDW-MSOLQXFVSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000590787005 459219859 /nfs/dbraw/zinc/21/98/59/459219859.db2.gz QKVBSBXSMDMURR-KRWDZBQOSA-N 2 1 343.515 3.016 20 0 EGADMP C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000496517544 459223923 /nfs/dbraw/zinc/22/39/23/459223923.db2.gz ZHWQBKHBVWLLTB-NVXWUHKLSA-N 2 1 331.460 3.120 20 0 EGADMP C[C@H](c1cccc(N2CCOC2=O)c1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000496517544 459223926 /nfs/dbraw/zinc/22/39/26/459223926.db2.gz ZHWQBKHBVWLLTB-NVXWUHKLSA-N 2 1 331.460 3.120 20 0 EGADMP C[C@H](c1cccc(N2CCOC2=O)c1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000496517544 459223933 /nfs/dbraw/zinc/22/39/33/459223933.db2.gz ZHWQBKHBVWLLTB-NVXWUHKLSA-N 2 1 331.460 3.120 20 0 EGADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000533361982 459225034 /nfs/dbraw/zinc/22/50/34/459225034.db2.gz NSGLALUEHBRQND-RCCFBDPRSA-N 2 1 335.561 3.451 20 0 EGADMP CCCN(CCC)C(=O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183283 459237553 /nfs/dbraw/zinc/23/75/53/459237553.db2.gz AWJKGMVRRJWIGE-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CCCN(CCC)C(=O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000481183283 459237558 /nfs/dbraw/zinc/23/75/58/459237558.db2.gz AWJKGMVRRJWIGE-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CCCN(CCC)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183283 459237565 /nfs/dbraw/zinc/23/75/65/459237565.db2.gz AWJKGMVRRJWIGE-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CCCN(CCC)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183283 459237570 /nfs/dbraw/zinc/23/75/70/459237570.db2.gz AWJKGMVRRJWIGE-AZUAARDMSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC[C@@H]3CCc4ccccc43)C2)CC1 ZINC000595340221 459280388 /nfs/dbraw/zinc/28/03/88/459280388.db2.gz RINZADPLCRGYKF-LEWJYISDSA-N 2 1 341.543 3.207 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496695880 459289992 /nfs/dbraw/zinc/28/99/92/459289992.db2.gz SFVHTYIZZVLJJP-QZWWFDLISA-N 2 1 339.524 3.237 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496695880 459289995 /nfs/dbraw/zinc/28/99/95/459289995.db2.gz SFVHTYIZZVLJJP-QZWWFDLISA-N 2 1 339.524 3.237 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2ccccc21 ZINC000482135938 459291327 /nfs/dbraw/zinc/29/13/27/459291327.db2.gz PCHNJGLVHOXYDV-OALUTQOASA-N 2 1 343.515 3.066 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@@H](C)c1ccccc1 ZINC000482166321 459294484 /nfs/dbraw/zinc/29/44/84/459294484.db2.gz TYBLCDBDWAVIGV-IHPCNDPISA-N 2 1 345.531 3.354 20 0 EGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000496721275 459300047 /nfs/dbraw/zinc/30/00/47/459300047.db2.gz PEUUMRWGADTUJA-HOTGVXAUSA-N 2 1 339.524 3.096 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC000496771337 459317608 /nfs/dbraw/zinc/31/76/08/459317608.db2.gz JTHICFIUMVDQEF-HOTGVXAUSA-N 2 1 327.513 3.048 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC000496771337 459317619 /nfs/dbraw/zinc/31/76/19/459317619.db2.gz JTHICFIUMVDQEF-HOTGVXAUSA-N 2 1 327.513 3.048 20 0 EGADMP CO[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000560285159 459319888 /nfs/dbraw/zinc/31/98/88/459319888.db2.gz FLFRKAUGFWTGRZ-HDICACEKSA-N 2 1 340.552 3.260 20 0 EGADMP CO[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000560285159 459319892 /nfs/dbraw/zinc/31/98/92/459319892.db2.gz FLFRKAUGFWTGRZ-HDICACEKSA-N 2 1 340.552 3.260 20 0 EGADMP CO[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000560285159 459319894 /nfs/dbraw/zinc/31/98/94/459319894.db2.gz FLFRKAUGFWTGRZ-HDICACEKSA-N 2 1 340.552 3.260 20 0 EGADMP CCC(C)(C)[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000560343695 459326933 /nfs/dbraw/zinc/32/69/33/459326933.db2.gz UGROGMONNMZITC-VQIMIIECSA-N 2 1 345.531 3.298 20 0 EGADMP CCOc1cc(C[N@@H+](C)CCC[NH3+])ccc1OCc1ccccc1 ZINC000568761995 459341805 /nfs/dbraw/zinc/34/18/05/459341805.db2.gz QAGBVFPOHHKYTP-UHFFFAOYSA-N 2 1 328.456 3.445 20 0 EGADMP C[N@H+]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C2(CCCCC2)C1 ZINC000483142430 459344263 /nfs/dbraw/zinc/34/42/63/459344263.db2.gz IDANHTBWKMVTJI-SFHVURJKSA-N 2 1 347.547 3.118 20 0 EGADMP C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C2(CCCCC2)C1 ZINC000483142430 459344269 /nfs/dbraw/zinc/34/42/69/459344269.db2.gz IDANHTBWKMVTJI-SFHVURJKSA-N 2 1 347.547 3.118 20 0 EGADMP CC[N@H+](CCC1CC[NH+](Cc2cn(C(C)(C)C)nn2)CC1)CC1CC1 ZINC000483255726 459355177 /nfs/dbraw/zinc/35/51/77/459355177.db2.gz QJVJMZANVDWRKB-UHFFFAOYSA-N 2 1 347.551 3.367 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2cn(C(C)(C)C)nn2)CC1)CC1CC1 ZINC000483255726 459355184 /nfs/dbraw/zinc/35/51/84/459355184.db2.gz QJVJMZANVDWRKB-UHFFFAOYSA-N 2 1 347.551 3.367 20 0 EGADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(C)cc1 ZINC000524424509 459362359 /nfs/dbraw/zinc/36/23/59/459362359.db2.gz AMPMWSBEBVZJPS-UHFFFAOYSA-N 2 1 345.531 3.196 20 0 EGADMP CCc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c2ccccc2[nH+]1 ZINC000568968513 459374368 /nfs/dbraw/zinc/37/43/68/459374368.db2.gz MYBYHKVLOJRTFH-WBVHZDCISA-N 2 1 325.456 3.097 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](CCc2ccncc2C)CC1 ZINC000569114928 459398934 /nfs/dbraw/zinc/39/89/34/459398934.db2.gz ZUPAZLOFTUGPAF-UHFFFAOYSA-N 2 1 333.520 3.003 20 0 EGADMP CCCCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000484725415 459428513 /nfs/dbraw/zinc/42/85/13/459428513.db2.gz CXWZHCIEIAGAET-ZCNNSNEGSA-N 2 1 332.488 3.112 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)C1 ZINC000582887311 459444306 /nfs/dbraw/zinc/44/43/06/459444306.db2.gz OFJIBGLIILQVMU-AYOQOUSVSA-N 2 1 336.907 3.362 20 0 EGADMP CC[C@@]1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCC[NH2+]1 ZINC000569849867 459521063 /nfs/dbraw/zinc/52/10/63/459521063.db2.gz GCSRSXJKAANHPG-HKUYNNGSSA-N 2 1 349.906 3.125 20 0 EGADMP C[C@H](CCC(C)(C)C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000542541279 459568641 /nfs/dbraw/zinc/56/86/41/459568641.db2.gz IYBHIRCEGLACIP-OAHLLOKOSA-N 2 1 332.492 3.234 20 0 EGADMP Cc1nnsc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000583756279 459592449 /nfs/dbraw/zinc/59/24/49/459592449.db2.gz WRBNQMTUGZUVFG-UHFFFAOYSA-N 2 1 342.512 3.335 20 0 EGADMP Cc1nnsc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000583756279 459592455 /nfs/dbraw/zinc/59/24/55/459592455.db2.gz WRBNQMTUGZUVFG-UHFFFAOYSA-N 2 1 342.512 3.335 20 0 EGADMP CC(C)c1[nH+]c(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)c2ccccn21 ZINC000583816740 459602350 /nfs/dbraw/zinc/60/23/50/459602350.db2.gz JHOHBGVETCZHFZ-MRXNPFEDSA-N 2 1 326.488 3.374 20 0 EGADMP CC(C)c1[nH+]c(CN2CC[N@H+](C3CC3)C[C@H](C)C2)c2ccccn21 ZINC000583816740 459602353 /nfs/dbraw/zinc/60/23/53/459602353.db2.gz JHOHBGVETCZHFZ-MRXNPFEDSA-N 2 1 326.488 3.374 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000562615784 459602839 /nfs/dbraw/zinc/60/28/39/459602839.db2.gz SQBGCCLFPNMUIA-FCGDIQPGSA-N 2 1 332.536 3.404 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](C[C@@](C)(O)C(F)(F)F)CC1)CC(C)C ZINC000499600566 459641649 /nfs/dbraw/zinc/64/16/49/459641649.db2.gz OWMNZGZVNJLGJI-MRXNPFEDSA-N 2 1 338.458 3.380 20 0 EGADMP Cc1ncccc1Cc1noc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000573310530 459657381 /nfs/dbraw/zinc/65/73/81/459657381.db2.gz CDPNQJNJDSTVKN-GOSISDBHSA-N 2 1 349.438 3.138 20 0 EGADMP Cc1ncccc1Cc1noc([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000573310530 459657386 /nfs/dbraw/zinc/65/73/86/459657386.db2.gz CDPNQJNJDSTVKN-GOSISDBHSA-N 2 1 349.438 3.138 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000563036067 459701610 /nfs/dbraw/zinc/70/16/10/459701610.db2.gz ALIQCGSOYNRQTA-SJLPKXTDSA-N 2 1 331.504 3.093 20 0 EGADMP Cc1cccc([C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C(C)C)c1 ZINC000527860887 459761246 /nfs/dbraw/zinc/76/12/46/459761246.db2.gz KRWNRWRGOFHTCH-NRFANRHFSA-N 2 1 345.531 3.224 20 0 EGADMP CCc1ccc(-c2noc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000584529879 459762689 /nfs/dbraw/zinc/76/26/89/459762689.db2.gz CUCGSVNIZWOZQQ-SFHVURJKSA-N 2 1 340.471 3.121 20 0 EGADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000574192528 459789527 /nfs/dbraw/zinc/78/95/27/459789527.db2.gz ZZDMONGVVFFOIO-VQTJNVASSA-N 2 1 348.531 3.001 20 0 EGADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000574192502 459790031 /nfs/dbraw/zinc/79/00/31/459790031.db2.gz ZZDMONGVVFFOIO-PMACEKPBSA-N 2 1 348.531 3.001 20 0 EGADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000528004666 459793049 /nfs/dbraw/zinc/79/30/49/459793049.db2.gz RQLDXRNTKZEPAA-HDMXUNIBSA-N 2 1 328.500 3.299 20 0 EGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000545905606 459869186 /nfs/dbraw/zinc/86/91/86/459869186.db2.gz ZEGHLYSWHFUAAG-OAHLLOKOSA-N 2 1 329.488 3.355 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000545905606 459869192 /nfs/dbraw/zinc/86/91/92/459869192.db2.gz ZEGHLYSWHFUAAG-OAHLLOKOSA-N 2 1 329.488 3.355 20 0 EGADMP Cc1cncc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000545939554 459875773 /nfs/dbraw/zinc/87/57/73/459875773.db2.gz CVVVTOKNCNDLHN-SJLPKXTDSA-N 2 1 344.528 3.091 20 0 EGADMP C[C@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000574865737 459883321 /nfs/dbraw/zinc/88/33/21/459883321.db2.gz PMVXVOZLTNMHFP-FSOQPWQOSA-N 2 1 348.453 3.465 20 0 EGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(C(F)F)cc2)CC1 ZINC000588033346 459904501 /nfs/dbraw/zinc/90/45/01/459904501.db2.gz VVVNTLAZDUIJRE-UHFFFAOYSA-N 2 1 346.381 3.023 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000575052605 459916299 /nfs/dbraw/zinc/91/62/99/459916299.db2.gz CPGFOBREMNPNTR-WMLDXEAASA-N 2 1 344.421 3.464 20 0 EGADMP COC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602506343 459972809 /nfs/dbraw/zinc/97/28/09/459972809.db2.gz OICDZMSXGJZENI-SJLPKXTDSA-N 2 1 330.472 3.143 20 0 EGADMP COC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602506343 459972814 /nfs/dbraw/zinc/97/28/14/459972814.db2.gz OICDZMSXGJZENI-SJLPKXTDSA-N 2 1 330.472 3.143 20 0 EGADMP c1cnc(Oc2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)cn1 ZINC000575850675 460017291 /nfs/dbraw/zinc/01/72/91/460017291.db2.gz NSMWUNCMNXDDCX-HKUYNNGSSA-N 2 1 338.455 3.233 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)c2ccccc21 ZINC000621749009 460046059 /nfs/dbraw/zinc/04/60/59/460046059.db2.gz PYECSJCRXYSJCP-LJQANCHMSA-N 2 1 329.488 3.196 20 0 EGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000621780233 460060996 /nfs/dbraw/zinc/06/09/96/460060996.db2.gz OZRZDNHAVJOGBS-BDJLRTHQSA-N 2 1 342.270 3.135 20 0 EGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000621780233 460060999 /nfs/dbraw/zinc/06/09/99/460060999.db2.gz OZRZDNHAVJOGBS-BDJLRTHQSA-N 2 1 342.270 3.135 20 0 EGADMP C[C@@H]1[C@H](NC2CC[NH+](CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000576134270 460077185 /nfs/dbraw/zinc/07/71/85/460077185.db2.gz BHGMMIGSDDGEPS-DYESRHJHSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@@H]1[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCN1Cc1ccccc1 ZINC000576134270 460077193 /nfs/dbraw/zinc/07/71/93/460077193.db2.gz BHGMMIGSDDGEPS-DYESRHJHSA-N 2 1 327.516 3.113 20 0 EGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000576507142 460155472 /nfs/dbraw/zinc/15/54/72/460155472.db2.gz MYILADSQWMBIJD-MOPGFXCFSA-N 2 1 338.455 3.084 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000602869165 460166048 /nfs/dbraw/zinc/16/60/48/460166048.db2.gz JNJJDMYPVCMUKR-IBGZPJMESA-N 2 1 344.547 3.352 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000602951070 460199258 /nfs/dbraw/zinc/19/92/58/460199258.db2.gz JSAHCMGISUQWRR-HXUWFJFHSA-N 2 1 343.515 3.163 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCCC[NH+]3C)cc2)C1 ZINC000599309866 460224805 /nfs/dbraw/zinc/22/48/05/460224805.db2.gz KHUINEQRMKPZQZ-APWZRJJASA-N 2 1 329.488 3.341 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCCC[NH+]3C)cc2)C1 ZINC000599309866 460224807 /nfs/dbraw/zinc/22/48/07/460224807.db2.gz KHUINEQRMKPZQZ-APWZRJJASA-N 2 1 329.488 3.341 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000599309866 460224811 /nfs/dbraw/zinc/22/48/11/460224811.db2.gz KHUINEQRMKPZQZ-APWZRJJASA-N 2 1 329.488 3.341 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCCC[N@H+]3C)cc2)C1 ZINC000599309866 460224814 /nfs/dbraw/zinc/22/48/14/460224814.db2.gz KHUINEQRMKPZQZ-APWZRJJASA-N 2 1 329.488 3.341 20 0 EGADMP COC(=O)CCCC[N@H+]1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000599340380 460232009 /nfs/dbraw/zinc/23/20/09/460232009.db2.gz UZGUQKGQCNQYED-INIZCTEOSA-N 2 1 329.444 3.152 20 0 EGADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000622569218 460280290 /nfs/dbraw/zinc/28/02/90/460280290.db2.gz WCBYMJNYPXVIFV-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622569218 460280293 /nfs/dbraw/zinc/28/02/93/460280293.db2.gz WCBYMJNYPXVIFV-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000622569218 460280296 /nfs/dbraw/zinc/28/02/96/460280296.db2.gz WCBYMJNYPXVIFV-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)c1C ZINC000600124584 460393235 /nfs/dbraw/zinc/39/32/35/460393235.db2.gz NUDLAHVSTJVCFG-CZUORRHYSA-N 2 1 335.492 3.113 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)c1C ZINC000600124584 460393241 /nfs/dbraw/zinc/39/32/41/460393241.db2.gz NUDLAHVSTJVCFG-CZUORRHYSA-N 2 1 335.492 3.113 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1C ZINC000600124584 460393243 /nfs/dbraw/zinc/39/32/43/460393243.db2.gz NUDLAHVSTJVCFG-CZUORRHYSA-N 2 1 335.492 3.113 20 0 EGADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)c1C ZINC000600124584 460393250 /nfs/dbraw/zinc/39/32/50/460393250.db2.gz NUDLAHVSTJVCFG-CZUORRHYSA-N 2 1 335.492 3.113 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634685820 460475756 /nfs/dbraw/zinc/47/57/56/460475756.db2.gz WKFPAKLPGQDXMH-HSALFYBXSA-N 2 1 346.515 3.071 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634685820 460475764 /nfs/dbraw/zinc/47/57/64/460475764.db2.gz WKFPAKLPGQDXMH-HSALFYBXSA-N 2 1 346.515 3.071 20 0 EGADMP COc1cccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1OC(F)F ZINC000634732297 460498439 /nfs/dbraw/zinc/49/84/39/460498439.db2.gz CHAHQHMROOXNDG-CYBMUJFWSA-N 2 1 328.403 3.164 20 0 EGADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@H](O)C(F)(F)F ZINC000631716190 460528929 /nfs/dbraw/zinc/52/89/29/460528929.db2.gz JQFPPZXBBVHZAG-LYAPFXNSSA-N 2 1 344.421 3.331 20 0 EGADMP Cc1csc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)n1 ZINC000623889763 460763299 /nfs/dbraw/zinc/76/32/99/460763299.db2.gz VPKZTIJBEJJAOO-OAHLLOKOSA-N 2 1 345.512 3.259 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@H]3CCCc4scnc43)CC2)nc(C)[nH+]1 ZINC000623902810 460768697 /nfs/dbraw/zinc/76/86/97/460768697.db2.gz QHZINVVKRIVIEU-HNNXBMFYSA-N 2 1 343.500 3.186 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)o1 ZINC000607125380 460793362 /nfs/dbraw/zinc/79/33/62/460793362.db2.gz YLONLYOONFBEHY-HZPDHXFCSA-N 2 1 335.492 3.066 20 0 EGADMP FC(F)(F)c1ncccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000629531949 460797352 /nfs/dbraw/zinc/79/73/52/460797352.db2.gz FRZKBACFQHMKBI-KGLIPLIRSA-N 2 1 327.394 3.312 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(OC(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000629563505 460810511 /nfs/dbraw/zinc/81/05/11/460810511.db2.gz RCABEDYARHMUIQ-YPMHNXCESA-N 2 1 338.320 3.247 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000629563505 460810517 /nfs/dbraw/zinc/81/05/17/460810517.db2.gz RCABEDYARHMUIQ-YPMHNXCESA-N 2 1 338.320 3.247 20 0 EGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(F)c3cccnc23)CC[C@@H]1C(F)(F)F ZINC000629563092 460811158 /nfs/dbraw/zinc/81/11/58/460811158.db2.gz PUQLKAOMQISEGS-JSGCOSHPSA-N 2 1 341.352 3.333 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(F)c3cccnc23)CC[C@@H]1C(F)(F)F ZINC000629563092 460811162 /nfs/dbraw/zinc/81/11/62/460811162.db2.gz PUQLKAOMQISEGS-JSGCOSHPSA-N 2 1 341.352 3.333 20 0 EGADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629563358 460811375 /nfs/dbraw/zinc/81/13/75/460811375.db2.gz DRZREIUPZORMJT-ZBFHGGJFSA-N 2 1 330.394 3.141 20 0 EGADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629563358 460811377 /nfs/dbraw/zinc/81/13/77/460811377.db2.gz DRZREIUPZORMJT-ZBFHGGJFSA-N 2 1 330.394 3.141 20 0 EGADMP COc1ccccc1CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565935 460812203 /nfs/dbraw/zinc/81/22/03/460812203.db2.gz XHQYITBOJHVRHZ-HUUCEWRRSA-N 2 1 330.394 3.087 20 0 EGADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000624121898 460870324 /nfs/dbraw/zinc/87/03/24/460870324.db2.gz FUYJFGMVLPPGCO-QUCCMNQESA-N 2 1 341.503 3.039 20 0 EGADMP CCc1nc2cc(CNC(=O)[C@@H]3CCCC[N@H+]3C)ccc2n1C1CC1 ZINC000635906319 460971389 /nfs/dbraw/zinc/97/13/89/460971389.db2.gz VMCSAQZZTLUPRM-SFHVURJKSA-N 2 1 340.471 3.034 20 0 EGADMP CCc1nc2cc(CNC(=O)[C@@H]3CCCCN3C)ccc2n1C1CC1 ZINC000635906319 460971396 /nfs/dbraw/zinc/97/13/96/460971396.db2.gz VMCSAQZZTLUPRM-SFHVURJKSA-N 2 1 340.471 3.034 20 0 EGADMP Cc1cn2ccc(NC(=O)NC[C@@H](C)[N@H+]3CCCC[C@H]3C)cc2n1 ZINC000668152044 461137406 /nfs/dbraw/zinc/13/74/06/461137406.db2.gz XMXYWSVWOHEJCU-HUUCEWRRSA-N 2 1 329.448 3.027 20 0 EGADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)[C@@H]1CC[NH3+] ZINC000652353919 461149720 /nfs/dbraw/zinc/14/97/20/461149720.db2.gz HBMWXUGLIVRGCM-BLLLJJGKSA-N 2 1 341.858 3.257 20 0 EGADMP C[C@H]1CCC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)[C@H]1CC[NH3+] ZINC000652355365 461149996 /nfs/dbraw/zinc/14/99/96/461149996.db2.gz WNQKBYYJHHWYOQ-JXFKEZNVSA-N 2 1 338.499 3.310 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)[C@H]1CC[NH3+] ZINC000652355365 461150003 /nfs/dbraw/zinc/15/00/03/461150003.db2.gz WNQKBYYJHHWYOQ-JXFKEZNVSA-N 2 1 338.499 3.310 20 0 EGADMP C[C@H]1CCC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)[C@@H]1CC[NH3+] ZINC000652355143 461150079 /nfs/dbraw/zinc/15/00/79/461150079.db2.gz QBIPSWCYYOHGQQ-XJKSGUPXSA-N 2 1 348.878 3.382 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cncc(Br)c1C ZINC000668168504 461153737 /nfs/dbraw/zinc/15/37/37/461153737.db2.gz ZLTGRHIBOMJAEH-UHFFFAOYSA-N 2 1 337.265 3.180 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cncc(Br)c1C ZINC000668168504 461153748 /nfs/dbraw/zinc/15/37/48/461153748.db2.gz ZLTGRHIBOMJAEH-UHFFFAOYSA-N 2 1 337.265 3.180 20 0 EGADMP Fc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000662273789 461161191 /nfs/dbraw/zinc/16/11/91/461161191.db2.gz PDLXJRDHGYASBQ-QWHCGFSZSA-N 2 1 328.378 3.249 20 0 EGADMP CC(C)c1nc([C@@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)no1 ZINC000662277585 461163717 /nfs/dbraw/zinc/16/37/17/461163717.db2.gz RQRFIPYJUROMAP-QGZVFWFLSA-N 2 1 340.471 3.218 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000649551779 461168695 /nfs/dbraw/zinc/16/86/95/461168695.db2.gz KNLMZMXJONHJBC-QGZVFWFLSA-N 2 1 330.520 3.306 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000649551779 461168699 /nfs/dbraw/zinc/16/86/99/461168699.db2.gz KNLMZMXJONHJBC-QGZVFWFLSA-N 2 1 330.520 3.306 20 0 EGADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296187 461175360 /nfs/dbraw/zinc/17/53/60/461175360.db2.gz XJIMCELKQZBRAE-SFHVURJKSA-N 2 1 343.515 3.460 20 0 EGADMP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)c3cnc(C)nc3C)C2)[nH+]1 ZINC000638006936 461191628 /nfs/dbraw/zinc/19/16/28/461191628.db2.gz MTWQEYNGOYZRPN-RDJZCZTQSA-N 2 1 325.460 3.292 20 0 EGADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)c3cnc(C)nc3C)C2)[nH+]1 ZINC000638006936 461191640 /nfs/dbraw/zinc/19/16/40/461191640.db2.gz MTWQEYNGOYZRPN-RDJZCZTQSA-N 2 1 325.460 3.292 20 0 EGADMP C[C@H](N(C)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1(C)CC1 ZINC000638040890 461212166 /nfs/dbraw/zinc/21/21/66/461212166.db2.gz HDHSQIBIVNOIRO-KRWDZBQOSA-N 2 1 343.515 3.017 20 0 EGADMP C[NH2+][C@H](C(=O)NCC1([NH3+])CCCCC1)c1cccc(Cl)c1Cl ZINC000662393703 461230170 /nfs/dbraw/zinc/23/01/70/461230170.db2.gz VYYLSSXPOXOTQV-AWEZNQCLSA-N 2 1 344.286 3.032 20 0 EGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)c2C1 ZINC000655446782 461254594 /nfs/dbraw/zinc/25/45/94/461254594.db2.gz APKYGPIQYKGSCN-RXVVDRJESA-N 2 1 341.499 3.377 20 0 EGADMP C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000649782711 461346896 /nfs/dbraw/zinc/34/68/96/461346896.db2.gz QIYMIAMFBYFUBY-BPQIPLTHSA-N 2 1 346.519 3.322 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2[NH2+]CCC2(C)C)c1 ZINC000662685348 461348348 /nfs/dbraw/zinc/34/83/48/461348348.db2.gz ROPRZZOMZYJYCN-KRWDZBQOSA-N 2 1 340.471 3.381 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000662695102 461350279 /nfs/dbraw/zinc/35/02/79/461350279.db2.gz GIGFUUXXOZRLNZ-IBGZPJMESA-N 2 1 333.520 3.154 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1OC(F)F ZINC000638321610 461366416 /nfs/dbraw/zinc/36/64/16/461366416.db2.gz NBVXESNQGBOUPO-ZDUSSCGKSA-N 2 1 342.430 3.174 20 0 EGADMP COc1ccccc1C(C)(C)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655704415 461376692 /nfs/dbraw/zinc/37/66/92/461376692.db2.gz WYSLGVWFOXJLSQ-GOSISDBHSA-N 2 1 346.515 3.206 20 0 EGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000641805508 461380241 /nfs/dbraw/zinc/38/02/41/461380241.db2.gz NDHPEZGSEFQNDV-AQUOVQTQSA-N 2 1 330.259 3.036 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000641806984 461382279 /nfs/dbraw/zinc/38/22/79/461382279.db2.gz TUJQQVPEWAWKLU-JVPBZIDWSA-N 2 1 337.467 3.396 20 0 EGADMP CO[C@H](C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CCOC1 ZINC000638363299 461389037 /nfs/dbraw/zinc/38/90/37/461389037.db2.gz LAYDEXDAFPNHIG-DUXKGJEZSA-N 2 1 346.515 3.060 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000655719461 461389983 /nfs/dbraw/zinc/38/99/83/461389983.db2.gz JBHIZCRXHWEDMB-MRXNPFEDSA-N 2 1 330.451 3.141 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000655719461 461389989 /nfs/dbraw/zinc/38/99/89/461389989.db2.gz JBHIZCRXHWEDMB-MRXNPFEDSA-N 2 1 330.451 3.141 20 0 EGADMP CO[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)[C@H]1CCOC1 ZINC000638367142 461390961 /nfs/dbraw/zinc/39/09/61/461390961.db2.gz MKXLZMLWYCXJMH-DZFGPLHGSA-N 2 1 346.515 3.202 20 0 EGADMP CCOCCC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCC1 ZINC000655723890 461394012 /nfs/dbraw/zinc/39/40/12/461394012.db2.gz VKOAHBNAQVNMLI-IBGZPJMESA-N 2 1 338.536 3.206 20 0 EGADMP Clc1cccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)c1 ZINC000655726731 461394948 /nfs/dbraw/zinc/39/49/48/461394948.db2.gz OZXUETKJTXZQEK-GOSISDBHSA-N 2 1 334.891 3.215 20 0 EGADMP c1ccc(-c2cccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)c2)nc1 ZINC000655734887 461403689 /nfs/dbraw/zinc/40/36/89/461403689.db2.gz OXGLULJHNPGNIJ-HXUWFJFHSA-N 2 1 337.467 3.092 20 0 EGADMP CCCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(C)c1 ZINC000655759580 461425220 /nfs/dbraw/zinc/42/52/20/461425220.db2.gz CRTYFLKSVTYDID-IBGZPJMESA-N 2 1 332.488 3.127 20 0 EGADMP Cc1cc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Cl ZINC000655769426 461434634 /nfs/dbraw/zinc/43/46/34/461434634.db2.gz HVKMZFMAJYRMMD-GOSISDBHSA-N 2 1 336.907 3.424 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666082546 461446327 /nfs/dbraw/zinc/44/63/27/461446327.db2.gz KKSRKIANURRYME-GOSISDBHSA-N 2 1 349.950 3.205 20 0 EGADMP CC[C@@H](C)[C@@H](C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)OC ZINC000638524801 461465983 /nfs/dbraw/zinc/46/59/83/461465983.db2.gz RQLSFZJZBSVGTL-RDTXWAMCSA-N 2 1 337.508 3.154 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H](CC)C2)cc1 ZINC000647010564 461481297 /nfs/dbraw/zinc/48/12/97/461481297.db2.gz SUNYKRBPFQAUTI-IEBWSBKVSA-N 2 1 331.504 3.118 20 0 EGADMP c1ccc([C@@H]2C[C@@H](N[C@H]3CC[N@H+](CC4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638583030 461494106 /nfs/dbraw/zinc/49/41/06/461494106.db2.gz WWQAGEHOFNEIPN-ONTIZHBOSA-N 2 1 339.527 3.428 20 0 EGADMP c1ccc([C@@H]2C[C@@H](N[C@H]3CC[NH+](CC4CC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000638583030 461494111 /nfs/dbraw/zinc/49/41/11/461494111.db2.gz WWQAGEHOFNEIPN-ONTIZHBOSA-N 2 1 339.527 3.428 20 0 EGADMP c1ccc([C@@H]2C[C@@H](N[C@H]3CC[NH+](CC4CC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000638583030 461494118 /nfs/dbraw/zinc/49/41/18/461494118.db2.gz WWQAGEHOFNEIPN-ONTIZHBOSA-N 2 1 339.527 3.428 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCOC[C@H]3CCCO3)CC[N@@H+]2C2CC2)cc1 ZINC000638635659 461511829 /nfs/dbraw/zinc/51/18/29/461511829.db2.gz XPFQMKJVMKNKCS-TYPHKJRUSA-N 2 1 344.499 3.140 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCOC[C@H]3CCCO3)CC[N@H+]2C2CC2)cc1 ZINC000638635659 461511840 /nfs/dbraw/zinc/51/18/40/461511840.db2.gz XPFQMKJVMKNKCS-TYPHKJRUSA-N 2 1 344.499 3.140 20 0 EGADMP OC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638760332 461563934 /nfs/dbraw/zinc/56/39/34/461563934.db2.gz OMIZYFYZWYJGFZ-MCNSAMFCSA-N 2 1 328.500 3.495 20 0 EGADMP OC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638760332 461563941 /nfs/dbraw/zinc/56/39/41/461563941.db2.gz OMIZYFYZWYJGFZ-MCNSAMFCSA-N 2 1 328.500 3.495 20 0 EGADMP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663345947 461575032 /nfs/dbraw/zinc/57/50/32/461575032.db2.gz PJGXQGFRZIEWAG-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000663346982 461577237 /nfs/dbraw/zinc/57/72/37/461577237.db2.gz DSPDIXNEJIMMHJ-INIZCTEOSA-N 2 1 328.460 3.190 20 0 EGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347096 461577943 /nfs/dbraw/zinc/57/79/43/461577943.db2.gz ZFLNXHFYMUEKAN-SFHVURJKSA-N 2 1 332.536 3.467 20 0 EGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347096 461577949 /nfs/dbraw/zinc/57/79/49/461577949.db2.gz ZFLNXHFYMUEKAN-SFHVURJKSA-N 2 1 332.536 3.467 20 0 EGADMP O=c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000631139706 461584184 /nfs/dbraw/zinc/58/41/84/461584184.db2.gz IGJQOKWFXRLJFF-IBGZPJMESA-N 2 1 325.456 3.179 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000663357726 461585503 /nfs/dbraw/zinc/58/55/03/461585503.db2.gz WEOLZNCTEGDXOI-SFHVURJKSA-N 2 1 331.504 3.284 20 0 EGADMP Fc1cc(Br)cc2c1CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000643058498 461598083 /nfs/dbraw/zinc/59/80/83/461598083.db2.gz IDAHIRXTKGUOHO-GFCCVEGCSA-N 2 1 341.268 3.336 20 0 EGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000638853806 461618652 /nfs/dbraw/zinc/61/86/52/461618652.db2.gz KGAHJCNFNCBRPK-QFBILLFUSA-N 2 1 331.504 3.064 20 0 EGADMP CCCn1nccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631194175 461633028 /nfs/dbraw/zinc/63/30/28/461633028.db2.gz JKHKXEUJPIHMDX-HKUYNNGSSA-N 2 1 326.488 3.151 20 0 EGADMP CCCn1nccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631194175 461633034 /nfs/dbraw/zinc/63/30/34/461633034.db2.gz JKHKXEUJPIHMDX-HKUYNNGSSA-N 2 1 326.488 3.151 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000631193816 461633049 /nfs/dbraw/zinc/63/30/49/461633049.db2.gz GEFOVVGAASVUJN-UZLBHIALSA-N 2 1 336.483 3.212 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000631193816 461633055 /nfs/dbraw/zinc/63/30/55/461633055.db2.gz GEFOVVGAASVUJN-UZLBHIALSA-N 2 1 336.483 3.212 20 0 EGADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638873982 461633832 /nfs/dbraw/zinc/63/38/32/461633832.db2.gz OJZUWINAEFDBHG-QFUCXCTJSA-N 2 1 327.516 3.286 20 0 EGADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638873982 461633842 /nfs/dbraw/zinc/63/38/42/461633842.db2.gz OJZUWINAEFDBHG-QFUCXCTJSA-N 2 1 327.516 3.286 20 0 EGADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638873982 461633852 /nfs/dbraw/zinc/63/38/52/461633852.db2.gz OJZUWINAEFDBHG-QFUCXCTJSA-N 2 1 327.516 3.286 20 0 EGADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469958 461660355 /nfs/dbraw/zinc/66/03/55/461660355.db2.gz RZQXGPYGQXHUQF-FPOVZHCZSA-N 2 1 348.506 3.485 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)[C@@H]2CCC[C@@H]21 ZINC000663476424 461664664 /nfs/dbraw/zinc/66/46/64/461664664.db2.gz ZKGZZTCGWXUSBD-GNBUJSLZSA-N 2 1 336.483 3.322 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)[C@@H]2CCC[C@@H]21 ZINC000663476424 461664671 /nfs/dbraw/zinc/66/46/71/461664671.db2.gz ZKGZZTCGWXUSBD-GNBUJSLZSA-N 2 1 336.483 3.322 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1c[nH+]ccc1N ZINC000643453286 461729748 /nfs/dbraw/zinc/72/97/48/461729748.db2.gz YSHQGUBSYRHMII-KGLIPLIRSA-N 2 1 330.863 3.325 20 0 EGADMP C[N@@H+](CCC[NH3+])Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000647496989 461735182 /nfs/dbraw/zinc/73/51/82/461735182.db2.gz JZRRLRCIPPVARH-UHFFFAOYSA-N 2 1 334.467 3.379 20 0 EGADMP C[C@H](N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000643480203 461741809 /nfs/dbraw/zinc/74/18/09/461741809.db2.gz FTOPEMDQMNLFQY-DARKYYSBSA-N 2 1 327.516 3.017 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC[C@@H]4CCCC[NH2+]4)[C@@H]3C2)cc1 ZINC000643501647 461746963 /nfs/dbraw/zinc/74/69/63/461746963.db2.gz NCLYCIJPJNEXCO-BURNTYAHSA-N 2 1 327.516 3.019 20 0 EGADMP C[C@@H]([NH3+])C[NH2+][C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000643528521 461754399 /nfs/dbraw/zinc/75/43/99/461754399.db2.gz KMQYUKFBZGWCBM-VXGBXAGGSA-N 2 1 337.261 3.306 20 0 EGADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647542807 461757650 /nfs/dbraw/zinc/75/76/50/461757650.db2.gz CAIOMMZWSAYJIF-RBUKOAKNSA-N 2 1 330.520 3.138 20 0 EGADMP c1cn(-c2csc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2)cn1 ZINC000647544083 461759772 /nfs/dbraw/zinc/75/97/72/461759772.db2.gz WMXCDIFKNMJSFZ-HZPDHXFCSA-N 2 1 330.501 3.145 20 0 EGADMP COc1cc2c(c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c1)O[C@H](C)C2 ZINC000647543680 461760154 /nfs/dbraw/zinc/76/01/54/461760154.db2.gz RBFBKBCUGMWSQA-ZACQAIPSSA-N 2 1 344.499 3.230 20 0 EGADMP Clc1ccc(N2CC[C@@H](C[NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000656493861 461766114 /nfs/dbraw/zinc/76/61/14/461766114.db2.gz JMPCEHYQIWDSOC-HNNXBMFYSA-N 2 1 333.907 3.383 20 0 EGADMP Cc1ccccc1[C@@H](CC(F)(F)F)NC[C@H](O)C[N@H+](C)C(C)C ZINC000660422490 461768856 /nfs/dbraw/zinc/76/88/56/461768856.db2.gz GPXPJNNKYMCQIE-GOEBONIOSA-N 2 1 332.410 3.279 20 0 EGADMP C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000666774147 461796476 /nfs/dbraw/zinc/79/64/76/461796476.db2.gz FYUWYEBIAIFLCI-ZBFHGGJFSA-N 2 1 332.879 3.063 20 0 EGADMP O[C@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639247443 461825614 /nfs/dbraw/zinc/82/56/14/461825614.db2.gz KVJBPRHIKBWBRE-JYRKZWEQSA-N 2 1 328.500 3.495 20 0 EGADMP O[C@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639247443 461825616 /nfs/dbraw/zinc/82/56/16/461825616.db2.gz KVJBPRHIKBWBRE-JYRKZWEQSA-N 2 1 328.500 3.495 20 0 EGADMP C[C@@]1(C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CCC[NH2+]C1 ZINC000666842298 461829133 /nfs/dbraw/zinc/82/91/33/461829133.db2.gz RQOQODCXRGXZGX-GOSISDBHSA-N 2 1 332.879 3.064 20 0 EGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856685 461838550 /nfs/dbraw/zinc/83/85/50/461838550.db2.gz YTIHWGLYIZQXLG-IBGZPJMESA-N 2 1 340.515 3.461 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CCC4CCC4)CC3)C2)cc1 ZINC000660540041 461840605 /nfs/dbraw/zinc/84/06/05/461840605.db2.gz YJORSNRNNKBKQX-OAQYLSRUSA-N 2 1 327.516 3.069 20 0 EGADMP C[N@@H+](CCC[NH3+])CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000647849303 461856973 /nfs/dbraw/zinc/85/69/73/461856973.db2.gz OMPWLSCBULBQGD-UHFFFAOYSA-N 2 1 327.428 3.088 20 0 EGADMP CN(CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)CC(F)F ZINC000639356040 461879155 /nfs/dbraw/zinc/87/91/55/461879155.db2.gz FLEUROHWHHQHLW-SJLPKXTDSA-N 2 1 337.458 3.141 20 0 EGADMP CN(CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)CC(F)F ZINC000639356040 461879167 /nfs/dbraw/zinc/87/91/67/461879167.db2.gz FLEUROHWHHQHLW-SJLPKXTDSA-N 2 1 337.458 3.141 20 0 EGADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000647936648 461894548 /nfs/dbraw/zinc/89/45/48/461894548.db2.gz JDBNPGPQANQPTD-DOMZBBRYSA-N 2 1 343.393 3.093 20 0 EGADMP C[N@H+]1CCC[C@@]2(CCN(CCSc3ccc(F)cc3F)C2)C1 ZINC000660641812 461897943 /nfs/dbraw/zinc/89/79/43/461897943.db2.gz KAOOIZMFFPPECT-QGZVFWFLSA-N 2 1 326.456 3.475 20 0 EGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650706497 461899059 /nfs/dbraw/zinc/89/90/59/461899059.db2.gz LXNLPYAVHSQWGK-BJLQDIEVSA-N 2 1 332.488 3.192 20 0 EGADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650706754 461899249 /nfs/dbraw/zinc/89/92/49/461899249.db2.gz RTNAIRJDAGSAOH-NLWGTHIKSA-N 2 1 332.488 3.192 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3F)C2)C1 ZINC000650707665 461901135 /nfs/dbraw/zinc/90/11/35/461901135.db2.gz KLHXRKLCCHQPKU-VMGRFDJRSA-N 2 1 326.843 3.197 20 0 EGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1cccc(Cl)c1)C2 ZINC000660655465 461907450 /nfs/dbraw/zinc/90/74/50/461907450.db2.gz NMLMFNSHDSWPIE-GOSISDBHSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)Nc1cccc(Cl)c1)C2 ZINC000660655465 461907457 /nfs/dbraw/zinc/90/74/57/461907457.db2.gz NMLMFNSHDSWPIE-GOSISDBHSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)Nc1cccc(Cl)c1)C2 ZINC000660655465 461907460 /nfs/dbraw/zinc/90/74/60/461907460.db2.gz NMLMFNSHDSWPIE-GOSISDBHSA-N 2 1 335.879 3.086 20 0 EGADMP C[C@H]1C[C@H](NCc2ccc(C[NH3+])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000650718139 461910003 /nfs/dbraw/zinc/91/00/03/461910003.db2.gz ZMHVQFDVJNGWQS-OXJNMPFZSA-N 3 1 341.474 3.427 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)CCN1Cc1ccccc1 ZINC000650718139 461910006 /nfs/dbraw/zinc/91/00/06/461910006.db2.gz ZMHVQFDVJNGWQS-OXJNMPFZSA-N 3 1 341.474 3.427 20 0 EGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000647965112 461910214 /nfs/dbraw/zinc/91/02/14/461910214.db2.gz HEPOCSUPUSGJFD-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000647965112 461910219 /nfs/dbraw/zinc/91/02/19/461910219.db2.gz HEPOCSUPUSGJFD-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000647965112 461910226 /nfs/dbraw/zinc/91/02/26/461910226.db2.gz HEPOCSUPUSGJFD-MSOLQXFVSA-N 2 1 337.552 3.077 20 0 EGADMP COc1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650722233 461914513 /nfs/dbraw/zinc/91/45/13/461914513.db2.gz NRTPMRGUXRYASW-LZLYRXPVSA-N 2 1 338.879 3.209 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000647974982 461917631 /nfs/dbraw/zinc/91/76/31/461917631.db2.gz FBOKLYVKQPTYMK-HOTGVXAUSA-N 2 1 349.906 3.299 20 0 EGADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000647974982 461917635 /nfs/dbraw/zinc/91/76/35/461917635.db2.gz FBOKLYVKQPTYMK-HOTGVXAUSA-N 2 1 349.906 3.299 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650752864 461935534 /nfs/dbraw/zinc/93/55/34/461935534.db2.gz BXWQNGLCXDROII-GFCCVEGCSA-N 2 1 345.418 3.102 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCC2CC[NH2+]CC2)C3)cc1 ZINC000650763221 461942115 /nfs/dbraw/zinc/94/21/15/461942115.db2.gz UYEOEXPEDJRWRD-MZADTFQBSA-N 3 1 327.516 3.161 20 0 EGADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCC2CC[NH2+]CC2)C3)cc1 ZINC000650763221 461942122 /nfs/dbraw/zinc/94/21/22/461942122.db2.gz UYEOEXPEDJRWRD-MZADTFQBSA-N 2 1 327.516 3.161 20 0 EGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182693 461983648 /nfs/dbraw/zinc/98/36/48/461983648.db2.gz LVPCKZVBABFSJX-PMACEKPBSA-N 2 1 329.532 3.361 20 0 EGADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CCc2cnccn2)CC3)cc1 ZINC000639552584 461985101 /nfs/dbraw/zinc/98/51/01/461985101.db2.gz BSYNYCCGZXTEGX-UHFFFAOYSA-N 2 1 336.483 3.007 20 0 EGADMP Cc1c(Br)cncc1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000657294897 462023192 /nfs/dbraw/zinc/02/31/92/462023192.db2.gz WNASMQHBMCHCCX-UHFFFAOYSA-N 2 1 340.309 3.364 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)c1 ZINC000657347548 462063196 /nfs/dbraw/zinc/06/31/96/462063196.db2.gz BKNKHIGYVTYMNT-UHFFFAOYSA-N 2 1 340.393 3.180 20 0 EGADMP CCOc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000657366663 462075409 /nfs/dbraw/zinc/07/54/09/462075409.db2.gz JEOIHAPJHHUZIX-HDICACEKSA-N 2 1 334.504 3.373 20 0 EGADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000651130775 462099121 /nfs/dbraw/zinc/09/91/21/462099121.db2.gz MZBHOOXAPKWODP-GCJKJVERSA-N 2 1 338.495 3.405 20 0 EGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000667493906 462109962 /nfs/dbraw/zinc/10/99/62/462109962.db2.gz HBWYTHHTGWUQPR-HXUWFJFHSA-N 2 1 332.488 3.159 20 0 EGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000667493906 462109969 /nfs/dbraw/zinc/10/99/69/462109969.db2.gz HBWYTHHTGWUQPR-HXUWFJFHSA-N 2 1 332.488 3.159 20 0 EGADMP Cc1cccc2[nH]c(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)cc21 ZINC000657433435 462120294 /nfs/dbraw/zinc/12/02/94/462120294.db2.gz XCBJYCMXFCUIOW-FQEVSTJZSA-N 2 1 349.478 3.333 20 0 EGADMP CCc1noc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000645007732 462157767 /nfs/dbraw/zinc/15/77/67/462157767.db2.gz RIOFZPYWBLOANP-UHFFFAOYSA-N 2 1 340.471 3.120 20 0 EGADMP CCc1noc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000645007732 462157774 /nfs/dbraw/zinc/15/77/74/462157774.db2.gz RIOFZPYWBLOANP-UHFFFAOYSA-N 2 1 340.471 3.120 20 0 EGADMP COc1ccc(C[C@@H]2CCC[N@@H+](Cc3cnc4n3CCC4)C2)cc1 ZINC000667621019 462177409 /nfs/dbraw/zinc/17/74/09/462177409.db2.gz XKUNLDHBGVMVAQ-KRWDZBQOSA-N 2 1 325.456 3.293 20 0 EGADMP CN(Cc1c(C2CC2)cnn1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667620894 462177616 /nfs/dbraw/zinc/17/76/16/462177616.db2.gz UCHRQOQYRWXFGZ-GOSISDBHSA-N 2 1 338.499 3.251 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@@H](C)COC)cc2)C[C@@H]1C ZINC000667664558 462198574 /nfs/dbraw/zinc/19/85/74/462198574.db2.gz NUPSWQGSNFIXDA-LNLFQRSKSA-N 2 1 334.504 3.405 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(O[C@@H](C)COC)cc2)C[C@@H]1C ZINC000667664558 462198579 /nfs/dbraw/zinc/19/85/79/462198579.db2.gz NUPSWQGSNFIXDA-LNLFQRSKSA-N 2 1 334.504 3.405 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(O[C@@H](C)COC)cc2)C[C@@H]1C ZINC000667664558 462198587 /nfs/dbraw/zinc/19/85/87/462198587.db2.gz NUPSWQGSNFIXDA-LNLFQRSKSA-N 2 1 334.504 3.405 20 0 EGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000667676921 462209286 /nfs/dbraw/zinc/20/92/86/462209286.db2.gz CJEYGLNCLBOAGE-IEBWSBKVSA-N 2 1 334.504 3.264 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000667676921 462209289 /nfs/dbraw/zinc/20/92/89/462209289.db2.gz CJEYGLNCLBOAGE-IEBWSBKVSA-N 2 1 334.504 3.264 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000667676921 462209292 /nfs/dbraw/zinc/20/92/92/462209292.db2.gz CJEYGLNCLBOAGE-IEBWSBKVSA-N 2 1 334.504 3.264 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000667676921 462209296 /nfs/dbraw/zinc/20/92/96/462209296.db2.gz CJEYGLNCLBOAGE-IEBWSBKVSA-N 2 1 334.504 3.264 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667731259 462235755 /nfs/dbraw/zinc/23/57/55/462235755.db2.gz OPWNHNUDBWHNDE-DNVCBOLYSA-N 2 1 338.455 3.102 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667731590 462236006 /nfs/dbraw/zinc/23/60/06/462236006.db2.gz XXTKVRMAAXZHSN-UHFFFAOYSA-N 2 1 332.492 3.121 20 0 EGADMP COCCc1ccc(OC[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000667853918 462295607 /nfs/dbraw/zinc/29/56/07/462295607.db2.gz SVMUHJTYIRRYPR-ICSRJNTNSA-N 2 1 348.531 3.353 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc3c(c2)CCCC3)CC1 ZINC000657849376 462296175 /nfs/dbraw/zinc/29/61/75/462296175.db2.gz JAKSJOSMPSPOCK-KRWDZBQOSA-N 2 1 330.516 3.197 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(OCC)CC2)[C@@H](C)C1 ZINC000657884203 462307312 /nfs/dbraw/zinc/30/73/12/462307312.db2.gz MXNRTSRRKAFAEJ-MKCYZYCBSA-N 2 1 326.525 3.061 20 0 EGADMP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000657883483 462307725 /nfs/dbraw/zinc/30/77/25/462307725.db2.gz SSXCUGBUIXRQCC-QGZVFWFLSA-N 2 1 330.516 3.197 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnnn2-c2ccccc2)c1 ZINC000651706272 462310125 /nfs/dbraw/zinc/31/01/25/462310125.db2.gz ZONNHYIHRHKUMX-UHFFFAOYSA-N 2 1 335.455 3.009 20 0 EGADMP CCOC1CCC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000657970239 462332931 /nfs/dbraw/zinc/33/29/31/462332931.db2.gz ZPLZPNGDBXNOGB-NYLDSWQDSA-N 2 1 346.515 3.081 20 0 EGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657992318 462340286 /nfs/dbraw/zinc/34/02/86/462340286.db2.gz GWSWGRMFQKSXMN-UONOGXRCSA-N 2 1 327.419 3.171 20 0 EGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657992318 462340289 /nfs/dbraw/zinc/34/02/89/462340289.db2.gz GWSWGRMFQKSXMN-UONOGXRCSA-N 2 1 327.419 3.171 20 0 EGADMP CCCN(C(=O)c1ccc(C[NH+](CC)CC)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000648996088 462361868 /nfs/dbraw/zinc/36/18/68/462361868.db2.gz MEEAUBPKIVHMQD-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP CC[N@@H+](CCCNCc1ccc(C(=O)NC)cc1)C1CCCCC1 ZINC000651909653 462376539 /nfs/dbraw/zinc/37/65/39/462376539.db2.gz RYRHMKMGTXXQSS-UHFFFAOYSA-N 2 1 331.504 3.181 20 0 EGADMP CC[N@H+](CCC[NH2+]Cc1ccc(C(=O)NC)cc1)C1CCCCC1 ZINC000651909653 462376543 /nfs/dbraw/zinc/37/65/43/462376543.db2.gz RYRHMKMGTXXQSS-UHFFFAOYSA-N 2 1 331.504 3.181 20 0 EGADMP CC[N@@H+](CCC[NH2+]Cc1ccc(C(=O)NC)cc1)C1CCCCC1 ZINC000651909653 462376549 /nfs/dbraw/zinc/37/65/49/462376549.db2.gz RYRHMKMGTXXQSS-UHFFFAOYSA-N 2 1 331.504 3.181 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000665299005 462390508 /nfs/dbraw/zinc/39/05/08/462390508.db2.gz DUVBUMFAXGRTLF-BEFAXECRSA-N 2 1 347.466 3.373 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C1(CO)CC1 ZINC000658154239 462408787 /nfs/dbraw/zinc/40/87/87/462408787.db2.gz KHEHFAYZUNIVRG-NBYUQASBSA-N 2 1 328.500 3.180 20 0 EGADMP COc1ccc(C)cc1NC(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531221 462430719 /nfs/dbraw/zinc/43/07/19/462430719.db2.gz MHYJZKFXIHUNFV-UHFFFAOYSA-N 2 1 347.503 3.140 20 0 EGADMP COc1ccc(C)cc1NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531221 462430723 /nfs/dbraw/zinc/43/07/23/462430723.db2.gz MHYJZKFXIHUNFV-UHFFFAOYSA-N 2 1 347.503 3.140 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1)C(C)C ZINC000649370707 462490310 /nfs/dbraw/zinc/49/03/10/462490310.db2.gz VPJFECQSHZPOMZ-IBGZPJMESA-N 2 1 343.515 3.321 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CC[N@@H+]1C ZINC000166154517 533944028 /nfs/dbraw/zinc/94/40/28/533944028.db2.gz WKLDNKMAEKGVAZ-RHSMWYFYSA-N 2 1 337.458 3.002 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CC[N@H+]1C ZINC000166154517 533944041 /nfs/dbraw/zinc/94/40/41/533944041.db2.gz WKLDNKMAEKGVAZ-RHSMWYFYSA-N 2 1 337.458 3.002 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)o2)cc1 ZINC000132349415 533946732 /nfs/dbraw/zinc/94/67/32/533946732.db2.gz FVTMPTGXLBCDTH-OAHLLOKOSA-N 2 1 342.439 3.117 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)o2)cc1 ZINC000132349415 533946743 /nfs/dbraw/zinc/94/67/43/533946743.db2.gz FVTMPTGXLBCDTH-OAHLLOKOSA-N 2 1 342.439 3.117 20 0 EGADMP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H]2CCCO[C@@H]21 ZINC000181681809 527870262 /nfs/dbraw/zinc/87/02/62/527870262.db2.gz GGFRYUYCONUYQQ-BQJUDKOJSA-N 2 1 342.527 3.344 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2cccc(C)c2)[C@H](C)C1 ZINC000178706687 528667903 /nfs/dbraw/zinc/66/79/03/528667903.db2.gz LRSAFFAMMSSSHL-QUCCMNQESA-N 2 1 334.504 3.100 20 0 EGADMP CCC[C@@H](NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000174294944 528989102 /nfs/dbraw/zinc/98/91/02/528989102.db2.gz FQWRUFSASWIDKI-FXAWDEMLSA-N 2 1 345.531 3.495 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000173694443 529000119 /nfs/dbraw/zinc/00/01/19/529000119.db2.gz NQVZXKSSKWZGFO-FQEVSTJZSA-N 2 1 343.515 3.030 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3ccc(C)cc32)CC1 ZINC000166147057 529143471 /nfs/dbraw/zinc/14/34/71/529143471.db2.gz KXOVCTBQBGGOAA-OAQYLSRUSA-N 2 1 329.532 3.380 20 0 EGADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(F)ccc2F)CC1 ZINC000154458536 529143526 /nfs/dbraw/zinc/14/35/26/529143526.db2.gz VYVIHCKOTQFBEJ-OAHLLOKOSA-N 2 1 325.447 3.033 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000154466585 529143728 /nfs/dbraw/zinc/14/37/28/529143728.db2.gz NQHAGGFGCLRXHZ-LJQANCHMSA-N 2 1 349.494 3.047 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1)C1CC1 ZINC000338013258 535782751 /nfs/dbraw/zinc/78/27/51/535782751.db2.gz AXBWMVADQKTFLA-UHFFFAOYSA-N 2 1 343.515 3.277 20 0 EGADMP CCCO[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000093316786 546682928 /nfs/dbraw/zinc/68/29/28/546682928.db2.gz DPMOHXXJOZSQMP-LJQANCHMSA-N 2 1 334.504 3.408 20 0 EGADMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000131540474 546806061 /nfs/dbraw/zinc/80/60/61/546806061.db2.gz RNRMZQYJEXNTGA-QGZVFWFLSA-N 2 1 338.904 3.471 20 0 EGADMP Cc1cc(C)cc(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134924610 546830866 /nfs/dbraw/zinc/83/08/66/546830866.db2.gz XNXJQVKCOYGOBY-YLJYHZDGSA-N 2 1 341.499 3.191 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)CC1 ZINC000155417843 546901830 /nfs/dbraw/zinc/90/18/30/546901830.db2.gz HMQWLRSZNAUIOS-KDOFPFPSSA-N 2 1 345.487 3.321 20 0 EGADMP CC[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000166068444 546988595 /nfs/dbraw/zinc/98/85/95/546988595.db2.gz KCPHHZIOAYEMSC-PWRODBHTSA-N 2 1 327.516 3.040 20 0 EGADMP CC[C@H](CN[C@H]1CC[NH+]2CCC[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000166068444 546988600 /nfs/dbraw/zinc/98/86/00/546988600.db2.gz KCPHHZIOAYEMSC-PWRODBHTSA-N 2 1 327.516 3.040 20 0 EGADMP CC[C@H](CN[C@H]1CC[NH+]2CCC[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000166068444 546988605 /nfs/dbraw/zinc/98/86/05/546988605.db2.gz KCPHHZIOAYEMSC-PWRODBHTSA-N 2 1 327.516 3.040 20 0 EGADMP Cc1ccc(-c2nc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)co2)cc1 ZINC000166441970 546990332 /nfs/dbraw/zinc/99/03/32/546990332.db2.gz UEHGSWYOYOJNIB-PKOBYXMFSA-N 2 1 325.456 3.409 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000297301151 547438241 /nfs/dbraw/zinc/43/82/41/547438241.db2.gz ABSQASHQTUCGCE-UHFFFAOYSA-N 2 1 336.277 3.336 20 0 EGADMP CCCn1nccc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310207587 547461023 /nfs/dbraw/zinc/46/10/23/547461023.db2.gz DGHCQFSXVZMOMH-MJGOQNOKSA-N 2 1 326.488 3.293 20 0 EGADMP CCCn1nccc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310207587 547461028 /nfs/dbraw/zinc/46/10/28/547461028.db2.gz DGHCQFSXVZMOMH-MJGOQNOKSA-N 2 1 326.488 3.293 20 0 EGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000385723550 547822635 /nfs/dbraw/zinc/82/26/35/547822635.db2.gz JMSHXLUYZJPBDC-NHCUHLMSSA-N 2 1 340.515 3.410 20 0 EGADMP CCCn1nccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398046556 547835176 /nfs/dbraw/zinc/83/51/76/547835176.db2.gz WAFOTFYVLLVWNY-FXAWDEMLSA-N 2 1 326.488 3.293 20 0 EGADMP CCCn1nccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398046556 547835179 /nfs/dbraw/zinc/83/51/79/547835179.db2.gz WAFOTFYVLLVWNY-FXAWDEMLSA-N 2 1 326.488 3.293 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCOC2CCCCCC2)C1 ZINC000472276970 547952338 /nfs/dbraw/zinc/95/23/38/547952338.db2.gz OPDVZRLPAGGMRA-IBGZPJMESA-N 2 1 326.525 3.159 20 0 EGADMP CC[C@]1(C)COCC[N@H+]1CCCCC[NH+]1CCOC[C@]1(C)CC ZINC000535568236 548054140 /nfs/dbraw/zinc/05/41/40/548054140.db2.gz ZHYQKJSPJJTDHB-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP CC[C@]1(C)COCC[NH+]1CCCCC[N@@H+]1CCOC[C@]1(C)CC ZINC000535568236 548054146 /nfs/dbraw/zinc/05/41/46/548054146.db2.gz ZHYQKJSPJJTDHB-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP CC[C@]1(C)COCC[NH+]1CCCCC[N@H+]1CCOC[C@]1(C)CC ZINC000535568236 548054150 /nfs/dbraw/zinc/05/41/50/548054150.db2.gz ZHYQKJSPJJTDHB-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP C[C@@H](C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)C(C)(C)C ZINC000670263760 548192824 /nfs/dbraw/zinc/19/28/24/548192824.db2.gz VFZYPXFWJBKACN-IBGZPJMESA-N 2 1 331.548 3.418 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N(C)C)nc1 ZINC000675743439 548973022 /nfs/dbraw/zinc/97/30/22/548973022.db2.gz KCNSXPPWWOPYNF-XLIONFOSSA-N 2 1 338.499 3.148 20 0 EGADMP CC[N@@H+](CCCC1CC[NH+]([C@H]2CCCOC2)CC1)[C@H]1CCCOC1 ZINC000677992657 549371818 /nfs/dbraw/zinc/37/18/18/549371818.db2.gz NYQFWPWZAQDZSR-PMACEKPBSA-N 2 1 338.536 3.159 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C)S1 ZINC000678216039 549427663 /nfs/dbraw/zinc/42/76/63/549427663.db2.gz AZIZSQXGSMKBCO-CALCHBBNSA-N 2 1 334.529 3.487 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCO1 ZINC000678271988 549453433 /nfs/dbraw/zinc/45/34/33/549453433.db2.gz WYCDNCANZCHXFU-UHFFFAOYSA-N 2 1 332.488 3.162 20 0 EGADMP C[C@@H]([NH2+]CCc1ccc(CO)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679625915 549742607 /nfs/dbraw/zinc/74/26/07/549742607.db2.gz HJSOYRRAMTYSST-GCJKJVERSA-N 2 1 338.495 3.222 20 0 EGADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000679839422 549779414 /nfs/dbraw/zinc/77/94/14/549779414.db2.gz XKLFFPGYDIJCEO-CWJKEVGVSA-N 2 1 338.499 3.162 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000681250281 549972892 /nfs/dbraw/zinc/97/28/92/549972892.db2.gz CIOQMVYVUOPEBB-HKUYNNGSSA-N 2 1 345.531 3.182 20 0 EGADMP COc1cc(C)c([C@@H](C)[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1C ZINC000682071518 550068656 /nfs/dbraw/zinc/06/86/56/550068656.db2.gz OWCMNJQVAVAXMN-MOPGFXCFSA-N 2 1 345.531 3.085 20 0 EGADMP CO[C@]1(C)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000684411084 550326847 /nfs/dbraw/zinc/32/68/47/550326847.db2.gz FRQQDLLFOZYMND-HXUWFJFHSA-N 2 1 332.488 3.162 20 0 EGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(Br)cn1 ZINC000684550989 550341484 /nfs/dbraw/zinc/34/14/84/550341484.db2.gz OMWNEXXMUALJHI-QWHCGFSZSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000684557553 550342952 /nfs/dbraw/zinc/34/29/52/550342952.db2.gz WTGYUFCBQHKPQT-LELZANKISA-N 2 1 328.500 3.302 20 0 EGADMP Oc1cccc2c(NCC[N@H+]3CCc4sccc4C3)cc[nH+]c12 ZINC000684570804 550344074 /nfs/dbraw/zinc/34/40/74/550344074.db2.gz ZVZCXUSDYINRKN-UHFFFAOYSA-N 2 1 325.437 3.472 20 0 EGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCc4cccnc43)CC2)nc(C)[nH+]1 ZINC000684956901 550388210 /nfs/dbraw/zinc/38/82/10/550388210.db2.gz CXMZKEIWHGBERZ-GOSISDBHSA-N 2 1 337.471 3.124 20 0 EGADMP C[N@@H+](Cc1cc(F)cc(Cl)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457247 550418794 /nfs/dbraw/zinc/41/87/94/550418794.db2.gz OJZGWIPJXLTPRE-SFHVURJKSA-N 2 1 339.886 3.079 20 0 EGADMP CCCOc1cccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000685457223 550419204 /nfs/dbraw/zinc/41/92/04/550419204.db2.gz LYRSJKGURPWKAO-HXUWFJFHSA-N 2 1 345.531 3.076 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000685850670 550448244 /nfs/dbraw/zinc/44/82/44/550448244.db2.gz CVOVWRCELWQDMK-PMACEKPBSA-N 2 1 344.499 3.161 20 0 EGADMP CCCCCC[C@H](C)NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000729582581 574871744 /nfs/dbraw/zinc/87/17/44/574871744.db2.gz IVBXGKIRSKMOEO-KRWDZBQOSA-N 2 1 340.556 3.013 20 0 EGADMP CCCCCC[C@H](C)NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000729582581 574871746 /nfs/dbraw/zinc/87/17/46/574871746.db2.gz IVBXGKIRSKMOEO-KRWDZBQOSA-N 2 1 340.556 3.013 20 0 EGADMP COc1ccc(CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC(C)(C)C)cc1 ZINC000734639386 575535687 /nfs/dbraw/zinc/53/56/87/575535687.db2.gz LYRPPHIAFWCTLY-IBGZPJMESA-N 2 1 348.531 3.043 20 0 EGADMP COc1ccc(CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CC(C)(C)C)cc1 ZINC000734639386 575535688 /nfs/dbraw/zinc/53/56/88/575535688.db2.gz LYRPPHIAFWCTLY-IBGZPJMESA-N 2 1 348.531 3.043 20 0 EGADMP C[N@H+](C[C@@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000741252588 576668897 /nfs/dbraw/zinc/66/88/97/576668897.db2.gz RBFJPDYQMVVVJL-CZUORRHYSA-N 2 1 330.394 3.012 20 0 EGADMP C[N@@H+](C[C@@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000741252588 576668899 /nfs/dbraw/zinc/66/88/99/576668899.db2.gz RBFJPDYQMVVVJL-CZUORRHYSA-N 2 1 330.394 3.012 20 0 EGADMP C[NH+](C[C@@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000741252588 576668901 /nfs/dbraw/zinc/66/89/01/576668901.db2.gz RBFJPDYQMVVVJL-CZUORRHYSA-N 2 1 330.394 3.012 20 0 EGADMP C[NH+](C[C@@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000741252588 576668902 /nfs/dbraw/zinc/66/89/02/576668902.db2.gz RBFJPDYQMVVVJL-CZUORRHYSA-N 2 1 330.394 3.012 20 0 EGADMP CC(C)N(CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000698101398 1298166857 /nfs/dbraw/zinc/16/68/57/1298166857.db2.gz XUMPNYZPONHSJC-SJORKVTESA-N 2 1 339.524 3.238 20 0 EGADMP CC[NH+]1CCN(c2ccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2F)CC1 ZINC000877767459 1299544260 /nfs/dbraw/zinc/54/42/60/1299544260.db2.gz KFCCWKSWEKNJTK-MSOLQXFVSA-N 2 1 346.494 3.006 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000069160415 1292232452 /nfs/dbraw/zinc/23/24/52/1292232452.db2.gz XAKBQHDLWLFUPU-CYBMUJFWSA-N 2 1 326.868 3.179 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000069160415 1292232462 /nfs/dbraw/zinc/23/24/62/1292232462.db2.gz XAKBQHDLWLFUPU-CYBMUJFWSA-N 2 1 326.868 3.179 20 0 EGADMP Cc1ccc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000069171266 1292234630 /nfs/dbraw/zinc/23/46/30/1292234630.db2.gz HFBIOJDOJZGGPN-LJQANCHMSA-N 2 1 329.513 3.135 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CC2(Cl)Cl)[C@H](C)C1 ZINC000828936822 1292519579 /nfs/dbraw/zinc/51/95/79/1292519579.db2.gz VDCHCTHHFHAPED-ILXRZTDVSA-N 2 1 337.335 3.297 20 0 EGADMP C[C@H]1C[C@H](N(C)C(=O)CC[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000830136068 1292672153 /nfs/dbraw/zinc/67/21/53/1292672153.db2.gz PEVFJXIDGONNMR-YSIASYRMSA-N 2 1 343.515 3.030 20 0 EGADMP CCc1ncc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)s1 ZINC000084017491 1292695698 /nfs/dbraw/zinc/69/56/98/1292695698.db2.gz PTKPTTNAYDMMTG-OAHLLOKOSA-N 2 1 345.512 3.216 20 0 EGADMP CCc1ncc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)s1 ZINC000084017491 1292695708 /nfs/dbraw/zinc/69/57/08/1292695708.db2.gz PTKPTTNAYDMMTG-OAHLLOKOSA-N 2 1 345.512 3.216 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1F ZINC000086238424 1292731001 /nfs/dbraw/zinc/73/10/01/1292731001.db2.gz NZTPUOPEJZVNBP-MRXNPFEDSA-N 2 1 347.478 3.480 20 0 EGADMP CC(C)c1noc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000089578584 1292772031 /nfs/dbraw/zinc/77/20/31/1292772031.db2.gz GDVAPQLNPKOFQJ-FUHWJXTLSA-N 2 1 342.487 3.378 20 0 EGADMP CC(C)c1noc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000089578584 1292772038 /nfs/dbraw/zinc/77/20/38/1292772038.db2.gz GDVAPQLNPKOFQJ-FUHWJXTLSA-N 2 1 342.487 3.378 20 0 EGADMP COC1([C@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000834789564 1293149040 /nfs/dbraw/zinc/14/90/40/1293149040.db2.gz DBKDNZUWSOAUPJ-AZUAARDMSA-N 2 1 346.515 3.072 20 0 EGADMP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000835063386 1293196481 /nfs/dbraw/zinc/19/64/81/1293196481.db2.gz KSGZRAIPBIFLJD-UHFFFAOYSA-N 2 1 347.894 3.193 20 0 EGADMP Cn1nc(-c2ccccc2)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1Cl ZINC000116334442 1293202963 /nfs/dbraw/zinc/20/29/63/1293202963.db2.gz VTGOHARVBLOECC-CQSZACIVSA-N 2 1 344.890 3.314 20 0 EGADMP Cn1nc(-c2ccccc2)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1Cl ZINC000116334442 1293202969 /nfs/dbraw/zinc/20/29/69/1293202969.db2.gz VTGOHARVBLOECC-CQSZACIVSA-N 2 1 344.890 3.314 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000120804768 1293339994 /nfs/dbraw/zinc/33/99/94/1293339994.db2.gz MZMALKWVBYPWAF-KRWDZBQOSA-N 2 1 344.478 3.469 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000120804768 1293340003 /nfs/dbraw/zinc/34/00/03/1293340003.db2.gz MZMALKWVBYPWAF-KRWDZBQOSA-N 2 1 344.478 3.469 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000121824314 1293391435 /nfs/dbraw/zinc/39/14/35/1293391435.db2.gz VABGVPBNZDOGBV-GJZGRUSLSA-N 2 1 336.476 3.095 20 0 EGADMP CC(C)CC[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)(C)C ZINC000134330073 1293771314 /nfs/dbraw/zinc/77/13/14/1293771314.db2.gz RFVITVFXSJVKMI-SFHVURJKSA-N 2 1 347.551 3.169 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000158206661 1294198734 /nfs/dbraw/zinc/19/87/34/1294198734.db2.gz DIHJMLDMVZSLIG-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000173962278 1294474756 /nfs/dbraw/zinc/47/47/56/1294474756.db2.gz OODFLQNIKBMOAS-HXUWFJFHSA-N 2 1 343.515 3.229 20 0 EGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000173962278 1294474757 /nfs/dbraw/zinc/47/47/57/1294474757.db2.gz OODFLQNIKBMOAS-HXUWFJFHSA-N 2 1 343.515 3.229 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000173962278 1294474761 /nfs/dbraw/zinc/47/47/61/1294474761.db2.gz OODFLQNIKBMOAS-HXUWFJFHSA-N 2 1 343.515 3.229 20 0 EGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000173962278 1294474763 /nfs/dbraw/zinc/47/47/63/1294474763.db2.gz OODFLQNIKBMOAS-HXUWFJFHSA-N 2 1 343.515 3.229 20 0 EGADMP CCCCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1(C)C ZINC000181851791 1294996555 /nfs/dbraw/zinc/99/65/55/1294996555.db2.gz XLYKKBJCLIFSMM-RBUKOAKNSA-N 2 1 340.552 3.449 20 0 EGADMP CCC1(CC)[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C[C@H]1OC ZINC000181851897 1294996802 /nfs/dbraw/zinc/99/68/02/1294996802.db2.gz RSVZTVUCKVPWIA-QZTJIDSGSA-N 2 1 326.525 3.059 20 0 EGADMP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1O ZINC000187187690 1295374667 /nfs/dbraw/zinc/37/46/67/1295374667.db2.gz UIVCZWKBHHHJQK-CHWSQXEVSA-N 2 1 341.293 3.456 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000870121990 1295675010 /nfs/dbraw/zinc/67/50/10/1295675010.db2.gz UNUGFHBEQUDFDT-GOSISDBHSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H]1CCC[C@](C[NH2+]CCCNC(=O)OC(C)(C)C)([NH+](C)C)C1 ZINC000227409842 1296143318 /nfs/dbraw/zinc/14/33/18/1296143318.db2.gz HSUNZOJXPPRKBC-QAPCUYQASA-N 2 1 327.513 3.001 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000237157942 1296222836 /nfs/dbraw/zinc/22/28/36/1296222836.db2.gz NQQYMPFRNLXPRW-UHFFFAOYSA-N 2 1 344.330 3.357 20 0 EGADMP C[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CCC1(C)C ZINC000871157245 1296246497 /nfs/dbraw/zinc/24/64/97/1296246497.db2.gz IOLNDFVBXLMIMK-UHFFFAOYSA-N 2 1 343.515 3.229 20 0 EGADMP C[C@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C[NH+]1CCCCC1 ZINC000237572304 1296250004 /nfs/dbraw/zinc/25/00/04/1296250004.db2.gz GQGSGAKCDGHGIZ-CQSZACIVSA-N 2 1 338.879 3.323 20 0 EGADMP CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247003592 1296379950 /nfs/dbraw/zinc/37/99/50/1296379950.db2.gz JYYALEWMALVCTB-ZACQAIPSSA-N 2 1 341.540 3.390 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000261592152 1296593019 /nfs/dbraw/zinc/59/30/19/1296593019.db2.gz YJBFSPFXTZWUQS-GXRSIYKFSA-N 3 1 341.543 3.409 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000261592152 1296593026 /nfs/dbraw/zinc/59/30/26/1296593026.db2.gz YJBFSPFXTZWUQS-GXRSIYKFSA-N 2 1 341.543 3.409 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000261592152 1296593036 /nfs/dbraw/zinc/59/30/36/1296593036.db2.gz YJBFSPFXTZWUQS-GXRSIYKFSA-N 2 1 341.543 3.409 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000261592153 1296594430 /nfs/dbraw/zinc/59/44/30/1296594430.db2.gz YJBFSPFXTZWUQS-YUMYIRISSA-N 3 1 341.543 3.409 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000261592153 1296594437 /nfs/dbraw/zinc/59/44/37/1296594437.db2.gz YJBFSPFXTZWUQS-YUMYIRISSA-N 2 1 341.543 3.409 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000261592153 1296594445 /nfs/dbraw/zinc/59/44/45/1296594445.db2.gz YJBFSPFXTZWUQS-YUMYIRISSA-N 2 1 341.543 3.409 20 0 EGADMP FC(F)(F)COc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000261954817 1296610705 /nfs/dbraw/zinc/61/07/05/1296610705.db2.gz GMYDQMDRXAXRJF-UHFFFAOYSA-N 2 1 328.378 3.203 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCCc3cc(OC)c(OC)cc32)C1 ZINC000872025255 1296668986 /nfs/dbraw/zinc/66/89/86/1296668986.db2.gz JEXRTODXQZWVDX-MAUKXSAKSA-N 2 1 332.488 3.403 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000310016429 1297082859 /nfs/dbraw/zinc/08/28/59/1297082859.db2.gz RTZXSUKIEZRUQW-HZMVEIRTSA-N 2 1 337.508 3.039 20 0 EGADMP c1ccc(C(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc2)cc1 ZINC000327841595 1297251750 /nfs/dbraw/zinc/25/17/50/1297251750.db2.gz RJAFJIUSBGXVRW-NHCUHLMSSA-N 2 1 336.479 3.271 20 0 EGADMP c1ccc(C(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccccc2)cc1 ZINC000327841595 1297251761 /nfs/dbraw/zinc/25/17/61/1297251761.db2.gz RJAFJIUSBGXVRW-NHCUHLMSSA-N 2 1 336.479 3.271 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2n2cncn2)c1 ZINC000340476305 1297314995 /nfs/dbraw/zinc/31/49/95/1297314995.db2.gz IPHTWASUMLPMAW-AHRSYUTCSA-N 2 1 341.503 3.249 20 0 EGADMP COc1ccc([C@@H]2CC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)cc1 ZINC000873204319 1297351146 /nfs/dbraw/zinc/35/11/46/1297351146.db2.gz BJWKRGANHBUBCJ-OAHLLOKOSA-N 2 1 328.481 3.392 20 0 EGADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000379887875 1297542686 /nfs/dbraw/zinc/54/26/86/1297542686.db2.gz YKFMZVLRQLYVPI-HXUWFJFHSA-N 2 1 328.431 3.113 20 0 EGADMP COC(=O)/C(C)=C/C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000381382640 1297551514 /nfs/dbraw/zinc/55/15/14/1297551514.db2.gz PSSYUZJGWQEBRF-QGMBQPNBSA-N 2 1 342.483 3.094 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000398153048 1297715119 /nfs/dbraw/zinc/71/51/19/1297715119.db2.gz PUVIKBFDCNMNDA-VQIMIIECSA-N 2 1 338.451 3.416 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000398153048 1297715125 /nfs/dbraw/zinc/71/51/25/1297715125.db2.gz PUVIKBFDCNMNDA-VQIMIIECSA-N 2 1 338.451 3.416 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400432559 1297730312 /nfs/dbraw/zinc/73/03/12/1297730312.db2.gz LOAINNZPYLDNNQ-MRXNPFEDSA-N 2 1 341.540 3.342 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)CC[N@H+]1C ZINC000401330818 1297739276 /nfs/dbraw/zinc/73/92/76/1297739276.db2.gz POIVXHNNLZLXII-QAPCUYQASA-N 2 1 347.503 3.284 20 0 EGADMP CC(C)(NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000686818528 1298117451 /nfs/dbraw/zinc/11/74/51/1298117451.db2.gz VFGYZBDDRFXSKN-UHFFFAOYSA-N 2 1 343.515 3.065 20 0 EGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000693861137 1298152913 /nfs/dbraw/zinc/15/29/13/1298152913.db2.gz HSOQHVSNTCHSFL-GVDBMIGSSA-N 2 1 339.524 3.144 20 0 EGADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000699211208 1298169689 /nfs/dbraw/zinc/16/96/89/1298169689.db2.gz QIBIZLBNNYJTEJ-VTHDOGFWSA-N 2 1 327.516 3.113 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(Cl)c1Br ZINC000719460059 1298318322 /nfs/dbraw/zinc/31/83/22/1298318322.db2.gz FGKRHKWNROIZAN-UHFFFAOYSA-N 2 1 328.641 3.397 20 0 EGADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CCCC1 ZINC000724029349 1298346099 /nfs/dbraw/zinc/34/60/99/1298346099.db2.gz PXPXLVZBBVPHPJ-CVEARBPZSA-N 2 1 339.524 3.144 20 0 EGADMP C[C@H]1C[C@H](NCc2ccc(Cl)nn2)CC[N@H+]1Cc1ccccc1 ZINC000877076201 1299147802 /nfs/dbraw/zinc/14/78/02/1299147802.db2.gz NVIUZMGWGMZCFH-GOEBONIOSA-N 2 1 330.863 3.273 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3ccc(-c4ccsc4)n3)C2)CC1 ZINC000755774249 1300395300 /nfs/dbraw/zinc/39/53/00/1300395300.db2.gz GRGARDZNVMNJMK-MRXNPFEDSA-N 2 1 330.501 3.233 20 0 EGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000879208612 1300429667 /nfs/dbraw/zinc/42/96/67/1300429667.db2.gz BUEVUPJZIPRGGF-GOSISDBHSA-N 2 1 336.520 3.055 20 0 EGADMP C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247922 1300453205 /nfs/dbraw/zinc/45/32/05/1300453205.db2.gz HBPZVQJAFBWPDF-OAHLLOKOSA-N 2 1 349.906 3.475 20 0 EGADMP FC[C@H]1CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@H](CF)C3)c2)C1 ZINC000880238081 1300998405 /nfs/dbraw/zinc/99/84/05/1300998405.db2.gz NVNCKMVXJRVUBU-IAGOWNOFSA-N 2 1 337.458 3.445 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2N(C)CC)[C@H](C)C1 ZINC000765851112 1302340268 /nfs/dbraw/zinc/34/02/68/1302340268.db2.gz YEYURVYJGKDVDQ-UYAOXDASSA-N 2 1 347.547 3.369 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1OC ZINC000765974987 1302360320 /nfs/dbraw/zinc/36/03/20/1302360320.db2.gz JWUIIWPOLKNONG-MJGOQNOKSA-N 2 1 332.488 3.379 20 0 EGADMP C[C@@H](CSC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000766134650 1302397390 /nfs/dbraw/zinc/39/73/90/1302397390.db2.gz GNUNWSFMGTWFAW-LPHOPBHVSA-N 2 1 336.545 3.133 20 0 EGADMP C[C@@H](CSC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000766134650 1302397401 /nfs/dbraw/zinc/39/74/01/1302397401.db2.gz GNUNWSFMGTWFAW-LPHOPBHVSA-N 2 1 336.545 3.133 20 0 EGADMP Cc1nc(C)c(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000883427612 1302441249 /nfs/dbraw/zinc/44/12/49/1302441249.db2.gz WZRCFYZOLQMQOB-OALUTQOASA-N 2 1 327.472 3.464 20 0 EGADMP Cc1c(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)sc2nc(C)nc(C)c12 ZINC000768546317 1302932332 /nfs/dbraw/zinc/93/23/32/1302932332.db2.gz JCBFADOBUDHJIZ-OAHLLOKOSA-N 2 1 332.517 3.390 20 0 EGADMP Cc1c(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)sc2nc(C)nc(C)c12 ZINC000768546317 1302932339 /nfs/dbraw/zinc/93/23/39/1302932339.db2.gz JCBFADOBUDHJIZ-OAHLLOKOSA-N 2 1 332.517 3.390 20 0 EGADMP Cc1c(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)sc2nc(C)nc(C)c12 ZINC000768546317 1302932347 /nfs/dbraw/zinc/93/23/47/1302932347.db2.gz JCBFADOBUDHJIZ-OAHLLOKOSA-N 2 1 332.517 3.390 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000769513573 1303133442 /nfs/dbraw/zinc/13/34/42/1303133442.db2.gz BVYMIDMVXAOIRP-UHFFFAOYSA-N 2 1 346.515 3.287 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000769676226 1303155959 /nfs/dbraw/zinc/15/59/59/1303155959.db2.gz AIIFJNBZVFRZSY-CABCVRRESA-N 2 1 327.513 3.142 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1N(C)C ZINC000769687360 1303158601 /nfs/dbraw/zinc/15/86/01/1303158601.db2.gz FZWBHFXJPGUCAT-WMZOPIPTSA-N 2 1 331.504 3.047 20 0 EGADMP CC(C)[C@@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)[NH+]1CCC(C)CC1 ZINC000885923291 1303278327 /nfs/dbraw/zinc/27/83/27/1303278327.db2.gz VYEDMBQJRAORKS-RBUKOAKNSA-N 2 1 338.536 3.061 20 0 EGADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000885927007 1303280718 /nfs/dbraw/zinc/28/07/18/1303280718.db2.gz MATJHTDDSXNOEZ-UHFFFAOYSA-N 2 1 337.471 3.482 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000886060124 1303341857 /nfs/dbraw/zinc/34/18/57/1303341857.db2.gz VBFWNNSMNMYVTI-CDFDFNMFSA-N 2 1 340.442 3.195 20 0 EGADMP C[C@H](COCc1ccccc1)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000886081127 1303350224 /nfs/dbraw/zinc/35/02/24/1303350224.db2.gz JHEQMBMXAGXKMC-FYZZASKESA-N 2 1 346.515 3.023 20 0 EGADMP Cc1cc(C[NH+](C)[C@H]2CC[C@H]([N@@H+](C)Cc3cc(C)no3)CC2)on1 ZINC000886389429 1303454009 /nfs/dbraw/zinc/45/40/09/1303454009.db2.gz JBUGKBSGQCOOGT-WKILWMFISA-N 2 1 332.448 3.154 20 0 EGADMP Cc1[nH]c(C2CC[NH+]([C@@H]3CCc4ccccc4NC3=O)CC2)[nH+]c1C ZINC000886662811 1303543976 /nfs/dbraw/zinc/54/39/76/1303543976.db2.gz MMDHHTWSLDQBDL-GOSISDBHSA-N 2 1 338.455 3.159 20 0 EGADMP CCC1([NH+]2CCC2)CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000886710554 1303573177 /nfs/dbraw/zinc/57/31/77/1303573177.db2.gz ADBNOMNXKHDAON-UHFFFAOYSA-N 2 1 340.471 3.229 20 0 EGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000886717633 1303578987 /nfs/dbraw/zinc/57/89/87/1303578987.db2.gz FDYHGFJCMIDMFC-QGZVFWFLSA-N 2 1 328.456 3.417 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)c2ccccc21 ZINC000773112822 1303627254 /nfs/dbraw/zinc/62/72/54/1303627254.db2.gz ALMDATMYKPEIIE-GOSISDBHSA-N 2 1 329.488 3.337 20 0 EGADMP CC[C@H]1CC(=O)N(C[NH+]2CCC(CC[N@@H+](CC)CC(C)C)CC2)C1 ZINC000773269729 1303652272 /nfs/dbraw/zinc/65/22/72/1303652272.db2.gz FITFWPIHEWODJG-SFHVURJKSA-N 2 1 337.552 3.282 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CN2CC(C)(C)OC2=O)CC1)CC(C)C ZINC000773270640 1303652574 /nfs/dbraw/zinc/65/25/74/1303652574.db2.gz HYQANOPKSNUBDB-UHFFFAOYSA-N 2 1 339.524 3.255 20 0 EGADMP CC[N@H+](CCC1CC[NH+](CN2CC(C)(C)OC2=O)CC1)CC(C)C ZINC000773270640 1303652571 /nfs/dbraw/zinc/65/25/71/1303652571.db2.gz HYQANOPKSNUBDB-UHFFFAOYSA-N 2 1 339.524 3.255 20 0 EGADMP CC(C)CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1(C)C ZINC000776159628 1304103530 /nfs/dbraw/zinc/10/35/30/1304103530.db2.gz YOOVUWLTHPUHDZ-CEXWTWQISA-N 2 1 338.536 3.059 20 0 EGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(N[C@@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000777584468 1304321609 /nfs/dbraw/zinc/32/16/09/1304321609.db2.gz YZZRXNIKRSALMJ-ZIFCJYIRSA-N 2 1 331.504 3.302 20 0 EGADMP C[C@@H]1CC[NH+](CCOc2ccc(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)C1 ZINC000777584468 1304321614 /nfs/dbraw/zinc/32/16/14/1304321614.db2.gz YZZRXNIKRSALMJ-ZIFCJYIRSA-N 2 1 331.504 3.302 20 0 EGADMP C[C@@H]1CC[NH+](CCOc2ccc(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)C1 ZINC000777584468 1304321619 /nfs/dbraw/zinc/32/16/19/1304321619.db2.gz YZZRXNIKRSALMJ-ZIFCJYIRSA-N 2 1 331.504 3.302 20 0 EGADMP C[C@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CC[N@H+]1C ZINC000777675981 1304333504 /nfs/dbraw/zinc/33/35/04/1304333504.db2.gz RIWRTEOZBXQORA-RDJZCZTQSA-N 2 1 348.510 3.251 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(C)o1 ZINC000781638670 1304852357 /nfs/dbraw/zinc/85/23/57/1304852357.db2.gz NQLIOONDKYZHSQ-HXUWFJFHSA-N 2 1 328.456 3.143 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000785441181 1305351443 /nfs/dbraw/zinc/35/14/43/1305351443.db2.gz GTWYQIOPMZOJQO-MRXNPFEDSA-N 2 1 341.540 3.344 20 0 EGADMP COCCOC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000892580133 1305450686 /nfs/dbraw/zinc/45/06/86/1305450686.db2.gz HBPAVGTWGNXNDD-MSOLQXFVSA-N 2 1 334.504 3.060 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788507533 1305958561 /nfs/dbraw/zinc/95/85/61/1305958561.db2.gz PLMSFRUKRWQUCB-IAGOWNOFSA-N 2 1 341.540 3.342 20 0 EGADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000788615260 1305981822 /nfs/dbraw/zinc/98/18/22/1305981822.db2.gz YOMZHMPMOHTOJV-DLBZAZTESA-N 2 1 341.540 3.344 20 0 EGADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000788615260 1305981828 /nfs/dbraw/zinc/98/18/28/1305981828.db2.gz YOMZHMPMOHTOJV-DLBZAZTESA-N 2 1 341.540 3.344 20 0 EGADMP CCn1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(-c2ccccc2)n1 ZINC000893953776 1306144473 /nfs/dbraw/zinc/14/44/73/1306144473.db2.gz YZXHMCJGZMBLCN-KRWDZBQOSA-N 2 1 326.488 3.344 20 0 EGADMP CCn1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(-c2ccccc2)n1 ZINC000893953776 1306144475 /nfs/dbraw/zinc/14/44/75/1306144475.db2.gz YZXHMCJGZMBLCN-KRWDZBQOSA-N 2 1 326.488 3.344 20 0 EGADMP CCn1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(-c2ccccc2)n1 ZINC000893953776 1306144478 /nfs/dbraw/zinc/14/44/78/1306144478.db2.gz YZXHMCJGZMBLCN-KRWDZBQOSA-N 2 1 326.488 3.344 20 0 EGADMP CCn1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(-c2ccccc2)n1 ZINC000893953776 1306144481 /nfs/dbraw/zinc/14/44/81/1306144481.db2.gz YZXHMCJGZMBLCN-KRWDZBQOSA-N 2 1 326.488 3.344 20 0 EGADMP O[C@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(F)cc1 ZINC000789353366 1306145714 /nfs/dbraw/zinc/14/57/14/1306145714.db2.gz SKGLRGBJAYBGCH-LJQANCHMSA-N 2 1 343.446 3.272 20 0 EGADMP Cc1ncoc1CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000894093874 1306214498 /nfs/dbraw/zinc/21/44/98/1306214498.db2.gz IYWVHQQORMYHES-RTBURBONSA-N 2 1 325.456 3.470 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000894477190 1308912165 /nfs/dbraw/zinc/91/21/65/1308912165.db2.gz ZGZUEDJBKGYMRH-UHFFFAOYSA-N 2 1 332.395 3.275 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000894477190 1308912169 /nfs/dbraw/zinc/91/21/69/1308912169.db2.gz ZGZUEDJBKGYMRH-UHFFFAOYSA-N 2 1 332.395 3.275 20 0 EGADMP COC(=O)CC[C@H](CC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000895075042 1309182350 /nfs/dbraw/zinc/18/23/50/1309182350.db2.gz PIKRKXQVUGQZKM-MVCQKVDPSA-N 2 1 336.520 3.493 20 0 EGADMP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793553525 1309402922 /nfs/dbraw/zinc/40/29/22/1309402922.db2.gz NIBMQHJQABAOGR-LNLFQRSKSA-N 2 1 326.488 3.290 20 0 EGADMP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793553525 1309402928 /nfs/dbraw/zinc/40/29/28/1309402928.db2.gz NIBMQHJQABAOGR-LNLFQRSKSA-N 2 1 326.488 3.290 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000797112656 1310143093 /nfs/dbraw/zinc/14/30/93/1310143093.db2.gz IKKKPJUNRZPRRR-NRFANRHFSA-N 2 1 344.547 3.185 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000797112656 1310143099 /nfs/dbraw/zinc/14/30/99/1310143099.db2.gz IKKKPJUNRZPRRR-NRFANRHFSA-N 2 1 344.547 3.185 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000797958228 1310275635 /nfs/dbraw/zinc/27/56/35/1310275635.db2.gz IEYPNRIDCGUWBQ-UHFFFAOYSA-N 2 1 341.540 3.296 20 0 EGADMP CC(C)(C)OC(=O)NCCC[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000798087941 1310293720 /nfs/dbraw/zinc/29/37/20/1310293720.db2.gz AJSUZSSCZVCZNG-QGZVFWFLSA-N 2 1 339.524 3.288 20 0 EGADMP C[C@]1(CNC2CC[NH+](CC3CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935246 1310460380 /nfs/dbraw/zinc/46/03/80/1310460380.db2.gz MEHXUBXJPPIIOQ-JOCHJYFZSA-N 2 1 341.543 3.363 20 0 EGADMP C[NH+](C)C1(C)CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000899173745 1310965485 /nfs/dbraw/zinc/96/54/85/1310965485.db2.gz DQYSKTHESYVISY-XTBIFASLSA-N 2 1 343.515 3.059 20 0 EGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001018966923 1316988173 /nfs/dbraw/zinc/98/81/73/1316988173.db2.gz XGKSZVMHDMZLIE-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC[NH+]2C(C)(C)C)c1 ZINC000900652291 1317319345 /nfs/dbraw/zinc/31/93/45/1317319345.db2.gz LAVRIRCWGDOBTQ-SFHVURJKSA-N 2 1 331.504 3.016 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000900652291 1317319354 /nfs/dbraw/zinc/31/93/54/1317319354.db2.gz LAVRIRCWGDOBTQ-SFHVURJKSA-N 2 1 331.504 3.016 20 0 EGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000900652291 1317319362 /nfs/dbraw/zinc/31/93/62/1317319362.db2.gz LAVRIRCWGDOBTQ-SFHVURJKSA-N 2 1 331.504 3.016 20 0 EGADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1)c1ccccc1 ZINC001020143997 1317559141 /nfs/dbraw/zinc/55/91/41/1317559141.db2.gz NJKUSQWBXUAARB-UAFMIMERSA-N 2 1 343.515 3.247 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001020151228 1317565027 /nfs/dbraw/zinc/56/50/27/1317565027.db2.gz POYWGWSVACEQOD-MUGJNUQGSA-N 2 1 347.547 3.068 20 0 EGADMP COc1cccc(-c2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)on2)c1 ZINC000902453215 1317579578 /nfs/dbraw/zinc/57/95/78/1317579578.db2.gz NTBXTKDHQOKYTP-GBESFXJTSA-N 2 1 341.455 3.361 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1)C(C)C ZINC000957773030 1317637354 /nfs/dbraw/zinc/63/73/54/1317637354.db2.gz WACUNEXARCEEIO-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000903096455 1317651551 /nfs/dbraw/zinc/65/15/51/1317651551.db2.gz CSKHNNFYJMNLRI-BPZRQAJTSA-N 2 1 326.444 3.077 20 0 EGADMP CC(C)Oc1ccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903099038 1317652753 /nfs/dbraw/zinc/65/27/53/1317652753.db2.gz XPTFHDJRIKKPPV-VZKPYBMVSA-N 2 1 344.499 3.255 20 0 EGADMP c1ccc(C[NH+]2CC[C@H](CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903164262 1317666061 /nfs/dbraw/zinc/66/60/61/1317666061.db2.gz KHEPDRABZWHWIH-CLORWUCXSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](CNC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)cc1 ZINC000903164262 1317666065 /nfs/dbraw/zinc/66/60/65/1317666065.db2.gz KHEPDRABZWHWIH-CLORWUCXSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CNC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)cc1 ZINC000903164262 1317666070 /nfs/dbraw/zinc/66/60/70/1317666070.db2.gz KHEPDRABZWHWIH-CLORWUCXSA-N 2 1 339.527 3.256 20 0 EGADMP c1ccc(C[NH+]2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cc1 ZINC000903164262 1317666075 /nfs/dbraw/zinc/66/60/75/1317666075.db2.gz KHEPDRABZWHWIH-CLORWUCXSA-N 3 1 339.527 3.256 20 0 EGADMP c1ccc(C[NH+]2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903164262 1317666079 /nfs/dbraw/zinc/66/60/79/1317666079.db2.gz KHEPDRABZWHWIH-CLORWUCXSA-N 3 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)cc1 ZINC000903164262 1317666083 /nfs/dbraw/zinc/66/60/83/1317666083.db2.gz KHEPDRABZWHWIH-CLORWUCXSA-N 3 1 339.527 3.256 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)C2)cc1 ZINC000903164262 1317666087 /nfs/dbraw/zinc/66/60/87/1317666087.db2.gz KHEPDRABZWHWIH-CLORWUCXSA-N 3 1 339.527 3.256 20 0 EGADMP c1cc([C@@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CCO2)ccn1 ZINC000903186450 1317670233 /nfs/dbraw/zinc/67/02/33/1317670233.db2.gz KRDLZOGNOPBQLU-DSLRARGZSA-N 2 1 327.472 3.049 20 0 EGADMP c1cn(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c2ccccc2)cn1 ZINC000903220560 1317674536 /nfs/dbraw/zinc/67/45/36/1317674536.db2.gz MRQUWCLIGSMGDQ-KRIYCRJKSA-N 2 1 336.483 3.372 20 0 EGADMP c1cn(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c2ccccc2)cn1 ZINC000903220560 1317674544 /nfs/dbraw/zinc/67/45/44/1317674544.db2.gz MRQUWCLIGSMGDQ-KRIYCRJKSA-N 2 1 336.483 3.372 20 0 EGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000808453964 1317679806 /nfs/dbraw/zinc/67/98/06/1317679806.db2.gz CEGVIYBUZPQQSH-INIZCTEOSA-N 2 1 341.540 3.344 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000808453964 1317679813 /nfs/dbraw/zinc/67/98/13/1317679813.db2.gz CEGVIYBUZPQQSH-INIZCTEOSA-N 2 1 341.540 3.344 20 0 EGADMP CC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C)Cc1ccc(OC)cc1 ZINC000903723586 1317726079 /nfs/dbraw/zinc/72/60/79/1317726079.db2.gz IVQGYXZQXSJQGH-YLJYHZDGSA-N 2 1 346.515 3.107 20 0 EGADMP C[C@@H]1SCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000903733454 1317726779 /nfs/dbraw/zinc/72/67/79/1317726779.db2.gz KLALLQMBWTYVAR-UHOSZYNNSA-N 2 1 346.540 3.324 20 0 EGADMP c1c2c(oc1-c1ccccc1)CC[N@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903764501 1317730443 /nfs/dbraw/zinc/73/04/43/1317730443.db2.gz SSXDXEIMXWFNQD-NQIIRXRSSA-N 2 1 338.451 3.073 20 0 EGADMP COc1ccc(F)cc1-c1cncc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000903759878 1317730711 /nfs/dbraw/zinc/73/07/11/1317730711.db2.gz STYHHRVJUODWOG-PBHICJAKSA-N 2 1 343.446 3.313 20 0 EGADMP COc1ccccc1[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903780763 1317731977 /nfs/dbraw/zinc/73/19/77/1317731977.db2.gz LDRJPTJZSCHZOL-LQWHRVPQSA-N 2 1 344.499 3.033 20 0 EGADMP FC(F)CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903789637 1317734033 /nfs/dbraw/zinc/73/40/33/1317734033.db2.gz YSGGJEDURFSJHS-WTXIUTQJSA-N 2 1 328.447 3.043 20 0 EGADMP COc1ccc(C(C)C)cc1C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818415 1317737433 /nfs/dbraw/zinc/73/74/33/1317737433.db2.gz KSYVGZVJTBMSNM-UHFFFAOYSA-N 2 1 332.488 3.163 20 0 EGADMP COc1ccc(C(C)C)cc1C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818415 1317737438 /nfs/dbraw/zinc/73/74/38/1317737438.db2.gz KSYVGZVJTBMSNM-UHFFFAOYSA-N 2 1 332.488 3.163 20 0 EGADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000903885412 1317742344 /nfs/dbraw/zinc/74/23/44/1317742344.db2.gz HGDSXKGFNXZWMR-ICSRJNTNSA-N 2 1 339.487 3.320 20 0 EGADMP [NH3+][C@@H](C[NH2+]CCCOc1ccc(Cl)cc1Cl)CC(F)F ZINC000903922553 1317749451 /nfs/dbraw/zinc/74/94/51/1317749451.db2.gz ZILNKHIVXJAHLM-SNVBAGLBSA-N 2 1 327.202 3.334 20 0 EGADMP Cn1cc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c(-c2cccs2)n1 ZINC000903959498 1317756890 /nfs/dbraw/zinc/75/68/90/1317756890.db2.gz IZWISTXKYUJIGM-SFHVURJKSA-N 2 1 330.501 3.114 20 0 EGADMP Cn1cc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c(-c2cccs2)n1 ZINC000903959498 1317756898 /nfs/dbraw/zinc/75/68/98/1317756898.db2.gz IZWISTXKYUJIGM-SFHVURJKSA-N 2 1 330.501 3.114 20 0 EGADMP Fc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903972967 1317759710 /nfs/dbraw/zinc/75/97/10/1317759710.db2.gz MRYOYKLACYWBCT-CEXWTWQISA-N 2 1 332.463 3.210 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1OCc1ccccc1 ZINC000904406012 1317843213 /nfs/dbraw/zinc/84/32/13/1317843213.db2.gz NKLWVZCJLXARRN-KRWDZBQOSA-N 2 1 340.467 3.445 20 0 EGADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406689 1317843333 /nfs/dbraw/zinc/84/33/33/1317843333.db2.gz YLUCIZDLUQTCDD-MRXNPFEDSA-N 2 1 326.488 3.341 20 0 EGADMP Fc1cccn2cc(C[NH+]3CCC([C@H]4CCC[NH2+]CC4)CC3)nc12 ZINC000904416104 1317844968 /nfs/dbraw/zinc/84/49/68/1317844968.db2.gz HKVCENLMHRXOSE-HNNXBMFYSA-N 2 1 330.451 3.075 20 0 EGADMP CCOC(=O)c1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000809738618 1317884976 /nfs/dbraw/zinc/88/49/76/1317884976.db2.gz BVJRQTGOMJVXGY-UHFFFAOYSA-N 2 1 330.428 3.150 20 0 EGADMP CCOC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000809738618 1317884980 /nfs/dbraw/zinc/88/49/80/1317884980.db2.gz BVJRQTGOMJVXGY-UHFFFAOYSA-N 2 1 330.428 3.150 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000906885293 1318160468 /nfs/dbraw/zinc/16/04/68/1318160468.db2.gz JTTJDZMKBSZDRV-KRWDZBQOSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCC2CCCCC2)C1 ZINC001021460501 1318264668 /nfs/dbraw/zinc/26/46/68/1318264668.db2.gz CCBZLFNPKTYBRD-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2CCCCC2)C1 ZINC001021460501 1318264674 /nfs/dbraw/zinc/26/46/74/1318264674.db2.gz CCBZLFNPKTYBRD-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP C[NH+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CCCCC2)C1 ZINC001021460501 1318264683 /nfs/dbraw/zinc/26/46/83/1318264683.db2.gz CCBZLFNPKTYBRD-XUBOLADHSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000960007708 1318310264 /nfs/dbraw/zinc/31/02/64/1318310264.db2.gz PZDHCIMORGOQHR-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CCCC2)C1 ZINC000960026386 1318318973 /nfs/dbraw/zinc/31/89/73/1318318973.db2.gz ANDQYZWKXXOVOP-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC000960032342 1318320807 /nfs/dbraw/zinc/32/08/07/1318320807.db2.gz FHWMFWPFQYZOGH-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCC2)CC[N@H+]1C ZINC000960102074 1318357560 /nfs/dbraw/zinc/35/75/60/1318357560.db2.gz LVVGPOZEZPQJHW-IHPCNDPISA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC000960271816 1318437877 /nfs/dbraw/zinc/43/78/77/1318437877.db2.gz VTLDCSHBVHKFET-FBBABVLZSA-N 2 1 343.515 3.030 20 0 EGADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)c1sccc1C[NH+](C)C ZINC000909605056 1318499582 /nfs/dbraw/zinc/49/95/82/1318499582.db2.gz CEAKKNKHNPJLIN-UHFFFAOYSA-N 2 1 331.485 3.432 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681911 1318552984 /nfs/dbraw/zinc/55/29/84/1318552984.db2.gz KCGZABKCPULUAT-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021705965 1318578604 /nfs/dbraw/zinc/57/86/04/1318578604.db2.gz HQQQIGAYNULPIJ-UXHICEINSA-N 2 1 349.563 3.076 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[NH+](CC)C[C@H]2C)cc1)C(C)C ZINC000910289194 1318600444 /nfs/dbraw/zinc/60/04/44/1318600444.db2.gz QLAQIARODCDQCJ-GOSISDBHSA-N 2 1 345.531 3.473 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@H+](CC)C[C@H]2C)cc1)C(C)C ZINC000910289194 1318600456 /nfs/dbraw/zinc/60/04/56/1318600456.db2.gz QLAQIARODCDQCJ-GOSISDBHSA-N 2 1 345.531 3.473 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@@H+](CC)C[C@H]2C)cc1)C(C)C ZINC000910289194 1318600465 /nfs/dbraw/zinc/60/04/65/1318600465.db2.gz QLAQIARODCDQCJ-GOSISDBHSA-N 2 1 345.531 3.473 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001022070263 1318787709 /nfs/dbraw/zinc/78/77/09/1318787709.db2.gz TYIRPINWKSJXRK-OTWHNJEPSA-N 2 1 349.563 3.312 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001022071563 1318788711 /nfs/dbraw/zinc/78/87/11/1318788711.db2.gz TYVLJORJSXKZGK-XSYGEPLQSA-N 2 1 343.515 3.166 20 0 EGADMP CCc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC000960709403 1318811361 /nfs/dbraw/zinc/81/13/61/1318811361.db2.gz KTAFXPDFRMAQLM-WOJBJXKFSA-N 2 1 345.531 3.012 20 0 EGADMP C[N@@H+](C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2)CC1CCCCC1 ZINC000960731524 1318832859 /nfs/dbraw/zinc/83/28/59/1318832859.db2.gz VZNVFQHVRIJHIF-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CC2CCCCC2)CC[N@H+]1C ZINC000960822808 1318947889 /nfs/dbraw/zinc/94/78/89/1318947889.db2.gz NEKWKAGGTVSKFJ-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[N@H+](C)CC2CCCCC2)CC[NH+]1C ZINC000960822808 1318947904 /nfs/dbraw/zinc/94/79/04/1318947904.db2.gz NEKWKAGGTVSKFJ-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCCCC2)CC[NH+]1C ZINC000960822808 1318947918 /nfs/dbraw/zinc/94/79/18/1318947918.db2.gz NEKWKAGGTVSKFJ-IHPCNDPISA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC(C)CC3)C2)C1 ZINC001022585542 1319005737 /nfs/dbraw/zinc/00/57/37/1319005737.db2.gz QKKHGHGQVBGHQN-WKXIVMOISA-N 2 1 349.563 3.172 20 0 EGADMP Cc1cc(F)ccc1[C@H](C)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000815582227 1319021697 /nfs/dbraw/zinc/02/16/97/1319021697.db2.gz ASNYRYHKSKENCJ-LAUBAEHRSA-N 2 1 342.458 3.422 20 0 EGADMP Cc1cc(F)ccc1[C@H](C)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000815582227 1319021703 /nfs/dbraw/zinc/02/17/03/1319021703.db2.gz ASNYRYHKSKENCJ-LAUBAEHRSA-N 2 1 342.458 3.422 20 0 EGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000815582227 1319021709 /nfs/dbraw/zinc/02/17/09/1319021709.db2.gz ASNYRYHKSKENCJ-LAUBAEHRSA-N 2 1 342.458 3.422 20 0 EGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000815582227 1319021716 /nfs/dbraw/zinc/02/17/16/1319021716.db2.gz ASNYRYHKSKENCJ-LAUBAEHRSA-N 2 1 342.458 3.422 20 0 EGADMP CSc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+](C)C)cc1 ZINC000815659696 1319038798 /nfs/dbraw/zinc/03/87/98/1319038798.db2.gz INAYYERGVJBANL-PHSGOXPASA-N 2 1 333.545 3.226 20 0 EGADMP C[N@@H+](C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1)CC1CCCCC1 ZINC000960916706 1319062645 /nfs/dbraw/zinc/06/26/45/1319062645.db2.gz NQKHTSFMOQLSCV-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1)CC1CCC(C)(C)CC1 ZINC000961031586 1319156338 /nfs/dbraw/zinc/15/63/38/1319156338.db2.gz ZQKPPQASLTYAID-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1)CC1CCC(C)(C)CC1 ZINC000961031586 1319156341 /nfs/dbraw/zinc/15/63/41/1319156341.db2.gz ZQKPPQASLTYAID-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP C[NH+](C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)CC1CCC(C)(C)CC1 ZINC000961031586 1319156345 /nfs/dbraw/zinc/15/63/45/1319156345.db2.gz ZQKPPQASLTYAID-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961157797 1319279664 /nfs/dbraw/zinc/27/96/64/1319279664.db2.gz OEZJLTLSGRZUHZ-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1cccc([C@H](O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000930265722 1328822694 /nfs/dbraw/zinc/82/26/94/1328822694.db2.gz GIXQGRPRPANMQN-HXUWFJFHSA-N 2 1 339.483 3.441 20 0 EGADMP CC(C)[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961279000 1319435068 /nfs/dbraw/zinc/43/50/68/1319435068.db2.gz ZPWVNZOLSCJPGV-WOJBJXKFSA-N 2 1 349.563 3.076 20 0 EGADMP Fc1cnc(Cl)c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000817933811 1319464282 /nfs/dbraw/zinc/46/42/82/1319464282.db2.gz SWPCAICPCWHULY-YJBOKZPZSA-N 2 1 347.821 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC(CC)CC)C1 ZINC001023402987 1319509560 /nfs/dbraw/zinc/50/95/60/1319509560.db2.gz XXTDEEGKUIZLSQ-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC(CC)CC)C1 ZINC001023402987 1319509568 /nfs/dbraw/zinc/50/95/68/1319509568.db2.gz XXTDEEGKUIZLSQ-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(CC)CC)C1 ZINC001023402987 1319509576 /nfs/dbraw/zinc/50/95/76/1319509576.db2.gz XXTDEEGKUIZLSQ-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413925 1319516664 /nfs/dbraw/zinc/51/66/64/1319516664.db2.gz KYBCLUCJNGLNKZ-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023413925 1319516674 /nfs/dbraw/zinc/51/66/74/1319516674.db2.gz KYBCLUCJNGLNKZ-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023413925 1319516680 /nfs/dbraw/zinc/51/66/80/1319516680.db2.gz KYBCLUCJNGLNKZ-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023413717 1319517067 /nfs/dbraw/zinc/51/70/67/1319517067.db2.gz ICHBOQKPFPZKPR-DLBZAZTESA-N 2 1 346.519 3.025 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023413717 1319517076 /nfs/dbraw/zinc/51/70/76/1319517076.db2.gz ICHBOQKPFPZKPR-DLBZAZTESA-N 2 1 346.519 3.025 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)c2cc1C ZINC000818340425 1319530453 /nfs/dbraw/zinc/53/04/53/1319530453.db2.gz MJIQXHGTVAUHQJ-MRXNPFEDSA-N 2 1 340.467 3.374 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000961378550 1319537004 /nfs/dbraw/zinc/53/70/04/1319537004.db2.gz OGEOBOQICZPEPZ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961378550 1319537007 /nfs/dbraw/zinc/53/70/07/1319537007.db2.gz OGEOBOQICZPEPZ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961378550 1319537010 /nfs/dbraw/zinc/53/70/10/1319537010.db2.gz OGEOBOQICZPEPZ-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP O=C(NC[C@H]1CCC[N@@H+](CCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001023466862 1319565713 /nfs/dbraw/zinc/56/57/13/1319565713.db2.gz QBRAORIVGFFHPV-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000961411842 1319569062 /nfs/dbraw/zinc/56/90/62/1319569062.db2.gz PEPDAZMRNHYSTC-AZUAARDMSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961411842 1319569070 /nfs/dbraw/zinc/56/90/70/1319569070.db2.gz PEPDAZMRNHYSTC-AZUAARDMSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961411842 1319569073 /nfs/dbraw/zinc/56/90/73/1319569073.db2.gz PEPDAZMRNHYSTC-AZUAARDMSA-N 2 1 349.563 3.079 20 0 EGADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000818989168 1319607367 /nfs/dbraw/zinc/60/73/67/1319607367.db2.gz ZYFLWLIRDGQFAA-BEFAXECRSA-N 2 1 348.487 3.422 20 0 EGADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000818989168 1319607378 /nfs/dbraw/zinc/60/73/78/1319607378.db2.gz ZYFLWLIRDGQFAA-BEFAXECRSA-N 2 1 348.487 3.422 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2)[C@@H]1c1cccs1 ZINC000819100841 1319634907 /nfs/dbraw/zinc/63/49/07/1319634907.db2.gz JIEHNXQWOJXMEG-YQVWRLOYSA-N 2 1 330.497 3.454 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2)[C@@H]1c1cccs1 ZINC000819100841 1319634916 /nfs/dbraw/zinc/63/49/16/1319634916.db2.gz JIEHNXQWOJXMEG-YQVWRLOYSA-N 2 1 330.497 3.454 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC000961923817 1319774951 /nfs/dbraw/zinc/77/49/51/1319774951.db2.gz ISJAILOFQVBOGN-MHJFOBGBSA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001023762117 1319908121 /nfs/dbraw/zinc/90/81/21/1319908121.db2.gz RNIHLXGNGNGMPB-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001023762117 1319908129 /nfs/dbraw/zinc/90/81/29/1319908129.db2.gz RNIHLXGNGNGMPB-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001023762117 1319908139 /nfs/dbraw/zinc/90/81/39/1319908139.db2.gz RNIHLXGNGNGMPB-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023770468 1319920554 /nfs/dbraw/zinc/92/05/54/1319920554.db2.gz ZZXXMBAWXZQRMR-KRWDZBQOSA-N 2 1 349.519 3.363 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000823408833 1320176760 /nfs/dbraw/zinc/17/67/60/1320176760.db2.gz RIUDTGABUASYMY-DLBZAZTESA-N 2 1 341.540 3.057 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000823408833 1320176761 /nfs/dbraw/zinc/17/67/61/1320176761.db2.gz RIUDTGABUASYMY-DLBZAZTESA-N 2 1 341.540 3.057 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000823408833 1320176764 /nfs/dbraw/zinc/17/67/64/1320176764.db2.gz RIUDTGABUASYMY-DLBZAZTESA-N 2 1 341.540 3.057 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1)C(C)C ZINC000827329481 1320444458 /nfs/dbraw/zinc/44/44/58/1320444458.db2.gz GWBVZADQXRWAJN-PMACEKPBSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1)C(C)C ZINC000827329481 1320444464 /nfs/dbraw/zinc/44/44/64/1320444464.db2.gz GWBVZADQXRWAJN-PMACEKPBSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1)C(C)C ZINC000827329481 1320444471 /nfs/dbraw/zinc/44/44/71/1320444471.db2.gz GWBVZADQXRWAJN-PMACEKPBSA-N 2 1 343.515 3.083 20 0 EGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000930545563 1328892036 /nfs/dbraw/zinc/89/20/36/1328892036.db2.gz NVKLPEAFJNRPMS-IRXDYDNUSA-N 2 1 347.503 3.116 20 0 EGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CN2CCC(C)(C)C2=O)CC1 ZINC000839988728 1321009565 /nfs/dbraw/zinc/00/95/65/1321009565.db2.gz XMOVZGGWTDMNAB-UHFFFAOYSA-N 2 1 343.515 3.046 20 0 EGADMP CCOc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1OC(=O)CC ZINC000840953748 1321185510 /nfs/dbraw/zinc/18/55/10/1321185510.db2.gz YIZZAHOIWFHYFG-MRXNPFEDSA-N 2 1 348.487 3.222 20 0 EGADMP Cc1cc(C[NH2+][C@H](C[NH3+])C2CC2)cc(C)c1OCc1ccccn1 ZINC000841028101 1321203346 /nfs/dbraw/zinc/20/33/46/1321203346.db2.gz LRAVHFRVGBQCKF-LJQANCHMSA-N 2 1 325.456 3.104 20 0 EGADMP CCOc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1OC(=O)CC ZINC000841086823 1321216264 /nfs/dbraw/zinc/21/62/64/1321216264.db2.gz MOGPOFNNHUAJAA-INIZCTEOSA-N 2 1 334.460 3.008 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000841762869 1321309003 /nfs/dbraw/zinc/30/90/03/1321309003.db2.gz KHQCDQAGLKDEGR-LAVFITLUSA-N 2 1 334.529 3.473 20 0 EGADMP CCc1ccc2c(C[NH2+]C3CC[NH+](C4CCC4)CC3)cc(=O)oc2c1 ZINC000842159398 1321356116 /nfs/dbraw/zinc/35/61/16/1321356116.db2.gz OXUNNJUOOATQNK-UHFFFAOYSA-N 2 1 340.467 3.462 20 0 EGADMP O[C@@H](C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1)c1ccsc1 ZINC000842473116 1321393526 /nfs/dbraw/zinc/39/35/26/1321393526.db2.gz POEDLDJCQPUKIV-LPHOPBHVSA-N 2 1 330.497 3.283 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(SC(F)F)cc2)CC12CCOCC2 ZINC000843124853 1321473596 /nfs/dbraw/zinc/47/35/96/1321473596.db2.gz JKFFDKGXABVDIB-CQSZACIVSA-N 2 1 342.455 3.189 20 0 EGADMP CC(C)[C@@H]([NH3+])c1noc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000843152136 1321479484 /nfs/dbraw/zinc/47/94/84/1321479484.db2.gz QJHLXWYTKGDFAK-GDBMZVCRSA-N 2 1 332.423 3.244 20 0 EGADMP CC(C)[C@@H]([NH3+])c1noc(-c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000843153913 1321479523 /nfs/dbraw/zinc/47/95/23/1321479523.db2.gz PWQYMEMSRWTGHD-JKIFEVAISA-N 2 1 344.459 3.002 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+](C3CC3)C3CC[NH2+]CC3)c2cc1C ZINC000843346511 1321502900 /nfs/dbraw/zinc/50/29/00/1321502900.db2.gz PLQPNBQXOVDYII-UHFFFAOYSA-N 2 1 326.440 3.126 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)c2cc1C ZINC000843346511 1321502905 /nfs/dbraw/zinc/50/29/05/1321502905.db2.gz PLQPNBQXOVDYII-UHFFFAOYSA-N 2 1 326.440 3.126 20 0 EGADMP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1SC(F)(F)F ZINC000843348020 1321503177 /nfs/dbraw/zinc/50/31/77/1321503177.db2.gz ZZEHBMBVFLJBGZ-GFCCVEGCSA-N 2 1 334.407 3.478 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1SC(F)(F)F ZINC000843348020 1321503178 /nfs/dbraw/zinc/50/31/78/1321503178.db2.gz ZZEHBMBVFLJBGZ-GFCCVEGCSA-N 2 1 334.407 3.478 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000843353077 1321504027 /nfs/dbraw/zinc/50/40/27/1321504027.db2.gz ASGMOBFYUHBHDI-HDMKZQKVSA-N 2 1 325.456 3.226 20 0 EGADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000843353077 1321504031 /nfs/dbraw/zinc/50/40/31/1321504031.db2.gz ASGMOBFYUHBHDI-HDMKZQKVSA-N 2 1 325.456 3.226 20 0 EGADMP C[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)C1CCC([NH3+])CC1 ZINC000843355748 1321505006 /nfs/dbraw/zinc/50/50/06/1321505006.db2.gz WIJBPBLFNWMTPF-UHFFFAOYSA-N 2 1 334.851 3.134 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)c2cc1C(C)C ZINC000843353722 1321505615 /nfs/dbraw/zinc/50/56/15/1321505615.db2.gz NWMNRHVUNUQMMU-KDOFPFPSSA-N 2 1 328.456 3.394 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)c2cc1C(C)C ZINC000843353722 1321505618 /nfs/dbraw/zinc/50/56/18/1321505618.db2.gz NWMNRHVUNUQMMU-KDOFPFPSSA-N 2 1 328.456 3.394 20 0 EGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCc1nc(-c2ccccc2)no1 ZINC000843361284 1321506064 /nfs/dbraw/zinc/50/60/64/1321506064.db2.gz CPYQJFIMIOGQNW-ALOPSCKCSA-N 2 1 326.444 3.013 20 0 EGADMP CC[N@@H+](CCCNC(=O)CCCn1ccnc1C)C1CCCCC1 ZINC000844780185 1321645681 /nfs/dbraw/zinc/64/56/81/1321645681.db2.gz UWFNTTCDZASTKO-UHFFFAOYSA-N 2 1 334.508 3.133 20 0 EGADMP CC[N@H+](CCCNC(=O)CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000844780185 1321645684 /nfs/dbraw/zinc/64/56/84/1321645684.db2.gz UWFNTTCDZASTKO-UHFFFAOYSA-N 2 1 334.508 3.133 20 0 EGADMP CC[N@@H+](CCCNC(=O)CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000844780185 1321645689 /nfs/dbraw/zinc/64/56/89/1321645689.db2.gz UWFNTTCDZASTKO-UHFFFAOYSA-N 2 1 334.508 3.133 20 0 EGADMP Cc1ccc2c(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])cc(=O)oc2c1C ZINC000846225434 1321777879 /nfs/dbraw/zinc/77/78/79/1321777879.db2.gz AYXXJQKZOGZESG-KSSFIOAISA-N 2 1 328.456 3.359 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])c2cc1C ZINC000846225462 1321778228 /nfs/dbraw/zinc/77/82/28/1321778228.db2.gz BTOACIOSDSPBTP-FZKQIMNGSA-N 2 1 328.456 3.359 20 0 EGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NCC3CC[NH+](C)CC3)cc2)C1 ZINC000846747738 1321804137 /nfs/dbraw/zinc/80/41/37/1321804137.db2.gz VDNWPWZMVUAWEX-QGZVFWFLSA-N 2 1 331.504 3.161 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000846814399 1321811458 /nfs/dbraw/zinc/81/14/58/1321811458.db2.gz BTOOTNCPXFDILC-WMZOPIPTSA-N 2 1 331.460 3.314 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000846814399 1321811459 /nfs/dbraw/zinc/81/14/59/1321811459.db2.gz BTOOTNCPXFDILC-WMZOPIPTSA-N 2 1 331.460 3.314 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000846831306 1321813980 /nfs/dbraw/zinc/81/39/80/1321813980.db2.gz IOIDVRDPPCMXDA-PKOBYXMFSA-N 2 1 331.435 3.080 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000846831306 1321813984 /nfs/dbraw/zinc/81/39/84/1321813984.db2.gz IOIDVRDPPCMXDA-PKOBYXMFSA-N 2 1 331.435 3.080 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc2nonc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000846848943 1321816411 /nfs/dbraw/zinc/81/64/11/1321816411.db2.gz QHWFVKWOZJDJDY-CRAIPNDOSA-N 2 1 336.439 3.223 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000849113660 1322083137 /nfs/dbraw/zinc/08/31/37/1322083137.db2.gz ZFTXFINAECHNDH-RBSFLKMASA-N 2 1 334.895 3.184 20 0 EGADMP Cc1c(Br)cncc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000850175373 1322201997 /nfs/dbraw/zinc/20/19/97/1322201997.db2.gz XARZLXPUVLHVCH-KGLIPLIRSA-N 2 1 326.282 3.115 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)[C@@H](C)C1 ZINC000850522838 1322260686 /nfs/dbraw/zinc/26/06/86/1322260686.db2.gz NPKYRNHXBJAFBA-HOTGVXAUSA-N 2 1 339.524 3.144 20 0 EGADMP Cc1cc(C)c(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1C ZINC000922389408 1322516649 /nfs/dbraw/zinc/51/66/49/1322516649.db2.gz UJFBMTUADARJMO-NCYKPQTJSA-N 2 1 330.516 3.181 20 0 EGADMP Cc1ccc(NCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nc1 ZINC000922927101 1322651969 /nfs/dbraw/zinc/65/19/69/1322651969.db2.gz BPGNIPLYLHCWRM-UHFFFAOYSA-N 2 1 338.499 3.099 20 0 EGADMP O[C@H](Cc1ccc2ccccc2c1)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000923293251 1322727557 /nfs/dbraw/zinc/72/75/57/1322727557.db2.gz SNHNISUYIXFYIQ-JOCHJYFZSA-N 2 1 338.495 3.207 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1C[C@@H](O)Cc1ccc3ccccc3c1)CC[NH2+]CC2 ZINC000923384028 1322743874 /nfs/dbraw/zinc/74/38/74/1322743874.db2.gz QTSRIVFWFSLIOR-UTKZUKDTSA-N 2 1 338.495 3.207 20 0 EGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1)C1CCCC1 ZINC000923423520 1322748915 /nfs/dbraw/zinc/74/89/15/1322748915.db2.gz XIHARZROWQGTOF-BEVDRBHNSA-N 2 1 334.479 3.479 20 0 EGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(Br)ccc2OC(F)F)C1 ZINC000923490785 1322760662 /nfs/dbraw/zinc/76/06/62/1322760662.db2.gz IWRKXVKNPZAOFK-JTQLQIEISA-N 2 1 349.219 3.221 20 0 EGADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000923489607 1322760859 /nfs/dbraw/zinc/76/08/59/1322760859.db2.gz PWHQGLGHLCDILH-KRWDZBQOSA-N 2 1 329.488 3.023 20 0 EGADMP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504351 1322764813 /nfs/dbraw/zinc/76/48/13/1322764813.db2.gz QSDZVJXQSVWDPB-RVKKMQEKSA-N 2 1 325.456 3.084 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001023984729 1323064796 /nfs/dbraw/zinc/06/47/96/1323064796.db2.gz JKBNEPSMAWYFMQ-MJGOQNOKSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001024010780 1323078094 /nfs/dbraw/zinc/07/80/94/1323078094.db2.gz XEPQJOZZJPGMHA-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC1CCC(C[NH2+]C[C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001024018080 1323080435 /nfs/dbraw/zinc/08/04/35/1323080435.db2.gz KEEHVMKAXMTBCI-ACBHZAAOSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000924645940 1323089856 /nfs/dbraw/zinc/08/98/56/1323089856.db2.gz PJADCIMSKCRXSV-INIZCTEOSA-N 2 1 335.455 3.180 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001024047439 1323096864 /nfs/dbraw/zinc/09/68/64/1323096864.db2.gz SVGNGIDIMAHBOP-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CON1CCC([NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000924670411 1323104960 /nfs/dbraw/zinc/10/49/60/1323104960.db2.gz ZYFKLDQNEWDVAS-KRWDZBQOSA-N 2 1 331.504 3.034 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)C1 ZINC000924684661 1323113022 /nfs/dbraw/zinc/11/30/22/1323113022.db2.gz MDPWFXKSQDCNIU-IZZBFERCSA-N 2 1 346.563 3.479 20 0 EGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000851939710 1323119534 /nfs/dbraw/zinc/11/95/34/1323119534.db2.gz HYRICTZQQFWWST-NVXWUHKLSA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000851939710 1323119538 /nfs/dbraw/zinc/11/95/38/1323119538.db2.gz HYRICTZQQFWWST-NVXWUHKLSA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000851939710 1323119545 /nfs/dbraw/zinc/11/95/45/1323119545.db2.gz HYRICTZQQFWWST-NVXWUHKLSA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000851939710 1323119549 /nfs/dbraw/zinc/11/95/49/1323119549.db2.gz HYRICTZQQFWWST-NVXWUHKLSA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)nn1 ZINC000924940548 1323223077 /nfs/dbraw/zinc/22/30/77/1323223077.db2.gz LLRDEKVGXHSBBK-INIZCTEOSA-N 2 1 345.491 3.040 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000924948345 1323224864 /nfs/dbraw/zinc/22/48/64/1323224864.db2.gz CCDMZMQSUXOSCG-HLIPFELVSA-N 2 1 326.488 3.080 20 0 EGADMP O[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000852745423 1323234815 /nfs/dbraw/zinc/23/48/15/1323234815.db2.gz UYFNQLJINKWIJG-FGZHOGPDSA-N 2 1 336.479 3.420 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H](O)c2ccccn2)cc1 ZINC000853062132 1323271692 /nfs/dbraw/zinc/27/16/92/1323271692.db2.gz JLNOYZFOYDUFGI-LAUBAEHRSA-N 2 1 339.483 3.279 20 0 EGADMP CCC(CC)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479673 1323432729 /nfs/dbraw/zinc/43/27/29/1323432729.db2.gz MWCSHDNFVPCJCT-MSOLQXFVSA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479673 1323432735 /nfs/dbraw/zinc/43/27/35/1323432735.db2.gz MWCSHDNFVPCJCT-MSOLQXFVSA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024501626 1323449323 /nfs/dbraw/zinc/44/93/23/1323449323.db2.gz GGPNGQWQGOYCHR-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024535629 1323476540 /nfs/dbraw/zinc/47/65/40/1323476540.db2.gz VMAKOUOHCSPLJY-KRWDZBQOSA-N 2 1 342.487 3.355 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCC(C)C)C1 ZINC001024614043 1323543130 /nfs/dbraw/zinc/54/31/30/1323543130.db2.gz FOVCXCLDZKZEOI-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCC(C)C)C1 ZINC001024614043 1323543134 /nfs/dbraw/zinc/54/31/34/1323543134.db2.gz FOVCXCLDZKZEOI-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCC(C)C)C1 ZINC001024614043 1323543141 /nfs/dbraw/zinc/54/31/41/1323543141.db2.gz FOVCXCLDZKZEOI-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024618861 1323547392 /nfs/dbraw/zinc/54/73/92/1323547392.db2.gz ZDXMJMDQWUFUPJ-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024618861 1323547397 /nfs/dbraw/zinc/54/73/97/1323547397.db2.gz ZDXMJMDQWUFUPJ-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001024618861 1323547403 /nfs/dbraw/zinc/54/74/03/1323547403.db2.gz ZDXMJMDQWUFUPJ-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C/C=C/Cl)c1 ZINC001024810396 1323713420 /nfs/dbraw/zinc/71/34/20/1323713420.db2.gz DILZYLZGCLPJAU-OPUMOTSWSA-N 2 1 349.906 3.085 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCCC[N@H+]2C/C=C/Cl)c1 ZINC001024810396 1323713423 /nfs/dbraw/zinc/71/34/23/1323713423.db2.gz DILZYLZGCLPJAU-OPUMOTSWSA-N 2 1 349.906 3.085 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001024812196 1323715277 /nfs/dbraw/zinc/71/52/77/1323715277.db2.gz KCHBLGYAJPCIJE-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1=CCCCC1 ZINC001024812196 1323715284 /nfs/dbraw/zinc/71/52/84/1323715284.db2.gz KCHBLGYAJPCIJE-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1=CCCCC1 ZINC001024812196 1323715291 /nfs/dbraw/zinc/71/52/91/1323715291.db2.gz KCHBLGYAJPCIJE-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001024902721 1323773087 /nfs/dbraw/zinc/77/30/87/1323773087.db2.gz YUABMCGFUHLNCY-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP COc1ccccc1-c1nc(CN2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)cs1 ZINC000931432595 1329115685 /nfs/dbraw/zinc/11/56/85/1329115685.db2.gz WRBGBCPHBXLBKC-LSDHHAIUSA-N 2 1 343.496 3.202 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001025104820 1323896577 /nfs/dbraw/zinc/89/65/77/1323896577.db2.gz HMFAFXKGLIKEHB-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240864 1324034836 /nfs/dbraw/zinc/03/48/36/1324034836.db2.gz RRCMBFXJLZHWAT-OALUTQOASA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253889 1324060628 /nfs/dbraw/zinc/06/06/28/1324060628.db2.gz XZLVBRUBFWXNKK-MOPGFXCFSA-N 2 1 344.503 3.003 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253889 1324060633 /nfs/dbraw/zinc/06/06/33/1324060633.db2.gz XZLVBRUBFWXNKK-MOPGFXCFSA-N 2 1 344.503 3.003 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279535 1324102292 /nfs/dbraw/zinc/10/22/92/1324102292.db2.gz DDUZLFDXFOTTQM-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294637 1324123797 /nfs/dbraw/zinc/12/37/97/1324123797.db2.gz LYYDPQKLAVEWOM-MOPGFXCFSA-N 2 1 344.503 3.003 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294637 1324123802 /nfs/dbraw/zinc/12/38/02/1324123802.db2.gz LYYDPQKLAVEWOM-MOPGFXCFSA-N 2 1 344.503 3.003 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025453697 1324294774 /nfs/dbraw/zinc/29/47/74/1324294774.db2.gz SUKBDFUHXFAYQP-MOPGFXCFSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025485495 1324334387 /nfs/dbraw/zinc/33/43/87/1324334387.db2.gz NVUNJDMHYPZPIH-SJORKVTESA-N 2 1 340.471 3.131 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C(C)C)C2)o1 ZINC001025630760 1324482874 /nfs/dbraw/zinc/48/28/74/1324482874.db2.gz VRUTXLNJOJSGAQ-IAGOWNOFSA-N 2 1 349.519 3.360 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ccccc2)CC1 ZINC001026503236 1324853378 /nfs/dbraw/zinc/85/33/78/1324853378.db2.gz OPMZFTZTEZPRPF-MHJFOBGBSA-N 2 1 343.515 3.078 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963347066 1325137684 /nfs/dbraw/zinc/13/76/84/1325137684.db2.gz NOUYAGKYSFUBMX-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000963371840 1325177510 /nfs/dbraw/zinc/17/75/10/1325177510.db2.gz KFRFGNSHXDSMOA-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000963371840 1325177516 /nfs/dbraw/zinc/17/75/16/1325177516.db2.gz KFRFGNSHXDSMOA-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)C1 ZINC000925588179 1325222624 /nfs/dbraw/zinc/22/26/24/1325222624.db2.gz OOYLNGOKRUWHKI-HOJAQTOUSA-N 2 1 332.536 3.089 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(-n3cnnc3)c2)C1 ZINC000925589587 1325223510 /nfs/dbraw/zinc/22/35/10/1325223510.db2.gz ZJQXDGDHOGUKDZ-QZTJIDSGSA-N 2 1 341.503 3.286 20 0 EGADMP Cc1cccc2c1[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CC2 ZINC000926125075 1325438535 /nfs/dbraw/zinc/43/85/35/1325438535.db2.gz JYLPASXEVJGJRZ-RTWAWAEBSA-N 2 1 336.479 3.339 20 0 EGADMP C/C=C\C[C@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926200826 1325467972 /nfs/dbraw/zinc/46/79/72/1325467972.db2.gz JZLVUQYGXJMTIG-UTRMAOJVSA-N 2 1 328.500 3.489 20 0 EGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cnnn1-c1ccccc1 ZINC000926274250 1325499156 /nfs/dbraw/zinc/49/91/56/1325499156.db2.gz GKCZRMXJBHXSQZ-MRXNPFEDSA-N 2 1 327.476 3.040 20 0 EGADMP OC1CC(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000926287990 1325504959 /nfs/dbraw/zinc/50/49/59/1325504959.db2.gz HQBBOKFXCXPINP-BWQRXAFVSA-N 2 1 328.500 3.323 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000964436278 1325524938 /nfs/dbraw/zinc/52/49/38/1325524938.db2.gz APNHRDGKWVRREZ-SOAGJPPSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)CC[N@H+]1C ZINC000857136037 1325578469 /nfs/dbraw/zinc/57/84/69/1325578469.db2.gz ZLTYBUHBZSYORS-UXPWSPDFSA-N 2 1 343.515 3.051 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)CC[NH+]1C ZINC000857136037 1325578474 /nfs/dbraw/zinc/57/84/74/1325578474.db2.gz ZLTYBUHBZSYORS-UXPWSPDFSA-N 2 1 343.515 3.051 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)CC[NH+]1C ZINC000857136037 1325578482 /nfs/dbraw/zinc/57/84/82/1325578482.db2.gz ZLTYBUHBZSYORS-UXPWSPDFSA-N 2 1 343.515 3.051 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)CC1 ZINC000926730795 1327688017 /nfs/dbraw/zinc/68/80/17/1327688017.db2.gz FIZVFGGEDFFSNP-QGZVFWFLSA-N 2 1 344.421 3.237 20 0 EGADMP C[N@@H+](CC1CCCC1)[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027479414 1327733192 /nfs/dbraw/zinc/73/31/92/1327733192.db2.gz GDDWKSCJVWTMKN-GOSISDBHSA-N 2 1 340.471 3.061 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([N@H+](C)CC2CCCCCC2)C1 ZINC001027493341 1327753702 /nfs/dbraw/zinc/75/37/02/1327753702.db2.gz CPRAQDFLRZRUKP-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC001027493341 1327753709 /nfs/dbraw/zinc/75/37/09/1327753709.db2.gz CPRAQDFLRZRUKP-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1c(Br)cccc1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000926909457 1327770139 /nfs/dbraw/zinc/77/01/39/1327770139.db2.gz CDNBEEXLASZJLP-WFASDCNBSA-N 2 1 325.294 3.372 20 0 EGADMP Fc1cccc(C2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCC2)c1 ZINC000926920623 1327775899 /nfs/dbraw/zinc/77/58/99/1327775899.db2.gz AFHAHIJTJJVTIY-FQEVSTJZSA-N 2 1 346.490 3.480 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCCC2)C1)[NH+](C)C ZINC001027578533 1327912781 /nfs/dbraw/zinc/91/27/81/1327912781.db2.gz MZQFTZHLEAOWCV-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)cc1 ZINC001027578180 1327915057 /nfs/dbraw/zinc/91/50/57/1327915057.db2.gz FVLGJQCOAIRETB-UXHICEINSA-N 2 1 345.531 3.012 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCCC2)C1 ZINC001027602142 1327954760 /nfs/dbraw/zinc/95/47/60/1327954760.db2.gz MDBWADLJTMJCOL-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC001027602142 1327954775 /nfs/dbraw/zinc/95/47/75/1327954775.db2.gz MDBWADLJTMJCOL-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027602142 1327954782 /nfs/dbraw/zinc/95/47/82/1327954782.db2.gz MDBWADLJTMJCOL-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC)C2 ZINC000965814631 1328036921 /nfs/dbraw/zinc/03/69/21/1328036921.db2.gz NKPSYYOKNQVUQF-WZXTXQKWSA-N 2 1 335.536 3.068 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001027693498 1328098035 /nfs/dbraw/zinc/09/80/35/1328098035.db2.gz CMPLFWCLUSQNRC-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001027693498 1328098039 /nfs/dbraw/zinc/09/80/39/1328098039.db2.gz CMPLFWCLUSQNRC-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001027693498 1328098044 /nfs/dbraw/zinc/09/80/44/1328098044.db2.gz CMPLFWCLUSQNRC-RBUKOAKNSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](Cc1ccsc1)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694487 1328100717 /nfs/dbraw/zinc/10/07/17/1328100717.db2.gz ZZFZJVPYYVYJSV-GOSISDBHSA-N 2 1 349.544 3.047 20 0 EGADMP CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001027700292 1328116164 /nfs/dbraw/zinc/11/61/64/1328116164.db2.gz UJLQYFWBNPRTCO-INIZCTEOSA-N 2 1 335.492 3.068 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966076847 1328171190 /nfs/dbraw/zinc/17/11/90/1328171190.db2.gz ODCLTHCFOCTCGO-MSOLQXFVSA-N 2 1 335.536 3.044 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)o2)C[C@@H]1C ZINC000933368099 1329883410 /nfs/dbraw/zinc/88/34/10/1329883410.db2.gz IPRPOENIYVGNKF-IRXDYDNUSA-N 2 1 347.503 3.210 20 0 EGADMP CC(C)[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccccn1 ZINC000866359896 1330101982 /nfs/dbraw/zinc/10/19/82/1330101982.db2.gz SPPCETOKDLPQEG-HXUWFJFHSA-N 2 1 342.487 3.294 20 0 EGADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(C)OCCO1 ZINC000866423955 1330109777 /nfs/dbraw/zinc/10/97/77/1330109777.db2.gz BINSHPKUPPUUTF-CMKODMSKSA-N 2 1 346.515 3.276 20 0 EGADMP Cc1c(C(=O)N[C@@H]2CC[N@H+](CC(C)C)CC2(C)C)ccc2c[nH+]cn21 ZINC000940853769 1331221933 /nfs/dbraw/zinc/22/19/33/1331221933.db2.gz TVCLFVUXUVYCKZ-GOSISDBHSA-N 2 1 342.487 3.129 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942102370 1331831446 /nfs/dbraw/zinc/83/14/46/1331831446.db2.gz XVPBETRSECRWBB-NVXWUHKLSA-N 2 1 349.544 3.216 20 0 EGADMP C[C@H]1C[N@@H+](CCC2=CCCCC2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598361 1331996476 /nfs/dbraw/zinc/99/64/76/1331996476.db2.gz WNGWAHVVSCLOMX-FXAWDEMLSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631447 1332866645 /nfs/dbraw/zinc/86/66/45/1332866645.db2.gz IHVODWBBEGZXMC-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946631447 1332866649 /nfs/dbraw/zinc/86/66/49/1332866649.db2.gz IHVODWBBEGZXMC-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946631447 1332866651 /nfs/dbraw/zinc/86/66/51/1332866651.db2.gz IHVODWBBEGZXMC-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947310178 1333084867 /nfs/dbraw/zinc/08/48/67/1333084867.db2.gz MSGISMJWUFZVIG-ZWKOTPCHSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCC1=CCCCC1 ZINC000947685291 1333222547 /nfs/dbraw/zinc/22/25/47/1333222547.db2.gz MJPOMWGFRAJPKM-FXAWDEMLSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947799760 1333265834 /nfs/dbraw/zinc/26/58/34/1333265834.db2.gz CORHQFOKDBZRQH-APWZRJJASA-N 2 1 331.504 3.131 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCC(C)(C)C)[C@@H](C)C2)CC1 ZINC000947851803 1333279316 /nfs/dbraw/zinc/27/93/16/1333279316.db2.gz ANDRPKXSDPLLIM-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947907268 1333301223 /nfs/dbraw/zinc/30/12/23/1333301223.db2.gz FXMLUGCGLAILBC-YLJYHZDGSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CCCC1CCCC1 ZINC000947934535 1333311184 /nfs/dbraw/zinc/31/11/84/1333311184.db2.gz KYMSJOPDUYIQJG-PKOBYXMFSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC1CCCCCC1 ZINC000947933960 1333311631 /nfs/dbraw/zinc/31/16/31/1333311631.db2.gz ILXJKXNNJRDQNQ-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC1CCCCCC1 ZINC000948040833 1333350314 /nfs/dbraw/zinc/35/03/14/1333350314.db2.gz UKLGVSCYBMQLTG-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)[C@H](C)C2)o1 ZINC000948079152 1333368783 /nfs/dbraw/zinc/36/87/83/1333368783.db2.gz UMCKOFNEBDCZFH-WBVHZDCISA-N 2 1 347.503 3.114 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC=C(C)C)CC1 ZINC000948416673 1333516469 /nfs/dbraw/zinc/51/64/69/1333516469.db2.gz MALDUUGQYWSZKQ-RTBURBONSA-N 2 1 335.536 3.140 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC=C(C)C)CC1 ZINC000948416673 1333516473 /nfs/dbraw/zinc/51/64/73/1333516473.db2.gz MALDUUGQYWSZKQ-RTBURBONSA-N 2 1 335.536 3.140 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC=C(C)C)CC1 ZINC000948416673 1333516477 /nfs/dbraw/zinc/51/64/77/1333516477.db2.gz MALDUUGQYWSZKQ-RTBURBONSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948574820 1333583306 /nfs/dbraw/zinc/58/33/06/1333583306.db2.gz LMJSKWRQQUVTOM-VQTJNVASSA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574820 1333583308 /nfs/dbraw/zinc/58/33/08/1333583308.db2.gz LMJSKWRQQUVTOM-VQTJNVASSA-N 2 1 349.563 3.386 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574820 1333583310 /nfs/dbraw/zinc/58/33/10/1333583310.db2.gz LMJSKWRQQUVTOM-VQTJNVASSA-N 2 1 349.563 3.386 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948583397 1333584651 /nfs/dbraw/zinc/58/46/51/1333584651.db2.gz QHUXQYORMQKDBH-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC000948620656 1333599924 /nfs/dbraw/zinc/59/99/24/1333599924.db2.gz GYIPKBFNENRSPK-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000948620656 1333599925 /nfs/dbraw/zinc/59/99/25/1333599925.db2.gz GYIPKBFNENRSPK-IBGZPJMESA-N 2 1 346.519 3.085 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC000948634018 1333604989 /nfs/dbraw/zinc/60/49/89/1333604989.db2.gz JMPKMOLKIZFUQR-UYAOXDASSA-N 2 1 343.515 3.075 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC000948634018 1333604991 /nfs/dbraw/zinc/60/49/91/1333604991.db2.gz JMPKMOLKIZFUQR-UYAOXDASSA-N 2 1 343.515 3.075 20 0 EGADMP CCCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000948710960 1333642999 /nfs/dbraw/zinc/64/29/99/1333642999.db2.gz IZTXUFYJVQQFEE-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948710960 1333643000 /nfs/dbraw/zinc/64/30/00/1333643000.db2.gz IZTXUFYJVQQFEE-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000948710960 1333643003 /nfs/dbraw/zinc/64/30/03/1333643003.db2.gz IZTXUFYJVQQFEE-OALUTQOASA-N 2 1 337.552 3.221 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CCC[NH+](CCCC3CCC3)CC2)C1 ZINC000948767718 1333670361 /nfs/dbraw/zinc/67/03/61/1333670361.db2.gz ZXXPJVDTWPNOPK-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@H+](CCCC3CCC3)CC2)C1 ZINC000948767718 1333670366 /nfs/dbraw/zinc/67/03/66/1333670366.db2.gz ZXXPJVDTWPNOPK-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CCC[N@@H+](CCCC3CCC3)CC2)C1 ZINC000948767718 1333670370 /nfs/dbraw/zinc/67/03/70/1333670370.db2.gz ZXXPJVDTWPNOPK-AZUAARDMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC000948775543 1333674191 /nfs/dbraw/zinc/67/41/91/1333674191.db2.gz KVGYSZXCJFBLAL-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC000948775543 1333674193 /nfs/dbraw/zinc/67/41/93/1333674193.db2.gz KVGYSZXCJFBLAL-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000948775543 1333674197 /nfs/dbraw/zinc/67/41/97/1333674197.db2.gz KVGYSZXCJFBLAL-AZUAARDMSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC000948775546 1333674849 /nfs/dbraw/zinc/67/48/49/1333674849.db2.gz KVGYSZXCJFBLAL-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC000948775546 1333674852 /nfs/dbraw/zinc/67/48/52/1333674852.db2.gz KVGYSZXCJFBLAL-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000948775546 1333674855 /nfs/dbraw/zinc/67/48/55/1333674855.db2.gz KVGYSZXCJFBLAL-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC000948775728 1333674872 /nfs/dbraw/zinc/67/48/72/1333674872.db2.gz PMYREOMTDIJCKT-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000948775728 1333674873 /nfs/dbraw/zinc/67/48/73/1333674873.db2.gz PMYREOMTDIJCKT-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000948775728 1333674875 /nfs/dbraw/zinc/67/48/75/1333674875.db2.gz PMYREOMTDIJCKT-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP Cc1c(C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)ccc2c[nH+]cn21 ZINC000949018985 1333766995 /nfs/dbraw/zinc/76/69/95/1333766995.db2.gz AHUNUEQWUWNJBO-MRXNPFEDSA-N 2 1 348.450 3.162 20 0 EGADMP CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1C[NH+](CCC2CCCC2)C1 ZINC000950616185 1334097640 /nfs/dbraw/zinc/09/76/40/1334097640.db2.gz SURYFTWAIKWYGQ-ICSRJNTNSA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)C12CCC[NH+]1CCC2)C1C[NH+](CCCC2CCCC2)C1 ZINC000950727317 1334122564 /nfs/dbraw/zinc/12/25/64/1334122564.db2.gz KVSKNSRCMICZHA-UHFFFAOYSA-N 2 1 347.547 3.118 20 0 EGADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1C[NH+](CC2CCCCCC2)C1 ZINC000951380186 1334235316 /nfs/dbraw/zinc/23/53/16/1334235316.db2.gz OROAHMVXZNOTSF-HKUYNNGSSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968378069 1335910014 /nfs/dbraw/zinc/91/00/14/1335910014.db2.gz MYDYUCZRGYFZPC-AEFFLSMTSA-N 2 1 348.535 3.269 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968378069 1335910016 /nfs/dbraw/zinc/91/00/16/1335910016.db2.gz MYDYUCZRGYFZPC-AEFFLSMTSA-N 2 1 348.535 3.269 20 0 EGADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC000968676632 1336005697 /nfs/dbraw/zinc/00/56/97/1336005697.db2.gz NKMRSOOSRCIVGP-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1 ZINC000968882850 1336079271 /nfs/dbraw/zinc/07/92/71/1336079271.db2.gz VQMLTOIWWVTAQN-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CC1 ZINC000968882850 1336079275 /nfs/dbraw/zinc/07/92/75/1336079275.db2.gz VQMLTOIWWVTAQN-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCC1CC1 ZINC000968882850 1336079277 /nfs/dbraw/zinc/07/92/77/1336079277.db2.gz VQMLTOIWWVTAQN-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1Cc1ccccc1 ZINC000968920844 1336089661 /nfs/dbraw/zinc/08/96/61/1336089661.db2.gz ZQPJWUGELWWMNB-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1Cc1ccccc1 ZINC000968920844 1336089663 /nfs/dbraw/zinc/08/96/63/1336089663.db2.gz ZQPJWUGELWWMNB-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000968920844 1336089665 /nfs/dbraw/zinc/08/96/65/1336089665.db2.gz ZQPJWUGELWWMNB-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1Cc1ccccc1 ZINC000968920844 1336089669 /nfs/dbraw/zinc/08/96/69/1336089669.db2.gz ZQPJWUGELWWMNB-WOJBJXKFSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928629 1336093095 /nfs/dbraw/zinc/09/30/95/1336093095.db2.gz QHAJUOGTFYWPGW-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000968928629 1336093099 /nfs/dbraw/zinc/09/30/99/1336093099.db2.gz QHAJUOGTFYWPGW-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC000968928629 1336093101 /nfs/dbraw/zinc/09/31/01/1336093101.db2.gz QHAJUOGTFYWPGW-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC000968965423 1336104024 /nfs/dbraw/zinc/10/40/24/1336104024.db2.gz ONKAGWBJMNMKCA-LJQANCHMSA-N 2 1 345.531 3.175 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000968967450 1336104725 /nfs/dbraw/zinc/10/47/25/1336104725.db2.gz PQFDSELMXVSWOX-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCC2CC2)C1 ZINC000968991356 1336112405 /nfs/dbraw/zinc/11/24/05/1336112405.db2.gz YIOXPBIQNYNACL-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC2CC2)C1 ZINC000968991356 1336112406 /nfs/dbraw/zinc/11/24/06/1336112406.db2.gz YIOXPBIQNYNACL-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CCC2CC2)C1 ZINC000968991356 1336112407 /nfs/dbraw/zinc/11/24/07/1336112407.db2.gz YIOXPBIQNYNACL-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969100940 1336143752 /nfs/dbraw/zinc/14/37/52/1336143752.db2.gz MESRJTMGHVADCD-FQEVSTJZSA-N 2 1 349.563 3.434 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC2CCCCCC2)C1 ZINC000969144244 1336160747 /nfs/dbraw/zinc/16/07/47/1336160747.db2.gz HQMHKDNRSZQMIS-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC2CCCCCC2)C1 ZINC000969144244 1336160751 /nfs/dbraw/zinc/16/07/51/1336160751.db2.gz HQMHKDNRSZQMIS-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC2CCCCCC2)C1 ZINC000969144244 1336160752 /nfs/dbraw/zinc/16/07/52/1336160752.db2.gz HQMHKDNRSZQMIS-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C[C@H]1C[NH3+] ZINC001205305930 1370714991 /nfs/dbraw/zinc/71/49/91/1370714991.db2.gz UNWCAALHCSEMQC-VXGBXAGGSA-N 2 1 336.277 3.347 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000970528902 1336318086 /nfs/dbraw/zinc/31/80/86/1336318086.db2.gz JXQGIKYXJQKIMR-LPHOPBHVSA-N 2 1 349.563 3.122 20 0 EGADMP COc1cc(Br)cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205579549 1370798599 /nfs/dbraw/zinc/79/85/99/1370798599.db2.gz NUFMKSZCTVSWQO-OAHLLOKOSA-N 2 1 345.256 3.111 20 0 EGADMP CN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005581273 1336375132 /nfs/dbraw/zinc/37/51/32/1336375132.db2.gz KIPIQUPCRTVWKW-RTBURBONSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001005642568 1336386896 /nfs/dbraw/zinc/38/68/96/1336386896.db2.gz HZMQUGADFULCIP-AFMYVXGZSA-N 2 1 349.563 3.076 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C2CC[NH+](C[C@@H](C)CC)CC2)C1 ZINC001005869567 1336413319 /nfs/dbraw/zinc/41/33/19/1336413319.db2.gz ADVSUSNHJATVFV-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001005991899 1336435414 /nfs/dbraw/zinc/43/54/14/1336435414.db2.gz QGGBTBURZBIWOP-QZTJIDSGSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001005998009 1336435955 /nfs/dbraw/zinc/43/59/55/1336435955.db2.gz RDKNSCKZRXIZFS-GOSISDBHSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001006083529 1336449163 /nfs/dbraw/zinc/44/91/63/1336449163.db2.gz HIVUWCYMCHCOPF-IBGZPJMESA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CC3=CCCCC3)C2)C1 ZINC001007495533 1336657462 /nfs/dbraw/zinc/65/74/62/1336657462.db2.gz KXFAFSBUSBQEEF-PMACEKPBSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](CC3=CCCCC3)C2)C1 ZINC001007495533 1336657464 /nfs/dbraw/zinc/65/74/64/1336657464.db2.gz KXFAFSBUSBQEEF-PMACEKPBSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001007495533 1336657466 /nfs/dbraw/zinc/65/74/66/1336657466.db2.gz KXFAFSBUSBQEEF-PMACEKPBSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CC3=CCCCC3)C2)C1 ZINC001007495537 1336657655 /nfs/dbraw/zinc/65/76/55/1336657655.db2.gz KXFAFSBUSBQEEF-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](CC3=CCCCC3)C2)C1 ZINC001007495537 1336657657 /nfs/dbraw/zinc/65/76/57/1336657657.db2.gz KXFAFSBUSBQEEF-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001007495537 1336657658 /nfs/dbraw/zinc/65/76/58/1336657658.db2.gz KXFAFSBUSBQEEF-VQTJNVASSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007500147 1336658336 /nfs/dbraw/zinc/65/83/36/1336658336.db2.gz QYXIUDFYJJJUKO-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001007500147 1336658338 /nfs/dbraw/zinc/65/83/38/1336658338.db2.gz QYXIUDFYJJJUKO-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001007500147 1336658340 /nfs/dbraw/zinc/65/83/40/1336658340.db2.gz QYXIUDFYJJJUKO-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001007751552 1336695217 /nfs/dbraw/zinc/69/52/17/1336695217.db2.gz ZYWKZSXVTLEXIL-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001007751552 1336695219 /nfs/dbraw/zinc/69/52/19/1336695219.db2.gz ZYWKZSXVTLEXIL-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001007751552 1336695221 /nfs/dbraw/zinc/69/52/21/1336695221.db2.gz ZYWKZSXVTLEXIL-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001008042021 1336756653 /nfs/dbraw/zinc/75/66/53/1336756653.db2.gz ALCHNYOARRLULW-UXHICEINSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCC2CCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001008042025 1336756798 /nfs/dbraw/zinc/75/67/98/1336756798.db2.gz ALCHNYOARRLULW-VQTJNVASSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001008763209 1336922197 /nfs/dbraw/zinc/92/21/97/1336922197.db2.gz XWVPCJSSZARWIJ-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC3CCCC3)C2)cc1 ZINC001008879567 1336936533 /nfs/dbraw/zinc/93/65/33/1336936533.db2.gz DQHWZHQMKMAAAC-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP COc1cccc(Br)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206028255 1370943618 /nfs/dbraw/zinc/94/36/18/1370943618.db2.gz XXTJWFSHKLDCPS-STQMWFEESA-N 2 1 341.293 3.265 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001009625486 1337048647 /nfs/dbraw/zinc/04/86/47/1337048647.db2.gz DLMWRVBHDPZSAS-SFHVURJKSA-N 2 1 345.531 3.379 20 0 EGADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(O)cc(Br)c2)CC1 ZINC001206319157 1371019577 /nfs/dbraw/zinc/01/95/77/1371019577.db2.gz YPOWJMSAGKUKDP-OAHLLOKOSA-N 2 1 327.266 3.106 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014724633 1337885552 /nfs/dbraw/zinc/88/55/52/1337885552.db2.gz WDBOXNRBUCMUAN-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014724633 1337885554 /nfs/dbraw/zinc/88/55/54/1337885554.db2.gz WDBOXNRBUCMUAN-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014724633 1337885558 /nfs/dbraw/zinc/88/55/58/1337885558.db2.gz WDBOXNRBUCMUAN-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP O=C(N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001014911482 1337948382 /nfs/dbraw/zinc/94/83/82/1337948382.db2.gz UPCAFWBIBRAYIG-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001015622961 1338211721 /nfs/dbraw/zinc/21/17/21/1338211721.db2.gz MSTRHZNXGBHIKK-GOSISDBHSA-N 2 1 345.487 3.036 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001015622961 1338211728 /nfs/dbraw/zinc/21/17/28/1338211728.db2.gz MSTRHZNXGBHIKK-GOSISDBHSA-N 2 1 345.487 3.036 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001015706968 1338269167 /nfs/dbraw/zinc/26/91/67/1338269167.db2.gz YIJMPDABMVCQAQ-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001015706968 1338269172 /nfs/dbraw/zinc/26/91/72/1338269172.db2.gz YIJMPDABMVCQAQ-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)C1 ZINC001015706968 1338269173 /nfs/dbraw/zinc/26/91/73/1338269173.db2.gz YIJMPDABMVCQAQ-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H](C)[NH+]3CCCCCC3)C2)cs1 ZINC001015794856 1338314047 /nfs/dbraw/zinc/31/40/47/1338314047.db2.gz JOPXRDVHMSFOIG-FUHWJXTLSA-N 2 1 349.544 3.012 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(CC)CC)C1 ZINC001015971811 1338385529 /nfs/dbraw/zinc/38/55/29/1338385529.db2.gz DPLJFLAQDBOCQG-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001015971811 1338385531 /nfs/dbraw/zinc/38/55/31/1338385531.db2.gz DPLJFLAQDBOCQG-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001015971811 1338385537 /nfs/dbraw/zinc/38/55/37/1338385537.db2.gz DPLJFLAQDBOCQG-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001015976519 1338388462 /nfs/dbraw/zinc/38/84/62/1338388462.db2.gz NCKKAQUVVKWABD-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001015976519 1338388465 /nfs/dbraw/zinc/38/84/65/1338388465.db2.gz NCKKAQUVVKWABD-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001015976519 1338388470 /nfs/dbraw/zinc/38/84/70/1338388470.db2.gz NCKKAQUVVKWABD-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001015976519 1338388474 /nfs/dbraw/zinc/38/84/74/1338388474.db2.gz NCKKAQUVVKWABD-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016702136 1338696056 /nfs/dbraw/zinc/69/60/56/1338696056.db2.gz LBHDCSNXKFSZRZ-RBUKOAKNSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+](C)C(C)C)C1 ZINC001017247234 1338977809 /nfs/dbraw/zinc/97/78/09/1338977809.db2.gz VFGDPMZINRFVDO-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+](C)C(C)C)C1 ZINC001017247234 1338977812 /nfs/dbraw/zinc/97/78/12/1338977812.db2.gz VFGDPMZINRFVDO-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+](C)C(C)C)C1 ZINC001017247234 1338977814 /nfs/dbraw/zinc/97/78/14/1338977814.db2.gz VFGDPMZINRFVDO-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001018304629 1339569811 /nfs/dbraw/zinc/56/98/11/1339569811.db2.gz ISVAEKVZBRDTAT-YTQUADARSA-N 2 1 343.515 3.083 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(CC)CC)C1 ZINC001028088963 1340418009 /nfs/dbraw/zinc/41/80/09/1340418009.db2.gz RYABLWVLHAQRTF-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(CC)CC)C1 ZINC001028088963 1340418013 /nfs/dbraw/zinc/41/80/13/1340418013.db2.gz RYABLWVLHAQRTF-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC(CC)CC)C1 ZINC001028088963 1340418016 /nfs/dbraw/zinc/41/80/16/1340418016.db2.gz RYABLWVLHAQRTF-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCC2CCCCCC2)CC1 ZINC001028115222 1340436766 /nfs/dbraw/zinc/43/67/66/1340436766.db2.gz ANTWPFUREIGOEN-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001028181281 1340472128 /nfs/dbraw/zinc/47/21/28/1340472128.db2.gz QFRIEQGNODKRBT-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001028181281 1340472129 /nfs/dbraw/zinc/47/21/29/1340472129.db2.gz QFRIEQGNODKRBT-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001028181281 1340472130 /nfs/dbraw/zinc/47/21/30/1340472130.db2.gz QFRIEQGNODKRBT-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCC1 ZINC001028252366 1340513303 /nfs/dbraw/zinc/51/33/03/1340513303.db2.gz UZMBNHDUYQDQPQ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC1 ZINC001028252366 1340513307 /nfs/dbraw/zinc/51/33/07/1340513307.db2.gz UZMBNHDUYQDQPQ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCC1 ZINC001028252366 1340513316 /nfs/dbraw/zinc/51/33/16/1340513316.db2.gz UZMBNHDUYQDQPQ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC(C)C ZINC001028254623 1340515623 /nfs/dbraw/zinc/51/56/23/1340515623.db2.gz YOWCEGKTCNQWBM-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC(C)C ZINC001028254623 1340515625 /nfs/dbraw/zinc/51/56/25/1340515625.db2.gz YOWCEGKTCNQWBM-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC(C)C ZINC001028254623 1340515627 /nfs/dbraw/zinc/51/56/27/1340515627.db2.gz YOWCEGKTCNQWBM-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCC(C)C)o1 ZINC001028344106 1340583282 /nfs/dbraw/zinc/58/32/82/1340583282.db2.gz WAHQFVREUJNAPJ-QGZVFWFLSA-N 2 1 349.519 3.362 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[NH+](CC3=CCCCC3)C2)C1 ZINC001028757969 1340793391 /nfs/dbraw/zinc/79/33/91/1340793391.db2.gz CIOVSEZKPVMPMP-WOJBJXKFSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001028757969 1340793394 /nfs/dbraw/zinc/79/33/94/1340793394.db2.gz CIOVSEZKPVMPMP-WOJBJXKFSA-N 2 1 347.547 3.047 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001028757969 1340793397 /nfs/dbraw/zinc/79/33/97/1340793397.db2.gz CIOVSEZKPVMPMP-WOJBJXKFSA-N 2 1 347.547 3.047 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001028845586 1340857670 /nfs/dbraw/zinc/85/76/70/1340857670.db2.gz NCNCPAZYPXWIAF-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001028845586 1340857673 /nfs/dbraw/zinc/85/76/73/1340857673.db2.gz NCNCPAZYPXWIAF-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001028845586 1340857677 /nfs/dbraw/zinc/85/76/77/1340857677.db2.gz NCNCPAZYPXWIAF-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029013200 1340909564 /nfs/dbraw/zinc/90/95/64/1340909564.db2.gz VGSYJDXQUPQGEE-IAGOWNOFSA-N 2 1 349.519 3.219 20 0 EGADMP C[C@@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001029111537 1340932414 /nfs/dbraw/zinc/93/24/14/1340932414.db2.gz JVLVNMUGYVKRJS-APWZRJJASA-N 2 1 349.563 3.124 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001029359686 1340977102 /nfs/dbraw/zinc/97/71/02/1340977102.db2.gz HDOURUWBNPYVMV-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001029359686 1340977104 /nfs/dbraw/zinc/97/71/04/1340977104.db2.gz HDOURUWBNPYVMV-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001029359686 1340977107 /nfs/dbraw/zinc/97/71/07/1340977107.db2.gz HDOURUWBNPYVMV-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001029502897 1341002239 /nfs/dbraw/zinc/00/22/39/1341002239.db2.gz ASYGEOHKSYYQPG-QRVBRYPASA-N 2 1 349.563 3.362 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001029737583 1341058886 /nfs/dbraw/zinc/05/88/86/1341058886.db2.gz MGMNQWAWCZCSHY-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001029753245 1341063994 /nfs/dbraw/zinc/06/39/94/1341063994.db2.gz BHUCUZGPGBQVHI-QZTJIDSGSA-N 2 1 343.515 3.012 20 0 EGADMP CC1CC[NH+](CC(=O)N2CC[C@H](C[N@@H+](C)CC3CCCCC3)C2)CC1 ZINC001029875437 1341100946 /nfs/dbraw/zinc/10/09/46/1341100946.db2.gz JRSBQSZFCZWXIA-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CC(C)(C)C2)C1 ZINC001029910344 1341113718 /nfs/dbraw/zinc/11/37/18/1341113718.db2.gz HKNMURFBQIDOHG-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001029910344 1341113719 /nfs/dbraw/zinc/11/37/19/1341113719.db2.gz HKNMURFBQIDOHG-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001029910344 1341113720 /nfs/dbraw/zinc/11/37/20/1341113720.db2.gz HKNMURFBQIDOHG-HKUYNNGSSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@@H+]1CCC[C@H](C(=O)NC2C[NH+]([C@@H](CC)c3ccccc3)C2)C1 ZINC001030826142 1341231667 /nfs/dbraw/zinc/23/16/67/1341231667.db2.gz VOQVWGNYXJRSIT-ICSRJNTNSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC2C[NH+]([C@@H](CC)c3ccccc3)C2)C1 ZINC001030826142 1341231669 /nfs/dbraw/zinc/23/16/69/1341231669.db2.gz VOQVWGNYXJRSIT-ICSRJNTNSA-N 2 1 343.515 3.060 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001030832669 1341232763 /nfs/dbraw/zinc/23/27/63/1341232763.db2.gz GPWIGBXMVNGTCH-FQEVSTJZSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC1C[NH+](CCC2CCCC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001030832669 1341232764 /nfs/dbraw/zinc/23/27/64/1341232764.db2.gz GPWIGBXMVNGTCH-FQEVSTJZSA-N 2 1 347.547 3.164 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCCC2CCCC2)C1 ZINC001031234552 1341301278 /nfs/dbraw/zinc/30/12/78/1341301278.db2.gz CSSVBHLRNARRBB-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCCC2CCCC2)C1 ZINC001031234552 1341301283 /nfs/dbraw/zinc/30/12/83/1341301283.db2.gz CSSVBHLRNARRBB-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001031258958 1341306235 /nfs/dbraw/zinc/30/62/35/1341306235.db2.gz VTCNLGQYUVOGSE-SJORKVTESA-N 2 1 343.515 3.013 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001031258958 1341306237 /nfs/dbraw/zinc/30/62/37/1341306237.db2.gz VTCNLGQYUVOGSE-SJORKVTESA-N 2 1 343.515 3.013 20 0 EGADMP O=C(NCC1C[NH+](CCC2CCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001031729118 1341394092 /nfs/dbraw/zinc/39/40/92/1341394092.db2.gz AVSFHMDLYIBYOD-HXUWFJFHSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCCC2)C1 ZINC001032119004 1341458676 /nfs/dbraw/zinc/45/86/76/1341458676.db2.gz DZZQBUKNMQSOST-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCCC1 ZINC001032801994 1341619032 /nfs/dbraw/zinc/61/90/32/1341619032.db2.gz ORVWCERJLDMDEX-PMACEKPBSA-N 2 1 347.547 3.118 20 0 EGADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828360 1341628683 /nfs/dbraw/zinc/62/86/83/1341628683.db2.gz NSDYOKFUPZQBKJ-OKZBNKHCSA-N 2 1 349.906 3.076 20 0 EGADMP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032828360 1341628684 /nfs/dbraw/zinc/62/86/84/1341628684.db2.gz NSDYOKFUPZQBKJ-OKZBNKHCSA-N 2 1 349.906 3.076 20 0 EGADMP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032828360 1341628685 /nfs/dbraw/zinc/62/86/85/1341628685.db2.gz NSDYOKFUPZQBKJ-OKZBNKHCSA-N 2 1 349.906 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033070969 1341715396 /nfs/dbraw/zinc/71/53/96/1341715396.db2.gz UVJJJTAMCTXZJH-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033070969 1341715397 /nfs/dbraw/zinc/71/53/97/1341715397.db2.gz UVJJJTAMCTXZJH-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033070969 1341715399 /nfs/dbraw/zinc/71/53/99/1341715399.db2.gz UVJJJTAMCTXZJH-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCC3CCCCC3)C2)CC[N@H+]1C ZINC001033100453 1341722606 /nfs/dbraw/zinc/72/26/06/1341722606.db2.gz ZKWKOYKAVQJGMD-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001033100453 1341722607 /nfs/dbraw/zinc/72/26/07/1341722607.db2.gz ZKWKOYKAVQJGMD-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCC3CCCCC3)C2)CC[NH+]1C ZINC001033100453 1341722608 /nfs/dbraw/zinc/72/26/08/1341722608.db2.gz ZKWKOYKAVQJGMD-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033126392 1341733926 /nfs/dbraw/zinc/73/39/26/1341733926.db2.gz MPFKEOXISOXBJC-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033126392 1341733927 /nfs/dbraw/zinc/73/39/27/1341733927.db2.gz MPFKEOXISOXBJC-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033126392 1341733928 /nfs/dbraw/zinc/73/39/28/1341733928.db2.gz MPFKEOXISOXBJC-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033472656 1341840115 /nfs/dbraw/zinc/84/01/15/1341840115.db2.gz ZRRVAJGLHVMPDP-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033472656 1341840116 /nfs/dbraw/zinc/84/01/16/1341840116.db2.gz ZRRVAJGLHVMPDP-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033472656 1341840118 /nfs/dbraw/zinc/84/01/18/1341840118.db2.gz ZRRVAJGLHVMPDP-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001033593116 1341888475 /nfs/dbraw/zinc/88/84/75/1341888475.db2.gz GDQSXMPWSLMDKF-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001033593116 1341888476 /nfs/dbraw/zinc/88/84/76/1341888476.db2.gz GDQSXMPWSLMDKF-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001033593116 1341888477 /nfs/dbraw/zinc/88/84/77/1341888477.db2.gz GDQSXMPWSLMDKF-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)[C@@H]1C ZINC001074659098 1356221771 /nfs/dbraw/zinc/22/17/71/1356221771.db2.gz YYDSVDJWBNHXEH-BQFCYCMXSA-N 2 1 346.519 3.166 20 0 EGADMP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033989237 1342132855 /nfs/dbraw/zinc/13/28/55/1342132855.db2.gz MJQQYFRSUXJSOM-HXUWFJFHSA-N 2 1 343.515 3.085 20 0 EGADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC001034046734 1342186526 /nfs/dbraw/zinc/18/65/26/1342186526.db2.gz VABCTIMGQLHLDF-APWZRJJASA-N 2 1 349.494 3.033 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCCCC2)C1 ZINC001034131584 1342261206 /nfs/dbraw/zinc/26/12/06/1342261206.db2.gz NQFMDYFZKRDMSB-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCCCCC2)C1 ZINC001034131584 1342261208 /nfs/dbraw/zinc/26/12/08/1342261208.db2.gz NQFMDYFZKRDMSB-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCCCC2)C1 ZINC001034131584 1342261210 /nfs/dbraw/zinc/26/12/10/1342261210.db2.gz NQFMDYFZKRDMSB-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001034132963 1342262494 /nfs/dbraw/zinc/26/24/94/1342262494.db2.gz VPNPHAFRZZMPET-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001034132963 1342262496 /nfs/dbraw/zinc/26/24/96/1342262496.db2.gz VPNPHAFRZZMPET-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001034132963 1342262497 /nfs/dbraw/zinc/26/24/97/1342262497.db2.gz VPNPHAFRZZMPET-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCCC2)C1 ZINC001034136927 1342264274 /nfs/dbraw/zinc/26/42/74/1342264274.db2.gz MJIZREWWNZOJSP-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCCC2CCCC2)C1 ZINC001034136927 1342264278 /nfs/dbraw/zinc/26/42/78/1342264278.db2.gz MJIZREWWNZOJSP-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCC2CCCC2)C1 ZINC001034136927 1342264281 /nfs/dbraw/zinc/26/42/81/1342264281.db2.gz MJIZREWWNZOJSP-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034204493 1342315103 /nfs/dbraw/zinc/31/51/03/1342315103.db2.gz MZTYDGNGOSVNSV-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC001034204493 1342315106 /nfs/dbraw/zinc/31/51/06/1342315106.db2.gz MZTYDGNGOSVNSV-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC(C)(C)C)C1 ZINC001034204493 1342315108 /nfs/dbraw/zinc/31/51/08/1342315108.db2.gz MZTYDGNGOSVNSV-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034205138 1342316724 /nfs/dbraw/zinc/31/67/24/1342316724.db2.gz STZZDCDODSGLKS-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034205138 1342316728 /nfs/dbraw/zinc/31/67/28/1342316728.db2.gz STZZDCDODSGLKS-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034205138 1342316731 /nfs/dbraw/zinc/31/67/31/1342316731.db2.gz STZZDCDODSGLKS-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCCC[N@@H+](CCC2CC2)C1)[NH+]1CCCCC1 ZINC001034211501 1342321244 /nfs/dbraw/zinc/32/12/44/1342321244.db2.gz NKZVBXOGGZOSLK-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034269458 1342360325 /nfs/dbraw/zinc/36/03/25/1342360325.db2.gz DXGRUTKTFNYTFF-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034269458 1342360328 /nfs/dbraw/zinc/36/03/28/1342360328.db2.gz DXGRUTKTFNYTFF-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034269458 1342360331 /nfs/dbraw/zinc/36/03/31/1342360331.db2.gz DXGRUTKTFNYTFF-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034269458 1342360333 /nfs/dbraw/zinc/36/03/33/1342360333.db2.gz DXGRUTKTFNYTFF-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289022 1342374923 /nfs/dbraw/zinc/37/49/23/1342374923.db2.gz RPJFYSQCYMKKHA-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034289022 1342374927 /nfs/dbraw/zinc/37/49/27/1342374927.db2.gz RPJFYSQCYMKKHA-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034289022 1342374932 /nfs/dbraw/zinc/37/49/32/1342374932.db2.gz RPJFYSQCYMKKHA-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](CCC2CCCCC2)C1 ZINC001034310012 1342392533 /nfs/dbraw/zinc/39/25/33/1342392533.db2.gz RSENBOKZOWJYSR-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001034310012 1342392535 /nfs/dbraw/zinc/39/25/35/1342392535.db2.gz RSENBOKZOWJYSR-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340824 1342414250 /nfs/dbraw/zinc/41/42/50/1342414250.db2.gz VVWHIPVYJHWART-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034360476 1342431763 /nfs/dbraw/zinc/43/17/63/1342431763.db2.gz IYCZNPUPWIQNIA-PKOBYXMFSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034360476 1342431766 /nfs/dbraw/zinc/43/17/66/1342431766.db2.gz IYCZNPUPWIQNIA-PKOBYXMFSA-N 2 1 335.536 3.163 20 0 EGADMP CC(C)[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034360476 1342431768 /nfs/dbraw/zinc/43/17/68/1342431768.db2.gz IYCZNPUPWIQNIA-PKOBYXMFSA-N 2 1 335.536 3.163 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001034432215 1342494586 /nfs/dbraw/zinc/49/45/86/1342494586.db2.gz SRFOYIKLFWDKIX-LJQANCHMSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCCC2)C1 ZINC001034440021 1342501374 /nfs/dbraw/zinc/50/13/74/1342501374.db2.gz YIQYHGDKRVESOM-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC001034440021 1342501376 /nfs/dbraw/zinc/50/13/76/1342501376.db2.gz YIQYHGDKRVESOM-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCCC2)C1 ZINC001034440021 1342501382 /nfs/dbraw/zinc/50/13/82/1342501382.db2.gz YIQYHGDKRVESOM-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034474953 1342531024 /nfs/dbraw/zinc/53/10/24/1342531024.db2.gz NQDPVWDRHQQWNT-LJQANCHMSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529069 1342585818 /nfs/dbraw/zinc/58/58/18/1342585818.db2.gz WBKGANJODDWQLN-WOJBJXKFSA-N 2 1 343.515 3.204 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@@H+](CCCC2CCCC2)C1 ZINC001034528475 1342586223 /nfs/dbraw/zinc/58/62/23/1342586223.db2.gz NKWCMRKIZGQKOT-IBGZPJMESA-N 2 1 335.536 3.023 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2=CCCCC2)C1 ZINC001034537496 1342595656 /nfs/dbraw/zinc/59/56/56/1342595656.db2.gz CFLINYOBHRXZPB-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2=CCCCC2)C1 ZINC001034537496 1342595661 /nfs/dbraw/zinc/59/56/61/1342595661.db2.gz CFLINYOBHRXZPB-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2=CCCCC2)C1 ZINC001034537496 1342595664 /nfs/dbraw/zinc/59/56/64/1342595664.db2.gz CFLINYOBHRXZPB-VQTJNVASSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCCC[N@@H+](C/C=C/Cl)C2)c1 ZINC001034538690 1342596772 /nfs/dbraw/zinc/59/67/72/1342596772.db2.gz VILYILSUWAJJOO-WGLAMXGCSA-N 2 1 349.906 3.085 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(C)(C)C3)CC2)CC[N@H+]1C ZINC001034649473 1342669840 /nfs/dbraw/zinc/66/98/40/1342669840.db2.gz KCQFDHZSDWSYNY-CADBVGFASA-N 2 1 349.563 3.170 20 0 EGADMP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1ccccc1 ZINC001034792008 1342760953 /nfs/dbraw/zinc/76/09/53/1342760953.db2.gz BPUUEIRFKDRQKX-WTGUMLROSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001034934531 1342843355 /nfs/dbraw/zinc/84/33/55/1342843355.db2.gz PUGMGZDFOCGIDC-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C[N@H+]1CCC(C)(C)C1)c1ccccc1 ZINC001035048865 1342898653 /nfs/dbraw/zinc/89/86/53/1342898653.db2.gz ZWROUGKHLGWTBM-IEBWSBKVSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035184613 1342998938 /nfs/dbraw/zinc/99/89/38/1342998938.db2.gz FQFNUADDGXIFIQ-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035184613 1342998940 /nfs/dbraw/zinc/99/89/40/1342998940.db2.gz FQFNUADDGXIFIQ-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035184613 1342998942 /nfs/dbraw/zinc/99/89/42/1342998942.db2.gz FQFNUADDGXIFIQ-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CC[NH+](C[C@@H](C)CC)C2)CC1 ZINC001035189201 1343002866 /nfs/dbraw/zinc/00/28/66/1343002866.db2.gz XYCRBDGWXKTWJH-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC2(CC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001035189201 1343002868 /nfs/dbraw/zinc/00/28/68/1343002868.db2.gz XYCRBDGWXKTWJH-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](C[C@@H](C)CC)C2)CC1 ZINC001035189201 1343002870 /nfs/dbraw/zinc/00/28/70/1343002870.db2.gz XYCRBDGWXKTWJH-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)CC2 ZINC001035196824 1343010090 /nfs/dbraw/zinc/01/00/90/1343010090.db2.gz DPNAGRLRIHDUAS-OALUTQOASA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@@H+]31)CC2 ZINC001035196824 1343010091 /nfs/dbraw/zinc/01/00/91/1343010091.db2.gz DPNAGRLRIHDUAS-OALUTQOASA-N 2 1 347.547 3.118 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)CC2 ZINC001035196824 1343010096 /nfs/dbraw/zinc/01/00/96/1343010096.db2.gz DPNAGRLRIHDUAS-OALUTQOASA-N 2 1 347.547 3.118 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC2(CC[N@@H+](C(C)C)C2)CC1 ZINC001035233999 1343056278 /nfs/dbraw/zinc/05/62/78/1343056278.db2.gz RNLSHUGHFGYHKC-UHFFFAOYSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC2(CC[N@H+](C(C)C)C2)CC1 ZINC001035233999 1343056280 /nfs/dbraw/zinc/05/62/80/1343056280.db2.gz RNLSHUGHFGYHKC-UHFFFAOYSA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244074 1343065641 /nfs/dbraw/zinc/06/56/41/1343065641.db2.gz ILWPFMDJZRASSI-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035248715 1343072046 /nfs/dbraw/zinc/07/20/46/1343072046.db2.gz GTROKKKHDGYSPL-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036903240 1343849873 /nfs/dbraw/zinc/84/98/73/1343849873.db2.gz XNEZBJZTYHVGPF-ICSRJNTNSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCCC1 ZINC001038241027 1344339515 /nfs/dbraw/zinc/33/95/15/1344339515.db2.gz SBBOHPLZDQXJBA-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCCC1 ZINC001038241027 1344339517 /nfs/dbraw/zinc/33/95/17/1344339517.db2.gz SBBOHPLZDQXJBA-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001038241027 1344339521 /nfs/dbraw/zinc/33/95/21/1344339521.db2.gz SBBOHPLZDQXJBA-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001038319591 1344377747 /nfs/dbraw/zinc/37/77/47/1344377747.db2.gz AWULTWOEASDAJM-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001038319591 1344377750 /nfs/dbraw/zinc/37/77/50/1344377750.db2.gz AWULTWOEASDAJM-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001038319591 1344377756 /nfs/dbraw/zinc/37/77/56/1344377756.db2.gz AWULTWOEASDAJM-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001038319599 1344378044 /nfs/dbraw/zinc/37/80/44/1344378044.db2.gz AWULTWOEASDAJM-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001038319599 1344378046 /nfs/dbraw/zinc/37/80/46/1344378046.db2.gz AWULTWOEASDAJM-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001038319599 1344378048 /nfs/dbraw/zinc/37/80/48/1344378048.db2.gz AWULTWOEASDAJM-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038462437 1344434248 /nfs/dbraw/zinc/43/42/48/1344434248.db2.gz LRNXJBKNTUYLKC-AEFFLSMTSA-N 2 1 348.450 3.208 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038620148 1344508254 /nfs/dbraw/zinc/50/82/54/1344508254.db2.gz CDFUIVDOAUQDCC-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038620148 1344508256 /nfs/dbraw/zinc/50/82/56/1344508256.db2.gz CDFUIVDOAUQDCC-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001038620148 1344508259 /nfs/dbraw/zinc/50/82/59/1344508259.db2.gz CDFUIVDOAUQDCC-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001038780505 1344581480 /nfs/dbraw/zinc/58/14/80/1344581480.db2.gz LKQRMULBSFVBBD-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001038780505 1344581484 /nfs/dbraw/zinc/58/14/84/1344581484.db2.gz LKQRMULBSFVBBD-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCC1 ZINC001038780505 1344581487 /nfs/dbraw/zinc/58/14/87/1344581487.db2.gz LKQRMULBSFVBBD-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001038908380 1344646188 /nfs/dbraw/zinc/64/61/88/1344646188.db2.gz JGGYUWWHASZJAD-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001038908380 1344646191 /nfs/dbraw/zinc/64/61/91/1344646191.db2.gz JGGYUWWHASZJAD-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001038908380 1344646193 /nfs/dbraw/zinc/64/61/93/1344646193.db2.gz JGGYUWWHASZJAD-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039133975 1344812520 /nfs/dbraw/zinc/81/25/20/1344812520.db2.gz NEUPVMGUGHODMU-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001039133975 1344812530 /nfs/dbraw/zinc/81/25/30/1344812530.db2.gz NEUPVMGUGHODMU-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001039133975 1344812536 /nfs/dbraw/zinc/81/25/36/1344812536.db2.gz NEUPVMGUGHODMU-IEBWSBKVSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CC[NH+](CC)C2)CC1 ZINC001039185731 1344885179 /nfs/dbraw/zinc/88/51/79/1344885179.db2.gz WDXLQKYUGIVAFW-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CC)C2)CC1 ZINC001039185731 1344885183 /nfs/dbraw/zinc/88/51/83/1344885183.db2.gz WDXLQKYUGIVAFW-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001039185731 1344885192 /nfs/dbraw/zinc/88/51/92/1344885192.db2.gz WDXLQKYUGIVAFW-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039220396 1344937743 /nfs/dbraw/zinc/93/77/43/1344937743.db2.gz YZHIYVJMYYAOFP-PKOBYXMFSA-N 2 1 340.471 3.059 20 0 EGADMP CC(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039235231 1344956234 /nfs/dbraw/zinc/95/62/34/1344956234.db2.gz VSORCWCKKWMUOE-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001039235231 1344956237 /nfs/dbraw/zinc/95/62/37/1344956237.db2.gz VSORCWCKKWMUOE-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039235231 1344956241 /nfs/dbraw/zinc/95/62/41/1344956241.db2.gz VSORCWCKKWMUOE-OALUTQOASA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001039377403 1345034395 /nfs/dbraw/zinc/03/43/95/1345034395.db2.gz WFBSGZRFWRZPJI-KSZLIROESA-N 2 1 346.519 3.262 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001039377403 1345034398 /nfs/dbraw/zinc/03/43/98/1345034398.db2.gz WFBSGZRFWRZPJI-KSZLIROESA-N 2 1 346.519 3.262 20 0 EGADMP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001039474926 1345089356 /nfs/dbraw/zinc/08/93/56/1345089356.db2.gz PIESATWHYOMZCD-HSALFYBXSA-N 2 1 343.515 3.155 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001039474926 1345089358 /nfs/dbraw/zinc/08/93/58/1345089358.db2.gz PIESATWHYOMZCD-HSALFYBXSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CC1 ZINC001039643969 1345152434 /nfs/dbraw/zinc/15/24/34/1345152434.db2.gz JCUUQGAUTJASMM-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001039643969 1345152439 /nfs/dbraw/zinc/15/24/39/1345152439.db2.gz JCUUQGAUTJASMM-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001039643969 1345152442 /nfs/dbraw/zinc/15/24/42/1345152442.db2.gz JCUUQGAUTJASMM-SLFFLAALSA-N 2 1 347.547 3.115 20 0 EGADMP CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccccc1)[NH+](C)C ZINC001039681449 1345157605 /nfs/dbraw/zinc/15/76/05/1345157605.db2.gz CSIPGDLNPAMKNX-IJXRJRJASA-N 2 1 343.515 3.153 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001039914576 1345245199 /nfs/dbraw/zinc/24/51/99/1345245199.db2.gz UMHKQBNEAOCWBM-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001039914576 1345245204 /nfs/dbraw/zinc/24/52/04/1345245204.db2.gz UMHKQBNEAOCWBM-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001039914576 1345245208 /nfs/dbraw/zinc/24/52/08/1345245208.db2.gz UMHKQBNEAOCWBM-YSIASYRMSA-N 2 1 347.547 3.116 20 0 EGADMP CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC(C)(C)C1)C2)[NH+](C)C ZINC001040260975 1345401077 /nfs/dbraw/zinc/40/10/77/1345401077.db2.gz JRZVSQSUKGBMBQ-WIYYLYMNSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC(C)(C)C)C2)[NH+](C)C ZINC001040398963 1345476424 /nfs/dbraw/zinc/47/64/24/1345476424.db2.gz MRKNLXXSDFIVDX-PXNSSMCTSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040463530 1345509956 /nfs/dbraw/zinc/50/99/56/1345509956.db2.gz HEDZHDRCAFECFW-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040701727 1345567700 /nfs/dbraw/zinc/56/77/00/1345567700.db2.gz OLNJWVSESIGIBS-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001041373877 1345711187 /nfs/dbraw/zinc/71/11/87/1345711187.db2.gz YPJXNPMYWDREKD-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001041373877 1345711189 /nfs/dbraw/zinc/71/11/89/1345711189.db2.gz YPJXNPMYWDREKD-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001041373877 1345711193 /nfs/dbraw/zinc/71/11/93/1345711193.db2.gz YPJXNPMYWDREKD-WIYYLYMNSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433179 1345726545 /nfs/dbraw/zinc/72/65/45/1345726545.db2.gz WBMIXQPZOQAWRC-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041433179 1345726548 /nfs/dbraw/zinc/72/65/48/1345726548.db2.gz WBMIXQPZOQAWRC-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041433179 1345726551 /nfs/dbraw/zinc/72/65/51/1345726551.db2.gz WBMIXQPZOQAWRC-FPOVZHCZSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCCCC3)C2)C1)[NH+](C)C ZINC001041692806 1345821327 /nfs/dbraw/zinc/82/13/27/1345821327.db2.gz OFADFPMZSSJNNY-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042367972 1346059382 /nfs/dbraw/zinc/05/93/82/1346059382.db2.gz NBTQGQXDSZSNGQ-PXNSSMCTSA-N 2 1 343.515 3.085 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001042714945 1346109521 /nfs/dbraw/zinc/10/95/21/1346109521.db2.gz HSXVFBIXBMDMSS-LJQANCHMSA-N 2 1 349.563 3.218 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1C[NH+](CCCC2CCC2)C1 ZINC001042926967 1346125000 /nfs/dbraw/zinc/12/50/00/1346125000.db2.gz IHIONUHYPIUDGC-FQEVSTJZSA-N 2 1 347.547 3.116 20 0 EGADMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1C[NH+](CCCC2CCC2)C1 ZINC001042926967 1346125002 /nfs/dbraw/zinc/12/50/02/1346125002.db2.gz IHIONUHYPIUDGC-FQEVSTJZSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001042924331 1346125190 /nfs/dbraw/zinc/12/51/90/1346125190.db2.gz QCJOUXJJKCNULF-HKUYNNGSSA-N 2 1 343.515 3.153 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001042924331 1346125193 /nfs/dbraw/zinc/12/51/93/1346125193.db2.gz QCJOUXJJKCNULF-HKUYNNGSSA-N 2 1 343.515 3.153 20 0 EGADMP CN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1C[NH+](CC2CCCCCC2)C1 ZINC001044034160 1346237063 /nfs/dbraw/zinc/23/70/63/1346237063.db2.gz GIKBEXFAIKFQHS-AZUAARDMSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001044628682 1346386997 /nfs/dbraw/zinc/38/69/97/1346386997.db2.gz IQWZFGJOHYPPPR-PKOBYXMFSA-N 2 1 347.547 3.330 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001044745777 1346418879 /nfs/dbraw/zinc/41/88/79/1346418879.db2.gz ZQZVRRPHELHEII-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]([NH2+]CCC2CC2)C[C@H]1C ZINC001044768328 1346424698 /nfs/dbraw/zinc/42/46/98/1346424698.db2.gz VDSNCGDUDMDRND-AEFFLSMTSA-N 2 1 346.519 3.166 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045104313 1346495394 /nfs/dbraw/zinc/49/53/94/1346495394.db2.gz YLCUZFKDDSZNMW-PMACEKPBSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1)c1ccccc1 ZINC001045322616 1346559878 /nfs/dbraw/zinc/55/98/78/1346559878.db2.gz RTEXMMJTTLXFMC-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001045438111 1346594193 /nfs/dbraw/zinc/59/41/93/1346594193.db2.gz JNQZZQMWKDEGTA-LJQANCHMSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045937716 1346773362 /nfs/dbraw/zinc/77/33/62/1346773362.db2.gz INIXDCHUTFWZMA-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045937716 1346773366 /nfs/dbraw/zinc/77/33/66/1346773366.db2.gz INIXDCHUTFWZMA-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001045937716 1346773367 /nfs/dbraw/zinc/77/33/67/1346773367.db2.gz INIXDCHUTFWZMA-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001045942096 1346777681 /nfs/dbraw/zinc/77/76/81/1346777681.db2.gz REDKZQGFYVJACD-IBGZPJMESA-N 2 1 349.544 3.148 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045949136 1346784177 /nfs/dbraw/zinc/78/41/77/1346784177.db2.gz YLIKJBYXSHBORM-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001045949136 1346784180 /nfs/dbraw/zinc/78/41/80/1346784180.db2.gz YLIKJBYXSHBORM-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001045949136 1346784181 /nfs/dbraw/zinc/78/41/81/1346784181.db2.gz YLIKJBYXSHBORM-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001045952743 1346788181 /nfs/dbraw/zinc/78/81/81/1346788181.db2.gz SANPKIJHFHBGCG-FQEVSTJZSA-N 2 1 340.471 3.063 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960447 1346795391 /nfs/dbraw/zinc/79/53/91/1346795391.db2.gz KBQAWJDDJQTHFY-GHTZIAJQSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCCC2CCC2)C1 ZINC001046316776 1346932230 /nfs/dbraw/zinc/93/22/30/1346932230.db2.gz RDQSKNJFNAACHH-AZUAARDMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCCC2CCC2)C1 ZINC001046316776 1346932232 /nfs/dbraw/zinc/93/22/32/1346932232.db2.gz RDQSKNJFNAACHH-AZUAARDMSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCCC2CCC2)C1 ZINC001046316776 1346932233 /nfs/dbraw/zinc/93/22/33/1346932233.db2.gz RDQSKNJFNAACHH-AZUAARDMSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001046330693 1346936208 /nfs/dbraw/zinc/93/62/08/1346936208.db2.gz QCPJORPDGUXBSR-ZVDOUQERSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001046330693 1346936210 /nfs/dbraw/zinc/93/62/10/1346936210.db2.gz QCPJORPDGUXBSR-ZVDOUQERSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001046330693 1346936212 /nfs/dbraw/zinc/93/62/12/1346936212.db2.gz QCPJORPDGUXBSR-ZVDOUQERSA-N 2 1 347.547 3.188 20 0 EGADMP Cc1cccc(C[N@H+]2CC[C@@](C)(NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001046486833 1346991771 /nfs/dbraw/zinc/99/17/71/1346991771.db2.gz LWGLMNCGWVNOGN-OAQYLSRUSA-N 2 1 348.450 3.037 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@](C)(NC(=O)c3ccc4c[nH+]cn4c3)C2)cc1 ZINC001046487109 1346992212 /nfs/dbraw/zinc/99/22/12/1346992212.db2.gz OKEAVWOYHGKUHA-OAQYLSRUSA-N 2 1 348.450 3.037 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@]2(C)CC[NH+](CC3CCCCC3)C2)C1 ZINC001046561449 1347017738 /nfs/dbraw/zinc/01/77/38/1347017738.db2.gz GURSDQPLFZLHGF-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@]2(C)CC[N@H+](CC3CCCCC3)C2)C1 ZINC001046561449 1347017741 /nfs/dbraw/zinc/01/77/41/1347017741.db2.gz GURSDQPLFZLHGF-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001046561449 1347017742 /nfs/dbraw/zinc/01/77/42/1347017742.db2.gz GURSDQPLFZLHGF-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001046739626 1347077712 /nfs/dbraw/zinc/07/77/12/1347077712.db2.gz RMTMQWWEUWYYRO-FQEVSTJZSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@]1(NC(=O)[C@@]23CC[NH+](C2)CCC3)CC[N@@H+](CC2CCCCCC2)C1 ZINC001046806176 1347111373 /nfs/dbraw/zinc/11/13/73/1347111373.db2.gz QNHKTFTYZUXZGW-RTWAWAEBSA-N 2 1 347.547 3.023 20 0 EGADMP C[C@@]1(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC[NH+](CC2CCCCCC2)C1 ZINC001046806176 1347111381 /nfs/dbraw/zinc/11/13/81/1347111381.db2.gz QNHKTFTYZUXZGW-RTWAWAEBSA-N 2 1 347.547 3.023 20 0 EGADMP C[C@@]1(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC[NH+](CC2CCCCCC2)C1 ZINC001046806176 1347111384 /nfs/dbraw/zinc/11/13/84/1347111384.db2.gz QNHKTFTYZUXZGW-RTWAWAEBSA-N 2 1 347.547 3.023 20 0 EGADMP CC(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001047257780 1347280555 /nfs/dbraw/zinc/28/05/55/1347280555.db2.gz UDJXLDQZFIFCGY-QUCCMNQESA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698155 1357350776 /nfs/dbraw/zinc/35/07/76/1357350776.db2.gz MAFUISKGBJQTBJ-IEBWSBKVSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCCCCC3)C[C@H]2C)CC[N@H+]1C ZINC001079730723 1357360721 /nfs/dbraw/zinc/36/07/21/1357360721.db2.gz LGENZNVTZDDKLA-GSEOLPGOSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCCCCC3)C[C@H]2C)CC[NH+]1C ZINC001079730723 1357360725 /nfs/dbraw/zinc/36/07/25/1357360725.db2.gz LGENZNVTZDDKLA-GSEOLPGOSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@H]2C)CC[NH+]1C ZINC001079730723 1357360731 /nfs/dbraw/zinc/36/07/31/1357360731.db2.gz LGENZNVTZDDKLA-GSEOLPGOSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001048527531 1347578389 /nfs/dbraw/zinc/57/83/89/1347578389.db2.gz ROTZOEHDIYDJAM-KNJMJIDISA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001048527531 1347578391 /nfs/dbraw/zinc/57/83/91/1347578391.db2.gz ROTZOEHDIYDJAM-KNJMJIDISA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001048527531 1347578392 /nfs/dbraw/zinc/57/83/92/1347578392.db2.gz ROTZOEHDIYDJAM-KNJMJIDISA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001048527812 1347578779 /nfs/dbraw/zinc/57/87/79/1347578779.db2.gz WAHQSVPAGFFMHS-IYWMVGAKSA-N 2 1 347.547 3.185 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001048527812 1347578782 /nfs/dbraw/zinc/57/87/82/1347578782.db2.gz WAHQSVPAGFFMHS-IYWMVGAKSA-N 2 1 347.547 3.185 20 0 EGADMP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001048527812 1347578784 /nfs/dbraw/zinc/57/87/84/1347578784.db2.gz WAHQSVPAGFFMHS-IYWMVGAKSA-N 2 1 347.547 3.185 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001048572588 1347598638 /nfs/dbraw/zinc/59/86/38/1347598638.db2.gz NPLOEYYQDULICS-IYWMVGAKSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001048572588 1347598640 /nfs/dbraw/zinc/59/86/40/1347598640.db2.gz NPLOEYYQDULICS-IYWMVGAKSA-N 2 1 349.563 3.265 20 0 EGADMP CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001048574729 1347600322 /nfs/dbraw/zinc/60/03/22/1347600322.db2.gz QLNZABAJVDKMKT-FNLKRUPLSA-N 2 1 343.515 3.131 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CC3)CC2)C1 ZINC001048615421 1347619043 /nfs/dbraw/zinc/61/90/43/1347619043.db2.gz DXVQLQKLNMXPTH-UFYCRDLUSA-N 2 1 349.563 3.031 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510668 1347885363 /nfs/dbraw/zinc/88/53/63/1347885363.db2.gz IKARGRKKJXYDQB-DLBZAZTESA-N 2 1 349.544 3.289 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510668 1347885365 /nfs/dbraw/zinc/88/53/65/1347885365.db2.gz IKARGRKKJXYDQB-DLBZAZTESA-N 2 1 349.544 3.289 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCC1CCC1)C1CCC1 ZINC001049521962 1347889904 /nfs/dbraw/zinc/88/99/04/1347889904.db2.gz NCZXLPHVHNKGDP-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC1CCC1)C1CCC1 ZINC001049521962 1347889907 /nfs/dbraw/zinc/88/99/07/1347889907.db2.gz NCZXLPHVHNKGDP-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC1CCC1)C1CCC1 ZINC001049521962 1347889910 /nfs/dbraw/zinc/88/99/10/1347889910.db2.gz NCZXLPHVHNKGDP-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563199 1347911121 /nfs/dbraw/zinc/91/11/21/1347911121.db2.gz CXQUAKQMACYNHC-ZWKOTPCHSA-N 2 1 335.536 3.115 20 0 EGADMP CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049563199 1347911124 /nfs/dbraw/zinc/91/11/24/1347911124.db2.gz CXQUAKQMACYNHC-ZWKOTPCHSA-N 2 1 335.536 3.115 20 0 EGADMP CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563199 1347911125 /nfs/dbraw/zinc/91/11/25/1347911125.db2.gz CXQUAKQMACYNHC-ZWKOTPCHSA-N 2 1 335.536 3.115 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049674362 1347967276 /nfs/dbraw/zinc/96/72/76/1347967276.db2.gz CDSVFBWIZMNKSL-RYQLBKOJSA-N 2 1 347.503 3.066 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049674362 1347967277 /nfs/dbraw/zinc/96/72/77/1347967277.db2.gz CDSVFBWIZMNKSL-RYQLBKOJSA-N 2 1 347.503 3.066 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1=CCCCC1)[NH+](C)C ZINC001049726132 1347991340 /nfs/dbraw/zinc/99/13/40/1347991340.db2.gz CPIBONFWKGIVEC-UFYCRDLUSA-N 2 1 347.547 3.282 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC(C)C ZINC001049837162 1348049940 /nfs/dbraw/zinc/04/99/40/1348049940.db2.gz OFBBZVANYNINQR-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(C)C ZINC001049837162 1348049942 /nfs/dbraw/zinc/04/99/42/1348049942.db2.gz OFBBZVANYNINQR-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(C)C ZINC001049837162 1348049946 /nfs/dbraw/zinc/04/99/46/1348049946.db2.gz OFBBZVANYNINQR-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001050175696 1348203019 /nfs/dbraw/zinc/20/30/19/1348203019.db2.gz YEPFGISSZHKQQE-VQTJNVASSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001050252431 1348218813 /nfs/dbraw/zinc/21/88/13/1348218813.db2.gz KDBXNGCEOZTNSX-WOJBJXKFSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001050252431 1348218816 /nfs/dbraw/zinc/21/88/16/1348218816.db2.gz KDBXNGCEOZTNSX-WOJBJXKFSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001050252431 1348218818 /nfs/dbraw/zinc/21/88/18/1348218818.db2.gz KDBXNGCEOZTNSX-WOJBJXKFSA-N 2 1 343.515 3.160 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052394935 1348539630 /nfs/dbraw/zinc/53/96/30/1348539630.db2.gz IAHHVFJGPRURNQ-CEXWTWQISA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001052394935 1348539632 /nfs/dbraw/zinc/53/96/32/1348539632.db2.gz IAHHVFJGPRURNQ-CEXWTWQISA-N 2 1 337.552 3.124 20 0 EGADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001052394935 1348539633 /nfs/dbraw/zinc/53/96/33/1348539633.db2.gz IAHHVFJGPRURNQ-CEXWTWQISA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052446646 1348542893 /nfs/dbraw/zinc/54/28/93/1348542893.db2.gz MXAKYMBYWAKRHZ-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001052446646 1348542894 /nfs/dbraw/zinc/54/28/94/1348542894.db2.gz MXAKYMBYWAKRHZ-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001052446646 1348542896 /nfs/dbraw/zinc/54/28/96/1348542896.db2.gz MXAKYMBYWAKRHZ-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001052530326 1348567048 /nfs/dbraw/zinc/56/70/48/1348567048.db2.gz WTSBMZATASXHJT-LJQANCHMSA-N 2 1 347.547 3.166 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccc2c[nH+]cn2c1 ZINC001052561964 1348579914 /nfs/dbraw/zinc/57/99/14/1348579914.db2.gz GMXXXHFSOPUWSA-IBGZPJMESA-N 2 1 348.450 3.119 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC001052620477 1348597827 /nfs/dbraw/zinc/59/78/27/1348597827.db2.gz OHSTXDYEWKGBNL-IBGZPJMESA-N 2 1 343.515 3.032 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001052663013 1348618360 /nfs/dbraw/zinc/61/83/60/1348618360.db2.gz MKEDWTZHDSZATJ-KRWDZBQOSA-N 2 1 349.519 3.362 20 0 EGADMP CCCC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052708553 1348643678 /nfs/dbraw/zinc/64/36/78/1348643678.db2.gz CYVSSCHSFJGIKN-FQEVSTJZSA-N 2 1 345.531 3.175 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052763713 1348669004 /nfs/dbraw/zinc/66/90/04/1348669004.db2.gz JCVPSMGAGRCSQD-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001052763713 1348669009 /nfs/dbraw/zinc/66/90/09/1348669009.db2.gz JCVPSMGAGRCSQD-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001052763713 1348669012 /nfs/dbraw/zinc/66/90/12/1348669012.db2.gz JCVPSMGAGRCSQD-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC001052764377 1348669227 /nfs/dbraw/zinc/66/92/27/1348669227.db2.gz NSCHIMJROIMJOR-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC001052764377 1348669231 /nfs/dbraw/zinc/66/92/31/1348669231.db2.gz NSCHIMJROIMJOR-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC001052764377 1348669235 /nfs/dbraw/zinc/66/92/35/1348669235.db2.gz NSCHIMJROIMJOR-MOPGFXCFSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC)CC1 ZINC001052860429 1348706074 /nfs/dbraw/zinc/70/60/74/1348706074.db2.gz TZUMSYAZCVVVKI-RTBURBONSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC)CC1 ZINC001052860429 1348706075 /nfs/dbraw/zinc/70/60/75/1348706075.db2.gz TZUMSYAZCVVVKI-RTBURBONSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC)CC1 ZINC001052860429 1348706077 /nfs/dbraw/zinc/70/60/77/1348706077.db2.gz TZUMSYAZCVVVKI-RTBURBONSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052859799 1348706129 /nfs/dbraw/zinc/70/61/29/1348706129.db2.gz NJOSFXQYXASLDH-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001052859799 1348706130 /nfs/dbraw/zinc/70/61/30/1348706130.db2.gz NJOSFXQYXASLDH-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001052859799 1348706131 /nfs/dbraw/zinc/70/61/31/1348706131.db2.gz NJOSFXQYXASLDH-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H](F)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052954967 1348768947 /nfs/dbraw/zinc/76/89/47/1348768947.db2.gz XKDUMRMMPJVQSY-RTBURBONSA-N 2 1 349.494 3.081 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC001052959740 1348772623 /nfs/dbraw/zinc/77/26/23/1348772623.db2.gz XETNYAIZTXHEIR-SCBHQAGPSA-N 2 1 349.906 3.085 20 0 EGADMP CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCC2CCCCC2)CC1 ZINC001052985422 1348788732 /nfs/dbraw/zinc/78/87/32/1348788732.db2.gz MJJTXCMGHYXRGE-OYRHEFFESA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053042405 1348843858 /nfs/dbraw/zinc/84/38/58/1348843858.db2.gz PSPVPDIRDZFCMD-VQTJNVASSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096716 1348926726 /nfs/dbraw/zinc/92/67/26/1348926726.db2.gz YPJATHPPOHWFSU-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209168 1349211001 /nfs/dbraw/zinc/21/10/01/1349211001.db2.gz KPXDYPMWUTZBPI-RXVVDRJESA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CC=C(C)C)C2)C1 ZINC001054244350 1349237524 /nfs/dbraw/zinc/23/75/24/1349237524.db2.gz DHHZVMJGCYPHGN-FPOVZHCZSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC=C(C)C)C2)C1 ZINC001054244350 1349237527 /nfs/dbraw/zinc/23/75/27/1349237527.db2.gz DHHZVMJGCYPHGN-FPOVZHCZSA-N 2 1 347.547 3.142 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC=C(C)C)C2)C1 ZINC001054244350 1349237530 /nfs/dbraw/zinc/23/75/30/1349237530.db2.gz DHHZVMJGCYPHGN-FPOVZHCZSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](C(C)C)C2 ZINC001054272016 1349272080 /nfs/dbraw/zinc/27/20/80/1349272080.db2.gz AZPXHWAZFMHZIW-FQEVSTJZSA-N 2 1 343.515 3.147 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](C(C)C)C2 ZINC001054272016 1349272082 /nfs/dbraw/zinc/27/20/82/1349272082.db2.gz AZPXHWAZFMHZIW-FQEVSTJZSA-N 2 1 343.515 3.147 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](C(C)C)C2 ZINC001054272016 1349272083 /nfs/dbraw/zinc/27/20/83/1349272083.db2.gz AZPXHWAZFMHZIW-FQEVSTJZSA-N 2 1 343.515 3.147 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001080455999 1357625289 /nfs/dbraw/zinc/62/52/89/1357625289.db2.gz HLYPDODUKLBKKQ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001080455999 1357625294 /nfs/dbraw/zinc/62/52/94/1357625294.db2.gz HLYPDODUKLBKKQ-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1C ZINC001080557194 1357678386 /nfs/dbraw/zinc/67/83/86/1357678386.db2.gz JVBVDYOOVJTDQU-KURKYZTESA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001080557194 1357678388 /nfs/dbraw/zinc/67/83/88/1357678388.db2.gz JVBVDYOOVJTDQU-KURKYZTESA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001080557194 1357678390 /nfs/dbraw/zinc/67/83/90/1357678390.db2.gz JVBVDYOOVJTDQU-KURKYZTESA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071507989 1354732257 /nfs/dbraw/zinc/73/22/57/1354732257.db2.gz FXGOAIKBQKIUHB-ROUUACIJSA-N 2 1 335.536 3.186 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[N@@H+]1CC1CCC1 ZINC001071545679 1354757852 /nfs/dbraw/zinc/75/78/52/1354757852.db2.gz CKBBDJAAKJHPKV-PBHICJAKSA-N 2 1 349.544 3.193 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[N@H+]1CC1CCC1 ZINC001071545679 1354757854 /nfs/dbraw/zinc/75/78/54/1354757854.db2.gz CKBBDJAAKJHPKV-PBHICJAKSA-N 2 1 349.544 3.193 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[N@@H+]1CC1CCC1 ZINC001071545682 1354758423 /nfs/dbraw/zinc/75/84/23/1354758423.db2.gz CKBBDJAAKJHPKV-YOEHRIQHSA-N 2 1 349.544 3.193 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[N@H+]1CC1CCC1 ZINC001071545682 1354758426 /nfs/dbraw/zinc/75/84/26/1354758426.db2.gz CKBBDJAAKJHPKV-YOEHRIQHSA-N 2 1 349.544 3.193 20 0 EGADMP CC(C)C[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071547005 1354759538 /nfs/dbraw/zinc/75/95/38/1354759538.db2.gz QAALSVAACMKQMN-HOCLYGCPSA-N 2 1 337.533 3.048 20 0 EGADMP CC(C)C[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071547005 1354759541 /nfs/dbraw/zinc/75/95/41/1354759541.db2.gz QAALSVAACMKQMN-HOCLYGCPSA-N 2 1 337.533 3.048 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071735206 1354887294 /nfs/dbraw/zinc/88/72/94/1354887294.db2.gz HUQTUQMGQWMTDQ-WMZOPIPTSA-N 2 1 337.552 3.266 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@H+]1CCC1CC1 ZINC001071896682 1355011584 /nfs/dbraw/zinc/01/15/84/1355011584.db2.gz HNEMORQBXMYBFJ-JXFKEZNVSA-N 2 1 343.515 3.131 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@H+]1CCC1CC1 ZINC001071896687 1355012106 /nfs/dbraw/zinc/01/21/06/1355012106.db2.gz HNEMORQBXMYBFJ-UZLBHIALSA-N 2 1 343.515 3.131 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C)[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001071920480 1355026019 /nfs/dbraw/zinc/02/60/19/1355026019.db2.gz SCOFZWFQDLZQHG-ICSRJNTNSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001071972907 1355054786 /nfs/dbraw/zinc/05/47/86/1355054786.db2.gz CGIGTQXDPWXGNA-PXNSSMCTSA-N 2 1 347.547 3.044 20 0 EGADMP CCCC[N@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072096041 1355127507 /nfs/dbraw/zinc/12/75/07/1355127507.db2.gz SELLBVVRYKVODB-QFBILLFUSA-N 2 1 331.504 3.131 20 0 EGADMP CC(C)=CC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001072882871 1355482541 /nfs/dbraw/zinc/48/25/41/1355482541.db2.gz UIDNTLPPTBUXGG-UHFFFAOYSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001072882871 1355482544 /nfs/dbraw/zinc/48/25/44/1355482544.db2.gz UIDNTLPPTBUXGG-UHFFFAOYSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)=CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001072882871 1355482545 /nfs/dbraw/zinc/48/25/45/1355482545.db2.gz UIDNTLPPTBUXGG-UHFFFAOYSA-N 2 1 347.547 3.140 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)CC2=CCCCC2)C1 ZINC001074064905 1356063067 /nfs/dbraw/zinc/06/30/67/1356063067.db2.gz UGXYJEPSIZBQPJ-UYAOXDASSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@H+](C)CC2=CCCCC2)C1 ZINC001074064905 1356063069 /nfs/dbraw/zinc/06/30/69/1356063069.db2.gz UGXYJEPSIZBQPJ-UYAOXDASSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2=CCCCC2)C1 ZINC001074064905 1356063072 /nfs/dbraw/zinc/06/30/72/1356063072.db2.gz UGXYJEPSIZBQPJ-UYAOXDASSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC2(CCC2)C1)[NH+](C)C ZINC001074066853 1356063605 /nfs/dbraw/zinc/06/36/05/1356063605.db2.gz RRZCJKKMZLRVPR-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1=CCCCC1)[NH+](C)C ZINC001074066590 1356063971 /nfs/dbraw/zinc/06/39/71/1356063971.db2.gz JAGUTQMHRGUIRR-MOPGFXCFSA-N 2 1 335.536 3.140 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)[C@@H]1C ZINC001074648531 1356221197 /nfs/dbraw/zinc/22/11/97/1356221197.db2.gz CXNQWBQOWDVCJQ-YTQUADARSA-N 2 1 335.536 3.019 20 0 EGADMP CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001099257603 1363717839 /nfs/dbraw/zinc/71/78/39/1363717839.db2.gz IVZSDGAJFYEZPU-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001099257603 1363717841 /nfs/dbraw/zinc/71/78/41/1363717841.db2.gz IVZSDGAJFYEZPU-MRXNPFEDSA-N 2 1 334.508 3.023 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1C ZINC001080998867 1357777257 /nfs/dbraw/zinc/77/72/57/1357777257.db2.gz QPPXPLKIKLGQGU-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1C ZINC001080998867 1357777261 /nfs/dbraw/zinc/77/72/61/1357777261.db2.gz QPPXPLKIKLGQGU-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1C ZINC001080998867 1357777262 /nfs/dbraw/zinc/77/72/62/1357777262.db2.gz QPPXPLKIKLGQGU-MISYRCLQSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2=CCCCC2)C[C@H]1C ZINC001080998509 1357777397 /nfs/dbraw/zinc/77/73/97/1357777397.db2.gz AWQCAZIWAPVGCN-RLLQIKCJSA-N 2 1 347.547 3.188 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C ZINC001080998509 1357777399 /nfs/dbraw/zinc/77/73/99/1357777399.db2.gz AWQCAZIWAPVGCN-RLLQIKCJSA-N 2 1 347.547 3.188 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C ZINC001080998509 1357777402 /nfs/dbraw/zinc/77/74/02/1357777402.db2.gz AWQCAZIWAPVGCN-RLLQIKCJSA-N 2 1 347.547 3.188 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001183392499 1387306376 /nfs/dbraw/zinc/30/63/76/1387306376.db2.gz XHOHDROJEJYYFO-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCCCCC3)C2)CC[N@H+]1C ZINC001082522329 1358053399 /nfs/dbraw/zinc/05/33/99/1358053399.db2.gz AVFYQXQEVXDGLF-GSEOLPGOSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CC1CCC1 ZINC001082701045 1358078207 /nfs/dbraw/zinc/07/82/07/1358078207.db2.gz JTMYKWLWLYYZBN-NSISKUIASA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944360 1358352914 /nfs/dbraw/zinc/35/29/14/1358352914.db2.gz JNFADRPUZMMLJA-KSZLIROESA-N 2 1 346.519 3.120 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@H]21 ZINC001084944360 1358352918 /nfs/dbraw/zinc/35/29/18/1358352918.db2.gz JNFADRPUZMMLJA-KSZLIROESA-N 2 1 346.519 3.120 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CC(C)(C)C2)CC[N@H+]1C ZINC001085204731 1358433035 /nfs/dbraw/zinc/43/30/35/1358433035.db2.gz GYESBQSCHYQTAL-WJFTUGDTSA-N 2 1 349.563 3.170 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001085217875 1358436633 /nfs/dbraw/zinc/43/66/33/1358436633.db2.gz VUARYKCBVQYEGX-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC001085432523 1358498191 /nfs/dbraw/zinc/49/81/91/1358498191.db2.gz CBMMZENNKKKMHV-VAMGGRTRSA-N 2 1 343.515 3.078 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001085685923 1358685998 /nfs/dbraw/zinc/68/59/98/1358685998.db2.gz FFIJKSYUDAJANZ-GOSISDBHSA-N 2 1 342.487 3.225 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCC1 ZINC001085688855 1358689156 /nfs/dbraw/zinc/68/91/56/1358689156.db2.gz STCJXEOOWYEOGF-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001085688855 1358689159 /nfs/dbraw/zinc/68/91/59/1358689159.db2.gz STCJXEOOWYEOGF-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001085688855 1358689163 /nfs/dbraw/zinc/68/91/63/1358689163.db2.gz STCJXEOOWYEOGF-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CCC1=CCCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001085695838 1358691777 /nfs/dbraw/zinc/69/17/77/1358691777.db2.gz SNLRTYDJNMJRFB-LJQANCHMSA-N 2 1 345.531 3.038 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001183870039 1387364068 /nfs/dbraw/zinc/36/40/68/1387364068.db2.gz YTCJSMGHTPZDRC-KAGICYHLSA-N 2 1 335.536 3.044 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085988127 1358939493 /nfs/dbraw/zinc/93/94/93/1358939493.db2.gz WGHLNMOPZJLAMA-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001085988127 1358939495 /nfs/dbraw/zinc/93/94/95/1358939495.db2.gz WGHLNMOPZJLAMA-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001085988127 1358939498 /nfs/dbraw/zinc/93/94/98/1358939498.db2.gz WGHLNMOPZJLAMA-VQTJNVASSA-N 2 1 347.547 3.284 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001086277925 1359051400 /nfs/dbraw/zinc/05/14/00/1359051400.db2.gz AEHYXCADCNLQLF-ZCNNSNEGSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001086382801 1359083369 /nfs/dbraw/zinc/08/33/69/1359083369.db2.gz YLITVCQSWXQZQG-HNBVOPMISA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001086415025 1359091371 /nfs/dbraw/zinc/09/13/71/1359091371.db2.gz VRTGUVKOGMWWAP-VAMGGRTRSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001086497194 1359120552 /nfs/dbraw/zinc/12/05/52/1359120552.db2.gz AVBVZCKNAKJQFR-VAMGGRTRSA-N 2 1 347.547 3.234 20 0 EGADMP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001086502561 1359121846 /nfs/dbraw/zinc/12/18/46/1359121846.db2.gz FMVYAJQJJNDVOM-LWYYNNOASA-N 2 1 347.547 3.068 20 0 EGADMP CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086926842 1359251974 /nfs/dbraw/zinc/25/19/74/1359251974.db2.gz LTMFMCJJLMQYEM-MOPGFXCFSA-N 2 1 349.563 3.362 20 0 EGADMP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001087134989 1359301106 /nfs/dbraw/zinc/30/11/06/1359301106.db2.gz NLUWGPVUDXZVGB-HOJAQTOUSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001087318442 1359409990 /nfs/dbraw/zinc/40/99/90/1359409990.db2.gz XVFHNZDUDPIAAX-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC001323595723 1387400196 /nfs/dbraw/zinc/40/01/96/1387400196.db2.gz CUFKKECFJHGRKA-LJQANCHMSA-N 2 1 337.552 3.125 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CCC1CCCCCC1 ZINC001087523038 1359509413 /nfs/dbraw/zinc/50/94/13/1359509413.db2.gz GWRBJKLPDLMVOI-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCC1CCCCCC1 ZINC001087523038 1359509417 /nfs/dbraw/zinc/50/94/17/1359509417.db2.gz GWRBJKLPDLMVOI-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CCC1CCCCCC1 ZINC001087523038 1359509419 /nfs/dbraw/zinc/50/94/19/1359509419.db2.gz GWRBJKLPDLMVOI-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@H+]1CCC1CCCC1 ZINC001087569971 1359535748 /nfs/dbraw/zinc/53/57/48/1359535748.db2.gz VALARAXRTIILAI-ZCNNSNEGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CCC1CCCC1 ZINC001087569971 1359535751 /nfs/dbraw/zinc/53/57/51/1359535751.db2.gz VALARAXRTIILAI-ZCNNSNEGSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC[NH+]1CCC1CCCC1 ZINC001087569971 1359535754 /nfs/dbraw/zinc/53/57/54/1359535754.db2.gz VALARAXRTIILAI-ZCNNSNEGSA-N 2 1 349.563 3.409 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)[C@@H]1CC ZINC001087593345 1359546305 /nfs/dbraw/zinc/54/63/05/1359546305.db2.gz BVSHJMHEGCLIFG-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@@H]1CC ZINC001087593345 1359546310 /nfs/dbraw/zinc/54/63/10/1359546310.db2.gz BVSHJMHEGCLIFG-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H]1CC ZINC001087593345 1359546311 /nfs/dbraw/zinc/54/63/11/1359546311.db2.gz BVSHJMHEGCLIFG-OTWHNJEPSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)[C@@H]1CC ZINC001087792219 1359648833 /nfs/dbraw/zinc/64/88/33/1359648833.db2.gz SQYLCQQJIBBPDU-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC2)[C@@H]1CC ZINC001087792219 1359648837 /nfs/dbraw/zinc/64/88/37/1359648837.db2.gz SQYLCQQJIBBPDU-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@@H]1CC ZINC001087792219 1359648840 /nfs/dbraw/zinc/64/88/40/1359648840.db2.gz SQYLCQQJIBBPDU-ZCNNSNEGSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1CC1CCC1 ZINC001087838577 1359672867 /nfs/dbraw/zinc/67/28/67/1359672867.db2.gz LQOHGXUSIRPHOG-VQTJNVASSA-N 2 1 343.515 3.131 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@H+]1Cc1ccsc1 ZINC001087840803 1359675350 /nfs/dbraw/zinc/67/53/50/1359675350.db2.gz ONPZEHLGIHLJPK-RCCFBDPRSA-N 2 1 349.544 3.092 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC[NH+]1Cc1ccsc1 ZINC001087840803 1359675355 /nfs/dbraw/zinc/67/53/55/1359675355.db2.gz ONPZEHLGIHLJPK-RCCFBDPRSA-N 2 1 349.544 3.092 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC[NH+]1Cc1ccsc1 ZINC001087840803 1359675356 /nfs/dbraw/zinc/67/53/56/1359675356.db2.gz ONPZEHLGIHLJPK-RCCFBDPRSA-N 2 1 349.544 3.092 20 0 EGADMP CC(C)[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001088327193 1359831339 /nfs/dbraw/zinc/83/13/39/1359831339.db2.gz HSIZVYKUEZEESY-HKUYNNGSSA-N 2 1 335.536 3.163 20 0 EGADMP C[N@@H+](CC(=O)N1CCCCC[C@H]([NH2+]Cc2ccccc2)C1)C1CCC1 ZINC001088327245 1359831657 /nfs/dbraw/zinc/83/16/57/1359831657.db2.gz ITCYGZPDFRMRAI-IBGZPJMESA-N 2 1 343.515 3.032 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CCC3CC3)C2)C1 ZINC001088367464 1359851465 /nfs/dbraw/zinc/85/14/65/1359851465.db2.gz KQJXCGNDHHZHHL-UXHICEINSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH2+][C@H](C)CC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC001348853150 1391275740 /nfs/dbraw/zinc/27/57/40/1391275740.db2.gz RVOHUNYBJSWQMJ-KCXAZCMYSA-N 2 1 341.293 3.257 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001088381491 1359865327 /nfs/dbraw/zinc/86/53/27/1359865327.db2.gz FYSJEGABSXCKBH-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001088382620 1359865381 /nfs/dbraw/zinc/86/53/81/1359865381.db2.gz GZRVBMJUOXASGB-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001088431534 1359899324 /nfs/dbraw/zinc/89/93/24/1359899324.db2.gz YWQBEJRURFLBEE-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCCC2)[C@@H]1C ZINC001088562726 1359974142 /nfs/dbraw/zinc/97/41/42/1359974142.db2.gz KFNQCDCICPYDHJ-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)[C@@H]1C ZINC001088562726 1359974146 /nfs/dbraw/zinc/97/41/46/1359974146.db2.gz KFNQCDCICPYDHJ-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)[C@@H]1C ZINC001088562726 1359974150 /nfs/dbraw/zinc/97/41/50/1359974150.db2.gz KFNQCDCICPYDHJ-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001088898818 1360098590 /nfs/dbraw/zinc/09/85/90/1360098590.db2.gz XMRBSWLNUHEKMQ-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1C ZINC001088898818 1360098593 /nfs/dbraw/zinc/09/85/93/1360098593.db2.gz XMRBSWLNUHEKMQ-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1C ZINC001088898818 1360098595 /nfs/dbraw/zinc/09/85/95/1360098595.db2.gz XMRBSWLNUHEKMQ-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2C[NH+](C)CC2CCCCC2)C1 ZINC001089226947 1360268026 /nfs/dbraw/zinc/26/80/26/1360268026.db2.gz MNMVKWVJHUWXMS-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCCC[C@H]2C[N@H+](C)CC2CCCCC2)C1 ZINC001089226947 1360268031 /nfs/dbraw/zinc/26/80/31/1360268031.db2.gz MNMVKWVJHUWXMS-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CCCCC2)C1 ZINC001089226947 1360268034 /nfs/dbraw/zinc/26/80/34/1360268034.db2.gz MNMVKWVJHUWXMS-ICSRJNTNSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@H]1C[NH+](C)CC1CCCCC1 ZINC001089227119 1360268792 /nfs/dbraw/zinc/26/87/92/1360268792.db2.gz QGRFTJNZDDQUFM-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCCCC1 ZINC001089227119 1360268794 /nfs/dbraw/zinc/26/87/94/1360268794.db2.gz QGRFTJNZDDQUFM-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCCCC1 ZINC001089227119 1360268798 /nfs/dbraw/zinc/26/87/98/1360268798.db2.gz QGRFTJNZDDQUFM-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001089259527 1360289255 /nfs/dbraw/zinc/28/92/55/1360289255.db2.gz MJBFFSXVAJLZGG-MHJFOBGBSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1=CCCCC1 ZINC001089261887 1360290092 /nfs/dbraw/zinc/29/00/92/1360290092.db2.gz SEGZLUOEDQUHEO-IBGZPJMESA-N 2 1 344.503 3.005 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1=CCCCC1 ZINC001089261887 1360290094 /nfs/dbraw/zinc/29/00/94/1360290094.db2.gz SEGZLUOEDQUHEO-IBGZPJMESA-N 2 1 344.503 3.005 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](C(C)C)CC(C)(C)C2)C1 ZINC001089473127 1360456664 /nfs/dbraw/zinc/45/66/64/1360456664.db2.gz SOCCBAPMVUZBCR-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](C(C)C)CC(C)(C)C2)C1 ZINC001089473127 1360456665 /nfs/dbraw/zinc/45/66/65/1360456665.db2.gz SOCCBAPMVUZBCR-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](C(C)C)CC(C)(C)C2)C1 ZINC001089473127 1360456668 /nfs/dbraw/zinc/45/66/68/1360456668.db2.gz SOCCBAPMVUZBCR-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089510496 1360481703 /nfs/dbraw/zinc/48/17/03/1360481703.db2.gz VGVSQBLKGBJBSJ-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089563335 1360510368 /nfs/dbraw/zinc/51/03/68/1360510368.db2.gz QFBMZUNQIGMZES-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001089639448 1360553278 /nfs/dbraw/zinc/55/32/78/1360553278.db2.gz WELYAVHLNKBLSP-RBUKOAKNSA-N 2 1 349.563 3.432 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089639448 1360553281 /nfs/dbraw/zinc/55/32/81/1360553281.db2.gz WELYAVHLNKBLSP-RBUKOAKNSA-N 2 1 349.563 3.432 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089639448 1360553285 /nfs/dbraw/zinc/55/32/85/1360553285.db2.gz WELYAVHLNKBLSP-RBUKOAKNSA-N 2 1 349.563 3.432 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089646030 1360558473 /nfs/dbraw/zinc/55/84/73/1360558473.db2.gz HGICZMXBCRMIGG-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001089646030 1360558476 /nfs/dbraw/zinc/55/84/76/1360558476.db2.gz HGICZMXBCRMIGG-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001089646030 1360558477 /nfs/dbraw/zinc/55/84/77/1360558477.db2.gz HGICZMXBCRMIGG-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001089657560 1360569190 /nfs/dbraw/zinc/56/91/90/1360569190.db2.gz DUNBLAVSLUCANQ-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001089657560 1360569192 /nfs/dbraw/zinc/56/91/92/1360569192.db2.gz DUNBLAVSLUCANQ-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1 ZINC001089657560 1360569193 /nfs/dbraw/zinc/56/91/93/1360569193.db2.gz DUNBLAVSLUCANQ-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCCC1 ZINC001089657560 1360569196 /nfs/dbraw/zinc/56/91/96/1360569196.db2.gz DUNBLAVSLUCANQ-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CCC2CCCC2)C1 ZINC001089732195 1360636109 /nfs/dbraw/zinc/63/61/09/1360636109.db2.gz OTWBIBMEFYSFOS-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CCC2CCCC2)C1 ZINC001089732195 1360636112 /nfs/dbraw/zinc/63/61/12/1360636112.db2.gz OTWBIBMEFYSFOS-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CCC2CCCC2)C1 ZINC001089732195 1360636114 /nfs/dbraw/zinc/63/61/14/1360636114.db2.gz OTWBIBMEFYSFOS-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089733729 1360637544 /nfs/dbraw/zinc/63/75/44/1360637544.db2.gz AIRXPLMBVBMMGV-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001089733729 1360637546 /nfs/dbraw/zinc/63/75/46/1360637546.db2.gz AIRXPLMBVBMMGV-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001089733729 1360637550 /nfs/dbraw/zinc/63/75/50/1360637550.db2.gz AIRXPLMBVBMMGV-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC3CCCCCC3)C2)CC[N@H+]1C ZINC001091039169 1360984285 /nfs/dbraw/zinc/98/42/85/1360984285.db2.gz QJCSFTXFEURMCW-GHBBCFCZSA-N 2 1 349.563 3.172 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001091111939 1360993569 /nfs/dbraw/zinc/99/35/69/1360993569.db2.gz FVOFFXBPHAVIEK-SOAGJPPSSA-N 2 1 347.547 3.092 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2CC([NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001091198916 1361005218 /nfs/dbraw/zinc/00/52/18/1361005218.db2.gz ZBQJHJSZDBOFJS-CUYAVPTFSA-N 2 1 349.563 3.029 20 0 EGADMP CC[C@@H](C(=O)N1CCC([C@@H]2[N@@H+](CC(C)C)CC23CCC3)CC1)[NH+](C)C ZINC001093379616 1361590576 /nfs/dbraw/zinc/59/05/76/1361590576.db2.gz DRAUWTIWKLYGKW-OALUTQOASA-N 2 1 349.563 3.076 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC1CCCC1)CC2 ZINC001094380622 1361780967 /nfs/dbraw/zinc/78/09/67/1361780967.db2.gz UWLQYBKAFMIPPR-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CCCC1)CC2 ZINC001094380622 1361780968 /nfs/dbraw/zinc/78/09/68/1361780968.db2.gz UWLQYBKAFMIPPR-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CCCC1)CC2 ZINC001094380622 1361780969 /nfs/dbraw/zinc/78/09/69/1361780969.db2.gz UWLQYBKAFMIPPR-SFHLNBCPSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094497910 1361831125 /nfs/dbraw/zinc/83/11/25/1361831125.db2.gz QWXFBQGPPDQDEU-CTAFRAEOSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094497910 1361831129 /nfs/dbraw/zinc/83/11/29/1361831129.db2.gz QWXFBQGPPDQDEU-CTAFRAEOSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094497910 1361831131 /nfs/dbraw/zinc/83/11/31/1361831131.db2.gz QWXFBQGPPDQDEU-CTAFRAEOSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCCCC1 ZINC001324193168 1387554471 /nfs/dbraw/zinc/55/44/71/1387554471.db2.gz GGSOZGZBNKMXGZ-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001095624494 1362188449 /nfs/dbraw/zinc/18/84/49/1362188449.db2.gz FLXCHXUQZCATQV-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001095624494 1362188452 /nfs/dbraw/zinc/18/84/52/1362188452.db2.gz FLXCHXUQZCATQV-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001095624494 1362188453 /nfs/dbraw/zinc/18/84/53/1362188453.db2.gz FLXCHXUQZCATQV-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001095624494 1362188456 /nfs/dbraw/zinc/18/84/56/1362188456.db2.gz FLXCHXUQZCATQV-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC(C)(C)C)C1 ZINC001095904036 1362280455 /nfs/dbraw/zinc/28/04/55/1362280455.db2.gz XNEOPRLJWPQQJR-YRXWBPOGSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC(C)(C)C)C1 ZINC001095904036 1362280458 /nfs/dbraw/zinc/28/04/58/1362280458.db2.gz XNEOPRLJWPQQJR-YRXWBPOGSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(C)(C)C)C1 ZINC001095904036 1362280461 /nfs/dbraw/zinc/28/04/61/1362280461.db2.gz XNEOPRLJWPQQJR-YRXWBPOGSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001096604752 1362594344 /nfs/dbraw/zinc/59/43/44/1362594344.db2.gz PASGJOJRXVTHGT-LDTOTXGLSA-N 2 1 343.515 3.129 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001097065789 1362830792 /nfs/dbraw/zinc/83/07/92/1362830792.db2.gz FCYMWVBXPZKJSG-YSTOQKLRSA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001097065789 1362830795 /nfs/dbraw/zinc/83/07/95/1362830795.db2.gz FCYMWVBXPZKJSG-YSTOQKLRSA-N 2 1 345.531 3.081 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001097065789 1362830799 /nfs/dbraw/zinc/83/07/99/1362830799.db2.gz FCYMWVBXPZKJSG-YSTOQKLRSA-N 2 1 345.531 3.081 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCC1 ZINC001097176962 1362874585 /nfs/dbraw/zinc/87/45/85/1362874585.db2.gz CZXAVPZZNPBJCL-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1 ZINC001097176962 1362874589 /nfs/dbraw/zinc/87/45/89/1362874589.db2.gz CZXAVPZZNPBJCL-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001097176962 1362874593 /nfs/dbraw/zinc/87/45/93/1362874593.db2.gz CZXAVPZZNPBJCL-ZRNYENFQSA-N 2 1 347.547 3.163 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097210615 1362886998 /nfs/dbraw/zinc/88/69/98/1362886998.db2.gz ZMWHPMPMUNHOQW-WTGUMLROSA-N 2 1 349.563 3.122 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001097210615 1362887002 /nfs/dbraw/zinc/88/70/02/1362887002.db2.gz ZMWHPMPMUNHOQW-WTGUMLROSA-N 2 1 349.563 3.122 20 0 EGADMP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001097210615 1362887006 /nfs/dbraw/zinc/88/70/06/1362887006.db2.gz ZMWHPMPMUNHOQW-WTGUMLROSA-N 2 1 349.563 3.122 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001097848976 1363141336 /nfs/dbraw/zinc/14/13/36/1363141336.db2.gz YIYCUMUXQYPCJH-NBYUQASBSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001097848976 1363141338 /nfs/dbraw/zinc/14/13/38/1363141338.db2.gz YIYCUMUXQYPCJH-NBYUQASBSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001097848976 1363141340 /nfs/dbraw/zinc/14/13/40/1363141340.db2.gz YIYCUMUXQYPCJH-NBYUQASBSA-N 2 1 347.547 3.163 20 0 EGADMP C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001097971842 1363184348 /nfs/dbraw/zinc/18/43/48/1363184348.db2.gz JRUOYHQIZLJPOX-MKXGPGLRSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001098455272 1363330280 /nfs/dbraw/zinc/33/02/80/1363330280.db2.gz LYDARYVKMQBPOA-AQNXPRMDSA-N 2 1 343.515 3.129 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001098455157 1363330845 /nfs/dbraw/zinc/33/08/45/1363330845.db2.gz IBLADNTVRSDNKG-AQNXPRMDSA-N 2 1 341.499 3.050 20 0 EGADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001098461056 1363332240 /nfs/dbraw/zinc/33/22/40/1363332240.db2.gz OWGCYXGXFFXNHY-QOJCHSLYSA-N 2 1 343.515 3.129 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1 ZINC001098463958 1363333094 /nfs/dbraw/zinc/33/30/94/1363333094.db2.gz IYMYKLQRSIYIIF-YRXWBPOGSA-N 2 1 347.547 3.019 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1 ZINC001098463958 1363333099 /nfs/dbraw/zinc/33/30/99/1363333099.db2.gz IYMYKLQRSIYIIF-YRXWBPOGSA-N 2 1 347.547 3.019 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1 ZINC001098463958 1363333104 /nfs/dbraw/zinc/33/31/04/1363333104.db2.gz IYMYKLQRSIYIIF-YRXWBPOGSA-N 2 1 347.547 3.019 20 0 EGADMP CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1)C1CCCC1 ZINC001098812257 1363477771 /nfs/dbraw/zinc/47/77/71/1363477771.db2.gz AMTBFZMJEMEAHS-PXNSSMCTSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001099101009 1363622313 /nfs/dbraw/zinc/62/23/13/1363622313.db2.gz DDLSZVJDQGGCGG-CUWPLCDZSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115275 1363631311 /nfs/dbraw/zinc/63/13/11/1363631311.db2.gz DENOUBHCVMTNQL-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001099115275 1363631313 /nfs/dbraw/zinc/63/13/13/1363631313.db2.gz DENOUBHCVMTNQL-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001099115275 1363631315 /nfs/dbraw/zinc/63/13/15/1363631315.db2.gz DENOUBHCVMTNQL-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001099323998 1363750008 /nfs/dbraw/zinc/75/00/08/1363750008.db2.gz DQFQEMLQYJHSEB-NQIIRXRSSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001099323998 1363750010 /nfs/dbraw/zinc/75/00/10/1363750010.db2.gz DQFQEMLQYJHSEB-NQIIRXRSSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001099323998 1363750014 /nfs/dbraw/zinc/75/00/14/1363750014.db2.gz DQFQEMLQYJHSEB-NQIIRXRSSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099340303 1363760492 /nfs/dbraw/zinc/76/04/92/1363760492.db2.gz REPOZZFYHKWNRS-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC1=CCCCC1 ZINC001099354011 1363768391 /nfs/dbraw/zinc/76/83/91/1363768391.db2.gz LSTRBBWZCGIYEY-LJQANCHMSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1=CCCCC1 ZINC001099354011 1363768395 /nfs/dbraw/zinc/76/83/95/1363768395.db2.gz LSTRBBWZCGIYEY-LJQANCHMSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1=CCCCC1 ZINC001099354011 1363768396 /nfs/dbraw/zinc/76/83/96/1363768396.db2.gz LSTRBBWZCGIYEY-LJQANCHMSA-N 2 1 349.563 3.434 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C(C)C)C1 ZINC001099436266 1363797019 /nfs/dbraw/zinc/79/70/19/1363797019.db2.gz KGQWVGHOKTUTJL-UWVAXJGDSA-N 2 1 346.519 3.023 20 0 EGADMP CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001100405649 1364103637 /nfs/dbraw/zinc/10/36/37/1364103637.db2.gz HDQAAPDMICMGIZ-HSTXZYEDSA-N 2 1 347.547 3.234 20 0 EGADMP CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001100729588 1364238445 /nfs/dbraw/zinc/23/84/45/1364238445.db2.gz FIGJKNCWQKSYMV-CTWPCTMYSA-N 2 1 337.552 3.314 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001100829606 1364281558 /nfs/dbraw/zinc/28/15/58/1364281558.db2.gz CKKMUKVDAQUCKA-UHFFFAOYSA-N 2 1 345.531 3.136 20 0 EGADMP C[NH+](C)CCCCC(=O)N1C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@]2(C)C1 ZINC001101436944 1364562600 /nfs/dbraw/zinc/56/26/00/1364562600.db2.gz UNUPRDKVOXOUPI-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC3CCCCCC3)C[C@@]2(C)C1 ZINC001101443947 1364567283 /nfs/dbraw/zinc/56/72/83/1364567283.db2.gz QZXOTQUUTJWCCA-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC3CCCCCC3)C[C@@]2(C)C1 ZINC001101443947 1364567286 /nfs/dbraw/zinc/56/72/86/1364567286.db2.gz QZXOTQUUTJWCCA-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC3CCCCCC3)C[C@@]2(C)C1 ZINC001101443947 1364567290 /nfs/dbraw/zinc/56/72/90/1364567290.db2.gz QZXOTQUUTJWCCA-CTNGQTDRSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001101555725 1364616891 /nfs/dbraw/zinc/61/68/91/1364616891.db2.gz FHCKWYPIOWCRRK-UHFFFAOYSA-N 2 1 346.519 3.012 20 0 EGADMP CC[C@@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001101555715 1364617168 /nfs/dbraw/zinc/61/71/68/1364617168.db2.gz DZIAKHUAXWACKF-MRXNPFEDSA-N 2 1 348.535 3.092 20 0 EGADMP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330148 1365005375 /nfs/dbraw/zinc/00/53/75/1365005375.db2.gz FNMPAFKTMVYIOZ-FMABSTRRSA-N 2 1 337.552 3.003 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375660 1365029568 /nfs/dbraw/zinc/02/95/68/1365029568.db2.gz VUICTOQFWRSNBW-RKQNLGICSA-N 2 1 337.552 3.005 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375660 1365029572 /nfs/dbraw/zinc/02/95/72/1365029572.db2.gz VUICTOQFWRSNBW-RKQNLGICSA-N 2 1 337.552 3.005 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375660 1365029575 /nfs/dbraw/zinc/02/95/75/1365029575.db2.gz VUICTOQFWRSNBW-RKQNLGICSA-N 2 1 337.552 3.005 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C)C(C)C ZINC001102472015 1365073743 /nfs/dbraw/zinc/07/37/43/1365073743.db2.gz CVCHVVVCOLRTQD-GUDVDZBRSA-N 2 1 339.568 3.083 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H](C)CC)C[C@H]1C ZINC001102472340 1365075282 /nfs/dbraw/zinc/07/52/82/1365075282.db2.gz WTZOQDFOMAYKKH-GUDVDZBRSA-N 2 1 339.568 3.229 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@H](C)CC)C[C@H]1C ZINC001102472340 1365075287 /nfs/dbraw/zinc/07/52/87/1365075287.db2.gz WTZOQDFOMAYKKH-GUDVDZBRSA-N 2 1 339.568 3.229 20 0 EGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)CC)C[C@H]1C ZINC001102472340 1365075293 /nfs/dbraw/zinc/07/52/93/1365075293.db2.gz WTZOQDFOMAYKKH-GUDVDZBRSA-N 2 1 339.568 3.229 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102479712 1365077918 /nfs/dbraw/zinc/07/79/18/1365077918.db2.gz CTPJJKCMTRBFTF-NHQAVIFJSA-N 2 1 349.563 3.149 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102580271 1365123600 /nfs/dbraw/zinc/12/36/00/1365123600.db2.gz ODCUGKLIBMCGKP-UYAOXDASSA-N 2 1 349.563 3.127 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001103060548 1365359295 /nfs/dbraw/zinc/35/92/95/1365359295.db2.gz RWPCESVYGVVRQV-PFRNKHFKSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001103060548 1365359296 /nfs/dbraw/zinc/35/92/96/1365359296.db2.gz RWPCESVYGVVRQV-PFRNKHFKSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001103060548 1365359300 /nfs/dbraw/zinc/35/93/00/1365359300.db2.gz RWPCESVYGVVRQV-PFRNKHFKSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C)[NH+](C)C ZINC001103140135 1365403708 /nfs/dbraw/zinc/40/37/08/1365403708.db2.gz OJXPTHRXMWXILK-KZNAEPCWSA-N 2 1 339.568 3.227 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001103148103 1365409716 /nfs/dbraw/zinc/40/97/16/1365409716.db2.gz OIAAMURBKJTBSS-VJQBDMSCSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001103148103 1365409718 /nfs/dbraw/zinc/40/97/18/1365409718.db2.gz OIAAMURBKJTBSS-VJQBDMSCSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001103148103 1365409720 /nfs/dbraw/zinc/40/97/20/1365409720.db2.gz OIAAMURBKJTBSS-VJQBDMSCSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001103268447 1365464032 /nfs/dbraw/zinc/46/40/32/1365464032.db2.gz XSGQRKUFRNCXEF-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001185546493 1387744505 /nfs/dbraw/zinc/74/45/05/1387744505.db2.gz CKMJBMPSHGZZDQ-YMHTTXFNSA-N 2 1 337.552 3.149 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001103433235 1365557308 /nfs/dbraw/zinc/55/73/08/1365557308.db2.gz AJRQEYRVCJYOJV-AHSYYPKJSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001103433235 1365557311 /nfs/dbraw/zinc/55/73/11/1365557311.db2.gz AJRQEYRVCJYOJV-AHSYYPKJSA-N 2 1 349.563 3.291 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001103433235 1365557314 /nfs/dbraw/zinc/55/73/14/1365557314.db2.gz AJRQEYRVCJYOJV-AHSYYPKJSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001103495685 1365596818 /nfs/dbraw/zinc/59/68/18/1365596818.db2.gz NXDFKPOEKHONFK-AQNXPRMDSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495685 1365596821 /nfs/dbraw/zinc/59/68/21/1365596821.db2.gz NXDFKPOEKHONFK-AQNXPRMDSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495685 1365596825 /nfs/dbraw/zinc/59/68/25/1365596825.db2.gz NXDFKPOEKHONFK-AQNXPRMDSA-N 2 1 349.563 3.290 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC001103631574 1365690038 /nfs/dbraw/zinc/69/00/38/1365690038.db2.gz UOKCFHGGQNVBKD-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC001103631574 1365690043 /nfs/dbraw/zinc/69/00/43/1365690043.db2.gz UOKCFHGGQNVBKD-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC001103631574 1365690046 /nfs/dbraw/zinc/69/00/46/1365690046.db2.gz UOKCFHGGQNVBKD-QRVBRYPASA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104678846 1366128220 /nfs/dbraw/zinc/12/82/20/1366128220.db2.gz DVLVESFCRGAOQQ-STEYPSJLSA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCC2)C1 ZINC001104753952 1366158103 /nfs/dbraw/zinc/15/81/03/1366158103.db2.gz WLOZCRRWXGJGPI-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC001324846634 1387790667 /nfs/dbraw/zinc/79/06/67/1387790667.db2.gz ZPFOLEPBUJZGKK-MRXNPFEDSA-N 2 1 335.455 3.265 20 0 EGADMP Cn1ccnc1C[C@H]1CCCN(Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC001324846634 1387790668 /nfs/dbraw/zinc/79/06/68/1387790668.db2.gz ZPFOLEPBUJZGKK-MRXNPFEDSA-N 2 1 335.455 3.265 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C(C)C)C1)c1ccccc1 ZINC001104896850 1366213956 /nfs/dbraw/zinc/21/39/56/1366213956.db2.gz RXHDWTVKCJCOBK-RLLQIKCJSA-N 2 1 345.531 3.162 20 0 EGADMP CC(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001105067530 1366304285 /nfs/dbraw/zinc/30/42/85/1366304285.db2.gz GSEINLZKCQMAOQ-RLLQIKCJSA-N 2 1 345.531 3.020 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1(C)CC[NH+](CC2CCCCC2)CC1 ZINC001324879979 1387801829 /nfs/dbraw/zinc/80/18/29/1387801829.db2.gz HSLYTLJOFFUAFM-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105395663 1366443892 /nfs/dbraw/zinc/44/38/92/1366443892.db2.gz CKSHDJJJNZAYOS-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001105396728 1366445321 /nfs/dbraw/zinc/44/53/21/1366445321.db2.gz UABKMPBPNDJZKA-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001105396728 1366445324 /nfs/dbraw/zinc/44/53/24/1366445324.db2.gz UABKMPBPNDJZKA-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001105396728 1366445325 /nfs/dbraw/zinc/44/53/25/1366445325.db2.gz UABKMPBPNDJZKA-FQEVSTJZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CCC[C@H]2C)CCC1 ZINC001105563039 1366532133 /nfs/dbraw/zinc/53/21/33/1366532133.db2.gz BKYTZRTYYSSPDQ-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001106479727 1366707989 /nfs/dbraw/zinc/70/79/89/1366707989.db2.gz OHUXIYRKYGEIAH-RTBURBONSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546464 1367036779 /nfs/dbraw/zinc/03/67/79/1367036779.db2.gz DHVOJGADTJMQBZ-PVGIVHLXSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546464 1367036786 /nfs/dbraw/zinc/03/67/86/1367036786.db2.gz DHVOJGADTJMQBZ-PVGIVHLXSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546464 1367036789 /nfs/dbraw/zinc/03/67/89/1367036789.db2.gz DHVOJGADTJMQBZ-PVGIVHLXSA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546926 1367036953 /nfs/dbraw/zinc/03/69/53/1367036953.db2.gz TZQUHLRXICSRBV-PVGIVHLXSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546926 1367036956 /nfs/dbraw/zinc/03/69/56/1367036956.db2.gz TZQUHLRXICSRBV-PVGIVHLXSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546926 1367036958 /nfs/dbraw/zinc/03/69/58/1367036958.db2.gz TZQUHLRXICSRBV-PVGIVHLXSA-N 2 1 347.547 3.045 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC(C)(C)C)CC[N@H+]1C ZINC001109305597 1367046420 /nfs/dbraw/zinc/04/64/20/1367046420.db2.gz LDWXNWOGXBALIF-SPOLIRPYSA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC(C)(C)C)CC[NH+]1C ZINC001109305597 1367046425 /nfs/dbraw/zinc/04/64/25/1367046425.db2.gz LDWXNWOGXBALIF-SPOLIRPYSA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC(C)(C)C)CC[NH+]1C ZINC001109305597 1367046430 /nfs/dbraw/zinc/04/64/30/1367046430.db2.gz LDWXNWOGXBALIF-SPOLIRPYSA-N 2 1 349.563 3.265 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1[NH+](CC)CC2)c1ccccc1 ZINC001107606592 1367068291 /nfs/dbraw/zinc/06/82/91/1367068291.db2.gz DUZYWMVAKYWZSK-SVFBPWRDSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC)CC2)c1ccccc1 ZINC001107606592 1367068295 /nfs/dbraw/zinc/06/82/95/1367068295.db2.gz DUZYWMVAKYWZSK-SVFBPWRDSA-N 2 1 343.515 3.060 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC)CC2)c1ccccc1 ZINC001107606592 1367068297 /nfs/dbraw/zinc/06/82/97/1367068297.db2.gz DUZYWMVAKYWZSK-SVFBPWRDSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107652131 1367095496 /nfs/dbraw/zinc/09/54/96/1367095496.db2.gz DBNHXUODPAHBJZ-UYAOXDASSA-N 2 1 335.536 3.023 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001109417895 1367112508 /nfs/dbraw/zinc/11/25/08/1367112508.db2.gz QOAWXHKDIXVLAG-YRPNKDGESA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001109417895 1367112509 /nfs/dbraw/zinc/11/25/09/1367112509.db2.gz QOAWXHKDIXVLAG-YRPNKDGESA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001109417895 1367112510 /nfs/dbraw/zinc/11/25/10/1367112510.db2.gz QOAWXHKDIXVLAG-YRPNKDGESA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109419443 1367113094 /nfs/dbraw/zinc/11/30/94/1367113094.db2.gz PTWJVRZWRPAHAL-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001109419443 1367113097 /nfs/dbraw/zinc/11/30/97/1367113097.db2.gz PTWJVRZWRPAHAL-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001109419443 1367113099 /nfs/dbraw/zinc/11/30/99/1367113099.db2.gz PTWJVRZWRPAHAL-YRXWBPOGSA-N 2 1 335.536 3.019 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109419301 1367113392 /nfs/dbraw/zinc/11/33/92/1367113392.db2.gz NGAXGUWBEPPGHJ-MIIYPZDFSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001109419301 1367113393 /nfs/dbraw/zinc/11/33/93/1367113393.db2.gz NGAXGUWBEPPGHJ-MIIYPZDFSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001109419301 1367113394 /nfs/dbraw/zinc/11/33/94/1367113394.db2.gz NGAXGUWBEPPGHJ-MIIYPZDFSA-N 2 1 347.547 3.329 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCC1 ZINC001109464182 1367137896 /nfs/dbraw/zinc/13/78/96/1367137896.db2.gz PLKBOIWZYXYADE-SQNIBIBYSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1 ZINC001109464182 1367137901 /nfs/dbraw/zinc/13/79/01/1367137901.db2.gz PLKBOIWZYXYADE-SQNIBIBYSA-N 2 1 335.536 3.019 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001109464182 1367137908 /nfs/dbraw/zinc/13/79/08/1367137908.db2.gz PLKBOIWZYXYADE-SQNIBIBYSA-N 2 1 335.536 3.019 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CC(C)C ZINC001109464377 1367138402 /nfs/dbraw/zinc/13/84/02/1367138402.db2.gz XWHGTAOSNYKLLI-MHORFTMASA-N 2 1 337.552 3.120 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)CC(C)C ZINC001109464377 1367138406 /nfs/dbraw/zinc/13/84/06/1367138406.db2.gz XWHGTAOSNYKLLI-MHORFTMASA-N 2 1 337.552 3.120 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CC(C)C ZINC001109464377 1367138409 /nfs/dbraw/zinc/13/84/09/1367138409.db2.gz XWHGTAOSNYKLLI-MHORFTMASA-N 2 1 337.552 3.120 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001109555088 1367195249 /nfs/dbraw/zinc/19/52/49/1367195249.db2.gz GYCWVXVJRKBMCY-FYQPLNBISA-N 2 1 347.547 3.163 20 0 EGADMP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001109560912 1367198011 /nfs/dbraw/zinc/19/80/11/1367198011.db2.gz XORSNUVYUHHNNN-AABGKKOBSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109560912 1367198015 /nfs/dbraw/zinc/19/80/15/1367198015.db2.gz XORSNUVYUHHNNN-AABGKKOBSA-N 2 1 347.547 3.329 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109560912 1367198021 /nfs/dbraw/zinc/19/80/21/1367198021.db2.gz XORSNUVYUHHNNN-AABGKKOBSA-N 2 1 347.547 3.329 20 0 EGADMP CCc1nccn1[C@@H](C)CC(=O)N1CC[C@H]([N@H+](C)CC(CC)CC)C1 ZINC001190247496 1367208848 /nfs/dbraw/zinc/20/88/48/1367208848.db2.gz PYDIHJFDRJUXQD-WMZOPIPTSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H]([N@@H+](C)CC(CC)CC)C1 ZINC001190247496 1367208852 /nfs/dbraw/zinc/20/88/52/1367208852.db2.gz PYDIHJFDRJUXQD-WMZOPIPTSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H]([N@H+](C)CC(CC)CC)C1 ZINC001190247496 1367208854 /nfs/dbraw/zinc/20/88/54/1367208854.db2.gz PYDIHJFDRJUXQD-WMZOPIPTSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@H]([N@H+](C)CCCC(C)C)C1 ZINC001190248190 1367209375 /nfs/dbraw/zinc/20/93/75/1367209375.db2.gz XXTNJRICRRNTAS-ZWKOTPCHSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)C)C1 ZINC001190248190 1367209383 /nfs/dbraw/zinc/20/93/83/1367209383.db2.gz XXTNJRICRRNTAS-ZWKOTPCHSA-N 2 1 348.535 3.366 20 0 EGADMP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646048 1367261455 /nfs/dbraw/zinc/26/14/55/1367261455.db2.gz GSUUVSAJIWYVNT-BDINKKKZSA-N 2 1 345.487 3.033 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646048 1367261462 /nfs/dbraw/zinc/26/14/62/1367261462.db2.gz GSUUVSAJIWYVNT-BDINKKKZSA-N 2 1 345.487 3.033 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CC(C)(C)C1)CC(C)(C)C ZINC001109724408 1367293479 /nfs/dbraw/zinc/29/34/79/1367293479.db2.gz RAPMXSNGKGOADZ-SQNIBIBYSA-N 2 1 349.563 3.122 20 0 EGADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1)CC(C)(C)C ZINC001109724408 1367293482 /nfs/dbraw/zinc/29/34/82/1367293482.db2.gz RAPMXSNGKGOADZ-SQNIBIBYSA-N 2 1 349.563 3.122 20 0 EGADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1)CC(C)(C)C ZINC001109724408 1367293485 /nfs/dbraw/zinc/29/34/85/1367293485.db2.gz RAPMXSNGKGOADZ-SQNIBIBYSA-N 2 1 349.563 3.122 20 0 EGADMP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190653805 1367317302 /nfs/dbraw/zinc/31/73/02/1367317302.db2.gz GIKRDYOSWQLTAU-VGRIIWOTSA-N 2 1 344.503 3.040 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190653805 1367317304 /nfs/dbraw/zinc/31/73/04/1367317304.db2.gz GIKRDYOSWQLTAU-VGRIIWOTSA-N 2 1 344.503 3.040 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656842 1367319846 /nfs/dbraw/zinc/31/98/46/1367319846.db2.gz WXWBFZNFHLKVPL-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190656842 1367319853 /nfs/dbraw/zinc/31/98/53/1367319853.db2.gz WXWBFZNFHLKVPL-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190656842 1367319856 /nfs/dbraw/zinc/31/98/56/1367319856.db2.gz WXWBFZNFHLKVPL-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656939 1367320564 /nfs/dbraw/zinc/32/05/64/1367320564.db2.gz YDCILWQWCGIPJT-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190656939 1367320570 /nfs/dbraw/zinc/32/05/70/1367320570.db2.gz YDCILWQWCGIPJT-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190656939 1367320574 /nfs/dbraw/zinc/32/05/74/1367320574.db2.gz YDCILWQWCGIPJT-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798761 1367329008 /nfs/dbraw/zinc/32/90/08/1367329008.db2.gz QWWKQWKTXBENIS-RNQOJCNYSA-N 2 1 349.563 3.122 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCCC1 ZINC001109866583 1367370600 /nfs/dbraw/zinc/37/06/00/1367370600.db2.gz JHKOXFBHLFGNKS-AABGKKOBSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001109865687 1367370900 /nfs/dbraw/zinc/37/09/00/1367370900.db2.gz XHSBQDMMWYXJHR-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001190997173 1367399353 /nfs/dbraw/zinc/39/93/53/1367399353.db2.gz RTNICNDGIWUMOM-MAUKXSAKSA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001190997173 1367399357 /nfs/dbraw/zinc/39/93/57/1367399357.db2.gz RTNICNDGIWUMOM-MAUKXSAKSA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001190997173 1367399363 /nfs/dbraw/zinc/39/93/63/1367399363.db2.gz RTNICNDGIWUMOM-MAUKXSAKSA-N 2 1 349.494 3.150 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001191029911 1367406141 /nfs/dbraw/zinc/40/61/41/1367406141.db2.gz PCYCMKSVVRHLRS-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001191029911 1367406144 /nfs/dbraw/zinc/40/61/44/1367406144.db2.gz PCYCMKSVVRHLRS-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001191029911 1367406146 /nfs/dbraw/zinc/40/61/46/1367406146.db2.gz PCYCMKSVVRHLRS-GOSISDBHSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082214 1367420142 /nfs/dbraw/zinc/42/01/42/1367420142.db2.gz WAEXDWNLFTWJBZ-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191082214 1367420147 /nfs/dbraw/zinc/42/01/47/1367420147.db2.gz WAEXDWNLFTWJBZ-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191082214 1367420150 /nfs/dbraw/zinc/42/01/50/1367420150.db2.gz WAEXDWNLFTWJBZ-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109984305 1367444887 /nfs/dbraw/zinc/44/48/87/1367444887.db2.gz DGRXICUESFTOIB-AYBZRNKSSA-N 2 1 344.503 3.063 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109984305 1367444892 /nfs/dbraw/zinc/44/48/92/1367444892.db2.gz DGRXICUESFTOIB-AYBZRNKSSA-N 2 1 344.503 3.063 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001110002867 1367453635 /nfs/dbraw/zinc/45/36/35/1367453635.db2.gz YENMXXJFRWQWNH-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191352060 1367482477 /nfs/dbraw/zinc/48/24/77/1367482477.db2.gz PMZLSMVLIKRCRL-UEKDZROGSA-N 2 1 340.471 3.227 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161553 1367535116 /nfs/dbraw/zinc/53/51/16/1367535116.db2.gz JDDUXVJCOBUNQP-PUBDRRPBSA-N 2 1 347.547 3.185 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001108717887 1367554426 /nfs/dbraw/zinc/55/44/26/1367554426.db2.gz XSRFBKUSWAMMJV-KSZLIROESA-N 2 1 337.552 3.122 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CCC)C2 ZINC001108804024 1367606081 /nfs/dbraw/zinc/60/60/81/1367606081.db2.gz JBAGBERUWXLRFN-OJUCNMNVSA-N 2 1 335.536 3.044 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192030391 1367669528 /nfs/dbraw/zinc/66/95/28/1367669528.db2.gz QIKVUJDFSKHDFS-OALUTQOASA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C)C1)[NH+](CC)CC ZINC001192325063 1367752978 /nfs/dbraw/zinc/75/29/78/1367752978.db2.gz JRPGDJNOLWNUNU-UXHICEINSA-N 2 1 345.531 3.148 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1)[NH+](CC)CC ZINC001192326872 1367753487 /nfs/dbraw/zinc/75/34/87/1367753487.db2.gz UBGYHVSQIKIDTB-ROUUACIJSA-N 2 1 337.552 3.076 20 0 EGADMP Cc1ccc(C[NH+](C)[C@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)cc1 ZINC001192385075 1367771074 /nfs/dbraw/zinc/77/10/74/1367771074.db2.gz DLIJARDNMQCQLV-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)cc1 ZINC001192385075 1367771078 /nfs/dbraw/zinc/77/10/78/1367771078.db2.gz DLIJARDNMQCQLV-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)cc1 ZINC001192385075 1367771084 /nfs/dbraw/zinc/77/10/84/1367771084.db2.gz DLIJARDNMQCQLV-IBGZPJMESA-N 2 1 345.531 3.006 20 0 EGADMP C[NH+](CCC1CCCC1)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192407208 1367775076 /nfs/dbraw/zinc/77/50/76/1367775076.db2.gz SOQDBZFGFCKKIL-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]([N@H+](C)CCC2CCCC2)C1)CC(C)(C)C ZINC001192407208 1367775078 /nfs/dbraw/zinc/77/50/78/1367775078.db2.gz SOQDBZFGFCKKIL-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]([N@@H+](C)CCC2CCCC2)C1)CC(C)(C)C ZINC001192407208 1367775079 /nfs/dbraw/zinc/77/50/79/1367775079.db2.gz SOQDBZFGFCKKIL-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671466 1367845908 /nfs/dbraw/zinc/84/59/08/1367845908.db2.gz KXPNVYBOZBLFCY-MGBKSAOESA-N 2 1 335.536 3.138 20 0 EGADMP CC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192671466 1367845911 /nfs/dbraw/zinc/84/59/11/1367845911.db2.gz KXPNVYBOZBLFCY-MGBKSAOESA-N 2 1 335.536 3.138 20 0 EGADMP CC/C=C\CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192671466 1367845914 /nfs/dbraw/zinc/84/59/14/1367845914.db2.gz KXPNVYBOZBLFCY-MGBKSAOESA-N 2 1 335.536 3.138 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001110626728 1367874818 /nfs/dbraw/zinc/87/48/18/1367874818.db2.gz NYBNHSQNRYTDTD-YRXWBPOGSA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001110626728 1367874820 /nfs/dbraw/zinc/87/48/20/1367874820.db2.gz NYBNHSQNRYTDTD-YRXWBPOGSA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001110626728 1367874826 /nfs/dbraw/zinc/87/48/26/1367874826.db2.gz NYBNHSQNRYTDTD-YRXWBPOGSA-N 2 1 335.536 3.163 20 0 EGADMP CC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192846812 1367886997 /nfs/dbraw/zinc/88/69/97/1367886997.db2.gz PSIOXUCJVQRSCO-HCZHMGAMSA-N 2 1 343.515 3.251 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CCCCCF)C1 ZINC001192905321 1367901207 /nfs/dbraw/zinc/90/12/07/1367901207.db2.gz DVCITXDOVJMENK-SFHVURJKSA-N 2 1 343.531 3.171 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CCCCCF)C1 ZINC001192905321 1367901212 /nfs/dbraw/zinc/90/12/12/1367901212.db2.gz DVCITXDOVJMENK-SFHVURJKSA-N 2 1 343.531 3.171 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001192905321 1367901215 /nfs/dbraw/zinc/90/12/15/1367901215.db2.gz DVCITXDOVJMENK-SFHVURJKSA-N 2 1 343.531 3.171 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001110736842 1367954353 /nfs/dbraw/zinc/95/43/53/1367954353.db2.gz PEQZUHGXVPYNFF-QRVBRYPASA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001110736842 1367954358 /nfs/dbraw/zinc/95/43/58/1367954358.db2.gz PEQZUHGXVPYNFF-QRVBRYPASA-N 2 1 349.563 3.409 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001110736842 1367954361 /nfs/dbraw/zinc/95/43/61/1367954361.db2.gz PEQZUHGXVPYNFF-QRVBRYPASA-N 2 1 349.563 3.409 20 0 EGADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754218 1367961956 /nfs/dbraw/zinc/96/19/56/1367961956.db2.gz JRQFVWISBMPKPP-CFXMGXPISA-N 2 1 347.547 3.185 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001110754218 1367961957 /nfs/dbraw/zinc/96/19/57/1367961957.db2.gz JRQFVWISBMPKPP-CFXMGXPISA-N 2 1 347.547 3.185 20 0 EGADMP CC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001110754218 1367961958 /nfs/dbraw/zinc/96/19/58/1367961958.db2.gz JRQFVWISBMPKPP-CFXMGXPISA-N 2 1 347.547 3.185 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193206261 1367966205 /nfs/dbraw/zinc/96/62/05/1367966205.db2.gz YWIKAKKBMMSEFW-DUIUGDAFSA-N 2 1 349.563 3.386 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771531 1367971486 /nfs/dbraw/zinc/97/14/86/1367971486.db2.gz VUWDYNMOJNKKSJ-QRQLOZEOSA-N 2 1 340.471 3.250 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@H](C)c2cc(C)ccc2C)C1 ZINC001193280020 1367987648 /nfs/dbraw/zinc/98/76/48/1367987648.db2.gz SUSWQRDHXNUJIC-MOPGFXCFSA-N 2 1 345.531 3.239 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2cc(C)ccc2C)C1 ZINC001193280020 1367987652 /nfs/dbraw/zinc/98/76/52/1367987652.db2.gz SUSWQRDHXNUJIC-MOPGFXCFSA-N 2 1 345.531 3.239 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2cc(C)ccc2C)C1 ZINC001193280020 1367987658 /nfs/dbraw/zinc/98/76/58/1367987658.db2.gz SUSWQRDHXNUJIC-MOPGFXCFSA-N 2 1 345.531 3.239 20 0 EGADMP C[N@@H+](CCC(C)(C)C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383258 1368017054 /nfs/dbraw/zinc/01/70/54/1368017054.db2.gz RFJLQJTWERFVSH-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423466 1368025826 /nfs/dbraw/zinc/02/58/26/1368025826.db2.gz ACZPWBXTWVOQMO-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193423466 1368025831 /nfs/dbraw/zinc/02/58/31/1368025831.db2.gz ACZPWBXTWVOQMO-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193423466 1368025834 /nfs/dbraw/zinc/02/58/34/1368025834.db2.gz ACZPWBXTWVOQMO-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@@H+](C)CC[C@H](C)F)C1 ZINC001193424786 1368027631 /nfs/dbraw/zinc/02/76/31/1368027631.db2.gz PAPSDZFQRRVJAX-ZWKOTPCHSA-N 2 1 343.531 3.169 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@@H](CC)c2ccccc2)C1 ZINC001193609480 1368073057 /nfs/dbraw/zinc/07/30/57/1368073057.db2.gz BJHZZNLUOWCVFN-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)[C@@H](CC)c2ccccc2)C1 ZINC001193609480 1368073063 /nfs/dbraw/zinc/07/30/63/1368073063.db2.gz BJHZZNLUOWCVFN-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](CC)c2ccccc2)C1 ZINC001193609480 1368073067 /nfs/dbraw/zinc/07/30/67/1368073067.db2.gz BJHZZNLUOWCVFN-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001110959572 1368125333 /nfs/dbraw/zinc/12/53/33/1368125333.db2.gz RIZBQHYPWXHNBZ-QRVBRYPASA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1)CC(C)(C)C ZINC001111028334 1368145717 /nfs/dbraw/zinc/14/57/17/1368145717.db2.gz VJRBFTAGELSGJI-QRVBRYPASA-N 2 1 347.547 3.186 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1)CC(C)(C)C ZINC001111028334 1368145721 /nfs/dbraw/zinc/14/57/21/1368145721.db2.gz VJRBFTAGELSGJI-QRVBRYPASA-N 2 1 347.547 3.186 20 0 EGADMP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1)CC(C)(C)C ZINC001111028334 1368145724 /nfs/dbraw/zinc/14/57/24/1368145724.db2.gz VJRBFTAGELSGJI-QRVBRYPASA-N 2 1 347.547 3.186 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194080401 1368179361 /nfs/dbraw/zinc/17/93/61/1368179361.db2.gz JXZGSKBNNJMSKF-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228315 1368212567 /nfs/dbraw/zinc/21/25/67/1368212567.db2.gz RRIGBUFECQUKFN-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194229441 1368212668 /nfs/dbraw/zinc/21/26/68/1368212668.db2.gz XJPJUEAIPMYEDM-AZUAARDMSA-N 2 1 343.515 3.156 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001194275366 1368222779 /nfs/dbraw/zinc/22/27/79/1368222779.db2.gz SAVODAOCCNEZHE-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194406966 1368254501 /nfs/dbraw/zinc/25/45/01/1368254501.db2.gz FEEKAXZCXUPODG-IRXDYDNUSA-N 2 1 349.519 3.314 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001111298560 1368257906 /nfs/dbraw/zinc/25/79/06/1368257906.db2.gz DIQRGEPBKMXRSI-KURKYZTESA-N 2 1 337.552 3.266 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001186412773 1387937155 /nfs/dbraw/zinc/93/71/55/1387937155.db2.gz RLLFHODECRZALX-LHUXKHBRSA-N 2 1 337.552 3.435 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](CC(C)(C)C)C1)c1ccccc1 ZINC001195214466 1368402506 /nfs/dbraw/zinc/40/25/06/1368402506.db2.gz WVWDZRPISAJWFZ-PKOBYXMFSA-N 2 1 345.531 3.164 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(C)C)C2 ZINC001111754291 1368444480 /nfs/dbraw/zinc/44/44/80/1368444480.db2.gz XLQDFHQPLRNNCV-ZWOKBUDYSA-N 2 1 346.519 3.023 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(C)C)C2 ZINC001111754291 1368444485 /nfs/dbraw/zinc/44/44/85/1368444485.db2.gz XLQDFHQPLRNNCV-ZWOKBUDYSA-N 2 1 346.519 3.023 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](C(C)C)C2 ZINC001111935500 1368566486 /nfs/dbraw/zinc/56/64/86/1368566486.db2.gz PIQDFXHBPQVFCC-ICSRJNTNSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CC1)C2 ZINC001111935977 1368566699 /nfs/dbraw/zinc/56/66/99/1368566699.db2.gz ZPURUZYBWJVSER-FPOVZHCZSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1=CCCCC1)C2 ZINC001111949155 1368571732 /nfs/dbraw/zinc/57/17/32/1368571732.db2.gz QBZRUSSCUWKIBT-FPOVZHCZSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001196275944 1368582246 /nfs/dbraw/zinc/58/22/46/1368582246.db2.gz PCLJWCIBEAWMSJ-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001196275944 1368582250 /nfs/dbraw/zinc/58/22/50/1368582250.db2.gz PCLJWCIBEAWMSJ-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001196275944 1368582256 /nfs/dbraw/zinc/58/22/56/1368582256.db2.gz PCLJWCIBEAWMSJ-OALUTQOASA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)(C)CCC[N@H+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001196275946 1368582902 /nfs/dbraw/zinc/58/29/02/1368582902.db2.gz PCLJWCIBEAWMSJ-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001196275946 1368582905 /nfs/dbraw/zinc/58/29/05/1368582905.db2.gz PCLJWCIBEAWMSJ-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)(C)CCC[NH+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001196275946 1368582909 /nfs/dbraw/zinc/58/29/09/1368582909.db2.gz PCLJWCIBEAWMSJ-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(C)c(C)c2)CC1 ZINC001196340076 1368592112 /nfs/dbraw/zinc/59/21/12/1368592112.db2.gz DWTFFHICOIBGJB-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(C)c(C)c2)CC1 ZINC001196340076 1368592114 /nfs/dbraw/zinc/59/21/14/1368592114.db2.gz DWTFFHICOIBGJB-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCCCC1)C2 ZINC001112009767 1368613434 /nfs/dbraw/zinc/61/34/34/1368613434.db2.gz SRAPKWQXFSEYBQ-FPOVZHCZSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCCCCC1)C2 ZINC001112009767 1368613438 /nfs/dbraw/zinc/61/34/38/1368613438.db2.gz SRAPKWQXFSEYBQ-FPOVZHCZSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCCCC1)C2 ZINC001112009767 1368613439 /nfs/dbraw/zinc/61/34/39/1368613439.db2.gz SRAPKWQXFSEYBQ-FPOVZHCZSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1cccc(C(F)(F)F)c1)CC(C)C ZINC001196468709 1368621438 /nfs/dbraw/zinc/62/14/38/1368621438.db2.gz FWWGEQJWSAXGII-QGZVFWFLSA-N 2 1 346.437 3.476 20 0 EGADMP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1cccc(C(F)(F)F)c1)CC(C)C ZINC001196468709 1368621443 /nfs/dbraw/zinc/62/14/43/1368621443.db2.gz FWWGEQJWSAXGII-QGZVFWFLSA-N 2 1 346.437 3.476 20 0 EGADMP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)CC(C)C ZINC001196468709 1368621447 /nfs/dbraw/zinc/62/14/47/1368621447.db2.gz FWWGEQJWSAXGII-QGZVFWFLSA-N 2 1 346.437 3.476 20 0 EGADMP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1cccc(C(F)(F)F)c1)CC(C)C ZINC001196468709 1368621451 /nfs/dbraw/zinc/62/14/51/1368621451.db2.gz FWWGEQJWSAXGII-QGZVFWFLSA-N 2 1 346.437 3.476 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001196641371 1368654398 /nfs/dbraw/zinc/65/43/98/1368654398.db2.gz CMIWMAAOAZPMMS-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@H](C)C[NH+]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001196641371 1368654399 /nfs/dbraw/zinc/65/43/99/1368654399.db2.gz CMIWMAAOAZPMMS-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@H](C)C[NH+]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001196641371 1368654403 /nfs/dbraw/zinc/65/44/03/1368654403.db2.gz CMIWMAAOAZPMMS-SFHVURJKSA-N 2 1 337.552 3.221 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[N@@H+](CCC3CCCCCC3)CC2)CC1 ZINC001196943286 1368718056 /nfs/dbraw/zinc/71/80/56/1368718056.db2.gz MVVSXAXEHNZCLP-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCCN(C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001197125855 1368749783 /nfs/dbraw/zinc/74/97/83/1368749783.db2.gz NATJSJVPZKEOHA-IAGOWNOFSA-N 2 1 346.519 3.046 20 0 EGADMP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001112360885 1368791576 /nfs/dbraw/zinc/79/15/76/1368791576.db2.gz QOQHMONAYRXFQN-HUUJSLGLSA-N 2 1 349.563 3.125 20 0 EGADMP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001112382468 1368810610 /nfs/dbraw/zinc/81/06/10/1368810610.db2.gz ZNXCBIQEBNDBBW-ZJOUEHCJSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197485835 1368824294 /nfs/dbraw/zinc/82/42/94/1368824294.db2.gz YIIFZUKGHVOQRF-YXBWYFRISA-N 2 1 337.552 3.243 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CCC[N@@H+](CCCC(C)C)CC1)C(C)C ZINC001197484626 1368824421 /nfs/dbraw/zinc/82/44/21/1368824421.db2.gz HMKZVKFCTAZVGL-IBGZPJMESA-N 2 1 339.568 3.323 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC001199742452 1369266105 /nfs/dbraw/zinc/26/61/05/1369266105.db2.gz DJLDFQKBPLMGLN-CQSZACIVSA-N 2 1 338.879 3.323 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC001199742452 1369266112 /nfs/dbraw/zinc/26/61/12/1369266112.db2.gz DJLDFQKBPLMGLN-CQSZACIVSA-N 2 1 338.879 3.323 20 0 EGADMP CC/C=C\CC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001113252524 1369293534 /nfs/dbraw/zinc/29/35/34/1369293534.db2.gz VBBYLPDFQXLACN-HZQHCPKGSA-N 2 1 347.547 3.284 20 0 EGADMP CC/C=C\CC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001113252524 1369293538 /nfs/dbraw/zinc/29/35/38/1369293538.db2.gz VBBYLPDFQXLACN-HZQHCPKGSA-N 2 1 347.547 3.284 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)c1 ZINC001113355941 1369366692 /nfs/dbraw/zinc/36/66/92/1369366692.db2.gz YAUUDVRWCQIWFN-GOSISDBHSA-N 2 1 345.531 3.178 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)c1 ZINC001113355941 1369366696 /nfs/dbraw/zinc/36/66/96/1369366696.db2.gz YAUUDVRWCQIWFN-GOSISDBHSA-N 2 1 345.531 3.178 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](Cc2ccccc2C)CC1)C(C)C ZINC001113441800 1369431393 /nfs/dbraw/zinc/43/13/93/1369431393.db2.gz VDACHPJOCWVKPI-HXUWFJFHSA-N 2 1 345.531 3.006 20 0 EGADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC001200813140 1369432800 /nfs/dbraw/zinc/43/28/00/1369432800.db2.gz VCOUEBNYFFZJJT-GJZGRUSLSA-N 2 1 338.879 3.464 20 0 EGADMP Cc1cc(N2CCC([NH2+]Cc3ccc(F)cc3C)CC2)nc(C)[nH+]1 ZINC001200820568 1369433918 /nfs/dbraw/zinc/43/39/18/1369433918.db2.gz IXCJYXWBGGIIIS-UHFFFAOYSA-N 2 1 328.435 3.300 20 0 EGADMP CC/C=C\CC[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001201044073 1369470815 /nfs/dbraw/zinc/47/08/15/1369470815.db2.gz PBDWKLKYNFYKMB-SFFCAUCYSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001201486736 1369554564 /nfs/dbraw/zinc/55/45/64/1369554564.db2.gz MDJZVIBPNCMPMB-ZRNYENFQSA-N 2 1 345.535 3.055 20 0 EGADMP CC(C)=CCC[C@@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001201486736 1369554571 /nfs/dbraw/zinc/55/45/71/1369554571.db2.gz MDJZVIBPNCMPMB-ZRNYENFQSA-N 2 1 345.535 3.055 20 0 EGADMP CC(C)=CCC[C@@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001201486736 1369554575 /nfs/dbraw/zinc/55/45/75/1369554575.db2.gz MDJZVIBPNCMPMB-ZRNYENFQSA-N 2 1 345.535 3.055 20 0 EGADMP c1cncc(C[N@@H+]2CCOCC3(CC[NH+](CC4CCCC4)CC3)C2)c1 ZINC001202167755 1369705739 /nfs/dbraw/zinc/70/57/39/1369705739.db2.gz UTJLBVLUIDWTKR-UHFFFAOYSA-N 2 1 343.515 3.186 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001202707664 1369859997 /nfs/dbraw/zinc/85/99/97/1369859997.db2.gz GMKBLWWWWNZGRB-SREVYHEPSA-N 2 1 346.519 3.334 20 0 EGADMP CCC1(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)COC1 ZINC001202965636 1369938614 /nfs/dbraw/zinc/93/86/14/1369938614.db2.gz JFGXFNLTFQAAMK-OAQYLSRUSA-N 2 1 328.500 3.401 20 0 EGADMP CCC1(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)COC1 ZINC001202965636 1369938617 /nfs/dbraw/zinc/93/86/17/1369938617.db2.gz JFGXFNLTFQAAMK-OAQYLSRUSA-N 2 1 328.500 3.401 20 0 EGADMP CCC1(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)COC1 ZINC001202965636 1369938619 /nfs/dbraw/zinc/93/86/19/1369938619.db2.gz JFGXFNLTFQAAMK-OAQYLSRUSA-N 2 1 328.500 3.401 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)[nH]n1 ZINC001203071009 1369973162 /nfs/dbraw/zinc/97/31/62/1369973162.db2.gz GEZSBYPALCDEOI-UHFFFAOYSA-N 2 1 330.501 3.268 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)n[nH]1 ZINC001203071009 1369973168 /nfs/dbraw/zinc/97/31/68/1369973168.db2.gz GEZSBYPALCDEOI-UHFFFAOYSA-N 2 1 330.501 3.268 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)n[nH]1 ZINC001203071009 1369973169 /nfs/dbraw/zinc/97/31/69/1369973169.db2.gz GEZSBYPALCDEOI-UHFFFAOYSA-N 2 1 330.501 3.268 20 0 EGADMP OCc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001203193325 1370019302 /nfs/dbraw/zinc/01/93/02/1370019302.db2.gz KUEHWTKXSCYQGD-VXKWHMMOSA-N 2 1 336.479 3.133 20 0 EGADMP Cn1cccc1C[N@@H+]1C[C@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001203260824 1370046786 /nfs/dbraw/zinc/04/67/86/1370046786.db2.gz GLGLAZISNMRNEG-DUXKGJEZSA-N 2 1 338.499 3.153 20 0 EGADMP Cn1cccc1C[N@H+]1C[C@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001203260824 1370046790 /nfs/dbraw/zinc/04/67/90/1370046790.db2.gz GLGLAZISNMRNEG-DUXKGJEZSA-N 2 1 338.499 3.153 20 0 EGADMP Cn1cccc1C[NH+]1C[C@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001203260824 1370046797 /nfs/dbraw/zinc/04/67/97/1370046797.db2.gz GLGLAZISNMRNEG-DUXKGJEZSA-N 2 1 338.499 3.153 20 0 EGADMP Cn1cccc1C[NH+]1C[C@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001203260824 1370046802 /nfs/dbraw/zinc/04/68/02/1370046802.db2.gz GLGLAZISNMRNEG-DUXKGJEZSA-N 2 1 338.499 3.153 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CC=C(C)C)CC1 ZINC001203283228 1370062146 /nfs/dbraw/zinc/06/21/46/1370062146.db2.gz PZTCUPQUEHFRHT-IBGZPJMESA-N 2 1 335.536 3.188 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+][C@H](C)c2ccccc2F)CC1 ZINC001203442020 1370128261 /nfs/dbraw/zinc/12/82/61/1370128261.db2.gz BVNIYFUDZBUUEI-MRXNPFEDSA-N 2 1 349.494 3.199 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C12CCC2 ZINC001203507069 1370148461 /nfs/dbraw/zinc/14/84/61/1370148461.db2.gz NYXSBNOBIIYHGO-MOPGFXCFSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CCCCC2)C12CCC2 ZINC001203652728 1370202914 /nfs/dbraw/zinc/20/29/14/1370202914.db2.gz XAECORGTBFPLJY-RBUKOAKNSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001203853606 1370290352 /nfs/dbraw/zinc/29/03/52/1370290352.db2.gz UWEAYDASJQDRCV-CALCHBBNSA-N 2 1 337.552 3.266 20 0 EGADMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001203914061 1370312770 /nfs/dbraw/zinc/31/27/70/1370312770.db2.gz CTNYVGOMYZOJTO-UYAOXDASSA-N 2 1 332.463 3.006 20 0 EGADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001203914061 1370312774 /nfs/dbraw/zinc/31/27/74/1370312774.db2.gz CTNYVGOMYZOJTO-UYAOXDASSA-N 2 1 332.463 3.006 20 0 EGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC001203914061 1370312777 /nfs/dbraw/zinc/31/27/77/1370312777.db2.gz CTNYVGOMYZOJTO-UYAOXDASSA-N 2 1 332.463 3.006 20 0 EGADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC001203914061 1370312781 /nfs/dbraw/zinc/31/27/81/1370312781.db2.gz CTNYVGOMYZOJTO-UYAOXDASSA-N 2 1 332.463 3.006 20 0 EGADMP CC(=O)Nc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)cc1 ZINC001203925120 1370317198 /nfs/dbraw/zinc/31/71/98/1370317198.db2.gz XDKVHIQRKFXHSE-UHFFFAOYSA-N 2 1 338.455 3.087 20 0 EGADMP Cc1ccc(CN2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)s1 ZINC001204032437 1370354012 /nfs/dbraw/zinc/35/40/12/1370354012.db2.gz WOPPOXTZRIIJEW-UHFFFAOYSA-N 2 1 344.528 3.421 20 0 EGADMP Cc1ccc(C[NH+]2CCC3(CCCN3Cc3cnn(C)c3)CC2)s1 ZINC001204032437 1370354013 /nfs/dbraw/zinc/35/40/13/1370354013.db2.gz WOPPOXTZRIIJEW-UHFFFAOYSA-N 2 1 344.528 3.421 20 0 EGADMP CC/C=C/CC[NH2+]C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001204069396 1370366657 /nfs/dbraw/zinc/36/66/57/1370366657.db2.gz OAVJEXYEJXAVCB-SNAWJCMRSA-N 2 1 343.515 3.055 20 0 EGADMP CC/C=C/CC[NH2+]C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001204069396 1370366661 /nfs/dbraw/zinc/36/66/61/1370366661.db2.gz OAVJEXYEJXAVCB-SNAWJCMRSA-N 2 1 343.515 3.055 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC001204082739 1370370120 /nfs/dbraw/zinc/37/01/20/1370370120.db2.gz PDFIRUCIRXLUTN-SESVDKBCSA-N 2 1 336.483 3.209 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC001204082739 1370370125 /nfs/dbraw/zinc/37/01/25/1370370125.db2.gz PDFIRUCIRXLUTN-SESVDKBCSA-N 2 1 336.483 3.209 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccncc3)C[C@@H]21 ZINC001204082739 1370370131 /nfs/dbraw/zinc/37/01/31/1370370131.db2.gz PDFIRUCIRXLUTN-SESVDKBCSA-N 2 1 336.483 3.209 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccncc3)C[C@@H]21 ZINC001204082739 1370370136 /nfs/dbraw/zinc/37/01/36/1370370136.db2.gz PDFIRUCIRXLUTN-SESVDKBCSA-N 2 1 336.483 3.209 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC001204082739 1370370141 /nfs/dbraw/zinc/37/01/41/1370370141.db2.gz PDFIRUCIRXLUTN-SESVDKBCSA-N 2 1 336.483 3.209 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC001204082739 1370370145 /nfs/dbraw/zinc/37/01/45/1370370145.db2.gz PDFIRUCIRXLUTN-SESVDKBCSA-N 2 1 336.483 3.209 20 0 EGADMP CCc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)o1 ZINC001204391810 1370464192 /nfs/dbraw/zinc/46/41/92/1370464192.db2.gz UCWNMQUXVUUUCF-MSOLQXFVSA-N 2 1 325.456 3.191 20 0 EGADMP CCc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)o1 ZINC001204391810 1370464196 /nfs/dbraw/zinc/46/41/96/1370464196.db2.gz UCWNMQUXVUUUCF-MSOLQXFVSA-N 2 1 325.456 3.191 20 0 EGADMP CCc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)o1 ZINC001204391810 1370464202 /nfs/dbraw/zinc/46/42/02/1370464202.db2.gz UCWNMQUXVUUUCF-MSOLQXFVSA-N 2 1 325.456 3.191 20 0 EGADMP CCc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)o1 ZINC001204391810 1370464205 /nfs/dbraw/zinc/46/42/05/1370464205.db2.gz UCWNMQUXVUUUCF-MSOLQXFVSA-N 2 1 325.456 3.191 20 0 EGADMP Cc1c(F)cccc1C[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001204509815 1370497595 /nfs/dbraw/zinc/49/75/95/1370497595.db2.gz QELMCWFCGYHANO-HDICACEKSA-N 2 1 325.431 3.093 20 0 EGADMP Cc1c(F)cccc1CN1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001204509815 1370497597 /nfs/dbraw/zinc/49/75/97/1370497597.db2.gz QELMCWFCGYHANO-HDICACEKSA-N 2 1 325.431 3.093 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(C)cc(C)c1)C2 ZINC001204522362 1370503135 /nfs/dbraw/zinc/50/31/35/1370503135.db2.gz WYWGHQQEMXREFU-VXKWHMMOSA-N 2 1 342.527 3.484 20 0 EGADMP Cc1c(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)cnn1C ZINC001204569573 1370518602 /nfs/dbraw/zinc/51/86/02/1370518602.db2.gz VSRNLFBEHJPTRT-UHFFFAOYSA-N 2 1 344.528 3.278 20 0 EGADMP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115535489 1370532055 /nfs/dbraw/zinc/53/20/55/1370532055.db2.gz YAPLOYGIMOWHNU-IRXDYDNUSA-N 2 1 341.515 3.016 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC001115562643 1370562075 /nfs/dbraw/zinc/56/20/75/1370562075.db2.gz DJWXJPDKGWRMIP-BPLPYTOXSA-N 2 1 341.927 3.022 20 0 EGADMP Cc1cc(C[N@@H+]2CCO[C@H](CC[NH3+])C2)ccc1OCc1ccccc1 ZINC001204757274 1370569264 /nfs/dbraw/zinc/56/92/64/1370569264.db2.gz XSBKUYWUTDPBPD-HXUWFJFHSA-N 2 1 340.467 3.124 20 0 EGADMP Cc1cc(C[N@H+]2CCO[C@H](CC[NH3+])C2)ccc1OCc1ccccc1 ZINC001204757274 1370569266 /nfs/dbraw/zinc/56/92/66/1370569266.db2.gz XSBKUYWUTDPBPD-HXUWFJFHSA-N 2 1 340.467 3.124 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC1([NH2+]CCCF)CCCCC1 ZINC001115571855 1370574485 /nfs/dbraw/zinc/57/44/85/1370574485.db2.gz RIORUOXXUZLQPJ-QGZVFWFLSA-N 2 1 341.515 3.018 20 0 EGADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(O)c(OCc3ccccc3)c2)CC1 ZINC001205123472 1370656930 /nfs/dbraw/zinc/65/69/30/1370656930.db2.gz BFKGOIKACIJVAK-SFHVURJKSA-N 2 1 326.440 3.284 20 0 EGADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209136 1370681225 /nfs/dbraw/zinc/68/12/25/1370681225.db2.gz HUHYTHMINUJWEK-DYESRHJHSA-N 2 1 332.532 3.338 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1F ZINC001205222130 1370686102 /nfs/dbraw/zinc/68/61/02/1370686102.db2.gz ANVFRIUYTAUUCS-UXHICEINSA-N 2 1 339.458 3.483 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1F ZINC001205222130 1370686105 /nfs/dbraw/zinc/68/61/05/1370686105.db2.gz ANVFRIUYTAUUCS-UXHICEINSA-N 2 1 339.458 3.483 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1F ZINC001205222130 1370686109 /nfs/dbraw/zinc/68/61/09/1370686109.db2.gz ANVFRIUYTAUUCS-UXHICEINSA-N 2 1 339.458 3.483 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1F ZINC001205222130 1370686112 /nfs/dbraw/zinc/68/61/12/1370686112.db2.gz ANVFRIUYTAUUCS-UXHICEINSA-N 2 1 339.458 3.483 20 0 EGADMP Cc1ccc(Oc2cccc(C[N@H+]3CCC[C@@](O)(C[NH3+])CC3)c2)cc1 ZINC001205231435 1370689780 /nfs/dbraw/zinc/68/97/80/1370689780.db2.gz XYWSKJDGCPYVOR-NRFANRHFSA-N 2 1 340.467 3.463 20 0 EGADMP CCOc1c(Cl)cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1Cl ZINC001205239449 1370692077 /nfs/dbraw/zinc/69/20/77/1370692077.db2.gz BKUUEJZDXKUNML-INIZCTEOSA-N 2 1 347.286 3.068 20 0 EGADMP CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1Cl ZINC001205239449 1370692074 /nfs/dbraw/zinc/69/20/74/1370692074.db2.gz BKUUEJZDXKUNML-INIZCTEOSA-N 2 1 347.286 3.068 20 0 EGADMP Cc1ccc(C)c2nc(Cl)c(C[N@H+]3CCC[C@](O)(C[NH3+])CC3)cc12 ZINC001205241198 1370692196 /nfs/dbraw/zinc/69/21/96/1370692196.db2.gz ROPOUGYOMZERCZ-LJQANCHMSA-N 2 1 347.890 3.181 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273132 1370702946 /nfs/dbraw/zinc/70/29/46/1370702946.db2.gz FPMUALHEOSEEQP-FQEVSTJZSA-N 2 1 343.471 3.356 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273132 1370702950 /nfs/dbraw/zinc/70/29/50/1370702950.db2.gz FPMUALHEOSEEQP-FQEVSTJZSA-N 2 1 343.471 3.356 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205283478 1370706087 /nfs/dbraw/zinc/70/60/87/1370706087.db2.gz CRBLUNKSQHLMIB-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccnc(OCc3ccccc3)c2)CC1 ZINC001205296103 1370710579 /nfs/dbraw/zinc/71/05/79/1370710579.db2.gz GVXYVNFMIDUWBA-HXUWFJFHSA-N 2 1 325.456 3.364 20 0 EGADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccnc(OCc3ccccc3)c2)CC1 ZINC001205296103 1370710583 /nfs/dbraw/zinc/71/05/83/1370710583.db2.gz GVXYVNFMIDUWBA-HXUWFJFHSA-N 2 1 325.456 3.364 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115730945 1370713827 /nfs/dbraw/zinc/71/38/27/1370713827.db2.gz VNLNZTZKLAIMSX-HKUYNNGSSA-N 2 1 349.563 3.173 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc3ccc(Br)cc3[nH]2)C[C@@H]1C[NH3+] ZINC001205304699 1370715612 /nfs/dbraw/zinc/71/56/12/1370715612.db2.gz PGIKLWQJVUOKFA-AAEUAGOBSA-N 2 1 336.277 3.347 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001325942780 1388094294 /nfs/dbraw/zinc/09/42/94/1388094294.db2.gz OHWOQBVKKMVDMD-WSTZPKSXSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001325942780 1388094301 /nfs/dbraw/zinc/09/43/01/1388094301.db2.gz OHWOQBVKKMVDMD-WSTZPKSXSA-N 2 1 349.563 3.076 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420536 1370749563 /nfs/dbraw/zinc/74/95/63/1370749563.db2.gz YXDJICVBTNKORE-VOFKWLDRSA-N 2 1 335.536 3.045 20 0 EGADMP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H](C)Cc2cnc[nH]2)CCCCC1 ZINC001115765883 1370749985 /nfs/dbraw/zinc/74/99/85/1370749985.db2.gz JZACLFHOEKFEHJ-KRWDZBQOSA-N 2 1 348.535 3.433 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001325942780 1388094306 /nfs/dbraw/zinc/09/43/06/1388094306.db2.gz OHWOQBVKKMVDMD-WSTZPKSXSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461434 1370762552 /nfs/dbraw/zinc/76/25/52/1370762552.db2.gz IYVVVJWFJBEMRI-KRWDZBQOSA-N 2 1 346.519 3.025 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205461443 1370762562 /nfs/dbraw/zinc/76/25/62/1370762562.db2.gz JGONVVYLAOOQBG-IBGZPJMESA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205460934 1370762603 /nfs/dbraw/zinc/76/26/03/1370762603.db2.gz ATXUFHLBZDUEPD-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205519085 1370778390 /nfs/dbraw/zinc/77/83/90/1370778390.db2.gz UWDLMCVPXGJZMT-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001205519047 1370778615 /nfs/dbraw/zinc/77/86/15/1370778615.db2.gz SQXRBNNEOLMVLL-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(F)cc2Br)CC1 ZINC001205559823 1370791442 /nfs/dbraw/zinc/79/14/42/1370791442.db2.gz VCQXMFFGBAFTCH-AWEZNQCLSA-N 2 1 333.220 3.241 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(C(F)(F)F)nc2Cl)CC1 ZINC001205581952 1370799804 /nfs/dbraw/zinc/79/98/04/1370799804.db2.gz VORUOCAGPRGBHU-ZDUSSCGKSA-N 2 1 339.764 3.407 20 0 EGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)cc21 ZINC001205591990 1370803765 /nfs/dbraw/zinc/80/37/65/1370803765.db2.gz PLLNTWLCZDRURF-FQEVSTJZSA-N 3 1 331.479 3.341 20 0 EGADMP COc1ccc(Br)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205603015 1370808138 /nfs/dbraw/zinc/80/81/38/1370808138.db2.gz MRQQLCCHWJWPBZ-OLZOCXBDSA-N 2 1 341.293 3.265 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc1Br ZINC001205627650 1370818005 /nfs/dbraw/zinc/81/80/05/1370818005.db2.gz RHFVRGMUEGOYJM-JSGCOSHPSA-N 2 1 341.293 3.265 20 0 EGADMP CCCCCCOc1ccccc1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205665692 1370835318 /nfs/dbraw/zinc/83/53/18/1370835318.db2.gz TYOBOYULXSQZCW-FQEVSTJZSA-N 2 1 334.504 3.321 20 0 EGADMP COC(=O)CCCCCCCCC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205735895 1370855262 /nfs/dbraw/zinc/85/52/62/1370855262.db2.gz RDNBFACSYHJYDM-HNNXBMFYSA-N 2 1 334.451 3.196 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001325966640 1388098760 /nfs/dbraw/zinc/09/87/60/1388098760.db2.gz ZSXTXEKBWKICPY-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CCC1(F)F ZINC001205797111 1370874840 /nfs/dbraw/zinc/87/48/40/1370874840.db2.gz ZQMXRPNBHVJWRS-QGZVFWFLSA-N 2 1 332.394 3.475 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CCC1(F)F ZINC001205797111 1370874844 /nfs/dbraw/zinc/87/48/44/1370874844.db2.gz ZQMXRPNBHVJWRS-QGZVFWFLSA-N 2 1 332.394 3.475 20 0 EGADMP Cc1cc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)n(C)n1 ZINC001205890409 1370901756 /nfs/dbraw/zinc/90/17/56/1370901756.db2.gz KHXSHYBDXXDBTA-IBGZPJMESA-N 2 1 342.487 3.198 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205916279 1370909568 /nfs/dbraw/zinc/90/95/68/1370909568.db2.gz UJHTZKUMFNSABK-VXGBXAGGSA-N 2 1 332.366 3.153 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205916279 1370909571 /nfs/dbraw/zinc/90/95/71/1370909571.db2.gz UJHTZKUMFNSABK-VXGBXAGGSA-N 2 1 332.366 3.153 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1OC(F)F ZINC001205992076 1370931969 /nfs/dbraw/zinc/93/19/69/1370931969.db2.gz DGDBBIZKTZGYEB-TZMCWYRMSA-N 2 1 328.403 3.103 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC001205996107 1370933433 /nfs/dbraw/zinc/93/34/33/1370933433.db2.gz UURPDAHKVCRVMK-GXTWGEPZSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(Br)c2)CCC[C@@H]1C[NH3+] ZINC001206003679 1370935253 /nfs/dbraw/zinc/93/52/53/1370935253.db2.gz LATWMKIVZXSGFH-DGCLKSJQSA-N 2 1 329.257 3.395 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cc(Cl)ncc2Br)CCC[C@@H]1C[NH3+] ZINC001206003617 1370935531 /nfs/dbraw/zinc/93/55/31/1370935531.db2.gz KGSZMVVMHSIFOO-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206012039 1370937879 /nfs/dbraw/zinc/93/78/79/1370937879.db2.gz IDOQGGNAIYOTRO-QWHCGFSZSA-N 2 1 346.393 3.401 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001206026244 1370941933 /nfs/dbraw/zinc/94/19/33/1370941933.db2.gz RCAVIFBHFIKSQJ-GOEBONIOSA-N 2 1 332.879 3.333 20 0 EGADMP CCSc1ncc2cccc(C[N@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)n21 ZINC001206036693 1370944576 /nfs/dbraw/zinc/94/45/76/1370944576.db2.gz OCENMEPKWBGJDB-CABCVRRESA-N 2 1 332.517 3.253 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(F)c(F)c1Cl ZINC001206037518 1370946196 /nfs/dbraw/zinc/94/61/96/1370946196.db2.gz WAILOOXFTKLKKH-MNOVXSKESA-N 2 1 332.822 3.434 20 0 EGADMP C[C@H]1C[N@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)CCC[C@@H]1C ZINC001206110309 1370961703 /nfs/dbraw/zinc/96/17/03/1370961703.db2.gz SUIUJVCXYKLJKP-HOTGVXAUSA-N 2 1 341.503 3.064 20 0 EGADMP CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001206157146 1370974240 /nfs/dbraw/zinc/97/42/40/1370974240.db2.gz WKJLPIKXZILXHE-RCCFBDPRSA-N 2 1 326.500 3.415 20 0 EGADMP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001206157146 1370974243 /nfs/dbraw/zinc/97/42/43/1370974243.db2.gz WKJLPIKXZILXHE-RCCFBDPRSA-N 2 1 326.500 3.415 20 0 EGADMP Cc1cc(N2CCN(Cc3ccc(C[NH3+])cc3)CC2)c2ccccc2[nH+]1 ZINC001206284939 1371012057 /nfs/dbraw/zinc/01/20/57/1371012057.db2.gz JKXRVBHFTYROJR-UHFFFAOYSA-N 2 1 346.478 3.324 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(OC)cc1Cl ZINC001206317021 1371020233 /nfs/dbraw/zinc/02/02/33/1371020233.db2.gz BAIFZSHKVDKPTG-QGZVFWFLSA-N 2 1 326.868 3.308 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2cncc(Br)c2Cl)CC1 ZINC001206334887 1371026107 /nfs/dbraw/zinc/02/61/07/1371026107.db2.gz AIKIREKWKQUQAV-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cncc(Br)c2Cl)CC1 ZINC001206334887 1371026111 /nfs/dbraw/zinc/02/61/11/1371026111.db2.gz AIKIREKWKQUQAV-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP CCOC(=O)c1ccc2c(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)c[nH]c2c1 ZINC001206337627 1371027070 /nfs/dbraw/zinc/02/70/70/1371027070.db2.gz UPZWDNUPKUSFIH-HXUWFJFHSA-N 2 1 343.471 3.296 20 0 EGADMP COc1ccc(C[NH+]2CCC(CC[NH3+])CC2)c(OC(F)(F)F)c1 ZINC001206499835 1371074040 /nfs/dbraw/zinc/07/40/40/1371074040.db2.gz DPCTZOCIZAZAJQ-UHFFFAOYSA-N 2 1 332.366 3.155 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206547575 1371089894 /nfs/dbraw/zinc/08/98/94/1371089894.db2.gz JKXZXDNWZYDMJV-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC001206549361 1371090984 /nfs/dbraw/zinc/09/09/84/1371090984.db2.gz LXLNAGGVRRPRSZ-IBGZPJMESA-N 2 1 326.444 3.220 20 0 EGADMP CC(C)[N@H+](C[C@@H](C)Cc1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]CC1 ZINC001206581441 1371099124 /nfs/dbraw/zinc/09/91/24/1371099124.db2.gz IWGXAMYRPZABFS-FUHWJXTLSA-N 2 1 332.488 3.446 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cccn2Cc2cnc(Cl)s2)C1 ZINC001206624327 1371111610 /nfs/dbraw/zinc/11/16/10/1371111610.db2.gz UROUVEMFVRWBQB-ZDUSSCGKSA-N 2 1 338.908 3.207 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccn2Cc2cnc(Cl)s2)C1 ZINC001206624327 1371111612 /nfs/dbraw/zinc/11/16/12/1371111612.db2.gz UROUVEMFVRWBQB-ZDUSSCGKSA-N 2 1 338.908 3.207 20 0 EGADMP [NH3+]C[C@@H]1CCCCN(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)C1 ZINC001206646898 1371118224 /nfs/dbraw/zinc/11/82/24/1371118224.db2.gz DXTWXLGIUYYESS-NSHDSACASA-N 2 1 342.365 3.022 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccncc1Cl ZINC001117997173 1371118633 /nfs/dbraw/zinc/11/86/33/1371118633.db2.gz JLSKACGNIWNWMB-OAHLLOKOSA-N 2 1 344.890 3.338 20 0 EGADMP COc1cc(F)ccc1-c1cncc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206649145 1371119509 /nfs/dbraw/zinc/11/95/09/1371119509.db2.gz RLDNVBODJMZANL-OAHLLOKOSA-N 2 1 343.446 3.457 20 0 EGADMP COc1ccc(-c2ncc(C[N@H+]3C[C@H](C[NH3+])CC[C@@H]3C)s2)cc1 ZINC001206768345 1371158635 /nfs/dbraw/zinc/15/86/35/1371158635.db2.gz JUTRCWXEXLDPOA-KBPBESRZSA-N 2 1 331.485 3.378 20 0 EGADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)ccc1OC(F)(F)F ZINC001206810813 1371177222 /nfs/dbraw/zinc/17/72/22/1371177222.db2.gz PSTWDNDPGAHGIK-DGCLKSJQSA-N 2 1 332.366 3.153 20 0 EGADMP CCC/C=C\CC[NH2+]CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206947623 1371240045 /nfs/dbraw/zinc/24/00/45/1371240045.db2.gz CJYPITPYZZLLBM-ARHOITHKSA-N 2 1 349.563 3.434 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001206952159 1371242296 /nfs/dbraw/zinc/24/22/96/1371242296.db2.gz BECCPUDXFOZQKW-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001206952303 1371243113 /nfs/dbraw/zinc/24/31/13/1371243113.db2.gz IVZCOPMPJGMQHP-ZMBJWTFHSA-N 2 1 335.536 3.045 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001206974588 1371254705 /nfs/dbraw/zinc/25/47/05/1371254705.db2.gz JMSRIFGWZTVPCN-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001206974588 1371254709 /nfs/dbraw/zinc/25/47/09/1371254709.db2.gz JMSRIFGWZTVPCN-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001206974588 1371254714 /nfs/dbraw/zinc/25/47/14/1371254714.db2.gz JMSRIFGWZTVPCN-QWFCFKBJSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H]1[N@@H+](CC(C)(C)C[NH+](C)C)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001207280423 1371349248 /nfs/dbraw/zinc/34/92/48/1371349248.db2.gz RPNCXOUBFLVCON-NQIIRXRSSA-N 2 1 349.563 3.220 20 0 EGADMP O[C@@]1(CF)CCCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207286348 1371351562 /nfs/dbraw/zinc/35/15/62/1371351562.db2.gz GPPZDMQEGINUHV-HXUWFJFHSA-N 2 1 334.479 3.085 20 0 EGADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001207377067 1371378743 /nfs/dbraw/zinc/37/87/43/1371378743.db2.gz GGOIDDUNNBTVPL-MRXNPFEDSA-N 2 1 327.513 3.050 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001207397200 1371384421 /nfs/dbraw/zinc/38/44/21/1371384421.db2.gz FZRWOTTYEMWTKU-FKBYEOEOSA-N 3 1 341.543 3.439 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001207397200 1371384426 /nfs/dbraw/zinc/38/44/26/1371384426.db2.gz FZRWOTTYEMWTKU-FKBYEOEOSA-N 3 1 341.543 3.439 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001207397200 1371384430 /nfs/dbraw/zinc/38/44/30/1371384430.db2.gz FZRWOTTYEMWTKU-FKBYEOEOSA-N 3 1 341.543 3.439 20 0 EGADMP CC[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207399711 1371385182 /nfs/dbraw/zinc/38/51/82/1371385182.db2.gz RPKZPVDOBDNGNW-QGZVFWFLSA-N 2 1 339.524 3.050 20 0 EGADMP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCCOC2)CC3)c1 ZINC001207464972 1371402784 /nfs/dbraw/zinc/40/27/84/1371402784.db2.gz UDQCVFIPHUXEQG-KRWDZBQOSA-N 2 1 334.529 3.463 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@@H]1CCCOC1)CC2 ZINC001207463014 1371402984 /nfs/dbraw/zinc/40/29/84/1371402984.db2.gz DJELPRLEGKLBSL-HKUYNNGSSA-N 2 1 332.488 3.383 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@@H]1CCCOC1)CC2 ZINC001207463017 1371402992 /nfs/dbraw/zinc/40/29/92/1371402992.db2.gz DJELPRLEGKLBSL-PKOBYXMFSA-N 2 1 332.488 3.383 20 0 EGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207479937 1371408468 /nfs/dbraw/zinc/40/84/68/1371408468.db2.gz QALQPEMQDLAFAZ-IYBDPMFKSA-N 2 1 339.524 3.048 20 0 EGADMP C[C@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001207481995 1371409707 /nfs/dbraw/zinc/40/97/07/1371409707.db2.gz QAWJFKCOVQGYDZ-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001207487153 1371411287 /nfs/dbraw/zinc/41/12/87/1371411287.db2.gz RDGVLGZITMQWRQ-KRWDZBQOSA-N 2 1 339.524 3.098 20 0 EGADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2CCC2CC[NH+](C)CC2)cc1 ZINC001207488379 1371411923 /nfs/dbraw/zinc/41/19/23/1371411923.db2.gz JZVDDCPKAUHZSE-IBGZPJMESA-N 2 1 330.472 3.342 20 0 EGADMP C[N@H+](CCC[NH+]1CCCC1)CCc1ccccc1Br ZINC001207532242 1371426939 /nfs/dbraw/zinc/42/69/39/1371426939.db2.gz QZFYHHODFVBJFG-UHFFFAOYSA-N 2 1 325.294 3.409 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)CCc1ccccc1Br ZINC001207532242 1371426943 /nfs/dbraw/zinc/42/69/43/1371426943.db2.gz QZFYHHODFVBJFG-UHFFFAOYSA-N 2 1 325.294 3.409 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(C)c1C1CC1 ZINC001119948595 1371429985 /nfs/dbraw/zinc/42/99/85/1371429985.db2.gz KMDHJBZLFKEAEB-OXQOHEQNSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(C)c1C1CC1 ZINC001119948595 1371429988 /nfs/dbraw/zinc/42/99/88/1371429988.db2.gz KMDHJBZLFKEAEB-OXQOHEQNSA-N 2 1 338.499 3.298 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(-c4ccccn4)n3)C[C@@H]2C1 ZINC001119990324 1371444163 /nfs/dbraw/zinc/44/41/63/1371444163.db2.gz VQBKYNOUPZPZPC-HLLBOEOZSA-N 2 1 342.512 3.367 20 0 EGADMP C[NH+]1CCC(CN2CC[NH+](CCCc3cccc(Cl)c3)CC2)CC1 ZINC001207594536 1371446276 /nfs/dbraw/zinc/44/62/76/1371446276.db2.gz ZMEJMPSDVGHYQT-UHFFFAOYSA-N 2 1 349.950 3.232 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3csc(C(F)(F)F)n3)C[C@@H]2C1 ZINC001120070896 1371477748 /nfs/dbraw/zinc/47/77/48/1371477748.db2.gz CTPNJFKMHFMGJD-GMXVVIOVSA-N 2 1 333.423 3.324 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3csc(C(F)(F)F)n3)C[C@@H]2C1 ZINC001120070896 1371477749 /nfs/dbraw/zinc/47/77/49/1371477749.db2.gz CTPNJFKMHFMGJD-GMXVVIOVSA-N 2 1 333.423 3.324 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCCC3CCCC3)CCCCC2)C1 ZINC001120129703 1371492039 /nfs/dbraw/zinc/49/20/39/1371492039.db2.gz MDFHDFVVFWPOPR-LJQANCHMSA-N 2 1 349.563 3.317 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207790074 1371504772 /nfs/dbraw/zinc/50/47/72/1371504772.db2.gz KVWSDRZIXSOKEI-RXOIRPBWSA-N 2 1 349.563 3.432 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001207790074 1371504774 /nfs/dbraw/zinc/50/47/74/1371504774.db2.gz KVWSDRZIXSOKEI-RXOIRPBWSA-N 2 1 349.563 3.432 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001207790074 1371504778 /nfs/dbraw/zinc/50/47/78/1371504778.db2.gz KVWSDRZIXSOKEI-RXOIRPBWSA-N 2 1 349.563 3.432 20 0 EGADMP c1ccc(C2(C[N@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)CC2)cc1 ZINC001207834464 1371515274 /nfs/dbraw/zinc/51/52/74/1371515274.db2.gz VLHYJFPGNFLXLL-BGYRXZFFSA-N 2 1 333.479 3.177 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCC[NH+]2CC=C(C)C)C1 ZINC001120401446 1371562314 /nfs/dbraw/zinc/56/23/14/1371562314.db2.gz JEGCBFGMBKIZPQ-RTBURBONSA-N 2 1 349.563 3.386 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC=C(C)C)C1 ZINC001120401446 1371562320 /nfs/dbraw/zinc/56/23/20/1371562320.db2.gz JEGCBFGMBKIZPQ-RTBURBONSA-N 2 1 349.563 3.386 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC=C(C)C)C1 ZINC001120401446 1371562322 /nfs/dbraw/zinc/56/23/22/1371562322.db2.gz JEGCBFGMBKIZPQ-RTBURBONSA-N 2 1 349.563 3.386 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001208073768 1371588138 /nfs/dbraw/zinc/58/81/38/1371588138.db2.gz OQMGZMBLQPXQFS-SJORKVTESA-N 2 1 348.535 3.413 20 0 EGADMP C[NH+]1CCC(C)(CN2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)CC1 ZINC001208109072 1371596310 /nfs/dbraw/zinc/59/63/10/1371596310.db2.gz LHPSWGIHTMDFFS-OAQYLSRUSA-N 2 1 341.543 3.414 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001208116234 1371599856 /nfs/dbraw/zinc/59/98/56/1371599856.db2.gz RXHGAFMUXUQNLD-LJQANCHMSA-N 2 1 344.499 3.174 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C[C@@H]3CCC(C)=C[C@H]3C)CC2)C1 ZINC001208169608 1371616394 /nfs/dbraw/zinc/61/63/94/1371616394.db2.gz QTTKRKMQNMXSDN-CEXWTWQISA-N 2 1 348.531 3.328 20 0 EGADMP COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208185763 1371627006 /nfs/dbraw/zinc/62/70/06/1371627006.db2.gz QBJPTAQIUGKKGB-AZUAARDMSA-N 2 1 338.536 3.016 20 0 EGADMP COc1cccnc1O[C@H]1CCC[N@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208188531 1371631540 /nfs/dbraw/zinc/63/15/40/1371631540.db2.gz INLASDXSIITVKG-KRWDZBQOSA-N 2 1 347.503 3.055 20 0 EGADMP COc1cccnc1O[C@H]1CCC[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208188531 1371631544 /nfs/dbraw/zinc/63/15/44/1371631544.db2.gz INLASDXSIITVKG-KRWDZBQOSA-N 2 1 347.503 3.055 20 0 EGADMP C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326310953 1388149457 /nfs/dbraw/zinc/14/94/57/1388149457.db2.gz MNXZPOHFEVOYNA-INIZCTEOSA-N 2 1 340.471 3.187 20 0 EGADMP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208330622 1371719154 /nfs/dbraw/zinc/71/91/54/1371719154.db2.gz AUDKSNCLOZHWJK-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001208359750 1371734782 /nfs/dbraw/zinc/73/47/82/1371734782.db2.gz ZYGYOKMUSVVCFS-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001208446923 1371768588 /nfs/dbraw/zinc/76/85/88/1371768588.db2.gz DDXOWLAUVMUQKN-CRAIPNDOSA-N 2 1 349.494 3.198 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001208447155 1371769822 /nfs/dbraw/zinc/76/98/22/1371769822.db2.gz IXVREEVAFWLGGB-SJLPKXTDSA-N 2 1 331.504 3.059 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208474664 1371781338 /nfs/dbraw/zinc/78/13/38/1371781338.db2.gz OAKCPYDHERRFFV-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCC[NH+]3CCC[C@H]3C2)cc1 ZINC001208588693 1371829947 /nfs/dbraw/zinc/82/99/47/1371829947.db2.gz KPNKVKWRBBKURD-LEWJYISDSA-N 2 1 327.516 3.211 20 0 EGADMP c1ccc(C[NH+]2CCCC[C@@H]2CN2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001208588693 1371829953 /nfs/dbraw/zinc/82/99/53/1371829953.db2.gz KPNKVKWRBBKURD-LEWJYISDSA-N 2 1 327.516 3.211 20 0 EGADMP c1ccc(C[NH+]2CCCC[C@@H]2CN2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC001208588693 1371829964 /nfs/dbraw/zinc/82/99/64/1371829964.db2.gz KPNKVKWRBBKURD-LEWJYISDSA-N 2 1 327.516 3.211 20 0 EGADMP C[N@@H+](C1CC1)[C@H]1CCN(C[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001208590818 1371831187 /nfs/dbraw/zinc/83/11/87/1371831187.db2.gz GKNCLOQYTHOJGD-SFTDATJTSA-N 2 1 327.516 3.210 20 0 EGADMP C[NH+](C1CC1)[C@H]1CCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001208590818 1371831191 /nfs/dbraw/zinc/83/11/91/1371831191.db2.gz GKNCLOQYTHOJGD-SFTDATJTSA-N 2 1 327.516 3.210 20 0 EGADMP C[NH+](C1CC1)[C@H]1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208590818 1371831193 /nfs/dbraw/zinc/83/11/93/1371831193.db2.gz GKNCLOQYTHOJGD-SFTDATJTSA-N 2 1 327.516 3.210 20 0 EGADMP CC[N@H+]1CCN(C[C@@H]2CCCC[NH+]2Cc2ccccc2)C(C)(C)C1 ZINC001208595441 1371833641 /nfs/dbraw/zinc/83/36/41/1371833641.db2.gz SVYKNZBDYKWNAX-FQEVSTJZSA-N 2 1 329.532 3.457 20 0 EGADMP CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C(C)(C)C1 ZINC001208595441 1371833644 /nfs/dbraw/zinc/83/36/44/1371833644.db2.gz SVYKNZBDYKWNAX-FQEVSTJZSA-N 2 1 329.532 3.457 20 0 EGADMP CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C(C)(C)C1 ZINC001208595441 1371833645 /nfs/dbraw/zinc/83/36/45/1371833645.db2.gz SVYKNZBDYKWNAX-FQEVSTJZSA-N 2 1 329.532 3.457 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)CC1 ZINC001208598569 1371834651 /nfs/dbraw/zinc/83/46/51/1371834651.db2.gz SVCRQHBCXHWJLX-UHFFFAOYSA-N 2 1 339.524 3.050 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001208596017 1371835077 /nfs/dbraw/zinc/83/50/77/1371835077.db2.gz ZIJJSRRZRNGRIJ-QGZVFWFLSA-N 2 1 339.524 3.098 20 0 EGADMP CC[NH+]1CCC(C[NH+]2CCN([C@@H]3CCCc4ccccc43)CC2)CC1 ZINC001208600998 1371836336 /nfs/dbraw/zinc/83/63/36/1371836336.db2.gz IZTBXQWSUHEWPX-JOCHJYFZSA-N 2 1 341.543 3.414 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001208604556 1371838646 /nfs/dbraw/zinc/83/86/46/1371838646.db2.gz QHWWMGAGFUIAOR-OAHLLOKOSA-N 2 1 341.421 3.169 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001208604556 1371838649 /nfs/dbraw/zinc/83/86/49/1371838649.db2.gz QHWWMGAGFUIAOR-OAHLLOKOSA-N 2 1 341.421 3.169 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC3(C[C@H](c4ccccc4)CO3)CC2)C1 ZINC001208611294 1371840565 /nfs/dbraw/zinc/84/05/65/1371840565.db2.gz BNAXKXDIZFSYDF-QUCCMNQESA-N 2 1 328.500 3.367 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(C[C@H](c4ccccc4)CO3)CC2)C1 ZINC001208611294 1371840567 /nfs/dbraw/zinc/84/05/67/1371840567.db2.gz BNAXKXDIZFSYDF-QUCCMNQESA-N 2 1 328.500 3.367 20 0 EGADMP C[N@H+]1CCC[C@H](CN2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616295 1371842680 /nfs/dbraw/zinc/84/26/80/1371842680.db2.gz ZYCHRPKGGDGWBI-FDFHNCONSA-N 2 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC[C@H](CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616295 1371842682 /nfs/dbraw/zinc/84/26/82/1371842682.db2.gz ZYCHRPKGGDGWBI-FDFHNCONSA-N 2 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC[C@H](CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616295 1371842685 /nfs/dbraw/zinc/84/26/85/1371842685.db2.gz ZYCHRPKGGDGWBI-FDFHNCONSA-N 2 1 341.543 3.172 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616295 1371842689 /nfs/dbraw/zinc/84/26/89/1371842689.db2.gz ZYCHRPKGGDGWBI-FDFHNCONSA-N 3 1 341.543 3.172 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616295 1371842690 /nfs/dbraw/zinc/84/26/90/1371842690.db2.gz ZYCHRPKGGDGWBI-FDFHNCONSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616295 1371842695 /nfs/dbraw/zinc/84/26/95/1371842695.db2.gz ZYCHRPKGGDGWBI-FDFHNCONSA-N 3 1 341.543 3.172 20 0 EGADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616295 1371842698 /nfs/dbraw/zinc/84/26/98/1371842698.db2.gz ZYCHRPKGGDGWBI-FDFHNCONSA-N 3 1 341.543 3.172 20 0 EGADMP CN1CCC[C@H](C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616295 1371842700 /nfs/dbraw/zinc/84/27/00/1371842700.db2.gz ZYCHRPKGGDGWBI-FDFHNCONSA-N 2 1 341.543 3.172 20 0 EGADMP CN1CCC[C@H](C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616295 1371842703 /nfs/dbraw/zinc/84/27/03/1371842703.db2.gz ZYCHRPKGGDGWBI-FDFHNCONSA-N 2 1 341.543 3.172 20 0 EGADMP CN1CCC[C@H](C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616295 1371842705 /nfs/dbraw/zinc/84/27/05/1371842705.db2.gz ZYCHRPKGGDGWBI-FDFHNCONSA-N 2 1 341.543 3.172 20 0 EGADMP CN1CCC[C@H](C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208616295 1371842709 /nfs/dbraw/zinc/84/27/09/1371842709.db2.gz ZYCHRPKGGDGWBI-FDFHNCONSA-N 2 1 341.543 3.172 20 0 EGADMP COc1cccc(OCC2CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC001208616480 1371843100 /nfs/dbraw/zinc/84/31/00/1371843100.db2.gz LGDQTDPWSGAWMJ-SFHVURJKSA-N 2 1 332.488 3.128 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208646467 1371850106 /nfs/dbraw/zinc/85/01/06/1371850106.db2.gz LVKBDDBICUGXAQ-RCCFBDPRSA-N 2 1 339.568 3.083 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001208646467 1371850110 /nfs/dbraw/zinc/85/01/10/1371850110.db2.gz LVKBDDBICUGXAQ-RCCFBDPRSA-N 2 1 339.568 3.083 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001208646467 1371850117 /nfs/dbraw/zinc/85/01/17/1371850117.db2.gz LVKBDDBICUGXAQ-RCCFBDPRSA-N 2 1 339.568 3.083 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2CCC(C)(C)c1ccccc1 ZINC001208666113 1371855570 /nfs/dbraw/zinc/85/55/70/1371855570.db2.gz KURUGXFEFAFZFR-UXHICEINSA-N 2 1 329.532 3.065 20 0 EGADMP C[C@@H](C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2)C(F)(F)F ZINC001208888487 1371933136 /nfs/dbraw/zinc/93/31/36/1371933136.db2.gz QFJQFDCQBXJSBT-AWEZNQCLSA-N 2 1 346.393 3.145 20 0 EGADMP C[C@@H](C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2)C(F)(F)F ZINC001208888487 1371933139 /nfs/dbraw/zinc/93/31/39/1371933139.db2.gz QFJQFDCQBXJSBT-AWEZNQCLSA-N 2 1 346.393 3.145 20 0 EGADMP C[C@@H](C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1)C(F)(F)F ZINC001208893479 1371934814 /nfs/dbraw/zinc/93/48/14/1371934814.db2.gz WMDBPUZMGOXLFZ-AWEZNQCLSA-N 2 1 344.425 3.049 20 0 EGADMP C[C@@H](C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1)C(F)(F)F ZINC001208893479 1371934817 /nfs/dbraw/zinc/93/48/17/1371934817.db2.gz WMDBPUZMGOXLFZ-AWEZNQCLSA-N 2 1 344.425 3.049 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CC[C@H]([NH+]4CCCC4)C3)C2)cc1 ZINC001208934695 1371951932 /nfs/dbraw/zinc/95/19/32/1371951932.db2.gz FXKPVAJBAKKVKU-SFTDATJTSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CC[C@]4(C3)CCCOC4)C2)cc1 ZINC001208940052 1371955319 /nfs/dbraw/zinc/95/53/19/1371955319.db2.gz OEAZXZRZHYRNSK-RTWAWAEBSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CC[C@]4(C3)CCCOC4)C2)cc1 ZINC001208940052 1371955322 /nfs/dbraw/zinc/95/53/22/1371955322.db2.gz OEAZXZRZHYRNSK-RTWAWAEBSA-N 2 1 328.500 3.401 20 0 EGADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CC[C@]4(C3)CCCOC4)C2)cc1 ZINC001208940052 1371955327 /nfs/dbraw/zinc/95/53/27/1371955327.db2.gz OEAZXZRZHYRNSK-RTWAWAEBSA-N 2 1 328.500 3.401 20 0 EGADMP CCCCC[NH+]1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208948798 1371961478 /nfs/dbraw/zinc/96/14/78/1371961478.db2.gz ILENQNAUAWITNM-OAQYLSRUSA-N 2 1 329.532 3.316 20 0 EGADMP CCOC(=O)CC[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001209039106 1371980623 /nfs/dbraw/zinc/98/06/23/1371980623.db2.gz RMNCYTWWYPEXGF-UHFFFAOYSA-N 2 1 344.499 3.318 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142883 1372012770 /nfs/dbraw/zinc/01/27/70/1372012770.db2.gz WWXUEVHOABWUJG-ODWICZQRSA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209142883 1372012773 /nfs/dbraw/zinc/01/27/73/1372012773.db2.gz WWXUEVHOABWUJG-ODWICZQRSA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209142883 1372012778 /nfs/dbraw/zinc/01/27/78/1372012778.db2.gz WWXUEVHOABWUJG-ODWICZQRSA-N 2 1 349.563 3.432 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857896 1388178389 /nfs/dbraw/zinc/17/83/89/1388178389.db2.gz UQFZGXSPECLOKO-MRNGTQDMSA-N 2 1 347.547 3.138 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001187857896 1388178395 /nfs/dbraw/zinc/17/83/95/1388178395.db2.gz UQFZGXSPECLOKO-MRNGTQDMSA-N 2 1 347.547 3.138 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001187857896 1388178400 /nfs/dbraw/zinc/17/84/00/1388178400.db2.gz UQFZGXSPECLOKO-MRNGTQDMSA-N 2 1 347.547 3.138 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001121861823 1372106674 /nfs/dbraw/zinc/10/66/74/1372106674.db2.gz XTKZAYHIQGRWDN-MBEFBZSESA-N 2 1 349.563 3.457 20 0 EGADMP c1cc(C[N@@H+]2CCC3(C2)CCN(CCC[NH+]2CCCCC2)CC3)co1 ZINC001209451233 1372109361 /nfs/dbraw/zinc/10/93/61/1372109361.db2.gz VKQJTGQEMJGAKM-UHFFFAOYSA-N 2 1 345.531 3.444 20 0 EGADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+](CCC[NH+]2CCCCC2)CC3)co1 ZINC001209451233 1372109366 /nfs/dbraw/zinc/10/93/66/1372109366.db2.gz VKQJTGQEMJGAKM-UHFFFAOYSA-N 3 1 345.531 3.444 20 0 EGADMP c1cc(C[N@@H+]2CCC3(C2)CC[NH+](CCC[NH+]2CCCCC2)CC3)co1 ZINC001209451233 1372109370 /nfs/dbraw/zinc/10/93/70/1372109370.db2.gz VKQJTGQEMJGAKM-UHFFFAOYSA-N 3 1 345.531 3.444 20 0 EGADMP c1cncc(OC[C@@]23CCC[C@@H]2C[N@H+](CCC[NH+]2CCCCC2)C3)c1 ZINC001209451932 1372109430 /nfs/dbraw/zinc/10/94/30/1372109430.db2.gz XDMDBAHAWIWXJB-CTNGQTDRSA-N 2 1 343.515 3.439 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122055378 1372163807 /nfs/dbraw/zinc/16/38/07/1372163807.db2.gz BPQCIVVTAKCUCG-PPDYRMFTSA-N 2 1 349.563 3.027 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1)CC(C)(C)C ZINC001209691457 1372171332 /nfs/dbraw/zinc/17/13/32/1372171332.db2.gz VYWHCKPEADOZIB-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP C[NH+]1CCN(C2CC[NH+](Cc3cc4cc(Cl)ccc4[nH]3)CC2)CC1 ZINC001209722809 1372177162 /nfs/dbraw/zinc/17/71/62/1372177162.db2.gz HRGJNTPEOPWXJF-UHFFFAOYSA-N 2 1 346.906 3.033 20 0 EGADMP Cn1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c2cccnc21 ZINC001209748099 1372182549 /nfs/dbraw/zinc/18/25/49/1372182549.db2.gz BUTJTQMGVQGLED-SFHVURJKSA-N 2 1 326.488 3.414 20 0 EGADMP CC[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209930665 1372233811 /nfs/dbraw/zinc/23/38/11/1372233811.db2.gz DBAGQWDENGRSJJ-DLBZAZTESA-N 2 1 334.508 3.023 20 0 EGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209950661 1372239722 /nfs/dbraw/zinc/23/97/22/1372239722.db2.gz GMRCOOUAISONPP-RBUKOAKNSA-N 2 1 337.552 3.410 20 0 EGADMP Cc1c(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001122502251 1372261282 /nfs/dbraw/zinc/26/12/82/1372261282.db2.gz INISZLKZLPJTMB-GOSISDBHSA-N 2 1 335.407 3.074 20 0 EGADMP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210244526 1372303672 /nfs/dbraw/zinc/30/36/72/1372303672.db2.gz SYTZWYXPCLAIEV-MISYRCLQSA-N 2 1 345.531 3.306 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210244526 1372303675 /nfs/dbraw/zinc/30/36/75/1372303675.db2.gz SYTZWYXPCLAIEV-MISYRCLQSA-N 2 1 345.531 3.306 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210244526 1372303678 /nfs/dbraw/zinc/30/36/78/1372303678.db2.gz SYTZWYXPCLAIEV-MISYRCLQSA-N 2 1 345.531 3.306 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210244526 1372303683 /nfs/dbraw/zinc/30/36/83/1372303683.db2.gz SYTZWYXPCLAIEV-MISYRCLQSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001210492870 1372366169 /nfs/dbraw/zinc/36/61/69/1372366169.db2.gz FDDVFNOEYKIQGK-OALUTQOASA-N 2 1 345.531 3.287 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(C(C)C)cc2)C[C@H]1C ZINC001210514564 1372370209 /nfs/dbraw/zinc/37/02/09/1372370209.db2.gz YKHXVKPMLOTWAQ-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2)C[C@H]1C ZINC001210514564 1372370213 /nfs/dbraw/zinc/37/02/13/1372370213.db2.gz YKHXVKPMLOTWAQ-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(C)C)cc2)C[C@H]1C ZINC001210514564 1372370218 /nfs/dbraw/zinc/37/02/18/1372370218.db2.gz YKHXVKPMLOTWAQ-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210643790 1372398544 /nfs/dbraw/zinc/39/85/44/1372398544.db2.gz LEUYGAXEKIIKBC-WOJBJXKFSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001210772873 1372424383 /nfs/dbraw/zinc/42/43/83/1372424383.db2.gz CBDPDEMALZKPBT-RVPHRTOXSA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001210796454 1372427820 /nfs/dbraw/zinc/42/78/20/1372427820.db2.gz HHASLRVXEQYAPW-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001210796409 1372428235 /nfs/dbraw/zinc/42/82/35/1372428235.db2.gz FXVZERXVIBCBPX-VQTJNVASSA-N 2 1 345.531 3.450 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211268340 1372516449 /nfs/dbraw/zinc/51/64/49/1372516449.db2.gz IQYPNPOUGVNOLD-UXHICEINSA-N 2 1 345.531 3.306 20 0 EGADMP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211268010 1372516793 /nfs/dbraw/zinc/51/67/93/1372516793.db2.gz GAUWHAZXGBFBRN-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001211284521 1372520736 /nfs/dbraw/zinc/52/07/36/1372520736.db2.gz MDKKWYLOIALULV-BESKYLIDSA-N 2 1 343.515 3.011 20 0 EGADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211443878 1372559258 /nfs/dbraw/zinc/55/92/58/1372559258.db2.gz JYAOVHLSPSXCOV-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc3ccncc3c2)no1 ZINC001212145225 1372663609 /nfs/dbraw/zinc/66/36/09/1372663609.db2.gz OSYMLAOZFZRUOP-KRWDZBQOSA-N 2 1 339.443 3.453 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001127066261 1373079310 /nfs/dbraw/zinc/07/93/10/1373079310.db2.gz KLQCBNNKNOKMIK-IBGZPJMESA-N 2 1 345.531 3.063 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214611310 1373089459 /nfs/dbraw/zinc/08/94/59/1373089459.db2.gz ZGHNWMOOIOKVJP-NCPJDUFYSA-N 2 1 335.536 3.042 20 0 EGADMP CC(C)(C)CCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356580 1373118783 /nfs/dbraw/zinc/11/87/83/1373118783.db2.gz IAPWCSBWGCTOFX-KRWDZBQOSA-N 2 1 337.552 3.173 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855699 1373130510 /nfs/dbraw/zinc/13/05/10/1373130510.db2.gz LFEZCDYCJJCERA-PIMGTZPVSA-N 2 1 347.547 3.186 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+][C@@H](C)c1ccccc1F ZINC001127680144 1373159484 /nfs/dbraw/zinc/15/94/84/1373159484.db2.gz SMZUUGCFGYRSOP-GJZGRUSLSA-N 2 1 346.450 3.003 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+]CCCC1CCCC1 ZINC001127685252 1373162007 /nfs/dbraw/zinc/16/20/07/1373162007.db2.gz KMKHLWQTUPAGLU-MRXNPFEDSA-N 2 1 334.508 3.073 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)C)C1 ZINC001215973020 1373252747 /nfs/dbraw/zinc/25/27/47/1373252747.db2.gz LOQIXARRRDFCOG-RTBURBONSA-N 2 1 339.568 3.371 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001216226266 1373285148 /nfs/dbraw/zinc/28/51/48/1373285148.db2.gz PZNADZMKJZOIGP-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC001129418623 1373381509 /nfs/dbraw/zinc/38/15/09/1373381509.db2.gz VYAPGIGQLVEPSC-WOJBJXKFSA-N 2 1 343.515 3.251 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+][C@H]1CCCc2ccccc21 ZINC001129423872 1373382798 /nfs/dbraw/zinc/38/27/98/1373382798.db2.gz XXXRYQBRBOGTAR-ICSRJNTNSA-N 2 1 343.515 3.033 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205742 1388264304 /nfs/dbraw/zinc/26/43/04/1388264304.db2.gz VOTJQJGFHGJXPJ-XUVXKRRUSA-N 2 1 349.563 3.362 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001188205742 1388264311 /nfs/dbraw/zinc/26/43/11/1388264311.db2.gz VOTJQJGFHGJXPJ-XUVXKRRUSA-N 2 1 349.563 3.362 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001188205742 1388264313 /nfs/dbraw/zinc/26/43/13/1388264313.db2.gz VOTJQJGFHGJXPJ-XUVXKRRUSA-N 2 1 349.563 3.362 20 0 EGADMP c1ccc(C[N@H+]2CCCO[C@@H](COCCC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001217888199 1373510139 /nfs/dbraw/zinc/51/01/39/1373510139.db2.gz OLAJRMHXYNJLHG-PZJWPPBQSA-N 2 1 346.515 3.074 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@@H]1OC[C@@]1(C)C[N@@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217939519 1373514904 /nfs/dbraw/zinc/51/49/04/1373514904.db2.gz PWVHSGAMGDHDTF-SLYNCCJLSA-N 2 1 346.515 3.071 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001218044391 1373546798 /nfs/dbraw/zinc/54/67/98/1373546798.db2.gz VEMYSSDEAMDZQJ-OXQOHEQNSA-N 2 1 337.467 3.017 20 0 EGADMP C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001218044391 1373546802 /nfs/dbraw/zinc/54/68/02/1373546802.db2.gz VEMYSSDEAMDZQJ-OXQOHEQNSA-N 2 1 337.467 3.017 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130618069 1373571046 /nfs/dbraw/zinc/57/10/46/1373571046.db2.gz RRFJBTZDMYXIBV-KRWDZBQOSA-N 2 1 345.531 3.415 20 0 EGADMP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)c1ccc(F)cc1 ZINC001130709287 1373583170 /nfs/dbraw/zinc/58/31/70/1373583170.db2.gz ZKVNUGKCQHERED-OALUTQOASA-N 2 1 349.494 3.103 20 0 EGADMP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@@H+](CCC3=CCCCC3)C[C@H]21 ZINC001221962450 1373809469 /nfs/dbraw/zinc/80/94/69/1373809469.db2.gz DPPQFRHESHFKEX-WOJBJXKFSA-N 2 1 347.547 3.142 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccc(F)cc1 ZINC001131821755 1373822774 /nfs/dbraw/zinc/82/27/74/1373822774.db2.gz FGRHEALQQSZXEV-MRXNPFEDSA-N 2 1 349.494 3.247 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001188362163 1388296370 /nfs/dbraw/zinc/29/63/70/1388296370.db2.gz ZVXYRTWZYAKRAV-RRFGBZISSA-N 2 1 343.515 3.055 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001188362163 1388296377 /nfs/dbraw/zinc/29/63/77/1388296377.db2.gz ZVXYRTWZYAKRAV-RRFGBZISSA-N 2 1 343.515 3.055 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225577957 1375126313 /nfs/dbraw/zinc/12/63/13/1375126313.db2.gz NNIPFTKHHLUPJB-YLJYHZDGSA-N 2 1 345.531 3.164 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132107491 1375151483 /nfs/dbraw/zinc/15/14/83/1375151483.db2.gz ZMBNXLOKCJBLBX-BTFXCVNISA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132150395 1375171319 /nfs/dbraw/zinc/17/13/19/1375171319.db2.gz QMVBXEALOFDVMP-QZTJIDSGSA-N 2 1 335.536 3.020 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132153896 1375174252 /nfs/dbraw/zinc/17/42/52/1375174252.db2.gz USTVXDZRCSQTEH-ZFTGLFDFSA-N 2 1 340.471 3.273 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC(C)C)CC[N@H+]1C ZINC001226341555 1375243155 /nfs/dbraw/zinc/24/31/55/1375243155.db2.gz MOYJNYQNIMJLOM-WJFTUGDTSA-N 2 1 337.552 3.170 20 0 EGADMP Cc1ccc(C)c(C[N@@H+]2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)c1 ZINC001132264883 1375254248 /nfs/dbraw/zinc/25/42/48/1375254248.db2.gz DEUZGHVRRLOEKW-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CC1CCCCCC1 ZINC001132265567 1375254545 /nfs/dbraw/zinc/25/45/45/1375254545.db2.gz OQEQYFJAVMHTDK-PKOBYXMFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1ccc(C[N@H+]2C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)cc1 ZINC001132274477 1375259598 /nfs/dbraw/zinc/25/95/98/1375259598.db2.gz UVPVJIYMZLFWCU-YLJYHZDGSA-N 2 1 345.531 3.231 20 0 EGADMP CC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132313641 1375291943 /nfs/dbraw/zinc/29/19/43/1375291943.db2.gz BKAHBEIVLWXCTQ-XXCOWLKOSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132313641 1375291948 /nfs/dbraw/zinc/29/19/48/1375291948.db2.gz BKAHBEIVLWXCTQ-XXCOWLKOSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132315779 1375293145 /nfs/dbraw/zinc/29/31/45/1375293145.db2.gz VRQVNHYHWINMDN-YZBXUTEPSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132315779 1375293152 /nfs/dbraw/zinc/29/31/52/1375293152.db2.gz VRQVNHYHWINMDN-YZBXUTEPSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132315779 1375293155 /nfs/dbraw/zinc/29/31/55/1375293155.db2.gz VRQVNHYHWINMDN-YZBXUTEPSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132315417 1375293557 /nfs/dbraw/zinc/29/35/57/1375293557.db2.gz SWDPJYFURFFWSK-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132315417 1375293563 /nfs/dbraw/zinc/29/35/63/1375293563.db2.gz SWDPJYFURFFWSK-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132315417 1375293568 /nfs/dbraw/zinc/29/35/68/1375293568.db2.gz SWDPJYFURFFWSK-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132340274 1375319014 /nfs/dbraw/zinc/31/90/14/1375319014.db2.gz PLEJRQRZOGMZFE-KQPGTDLCSA-N 2 1 349.563 3.434 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC(C)(C)C)C1 ZINC001132365310 1375329395 /nfs/dbraw/zinc/32/93/95/1375329395.db2.gz JBFOZAGELZPCFO-FUHWJXTLSA-N 2 1 348.535 3.377 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001132365310 1375329399 /nfs/dbraw/zinc/32/93/99/1375329399.db2.gz JBFOZAGELZPCFO-FUHWJXTLSA-N 2 1 348.535 3.377 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC2CCC2)C1 ZINC001132366142 1375331000 /nfs/dbraw/zinc/33/10/00/1375331000.db2.gz XDSPJQZVEHDFDL-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCC2)C1 ZINC001132366142 1375331009 /nfs/dbraw/zinc/33/10/09/1375331009.db2.gz XDSPJQZVEHDFDL-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CCC2)C1 ZINC001132366142 1375331014 /nfs/dbraw/zinc/33/10/14/1375331014.db2.gz XDSPJQZVEHDFDL-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCc1cccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]2C)c1 ZINC001132376145 1375338288 /nfs/dbraw/zinc/33/82/88/1375338288.db2.gz KDYVNDYVBCRNTQ-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132376193 1375339248 /nfs/dbraw/zinc/33/92/48/1375339248.db2.gz KXRLVUDOEZKYSX-XLIONFOSSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132376194 1375339684 /nfs/dbraw/zinc/33/96/84/1375339684.db2.gz KXRLVUDOEZKYSX-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001132380848 1375340641 /nfs/dbraw/zinc/34/06/41/1375340641.db2.gz QFKYXHOSOBZHFL-RLWBPELLSA-N 2 1 349.563 3.434 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001132411358 1375360538 /nfs/dbraw/zinc/36/05/38/1375360538.db2.gz YKIFHAYLUQYGMF-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132411358 1375360541 /nfs/dbraw/zinc/36/05/41/1375360541.db2.gz YKIFHAYLUQYGMF-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132411358 1375360546 /nfs/dbraw/zinc/36/05/46/1375360546.db2.gz YKIFHAYLUQYGMF-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1Cc1ccc(F)cc1 ZINC001132433238 1375378462 /nfs/dbraw/zinc/37/84/62/1375378462.db2.gz LHTXEPURBNGYKC-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132434516 1375378980 /nfs/dbraw/zinc/37/89/80/1375378980.db2.gz YADLMRFDKROBSB-FUHWJXTLSA-N 2 1 325.541 3.124 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CCCC1CCC1 ZINC001132434603 1375379827 /nfs/dbraw/zinc/37/98/27/1375379827.db2.gz ZFPFMBJBFCTJHI-HKUYNNGSSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2cc(C)ccc2C)C1 ZINC001132437157 1375382832 /nfs/dbraw/zinc/38/28/32/1375382832.db2.gz QWPAVOUAQDHMIR-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C)ccc2C)C1 ZINC001132437157 1375382838 /nfs/dbraw/zinc/38/28/38/1375382838.db2.gz QWPAVOUAQDHMIR-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001132437157 1375382839 /nfs/dbraw/zinc/38/28/39/1375382839.db2.gz QWPAVOUAQDHMIR-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](Cc2c(C)cccc2C)C1 ZINC001132440449 1375383969 /nfs/dbraw/zinc/38/39/69/1375383969.db2.gz AMWKHYLBOXMBFG-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2c(C)cccc2C)C1 ZINC001132440449 1375383972 /nfs/dbraw/zinc/38/39/72/1375383972.db2.gz AMWKHYLBOXMBFG-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2c(C)cccc2C)C1 ZINC001132440449 1375383979 /nfs/dbraw/zinc/38/39/79/1375383979.db2.gz AMWKHYLBOXMBFG-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132494543 1375424121 /nfs/dbraw/zinc/42/41/21/1375424121.db2.gz UGYUMYKSDCDFPE-OALUTQOASA-N 2 1 335.536 3.188 20 0 EGADMP Cc1cccc(C)c1C[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132521301 1375438355 /nfs/dbraw/zinc/43/83/55/1375438355.db2.gz BGMWXZRNYVWZIP-RTBURBONSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cccc(C)c1C[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132521301 1375438359 /nfs/dbraw/zinc/43/83/59/1375438359.db2.gz BGMWXZRNYVWZIP-RTBURBONSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cccc(C)c1C[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132521301 1375438363 /nfs/dbraw/zinc/43/83/63/1375438363.db2.gz BGMWXZRNYVWZIP-RTBURBONSA-N 2 1 345.531 3.113 20 0 EGADMP O=C(NCC[NH2+]CCC1CCCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132791356 1375567417 /nfs/dbraw/zinc/56/74/17/1375567417.db2.gz XVKYPIORXVDRKT-FQEVSTJZSA-N 2 1 349.563 3.460 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001132887037 1375625678 /nfs/dbraw/zinc/62/56/78/1375625678.db2.gz ZSZIJLXMSVNOKA-ZWOKBUDYSA-N 2 1 345.531 3.307 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001132887036 1375625766 /nfs/dbraw/zinc/62/57/66/1375625766.db2.gz ZSZIJLXMSVNOKA-QKLQHJQFSA-N 2 1 345.531 3.307 20 0 EGADMP CCCCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132936673 1375657183 /nfs/dbraw/zinc/65/71/83/1375657183.db2.gz CXKWLPBMAAUZCC-ROUUACIJSA-N 2 1 339.568 3.371 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132938055 1375658037 /nfs/dbraw/zinc/65/80/37/1375658037.db2.gz QJFRSDNMCIDZJD-IHVSBYRNSA-N 2 1 337.552 3.147 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)C1 ZINC001229126712 1375770525 /nfs/dbraw/zinc/77/05/25/1375770525.db2.gz KPHLVRBLQLERHA-JDGDGYACSA-N 2 1 346.519 3.035 20 0 EGADMP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001133166226 1375819620 /nfs/dbraw/zinc/81/96/20/1375819620.db2.gz RJAFECZMYQOPMC-PKOBYXMFSA-N 2 1 346.519 3.012 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCC)C1 ZINC001133185583 1375829650 /nfs/dbraw/zinc/82/96/50/1375829650.db2.gz FYETWNHDKRLPPO-MOPGFXCFSA-N 2 1 339.568 3.373 20 0 EGADMP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC)c1ccccc1 ZINC001229496332 1375846509 /nfs/dbraw/zinc/84/65/09/1375846509.db2.gz PRNYBXIQMLCUPF-XUVXKRRUSA-N 2 1 345.531 3.497 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001133224773 1375853028 /nfs/dbraw/zinc/85/30/28/1375853028.db2.gz DUKQDPMMOMNFAF-TYFAACHXSA-N 2 1 337.552 3.149 20 0 EGADMP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001133263249 1375879516 /nfs/dbraw/zinc/87/95/16/1375879516.db2.gz RLLOPEZDTQUICP-AWTIPJNISA-N 2 1 337.552 3.149 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc(C)c1 ZINC001229877754 1375910226 /nfs/dbraw/zinc/91/02/26/1375910226.db2.gz ZTEDQMXNMOQPES-MISYRCLQSA-N 2 1 345.531 3.415 20 0 EGADMP Fc1cccc(Cl)c1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001327148997 1388406238 /nfs/dbraw/zinc/40/62/38/1388406238.db2.gz CAACTEBYFGOOHZ-HNNXBMFYSA-N 2 1 340.870 3.255 20 0 EGADMP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001230287018 1375984924 /nfs/dbraw/zinc/98/49/24/1375984924.db2.gz VXUGIQPBZZSZHU-QRVBRYPASA-N 2 1 331.504 3.106 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628469 1376106070 /nfs/dbraw/zinc/10/60/70/1376106070.db2.gz ICHWQZDVZXRWEO-MJGOQNOKSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CCCn2ccnc2)CC1 ZINC001230627690 1376106419 /nfs/dbraw/zinc/10/64/19/1376106419.db2.gz DVHPXZMKJFXDSL-IBGZPJMESA-N 2 1 346.519 3.022 20 0 EGADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)c1ccc2ccccc2c1 ZINC001133834448 1376224189 /nfs/dbraw/zinc/22/41/89/1376224189.db2.gz YEOYDJKXZGHMAT-IAGOWNOFSA-N 2 1 339.483 3.091 20 0 EGADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(F)(F)C(F)F)cc3)C[C@@H]2C1 ZINC001231829291 1376324484 /nfs/dbraw/zinc/32/44/84/1376324484.db2.gz VIVGDTLXVWTYJG-OKILXGFUSA-N 2 1 346.368 3.307 20 0 EGADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(F)(F)C(F)F)cc3)C[C@@H]2C1 ZINC001231829291 1376324488 /nfs/dbraw/zinc/32/44/88/1376324488.db2.gz VIVGDTLXVWTYJG-OKILXGFUSA-N 2 1 346.368 3.307 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OC(F)(F)C(F)F)cc3)C[C@@H]2C1 ZINC001231829291 1376324493 /nfs/dbraw/zinc/32/44/93/1376324493.db2.gz VIVGDTLXVWTYJG-OKILXGFUSA-N 2 1 346.368 3.307 20 0 EGADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OC(F)(F)C(F)F)cc3)C[C@@H]2C1 ZINC001231829291 1376324500 /nfs/dbraw/zinc/32/45/00/1376324500.db2.gz VIVGDTLXVWTYJG-OKILXGFUSA-N 2 1 346.368 3.307 20 0 EGADMP C[NH+]1CCC(C2CC[NH+](Cc3cc(Cl)cnc3F)CC2)CC1 ZINC001231993244 1376374140 /nfs/dbraw/zinc/37/41/40/1376374140.db2.gz QNUOOZYUTXIHMO-UHFFFAOYSA-N 2 1 325.859 3.428 20 0 EGADMP CCOC(=O)C1(C(C)C)CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232017789 1376386043 /nfs/dbraw/zinc/38/60/43/1376386043.db2.gz XPKHFCVGKTXVMS-UHFFFAOYSA-N 2 1 329.444 3.364 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)c1 ZINC001232144351 1376408778 /nfs/dbraw/zinc/40/87/78/1376408778.db2.gz JCFIBDMCZMQRRY-HZPDHXFCSA-N 2 1 348.384 3.023 20 0 EGADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc(-n4cccn4)cc3Cl)C[C@H]2C1 ZINC001232596708 1376487040 /nfs/dbraw/zinc/48/70/40/1376487040.db2.gz RTAWWMJERWUIPT-CALCHBBNSA-N 2 1 344.890 3.299 20 0 EGADMP Cc1cccc([C@H](C)[NH+](C)CCCN(C)C(=O)C[N@H+](C)C2CCC2)c1 ZINC001327213215 1388445705 /nfs/dbraw/zinc/44/57/05/1388445705.db2.gz OAUJALCDSSNWBR-SFHVURJKSA-N 2 1 345.531 3.321 20 0 EGADMP Cc1cccc([C@H](C)[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C2CCC2)c1 ZINC001327213215 1388445708 /nfs/dbraw/zinc/44/57/08/1388445708.db2.gz OAUJALCDSSNWBR-SFHVURJKSA-N 2 1 345.531 3.321 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC001134574137 1376604597 /nfs/dbraw/zinc/60/45/97/1376604597.db2.gz LMPFMNCUVACFOL-KRWDZBQOSA-N 2 1 342.487 3.090 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH2+]CCCC(C)(C)C ZINC001134612014 1376624495 /nfs/dbraw/zinc/62/44/95/1376624495.db2.gz GKXXAHZVRGLURV-CVEARBPZSA-N 2 1 325.541 3.170 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c[nH]c(Br)c2)CC1 ZINC001233437436 1376644976 /nfs/dbraw/zinc/64/49/76/1376644976.db2.gz ZJRINJIIJPZLLE-UHFFFAOYSA-N 2 1 328.298 3.329 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001134774292 1376713799 /nfs/dbraw/zinc/71/37/99/1376713799.db2.gz XFOPCVXUXXKFFV-IAGOWNOFSA-N 2 1 333.520 3.098 20 0 EGADMP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134791374 1376724549 /nfs/dbraw/zinc/72/45/49/1376724549.db2.gz RALOFJBNLFMPOJ-DLBZAZTESA-N 2 1 337.552 3.479 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc2c1NC(C)(C)C=C2 ZINC001235035555 1376832452 /nfs/dbraw/zinc/83/24/52/1376832452.db2.gz FMBQOGKQHVYJCS-FQEVSTJZSA-N 2 1 327.472 3.098 20 0 EGADMP COc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc2c1NC(C)(C)C=C2 ZINC001235035555 1376832461 /nfs/dbraw/zinc/83/24/61/1376832461.db2.gz FMBQOGKQHVYJCS-FQEVSTJZSA-N 2 1 327.472 3.098 20 0 EGADMP CCOC(=O)c1ccc(CCC[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235038220 1376836321 /nfs/dbraw/zinc/83/63/21/1376836321.db2.gz DPSRSVNTDWTEGE-NRFANRHFSA-N 2 1 344.499 3.404 20 0 EGADMP c1csc(-c2ccc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)s2)c1 ZINC001235037944 1376836646 /nfs/dbraw/zinc/83/66/46/1376836646.db2.gz RCDCCEQYBKBCOW-UKRRQHHQSA-N 2 1 334.510 3.287 20 0 EGADMP COc1nc2ccccc2cc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235045724 1376840477 /nfs/dbraw/zinc/84/04/77/1376840477.db2.gz MZORXFPOIZYQIG-HXUWFJFHSA-N 2 1 325.456 3.352 20 0 EGADMP COc1nc2ccccc2cc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235045724 1376840479 /nfs/dbraw/zinc/84/04/79/1376840479.db2.gz MZORXFPOIZYQIG-HXUWFJFHSA-N 2 1 325.456 3.352 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CCCC[C@@]34CC[NH2+]C4)C2)cc1 ZINC001235120404 1376850504 /nfs/dbraw/zinc/85/05/04/1376850504.db2.gz AQVLJENAOBOOPA-SFTDATJTSA-N 2 1 327.516 3.117 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CCCC[C@]34CC[NH2+]C4)C2)cc1 ZINC001235120402 1376851482 /nfs/dbraw/zinc/85/14/82/1376851482.db2.gz AQVLJENAOBOOPA-NHCUHLMSSA-N 2 1 327.516 3.117 20 0 EGADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235125290 1376854923 /nfs/dbraw/zinc/85/49/23/1376854923.db2.gz OMEKHMQGCWPVMQ-RTWAWAEBSA-N 2 1 327.516 3.259 20 0 EGADMP COc1cc(C[N@@H+]2CCCCC23CC[NH2+]CC3)cc2c1OCC=C2 ZINC001235191525 1376856946 /nfs/dbraw/zinc/85/69/46/1376856946.db2.gz PXNUGLMYBBQZJA-UHFFFAOYSA-N 2 1 328.456 3.209 20 0 EGADMP COc1cc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc2c1OCC=C2 ZINC001235191525 1376856954 /nfs/dbraw/zinc/85/69/54/1376856954.db2.gz PXNUGLMYBBQZJA-UHFFFAOYSA-N 2 1 328.456 3.209 20 0 EGADMP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)s2)cc1 ZINC001235192492 1376858793 /nfs/dbraw/zinc/85/87/93/1376858793.db2.gz BURTUPCGHJVIQM-HZPDHXFCSA-N 2 1 328.481 3.465 20 0 EGADMP CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001235339247 1376867717 /nfs/dbraw/zinc/86/77/17/1376867717.db2.gz XSTSNTBDHNOVGR-MOPGFXCFSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+]1CC[C@H]1CN(C)C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001235339247 1376867728 /nfs/dbraw/zinc/86/77/28/1376867728.db2.gz XSTSNTBDHNOVGR-MOPGFXCFSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+]1CC[C@H]1CN(C)C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001235339247 1376867737 /nfs/dbraw/zinc/86/77/37/1376867737.db2.gz XSTSNTBDHNOVGR-MOPGFXCFSA-N 2 1 337.552 3.362 20 0 EGADMP Cc1cc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c(F)cc1Br ZINC001235338089 1376868820 /nfs/dbraw/zinc/86/88/20/1376868820.db2.gz AYJUSQCCEJNZNE-UHFFFAOYSA-N 2 1 341.268 3.328 20 0 EGADMP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)OCCCO2 ZINC001235429190 1376870172 /nfs/dbraw/zinc/87/01/72/1376870172.db2.gz QCIOZZRSQMMYDK-ROUUACIJSA-N 2 1 330.472 3.060 20 0 EGADMP COc1ccc2nccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235427639 1376871020 /nfs/dbraw/zinc/87/10/20/1376871020.db2.gz MTBXDXNYWQGGRS-IAGOWNOFSA-N 2 1 339.483 3.455 20 0 EGADMP Clc1cccn2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)nc12 ZINC001235431289 1376871817 /nfs/dbraw/zinc/87/18/17/1376871817.db2.gz ZHEHUHVFMHAGID-CABCVRRESA-N 2 1 332.879 3.199 20 0 EGADMP C[C@H](C[C@@H](C)[NH2+]C/C=C/Cl)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135078125 1376882660 /nfs/dbraw/zinc/88/26/60/1376882660.db2.gz ZFRLSKBQBCYJFH-KNFPLBEISA-N 2 1 343.943 3.266 20 0 EGADMP FC(F)(F)c1ccccc1OC1C[NH+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001235704829 1376884907 /nfs/dbraw/zinc/88/49/07/1376884907.db2.gz BUBYEKYSTHHZIQ-CYBMUJFWSA-N 2 1 328.378 3.158 20 0 EGADMP CC[N@H+](Cc1cc(F)c(F)c(Br)c1)C1CC[NH2+]CC1 ZINC001235764453 1376890248 /nfs/dbraw/zinc/89/02/48/1376890248.db2.gz DLDMLUNZTNQSTR-UHFFFAOYSA-N 2 1 333.220 3.301 20 0 EGADMP CC[N@@H+](Cc1cc(F)c(F)c(Br)c1)C1CC[NH2+]CC1 ZINC001235764453 1376890255 /nfs/dbraw/zinc/89/02/55/1376890255.db2.gz DLDMLUNZTNQSTR-UHFFFAOYSA-N 2 1 333.220 3.301 20 0 EGADMP COc1c(Cl)ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1F ZINC001235883433 1376909337 /nfs/dbraw/zinc/90/93/37/1376909337.db2.gz GCESYMYUAUXIPY-OAHLLOKOSA-N 2 1 326.843 3.452 20 0 EGADMP COCC[N@H+](Cc1cc(C(F)(F)F)ccc1C)C1CC[NH2+]CC1 ZINC001235943387 1376920747 /nfs/dbraw/zinc/92/07/47/1376920747.db2.gz IECJKQASPCOAMN-UHFFFAOYSA-N 2 1 330.394 3.214 20 0 EGADMP COCC[N@@H+](Cc1cc(C(F)(F)F)ccc1C)C1CC[NH2+]CC1 ZINC001235943387 1376920754 /nfs/dbraw/zinc/92/07/54/1376920754.db2.gz IECJKQASPCOAMN-UHFFFAOYSA-N 2 1 330.394 3.214 20 0 EGADMP Cc1cc(Cl)c(CN2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)c(Cl)c1 ZINC001236077800 1376931962 /nfs/dbraw/zinc/93/19/62/1376931962.db2.gz CQLQQBYTRUZXTP-AWEZNQCLSA-N 2 1 342.314 3.157 20 0 EGADMP c1ccc(C[N@@H+](C2CC2)[C@H]2CCCN(C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001236207921 1376941014 /nfs/dbraw/zinc/94/10/14/1376941014.db2.gz DDKGRMKIQPPOLZ-FPOVZHCZSA-N 2 1 327.516 3.115 20 0 EGADMP COc1c(C)c[nH+]c(CN(Cc2ccccc2)[C@H]2CCC[NH2+]C2)c1C ZINC001236270582 1376948337 /nfs/dbraw/zinc/94/83/37/1376948337.db2.gz OHMQJQVXDXPQGM-IBGZPJMESA-N 2 1 339.483 3.461 20 0 EGADMP Clc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCCC[C@@]13C[NH2+]CCO3)C2 ZINC001246160493 1377050252 /nfs/dbraw/zinc/05/02/52/1377050252.db2.gz NGKQAXKUCXCCKS-GBESFXJTSA-N 2 1 334.891 3.088 20 0 EGADMP [NH3+]C[C@@H]1CCCCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246546271 1377052434 /nfs/dbraw/zinc/05/24/34/1377052434.db2.gz ZVDFOAVXOQOWNJ-WOZUAGRISA-N 2 1 327.516 3.385 20 0 EGADMP CC[C@H]1C[C@H]([N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246722086 1377053692 /nfs/dbraw/zinc/05/36/92/1377053692.db2.gz GXVFWTHEHVXXQF-RMJJICAUSA-N 2 1 329.488 3.093 20 0 EGADMP CC(C)(C)[C@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246747804 1377054281 /nfs/dbraw/zinc/05/42/81/1377054281.db2.gz RXOKLLKPXRKSQY-QMCVQRASSA-N 2 1 347.528 3.094 20 0 EGADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C(C)(C)c1ccccc1C(F)(F)F ZINC001253409478 1377097382 /nfs/dbraw/zinc/09/73/82/1377097382.db2.gz UDJSRTVVGJQDGU-GFCCVEGCSA-N 2 1 332.410 3.279 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CCc1ccccc1CC ZINC001135436881 1377097283 /nfs/dbraw/zinc/09/72/83/1377097283.db2.gz DTHRQZUIKGBVMR-UHFFFAOYSA-N 2 1 347.547 3.009 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001135440787 1377098460 /nfs/dbraw/zinc/09/84/60/1377098460.db2.gz REGPNGZCRYIWNV-INIZCTEOSA-N 2 1 337.483 3.105 20 0 EGADMP COc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)CC2)c1OC ZINC001254508800 1377105546 /nfs/dbraw/zinc/10/55/46/1377105546.db2.gz MHJAQCXHDRMSDR-TZMCWYRMSA-N 2 1 326.868 3.492 20 0 EGADMP COc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1OC ZINC001254508800 1377105547 /nfs/dbraw/zinc/10/55/47/1377105547.db2.gz MHJAQCXHDRMSDR-TZMCWYRMSA-N 2 1 326.868 3.492 20 0 EGADMP C[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254509586 1377105768 /nfs/dbraw/zinc/10/57/68/1377105768.db2.gz PDFSKBTWZLXOTJ-CJNGLKHVSA-N 2 1 325.294 3.454 20 0 EGADMP COc1cccc(OCC2CC[NH+]([C@H]3CCC[N@@H+](C)CC3)CC2)c1 ZINC001254529863 1377106721 /nfs/dbraw/zinc/10/67/21/1377106721.db2.gz RYVZBYJVCVPMKK-SFHVURJKSA-N 2 1 332.488 3.270 20 0 EGADMP C[N@H+]1CCC[C@@H](N2CC[NH+]([C@H]3CCCc4ccccc43)CC2)CC1 ZINC001254530205 1377107239 /nfs/dbraw/zinc/10/72/39/1377107239.db2.gz VBROFOVGCVPRLJ-CTNGQTDRSA-N 2 1 327.516 3.166 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135476194 1377110843 /nfs/dbraw/zinc/11/08/43/1377110843.db2.gz JFMIYGWXCAPALF-IRXDYDNUSA-N 2 1 337.552 3.172 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135477250 1377111678 /nfs/dbraw/zinc/11/16/78/1377111678.db2.gz UANKSIGBSOOEJW-JKSUJKDBSA-N 2 1 327.557 3.273 20 0 EGADMP C[C@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135480354 1377112114 /nfs/dbraw/zinc/11/21/14/1377112114.db2.gz BDNDHJRVKVJSBX-DLBZAZTESA-N 2 1 339.568 3.418 20 0 EGADMP CC(C)[N@H+](C1CCN(C(=O)c2ccccc2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258639745 1377118435 /nfs/dbraw/zinc/11/84/35/1377118435.db2.gz SQWZIOQEOYHZLY-WGSAOQKQSA-N 2 1 343.515 3.272 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCCCC1 ZINC001135583650 1377155094 /nfs/dbraw/zinc/15/50/94/1377155094.db2.gz BYHWSNPDWGNEDR-IRXDYDNUSA-N 2 1 348.535 3.460 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC=C(C)C ZINC001135690324 1377184291 /nfs/dbraw/zinc/18/42/91/1377184291.db2.gz GMLHDZGYNHNZLP-QZTJIDSGSA-N 2 1 325.541 3.338 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001135858241 1377237180 /nfs/dbraw/zinc/23/71/80/1377237180.db2.gz VOXVLOMNWZUPML-HUUCEWRRSA-N 2 1 339.911 3.055 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC001135858451 1377237195 /nfs/dbraw/zinc/23/71/95/1377237195.db2.gz YHBUZYUIBMXPOC-CABCVRRESA-N 2 1 339.911 3.055 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)sc1C ZINC001135861487 1377238733 /nfs/dbraw/zinc/23/87/33/1377238733.db2.gz RSZMZUPPVHOFHW-KGLIPLIRSA-N 2 1 339.549 3.080 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001135975965 1377284445 /nfs/dbraw/zinc/28/44/45/1377284445.db2.gz FTSLZVCDDVODKR-OLZOCXBDSA-N 2 1 345.940 3.116 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001135997121 1377293203 /nfs/dbraw/zinc/29/32/03/1377293203.db2.gz YRYSUHFAWNDIDN-QZTJIDSGSA-N 2 1 337.552 3.482 20 0 EGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001136759396 1377420687 /nfs/dbraw/zinc/42/06/87/1377420687.db2.gz DMJYYGLUEPVTDD-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+]Cc2cccc(C)c2)CC1 ZINC001267207659 1377430382 /nfs/dbraw/zinc/43/03/82/1377430382.db2.gz GGOATTZYFMXRKW-GOSISDBHSA-N 2 1 345.531 3.054 20 0 EGADMP CC[N@@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)Cc1cc(C)ccc1C ZINC001267250391 1377431411 /nfs/dbraw/zinc/43/14/11/1377431411.db2.gz NCJIELPZSZWSTM-UHFFFAOYSA-N 2 1 347.547 3.219 20 0 EGADMP CC[NH+](CCNC(=O)C[N@H+](C)CC(C)(C)C)Cc1cc(C)ccc1C ZINC001267250391 1377431412 /nfs/dbraw/zinc/43/14/12/1377431412.db2.gz NCJIELPZSZWSTM-UHFFFAOYSA-N 2 1 347.547 3.219 20 0 EGADMP CC[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)Cc1cc(C)ccc1C ZINC001267250391 1377431413 /nfs/dbraw/zinc/43/14/13/1377431413.db2.gz NCJIELPZSZWSTM-UHFFFAOYSA-N 2 1 347.547 3.219 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC2(C[NH+](CCCC(C)(C)C)C2)CC1 ZINC001268045957 1377484603 /nfs/dbraw/zinc/48/46/03/1377484603.db2.gz OJSPODFCOQMHEL-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CC2(C1)CC[NH+](Cc1cccc(F)c1Br)CC2 ZINC001137722457 1377605690 /nfs/dbraw/zinc/60/56/90/1377605690.db2.gz PJYLBDCBAZUROH-UHFFFAOYSA-N 2 1 327.241 3.116 20 0 EGADMP Cc1noc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4C)cc3)CC2)n1 ZINC001138548230 1377739866 /nfs/dbraw/zinc/73/98/66/1377739866.db2.gz AUBMKMIUFIBMOQ-UHFFFAOYSA-N 2 1 337.427 3.252 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCN(c3cccnc3)CC2)cc1 ZINC001138550023 1377740344 /nfs/dbraw/zinc/74/03/44/1377740344.db2.gz HNGQPHZWWWMIAS-UHFFFAOYSA-N 2 1 347.466 3.288 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCN(c3cccnc3)CC2)cc1 ZINC001138550023 1377740345 /nfs/dbraw/zinc/74/03/45/1377740345.db2.gz HNGQPHZWWWMIAS-UHFFFAOYSA-N 2 1 347.466 3.288 20 0 EGADMP CNc1ncccc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001138695264 1377769982 /nfs/dbraw/zinc/76/99/82/1377769982.db2.gz ZXBQMMCLSCTGRR-AZUAARDMSA-N 2 1 336.483 3.077 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CCC(=O)c2ccccc2)cc1 ZINC001138772687 1377782367 /nfs/dbraw/zinc/78/23/67/1377782367.db2.gz WFLKEHANYUCELK-UHFFFAOYSA-N 2 1 340.467 3.332 20 0 EGADMP CCCCOc1cccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1 ZINC001138956549 1377808869 /nfs/dbraw/zinc/80/88/69/1377808869.db2.gz OQWNWAPLRYKDRU-UHFFFAOYSA-N 2 1 345.487 3.496 20 0 EGADMP COc1ccc(OC)c(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1N ZINC001139278211 1377861576 /nfs/dbraw/zinc/86/15/76/1377861576.db2.gz YVRWLYSIFDPICR-JKSUJKDBSA-N 2 1 347.503 3.125 20 0 EGADMP COc1ccc(OC)c(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1N ZINC001139278211 1377861577 /nfs/dbraw/zinc/86/15/77/1377861577.db2.gz YVRWLYSIFDPICR-JKSUJKDBSA-N 2 1 347.503 3.125 20 0 EGADMP COc1ccc(OC)c(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c1N ZINC001139278211 1377861578 /nfs/dbraw/zinc/86/15/78/1377861578.db2.gz YVRWLYSIFDPICR-JKSUJKDBSA-N 2 1 347.503 3.125 20 0 EGADMP COc1ccc(OC)c(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c1N ZINC001139278211 1377861579 /nfs/dbraw/zinc/86/15/79/1377861579.db2.gz YVRWLYSIFDPICR-JKSUJKDBSA-N 2 1 347.503 3.125 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)s2)CC1 ZINC001139323616 1377867929 /nfs/dbraw/zinc/86/79/29/1377867929.db2.gz OVUUHRVSBQTKBK-NVXWUHKLSA-N 2 1 334.533 3.050 20 0 EGADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]4CCCC[C@H]43)s2)CC1 ZINC001139323616 1377867932 /nfs/dbraw/zinc/86/79/32/1377867932.db2.gz OVUUHRVSBQTKBK-NVXWUHKLSA-N 2 1 334.533 3.050 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccccc1-n1cncn1 ZINC001139421891 1377881618 /nfs/dbraw/zinc/88/16/18/1377881618.db2.gz FQJNVJZXYBMBIK-OALUTQOASA-N 2 1 339.487 3.106 20 0 EGADMP CC[NH+](CC)CCN1CC[NH+](Cc2ccc(OC)c(C(C)C)c2)CC1 ZINC001139616682 1377919243 /nfs/dbraw/zinc/91/92/43/1377919243.db2.gz NYKSBHQZSIEXNZ-UHFFFAOYSA-N 2 1 347.547 3.278 20 0 EGADMP COc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1C(C)C ZINC001139618153 1377919387 /nfs/dbraw/zinc/91/93/87/1377919387.db2.gz MHVUOCZPOVLPFP-VQTJNVASSA-N 2 1 345.531 3.029 20 0 EGADMP Fc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c2ccccc12 ZINC001139891625 1377973125 /nfs/dbraw/zinc/97/31/25/1377973125.db2.gz BYCGNSGIQPRKIL-UHFFFAOYSA-N 2 1 341.474 3.192 20 0 EGADMP CC[N@@H+](Cc1cccc(Br)c1OC)C1CCN(C)CC1 ZINC001140153860 1378021349 /nfs/dbraw/zinc/02/13/49/1378021349.db2.gz FDTDGLFUODCVSN-UHFFFAOYSA-N 2 1 341.293 3.374 20 0 EGADMP CCN(Cc1cccc(Br)c1OC)C1CC[NH+](C)CC1 ZINC001140153860 1378021350 /nfs/dbraw/zinc/02/13/50/1378021350.db2.gz FDTDGLFUODCVSN-UHFFFAOYSA-N 2 1 341.293 3.374 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c(C)cc1O ZINC001140199654 1378030403 /nfs/dbraw/zinc/03/04/03/1378030403.db2.gz XJGVHLRLVOGADF-NRFANRHFSA-N 2 1 346.515 3.332 20 0 EGADMP Cc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c(C)cc1O ZINC001140199654 1378030404 /nfs/dbraw/zinc/03/04/04/1378030404.db2.gz XJGVHLRLVOGADF-NRFANRHFSA-N 2 1 346.515 3.332 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c(C)cc1O ZINC001140199654 1378030406 /nfs/dbraw/zinc/03/04/06/1378030406.db2.gz XJGVHLRLVOGADF-NRFANRHFSA-N 2 1 346.515 3.332 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c(C)cc1O ZINC001140199654 1378030408 /nfs/dbraw/zinc/03/04/08/1378030408.db2.gz XJGVHLRLVOGADF-NRFANRHFSA-N 2 1 346.515 3.332 20 0 EGADMP C[NH+](C)CC1(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2CCCC2)CCCC1 ZINC001273135503 1378090119 /nfs/dbraw/zinc/09/01/19/1378090119.db2.gz HLPRUWJNHFLSFX-RTBURBONSA-N 2 1 347.547 3.116 20 0 EGADMP OCc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001140684196 1378114012 /nfs/dbraw/zinc/11/40/12/1378114012.db2.gz GYTNPSNNDDPORA-RTBURBONSA-N 2 1 340.467 3.116 20 0 EGADMP OCc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001140684196 1378114016 /nfs/dbraw/zinc/11/40/16/1378114016.db2.gz GYTNPSNNDDPORA-RTBURBONSA-N 2 1 340.467 3.116 20 0 EGADMP OCc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001140684196 1378114019 /nfs/dbraw/zinc/11/40/19/1378114019.db2.gz GYTNPSNNDDPORA-RTBURBONSA-N 2 1 340.467 3.116 20 0 EGADMP CCOC(=O)Cc1ccc2c(c1)C[N@H+](Cc1cnc3cc[nH]cc1-3)CC2 ZINC001140801798 1378140777 /nfs/dbraw/zinc/14/07/77/1378140777.db2.gz GATPSCUSRRDITN-UHFFFAOYSA-N 2 1 349.434 3.227 20 0 EGADMP CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140801798 1378140779 /nfs/dbraw/zinc/14/07/79/1378140779.db2.gz GATPSCUSRRDITN-UHFFFAOYSA-N 2 1 349.434 3.227 20 0 EGADMP CCOC(=O)Cc1ccc2c(c1)C[N@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140801798 1378140781 /nfs/dbraw/zinc/14/07/81/1378140781.db2.gz GATPSCUSRRDITN-UHFFFAOYSA-N 2 1 349.434 3.227 20 0 EGADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)O1 ZINC001140803276 1378140905 /nfs/dbraw/zinc/14/09/05/1378140905.db2.gz OAIXFJSBDXGPRQ-NSISKUIASA-N 2 1 343.471 3.357 20 0 EGADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)O1 ZINC001140803276 1378140907 /nfs/dbraw/zinc/14/09/07/1378140907.db2.gz OAIXFJSBDXGPRQ-NSISKUIASA-N 2 1 343.471 3.357 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@@]12CC[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140802109 1378140935 /nfs/dbraw/zinc/14/09/35/1378140935.db2.gz NPFDANSHJDQZJI-LJQANCHMSA-N 2 1 342.443 3.148 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@@]12CC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140802109 1378140937 /nfs/dbraw/zinc/14/09/37/1378140937.db2.gz NPFDANSHJDQZJI-LJQANCHMSA-N 2 1 342.443 3.148 20 0 EGADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc2c(c1)OCCO2 ZINC001141039840 1378216975 /nfs/dbraw/zinc/21/69/75/1378216975.db2.gz FQFLIAKLTHSSQQ-ROUUACIJSA-N 2 1 330.472 3.297 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc2c(c1)OCCO2 ZINC001141039840 1378216977 /nfs/dbraw/zinc/21/69/77/1378216977.db2.gz FQFLIAKLTHSSQQ-ROUUACIJSA-N 2 1 330.472 3.297 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC001141039840 1378216979 /nfs/dbraw/zinc/21/69/79/1378216979.db2.gz FQFLIAKLTHSSQQ-ROUUACIJSA-N 2 1 330.472 3.297 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC001141039840 1378216981 /nfs/dbraw/zinc/21/69/81/1378216981.db2.gz FQFLIAKLTHSSQQ-ROUUACIJSA-N 2 1 330.472 3.297 20 0 EGADMP CCCC[C@@H](CC)C[N@@H+]1CCC2(C[NH+](CCCCCC(N)=O)C2)C1 ZINC001278218072 1378265133 /nfs/dbraw/zinc/26/51/33/1378265133.db2.gz RYOVQMDMGCGTFQ-GOSISDBHSA-N 2 1 337.552 3.256 20 0 EGADMP CCCC[C@@H](CC)C[N@H+]1CCC2(C[NH+](CCCCCC(N)=O)C2)C1 ZINC001278218072 1378265137 /nfs/dbraw/zinc/26/51/37/1378265137.db2.gz RYOVQMDMGCGTFQ-GOSISDBHSA-N 2 1 337.552 3.256 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)Cc1ccc(C)cc1 ZINC001281968375 1378465639 /nfs/dbraw/zinc/46/56/39/1378465639.db2.gz KEIXSVLVLSPFHI-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C)cc1 ZINC001281968375 1378465641 /nfs/dbraw/zinc/46/56/41/1378465641.db2.gz KEIXSVLVLSPFHI-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C)cc1 ZINC001281968375 1378465642 /nfs/dbraw/zinc/46/56/42/1378465642.db2.gz KEIXSVLVLSPFHI-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CCCC1CCC1)[NH+](C)C ZINC001282663236 1378532093 /nfs/dbraw/zinc/53/20/93/1378532093.db2.gz APNWYLAZDFOIHB-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@@H+](CC(=O)NC[C@@H]1CCCCC[NH+]1CCC1CCCC1)C1CCC1 ZINC001282667951 1378541632 /nfs/dbraw/zinc/54/16/32/1378541632.db2.gz SVGADCQFADALBU-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CCCC1)C1CCC1 ZINC001282667951 1378541636 /nfs/dbraw/zinc/54/16/36/1378541636.db2.gz SVGADCQFADALBU-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CC(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CCCC1)C1CCC1 ZINC001282667951 1378541637 /nfs/dbraw/zinc/54/16/37/1378541637.db2.gz SVGADCQFADALBU-FQEVSTJZSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCCC[NH+]1CCC1CCCC1 ZINC001282678695 1378552051 /nfs/dbraw/zinc/55/20/51/1378552051.db2.gz YTYIYOAHANUDAP-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CCCC1 ZINC001282678695 1378552054 /nfs/dbraw/zinc/55/20/54/1378552054.db2.gz YTYIYOAHANUDAP-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCCC[N@H+]1CCC1CCCC1 ZINC001282678695 1378552057 /nfs/dbraw/zinc/55/20/57/1378552057.db2.gz YTYIYOAHANUDAP-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP COc1ccc(F)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1Cl ZINC001143371450 1378587594 /nfs/dbraw/zinc/58/75/94/1378587594.db2.gz ULNYXHGJRLVZJI-UHFFFAOYSA-N 2 1 326.843 3.405 20 0 EGADMP Cc1cc(F)cc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c1 ZINC001143587419 1378621382 /nfs/dbraw/zinc/62/13/82/1378621382.db2.gz JTPZVIMPGHNZNG-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1cc(F)cc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c1 ZINC001143587419 1378621384 /nfs/dbraw/zinc/62/13/84/1378621384.db2.gz JTPZVIMPGHNZNG-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1cc(F)cc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1 ZINC001143587419 1378621386 /nfs/dbraw/zinc/62/13/86/1378621386.db2.gz JTPZVIMPGHNZNG-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1 ZINC001143587419 1378621387 /nfs/dbraw/zinc/62/13/87/1378621387.db2.gz JTPZVIMPGHNZNG-TZIWHRDSSA-N 2 1 346.490 3.314 20 0 EGADMP COc1ccc(C[N@@H+](C)C2CCN(C)CC2)cc1OC(F)(F)F ZINC001143868140 1378654852 /nfs/dbraw/zinc/65/48/52/1378654852.db2.gz PJAVIJVHYGZDPV-UHFFFAOYSA-N 2 1 332.366 3.120 20 0 EGADMP CCc1cc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc(CC)c1O ZINC001144142262 1378688090 /nfs/dbraw/zinc/68/80/90/1378688090.db2.gz NOZHFEWFYSMXGA-UHFFFAOYSA-N 2 1 345.487 3.147 20 0 EGADMP CCc1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c1 ZINC001144321179 1378716330 /nfs/dbraw/zinc/71/63/30/1378716330.db2.gz BVZHJDBFHSGKBI-VXKWHMMOSA-N 2 1 342.527 3.429 20 0 EGADMP CCc1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)c1 ZINC001144321179 1378716334 /nfs/dbraw/zinc/71/63/34/1378716334.db2.gz BVZHJDBFHSGKBI-VXKWHMMOSA-N 2 1 342.527 3.429 20 0 EGADMP CCc1cccc(C[NH+](C)C2CCN(C(=O)CC[N@H+](C)CC)CC2)c1 ZINC001283335128 1378818715 /nfs/dbraw/zinc/81/87/15/1378818715.db2.gz QSEGSRPGPOWPSI-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1cccc(C[N@@H+](C)C2CCN(C(=O)CC[NH+](C)CC)CC2)c1 ZINC001283335128 1378818721 /nfs/dbraw/zinc/81/87/21/1378818721.db2.gz QSEGSRPGPOWPSI-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP CCc1cccc(C[N@H+](C)C2CCN(C(=O)CC[NH+](C)CC)CC2)c1 ZINC001283335128 1378818731 /nfs/dbraw/zinc/81/87/31/1378818731.db2.gz QSEGSRPGPOWPSI-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001146333515 1378818647 /nfs/dbraw/zinc/81/86/47/1378818647.db2.gz ORHICDYHEASPBZ-DLBZAZTESA-N 2 1 348.535 3.425 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H](C)CC(C)C ZINC001147359545 1379009201 /nfs/dbraw/zinc/00/92/01/1379009201.db2.gz RJMYVSOFHKDPKL-MSOLQXFVSA-N 2 1 325.541 3.029 20 0 EGADMP CC(C)CCC[N@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147716270 1379064618 /nfs/dbraw/zinc/06/46/18/1379064618.db2.gz CEORTQKZLYVHFA-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CCC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147716270 1379064620 /nfs/dbraw/zinc/06/46/20/1379064620.db2.gz CEORTQKZLYVHFA-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CCC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147716270 1379064626 /nfs/dbraw/zinc/06/46/26/1379064626.db2.gz CEORTQKZLYVHFA-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC/C=C/CC[N@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147717569 1379065234 /nfs/dbraw/zinc/06/52/34/1379065234.db2.gz ZRXXHQLNMKRDHG-ZMBJWTFHSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C/CC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147717569 1379065238 /nfs/dbraw/zinc/06/52/38/1379065238.db2.gz ZRXXHQLNMKRDHG-ZMBJWTFHSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C/CC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147717569 1379065242 /nfs/dbraw/zinc/06/52/42/1379065242.db2.gz ZRXXHQLNMKRDHG-ZMBJWTFHSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148385781 1379161195 /nfs/dbraw/zinc/16/11/95/1379161195.db2.gz QWKOLYLYOLCNAK-ZMBJWTFHSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001148385781 1379161199 /nfs/dbraw/zinc/16/11/99/1379161199.db2.gz QWKOLYLYOLCNAK-ZMBJWTFHSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001148385781 1379161201 /nfs/dbraw/zinc/16/12/01/1379161201.db2.gz QWKOLYLYOLCNAK-ZMBJWTFHSA-N 2 1 347.547 3.140 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001148418041 1379168582 /nfs/dbraw/zinc/16/85/82/1379168582.db2.gz ABZNCWNHRWILFY-RBUKOAKNSA-N 2 1 347.547 3.118 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC001148418041 1379168583 /nfs/dbraw/zinc/16/85/83/1379168583.db2.gz ABZNCWNHRWILFY-RBUKOAKNSA-N 2 1 347.547 3.118 20 0 EGADMP CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001148418041 1379168585 /nfs/dbraw/zinc/16/85/85/1379168585.db2.gz ABZNCWNHRWILFY-RBUKOAKNSA-N 2 1 347.547 3.118 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC[C@@H]1CCC[C@H](C)C1)C2 ZINC001148551728 1379209744 /nfs/dbraw/zinc/20/97/44/1379209744.db2.gz STHWUJTWDCOQGF-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CC[C@@H]1CCC[C@H](C)C1)C2 ZINC001148551728 1379209749 /nfs/dbraw/zinc/20/97/49/1379209749.db2.gz STHWUJTWDCOQGF-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CC[C@@H]1CCC[C@H](C)C1)C2 ZINC001148551728 1379209752 /nfs/dbraw/zinc/20/97/52/1379209752.db2.gz STHWUJTWDCOQGF-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001148571167 1379214078 /nfs/dbraw/zinc/21/40/78/1379214078.db2.gz YPRCRQACDUABMS-UHFFFAOYSA-N 2 1 347.547 3.166 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC2(C1)CC[N@@H+](CC1CCCCCC1)C2 ZINC001148640865 1379232506 /nfs/dbraw/zinc/23/25/06/1379232506.db2.gz QIAQZITZBQJKHS-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCCCC[N@H+]1CCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001148827439 1379277423 /nfs/dbraw/zinc/27/74/23/1379277423.db2.gz COKVZFDKONXYEU-UHFFFAOYSA-N 2 1 343.515 3.086 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313476 1380053869 /nfs/dbraw/zinc/05/38/69/1380053869.db2.gz SGUDGAHNIITBJS-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CCC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153313476 1380053873 /nfs/dbraw/zinc/05/38/73/1380053873.db2.gz SGUDGAHNIITBJS-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CCC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153313476 1380053876 /nfs/dbraw/zinc/05/38/76/1380053876.db2.gz SGUDGAHNIITBJS-IEBWSBKVSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CC(CC)CC ZINC001153721036 1380118560 /nfs/dbraw/zinc/11/85/60/1380118560.db2.gz ROZARTOBPXDCFV-SJLPKXTDSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC(CC)CC ZINC001153721036 1380118564 /nfs/dbraw/zinc/11/85/64/1380118564.db2.gz ROZARTOBPXDCFV-SJLPKXTDSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC(CC)CC ZINC001153721036 1380118568 /nfs/dbraw/zinc/11/85/68/1380118568.db2.gz ROZARTOBPXDCFV-SJLPKXTDSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153819272 1380137057 /nfs/dbraw/zinc/13/70/57/1380137057.db2.gz VBCNUDYRJYOZSZ-NVXWUHKLSA-N 2 1 346.519 3.023 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153819272 1380137058 /nfs/dbraw/zinc/13/70/58/1380137058.db2.gz VBCNUDYRJYOZSZ-NVXWUHKLSA-N 2 1 346.519 3.023 20 0 EGADMP CCCN(CC[NH+](CC)CC)C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001153873127 1380147689 /nfs/dbraw/zinc/14/76/89/1380147689.db2.gz MZNUNTJPOGBVLC-SFHVURJKSA-N 2 1 345.531 3.014 20 0 EGADMP CCCN(CC[NH+](CC)CC)C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001153873127 1380147690 /nfs/dbraw/zinc/14/76/90/1380147690.db2.gz MZNUNTJPOGBVLC-SFHVURJKSA-N 2 1 345.531 3.014 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153879954 1380148787 /nfs/dbraw/zinc/14/87/87/1380148787.db2.gz QFLYEFGUMWRIKI-QZTJIDSGSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153879954 1380148788 /nfs/dbraw/zinc/14/87/88/1380148788.db2.gz QFLYEFGUMWRIKI-QZTJIDSGSA-N 2 1 325.541 3.268 20 0 EGADMP CCCCCC[NH+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153879954 1380148790 /nfs/dbraw/zinc/14/87/90/1380148790.db2.gz QFLYEFGUMWRIKI-QZTJIDSGSA-N 2 1 325.541 3.268 20 0 EGADMP CC[N@@H+](Cc1ccccc1C)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153880011 1380148945 /nfs/dbraw/zinc/14/89/45/1380148945.db2.gz SZPFGTOFYCFIDY-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](Cc1ccccc1C)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153880011 1380148947 /nfs/dbraw/zinc/14/89/47/1380148947.db2.gz SZPFGTOFYCFIDY-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](Cc1ccccc1C)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153880011 1380148949 /nfs/dbraw/zinc/14/89/49/1380148949.db2.gz SZPFGTOFYCFIDY-QUCCMNQESA-N 2 1 345.531 3.196 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154123420 1380213054 /nfs/dbraw/zinc/21/30/54/1380213054.db2.gz ZCAYXTWJYAACFY-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001154123420 1380213057 /nfs/dbraw/zinc/21/30/57/1380213057.db2.gz ZCAYXTWJYAACFY-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001154123420 1380213060 /nfs/dbraw/zinc/21/30/60/1380213060.db2.gz ZCAYXTWJYAACFY-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154348184 1380261402 /nfs/dbraw/zinc/26/14/02/1380261402.db2.gz UDANARFFNSWALZ-DLBZAZTESA-N 2 1 344.503 3.457 20 0 EGADMP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455181 1380280885 /nfs/dbraw/zinc/28/08/85/1380280885.db2.gz JAKLEJUTQITCDU-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154480942 1380285653 /nfs/dbraw/zinc/28/56/53/1380285653.db2.gz HRQLQHVNYBIBAC-GOSISDBHSA-N 2 1 337.552 3.291 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001154844327 1380362819 /nfs/dbraw/zinc/36/28/19/1380362819.db2.gz BGMWZYMXCLDNGG-MJGOQNOKSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001154844327 1380362821 /nfs/dbraw/zinc/36/28/21/1380362821.db2.gz BGMWZYMXCLDNGG-MJGOQNOKSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001154844327 1380362823 /nfs/dbraw/zinc/36/28/23/1380362823.db2.gz BGMWZYMXCLDNGG-MJGOQNOKSA-N 2 1 337.552 3.410 20 0 EGADMP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876429 1380370845 /nfs/dbraw/zinc/37/08/45/1380370845.db2.gz PPNHSFNUKOQFEM-SJLPKXTDSA-N 2 1 348.535 3.017 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876429 1380370849 /nfs/dbraw/zinc/37/08/49/1380370849.db2.gz PPNHSFNUKOQFEM-SJLPKXTDSA-N 2 1 348.535 3.017 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H](Nc2[nH+]cnc3c2ccn3Cc2cccc(F)c2)C1 ZINC001154986610 1380385128 /nfs/dbraw/zinc/38/51/28/1380385128.db2.gz UBJFCXWFRSDXPO-HZPDHXFCSA-N 2 1 339.418 3.301 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155085805 1380405963 /nfs/dbraw/zinc/40/59/63/1380405963.db2.gz TWNPXCNSKPBQDI-UYAOXDASSA-N 2 1 347.547 3.216 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCc1ccccc1)[NH+](CC)CC ZINC001155174984 1380419501 /nfs/dbraw/zinc/41/95/01/1380419501.db2.gz OAJLGRGBLBPVDM-QUCCMNQESA-N 2 1 347.547 3.176 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001155180871 1380420289 /nfs/dbraw/zinc/42/02/89/1380420289.db2.gz VABSHHKYUYOQIP-SJLPKXTDSA-N 2 1 327.557 3.370 20 0 EGADMP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155225833 1380426442 /nfs/dbraw/zinc/42/64/42/1380426442.db2.gz AFDBYUUYTCLROO-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155225833 1380426443 /nfs/dbraw/zinc/42/64/43/1380426443.db2.gz AFDBYUUYTCLROO-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CCC1CCCCC1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155225833 1380426444 /nfs/dbraw/zinc/42/64/44/1380426444.db2.gz AFDBYUUYTCLROO-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001155619993 1380474991 /nfs/dbraw/zinc/47/49/91/1380474991.db2.gz FKNUQOWEOSWLOZ-MSOLQXFVSA-N 2 1 343.531 3.216 20 0 EGADMP CC[NH+](CCCCCF)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001155619993 1380474992 /nfs/dbraw/zinc/47/49/92/1380474992.db2.gz FKNUQOWEOSWLOZ-MSOLQXFVSA-N 2 1 343.531 3.216 20 0 EGADMP CC[NH+](CCCCCF)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001155619993 1380474995 /nfs/dbraw/zinc/47/49/95/1380474995.db2.gz FKNUQOWEOSWLOZ-MSOLQXFVSA-N 2 1 343.531 3.216 20 0 EGADMP Cc1ccc2c(C)cc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)[nH+]c2c1C ZINC001155625885 1380475368 /nfs/dbraw/zinc/47/53/68/1380475368.db2.gz NYSBFMVZYFIYEL-UZLBHIALSA-N 2 1 325.456 3.483 20 0 EGADMP COc1cc2cc[nH+]c(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)c2cc1F ZINC001155833568 1380496598 /nfs/dbraw/zinc/49/65/98/1380496598.db2.gz KIDKUEPDYMIRJW-PKOBYXMFSA-N 2 1 345.418 3.096 20 0 EGADMP CC[N@@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155994189 1380511629 /nfs/dbraw/zinc/51/16/29/1380511629.db2.gz JTZJJQIWPGXEPU-RTBURBONSA-N 2 1 339.568 3.227 20 0 EGADMP CC[NH+](Cc1cccc(Cl)c1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156199601 1380540919 /nfs/dbraw/zinc/54/09/19/1380540919.db2.gz BUIAHXQUWKTDRI-OAHLLOKOSA-N 2 1 339.911 3.008 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(Cl)c1 ZINC001156199601 1380540922 /nfs/dbraw/zinc/54/09/22/1380540922.db2.gz BUIAHXQUWKTDRI-OAHLLOKOSA-N 2 1 339.911 3.008 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(Cl)c1 ZINC001156199601 1380540924 /nfs/dbraw/zinc/54/09/24/1380540924.db2.gz BUIAHXQUWKTDRI-OAHLLOKOSA-N 2 1 339.911 3.008 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CC=C(C)C ZINC001156305591 1380555358 /nfs/dbraw/zinc/55/53/58/1380555358.db2.gz FCKZYBHLRBOFAC-RTBURBONSA-N 2 1 337.552 3.434 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC=C(C)C ZINC001156305591 1380555363 /nfs/dbraw/zinc/55/53/63/1380555363.db2.gz FCKZYBHLRBOFAC-RTBURBONSA-N 2 1 337.552 3.434 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C ZINC001156305591 1380555367 /nfs/dbraw/zinc/55/53/67/1380555367.db2.gz FCKZYBHLRBOFAC-RTBURBONSA-N 2 1 337.552 3.434 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4nc(NC5CC5)cc[nH+]4)[C@H]3C2)cc1 ZINC001156316223 1380556469 /nfs/dbraw/zinc/55/64/69/1380556469.db2.gz VGSZKMMAELEVRE-YTQUADARSA-N 2 1 349.482 3.373 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4nc(NC5CC5)cc[nH+]4)[C@H]3C2)cc1 ZINC001156316223 1380556473 /nfs/dbraw/zinc/55/64/73/1380556473.db2.gz VGSZKMMAELEVRE-YTQUADARSA-N 2 1 349.482 3.373 20 0 EGADMP CN(C)c1cccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC001156315202 1380556963 /nfs/dbraw/zinc/55/69/63/1380556963.db2.gz LENLVMBBEAEFAC-IPMKNSEASA-N 2 1 336.483 3.470 20 0 EGADMP c1ccc(C[NH+]2CC(CNc3cc[nH+]c(N4CCCCC4)n3)C2)cc1 ZINC001156403471 1380571957 /nfs/dbraw/zinc/57/19/57/1380571957.db2.gz XKTHQXTZPDBQGM-UHFFFAOYSA-N 2 1 337.471 3.011 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1ccc(C(C)C)cc1 ZINC001156525267 1380587988 /nfs/dbraw/zinc/58/79/88/1380587988.db2.gz MLUCWSLJJJHQBX-GOSISDBHSA-N 2 1 347.547 3.478 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C(C)C)cc1 ZINC001156525267 1380587989 /nfs/dbraw/zinc/58/79/89/1380587989.db2.gz MLUCWSLJJJHQBX-GOSISDBHSA-N 2 1 347.547 3.478 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C(C)C)cc1 ZINC001156525267 1380587990 /nfs/dbraw/zinc/58/79/90/1380587990.db2.gz MLUCWSLJJJHQBX-GOSISDBHSA-N 2 1 347.547 3.478 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098651 1380774964 /nfs/dbraw/zinc/77/49/64/1380774964.db2.gz QXLCJCMMIVGMJS-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157118966 1380779549 /nfs/dbraw/zinc/77/95/49/1380779549.db2.gz QGMLSMPCLVZKNK-JCMVTEASSA-N 2 1 337.552 3.290 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001157118340 1380779757 /nfs/dbraw/zinc/77/97/57/1380779757.db2.gz CREZPRXYKVMWQC-MSOLQXFVSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287360 1380834518 /nfs/dbraw/zinc/83/45/18/1380834518.db2.gz ROJSWMDWDQMUNL-LJQANCHMSA-N 2 1 347.547 3.381 20 0 EGADMP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287360 1380834524 /nfs/dbraw/zinc/83/45/24/1380834524.db2.gz ROJSWMDWDQMUNL-LJQANCHMSA-N 2 1 347.547 3.381 20 0 EGADMP CC[NH+](CCCC(C)C)[C@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001157287360 1380834528 /nfs/dbraw/zinc/83/45/28/1380834528.db2.gz ROJSWMDWDQMUNL-LJQANCHMSA-N 2 1 347.547 3.381 20 0 EGADMP CC[NH+](CCCC(C)C)[C@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001157287360 1380834534 /nfs/dbraw/zinc/83/45/34/1380834534.db2.gz ROJSWMDWDQMUNL-LJQANCHMSA-N 2 1 347.547 3.381 20 0 EGADMP CC(C)(C)CC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158100057 1381127362 /nfs/dbraw/zinc/12/73/62/1381127362.db2.gz VYDYFRDNTOCCTL-QGZVFWFLSA-N 2 1 337.552 3.173 20 0 EGADMP CCCCCC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158100240 1381127528 /nfs/dbraw/zinc/12/75/28/1381127528.db2.gz YTSASAHYLAPBDF-GOSISDBHSA-N 2 1 337.552 3.317 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC001158155166 1381143443 /nfs/dbraw/zinc/14/34/43/1381143443.db2.gz LAVDXHPKBKVQRW-LJQANCHMSA-N 2 1 346.519 3.021 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](C2CCN(c3nccc4cc(F)c(Cl)cc43)CC2)C1 ZINC001158270486 1381179980 /nfs/dbraw/zinc/17/99/80/1381179980.db2.gz TXYUCGATASYZFA-ZDUSSCGKSA-N 2 1 348.853 3.029 20 0 EGADMP [NH3+][C@H]1CC[N@H+](C2CCN(c3nccc4cc(F)c(Cl)cc43)CC2)C1 ZINC001158270486 1381179988 /nfs/dbraw/zinc/17/99/88/1381179988.db2.gz TXYUCGATASYZFA-ZDUSSCGKSA-N 2 1 348.853 3.029 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001158289350 1381186765 /nfs/dbraw/zinc/18/67/65/1381186765.db2.gz DVFAFEGWTFAZIR-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158445704 1381248623 /nfs/dbraw/zinc/24/86/23/1381248623.db2.gz NZKSYDDRSWCHGE-RBUKOAKNSA-N 2 1 339.568 3.323 20 0 EGADMP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CCCCC1 ZINC001158449873 1381249891 /nfs/dbraw/zinc/24/98/91/1381249891.db2.gz IJQVIBADNOVCTI-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP C[C@@H](F)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480226 1381261643 /nfs/dbraw/zinc/26/16/43/1381261643.db2.gz JFHSXQSSFQIMHE-IAGOWNOFSA-N 2 1 343.531 3.025 20 0 EGADMP C[C@@H](F)CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001158480226 1381261649 /nfs/dbraw/zinc/26/16/49/1381261649.db2.gz JFHSXQSSFQIMHE-IAGOWNOFSA-N 2 1 343.531 3.025 20 0 EGADMP C[C@@H](F)CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001158480226 1381261652 /nfs/dbraw/zinc/26/16/52/1381261652.db2.gz JFHSXQSSFQIMHE-IAGOWNOFSA-N 2 1 343.531 3.025 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cccc(N2CCOCC2)[nH+]1 ZINC001158739408 1381376749 /nfs/dbraw/zinc/37/67/49/1381376749.db2.gz XMROMVGZJIAGKF-QGZVFWFLSA-N 2 1 338.455 3.158 20 0 EGADMP CC1CC(C[N@@H+](C)C[C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001158768307 1381390491 /nfs/dbraw/zinc/39/04/91/1381390491.db2.gz RXUPPGROXUETMM-CTWPCTMYSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC001158786610 1381398734 /nfs/dbraw/zinc/39/87/34/1381398734.db2.gz ABJPQKQPFKOVTJ-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC001158786610 1381398740 /nfs/dbraw/zinc/39/87/40/1381398740.db2.gz ABJPQKQPFKOVTJ-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC001158786610 1381398745 /nfs/dbraw/zinc/39/87/45/1381398745.db2.gz ABJPQKQPFKOVTJ-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001158801100 1381405337 /nfs/dbraw/zinc/40/53/37/1381405337.db2.gz RLHNPMKNBOXWFV-CNTHDYSMSA-N 2 1 347.547 3.142 20 0 EGADMP CC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001158801100 1381405338 /nfs/dbraw/zinc/40/53/38/1381405338.db2.gz RLHNPMKNBOXWFV-CNTHDYSMSA-N 2 1 347.547 3.142 20 0 EGADMP CC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001158801100 1381405342 /nfs/dbraw/zinc/40/53/42/1381405342.db2.gz RLHNPMKNBOXWFV-CNTHDYSMSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[NH2+]C3)CC2)nc1 ZINC001159050136 1381541676 /nfs/dbraw/zinc/54/16/76/1381541676.db2.gz SQYTWXKUZANTJG-GOSISDBHSA-N 2 1 328.504 3.208 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccc(N2CC[NH2+]CC2)c(Cl)c1 ZINC001159859301 1381922447 /nfs/dbraw/zinc/92/24/47/1381922447.db2.gz UCDOFJYKQJPIHT-UHFFFAOYSA-N 2 1 345.878 3.263 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001159911478 1381935069 /nfs/dbraw/zinc/93/50/69/1381935069.db2.gz YXDYOBPUMXASJC-RTBURBONSA-N 2 1 345.531 3.415 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001159981606 1381957924 /nfs/dbraw/zinc/95/79/24/1381957924.db2.gz LNQWRZWZFAYUSK-HNNXBMFYSA-N 2 1 325.460 3.127 20 0 EGADMP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160473485 1382116822 /nfs/dbraw/zinc/11/68/22/1382116822.db2.gz JPQKXUJXIKZKFK-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160473485 1382116823 /nfs/dbraw/zinc/11/68/23/1382116823.db2.gz JPQKXUJXIKZKFK-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160473485 1382116828 /nfs/dbraw/zinc/11/68/28/1382116828.db2.gz JPQKXUJXIKZKFK-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160500713 1382125322 /nfs/dbraw/zinc/12/53/22/1382125322.db2.gz QZLGAYHEOTUAGB-QUCCMNQESA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001160500713 1382125325 /nfs/dbraw/zinc/12/53/25/1382125325.db2.gz QZLGAYHEOTUAGB-QUCCMNQESA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001160500713 1382125326 /nfs/dbraw/zinc/12/53/26/1382125326.db2.gz QZLGAYHEOTUAGB-QUCCMNQESA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001160617246 1382153749 /nfs/dbraw/zinc/15/37/49/1382153749.db2.gz JVQNQUJPNUODBY-UHFFFAOYSA-N 2 1 338.455 3.053 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001160618002 1382153897 /nfs/dbraw/zinc/15/38/97/1382153897.db2.gz YJFSNMJRLIOCIA-MRXNPFEDSA-N 2 1 340.471 3.132 20 0 EGADMP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160870580 1382220279 /nfs/dbraw/zinc/22/02/79/1382220279.db2.gz ZLVMAECNMTYQMG-RTBURBONSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001161021776 1382275736 /nfs/dbraw/zinc/27/57/36/1382275736.db2.gz UNRDSYBERUAZMT-UHFFFAOYSA-N 2 1 345.487 3.059 20 0 EGADMP C[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CCCC(C)(C)C)CC2)CC1 ZINC001161101868 1382297969 /nfs/dbraw/zinc/29/79/69/1382297969.db2.gz NQGMCEDSOBVHBF-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001161219935 1382346216 /nfs/dbraw/zinc/34/62/16/1382346216.db2.gz REJMNMAZMSZICO-GOSISDBHSA-N 2 1 347.547 3.189 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161220163 1382346967 /nfs/dbraw/zinc/34/69/67/1382346967.db2.gz WRVWKEJCLLOUOI-UHFFFAOYSA-N 2 1 349.563 3.293 20 0 EGADMP Cc1[nH]c2nc[nH+]c(NCC3CC[NH+](CC4CCC4)CC3)c2c1C ZINC001161233577 1382351439 /nfs/dbraw/zinc/35/14/39/1382351439.db2.gz VQDDAPSZYCTCLD-UHFFFAOYSA-N 2 1 327.476 3.499 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)N(CC)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001161330355 1382373067 /nfs/dbraw/zinc/37/30/67/1382373067.db2.gz MMHHTVMBIKOTIR-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383272 1382391524 /nfs/dbraw/zinc/39/15/24/1382391524.db2.gz OSSDGVSCCKXRFF-OALUTQOASA-N 2 1 349.563 3.435 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161391697 1382397320 /nfs/dbraw/zinc/39/73/20/1382397320.db2.gz VVGJNOQDYURHQD-SNAWJCMRSA-N 2 1 347.547 3.213 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC001161412966 1382402660 /nfs/dbraw/zinc/40/26/60/1382402660.db2.gz NCDFHZRPEBYOAQ-HAGHYFMRSA-N 2 1 343.515 3.045 20 0 EGADMP CC[N@@H+](CC1CCC1)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001328588300 1388783741 /nfs/dbraw/zinc/78/37/41/1388783741.db2.gz CGPDZNUXILOAFS-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCCCCC[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001161524743 1382430602 /nfs/dbraw/zinc/43/06/02/1382430602.db2.gz MHDWSCFVFSNVSD-UHFFFAOYSA-N 2 1 325.541 3.316 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001161638456 1382466898 /nfs/dbraw/zinc/46/68/98/1382466898.db2.gz PMYCXAFTQRDWAA-ACBHZAAOSA-N 2 1 337.552 3.029 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001161644945 1382468793 /nfs/dbraw/zinc/46/87/93/1382468793.db2.gz VRZWGFVQVHVPGZ-QUCCMNQESA-N 2 1 345.531 3.272 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001161645979 1382469223 /nfs/dbraw/zinc/46/92/23/1382469223.db2.gz XJPVMKSUKIJWER-GOSISDBHSA-N 2 1 337.552 3.149 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@H+](C[C@H](C)CC(C)C)CC1 ZINC001161645979 1382469225 /nfs/dbraw/zinc/46/92/25/1382469225.db2.gz XJPVMKSUKIJWER-GOSISDBHSA-N 2 1 337.552 3.149 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](C[C@H](C)CC(C)C)CC1 ZINC001161645979 1382469227 /nfs/dbraw/zinc/46/92/27/1382469227.db2.gz XJPVMKSUKIJWER-GOSISDBHSA-N 2 1 337.552 3.149 20 0 EGADMP C[NH+](C)CCCCC(=O)NCCC1=CC[N@@H+](CC2=CCCCC2)CC1 ZINC001161734121 1382492292 /nfs/dbraw/zinc/49/22/92/1382492292.db2.gz SHMSVTXTDSOWMC-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](Cc2ccsc2)CC1 ZINC001161749630 1382494364 /nfs/dbraw/zinc/49/43/64/1382494364.db2.gz AAKLTFYDUGDSHC-UHFFFAOYSA-N 2 1 349.544 3.118 20 0 EGADMP CCC[NH+](C)CCC(=O)NCCC1=CC[N@H+](Cc2ccsc2)CC1 ZINC001161749630 1382494365 /nfs/dbraw/zinc/49/43/65/1382494365.db2.gz AAKLTFYDUGDSHC-UHFFFAOYSA-N 2 1 349.544 3.118 20 0 EGADMP CCC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](Cc2ccsc2)CC1 ZINC001161749630 1382494367 /nfs/dbraw/zinc/49/43/67/1382494367.db2.gz AAKLTFYDUGDSHC-UHFFFAOYSA-N 2 1 349.544 3.118 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](CCC(C)(C)C)CC1 ZINC001161750034 1382495069 /nfs/dbraw/zinc/49/50/69/1382495069.db2.gz UJTXAGGKNNEIHQ-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CCC[NH+](C)CCC(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001161750034 1382495074 /nfs/dbraw/zinc/49/50/74/1382495074.db2.gz UJTXAGGKNNEIHQ-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CCC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001161750034 1382495076 /nfs/dbraw/zinc/49/50/76/1382495076.db2.gz UJTXAGGKNNEIHQ-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP C[N@H+]1CCCC[C@H]1c1ccc(NCc2ccc3c(c2)CC[NH2+]C3)nc1 ZINC001162807795 1382879976 /nfs/dbraw/zinc/87/99/76/1382879976.db2.gz SIRTUBIRDGFHCF-FQEVSTJZSA-N 2 1 336.483 3.496 20 0 EGADMP Cc1cc(N2CCOCC2)[nH+]cc1-n1ccc2cc([C@@H](C)[NH3+])ccc21 ZINC001162908255 1382912432 /nfs/dbraw/zinc/91/24/32/1382912432.db2.gz CNTZAEKJMMCHFN-OAHLLOKOSA-N 2 1 336.439 3.190 20 0 EGADMP Cc1[nH+]c2ccc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)cc2n1C(C)C ZINC001163283104 1383012903 /nfs/dbraw/zinc/01/29/03/1383012903.db2.gz DRJXFVGZCDWMTN-OXQOHEQNSA-N 2 1 342.487 3.496 20 0 EGADMP Cc1cccc2c1cc[nH+]c2N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001163456899 1383055401 /nfs/dbraw/zinc/05/54/01/1383055401.db2.gz OWCYGJGKWXTDGJ-SFHVURJKSA-N 2 1 340.471 3.075 20 0 EGADMP Cc1[nH+]ccn1CCNc1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1 ZINC001163924021 1383135876 /nfs/dbraw/zinc/13/58/76/1383135876.db2.gz PQNNGOHPSJHUSW-UHFFFAOYSA-N 2 1 337.471 3.423 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2cc(C)ccc2C)C1 ZINC001164449931 1383188086 /nfs/dbraw/zinc/18/80/86/1383188086.db2.gz UJNJFCQRBOBUMI-LJQANCHMSA-N 2 1 345.531 3.021 20 0 EGADMP CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001164541360 1383197676 /nfs/dbraw/zinc/19/76/76/1383197676.db2.gz ZGNRGJYNVOVJEG-GOSISDBHSA-N 2 1 349.563 3.317 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC1(C[NH2+]CCC2CC2)CC1 ZINC001164578466 1383201285 /nfs/dbraw/zinc/20/12/85/1383201285.db2.gz BJEGGUJLVAKRBU-MRXNPFEDSA-N 2 1 346.519 3.073 20 0 EGADMP C[NH+]1CCC(C2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)CC1 ZINC001165066932 1383220824 /nfs/dbraw/zinc/22/08/24/1383220824.db2.gz HGONNBDDYOFKPR-UHFFFAOYSA-N 2 1 343.519 3.025 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001165334651 1383276095 /nfs/dbraw/zinc/27/60/95/1383276095.db2.gz ZLNIAYTXSNOPKV-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165472234 1383299951 /nfs/dbraw/zinc/29/99/51/1383299951.db2.gz IFMIKFZOOQZLNJ-QZTJIDSGSA-N 2 1 337.552 3.172 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001165472546 1383300050 /nfs/dbraw/zinc/30/00/50/1383300050.db2.gz MRCQHIIOZZXTSI-SFFCAUCYSA-N 2 1 349.563 3.197 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001165472549 1383300444 /nfs/dbraw/zinc/30/04/44/1383300444.db2.gz MRCQHIIOZZXTSI-ZMBJWTFHSA-N 2 1 349.563 3.197 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001165567981 1383311000 /nfs/dbraw/zinc/31/10/00/1383311000.db2.gz CUXASDMBJUGZRW-XDXAGZTOSA-N 2 1 335.536 3.093 20 0 EGADMP CC(C)CCC[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001165569097 1383311369 /nfs/dbraw/zinc/31/13/69/1383311369.db2.gz RSPKERWBNGWSDI-SFHVURJKSA-N 2 1 337.552 3.173 20 0 EGADMP CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165728370 1383334669 /nfs/dbraw/zinc/33/46/69/1383334669.db2.gz QJJGJALIYQUEHA-MSOLQXFVSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+]Cc2ccccc2C)CC1 ZINC001165809817 1383348857 /nfs/dbraw/zinc/34/88/57/1383348857.db2.gz OVHNQKMCRNXAMR-UHFFFAOYSA-N 2 1 345.531 3.101 20 0 EGADMP C[C@@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001166736475 1383468098 /nfs/dbraw/zinc/46/80/98/1383468098.db2.gz NEGSNCBXNRFWMT-MSOLQXFVSA-N 2 1 337.552 3.031 20 0 EGADMP C[N@@H+](CC(=O)NCCC[NH2+]CC1CCCCCC1)CC(C)(C)C ZINC001166744084 1383470007 /nfs/dbraw/zinc/47/00/07/1383470007.db2.gz GXASUJBARBEXJD-UHFFFAOYSA-N 2 1 325.541 3.031 20 0 EGADMP C[N@@H+](CCc1ccccc1)CC(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001166751798 1383471295 /nfs/dbraw/zinc/47/12/95/1383471295.db2.gz WUNORTJJGHSQID-UHFFFAOYSA-N 2 1 347.547 3.083 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001166793126 1383478205 /nfs/dbraw/zinc/47/82/05/1383478205.db2.gz FNOHWNZJNBYGPX-SFHVURJKSA-N 2 1 337.552 3.175 20 0 EGADMP Cc1cc(N(C)C)nc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)[nH+]1 ZINC001166889983 1383494740 /nfs/dbraw/zinc/49/47/40/1383494740.db2.gz VFJPIYPEHLIAPI-KRWDZBQOSA-N 2 1 325.460 3.100 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001167240140 1383573155 /nfs/dbraw/zinc/57/31/55/1383573155.db2.gz CGIVGRBYLDGKGV-UHFFFAOYSA-N 2 1 325.541 3.031 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC1(C[NH2+]CCC2CC2)CC1 ZINC001167377775 1383615495 /nfs/dbraw/zinc/61/54/95/1383615495.db2.gz WHLYJXXQNMJQSJ-UHFFFAOYSA-N 2 1 346.519 3.073 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001167626682 1383692800 /nfs/dbraw/zinc/69/28/00/1383692800.db2.gz FFNWPKLNXIUDAG-LJQANCHMSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001167628366 1383693391 /nfs/dbraw/zinc/69/33/91/1383693391.db2.gz ZTGAUVPYXZJCSP-CTWPCTMYSA-N 2 1 337.552 3.172 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001167639796 1383695669 /nfs/dbraw/zinc/69/56/69/1383695669.db2.gz GKVJOUOXIIFJBB-UHFFFAOYSA-N 2 1 349.563 3.175 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001167639923 1383695893 /nfs/dbraw/zinc/69/58/93/1383695893.db2.gz HWFQNRRMXUKZMY-MRXNPFEDSA-N 2 1 349.494 3.105 20 0 EGADMP CCCC[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001167711063 1383719078 /nfs/dbraw/zinc/71/90/78/1383719078.db2.gz PXDUGRYJPPSHED-LJQANCHMSA-N 2 1 345.531 3.356 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2OCCC[C@@]2(COC)C1 ZINC001167821055 1383748725 /nfs/dbraw/zinc/74/87/25/1383748725.db2.gz AEZYGCYXCQQQID-OTWHNJEPSA-N 2 1 326.525 3.014 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(C1)c1ccccc1N(C)C2=O ZINC001167828097 1383751257 /nfs/dbraw/zinc/75/12/57/1383751257.db2.gz WIOYYTDYOGBTAN-LAUBAEHRSA-N 2 1 343.515 3.117 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN(C(=O)c2ccccc2)C[C@H]1C ZINC001167834477 1383753106 /nfs/dbraw/zinc/75/31/06/1383753106.db2.gz KLWHTIPJEGWDBA-RTBURBONSA-N 2 1 345.531 3.343 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](Oc2ccnc(OC)c2)C1 ZINC001167836218 1383753751 /nfs/dbraw/zinc/75/37/51/1383753751.db2.gz XTIUZYJFFLAGRD-FUHWJXTLSA-N 2 1 335.492 3.054 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001167836625 1383754733 /nfs/dbraw/zinc/75/47/33/1383754733.db2.gz GDOIESRMEJYSJA-ICSRJNTNSA-N 3 1 339.568 3.072 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)N1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001167836625 1383754737 /nfs/dbraw/zinc/75/47/37/1383754737.db2.gz GDOIESRMEJYSJA-ICSRJNTNSA-N 2 1 339.568 3.072 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)N1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001167836625 1383754738 /nfs/dbraw/zinc/75/47/38/1383754738.db2.gz GDOIESRMEJYSJA-ICSRJNTNSA-N 2 1 339.568 3.072 20 0 EGADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@@H]4C[C@H]5C[C@H]5C4)CC3)C2)cc1 ZINC001167939999 1383772954 /nfs/dbraw/zinc/77/29/54/1383772954.db2.gz KBDRYGBAPBMLAK-WKCHPHFGSA-N 2 1 340.511 3.460 20 0 EGADMP COC(=O)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccc1 ZINC001167959002 1383778874 /nfs/dbraw/zinc/77/88/74/1383778874.db2.gz MHVYMBJNFJVIGY-NXEWRWPSSA-N 2 1 342.483 3.286 20 0 EGADMP COC(=O)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167959002 1383778877 /nfs/dbraw/zinc/77/88/77/1383778877.db2.gz MHVYMBJNFJVIGY-NXEWRWPSSA-N 2 1 342.483 3.286 20 0 EGADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccc1 ZINC001167964647 1383780174 /nfs/dbraw/zinc/78/01/74/1383780174.db2.gz VXBJHSCTQNZVHU-VTHDOGFWSA-N 2 1 327.516 3.284 20 0 EGADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167964647 1383780179 /nfs/dbraw/zinc/78/01/79/1383780179.db2.gz VXBJHSCTQNZVHU-VTHDOGFWSA-N 2 1 327.516 3.284 20 0 EGADMP OC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965904 1383781538 /nfs/dbraw/zinc/78/15/38/1383781538.db2.gz PTMXGTJHZMDIRC-YGFFAISXSA-N 2 1 348.918 3.238 20 0 EGADMP OC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc(Cl)c1 ZINC001167982148 1383786451 /nfs/dbraw/zinc/78/64/51/1383786451.db2.gz YEIYQRUEXUXROW-OHSMVPPVSA-N 2 1 348.918 3.411 20 0 EGADMP Fc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167984780 1383787961 /nfs/dbraw/zinc/78/79/61/1383787961.db2.gz RJAMVABIAXKGQT-WCRBZPEASA-N 2 1 343.490 3.353 20 0 EGADMP Fc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167984780 1383787963 /nfs/dbraw/zinc/78/79/63/1383787963.db2.gz RJAMVABIAXKGQT-WCRBZPEASA-N 2 1 343.490 3.353 20 0 EGADMP CCOC(=O)C[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@@H]1C ZINC001168002730 1383793181 /nfs/dbraw/zinc/79/31/81/1383793181.db2.gz WLWADVNIKZOIET-DZUNGVIMSA-N 2 1 348.531 3.303 20 0 EGADMP CCOC(=O)C[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@@H]1C ZINC001168002730 1383793184 /nfs/dbraw/zinc/79/31/84/1383793184.db2.gz WLWADVNIKZOIET-DZUNGVIMSA-N 2 1 348.531 3.303 20 0 EGADMP CCOC(=O)C[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@@H]1C ZINC001168002730 1383793187 /nfs/dbraw/zinc/79/31/87/1383793187.db2.gz WLWADVNIKZOIET-DZUNGVIMSA-N 2 1 348.531 3.303 20 0 EGADMP C[NH+]1CCC2(CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)CC1 ZINC001168003252 1383793891 /nfs/dbraw/zinc/79/38/91/1383793891.db2.gz LYEHHDRPEJXOSM-YOFSQIOKSA-N 2 1 331.548 3.200 20 0 EGADMP C[NH+]1CCC2(CC1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001168003252 1383793896 /nfs/dbraw/zinc/79/38/96/1383793896.db2.gz LYEHHDRPEJXOSM-YOFSQIOKSA-N 3 1 331.548 3.200 20 0 EGADMP C[NH+]1CCC2(CC1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001168003252 1383793898 /nfs/dbraw/zinc/79/38/98/1383793898.db2.gz LYEHHDRPEJXOSM-YOFSQIOKSA-N 3 1 331.548 3.200 20 0 EGADMP CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168007791 1383795267 /nfs/dbraw/zinc/79/52/67/1383795267.db2.gz BHJDIIINJWJARV-DMUMMCEESA-N 2 1 345.531 3.275 20 0 EGADMP CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168007791 1383795270 /nfs/dbraw/zinc/79/52/70/1383795270.db2.gz BHJDIIINJWJARV-DMUMMCEESA-N 2 1 345.531 3.275 20 0 EGADMP CCOC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168020449 1383798209 /nfs/dbraw/zinc/79/82/09/1383798209.db2.gz NBGSSAGSCNFRMY-LZKBNWESSA-N 2 1 344.499 3.359 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168028902 1383799977 /nfs/dbraw/zinc/79/99/77/1383799977.db2.gz AEARBTIXFVGXKV-MOPGFXCFSA-N 2 1 335.536 3.070 20 0 EGADMP COC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168037137 1383800956 /nfs/dbraw/zinc/80/09/56/1383800956.db2.gz YWWALAGSJGRYET-DLRXZHIHSA-N 2 1 344.499 3.359 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2CCCC3(C2)OCCO3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168064628 1383808278 /nfs/dbraw/zinc/80/82/78/1383808278.db2.gz QZIGZBUMACJWDF-OPVJXMOQSA-N 2 1 344.499 3.267 20 0 EGADMP C[C@@H]1C[C@@H]([NH+]2CCCC3(C2)OCCO3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168064628 1383808280 /nfs/dbraw/zinc/80/82/80/1383808280.db2.gz QZIGZBUMACJWDF-OPVJXMOQSA-N 2 1 344.499 3.267 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC3(C2)OCCO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064628 1383808285 /nfs/dbraw/zinc/80/82/85/1383808285.db2.gz QZIGZBUMACJWDF-OPVJXMOQSA-N 2 1 344.499 3.267 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+]2CCCC3(C2)OCCO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064628 1383808286 /nfs/dbraw/zinc/80/82/86/1383808286.db2.gz QZIGZBUMACJWDF-OPVJXMOQSA-N 2 1 344.499 3.267 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001168229965 1383849899 /nfs/dbraw/zinc/84/98/99/1383849899.db2.gz DVWPMLSGSLWSAZ-WIYYLYMNSA-N 2 1 336.479 3.274 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168291486 1383864914 /nfs/dbraw/zinc/86/49/14/1383864914.db2.gz YYPRUAYKPLWGBE-FBLDJFESSA-N 2 1 335.536 3.092 20 0 EGADMP CCOC(=O)[C@H](CCc1ccccc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168294944 1383866121 /nfs/dbraw/zinc/86/61/21/1383866121.db2.gz JGQVKRRRTHHCBX-ACBHZAAOSA-N 2 1 332.488 3.013 20 0 EGADMP COC[C@H](C)[N@H+](Cc1cccc(OC)c1)C1CC[NH+](CC2CC2)CC1 ZINC001168387244 1383891672 /nfs/dbraw/zinc/89/16/72/1383891672.db2.gz AJTAXWWEVJFLKP-KRWDZBQOSA-N 2 1 346.515 3.407 20 0 EGADMP COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)C1CC[NH+](CC2CC2)CC1 ZINC001168387244 1383891678 /nfs/dbraw/zinc/89/16/78/1383891678.db2.gz AJTAXWWEVJFLKP-KRWDZBQOSA-N 2 1 346.515 3.407 20 0 EGADMP COC(=O)c1cccc([C@@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)c1 ZINC001168395228 1383895067 /nfs/dbraw/zinc/89/50/67/1383895067.db2.gz RQOQXXHANZJDMB-FQEVSTJZSA-N 2 1 342.483 3.485 20 0 EGADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2C2CC[NH+](CC3CC3)CC2)c1 ZINC001168395228 1383895070 /nfs/dbraw/zinc/89/50/70/1383895070.db2.gz RQOQXXHANZJDMB-FQEVSTJZSA-N 2 1 342.483 3.485 20 0 EGADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168413830 1383900595 /nfs/dbraw/zinc/90/05/95/1383900595.db2.gz BGGANBDZYNKUDF-SFHVURJKSA-N 3 1 335.511 3.158 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001168606086 1383946827 /nfs/dbraw/zinc/94/68/27/1383946827.db2.gz BSNCLBPYSOJPKC-CEXWTWQISA-N 2 1 337.552 3.031 20 0 EGADMP COC(=O)C1(C)CCC([NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)CC1 ZINC001168782392 1384003474 /nfs/dbraw/zinc/00/34/74/1384003474.db2.gz NYHOSMSXMJBBQQ-UHFFFAOYSA-N 2 1 345.487 3.051 20 0 EGADMP Cc1c2ccccc2sc1[C@@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001307660239 1384009276 /nfs/dbraw/zinc/00/92/76/1384009276.db2.gz BJAXXCPKUPKEOZ-OAHLLOKOSA-N 2 1 345.512 3.024 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC001307748634 1384025392 /nfs/dbraw/zinc/02/53/92/1384025392.db2.gz HOVYDPBZAHATBR-QGZVFWFLSA-N 2 1 341.540 3.488 20 0 EGADMP CCCCN(C[C@@H](O)C[N@@H+](C)C(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001307966346 1384065404 /nfs/dbraw/zinc/06/54/04/1384065404.db2.gz HGNKBAKCYYNDFJ-SFHVURJKSA-N 2 1 341.584 3.099 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC[C@@H]1CCc3ccc4c(c31)CCO4)C2 ZINC001169100461 1384107496 /nfs/dbraw/zinc/10/74/96/1384107496.db2.gz JJKQLMXZYFQZEE-FJIDUMEYSA-N 2 1 326.484 3.256 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc(C(=O)OC(C)(C)C)cc1)C2 ZINC001169108162 1384107979 /nfs/dbraw/zinc/10/79/79/1384107979.db2.gz OZDYEIAGLLBDBS-LDLYASANSA-N 2 1 344.499 3.399 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(CNC(=O)OC(C)(C)C)CCCC1)C2 ZINC001169108251 1384108388 /nfs/dbraw/zinc/10/83/88/1384108388.db2.gz PSQSTLJUUWTQSB-MUJYYYPQSA-N 2 1 337.508 3.039 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3cc(F)ccc3F)CC1)C2 ZINC001169109447 1384108712 /nfs/dbraw/zinc/10/87/12/1384108712.db2.gz IOJWIHJOLHQCHI-LDLYASANSA-N 2 1 349.469 3.144 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH3+])(Cc3cccc(Cl)c3)CC1)C2 ZINC001169119106 1384109553 /nfs/dbraw/zinc/10/95/53/1384109553.db2.gz QTYDJIDUNHEWHF-REPLKXPHSA-N 2 1 347.934 3.301 20 0 EGADMP Cc1nn2c(C[NH2+]C[C@H]3CCC[N@@H+](C(C)C)C3)c(C(C)C)nc2s1 ZINC001308253915 1384113245 /nfs/dbraw/zinc/11/32/45/1384113245.db2.gz FKPWWKLOSYVXFR-OAHLLOKOSA-N 2 1 349.548 3.433 20 0 EGADMP Cc1nn2c(C[NH2+]C[C@H]3CCC[N@H+](C(C)C)C3)c(C(C)C)nc2s1 ZINC001308253915 1384113247 /nfs/dbraw/zinc/11/32/47/1384113247.db2.gz FKPWWKLOSYVXFR-OAHLLOKOSA-N 2 1 349.548 3.433 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC001308270917 1384115102 /nfs/dbraw/zinc/11/51/02/1384115102.db2.gz WKUJENXORKQGNT-MRXNPFEDSA-N 2 1 340.254 3.278 20 0 EGADMP COc1ccccc1OCC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169152196 1384115525 /nfs/dbraw/zinc/11/55/25/1384115525.db2.gz AHNQSGGIEBLIFQ-REPLKXPHSA-N 2 1 344.499 3.411 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H](c2ccccc2)C1 ZINC001169155103 1384116194 /nfs/dbraw/zinc/11/61/94/1384116194.db2.gz YBZJYFMPYQVUQD-SWBPCFCJSA-N 2 1 342.483 3.238 20 0 EGADMP COC(=O)[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H](c2ccccc2)C1 ZINC001169155103 1384116195 /nfs/dbraw/zinc/11/61/95/1384116195.db2.gz YBZJYFMPYQVUQD-SWBPCFCJSA-N 2 1 342.483 3.238 20 0 EGADMP COC(=O)[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H](c2ccccc2)C1 ZINC001169155103 1384116197 /nfs/dbraw/zinc/11/61/97/1384116197.db2.gz YBZJYFMPYQVUQD-SWBPCFCJSA-N 2 1 342.483 3.238 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169291245 1384133132 /nfs/dbraw/zinc/13/31/32/1384133132.db2.gz WKKPXQQTTOSHGJ-GWFLUQINSA-N 2 1 330.472 3.084 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169291245 1384133134 /nfs/dbraw/zinc/13/31/34/1384133134.db2.gz WKKPXQQTTOSHGJ-GWFLUQINSA-N 2 1 330.472 3.084 20 0 EGADMP CCC[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC001308638564 1384138375 /nfs/dbraw/zinc/13/83/75/1384138375.db2.gz GEINOLGWLBNDQJ-OAQYLSRUSA-N 2 1 329.532 3.315 20 0 EGADMP CCC[C@@H]1CN(CC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001308638564 1384138378 /nfs/dbraw/zinc/13/83/78/1384138378.db2.gz GEINOLGWLBNDQJ-OAQYLSRUSA-N 2 1 329.532 3.315 20 0 EGADMP CCC[C@@H]1CN(CC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001308638564 1384138381 /nfs/dbraw/zinc/13/83/81/1384138381.db2.gz GEINOLGWLBNDQJ-OAQYLSRUSA-N 2 1 329.532 3.315 20 0 EGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CC[C@H](C(F)(F)C(=O)OCC)C1 ZINC001308793854 1384150148 /nfs/dbraw/zinc/15/01/48/1384150148.db2.gz TWUPMTHEAIPBIX-ILXRZTDVSA-N 2 1 334.451 3.064 20 0 EGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CC[C@H](C(F)(F)C(=O)OCC)C1 ZINC001308793854 1384150155 /nfs/dbraw/zinc/15/01/55/1384150155.db2.gz TWUPMTHEAIPBIX-ILXRZTDVSA-N 2 1 334.451 3.064 20 0 EGADMP CC(=O)N1CC[C@@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169527264 1384156436 /nfs/dbraw/zinc/15/64/36/1384156436.db2.gz SZRZHRNMJCYKOH-GUDVDZBRSA-N 2 1 349.906 3.033 20 0 EGADMP [NH3+]CCC[N@@H+](C1CCCCC1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169719917 1384178052 /nfs/dbraw/zinc/17/80/52/1384178052.db2.gz DRZRSFHDEQAEOV-HXUWFJFHSA-N 2 1 343.515 3.275 20 0 EGADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169721558 1384178469 /nfs/dbraw/zinc/17/84/69/1384178469.db2.gz SGYYDFBQRHDVGQ-IBGZPJMESA-N 2 1 331.504 3.003 20 0 EGADMP COCCN1CCOC[C@@]2(CCC[N@H+]([C@H](C)CCCC(C)C)C2)C1 ZINC001170078468 1384230268 /nfs/dbraw/zinc/23/02/68/1384230268.db2.gz SGMALQQQGRPMDL-UXHICEINSA-N 2 1 340.552 3.262 20 0 EGADMP C[C@H]1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)C1 ZINC001170145895 1384249054 /nfs/dbraw/zinc/24/90/54/1384249054.db2.gz WUZRDQUUGFMOMR-AZUAARDMSA-N 2 1 343.515 3.185 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]C[C@H](C)CC(C)C ZINC001170783846 1384384477 /nfs/dbraw/zinc/38/44/77/1384384477.db2.gz ABPODRSITWYIFP-MOPGFXCFSA-N 2 1 339.568 3.419 20 0 EGADMP CC(=O)c1ccc([C@H](C)Nc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1 ZINC001171056210 1384438126 /nfs/dbraw/zinc/43/81/26/1384438126.db2.gz LAEPWIRMKDTMFE-ZDUSSCGKSA-N 2 1 334.423 3.397 20 0 EGADMP Cc1[nH+]ccn1-c1cc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)ncn1 ZINC001171167461 1384458795 /nfs/dbraw/zinc/45/87/95/1384458795.db2.gz ZJUGJWUXEQYHMW-AWEZNQCLSA-N 2 1 346.438 3.113 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171254893 1384479794 /nfs/dbraw/zinc/47/97/94/1384479794.db2.gz VPNMNVXYXXVJTF-SJORKVTESA-N 2 1 334.508 3.071 20 0 EGADMP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171331254 1384496255 /nfs/dbraw/zinc/49/62/55/1384496255.db2.gz XSUYPOIVSHZSRM-OBNUAKFSSA-N 2 1 337.552 3.482 20 0 EGADMP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171547170 1384558870 /nfs/dbraw/zinc/55/88/70/1384558870.db2.gz RWJNHWOWVSXQNB-MJGOQNOKSA-N 2 1 337.552 3.316 20 0 EGADMP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171586262 1384572313 /nfs/dbraw/zinc/57/23/13/1384572313.db2.gz KMROLQQZQMHZTN-IBSYWUHOSA-N 2 1 325.541 3.338 20 0 EGADMP C[NH+]1C(C)(C)CC([N@H+]2CCCN(Cc3ccncc3)CC2)CC1(C)C ZINC001171628897 1384584983 /nfs/dbraw/zinc/58/49/83/1384584983.db2.gz LSOJNVISFCYEGM-UHFFFAOYSA-N 2 1 344.547 3.241 20 0 EGADMP C[NH+]1C(C)(C)CC(N2CCC[N@H+](Cc3ccncc3)CC2)CC1(C)C ZINC001171628897 1384584986 /nfs/dbraw/zinc/58/49/86/1384584986.db2.gz LSOJNVISFCYEGM-UHFFFAOYSA-N 2 1 344.547 3.241 20 0 EGADMP C[NH+]1C(C)(C)CC(N2CCC[N@@H+](Cc3ccncc3)CC2)CC1(C)C ZINC001171628897 1384584990 /nfs/dbraw/zinc/58/49/90/1384584990.db2.gz LSOJNVISFCYEGM-UHFFFAOYSA-N 2 1 344.547 3.241 20 0 EGADMP COc1cccc(O[C@@H]2CC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)n1 ZINC001171640794 1384589554 /nfs/dbraw/zinc/58/95/54/1384589554.db2.gz JICXZRPRADOXPJ-MRXNPFEDSA-N 2 1 347.503 3.195 20 0 EGADMP C[C@H]1C[C@H](NC(=[NH2+])c2ccc(Cl)nc2)C[N@@H+]1Cc1ccccc1 ZINC001171724780 1384613763 /nfs/dbraw/zinc/61/37/63/1384613763.db2.gz ARVFHMQFOWOFMQ-BBRMVZONSA-N 2 1 328.847 3.313 20 0 EGADMP C[C@H]1C[C@H](NC(=[NH2+])c2ccc(Cl)nc2)C[N@H+]1Cc1ccccc1 ZINC001171724780 1384613766 /nfs/dbraw/zinc/61/37/66/1384613766.db2.gz ARVFHMQFOWOFMQ-BBRMVZONSA-N 2 1 328.847 3.313 20 0 EGADMP C[C@H]1C[C@H](N(C(N)=[NH2+])c2ccccc2F)C[N@H+]1Cc1ccccc1 ZINC001171730417 1384617116 /nfs/dbraw/zinc/61/71/16/1384617116.db2.gz YQMQOYZTDNCEFS-HOCLYGCPSA-N 2 1 326.419 3.189 20 0 EGADMP C[C@@H]1C[C@@H](N2CC[C@@H]([NH+]3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171759407 1384627698 /nfs/dbraw/zinc/62/76/98/1384627698.db2.gz JIXOWKZWUNZRLK-HMXCVIKNSA-N 2 1 327.516 3.210 20 0 EGADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171867143 1384665928 /nfs/dbraw/zinc/66/59/28/1384665928.db2.gz UXKPMLADHSBZQA-FQEVSTJZSA-N 2 1 345.531 3.393 20 0 EGADMP CC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)OCCO1 ZINC001171971890 1384699739 /nfs/dbraw/zinc/69/97/39/1384699739.db2.gz KZOPHVRFUZSGFX-GOSISDBHSA-N 2 1 332.488 3.172 20 0 EGADMP CCOC(=O)[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974997 1384700407 /nfs/dbraw/zinc/70/04/07/1384700407.db2.gz JNVREIIGYDWREX-FUHWJXTLSA-N 2 1 332.488 3.218 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977912 1384701519 /nfs/dbraw/zinc/70/15/19/1384701519.db2.gz UWUCDDYLCXRHOF-HOJAQTOUSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977912 1384701523 /nfs/dbraw/zinc/70/15/23/1384701523.db2.gz UWUCDDYLCXRHOF-HOJAQTOUSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977912 1384701525 /nfs/dbraw/zinc/70/15/25/1384701525.db2.gz UWUCDDYLCXRHOF-HOJAQTOUSA-N 2 1 329.532 3.359 20 0 EGADMP C[NH+]1CCC2(C[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)CC1 ZINC001171987382 1384706818 /nfs/dbraw/zinc/70/68/18/1384706818.db2.gz ULNUIBILQMCXFF-FQEVSTJZSA-N 3 1 341.543 3.457 20 0 EGADMP C[NH+]1CCC2(C[NH+]([C@H]3CCN(Cc4ccccc4)C(C)(C)C3)C2)CC1 ZINC001171987382 1384706821 /nfs/dbraw/zinc/70/68/21/1384706821.db2.gz ULNUIBILQMCXFF-FQEVSTJZSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+]1CCC2(CN([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)CC1 ZINC001171987382 1384706823 /nfs/dbraw/zinc/70/68/23/1384706823.db2.gz ULNUIBILQMCXFF-FQEVSTJZSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+]1CCC2(CN([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)CC1 ZINC001171987382 1384706826 /nfs/dbraw/zinc/70/68/26/1384706826.db2.gz ULNUIBILQMCXFF-FQEVSTJZSA-N 2 1 341.543 3.457 20 0 EGADMP O[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063753 1384714401 /nfs/dbraw/zinc/71/44/01/1384714401.db2.gz CHGIHOOMHZFSOD-SSTJLMRISA-N 2 1 328.500 3.465 20 0 EGADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172062758 1384714591 /nfs/dbraw/zinc/71/45/91/1384714591.db2.gz RXCWPCMPFTVOFC-MXEMCNAFSA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062758 1384714594 /nfs/dbraw/zinc/71/45/94/1384714594.db2.gz RXCWPCMPFTVOFC-MXEMCNAFSA-N 2 1 327.516 3.256 20 0 EGADMP C[NH+]1CCC[C@@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062758 1384714597 /nfs/dbraw/zinc/71/45/97/1384714597.db2.gz RXCWPCMPFTVOFC-MXEMCNAFSA-N 2 1 327.516 3.256 20 0 EGADMP CN1CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062758 1384714600 /nfs/dbraw/zinc/71/46/00/1384714600.db2.gz RXCWPCMPFTVOFC-MXEMCNAFSA-N 2 1 327.516 3.256 20 0 EGADMP CN1CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062758 1384714605 /nfs/dbraw/zinc/71/46/05/1384714605.db2.gz RXCWPCMPFTVOFC-MXEMCNAFSA-N 2 1 327.516 3.256 20 0 EGADMP O[C@H]1CCCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068164 1384716435 /nfs/dbraw/zinc/71/64/35/1384716435.db2.gz HYBFSTOFRIGDSA-WOZUAGRISA-N 2 1 328.500 3.419 20 0 EGADMP O[C@H]1CCCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068164 1384716441 /nfs/dbraw/zinc/71/64/41/1384716441.db2.gz HYBFSTOFRIGDSA-WOZUAGRISA-N 2 1 328.500 3.419 20 0 EGADMP O[C@H]1CCCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068164 1384716443 /nfs/dbraw/zinc/71/64/43/1384716443.db2.gz HYBFSTOFRIGDSA-WOZUAGRISA-N 2 1 328.500 3.419 20 0 EGADMP O[C@H]1CCCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068164 1384716447 /nfs/dbraw/zinc/71/64/47/1384716447.db2.gz HYBFSTOFRIGDSA-WOZUAGRISA-N 2 1 328.500 3.419 20 0 EGADMP F[C@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172071461 1384717934 /nfs/dbraw/zinc/71/79/34/1384717934.db2.gz WYSHIRRJCPEGCC-WPVAHCMFSA-N 2 1 332.463 3.289 20 0 EGADMP F[C@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172071461 1384717936 /nfs/dbraw/zinc/71/79/36/1384717936.db2.gz WYSHIRRJCPEGCC-WPVAHCMFSA-N 2 1 332.463 3.289 20 0 EGADMP CCOC(=O)CC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074332 1384720300 /nfs/dbraw/zinc/72/03/00/1384720300.db2.gz HCVYGBOCIMLCGL-ACDBMABISA-N 2 1 344.499 3.457 20 0 EGADMP CCOC(=O)CC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074332 1384720306 /nfs/dbraw/zinc/72/03/06/1384720306.db2.gz HCVYGBOCIMLCGL-ACDBMABISA-N 2 1 344.499 3.457 20 0 EGADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172081773 1384722284 /nfs/dbraw/zinc/72/22/84/1384722284.db2.gz YZMKJWYHWLKMSW-FVQHAEBGSA-N 2 1 339.524 3.366 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCCCNC(=O)OC(C)(C)C)C2 ZINC001172103716 1384727577 /nfs/dbraw/zinc/72/75/77/1384727577.db2.gz WYUHMHXVPWVYDN-OSYLJGHBSA-N 2 1 339.524 3.286 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H](OC(=O)NC(C)(C)C)C1)C2 ZINC001172109118 1384727944 /nfs/dbraw/zinc/72/79/44/1384727944.db2.gz GREVURIDUAJREU-NQNKBUKLSA-N 2 1 337.508 3.037 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H](OC(=O)NC(C)(C)C)C1)C2 ZINC001172109118 1384727948 /nfs/dbraw/zinc/72/79/48/1384727948.db2.gz GREVURIDUAJREU-NQNKBUKLSA-N 2 1 337.508 3.037 20 0 EGADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CS2 ZINC001172113199 1384731502 /nfs/dbraw/zinc/73/15/02/1384731502.db2.gz HJXWFPXQIYPRAW-YHUYYLMFSA-N 2 1 332.513 3.317 20 0 EGADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CS2 ZINC001172113199 1384731504 /nfs/dbraw/zinc/73/15/04/1384731504.db2.gz HJXWFPXQIYPRAW-YHUYYLMFSA-N 2 1 332.513 3.317 20 0 EGADMP C[N@H+](C1CCOCC1)C1CC[NH+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172206817 1384748628 /nfs/dbraw/zinc/74/86/28/1384748628.db2.gz VCIMGPWIAXPSMT-IBGZPJMESA-N 2 1 346.540 3.279 20 0 EGADMP C[N@@H+](C1CCOCC1)C1CC[NH+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172206817 1384748630 /nfs/dbraw/zinc/74/86/30/1384748630.db2.gz VCIMGPWIAXPSMT-IBGZPJMESA-N 2 1 346.540 3.279 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC001172258356 1384756766 /nfs/dbraw/zinc/75/67/66/1384756766.db2.gz ZCKNOLGCGYRDOJ-HXUWFJFHSA-N 2 1 334.479 3.334 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC001172258356 1384756768 /nfs/dbraw/zinc/75/67/68/1384756768.db2.gz ZCKNOLGCGYRDOJ-HXUWFJFHSA-N 2 1 334.479 3.334 20 0 EGADMP CCOCC[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC001172413551 1384787138 /nfs/dbraw/zinc/78/71/38/1384787138.db2.gz AUNXXXTYDULIJV-KRWDZBQOSA-N 2 1 334.504 3.107 20 0 EGADMP COc1cccc(C2([NH3+])CC[NH+]([C@H](C)CCOCC(C)C)CC2)c1 ZINC001172469069 1384799999 /nfs/dbraw/zinc/79/99/99/1384799999.db2.gz QUGGSVXISKILSR-QGZVFWFLSA-N 2 1 334.504 3.396 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172562088 1384812307 /nfs/dbraw/zinc/81/23/07/1384812307.db2.gz UFNQZHWJXPHKEA-IVAOSVALSA-N 2 1 327.516 3.033 20 0 EGADMP CCCC[C@H]1C[C@H]([NH2+]C2(C[NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001172632369 1384823275 /nfs/dbraw/zinc/82/32/75/1384823275.db2.gz HRAWONHNADKRPH-CABCVRRESA-N 2 1 325.497 3.026 20 0 EGADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H](C)CCC(=O)OC(C)C)CC1 ZINC001172744099 1384842018 /nfs/dbraw/zinc/84/20/18/1384842018.db2.gz OSJIGSOJJMWQLZ-MRXNPFEDSA-N 2 1 333.476 3.069 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001317097995 1384860592 /nfs/dbraw/zinc/86/05/92/1384860592.db2.gz IVDIFGILCNJZFN-IHWFROFDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001317097995 1384860595 /nfs/dbraw/zinc/86/05/95/1384860595.db2.gz IVDIFGILCNJZFN-IHWFROFDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1 ZINC001317097995 1384860597 /nfs/dbraw/zinc/86/05/97/1384860597.db2.gz IVDIFGILCNJZFN-IHWFROFDSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001172962546 1384891402 /nfs/dbraw/zinc/89/14/02/1384891402.db2.gz FIPMHNNNPOSQFG-BRWVUGGUSA-N 2 1 341.540 3.340 20 0 EGADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001172962549 1384891597 /nfs/dbraw/zinc/89/15/97/1384891597.db2.gz FIPMHNNNPOSQFG-GVDBMIGSSA-N 2 1 341.540 3.340 20 0 EGADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001172972681 1384893258 /nfs/dbraw/zinc/89/32/58/1384893258.db2.gz XZSSUIUIXSKJJS-OAHLLOKOSA-N 2 1 339.524 3.191 20 0 EGADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001172972681 1384893259 /nfs/dbraw/zinc/89/32/59/1384893259.db2.gz XZSSUIUIXSKJJS-OAHLLOKOSA-N 2 1 339.524 3.191 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](Oc3cccc(C)n3)C2)CC1 ZINC001173112567 1384917003 /nfs/dbraw/zinc/91/70/03/1384917003.db2.gz AHYKBILNDOOMQJ-ACBHZAAOSA-N 2 1 331.504 3.496 20 0 EGADMP CCc1noc([C@H]2CCC[N@H+](C3CCC([NH+](CC)CC)CC3)C2)n1 ZINC001173113350 1384917532 /nfs/dbraw/zinc/91/75/32/1384917532.db2.gz NNAZEDSXVVEBRG-GTPINHCMSA-N 2 1 334.508 3.464 20 0 EGADMP CC[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC001173269779 1384947863 /nfs/dbraw/zinc/94/78/63/1384947863.db2.gz XTORMEUTZNNEOR-WJMWBRGCSA-N 2 1 333.564 3.494 20 0 EGADMP CC[C@@H]1CC[C@@H]([N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001173281356 1384950989 /nfs/dbraw/zinc/95/09/89/1384950989.db2.gz XXVZOLOGNRWYLX-QZTJIDSGSA-N 2 1 330.520 3.306 20 0 EGADMP CC[N@H+]1CC[C@H](N2CCC3(CC[C@@H]3[NH+](C)Cc3ccco3)CC2)C1 ZINC001173364964 1384964200 /nfs/dbraw/zinc/96/42/00/1384964200.db2.gz WBAZZDXVFNHDKL-HKUYNNGSSA-N 2 1 331.504 3.050 20 0 EGADMP CC[NH+]1CC[C@H](N2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)C1 ZINC001173364964 1384964202 /nfs/dbraw/zinc/96/42/02/1384964202.db2.gz WBAZZDXVFNHDKL-HKUYNNGSSA-N 2 1 331.504 3.050 20 0 EGADMP CC[NH+]1CC[C@H](N2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)C1 ZINC001173364964 1384964207 /nfs/dbraw/zinc/96/42/07/1384964207.db2.gz WBAZZDXVFNHDKL-HKUYNNGSSA-N 2 1 331.504 3.050 20 0 EGADMP CC[N@@H+]1CC[C@H](N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C1 ZINC001173363075 1384964445 /nfs/dbraw/zinc/96/44/45/1384964445.db2.gz LBFAZVHVKXIXSI-INIZCTEOSA-N 2 1 344.890 3.104 20 0 EGADMP CC[N@H+]1CC[C@H](N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C1 ZINC001173363075 1384964448 /nfs/dbraw/zinc/96/44/48/1384964448.db2.gz LBFAZVHVKXIXSI-INIZCTEOSA-N 2 1 344.890 3.104 20 0 EGADMP CCOC(=O)[C@@H]1CC12CCC([NH2+]CCC[N@H+]1CCCC[C@H]1C)CC2 ZINC001173605672 1384986587 /nfs/dbraw/zinc/98/65/87/1384986587.db2.gz XRVOJBFGVCWNDX-BHASAWDCSA-N 2 1 336.520 3.353 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001173635181 1384993514 /nfs/dbraw/zinc/99/35/14/1384993514.db2.gz UMRRKUYIPAJDMQ-QYZOEREBSA-N 2 1 336.520 3.353 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001173635181 1384993517 /nfs/dbraw/zinc/99/35/17/1384993517.db2.gz UMRRKUYIPAJDMQ-QYZOEREBSA-N 2 1 336.520 3.353 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@H]([N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])C1 ZINC001173647343 1384995366 /nfs/dbraw/zinc/99/53/66/1384995366.db2.gz BIOQBGCYZGTCSU-QRQLOZEOSA-N 2 1 332.488 3.205 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001173658563 1384998326 /nfs/dbraw/zinc/99/83/26/1384998326.db2.gz QSSADFRCGHPCSZ-XWSJACJDSA-N 2 1 336.520 3.447 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001173658563 1384998328 /nfs/dbraw/zinc/99/83/28/1384998328.db2.gz QSSADFRCGHPCSZ-XWSJACJDSA-N 2 1 336.520 3.447 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001173658563 1384998329 /nfs/dbraw/zinc/99/83/29/1384998329.db2.gz QSSADFRCGHPCSZ-XWSJACJDSA-N 2 1 336.520 3.447 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC001173722664 1385009565 /nfs/dbraw/zinc/00/95/65/1385009565.db2.gz UMNJPFRAHPRWAE-MAUKXSAKSA-N 2 1 330.472 3.011 20 0 EGADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC001173722664 1385009579 /nfs/dbraw/zinc/00/95/79/1385009579.db2.gz UMNJPFRAHPRWAE-MAUKXSAKSA-N 2 1 330.472 3.011 20 0 EGADMP Cc1cc(C)cc(C[N@@H+](C)CCNC(=O)CCC[NH+]2CCCCC2)c1 ZINC001317469589 1385163805 /nfs/dbraw/zinc/16/38/05/1385163805.db2.gz HINOBKPXPSOLFO-UHFFFAOYSA-N 2 1 345.531 3.118 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC/C=C/c1ccccc1)[NH+](C)C ZINC001317513022 1385226503 /nfs/dbraw/zinc/22/65/03/1385226503.db2.gz RCZOBWXRZVMODE-VXDDHJSKSA-N 2 1 343.515 3.011 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175257263 1385231936 /nfs/dbraw/zinc/23/19/36/1385231936.db2.gz XYNQJSOOWAODHS-MSOLQXFVSA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175264282 1385234244 /nfs/dbraw/zinc/23/42/44/1385234244.db2.gz RXDZRQNGJLXYHZ-MSOLQXFVSA-N 2 1 325.541 3.029 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1c(C)cccc1C ZINC001317543372 1385285071 /nfs/dbraw/zinc/28/50/71/1385285071.db2.gz VCJDNGYENJZTAV-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1c(C)cccc1C ZINC001317543372 1385285076 /nfs/dbraw/zinc/28/50/76/1385285076.db2.gz VCJDNGYENJZTAV-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1c(C)cccc1C ZINC001317543372 1385285080 /nfs/dbraw/zinc/28/50/80/1385285080.db2.gz VCJDNGYENJZTAV-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175528534 1385321457 /nfs/dbraw/zinc/32/14/57/1385321457.db2.gz HYFKEMZTBRBTHT-KRWDZBQOSA-N 2 1 336.524 3.317 20 0 EGADMP C[C@H](C(=O)NCC[N@@H+](CC1CCCCC1)C1CC1)[NH+]1CCCCCC1 ZINC001317558139 1385329825 /nfs/dbraw/zinc/32/98/25/1385329825.db2.gz GERDNKBEFWLESO-GOSISDBHSA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC001175905915 1385434743 /nfs/dbraw/zinc/43/47/43/1385434743.db2.gz FIXYCJAPDWCYCS-UXHICEINSA-N 2 1 333.495 3.379 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC ZINC001176112653 1385487787 /nfs/dbraw/zinc/48/77/87/1385487787.db2.gz XPZOZEKVNPVCHQ-ZWKOTPCHSA-N 2 1 325.541 3.316 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]C(C)C)c1ccccc1 ZINC001176120243 1385489293 /nfs/dbraw/zinc/48/92/93/1385489293.db2.gz LTTHSPWSZGCEQR-HKUYNNGSSA-N 2 1 333.520 3.352 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001176286747 1385539629 /nfs/dbraw/zinc/53/96/29/1385539629.db2.gz XKJJGHWUOGXOHF-LJQANCHMSA-N 2 1 347.547 3.410 20 0 EGADMP CCC[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001317876355 1385555959 /nfs/dbraw/zinc/55/59/59/1385555959.db2.gz GYOBYESVOGCQQW-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001317876355 1385555961 /nfs/dbraw/zinc/55/59/61/1385555961.db2.gz GYOBYESVOGCQQW-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001317876355 1385555962 /nfs/dbraw/zinc/55/59/62/1385555962.db2.gz GYOBYESVOGCQQW-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP Cc1[nH+]c2ccccn2c1Nc1ccc(OCCC[NH+](C)C)nc1 ZINC001176353691 1385560782 /nfs/dbraw/zinc/56/07/82/1385560782.db2.gz FFPZPSYXZFZXPV-UHFFFAOYSA-N 2 1 325.416 3.112 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(Nc2cnn(CC[NH+]3CCCC3)c2)cc1 ZINC001176558978 1385625006 /nfs/dbraw/zinc/62/50/06/1385625006.db2.gz MCVSZSVWQVDWGG-UHFFFAOYSA-N 2 1 336.443 3.217 20 0 EGADMP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001176563137 1385625808 /nfs/dbraw/zinc/62/58/08/1385625808.db2.gz BCTBPOLDHQMLFD-ICSRJNTNSA-N 2 1 345.531 3.020 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176564196 1385626264 /nfs/dbraw/zinc/62/62/64/1385626264.db2.gz MVQVHHZYIWRBJW-MJGOQNOKSA-N 2 1 349.563 3.173 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001176564856 1385626410 /nfs/dbraw/zinc/62/64/10/1385626410.db2.gz SAGWSCMUKYGUAP-OALUTQOASA-N 2 1 345.531 3.020 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001318373335 1385658489 /nfs/dbraw/zinc/65/84/89/1385658489.db2.gz DAPBTGNAMLVUHF-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCC1CCCC1 ZINC001176759291 1385685812 /nfs/dbraw/zinc/68/58/12/1385685812.db2.gz IERUERJNLIRRBN-QGZVFWFLSA-N 2 1 325.541 3.172 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCCc1ccccc1 ZINC001176759914 1385687114 /nfs/dbraw/zinc/68/71/14/1385687114.db2.gz ODVGNXNLPYUHRF-IBGZPJMESA-N 2 1 347.547 3.224 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177342001 1385921457 /nfs/dbraw/zinc/92/14/57/1385921457.db2.gz GWZTWYMVKXNWIN-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+](CC(=O)NCCC[NH2+]CCC1=CCCCC1)Cc1ccccc1 ZINC001177344711 1385922265 /nfs/dbraw/zinc/92/22/65/1385922265.db2.gz RDIHGGPBUXLXLS-UHFFFAOYSA-N 2 1 343.515 3.105 20 0 EGADMP C[N@@H+](CC(=O)NCCC[NH2+]CCC1=CCCCC1)Cc1ccccc1 ZINC001177344711 1385922269 /nfs/dbraw/zinc/92/22/69/1385922269.db2.gz RDIHGGPBUXLXLS-UHFFFAOYSA-N 2 1 343.515 3.105 20 0 EGADMP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001177416225 1385949281 /nfs/dbraw/zinc/94/92/81/1385949281.db2.gz WPUUUPCFBNHHQM-AZUAARDMSA-N 2 1 349.563 3.149 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(CCC[NH2+]C[C@@H](F)CC)CC1CCCC1 ZINC001177466674 1385966797 /nfs/dbraw/zinc/96/67/97/1385966797.db2.gz BCDIJPIMDSCIAL-SFHVURJKSA-N 2 1 343.531 3.075 20 0 EGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001177487683 1385975615 /nfs/dbraw/zinc/97/56/15/1385975615.db2.gz KMPHJOGWNJAXEZ-YLJYHZDGSA-N 2 1 325.456 3.405 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCCC2)CCCC1 ZINC001319363056 1386080297 /nfs/dbraw/zinc/08/02/97/1386080297.db2.gz OLJHSZAQGHXOOK-IBGZPJMESA-N 2 1 349.563 3.460 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CC2(NC(=O)[C@@H]3CCC[N@H+]3C)CCCC2)c1 ZINC001698628449 1406270955 /nfs/dbraw/zinc/27/09/55/1406270955.db2.gz ULLYVCQCXPHXGK-HKUYNNGSSA-N 2 1 343.515 3.169 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001319559480 1386178015 /nfs/dbraw/zinc/17/80/15/1386178015.db2.gz SBSBPMFZTPMMGM-IAGOWNOFSA-N 2 1 345.531 3.015 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178484614 1386231693 /nfs/dbraw/zinc/23/16/93/1386231693.db2.gz WWRDBEYZBZQJSR-RTBURBONSA-N 2 1 337.552 3.173 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCCCCC[NH2+]CCCF ZINC001178526963 1386240973 /nfs/dbraw/zinc/24/09/73/1386240973.db2.gz GHYSFIHTDKALDG-INIZCTEOSA-N 2 1 340.487 3.022 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001178634269 1386264996 /nfs/dbraw/zinc/26/49/96/1386264996.db2.gz QYFPVLAFDNQXTN-GOSISDBHSA-N 2 1 325.541 3.317 20 0 EGADMP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707653 1386285284 /nfs/dbraw/zinc/28/52/84/1386285284.db2.gz LIXRDSHPMHVTBF-NSHGMRRFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178810546 1386314426 /nfs/dbraw/zinc/31/44/26/1386314426.db2.gz FROGRAGJUPTKLF-RTBURBONSA-N 2 1 337.552 3.316 20 0 EGADMP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001178832695 1386321349 /nfs/dbraw/zinc/32/13/49/1386321349.db2.gz HTNSCTBGSGFJBK-GOSISDBHSA-N 2 1 325.541 3.173 20 0 EGADMP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001178889866 1386339479 /nfs/dbraw/zinc/33/94/79/1386339479.db2.gz AHKPJTDEHWWCPB-SKNOTLCPSA-N 2 1 344.503 3.086 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CC2CCC2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001179234082 1386428343 /nfs/dbraw/zinc/42/83/43/1386428343.db2.gz HULWCYMLAORUQY-LPHOPBHVSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC001179338146 1386455627 /nfs/dbraw/zinc/45/56/27/1386455627.db2.gz DDLCLRGPEXXCOW-LPHOPBHVSA-N 2 1 334.467 3.421 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC001179338146 1386455629 /nfs/dbraw/zinc/45/56/29/1386455629.db2.gz DDLCLRGPEXXCOW-LPHOPBHVSA-N 2 1 334.467 3.421 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC001179338146 1386455632 /nfs/dbraw/zinc/45/56/32/1386455632.db2.gz DDLCLRGPEXXCOW-LPHOPBHVSA-N 2 1 334.467 3.421 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]C[C@H](F)CC)C1 ZINC001179357755 1386462056 /nfs/dbraw/zinc/46/20/56/1386462056.db2.gz KUYATKHGLTWLJI-QZTJIDSGSA-N 2 1 343.531 3.123 20 0 EGADMP C[C@@H](c1ccccc1F)[N@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001320090744 1386504586 /nfs/dbraw/zinc/50/45/86/1386504586.db2.gz PKAFJYOYZBYQKK-KRWDZBQOSA-N 2 1 349.494 3.153 20 0 EGADMP C[C@@H](c1ccccc1F)[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001320090744 1386504588 /nfs/dbraw/zinc/50/45/88/1386504588.db2.gz PKAFJYOYZBYQKK-KRWDZBQOSA-N 2 1 349.494 3.153 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001179585412 1386523098 /nfs/dbraw/zinc/52/30/98/1386523098.db2.gz GZCSUOBBLRKKQB-QUCCMNQESA-N 2 1 349.563 3.341 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001179592800 1386526465 /nfs/dbraw/zinc/52/64/65/1386526465.db2.gz OMCDHRKOOAQWNY-UHFFFAOYSA-N 2 1 327.557 3.421 20 0 EGADMP C[N@@H+](CC(=O)NCCCCCC[NH2+]CCC1CC1)CC(C)(C)C ZINC001179592525 1386526615 /nfs/dbraw/zinc/52/66/15/1386526615.db2.gz FTFJSLWMMZXNCG-UHFFFAOYSA-N 2 1 325.541 3.031 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NCCCCCC[NH2+]CC2=CCCCC2)C1 ZINC001179592621 1386526652 /nfs/dbraw/zinc/52/66/52/1386526652.db2.gz KFXHVMGPZFLRSH-UHFFFAOYSA-N 2 1 349.563 3.485 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)[C@@H]1C ZINC001179719884 1386564249 /nfs/dbraw/zinc/56/42/49/1386564249.db2.gz RTRIVOPTVXIIGM-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP O=C(NCCCCCC[NH2+]CC1CCC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179788043 1386585871 /nfs/dbraw/zinc/58/58/71/1386585871.db2.gz KQKATWXMUAPMMS-RBUKOAKNSA-N 2 1 335.536 3.070 20 0 EGADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)CCCn1cc[nH+]c1C ZINC001179823782 1386596735 /nfs/dbraw/zinc/59/67/35/1386596735.db2.gz BFBBBVCKSVFOQM-KRWDZBQOSA-N 2 1 336.524 3.284 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001320510259 1386632966 /nfs/dbraw/zinc/63/29/66/1386632966.db2.gz UKRWKGWKZZHPTD-FQEVSTJZSA-N 2 1 345.531 3.220 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)[C@@H]1C ZINC001179978650 1386656423 /nfs/dbraw/zinc/65/64/23/1386656423.db2.gz GVOVGYBMXUDKJT-HKUYNNGSSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NCCCCCC[NH2+]C(C)C)c1ccccc1 ZINC001180039714 1386676883 /nfs/dbraw/zinc/67/68/83/1386676883.db2.gz IIEUPBKRVMWDPW-IBGZPJMESA-N 2 1 333.520 3.354 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCCCCCC[NH2+]CCCC2CCC2)C1 ZINC001180060555 1386683975 /nfs/dbraw/zinc/68/39/75/1386683975.db2.gz HHCFHFKVVWYBND-LJQANCHMSA-N 2 1 337.552 3.175 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]Cc1cccc(CC)c1 ZINC001180123656 1386703938 /nfs/dbraw/zinc/70/39/38/1386703938.db2.gz JLRMWKFFMRIDOQ-UHFFFAOYSA-N 2 1 347.547 3.357 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)[C@@H]1C ZINC001180226608 1386738435 /nfs/dbraw/zinc/73/84/35/1386738435.db2.gz CRNGIOGKVZRLFE-WMZOPIPTSA-N 2 1 337.552 3.122 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NCCCCCC[NH2+]CCCC1CCCC1 ZINC001180274666 1386752469 /nfs/dbraw/zinc/75/24/69/1386752469.db2.gz PUTSAEWGPUDWML-UHFFFAOYSA-N 2 1 348.535 3.428 20 0 EGADMP CCc1ccccc1C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C ZINC001180369758 1386776518 /nfs/dbraw/zinc/77/65/18/1386776518.db2.gz WARFQWRSOWWIAH-UHFFFAOYSA-N 2 1 347.547 3.355 20 0 EGADMP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181727898 1387046790 /nfs/dbraw/zinc/04/67/90/1387046790.db2.gz FLLAXNYOXGTZMP-SVFBPWRDSA-N 2 1 349.563 3.290 20 0 EGADMP CC(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001181728248 1387046897 /nfs/dbraw/zinc/04/68/97/1387046897.db2.gz ITFCYYJWAQNQFU-YFVAEKQCSA-N 2 1 349.563 3.124 20 0 EGADMP CCCCC[N@H+](C)CCC(=O)Nc1ccnc(-c2cc(N)cc[nH+]2)c1 ZINC001181858795 1387064901 /nfs/dbraw/zinc/06/49/01/1387064901.db2.gz HRZDTDMVSGHEIG-UHFFFAOYSA-N 2 1 341.459 3.176 20 0 EGADMP CCCCC[N@@H+](C)CCC(=O)Nc1ccnc(-c2cc(N)cc[nH+]2)c1 ZINC001181858795 1387064902 /nfs/dbraw/zinc/06/49/02/1387064902.db2.gz HRZDTDMVSGHEIG-UHFFFAOYSA-N 2 1 341.459 3.176 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001181941735 1387080072 /nfs/dbraw/zinc/08/00/72/1387080072.db2.gz NHRWTUSVQUDSKN-DYESRHJHSA-N 2 1 349.563 3.291 20 0 EGADMP Cc1nccn1-c1ccncc1NC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC001322159603 1387081481 /nfs/dbraw/zinc/08/14/81/1387081481.db2.gz YFBQCRVOUXOMMK-UWJYYQICSA-N 2 1 344.418 3.418 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)Nc1cccnc1C[NH3+])c1ccccc1 ZINC001182235740 1387129373 /nfs/dbraw/zinc/12/93/73/1387129373.db2.gz JIBITLDDKMRRML-IBGZPJMESA-N 2 1 340.471 3.342 20 0 EGADMP CCc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]2CCCCC2)cc1 ZINC001322308734 1387153684 /nfs/dbraw/zinc/15/36/84/1387153684.db2.gz ZGBUSZZKVHDCIA-SFHVURJKSA-N 2 1 345.531 3.062 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001182692095 1387207957 /nfs/dbraw/zinc/20/79/57/1387207957.db2.gz BTQUCONBXSGYMM-IAGOWNOFSA-N 2 1 334.508 3.167 20 0 EGADMP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)NC2CCCCCC2)n1 ZINC001322860738 1387248368 /nfs/dbraw/zinc/24/83/68/1387248368.db2.gz FAWLKSYRKWFQQA-GOSISDBHSA-N 2 1 344.503 3.105 20 0 EGADMP Cc1cccc(NC[C@H]2CCCN2CC(=O)NC2CCCCCC2)n1 ZINC001322860738 1387248373 /nfs/dbraw/zinc/24/83/73/1387248373.db2.gz FAWLKSYRKWFQQA-GOSISDBHSA-N 2 1 344.503 3.105 20 0 EGADMP Cc1cc2ncn(C[N@@H+]3C[C@@H]4CC[C@H]([NH+](C)C)C[C@H]4C3)c2cc1C ZINC001336078833 1389008607 /nfs/dbraw/zinc/00/86/07/1389008607.db2.gz PLEVCWIOGLHJLZ-BZSNNMDCSA-N 2 1 326.488 3.273 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(C)c1 ZINC001329490738 1389131150 /nfs/dbraw/zinc/13/11/50/1389131150.db2.gz NYCNMSDUAVEORY-GOSISDBHSA-N 2 1 343.515 3.404 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1C1CC1)[NH+](C)C ZINC001329600746 1389177042 /nfs/dbraw/zinc/17/70/42/1389177042.db2.gz OMUPHKHEVMWSAI-OXQOHEQNSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001330499982 1389432124 /nfs/dbraw/zinc/43/21/24/1389432124.db2.gz PNGLRRNYELYIEJ-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001330499982 1389432127 /nfs/dbraw/zinc/43/21/27/1389432127.db2.gz PNGLRRNYELYIEJ-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001330499982 1389432131 /nfs/dbraw/zinc/43/21/31/1389432131.db2.gz PNGLRRNYELYIEJ-RTBURBONSA-N 2 1 349.563 3.077 20 0 EGADMP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)c(C)c1 ZINC001331560439 1389799419 /nfs/dbraw/zinc/79/94/19/1389799419.db2.gz LCRCKPKUPHTTTG-SFHVURJKSA-N 2 1 347.547 3.218 20 0 EGADMP C[C@@H]1[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001331916149 1389909487 /nfs/dbraw/zinc/90/94/87/1389909487.db2.gz DCWGCMKWDOCKMG-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC)Cc1ccc(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC001339139928 1389917359 /nfs/dbraw/zinc/91/73/59/1389917359.db2.gz OABITXBDBKGRNB-UHFFFAOYSA-N 2 1 349.438 3.361 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H]1C ZINC001332199534 1390036416 /nfs/dbraw/zinc/03/64/16/1390036416.db2.gz QDOPQOJKQTVNFU-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC001332199534 1390036421 /nfs/dbraw/zinc/03/64/21/1390036421.db2.gz QDOPQOJKQTVNFU-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC001332199534 1390036427 /nfs/dbraw/zinc/03/64/27/1390036427.db2.gz QDOPQOJKQTVNFU-HKUYNNGSSA-N 2 1 337.552 3.266 20 0 EGADMP Cc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C)c(C)c1 ZINC001332838073 1390197607 /nfs/dbraw/zinc/19/76/07/1390197607.db2.gz OKCKDMDMTBOIMU-RTBURBONSA-N 2 1 345.531 3.018 20 0 EGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC001340515462 1390303848 /nfs/dbraw/zinc/30/38/48/1390303848.db2.gz OEBNVCVFJFZJLI-GJZGRUSLSA-N 2 1 329.488 3.299 20 0 EGADMP C[N@@H+](Cc1ccc(O)c(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001333681518 1390373422 /nfs/dbraw/zinc/37/34/22/1390373422.db2.gz UCYZZOKVUAPDQJ-SFHVURJKSA-N 2 1 328.431 3.485 20 0 EGADMP C[N@H+](Cc1ccc(O)c(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001333681518 1390373425 /nfs/dbraw/zinc/37/34/25/1390373425.db2.gz UCYZZOKVUAPDQJ-SFHVURJKSA-N 2 1 328.431 3.485 20 0 EGADMP C[NH+](Cc1ccc(O)c(F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001333681518 1390373428 /nfs/dbraw/zinc/37/34/28/1390373428.db2.gz UCYZZOKVUAPDQJ-SFHVURJKSA-N 2 1 328.431 3.485 20 0 EGADMP C[NH+](Cc1ccc(O)c(F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001333681518 1390373430 /nfs/dbraw/zinc/37/34/30/1390373430.db2.gz UCYZZOKVUAPDQJ-SFHVURJKSA-N 2 1 328.431 3.485 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCN(c4ccccc4)C3)C[C@@H]2C1 ZINC001333841090 1390420379 /nfs/dbraw/zinc/42/03/79/1390420379.db2.gz KGFFVTWZNKHWBO-YOUFYPILSA-N 2 1 327.516 3.175 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)C[C@@H]([NH3+])Cc2ccccc2)cc1Cl ZINC001341610936 1390509693 /nfs/dbraw/zinc/50/96/93/1390509693.db2.gz ZAPHTFHGGCHKHD-INIZCTEOSA-N 2 1 345.874 3.300 20 0 EGADMP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccncc1 ZINC001344428685 1390790775 /nfs/dbraw/zinc/79/07/75/1390790775.db2.gz ALNKMDUDWIOZIP-NRFANRHFSA-N 2 1 338.499 3.070 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3nc(C)c(C)s3)CC2)oc1C ZINC001351987294 1391738916 /nfs/dbraw/zinc/73/89/16/1391738916.db2.gz MZZFUNRLFUSIRM-UHFFFAOYSA-N 2 1 348.516 3.367 20 0 EGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC001353532049 1392033944 /nfs/dbraw/zinc/03/39/44/1392033944.db2.gz VCRRTAFIJRWGCB-SFHVURJKSA-N 2 1 347.466 3.037 20 0 EGADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC001353532049 1392033946 /nfs/dbraw/zinc/03/39/46/1392033946.db2.gz VCRRTAFIJRWGCB-SFHVURJKSA-N 2 1 347.466 3.037 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCCC3CCCC3)CC[C@@H]2C1 ZINC001479673673 1392313885 /nfs/dbraw/zinc/31/38/85/1392313885.db2.gz SRXAJWDCVLMWBR-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCCC3CCCC3)CC[C@@H]2C1 ZINC001479673673 1392313889 /nfs/dbraw/zinc/31/38/89/1392313889.db2.gz SRXAJWDCVLMWBR-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CCCC3CCCC3)CC[C@@H]2C1 ZINC001479673673 1392313892 /nfs/dbraw/zinc/31/38/92/1392313892.db2.gz SRXAJWDCVLMWBR-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001480081214 1392570603 /nfs/dbraw/zinc/57/06/03/1392570603.db2.gz LBHCHYXHUSXBCM-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1Cl ZINC001480142141 1392599553 /nfs/dbraw/zinc/59/95/53/1392599553.db2.gz LWYLKGLEPMHXPJ-RBSFLKMASA-N 2 1 349.906 3.122 20 0 EGADMP C[N@@H+](CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1)C1CCC1 ZINC001480179411 1392611501 /nfs/dbraw/zinc/61/15/01/1392611501.db2.gz HYUIYIZLTUDQRJ-CTXDPNEZSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1)C1CCC1 ZINC001480179411 1392611536 /nfs/dbraw/zinc/61/15/36/1392611536.db2.gz HYUIYIZLTUDQRJ-CTXDPNEZSA-N 2 1 347.547 3.163 20 0 EGADMP C[NH+](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1)C1CCC1 ZINC001480179411 1392611540 /nfs/dbraw/zinc/61/15/40/1392611540.db2.gz HYUIYIZLTUDQRJ-CTXDPNEZSA-N 2 1 347.547 3.163 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001480265956 1392650022 /nfs/dbraw/zinc/65/00/22/1392650022.db2.gz TUTBQUNNFBGRCR-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001480265956 1392650023 /nfs/dbraw/zinc/65/00/23/1392650023.db2.gz TUTBQUNNFBGRCR-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001480265956 1392650024 /nfs/dbraw/zinc/65/00/24/1392650024.db2.gz TUTBQUNNFBGRCR-DLBZAZTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([C@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001481339411 1393167449 /nfs/dbraw/zinc/16/74/49/1393167449.db2.gz KNPZWBGXUGYKSF-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[NH2+]C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CCCCC1 ZINC001698882687 1406613603 /nfs/dbraw/zinc/61/36/03/1406613603.db2.gz HFJOLECEKPMXJH-SFHVURJKSA-N 2 1 339.568 3.275 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001490456694 1394234238 /nfs/dbraw/zinc/23/42/38/1394234238.db2.gz RFCWMRWHAJRROM-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001490456694 1394234245 /nfs/dbraw/zinc/23/42/45/1394234245.db2.gz RFCWMRWHAJRROM-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001490456694 1394234251 /nfs/dbraw/zinc/23/42/51/1394234251.db2.gz RFCWMRWHAJRROM-FQEVSTJZSA-N 2 1 345.531 3.116 20 0 EGADMP C[N@@H+](CCC1CCCC1)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001698952964 1406695976 /nfs/dbraw/zinc/69/59/76/1406695976.db2.gz IRJPPHJRDUQAQT-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCC1)CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001698952964 1406695981 /nfs/dbraw/zinc/69/59/81/1406695981.db2.gz IRJPPHJRDUQAQT-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCC1CCCC1)CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001698952964 1406695982 /nfs/dbraw/zinc/69/59/82/1406695982.db2.gz IRJPPHJRDUQAQT-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001481539358 1394401447 /nfs/dbraw/zinc/40/14/47/1394401447.db2.gz CTTMVLVYCLEVAD-QUCCMNQESA-N 2 1 343.515 3.204 20 0 EGADMP C[N@@H+](CC(=O)NC[C@H]1CCC[NH+](CC2CCCCCC2)C1)C1CCC1 ZINC001491109954 1394431442 /nfs/dbraw/zinc/43/14/42/1394431442.db2.gz OJOJHALLMAWMQH-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCC[N@H+](CC2CCCCCC2)C1)C1CCC1 ZINC001491109954 1394431444 /nfs/dbraw/zinc/43/14/44/1394431444.db2.gz OJOJHALLMAWMQH-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](CC(=O)NC[C@H]1CCC[N@@H+](CC2CCCCCC2)C1)C1CCC1 ZINC001491109954 1394431446 /nfs/dbraw/zinc/43/14/46/1394431446.db2.gz OJOJHALLMAWMQH-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCc1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)[C@@H](CC)[NH+](C)C)c1 ZINC001491230864 1394485955 /nfs/dbraw/zinc/48/59/55/1394485955.db2.gz QMNQBSOFLHBRKO-VQTJNVASSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C)CC[NH+](Cc2ccccc2CC)CC1 ZINC001483974707 1395170524 /nfs/dbraw/zinc/17/05/24/1395170524.db2.gz ONDLXHIPSMYYBL-UHFFFAOYSA-N 2 1 345.531 3.062 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[C@@](C)(C[NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001484106439 1395254435 /nfs/dbraw/zinc/25/44/35/1395254435.db2.gz HEPDGBCORGRVBD-NRFANRHFSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH+](C)CCC1CCCC1 ZINC001484769161 1395526280 /nfs/dbraw/zinc/52/62/80/1395526280.db2.gz OYNZPAGRNCYJRD-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CCC[N@H+](C)CCC1CCCC1 ZINC001484769161 1395526285 /nfs/dbraw/zinc/52/62/85/1395526285.db2.gz OYNZPAGRNCYJRD-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CCC1CCCC1 ZINC001484769161 1395526287 /nfs/dbraw/zinc/52/62/87/1395526287.db2.gz OYNZPAGRNCYJRD-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1ccccc1 ZINC001698989034 1406775821 /nfs/dbraw/zinc/77/58/21/1406775821.db2.gz GRKJUPBHAWRBMX-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)[C@H](C)c1ccccc1 ZINC001698989034 1406775827 /nfs/dbraw/zinc/77/58/27/1406775827.db2.gz GRKJUPBHAWRBMX-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccccc1 ZINC001698989034 1406775829 /nfs/dbraw/zinc/77/58/29/1406775829.db2.gz GRKJUPBHAWRBMX-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CCCC(C)(C)C ZINC001698991764 1406783098 /nfs/dbraw/zinc/78/30/98/1406783098.db2.gz ZZDXNUBONJMKJK-GOSISDBHSA-N 2 1 339.568 3.323 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)CCCC(C)(C)C ZINC001698991764 1406783103 /nfs/dbraw/zinc/78/31/03/1406783103.db2.gz ZZDXNUBONJMKJK-GOSISDBHSA-N 2 1 339.568 3.323 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CCCC(C)(C)C ZINC001698991764 1406783107 /nfs/dbraw/zinc/78/31/07/1406783107.db2.gz ZZDXNUBONJMKJK-GOSISDBHSA-N 2 1 339.568 3.323 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)CC[NH+]2CCCCC2)cc1C ZINC001485387076 1395874854 /nfs/dbraw/zinc/87/48/54/1395874854.db2.gz CPRJXJXNFKVRID-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCCCC1 ZINC001485484729 1395970974 /nfs/dbraw/zinc/97/09/74/1395970974.db2.gz KKIHYPUVQXMCED-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCCCC1 ZINC001485484729 1395970979 /nfs/dbraw/zinc/97/09/79/1395970979.db2.gz KKIHYPUVQXMCED-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCC[NH+]1Cc1ccc(F)cc1 ZINC001485485484 1395971449 /nfs/dbraw/zinc/97/14/49/1395971449.db2.gz QWDCNOACWKNRCY-IBGZPJMESA-N 2 1 349.494 3.028 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001486185378 1396181280 /nfs/dbraw/zinc/18/12/80/1396181280.db2.gz AIBSYAJTUZDQHY-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC001502999388 1396239022 /nfs/dbraw/zinc/23/90/22/1396239022.db2.gz APAYVNXGRWBBCJ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC001502999388 1396239024 /nfs/dbraw/zinc/23/90/24/1396239024.db2.gz APAYVNXGRWBBCJ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC001502999388 1396239027 /nfs/dbraw/zinc/23/90/27/1396239027.db2.gz APAYVNXGRWBBCJ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@H]21 ZINC001699008413 1406834354 /nfs/dbraw/zinc/83/43/54/1406834354.db2.gz IVOZULYAMQBNQA-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)CC[C@H]21 ZINC001699008413 1406834358 /nfs/dbraw/zinc/83/43/58/1406834358.db2.gz IVOZULYAMQBNQA-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)CC[C@H]21 ZINC001699008413 1406834365 /nfs/dbraw/zinc/83/43/65/1406834365.db2.gz IVOZULYAMQBNQA-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CCc1cccc(C[N@@H+](C)CCN(C)C(=O)CC[NH+]2CCCCC2)c1 ZINC001699011433 1406841572 /nfs/dbraw/zinc/84/15/72/1406841572.db2.gz ZFBHMQKWJUPHLS-UHFFFAOYSA-N 2 1 345.531 3.015 20 0 EGADMP C[C@@H](CC[NH2+][C@@H](C)c1ccccc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001497268317 1396741027 /nfs/dbraw/zinc/74/10/27/1396741027.db2.gz LKZGGISLQTYGPK-IRXDYDNUSA-N 2 1 333.520 3.210 20 0 EGADMP CCCN(C(=O)CCCn1cc[nH+]c1C)C1CC[NH+](CC2CC2)CC1 ZINC001690138643 1404336659 /nfs/dbraw/zinc/33/66/59/1404336659.db2.gz KORYPFXNFFAFEL-UHFFFAOYSA-N 2 1 346.519 3.085 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001690392517 1404534081 /nfs/dbraw/zinc/53/40/81/1404534081.db2.gz ZOSSZHUECRYURN-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001690392517 1404534083 /nfs/dbraw/zinc/53/40/83/1404534083.db2.gz ZOSSZHUECRYURN-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001690392517 1404534087 /nfs/dbraw/zinc/53/40/87/1404534087.db2.gz ZOSSZHUECRYURN-SJORKVTESA-N 2 1 349.494 3.057 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001690504602 1404616785 /nfs/dbraw/zinc/61/67/85/1404616785.db2.gz GCGTXUKTXZJNMC-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001690504602 1404616786 /nfs/dbraw/zinc/61/67/86/1404616786.db2.gz GCGTXUKTXZJNMC-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC001690504602 1404616788 /nfs/dbraw/zinc/61/67/88/1404616788.db2.gz GCGTXUKTXZJNMC-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001725186961 1425720268 /nfs/dbraw/zinc/72/02/68/1425720268.db2.gz FYLATRKTONILQY-IRXDYDNUSA-N 2 1 345.531 3.015 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001725186961 1425720272 /nfs/dbraw/zinc/72/02/72/1425720272.db2.gz FYLATRKTONILQY-IRXDYDNUSA-N 2 1 345.531 3.015 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001725186961 1425720275 /nfs/dbraw/zinc/72/02/75/1425720275.db2.gz FYLATRKTONILQY-IRXDYDNUSA-N 2 1 345.531 3.015 20 0 EGADMP C[C@H](c1ccccc1F)[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001690819064 1404755050 /nfs/dbraw/zinc/75/50/50/1404755050.db2.gz SXJWXIBNSUGBPZ-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001691000314 1404916718 /nfs/dbraw/zinc/91/67/18/1404916718.db2.gz BTVWILNKZBFKBE-OALUTQOASA-N 2 1 349.494 3.199 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001691203243 1405143001 /nfs/dbraw/zinc/14/30/01/1405143001.db2.gz RJLBFFNXOJOCRG-KBXCAEBGSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001691203243 1405143003 /nfs/dbraw/zinc/14/30/03/1405143003.db2.gz RJLBFFNXOJOCRG-KBXCAEBGSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001691203244 1405143394 /nfs/dbraw/zinc/14/33/94/1405143394.db2.gz RJLBFFNXOJOCRG-KDOFPFPSSA-N 2 1 349.906 3.076 20 0 EGADMP C[C@H](c1cccc(Cl)c1)[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001691203244 1405143398 /nfs/dbraw/zinc/14/33/98/1405143398.db2.gz RJLBFFNXOJOCRG-KDOFPFPSSA-N 2 1 349.906 3.076 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC1CCC1 ZINC001691402153 1405239408 /nfs/dbraw/zinc/23/94/08/1405239408.db2.gz GVYXKHCTLYOZCM-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCC1 ZINC001691402153 1405239410 /nfs/dbraw/zinc/23/94/10/1405239410.db2.gz GVYXKHCTLYOZCM-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CCCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@@H+](CCC)C1 ZINC001691865035 1405584800 /nfs/dbraw/zinc/58/48/00/1405584800.db2.gz YUCOTLNTYDKRFF-HXUWFJFHSA-N 2 1 345.531 3.127 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001691898447 1405620531 /nfs/dbraw/zinc/62/05/31/1405620531.db2.gz PRWISWOPFXSYDP-MOPGFXCFSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@H](c1ccccc1)[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001731803294 1427970261 /nfs/dbraw/zinc/97/02/61/1427970261.db2.gz JVTONOWBKRKYOQ-UXHICEINSA-N 2 1 345.531 3.449 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001731803294 1427970264 /nfs/dbraw/zinc/97/02/64/1427970264.db2.gz JVTONOWBKRKYOQ-UXHICEINSA-N 2 1 345.531 3.449 20 0 EGADMP CC[C@H](c1ccccc1)[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001731803294 1427970267 /nfs/dbraw/zinc/97/02/67/1427970267.db2.gz JVTONOWBKRKYOQ-UXHICEINSA-N 2 1 345.531 3.449 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@H]1CC[NH+]([C@H](C)c2ccccc2C)C1 ZINC001732059002 1428305483 /nfs/dbraw/zinc/30/54/83/1428305483.db2.gz KYBYUWWDWRVSEP-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC001732059002 1428305485 /nfs/dbraw/zinc/30/54/85/1428305485.db2.gz KYBYUWWDWRVSEP-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001732059002 1428305488 /nfs/dbraw/zinc/30/54/88/1428305488.db2.gz KYBYUWWDWRVSEP-MOPGFXCFSA-N 2 1 345.531 3.226 20 0 EGADMP CCCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001732075084 1428326298 /nfs/dbraw/zinc/32/62/98/1428326298.db2.gz NCPCQFQMSNMMQT-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1)[NH+](CC)CC ZINC001732154614 1428398059 /nfs/dbraw/zinc/39/80/59/1428398059.db2.gz YRCHSTCLFPBBER-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2C(C)C)C1 ZINC001732171539 1428416106 /nfs/dbraw/zinc/41/61/06/1428416106.db2.gz SDPWUGZOXIAVER-IBGZPJMESA-N 2 1 345.531 3.185 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2C(C)C)C1 ZINC001732171539 1428416108 /nfs/dbraw/zinc/41/61/08/1428416108.db2.gz SDPWUGZOXIAVER-IBGZPJMESA-N 2 1 345.531 3.185 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2C(C)C)C1 ZINC001732171539 1428416111 /nfs/dbraw/zinc/41/61/11/1428416111.db2.gz SDPWUGZOXIAVER-IBGZPJMESA-N 2 1 345.531 3.185 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001699579860 1412935674 /nfs/dbraw/zinc/93/56/74/1412935674.db2.gz TXDBQTRENGWQOQ-OXQOHEQNSA-N 2 1 343.515 3.025 20 0 EGADMP CC(C)C[N@@H+](C)CCC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001732550581 1428731974 /nfs/dbraw/zinc/73/19/74/1428731974.db2.gz WSKFULPBNQAQGN-UHFFFAOYSA-N 2 1 339.568 3.181 20 0 EGADMP CC(C)C[NH+](C)CCC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001732550581 1428731976 /nfs/dbraw/zinc/73/19/76/1428731976.db2.gz WSKFULPBNQAQGN-UHFFFAOYSA-N 2 1 339.568 3.181 20 0 EGADMP CC(C)C[NH+](C)CCC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001732550581 1428731980 /nfs/dbraw/zinc/73/19/80/1428731980.db2.gz WSKFULPBNQAQGN-UHFFFAOYSA-N 2 1 339.568 3.181 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1CCC[NH+](CCC2CC2)CC1)C1CCCCC1 ZINC001700177729 1413587197 /nfs/dbraw/zinc/58/71/97/1413587197.db2.gz RYQGCSRPXLYYKK-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)N[C@H]1CCC[N@H+](CCC2CC2)CC1)C1CCCCC1 ZINC001700177729 1413587202 /nfs/dbraw/zinc/58/72/02/1413587202.db2.gz RYQGCSRPXLYYKK-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+](CCC(=O)N[C@H]1CCC[N@@H+](CCC2CC2)CC1)C1CCCCC1 ZINC001700177729 1413587204 /nfs/dbraw/zinc/58/72/04/1413587204.db2.gz RYQGCSRPXLYYKK-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2C)CC1)[NH+](C)C ZINC001700180694 1413593378 /nfs/dbraw/zinc/59/33/78/1413593378.db2.gz GSQRVCQARIWTNH-UXHICEINSA-N 2 1 345.531 3.114 20 0 EGADMP CC(C)c1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001732584429 1428794739 /nfs/dbraw/zinc/79/47/39/1428794739.db2.gz TWTYEUDLSUTFNR-HXUWFJFHSA-N 2 1 345.531 3.185 20 0 EGADMP CC(C)c1ccccc1C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001732584429 1428794742 /nfs/dbraw/zinc/79/47/42/1428794742.db2.gz TWTYEUDLSUTFNR-HXUWFJFHSA-N 2 1 345.531 3.185 20 0 EGADMP CC(C)c1ccccc1C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001732584429 1428794744 /nfs/dbraw/zinc/79/47/44/1428794744.db2.gz TWTYEUDLSUTFNR-HXUWFJFHSA-N 2 1 345.531 3.185 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)CCCC2CCCC2)CC1 ZINC001700697981 1414357739 /nfs/dbraw/zinc/35/77/39/1414357739.db2.gz OJSLYROHVJMIAY-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@H+](C)CCCC2CCCC2)CC1 ZINC001700697981 1414357741 /nfs/dbraw/zinc/35/77/41/1414357741.db2.gz OJSLYROHVJMIAY-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](C)CCCC2CCCC2)CC1 ZINC001700697981 1414357747 /nfs/dbraw/zinc/35/77/47/1414357747.db2.gz OJSLYROHVJMIAY-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CC2CCC2)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001700844553 1414493719 /nfs/dbraw/zinc/49/37/19/1414493719.db2.gz WOYOFUZWHNTLKC-AEFFLSMTSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(CC)cc2)C[C@H]1C ZINC001700852352 1414500103 /nfs/dbraw/zinc/50/01/03/1414500103.db2.gz VQPJYCPUWVFUBZ-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001733012688 1429131864 /nfs/dbraw/zinc/13/18/64/1429131864.db2.gz BBHLYSUZBFGJJL-DLBZAZTESA-N 2 1 342.487 3.170 20 0 EGADMP C[C@H]1CC2(CN1C(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+](CC1CC1)CC2 ZINC001707125474 1417211583 /nfs/dbraw/zinc/21/15/83/1417211583.db2.gz RJZGKDTYJUYPIT-KRWDZBQOSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H]1CCC[C@H](CC[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+](C)C)C1 ZINC001713142670 1417724885 /nfs/dbraw/zinc/72/48/85/1417724885.db2.gz CWPPGBAPJHPZEI-ZGXWSNOMSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001713219217 1417799577 /nfs/dbraw/zinc/79/95/77/1417799577.db2.gz LFGNCZDVYPVPCN-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001713254464 1417851835 /nfs/dbraw/zinc/85/18/35/1417851835.db2.gz RMFYEYCAPDRCPU-LJQANCHMSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001713254464 1417851837 /nfs/dbraw/zinc/85/18/37/1417851837.db2.gz RMFYEYCAPDRCPU-LJQANCHMSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001713254464 1417851845 /nfs/dbraw/zinc/85/18/45/1417851845.db2.gz RMFYEYCAPDRCPU-LJQANCHMSA-N 2 1 337.552 3.412 20 0 EGADMP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001713278054 1417900462 /nfs/dbraw/zinc/90/04/62/1417900462.db2.gz QJJDIZMCSANNHW-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001713355863 1417972545 /nfs/dbraw/zinc/97/25/45/1417972545.db2.gz QXKUTESMIAOXFY-MSOLQXFVSA-N 2 1 348.535 3.127 20 0 EGADMP CC(C)c1ccccc1C[N@@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001713469694 1418136180 /nfs/dbraw/zinc/13/61/80/1418136180.db2.gz WLVDXCLIWWDWGF-UHFFFAOYSA-N 2 1 345.531 3.090 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(CC)cc1 ZINC001713548165 1418322615 /nfs/dbraw/zinc/32/26/15/1418322615.db2.gz XRSIJTUXFDFIMI-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1ccc(CC)cc1 ZINC001713548165 1418322617 /nfs/dbraw/zinc/32/26/17/1418322617.db2.gz XRSIJTUXFDFIMI-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1ccc(CC)cc1 ZINC001713548165 1418322620 /nfs/dbraw/zinc/32/26/20/1418322620.db2.gz XRSIJTUXFDFIMI-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP C[NH+]1CCC(CC(=O)NCC[C@H]2CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001713739864 1418539546 /nfs/dbraw/zinc/53/95/46/1418539546.db2.gz YLPOEZHCFJPELB-FQEVSTJZSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)C[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001713753776 1418555968 /nfs/dbraw/zinc/55/59/68/1418555968.db2.gz SSPLFBIGBJGMIP-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[NH+](C)C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001713753776 1418555969 /nfs/dbraw/zinc/55/59/69/1418555969.db2.gz SSPLFBIGBJGMIP-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001713753776 1418555971 /nfs/dbraw/zinc/55/59/71/1418555971.db2.gz SSPLFBIGBJGMIP-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CCc1ccccc1C[NH+]1CCC(N(C)C(=O)CC[N@H+](C)CC)CC1 ZINC001713784547 1418601342 /nfs/dbraw/zinc/60/13/42/1418601342.db2.gz YOGIOZDOVFPFOO-UHFFFAOYSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001713835401 1418633810 /nfs/dbraw/zinc/63/38/10/1418633810.db2.gz VOCOJWVZHQOUNX-FXAWDEMLSA-N 2 1 345.531 3.403 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001713835401 1418633820 /nfs/dbraw/zinc/63/38/20/1418633820.db2.gz VOCOJWVZHQOUNX-FXAWDEMLSA-N 2 1 345.531 3.403 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001713835401 1418633827 /nfs/dbraw/zinc/63/38/27/1418633827.db2.gz VOCOJWVZHQOUNX-FXAWDEMLSA-N 2 1 345.531 3.403 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713838125 1418635584 /nfs/dbraw/zinc/63/55/84/1418635584.db2.gz ZOBPXKCIPKLGMB-YLJYHZDGSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001713838125 1418635586 /nfs/dbraw/zinc/63/55/86/1418635586.db2.gz ZOBPXKCIPKLGMB-YLJYHZDGSA-N 2 1 349.563 3.266 20 0 EGADMP CCN(C(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001714044720 1418837764 /nfs/dbraw/zinc/83/77/64/1418837764.db2.gz BNKOPNSBXIPJCF-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)CC[N@H+](C)C1CCCCC1)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001714044720 1418837766 /nfs/dbraw/zinc/83/77/66/1418837766.db2.gz BNKOPNSBXIPJCF-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001714044720 1418837769 /nfs/dbraw/zinc/83/77/69/1418837769.db2.gz BNKOPNSBXIPJCF-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001714050519 1418849741 /nfs/dbraw/zinc/84/97/41/1418849741.db2.gz YVWSMLBLZCEBBQ-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC001714050519 1418849743 /nfs/dbraw/zinc/84/97/43/1418849743.db2.gz YVWSMLBLZCEBBQ-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001714050519 1418849744 /nfs/dbraw/zinc/84/97/44/1418849744.db2.gz YVWSMLBLZCEBBQ-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2ccc(C)cc2)C1 ZINC001714455499 1419187905 /nfs/dbraw/zinc/18/79/05/1419187905.db2.gz XEEMWSJHIRUUDH-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C)cc2)C1 ZINC001714455499 1419187906 /nfs/dbraw/zinc/18/79/06/1419187906.db2.gz XEEMWSJHIRUUDH-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C)cc2)C1 ZINC001714455499 1419187910 /nfs/dbraw/zinc/18/79/10/1419187910.db2.gz XEEMWSJHIRUUDH-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP C[N@H+](C/C=C/c1ccccc1)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714541702 1419267381 /nfs/dbraw/zinc/26/73/81/1419267381.db2.gz AUDWPPUBPNGCAH-JLHYYAGUSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)CCc1ccc(C(=O)NC2C[NH+](CCCC(C)(C)C)C2)cc1 ZINC001714946106 1419689322 /nfs/dbraw/zinc/68/93/22/1419689322.db2.gz JQBPSNZKBUYMQV-UHFFFAOYSA-N 2 1 345.531 3.031 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001715005231 1419735204 /nfs/dbraw/zinc/73/52/04/1419735204.db2.gz YQGICAPQGFHDOK-DBVUQKKJSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)[C@H](C)C1 ZINC001715098251 1419838930 /nfs/dbraw/zinc/83/89/30/1419838930.db2.gz LJPNTMZAAVNBAP-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+](CCCC1CCC1)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001715497892 1420179564 /nfs/dbraw/zinc/17/95/64/1420179564.db2.gz IWJQWDRMJFUAJR-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCCC1CCC1)CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001715497892 1420179565 /nfs/dbraw/zinc/17/95/65/1420179565.db2.gz IWJQWDRMJFUAJR-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCCC1CCC1)CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001715497892 1420179567 /nfs/dbraw/zinc/17/95/67/1420179567.db2.gz IWJQWDRMJFUAJR-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001715501228 1420184042 /nfs/dbraw/zinc/18/40/42/1420184042.db2.gz JMIHCFWNIOLEAC-ZWKOTPCHSA-N 2 1 337.552 3.027 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001715950751 1420417729 /nfs/dbraw/zinc/41/77/29/1420417729.db2.gz WWZVGJNSYQJKGC-SJORKVTESA-N 2 1 333.520 3.128 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001716730606 1420888706 /nfs/dbraw/zinc/88/87/06/1420888706.db2.gz ATIPTTDECXMXFM-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]C(C)C)CC1)c1ccccc1 ZINC001717125222 1421127450 /nfs/dbraw/zinc/12/74/50/1421127450.db2.gz GHKDAIHBNDLYET-IHPCNDPISA-N 2 1 345.531 3.352 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001717202201 1421170200 /nfs/dbraw/zinc/17/02/00/1421170200.db2.gz OMLUNAHDIQVGCV-ICSRJNTNSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001717202201 1421170203 /nfs/dbraw/zinc/17/02/03/1421170203.db2.gz OMLUNAHDIQVGCV-ICSRJNTNSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001717202201 1421170204 /nfs/dbraw/zinc/17/02/04/1421170204.db2.gz OMLUNAHDIQVGCV-ICSRJNTNSA-N 2 1 345.531 3.369 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+](C)CCCN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001717211200 1421185044 /nfs/dbraw/zinc/18/50/44/1421185044.db2.gz ICAPDNGPIPWWSQ-GOSISDBHSA-N 2 1 345.531 3.178 20 0 EGADMP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001717454203 1421383987 /nfs/dbraw/zinc/38/39/87/1421383987.db2.gz RXPPAPNZRAZKDJ-PKOBYXMFSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC001717485959 1421422580 /nfs/dbraw/zinc/42/25/80/1421422580.db2.gz WYGUFGIFWMIGFZ-HUUCEWRRSA-N 2 1 339.911 3.179 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC001717559817 1421495681 /nfs/dbraw/zinc/49/56/81/1421495681.db2.gz URZUQZCLRTYFOY-INIZCTEOSA-N 2 1 346.519 3.023 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)[C@@H]1C ZINC001717803140 1421630783 /nfs/dbraw/zinc/63/07/83/1421630783.db2.gz STROVQDONJLVNW-AZUAARDMSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2CC)[C@H]1C ZINC001717860195 1421672632 /nfs/dbraw/zinc/67/26/32/1421672632.db2.gz IERBHYXZMHHZMS-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2CC)[C@H]1C ZINC001717860195 1421672634 /nfs/dbraw/zinc/67/26/34/1421672634.db2.gz IERBHYXZMHHZMS-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2CC)[C@H]1C ZINC001717860195 1421672636 /nfs/dbraw/zinc/67/26/36/1421672636.db2.gz IERBHYXZMHHZMS-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1)C1CCC1 ZINC001717873547 1421681450 /nfs/dbraw/zinc/68/14/50/1421681450.db2.gz RXXAXDQQVUFDIR-MOPGFXCFSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C1CC([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001717998712 1421765995 /nfs/dbraw/zinc/76/59/95/1421765995.db2.gz HRMMPSITRFPSTA-ACBHZAAOSA-N 2 1 331.504 3.059 20 0 EGADMP CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H](C)C2)cc1 ZINC001723876104 1424595000 /nfs/dbraw/zinc/59/50/00/1424595000.db2.gz PVODMBJCKYFFPA-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C2)cc1 ZINC001724174477 1424708777 /nfs/dbraw/zinc/70/87/77/1424708777.db2.gz QPMNFRSISRKIMS-OAQYLSRUSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C2)cc1 ZINC001724174477 1424708782 /nfs/dbraw/zinc/70/87/82/1424708782.db2.gz QPMNFRSISRKIMS-OAQYLSRUSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C2)cc1 ZINC001724174477 1424708788 /nfs/dbraw/zinc/70/87/88/1424708788.db2.gz QPMNFRSISRKIMS-OAQYLSRUSA-N 2 1 345.531 3.054 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@]1(C)CCC[N@H+](CCC2CC2)C1 ZINC001724334631 1424829919 /nfs/dbraw/zinc/82/99/19/1424829919.db2.gz UQIRKKOEDXLORV-HXUWFJFHSA-N 2 1 346.519 3.025 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@]1(C)CCC[N@@H+](CCC2CC2)C1 ZINC001724334631 1424829925 /nfs/dbraw/zinc/82/99/25/1424829925.db2.gz UQIRKKOEDXLORV-HXUWFJFHSA-N 2 1 346.519 3.025 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001724853414 1425219419 /nfs/dbraw/zinc/21/94/19/1425219419.db2.gz USKJBAUTCYALCS-UHFFFAOYSA-N 2 1 345.531 3.068 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)[C@H](C)c1ccccc1 ZINC001724853027 1425219761 /nfs/dbraw/zinc/21/97/61/1425219761.db2.gz SMYQGRCPOKFABY-QUCCMNQESA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)[C@H](C)c1ccccc1 ZINC001724853027 1425219762 /nfs/dbraw/zinc/21/97/62/1425219762.db2.gz SMYQGRCPOKFABY-QUCCMNQESA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)[C@H](C)c1ccccc1 ZINC001724853027 1425219764 /nfs/dbraw/zinc/21/97/64/1425219764.db2.gz SMYQGRCPOKFABY-QUCCMNQESA-N 2 1 345.531 3.402 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)CCC[N@@H+](C)[C@H](C)c1ccccc1C ZINC001724860343 1425242908 /nfs/dbraw/zinc/24/29/08/1425242908.db2.gz NCMDGIZUHFOVRC-QGZVFWFLSA-N 2 1 342.487 3.041 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)CCC[N@H+](C)[C@H](C)c1ccccc1C ZINC001724860343 1425242912 /nfs/dbraw/zinc/24/29/12/1425242912.db2.gz NCMDGIZUHFOVRC-QGZVFWFLSA-N 2 1 342.487 3.041 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CCCC1CCCC1 ZINC001724991465 1425394797 /nfs/dbraw/zinc/39/47/97/1425394797.db2.gz HICYURVZYXPHGP-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CCCC1CCCC1 ZINC001724991465 1425394805 /nfs/dbraw/zinc/39/48/05/1425394805.db2.gz HICYURVZYXPHGP-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CCCC1CCCC1 ZINC001724991465 1425394815 /nfs/dbraw/zinc/39/48/15/1425394815.db2.gz HICYURVZYXPHGP-HKUYNNGSSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2F)[C@H](C)C1 ZINC001725002647 1425412193 /nfs/dbraw/zinc/41/21/93/1425412193.db2.gz LMQGBFPWRUXSTK-SJLPKXTDSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2F)[C@H](C)C1 ZINC001725002647 1425412196 /nfs/dbraw/zinc/41/21/96/1425412196.db2.gz LMQGBFPWRUXSTK-SJLPKXTDSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2F)[C@H](C)C1 ZINC001725002647 1425412199 /nfs/dbraw/zinc/41/21/99/1425412199.db2.gz LMQGBFPWRUXSTK-SJLPKXTDSA-N 2 1 349.494 3.027 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]1C[N@@H+](C)CCCC(C)(C)C)C1CCC1 ZINC001725044744 1425473076 /nfs/dbraw/zinc/47/30/76/1425473076.db2.gz ZDKJYMRJYIKXBB-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCCC(C)(C)C)C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001725044744 1425473081 /nfs/dbraw/zinc/47/30/81/1425473081.db2.gz ZDKJYMRJYIKXBB-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP C[NH+](CCCC(C)(C)C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001725044744 1425473086 /nfs/dbraw/zinc/47/30/86/1425473086.db2.gz ZDKJYMRJYIKXBB-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)Cc1cccc(CC)c1 ZINC001725054415 1425489302 /nfs/dbraw/zinc/48/93/02/1425489302.db2.gz VXOAGXRZSAYIDD-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1cccc(CC)c1 ZINC001725054415 1425489304 /nfs/dbraw/zinc/48/93/04/1425489304.db2.gz VXOAGXRZSAYIDD-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cccc(CC)c1 ZINC001725054415 1425489306 /nfs/dbraw/zinc/48/93/06/1425489306.db2.gz VXOAGXRZSAYIDD-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001725151552 1425636682 /nfs/dbraw/zinc/63/66/82/1425636682.db2.gz VWLDNQJYGZJZSE-ZWKOTPCHSA-N 2 1 345.531 3.164 20 0 EGADMP CC1CC(C[N@H+]2CCCCC[C@H]2CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001725243368 1425855306 /nfs/dbraw/zinc/85/53/06/1425855306.db2.gz SXOVDXAGKRXOPB-UUKMXZOPSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001731560328 1427594906 /nfs/dbraw/zinc/59/49/06/1427594906.db2.gz VOZCQXGCYMDYGS-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC001731560328 1427594912 /nfs/dbraw/zinc/59/49/12/1427594912.db2.gz VOZCQXGCYMDYGS-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001731560328 1427594915 /nfs/dbraw/zinc/59/49/15/1427594915.db2.gz VOZCQXGCYMDYGS-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001731729856 1427804794 /nfs/dbraw/zinc/80/47/94/1427804794.db2.gz VZLZPMCURNQMLL-SJORKVTESA-N 2 1 331.504 3.025 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)c1cccc(F)c1 ZINC001731864192 1428108245 /nfs/dbraw/zinc/10/82/45/1428108245.db2.gz GYJWVAMLCZKXMT-FRQCXROJSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H](C)c1cccc(F)c1 ZINC001731864192 1428108249 /nfs/dbraw/zinc/10/82/49/1428108249.db2.gz GYJWVAMLCZKXMT-FRQCXROJSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H](C)c1cccc(F)c1 ZINC001731864192 1428108252 /nfs/dbraw/zinc/10/82/52/1428108252.db2.gz GYJWVAMLCZKXMT-FRQCXROJSA-N 2 1 349.494 3.055 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC(C)(C)CC2)CCC1 ZINC001733717786 1429937294 /nfs/dbraw/zinc/93/72/94/1429937294.db2.gz BUUYXWKGZFDQMF-GOSISDBHSA-N 2 1 349.563 3.316 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001733783157 1430051493 /nfs/dbraw/zinc/05/14/93/1430051493.db2.gz WPYQHTZKFCMTLG-MOPGFXCFSA-N 2 1 337.552 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)Cc1ccc(C)cc1C ZINC001733938075 1437752864 /nfs/dbraw/zinc/75/28/64/1437752864.db2.gz MXHSEJKUFLAKIQ-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C)cc1C ZINC001733938075 1437752867 /nfs/dbraw/zinc/75/28/67/1437752867.db2.gz MXHSEJKUFLAKIQ-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C)cc1C ZINC001733938075 1437752868 /nfs/dbraw/zinc/75/28/68/1437752868.db2.gz MXHSEJKUFLAKIQ-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)CCC)[C@H]2C)cc1 ZINC001734405501 1438084427 /nfs/dbraw/zinc/08/44/27/1438084427.db2.gz PMNNMXPJGFBIRU-FXAWDEMLSA-N 2 1 345.531 3.060 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)[C@@H]1C ZINC001734462454 1438119254 /nfs/dbraw/zinc/11/92/54/1438119254.db2.gz VUBYPTLCTBJGAL-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)[C@@H]1C ZINC001734462454 1438119255 /nfs/dbraw/zinc/11/92/55/1438119255.db2.gz VUBYPTLCTBJGAL-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)[C@@H]1C ZINC001734462454 1438119256 /nfs/dbraw/zinc/11/92/56/1438119256.db2.gz VUBYPTLCTBJGAL-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1cccc(C)c1 ZINC001752229108 1440158017 /nfs/dbraw/zinc/15/80/17/1440158017.db2.gz HRAMMRXUYQFQJB-RTBURBONSA-N 2 1 345.531 3.196 20 0 EGADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001752426773 1440177260 /nfs/dbraw/zinc/17/72/60/1440177260.db2.gz LCTBTQZUQLWVBT-SFHVURJKSA-N 2 1 347.547 3.020 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001752508334 1440189975 /nfs/dbraw/zinc/18/99/75/1440189975.db2.gz QVXHNUMIZSZJPJ-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001752508334 1440189976 /nfs/dbraw/zinc/18/99/76/1440189976.db2.gz QVXHNUMIZSZJPJ-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001752508334 1440189977 /nfs/dbraw/zinc/18/99/77/1440189977.db2.gz QVXHNUMIZSZJPJ-RTBURBONSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001752528502 1440193715 /nfs/dbraw/zinc/19/37/15/1440193715.db2.gz SUCVYJHOYPJFAD-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C1)Cc1ccccc1 ZINC001752691374 1440200608 /nfs/dbraw/zinc/20/06/08/1440200608.db2.gz IWUPSUMOBATZTJ-WGSAOQKQSA-N 2 1 345.531 3.182 20 0 EGADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C1)Cc1ccccc1 ZINC001752691374 1440200609 /nfs/dbraw/zinc/20/06/09/1440200609.db2.gz IWUPSUMOBATZTJ-WGSAOQKQSA-N 2 1 345.531 3.182 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCC3CCCC3)CC[C@@H]21 ZINC001752706868 1440202833 /nfs/dbraw/zinc/20/28/33/1440202833.db2.gz KKQPLHFDEUJZFC-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]2C[N@H+](CCC3CCCC3)CC[C@@H]21 ZINC001752706868 1440202834 /nfs/dbraw/zinc/20/28/34/1440202834.db2.gz KKQPLHFDEUJZFC-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]2C[N@@H+](CCC3CCCC3)CC[C@@H]21 ZINC001752706868 1440202835 /nfs/dbraw/zinc/20/28/35/1440202835.db2.gz KKQPLHFDEUJZFC-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001752823126 1440221990 /nfs/dbraw/zinc/22/19/90/1440221990.db2.gz VZQJWEKZBVMJBB-MOPGFXCFSA-N 2 1 337.552 3.410 20 0 EGADMP CCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001752823126 1440221991 /nfs/dbraw/zinc/22/19/91/1440221991.db2.gz VZQJWEKZBVMJBB-MOPGFXCFSA-N 2 1 337.552 3.410 20 0 EGADMP CCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001752823126 1440221992 /nfs/dbraw/zinc/22/19/92/1440221992.db2.gz VZQJWEKZBVMJBB-MOPGFXCFSA-N 2 1 337.552 3.410 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001752823314 1440222114 /nfs/dbraw/zinc/22/21/14/1440222114.db2.gz ASEHGZROWVVQRZ-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCCC1 ZINC001752823314 1440222115 /nfs/dbraw/zinc/22/21/15/1440222115.db2.gz ASEHGZROWVVQRZ-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCCC1 ZINC001752823314 1440222116 /nfs/dbraw/zinc/22/21/16/1440222116.db2.gz ASEHGZROWVVQRZ-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001752825915 1440223458 /nfs/dbraw/zinc/22/34/58/1440223458.db2.gz BZAQWERLYALGFR-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001752825915 1440223459 /nfs/dbraw/zinc/22/34/59/1440223459.db2.gz BZAQWERLYALGFR-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@@H](C)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001752825915 1440223460 /nfs/dbraw/zinc/22/34/60/1440223460.db2.gz BZAQWERLYALGFR-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CC[C@@H](C)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001752825915 1440223461 /nfs/dbraw/zinc/22/34/61/1440223461.db2.gz BZAQWERLYALGFR-UYAOXDASSA-N 2 1 345.531 3.135 20 0 EGADMP CC/C=C/CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001752828236 1440224489 /nfs/dbraw/zinc/22/44/89/1440224489.db2.gz SQCXYGLEPITDKR-BGEOSOQGSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001752828236 1440224490 /nfs/dbraw/zinc/22/44/90/1440224490.db2.gz SQCXYGLEPITDKR-BGEOSOQGSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001752828236 1440224491 /nfs/dbraw/zinc/22/44/91/1440224491.db2.gz SQCXYGLEPITDKR-BGEOSOQGSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001752837326 1440228578 /nfs/dbraw/zinc/22/85/78/1440228578.db2.gz SCQYAQYRMGCYII-XSAZBNQGSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001752854318 1440234461 /nfs/dbraw/zinc/23/44/61/1440234461.db2.gz BIRQXZJRBYYDNO-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001752875672 1440238046 /nfs/dbraw/zinc/23/80/46/1440238046.db2.gz LRUBFUXIQCKKGH-JKSUJKDBSA-N 2 1 346.519 3.071 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001752983420 1440257543 /nfs/dbraw/zinc/25/75/43/1440257543.db2.gz KFFGLBBJONAUSU-UXHICEINSA-N 2 1 343.515 3.102 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001752983420 1440257544 /nfs/dbraw/zinc/25/75/44/1440257544.db2.gz KFFGLBBJONAUSU-UXHICEINSA-N 2 1 343.515 3.102 20 0 EGADMP CC1CC(C[N@@H+](C)[C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001753001046 1440264658 /nfs/dbraw/zinc/26/46/58/1440264658.db2.gz RUPZQWNFKLDBTR-SOAGJPPSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001753032637 1440273489 /nfs/dbraw/zinc/27/34/89/1440273489.db2.gz UEBVIJXTGJNANI-GOSISDBHSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[C@H]2CCC[NH+]2CC2CCC2)C1 ZINC001753034405 1440274102 /nfs/dbraw/zinc/27/41/02/1440274102.db2.gz HJTDSULRCONXOP-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCCC[C@H]2CCC[N@@H+]2CC2CCC2)C1 ZINC001753034405 1440274103 /nfs/dbraw/zinc/27/41/03/1440274103.db2.gz HJTDSULRCONXOP-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NCCC[C@H]2CCC[N@H+]2CC2CCC2)C1 ZINC001753034405 1440274104 /nfs/dbraw/zinc/27/41/04/1440274104.db2.gz HJTDSULRCONXOP-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H](C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCC1)[NH+]1CCCCCC1 ZINC001753036354 1440274848 /nfs/dbraw/zinc/27/48/48/1440274848.db2.gz WXNAVOWSUBZABW-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)c1ccccc1F ZINC001753086185 1440296341 /nfs/dbraw/zinc/29/63/41/1440296341.db2.gz HQUZMROPACRBAN-INIZCTEOSA-N 2 1 349.494 3.199 20 0 EGADMP CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)CCC1CCCCC1 ZINC001753086430 1440296683 /nfs/dbraw/zinc/29/66/83/1440296683.db2.gz QUPMYKDITQHTTD-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CC[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccc(C(C)C)cc1 ZINC001753092806 1440300149 /nfs/dbraw/zinc/30/01/49/1440300149.db2.gz IUAVIGUKGNSXGP-LJQANCHMSA-N 2 1 345.531 3.090 20 0 EGADMP CC[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1ccc(C(C)C)cc1 ZINC001753092806 1440300150 /nfs/dbraw/zinc/30/01/50/1440300150.db2.gz IUAVIGUKGNSXGP-LJQANCHMSA-N 2 1 345.531 3.090 20 0 EGADMP CC[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1ccc(C(C)C)cc1 ZINC001753092806 1440300151 /nfs/dbraw/zinc/30/01/51/1440300151.db2.gz IUAVIGUKGNSXGP-LJQANCHMSA-N 2 1 345.531 3.090 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001753105856 1440306040 /nfs/dbraw/zinc/30/60/40/1440306040.db2.gz IVIRKOAPULDDGI-HKUYNNGSSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001753105856 1440306041 /nfs/dbraw/zinc/30/60/41/1440306041.db2.gz IVIRKOAPULDDGI-HKUYNNGSSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001753105856 1440306042 /nfs/dbraw/zinc/30/60/42/1440306042.db2.gz IVIRKOAPULDDGI-HKUYNNGSSA-N 2 1 343.515 3.121 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccc(C)cc1C ZINC001753144838 1440323519 /nfs/dbraw/zinc/32/35/19/1440323519.db2.gz KOZTYLOJPOPKDS-UHFFFAOYSA-N 2 1 345.531 3.116 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CCC1CCCCC1)C1CC1 ZINC001753154643 1440330112 /nfs/dbraw/zinc/33/01/12/1440330112.db2.gz KZSKWKQYCMBMIL-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CCC1CCCCC1)C1CC1 ZINC001753154643 1440330113 /nfs/dbraw/zinc/33/01/13/1440330113.db2.gz KZSKWKQYCMBMIL-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CCC1CCCCC1)C1CC1 ZINC001753154643 1440330114 /nfs/dbraw/zinc/33/01/14/1440330114.db2.gz KZSKWKQYCMBMIL-HXUWFJFHSA-N 2 1 349.563 3.410 20 0 EGADMP CN(CC[NH2+]CC1CC(C)(C)C1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001753189775 1440337551 /nfs/dbraw/zinc/33/75/51/1440337551.db2.gz QZOQMJMNMWDBAZ-GOSISDBHSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001753287187 1440349098 /nfs/dbraw/zinc/34/90/98/1440349098.db2.gz NLZUCKLBMMIYIT-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001753287187 1440349099 /nfs/dbraw/zinc/34/90/99/1440349099.db2.gz NLZUCKLBMMIYIT-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001753287187 1440349100 /nfs/dbraw/zinc/34/91/00/1440349100.db2.gz NLZUCKLBMMIYIT-GOSISDBHSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC001753299082 1440353370 /nfs/dbraw/zinc/35/33/70/1440353370.db2.gz SCFWARKWNAIEDE-WOJBJXKFSA-N 2 1 343.515 3.249 20 0 EGADMP CC(C)[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC001753299081 1440353419 /nfs/dbraw/zinc/35/34/19/1440353419.db2.gz SCFWARKWNAIEDE-VQTJNVASSA-N 2 1 343.515 3.249 20 0 EGADMP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001753323898 1440365253 /nfs/dbraw/zinc/36/52/53/1440365253.db2.gz SQIQZCIOPRKEMX-FQEVSTJZSA-N 2 1 343.515 3.085 20 0 EGADMP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001753323899 1440365340 /nfs/dbraw/zinc/36/53/40/1440365340.db2.gz SQIQZCIOPRKEMX-HXUWFJFHSA-N 2 1 343.515 3.085 20 0 EGADMP CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC[N@@H+](C[C@H](C)CC)C1 ZINC001753325506 1440366238 /nfs/dbraw/zinc/36/62/38/1440366238.db2.gz BPRZWMGZJMRERU-MSOLQXFVSA-N 2 1 339.568 3.323 20 0 EGADMP CCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1CC[NH+](C[C@H](C)CC)C1 ZINC001753325506 1440366239 /nfs/dbraw/zinc/36/62/39/1440366239.db2.gz BPRZWMGZJMRERU-MSOLQXFVSA-N 2 1 339.568 3.323 20 0 EGADMP CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1CC[NH+](C[C@H](C)CC)C1 ZINC001753325506 1440366240 /nfs/dbraw/zinc/36/62/40/1440366240.db2.gz BPRZWMGZJMRERU-MSOLQXFVSA-N 2 1 339.568 3.323 20 0 EGADMP CCCCCC[N@@H+](C)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001753366318 1440385484 /nfs/dbraw/zinc/38/54/84/1440385484.db2.gz VSTJEWXUSTWHHD-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+](C)CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001753366318 1440385485 /nfs/dbraw/zinc/38/54/85/1440385485.db2.gz VSTJEWXUSTWHHD-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP CCCCCC[NH+](C)CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001753366318 1440385486 /nfs/dbraw/zinc/38/54/86/1440385486.db2.gz VSTJEWXUSTWHHD-GOSISDBHSA-N 2 1 337.552 3.079 20 0 EGADMP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC(C)(C)CC1 ZINC001753426998 1440397055 /nfs/dbraw/zinc/39/70/55/1440397055.db2.gz ZBAIIZZKLQVKTA-OALUTQOASA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)CCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001753449850 1440405374 /nfs/dbraw/zinc/40/53/74/1440405374.db2.gz NFZYXSRDWGIFAI-FQEVSTJZSA-N 2 1 349.563 3.366 20 0 EGADMP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001753461094 1440410776 /nfs/dbraw/zinc/41/07/76/1440410776.db2.gz DDRPWVCCOMMTCG-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001753461094 1440410777 /nfs/dbraw/zinc/41/07/77/1440410777.db2.gz DDRPWVCCOMMTCG-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001753461094 1440410778 /nfs/dbraw/zinc/41/07/78/1440410778.db2.gz DDRPWVCCOMMTCG-ROUUACIJSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1c[nH+]cn1CC(=O)NC1(C[NH2+]CCCC(C)(C)C)CCCC1 ZINC001753504886 1440424287 /nfs/dbraw/zinc/42/42/87/1440424287.db2.gz KSWJXLZLSKXILD-UHFFFAOYSA-N 2 1 334.508 3.036 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)NCCC2CC[NH+](CCC3CCCC3)CC2)C1 ZINC001753599107 1440445824 /nfs/dbraw/zinc/44/58/24/1440445824.db2.gz CQBFJLUZGOMKKK-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NCCC2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001753599481 1440445937 /nfs/dbraw/zinc/44/59/37/1440445937.db2.gz BYUKCPHDGUHKEJ-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001753616211 1440449719 /nfs/dbraw/zinc/44/97/19/1440449719.db2.gz AWXVLYZDTPWFRB-PKOBYXMFSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1cc(C)cc(C[NH2+]C[C@H](C)CNC(=O)CC[C@H]2CCC[N@H+]2C)c1 ZINC001753617920 1440450058 /nfs/dbraw/zinc/45/00/58/1440450058.db2.gz BGPPVFOMPZKWGK-AZUAARDMSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001753799134 1440490432 /nfs/dbraw/zinc/49/04/32/1440490432.db2.gz ZRUXWGURXWMAOD-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP CC[C@H](C)C[N@@H+](C)CCC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001753819806 1440495184 /nfs/dbraw/zinc/49/51/84/1440495184.db2.gz DXDZCGLZUAZQEM-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C)C[NH+](C)CCC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001753819806 1440495185 /nfs/dbraw/zinc/49/51/85/1440495185.db2.gz DXDZCGLZUAZQEM-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](C)C[NH+](C)CCC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001753819806 1440495186 /nfs/dbraw/zinc/49/51/86/1440495186.db2.gz DXDZCGLZUAZQEM-KRWDZBQOSA-N 2 1 337.552 3.077 20 0 EGADMP CCC(CC)C[N@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001753824353 1440497856 /nfs/dbraw/zinc/49/78/56/1440497856.db2.gz ZPMACKYCYWWTPH-UHFFFAOYSA-N 2 1 348.535 3.188 20 0 EGADMP CCC(CC)C[N@@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001753824353 1440497857 /nfs/dbraw/zinc/49/78/57/1440497857.db2.gz ZPMACKYCYWWTPH-UHFFFAOYSA-N 2 1 348.535 3.188 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)[C@H](C)c1cccc(Cl)c1 ZINC001753874499 1440518590 /nfs/dbraw/zinc/51/85/90/1440518590.db2.gz GLXXRHQHOVYRCV-OAHLLOKOSA-N 2 1 339.911 3.133 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001753874499 1440518591 /nfs/dbraw/zinc/51/85/91/1440518591.db2.gz GLXXRHQHOVYRCV-OAHLLOKOSA-N 2 1 339.911 3.133 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001753874499 1440518592 /nfs/dbraw/zinc/51/85/92/1440518592.db2.gz GLXXRHQHOVYRCV-OAHLLOKOSA-N 2 1 339.911 3.133 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001753877385 1440519818 /nfs/dbraw/zinc/51/98/18/1440519818.db2.gz GEMAQHJWPMDWAU-WOJBJXKFSA-N 2 1 349.563 3.366 20 0 EGADMP CCN(CC[NH2+]CCCC(C)(C)C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001754067218 1440537749 /nfs/dbraw/zinc/53/77/49/1440537749.db2.gz OBUHBSQQGFZREV-KRWDZBQOSA-N 2 1 348.535 3.018 20 0 EGADMP CC[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC001754102950 1440541418 /nfs/dbraw/zinc/54/14/18/1440541418.db2.gz GXQORXOBGBYYBK-JDTHPWDHSA-N 2 1 349.906 3.147 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cc(C)ccc1C ZINC001754309682 1440572717 /nfs/dbraw/zinc/57/27/17/1440572717.db2.gz DLVTWGZTNHALES-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1cc(C)ccc1C ZINC001754309682 1440572718 /nfs/dbraw/zinc/57/27/18/1440572718.db2.gz DLVTWGZTNHALES-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(C)ccc1C ZINC001754309682 1440572719 /nfs/dbraw/zinc/57/27/19/1440572719.db2.gz DLVTWGZTNHALES-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001754326290 1440580824 /nfs/dbraw/zinc/58/08/24/1440580824.db2.gz HAKQHUHMSOOVEI-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001754330754 1440583654 /nfs/dbraw/zinc/58/36/54/1440583654.db2.gz NTQMPKJWRGCLDF-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001754330754 1440583655 /nfs/dbraw/zinc/58/36/55/1440583655.db2.gz NTQMPKJWRGCLDF-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001754330754 1440583656 /nfs/dbraw/zinc/58/36/56/1440583656.db2.gz NTQMPKJWRGCLDF-GJZGRUSLSA-N 2 1 339.911 3.179 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001754335426 1440586280 /nfs/dbraw/zinc/58/62/80/1440586280.db2.gz COTSSBHQXDARNP-HKUYNNGSSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1cccc2ccccc21 ZINC001754337195 1440587213 /nfs/dbraw/zinc/58/72/13/1440587213.db2.gz UCCUXRDECMPZPJ-KRWDZBQOSA-N 2 1 341.499 3.117 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1cccc2ccccc21 ZINC001754337195 1440587214 /nfs/dbraw/zinc/58/72/14/1440587214.db2.gz UCCUXRDECMPZPJ-KRWDZBQOSA-N 2 1 341.499 3.117 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1cccc2ccccc21 ZINC001754337195 1440587215 /nfs/dbraw/zinc/58/72/15/1440587215.db2.gz UCCUXRDECMPZPJ-KRWDZBQOSA-N 2 1 341.499 3.117 20 0 EGADMP CC(C)[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001754347320 1440590007 /nfs/dbraw/zinc/59/00/07/1440590007.db2.gz XMIPLIPNANKPKG-FUHWJXTLSA-N 2 1 337.552 3.312 20 0 EGADMP C[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC001754391783 1440594218 /nfs/dbraw/zinc/59/42/18/1440594218.db2.gz HOSPVCCLMKIHCG-JZXOWHBKSA-N 2 1 349.494 3.055 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001754505517 1440616192 /nfs/dbraw/zinc/61/61/92/1440616192.db2.gz VGNIGGNDUWNQIM-HXUWFJFHSA-N 2 1 349.563 3.413 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CC1 ZINC001754528007 1440621692 /nfs/dbraw/zinc/62/16/92/1440621692.db2.gz YATHKPCUMAYFJI-GOSISDBHSA-N 2 1 335.536 3.068 20 0 EGADMP CC/C=C\CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001754539760 1440625853 /nfs/dbraw/zinc/62/58/53/1440625853.db2.gz VANMJIYDCSQHAP-XOUUWWQPSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001754539760 1440625854 /nfs/dbraw/zinc/62/58/54/1440625854.db2.gz VANMJIYDCSQHAP-XOUUWWQPSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C\CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001754539760 1440625855 /nfs/dbraw/zinc/62/58/55/1440625855.db2.gz VANMJIYDCSQHAP-XOUUWWQPSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001754558213 1440632550 /nfs/dbraw/zinc/63/25/50/1440632550.db2.gz ZRIGEVSNNKXHSL-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001754558213 1440632551 /nfs/dbraw/zinc/63/25/51/1440632551.db2.gz ZRIGEVSNNKXHSL-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CCCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001754558213 1440632552 /nfs/dbraw/zinc/63/25/52/1440632552.db2.gz ZRIGEVSNNKXHSL-PZJWPPBQSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CCCC1 ZINC001754655720 1440653374 /nfs/dbraw/zinc/65/33/74/1440653374.db2.gz SNJIVCXKKZRKBR-OALUTQOASA-N 2 1 337.552 3.170 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001754686096 1440665089 /nfs/dbraw/zinc/66/50/89/1440665089.db2.gz YUGNZIVYOXTKGB-ICSRJNTNSA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001754686096 1440665090 /nfs/dbraw/zinc/66/50/90/1440665090.db2.gz YUGNZIVYOXTKGB-ICSRJNTNSA-N 2 1 349.494 3.198 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001754686096 1440665091 /nfs/dbraw/zinc/66/50/91/1440665091.db2.gz YUGNZIVYOXTKGB-ICSRJNTNSA-N 2 1 349.494 3.198 20 0 EGADMP CCCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001754696513 1440667237 /nfs/dbraw/zinc/66/72/37/1440667237.db2.gz YHGXSVQCGQDCGR-APWZRJJASA-N 2 1 334.508 3.025 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001754705828 1440668956 /nfs/dbraw/zinc/66/89/56/1440668956.db2.gz MDGWMOANERZKSA-WIYYLYMNSA-N 2 1 347.547 3.047 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001754705825 1440669057 /nfs/dbraw/zinc/66/90/57/1440669057.db2.gz MDGWMOANERZKSA-GHTZIAJQSA-N 2 1 347.547 3.047 20 0 EGADMP Cc1ccc(C[N@@H+]2CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C2)cc1 ZINC001754730482 1440678867 /nfs/dbraw/zinc/67/88/67/1440678867.db2.gz WYHOITIULAOZLS-OAQYLSRUSA-N 2 1 345.531 3.055 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@]1(C)CCC[NH+](CCCC(C)(C)C)C1 ZINC001754731802 1440679977 /nfs/dbraw/zinc/67/99/77/1440679977.db2.gz JXLOSVZDFSMJJO-HXUWFJFHSA-N 2 1 339.568 3.373 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@H+](CCCC(C)(C)C)C1 ZINC001754731802 1440679978 /nfs/dbraw/zinc/67/99/78/1440679978.db2.gz JXLOSVZDFSMJJO-HXUWFJFHSA-N 2 1 339.568 3.373 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001754731802 1440679979 /nfs/dbraw/zinc/67/99/79/1440679979.db2.gz JXLOSVZDFSMJJO-HXUWFJFHSA-N 2 1 339.568 3.373 20 0 EGADMP CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001754837703 1440697242 /nfs/dbraw/zinc/69/72/42/1440697242.db2.gz RPRRUNHMDBOXMS-HXUWFJFHSA-N 2 1 345.531 3.278 20 0 EGADMP CCCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001754948489 1440714196 /nfs/dbraw/zinc/71/41/96/1440714196.db2.gz ZKRWOUUGVYLLLS-GPMSIDNRSA-N 2 1 331.504 3.094 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001755026685 1440729208 /nfs/dbraw/zinc/72/92/08/1440729208.db2.gz UZIQUMUOZHCPBX-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001755026685 1440729209 /nfs/dbraw/zinc/72/92/09/1440729209.db2.gz UZIQUMUOZHCPBX-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001755026685 1440729210 /nfs/dbraw/zinc/72/92/10/1440729210.db2.gz UZIQUMUOZHCPBX-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001755027517 1440729656 /nfs/dbraw/zinc/72/96/56/1440729656.db2.gz BBHRDNCFKWXYSV-OALUTQOASA-N 2 1 331.504 3.060 20 0 EGADMP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)CC1)[NH+](C)C ZINC001755028449 1440729984 /nfs/dbraw/zinc/72/99/84/1440729984.db2.gz FHEILJWWVCCSPL-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001755031546 1440731839 /nfs/dbraw/zinc/73/18/39/1440731839.db2.gz UNJDCDUWIMVCOL-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001755031546 1440731840 /nfs/dbraw/zinc/73/18/40/1440731840.db2.gz UNJDCDUWIMVCOL-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001755031546 1440731841 /nfs/dbraw/zinc/73/18/41/1440731841.db2.gz UNJDCDUWIMVCOL-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001755043325 1440738909 /nfs/dbraw/zinc/73/89/09/1440738909.db2.gz RWZGIUNIKPIHOK-SJORKVTESA-N 2 1 349.494 3.009 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001755043325 1440738910 /nfs/dbraw/zinc/73/89/10/1440738910.db2.gz RWZGIUNIKPIHOK-SJORKVTESA-N 2 1 349.494 3.009 20 0 EGADMP C[C@@H](c1ccc(F)cc1)[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001755043325 1440738911 /nfs/dbraw/zinc/73/89/11/1440738911.db2.gz RWZGIUNIKPIHOK-SJORKVTESA-N 2 1 349.494 3.009 20 0 EGADMP CC[N@H+]1Cc2ccc(CNC(=O)C3(C[NH+](C)C)CCCCC3)cc2C1 ZINC001755102319 1440753358 /nfs/dbraw/zinc/75/33/58/1440753358.db2.gz PRVOTZSFRBZJGS-UHFFFAOYSA-N 2 1 343.515 3.150 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)CC1(C)C ZINC001755141870 1440760768 /nfs/dbraw/zinc/76/07/68/1440760768.db2.gz KOBSECDDPJFXLE-PKOBYXMFSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)CC1(C)C ZINC001755141870 1440760769 /nfs/dbraw/zinc/76/07/69/1440760769.db2.gz KOBSECDDPJFXLE-PKOBYXMFSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)CC1(C)C ZINC001755141870 1440760770 /nfs/dbraw/zinc/76/07/70/1440760770.db2.gz KOBSECDDPJFXLE-PKOBYXMFSA-N 2 1 345.531 3.306 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001755199327 1440778637 /nfs/dbraw/zinc/77/86/37/1440778637.db2.gz UXEFLHWEYUSQKU-SFHVURJKSA-N 2 1 339.568 3.323 20 0 EGADMP CCC(CC)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001755199327 1440778638 /nfs/dbraw/zinc/77/86/38/1440778638.db2.gz UXEFLHWEYUSQKU-SFHVURJKSA-N 2 1 339.568 3.323 20 0 EGADMP CCC(CC)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001755199327 1440778639 /nfs/dbraw/zinc/77/86/39/1440778639.db2.gz UXEFLHWEYUSQKU-SFHVURJKSA-N 2 1 339.568 3.323 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001755201289 1440779933 /nfs/dbraw/zinc/77/99/33/1440779933.db2.gz QJWJNJBVUGSLRK-UXHICEINSA-N 2 1 345.531 3.401 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001755201289 1440779934 /nfs/dbraw/zinc/77/99/34/1440779934.db2.gz QJWJNJBVUGSLRK-UXHICEINSA-N 2 1 345.531 3.401 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001755201289 1440779935 /nfs/dbraw/zinc/77/99/35/1440779935.db2.gz QJWJNJBVUGSLRK-UXHICEINSA-N 2 1 345.531 3.401 20 0 EGADMP C[C@@H](CNC(=O)CCCC[NH+](C)C)[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC001755322541 1440819384 /nfs/dbraw/zinc/81/93/84/1440819384.db2.gz KNZBBFWAURDGTP-FXAWDEMLSA-N 2 1 345.531 3.232 20 0 EGADMP C[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)[N@@H+](C)CC1CCCCC1 ZINC001755325683 1440821485 /nfs/dbraw/zinc/82/14/85/1440821485.db2.gz ZTXQIVSRFHNAOR-KRWDZBQOSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)[N@@H+](C)CC1CCCCC1 ZINC001755325684 1440821574 /nfs/dbraw/zinc/82/15/74/1440821574.db2.gz ZTXQIVSRFHNAOR-QGZVFWFLSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[C@H](CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCC1=CCCCC1 ZINC001755342989 1440825891 /nfs/dbraw/zinc/82/58/91/1440825891.db2.gz ONSLDHVOXJOJCW-PMACEKPBSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1(C[NH2+]CC2=CCCCC2)CCCCC1 ZINC001755355754 1440829344 /nfs/dbraw/zinc/82/93/44/1440829344.db2.gz SKKBDLAVWCXZAR-UHFFFAOYSA-N 2 1 335.536 3.237 20 0 EGADMP CC(C)C[NH2+]CC1(NC(=O)C[N@H+](C)Cc2ccccc2)CCCCC1 ZINC001755356161 1440829446 /nfs/dbraw/zinc/82/94/46/1440829446.db2.gz GSVMFKXOCIBBBS-UHFFFAOYSA-N 2 1 345.531 3.183 20 0 EGADMP CC(C)C[NH2+]CC1(NC(=O)C[N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001755356161 1440829447 /nfs/dbraw/zinc/82/94/47/1440829447.db2.gz GSVMFKXOCIBBBS-UHFFFAOYSA-N 2 1 345.531 3.183 20 0 EGADMP CCCCC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC001755413210 1440847283 /nfs/dbraw/zinc/84/72/83/1440847283.db2.gz VGUXTLGCWVFQCX-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC001755413210 1440847284 /nfs/dbraw/zinc/84/72/84/1440847284.db2.gz VGUXTLGCWVFQCX-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC001755413210 1440847285 /nfs/dbraw/zinc/84/72/85/1440847285.db2.gz VGUXTLGCWVFQCX-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001755454275 1440854995 /nfs/dbraw/zinc/85/49/95/1440854995.db2.gz ZBGPLLHKNMHKBX-BSMJBHPZSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001755454275 1440854996 /nfs/dbraw/zinc/85/49/96/1440854996.db2.gz ZBGPLLHKNMHKBX-BSMJBHPZSA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001755454275 1440854997 /nfs/dbraw/zinc/85/49/97/1440854997.db2.gz ZBGPLLHKNMHKBX-BSMJBHPZSA-N 2 1 347.547 3.044 20 0 EGADMP CCCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001755471162 1440858862 /nfs/dbraw/zinc/85/88/62/1440858862.db2.gz QIAMKFOPRLARCT-FHWLQOOXSA-N 2 1 349.563 3.316 20 0 EGADMP Cc1ccc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001755518006 1440864594 /nfs/dbraw/zinc/86/45/94/1440864594.db2.gz ZQVXOLGEYUJDAN-PKOBYXMFSA-N 2 1 345.531 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001755571148 1440876932 /nfs/dbraw/zinc/87/69/32/1440876932.db2.gz OBXLHYKVTBRZHG-UXHICEINSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C)cc1 ZINC001755667513 1440893701 /nfs/dbraw/zinc/89/37/01/1440893701.db2.gz VVGCZPJLNIDVLD-YLJYHZDGSA-N 2 1 345.531 3.229 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCCC2CCC2)CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001755687009 1440896047 /nfs/dbraw/zinc/89/60/47/1440896047.db2.gz RSBRZLUVAQKRNT-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001755703360 1440901401 /nfs/dbraw/zinc/90/14/01/1440901401.db2.gz XMPQIELBBNJNJK-MLYOOKFZSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001755703360 1440901402 /nfs/dbraw/zinc/90/14/02/1440901402.db2.gz XMPQIELBBNJNJK-MLYOOKFZSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001755703360 1440901403 /nfs/dbraw/zinc/90/14/03/1440901403.db2.gz XMPQIELBBNJNJK-MLYOOKFZSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001755722250 1440908066 /nfs/dbraw/zinc/90/80/66/1440908066.db2.gz HBNXOSPBRVKWFL-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP C[C@@H]1[C@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@H+]1CC1CCCCC1 ZINC001755723446 1440908392 /nfs/dbraw/zinc/90/83/92/1440908392.db2.gz PCSXTGVNRKCEQV-UYAOXDASSA-N 2 1 349.563 3.412 20 0 EGADMP Cc1cc(C)c(C[N@H+](C)CCN(C(=O)CC[NH+](C)C)C(C)C)c(C)c1 ZINC001755811905 1440920823 /nfs/dbraw/zinc/92/08/23/1440920823.db2.gz FMZRZHYIDAVGQF-UHFFFAOYSA-N 2 1 347.547 3.232 20 0 EGADMP CC(C)N(CC[N@@H+](C)CC1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001755812525 1440921229 /nfs/dbraw/zinc/92/12/29/1440921229.db2.gz RTSJZFQYXHSJNN-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)N(CC[NH+](C)CC1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001755812525 1440921230 /nfs/dbraw/zinc/92/12/30/1440921230.db2.gz RTSJZFQYXHSJNN-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)N(CC[NH+](C)CC1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001755812525 1440921231 /nfs/dbraw/zinc/92/12/31/1440921231.db2.gz RTSJZFQYXHSJNN-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)C(C)(C)C ZINC001755827665 1440927727 /nfs/dbraw/zinc/92/77/27/1440927727.db2.gz QNQFZRAKOCIIDS-ROUUACIJSA-N 2 1 337.552 3.027 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C2CC([NH2+]CC(CC)CC)C2)C1 ZINC001755860275 1440936650 /nfs/dbraw/zinc/93/66/50/1440936650.db2.gz YSHPRAXSTFZLHZ-LMDPOFIKSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NC2(C3CC[NH+](CCC(C)(C)C)CC3)CC2)C1 ZINC001755869379 1440938597 /nfs/dbraw/zinc/93/85/97/1440938597.db2.gz DQYOMHXHAGTUQE-KRWDZBQOSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001755894398 1440942389 /nfs/dbraw/zinc/94/23/89/1440942389.db2.gz RIBRHSVBRPKZSN-MSOLQXFVSA-N 2 1 335.536 3.045 20 0 EGADMP CC/C=C/CC[N@@H+]1CC=C(CNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001755894977 1440942425 /nfs/dbraw/zinc/94/24/25/1440942425.db2.gz RKXWBLUNMVIFGZ-BQYQJAHWSA-N 2 1 335.536 3.069 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001755894977 1440942426 /nfs/dbraw/zinc/94/24/26/1440942426.db2.gz RKXWBLUNMVIFGZ-BQYQJAHWSA-N 2 1 335.536 3.069 20 0 EGADMP CC/C=C/CC[NH+]1CC=C(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001755894977 1440942427 /nfs/dbraw/zinc/94/24/27/1440942427.db2.gz RKXWBLUNMVIFGZ-BQYQJAHWSA-N 2 1 335.536 3.069 20 0 EGADMP CCCCC[N@@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001755899343 1440943583 /nfs/dbraw/zinc/94/35/83/1440943583.db2.gz MBLURTHPQKBASO-IBGZPJMESA-N 2 1 335.536 3.045 20 0 EGADMP Cc1nc(C[N@H+]2CCCC23CCN(c2cc(N)cc[nH+]2)CC3)cs1 ZINC001164694459 719803435 /nfs/dbraw/zinc/80/34/35/719803435.db2.gz YUIKLOSZMHAVQC-UHFFFAOYSA-N 2 1 343.500 3.064 20 0 EGADMP Cc1cc(C)[nH+]c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164899997 721511800 /nfs/dbraw/zinc/51/18/00/721511800.db2.gz MYEBUSVQRCWNMA-IEBWSBKVSA-N 2 1 341.430 3.179 20 0 EGADMP Cc1cc(C)[nH+]c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164899997 721511803 /nfs/dbraw/zinc/51/18/03/721511803.db2.gz MYEBUSVQRCWNMA-IEBWSBKVSA-N 2 1 341.430 3.179 20 0 EGADMP Cc1nc(N2CCCC2)cc(N2CCCC[C@H]2CC[NH+]2CCCC2)[nH+]1 ZINC001165046814 721966018 /nfs/dbraw/zinc/96/60/18/721966018.db2.gz PCTQBVTWDRGNIZ-SFHVURJKSA-N 2 1 343.519 3.230 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2c[nH]c3nccnc23)[C@H]1c1cccs1 ZINC000368217255 168326484 /nfs/dbraw/zinc/32/64/84/168326484.db2.gz XDDYQQQNTBBOAV-DYVFJYSZSA-N 2 1 341.484 3.144 20 0 EGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCc2[nH]cnc21)c1ccccc1 ZINC000368453311 168358222 /nfs/dbraw/zinc/35/82/22/168358222.db2.gz FRWACOKGSPZLTE-GOEBONIOSA-N 2 1 340.471 3.075 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093089224 282241211 /nfs/dbraw/zinc/24/12/11/282241211.db2.gz TZGXBAJVKKRRHU-UHFFFAOYSA-N 2 1 344.478 3.402 20 0 EGADMP C[N@@H+](CCCO)C1CC[NH+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187297796 529893809 /nfs/dbraw/zinc/89/38/09/529893809.db2.gz UPBVIBMNZGZYIG-NHCUHLMSSA-N 2 1 330.516 3.275 20 0 EGADMP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)o1 ZINC000180998188 234056338 /nfs/dbraw/zinc/05/63/38/234056338.db2.gz NKRAZFVKMIIORT-ZAAXVRCTSA-N 2 1 340.467 3.259 20 0 EGADMP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)o1 ZINC000180998188 234056343 /nfs/dbraw/zinc/05/63/43/234056343.db2.gz NKRAZFVKMIIORT-ZAAXVRCTSA-N 2 1 340.467 3.259 20 0 EGADMP CSc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130470776 223154591 /nfs/dbraw/zinc/15/45/91/223154591.db2.gz UOEHOQOOXRNXRE-CQSZACIVSA-N 2 1 346.500 3.263 20 0 EGADMP CSc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130470776 223154593 /nfs/dbraw/zinc/15/45/93/223154593.db2.gz UOEHOQOOXRNXRE-CQSZACIVSA-N 2 1 346.500 3.263 20 0 EGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000072860582 216320507 /nfs/dbraw/zinc/32/05/07/216320507.db2.gz YGNWHAPFIJVKNL-IBGZPJMESA-N 2 1 339.483 3.434 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000072860582 216320510 /nfs/dbraw/zinc/32/05/10/216320510.db2.gz YGNWHAPFIJVKNL-IBGZPJMESA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000072860582 216320514 /nfs/dbraw/zinc/32/05/14/216320514.db2.gz YGNWHAPFIJVKNL-IBGZPJMESA-N 2 1 339.483 3.434 20 0 EGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000072860582 216320516 /nfs/dbraw/zinc/32/05/16/216320516.db2.gz YGNWHAPFIJVKNL-IBGZPJMESA-N 2 1 339.483 3.434 20 0 EGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@@H]([NH3+])c2ccccc2)c1 ZINC000236663616 242311160 /nfs/dbraw/zinc/31/11/60/242311160.db2.gz XVIDWHUYCUZXHF-HXUWFJFHSA-N 2 1 339.483 3.233 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000236829696 242374488 /nfs/dbraw/zinc/37/44/88/242374488.db2.gz ZRWDAPBWBVPEAA-CVEARBPZSA-N 2 1 326.444 3.121 20 0 EGADMP C[N@H+](Cc1ccc(OCc2cccnc2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000266018053 248034278 /nfs/dbraw/zinc/03/42/78/248034278.db2.gz QULSYRJYWRSAEI-FQEVSTJZSA-N 2 1 339.483 3.434 20 0 EGADMP C[NH+](Cc1ccc(OCc2cccnc2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000266018053 248034279 /nfs/dbraw/zinc/03/42/79/248034279.db2.gz QULSYRJYWRSAEI-FQEVSTJZSA-N 2 1 339.483 3.434 20 0 EGADMP C[NH+](Cc1ccc(OCc2cccnc2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000266018053 248034282 /nfs/dbraw/zinc/03/42/82/248034282.db2.gz QULSYRJYWRSAEI-FQEVSTJZSA-N 2 1 339.483 3.434 20 0 EGADMP CC(C)n1cc(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)nn1 ZINC000377543234 169039162 /nfs/dbraw/zinc/03/91/62/169039162.db2.gz QGOGUMXGVKQOSX-KRWDZBQOSA-N 2 1 333.524 3.336 20 0 EGADMP CC(=O)N(C)C1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000092538607 218148443 /nfs/dbraw/zinc/14/84/43/218148443.db2.gz WFOLANDLAKLSRT-UHFFFAOYSA-N 2 1 345.531 3.087 20 0 EGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(Cl)c1OC ZINC000093089335 218193575 /nfs/dbraw/zinc/19/35/75/218193575.db2.gz PORHCIOGBRJUNW-UHFFFAOYSA-N 2 1 326.868 3.131 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc4ccccc4s3)C2)CC1 ZINC000093132789 218195581 /nfs/dbraw/zinc/19/55/81/218195581.db2.gz ODDZVZGVWPDWJE-KRWDZBQOSA-N 2 1 329.513 3.113 20 0 EGADMP COCCCOc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683892 218242243 /nfs/dbraw/zinc/24/22/43/218242243.db2.gz YEHAZXZVMWDSIB-HXUWFJFHSA-N 2 1 346.515 3.410 20 0 EGADMP COCCCOc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683892 218242246 /nfs/dbraw/zinc/24/22/46/218242246.db2.gz YEHAZXZVMWDSIB-HXUWFJFHSA-N 2 1 346.515 3.410 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261817664 296314124 /nfs/dbraw/zinc/31/41/24/296314124.db2.gz SIPSKTUBRUTIDS-FUHIMQAGSA-N 2 1 343.515 3.195 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268797058 252250018 /nfs/dbraw/zinc/25/00/18/252250018.db2.gz WYMKNNQMMVIJFA-KYNGSXCRSA-N 2 1 342.487 3.248 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268797058 252250021 /nfs/dbraw/zinc/25/00/21/252250021.db2.gz WYMKNNQMMVIJFA-KYNGSXCRSA-N 2 1 342.487 3.248 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268797060 252250426 /nfs/dbraw/zinc/25/04/26/252250426.db2.gz WYMKNNQMMVIJFA-ZOCIIQOWSA-N 2 1 342.487 3.248 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268797060 252250428 /nfs/dbraw/zinc/25/04/28/252250428.db2.gz WYMKNNQMMVIJFA-ZOCIIQOWSA-N 2 1 342.487 3.248 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c2cnn3C)CC[N@@H+]1Cc1ccccc1 ZINC000268816833 252269462 /nfs/dbraw/zinc/26/94/62/252269462.db2.gz MTRITUPXICHTFI-IMFGXOCKSA-N 2 1 338.499 3.440 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c2cnn3C)CC[N@H+]1Cc1ccccc1 ZINC000268816833 252269465 /nfs/dbraw/zinc/26/94/65/252269465.db2.gz MTRITUPXICHTFI-IMFGXOCKSA-N 2 1 338.499 3.440 20 0 EGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(SCC(F)F)cc1 ZINC000268810100 252263200 /nfs/dbraw/zinc/26/32/00/252263200.db2.gz DRRMEZKZXIJVFU-UKRRQHHQSA-N 2 1 344.471 3.151 20 0 EGADMP Cc1noc(C)c1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268864829 252313911 /nfs/dbraw/zinc/31/39/11/252313911.db2.gz FEDSUHYHKKFPFR-HNAYVOBHSA-N 2 1 327.472 3.477 20 0 EGADMP Cc1noc(C)c1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268864829 252313914 /nfs/dbraw/zinc/31/39/14/252313914.db2.gz FEDSUHYHKKFPFR-HNAYVOBHSA-N 2 1 327.472 3.477 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000268868325 252317184 /nfs/dbraw/zinc/31/71/84/252317184.db2.gz OLDXCLJAOIGWCC-HNNXBMFYSA-N 2 1 338.459 3.130 20 0 EGADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000153765740 224155143 /nfs/dbraw/zinc/15/51/43/224155143.db2.gz SAOQFLVDNDUZFC-CQSZACIVSA-N 2 1 348.516 3.132 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000153765740 224155144 /nfs/dbraw/zinc/15/51/44/224155144.db2.gz SAOQFLVDNDUZFC-CQSZACIVSA-N 2 1 348.516 3.132 20 0 EGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000246334607 285310035 /nfs/dbraw/zinc/31/00/35/285310035.db2.gz GJWDZCWGXNQEIW-HSALFYBXSA-N 2 1 344.499 3.258 20 0 EGADMP C[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178253518 533340348 /nfs/dbraw/zinc/34/03/48/533340348.db2.gz OCINTKOTHDKPQM-QGZVFWFLSA-N 2 1 345.531 3.152 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000178254780 533340436 /nfs/dbraw/zinc/34/04/36/533340436.db2.gz NHYFDKOEFPNZCI-QGZVFWFLSA-N 3 1 345.531 3.152 20 0 EGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000183336412 533570836 /nfs/dbraw/zinc/57/08/36/533570836.db2.gz NVAMGWOGEUXAAG-MRXNPFEDSA-N 2 1 348.487 3.009 20 0 EGADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000236891800 141000418 /nfs/dbraw/zinc/00/04/18/141000418.db2.gz DPCILXPREVTPHM-BXWFABGCSA-N 2 1 331.504 3.051 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000338012457 141073035 /nfs/dbraw/zinc/07/30/35/141073035.db2.gz RDHDKKQZFMKXAH-CYBMUJFWSA-N 2 1 326.444 3.162 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)Cc2ccccc2)C1 ZINC000354602815 141313420 /nfs/dbraw/zinc/31/34/20/141313420.db2.gz MCLQRIXXUSBTIZ-WOJBJXKFSA-N 2 1 345.531 3.087 20 0 EGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H](CC)[N@H+](C)Cc2ccccc2)C1 ZINC000354602815 141313421 /nfs/dbraw/zinc/31/34/21/141313421.db2.gz MCLQRIXXUSBTIZ-WOJBJXKFSA-N 2 1 345.531 3.087 20 0 EGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H](CC)[N@@H+](C)Cc2ccccc2)C1 ZINC000354602815 141313422 /nfs/dbraw/zinc/31/34/22/141313422.db2.gz MCLQRIXXUSBTIZ-WOJBJXKFSA-N 2 1 345.531 3.087 20 0 EGADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000359601408 141383394 /nfs/dbraw/zinc/38/33/94/141383394.db2.gz UZGVGHBYRPVBEI-JBACZVJFSA-N 2 1 347.547 3.016 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)N(C)C)[C@@H](C)C1 ZINC000359601408 141383395 /nfs/dbraw/zinc/38/33/95/141383395.db2.gz UZGVGHBYRPVBEI-JBACZVJFSA-N 2 1 347.547 3.016 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)N(C)C)[C@@H](C)C1 ZINC000359601408 141383396 /nfs/dbraw/zinc/38/33/96/141383396.db2.gz UZGVGHBYRPVBEI-JBACZVJFSA-N 2 1 347.547 3.016 20 0 EGADMP C[C@@H](NCCC[NH+]1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178409171 144071104 /nfs/dbraw/zinc/07/11/04/144071104.db2.gz FLXYYWBHEDWXFZ-GOSISDBHSA-N 2 1 333.520 3.154 20 0 EGADMP FC(F)(F)C1CCC(C[N@H+]2CC[C@H](CN3CCOCC3)C2)CC1 ZINC000185517742 144113842 /nfs/dbraw/zinc/11/38/42/144113842.db2.gz CNKXZNZZBWKKBO-HWOWSKLDSA-N 2 1 334.426 3.009 20 0 EGADMP C[C@H]1C[C@H](NCc2ccccc2OCc2cccnc2)CC[N@H+]1C ZINC000344624505 144201349 /nfs/dbraw/zinc/20/13/49/144201349.db2.gz IXUGBKKYTPRGDI-QFBILLFUSA-N 2 1 325.456 3.233 20 0 EGADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCc2cccnc2)CCN1C ZINC000344624505 144201350 /nfs/dbraw/zinc/20/13/50/144201350.db2.gz IXUGBKKYTPRGDI-QFBILLFUSA-N 2 1 325.456 3.233 20 0 EGADMP C[N@@H+](CC(c1ccccc1)c1ccccc1)C1CCN(CCO)CC1 ZINC000351481540 144267181 /nfs/dbraw/zinc/26/71/81/144267181.db2.gz ZPJQJCSDOBWJIX-UHFFFAOYSA-N 2 1 338.495 3.207 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2sc(C)nc2C)CC1 ZINC000122077713 152388524 /nfs/dbraw/zinc/38/85/24/152388524.db2.gz DDOJUBUHEUTDHQ-UHFFFAOYSA-N 2 1 339.549 3.330 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1CCCCNc1cc[nH+]cc1Br ZINC000341559214 155354128 /nfs/dbraw/zinc/35/41/28/155354128.db2.gz FBHABQHOMJSUSA-CYBMUJFWSA-N 2 1 326.282 3.333 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNc1cc[nH+]cc1Br ZINC000341559214 155354130 /nfs/dbraw/zinc/35/41/30/155354130.db2.gz FBHABQHOMJSUSA-CYBMUJFWSA-N 2 1 326.282 3.333 20 0 EGADMP Clc1c[nH+]ccc1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192226864 153247204 /nfs/dbraw/zinc/24/72/04/153247204.db2.gz LJKHJCROTJFPAS-INIZCTEOSA-N 2 1 331.847 3.438 20 0 EGADMP Clc1c[nH+]ccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192226864 153247207 /nfs/dbraw/zinc/24/72/07/153247207.db2.gz LJKHJCROTJFPAS-INIZCTEOSA-N 2 1 331.847 3.438 20 0 EGADMP CC(C)CC(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192737394 153255598 /nfs/dbraw/zinc/25/55/98/153255598.db2.gz SNJUBYSCNLSOQN-YQQQUEKLSA-N 2 1 329.488 3.386 20 0 EGADMP CC(C)CC(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192737394 153255600 /nfs/dbraw/zinc/25/56/00/153255600.db2.gz SNJUBYSCNLSOQN-YQQQUEKLSA-N 2 1 329.488 3.386 20 0 EGADMP CC(C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1F ZINC000337339239 154292037 /nfs/dbraw/zinc/29/20/37/154292037.db2.gz REIAKLYXJIEFEV-UHFFFAOYSA-N 2 1 335.511 3.452 20 0 EGADMP C[C@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)[N@H+]1CCCC[C@H]1C ZINC000337347062 154297923 /nfs/dbraw/zinc/29/79/23/154297923.db2.gz XDWYFGPERWRORJ-HZPDHXFCSA-N 2 1 332.492 3.133 20 0 EGADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CC1CCC(C)(C)CC1 ZINC000337360595 154306611 /nfs/dbraw/zinc/30/66/11/154306611.db2.gz FICRFBSCYYSABD-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CC1CCC(C)(C)CC1 ZINC000337360595 154306614 /nfs/dbraw/zinc/30/66/14/154306614.db2.gz FICRFBSCYYSABD-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CSc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346847490 156163675 /nfs/dbraw/zinc/16/36/75/156163675.db2.gz PCPMBTZCFIFCOR-BPNCWPANSA-N 2 1 341.318 3.340 20 0 EGADMP CSc1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346847490 156163679 /nfs/dbraw/zinc/16/36/79/156163679.db2.gz PCPMBTZCFIFCOR-BPNCWPANSA-N 2 1 341.318 3.340 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000347007567 156244521 /nfs/dbraw/zinc/24/45/21/156244521.db2.gz QTZBQDBFWWRFPP-WCQYABFASA-N 2 1 334.357 3.326 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000347007567 156244526 /nfs/dbraw/zinc/24/45/26/156244526.db2.gz QTZBQDBFWWRFPP-WCQYABFASA-N 2 1 334.357 3.326 20 0 EGADMP CCOC1CC2(C1)CCN(Cc1nc3c(s1)C[N@H+](C(C)C)CC3)C2 ZINC000348870523 156269080 /nfs/dbraw/zinc/26/90/80/156269080.db2.gz SXPKMXQAGZEZPE-UHFFFAOYSA-N 2 1 349.544 3.301 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccsc1Cl ZINC000349064790 156340785 /nfs/dbraw/zinc/34/07/85/156340785.db2.gz WRMXACWESQIBEA-OAHLLOKOSA-N 2 1 329.941 3.249 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000349147932 156367328 /nfs/dbraw/zinc/36/73/28/156367328.db2.gz ZYOHPBKCFCWCQO-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000349147932 156367331 /nfs/dbraw/zinc/36/73/31/156367331.db2.gz ZYOHPBKCFCWCQO-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000349147932 156367335 /nfs/dbraw/zinc/36/73/35/156367335.db2.gz ZYOHPBKCFCWCQO-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C2CC2)C2CCC(C)CC2)CC1 ZINC000114455407 162233312 /nfs/dbraw/zinc/23/33/12/162233312.db2.gz SYIIMKDOSZBRHC-UHFFFAOYSA-N 2 1 335.536 3.019 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000125560431 162277679 /nfs/dbraw/zinc/27/76/79/162277679.db2.gz JGGQAJKEJCDNON-UHFFFAOYSA-N 2 1 346.906 3.443 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248600553 163018710 /nfs/dbraw/zinc/01/87/10/163018710.db2.gz UYOPORWZIGBLDX-AOIWGVFYSA-N 2 1 343.515 3.106 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248600553 163018712 /nfs/dbraw/zinc/01/87/12/163018712.db2.gz UYOPORWZIGBLDX-AOIWGVFYSA-N 2 1 343.515 3.106 20 0 EGADMP O[C@H](C[NH2+]Cc1ccc(Sc2ccccc2)cc1)C[NH+]1CCCC1 ZINC000338332339 163214281 /nfs/dbraw/zinc/21/42/81/163214281.db2.gz SMCARGRQZDZYSC-GOSISDBHSA-N 2 1 342.508 3.384 20 0 EGADMP C[N@@H+](CCc1cccc(NC(=O)C2CC[NH+](C3CC3)CC2)c1)C1CC1 ZINC000338810123 163354423 /nfs/dbraw/zinc/35/44/23/163354423.db2.gz AUZDVDTVJKCQKW-UHFFFAOYSA-N 2 1 341.499 3.136 20 0 EGADMP C[C@H](CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)OCc1ccccc1 ZINC000354727741 166018744 /nfs/dbraw/zinc/01/87/44/166018744.db2.gz HFORTDAZCYJCME-CWJKEVGVSA-N 2 1 346.515 3.165 20 0 EGADMP C[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000343767873 164030211 /nfs/dbraw/zinc/03/02/11/164030211.db2.gz IAPMVIUQKMNWBE-QWFCFKBJSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344031856 164087519 /nfs/dbraw/zinc/08/75/19/164087519.db2.gz DCINZIQEFOVZQG-CQSZACIVSA-N 2 1 329.891 3.355 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC000350331354 165031582 /nfs/dbraw/zinc/03/15/82/165031582.db2.gz QIZGORMAUBKJBN-HUUCEWRRSA-N 2 1 326.431 3.459 20 0 EGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC000350331354 165031586 /nfs/dbraw/zinc/03/15/86/165031586.db2.gz QIZGORMAUBKJBN-HUUCEWRRSA-N 2 1 326.431 3.459 20 0 EGADMP CCN(C[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1)CC(F)(F)F ZINC000351327386 165097228 /nfs/dbraw/zinc/09/72/28/165097228.db2.gz KVJXCJIHUGJDPJ-HOTGVXAUSA-N 2 1 335.458 3.067 20 0 EGADMP CCN(C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1)CC(F)(F)F ZINC000351327386 165097229 /nfs/dbraw/zinc/09/72/29/165097229.db2.gz KVJXCJIHUGJDPJ-HOTGVXAUSA-N 2 1 335.458 3.067 20 0 EGADMP CCN(C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1)CC(F)(F)F ZINC000351327386 165097235 /nfs/dbraw/zinc/09/72/35/165097235.db2.gz KVJXCJIHUGJDPJ-HOTGVXAUSA-N 2 1 335.458 3.067 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000351591371 165101467 /nfs/dbraw/zinc/10/14/67/165101467.db2.gz DKXYZQPBRIUFSZ-IRXDYDNUSA-N 2 1 344.421 3.447 20 0 EGADMP CC(C)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000351591371 165101471 /nfs/dbraw/zinc/10/14/71/165101471.db2.gz DKXYZQPBRIUFSZ-IRXDYDNUSA-N 2 1 344.421 3.447 20 0 EGADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000355594760 166255371 /nfs/dbraw/zinc/25/53/71/166255371.db2.gz WQEFPGDZJDXTRH-SFHVURJKSA-N 2 1 346.519 3.121 20 0 EGADMP CC(C)OC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355780066 166306787 /nfs/dbraw/zinc/30/67/87/166306787.db2.gz IADXPNHKUVTQLA-OAQYLSRUSA-N 2 1 344.499 3.316 20 0 EGADMP CC(C)OC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355780066 166306789 /nfs/dbraw/zinc/30/67/89/166306789.db2.gz IADXPNHKUVTQLA-OAQYLSRUSA-N 2 1 344.499 3.316 20 0 EGADMP CC(C)OC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355780066 166306792 /nfs/dbraw/zinc/30/67/92/166306792.db2.gz IADXPNHKUVTQLA-OAQYLSRUSA-N 2 1 344.499 3.316 20 0 EGADMP CC(C)OC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355780066 166306796 /nfs/dbraw/zinc/30/67/96/166306796.db2.gz IADXPNHKUVTQLA-OAQYLSRUSA-N 2 1 344.499 3.316 20 0 EGADMP CC[C@@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C ZINC000359176576 167088684 /nfs/dbraw/zinc/08/86/84/167088684.db2.gz OKKZWSKUTMGBEZ-LPHOPBHVSA-N 2 1 331.504 3.017 20 0 EGADMP FC(F)(F)c1cccc([C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)c1 ZINC000359191023 167091123 /nfs/dbraw/zinc/09/11/23/167091123.db2.gz NYFQSOYYGXAOPB-KRWDZBQOSA-N 2 1 342.405 3.468 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cn1 ZINC000359224527 167100820 /nfs/dbraw/zinc/10/08/20/167100820.db2.gz FAYMTGYWIJKIDC-HNAYVOBHSA-N 2 1 343.446 3.028 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)cn1 ZINC000359224527 167100821 /nfs/dbraw/zinc/10/08/21/167100821.db2.gz FAYMTGYWIJKIDC-HNAYVOBHSA-N 2 1 343.446 3.028 20 0 EGADMP CC(C)(C)OC1CC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000359240976 167104334 /nfs/dbraw/zinc/10/43/34/167104334.db2.gz ZFTJSPZVTYVWGN-GPJFCIFZSA-N 2 1 346.515 3.079 20 0 EGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2occc2C(=O)OC)CC1 ZINC000359865623 167252113 /nfs/dbraw/zinc/25/21/13/167252113.db2.gz AXUWXEQXHRFZSL-UHFFFAOYSA-N 2 1 336.476 3.400 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000365803051 168045049 /nfs/dbraw/zinc/04/50/49/168045049.db2.gz WOWDHEHGIWTVCH-JOCHJYFZSA-N 2 1 347.462 3.317 20 0 EGADMP CC[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000366951321 168160683 /nfs/dbraw/zinc/16/06/83/168160683.db2.gz IVVZQEISAWXYGF-PMACEKPBSA-N 2 1 326.488 3.373 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2COc3ccccc3[C@@H]2O)cc1 ZINC000367997174 168294213 /nfs/dbraw/zinc/29/42/13/168294213.db2.gz KTLCGWIPUHFUMN-JBYOLUDKSA-N 2 1 349.434 3.326 20 0 EGADMP C[C@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000165295849 226119068 /nfs/dbraw/zinc/11/90/68/226119068.db2.gz SJAGLPAOXLZZBI-GOSISDBHSA-N 2 1 347.522 3.154 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)CO[C@@H]2CCOC2)cc1 ZINC000166464634 226160741 /nfs/dbraw/zinc/16/07/41/226160741.db2.gz OKUROIQLZXJHJD-QMTMVMCOSA-N 2 1 329.444 3.025 20 0 EGADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000121443508 221845443 /nfs/dbraw/zinc/84/54/43/221845443.db2.gz WSFHIWZWYHSTDA-JKSUJKDBSA-N 2 1 331.460 3.204 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000124090206 222375533 /nfs/dbraw/zinc/37/55/33/222375533.db2.gz QOQVVJFNPHFCKV-HXUWFJFHSA-N 2 1 337.467 3.399 20 0 EGADMP Cc1ncc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000177490806 265258445 /nfs/dbraw/zinc/25/84/45/265258445.db2.gz JBVDNFXSWRDNJV-GASCZTMLSA-N 2 1 337.533 3.163 20 0 EGADMP C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000179426269 265377650 /nfs/dbraw/zinc/37/76/50/265377650.db2.gz RMWMNPGKCWVGLV-DOTOQJQBSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000179713858 265388685 /nfs/dbraw/zinc/38/86/85/265388685.db2.gz IERKFBWWALSUJB-QGZVFWFLSA-N 2 1 342.487 3.033 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000179713858 265388690 /nfs/dbraw/zinc/38/86/90/265388690.db2.gz IERKFBWWALSUJB-QGZVFWFLSA-N 2 1 342.487 3.033 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000250121761 266262177 /nfs/dbraw/zinc/26/21/77/266262177.db2.gz VKOYWZVIPGRYMP-VURPSTOHSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000250121761 266262180 /nfs/dbraw/zinc/26/21/80/266262180.db2.gz VKOYWZVIPGRYMP-VURPSTOHSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000250121761 266262183 /nfs/dbraw/zinc/26/21/83/266262183.db2.gz VKOYWZVIPGRYMP-VURPSTOHSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000250121761 266262185 /nfs/dbraw/zinc/26/21/85/266262185.db2.gz VKOYWZVIPGRYMP-VURPSTOHSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000250121761 266262188 /nfs/dbraw/zinc/26/21/88/266262188.db2.gz VKOYWZVIPGRYMP-VURPSTOHSA-N 2 1 329.532 3.359 20 0 EGADMP COc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc(OC)c1OC ZINC000271047566 266595533 /nfs/dbraw/zinc/59/55/33/266595533.db2.gz SGFUYSSGEFDJOL-UHFFFAOYSA-N 2 1 336.476 3.017 20 0 EGADMP COc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc(OC)c1OC ZINC000271047566 266595535 /nfs/dbraw/zinc/59/55/35/266595535.db2.gz SGFUYSSGEFDJOL-UHFFFAOYSA-N 2 1 336.476 3.017 20 0 EGADMP C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273227798 267001066 /nfs/dbraw/zinc/00/10/66/267001066.db2.gz FHYWDGMRJWPSEW-APWZRJJASA-N 2 1 328.500 3.407 20 0 EGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000274824134 267292709 /nfs/dbraw/zinc/29/27/09/267292709.db2.gz XCQLCMWDZSYLBL-INIZCTEOSA-N 2 1 333.520 3.310 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000359103295 274392736 /nfs/dbraw/zinc/39/27/36/274392736.db2.gz HGNKGHWCVOPKRC-XLIONFOSSA-N 2 1 338.499 3.290 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000359103295 274392738 /nfs/dbraw/zinc/39/27/38/274392738.db2.gz HGNKGHWCVOPKRC-XLIONFOSSA-N 2 1 338.499 3.290 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000340583170 274861622 /nfs/dbraw/zinc/86/16/22/274861622.db2.gz ILKMHOGNZKWCCX-AWEZNQCLSA-N 2 1 338.224 3.370 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000095422259 275049876 /nfs/dbraw/zinc/04/98/76/275049876.db2.gz MQIZFJNWHJYANY-MJGOQNOKSA-N 2 1 344.499 3.259 20 0 EGADMP c1cc2c(nc[nH+]c2N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000378293326 275064910 /nfs/dbraw/zinc/06/49/10/275064910.db2.gz LQFKNSCJZJTYDE-UHFFFAOYSA-N 2 1 347.466 3.450 20 0 EGADMP c1cc2c(nc[nH+]c2N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000378293326 275064912 /nfs/dbraw/zinc/06/49/12/275064912.db2.gz LQFKNSCJZJTYDE-UHFFFAOYSA-N 2 1 347.466 3.450 20 0 EGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000271895976 275239457 /nfs/dbraw/zinc/23/94/57/275239457.db2.gz FSEKNYNKVUUDLS-NYVOZVTQSA-N 2 1 336.479 3.099 20 0 EGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000271895976 275239459 /nfs/dbraw/zinc/23/94/59/275239459.db2.gz FSEKNYNKVUUDLS-NYVOZVTQSA-N 2 1 336.479 3.099 20 0 EGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000271895976 275239461 /nfs/dbraw/zinc/23/94/61/275239461.db2.gz FSEKNYNKVUUDLS-NYVOZVTQSA-N 2 1 336.479 3.099 20 0 EGADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271919381 275241531 /nfs/dbraw/zinc/24/15/31/275241531.db2.gz ZUHPFKVQQKGJBW-CYBMUJFWSA-N 2 1 328.485 3.426 20 0 EGADMP Fc1cc(Cl)cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000275022527 275249930 /nfs/dbraw/zinc/24/99/30/275249930.db2.gz UAVAODLGNTVUEK-CYBMUJFWSA-N 2 1 326.843 3.070 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCO[C@@H]1CCCCO1 ZINC000278595824 275257563 /nfs/dbraw/zinc/25/75/63/275257563.db2.gz DQFYIULACZETTH-MISYRCLQSA-N 2 1 332.488 3.030 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCO[C@@H]1CCCCO1 ZINC000278595824 275257565 /nfs/dbraw/zinc/25/75/65/275257565.db2.gz DQFYIULACZETTH-MISYRCLQSA-N 2 1 332.488 3.030 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282744542 275666595 /nfs/dbraw/zinc/66/65/95/275666595.db2.gz NIKGAFDSOPNEDH-GOSISDBHSA-N 2 1 333.863 3.226 20 0 EGADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1Oc1ccccc1 ZINC000284185250 275780454 /nfs/dbraw/zinc/78/04/54/275780454.db2.gz FYEBMXXXLIQDFH-CGTJXYLNSA-N 2 1 325.456 3.281 20 0 EGADMP CCC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(OC)cc1 ZINC000128265743 276025227 /nfs/dbraw/zinc/02/52/27/276025227.db2.gz BRAXHEKXUCQNSH-HXUWFJFHSA-N 2 1 333.520 3.154 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2nccc3ccccc32)CC1 ZINC000289533506 276354188 /nfs/dbraw/zinc/35/41/88/276354188.db2.gz BIBWGJQKGRZTNV-MRXNPFEDSA-N 2 1 327.472 3.386 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000252528034 278281020 /nfs/dbraw/zinc/28/10/20/278281020.db2.gz DYRJVBKATGPLBN-ZIFCJYIRSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000252528034 278281022 /nfs/dbraw/zinc/28/10/22/278281022.db2.gz DYRJVBKATGPLBN-ZIFCJYIRSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000252528034 278281023 /nfs/dbraw/zinc/28/10/23/278281023.db2.gz DYRJVBKATGPLBN-ZIFCJYIRSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000355548278 279154149 /nfs/dbraw/zinc/15/41/49/279154149.db2.gz QUGNPKBPACDTDZ-HBFSDRIKSA-N 2 1 345.531 3.449 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCNc3ccccc32)C[C@H](C)O1 ZINC000192767323 288160199 /nfs/dbraw/zinc/16/01/99/288160199.db2.gz BVJYENXRGCNXMQ-FUHIMQAGSA-N 2 1 331.504 3.412 20 0 EGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000177697019 279754458 /nfs/dbraw/zinc/75/44/58/279754458.db2.gz MJNUEVFNMRVDTD-XGHQBKJUSA-N 2 1 345.506 3.303 20 0 EGADMP CC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000359169471 280079337 /nfs/dbraw/zinc/07/93/37/280079337.db2.gz CFZDJJTWQLYSPB-QKLQHJQFSA-N 2 1 345.531 3.121 20 0 EGADMP C[NH+](C)CC1(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCCC1 ZINC000339520206 289092916 /nfs/dbraw/zinc/09/29/16/289092916.db2.gz XMZSJTVNDUJPQP-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000056621299 307343948 /nfs/dbraw/zinc/34/39/48/307343948.db2.gz GYISEHRPXDCLST-IXDOHACOSA-N 2 1 346.519 3.236 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(OC)cc2C)CC1 ZINC000414075748 309059361 /nfs/dbraw/zinc/05/93/61/309059361.db2.gz XRVGTROYKXIKOF-GOSISDBHSA-N 2 1 333.520 3.072 20 0 EGADMP OC1CC[NH+](CCC[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414084139 309060059 /nfs/dbraw/zinc/06/00/59/309060059.db2.gz XLBKPCDHAVNUIH-SJLPKXTDSA-N 2 1 336.907 3.413 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000414170087 309064505 /nfs/dbraw/zinc/06/45/05/309064505.db2.gz BPNJSEODLUSDCB-DLBZAZTESA-N 2 1 329.488 3.196 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)nn1C ZINC000414289652 309070873 /nfs/dbraw/zinc/07/08/73/309070873.db2.gz RRCHJTXXCREERB-INIZCTEOSA-N 2 1 326.488 3.393 20 0 EGADMP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)nn1C ZINC000414289652 309070874 /nfs/dbraw/zinc/07/08/74/309070874.db2.gz RRCHJTXXCREERB-INIZCTEOSA-N 2 1 326.488 3.393 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000248390026 308001671 /nfs/dbraw/zinc/00/16/71/308001671.db2.gz TUFHYFJKTZPSSK-SJORKVTESA-N 2 1 339.524 3.098 20 0 EGADMP CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248600061 308006684 /nfs/dbraw/zinc/00/66/84/308006684.db2.gz UVYCSXSHNMBMRG-BZSNNMDCSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248600061 308006685 /nfs/dbraw/zinc/00/66/85/308006685.db2.gz UVYCSXSHNMBMRG-BZSNNMDCSA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@@]1(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CCC[NH2+]1 ZINC000248712098 308009725 /nfs/dbraw/zinc/00/97/25/308009725.db2.gz JMPVINRBURNLNK-UZLBHIALSA-N 2 1 329.488 3.389 20 0 EGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2conc2C)CC1 ZINC000293442981 308131277 /nfs/dbraw/zinc/13/12/77/308131277.db2.gz BYRBPTXIXDYAEN-OAHLLOKOSA-N 2 1 346.450 3.115 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000293530234 308139264 /nfs/dbraw/zinc/13/92/64/308139264.db2.gz VCOYWCYGRIWSGO-MRXNPFEDSA-N 2 1 331.504 3.159 20 0 EGADMP C[N@H+]1CCC[C@]2(CCN(Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000293550225 308140936 /nfs/dbraw/zinc/14/09/36/308140936.db2.gz DYIJCFJPGIPWCP-KRWDZBQOSA-N 2 1 328.378 3.345 20 0 EGADMP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000293566189 308142466 /nfs/dbraw/zinc/14/24/66/308142466.db2.gz XTPROPQKUFASHD-QINHECLXSA-N 2 1 332.463 3.367 20 0 EGADMP Cc1ncsc1CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000294702503 308247699 /nfs/dbraw/zinc/24/76/99/308247699.db2.gz BIRFRLDEJFVJCL-UHFFFAOYSA-N 2 1 347.503 3.430 20 0 EGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N2CCCC2=O)cc1 ZINC000295130182 308295082 /nfs/dbraw/zinc/29/50/82/308295082.db2.gz YKCMQHWTHDMGFX-NMACRGETSA-N 2 1 327.472 3.089 20 0 EGADMP CC[N@H+]1CC[C@@H](NCc2c(Cl)cccc2-n2ccnc2)[C@H](C)C1 ZINC000296070540 308390457 /nfs/dbraw/zinc/39/04/57/308390457.db2.gz PVWUFSQXZJATBL-RHSMWYFYSA-N 3 1 332.879 3.346 20 0 EGADMP C[C@H](CC[NH3+])NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414717646 309097191 /nfs/dbraw/zinc/09/71/91/309097191.db2.gz UQQFVCHDBBDCFF-OAHLLOKOSA-N 2 1 332.492 3.310 20 0 EGADMP Fc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OCC(F)(F)F ZINC000414766851 309099602 /nfs/dbraw/zinc/09/96/02/309099602.db2.gz ILVOSVDBKAPGGO-OKILXGFUSA-N 2 1 346.368 3.198 20 0 EGADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000414772218 309099877 /nfs/dbraw/zinc/09/98/77/309099877.db2.gz BKWDFIMBUYKBJG-ZWKOTPCHSA-N 2 1 325.456 3.472 20 0 EGADMP CCCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414773086 309099910 /nfs/dbraw/zinc/09/99/10/309099910.db2.gz CWQZMECIOQCCMJ-MSOLQXFVSA-N 2 1 332.488 3.306 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cnc(-c3cccs3)s2)CC12CCOCC2 ZINC000414782824 309100797 /nfs/dbraw/zinc/10/07/97/309100797.db2.gz PBJCLKLOLAEPSO-ZDUSSCGKSA-N 2 1 349.525 3.059 20 0 EGADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414787719 309101126 /nfs/dbraw/zinc/10/11/26/309101126.db2.gz VXLDJJKJICNICF-GJZGRUSLSA-N 2 1 340.414 3.118 20 0 EGADMP Cc1nn2c(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c(C(C)C)nc2s1 ZINC000414789230 309101510 /nfs/dbraw/zinc/10/15/10/309101510.db2.gz YDNBXEGCIGWQNY-HUUCEWRRSA-N 2 1 347.532 3.044 20 0 EGADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414831148 309104511 /nfs/dbraw/zinc/10/45/11/309104511.db2.gz CBMOZANDHVDJOY-AWEZNQCLSA-N 2 1 340.393 3.354 20 0 EGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414838317 309104865 /nfs/dbraw/zinc/10/48/65/309104865.db2.gz KHCCQIDTCHHJKL-GXTWGEPZSA-N 2 1 341.883 3.029 20 0 EGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414898958 309108227 /nfs/dbraw/zinc/10/82/27/309108227.db2.gz BGGLRGYWCJTOBA-GOSISDBHSA-N 2 1 346.906 3.433 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H](C)CCC[NH3+])c1 ZINC000414916199 309109008 /nfs/dbraw/zinc/10/90/08/309109008.db2.gz OZWOAIRJEWUNLZ-OAHLLOKOSA-N 2 1 343.475 3.304 20 0 EGADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414936542 309110131 /nfs/dbraw/zinc/11/01/31/309110131.db2.gz WRJHRCCUCVUONM-QAPCUYQASA-N 2 1 331.504 3.334 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[NH2+]1 ZINC000414961402 309111633 /nfs/dbraw/zinc/11/16/33/309111633.db2.gz ZAPYRMJAZMLWBK-LPHOPBHVSA-N 2 1 340.515 3.459 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[NH2+]C1CC1 ZINC000415072997 309118333 /nfs/dbraw/zinc/11/83/33/309118333.db2.gz XTUXBSXJYOPKRR-UHFFFAOYSA-N 2 1 332.879 3.374 20 0 EGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCc3ccc4c(c3)OCCO4)CC[NH2+]2)cc1 ZINC000415088979 309119477 /nfs/dbraw/zinc/11/94/77/309119477.db2.gz VZDKXGNWQYBVDD-OALUTQOASA-N 2 1 338.451 3.083 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CCCO1 ZINC000415109097 309120866 /nfs/dbraw/zinc/12/08/66/309120866.db2.gz NOQURSHCCCJSBG-LJQANCHMSA-N 2 1 346.421 3.146 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CCCO1 ZINC000415109097 309120867 /nfs/dbraw/zinc/12/08/67/309120867.db2.gz NOQURSHCCCJSBG-LJQANCHMSA-N 2 1 346.421 3.146 20 0 EGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000415109035 309120916 /nfs/dbraw/zinc/12/09/16/309120916.db2.gz NFHHRSNQVLDGIX-RDJZCZTQSA-N 2 1 326.843 3.197 20 0 EGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000415124520 309122015 /nfs/dbraw/zinc/12/20/15/309122015.db2.gz KKPWNCSEHACBTB-NVXWUHKLSA-N 2 1 347.484 3.121 20 0 EGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000415124905 309122044 /nfs/dbraw/zinc/12/20/44/309122044.db2.gz KKPWNCSEHACBTB-RDJZCZTQSA-N 2 1 347.484 3.121 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C[C@H]1C[NH3+] ZINC000415126845 309122453 /nfs/dbraw/zinc/12/24/53/309122453.db2.gz MLOGIUKKJCJGGX-QFBILLFUSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@H]1C[NH3+] ZINC000415132834 309122872 /nfs/dbraw/zinc/12/28/72/309122872.db2.gz URALULKFWGGXPM-SJLPKXTDSA-N 2 1 325.456 3.077 20 0 EGADMP CC[NH2+]Cc1cccc(NC(=O)NCC[N@H+]2CCCC(C)(C)C2)c1 ZINC000415912025 309147967 /nfs/dbraw/zinc/14/79/67/309147967.db2.gz FXVMVOXMQWXJCZ-UHFFFAOYSA-N 2 1 332.492 3.040 20 0 EGADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000415930776 309149498 /nfs/dbraw/zinc/14/94/98/309149498.db2.gz KWZMEYKOYMGSMA-GOSISDBHSA-N 2 1 346.519 3.428 20 0 EGADMP C[N@@H+](CCOCC1CCC1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419225505 309261714 /nfs/dbraw/zinc/26/17/14/309261714.db2.gz HFJJVKQZROKBRF-UHFFFAOYSA-N 2 1 331.504 3.437 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420304310 309280761 /nfs/dbraw/zinc/28/07/61/309280761.db2.gz IOEJVPXNYBHJDQ-ZFWWWQNUSA-N 2 1 330.863 3.275 20 0 EGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000420307376 309280815 /nfs/dbraw/zinc/28/08/15/309280815.db2.gz IITXYAAMYXUUQL-GFCCVEGCSA-N 2 1 345.256 3.028 20 0 EGADMP CC(C)OC(=O)CC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420309566 309281060 /nfs/dbraw/zinc/28/10/60/309281060.db2.gz LQMNBRQEBSPOCM-MRXNPFEDSA-N 2 1 336.501 3.034 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@H](C)OC[C@H]2c2ccccc2)cc1 ZINC000420313296 309281277 /nfs/dbraw/zinc/28/12/77/309281277.db2.gz XXAMRKVCDCWZQZ-SCWSEQNSSA-N 2 1 340.467 3.200 20 0 EGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@H](C)OC[C@H]2c2ccccc2)cc1 ZINC000420313296 309281278 /nfs/dbraw/zinc/28/12/78/309281278.db2.gz XXAMRKVCDCWZQZ-SCWSEQNSSA-N 2 1 340.467 3.200 20 0 EGADMP C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321223 309282028 /nfs/dbraw/zinc/28/20/28/309282028.db2.gz CNZLNWIBAPQNGP-KBAYOESNSA-N 2 1 340.471 3.043 20 0 EGADMP COc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000420320296 309282070 /nfs/dbraw/zinc/28/20/70/309282070.db2.gz BDDNEHGBNOVWAN-DLBZAZTESA-N 2 1 341.455 3.172 20 0 EGADMP COc1cccc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000420323424 309282359 /nfs/dbraw/zinc/28/23/59/309282359.db2.gz UGCZVZPRTIBEGG-XLIONFOSSA-N 2 1 332.488 3.066 20 0 EGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420333132 309282860 /nfs/dbraw/zinc/28/28/60/309282860.db2.gz SLRAPOJYYUOGAM-DZGCQCFKSA-N 2 1 340.414 3.036 20 0 EGADMP [NH3+]C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000420368332 309284452 /nfs/dbraw/zinc/28/44/52/309284452.db2.gz NPHYTNCPPDNHRK-MRXNPFEDSA-N 2 1 348.878 3.430 20 0 EGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000420377003 309284980 /nfs/dbraw/zinc/28/49/80/309284980.db2.gz KKRSVOFKUHUTQT-KSSFIOAISA-N 2 1 347.484 3.121 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1cccc(Cl)c1 ZINC000420380496 309285417 /nfs/dbraw/zinc/28/54/17/309285417.db2.gz BYJAMBZFMXDRFI-WMLDXEAASA-N 2 1 335.879 3.133 20 0 EGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000420381810 309285601 /nfs/dbraw/zinc/28/56/01/309285601.db2.gz PCXLORXNUZQWAQ-IRXDYDNUSA-N 2 1 347.484 3.121 20 0 EGADMP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420393833 309286136 /nfs/dbraw/zinc/28/61/36/309286136.db2.gz KBNWBJPLRNDUKH-UXHICEINSA-N 2 1 343.515 3.036 20 0 EGADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420393833 309286137 /nfs/dbraw/zinc/28/61/37/309286137.db2.gz KBNWBJPLRNDUKH-UXHICEINSA-N 2 1 343.515 3.036 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cccc(C3CC3)c2)CCN1C1CC[NH+](C)CC1 ZINC000421357047 309319893 /nfs/dbraw/zinc/31/98/93/309319893.db2.gz MVGZWKFDPBUGFY-KRWDZBQOSA-N 2 1 327.516 3.164 20 0 EGADMP C[NH+](C)C1CCC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000421369514 309321056 /nfs/dbraw/zinc/32/10/56/309321056.db2.gz HUOMDNNRHKQALN-UHFFFAOYSA-N 3 1 347.522 3.295 20 0 EGADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000421835032 309342552 /nfs/dbraw/zinc/34/25/52/309342552.db2.gz PILLMGCJEITKBP-HOCLYGCPSA-N 2 1 340.895 3.236 20 0 EGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000421839788 309342695 /nfs/dbraw/zinc/34/26/95/309342695.db2.gz XYEHXMXVHQINBY-ZDUSSCGKSA-N 2 1 328.859 3.111 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(OCc3ccccn3)c2)C[C@H]1C[NH3+] ZINC000422560167 309361678 /nfs/dbraw/zinc/36/16/78/309361678.db2.gz FYNVZCMERSQKAF-ZIFCJYIRSA-N 2 1 339.483 3.466 20 0 EGADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@H]1C[NH3+] ZINC000422561449 309361682 /nfs/dbraw/zinc/36/16/82/309361682.db2.gz LGMLVVGSWUPQKJ-ZHALLVOQSA-N 2 1 339.483 3.466 20 0 EGADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C[C@H]1C[NH3+] ZINC000422641856 309363086 /nfs/dbraw/zinc/36/30/86/309363086.db2.gz YMZCEYFOZBFFNM-FRRDWIJNSA-N 2 1 341.858 3.113 20 0 EGADMP COCCC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc(Br)cc1 ZINC000423276589 309393486 /nfs/dbraw/zinc/39/34/86/309393486.db2.gz OPVWBOKUSXYIEK-CVEARBPZSA-N 2 1 343.309 3.490 20 0 EGADMP COc1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1OC1CCCC1 ZINC000422726483 309365268 /nfs/dbraw/zinc/36/52/68/309365268.db2.gz DZIFJOHGQMLPKL-YJBOKZPZSA-N 2 1 332.488 3.494 20 0 EGADMP CC1CCN([C@H](C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c2cccs2)CC1 ZINC000422747364 309366221 /nfs/dbraw/zinc/36/62/21/309366221.db2.gz PYZOIUCBIJAUJU-OKZBNKHCSA-N 2 1 335.561 3.499 20 0 EGADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)C[C@H]2CCCCC[NH2+]2)[C@H](C)C1 ZINC000422746372 309366303 /nfs/dbraw/zinc/36/63/03/309366303.db2.gz NTSRSXDQFNSSIK-WTGUMLROSA-N 2 1 339.568 3.024 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)[C@H](C)C1 ZINC000422746372 309366304 /nfs/dbraw/zinc/36/63/04/309366304.db2.gz NTSRSXDQFNSSIK-WTGUMLROSA-N 3 1 339.568 3.024 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)[C@H](C)C1 ZINC000422746372 309366305 /nfs/dbraw/zinc/36/63/05/309366305.db2.gz NTSRSXDQFNSSIK-WTGUMLROSA-N 3 1 339.568 3.024 20 0 EGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422832762 309371026 /nfs/dbraw/zinc/37/10/26/309371026.db2.gz FYBLMLSKEPWGLR-GSEOLPGOSA-N 3 1 347.572 3.470 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422832762 309371027 /nfs/dbraw/zinc/37/10/27/309371027.db2.gz FYBLMLSKEPWGLR-GSEOLPGOSA-N 3 1 347.572 3.470 20 0 EGADMP c1csc(C[N@H+]2CCC[C@H](CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422832762 309371028 /nfs/dbraw/zinc/37/10/28/309371028.db2.gz FYBLMLSKEPWGLR-GSEOLPGOSA-N 2 1 347.572 3.470 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@H](CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422832762 309371029 /nfs/dbraw/zinc/37/10/29/309371029.db2.gz FYBLMLSKEPWGLR-GSEOLPGOSA-N 2 1 347.572 3.470 20 0 EGADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)o1 ZINC000422885992 309374051 /nfs/dbraw/zinc/37/40/51/309374051.db2.gz ZVYWGMNTXUBWEY-OKYOBFRVSA-N 2 1 331.504 3.235 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000422888188 309374354 /nfs/dbraw/zinc/37/43/54/309374354.db2.gz BZCAXTWPPANVHP-MISYRCLQSA-N 2 1 343.515 3.251 20 0 EGADMP C[C@H](C[C@H]1COCC[NH2+]1)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422917033 309376000 /nfs/dbraw/zinc/37/60/00/309376000.db2.gz FHTOMIIYDGBDQG-UWVAXJGDSA-N 2 1 331.504 3.240 20 0 EGADMP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c3ccccc3)C1)CC2 ZINC000422939313 309377089 /nfs/dbraw/zinc/37/70/89/309377089.db2.gz LWBPFZZXEHZHKS-AABGKKOBSA-N 2 1 338.499 3.404 20 0 EGADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422965426 309378640 /nfs/dbraw/zinc/37/86/40/309378640.db2.gz OOKBKMNWNNSJIT-FXAWDEMLSA-N 2 1 326.488 3.234 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423005990 309380667 /nfs/dbraw/zinc/38/06/67/309380667.db2.gz TZODSXTVGKHUQT-PMXSJFBMSA-N 3 1 329.532 3.394 20 0 EGADMP C[C@H](CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[NH+]1CCCCC1 ZINC000423035677 309382205 /nfs/dbraw/zinc/38/22/05/309382205.db2.gz SGOKMHWKXVSHCZ-SLYNCCJLSA-N 3 1 343.515 3.096 20 0 EGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423050757 309383172 /nfs/dbraw/zinc/38/31/72/309383172.db2.gz LYYWVMVQJHZYPW-FOIQADDNSA-N 2 1 339.458 3.408 20 0 EGADMP Cn1c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc2cc(Cl)ccc21 ZINC000423062855 309383960 /nfs/dbraw/zinc/38/39/60/309383960.db2.gz NWOXVARZEVCYGP-RBSFLKMASA-N 2 1 332.879 3.237 20 0 EGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000423067438 309384140 /nfs/dbraw/zinc/38/41/40/309384140.db2.gz HCABGAVBBYJCPJ-BQJUDKOJSA-N 2 1 330.516 3.248 20 0 EGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000423079161 309384862 /nfs/dbraw/zinc/38/48/62/309384862.db2.gz XLNFMTSPHCCRCM-ZGXWSNOMSA-N 2 1 326.415 3.026 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000423135088 309387759 /nfs/dbraw/zinc/38/77/59/309387759.db2.gz SMRUPNCXTGEAGB-BDJLRTHQSA-N 2 1 333.382 3.301 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423202324 309390358 /nfs/dbraw/zinc/39/03/58/309390358.db2.gz AQZGSJIQLICYIB-MBDNFAEBSA-N 2 1 341.543 3.266 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NC[C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423202324 309390359 /nfs/dbraw/zinc/39/03/59/309390359.db2.gz AQZGSJIQLICYIB-MBDNFAEBSA-N 2 1 341.543 3.266 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NC[C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423202324 309390360 /nfs/dbraw/zinc/39/03/60/309390360.db2.gz AQZGSJIQLICYIB-MBDNFAEBSA-N 2 1 341.543 3.266 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000423214908 309390844 /nfs/dbraw/zinc/39/08/44/309390844.db2.gz LYSNGQSYWJMCIO-RWMBFGLXSA-N 2 1 341.293 3.496 20 0 EGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)CCC2 ZINC000423214999 309390925 /nfs/dbraw/zinc/39/09/25/309390925.db2.gz MFPHLKLLSOQDLK-QLFBSQMISA-N 2 1 334.460 3.120 20 0 EGADMP [NH3+]C[C@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)C1CCCCC1 ZINC000423260695 309392738 /nfs/dbraw/zinc/39/27/38/309392738.db2.gz IDAYZTGHCXTLMP-SFHVURJKSA-N 2 1 337.458 3.431 20 0 EGADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000423270306 309393464 /nfs/dbraw/zinc/39/34/64/309393464.db2.gz HRLLHYBDGRBNSR-BMIGLBTASA-N 2 1 329.257 3.484 20 0 EGADMP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ncc(Br)cc1F ZINC000423284619 309393890 /nfs/dbraw/zinc/39/38/90/309393890.db2.gz XDFLEVCRTJNRNH-KWBADKCTSA-N 2 1 330.245 3.151 20 0 EGADMP [NH3+][C@H](C[NH2+][C@H]1CCSc2ccc(Br)cc21)C1CC1 ZINC000423323286 309395232 /nfs/dbraw/zinc/39/52/32/309395232.db2.gz OVJCRATXSZNSKR-OLZOCXBDSA-N 2 1 327.291 3.313 20 0 EGADMP COc1ccc(C[C@H]([NH2+]CC2([NH3+])CCC2)c2ccc(OC)cc2)cc1 ZINC000423332306 309395479 /nfs/dbraw/zinc/39/54/79/309395479.db2.gz QUHSEXDAWVIKCP-FQEVSTJZSA-N 2 1 340.467 3.459 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423345536 309396347 /nfs/dbraw/zinc/39/63/47/309396347.db2.gz XPUREZLUWMSOKC-HXUWFJFHSA-N 2 1 345.531 3.441 20 0 EGADMP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423357608 309396887 /nfs/dbraw/zinc/39/68/87/309396887.db2.gz IQQOAZSAHIHTMY-HIFRSBDPSA-N 2 1 339.277 3.395 20 0 EGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc4c(c3)C[NH2+]C4)CC2)C1 ZINC000423384943 309397977 /nfs/dbraw/zinc/39/79/77/309397977.db2.gz LDYMNMCDXAGNPU-IIBYNOLFSA-N 3 1 327.516 3.423 20 0 EGADMP C[C@H](NC[C@H]1[NH2+]CCCC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423384181 309397987 /nfs/dbraw/zinc/39/79/87/309397987.db2.gz JYIHJWCYIVGVRC-YSIASYRMSA-N 2 1 329.532 3.265 20 0 EGADMP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423522197 309404749 /nfs/dbraw/zinc/40/47/49/309404749.db2.gz RJYDREHTOSDGTG-JSGCOSHPSA-N 2 1 349.475 3.287 20 0 EGADMP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423532848 309405346 /nfs/dbraw/zinc/40/53/46/309405346.db2.gz WACFBXCLZTUWBD-OAHLLOKOSA-N 2 1 339.277 3.395 20 0 EGADMP CC[NH2+]CC1CC[NH+]([C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000430596262 309612338 /nfs/dbraw/zinc/61/23/38/309612338.db2.gz ZUIFTDWXNXMBFE-SFHVURJKSA-N 2 1 349.906 3.157 20 0 EGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000449029450 310030738 /nfs/dbraw/zinc/03/07/38/310030738.db2.gz OVUVYUCKAZSJTJ-QGZVFWFLSA-N 2 1 340.467 3.003 20 0 EGADMP Cc1c([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cnn1C ZINC000449072038 310034742 /nfs/dbraw/zinc/03/47/42/310034742.db2.gz DKZQRJVNPBSVLS-IAGOWNOFSA-N 2 1 340.515 3.475 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)Cc2coc3ccccc23)CC1 ZINC000449079230 310035335 /nfs/dbraw/zinc/03/53/35/310035335.db2.gz NWWDSGMXOUSLJR-GOSISDBHSA-N 2 1 343.515 3.371 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccncc1F ZINC000449082922 310035702 /nfs/dbraw/zinc/03/57/02/310035702.db2.gz QVFVADSZBJPTGW-UHFFFAOYSA-N 2 1 331.435 3.231 20 0 EGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000449235102 310046731 /nfs/dbraw/zinc/04/67/31/310046731.db2.gz SURYASBAEUJSQN-WAOWUJCRSA-N 2 1 329.532 3.154 20 0 EGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCN(C)[C@@H]2C)CC1 ZINC000449235102 310046732 /nfs/dbraw/zinc/04/67/32/310046732.db2.gz SURYASBAEUJSQN-WAOWUJCRSA-N 2 1 329.532 3.154 20 0 EGADMP CC[N@H+]1CC[C@H](NCC2([NH+](C)Cc3ccccc3)CCC2)[C@@H](C)C1 ZINC000449472845 310064903 /nfs/dbraw/zinc/06/49/03/310064903.db2.gz GHZQQSKHCIXAFK-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CC[C@H](NCC2([N@H+](C)Cc3ccccc3)CCC2)[C@@H](C)C1 ZINC000449472845 310064904 /nfs/dbraw/zinc/06/49/04/310064904.db2.gz GHZQQSKHCIXAFK-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP CC[NH+]1CC[C@H](NCC2([N@@H+](C)Cc3ccccc3)CCC2)[C@@H](C)C1 ZINC000449472845 310064905 /nfs/dbraw/zinc/06/49/05/310064905.db2.gz GHZQQSKHCIXAFK-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]CC2(N(C)Cc3ccccc3)CCC2)[C@@H](C)C1 ZINC000449472845 310064906 /nfs/dbraw/zinc/06/49/06/310064906.db2.gz GHZQQSKHCIXAFK-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(N(C)Cc3ccccc3)CCC2)[C@@H](C)C1 ZINC000449472845 310064907 /nfs/dbraw/zinc/06/49/07/310064907.db2.gz GHZQQSKHCIXAFK-ICSRJNTNSA-N 2 1 329.532 3.361 20 0 EGADMP CCCc1ccc2[nH+]ccc(N3CCC[N@H+]([C@@H](C)CO)CC3)c2c1 ZINC000450478101 310125116 /nfs/dbraw/zinc/12/51/16/310125116.db2.gz ZIKZRMSDLZYPAB-INIZCTEOSA-N 2 1 327.472 3.080 20 0 EGADMP CC(C)Oc1ccc2[nH+]ccc(N3CCN(c4[nH]cc[nH+]4)CC3)c2c1 ZINC000450482873 310125426 /nfs/dbraw/zinc/12/54/26/310125426.db2.gz HSOFPWBGXRFECU-UHFFFAOYSA-N 2 1 337.427 3.072 20 0 EGADMP C[C@@H]([NH2+]CCN(C)Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450723344 310139390 /nfs/dbraw/zinc/13/93/90/310139390.db2.gz COIQIJSFHXZVCD-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H](NCC[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000450723344 310139391 /nfs/dbraw/zinc/13/93/91/310139391.db2.gz COIQIJSFHXZVCD-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H](NCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000450723344 310139392 /nfs/dbraw/zinc/13/93/92/310139392.db2.gz COIQIJSFHXZVCD-UYAOXDASSA-N 2 1 329.532 3.361 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000451527342 310183264 /nfs/dbraw/zinc/18/32/64/310183264.db2.gz DLIMFVHYZDUJLD-UYAOXDASSA-N 2 1 343.515 3.014 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000451527342 310183265 /nfs/dbraw/zinc/18/32/65/310183265.db2.gz DLIMFVHYZDUJLD-UYAOXDASSA-N 2 1 343.515 3.014 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@H](C)c3ccccc3)C2)CC1 ZINC000451527342 310183266 /nfs/dbraw/zinc/18/32/66/310183266.db2.gz DLIMFVHYZDUJLD-UYAOXDASSA-N 2 1 343.515 3.014 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@H](C)c3ccccc3)C2)CC1 ZINC000451527342 310183267 /nfs/dbraw/zinc/18/32/67/310183267.db2.gz DLIMFVHYZDUJLD-UYAOXDASSA-N 2 1 343.515 3.014 20 0 EGADMP CCO[C@@H]1CC[N@@H+](C[C@@H](C)C[NH+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000451551488 310185501 /nfs/dbraw/zinc/18/55/01/310185501.db2.gz XYHREWHEYLRTFD-YCKXBTPASA-N 2 1 340.552 3.116 20 0 EGADMP CCO[C@@H]1CC[NH+](C[C@@H](C)C[N@@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000451551488 310185502 /nfs/dbraw/zinc/18/55/02/310185502.db2.gz XYHREWHEYLRTFD-YCKXBTPASA-N 2 1 340.552 3.116 20 0 EGADMP CCO[C@@H]1CC[NH+](C[C@@H](C)C[N@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000451551488 310185503 /nfs/dbraw/zinc/18/55/03/310185503.db2.gz XYHREWHEYLRTFD-YCKXBTPASA-N 2 1 340.552 3.116 20 0 EGADMP C[N@H+](CCC[NH+]1CCCCC1)C1CCN(CCC(F)(F)F)CC1 ZINC000452113359 310213132 /nfs/dbraw/zinc/21/31/32/310213132.db2.gz HKBYYIDAPLBWKF-UHFFFAOYSA-N 2 1 335.458 3.211 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCCC1)C1CCN(CCC(F)(F)F)CC1 ZINC000452113359 310213133 /nfs/dbraw/zinc/21/31/33/310213133.db2.gz HKBYYIDAPLBWKF-UHFFFAOYSA-N 2 1 335.458 3.211 20 0 EGADMP c1cnn(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000453062397 310255289 /nfs/dbraw/zinc/25/52/89/310255289.db2.gz DOYXNERHHNCYNY-HKBOAZHASA-N 2 1 338.499 3.306 20 0 EGADMP Cc1nccn1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453098142 310257624 /nfs/dbraw/zinc/25/76/24/310257624.db2.gz ZVRWWOPQIJIEDB-PWRODBHTSA-N 2 1 338.499 3.224 20 0 EGADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453105789 310258109 /nfs/dbraw/zinc/25/81/09/310258109.db2.gz CMDZYHBPECLKGS-CJSSEVFESA-N 2 1 348.556 3.132 20 0 EGADMP CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccncc1 ZINC000453144344 310260710 /nfs/dbraw/zinc/26/07/10/310260710.db2.gz VQLKIHPCFCUNAS-GOSISDBHSA-N 2 1 325.460 3.198 20 0 EGADMP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000453374551 310273577 /nfs/dbraw/zinc/27/35/77/310273577.db2.gz OZNBIYPRQCPBLX-UYMUPBKUSA-N 2 1 328.500 3.300 20 0 EGADMP Cn1ccnc1[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(F)c1 ZINC000453408737 310275575 /nfs/dbraw/zinc/27/55/75/310275575.db2.gz SUYFBNFWOYMABN-GOSISDBHSA-N 2 1 330.451 3.113 20 0 EGADMP COc1ccc(Br)c(C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453597008 310283592 /nfs/dbraw/zinc/28/35/92/310283592.db2.gz MUKKEAYJINVZDZ-UHFFFAOYSA-N 2 1 341.293 3.422 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455872154 310380548 /nfs/dbraw/zinc/38/05/48/310380548.db2.gz YPSIEALRUYBKOU-KXBFYZLASA-N 2 1 346.519 3.477 20 0 EGADMP CCC[N@@H+](CC)CCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455937444 310382810 /nfs/dbraw/zinc/38/28/10/310382810.db2.gz SMPPAUJZQILYPK-GOSISDBHSA-N 2 1 332.492 3.089 20 0 EGADMP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C12CCC2 ZINC000459773813 310574566 /nfs/dbraw/zinc/57/45/66/310574566.db2.gz IWUMCXMUHZQNNJ-PMACEKPBSA-N 2 1 346.490 3.380 20 0 EGADMP C[C@H](NC(=O)CC[N@H+]1CCCC[C@@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000487205972 311015799 /nfs/dbraw/zinc/01/57/99/311015799.db2.gz WFGCMXSJWWVMQX-ZWOKBUDYSA-N 2 1 331.504 3.059 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1)C1CC1 ZINC000487472178 311025350 /nfs/dbraw/zinc/02/53/50/311025350.db2.gz WAWGXJUAFIOYCV-AZUAARDMSA-N 2 1 343.515 3.274 20 0 EGADMP COCCSCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000487919368 311042666 /nfs/dbraw/zinc/04/26/66/311042666.db2.gz PRFUMAPPWQBKDE-MSOLQXFVSA-N 2 1 328.566 3.343 20 0 EGADMP COCCSCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000487919368 311042667 /nfs/dbraw/zinc/04/26/67/311042667.db2.gz PRFUMAPPWQBKDE-MSOLQXFVSA-N 2 1 328.566 3.343 20 0 EGADMP COCCSCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000487919368 311042669 /nfs/dbraw/zinc/04/26/69/311042669.db2.gz PRFUMAPPWQBKDE-MSOLQXFVSA-N 2 1 328.566 3.343 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCSC[C@H](C)C2)CC1 ZINC000488396432 311063521 /nfs/dbraw/zinc/06/35/21/311063521.db2.gz KQDSXBMJNNGTIO-QGZVFWFLSA-N 2 1 333.545 3.013 20 0 EGADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)CS1 ZINC000488419269 311064722 /nfs/dbraw/zinc/06/47/22/311064722.db2.gz ZXUMXUALIJLDMF-UXHICEINSA-N 2 1 347.572 3.054 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1 ZINC000489360342 311102069 /nfs/dbraw/zinc/10/20/69/311102069.db2.gz YBAPHPDXVQSMNU-FQEVSTJZSA-N 2 1 345.531 3.331 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1 ZINC000489360342 311102071 /nfs/dbraw/zinc/10/20/71/311102071.db2.gz YBAPHPDXVQSMNU-FQEVSTJZSA-N 2 1 345.531 3.331 20 0 EGADMP C[C@H](C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)NC(=O)OC(C)(C)C ZINC000492439218 311250838 /nfs/dbraw/zinc/25/08/38/311250838.db2.gz VNALULDCYQQRQZ-OAGGEKHMSA-N 2 1 339.524 3.142 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000492769102 311288929 /nfs/dbraw/zinc/28/89/29/311288929.db2.gz LZFLGOZDOZZTPK-DOTOQJQBSA-N 2 1 337.508 3.016 20 0 EGADMP C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506474291 312049897 /nfs/dbraw/zinc/04/98/97/312049897.db2.gz MFNWMHHLHGEZOF-WCIQWLHISA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000507485105 312074747 /nfs/dbraw/zinc/07/47/47/312074747.db2.gz KRWFVGYKAYSDIZ-JOZSIVFUSA-N 2 1 330.516 3.284 20 0 EGADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000507521210 312075818 /nfs/dbraw/zinc/07/58/18/312075818.db2.gz WHHKEZIOXYTMDB-YMQHIKHWSA-N 2 1 328.500 3.302 20 0 EGADMP C[C@H]([NH2+][C@@H](CO)CC1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511029320 312153267 /nfs/dbraw/zinc/15/32/67/312153267.db2.gz MKHZSPPBXLGSRP-DZFGPLHGSA-N 2 1 330.516 3.428 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000514935005 312255287 /nfs/dbraw/zinc/25/52/87/312255287.db2.gz XFSOFFPXDNPDBS-GOSISDBHSA-N 2 1 333.520 3.167 20 0 EGADMP C[N@@H+](C[C@H](O)CNCc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000516276616 312318696 /nfs/dbraw/zinc/31/86/96/312318696.db2.gz GRFVHOOCFZCKSH-GOSISDBHSA-N 2 1 326.440 3.024 20 0 EGADMP CN(C[C@H](O)C[NH2+]Cc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000516276616 312318698 /nfs/dbraw/zinc/31/86/98/312318698.db2.gz GRFVHOOCFZCKSH-GOSISDBHSA-N 2 1 326.440 3.024 20 0 EGADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c(OC2CCCC2)c1 ZINC000519138263 312441645 /nfs/dbraw/zinc/44/16/45/312441645.db2.gz NAAMVFWEOFFYPE-CVEARBPZSA-N 2 1 332.488 3.494 20 0 EGADMP CC(C)[C@@H]1C[N@@H+](CCCn2ccnc2)CCN1Cc1ccccc1 ZINC000528640463 313135494 /nfs/dbraw/zinc/13/54/94/313135494.db2.gz OWMBQOXMTPCXBD-FQEVSTJZSA-N 2 1 326.488 3.116 20 0 EGADMP CC(C)[C@@H]1CN(CCCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000528640463 313135498 /nfs/dbraw/zinc/13/54/98/313135498.db2.gz OWMBQOXMTPCXBD-FQEVSTJZSA-N 2 1 326.488 3.116 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000530714373 313576246 /nfs/dbraw/zinc/57/62/46/313576246.db2.gz RKLYQTYWSQSPIO-OALUTQOASA-N 2 1 345.535 3.067 20 0 EGADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000533361980 313899216 /nfs/dbraw/zinc/89/92/16/313899216.db2.gz NSGLALUEHBRQND-KSZLIROESA-N 2 1 335.561 3.451 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC000535811494 314077005 /nfs/dbraw/zinc/07/70/05/314077005.db2.gz UATQZRYCZNMFSW-UHFFFAOYSA-N 2 1 345.531 3.075 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H](Nc2ccc(N(CC)CC)nc2)[C@@H](C)C1 ZINC000537455264 314182399 /nfs/dbraw/zinc/18/23/99/314182399.db2.gz BPROTGPKNGJDFC-PKOBYXMFSA-N 2 1 348.535 3.477 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](C)CCc3ccccc3)C2)CC1 ZINC000539405789 314311983 /nfs/dbraw/zinc/31/19/83/314311983.db2.gz MVVKHJQZNBPPSN-IFMALSPDSA-N 2 1 343.559 3.356 20 0 EGADMP C[NH+](C)Cc1cccc(C[NH2+][C@@H](c2ccccc2)c2cncnc2)c1 ZINC000544581566 314704242 /nfs/dbraw/zinc/70/42/42/314704242.db2.gz LKJDOKJQOJIMMW-NRFANRHFSA-N 2 1 332.451 3.417 20 0 EGADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000548634924 315029001 /nfs/dbraw/zinc/02/90/01/315029001.db2.gz JEUFDMPGTJKJOI-UHZRXMQZSA-N 2 1 328.500 3.036 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548717052 315038720 /nfs/dbraw/zinc/03/87/20/315038720.db2.gz JOBCSSVVXOFPDP-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548717052 315038722 /nfs/dbraw/zinc/03/87/22/315038722.db2.gz JOBCSSVVXOFPDP-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548717052 315038724 /nfs/dbraw/zinc/03/87/24/315038724.db2.gz JOBCSSVVXOFPDP-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1CCC12CCOCC2)c1ccccc1 ZINC000548794058 315048201 /nfs/dbraw/zinc/04/82/01/315048201.db2.gz SMEXQSOGNYQHFF-WOJBJXKFSA-N 2 1 346.515 3.245 20 0 EGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1CCC12CCOCC2)c1ccccc1 ZINC000548794058 315048203 /nfs/dbraw/zinc/04/82/03/315048203.db2.gz SMEXQSOGNYQHFF-WOJBJXKFSA-N 2 1 346.515 3.245 20 0 EGADMP CC(C[NH+]1CCCO[C@@H](C(C)C)C1)C[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000550189001 315119568 /nfs/dbraw/zinc/11/95/68/315119568.db2.gz PJVBVIPWDDILDF-WOJBJXKFSA-N 2 1 340.552 3.116 20 0 EGADMP COCC[NH+]1CCC([NH2+]CC[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000550856548 315136541 /nfs/dbraw/zinc/13/65/41/315136541.db2.gz KWPDHADMVJWUNZ-QGZVFWFLSA-N 2 1 344.421 3.423 20 0 EGADMP Cc1ccc2nc(C[NH2+]CCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cn2c1 ZINC000551200093 315144720 /nfs/dbraw/zinc/14/47/20/315144720.db2.gz KLTOQVROVMZQJA-HDICACEKSA-N 2 1 328.504 3.490 20 0 EGADMP CC(C)[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552046589 315193400 /nfs/dbraw/zinc/19/34/00/315193400.db2.gz LSCQLAXDPHLJCV-UWHLTILDSA-N 2 1 330.516 3.284 20 0 EGADMP CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000554401710 315315840 /nfs/dbraw/zinc/31/58/40/315315840.db2.gz GXTHXYDTOWDQDD-UIFIKXQLSA-N 2 1 331.548 3.418 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+]1CCCCC1 ZINC000554843376 315352213 /nfs/dbraw/zinc/35/22/13/315352213.db2.gz NSADPNNEPYFYAB-FQEVSTJZSA-N 2 1 329.532 3.363 20 0 EGADMP Cc1c(Cl)cccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000555309197 315378450 /nfs/dbraw/zinc/37/84/50/315378450.db2.gz WAZPYKQJIGDJLU-UHFFFAOYSA-N 2 1 344.846 3.048 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000563354296 316004960 /nfs/dbraw/zinc/00/49/60/316004960.db2.gz QOFHPYICEPOAPW-MJGOQNOKSA-N 2 1 331.435 3.344 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000563354296 316004964 /nfs/dbraw/zinc/00/49/64/316004964.db2.gz QOFHPYICEPOAPW-MJGOQNOKSA-N 2 1 331.435 3.344 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[NH2+]Cc4ccccc43)c2C1 ZINC000564730492 316196204 /nfs/dbraw/zinc/19/62/04/316196204.db2.gz MIOIKCVXMOMWCA-GOSISDBHSA-N 2 1 335.451 3.238 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[NH2+]Cc4ccccc43)c2C1 ZINC000564730492 316196206 /nfs/dbraw/zinc/19/62/06/316196206.db2.gz MIOIKCVXMOMWCA-GOSISDBHSA-N 2 1 335.451 3.238 20 0 EGADMP CCCNC(=O)CCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000565156418 316276878 /nfs/dbraw/zinc/27/68/78/316276878.db2.gz JQGUDYNJKLZGMJ-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP CCCNC(=O)CCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000565156418 316276883 /nfs/dbraw/zinc/27/68/83/316276883.db2.gz JQGUDYNJKLZGMJ-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP CCCNC(=O)CCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000565156418 316276888 /nfs/dbraw/zinc/27/68/88/316276888.db2.gz JQGUDYNJKLZGMJ-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP CCCNC(=O)CCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000565156418 316276893 /nfs/dbraw/zinc/27/68/93/316276893.db2.gz JQGUDYNJKLZGMJ-ICSRJNTNSA-N 2 1 345.531 3.278 20 0 EGADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000565167453 316279678 /nfs/dbraw/zinc/27/96/78/316279678.db2.gz XYQNDMUZGHDPOW-UHFFFAOYSA-N 2 1 340.240 3.386 20 0 EGADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000565167453 316279681 /nfs/dbraw/zinc/27/96/81/316279681.db2.gz XYQNDMUZGHDPOW-UHFFFAOYSA-N 2 1 340.240 3.386 20 0 EGADMP Fc1ccccc1-c1cnc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000565308495 316307727 /nfs/dbraw/zinc/30/77/27/316307727.db2.gz VRDZKAWBYTYXJA-LSDHHAIUSA-N 2 1 329.419 3.302 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccccc2)[C@H]1c1cccs1 ZINC000565594126 316344499 /nfs/dbraw/zinc/34/44/99/316344499.db2.gz JJCLKEANPLHGKM-HBFSDRIKSA-N 2 1 344.524 3.324 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccccc2)[C@H]1c1cccs1 ZINC000565594126 316344502 /nfs/dbraw/zinc/34/45/02/316344502.db2.gz JJCLKEANPLHGKM-HBFSDRIKSA-N 2 1 344.524 3.324 20 0 EGADMP Cc1noc(C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc2)n1 ZINC000565634560 316349076 /nfs/dbraw/zinc/34/90/76/316349076.db2.gz DAGCITRWDKFEGT-IBGZPJMESA-N 2 1 340.471 3.126 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000565699016 316357928 /nfs/dbraw/zinc/35/79/28/316357928.db2.gz NYVIFRWUSWGLNR-QGZVFWFLSA-N 2 1 348.288 3.336 20 0 EGADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)n2)c2ccccc21 ZINC000566062542 316409498 /nfs/dbraw/zinc/40/94/98/316409498.db2.gz CHIBPVNYNXODNS-ZIAGYGMSSA-N 2 1 337.345 3.214 20 0 EGADMP C[NH+](C)Cc1ccccc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000570772823 317104720 /nfs/dbraw/zinc/10/47/20/317104720.db2.gz WGPFUFYTPYEKHK-KRWDZBQOSA-N 2 1 329.488 3.341 20 0 EGADMP Clc1ccc(-c2noc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000570842251 317116228 /nfs/dbraw/zinc/11/62/28/317116228.db2.gz CKHMUSZEYIAWSR-HNNXBMFYSA-N 2 1 346.862 3.212 20 0 EGADMP [NH3+]Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000571147820 317156554 /nfs/dbraw/zinc/15/65/54/317156554.db2.gz ZFZVFYJZSYYHOW-GOSISDBHSA-N 2 1 330.476 3.064 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3CCCCCC3)CC2)CC1 ZINC000571224854 317168709 /nfs/dbraw/zinc/16/87/09/317168709.db2.gz LXVJFNSJICGUTE-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1cccc(C)c1OC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000572325459 317321382 /nfs/dbraw/zinc/32/13/82/317321382.db2.gz FLGWIMZJDOPFEK-OALUTQOASA-N 2 1 348.531 3.142 20 0 EGADMP Cc1cccc(C)c1OC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000572325459 317321383 /nfs/dbraw/zinc/32/13/83/317321383.db2.gz FLGWIMZJDOPFEK-OALUTQOASA-N 2 1 348.531 3.142 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000177902912 323347869 /nfs/dbraw/zinc/34/78/69/323347869.db2.gz KVNMSQFZPDPWPK-IOASZLSFSA-N 2 1 330.394 3.403 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000178102438 323351229 /nfs/dbraw/zinc/35/12/29/323351229.db2.gz PXYAKPIXDISOMC-IIDMSEBBSA-N 2 1 332.488 3.460 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000178102438 323351234 /nfs/dbraw/zinc/35/12/34/323351234.db2.gz PXYAKPIXDISOMC-IIDMSEBBSA-N 2 1 332.488 3.460 20 0 EGADMP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cnn1-c1ccc(F)cc1 ZINC000178414914 323356608 /nfs/dbraw/zinc/35/66/08/323356608.db2.gz WCAQUHSDUJMHIC-OAHLLOKOSA-N 2 1 330.451 3.456 20 0 EGADMP COC1(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000384179848 324259179 /nfs/dbraw/zinc/25/91/79/324259179.db2.gz ZBKQJPYTMRQUCU-SLFFLAALSA-N 2 1 328.500 3.446 20 0 EGADMP CN(C(=O)C[C@@H]1CCCC[C@H]1[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388578996 324276336 /nfs/dbraw/zinc/27/63/36/324276336.db2.gz FNVUXBSUYBQZDQ-SLFFLAALSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000578763869 325016265 /nfs/dbraw/zinc/01/62/65/325016265.db2.gz PEVVDAGLESNBHO-MJGOQNOKSA-N 2 1 331.504 3.095 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000578795661 325019921 /nfs/dbraw/zinc/01/99/21/325019921.db2.gz RFXXJZJBIOZRGF-LJQANCHMSA-N 2 1 329.488 3.412 20 0 EGADMP CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000580315410 325234009 /nfs/dbraw/zinc/23/40/09/325234009.db2.gz HKDATTWUEVBIST-HUUCEWRRSA-N 2 1 330.451 3.017 20 0 EGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)CC3 ZINC000580545615 325265029 /nfs/dbraw/zinc/26/50/29/325265029.db2.gz KRXHIEFXKFZNEJ-JKSUJKDBSA-N 2 1 341.499 3.354 20 0 EGADMP CCCc1nc(C)c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000581125317 325332738 /nfs/dbraw/zinc/33/27/38/325332738.db2.gz LOJGZQDAUXUNCU-UZLBHIALSA-N 2 1 341.455 3.281 20 0 EGADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCCc3occc32)c2cccs2)CC1 ZINC000581409370 325358422 /nfs/dbraw/zinc/35/84/22/325358422.db2.gz YMQHKOWNKIURML-IRXDYDNUSA-N 2 1 345.512 3.297 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000430632297 458473619 /nfs/dbraw/zinc/47/36/19/458473619.db2.gz XYAFDHGBTKAOFH-NHYWBVRUSA-N 2 1 327.831 3.009 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000430632297 458473625 /nfs/dbraw/zinc/47/36/25/458473625.db2.gz XYAFDHGBTKAOFH-NHYWBVRUSA-N 2 1 327.831 3.009 20 0 EGADMP CCC[NH+](CCC)CCCNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000590354580 459120501 /nfs/dbraw/zinc/12/05/01/459120501.db2.gz VQYJAYGLWOMMTA-UHFFFAOYSA-N 2 1 340.556 3.014 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(SC)cc2)CC1 ZINC000173319327 455264921 /nfs/dbraw/zinc/26/49/21/455264921.db2.gz YULHVTHSDFIUIK-QGZVFWFLSA-N 2 1 335.561 3.477 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@]2(C)CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000181006318 455275824 /nfs/dbraw/zinc/27/58/24/455275824.db2.gz LXGUEJDYJWISKE-QFUCXCTJSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000173391554 455277394 /nfs/dbraw/zinc/27/73/94/455277394.db2.gz RVBOQAYIIYTZLF-OAHLLOKOSA-N 2 1 343.437 3.384 20 0 EGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000183377680 455285130 /nfs/dbraw/zinc/28/51/30/455285130.db2.gz CKJZUZBRRJMGCT-IRXDYDNUSA-N 2 1 348.487 3.011 20 0 EGADMP COC(=O)CCCC[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000600712682 460575180 /nfs/dbraw/zinc/57/51/80/460575180.db2.gz ZYZVTQIENAHJHZ-MOPGFXCFSA-N 2 1 332.488 3.002 20 0 EGADMP Cc1ncc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000081292647 453856597 /nfs/dbraw/zinc/85/65/97/453856597.db2.gz AGRNICYSIGHJCX-KRWDZBQOSA-N 2 1 326.488 3.392 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000076004924 453948386 /nfs/dbraw/zinc/94/83/86/453948386.db2.gz MFJITCOWHGENPA-OAHLLOKOSA-N 2 1 337.895 3.332 20 0 EGADMP CCO[C@H](C)c1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)cs1 ZINC000077172867 454071017 /nfs/dbraw/zinc/07/10/17/454071017.db2.gz QTSBWYBYNWUOIF-CQSZACIVSA-N 2 1 325.522 3.404 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000069754306 454141054 /nfs/dbraw/zinc/14/10/54/454141054.db2.gz ITMWVEOMCLGDLK-UHFFFAOYSA-N 2 1 341.434 3.313 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000089510715 454157376 /nfs/dbraw/zinc/15/73/76/454157376.db2.gz ODHWJNYIKMVRQV-MBOZVWFJSA-N 2 1 343.515 3.131 20 0 EGADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1OC(F)F ZINC000058061140 454162519 /nfs/dbraw/zinc/16/25/19/454162519.db2.gz IRZQEUMUZFFXHG-ZDUSSCGKSA-N 2 1 328.403 3.117 20 0 EGADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1OC(F)F ZINC000058061140 454162522 /nfs/dbraw/zinc/16/25/22/454162522.db2.gz IRZQEUMUZFFXHG-ZDUSSCGKSA-N 2 1 328.403 3.117 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1Br ZINC000070534414 454169211 /nfs/dbraw/zinc/16/92/11/454169211.db2.gz HHCQFGBXCIOUCL-GFCCVEGCSA-N 2 1 327.266 3.019 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000130334119 454190710 /nfs/dbraw/zinc/19/07/10/454190710.db2.gz ZBGPDFCWLWUXSK-DNVCBOLYSA-N 2 1 340.458 3.234 20 0 EGADMP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000130529107 454202785 /nfs/dbraw/zinc/20/27/85/454202785.db2.gz ZNXVOPSAXCVVJA-PXNSSMCTSA-N 2 1 345.531 3.263 20 0 EGADMP C[C@@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)[N@H+]1CCCC[C@@H]1C ZINC000046008053 454204994 /nfs/dbraw/zinc/20/49/94/454204994.db2.gz XDWYFGPERWRORJ-HOTGVXAUSA-N 2 1 332.492 3.133 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC000046991756 454312982 /nfs/dbraw/zinc/31/29/82/454312982.db2.gz JEZPAGHBIBRFRW-QGZVFWFLSA-N 2 1 349.519 3.363 20 0 EGADMP COc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1OC ZINC000061003130 454323467 /nfs/dbraw/zinc/32/34/67/454323467.db2.gz CDQBJJNQPQNMGC-UHFFFAOYSA-N 2 1 336.476 3.111 20 0 EGADMP Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000072718363 454333407 /nfs/dbraw/zinc/33/34/07/454333407.db2.gz DJVABRVBRHXRAA-SFHVURJKSA-N 2 1 329.488 3.131 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(N(C)C)n2)cc1 ZINC000090851473 454346240 /nfs/dbraw/zinc/34/62/40/454346240.db2.gz SJODFAMIPPIBCZ-OAHLLOKOSA-N 2 1 335.455 3.493 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000072866281 454354016 /nfs/dbraw/zinc/35/40/16/454354016.db2.gz UJRHGWYTRUYYSC-UHFFFAOYSA-N 2 1 334.508 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000072866281 454354018 /nfs/dbraw/zinc/35/40/18/454354018.db2.gz UJRHGWYTRUYYSC-UHFFFAOYSA-N 2 1 334.508 3.167 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)CC1 ZINC000096625363 454374794 /nfs/dbraw/zinc/37/47/94/454374794.db2.gz HTPDFTKSJLDTPD-UHFFFAOYSA-N 2 1 337.895 3.461 20 0 EGADMP O[C@H](C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1)C[NH+]1CCCC1 ZINC000091306298 454424890 /nfs/dbraw/zinc/42/48/90/454424890.db2.gz AHIYGFIEDFVIEA-RHSMWYFYSA-N 2 1 343.298 3.491 20 0 EGADMP OC1CC[NH+](CCC[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000091306435 454425004 /nfs/dbraw/zinc/42/50/04/454425004.db2.gz VXZUOUBEIBCQPZ-FQEVSTJZSA-N 2 1 334.479 3.493 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000133638701 454449835 /nfs/dbraw/zinc/44/98/35/454449835.db2.gz BCXTUSIMQMMGNE-VNHYZAJKSA-N 2 1 330.394 3.403 20 0 EGADMP CC1(C)CC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000098092992 454453703 /nfs/dbraw/zinc/45/37/03/454453703.db2.gz STNIEWTZJOZSJW-SFHVURJKSA-N 2 1 343.515 3.076 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[N@H+](C)C3)o2)cc1 ZINC000134047793 454496876 /nfs/dbraw/zinc/49/68/76/454496876.db2.gz OEONWTGUXRTZGO-HNNXBMFYSA-N 2 1 342.439 3.165 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](C)C3)o2)cc1 ZINC000134047793 454496880 /nfs/dbraw/zinc/49/68/80/454496880.db2.gz OEONWTGUXRTZGO-HNNXBMFYSA-N 2 1 342.439 3.165 20 0 EGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3cscn3)CC2)cc1 ZINC000134852808 454597670 /nfs/dbraw/zinc/59/76/70/454597670.db2.gz JGTIBEKIHZFXCV-UHFFFAOYSA-N 2 1 333.476 3.121 20 0 EGADMP COCCc1nc(C)c([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)s1 ZINC000092720758 454617537 /nfs/dbraw/zinc/61/75/37/454617537.db2.gz BGASEGBWIQQADD-CQSZACIVSA-N 2 1 325.522 3.167 20 0 EGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)CCC(C)C)CC1 ZINC000052246322 454664543 /nfs/dbraw/zinc/66/45/43/454664543.db2.gz CWHITMKEDCWLET-UHFFFAOYSA-N 2 1 345.531 3.054 20 0 EGADMP CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000106458558 454696088 /nfs/dbraw/zinc/69/60/88/454696088.db2.gz ZNXVOPSAXCVVJA-FXAWDEMLSA-N 2 1 345.531 3.263 20 0 EGADMP Fc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000106868612 454726071 /nfs/dbraw/zinc/72/60/71/454726071.db2.gz OZQKAOCPVYUVEA-CHWSQXEVSA-N 2 1 327.241 3.305 20 0 EGADMP Fc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000106868612 454726073 /nfs/dbraw/zinc/72/60/73/454726073.db2.gz OZQKAOCPVYUVEA-CHWSQXEVSA-N 2 1 327.241 3.305 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000106868558 454726164 /nfs/dbraw/zinc/72/61/64/454726164.db2.gz TWSALLDGZALKJH-ZIAGYGMSSA-N 2 1 339.277 3.174 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000106868558 454726166 /nfs/dbraw/zinc/72/61/66/454726166.db2.gz TWSALLDGZALKJH-ZIAGYGMSSA-N 2 1 339.277 3.174 20 0 EGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093769932 454734922 /nfs/dbraw/zinc/73/49/22/454734922.db2.gz KPILNNWBVZLDRT-HXUWFJFHSA-N 2 1 340.515 3.322 20 0 EGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093769932 454734925 /nfs/dbraw/zinc/73/49/25/454734925.db2.gz KPILNNWBVZLDRT-HXUWFJFHSA-N 2 1 340.515 3.322 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093769932 454734930 /nfs/dbraw/zinc/73/49/30/454734930.db2.gz KPILNNWBVZLDRT-HXUWFJFHSA-N 2 1 340.515 3.322 20 0 EGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093769932 454734936 /nfs/dbraw/zinc/73/49/36/454734936.db2.gz KPILNNWBVZLDRT-HXUWFJFHSA-N 2 1 340.515 3.322 20 0 EGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000124704967 454762544 /nfs/dbraw/zinc/76/25/44/454762544.db2.gz USWWWBZXQKOELI-QGZVFWFLSA-N 2 1 327.428 3.190 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000124704967 454762547 /nfs/dbraw/zinc/76/25/47/454762547.db2.gz USWWWBZXQKOELI-QGZVFWFLSA-N 2 1 327.428 3.190 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cncs3)CC2)oc1C ZINC000162742898 454798378 /nfs/dbraw/zinc/79/83/78/454798378.db2.gz NTIISGCTGFCFIG-ZDUSSCGKSA-N 2 1 334.489 3.311 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000163121125 454824048 /nfs/dbraw/zinc/82/40/48/454824048.db2.gz DGQASXUSFLNMHG-HXUWFJFHSA-N 2 1 327.472 3.344 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000163121125 454824050 /nfs/dbraw/zinc/82/40/50/454824050.db2.gz DGQASXUSFLNMHG-HXUWFJFHSA-N 2 1 327.472 3.344 20 0 EGADMP COc1ccc2oc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)cc2c1 ZINC000125689461 454839035 /nfs/dbraw/zinc/83/90/35/454839035.db2.gz NLMJGIQCJICVNC-HNNXBMFYSA-N 2 1 344.455 3.032 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C[C@@H]1C[NH3+] ZINC000163421365 454846501 /nfs/dbraw/zinc/84/65/01/454846501.db2.gz FJCAEHIYSLZMBS-OCCSQVGLSA-N 2 1 348.288 3.414 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C[C@@H]1C[NH3+] ZINC000163421365 454846506 /nfs/dbraw/zinc/84/65/06/454846506.db2.gz FJCAEHIYSLZMBS-OCCSQVGLSA-N 2 1 348.288 3.414 20 0 EGADMP C[NH+]1CCC([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000177321259 454851655 /nfs/dbraw/zinc/85/16/55/454851655.db2.gz LDENCZDVRJDQMA-UHFFFAOYSA-N 3 1 343.559 3.405 20 0 EGADMP CCOc1ccc(CN2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000153961270 454852195 /nfs/dbraw/zinc/85/21/95/454852195.db2.gz GLPJYKWKLAAEIW-KDURUIRLSA-N 2 1 345.531 3.076 20 0 EGADMP CCOc1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000153961270 454852197 /nfs/dbraw/zinc/85/21/97/454852197.db2.gz GLPJYKWKLAAEIW-KDURUIRLSA-N 2 1 345.531 3.076 20 0 EGADMP CCOc1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000153961270 454852199 /nfs/dbraw/zinc/85/21/99/454852199.db2.gz GLPJYKWKLAAEIW-KDURUIRLSA-N 2 1 345.531 3.076 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000153982363 454853743 /nfs/dbraw/zinc/85/37/43/454853743.db2.gz SZUKNCCRXVAHOE-FMNOIEFDSA-N 2 1 327.516 3.190 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000153982363 454853746 /nfs/dbraw/zinc/85/37/46/454853746.db2.gz SZUKNCCRXVAHOE-FMNOIEFDSA-N 2 1 327.516 3.190 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000163583342 454856958 /nfs/dbraw/zinc/85/69/58/454856958.db2.gz NHUAZXLZJRGYOA-DNVCBOLYSA-N 2 1 335.923 3.377 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC000163583342 454856961 /nfs/dbraw/zinc/85/69/61/454856961.db2.gz NHUAZXLZJRGYOA-DNVCBOLYSA-N 3 1 335.923 3.377 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1(C)CC1 ZINC000163969404 454870230 /nfs/dbraw/zinc/87/02/30/454870230.db2.gz FEYRKQNKGOIECN-KRWDZBQOSA-N 2 1 346.515 3.454 20 0 EGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1cccs1 ZINC000177602556 454882285 /nfs/dbraw/zinc/88/22/85/454882285.db2.gz MBDKUPXHQMKDEB-RDJZCZTQSA-N 2 1 349.544 3.122 20 0 EGADMP C[N@H+](Cc1cc(F)ccc1Br)CC1CC[NH+](C)CC1 ZINC000154685877 454918958 /nfs/dbraw/zinc/91/89/58/454918958.db2.gz GEYAONMPAFYLJH-UHFFFAOYSA-N 2 1 329.257 3.362 20 0 EGADMP CCc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)o1 ZINC000150988763 454922514 /nfs/dbraw/zinc/92/25/14/454922514.db2.gz MIDPLZRXOWJJOJ-UHFFFAOYSA-N 2 1 328.456 3.089 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000191505509 455492472 /nfs/dbraw/zinc/49/24/72/455492472.db2.gz VAVUKSNBCJEESH-KSZLIROESA-N 2 1 348.535 3.051 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000191505509 455492476 /nfs/dbraw/zinc/49/24/76/455492476.db2.gz VAVUKSNBCJEESH-KSZLIROESA-N 2 1 348.535 3.051 20 0 EGADMP C[N@H+](CC(=O)Nc1ccc(Oc2ccncc2)cc1)[C@@H]1CCSC1 ZINC000155218606 454975659 /nfs/dbraw/zinc/97/56/59/454975659.db2.gz PNPYOGFBAGIAAF-OAHLLOKOSA-N 2 1 343.452 3.250 20 0 EGADMP C[N@@H+](CC(=O)Nc1ccc(Oc2ccncc2)cc1)[C@@H]1CCSC1 ZINC000155218606 454975661 /nfs/dbraw/zinc/97/56/61/454975661.db2.gz PNPYOGFBAGIAAF-OAHLLOKOSA-N 2 1 343.452 3.250 20 0 EGADMP CC[C@H](CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1)[NH+]1CCCC1 ZINC000151657715 455013806 /nfs/dbraw/zinc/01/38/06/455013806.db2.gz SUAMFNPAGWLJDM-IEBWSBKVSA-N 2 1 333.520 3.152 20 0 EGADMP CCC[C@@H](CCc1ccccc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128403939 455052939 /nfs/dbraw/zinc/05/29/39/455052939.db2.gz MBOKYIWNANEECM-NRFANRHFSA-N 2 1 331.548 3.405 20 0 EGADMP Cc1ccc(C[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C(C)C)cc1 ZINC000128636196 455074198 /nfs/dbraw/zinc/07/41/98/455074198.db2.gz SHFMFDSYQLSLGW-OAQYLSRUSA-N 2 1 331.548 3.179 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)CCC2CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000156039382 455075234 /nfs/dbraw/zinc/07/52/34/455075234.db2.gz QMGBDIIWSGXTGR-VQIMIIECSA-N 2 1 349.544 3.027 20 0 EGADMP COc1cccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1OC(F)F ZINC000623654577 460661328 /nfs/dbraw/zinc/66/13/28/460661328.db2.gz CSUIYDJDAMJUGP-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP COc1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1OC(F)F ZINC000623654577 460661331 /nfs/dbraw/zinc/66/13/31/460661331.db2.gz CSUIYDJDAMJUGP-ZDUSSCGKSA-N 2 1 328.403 3.118 20 0 EGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000129062919 455096460 /nfs/dbraw/zinc/09/64/60/455096460.db2.gz VJZUPKAGDKLCCL-MNOVXSKESA-N 2 1 330.259 3.134 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000600974633 460662009 /nfs/dbraw/zinc/66/20/09/460662009.db2.gz QIBPIEMIACJCIK-IBGZPJMESA-N 2 1 329.488 3.485 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000600974633 460662014 /nfs/dbraw/zinc/66/20/14/460662014.db2.gz QIBPIEMIACJCIK-IBGZPJMESA-N 2 1 329.488 3.485 20 0 EGADMP C[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)c1cnccn1 ZINC000179955775 455105641 /nfs/dbraw/zinc/10/56/41/455105641.db2.gz GHVIRQFMGXUOIH-INIZCTEOSA-N 2 1 339.487 3.428 20 0 EGADMP CN(CC(=O)Nc1ccccc1C(C)(C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152376179 455109654 /nfs/dbraw/zinc/10/96/54/455109654.db2.gz UAIVUADQCWZPOW-MRXNPFEDSA-N 2 1 331.504 3.196 20 0 EGADMP CN(CCc1nc(-c2ccc(Cl)cc2)no1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152450278 455121522 /nfs/dbraw/zinc/12/15/22/455121522.db2.gz YZTHSQVLPKPMAX-CQSZACIVSA-N 2 1 348.878 3.206 20 0 EGADMP C[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)C[C@@H]1CCC[NH+](C)C1 ZINC000152450278 455121525 /nfs/dbraw/zinc/12/15/25/455121525.db2.gz YZTHSQVLPKPMAX-CQSZACIVSA-N 2 1 348.878 3.206 20 0 EGADMP C[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)C[C@@H]1CCC[NH+](C)C1 ZINC000152450278 455121527 /nfs/dbraw/zinc/12/15/27/455121527.db2.gz YZTHSQVLPKPMAX-CQSZACIVSA-N 2 1 348.878 3.206 20 0 EGADMP COc1sc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1Br ZINC000623655842 460664114 /nfs/dbraw/zinc/66/41/14/460664114.db2.gz HAVRXGAITZSGEH-NSHDSACASA-N 2 1 347.322 3.341 20 0 EGADMP COc1sc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1Br ZINC000623655842 460664115 /nfs/dbraw/zinc/66/41/15/460664115.db2.gz HAVRXGAITZSGEH-NSHDSACASA-N 2 1 347.322 3.341 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000180242472 455151425 /nfs/dbraw/zinc/15/14/25/455151425.db2.gz AZDGUGJJYYDGTC-KRWDZBQOSA-N 2 1 341.499 3.034 20 0 EGADMP C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182824077 455172235 /nfs/dbraw/zinc/17/22/35/455172235.db2.gz MMVYPVXLEVAAER-IMFGXOCKSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182824077 455172238 /nfs/dbraw/zinc/17/22/38/455172238.db2.gz MMVYPVXLEVAAER-IMFGXOCKSA-N 2 1 343.515 3.059 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000245442275 455301220 /nfs/dbraw/zinc/30/12/20/455301220.db2.gz WEXASNAYWQOLFT-CABCVRRESA-N 2 1 337.895 3.331 20 0 EGADMP CCC1(CC)CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000190413807 455310770 /nfs/dbraw/zinc/31/07/70/455310770.db2.gz GCCLSDXMBVTICW-UHFFFAOYSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)nc1 ZINC000181416461 455332304 /nfs/dbraw/zinc/33/23/04/455332304.db2.gz QBUBLUATBYPRRX-JQFCIGGWSA-N 2 1 337.895 3.154 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1(C)C ZINC000181740460 455378004 /nfs/dbraw/zinc/37/80/04/455378004.db2.gz OFLCKASBIXIPQD-ZWKOTPCHSA-N 2 1 349.519 3.297 20 0 EGADMP C[C@H](NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(F)c1F ZINC000181958057 455404712 /nfs/dbraw/zinc/40/47/12/455404712.db2.gz ITXANKGPIFSSQL-YOEHRIQHSA-N 2 1 346.421 3.035 20 0 EGADMP C[C@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1cccc(F)c1F ZINC000181958057 455404715 /nfs/dbraw/zinc/40/47/15/455404715.db2.gz ITXANKGPIFSSQL-YOEHRIQHSA-N 2 1 346.421 3.035 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000246182781 455443839 /nfs/dbraw/zinc/44/38/39/455443839.db2.gz KPGLDIBEPQXZCL-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)[C@@H](C)C1 ZINC000246282884 455464090 /nfs/dbraw/zinc/46/40/90/455464090.db2.gz BRBCMIHMXRDZET-FZMZJTMJSA-N 2 1 332.275 3.087 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)[C@@H](C)C1 ZINC000246340148 455472912 /nfs/dbraw/zinc/47/29/12/455472912.db2.gz GVMPRCMYIYSIAG-LAUBAEHRSA-N 2 1 346.515 3.202 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)cc1)C(C)C ZINC000246338764 455473402 /nfs/dbraw/zinc/47/34/02/455473402.db2.gz FDJAJFDRDQFBBN-VQIMIIECSA-N 2 1 343.515 3.272 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1)C(C)C ZINC000246338764 455473406 /nfs/dbraw/zinc/47/34/06/455473406.db2.gz FDJAJFDRDQFBBN-VQIMIIECSA-N 2 1 343.515 3.272 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1)C(C)C ZINC000246338764 455473409 /nfs/dbraw/zinc/47/34/09/455473409.db2.gz FDJAJFDRDQFBBN-VQIMIIECSA-N 2 1 343.515 3.272 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000182409669 455508061 /nfs/dbraw/zinc/50/80/61/455508061.db2.gz AKYDEHYJFBWMDJ-HXUWFJFHSA-N 2 1 333.495 3.210 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC000246853065 455530630 /nfs/dbraw/zinc/53/06/30/455530630.db2.gz CQZZZXPUFJNFQO-DZGCQCFKSA-N 2 1 330.394 3.448 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC000246853065 455530637 /nfs/dbraw/zinc/53/06/37/455530637.db2.gz CQZZZXPUFJNFQO-DZGCQCFKSA-N 2 1 330.394 3.448 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000247178191 455568912 /nfs/dbraw/zinc/56/89/12/455568912.db2.gz YZVCISVBAKLDBF-IAGOWNOFSA-N 2 1 327.476 3.038 20 0 EGADMP CC(C)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCCC1 ZINC000247186149 455570602 /nfs/dbraw/zinc/57/06/02/455570602.db2.gz VMGYJLFDADWUQS-TYPHKJRUSA-N 2 1 344.547 3.002 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[N@H+]1C1CC1 ZINC000267987093 455575603 /nfs/dbraw/zinc/57/56/03/455575603.db2.gz PMNHVRYJMMZTQJ-QFBILLFUSA-N 2 1 341.499 3.028 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[N@H+]1C1CC1 ZINC000267987094 455575784 /nfs/dbraw/zinc/57/57/84/455575784.db2.gz PMNHVRYJMMZTQJ-VQIMIIECSA-N 2 1 341.499 3.028 20 0 EGADMP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc2c[nH+]cn2c1 ZINC000283797423 455594963 /nfs/dbraw/zinc/59/49/63/455594963.db2.gz GNFNEZQFGWSELS-UYAOXDASSA-N 2 1 346.434 3.091 20 0 EGADMP CC(=O)Nc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185693369 455597904 /nfs/dbraw/zinc/59/79/04/455597904.db2.gz GCZPSMNQYXNVPT-CRAIPNDOSA-N 2 1 329.488 3.388 20 0 EGADMP CC(=O)Nc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185693369 455597909 /nfs/dbraw/zinc/59/79/09/455597909.db2.gz GCZPSMNQYXNVPT-CRAIPNDOSA-N 2 1 329.488 3.388 20 0 EGADMP CCc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185712495 455603305 /nfs/dbraw/zinc/60/33/05/455603305.db2.gz JPBJTTZWWYEHNN-FUHWJXTLSA-N 2 1 343.515 3.430 20 0 EGADMP CCc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185712495 455603308 /nfs/dbraw/zinc/60/33/08/455603308.db2.gz JPBJTTZWWYEHNN-FUHWJXTLSA-N 2 1 343.515 3.430 20 0 EGADMP CCc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185712535 455603609 /nfs/dbraw/zinc/60/36/09/455603609.db2.gz JPBJTTZWWYEHNN-WMZOPIPTSA-N 2 1 343.515 3.430 20 0 EGADMP CCc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185712535 455603614 /nfs/dbraw/zinc/60/36/14/455603614.db2.gz JPBJTTZWWYEHNN-WMZOPIPTSA-N 2 1 343.515 3.430 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000268185914 455613055 /nfs/dbraw/zinc/61/30/55/455613055.db2.gz WWCITBGLMWDWTH-LJQANCHMSA-N 2 1 344.503 3.147 20 0 EGADMP C[C@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000284172776 455645348 /nfs/dbraw/zinc/64/53/48/455645348.db2.gz QWEHMCAUSBAADZ-OAHLLOKOSA-N 2 1 328.460 3.461 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000271532261 455674879 /nfs/dbraw/zinc/67/48/79/455674879.db2.gz RIKNXMLFGGEEIU-KBXCAEBGSA-N 2 1 328.460 3.078 20 0 EGADMP C[C@H]1C[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000271536367 455676111 /nfs/dbraw/zinc/67/61/11/455676111.db2.gz LCIKLQXBSABCCN-FUHWJXTLSA-N 2 1 334.479 3.237 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC000192743560 455683747 /nfs/dbraw/zinc/68/37/47/455683747.db2.gz ADNGDWLOJCXVEL-FQEVSTJZSA-N 2 1 347.522 3.106 20 0 EGADMP COc1ccsc1[C@H](C)NCc1ccc(-n2ccnc2C)nc1 ZINC000186117368 455696379 /nfs/dbraw/zinc/69/63/79/455696379.db2.gz FSVWHNAIUTXAOT-LBPRGKRZSA-N 2 1 328.441 3.497 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000268948918 455740482 /nfs/dbraw/zinc/74/04/82/455740482.db2.gz WZYYKEPSBDQWHA-CQSZACIVSA-N 2 1 348.441 3.364 20 0 EGADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccsc1 ZINC000269039601 455772059 /nfs/dbraw/zinc/77/20/59/455772059.db2.gz UYPLZDBNMAFKIL-LJQANCHMSA-N 2 1 330.497 3.078 20 0 EGADMP Fc1ccc([C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2ncc[nH]2)cc1 ZINC000278177944 455778759 /nfs/dbraw/zinc/77/87/59/455778759.db2.gz BJOPNEUPJNKSHU-GOSISDBHSA-N 2 1 328.435 3.102 20 0 EGADMP COc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1Br ZINC000271847149 455785070 /nfs/dbraw/zinc/78/50/70/455785070.db2.gz IBDPWUMWMQVYJL-LBPRGKRZSA-N 2 1 339.277 3.370 20 0 EGADMP Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)on1 ZINC000269081630 455786133 /nfs/dbraw/zinc/78/61/33/455786133.db2.gz ZRYZTWUAJWTVHC-ICSRJNTNSA-N 2 1 325.456 3.470 20 0 EGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250286347 455786752 /nfs/dbraw/zinc/78/67/52/455786752.db2.gz LTIAWZOKDSRLMR-FGTMMUONSA-N 2 1 333.495 3.377 20 0 EGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250286347 455786757 /nfs/dbraw/zinc/78/67/57/455786757.db2.gz LTIAWZOKDSRLMR-FGTMMUONSA-N 2 1 333.495 3.377 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000269126667 455794523 /nfs/dbraw/zinc/79/45/23/455794523.db2.gz FESQJFUPTXNOPD-IBGZPJMESA-N 2 1 341.430 3.148 20 0 EGADMP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000269126667 455794530 /nfs/dbraw/zinc/79/45/30/455794530.db2.gz FESQJFUPTXNOPD-IBGZPJMESA-N 2 1 341.430 3.148 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1N(C)C ZINC000252802872 455830130 /nfs/dbraw/zinc/83/01/30/455830130.db2.gz VRXZQMCTKGWGSE-FGTMMUONSA-N 2 1 333.520 3.293 20 0 EGADMP COc1sc(C[NH2+]CCCn2cc[nH+]c2C)cc1Br ZINC000272061293 455835660 /nfs/dbraw/zinc/83/56/60/455835660.db2.gz SDCHMRMOXDFGSB-UHFFFAOYSA-N 2 1 344.278 3.204 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000272101298 455846836 /nfs/dbraw/zinc/84/68/36/455846836.db2.gz ZTJQPKUSGHXZET-IBGZPJMESA-N 2 1 327.428 3.094 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4CCOCC4)[C@@H]3C2)cc1 ZINC000285506405 455860026 /nfs/dbraw/zinc/86/00/26/455860026.db2.gz ALIYATOSSHTNKY-CEWLAPEOSA-N 2 1 328.500 3.446 20 0 EGADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c(C)c1OC ZINC000285561323 455870110 /nfs/dbraw/zinc/87/01/10/455870110.db2.gz HGTQBLHXWPLNMX-JCGIZDLHSA-N 2 1 332.488 3.160 20 0 EGADMP C[NH+](C/C=C\C[N@@H+](C)CCC1CCOCC1)CCC1CCOCC1 ZINC000255842229 455874264 /nfs/dbraw/zinc/87/42/64/455874264.db2.gz FKJNHPKHRFQSGT-ARJAWSKDSA-N 2 1 338.536 3.040 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000617001267 460698560 /nfs/dbraw/zinc/69/85/60/460698560.db2.gz LIGYQYGCKCUMKM-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000617001267 460698567 /nfs/dbraw/zinc/69/85/67/460698567.db2.gz LIGYQYGCKCUMKM-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000617001267 460698578 /nfs/dbraw/zinc/69/85/78/460698578.db2.gz LIGYQYGCKCUMKM-WMZOPIPTSA-N 2 1 335.536 3.020 20 0 EGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc3occc3c2)C1 ZINC000285819587 455923074 /nfs/dbraw/zinc/92/30/74/455923074.db2.gz GSDCVPDDHMRGTN-FQEVSTJZSA-N 2 1 336.435 3.289 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1c1ccccc1 ZINC000261676537 455926447 /nfs/dbraw/zinc/92/64/47/455926447.db2.gz JQMSCZOTUCGTJE-CTNGQTDRSA-N 2 1 332.451 3.047 20 0 EGADMP COc1nccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)n1 ZINC000296441079 455939722 /nfs/dbraw/zinc/93/97/22/455939722.db2.gz NSYGRLDMHGFWJJ-INIZCTEOSA-N 2 1 340.471 3.149 20 0 EGADMP COc1nccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)n1 ZINC000296441079 455939728 /nfs/dbraw/zinc/93/97/28/455939728.db2.gz NSYGRLDMHGFWJJ-INIZCTEOSA-N 2 1 340.471 3.149 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261789287 455948681 /nfs/dbraw/zinc/94/86/81/455948681.db2.gz QBLDMABKBCSVDT-PWIZWCRZSA-N 2 1 343.515 3.052 20 0 EGADMP Cc1cccc(CC2(O)CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000280351698 455954202 /nfs/dbraw/zinc/95/42/02/455954202.db2.gz JAGOSPMZENPVDS-HXUWFJFHSA-N 2 1 330.516 3.239 20 0 EGADMP C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)c3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000270465925 455961435 /nfs/dbraw/zinc/96/14/35/455961435.db2.gz YBFOLVWIZNOLET-OAUYIBNBSA-N 2 1 343.298 3.443 20 0 EGADMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000270465925 455961438 /nfs/dbraw/zinc/96/14/38/455961438.db2.gz YBFOLVWIZNOLET-OAUYIBNBSA-N 2 1 343.298 3.443 20 0 EGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000270465925 455961442 /nfs/dbraw/zinc/96/14/42/455961442.db2.gz YBFOLVWIZNOLET-OAUYIBNBSA-N 2 1 343.298 3.443 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000270465925 455961445 /nfs/dbraw/zinc/96/14/45/455961445.db2.gz YBFOLVWIZNOLET-OAUYIBNBSA-N 2 1 343.298 3.443 20 0 EGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000270465925 455961449 /nfs/dbraw/zinc/96/14/49/455961449.db2.gz YBFOLVWIZNOLET-OAUYIBNBSA-N 2 1 343.298 3.443 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1coc(C[NH3+])c1 ZINC000188060869 455989650 /nfs/dbraw/zinc/98/96/50/455989650.db2.gz ULFDGZVXVFWDOF-OAHLLOKOSA-N 2 1 341.455 3.043 20 0 EGADMP COc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000272589298 456005251 /nfs/dbraw/zinc/00/52/51/456005251.db2.gz XAGVXBFGHXERQA-LPHOPBHVSA-N 2 1 325.456 3.090 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000272612269 456013686 /nfs/dbraw/zinc/01/36/86/456013686.db2.gz ZMZHSKOJYZPKMV-NLWGTHIKSA-N 2 1 326.488 3.162 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000272612269 456013690 /nfs/dbraw/zinc/01/36/90/456013690.db2.gz ZMZHSKOJYZPKMV-NLWGTHIKSA-N 2 1 326.488 3.162 20 0 EGADMP Cc1nc(C)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000280647495 456022420 /nfs/dbraw/zinc/02/24/20/456022420.db2.gz ZWDNRGZYBGEEHH-HDICACEKSA-N 2 1 327.497 3.324 20 0 EGADMP Cc1nc(C)c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000280647495 456022424 /nfs/dbraw/zinc/02/24/24/456022424.db2.gz ZWDNRGZYBGEEHH-HDICACEKSA-N 2 1 327.497 3.324 20 0 EGADMP Cc1nc(C)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000280647495 456022429 /nfs/dbraw/zinc/02/24/29/456022429.db2.gz ZWDNRGZYBGEEHH-HDICACEKSA-N 2 1 327.497 3.324 20 0 EGADMP Cc1nc(C)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000280647495 456022433 /nfs/dbraw/zinc/02/24/33/456022433.db2.gz ZWDNRGZYBGEEHH-HDICACEKSA-N 2 1 327.497 3.324 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000262304134 456022869 /nfs/dbraw/zinc/02/28/69/456022869.db2.gz QYWNGIRARDUGMZ-AHRSYUTCSA-N 2 1 343.515 3.052 20 0 EGADMP C[NH+]1CCC([NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000272692734 456040838 /nfs/dbraw/zinc/04/08/38/456040838.db2.gz QVVXLZCSWPQDEA-ZWKOTPCHSA-N 2 1 345.487 3.381 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1)C(C)C ZINC000296966488 456077976 /nfs/dbraw/zinc/07/79/76/456077976.db2.gz KILYHHTWICUNOK-IHWFROFDSA-N 2 1 343.515 3.272 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1)C(C)C ZINC000296966488 456077983 /nfs/dbraw/zinc/07/79/83/456077983.db2.gz KILYHHTWICUNOK-IHWFROFDSA-N 2 1 343.515 3.272 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1)C(C)C ZINC000296966488 456077988 /nfs/dbraw/zinc/07/79/88/456077988.db2.gz KILYHHTWICUNOK-IHWFROFDSA-N 2 1 343.515 3.272 20 0 EGADMP C[N@@H+]1CCC[C@@H](N2CCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)C1 ZINC000301299406 456084257 /nfs/dbraw/zinc/08/42/57/456084257.db2.gz QJBFYJHWJQRASH-MRXNPFEDSA-N 2 1 344.890 3.104 20 0 EGADMP C[N@H+]1CCC[C@@H](N2CCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)C1 ZINC000301299406 456084262 /nfs/dbraw/zinc/08/42/62/456084262.db2.gz QJBFYJHWJQRASH-MRXNPFEDSA-N 2 1 344.890 3.104 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000225704065 456104434 /nfs/dbraw/zinc/10/44/34/456104434.db2.gz DYRJVBKATGPLBN-LMMKCTJWSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C)CCC1CC[NH+](Cc2nc(-c3ccccc3F)no2)CC1 ZINC000188974511 456187272 /nfs/dbraw/zinc/18/72/72/456187272.db2.gz RFQUXXJSNJWVIZ-UHFFFAOYSA-N 2 1 332.423 3.039 20 0 EGADMP CCCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000236821765 456188755 /nfs/dbraw/zinc/18/87/55/456188755.db2.gz LKKPTNQFGIFEBJ-LPHOPBHVSA-N 2 1 331.504 3.195 20 0 EGADMP CSc1cc2c(cc1C[N@@H+]1CC[C@@H]3[C@@H](CCC[NH+]3C)C1)OCCO2 ZINC000271251105 456192631 /nfs/dbraw/zinc/19/26/31/456192631.db2.gz DPYXUDHQZQYZDY-GOEBONIOSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[N@H+]1CC[C@@H]3[C@@H](CCC[NH+]3C)C1)OCCO2 ZINC000271251105 456192637 /nfs/dbraw/zinc/19/26/37/456192637.db2.gz DPYXUDHQZQYZDY-GOEBONIOSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[NH+]1CC[C@@H]3[C@@H](CCC[N@@H+]3C)C1)OCCO2 ZINC000271251105 456192644 /nfs/dbraw/zinc/19/26/44/456192644.db2.gz DPYXUDHQZQYZDY-GOEBONIOSA-N 2 1 348.512 3.096 20 0 EGADMP CSc1cc2c(cc1C[NH+]1CC[C@@H]3[C@@H](CCC[N@H+]3C)C1)OCCO2 ZINC000271251105 456192650 /nfs/dbraw/zinc/19/26/50/456192650.db2.gz DPYXUDHQZQYZDY-GOEBONIOSA-N 2 1 348.512 3.096 20 0 EGADMP C[C@H](NCc1ncccc1N(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289966740 456198704 /nfs/dbraw/zinc/19/87/04/456198704.db2.gz XEQFXEKMJMDEPC-HKUYNNGSSA-N 2 1 338.499 3.148 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000273181729 456203675 /nfs/dbraw/zinc/20/36/75/456203675.db2.gz OLHVMJQSSXLLFZ-IBGZPJMESA-N 2 1 347.547 3.380 20 0 EGADMP c1csc(C[N@H+]2CCC[C@H](CNc3[nH+]cnc4[nH]ccc43)C2)c1 ZINC000263790293 456224711 /nfs/dbraw/zinc/22/47/11/456224711.db2.gz NIYGEIMHBCVLIU-CYBMUJFWSA-N 2 1 327.457 3.344 20 0 EGADMP c1csc(C[N@@H+]2CCC[C@H](CNc3[nH+]cnc4[nH]ccc43)C2)c1 ZINC000263790293 456224715 /nfs/dbraw/zinc/22/47/15/456224715.db2.gz NIYGEIMHBCVLIU-CYBMUJFWSA-N 2 1 327.457 3.344 20 0 EGADMP COc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1OC(F)F ZINC000237210960 456246806 /nfs/dbraw/zinc/24/68/06/456246806.db2.gz WUGXBCUFOPSZJH-LBPRGKRZSA-N 2 1 339.386 3.227 20 0 EGADMP CN(CCO)Cc1cc(NCc2cccc3nccn32)ccc1Cl ZINC000290179734 456259920 /nfs/dbraw/zinc/25/99/20/456259920.db2.gz RSFCKPZSWLDHCY-UHFFFAOYSA-N 2 1 344.846 3.024 20 0 EGADMP CCOCCC[N@H+]1CC[C@H](Nc2nc(C)nc3c2CCCC3)[C@@H](C)C1 ZINC000302063198 456278186 /nfs/dbraw/zinc/27/81/86/456278186.db2.gz USNWVNTZTRQNKM-YJBOKZPZSA-N 2 1 346.519 3.213 20 0 EGADMP CCc1c(C)[nH+]c2ccccc2c1NC[C@H](C)N1CC[NH+](C)CC1 ZINC000302069770 456279572 /nfs/dbraw/zinc/27/95/72/456279572.db2.gz VKWCROKKOCVZPI-HNNXBMFYSA-N 2 1 326.488 3.153 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]CCCCCOc1ccccc1 ZINC000275670368 456280811 /nfs/dbraw/zinc/28/08/11/456280811.db2.gz FUWINISDIWPRGL-IBGZPJMESA-N 2 1 334.504 3.062 20 0 EGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)CC3 ZINC000275678749 456284188 /nfs/dbraw/zinc/28/41/88/456284188.db2.gz WCABGPNGPCQYIN-HOTGVXAUSA-N 2 1 334.467 3.382 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(NC(C)=O)cc1 ZINC000290357925 456304517 /nfs/dbraw/zinc/30/45/17/456304517.db2.gz GOUWDTSWSZIYHD-UHFFFAOYSA-N 2 1 328.460 3.316 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(NC(C)=O)cc1 ZINC000290357925 456304521 /nfs/dbraw/zinc/30/45/21/456304521.db2.gz GOUWDTSWSZIYHD-UHFFFAOYSA-N 2 1 328.460 3.316 20 0 EGADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290357965 456304532 /nfs/dbraw/zinc/30/45/32/456304532.db2.gz GOWSNXSWBDQSHJ-IBGZPJMESA-N 2 1 338.499 3.344 20 0 EGADMP C[C@H]([NH2+][C@H](CO)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275768759 456308912 /nfs/dbraw/zinc/30/89/12/456308912.db2.gz UQFHIFVMPFXRMR-BWAGFHJFSA-N 2 1 338.495 3.090 20 0 EGADMP CC(C)COc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000342926243 456319039 /nfs/dbraw/zinc/31/90/39/456319039.db2.gz KWPPQPUQENIOGC-HMXCVIKNSA-N 2 1 346.515 3.405 20 0 EGADMP CC(C)COc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000342926243 456319042 /nfs/dbraw/zinc/31/90/42/456319042.db2.gz KWPPQPUQENIOGC-HMXCVIKNSA-N 2 1 346.515 3.405 20 0 EGADMP O[C@@]1(C[NH2+][C@H]2CCCC23CCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000340260562 456347190 /nfs/dbraw/zinc/34/71/90/456347190.db2.gz SRQRKARGMMKOAC-PZJWPPBQSA-N 2 1 328.500 3.326 20 0 EGADMP O[C@@]1(C[NH2+][C@H]2CCCC23CCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000340260562 456347195 /nfs/dbraw/zinc/34/71/95/456347195.db2.gz SRQRKARGMMKOAC-PZJWPPBQSA-N 2 1 328.500 3.326 20 0 EGADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352838212 456353398 /nfs/dbraw/zinc/35/33/98/456353398.db2.gz JIXWQGIQYMHIKN-SFTDATJTSA-N 2 1 330.516 3.382 20 0 EGADMP CC(C)CC[C@H](O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352838212 456353407 /nfs/dbraw/zinc/35/34/07/456353407.db2.gz JIXWQGIQYMHIKN-SFTDATJTSA-N 2 1 330.516 3.382 20 0 EGADMP CC(C)CC[C@H](O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352838212 456353414 /nfs/dbraw/zinc/35/34/14/456353414.db2.gz JIXWQGIQYMHIKN-SFTDATJTSA-N 2 1 330.516 3.382 20 0 EGADMP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000290530912 456354360 /nfs/dbraw/zinc/35/43/60/456354360.db2.gz QQZZRVPLMTWCMR-OTWHNJEPSA-N 2 1 330.472 3.286 20 0 EGADMP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000290530912 456354365 /nfs/dbraw/zinc/35/43/65/456354365.db2.gz QQZZRVPLMTWCMR-OTWHNJEPSA-N 2 1 330.472 3.286 20 0 EGADMP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)c(OC(F)F)c1 ZINC000290571973 456370340 /nfs/dbraw/zinc/37/03/40/456370340.db2.gz TWULILGPEQDGNT-UHFFFAOYSA-N 2 1 339.386 3.324 20 0 EGADMP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c(OC(F)F)c1 ZINC000290571973 456370348 /nfs/dbraw/zinc/37/03/48/456370348.db2.gz TWULILGPEQDGNT-UHFFFAOYSA-N 2 1 339.386 3.324 20 0 EGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000298250074 456403178 /nfs/dbraw/zinc/40/31/78/456403178.db2.gz DJNBMAMSGCRMKS-SFHVURJKSA-N 2 1 345.531 3.122 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)[C@@]12CCCO2 ZINC000340353501 456408931 /nfs/dbraw/zinc/40/89/31/456408931.db2.gz MLEVQJVTZXGIBY-IFLJBQAJSA-N 2 1 344.499 3.138 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)[C@@]12CCCO2 ZINC000340353501 456408938 /nfs/dbraw/zinc/40/89/38/456408938.db2.gz MLEVQJVTZXGIBY-IFLJBQAJSA-N 2 1 344.499 3.138 20 0 EGADMP O=C(Nc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1)C1CCC1 ZINC000298290862 456416871 /nfs/dbraw/zinc/41/68/71/456416871.db2.gz HFNKTATYBXXZSP-UHFFFAOYSA-N 2 1 327.472 3.142 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(=O)c2ccc(C)cc2)[C@@H](C)C1 ZINC000276222823 456417785 /nfs/dbraw/zinc/41/77/85/456417785.db2.gz MFNOVDJHMLPEPJ-ICSRJNTNSA-N 2 1 346.515 3.294 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(=O)c2ccc(C)cc2)[C@@H](C)C1 ZINC000276222823 456417789 /nfs/dbraw/zinc/41/77/89/456417789.db2.gz MFNOVDJHMLPEPJ-ICSRJNTNSA-N 2 1 346.515 3.294 20 0 EGADMP CCn1cc(CC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000276340163 456449483 /nfs/dbraw/zinc/44/94/83/456449483.db2.gz TXKARXFMUKKSIQ-WIYYLYMNSA-N 2 1 340.515 3.430 20 0 EGADMP CCn1cc(CC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000276340163 456449489 /nfs/dbraw/zinc/44/94/89/456449489.db2.gz TXKARXFMUKKSIQ-WIYYLYMNSA-N 2 1 340.515 3.430 20 0 EGADMP CCn1cc(CC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000276340163 456449494 /nfs/dbraw/zinc/44/94/94/456449494.db2.gz TXKARXFMUKKSIQ-WIYYLYMNSA-N 2 1 340.515 3.430 20 0 EGADMP CCn1cc(CC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000276340163 456449501 /nfs/dbraw/zinc/44/95/01/456449501.db2.gz TXKARXFMUKKSIQ-WIYYLYMNSA-N 2 1 340.515 3.430 20 0 EGADMP COc1cccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000337656179 456462175 /nfs/dbraw/zinc/46/21/75/456462175.db2.gz FNNMYXQQZNJYPB-CALCHBBNSA-N 2 1 332.488 3.016 20 0 EGADMP C[C@H](C(=O)N(C)[C@@H](c1ncc[nH]1)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000298613069 456500787 /nfs/dbraw/zinc/50/07/87/456500787.db2.gz OJFQIIMFZZLPFW-KYHPRHEASA-N 2 1 340.471 3.219 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)CC[N@H+]1C ZINC000340517255 456503766 /nfs/dbraw/zinc/50/37/66/456503766.db2.gz ZSBBGOPDQOAQQN-HOCLYGCPSA-N 2 1 334.533 3.126 20 0 EGADMP COCc1ccccc1/C=C(/C)C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000353208474 456560627 /nfs/dbraw/zinc/56/06/27/456560627.db2.gz XCQYSOMTNDOJTB-GDLUXTLDSA-N 2 1 346.515 3.327 20 0 EGADMP O=c1ccccn1C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000282617774 456569483 /nfs/dbraw/zinc/56/94/83/456569483.db2.gz XPEHDISSQGDFDU-FQEVSTJZSA-N 2 1 339.483 3.055 20 0 EGADMP O[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000307946237 456572000 /nfs/dbraw/zinc/57/20/00/456572000.db2.gz JDVOUBWPZKFVSM-IRXDYDNUSA-N 2 1 344.421 3.192 20 0 EGADMP CC[N@@H+]1CCC[C@H](CN(C)c2cccc(C)[nH+]2)[C@H]1c1cnn(C)c1 ZINC000337856398 456572880 /nfs/dbraw/zinc/57/28/80/456572880.db2.gz HISZXURHSGROGQ-APWZRJJASA-N 2 1 327.476 3.033 20 0 EGADMP CC[N@H+]1CCC[C@H](CN(C)c2cccc(C)[nH+]2)[C@H]1c1cnn(C)c1 ZINC000337856398 456572887 /nfs/dbraw/zinc/57/28/87/456572887.db2.gz HISZXURHSGROGQ-APWZRJJASA-N 2 1 327.476 3.033 20 0 EGADMP COc1ccc(C[N@H+](CCn2cc[nH+]c2C)CC2CC2)c(OC)c1 ZINC000282654558 456582766 /nfs/dbraw/zinc/58/27/66/456582766.db2.gz IEVRYISHZYWKLM-UHFFFAOYSA-N 2 1 329.444 3.121 20 0 EGADMP COc1ccc(C[N@@H+](CCn2cc[nH+]c2C)CC2CC2)c(OC)c1 ZINC000282654558 456582773 /nfs/dbraw/zinc/58/27/73/456582773.db2.gz IEVRYISHZYWKLM-UHFFFAOYSA-N 2 1 329.444 3.121 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000310563741 456583634 /nfs/dbraw/zinc/58/36/34/456583634.db2.gz WQSGZLIRBXOVQB-IKGGRYGDSA-N 2 1 339.524 3.286 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000310563741 456583641 /nfs/dbraw/zinc/58/36/41/456583641.db2.gz WQSGZLIRBXOVQB-IKGGRYGDSA-N 2 1 339.524 3.286 20 0 EGADMP COc1ccccc1O[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000353254352 456589235 /nfs/dbraw/zinc/58/92/35/456589235.db2.gz AQPAZHAHKZPVTI-GOSISDBHSA-N 2 1 332.488 3.414 20 0 EGADMP COc1ccccc1O[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000353254352 456589242 /nfs/dbraw/zinc/58/92/42/456589242.db2.gz AQPAZHAHKZPVTI-GOSISDBHSA-N 2 1 332.488 3.414 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000324779489 456673798 /nfs/dbraw/zinc/67/37/98/456673798.db2.gz HLJOXKNYIIRMSP-GOSISDBHSA-N 2 1 326.488 3.309 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000324779489 456673806 /nfs/dbraw/zinc/67/38/06/456673806.db2.gz HLJOXKNYIIRMSP-GOSISDBHSA-N 2 1 326.488 3.309 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000338169104 456680692 /nfs/dbraw/zinc/68/06/92/456680692.db2.gz ILCLOTPZEIVNQW-JXFKEZNVSA-N 2 1 335.455 3.191 20 0 EGADMP Cc1noc(C[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)c2ccccc2)n1 ZINC000277162851 456704078 /nfs/dbraw/zinc/70/40/78/456704078.db2.gz RGFUFHNVRLGXMS-SFHVURJKSA-N 2 1 328.460 3.124 20 0 EGADMP c1ccc(C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2cccnc2)nc1 ZINC000338218755 456712120 /nfs/dbraw/zinc/71/21/20/456712120.db2.gz WANOFAPOZVXASW-OAQYLSRUSA-N 2 1 336.483 3.224 20 0 EGADMP C[C@H](C[NH2+][C@@H](Cc1ccccn1)c1cccnc1)C[NH+]1CCCCC1 ZINC000338220489 456713951 /nfs/dbraw/zinc/71/39/51/456713951.db2.gz YCKLYDZLSZDECT-NQIIRXRSSA-N 2 1 338.499 3.472 20 0 EGADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1ccc(=O)[nH]n1 ZINC000353502997 456721040 /nfs/dbraw/zinc/72/10/40/456721040.db2.gz NRLGXEOBZPRHNE-INIZCTEOSA-N 2 1 340.471 3.409 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C(C)C)CC2)cc1 ZINC000299552813 456726167 /nfs/dbraw/zinc/72/61/67/456726167.db2.gz DLFONFAYNHSCFW-UHFFFAOYSA-N 2 1 331.504 3.085 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000283337938 456761669 /nfs/dbraw/zinc/76/16/69/456761669.db2.gz QACDLKYPGWJHJI-IBGZPJMESA-N 2 1 333.495 3.031 20 0 EGADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CS1 ZINC000277306314 456770591 /nfs/dbraw/zinc/77/05/91/456770591.db2.gz SFUUWLDVKQWZQY-ZCNNSNEGSA-N 2 1 348.556 3.263 20 0 EGADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CS1 ZINC000277306300 456771133 /nfs/dbraw/zinc/77/11/33/456771133.db2.gz SFUUWLDVKQWZQY-AQNXPRMDSA-N 2 1 348.556 3.263 20 0 EGADMP CC1CCC(N(C)C(=O)CN(C)CCC[N@@H+](C)Cc2ccco2)CC1 ZINC000353571924 456771386 /nfs/dbraw/zinc/77/13/86/456771386.db2.gz JBPUNNBVLYQQML-UHFFFAOYSA-N 2 1 349.519 3.070 20 0 EGADMP CC1CCC(N(C)C(=O)C[N@H+](C)CCCN(C)Cc2ccco2)CC1 ZINC000353571924 456771392 /nfs/dbraw/zinc/77/13/92/456771392.db2.gz JBPUNNBVLYQQML-UHFFFAOYSA-N 2 1 349.519 3.070 20 0 EGADMP CC1CCC(N(C)C(=O)C[N@@H+](C)CCCN(C)Cc2ccco2)CC1 ZINC000353571924 456771399 /nfs/dbraw/zinc/77/13/99/456771399.db2.gz JBPUNNBVLYQQML-UHFFFAOYSA-N 2 1 349.519 3.070 20 0 EGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CCCO[C@H]3CCCCO3)C1)CCCC2 ZINC000338325411 456772977 /nfs/dbraw/zinc/77/29/77/456772977.db2.gz WKAKEDBDKRZUNA-XLIONFOSSA-N 2 1 347.503 3.250 20 0 EGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CCCO[C@H]3CCCCO3)C1)CCCC2 ZINC000338325411 456772979 /nfs/dbraw/zinc/77/29/79/456772979.db2.gz WKAKEDBDKRZUNA-XLIONFOSSA-N 2 1 347.503 3.250 20 0 EGADMP CCCC[N@@H+](CC)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000338350947 456781027 /nfs/dbraw/zinc/78/10/27/456781027.db2.gz QZPQZDCJBUBFOT-UHFFFAOYSA-N 2 1 345.531 3.151 20 0 EGADMP CCCC[NH+](CC)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000338350947 456781032 /nfs/dbraw/zinc/78/10/32/456781032.db2.gz QZPQZDCJBUBFOT-UHFFFAOYSA-N 2 1 345.531 3.151 20 0 EGADMP CCCC[NH+](CC)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000338350947 456781036 /nfs/dbraw/zinc/78/10/36/456781036.db2.gz QZPQZDCJBUBFOT-UHFFFAOYSA-N 2 1 345.531 3.151 20 0 EGADMP CC(C)[C@@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[NH+](C)C ZINC000348665367 456806527 /nfs/dbraw/zinc/80/65/27/456806527.db2.gz ZINSUZXDRWUVFQ-PXNSSMCTSA-N 2 1 345.531 3.121 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000292013700 456828982 /nfs/dbraw/zinc/82/89/82/456828982.db2.gz BSGGSSVXCFAOFE-SJORKVTESA-N 2 1 331.504 3.159 20 0 EGADMP FC(F)(F)COc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339069118 456925736 /nfs/dbraw/zinc/92/57/36/456925736.db2.gz RCNYNWQJBPCMOO-GJZGRUSLSA-N 2 1 328.378 3.344 20 0 EGADMP FC(F)(F)COc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339069118 456925739 /nfs/dbraw/zinc/92/57/39/456925739.db2.gz RCNYNWQJBPCMOO-GJZGRUSLSA-N 2 1 328.378 3.344 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000353986162 456989821 /nfs/dbraw/zinc/98/98/21/456989821.db2.gz HGCWZTGONNGAAP-MJGOQNOKSA-N 2 1 333.520 3.152 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000353986162 456989823 /nfs/dbraw/zinc/98/98/23/456989823.db2.gz HGCWZTGONNGAAP-MJGOQNOKSA-N 2 1 333.520 3.152 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccn3)CCC2)[C@H](C)C1 ZINC000353988397 456991682 /nfs/dbraw/zinc/99/16/82/456991682.db2.gz VJSDZCTWPWXPHK-MOPGFXCFSA-N 2 1 345.531 3.230 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000354077427 457047800 /nfs/dbraw/zinc/04/78/00/457047800.db2.gz DJFJAUUDDOJBRO-KRWDZBQOSA-N 2 1 340.895 3.281 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000354077427 457047804 /nfs/dbraw/zinc/04/78/04/457047804.db2.gz DJFJAUUDDOJBRO-KRWDZBQOSA-N 2 1 340.895 3.281 20 0 EGADMP [NH3+]C1CC[NH+](CCCc2nc(-c3cccc4ccccc43)no2)CC1 ZINC000339364666 457069815 /nfs/dbraw/zinc/06/98/15/457069815.db2.gz VZWORVSMTFOPIJ-UHFFFAOYSA-N 2 1 336.439 3.246 20 0 EGADMP c1cn2c([nH+]1)C[C@H](c1nc(-c3ccc(C[NH+]4CCCC4)cc3)no1)CC2 ZINC000349921145 457108936 /nfs/dbraw/zinc/10/89/36/457108936.db2.gz JAMYSWMGEHREQZ-QGZVFWFLSA-N 2 1 349.438 3.259 20 0 EGADMP CC(C)[N@H+](C)Cc1nc(-c2ccc(OCC[NH+]3CCCC3)cc2)no1 ZINC000356672350 457113160 /nfs/dbraw/zinc/11/31/60/457113160.db2.gz AMHRPSGZBOMFFI-UHFFFAOYSA-N 2 1 344.459 3.051 20 0 EGADMP CC(C)[N@@H+](C)Cc1nc(-c2ccc(OCC[NH+]3CCCC3)cc2)no1 ZINC000356672350 457113166 /nfs/dbraw/zinc/11/31/66/457113166.db2.gz AMHRPSGZBOMFFI-UHFFFAOYSA-N 2 1 344.459 3.051 20 0 EGADMP C[C@H]1C[C@@H](NC2CC[NH+](C3CCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000346701182 457118707 /nfs/dbraw/zinc/11/87/07/457118707.db2.gz RGIATWGGPZPMLF-FXAWDEMLSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@H](CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000359948554 457164909 /nfs/dbraw/zinc/16/49/09/457164909.db2.gz BMFPUIKYLOLXHB-XCJLJZCSSA-N 2 1 344.547 3.145 20 0 EGADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000359948554 457164915 /nfs/dbraw/zinc/16/49/15/457164915.db2.gz BMFPUIKYLOLXHB-XCJLJZCSSA-N 2 1 344.547 3.145 20 0 EGADMP C[C@H](CN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000359948554 457164920 /nfs/dbraw/zinc/16/49/20/457164920.db2.gz BMFPUIKYLOLXHB-XCJLJZCSSA-N 2 1 344.547 3.145 20 0 EGADMP C[C@H](CN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000359948554 457164924 /nfs/dbraw/zinc/16/49/24/457164924.db2.gz BMFPUIKYLOLXHB-XCJLJZCSSA-N 2 1 344.547 3.145 20 0 EGADMP CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1OC(F)F ZINC000346825145 457178891 /nfs/dbraw/zinc/17/88/91/457178891.db2.gz LHYMSEOSNGKKMW-AEGPPILISA-N 2 1 340.414 3.246 20 0 EGADMP CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1OC(F)F ZINC000346825145 457178893 /nfs/dbraw/zinc/17/88/93/457178893.db2.gz LHYMSEOSNGKKMW-AEGPPILISA-N 2 1 340.414 3.246 20 0 EGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2CCC2CCCC2)CC1 ZINC000362966998 457179129 /nfs/dbraw/zinc/17/91/29/457179129.db2.gz ODBUCRMINXEJIA-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCSc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000339679313 457209010 /nfs/dbraw/zinc/20/90/10/457209010.db2.gz BJGPNOZDZRNRSW-NVXWUHKLSA-N 2 1 349.544 3.037 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H](C)C2 ZINC000331728644 457241894 /nfs/dbraw/zinc/24/18/94/457241894.db2.gz ZPUBRVUPGDMKJM-VDZJLULYSA-N 2 1 329.488 3.455 20 0 EGADMP C[C@@H]1CSC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000331767221 457247342 /nfs/dbraw/zinc/24/73/42/457247342.db2.gz HANAIXIMUDZWJP-OLMNPRSZSA-N 2 1 347.528 3.275 20 0 EGADMP C[C@H]1CCCN(C(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000357021732 457283020 /nfs/dbraw/zinc/28/30/20/457283020.db2.gz ZGIPXDPZQPNBOH-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[C@@H]1C[NH+](C/C=C\C[N@H+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000339812521 457285051 /nfs/dbraw/zinc/28/50/51/457285051.db2.gz KVISGJWIOJPXCO-GGJLBNBESA-N 2 1 338.536 3.036 20 0 EGADMP CC(C)[C@@H]1C[N@H+](C/C=C\C[NH+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000339812521 457285053 /nfs/dbraw/zinc/28/50/53/457285053.db2.gz KVISGJWIOJPXCO-GGJLBNBESA-N 2 1 338.536 3.036 20 0 EGADMP CC(C)[C@@H]1C[N@@H+](C/C=C\C[NH+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000339812521 457285054 /nfs/dbraw/zinc/28/50/54/457285054.db2.gz KVISGJWIOJPXCO-GGJLBNBESA-N 2 1 338.536 3.036 20 0 EGADMP CCCc1noc(C[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)n1 ZINC000357084691 457314470 /nfs/dbraw/zinc/31/44/70/457314470.db2.gz MIPXHDGVHRQCEY-UHFFFAOYSA-N 2 1 334.508 3.356 20 0 EGADMP CCCc1noc(C[NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)n1 ZINC000357084691 457314477 /nfs/dbraw/zinc/31/44/77/457314477.db2.gz MIPXHDGVHRQCEY-UHFFFAOYSA-N 2 1 334.508 3.356 20 0 EGADMP c1nc2ccccc2n1-c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357109209 457327734 /nfs/dbraw/zinc/32/77/34/457327734.db2.gz WTHSTDNGQLTWLF-QZTJIDSGSA-N 2 1 332.451 3.067 20 0 EGADMP Cc1cccc(NCC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000357227135 457385466 /nfs/dbraw/zinc/38/54/66/457385466.db2.gz GWZLATFYYZHGQG-AZUAARDMSA-N 2 1 338.499 3.302 20 0 EGADMP CC[N@@H+](C)C[C@@H]1CCN([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817164 457414045 /nfs/dbraw/zinc/41/40/45/457414045.db2.gz YNDUQYWQIALTBG-HOTGVXAUSA-N 2 1 328.460 3.380 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000387657847 457432614 /nfs/dbraw/zinc/43/26/14/457432614.db2.gz MJCQUAZOHSGBSE-RBUKOAKNSA-N 2 1 345.531 3.039 20 0 EGADMP Cn1cc(-c2ccc(C[N@@H+](CCC[NH3+])CC3CCCC3)s2)cn1 ZINC000352540210 457450915 /nfs/dbraw/zinc/45/09/15/457450915.db2.gz IFWKJGZKWCUCTP-UHFFFAOYSA-N 2 1 332.517 3.490 20 0 EGADMP CC1(C)[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C[C@@H]1Oc1ccccc1 ZINC000342696343 457460869 /nfs/dbraw/zinc/46/08/69/457460869.db2.gz CXQQGEBCJXPORJ-RLLQIKCJSA-N 2 1 346.515 3.059 20 0 EGADMP COC(=O)c1oc([C@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1C ZINC000374074332 457468180 /nfs/dbraw/zinc/46/81/80/457468180.db2.gz JXCWVGLVZTUBIM-HNNXBMFYSA-N 2 1 334.460 3.243 20 0 EGADMP C[C@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000395230788 457476061 /nfs/dbraw/zinc/47/60/61/457476061.db2.gz VRLYTEUUSZSCPS-TYPHKJRUSA-N 2 1 329.532 3.409 20 0 EGADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1Cl ZINC000342736990 457487737 /nfs/dbraw/zinc/48/77/37/457487737.db2.gz QSCWUIJGVCIOEX-GOEBONIOSA-N 2 1 340.895 3.235 20 0 EGADMP C[NH+](C)C1(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CCCCC1 ZINC000357407188 457501854 /nfs/dbraw/zinc/50/18/54/457501854.db2.gz ZBHRIEYOMNHHLE-LJQANCHMSA-N 2 1 343.515 3.032 20 0 EGADMP Cc1nccn1CCC[N@@H+]1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000347579616 457522387 /nfs/dbraw/zinc/52/23/87/457522387.db2.gz JZTNOQPVFGQMQX-ROUUACIJSA-N 2 1 326.488 3.176 20 0 EGADMP Cc1[nH+]c2c(Cl)cccc2c(N2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000357453652 457537468 /nfs/dbraw/zinc/53/74/68/457537468.db2.gz KGUWRRCSJJNGJI-LBPRGKRZSA-N 2 1 333.863 3.008 20 0 EGADMP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000374241684 457541093 /nfs/dbraw/zinc/54/10/93/457541093.db2.gz OSLDZFYVKWJMHB-RBUKOAKNSA-N 2 1 344.547 3.032 20 0 EGADMP CC(C)CCn1cccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374255016 457547855 /nfs/dbraw/zinc/54/78/55/457547855.db2.gz OSAWKWANSXSOBO-DFQSSKMNSA-N 2 1 333.520 3.218 20 0 EGADMP CC(C)CCn1cccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374255016 457547860 /nfs/dbraw/zinc/54/78/60/457547860.db2.gz OSAWKWANSXSOBO-DFQSSKMNSA-N 2 1 333.520 3.218 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC[N@@H+]1C ZINC000370616197 457682246 /nfs/dbraw/zinc/68/22/46/457682246.db2.gz PPBHPBXUSNPDEC-FVQBIDKESA-N 2 1 341.421 3.356 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC[N@H+]1C ZINC000370616197 457682250 /nfs/dbraw/zinc/68/22/50/457682250.db2.gz PPBHPBXUSNPDEC-FVQBIDKESA-N 2 1 341.421 3.356 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000357813398 457699668 /nfs/dbraw/zinc/69/96/68/457699668.db2.gz GWNLDNDIPUXSAJ-GGPKGHCWSA-N 2 1 343.515 3.203 20 0 EGADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370712378 457704595 /nfs/dbraw/zinc/70/45/95/457704595.db2.gz UYMSEHXIRDKXNZ-JXFKEZNVSA-N 2 1 341.499 3.199 20 0 EGADMP CC(C)[NH+](CCCCC[N@H+](C(C)C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361409233 457721642 /nfs/dbraw/zinc/72/16/42/457721642.db2.gz UFCHNASVGYSJLA-KDURUIRLSA-N 2 1 326.525 3.155 20 0 EGADMP CC(C)[NH+](CCCCC[N@H+](C(C)C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000361409233 457721645 /nfs/dbraw/zinc/72/16/45/457721645.db2.gz UFCHNASVGYSJLA-KDURUIRLSA-N 2 1 326.525 3.155 20 0 EGADMP CC(C)[NH+](CCCCC[N@@H+](C(C)C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000361409233 457721647 /nfs/dbraw/zinc/72/16/47/457721647.db2.gz UFCHNASVGYSJLA-KDURUIRLSA-N 2 1 326.525 3.155 20 0 EGADMP CCn1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1=O ZINC000361431377 457730163 /nfs/dbraw/zinc/73/01/63/457730163.db2.gz CQEVZLXOHCUOKT-FXAWDEMLSA-N 2 1 339.483 3.011 20 0 EGADMP CCn1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1=O ZINC000361431377 457730165 /nfs/dbraw/zinc/73/01/65/457730165.db2.gz CQEVZLXOHCUOKT-FXAWDEMLSA-N 2 1 339.483 3.011 20 0 EGADMP CNC(=O)C1CCC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000358021472 457742272 /nfs/dbraw/zinc/74/22/72/457742272.db2.gz NOOFDYMCMXVSCL-NNGSBXSVSA-N 2 1 340.471 3.136 20 0 EGADMP CCn1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)c1=O ZINC000433088738 457755137 /nfs/dbraw/zinc/75/51/37/457755137.db2.gz MRXCDBNUXSMQOP-LPHOPBHVSA-N 2 1 331.504 3.001 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCCCC1 ZINC000358104795 457789279 /nfs/dbraw/zinc/78/92/79/457789279.db2.gz MYKORJOJNPGISE-NLWGTHIKSA-N 2 1 349.563 3.266 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCS[C@@H](C)CC2)CC1 ZINC000426389470 457819704 /nfs/dbraw/zinc/81/97/04/457819704.db2.gz LNYPCOHTBZSCHX-KRWDZBQOSA-N 2 1 333.545 3.156 20 0 EGADMP NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411215558 457833422 /nfs/dbraw/zinc/83/34/22/457833422.db2.gz HRSHPPCUZNZUEN-SFHVURJKSA-N 2 1 343.515 3.150 20 0 EGADMP FC(F)n1c2ccccc2nc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358174484 457836270 /nfs/dbraw/zinc/83/62/70/457836270.db2.gz XBBWWLLQXBAUGB-UONOGXRCSA-N 2 1 334.414 3.190 20 0 EGADMP CC(C)Oc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371292046 457851255 /nfs/dbraw/zinc/85/12/55/457851255.db2.gz ARZCULMCOFAEDY-MISYRCLQSA-N 2 1 332.488 3.157 20 0 EGADMP CC(C)Oc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371292046 457851263 /nfs/dbraw/zinc/85/12/63/457851263.db2.gz ARZCULMCOFAEDY-MISYRCLQSA-N 2 1 332.488 3.157 20 0 EGADMP CC(C)CCn1cccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371332410 457872701 /nfs/dbraw/zinc/87/27/01/457872701.db2.gz PEFGODUYQSFRJM-OAQYLSRUSA-N 2 1 346.563 3.135 20 0 EGADMP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000358247756 457885432 /nfs/dbraw/zinc/88/54/32/457885432.db2.gz LHBASTMFKNJRCY-SZMVWBNQSA-N 2 1 332.488 3.099 20 0 EGADMP CC(C)C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358250016 457887201 /nfs/dbraw/zinc/88/72/01/457887201.db2.gz JBEUOAMHHPVBKK-IAGOWNOFSA-N 2 1 344.421 3.449 20 0 EGADMP CC(C)C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358250016 457887207 /nfs/dbraw/zinc/88/72/07/457887207.db2.gz JBEUOAMHHPVBKK-IAGOWNOFSA-N 2 1 344.421 3.449 20 0 EGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000358253808 457888828 /nfs/dbraw/zinc/88/88/28/457888828.db2.gz PCQLGPWDBQRJBF-DOMZBBRYSA-N 2 1 348.434 3.058 20 0 EGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000358253808 457888837 /nfs/dbraw/zinc/88/88/37/457888837.db2.gz PCQLGPWDBQRJBF-DOMZBBRYSA-N 2 1 348.434 3.058 20 0 EGADMP CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000361859526 457914014 /nfs/dbraw/zinc/91/40/14/457914014.db2.gz DWLJMFCVZCSDBH-GOSISDBHSA-N 2 1 347.503 3.350 20 0 EGADMP CCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)s1 ZINC000358318596 457930254 /nfs/dbraw/zinc/93/02/54/457930254.db2.gz MNBKBDRPYWIKNW-APHBMKBZSA-N 2 1 337.533 3.042 20 0 EGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361888450 457932128 /nfs/dbraw/zinc/93/21/28/457932128.db2.gz JJXDHBYHBNEIQT-WTNAPCKOSA-N 2 1 336.479 3.147 20 0 EGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361888450 457932131 /nfs/dbraw/zinc/93/21/31/457932131.db2.gz JJXDHBYHBNEIQT-WTNAPCKOSA-N 2 1 336.479 3.147 20 0 EGADMP Cc1ccc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000361891789 457934529 /nfs/dbraw/zinc/93/45/29/457934529.db2.gz YNGFMNDUXQFKQD-UHOSZYNNSA-N 2 1 328.456 3.122 20 0 EGADMP C[N@@H+](CCOc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000358339169 457944285 /nfs/dbraw/zinc/94/42/85/457944285.db2.gz XCBGPMYJIRLACH-CYBMUJFWSA-N 2 1 332.366 3.038 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC[C@H]2CCC[NH+](C)C2)cc1)C(C)C ZINC000458157125 457948235 /nfs/dbraw/zinc/94/82/35/457948235.db2.gz CGKXLHPVKDQNJB-GOSISDBHSA-N 2 1 345.531 3.379 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1)C(C)C ZINC000458157125 457948242 /nfs/dbraw/zinc/94/82/42/457948242.db2.gz CGKXLHPVKDQNJB-GOSISDBHSA-N 2 1 345.531 3.379 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1)C(C)C ZINC000458157125 457948248 /nfs/dbraw/zinc/94/82/48/457948248.db2.gz CGKXLHPVKDQNJB-GOSISDBHSA-N 2 1 345.531 3.379 20 0 EGADMP Cc1oc2ccccc2c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371469573 457948529 /nfs/dbraw/zinc/94/85/29/457948529.db2.gz FTLQXNJZHPJICI-QKYXUNIQSA-N 2 1 328.456 3.425 20 0 EGADMP CCCCOCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000427677119 458020712 /nfs/dbraw/zinc/02/07/12/458020712.db2.gz FAMFTXDZPGBTSZ-HDICACEKSA-N 2 1 326.525 3.014 20 0 EGADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358522165 458054372 /nfs/dbraw/zinc/05/43/72/458054372.db2.gz ZJLIBCUMAGJXBN-MRXNPFEDSA-N 2 1 343.515 3.214 20 0 EGADMP c1ccc(C(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c2ccccc2)cc1 ZINC000428030021 458068403 /nfs/dbraw/zinc/06/84/03/458068403.db2.gz HARUPTLNZHKMJL-SFTDATJTSA-N 2 1 336.479 3.476 20 0 EGADMP c1ccc(C(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c2ccccc2)cc1 ZINC000428030021 458068410 /nfs/dbraw/zinc/06/84/10/458068410.db2.gz HARUPTLNZHKMJL-SFTDATJTSA-N 2 1 336.479 3.476 20 0 EGADMP Cc1nnc([C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)[nH]1 ZINC000412050021 458069015 /nfs/dbraw/zinc/06/90/15/458069015.db2.gz ZZQXYMYIVBKKQJ-LJQANCHMSA-N 2 1 339.487 3.089 20 0 EGADMP Cc1n[nH]c([C@@H]2CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000412050021 458069019 /nfs/dbraw/zinc/06/90/19/458069019.db2.gz ZZQXYMYIVBKKQJ-LJQANCHMSA-N 2 1 339.487 3.089 20 0 EGADMP Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000412050021 458069023 /nfs/dbraw/zinc/06/90/23/458069023.db2.gz ZZQXYMYIVBKKQJ-LJQANCHMSA-N 2 1 339.487 3.089 20 0 EGADMP Cc1nc([C@@H]2CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n[nH]1 ZINC000412050021 458069026 /nfs/dbraw/zinc/06/90/26/458069026.db2.gz ZZQXYMYIVBKKQJ-LJQANCHMSA-N 2 1 339.487 3.089 20 0 EGADMP Cc1nc([C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n[nH]1 ZINC000412050021 458069032 /nfs/dbraw/zinc/06/90/32/458069032.db2.gz ZZQXYMYIVBKKQJ-LJQANCHMSA-N 2 1 339.487 3.089 20 0 EGADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375908312 458119479 /nfs/dbraw/zinc/11/94/79/458119479.db2.gz VZLRUDITSZEAHW-PMACEKPBSA-N 2 1 333.495 3.377 20 0 EGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000435369410 458120537 /nfs/dbraw/zinc/12/05/37/458120537.db2.gz FFZAWBWGRXAYAQ-CVEARBPZSA-N 2 1 326.488 3.339 20 0 EGADMP C[C@H]([NH2+]CCN1CCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000428325739 458121163 /nfs/dbraw/zinc/12/11/63/458121163.db2.gz NTMJXVMSSQLVKP-PKOBYXMFSA-N 2 1 327.516 3.292 20 0 EGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OCc3csc(C)n3)cc2)C1 ZINC000435389917 458133808 /nfs/dbraw/zinc/13/38/08/458133808.db2.gz NCSRIUIKMUBMPV-MRXNPFEDSA-N 2 1 331.485 3.072 20 0 EGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3csc(C)n3)cc2)C1 ZINC000435389917 458133812 /nfs/dbraw/zinc/13/38/12/458133812.db2.gz NCSRIUIKMUBMPV-MRXNPFEDSA-N 2 1 331.485 3.072 20 0 EGADMP CC[N@H+]1C[C@H](C)N(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1C ZINC000412229431 458136406 /nfs/dbraw/zinc/13/64/06/458136406.db2.gz JPVDSELUTPAJHY-ROUUACIJSA-N 2 1 343.515 3.227 20 0 EGADMP COc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000435447717 458149832 /nfs/dbraw/zinc/14/98/32/458149832.db2.gz QSDMQFICFGKPFO-CQSZACIVSA-N 2 1 346.393 3.210 20 0 EGADMP CC(C)[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC[N@H+]1C ZINC000412283133 458154184 /nfs/dbraw/zinc/15/41/84/458154184.db2.gz HWVPAOYUQCFJMM-FQEVSTJZSA-N 2 1 343.515 3.085 20 0 EGADMP c1csc(C[N@@H+](CCOc2ccccc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435689227 458185281 /nfs/dbraw/zinc/18/52/81/458185281.db2.gz XWTYNKVKXIPLTH-QGZVFWFLSA-N 2 1 343.496 3.166 20 0 EGADMP c1csc(C[N@H+](CCOc2ccccc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435689227 458185286 /nfs/dbraw/zinc/18/52/86/458185286.db2.gz XWTYNKVKXIPLTH-QGZVFWFLSA-N 2 1 343.496 3.166 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1)CC(C)C ZINC000358744838 458187444 /nfs/dbraw/zinc/18/74/44/458187444.db2.gz NNCWRYVSTOOTLL-UHFFFAOYSA-N 2 1 345.531 3.366 20 0 EGADMP Cc1ncsc1C[N@@H+](CCc1ccc(C)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435737500 458192619 /nfs/dbraw/zinc/19/26/19/458192619.db2.gz IOHBKMYNKXZFFR-GOSISDBHSA-N 2 1 329.513 3.414 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000428978629 458246114 /nfs/dbraw/zinc/24/61/14/458246114.db2.gz KRULSVWMWSHQBU-LPHOPBHVSA-N 2 1 331.504 3.036 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000369561685 458267064 /nfs/dbraw/zinc/26/70/64/458267064.db2.gz PFJXAZABLKTSFB-GUDVDZBRSA-N 2 1 332.536 3.404 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cnc(C3CC3)nc2)C1 ZINC000459324440 458329792 /nfs/dbraw/zinc/32/97/92/458329792.db2.gz KOMRSAJPPJTYEL-IAGOWNOFSA-N 2 1 328.504 3.440 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cnc(C3CC3)nc2)C1 ZINC000459324444 458330415 /nfs/dbraw/zinc/33/04/15/458330415.db2.gz KOMRSAJPPJTYEL-SJORKVTESA-N 2 1 328.504 3.440 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2N2CCO[C@H](C)C2)C[C@H]1C ZINC000459380781 458350865 /nfs/dbraw/zinc/35/08/65/458350865.db2.gz TYKIQXJXNDIUFG-GGPKGHCWSA-N 2 1 345.531 3.216 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2N2CCO[C@H](C)C2)C[C@H]1C ZINC000459380781 458350869 /nfs/dbraw/zinc/35/08/69/458350869.db2.gz TYKIQXJXNDIUFG-GGPKGHCWSA-N 2 1 345.531 3.216 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2N2CCO[C@H](C)C2)C[C@H]1C ZINC000459380781 458350872 /nfs/dbraw/zinc/35/08/72/458350872.db2.gz TYKIQXJXNDIUFG-GGPKGHCWSA-N 2 1 345.531 3.216 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2N2CCO[C@H](C)C2)C[C@H]1C ZINC000459380781 458350875 /nfs/dbraw/zinc/35/08/75/458350875.db2.gz TYKIQXJXNDIUFG-GGPKGHCWSA-N 2 1 345.531 3.216 20 0 EGADMP CCCc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000372985883 458367606 /nfs/dbraw/zinc/36/76/06/458367606.db2.gz ZRZICKLFSSLTFE-OAQYLSRUSA-N 2 1 329.532 3.239 20 0 EGADMP Clc1ccc(-n2cc(CNCc3cnc4n3CCCC4)cn2)cc1 ZINC000376727236 458376737 /nfs/dbraw/zinc/37/67/37/458376737.db2.gz CMJGJWABWPQCNJ-UHFFFAOYSA-N 2 1 341.846 3.348 20 0 EGADMP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC1CC[NH+](C2CC2)CC1 ZINC000459464423 458380720 /nfs/dbraw/zinc/38/07/20/458380720.db2.gz OVUCFFGYCAXQHD-LLVKDONJSA-N 2 1 344.425 3.340 20 0 EGADMP COc1ccccc1-n1nccc1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000430033242 458391845 /nfs/dbraw/zinc/39/18/45/458391845.db2.gz JNAHUPUDQDMCCU-KRWDZBQOSA-N 2 1 342.487 3.235 20 0 EGADMP COc1ccccc1-n1nccc1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000430030266 458392175 /nfs/dbraw/zinc/39/21/75/458392175.db2.gz ZYQWYBXXYWOGPX-KRWDZBQOSA-N 2 1 342.487 3.093 20 0 EGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2Cc3ccccc3N(C)C[C@H]2C)cc1 ZINC000420313445 458398317 /nfs/dbraw/zinc/39/83/17/458398317.db2.gz JCIWQNRHFGNVKV-APWZRJJASA-N 2 1 339.483 3.078 20 0 EGADMP CCC[C@@](C)([NH3+])C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000376828981 458399460 /nfs/dbraw/zinc/39/94/60/458399460.db2.gz ROGKRYQXLZWGMG-HXUWFJFHSA-N 2 1 343.515 3.019 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459534226 458403564 /nfs/dbraw/zinc/40/35/64/458403564.db2.gz FLWPDFNZFGBETR-LJQANCHMSA-N 2 1 327.472 3.465 20 0 EGADMP OCC[C@H](NC1CC[NH+](C2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000459570608 458413893 /nfs/dbraw/zinc/41/38/93/458413893.db2.gz DVFNFMJDCBPABL-KRWDZBQOSA-N 2 1 342.405 3.345 20 0 EGADMP OCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000459570608 458413897 /nfs/dbraw/zinc/41/38/97/458413897.db2.gz DVFNFMJDCBPABL-KRWDZBQOSA-N 2 1 342.405 3.345 20 0 EGADMP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000423441820 458433701 /nfs/dbraw/zinc/43/37/01/458433701.db2.gz WGMRFQDKHSCAPM-OXQOHEQNSA-N 2 1 337.467 3.101 20 0 EGADMP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000423480411 458439466 /nfs/dbraw/zinc/43/94/66/458439466.db2.gz WBVUKDDJZNIZTC-VNXMGFANSA-N 3 1 341.543 3.394 20 0 EGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C[NH3+])C2CCCC2)c2ccccc21 ZINC000423497594 458443101 /nfs/dbraw/zinc/44/31/01/458443101.db2.gz HAEHFPDBFVXVPD-GUDVDZBRSA-N 2 1 330.472 3.275 20 0 EGADMP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000423527200 458452845 /nfs/dbraw/zinc/45/28/45/458452845.db2.gz LYMJSDWGUDZDJN-HGSOSGBHSA-N 2 1 349.522 3.385 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+])c1ccc2ccccc2c1 ZINC000430541491 458458525 /nfs/dbraw/zinc/45/85/25/458458525.db2.gz JBBCBUALRXFIEE-HOTGVXAUSA-N 2 1 341.499 3.322 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+])c1ccc2ccccc2c1 ZINC000430541491 458458527 /nfs/dbraw/zinc/45/85/27/458458527.db2.gz JBBCBUALRXFIEE-HOTGVXAUSA-N 2 1 341.499 3.322 20 0 EGADMP Cc1ccc(-c2noc(CCC[N@H+](C)CC[C@@H]([NH3+])C(C)C)n2)cc1F ZINC000430545682 458458597 /nfs/dbraw/zinc/45/85/97/458458597.db2.gz IKXWLMCTAYHFRN-QGZVFWFLSA-N 2 1 348.466 3.422 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000459729238 458459591 /nfs/dbraw/zinc/45/95/91/458459591.db2.gz ITBBXPQHEGKRSR-LJQANCHMSA-N 2 1 347.522 3.154 20 0 EGADMP C[N@@H+]1CCC[C@H](CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000459729238 458459595 /nfs/dbraw/zinc/45/95/95/458459595.db2.gz ITBBXPQHEGKRSR-LJQANCHMSA-N 3 1 347.522 3.154 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000459729238 458459600 /nfs/dbraw/zinc/45/96/00/458459600.db2.gz ITBBXPQHEGKRSR-LJQANCHMSA-N 3 1 347.522 3.154 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430574519 458463586 /nfs/dbraw/zinc/46/35/86/458463586.db2.gz SVXQDDDAYODBJL-VQIMIIECSA-N 2 1 337.467 3.498 20 0 EGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430574519 458463593 /nfs/dbraw/zinc/46/35/93/458463593.db2.gz SVXQDDDAYODBJL-VQIMIIECSA-N 2 1 337.467 3.498 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000430592758 458467842 /nfs/dbraw/zinc/46/78/42/458467842.db2.gz CVQZFPXNRQDWPN-DKKFBQAASA-N 2 1 331.504 3.092 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000430592758 458467847 /nfs/dbraw/zinc/46/78/47/458467847.db2.gz CVQZFPXNRQDWPN-DKKFBQAASA-N 2 1 331.504 3.092 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000423736016 458478097 /nfs/dbraw/zinc/47/80/97/458478097.db2.gz XZLQBQQDOBEVRJ-JFRXWTBNSA-N 2 1 335.536 3.148 20 0 EGADMP C[NH2+]CC1CC[NH+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000430925686 458506068 /nfs/dbraw/zinc/50/60/68/458506068.db2.gz LZHBXIZYOKQGNZ-CYBMUJFWSA-N 2 1 348.878 3.306 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1)c1cccc2ccccc21 ZINC000430929824 458506164 /nfs/dbraw/zinc/50/61/64/458506164.db2.gz RAKLJONDQRRKJU-ULMVMLMRSA-N 2 1 339.483 3.075 20 0 EGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)c1cccc2ccccc21 ZINC000430929824 458506170 /nfs/dbraw/zinc/50/61/70/458506170.db2.gz RAKLJONDQRRKJU-ULMVMLMRSA-N 2 1 339.483 3.075 20 0 EGADMP CCC(CC)(C[NH3+])C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423909195 458511664 /nfs/dbraw/zinc/51/16/64/458511664.db2.gz UAURGCMCAIJFRZ-MJGOQNOKSA-N 2 1 345.531 3.168 20 0 EGADMP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c(Cl)c1 ZINC000431015763 458517602 /nfs/dbraw/zinc/51/76/02/458517602.db2.gz WNQHBDRWBGIYBS-OAHLLOKOSA-N 2 1 349.906 3.359 20 0 EGADMP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000431088154 458527878 /nfs/dbraw/zinc/52/78/78/458527878.db2.gz CWKNJNVJKBQFRC-JKSUJKDBSA-N 2 1 328.460 3.340 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1)C1CC1 ZINC000424066847 458548934 /nfs/dbraw/zinc/54/89/34/458548934.db2.gz GHVGUIAQWXECTN-FCEWJHQRSA-N 2 1 343.515 3.116 20 0 EGADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)[NH+](C)C ZINC000461214157 458552041 /nfs/dbraw/zinc/55/20/41/458552041.db2.gz RQERUNPQNFQPIQ-ZIFCJYIRSA-N 2 1 348.535 3.014 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000493782063 458565137 /nfs/dbraw/zinc/56/51/37/458565137.db2.gz SNQHDWUWYDNFIS-QGZVFWFLSA-N 2 1 339.524 3.098 20 0 EGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424149260 458571387 /nfs/dbraw/zinc/57/13/87/458571387.db2.gz WCOUWJNSVLUUBX-VQTJNVASSA-N 2 1 349.563 3.255 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424159383 458574023 /nfs/dbraw/zinc/57/40/23/458574023.db2.gz SLPLDTQFONGVEK-OALUTQOASA-N 2 1 337.552 3.301 20 0 EGADMP CCn1ccnc1[C@@H]1CCCCN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000373721670 458583223 /nfs/dbraw/zinc/58/32/23/458583223.db2.gz VQISMXOOMMERGZ-KRWDZBQOSA-N 2 1 347.507 3.014 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438546584 458594650 /nfs/dbraw/zinc/59/46/50/458594650.db2.gz PVYRVCCLEUVSIY-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000438546584 458594657 /nfs/dbraw/zinc/59/46/57/458594657.db2.gz PVYRVCCLEUVSIY-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000438546584 458594667 /nfs/dbraw/zinc/59/46/67/458594667.db2.gz PVYRVCCLEUVSIY-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CCn1c2cccc(F)c2nc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424294419 458606322 /nfs/dbraw/zinc/60/63/22/458606322.db2.gz QFWSSPHMABBYQS-AWEZNQCLSA-N 2 1 330.451 3.159 20 0 EGADMP [NH3+]C[C@H](CN1CCC[N@@H+](CC2CCCCC2)CC1)c1ccc(F)cc1 ZINC000424300113 458609298 /nfs/dbraw/zinc/60/92/98/458609298.db2.gz JRIBWLDWGPVVIL-HXUWFJFHSA-N 2 1 347.522 3.456 20 0 EGADMP CCCc1csc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)n1 ZINC000494076489 458624188 /nfs/dbraw/zinc/62/41/88/458624188.db2.gz BBASRZLGMGSDBD-UHFFFAOYSA-N 2 1 345.516 3.261 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1Br ZINC000424371374 458627555 /nfs/dbraw/zinc/62/75/55/458627555.db2.gz FZTBTHATUVUHBU-ZLKJLUDKSA-N 2 1 327.266 3.378 20 0 EGADMP CCOc1c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)nn1CC(C)C ZINC000424375875 458628057 /nfs/dbraw/zinc/62/80/57/458628057.db2.gz KJCRDUYAWIWUBR-INIZCTEOSA-N 2 1 348.535 3.210 20 0 EGADMP CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000462680035 458641838 /nfs/dbraw/zinc/64/18/38/458641838.db2.gz IPRCAKHDMUCPMS-WIYYLYMNSA-N 2 1 329.532 3.492 20 0 EGADMP C[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000462785365 458653253 /nfs/dbraw/zinc/65/32/53/458653253.db2.gz OZCNWRKASRECAG-KRWDZBQOSA-N 2 1 332.488 3.416 20 0 EGADMP C[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000462785365 458653258 /nfs/dbraw/zinc/65/32/58/458653258.db2.gz OZCNWRKASRECAG-KRWDZBQOSA-N 2 1 332.488 3.416 20 0 EGADMP C[NH+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000462785365 458653263 /nfs/dbraw/zinc/65/32/63/458653263.db2.gz OZCNWRKASRECAG-KRWDZBQOSA-N 2 1 332.488 3.416 20 0 EGADMP C[NH+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000462785365 458653267 /nfs/dbraw/zinc/65/32/67/458653267.db2.gz OZCNWRKASRECAG-KRWDZBQOSA-N 2 1 332.488 3.416 20 0 EGADMP COc1ccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000470997604 458674662 /nfs/dbraw/zinc/67/46/62/458674662.db2.gz MVVKZZZHYBEYSX-OYRHEFFESA-N 2 1 336.479 3.302 20 0 EGADMP COc1ccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000470997604 458674670 /nfs/dbraw/zinc/67/46/70/458674670.db2.gz MVVKZZZHYBEYSX-OYRHEFFESA-N 2 1 336.479 3.302 20 0 EGADMP COc1ccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000470997604 458674674 /nfs/dbraw/zinc/67/46/74/458674674.db2.gz MVVKZZZHYBEYSX-OYRHEFFESA-N 2 1 336.479 3.302 20 0 EGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000463237027 458685272 /nfs/dbraw/zinc/68/52/72/458685272.db2.gz KWQYYMNJYGECHI-NRFANRHFSA-N 2 1 343.559 3.404 20 0 EGADMP CN1CCCC(C)(C)[C@@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463237027 458685277 /nfs/dbraw/zinc/68/52/77/458685277.db2.gz KWQYYMNJYGECHI-NRFANRHFSA-N 2 1 343.559 3.404 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000503492487 458711229 /nfs/dbraw/zinc/71/12/29/458711229.db2.gz VLROXTWWBMKGPW-IBGZPJMESA-N 2 1 331.504 3.429 20 0 EGADMP COc1ccc([C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C(C)C)cc1 ZINC000432421137 458737618 /nfs/dbraw/zinc/73/76/18/458737618.db2.gz NYNOVUWWIAKPCF-PXNSSMCTSA-N 2 1 334.504 3.483 20 0 EGADMP C[N@@H+](CCCNC(=O)C1CCC1)C1CC[NH+](C2CCCCC2)CC1 ZINC000432794257 458788018 /nfs/dbraw/zinc/78/80/18/458788018.db2.gz AIWMQTPBTXNUJY-UHFFFAOYSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1nccn1-c1ccc(C[NH2+]Cc2ccc3nc[nH]c3c2)cc1F ZINC000518779460 458893427 /nfs/dbraw/zinc/89/34/27/458893427.db2.gz SZCOURAEESYCPZ-UHFFFAOYSA-N 2 1 335.386 3.486 20 0 EGADMP OC[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CC1CCCC1 ZINC000466424381 458898711 /nfs/dbraw/zinc/89/87/11/458898711.db2.gz VXJSAIFVAXWIRK-FQEVSTJZSA-N 2 1 330.516 3.429 20 0 EGADMP C[C@@H](O)C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441237069 458903906 /nfs/dbraw/zinc/90/39/06/458903906.db2.gz VXXQKUDTPZUQEL-MDZRGWNJSA-N 2 1 338.923 3.438 20 0 EGADMP C[C@@H](O)C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441237069 458903910 /nfs/dbraw/zinc/90/39/10/458903910.db2.gz VXXQKUDTPZUQEL-MDZRGWNJSA-N 2 1 338.923 3.438 20 0 EGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000556209241 458937233 /nfs/dbraw/zinc/93/72/33/458937233.db2.gz YDJCICHNXZSPNI-BJLQDIEVSA-N 2 1 345.531 3.039 20 0 EGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000556209241 458937238 /nfs/dbraw/zinc/93/72/38/458937238.db2.gz YDJCICHNXZSPNI-BJLQDIEVSA-N 2 1 345.531 3.039 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000467194111 458957470 /nfs/dbraw/zinc/95/74/70/458957470.db2.gz GHSDHOVOINRWEO-RBUKOAKNSA-N 2 1 338.536 3.301 20 0 EGADMP Cc1ccnc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000556864568 459023979 /nfs/dbraw/zinc/02/39/79/459023979.db2.gz VDXPMPIJBZDMSZ-AEFFLSMTSA-N 2 1 344.528 3.091 20 0 EGADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556891676 459028756 /nfs/dbraw/zinc/02/87/56/459028756.db2.gz FEOOABNRAJHRRY-HSROGRKHSA-N 2 1 330.516 3.426 20 0 EGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000442758489 459031316 /nfs/dbraw/zinc/03/13/16/459031316.db2.gz IUFMZCYUSKEFRO-SJORKVTESA-N 2 1 337.467 3.351 20 0 EGADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000566985350 459031937 /nfs/dbraw/zinc/03/19/37/459031937.db2.gz GMDNOGNJKVRRLR-AABGKKOBSA-N 2 1 329.532 3.319 20 0 EGADMP CC(C)(C)[C@H](CN1CCc2ccccc2C1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000566985350 459031941 /nfs/dbraw/zinc/03/19/41/459031941.db2.gz GMDNOGNJKVRRLR-AABGKKOBSA-N 2 1 329.532 3.319 20 0 EGADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000442787797 459035952 /nfs/dbraw/zinc/03/59/52/459035952.db2.gz DPCILXPREVTPHM-MDZRGWNJSA-N 2 1 331.504 3.051 20 0 EGADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442890518 459055345 /nfs/dbraw/zinc/05/53/45/459055345.db2.gz OMFIZUXASOVQJO-DNVCBOLYSA-N 2 1 333.495 3.065 20 0 EGADMP Cn1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000442927969 459061855 /nfs/dbraw/zinc/06/18/55/459061855.db2.gz OVOUYMKFLATVLY-CQSZACIVSA-N 2 1 332.879 3.301 20 0 EGADMP CC[N@@H+](CC(=O)N[C@H]1CCCC[C@@H]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999356 459065117 /nfs/dbraw/zinc/06/51/17/459065117.db2.gz BNWFXQUQPXBSEU-PXNSSMCTSA-N 2 1 345.531 3.265 20 0 EGADMP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058291 459079906 /nfs/dbraw/zinc/07/99/06/459079906.db2.gz JWTXZNFDJFGAHC-STQMWFEESA-N 2 1 343.393 3.093 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000443077389 459085937 /nfs/dbraw/zinc/08/59/37/459085937.db2.gz UOQABJNWNROGNL-NSHDSACASA-N 2 1 327.259 3.202 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000443077389 459085943 /nfs/dbraw/zinc/08/59/43/459085943.db2.gz UOQABJNWNROGNL-NSHDSACASA-N 2 1 327.259 3.202 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000521267064 459137684 /nfs/dbraw/zinc/13/76/84/459137684.db2.gz LEVTYAXNBCZZFY-UHFFFAOYSA-N 2 1 343.515 3.021 20 0 EGADMP COc1ncc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1Cl ZINC000532779179 459143211 /nfs/dbraw/zinc/14/32/11/459143211.db2.gz OIBBLOAVZMPTSG-UHFFFAOYSA-N 2 1 325.884 3.296 20 0 EGADMP COc1ncc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1Cl ZINC000532779179 459143213 /nfs/dbraw/zinc/14/32/13/459143213.db2.gz OIBBLOAVZMPTSG-UHFFFAOYSA-N 2 1 325.884 3.296 20 0 EGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000567678537 459143936 /nfs/dbraw/zinc/14/39/36/459143936.db2.gz VJYJJNATKOXEMJ-LPHOPBHVSA-N 2 1 338.923 3.345 20 0 EGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000594786045 459154300 /nfs/dbraw/zinc/15/43/00/459154300.db2.gz HHDWUTPGYFXJNZ-SFHVURJKSA-N 2 1 325.456 3.092 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000594786045 459154304 /nfs/dbraw/zinc/15/43/04/459154304.db2.gz HHDWUTPGYFXJNZ-SFHVURJKSA-N 2 1 325.456 3.092 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC12CCOCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000558619474 459181718 /nfs/dbraw/zinc/18/17/18/459181718.db2.gz UEDHGZYBGDTDQV-DFQSSKMNSA-N 2 1 328.500 3.446 20 0 EGADMP C[C@@H](NCC1([NH+](C)C)CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000480147703 459185820 /nfs/dbraw/zinc/18/58/20/459185820.db2.gz WFZUQCBXOUUOFC-QGZVFWFLSA-N 2 1 333.520 3.152 20 0 EGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000480702324 459213655 /nfs/dbraw/zinc/21/36/55/459213655.db2.gz VOZXXECGMGBTSY-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000480702324 459213660 /nfs/dbraw/zinc/21/36/60/459213660.db2.gz VOZXXECGMGBTSY-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000480702324 459213666 /nfs/dbraw/zinc/21/36/66/459213666.db2.gz VOZXXECGMGBTSY-QZTJIDSGSA-N 2 1 349.563 3.268 20 0 EGADMP Cc1ccccc1CN(C)C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786738 459218143 /nfs/dbraw/zinc/21/81/43/459218143.db2.gz KVSVWWRBDBJWPF-UHFFFAOYSA-N 2 1 345.531 3.006 20 0 EGADMP Cc1nc2ccccc2nc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590818859 459232394 /nfs/dbraw/zinc/23/23/94/459232394.db2.gz BCJRTRHOBAWASZ-UHFFFAOYSA-N 2 1 326.488 3.490 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000481730824 459271473 /nfs/dbraw/zinc/27/14/73/459271473.db2.gz DIUKIYVJNLTPLJ-WIYYLYMNSA-N 3 1 329.532 3.492 20 0 EGADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000481730824 459271476 /nfs/dbraw/zinc/27/14/76/459271476.db2.gz DIUKIYVJNLTPLJ-WIYYLYMNSA-N 2 1 329.532 3.492 20 0 EGADMP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000533866379 459274892 /nfs/dbraw/zinc/27/48/92/459274892.db2.gz CEZZERRQGMYGND-MRXNPFEDSA-N 2 1 340.471 3.280 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000496659604 459276471 /nfs/dbraw/zinc/27/64/71/459276471.db2.gz LLIZIXJJOPQGHQ-BBWFWOEESA-N 2 1 341.540 3.198 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000496659604 459276473 /nfs/dbraw/zinc/27/64/73/459276473.db2.gz LLIZIXJJOPQGHQ-BBWFWOEESA-N 2 1 341.540 3.198 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000496659604 459276476 /nfs/dbraw/zinc/27/64/76/459276476.db2.gz LLIZIXJJOPQGHQ-BBWFWOEESA-N 2 1 341.540 3.198 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000496659604 459276481 /nfs/dbraw/zinc/27/64/81/459276481.db2.gz LLIZIXJJOPQGHQ-BBWFWOEESA-N 2 1 341.540 3.198 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000482138376 459292711 /nfs/dbraw/zinc/29/27/11/459292711.db2.gz OHWOGQNOCMQPNA-YRXWBPOGSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000482147220 459293576 /nfs/dbraw/zinc/29/35/76/459293576.db2.gz WQUSWYVYUMMLNC-XKGZKEIXSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496719214 459299298 /nfs/dbraw/zinc/29/92/98/459299298.db2.gz UDPHLCYZIULVMS-IKGGRYGDSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H]2CCc2ccccc2)CC1 ZINC000482540076 459313312 /nfs/dbraw/zinc/31/33/12/459313312.db2.gz CFZFPNVVAGQCKR-VXKWHMMOSA-N 2 1 343.559 3.405 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000560336470 459324537 /nfs/dbraw/zinc/32/45/37/459324537.db2.gz GOSJVYBHLWSFET-QGZVFWFLSA-N 2 1 343.515 3.016 20 0 EGADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000568888759 459361615 /nfs/dbraw/zinc/36/16/15/459361615.db2.gz CLHJFFBXWHLGJN-MRXNPFEDSA-N 2 1 344.528 3.017 20 0 EGADMP Cc1cc([C@H](C)[NH2+]CCc2c[nH+]cn2C)sc1Br ZINC000560550798 459372767 /nfs/dbraw/zinc/37/27/67/459372767.db2.gz QVGVNKSCMCCNMI-JTQLQIEISA-N 2 1 328.279 3.446 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000497057286 459421734 /nfs/dbraw/zinc/42/17/34/459421734.db2.gz UVHJWDGVIJYGLQ-CVEARBPZSA-N 2 1 336.480 3.007 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000582837108 459435670 /nfs/dbraw/zinc/43/56/70/459435670.db2.gz HMQCJZVZFFPORP-IBGZPJMESA-N 2 1 338.923 3.296 20 0 EGADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497121154 459448521 /nfs/dbraw/zinc/44/85/21/459448521.db2.gz WJMDGWMZICUPKC-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000583013437 459466839 /nfs/dbraw/zinc/46/68/39/459466839.db2.gz ZYEJKAIBWQDGHE-WBVHZDCISA-N 2 1 344.503 3.181 20 0 EGADMP CCC(CC)(CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000486248903 459495597 /nfs/dbraw/zinc/49/55/97/459495597.db2.gz HNQARBGQWCUCEK-ZIFCJYIRSA-N 2 1 345.531 3.210 20 0 EGADMP CC[C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000569707268 459498186 /nfs/dbraw/zinc/49/81/86/459498186.db2.gz XCWBCPJYQNJCOE-IRXDYDNUSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1F ZINC000542530091 459567975 /nfs/dbraw/zinc/56/79/75/459567975.db2.gz DKGHXOYOAZWXMY-HOTGVXAUSA-N 2 1 347.478 3.315 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1F ZINC000542530091 459567981 /nfs/dbraw/zinc/56/79/81/459567981.db2.gz DKGHXOYOAZWXMY-HOTGVXAUSA-N 2 1 347.478 3.315 20 0 EGADMP O=C1CCN(CCCCC[N@H+]2CCC(=O)CC23CCC3)C2(CCC2)C1 ZINC000572896970 459592368 /nfs/dbraw/zinc/59/23/68/459592368.db2.gz AGAVEGMLCILYEX-UHFFFAOYSA-N 2 1 346.515 3.332 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000572921078 459594736 /nfs/dbraw/zinc/59/47/36/459594736.db2.gz ZCOJDTVYJLDCHP-OSJSJHBBSA-N 2 1 338.442 3.411 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@](C)(O)C(F)(F)F)[C@H]1c1cccs1 ZINC000583867304 459609650 /nfs/dbraw/zinc/60/96/50/459609650.db2.gz ZHNOVLPWRQVJGH-XBFCOCLRSA-N 2 1 336.423 3.034 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@](C)(O)C(F)(F)F)[C@H]1c1cccs1 ZINC000583867304 459609653 /nfs/dbraw/zinc/60/96/53/459609653.db2.gz ZHNOVLPWRQVJGH-XBFCOCLRSA-N 2 1 336.423 3.034 20 0 EGADMP Cc1cc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccn1 ZINC000527532944 459657584 /nfs/dbraw/zinc/65/75/84/459657584.db2.gz FIZOQNZJRRECNY-HDICACEKSA-N 2 1 331.504 3.101 20 0 EGADMP COc1ccc(C[C@@H]2CCC[N@@H+](CCCc3cncn3C)C2)cc1 ZINC000584239920 459689076 /nfs/dbraw/zinc/68/90/76/459689076.db2.gz QKOOXWHMLSJKSB-SFHVURJKSA-N 2 1 327.472 3.316 20 0 EGADMP COc1ccc(C[C@@H]2CCC[N@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000584239920 459689083 /nfs/dbraw/zinc/68/90/83/459689083.db2.gz QKOOXWHMLSJKSB-SFHVURJKSA-N 2 1 327.472 3.316 20 0 EGADMP COc1ccc(C[C@@H]2CCC[N@@H+](CCCc3c[nH+]cn3C)C2)cc1 ZINC000584239920 459689090 /nfs/dbraw/zinc/68/90/90/459689090.db2.gz QKOOXWHMLSJKSB-SFHVURJKSA-N 2 1 327.472 3.316 20 0 EGADMP COc1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC(F)F ZINC000596639261 459709553 /nfs/dbraw/zinc/70/95/53/459709553.db2.gz ORIDZPUATGSUBO-KGLIPLIRSA-N 2 1 326.387 3.013 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC(F)F ZINC000596639261 459709560 /nfs/dbraw/zinc/70/95/60/459709560.db2.gz ORIDZPUATGSUBO-KGLIPLIRSA-N 2 1 326.387 3.013 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC(F)F ZINC000596639261 459709566 /nfs/dbraw/zinc/70/95/66/459709566.db2.gz ORIDZPUATGSUBO-KGLIPLIRSA-N 2 1 326.387 3.013 20 0 EGADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1OCC(F)(F)F ZINC000584358998 459718625 /nfs/dbraw/zinc/71/86/25/459718625.db2.gz NSOHIMYMFPJUFN-GXTWGEPZSA-N 2 1 346.393 3.338 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1OCC(F)(F)F ZINC000584358998 459718629 /nfs/dbraw/zinc/71/86/29/459718629.db2.gz NSOHIMYMFPJUFN-GXTWGEPZSA-N 2 1 346.393 3.338 20 0 EGADMP Cc1ccc(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c(F)c1 ZINC000501796968 459744129 /nfs/dbraw/zinc/74/41/29/459744129.db2.gz RHQHHLKLQKPSRZ-UHFFFAOYSA-N 2 1 335.467 3.126 20 0 EGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000544577606 459769556 /nfs/dbraw/zinc/76/95/56/459769556.db2.gz LKFQBOAQRAQVLA-OXAFFQKASA-N 2 1 333.564 3.209 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002149 459791498 /nfs/dbraw/zinc/79/14/98/459791498.db2.gz ADPRCALMZXZYSV-YJBOKZPZSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002149 459791501 /nfs/dbraw/zinc/79/15/01/459791501.db2.gz ADPRCALMZXZYSV-YJBOKZPZSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002149 459791504 /nfs/dbraw/zinc/79/15/04/459791504.db2.gz ADPRCALMZXZYSV-YJBOKZPZSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002149 459791509 /nfs/dbraw/zinc/79/15/09/459791509.db2.gz ADPRCALMZXZYSV-YJBOKZPZSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002149 459791512 /nfs/dbraw/zinc/79/15/12/459791512.db2.gz ADPRCALMZXZYSV-YJBOKZPZSA-N 2 1 332.488 3.414 20 0 EGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000566002149 459791516 /nfs/dbraw/zinc/79/15/16/459791516.db2.gz ADPRCALMZXZYSV-YJBOKZPZSA-N 2 1 332.488 3.414 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000566017199 459794111 /nfs/dbraw/zinc/79/41/11/459794111.db2.gz ACJOVFGYGQTISW-CJNGLKHVSA-N 2 1 330.863 3.417 20 0 EGADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000566017199 459794116 /nfs/dbraw/zinc/79/41/16/459794116.db2.gz ACJOVFGYGQTISW-CJNGLKHVSA-N 2 1 330.863 3.417 20 0 EGADMP CCCOc1cccc(CN2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000566018030 459794346 /nfs/dbraw/zinc/79/43/46/459794346.db2.gz RWKSSSCUWNTDMR-KRWDZBQOSA-N 2 1 332.488 3.161 20 0 EGADMP CCCOc1cccc(CN2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000566018030 459794352 /nfs/dbraw/zinc/79/43/52/459794352.db2.gz RWKSSSCUWNTDMR-KRWDZBQOSA-N 2 1 332.488 3.161 20 0 EGADMP C[C@@H](NCc1n[nH]c(C2CC[NH2+]CC2)n1)c1ccccc1C(C)(C)C ZINC000566103652 459805580 /nfs/dbraw/zinc/80/55/80/459805580.db2.gz DSEQMIZVRIMQNH-CQSZACIVSA-N 2 1 341.503 3.420 20 0 EGADMP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccccc1C(C)(C)C ZINC000566103652 459805582 /nfs/dbraw/zinc/80/55/82/459805582.db2.gz DSEQMIZVRIMQNH-CQSZACIVSA-N 2 1 341.503 3.420 20 0 EGADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000574323839 459805963 /nfs/dbraw/zinc/80/59/63/459805963.db2.gz MMEJGZMXMMFVSA-AWEZNQCLSA-N 2 1 330.863 3.276 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000574323839 459805966 /nfs/dbraw/zinc/80/59/66/459805966.db2.gz MMEJGZMXMMFVSA-AWEZNQCLSA-N 2 1 330.863 3.276 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)[C@@H]1c1cccs1 ZINC000566116979 459808865 /nfs/dbraw/zinc/80/88/65/459808865.db2.gz RKJYTYMFLUQIRP-MBNYWOFBSA-N 2 1 336.423 3.034 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)[C@@H]1c1cccs1 ZINC000566116979 459808868 /nfs/dbraw/zinc/80/88/68/459808868.db2.gz RKJYTYMFLUQIRP-MBNYWOFBSA-N 2 1 336.423 3.034 20 0 EGADMP CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000597237890 459890066 /nfs/dbraw/zinc/89/00/66/459890066.db2.gz DZNYULWKQBVQPU-FPOVZHCZSA-N 2 1 344.499 3.363 20 0 EGADMP c1[nH]c2nccnc2c1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000575962389 460040262 /nfs/dbraw/zinc/04/02/62/460040262.db2.gz BDLYPTSMXJNWRC-SFHVURJKSA-N 2 1 349.482 3.301 20 0 EGADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000618665360 460118069 /nfs/dbraw/zinc/11/80/69/460118069.db2.gz ZVRIWWSEBWKPLB-QZTJIDSGSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618665360 460118076 /nfs/dbraw/zinc/11/80/76/460118076.db2.gz ZVRIWWSEBWKPLB-QZTJIDSGSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618665360 460118078 /nfs/dbraw/zinc/11/80/78/460118078.db2.gz ZVRIWWSEBWKPLB-QZTJIDSGSA-N 2 1 347.547 3.164 20 0 EGADMP Cc1ccc2[nH]c(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc2c1C ZINC000576354001 460123948 /nfs/dbraw/zinc/12/39/48/460123948.db2.gz LVEXNFOVHAJKIN-UHFFFAOYSA-N 2 1 330.520 3.100 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC[NH+]3CCCC3)C2)s1 ZINC000576402212 460134261 /nfs/dbraw/zinc/13/42/61/460134261.db2.gz CLVRFKHDSSSAPT-SFHVURJKSA-N 2 1 335.561 3.296 20 0 EGADMP COC(=O)CC1CCC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000599047196 460139224 /nfs/dbraw/zinc/13/92/24/460139224.db2.gz YYAVPIGQZLRZLD-FAFZWHIHSA-N 2 1 336.520 3.495 20 0 EGADMP COC(=O)CCCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000599308269 460223014 /nfs/dbraw/zinc/22/30/14/460223014.db2.gz SPTGXGCLXHRBMR-NRFANRHFSA-N 2 1 344.499 3.318 20 0 EGADMP COC(=O)CCCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000599308269 460223018 /nfs/dbraw/zinc/22/30/18/460223018.db2.gz SPTGXGCLXHRBMR-NRFANRHFSA-N 2 1 344.499 3.318 20 0 EGADMP COC(=O)CCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000599308269 460223024 /nfs/dbraw/zinc/22/30/24/460223024.db2.gz SPTGXGCLXHRBMR-NRFANRHFSA-N 2 1 344.499 3.318 20 0 EGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC000599313942 460226309 /nfs/dbraw/zinc/22/63/09/460226309.db2.gz AUABLJSIGCFLSQ-APWZRJJASA-N 2 1 329.488 3.484 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC000599313942 460226312 /nfs/dbraw/zinc/22/63/12/460226312.db2.gz AUABLJSIGCFLSQ-APWZRJJASA-N 2 1 329.488 3.484 20 0 EGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000599313942 460226316 /nfs/dbraw/zinc/22/63/16/460226316.db2.gz AUABLJSIGCFLSQ-APWZRJJASA-N 2 1 329.488 3.484 20 0 EGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC000599313942 460226318 /nfs/dbraw/zinc/22/63/18/460226318.db2.gz AUABLJSIGCFLSQ-APWZRJJASA-N 2 1 329.488 3.484 20 0 EGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000622394611 460257807 /nfs/dbraw/zinc/25/78/07/460257807.db2.gz ORSSWWUBFCOUQZ-IEBWSBKVSA-N 2 1 335.536 3.116 20 0 EGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622394611 460257809 /nfs/dbraw/zinc/25/78/09/460257809.db2.gz ORSSWWUBFCOUQZ-IEBWSBKVSA-N 2 1 335.536 3.116 20 0 EGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000622394611 460257812 /nfs/dbraw/zinc/25/78/12/460257812.db2.gz ORSSWWUBFCOUQZ-IEBWSBKVSA-N 2 1 335.536 3.116 20 0 EGADMP CCCOc1c(Cl)cc(C[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000623086879 460406542 /nfs/dbraw/zinc/40/65/42/460406542.db2.gz OXEDDMOLTWVEPJ-UHFFFAOYSA-N 2 1 337.851 3.203 20 0 EGADMP CC(C)Cc1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604389175 460417718 /nfs/dbraw/zinc/41/77/18/460417718.db2.gz GTUSXKZRGZGZQT-OAQYLSRUSA-N 2 1 329.532 3.097 20 0 EGADMP CC(C)Cc1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604389175 460417723 /nfs/dbraw/zinc/41/77/23/460417723.db2.gz GTUSXKZRGZGZQT-OAQYLSRUSA-N 2 1 329.532 3.097 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ncccc32)[C@@H](C)C1 ZINC000631580156 460455105 /nfs/dbraw/zinc/45/51/05/460455105.db2.gz DIGBCTWWXLPSRD-XKGZKEIXSA-N 2 1 331.504 3.186 20 0 EGADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000631582301 460456053 /nfs/dbraw/zinc/45/60/53/460456053.db2.gz ZWJSJUOOZAWDIS-MJGOQNOKSA-N 2 1 343.515 3.316 20 0 EGADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)C(C)(C)C ZINC000604774233 460477761 /nfs/dbraw/zinc/47/77/61/460477761.db2.gz KFYGEBQPUHTLAN-MSOLQXFVSA-N 2 1 331.504 3.138 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc3ncccc23)C1 ZINC000634688453 460478118 /nfs/dbraw/zinc/47/81/18/460478118.db2.gz SSNLOVUGYSQKHO-UXPWSPDFSA-N 2 1 325.456 3.096 20 0 EGADMP O[C@]1(C[NH2+]C[C@@H]2CCCCC2(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000634715609 460489892 /nfs/dbraw/zinc/48/98/92/460489892.db2.gz GTHJBBLDUQZRFA-ROUUACIJSA-N 2 1 338.442 3.039 20 0 EGADMP O[C@]1(C[NH2+]C[C@@H]2CCCCC2(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715609 460489898 /nfs/dbraw/zinc/48/98/98/460489898.db2.gz GTHJBBLDUQZRFA-ROUUACIJSA-N 2 1 338.442 3.039 20 0 EGADMP O[C@]1(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634713196 460490141 /nfs/dbraw/zinc/49/01/41/460490141.db2.gz RRULGNZKVYPUIB-FKBYEOEOSA-N 2 1 336.479 3.159 20 0 EGADMP O[C@]1(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634713196 460490150 /nfs/dbraw/zinc/49/01/50/460490150.db2.gz RRULGNZKVYPUIB-FKBYEOEOSA-N 2 1 336.479 3.159 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(OC(F)F)c1 ZINC000634732826 460497551 /nfs/dbraw/zinc/49/75/51/460497551.db2.gz PTUHDGSFMKUBSZ-ZDUSSCGKSA-N 2 1 328.403 3.164 20 0 EGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623412637 460534640 /nfs/dbraw/zinc/53/46/40/460534640.db2.gz UKKCCQWSBIZVNC-ZDUSSCGKSA-N 2 1 336.423 3.093 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@H](NC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000631749471 460544233 /nfs/dbraw/zinc/54/42/33/460544233.db2.gz QULLRGIWYVZVLK-OAQYLSRUSA-N 2 1 327.516 3.033 20 0 EGADMP Cc1ccc(CN2CC[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000631749471 460544238 /nfs/dbraw/zinc/54/42/38/460544238.db2.gz QULLRGIWYVZVLK-OAQYLSRUSA-N 2 1 327.516 3.033 20 0 EGADMP Brc1ccc(S[C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000629546350 460803261 /nfs/dbraw/zinc/80/32/61/460803261.db2.gz CJUNNNLHAYHTSC-SWLSCSKDSA-N 2 1 341.318 3.225 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cncc(Br)c1 ZINC000624122963 460872743 /nfs/dbraw/zinc/87/27/43/460872743.db2.gz BUUUSYKGVDEINT-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP CCCc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000607366728 460832355 /nfs/dbraw/zinc/83/23/55/460832355.db2.gz RMPIXAPBKPMRSY-JOCHJYFZSA-N 2 1 338.495 3.366 20 0 EGADMP CCCc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000607366728 460832362 /nfs/dbraw/zinc/83/23/62/460832362.db2.gz RMPIXAPBKPMRSY-JOCHJYFZSA-N 2 1 338.495 3.366 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cncc(Br)c1 ZINC000624122963 460872740 /nfs/dbraw/zinc/87/27/40/460872740.db2.gz BUUUSYKGVDEINT-OLZOCXBDSA-N 2 1 326.282 3.227 20 0 EGADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635788541 460924225 /nfs/dbraw/zinc/92/42/25/460924225.db2.gz CNJHWDKSMSTSHL-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000635849991 460948825 /nfs/dbraw/zinc/94/88/25/460948825.db2.gz SPPMSKNURMUEKT-LJQANCHMSA-N 2 1 329.488 3.484 20 0 EGADMP Cc1ncc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000628292951 461076863 /nfs/dbraw/zinc/07/68/63/461076863.db2.gz CUAXRPZHKFZIAK-UHFFFAOYSA-N 2 1 325.456 3.471 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)C1 ZINC000652348773 461142923 /nfs/dbraw/zinc/14/29/23/461142923.db2.gz QVMSIGAAGRQFRG-RCCFBDPRSA-N 2 1 341.455 3.060 20 0 EGADMP COc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652350123 461144883 /nfs/dbraw/zinc/14/48/83/461144883.db2.gz HBDPLKWDKCBXIL-QANKJYHBSA-N 2 1 338.879 3.067 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2OCCCCO)CC1 ZINC000637958237 461153268 /nfs/dbraw/zinc/15/32/68/461153268.db2.gz NIMUMLNNFCWYFQ-UHFFFAOYSA-N 2 1 348.531 3.390 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000668169746 461154839 /nfs/dbraw/zinc/15/48/39/461154839.db2.gz YTFOJPQHLNBQNZ-YLJYHZDGSA-N 2 1 346.515 3.264 20 0 EGADMP CCc1nocc1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000662270815 461159298 /nfs/dbraw/zinc/15/92/98/461159298.db2.gz OPNXJAUBRCUWLB-PXNSSMCTSA-N 2 1 327.472 3.409 20 0 EGADMP Cc1ccc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000662291108 461168043 /nfs/dbraw/zinc/16/80/43/461168043.db2.gz PGBJWOPLFKYIHF-GOSISDBHSA-N 2 1 340.471 3.257 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN([C@H](c2nccn2C)C2CC2)C1 ZINC000637980733 461169094 /nfs/dbraw/zinc/16/90/94/461169094.db2.gz ZVJWXQDNHZFNQK-LMMKCTJWSA-N 2 1 330.520 3.458 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN([C@@H](c2nccn2C)C2CC2)C1 ZINC000637980734 461169456 /nfs/dbraw/zinc/16/94/56/461169456.db2.gz ZVJWXQDNHZFNQK-ZHALLVOQSA-N 2 1 330.520 3.458 20 0 EGADMP Cc1cccc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)c1 ZINC000662293490 461170108 /nfs/dbraw/zinc/17/01/08/461170108.db2.gz SQJIPRGTWLDAFB-SFHVURJKSA-N 2 1 340.471 3.257 20 0 EGADMP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662295029 461172358 /nfs/dbraw/zinc/17/23/58/461172358.db2.gz YHCVXIVSGHNWSY-KRWDZBQOSA-N 2 1 339.483 3.371 20 0 EGADMP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662295030 461173583 /nfs/dbraw/zinc/17/35/83/461173583.db2.gz YHCVXIVSGHNWSY-QGZVFWFLSA-N 2 1 339.483 3.371 20 0 EGADMP Brc1cc2c(s1)CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000662309542 461182853 /nfs/dbraw/zinc/18/28/53/461182853.db2.gz ADEIEOCILWDUOH-NSHDSACASA-N 2 1 329.307 3.258 20 0 EGADMP Brc1cc2c(s1)CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000662309542 461182858 /nfs/dbraw/zinc/18/28/58/461182858.db2.gz ADEIEOCILWDUOH-NSHDSACASA-N 2 1 329.307 3.258 20 0 EGADMP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)c3cnc(C)nc3C)C2)[nH+]1 ZINC000638006935 461191497 /nfs/dbraw/zinc/19/14/97/461191497.db2.gz MTWQEYNGOYZRPN-NVXWUHKLSA-N 2 1 325.460 3.292 20 0 EGADMP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)c3cnc(C)nc3C)C2)[nH+]1 ZINC000638006935 461191501 /nfs/dbraw/zinc/19/15/01/461191501.db2.gz MTWQEYNGOYZRPN-NVXWUHKLSA-N 2 1 325.460 3.292 20 0 EGADMP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](c3nccn3C)C3CC3)C2)[nH+]1 ZINC000638008331 461193802 /nfs/dbraw/zinc/19/38/02/461193802.db2.gz YYIKUGLOJVPXAG-CRAIPNDOSA-N 2 1 325.460 3.009 20 0 EGADMP Fc1ccccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327440 461195078 /nfs/dbraw/zinc/19/50/78/461195078.db2.gz JINHVZGTPKFEDI-UHFFFAOYSA-N 2 1 342.462 3.395 20 0 EGADMP CO[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCOCC1 ZINC000638023468 461204319 /nfs/dbraw/zinc/20/43/19/461204319.db2.gz NYCZDDUFMKZTDB-ICSRJNTNSA-N 2 1 338.536 3.016 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3cc4n(n3)CCC4)C2)s1 ZINC000649603270 461212352 /nfs/dbraw/zinc/21/23/52/461212352.db2.gz DIMHHNFHCGIKSL-INIZCTEOSA-N 2 1 344.528 3.153 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000659247458 461247598 /nfs/dbraw/zinc/24/75/98/461247598.db2.gz XQWVNYBGNROGBQ-LKUPVBHCSA-N 2 1 349.478 3.173 20 0 EGADMP Cc1nccn1-c1ccc(C[NH2+][C@H]2CCCn3ccnc32)cc1F ZINC000655699544 461369813 /nfs/dbraw/zinc/36/98/13/461369813.db2.gz CGJNHGANXUDSPR-INIZCTEOSA-N 2 1 325.391 3.141 20 0 EGADMP Clc1ccc2c(CC[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c[nH]c2c1 ZINC000655703620 461373538 /nfs/dbraw/zinc/37/35/38/461373538.db2.gz JDRZTWYQIMRAKP-KRWDZBQOSA-N 2 1 347.890 3.207 20 0 EGADMP c1ccc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H]2CCCO2)cc1 ZINC000655703075 461374358 /nfs/dbraw/zinc/37/43/58/461374358.db2.gz LIPOJXJXSLRWAE-HBMCJLEFSA-N 2 1 344.499 3.140 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1cccc(Cl)c1Cl ZINC000641804020 461381232 /nfs/dbraw/zinc/38/12/32/461381232.db2.gz HEQFQUNDGJIABA-AXTRIDKLSA-N 2 1 330.259 3.036 20 0 EGADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000655717149 461386890 /nfs/dbraw/zinc/38/68/90/461386890.db2.gz VTIJHTNPAUYMCY-HNNXBMFYSA-N 2 1 344.890 3.408 20 0 EGADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000655717149 461386896 /nfs/dbraw/zinc/38/68/96/461386896.db2.gz VTIJHTNPAUYMCY-HNNXBMFYSA-N 2 1 344.890 3.408 20 0 EGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cc(C)ns1 ZINC000638374663 461393675 /nfs/dbraw/zinc/39/36/75/461393675.db2.gz RECQIUBEXDOKTR-UHFFFAOYSA-N 2 1 333.501 3.462 20 0 EGADMP CC(C)Oc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638374686 461394370 /nfs/dbraw/zinc/39/43/70/461394370.db2.gz RNBKPKQKKTXORF-MRXNPFEDSA-N 2 1 334.504 3.360 20 0 EGADMP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(F)c1 ZINC000655728853 461396808 /nfs/dbraw/zinc/39/68/08/461396808.db2.gz YZIUXSDPWQQCKX-LJQANCHMSA-N 2 1 334.479 3.336 20 0 EGADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCC2(CCCCC2)O1 ZINC000655760437 461426750 /nfs/dbraw/zinc/42/67/50/461426750.db2.gz QDBJZFAZKQLFQI-RTBURBONSA-N 2 1 336.520 3.101 20 0 EGADMP Cc1cccc(OCCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1C ZINC000655760885 461427283 /nfs/dbraw/zinc/42/72/83/461427283.db2.gz AEJPSQMBFSPULT-HXUWFJFHSA-N 2 1 346.515 3.305 20 0 EGADMP Clc1ccc2c(ccn2CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655766530 461431751 /nfs/dbraw/zinc/43/17/51/461431751.db2.gz IBMVHAYROUMRTI-GOSISDBHSA-N 2 1 347.890 3.138 20 0 EGADMP CC(C)c1ccc(O[C@H](C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655769316 461435005 /nfs/dbraw/zinc/43/50/05/461435005.db2.gz XQXYPMCBOIOMHT-XLIONFOSSA-N 2 1 346.515 3.420 20 0 EGADMP c1ccc2c(c1)CC[C@H]2CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655772652 461437069 /nfs/dbraw/zinc/43/70/69/461437069.db2.gz ZDIRCEPWKGXQCJ-AZUAARDMSA-N 2 1 328.500 3.340 20 0 EGADMP CC(C)CNC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000659878874 461478978 /nfs/dbraw/zinc/47/89/78/461478978.db2.gz RIXVEJVAJSPKHD-LJQANCHMSA-N 2 1 337.552 3.127 20 0 EGADMP CC(C)(C)C(=O)NCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638574084 461491642 /nfs/dbraw/zinc/49/16/42/461491642.db2.gz OXZLELOPSBCVPL-PKOBYXMFSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)(C)C(=O)NCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638574084 461491650 /nfs/dbraw/zinc/49/16/50/461491650.db2.gz OXZLELOPSBCVPL-PKOBYXMFSA-N 2 1 343.515 3.106 20 0 EGADMP c1ccc([C@@H]2C[C@H](N[C@@H]3CC[N@H+](CC4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638583032 461493370 /nfs/dbraw/zinc/49/33/70/461493370.db2.gz WWQAGEHOFNEIPN-SJBKTWHCSA-N 2 1 339.527 3.428 20 0 EGADMP c1ccc([C@@H]2C[C@H](N[C@@H]3CC[NH+](CC4CC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000638583032 461493378 /nfs/dbraw/zinc/49/33/78/461493378.db2.gz WWQAGEHOFNEIPN-SJBKTWHCSA-N 2 1 339.527 3.428 20 0 EGADMP c1ccc([C@@H]2C[C@H](N[C@@H]3CC[NH+](CC4CC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000638583032 461493386 /nfs/dbraw/zinc/49/33/86/461493386.db2.gz WWQAGEHOFNEIPN-SJBKTWHCSA-N 2 1 339.527 3.428 20 0 EGADMP C[N@H+]1CCC[C@H](CN[C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638587424 461495579 /nfs/dbraw/zinc/49/55/79/461495579.db2.gz CKXMLQISTJQCFT-SLYNCCJLSA-N 2 1 327.516 3.286 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638587424 461495587 /nfs/dbraw/zinc/49/55/87/461495587.db2.gz CKXMLQISTJQCFT-SLYNCCJLSA-N 2 1 327.516 3.286 20 0 EGADMP C[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638587424 461495601 /nfs/dbraw/zinc/49/56/01/461495601.db2.gz CKXMLQISTJQCFT-SLYNCCJLSA-N 2 1 327.516 3.286 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2Sc3ccccc3NC2=O)C[C@H]1C ZINC000659983091 461527874 /nfs/dbraw/zinc/52/78/74/461527874.db2.gz DEUGCNLBZXLAAI-VKJFTORMSA-N 2 1 347.528 3.294 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2Sc3ccccc3NC2=O)C[C@H]1C ZINC000659983091 461527886 /nfs/dbraw/zinc/52/78/86/461527886.db2.gz DEUGCNLBZXLAAI-VKJFTORMSA-N 2 1 347.528 3.294 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2Sc3ccccc3NC2=O)C[C@H]1C ZINC000659983091 461527894 /nfs/dbraw/zinc/52/78/94/461527894.db2.gz DEUGCNLBZXLAAI-VKJFTORMSA-N 2 1 347.528 3.294 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000638706546 461545483 /nfs/dbraw/zinc/54/54/83/461545483.db2.gz GKLWBBRHDGOQPV-VELGLUOQSA-N 2 1 327.516 3.427 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC[NH+]1C ZINC000638706546 461545490 /nfs/dbraw/zinc/54/54/90/461545490.db2.gz GKLWBBRHDGOQPV-VELGLUOQSA-N 2 1 327.516 3.427 20 0 EGADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC[NH+]1C ZINC000638706546 461545496 /nfs/dbraw/zinc/54/54/96/461545496.db2.gz GKLWBBRHDGOQPV-VELGLUOQSA-N 2 1 327.516 3.427 20 0 EGADMP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638756504 461563022 /nfs/dbraw/zinc/56/30/22/461563022.db2.gz NQUWIESWTFLDGL-PLWAMTLXSA-N 2 1 344.499 3.138 20 0 EGADMP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638756504 461563029 /nfs/dbraw/zinc/56/30/29/461563029.db2.gz NQUWIESWTFLDGL-PLWAMTLXSA-N 2 1 344.499 3.138 20 0 EGADMP Clc1ccc2ncc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)n2c1 ZINC000663344550 461572022 /nfs/dbraw/zinc/57/20/22/461572022.db2.gz AKRLGMVAVSAWPK-OAHLLOKOSA-N 2 1 332.879 3.199 20 0 EGADMP Clc1ccc2ncc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)n2c1 ZINC000663344550 461572030 /nfs/dbraw/zinc/57/20/30/461572030.db2.gz AKRLGMVAVSAWPK-OAHLLOKOSA-N 2 1 332.879 3.199 20 0 EGADMP c1cc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000663344404 461572075 /nfs/dbraw/zinc/57/20/75/461572075.db2.gz SWQDXXNWVOYCRL-OAHLLOKOSA-N 2 1 330.501 3.350 20 0 EGADMP c1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c2c(c1)OCCCO2 ZINC000663347026 461576584 /nfs/dbraw/zinc/57/65/84/461576584.db2.gz FXGGLUQFCWAFFI-QGZVFWFLSA-N 2 1 330.472 3.060 20 0 EGADMP c1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c2c(c1)OCCCO2 ZINC000663347026 461576592 /nfs/dbraw/zinc/57/65/92/461576592.db2.gz FXGGLUQFCWAFFI-QGZVFWFLSA-N 2 1 330.472 3.060 20 0 EGADMP COc1cc2c(cc1C[NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)O[C@H](C)C2 ZINC000663346647 461577170 /nfs/dbraw/zinc/57/71/70/461577170.db2.gz BTEUQLRNWMYIDP-NVXWUHKLSA-N 2 1 344.499 3.230 20 0 EGADMP COc1cc2c(cc1C[NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)O[C@H](C)C2 ZINC000663346647 461577178 /nfs/dbraw/zinc/57/71/78/461577178.db2.gz BTEUQLRNWMYIDP-NVXWUHKLSA-N 2 1 344.499 3.230 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCc1nsc2ccccc21 ZINC000660117136 461590565 /nfs/dbraw/zinc/59/05/65/461590565.db2.gz MNQLTGVPYGNHBH-ZTFGCOKTSA-N 2 1 345.512 3.022 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCc1nsc2ccccc21 ZINC000660117136 461590567 /nfs/dbraw/zinc/59/05/67/461590567.db2.gz MNQLTGVPYGNHBH-ZTFGCOKTSA-N 2 1 345.512 3.022 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1c(C2CC2)cnn1C ZINC000631192852 461632907 /nfs/dbraw/zinc/63/29/07/461632907.db2.gz AUZRKKHIFNESJZ-APWZRJJASA-N 2 1 338.499 3.155 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1c(C2CC2)cnn1C ZINC000631192852 461632911 /nfs/dbraw/zinc/63/29/11/461632911.db2.gz AUZRKKHIFNESJZ-APWZRJJASA-N 2 1 338.499 3.155 20 0 EGADMP CC(C)n1nccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195661 461634283 /nfs/dbraw/zinc/63/42/83/461634283.db2.gz IVVBQXCWIYBDME-HKUYNNGSSA-N 2 1 326.488 3.322 20 0 EGADMP CC(C)n1nccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195661 461634292 /nfs/dbraw/zinc/63/42/92/461634292.db2.gz IVVBQXCWIYBDME-HKUYNNGSSA-N 2 1 326.488 3.322 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000663466255 461654741 /nfs/dbraw/zinc/65/47/41/461654741.db2.gz QDTUWYIUWYBWBO-FUHWJXTLSA-N 2 1 343.515 3.161 20 0 EGADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469585 461659867 /nfs/dbraw/zinc/65/98/67/461659867.db2.gz QVAFOJOKBNMSPE-WBVHZDCISA-N 2 1 347.478 3.254 20 0 EGADMP CCn1nccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000663471743 461661665 /nfs/dbraw/zinc/66/16/65/461661665.db2.gz WKFLCPLIDYCILW-HMXCVIKNSA-N 2 1 338.499 3.293 20 0 EGADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000643499154 461746285 /nfs/dbraw/zinc/74/62/85/461746285.db2.gz YQHWUMQKWXCEJJ-DOTOQJQBSA-N 2 1 338.467 3.424 20 0 EGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647541385 461753824 /nfs/dbraw/zinc/75/38/24/461753824.db2.gz IDEWSGGNGVEUIS-QGZVFWFLSA-N 2 1 332.879 3.288 20 0 EGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647541385 461753832 /nfs/dbraw/zinc/75/38/32/461753832.db2.gz IDEWSGGNGVEUIS-QGZVFWFLSA-N 2 1 332.879 3.288 20 0 EGADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(-c2cccs2)n1 ZINC000647543503 461756733 /nfs/dbraw/zinc/75/67/33/461756733.db2.gz OKRCDKNFSWSMOG-HZPDHXFCSA-N 2 1 344.528 3.360 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000653664776 461794886 /nfs/dbraw/zinc/79/48/86/461794886.db2.gz YAHIDUPUQGGOSO-INIZCTEOSA-N 2 1 349.276 3.251 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647786710 461834740 /nfs/dbraw/zinc/83/47/40/461834740.db2.gz XCTBRLBUWLQZDE-BOFXEDATSA-N 3 1 327.516 3.190 20 0 EGADMP FC(F)CN1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639272828 461837460 /nfs/dbraw/zinc/83/74/60/461837460.db2.gz OIKGQSMZMPHMRQ-JENIJYKNSA-N 2 1 349.469 3.284 20 0 EGADMP FC(F)CN1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639272828 461837467 /nfs/dbraw/zinc/83/74/67/461837467.db2.gz OIKGQSMZMPHMRQ-JENIJYKNSA-N 2 1 349.469 3.284 20 0 EGADMP C[N@H+](CCC[NH3+])Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000647847617 461858120 /nfs/dbraw/zinc/85/81/20/461858120.db2.gz YLPFJBSCRXQMPA-UHFFFAOYSA-N 2 1 334.876 3.497 20 0 EGADMP C[N@@H+](CCC[NH3+])Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000647847617 461858125 /nfs/dbraw/zinc/85/81/25/461858125.db2.gz YLPFJBSCRXQMPA-UHFFFAOYSA-N 2 1 334.876 3.497 20 0 EGADMP C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@H]1CC[NH2+]C1 ZINC000647881558 461868452 /nfs/dbraw/zinc/86/84/52/461868452.db2.gz JQSFQBPKHYECJV-INIZCTEOSA-N 2 1 344.478 3.470 20 0 EGADMP c1cn2c(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c(C3CC3)nc2s1 ZINC000656783793 461894199 /nfs/dbraw/zinc/89/41/99/461894199.db2.gz UKHICHJKOKDORZ-MRXNPFEDSA-N 2 1 344.528 3.485 20 0 EGADMP c1nc([C@@H]2CCCO2)sc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784053 461894774 /nfs/dbraw/zinc/89/47/74/461894774.db2.gz YAKISYGJQYTKSL-WBVHZDCISA-N 2 1 335.517 3.206 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1)c1ccccc1 ZINC000647938466 461896342 /nfs/dbraw/zinc/89/63/42/461896342.db2.gz NVOLAVSFTUHYLX-ISARSNTHSA-N 2 1 331.504 3.092 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1)c1ccccc1 ZINC000647938466 461896349 /nfs/dbraw/zinc/89/63/49/461896349.db2.gz NVOLAVSFTUHYLX-ISARSNTHSA-N 2 1 331.504 3.092 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(F)c4cccnc34)C2)C1 ZINC000650707060 461899520 /nfs/dbraw/zinc/89/95/20/461899520.db2.gz XSGRQDISWSHKAB-OGWOLHLISA-N 2 1 343.446 3.092 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000650706300 461899823 /nfs/dbraw/zinc/89/98/23/461899823.db2.gz ICYJZOKORRPALS-JJRVBVJISA-N 2 1 326.843 3.197 20 0 EGADMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707337 461900784 /nfs/dbraw/zinc/90/07/84/461900784.db2.gz CXKTZLUFFKGJCQ-YRNRMSPPSA-N 2 1 328.456 3.460 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H]1CC[NH3+] ZINC000650711925 461905515 /nfs/dbraw/zinc/90/55/15/461905515.db2.gz JHNHNQXTGZUZFG-DNVCBOLYSA-N 2 1 330.451 3.020 20 0 EGADMP CCOc1c(C[NH2+]Cc2ccc(C[NH3+])cc2F)c(C)nn1CC(C)C ZINC000650718722 461911239 /nfs/dbraw/zinc/91/12/39/461911239.db2.gz UWNLIXPVYJAHJM-UHFFFAOYSA-N 2 1 348.466 3.134 20 0 EGADMP Cc1nccn1CCC[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660664578 461913289 /nfs/dbraw/zinc/91/32/89/461913289.db2.gz HEORUPOSZLHFRA-UHFFFAOYSA-N 2 1 334.414 3.072 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660664578 461913301 /nfs/dbraw/zinc/91/33/01/461913301.db2.gz HEORUPOSZLHFRA-UHFFFAOYSA-N 2 1 334.414 3.072 20 0 EGADMP CC(C)Oc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650723760 461916070 /nfs/dbraw/zinc/91/60/70/461916070.db2.gz SXTGZEQEHXQZOI-RLLQIKCJSA-N 2 1 332.488 3.335 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975082 461916547 /nfs/dbraw/zinc/91/65/47/461916547.db2.gz KENVEPBFIDZIHL-CVEARBPZSA-N 2 1 349.906 3.299 20 0 EGADMP Cc1sc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C)c1C ZINC000647978333 461920297 /nfs/dbraw/zinc/92/02/97/461920297.db2.gz PZKOVXZSZGFEOH-SJORKVTESA-N 2 1 349.544 3.323 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000660680791 461922633 /nfs/dbraw/zinc/92/26/33/461922633.db2.gz XSLMIJWDHAGKFV-KDURUIRLSA-N 2 1 329.532 3.219 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCC3CC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000650761804 461940480 /nfs/dbraw/zinc/94/04/80/461940480.db2.gz KXODQXDGNVLUDQ-FDFHNCONSA-N 3 1 341.543 3.409 20 0 EGADMP c1ccc(CN2CC[C@H]([NH2+]CCC3CC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000650761804 461940486 /nfs/dbraw/zinc/94/04/86/461940486.db2.gz KXODQXDGNVLUDQ-FDFHNCONSA-N 2 1 341.543 3.409 20 0 EGADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000644530499 461972104 /nfs/dbraw/zinc/97/21/04/461972104.db2.gz BQIYHRPTFPYTQZ-FCHUYYIVSA-N 2 1 338.495 3.092 20 0 EGADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000644530501 461972581 /nfs/dbraw/zinc/97/25/81/461972581.db2.gz BQIYHRPTFPYTQZ-VXKWHMMOSA-N 2 1 338.495 3.092 20 0 EGADMP C[C@@H](CC[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000644534656 461975262 /nfs/dbraw/zinc/97/52/62/461975262.db2.gz ULJRWCRDZRDFEH-GHTZIAJQSA-N 2 1 326.484 3.263 20 0 EGADMP C[C@@H](CC[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000644534656 461975263 /nfs/dbraw/zinc/97/52/63/461975263.db2.gz ULJRWCRDZRDFEH-GHTZIAJQSA-N 2 1 326.484 3.263 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000657189401 461982695 /nfs/dbraw/zinc/98/26/95/461982695.db2.gz WNPCBDJTKVWZIK-MRXNPFEDSA-N 2 1 346.906 3.406 20 0 EGADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000648150761 461990090 /nfs/dbraw/zinc/99/00/90/461990090.db2.gz ULWGCXGHGZPXOQ-QGZVFWFLSA-N 2 1 337.895 3.063 20 0 EGADMP Cc1ccc(C[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)s1 ZINC000644571545 461990523 /nfs/dbraw/zinc/99/05/23/461990523.db2.gz DLEKCIMCGAKUFC-MAUKXSAKSA-N 2 1 332.513 3.070 20 0 EGADMP Cc1ccc(C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000644571545 461990531 /nfs/dbraw/zinc/99/05/31/461990531.db2.gz DLEKCIMCGAKUFC-MAUKXSAKSA-N 2 1 332.513 3.070 20 0 EGADMP COc1cccc(-c2nc(C[N@H+]3CC[C@H](c4nccn4C)C3)co2)c1 ZINC000639567896 461993508 /nfs/dbraw/zinc/99/35/08/461993508.db2.gz QMPCWJAKXLGHGX-HNNXBMFYSA-N 2 1 338.411 3.073 20 0 EGADMP COc1cccc(-c2nc(C[N@H+]3CC[C@@H](c4nccn4C)C3)co2)c1 ZINC000639567897 461993583 /nfs/dbraw/zinc/99/35/83/461993583.db2.gz QMPCWJAKXLGHGX-OAHLLOKOSA-N 2 1 338.411 3.073 20 0 EGADMP CCC(CC)[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000644616671 462010886 /nfs/dbraw/zinc/01/08/86/462010886.db2.gz RVJQDMWSOZTXQP-ACRUOGEOSA-N 2 1 348.531 3.053 20 0 EGADMP CCC(CC)[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000644616671 462010892 /nfs/dbraw/zinc/01/08/92/462010892.db2.gz RVJQDMWSOZTXQP-ACRUOGEOSA-N 2 1 348.531 3.053 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657293935 462024033 /nfs/dbraw/zinc/02/40/33/462024033.db2.gz XMYPLNAMQGYKPD-XLIONFOSSA-N 2 1 332.488 3.208 20 0 EGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1ccccc1F ZINC000644656099 462025088 /nfs/dbraw/zinc/02/50/88/462025088.db2.gz QENMAQDYBOVATN-INIZCTEOSA-N 2 1 335.467 3.254 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc1 ZINC000657304907 462031483 /nfs/dbraw/zinc/03/14/83/462031483.db2.gz TURKTNVFRNJJOM-QGZVFWFLSA-N 2 1 334.504 3.310 20 0 EGADMP NC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000664384003 462040455 /nfs/dbraw/zinc/04/04/55/462040455.db2.gz BQPORDJNXCJCAY-GOSISDBHSA-N 2 1 343.515 3.150 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657346300 462060869 /nfs/dbraw/zinc/06/08/69/462060869.db2.gz ARFOAJHUTSIBDJ-NSHDSACASA-N 2 1 327.350 3.358 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cncc(Br)c1C ZINC000657347068 462062768 /nfs/dbraw/zinc/06/27/68/462062768.db2.gz NKBMOBVROKBOED-LLVKDONJSA-N 2 1 337.265 3.083 20 0 EGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657355684 462067740 /nfs/dbraw/zinc/06/77/40/462067740.db2.gz ZGPSRNCIDOIOAI-MRXNPFEDSA-N 2 1 329.419 3.444 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657355684 462067745 /nfs/dbraw/zinc/06/77/45/462067745.db2.gz ZGPSRNCIDOIOAI-MRXNPFEDSA-N 2 1 329.419 3.444 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657412761 462106731 /nfs/dbraw/zinc/10/67/31/462106731.db2.gz DSCWPWIKAQVKAR-TZIWHRDSSA-N 2 1 346.515 3.312 20 0 EGADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1C ZINC000657432065 462119162 /nfs/dbraw/zinc/11/91/62/462119162.db2.gz NSZAESPXXFSUMK-HLAWJBBLSA-N 2 1 338.499 3.119 20 0 EGADMP CCCn1nccc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667620730 462177811 /nfs/dbraw/zinc/17/78/11/462177811.db2.gz MRDGADDCJCBEHY-IBGZPJMESA-N 2 1 326.488 3.247 20 0 EGADMP CCn1nccc1[C@@H]1OCCC[C@H]1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000667666639 462201059 /nfs/dbraw/zinc/20/10/59/462201059.db2.gz SXLBVUSAFMNEJP-CGBFIWBNSA-N 2 1 348.535 3.033 20 0 EGADMP CCn1nccc1[C@@H]1OCCC[C@H]1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000667666639 462201063 /nfs/dbraw/zinc/20/10/63/462201063.db2.gz SXLBVUSAFMNEJP-CGBFIWBNSA-N 2 1 348.535 3.033 20 0 EGADMP CCn1nccc1[C@@H]1OCCC[C@H]1C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000667666639 462201069 /nfs/dbraw/zinc/20/10/69/462201069.db2.gz SXLBVUSAFMNEJP-CGBFIWBNSA-N 2 1 348.535 3.033 20 0 EGADMP CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(C)c1 ZINC000667707164 462224392 /nfs/dbraw/zinc/22/43/92/462224392.db2.gz RSWJCJVCLGFUIZ-DFQSSKMNSA-N 2 1 332.488 3.077 20 0 EGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(C(F)F)nc1 ZINC000657889780 462308831 /nfs/dbraw/zinc/30/88/31/462308831.db2.gz ZDQJSPSAQSYGPS-ZIAGYGMSSA-N 2 1 339.430 3.171 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCC3)[C@@H](C)C1 ZINC000651709575 462310924 /nfs/dbraw/zinc/31/09/24/462310924.db2.gz AFXPWTHMFWBFIX-UWJYYQICSA-N 2 1 330.516 3.402 20 0 EGADMP CC(C)C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000652150458 462451527 /nfs/dbraw/zinc/45/15/27/462451527.db2.gz XLAVXWIVJKHENW-HKUYNNGSSA-N 2 1 349.494 3.090 20 0 EGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652154791 462454913 /nfs/dbraw/zinc/45/49/13/462454913.db2.gz OSDJXIYYXDMULV-BPUTZDHNSA-N 2 1 336.476 3.236 20 0 EGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652154791 462454915 /nfs/dbraw/zinc/45/49/15/462454915.db2.gz OSDJXIYYXDMULV-BPUTZDHNSA-N 2 1 336.476 3.236 20 0 EGADMP [NH3+][C@H](CCC(=O)NCC[NH+]1Cc2ccccc2C1)CC1CCCCC1 ZINC000649306569 462474111 /nfs/dbraw/zinc/47/41/11/462474111.db2.gz YQFSRTSIGAQAIO-HXUWFJFHSA-N 2 1 343.515 3.196 20 0 EGADMP CC[N@@H+](CCC[NH2+][C@@H](COC)C1CCOCC1)C1CCCCC1 ZINC000652238161 462485858 /nfs/dbraw/zinc/48/58/58/462485858.db2.gz VSAXIDDKLJPVQW-IBGZPJMESA-N 2 1 326.525 3.062 20 0 EGADMP CCn1c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc2c1cccc2F ZINC000649417831 462504359 /nfs/dbraw/zinc/50/43/59/462504359.db2.gz KBLRSIKTCCRLCQ-JKSUJKDBSA-N 2 1 344.478 3.407 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CC[N@@H+]1C ZINC000166154626 534112645 /nfs/dbraw/zinc/11/26/45/534112645.db2.gz WKLDNKMAEKGVAZ-WMLDXEAASA-N 2 1 337.458 3.002 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CC[N@H+]1C ZINC000166154626 534112652 /nfs/dbraw/zinc/11/26/52/534112652.db2.gz WKLDNKMAEKGVAZ-WMLDXEAASA-N 2 1 337.458 3.002 20 0 EGADMP C[N@@H+](Cc1ccc(F)c(Br)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000351587851 536470338 /nfs/dbraw/zinc/47/03/38/536470338.db2.gz BYUFSEHWMVDPTI-CYBMUJFWSA-N 2 1 329.257 3.362 20 0 EGADMP C[N@H+](Cc1ccc(F)c(Br)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000351587851 536470341 /nfs/dbraw/zinc/47/03/41/536470341.db2.gz BYUFSEHWMVDPTI-CYBMUJFWSA-N 2 1 329.257 3.362 20 0 EGADMP C[NH+](Cc1ccc(F)c(Br)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000351587851 536470343 /nfs/dbraw/zinc/47/03/43/536470343.db2.gz BYUFSEHWMVDPTI-CYBMUJFWSA-N 2 1 329.257 3.362 20 0 EGADMP C[NH+](Cc1ccc(F)c(Br)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000351587851 536470348 /nfs/dbraw/zinc/47/03/48/536470348.db2.gz BYUFSEHWMVDPTI-CYBMUJFWSA-N 2 1 329.257 3.362 20 0 EGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(C)ccc2OC)CC1 ZINC000154484394 529143643 /nfs/dbraw/zinc/14/36/43/529143643.db2.gz UXQVTARQZIDJIK-GOSISDBHSA-N 2 1 333.520 3.072 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000246878871 534946962 /nfs/dbraw/zinc/94/69/62/534946962.db2.gz DWINREUUQLBBGP-CABCVRRESA-N 2 1 336.476 3.095 20 0 EGADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(=O)N1CCCC1 ZINC000089723210 546647263 /nfs/dbraw/zinc/64/72/63/546647263.db2.gz YUFNMIOUHCOCPX-HOJAQTOUSA-N 2 1 349.563 3.266 20 0 EGADMP COC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCOCC1 ZINC000090651369 546659917 /nfs/dbraw/zinc/65/99/17/546659917.db2.gz WMMLAHPYFVHSGD-OAHLLOKOSA-N 2 1 329.444 3.027 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000161591564 546957965 /nfs/dbraw/zinc/95/79/65/546957965.db2.gz MEKNELUPJKKUQB-ZOCIIQOWSA-N 2 1 342.487 3.248 20 0 EGADMP Fc1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)cc1 ZINC000166290107 546987445 /nfs/dbraw/zinc/98/74/45/546987445.db2.gz HOMPOABNAHLMFJ-RTBURBONSA-N 2 1 332.463 3.090 20 0 EGADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000166293440 546988559 /nfs/dbraw/zinc/98/85/59/546988559.db2.gz QOWCPWLPAZFRQM-RTBURBONSA-N 2 1 328.500 3.260 20 0 EGADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000166525141 546989583 /nfs/dbraw/zinc/98/95/83/546989583.db2.gz FSUQBSSYWZWBBP-IAGOWNOFSA-N 2 1 332.488 3.198 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H](C)C3CC[NH2+]CC3)c2C1 ZINC000166720674 546990222 /nfs/dbraw/zinc/99/02/22/546990222.db2.gz MHAJOXYBTZYKEB-OAHLLOKOSA-N 2 1 329.488 3.377 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H](C)C3CC[NH2+]CC3)c2C1 ZINC000166720674 546990228 /nfs/dbraw/zinc/99/02/28/546990228.db2.gz MHAJOXYBTZYKEB-OAHLLOKOSA-N 2 1 329.488 3.377 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000178485736 547038169 /nfs/dbraw/zinc/03/81/69/547038169.db2.gz ZBYREVDUVAEPIZ-QGZVFWFLSA-N 2 1 338.492 3.453 20 0 EGADMP Cc1ncc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)s1 ZINC000248433650 547299117 /nfs/dbraw/zinc/29/91/17/547299117.db2.gz DIXXTSDWHYONTI-KSSFIOAISA-N 2 1 345.512 3.259 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)C[C@H]2c2ccccc2)CC1 ZINC000285758284 547389559 /nfs/dbraw/zinc/38/95/59/547389559.db2.gz RHSLUOKHHMJMEO-FPOVZHCZSA-N 2 1 329.532 3.486 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2)CC1 ZINC000285758302 547389635 /nfs/dbraw/zinc/38/96/35/547389635.db2.gz RHSLUOKHHMJMEO-TZIWHRDSSA-N 2 1 329.532 3.486 20 0 EGADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310859323 547461529 /nfs/dbraw/zinc/46/15/29/547461529.db2.gz CECJUCDRFLBFAT-UXHICEINSA-N 2 1 345.531 3.026 20 0 EGADMP C[C@@H](C[NH2+][C@H]1CCCOc2cc(Br)ccc21)C[NH+](C)C ZINC000312512812 547464128 /nfs/dbraw/zinc/46/41/28/547464128.db2.gz NINJCSGAGQSPLL-WFASDCNBSA-N 2 1 341.293 3.450 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(OC[C@H]2CCCO2)c1 ZINC000339073993 547568395 /nfs/dbraw/zinc/56/83/95/547568395.db2.gz HQAGPQODRRCBFC-HSALFYBXSA-N 2 1 344.499 3.269 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(OC[C@H]2CCCO2)c1 ZINC000339073993 547568400 /nfs/dbraw/zinc/56/84/00/547568400.db2.gz HQAGPQODRRCBFC-HSALFYBXSA-N 2 1 344.499 3.269 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000339229352 547571510 /nfs/dbraw/zinc/57/15/10/547571510.db2.gz GZSIJOMAUGUCHW-AZUAARDMSA-N 2 1 343.515 3.204 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000339238803 547571770 /nfs/dbraw/zinc/57/17/70/547571770.db2.gz WMMUAQCSSBUTIQ-SFHVURJKSA-N 2 1 343.515 3.032 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000414922070 547861817 /nfs/dbraw/zinc/86/18/17/547861817.db2.gz GGMNBRGJFWUHJU-ZIAGYGMSSA-N 2 1 349.276 3.199 20 0 EGADMP c1[nH]nc2cc(CC[NH2+]C3CC[NH+](CCc4ccccc4)CC3)ccc12 ZINC000671301620 548275565 /nfs/dbraw/zinc/27/55/65/548275565.db2.gz KFVZIHYALUQXLI-UHFFFAOYSA-N 2 1 348.494 3.402 20 0 EGADMP OC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000671497767 548298874 /nfs/dbraw/zinc/29/88/74/548298874.db2.gz YUQIWZFHOZWBPK-VNXMGFANSA-N 2 1 342.527 3.428 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000671730335 548346137 /nfs/dbraw/zinc/34/61/37/548346137.db2.gz NZWKQKQJADSIAX-FQEVSTJZSA-N 2 1 345.531 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@H]1CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000671730335 548346140 /nfs/dbraw/zinc/34/61/40/548346140.db2.gz NZWKQKQJADSIAX-FQEVSTJZSA-N 2 1 345.531 3.125 20 0 EGADMP Cc1ccccc1C[NH+]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000675489443 548928559 /nfs/dbraw/zinc/92/85/59/548928559.db2.gz XISMMMSLQIKDJU-NRFANRHFSA-N 2 1 329.532 3.377 20 0 EGADMP Cc1ccccc1C[N@H+]1CCCN(CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000675489443 548928561 /nfs/dbraw/zinc/92/85/61/548928561.db2.gz XISMMMSLQIKDJU-NRFANRHFSA-N 2 1 329.532 3.377 20 0 EGADMP Cc1ccccc1C[N@@H+]1CCCN(CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000675489443 548928564 /nfs/dbraw/zinc/92/85/64/548928564.db2.gz XISMMMSLQIKDJU-NRFANRHFSA-N 2 1 329.532 3.377 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000675752168 548974698 /nfs/dbraw/zinc/97/46/98/548974698.db2.gz MEKNELUPJKKUQB-JVPBZIDWSA-N 2 1 342.487 3.248 20 0 EGADMP CCOc1cccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000675883286 548997033 /nfs/dbraw/zinc/99/70/33/548997033.db2.gz ZHUIOZWJMXQYER-UZLBHIALSA-N 2 1 332.488 3.379 20 0 EGADMP Fc1ccc(Br)cc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677238065 549234608 /nfs/dbraw/zinc/23/46/08/549234608.db2.gz VTXOZRQWMDEXHQ-CABCVRRESA-N 2 1 341.268 3.347 20 0 EGADMP Fc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000677320763 549248113 /nfs/dbraw/zinc/24/81/13/549248113.db2.gz MTIRZGUGCAUPLM-HNNXBMFYSA-N 2 1 326.843 3.212 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1COc2ccccc2O1 ZINC000678123493 549401459 /nfs/dbraw/zinc/40/14/59/549401459.db2.gz YSIBAYYZBCMOQI-LJQANCHMSA-N 2 1 340.467 3.410 20 0 EGADMP CC[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H](C)O1 ZINC000678214186 549426420 /nfs/dbraw/zinc/42/64/20/549426420.db2.gz MYBLVEVHHLEXJF-IEBWSBKVSA-N 2 1 332.488 3.161 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H](C)O1 ZINC000678214186 549426421 /nfs/dbraw/zinc/42/64/21/549426421.db2.gz MYBLVEVHHLEXJF-IEBWSBKVSA-N 2 1 332.488 3.161 20 0 EGADMP O=C(NC1CC1)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000678274032 549454791 /nfs/dbraw/zinc/45/47/91/549454791.db2.gz PSYZXEWLTCJTBZ-HXUWFJFHSA-N 2 1 341.499 3.029 20 0 EGADMP O=C(NC1CC1)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000678274032 549454794 /nfs/dbraw/zinc/45/47/94/549454794.db2.gz PSYZXEWLTCJTBZ-HXUWFJFHSA-N 2 1 341.499 3.029 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1nc(-c2ccccc2)no1 ZINC000678609078 549531500 /nfs/dbraw/zinc/53/15/00/549531500.db2.gz CIEAYBGONLGCPO-OIISXLGYSA-N 2 1 326.444 3.057 20 0 EGADMP CCCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000678718782 549547741 /nfs/dbraw/zinc/54/77/41/549547741.db2.gz CMMULRHEYCMNGS-HXUWFJFHSA-N 2 1 345.531 3.076 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2nc3c(s2)CCCC3)C[C@H](C)O1 ZINC000678950640 549602480 /nfs/dbraw/zinc/60/24/80/549602480.db2.gz DHSLPYYDUHFBNS-GASCZTMLSA-N 2 1 337.533 3.001 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000679113526 549638415 /nfs/dbraw/zinc/63/84/15/549638415.db2.gz WYPKAESCMXNYPO-HXUWFJFHSA-N 2 1 332.488 3.018 20 0 EGADMP Cc1cccc([C@H]2CC[NH+](C[C@H](O)C[N@@H+](C)Cc3ccccc3)C2)c1 ZINC000680107807 549821047 /nfs/dbraw/zinc/82/10/47/549821047.db2.gz JEDSRJBVURVPSP-FCHUYYIVSA-N 2 1 338.495 3.277 20 0 EGADMP Cc1cccc([C@H]2CC[NH+](C[C@H](O)C[N@H+](C)Cc3ccccc3)C2)c1 ZINC000680107807 549821051 /nfs/dbraw/zinc/82/10/51/549821051.db2.gz JEDSRJBVURVPSP-FCHUYYIVSA-N 2 1 338.495 3.277 20 0 EGADMP Cc1cccc([C@H]2CC[N@@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)C2)c1 ZINC000680107807 549821053 /nfs/dbraw/zinc/82/10/53/549821053.db2.gz JEDSRJBVURVPSP-FCHUYYIVSA-N 2 1 338.495 3.277 20 0 EGADMP Cc1cccc([C@H]2CC[N@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)C2)c1 ZINC000680107807 549821055 /nfs/dbraw/zinc/82/10/55/549821055.db2.gz JEDSRJBVURVPSP-FCHUYYIVSA-N 2 1 338.495 3.277 20 0 EGADMP Cc1cccc([C@@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)Cc3ccccc3)C2)c1 ZINC000680107819 549821107 /nfs/dbraw/zinc/82/11/07/549821107.db2.gz JEDSRJBVURVPSP-YADHBBJMSA-N 2 1 338.495 3.277 20 0 EGADMP Cc1cccc([C@@H]2CC[NH+](C[C@@H](O)C[N@H+](C)Cc3ccccc3)C2)c1 ZINC000680107819 549821109 /nfs/dbraw/zinc/82/11/09/549821109.db2.gz JEDSRJBVURVPSP-YADHBBJMSA-N 2 1 338.495 3.277 20 0 EGADMP Cc1cccc([C@@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)Cc3ccccc3)C2)c1 ZINC000680107819 549821111 /nfs/dbraw/zinc/82/11/11/549821111.db2.gz JEDSRJBVURVPSP-YADHBBJMSA-N 2 1 338.495 3.277 20 0 EGADMP Cc1cccc([C@@H]2CC[N@H+](C[C@@H](O)C[NH+](C)Cc3ccccc3)C2)c1 ZINC000680107819 549821112 /nfs/dbraw/zinc/82/11/12/549821112.db2.gz JEDSRJBVURVPSP-YADHBBJMSA-N 2 1 338.495 3.277 20 0 EGADMP Cc1csc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000681387039 549990349 /nfs/dbraw/zinc/99/03/49/549990349.db2.gz CVFLHMQVHMKMML-SJLPKXTDSA-N 2 1 329.513 3.494 20 0 EGADMP COc1cc(C)c([C@@H](C)[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1C ZINC000682071521 550068558 /nfs/dbraw/zinc/06/85/58/550068558.db2.gz OWCMNJQVAVAXMN-RTBURBONSA-N 2 1 345.531 3.085 20 0 EGADMP CC[C@@]1(C)C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000682408387 550095540 /nfs/dbraw/zinc/09/55/40/550095540.db2.gz XNZRZWDZCJFATB-FQEVSTJZSA-N 2 1 332.488 3.162 20 0 EGADMP CC[C@@]1(C)C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000682408387 550095543 /nfs/dbraw/zinc/09/55/43/550095543.db2.gz XNZRZWDZCJFATB-FQEVSTJZSA-N 2 1 332.488 3.162 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C/C=C\c1ccc(F)c(F)c1 ZINC000685420461 550414703 /nfs/dbraw/zinc/41/47/03/550414703.db2.gz XKHVWCQEINXQRA-CGAUQZBBSA-N 2 1 336.426 3.162 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C/C=C\c1ccc(F)c(F)c1 ZINC000685420461 550414706 /nfs/dbraw/zinc/41/47/06/550414706.db2.gz XKHVWCQEINXQRA-CGAUQZBBSA-N 2 1 336.426 3.162 20 0 EGADMP Cc1cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1Cl ZINC000685457343 550418805 /nfs/dbraw/zinc/41/88/05/550418805.db2.gz BCFRLLPVWVJZBJ-GOSISDBHSA-N 2 1 335.923 3.249 20 0 EGADMP CCCC[N@H+]1Cc2cccc(NC(=S)NC3CC[NH+](C)CC3)c2C1 ZINC000727289871 574659068 /nfs/dbraw/zinc/65/90/68/574659068.db2.gz HKSPFXCCOIPWRM-UHFFFAOYSA-N 2 1 346.544 3.183 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000729316311 574837664 /nfs/dbraw/zinc/83/76/64/574837664.db2.gz GEXCOSHSJVBOEI-FQEVSTJZSA-N 2 1 343.515 3.033 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000729682716 574878672 /nfs/dbraw/zinc/87/86/72/574878672.db2.gz AGAMAKACDSYJJA-SJORKVTESA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000309947793 574981122 /nfs/dbraw/zinc/98/11/22/574981122.db2.gz ZHPLQTMMPBXAIH-GTPINHCMSA-N 2 1 339.524 3.142 20 0 EGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@H](C(C)C)CC1=O ZINC000733297551 575325823 /nfs/dbraw/zinc/32/58/23/575325823.db2.gz OQSFULKSAOUTCT-LJQANCHMSA-N 2 1 331.504 3.032 20 0 EGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@H](C(C)C)CC1=O ZINC000733297551 575325825 /nfs/dbraw/zinc/32/58/25/575325825.db2.gz OQSFULKSAOUTCT-LJQANCHMSA-N 2 1 331.504 3.032 20 0 EGADMP Fc1cc(F)cc(Oc2ccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC000678343735 576168151 /nfs/dbraw/zinc/16/81/51/576168151.db2.gz ZNDPHLHITODJRW-GJZGRUSLSA-N 2 1 330.378 3.408 20 0 EGADMP COc1ccc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)cc1 ZINC000678686094 576169514 /nfs/dbraw/zinc/16/95/14/576169514.db2.gz OGWHKMGLMDSAQP-LEWJYISDSA-N 2 1 344.499 3.379 20 0 EGADMP Cc1ccc(N2CC[C@@H]([NH+]3CCC(C[N@H+](C)C(C)C)CC3)C2=O)cc1 ZINC000741781485 576720482 /nfs/dbraw/zinc/72/04/82/576720482.db2.gz BFSQDBDTKDXDRZ-HXUWFJFHSA-N 2 1 343.515 3.153 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000061012166 1291956338 /nfs/dbraw/zinc/95/63/38/1291956338.db2.gz YSJVRBSWAYUXQX-UHFFFAOYSA-N 2 1 326.868 3.179 20 0 EGADMP CC[NH+](CC)[C@@H](CNC(=O)CCCn1cc[nH+]c1C)c1ccsc1 ZINC000069001818 1292225927 /nfs/dbraw/zinc/22/59/27/1292225927.db2.gz QMAJVVQMIIXNKQ-KRWDZBQOSA-N 2 1 348.516 3.233 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000069445793 1292243188 /nfs/dbraw/zinc/24/31/88/1292243188.db2.gz LFOMWWSTGVOHFY-FQEVSTJZSA-N 2 1 343.515 3.163 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3COc4ccccc4C3)CC2)cc1 ZINC000078482752 1292511545 /nfs/dbraw/zinc/51/15/45/1292511545.db2.gz RUFVJCQBGCZCSD-IBGZPJMESA-N 2 1 336.479 3.492 20 0 EGADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3COc4ccccc4C3)CC2)cc1 ZINC000078482756 1292511909 /nfs/dbraw/zinc/51/19/09/1292511909.db2.gz RUFVJCQBGCZCSD-LJQANCHMSA-N 2 1 336.479 3.492 20 0 EGADMP CN(C[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000089426635 1292769012 /nfs/dbraw/zinc/76/90/12/1292769012.db2.gz MLLCYQDUGATIDF-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP CN(C[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000089426635 1292769019 /nfs/dbraw/zinc/76/90/19/1292769019.db2.gz MLLCYQDUGATIDF-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP CN(C[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000089426635 1292769030 /nfs/dbraw/zinc/76/90/30/1292769030.db2.gz MLLCYQDUGATIDF-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP CCCCOC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821587 1292892060 /nfs/dbraw/zinc/89/20/60/1292892060.db2.gz SPWYBTRNHJEFPN-QGZVFWFLSA-N 2 1 347.503 3.352 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000105451372 1293036580 /nfs/dbraw/zinc/03/65/80/1293036580.db2.gz RLUXFDHCDNYXFO-UHFFFAOYSA-N 2 1 341.499 3.310 20 0 EGADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(-c2cc3ccccc3o2)n1 ZINC000108428575 1293080616 /nfs/dbraw/zinc/08/06/16/1293080616.db2.gz LNDTZUBYTHSWNN-HNNXBMFYSA-N 2 1 338.455 3.265 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(Br)nc1 ZINC000834908933 1293172985 /nfs/dbraw/zinc/17/29/85/1293172985.db2.gz MWGQSLYPMNJKPM-GFCCVEGCSA-N 2 1 326.282 3.369 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3C)nc1)CC2 ZINC000121109948 1293356835 /nfs/dbraw/zinc/35/68/35/1293356835.db2.gz ASKCVVQGSGAEEF-LJQANCHMSA-N 2 1 348.450 3.231 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)CC[N@@H+]1C ZINC000124475181 1293476510 /nfs/dbraw/zinc/47/65/10/1293476510.db2.gz AWWCVXMEABMGIK-YVWKXTFCSA-N 2 1 338.499 3.381 20 0 EGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)CC[N@H+]1C ZINC000124475181 1293476512 /nfs/dbraw/zinc/47/65/12/1293476512.db2.gz AWWCVXMEABMGIK-YVWKXTFCSA-N 2 1 338.499 3.381 20 0 EGADMP c1cc(N2CCCC2)ncc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000133288079 1293741106 /nfs/dbraw/zinc/74/11/06/1293741106.db2.gz NPEAQXQGTHHWPU-UHFFFAOYSA-N 2 1 328.504 3.178 20 0 EGADMP C[C@H](CCC1CCCCC1)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000134329650 1293771146 /nfs/dbraw/zinc/77/11/46/1293771146.db2.gz RWFZMXDJPFJCQF-QGZVFWFLSA-N 2 1 345.535 3.067 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccnc(Cl)c1 ZINC000160474190 1294269106 /nfs/dbraw/zinc/26/91/06/1294269106.db2.gz NOPXOOZRZCPVEZ-HNNXBMFYSA-N 2 1 345.874 3.418 20 0 EGADMP CCc1ccc2c(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cc(=O)oc2c1 ZINC000161368581 1294290839 /nfs/dbraw/zinc/29/08/39/1294290839.db2.gz KYKUBMSDTHZNNT-UHFFFAOYSA-N 2 1 349.434 3.073 20 0 EGADMP COCc1cc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)ccc1OC ZINC000178703551 1294751888 /nfs/dbraw/zinc/75/18/88/1294751888.db2.gz QEJAXRBPFXEJAE-CABCVRRESA-N 2 1 331.460 3.333 20 0 EGADMP CCCCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1(C)C ZINC000181851806 1294997666 /nfs/dbraw/zinc/99/76/66/1294997666.db2.gz XLYKKBJCLIFSMM-OALUTQOASA-N 2 1 340.552 3.449 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000237404833 1296240535 /nfs/dbraw/zinc/24/05/35/1296240535.db2.gz YAZYIQNDWAFBCD-JXFKEZNVSA-N 2 1 343.471 3.175 20 0 EGADMP C[C@@H]1C[C@@H](NCC(C)(C)C[NH+](C)Cc2ccccc2)C[N@H+]1C1CC1 ZINC000237570952 1296250059 /nfs/dbraw/zinc/25/00/59/1296250059.db2.gz UUIFRTSUGGDXND-IEBWSBKVSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000237570952 1296250067 /nfs/dbraw/zinc/25/00/67/1296250067.db2.gz UUIFRTSUGGDXND-IEBWSBKVSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)C[NH+]1C1CC1 ZINC000237570952 1296250075 /nfs/dbraw/zinc/25/00/75/1296250075.db2.gz UUIFRTSUGGDXND-IEBWSBKVSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CN1C1CC1 ZINC000237570952 1296250085 /nfs/dbraw/zinc/25/00/85/1296250085.db2.gz UUIFRTSUGGDXND-IEBWSBKVSA-N 2 1 329.532 3.359 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CN1C1CC1 ZINC000237570952 1296250099 /nfs/dbraw/zinc/25/00/99/1296250099.db2.gz UUIFRTSUGGDXND-IEBWSBKVSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)(O)[C@@H]1CCC[NH+]1CCCCCC[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000245718179 1296322201 /nfs/dbraw/zinc/32/22/01/1296322201.db2.gz ACCDAFQYIQXTCH-ROUUACIJSA-N 2 1 340.552 3.017 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261547214 1296593460 /nfs/dbraw/zinc/59/34/60/1296593460.db2.gz HRTUXZSMUWXCBV-GIVPXCGWSA-N 2 1 329.532 3.409 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261547214 1296593470 /nfs/dbraw/zinc/59/34/70/1296593470.db2.gz HRTUXZSMUWXCBV-GIVPXCGWSA-N 3 1 329.532 3.409 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261547214 1296593478 /nfs/dbraw/zinc/59/34/78/1296593478.db2.gz HRTUXZSMUWXCBV-GIVPXCGWSA-N 3 1 329.532 3.409 20 0 EGADMP Cc1cc(C)c(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(C)c1 ZINC000261661854 1296597148 /nfs/dbraw/zinc/59/71/48/1296597148.db2.gz KSBVBVXHOFGVIK-GOSISDBHSA-N 2 1 329.488 3.014 20 0 EGADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])ccc1OC(F)F ZINC000261757487 1296601335 /nfs/dbraw/zinc/60/13/35/1296601335.db2.gz POHMWSNEUTVFIR-CQSZACIVSA-N 2 1 328.403 3.390 20 0 EGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCCc3cc(OC)c(OC)cc32)C1 ZINC000872025257 1296667835 /nfs/dbraw/zinc/66/78/35/1296667835.db2.gz JEXRTODXQZWVDX-YJBOKZPZSA-N 2 1 332.488 3.403 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cccc(O)c1F ZINC000872025744 1296672398 /nfs/dbraw/zinc/67/23/98/1296672398.db2.gz SKIRWYOYJMXJEJ-CQSZACIVSA-N 2 1 332.419 3.323 20 0 EGADMP CNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000872156222 1296776789 /nfs/dbraw/zinc/77/67/89/1296776789.db2.gz GKFLFDQLXKBCCW-FXAWDEMLSA-N 2 1 343.515 3.166 20 0 EGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2)C1)C1CCCC1 ZINC000872157832 1296777199 /nfs/dbraw/zinc/77/71/99/1296777199.db2.gz RJYGKEQCHYSOAN-APWZRJJASA-N 2 1 329.488 3.245 20 0 EGADMP OCC[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000304340939 1296920393 /nfs/dbraw/zinc/92/03/93/1296920393.db2.gz SWTLAXDLBDPOQI-OAQYLSRUSA-N 2 1 338.495 3.407 20 0 EGADMP CCC[NH+]1CCC([NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000305143332 1296985065 /nfs/dbraw/zinc/98/50/65/1296985065.db2.gz QXXVZUFQBDYBDT-MRXNPFEDSA-N 2 1 331.287 3.491 20 0 EGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000305378411 1297012162 /nfs/dbraw/zinc/01/21/62/1297012162.db2.gz VTIOCXPLZYKLMC-ZWKOTPCHSA-N 2 1 340.870 3.337 20 0 EGADMP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C(C)C ZINC000309909226 1297078522 /nfs/dbraw/zinc/07/85/22/1297078522.db2.gz TVZWGHQXRXAMQC-IAGOWNOFSA-N 2 1 341.540 3.388 20 0 EGADMP Cc1ccc(Br)c(F)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000873012249 1297220954 /nfs/dbraw/zinc/22/09/54/1297220954.db2.gz FKHHQNNMXFBOEC-GFCCVEGCSA-N 2 1 341.268 3.471 20 0 EGADMP Cc1ccc(Br)c(F)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000873012249 1297220964 /nfs/dbraw/zinc/22/09/64/1297220964.db2.gz FKHHQNNMXFBOEC-GFCCVEGCSA-N 2 1 341.268 3.471 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1n1cncn1 ZINC000340235120 1297310016 /nfs/dbraw/zinc/31/00/16/1297310016.db2.gz KIAAEQCWGNSLGZ-MKXGPGLRSA-N 2 1 333.524 3.252 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1n1cncn1 ZINC000340235120 1297310030 /nfs/dbraw/zinc/31/00/30/1297310030.db2.gz KIAAEQCWGNSLGZ-MKXGPGLRSA-N 2 1 333.524 3.252 20 0 EGADMP COc1ccccc1[C@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873204438 1297351059 /nfs/dbraw/zinc/35/10/59/1297351059.db2.gz BJQXFEKLKASVJO-AWEZNQCLSA-N 2 1 328.481 3.392 20 0 EGADMP C[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](c2ccsc2)O1 ZINC000873208424 1297351618 /nfs/dbraw/zinc/35/16/18/1297351618.db2.gz VVZLVFJUHUHFJQ-WBMJQRKESA-N 2 1 334.510 3.417 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](c2ccsc2)O1 ZINC000873208424 1297351626 /nfs/dbraw/zinc/35/16/26/1297351626.db2.gz VVZLVFJUHUHFJQ-WBMJQRKESA-N 2 1 334.510 3.417 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873208304 1297351668 /nfs/dbraw/zinc/35/16/68/1297351668.db2.gz SUJKHDHTTXEPOF-GOSISDBHSA-N 2 1 341.524 3.100 20 0 EGADMP CN(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873208304 1297351678 /nfs/dbraw/zinc/35/16/78/1297351678.db2.gz SUJKHDHTTXEPOF-GOSISDBHSA-N 2 1 341.524 3.100 20 0 EGADMP CN(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873208304 1297351690 /nfs/dbraw/zinc/35/16/90/1297351690.db2.gz SUJKHDHTTXEPOF-GOSISDBHSA-N 2 1 341.524 3.100 20 0 EGADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000873223936 1297364347 /nfs/dbraw/zinc/36/43/47/1297364347.db2.gz VDJUEJASBYLNQN-HXUWFJFHSA-N 2 1 344.478 3.267 20 0 EGADMP C[C@H](CC[NH2+]C[C@@H](O)c1c(F)cccc1F)[N@H+](C)Cc1ccccc1 ZINC000379630897 1297535710 /nfs/dbraw/zinc/53/57/10/1297535710.db2.gz LKZGDFAIEQQQJS-DNVCBOLYSA-N 2 1 348.437 3.498 20 0 EGADMP C[C@H](CC[NH2+]C[C@@H](O)c1c(F)cccc1F)[N@@H+](C)Cc1ccccc1 ZINC000379630897 1297535720 /nfs/dbraw/zinc/53/57/20/1297535720.db2.gz LKZGDFAIEQQQJS-DNVCBOLYSA-N 2 1 348.437 3.498 20 0 EGADMP C[C@H]1CCC[C@](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)([NH+](C)C)C1 ZINC000380207774 1297544315 /nfs/dbraw/zinc/54/43/15/1297544315.db2.gz SRONGKSRWVKLIW-KXBFYZLASA-N 2 1 341.540 3.390 20 0 EGADMP C[N@H+](CC[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000382381559 1297558755 /nfs/dbraw/zinc/55/87/55/1297558755.db2.gz BPBZASDRLJJVMB-RDJZCZTQSA-N 2 1 339.524 3.144 20 0 EGADMP C[N@@H+](CC[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000382381559 1297558765 /nfs/dbraw/zinc/55/87/65/1297558765.db2.gz BPBZASDRLJJVMB-RDJZCZTQSA-N 2 1 339.524 3.144 20 0 EGADMP CC(C)(C)OC(=O)N(CC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(C)(C)C ZINC000382907137 1297566104 /nfs/dbraw/zinc/56/61/04/1297566104.db2.gz WVEOWYRDGMXRFC-CVEARBPZSA-N 2 1 339.524 3.238 20 0 EGADMP CC(C)(C)OC(=O)N(CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C(C)(C)C ZINC000382907137 1297566111 /nfs/dbraw/zinc/56/61/11/1297566111.db2.gz WVEOWYRDGMXRFC-CVEARBPZSA-N 2 1 339.524 3.238 20 0 EGADMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000383326313 1297570071 /nfs/dbraw/zinc/57/00/71/1297570071.db2.gz CMBMZRGMDHYDJZ-XLIONFOSSA-N 2 1 344.886 3.485 20 0 EGADMP C[C@@]1(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCC[NH2+]C1 ZINC000392235892 1297654393 /nfs/dbraw/zinc/65/43/93/1297654393.db2.gz ZQGCJVAKRHMNBR-QGZVFWFLSA-N 2 1 341.421 3.217 20 0 EGADMP CC(C)[NH+]1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000393399355 1297666429 /nfs/dbraw/zinc/66/64/29/1297666429.db2.gz LOSYQLFBBHGWHB-UHFFFAOYSA-N 2 1 338.879 3.464 20 0 EGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000398153045 1297716866 /nfs/dbraw/zinc/71/68/66/1297716866.db2.gz PUVIKBFDCNMNDA-QFBILLFUSA-N 2 1 338.451 3.416 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000398153045 1297716873 /nfs/dbraw/zinc/71/68/73/1297716873.db2.gz PUVIKBFDCNMNDA-QFBILLFUSA-N 2 1 338.451 3.416 20 0 EGADMP CCCC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000404518648 1297755347 /nfs/dbraw/zinc/75/53/47/1297755347.db2.gz URAHURMOWARMEL-ZMMAXQRCSA-N 2 1 331.504 3.014 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C12CCC2 ZINC000404542246 1297755546 /nfs/dbraw/zinc/75/55/46/1297755546.db2.gz RGVMZHXESSLASH-LUKYLMHMSA-N 2 1 349.519 3.039 20 0 EGADMP CC(C)[NH+](CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C(C)C ZINC000692154432 1298141077 /nfs/dbraw/zinc/14/10/77/1298141077.db2.gz RVQQVDJRDJJEBR-IRXDYDNUSA-N 2 1 341.540 3.483 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695206986 1298159522 /nfs/dbraw/zinc/15/95/22/1298159522.db2.gz VJOSTWCZQUEVJB-INIZCTEOSA-N 2 1 341.540 3.342 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695206986 1298159527 /nfs/dbraw/zinc/15/95/27/1298159527.db2.gz VJOSTWCZQUEVJB-INIZCTEOSA-N 2 1 341.540 3.342 20 0 EGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700805375 1298179605 /nfs/dbraw/zinc/17/96/05/1298179605.db2.gz SHZVTBPWZOIEQO-IRXDYDNUSA-N 2 1 341.540 3.105 20 0 EGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000702628433 1298196186 /nfs/dbraw/zinc/19/61/86/1298196186.db2.gz LKKDPFRYWZDDFV-NJYVYQBISA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000702628433 1298196189 /nfs/dbraw/zinc/19/61/89/1298196189.db2.gz LKKDPFRYWZDDFV-NJYVYQBISA-N 2 1 330.516 3.428 20 0 EGADMP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000704493330 1298207900 /nfs/dbraw/zinc/20/79/00/1298207900.db2.gz FBFARANFGONLLD-RBUKOAKNSA-N 2 1 345.531 3.167 20 0 EGADMP [NH3+]CCCCCC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000709627918 1298250094 /nfs/dbraw/zinc/25/00/94/1298250094.db2.gz KEZRENNHVYHZGO-IBGZPJMESA-N 2 1 331.504 3.067 20 0 EGADMP [NH3+]CC[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000723687345 1298341627 /nfs/dbraw/zinc/34/16/27/1298341627.db2.gz TUZLWDGGKPTSFJ-NSHDSACASA-N 2 1 347.684 3.152 20 0 EGADMP O[C@H](C[N@H+](CCc1ccccc1F)C1CCCC1)C[NH+]1CCCC1 ZINC000746656817 1298632427 /nfs/dbraw/zinc/63/24/27/1298632427.db2.gz ALLLZKYCFHUGJX-IBGZPJMESA-N 2 1 334.479 3.070 20 0 EGADMP O[C@H](C[N@@H+](CCc1ccccc1F)C1CCCC1)C[NH+]1CCCC1 ZINC000746656817 1298632437 /nfs/dbraw/zinc/63/24/37/1298632437.db2.gz ALLLZKYCFHUGJX-IBGZPJMESA-N 2 1 334.479 3.070 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC000876730910 1298944562 /nfs/dbraw/zinc/94/45/62/1298944562.db2.gz MEPLWKHMIPLJCC-GOSISDBHSA-N 2 1 347.503 3.095 20 0 EGADMP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000876949226 1299082996 /nfs/dbraw/zinc/08/29/96/1299082996.db2.gz OZYAFRXECDELDQ-CEWLAPEOSA-N 2 1 327.516 3.284 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000877528491 1299370588 /nfs/dbraw/zinc/37/05/88/1299370588.db2.gz BOVFWYDURSRLOZ-FFSVYQOJSA-N 2 1 331.287 3.489 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000750665642 1299438092 /nfs/dbraw/zinc/43/80/92/1299438092.db2.gz CGFUTVSBOLPCLT-UHFFFAOYSA-N 2 1 346.519 3.086 20 0 EGADMP C[C@H](NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160935 1301228225 /nfs/dbraw/zinc/22/82/25/1301228225.db2.gz UIXVOOZWOAYZSE-CYZMBNFOSA-N 2 1 344.286 3.089 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160935 1301228227 /nfs/dbraw/zinc/22/82/27/1301228227.db2.gz UIXVOOZWOAYZSE-CYZMBNFOSA-N 2 1 344.286 3.089 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=S)NCC3CC[NH+](C)CC3)c2C1 ZINC000760483179 1301281044 /nfs/dbraw/zinc/28/10/44/1301281044.db2.gz MCXBWMGGWUPDMI-UHFFFAOYSA-N 2 1 346.544 3.040 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=S)NCC3CC[NH+](C)CC3)c2C1 ZINC000760483179 1301281051 /nfs/dbraw/zinc/28/10/51/1301281051.db2.gz MCXBWMGGWUPDMI-UHFFFAOYSA-N 2 1 346.544 3.040 20 0 EGADMP C[C@H](CN[C@H](C)c1cccc(OCC[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000765256038 1302231097 /nfs/dbraw/zinc/23/10/97/1302231097.db2.gz RSGFHMSJWYRQNM-QZTJIDSGSA-N 2 1 333.520 3.152 20 0 EGADMP C[C@@H](NC[C@H](C)[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000765256040 1302231417 /nfs/dbraw/zinc/23/14/17/1302231417.db2.gz RSGFHMSJWYRQNM-ZWKOTPCHSA-N 2 1 333.520 3.152 20 0 EGADMP CCc1nc2c(s1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCC2 ZINC000765975815 1302362118 /nfs/dbraw/zinc/36/21/18/1302362118.db2.gz KUMNFXFMVKZWDR-HZPDHXFCSA-N 2 1 349.544 3.316 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000885922903 1303278364 /nfs/dbraw/zinc/27/83/64/1303278364.db2.gz LAQORHQGMCWBMF-HXUWFJFHSA-N 2 1 346.515 3.345 20 0 EGADMP C[NH+](Cc1cscn1)[C@H]1CC[C@H]([N@@H+](C)Cc2cscn2)CC1 ZINC000886393826 1303455335 /nfs/dbraw/zinc/45/53/35/1303455335.db2.gz DLJUGADLJRWRGQ-WKILWMFISA-N 2 1 336.530 3.475 20 0 EGADMP Cc1[nH]c(C2CC[NH+](CCC(=O)Nc3cccc(F)c3)CC2)[nH+]c1C ZINC000886665811 1303545417 /nfs/dbraw/zinc/54/54/17/1303545417.db2.gz HEMAFIAAIZMFGG-UHFFFAOYSA-N 2 1 344.434 3.374 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H](O)c1c(F)cccc1Cl ZINC000773030200 1303611311 /nfs/dbraw/zinc/61/13/11/1303611311.db2.gz LWRJNGWOYOGMGJ-SFDCBXKLSA-N 2 1 326.843 3.117 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](O)c1c(F)cccc1Cl ZINC000773030200 1303611313 /nfs/dbraw/zinc/61/13/13/1303611313.db2.gz LWRJNGWOYOGMGJ-SFDCBXKLSA-N 2 1 326.843 3.117 20 0 EGADMP C[C@H](COCc1ccccc1)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000886839700 1303617275 /nfs/dbraw/zinc/61/72/75/1303617275.db2.gz KMUNQOHBMUUMCM-WJMWBRGCSA-N 2 1 346.515 3.058 20 0 EGADMP C[C@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000775491842 1303973350 /nfs/dbraw/zinc/97/33/50/1303973350.db2.gz MEZNXMHQAWYSNQ-SVFBPWRDSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000775491842 1303973355 /nfs/dbraw/zinc/97/33/55/1303973355.db2.gz MEZNXMHQAWYSNQ-SVFBPWRDSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000775491842 1303973361 /nfs/dbraw/zinc/97/33/61/1303973361.db2.gz MEZNXMHQAWYSNQ-SVFBPWRDSA-N 2 1 329.532 3.361 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000888572953 1304200174 /nfs/dbraw/zinc/20/01/74/1304200174.db2.gz ZVCZKALDDKQIQO-UHFFFAOYSA-N 2 1 330.476 3.131 20 0 EGADMP CC[NH+]1CCC(Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)CC1 ZINC000777583976 1304321474 /nfs/dbraw/zinc/32/14/74/1304321474.db2.gz UMRGPPAFQZOSPG-KRWDZBQOSA-N 2 1 331.504 3.303 20 0 EGADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000778975527 1304513884 /nfs/dbraw/zinc/51/38/84/1304513884.db2.gz JZWVZBCKRVWFAN-AEFFLSMTSA-N 2 1 325.456 3.090 20 0 EGADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000778975527 1304513887 /nfs/dbraw/zinc/51/38/87/1304513887.db2.gz JZWVZBCKRVWFAN-AEFFLSMTSA-N 2 1 325.456 3.090 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCOC4CCC4)[C@H]3C2)cc1 ZINC000781420792 1304825209 /nfs/dbraw/zinc/82/52/09/1304825209.db2.gz FFGLESAUTFIVRE-JBACZVJFSA-N 2 1 328.500 3.446 20 0 EGADMP c1ccc(OCCCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000783625760 1305118971 /nfs/dbraw/zinc/11/89/71/1305118971.db2.gz DYXGXOOHEMJNNX-FQEVSTJZSA-N 2 1 332.488 3.079 20 0 EGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cnn(C)c2C2CC2)C1 ZINC000891823348 1305179028 /nfs/dbraw/zinc/17/90/28/1305179028.db2.gz QPRMTCGSWLODKZ-IAGOWNOFSA-N 2 1 330.520 3.384 20 0 EGADMP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1CC[NH+](C)CC1 ZINC000892160206 1305272243 /nfs/dbraw/zinc/27/22/43/1305272243.db2.gz VPWQTDAWWOSIQM-OAQYLSRUSA-N 3 1 329.532 3.172 20 0 EGADMP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1CC[NH+](C)CC1 ZINC000892160206 1305272251 /nfs/dbraw/zinc/27/22/51/1305272251.db2.gz VPWQTDAWWOSIQM-OAQYLSRUSA-N 3 1 329.532 3.172 20 0 EGADMP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1CC[NH+](C)CC1 ZINC000892160206 1305272255 /nfs/dbraw/zinc/27/22/55/1305272255.db2.gz VPWQTDAWWOSIQM-OAQYLSRUSA-N 3 1 329.532 3.172 20 0 EGADMP CC[N@H+](C[C@H]1CCN(Cc2ccccc2)C1)CC1CC[NH+](C)CC1 ZINC000892160206 1305272261 /nfs/dbraw/zinc/27/22/61/1305272261.db2.gz VPWQTDAWWOSIQM-OAQYLSRUSA-N 2 1 329.532 3.172 20 0 EGADMP CC[N@@H+](C[C@H]1CCN(Cc2ccccc2)C1)CC1CC[NH+](C)CC1 ZINC000892160206 1305272265 /nfs/dbraw/zinc/27/22/65/1305272265.db2.gz VPWQTDAWWOSIQM-OAQYLSRUSA-N 2 1 329.532 3.172 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccc2NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000892333422 1305320566 /nfs/dbraw/zinc/32/05/66/1305320566.db2.gz CZKZKWBLVKMYFT-XBPNIJIESA-N 2 1 343.515 3.333 20 0 EGADMP C[C@H]1C[NH+](Cc2ccccc2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000892333422 1305320573 /nfs/dbraw/zinc/32/05/73/1305320573.db2.gz CZKZKWBLVKMYFT-XBPNIJIESA-N 2 1 343.515 3.333 20 0 EGADMP COCCOC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000892581638 1305452111 /nfs/dbraw/zinc/45/21/11/1305452111.db2.gz ZVJZBGSDZDOLGA-ZWKOTPCHSA-N 2 1 334.504 3.202 20 0 EGADMP CCn1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(C)n1 ZINC000892737928 1305529350 /nfs/dbraw/zinc/52/93/50/1305529350.db2.gz OZWRQBMSAXTPIC-MRXNPFEDSA-N 2 1 332.517 3.275 20 0 EGADMP CCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)n1 ZINC000892737928 1305529358 /nfs/dbraw/zinc/52/93/58/1305529358.db2.gz OZWRQBMSAXTPIC-MRXNPFEDSA-N 2 1 332.517 3.275 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000788479635 1305953505 /nfs/dbraw/zinc/95/35/05/1305953505.db2.gz XVPZMZPWZVDVCD-SJORKVTESA-N 2 1 343.298 3.225 20 0 EGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000788507524 1305959135 /nfs/dbraw/zinc/95/91/35/1305959135.db2.gz PLMSFRUKRWQUCB-DLBZAZTESA-N 2 1 341.540 3.342 20 0 EGADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000788816567 1306022537 /nfs/dbraw/zinc/02/25/37/1306022537.db2.gz SYRZDKZSSTZKMT-OXQOHEQNSA-N 2 1 325.456 3.350 20 0 EGADMP O[C@@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(F)cc1 ZINC000789353364 1306145854 /nfs/dbraw/zinc/14/58/54/1306145854.db2.gz SKGLRGBJAYBGCH-IBGZPJMESA-N 2 1 343.446 3.272 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)nc1 ZINC000894555586 1308952102 /nfs/dbraw/zinc/95/21/02/1308952102.db2.gz YSTRMGJKBRLAJH-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000894555586 1308952110 /nfs/dbraw/zinc/95/21/10/1308952110.db2.gz YSTRMGJKBRLAJH-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP Cc1cc(C[N@@H+](C)CCCC[NH+]2CCCCC2)ccc1-n1cncn1 ZINC000895683643 1309462992 /nfs/dbraw/zinc/46/29/92/1309462992.db2.gz QOGQUYVLMLENNZ-UHFFFAOYSA-N 2 1 341.503 3.274 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+]2C(C)(C)C)[C@@H]1c1cccs1 ZINC000896642935 1309951262 /nfs/dbraw/zinc/95/12/62/1309951262.db2.gz FMYRBDNFRSIKGQ-BFYDXBDKSA-N 2 1 349.544 3.120 20 0 EGADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)[C@@H]1c1cccs1 ZINC000896642935 1309951267 /nfs/dbraw/zinc/95/12/67/1309951267.db2.gz FMYRBDNFRSIKGQ-BFYDXBDKSA-N 2 1 349.544 3.120 20 0 EGADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)[C@@H]1c1cccs1 ZINC000896642935 1309951270 /nfs/dbraw/zinc/95/12/70/1309951270.db2.gz FMYRBDNFRSIKGQ-BFYDXBDKSA-N 2 1 349.544 3.120 20 0 EGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000796653643 1310058089 /nfs/dbraw/zinc/05/80/89/1310058089.db2.gz PFCUWGKYHQYQPF-QBPKDAKJSA-N 2 1 339.524 3.094 20 0 EGADMP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH+]3C(C)(C)C)c2C1 ZINC000897099481 1310178996 /nfs/dbraw/zinc/17/89/96/1310178996.db2.gz RKECTTOIPJTOFW-GOSISDBHSA-N 2 1 329.488 3.470 20 0 EGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH+]3C(C)(C)C)c2C1 ZINC000897099481 1310179000 /nfs/dbraw/zinc/17/90/00/1310179000.db2.gz RKECTTOIPJTOFW-GOSISDBHSA-N 2 1 329.488 3.470 20 0 EGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H]3CC[N@@H+]3C(C)(C)C)c2C1 ZINC000897099481 1310179005 /nfs/dbraw/zinc/17/90/05/1310179005.db2.gz RKECTTOIPJTOFW-GOSISDBHSA-N 2 1 329.488 3.470 20 0 EGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H]3CC[N@H+]3C(C)(C)C)c2C1 ZINC000897099481 1310179007 /nfs/dbraw/zinc/17/90/07/1310179007.db2.gz RKECTTOIPJTOFW-GOSISDBHSA-N 2 1 329.488 3.470 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)cc1 ZINC000798963469 1310465713 /nfs/dbraw/zinc/46/57/13/1310465713.db2.gz CEIDFSKIRUHWBE-SFHVURJKSA-N 2 1 325.456 3.012 20 0 EGADMP COc1cccc(-c2cc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)on2)c1 ZINC000897841670 1310487812 /nfs/dbraw/zinc/48/78/12/1310487812.db2.gz NPIRPXZGPRBAEQ-MQVJKMGUSA-N 2 1 327.428 3.065 20 0 EGADMP CCN(CCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000799178182 1310500845 /nfs/dbraw/zinc/50/08/45/1310500845.db2.gz HEQOVPZJKKHJOZ-UHFFFAOYSA-N 2 1 335.458 3.069 20 0 EGADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CC1 ZINC000825331692 1320328979 /nfs/dbraw/zinc/32/89/79/1320328979.db2.gz LTDQFVSPNCDIOV-INIZCTEOSA-N 2 1 339.524 3.240 20 0 EGADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)CC1 ZINC000825331692 1320328983 /nfs/dbraw/zinc/32/89/83/1320328983.db2.gz LTDQFVSPNCDIOV-INIZCTEOSA-N 2 1 339.524 3.240 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000827602501 1320461914 /nfs/dbraw/zinc/46/19/14/1320461914.db2.gz WQYNBJNXNCZYGW-OWCLPIDISA-N 2 1 348.362 3.061 20 0 EGADMP CC(C)n1ncc2cc(C[NH2+]CC[C@H]3CCC[N@@H+](C)C3)c(Cl)nc21 ZINC000839181115 1320888269 /nfs/dbraw/zinc/88/82/69/1320888269.db2.gz GPGSHLWQMZVQAW-CQSZACIVSA-N 2 1 349.910 3.487 20 0 EGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857261708 1328525500 /nfs/dbraw/zinc/52/55/00/1328525500.db2.gz XYBAFMMXIKYLNF-PXNSSMCTSA-N 2 1 345.531 3.346 20 0 EGADMP CCCC[NH+](C)C[C@H](C)NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857261708 1328525501 /nfs/dbraw/zinc/52/55/01/1328525501.db2.gz XYBAFMMXIKYLNF-PXNSSMCTSA-N 2 1 345.531 3.346 20 0 EGADMP CCCC[NH+](C)C[C@H](C)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857261708 1328525502 /nfs/dbraw/zinc/52/55/02/1328525502.db2.gz XYBAFMMXIKYLNF-PXNSSMCTSA-N 2 1 345.531 3.346 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001018938494 1316980544 /nfs/dbraw/zinc/98/05/44/1316980544.db2.gz QYXVQOUPZYVBNF-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001018968097 1316989197 /nfs/dbraw/zinc/98/91/97/1316989197.db2.gz UFBHPSRCRCJFHX-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CC2=CCCCC2)C1 ZINC000957132006 1317203484 /nfs/dbraw/zinc/20/34/84/1317203484.db2.gz HCAPCOHGKINSFM-MOPGFXCFSA-N 2 1 347.547 3.140 20 0 EGADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC000957284512 1317260495 /nfs/dbraw/zinc/26/04/95/1317260495.db2.gz VHXKHJICOXTRDC-FQEVSTJZSA-N 2 1 347.547 3.286 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC000957284512 1317260502 /nfs/dbraw/zinc/26/05/02/1317260502.db2.gz VHXKHJICOXTRDC-FQEVSTJZSA-N 2 1 347.547 3.286 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001019632229 1317311626 /nfs/dbraw/zinc/31/16/26/1317311626.db2.gz FNDZEZZZVKLNAB-VQTJNVASSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)CC1 ZINC000957555402 1317452205 /nfs/dbraw/zinc/45/22/05/1317452205.db2.gz AURGWAWRXVNDDT-IBGZPJMESA-N 2 1 349.563 3.366 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806148294 1317465876 /nfs/dbraw/zinc/46/58/76/1317465876.db2.gz FLQHCYIADDNTRS-CGTJXYLNSA-N 2 1 349.906 3.080 20 0 EGADMP CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)CC2)CC1 ZINC000957592213 1317482788 /nfs/dbraw/zinc/48/27/88/1317482788.db2.gz QOAZRKBVLZCEMD-IBGZPJMESA-N 2 1 349.563 3.223 20 0 EGADMP CCCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000957647618 1317519522 /nfs/dbraw/zinc/51/95/22/1317519522.db2.gz PINYMVOENSSIGC-KDURUIRLSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3cccc(C)c3)C2)CC[N@H+]1C ZINC001020175365 1317574894 /nfs/dbraw/zinc/57/48/94/1317574894.db2.gz LRLSHNMSMGIMFB-RACLHMPKSA-N 2 1 343.515 3.023 20 0 EGADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000902418691 1317576857 /nfs/dbraw/zinc/57/68/57/1317576857.db2.gz YJUWOCXXRHNGOB-HNNXBMFYSA-N 2 1 336.439 3.055 20 0 EGADMP CC[N@@H+](CC1CCC1)CC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000957711039 1317583157 /nfs/dbraw/zinc/58/31/57/1317583157.db2.gz VODPPRGPIQRUST-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC1CCC1)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000957711039 1317583160 /nfs/dbraw/zinc/58/31/60/1317583160.db2.gz VODPPRGPIQRUST-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[NH+](CC1CCC1)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000957711039 1317583163 /nfs/dbraw/zinc/58/31/63/1317583163.db2.gz VODPPRGPIQRUST-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](CC1CCC1)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000957720414 1317588471 /nfs/dbraw/zinc/58/84/71/1317588471.db2.gz KKDQWBWEOQQCEU-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC1CCC1)CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000957720414 1317588477 /nfs/dbraw/zinc/58/84/77/1317588477.db2.gz KKDQWBWEOQQCEU-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](CC1CCC1)CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000957720414 1317588480 /nfs/dbraw/zinc/58/84/80/1317588480.db2.gz KKDQWBWEOQQCEU-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](CC1CC1)CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000957773041 1317637079 /nfs/dbraw/zinc/63/70/79/1317637079.db2.gz WCMMNIZGVBHDQM-UXHICEINSA-N 2 1 349.563 3.077 20 0 EGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c2ccccc2n1 ZINC000903104715 1317653519 /nfs/dbraw/zinc/65/35/19/1317653519.db2.gz WZUSXGPGPOBJSJ-ZNXRZULTSA-N 2 1 337.467 3.491 20 0 EGADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C[N@H+]1Cc1ccccc1 ZINC000903110839 1317654724 /nfs/dbraw/zinc/65/47/24/1317654724.db2.gz RNVROIBCIVZCDZ-BQAFMNHLSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[NH+]1Cc1ccccc1 ZINC000903110839 1317654729 /nfs/dbraw/zinc/65/47/29/1317654729.db2.gz RNVROIBCIVZCDZ-BQAFMNHLSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[NH+]1Cc1ccccc1 ZINC000903110839 1317654735 /nfs/dbraw/zinc/65/47/35/1317654735.db2.gz RNVROIBCIVZCDZ-BQAFMNHLSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CN1Cc1ccccc1 ZINC000903110839 1317654738 /nfs/dbraw/zinc/65/47/38/1317654738.db2.gz RNVROIBCIVZCDZ-BQAFMNHLSA-N 2 1 339.527 3.397 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CN1Cc1ccccc1 ZINC000903110839 1317654742 /nfs/dbraw/zinc/65/47/42/1317654742.db2.gz RNVROIBCIVZCDZ-BQAFMNHLSA-N 2 1 339.527 3.397 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1C ZINC000903115462 1317656211 /nfs/dbraw/zinc/65/62/11/1317656211.db2.gz NGQUYHLYVNWWHK-YNWKUBOOSA-N 2 1 330.516 3.434 20 0 EGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)CCO2 ZINC000903151518 1317664311 /nfs/dbraw/zinc/66/43/11/1317664311.db2.gz HDAZWMJPUUQQIU-RFXRPKLXSA-N 2 1 328.456 3.266 20 0 EGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CCO2 ZINC000903151518 1317664317 /nfs/dbraw/zinc/66/43/17/1317664317.db2.gz HDAZWMJPUUQQIU-RFXRPKLXSA-N 2 1 328.456 3.266 20 0 EGADMP OC[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@@H]1c1ccc(F)cc1 ZINC000903159714 1317664878 /nfs/dbraw/zinc/66/48/78/1317664878.db2.gz HNEJZLZHDOSDKJ-QQFYDIPVSA-N 2 1 344.474 3.039 20 0 EGADMP c1ccc(CN2CC[C@@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903204159 1317674195 /nfs/dbraw/zinc/67/41/95/1317674195.db2.gz QQJRRMRWQRVASQ-VCYXJBJXSA-N 2 1 325.500 3.008 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]2CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903204159 1317674199 /nfs/dbraw/zinc/67/41/99/1317674199.db2.gz QQJRRMRWQRVASQ-VCYXJBJXSA-N 2 1 325.500 3.008 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]2CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903204159 1317674205 /nfs/dbraw/zinc/67/42/05/1317674205.db2.gz QQJRRMRWQRVASQ-VCYXJBJXSA-N 2 1 325.500 3.008 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]2CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)cc1 ZINC000903204159 1317674210 /nfs/dbraw/zinc/67/42/10/1317674210.db2.gz QQJRRMRWQRVASQ-VCYXJBJXSA-N 2 1 325.500 3.008 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]2CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)cc1 ZINC000903204159 1317674211 /nfs/dbraw/zinc/67/42/11/1317674211.db2.gz QQJRRMRWQRVASQ-VCYXJBJXSA-N 2 1 325.500 3.008 20 0 EGADMP C[C@@H](COCC1CCCCC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000903355059 1317690397 /nfs/dbraw/zinc/69/03/97/1317690397.db2.gz QYVKIAMSHCCLMU-PXNSSMCTSA-N 2 1 338.536 3.205 20 0 EGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725833 1317725829 /nfs/dbraw/zinc/72/58/29/1317725829.db2.gz IBPIAFISOCHWII-MXEMCNAFSA-N 2 1 328.500 3.413 20 0 EGADMP Cc1ccc(C[C@H]2CCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903730388 1317727363 /nfs/dbraw/zinc/72/73/63/1317727363.db2.gz WBVLBAJUAIOTBT-UXHICEINSA-N 2 1 328.500 3.161 20 0 EGADMP c1ccc(SC[C@@H]2CC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC000903733945 1317727463 /nfs/dbraw/zinc/72/74/63/1317727463.db2.gz NCAYHGFWDHJGDX-MSOLQXFVSA-N 2 1 346.540 3.259 20 0 EGADMP c1ccc2sc([C@@H]3CCC[N@@H+]3C[C@H]3C[C@]4(CC[NH2+]C4)CO3)nc2c1 ZINC000903734484 1317727643 /nfs/dbraw/zinc/72/76/43/1317727643.db2.gz ZFSVGJBKGZHCTD-ALKREAHSSA-N 2 1 343.496 3.202 20 0 EGADMP Cc1nc([C@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)sc1C ZINC000903735481 1317728146 /nfs/dbraw/zinc/72/81/46/1317728146.db2.gz AQNIIFJUAHTGOV-DLBZAZTESA-N 2 1 349.544 3.098 20 0 EGADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1F ZINC000903767065 1317730839 /nfs/dbraw/zinc/73/08/39/1317730839.db2.gz SWGJTGBHRGJKCC-AEFFLSMTSA-N 2 1 348.462 3.130 20 0 EGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CCC1 ZINC000903811855 1317736686 /nfs/dbraw/zinc/73/66/86/1317736686.db2.gz OSTRCVWGUHLUIY-KKUMJFAQSA-N 2 1 334.426 3.470 20 0 EGADMP CC(C)(C)CC[C@H]([NH3+])C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000904368327 1317838126 /nfs/dbraw/zinc/83/81/26/1317838126.db2.gz QEWKMURPZBWBCX-AWEZNQCLSA-N 2 1 332.517 3.491 20 0 EGADMP CC(C)c1ccc(C[NH+]2CCN(c3cc[nH+]c(CO)c3)CC2)cc1 ZINC000858319852 1328736651 /nfs/dbraw/zinc/73/66/51/1328736651.db2.gz SCFDDIPENYEDMV-UHFFFAOYSA-N 2 1 325.456 3.020 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2CCCC2)C1 ZINC001021380452 1318223418 /nfs/dbraw/zinc/22/34/18/1318223418.db2.gz GYKDYMBPBCSFGE-VOBGVNJCSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CCCC2)C1 ZINC001021380452 1318223424 /nfs/dbraw/zinc/22/34/24/1318223424.db2.gz GYKDYMBPBCSFGE-VOBGVNJCSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CCCCC2)C1 ZINC001021380696 1318223727 /nfs/dbraw/zinc/22/37/27/1318223727.db2.gz QGUDWXLMEBVRSI-VOBGVNJCSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCCCC2)C1 ZINC001021380696 1318223736 /nfs/dbraw/zinc/22/37/36/1318223736.db2.gz QGUDWXLMEBVRSI-VOBGVNJCSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCCC2)C1 ZINC001021380696 1318223747 /nfs/dbraw/zinc/22/37/47/1318223747.db2.gz QGUDWXLMEBVRSI-VOBGVNJCSA-N 2 1 347.547 3.020 20 0 EGADMP OCc1cc(N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc[nH+]1 ZINC000858403635 1328754268 /nfs/dbraw/zinc/75/42/68/1328754268.db2.gz IGSAHGNQYAKBBW-INIZCTEOSA-N 2 1 349.837 3.443 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC000960007331 1318309241 /nfs/dbraw/zinc/30/92/41/1318309241.db2.gz NUMOUYIFRCEUSG-ZWKOTPCHSA-N 2 1 349.544 3.092 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC([NH2+]CCC(C)C)C1 ZINC001100764794 1364251917 /nfs/dbraw/zinc/25/19/17/1364251917.db2.gz GEAWLHZHQKHFHA-UHFFFAOYSA-N 2 1 325.541 3.029 20 0 EGADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000909386998 1318467535 /nfs/dbraw/zinc/46/75/35/1318467535.db2.gz LGTHCHCRQWEMSZ-IFMALSPDSA-N 2 1 336.479 3.091 20 0 EGADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000909386998 1318467537 /nfs/dbraw/zinc/46/75/37/1318467537.db2.gz LGTHCHCRQWEMSZ-IFMALSPDSA-N 2 1 336.479 3.091 20 0 EGADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000909606085 1318500896 /nfs/dbraw/zinc/50/08/96/1318500896.db2.gz KTKWJRDQEZDPJZ-LJQANCHMSA-N 2 1 325.456 3.298 20 0 EGADMP CC1CC[NH+](CCC[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000813178461 1318511565 /nfs/dbraw/zinc/51/15/65/1318511565.db2.gz QPWOMAPBBYQLPM-UHFFFAOYSA-N 2 1 343.515 3.134 20 0 EGADMP CCSc1ccccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000930061129 1328775395 /nfs/dbraw/zinc/77/53/95/1328775395.db2.gz QOEMQPDOCSYKMM-FGTMMUONSA-N 2 1 334.529 3.482 20 0 EGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000858490589 1328777314 /nfs/dbraw/zinc/77/73/14/1328777314.db2.gz KBYNQXBNQVPWHW-IRXDYDNUSA-N 2 1 329.488 3.196 20 0 EGADMP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001021906733 1318727282 /nfs/dbraw/zinc/72/72/82/1318727282.db2.gz XARNKPGMIKZGGV-QLIIJSOBSA-N 2 1 343.515 3.202 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC000960662473 1318781413 /nfs/dbraw/zinc/78/14/13/1318781413.db2.gz IHLYVXMNYAEDLT-QGZVFWFLSA-N 2 1 349.544 3.146 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCCC1)C1CC1 ZINC000960685104 1318791866 /nfs/dbraw/zinc/79/18/66/1318791866.db2.gz UASDRBZPDWDWRZ-WOJBJXKFSA-N 2 1 349.563 3.220 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCCC1 ZINC000960755534 1318856261 /nfs/dbraw/zinc/85/62/61/1318856261.db2.gz XQRXLCDVZZYZCF-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCCC1 ZINC000960755534 1318856276 /nfs/dbraw/zinc/85/62/76/1318856276.db2.gz XQRXLCDVZZYZCF-LJQANCHMSA-N 2 1 346.519 3.085 20 0 EGADMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815143209 1318908648 /nfs/dbraw/zinc/90/86/48/1318908648.db2.gz GXEICZNJGWSACR-SJORKVTESA-N 2 1 342.405 3.157 20 0 EGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815143209 1318908659 /nfs/dbraw/zinc/90/86/59/1318908659.db2.gz GXEICZNJGWSACR-SJORKVTESA-N 2 1 342.405 3.157 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815143209 1318908667 /nfs/dbraw/zinc/90/86/67/1318908667.db2.gz GXEICZNJGWSACR-SJORKVTESA-N 2 1 342.405 3.157 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815143209 1318908675 /nfs/dbraw/zinc/90/86/75/1318908675.db2.gz GXEICZNJGWSACR-SJORKVTESA-N 2 1 342.405 3.157 20 0 EGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815143207 1318909455 /nfs/dbraw/zinc/90/94/55/1318909455.db2.gz GXEICZNJGWSACR-IAGOWNOFSA-N 2 1 342.405 3.157 20 0 EGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815143207 1318909465 /nfs/dbraw/zinc/90/94/65/1318909465.db2.gz GXEICZNJGWSACR-IAGOWNOFSA-N 2 1 342.405 3.157 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815143207 1318909477 /nfs/dbraw/zinc/90/94/77/1318909477.db2.gz GXEICZNJGWSACR-IAGOWNOFSA-N 2 1 342.405 3.157 20 0 EGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815143207 1318909486 /nfs/dbraw/zinc/90/94/86/1318909486.db2.gz GXEICZNJGWSACR-IAGOWNOFSA-N 2 1 342.405 3.157 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001022795009 1319113772 /nfs/dbraw/zinc/11/37/72/1319113772.db2.gz HTJKYTKIXICFDT-RYQLBKOJSA-N 2 1 340.471 3.005 20 0 EGADMP C[N@H+](C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH]cn1)CC1CCCCC1 ZINC000960985550 1319117994 /nfs/dbraw/zinc/11/79/94/1319117994.db2.gz YHSLQIFKWXZVHI-QGZVFWFLSA-N 2 1 346.519 3.190 20 0 EGADMP C[N@@H+](C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH]cn1)CC1CCCCC1 ZINC000960985550 1319117999 /nfs/dbraw/zinc/11/79/99/1319117999.db2.gz YHSLQIFKWXZVHI-QGZVFWFLSA-N 2 1 346.519 3.190 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC000961027755 1319149970 /nfs/dbraw/zinc/14/99/70/1319149970.db2.gz OVFOJXGZUAUQOO-LJQANCHMSA-N 2 1 343.515 3.085 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1=CCCCC1 ZINC000961031735 1319156375 /nfs/dbraw/zinc/15/63/75/1319156375.db2.gz OFDVQZJBDFGWML-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1=CCCCC1 ZINC000961031735 1319156378 /nfs/dbraw/zinc/15/63/78/1319156378.db2.gz OFDVQZJBDFGWML-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000961031735 1319156381 /nfs/dbraw/zinc/15/63/81/1319156381.db2.gz OFDVQZJBDFGWML-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961290978 1319449971 /nfs/dbraw/zinc/44/99/71/1319449971.db2.gz FJNKHDAMSZDJEE-VQTJNVASSA-N 2 1 349.563 3.223 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000817918252 1319460408 /nfs/dbraw/zinc/46/04/08/1319460408.db2.gz XKWZHXOHBDZTNX-RZAIGCCYSA-N 2 1 336.838 3.061 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817963047 1319479231 /nfs/dbraw/zinc/47/92/31/1319479231.db2.gz RETWOOVUDLWYFK-ARFHVFGLSA-N 2 1 327.513 3.272 20 0 EGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817963051 1319479771 /nfs/dbraw/zinc/47/97/71/1319479771.db2.gz RETWOOVUDLWYFK-HRCADAONSA-N 2 1 327.513 3.272 20 0 EGADMP COc1ccc([C@H](C)NCCC[NH2+]C2CC2)cc1C[NH+]1CCCCC1 ZINC000817983662 1319485195 /nfs/dbraw/zinc/48/51/95/1319485195.db2.gz HQLHNLDBKDYJJA-KRWDZBQOSA-N 2 1 345.531 3.474 20 0 EGADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001023413713 1319517428 /nfs/dbraw/zinc/51/74/28/1319517428.db2.gz IBIGQZKFHWNBLI-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+](CC2CCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001023413713 1319517435 /nfs/dbraw/zinc/51/74/35/1319517435.db2.gz IBIGQZKFHWNBLI-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP O=C(NC[C@@H]1CCC[NH+](CC2CCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001023413713 1319517444 /nfs/dbraw/zinc/51/74/44/1319517444.db2.gz IBIGQZKFHWNBLI-AZUAARDMSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000961379918 1319536077 /nfs/dbraw/zinc/53/60/77/1319536077.db2.gz XEFCZMCZKCEOGK-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000961379918 1319536089 /nfs/dbraw/zinc/53/60/89/1319536089.db2.gz XEFCZMCZKCEOGK-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961379918 1319536099 /nfs/dbraw/zinc/53/60/99/1319536099.db2.gz XEFCZMCZKCEOGK-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000961406170 1319563791 /nfs/dbraw/zinc/56/37/91/1319563791.db2.gz PEMCCTIRKDPQOE-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC000961406170 1319563798 /nfs/dbraw/zinc/56/37/98/1319563798.db2.gz PEMCCTIRKDPQOE-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000961406170 1319563808 /nfs/dbraw/zinc/56/38/08/1319563808.db2.gz PEMCCTIRKDPQOE-LJQANCHMSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000818967101 1319594476 /nfs/dbraw/zinc/59/44/76/1319594476.db2.gz WXDPHIDXTCJRFL-LRDDRELGSA-N 2 1 341.377 3.170 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000818980920 1319602309 /nfs/dbraw/zinc/60/23/09/1319602309.db2.gz PEKLZAFGVVMEOS-WBMJQRKESA-N 2 1 331.287 3.348 20 0 EGADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1F ZINC000818988286 1319607423 /nfs/dbraw/zinc/60/74/23/1319607423.db2.gz NUJNGXPVYPVMRG-HNAYVOBHSA-N 2 1 348.487 3.422 20 0 EGADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1F ZINC000818988286 1319607436 /nfs/dbraw/zinc/60/74/36/1319607436.db2.gz NUJNGXPVYPVMRG-HNAYVOBHSA-N 2 1 348.487 3.422 20 0 EGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000819101513 1319634994 /nfs/dbraw/zinc/63/49/94/1319634994.db2.gz VTTDZAAYIOVNKT-MRXNPFEDSA-N 2 1 341.377 3.314 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001023632249 1319753001 /nfs/dbraw/zinc/75/30/01/1319753001.db2.gz HVKWFUWOPZXSTE-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001023632249 1319753006 /nfs/dbraw/zinc/75/30/06/1319753006.db2.gz HVKWFUWOPZXSTE-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001023632249 1319753010 /nfs/dbraw/zinc/75/30/10/1319753010.db2.gz HVKWFUWOPZXSTE-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC000961907483 1319769116 /nfs/dbraw/zinc/76/91/16/1319769116.db2.gz MLZHWPOMFSWFAQ-SOAGJPPSSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1 ZINC000962025136 1319803218 /nfs/dbraw/zinc/80/32/18/1319803218.db2.gz VBAXOHNIGBNFOP-SOAGJPPSSA-N 2 1 347.547 3.092 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761540 1319909030 /nfs/dbraw/zinc/90/90/30/1319909030.db2.gz BZRBOZJMKQBRSP-LJQANCHMSA-N 2 1 345.531 3.236 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001023763356 1319911356 /nfs/dbraw/zinc/91/13/56/1319911356.db2.gz KKHWMPNFSRLLOL-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001023763356 1319911363 /nfs/dbraw/zinc/91/13/63/1319911363.db2.gz KKHWMPNFSRLLOL-MSOLQXFVSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000827602501 1320461912 /nfs/dbraw/zinc/46/19/12/1320461912.db2.gz WQYNBJNXNCZYGW-OWCLPIDISA-N 2 1 348.362 3.061 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839680214 1320959081 /nfs/dbraw/zinc/95/90/81/1320959081.db2.gz SBXAOOJCJHUTTA-LJQANCHMSA-N 2 1 339.524 3.194 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839680214 1320959088 /nfs/dbraw/zinc/95/90/88/1320959088.db2.gz SBXAOOJCJHUTTA-LJQANCHMSA-N 2 1 339.524 3.194 20 0 EGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000841056716 1321211093 /nfs/dbraw/zinc/21/10/93/1321211093.db2.gz BOWUWSFDLIJXRP-CVEARBPZSA-N 2 1 332.879 3.253 20 0 EGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841056718 1321211277 /nfs/dbraw/zinc/21/12/77/1321211277.db2.gz BOWUWSFDLIJXRP-HZPDHXFCSA-N 2 1 332.879 3.253 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)ccc1OC(=O)CC ZINC000841091030 1321216719 /nfs/dbraw/zinc/21/67/19/1321216719.db2.gz SLGORJKEVMXNLY-MRXNPFEDSA-N 2 1 346.471 3.165 20 0 EGADMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@H]3COC(C)(C)C3)cc2)CC1 ZINC000841856961 1321324048 /nfs/dbraw/zinc/32/40/48/1321324048.db2.gz QVRMBZQMZSFHFB-GOSISDBHSA-N 2 1 331.504 3.444 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c2cc1C ZINC000842474219 1321393015 /nfs/dbraw/zinc/39/30/15/1321393015.db2.gz KIRYPKFPHUDFNJ-VQIMIIECSA-N 2 1 340.467 3.374 20 0 EGADMP CCOc1cccc(C[N@@H+](C)C2CCC([NH3+])CC2)c1OC(F)F ZINC000843056423 1321462965 /nfs/dbraw/zinc/46/29/65/1321462965.db2.gz JNVHKTKOJUCUEH-UHFFFAOYSA-N 2 1 328.403 3.388 20 0 EGADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354877 1321505497 /nfs/dbraw/zinc/50/54/97/1321505497.db2.gz IZVNHZUVCPIDPN-UHFFFAOYSA-N 2 1 330.428 3.311 20 0 EGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1ccc(Cl)cc1 ZINC000849070698 1322066346 /nfs/dbraw/zinc/06/63/46/1322066346.db2.gz UQFQJKPSIIVRKE-MRXNPFEDSA-N 2 1 336.911 3.216 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000920181393 1322148071 /nfs/dbraw/zinc/14/80/71/1322148071.db2.gz VPZSZJMLWQUWEA-HNNXBMFYSA-N 2 1 332.517 3.438 20 0 EGADMP C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921980591 1322434343 /nfs/dbraw/zinc/43/43/43/1322434343.db2.gz NOLAXSNPUOIFNU-APWZRJJASA-N 2 1 330.520 3.426 20 0 EGADMP C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000921980591 1322434344 /nfs/dbraw/zinc/43/43/44/1322434344.db2.gz NOLAXSNPUOIFNU-APWZRJJASA-N 2 1 330.520 3.426 20 0 EGADMP c1nn(CC2CCC2)cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000922075973 1322449722 /nfs/dbraw/zinc/44/97/22/1322449722.db2.gz GLENVFDBFDNZGJ-FQEVSTJZSA-N 2 1 338.499 3.295 20 0 EGADMP c1nn(CC2CCC2)cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000922075973 1322449723 /nfs/dbraw/zinc/44/97/23/1322449723.db2.gz GLENVFDBFDNZGJ-FQEVSTJZSA-N 2 1 338.499 3.295 20 0 EGADMP O[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000923363798 1322740524 /nfs/dbraw/zinc/74/05/24/1322740524.db2.gz FVCNVHLGNSBIGW-JCURWCKSSA-N 2 1 343.298 3.491 20 0 EGADMP O[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000923363798 1322740528 /nfs/dbraw/zinc/74/05/28/1322740528.db2.gz FVCNVHLGNSBIGW-JCURWCKSSA-N 2 1 343.298 3.491 20 0 EGADMP O[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1C(F)(F)F ZINC000923362489 1322740910 /nfs/dbraw/zinc/74/09/10/1322740910.db2.gz NMTNSTBQRCVSBE-CKEIUWERSA-N 2 1 342.405 3.060 20 0 EGADMP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923486134 1322760696 /nfs/dbraw/zinc/76/06/96/1322760696.db2.gz NOIZKYGQLACJFK-BBWFWOEESA-N 2 1 339.483 3.076 20 0 EGADMP C[C@@]1(Cc2cc(Cl)cs2)CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000923532024 1322770487 /nfs/dbraw/zinc/77/04/87/1322770487.db2.gz XLNFDIOGOZFMOU-ZBFHGGJFSA-N 2 1 340.920 3.320 20 0 EGADMP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CCC[N@@H+](C)Cc2ccccc2)cn1 ZINC000924578530 1323060622 /nfs/dbraw/zinc/06/06/22/1323060622.db2.gz BBAKXRDPBKRZRI-RTWAWAEBSA-N 2 1 340.515 3.243 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cnnn1C ZINC000924680836 1323110376 /nfs/dbraw/zinc/11/03/76/1323110376.db2.gz SYZITROGIFRTAP-HZPDHXFCSA-N 2 1 327.476 3.040 20 0 EGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cnnn1C ZINC000924680836 1323110382 /nfs/dbraw/zinc/11/03/82/1323110382.db2.gz SYZITROGIFRTAP-HZPDHXFCSA-N 2 1 327.476 3.040 20 0 EGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cnnn1-c1ccccc1 ZINC000924688268 1323113594 /nfs/dbraw/zinc/11/35/94/1323113594.db2.gz SIWBMPOEEPZUHF-MSOLQXFVSA-N 2 1 341.503 3.430 20 0 EGADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCC[C@H](C[NH2+]CC2CC2)C1 ZINC001024118601 1323148163 /nfs/dbraw/zinc/14/81/63/1323148163.db2.gz GMAKMJRQENKOMQ-UYAOXDASSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C=C2CC[NH2+]CC2)c1 ZINC000852861184 1323248683 /nfs/dbraw/zinc/24/86/83/1323248683.db2.gz ZXFOJVYBXLRASZ-UHFFFAOYSA-N 2 1 338.455 3.303 20 0 EGADMP Cc1noc(C)c1[C@@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000925039760 1323252963 /nfs/dbraw/zinc/25/29/63/1323252963.db2.gz ZUVXXZIPTZWKDB-CYBMUJFWSA-N 2 1 346.475 3.459 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H](O)c2ccccn2)cc1 ZINC000853062131 1323271501 /nfs/dbraw/zinc/27/15/01/1323271501.db2.gz JLNOYZFOYDUFGI-DYESRHJHSA-N 2 1 339.483 3.279 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557331 1323496863 /nfs/dbraw/zinc/49/68/63/1323496863.db2.gz RMPODAHUJDQCLV-GOSISDBHSA-N 2 1 342.487 3.355 20 0 EGADMP C[C@H](F)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711198 1323618064 /nfs/dbraw/zinc/61/80/64/1323618064.db2.gz IAFMKJQRTRNQMQ-QFBILLFUSA-N 2 1 349.494 3.081 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001024812998 1323716232 /nfs/dbraw/zinc/71/62/32/1323716232.db2.gz VALQUXYDWUESLO-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001024812998 1323716236 /nfs/dbraw/zinc/71/62/36/1323716236.db2.gz VALQUXYDWUESLO-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001024812998 1323716239 /nfs/dbraw/zinc/71/62/39/1323716239.db2.gz VALQUXYDWUESLO-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001024902147 1323772173 /nfs/dbraw/zinc/77/21/73/1323772173.db2.gz IYWCIZYLNYRMBW-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001024966937 1323803633 /nfs/dbraw/zinc/80/36/33/1323803633.db2.gz HIBYJJXDNBBMIR-FUHWJXTLSA-N 2 1 346.519 3.167 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001025002869 1323821957 /nfs/dbraw/zinc/82/19/57/1323821957.db2.gz LDROPXSJCACHJY-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001025168616 1323937083 /nfs/dbraw/zinc/93/70/83/1323937083.db2.gz PXRQOJNGRQBAKA-MSOLQXFVSA-N 2 1 349.544 3.093 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1)c1ccccc1 ZINC001025170117 1323938641 /nfs/dbraw/zinc/93/86/41/1323938641.db2.gz XLIXECLDOUJLIW-PMACEKPBSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025265008 1324076708 /nfs/dbraw/zinc/07/67/08/1324076708.db2.gz CUBYWVNLVMXXQE-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025265008 1324076712 /nfs/dbraw/zinc/07/67/12/1324076712.db2.gz CUBYWVNLVMXXQE-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001025265008 1324076717 /nfs/dbraw/zinc/07/67/17/1324076717.db2.gz CUBYWVNLVMXXQE-MOPGFXCFSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025461289 1324306982 /nfs/dbraw/zinc/30/69/82/1324306982.db2.gz RWCJXJVEUXOWIN-NVXWUHKLSA-N 2 1 342.487 3.273 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025484649 1324333104 /nfs/dbraw/zinc/33/31/04/1324333104.db2.gz HEPUJFNDIIDTIA-IAGOWNOFSA-N 2 1 342.487 3.211 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025529076 1324376465 /nfs/dbraw/zinc/37/64/65/1324376465.db2.gz YLGXKKUJVQPQMF-FXAWDEMLSA-N 2 1 345.531 3.029 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025589363 1324433887 /nfs/dbraw/zinc/43/38/87/1324433887.db2.gz FIPBWJLCUDAJBO-YLJYHZDGSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001026492450 1324846151 /nfs/dbraw/zinc/84/61/51/1324846151.db2.gz MOAFZWHMWPGCHE-ACBHZAAOSA-N 2 1 349.563 3.312 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]CC3CC(C)(C)C3)CC2)CC[N@H+]1C ZINC001026497079 1324848343 /nfs/dbraw/zinc/84/83/43/1324848343.db2.gz KCQFDHZSDWSYNY-WZOJCFFYSA-N 2 1 349.563 3.170 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1CCC([NH2+]CC2CCC2)CC1 ZINC001026506796 1324854922 /nfs/dbraw/zinc/85/49/22/1324854922.db2.gz GJHLVGPLJXKONS-CTWPCTMYSA-N 2 1 335.536 3.066 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001026515832 1324862153 /nfs/dbraw/zinc/86/21/53/1324862153.db2.gz LQEJHJZGNGDEAA-MHJFOBGBSA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001026519911 1324864272 /nfs/dbraw/zinc/86/42/72/1324864272.db2.gz YZCZIRCQMZMAMF-SOAGJPPSSA-N 2 1 349.563 3.314 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CCC([NH2+]CCC3CCCCC3)CC2)C1 ZINC001026561107 1324896669 /nfs/dbraw/zinc/89/66/69/1324896669.db2.gz ONVRZHGBDSTYRQ-QHGAOEGBSA-N 2 1 349.563 3.316 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC2CC2)CC1 ZINC001026590814 1324916659 /nfs/dbraw/zinc/91/66/59/1324916659.db2.gz IIGNZCRZZXVUHC-ACBHZAAOSA-N 2 1 335.536 3.068 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001026888464 1325063865 /nfs/dbraw/zinc/06/38/65/1325063865.db2.gz GJJVHLDVXCFNHV-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(Br)n1 ZINC000925219452 1325084541 /nfs/dbraw/zinc/08/45/41/1325084541.db2.gz DHVFDHQZESUHIA-YNEHKIRRSA-N 2 1 326.282 3.368 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CCC2CC2)CC1 ZINC000963319382 1325104886 /nfs/dbraw/zinc/10/48/86/1325104886.db2.gz NYOUZIBUVZEKMT-CTWPCTMYSA-N 2 1 335.536 3.019 20 0 EGADMP CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000963331403 1325117332 /nfs/dbraw/zinc/11/73/32/1325117332.db2.gz KCDJNOBVIPCKNQ-VIQWUECVSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)C2CCC([NH2+]CC3CCCCC3)CC2)CC[N@H+]1C ZINC000963344368 1325135022 /nfs/dbraw/zinc/13/50/22/1325135022.db2.gz OCSDCVQLXDUKEO-SGZDXZSOSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963360371 1325155506 /nfs/dbraw/zinc/15/55/06/1325155506.db2.gz MIRRBOXKKHAVEQ-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000963360371 1325155512 /nfs/dbraw/zinc/15/55/12/1325155512.db2.gz MIRRBOXKKHAVEQ-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963360371 1325155515 /nfs/dbraw/zinc/15/55/15/1325155515.db2.gz MIRRBOXKKHAVEQ-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cccc(C[NH+](C)C)c1 ZINC000925518068 1325186989 /nfs/dbraw/zinc/18/69/89/1325186989.db2.gz CYNCKLIQTDCQNP-MRXNPFEDSA-N 2 1 335.455 3.180 20 0 EGADMP Cc1c(Br)cccc1CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000925834257 1325321277 /nfs/dbraw/zinc/32/12/77/1325321277.db2.gz MAIJMHPJPRGJFV-LBPRGKRZSA-N 2 1 334.261 3.458 20 0 EGADMP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000925861180 1325333658 /nfs/dbraw/zinc/33/36/58/1325333658.db2.gz ODGIIIWSZFNSLM-OMYXNUHHSA-N 3 1 327.516 3.476 20 0 EGADMP Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000926128198 1325440458 /nfs/dbraw/zinc/44/04/58/1325440458.db2.gz ZLMISPHAIOGSLX-LIRRHRJNSA-N 2 1 343.471 3.099 20 0 EGADMP Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000926128198 1325440462 /nfs/dbraw/zinc/44/04/62/1325440462.db2.gz ZLMISPHAIOGSLX-LIRRHRJNSA-N 2 1 343.471 3.099 20 0 EGADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)[C@@H](O)c1ccccc1 ZINC000926330127 1325518045 /nfs/dbraw/zinc/51/80/45/1325518045.db2.gz CWXBKZXIEDFFNO-OSYNSWQESA-N 2 1 346.515 3.120 20 0 EGADMP CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411116 1327637028 /nfs/dbraw/zinc/63/70/28/1327637028.db2.gz MRQQSOBHVRHUHU-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001027411116 1327637037 /nfs/dbraw/zinc/63/70/37/1327637037.db2.gz MRQQSOBHVRHUHU-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001027411116 1327637046 /nfs/dbraw/zinc/63/70/46/1327637046.db2.gz MRQQSOBHVRHUHU-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@@H+](CCC1CC1)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027442674 1327683259 /nfs/dbraw/zinc/68/32/59/1327683259.db2.gz DUAUUSPBKRHOTL-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC1CC1)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001027442674 1327683268 /nfs/dbraw/zinc/68/32/68/1327683268.db2.gz DUAUUSPBKRHOTL-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CCC1CC1)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001027442674 1327683277 /nfs/dbraw/zinc/68/32/77/1327683277.db2.gz DUAUUSPBKRHOTL-VQTJNVASSA-N 2 1 347.547 3.116 20 0 EGADMP Cc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001027451459 1327691865 /nfs/dbraw/zinc/69/18/65/1327691865.db2.gz AKTHYQQWGQUQBW-UXHICEINSA-N 2 1 345.531 3.004 20 0 EGADMP CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCC2)C1)[NH+](C)C ZINC001027452502 1327693383 /nfs/dbraw/zinc/69/33/83/1327693383.db2.gz PQYWQUDIRQVMPB-MOPGFXCFSA-N 2 1 337.552 3.076 20 0 EGADMP C[N@@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027478607 1327732022 /nfs/dbraw/zinc/73/20/22/1327732022.db2.gz VZQKACPBHLIHOB-LJQANCHMSA-N 2 1 347.547 3.118 20 0 EGADMP C[N@@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027520393 1327792742 /nfs/dbraw/zinc/79/27/42/1327792742.db2.gz MEHLXGHPIICCKX-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCOCCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000927085002 1327853149 /nfs/dbraw/zinc/85/31/49/1327853149.db2.gz FZJGSZHBTSBQHY-SEJPIABJSA-N 2 1 346.515 3.215 20 0 EGADMP Cc1ccccc1C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001027562879 1327883248 /nfs/dbraw/zinc/88/32/48/1327883248.db2.gz XVVMBMJCOJUHDO-WOJBJXKFSA-N 2 1 345.531 3.004 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1)[NH+](C)C ZINC001027563619 1327884092 /nfs/dbraw/zinc/88/40/92/1327884092.db2.gz LMYUWAUIAVNYOB-WOJBJXKFSA-N 2 1 349.563 3.386 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027682852 1328081090 /nfs/dbraw/zinc/08/10/90/1328081090.db2.gz YESINBQORMBRCH-UXHICEINSA-N 2 1 343.515 3.156 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2=CCCCC2)C1 ZINC001027694020 1328100761 /nfs/dbraw/zinc/10/07/61/1328100761.db2.gz PBAJKVYPZVDPOL-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027694020 1328100763 /nfs/dbraw/zinc/10/07/63/1328100763.db2.gz PBAJKVYPZVDPOL-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027694020 1328100765 /nfs/dbraw/zinc/10/07/65/1328100765.db2.gz PBAJKVYPZVDPOL-PMACEKPBSA-N 2 1 347.547 3.284 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1)c1ccccc1 ZINC001027697905 1328107798 /nfs/dbraw/zinc/10/77/98/1328107798.db2.gz YQNRYHRMOQXIPK-WOJBJXKFSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1)c1ccccc1 ZINC001027697905 1328107804 /nfs/dbraw/zinc/10/78/04/1328107804.db2.gz YQNRYHRMOQXIPK-WOJBJXKFSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@@H]1CC[N@H+](CCC2CC2)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000966485320 1328318296 /nfs/dbraw/zinc/31/82/96/1328318296.db2.gz AIIIERHHKSNBDO-RHSMWYFYSA-N 2 1 349.544 3.050 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC2CC2)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000966485320 1328318303 /nfs/dbraw/zinc/31/83/03/1328318303.db2.gz AIIIERHHKSNBDO-RHSMWYFYSA-N 2 1 349.544 3.050 20 0 EGADMP CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027912379 1328386247 /nfs/dbraw/zinc/38/62/47/1328386247.db2.gz BFCHWDXONWACOL-MRXNPFEDSA-N 2 1 337.533 3.050 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027912379 1328386256 /nfs/dbraw/zinc/38/62/56/1328386256.db2.gz BFCHWDXONWACOL-MRXNPFEDSA-N 2 1 337.533 3.050 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001027912919 1328387987 /nfs/dbraw/zinc/38/79/87/1328387987.db2.gz DEBMCEWQBQPIMS-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1 ZINC001027912919 1328387993 /nfs/dbraw/zinc/38/79/93/1328387993.db2.gz DEBMCEWQBQPIMS-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027929878 1328409037 /nfs/dbraw/zinc/40/90/37/1328409037.db2.gz KNQMZQHEVMVOKS-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CC1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929878 1328409043 /nfs/dbraw/zinc/40/90/43/1328409043.db2.gz KNQMZQHEVMVOKS-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@H]1CCC[NH+]1CC1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001027929878 1328409050 /nfs/dbraw/zinc/40/90/50/1328409050.db2.gz KNQMZQHEVMVOKS-WOJBJXKFSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1=CCCCC1 ZINC001027986381 1328458355 /nfs/dbraw/zinc/45/83/55/1328458355.db2.gz VRDIZUPSORNIHN-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001027986381 1328458360 /nfs/dbraw/zinc/45/83/60/1328458360.db2.gz VRDIZUPSORNIHN-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001027986381 1328458366 /nfs/dbraw/zinc/45/83/66/1328458366.db2.gz VRDIZUPSORNIHN-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC001028028401 1328490858 /nfs/dbraw/zinc/49/08/58/1328490858.db2.gz HCMDMAKXGFEXAX-LJQANCHMSA-N 2 1 348.450 3.037 20 0 EGADMP Cc1cccc(C[N@H+]2CCC[C@@H]2CNC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC001028029256 1328492059 /nfs/dbraw/zinc/49/20/59/1328492059.db2.gz TZJGSABATTZHDI-LJQANCHMSA-N 2 1 348.450 3.037 20 0 EGADMP Cn1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(-c2cc(F)ccc2F)n1 ZINC000865406537 1329692464 /nfs/dbraw/zinc/69/24/64/1329692464.db2.gz XRUOQJUQZHNWAF-UHFFFAOYSA-N 2 1 346.425 3.082 20 0 EGADMP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccn1 ZINC000866336859 1330097972 /nfs/dbraw/zinc/09/79/72/1330097972.db2.gz NUNZIMFDWOHPLY-PZJWPPBQSA-N 2 1 339.483 3.135 20 0 EGADMP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccn1 ZINC000866336855 1330098053 /nfs/dbraw/zinc/09/80/53/1330098053.db2.gz NUNZIMFDWOHPLY-CTNGQTDRSA-N 2 1 339.483 3.135 20 0 EGADMP CC(C)(C)OC1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000866451062 1330114001 /nfs/dbraw/zinc/11/40/01/1330114001.db2.gz ONQJGQNZWIARDY-KVZIAJEVSA-N 2 1 338.536 3.346 20 0 EGADMP CC(C)(C)OC1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000866451063 1330114056 /nfs/dbraw/zinc/11/40/56/1330114056.db2.gz ONQJGQNZWIARDY-NKELODKYSA-N 2 1 338.536 3.346 20 0 EGADMP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000866660099 1330138700 /nfs/dbraw/zinc/13/87/00/1330138700.db2.gz FNIVMDRNUGLNDA-AWEZNQCLSA-N 2 1 335.879 3.051 20 0 EGADMP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000866660099 1330138703 /nfs/dbraw/zinc/13/87/03/1330138703.db2.gz FNIVMDRNUGLNDA-AWEZNQCLSA-N 2 1 335.879 3.051 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)CC2(C)C)CC1 ZINC000941138700 1331349937 /nfs/dbraw/zinc/34/99/37/1331349937.db2.gz LNODXZQKYBNFBC-IBGZPJMESA-N 2 1 349.563 3.124 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942173954 1331861272 /nfs/dbraw/zinc/86/12/72/1331861272.db2.gz SPHZCOJYHBDTCY-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCCC3CCC3)C[C@H]2C)CC1 ZINC000943757059 1332255485 /nfs/dbraw/zinc/25/54/85/1332255485.db2.gz ZYFSOTHFUXJFNH-QUCCMNQESA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947473610 1333142536 /nfs/dbraw/zinc/14/25/36/1333142536.db2.gz NWIBKZXTAKEVFV-GOEBONIOSA-N 2 1 328.460 3.026 20 0 EGADMP C[C@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[N@H+]1CCC(C)(C)C ZINC000947662720 1333213120 /nfs/dbraw/zinc/21/31/20/1333213120.db2.gz LOYSKBSGFZICAM-DOTOQJQBSA-N 2 1 349.519 3.360 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CC1=CCCCC1 ZINC000947726783 1333241825 /nfs/dbraw/zinc/24/18/25/1333241825.db2.gz SDBRYNDSVMCEJF-HKUYNNGSSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC1=CCCCC1 ZINC000947726783 1333241827 /nfs/dbraw/zinc/24/18/27/1333241827.db2.gz SDBRYNDSVMCEJF-HKUYNNGSSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CC1=CCCCC1 ZINC000947726783 1333241828 /nfs/dbraw/zinc/24/18/28/1333241828.db2.gz SDBRYNDSVMCEJF-HKUYNNGSSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1CCC1CC1 ZINC000948056110 1333357530 /nfs/dbraw/zinc/35/75/30/1333357530.db2.gz HHHRRQWCSJNTGA-JXFKEZNVSA-N 2 1 343.515 3.131 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[NH+](CCCCC)CC1 ZINC001197477524 1368823409 /nfs/dbraw/zinc/82/34/09/1368823409.db2.gz JMSIONDRWUNXEB-UHFFFAOYSA-N 2 1 325.541 3.223 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@H+](CCCCC)CC1 ZINC001197477524 1368823413 /nfs/dbraw/zinc/82/34/13/1368823413.db2.gz JMSIONDRWUNXEB-UHFFFAOYSA-N 2 1 325.541 3.223 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@@H+](CCCCC)CC1 ZINC001197477524 1368823419 /nfs/dbraw/zinc/82/34/19/1368823419.db2.gz JMSIONDRWUNXEB-UHFFFAOYSA-N 2 1 325.541 3.223 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](CCC3CCCC3)CC2)CC[N@H+]1C ZINC000948388204 1333504689 /nfs/dbraw/zinc/50/46/89/1333504689.db2.gz CGFLWQJOXDEEHH-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@H+](CCC3CCCC3)CC2)CC[NH+]1C ZINC000948388204 1333504692 /nfs/dbraw/zinc/50/46/92/1333504692.db2.gz CGFLWQJOXDEEHH-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](CCC3CCCC3)CC2)CC[NH+]1C ZINC000948388204 1333504695 /nfs/dbraw/zinc/50/46/95/1333504695.db2.gz CGFLWQJOXDEEHH-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC000948553856 1333572800 /nfs/dbraw/zinc/57/28/00/1333572800.db2.gz NJSKKDBBLHQURG-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC000948553856 1333572804 /nfs/dbraw/zinc/57/28/04/1333572804.db2.gz NJSKKDBBLHQURG-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC000948553856 1333572807 /nfs/dbraw/zinc/57/28/07/1333572807.db2.gz NJSKKDBBLHQURG-UXHICEINSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC000948634290 1333604780 /nfs/dbraw/zinc/60/47/80/1333604780.db2.gz VBNGLCGIWGIIGQ-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948642831 1333609019 /nfs/dbraw/zinc/60/90/19/1333609019.db2.gz OJCUHVWBCAYAPQ-PMACEKPBSA-N 2 1 347.547 3.140 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833553 1333704241 /nfs/dbraw/zinc/70/42/41/1333704241.db2.gz XIABIYTXVIEROI-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000949046747 1333770521 /nfs/dbraw/zinc/77/05/21/1333770521.db2.gz TUTSTPDCYCGMIL-QUCCMNQESA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000949046747 1333770522 /nfs/dbraw/zinc/77/05/22/1333770522.db2.gz TUTSTPDCYCGMIL-QUCCMNQESA-N 2 1 343.515 3.012 20 0 EGADMP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000949807478 1333928576 /nfs/dbraw/zinc/92/85/76/1333928576.db2.gz SRBOWAMMIUMIQQ-QUCCMNQESA-N 2 1 343.515 3.014 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000949807478 1333928582 /nfs/dbraw/zinc/92/85/82/1333928582.db2.gz SRBOWAMMIUMIQQ-QUCCMNQESA-N 2 1 343.515 3.014 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1C[NH+](CC2CCCCCC2)C1 ZINC000950063536 1334006132 /nfs/dbraw/zinc/00/61/32/1334006132.db2.gz LDBHOJDNXIUAPQ-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1C[NH+](CCCC2CCC2)C1 ZINC000950614187 1334097261 /nfs/dbraw/zinc/09/72/61/1334097261.db2.gz ALUFCGWJAHVAJI-AZUAARDMSA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1C[NH+](CCCC2CCC2)C1 ZINC000950614187 1334097263 /nfs/dbraw/zinc/09/72/63/1334097263.db2.gz ALUFCGWJAHVAJI-AZUAARDMSA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+]([C@H](C)c2ccccc2C)C1 ZINC000950631668 1334099234 /nfs/dbraw/zinc/09/92/34/1334099234.db2.gz WSZLITXTDGDKIQ-YLJYHZDGSA-N 2 1 343.515 3.073 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+]([C@H](C)c2ccccc2C)C1 ZINC000950631668 1334099237 /nfs/dbraw/zinc/09/92/37/1334099237.db2.gz WSZLITXTDGDKIQ-YLJYHZDGSA-N 2 1 343.515 3.073 20 0 EGADMP CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC000951749673 1334311305 /nfs/dbraw/zinc/31/13/05/1334311305.db2.gz CMXCRTOLUAIGEB-FXAWDEMLSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327994 1335891002 /nfs/dbraw/zinc/89/10/02/1335891002.db2.gz VRGXALJNCYYMCT-YLJYHZDGSA-N 2 1 345.531 3.031 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]2C)CC1 ZINC000968459554 1335931614 /nfs/dbraw/zinc/93/16/14/1335931614.db2.gz MQTKQPKMOMVDKQ-ICSRJNTNSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000968646203 1335994718 /nfs/dbraw/zinc/99/47/18/1335994718.db2.gz BVLLIQJZEBMDMX-MJGOQNOKSA-N 2 1 349.563 3.125 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCC1=CCCCC1 ZINC000968782016 1336048483 /nfs/dbraw/zinc/04/84/83/1336048483.db2.gz RBBJEWALUWGPSY-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1=CCCCC1 ZINC000968782016 1336048484 /nfs/dbraw/zinc/04/84/84/1336048484.db2.gz RBBJEWALUWGPSY-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCC1=CCCCC1 ZINC000968782016 1336048486 /nfs/dbraw/zinc/04/84/86/1336048486.db2.gz RBBJEWALUWGPSY-UXHICEINSA-N 2 1 347.547 3.332 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CCCC1CCC1 ZINC000968782709 1336048951 /nfs/dbraw/zinc/04/89/51/1336048951.db2.gz YQQCCUHOQDTRRJ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCCC1CCC1 ZINC000968782709 1336048955 /nfs/dbraw/zinc/04/89/55/1336048955.db2.gz YQQCCUHOQDTRRJ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCCC1CCC1 ZINC000968782709 1336048959 /nfs/dbraw/zinc/04/89/59/1336048959.db2.gz YQQCCUHOQDTRRJ-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000968851049 1336067304 /nfs/dbraw/zinc/06/73/04/1336067304.db2.gz MSDKWHLQTWNNLZ-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968887804 1336080385 /nfs/dbraw/zinc/08/03/85/1336080385.db2.gz MYYJXWVKMVQBQY-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000968887804 1336080387 /nfs/dbraw/zinc/08/03/87/1336080387.db2.gz MYYJXWVKMVQBQY-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000968887804 1336080388 /nfs/dbraw/zinc/08/03/88/1336080388.db2.gz MYYJXWVKMVQBQY-MOPGFXCFSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC(C)C ZINC000968928056 1336091954 /nfs/dbraw/zinc/09/19/54/1336091954.db2.gz ASUQNIZHKONYOD-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC(C)C ZINC000968928056 1336091959 /nfs/dbraw/zinc/09/19/59/1336091959.db2.gz ASUQNIZHKONYOD-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC(C)C ZINC000968928056 1336091962 /nfs/dbraw/zinc/09/19/62/1336091962.db2.gz ASUQNIZHKONYOD-MOPGFXCFSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1c(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC(C)C)ccc2c[nH+]cn21 ZINC000968925985 1336092402 /nfs/dbraw/zinc/09/24/02/1336092402.db2.gz RFVKUNXDHFDQRS-KRWDZBQOSA-N 2 1 342.487 3.273 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CC1 ZINC000969004754 1336115379 /nfs/dbraw/zinc/11/53/79/1336115379.db2.gz BIRNIKAKBDKDQB-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CCCCC[N@H+]1CCC1CC1 ZINC000969004754 1336115380 /nfs/dbraw/zinc/11/53/80/1336115380.db2.gz BIRNIKAKBDKDQB-GOSISDBHSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CC1 ZINC000969004755 1336115527 /nfs/dbraw/zinc/11/55/27/1336115527.db2.gz BIRNIKAKBDKDQB-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CC1 ZINC000969004755 1336115528 /nfs/dbraw/zinc/11/55/28/1336115528.db2.gz BIRNIKAKBDKDQB-SFHVURJKSA-N 2 1 347.503 3.116 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC1CC1 ZINC000969108548 1336146858 /nfs/dbraw/zinc/14/68/58/1336146858.db2.gz FLUCTZNGZSEZEY-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CC1 ZINC000969108548 1336146860 /nfs/dbraw/zinc/14/68/60/1336146860.db2.gz FLUCTZNGZSEZEY-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CC1 ZINC000969108548 1336146862 /nfs/dbraw/zinc/14/68/62/1336146862.db2.gz FLUCTZNGZSEZEY-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCCC2)C1 ZINC000969657243 1336233788 /nfs/dbraw/zinc/23/37/88/1336233788.db2.gz AQXWSPWTHLCGTQ-YLJYHZDGSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC2=CCCCC2)C1 ZINC000969794523 1336248175 /nfs/dbraw/zinc/24/81/75/1336248175.db2.gz WPDRRCHLIRKZBE-XLIONFOSSA-N 2 1 347.547 3.188 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001005720057 1336397098 /nfs/dbraw/zinc/39/70/98/1336397098.db2.gz ZBOBTBYDFUPHIK-UHFFFAOYSA-N 2 1 344.503 3.005 20 0 EGADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001006296361 1336485741 /nfs/dbraw/zinc/48/57/41/1336485741.db2.gz YGVYFPBANYBDML-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001006445506 1336507399 /nfs/dbraw/zinc/50/73/99/1336507399.db2.gz IARIIYTYLAEBLQ-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001006446046 1336507541 /nfs/dbraw/zinc/50/75/41/1336507541.db2.gz SHMJWCXRHAWKKI-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CC2=CCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001007946769 1336737283 /nfs/dbraw/zinc/73/72/83/1336737283.db2.gz DJAPEXYZKSBGKA-SFHVURJKSA-N 2 1 338.455 3.029 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001008161515 1336782558 /nfs/dbraw/zinc/78/25/58/1336782558.db2.gz HNMVSXKZRYFJPU-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001008312943 1336820967 /nfs/dbraw/zinc/82/09/67/1336820967.db2.gz LERQQXGISGIATB-YSIASYRMSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001008312943 1336820969 /nfs/dbraw/zinc/82/09/69/1336820969.db2.gz LERQQXGISGIATB-YSIASYRMSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001008312943 1336820971 /nfs/dbraw/zinc/82/09/71/1336820971.db2.gz LERQQXGISGIATB-YSIASYRMSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001008402352 1336843526 /nfs/dbraw/zinc/84/35/26/1336843526.db2.gz AYRRZSPCWOGCAM-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001008736986 1336918354 /nfs/dbraw/zinc/91/83/54/1336918354.db2.gz JCBUGXBEMCCJMN-KRWDZBQOSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001008736986 1336918357 /nfs/dbraw/zinc/91/83/57/1336918357.db2.gz JCBUGXBEMCCJMN-KRWDZBQOSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001008736413 1336918369 /nfs/dbraw/zinc/91/83/69/1336918369.db2.gz ILZKMJBJBOMFNO-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001008736413 1336918370 /nfs/dbraw/zinc/91/83/70/1336918370.db2.gz ILZKMJBJBOMFNO-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009147494 1336976651 /nfs/dbraw/zinc/97/66/51/1336976651.db2.gz WQYLFZSERPZFDT-IBGZPJMESA-N 2 1 349.563 3.125 20 0 EGADMP O=C(N[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1)C12CC[NH+](CC1)C2 ZINC001009227883 1336988906 /nfs/dbraw/zinc/98/89/06/1336988906.db2.gz WNSSNOBWFRLSOC-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP CN(C)c1ccc(Br)cc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206641099 1371115805 /nfs/dbraw/zinc/11/58/05/1371115805.db2.gz SWHHFVVAQGNPMN-CYBMUJFWSA-N 2 1 340.309 3.076 20 0 EGADMP CN(C)c1ccc(Br)cc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206641099 1371115807 /nfs/dbraw/zinc/11/58/07/1371115807.db2.gz SWHHFVVAQGNPMN-CYBMUJFWSA-N 2 1 340.309 3.076 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1)[NH+]1CCCCC1 ZINC001014422872 1337773738 /nfs/dbraw/zinc/77/37/38/1337773738.db2.gz JSRXXSHPKZZFFF-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014434472 1337776978 /nfs/dbraw/zinc/77/69/78/1337776978.db2.gz MJRMGJFTPKLFMK-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014434472 1337776982 /nfs/dbraw/zinc/77/69/82/1337776982.db2.gz MJRMGJFTPKLFMK-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014434472 1337776984 /nfs/dbraw/zinc/77/69/84/1337776984.db2.gz MJRMGJFTPKLFMK-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001014631970 1337853737 /nfs/dbraw/zinc/85/37/37/1337853737.db2.gz PTLKFYWKLGMCQR-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001014631970 1337853741 /nfs/dbraw/zinc/85/37/41/1337853741.db2.gz PTLKFYWKLGMCQR-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001014631970 1337853747 /nfs/dbraw/zinc/85/37/47/1337853747.db2.gz PTLKFYWKLGMCQR-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001015056694 1338004551 /nfs/dbraw/zinc/00/45/51/1338004551.db2.gz IEVHGZHJHQENNO-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001015056694 1338004558 /nfs/dbraw/zinc/00/45/58/1338004558.db2.gz IEVHGZHJHQENNO-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001015056694 1338004562 /nfs/dbraw/zinc/00/45/62/1338004562.db2.gz IEVHGZHJHQENNO-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001015499180 1338160367 /nfs/dbraw/zinc/16/03/67/1338160367.db2.gz OOZXJBQVVCYEOW-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001015791333 1338312594 /nfs/dbraw/zinc/31/25/94/1338312594.db2.gz CSICSTINUJFRRR-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001015791333 1338312598 /nfs/dbraw/zinc/31/25/98/1338312598.db2.gz CSICSTINUJFRRR-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001015791333 1338312599 /nfs/dbraw/zinc/31/25/99/1338312599.db2.gz CSICSTINUJFRRR-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001015974768 1338387176 /nfs/dbraw/zinc/38/71/76/1338387176.db2.gz HVTBZXQNSTVGHX-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001015974768 1338387179 /nfs/dbraw/zinc/38/71/79/1338387179.db2.gz HVTBZXQNSTVGHX-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001015974768 1338387183 /nfs/dbraw/zinc/38/71/83/1338387183.db2.gz HVTBZXQNSTVGHX-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(CC)CC)CC2 ZINC001016652017 1338679213 /nfs/dbraw/zinc/67/92/13/1338679213.db2.gz NIHGZEKRHJWQNC-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016661200 1338682267 /nfs/dbraw/zinc/68/22/67/1338682267.db2.gz DHHFQWZTMRSAAA-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001016661196 1338682641 /nfs/dbraw/zinc/68/26/41/1338682641.db2.gz DHHFQWZTMRSAAA-OALUTQOASA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016862395 1338751351 /nfs/dbraw/zinc/75/13/51/1338751351.db2.gz XVBLUNMSJYCVNQ-ZWKOTPCHSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC)CC2 ZINC001016924419 1338771599 /nfs/dbraw/zinc/77/15/99/1338771599.db2.gz WVQFBEUWEZIZSD-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001017140999 1338893644 /nfs/dbraw/zinc/89/36/44/1338893644.db2.gz BDEYDWSZPMGORD-ICSRJNTNSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001017225410 1338966057 /nfs/dbraw/zinc/96/60/57/1338966057.db2.gz YMLVGDIBULCBAC-QUCCMNQESA-N 2 1 349.563 3.221 20 0 EGADMP CC1CCC(C[N@@H+](C)C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001017261137 1338988886 /nfs/dbraw/zinc/98/88/86/1338988886.db2.gz RXJQPSCKJCKZAQ-MHJFOBGBSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)C(C)C)C1)[NH+]1CCCCC1 ZINC001017265915 1338991359 /nfs/dbraw/zinc/99/13/59/1338991359.db2.gz GTYJIMCWBWLQBL-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001017839958 1339429031 /nfs/dbraw/zinc/42/90/31/1339429031.db2.gz VRYNRMORSNEECX-HSALFYBXSA-N 2 1 347.547 3.259 20 0 EGADMP CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001017839958 1339429032 /nfs/dbraw/zinc/42/90/32/1339429032.db2.gz VRYNRMORSNEECX-HSALFYBXSA-N 2 1 347.547 3.259 20 0 EGADMP CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001017839958 1339429036 /nfs/dbraw/zinc/42/90/36/1339429036.db2.gz VRYNRMORSNEECX-HSALFYBXSA-N 2 1 347.547 3.259 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093645 1340421541 /nfs/dbraw/zinc/42/15/41/1340421541.db2.gz MWFWXGDYNOOHGT-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093645 1340421542 /nfs/dbraw/zinc/42/15/42/1340421542.db2.gz MWFWXGDYNOOHGT-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093645 1340421545 /nfs/dbraw/zinc/42/15/45/1340421545.db2.gz MWFWXGDYNOOHGT-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137310 1340450130 /nfs/dbraw/zinc/45/01/30/1340450130.db2.gz ISADMYKYJYWUJJ-XLIONFOSSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCCC2CCC2)CC1 ZINC001028234858 1340497681 /nfs/dbraw/zinc/49/76/81/1340497681.db2.gz JGAOLSFANLUYNM-HXUWFJFHSA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC=C(C)C ZINC001028251654 1340513468 /nfs/dbraw/zinc/51/34/68/1340513468.db2.gz IUXOFOICUTZGQP-RTBURBONSA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC=C(C)C ZINC001028251654 1340513470 /nfs/dbraw/zinc/51/34/70/1340513470.db2.gz IUXOFOICUTZGQP-RTBURBONSA-N 2 1 335.536 3.188 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC=C(C)C ZINC001028251654 1340513474 /nfs/dbraw/zinc/51/34/74/1340513474.db2.gz IUXOFOICUTZGQP-RTBURBONSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001028334939 1340572009 /nfs/dbraw/zinc/57/20/09/1340572009.db2.gz LCMBLTIQBKBSCY-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001028334939 1340572010 /nfs/dbraw/zinc/57/20/10/1340572010.db2.gz LCMBLTIQBKBSCY-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CC2(CCC2)C1 ZINC001028334939 1340572012 /nfs/dbraw/zinc/57/20/12/1340572012.db2.gz LCMBLTIQBKBSCY-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001028538030 1340693641 /nfs/dbraw/zinc/69/36/41/1340693641.db2.gz XXUFJYSFKQFHGI-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001028538030 1340693644 /nfs/dbraw/zinc/69/36/44/1340693644.db2.gz XXUFJYSFKQFHGI-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001028538030 1340693648 /nfs/dbraw/zinc/69/36/48/1340693648.db2.gz XXUFJYSFKQFHGI-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001028538060 1340694002 /nfs/dbraw/zinc/69/40/02/1340694002.db2.gz ZAYJJPXGRREECS-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001028538060 1340694004 /nfs/dbraw/zinc/69/40/04/1340694004.db2.gz ZAYJJPXGRREECS-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001028538060 1340694005 /nfs/dbraw/zinc/69/40/05/1340694005.db2.gz ZAYJJPXGRREECS-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001028845142 1340855587 /nfs/dbraw/zinc/85/55/87/1340855587.db2.gz GXSZNTGRPBUODX-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001028845142 1340855590 /nfs/dbraw/zinc/85/55/90/1340855590.db2.gz GXSZNTGRPBUODX-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001028845142 1340855593 /nfs/dbraw/zinc/85/55/93/1340855593.db2.gz GXSZNTGRPBUODX-UXHICEINSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001029146008 1340942769 /nfs/dbraw/zinc/94/27/69/1340942769.db2.gz GQJULGOQATUDOM-ROUUACIJSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)C1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2=CCCCC2)CCC1 ZINC001029337968 1340973882 /nfs/dbraw/zinc/97/38/82/1340973882.db2.gz XUGAOLDCEIVDSY-KDURUIRLSA-N 2 1 345.531 3.036 20 0 EGADMP CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1)[NH+](C)C ZINC001029347982 1340975073 /nfs/dbraw/zinc/97/50/73/1340975073.db2.gz NQKPQSODUUNAHG-ZCNNSNEGSA-N 2 1 349.563 3.218 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001029750414 1341063485 /nfs/dbraw/zinc/06/34/85/1341063485.db2.gz GXBBHCSJHOXTLW-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029750414 1341063486 /nfs/dbraw/zinc/06/34/86/1341063486.db2.gz GXBBHCSJHOXTLW-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029750414 1341063487 /nfs/dbraw/zinc/06/34/87/1341063487.db2.gz GXBBHCSJHOXTLW-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H](C[NH+](C)CC3CCCC3)C2)C1 ZINC001029816675 1341084979 /nfs/dbraw/zinc/08/49/79/1341084979.db2.gz LWTNZUFHZKZILT-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H](C[N@H+](C)CC3CCCC3)C2)C1 ZINC001029816675 1341084980 /nfs/dbraw/zinc/08/49/80/1341084980.db2.gz LWTNZUFHZKZILT-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H](C[N@@H+](C)CC3CCCC3)C2)C1 ZINC001029816675 1341084981 /nfs/dbraw/zinc/08/49/81/1341084981.db2.gz LWTNZUFHZKZILT-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@@H+](C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)CC1CCCCC1 ZINC001029910751 1341113859 /nfs/dbraw/zinc/11/38/59/1341113859.db2.gz ZBAGPYPJGTZALS-FQEVSTJZSA-N 2 1 349.563 3.223 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC(C[N@@H+](C)CC2CCCCC2)CC1)C1CC1 ZINC001029969924 1341139119 /nfs/dbraw/zinc/13/91/19/1341139119.db2.gz DANJGXUZHIMECR-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CC1(C)CC(C[NH+]2CC(NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001030831368 1341232040 /nfs/dbraw/zinc/23/20/40/1341232040.db2.gz GQULULMZHIDHFE-LJQANCHMSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC(C[NH+]2CC(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001030831368 1341232041 /nfs/dbraw/zinc/23/20/41/1341232041.db2.gz GQULULMZHIDHFE-LJQANCHMSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H](C(=O)NC1C[NH+](CCC2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC001031050020 1341270192 /nfs/dbraw/zinc/27/01/92/1341270192.db2.gz XDDNCWVLAZRKBV-GOSISDBHSA-N 2 1 349.563 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC2CCC(C)CC2)C1 ZINC001031235264 1341301297 /nfs/dbraw/zinc/30/12/97/1341301297.db2.gz PWYQVWKSZDRGBN-QLOJAFMTSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+](C)Cc1cccc(C(=O)NC2C[NH+](CCCC3CCCC3)C2)c1 ZINC001031433644 1341341237 /nfs/dbraw/zinc/34/12/37/1341341237.db2.gz OYEOYPBFOJWCSE-UHFFFAOYSA-N 2 1 343.515 3.133 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001031660277 1341384093 /nfs/dbraw/zinc/38/40/93/1341384093.db2.gz GRKZRRLPSRUDPL-UXHICEINSA-N 2 1 343.515 3.059 20 0 EGADMP O=C(NCC1C[NH+](CC2CCCCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001031767782 1341399126 /nfs/dbraw/zinc/39/91/26/1341399126.db2.gz YESLEGXKHDMFHV-PMACEKPBSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCC2=CCCCC2)C1 ZINC001032026224 1341441641 /nfs/dbraw/zinc/44/16/41/1341441641.db2.gz BAFPJDUTZFDGSR-HXUWFJFHSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCCC1)[NH+]1CCCC1 ZINC001032557943 1341539663 /nfs/dbraw/zinc/53/96/63/1341539663.db2.gz XWEZNPMIQFGOPN-OALUTQOASA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC(C)(C)C)cc1 ZINC001032684365 1341581713 /nfs/dbraw/zinc/58/17/13/1341581713.db2.gz NKSDVFQJDMOEAA-OALUTQOASA-N 2 1 343.515 3.083 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001032804087 1341619523 /nfs/dbraw/zinc/61/95/23/1341619523.db2.gz WQFSDCSIXLFIBF-SLFFLAALSA-N 2 1 343.515 3.011 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001032804087 1341619524 /nfs/dbraw/zinc/61/95/24/1341619524.db2.gz WQFSDCSIXLFIBF-SLFFLAALSA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838370 1341630970 /nfs/dbraw/zinc/63/09/70/1341630970.db2.gz NSDYOKFUPZQBKJ-KZNAEPCWSA-N 2 1 349.906 3.076 20 0 EGADMP CC[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032838370 1341630971 /nfs/dbraw/zinc/63/09/71/1341630971.db2.gz NSDYOKFUPZQBKJ-KZNAEPCWSA-N 2 1 349.906 3.076 20 0 EGADMP CC[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032838370 1341630974 /nfs/dbraw/zinc/63/09/74/1341630974.db2.gz NSDYOKFUPZQBKJ-KZNAEPCWSA-N 2 1 349.906 3.076 20 0 EGADMP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033074440 1341716056 /nfs/dbraw/zinc/71/60/56/1341716056.db2.gz AEQJWROHGYLKRQ-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCCC3CCCC3)C2)CC[N@H+]1C ZINC001033099947 1341722003 /nfs/dbraw/zinc/72/20/03/1341722003.db2.gz TWPRXNNVQCWBIB-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001033099947 1341722005 /nfs/dbraw/zinc/72/20/05/1341722005.db2.gz TWPRXNNVQCWBIB-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCCC3CCCC3)C2)CC[NH+]1C ZINC001033099947 1341722008 /nfs/dbraw/zinc/72/20/08/1341722008.db2.gz TWPRXNNVQCWBIB-HSALFYBXSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033123910 1341732479 /nfs/dbraw/zinc/73/24/79/1341732479.db2.gz UHWBMIOGTYIASB-GOEBONIOSA-N 2 1 337.533 3.002 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033123910 1341732482 /nfs/dbraw/zinc/73/24/82/1341732482.db2.gz UHWBMIOGTYIASB-GOEBONIOSA-N 2 1 337.533 3.002 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCC(C)(C)C)C2)C1 ZINC001033355270 1341794986 /nfs/dbraw/zinc/79/49/86/1341794986.db2.gz WTPZSVONPWUPTL-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001033355270 1341794987 /nfs/dbraw/zinc/79/49/87/1341794987.db2.gz WTPZSVONPWUPTL-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001033355270 1341794988 /nfs/dbraw/zinc/79/49/88/1341794988.db2.gz WTPZSVONPWUPTL-ZWKOTPCHSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001033466003 1341836924 /nfs/dbraw/zinc/83/69/24/1341836924.db2.gz BLLWDTXKHBDKKN-MJGOQNOKSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033472601 1341839864 /nfs/dbraw/zinc/83/98/64/1341839864.db2.gz YXPRSOFBMQETAN-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033472601 1341839867 /nfs/dbraw/zinc/83/98/67/1341839867.db2.gz YXPRSOFBMQETAN-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033472601 1341839870 /nfs/dbraw/zinc/83/98/70/1341839870.db2.gz YXPRSOFBMQETAN-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC001033530836 1341860375 /nfs/dbraw/zinc/86/03/75/1341860375.db2.gz HEQAGVWGBPTCFP-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033686649 1341952737 /nfs/dbraw/zinc/95/27/37/1341952737.db2.gz RLYPZLQAMRTORH-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033686649 1341952747 /nfs/dbraw/zinc/95/27/47/1341952747.db2.gz RLYPZLQAMRTORH-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033686649 1341952750 /nfs/dbraw/zinc/95/27/50/1341952750.db2.gz RLYPZLQAMRTORH-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC3CCC3)C2)o1 ZINC001033699071 1341966139 /nfs/dbraw/zinc/96/61/39/1341966139.db2.gz JWYAFYGYESAHMY-QGZVFWFLSA-N 2 1 347.503 3.068 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033826501 1342027562 /nfs/dbraw/zinc/02/75/62/1342027562.db2.gz QKKLNUADLJVHOU-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033826501 1342027565 /nfs/dbraw/zinc/02/75/65/1342027565.db2.gz QKKLNUADLJVHOU-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033826501 1342027568 /nfs/dbraw/zinc/02/75/68/1342027568.db2.gz QKKLNUADLJVHOU-MSOLQXFVSA-N 2 1 337.552 3.218 20 0 EGADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033829282 1342030210 /nfs/dbraw/zinc/03/02/10/1342030210.db2.gz VYFGNJKLXICJCG-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033829282 1342030213 /nfs/dbraw/zinc/03/02/13/1342030213.db2.gz VYFGNJKLXICJCG-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033829282 1342030214 /nfs/dbraw/zinc/03/02/14/1342030214.db2.gz VYFGNJKLXICJCG-VQTJNVASSA-N 2 1 347.547 3.282 20 0 EGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033833534 1342034014 /nfs/dbraw/zinc/03/40/14/1342034014.db2.gz IOLPTHAZMUWMDL-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033833534 1342034016 /nfs/dbraw/zinc/03/40/16/1342034016.db2.gz IOLPTHAZMUWMDL-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001033833534 1342034018 /nfs/dbraw/zinc/03/40/18/1342034018.db2.gz IOLPTHAZMUWMDL-YZGWKJHDSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033853390 1342044876 /nfs/dbraw/zinc/04/48/76/1342044876.db2.gz AHDQKAAKMSNCCP-DLBZAZTESA-N 2 1 346.519 3.120 20 0 EGADMP CCN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033853390 1342044880 /nfs/dbraw/zinc/04/48/80/1342044880.db2.gz AHDQKAAKMSNCCP-DLBZAZTESA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCC2CCC2)C1 ZINC001034205434 1342316258 /nfs/dbraw/zinc/31/62/58/1342316258.db2.gz WPRKDACWOWGAGC-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034205434 1342316262 /nfs/dbraw/zinc/31/62/62/1342316262.db2.gz WPRKDACWOWGAGC-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCC2CCC2)C1 ZINC001034205434 1342316266 /nfs/dbraw/zinc/31/62/66/1342316266.db2.gz WPRKDACWOWGAGC-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCCCC2)C1 ZINC001034238480 1342339591 /nfs/dbraw/zinc/33/95/91/1342339591.db2.gz CQMKEOMYQIFZID-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCCCC2)C1 ZINC001034238480 1342339595 /nfs/dbraw/zinc/33/95/95/1342339595.db2.gz CQMKEOMYQIFZID-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCCC2)C1 ZINC001034238480 1342339599 /nfs/dbraw/zinc/33/95/99/1342339599.db2.gz CQMKEOMYQIFZID-UXHICEINSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC(CC)CC)C1 ZINC001034239203 1342340010 /nfs/dbraw/zinc/34/00/10/1342340010.db2.gz JBAWOOALEWJISB-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC(CC)CC)C1 ZINC001034239203 1342340017 /nfs/dbraw/zinc/34/00/17/1342340017.db2.gz JBAWOOALEWJISB-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC(CC)CC)C1 ZINC001034239203 1342340019 /nfs/dbraw/zinc/34/00/19/1342340019.db2.gz JBAWOOALEWJISB-MOPGFXCFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034239211 1342340640 /nfs/dbraw/zinc/34/06/40/1342340640.db2.gz JCEVWTOLKJQOEW-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001034239211 1342340644 /nfs/dbraw/zinc/34/06/44/1342340644.db2.gz JCEVWTOLKJQOEW-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001034239211 1342340645 /nfs/dbraw/zinc/34/06/45/1342340645.db2.gz JCEVWTOLKJQOEW-RBUKOAKNSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034240914 1342340885 /nfs/dbraw/zinc/34/08/85/1342340885.db2.gz ULWXZBFVHRWGKV-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC001034240914 1342340888 /nfs/dbraw/zinc/34/08/88/1342340888.db2.gz ULWXZBFVHRWGKV-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC(C)(C)C)C1 ZINC001034240914 1342340891 /nfs/dbraw/zinc/34/08/91/1342340891.db2.gz ULWXZBFVHRWGKV-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](CC2CCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001034248431 1342346122 /nfs/dbraw/zinc/34/61/22/1342346122.db2.gz CAACQJCWVOKECY-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCCC[NH+](CC2CCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001034248431 1342346125 /nfs/dbraw/zinc/34/61/25/1342346125.db2.gz CAACQJCWVOKECY-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@@H]1CCCC[NH+](CC2CCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001034248431 1342346127 /nfs/dbraw/zinc/34/61/27/1342346127.db2.gz CAACQJCWVOKECY-QUCCMNQESA-N 2 1 347.547 3.164 20 0 EGADMP CCCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034251450 1342347819 /nfs/dbraw/zinc/34/78/19/1342347819.db2.gz ZHBYHPULFCDAND-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034251450 1342347824 /nfs/dbraw/zinc/34/78/24/1342347824.db2.gz ZHBYHPULFCDAND-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034251450 1342347826 /nfs/dbraw/zinc/34/78/26/1342347826.db2.gz ZHBYHPULFCDAND-PKOBYXMFSA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)(C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001034340004 1342413878 /nfs/dbraw/zinc/41/38/78/1342413878.db2.gz KUFNVVVFYRMSFT-LJQANCHMSA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034364907 1342435038 /nfs/dbraw/zinc/43/50/38/1342435038.db2.gz NLZCJBMIDHDCKS-SFHVURJKSA-N 2 1 349.519 3.362 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034364907 1342435040 /nfs/dbraw/zinc/43/50/40/1342435040.db2.gz NLZCJBMIDHDCKS-SFHVURJKSA-N 2 1 349.519 3.362 20 0 EGADMP O=C(N[C@H]1CCCC[N@@H+](CC2CC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001034366664 1342436414 /nfs/dbraw/zinc/43/64/14/1342436414.db2.gz CHFMSJLRYIXYPF-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCCC[NH+](CC2CC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001034366664 1342436419 /nfs/dbraw/zinc/43/64/19/1342436419.db2.gz CHFMSJLRYIXYPF-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCCC[NH+](CC2CC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001034366664 1342436422 /nfs/dbraw/zinc/43/64/22/1342436422.db2.gz CHFMSJLRYIXYPF-AZUAARDMSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034396398 1342465143 /nfs/dbraw/zinc/46/51/43/1342465143.db2.gz FIWNGPHEPCIVOW-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034396398 1342465149 /nfs/dbraw/zinc/46/51/49/1342465149.db2.gz FIWNGPHEPCIVOW-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034396398 1342465153 /nfs/dbraw/zinc/46/51/53/1342465153.db2.gz FIWNGPHEPCIVOW-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034406138 1342469895 /nfs/dbraw/zinc/46/98/95/1342469895.db2.gz WKYGVFHAFSWNQC-FQEVSTJZSA-N 2 1 345.531 3.031 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034425524 1342486963 /nfs/dbraw/zinc/48/69/63/1342486963.db2.gz GLROPHUQVWUNGB-SJORKVTESA-N 2 1 334.508 3.023 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034425524 1342486968 /nfs/dbraw/zinc/48/69/68/1342486968.db2.gz GLROPHUQVWUNGB-SJORKVTESA-N 2 1 334.508 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](CC2CC(C)C2)C1 ZINC001034425177 1342487351 /nfs/dbraw/zinc/48/73/51/1342487351.db2.gz DOTQPAIMDULJEI-ABHNRTSZSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](CC2CC(C)C2)C1 ZINC001034425177 1342487353 /nfs/dbraw/zinc/48/73/53/1342487353.db2.gz DOTQPAIMDULJEI-ABHNRTSZSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001034437663 1342500648 /nfs/dbraw/zinc/50/06/48/1342500648.db2.gz IBACOWOHCGJHCI-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@H](F)CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444516 1342503970 /nfs/dbraw/zinc/50/39/70/1342503970.db2.gz HSNSQQNSKJLMGS-QFBILLFUSA-N 2 1 349.494 3.081 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](CCC3CCCCC3)C2)C1 ZINC001034490031 1342547022 /nfs/dbraw/zinc/54/70/22/1342547022.db2.gz IDCCJYROCYPKDJ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@H+](CCC3CCCCC3)C2)C1 ZINC001034490031 1342547025 /nfs/dbraw/zinc/54/70/25/1342547025.db2.gz IDCCJYROCYPKDJ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001034490031 1342547027 /nfs/dbraw/zinc/54/70/27/1342547027.db2.gz IDCCJYROCYPKDJ-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034536428 1342592407 /nfs/dbraw/zinc/59/24/07/1342592407.db2.gz FZVLIGAINBIYSS-FXAWDEMLSA-N 2 1 345.531 3.379 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(C)C3)CC2)C1 ZINC001034663078 1342677301 /nfs/dbraw/zinc/67/73/01/1342677301.db2.gz SJVXOQZJTPECLU-WFAGLZIHSA-N 2 1 349.563 3.027 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034671997 1342682832 /nfs/dbraw/zinc/68/28/32/1342682832.db2.gz GIQUPPCVPZWHFP-GUDVDZBRSA-N 2 1 335.536 3.068 20 0 EGADMP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001034675093 1342686230 /nfs/dbraw/zinc/68/62/30/1342686230.db2.gz NWYGWMXAQIBUKB-LWYYNNOASA-N 2 1 347.547 3.211 20 0 EGADMP O=C(N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001034716361 1342711433 /nfs/dbraw/zinc/71/14/33/1342711433.db2.gz YSOHPAGAABYVPT-QWFCFKBJSA-N 2 1 347.547 3.211 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCCC3)CC2)C1 ZINC001034734337 1342728278 /nfs/dbraw/zinc/72/82/78/1342728278.db2.gz ONVRZHGBDSTYRQ-IHPCNDPISA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1 ZINC001034736666 1342729178 /nfs/dbraw/zinc/72/91/78/1342729178.db2.gz ZVBVWJGLBPHNQE-MISYRCLQSA-N 2 1 347.547 3.378 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[C@@H]([NH2+]CC2CCC(C)CC2)CC1 ZINC001034735890 1342729219 /nfs/dbraw/zinc/72/92/19/1342729219.db2.gz PJJHDRFAFHQRIH-DRRJLQACSA-N 2 1 349.563 3.314 20 0 EGADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)cs1 ZINC001034736266 1342729405 /nfs/dbraw/zinc/72/94/05/1342729405.db2.gz VASQPGMJTPISKK-ZTFGCOKTSA-N 2 1 349.544 3.058 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1)c1ccccc1 ZINC001034738883 1342730073 /nfs/dbraw/zinc/73/00/73/1342730073.db2.gz XGHNJQLKMIJKKE-PIKOESSRSA-N 2 1 343.515 3.249 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001034796588 1342763026 /nfs/dbraw/zinc/76/30/26/1342763026.db2.gz JXLQBJYPEXENTB-KPOQHDDYSA-N 2 1 349.544 3.138 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]C(C)C)cc1 ZINC001034828156 1342788359 /nfs/dbraw/zinc/78/83/59/1342788359.db2.gz MEHJPKGBMMQZCJ-HXUWFJFHSA-N 2 1 345.531 3.455 20 0 EGADMP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C[N@H+]1CCC(C)(C)C1)c1ccccc1 ZINC001035048866 1342898537 /nfs/dbraw/zinc/89/85/37/1342898537.db2.gz ZWROUGKHLGWTBM-PKOBYXMFSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001035071608 1342912021 /nfs/dbraw/zinc/91/20/21/1342912021.db2.gz ZMBWQNQGDVFQPN-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC2(CC[NH+](CCC(C)(C)C)C2)CC1 ZINC001035198215 1343011578 /nfs/dbraw/zinc/01/15/78/1343011578.db2.gz FZBYBKMIXDEIOY-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC2(CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001035198215 1343011583 /nfs/dbraw/zinc/01/15/83/1343011583.db2.gz FZBYBKMIXDEIOY-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001035198215 1343011585 /nfs/dbraw/zinc/01/15/85/1343011585.db2.gz FZBYBKMIXDEIOY-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)(C)C1)CC2 ZINC001035227616 1343049207 /nfs/dbraw/zinc/04/92/07/1343049207.db2.gz SLDFAPFKSAIXCA-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC(C)(C)C1)CC2 ZINC001035227616 1343049213 /nfs/dbraw/zinc/04/92/13/1343049213.db2.gz SLDFAPFKSAIXCA-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@H](C)C[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CCC(C)(C)C1)CC2 ZINC001035227616 1343049215 /nfs/dbraw/zinc/04/92/15/1343049215.db2.gz SLDFAPFKSAIXCA-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C(=O)N1CCC2(CC[N@@H+](CC3=CCCCC3)C2)CC1)[NH+](C)C ZINC001035229578 1343050871 /nfs/dbraw/zinc/05/08/71/1343050871.db2.gz RWWFRIFFLMPUFP-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001036408007 1343468959 /nfs/dbraw/zinc/46/89/59/1343468959.db2.gz CYVOKBXSXSTSRA-HKUYNNGSSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]([NH2+]CC1CCCC1)[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001036448257 1343493592 /nfs/dbraw/zinc/49/35/92/1343493592.db2.gz BCBXOCCOCUNWIV-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820383 1343759175 /nfs/dbraw/zinc/75/91/75/1343759175.db2.gz IBWCGKWIZDSGNC-MSOLQXFVSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820383 1343759179 /nfs/dbraw/zinc/75/91/79/1343759179.db2.gz IBWCGKWIZDSGNC-MSOLQXFVSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820383 1343759182 /nfs/dbraw/zinc/75/91/82/1343759182.db2.gz IBWCGKWIZDSGNC-MSOLQXFVSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCCC1CCCC1 ZINC001038777855 1344581055 /nfs/dbraw/zinc/58/10/55/1344581055.db2.gz CTDQFCXZEFIOAH-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001038777855 1344581057 /nfs/dbraw/zinc/58/10/57/1344581057.db2.gz CTDQFCXZEFIOAH-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001038777855 1344581061 /nfs/dbraw/zinc/58/10/61/1344581061.db2.gz CTDQFCXZEFIOAH-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCCCC1 ZINC001038777802 1344581270 /nfs/dbraw/zinc/58/12/70/1344581270.db2.gz CFMGRYQZJBATGM-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001038777802 1344581274 /nfs/dbraw/zinc/58/12/74/1344581274.db2.gz CFMGRYQZJBATGM-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001038777802 1344581275 /nfs/dbraw/zinc/58/12/75/1344581275.db2.gz CFMGRYQZJBATGM-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1=CCCCC1 ZINC001038782913 1344581988 /nfs/dbraw/zinc/58/19/88/1344581988.db2.gz VOLUPZGBRIRNLG-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001038782913 1344581989 /nfs/dbraw/zinc/58/19/89/1344581989.db2.gz VOLUPZGBRIRNLG-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001038782913 1344581991 /nfs/dbraw/zinc/58/19/91/1344581991.db2.gz VOLUPZGBRIRNLG-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CC2(CCC2)C1 ZINC001038783369 1344582864 /nfs/dbraw/zinc/58/28/64/1344582864.db2.gz WVVQSQOJKWXILI-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001038783369 1344582867 /nfs/dbraw/zinc/58/28/67/1344582867.db2.gz WVVQSQOJKWXILI-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001038783369 1344582868 /nfs/dbraw/zinc/58/28/68/1344582868.db2.gz WVVQSQOJKWXILI-MOPGFXCFSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001038908381 1344646380 /nfs/dbraw/zinc/64/63/80/1344646380.db2.gz JGGYUWWHASZJAD-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001038908381 1344646382 /nfs/dbraw/zinc/64/63/82/1344646382.db2.gz JGGYUWWHASZJAD-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001038908381 1344646385 /nfs/dbraw/zinc/64/63/85/1344646385.db2.gz JGGYUWWHASZJAD-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140096 1344820613 /nfs/dbraw/zinc/82/06/13/1344820613.db2.gz QLTGOTYIGVCTED-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039140096 1344820617 /nfs/dbraw/zinc/82/06/17/1344820617.db2.gz QLTGOTYIGVCTED-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039140096 1344820620 /nfs/dbraw/zinc/82/06/20/1344820620.db2.gz QLTGOTYIGVCTED-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([C@H]3CC[NH+](C(C)C)C3)CC2)C1 ZINC001039152357 1344835869 /nfs/dbraw/zinc/83/58/69/1344835869.db2.gz XPOXQZYWGQUEAM-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC([C@H]3CC[N@@H+](C(C)C)C3)CC2)C1 ZINC001039152357 1344835870 /nfs/dbraw/zinc/83/58/70/1344835870.db2.gz XPOXQZYWGQUEAM-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC([C@H]3CC[N@H+](C(C)C)C3)CC2)C1 ZINC001039152357 1344835875 /nfs/dbraw/zinc/83/58/75/1344835875.db2.gz XPOXQZYWGQUEAM-PMACEKPBSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@H](C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC001039167960 1344855757 /nfs/dbraw/zinc/85/57/57/1344855757.db2.gz IAQMUFWWMLHQAZ-FQEVSTJZSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228898 1344948368 /nfs/dbraw/zinc/94/83/68/1344948368.db2.gz KZLMOYGUZWLRKX-LPHOPBHVSA-N 2 1 340.471 3.061 20 0 EGADMP CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228900 1344948713 /nfs/dbraw/zinc/94/87/13/1344948713.db2.gz KZLMOYGUZWLRKX-QFBILLFUSA-N 2 1 340.471 3.061 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243109 1344970631 /nfs/dbraw/zinc/97/06/31/1344970631.db2.gz SNCZIUIZUGLOTA-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001039375335 1345033244 /nfs/dbraw/zinc/03/32/44/1345033244.db2.gz YPQQHEHCSNZGOG-SXLOBPIMSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001039375335 1345033247 /nfs/dbraw/zinc/03/32/47/1345033247.db2.gz YPQQHEHCSNZGOG-SXLOBPIMSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001039375335 1345033249 /nfs/dbraw/zinc/03/32/49/1345033249.db2.gz YPQQHEHCSNZGOG-SXLOBPIMSA-N 2 1 347.547 3.115 20 0 EGADMP CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001039386993 1345039563 /nfs/dbraw/zinc/03/95/63/1345039563.db2.gz NNIFBWBMPDKFDE-QRVBRYPASA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001039386993 1345039559 /nfs/dbraw/zinc/03/95/59/1345039559.db2.gz NNIFBWBMPDKFDE-QRVBRYPASA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001039386993 1345039561 /nfs/dbraw/zinc/03/95/61/1345039561.db2.gz NNIFBWBMPDKFDE-QRVBRYPASA-N 2 1 335.536 3.115 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001039444699 1345070410 /nfs/dbraw/zinc/07/04/10/1345070410.db2.gz OFBNOBDWNPEUPP-KSZLIROESA-N 2 1 346.519 3.118 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001039444699 1345070412 /nfs/dbraw/zinc/07/04/12/1345070412.db2.gz OFBNOBDWNPEUPP-KSZLIROESA-N 2 1 346.519 3.118 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001039447789 1345072451 /nfs/dbraw/zinc/07/24/51/1345072451.db2.gz KAQLXYAFTPUQLL-ZCNNSNEGSA-N 2 1 347.547 3.282 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001039474536 1345089216 /nfs/dbraw/zinc/08/92/16/1345089216.db2.gz MXKBDTDPDIVGHJ-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001039913810 1345245103 /nfs/dbraw/zinc/24/51/03/1345245103.db2.gz DWPVKRRVQICWMN-YSIASYRMSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001039913810 1345245107 /nfs/dbraw/zinc/24/51/07/1345245107.db2.gz DWPVKRRVQICWMN-YSIASYRMSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001039913810 1345245111 /nfs/dbraw/zinc/24/51/11/1345245111.db2.gz DWPVKRRVQICWMN-YSIASYRMSA-N 2 1 345.531 3.036 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001040014905 1345288311 /nfs/dbraw/zinc/28/83/11/1345288311.db2.gz UAVHZXJJZPLCIV-TZRIAGMCSA-N 2 1 347.547 3.115 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001040014905 1345288313 /nfs/dbraw/zinc/28/83/13/1345288313.db2.gz UAVHZXJJZPLCIV-TZRIAGMCSA-N 2 1 347.547 3.115 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001040014905 1345288315 /nfs/dbraw/zinc/28/83/15/1345288315.db2.gz UAVHZXJJZPLCIV-TZRIAGMCSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199966 1345372429 /nfs/dbraw/zinc/37/24/29/1345372429.db2.gz DHLHVZAQAVWHPP-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040199966 1345372431 /nfs/dbraw/zinc/37/24/31/1345372431.db2.gz DHLHVZAQAVWHPP-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040199966 1345372434 /nfs/dbraw/zinc/37/24/34/1345372434.db2.gz DHLHVZAQAVWHPP-PZJWPPBQSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CCC(C)(C)C)C3)CC[N@H+]1C ZINC001040209402 1345375865 /nfs/dbraw/zinc/37/58/65/1345375865.db2.gz JHBFIPFFTGHYSJ-OPYAIIAOSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC(C)(C)C)C3)CC[NH+]1C ZINC001040209402 1345375867 /nfs/dbraw/zinc/37/58/67/1345375867.db2.gz JHBFIPFFTGHYSJ-OPYAIIAOSA-N 2 1 349.563 3.077 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC(C)(C)C)C3)CC[NH+]1C ZINC001040209402 1345375870 /nfs/dbraw/zinc/37/58/70/1345375870.db2.gz JHBFIPFFTGHYSJ-OPYAIIAOSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CC=C(C)C)C2 ZINC001040232994 1345387718 /nfs/dbraw/zinc/38/77/18/1345387718.db2.gz UZXZVYKPDYCYSQ-PZJWPPBQSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC=C(C)C)C2 ZINC001040232994 1345387721 /nfs/dbraw/zinc/38/77/21/1345387721.db2.gz UZXZVYKPDYCYSQ-PZJWPPBQSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC=C(C)C)C2 ZINC001040232994 1345387723 /nfs/dbraw/zinc/38/77/23/1345387723.db2.gz UZXZVYKPDYCYSQ-PZJWPPBQSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040699553 1345567088 /nfs/dbraw/zinc/56/70/88/1345567088.db2.gz AZYGBZFJNMVUGJ-IBGZPJMESA-N 2 1 349.563 3.220 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC3(C2)CC[NH+](CCC(C)(C)C)CC3)C1 ZINC001040847909 1345587743 /nfs/dbraw/zinc/58/77/43/1345587743.db2.gz CCSBIBWMANJAHT-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041335746 1345705652 /nfs/dbraw/zinc/70/56/52/1345705652.db2.gz CTHSOFDMFKHMNH-LJQANCHMSA-N 2 1 349.544 3.148 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CCC(C)C)C3)C2)C1 ZINC001041587763 1345783685 /nfs/dbraw/zinc/78/36/85/1345783685.db2.gz RULQTQPMEGYFEA-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](CCC(C)C)C3)C2)C1 ZINC001041587763 1345783688 /nfs/dbraw/zinc/78/36/88/1345783688.db2.gz RULQTQPMEGYFEA-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](CCC(C)C)C3)C2)C1 ZINC001041587763 1345783691 /nfs/dbraw/zinc/78/36/91/1345783691.db2.gz RULQTQPMEGYFEA-TZIWHRDSSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CCC3CCCC3)C2)C1)[NH+](C)C ZINC001041644804 1345808889 /nfs/dbraw/zinc/80/88/89/1345808889.db2.gz GZTUKALBZIRVMC-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725503 1345832507 /nfs/dbraw/zinc/83/25/07/1345832507.db2.gz NSYGXGLPBSIEQH-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1C[NH+](CCC2CCCCC2)C1 ZINC001042920245 1346125114 /nfs/dbraw/zinc/12/51/14/1346125114.db2.gz XJUZDISOGNZNJU-LJQANCHMSA-N 2 1 349.563 3.362 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001043512867 1346185455 /nfs/dbraw/zinc/18/54/55/1346185455.db2.gz GTGXABAFBGWRGZ-QGZVFWFLSA-N 2 1 343.515 3.073 20 0 EGADMP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1)[NH+](C)C ZINC001045797273 1346701006 /nfs/dbraw/zinc/70/10/06/1346701006.db2.gz YIYDSGMOAOPZSA-AABGKKOBSA-N 2 1 347.547 3.138 20 0 EGADMP CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1)[NH+](C)C ZINC001045802753 1346702388 /nfs/dbraw/zinc/70/23/88/1346702388.db2.gz PTHUSYIWHCSNLK-HSALFYBXSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1)[NH+](C)C ZINC001045842168 1346717190 /nfs/dbraw/zinc/71/71/90/1346717190.db2.gz YIYDSGMOAOPZSA-HSALFYBXSA-N 2 1 347.547 3.138 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1)[NH+](C)C ZINC001045849327 1346720222 /nfs/dbraw/zinc/72/02/22/1346720222.db2.gz GKIGDKXXEMHMCY-AABGKKOBSA-N 2 1 349.563 3.362 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001045949316 1346784419 /nfs/dbraw/zinc/78/44/19/1346784419.db2.gz DHELIBLZKSZPTD-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001045949316 1346784422 /nfs/dbraw/zinc/78/44/22/1346784422.db2.gz DHELIBLZKSZPTD-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001045949316 1346784426 /nfs/dbraw/zinc/78/44/26/1346784426.db2.gz DHELIBLZKSZPTD-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045970041 1346805433 /nfs/dbraw/zinc/80/54/33/1346805433.db2.gz AGGKNXUQJAFRCC-OAQYLSRUSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001045974104 1346810382 /nfs/dbraw/zinc/81/03/82/1346810382.db2.gz YEUAUHCBESYHCK-CTNGQTDRSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001045974104 1346810383 /nfs/dbraw/zinc/81/03/83/1346810383.db2.gz YEUAUHCBESYHCK-CTNGQTDRSA-N 2 1 349.563 3.362 20 0 EGADMP CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001045975279 1346811647 /nfs/dbraw/zinc/81/16/47/1346811647.db2.gz YPYTVFLCEWKFTM-OAQYLSRUSA-N 2 1 343.515 3.086 20 0 EGADMP C[C@]1(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+](CC2CCC2)C1 ZINC001046317010 1346931893 /nfs/dbraw/zinc/93/18/93/1346931893.db2.gz DGLCBAIBXTVIRW-RXVVDRJESA-N 2 1 347.547 3.022 20 0 EGADMP C[C@]1(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+](CC2CCC2)C1 ZINC001046317010 1346931895 /nfs/dbraw/zinc/93/18/95/1346931895.db2.gz DGLCBAIBXTVIRW-RXVVDRJESA-N 2 1 347.547 3.022 20 0 EGADMP C[C@]1(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](CC2CCC2)C1 ZINC001046317010 1346931898 /nfs/dbraw/zinc/93/18/98/1346931898.db2.gz DGLCBAIBXTVIRW-RXVVDRJESA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001046330692 1346936589 /nfs/dbraw/zinc/93/65/89/1346936589.db2.gz QCPJORPDGUXBSR-QKNQBKEWSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001046330692 1346936590 /nfs/dbraw/zinc/93/65/90/1346936590.db2.gz QCPJORPDGUXBSR-QKNQBKEWSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001046330692 1346936592 /nfs/dbraw/zinc/93/65/92/1346936592.db2.gz QCPJORPDGUXBSR-QKNQBKEWSA-N 2 1 347.547 3.188 20 0 EGADMP Cc1c(C(=O)N[C@]2(C)CC[N@@H+](CC3CCCC3)C2)ccc2c[nH+]cn21 ZINC001046436429 1346975403 /nfs/dbraw/zinc/97/54/03/1346975403.db2.gz PWJPCUCLEISMNU-HXUWFJFHSA-N 2 1 340.471 3.027 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@]2(C)CC[NH+](CCC3CCCC3)C2)C1 ZINC001046561995 1347018282 /nfs/dbraw/zinc/01/82/82/1347018282.db2.gz LCENLLJFMKBVDT-PZJWPPBQSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@]2(C)CC[N@H+](CCC3CCCC3)C2)C1 ZINC001046561995 1347018284 /nfs/dbraw/zinc/01/82/84/1347018284.db2.gz LCENLLJFMKBVDT-PZJWPPBQSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001046561995 1347018286 /nfs/dbraw/zinc/01/82/86/1347018286.db2.gz LCENLLJFMKBVDT-PZJWPPBQSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001046569885 1347021930 /nfs/dbraw/zinc/02/19/30/1347021930.db2.gz PPTMUNKBFPTHSQ-CUWPLCDZSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001046569885 1347021933 /nfs/dbraw/zinc/02/19/33/1347021933.db2.gz PPTMUNKBFPTHSQ-CUWPLCDZSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001046569885 1347021934 /nfs/dbraw/zinc/02/19/34/1347021934.db2.gz PPTMUNKBFPTHSQ-CUWPLCDZSA-N 2 1 347.547 3.188 20 0 EGADMP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047242358 1347268026 /nfs/dbraw/zinc/26/80/26/1347268026.db2.gz CNAQACBHXAOWDN-WOJBJXKFSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698159 1357350658 /nfs/dbraw/zinc/35/06/58/1357350658.db2.gz MKTQCHOCKMOUQW-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC2CCCC2)C1 ZINC001047991648 1347436338 /nfs/dbraw/zinc/43/63/38/1347436338.db2.gz GUABANJVYMPHBM-FUHWJXTLSA-N 2 1 346.519 3.023 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001048530760 1347580080 /nfs/dbraw/zinc/58/00/80/1347580080.db2.gz AZCMERQOFLNJAY-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001048530760 1347580082 /nfs/dbraw/zinc/58/00/82/1347580082.db2.gz AZCMERQOFLNJAY-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001048530760 1347580084 /nfs/dbraw/zinc/58/00/84/1347580084.db2.gz AZCMERQOFLNJAY-YRPNKDGESA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)CC ZINC001048529967 1347580195 /nfs/dbraw/zinc/58/01/95/1347580195.db2.gz AEZLYQAQJWDKRG-OBKDMQGPSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)CC ZINC001048529967 1347580198 /nfs/dbraw/zinc/58/01/98/1347580198.db2.gz AEZLYQAQJWDKRG-OBKDMQGPSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001048529967 1347580200 /nfs/dbraw/zinc/58/02/00/1347580200.db2.gz AEZLYQAQJWDKRG-OBKDMQGPSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048538214 1347583485 /nfs/dbraw/zinc/58/34/85/1347583485.db2.gz MONXXPZNJKYQNS-OBKDMQGPSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)C2 ZINC001048538214 1347583489 /nfs/dbraw/zinc/58/34/89/1347583489.db2.gz MONXXPZNJKYQNS-OBKDMQGPSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)C2 ZINC001048538214 1347583490 /nfs/dbraw/zinc/58/34/90/1347583490.db2.gz MONXXPZNJKYQNS-OBKDMQGPSA-N 2 1 347.547 3.019 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049486292 1347871382 /nfs/dbraw/zinc/87/13/82/1347871382.db2.gz RBSXVCKCNYLTDO-OKZBNKHCSA-N 2 1 346.519 3.262 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049486292 1347871388 /nfs/dbraw/zinc/87/13/88/1347871388.db2.gz RBSXVCKCNYLTDO-OKZBNKHCSA-N 2 1 346.519 3.262 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCC1 ZINC001049520626 1347889080 /nfs/dbraw/zinc/88/90/80/1347889080.db2.gz CXDHTPPLMYKUCX-VAMGGRTRSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCC1 ZINC001049520626 1347889081 /nfs/dbraw/zinc/88/90/81/1347889081.db2.gz CXDHTPPLMYKUCX-VAMGGRTRSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCC1 ZINC001049520626 1347889083 /nfs/dbraw/zinc/88/90/83/1347889083.db2.gz CXDHTPPLMYKUCX-VAMGGRTRSA-N 2 1 347.547 3.115 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049563809 1347911519 /nfs/dbraw/zinc/91/15/19/1347911519.db2.gz DTSXFRXOIZWMHO-ZCNNSNEGSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001049563809 1347911522 /nfs/dbraw/zinc/91/15/22/1347911522.db2.gz DTSXFRXOIZWMHO-ZCNNSNEGSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001049563809 1347911525 /nfs/dbraw/zinc/91/15/25/1347911525.db2.gz DTSXFRXOIZWMHO-ZCNNSNEGSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049637591 1347947614 /nfs/dbraw/zinc/94/76/14/1347947614.db2.gz HRNYOLNIFNBGOO-MSOLQXFVSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820649 1348037169 /nfs/dbraw/zinc/03/71/69/1348037169.db2.gz LPTJMHHISLIPEY-SXLOBPIMSA-N 2 1 349.563 3.218 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1C ZINC001079805333 1357388418 /nfs/dbraw/zinc/38/84/18/1357388418.db2.gz NIUCAIIVQYSFEM-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1C ZINC001079805333 1357388422 /nfs/dbraw/zinc/38/84/22/1357388422.db2.gz NIUCAIIVQYSFEM-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1C ZINC001079805333 1357388424 /nfs/dbraw/zinc/38/84/24/1357388424.db2.gz NIUCAIIVQYSFEM-RLLQIKCJSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049908351 1348105874 /nfs/dbraw/zinc/10/58/74/1348105874.db2.gz HVHMXJKYRHLOGI-VQTJNVASSA-N 2 1 343.515 3.083 20 0 EGADMP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049913999 1348109157 /nfs/dbraw/zinc/10/91/57/1348109157.db2.gz LCDLJNYFKNLXHT-ZCNNSNEGSA-N 2 1 343.515 3.155 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001049913999 1348109160 /nfs/dbraw/zinc/10/91/60/1348109160.db2.gz LCDLJNYFKNLXHT-ZCNNSNEGSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049915603 1348109812 /nfs/dbraw/zinc/10/98/12/1348109812.db2.gz XFSVBAVLIAATLH-XUVXKRRUSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049919384 1348112428 /nfs/dbraw/zinc/11/24/28/1348112428.db2.gz OSNPHRQPCMTGGF-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC001050046438 1348164903 /nfs/dbraw/zinc/16/49/03/1348164903.db2.gz DNVJKHPEYQDLAP-IPMKNSEASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001050046438 1348164904 /nfs/dbraw/zinc/16/49/04/1348164904.db2.gz DNVJKHPEYQDLAP-IPMKNSEASA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001050046438 1348164906 /nfs/dbraw/zinc/16/49/06/1348164906.db2.gz DNVJKHPEYQDLAP-IPMKNSEASA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21)[NH+](C)C ZINC001050144983 1348195509 /nfs/dbraw/zinc/19/55/09/1348195509.db2.gz XJGYJTKXPGQZTH-SLFFLAALSA-N 2 1 347.547 3.140 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCCC2)CC1 ZINC001050302682 1348227814 /nfs/dbraw/zinc/22/78/14/1348227814.db2.gz MZTJJLHKCYRLBH-VAMGGRTRSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001050324876 1348228332 /nfs/dbraw/zinc/22/83/32/1348228332.db2.gz FBXZJADXPGIISL-GUDVDZBRSA-N 2 1 349.563 3.314 20 0 EGADMP O=C(N[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001050332178 1348229685 /nfs/dbraw/zinc/22/96/85/1348229685.db2.gz GRJSBYDBZLCTNI-QWFCFKBJSA-N 2 1 347.547 3.068 20 0 EGADMP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001050356872 1348236758 /nfs/dbraw/zinc/23/67/58/1348236758.db2.gz GAOQZUYLOMMAPK-QWFCFKBJSA-N 2 1 349.563 3.457 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001050687077 1348327459 /nfs/dbraw/zinc/32/74/59/1348327459.db2.gz GAFDIGMHGFQDEG-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)CC1 ZINC001052369827 1348534319 /nfs/dbraw/zinc/53/43/19/1348534319.db2.gz VVAONPCMOJBIPT-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001052369827 1348534322 /nfs/dbraw/zinc/53/43/22/1348534322.db2.gz VVAONPCMOJBIPT-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001052369827 1348534324 /nfs/dbraw/zinc/53/43/24/1348534324.db2.gz VVAONPCMOJBIPT-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052377073 1348535069 /nfs/dbraw/zinc/53/50/69/1348535069.db2.gz MQRCPXFTQKWCJS-SFHVURJKSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001052378223 1348535671 /nfs/dbraw/zinc/53/56/71/1348535671.db2.gz UPMOZKYRIQEMTN-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001052378223 1348535673 /nfs/dbraw/zinc/53/56/73/1348535673.db2.gz UPMOZKYRIQEMTN-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001052378223 1348535675 /nfs/dbraw/zinc/53/56/75/1348535675.db2.gz UPMOZKYRIQEMTN-UXHICEINSA-N 2 1 343.515 3.030 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052378987 1348536284 /nfs/dbraw/zinc/53/62/84/1348536284.db2.gz ZKCYCSXUQYEHRQ-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381385 1348536742 /nfs/dbraw/zinc/53/67/42/1348536742.db2.gz PRYDSNMRCXUQGJ-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052381385 1348536743 /nfs/dbraw/zinc/53/67/43/1348536743.db2.gz PRYDSNMRCXUQGJ-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052381385 1348536747 /nfs/dbraw/zinc/53/67/47/1348536747.db2.gz PRYDSNMRCXUQGJ-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCC(C)(C)C)CC2)CC[N@H+]1C ZINC001052395611 1348539758 /nfs/dbraw/zinc/53/97/58/1348539758.db2.gz WBBLWCLCYLHSDJ-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](CCC(C)(C)C)CC2)CC[NH+]1C ZINC001052395611 1348539761 /nfs/dbraw/zinc/53/97/61/1348539761.db2.gz WBBLWCLCYLHSDJ-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCC(C)(C)C)CC2)CC[NH+]1C ZINC001052395611 1348539762 /nfs/dbraw/zinc/53/97/62/1348539762.db2.gz WBBLWCLCYLHSDJ-OKZBNKHCSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC001052394914 1348539826 /nfs/dbraw/zinc/53/98/26/1348539826.db2.gz HMYLMRJPRYVDDO-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)CC2)CC[NH+]1C ZINC001052394914 1348539828 /nfs/dbraw/zinc/53/98/28/1348539828.db2.gz HMYLMRJPRYVDDO-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)CC2)CC[NH+]1C ZINC001052394914 1348539830 /nfs/dbraw/zinc/53/98/30/1348539830.db2.gz HMYLMRJPRYVDDO-SLFFLAALSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)CC1 ZINC001052499310 1348560413 /nfs/dbraw/zinc/56/04/13/1348560413.db2.gz SWRCNBCWGONICG-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001052499310 1348560414 /nfs/dbraw/zinc/56/04/14/1348560414.db2.gz SWRCNBCWGONICG-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001052499310 1348560415 /nfs/dbraw/zinc/56/04/15/1348560415.db2.gz SWRCNBCWGONICG-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1)[NH+]1CCCC1 ZINC001052621253 1348598537 /nfs/dbraw/zinc/59/85/37/1348598537.db2.gz ZFTUCQHMRDOUAX-SFHVURJKSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001052715583 1348645818 /nfs/dbraw/zinc/64/58/18/1348645818.db2.gz GASDQNNDUBNVDO-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC001052715583 1348645821 /nfs/dbraw/zinc/64/58/21/1348645821.db2.gz GASDQNNDUBNVDO-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001052715583 1348645825 /nfs/dbraw/zinc/64/58/25/1348645825.db2.gz GASDQNNDUBNVDO-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001052717076 1348646237 /nfs/dbraw/zinc/64/62/37/1348646237.db2.gz SJJFZARBRPQWTB-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC001052717076 1348646240 /nfs/dbraw/zinc/64/62/40/1348646240.db2.gz SJJFZARBRPQWTB-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC001052717076 1348646243 /nfs/dbraw/zinc/64/62/43/1348646243.db2.gz SJJFZARBRPQWTB-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764388 1348669750 /nfs/dbraw/zinc/66/97/50/1348669750.db2.gz NTYLAOFRHHOANK-RBUKOAKNSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764988 1348669872 /nfs/dbraw/zinc/66/98/72/1348669872.db2.gz UTLMMOPGDSCIOA-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001052937577 1348756843 /nfs/dbraw/zinc/75/68/43/1348756843.db2.gz MAXPFYVRBYCUHV-UYAOXDASSA-N 2 1 343.515 3.123 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC001052938227 1348757169 /nfs/dbraw/zinc/75/71/69/1348757169.db2.gz UXBMCJRIDRQMGA-LJQANCHMSA-N 2 1 344.503 3.053 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC001052938227 1348757172 /nfs/dbraw/zinc/75/71/72/1348757172.db2.gz UXBMCJRIDRQMGA-LJQANCHMSA-N 2 1 344.503 3.053 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC001052956805 1348770973 /nfs/dbraw/zinc/77/09/73/1348770973.db2.gz ZDKOJZKWNLQDAD-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001052956805 1348770977 /nfs/dbraw/zinc/77/09/77/1348770977.db2.gz ZDKOJZKWNLQDAD-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001052956805 1348770979 /nfs/dbraw/zinc/77/09/79/1348770979.db2.gz ZDKOJZKWNLQDAD-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053087198 1348910591 /nfs/dbraw/zinc/91/05/91/1348910591.db2.gz IWIDLJOBNUAALO-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053087198 1348910592 /nfs/dbraw/zinc/91/05/92/1348910592.db2.gz IWIDLJOBNUAALO-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053087198 1348910595 /nfs/dbraw/zinc/91/05/95/1348910595.db2.gz IWIDLJOBNUAALO-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001053097129 1348928605 /nfs/dbraw/zinc/92/86/05/1348928605.db2.gz CMVSZCDBEZSJMN-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001053097129 1348928608 /nfs/dbraw/zinc/92/86/08/1348928608.db2.gz CMVSZCDBEZSJMN-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001053097129 1348928610 /nfs/dbraw/zinc/92/86/10/1348928610.db2.gz CMVSZCDBEZSJMN-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001054140633 1349152623 /nfs/dbraw/zinc/15/26/23/1349152623.db2.gz RHOLMJSTFXQLOR-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001054140633 1349152625 /nfs/dbraw/zinc/15/26/25/1349152625.db2.gz RHOLMJSTFXQLOR-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCC(C)C)C2)C1 ZINC001054140633 1349152628 /nfs/dbraw/zinc/15/26/28/1349152628.db2.gz RHOLMJSTFXQLOR-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001054209491 1349210793 /nfs/dbraw/zinc/21/07/93/1349210793.db2.gz REMXKGQSMJHSEW-PZJWPPBQSA-N 2 1 349.563 3.221 20 0 EGADMP Cc1c(Br)ccc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1C ZINC001233220109 1376589973 /nfs/dbraw/zinc/58/99/73/1376589973.db2.gz KCAHUMCUZSKHOC-CVEARBPZSA-N 2 1 337.305 3.449 20 0 EGADMP Cc1c(Br)ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1C ZINC001233220109 1376589977 /nfs/dbraw/zinc/58/99/77/1376589977.db2.gz KCAHUMCUZSKHOC-CVEARBPZSA-N 2 1 337.305 3.449 20 0 EGADMP Cc1c(Br)ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1C ZINC001233220109 1376589978 /nfs/dbraw/zinc/58/99/78/1376589978.db2.gz KCAHUMCUZSKHOC-CVEARBPZSA-N 2 1 337.305 3.449 20 0 EGADMP Cc1c(Br)ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1C ZINC001233220109 1376589982 /nfs/dbraw/zinc/58/99/82/1376589982.db2.gz KCAHUMCUZSKHOC-CVEARBPZSA-N 2 1 337.305 3.449 20 0 EGADMP Cc1c(Br)ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1C ZINC001233220109 1376589988 /nfs/dbraw/zinc/58/99/88/1376589988.db2.gz KCAHUMCUZSKHOC-CVEARBPZSA-N 2 1 337.305 3.449 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCCC3)C[C@H]2C)C1 ZINC001080310788 1357568761 /nfs/dbraw/zinc/56/87/61/1357568761.db2.gz FAUSNAYLPBOCOH-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CCCC3)C[C@H]2C)C1 ZINC001080310788 1357568765 /nfs/dbraw/zinc/56/87/65/1357568765.db2.gz FAUSNAYLPBOCOH-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CCCC3)C[C@H]2C)C1 ZINC001080310788 1357568768 /nfs/dbraw/zinc/56/87/68/1357568768.db2.gz FAUSNAYLPBOCOH-YZGWKJHDSA-N 2 1 349.563 3.125 20 0 EGADMP CN(C[C@@H]1CC[N@H+]1CC1CCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984439 1358937184 /nfs/dbraw/zinc/93/71/84/1358937184.db2.gz DCOBIQJPUHJEQQ-FQEVSTJZSA-N 2 1 343.515 3.085 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CCCC1CCCC1 ZINC001088816998 1360062996 /nfs/dbraw/zinc/06/29/96/1360062996.db2.gz XOWIAHZCNYBUMD-HNJRGHQBSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CCCC1CCCC1 ZINC001088816998 1360062999 /nfs/dbraw/zinc/06/29/99/1360062999.db2.gz XOWIAHZCNYBUMD-HNJRGHQBSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CCCC1CCCC1 ZINC001088816998 1360063003 /nfs/dbraw/zinc/06/30/03/1360063003.db2.gz XOWIAHZCNYBUMD-HNJRGHQBSA-N 2 1 349.563 3.266 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001071651026 1354826672 /nfs/dbraw/zinc/82/66/72/1354826672.db2.gz FUEOCDHIGVGSOY-YJBOKZPZSA-N 2 1 342.487 3.353 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[N@H+]1CCC(C)(C)C ZINC001071739323 1354888636 /nfs/dbraw/zinc/88/86/36/1354888636.db2.gz QVNIWEQKLTUWLC-DLBZAZTESA-N 2 1 337.552 3.266 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001071919814 1355024427 /nfs/dbraw/zinc/02/44/27/1355024427.db2.gz IGADZJKBZJQZQW-PKOBYXMFSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[N@H+]1CCCC1CCCC1 ZINC001071996256 1355065161 /nfs/dbraw/zinc/06/51/61/1355065161.db2.gz PQDVTAZJCKIXRP-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001071998198 1355066982 /nfs/dbraw/zinc/06/69/82/1355066982.db2.gz HHYRGHXNVDHLKX-WBVHZDCISA-N 2 1 346.519 3.167 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001071998198 1355066985 /nfs/dbraw/zinc/06/69/85/1355066985.db2.gz HHYRGHXNVDHLKX-WBVHZDCISA-N 2 1 346.519 3.167 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CCC1CCCCC1 ZINC001072081868 1355119253 /nfs/dbraw/zinc/11/92/53/1355119253.db2.gz UDOVMHJPHLWFLD-IEBWSBKVSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@@H+]1C/C=C\Cl ZINC001072096408 1355127397 /nfs/dbraw/zinc/12/73/97/1355127397.db2.gz ZABLLVXCYZGFPG-OTMVFKQPSA-N 2 1 349.906 3.083 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@H+]1C/C=C\Cl ZINC001072096408 1355127399 /nfs/dbraw/zinc/12/73/99/1355127399.db2.gz ZABLLVXCYZGFPG-OTMVFKQPSA-N 2 1 349.906 3.083 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@@H+]1C/C=C/Cl ZINC001072099723 1355129881 /nfs/dbraw/zinc/12/98/81/1355129881.db2.gz WQTWRFPQWXFCPA-HYUXHOLKSA-N 2 1 349.906 3.083 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@H+]1C/C=C/Cl ZINC001072099723 1355129883 /nfs/dbraw/zinc/12/98/83/1355129883.db2.gz WQTWRFPQWXFCPA-HYUXHOLKSA-N 2 1 349.906 3.083 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC2CCCC2)CC[N@H+]1C ZINC001074056008 1356058911 /nfs/dbraw/zinc/05/89/11/1356058911.db2.gz USPVBKAWWKDRIS-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC2CCCC2)CC[NH+]1C ZINC001074056008 1356058915 /nfs/dbraw/zinc/05/89/15/1356058915.db2.gz USPVBKAWWKDRIS-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC2CCCC2)CC[NH+]1C ZINC001074056008 1356058916 /nfs/dbraw/zinc/05/89/16/1356058916.db2.gz USPVBKAWWKDRIS-YSIASYRMSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cccc(C)c1)[NH+](C)C ZINC001074064682 1356062387 /nfs/dbraw/zinc/06/23/87/1356062387.db2.gz IFDIDAOOKUWSFA-UXHICEINSA-N 2 1 345.531 3.148 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001074811799 1356250572 /nfs/dbraw/zinc/25/05/72/1356250572.db2.gz GKQDSVKESBFONY-ZULIPRJHSA-N 2 1 343.515 3.119 20 0 EGADMP CC(C)(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001183256161 1387286590 /nfs/dbraw/zinc/28/65/90/1387286590.db2.gz UAPCUAIRQYOVHX-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001099120814 1363635265 /nfs/dbraw/zinc/63/52/65/1363635265.db2.gz GFPSQJONONRSOD-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001099120814 1363635268 /nfs/dbraw/zinc/63/52/68/1363635268.db2.gz GFPSQJONONRSOD-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001099120814 1363635270 /nfs/dbraw/zinc/63/52/70/1363635270.db2.gz GFPSQJONONRSOD-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001099120814 1363635272 /nfs/dbraw/zinc/63/52/72/1363635272.db2.gz GFPSQJONONRSOD-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001082612279 1358066180 /nfs/dbraw/zinc/06/61/80/1358066180.db2.gz FKVQUFOOIUHJKU-MISYRCLQSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001082783292 1358092436 /nfs/dbraw/zinc/09/24/36/1358092436.db2.gz OXOJLBNCOSXONV-MISYRCLQSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001183517309 1387316021 /nfs/dbraw/zinc/31/60/21/1387316021.db2.gz ZTKXHPVXBQOYBY-NLWGTHIKSA-N 2 1 339.568 3.083 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCC(C)C)[C@H]3C2)C1 ZINC001085014348 1358367702 /nfs/dbraw/zinc/36/77/02/1358367702.db2.gz XILSIACESOPCOW-AQNXPRMDSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCC(C)C)[C@H]3C2)C1 ZINC001085014348 1358367704 /nfs/dbraw/zinc/36/77/04/1358367704.db2.gz XILSIACESOPCOW-AQNXPRMDSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCC(C)C)[C@H]3C2)C1 ZINC001085014348 1358367705 /nfs/dbraw/zinc/36/77/05/1358367705.db2.gz XILSIACESOPCOW-AQNXPRMDSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCCC3CCCC3)[C@H]2C1)[NH+](C)C ZINC001085035228 1358372670 /nfs/dbraw/zinc/37/26/70/1358372670.db2.gz MMKJRYGXPFBDAI-AABGKKOBSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CC(C)(C)C2)CC[N@H+]1C ZINC001085310816 1358462101 /nfs/dbraw/zinc/46/21/01/1358462101.db2.gz QVBVYDVFODROBM-GDAAHCPNSA-N 2 1 349.563 3.170 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCCCC2)C1 ZINC001085332523 1358470430 /nfs/dbraw/zinc/47/04/30/1358470430.db2.gz BEPWXVQQULKCAS-MISYRCLQSA-N 2 1 349.563 3.316 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085639554 1358653295 /nfs/dbraw/zinc/65/32/95/1358653295.db2.gz RDHRTPSZRQEFQV-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639554 1358653297 /nfs/dbraw/zinc/65/32/97/1358653297.db2.gz RDHRTPSZRQEFQV-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085639554 1358653299 /nfs/dbraw/zinc/65/32/99/1358653299.db2.gz RDHRTPSZRQEFQV-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CN(C[C@H]1CC[N@H+]1CC1CCC(C)(C)CC1)C(=O)[C@H]1CCCC[NH+]1C ZINC001085675069 1358679167 /nfs/dbraw/zinc/67/91/67/1358679167.db2.gz KFADEHCYEOPNJJ-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C[C@H]1CC[NH+]1CC1CCC(C)(C)CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001085675069 1358679171 /nfs/dbraw/zinc/67/91/71/1358679171.db2.gz KFADEHCYEOPNJJ-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CN(C[C@H]1CC[NH+]1CC1CCC(C)(C)CC1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001085675069 1358679174 /nfs/dbraw/zinc/67/91/74/1358679174.db2.gz KFADEHCYEOPNJJ-RTBURBONSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCCC1 ZINC001085688853 1358689350 /nfs/dbraw/zinc/68/93/50/1358689350.db2.gz STCJXEOOWYEOGF-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001085688853 1358689358 /nfs/dbraw/zinc/68/93/58/1358689358.db2.gz STCJXEOOWYEOGF-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001085688853 1358689363 /nfs/dbraw/zinc/68/93/63/1358689363.db2.gz STCJXEOOWYEOGF-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085725312 1358714137 /nfs/dbraw/zinc/71/41/37/1358714137.db2.gz SEKYINFNWCMEBH-UZLBHIALSA-N 2 1 348.450 3.242 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085798802 1358773552 /nfs/dbraw/zinc/77/35/52/1358773552.db2.gz AYJLLUNHZYXACQ-VQTJNVASSA-N 2 1 343.515 3.012 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901328 1358858934 /nfs/dbraw/zinc/85/89/34/1358858934.db2.gz CGIIVDAQQCBWMA-LJQANCHMSA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986430 1358938799 /nfs/dbraw/zinc/93/87/99/1358938799.db2.gz DKSZCZCIKIECKX-LJQANCHMSA-N 2 1 345.531 3.331 20 0 EGADMP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001086119337 1359001322 /nfs/dbraw/zinc/00/13/22/1359001322.db2.gz KMEFKFOFDRQYFF-IYWMVGAKSA-N 2 1 347.547 3.068 20 0 EGADMP O=C(NC[C@H]1CC[C@@H]([NH2+]CC2CC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001086784669 1359201049 /nfs/dbraw/zinc/20/10/49/1359201049.db2.gz JMHQCQCLJXLZPV-NSHGMRRFSA-N 2 1 347.547 3.068 20 0 EGADMP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086784816 1359201116 /nfs/dbraw/zinc/20/11/16/1359201116.db2.gz VJACXMAIJBMBPX-YQVWRLOYSA-N 2 1 335.536 3.068 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC2(C[C@H]1C)CC[NH+](CC)CC2 ZINC001086925368 1359251002 /nfs/dbraw/zinc/25/10/02/1359251002.db2.gz VFUKVXORKGTBIG-IAGOWNOFSA-N 2 1 346.519 3.120 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C(C)(C)[C@H]21 ZINC001087306463 1359392426 /nfs/dbraw/zinc/39/24/26/1359392426.db2.gz JFFUIGNGYSZBDO-NXHRZFHOSA-N 2 1 346.519 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C(C)C)C(C)(C)[C@H]21 ZINC001087306463 1359392430 /nfs/dbraw/zinc/39/24/30/1359392430.db2.gz JFFUIGNGYSZBDO-NXHRZFHOSA-N 2 1 346.519 3.022 20 0 EGADMP CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC001087306460 1359393284 /nfs/dbraw/zinc/39/32/84/1359393284.db2.gz JFFUIGNGYSZBDO-BPQIPLTHSA-N 2 1 346.519 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC001087306460 1359393286 /nfs/dbraw/zinc/39/32/86/1359393286.db2.gz JFFUIGNGYSZBDO-BPQIPLTHSA-N 2 1 346.519 3.022 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087573160 1359538138 /nfs/dbraw/zinc/53/81/38/1359538138.db2.gz WGRUIDUKGJQKHV-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573160 1359538140 /nfs/dbraw/zinc/53/81/40/1359538140.db2.gz WGRUIDUKGJQKHV-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573160 1359538142 /nfs/dbraw/zinc/53/81/42/1359538142.db2.gz WGRUIDUKGJQKHV-YZGWKJHDSA-N 2 1 349.563 3.410 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1CC1CC1 ZINC001087573126 1359538195 /nfs/dbraw/zinc/53/81/95/1359538195.db2.gz UTNKENGNRYSDTH-YSIASYRMSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1CC1CC1 ZINC001087573126 1359538197 /nfs/dbraw/zinc/53/81/97/1359538197.db2.gz UTNKENGNRYSDTH-YSIASYRMSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1CC1CC1 ZINC001087573126 1359538200 /nfs/dbraw/zinc/53/82/00/1359538200.db2.gz UTNKENGNRYSDTH-YSIASYRMSA-N 2 1 347.547 3.020 20 0 EGADMP CCCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1CC ZINC001087634870 1359565539 /nfs/dbraw/zinc/56/55/39/1359565539.db2.gz YSKXBINGSQFAPD-ZWKOTPCHSA-N 2 1 328.460 3.026 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671488 1359582747 /nfs/dbraw/zinc/58/27/47/1359582747.db2.gz DSEVXEHXLSORNG-XUVXKRRUSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1CC(C)C ZINC001087699458 1359599135 /nfs/dbraw/zinc/59/91/35/1359599135.db2.gz VOPQMIGDAMZJOI-XUVXKRRUSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1CC(C)C ZINC001087699458 1359599140 /nfs/dbraw/zinc/59/91/40/1359599140.db2.gz VOPQMIGDAMZJOI-XUVXKRRUSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1CC(C)C ZINC001087699458 1359599143 /nfs/dbraw/zinc/59/91/43/1359599143.db2.gz VOPQMIGDAMZJOI-XUVXKRRUSA-N 2 1 349.563 3.409 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCC1=CCCCC1 ZINC001087711904 1359603890 /nfs/dbraw/zinc/60/38/90/1359603890.db2.gz DNDOUYDINGRTHI-VQTJNVASSA-N 2 1 347.547 3.188 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CC1CC(C)(C)C1 ZINC001087774049 1359636751 /nfs/dbraw/zinc/63/67/51/1359636751.db2.gz WEMJTKBVUCUNGC-RBUKOAKNSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[N@H+]1CCC(C)C ZINC001087790928 1359647445 /nfs/dbraw/zinc/64/74/45/1359647445.db2.gz MXUMBHPJWGHGBI-VQTJNVASSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]2C1 ZINC001088021163 1359726499 /nfs/dbraw/zinc/72/64/99/1359726499.db2.gz XGQWRHJTRRJPAL-MSOLQXFVSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]2C1 ZINC001088021163 1359726504 /nfs/dbraw/zinc/72/65/04/1359726504.db2.gz XGQWRHJTRRJPAL-MSOLQXFVSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]2C1 ZINC001088021163 1359726507 /nfs/dbraw/zinc/72/65/07/1359726507.db2.gz XGQWRHJTRRJPAL-MSOLQXFVSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]C(C)C)C1 ZINC001088411909 1359883410 /nfs/dbraw/zinc/88/34/10/1359883410.db2.gz SVCRQAUYFDZFEV-RBUKOAKNSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC)C1 ZINC001088411905 1359883431 /nfs/dbraw/zinc/88/34/31/1359883431.db2.gz SUYNBKIQBAETJE-RBUKOAKNSA-N 2 1 337.552 3.412 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC)C1 ZINC001088411903 1359883769 /nfs/dbraw/zinc/88/37/69/1359883769.db2.gz SUYNBKIQBAETJE-MOPGFXCFSA-N 2 1 337.552 3.412 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCCCC[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001088413604 1359884625 /nfs/dbraw/zinc/88/46/25/1359884625.db2.gz JXWXTUWVPHQXEU-WOJBJXKFSA-N 2 1 347.547 3.189 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001088424808 1359893586 /nfs/dbraw/zinc/89/35/86/1359893586.db2.gz GKQWQDWIRUNCIO-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCCCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001088427078 1359895152 /nfs/dbraw/zinc/89/51/52/1359895152.db2.gz MICCUHHSJQEEJG-LJQANCHMSA-N 2 1 346.519 3.133 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1CC1CCC1 ZINC001088569563 1359977075 /nfs/dbraw/zinc/97/70/75/1359977075.db2.gz YXJMKQLVEWFOFQ-KPFFTGBYSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1CC1CCC1 ZINC001088569563 1359977077 /nfs/dbraw/zinc/97/70/77/1359977077.db2.gz YXJMKQLVEWFOFQ-KPFFTGBYSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1CC1CCC1 ZINC001088569563 1359977079 /nfs/dbraw/zinc/97/70/79/1359977079.db2.gz YXJMKQLVEWFOFQ-KPFFTGBYSA-N 2 1 347.547 3.020 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)[C@@H]1C ZINC001088605592 1359988676 /nfs/dbraw/zinc/98/86/76/1359988676.db2.gz XPCJISHXWWLHFQ-HOJAQTOUSA-N 2 1 347.547 3.330 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)[C@@H]1C ZINC001088605592 1359988679 /nfs/dbraw/zinc/98/86/79/1359988679.db2.gz XPCJISHXWWLHFQ-HOJAQTOUSA-N 2 1 347.547 3.330 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)[C@@H]1C ZINC001088605592 1359988683 /nfs/dbraw/zinc/98/86/83/1359988683.db2.gz XPCJISHXWWLHFQ-HOJAQTOUSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CC2CCCC2)[C@@H]1C ZINC001088621515 1359994007 /nfs/dbraw/zinc/99/40/07/1359994007.db2.gz HJRJYEDBCNDMAJ-QRQLOZEOSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@@H]1C ZINC001088621515 1359994016 /nfs/dbraw/zinc/99/40/16/1359994016.db2.gz HJRJYEDBCNDMAJ-QRQLOZEOSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H]1C ZINC001088621515 1359994019 /nfs/dbraw/zinc/99/40/19/1359994019.db2.gz HJRJYEDBCNDMAJ-QRQLOZEOSA-N 2 1 335.536 3.019 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088621422 1359994117 /nfs/dbraw/zinc/99/41/17/1359994117.db2.gz DAOKSPCXKSKDOQ-QRQLOZEOSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088621422 1359994122 /nfs/dbraw/zinc/99/41/22/1359994122.db2.gz DAOKSPCXKSKDOQ-QRQLOZEOSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@@H]1C ZINC001088621422 1359994125 /nfs/dbraw/zinc/99/41/25/1359994125.db2.gz DAOKSPCXKSKDOQ-QRQLOZEOSA-N 2 1 349.563 3.265 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001088692871 1360014089 /nfs/dbraw/zinc/01/40/89/1360014089.db2.gz BBNUSQVFDMSFGF-NZSAHSFTSA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H]1C ZINC001088692871 1360014090 /nfs/dbraw/zinc/01/40/90/1360014090.db2.gz BBNUSQVFDMSFGF-NZSAHSFTSA-N 2 1 337.552 3.122 20 0 EGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H]1C ZINC001088692871 1360014093 /nfs/dbraw/zinc/01/40/93/1360014093.db2.gz BBNUSQVFDMSFGF-NZSAHSFTSA-N 2 1 337.552 3.122 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1CCC1CCCC1 ZINC001088708284 1360016890 /nfs/dbraw/zinc/01/68/90/1360016890.db2.gz NUYZTUNCOYMPPB-BEFAXECRSA-N 2 1 340.471 3.107 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1CCCC1CCC1 ZINC001088748423 1360029363 /nfs/dbraw/zinc/02/93/63/1360029363.db2.gz DWOBCCMYUJKZEA-BEFAXECRSA-N 2 1 340.471 3.107 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CC2)[C@@H]1C ZINC001088971018 1360120099 /nfs/dbraw/zinc/12/00/99/1360120099.db2.gz XYTVUUVXIVGWHU-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CC2)[C@@H]1C ZINC001088971018 1360120105 /nfs/dbraw/zinc/12/01/05/1360120105.db2.gz XYTVUUVXIVGWHU-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@@H]1C ZINC001088971018 1360120107 /nfs/dbraw/zinc/12/01/07/1360120107.db2.gz XYTVUUVXIVGWHU-NZSAHSFTSA-N 2 1 335.536 3.020 20 0 EGADMP C[N@@H+](C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C)CC1CCCCCC1 ZINC001089136895 1360195576 /nfs/dbraw/zinc/19/55/76/1360195576.db2.gz OZFBYNCXSBCFNQ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C)CC1CCCCCC1 ZINC001089136895 1360195578 /nfs/dbraw/zinc/19/55/78/1360195578.db2.gz OZFBYNCXSBCFNQ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C)CC1CCCCCC1 ZINC001089136895 1360195581 /nfs/dbraw/zinc/19/55/81/1360195581.db2.gz OZFBYNCXSBCFNQ-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001089380543 1360383521 /nfs/dbraw/zinc/38/35/21/1360383521.db2.gz FJZVLLPTZFZKQV-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001089380543 1360383524 /nfs/dbraw/zinc/38/35/24/1360383524.db2.gz FJZVLLPTZFZKQV-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1 ZINC001089380543 1360383527 /nfs/dbraw/zinc/38/35/27/1360383527.db2.gz FJZVLLPTZFZKQV-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089381788 1360384311 /nfs/dbraw/zinc/38/43/11/1360384311.db2.gz NYPKTCYFLQCOFQ-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC(C)(C)C1 ZINC001089381788 1360384313 /nfs/dbraw/zinc/38/43/13/1360384313.db2.gz NYPKTCYFLQCOFQ-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1 ZINC001089381788 1360384317 /nfs/dbraw/zinc/38/43/17/1360384317.db2.gz NYPKTCYFLQCOFQ-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC=C(C)C)CC(C)(C)C2)CC[N@H+]1C ZINC001089391823 1360392406 /nfs/dbraw/zinc/39/24/06/1360392406.db2.gz PKSPKJQBJIHPPP-CEXWTWQISA-N 2 1 349.563 3.290 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CC=C(C)C)CC(C)(C)C2)CC[NH+]1C ZINC001089391823 1360392409 /nfs/dbraw/zinc/39/24/09/1360392409.db2.gz PKSPKJQBJIHPPP-CEXWTWQISA-N 2 1 349.563 3.290 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC=C(C)C)CC(C)(C)C2)CC[NH+]1C ZINC001089391823 1360392411 /nfs/dbraw/zinc/39/24/11/1360392411.db2.gz PKSPKJQBJIHPPP-CEXWTWQISA-N 2 1 349.563 3.290 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001089401813 1360401225 /nfs/dbraw/zinc/40/12/25/1360401225.db2.gz XTAZSBNFTQNBSR-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC2)CC(C)(C)C1 ZINC001089401813 1360401228 /nfs/dbraw/zinc/40/12/28/1360401228.db2.gz XTAZSBNFTQNBSR-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1 ZINC001089401813 1360401231 /nfs/dbraw/zinc/40/12/31/1360401231.db2.gz XTAZSBNFTQNBSR-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC(C)(C)C1 ZINC001089446476 1360435851 /nfs/dbraw/zinc/43/58/51/1360435851.db2.gz WXPNJIGHJGPGMA-SFHVURJKSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089457559 1360444097 /nfs/dbraw/zinc/44/40/97/1360444097.db2.gz BGGVNDHEMLMTRY-GOSISDBHSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](C(C)C)CC(C)(C)C2)C1 ZINC001089473126 1360456777 /nfs/dbraw/zinc/45/67/77/1360456777.db2.gz SOCCBAPMVUZBCR-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](C(C)C)CC(C)(C)C2)C1 ZINC001089473126 1360456779 /nfs/dbraw/zinc/45/67/79/1360456779.db2.gz SOCCBAPMVUZBCR-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](C(C)C)CC(C)(C)C2)C1 ZINC001089473126 1360456781 /nfs/dbraw/zinc/45/67/81/1360456781.db2.gz SOCCBAPMVUZBCR-ROUUACIJSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089505422 1360478386 /nfs/dbraw/zinc/47/83/86/1360478386.db2.gz HJYOJSLNQPXNOS-KRWDZBQOSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089505422 1360478388 /nfs/dbraw/zinc/47/83/88/1360478388.db2.gz HJYOJSLNQPXNOS-KRWDZBQOSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001089509054 1360480785 /nfs/dbraw/zinc/48/07/85/1360480785.db2.gz DIJMEVOYCFRENP-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(C)C)CC(C)(C)C1 ZINC001089565388 1360512473 /nfs/dbraw/zinc/51/24/73/1360512473.db2.gz QNZUUQQMNNXSCM-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(C)C)CC(C)(C)C1 ZINC001089565388 1360512476 /nfs/dbraw/zinc/51/24/76/1360512476.db2.gz QNZUUQQMNNXSCM-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(C)C)CC(C)(C)C1 ZINC001089565388 1360512479 /nfs/dbraw/zinc/51/24/79/1360512479.db2.gz QNZUUQQMNNXSCM-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001089641880 1360554327 /nfs/dbraw/zinc/55/43/27/1360554327.db2.gz WCTQJIYNCMNCBM-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001089641880 1360554328 /nfs/dbraw/zinc/55/43/28/1360554328.db2.gz WCTQJIYNCMNCBM-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001089641880 1360554330 /nfs/dbraw/zinc/55/43/30/1360554330.db2.gz WCTQJIYNCMNCBM-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001089657563 1360569220 /nfs/dbraw/zinc/56/92/20/1360569220.db2.gz DUNBLAVSLUCANQ-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC1CCCC1 ZINC001089657563 1360569221 /nfs/dbraw/zinc/56/92/21/1360569221.db2.gz DUNBLAVSLUCANQ-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1 ZINC001089657563 1360569222 /nfs/dbraw/zinc/56/92/22/1360569222.db2.gz DUNBLAVSLUCANQ-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCCC1 ZINC001089657563 1360569223 /nfs/dbraw/zinc/56/92/23/1360569223.db2.gz DUNBLAVSLUCANQ-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089705773 1360608418 /nfs/dbraw/zinc/60/84/18/1360608418.db2.gz JJVQDGIEBJPAFZ-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001089705773 1360608420 /nfs/dbraw/zinc/60/84/20/1360608420.db2.gz JJVQDGIEBJPAFZ-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001089705773 1360608422 /nfs/dbraw/zinc/60/84/22/1360608422.db2.gz JJVQDGIEBJPAFZ-MSOLQXFVSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001089707536 1360611177 /nfs/dbraw/zinc/61/11/77/1360611177.db2.gz MNMBWCNUICOVHG-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001089707536 1360611181 /nfs/dbraw/zinc/61/11/81/1360611181.db2.gz MNMBWCNUICOVHG-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089734455 1360639269 /nfs/dbraw/zinc/63/92/69/1360639269.db2.gz QTFLEPNGFAHSFN-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001089734455 1360639271 /nfs/dbraw/zinc/63/92/71/1360639271.db2.gz QTFLEPNGFAHSFN-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001089734455 1360639274 /nfs/dbraw/zinc/63/92/74/1360639274.db2.gz QTFLEPNGFAHSFN-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001323814002 1387466141 /nfs/dbraw/zinc/46/61/41/1387466141.db2.gz WBSIXJNJWBXKLK-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP O=C(NCC1CC([NH2+]CC2CCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001091068434 1360988759 /nfs/dbraw/zinc/98/87/59/1360988759.db2.gz NPRFEDJDHWQZON-AFMYVXGZSA-N 2 1 347.547 3.068 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091666852 1361175691 /nfs/dbraw/zinc/17/56/91/1361175691.db2.gz INZPWWPXCZNUDH-SBHAEUEKSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091666852 1361175697 /nfs/dbraw/zinc/17/56/97/1361175697.db2.gz INZPWWPXCZNUDH-SBHAEUEKSA-N 2 1 349.563 3.076 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091666852 1361175701 /nfs/dbraw/zinc/17/57/01/1361175701.db2.gz INZPWWPXCZNUDH-SBHAEUEKSA-N 2 1 349.563 3.076 20 0 EGADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC001323991720 1387505517 /nfs/dbraw/zinc/50/55/17/1387505517.db2.gz SDICQYSILUJFNR-HKUYNNGSSA-N 2 1 337.458 3.396 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC2CCC2)C[C@H]1C ZINC001093120761 1361533002 /nfs/dbraw/zinc/53/30/02/1361533002.db2.gz MNUUTBDVWRKWPF-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001093120761 1361533007 /nfs/dbraw/zinc/53/30/07/1361533007.db2.gz MNUUTBDVWRKWPF-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001093120761 1361533009 /nfs/dbraw/zinc/53/30/09/1361533009.db2.gz MNUUTBDVWRKWPF-MISYRCLQSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001324083673 1387534513 /nfs/dbraw/zinc/53/45/13/1387534513.db2.gz XIQBEQPWLGHHBN-MJGOQNOKSA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CC1)CC2 ZINC001094529407 1361845799 /nfs/dbraw/zinc/84/57/99/1361845799.db2.gz ROXYEKDSFKOGSQ-SFHLNBCPSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2 ZINC001094529407 1361845803 /nfs/dbraw/zinc/84/58/03/1361845803.db2.gz ROXYEKDSFKOGSQ-SFHLNBCPSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2 ZINC001094529407 1361845806 /nfs/dbraw/zinc/84/58/06/1361845806.db2.gz ROXYEKDSFKOGSQ-SFHLNBCPSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C[NH2+]CC1CC1 ZINC001184891255 1387556161 /nfs/dbraw/zinc/55/61/61/1387556161.db2.gz CRBLDCKDTUFWSH-IEBWSBKVSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001095767626 1362223822 /nfs/dbraw/zinc/22/38/22/1362223822.db2.gz PHOTVYVWCGSUFT-NJAFHUGGSA-N 2 1 340.471 3.106 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2CCCCC2)C1 ZINC001096015346 1362335588 /nfs/dbraw/zinc/33/55/88/1362335588.db2.gz CKWYFZJRLPZSBU-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCC2)C1 ZINC001096015346 1362335593 /nfs/dbraw/zinc/33/55/93/1362335593.db2.gz CKWYFZJRLPZSBU-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCC2)C1 ZINC001096015346 1362335599 /nfs/dbraw/zinc/33/55/99/1362335599.db2.gz CKWYFZJRLPZSBU-QYZOEREBSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001097971840 1363184200 /nfs/dbraw/zinc/18/42/00/1363184200.db2.gz JRUOYHQIZLJPOX-MANSERQUSA-N 2 1 349.563 3.409 20 0 EGADMP CCCN(CCC[NH+](C)C)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC001324422525 1387619670 /nfs/dbraw/zinc/61/96/70/1387619670.db2.gz XSXFZQOCNCILHV-KRWDZBQOSA-N 2 1 339.911 3.133 20 0 EGADMP CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1)C1CCCC1 ZINC001098812258 1363477498 /nfs/dbraw/zinc/47/74/98/1363477498.db2.gz AMTBFZMJEMEAHS-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCC1)C2 ZINC001098875155 1363501479 /nfs/dbraw/zinc/50/14/79/1363501479.db2.gz NECVMXBHDKJAJO-ZJOUEHCJSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCC1)C2 ZINC001098875155 1363501481 /nfs/dbraw/zinc/50/14/81/1363501481.db2.gz NECVMXBHDKJAJO-ZJOUEHCJSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCC1)C2 ZINC001098875155 1363501483 /nfs/dbraw/zinc/50/14/83/1363501483.db2.gz NECVMXBHDKJAJO-ZJOUEHCJSA-N 2 1 347.547 3.020 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCCC1)C2 ZINC001098983529 1363556408 /nfs/dbraw/zinc/55/64/08/1363556408.db2.gz LQLXFOYQMKMPSH-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCCC1)C2 ZINC001098983529 1363556411 /nfs/dbraw/zinc/55/64/11/1363556411.db2.gz LQLXFOYQMKMPSH-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCCCC1)C2 ZINC001098983529 1363556414 /nfs/dbraw/zinc/55/64/14/1363556414.db2.gz LQLXFOYQMKMPSH-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCCC1)C2 ZINC001098983529 1363556417 /nfs/dbraw/zinc/55/64/17/1363556417.db2.gz LQLXFOYQMKMPSH-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCC(C)(C)C)C3)CC1 ZINC001099062749 1363602995 /nfs/dbraw/zinc/60/29/95/1363602995.db2.gz DACSGZZKSNKGAR-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110719 1363628977 /nfs/dbraw/zinc/62/89/77/1363628977.db2.gz HJMFAJNRFWAPRM-OVKVCFKUSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099110719 1363628979 /nfs/dbraw/zinc/62/89/79/1363628979.db2.gz HJMFAJNRFWAPRM-OVKVCFKUSA-N 2 1 349.563 3.434 20 0 EGADMP CC/C=C/CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001099110719 1363628982 /nfs/dbraw/zinc/62/89/82/1363628982.db2.gz HJMFAJNRFWAPRM-OVKVCFKUSA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccccc1)[NH+](C)C ZINC001099125331 1363637802 /nfs/dbraw/zinc/63/78/02/1363637802.db2.gz DFNBKMDHNNZMQQ-RBUKOAKNSA-N 2 1 345.531 3.134 20 0 EGADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130295 1363642503 /nfs/dbraw/zinc/64/25/03/1363642503.db2.gz KFEXQKBDVFEJJH-INIZCTEOSA-N 2 1 325.541 3.124 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@H+](C)CC ZINC001099130295 1363642505 /nfs/dbraw/zinc/64/25/05/1363642505.db2.gz KFEXQKBDVFEJJH-INIZCTEOSA-N 2 1 325.541 3.124 20 0 EGADMP CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001099130295 1363642507 /nfs/dbraw/zinc/64/25/07/1363642507.db2.gz KFEXQKBDVFEJJH-INIZCTEOSA-N 2 1 325.541 3.124 20 0 EGADMP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099144361 1363652573 /nfs/dbraw/zinc/65/25/73/1363652573.db2.gz GBAXYQINPCHCPO-SFHVURJKSA-N 2 1 348.535 3.235 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099144361 1363652576 /nfs/dbraw/zinc/65/25/76/1363652576.db2.gz GBAXYQINPCHCPO-SFHVURJKSA-N 2 1 348.535 3.235 20 0 EGADMP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099166712 1363667335 /nfs/dbraw/zinc/66/73/35/1363667335.db2.gz ZDYQWUBUYXVPLA-GOSISDBHSA-N 2 1 349.563 3.434 20 0 EGADMP CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001099178493 1363674714 /nfs/dbraw/zinc/67/47/14/1363674714.db2.gz DQUSUENCOIZEPU-JXFKEZNVSA-N 2 1 347.503 3.116 20 0 EGADMP CC(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225437 1363701375 /nfs/dbraw/zinc/70/13/75/1363701375.db2.gz VFMRNLLMFVDRSM-ZWKOTPCHSA-N 2 1 339.568 3.226 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099230045 1363703183 /nfs/dbraw/zinc/70/31/83/1363703183.db2.gz PWUNYZXZHFJBCE-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001099319577 1363746878 /nfs/dbraw/zinc/74/68/78/1363746878.db2.gz CDCPPFZOWLFDAT-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001099319577 1363746882 /nfs/dbraw/zinc/74/68/82/1363746882.db2.gz CDCPPFZOWLFDAT-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001099319577 1363746873 /nfs/dbraw/zinc/74/68/73/1363746873.db2.gz CDCPPFZOWLFDAT-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1C[C@H](C)CC ZINC001099321423 1363748963 /nfs/dbraw/zinc/74/89/63/1363748963.db2.gz WNDOQACZFNKMEG-MSOLQXFVSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1C[C@H](C)CC ZINC001099321423 1363748965 /nfs/dbraw/zinc/74/89/65/1363748965.db2.gz WNDOQACZFNKMEG-MSOLQXFVSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1C[C@H](C)CC ZINC001099321423 1363748969 /nfs/dbraw/zinc/74/89/69/1363748969.db2.gz WNDOQACZFNKMEG-MSOLQXFVSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1C[C@H](C)CC ZINC001099321424 1363749238 /nfs/dbraw/zinc/74/92/38/1363749238.db2.gz WNDOQACZFNKMEG-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1C[C@H](C)CC ZINC001099321424 1363749241 /nfs/dbraw/zinc/74/92/41/1363749241.db2.gz WNDOQACZFNKMEG-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1C[C@H](C)CC ZINC001099321424 1363749242 /nfs/dbraw/zinc/74/92/42/1363749242.db2.gz WNDOQACZFNKMEG-QZTJIDSGSA-N 2 1 339.568 3.371 20 0 EGADMP CCC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339991 1363759394 /nfs/dbraw/zinc/75/93/94/1363759394.db2.gz NHTFNFRFPGMOPA-GHOSXJJBSA-N 2 1 349.563 3.435 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC1)[NH+]1CCCC1 ZINC001099349016 1363765651 /nfs/dbraw/zinc/76/56/51/1363765651.db2.gz NHBZJBHSCZBMOW-RBUKOAKNSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001099372475 1363777548 /nfs/dbraw/zinc/77/75/48/1363777548.db2.gz NUFKHJVUCJZQHF-GOSISDBHSA-N 2 1 337.552 3.269 20 0 EGADMP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185224781 1387656313 /nfs/dbraw/zinc/65/63/13/1387656313.db2.gz HPRLWSSDLHCMSI-ZWKOTPCHSA-N 2 1 348.535 3.127 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001100403027 1364103583 /nfs/dbraw/zinc/10/35/83/1364103583.db2.gz BKGBZMKIHFDPRD-OYCKCEAOSA-N 2 1 349.563 3.195 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1 ZINC001100419177 1364108567 /nfs/dbraw/zinc/10/85/67/1364108567.db2.gz OUDBGWDLGBHWIU-ABHNRTSZSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCCC2CCC2)C1 ZINC001100471131 1364126656 /nfs/dbraw/zinc/12/66/56/1364126656.db2.gz QBZUKGXEYNNLRQ-SOAGJPPSSA-N 2 1 349.563 3.172 20 0 EGADMP CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001100470990 1364126887 /nfs/dbraw/zinc/12/68/87/1364126887.db2.gz KHOKTUKSRMSILR-CTWPCTMYSA-N 2 1 337.552 3.172 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC001101035896 1364383356 /nfs/dbraw/zinc/38/33/56/1364383356.db2.gz DEIDOYMETAJUPD-UHFFFAOYSA-N 2 1 337.552 3.172 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H](C[NH2+]CCC(C)C)[C@H](C)C1 ZINC001185306769 1387677470 /nfs/dbraw/zinc/67/74/70/1387677470.db2.gz MRLBJNNIUZGJLK-MJGOQNOKSA-N 2 1 348.535 3.092 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101271605 1364493679 /nfs/dbraw/zinc/49/36/79/1364493679.db2.gz SFAFXYRCBPOJOL-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101271605 1364493682 /nfs/dbraw/zinc/49/36/82/1364493682.db2.gz SFAFXYRCBPOJOL-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)CCC[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101271605 1364493684 /nfs/dbraw/zinc/49/36/84/1364493684.db2.gz SFAFXYRCBPOJOL-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC3CCCC3)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101361702 1364528090 /nfs/dbraw/zinc/52/80/90/1364528090.db2.gz CFJRRYOACMPFTM-DYXWJJEUSA-N 2 1 349.563 3.077 20 0 EGADMP CCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001101381214 1364538533 /nfs/dbraw/zinc/53/85/33/1364538533.db2.gz GMIAWCPHJJPLHF-ZVDOUQERSA-N 2 1 349.563 3.221 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](C)C1 ZINC001102264690 1364976455 /nfs/dbraw/zinc/97/64/55/1364976455.db2.gz WAHKQQADKLCZDU-AHSYYPKJSA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001102264690 1364976457 /nfs/dbraw/zinc/97/64/57/1364976457.db2.gz WAHKQQADKLCZDU-AHSYYPKJSA-N 2 1 349.563 3.149 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001102264690 1364976462 /nfs/dbraw/zinc/97/64/62/1364976462.db2.gz WAHKQQADKLCZDU-AHSYYPKJSA-N 2 1 349.563 3.149 20 0 EGADMP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102276601 1364981157 /nfs/dbraw/zinc/98/11/57/1364981157.db2.gz RJZHUWLTDMODKE-FYHBMDRXSA-N 2 1 349.563 3.147 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102276601 1364981158 /nfs/dbraw/zinc/98/11/58/1364981158.db2.gz RJZHUWLTDMODKE-FYHBMDRXSA-N 2 1 349.563 3.147 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102276601 1364981162 /nfs/dbraw/zinc/98/11/62/1364981162.db2.gz RJZHUWLTDMODKE-FYHBMDRXSA-N 2 1 349.563 3.147 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC001324640989 1387714037 /nfs/dbraw/zinc/71/40/37/1387714037.db2.gz HJNQFUUNOXKMKD-JYNAJPCDSA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C)[NH+](CC)CC ZINC001102357854 1365021122 /nfs/dbraw/zinc/02/11/22/1365021122.db2.gz LZZRPAUMWSIURR-GUDVDZBRSA-N 2 1 339.568 3.227 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001102583148 1365124200 /nfs/dbraw/zinc/12/42/00/1365124200.db2.gz XPDHSIZWUMSFLW-UYAOXDASSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001324669088 1387725245 /nfs/dbraw/zinc/72/52/45/1387725245.db2.gz LAGFYDDSJJAUEY-FQEVSTJZSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001324669088 1387725247 /nfs/dbraw/zinc/72/52/47/1387725247.db2.gz LAGFYDDSJJAUEY-FQEVSTJZSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001324669088 1387725251 /nfs/dbraw/zinc/72/52/51/1387725251.db2.gz LAGFYDDSJJAUEY-FQEVSTJZSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001103103301 1365381895 /nfs/dbraw/zinc/38/18/95/1365381895.db2.gz CGCGIOKTLSDZEP-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001103103721 1365381849 /nfs/dbraw/zinc/38/18/49/1365381849.db2.gz WDXBRHFKCZRLFE-QFTWQFLFSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001103103721 1365381850 /nfs/dbraw/zinc/38/18/50/1365381850.db2.gz WDXBRHFKCZRLFE-QFTWQFLFSA-N 2 1 349.563 3.291 20 0 EGADMP CC/C=C\CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001103103721 1365381853 /nfs/dbraw/zinc/38/18/53/1365381853.db2.gz WDXBRHFKCZRLFE-QFTWQFLFSA-N 2 1 349.563 3.291 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001103103301 1365381889 /nfs/dbraw/zinc/38/18/89/1365381889.db2.gz CGCGIOKTLSDZEP-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001103103301 1365381893 /nfs/dbraw/zinc/38/18/93/1365381893.db2.gz CGCGIOKTLSDZEP-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001103309486 1365486275 /nfs/dbraw/zinc/48/62/75/1365486275.db2.gz YZXAPDNJUFOREO-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)[C@@H](C)C1 ZINC001185548156 1387745261 /nfs/dbraw/zinc/74/52/61/1387745261.db2.gz KJFJVBIKJLURMW-ICSRJNTNSA-N 2 1 349.563 3.293 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378894 1365525491 /nfs/dbraw/zinc/52/54/91/1365525491.db2.gz PTQAQUOLGMMGEK-QZTJIDSGSA-N 2 1 339.568 3.229 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103444957 1365564383 /nfs/dbraw/zinc/56/43/83/1365564383.db2.gz RISFRHLXALOYCJ-PWHNWJGYSA-N 2 1 337.552 3.147 20 0 EGADMP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001103534061 1365618554 /nfs/dbraw/zinc/61/85/54/1365618554.db2.gz PVHOXXOOOSKONR-IEBWSBKVSA-N 2 1 346.519 3.012 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001103534061 1365618556 /nfs/dbraw/zinc/61/85/56/1365618556.db2.gz PVHOXXOOOSKONR-IEBWSBKVSA-N 2 1 346.519 3.012 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001185681434 1387776256 /nfs/dbraw/zinc/77/62/56/1387776256.db2.gz KKUKHTZFGMCPHB-SJLPKXTDSA-N 2 1 348.535 3.092 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C(C)C)C1)c1ccccc1 ZINC001104896849 1366214118 /nfs/dbraw/zinc/21/41/18/1366214118.db2.gz RXHDWTVKCJCOBK-MISYRCLQSA-N 2 1 345.531 3.162 20 0 EGADMP CCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001105067405 1366304503 /nfs/dbraw/zinc/30/45/03/1366304503.db2.gz ZFUPDHRMLWWVGW-QRVBRYPASA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001105395998 1366444728 /nfs/dbraw/zinc/44/47/28/1366444728.db2.gz GMAXIZTXYBBGBV-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001105395998 1366444730 /nfs/dbraw/zinc/44/47/30/1366444730.db2.gz GMAXIZTXYBBGBV-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001105395998 1366444733 /nfs/dbraw/zinc/44/47/33/1366444733.db2.gz GMAXIZTXYBBGBV-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001105396646 1366445297 /nfs/dbraw/zinc/44/52/97/1366445297.db2.gz RJEDFWQJXNUYPV-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001105396646 1366445298 /nfs/dbraw/zinc/44/52/98/1366445298.db2.gz RJEDFWQJXNUYPV-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001105396646 1366445299 /nfs/dbraw/zinc/44/52/99/1366445299.db2.gz RJEDFWQJXNUYPV-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001105536627 1366516192 /nfs/dbraw/zinc/51/61/92/1366516192.db2.gz FOIOAQDVVHSXKB-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001105541832 1366520326 /nfs/dbraw/zinc/52/03/26/1366520326.db2.gz KXJKWQNZBSWBKL-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001105542523 1366520545 /nfs/dbraw/zinc/52/05/45/1366520545.db2.gz XAMFXDJJYBYTSU-LJQANCHMSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[C@H]2CCC[N@H+]2C)CCC1 ZINC001105544871 1366521561 /nfs/dbraw/zinc/52/15/61/1366521561.db2.gz WUKYBCNARKBOEI-RTBURBONSA-N 2 1 349.563 3.412 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105556637 1366529360 /nfs/dbraw/zinc/52/93/60/1366529360.db2.gz MLBWWYTVKFPQRV-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001106248778 1366633106 /nfs/dbraw/zinc/63/31/06/1366633106.db2.gz YRWBYVZQYHZMIZ-VMASUYHGSA-N 2 1 349.563 3.005 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2ccccc2C)[C@H](C)C1 ZINC001106910564 1366830483 /nfs/dbraw/zinc/83/04/83/1366830483.db2.gz DMWOPTMXMJVACT-GUDVDZBRSA-N 2 1 345.531 3.082 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001107036874 1366862602 /nfs/dbraw/zinc/86/26/02/1366862602.db2.gz UMXUFDFDJILULA-FBYXPACISA-N 2 1 349.563 3.291 20 0 EGADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107407630 1366954747 /nfs/dbraw/zinc/95/47/47/1366954747.db2.gz DFQIOEXHAHYTPN-WIYYLYMNSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107435931 1366963017 /nfs/dbraw/zinc/96/30/17/1366963017.db2.gz GDYDWHOMVWVSRO-QKNQBKEWSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107435931 1366963020 /nfs/dbraw/zinc/96/30/20/1366963020.db2.gz GDYDWHOMVWVSRO-QKNQBKEWSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)C[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001107435931 1366963023 /nfs/dbraw/zinc/96/30/23/1366963023.db2.gz GDYDWHOMVWVSRO-QKNQBKEWSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189484419 1367033789 /nfs/dbraw/zinc/03/37/89/1367033789.db2.gz HWYOTFNJUDSJJV-XUVXKRRUSA-N 2 1 343.515 3.012 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001189621317 1367070014 /nfs/dbraw/zinc/07/00/14/1367070014.db2.gz HVHDVYTWFNKAHY-VQTJNVASSA-N 2 1 349.563 3.220 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2 ZINC001107635447 1367085303 /nfs/dbraw/zinc/08/53/03/1367085303.db2.gz QKVORVQHELXDRO-TZIWHRDSSA-N 2 1 347.547 3.023 20 0 EGADMP CC(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190174614 1367190800 /nfs/dbraw/zinc/19/08/00/1367190800.db2.gz GPVKEPXVAPCNEZ-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190174614 1367190803 /nfs/dbraw/zinc/19/08/03/1367190803.db2.gz GPVKEPXVAPCNEZ-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190174614 1367190808 /nfs/dbraw/zinc/19/08/08/1367190808.db2.gz GPVKEPXVAPCNEZ-UYAOXDASSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(C)(C)C)CCCC1 ZINC001109565360 1367201745 /nfs/dbraw/zinc/20/17/45/1367201745.db2.gz LZWSYHUYAVSBAO-SQNIBIBYSA-N 2 1 349.563 3.409 20 0 EGADMP CCc1nccn1[C@@H](C)CC(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001190248120 1367207863 /nfs/dbraw/zinc/20/78/63/1367207863.db2.gz WZUAKNCEBJVPAZ-IRXDYDNUSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001190248120 1367207868 /nfs/dbraw/zinc/20/78/68/1367207868.db2.gz WZUAKNCEBJVPAZ-IRXDYDNUSA-N 2 1 348.535 3.366 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001190248120 1367207872 /nfs/dbraw/zinc/20/78/72/1367207872.db2.gz WZUAKNCEBJVPAZ-IRXDYDNUSA-N 2 1 348.535 3.366 20 0 EGADMP CC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001109635583 1367254786 /nfs/dbraw/zinc/25/47/86/1367254786.db2.gz JNDSDZTZMQKPHI-CKZPPYNSSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001109635583 1367254794 /nfs/dbraw/zinc/25/47/94/1367254794.db2.gz JNDSDZTZMQKPHI-CKZPPYNSSA-N 2 1 347.547 3.186 20 0 EGADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001109635583 1367254798 /nfs/dbraw/zinc/25/47/98/1367254798.db2.gz JNDSDZTZMQKPHI-CKZPPYNSSA-N 2 1 347.547 3.186 20 0 EGADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCCC1)[NH+](C)C ZINC001109733383 1367295045 /nfs/dbraw/zinc/29/50/45/1367295045.db2.gz LPLLLHYPUWQJLG-FYQPLNBISA-N 2 1 349.563 3.409 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654799 1367318996 /nfs/dbraw/zinc/31/89/96/1367318996.db2.gz LOELZFSLAPKVEW-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190654799 1367319000 /nfs/dbraw/zinc/31/90/00/1367319000.db2.gz LOELZFSLAPKVEW-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190654799 1367319005 /nfs/dbraw/zinc/31/90/05/1367319005.db2.gz LOELZFSLAPKVEW-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)CCC1CCCCC1)c1ccccc1 ZINC001190708851 1367333121 /nfs/dbraw/zinc/33/31/21/1367333121.db2.gz XLYIQNCXWNQQFZ-HXUWFJFHSA-N 2 1 345.531 3.308 20 0 EGADMP CCc1ccc(C[NH+](C)[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)CC)C2)cc1 ZINC001190997265 1367399208 /nfs/dbraw/zinc/39/92/08/1367399208.db2.gz SYEDOLCYTQGJEO-LJQANCHMSA-N 2 1 345.531 3.012 20 0 EGADMP CCc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C2)cc1 ZINC001190997265 1367399211 /nfs/dbraw/zinc/39/92/11/1367399211.db2.gz SYEDOLCYTQGJEO-LJQANCHMSA-N 2 1 345.531 3.012 20 0 EGADMP CCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C2)cc1 ZINC001190997265 1367399217 /nfs/dbraw/zinc/39/92/17/1367399217.db2.gz SYEDOLCYTQGJEO-LJQANCHMSA-N 2 1 345.531 3.012 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001190997711 1367400229 /nfs/dbraw/zinc/40/02/29/1367400229.db2.gz YAFULUHGDKWDNT-MOPGFXCFSA-N 2 1 345.531 3.401 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001190997711 1367400235 /nfs/dbraw/zinc/40/02/35/1367400235.db2.gz YAFULUHGDKWDNT-MOPGFXCFSA-N 2 1 345.531 3.401 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001190997711 1367400240 /nfs/dbraw/zinc/40/02/40/1367400240.db2.gz YAFULUHGDKWDNT-MOPGFXCFSA-N 2 1 345.531 3.401 20 0 EGADMP CCc1ccccc1C[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001191018535 1367402962 /nfs/dbraw/zinc/40/29/62/1367402962.db2.gz AVAKKPMQEDFCPK-LJQANCHMSA-N 2 1 345.531 3.012 20 0 EGADMP CCc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001191018535 1367402964 /nfs/dbraw/zinc/40/29/64/1367402964.db2.gz AVAKKPMQEDFCPK-LJQANCHMSA-N 2 1 345.531 3.012 20 0 EGADMP CCc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001191018535 1367402969 /nfs/dbraw/zinc/40/29/69/1367402969.db2.gz AVAKKPMQEDFCPK-LJQANCHMSA-N 2 1 345.531 3.012 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1ccccc1C ZINC001109928393 1367408751 /nfs/dbraw/zinc/40/87/51/1367408751.db2.gz UJWWIMPYZTXBHX-JYBIWHBTSA-N 2 1 343.515 3.119 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ccccc1C ZINC001109928393 1367408754 /nfs/dbraw/zinc/40/87/54/1367408754.db2.gz UJWWIMPYZTXBHX-JYBIWHBTSA-N 2 1 343.515 3.119 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ccccc1C ZINC001109928393 1367408756 /nfs/dbraw/zinc/40/87/56/1367408756.db2.gz UJWWIMPYZTXBHX-JYBIWHBTSA-N 2 1 343.515 3.119 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082180 1367420161 /nfs/dbraw/zinc/42/01/61/1367420161.db2.gz VFOOIQWJZVUBCB-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191082180 1367420164 /nfs/dbraw/zinc/42/01/64/1367420164.db2.gz VFOOIQWJZVUBCB-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP CCC(CC)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191082180 1367420168 /nfs/dbraw/zinc/42/01/68/1367420168.db2.gz VFOOIQWJZVUBCB-OALUTQOASA-N 2 1 337.552 3.076 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC001325022560 1387875594 /nfs/dbraw/zinc/87/55/94/1387875594.db2.gz GNFMGHWMTDLBRA-LJQANCHMSA-N 2 1 348.560 3.360 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC001325022560 1387875596 /nfs/dbraw/zinc/87/55/96/1387875596.db2.gz GNFMGHWMTDLBRA-LJQANCHMSA-N 2 1 348.560 3.360 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC001325022560 1387875598 /nfs/dbraw/zinc/87/55/98/1387875598.db2.gz GNFMGHWMTDLBRA-LJQANCHMSA-N 2 1 348.560 3.360 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC001325022560 1387875599 /nfs/dbraw/zinc/87/55/99/1387875599.db2.gz GNFMGHWMTDLBRA-LJQANCHMSA-N 2 1 348.560 3.360 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001110016259 1367459359 /nfs/dbraw/zinc/45/93/59/1367459359.db2.gz GBODWLZYGOMHRB-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001110016259 1367459362 /nfs/dbraw/zinc/45/93/62/1367459362.db2.gz GBODWLZYGOMHRB-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001110016259 1367459365 /nfs/dbraw/zinc/45/93/65/1367459365.db2.gz GBODWLZYGOMHRB-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(F)ccc2C)C[C@@H]1C ZINC001191416461 1367498746 /nfs/dbraw/zinc/49/87/46/1367498746.db2.gz IFTKDAXQAMDASI-DOTOQJQBSA-N 2 1 335.467 3.267 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc(F)ccc2C)C[C@@H]1C ZINC001191416461 1367498748 /nfs/dbraw/zinc/49/87/48/1367498748.db2.gz IFTKDAXQAMDASI-DOTOQJQBSA-N 2 1 335.467 3.267 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc(F)ccc2C)C[C@@H]1C ZINC001191416461 1367498753 /nfs/dbraw/zinc/49/87/53/1367498753.db2.gz IFTKDAXQAMDASI-DOTOQJQBSA-N 2 1 335.467 3.267 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158927 1367531386 /nfs/dbraw/zinc/53/13/86/1367531386.db2.gz YYUGPAKFXGSIEM-FYQPLNBISA-N 2 1 347.547 3.185 20 0 EGADMP CC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001108717463 1367553830 /nfs/dbraw/zinc/55/38/30/1367553830.db2.gz LAWITXDOHIDVAE-XOQOMHCNSA-N 2 1 335.536 3.042 20 0 EGADMP CC(C)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001108764280 1367579834 /nfs/dbraw/zinc/57/98/34/1367579834.db2.gz BXNGRPOOXRPNNB-OTWHNJEPSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191946863 1367646521 /nfs/dbraw/zinc/64/65/21/1367646521.db2.gz FSTLPHCVKKKLGT-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191946863 1367646525 /nfs/dbraw/zinc/64/65/25/1367646525.db2.gz FSTLPHCVKKKLGT-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191946863 1367646528 /nfs/dbraw/zinc/64/65/28/1367646528.db2.gz FSTLPHCVKKKLGT-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191950001 1367647397 /nfs/dbraw/zinc/64/73/97/1367647397.db2.gz SEFOGZZNDSMZRT-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191950001 1367647401 /nfs/dbraw/zinc/64/74/01/1367647401.db2.gz SEFOGZZNDSMZRT-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191950001 1367647403 /nfs/dbraw/zinc/64/74/03/1367647403.db2.gz SEFOGZZNDSMZRT-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](C)CCCC(=O)N1CC[C@H]([N@@H+](C)CCC2CCCCCC2)C1 ZINC001192046706 1367673714 /nfs/dbraw/zinc/67/37/14/1367673714.db2.gz OWFQYGJBVXSQPI-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1 ZINC001192603945 1367831366 /nfs/dbraw/zinc/83/13/66/1367831366.db2.gz HDVSFRPTVKQRBH-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001192603945 1367831369 /nfs/dbraw/zinc/83/13/69/1367831369.db2.gz HDVSFRPTVKQRBH-SFHVURJKSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192846266 1367886830 /nfs/dbraw/zinc/88/68/30/1367886830.db2.gz LBERMXIXCUFXRT-FQEVSTJZSA-N 2 1 345.531 3.331 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917013 1367903576 /nfs/dbraw/zinc/90/35/76/1367903576.db2.gz HRFYPOPQYNQBBM-MSOLQXFVSA-N 2 1 325.541 3.076 20 0 EGADMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C(C)C)cc2)C1 ZINC001192960601 1367911872 /nfs/dbraw/zinc/91/18/72/1367911872.db2.gz RWTGOMOXRUUOMC-FQEVSTJZSA-N 2 1 345.531 3.185 20 0 EGADMP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1)[NH+](C)C ZINC001110693520 1367931601 /nfs/dbraw/zinc/93/16/01/1367931601.db2.gz MICSVPNXZPVPCM-ZRNYENFQSA-N 2 1 349.563 3.265 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@@H+](C)CC[C@@H](C)F)C1 ZINC001193424781 1368026369 /nfs/dbraw/zinc/02/63/69/1368026369.db2.gz PAPSDZFQRRVJAX-MSOLQXFVSA-N 2 1 343.531 3.169 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193500183 1368046881 /nfs/dbraw/zinc/04/68/81/1368046881.db2.gz QUNLTPXMGJGTOM-IWAYRVGRSA-N 2 1 344.503 3.040 20 0 EGADMP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001193500301 1368047049 /nfs/dbraw/zinc/04/70/49/1368047049.db2.gz RZJYHRLOIVQQNV-INIZCTEOSA-N 2 1 346.519 3.120 20 0 EGADMP C[C@H](c1cccc(F)c1)[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558909 1368061435 /nfs/dbraw/zinc/06/14/35/1368061435.db2.gz FGLNQAIFCDXBKP-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP C[C@@H](c1ccccc1F)[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193559009 1368061535 /nfs/dbraw/zinc/06/15/35/1368061535.db2.gz GOCMNQQIQYVRHS-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001193561349 1368062203 /nfs/dbraw/zinc/06/22/03/1368062203.db2.gz YFVFHGQOAUQSJN-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980147 1368132754 /nfs/dbraw/zinc/13/27/54/1368132754.db2.gz ROURECCIBWJGPQ-LIRZEXBASA-N 2 1 349.906 3.074 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1)[NH+](C)C ZINC001110994285 1368137947 /nfs/dbraw/zinc/13/79/47/1368137947.db2.gz WIZQCDSOGKMFCY-YSTOQKLRSA-N 2 1 349.563 3.265 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111230152 1368205734 /nfs/dbraw/zinc/20/57/34/1368205734.db2.gz IAPHLWGRDPWJLH-WTGUMLROSA-N 2 1 343.515 3.201 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001111230152 1368205740 /nfs/dbraw/zinc/20/57/40/1368205740.db2.gz IAPHLWGRDPWJLH-WTGUMLROSA-N 2 1 343.515 3.201 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111230152 1368205744 /nfs/dbraw/zinc/20/57/44/1368205744.db2.gz IAPHLWGRDPWJLH-WTGUMLROSA-N 2 1 343.515 3.201 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194246771 1368217282 /nfs/dbraw/zinc/21/72/82/1368217282.db2.gz RPWIBKKWJQDRBR-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC2CCC(C)(C)CC2)C1 ZINC001194286177 1368224565 /nfs/dbraw/zinc/22/45/65/1368224565.db2.gz WJYRGWUPZWIGFX-GOSISDBHSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CC2CCC(C)(C)CC2)C1 ZINC001194286177 1368224567 /nfs/dbraw/zinc/22/45/67/1368224567.db2.gz WJYRGWUPZWIGFX-GOSISDBHSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCC(C)(C)CC2)C1 ZINC001194286177 1368224571 /nfs/dbraw/zinc/22/45/71/1368224571.db2.gz WJYRGWUPZWIGFX-GOSISDBHSA-N 2 1 337.552 3.076 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CC=C(C)C)C2)o1 ZINC001194408083 1368255515 /nfs/dbraw/zinc/25/55/15/1368255515.db2.gz OMNXWYZWSNHWFO-QGZVFWFLSA-N 2 1 347.503 3.234 20 0 EGADMP Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC[NH+](C)C)C3)cs1 ZINC001111296485 1368256647 /nfs/dbraw/zinc/25/66/47/1368256647.db2.gz LDILIFURVNSAKS-KURKYZTESA-N 2 1 349.544 3.010 20 0 EGADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001111298752 1368258146 /nfs/dbraw/zinc/25/81/46/1368258146.db2.gz OVHUEXZDZRLDJK-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001111303812 1368261167 /nfs/dbraw/zinc/26/11/67/1368261167.db2.gz AKWDVEHMUPSQOC-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001111303812 1368261171 /nfs/dbraw/zinc/26/11/71/1368261171.db2.gz AKWDVEHMUPSQOC-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001111303812 1368261175 /nfs/dbraw/zinc/26/11/75/1368261175.db2.gz AKWDVEHMUPSQOC-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001111306061 1368261354 /nfs/dbraw/zinc/26/13/54/1368261354.db2.gz ZHGICIXTNHYHIG-MOZIWPGPSA-N 2 1 335.536 3.186 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001111306061 1368261356 /nfs/dbraw/zinc/26/13/56/1368261356.db2.gz ZHGICIXTNHYHIG-MOZIWPGPSA-N 2 1 335.536 3.186 20 0 EGADMP CCC/C=C\CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001111306061 1368261360 /nfs/dbraw/zinc/26/13/60/1368261360.db2.gz ZHGICIXTNHYHIG-MOZIWPGPSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194448346 1368264747 /nfs/dbraw/zinc/26/47/47/1368264747.db2.gz CCCOBCVFQNWEQG-HXUWFJFHSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194448346 1368264749 /nfs/dbraw/zinc/26/47/49/1368264749.db2.gz CCCOBCVFQNWEQG-HXUWFJFHSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194448346 1368264752 /nfs/dbraw/zinc/26/47/52/1368264752.db2.gz CCCOBCVFQNWEQG-HXUWFJFHSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194448346 1368264754 /nfs/dbraw/zinc/26/47/54/1368264754.db2.gz CCCOBCVFQNWEQG-HXUWFJFHSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC(C)(C)CC1 ZINC001111466558 1368310980 /nfs/dbraw/zinc/31/09/80/1368310980.db2.gz ZVIQKVLPLZOQOQ-QRVBRYPASA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC(C)(C)CC1 ZINC001111466558 1368310986 /nfs/dbraw/zinc/31/09/86/1368310986.db2.gz ZVIQKVLPLZOQOQ-QRVBRYPASA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC(C)(C)CC1 ZINC001111466558 1368310989 /nfs/dbraw/zinc/31/09/89/1368310989.db2.gz ZVIQKVLPLZOQOQ-QRVBRYPASA-N 2 1 349.563 3.265 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+](C)C(C)C)C3)c1 ZINC001111464329 1368311359 /nfs/dbraw/zinc/31/13/59/1368311359.db2.gz REXOAOIRQGQISN-AFYVEPGGSA-N 2 1 343.515 3.118 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+](C)C(C)C)C3)c1 ZINC001111464329 1368311362 /nfs/dbraw/zinc/31/13/62/1368311362.db2.gz REXOAOIRQGQISN-AFYVEPGGSA-N 2 1 343.515 3.118 20 0 EGADMP Cc1cccc([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+](C)C(C)C)C3)c1 ZINC001111464329 1368311364 /nfs/dbraw/zinc/31/13/64/1368311364.db2.gz REXOAOIRQGQISN-AFYVEPGGSA-N 2 1 343.515 3.118 20 0 EGADMP CC(C)(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111460321 1368311374 /nfs/dbraw/zinc/31/13/74/1368311374.db2.gz QWZPGGUCKODISQ-QRVBRYPASA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467702 1368311784 /nfs/dbraw/zinc/31/17/84/1368311784.db2.gz SJJUBOYRRNPUOW-YSTOQKLRSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001111467436 1368312221 /nfs/dbraw/zinc/31/22/21/1368312221.db2.gz IXMTYQVTBUDBGR-YSTOQKLRSA-N 2 1 343.515 3.057 20 0 EGADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC001111467436 1368312225 /nfs/dbraw/zinc/31/22/25/1368312225.db2.gz IXMTYQVTBUDBGR-YSTOQKLRSA-N 2 1 343.515 3.057 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001195111442 1368379776 /nfs/dbraw/zinc/37/97/76/1368379776.db2.gz CNXJOMGADZCKNN-AQNXPRMDSA-N 2 1 329.532 3.171 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCC1)C2 ZINC001111782471 1368459717 /nfs/dbraw/zinc/45/97/17/1368459717.db2.gz KOJQZHXXQAMMBK-ZVDOUQERSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCCC1)C2 ZINC001111782471 1368459719 /nfs/dbraw/zinc/45/97/19/1368459719.db2.gz KOJQZHXXQAMMBK-ZVDOUQERSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCC1)C2 ZINC001111782471 1368459725 /nfs/dbraw/zinc/45/97/25/1368459725.db2.gz KOJQZHXXQAMMBK-ZVDOUQERSA-N 2 1 347.547 3.022 20 0 EGADMP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001111870725 1368517979 /nfs/dbraw/zinc/51/79/79/1368517979.db2.gz LOQJXQAJJXSISK-HBFSDRIKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001111870725 1368517982 /nfs/dbraw/zinc/51/79/82/1368517982.db2.gz LOQJXQAJJXSISK-HBFSDRIKSA-N 2 1 335.536 3.022 20 0 EGADMP CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001111870725 1368517986 /nfs/dbraw/zinc/51/79/86/1368517986.db2.gz LOQJXQAJJXSISK-HBFSDRIKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001196201051 1368566728 /nfs/dbraw/zinc/56/67/28/1368566728.db2.gz SWVYUCSGCCVYQB-ZMBJWTFHSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001196201051 1368566733 /nfs/dbraw/zinc/56/67/33/1368566733.db2.gz SWVYUCSGCCVYQB-ZMBJWTFHSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001196201051 1368566737 /nfs/dbraw/zinc/56/67/37/1368566737.db2.gz SWVYUCSGCCVYQB-ZMBJWTFHSA-N 2 1 335.536 3.142 20 0 EGADMP CC(C)C[C@H](C(=O)N1CCC[N@@H+](CC2CC(C)C2)CC1)n1ccnc1 ZINC001196242968 1368574173 /nfs/dbraw/zinc/57/41/73/1368574173.db2.gz RPILXKULTKPJJE-CTWPCTMYSA-N 2 1 346.519 3.051 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001196275132 1368581673 /nfs/dbraw/zinc/58/16/73/1368581673.db2.gz GQJLRQSSGCMULE-SNAWJCMRSA-N 2 1 347.547 3.143 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)c1ccccc1)C2 ZINC001112009737 1368613766 /nfs/dbraw/zinc/61/37/66/1368613766.db2.gz RNOIBNYBJCKNNW-CUWPLCDZSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1ccccc1)C2 ZINC001112009737 1368613768 /nfs/dbraw/zinc/61/37/68/1368613768.db2.gz RNOIBNYBJCKNNW-CUWPLCDZSA-N 2 1 343.515 3.059 20 0 EGADMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1ccccc1)C2 ZINC001112009737 1368613773 /nfs/dbraw/zinc/61/37/73/1368613773.db2.gz RNOIBNYBJCKNNW-CUWPLCDZSA-N 2 1 343.515 3.059 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196641330 1368654194 /nfs/dbraw/zinc/65/41/94/1368654194.db2.gz AORWXNWJWNQCQX-WAYWQWQTSA-N 2 1 349.563 3.389 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196656505 1368657073 /nfs/dbraw/zinc/65/70/73/1368657073.db2.gz PXRPRXOZHBYKDS-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC(C)(C)C)C1 ZINC001112284828 1368748554 /nfs/dbraw/zinc/74/85/54/1368748554.db2.gz AQAUIGALFVSIFU-UEXGIBASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001112353678 1368784820 /nfs/dbraw/zinc/78/48/20/1368784820.db2.gz VYJQNPGMSAQEQV-ZJOUEHCJSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1nccn1CCCC(=O)N1CCC[N@H+](C[C@H](C)CC(C)C)CC1 ZINC001197454264 1368817813 /nfs/dbraw/zinc/81/78/13/1368817813.db2.gz PUCBYTVUMSCQCW-GOSISDBHSA-N 2 1 348.535 3.188 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[N@@H+](C[C@H](C)CC(C)C)CC1 ZINC001197454264 1368817817 /nfs/dbraw/zinc/81/78/17/1368817817.db2.gz PUCBYTVUMSCQCW-GOSISDBHSA-N 2 1 348.535 3.188 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[N@H+](C[C@H](C)CC(C)C)CC1 ZINC001197454264 1368817819 /nfs/dbraw/zinc/81/78/19/1368817819.db2.gz PUCBYTVUMSCQCW-GOSISDBHSA-N 2 1 348.535 3.188 20 0 EGADMP C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)(C)C)C1)C1CCC1 ZINC001112401808 1368825458 /nfs/dbraw/zinc/82/54/58/1368825458.db2.gz YZRACXJHDYEUQE-UWJYYQICSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2ccccc2CC)CC1 ZINC001197907371 1368922960 /nfs/dbraw/zinc/92/29/60/1368922960.db2.gz CRDXPCAHXBJDLB-UHFFFAOYSA-N 2 1 345.531 3.015 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198229841 1368984151 /nfs/dbraw/zinc/98/41/51/1368984151.db2.gz PLWOWLSPGSHOIW-LJQANCHMSA-N 2 1 343.515 3.158 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198243358 1368987329 /nfs/dbraw/zinc/98/73/29/1368987329.db2.gz IMKOSCRPMNYBLR-IBGZPJMESA-N 2 1 337.552 3.079 20 0 EGADMP CC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001198259857 1368991325 /nfs/dbraw/zinc/99/13/25/1368991325.db2.gz RZSWVCOBKLAUIN-KKHYBRAUSA-N 2 1 349.563 3.388 20 0 EGADMP CC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001198259862 1368992676 /nfs/dbraw/zinc/99/26/76/1368992676.db2.gz RZSWVCOBKLAUIN-RRFGBZISSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001112964835 1369112007 /nfs/dbraw/zinc/11/20/07/1369112007.db2.gz ABXZVQPPQVUWLK-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCC(C)(C)C)CC1 ZINC001113057430 1369171118 /nfs/dbraw/zinc/17/11/18/1369171118.db2.gz QNCSOXNEDQIPLS-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@@H](C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[NH+](CC)CC ZINC001113341399 1369358848 /nfs/dbraw/zinc/35/88/48/1369358848.db2.gz WBYQWWXUMXIJAF-MJGOQNOKSA-N 2 1 331.504 3.012 20 0 EGADMP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001200507748 1369382928 /nfs/dbraw/zinc/38/29/28/1369382928.db2.gz QKXARTHIYZHGFK-OVKVCFKUSA-N 2 1 335.536 3.186 20 0 EGADMP CCCCCC[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001200577727 1369392890 /nfs/dbraw/zinc/39/28/90/1369392890.db2.gz FNCRVBPOBBHUBH-HKUYNNGSSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001200577994 1369393550 /nfs/dbraw/zinc/39/35/50/1369393550.db2.gz JNELMWDLDRIYNJ-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001113397787 1369398163 /nfs/dbraw/zinc/39/81/63/1369398163.db2.gz NGKXMANFURDWPB-SFHVURJKSA-N 2 1 348.535 3.223 20 0 EGADMP CCCCC[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001200645019 1369404801 /nfs/dbraw/zinc/40/48/01/1369404801.db2.gz XKEZNCPBBAHNJR-INIZCTEOSA-N 2 1 334.508 3.167 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC([NH2+]C[C@H](C)CC)CC1 ZINC001200643321 1369404902 /nfs/dbraw/zinc/40/49/02/1369404902.db2.gz BRLDFRUEKUAHRQ-CVEARBPZSA-N 2 1 334.508 3.023 20 0 EGADMP CCC(CC)C[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001201043866 1369470659 /nfs/dbraw/zinc/47/06/59/1369470659.db2.gz KPIAYMIZKRGDAM-LJQANCHMSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001201043805 1369470866 /nfs/dbraw/zinc/47/08/66/1369470866.db2.gz JPZSJFJIBOAXNZ-GOSISDBHSA-N 2 1 337.552 3.266 20 0 EGADMP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053334 1369473092 /nfs/dbraw/zinc/47/30/92/1369473092.db2.gz OMQPFVHXSUWGCB-XDXAGZTOSA-N 2 1 344.503 3.088 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001201321515 1369518704 /nfs/dbraw/zinc/51/87/04/1369518704.db2.gz OHXCKPFDICALQV-UHFFFAOYSA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(C)cc2C)CC1 ZINC001201327343 1369520541 /nfs/dbraw/zinc/52/05/41/1369520541.db2.gz MAWOTRWTEWSFGK-UHFFFAOYSA-N 2 1 345.531 3.114 20 0 EGADMP c1cncc(C[NH+]2CCO[C@@H]3C[N@@H+](CC4CCCCC4)CC[C@@H]3C2)c1 ZINC001201397814 1369537035 /nfs/dbraw/zinc/53/70/35/1369537035.db2.gz RKIFGOCMOROWLR-NHCUHLMSSA-N 2 1 343.515 3.185 20 0 EGADMP c1cncc(C[N@@H+]2CCO[C@@H]3C[NH+](CC4CCCCC4)CC[C@@H]3C2)c1 ZINC001201397814 1369537041 /nfs/dbraw/zinc/53/70/41/1369537041.db2.gz RKIFGOCMOROWLR-NHCUHLMSSA-N 2 1 343.515 3.185 20 0 EGADMP c1cncc(C[N@H+]2CCO[C@@H]3C[NH+](CC4CCCCC4)CC[C@@H]3C2)c1 ZINC001201397814 1369537046 /nfs/dbraw/zinc/53/70/46/1369537046.db2.gz RKIFGOCMOROWLR-NHCUHLMSSA-N 2 1 343.515 3.185 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001201503387 1369558763 /nfs/dbraw/zinc/55/87/63/1369558763.db2.gz PDKQQXZTIVQJMM-UIFIKXQLSA-N 2 1 334.548 3.493 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201503387 1369558769 /nfs/dbraw/zinc/55/87/69/1369558769.db2.gz PDKQQXZTIVQJMM-UIFIKXQLSA-N 2 1 334.548 3.493 20 0 EGADMP CC[C@@H](C)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201503387 1369558772 /nfs/dbraw/zinc/55/87/72/1369558772.db2.gz PDKQQXZTIVQJMM-UIFIKXQLSA-N 2 1 334.548 3.493 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCN(C(=O)CCC[NH+]3CCCC3)CC2)c1 ZINC001113679421 1369562617 /nfs/dbraw/zinc/56/26/17/1369562617.db2.gz SKVSEQLEVJVHOC-IBGZPJMESA-N 2 1 343.515 3.076 20 0 EGADMP CCC[C@H](C)C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001201551121 1369573063 /nfs/dbraw/zinc/57/30/63/1369573063.db2.gz PJWHOWFTVBFVEJ-DFQSSKMNSA-N 2 1 331.504 3.041 20 0 EGADMP CCC[C@H](C)C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001201551121 1369573069 /nfs/dbraw/zinc/57/30/69/1369573069.db2.gz PJWHOWFTVBFVEJ-DFQSSKMNSA-N 2 1 331.504 3.041 20 0 EGADMP CCC[C@H](C)C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001201551121 1369573072 /nfs/dbraw/zinc/57/30/72/1369573072.db2.gz PJWHOWFTVBFVEJ-DFQSSKMNSA-N 2 1 331.504 3.041 20 0 EGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCCc1ccccc1)C2 ZINC001201661082 1369598727 /nfs/dbraw/zinc/59/87/27/1369598727.db2.gz NYTPYRGPHMTHIO-VXKWHMMOSA-N 2 1 342.527 3.300 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCCc1ccccc1)C2 ZINC001201661082 1369598728 /nfs/dbraw/zinc/59/87/28/1369598728.db2.gz NYTPYRGPHMTHIO-VXKWHMMOSA-N 2 1 342.527 3.300 20 0 EGADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCCc1ccccc1)C2 ZINC001201661082 1369598729 /nfs/dbraw/zinc/59/87/29/1369598729.db2.gz NYTPYRGPHMTHIO-VXKWHMMOSA-N 2 1 342.527 3.300 20 0 EGADMP CSCCC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001201689148 1369606456 /nfs/dbraw/zinc/60/64/56/1369606456.db2.gz VLDBLNDRQUZVIK-UHFFFAOYSA-N 2 1 334.529 3.107 20 0 EGADMP CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001325665776 1388025490 /nfs/dbraw/zinc/02/54/90/1388025490.db2.gz QAMGMRAJQOHKKU-IYARVYRRSA-N 2 1 339.568 3.133 20 0 EGADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001202656455 1369839870 /nfs/dbraw/zinc/83/98/70/1369839870.db2.gz VWMZNBPQKBLATE-YESZJQIVSA-N 2 1 341.540 3.390 20 0 EGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001202656455 1369839874 /nfs/dbraw/zinc/83/98/74/1369839874.db2.gz VWMZNBPQKBLATE-YESZJQIVSA-N 2 1 341.540 3.390 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001186981042 1388034973 /nfs/dbraw/zinc/03/49/73/1388034973.db2.gz KEMGEPAYFJGHMF-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC([NH2+]CC2CC(C)C2)CC1 ZINC001202974524 1369943097 /nfs/dbraw/zinc/94/30/97/1369943097.db2.gz WLZSPIKYUFMGKD-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cn[nH]c3)C[C@@H]21 ZINC001203091097 1369980001 /nfs/dbraw/zinc/98/00/01/1369980001.db2.gz UTOZKDLCWKOWEQ-BPQIPLTHSA-N 2 1 330.501 3.204 20 0 EGADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cn[nH]c3)C[C@@H]21 ZINC001203091097 1369980002 /nfs/dbraw/zinc/98/00/02/1369980002.db2.gz UTOZKDLCWKOWEQ-BPQIPLTHSA-N 2 1 330.501 3.204 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cn[nH]c3)C[C@@H]21 ZINC001203091097 1369980004 /nfs/dbraw/zinc/98/00/04/1369980004.db2.gz UTOZKDLCWKOWEQ-BPQIPLTHSA-N 2 1 330.501 3.204 20 0 EGADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cn[nH]c3)C[C@@H]21 ZINC001203091097 1369980005 /nfs/dbraw/zinc/98/00/05/1369980005.db2.gz UTOZKDLCWKOWEQ-BPQIPLTHSA-N 2 1 330.501 3.204 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203100822 1369983380 /nfs/dbraw/zinc/98/33/80/1369983380.db2.gz ACVWOSOHLUHMBI-MSOLQXFVSA-N 2 1 349.563 3.314 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203100880 1369983452 /nfs/dbraw/zinc/98/34/52/1369983452.db2.gz BCZZQYLDDPBMIJ-ROUUACIJSA-N 2 1 347.547 3.234 20 0 EGADMP CC(C)[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203105015 1369984836 /nfs/dbraw/zinc/98/48/36/1369984836.db2.gz VIFJWKNBQWWYLM-IAGOWNOFSA-N 2 1 335.536 3.065 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001203214559 1370027858 /nfs/dbraw/zinc/02/78/58/1370027858.db2.gz LQAHUDYJMVUJML-ROUUACIJSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H](C)CC)CC1 ZINC001203283663 1370061685 /nfs/dbraw/zinc/06/16/85/1370061685.db2.gz UWPDQRWEZIXVGI-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC([NH2+]CC[C@H](C)F)CC1)c1ccccc1 ZINC001203313515 1370078624 /nfs/dbraw/zinc/07/86/24/1370078624.db2.gz SCZDKYFXOZADCN-LPHOPBHVSA-N 2 1 349.494 3.008 20 0 EGADMP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203419502 1370118773 /nfs/dbraw/zinc/11/87/73/1370118773.db2.gz LYALVPLIOVEMAN-ZWKOTPCHSA-N 2 1 349.563 3.316 20 0 EGADMP CCCCC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203451158 1370131406 /nfs/dbraw/zinc/13/14/06/1370131406.db2.gz IPICZXHCMUBCBN-IRXDYDNUSA-N 2 1 346.519 3.214 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203641436 1370198345 /nfs/dbraw/zinc/19/83/45/1370198345.db2.gz QZFDXFBSZSNRGR-MOPGFXCFSA-N 2 1 349.563 3.316 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001203904526 1370308756 /nfs/dbraw/zinc/30/87/56/1370308756.db2.gz ZMOMVDNLQGOPCK-HKUYNNGSSA-N 2 1 337.552 3.124 20 0 EGADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)s1 ZINC001204031316 1370353776 /nfs/dbraw/zinc/35/37/76/1370353776.db2.gz JILRFDWMTMMAEZ-MSOLQXFVSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)s1 ZINC001204031316 1370353779 /nfs/dbraw/zinc/35/37/79/1370353779.db2.gz JILRFDWMTMMAEZ-MSOLQXFVSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)s1 ZINC001204031316 1370353781 /nfs/dbraw/zinc/35/37/81/1370353781.db2.gz JILRFDWMTMMAEZ-MSOLQXFVSA-N 2 1 327.497 3.405 20 0 EGADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)s1 ZINC001204031316 1370353786 /nfs/dbraw/zinc/35/37/86/1370353786.db2.gz JILRFDWMTMMAEZ-MSOLQXFVSA-N 2 1 327.497 3.405 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)CCc2ccncc2)cc1 ZINC001204266940 1370427184 /nfs/dbraw/zinc/42/71/84/1370427184.db2.gz BMULJLTZFNWYNJ-UHFFFAOYSA-N 2 1 327.472 3.087 20 0 EGADMP C[NH+](C)CCCOc1ccc(CN2CCC([N@@H+](C)C3CC3)CC2)cc1 ZINC001204271891 1370427775 /nfs/dbraw/zinc/42/77/75/1370427775.db2.gz STLRIWPPCFQETF-UHFFFAOYSA-N 2 1 345.531 3.076 20 0 EGADMP CC(C)[N@@H+](CCCCCO)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204271113 1370427890 /nfs/dbraw/zinc/42/78/90/1370427890.db2.gz DZRRNJHLVAPDMQ-UHFFFAOYSA-N 2 1 336.520 3.390 20 0 EGADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@H](COCC3CC3)C2)cc1 ZINC001204269859 1370427949 /nfs/dbraw/zinc/42/79/49/1370427949.db2.gz LKUGUKFQZYPHTR-HXUWFJFHSA-N 2 1 346.515 3.266 20 0 EGADMP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001115537013 1370534346 /nfs/dbraw/zinc/53/43/46/1370534346.db2.gz RVVHCPRBZHKWRK-OALUTQOASA-N 2 1 347.547 3.070 20 0 EGADMP C[N@@H+](CC(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1)C1CCC1 ZINC001115574870 1370577822 /nfs/dbraw/zinc/57/78/22/1370577822.db2.gz VKMRLTGCPRYFPU-UHFFFAOYSA-N 2 1 347.547 3.380 20 0 EGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC001204877419 1370594502 /nfs/dbraw/zinc/59/45/02/1370594502.db2.gz INKDPFCDMVDHRS-SZVBFZGTSA-N 2 1 345.437 3.384 20 0 EGADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC001204877419 1370594506 /nfs/dbraw/zinc/59/45/06/1370594506.db2.gz INKDPFCDMVDHRS-SZVBFZGTSA-N 2 1 345.437 3.384 20 0 EGADMP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115596722 1370597546 /nfs/dbraw/zinc/59/75/46/1370597546.db2.gz SOPRFFVLQVEKTB-GOSISDBHSA-N 2 1 337.552 3.316 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccsc2)CCCCC1 ZINC001115596827 1370598031 /nfs/dbraw/zinc/59/80/31/1370598031.db2.gz XRGBRKPSFOSMKV-KRWDZBQOSA-N 2 1 349.544 3.141 20 0 EGADMP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001204995366 1370623474 /nfs/dbraw/zinc/62/34/74/1370623474.db2.gz OUKOAGPEZJJKBJ-YTQUADARSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001204995366 1370623476 /nfs/dbraw/zinc/62/34/76/1370623476.db2.gz OUKOAGPEZJJKBJ-YTQUADARSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001204995366 1370623480 /nfs/dbraw/zinc/62/34/80/1370623480.db2.gz OUKOAGPEZJJKBJ-YTQUADARSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001204995366 1370623483 /nfs/dbraw/zinc/62/34/83/1370623483.db2.gz OUKOAGPEZJJKBJ-YTQUADARSA-N 2 1 344.528 3.214 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC001205231060 1370689046 /nfs/dbraw/zinc/68/90/46/1370689046.db2.gz WHIRPIMKHUVRJE-CQSZACIVSA-N 2 1 337.678 3.323 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC001205231060 1370689051 /nfs/dbraw/zinc/68/90/51/1370689051.db2.gz WHIRPIMKHUVRJE-CQSZACIVSA-N 2 1 337.678 3.323 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3ccccc3Cl)nc2)CC1 ZINC001205248476 1370694592 /nfs/dbraw/zinc/69/45/92/1370694592.db2.gz QBSQTJDSPGIUMK-IBGZPJMESA-N 2 1 345.874 3.078 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccccc3Cl)nc2)CC1 ZINC001205248477 1370694797 /nfs/dbraw/zinc/69/47/97/1370694797.db2.gz QBSQTJDSPGIUMK-LJQANCHMSA-N 2 1 345.874 3.078 20 0 EGADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205288519 1370707927 /nfs/dbraw/zinc/70/79/27/1370707927.db2.gz KTFVQVULAPPACJ-HXUWFJFHSA-N 2 1 343.471 3.356 20 0 EGADMP CN(C)c1ccc(Br)cc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205289112 1370708035 /nfs/dbraw/zinc/70/80/35/1370708035.db2.gz SQEZHYYAAUVZCV-INIZCTEOSA-N 2 1 340.309 3.218 20 0 EGADMP CN(C)c1ccc(Br)cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205289112 1370708043 /nfs/dbraw/zinc/70/80/43/1370708043.db2.gz SQEZHYYAAUVZCV-INIZCTEOSA-N 2 1 340.309 3.218 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001205340390 1370726865 /nfs/dbraw/zinc/72/68/65/1370726865.db2.gz YGWBFYVOQSTUHC-INIZCTEOSA-N 2 1 346.519 3.025 20 0 EGADMP CCC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2C(C)C)CCCCC1 ZINC001115759128 1370742801 /nfs/dbraw/zinc/74/28/01/1370742801.db2.gz YSOHGXMCSGDATO-UHFFFAOYSA-N 2 1 334.508 3.215 20 0 EGADMP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001115769034 1370753178 /nfs/dbraw/zinc/75/31/78/1370753178.db2.gz SLJMISLMBZSHCI-ZWKOTPCHSA-N 2 1 335.536 3.212 20 0 EGADMP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461446 1370762293 /nfs/dbraw/zinc/76/22/93/1370762293.db2.gz JLBGYOGIGUCORJ-SFHVURJKSA-N 2 1 346.519 3.025 20 0 EGADMP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205461522 1370762921 /nfs/dbraw/zinc/76/29/21/1370762921.db2.gz LZEVLZLPIHFXHJ-XLIONFOSSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)CC[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205462150 1370763536 /nfs/dbraw/zinc/76/35/36/1370763536.db2.gz UBBUHZNONPUVEI-LJQANCHMSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001205518741 1370778365 /nfs/dbraw/zinc/77/83/65/1370778365.db2.gz JLOUPPQGEDKAHV-PMACEKPBSA-N 2 1 349.563 3.268 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(F)c(Br)c2)CC1 ZINC001205558206 1370791194 /nfs/dbraw/zinc/79/11/94/1370791194.db2.gz CUCQANYVJSUCIH-CQSZACIVSA-N 2 1 333.220 3.241 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001205560972 1370792232 /nfs/dbraw/zinc/79/22/32/1370792232.db2.gz CHZREUWDHAPABU-QGZVFWFLSA-N 2 1 339.568 3.227 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cnc(Cl)c(C(F)(F)F)c2)CC1 ZINC001205578665 1370798896 /nfs/dbraw/zinc/79/88/96/1370798896.db2.gz IICSHMVBLCJALY-ZDUSSCGKSA-N 2 1 339.764 3.407 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cnc(Cl)c(C(F)(F)F)c2)CC1 ZINC001205578665 1370798899 /nfs/dbraw/zinc/79/88/99/1370798899.db2.gz IICSHMVBLCJALY-ZDUSSCGKSA-N 2 1 339.764 3.407 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(F)c(Br)c2)CC[C@@H]1C[NH3+] ZINC001205615808 1370811953 /nfs/dbraw/zinc/81/19/53/1370811953.db2.gz BEWRIPVXNSTIQC-WCQYABFASA-N 2 1 329.257 3.395 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c(C(F)(F)F)nc3sccn23)CC[C@H]1C[NH3+] ZINC001205625218 1370816074 /nfs/dbraw/zinc/81/60/74/1370816074.db2.gz ACCYLEQZFQFSTP-MNOVXSKESA-N 2 1 346.422 3.221 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)ccn2)CC[C@@H]1C[NH3+] ZINC001205637818 1370821344 /nfs/dbraw/zinc/82/13/44/1370821344.db2.gz IZINTUFJFUSUJX-PKOBYXMFSA-N 2 1 339.483 3.467 20 0 EGADMP C[C@H]1CC[N@H+](Cc2c(Br)ccnc2Cl)CC[C@@H]1C[NH3+] ZINC001205639255 1370823687 /nfs/dbraw/zinc/82/36/87/1370823687.db2.gz YBHAPGITXNZPLO-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2c(Br)ccnc2Cl)CC[C@@H]1C[NH3+] ZINC001205639255 1370823693 /nfs/dbraw/zinc/82/36/93/1370823693.db2.gz YBHAPGITXNZPLO-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)CC[C@@H]1C[NH3+] ZINC001205652680 1370828168 /nfs/dbraw/zinc/82/81/68/1370828168.db2.gz QQBCYVDWPCRXTP-NXEZZACHSA-N 2 1 342.274 3.023 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cn2)CC[C@@H]1C[NH3+] ZINC001205653777 1370830200 /nfs/dbraw/zinc/83/02/00/1370830200.db2.gz VKUQMKLILQEIRA-IEBWSBKVSA-N 2 1 339.483 3.467 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1c[nH]c2c1cccc2Br ZINC001205917452 1370910341 /nfs/dbraw/zinc/91/03/41/1370910341.db2.gz YSMDMBGSWUKZGC-NWDGAFQWSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c[nH]c2c1cccc2Br ZINC001205917452 1370910345 /nfs/dbraw/zinc/91/03/45/1370910345.db2.gz YSMDMBGSWUKZGC-NWDGAFQWSA-N 2 1 336.277 3.490 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cccnc1OCc1ccccc1 ZINC001205922970 1370912502 /nfs/dbraw/zinc/91/25/02/1370912502.db2.gz FTPIXYMOXZZAAE-FUHWJXTLSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccnc1OCc1ccccc1 ZINC001205922970 1370912505 /nfs/dbraw/zinc/91/25/05/1370912505.db2.gz FTPIXYMOXZZAAE-FUHWJXTLSA-N 2 1 325.456 3.220 20 0 EGADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n(C)n1 ZINC001205940983 1370919431 /nfs/dbraw/zinc/91/94/31/1370919431.db2.gz GVCZHCKWPRIHNW-WOJBJXKFSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n(C)n1 ZINC001205940983 1370919433 /nfs/dbraw/zinc/91/94/33/1370919433.db2.gz GVCZHCKWPRIHNW-WOJBJXKFSA-N 2 1 338.499 3.073 20 0 EGADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n(C)n1 ZINC001205940983 1370919437 /nfs/dbraw/zinc/91/94/37/1370919437.db2.gz GVCZHCKWPRIHNW-WOJBJXKFSA-N 2 1 338.499 3.073 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1OC(F)(F)F ZINC001206011499 1370937842 /nfs/dbraw/zinc/93/78/42/1370937842.db2.gz CVSJXKOKGROQST-OCCSQVGLSA-N 2 1 346.393 3.401 20 0 EGADMP COc1cc(Cl)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(OC)c1 ZINC001206012620 1370938357 /nfs/dbraw/zinc/93/83/57/1370938357.db2.gz MZXHAMZOCOLECG-STQMWFEESA-N 2 1 326.868 3.164 20 0 EGADMP COc1cc(Br)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001206022254 1370940992 /nfs/dbraw/zinc/94/09/92/1370940992.db2.gz BQIAIVUZRLYJHV-TZMCWYRMSA-N 2 1 341.293 3.265 20 0 EGADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)cc21 ZINC001206027945 1370942155 /nfs/dbraw/zinc/94/21/55/1370942155.db2.gz XJWFAFLYYVUJHY-QFBILLFUSA-N 3 1 327.516 3.495 20 0 EGADMP C[C@@H]1C[N@H+](Cc2c(Br)ccnc2Cl)CCC[C@@H]1C[NH3+] ZINC001206028914 1370942990 /nfs/dbraw/zinc/94/29/90/1370942990.db2.gz ZSEZZWXLGGPZOY-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2c(Br)ccnc2Cl)CCC[C@@H]1C[NH3+] ZINC001206028914 1370942993 /nfs/dbraw/zinc/94/29/93/1370942993.db2.gz ZSEZZWXLGGPZOY-GHMZBOCLSA-N 2 1 346.700 3.304 20 0 EGADMP [NH3+][C@@H]1CC[N@H+](CCCc2ccc(Br)cc2)CC[C@@H]1F ZINC001206156335 1370974540 /nfs/dbraw/zinc/97/45/40/1370974540.db2.gz QDDZTOAWTPLLJP-LSDHHAIUSA-N 2 1 329.257 3.143 20 0 EGADMP [NH3+][C@@H]1CC[N@@H+](CCCc2ccc(Br)cc2)CC[C@@H]1F ZINC001206156335 1370974543 /nfs/dbraw/zinc/97/45/43/1370974543.db2.gz QDDZTOAWTPLLJP-LSDHHAIUSA-N 2 1 329.257 3.143 20 0 EGADMP Cc1cc(Br)cc(C)c1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206197216 1370989727 /nfs/dbraw/zinc/98/97/27/1370989727.db2.gz GWZUFBYXOUJCMW-CABCVRRESA-N 2 1 329.257 3.327 20 0 EGADMP Cc1cc(Br)cc(C)c1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206197216 1370989732 /nfs/dbraw/zinc/98/97/32/1370989732.db2.gz GWZUFBYXOUJCMW-CABCVRRESA-N 2 1 329.257 3.327 20 0 EGADMP CC/C=C\CC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001206444463 1371056301 /nfs/dbraw/zinc/05/63/01/1371056301.db2.gz AGXQSSHNXMYOCC-WAYWQWQTSA-N 2 1 346.519 3.191 20 0 EGADMP O[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1cc2ccccc2o1 ZINC001117741925 1371072169 /nfs/dbraw/zinc/07/21/69/1371072169.db2.gz JMNVBCPLZBESSJ-ZWKOTPCHSA-N 2 1 328.456 3.417 20 0 EGADMP O[C@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1cc2ccccc2o1 ZINC001117741925 1371072171 /nfs/dbraw/zinc/07/21/71/1371072171.db2.gz JMNVBCPLZBESSJ-ZWKOTPCHSA-N 2 1 328.456 3.417 20 0 EGADMP CCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206548883 1371090432 /nfs/dbraw/zinc/09/04/32/1371090432.db2.gz RUEWYRNRNDKXHU-RBUKOAKNSA-N 2 1 335.536 3.022 20 0 EGADMP CCOc1ncc(Cl)cc1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206597364 1371103905 /nfs/dbraw/zinc/10/39/05/1371103905.db2.gz BCTAIZHMACZSQP-INIZCTEOSA-N 2 1 325.884 3.486 20 0 EGADMP CCOc1ncc(Cl)cc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206597364 1371103908 /nfs/dbraw/zinc/10/39/08/1371103908.db2.gz BCTAIZHMACZSQP-INIZCTEOSA-N 2 1 325.884 3.486 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCCc2cccc(Br)c2)C1 ZINC001206606169 1371107792 /nfs/dbraw/zinc/10/77/92/1371107792.db2.gz GHHQPFADCVQUMC-HNNXBMFYSA-N 2 1 325.294 3.443 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206632211 1371114250 /nfs/dbraw/zinc/11/42/50/1371114250.db2.gz HDRHPNXHFKJQSZ-GFCCVEGCSA-N 2 1 332.366 3.155 20 0 EGADMP COc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(-c2ccccc2)cn1 ZINC001206649250 1371119696 /nfs/dbraw/zinc/11/96/96/1371119696.db2.gz RULAVGXMQRVDDZ-MRXNPFEDSA-N 2 1 325.456 3.318 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCC1(F)F ZINC001206675024 1371128936 /nfs/dbraw/zinc/12/89/36/1371128936.db2.gz ZTLUZZCHGYJGIJ-INIZCTEOSA-N 2 1 338.442 3.386 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCC1(F)F ZINC001206675024 1371128938 /nfs/dbraw/zinc/12/89/38/1371128938.db2.gz ZTLUZZCHGYJGIJ-INIZCTEOSA-N 2 1 338.442 3.386 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001206890532 1371210052 /nfs/dbraw/zinc/21/00/52/1371210052.db2.gz WLWDKGFJUFKPJC-MRXNPFEDSA-N 2 1 349.494 3.057 20 0 EGADMP CCC/C=C/CC[NH2+]CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206947626 1371240038 /nfs/dbraw/zinc/24/00/38/1371240038.db2.gz CJYPITPYZZLLBM-SMJNTDKHSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)CCC[NH2+]CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206948094 1371240530 /nfs/dbraw/zinc/24/05/30/1371240530.db2.gz UQHLVGXZBUHKOK-HDICACEKSA-N 2 1 337.552 3.124 20 0 EGADMP O=c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH]1 ZINC001118991603 1371262789 /nfs/dbraw/zinc/26/27/89/1371262789.db2.gz ZZAGWHZOMGSBSQ-IHWFROFDSA-N 2 1 337.467 3.463 20 0 EGADMP c1[nH+]c(CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)n2ccccc12 ZINC001207052848 1371278289 /nfs/dbraw/zinc/27/82/89/1371278289.db2.gz FRNPSMDEAYEVDL-QUCCMNQESA-N 2 1 332.451 3.041 20 0 EGADMP c1[nH+]c(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)n2ccccc12 ZINC001207052848 1371278295 /nfs/dbraw/zinc/27/82/95/1371278295.db2.gz FRNPSMDEAYEVDL-QUCCMNQESA-N 2 1 332.451 3.041 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2cncc(C)c2)CC1 ZINC001207161368 1371315626 /nfs/dbraw/zinc/31/56/26/1371315626.db2.gz GODXSWDUUWVAFV-UHFFFAOYSA-N 2 1 332.536 3.020 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)c2cccc3c2C[NH2+]C3)cc1Cl ZINC001119380219 1371326251 /nfs/dbraw/zinc/32/62/51/1371326251.db2.gz GCHOAKFAXALUNW-UHFFFAOYSA-N 2 1 329.831 3.257 20 0 EGADMP Cc1c[nH+]c2n1CCC21CC[NH+](CCOCc2ccccc2)CC1 ZINC001207233437 1371336868 /nfs/dbraw/zinc/33/68/68/1371336868.db2.gz LGTPYXMUNYBBMG-UHFFFAOYSA-N 2 1 325.456 3.146 20 0 EGADMP C[NH+](C)CC(C)(C)CN1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001207288857 1371351916 /nfs/dbraw/zinc/35/19/16/1371351916.db2.gz WJIXRJIFNAONIG-UHFFFAOYSA-N 2 1 335.511 3.310 20 0 EGADMP COC(=O)[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)[C@H](c2ccccc2)C1 ZINC001207288253 1371351925 /nfs/dbraw/zinc/35/19/25/1371351925.db2.gz LRASNZNOMHCVEW-ROUUACIJSA-N 2 1 332.488 3.201 20 0 EGADMP COC(=O)[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)[C@H](c2ccccc2)C1 ZINC001207288253 1371351931 /nfs/dbraw/zinc/35/19/31/1371351931.db2.gz LRASNZNOMHCVEW-ROUUACIJSA-N 2 1 332.488 3.201 20 0 EGADMP c1ccc(C[NH+]2CCC(C[NH+]3CC(Oc4cccnc4)C3)CC2)cc1 ZINC001207290854 1371352304 /nfs/dbraw/zinc/35/23/04/1371352304.db2.gz HZMLNHSIRRPFIC-UHFFFAOYSA-N 2 1 337.467 3.057 20 0 EGADMP CC[N@@H+](CCn1cccn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207292329 1371352669 /nfs/dbraw/zinc/35/26/69/1371352669.db2.gz NTXBRHDRCGLFIT-UHFFFAOYSA-N 2 1 326.488 3.117 20 0 EGADMP CC(C)CN1CC[NH+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207289259 1371353105 /nfs/dbraw/zinc/35/31/05/1371353105.db2.gz IXLJZFXRBAYZSN-UHFFFAOYSA-N 2 1 329.532 3.172 20 0 EGADMP C[C@H](c1ccccc1)[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CN2CCC1CC2 ZINC001207399138 1371384500 /nfs/dbraw/zinc/38/45/00/1371384500.db2.gz COLRNOQHXMXTTJ-XMSQKQJNSA-N 2 1 341.543 3.486 20 0 EGADMP CC[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207399710 1371384992 /nfs/dbraw/zinc/38/49/92/1371384992.db2.gz RPKZPVDOBDNGNW-KRWDZBQOSA-N 2 1 339.524 3.050 20 0 EGADMP Clc1cccc(CC[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)c1 ZINC001207422692 1371389841 /nfs/dbraw/zinc/38/98/41/1371389841.db2.gz VQENQCAQFTWZAS-KDURUIRLSA-N 2 1 341.886 3.341 20 0 EGADMP Clc1cccc(CCN2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001207422692 1371389845 /nfs/dbraw/zinc/38/98/45/1371389845.db2.gz VQENQCAQFTWZAS-KDURUIRLSA-N 2 1 341.886 3.341 20 0 EGADMP Clc1cccc(CCN2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001207422692 1371389849 /nfs/dbraw/zinc/38/98/49/1371389849.db2.gz VQENQCAQFTWZAS-KDURUIRLSA-N 2 1 341.886 3.341 20 0 EGADMP CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)[N@H+]1CC1CC[NH2+]CC1 ZINC001207441714 1371396957 /nfs/dbraw/zinc/39/69/57/1371396957.db2.gz LGNSQVNVPPFDQI-RTBURBONSA-N 2 1 330.472 3.145 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](C)CC2)[C@@H](C)CN1Cc1ccccc1 ZINC001207479013 1371408424 /nfs/dbraw/zinc/40/84/24/1371408424.db2.gz AREPZQFKBFWSPK-RBUKOAKNSA-N 2 1 329.532 3.313 20 0 EGADMP C[C@@H]1CN(CCC2CC[NH+](C)CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001207479013 1371408425 /nfs/dbraw/zinc/40/84/25/1371408425.db2.gz AREPZQFKBFWSPK-RBUKOAKNSA-N 2 1 329.532 3.313 20 0 EGADMP C[C@@H]1CN(CCC2CC[NH+](C)CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001207479013 1371408431 /nfs/dbraw/zinc/40/84/31/1371408431.db2.gz AREPZQFKBFWSPK-RBUKOAKNSA-N 2 1 329.532 3.313 20 0 EGADMP C[C@H]1C[N@@H+](CCC2CC[NH+](C)CC2)CCCN1C(=O)OC(C)(C)C ZINC001207486671 1371410755 /nfs/dbraw/zinc/41/07/55/1371410755.db2.gz AOHUWZLZYJMSJC-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H]2CCNC(=O)OC(C)(C)C)CC1 ZINC001207486059 1371411012 /nfs/dbraw/zinc/41/10/12/1371411012.db2.gz CRSGNXKUPLMACG-KRWDZBQOSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3N3CCCC3)C[C@H]2C1 ZINC001119987919 1371442795 /nfs/dbraw/zinc/44/27/95/1371442795.db2.gz CNMALJMTWYPXEU-MISYRCLQSA-N 2 1 327.516 3.449 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001207617089 1371453209 /nfs/dbraw/zinc/45/32/09/1371453209.db2.gz MPZOISDXZAPAEZ-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001207617089 1371453210 /nfs/dbraw/zinc/45/32/10/1371453210.db2.gz MPZOISDXZAPAEZ-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001207617089 1371453211 /nfs/dbraw/zinc/45/32/11/1371453211.db2.gz MPZOISDXZAPAEZ-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)c2ccccc2F)C[C@H]1C ZINC001207750809 1371494524 /nfs/dbraw/zinc/49/45/24/1371494524.db2.gz ZVPPJEAPHJMYJU-IIDMSEBBSA-N 2 1 349.494 3.054 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)c2ccccc2F)C[C@H]1C ZINC001207750809 1371494527 /nfs/dbraw/zinc/49/45/27/1371494527.db2.gz ZVPPJEAPHJMYJU-IIDMSEBBSA-N 2 1 349.494 3.054 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccccc2F)C[C@H]1C ZINC001207750809 1371494528 /nfs/dbraw/zinc/49/45/28/1371494528.db2.gz ZVPPJEAPHJMYJU-IIDMSEBBSA-N 2 1 349.494 3.054 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccccc2F)C[C@H]1C ZINC001207750809 1371494530 /nfs/dbraw/zinc/49/45/30/1371494530.db2.gz ZVPPJEAPHJMYJU-IIDMSEBBSA-N 2 1 349.494 3.054 20 0 EGADMP CC(C)CC[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001120190636 1371503316 /nfs/dbraw/zinc/50/33/16/1371503316.db2.gz XGHFXOYZNTYZPL-HDICACEKSA-N 2 1 337.552 3.314 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001207868310 1371525666 /nfs/dbraw/zinc/52/56/66/1371525666.db2.gz RAFOFSKQIPFNGJ-CRAIPNDOSA-N 2 1 342.487 3.211 20 0 EGADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@@H](C)c1ccccc1)C2 ZINC001207905545 1371534192 /nfs/dbraw/zinc/53/41/92/1371534192.db2.gz JRLZBAYRYBFCMM-QGZVFWFLSA-N 2 1 326.488 3.343 20 0 EGADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C[C@@H](C)c1ccccc1)C2 ZINC001207905545 1371534197 /nfs/dbraw/zinc/53/41/97/1371534197.db2.gz JRLZBAYRYBFCMM-QGZVFWFLSA-N 2 1 326.488 3.343 20 0 EGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@@H](C)c1ccccc1)C2 ZINC001207905545 1371534204 /nfs/dbraw/zinc/53/42/04/1371534204.db2.gz JRLZBAYRYBFCMM-QGZVFWFLSA-N 2 1 326.488 3.343 20 0 EGADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@@H](C)c1ccccc1)C2 ZINC001207905545 1371534207 /nfs/dbraw/zinc/53/42/07/1371534207.db2.gz JRLZBAYRYBFCMM-QGZVFWFLSA-N 2 1 326.488 3.343 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 ZINC001120365614 1371550353 /nfs/dbraw/zinc/55/03/53/1371550353.db2.gz UKWLQRUBVHQPHK-QZTJIDSGSA-N 2 1 346.519 3.236 20 0 EGADMP CCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001120391845 1371559495 /nfs/dbraw/zinc/55/94/95/1371559495.db2.gz HWXMVRBSWZHZHW-MOPGFXCFSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001207988864 1371560864 /nfs/dbraw/zinc/56/08/64/1371560864.db2.gz ZITACYYTIQCDJV-FRQCXROJSA-N 2 1 342.487 3.067 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001120429826 1371573483 /nfs/dbraw/zinc/57/34/83/1371573483.db2.gz BTTOQLCFBPMLAN-RBUKOAKNSA-N 2 1 346.519 3.085 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001120429826 1371573484 /nfs/dbraw/zinc/57/34/84/1371573484.db2.gz BTTOQLCFBPMLAN-RBUKOAKNSA-N 2 1 346.519 3.085 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120431258 1371574269 /nfs/dbraw/zinc/57/42/69/1371574269.db2.gz QXJPJPJTTGSAHV-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430541 1371574548 /nfs/dbraw/zinc/57/45/48/1371574548.db2.gz LOWXWMHKKMEJMQ-NHQAVIFJSA-N 2 1 349.563 3.388 20 0 EGADMP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208049743 1371580599 /nfs/dbraw/zinc/58/05/99/1371580599.db2.gz QMMJIQYQKZQLFO-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CC2CCCC2)C1 ZINC001120450625 1371581653 /nfs/dbraw/zinc/58/16/53/1371581653.db2.gz XIZKKISLVAEDBZ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC2CCCC2)C1 ZINC001120450625 1371581656 /nfs/dbraw/zinc/58/16/56/1371581656.db2.gz XIZKKISLVAEDBZ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC2CCCC2)C1 ZINC001120450625 1371581660 /nfs/dbraw/zinc/58/16/60/1371581660.db2.gz XIZKKISLVAEDBZ-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CC1(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCOCC1 ZINC001208078502 1371589533 /nfs/dbraw/zinc/58/95/33/1371589533.db2.gz NTMPDKZMRBRQLB-UXHICEINSA-N 2 1 328.500 3.257 20 0 EGADMP CC1(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCOCC1 ZINC001208078502 1371589537 /nfs/dbraw/zinc/58/95/37/1371589537.db2.gz NTMPDKZMRBRQLB-UXHICEINSA-N 2 1 328.500 3.257 20 0 EGADMP C[NH+]1CCC(C)(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001208114129 1371600121 /nfs/dbraw/zinc/60/01/21/1371600121.db2.gz RXDAUVKGWZHYBM-ULQDDVLXSA-N 2 1 336.520 3.161 20 0 EGADMP CC/C=C\CCC[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001208135231 1371606469 /nfs/dbraw/zinc/60/64/69/1371606469.db2.gz CZTZOSNEDPYIRI-FPLPWBNLSA-N 2 1 346.519 3.037 20 0 EGADMP Cc1cccnc1O[C@@H]1CCC[N@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208187793 1371625288 /nfs/dbraw/zinc/62/52/88/1371625288.db2.gz AEBXKIOMVQOLQF-GOSISDBHSA-N 2 1 331.504 3.355 20 0 EGADMP C[NH+](C)CC1(CN2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)CCCC1 ZINC001208187960 1371626921 /nfs/dbraw/zinc/62/69/21/1371626921.db2.gz QWFZUKJGNCRHEV-FQEVSTJZSA-N 2 1 327.516 3.023 20 0 EGADMP C[NH+](C)CC1(CN2CC[N@H+]3CCc4ccccc4[C@@H]3C2)CCCC1 ZINC001208187960 1371626925 /nfs/dbraw/zinc/62/69/25/1371626925.db2.gz QWFZUKJGNCRHEV-FQEVSTJZSA-N 2 1 327.516 3.023 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](CCc2cccc(F)c2)CC1 ZINC001208202690 1371643369 /nfs/dbraw/zinc/64/33/69/1371643369.db2.gz YDUHJORKIMBUEE-UHFFFAOYSA-N 2 1 349.538 3.498 20 0 EGADMP C[N@H+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001208231949 1371668194 /nfs/dbraw/zinc/66/81/94/1371668194.db2.gz BOMFOUCNHDILJU-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@@H+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001208231949 1371668196 /nfs/dbraw/zinc/66/81/96/1371668196.db2.gz BOMFOUCNHDILJU-INIZCTEOSA-N 2 1 339.524 3.050 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208279355 1371694755 /nfs/dbraw/zinc/69/47/55/1371694755.db2.gz ODXPHYGHKQMDAS-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001208330649 1371720245 /nfs/dbraw/zinc/72/02/45/1371720245.db2.gz BNSVPZPKMUFSKQ-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208475359 1371781833 /nfs/dbraw/zinc/78/18/33/1371781833.db2.gz TVHNREVCOVSPHG-HEVSSNLLSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208475361 1371782154 /nfs/dbraw/zinc/78/21/54/1371782154.db2.gz TVHNREVCOVSPHG-NHQAVIFJSA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)CC1 ZINC001208595433 1371833857 /nfs/dbraw/zinc/83/38/57/1371833857.db2.gz SMWVDFUIANVDSM-LJQANCHMSA-N 2 1 339.524 3.098 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](C[C@@H](O)c2ccccc2OC)C(C)C)CC1 ZINC001208601247 1371835799 /nfs/dbraw/zinc/83/57/99/1371835799.db2.gz LLDJXCADQUMXJV-LJQANCHMSA-N 2 1 334.504 3.171 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](Oc3ccccc3OC)C2)CC1 ZINC001208600388 1371836412 /nfs/dbraw/zinc/83/64/12/1371836412.db2.gz QGRQVMIJNFQSFT-SFHVURJKSA-N 2 1 332.488 3.270 20 0 EGADMP CCN(C(=O)OC(C)(C)C)C1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208608238 1371838626 /nfs/dbraw/zinc/83/86/26/1371838626.db2.gz PFPUYELYWVJYGA-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@H+]1CCC[C@H](CN2CC[NH+](Cc3ccc4ccccc4c3)CC2)C1 ZINC001208612034 1371839320 /nfs/dbraw/zinc/83/93/20/1371839320.db2.gz ABKVHLWDDIAIJI-FQEVSTJZSA-N 2 1 337.511 3.299 20 0 EGADMP COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001208612567 1371839512 /nfs/dbraw/zinc/83/95/12/1371839512.db2.gz BYJRNCXFCYLFER-APWZRJJASA-N 2 1 330.472 3.342 20 0 EGADMP COC(=O)c1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001208612567 1371839519 /nfs/dbraw/zinc/83/95/19/1371839519.db2.gz BYJRNCXFCYLFER-APWZRJJASA-N 2 1 330.472 3.342 20 0 EGADMP COC(=O)c1ccc([C@@H]2CCCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001208612567 1371839522 /nfs/dbraw/zinc/83/95/22/1371839522.db2.gz BYJRNCXFCYLFER-APWZRJJASA-N 2 1 330.472 3.342 20 0 EGADMP COC(=O)c1ccc([C@@H]2CCCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001208612567 1371839526 /nfs/dbraw/zinc/83/95/26/1371839526.db2.gz BYJRNCXFCYLFER-APWZRJJASA-N 2 1 330.472 3.342 20 0 EGADMP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121103065 1371855066 /nfs/dbraw/zinc/85/50/66/1371855066.db2.gz QKDUAOKJVISZDE-MBEFBZSESA-N 2 1 349.563 3.312 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001121103272 1371855205 /nfs/dbraw/zinc/85/52/05/1371855205.db2.gz UBNVVLSSMYSSJK-GEUNIFFNSA-N 2 1 349.563 3.312 20 0 EGADMP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001121289580 1371923142 /nfs/dbraw/zinc/92/31/42/1371923142.db2.gz YQBPKQJIBKWWOA-FAFJLIIVSA-N 2 1 347.547 3.066 20 0 EGADMP CCC[N@H+](CCCc1ccc(C(=O)OCC)cc1)CCC[NH+](C)C ZINC001208867068 1371924864 /nfs/dbraw/zinc/92/48/64/1371924864.db2.gz FQCDGKMTQLYDCW-UHFFFAOYSA-N 2 1 334.504 3.460 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CC[C@@H]4OCCC[C@@H]4C3)C2)cc1 ZINC001208932331 1371950693 /nfs/dbraw/zinc/95/06/93/1371950693.db2.gz OTMPYPLJGLLYGE-HBMCJLEFSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC[C@@H]4OCCC[C@@H]4C3)C2)cc1 ZINC001208932331 1371950695 /nfs/dbraw/zinc/95/06/95/1371950695.db2.gz OTMPYPLJGLLYGE-HBMCJLEFSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)C2)cc1 ZINC001208932331 1371950698 /nfs/dbraw/zinc/95/06/98/1371950698.db2.gz OTMPYPLJGLLYGE-HBMCJLEFSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CC[C@@H]4OCCC[C@@H]4C3)C2)cc1 ZINC001208932331 1371950700 /nfs/dbraw/zinc/95/07/00/1371950700.db2.gz OTMPYPLJGLLYGE-HBMCJLEFSA-N 2 1 328.500 3.400 20 0 EGADMP COC(=O)CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208933749 1371952501 /nfs/dbraw/zinc/95/25/01/1371952501.db2.gz GOQMQCYFIIILJR-FQEVSTJZSA-N 2 1 344.499 3.174 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CCC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC001208938084 1371954360 /nfs/dbraw/zinc/95/43/60/1371954360.db2.gz WUNNNDNWHHAMTN-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](CN3CCC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC001208938084 1371954367 /nfs/dbraw/zinc/95/43/67/1371954367.db2.gz WUNNNDNWHHAMTN-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H](CN3CCC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC001208938084 1371954369 /nfs/dbraw/zinc/95/43/69/1371954369.db2.gz WUNNNDNWHHAMTN-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939799 1371955207 /nfs/dbraw/zinc/95/52/07/1371955207.db2.gz JFEOHIWDQJHCGA-YZGWKJHDSA-N 2 1 344.499 3.030 20 0 EGADMP COC(=O)[C@@H]1C[C@@H](C)C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208939799 1371955210 /nfs/dbraw/zinc/95/52/10/1371955210.db2.gz JFEOHIWDQJHCGA-YZGWKJHDSA-N 2 1 344.499 3.030 20 0 EGADMP COC(=O)[C@@H]1C[C@@H](C)C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939799 1371955213 /nfs/dbraw/zinc/95/52/13/1371955213.db2.gz JFEOHIWDQJHCGA-YZGWKJHDSA-N 2 1 344.499 3.030 20 0 EGADMP C[N@@H+](C1CC1)C1CCN(C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208942932 1371956906 /nfs/dbraw/zinc/95/69/06/1371956906.db2.gz KCPFTVQEIUTXKP-FQEVSTJZSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+](C1CC1)C1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208942932 1371956912 /nfs/dbraw/zinc/95/69/12/1371956912.db2.gz KCPFTVQEIUTXKP-FQEVSTJZSA-N 2 1 341.543 3.457 20 0 EGADMP C[NH+](C1CC1)C1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208942932 1371956919 /nfs/dbraw/zinc/95/69/19/1371956919.db2.gz KCPFTVQEIUTXKP-FQEVSTJZSA-N 2 1 341.543 3.457 20 0 EGADMP F[C@@H]1COC2(C1)CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208952978 1371960491 /nfs/dbraw/zinc/96/04/91/1371960491.db2.gz NBLOXYPGPLVBIA-OALUTQOASA-N 2 1 332.463 3.102 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC001208949984 1371960661 /nfs/dbraw/zinc/96/06/61/1371960661.db2.gz ZREDQVWLNWBUSH-OAQYLSRUSA-N 2 1 341.543 3.459 20 0 EGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1Cc2ccccc2O1 ZINC001208961566 1371961638 /nfs/dbraw/zinc/96/16/38/1371961638.db2.gz GPDVPNWELFKIGZ-TZIWHRDSSA-N 2 1 336.479 3.444 20 0 EGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1Cc2ccccc2O1 ZINC001208961566 1371961640 /nfs/dbraw/zinc/96/16/40/1371961640.db2.gz GPDVPNWELFKIGZ-TZIWHRDSSA-N 2 1 336.479 3.444 20 0 EGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1Cc2ccccc2O1 ZINC001208961566 1371961645 /nfs/dbraw/zinc/96/16/45/1371961645.db2.gz GPDVPNWELFKIGZ-TZIWHRDSSA-N 2 1 336.479 3.444 20 0 EGADMP CCOC(=O)[C@H]1CC[C@H](C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001209002566 1371971173 /nfs/dbraw/zinc/97/11/73/1371971173.db2.gz SDWJDGNCPRYTAS-UAPYVXQJSA-N 2 1 338.536 3.408 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CC1CCC2(CC1)OCCO2 ZINC001209105597 1371998414 /nfs/dbraw/zinc/99/84/14/1371998414.db2.gz QYFKSYVQIQVIED-OALUTQOASA-N 2 1 336.520 3.259 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CC1CCC2(CC1)OCCO2 ZINC001209105597 1371998417 /nfs/dbraw/zinc/99/84/17/1371998417.db2.gz QYFKSYVQIQVIED-OALUTQOASA-N 2 1 336.520 3.259 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CC1CCC2(CC1)OCCO2 ZINC001209105597 1371998419 /nfs/dbraw/zinc/99/84/19/1371998419.db2.gz QYFKSYVQIQVIED-OALUTQOASA-N 2 1 336.520 3.259 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209133578 1372009924 /nfs/dbraw/zinc/00/99/24/1372009924.db2.gz HNQRTBNVAZERBO-GUDVDZBRSA-N 2 1 337.552 3.268 20 0 EGADMP CC(=O)OC(C)(C)CCC[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001209152212 1372016578 /nfs/dbraw/zinc/01/65/78/1372016578.db2.gz OVBWDFFJKWHMSU-UHFFFAOYSA-N 2 1 336.520 3.449 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001209204726 1372037730 /nfs/dbraw/zinc/03/77/30/1372037730.db2.gz KRJCBIORQMNZKN-OBNUAKFSSA-N 2 1 335.536 3.045 20 0 EGADMP COC(=O)CC[N@@H+](CCCCCc1ccccc1)CCC[NH+](C)C ZINC001209228838 1372044281 /nfs/dbraw/zinc/04/42/81/1372044281.db2.gz BEMNUJZGQDJSAL-UHFFFAOYSA-N 2 1 334.504 3.216 20 0 EGADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001209414383 1372099359 /nfs/dbraw/zinc/09/93/59/1372099359.db2.gz LVQOJIFOTUWLTQ-OTNPHJDUSA-N 2 1 332.532 3.103 20 0 EGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001209414383 1372099365 /nfs/dbraw/zinc/09/93/65/1372099365.db2.gz LVQOJIFOTUWLTQ-OTNPHJDUSA-N 2 1 332.532 3.103 20 0 EGADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001209414383 1372099369 /nfs/dbraw/zinc/09/93/69/1372099369.db2.gz LVQOJIFOTUWLTQ-OTNPHJDUSA-N 2 1 332.532 3.103 20 0 EGADMP CC[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209449818 1372109002 /nfs/dbraw/zinc/10/90/02/1372109002.db2.gz AFTIQRPSJGPVGN-QGZVFWFLSA-N 2 1 339.524 3.194 20 0 EGADMP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001121895279 1372116778 /nfs/dbraw/zinc/11/67/78/1372116778.db2.gz DLAOSVXHWJHJEF-GRFHQPFKSA-N 2 1 347.547 3.066 20 0 EGADMP CC/C=C/CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001209565933 1372138537 /nfs/dbraw/zinc/13/85/37/1372138537.db2.gz ICYOOSUQSJFTAG-HLKZIGTNSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001209565933 1372138540 /nfs/dbraw/zinc/13/85/40/1372138540.db2.gz ICYOOSUQSJFTAG-HLKZIGTNSA-N 2 1 337.552 3.291 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001209565933 1372138543 /nfs/dbraw/zinc/13/85/43/1372138543.db2.gz ICYOOSUQSJFTAG-HLKZIGTNSA-N 2 1 337.552 3.291 20 0 EGADMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)[nH]1 ZINC001209570928 1372139612 /nfs/dbraw/zinc/13/96/12/1372139612.db2.gz DVDYVJPXGGAGAR-UHFFFAOYSA-N 2 1 339.483 3.190 20 0 EGADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(C)C)cc2)C[C@H]1C ZINC001209634375 1372157506 /nfs/dbraw/zinc/15/75/06/1372157506.db2.gz DNWYKVKAWFMQKY-YLJYHZDGSA-N 2 1 345.531 3.088 20 0 EGADMP CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001122039730 1372159352 /nfs/dbraw/zinc/15/93/52/1372159352.db2.gz PUZOXEOPIKYZHS-MBEFBZSESA-N 2 1 349.563 3.458 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CCC)C2)C1 ZINC001122107052 1372176004 /nfs/dbraw/zinc/17/60/04/1372176004.db2.gz YQDCPKPKKSZBQE-FPLPWBNLSA-N 2 1 335.536 3.092 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CCC)C2)C1 ZINC001122107051 1372176209 /nfs/dbraw/zinc/17/62/09/1372176209.db2.gz YQDCPKPKKSZBQE-BQYQJAHWSA-N 2 1 335.536 3.092 20 0 EGADMP Nc1cc[nH+]cc1C[NH+]1CCC2(CC1)OCc1ccc(Cl)cc12 ZINC001209737760 1372180096 /nfs/dbraw/zinc/18/00/96/1372180096.db2.gz REQPIMOVALUYKJ-UHFFFAOYSA-N 2 1 329.831 3.169 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001209892451 1372225287 /nfs/dbraw/zinc/22/52/87/1372225287.db2.gz STGNGTUHGBSNDC-GOSISDBHSA-N 2 1 346.519 3.167 20 0 EGADMP CC[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209930668 1372234111 /nfs/dbraw/zinc/23/41/11/1372234111.db2.gz DBAGQWDENGRSJJ-SJORKVTESA-N 2 1 334.508 3.023 20 0 EGADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001210216969 1372295894 /nfs/dbraw/zinc/29/58/94/1372295894.db2.gz XQEXWKCPJZFWFS-OAQYLSRUSA-N 2 1 332.451 3.327 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(CN2CC[NH2+]C[C@H]2c2ccccc2)cc1 ZINC001210215747 1372296171 /nfs/dbraw/zinc/29/61/71/1372296171.db2.gz MQNSGDHDJDBGNO-NRFANRHFSA-N 2 1 332.451 3.327 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CC)C[C@H]1C ZINC001210236296 1372300978 /nfs/dbraw/zinc/30/09/78/1372300978.db2.gz LVOILGRCSMZAPO-IPMKNSEASA-N 2 1 339.568 3.371 20 0 EGADMP c1ccc(C[C@H]2CN(C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC[NH2+]2)cc1 ZINC001210266802 1372310160 /nfs/dbraw/zinc/31/01/60/1372310160.db2.gz JVLSFGWYTRLKFV-GOTSBHOMSA-N 2 1 349.522 3.025 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001210788365 1372426713 /nfs/dbraw/zinc/42/67/13/1372426713.db2.gz CDKOMLSTURMJJK-ACBHZAAOSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001210810624 1372430909 /nfs/dbraw/zinc/43/09/09/1372430909.db2.gz BGOUQCLAMQQRJM-LJQANCHMSA-N 2 1 345.531 3.232 20 0 EGADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343772 1372536399 /nfs/dbraw/zinc/53/63/99/1372536399.db2.gz LLYCIHJVVNUCLD-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343631 1372536671 /nfs/dbraw/zinc/53/66/71/1372536671.db2.gz CWXFSUYXAPYCJF-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1cc(F)c(F)cc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212145201 1372664023 /nfs/dbraw/zinc/66/40/23/1372664023.db2.gz NNKGJUUPVCQELW-HNNXBMFYSA-N 2 1 338.402 3.491 20 0 EGADMP O=C(NCC[NH2+]CC1CCCCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356833 1373118999 /nfs/dbraw/zinc/11/89/99/1373118999.db2.gz OUIWGJBGQGKLIP-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CCCC(C)(C)C ZINC001214889545 1373136772 /nfs/dbraw/zinc/13/67/72/1373136772.db2.gz MHZZHKXLEPEUQT-FGTMMUONSA-N 2 1 337.552 3.124 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+][C@H](CC)c1ccccc1 ZINC001127678267 1373158473 /nfs/dbraw/zinc/15/84/73/1373158473.db2.gz ACBACFKUASAZHO-FUHWJXTLSA-N 2 1 342.487 3.254 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129416491 1373381883 /nfs/dbraw/zinc/38/18/83/1373381883.db2.gz IGPAOXJIXNLBSP-ROUUACIJSA-N 2 1 331.504 3.025 20 0 EGADMP O=C(NCC[NH2+]CCC1CCCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129429522 1373383193 /nfs/dbraw/zinc/38/31/93/1373383193.db2.gz HMXUKLPHVRJHPI-IBGZPJMESA-N 2 1 335.536 3.070 20 0 EGADMP CC(C)c1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)cc1 ZINC001130187421 1373471533 /nfs/dbraw/zinc/47/15/33/1373471533.db2.gz UVFUGHBYDIZWKC-UXHICEINSA-N 2 1 343.515 3.033 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001130306312 1373488429 /nfs/dbraw/zinc/48/84/29/1373488429.db2.gz VKGZMMKALBMMOM-OXJNMPFZSA-N 2 1 339.483 3.091 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)c1 ZINC001130622416 1373570464 /nfs/dbraw/zinc/57/04/64/1373570464.db2.gz HPYHFMHJZPTUCH-KRWDZBQOSA-N 2 1 345.531 3.415 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130618070 1373571239 /nfs/dbraw/zinc/57/12/39/1373571239.db2.gz RRFJBTZDMYXIBV-QGZVFWFLSA-N 2 1 345.531 3.415 20 0 EGADMP c1ccc(C[N@@H+]2CCc3nc(O[C@@H]4CC[C@H]5C[NH2+]C[C@H]54)ccc3C2)cc1 ZINC001218475039 1373621169 /nfs/dbraw/zinc/62/11/69/1373621169.db2.gz XTQZEXAGJUMVHN-FBBABVLZSA-N 2 1 349.478 3.017 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(O[C@@H]4CC[C@H]5C[NH2+]C[C@H]54)ccc3C2)cc1 ZINC001218475039 1373621173 /nfs/dbraw/zinc/62/11/73/1373621173.db2.gz XTQZEXAGJUMVHN-FBBABVLZSA-N 2 1 349.478 3.017 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188245788 1388274536 /nfs/dbraw/zinc/27/45/36/1388274536.db2.gz AXHCZCXAMRNEQS-CSSZIBPHSA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001188245788 1388274541 /nfs/dbraw/zinc/27/45/41/1388274541.db2.gz AXHCZCXAMRNEQS-CSSZIBPHSA-N 2 1 347.547 3.140 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001188245788 1388274547 /nfs/dbraw/zinc/27/45/47/1388274547.db2.gz AXHCZCXAMRNEQS-CSSZIBPHSA-N 2 1 347.547 3.140 20 0 EGADMP c1ncn(-c2cccc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)c2)n1 ZINC001222173320 1373819378 /nfs/dbraw/zinc/81/93/78/1373819378.db2.gz TUUWKNMKCNXGNZ-FQEVSTJZSA-N 2 1 339.487 3.013 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132123909 1375158495 /nfs/dbraw/zinc/15/84/95/1375158495.db2.gz LHVHTYFBUAWAEE-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C[N@H+]1CCCCCF ZINC001132132430 1375163108 /nfs/dbraw/zinc/16/31/08/1375163108.db2.gz QVEKBSQGOHQYOU-ZBFHGGJFSA-N 2 1 346.450 3.285 20 0 EGADMP CC(C)C[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132202189 1375205590 /nfs/dbraw/zinc/20/55/90/1375205590.db2.gz DPLQCUXBAHUQPH-QZTJIDSGSA-N 2 1 337.552 3.124 20 0 EGADMP CCCC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132203347 1375207300 /nfs/dbraw/zinc/20/73/00/1375207300.db2.gz ORSAMPFBPSXWJE-ZWKOTPCHSA-N 2 1 337.552 3.268 20 0 EGADMP CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207845 1375210172 /nfs/dbraw/zinc/21/01/72/1375210172.db2.gz XSPASZDSZLUYBO-ROUUACIJSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207845 1375210177 /nfs/dbraw/zinc/21/01/77/1375210177.db2.gz XSPASZDSZLUYBO-ROUUACIJSA-N 2 1 337.552 3.410 20 0 EGADMP CCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207845 1375210184 /nfs/dbraw/zinc/21/01/84/1375210184.db2.gz XSPASZDSZLUYBO-ROUUACIJSA-N 2 1 337.552 3.410 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC1CCC(C)(C)CC1 ZINC001132273844 1375259973 /nfs/dbraw/zinc/25/99/73/1375259973.db2.gz KVCRBWMZSBBRLM-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132315778 1375292267 /nfs/dbraw/zinc/29/22/67/1375292267.db2.gz VRQVNHYHWINMDN-JNVNVXKGSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132315778 1375292272 /nfs/dbraw/zinc/29/22/72/1375292272.db2.gz VRQVNHYHWINMDN-JNVNVXKGSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132315778 1375292273 /nfs/dbraw/zinc/29/22/73/1375292273.db2.gz VRQVNHYHWINMDN-JNVNVXKGSA-N 2 1 349.563 3.434 20 0 EGADMP C[N@@H+]1CCC[C@@H](Oc2ccc3c(n2)CC[NH+](Cc2ccccc2)C3)C1 ZINC001226743082 1375323171 /nfs/dbraw/zinc/32/31/71/1375323171.db2.gz MXAOZZXAOYGMFO-LJQANCHMSA-N 2 1 337.467 3.113 20 0 EGADMP C[N@H+]1CCC[C@@H](Oc2ccc3c(n2)CC[NH+](Cc2ccccc2)C3)C1 ZINC001226743082 1375323175 /nfs/dbraw/zinc/32/31/75/1375323175.db2.gz MXAOZZXAOYGMFO-LJQANCHMSA-N 2 1 337.467 3.113 20 0 EGADMP C[NH+]1CCC[C@@H](Oc2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001226743082 1375323179 /nfs/dbraw/zinc/32/31/79/1375323179.db2.gz MXAOZZXAOYGMFO-LJQANCHMSA-N 2 1 337.467 3.113 20 0 EGADMP C[NH+]1CCC[C@@H](Oc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C1 ZINC001226743082 1375323183 /nfs/dbraw/zinc/32/31/83/1375323183.db2.gz MXAOZZXAOYGMFO-LJQANCHMSA-N 2 1 337.467 3.113 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl ZINC001226766679 1375329491 /nfs/dbraw/zinc/32/94/91/1375329491.db2.gz NGLNPDZCBMAUCL-WDCWKCJDSA-N 2 1 341.927 3.019 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2c(C)cccc2C)C1 ZINC001132410705 1375360628 /nfs/dbraw/zinc/36/06/28/1375360628.db2.gz NADOOFHAKUFQJX-OALUTQOASA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2c(C)cccc2C)C1 ZINC001132410705 1375360631 /nfs/dbraw/zinc/36/06/31/1375360631.db2.gz NADOOFHAKUFQJX-OALUTQOASA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2c(C)cccc2C)C1 ZINC001132410705 1375360635 /nfs/dbraw/zinc/36/06/35/1375360635.db2.gz NADOOFHAKUFQJX-OALUTQOASA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCF)C1 ZINC001132419973 1375369448 /nfs/dbraw/zinc/36/94/48/1375369448.db2.gz KZVXYOUXVINKPL-ZWKOTPCHSA-N 2 1 343.531 3.217 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](Cc2ccccc2F)C1 ZINC001132435334 1375380428 /nfs/dbraw/zinc/38/04/28/1375380428.db2.gz BUHJTYCIBSRMAJ-SJLPKXTDSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2F)C1 ZINC001132435334 1375380432 /nfs/dbraw/zinc/38/04/32/1375380432.db2.gz BUHJTYCIBSRMAJ-SJLPKXTDSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2F)C1 ZINC001132435334 1375380439 /nfs/dbraw/zinc/38/04/39/1375380439.db2.gz BUHJTYCIBSRMAJ-SJLPKXTDSA-N 2 1 349.494 3.027 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132436099 1375380883 /nfs/dbraw/zinc/38/08/83/1375380883.db2.gz IQQLGVVWYLABRK-ROUUACIJSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001132442305 1375386634 /nfs/dbraw/zinc/38/66/34/1375386634.db2.gz ZBARESCDDJQTIK-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132442305 1375386638 /nfs/dbraw/zinc/38/66/38/1375386638.db2.gz ZBARESCDDJQTIK-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001132442305 1375386641 /nfs/dbraw/zinc/38/66/41/1375386641.db2.gz ZBARESCDDJQTIK-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132519478 1375437516 /nfs/dbraw/zinc/43/75/16/1375437516.db2.gz ZLWQBGZMWRKQDA-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548990 1375455161 /nfs/dbraw/zinc/45/51/61/1375455161.db2.gz MAICCVFXFOCNHR-MOPGFXCFSA-N 2 1 335.536 3.188 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[N@H+]1CC1CCC1 ZINC001132549330 1375455662 /nfs/dbraw/zinc/45/56/62/1375455662.db2.gz QQFAFSKXAJYGDJ-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCC(C)C)C1 ZINC001132938671 1375659325 /nfs/dbraw/zinc/65/93/25/1375659325.db2.gz XXLYDPCQQMQPTG-ZWKOTPCHSA-N 2 1 339.568 3.227 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC2CCCC2)C1 ZINC001229692546 1375876893 /nfs/dbraw/zinc/87/68/93/1375876893.db2.gz JKEHTNLNXQFQLU-VAMGGRTRSA-N 2 1 349.563 3.316 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CC(C)C ZINC001229852496 1375903937 /nfs/dbraw/zinc/90/39/37/1375903937.db2.gz KCJVPDKVPYFMPZ-IPMKNSEASA-N 2 1 339.568 3.418 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001230274979 1375979951 /nfs/dbraw/zinc/97/99/51/1375979951.db2.gz XDQNHWXJCHLCDL-AQNXPRMDSA-N 2 1 349.563 3.458 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001230274639 1375980336 /nfs/dbraw/zinc/98/03/36/1375980336.db2.gz DETJNGXMAPDYNN-UWCDRFHNSA-N 2 1 335.536 3.234 20 0 EGADMP CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C(C)(C)[N@@H+](C)CC ZINC001133399364 1375983862 /nfs/dbraw/zinc/98/38/62/1375983862.db2.gz KWDGLBXWPOVLGH-UHFFFAOYSA-N 2 1 339.911 3.008 20 0 EGADMP CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@@H+](C)C(C)C ZINC001133410641 1375993661 /nfs/dbraw/zinc/99/36/61/1375993661.db2.gz SXSWQMAICGGDME-UHFFFAOYSA-N 2 1 339.911 3.008 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](CCCCCF)CC1)c1ccccc1 ZINC001230373816 1376009796 /nfs/dbraw/zinc/00/97/96/1376009796.db2.gz BDOGVZYQDGQUDL-IBGZPJMESA-N 2 1 349.494 3.010 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001230581170 1376084029 /nfs/dbraw/zinc/08/40/29/1376084029.db2.gz VXLDPFJDTCMNQZ-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230598677 1376093893 /nfs/dbraw/zinc/09/38/93/1376093893.db2.gz WRTJLEGOEMFZNE-OALUTQOASA-N 2 1 337.552 3.220 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)C[N@H+]2CCC[C@H]2C)cc1 ZINC001133819760 1376218125 /nfs/dbraw/zinc/21/81/25/1376218125.db2.gz NOWBIVZRZLFJQE-IAGOWNOFSA-N 2 1 331.504 3.061 20 0 EGADMP CC[C@H]([NH2+]CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC001133856928 1376235874 /nfs/dbraw/zinc/23/58/74/1376235874.db2.gz WCVZCKCNCMGWGK-FXAWDEMLSA-N 2 1 349.494 3.056 20 0 EGADMP Cc1csc2sc(C[N@@H+](C)CCN3CC[NH+](C)CC3)c(C)c12 ZINC001231832001 1376324301 /nfs/dbraw/zinc/32/43/01/1376324301.db2.gz JHUSCFSSKPXYTM-UHFFFAOYSA-N 2 1 337.558 3.259 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015149 1376383302 /nfs/dbraw/zinc/38/33/02/1376383302.db2.gz BYBLQPQHMYASAH-DZGCQCFKSA-N 2 1 344.459 3.441 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232016574 1376385897 /nfs/dbraw/zinc/38/58/97/1376385897.db2.gz ZZRJUAUFBGESRJ-HIFRSBDPSA-N 2 1 344.459 3.298 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232016574 1376385903 /nfs/dbraw/zinc/38/59/03/1376385903.db2.gz ZZRJUAUFBGESRJ-HIFRSBDPSA-N 2 1 344.459 3.298 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)CC[C@]1(O)C(F)(F)F ZINC001232144649 1376409380 /nfs/dbraw/zinc/40/93/80/1376409380.db2.gz MMXXQWXATDXGHL-MLGOLLRUSA-N 2 1 348.384 3.023 20 0 EGADMP COc1ccnc(Cl)c1C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001232153868 1376410261 /nfs/dbraw/zinc/41/02/61/1376410261.db2.gz YUQMBASDSAKMHZ-UHFFFAOYSA-N 2 1 337.895 3.297 20 0 EGADMP Nc1ccc(F)cc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001232511805 1376472613 /nfs/dbraw/zinc/47/26/13/1376472613.db2.gz RZBVGMAQLGZHGW-HKUYNNGSSA-N 2 1 339.458 3.362 20 0 EGADMP Cc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@H]2CCCC[NH+]2C)cc1C ZINC001327226153 1388452242 /nfs/dbraw/zinc/45/22/42/1388452242.db2.gz WSUHKKVERAFWBS-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1ccc(C[NH+](C)CCCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1C ZINC001327226153 1388452246 /nfs/dbraw/zinc/45/22/46/1388452246.db2.gz WSUHKKVERAFWBS-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP Cc1ccc(C[NH+](C)CCCN(C)C(=O)[C@H]2CCCC[N@H+]2C)cc1C ZINC001327226153 1388452250 /nfs/dbraw/zinc/45/22/50/1388452250.db2.gz WSUHKKVERAFWBS-HXUWFJFHSA-N 2 1 345.531 3.068 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001134773076 1376713392 /nfs/dbraw/zinc/71/33/92/1376713392.db2.gz KNBWCFMPQJRNEI-ZWKOTPCHSA-N 2 1 347.547 3.407 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001134773473 1376713443 /nfs/dbraw/zinc/71/34/43/1376713443.db2.gz PLMPMQQAYSJBLV-DLBZAZTESA-N 2 1 337.552 3.480 20 0 EGADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2c(Cl)nccc2N(C)C)CC1 ZINC001234134259 1376775184 /nfs/dbraw/zinc/77/51/84/1376775184.db2.gz RFEREWPFTRNETD-UHFFFAOYSA-N 2 1 338.927 3.353 20 0 EGADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c(Cl)nccc2N(C)C)CC1 ZINC001234134259 1376775187 /nfs/dbraw/zinc/77/51/87/1376775187.db2.gz RFEREWPFTRNETD-UHFFFAOYSA-N 2 1 338.927 3.353 20 0 EGADMP Clc1cccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)o2)c1 ZINC001235036295 1376834421 /nfs/dbraw/zinc/83/44/21/1376834421.db2.gz LDIIDYCMTBBFMM-DNVCBOLYSA-N 2 1 346.858 3.410 20 0 EGADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(Cl)c1Cl ZINC001235039257 1376838686 /nfs/dbraw/zinc/83/86/86/1376838686.db2.gz WXKPMXABVMHFJN-TZMCWYRMSA-N 2 1 329.271 3.112 20 0 EGADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(Cl)c1Cl ZINC001235039257 1376838700 /nfs/dbraw/zinc/83/87/00/1376838700.db2.gz WXKPMXABVMHFJN-TZMCWYRMSA-N 2 1 329.271 3.112 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020072 1376850394 /nfs/dbraw/zinc/85/03/94/1376850394.db2.gz DPHCWOZHHYYMCN-HOTGVXAUSA-N 2 1 348.535 3.071 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001135028110 1376856404 /nfs/dbraw/zinc/85/64/04/1376856404.db2.gz BQFDAEQITGDYSM-HOTGVXAUSA-N 2 1 334.508 3.035 20 0 EGADMP Oc1cccc2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)nc12 ZINC001235427737 1376869682 /nfs/dbraw/zinc/86/96/82/1376869682.db2.gz NBDPIRPETJJBMZ-IAGOWNOFSA-N 2 1 325.456 3.152 20 0 EGADMP Oc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1OCC1CC1 ZINC001235427789 1376870042 /nfs/dbraw/zinc/87/00/42/1376870042.db2.gz OHCZTHYYCVGOIP-MOPGFXCFSA-N 2 1 344.499 3.393 20 0 EGADMP Clc1ccc2c(c1)n[nH]c2C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431231 1376872461 /nfs/dbraw/zinc/87/24/61/1376872461.db2.gz YZWKEQAMFDYYSJ-ZIAGYGMSSA-N 2 1 332.879 3.428 20 0 EGADMP CCOC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccc(C[NH3+])cc1 ZINC001235430137 1376872476 /nfs/dbraw/zinc/87/24/76/1376872476.db2.gz FIQWYJVCDCLDJT-UHFFFAOYSA-N 2 1 326.440 3.101 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1)[NH2+]CCC1CC1 ZINC001135076354 1376881565 /nfs/dbraw/zinc/88/15/65/1376881565.db2.gz AOMAGLZSOPMAKJ-SJORKVTESA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135077363 1376882449 /nfs/dbraw/zinc/88/24/49/1376882449.db2.gz NVHOWTCLTUPXMA-IRXDYDNUSA-N 2 1 325.541 3.170 20 0 EGADMP CC[N@H+](CCC[NH+](C)C)Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001235854110 1376902284 /nfs/dbraw/zinc/90/22/84/1376902284.db2.gz ALGJOVYWPRPSKZ-UHFFFAOYSA-N 2 1 349.519 3.485 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001235854110 1376902299 /nfs/dbraw/zinc/90/22/99/1376902299.db2.gz ALGJOVYWPRPSKZ-UHFFFAOYSA-N 2 1 349.519 3.485 20 0 EGADMP Oc1cc(Br)cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC001235887656 1376910721 /nfs/dbraw/zinc/91/07/21/1376910721.db2.gz IEIMBZVCWQERBJ-MRXNPFEDSA-N 2 1 339.277 3.119 20 0 EGADMP c1ccc(CN2CC[C@@H]([N@@H+](CCC3C[NH2+]C3)Cc3ccccc3)C2)cc1 ZINC001235947395 1376922023 /nfs/dbraw/zinc/92/20/23/1376922023.db2.gz BBHADUJVBQCZOH-HSZRJFAPSA-N 2 1 349.522 3.373 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236227004 1376942928 /nfs/dbraw/zinc/94/29/28/1376942928.db2.gz WTUILKSEFHFUQG-UHFFFAOYSA-N 2 1 343.471 3.227 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236227004 1376942931 /nfs/dbraw/zinc/94/29/31/1376942931.db2.gz WTUILKSEFHFUQG-UHFFFAOYSA-N 2 1 343.471 3.227 20 0 EGADMP CCC[N@@H+](Cc1cccc2cnc(SCC)n21)C[C@H]1CC[NH2+]C1 ZINC001236844970 1376966435 /nfs/dbraw/zinc/96/64/35/1376966435.db2.gz YDKCTZONOREGJW-HNNXBMFYSA-N 2 1 332.517 3.268 20 0 EGADMP CCC[N@H+](Cc1cccc2cnc(SCC)n21)C[C@H]1CC[NH2+]C1 ZINC001236844970 1376966441 /nfs/dbraw/zinc/96/64/41/1376966441.db2.gz YDKCTZONOREGJW-HNNXBMFYSA-N 2 1 332.517 3.268 20 0 EGADMP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@]1(CCO)CC[NH2+]C1 ZINC001246296465 1377050758 /nfs/dbraw/zinc/05/07/58/1377050758.db2.gz ROCCBCVUXUZTHY-WBMJQRKESA-N 2 1 331.287 3.019 20 0 EGADMP NCC[N@@H+]([C@H]1CCC[C@@]2(CC[NH2+]C2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246292381 1377051173 /nfs/dbraw/zinc/05/11/73/1377051173.db2.gz VYBRPPAIQOANRP-OQYHGZKISA-N 2 1 331.548 3.138 20 0 EGADMP C[C@H]1C[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2Cl)N(C)C)CC[NH2+]1 ZINC001246297717 1377051247 /nfs/dbraw/zinc/05/12/47/1377051247.db2.gz XJVKNASUZJJTKD-NORZTCDRSA-N 2 1 330.303 3.326 20 0 EGADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(N3CCCCCC3=O)c2)CC[NH2+]1 ZINC001246382242 1377051734 /nfs/dbraw/zinc/05/17/34/1377051734.db2.gz BGHGEHNEGPVRJW-ICSRJNTNSA-N 2 1 343.515 3.460 20 0 EGADMP CC(C)CN1c2ccccc2[C@@H]2C[N@@H+]([C@H]3CC[NH2+][C@@H](C)C3)CC[C@@H]21 ZINC001246761303 1377054345 /nfs/dbraw/zinc/05/43/45/1377054345.db2.gz AHQMZEYXSPNDTB-VKRLORBYSA-N 2 1 327.516 3.461 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001135437024 1377096529 /nfs/dbraw/zinc/09/65/29/1377096529.db2.gz KDNDJFLQITVWAY-INIZCTEOSA-N 2 1 347.494 3.030 20 0 EGADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(N3CCCCCC3=O)cc2)CC1 ZINC001254510018 1377105616 /nfs/dbraw/zinc/10/56/16/1377105616.db2.gz LHPWZYPDUXMUDC-SFHVURJKSA-N 2 1 329.488 3.168 20 0 EGADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258569280 1377117832 /nfs/dbraw/zinc/11/78/32/1377117832.db2.gz SOGMEXKKXWLLFO-HXUWFJFHSA-N 2 1 345.531 3.279 20 0 EGADMP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135585960 1377155707 /nfs/dbraw/zinc/15/57/07/1377155707.db2.gz VDHRHUWMJGCVIA-IAGOWNOFSA-N 2 1 336.524 3.460 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135679295 1377181416 /nfs/dbraw/zinc/18/14/16/1377181416.db2.gz LYHKRIMZYLSTPH-JKSUJKDBSA-N 2 1 336.524 3.281 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(C)(C)C ZINC001135680398 1377181611 /nfs/dbraw/zinc/18/16/11/1377181611.db2.gz VKRLWNXUUCVCFW-CVEARBPZSA-N 2 1 336.524 3.281 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CC1 ZINC001135690173 1377184390 /nfs/dbraw/zinc/18/43/90/1377184390.db2.gz FMEDCQQUBNSJHH-DLBZAZTESA-N 2 1 325.541 3.172 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C/Cl ZINC001135691521 1377184984 /nfs/dbraw/zinc/18/49/84/1377184984.db2.gz VTQFEMHGFCZJRX-UETGSQEOSA-N 2 1 331.932 3.124 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001266114417 1377192293 /nfs/dbraw/zinc/19/22/93/1377192293.db2.gz ZUYVTVCVJWJEME-IBGZPJMESA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001135718940 1377193661 /nfs/dbraw/zinc/19/36/61/1377193661.db2.gz VXPRBLFEYSIYKK-WOJBJXKFSA-N 2 1 343.515 3.060 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1ccc(C)cc1 ZINC001135860702 1377238077 /nfs/dbraw/zinc/23/80/77/1377238077.db2.gz GMGCYXXBUNOCHS-MOPGFXCFSA-N 2 1 347.547 3.142 20 0 EGADMP CCc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC)cc1 ZINC001135861665 1377238761 /nfs/dbraw/zinc/23/87/61/1377238761.db2.gz VFRUPGFEKATBFU-ZWKOTPCHSA-N 2 1 347.547 3.006 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001135861923 1377238784 /nfs/dbraw/zinc/23/87/84/1377238784.db2.gz YZEKFGJMGWDEOX-GJZGRUSLSA-N 2 1 347.494 3.027 20 0 EGADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001266245790 1377243831 /nfs/dbraw/zinc/24/38/31/1377243831.db2.gz GRKWGFJUPHSCFS-RTBURBONSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001266285435 1377259861 /nfs/dbraw/zinc/25/98/61/1377259861.db2.gz YIZQXISGHYXGRG-PBHICJAKSA-N 2 1 339.911 3.035 20 0 EGADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001266285435 1377259865 /nfs/dbraw/zinc/25/98/65/1377259865.db2.gz YIZQXISGHYXGRG-PBHICJAKSA-N 2 1 339.911 3.035 20 0 EGADMP C[NH+](C)CC1(C(=O)NCC[N@@H+](C)CC2CCCCC2)CCCCC1 ZINC001266301377 1377262473 /nfs/dbraw/zinc/26/24/73/1377262473.db2.gz NFQJIMUTMYASSI-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001135977274 1377284513 /nfs/dbraw/zinc/28/45/13/1377284513.db2.gz REOZLOLDAGVNHY-MSOLQXFVSA-N 2 1 333.520 3.018 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001135981069 1377286529 /nfs/dbraw/zinc/28/65/29/1377286529.db2.gz XFBQGQPKLYVQID-LSDHHAIUSA-N 2 1 347.494 3.027 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001327309415 1388494080 /nfs/dbraw/zinc/49/40/80/1388494080.db2.gz VKPFXGAFLCIODE-OALUTQOASA-N 2 1 337.552 3.077 20 0 EGADMP Cc1cccc2ncc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@H+]3C)n21 ZINC001137197661 1377494974 /nfs/dbraw/zinc/49/49/74/1377494974.db2.gz GCFSXAPACVZRMP-ROUUACIJSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1cccc2ncc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)n21 ZINC001137197661 1377494977 /nfs/dbraw/zinc/49/49/77/1377494977.db2.gz GCFSXAPACVZRMP-ROUUACIJSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1cccc2ncc(C[N@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)n21 ZINC001137197661 1377494980 /nfs/dbraw/zinc/49/49/80/1377494980.db2.gz GCFSXAPACVZRMP-ROUUACIJSA-N 2 1 326.488 3.482 20 0 EGADMP Cc1cccc2ncc(C[N@@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)n21 ZINC001137197661 1377494983 /nfs/dbraw/zinc/49/49/83/1377494983.db2.gz GCFSXAPACVZRMP-ROUUACIJSA-N 2 1 326.488 3.482 20 0 EGADMP COc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)n1 ZINC001137532075 1377561767 /nfs/dbraw/zinc/56/17/67/1377561767.db2.gz JKIDZVQBXQDJHT-UHFFFAOYSA-N 2 1 341.455 3.171 20 0 EGADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(F)c(Br)c1 ZINC001137559314 1377565383 /nfs/dbraw/zinc/56/53/83/1377565383.db2.gz LYCZIMOMRWOKAI-UHFFFAOYSA-N 2 1 326.213 3.307 20 0 EGADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1c[nH]c2c1cccc2Cl ZINC001138833774 1377793364 /nfs/dbraw/zinc/79/33/64/1377793364.db2.gz RWEQDEXWGIYPKK-ZWKOTPCHSA-N 2 1 346.906 3.032 20 0 EGADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001139100057 1377829730 /nfs/dbraw/zinc/82/97/30/1377829730.db2.gz PXNOJDVYBNAEDD-WOJBJXKFSA-N 2 1 338.499 3.371 20 0 EGADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cccc3c2ccn3C)CC1 ZINC001139158482 1377841596 /nfs/dbraw/zinc/84/15/96/1377841596.db2.gz BHVNLFWQDBEZSA-LJQANCHMSA-N 2 1 341.499 3.254 20 0 EGADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cccc3c2ccn3C)CC1 ZINC001139158482 1377841597 /nfs/dbraw/zinc/84/15/97/1377841597.db2.gz BHVNLFWQDBEZSA-LJQANCHMSA-N 2 1 341.499 3.254 20 0 EGADMP C[N@H+](Cc1ccc(=O)[nH]c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001139468161 1377889349 /nfs/dbraw/zinc/88/93/49/1377889349.db2.gz VPJKDKXDNWMTQS-UHFFFAOYSA-N 2 1 325.456 3.131 20 0 EGADMP O=c1ccc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)c[nH]1 ZINC001139469600 1377889523 /nfs/dbraw/zinc/88/95/23/1377889523.db2.gz ZFYNWVVQCXRSSZ-QEUVDIPISA-N 2 1 339.483 3.182 20 0 EGADMP O=c1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c[nH]1 ZINC001139469600 1377889529 /nfs/dbraw/zinc/88/95/29/1377889529.db2.gz ZFYNWVVQCXRSSZ-QEUVDIPISA-N 2 1 339.483 3.182 20 0 EGADMP O=c1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c[nH]1 ZINC001139469600 1377889534 /nfs/dbraw/zinc/88/95/34/1377889534.db2.gz ZFYNWVVQCXRSSZ-QEUVDIPISA-N 2 1 339.483 3.182 20 0 EGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2ncc(C(F)(F)F)cc12 ZINC001139538630 1377900497 /nfs/dbraw/zinc/90/04/97/1377900497.db2.gz SSGUPZRACXZZEZ-UHFFFAOYSA-N 2 1 340.393 3.499 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2ncc(C(F)(F)F)cc12 ZINC001139538630 1377900498 /nfs/dbraw/zinc/90/04/98/1377900498.db2.gz SSGUPZRACXZZEZ-UHFFFAOYSA-N 2 1 340.393 3.499 20 0 EGADMP Cc1cc(O)cc(C)c1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001139710630 1377938753 /nfs/dbraw/zinc/93/87/53/1377938753.db2.gz UVHCVRRPEGZMIB-OAQYLSRUSA-N 2 1 346.515 3.332 20 0 EGADMP Cc1cc(O)cc(C)c1C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001139710630 1377938757 /nfs/dbraw/zinc/93/87/57/1377938757.db2.gz UVHCVRRPEGZMIB-OAQYLSRUSA-N 2 1 346.515 3.332 20 0 EGADMP Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001139710630 1377938761 /nfs/dbraw/zinc/93/87/61/1377938761.db2.gz UVHCVRRPEGZMIB-OAQYLSRUSA-N 2 1 346.515 3.332 20 0 EGADMP Cc1cc(O)cc(C)c1C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001139710630 1377938763 /nfs/dbraw/zinc/93/87/63/1377938763.db2.gz UVHCVRRPEGZMIB-OAQYLSRUSA-N 2 1 346.515 3.332 20 0 EGADMP COc1ccc(-c2ncc(CN3CC[C@]4(CC[N@@H+](C)C4)C3)s2)cc1 ZINC001139794476 1377951193 /nfs/dbraw/zinc/95/11/93/1377951193.db2.gz FQBIAHYFMQYLFQ-IBGZPJMESA-N 2 1 343.496 3.346 20 0 EGADMP Cn1ncc2cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc21 ZINC001139951524 1377981652 /nfs/dbraw/zinc/98/16/52/1377981652.db2.gz YGBUOGIGQLTVFW-SFTDATJTSA-N 2 1 346.478 3.137 20 0 EGADMP c1[nH]nc2ccc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)cc12 ZINC001140386594 1378055310 /nfs/dbraw/zinc/05/53/10/1378055310.db2.gz SVESRFXQKOAFOB-BGYRXZFFSA-N 2 1 332.451 3.127 20 0 EGADMP c1[nH]nc2ccc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)cc12 ZINC001140386594 1378055311 /nfs/dbraw/zinc/05/53/11/1378055311.db2.gz SVESRFXQKOAFOB-BGYRXZFFSA-N 2 1 332.451 3.127 20 0 EGADMP c1[nH]nc2ccc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc12 ZINC001140386594 1378055312 /nfs/dbraw/zinc/05/53/12/1378055312.db2.gz SVESRFXQKOAFOB-BGYRXZFFSA-N 2 1 332.451 3.127 20 0 EGADMP c1[nH]nc2ccc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc12 ZINC001140386594 1378055313 /nfs/dbraw/zinc/05/53/13/1378055313.db2.gz SVESRFXQKOAFOB-BGYRXZFFSA-N 2 1 332.451 3.127 20 0 EGADMP C[NH+]1CCN(C2CC[NH+](Cc3c[nH]c4cccc(Cl)c34)CC2)CC1 ZINC001140436914 1378062815 /nfs/dbraw/zinc/06/28/15/1378062815.db2.gz VEPGNSJEAQKFFK-UHFFFAOYSA-N 2 1 346.906 3.033 20 0 EGADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1OCC1CC1 ZINC001140491046 1378071687 /nfs/dbraw/zinc/07/16/87/1378071687.db2.gz MHVUJWSGDLFVPQ-UHFFFAOYSA-N 2 1 344.499 3.402 20 0 EGADMP CC1CC(C[N@H+](C)CCCN(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001273591619 1378105141 /nfs/dbraw/zinc/10/51/41/1378105141.db2.gz YCNVABNFHZXXIC-AFMYVXGZSA-N 2 1 345.531 3.116 20 0 EGADMP CC1CC(C[N@@H+](C)CCCN(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001273591619 1378105145 /nfs/dbraw/zinc/10/51/45/1378105145.db2.gz YCNVABNFHZXXIC-AFMYVXGZSA-N 2 1 345.531 3.116 20 0 EGADMP Cc1cc(F)ccc1CN1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001140777789 1378134234 /nfs/dbraw/zinc/13/42/34/1378134234.db2.gz FWOJZHFRERAQIY-HDICACEKSA-N 2 1 325.431 3.093 20 0 EGADMP Cc1cccc(C[N@H+](C)C[C@H](C)NC(=O)CCC[NH+]2CCCCC2)c1 ZINC001275722047 1378152910 /nfs/dbraw/zinc/15/29/10/1378152910.db2.gz ZFTOVNSGGUDBQM-IBGZPJMESA-N 2 1 345.531 3.198 20 0 EGADMP Oc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)cc1 ZINC001275892279 1378161604 /nfs/dbraw/zinc/16/16/04/1378161604.db2.gz RBAJOCGACIWZIA-UHFFFAOYSA-N 2 1 325.456 3.208 20 0 EGADMP CS[C@H](C)CC[NH+]1CCC2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001276470933 1378174226 /nfs/dbraw/zinc/17/42/26/1378174226.db2.gz UPHFGXOYLSLPIU-MRXNPFEDSA-N 2 1 349.544 3.217 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)CC1 ZINC001276492809 1378175872 /nfs/dbraw/zinc/17/58/72/1378175872.db2.gz ZKCYSAPPMUJJTF-DLBZAZTESA-N 2 1 347.469 3.067 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001140972825 1378195541 /nfs/dbraw/zinc/19/55/41/1378195541.db2.gz AMXCFLMQCIYAMR-INIZCTEOSA-N 2 1 341.421 3.213 20 0 EGADMP CC1CC(C[N@@H+](CCNC(=O)[C@@H]2CC[NH+](C)C2)C2CCCCCC2)C1 ZINC001277382100 1378220497 /nfs/dbraw/zinc/22/04/97/1378220497.db2.gz GEMFYLKDONMFDY-CTWPCTMYSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CC(C[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C2CCCCCC2)C1 ZINC001277382100 1378220503 /nfs/dbraw/zinc/22/05/03/1378220503.db2.gz GEMFYLKDONMFDY-CTWPCTMYSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CC(C[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CCCCCC2)C1 ZINC001277382100 1378220512 /nfs/dbraw/zinc/22/05/12/1378220512.db2.gz GEMFYLKDONMFDY-CTWPCTMYSA-N 2 1 349.563 3.125 20 0 EGADMP COC(C)(C)C[N@@H+]1C[C@@H]2CC[NH+](Cc3scnc3C)CC[C@@H]2C1 ZINC001277584400 1378235022 /nfs/dbraw/zinc/23/50/22/1378235022.db2.gz ISHLVOJGGAHDAH-IYBDPMFKSA-N 2 1 337.533 3.020 20 0 EGADMP COC(C)(C)C[NH+]1C[C@@H]2CC[N@@H+](Cc3scnc3C)CC[C@@H]2C1 ZINC001277584400 1378235026 /nfs/dbraw/zinc/23/50/26/1378235026.db2.gz ISHLVOJGGAHDAH-IYBDPMFKSA-N 2 1 337.533 3.020 20 0 EGADMP COC(C)(C)C[NH+]1C[C@@H]2CC[N@H+](Cc3scnc3C)CC[C@@H]2C1 ZINC001277584400 1378235031 /nfs/dbraw/zinc/23/50/31/1378235031.db2.gz ISHLVOJGGAHDAH-IYBDPMFKSA-N 2 1 337.533 3.020 20 0 EGADMP COc1ccc(C(F)(F)F)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001141202711 1378266791 /nfs/dbraw/zinc/26/67/91/1378266791.db2.gz RNWUMGLIHPADOB-UHFFFAOYSA-N 2 1 330.394 3.488 20 0 EGADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3cccc(N(C)C)c3)C2)C1 ZINC001141259591 1378285865 /nfs/dbraw/zinc/28/58/65/1378285865.db2.gz XLHOQPNAFRRAMU-NRFANRHFSA-N 2 1 345.531 3.075 20 0 EGADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3cccc(N(C)C)c3)C2)C1 ZINC001141259591 1378285866 /nfs/dbraw/zinc/28/58/66/1378285866.db2.gz XLHOQPNAFRRAMU-NRFANRHFSA-N 2 1 345.531 3.075 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3cccc(N(C)C)c3)C2)C1 ZINC001141259591 1378285869 /nfs/dbraw/zinc/28/58/69/1378285869.db2.gz XLHOQPNAFRRAMU-NRFANRHFSA-N 2 1 345.531 3.075 20 0 EGADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3cccc(N(C)C)c3)C2)C1 ZINC001141259591 1378285873 /nfs/dbraw/zinc/28/58/73/1378285873.db2.gz XLHOQPNAFRRAMU-NRFANRHFSA-N 2 1 345.531 3.075 20 0 EGADMP Cn1cc2c(cccc2C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001142464994 1378444841 /nfs/dbraw/zinc/44/48/41/1378444841.db2.gz JXZURLYXDAVUNC-ROUUACIJSA-N 2 1 326.488 3.412 20 0 EGADMP Cn1cc2c(cccc2C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)n1 ZINC001142464994 1378444847 /nfs/dbraw/zinc/44/48/47/1378444847.db2.gz JXZURLYXDAVUNC-ROUUACIJSA-N 2 1 326.488 3.412 20 0 EGADMP Cn1cc2c(cccc2C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)n1 ZINC001142464994 1378444850 /nfs/dbraw/zinc/44/48/50/1378444850.db2.gz JXZURLYXDAVUNC-ROUUACIJSA-N 2 1 326.488 3.412 20 0 EGADMP C[N@H+]1CC[C@@]2(CCN(Cc3nccnc3-c3ccc(Cl)cc3)C2)C1 ZINC001142978377 1378521321 /nfs/dbraw/zinc/52/13/21/1378521321.db2.gz PVERCMRPKXHJKO-LJQANCHMSA-N 2 1 342.874 3.325 20 0 EGADMP C[C@H](CCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001283222580 1378764923 /nfs/dbraw/zinc/76/49/23/1378764923.db2.gz SLXLRBAJFCXGGF-MJGOQNOKSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001146592685 1378873469 /nfs/dbraw/zinc/87/34/69/1378873469.db2.gz KKNUOHGEIWFFIC-CVEARBPZSA-N 2 1 345.487 3.146 20 0 EGADMP Cc1cccc(C)c1C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146594476 1378874887 /nfs/dbraw/zinc/87/48/87/1378874887.db2.gz SXYAHQQTJAQAHW-MSOLQXFVSA-N 2 1 333.520 3.017 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001146594826 1378874930 /nfs/dbraw/zinc/87/49/30/1378874930.db2.gz VFSZOQIIOPKRFE-LSDHHAIUSA-N 2 1 339.911 3.053 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001146601621 1378876134 /nfs/dbraw/zinc/87/61/34/1378876134.db2.gz MWLQIYFJOVFYIK-SJORKVTESA-N 2 1 345.531 3.277 20 0 EGADMP CC/C=C\CC[N@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc2C1 ZINC001327686283 1388582429 /nfs/dbraw/zinc/58/24/29/1388582429.db2.gz YSGWQODGFKYBBS-WHXUGTBJSA-N 2 1 343.515 3.315 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C)cc1C ZINC001147358555 1379008341 /nfs/dbraw/zinc/00/83/41/1379008341.db2.gz GTIGITRUDMMTNF-FQEVSTJZSA-N 2 1 345.531 3.164 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1ccccc1F ZINC001147359181 1379008537 /nfs/dbraw/zinc/00/85/37/1379008537.db2.gz NGDDQJYJXDGUDY-QFBILLFUSA-N 2 1 349.494 3.247 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147741994 1379070427 /nfs/dbraw/zinc/07/04/27/1379070427.db2.gz CRDUWJOFKXZLAY-UEKDZROGSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001147741994 1379070431 /nfs/dbraw/zinc/07/04/31/1379070431.db2.gz CRDUWJOFKXZLAY-UEKDZROGSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001147741994 1379070434 /nfs/dbraw/zinc/07/04/34/1379070434.db2.gz CRDUWJOFKXZLAY-UEKDZROGSA-N 2 1 347.547 3.142 20 0 EGADMP CCCCCC[N@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147985409 1379103208 /nfs/dbraw/zinc/10/32/08/1379103208.db2.gz GCCWMGWMULFGQE-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001148017576 1379106576 /nfs/dbraw/zinc/10/65/76/1379106576.db2.gz TUAFYQQLYRKQIN-VOTSOKGWSA-N 2 1 347.547 3.142 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001283705646 1379131556 /nfs/dbraw/zinc/13/15/56/1379131556.db2.gz URDBODUPOFALTR-DLBZAZTESA-N 2 1 345.531 3.015 20 0 EGADMP CC(C)CCC[N@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148899828 1379293959 /nfs/dbraw/zinc/29/39/59/1379293959.db2.gz GTLPNBDMIKPBHZ-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001149387296 1379374665 /nfs/dbraw/zinc/37/46/65/1379374665.db2.gz SOAVSHKMCJWFEG-LJQANCHMSA-N 2 1 345.531 3.087 20 0 EGADMP CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001149387296 1379374668 /nfs/dbraw/zinc/37/46/68/1379374668.db2.gz SOAVSHKMCJWFEG-LJQANCHMSA-N 2 1 345.531 3.087 20 0 EGADMP CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001149387296 1379374674 /nfs/dbraw/zinc/37/46/74/1379374674.db2.gz SOAVSHKMCJWFEG-LJQANCHMSA-N 2 1 345.531 3.087 20 0 EGADMP CC[N@@H+](Cc1c(C)cc(C)cc1C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152386976 1379925019 /nfs/dbraw/zinc/92/50/19/1379925019.db2.gz VLDDYJMDCLAIQF-QUCCMNQESA-N 2 1 345.531 3.033 20 0 EGADMP CC[NH+](Cc1c(C)cc(C)cc1C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152386976 1379925023 /nfs/dbraw/zinc/92/50/23/1379925023.db2.gz VLDDYJMDCLAIQF-QUCCMNQESA-N 2 1 345.531 3.033 20 0 EGADMP CC[NH+](Cc1c(C)cc(C)cc1C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152386976 1379925026 /nfs/dbraw/zinc/92/50/26/1379925026.db2.gz VLDDYJMDCLAIQF-QUCCMNQESA-N 2 1 345.531 3.033 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001153501694 1380085759 /nfs/dbraw/zinc/08/57/59/1380085759.db2.gz RDWDCJRXSLQDQP-JSSFBXOYSA-N 2 1 337.552 3.290 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001153501694 1380085761 /nfs/dbraw/zinc/08/57/61/1380085761.db2.gz RDWDCJRXSLQDQP-JSSFBXOYSA-N 2 1 337.552 3.290 20 0 EGADMP CCC/C=C\CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001153501694 1380085764 /nfs/dbraw/zinc/08/57/64/1380085764.db2.gz RDWDCJRXSLQDQP-JSSFBXOYSA-N 2 1 337.552 3.290 20 0 EGADMP CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153819093 1380136141 /nfs/dbraw/zinc/13/61/41/1380136141.db2.gz NEMVEOJCKGTCPF-QUCCMNQESA-N 2 1 345.531 3.276 20 0 EGADMP CC[NH+](Cc1ccccc1)[C@H](C)CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001153819093 1380136142 /nfs/dbraw/zinc/13/61/42/1380136142.db2.gz NEMVEOJCKGTCPF-QUCCMNQESA-N 2 1 345.531 3.276 20 0 EGADMP CC[NH+](Cc1ccccc1)[C@H](C)CNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001153819093 1380136143 /nfs/dbraw/zinc/13/61/43/1380136143.db2.gz NEMVEOJCKGTCPF-QUCCMNQESA-N 2 1 345.531 3.276 20 0 EGADMP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930622 1380157028 /nfs/dbraw/zinc/15/70/28/1380157028.db2.gz ULRCXLNEAZIMIZ-MJGOQNOKSA-N 2 1 339.568 3.370 20 0 EGADMP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930490 1380157301 /nfs/dbraw/zinc/15/73/01/1380157301.db2.gz MVQUWCVGNHBFKN-HGFSOSMJSA-N 2 1 325.541 3.146 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(Cl)c1)[NH+](C)C ZINC001153998480 1380175130 /nfs/dbraw/zinc/17/51/30/1380175130.db2.gz SQEDOWFERIAEJX-RHSMWYFYSA-N 2 1 339.911 3.007 20 0 EGADMP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154347836 1380261282 /nfs/dbraw/zinc/26/12/82/1380261282.db2.gz MBUVCAKJFXKBGQ-OAHLLOKOSA-N 2 1 342.487 3.211 20 0 EGADMP CC[C@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154480629 1380285765 /nfs/dbraw/zinc/28/57/65/1380285765.db2.gz BEHXOUCMFRKVEA-ZWKOTPCHSA-N 2 1 339.568 3.371 20 0 EGADMP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876377 1380370905 /nfs/dbraw/zinc/37/09/05/1380370905.db2.gz OLOYJVYHGKWCBU-CRAIPNDOSA-N 2 1 348.535 3.017 20 0 EGADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876377 1380370909 /nfs/dbraw/zinc/37/09/09/1380370909.db2.gz OLOYJVYHGKWCBU-CRAIPNDOSA-N 2 1 348.535 3.017 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(C)c1)[NH+](CC)CC ZINC001155175604 1380419759 /nfs/dbraw/zinc/41/97/59/1380419759.db2.gz ZHXXSBLNJJHKNM-QUCCMNQESA-N 2 1 347.547 3.442 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCCCF)[NH+](CC)CC ZINC001155180471 1380420238 /nfs/dbraw/zinc/42/02/38/1380420238.db2.gz AHNBKJWFTLQYHC-IAGOWNOFSA-N 2 1 331.520 3.073 20 0 EGADMP CC[N@@H+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226418 1380426390 /nfs/dbraw/zinc/42/63/90/1380426390.db2.gz LDBOQLMQRXOGDA-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155226418 1380426391 /nfs/dbraw/zinc/42/63/91/1380426391.db2.gz LDBOQLMQRXOGDA-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1c(C)cccc1C)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155226418 1380426392 /nfs/dbraw/zinc/42/63/92/1380426392.db2.gz LDBOQLMQRXOGDA-RTBURBONSA-N 2 1 345.531 3.114 20 0 EGADMP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001155237918 1380427970 /nfs/dbraw/zinc/42/79/70/1380427970.db2.gz PZSLWPYBZLIMOU-VQIMIIECSA-N 2 1 343.531 3.216 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001155237918 1380427972 /nfs/dbraw/zinc/42/79/72/1380427972.db2.gz PZSLWPYBZLIMOU-VQIMIIECSA-N 2 1 343.531 3.216 20 0 EGADMP CCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001155237918 1380427973 /nfs/dbraw/zinc/42/79/73/1380427973.db2.gz PZSLWPYBZLIMOU-VQIMIIECSA-N 2 1 343.531 3.216 20 0 EGADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155249199 1380429054 /nfs/dbraw/zinc/42/90/54/1380429054.db2.gz INWOTGNZQGQCGR-GOSISDBHSA-N 2 1 345.531 3.197 20 0 EGADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001155255577 1380429456 /nfs/dbraw/zinc/42/94/56/1380429456.db2.gz UNPHYDYXJUVWRV-LJQANCHMSA-N 2 1 347.547 3.034 20 0 EGADMP CC[NH+](CCC(C)C)[C@H](C)CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001155255577 1380429457 /nfs/dbraw/zinc/42/94/57/1380429457.db2.gz UNPHYDYXJUVWRV-LJQANCHMSA-N 2 1 347.547 3.034 20 0 EGADMP CC[NH+](CCC(C)C)[C@H](C)CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001155255577 1380429458 /nfs/dbraw/zinc/42/94/58/1380429458.db2.gz UNPHYDYXJUVWRV-LJQANCHMSA-N 2 1 347.547 3.034 20 0 EGADMP Cc1cccc2cc(Cl)nc(N3CCC[C@@H]([NH+]4CC(C[NH3+])C4)C3)c12 ZINC001155382043 1380444153 /nfs/dbraw/zinc/44/41/53/1380444153.db2.gz KQBHDSOAMFWBKT-MRXNPFEDSA-N 2 1 344.890 3.056 20 0 EGADMP Cc1ccc2c(c1)[C@H](Nc1[nH+]cnc3c1ccn3C)CC21CC[NH2+]CC1 ZINC001155431795 1380452061 /nfs/dbraw/zinc/45/20/61/1380452061.db2.gz XHPBWYHSEGZVCH-GOSISDBHSA-N 2 1 347.466 3.455 20 0 EGADMP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155558741 1380467916 /nfs/dbraw/zinc/46/79/16/1380467916.db2.gz FFSQMXAGISHCAM-XZVRFQMRSA-N 2 1 334.508 3.189 20 0 EGADMP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155558741 1380467917 /nfs/dbraw/zinc/46/79/17/1380467917.db2.gz FFSQMXAGISHCAM-XZVRFQMRSA-N 2 1 334.508 3.189 20 0 EGADMP CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001155619994 1380474779 /nfs/dbraw/zinc/47/47/79/1380474779.db2.gz FKNUQOWEOSWLOZ-QZTJIDSGSA-N 2 1 343.531 3.216 20 0 EGADMP CC[NH+](CCCCCF)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001155619994 1380474781 /nfs/dbraw/zinc/47/47/81/1380474781.db2.gz FKNUQOWEOSWLOZ-QZTJIDSGSA-N 2 1 343.531 3.216 20 0 EGADMP CC[NH+](CCCCCF)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001155619994 1380474783 /nfs/dbraw/zinc/47/47/83/1380474783.db2.gz FKNUQOWEOSWLOZ-QZTJIDSGSA-N 2 1 343.531 3.216 20 0 EGADMP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131373 1380529660 /nfs/dbraw/zinc/52/96/60/1380529660.db2.gz NHZSYPWVMIPMAF-GOSISDBHSA-N 2 1 349.563 3.434 20 0 EGADMP CN(C)c1cccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[nH+]1 ZINC001156315197 1380556675 /nfs/dbraw/zinc/55/66/75/1380556675.db2.gz LENLVMBBEAEFAC-CEXWTWQISA-N 2 1 336.483 3.470 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4ccc5c(n4)CC[NH2+]C5)[C@H]3C2)cc1 ZINC001156313811 1380556834 /nfs/dbraw/zinc/55/68/34/1380556834.db2.gz CIZNURKLJFPTGE-ZJOUEHCJSA-N 2 1 348.494 3.050 20 0 EGADMP Cc1cnc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(C[NH3+])c1 ZINC001156317735 1380557287 /nfs/dbraw/zinc/55/72/87/1380557287.db2.gz NEWXXAJVIJTGFG-DFQSSKMNSA-N 2 1 336.483 3.171 20 0 EGADMP CC[N@@H+](CC1CCC(C)CC1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156476043 1380581014 /nfs/dbraw/zinc/58/10/14/1380581014.db2.gz ZNGIHEGFLFBIMF-JLAWEPINSA-N 2 1 339.568 3.371 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)Cc1cccc(Cl)c1 ZINC001156525699 1380588002 /nfs/dbraw/zinc/58/80/02/1380588002.db2.gz VEGIFIKMBXUQCM-OAHLLOKOSA-N 2 1 339.911 3.008 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1cccc(Cl)c1 ZINC001156525699 1380588003 /nfs/dbraw/zinc/58/80/03/1380588003.db2.gz VEGIFIKMBXUQCM-OAHLLOKOSA-N 2 1 339.911 3.008 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(Cl)c1 ZINC001156525699 1380588004 /nfs/dbraw/zinc/58/80/04/1380588004.db2.gz VEGIFIKMBXUQCM-OAHLLOKOSA-N 2 1 339.911 3.008 20 0 EGADMP CC[N@H+]1CCCC[C@H]1c1ccc(-n2ccc3cc(C[NH3+])cnc32)nc1 ZINC001156609052 1380599662 /nfs/dbraw/zinc/59/96/62/1380599662.db2.gz LULPSJSZJLTDNS-SFHVURJKSA-N 2 1 335.455 3.426 20 0 EGADMP CC[N@@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098406 1380775237 /nfs/dbraw/zinc/77/52/37/1380775237.db2.gz DNVMBKRAYBRPOG-GOSISDBHSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157118981 1380780230 /nfs/dbraw/zinc/78/02/30/1380780230.db2.gz QRCMXSCUEDCABN-QZTJIDSGSA-N 2 1 343.531 3.073 20 0 EGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(-n2cc3c(n2)CC[C@H]([NH3+])C3)nc1 ZINC001157987731 1381094678 /nfs/dbraw/zinc/09/46/78/1381094678.db2.gz PYNJGNGDXKCHGV-HKUYNNGSSA-N 2 1 339.487 3.020 20 0 EGADMP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001158030290 1381108135 /nfs/dbraw/zinc/10/81/35/1381108135.db2.gz UOKLKCLFLHGFCA-MSOLQXFVSA-N 2 1 343.531 3.169 20 0 EGADMP O=C(NCCC[NH2+]CCCC1CCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158097753 1381126763 /nfs/dbraw/zinc/12/67/63/1381126763.db2.gz DQOAPSXYZMDVOX-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP Cc1c[nH+]c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)nc1N1CCCC1 ZINC001158260120 1381177040 /nfs/dbraw/zinc/17/70/40/1381177040.db2.gz VGDAACDKPQJAAR-KXBFYZLASA-N 2 1 331.508 3.341 20 0 EGADMP CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001158289311 1381186282 /nfs/dbraw/zinc/18/62/82/1381186282.db2.gz CLOBQKSIPAQSEO-WOJBJXKFSA-N 2 1 347.547 3.140 20 0 EGADMP CC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158329517 1381203014 /nfs/dbraw/zinc/20/30/14/1381203014.db2.gz PGSZUHPIOWELBX-WYNBNGFRSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001158329517 1381203017 /nfs/dbraw/zinc/20/30/17/1381203017.db2.gz PGSZUHPIOWELBX-WYNBNGFRSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001158329517 1381203023 /nfs/dbraw/zinc/20/30/23/1381203023.db2.gz PGSZUHPIOWELBX-WYNBNGFRSA-N 2 1 335.536 3.140 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001158353907 1381213365 /nfs/dbraw/zinc/21/33/65/1381213365.db2.gz ACKFJGDKPYZHFA-KRWDZBQOSA-N 2 1 348.535 3.463 20 0 EGADMP CCC/C=C\CC[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001158353922 1381213529 /nfs/dbraw/zinc/21/35/29/1381213529.db2.gz ALFRPHMPICNGOM-ZPUOCTKUSA-N 2 1 334.508 3.239 20 0 EGADMP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158434965 1381246145 /nfs/dbraw/zinc/24/61/45/1381246145.db2.gz QECFCXJNOBDIFD-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H]1C ZINC001158473915 1381256252 /nfs/dbraw/zinc/25/62/52/1381256252.db2.gz QEGFABPCMYESGT-OBNUAKFSSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001158473915 1381256256 /nfs/dbraw/zinc/25/62/56/1381256256.db2.gz QEGFABPCMYESGT-OBNUAKFSSA-N 2 1 335.536 3.140 20 0 EGADMP CC/C=C/CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC001158473915 1381256263 /nfs/dbraw/zinc/25/62/63/1381256263.db2.gz QEGFABPCMYESGT-OBNUAKFSSA-N 2 1 335.536 3.140 20 0 EGADMP CC[C@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001158555655 1381295727 /nfs/dbraw/zinc/29/57/27/1381295727.db2.gz WJCWZJREDAYIEP-PKOBYXMFSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1cc2ccccc2c(N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)[nH+]1 ZINC001158581864 1381309691 /nfs/dbraw/zinc/30/96/91/1381309691.db2.gz ZMPSQSBAQYFYMJ-UHFFFAOYSA-N 3 1 338.499 3.196 20 0 EGADMP C[N@@H+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158751533 1381382245 /nfs/dbraw/zinc/38/22/45/1381382245.db2.gz WLVQKWVYVZIPES-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001158751533 1381382251 /nfs/dbraw/zinc/38/22/51/1381382251.db2.gz WLVQKWVYVZIPES-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001158751533 1381382258 /nfs/dbraw/zinc/38/22/58/1381382258.db2.gz WLVQKWVYVZIPES-VQTJNVASSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)Cc1cccc(C)c1 ZINC001158773543 1381392883 /nfs/dbraw/zinc/39/28/83/1381392883.db2.gz QLHCKYXGALOCFS-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cccc(C)c1 ZINC001158773543 1381392892 /nfs/dbraw/zinc/39/28/92/1381392892.db2.gz QLHCKYXGALOCFS-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cccc(C)c1 ZINC001158773543 1381392904 /nfs/dbraw/zinc/39/29/04/1381392904.db2.gz QLHCKYXGALOCFS-HXUWFJFHSA-N 2 1 345.531 3.150 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CCC(C)(C)C ZINC001158782070 1381397529 /nfs/dbraw/zinc/39/75/29/1381397529.db2.gz ZZGFBECUGCAUFM-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)(C)C ZINC001158782070 1381397535 /nfs/dbraw/zinc/39/75/35/1381397535.db2.gz ZZGFBECUGCAUFM-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)(C)C ZINC001158782070 1381397536 /nfs/dbraw/zinc/39/75/36/1381397536.db2.gz ZZGFBECUGCAUFM-GOSISDBHSA-N 2 1 339.568 3.467 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)[C@H](C)c1ccccc1 ZINC001158922617 1381465188 /nfs/dbraw/zinc/46/51/88/1381465188.db2.gz FWAAFBMPZHYVBY-UYAOXDASSA-N 2 1 345.531 3.401 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1ccccc1 ZINC001158922617 1381465194 /nfs/dbraw/zinc/46/51/94/1381465194.db2.gz FWAAFBMPZHYVBY-UYAOXDASSA-N 2 1 345.531 3.401 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC001158922617 1381465199 /nfs/dbraw/zinc/46/51/99/1381465199.db2.gz FWAAFBMPZHYVBY-UYAOXDASSA-N 2 1 345.531 3.401 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C(C)C ZINC001159335002 1381768146 /nfs/dbraw/zinc/76/81/46/1381768146.db2.gz OJDNUNGXWQUXPV-FQEVSTJZSA-N 2 1 345.531 3.280 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+][C@H]1CCc2ccccc21 ZINC001159911529 1381935136 /nfs/dbraw/zinc/93/51/36/1381935136.db2.gz ZVDAOOSVQHYZLD-QUCCMNQESA-N 2 1 343.515 3.033 20 0 EGADMP O=C(NCCC[NH2+]CC1CCCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159923407 1381938635 /nfs/dbraw/zinc/93/86/35/1381938635.db2.gz FBJANZYTMBSPLX-IBGZPJMESA-N 2 1 335.536 3.070 20 0 EGADMP Cc1cc(Nc2ccc(Br)c3c2C[NH2+]CC3)c[nH+]c1N ZINC001159942527 1381943506 /nfs/dbraw/zinc/94/35/06/1381943506.db2.gz DDCXVQDDSCYWKZ-UHFFFAOYSA-N 2 1 333.233 3.124 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccccc1N1CCC[C@@H]([NH3+])C1 ZINC001159978878 1381956734 /nfs/dbraw/zinc/95/67/34/1381956734.db2.gz ZYLCPOIPWCJSAI-OAHLLOKOSA-N 2 1 325.460 3.127 20 0 EGADMP Cc1cc(N(C)C)[nH+]cc1Nc1cccc(F)c1N1CCC([NH3+])CC1 ZINC001160108874 1381999671 /nfs/dbraw/zinc/99/96/71/1381999671.db2.gz VBMWYLAEEYBRQS-UHFFFAOYSA-N 2 1 343.450 3.266 20 0 EGADMP CC(C)(C(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1)[NH+]1CCCCC1 ZINC001160125474 1382005190 /nfs/dbraw/zinc/00/51/90/1382005190.db2.gz HSCPLESDJORQPW-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001160273798 1382058290 /nfs/dbraw/zinc/05/82/90/1382058290.db2.gz OGLNLVLNJGEUBI-ITJCZCKWSA-N 2 1 343.515 3.060 20 0 EGADMP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160359782 1382082512 /nfs/dbraw/zinc/08/25/12/1382082512.db2.gz ALZPKYDIDXKNPI-ROUKRRSUSA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)C[N@@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360082 1382083168 /nfs/dbraw/zinc/08/31/68/1382083168.db2.gz IJSBUDVNGHUGKG-LJQANCHMSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)C[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160360082 1382083170 /nfs/dbraw/zinc/08/31/70/1382083170.db2.gz IJSBUDVNGHUGKG-LJQANCHMSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)C[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160360082 1382083175 /nfs/dbraw/zinc/08/31/75/1382083175.db2.gz IJSBUDVNGHUGKG-LJQANCHMSA-N 2 1 335.536 3.044 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001160499607 1382123811 /nfs/dbraw/zinc/12/38/11/1382123811.db2.gz FCHKUQIDKLRWOO-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001160499607 1382123812 /nfs/dbraw/zinc/12/38/12/1382123812.db2.gz FCHKUQIDKLRWOO-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC2CCCCC2)CC1 ZINC001160499607 1382123814 /nfs/dbraw/zinc/12/38/14/1382123814.db2.gz FCHKUQIDKLRWOO-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567587 1382144871 /nfs/dbraw/zinc/14/48/71/1382144871.db2.gz GHTUFUBXMSXWLB-ICSRJNTNSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160567587 1382144874 /nfs/dbraw/zinc/14/48/74/1382144874.db2.gz GHTUFUBXMSXWLB-ICSRJNTNSA-N 2 1 349.563 3.291 20 0 EGADMP CC[C@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160567587 1382144876 /nfs/dbraw/zinc/14/48/76/1382144876.db2.gz GHTUFUBXMSXWLB-ICSRJNTNSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)(C)CC[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160593397 1382149338 /nfs/dbraw/zinc/14/93/38/1382149338.db2.gz QXEMJSNJCDEKHQ-UHFFFAOYSA-N 2 1 347.547 3.189 20 0 EGADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001292810758 1382215787 /nfs/dbraw/zinc/21/57/87/1382215787.db2.gz SSLTZYHEVZJKIW-SFHVURJKSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001292810758 1382215793 /nfs/dbraw/zinc/21/57/93/1382215793.db2.gz SSLTZYHEVZJKIW-SFHVURJKSA-N 2 1 349.563 3.364 20 0 EGADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001292810758 1382215794 /nfs/dbraw/zinc/21/57/94/1382215794.db2.gz SSLTZYHEVZJKIW-SFHVURJKSA-N 2 1 349.563 3.364 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986388 1382262375 /nfs/dbraw/zinc/26/23/75/1382262375.db2.gz RYXCDAJEDFYBSU-HXUWFJFHSA-N 2 1 349.563 3.437 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001160986388 1382262379 /nfs/dbraw/zinc/26/23/79/1382262379.db2.gz RYXCDAJEDFYBSU-HXUWFJFHSA-N 2 1 349.563 3.437 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001160986388 1382262384 /nfs/dbraw/zinc/26/23/84/1382262384.db2.gz RYXCDAJEDFYBSU-HXUWFJFHSA-N 2 1 349.563 3.437 20 0 EGADMP C[NH+](C)CCCC(=O)NCCC1=CC[N@@H+](CCC2CCCC2)CC1 ZINC001161036498 1382278753 /nfs/dbraw/zinc/27/87/53/1382278753.db2.gz LMAPHKLSMVGSFD-UHFFFAOYSA-N 2 1 335.536 3.047 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+]2CC=C(CCNC(=O)CC[NH+](C)C)CC2)c1 ZINC001161107125 1382299424 /nfs/dbraw/zinc/29/94/24/1382299424.db2.gz ZNCFOVIANHISBA-GOSISDBHSA-N 2 1 343.515 3.146 20 0 EGADMP CC(C)(C)C[NH+]1CCC(Nc2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC001161209025 1382342631 /nfs/dbraw/zinc/34/26/31/1382342631.db2.gz UZWKIBVDBKXFSW-UHFFFAOYSA-N 2 1 331.508 3.389 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@@H](C)c1ccccc1Cl ZINC001161245707 1382353390 /nfs/dbraw/zinc/35/33/90/1382353390.db2.gz QDHMCLKNIQZCOM-AWEZNQCLSA-N 2 1 339.911 3.227 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC1=CC[NH+](CC2CC2)CC1 ZINC001161678303 1382478004 /nfs/dbraw/zinc/47/80/04/1382478004.db2.gz DVIFLXDDZYNRSB-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC2CC2)CC1 ZINC001161678303 1382478007 /nfs/dbraw/zinc/47/80/07/1382478007.db2.gz DVIFLXDDZYNRSB-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC2CC2)CC1 ZINC001161678303 1382478010 /nfs/dbraw/zinc/47/80/10/1382478010.db2.gz DVIFLXDDZYNRSB-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[N@@H+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001161683013 1382480155 /nfs/dbraw/zinc/48/01/55/1382480155.db2.gz IHSUUZLHQRZAOP-FQEVSTJZSA-N 2 1 343.515 3.228 20 0 EGADMP CCC[NH+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001161683013 1382480159 /nfs/dbraw/zinc/48/01/59/1382480159.db2.gz IHSUUZLHQRZAOP-FQEVSTJZSA-N 2 1 343.515 3.228 20 0 EGADMP CCC[NH+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001161683013 1382480161 /nfs/dbraw/zinc/48/01/61/1382480161.db2.gz IHSUUZLHQRZAOP-FQEVSTJZSA-N 2 1 343.515 3.228 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161705503 1382485904 /nfs/dbraw/zinc/48/59/04/1382485904.db2.gz ULVDJBZJQLHKTE-QUCCMNQESA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161705503 1382485906 /nfs/dbraw/zinc/48/59/06/1382485906.db2.gz ULVDJBZJQLHKTE-QUCCMNQESA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161705503 1382485909 /nfs/dbraw/zinc/48/59/09/1382485909.db2.gz ULVDJBZJQLHKTE-QUCCMNQESA-N 2 1 349.563 3.149 20 0 EGADMP CC(C)(C)CCC[N@@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161716247 1382487587 /nfs/dbraw/zinc/48/75/87/1382487587.db2.gz JEPRWGYLZSPTDZ-UHFFFAOYSA-N 2 1 347.547 3.047 20 0 EGADMP C[NH+](C)CCCCNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001161730776 1382490636 /nfs/dbraw/zinc/49/06/36/1382490636.db2.gz GTDKXCXCIVOSNO-QGZVFWFLSA-N 3 1 329.492 3.105 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1=CC[NH+](CCC2CCCCC2)CC1 ZINC001161755102 1382495537 /nfs/dbraw/zinc/49/55/37/1382495537.db2.gz LTAYXEYHFPQYLG-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@H+](CCC2CCCCC2)CC1 ZINC001161755102 1382495540 /nfs/dbraw/zinc/49/55/40/1382495540.db2.gz LTAYXEYHFPQYLG-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@@H+](CCC2CCCCC2)CC1 ZINC001161755102 1382495541 /nfs/dbraw/zinc/49/55/41/1382495541.db2.gz LTAYXEYHFPQYLG-UHFFFAOYSA-N 2 1 349.563 3.437 20 0 EGADMP CC(C)(C)[C@H]1CC[C@@H](Nc2nc(N3CCC([NH3+])CC3)cc[nH+]2)CC1 ZINC001162868854 1382899824 /nfs/dbraw/zinc/89/98/24/1382899824.db2.gz BCDUBFRYCHUBKE-FZNQNYSPSA-N 2 1 331.508 3.421 20 0 EGADMP C[N@H+]1CC[C@H](c2ccc(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)cc2)C1 ZINC001162967280 1382930423 /nfs/dbraw/zinc/93/04/23/1382930423.db2.gz OBYZTMZUGQFCGH-AZUAARDMSA-N 2 1 343.515 3.066 20 0 EGADMP CC(C)c1ccc(CNc2cc[nH+]c(N3CCC([NH3+])CC3)n2)cc1 ZINC001163816735 1383125241 /nfs/dbraw/zinc/12/52/41/1383125241.db2.gz MMHABBOOJNIYHR-UHFFFAOYSA-N 2 1 325.460 3.140 20 0 EGADMP C[NH+](C)C1(CNc2ccccc2OC2CCCC2)CC[NH+](C)CC1 ZINC001164212860 1383166515 /nfs/dbraw/zinc/16/65/15/1383166515.db2.gz HQPKAEIPEDUCEG-UHFFFAOYSA-N 2 1 331.504 3.446 20 0 EGADMP Cc1cc(OC(F)(F)F)ccc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164212857 1383166592 /nfs/dbraw/zinc/16/65/92/1383166592.db2.gz HMNYBJZKEOWUAK-UHFFFAOYSA-N 2 1 345.409 3.332 20 0 EGADMP c1cc2c[nH+]c(N[C@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2[nH]1 ZINC001164483516 1383191452 /nfs/dbraw/zinc/19/14/52/1383191452.db2.gz BYLFJGJYFGVAER-BZSNNMDCSA-N 2 1 333.439 3.232 20 0 EGADMP c1cc2c[nH+]c(N[C@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc2[nH]1 ZINC001164483516 1383191454 /nfs/dbraw/zinc/19/14/54/1383191454.db2.gz BYLFJGJYFGVAER-BZSNNMDCSA-N 2 1 333.439 3.232 20 0 EGADMP Cc1cc2ccccc2c(N2CCC(C)([NH+]3CCOCC3)CC2)[nH+]1 ZINC001165134323 1383234609 /nfs/dbraw/zinc/23/46/09/1383234609.db2.gz WCOUBFUHFHMFIM-UHFFFAOYSA-N 2 1 325.456 3.234 20 0 EGADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@]4(C3)CCC[NH2+]C4)c12 ZINC001165238925 1383255686 /nfs/dbraw/zinc/25/56/86/1383255686.db2.gz JDQABAHRQCZZNH-LJQANCHMSA-N 2 1 325.460 3.126 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001165567999 1383310844 /nfs/dbraw/zinc/31/08/44/1383310844.db2.gz DDEZTODWOUUSEG-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165729071 1383334467 /nfs/dbraw/zinc/33/44/67/1383334467.db2.gz YKKADFQLIYIYIJ-FKDQEEMOSA-N 2 1 347.547 3.236 20 0 EGADMP CC(C)=CC[NH2+]CC1(CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001165895319 1383359429 /nfs/dbraw/zinc/35/94/29/1383359429.db2.gz XODIMUUZHMVCRR-UHFFFAOYSA-N 2 1 349.563 3.482 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165927295 1383366336 /nfs/dbraw/zinc/36/63/36/1383366336.db2.gz ZRZWADPUKQKOPV-SFFCAUCYSA-N 2 1 349.563 3.339 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC2(C[NH2+]C[C@@H](C)CC)CC2)C1 ZINC001166793259 1383478400 /nfs/dbraw/zinc/47/84/00/1383478400.db2.gz HDIFYWJVLAYWAN-ZWKOTPCHSA-N 2 1 337.552 3.031 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)[C@H](C)c1ccccc1F ZINC001328786846 1388863441 /nfs/dbraw/zinc/86/34/41/1388863441.db2.gz RGAFCUGLAUCAFS-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)[C@H](C)c1ccccc1F ZINC001328786846 1388863443 /nfs/dbraw/zinc/86/34/43/1388863443.db2.gz RGAFCUGLAUCAFS-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@H](C)c1ccccc1F ZINC001328786846 1388863447 /nfs/dbraw/zinc/86/34/47/1388863447.db2.gz RGAFCUGLAUCAFS-IAGOWNOFSA-N 2 1 349.494 3.151 20 0 EGADMP C[C@H](Cc1cnc[nH]1)C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001167426283 1383631060 /nfs/dbraw/zinc/63/10/60/1383631060.db2.gz QJZHUKSBYATAKN-MRXNPFEDSA-N 2 1 346.519 3.045 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001167475418 1383644790 /nfs/dbraw/zinc/64/47/90/1383644790.db2.gz DJMBZWANANGNSI-OAHLLOKOSA-N 2 1 346.450 3.003 20 0 EGADMP Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c(C)c1 ZINC001167635234 1383694314 /nfs/dbraw/zinc/69/43/14/1383694314.db2.gz MCFULBLKHFLSAZ-FQEVSTJZSA-N 2 1 345.531 3.162 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001167639560 1383695775 /nfs/dbraw/zinc/69/57/75/1383695775.db2.gz BNERDLOXQHYRTQ-UHFFFAOYSA-N 2 1 337.552 3.175 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(F)ccc2C)[C@@H](C)C1 ZINC001167683808 1383709519 /nfs/dbraw/zinc/70/95/19/1383709519.db2.gz BXPWDBNHGMQAGF-MAUKXSAKSA-N 2 1 335.467 3.125 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc(F)ccc2C)[C@@H](C)C1 ZINC001167683808 1383709522 /nfs/dbraw/zinc/70/95/22/1383709522.db2.gz BXPWDBNHGMQAGF-MAUKXSAKSA-N 2 1 335.467 3.125 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc(F)ccc2C)[C@@H](C)C1 ZINC001167683808 1383709526 /nfs/dbraw/zinc/70/95/26/1383709526.db2.gz BXPWDBNHGMQAGF-MAUKXSAKSA-N 2 1 335.467 3.125 20 0 EGADMP Cc1[nH+]c(N)ccc1CNc1ccc(C[N@H+]2CCCC[C@@H]2C)cn1 ZINC001167785259 1383740313 /nfs/dbraw/zinc/74/03/13/1383740313.db2.gz NGSIPJOJOSMZTL-AWEZNQCLSA-N 2 1 325.460 3.354 20 0 EGADMP Cc1[nH+]c(N)ccc1CNc1ccc(C[N@@H+]2CCCC[C@@H]2C)cn1 ZINC001167785259 1383740317 /nfs/dbraw/zinc/74/03/17/1383740317.db2.gz NGSIPJOJOSMZTL-AWEZNQCLSA-N 2 1 325.460 3.354 20 0 EGADMP Cc1[nH+]c(N)ccc1CNc1ccc(SC2CC[NH2+]CC2)cc1 ZINC001167788126 1383741227 /nfs/dbraw/zinc/74/12/27/1383741227.db2.gz PKURDCITTJGHDQ-UHFFFAOYSA-N 2 1 328.485 3.428 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001167825835 1383749986 /nfs/dbraw/zinc/74/99/86/1383749986.db2.gz LIPCKSMBBJPVHQ-INIZCTEOSA-N 2 1 330.520 3.265 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](Oc2nccnc2C)C1 ZINC001167833915 1383752930 /nfs/dbraw/zinc/75/29/30/1383752930.db2.gz FWAPGLVZNQOYAO-AEFFLSMTSA-N 2 1 334.508 3.139 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC001167833543 1383753446 /nfs/dbraw/zinc/75/34/46/1383753446.db2.gz CGGJFHJNTADTJX-AZUAARDMSA-N 2 1 334.504 3.277 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](Oc2ncc(C)cn2)C1 ZINC001167836192 1383753958 /nfs/dbraw/zinc/75/39/58/1383753958.db2.gz XCPDBAYKBIBWNM-ZWKOTPCHSA-N 2 1 334.508 3.139 20 0 EGADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC001167839885 1383756070 /nfs/dbraw/zinc/75/60/70/1383756070.db2.gz CJRSNCNBYRJFNI-MJGOQNOKSA-N 2 1 334.504 3.213 20 0 EGADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+]([C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167940913 1383774366 /nfs/dbraw/zinc/77/43/66/1383774366.db2.gz YZTBJZKILSREJW-XMTFNYHQSA-N 2 1 330.472 3.133 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167962178 1383780587 /nfs/dbraw/zinc/78/05/87/1383780587.db2.gz VEJYTGNYTNNSNZ-LVNQGSGBSA-N 2 1 333.564 3.349 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167962178 1383780588 /nfs/dbraw/zinc/78/05/88/1383780588.db2.gz VEJYTGNYTNNSNZ-LVNQGSGBSA-N 3 1 333.564 3.349 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167962178 1383780592 /nfs/dbraw/zinc/78/05/92/1383780592.db2.gz VEJYTGNYTNNSNZ-LVNQGSGBSA-N 3 1 333.564 3.349 20 0 EGADMP FC(F)(F)CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167971280 1383782731 /nfs/dbraw/zinc/78/27/31/1383782731.db2.gz VYXCTUDTKJRCNG-ALOPSCKCSA-N 2 1 345.453 3.008 20 0 EGADMP O[C@]1(C(F)(F)F)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167982810 1383786632 /nfs/dbraw/zinc/78/66/32/1383786632.db2.gz BAXGRPKDMQKPAU-FCLJQHQZSA-N 2 1 346.437 3.171 20 0 EGADMP O[C@]1(C(F)(F)F)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167982810 1383786636 /nfs/dbraw/zinc/78/66/36/1383786636.db2.gz BAXGRPKDMQKPAU-FCLJQHQZSA-N 2 1 346.437 3.171 20 0 EGADMP O[C@]1(C(F)(F)F)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167982810 1383786640 /nfs/dbraw/zinc/78/66/40/1383786640.db2.gz BAXGRPKDMQKPAU-FCLJQHQZSA-N 2 1 346.437 3.171 20 0 EGADMP C[N@H+]1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H](c2ccccc2)C1 ZINC001167984428 1383787662 /nfs/dbraw/zinc/78/76/62/1383787662.db2.gz OSXUIIBMYRUPOV-IUPYZPJSSA-N 2 1 339.527 3.381 20 0 EGADMP C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@@H](c2ccccc2)C1 ZINC001167984428 1383787663 /nfs/dbraw/zinc/78/76/63/1383787663.db2.gz OSXUIIBMYRUPOV-IUPYZPJSSA-N 2 1 339.527 3.381 20 0 EGADMP C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@@H](c2ccccc2)C1 ZINC001167984428 1383787667 /nfs/dbraw/zinc/78/76/67/1383787667.db2.gz OSXUIIBMYRUPOV-IUPYZPJSSA-N 2 1 339.527 3.381 20 0 EGADMP FC1CC[NH+](C2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)CC1 ZINC001167994442 1383790928 /nfs/dbraw/zinc/79/09/28/1383790928.db2.gz DGCARNLSMYLBSA-WCRBZPEASA-N 2 1 349.538 3.290 20 0 EGADMP CCOC(C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)OCC ZINC001168007705 1383794774 /nfs/dbraw/zinc/79/47/74/1383794774.db2.gz AZDOWXXXVUMZCW-IZZQQSIFSA-N 2 1 334.504 3.417 20 0 EGADMP CCOC(C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)OCC ZINC001168007705 1383794778 /nfs/dbraw/zinc/79/47/78/1383794778.db2.gz AZDOWXXXVUMZCW-IZZQQSIFSA-N 2 1 334.504 3.417 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]CCOc2cccnc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012564 1383796849 /nfs/dbraw/zinc/79/68/49/1383796849.db2.gz CCVNEQKTFMDMRP-OPVJXMOQSA-N 2 1 339.483 3.492 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccn2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168018784 1383798447 /nfs/dbraw/zinc/79/84/47/1383798447.db2.gz DLSKBLBWFLHOLR-NZGUISNBSA-N 2 1 339.483 3.146 20 0 EGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018784 1383798449 /nfs/dbraw/zinc/79/84/49/1383798449.db2.gz DLSKBLBWFLHOLR-NZGUISNBSA-N 2 1 339.483 3.146 20 0 EGADMP C[C@H]1CC([NH2+]C2COC(C)(C)OC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168018815 1383798672 /nfs/dbraw/zinc/79/86/72/1383798672.db2.gz FEDXCHLTCDETSN-HOTGVXAUSA-N 2 1 332.488 3.169 20 0 EGADMP COC(CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC001168024307 1383799554 /nfs/dbraw/zinc/79/95/54/1383799554.db2.gz DZCQCWVLZOOPBY-IZZQQSIFSA-N 2 1 334.504 3.417 20 0 EGADMP CNC(=O)[C@@H]([NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)C(C)(C)C ZINC001168027904 1383799942 /nfs/dbraw/zinc/79/99/42/1383799942.db2.gz NICQKENNHDWJMB-TXPKVOOTSA-N 2 1 345.531 3.178 20 0 EGADMP CCOC(=O)[C@@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168029666 1383800038 /nfs/dbraw/zinc/80/00/38/1383800038.db2.gz UMLPZAWVPKLRTD-BMFAXAFESA-N 2 1 332.488 3.217 20 0 EGADMP O=C(NCCC[NH2+]CC1CCC2(CC2)CC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168030370 1383800359 /nfs/dbraw/zinc/80/03/59/1383800359.db2.gz NQDGTZRTKJYKIW-RTBURBONSA-N 2 1 347.547 3.070 20 0 EGADMP COC(=O)[C@@H]1CCC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039485 1383802213 /nfs/dbraw/zinc/80/22/13/1383802213.db2.gz FQKPOYAOKJNQEM-JENIJYKNSA-N 2 1 344.499 3.313 20 0 EGADMP C[C@H]1C[C@H]([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)CCO1 ZINC001168118140 1383820834 /nfs/dbraw/zinc/82/08/34/1383820834.db2.gz OOIGERQIXRBEON-PKOBYXMFSA-N 2 1 343.515 3.326 20 0 EGADMP CC1CCC([NH2+][C@@H](CCCC[NH3+])C(=O)OCc2ccccc2)CC1 ZINC001168199509 1383842748 /nfs/dbraw/zinc/84/27/48/1383842748.db2.gz RRNDHPBKQPRYQJ-KVZIAJEVSA-N 2 1 332.488 3.396 20 0 EGADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC([NH3+])(c3ccc(F)cc3)CC1)C2 ZINC001168252120 1383853515 /nfs/dbraw/zinc/85/35/15/1383853515.db2.gz MXWCAVKNCYSFDL-LJQANCHMSA-N 2 1 340.442 3.252 20 0 EGADMP C[NH+](C)C1CCC([NH+]2CCC(N)(c3ccc(Cl)cc3)CC2)CC1 ZINC001168306347 1383868908 /nfs/dbraw/zinc/86/89/08/1383868908.db2.gz XDUUBFGRQOQWST-UHFFFAOYSA-N 2 1 335.923 3.463 20 0 EGADMP CCOC(=O)CC[N@@H+](Cc1ccccc1)C1CCC([NH+](C)C)CC1 ZINC001168318967 1383871192 /nfs/dbraw/zinc/87/11/92/1383871192.db2.gz JOGXMHPXWSLTFA-UHFFFAOYSA-N 2 1 332.488 3.315 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)CC1 ZINC001168314464 1383871855 /nfs/dbraw/zinc/87/18/55/1383871855.db2.gz LQRUQUQAUQSFMF-LADRWXRNSA-N 2 1 339.524 3.238 20 0 EGADMP Cc1csc([C@H]2C[C@@H]3CC[N@H+](C4CCC([NH+](C)C)CC4)C[C@H]3O2)n1 ZINC001168319817 1383871868 /nfs/dbraw/zinc/87/18/68/1383871868.db2.gz ZPVXRTZWFJDENU-VVLHZNOGSA-N 2 1 349.544 3.476 20 0 EGADMP COc1ccccc1O[C@@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168323267 1383872151 /nfs/dbraw/zinc/87/21/51/1383872151.db2.gz XABUWBWVXNVHMO-DAWZGUTISA-N 2 1 332.488 3.411 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168324651 1383873249 /nfs/dbraw/zinc/87/32/49/1383873249.db2.gz SQASTJVSXLEHCE-NUWOQIAWSA-N 2 1 339.524 3.237 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCC1(C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001168346419 1383880520 /nfs/dbraw/zinc/88/05/20/1383880520.db2.gz YWEZDDKGJLTHCK-MRXNPFEDSA-N 2 1 349.494 3.103 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC001168371611 1383887590 /nfs/dbraw/zinc/88/75/90/1383887590.db2.gz PJQZJHNNIBIXKL-PGRDOPGGSA-N 2 1 341.543 3.361 20 0 EGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001168387786 1383891382 /nfs/dbraw/zinc/89/13/82/1383891382.db2.gz UJSFIKQKPPEGAV-NRFANRHFSA-N 2 1 341.543 3.315 20 0 EGADMP Cc1cccc(O[C@@H]2CCC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)n1 ZINC001168395342 1383895193 /nfs/dbraw/zinc/89/51/93/1383895193.db2.gz WATXZZPLIYWQPK-LJQANCHMSA-N 2 1 329.488 3.108 20 0 EGADMP Cc1cccc(O[C@@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)n1 ZINC001168395342 1383895198 /nfs/dbraw/zinc/89/51/98/1383895198.db2.gz WATXZZPLIYWQPK-LJQANCHMSA-N 2 1 329.488 3.108 20 0 EGADMP COC(=O)[C@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)[C@H]1c1ccccc1 ZINC001168399087 1383896845 /nfs/dbraw/zinc/89/68/45/1383896845.db2.gz XHFZFWJKQCJBBQ-PMACEKPBSA-N 2 1 342.483 3.097 20 0 EGADMP COc1ccc([C@@H]2C[C@@H]([NH2+]CC[C@@H]3CCC[N@@H+](C)C3)CCO2)cc1 ZINC001168591185 1383944066 /nfs/dbraw/zinc/94/40/66/1383944066.db2.gz UDLUZZYTWQOEJP-QRFRQXIXSA-N 2 1 332.488 3.237 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC001307421525 1383987011 /nfs/dbraw/zinc/98/70/11/1383987011.db2.gz UDRXJWMOGANAEC-OALUTQOASA-N 2 1 338.536 3.410 20 0 EGADMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C[C@@H]1CO ZINC001307951545 1384061689 /nfs/dbraw/zinc/06/16/89/1384061689.db2.gz KMEQGTRAXTZEPE-DENIHFKCSA-N 2 1 344.543 3.282 20 0 EGADMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@H](Cc3ccccc3)CC(C)C)C[C@@H]2C1 ZINC001169081697 1384103901 /nfs/dbraw/zinc/10/39/01/1384103901.db2.gz ZWKWVYABHKXVSO-PCCBWWKXSA-N 2 1 330.516 3.296 20 0 EGADMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@H](Cc3ccccc3)CC(C)C)C[C@@H]2C1 ZINC001169081697 1384103908 /nfs/dbraw/zinc/10/39/08/1384103908.db2.gz ZWKWVYABHKXVSO-PCCBWWKXSA-N 2 1 330.516 3.296 20 0 EGADMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@H](Cc3ccccc3)CC(C)C)C[C@@H]2C1 ZINC001169081697 1384103910 /nfs/dbraw/zinc/10/39/10/1384103910.db2.gz ZWKWVYABHKXVSO-PCCBWWKXSA-N 2 1 330.516 3.296 20 0 EGADMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@H](Cc3ccccc3)CC(C)C)C[C@@H]2C1 ZINC001169081697 1384103911 /nfs/dbraw/zinc/10/39/11/1384103911.db2.gz ZWKWVYABHKXVSO-PCCBWWKXSA-N 2 1 330.516 3.296 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C)C2 ZINC001169081290 1384103999 /nfs/dbraw/zinc/10/39/99/1384103999.db2.gz PZGMOSSMTBLYHM-JJTUDDRGSA-N 2 1 337.508 3.037 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)C2 ZINC001169081310 1384104207 /nfs/dbraw/zinc/10/42/07/1384104207.db2.gz QRBATDZQWCMYQZ-QDMKHBRRSA-N 2 1 327.241 3.303 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)C2 ZINC001169081310 1384104209 /nfs/dbraw/zinc/10/42/09/1384104209.db2.gz QRBATDZQWCMYQZ-QDMKHBRRSA-N 2 1 327.241 3.303 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169092887 1384105711 /nfs/dbraw/zinc/10/57/11/1384105711.db2.gz DNUREHYZSKFPJM-WKCHPHFGSA-N 3 1 327.516 3.113 20 0 EGADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169092887 1384105713 /nfs/dbraw/zinc/10/57/13/1384105713.db2.gz DNUREHYZSKFPJM-WKCHPHFGSA-N 2 1 327.516 3.113 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccc(F)cc3)CC1)C2 ZINC001169098659 1384106932 /nfs/dbraw/zinc/10/69/32/1384106932.db2.gz KRTZJBGFRTVZAD-ACDBMABISA-N 2 1 331.479 3.005 20 0 EGADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Br)c(F)c1)C2 ZINC001169100037 1384107344 /nfs/dbraw/zinc/10/73/44/1384107344.db2.gz ZTWNLKVQKCDRKM-XYYAHUGASA-N 2 1 327.241 3.303 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Br)c(F)c1)C2 ZINC001169100037 1384107346 /nfs/dbraw/zinc/10/73/46/1384107346.db2.gz ZTWNLKVQKCDRKM-XYYAHUGASA-N 2 1 327.241 3.303 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCN(Cc3ccc(Cl)cc3)C1)C2 ZINC001169109462 1384108698 /nfs/dbraw/zinc/10/86/98/1384108698.db2.gz IUDJJRGSFUTOAC-OKYOBFRVSA-N 2 1 333.907 3.129 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCCCC1)C2 ZINC001169124998 1384110278 /nfs/dbraw/zinc/11/02/78/1384110278.db2.gz VZVSRLZKSWZPDN-OSYLJGHBSA-N 2 1 336.520 3.493 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3ncnc(-c4ccccc4)c3CC1)C2 ZINC001169137563 1384111943 /nfs/dbraw/zinc/11/19/43/1384111943.db2.gz DBBMTAMXSKATFN-BWTSREIZSA-N 2 1 348.494 3.169 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCc3ncnc(-c4ccccc4)c3CC1)C2 ZINC001169137563 1384111945 /nfs/dbraw/zinc/11/19/45/1384111945.db2.gz DBBMTAMXSKATFN-BWTSREIZSA-N 2 1 348.494 3.169 20 0 EGADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCc3ncnc(-c4ccccc4)c3CC1)C2 ZINC001169137563 1384111947 /nfs/dbraw/zinc/11/19/47/1384111947.db2.gz DBBMTAMXSKATFN-BWTSREIZSA-N 2 1 348.494 3.169 20 0 EGADMP C[C@H](CCc1ccccc1)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC001308250318 1384112664 /nfs/dbraw/zinc/11/26/64/1384112664.db2.gz CYILPSXONZSFEG-LJQANCHMSA-N 2 1 330.516 3.490 20 0 EGADMP COc1ccc([C@@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC001169141735 1384112772 /nfs/dbraw/zinc/11/27/72/1384112772.db2.gz SCTMBWMSJNEBRG-MLHJIOFPSA-N 2 1 330.472 3.466 20 0 EGADMP COc1ccc([C@@H]2CCC[NH+]2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC001169141735 1384112774 /nfs/dbraw/zinc/11/27/74/1384112774.db2.gz SCTMBWMSJNEBRG-MLHJIOFPSA-N 2 1 330.472 3.466 20 0 EGADMP CC1(C)c2c[nH+]c(N[C@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)cc2NC1=O ZINC001169141451 1384112996 /nfs/dbraw/zinc/11/29/96/1384112996.db2.gz JJAQADSPSWMIEA-BUXKBTBVSA-N 2 1 330.476 3.267 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC1)OCCc1ccccc13)C2 ZINC001169145495 1384114264 /nfs/dbraw/zinc/11/42/64/1384114264.db2.gz MSUIQQMTXXSMMV-BWTSREIZSA-N 2 1 326.484 3.176 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153236 1384115713 /nfs/dbraw/zinc/11/57/13/1384115713.db2.gz IATQWFXNWIETGQ-OCVXTVMPSA-N 2 1 341.543 3.454 20 0 EGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1N(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153236 1384115715 /nfs/dbraw/zinc/11/57/15/1384115715.db2.gz IATQWFXNWIETGQ-OCVXTVMPSA-N 2 1 341.543 3.454 20 0 EGADMP C[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1N(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153236 1384115717 /nfs/dbraw/zinc/11/57/17/1384115717.db2.gz IATQWFXNWIETGQ-OCVXTVMPSA-N 2 1 341.543 3.454 20 0 EGADMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc(Cl)c1OC ZINC001308291867 1384116906 /nfs/dbraw/zinc/11/69/06/1384116906.db2.gz FSNPGUPIZXLSEI-ZIAGYGMSSA-N 2 1 326.868 3.320 20 0 EGADMP Cc1cc(N2CCC([NH2+]Cc3cccc4cccnc43)CC2)nc(C)[nH+]1 ZINC001308292139 1384116920 /nfs/dbraw/zinc/11/69/20/1384116920.db2.gz JQDDPRAXQSERHU-UHFFFAOYSA-N 2 1 347.466 3.400 20 0 EGADMP Cc1cc(N2CCC([NH2+]Cc3cccc(F)c3F)CC2)nc(C)[nH+]1 ZINC001308292537 1384117033 /nfs/dbraw/zinc/11/70/33/1384117033.db2.gz NFJYWGHJCJEYFV-UHFFFAOYSA-N 2 1 332.398 3.130 20 0 EGADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](N3Cc4ccccc4C3=O)CC2)CC1 ZINC001169240857 1384126309 /nfs/dbraw/zinc/12/63/09/1384126309.db2.gz LXMAKNUIKKBKTN-UAPYVXQJSA-N 2 1 341.499 3.028 20 0 EGADMP CC[NH+]1CCC(NC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)CC1 ZINC001169244148 1384126773 /nfs/dbraw/zinc/12/67/73/1384126773.db2.gz DJRGYUFROXXBMD-QUCCMNQESA-N 2 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001308896529 1384157689 /nfs/dbraw/zinc/15/76/89/1384157689.db2.gz BDVLNGJMBRFAIE-RXVVDRJESA-N 3 1 329.532 3.076 20 0 EGADMP C[N@H+]1CCCC[C@@H]1c1ccc(-n2cc(CC[NH3+])c3ncccc32)nc1 ZINC001169706797 1384175754 /nfs/dbraw/zinc/17/57/54/1384175754.db2.gz UTALRZCFJBXGPS-QGZVFWFLSA-N 2 1 335.455 3.079 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001170221999 1384268935 /nfs/dbraw/zinc/26/89/35/1384268935.db2.gz HQHJQPKFYZKNRK-KRWDZBQOSA-N 2 1 347.547 3.483 20 0 EGADMP CC[C@@H](Cc1ccc2c(c1)OCO2)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001170451191 1384322064 /nfs/dbraw/zinc/32/20/64/1384322064.db2.gz WZYDKFCNBGOMJY-INIZCTEOSA-N 2 1 327.428 3.273 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170527493 1384335250 /nfs/dbraw/zinc/33/52/50/1384335250.db2.gz YKHIFJBTDFPQPJ-OWYHZJEWSA-N 2 1 348.462 3.239 20 0 EGADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)C1 ZINC001170746425 1384376749 /nfs/dbraw/zinc/37/67/49/1384376749.db2.gz MMKXEQYFYJLKSF-KANFNMMFSA-N 2 1 348.531 3.161 20 0 EGADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)C1 ZINC001170746425 1384376755 /nfs/dbraw/zinc/37/67/55/1384376755.db2.gz MMKXEQYFYJLKSF-KANFNMMFSA-N 2 1 348.531 3.161 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC001170784158 1384384375 /nfs/dbraw/zinc/38/43/75/1384384375.db2.gz FNLQOUASTADORL-ICSRJNTNSA-N 2 1 345.531 3.498 20 0 EGADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCc2ccc(Br)cc2C1 ZINC001170849506 1384397705 /nfs/dbraw/zinc/39/77/05/1384397705.db2.gz MJHVKFQSOKIWGA-INIZCTEOSA-N 2 1 325.294 3.366 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH2+]CC1CCCCC1)c1ccccc1 ZINC001170868883 1384401853 /nfs/dbraw/zinc/40/18/53/1384401853.db2.gz VNSFSAGURDYWNX-HXUWFJFHSA-N 2 1 345.531 3.356 20 0 EGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@@H]1CCc3ccc(Br)cc3C1)C2 ZINC001170888479 1384406496 /nfs/dbraw/zinc/40/64/96/1384406496.db2.gz GLOHPQVIPJQUPK-KBAYOESNSA-N 2 1 349.316 3.190 20 0 EGADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CCc3ccc(Br)cc3C1)C2 ZINC001170888479 1384406500 /nfs/dbraw/zinc/40/65/00/1384406500.db2.gz GLOHPQVIPJQUPK-KBAYOESNSA-N 2 1 349.316 3.190 20 0 EGADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171031064 1384433283 /nfs/dbraw/zinc/43/32/83/1384433283.db2.gz SALZWFHEHMIWMY-BZUAXINKSA-N 2 1 334.891 3.168 20 0 EGADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001171248946 1384478859 /nfs/dbraw/zinc/47/88/59/1384478859.db2.gz ZFQPEWPFPJJBJA-ZWKOTPCHSA-N 2 1 325.541 3.314 20 0 EGADMP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC001171538786 1384556140 /nfs/dbraw/zinc/55/61/40/1384556140.db2.gz ONCOEDUNWCMJTK-ICSRJNTNSA-N 2 1 345.531 3.244 20 0 EGADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171593655 1384573746 /nfs/dbraw/zinc/57/37/46/1384573746.db2.gz QARSPOIADKIDMC-OWCLPIDISA-N 2 1 341.540 3.327 20 0 EGADMP CC(=O)N(C)c1cccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171618753 1384581628 /nfs/dbraw/zinc/58/16/28/1384581628.db2.gz BKNONXJEBABWRC-UHFFFAOYSA-N 2 1 331.504 3.410 20 0 EGADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(OC(F)F)nc2)CC1(C)C ZINC001171623354 1384582946 /nfs/dbraw/zinc/58/29/46/1384582946.db2.gz VJZYXPVXHLLIFS-UHFFFAOYSA-N 2 1 327.419 3.424 20 0 EGADMP COc1cc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cc(OC)c1O ZINC001171625489 1384584556 /nfs/dbraw/zinc/58/45/56/1384584556.db2.gz JWDHKXUELWNHRE-UHFFFAOYSA-N 2 1 336.476 3.150 20 0 EGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001171646290 1384591322 /nfs/dbraw/zinc/59/13/22/1384591322.db2.gz LDFWKAPWVXMVMB-QZTJIDSGSA-N 2 1 325.541 3.172 20 0 EGADMP C[C@H]1C[C@H](N(C(N)=[NH2+])c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC001171727467 1384615644 /nfs/dbraw/zinc/61/56/44/1384615644.db2.gz CTPRQFRSNYLLMI-KSSFIOAISA-N 2 1 326.419 3.189 20 0 EGADMP C[C@H]1C[C@@H](NC2CC[NH+](CC3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171732588 1384618607 /nfs/dbraw/zinc/61/86/07/1384618607.db2.gz CRIWNUFLTWMIHM-LAUBAEHRSA-N 2 1 327.516 3.113 20 0 EGADMP C[C@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)CN1Cc1ccccc1 ZINC001171759031 1384626740 /nfs/dbraw/zinc/62/67/40/1384626740.db2.gz FTHFAFXTFZPLPT-AZUAARDMSA-N 2 1 327.516 3.067 20 0 EGADMP C[C@H]1C[C@H](N2CC[C@@H]([NH+]3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171759409 1384627327 /nfs/dbraw/zinc/62/73/27/1384627327.db2.gz JIXOWKZWUNZRLK-TYPHKJRUSA-N 2 1 327.516 3.210 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCCCCC1 ZINC001171816979 1384648866 /nfs/dbraw/zinc/64/88/66/1384648866.db2.gz PHJDRLFXXNCMHA-KRWDZBQOSA-N 2 1 348.535 3.427 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCCC[NH2+]C[C@H](C)CC(C)C ZINC001171821688 1384650633 /nfs/dbraw/zinc/65/06/33/1384650633.db2.gz PSBCYYTUQGPCED-IAGOWNOFSA-N 2 1 336.524 3.138 20 0 EGADMP Cc1cnc(CC[NH3+])n1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963912 1384697435 /nfs/dbraw/zinc/69/74/35/1384697435.db2.gz FUILUDOFGYUANY-GOSISDBHSA-N 2 1 326.488 3.308 20 0 EGADMP CC1(C)C[C@@H](N2CC[NH+]3CCC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171985776 1384703981 /nfs/dbraw/zinc/70/39/81/1384703981.db2.gz ZQFJIVXGRANGPX-VQTJNVASSA-N 2 1 327.516 3.210 20 0 EGADMP CC1(C)C[C@@H](N2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171985776 1384703984 /nfs/dbraw/zinc/70/39/84/1384703984.db2.gz ZQFJIVXGRANGPX-VQTJNVASSA-N 2 1 327.516 3.210 20 0 EGADMP CC1(C)C[C@@H](N2CC[N@H+]3CCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171985776 1384703986 /nfs/dbraw/zinc/70/39/86/1384703986.db2.gz ZQFJIVXGRANGPX-VQTJNVASSA-N 2 1 327.516 3.210 20 0 EGADMP CCOC(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989122 1384705412 /nfs/dbraw/zinc/70/54/12/1384705412.db2.gz YGDKIEKWQBDSBA-SFHVURJKSA-N 2 1 332.488 3.315 20 0 EGADMP CCOC(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989122 1384705420 /nfs/dbraw/zinc/70/54/20/1384705420.db2.gz YGDKIEKWQBDSBA-SFHVURJKSA-N 2 1 332.488 3.315 20 0 EGADMP CCOC(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989122 1384705422 /nfs/dbraw/zinc/70/54/22/1384705422.db2.gz YGDKIEKWQBDSBA-SFHVURJKSA-N 2 1 332.488 3.315 20 0 EGADMP CN(CC[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988502 1384706607 /nfs/dbraw/zinc/70/66/07/1384706607.db2.gz SDNWKMRJOJOEAU-FQEVSTJZSA-N 2 1 329.532 3.457 20 0 EGADMP CC1(C)[C@H](O)C[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064601 1384715176 /nfs/dbraw/zinc/71/51/76/1384715176.db2.gz DHGGJKGUVXHFBN-OUUBHVDSSA-N 2 1 328.500 3.321 20 0 EGADMP O[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068385 1384715785 /nfs/dbraw/zinc/71/57/85/1384715785.db2.gz QKOMLESSZABDBE-JRSUCEMESA-N 2 1 328.500 3.323 20 0 EGADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC[NH+]4CCC[C@H]4C2)C3)cc1 ZINC001172071215 1384718089 /nfs/dbraw/zinc/71/80/89/1384718089.db2.gz DASOPOBSJHWIID-LNRXMEIDSA-N 2 1 339.527 3.352 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC[N@@H+]4CCC[C@H]4C2)C3)cc1 ZINC001172071215 1384718091 /nfs/dbraw/zinc/71/80/91/1384718091.db2.gz DASOPOBSJHWIID-LNRXMEIDSA-N 2 1 339.527 3.352 20 0 EGADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC[N@H+]4CCC[C@H]4C2)C3)cc1 ZINC001172071215 1384718094 /nfs/dbraw/zinc/71/80/94/1384718094.db2.gz DASOPOBSJHWIID-LNRXMEIDSA-N 2 1 339.527 3.352 20 0 EGADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@@H]1O ZINC001172069290 1384718276 /nfs/dbraw/zinc/71/82/76/1384718276.db2.gz OSXBNCCTVNUVEY-RQXATKFSSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@@H]1O ZINC001172069290 1384718281 /nfs/dbraw/zinc/71/82/81/1384718281.db2.gz OSXBNCCTVNUVEY-RQXATKFSSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@@H]1O ZINC001172069290 1384718289 /nfs/dbraw/zinc/71/82/89/1384718289.db2.gz OSXBNCCTVNUVEY-RQXATKFSSA-N 2 1 328.500 3.275 20 0 EGADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@@H]1O ZINC001172069290 1384718294 /nfs/dbraw/zinc/71/82/94/1384718294.db2.gz OSXBNCCTVNUVEY-RQXATKFSSA-N 2 1 328.500 3.275 20 0 EGADMP F[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074538 1384719611 /nfs/dbraw/zinc/71/96/11/1384719611.db2.gz WYSHIRRJCPEGCC-OBKDMQGPSA-N 2 1 332.463 3.289 20 0 EGADMP F[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074538 1384719619 /nfs/dbraw/zinc/71/96/19/1384719619.db2.gz WYSHIRRJCPEGCC-OBKDMQGPSA-N 2 1 332.463 3.289 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCN(Cc3ccc(F)cc3)C1)C2 ZINC001172107676 1384728275 /nfs/dbraw/zinc/72/82/75/1384728275.db2.gz AQZFVYYGUJZACP-YSTOQKLRSA-N 2 1 331.479 3.005 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCN(Cc3ccc(F)cc3)C1)C2 ZINC001172107676 1384728278 /nfs/dbraw/zinc/72/82/78/1384728278.db2.gz AQZFVYYGUJZACP-YSTOQKLRSA-N 2 1 331.479 3.005 20 0 EGADMP Cc1cccc(C2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCOCC2)n1 ZINC001172112063 1384729211 /nfs/dbraw/zinc/72/92/11/1384729211.db2.gz RBPABHVAAUPWEE-LDLYASANSA-N 2 1 343.515 3.043 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)CCNC(=O)OC(C)(C)C)C2 ZINC001172114782 1384730631 /nfs/dbraw/zinc/73/06/31/1384730631.db2.gz QEGBBDRCWALNBO-PHZGNYQRSA-N 2 1 339.524 3.285 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)CCNC(=O)OC(C)(C)C)C2 ZINC001172114782 1384730634 /nfs/dbraw/zinc/73/06/34/1384730634.db2.gz QEGBBDRCWALNBO-PHZGNYQRSA-N 2 1 339.524 3.285 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCCC1)C2 ZINC001172114062 1384730934 /nfs/dbraw/zinc/73/09/34/1384730934.db2.gz OLZLJERRRLOLJP-OSYLJGHBSA-N 2 1 336.520 3.493 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3ccc(F)c(F)c3)CC1)C2 ZINC001172114095 1384731135 /nfs/dbraw/zinc/73/11/35/1384731135.db2.gz PFUHYQFOQXRKMK-SCAQPMJSSA-N 2 1 335.442 3.102 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3ccc(F)c(F)c3)CC1)C2 ZINC001172114095 1384731139 /nfs/dbraw/zinc/73/11/39/1384731139.db2.gz PFUHYQFOQXRKMK-SCAQPMJSSA-N 2 1 335.442 3.102 20 0 EGADMP COC(=O)[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1ccccc1 ZINC001172120683 1384735177 /nfs/dbraw/zinc/73/51/77/1384735177.db2.gz LQZRXZIKZDEOOA-IVDHNXQLSA-N 2 1 342.483 3.238 20 0 EGADMP COC(=O)[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1ccccc1 ZINC001172120683 1384735179 /nfs/dbraw/zinc/73/51/79/1384735179.db2.gz LQZRXZIKZDEOOA-IVDHNXQLSA-N 2 1 342.483 3.238 20 0 EGADMP COC(=O)[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1c1ccccc1 ZINC001172120683 1384735181 /nfs/dbraw/zinc/73/51/81/1384735181.db2.gz LQZRXZIKZDEOOA-IVDHNXQLSA-N 2 1 342.483 3.238 20 0 EGADMP COC(=O)[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccccc1 ZINC001172120683 1384735182 /nfs/dbraw/zinc/73/51/82/1384735182.db2.gz LQZRXZIKZDEOOA-IVDHNXQLSA-N 2 1 342.483 3.238 20 0 EGADMP Cc1cccnc1OC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172133265 1384737971 /nfs/dbraw/zinc/73/79/71/1384737971.db2.gz QRHWTHKEZIRTLH-PIIMJCKOSA-N 2 1 329.488 3.249 20 0 EGADMP Cc1cccnc1OC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172133265 1384737974 /nfs/dbraw/zinc/73/79/74/1384737974.db2.gz QRHWTHKEZIRTLH-PIIMJCKOSA-N 2 1 329.488 3.249 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001316994991 1384751866 /nfs/dbraw/zinc/75/18/66/1384751866.db2.gz MVQNWDRUHGMRBJ-LJQANCHMSA-N 2 1 347.547 3.023 20 0 EGADMP COCCC[NH+]1CCC([NH+]2CCC(Oc3ccccc3)CC2)CC1 ZINC001172252415 1384755914 /nfs/dbraw/zinc/75/59/14/1384755914.db2.gz LKFDSFASZIMAGJ-UHFFFAOYSA-N 2 1 332.488 3.031 20 0 EGADMP COCCC[NH+]1CCC([NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001172249680 1384756020 /nfs/dbraw/zinc/75/60/20/1384756020.db2.gz MZUDVCNPMBTKCE-UHFFFAOYSA-N 2 1 330.516 3.442 20 0 EGADMP C[C@@H]1CC[C@H]([NH2+]C2(C[NH3+])CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C ZINC001172357180 1384776324 /nfs/dbraw/zinc/77/63/24/1384776324.db2.gz BDKSQKLGWGJCFW-OAGGEKHMSA-N 2 1 339.524 3.129 20 0 EGADMP CCOCC[C@H](C)[NH2+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001172419898 1384788371 /nfs/dbraw/zinc/78/83/71/1384788371.db2.gz NBEBSYBIWOXYTD-VMHNJKNPSA-N 2 1 336.479 3.378 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001172621757 1384821367 /nfs/dbraw/zinc/82/13/67/1384821367.db2.gz GKEIUDNTTUAJIG-MSOLQXFVSA-N 2 1 334.504 3.059 20 0 EGADMP CC[NH+](CC)CCCN1CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172721450 1384837427 /nfs/dbraw/zinc/83/74/27/1384837427.db2.gz FTKRRMMFEDJSBH-HXUWFJFHSA-N 2 1 349.950 3.157 20 0 EGADMP CC[N@@H+](C)C1CCN(C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172815833 1384858350 /nfs/dbraw/zinc/85/83/50/1384858350.db2.gz SHKFDVRFFHFUDW-JWTNVVGKSA-N 2 1 349.519 3.109 20 0 EGADMP CC[N@H+](C)C1CC[NH+](C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172815833 1384858354 /nfs/dbraw/zinc/85/83/54/1384858354.db2.gz SHKFDVRFFHFUDW-JWTNVVGKSA-N 2 1 349.519 3.109 20 0 EGADMP CC[N@@H+](C)C1CC[NH+](C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172815833 1384858357 /nfs/dbraw/zinc/85/83/57/1384858357.db2.gz SHKFDVRFFHFUDW-JWTNVVGKSA-N 2 1 349.519 3.109 20 0 EGADMP CC[N@H+](C)C1CC[NH+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172972151 1384892951 /nfs/dbraw/zinc/89/29/51/1384892951.db2.gz TXTZWQWTDAJXQX-OAHLLOKOSA-N 2 1 327.513 3.048 20 0 EGADMP CC[N@@H+](C)C1CC[NH+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172972151 1384892956 /nfs/dbraw/zinc/89/29/56/1384892956.db2.gz TXTZWQWTDAJXQX-OAHLLOKOSA-N 2 1 327.513 3.048 20 0 EGADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001172972670 1384893774 /nfs/dbraw/zinc/89/37/74/1384893774.db2.gz XZSSUIUIXSKJJS-HNNXBMFYSA-N 2 1 339.524 3.191 20 0 EGADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001172972670 1384893779 /nfs/dbraw/zinc/89/37/79/1384893779.db2.gz XZSSUIUIXSKJJS-HNNXBMFYSA-N 2 1 339.524 3.191 20 0 EGADMP C[C@H]1CC[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)CN1C(=O)OC(C)(C)C ZINC001173073597 1384907887 /nfs/dbraw/zinc/90/78/87/1384907887.db2.gz DOMGEAYRQICLFI-GOEBONIOSA-N 2 1 348.491 3.311 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)CC1 ZINC001173108326 1384916099 /nfs/dbraw/zinc/91/60/99/1384916099.db2.gz BQPDLGIBDIKPHO-LBDPXKHJSA-N 2 1 336.442 3.275 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2Cc3ccc(C(=O)OC)cc3C2)CC1 ZINC001173112641 1384917114 /nfs/dbraw/zinc/91/71/14/1384917114.db2.gz AYBMSFDBSCTGFJ-UHFFFAOYSA-N 2 1 330.472 3.442 20 0 EGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCc2ncsc2C1 ZINC001173144199 1384922860 /nfs/dbraw/zinc/92/28/60/1384922860.db2.gz SMXYBOXXIZCGOZ-ROUUACIJSA-N 2 1 341.524 3.454 20 0 EGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCc2ncsc2C1 ZINC001173144199 1384922862 /nfs/dbraw/zinc/92/28/62/1384922862.db2.gz SMXYBOXXIZCGOZ-ROUUACIJSA-N 2 1 341.524 3.454 20 0 EGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCc2ncsc2C1 ZINC001173144199 1384922863 /nfs/dbraw/zinc/92/28/63/1384922863.db2.gz SMXYBOXXIZCGOZ-ROUUACIJSA-N 2 1 341.524 3.454 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](Cc2ccccc2C)C1 ZINC001317201272 1384978456 /nfs/dbraw/zinc/97/84/56/1384978456.db2.gz AQZHRBNMKRADIH-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001317201272 1384978459 /nfs/dbraw/zinc/97/84/59/1384978459.db2.gz AQZHRBNMKRADIH-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC001317201272 1384978462 /nfs/dbraw/zinc/97/84/62/1384978462.db2.gz AQZHRBNMKRADIH-QUCCMNQESA-N 2 1 345.531 3.054 20 0 EGADMP CCOC(=O)C[C@@H]1CC[C@H](N(c2[nH+]cccc2C)C2CC[NH2+]CC2)C1 ZINC001173664692 1384999567 /nfs/dbraw/zinc/99/95/67/1384999567.db2.gz NERWAZJIFCIEGE-AEFFLSMTSA-N 2 1 345.487 3.070 20 0 EGADMP COC(=O)c1ccc(C[C@@H](C)[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC001173723349 1385008942 /nfs/dbraw/zinc/00/89/42/1385008942.db2.gz HFMBSERNVPFHCU-QGZVFWFLSA-N 2 1 344.499 3.355 20 0 EGADMP CC(=O)Oc1ccc(C2CCC([NH2+]C[C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001173781554 1385016154 /nfs/dbraw/zinc/01/61/54/1385016154.db2.gz MEYCKIDHHIQNDO-MUYFXNHWSA-N 2 1 330.472 3.179 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001174880750 1385164226 /nfs/dbraw/zinc/16/42/26/1385164226.db2.gz GVYHYIFMWAJRPD-FXAWDEMLSA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001174882886 1385164892 /nfs/dbraw/zinc/16/48/92/1385164892.db2.gz XOZDGRMVFMUBPT-PKOBYXMFSA-N 2 1 337.552 3.457 20 0 EGADMP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174906380 1385168790 /nfs/dbraw/zinc/16/87/90/1385168790.db2.gz STCOXDZYJWKMIT-HBFSDRIKSA-N 2 1 345.531 3.182 20 0 EGADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H]2CNC(=O)C[NH+](C)C2CCC2)c1 ZINC001317500862 1385202862 /nfs/dbraw/zinc/20/28/62/1385202862.db2.gz CPUILGDWMBPUJB-FXAWDEMLSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCC[C@@H]2CNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001317500862 1385202865 /nfs/dbraw/zinc/20/28/65/1385202865.db2.gz CPUILGDWMBPUJB-FXAWDEMLSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1cccc([C@H](C)[NH+]2CCC[C@@H]2CNC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001317500862 1385202868 /nfs/dbraw/zinc/20/28/68/1385202868.db2.gz CPUILGDWMBPUJB-FXAWDEMLSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175273246 1385237010 /nfs/dbraw/zinc/23/70/10/1385237010.db2.gz QEBZNDBPJWLIPP-SFHVURJKSA-N 2 1 345.531 3.183 20 0 EGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001175296440 1385242166 /nfs/dbraw/zinc/24/21/66/1385242166.db2.gz OUNCLUHVCWNFNW-LJQANCHMSA-N 2 1 347.547 3.226 20 0 EGADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001175390558 1385272882 /nfs/dbraw/zinc/27/28/82/1385272882.db2.gz ZLLYWGMZYFWZCA-RLLQIKCJSA-N 2 1 345.531 3.006 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)[C@H](CC)c1ccccc1 ZINC001317542615 1385283405 /nfs/dbraw/zinc/28/34/05/1385283405.db2.gz FMEZRZNXYPGVAX-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[C@H](CC)c1ccccc1 ZINC001317542615 1385283409 /nfs/dbraw/zinc/28/34/09/1385283409.db2.gz FMEZRZNXYPGVAX-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[C@H](CC)c1ccccc1 ZINC001317542615 1385283412 /nfs/dbraw/zinc/28/34/12/1385283412.db2.gz FMEZRZNXYPGVAX-UXHICEINSA-N 2 1 345.531 3.450 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001175528359 1385320902 /nfs/dbraw/zinc/32/09/02/1385320902.db2.gz FGAHMUPOAKJPAD-KRWDZBQOSA-N 2 1 348.535 3.461 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C ZINC001175704314 1385378680 /nfs/dbraw/zinc/37/86/80/1385378680.db2.gz UTSPTIWHEKLSGW-KRWDZBQOSA-N 2 1 336.524 3.282 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)C1 ZINC001176269468 1385532277 /nfs/dbraw/zinc/53/22/77/1385532277.db2.gz UEQXUFJAVXAUNQ-ADKAHSJRSA-N 2 1 325.541 3.029 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001176268312 1385532578 /nfs/dbraw/zinc/53/25/78/1385532578.db2.gz IVJUAUCZQPWRBW-QGZVFWFLSA-N 2 1 339.568 3.419 20 0 EGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001176281536 1385537757 /nfs/dbraw/zinc/53/77/57/1385537757.db2.gz OCFGFZACISIHQY-FZKQIMNGSA-N 2 1 349.837 3.118 20 0 EGADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001176281536 1385537762 /nfs/dbraw/zinc/53/77/62/1385537762.db2.gz OCFGFZACISIHQY-FZKQIMNGSA-N 2 1 349.837 3.118 20 0 EGADMP CCC[NH+](C)CC(=O)N(Cc1ccccc1)[C@H]1CCC[N@H+](CCC)C1 ZINC001317865792 1385549731 /nfs/dbraw/zinc/54/97/31/1385549731.db2.gz YLSCEDYPNGIPFL-FQEVSTJZSA-N 2 1 345.531 3.231 20 0 EGADMP CCC[NH+](C)CC(=O)N(Cc1ccccc1)[C@H]1CCC[N@@H+](CCC)C1 ZINC001317865792 1385549735 /nfs/dbraw/zinc/54/97/35/1385549735.db2.gz YLSCEDYPNGIPFL-FQEVSTJZSA-N 2 1 345.531 3.231 20 0 EGADMP CC(C)CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317947993 1385581797 /nfs/dbraw/zinc/58/17/97/1385581797.db2.gz LYTBPUNWJXXDLZ-HXUWFJFHSA-N 2 1 345.531 3.379 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176565103 1385626800 /nfs/dbraw/zinc/62/68/00/1385626800.db2.gz SKHWUQUYIPOQGJ-IEBWSBKVSA-N 2 1 337.552 3.173 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH2+]CCC1CCCC1 ZINC001176601671 1385637962 /nfs/dbraw/zinc/63/79/62/1385637962.db2.gz XEGJNHHJDCRYGY-MRXNPFEDSA-N 2 1 334.508 3.036 20 0 EGADMP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001176753916 1385684281 /nfs/dbraw/zinc/68/42/81/1385684281.db2.gz OFLUJRJNIJFIHB-GOSISDBHSA-N 2 1 333.520 3.100 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176820510 1385713722 /nfs/dbraw/zinc/71/37/22/1385713722.db2.gz OONYUZNTHSOYRY-GOSISDBHSA-N 2 1 345.531 3.183 20 0 EGADMP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176820510 1385713728 /nfs/dbraw/zinc/71/37/28/1385713728.db2.gz OONYUZNTHSOYRY-GOSISDBHSA-N 2 1 345.531 3.183 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001318487950 1385720822 /nfs/dbraw/zinc/72/08/22/1385720822.db2.gz YEYVFGPATITGHD-XUVXKRRUSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001318487950 1385720828 /nfs/dbraw/zinc/72/08/28/1385720828.db2.gz YEYVFGPATITGHD-XUVXKRRUSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001318487950 1385720832 /nfs/dbraw/zinc/72/08/32/1385720832.db2.gz YEYVFGPATITGHD-XUVXKRRUSA-N 2 1 349.563 3.364 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH2+]CC1CCC(C)(C)CC1 ZINC001176843795 1385721668 /nfs/dbraw/zinc/72/16/68/1385721668.db2.gz BAXSQNHAYHQDKR-CALCHBBNSA-N 2 1 337.552 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001176991997 1385766477 /nfs/dbraw/zinc/76/64/77/1385766477.db2.gz GVHRJWRQKNSHKP-PKOBYXMFSA-N 2 1 331.504 3.026 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N(CCC[NH2+]C(C)C)CC2CCCC2)CC[N@H+]1C ZINC001177319456 1385912708 /nfs/dbraw/zinc/91/27/08/1385912708.db2.gz MAQFXCIQFHHRKW-RBUKOAKNSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@@H+](CC(=O)N(CCC[NH2+]CCC1CC1)CC1CCCC1)C1CCC1 ZINC001177345254 1385922229 /nfs/dbraw/zinc/92/22/29/1385922229.db2.gz XMKSRIFXRWKHHH-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001319113317 1385964291 /nfs/dbraw/zinc/96/42/91/1385964291.db2.gz IUWDDIQEDHBXNT-MOPGFXCFSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177466724 1385966552 /nfs/dbraw/zinc/96/65/52/1385966552.db2.gz CZVPMXCRSDZSPP-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001177484868 1385974554 /nfs/dbraw/zinc/97/45/54/1385974554.db2.gz LHTWCBIZDSBELH-HDICACEKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[C@H](F)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)C(C)C ZINC001177488901 1385976017 /nfs/dbraw/zinc/97/60/17/1385976017.db2.gz OBGZZGFOONCZML-SFHVURJKSA-N 2 1 343.531 3.073 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177488751 1385976091 /nfs/dbraw/zinc/97/60/91/1385976091.db2.gz KSFXFVXUCFXRCJ-HXUWFJFHSA-N 2 1 349.563 3.269 20 0 EGADMP CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001319278982 1386039100 /nfs/dbraw/zinc/03/91/00/1386039100.db2.gz LHWZBRDKSLFDIO-HNNXBMFYSA-N 2 1 342.487 3.148 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCC1([NH2+]CC(C)C)CCCC1)c1ccccc1 ZINC001319386287 1386096229 /nfs/dbraw/zinc/09/62/29/1386096229.db2.gz XKVXAFZXZLKRTP-LJQANCHMSA-N 2 1 345.531 3.354 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]CC2(NC(=O)[C@H]3CCC[N@H+]3C)CCCC2)c1 ZINC001698628452 1406271040 /nfs/dbraw/zinc/27/10/40/1406271040.db2.gz ULLYVCQCXPHXGK-PKOBYXMFSA-N 2 1 343.515 3.169 20 0 EGADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)s1 ZINC001178291534 1386181786 /nfs/dbraw/zinc/18/17/86/1386181786.db2.gz YLZLXOSEANPNNG-GOSISDBHSA-N 2 1 330.497 3.303 20 0 EGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001178468143 1386226202 /nfs/dbraw/zinc/22/62/02/1386226202.db2.gz PJXZKGCHFOOBDC-UEKDZROGSA-N 2 1 337.552 3.482 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CCCCCF ZINC001178467746 1386226478 /nfs/dbraw/zinc/22/64/78/1386226478.db2.gz HKLPZYOEUZNYMN-GOSISDBHSA-N 2 1 343.531 3.265 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)[C@@H](C)C1 ZINC001319714904 1386265622 /nfs/dbraw/zinc/26/56/22/1386265622.db2.gz PZAHXSVAEDTMHG-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP CC1CC(C[NH2+]CCCCCCNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001178698636 1386281379 /nfs/dbraw/zinc/28/13/79/1386281379.db2.gz PIMXWVJBASHFLU-ABHNRTSZSA-N 2 1 346.519 3.073 20 0 EGADMP CC/C=C/CC[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001178729353 1386292013 /nfs/dbraw/zinc/29/20/13/1386292013.db2.gz VHBKJEBNACILQT-PXPVJAHISA-N 2 1 337.552 3.483 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001178810287 1386313711 /nfs/dbraw/zinc/31/37/11/1386313711.db2.gz BHJBENBGEDMPBW-OALUTQOASA-N 2 1 337.552 3.460 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178810285 1386314344 /nfs/dbraw/zinc/31/43/44/1386314344.db2.gz BHJBENBGEDMPBW-MOPGFXCFSA-N 2 1 337.552 3.460 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1cccc(F)c1 ZINC001178827399 1386319670 /nfs/dbraw/zinc/31/96/70/1386319670.db2.gz ILBGQYCUENMNQC-LJQANCHMSA-N 2 1 349.494 3.076 20 0 EGADMP CCC[N@@H+](C)CCC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001319888945 1386365632 /nfs/dbraw/zinc/36/56/32/1386365632.db2.gz RYFYHVQRWZUXCW-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]CCC2CC2)C1 ZINC001179357633 1386462020 /nfs/dbraw/zinc/46/20/20/1386462020.db2.gz HRVCAANXSZHZBW-LJQANCHMSA-N 2 1 337.552 3.175 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]CC2CCC2)C1 ZINC001179358098 1386462677 /nfs/dbraw/zinc/46/26/77/1386462677.db2.gz VGOCONVREFMXCC-LJQANCHMSA-N 2 1 337.552 3.175 20 0 EGADMP CN(CC[N@@H+](C)CCC1CCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001320084057 1386500429 /nfs/dbraw/zinc/50/04/29/1386500429.db2.gz BSXDQQFKRBPNMO-UHFFFAOYSA-N 2 1 345.531 3.332 20 0 EGADMP CCC/C=C\CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001179580616 1386521707 /nfs/dbraw/zinc/52/17/07/1386521707.db2.gz KESPRBIFVUVZCW-SFFCAUCYSA-N 2 1 337.552 3.483 20 0 EGADMP CCC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001179585486 1386523921 /nfs/dbraw/zinc/52/39/21/1386523921.db2.gz IXOMHXIWGBSBOD-PWBPZBFBSA-N 2 1 337.552 3.197 20 0 EGADMP CCC/C=C/CC[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001179587326 1386524472 /nfs/dbraw/zinc/52/44/72/1386524472.db2.gz YLNQNHAYZGDYJH-ZMBJWTFHSA-N 2 1 337.552 3.341 20 0 EGADMP C[N@@H+](CC(=O)NCCCCCC[NH2+]Cc1ccccc1)CC(C)(C)C ZINC001179593165 1386526455 /nfs/dbraw/zinc/52/64/55/1386526455.db2.gz YDXFHBYEJYWXCS-UHFFFAOYSA-N 2 1 347.547 3.431 20 0 EGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001179591516 1386527046 /nfs/dbraw/zinc/52/70/46/1386527046.db2.gz VYRKFLIRVAACII-MJGOQNOKSA-N 2 1 349.563 3.031 20 0 EGADMP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179652089 1386540858 /nfs/dbraw/zinc/54/08/58/1386540858.db2.gz OOFVWVHDVRWCBT-ULQDDVLXSA-N 2 1 334.508 3.022 20 0 EGADMP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001179746209 1386569875 /nfs/dbraw/zinc/56/98/75/1386569875.db2.gz QZCUWVFMYAZYRQ-MSOLQXFVSA-N 2 1 343.531 3.264 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179792371 1386587504 /nfs/dbraw/zinc/58/75/04/1386587504.db2.gz IEBGMCPPLFRDLQ-RBUKOAKNSA-N 2 1 337.552 3.460 20 0 EGADMP CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@H]2C)cc1 ZINC001179861460 1386609959 /nfs/dbraw/zinc/60/99/59/1386609959.db2.gz WZALGBQFGSJORV-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2N2CCCC2)C1 ZINC001320508822 1386632975 /nfs/dbraw/zinc/63/29/75/1386632975.db2.gz ISQCSTAXBWJZSW-LJQANCHMSA-N 2 1 327.516 3.451 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2N2CCCC2)C1 ZINC001320508822 1386632980 /nfs/dbraw/zinc/63/29/80/1386632980.db2.gz ISQCSTAXBWJZSW-LJQANCHMSA-N 2 1 327.516 3.451 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccccc2N2CCCC2)C1 ZINC001320508822 1386632981 /nfs/dbraw/zinc/63/29/81/1386632981.db2.gz ISQCSTAXBWJZSW-LJQANCHMSA-N 2 1 327.516 3.451 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001320508822 1386632983 /nfs/dbraw/zinc/63/29/83/1386632983.db2.gz ISQCSTAXBWJZSW-LJQANCHMSA-N 2 1 327.516 3.451 20 0 EGADMP CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001179926497 1386633643 /nfs/dbraw/zinc/63/36/43/1386633643.db2.gz YMVRFFJUIRGUIU-YWZLYKJASA-N 2 1 331.479 3.340 20 0 EGADMP CN(C)c1ccc(F)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001179926497 1386633646 /nfs/dbraw/zinc/63/36/46/1386633646.db2.gz YMVRFFJUIRGUIU-YWZLYKJASA-N 2 1 331.479 3.340 20 0 EGADMP CN(C)c1ccc(F)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001179926497 1386633649 /nfs/dbraw/zinc/63/36/49/1386633649.db2.gz YMVRFFJUIRGUIU-YWZLYKJASA-N 2 1 331.479 3.340 20 0 EGADMP CN(C)c1ccc(F)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001179926497 1386633651 /nfs/dbraw/zinc/63/36/51/1386633651.db2.gz YMVRFFJUIRGUIU-YWZLYKJASA-N 2 1 331.479 3.340 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]C(C)C ZINC001180035605 1386675529 /nfs/dbraw/zinc/67/55/29/1386675529.db2.gz LETGRNUUGKKDKR-GOSISDBHSA-N 2 1 325.541 3.316 20 0 EGADMP C[N@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001180264542 1386749910 /nfs/dbraw/zinc/74/99/10/1386749910.db2.gz IBSWQYKWWSUAIN-LJQANCHMSA-N 2 1 349.563 3.175 20 0 EGADMP C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1F ZINC001180264992 1386750390 /nfs/dbraw/zinc/75/03/90/1386750390.db2.gz MDQYFLOCINFJEY-IRXDYDNUSA-N 2 1 349.494 3.105 20 0 EGADMP Cc1ccc(C[NH2+]CCCCCCNC(=O)C[N@H+](C)C(C)C)cc1C ZINC001180369708 1386776573 /nfs/dbraw/zinc/77/65/73/1386776573.db2.gz UDNUBGXCMINYTM-UHFFFAOYSA-N 2 1 347.547 3.410 20 0 EGADMP CC[NH+]1CCC(C[N@H+](CCN(C)C)Cc2ccc(F)c(F)c2)CC1 ZINC001181487019 1387002880 /nfs/dbraw/zinc/00/28/80/1387002880.db2.gz OUOQTWXAGXKFMF-UHFFFAOYSA-N 2 1 339.474 3.060 20 0 EGADMP CC[NH+]1CCC(C[N@@H+](CCN(C)C)Cc2ccc(F)c(F)c2)CC1 ZINC001181487019 1387002881 /nfs/dbraw/zinc/00/28/81/1387002881.db2.gz OUOQTWXAGXKFMF-UHFFFAOYSA-N 2 1 339.474 3.060 20 0 EGADMP CCCCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001181869589 1387066764 /nfs/dbraw/zinc/06/67/64/1387066764.db2.gz WZLXFBYVAFRIRQ-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCCCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001181869589 1387066768 /nfs/dbraw/zinc/06/67/68/1387066768.db2.gz WZLXFBYVAFRIRQ-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CCCCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001181869589 1387066770 /nfs/dbraw/zinc/06/67/70/1387066770.db2.gz WZLXFBYVAFRIRQ-IBGZPJMESA-N 2 1 337.552 3.269 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001322267940 1387128709 /nfs/dbraw/zinc/12/87/09/1387128709.db2.gz AGYCUPHZQZPEEL-ICSRJNTNSA-N 2 1 345.531 3.306 20 0 EGADMP CC[NH+](CC)Cc1ccc(-c2nnc(CCCn3cc[nH+]c3C)o2)o1 ZINC001322504474 1387197151 /nfs/dbraw/zinc/19/71/51/1387197151.db2.gz RKPQKVWGEFYNEC-UHFFFAOYSA-N 2 1 343.431 3.309 20 0 EGADMP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC001336785284 1389168955 /nfs/dbraw/zinc/16/89/55/1389168955.db2.gz NHODQVDIIWQYTK-WBMJQRKESA-N 2 1 328.859 3.223 20 0 EGADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001336890026 1389197744 /nfs/dbraw/zinc/19/77/44/1389197744.db2.gz ZOXYNNZJADBABQ-UEXGIBASSA-N 2 1 338.499 3.343 20 0 EGADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cnc1F ZINC001337793367 1389444857 /nfs/dbraw/zinc/44/48/57/1389444857.db2.gz YYFMAOICUYMCLI-GOSISDBHSA-N 2 1 327.447 3.183 20 0 EGADMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cnc1F ZINC001337793367 1389444861 /nfs/dbraw/zinc/44/48/61/1389444861.db2.gz YYFMAOICUYMCLI-GOSISDBHSA-N 2 1 327.447 3.183 20 0 EGADMP Cc1c(F)cccc1NC(=O)CC[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC001338450145 1389686266 /nfs/dbraw/zinc/68/62/66/1389686266.db2.gz XPRKXCGWFMSXLV-OAHLLOKOSA-N 2 1 335.467 3.317 20 0 EGADMP C[C@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC001331291401 1389688786 /nfs/dbraw/zinc/68/87/86/1389688786.db2.gz WRYNXOZBKYEDNW-OXJNMPFZSA-N 2 1 343.515 3.059 20 0 EGADMP Cc1ccc(C)c(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001698750533 1406401655 /nfs/dbraw/zinc/40/16/55/1406401655.db2.gz YTUUXAPXPZXHMO-XLIONFOSSA-N 2 1 345.531 3.018 20 0 EGADMP Cc1c(C(=O)Nc2ccc(C[NH+](C)C)cc2C)cnn1-c1cc[nH+]cc1 ZINC001339523416 1390055436 /nfs/dbraw/zinc/05/54/36/1390055436.db2.gz IPBPWCRNPDVHJI-UHFFFAOYSA-N 2 1 349.438 3.198 20 0 EGADMP C[C@@H]([NH3+])c1nc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cs1 ZINC001340055549 1390216784 /nfs/dbraw/zinc/21/67/84/1390216784.db2.gz BPTUUGHRIKEQKY-CYBMUJFWSA-N 2 1 344.484 3.053 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H](C[NH3+])C2CCCCCC2)cn1 ZINC001340167784 1390240544 /nfs/dbraw/zinc/24/05/44/1390240544.db2.gz JWKLXGKORSNQQA-KRWDZBQOSA-N 2 1 341.459 3.060 20 0 EGADMP CC[C@H](C)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001340866043 1390389073 /nfs/dbraw/zinc/38/90/73/1390389073.db2.gz WVTVLARBEKBXDQ-ZULIPRJHSA-N 2 1 345.531 3.261 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)ccc1OC ZINC001333841889 1390420213 /nfs/dbraw/zinc/42/02/13/1390420213.db2.gz OZADHKHMQDOYOC-OKZBNKHCSA-N 2 1 332.488 3.256 20 0 EGADMP COc1ccc2[nH+]ccc(N3CCC[C@@H](Cc4[nH+]ccn4C)C3)c2c1 ZINC001334168953 1390492689 /nfs/dbraw/zinc/49/26/89/1390492689.db2.gz SSYNWGPYXAEKDN-HNNXBMFYSA-N 2 1 336.439 3.436 20 0 EGADMP C[C@H](C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C)NC(=O)OC(C)(C)C ZINC001341585244 1390506240 /nfs/dbraw/zinc/50/62/40/1390506240.db2.gz BZEHXTDIIUJBMA-JJXSEGSLSA-N 2 1 327.513 3.141 20 0 EGADMP CCN(CC)c1ncc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)s1 ZINC001335133860 1390646838 /nfs/dbraw/zinc/64/68/38/1390646838.db2.gz LLANUISDDBBEJI-HRCADAONSA-N 2 1 336.549 3.151 20 0 EGADMP Cc1c(C(=O)OC[C@H]2CC[N@@H+]2Cc2ccccc2)ccc2c[nH+]cn21 ZINC001345065188 1390834612 /nfs/dbraw/zinc/83/46/12/1390834612.db2.gz DOBBRWXSOPTKSN-GOSISDBHSA-N 2 1 335.407 3.074 20 0 EGADMP Cc1c(C(=O)OC[C@H]2CC[N@H+]2Cc2ccccc2)ccc2c[nH+]cn21 ZINC001345065188 1390834614 /nfs/dbraw/zinc/83/46/14/1390834614.db2.gz DOBBRWXSOPTKSN-GOSISDBHSA-N 2 1 335.407 3.074 20 0 EGADMP CC(C)c1cn(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(=S)n1C ZINC001345107533 1390837888 /nfs/dbraw/zinc/83/78/88/1390837888.db2.gz BBZGPXPBOOUXBE-XHSDSOJGSA-N 2 1 336.549 3.299 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)c2cc1C ZINC001346017150 1390901176 /nfs/dbraw/zinc/90/11/76/1390901176.db2.gz KNUKZGXNAWGPNQ-UHFFFAOYSA-N 2 1 340.467 3.375 20 0 EGADMP C[C@@H]1C[C@H]2CC[C@H](C(=O)NC3CC[NH+](C4CCCCC4)CC3)C[N@H+]2C1 ZINC001347980328 1391153787 /nfs/dbraw/zinc/15/37/87/1391153787.db2.gz ISTFIJFYDQNMIW-FUHIMQAGSA-N 2 1 347.547 3.020 20 0 EGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)c1 ZINC001349366674 1391323875 /nfs/dbraw/zinc/32/38/75/1391323875.db2.gz DESFYWUXPWMAAI-KVSKMBFKSA-N 2 1 329.488 3.116 20 0 EGADMP C[NH+](C)Cc1ccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1Cl ZINC001349896733 1391382608 /nfs/dbraw/zinc/38/26/08/1391382608.db2.gz LJZLNPYZYNBAJM-QGZVFWFLSA-N 2 1 331.847 3.430 20 0 EGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@@H](C[NH3+])CC(C)C)CC2)cc1 ZINC001350398908 1391458421 /nfs/dbraw/zinc/45/84/21/1391458421.db2.gz RISFXWPDRSGDEC-FQEVSTJZSA-N 2 1 345.531 3.040 20 0 EGADMP Cn1c2ccccc2n(C[N@@H+]2C[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]3C2)c1=S ZINC001352759889 1391843995 /nfs/dbraw/zinc/84/39/95/1391843995.db2.gz HJCLLSWIGAYHIK-OWCLPIDISA-N 2 1 344.528 3.329 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC001353338746 1391992048 /nfs/dbraw/zinc/99/20/48/1391992048.db2.gz IVKQBHQJYJAGLV-CJNGLKHVSA-N 2 1 330.394 3.060 20 0 EGADMP C[C@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001698845702 1406546030 /nfs/dbraw/zinc/54/60/30/1406546030.db2.gz NLNNGXRLXOMBNI-QGZVFWFLSA-N 2 1 339.568 3.371 20 0 EGADMP CCC(CC)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001480328628 1392687911 /nfs/dbraw/zinc/68/79/11/1392687911.db2.gz XOMDPHDQSXIFSF-SFHVURJKSA-N 2 1 348.535 3.413 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001480328628 1392687912 /nfs/dbraw/zinc/68/79/12/1392687912.db2.gz XOMDPHDQSXIFSF-SFHVURJKSA-N 2 1 348.535 3.413 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1CC1CCCCCC1 ZINC001480330439 1392689820 /nfs/dbraw/zinc/68/98/20/1392689820.db2.gz CUGHFQOOKWXOAK-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP Cc1c(C(=O)NCC[N@H+](C)C/C=C\c2ccccc2)ccc2c[nH+]cn21 ZINC001480884487 1392998563 /nfs/dbraw/zinc/99/85/63/1392998563.db2.gz VAAOPZDPFOUFLT-TWGQIWQCSA-N 2 1 348.450 3.018 20 0 EGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480945942 1393039978 /nfs/dbraw/zinc/03/99/78/1393039978.db2.gz GOMKGGFXNIJXKF-AEFFLSMTSA-N 2 1 345.531 3.045 20 0 EGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480945942 1393039984 /nfs/dbraw/zinc/03/99/84/1393039984.db2.gz GOMKGGFXNIJXKF-AEFFLSMTSA-N 2 1 345.531 3.045 20 0 EGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480945942 1393039986 /nfs/dbraw/zinc/03/99/86/1393039986.db2.gz GOMKGGFXNIJXKF-AEFFLSMTSA-N 2 1 345.531 3.045 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)[C@H](C)c1cccc(C)c1 ZINC001480979352 1393063824 /nfs/dbraw/zinc/06/38/24/1393063824.db2.gz GWOJRRFLWUQCCN-UYAOXDASSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC)[C@H](C)c1cccc(C)c1 ZINC001480979352 1393063827 /nfs/dbraw/zinc/06/38/27/1393063827.db2.gz GWOJRRFLWUQCCN-UYAOXDASSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC)[C@H](C)c1cccc(C)c1 ZINC001480979352 1393063832 /nfs/dbraw/zinc/06/38/32/1393063832.db2.gz GWOJRRFLWUQCCN-UYAOXDASSA-N 2 1 345.531 3.369 20 0 EGADMP CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001481286830 1393158642 /nfs/dbraw/zinc/15/86/42/1393158642.db2.gz CLHVDYKMBRTVOI-PMACEKPBSA-N 2 1 345.531 3.449 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N1CCC([C@@H](C)[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001481344589 1393169459 /nfs/dbraw/zinc/16/94/59/1393169459.db2.gz ZIWMEDYSUAKQOJ-DLBZAZTESA-N 2 1 348.535 3.090 20 0 EGADMP CC(C)[NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccc(C(C)C)cc1 ZINC001481361574 1394201674 /nfs/dbraw/zinc/20/16/74/1394201674.db2.gz ZWKABZNKTUWNSP-HXUWFJFHSA-N 2 1 345.531 3.450 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001698941946 1406681852 /nfs/dbraw/zinc/68/18/52/1406681852.db2.gz YTVXLJRDLKTHDG-ICSRJNTNSA-N 2 1 345.531 3.054 20 0 EGADMP C[N@@H+](CCC1CCCC1)C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481500887 1394346623 /nfs/dbraw/zinc/34/66/23/1394346623.db2.gz SOXGMZMCVAQZKQ-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@@H+](CC3CCC(C)(C)CC3)C2)CCC1 ZINC001481526463 1394378252 /nfs/dbraw/zinc/37/82/52/1394378252.db2.gz DVXRAONTPMOOBM-GOSISDBHSA-N 2 1 349.563 3.268 20 0 EGADMP CC1(C)CCC(C[N@H+]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001481710057 1394469195 /nfs/dbraw/zinc/46/91/95/1394469195.db2.gz SVPVVDWWJLYICU-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1CCCC(C)(C)C ZINC001491231126 1394486509 /nfs/dbraw/zinc/48/65/09/1394486509.db2.gz XKYIBOKUQPTKGX-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC(C)(C)C ZINC001491231126 1394486511 /nfs/dbraw/zinc/48/65/11/1394486511.db2.gz XKYIBOKUQPTKGX-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1CCCC(C)(C)C ZINC001491231126 1394486515 /nfs/dbraw/zinc/48/65/15/1394486515.db2.gz XKYIBOKUQPTKGX-KRWDZBQOSA-N 2 1 325.541 3.125 20 0 EGADMP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001491299637 1394500987 /nfs/dbraw/zinc/50/09/87/1394500987.db2.gz HPVUDXCIZBNZKE-UYAOXDASSA-N 2 1 349.563 3.269 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCCC2)CCCC1 ZINC001482226739 1394821118 /nfs/dbraw/zinc/82/11/18/1394821118.db2.gz SQUQZTHREXYTGB-GOSISDBHSA-N 2 1 335.536 3.070 20 0 EGADMP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C)c(C)c1 ZINC001482330666 1394899977 /nfs/dbraw/zinc/89/99/77/1394899977.db2.gz LDHIWNFSAHRZQS-GOSISDBHSA-N 2 1 347.547 3.218 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001483932558 1395150111 /nfs/dbraw/zinc/15/01/11/1395150111.db2.gz JZMIZEBRPUGXGE-RTBURBONSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@]1(C)CC[N@H+](CCCC(C)(C)C)C1 ZINC001484065390 1395227981 /nfs/dbraw/zinc/22/79/81/1395227981.db2.gz LOWGZZNMHFCGMX-HXUWFJFHSA-N 2 1 348.535 3.379 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@]1(C)CC[N@@H+](CCCC(C)(C)C)C1 ZINC001484065390 1395227987 /nfs/dbraw/zinc/22/79/87/1395227987.db2.gz LOWGZZNMHFCGMX-HXUWFJFHSA-N 2 1 348.535 3.379 20 0 EGADMP CC[C@H](C(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1cccc(C)c1)[NH+](C)C ZINC001484765819 1395519833 /nfs/dbraw/zinc/51/98/33/1395519833.db2.gz SVWKDENUQANJGT-PKOBYXMFSA-N 2 1 333.520 3.177 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CC1CCCCC1 ZINC001484976100 1395616263 /nfs/dbraw/zinc/61/62/63/1395616263.db2.gz BGTKNYCFYBKWPK-SJLPKXTDSA-N 2 1 335.536 3.020 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C)[C@H](C)C1 ZINC001484985249 1395628817 /nfs/dbraw/zinc/62/88/17/1395628817.db2.gz DOCCKPDCDUBGAL-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C)[C@H](C)C1 ZINC001484985249 1395628823 /nfs/dbraw/zinc/62/88/23/1395628823.db2.gz DOCCKPDCDUBGAL-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C)[C@H](C)C1 ZINC001484985249 1395628828 /nfs/dbraw/zinc/62/88/28/1395628828.db2.gz DOCCKPDCDUBGAL-UYAOXDASSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1ccccc1F ZINC001698989634 1406776483 /nfs/dbraw/zinc/77/64/83/1406776483.db2.gz NFIGELPMCFHMNG-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@H](C)c1ccccc1F ZINC001698989634 1406776489 /nfs/dbraw/zinc/77/64/89/1406776489.db2.gz NFIGELPMCFHMNG-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)[C@H](C)c1ccccc1F ZINC001698989634 1406776491 /nfs/dbraw/zinc/77/64/91/1406776491.db2.gz NFIGELPMCFHMNG-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccccc1F ZINC001698989634 1406776495 /nfs/dbraw/zinc/77/64/95/1406776495.db2.gz NFIGELPMCFHMNG-APWZRJJASA-N 2 1 349.494 3.151 20 0 EGADMP CCCC[C@@H](C[NH2+]Cc1ccc(C)cc1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001485465705 1395940532 /nfs/dbraw/zinc/94/05/32/1395940532.db2.gz MIPINEFQRGLVQM-PMACEKPBSA-N 2 1 345.531 3.244 20 0 EGADMP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001501170576 1396189046 /nfs/dbraw/zinc/18/90/46/1396189046.db2.gz ZPHQSSCSAPZGFI-REPLKXPHSA-N 2 1 349.563 3.124 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001687475436 1396386897 /nfs/dbraw/zinc/38/68/97/1396386897.db2.gz CYJLSVAPMXNGOZ-UYAOXDASSA-N 2 1 343.515 3.073 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001687475436 1396386903 /nfs/dbraw/zinc/38/69/03/1396386903.db2.gz CYJLSVAPMXNGOZ-UYAOXDASSA-N 2 1 343.515 3.073 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)C1CCC1)CC2 ZINC001495974681 1396584304 /nfs/dbraw/zinc/58/43/04/1396584304.db2.gz YVOMNERDSRNRLQ-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001690029161 1404267918 /nfs/dbraw/zinc/26/79/18/1404267918.db2.gz VPHVPSQVMYRKSJ-HXUWFJFHSA-N 2 1 345.531 3.402 20 0 EGADMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CCC[NH+](C)C)cc1C ZINC001690453008 1404579299 /nfs/dbraw/zinc/57/92/99/1404579299.db2.gz PSYUUDQUOOBRNF-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001690816964 1404751523 /nfs/dbraw/zinc/75/15/23/1404751523.db2.gz HAVVLMRAFSQZNF-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NCC[N@@H+](C)CC1CCCCC1 ZINC001690946986 1404854923 /nfs/dbraw/zinc/85/49/23/1404854923.db2.gz XAYQABVZZGFXBU-UHFFFAOYSA-N 2 1 337.533 3.052 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)Cc1ccc(F)cc1 ZINC001691043198 1404952829 /nfs/dbraw/zinc/95/28/29/1404952829.db2.gz AYLJGTSNUHKJLT-KRWDZBQOSA-N 2 1 349.494 3.028 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)[C@@H](C)c1ccccc1 ZINC001691043611 1404954479 /nfs/dbraw/zinc/95/44/79/1404954479.db2.gz SFKVPNQSXMVTCM-ICSRJNTNSA-N 2 1 345.531 3.449 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[C@@H](C)c1ccccc1 ZINC001691043611 1404954481 /nfs/dbraw/zinc/95/44/81/1404954481.db2.gz SFKVPNQSXMVTCM-ICSRJNTNSA-N 2 1 345.531 3.449 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)[C@@H](C)c1ccccc1 ZINC001691043611 1404954482 /nfs/dbraw/zinc/95/44/82/1404954482.db2.gz SFKVPNQSXMVTCM-ICSRJNTNSA-N 2 1 345.531 3.449 20 0 EGADMP CCCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001691860468 1405578397 /nfs/dbraw/zinc/57/83/97/1405578397.db2.gz HGZQORDUZAYSBI-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001691860468 1405578399 /nfs/dbraw/zinc/57/83/99/1405578399.db2.gz HGZQORDUZAYSBI-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001691860468 1405578402 /nfs/dbraw/zinc/57/84/02/1405578402.db2.gz HGZQORDUZAYSBI-VQTJNVASSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC001698585093 1406201016 /nfs/dbraw/zinc/20/10/16/1406201016.db2.gz JVTZHYQSFCYNQO-DLBZAZTESA-N 2 1 349.494 3.151 20 0 EGADMP C[NH+](C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1)c1ccccc1 ZINC001732313840 1428525820 /nfs/dbraw/zinc/52/58/20/1428525820.db2.gz ZXTVRRPMOGLQTK-VAMGGRTRSA-N 2 1 343.515 3.106 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001732314220 1428526010 /nfs/dbraw/zinc/52/60/10/1428526010.db2.gz OHDAWTVUBWRPCI-SNRMKQJTSA-N 2 1 349.494 3.246 20 0 EGADMP O=C(NCC1([NH2+]CC2CC2)CCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001732395490 1428563132 /nfs/dbraw/zinc/56/31/32/1428563132.db2.gz PIGFUZGBUAUMMY-IBGZPJMESA-N 2 1 347.547 3.212 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001732399188 1428565506 /nfs/dbraw/zinc/56/55/06/1428565506.db2.gz XIKLMBSRYWKOSD-ROUUACIJSA-N 2 1 343.515 3.026 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+][C@H](C)c2cccc(C)c2)CCCC1 ZINC001732400083 1428566163 /nfs/dbraw/zinc/56/61/63/1428566163.db2.gz VGNQSTRDCBCOKV-GOSISDBHSA-N 2 1 345.531 3.416 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CCCCC1 ZINC001732477372 1428603383 /nfs/dbraw/zinc/60/33/83/1428603383.db2.gz MOSVWMFNKTUPAA-VQTJNVASSA-N 2 1 347.547 3.236 20 0 EGADMP Cc1cc(C)cc(C[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001699473953 1412862879 /nfs/dbraw/zinc/86/28/79/1412862879.db2.gz GHJGKZJZRSJRQR-LJQANCHMSA-N 2 1 345.531 3.116 20 0 EGADMP C[NH+]1CCC(C(=O)NCC[N@@H+](CC2CCC2)C2CCCCCC2)CC1 ZINC001699682979 1413077522 /nfs/dbraw/zinc/07/75/22/1413077522.db2.gz DPHFQUYCFQHHDG-UHFFFAOYSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1nccn1CCCC(=O)N[C@@]1(C)CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001699856854 1413288316 /nfs/dbraw/zinc/28/83/16/1413288316.db2.gz XZEOCKSIWLFAMB-XLIONFOSSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@]1(C)CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC001699856854 1413288320 /nfs/dbraw/zinc/28/83/20/1413288320.db2.gz XZEOCKSIWLFAMB-XLIONFOSSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@]1(C)CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001699856854 1413288322 /nfs/dbraw/zinc/28/83/22/1413288322.db2.gz XZEOCKSIWLFAMB-XLIONFOSSA-N 2 1 348.535 3.235 20 0 EGADMP CN(CC[N@@H+](C)CC1CCC(C)(C)CC1)C(=O)C[NH+](C)C1CCC1 ZINC001732585316 1428797141 /nfs/dbraw/zinc/79/71/41/1428797141.db2.gz KJYUOWGNMKVUSI-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CN(CC[NH+](C)CC1CCC(C)(C)CC1)C(=O)C[N@H+](C)C1CCC1 ZINC001732585316 1428797145 /nfs/dbraw/zinc/79/71/45/1428797145.db2.gz KJYUOWGNMKVUSI-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CN(CC[NH+](C)CC1CCC(C)(C)CC1)C(=O)C[N@@H+](C)C1CCC1 ZINC001732585316 1428797148 /nfs/dbraw/zinc/79/71/48/1428797148.db2.gz KJYUOWGNMKVUSI-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](C)CCCC(C)(C)C)CC1 ZINC001700697479 1414356621 /nfs/dbraw/zinc/35/66/21/1414356621.db2.gz BPWDSXMZERYUPY-UHFFFAOYSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@H+](C)CCCC(C)(C)C)CC1 ZINC001700697479 1414356625 /nfs/dbraw/zinc/35/66/25/1414356625.db2.gz BPWDSXMZERYUPY-UHFFFAOYSA-N 2 1 325.541 3.077 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](C)CCCC(C)(C)C)CC1 ZINC001700697479 1414356629 /nfs/dbraw/zinc/35/66/29/1414356629.db2.gz BPWDSXMZERYUPY-UHFFFAOYSA-N 2 1 325.541 3.077 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CCC[NH2+]C/C=C\Cl)c1ccccc1 ZINC001700704945 1414361567 /nfs/dbraw/zinc/36/15/67/1414361567.db2.gz DKUIRWOBZSLKFN-XTQWYIJYSA-N 2 1 349.906 3.060 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001713377572 1417987802 /nfs/dbraw/zinc/98/78/02/1417987802.db2.gz SKYYQVFBUPJDKT-OALUTQOASA-N 2 1 349.563 3.458 20 0 EGADMP CC[C@H](C(=O)NCC[N@@H+](CC)[C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001713496257 1418205355 /nfs/dbraw/zinc/20/53/55/1418205355.db2.gz OGRHNVDSDCXWJW-WMLDXEAASA-N 2 1 339.911 3.179 20 0 EGADMP CC1(C)CCC(C[N@@H+](CCNC(=O)CCn2ccnc2)C2CC2)CC1 ZINC001713558971 1418355762 /nfs/dbraw/zinc/35/57/62/1418355762.db2.gz AQQFZXITEFNQFX-UHFFFAOYSA-N 2 1 346.519 3.070 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001713682454 1418434658 /nfs/dbraw/zinc/43/46/58/1418434658.db2.gz BKNQXDIBMCLCIQ-ROUUACIJSA-N 2 1 345.531 3.306 20 0 EGADMP C[N@@H+](CCCC1CCC1)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001713764491 1418576775 /nfs/dbraw/zinc/57/67/75/1418576775.db2.gz FATGTQKYJQMSEW-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCC1)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001713764491 1418576777 /nfs/dbraw/zinc/57/67/77/1418576777.db2.gz FATGTQKYJQMSEW-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](CCCC1CCC1)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001713764491 1418576779 /nfs/dbraw/zinc/57/67/79/1418576779.db2.gz FATGTQKYJQMSEW-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2(C[NH2+]CC3CC(C)C3)CCCC2)C1 ZINC001714140509 1418942764 /nfs/dbraw/zinc/94/27/64/1418942764.db2.gz MGHRTZITJKVCEB-CTWPCTMYSA-N 2 1 349.563 3.173 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+]CC2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCCC2)c1 ZINC001714150743 1418957185 /nfs/dbraw/zinc/95/71/85/1418957185.db2.gz HGCCQAZLBKSDQH-MJGOQNOKSA-N 2 1 343.515 3.026 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC001714277777 1419058103 /nfs/dbraw/zinc/05/81/03/1419058103.db2.gz DUBAVPWWCWDXIV-DLBZAZTESA-N 2 1 342.487 3.170 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2)CC1 ZINC001714313813 1419094842 /nfs/dbraw/zinc/09/48/42/1419094842.db2.gz TZTFBPUYKPHYPG-WDSOQIARSA-N 2 1 331.504 3.106 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001714413726 1419152001 /nfs/dbraw/zinc/15/20/01/1419152001.db2.gz XTQXOIOGHBBYEY-RTBURBONSA-N 2 1 337.552 3.316 20 0 EGADMP C[NH+](CCCC1CCCC1)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001714439760 1419171401 /nfs/dbraw/zinc/17/14/01/1419171401.db2.gz YOMOOVLVNJCLQM-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]([N@H+](C)CCCC2CCCC2)C1)C1CCC1 ZINC001714439760 1419171403 /nfs/dbraw/zinc/17/14/03/1419171403.db2.gz YOMOOVLVNJCLQM-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]([N@@H+](C)CCCC2CCCC2)C1)C1CCC1 ZINC001714439760 1419171405 /nfs/dbraw/zinc/17/14/05/1419171405.db2.gz YOMOOVLVNJCLQM-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)[C@H](C)c1cccc2ccccc21 ZINC001714565775 1419294347 /nfs/dbraw/zinc/29/43/47/1419294347.db2.gz KWAUUAPTWQEHRJ-QGZVFWFLSA-N 2 1 341.499 3.291 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)[C@H](C)c1cccc2ccccc21 ZINC001714565775 1419294348 /nfs/dbraw/zinc/29/43/48/1419294348.db2.gz KWAUUAPTWQEHRJ-QGZVFWFLSA-N 2 1 341.499 3.291 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)[C@H](C)c1cccc2ccccc21 ZINC001714565775 1419294350 /nfs/dbraw/zinc/29/43/50/1419294350.db2.gz KWAUUAPTWQEHRJ-QGZVFWFLSA-N 2 1 341.499 3.291 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001714572050 1419305127 /nfs/dbraw/zinc/30/51/27/1419305127.db2.gz IAQYZFCETAPIQO-KRWDZBQOSA-N 2 1 339.483 3.171 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@@H](C)c1ccccc1F ZINC001714619291 1419384394 /nfs/dbraw/zinc/38/43/94/1419384394.db2.gz OISVARZNTJQJIL-DLBZAZTESA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)c1ccccc1F ZINC001714619291 1419384398 /nfs/dbraw/zinc/38/43/98/1419384398.db2.gz OISVARZNTJQJIL-DLBZAZTESA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)c1ccccc1F ZINC001714619291 1419384401 /nfs/dbraw/zinc/38/44/01/1419384401.db2.gz OISVARZNTJQJIL-DLBZAZTESA-N 2 1 349.494 3.199 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC/C=C\c1ccccc1)[NH+](C)C ZINC001714622568 1419390493 /nfs/dbraw/zinc/39/04/93/1419390493.db2.gz RCZOBWXRZVMODE-MUMTWGKBSA-N 2 1 343.515 3.011 20 0 EGADMP CC[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001714637579 1419408987 /nfs/dbraw/zinc/40/89/87/1419408987.db2.gz LZWHWYAZOIKYKO-UYAOXDASSA-N 2 1 345.531 3.088 20 0 EGADMP CC(C)(C)CCC[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001714938136 1419685373 /nfs/dbraw/zinc/68/53/73/1419685373.db2.gz QPLHIYBAJMGEQG-GOSISDBHSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CCC[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001714938136 1419685376 /nfs/dbraw/zinc/68/53/76/1419685376.db2.gz QPLHIYBAJMGEQG-GOSISDBHSA-N 2 1 335.536 3.020 20 0 EGADMP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001715192241 1419923935 /nfs/dbraw/zinc/92/39/35/1419923935.db2.gz XZKOUUOCDUEDPP-GUDVDZBRSA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC2CC(C)C2)CC1 ZINC001715201738 1419934743 /nfs/dbraw/zinc/93/47/43/1419934743.db2.gz JSJLZSMXJGWSDF-UUKMXZOPSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C[NH2+]CC1CCCCC1 ZINC001715233107 1419964686 /nfs/dbraw/zinc/96/46/86/1419964686.db2.gz HXSNCMVRDWSELA-PXNSSMCTSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001715501225 1420184068 /nfs/dbraw/zinc/18/40/68/1420184068.db2.gz JMIHCFWNIOLEAC-QZTJIDSGSA-N 2 1 337.552 3.027 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@H]21 ZINC001715541632 1420239434 /nfs/dbraw/zinc/23/94/34/1420239434.db2.gz AZAKURBALPPRJU-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)CC[C@H]21 ZINC001715541632 1420239436 /nfs/dbraw/zinc/23/94/36/1420239436.db2.gz AZAKURBALPPRJU-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)CC[C@H]21 ZINC001715541632 1420239439 /nfs/dbraw/zinc/23/94/39/1420239439.db2.gz AZAKURBALPPRJU-UYAOXDASSA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@@H+](C)CCC(=O)NC1(C)CC[NH+](Cc2c(C)cccc2C)CC1 ZINC001716798310 1420931307 /nfs/dbraw/zinc/93/13/07/1420931307.db2.gz OPGPYMFDNOLPSP-UHFFFAOYSA-N 2 1 345.531 3.116 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1(C)CC[NH+](CCC2CCCC2)CC1 ZINC001716888958 1421012960 /nfs/dbraw/zinc/01/29/60/1421012960.db2.gz QHOMESCVGGMMTN-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](CC[NH2+][C@H](C)c2ccccc2C)C1 ZINC001717106483 1421112337 /nfs/dbraw/zinc/11/23/37/1421112337.db2.gz AROUOZASQGCMPS-RTBURBONSA-N 2 1 345.531 3.226 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C)cc2)[C@@H](C)C1 ZINC001717334912 1421271329 /nfs/dbraw/zinc/27/13/29/1421271329.db2.gz BINUVSXPGTVUCB-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)[C@@H](C)C1 ZINC001717334912 1421271330 /nfs/dbraw/zinc/27/13/30/1421271330.db2.gz BINUVSXPGTVUCB-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)[C@@H](C)C1 ZINC001717334912 1421271332 /nfs/dbraw/zinc/27/13/32/1421271332.db2.gz BINUVSXPGTVUCB-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)[C@H](C)C1 ZINC001717335020 1421271863 /nfs/dbraw/zinc/27/18/63/1421271863.db2.gz CMSAVNKPALKHRF-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)[C@H](C)C1 ZINC001717335020 1421271865 /nfs/dbraw/zinc/27/18/65/1421271865.db2.gz CMSAVNKPALKHRF-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)[C@H](C)C1 ZINC001717335020 1421271867 /nfs/dbraw/zinc/27/18/67/1421271867.db2.gz CMSAVNKPALKHRF-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC2CCCCCC2)[C@@H](C)C1 ZINC001717335022 1421272101 /nfs/dbraw/zinc/27/21/01/1421272101.db2.gz CMSAVNKPALKHRF-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)[C@@H](C)C1 ZINC001717335022 1421272103 /nfs/dbraw/zinc/27/21/03/1421272103.db2.gz CMSAVNKPALKHRF-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)[C@@H](C)C1 ZINC001717335022 1421272107 /nfs/dbraw/zinc/27/21/07/1421272107.db2.gz CMSAVNKPALKHRF-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)c1ccccc1C[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001717486264 1421422462 /nfs/dbraw/zinc/42/24/62/1421422462.db2.gz CKLVNFCVGDBBKN-QGZVFWFLSA-N 2 1 345.531 3.088 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)[C@H]1C ZINC001717803142 1421630844 /nfs/dbraw/zinc/63/08/44/1421630844.db2.gz STROVQDONJLVNW-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP C[N@@H+](CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1)C1CCC1 ZINC001717873549 1421681485 /nfs/dbraw/zinc/68/14/85/1421681485.db2.gz RXXAXDQQVUFDIR-RBUKOAKNSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001718032416 1421784819 /nfs/dbraw/zinc/78/48/19/1421784819.db2.gz OFBUHGNEGZUIKH-IEBWSBKVSA-N 2 1 337.552 3.003 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)C[C@H]1C ZINC001733336232 1429520800 /nfs/dbraw/zinc/52/08/00/1429520800.db2.gz RRFANMORXBIKAJ-VQIMIIECSA-N 2 1 349.494 3.027 20 0 EGADMP C[N@@H+](CC(=O)N[C@]1(C)CC[NH+](CC2CCCCC2)C1)CC(C)(C)C ZINC001733415155 1429618794 /nfs/dbraw/zinc/61/87/94/1429618794.db2.gz YUXUNQWXJVTBPR-HXUWFJFHSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)N[C@]1(C)CC[N@H+](CC2CCCCC2)C1)CC(C)(C)C ZINC001733415155 1429618795 /nfs/dbraw/zinc/61/87/95/1429618795.db2.gz YUXUNQWXJVTBPR-HXUWFJFHSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](CC(=O)N[C@]1(C)CC[N@@H+](CC2CCCCC2)C1)CC(C)(C)C ZINC001733415155 1429618796 /nfs/dbraw/zinc/61/87/96/1429618796.db2.gz YUXUNQWXJVTBPR-HXUWFJFHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001733444052 1429652934 /nfs/dbraw/zinc/65/29/34/1429652934.db2.gz VZJJSLIXRAPFGH-RXVVDRJESA-N 2 1 345.531 3.226 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCCC2)CC1 ZINC001723531579 1424454412 /nfs/dbraw/zinc/45/44/12/1424454412.db2.gz IHZKIVYSCWBUAO-LJQANCHMSA-N 2 1 349.563 3.316 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001724833108 1425178984 /nfs/dbraw/zinc/17/89/84/1425178984.db2.gz BASVHOXXXLRPQR-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC001725000906 1425409762 /nfs/dbraw/zinc/40/97/62/1425409762.db2.gz UZIUEFJBZSAECX-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC001725000906 1425409764 /nfs/dbraw/zinc/40/97/64/1425409764.db2.gz UZIUEFJBZSAECX-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC001725000906 1425409767 /nfs/dbraw/zinc/40/97/67/1425409767.db2.gz UZIUEFJBZSAECX-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCc1ccccc1C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001725003206 1425413949 /nfs/dbraw/zinc/41/39/49/1425413949.db2.gz OLOZLTQJONPWLJ-YLJYHZDGSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[N@@H+](C)CCC1CCCCCC1 ZINC001725175062 1425689580 /nfs/dbraw/zinc/68/95/80/1425689580.db2.gz UHMVWJUWGBVGQK-GOSISDBHSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2c(C)cccc2C)C[C@@H]1C ZINC001725581772 1426237589 /nfs/dbraw/zinc/23/75/89/1426237589.db2.gz BWAWVOMGNBQACX-RBUKOAKNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@@H]1C ZINC001725585273 1426240293 /nfs/dbraw/zinc/24/02/93/1426240293.db2.gz GZXXDKBHUFYYAV-ICSRJNTNSA-N 2 1 345.531 3.114 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](Cc2ccc(C)cc2)C1 ZINC001731560325 1427595417 /nfs/dbraw/zinc/59/54/17/1427595417.db2.gz VOZCQXGCYMDYGS-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC001731560325 1427595420 /nfs/dbraw/zinc/59/54/20/1427595420.db2.gz VOZCQXGCYMDYGS-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001731560325 1427595426 /nfs/dbraw/zinc/59/54/26/1427595426.db2.gz VOZCQXGCYMDYGS-AZUAARDMSA-N 2 1 345.531 3.054 20 0 EGADMP CCC(CC)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001731710790 1427766520 /nfs/dbraw/zinc/76/65/20/1427766520.db2.gz BNAOBPKWXJIPQH-SFHVURJKSA-N 2 1 348.535 3.366 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001731710790 1427766526 /nfs/dbraw/zinc/76/65/26/1427766526.db2.gz BNAOBPKWXJIPQH-SFHVURJKSA-N 2 1 348.535 3.366 20 0 EGADMP CCC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@H](C)c1ccccc1C ZINC001731867830 1428117361 /nfs/dbraw/zinc/11/73/61/1428117361.db2.gz XPKQCBFQXXNDGE-GOSISDBHSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCC(C)(C)C)[C@@H](C)C1 ZINC001733901017 1437719082 /nfs/dbraw/zinc/71/90/82/1437719082.db2.gz MJMUFUVGESPTDL-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)[C@@H](C)C1 ZINC001733901017 1437719084 /nfs/dbraw/zinc/71/90/84/1437719084.db2.gz MJMUFUVGESPTDL-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCCC(C)(C)C)[C@@H](C)C1 ZINC001733901017 1437719086 /nfs/dbraw/zinc/71/90/86/1437719086.db2.gz MJMUFUVGESPTDL-DLBZAZTESA-N 2 1 325.541 3.124 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCC2CC2)CCCCC1 ZINC001733933454 1437747122 /nfs/dbraw/zinc/74/71/22/1437747122.db2.gz HKDYHMNNROPJIF-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)[C@@H](C)c1ccc(F)cc1 ZINC001733936170 1437750411 /nfs/dbraw/zinc/75/04/11/1437750411.db2.gz APIKTNVEFLZEMO-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001733936170 1437750413 /nfs/dbraw/zinc/75/04/13/1437750413.db2.gz APIKTNVEFLZEMO-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001733936170 1437750414 /nfs/dbraw/zinc/75/04/14/1437750414.db2.gz APIKTNVEFLZEMO-QFBILLFUSA-N 2 1 349.494 3.151 20 0 EGADMP Cc1ccccc1C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001734425081 1438091302 /nfs/dbraw/zinc/09/13/02/1438091302.db2.gz PXKSRDRVDKGUKA-HKUYNNGSSA-N 2 1 345.531 3.052 20 0 EGADMP C[C@H](C(=O)NCCC[N@@H+](C)Cc1cccc(F)c1)[NH+]1CCCCCC1 ZINC001752072599 1440137966 /nfs/dbraw/zinc/13/79/66/1440137966.db2.gz GBSQYWUCSDUPLV-QGZVFWFLSA-N 2 1 349.494 3.028 20 0 EGADMP CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001752427747 1440177461 /nfs/dbraw/zinc/17/74/61/1440177461.db2.gz QXNRYXYGKOWXEN-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]([NH2+]CCCC2CCCC2)C2CC2)CC[N@H+]1C ZINC001752479266 1440185127 /nfs/dbraw/zinc/18/51/27/1440185127.db2.gz DKWUKOQXFOVJSN-FFZOFVMBSA-N 2 1 349.563 3.172 20 0 EGADMP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@@H+](CCCC3CCCC3)C2)CCC1 ZINC001752783580 1440210217 /nfs/dbraw/zinc/21/02/17/1440210217.db2.gz KPKNHMCHYYCNAA-LJQANCHMSA-N 2 1 349.563 3.269 20 0 EGADMP CCCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001752785599 1440211266 /nfs/dbraw/zinc/21/12/66/1440211266.db2.gz CCWWRMRJMVXNCU-RTBURBONSA-N 2 1 337.552 3.127 20 0 EGADMP CCCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001752785599 1440211267 /nfs/dbraw/zinc/21/12/67/1440211267.db2.gz CCWWRMRJMVXNCU-RTBURBONSA-N 2 1 337.552 3.127 20 0 EGADMP CCCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001752785599 1440211268 /nfs/dbraw/zinc/21/12/68/1440211268.db2.gz CCWWRMRJMVXNCU-RTBURBONSA-N 2 1 337.552 3.127 20 0 EGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001752800042 1440214924 /nfs/dbraw/zinc/21/49/24/1440214924.db2.gz SWZKFCXFSLLDAC-MISYRCLQSA-N 2 1 347.547 3.045 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001752820213 1440219957 /nfs/dbraw/zinc/21/99/57/1440219957.db2.gz CQWYWEJGVKUSBU-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001752820213 1440219958 /nfs/dbraw/zinc/21/99/58/1440219958.db2.gz CQWYWEJGVKUSBU-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCCC[N@H+]1CC1CC(C)(C)C1 ZINC001752820213 1440219959 /nfs/dbraw/zinc/21/99/59/1440219959.db2.gz CQWYWEJGVKUSBU-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001752820450 1440220213 /nfs/dbraw/zinc/22/02/13/1440220213.db2.gz MSKVGSUMZGSYTE-GFQMDTTRSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001752820450 1440220214 /nfs/dbraw/zinc/22/02/14/1440220214.db2.gz MSKVGSUMZGSYTE-GFQMDTTRSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C/CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001752820450 1440220215 /nfs/dbraw/zinc/22/02/15/1440220215.db2.gz MSKVGSUMZGSYTE-GFQMDTTRSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001752825194 1440223327 /nfs/dbraw/zinc/22/33/27/1440223327.db2.gz NEIWRPMDAGKNGR-WOJBJXKFSA-N 2 1 343.515 3.226 20 0 EGADMP CC(C)=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001752825194 1440223328 /nfs/dbraw/zinc/22/33/28/1440223328.db2.gz NEIWRPMDAGKNGR-WOJBJXKFSA-N 2 1 343.515 3.226 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[NH+](Cc2cccc(C)c2)C1 ZINC001752842354 1440231146 /nfs/dbraw/zinc/23/11/46/1440231146.db2.gz YSUGAXDZTWDUHJ-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC001752842354 1440231147 /nfs/dbraw/zinc/23/11/47/1440231147.db2.gz YSUGAXDZTWDUHJ-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC001752842354 1440231148 /nfs/dbraw/zinc/23/11/48/1440231148.db2.gz YSUGAXDZTWDUHJ-UYAOXDASSA-N 2 1 345.531 3.054 20 0 EGADMP CC/C=C\CC[NH2+]C1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001752852851 1440233984 /nfs/dbraw/zinc/23/39/84/1440233984.db2.gz SFQUPICRNLVUAI-FPLPWBNLSA-N 2 1 337.552 3.338 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2ccccc2CC)C1 ZINC001752996736 1440262376 /nfs/dbraw/zinc/26/23/76/1440262376.db2.gz HRGMWKDFGRUDBL-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2CC)C1 ZINC001752996736 1440262377 /nfs/dbraw/zinc/26/23/77/1440262377.db2.gz HRGMWKDFGRUDBL-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2CC)C1 ZINC001752996736 1440262378 /nfs/dbraw/zinc/26/23/78/1440262378.db2.gz HRGMWKDFGRUDBL-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001753020132 1440269537 /nfs/dbraw/zinc/26/95/37/1440269537.db2.gz CWVSJAFBLOKWLY-QGZVFWFLSA-N 2 1 347.547 3.309 20 0 EGADMP C[NH+](C)C1(C(=O)NCCC[C@H]2CCC[N@H+]2CC2CCCCC2)CCC1 ZINC001753027903 1440271983 /nfs/dbraw/zinc/27/19/83/1440271983.db2.gz UKJJZFNQRQJZKA-IBGZPJMESA-N 2 1 349.563 3.412 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001753059293 1440282699 /nfs/dbraw/zinc/28/26/99/1440282699.db2.gz CKOTXZHKJITAPS-GOSISDBHSA-N 2 1 345.531 3.287 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001753075510 1440290961 /nfs/dbraw/zinc/29/09/61/1440290961.db2.gz AGIGXSRENLZUOS-LJQANCHMSA-N 2 1 345.531 3.370 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)CCC1=CCCCC1 ZINC001753082240 1440294572 /nfs/dbraw/zinc/29/45/72/1440294572.db2.gz HDODCWFLIVNWTG-LJQANCHMSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)CCC1=CCCCC1 ZINC001753082240 1440294573 /nfs/dbraw/zinc/29/45/73/1440294573.db2.gz HDODCWFLIVNWTG-LJQANCHMSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)CCC1=CCCCC1 ZINC001753082240 1440294574 /nfs/dbraw/zinc/29/45/74/1440294574.db2.gz HDODCWFLIVNWTG-LJQANCHMSA-N 2 1 335.536 3.188 20 0 EGADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCC2)CCCCC1 ZINC001753108241 1440307238 /nfs/dbraw/zinc/30/72/38/1440307238.db2.gz KZEXFIDKTAEFOR-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001753155149 1440330391 /nfs/dbraw/zinc/33/03/91/1440330391.db2.gz CKTMDCHOYKJFLP-YLJYHZDGSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001753155149 1440330392 /nfs/dbraw/zinc/33/03/92/1440330392.db2.gz CKTMDCHOYKJFLP-YLJYHZDGSA-N 2 1 343.515 3.121 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001753155149 1440330393 /nfs/dbraw/zinc/33/03/93/1440330393.db2.gz CKTMDCHOYKJFLP-YLJYHZDGSA-N 2 1 343.515 3.121 20 0 EGADMP CC(C)(C)CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001753160815 1440333770 /nfs/dbraw/zinc/33/37/70/1440333770.db2.gz BWKZEOONNJXJPV-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1CC1 ZINC001753160815 1440333771 /nfs/dbraw/zinc/33/37/71/1440333771.db2.gz BWKZEOONNJXJPV-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)(C)CC[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1CC1 ZINC001753160815 1440333772 /nfs/dbraw/zinc/33/37/72/1440333772.db2.gz BWKZEOONNJXJPV-ROUUACIJSA-N 2 1 335.536 3.020 20 0 EGADMP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001753240473 1440342072 /nfs/dbraw/zinc/34/20/72/1440342072.db2.gz UITLQQSCIBITAS-MOPGFXCFSA-N 2 1 335.536 3.022 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC/C=C/c1ccccc1 ZINC001753265322 1440344771 /nfs/dbraw/zinc/34/47/71/1440344771.db2.gz BAZODRFZXFFRGC-LOULHMMLSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC1=CCCCC1 ZINC001753286543 1440348913 /nfs/dbraw/zinc/34/89/13/1440348913.db2.gz DMNRDIPFGYPMHW-HXUWFJFHSA-N 2 1 347.547 3.045 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001753309625 1440356214 /nfs/dbraw/zinc/35/62/14/1440356214.db2.gz SLYFSPIOOYAPKW-HDICACEKSA-N 2 1 346.519 3.083 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001753309625 1440356215 /nfs/dbraw/zinc/35/62/15/1440356215.db2.gz SLYFSPIOOYAPKW-HDICACEKSA-N 2 1 346.519 3.083 20 0 EGADMP CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](CCC)C1 ZINC001753319604 1440362245 /nfs/dbraw/zinc/36/22/45/1440362245.db2.gz IUURYKDFMWVRRQ-IBGZPJMESA-N 2 1 331.504 3.085 20 0 EGADMP C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001753360013 1440382309 /nfs/dbraw/zinc/38/23/09/1440382309.db2.gz OENFLHPWZDFLIC-SFHVURJKSA-N 2 1 349.563 3.079 20 0 EGADMP CC[C@@H](C(=O)NC1C[NH+](Cc2ccccc2C(C)C)C1)[NH+](CC)CC ZINC001753387138 1440388481 /nfs/dbraw/zinc/38/84/81/1440388481.db2.gz QHDGZWCENWENNS-FQEVSTJZSA-N 2 1 345.531 3.231 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001753448787 1440404936 /nfs/dbraw/zinc/40/49/36/1440404936.db2.gz BCNCCSJCBGTMOF-HXUWFJFHSA-N 2 1 345.531 3.331 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H](N(CC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001753460227 1440410279 /nfs/dbraw/zinc/41/02/79/1440410279.db2.gz ZKNRQLJEUGAFBD-LJQANCHMSA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001753460386 1440410295 /nfs/dbraw/zinc/41/02/95/1440410295.db2.gz XCFKWIVRYVFBHG-MOPGFXCFSA-N 2 1 331.504 3.012 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001753460389 1440410302 /nfs/dbraw/zinc/41/03/02/1440410302.db2.gz XCFKWIVRYVFBHG-RTBURBONSA-N 2 1 331.504 3.012 20 0 EGADMP CC(C)[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCC[C@@H]1C ZINC001753536371 1440432692 /nfs/dbraw/zinc/43/26/92/1440432692.db2.gz SUGGAQLHHBTZTK-LPHOPBHVSA-N 2 1 334.508 3.070 20 0 EGADMP CC(C)[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCC[C@H]1C ZINC001753536370 1440432800 /nfs/dbraw/zinc/43/28/00/1440432800.db2.gz SUGGAQLHHBTZTK-APWZRJJASA-N 2 1 334.508 3.070 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](C[C@@H](C)CC)CC1 ZINC001753594493 1440444030 /nfs/dbraw/zinc/44/40/30/1440444030.db2.gz DIOGPXJITZUTRJ-PKOBYXMFSA-N 2 1 337.552 3.125 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC2(CC[NH+](CC3CC3)C2)CC1 ZINC001753603403 1440447115 /nfs/dbraw/zinc/44/71/15/1440447115.db2.gz YDECEPGKLRXNAG-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC2(CC[N@H+](CC3CC3)C2)CC1 ZINC001753603403 1440447116 /nfs/dbraw/zinc/44/71/16/1440447116.db2.gz YDECEPGKLRXNAG-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1CCC2(CC[N@@H+](CC3CC3)C2)CC1 ZINC001753603403 1440447117 /nfs/dbraw/zinc/44/71/17/1440447117.db2.gz YDECEPGKLRXNAG-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP C[C@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C[NH2+]CC1CC(C)C1 ZINC001753623231 1440450836 /nfs/dbraw/zinc/45/08/36/1440450836.db2.gz XXZUDDUUEHFLCK-CGZBRXJRSA-N 2 1 337.552 3.027 20 0 EGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCCC1 ZINC001753632402 1440452422 /nfs/dbraw/zinc/45/24/22/1440452422.db2.gz NIBOVWRQENCZPS-MJGOQNOKSA-N 2 1 337.552 3.172 20 0 EGADMP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001753669951 1440461590 /nfs/dbraw/zinc/46/15/90/1440461590.db2.gz MFHXLWGYZPNXER-QVOQXLMASA-N 2 1 347.547 3.378 20 0 EGADMP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC001753670886 1440462026 /nfs/dbraw/zinc/46/20/26/1440462026.db2.gz LZBGBHXWZWMKNZ-WMZOPIPTSA-N 2 1 349.494 3.056 20 0 EGADMP CC(C)[N@H+](C)CCC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001753823475 1440497194 /nfs/dbraw/zinc/49/71/94/1440497194.db2.gz JUQFRQYWJCAOOI-UHFFFAOYSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)[N@@H+](C)CCC1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001753823475 1440497195 /nfs/dbraw/zinc/49/71/95/1440497195.db2.gz JUQFRQYWJCAOOI-UHFFFAOYSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)[NH+](C)CCC1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001753823475 1440497196 /nfs/dbraw/zinc/49/71/96/1440497196.db2.gz JUQFRQYWJCAOOI-UHFFFAOYSA-N 2 1 345.531 3.087 20 0 EGADMP CC(C)[NH+](C)CCC1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001753823475 1440497197 /nfs/dbraw/zinc/49/71/97/1440497197.db2.gz JUQFRQYWJCAOOI-UHFFFAOYSA-N 2 1 345.531 3.087 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001753971154 1440527106 /nfs/dbraw/zinc/52/71/06/1440527106.db2.gz SLPYZUJIJGTPJF-QZTJIDSGSA-N 2 1 345.531 3.333 20 0 EGADMP CCN(CC[NH2+][C@H](C)c1ccccc1Cl)C(=O)Cn1cc[nH+]c1C ZINC001754081735 1440539535 /nfs/dbraw/zinc/53/95/35/1440539535.db2.gz KIIONHTVYGMFBO-CQSZACIVSA-N 2 1 348.878 3.044 20 0 EGADMP O=C(NC/C=C\C[NH2+]CCC1CCCCC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001754180360 1440548086 /nfs/dbraw/zinc/54/80/86/1440548086.db2.gz AGZJTMMYKYCOKR-PSCPARJHSA-N 2 1 347.547 3.236 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001754374281 1440592878 /nfs/dbraw/zinc/59/28/78/1440592878.db2.gz YXZMFKXEOIDOAP-ICSRJNTNSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@H](C)c1cc(C)ccc1C ZINC001754499771 1440613740 /nfs/dbraw/zinc/61/37/40/1440613740.db2.gz DPUUIGJMBQGSED-MOPGFXCFSA-N 2 1 345.531 3.287 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)c1cc(C)ccc1C ZINC001754499771 1440613741 /nfs/dbraw/zinc/61/37/41/1440613741.db2.gz DPUUIGJMBQGSED-MOPGFXCFSA-N 2 1 345.531 3.287 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)c1cc(C)ccc1C ZINC001754499771 1440613742 /nfs/dbraw/zinc/61/37/42/1440613742.db2.gz DPUUIGJMBQGSED-MOPGFXCFSA-N 2 1 345.531 3.287 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001754505515 1440616255 /nfs/dbraw/zinc/61/62/55/1440616255.db2.gz VGNIGGNDUWNQIM-FQEVSTJZSA-N 2 1 349.563 3.413 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001754506163 1440616543 /nfs/dbraw/zinc/61/65/43/1440616543.db2.gz XOZMJPRJFKZXJV-OALUTQOASA-N 2 1 343.515 3.123 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC=C(C)C)C2)[NH+](CC)CC ZINC001754557216 1440632194 /nfs/dbraw/zinc/63/21/94/1440632194.db2.gz NIQILPUOHSVGDW-CTNGQTDRSA-N 2 1 349.563 3.388 20 0 EGADMP CCCC[NH+]1CCC(C)(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001754626732 1440646588 /nfs/dbraw/zinc/64/65/88/1440646588.db2.gz NSYARCKNOBHGCR-INIZCTEOSA-N 2 1 334.508 3.167 20 0 EGADMP CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001754649309 1440651422 /nfs/dbraw/zinc/65/14/22/1440651422.db2.gz IQZIVOUUCLEGTR-WOJBJXKFSA-N 2 1 349.563 3.458 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC2=CCCCC2)C2CCCC2)CC[N@H+]1C ZINC001754651628 1440652043 /nfs/dbraw/zinc/65/20/43/1440652043.db2.gz XPRSHFCAFISRJW-NSISKUIASA-N 2 1 347.547 3.092 20 0 EGADMP CCCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)CC)C2 ZINC001754662133 1440655271 /nfs/dbraw/zinc/65/52/71/1440655271.db2.gz RJXMOFVWNNDSCG-FQEVSTJZSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001754662133 1440655272 /nfs/dbraw/zinc/65/52/72/1440655272.db2.gz RJXMOFVWNNDSCG-FQEVSTJZSA-N 2 1 337.552 3.223 20 0 EGADMP CCCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001754662133 1440655273 /nfs/dbraw/zinc/65/52/73/1440655273.db2.gz RJXMOFVWNNDSCG-FQEVSTJZSA-N 2 1 337.552 3.223 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@]2(CC[NH+](CC3CCCC3)C2)C1 ZINC001754662302 1440655447 /nfs/dbraw/zinc/65/54/47/1440655447.db2.gz VNXWPQHRKDBJSH-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001754662302 1440655448 /nfs/dbraw/zinc/65/54/48/1440655448.db2.gz VNXWPQHRKDBJSH-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001754662302 1440655449 /nfs/dbraw/zinc/65/54/49/1440655449.db2.gz VNXWPQHRKDBJSH-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@]1(C)CC[N@H+](CCCC2CCC2)C1 ZINC001754680566 1440662239 /nfs/dbraw/zinc/66/22/39/1440662239.db2.gz PFDPWQFFTZBLLO-HXUWFJFHSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@]1(C)CC[N@@H+](CCCC2CCC2)C1 ZINC001754680566 1440662240 /nfs/dbraw/zinc/66/22/40/1440662240.db2.gz PFDPWQFFTZBLLO-HXUWFJFHSA-N 2 1 346.519 3.167 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001754697627 1440667346 /nfs/dbraw/zinc/66/73/46/1440667346.db2.gz RAFOGBVUIXVFEO-CTNGQTDRSA-N 2 1 347.547 3.189 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@]1(C)CCC[NH+](CCC2=CCCCC2)C1 ZINC001754734677 1440681782 /nfs/dbraw/zinc/68/17/82/1440681782.db2.gz WQPGISPAIYPWEI-NRFANRHFSA-N 2 1 349.563 3.437 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]1(C)CCC[N@H+](CCC2=CCCCC2)C1 ZINC001754734677 1440681783 /nfs/dbraw/zinc/68/17/83/1440681783.db2.gz WQPGISPAIYPWEI-NRFANRHFSA-N 2 1 349.563 3.437 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@]1(C)CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001754734677 1440681784 /nfs/dbraw/zinc/68/17/84/1440681784.db2.gz WQPGISPAIYPWEI-NRFANRHFSA-N 2 1 349.563 3.437 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CCC1=CCCCC1)C2 ZINC001754782689 1440686683 /nfs/dbraw/zinc/68/66/83/1440686683.db2.gz GSTFIGRULYBRTG-ZCNNSNEGSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1=CCCCC1)C2 ZINC001754782689 1440686684 /nfs/dbraw/zinc/68/66/84/1440686684.db2.gz GSTFIGRULYBRTG-ZCNNSNEGSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1=CCCCC1)C2 ZINC001754782689 1440686685 /nfs/dbraw/zinc/68/66/85/1440686685.db2.gz GSTFIGRULYBRTG-ZCNNSNEGSA-N 2 1 347.547 3.188 20 0 EGADMP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001754870988 1440705026 /nfs/dbraw/zinc/70/50/26/1440705026.db2.gz FQVRPNXBRCIHJE-CQQBRXBZSA-N 2 1 344.503 3.003 20 0 EGADMP CCC/C=C\CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001754870988 1440705027 /nfs/dbraw/zinc/70/50/27/1440705027.db2.gz FQVRPNXBRCIHJE-CQQBRXBZSA-N 2 1 344.503 3.003 20 0 EGADMP CCC(CC)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001754945608 1440712664 /nfs/dbraw/zinc/71/26/64/1440712664.db2.gz CDYCVTZNGJYXFO-FQEVSTJZSA-N 2 1 345.531 3.265 20 0 EGADMP CCC(CC)C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001754945608 1440712665 /nfs/dbraw/zinc/71/26/65/1440712665.db2.gz CDYCVTZNGJYXFO-FQEVSTJZSA-N 2 1 345.531 3.265 20 0 EGADMP CCC(CC)C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001754945608 1440712666 /nfs/dbraw/zinc/71/26/66/1440712666.db2.gz CDYCVTZNGJYXFO-FQEVSTJZSA-N 2 1 345.531 3.265 20 0 EGADMP CC(C)C[NH2+][C@H](C)c1ccc(CNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001754947689 1440713828 /nfs/dbraw/zinc/71/38/28/1440713828.db2.gz QZCRXSWDLDSTSE-MRXNPFEDSA-N 2 1 331.504 3.094 20 0 EGADMP CCCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001754948488 1440714108 /nfs/dbraw/zinc/71/41/08/1440714108.db2.gz ZKRWOUUGVYLLLS-FRQCXROJSA-N 2 1 331.504 3.094 20 0 EGADMP CC/C=C/CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001754952314 1440715169 /nfs/dbraw/zinc/71/51/69/1440715169.db2.gz YLWQRMDCRBJPKL-GUKTUGNZSA-N 2 1 349.563 3.480 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001754980481 1440721185 /nfs/dbraw/zinc/72/11/85/1440721185.db2.gz DWKMERYDXUIEOO-QZTJIDSGSA-N 2 1 337.552 3.170 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001755034436 1440733578 /nfs/dbraw/zinc/73/35/78/1440733578.db2.gz RAKWKKLTVWCDDJ-RBUKOAKNSA-N 2 1 345.531 3.367 20 0 EGADMP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001755034436 1440733579 /nfs/dbraw/zinc/73/35/79/1440733579.db2.gz RAKWKKLTVWCDDJ-RBUKOAKNSA-N 2 1 345.531 3.367 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001755034436 1440733580 /nfs/dbraw/zinc/73/35/80/1440733580.db2.gz RAKWKKLTVWCDDJ-RBUKOAKNSA-N 2 1 345.531 3.367 20 0 EGADMP CN(CCC[N@@H+](C)CCC1CCCCC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001755044163 1440739463 /nfs/dbraw/zinc/73/94/63/1440739463.db2.gz OCNCYVVEZWMNFN-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CN(CCC[NH+](C)CCC1CCCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001755044163 1440739464 /nfs/dbraw/zinc/73/94/64/1440739464.db2.gz OCNCYVVEZWMNFN-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CN(CCC[NH+](C)CCC1CCCCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001755044163 1440739465 /nfs/dbraw/zinc/73/94/65/1440739465.db2.gz OCNCYVVEZWMNFN-LJQANCHMSA-N 2 1 337.552 3.079 20 0 EGADMP CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001755073654 1440747615 /nfs/dbraw/zinc/74/76/15/1440747615.db2.gz BVZSJDAEGVVORI-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC(CC)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001755128125 1440756614 /nfs/dbraw/zinc/75/66/14/1440756614.db2.gz SVMXOKBGZXAVKG-GOSISDBHSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(C)([NH2+]CCCC2CCCC2)CC1 ZINC001755134183 1440757748 /nfs/dbraw/zinc/75/77/48/1440757748.db2.gz QIQNGZNYANUTOM-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CCC([NH2+]CC2CCC2)CC1 ZINC001755276106 1440799135 /nfs/dbraw/zinc/79/91/35/1440799135.db2.gz SOULBURLKKWVJR-UHFFFAOYSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CCCC(C)(C)C ZINC001755302114 1440809118 /nfs/dbraw/zinc/80/91/18/1440809118.db2.gz ZHPSHCGNTOITII-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CCCC(C)(C)C ZINC001755302114 1440809119 /nfs/dbraw/zinc/80/91/19/1440809119.db2.gz ZHPSHCGNTOITII-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCCC(C)(C)C ZINC001755302114 1440809120 /nfs/dbraw/zinc/80/91/20/1440809120.db2.gz ZHPSHCGNTOITII-IAGOWNOFSA-N 2 1 325.541 3.124 20 0 EGADMP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH2+]CC1CC1 ZINC001755339441 1440824735 /nfs/dbraw/zinc/82/47/35/1440824735.db2.gz JQPLRWXCMNVUCL-PMACEKPBSA-N 2 1 349.563 3.266 20 0 EGADMP CCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001755363373 1440833166 /nfs/dbraw/zinc/83/31/66/1440833166.db2.gz IILVHVPECRVHNR-RTBURBONSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001755363373 1440833167 /nfs/dbraw/zinc/83/31/67/1440833167.db2.gz IILVHVPECRVHNR-RTBURBONSA-N 2 1 337.552 3.412 20 0 EGADMP CCCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001755363373 1440833168 /nfs/dbraw/zinc/83/31/68/1440833168.db2.gz IILVHVPECRVHNR-RTBURBONSA-N 2 1 337.552 3.412 20 0 EGADMP C[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@H+]1C/C=C\c1ccccc1 ZINC001755367882 1440835546 /nfs/dbraw/zinc/83/55/46/1440835546.db2.gz JZXBFVNRGVCKPO-FNUUXAGOSA-N 2 1 343.515 3.012 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001755416449 1440849048 /nfs/dbraw/zinc/84/90/48/1440849048.db2.gz UGBNLOTVSDOIPB-IDPBEMBBSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC001755416449 1440849049 /nfs/dbraw/zinc/84/90/49/1440849049.db2.gz UGBNLOTVSDOIPB-IDPBEMBBSA-N 2 1 349.563 3.434 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC001755416449 1440849050 /nfs/dbraw/zinc/84/90/50/1440849050.db2.gz UGBNLOTVSDOIPB-IDPBEMBBSA-N 2 1 349.563 3.434 20 0 EGADMP C[N@@H+](CCCC1CCC1)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001755530645 1440867035 /nfs/dbraw/zinc/86/70/35/1440867035.db2.gz KNVLUJXBCVXCJE-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCC1)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001755530645 1440867036 /nfs/dbraw/zinc/86/70/36/1440867036.db2.gz KNVLUJXBCVXCJE-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](CCCC1CCC1)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001755530645 1440867037 /nfs/dbraw/zinc/86/70/37/1440867037.db2.gz KNVLUJXBCVXCJE-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001755534311 1440868652 /nfs/dbraw/zinc/86/86/52/1440868652.db2.gz JGDNGLABQBDYSM-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001755534311 1440868653 /nfs/dbraw/zinc/86/86/53/1440868653.db2.gz JGDNGLABQBDYSM-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001755534311 1440868654 /nfs/dbraw/zinc/86/86/54/1440868654.db2.gz JGDNGLABQBDYSM-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C[C@H]1C ZINC001755690405 1440896674 /nfs/dbraw/zinc/89/66/74/1440896674.db2.gz OBMSEPRKRGXUDQ-MOPGFXCFSA-N 2 1 345.531 3.033 20 0 EGADMP CCc1ccccc1C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001755722764 1440908222 /nfs/dbraw/zinc/90/82/22/1440908222.db2.gz SYOZJAUVZCMMDF-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001755722764 1440908223 /nfs/dbraw/zinc/90/82/23/1440908223.db2.gz SYOZJAUVZCMMDF-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP CCc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001755722764 1440908224 /nfs/dbraw/zinc/90/82/24/1440908224.db2.gz SYOZJAUVZCMMDF-PXNSSMCTSA-N 2 1 345.531 3.060 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@H+]1CC1CCCCCC1 ZINC001755722833 1440908245 /nfs/dbraw/zinc/90/82/45/1440908245.db2.gz OTILJTRUZMDWMX-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001755722978 1440908267 /nfs/dbraw/zinc/90/82/67/1440908267.db2.gz UGTZMFWXVOZYTO-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001755723484 1440908535 /nfs/dbraw/zinc/90/85/35/1440908535.db2.gz PWWOVJFJYGQJQI-QUCCMNQESA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001755723484 1440908536 /nfs/dbraw/zinc/90/85/36/1440908536.db2.gz PWWOVJFJYGQJQI-QUCCMNQESA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001755723484 1440908537 /nfs/dbraw/zinc/90/85/37/1440908537.db2.gz PWWOVJFJYGQJQI-QUCCMNQESA-N 2 1 345.531 3.134 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001755723484 1440908538 /nfs/dbraw/zinc/90/85/38/1440908538.db2.gz PWWOVJFJYGQJQI-QUCCMNQESA-N 2 1 345.531 3.134 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1(C2CC[NH+](CC3CC(C)C3)CC2)CC1 ZINC001755869397 1440938655 /nfs/dbraw/zinc/93/86/55/1440938655.db2.gz FGCDDOWXRJJCQP-UHFFFAOYSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(C[NH3+])CC2)nc1 ZINC001164389802 718813339 /nfs/dbraw/zinc/81/33/39/718813339.db2.gz ZFDFGHVALNKDIK-QGZVFWFLSA-N 2 1 334.483 3.286 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cccc(-c2nn[nH]n2)c1 ZINC000824584774 946832552 /nfs/dbraw/zinc/83/25/52/946832552.db2.gz HAPFTPWIMHLASH-HZPDHXFCSA-N 2 1 342.491 3.172 20 0 EGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000368952679 168384896 /nfs/dbraw/zinc/38/48/96/168384896.db2.gz WMGIULMVBZAWRM-FQEVSTJZSA-N 2 1 344.499 3.305 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccncc3)CC2)oc1C ZINC000174080908 231115556 /nfs/dbraw/zinc/11/55/56/231115556.db2.gz CXZDFQQJTRXRLC-OAHLLOKOSA-N 2 1 328.460 3.249 20 0 EGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCSc1ccc(Cl)cc1 ZINC000174724682 529887631 /nfs/dbraw/zinc/88/76/31/529887631.db2.gz AVAXGTQSFPRQBV-UHFFFAOYSA-N 2 1 341.952 3.001 20 0 EGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187967911 530053791 /nfs/dbraw/zinc/05/37/91/530053791.db2.gz TWCIINJSQODBBT-RTWAWAEBSA-N 2 1 329.532 3.114 20 0 EGADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(F)c(Br)c2)CC[N@H+]1C ZINC000178008985 232056921 /nfs/dbraw/zinc/05/69/21/232056921.db2.gz YSAXEVFKVQBRSQ-AAEUAGOBSA-N 2 1 329.257 3.203 20 0 EGADMP COCc1cc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1OC ZINC000178256411 232119339 /nfs/dbraw/zinc/11/93/39/232119339.db2.gz HATLOIGGOGXJQM-HNNXBMFYSA-N 2 1 332.488 3.367 20 0 EGADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)cc1F ZINC000128442225 222949789 /nfs/dbraw/zinc/94/97/89/222949789.db2.gz XSKXXFDVXCLZCC-SFHVURJKSA-N 2 1 325.447 3.033 20 0 EGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000129315168 223043353 /nfs/dbraw/zinc/04/33/53/223043353.db2.gz JXCTWWTVZWXLRE-NFAWXSAZSA-N 2 1 330.394 3.446 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000129315168 223043355 /nfs/dbraw/zinc/04/33/55/223043355.db2.gz JXCTWWTVZWXLRE-NFAWXSAZSA-N 2 1 330.394 3.446 20 0 EGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c(F)c1 ZINC000129576610 223071005 /nfs/dbraw/zinc/07/10/05/223071005.db2.gz XXDCVTGZEYEOJW-RLFYNMQTSA-N 2 1 344.434 3.241 20 0 EGADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c(F)c1 ZINC000129576388 223070416 /nfs/dbraw/zinc/07/04/16/223070416.db2.gz XXDCVTGZEYEOJW-HDMKZQKVSA-N 2 1 344.434 3.241 20 0 EGADMP C[NH+](C)CCCC1CC[NH+](Cc2nccn2-c2ccccc2)CC1 ZINC000191406342 239094647 /nfs/dbraw/zinc/09/46/47/239094647.db2.gz CYSYMTNSGBGBJC-UHFFFAOYSA-N 2 1 326.488 3.426 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236654550 242307943 /nfs/dbraw/zinc/30/79/43/242307943.db2.gz QJLYLXHTSDIOSZ-XGSMCBPESA-N 2 1 343.515 3.064 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000236830343 242374730 /nfs/dbraw/zinc/37/47/30/242374730.db2.gz ZRWDAPBWBVPEAA-HOTGVXAUSA-N 2 1 326.444 3.121 20 0 EGADMP CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[NH+](CC)CC ZINC000078822466 217129315 /nfs/dbraw/zinc/12/93/15/217129315.db2.gz BNWWQTLCVNCDQC-UXHICEINSA-N 2 1 345.531 3.278 20 0 EGADMP c1ccc(OCc2cccnc2)c(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000078876926 217136635 /nfs/dbraw/zinc/13/66/35/217136635.db2.gz UXEATAIFMQKARA-UHFFFAOYSA-N 2 1 325.456 3.236 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)[C@H](C)C1 ZINC000265209585 247301222 /nfs/dbraw/zinc/30/12/22/247301222.db2.gz UEOVNYNOCQHVPL-VQIMIIECSA-N 2 1 329.488 3.395 20 0 EGADMP C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266527957 248346026 /nfs/dbraw/zinc/34/60/26/248346026.db2.gz FABYKLONFANGGE-RXVVDRJESA-N 2 1 342.458 3.313 20 0 EGADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266527957 248346029 /nfs/dbraw/zinc/34/60/29/248346029.db2.gz FABYKLONFANGGE-RXVVDRJESA-N 2 1 342.458 3.313 20 0 EGADMP C[NH+](C[C@H](O)c1ccc(F)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266527957 248346032 /nfs/dbraw/zinc/34/60/32/248346032.db2.gz FABYKLONFANGGE-RXVVDRJESA-N 2 1 342.458 3.313 20 0 EGADMP C[NH+](C[C@H](O)c1ccc(F)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266527957 248346036 /nfs/dbraw/zinc/34/60/36/248346036.db2.gz FABYKLONFANGGE-RXVVDRJESA-N 2 1 342.458 3.313 20 0 EGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccccc3F)CC2)CC1 ZINC000377268011 169004920 /nfs/dbraw/zinc/00/49/20/169004920.db2.gz RUAIQZPYZAXOLD-UHFFFAOYSA-N 2 1 347.522 3.454 20 0 EGADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000377413694 169022642 /nfs/dbraw/zinc/02/26/42/169022642.db2.gz STNSDJPYWMQGAW-UHFFFAOYSA-N 2 1 338.451 3.227 20 0 EGADMP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(OC)c1 ZINC000092066540 218114924 /nfs/dbraw/zinc/11/49/24/218114924.db2.gz JWGBVIUTQRISDR-UZLBHIALSA-N 2 1 330.472 3.153 20 0 EGADMP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(OC)c1 ZINC000092066540 218114926 /nfs/dbraw/zinc/11/49/26/218114926.db2.gz JWGBVIUTQRISDR-UZLBHIALSA-N 2 1 330.472 3.153 20 0 EGADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(OC)c1 ZINC000092066540 218114928 /nfs/dbraw/zinc/11/49/28/218114928.db2.gz JWGBVIUTQRISDR-UZLBHIALSA-N 2 1 330.472 3.153 20 0 EGADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(OC)c1 ZINC000092066540 218114930 /nfs/dbraw/zinc/11/49/30/218114930.db2.gz JWGBVIUTQRISDR-UZLBHIALSA-N 2 1 330.472 3.153 20 0 EGADMP CC[N@H+](Cc1cc(Br)ccc1F)CC1CC[NH2+]CC1 ZINC000094011180 218260610 /nfs/dbraw/zinc/26/06/10/218260610.db2.gz QCYFSNOIQFZILJ-UHFFFAOYSA-N 2 1 329.257 3.410 20 0 EGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268757297 252207374 /nfs/dbraw/zinc/20/73/74/252207374.db2.gz YLYDCHFMVYJDMH-CYBMUJFWSA-N 2 1 348.459 3.065 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000268790501 252241499 /nfs/dbraw/zinc/24/14/99/252241499.db2.gz GHHPHIRKQRLCQG-AWEZNQCLSA-N 2 1 329.448 3.072 20 0 EGADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000268844135 252292517 /nfs/dbraw/zinc/29/25/17/252292517.db2.gz VCDVXQDXWRQYFK-GFCCVEGCSA-N 2 1 334.382 3.046 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000268844135 252292520 /nfs/dbraw/zinc/29/25/20/252292520.db2.gz VCDVXQDXWRQYFK-GFCCVEGCSA-N 2 1 334.382 3.046 20 0 EGADMP CCCOc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000268862025 252309517 /nfs/dbraw/zinc/30/95/17/252309517.db2.gz DWZRIZIWDGUKAY-HKUYNNGSSA-N 2 1 334.504 3.363 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)cc1 ZINC000268861894 252309551 /nfs/dbraw/zinc/30/95/51/252309551.db2.gz IAWWSJNALACRMN-KKSFZXQISA-N 2 1 335.451 3.435 20 0 EGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000268868668 252316857 /nfs/dbraw/zinc/31/68/57/252316857.db2.gz LBFXPVULDWSNIA-DLBZAZTESA-N 2 1 342.487 3.015 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1)C1CC1 ZINC000120459137 285096608 /nfs/dbraw/zinc/09/66/08/285096608.db2.gz LIPVNLLMSVHHDU-OXJNMPFZSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1)C1CC1 ZINC000120459137 285096609 /nfs/dbraw/zinc/09/66/09/285096609.db2.gz LIPVNLLMSVHHDU-OXJNMPFZSA-N 2 1 343.515 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1)C1CC1 ZINC000120459137 285096611 /nfs/dbraw/zinc/09/66/11/285096611.db2.gz LIPVNLLMSVHHDU-OXJNMPFZSA-N 2 1 343.515 3.083 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000153760173 224154277 /nfs/dbraw/zinc/15/42/77/224154277.db2.gz CQQUSNMUXJARPI-HUUCEWRRSA-N 2 1 335.517 3.346 20 0 EGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2csc(C[NH3+])n2)cc1 ZINC000237527447 141006625 /nfs/dbraw/zinc/00/66/25/141006625.db2.gz WSGAMBLRENWZPQ-ZDUSSCGKSA-N 2 1 344.484 3.229 20 0 EGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2csc(C[NH3+])n2)cc1 ZINC000237527447 141006626 /nfs/dbraw/zinc/00/66/26/141006626.db2.gz WSGAMBLRENWZPQ-ZDUSSCGKSA-N 2 1 344.484 3.229 20 0 EGADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC000246864446 141039527 /nfs/dbraw/zinc/03/95/27/141039527.db2.gz CQLVGNNCXHCXGG-JYRKZWEQSA-N 2 1 329.532 3.359 20 0 EGADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC000246864446 141039529 /nfs/dbraw/zinc/03/95/29/141039529.db2.gz CQLVGNNCXHCXGG-JYRKZWEQSA-N 2 1 329.532 3.359 20 0 EGADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC000246864446 141039533 /nfs/dbraw/zinc/03/95/33/141039533.db2.gz CQLVGNNCXHCXGG-JYRKZWEQSA-N 2 1 329.532 3.359 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000338031669 141077335 /nfs/dbraw/zinc/07/73/35/141077335.db2.gz VYKKCUFGAVWQLN-UHFFFAOYSA-N 2 1 333.520 3.236 20 0 EGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@H]1CCCOC1 ZINC000344486911 141164167 /nfs/dbraw/zinc/16/41/67/141164167.db2.gz RZDLYNLFKUPKMA-QGZVFWFLSA-N 2 1 328.456 3.428 20 0 EGADMP CC[N@@H+](CCCC1CC[NH+](C[C@H]2CCCO2)CC1)C[C@H]1CCCO1 ZINC000346456340 141198342 /nfs/dbraw/zinc/19/83/42/141198342.db2.gz OHINRIYXCKRUIP-WOJBJXKFSA-N 2 1 338.536 3.159 20 0 EGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cncc(F)c1 ZINC000350562227 141254174 /nfs/dbraw/zinc/25/41/74/141254174.db2.gz ZJGRRZMZYSVOJL-UYAOXDASSA-N 2 1 327.447 3.393 20 0 EGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1cncc(F)c1 ZINC000350562227 141254175 /nfs/dbraw/zinc/25/41/75/141254175.db2.gz ZJGRRZMZYSVOJL-UYAOXDASSA-N 2 1 327.447 3.393 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000352969025 141279939 /nfs/dbraw/zinc/27/99/39/141279939.db2.gz PQONSVRXVLWKGO-SJLPKXTDSA-N 2 1 332.488 3.361 20 0 EGADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000352969025 141279941 /nfs/dbraw/zinc/27/99/41/141279941.db2.gz PQONSVRXVLWKGO-SJLPKXTDSA-N 2 1 332.488 3.361 20 0 EGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403305 144264416 /nfs/dbraw/zinc/26/44/16/144264416.db2.gz CQCRMFWRNYKIOT-RTWAWAEBSA-N 2 1 329.532 3.315 20 0 EGADMP CN(CC[C@@H]1CCCC[NH+]1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000351403305 144264419 /nfs/dbraw/zinc/26/44/19/144264419.db2.gz CQCRMFWRNYKIOT-RTWAWAEBSA-N 2 1 329.532 3.315 20 0 EGADMP CN(CC[C@@H]1CCCC[NH+]1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000351403305 144264420 /nfs/dbraw/zinc/26/44/20/144264420.db2.gz CQCRMFWRNYKIOT-RTWAWAEBSA-N 2 1 329.532 3.315 20 0 EGADMP C[N@H+](C[C@H](O)C[NH+]1CCC(c2cccc3ccccc32)CC1)C1CC1 ZINC000351437511 144264859 /nfs/dbraw/zinc/26/48/59/144264859.db2.gz BYJSTZOGSUKVFH-FQEVSTJZSA-N 2 1 338.495 3.474 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH+]1CCC(c2cccc3ccccc32)CC1)C1CC1 ZINC000351437511 144264860 /nfs/dbraw/zinc/26/48/60/144264860.db2.gz BYJSTZOGSUKVFH-FQEVSTJZSA-N 2 1 338.495 3.474 20 0 EGADMP C[N@H+](C[C@H](O)C[NH+](CCc1ccccc1F)C1CCCC1)C1CC1 ZINC000351436826 144265390 /nfs/dbraw/zinc/26/53/90/144265390.db2.gz AUBJNZSEHPCPDG-IBGZPJMESA-N 2 1 334.479 3.068 20 0 EGADMP C[N@@H+](C[C@H](O)C[NH+](CCc1ccccc1F)C1CCCC1)C1CC1 ZINC000351436826 144265392 /nfs/dbraw/zinc/26/53/92/144265392.db2.gz AUBJNZSEHPCPDG-IBGZPJMESA-N 2 1 334.479 3.068 20 0 EGADMP C[NH+](C[C@H](O)C[N@H+](CCc1ccccc1F)C1CCCC1)C1CC1 ZINC000351436826 144265394 /nfs/dbraw/zinc/26/53/94/144265394.db2.gz AUBJNZSEHPCPDG-IBGZPJMESA-N 2 1 334.479 3.068 20 0 EGADMP C[NH+](C[C@H](O)C[N@@H+](CCc1ccccc1F)C1CCCC1)C1CC1 ZINC000351436826 144265396 /nfs/dbraw/zinc/26/53/96/144265396.db2.gz AUBJNZSEHPCPDG-IBGZPJMESA-N 2 1 334.479 3.068 20 0 EGADMP COCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@@H]1CC=CCC1 ZINC000361685291 144350376 /nfs/dbraw/zinc/35/03/76/144350376.db2.gz DIPPWFPGOVOSJD-GOSISDBHSA-N 2 1 340.471 3.380 20 0 EGADMP C[NH+](C)[C@H](CNc1cc[nH+]cc1Br)c1cccc(F)c1 ZINC000341348288 155246218 /nfs/dbraw/zinc/24/62/18/155246218.db2.gz ANNPQZBQYAORCT-OAHLLOKOSA-N 2 1 338.224 3.120 20 0 EGADMP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000192805672 153261569 /nfs/dbraw/zinc/26/15/69/153261569.db2.gz ZFHXPNGSBPZLSG-MGNMYUMUSA-N 2 1 349.906 3.142 20 0 EGADMP CCOc1c(Cl)cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1OC ZINC000262142814 153786823 /nfs/dbraw/zinc/78/68/23/153786823.db2.gz ZFNDBIRBZUNRCN-UHFFFAOYSA-N 2 1 338.879 3.323 20 0 EGADMP COc1cccc([C@@H](CNC(=[NH2+])N2CCC(C)CC2)[NH+]2CCCC2)c1 ZINC000303264772 154039903 /nfs/dbraw/zinc/03/99/03/154039903.db2.gz SRZVEVGSWKJWLL-LJQANCHMSA-N 2 1 344.503 3.088 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(SC)cc1OC ZINC000322855787 154170091 /nfs/dbraw/zinc/17/00/91/154170091.db2.gz RUOAPRCFPMYZGR-LSDHHAIUSA-N 2 1 336.501 3.142 20 0 EGADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(SC)cc1OC ZINC000322855787 154170096 /nfs/dbraw/zinc/17/00/96/154170096.db2.gz RUOAPRCFPMYZGR-LSDHHAIUSA-N 2 1 336.501 3.142 20 0 EGADMP COCC1(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC000336731201 154211689 /nfs/dbraw/zinc/21/16/89/154211689.db2.gz YOSGUSPKAIUYKF-WOJBJXKFSA-N 2 1 328.500 3.257 20 0 EGADMP COCC1(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC000336731201 154211691 /nfs/dbraw/zinc/21/16/91/154211691.db2.gz YOSGUSPKAIUYKF-WOJBJXKFSA-N 2 1 328.500 3.257 20 0 EGADMP COCC1(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC000336731201 154211693 /nfs/dbraw/zinc/21/16/93/154211693.db2.gz YOSGUSPKAIUYKF-WOJBJXKFSA-N 2 1 328.500 3.257 20 0 EGADMP [NH3+]CCCOC1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000336853031 154218512 /nfs/dbraw/zinc/21/85/12/154218512.db2.gz CFRMHZWCLFBLRH-UHFFFAOYSA-N 2 1 347.286 3.202 20 0 EGADMP COc1cc(C)c(C[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000337356476 154303632 /nfs/dbraw/zinc/30/36/32/154303632.db2.gz ARCMKBPNLORFEA-HNNXBMFYSA-N 2 1 332.488 3.160 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346820731 156151307 /nfs/dbraw/zinc/15/13/07/156151307.db2.gz IGXMLMOBTZJNEC-JBACZVJFSA-N 2 1 338.499 3.026 20 0 EGADMP COc1cc(C)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1OC ZINC000093563977 162015397 /nfs/dbraw/zinc/01/53/97/162015397.db2.gz FTDZKOHVPYXIKR-GOSISDBHSA-N 2 1 332.488 3.463 20 0 EGADMP COc1cc(C)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1OC ZINC000093563977 162015399 /nfs/dbraw/zinc/01/53/99/162015399.db2.gz FTDZKOHVPYXIKR-GOSISDBHSA-N 2 1 332.488 3.463 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(CC(C)C)cc3)C2)CC1 ZINC000107371373 162066053 /nfs/dbraw/zinc/06/60/53/162066053.db2.gz AWPWHPCOEDSQLO-NRFANRHFSA-N 2 1 329.532 3.097 20 0 EGADMP Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000114455549 162234750 /nfs/dbraw/zinc/23/47/50/162234750.db2.gz MQTMDYCQCXQEKA-FQEVSTJZSA-N 2 1 343.515 3.121 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125475698 162274510 /nfs/dbraw/zinc/27/45/10/162274510.db2.gz QDRQKNVYKAIGNZ-GPMSIDNRSA-N 3 1 335.561 3.278 20 0 EGADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125475698 162274512 /nfs/dbraw/zinc/27/45/12/162274512.db2.gz QDRQKNVYKAIGNZ-GPMSIDNRSA-N 2 1 335.561 3.278 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000125519398 162275817 /nfs/dbraw/zinc/27/58/17/162275817.db2.gz FUSDOWQGLAZQOG-LJQANCHMSA-N 2 1 340.471 3.099 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000125519398 162275819 /nfs/dbraw/zinc/27/58/19/162275819.db2.gz FUSDOWQGLAZQOG-LJQANCHMSA-N 2 1 340.471 3.099 20 0 EGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248458885 163006597 /nfs/dbraw/zinc/00/65/97/163006597.db2.gz VGZKJVPYRFQEAH-BSLALVQMSA-N 2 1 336.479 3.276 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248551433 163014072 /nfs/dbraw/zinc/01/40/72/163014072.db2.gz GTXQURIBFTVXGI-QKLQHJQFSA-N 2 1 341.499 3.035 20 0 EGADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248551433 163014073 /nfs/dbraw/zinc/01/40/73/163014073.db2.gz GTXQURIBFTVXGI-QKLQHJQFSA-N 2 1 341.499 3.035 20 0 EGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000248919911 163046779 /nfs/dbraw/zinc/04/67/79/163046779.db2.gz DYLLAMQNOFIDDX-ACRUOGEOSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248919911 163046786 /nfs/dbraw/zinc/04/67/86/163046786.db2.gz DYLLAMQNOFIDDX-ACRUOGEOSA-N 2 1 329.532 3.359 20 0 EGADMP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248919911 163046788 /nfs/dbraw/zinc/04/67/88/163046788.db2.gz DYLLAMQNOFIDDX-ACRUOGEOSA-N 2 1 329.532 3.359 20 0 EGADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248969768 163048443 /nfs/dbraw/zinc/04/84/43/163048443.db2.gz CGUJRMAGUZCWFB-XIYVOTBMSA-N 2 1 328.500 3.038 20 0 EGADMP CSc1ccccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343709172 164017618 /nfs/dbraw/zinc/01/76/18/164017618.db2.gz CVSQZVXMNQMBSB-INIZCTEOSA-N 2 1 333.545 3.009 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)cc1 ZINC000343808520 164039467 /nfs/dbraw/zinc/03/94/67/164039467.db2.gz BMTRLTUILOQVLA-OXJNMPFZSA-N 2 1 343.515 3.131 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000343808520 164039468 /nfs/dbraw/zinc/03/94/68/164039468.db2.gz BMTRLTUILOQVLA-OXJNMPFZSA-N 2 1 343.515 3.131 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)oc1C ZINC000343951067 164071874 /nfs/dbraw/zinc/07/18/74/164071874.db2.gz ZYJYPIFTHJCITG-OAHLLOKOSA-N 2 1 331.460 3.473 20 0 EGADMP CSc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000343974113 164075424 /nfs/dbraw/zinc/07/54/24/164075424.db2.gz IVHQCMUVWMNNIZ-OAHLLOKOSA-N 2 1 349.544 3.002 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1(C)C ZINC000344001576 164080365 /nfs/dbraw/zinc/08/03/65/164080365.db2.gz ARXCDIPFODHUQL-PWIZWCRZSA-N 2 1 346.515 3.201 20 0 EGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1(C)C ZINC000344001576 164080366 /nfs/dbraw/zinc/08/03/66/164080366.db2.gz ARXCDIPFODHUQL-PWIZWCRZSA-N 2 1 346.515 3.201 20 0 EGADMP O[C@@]1(CNCc2ccc(Cl)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344541587 164188541 /nfs/dbraw/zinc/18/85/41/164188541.db2.gz VMCUHUXZCHTTOZ-LJQANCHMSA-N 2 1 330.859 3.067 20 0 EGADMP O[C@@]1(C[NH2+]Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)C1 ZINC000344541587 164188544 /nfs/dbraw/zinc/18/85/44/164188544.db2.gz VMCUHUXZCHTTOZ-LJQANCHMSA-N 2 1 330.859 3.067 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc(NCC2CC2)ncn1 ZINC000345851616 164279202 /nfs/dbraw/zinc/27/92/02/164279202.db2.gz NLATYHONHXICSF-UHFFFAOYSA-N 2 1 339.487 3.173 20 0 EGADMP CC[NH+](CC)CCCCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000355585694 166251281 /nfs/dbraw/zinc/25/12/81/166251281.db2.gz MKVSHQNQEQLQNV-QGZVFWFLSA-N 2 1 339.911 3.181 20 0 EGADMP Cc1[nH+]ccc(N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000355676676 166280958 /nfs/dbraw/zinc/28/09/58/166280958.db2.gz BLRWVILGBSSBLI-IBGZPJMESA-N 2 1 345.874 3.117 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1)CC1CC1 ZINC000355893201 166339858 /nfs/dbraw/zinc/33/98/58/166339858.db2.gz IJXIQMHAEZXBDE-UHFFFAOYSA-N 2 1 343.515 3.120 20 0 EGADMP CC[C@H](C(=O)NC1CC([NH+]2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000356103075 166399610 /nfs/dbraw/zinc/39/96/10/166399610.db2.gz DNHWSENCLPRXPI-SOAGJPPSSA-N 2 1 343.515 3.030 20 0 EGADMP CN(C)C(=O)c1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000359118194 167072312 /nfs/dbraw/zinc/07/23/12/167072312.db2.gz UMIQBXPCAAVJEX-UHFFFAOYSA-N 2 1 343.515 3.275 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000359120655 167072688 /nfs/dbraw/zinc/07/26/88/167072688.db2.gz YYNGYXQBJMWGQB-QFBILLFUSA-N 2 1 325.456 3.233 20 0 EGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000359120655 167072690 /nfs/dbraw/zinc/07/26/90/167072690.db2.gz YYNGYXQBJMWGQB-QFBILLFUSA-N 2 1 325.456 3.233 20 0 EGADMP CCOC(=O)[C@H](CC(C)C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000360198478 167268306 /nfs/dbraw/zinc/26/83/06/167268306.db2.gz HJQLPTWNXDESHO-IBGZPJMESA-N 2 1 347.503 3.208 20 0 EGADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000360239894 167279148 /nfs/dbraw/zinc/27/91/48/167279148.db2.gz COHLGHRAPXFZMA-CJNGLKHVSA-N 2 1 331.287 3.491 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)cc1)C(C)C ZINC000361080436 167513847 /nfs/dbraw/zinc/51/38/47/167513847.db2.gz NYOIEWDXEGXXPG-UXHICEINSA-N 2 1 343.515 3.035 20 0 EGADMP Cn1nccc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000365927810 168060694 /nfs/dbraw/zinc/06/06/94/168060694.db2.gz MGJIPNKIQIIIHK-CEWLAPEOSA-N 2 1 338.499 3.201 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C(F)F)c3)C2)CC1 ZINC000366195274 168092789 /nfs/dbraw/zinc/09/27/89/168092789.db2.gz UYZPKXIZDIEYNV-GOSISDBHSA-N 2 1 337.458 3.225 20 0 EGADMP FC(F)(F)COc1ccc(CNCc2cnc3n2CCCC3)cc1 ZINC000367415051 168222963 /nfs/dbraw/zinc/22/29/63/168222963.db2.gz JSJQAFLAWDKAQC-UHFFFAOYSA-N 2 1 339.361 3.450 20 0 EGADMP c1cncc([C@H]2OCC[C@@H]2[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000367469177 168230482 /nfs/dbraw/zinc/23/04/82/168230482.db2.gz JXJIVTWGXMGBCJ-VQTJNVASSA-N 2 1 329.488 3.298 20 0 EGADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000353459203 287314433 /nfs/dbraw/zinc/31/44/33/287314433.db2.gz LHTXQAOCXRPDAL-GTAWCEEGSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000168509334 226218142 /nfs/dbraw/zinc/21/81/42/226218142.db2.gz JGSVONFGWIUOHM-RNQOJCNYSA-N 2 1 343.515 3.015 20 0 EGADMP CC1(C)[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C[C@H]1c1ccccc1 ZINC000123221313 222238410 /nfs/dbraw/zinc/23/84/10/222238410.db2.gz WUSCASLFSLCYSL-HSALFYBXSA-N 2 1 330.516 3.395 20 0 EGADMP CCc1cc(NC[C@@H](C)[NH+]2CCN(CC)CC2)c2ccccc2[nH+]1 ZINC000123697820 222319506 /nfs/dbraw/zinc/31/95/06/222319506.db2.gz VSPZGGRDBYCHIX-MRXNPFEDSA-N 2 1 326.488 3.235 20 0 EGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCC[C@H]4OCC[C@@H]43)CC2)cc1 ZINC000124898688 222493572 /nfs/dbraw/zinc/49/35/72/222493572.db2.gz LLNIUAVWEMDZEE-QHAWAJNXSA-N 2 1 328.500 3.241 20 0 EGADMP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000177490856 265258791 /nfs/dbraw/zinc/25/87/91/265258791.db2.gz LWMURBWDFFTNOM-IXDOHACOSA-N 2 1 339.524 3.096 20 0 EGADMP c1coc(-c2nnc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)o2)c1 ZINC000178912399 265349254 /nfs/dbraw/zinc/34/92/54/265349254.db2.gz ZEEJJPZTNOIHNG-UHFFFAOYSA-N 2 1 344.459 3.418 20 0 EGADMP Cn1c2ccccc2nc1CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000265630496 266271019 /nfs/dbraw/zinc/27/10/19/266271019.db2.gz FGBGSYASTNDVHM-KRWDZBQOSA-N 2 1 326.488 3.066 20 0 EGADMP Cc1noc(CCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000271548931 266684638 /nfs/dbraw/zinc/68/46/38/266684638.db2.gz ZSNRGINUPYLCIC-CYBMUJFWSA-N 2 1 325.416 3.156 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273258283 267007910 /nfs/dbraw/zinc/00/79/10/267007910.db2.gz SRYJJGNHCZLOGN-IEBWSBKVSA-N 2 1 345.531 3.134 20 0 EGADMP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274759424 267282076 /nfs/dbraw/zinc/28/20/76/267282076.db2.gz JQIAGIAVSNETNT-QUCCMNQESA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274759424 267282078 /nfs/dbraw/zinc/28/20/78/267282078.db2.gz JQIAGIAVSNETNT-QUCCMNQESA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274759425 267282473 /nfs/dbraw/zinc/28/24/73/267282473.db2.gz JQIAGIAVSNETNT-UYAOXDASSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274759425 267282475 /nfs/dbraw/zinc/28/24/75/267282475.db2.gz JQIAGIAVSNETNT-UYAOXDASSA-N 2 1 329.532 3.219 20 0 EGADMP C[N@@H+](CCC[NH+]1CCCCC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000275417228 267358130 /nfs/dbraw/zinc/35/81/30/267358130.db2.gz FIVQOUPBXBGVSE-UHFFFAOYSA-N 2 1 343.515 3.099 20 0 EGADMP c1ccc([C@@H]2C[C@@H]2C[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000348266304 275068439 /nfs/dbraw/zinc/06/84/39/275068439.db2.gz XQRIDMBUTHVEGM-UXHICEINSA-N 2 1 328.500 3.415 20 0 EGADMP COc1cccc(C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C2CC2)c1 ZINC000278797761 275275753 /nfs/dbraw/zinc/27/57/53/275275753.db2.gz YZNHTNLEQICNFR-UTKZUKDTSA-N 2 1 346.515 3.107 20 0 EGADMP COc1cccc(C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C2CC2)c1 ZINC000278797761 275275754 /nfs/dbraw/zinc/27/57/54/275275754.db2.gz YZNHTNLEQICNFR-UTKZUKDTSA-N 2 1 346.515 3.107 20 0 EGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CCS2 ZINC000279047283 275299031 /nfs/dbraw/zinc/29/90/31/275299031.db2.gz XRIBPMFUADRRLX-XJKSGUPXSA-N 2 1 329.469 3.281 20 0 EGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2cc(C)n(C)n2)cc1 ZINC000282072462 275600802 /nfs/dbraw/zinc/60/08/02/275600802.db2.gz HCYZIRHPONLXOJ-QGZVFWFLSA-N 2 1 344.503 3.300 20 0 EGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@H](C)CCSC)CC1 ZINC000353799684 276203422 /nfs/dbraw/zinc/20/34/22/276203422.db2.gz BLPYDERFXOHOPK-QGZVFWFLSA-N 2 1 335.561 3.402 20 0 EGADMP Cc1ccc(F)c(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c1 ZINC000288609932 276234133 /nfs/dbraw/zinc/23/41/33/276234133.db2.gz QLVQGDLMXRSGDA-UHFFFAOYSA-N 2 1 331.435 3.149 20 0 EGADMP CC[N@H+](CCC[NH+](C)C)Cc1cccc(OCc2ccccn2)c1 ZINC000289481480 276345634 /nfs/dbraw/zinc/34/56/34/276345634.db2.gz QMYQTUKGOOLFGZ-UHFFFAOYSA-N 2 1 327.472 3.434 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(OCc2ccccn2)c1 ZINC000289481480 276345636 /nfs/dbraw/zinc/34/56/36/276345636.db2.gz QMYQTUKGOOLFGZ-UHFFFAOYSA-N 2 1 327.472 3.434 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH+](CC)C[C@H]2C)cc1)C1CC1 ZINC000345965835 276353772 /nfs/dbraw/zinc/35/37/72/276353772.db2.gz RLEJTEVKROLMNW-IAGOWNOFSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)cc1)C1CC1 ZINC000345965835 276353773 /nfs/dbraw/zinc/35/37/73/276353773.db2.gz RLEJTEVKROLMNW-IAGOWNOFSA-N 2 1 343.515 3.226 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)cc1)C1CC1 ZINC000345965835 276353775 /nfs/dbraw/zinc/35/37/75/276353775.db2.gz RLEJTEVKROLMNW-IAGOWNOFSA-N 2 1 343.515 3.226 20 0 EGADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C1CC[NH+](C)CC1 ZINC000289613447 276366519 /nfs/dbraw/zinc/36/65/19/276366519.db2.gz FFSVVNJZSBZOQV-NSHDSACASA-N 2 1 329.257 3.203 20 0 EGADMP CCOCc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1OC ZINC000289634858 276369903 /nfs/dbraw/zinc/36/99/03/276369903.db2.gz MDQIGJJUGHCIAQ-DFNIBXOVSA-N 2 1 332.488 3.289 20 0 EGADMP CCOCc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1OC ZINC000289634858 276369904 /nfs/dbraw/zinc/36/99/04/276369904.db2.gz MDQIGJJUGHCIAQ-DFNIBXOVSA-N 2 1 332.488 3.289 20 0 EGADMP CCOCc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OC ZINC000289634858 276369905 /nfs/dbraw/zinc/36/99/05/276369905.db2.gz MDQIGJJUGHCIAQ-DFNIBXOVSA-N 2 1 332.488 3.289 20 0 EGADMP CCOCc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC ZINC000289634858 276369906 /nfs/dbraw/zinc/36/99/06/276369906.db2.gz MDQIGJJUGHCIAQ-DFNIBXOVSA-N 2 1 332.488 3.289 20 0 EGADMP CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000359301542 277732158 /nfs/dbraw/zinc/73/21/58/277732158.db2.gz KDBWZIWLPLENKN-WBMJQRKESA-N 2 1 341.293 3.209 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000354284592 279154598 /nfs/dbraw/zinc/15/45/98/279154598.db2.gz XWYIBNOPESJNHX-NSHGMRRFSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](CC)C[C@H]2C)cc1)C(C)C ZINC000341841126 279234838 /nfs/dbraw/zinc/23/48/38/279234838.db2.gz NRSMFTOWIKLYTK-QGZVFWFLSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](CC)C[C@H]2C)cc1)C(C)C ZINC000341841126 279234840 /nfs/dbraw/zinc/23/48/40/279234840.db2.gz NRSMFTOWIKLYTK-QGZVFWFLSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](CC)C[C@H]2C)cc1)C(C)C ZINC000341841126 279234842 /nfs/dbraw/zinc/23/48/42/279234842.db2.gz NRSMFTOWIKLYTK-QGZVFWFLSA-N 2 1 331.504 3.083 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000355383475 282025051 /nfs/dbraw/zinc/02/50/51/282025051.db2.gz SLIMAPXIRHXCBX-CZUORRHYSA-N 2 1 339.911 3.226 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[N@@H+](C)C(C)C)c1 ZINC000063467702 307354664 /nfs/dbraw/zinc/35/46/64/307354664.db2.gz HSBGCJKDSCMETG-UHFFFAOYSA-N 2 1 328.460 3.334 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[N@H+](C)C(C)C)c1 ZINC000063467702 307354665 /nfs/dbraw/zinc/35/46/65/307354665.db2.gz HSBGCJKDSCMETG-UHFFFAOYSA-N 2 1 328.460 3.334 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccn(C)n3)CC2)cs1 ZINC000414110995 309061482 /nfs/dbraw/zinc/06/14/82/309061482.db2.gz IPMABBZBLKXJOT-AWEZNQCLSA-N 2 1 347.532 3.002 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414124769 309062313 /nfs/dbraw/zinc/06/23/13/309062313.db2.gz CLNACVNBWPBFNJ-XLIONFOSSA-N 2 1 339.483 3.133 20 0 EGADMP CO[C@](C)([C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000414227919 309067648 /nfs/dbraw/zinc/06/76/48/309067648.db2.gz LGRVHYPBJQVKRL-LAUBAEHRSA-N 2 1 330.516 3.487 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414296252 309071066 /nfs/dbraw/zinc/07/10/66/309071066.db2.gz GSMWJLXDSWSXTO-MRXNPFEDSA-N 2 1 330.451 3.141 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414296252 309071067 /nfs/dbraw/zinc/07/10/67/309071067.db2.gz GSMWJLXDSWSXTO-MRXNPFEDSA-N 2 1 330.451 3.141 20 0 EGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414318793 309072673 /nfs/dbraw/zinc/07/26/73/309072673.db2.gz QRZWULLDYAVTSD-MRXNPFEDSA-N 2 1 330.451 3.141 20 0 EGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414318793 309072674 /nfs/dbraw/zinc/07/26/74/309072674.db2.gz QRZWULLDYAVTSD-MRXNPFEDSA-N 2 1 330.451 3.141 20 0 EGADMP CCc1ncc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414365153 309075559 /nfs/dbraw/zinc/07/55/59/309075559.db2.gz KAUPZQACDCWXDR-HKUYNNGSSA-N 2 1 338.499 3.429 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248597242 308006704 /nfs/dbraw/zinc/00/67/04/308006704.db2.gz TXNZCTGLEMFMQJ-NUABRCLCSA-N 2 1 349.563 3.312 20 0 EGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248597242 308006705 /nfs/dbraw/zinc/00/67/05/308006705.db2.gz TXNZCTGLEMFMQJ-NUABRCLCSA-N 2 1 349.563 3.312 20 0 EGADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248817991 308012252 /nfs/dbraw/zinc/01/22/52/308012252.db2.gz LDNJSAKVGZLDQO-QQXMDYFESA-N 2 1 344.499 3.074 20 0 EGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3cccc(Cl)c3)C2)C1 ZINC000292823349 308069866 /nfs/dbraw/zinc/06/98/66/308069866.db2.gz AAIQKLJCEQPRNA-SFHVURJKSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(=O)Nc3cccc(Cl)c3)C2)C1 ZINC000292823349 308069868 /nfs/dbraw/zinc/06/98/68/308069868.db2.gz AAIQKLJCEQPRNA-SFHVURJKSA-N 2 1 335.879 3.086 20 0 EGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)Nc3cccc(Cl)c3)C2)C1 ZINC000292823349 308069870 /nfs/dbraw/zinc/06/98/70/308069870.db2.gz AAIQKLJCEQPRNA-SFHVURJKSA-N 2 1 335.879 3.086 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000292828984 308070196 /nfs/dbraw/zinc/07/01/96/308070196.db2.gz UACWATXKJKEMHE-HNNXBMFYSA-N 2 1 342.443 3.279 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cnn(CC(F)F)c1 ZINC000292993283 308087939 /nfs/dbraw/zinc/08/79/39/308087939.db2.gz NBBBCGHUPXWRGT-CRAIPNDOSA-N 2 1 348.441 3.148 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292993283 308087941 /nfs/dbraw/zinc/08/79/41/308087941.db2.gz NBBBCGHUPXWRGT-CRAIPNDOSA-N 2 1 348.441 3.148 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292993283 308087943 /nfs/dbraw/zinc/08/79/43/308087943.db2.gz NBBBCGHUPXWRGT-CRAIPNDOSA-N 2 1 348.441 3.148 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292993283 308087945 /nfs/dbraw/zinc/08/79/45/308087945.db2.gz NBBBCGHUPXWRGT-CRAIPNDOSA-N 2 1 348.441 3.148 20 0 EGADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)CC[NH2+]1 ZINC000414704673 309096357 /nfs/dbraw/zinc/09/63/57/309096357.db2.gz MQUSUXNCPOXOMJ-SJORKVTESA-N 2 1 326.488 3.329 20 0 EGADMP C[C@@H]1C[C@@H](C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000414716126 309097001 /nfs/dbraw/zinc/09/70/01/309097001.db2.gz ZJPDNCZMVIZGIS-OCCSQVGLSA-N 2 1 331.287 3.176 20 0 EGADMP C[N@@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)CC(C)(C)C[NH3+] ZINC000414662039 309094456 /nfs/dbraw/zinc/09/44/56/309094456.db2.gz POQPOBHXABFKKU-UHFFFAOYSA-N 2 1 340.393 3.308 20 0 EGADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414741002 309098279 /nfs/dbraw/zinc/09/82/79/309098279.db2.gz RPTWZFJMUAEXPY-FQEVSTJZSA-N 2 1 339.487 3.231 20 0 EGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414741002 309098280 /nfs/dbraw/zinc/09/82/80/309098280.db2.gz RPTWZFJMUAEXPY-FQEVSTJZSA-N 2 1 339.487 3.231 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744340 309098394 /nfs/dbraw/zinc/09/83/94/309098394.db2.gz PLXMVWAJRXBMCQ-BAGYTPMASA-N 3 1 341.543 3.363 20 0 EGADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744340 309098395 /nfs/dbraw/zinc/09/83/95/309098395.db2.gz PLXMVWAJRXBMCQ-BAGYTPMASA-N 3 1 341.543 3.363 20 0 EGADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744340 309098396 /nfs/dbraw/zinc/09/83/96/309098396.db2.gz PLXMVWAJRXBMCQ-BAGYTPMASA-N 3 1 341.543 3.363 20 0 EGADMP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744340 309098397 /nfs/dbraw/zinc/09/83/97/309098397.db2.gz PLXMVWAJRXBMCQ-BAGYTPMASA-N 2 1 341.543 3.363 20 0 EGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CC[NH2+]1 ZINC000414744340 309098398 /nfs/dbraw/zinc/09/83/98/309098398.db2.gz PLXMVWAJRXBMCQ-BAGYTPMASA-N 2 1 341.543 3.363 20 0 EGADMP C[C@@H]1C[C@@H](C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC[NH2+]1 ZINC000414752653 309098783 /nfs/dbraw/zinc/09/87/83/309098783.db2.gz LAEBKLSWJJAYSH-CTNGQTDRSA-N 3 1 341.543 3.363 20 0 EGADMP Fc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000414773756 309100160 /nfs/dbraw/zinc/10/01/60/309100160.db2.gz DZQPTYDSEBWLJE-QWHCGFSZSA-N 2 1 341.268 3.410 20 0 EGADMP Cc1cc(C[N@H+](C)C2CC([NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000414777800 309100454 /nfs/dbraw/zinc/10/04/54/309100454.db2.gz OXJXVZAWMZBMEU-UHFFFAOYSA-N 2 1 325.456 3.199 20 0 EGADMP c1nc(-c2ccccn2)sc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414778450 309100463 /nfs/dbraw/zinc/10/04/63/309100463.db2.gz IWDLRABZIVSECH-LSDHHAIUSA-N 2 1 328.485 3.027 20 0 EGADMP Fc1ccc(Br)cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414781100 309100710 /nfs/dbraw/zinc/10/07/10/309100710.db2.gz MNIMZPSSZAKYFT-CHWSQXEVSA-N 2 1 341.268 3.410 20 0 EGADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414782233 309100803 /nfs/dbraw/zinc/10/08/03/309100803.db2.gz NZQKPALMHBNLMK-ZIAGYGMSSA-N 2 1 332.879 3.048 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414788936 309101275 /nfs/dbraw/zinc/10/12/75/309101275.db2.gz XNGQDJROQQWDRW-OALUTQOASA-N 2 1 338.499 3.311 20 0 EGADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CC2)ccc1OCc1cccs1 ZINC000414790880 309101548 /nfs/dbraw/zinc/10/15/48/309101548.db2.gz AOCBPSKRZLKCPA-MRXNPFEDSA-N 2 1 332.469 3.163 20 0 EGADMP Fc1ccc(Br)cc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298589757 308626533 /nfs/dbraw/zinc/62/65/33/308626533.db2.gz YJDHINUMIZYDSD-UHFFFAOYSA-N 2 1 341.268 3.347 20 0 EGADMP c1ccc2nc(N3CCCCC3)c(C[NH2+]C[C@@H]3CCC[NH2+]C3)cc2c1 ZINC000414841915 309104930 /nfs/dbraw/zinc/10/49/30/309104930.db2.gz ZRLQWAHSCBPFGU-QGZVFWFLSA-N 2 1 338.499 3.314 20 0 EGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414854791 309105879 /nfs/dbraw/zinc/10/58/79/309105879.db2.gz VMOCXGOXNKGYRQ-WMLDXEAASA-N 2 1 339.911 3.040 20 0 EGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414863157 309106201 /nfs/dbraw/zinc/10/62/01/309106201.db2.gz XZNNXWQLZCTFGI-HIFRSBDPSA-N 2 1 332.879 3.312 20 0 EGADMP C[C@H](CC[NH3+])[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000414894990 309107854 /nfs/dbraw/zinc/10/78/54/309107854.db2.gz MGPLDTGSPLVWHO-SNVBAGLBSA-N 2 1 340.290 3.400 20 0 EGADMP Fc1ccc(Cn2cc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cn2)cc1 ZINC000415034261 309115641 /nfs/dbraw/zinc/11/56/41/309115641.db2.gz CMJUTQKVFVBTSE-QUCCMNQESA-N 2 1 342.462 3.035 20 0 EGADMP Fc1ccc(Cn2cc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cn2)cc1 ZINC000415034261 309115642 /nfs/dbraw/zinc/11/56/42/309115642.db2.gz CMJUTQKVFVBTSE-QUCCMNQESA-N 2 1 342.462 3.035 20 0 EGADMP Fc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415038568 309115792 /nfs/dbraw/zinc/11/57/92/309115792.db2.gz HYYUGSHOJDLUCC-HIFRSBDPSA-N 2 1 328.378 3.391 20 0 EGADMP Fc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415038568 309115793 /nfs/dbraw/zinc/11/57/93/309115793.db2.gz HYYUGSHOJDLUCC-HIFRSBDPSA-N 2 1 328.378 3.391 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1OC(F)F ZINC000415057070 309117073 /nfs/dbraw/zinc/11/70/73/309117073.db2.gz TVDUWULUPLJHRJ-CABCVRRESA-N 2 1 340.414 3.261 20 0 EGADMP COCCOc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415081347 309119009 /nfs/dbraw/zinc/11/90/09/309119009.db2.gz MSRHODHIDSFXJL-UXHICEINSA-N 2 1 340.467 3.295 20 0 EGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000415113533 309121166 /nfs/dbraw/zinc/12/11/66/309121166.db2.gz UIVLUEZQLKEEBL-DLBZAZTESA-N 2 1 326.843 3.197 20 0 EGADMP [NH3+]C[C@H]1C[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)CCCO1 ZINC000415117477 309121397 /nfs/dbraw/zinc/12/13/97/309121397.db2.gz ZJHSGBQTRFXWMC-QFIPXVFZSA-N 2 1 338.495 3.138 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C[C@H]1C[NH3+] ZINC000415119263 309121574 /nfs/dbraw/zinc/12/15/74/309121574.db2.gz FETAXTNQJKIFLI-SJLPKXTDSA-N 2 1 325.456 3.077 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3csc(-c4ccco4)n3)CC2)C1 ZINC000415124733 309122033 /nfs/dbraw/zinc/12/20/33/309122033.db2.gz NFLUIVIRYAQFBG-RHSMWYFYSA-N 2 1 347.484 3.121 20 0 EGADMP NC1(C[NH2+]Cc2cc(F)ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000415133068 309122818 /nfs/dbraw/zinc/12/28/18/309122818.db2.gz MFHYMGJWHAEYGL-UHFFFAOYSA-N 2 1 345.437 3.048 20 0 EGADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000415934134 309149668 /nfs/dbraw/zinc/14/96/68/309149668.db2.gz RDUAVUKYWMSNJQ-MRXNPFEDSA-N 2 1 344.503 3.134 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415982700 309152747 /nfs/dbraw/zinc/15/27/47/309152747.db2.gz XQXCROINRFFZBO-HNAYVOBHSA-N 2 1 338.455 3.102 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)F)C2)cc1 ZINC000417376189 309203398 /nfs/dbraw/zinc/20/33/98/309203398.db2.gz BVMCLSAMGBXUHU-CZUORRHYSA-N 2 1 334.414 3.171 20 0 EGADMP CN(C)C(=O)c1ccccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000417940155 309229047 /nfs/dbraw/zinc/22/90/47/309229047.db2.gz LKHIPPPPFSUMPM-UHFFFAOYSA-N 2 1 343.515 3.275 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000420299306 309280233 /nfs/dbraw/zinc/28/02/33/309280233.db2.gz AQAVVSLEDIGERH-VMXMFDLUSA-N 2 1 349.478 3.344 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000420299306 309280234 /nfs/dbraw/zinc/28/02/34/309280234.db2.gz AQAVVSLEDIGERH-VMXMFDLUSA-N 2 1 349.478 3.344 20 0 EGADMP COCC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(F)cc1Cl ZINC000420300373 309280298 /nfs/dbraw/zinc/28/02/98/309280298.db2.gz KEOLTDYGLLXBSD-CQSZACIVSA-N 2 1 328.859 3.317 20 0 EGADMP c1csc(C[N@H+](CC[C@@H]2CCCCO2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000420303291 309280426 /nfs/dbraw/zinc/28/04/26/309280426.db2.gz CRBGSKMKLDAISR-HOTGVXAUSA-N 2 1 335.517 3.046 20 0 EGADMP CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H](C)c1cccc(OC)c1 ZINC000420302259 309280462 /nfs/dbraw/zinc/28/04/62/309280462.db2.gz JJYLSOAABJYGSR-NDXORKPFSA-N 2 1 342.483 3.009 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420306860 309280747 /nfs/dbraw/zinc/28/07/47/309280747.db2.gz BCRXQQLYXKUWRD-DYXWJJEUSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000420306860 309280748 /nfs/dbraw/zinc/28/07/48/309280748.db2.gz BCRXQQLYXKUWRD-DYXWJJEUSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000420306860 309280749 /nfs/dbraw/zinc/28/07/49/309280749.db2.gz BCRXQQLYXKUWRD-DYXWJJEUSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2CCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000420306860 309280750 /nfs/dbraw/zinc/28/07/50/309280750.db2.gz BCRXQQLYXKUWRD-DYXWJJEUSA-N 3 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000420306860 309280751 /nfs/dbraw/zinc/28/07/51/309280751.db2.gz BCRXQQLYXKUWRD-DYXWJJEUSA-N 3 1 329.532 3.361 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000420312685 309281337 /nfs/dbraw/zinc/28/13/37/309281337.db2.gz IHJPGMASRBCARD-ZWOKBUDYSA-N 2 1 337.467 3.344 20 0 EGADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000420312685 309281338 /nfs/dbraw/zinc/28/13/38/309281338.db2.gz IHJPGMASRBCARD-ZWOKBUDYSA-N 2 1 337.467 3.344 20 0 EGADMP C[N@@H+](CCOc1cc(F)cc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000420318408 309281704 /nfs/dbraw/zinc/28/17/04/309281704.db2.gz WBECURWUVKNTMI-AWEZNQCLSA-N 2 1 345.256 3.041 20 0 EGADMP CC[N@H+](Cc1cccc(Cl)c1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420319953 309281740 /nfs/dbraw/zinc/28/17/40/309281740.db2.gz PRDAYCZEZBWWHO-OALUTQOASA-N 2 1 332.875 3.093 20 0 EGADMP Fc1cccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)co2)c1 ZINC000420319400 309281760 /nfs/dbraw/zinc/28/17/60/309281760.db2.gz ABMOVTCTIXXPEY-CVEARBPZSA-N 2 1 329.419 3.302 20 0 EGADMP COc1ccccc1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CCCO1 ZINC000420320028 309281857 /nfs/dbraw/zinc/28/18/57/309281857.db2.gz QBSQDMCCGXQUSR-PKOBYXMFSA-N 2 1 332.488 3.066 20 0 EGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000420319265 309281940 /nfs/dbraw/zinc/28/19/40/309281940.db2.gz OZMXCGOTNZXPQJ-ZIAGYGMSSA-N 2 1 330.863 3.275 20 0 EGADMP C[N@H+](Cc1ccc2ccccc2c1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420320471 309282064 /nfs/dbraw/zinc/28/20/64/309282064.db2.gz QGZQQSDQQHCEKX-VXKWHMMOSA-N 2 1 334.463 3.203 20 0 EGADMP Cc1cc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)ccc1F ZINC000420338791 309283140 /nfs/dbraw/zinc/28/31/40/309283140.db2.gz XZVNZISFCKIFNG-CVEARBPZSA-N 2 1 344.434 3.006 20 0 EGADMP c1ccc(-c2n[nH]c([C@@H]3CCC[N@H+](CCC4CC[NH2+]CC4)C3)n2)cc1 ZINC000420367073 309284499 /nfs/dbraw/zinc/28/44/99/309284499.db2.gz GNNFXLHCEDDRAE-GOSISDBHSA-N 2 1 339.487 3.041 20 0 EGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000420381813 309285539 /nfs/dbraw/zinc/28/55/39/309285539.db2.gz PCXLORXNUZQWAQ-SJORKVTESA-N 2 1 347.484 3.121 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1Cl ZINC000420411113 309286909 /nfs/dbraw/zinc/28/69/09/309286909.db2.gz YFPFLHINXMHTOF-YOEHRIQHSA-N 2 1 335.879 3.133 20 0 EGADMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1 ZINC000420413100 309287219 /nfs/dbraw/zinc/28/72/19/309287219.db2.gz ZRAGIXFKUYRUTB-YOEHRIQHSA-N 2 1 335.879 3.133 20 0 EGADMP COc1ccc2c(c1)OC(C)(C)C[N@@H+](CCCn1cc[nH+]c1C)C2 ZINC000421046074 309310192 /nfs/dbraw/zinc/31/01/92/309310192.db2.gz WAFBTMHLXRURJF-UHFFFAOYSA-N 2 1 329.444 3.263 20 0 EGADMP COc1ccc2c(c1)OC(C)(C)C[N@H+](CCCn1cc[nH+]c1C)C2 ZINC000421046074 309310193 /nfs/dbraw/zinc/31/01/93/309310193.db2.gz WAFBTMHLXRURJF-UHFFFAOYSA-N 2 1 329.444 3.263 20 0 EGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C)c(F)c3)CC2)CC1 ZINC000421370791 309321309 /nfs/dbraw/zinc/32/13/09/309321309.db2.gz IVWSUSYJRXKNNY-UHFFFAOYSA-N 2 1 333.495 3.126 20 0 EGADMP COC1([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCCCC1 ZINC000421830386 309342093 /nfs/dbraw/zinc/34/20/93/309342093.db2.gz BMIOYAPAHIWBEZ-FGTMMUONSA-N 2 1 326.525 3.203 20 0 EGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000421838805 309342714 /nfs/dbraw/zinc/34/27/14/309342714.db2.gz VQQDEKIVXGXNHM-PBHICJAKSA-N 2 1 342.886 3.237 20 0 EGADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000421854831 309343586 /nfs/dbraw/zinc/34/35/86/309343586.db2.gz MGKWVICPBXRBOQ-CQSZACIVSA-N 2 1 339.911 3.025 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc(NC(N)=O)cc1 ZINC000422730240 309365516 /nfs/dbraw/zinc/36/55/16/309365516.db2.gz LVAPUFMLWHKXLP-JVPBZIDWSA-N 2 1 338.455 3.321 20 0 EGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422730947 309365545 /nfs/dbraw/zinc/36/55/45/309365545.db2.gz MWLUOGZXTRXFLS-DLBZAZTESA-N 2 1 342.314 3.427 20 0 EGADMP Fc1ccc(F)c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422733596 309365765 /nfs/dbraw/zinc/36/57/65/309365765.db2.gz BLRLKVJULLIXCB-PKOBYXMFSA-N 2 1 330.378 3.310 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422734791 309365945 /nfs/dbraw/zinc/36/59/45/309365945.db2.gz CTQXHERYJJREQQ-VLCRHTCISA-N 2 1 337.511 3.199 20 0 EGADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@H]3CCCCN3)CC2)cc1 ZINC000422784377 309368001 /nfs/dbraw/zinc/36/80/01/309368001.db2.gz PNZIHKRSIUMJHO-UTKZUKDTSA-N 2 1 345.531 3.027 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000422866715 309372795 /nfs/dbraw/zinc/37/27/95/309372795.db2.gz QVQDEGFMZSTUDM-XVSDAANHSA-N 3 1 327.516 3.291 20 0 EGADMP C[C@H]1CCC[N@H+](Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000422866715 309372796 /nfs/dbraw/zinc/37/27/96/309372796.db2.gz QVQDEGFMZSTUDM-XVSDAANHSA-N 2 1 327.516 3.291 20 0 EGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000422866715 309372797 /nfs/dbraw/zinc/37/27/97/309372797.db2.gz QVQDEGFMZSTUDM-XVSDAANHSA-N 2 1 327.516 3.291 20 0 EGADMP COc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1Br ZINC000422876755 309373514 /nfs/dbraw/zinc/37/35/14/309373514.db2.gz GLWVROGANVFCAS-KGLIPLIRSA-N 2 1 327.266 3.207 20 0 EGADMP C[C@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1c[nH+]ccc1N ZINC000422893143 309374597 /nfs/dbraw/zinc/37/45/97/309374597.db2.gz OZYNVXQSXAVCIE-NSHDSACASA-N 2 1 325.334 3.286 20 0 EGADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000422892240 309374676 /nfs/dbraw/zinc/37/46/76/309374676.db2.gz XZMWQARRFIWGGI-AUUYWEPGSA-N 2 1 329.419 3.491 20 0 EGADMP C[NH+](C)CCOc1cccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422900664 309375088 /nfs/dbraw/zinc/37/50/88/309375088.db2.gz QVINUHKBBMZCDX-PWRODBHTSA-N 2 1 345.531 3.027 20 0 EGADMP C[C@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)[C@@H]1CCCC[NH2+]1 ZINC000422953066 309377952 /nfs/dbraw/zinc/37/79/52/309377952.db2.gz CWBXULFEBQLNJL-HOCLYGCPSA-N 2 1 330.501 3.258 20 0 EGADMP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423009493 309380716 /nfs/dbraw/zinc/38/07/16/309380716.db2.gz CYTHPLSZMDPUSO-ZETOZRRWSA-N 2 1 329.257 3.249 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423003004 309380278 /nfs/dbraw/zinc/38/02/78/309380278.db2.gz KNKORODQQWWIMV-FMWKFLBASA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCCCN1 ZINC000423003004 309380279 /nfs/dbraw/zinc/38/02/79/309380279.db2.gz KNKORODQQWWIMV-FMWKFLBASA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCN1 ZINC000423003004 309380280 /nfs/dbraw/zinc/38/02/80/309380280.db2.gz KNKORODQQWWIMV-FMWKFLBASA-N 2 1 329.532 3.407 20 0 EGADMP C[C@H]1C[C@H](CC[NH2+]C2CCC(C[NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC000423007840 309380541 /nfs/dbraw/zinc/38/05/41/309380541.db2.gz YQJJFMMATBMVGG-YLJXDBKYSA-N 3 1 329.532 3.394 20 0 EGADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423029042 309381762 /nfs/dbraw/zinc/38/17/62/309381762.db2.gz HMHLZEBGGVGIEY-BVOGOJNSSA-N 3 1 329.532 3.394 20 0 EGADMP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423046978 309382771 /nfs/dbraw/zinc/38/27/71/309382771.db2.gz GKKQZZQYGYSYEF-GUDVDZBRSA-N 2 1 328.456 3.030 20 0 EGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423050762 309383285 /nfs/dbraw/zinc/38/32/85/309383285.db2.gz LYYWVMVQJHZYPW-QRWLVFNGSA-N 2 1 339.458 3.408 20 0 EGADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000423065469 309384156 /nfs/dbraw/zinc/38/41/56/309384156.db2.gz UMYHPLUMRLUANL-GXRSIYKFSA-N 2 1 341.543 3.407 20 0 EGADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000423065469 309384157 /nfs/dbraw/zinc/38/41/57/309384157.db2.gz UMYHPLUMRLUANL-GXRSIYKFSA-N 2 1 341.543 3.407 20 0 EGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423083392 309384966 /nfs/dbraw/zinc/38/49/66/309384966.db2.gz FZCVSNZKWLUROY-YUXAGFNASA-N 2 1 337.511 3.057 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccncc1OCC(F)F ZINC000423098081 309385971 /nfs/dbraw/zinc/38/59/71/309385971.db2.gz KABTYAAYZAGMFQ-HIFRSBDPSA-N 2 1 327.419 3.126 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423109179 309386291 /nfs/dbraw/zinc/38/62/91/309386291.db2.gz UHPNFNYTBFTSMR-HIFRSBDPSA-N 2 1 345.409 3.423 20 0 EGADMP CC(C)c1nnc(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)s1 ZINC000423133196 309387589 /nfs/dbraw/zinc/38/75/89/309387589.db2.gz PWXFPIFGOOJFQE-HOTGVXAUSA-N 2 1 330.501 3.287 20 0 EGADMP CC(C)c1nnc(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)s1 ZINC000423133201 309387604 /nfs/dbraw/zinc/38/76/04/309387604.db2.gz PWXFPIFGOOJFQE-JKSUJKDBSA-N 2 1 330.501 3.287 20 0 EGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000423262589 309392869 /nfs/dbraw/zinc/39/28/69/309392869.db2.gz MULDZGRZUBOFBI-HNAYVOBHSA-N 2 1 329.488 3.372 20 0 EGADMP C[C@H](N[C@H](C[NH3+])C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423268549 309393217 /nfs/dbraw/zinc/39/32/17/309393217.db2.gz UUBIGEZXTBPFDF-IOMROCGXSA-N 2 1 329.532 3.394 20 0 EGADMP Cc1c([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])nnn1-c1ccc(Cl)cc1 ZINC000423270526 309393283 /nfs/dbraw/zinc/39/32/83/309393283.db2.gz GNUKLCYRPRAGEY-JDFRZJQESA-N 2 1 347.894 3.397 20 0 EGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423294208 309394284 /nfs/dbraw/zinc/39/42/84/309394284.db2.gz BIPPKZDUMJVAEU-HZPDHXFCSA-N 2 1 325.294 3.414 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000423319382 309394969 /nfs/dbraw/zinc/39/49/69/309394969.db2.gz FMXKEMKZWXUIAA-QAPCUYQASA-N 2 1 340.471 3.381 20 0 EGADMP C[C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000423337840 309395965 /nfs/dbraw/zinc/39/59/65/309395965.db2.gz UFHCMAMTTCPNQH-SOLBZPMBSA-N 2 1 331.504 3.092 20 0 EGADMP CC(C)[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H](C)[NH3+] ZINC000423345147 309396366 /nfs/dbraw/zinc/39/63/66/309396366.db2.gz XMMKHMOBGAMRJW-GJYPPUQNSA-N 2 1 331.504 3.476 20 0 EGADMP COCC1CCC([NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000423369289 309397301 /nfs/dbraw/zinc/39/73/01/309397301.db2.gz ODBXJFHSVXZCIU-MUXCANPHSA-N 2 1 338.442 3.205 20 0 EGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)[C@@H]1c1cccs1 ZINC000423426510 309399828 /nfs/dbraw/zinc/39/98/28/309399828.db2.gz PMAAFPBEDJPDKZ-DJIMGWMZSA-N 2 1 349.544 3.025 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449022997 310030095 /nfs/dbraw/zinc/03/00/95/310030095.db2.gz MJSDDULLJYNILU-LJQANCHMSA-N 2 1 327.472 3.035 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2ccc(F)cc2)n1 ZINC000449028671 310030969 /nfs/dbraw/zinc/03/09/69/310030969.db2.gz MISJPTCVWFKCQY-MRXNPFEDSA-N 2 1 342.462 3.144 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2ccc(F)cc2)n1 ZINC000449028671 310030970 /nfs/dbraw/zinc/03/09/70/310030970.db2.gz MISJPTCVWFKCQY-MRXNPFEDSA-N 2 1 342.462 3.144 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449105907 310037457 /nfs/dbraw/zinc/03/74/57/310037457.db2.gz FQSVCBKDUJCEJV-UHFFFAOYSA-N 2 1 345.244 3.292 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000449106598 310037460 /nfs/dbraw/zinc/03/74/60/310037460.db2.gz MPUVBPZESRPVLW-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000449106598 310037461 /nfs/dbraw/zinc/03/74/61/310037461.db2.gz MPUVBPZESRPVLW-GFCCVEGCSA-N 2 1 329.257 3.410 20 0 EGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000449123387 310038576 /nfs/dbraw/zinc/03/85/76/310038576.db2.gz CDRDDFZMKOAEIB-VQTJNVASSA-N 2 1 346.515 3.387 20 0 EGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000449123387 310038577 /nfs/dbraw/zinc/03/85/77/310038577.db2.gz CDRDDFZMKOAEIB-VQTJNVASSA-N 2 1 346.515 3.387 20 0 EGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccnn2C2CCCC2)[C@@H](C)C1 ZINC000449141348 310039891 /nfs/dbraw/zinc/03/98/91/310039891.db2.gz PUZAOQLJIJCJMT-PXNSSMCTSA-N 2 1 348.535 3.225 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccnn2C2CCCC2)[C@@H](C)C1 ZINC000449141348 310039892 /nfs/dbraw/zinc/03/98/92/310039892.db2.gz PUZAOQLJIJCJMT-PXNSSMCTSA-N 2 1 348.535 3.225 20 0 EGADMP COc1ccc(-n2cc(C[NH2+]CC[C@H](C)[NH+]3CCCCC3)cn2)cc1 ZINC000449242390 310047033 /nfs/dbraw/zinc/04/70/33/310047033.db2.gz XGIRAMUAIXRRDR-KRWDZBQOSA-N 2 1 342.487 3.235 20 0 EGADMP COc1ccc(-n2cc(C[NH2+]CC3(C[NH+](C)C)CCCC3)cn2)cc1 ZINC000449242317 310047061 /nfs/dbraw/zinc/04/70/61/310047061.db2.gz FKUVXIFFCPTGIK-UHFFFAOYSA-N 2 1 342.487 3.093 20 0 EGADMP CC1=CC[N@@H+](CCNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449241284 310047143 /nfs/dbraw/zinc/04/71/43/310047143.db2.gz AIGDYAYVGIENCP-HXUWFJFHSA-N 2 1 341.543 3.324 20 0 EGADMP CC1=CCN(CC[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449241284 310047144 /nfs/dbraw/zinc/04/71/44/310047144.db2.gz AIGDYAYVGIENCP-HXUWFJFHSA-N 2 1 341.543 3.324 20 0 EGADMP CC(C)(CO)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000449409462 310059497 /nfs/dbraw/zinc/05/94/97/310059497.db2.gz UASMZDJDADBOCU-VAMGGRTRSA-N 2 1 330.516 3.285 20 0 EGADMP CCN(C)C(=O)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(C)C ZINC000449439231 310062260 /nfs/dbraw/zinc/06/22/60/310062260.db2.gz HBXBMXFNABAPOK-NEWSRXKRSA-N 2 1 337.552 3.122 20 0 EGADMP CCO[C@@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](CC)CC2)C[C@@H]1C ZINC000449501812 310067300 /nfs/dbraw/zinc/06/73/00/310067300.db2.gz WEQLXXQQLZXHSU-GHTZIAJQSA-N 2 1 345.531 3.075 20 0 EGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CCC3CCCCC3)C2)CC1 ZINC000449512384 310068109 /nfs/dbraw/zinc/06/81/09/310068109.db2.gz ZOXKIRALHHNFJH-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CCC3CCCCC3)C2)CC1 ZINC000449512384 310068110 /nfs/dbraw/zinc/06/81/10/310068110.db2.gz ZOXKIRALHHNFJH-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CCC3CCCCC3)C2)CC1 ZINC000449512384 310068111 /nfs/dbraw/zinc/06/81/11/310068111.db2.gz ZOXKIRALHHNFJH-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CCC3CCCCC3)C2)CC1 ZINC000449512384 310068112 /nfs/dbraw/zinc/06/81/12/310068112.db2.gz ZOXKIRALHHNFJH-NRFANRHFSA-N 2 1 349.563 3.223 20 0 EGADMP Cc1ncc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)n1-c1ccccc1 ZINC000449555477 310071529 /nfs/dbraw/zinc/07/15/29/310071529.db2.gz QJZMLKYAUHKXNU-FUHIMQAGSA-N 2 1 325.456 3.164 20 0 EGADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CCC1 ZINC000449738991 310083390 /nfs/dbraw/zinc/08/33/90/310083390.db2.gz HRRPJBISWQDTDP-XRXFAXGQSA-N 2 1 328.500 3.038 20 0 EGADMP CC1(C)CCC[N@H+]1CCNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449783255 310087046 /nfs/dbraw/zinc/08/70/46/310087046.db2.gz NRLZRDRUTGKZPG-UHFFFAOYSA-N 2 1 347.522 3.297 20 0 EGADMP CC[NH+](CC)CCOC1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450449516 310123296 /nfs/dbraw/zinc/12/32/96/310123296.db2.gz FFJOWRASGGSOMJ-IBGZPJMESA-N 2 1 339.568 3.072 20 0 EGADMP CC[NH+](CC)CCOC1CC[NH+](C[C@@H]2CCCCN2C(C)C)CC1 ZINC000450449516 310123297 /nfs/dbraw/zinc/12/32/97/310123297.db2.gz FFJOWRASGGSOMJ-IBGZPJMESA-N 2 1 339.568 3.072 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CC[NH+](C)Cc2ccccc2)C1 ZINC000450549519 310129598 /nfs/dbraw/zinc/12/95/98/310129598.db2.gz BWHKFQDNJXRETG-SVFBPWRDSA-N 2 1 329.532 3.456 20 0 EGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(CC[N@H+](C)Cc2ccccc2)C1 ZINC000450549519 310129599 /nfs/dbraw/zinc/12/95/99/310129599.db2.gz BWHKFQDNJXRETG-SVFBPWRDSA-N 2 1 329.532 3.456 20 0 EGADMP C[C@H]([NH2+]CCN(C)Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450723340 310139350 /nfs/dbraw/zinc/13/93/50/310139350.db2.gz COIQIJSFHXZVCD-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](NCC[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000450723340 310139351 /nfs/dbraw/zinc/13/93/51/310139351.db2.gz COIQIJSFHXZVCD-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H](NCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000450723340 310139352 /nfs/dbraw/zinc/13/93/52/310139352.db2.gz COIQIJSFHXZVCD-AZUAARDMSA-N 2 1 329.532 3.361 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000450940654 310151016 /nfs/dbraw/zinc/15/10/16/310151016.db2.gz MCCBGNCWXTUJSM-LEWJYISDSA-N 2 1 329.532 3.108 20 0 EGADMP CO[C@H]1CC[NH+](CC(C)C[N@@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451568538 310187022 /nfs/dbraw/zinc/18/70/22/310187022.db2.gz RULGBCUDBHJUTK-ROUUACIJSA-N 2 1 340.552 3.116 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452125657 310213662 /nfs/dbraw/zinc/21/36/62/310213662.db2.gz YUPXPWRKZSBCDY-UHFFFAOYSA-N 2 1 346.441 3.320 20 0 EGADMP Cc1[nH+]ccn1CCCC[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452125657 310213663 /nfs/dbraw/zinc/21/36/63/310213663.db2.gz YUPXPWRKZSBCDY-UHFFFAOYSA-N 2 1 346.441 3.320 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](NCC[NH+]3CCCC3)[C@H]3CCC[C@H]32)cc1 ZINC000453074407 310256250 /nfs/dbraw/zinc/25/62/50/310256250.db2.gz GHJMKKPMCFWYSI-QHAWAJNXSA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCN3CCCC3)[C@H]3CCC[C@H]32)cc1 ZINC000453074407 310256251 /nfs/dbraw/zinc/25/62/51/310256251.db2.gz GHJMKKPMCFWYSI-QHAWAJNXSA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCN3CCCC3)[C@H]3CCC[C@H]32)cc1 ZINC000453074407 310256252 /nfs/dbraw/zinc/25/62/52/310256252.db2.gz GHJMKKPMCFWYSI-QHAWAJNXSA-N 2 1 327.516 3.115 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3CCOCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453077668 310256466 /nfs/dbraw/zinc/25/64/66/310256466.db2.gz BIFZDPFRMNYKAA-HKBOAZHASA-N 2 1 328.500 3.446 20 0 EGADMP OCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCC1 ZINC000453187806 310263117 /nfs/dbraw/zinc/26/31/17/310263117.db2.gz AOBFWUQSWQICDC-VAMGGRTRSA-N 2 1 328.500 3.182 20 0 EGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453200043 310263724 /nfs/dbraw/zinc/26/37/24/310263724.db2.gz UMLVSXFXZHISQE-LEWJYISDSA-N 2 1 328.500 3.312 20 0 EGADMP C[C@@H](NCC[N@@H+]1CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453396881 310274871 /nfs/dbraw/zinc/27/48/71/310274871.db2.gz KZAPGJPCPNAERX-QGZVFWFLSA-N 2 1 333.520 3.152 20 0 EGADMP C[C@@H](NCC[N@H+]1CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453396881 310274872 /nfs/dbraw/zinc/27/48/72/310274872.db2.gz KZAPGJPCPNAERX-QGZVFWFLSA-N 2 1 333.520 3.152 20 0 EGADMP Cc1ccc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)nc1 ZINC000453413967 310275926 /nfs/dbraw/zinc/27/59/26/310275926.db2.gz IJGZBKHAYWLEFP-UHFFFAOYSA-N 2 1 341.474 3.368 20 0 EGADMP COc1ccc(Br)cc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453595127 310283546 /nfs/dbraw/zinc/28/35/46/310283546.db2.gz DMYGMWSEIQYBHW-UHFFFAOYSA-N 2 1 341.293 3.422 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000454308786 310302641 /nfs/dbraw/zinc/30/26/41/310302641.db2.gz BPEDNDHEKXKIEE-KXBFYZLASA-N 2 1 344.503 3.231 20 0 EGADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455843962 310379192 /nfs/dbraw/zinc/37/91/92/310379192.db2.gz GUVFTHYDCNJTMI-HKUYNNGSSA-N 2 1 344.503 3.184 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455872779 310380546 /nfs/dbraw/zinc/38/05/46/310380546.db2.gz ZDLYBKMQGUOOKU-KBXCAEBGSA-N 2 1 332.492 3.086 20 0 EGADMP CC[C@H](C(=O)NC(C)(C)CCC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000456176553 310392093 /nfs/dbraw/zinc/39/20/93/310392093.db2.gz WMIOXYKSYVBLEB-GOSISDBHSA-N 2 1 333.520 3.134 20 0 EGADMP C[C@H](NC(=O)c1ccccc1C[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000487013218 311006896 /nfs/dbraw/zinc/00/68/96/311006896.db2.gz CFVWZIZGTKQCDL-DLBZAZTESA-N 2 1 343.515 3.131 20 0 EGADMP CCCOc1c(Cl)cc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1OC ZINC000491548654 311184094 /nfs/dbraw/zinc/18/40/94/311184094.db2.gz SIKKOSKHBNKGOV-ZDUSSCGKSA-N 2 1 328.884 3.425 20 0 EGADMP C[C@H](C[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C[NH+](C)C ZINC000491589740 311185901 /nfs/dbraw/zinc/18/59/01/311185901.db2.gz TZYYHYJHUMVGGG-CYBMUJFWSA-N 2 1 340.393 3.178 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000492213505 311227042 /nfs/dbraw/zinc/22/70/42/311227042.db2.gz BMPWYXPTJSXTEO-BBWFWOEESA-N 2 1 339.524 3.096 20 0 EGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000492694867 311281190 /nfs/dbraw/zinc/28/11/90/311281190.db2.gz FLIAXOJTDDWLNM-IXDOHACOSA-N 2 1 339.524 3.144 20 0 EGADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000507954629 312085652 /nfs/dbraw/zinc/08/56/52/312085652.db2.gz WWUXRYSRIUSYBO-HZEGPAAWSA-N 2 1 330.516 3.285 20 0 EGADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000507954629 312085654 /nfs/dbraw/zinc/08/56/54/312085654.db2.gz WWUXRYSRIUSYBO-HZEGPAAWSA-N 2 1 330.516 3.285 20 0 EGADMP C[C@@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000508191087 312090304 /nfs/dbraw/zinc/09/03/04/312090304.db2.gz ARNLJVHZEXINND-QRVBRYPASA-N 2 1 349.563 3.362 20 0 EGADMP CC[N@H+]1CCC[C@H](CN[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000508695111 312099618 /nfs/dbraw/zinc/09/96/18/312099618.db2.gz HMICMVCXSYWGNC-TYPHKJRUSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC[C@H](CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000508695111 312099621 /nfs/dbraw/zinc/09/96/21/312099621.db2.gz HMICMVCXSYWGNC-TYPHKJRUSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC[C@H](CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000508695111 312099624 /nfs/dbraw/zinc/09/96/24/312099624.db2.gz HMICMVCXSYWGNC-TYPHKJRUSA-N 3 1 329.532 3.219 20 0 EGADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000508695111 312099627 /nfs/dbraw/zinc/09/96/27/312099627.db2.gz HMICMVCXSYWGNC-TYPHKJRUSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000508695111 312099632 /nfs/dbraw/zinc/09/96/32/312099632.db2.gz HMICMVCXSYWGNC-TYPHKJRUSA-N 3 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000508695111 312099634 /nfs/dbraw/zinc/09/96/34/312099634.db2.gz HMICMVCXSYWGNC-TYPHKJRUSA-N 3 1 329.532 3.219 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccc(C3CCC3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000508878915 312104639 /nfs/dbraw/zinc/10/46/39/312104639.db2.gz OCONVWUASJRTJA-XMSQKQJNSA-N 2 1 341.543 3.412 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCCCO4)[C@H]3C2)cc1 ZINC000512620449 312190770 /nfs/dbraw/zinc/19/07/70/312190770.db2.gz QOIJPVBUILQNTE-WOZUAGRISA-N 2 1 328.500 3.446 20 0 EGADMP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000512648720 312190980 /nfs/dbraw/zinc/19/09/80/312190980.db2.gz OTPMQOVUVNERCF-MYGLTJDJSA-N 2 1 341.543 3.361 20 0 EGADMP CC[N@@H+]1CCC[C@H](N[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000512648720 312190983 /nfs/dbraw/zinc/19/09/83/312190983.db2.gz OTPMQOVUVNERCF-MYGLTJDJSA-N 2 1 341.543 3.361 20 0 EGADMP CC[N@H+]1CCC[C@H](N[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000512648720 312190986 /nfs/dbraw/zinc/19/09/86/312190986.db2.gz OTPMQOVUVNERCF-MYGLTJDJSA-N 2 1 341.543 3.361 20 0 EGADMP CC[NH+]1CCC[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000512648720 312190989 /nfs/dbraw/zinc/19/09/89/312190989.db2.gz OTPMQOVUVNERCF-MYGLTJDJSA-N 2 1 341.543 3.361 20 0 EGADMP CC[NH+]1CCC[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000512648720 312190991 /nfs/dbraw/zinc/19/09/91/312190991.db2.gz OTPMQOVUVNERCF-MYGLTJDJSA-N 2 1 341.543 3.361 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCC[NH+]4CCCCC4)[C@H]3C2)cc1 ZINC000512655422 312191579 /nfs/dbraw/zinc/19/15/79/312191579.db2.gz UJQAFTLMUQGPNS-FKBYEOEOSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCC[NH+]4CCCCC4)[C@H]3C2)cc1 ZINC000512655422 312191581 /nfs/dbraw/zinc/19/15/81/312191581.db2.gz UJQAFTLMUQGPNS-FKBYEOEOSA-N 2 1 341.543 3.363 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCN(C5CC5)C4)[C@@H]3C2)cc1 ZINC000512660016 312191638 /nfs/dbraw/zinc/19/16/38/312191638.db2.gz LDCOSHBKNHJLDW-PSBKLILYSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CC[NH+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000512660016 312191639 /nfs/dbraw/zinc/19/16/39/312191639.db2.gz LDCOSHBKNHJLDW-PSBKLILYSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CC[NH+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000512660016 312191640 /nfs/dbraw/zinc/19/16/40/312191640.db2.gz LDCOSHBKNHJLDW-PSBKLILYSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H](N[C@@H]4CC[N@@H+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000512660016 312191641 /nfs/dbraw/zinc/19/16/41/312191641.db2.gz LDCOSHBKNHJLDW-PSBKLILYSA-N 2 1 339.527 3.113 20 0 EGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H](N[C@@H]4CC[N@H+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000512660016 312191642 /nfs/dbraw/zinc/19/16/42/312191642.db2.gz LDCOSHBKNHJLDW-PSBKLILYSA-N 2 1 339.527 3.113 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000515385750 312280278 /nfs/dbraw/zinc/28/02/78/312280278.db2.gz ALVFIODBOZCESO-MISYRCLQSA-N 2 1 349.563 3.397 20 0 EGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000515832091 312299704 /nfs/dbraw/zinc/29/97/04/312299704.db2.gz JCESGGZYIAPMAV-MRXNPFEDSA-N 2 1 335.467 3.256 20 0 EGADMP Fc1cc(Cl)ccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530243348 313503910 /nfs/dbraw/zinc/50/39/10/313503910.db2.gz XBECQJQQZBLTTK-INIZCTEOSA-N 2 1 326.843 3.070 20 0 EGADMP C[N@H+]1CCCC[C@H]1CCN1CCN(c2nc3ccccc3s2)CC1 ZINC000535405883 314044617 /nfs/dbraw/zinc/04/46/17/314044617.db2.gz PEYZVRWJZOHHIY-INIZCTEOSA-N 2 1 344.528 3.293 20 0 EGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000536496869 314118068 /nfs/dbraw/zinc/11/80/68/314118068.db2.gz JVVUQIPHUGWKON-HKUYNNGSSA-N 2 1 336.907 3.400 20 0 EGADMP CC(C)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000536708015 314141147 /nfs/dbraw/zinc/14/11/47/314141147.db2.gz XIXVANDJVCVSSI-OAQYLSRUSA-N 2 1 329.532 3.410 20 0 EGADMP COc1cc(C)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000539065166 314293778 /nfs/dbraw/zinc/29/37/78/314293778.db2.gz PJKKFKSNDWRUHO-PWIZWCRZSA-N 2 1 346.515 3.422 20 0 EGADMP CC(C)[NH+]1CCN(c2cccc(N[C@H]3CC[N@@H+](C)[C@H](C)C3)c2)CC1 ZINC000539646389 314326532 /nfs/dbraw/zinc/32/65/32/314326532.db2.gz OBMKZBWJIQAGCM-MJGOQNOKSA-N 2 1 330.520 3.112 20 0 EGADMP Cc1cccc(NC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1C ZINC000547646868 314921271 /nfs/dbraw/zinc/92/12/71/314921271.db2.gz XDLLPPHUFVZKAE-UHFFFAOYSA-N 2 1 339.443 3.094 20 0 EGADMP C(C1CC1)[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@@H](CC4CC4)C3)COC2)C1 ZINC000550048558 315114336 /nfs/dbraw/zinc/11/43/36/315114336.db2.gz GFZNWIMJPQYKHS-PMACEKPBSA-N 2 1 332.532 3.247 20 0 EGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000551008322 315139610 /nfs/dbraw/zinc/13/96/10/315139610.db2.gz WMSMOUKCWPVUQY-HJNYFJLDSA-N 2 1 338.495 3.263 20 0 EGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000551008322 315139612 /nfs/dbraw/zinc/13/96/12/315139612.db2.gz WMSMOUKCWPVUQY-HJNYFJLDSA-N 2 1 338.495 3.263 20 0 EGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+]C2CCCCCC2)c1 ZINC000551430923 315154341 /nfs/dbraw/zinc/15/43/41/315154341.db2.gz MFZUTMCXHGMWNX-UHFFFAOYSA-N 2 1 334.504 3.456 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCCc2cncn2C)CC1)CC(C)C ZINC000563358408 316005834 /nfs/dbraw/zinc/00/58/34/316005834.db2.gz ZVCJHOXLDPQCTP-UHFFFAOYSA-N 2 1 334.552 3.433 20 0 EGADMP CC[N@H+](CCC1CC[NH+](CCCc2c[nH+]cn2C)CC1)CC(C)C ZINC000563358408 316005835 /nfs/dbraw/zinc/00/58/35/316005835.db2.gz ZVCJHOXLDPQCTP-UHFFFAOYSA-N 3 1 334.552 3.433 20 0 EGADMP CC[N@@H+](CCC1CC[NH+](CCCc2c[nH+]cn2C)CC1)CC(C)C ZINC000563358408 316005837 /nfs/dbraw/zinc/00/58/37/316005837.db2.gz ZVCJHOXLDPQCTP-UHFFFAOYSA-N 3 1 334.552 3.433 20 0 EGADMP CC[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1cccc(Cl)c1 ZINC000563805123 316071498 /nfs/dbraw/zinc/07/14/98/316071498.db2.gz XPMVZBRPXZBJPO-OAHLLOKOSA-N 2 1 333.867 3.166 20 0 EGADMP CC(C)OCC[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000563806142 316071811 /nfs/dbraw/zinc/07/18/11/316071811.db2.gz OMSCQQXCMWSXPQ-WIYYLYMNSA-N 2 1 348.531 3.184 20 0 EGADMP COc1sc(CNC[C@@H]2CC[N@H+](C(C)C)C2)cc1Br ZINC000564319819 316135202 /nfs/dbraw/zinc/13/52/02/316135202.db2.gz NRENLJIGVLGFKR-NSHDSACASA-N 2 1 347.322 3.339 20 0 EGADMP COc1sc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1Br ZINC000564319819 316135205 /nfs/dbraw/zinc/13/52/05/316135205.db2.gz NRENLJIGVLGFKR-NSHDSACASA-N 2 1 347.322 3.339 20 0 EGADMP COc1sc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1Br ZINC000564319819 316135209 /nfs/dbraw/zinc/13/52/09/316135209.db2.gz NRENLJIGVLGFKR-NSHDSACASA-N 2 1 347.322 3.339 20 0 EGADMP CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000564986571 316241995 /nfs/dbraw/zinc/24/19/95/316241995.db2.gz WOQGFBVGYIMJTB-QGZVFWFLSA-N 2 1 343.515 3.244 20 0 EGADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)Cc1ccccc1 ZINC000565357858 316313648 /nfs/dbraw/zinc/31/36/48/316313648.db2.gz ASDCUSYGTTYFNX-RTBURBONSA-N 2 1 344.524 3.153 20 0 EGADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)Cc1ccccc1 ZINC000565357858 316313653 /nfs/dbraw/zinc/31/36/53/316313653.db2.gz ASDCUSYGTTYFNX-RTBURBONSA-N 2 1 344.524 3.153 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000570642517 317086191 /nfs/dbraw/zinc/08/61/91/317086191.db2.gz VMLMYQFQSDTQBG-FRFSOERESA-N 2 1 344.421 3.244 20 0 EGADMP COCC1(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000571325841 317183356 /nfs/dbraw/zinc/18/33/56/317183356.db2.gz VCPNMMQMIHTJEY-VAMGGRTRSA-N 2 1 328.500 3.303 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc(F)ccc3F)CC2)C[C@H](C)O1 ZINC000171304248 323228610 /nfs/dbraw/zinc/22/86/10/323228610.db2.gz VQDSDIUJMJSRKG-GASCZTMLSA-N 2 1 338.442 3.286 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(F)ccc3F)CC2)C[C@H](C)O1 ZINC000171304248 323228614 /nfs/dbraw/zinc/22/86/14/323228614.db2.gz VQDSDIUJMJSRKG-GASCZTMLSA-N 2 1 338.442 3.286 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000177211454 323337621 /nfs/dbraw/zinc/33/76/21/323337621.db2.gz ZCEVFQUKIALOCQ-CYBMUJFWSA-N 2 1 329.282 3.068 20 0 EGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379676222 324241411 /nfs/dbraw/zinc/24/14/11/324241411.db2.gz YWEYUNKLCLJVGH-YTQUADARSA-N 2 1 345.531 3.180 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CCN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000385881894 324264635 /nfs/dbraw/zinc/26/46/35/324264635.db2.gz BVKLWVLHIHPCLA-BHIFYINESA-N 2 1 341.543 3.315 20 0 EGADMP C[NH+]1CCCC[C@@H]1CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000385881894 324264638 /nfs/dbraw/zinc/26/46/38/324264638.db2.gz BVKLWVLHIHPCLA-BHIFYINESA-N 2 1 341.543 3.315 20 0 EGADMP C[NH+]1CCCC[C@@H]1CCN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000385881894 324264640 /nfs/dbraw/zinc/26/46/40/324264640.db2.gz BVKLWVLHIHPCLA-BHIFYINESA-N 2 1 341.543 3.315 20 0 EGADMP C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386483752 324267835 /nfs/dbraw/zinc/26/78/35/324267835.db2.gz IUAOAMYNMGXKGU-IOMROCGXSA-N 2 1 336.479 3.490 20 0 EGADMP Clc1cccc(Cl)c1OCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386612150 324268914 /nfs/dbraw/zinc/26/89/14/324268914.db2.gz QZBXTCGCQNZNKI-BETUJISGSA-N 2 1 329.271 3.304 20 0 EGADMP CN(C(=O)C[C@@H]1CCCC[C@@H]1[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388579002 324276257 /nfs/dbraw/zinc/27/62/57/324276257.db2.gz FNVUXBSUYBQZDQ-UFYCRDLUSA-N 2 1 343.515 3.017 20 0 EGADMP Cc1ccc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000392130774 324288550 /nfs/dbraw/zinc/28/85/50/324288550.db2.gz GDVPDKLNYLGVBQ-QGZVFWFLSA-N 2 1 326.444 3.009 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000579022583 325052454 /nfs/dbraw/zinc/05/24/54/325052454.db2.gz GVWXKZFYJDSHQJ-LSDHHAIUSA-N 2 1 328.460 3.412 20 0 EGADMP C[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000579022583 325052458 /nfs/dbraw/zinc/05/24/58/325052458.db2.gz GVWXKZFYJDSHQJ-LSDHHAIUSA-N 2 1 328.460 3.412 20 0 EGADMP CO[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C12CCC2 ZINC000579556867 325125907 /nfs/dbraw/zinc/12/59/07/325125907.db2.gz YMSMVNGVAUELQV-ROUUACIJSA-N 2 1 347.503 3.051 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(O)CCC(C)(C)CC2)[C@H](C)C1 ZINC000579733399 325152992 /nfs/dbraw/zinc/15/29/92/325152992.db2.gz CEZNFWIJKRWXPL-MSOLQXFVSA-N 2 1 340.552 3.044 20 0 EGADMP CC(C)n1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nn1 ZINC000580118389 325205447 /nfs/dbraw/zinc/20/54/47/325205447.db2.gz DZKWDAWGRNQUAA-HKUYNNGSSA-N 2 1 341.503 3.249 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCCCC[NH2+]3)cc2)C1 ZINC000580314846 325233589 /nfs/dbraw/zinc/23/35/89/325233589.db2.gz KWEZNMQAXAXQBV-APWZRJJASA-N 2 1 329.488 3.389 20 0 EGADMP CC[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(Cl)cc1 ZINC000580422419 325248117 /nfs/dbraw/zinc/24/81/17/325248117.db2.gz GPJIWUGUKUFVSH-OAHLLOKOSA-N 2 1 333.867 3.166 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000580618608 325274022 /nfs/dbraw/zinc/27/40/22/325274022.db2.gz ALSFPQGVKMTXOH-OAHLLOKOSA-N 2 1 330.451 3.046 20 0 EGADMP Cc1cc(C)n(CC[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)n1 ZINC000581669779 325381467 /nfs/dbraw/zinc/38/14/67/325381467.db2.gz GWVBOLKEZWUVDI-GOSISDBHSA-N 2 1 346.544 3.324 20 0 EGADMP Cc1cc(C)n(CC[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)n1 ZINC000581669779 325381468 /nfs/dbraw/zinc/38/14/68/325381468.db2.gz GWVBOLKEZWUVDI-GOSISDBHSA-N 2 1 346.544 3.324 20 0 EGADMP Cc1cc(C)n(CC[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)n1 ZINC000581669779 325381470 /nfs/dbraw/zinc/38/14/70/325381470.db2.gz GWVBOLKEZWUVDI-GOSISDBHSA-N 2 1 346.544 3.324 20 0 EGADMP c1cn(CCC[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000183124997 455234061 /nfs/dbraw/zinc/23/40/61/455234061.db2.gz SFPINVGBBLVFFH-HBMCJLEFSA-N 2 1 338.499 3.164 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000430601481 458469792 /nfs/dbraw/zinc/46/97/92/458469792.db2.gz UMNKHSOOCHDIEF-VBQJREDUSA-N 2 1 339.911 3.211 20 0 EGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000430601481 458469795 /nfs/dbraw/zinc/46/97/95/458469795.db2.gz UMNKHSOOCHDIEF-VBQJREDUSA-N 2 1 339.911 3.211 20 0 EGADMP Cc1cc2ncn(C[C@H](O)C[N@H+]3CCC[C@H]3c3ccc[nH]3)c2cc1C ZINC000239667444 455262230 /nfs/dbraw/zinc/26/22/30/455262230.db2.gz BQCZRXKJZZQRRZ-APWZRJJASA-N 2 1 338.455 3.179 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000081283549 453856215 /nfs/dbraw/zinc/85/62/15/453856215.db2.gz NBPBVRBUSNKXOE-VQIMIIECSA-N 2 1 334.508 3.023 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[NH+](C)C3CCC3)cc2)C1 ZINC000075841014 453930688 /nfs/dbraw/zinc/93/06/88/453930688.db2.gz ZGRMKWGVEYVXGK-QGZVFWFLSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)C[N@H+](C)C3CCC3)cc2)C1 ZINC000075841014 453930690 /nfs/dbraw/zinc/93/06/90/453930690.db2.gz ZGRMKWGVEYVXGK-QGZVFWFLSA-N 2 1 343.515 3.019 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)C[N@@H+](C)C3CCC3)cc2)C1 ZINC000075841014 453930693 /nfs/dbraw/zinc/93/06/93/453930693.db2.gz ZGRMKWGVEYVXGK-QGZVFWFLSA-N 2 1 343.515 3.019 20 0 EGADMP CCCC[N@@H+](CC)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076463218 454002599 /nfs/dbraw/zinc/00/25/99/454002599.db2.gz VVSMSSJWZVOYAU-UHFFFAOYSA-N 2 1 331.504 3.021 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[NH+](C(C)C)CC2)cc1)C(C)C ZINC000068776849 454051953 /nfs/dbraw/zinc/05/19/53/454051953.db2.gz PYQWQKLMVGBLEM-UHFFFAOYSA-N 2 1 345.531 3.473 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1)C(C)C ZINC000068776849 454051956 /nfs/dbraw/zinc/05/19/56/454051956.db2.gz PYQWQKLMVGBLEM-UHFFFAOYSA-N 2 1 345.531 3.473 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@H+](C(C)C)CC2)cc1)C(C)C ZINC000068776849 454051958 /nfs/dbraw/zinc/05/19/58/454051958.db2.gz PYQWQKLMVGBLEM-UHFFFAOYSA-N 2 1 345.531 3.473 20 0 EGADMP COc1ccc([C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C(C)C)cc1 ZINC000245959211 455407549 /nfs/dbraw/zinc/40/75/49/455407549.db2.gz DCHQYZMKJDFYLC-ICSRJNTNSA-N 2 1 334.504 3.219 20 0 EGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000077249506 454081916 /nfs/dbraw/zinc/08/19/16/454081916.db2.gz WDDPKQBAQZJEDS-UHFFFAOYSA-N 2 1 326.488 3.405 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000077249506 454081920 /nfs/dbraw/zinc/08/19/20/454081920.db2.gz WDDPKQBAQZJEDS-UHFFFAOYSA-N 2 1 326.488 3.405 20 0 EGADMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccccc2SC)CC1 ZINC000077249530 454082325 /nfs/dbraw/zinc/08/23/25/454082325.db2.gz BUTLCZYXMDGLON-UHFFFAOYSA-N 2 1 335.517 3.153 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccccc2SC)CC1 ZINC000077249530 454082326 /nfs/dbraw/zinc/08/23/26/454082326.db2.gz BUTLCZYXMDGLON-UHFFFAOYSA-N 2 1 335.517 3.153 20 0 EGADMP C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000088699582 454117158 /nfs/dbraw/zinc/11/71/58/454117158.db2.gz WIVFCZVNKBJPKA-UWJYYQICSA-N 2 1 346.515 3.454 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000069754431 454141191 /nfs/dbraw/zinc/14/11/91/454141191.db2.gz UOYNQOPQVIPIQO-UHFFFAOYSA-N 2 1 336.439 3.345 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246045167 455418522 /nfs/dbraw/zinc/41/85/22/455418522.db2.gz XNWJQYQBKCFOPE-IRXDYDNUSA-N 2 1 339.524 3.096 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCCCC[NH+]1CCC[C@H](C)C1)c1ccccc1 ZINC000057912616 454156069 /nfs/dbraw/zinc/15/60/69/454156069.db2.gz CCTXFAOQIZSPGM-AZUAARDMSA-N 2 1 345.531 3.308 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000057912616 454156073 /nfs/dbraw/zinc/15/60/73/454156073.db2.gz CCTXFAOQIZSPGM-AZUAARDMSA-N 2 1 345.531 3.308 20 0 EGADMP CC[NH+](C)[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000057912616 454156076 /nfs/dbraw/zinc/15/60/76/454156076.db2.gz CCTXFAOQIZSPGM-AZUAARDMSA-N 2 1 345.531 3.308 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000089513709 454157944 /nfs/dbraw/zinc/15/79/44/454157944.db2.gz DVVCLHLKTDBPQZ-BXWFABGCSA-N 2 1 331.504 3.491 20 0 EGADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000089513709 454157946 /nfs/dbraw/zinc/15/79/46/454157946.db2.gz DVVCLHLKTDBPQZ-BXWFABGCSA-N 2 1 331.504 3.491 20 0 EGADMP CCN(C(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000130386147 454194159 /nfs/dbraw/zinc/19/41/59/454194159.db2.gz SYFRJUSHGGOQAV-INIZCTEOSA-N 2 1 334.508 3.083 20 0 EGADMP CCN(C(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000130386147 454194164 /nfs/dbraw/zinc/19/41/64/454194164.db2.gz SYFRJUSHGGOQAV-INIZCTEOSA-N 2 1 334.508 3.083 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)NC(C)(C)C ZINC000120235462 454276047 /nfs/dbraw/zinc/27/60/47/454276047.db2.gz VKLOGYLSFVAINL-IRXDYDNUSA-N 2 1 345.531 3.454 20 0 EGADMP FC(F)(F)Oc1ccccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090234734 454296985 /nfs/dbraw/zinc/29/69/85/454296985.db2.gz ZYPQUBDBLNGKMF-LSDHHAIUSA-N 2 1 328.378 3.344 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3cccnc3)CC2)C1 ZINC000090585483 454324079 /nfs/dbraw/zinc/32/40/79/454324079.db2.gz ULYMOUUTTYQLMM-FQEVSTJZSA-N 2 1 344.547 3.004 20 0 EGADMP Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718360 454333207 /nfs/dbraw/zinc/33/32/07/454333207.db2.gz DJVABRVBRHXRAA-GOSISDBHSA-N 2 1 329.488 3.131 20 0 EGADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CCCO1 ZINC000090857093 454346551 /nfs/dbraw/zinc/34/65/51/454346551.db2.gz JVUPUVSSZCKDND-PMACEKPBSA-N 2 1 334.479 3.380 20 0 EGADMP c1ccc2c(c1)CCSC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000133087925 454391352 /nfs/dbraw/zinc/39/13/52/454391352.db2.gz VIIIHNNMDOZNMP-JXFKEZNVSA-N 2 1 346.540 3.108 20 0 EGADMP CCC(CC)[C@H](CNC1CC[NH+](Cc2cccnc2)CC1)[NH+](C)C ZINC000133150665 454397743 /nfs/dbraw/zinc/39/77/43/454397743.db2.gz UIIWGYBTJWUTQI-FQEVSTJZSA-N 2 1 332.536 3.002 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C ZINC000121424992 454434766 /nfs/dbraw/zinc/43/47/66/454434766.db2.gz FITQDIOHEUWPTQ-ZBFHGGJFSA-N 2 1 328.460 3.143 20 0 EGADMP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1C ZINC000073895192 454499075 /nfs/dbraw/zinc/49/90/75/454499075.db2.gz VNAPCZPMULZJDG-FQEVSTJZSA-N 2 1 348.531 3.156 20 0 EGADMP Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1C ZINC000073895192 454499079 /nfs/dbraw/zinc/49/90/79/454499079.db2.gz VNAPCZPMULZJDG-FQEVSTJZSA-N 2 1 348.531 3.156 20 0 EGADMP COc1cccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000048684192 454506837 /nfs/dbraw/zinc/50/68/37/454506837.db2.gz XWPSUKPUGRVLMV-UHFFFAOYSA-N 2 1 328.460 3.048 20 0 EGADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]CC3CCCCC3)c2)C1 ZINC000122483929 454538743 /nfs/dbraw/zinc/53/87/43/454538743.db2.gz ARTIQGJNLTZELG-FQEVSTJZSA-N 2 1 343.515 3.054 20 0 EGADMP CC(C)[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000104204933 454577821 /nfs/dbraw/zinc/57/78/21/454577821.db2.gz UWBRMWWJZQEZHI-IEBWSBKVSA-N 2 1 347.503 3.043 20 0 EGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3c(F)cccc3F)CC2)C[C@H](C)O1 ZINC000092587559 454591401 /nfs/dbraw/zinc/59/14/01/454591401.db2.gz LOMUGRQMOHKVLW-GASCZTMLSA-N 2 1 338.442 3.286 20 0 EGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3c(F)cccc3F)CC2)C[C@H](C)O1 ZINC000092587559 454591404 /nfs/dbraw/zinc/59/14/04/454591404.db2.gz LOMUGRQMOHKVLW-GASCZTMLSA-N 2 1 338.442 3.286 20 0 EGADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123554043 454651709 /nfs/dbraw/zinc/65/17/09/454651709.db2.gz NVJOBGFVNORPKW-DLBZAZTESA-N 2 1 340.471 3.010 20 0 EGADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123554043 454651718 /nfs/dbraw/zinc/65/17/18/454651718.db2.gz NVJOBGFVNORPKW-DLBZAZTESA-N 2 1 340.471 3.010 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccccc2C)CC1 ZINC000052209233 454662234 /nfs/dbraw/zinc/66/22/34/454662234.db2.gz YUASHYQVVOWIQZ-HXUWFJFHSA-N 2 1 348.531 3.179 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C(C)(C)C)s3)C2)CC1 ZINC000093133126 454686402 /nfs/dbraw/zinc/68/64/02/454686402.db2.gz TVILQCWXZZKPGL-MRXNPFEDSA-N 2 1 335.561 3.257 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000161600968 454706745 /nfs/dbraw/zinc/70/67/45/454706745.db2.gz BXXXMZCXHPLIPX-CQSZACIVSA-N 2 1 329.488 3.441 20 0 EGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2scnc2C)CC1 ZINC000093769476 454735439 /nfs/dbraw/zinc/73/54/39/454735439.db2.gz LLPCCBKIQLUGEH-UHFFFAOYSA-N 2 1 325.522 3.022 20 0 EGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)c(Cl)c1 ZINC000124462496 454736347 /nfs/dbraw/zinc/73/63/47/454736347.db2.gz QPFZTMZXOIMQOY-CQSZACIVSA-N 2 1 341.902 3.403 20 0 EGADMP COc1ccccc1C[N@H+](CCCn1cc[nH+]c1C)C[C@H]1CCCO1 ZINC000136364069 454738180 /nfs/dbraw/zinc/73/81/80/454738180.db2.gz PNLZTZVGBNXULF-LJQANCHMSA-N 2 1 343.471 3.271 20 0 EGADMP COc1ccccc1C[N@@H+](CCCn1cc[nH+]c1C)C[C@H]1CCCO1 ZINC000136364069 454738184 /nfs/dbraw/zinc/73/81/84/454738184.db2.gz PNLZTZVGBNXULF-LJQANCHMSA-N 2 1 343.471 3.271 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000093844520 454739435 /nfs/dbraw/zinc/73/94/35/454739435.db2.gz DJJMCXAYFYJECB-QGZVFWFLSA-N 2 1 341.503 3.206 20 0 EGADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000162162173 454755992 /nfs/dbraw/zinc/75/59/92/454755992.db2.gz NXKAEOKHZSBADE-HXUWFJFHSA-N 2 1 338.499 3.360 20 0 EGADMP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CCC[NH+]3CCCCC3)ccc2NC1=O ZINC000162400538 454772182 /nfs/dbraw/zinc/77/21/82/454772182.db2.gz NCWJAANLZHIZAF-QAPCUYQASA-N 2 1 345.487 3.323 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000635011834 460655824 /nfs/dbraw/zinc/65/58/24/460655824.db2.gz IAMFJGWPAKNXHB-DOIPELPJSA-N 2 1 327.516 3.080 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000635011834 460655828 /nfs/dbraw/zinc/65/58/28/460655828.db2.gz IAMFJGWPAKNXHB-DOIPELPJSA-N 2 1 327.516 3.080 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cncc(F)c1 ZINC000182227934 455466428 /nfs/dbraw/zinc/46/64/28/455466428.db2.gz YDJAKQNWKLCFST-MGPUTAFESA-N 2 1 343.446 3.028 20 0 EGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000126033869 454865495 /nfs/dbraw/zinc/86/54/95/454865495.db2.gz ZHKYDUQUGNPVSB-KXBFYZLASA-N 2 1 329.488 3.245 20 0 EGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000126033869 454865498 /nfs/dbraw/zinc/86/54/98/454865498.db2.gz ZHKYDUQUGNPVSB-KXBFYZLASA-N 2 1 329.488 3.245 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@H]1CCOC1 ZINC000164494536 454882847 /nfs/dbraw/zinc/88/28/47/454882847.db2.gz SOGUKHRWHSKDFA-LPHOPBHVSA-N 2 1 328.456 3.426 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126650946 454907882 /nfs/dbraw/zinc/90/78/82/454907882.db2.gz MYZFVNPXSOEYEV-WOJBJXKFSA-N 2 1 338.499 3.265 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126650946 454907886 /nfs/dbraw/zinc/90/78/86/454907886.db2.gz MYZFVNPXSOEYEV-WOJBJXKFSA-N 2 1 338.499 3.265 20 0 EGADMP CC1CCC(Oc2cc(CN[C@H]3CC[N@@H+](C)C[C@@H]3C)ccn2)CC1 ZINC000168147549 454925047 /nfs/dbraw/zinc/92/50/47/454925047.db2.gz IBWMRSBQFLDAEA-JZRYZNKLSA-N 2 1 331.504 3.469 20 0 EGADMP CC1CCC(Oc2cc(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)ccn2)CC1 ZINC000168147549 454925052 /nfs/dbraw/zinc/92/50/52/454925052.db2.gz IBWMRSBQFLDAEA-JZRYZNKLSA-N 2 1 331.504 3.469 20 0 EGADMP CC1CCC(Oc2cc(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)ccn2)CC1 ZINC000168147549 454925054 /nfs/dbraw/zinc/92/50/54/454925054.db2.gz IBWMRSBQFLDAEA-JZRYZNKLSA-N 2 1 331.504 3.469 20 0 EGADMP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126903398 454925321 /nfs/dbraw/zinc/92/53/21/454925321.db2.gz ZGWHMDRKWCLOIG-YJBOKZPZSA-N 2 1 344.528 3.361 20 0 EGADMP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126903398 454925325 /nfs/dbraw/zinc/92/53/25/454925325.db2.gz ZGWHMDRKWCLOIG-YJBOKZPZSA-N 2 1 344.528 3.361 20 0 EGADMP Cc1cc2cc([C@H](C)[NH2+][C@@H](C)CN3CC[NH+](C)CC3)oc2cc1C ZINC000154929753 454944158 /nfs/dbraw/zinc/94/41/58/454944158.db2.gz RXRCUGALXSNCCX-IRXDYDNUSA-N 2 1 329.488 3.336 20 0 EGADMP Cc1nnc([C@@H]2Cc3ccccc3CN2CCCn2cc[nH+]c2C)o1 ZINC000127310009 454952747 /nfs/dbraw/zinc/95/27/47/454952747.db2.gz ZHMSBRDXTOQPLE-SFHVURJKSA-N 2 1 337.427 3.073 20 0 EGADMP CC(C)COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000151370290 454975931 /nfs/dbraw/zinc/97/59/31/454975931.db2.gz DDCBQCAIALOEHM-KRWDZBQOSA-N 2 1 334.504 3.219 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000155670991 455029179 /nfs/dbraw/zinc/02/91/79/455029179.db2.gz ZGAUGDQTOKQJIA-XLIONFOSSA-N 2 1 329.532 3.143 20 0 EGADMP CC[N@H+]1CC[C@H](NCC(C)(C)[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000155670991 455029187 /nfs/dbraw/zinc/02/91/87/455029187.db2.gz ZGAUGDQTOKQJIA-XLIONFOSSA-N 2 1 329.532 3.143 20 0 EGADMP CC[NH+]1CC[C@H](NCC(C)(C)[N@@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000155670991 455029191 /nfs/dbraw/zinc/02/91/91/455029191.db2.gz ZGAUGDQTOKQJIA-XLIONFOSSA-N 2 1 329.532 3.143 20 0 EGADMP CC[NH+]1CC[C@H](NCC(C)(C)[N@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000155670991 455029195 /nfs/dbraw/zinc/02/91/95/455029195.db2.gz ZGAUGDQTOKQJIA-XLIONFOSSA-N 2 1 329.532 3.143 20 0 EGADMP CCC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(OC)cc1 ZINC000128265498 455040748 /nfs/dbraw/zinc/04/07/48/455040748.db2.gz BRAXHEKXUCQNSH-FQEVSTJZSA-N 2 1 333.520 3.154 20 0 EGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128588895 455070576 /nfs/dbraw/zinc/07/05/76/455070576.db2.gz IWSQYZMIJHZUAC-HNNXBMFYSA-N 2 1 339.911 3.027 20 0 EGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000129062479 455097056 /nfs/dbraw/zinc/09/70/56/455097056.db2.gz VJZUPKAGDKLCCL-GHMZBOCLSA-N 2 1 330.259 3.134 20 0 EGADMP C[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)C[C@@H]1CCC[NH+](C)C1 ZINC000152339083 455104355 /nfs/dbraw/zinc/10/43/55/455104355.db2.gz KSHRUXOPTWLPSV-CQSZACIVSA-N 2 1 348.878 3.206 20 0 EGADMP C[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)C[C@@H]1CCC[NH+](C)C1 ZINC000152339083 455104361 /nfs/dbraw/zinc/10/43/61/455104361.db2.gz KSHRUXOPTWLPSV-CQSZACIVSA-N 2 1 348.878 3.206 20 0 EGADMP C[NH+](CCc1nc(-c2cccc(Cl)c2)no1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152339083 455104365 /nfs/dbraw/zinc/10/43/65/455104365.db2.gz KSHRUXOPTWLPSV-CQSZACIVSA-N 2 1 348.878 3.206 20 0 EGADMP C[NH+](CCc1nc(-c2cccc(Cl)c2)no1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152339083 455104372 /nfs/dbraw/zinc/10/43/72/455104372.db2.gz KSHRUXOPTWLPSV-CQSZACIVSA-N 2 1 348.878 3.206 20 0 EGADMP CSc1cccc(NC(=O)[C@@H](C)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000152370792 455108543 /nfs/dbraw/zinc/10/85/43/455108543.db2.gz FVBKTFVNWANHJA-HUUCEWRRSA-N 2 1 335.517 3.009 20 0 EGADMP CCO[C@@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@H](OCC)C2)C1 ZINC000119029744 455121382 /nfs/dbraw/zinc/12/13/82/455121382.db2.gz CEQXIKLOXRKGBV-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP CCO[C@@H]1CCC[N@@H+](CCCCC[NH+]2CCC[C@H](OCC)C2)C1 ZINC000119029744 455121385 /nfs/dbraw/zinc/12/13/85/455121385.db2.gz CEQXIKLOXRKGBV-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP CCO[C@@H]1CCC[N@H+](CCCCC[NH+]2CCC[C@H](OCC)C2)C1 ZINC000119029744 455121390 /nfs/dbraw/zinc/12/13/90/455121390.db2.gz CEQXIKLOXRKGBV-KDURUIRLSA-N 2 1 326.525 3.159 20 0 EGADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000152462949 455122985 /nfs/dbraw/zinc/12/29/85/455122985.db2.gz XTRSMQIELDKZDK-OLZOCXBDSA-N 2 1 338.879 3.492 20 0 EGADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000152462949 455122989 /nfs/dbraw/zinc/12/29/89/455122989.db2.gz XTRSMQIELDKZDK-OLZOCXBDSA-N 2 1 338.879 3.492 20 0 EGADMP CN(CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152489503 455127006 /nfs/dbraw/zinc/12/70/06/455127006.db2.gz DNGUADCFBLELEV-GFCCVEGCSA-N 2 1 344.286 3.206 20 0 EGADMP CC(C)[C@@H](CSc1ccccc1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000180212108 455148645 /nfs/dbraw/zinc/14/86/45/455148645.db2.gz XEJDMOGBFWSKLF-LJQANCHMSA-N 2 1 336.545 3.240 20 0 EGADMP O=C(CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccccc1F ZINC000172575407 455162476 /nfs/dbraw/zinc/16/24/76/455162476.db2.gz JMLLOONUMKXEOJ-INIZCTEOSA-N 2 1 333.451 3.105 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000182805890 455167995 /nfs/dbraw/zinc/16/79/95/455167995.db2.gz ZMCGOAOGXBRJNE-GPMSIDNRSA-N 2 1 333.545 3.376 20 0 EGADMP Cn1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(-c2ccccc2)n1 ZINC000180439745 455169888 /nfs/dbraw/zinc/16/98/88/455169888.db2.gz HLMUGWHRFRVWMK-LJQANCHMSA-N 2 1 326.488 3.393 20 0 EGADMP Cn1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(-c2ccccc2)n1 ZINC000180439745 455169891 /nfs/dbraw/zinc/16/98/91/455169891.db2.gz HLMUGWHRFRVWMK-LJQANCHMSA-N 2 1 326.488 3.393 20 0 EGADMP Cn1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(-c2ccccc2)n1 ZINC000180439745 455169896 /nfs/dbraw/zinc/16/98/96/455169896.db2.gz HLMUGWHRFRVWMK-LJQANCHMSA-N 2 1 326.488 3.393 20 0 EGADMP Cn1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(-c2ccccc2)n1 ZINC000180439745 455169899 /nfs/dbraw/zinc/16/98/99/455169899.db2.gz HLMUGWHRFRVWMK-LJQANCHMSA-N 2 1 326.488 3.393 20 0 EGADMP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182824013 455172558 /nfs/dbraw/zinc/17/25/58/455172558.db2.gz MMVYPVXLEVAAER-ILZDJORESA-N 2 1 343.515 3.059 20 0 EGADMP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182824013 455172563 /nfs/dbraw/zinc/17/25/63/455172563.db2.gz MMVYPVXLEVAAER-ILZDJORESA-N 2 1 343.515 3.059 20 0 EGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000182834453 455174640 /nfs/dbraw/zinc/17/46/40/455174640.db2.gz XKQRNLQZKLDKNL-FQEVSTJZSA-N 2 1 333.495 3.066 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2ccccc2)n1 ZINC000180471040 455176508 /nfs/dbraw/zinc/17/65/08/455176508.db2.gz IVOHKMXGUOWKHJ-SFHVURJKSA-N 2 1 338.499 3.395 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2ccccc2)n1 ZINC000180471040 455176509 /nfs/dbraw/zinc/17/65/09/455176509.db2.gz IVOHKMXGUOWKHJ-SFHVURJKSA-N 2 1 338.499 3.395 20 0 EGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000173616203 455316700 /nfs/dbraw/zinc/31/67/00/455316700.db2.gz ISLIZUYGOPVZMQ-IRXDYDNUSA-N 2 1 345.531 3.277 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000245562760 455331180 /nfs/dbraw/zinc/33/11/80/455331180.db2.gz PICGCFLWGCWEEL-XLIONFOSSA-N 2 1 345.531 3.216 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](CCOCC4CC4)CC[C@@H]32)cc1 ZINC000159263477 455365237 /nfs/dbraw/zinc/36/52/37/455365237.db2.gz IXWLQAQGPLHNPY-SFTDATJTSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CCOCC4CC4)CC[C@@H]32)cc1 ZINC000159263477 455365241 /nfs/dbraw/zinc/36/52/41/455365241.db2.gz IXWLQAQGPLHNPY-SFTDATJTSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CCOCC4CC4)CC[C@@H]32)cc1 ZINC000159263477 455365246 /nfs/dbraw/zinc/36/52/46/455365246.db2.gz IXWLQAQGPLHNPY-SFTDATJTSA-N 2 1 328.500 3.400 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CCOCC4CC4)CC[C@@H]32)cc1 ZINC000159263477 455365248 /nfs/dbraw/zinc/36/52/48/455365248.db2.gz IXWLQAQGPLHNPY-SFTDATJTSA-N 2 1 328.500 3.400 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCOCC(F)(F)F)cc1 ZINC000159357749 455371627 /nfs/dbraw/zinc/37/16/27/455371627.db2.gz YYFRHTMOHSQQOL-LBPRGKRZSA-N 2 1 327.350 3.410 20 0 EGADMP C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000246010064 455414252 /nfs/dbraw/zinc/41/42/52/455414252.db2.gz KXABKFKKNORICI-RBUKOAKNSA-N 2 1 349.563 3.364 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC(F)F ZINC000246173289 455440570 /nfs/dbraw/zinc/44/05/70/455440570.db2.gz MPWIOXGFOIVHJG-JSGCOSHPSA-N 2 1 328.403 3.259 20 0 EGADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC(F)F ZINC000246173289 455440571 /nfs/dbraw/zinc/44/05/71/455440571.db2.gz MPWIOXGFOIVHJG-JSGCOSHPSA-N 2 1 328.403 3.259 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000246285283 455463688 /nfs/dbraw/zinc/46/36/88/455463688.db2.gz BWQQTYGMJSXIJM-QZMQVMSPSA-N 2 1 336.545 3.443 20 0 EGADMP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1ccccc1 ZINC000246280922 455463935 /nfs/dbraw/zinc/46/39/35/455463935.db2.gz MNSSELGJCOKCQR-ZCNNSNEGSA-N 2 1 343.515 3.012 20 0 EGADMP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182266369 455476404 /nfs/dbraw/zinc/47/64/04/455476404.db2.gz VGZKJVPYRFQEAH-XUEUYAKLSA-N 2 1 336.479 3.276 20 0 EGADMP CN(CC[N@@H+](C)CCCc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000182272543 455477713 /nfs/dbraw/zinc/47/77/13/455477713.db2.gz GXGKVXATQSKZPD-UHFFFAOYSA-N 2 1 337.939 3.230 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@@H+](CCc2cccc(F)c2)C2CC2)CC1 ZINC000191494904 455491148 /nfs/dbraw/zinc/49/11/48/455491148.db2.gz DPFLDBHTHSNERF-UHFFFAOYSA-N 2 1 347.522 3.249 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccccn3)cs2)[C@@H](C)C1 ZINC000246466047 455494152 /nfs/dbraw/zinc/49/41/52/455494152.db2.gz QEGBJAZHRKMEHS-GJZGRUSLSA-N 2 1 330.501 3.068 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000246837387 455529104 /nfs/dbraw/zinc/52/91/04/455529104.db2.gz ASRVLQUWJNMUQD-SESVDKBCSA-N 2 1 329.532 3.452 20 0 EGADMP CC(C)COC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247036593 455548974 /nfs/dbraw/zinc/54/89/74/455548974.db2.gz NHJFHSQOBHIQIU-CEWLAPEOSA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247036593 455548975 /nfs/dbraw/zinc/54/89/75/455548975.db2.gz NHJFHSQOBHIQIU-CEWLAPEOSA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247036593 455548976 /nfs/dbraw/zinc/54/89/76/455548976.db2.gz NHJFHSQOBHIQIU-CEWLAPEOSA-N 2 1 348.531 3.005 20 0 EGADMP CC(C)COC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247036593 455548977 /nfs/dbraw/zinc/54/89/77/455548977.db2.gz NHJFHSQOBHIQIU-CEWLAPEOSA-N 2 1 348.531 3.005 20 0 EGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2sccc2C[NH+](C)C)c1 ZINC000268012672 455579452 /nfs/dbraw/zinc/57/94/52/455579452.db2.gz HEKZFOFPFGXPPM-UHFFFAOYSA-N 2 1 345.512 3.191 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668089 455592337 /nfs/dbraw/zinc/59/23/37/455592337.db2.gz ZORBVYMCKNAHPR-SJORKVTESA-N 2 1 347.547 3.163 20 0 EGADMP C[C@@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185668089 455592339 /nfs/dbraw/zinc/59/23/39/455592339.db2.gz ZORBVYMCKNAHPR-SJORKVTESA-N 2 1 347.547 3.163 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000185679823 455594818 /nfs/dbraw/zinc/59/48/18/455594818.db2.gz HKYKJJKFUDJETQ-ROUUACIJSA-N 2 1 343.515 3.485 20 0 EGADMP Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000185679823 455594822 /nfs/dbraw/zinc/59/48/22/455594822.db2.gz HKYKJJKFUDJETQ-ROUUACIJSA-N 2 1 343.515 3.485 20 0 EGADMP C[C@H](C(=O)Nc1cccc(Cl)c1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247439557 455601048 /nfs/dbraw/zinc/60/10/48/455601048.db2.gz ISCFOIMGFQQAPQ-CKEIUWERSA-N 2 1 346.862 3.447 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3c(O)cccc32)[C@@H](C)C1 ZINC000283939892 455613930 /nfs/dbraw/zinc/61/39/30/455613930.db2.gz FJCFFDZMFRUWLT-VDGAXYAQSA-N 2 1 346.515 3.496 20 0 EGADMP COC(=O)C1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000192444319 455617861 /nfs/dbraw/zinc/61/78/61/455617861.db2.gz FSPOWDHMLWGCHB-WQUXRXDGSA-N 2 1 344.499 3.361 20 0 EGADMP COC(=O)C1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000192444319 455617867 /nfs/dbraw/zinc/61/78/67/455617867.db2.gz FSPOWDHMLWGCHB-WQUXRXDGSA-N 2 1 344.499 3.361 20 0 EGADMP CC[N@H+]1CC[C@H](NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)[C@@H](C)C1 ZINC000247888402 455652640 /nfs/dbraw/zinc/65/26/40/455652640.db2.gz DPYPVYHFPYZKQV-IHPCNDPISA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2OC)N2CCCC2)[C@@H](C)C1 ZINC000247888402 455652643 /nfs/dbraw/zinc/65/26/43/455652643.db2.gz DPYPVYHFPYZKQV-IHPCNDPISA-N 2 1 345.531 3.152 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2OC)N2CCCC2)[C@@H](C)C1 ZINC000247888402 455652648 /nfs/dbraw/zinc/65/26/48/455652648.db2.gz DPYPVYHFPYZKQV-IHPCNDPISA-N 2 1 345.531 3.152 20 0 EGADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000271508790 455664849 /nfs/dbraw/zinc/66/48/49/455664849.db2.gz NLCZMUCYQIZIBI-CEXWTWQISA-N 2 1 348.462 3.007 20 0 EGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCOc2ncccc2F)cc1 ZINC000271513656 455667082 /nfs/dbraw/zinc/66/70/82/455667082.db2.gz OIRNUIWNQQHGOZ-AWEZNQCLSA-N 2 1 340.402 3.444 20 0 EGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3ccc(Cl)cc3C2)CC1 ZINC000192780973 455691077 /nfs/dbraw/zinc/69/10/77/455691077.db2.gz GJJVENKAXUROJV-UHFFFAOYSA-N 2 1 335.923 3.114 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(C)CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000248401575 455713607 /nfs/dbraw/zinc/71/36/07/455713607.db2.gz LXGUEJDYJWISKE-SLYNCCJLSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2c1cnn2C ZINC000268863118 455715289 /nfs/dbraw/zinc/71/52/89/455715289.db2.gz ZJWRIRYCPKLOHD-AHRSYUTCSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2c1cnn2C ZINC000268863118 455715294 /nfs/dbraw/zinc/71/52/94/455715294.db2.gz ZJWRIRYCPKLOHD-AHRSYUTCSA-N 2 1 338.499 3.298 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000271767381 455752649 /nfs/dbraw/zinc/75/26/49/455752649.db2.gz FGCOFACCIHXHEZ-DOTOQJQBSA-N 2 1 331.460 3.168 20 0 EGADMP CC[C@@H]1CCC[C@H](C)N1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000620577903 460693107 /nfs/dbraw/zinc/69/31/07/460693107.db2.gz QUKWDAYXMVAVGI-PKOBYXMFSA-N 2 1 349.563 3.362 20 0 EGADMP COc1cc([C@@H](C)NCC[C@@H]2CCCC[N@H+]2C)cc(OC)c1OC ZINC000271837801 455781468 /nfs/dbraw/zinc/78/14/68/455781468.db2.gz XYUOENULIYOFEY-ZBFHGGJFSA-N 2 1 336.476 3.237 20 0 EGADMP COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cc(OC)c1OC ZINC000271837801 455781474 /nfs/dbraw/zinc/78/14/74/455781474.db2.gz XYUOENULIYOFEY-ZBFHGGJFSA-N 2 1 336.476 3.237 20 0 EGADMP Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)on1 ZINC000269081635 455785401 /nfs/dbraw/zinc/78/54/01/455785401.db2.gz ZRYZTWUAJWTVHC-UYAOXDASSA-N 2 1 325.456 3.470 20 0 EGADMP O=C(Nc1cccc(F)c1)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000269132933 455795698 /nfs/dbraw/zinc/79/56/98/455795698.db2.gz NFRKCGXRWRNFEO-UHFFFAOYSA-N 2 1 347.478 3.352 20 0 EGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCCCCC[NH3+] ZINC000269278670 455826204 /nfs/dbraw/zinc/82/62/04/455826204.db2.gz YYFGAIIELABEIB-HXUWFJFHSA-N 2 1 345.531 3.266 20 0 EGADMP CCCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000253369993 455835132 /nfs/dbraw/zinc/83/51/32/455835132.db2.gz KVHXHUNSODZNFQ-OFQRWUPVSA-N 2 1 338.879 3.307 20 0 EGADMP CCCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000253369993 455835135 /nfs/dbraw/zinc/83/51/35/455835135.db2.gz KVHXHUNSODZNFQ-OFQRWUPVSA-N 2 1 338.879 3.307 20 0 EGADMP C[C@H]([NH2+]Cc1cccc2nccn21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272209589 455877879 /nfs/dbraw/zinc/87/78/79/455877879.db2.gz PYTVYUIQSNHJOH-PKOBYXMFSA-N 2 1 334.467 3.335 20 0 EGADMP Cc1cc(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000272251432 455892444 /nfs/dbraw/zinc/89/24/44/455892444.db2.gz CCDHTKWMZBOXRB-AEFFLSMTSA-N 2 1 338.455 3.422 20 0 EGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(O)c1 ZINC000194956697 455905442 /nfs/dbraw/zinc/90/54/42/455905442.db2.gz ILZYFTKMVNXSPS-OXJNMPFZSA-N 2 1 340.467 3.200 20 0 EGADMP CCn1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272329227 455915782 /nfs/dbraw/zinc/91/57/82/455915782.db2.gz MRQFGJBYVSDQNA-LNLFQRSKSA-N 2 1 326.488 3.464 20 0 EGADMP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000270272367 455917047 /nfs/dbraw/zinc/91/70/47/455917047.db2.gz WRPGZCIAKOWWRH-MRXNPFEDSA-N 2 1 338.517 3.007 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000272334086 455917983 /nfs/dbraw/zinc/91/79/83/455917983.db2.gz YJUWFKWVHPXCJW-LLGFUMIMSA-N 2 1 345.531 3.032 20 0 EGADMP C[C@H]1C[C@H](N(C)C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000261729134 455936998 /nfs/dbraw/zinc/93/69/98/455936998.db2.gz KSZXDHYDUGUBLQ-IJXRJRJASA-N 2 1 343.515 3.015 20 0 EGADMP Cc1nc2ccccc2n1C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000280292195 455938057 /nfs/dbraw/zinc/93/80/57/455938057.db2.gz UQXNHYXWLFDTJL-KRWDZBQOSA-N 2 1 326.488 3.466 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000187756479 455948424 /nfs/dbraw/zinc/94/84/24/455948424.db2.gz FDDVVAIZSRKZII-ZHCJQAHYSA-N 2 1 339.524 3.093 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)c4c(c3)OCCCO4)C[C@H]21 ZINC000261897117 455967325 /nfs/dbraw/zinc/96/73/25/455967325.db2.gz OKNBIDLZULRXSO-IIAWOOMASA-N 2 1 336.863 3.061 20 0 EGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)c4c(c3)OCCCO4)C[C@H]21 ZINC000261897117 455967328 /nfs/dbraw/zinc/96/73/28/455967328.db2.gz OKNBIDLZULRXSO-IIAWOOMASA-N 2 1 336.863 3.061 20 0 EGADMP CCn1cc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000286053883 455968905 /nfs/dbraw/zinc/96/89/05/455968905.db2.gz IUUOHZWOJLKHNH-FQEVSTJZSA-N 2 1 340.515 3.336 20 0 EGADMP CCn1cc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000286053883 455968909 /nfs/dbraw/zinc/96/89/09/455968909.db2.gz IUUOHZWOJLKHNH-FQEVSTJZSA-N 2 1 340.515 3.336 20 0 EGADMP C[C@H](CCn1cccn1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272502915 455972742 /nfs/dbraw/zinc/97/27/42/455972742.db2.gz LNFFQACZUNRIMI-WSTZPKSXSA-N 2 1 326.488 3.162 20 0 EGADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000272588834 456003792 /nfs/dbraw/zinc/00/37/92/456003792.db2.gz RQXBOJWONGILBR-MTQWCTHYSA-N 2 1 340.467 3.122 20 0 EGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)CCC2)c1 ZINC000262173144 456007826 /nfs/dbraw/zinc/00/78/26/456007826.db2.gz VLNFATSTGCAWQB-WMZOPIPTSA-N 2 1 332.488 3.051 20 0 EGADMP CC1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)COC1 ZINC000286263284 456011869 /nfs/dbraw/zinc/01/18/69/456011869.db2.gz VBNLVHWNIJGSBZ-XUVXKRRUSA-N 2 1 328.500 3.303 20 0 EGADMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1c(Cl)cccc1Cl ZINC000262498993 456041232 /nfs/dbraw/zinc/04/12/32/456041232.db2.gz LUOSBXYBGFKJAP-RISCZKNCSA-N 2 1 342.270 3.006 20 0 EGADMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1c(Cl)cccc1Cl ZINC000262498993 456041236 /nfs/dbraw/zinc/04/12/36/456041236.db2.gz LUOSBXYBGFKJAP-RISCZKNCSA-N 2 1 342.270 3.006 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+]([C@H]3Cc4ccccc4[C@@H]3O)C2)CC1 ZINC000270846349 456051809 /nfs/dbraw/zinc/05/18/09/456051809.db2.gz WUGWVDMZJSXMRD-YYWHXJBOSA-N 2 1 328.500 3.089 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@H]2CSCC[NH2+]2)cc1 ZINC000262767375 456058128 /nfs/dbraw/zinc/05/81/28/456058128.db2.gz JKBHMIIAQBUBCI-QAPCUYQASA-N 2 1 347.528 3.095 20 0 EGADMP NC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000332512111 456086018 /nfs/dbraw/zinc/08/60/18/456086018.db2.gz DXORGCFMASRVSV-PKOBYXMFSA-N 2 1 329.488 3.377 20 0 EGADMP C[N@@H+]1CCC[C@@H](N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C1 ZINC000301301617 456086295 /nfs/dbraw/zinc/08/62/95/456086295.db2.gz RJKNSEAKIJYULC-MRXNPFEDSA-N 2 1 344.890 3.104 20 0 EGADMP C[N@H+]1CCC[C@@H](N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C1 ZINC000301301617 456086296 /nfs/dbraw/zinc/08/62/96/456086296.db2.gz RJKNSEAKIJYULC-MRXNPFEDSA-N 2 1 344.890 3.104 20 0 EGADMP O[C@@H](CNc1cc[nH+]c2ccsc21)C[N@@H+]1CCc2ccccc2C1 ZINC000301518797 456134803 /nfs/dbraw/zinc/13/48/03/456134803.db2.gz KNQQAQDFOZVPJM-INIZCTEOSA-N 2 1 339.464 3.127 20 0 EGADMP O[C@@H](CNc1cc[nH+]c2ccsc21)C[N@H+]1CCc2ccccc2C1 ZINC000301518797 456134806 /nfs/dbraw/zinc/13/48/06/456134806.db2.gz KNQQAQDFOZVPJM-INIZCTEOSA-N 2 1 339.464 3.127 20 0 EGADMP CC(C)(C)c1cnc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000333125563 456163965 /nfs/dbraw/zinc/16/39/65/456163965.db2.gz HFHIBKGDWMWHHZ-PBHICJAKSA-N 2 1 337.533 3.159 20 0 EGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cscn3)CC2)oc1C ZINC000271192564 456165433 /nfs/dbraw/zinc/16/54/33/456165433.db2.gz XXLHDXKOGVZCCQ-CYBMUJFWSA-N 2 1 334.489 3.311 20 0 EGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)CC2([NH3+])CCC2)c1 ZINC000236726925 456175970 /nfs/dbraw/zinc/17/59/70/456175970.db2.gz FKUHNXXZLGNIFC-UHFFFAOYSA-N 2 1 331.504 3.196 20 0 EGADMP Cc1nnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000289959568 456195910 /nfs/dbraw/zinc/19/59/10/456195910.db2.gz WWAXYAIMPCLZTJ-WMLDXEAASA-N 2 1 330.501 3.032 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000263730019 456205286 /nfs/dbraw/zinc/20/52/86/456205286.db2.gz YFWZAETVOIYLSI-UHFFFAOYSA-N 2 1 331.504 3.133 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(c2nc(N(C)C)cc[nH+]2)CC1 ZINC000301799839 456218342 /nfs/dbraw/zinc/21/83/42/456218342.db2.gz ZXGJOOOWKAUWCX-INIZCTEOSA-N 2 1 331.508 3.024 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(c2nc(N(C)C)cc[nH+]2)CC1 ZINC000301799839 456218347 /nfs/dbraw/zinc/21/83/47/456218347.db2.gz ZXGJOOOWKAUWCX-INIZCTEOSA-N 2 1 331.508 3.024 20 0 EGADMP COc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)ccc1OCC(F)(F)F ZINC000237156053 456239359 /nfs/dbraw/zinc/23/93/59/456239359.db2.gz DWBFWAIUOQFGHR-LBPRGKRZSA-N 2 1 334.382 3.066 20 0 EGADMP COCCCOc1cccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290288988 456281427 /nfs/dbraw/zinc/28/14/27/456281427.db2.gz ADWRYUMTPIUJAR-FQEVSTJZSA-N 2 1 346.515 3.266 20 0 EGADMP CSc1cc2c(cc1C[N@H+](C)CCCn1cc[nH+]c1C)OCCO2 ZINC000290290539 456281572 /nfs/dbraw/zinc/28/15/72/456281572.db2.gz AHZITCWPWUQRGC-UHFFFAOYSA-N 2 1 347.484 3.207 20 0 EGADMP CSc1cc2c(cc1C[N@@H+](C)CCCn1cc[nH+]c1C)OCCO2 ZINC000290290539 456281577 /nfs/dbraw/zinc/28/15/77/456281577.db2.gz AHZITCWPWUQRGC-UHFFFAOYSA-N 2 1 347.484 3.207 20 0 EGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000302100948 456288108 /nfs/dbraw/zinc/28/81/08/456288108.db2.gz LVORXVACANBXBF-IAGOWNOFSA-N 2 1 341.540 3.103 20 0 EGADMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(-c2ccccc2)n1 ZINC000342899718 456303073 /nfs/dbraw/zinc/30/30/73/456303073.db2.gz GFGDHJJVUJOXBO-SFHVURJKSA-N 2 1 338.499 3.251 20 0 EGADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(-c2ccccc2)n1 ZINC000342899718 456303087 /nfs/dbraw/zinc/30/30/87/456303087.db2.gz GFGDHJJVUJOXBO-SFHVURJKSA-N 2 1 338.499 3.251 20 0 EGADMP Cn1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(-c2ccccc2)n1 ZINC000342899718 456303091 /nfs/dbraw/zinc/30/30/91/456303091.db2.gz GFGDHJJVUJOXBO-SFHVURJKSA-N 2 1 338.499 3.251 20 0 EGADMP Cn1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(-c2ccccc2)n1 ZINC000342899718 456303094 /nfs/dbraw/zinc/30/30/94/456303094.db2.gz GFGDHJJVUJOXBO-SFHVURJKSA-N 2 1 338.499 3.251 20 0 EGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc3c(c2)nnn3C)C1 ZINC000352806829 456325015 /nfs/dbraw/zinc/32/50/15/456325015.db2.gz VWNCNLSCDBUHFR-WMZOPIPTSA-N 2 1 341.503 3.055 20 0 EGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc3c(c2)nnn3C)C1 ZINC000352806829 456325022 /nfs/dbraw/zinc/32/50/22/456325022.db2.gz VWNCNLSCDBUHFR-WMZOPIPTSA-N 2 1 341.503 3.055 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc3c(c2)nnn3C)C1 ZINC000352806829 456325029 /nfs/dbraw/zinc/32/50/29/456325029.db2.gz VWNCNLSCDBUHFR-WMZOPIPTSA-N 2 1 341.503 3.055 20 0 EGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)nnn3C)C1 ZINC000352806829 456325034 /nfs/dbraw/zinc/32/50/34/456325034.db2.gz VWNCNLSCDBUHFR-WMZOPIPTSA-N 2 1 341.503 3.055 20 0 EGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2cccs2)C[C@@H]1C ZINC000342939770 456326053 /nfs/dbraw/zinc/32/60/53/456326053.db2.gz QAMZLNXOJWYJLH-GOEBONIOSA-N 2 1 332.517 3.453 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2cccs2)C[C@@H]1C ZINC000342939770 456326061 /nfs/dbraw/zinc/32/60/61/456326061.db2.gz QAMZLNXOJWYJLH-GOEBONIOSA-N 2 1 332.517 3.453 20 0 EGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2-c2cccs2)C[C@@H]1C ZINC000342939770 456326067 /nfs/dbraw/zinc/32/60/67/456326067.db2.gz QAMZLNXOJWYJLH-GOEBONIOSA-N 2 1 332.517 3.453 20 0 EGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2cccs2)C[C@@H]1C ZINC000342939770 456326076 /nfs/dbraw/zinc/32/60/76/456326076.db2.gz QAMZLNXOJWYJLH-GOEBONIOSA-N 2 1 332.517 3.453 20 0 EGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cscc1C(F)(F)F ZINC000352854656 456365230 /nfs/dbraw/zinc/36/52/30/456365230.db2.gz RECOXAJMVYHQCQ-CYBMUJFWSA-N 2 1 336.423 3.093 20 0 EGADMP Cc1nccn1CCC[N@H+](C)Cc1ccnn1-c1ccc(F)cc1 ZINC000290605193 456379953 /nfs/dbraw/zinc/37/99/53/456379953.db2.gz WEJWYRNXSWMICH-UHFFFAOYSA-N 2 1 327.407 3.038 20 0 EGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccnn1-c1ccc(F)cc1 ZINC000290605193 456379961 /nfs/dbraw/zinc/37/99/61/456379961.db2.gz WEJWYRNXSWMICH-UHFFFAOYSA-N 2 1 327.407 3.038 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(CC)nn(C)c1CC ZINC000290649436 456395943 /nfs/dbraw/zinc/39/59/43/456395943.db2.gz ZAARGBIPGKVIQJ-UHFFFAOYSA-N 2 1 331.508 3.216 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(CC)nn(C)c1CC ZINC000290649436 456395949 /nfs/dbraw/zinc/39/59/49/456395949.db2.gz ZAARGBIPGKVIQJ-UHFFFAOYSA-N 2 1 331.508 3.216 20 0 EGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000340350021 456406889 /nfs/dbraw/zinc/40/68/89/456406889.db2.gz KUYSLCWUGSEWKG-UXHICEINSA-N 2 1 328.500 3.456 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccccc2OC)[C@H](C)C1 ZINC000276191402 456409576 /nfs/dbraw/zinc/40/95/76/456409576.db2.gz IEWVUPDBISYVOW-UYAOXDASSA-N 2 1 348.531 3.354 20 0 EGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)c2ccc(C)cc2)[C@@H](C)C1 ZINC000276222816 456418096 /nfs/dbraw/zinc/41/80/96/456418096.db2.gz MFNOVDJHMLPEPJ-AZUAARDMSA-N 2 1 346.515 3.294 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)c2ccc(C)cc2)[C@@H](C)C1 ZINC000276222816 456418101 /nfs/dbraw/zinc/41/81/01/456418101.db2.gz MFNOVDJHMLPEPJ-AZUAARDMSA-N 2 1 346.515 3.294 20 0 EGADMP CC[N@@H+]1C[C@H](NCc2ccc(COCC(F)(F)F)cc2)[C@@H](C)C1 ZINC000343156292 456439338 /nfs/dbraw/zinc/43/93/38/456439338.db2.gz BAAFLXOAMZMJTP-BBRMVZONSA-N 2 1 330.394 3.195 20 0 EGADMP C[N@H+]1CCN(CC[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1(C)C ZINC000282222735 456447693 /nfs/dbraw/zinc/44/76/93/456447693.db2.gz IBYZCZLVJNEIHA-OALUTQOASA-N 2 1 329.532 3.184 20 0 EGADMP CCn1cc(CC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000276340157 456449307 /nfs/dbraw/zinc/44/93/07/456449307.db2.gz TXKARXFMUKKSIQ-GHTZIAJQSA-N 2 1 340.515 3.430 20 0 EGADMP CCn1cc(CC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000276340157 456449314 /nfs/dbraw/zinc/44/93/14/456449314.db2.gz TXKARXFMUKKSIQ-GHTZIAJQSA-N 2 1 340.515 3.430 20 0 EGADMP CCn1cc(CC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000276340157 456449321 /nfs/dbraw/zinc/44/93/21/456449321.db2.gz TXKARXFMUKKSIQ-GHTZIAJQSA-N 2 1 340.515 3.430 20 0 EGADMP CCn1cc(CC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000276340157 456449324 /nfs/dbraw/zinc/44/93/24/456449324.db2.gz TXKARXFMUKKSIQ-GHTZIAJQSA-N 2 1 340.515 3.430 20 0 EGADMP Clc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000340419847 456450383 /nfs/dbraw/zinc/45/03/83/456450383.db2.gz YMFAHMZHABUWAS-IRXDYDNUSA-N 2 1 330.863 3.447 20 0 EGADMP Clc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000340419847 456450389 /nfs/dbraw/zinc/45/03/89/456450389.db2.gz YMFAHMZHABUWAS-IRXDYDNUSA-N 2 1 330.863 3.447 20 0 EGADMP COc1cc2[nH+]ccc(NCCCn3cc[nH+]c3C)c2cc1OC ZINC000298428517 456455787 /nfs/dbraw/zinc/45/57/87/456455787.db2.gz WXTPPVDUZDGGPT-UHFFFAOYSA-N 2 1 326.400 3.259 20 0 EGADMP Cc1[nH]nc2ncc(C[NH2+]Cc3cccc(C[N@H+](C)C(C)C)c3)cc12 ZINC000340433986 456458361 /nfs/dbraw/zinc/45/83/61/456458361.db2.gz QZSMVILEWOUSNJ-UHFFFAOYSA-N 2 1 337.471 3.396 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3CCCC34CCOCC4)C2)cc1 ZINC000282257707 456458614 /nfs/dbraw/zinc/45/86/14/456458614.db2.gz QSBTWYOXECNOKV-RTWAWAEBSA-N 2 1 342.527 3.490 20 0 EGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000282257698 456458933 /nfs/dbraw/zinc/45/89/33/456458933.db2.gz QSBTWYOXECNOKV-LEWJYISDSA-N 2 1 342.527 3.490 20 0 EGADMP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC000282426003 456510141 /nfs/dbraw/zinc/51/01/41/456510141.db2.gz MBFCVMCROCCFOT-WBMJQRKESA-N 2 1 346.272 3.485 20 0 EGADMP C[C@@H]([NH2+]CCC(=O)Nc1cccc(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000298914731 456568241 /nfs/dbraw/zinc/56/82/41/456568241.db2.gz NGINXDRKNZPNNG-HZPDHXFCSA-N 2 1 347.478 3.397 20 0 EGADMP Cc1cc([C@H](C)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000282754909 456614892 /nfs/dbraw/zinc/61/48/92/456614892.db2.gz NYDVZZWEKNESDL-LNLFQRSKSA-N 2 1 326.488 3.290 20 0 EGADMP COCC[C@@H]([NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C(C)(C)C ZINC000337946393 456616346 /nfs/dbraw/zinc/61/63/46/456616346.db2.gz BXTZZKKFJIUIAN-MRXNPFEDSA-N 2 1 339.549 3.450 20 0 EGADMP COCC[C@@H]([NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C(C)(C)C ZINC000337946393 456616350 /nfs/dbraw/zinc/61/63/50/456616350.db2.gz BXTZZKKFJIUIAN-MRXNPFEDSA-N 2 1 339.549 3.450 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)oc1C ZINC000282790095 456626635 /nfs/dbraw/zinc/62/66/35/456626635.db2.gz QCVYXKIBGUKTSN-BEFAXECRSA-N 2 1 328.456 3.314 20 0 EGADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)oc1C ZINC000282790095 456626639 /nfs/dbraw/zinc/62/66/39/456626639.db2.gz QCVYXKIBGUKTSN-BEFAXECRSA-N 2 1 328.456 3.314 20 0 EGADMP O[C@@H]1CCCC[C@H]1[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291384038 456627173 /nfs/dbraw/zinc/62/71/73/456627173.db2.gz BOCXCWUEHBMYBO-WOJBJXKFSA-N 2 1 328.500 3.278 20 0 EGADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000353312564 456630553 /nfs/dbraw/zinc/63/05/53/456630553.db2.gz IZMKNVNUHJZVDS-JXFKEZNVSA-N 2 1 346.515 3.100 20 0 EGADMP c1ccc([C@@H]2C[C@H]2C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000348345879 456638228 /nfs/dbraw/zinc/63/82/28/456638228.db2.gz RCYGFKWDPKXTGE-VXKWHMMOSA-N 2 1 336.479 3.412 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1)C1CC1 ZINC000338000049 456647995 /nfs/dbraw/zinc/64/79/95/456647995.db2.gz LNDMFCOBZHMPCH-UHFFFAOYSA-N 2 1 343.515 3.275 20 0 EGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000282952066 456673376 /nfs/dbraw/zinc/67/33/76/456673376.db2.gz HEWAMLPHYFPWNJ-FXAWDEMLSA-N 2 1 326.488 3.082 20 0 EGADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CS1 ZINC000277099456 456681220 /nfs/dbraw/zinc/68/12/20/456681220.db2.gz GXSCYLSKJNDARX-MOPGFXCFSA-N 2 1 334.529 3.139 20 0 EGADMP CCOC(=O)CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000343542826 456696284 /nfs/dbraw/zinc/69/62/84/456696284.db2.gz VEOLWCOFMQJCKR-VQTJNVASSA-N 2 1 344.499 3.316 20 0 EGADMP CCOC(=O)CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000343542826 456696289 /nfs/dbraw/zinc/69/62/89/456696289.db2.gz VEOLWCOFMQJCKR-VQTJNVASSA-N 2 1 344.499 3.316 20 0 EGADMP CCOC(=O)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000343542826 456696292 /nfs/dbraw/zinc/69/62/92/456696292.db2.gz VEOLWCOFMQJCKR-VQTJNVASSA-N 2 1 344.499 3.316 20 0 EGADMP CCOC(=O)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000343542826 456696298 /nfs/dbraw/zinc/69/62/98/456696298.db2.gz VEOLWCOFMQJCKR-VQTJNVASSA-N 2 1 344.499 3.316 20 0 EGADMP CCCn1ccnc1CCC[N@@H+](C)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000277171131 456706427 /nfs/dbraw/zinc/70/64/27/456706427.db2.gz KRYLENVLFSOWKX-CQSZACIVSA-N 2 1 333.432 3.298 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000277171131 456706439 /nfs/dbraw/zinc/70/64/39/456706439.db2.gz KRYLENVLFSOWKX-CQSZACIVSA-N 2 1 333.432 3.298 20 0 EGADMP COC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000277206630 456723524 /nfs/dbraw/zinc/72/35/24/456723524.db2.gz KKDJXZRVSJZOHB-SGZDXZSOSA-N 2 1 344.499 3.218 20 0 EGADMP COC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000277206630 456723530 /nfs/dbraw/zinc/72/35/30/456723530.db2.gz KKDJXZRVSJZOHB-SGZDXZSOSA-N 2 1 344.499 3.218 20 0 EGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCO[C@H]3CCCCO3)C2)CC1 ZINC000338238615 456725740 /nfs/dbraw/zinc/72/57/40/456725740.db2.gz UBNRENRRSJZTOO-UXHICEINSA-N 2 1 338.536 3.364 20 0 EGADMP Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277212354 456726398 /nfs/dbraw/zinc/72/63/98/456726398.db2.gz NJUZTXSVTIJGBZ-SFHVURJKSA-N 2 1 331.504 3.438 20 0 EGADMP CCc1nnc([C@@H](C)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000328655547 456729150 /nfs/dbraw/zinc/72/91/50/456729150.db2.gz MZRMHJZUYRYFBE-KGLIPLIRSA-N 2 1 329.448 3.105 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)c2cc1C ZINC000277260681 456749966 /nfs/dbraw/zinc/74/99/66/456749966.db2.gz QXZQFNHZCCVLCM-KRWDZBQOSA-N 2 1 328.456 3.326 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)c2cc1C ZINC000277260681 456749972 /nfs/dbraw/zinc/74/99/72/456749972.db2.gz QXZQFNHZCCVLCM-KRWDZBQOSA-N 2 1 328.456 3.326 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)NCCC1=CCCCC1 ZINC000277266054 456752461 /nfs/dbraw/zinc/75/24/61/456752461.db2.gz RFKZBXMXRWCRDQ-UHFFFAOYSA-N 2 1 346.519 3.164 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)NCCC1=CCCCC1 ZINC000277266054 456752466 /nfs/dbraw/zinc/75/24/66/456752466.db2.gz RFKZBXMXRWCRDQ-UHFFFAOYSA-N 2 1 346.519 3.164 20 0 EGADMP CCOc1ccc([C@H](O)C2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000291795281 456760579 /nfs/dbraw/zinc/76/05/79/456760579.db2.gz MVQKIEMPGNVWJE-FPOVZHCZSA-N 2 1 346.515 3.315 20 0 EGADMP COC1CCC([NH+](C)CCC[N@H+](C)C2CCC(OC)CC2)CC1 ZINC000343677473 456765366 /nfs/dbraw/zinc/76/53/66/456765366.db2.gz BDSVLVPCDVVZRG-UHFFFAOYSA-N 2 1 326.525 3.155 20 0 EGADMP CC(C)Cc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000340990528 456803675 /nfs/dbraw/zinc/80/36/75/456803675.db2.gz IRRXWJQPNWOPDK-UHFFFAOYSA-N 2 1 331.548 3.343 20 0 EGADMP CC(C)[C@@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[NH+](C)C ZINC000348665369 456807058 /nfs/dbraw/zinc/80/70/58/456807058.db2.gz ZINSUZXDRWUVFQ-XLIONFOSSA-N 2 1 345.531 3.121 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000292013697 456829647 /nfs/dbraw/zinc/82/96/47/456829647.db2.gz BSGGSSVXCFAOFE-IRXDYDNUSA-N 2 1 331.504 3.159 20 0 EGADMP C[N@H+]1CC[C@]2(CC[NH+](CCc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000292102127 456856365 /nfs/dbraw/zinc/85/63/65/456856365.db2.gz IBJLSKXDMAQQNE-INIZCTEOSA-N 2 1 328.378 3.155 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@H+](CCc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000292102127 456856370 /nfs/dbraw/zinc/85/63/70/456856370.db2.gz IBJLSKXDMAQQNE-INIZCTEOSA-N 2 1 328.378 3.155 20 0 EGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000292102127 456856374 /nfs/dbraw/zinc/85/63/74/456856374.db2.gz IBJLSKXDMAQQNE-INIZCTEOSA-N 2 1 328.378 3.155 20 0 EGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)CC1 ZINC000349199064 456911444 /nfs/dbraw/zinc/91/14/44/456911444.db2.gz XVMRPSJIVCYAIH-OAHLLOKOSA-N 2 1 330.501 3.302 20 0 EGADMP Cc1n[nH]cc1C[N@@H+](CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000349387749 456961180 /nfs/dbraw/zinc/96/11/80/456961180.db2.gz WGJQGECGPKVIRQ-UHFFFAOYSA-N 2 1 329.835 3.270 20 0 EGADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC000353933588 456970810 /nfs/dbraw/zinc/97/08/10/456970810.db2.gz QACOABUBHTUKMU-YTQUADARSA-N 2 1 332.488 3.076 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000353971119 456984056 /nfs/dbraw/zinc/98/40/56/456984056.db2.gz IGELWSAVSVCKFM-IEBWSBKVSA-N 2 1 333.520 3.152 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000353971119 456984060 /nfs/dbraw/zinc/98/40/60/456984060.db2.gz IGELWSAVSVCKFM-IEBWSBKVSA-N 2 1 333.520 3.152 20 0 EGADMP CC(C)C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000345689583 456988271 /nfs/dbraw/zinc/98/82/71/456988271.db2.gz JHXIXWVHBJXNRI-PMACEKPBSA-N 2 1 345.531 3.134 20 0 EGADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000353988852 456992328 /nfs/dbraw/zinc/99/23/28/456992328.db2.gz YHTOZWHEESQSDM-WOJBJXKFSA-N 2 1 341.503 3.182 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000353988852 456992329 /nfs/dbraw/zinc/99/23/29/456992329.db2.gz YHTOZWHEESQSDM-WOJBJXKFSA-N 2 1 341.503 3.182 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)CC[C@@H]2C)cc1 ZINC000354009377 457005530 /nfs/dbraw/zinc/00/55/30/457005530.db2.gz VGXKKNCFYKTKIS-KRWDZBQOSA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1 ZINC000354009377 457005534 /nfs/dbraw/zinc/00/55/34/457005534.db2.gz VGXKKNCFYKTKIS-KRWDZBQOSA-N 2 1 331.504 3.085 20 0 EGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1 ZINC000354009377 457005537 /nfs/dbraw/zinc/00/55/37/457005537.db2.gz VGXKKNCFYKTKIS-KRWDZBQOSA-N 2 1 331.504 3.085 20 0 EGADMP COc1cc(C)c(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1OC ZINC000354096699 457059490 /nfs/dbraw/zinc/05/94/90/457059490.db2.gz KTIHAYTUSGXMDH-QGZVFWFLSA-N 2 1 332.488 3.176 20 0 EGADMP COc1cc(C)c(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1OC ZINC000354096699 457059494 /nfs/dbraw/zinc/05/94/94/457059494.db2.gz KTIHAYTUSGXMDH-QGZVFWFLSA-N 2 1 332.488 3.176 20 0 EGADMP COc1cc(C)c(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1OC ZINC000354096699 457059500 /nfs/dbraw/zinc/05/95/00/457059500.db2.gz KTIHAYTUSGXMDH-QGZVFWFLSA-N 2 1 332.488 3.176 20 0 EGADMP COc1cc(C)c(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1OC ZINC000354096699 457059504 /nfs/dbraw/zinc/05/95/04/457059504.db2.gz KTIHAYTUSGXMDH-QGZVFWFLSA-N 2 1 332.488 3.176 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(OC(C)C)c2)C1 ZINC000354095703 457059552 /nfs/dbraw/zinc/05/95/52/457059552.db2.gz DKEJDWZHAQVDRI-FQEVSTJZSA-N 2 1 334.504 3.407 20 0 EGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000354098327 457060573 /nfs/dbraw/zinc/06/05/73/457060573.db2.gz WEXJMUVOCKEMAI-KRWDZBQOSA-N 2 1 342.430 3.221 20 0 EGADMP c1ccc([C@@H](C[NH+]2CCOCC2)Nc2cc[nH+]c3ccccc23)cc1 ZINC000346612378 457079494 /nfs/dbraw/zinc/07/94/94/457079494.db2.gz WEEFZAPBELYRSO-OAQYLSRUSA-N 2 1 333.435 3.142 20 0 EGADMP Cn1cc(-c2ccc(C[N@@H+](CCC[NH3+])Cc3ccccc3)s2)cn1 ZINC000339406308 457096169 /nfs/dbraw/zinc/09/61/69/457096169.db2.gz FFAZWIPPNYFJTC-UHFFFAOYSA-N 2 1 340.496 3.500 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000362872228 457135497 /nfs/dbraw/zinc/13/54/97/457135497.db2.gz POGMELGPEMQWLL-MOPGFXCFSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000362872228 457135501 /nfs/dbraw/zinc/13/55/01/457135501.db2.gz POGMELGPEMQWLL-MOPGFXCFSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000362872228 457135506 /nfs/dbraw/zinc/13/55/06/457135506.db2.gz POGMELGPEMQWLL-MOPGFXCFSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000359925072 457151516 /nfs/dbraw/zinc/15/15/16/457151516.db2.gz KRQMQENAJOABDA-LQWHRVPQSA-N 3 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000359925072 457151522 /nfs/dbraw/zinc/15/15/22/457151522.db2.gz KRQMQENAJOABDA-LQWHRVPQSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000359925072 457151529 /nfs/dbraw/zinc/15/15/29/457151529.db2.gz KRQMQENAJOABDA-LQWHRVPQSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C)C[C@@H]2C)C1 ZINC000359925072 457151535 /nfs/dbraw/zinc/15/15/35/457151535.db2.gz KRQMQENAJOABDA-LQWHRVPQSA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C)C[C@@H]2C)C1 ZINC000359925072 457151542 /nfs/dbraw/zinc/15/15/42/457151542.db2.gz KRQMQENAJOABDA-LQWHRVPQSA-N 2 1 329.532 3.348 20 0 EGADMP CN1CC[NH+](Cc2ccc(C[NH2+]C3CCC4(CC4)CC3)cc2)CC1 ZINC000362912945 457152163 /nfs/dbraw/zinc/15/21/63/457152163.db2.gz KJYVJYCZKDOCTK-UHFFFAOYSA-N 2 1 327.516 3.246 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000356773469 457161095 /nfs/dbraw/zinc/16/10/95/457161095.db2.gz LSLLTOMYBKKPRG-LPHOPBHVSA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000356773469 457161101 /nfs/dbraw/zinc/16/11/01/457161101.db2.gz LSLLTOMYBKKPRG-LPHOPBHVSA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000356773469 457161104 /nfs/dbraw/zinc/16/11/04/457161104.db2.gz LSLLTOMYBKKPRG-LPHOPBHVSA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000356773469 457161113 /nfs/dbraw/zinc/16/11/13/457161113.db2.gz LSLLTOMYBKKPRG-LPHOPBHVSA-N 2 1 349.494 3.025 20 0 EGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000356773469 457161119 /nfs/dbraw/zinc/16/11/19/457161119.db2.gz LSLLTOMYBKKPRG-LPHOPBHVSA-N 2 1 349.494 3.025 20 0 EGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000359950765 457166333 /nfs/dbraw/zinc/16/63/33/457166333.db2.gz UVOIKXJJYQNXIC-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000359950765 457166337 /nfs/dbraw/zinc/16/63/37/457166337.db2.gz UVOIKXJJYQNXIC-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000359950765 457166341 /nfs/dbraw/zinc/16/63/41/457166341.db2.gz UVOIKXJJYQNXIC-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000359950765 457166343 /nfs/dbraw/zinc/16/63/43/457166343.db2.gz UVOIKXJJYQNXIC-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000359950765 457166348 /nfs/dbraw/zinc/16/63/48/457166348.db2.gz UVOIKXJJYQNXIC-OPYAIIAOSA-N 2 1 329.532 3.491 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC000354389073 457193347 /nfs/dbraw/zinc/19/33/47/457193347.db2.gz WBZGKSXMSPTZOG-RTBURBONSA-N 2 1 331.504 3.060 20 0 EGADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H](C)C2 ZINC000331728641 457241029 /nfs/dbraw/zinc/24/10/29/457241029.db2.gz ZPUBRVUPGDMKJM-HHXXYDBFSA-N 2 1 329.488 3.455 20 0 EGADMP C[C@@H]1CSC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000331767219 457247700 /nfs/dbraw/zinc/24/77/00/457247700.db2.gz HANAIXIMUDZWJP-JLSDUUJJSA-N 2 1 347.528 3.275 20 0 EGADMP CCC[N@H+](Cc1cc(Br)c(OC)s1)C1CC[NH2+]CC1 ZINC000347165043 457264770 /nfs/dbraw/zinc/26/47/70/457264770.db2.gz JNRZKGAMGJBUKS-UHFFFAOYSA-N 2 1 347.322 3.483 20 0 EGADMP CCC[N@@H+](Cc1cc(Br)c(OC)s1)C1CC[NH2+]CC1 ZINC000347165043 457264776 /nfs/dbraw/zinc/26/47/76/457264776.db2.gz JNRZKGAMGJBUKS-UHFFFAOYSA-N 2 1 347.322 3.483 20 0 EGADMP CC(C)[C@@H]1C[NH+](C/C=C/C[N@H+]2CCCO[C@H](C(C)C)C2)CCCO1 ZINC000339812522 457284944 /nfs/dbraw/zinc/28/49/44/457284944.db2.gz KVISGJWIOJPXCO-KJBZUCPPSA-N 2 1 338.536 3.036 20 0 EGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347205576 457287309 /nfs/dbraw/zinc/28/73/09/457287309.db2.gz LUGHMOQFZVOYDR-DNVCBOLYSA-N 2 1 326.488 3.107 20 0 EGADMP CC(C)[C@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000354668405 457306882 /nfs/dbraw/zinc/30/68/82/457306882.db2.gz VKLQEJULOYRBQW-RTBURBONSA-N 2 1 337.552 3.268 20 0 EGADMP [NH3+]CCOCC[N@@H+](Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000357082801 457312931 /nfs/dbraw/zinc/31/29/31/457312931.db2.gz PHLCFYTVQJVWON-UHFFFAOYSA-N 2 1 330.394 3.425 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363616820 457383773 /nfs/dbraw/zinc/38/37/73/457383773.db2.gz RYFZNCPUJGCEAC-PKOBYXMFSA-N 2 1 342.462 3.345 20 0 EGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363616820 457383782 /nfs/dbraw/zinc/38/37/82/457383782.db2.gz RYFZNCPUJGCEAC-PKOBYXMFSA-N 2 1 342.462 3.345 20 0 EGADMP Cc1sc(NC(=O)C[N@H+](CCC[NH3+])CC2CCCC2)c(C)c1C ZINC000352504899 457423825 /nfs/dbraw/zinc/42/38/25/457423825.db2.gz VYZMHWBDRCOKKI-UHFFFAOYSA-N 2 1 337.533 3.453 20 0 EGADMP Cc1sc(NC(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)c(C)c1C ZINC000352504899 457423829 /nfs/dbraw/zinc/42/38/29/457423829.db2.gz VYZMHWBDRCOKKI-UHFFFAOYSA-N 2 1 337.533 3.453 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@@H](CNC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000383644755 457425272 /nfs/dbraw/zinc/42/52/72/457425272.db2.gz CFYFQYFTCSYXIX-IBGZPJMESA-N 2 1 327.516 3.115 20 0 EGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000356046092 457441825 /nfs/dbraw/zinc/44/18/25/457441825.db2.gz SBOORKNYWSAIFV-VQTJNVASSA-N 2 1 345.531 3.276 20 0 EGADMP c1ccc(COc2cccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2)nc1 ZINC000352540273 457451013 /nfs/dbraw/zinc/45/10/13/457451013.db2.gz IZZUAEWBVHOFQV-OAQYLSRUSA-N 2 1 337.467 3.236 20 0 EGADMP c1ccc(COc2cccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2)nc1 ZINC000352540273 457451017 /nfs/dbraw/zinc/45/10/17/457451017.db2.gz IZZUAEWBVHOFQV-OAQYLSRUSA-N 2 1 337.467 3.236 20 0 EGADMP CCCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000347474038 457451876 /nfs/dbraw/zinc/45/18/76/457451876.db2.gz LKKPTNQFGIFEBJ-APWZRJJASA-N 2 1 331.504 3.195 20 0 EGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000392294479 457459433 /nfs/dbraw/zinc/45/94/33/457459433.db2.gz PRQGFJQMXGJPCR-RDJZCZTQSA-N 2 1 337.508 3.016 20 0 EGADMP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1OC(F)F ZINC000397287893 457486259 /nfs/dbraw/zinc/48/62/59/457486259.db2.gz VKYXCQFGGCRDRD-IPYPFGDCSA-N 2 1 342.430 3.492 20 0 EGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)c2C1 ZINC000352633616 457497086 /nfs/dbraw/zinc/49/70/86/457497086.db2.gz QLVVBHXIIPOZLZ-HOTGVXAUSA-N 2 1 329.488 3.470 20 0 EGADMP Cc1cnc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1C ZINC000342771951 457515098 /nfs/dbraw/zinc/51/50/98/457515098.db2.gz AABKTBXSEQKRFW-UHFFFAOYSA-N 2 1 338.499 3.217 20 0 EGADMP Cc1cnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1C ZINC000342771951 457515105 /nfs/dbraw/zinc/51/51/05/457515105.db2.gz AABKTBXSEQKRFW-UHFFFAOYSA-N 2 1 338.499 3.217 20 0 EGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400975798 457521634 /nfs/dbraw/zinc/52/16/34/457521634.db2.gz RPXWUJNGMXSXOY-NCYKPQTJSA-N 3 1 341.543 3.265 20 0 EGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400975798 457521639 /nfs/dbraw/zinc/52/16/39/457521639.db2.gz RPXWUJNGMXSXOY-NCYKPQTJSA-N 3 1 341.543 3.265 20 0 EGADMP C[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000404515207 457544465 /nfs/dbraw/zinc/54/44/65/457544465.db2.gz SBFITKPFIPGENC-IXDOHACOSA-N 2 1 331.504 3.014 20 0 EGADMP CCC(CC)[C@H]1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000352743043 457576963 /nfs/dbraw/zinc/57/69/63/457576963.db2.gz SNORXBFQAOTQAB-GDBMZVCRSA-N 2 1 325.522 3.278 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C/C=C/c2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000352756188 457584559 /nfs/dbraw/zinc/58/45/59/457584559.db2.gz OXGNBBUSTJTDAQ-AXHPFZFWSA-N 2 1 338.442 3.457 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C(=O)OC)c(C)n2C)CC1 ZINC000361176330 457630375 /nfs/dbraw/zinc/63/03/75/457630375.db2.gz IVEGZRSUEOAEFY-UHFFFAOYSA-N 2 1 349.519 3.064 20 0 EGADMP COCC[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000370526852 457665919 /nfs/dbraw/zinc/66/59/19/457665919.db2.gz GHIVZZOVZOJSIU-MOPGFXCFSA-N 2 1 349.519 3.298 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)[C@@H](C)C1 ZINC000357889340 457725073 /nfs/dbraw/zinc/72/50/73/457725073.db2.gz ZMJAYHHGQXAVGJ-ZFWWWQNUSA-N 2 1 345.409 3.189 20 0 EGADMP C[NH+](C)CC1CC[NH+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000365327532 457743064 /nfs/dbraw/zinc/74/30/64/457743064.db2.gz PMYZDJOCHVALES-GOSISDBHSA-N 2 1 349.906 3.109 20 0 EGADMP CN(Cc1ccccc1Cl)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425957422 457747361 /nfs/dbraw/zinc/74/73/61/457747361.db2.gz IFKZPKILKSUHES-FQEVSTJZSA-N 2 1 344.886 3.409 20 0 EGADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC000426033299 457762017 /nfs/dbraw/zinc/76/20/17/457762017.db2.gz DXRAFCBABINHRA-RBUKOAKNSA-N 2 1 328.500 3.407 20 0 EGADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC000426033299 457762023 /nfs/dbraw/zinc/76/20/23/457762023.db2.gz DXRAFCBABINHRA-RBUKOAKNSA-N 2 1 328.500 3.407 20 0 EGADMP COc1cc(F)c([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000358080641 457772439 /nfs/dbraw/zinc/77/24/39/457772439.db2.gz GGZVDAFHYPZTKU-QWHCGFSZSA-N 2 1 335.423 3.335 20 0 EGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000358085701 457777844 /nfs/dbraw/zinc/77/78/44/457777844.db2.gz NUNRMYDDOSTYBM-MBOZVWFJSA-N 3 1 332.536 3.460 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000358096314 457782915 /nfs/dbraw/zinc/78/29/15/457782915.db2.gz LUSDCAJRMPXRPY-UONOGXRCSA-N 2 1 344.459 3.145 20 0 EGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000443641826 457795209 /nfs/dbraw/zinc/79/52/09/457795209.db2.gz MJSQJIHVFPYCRS-PDGJWGCVSA-N 2 1 342.527 3.451 20 0 EGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000443641826 457795214 /nfs/dbraw/zinc/79/52/14/457795214.db2.gz MJSQJIHVFPYCRS-PDGJWGCVSA-N 2 1 342.527 3.451 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000457739991 457813195 /nfs/dbraw/zinc/81/31/95/457813195.db2.gz OVAPVGDVJNSRAS-KRWDZBQOSA-N 2 1 340.556 3.061 20 0 EGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358155849 457822149 /nfs/dbraw/zinc/82/21/49/457822149.db2.gz PEPMHAWFWRXNBO-NFAWXSAZSA-N 2 1 336.430 3.292 20 0 EGADMP CCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411223553 457834390 /nfs/dbraw/zinc/83/43/90/457834390.db2.gz OQKIJUDBXHLDQT-FQEVSTJZSA-N 2 1 343.515 3.163 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(F)cc2cccnc21 ZINC000371296368 457852630 /nfs/dbraw/zinc/85/26/30/457852630.db2.gz YWZFBXQXMBLHPL-GUDVDZBRSA-N 2 1 343.446 3.057 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(F)cc2cccnc21 ZINC000371296368 457852639 /nfs/dbraw/zinc/85/26/39/457852639.db2.gz YWZFBXQXMBLHPL-GUDVDZBRSA-N 2 1 343.446 3.057 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCSc1ccccc1F ZINC000371294124 457853250 /nfs/dbraw/zinc/85/32/50/457853250.db2.gz JDBQHPSFYXTQPZ-OIISXLGYSA-N 2 1 338.492 3.101 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCSc1ccccc1F ZINC000371294124 457853256 /nfs/dbraw/zinc/85/32/56/457853256.db2.gz JDBQHPSFYXTQPZ-OIISXLGYSA-N 2 1 338.492 3.101 20 0 EGADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(F)cc1 ZINC000358203975 457857322 /nfs/dbraw/zinc/85/73/22/457857322.db2.gz DSQMZANPCVQRDS-UHFFFAOYSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358251781 457889831 /nfs/dbraw/zinc/88/98/31/457889831.db2.gz LKEVADDVYODVQM-JKSUJKDBSA-N 2 1 330.394 3.203 20 0 EGADMP CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000358251781 457889833 /nfs/dbraw/zinc/88/98/33/457889833.db2.gz LKEVADDVYODVQM-JKSUJKDBSA-N 2 1 330.394 3.203 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000361828743 457890102 /nfs/dbraw/zinc/89/01/02/457890102.db2.gz GTDCESOZUSDIQJ-LJQANCHMSA-N 2 1 338.499 3.344 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000361828743 457890106 /nfs/dbraw/zinc/89/01/06/457890106.db2.gz GTDCESOZUSDIQJ-LJQANCHMSA-N 2 1 338.499 3.344 20 0 EGADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000361828743 457890112 /nfs/dbraw/zinc/89/01/12/457890112.db2.gz GTDCESOZUSDIQJ-LJQANCHMSA-N 2 1 338.499 3.344 20 0 EGADMP C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411565547 457920085 /nfs/dbraw/zinc/92/00/85/457920085.db2.gz VKELDPNOCIWZRX-QGZVFWFLSA-N 2 1 345.531 3.408 20 0 EGADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411565547 457920091 /nfs/dbraw/zinc/92/00/91/457920091.db2.gz VKELDPNOCIWZRX-QGZVFWFLSA-N 2 1 345.531 3.408 20 0 EGADMP O[C@@]1(C[NH2+][C@H]2CCCc3sccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000361876061 457922758 /nfs/dbraw/zinc/92/27/58/457922758.db2.gz CJPYCFRFBGVPHU-AZUAARDMSA-N 2 1 342.508 3.352 20 0 EGADMP O[C@@]1(C[NH2+][C@H]2CCCc3sccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000361876061 457922762 /nfs/dbraw/zinc/92/27/62/457922762.db2.gz CJPYCFRFBGVPHU-AZUAARDMSA-N 2 1 342.508 3.352 20 0 EGADMP C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000361890247 457933769 /nfs/dbraw/zinc/93/37/69/457933769.db2.gz DRRGARURXHWQBI-MGPUTAFESA-N 2 1 346.421 3.252 20 0 EGADMP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)ccc1OCC[NH+](C)C ZINC000458194276 457964525 /nfs/dbraw/zinc/96/45/25/457964525.db2.gz JYRLUPYXMQCORL-IXDOHACOSA-N 2 1 347.503 3.135 20 0 EGADMP CC[N@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411737979 457966707 /nfs/dbraw/zinc/96/67/07/457966707.db2.gz RQPAPWOFUHXAGY-LJQANCHMSA-N 2 1 343.515 3.134 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@H]2C(C)C)[C@@H](C)C1 ZINC000358395806 457977583 /nfs/dbraw/zinc/97/75/83/457977583.db2.gz INQJMYWCDGNCAF-MUGJNUQGSA-N 2 1 340.552 3.164 20 0 EGADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C3CCC4(CC3)OCCO4)C2)cc1 ZINC000368366838 458031674 /nfs/dbraw/zinc/03/16/74/458031674.db2.gz IREZRCNBVUXOLC-LJQANCHMSA-N 2 1 344.499 3.174 20 0 EGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358503864 458042752 /nfs/dbraw/zinc/04/27/52/458042752.db2.gz HDUZJLQHPVDJNI-HKUYNNGSSA-N 2 1 343.515 3.108 20 0 EGADMP O[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C[C@@H]2C1 ZINC000412044934 458064013 /nfs/dbraw/zinc/06/40/13/458064013.db2.gz MFUCXVMBKAKNHT-PCCBWWKXSA-N 2 1 328.500 3.265 20 0 EGADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)Cc1ccc3ccccc3c1)CC2 ZINC000369128903 458092494 /nfs/dbraw/zinc/09/24/94/458092494.db2.gz ZHPSASAHYNHASN-NRFANRHFSA-N 2 1 338.495 3.303 20 0 EGADMP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)Cc1ccc3ccccc3c1)CC2 ZINC000369128903 458092505 /nfs/dbraw/zinc/09/25/05/458092505.db2.gz ZHPSASAHYNHASN-NRFANRHFSA-N 2 1 338.495 3.303 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3c(F)cccc3F)C2)CC1 ZINC000375906884 458118896 /nfs/dbraw/zinc/11/88/96/458118896.db2.gz WHSFXBKEDAFQAM-JKSUJKDBSA-N 2 1 337.458 3.126 20 0 EGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3c(F)cccc3F)C2)CC1 ZINC000375906884 458118904 /nfs/dbraw/zinc/11/89/04/458118904.db2.gz WHSFXBKEDAFQAM-JKSUJKDBSA-N 2 1 337.458 3.126 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000435371966 458121495 /nfs/dbraw/zinc/12/14/95/458121495.db2.gz PICOMXVKSVXYCR-BFUOFWGJSA-N 2 1 346.906 3.371 20 0 EGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000435371966 458121502 /nfs/dbraw/zinc/12/15/02/458121502.db2.gz PICOMXVKSVXYCR-BFUOFWGJSA-N 2 1 346.906 3.371 20 0 EGADMP CCOc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000435370956 458122049 /nfs/dbraw/zinc/12/20/49/458122049.db2.gz KNDBFERUFSOWFR-OCCSQVGLSA-N 2 1 346.393 3.196 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000435372788 458122186 /nfs/dbraw/zinc/12/21/86/458122186.db2.gz KVHVSBIXVCFNJT-HNNXBMFYSA-N 2 1 348.441 3.199 20 0 EGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000435372788 458122193 /nfs/dbraw/zinc/12/21/93/458122193.db2.gz KVHVSBIXVCFNJT-HNNXBMFYSA-N 2 1 348.441 3.199 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435373936 458124214 /nfs/dbraw/zinc/12/42/14/458124214.db2.gz GTGNQMUZLBDABR-KRWDZBQOSA-N 2 1 338.499 3.266 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435373936 458124220 /nfs/dbraw/zinc/12/42/20/458124220.db2.gz GTGNQMUZLBDABR-KRWDZBQOSA-N 2 1 338.499 3.266 20 0 EGADMP CC(C)c1nc(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n[nH]1 ZINC000428362853 458127429 /nfs/dbraw/zinc/12/74/29/458127429.db2.gz JTIZMYUSPKCYPO-MRXNPFEDSA-N 2 1 333.524 3.405 20 0 EGADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H](C[NH3+])C2)o1 ZINC000435388040 458131595 /nfs/dbraw/zinc/13/15/95/458131595.db2.gz DOOBRFDOGXHQAW-MRXNPFEDSA-N 2 1 336.439 3.221 20 0 EGADMP COc1cc(OC)cc(Oc2ccc(C[N@H+]3CC[C@@H](C[NH3+])C3)cc2)c1 ZINC000435385760 458132483 /nfs/dbraw/zinc/13/24/83/458132483.db2.gz UALJETOKOUIWSH-INIZCTEOSA-N 2 1 342.439 3.277 20 0 EGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000358655819 458132620 /nfs/dbraw/zinc/13/26/20/458132620.db2.gz BQERVUVPBLZBBA-IRXDYDNUSA-N 2 1 348.535 3.144 20 0 EGADMP Cc1nccn1CCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000369305821 458166070 /nfs/dbraw/zinc/16/60/70/458166070.db2.gz MRTDQGGHQVDTPV-OYRHEFFESA-N 2 1 338.499 3.036 20 0 EGADMP Cc1nccn1CCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000369305821 458166080 /nfs/dbraw/zinc/16/60/80/458166080.db2.gz MRTDQGGHQVDTPV-OYRHEFFESA-N 3 1 338.499 3.036 20 0 EGADMP Cc1nccn1CCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000369305821 458166090 /nfs/dbraw/zinc/16/60/90/458166090.db2.gz MRTDQGGHQVDTPV-OYRHEFFESA-N 3 1 338.499 3.036 20 0 EGADMP CC[C@H](CC1CCCC1)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369334846 458175902 /nfs/dbraw/zinc/17/59/02/458175902.db2.gz JEWNDFRUIQKCAH-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@H](CC1CCCC1)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369334846 458175908 /nfs/dbraw/zinc/17/59/08/458175908.db2.gz JEWNDFRUIQKCAH-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP C[C@H](NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(OC(F)(F)F)c1 ZINC000372065976 458181443 /nfs/dbraw/zinc/18/14/43/458181443.db2.gz UVPXFTXQPBQDPU-BJJXKVORSA-N 2 1 344.377 3.099 20 0 EGADMP CCn1ccnc1C[N@@H+](CCc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435697813 458186435 /nfs/dbraw/zinc/18/64/35/458186435.db2.gz ZISWMUUBASQLQN-LJQANCHMSA-N 2 1 338.499 3.090 20 0 EGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1)CC(C)C ZINC000358746740 458188662 /nfs/dbraw/zinc/18/86/62/458188662.db2.gz QSGQSIQBOLCGJD-HXUWFJFHSA-N 2 1 345.531 3.293 20 0 EGADMP CC(C)n1nccc1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000376147279 458213070 /nfs/dbraw/zinc/21/30/70/458213070.db2.gz GZVXSHBJTCJDAY-HXUWFJFHSA-N 2 1 326.488 3.466 20 0 EGADMP CC(C)n1nccc1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000376147279 458213075 /nfs/dbraw/zinc/21/30/75/458213075.db2.gz GZVXSHBJTCJDAY-HXUWFJFHSA-N 2 1 326.488 3.466 20 0 EGADMP CC1(C)CN(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCCCC2)CCO1 ZINC000372205860 458232007 /nfs/dbraw/zinc/23/20/07/458232007.db2.gz XVIIVUKBDJTASW-OALUTQOASA-N 2 1 349.563 3.017 20 0 EGADMP CC1(C)C[N@@H+](C2(CN[C@H]3CC[NH+]4CCC[C@H]4C3)CCCCC2)CCO1 ZINC000372205860 458232011 /nfs/dbraw/zinc/23/20/11/458232011.db2.gz XVIIVUKBDJTASW-OALUTQOASA-N 2 1 349.563 3.017 20 0 EGADMP CC1(C)C[N@H+](C2(CN[C@H]3CC[NH+]4CCC[C@H]4C3)CCCCC2)CCO1 ZINC000372205860 458232016 /nfs/dbraw/zinc/23/20/16/458232016.db2.gz XVIIVUKBDJTASW-OALUTQOASA-N 2 1 349.563 3.017 20 0 EGADMP CC1(C)C[NH+](C2(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)CCCCC2)CCO1 ZINC000372205860 458232020 /nfs/dbraw/zinc/23/20/20/458232020.db2.gz XVIIVUKBDJTASW-OALUTQOASA-N 2 1 349.563 3.017 20 0 EGADMP CC1(C)C[NH+](C2(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)CCCCC2)CCO1 ZINC000372205860 458232027 /nfs/dbraw/zinc/23/20/27/458232027.db2.gz XVIIVUKBDJTASW-OALUTQOASA-N 2 1 349.563 3.017 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000446968244 458251096 /nfs/dbraw/zinc/25/10/96/458251096.db2.gz YNDHOHNXEFMCSR-INMHGKMJSA-N 2 1 349.544 3.287 20 0 EGADMP C[C@H]1C[C@H]1[N@H+]1CCN(Cc2cncn2Cc2ccccc2)C[C@@H](C)C1 ZINC000429027448 458261435 /nfs/dbraw/zinc/26/14/35/458261435.db2.gz ZRMMAUPSUJPKOT-LVCYWYKZSA-N 2 1 338.499 3.094 20 0 EGADMP C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372359294 458289041 /nfs/dbraw/zinc/28/90/41/458289041.db2.gz UQFHIFVMPFXRMR-BVYCBKJFSA-N 2 1 338.495 3.090 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc2cccnc2s1 ZINC000429254983 458300697 /nfs/dbraw/zinc/30/06/97/458300697.db2.gz OBCUFOWOVPHIFH-UHFFFAOYSA-N 2 1 329.473 3.362 20 0 EGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc2cccnc2s1 ZINC000429254983 458300701 /nfs/dbraw/zinc/30/07/01/458300701.db2.gz OBCUFOWOVPHIFH-UHFFFAOYSA-N 2 1 329.473 3.362 20 0 EGADMP c1cc2[nH+]ccc(N3CCC(CC[NH+]4CCOCC4)CC3)c2s1 ZINC000369671761 458312439 /nfs/dbraw/zinc/31/24/39/458312439.db2.gz IPVYCMWZAYEJKO-UHFFFAOYSA-N 2 1 331.485 3.235 20 0 EGADMP C[C@@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1cccc(Cl)c1 ZINC000372677084 458315484 /nfs/dbraw/zinc/31/54/84/458315484.db2.gz SNBUTHZZNQOXHB-QFBILLFUSA-N 2 1 335.923 3.155 20 0 EGADMP C[C@@H](C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1cccc(Cl)c1 ZINC000372677084 458315488 /nfs/dbraw/zinc/31/54/88/458315488.db2.gz SNBUTHZZNQOXHB-QFBILLFUSA-N 2 1 335.923 3.155 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000429692755 458358900 /nfs/dbraw/zinc/35/89/00/458358900.db2.gz WCJUBDYVBPFWQC-MRXNPFEDSA-N 2 1 327.472 3.413 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000429692755 458358902 /nfs/dbraw/zinc/35/89/02/458358902.db2.gz WCJUBDYVBPFWQC-MRXNPFEDSA-N 2 1 327.472 3.413 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000429692755 458358903 /nfs/dbraw/zinc/35/89/03/458358903.db2.gz WCJUBDYVBPFWQC-MRXNPFEDSA-N 2 1 327.472 3.413 20 0 EGADMP Cc1cc(F)c(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(Cl)c1 ZINC000459412780 458362025 /nfs/dbraw/zinc/36/20/25/458362025.db2.gz RVLIJZOUFYLMFB-UHFFFAOYSA-N 2 1 341.902 3.151 20 0 EGADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000376671648 458365701 /nfs/dbraw/zinc/36/57/01/458365701.db2.gz LAJCQUYYSKOJEA-UHFFFAOYSA-N 2 1 338.499 3.489 20 0 EGADMP CCO[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)[C@H]1Sc1ccccc1 ZINC000459475926 458385655 /nfs/dbraw/zinc/38/56/55/458385655.db2.gz ZHJQOFMLVAKEQW-IPMKNSEASA-N 2 1 332.513 3.176 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Cl)c1OC ZINC000373067750 458390643 /nfs/dbraw/zinc/39/06/43/458390643.db2.gz INSGLYLUQPYTRR-CABCVRRESA-N 2 1 338.879 3.464 20 0 EGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(Cl)c1OC ZINC000373067750 458390646 /nfs/dbraw/zinc/39/06/46/458390646.db2.gz INSGLYLUQPYTRR-CABCVRRESA-N 2 1 338.879 3.464 20 0 EGADMP c1cc(N2CCC([NH2+]C[C@H]3CCC[N@H+]3C3CCCCC3)CC2)cc[nH+]1 ZINC000459546394 458406632 /nfs/dbraw/zinc/40/66/32/458406632.db2.gz UWUHQWKSODBMTG-OAQYLSRUSA-N 3 1 342.531 3.437 20 0 EGADMP c1cc(N2CCC([NH2+]C[C@H]3CCCN3C3CCCCC3)CC2)cc[nH+]1 ZINC000459546394 458406633 /nfs/dbraw/zinc/40/66/33/458406633.db2.gz UWUHQWKSODBMTG-OAQYLSRUSA-N 2 1 342.531 3.437 20 0 EGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3OCc3ccncc3)C2)C1 ZINC000430154289 458411363 /nfs/dbraw/zinc/41/13/63/458411363.db2.gz ZSFFPYXQRVPGRO-OAQYLSRUSA-N 2 1 337.467 3.188 20 0 EGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3OCc3ccncc3)C2)C1 ZINC000430154289 458411368 /nfs/dbraw/zinc/41/13/68/458411368.db2.gz ZSFFPYXQRVPGRO-OAQYLSRUSA-N 2 1 337.467 3.188 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3OCc3ccncc3)C2)C1 ZINC000430154289 458411374 /nfs/dbraw/zinc/41/13/74/458411374.db2.gz ZSFFPYXQRVPGRO-OAQYLSRUSA-N 2 1 337.467 3.188 20 0 EGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3OCc3ccncc3)C2)C1 ZINC000430154289 458411379 /nfs/dbraw/zinc/41/13/79/458411379.db2.gz ZSFFPYXQRVPGRO-OAQYLSRUSA-N 2 1 337.467 3.188 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC[C@@H](C)c3ccccc3)C2)CC1 ZINC000373207019 458430258 /nfs/dbraw/zinc/43/02/58/458430258.db2.gz CATXFAQCSSTVOP-CTNGQTDRSA-N 2 1 329.532 3.281 20 0 EGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3)[C@@H](C)C1 ZINC000423435924 458432703 /nfs/dbraw/zinc/43/27/03/458432703.db2.gz DYCZMMMFWQUPBD-FXAWDEMLSA-N 2 1 345.531 3.271 20 0 EGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423444954 458434984 /nfs/dbraw/zinc/43/49/84/458434984.db2.gz RQIGPVYDBSXDJE-ZOCIIQOWSA-N 2 1 339.483 3.419 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423477756 458438491 /nfs/dbraw/zinc/43/84/91/458438491.db2.gz KISFRUBFNXRSMD-LRSLUSHPSA-N 3 1 341.543 3.409 20 0 EGADMP FC(F)(F)Oc1cccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CC2)c1 ZINC000423492718 458442041 /nfs/dbraw/zinc/44/20/41/458442041.db2.gz OJLFADLDQHNWKW-CVEARBPZSA-N 2 1 344.377 3.004 20 0 EGADMP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423491406 458442281 /nfs/dbraw/zinc/44/22/81/458442281.db2.gz JOCMRSVFKMGGSH-OUCADQQQSA-N 2 1 347.286 3.117 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000459721724 458456885 /nfs/dbraw/zinc/45/68/85/458456885.db2.gz ARHLJVURHWAJLL-QUCCMNQESA-N 2 1 332.488 3.066 20 0 EGADMP CCOc1c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)nn1CC(C)C ZINC000459722411 458456894 /nfs/dbraw/zinc/45/68/94/458456894.db2.gz BHEULKNMBRWKQZ-KRWDZBQOSA-N 2 1 336.524 3.068 20 0 EGADMP COc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1OC(F)F ZINC000459724452 458458309 /nfs/dbraw/zinc/45/83/09/458458309.db2.gz DSDBFPHQRKSLCJ-CYBMUJFWSA-N 2 1 328.403 3.118 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000430547835 458459858 /nfs/dbraw/zinc/45/98/58/458459858.db2.gz AQBOSQJYDFBUEZ-LJQANCHMSA-N 2 1 331.504 3.118 20 0 EGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000430547835 458459861 /nfs/dbraw/zinc/45/98/61/458459861.db2.gz AQBOSQJYDFBUEZ-LJQANCHMSA-N 2 1 331.504 3.118 20 0 EGADMP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)n2)cc1F ZINC000430571090 458463860 /nfs/dbraw/zinc/46/38/60/458463860.db2.gz LDVOZMYSWTUKNC-GDBMZVCRSA-N 2 1 346.450 3.176 20 0 EGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000430578786 458465812 /nfs/dbraw/zinc/46/58/12/458465812.db2.gz XPJMDYKHHPWLHS-LPHOPBHVSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000430586066 458466884 /nfs/dbraw/zinc/46/68/84/458466884.db2.gz XXDKBEZKEUTCJZ-XYJFISCASA-N 2 1 339.483 3.076 20 0 EGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000430586066 458466890 /nfs/dbraw/zinc/46/68/90/458466890.db2.gz XXDKBEZKEUTCJZ-XYJFISCASA-N 2 1 339.483 3.076 20 0 EGADMP CN(C[C@H](O)C[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1)C1CC1 ZINC000459758522 458470844 /nfs/dbraw/zinc/47/08/44/458470844.db2.gz VLGNGDHLRPXOQZ-VQTJNVASSA-N 2 1 328.500 3.449 20 0 EGADMP CN(C[C@H](O)C[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1)C1CC1 ZINC000459758522 458470848 /nfs/dbraw/zinc/47/08/48/458470848.db2.gz VLGNGDHLRPXOQZ-VQTJNVASSA-N 2 1 328.500 3.449 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000459794422 458481265 /nfs/dbraw/zinc/48/12/65/458481265.db2.gz USLYSHWBPVCIJU-OAHLLOKOSA-N 2 1 337.458 3.255 20 0 EGADMP [NH3+]C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430936432 458507891 /nfs/dbraw/zinc/50/78/91/458507891.db2.gz YLXUBAMFHPHUOV-MRXNPFEDSA-N 2 1 339.439 3.088 20 0 EGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)C1CCCCCC1)c1ccccc1 ZINC000460385655 458515545 /nfs/dbraw/zinc/51/55/45/458515545.db2.gz GPTDRMRKWAAIHM-LJQANCHMSA-N 2 1 331.504 3.060 20 0 EGADMP CCC[N@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C1CC[NH2+]CC1 ZINC000431079398 458526720 /nfs/dbraw/zinc/52/67/20/458526720.db2.gz AJKUJFOJQMUVAE-UHFFFAOYSA-N 2 1 345.531 3.278 20 0 EGADMP CCC[N@@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C1CC[NH2+]CC1 ZINC000431079398 458526725 /nfs/dbraw/zinc/52/67/25/458526725.db2.gz AJKUJFOJQMUVAE-UHFFFAOYSA-N 2 1 345.531 3.278 20 0 EGADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424169784 458576530 /nfs/dbraw/zinc/57/65/30/458576530.db2.gz HJFUHNIKMKWFHW-GUDVDZBRSA-N 2 1 335.536 3.007 20 0 EGADMP CC1CC[NH+](CCN2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000493868717 458592298 /nfs/dbraw/zinc/59/22/98/458592298.db2.gz AAKAFMZJWMHWLA-HXUWFJFHSA-N 2 1 329.532 3.315 20 0 EGADMP COCC[NH+]1CCC([NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424262337 458595573 /nfs/dbraw/zinc/59/55/73/458595573.db2.gz FWPFFHDHQNUYIT-GOSISDBHSA-N 2 1 345.512 3.127 20 0 EGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(OC[C@H]3CCCO3)cc1)CC[NH2+]CC2 ZINC000424282678 458603048 /nfs/dbraw/zinc/60/30/48/458603048.db2.gz AACXMPUKEQNHTF-YLJYHZDGSA-N 2 1 344.499 3.208 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1ncc(-c3ccccc3F)o1)CC[NH2+]CC2 ZINC000424287430 458603461 /nfs/dbraw/zinc/60/34/61/458603461.db2.gz ITQPHMQZNPSZSP-AWEZNQCLSA-N 2 1 329.419 3.445 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1csc(Nc3ccccc3)n1)CC[NH2+]CC2 ZINC000424285135 458603586 /nfs/dbraw/zinc/60/35/86/458603586.db2.gz FFCUPHZPGBBQQJ-HNNXBMFYSA-N 2 1 342.512 3.273 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(Br)s1)CC[NH2+]CC2 ZINC000424302000 458611087 /nfs/dbraw/zinc/61/10/87/458611087.db2.gz YQQINUZLGBVGTA-NSHDSACASA-N 2 1 329.307 3.475 20 0 EGADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)cc2cccnc21 ZINC000424331231 458617185 /nfs/dbraw/zinc/61/71/85/458617185.db2.gz JHFOVWHJUDBPOZ-HUUCEWRRSA-N 2 1 334.261 3.357 20 0 EGADMP Cc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(-c2ccnn2C)c1 ZINC000424371287 458627301 /nfs/dbraw/zinc/62/73/01/458627301.db2.gz DKVMEMXBBDSTEZ-KRWDZBQOSA-N 2 1 338.499 3.360 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1c[nH]nc1-c1ccccc1F)CC[NH2+]CC2 ZINC000424383266 458629766 /nfs/dbraw/zinc/62/97/66/458629766.db2.gz TVQIYJCFWBABIQ-AWEZNQCLSA-N 2 1 328.435 3.180 20 0 EGADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424387615 458631494 /nfs/dbraw/zinc/63/14/94/458631494.db2.gz YRGTVQVUIKFNDF-OAHLLOKOSA-N 2 1 340.471 3.049 20 0 EGADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000456347446 458638545 /nfs/dbraw/zinc/63/85/45/458638545.db2.gz JVMWABPVAZSEIU-LJQANCHMSA-N 2 1 331.504 3.085 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000439000824 458640627 /nfs/dbraw/zinc/64/06/27/458640627.db2.gz XGDVDMSODFTUMV-WBVHZDCISA-N 2 1 347.503 3.425 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000439000824 458640629 /nfs/dbraw/zinc/64/06/29/458640629.db2.gz XGDVDMSODFTUMV-WBVHZDCISA-N 2 1 347.503 3.425 20 0 EGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000439000824 458640633 /nfs/dbraw/zinc/64/06/33/458640633.db2.gz XGDVDMSODFTUMV-WBVHZDCISA-N 2 1 347.503 3.425 20 0 EGADMP Cc1cc(C[NH3+])cc(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000424432123 458643337 /nfs/dbraw/zinc/64/33/37/458643337.db2.gz BKDJWVRWYGMAHJ-CALCHBBNSA-N 2 1 346.519 3.333 20 0 EGADMP CC(C)c1cc(NCCCC[N@H+]2CCCC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000462791825 458654943 /nfs/dbraw/zinc/65/49/43/458654943.db2.gz RYAFBTMXGROGFZ-MRXNPFEDSA-N 2 1 333.524 3.154 20 0 EGADMP Cc1cc(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000462826584 458659932 /nfs/dbraw/zinc/65/99/32/458659932.db2.gz QIQKBXZLEXUFSF-CABCVRRESA-N 2 1 347.890 3.396 20 0 EGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000503865973 458726353 /nfs/dbraw/zinc/72/63/53/458726353.db2.gz YGJWBRBGVANDTI-SXLOBPIMSA-N 2 1 345.531 3.180 20 0 EGADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000471780049 458729309 /nfs/dbraw/zinc/72/93/09/458729309.db2.gz KJOQINBWKUOMFA-SLFFLAALSA-N 2 1 330.516 3.428 20 0 EGADMP CSc1ccccc1C[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432423047 458738165 /nfs/dbraw/zinc/73/81/65/458738165.db2.gz WLWYBJCCSPYSKW-DLBZAZTESA-N 2 1 336.545 3.430 20 0 EGADMP CSc1ccccc1C[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432423047 458738168 /nfs/dbraw/zinc/73/81/68/458738168.db2.gz WLWYBJCCSPYSKW-DLBZAZTESA-N 2 1 336.545 3.430 20 0 EGADMP Cc1ccc(C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C2CC2)cc1 ZINC000432426980 458738977 /nfs/dbraw/zinc/73/89/77/458738977.db2.gz WEZFUKOANMYVFX-WIYYLYMNSA-N 2 1 330.516 3.407 20 0 EGADMP Cc1ccc(C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C2CC2)cc1 ZINC000432426980 458738982 /nfs/dbraw/zinc/73/89/82/458738982.db2.gz WEZFUKOANMYVFX-WIYYLYMNSA-N 2 1 330.516 3.407 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH+](C)Cc1ccccc1 ZINC000439956517 458770427 /nfs/dbraw/zinc/77/04/27/458770427.db2.gz MIFMPPWQXTTWDM-FXAWDEMLSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000439956517 458770432 /nfs/dbraw/zinc/77/04/32/458770432.db2.gz MIFMPPWQXTTWDM-FXAWDEMLSA-N 2 1 343.515 3.030 20 0 EGADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000439956517 458770440 /nfs/dbraw/zinc/77/04/40/458770440.db2.gz MIFMPPWQXTTWDM-FXAWDEMLSA-N 2 1 343.515 3.030 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000547736436 458781525 /nfs/dbraw/zinc/78/15/25/458781525.db2.gz TTXPKCUMLPMGQG-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000547736436 458781531 /nfs/dbraw/zinc/78/15/31/458781531.db2.gz TTXPKCUMLPMGQG-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000547736436 458781535 /nfs/dbraw/zinc/78/15/35/458781535.db2.gz TTXPKCUMLPMGQG-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)([NH+](C)C)C1 ZINC000440114706 458782535 /nfs/dbraw/zinc/78/25/35/458782535.db2.gz YYLNYLYZCVBXIY-IMFGXOCKSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([N@@H+](C)CCCNC(=O)C2CCC2)CC1 ZINC000432800873 458790427 /nfs/dbraw/zinc/79/04/27/458790427.db2.gz RNTJHQASIDIRFY-FXAWDEMLSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000530714371 458816856 /nfs/dbraw/zinc/81/68/56/458816856.db2.gz RKLYQTYWSQSPIO-MOPGFXCFSA-N 2 1 345.535 3.067 20 0 EGADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000495605589 458896292 /nfs/dbraw/zinc/89/62/92/458896292.db2.gz WDWKIMPTHKEOEA-MSOLQXFVSA-N 2 1 347.503 3.360 20 0 EGADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCc1c[nH+]cn1C ZINC000518828802 458896451 /nfs/dbraw/zinc/89/64/51/458896451.db2.gz RIAORLXCVYIGAP-NSHDSACASA-N 2 1 340.240 3.085 20 0 EGADMP Cc1cccc(C)c1OCCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000441271432 458907864 /nfs/dbraw/zinc/90/78/64/458907864.db2.gz XYYAOJIVRPMKLX-HSALFYBXSA-N 2 1 346.515 3.256 20 0 EGADMP CCC[C@H](NC(=O)CN(C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000441336935 458921913 /nfs/dbraw/zinc/92/19/13/458921913.db2.gz IGUVCMIJDVUAAF-PMACEKPBSA-N 2 1 345.531 3.450 20 0 EGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495711238 458927563 /nfs/dbraw/zinc/92/75/63/458927563.db2.gz JFEZPZQCYBDEGN-SJORKVTESA-N 2 1 339.524 3.050 20 0 EGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000476202402 458984878 /nfs/dbraw/zinc/98/48/78/458984878.db2.gz ZEGFEECFKXMMEI-MRXNPFEDSA-N 2 1 325.541 3.124 20 0 EGADMP COc1ccccc1C[N@H+](CCCc1c[nH+]cn1C)C[C@H]1CCCO1 ZINC000566863389 459012541 /nfs/dbraw/zinc/01/25/41/459012541.db2.gz VVDWXYBDLRBUIP-LJQANCHMSA-N 2 1 343.471 3.043 20 0 EGADMP COc1ccccc1C[N@@H+](CCCc1c[nH+]cn1C)C[C@H]1CCCO1 ZINC000566863389 459012548 /nfs/dbraw/zinc/01/25/48/459012548.db2.gz VVDWXYBDLRBUIP-LJQANCHMSA-N 2 1 343.471 3.043 20 0 EGADMP OC1CC(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000556876604 459025661 /nfs/dbraw/zinc/02/56/61/459025661.db2.gz CTYNAVUBSYGLLS-DHCGTZGXSA-N 2 1 342.527 3.428 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000532166931 459041021 /nfs/dbraw/zinc/04/10/21/459041021.db2.gz XSCLOLQPNMVUCV-AZUAARDMSA-N 2 1 338.536 3.159 20 0 EGADMP Cc1ccc(C[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C(C)C)cc1 ZINC000442872192 459048363 /nfs/dbraw/zinc/04/83/63/459048363.db2.gz HOIATZACVLXFAC-HXUWFJFHSA-N 2 1 331.548 3.178 20 0 EGADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442879971 459049691 /nfs/dbraw/zinc/04/96/91/459049691.db2.gz XOCCTGQZSMTHRZ-SFHVURJKSA-N 2 1 331.548 3.358 20 0 EGADMP Cc1ccc(CSCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000594489543 459057958 /nfs/dbraw/zinc/05/79/58/459057958.db2.gz BTBVTMIRDHNXKR-IBGZPJMESA-N 2 1 334.529 3.071 20 0 EGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000442921045 459061935 /nfs/dbraw/zinc/06/19/35/459061935.db2.gz MLEAKBISJIGVFY-KRWDZBQOSA-N 2 1 325.456 3.221 20 0 EGADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)C(C)(C)C ZINC000478185052 459081001 /nfs/dbraw/zinc/08/10/01/459081001.db2.gz XFSRFSXNASIDDS-WMZOPIPTSA-N 2 1 349.494 3.277 20 0 EGADMP Cc1sc2[nH]c([C@H](C)[N@@H+]3CCC[C@H](CC[NH3+])C3)nc(=O)c2c1C ZINC000443068910 459082823 /nfs/dbraw/zinc/08/28/23/459082823.db2.gz IWOFUROCBZYAKM-WCQYABFASA-N 2 1 334.489 3.136 20 0 EGADMP Cc1sc2[nH]c([C@H](C)[N@H+]3CCC[C@H](CC[NH3+])C3)nc(=O)c2c1C ZINC000443068910 459082827 /nfs/dbraw/zinc/08/28/27/459082827.db2.gz IWOFUROCBZYAKM-WCQYABFASA-N 2 1 334.489 3.136 20 0 EGADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000496272581 459131181 /nfs/dbraw/zinc/13/11/81/459131181.db2.gz HOOWNCLQIOHQJH-QBPKDAKJSA-N 2 1 341.540 3.388 20 0 EGADMP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2ncccc2C(F)(F)F)c2ccccc21 ZINC000567647773 459138928 /nfs/dbraw/zinc/13/89/28/459138928.db2.gz YZAZCOZAUZNZTK-LSDHHAIUSA-N 2 1 337.345 3.214 20 0 EGADMP COc1ncc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000532778061 459142563 /nfs/dbraw/zinc/14/25/63/459142563.db2.gz JPNNQXFSSAHQFY-RHSMWYFYSA-N 2 1 335.879 3.192 20 0 EGADMP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000567700434 459149787 /nfs/dbraw/zinc/14/97/87/459149787.db2.gz LYQHZEYGGURDKP-INIZCTEOSA-N 2 1 344.421 3.028 20 0 EGADMP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000567700434 459149791 /nfs/dbraw/zinc/14/97/91/459149791.db2.gz LYQHZEYGGURDKP-INIZCTEOSA-N 2 1 344.421 3.028 20 0 EGADMP CC[N@H+](CC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1)C(C)C ZINC000496350829 459161004 /nfs/dbraw/zinc/16/10/04/459161004.db2.gz OZROTDKTFFLRHP-SFHVURJKSA-N 2 1 347.503 3.360 20 0 EGADMP CC[N@@H+](CC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1)C(C)C ZINC000496350829 459161006 /nfs/dbraw/zinc/16/10/06/459161006.db2.gz OZROTDKTFFLRHP-SFHVURJKSA-N 2 1 347.503 3.360 20 0 EGADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000521640655 459170115 /nfs/dbraw/zinc/17/01/15/459170115.db2.gz ZQWBLNNGRGSVIR-COXVUDFISA-N 2 1 344.421 3.401 20 0 EGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000521640655 459170120 /nfs/dbraw/zinc/17/01/20/459170120.db2.gz ZQWBLNNGRGSVIR-COXVUDFISA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000521640655 459170124 /nfs/dbraw/zinc/17/01/24/459170124.db2.gz ZQWBLNNGRGSVIR-COXVUDFISA-N 2 1 344.421 3.401 20 0 EGADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000521640655 459170131 /nfs/dbraw/zinc/17/01/31/459170131.db2.gz ZQWBLNNGRGSVIR-COXVUDFISA-N 2 1 344.421 3.401 20 0 EGADMP C[C@H]([NH2+][C@H]1CCC12CCOCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000558619475 459181256 /nfs/dbraw/zinc/18/12/56/459181256.db2.gz UEDHGZYBGDTDQV-IHPCNDPISA-N 2 1 328.500 3.446 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCCC2=CCCCC2)CC1 ZINC000590787314 459218627 /nfs/dbraw/zinc/21/86/27/459218627.db2.gz ZLOQTWFBDRIZKQ-SFHVURJKSA-N 2 1 349.563 3.434 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000590787113 459219048 /nfs/dbraw/zinc/21/90/48/459219048.db2.gz SEZUPMAQAMFZOR-HNNXBMFYSA-N 2 1 335.467 3.205 20 0 EGADMP CCC[N@@H+](CCCc1cncn1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000578545410 459219783 /nfs/dbraw/zinc/21/97/83/459219783.db2.gz PUOVZQGMUAPFRX-KRWDZBQOSA-N 2 1 342.487 3.482 20 0 EGADMP CCC[N@H+](CCCc1c[nH+]cn1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000578545410 459219788 /nfs/dbraw/zinc/21/97/88/459219788.db2.gz PUOVZQGMUAPFRX-KRWDZBQOSA-N 2 1 342.487 3.482 20 0 EGADMP CCC[N@@H+](CCCc1c[nH+]cn1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000578545410 459219793 /nfs/dbraw/zinc/21/97/93/459219793.db2.gz PUOVZQGMUAPFRX-KRWDZBQOSA-N 2 1 342.487 3.482 20 0 EGADMP C[C@H](CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)C[NH+]1CCCCC1 ZINC000480906220 459223774 /nfs/dbraw/zinc/22/37/74/459223774.db2.gz XRDGBWARDGBGHB-MOPGFXCFSA-N 2 1 347.547 3.400 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)N1CCC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000590809696 459228870 /nfs/dbraw/zinc/22/88/70/459228870.db2.gz KTQZJQSUQROLFD-SFHVURJKSA-N 2 1 331.504 3.012 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000590809696 459228875 /nfs/dbraw/zinc/22/88/75/459228875.db2.gz KTQZJQSUQROLFD-SFHVURJKSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000590809696 459228882 /nfs/dbraw/zinc/22/88/82/459228882.db2.gz KTQZJQSUQROLFD-SFHVURJKSA-N 2 1 331.504 3.012 20 0 EGADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000590809696 459228887 /nfs/dbraw/zinc/22/88/87/459228887.db2.gz KTQZJQSUQROLFD-SFHVURJKSA-N 2 1 331.504 3.012 20 0 EGADMP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000496568364 459242603 /nfs/dbraw/zinc/24/26/03/459242603.db2.gz GVEUGIUMYPJJNJ-WCXIOVBPSA-N 2 1 339.524 3.094 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2c(F)cccc2F)[C@@H](C)C1 ZINC000481315817 459244811 /nfs/dbraw/zinc/24/48/11/459244811.db2.gz RRUPPMJKTJJOHC-KXBFYZLASA-N 2 1 340.458 3.234 20 0 EGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000533865795 459274202 /nfs/dbraw/zinc/27/42/02/459274202.db2.gz AZRQEOBNONMLDK-NVXWUHKLSA-N 2 1 348.450 3.390 20 0 EGADMP CC(C)c1nnc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)[nH]1 ZINC000559790522 459277543 /nfs/dbraw/zinc/27/75/43/459277543.db2.gz YBTBYSPCACTGGY-USXIJHARSA-N 2 1 327.476 3.414 20 0 EGADMP Cc1cc2[nH]c(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cc2c(C)c1 ZINC000481985187 459284517 /nfs/dbraw/zinc/28/45/17/459284517.db2.gz XBMQEZSKZUEWPD-JRGCBEDISA-N 2 1 341.499 3.468 20 0 EGADMP Cc1cc2[nH]c(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cc2c(C)c1 ZINC000481985187 459284523 /nfs/dbraw/zinc/28/45/23/459284523.db2.gz XBMQEZSKZUEWPD-JRGCBEDISA-N 2 1 341.499 3.468 20 0 EGADMP Cc1ccc(OC[C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000582117300 459310634 /nfs/dbraw/zinc/31/06/34/459310634.db2.gz LCULNXAZGULDJE-UYAOXDASSA-N 2 1 348.531 3.145 20 0 EGADMP Fc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000582122820 459312795 /nfs/dbraw/zinc/31/27/95/459312795.db2.gz DGQLIMHENSYWBC-JKSUJKDBSA-N 2 1 329.419 3.302 20 0 EGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000524156193 459349381 /nfs/dbraw/zinc/34/93/81/459349381.db2.gz SZBQEBXGHYXJQG-AOIWGVFYSA-N 2 1 337.552 3.122 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C)c(OC)c2)[C@@H](C)C1 ZINC000484142924 459407003 /nfs/dbraw/zinc/40/70/03/459407003.db2.gz JIDWTSPNAIECNM-ICSRJNTNSA-N 2 1 348.531 3.273 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@H](C)CCCC(C)C)C[C@H]1C ZINC000484907116 459434911 /nfs/dbraw/zinc/43/49/11/459434911.db2.gz IVEBORUPYDAFHO-KURKYZTESA-N 2 1 325.541 3.122 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497121155 459448269 /nfs/dbraw/zinc/44/82/69/459448269.db2.gz WJMDGWMZICUPKC-GVDBMIGSSA-N 2 1 339.524 3.096 20 0 EGADMP C[NH2+]Cc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000583013435 459467755 /nfs/dbraw/zinc/46/77/55/459467755.db2.gz ZYEJKAIBWQDGHE-NVXWUHKLSA-N 2 1 344.503 3.181 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000569592376 459477521 /nfs/dbraw/zinc/47/75/21/459477521.db2.gz IXRSPLCEEADWCI-HLLBOEOZSA-N 3 1 330.520 3.152 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000569592376 459477527 /nfs/dbraw/zinc/47/75/27/459477527.db2.gz IXRSPLCEEADWCI-HLLBOEOZSA-N 2 1 330.520 3.152 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000569592376 459477530 /nfs/dbraw/zinc/47/75/30/459477530.db2.gz IXRSPLCEEADWCI-HLLBOEOZSA-N 2 1 330.520 3.152 20 0 EGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497238480 459498218 /nfs/dbraw/zinc/49/82/18/459498218.db2.gz YJQIKPRTLJGXKM-YESZJQIVSA-N 2 1 339.524 3.096 20 0 EGADMP C[N@@H+](Cc1ccccc1CNC(=O)CC[NH2+]C1CC1)C1CCCCC1 ZINC000583214489 459504036 /nfs/dbraw/zinc/50/40/36/459504036.db2.gz VPVRNAXUQWDVKC-UHFFFAOYSA-N 2 1 343.515 3.209 20 0 EGADMP O[C@H](C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)C1CCCCC1 ZINC000562061015 459508227 /nfs/dbraw/zinc/50/82/27/459508227.db2.gz DESXQROPHUZUAA-BHDDXSALSA-N 2 1 342.527 3.382 20 0 EGADMP O[C@H](C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CCCCC1 ZINC000562061015 459508233 /nfs/dbraw/zinc/50/82/33/459508233.db2.gz DESXQROPHUZUAA-BHDDXSALSA-N 2 1 342.527 3.382 20 0 EGADMP O[C@H](C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CCCCC1 ZINC000562061015 459508238 /nfs/dbraw/zinc/50/82/38/459508238.db2.gz DESXQROPHUZUAA-BHDDXSALSA-N 2 1 342.527 3.382 20 0 EGADMP CCC[C@@H]1CCCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000583390009 459531010 /nfs/dbraw/zinc/53/10/10/459531010.db2.gz CFSSDYFVPTVQLN-GOSISDBHSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000583617011 459568522 /nfs/dbraw/zinc/56/85/22/459568522.db2.gz JBUFODLFZLJABX-JSGCOSHPSA-N 2 1 332.473 3.323 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000592450477 459601916 /nfs/dbraw/zinc/60/19/16/459601916.db2.gz CPWHGMOKECBFNU-QZTJIDSGSA-N 2 1 345.531 3.123 20 0 EGADMP CSc1ccc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)s1 ZINC000572985967 459607329 /nfs/dbraw/zinc/60/73/29/459607329.db2.gz XGPUHAVDIMUALX-AWEZNQCLSA-N 2 1 326.531 3.157 20 0 EGADMP C[C@H]1C[C@@H](C[N@H+]2CCc3ccc(F)c(Br)c3C2)CC[NH2+]1 ZINC000527617432 459670737 /nfs/dbraw/zinc/67/07/37/459670737.db2.gz KZUYDPAZDUTRQX-RYUDHWBXSA-N 2 1 341.268 3.334 20 0 EGADMP c1ccc(C[N@H+]2CCCO[C@@H](CSCC3CC[NH2+]CC3)C2)cc1 ZINC000563080199 459712182 /nfs/dbraw/zinc/71/21/82/459712182.db2.gz KCSUMPDCVALMLK-LJQANCHMSA-N 2 1 334.529 3.010 20 0 EGADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)Nc1ccn2ccnc2c1 ZINC000584440010 459737263 /nfs/dbraw/zinc/73/72/63/459737263.db2.gz XXYJLCYIXKFYHM-GOSISDBHSA-N 2 1 349.438 3.120 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)CC[C@H]3CCC[N@H+]3C)C2)s1 ZINC000563214698 459740265 /nfs/dbraw/zinc/74/02/65/459740265.db2.gz CVRKRXICARLHIW-ZWKOTPCHSA-N 2 1 335.561 3.295 20 0 EGADMP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CC[C@H]3CCC[NH+]3C)C2)s1 ZINC000563214698 459740272 /nfs/dbraw/zinc/74/02/72/459740272.db2.gz CVRKRXICARLHIW-ZWKOTPCHSA-N 2 1 335.561 3.295 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CC[C@H]3CCC[NH+]3C)C2)s1 ZINC000563214698 459740279 /nfs/dbraw/zinc/74/02/79/459740279.db2.gz CVRKRXICARLHIW-ZWKOTPCHSA-N 2 1 335.561 3.295 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCC[C@H](C)CC3)CC2)CC1 ZINC000573860741 459746903 /nfs/dbraw/zinc/74/69/03/459746903.db2.gz AOFLJMKWAJOQHR-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CC[C@@H]4CCCOC4)[C@H]3C2)cc1 ZINC000527925914 459774007 /nfs/dbraw/zinc/77/40/07/459774007.db2.gz KFUFAIRUGFYIBY-TUFLPTIASA-N 2 1 328.500 3.303 20 0 EGADMP Cc1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)n1C ZINC000574100424 459779759 /nfs/dbraw/zinc/77/97/59/459779759.db2.gz YUULTVJXWWRACD-MRXNPFEDSA-N 2 1 326.488 3.393 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC45CC(C4)CO5)[C@H]3C2)cc1 ZINC000527981963 459787525 /nfs/dbraw/zinc/78/75/25/459787525.db2.gz PGCGGHWXKSKUPJ-ZLIDZYOXSA-N 2 1 326.484 3.056 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCc1cncn1C ZINC000584789318 459803431 /nfs/dbraw/zinc/80/34/31/459803431.db2.gz XJLCKRDIEKVYLD-WGMWDUQUSA-N 2 1 340.515 3.099 20 0 EGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(Oc3cnccn3)cc1)CC[NH2+]CC2 ZINC000574311381 459804768 /nfs/dbraw/zinc/80/47/68/459804768.db2.gz UWTQSYUELVXLTC-INIZCTEOSA-N 2 1 338.455 3.233 20 0 EGADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1C ZINC000566107864 459805883 /nfs/dbraw/zinc/80/58/83/459805883.db2.gz BIUANDSIMDTJJX-PMACEKPBSA-N 2 1 348.531 3.062 20 0 EGADMP CC[NH+](CC)[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccco1 ZINC000545309879 459823333 /nfs/dbraw/zinc/82/33/33/459823333.db2.gz MXMYRSIUIHGNQY-GOSISDBHSA-N 2 1 349.519 3.433 20 0 EGADMP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000545866816 459862865 /nfs/dbraw/zinc/86/28/65/459862865.db2.gz GQHKTQFFCHEATG-RXVVDRJESA-N 2 1 346.515 3.009 20 0 EGADMP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000545866816 459862871 /nfs/dbraw/zinc/86/28/71/459862871.db2.gz GQHKTQFFCHEATG-RXVVDRJESA-N 2 1 346.515 3.009 20 0 EGADMP CC(C)c1[nH+]c(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c2ccccn21 ZINC000574761066 459868580 /nfs/dbraw/zinc/86/85/80/459868580.db2.gz DIZZGXNRNSFOSJ-HXUWFJFHSA-N 2 1 326.488 3.375 20 0 EGADMP CC(C)c1[nH+]c(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c2ccccn21 ZINC000574761066 459868585 /nfs/dbraw/zinc/86/85/85/459868585.db2.gz DIZZGXNRNSFOSJ-HXUWFJFHSA-N 2 1 326.488 3.375 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)o1 ZINC000618407849 460002691 /nfs/dbraw/zinc/00/26/91/460002691.db2.gz PFJXXIZSGZYFGJ-UHFFFAOYSA-N 2 1 349.519 3.314 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000575850313 460017053 /nfs/dbraw/zinc/01/70/53/460017053.db2.gz ANNCEJCKOHHRSY-MRXNPFEDSA-N 2 1 330.451 3.140 20 0 EGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000575850313 460017056 /nfs/dbraw/zinc/01/70/56/460017056.db2.gz ANNCEJCKOHHRSY-MRXNPFEDSA-N 2 1 330.451 3.140 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C/C=C\c3ccc(F)c(F)c3)C2)CC1 ZINC000589167021 460043874 /nfs/dbraw/zinc/04/38/74/460043874.db2.gz FVXYVLXHJILYLR-JXCVUKRWSA-N 2 1 349.469 3.078 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc21 ZINC000621750199 460047666 /nfs/dbraw/zinc/04/76/66/460047666.db2.gz KPDWRFODVCUMML-FUHIMQAGSA-N 2 1 343.515 3.442 20 0 EGADMP CC(=O)N1CC[C@@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc21 ZINC000621750199 460047670 /nfs/dbraw/zinc/04/76/70/460047670.db2.gz KPDWRFODVCUMML-FUHIMQAGSA-N 2 1 343.515 3.442 20 0 EGADMP CCn1cc(CC[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000621775542 460059868 /nfs/dbraw/zinc/05/98/68/460059868.db2.gz RFBYMTFPTSTPQN-LEWJYISDSA-N 2 1 340.515 3.118 20 0 EGADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000576615887 460179285 /nfs/dbraw/zinc/17/92/85/460179285.db2.gz KYBGJICAQWBRQD-JKSUJKDBSA-N 2 1 340.458 3.376 20 0 EGADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000576615887 460179291 /nfs/dbraw/zinc/17/92/91/460179291.db2.gz KYBGJICAQWBRQD-JKSUJKDBSA-N 2 1 340.458 3.376 20 0 EGADMP CC(C)c1ccc(-c2noc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)n2)cc1 ZINC000576704353 460197205 /nfs/dbraw/zinc/19/72/05/460197205.db2.gz LYEJEAUXBMWSLB-BZSNNMDCSA-N 2 1 340.471 3.419 20 0 EGADMP CC(C)c1ccc(-c2noc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)n2)cc1 ZINC000576704353 460197210 /nfs/dbraw/zinc/19/72/10/460197210.db2.gz LYEJEAUXBMWSLB-BZSNNMDCSA-N 2 1 340.471 3.419 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000599311325 460224541 /nfs/dbraw/zinc/22/45/41/460224541.db2.gz OHFDRLVAHJTEGP-YLJYHZDGSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000599311325 460224543 /nfs/dbraw/zinc/22/45/43/460224543.db2.gz OHFDRLVAHJTEGP-YLJYHZDGSA-N 2 1 343.515 3.162 20 0 EGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000599311325 460224548 /nfs/dbraw/zinc/22/45/48/460224548.db2.gz OHFDRLVAHJTEGP-YLJYHZDGSA-N 2 1 343.515 3.162 20 0 EGADMP c1cc(CNc2nc(N3CCCC3)cc[nH+]2)cc(C[NH+]2CCCC2)c1 ZINC000603382062 460294211 /nfs/dbraw/zinc/29/42/11/460294211.db2.gz YCMSJJROIRMGAB-UHFFFAOYSA-N 2 1 337.471 3.285 20 0 EGADMP Cc1cc(NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cn2cc[nH+]c12 ZINC000615350360 460314229 /nfs/dbraw/zinc/31/42/29/460314229.db2.gz WFRIVYNNZXZUCP-IBGZPJMESA-N 2 1 348.450 3.461 20 0 EGADMP FC(F)(F)c1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000603517214 460314933 /nfs/dbraw/zinc/31/49/33/460314933.db2.gz JADWHKYTJARTHH-KRWDZBQOSA-N 2 1 342.405 3.438 20 0 EGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3C3CC3)C2)CC1 ZINC000611276214 460327463 /nfs/dbraw/zinc/32/74/63/460327463.db2.gz FHWSRAVDKPWTOW-FQEVSTJZSA-N 2 1 327.516 3.164 20 0 EGADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000615617656 460360411 /nfs/dbraw/zinc/36/04/11/460360411.db2.gz BKRXRNWBSBEGAZ-CTNGQTDRSA-N 2 1 343.515 3.014 20 0 EGADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000623086338 460407133 /nfs/dbraw/zinc/40/71/33/460407133.db2.gz LECFGTMUSIZMNI-HNNXBMFYSA-N 2 1 332.467 3.374 20 0 EGADMP C[N@H+]1CCC[C@H](N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)C1 ZINC000604390573 460417245 /nfs/dbraw/zinc/41/72/45/460417245.db2.gz YSQUPFCLMULYPB-SFHVURJKSA-N 2 1 347.506 3.468 20 0 EGADMP Cc1cc(C)c([C@@H](C)[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(C)c1 ZINC000604389369 460418626 /nfs/dbraw/zinc/41/86/26/460418626.db2.gz ZKEDRZZDTZRQOV-WOJBJXKFSA-N 2 1 329.532 3.385 20 0 EGADMP CC[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000631654569 460490683 /nfs/dbraw/zinc/49/06/83/460490683.db2.gz NISURAGTAXKSFD-SJORKVTESA-N 2 1 326.843 3.383 20 0 EGADMP CC(C)(C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000634721851 460493284 /nfs/dbraw/zinc/49/32/84/460493284.db2.gz GLYFHQDJOLVJHS-KRWDZBQOSA-N 2 1 344.421 3.192 20 0 EGADMP CC(C)(C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000634721851 460493287 /nfs/dbraw/zinc/49/32/87/460493287.db2.gz GLYFHQDJOLVJHS-KRWDZBQOSA-N 2 1 344.421 3.192 20 0 EGADMP Cc1ccc(F)c(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000604891739 460495841 /nfs/dbraw/zinc/49/58/41/460495841.db2.gz KXEMEYRWFKGMGV-SFHVURJKSA-N 2 1 347.503 3.274 20 0 EGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2nccc3ccccc32)C[C@H](C)O1 ZINC000607167377 460804087 /nfs/dbraw/zinc/80/40/87/460804087.db2.gz MCGIEXURUKMVSG-CALCHBBNSA-N 2 1 327.472 3.214 20 0 EGADMP COc1cccc(CCC[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629561889 460809313 /nfs/dbraw/zinc/80/93/13/460809313.db2.gz LDKWCYYYAMWCMM-ZBFHGGJFSA-N 2 1 330.394 3.087 20 0 EGADMP C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(Br)cn1 ZINC000624123544 460872989 /nfs/dbraw/zinc/87/29/89/460872989.db2.gz NWEWRPGQZUGOFD-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(Br)cn1 ZINC000624123544 460872996 /nfs/dbraw/zinc/87/29/96/460872996.db2.gz NWEWRPGQZUGOFD-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(Br)cn1 ZINC000624123544 460872999 /nfs/dbraw/zinc/87/29/99/460872999.db2.gz NWEWRPGQZUGOFD-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP C[NH+](C)Cc1ccc(F)c(-c2cccc(CN3CCC([NH3+])CC3)c2)c1 ZINC000629737586 460899146 /nfs/dbraw/zinc/89/91/46/460899146.db2.gz VQTNZCWNGRMHBS-UHFFFAOYSA-N 2 1 341.474 3.477 20 0 EGADMP CCCc1ccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)s1 ZINC000621331292 460991302 /nfs/dbraw/zinc/99/13/02/460991302.db2.gz ZOWAPPYBWYWECN-UHFFFAOYSA-N 2 1 344.528 3.137 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000621350368 461001749 /nfs/dbraw/zinc/00/17/49/461001749.db2.gz GRTDAZHRMKLBQX-SFHVURJKSA-N 2 1 325.456 3.092 20 0 EGADMP CCOc1cncc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000621350368 461001755 /nfs/dbraw/zinc/00/17/55/461001755.db2.gz GRTDAZHRMKLBQX-SFHVURJKSA-N 2 1 325.456 3.092 20 0 EGADMP Cc1cc(CN(C)CC[C@@H]2CCCC[N@H+]2C)ncc1Br ZINC000628183691 461034965 /nfs/dbraw/zinc/03/49/65/461034965.db2.gz KEOPNTJSGOLGRB-HNNXBMFYSA-N 2 1 340.309 3.459 20 0 EGADMP C[NH2+]C[C@H](C)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000658982205 461125146 /nfs/dbraw/zinc/12/51/46/461125146.db2.gz LADLWTKZILVOQF-HNNXBMFYSA-N 2 1 332.492 3.181 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350924 461144629 /nfs/dbraw/zinc/14/46/29/461144629.db2.gz WRBHIEJYEWONPA-WJPUGNRLSA-N 2 1 337.467 3.228 20 0 EGADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350924 461144635 /nfs/dbraw/zinc/14/46/35/461144635.db2.gz WRBHIEJYEWONPA-WJPUGNRLSA-N 2 1 337.467 3.228 20 0 EGADMP CCCCc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000652363173 461156637 /nfs/dbraw/zinc/15/66/37/461156637.db2.gz ZNFFWRVUEWBNPB-OIISXLGYSA-N 2 1 337.533 3.347 20 0 EGADMP CCCCc1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000652363173 461156646 /nfs/dbraw/zinc/15/66/46/461156646.db2.gz ZNFFWRVUEWBNPB-OIISXLGYSA-N 2 1 337.533 3.347 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCc2nsc3ccccc32)C1 ZINC000662282924 461165438 /nfs/dbraw/zinc/16/54/38/461165438.db2.gz DNECLNWCORAWDB-JLSDUUJJSA-N 2 1 345.512 3.200 20 0 EGADMP C[N@H+]1CCC[C@H]1CN1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000649546827 461166701 /nfs/dbraw/zinc/16/67/01/461166701.db2.gz BHPUVOXPTIZPTQ-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@H]1CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000649546827 461166707 /nfs/dbraw/zinc/16/67/07/461166707.db2.gz BHPUVOXPTIZPTQ-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP C[NH+]1CCC[C@H]1CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000649546827 461166711 /nfs/dbraw/zinc/16/67/11/461166711.db2.gz BHPUVOXPTIZPTQ-LEWJYISDSA-N 2 1 327.516 3.069 20 0 EGADMP Cc1ccccc1-c1noc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000662290747 461168098 /nfs/dbraw/zinc/16/80/98/461168098.db2.gz JKCIUQZUEXDTBE-QGZVFWFLSA-N 2 1 340.471 3.257 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000662293258 461170327 /nfs/dbraw/zinc/17/03/27/461170327.db2.gz FFIFRTOLFZFYGJ-MRXNPFEDSA-N 2 1 349.906 3.299 20 0 EGADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000662293258 461170335 /nfs/dbraw/zinc/17/03/35/461170335.db2.gz FFIFRTOLFZFYGJ-MRXNPFEDSA-N 2 1 349.906 3.299 20 0 EGADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1C ZINC000662294559 461173191 /nfs/dbraw/zinc/17/31/91/461173191.db2.gz QUJGXGDBHBUAJS-MJGOQNOKSA-N 2 1 343.515 3.342 20 0 EGADMP C[N@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)CC(C)(C)[NH3+] ZINC000662296236 461174458 /nfs/dbraw/zinc/17/44/58/461174458.db2.gz AKEMVKQJYJLQRM-SFHVURJKSA-N 2 1 345.512 3.013 20 0 EGADMP C[N@@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)CC(C)(C)[NH3+] ZINC000662296236 461174465 /nfs/dbraw/zinc/17/44/65/461174465.db2.gz AKEMVKQJYJLQRM-SFHVURJKSA-N 2 1 345.512 3.013 20 0 EGADMP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295807 461176231 /nfs/dbraw/zinc/17/62/31/461176231.db2.gz UQTFZYSXMHAZJM-MRXNPFEDSA-N 2 1 349.906 3.299 20 0 EGADMP Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1C ZINC000662314041 461186625 /nfs/dbraw/zinc/18/66/25/461186625.db2.gz LRFCZPADYDOGJQ-IMFGXOCKSA-N 2 1 345.531 3.320 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccccc2OCCCCO)C[C@H]1n1ccnc1 ZINC000638170077 461283365 /nfs/dbraw/zinc/28/33/65/461283365.db2.gz CLSZWDUIGIPHRN-PKOBYXMFSA-N 2 1 343.471 3.118 20 0 EGADMP CC[N@@H+](CCCNC(=O)Nc1ccc2c(c1)C[NH2+]C2)C1CCCCC1 ZINC000652611822 461299486 /nfs/dbraw/zinc/29/94/86/461299486.db2.gz YTCNTHGOPMRKEH-UHFFFAOYSA-N 2 1 344.503 3.456 20 0 EGADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3cc4c(s3)CC[NH2+]C4)c2C1 ZINC000662702882 461352322 /nfs/dbraw/zinc/35/23/22/461352322.db2.gz CTIIQIOFDVKVPR-UHFFFAOYSA-N 2 1 341.480 3.372 20 0 EGADMP CCC[N@H+]1Cc2cccc(NC(=O)c3cc4c(s3)CC[NH2+]C4)c2C1 ZINC000662702882 461352328 /nfs/dbraw/zinc/35/23/28/461352328.db2.gz CTIIQIOFDVKVPR-UHFFFAOYSA-N 2 1 341.480 3.372 20 0 EGADMP Cc1ccc(SCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655683017 461359729 /nfs/dbraw/zinc/35/97/29/461359729.db2.gz OMEAZEVKWWTFNG-GOSISDBHSA-N 2 1 334.529 3.320 20 0 EGADMP c1ccc(C2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCC2)cc1 ZINC000655685785 461361409 /nfs/dbraw/zinc/36/14/09/461361409.db2.gz OLNRXNJOTHTZMX-HXUWFJFHSA-N 2 1 328.500 3.341 20 0 EGADMP Clc1ccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)cc1 ZINC000655708396 461378025 /nfs/dbraw/zinc/37/80/25/461378025.db2.gz NDJRTJVXBAYGOB-GOSISDBHSA-N 2 1 334.891 3.215 20 0 EGADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000641805160 461380491 /nfs/dbraw/zinc/38/04/91/461380491.db2.gz MNSRGRZHYVNSAC-MSOLQXFVSA-N 2 1 339.439 3.133 20 0 EGADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000641807497 461382637 /nfs/dbraw/zinc/38/26/37/461382637.db2.gz VACVKXRJGMGEGZ-VXGBXAGGSA-N 2 1 349.784 3.013 20 0 EGADMP Cc1cccnc1[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)C ZINC000655716858 461384383 /nfs/dbraw/zinc/38/43/83/461384383.db2.gz ZAZJHWGXMTXOOF-RBUKOAKNSA-N 2 1 331.504 3.320 20 0 EGADMP c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc(OC2CCCC2)c1 ZINC000655725772 461394905 /nfs/dbraw/zinc/39/49/05/461394905.db2.gz YKVYZDFPVRMIGB-LJQANCHMSA-N 2 1 344.499 3.351 20 0 EGADMP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638377943 461395863 /nfs/dbraw/zinc/39/58/63/461395863.db2.gz KZCKCPOKUOFXQX-KRWDZBQOSA-N 2 1 334.504 3.426 20 0 EGADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2nc3ccccc3o2)c1 ZINC000638382574 461399205 /nfs/dbraw/zinc/39/92/05/461399205.db2.gz XLZOBHWWRASQIJ-UHFFFAOYSA-N 2 1 325.412 3.058 20 0 EGADMP C[N@@H+](Cc1ccccc1C[NH2+][C@H]1CCCNC(=O)C1)C1CCCCC1 ZINC000638402358 461409418 /nfs/dbraw/zinc/40/94/18/461409418.db2.gz NWWCSEKVUDAAOU-IBGZPJMESA-N 2 1 343.515 3.209 20 0 EGADMP Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2)cs1 ZINC000641966597 461420579 /nfs/dbraw/zinc/42/05/79/461420579.db2.gz XETCZKFRRCCSGT-RDTXWAMCSA-N 2 1 345.512 3.226 20 0 EGADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCC2(CCCCC2)O1 ZINC000655760436 461426376 /nfs/dbraw/zinc/42/63/76/461426376.db2.gz QDBJZFAZKQLFQI-RBUKOAKNSA-N 2 1 336.520 3.101 20 0 EGADMP CSc1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655764826 461430830 /nfs/dbraw/zinc/43/08/30/461430830.db2.gz SHVDIMVDKLLNEC-SFHVURJKSA-N 2 1 334.529 3.184 20 0 EGADMP CC1(C)[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)[C@@H]1c1ccccc1 ZINC000655774742 461437405 /nfs/dbraw/zinc/43/74/05/461437405.db2.gz FXEWSJCPPCCBEK-UFYCRDLUSA-N 2 1 328.500 3.269 20 0 EGADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000659825164 461437661 /nfs/dbraw/zinc/43/76/61/461437661.db2.gz OUYSRNZWGBKJDZ-WOJBJXKFSA-N 2 1 329.532 3.172 20 0 EGADMP CC1(C)[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)[C@@H]1c1ccccc1 ZINC000655774741 461437843 /nfs/dbraw/zinc/43/78/43/461437843.db2.gz FXEWSJCPPCCBEK-AABGKKOBSA-N 2 1 328.500 3.269 20 0 EGADMP C[C@H](N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccn(C)n1 ZINC000666127160 461462928 /nfs/dbraw/zinc/46/29/28/461462928.db2.gz HWEKWMCTCRIQLD-GZMOKQHVSA-N 2 1 338.499 3.371 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccn(C)n1 ZINC000666127160 461462932 /nfs/dbraw/zinc/46/29/32/461462932.db2.gz HWEKWMCTCRIQLD-GZMOKQHVSA-N 2 1 338.499 3.371 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccn(C)n1 ZINC000666127160 461462937 /nfs/dbraw/zinc/46/29/37/461462937.db2.gz HWEKWMCTCRIQLD-GZMOKQHVSA-N 2 1 338.499 3.371 20 0 EGADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000647076396 461497381 /nfs/dbraw/zinc/49/73/81/461497381.db2.gz GUZHKJXUJJKHSA-GOSISDBHSA-N 2 1 335.451 3.141 20 0 EGADMP Cc1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000642341689 461501201 /nfs/dbraw/zinc/50/12/01/461501201.db2.gz KHRBYMVRIFKJNN-JOCHJYFZSA-N 2 1 337.511 3.463 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]CCCc2cnn(C)c2)CC1 ZINC000638611540 461506034 /nfs/dbraw/zinc/50/60/34/461506034.db2.gz HQIYGNAVJICWOH-QGZVFWFLSA-N 2 1 326.488 3.168 20 0 EGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000666220035 461514301 /nfs/dbraw/zinc/51/43/01/461514301.db2.gz ZKEPRWWKQIYNIE-XRXFAXGQSA-N 2 1 346.515 3.071 20 0 EGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000666220035 461514310 /nfs/dbraw/zinc/51/43/10/461514310.db2.gz ZKEPRWWKQIYNIE-XRXFAXGQSA-N 2 1 346.515 3.071 20 0 EGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659982451 461528118 /nfs/dbraw/zinc/52/81/18/461528118.db2.gz NHTDXVRWKDMMDD-CRAIPNDOSA-N 2 1 347.528 3.153 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659982451 461528127 /nfs/dbraw/zinc/52/81/27/461528127.db2.gz NHTDXVRWKDMMDD-CRAIPNDOSA-N 2 1 347.528 3.153 20 0 EGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659982451 461528134 /nfs/dbraw/zinc/52/81/34/461528134.db2.gz NHTDXVRWKDMMDD-CRAIPNDOSA-N 2 1 347.528 3.153 20 0 EGADMP CO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CCOCC1 ZINC000638722327 461547627 /nfs/dbraw/zinc/54/76/27/461547627.db2.gz QVDVGLAWPOWUAK-DZFGPLHGSA-N 2 1 346.515 3.071 20 0 EGADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CCOCC1 ZINC000638722327 461547636 /nfs/dbraw/zinc/54/76/36/461547636.db2.gz QVDVGLAWPOWUAK-DZFGPLHGSA-N 2 1 346.515 3.071 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1)C(C)C ZINC000653194771 461551352 /nfs/dbraw/zinc/55/13/52/461551352.db2.gz WXMGQQBDZXMFQD-FPOVZHCZSA-N 2 1 343.515 3.118 20 0 EGADMP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663344384 461572367 /nfs/dbraw/zinc/57/23/67/461572367.db2.gz SKRUAYSCXUQXCW-XLIONFOSSA-N 2 1 346.515 3.312 20 0 EGADMP COc1cc2c(c(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)c1)O[C@@H](C)C2 ZINC000663346195 461576901 /nfs/dbraw/zinc/57/69/01/461576901.db2.gz QHXIPYPSCWUUBE-RDJZCZTQSA-N 2 1 344.499 3.230 20 0 EGADMP COc1cc2c(c(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)c1)O[C@@H](C)C2 ZINC000663346195 461576908 /nfs/dbraw/zinc/57/69/08/461576908.db2.gz QHXIPYPSCWUUBE-RDJZCZTQSA-N 2 1 344.499 3.230 20 0 EGADMP c1ccc(-c2ncc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cn2)cc1 ZINC000663347654 461579267 /nfs/dbraw/zinc/57/92/67/461579267.db2.gz RJISXHXXPITAQZ-GOSISDBHSA-N 2 1 336.483 3.355 20 0 EGADMP c1ccc(-c2ncc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cn2)cc1 ZINC000663347654 461579271 /nfs/dbraw/zinc/57/92/71/461579271.db2.gz RJISXHXXPITAQZ-GOSISDBHSA-N 2 1 336.483 3.355 20 0 EGADMP Brc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643031627 461594519 /nfs/dbraw/zinc/59/45/19/461594519.db2.gz TYUIHFRANYCTTE-XHDPSFHLSA-N 2 1 332.245 3.186 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638838518 461608400 /nfs/dbraw/zinc/60/84/00/461608400.db2.gz KTLOCZHKURWFCC-TZIWHRDSSA-N 2 1 325.500 3.206 20 0 EGADMP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638838518 461608406 /nfs/dbraw/zinc/60/84/06/461608406.db2.gz KTLOCZHKURWFCC-TZIWHRDSSA-N 3 1 325.500 3.206 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638838518 461608417 /nfs/dbraw/zinc/60/84/17/461608417.db2.gz KTLOCZHKURWFCC-TZIWHRDSSA-N 3 1 325.500 3.206 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638838518 461608428 /nfs/dbraw/zinc/60/84/28/461608428.db2.gz KTLOCZHKURWFCC-TZIWHRDSSA-N 3 1 325.500 3.206 20 0 EGADMP C[NH+]1CC=C(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638838518 461608438 /nfs/dbraw/zinc/60/84/38/461608438.db2.gz KTLOCZHKURWFCC-TZIWHRDSSA-N 3 1 325.500 3.206 20 0 EGADMP CCN1CC[NH+](Cc2ccccc2CNc2[nH+]ccc3[nH]ccc32)CC1 ZINC000663388885 461610315 /nfs/dbraw/zinc/61/03/15/461610315.db2.gz ZFULNTGBAVWDHL-UHFFFAOYSA-N 2 1 349.482 3.313 20 0 EGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000663465351 461653459 /nfs/dbraw/zinc/65/34/59/461653459.db2.gz JIMCCEGDLQICAB-HIFRSBDPSA-N 2 1 329.444 3.306 20 0 EGADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663469575 461659524 /nfs/dbraw/zinc/65/95/24/461659524.db2.gz QPPSKOCYNGQDIH-DOTOQJQBSA-N 2 1 332.488 3.476 20 0 EGADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663469575 461659530 /nfs/dbraw/zinc/65/95/30/461659530.db2.gz QPPSKOCYNGQDIH-DOTOQJQBSA-N 2 1 332.488 3.476 20 0 EGADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470139 461660639 /nfs/dbraw/zinc/66/06/39/461660639.db2.gz SJSUZGZVYTUAEA-MJGOQNOKSA-N 2 1 343.515 3.424 20 0 EGADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663469515 461660662 /nfs/dbraw/zinc/66/06/62/461660662.db2.gz PYFFDAHSGIVCDF-VQIMIIECSA-N 2 1 346.515 3.346 20 0 EGADMP CC[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647497589 461736013 /nfs/dbraw/zinc/73/60/13/461736013.db2.gz NFMLXWGMDGEOFK-KGLIPLIRSA-N 2 1 346.393 3.196 20 0 EGADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647497589 461736021 /nfs/dbraw/zinc/73/60/21/461736021.db2.gz NFMLXWGMDGEOFK-KGLIPLIRSA-N 2 1 346.393 3.196 20 0 EGADMP CC[C@H]1C[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)CC[C@@H]1[NH3+] ZINC000647498875 461739727 /nfs/dbraw/zinc/73/97/27/461739727.db2.gz SMPMNQRTBVAFAC-YJBOKZPZSA-N 2 1 332.879 3.144 20 0 EGADMP CC[C@H]1C[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)CC[C@@H]1[NH3+] ZINC000647498875 461739736 /nfs/dbraw/zinc/73/97/36/461739736.db2.gz SMPMNQRTBVAFAC-YJBOKZPZSA-N 2 1 332.879 3.144 20 0 EGADMP CC(C)(C)[C@]1(C[NH+]2CCC(O)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000637859268 461742927 /nfs/dbraw/zinc/74/29/27/461742927.db2.gz COALLVRXXCYKKF-NRFANRHFSA-N 2 1 330.516 3.382 20 0 EGADMP CCc1nn(C)cc1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000647532574 461750381 /nfs/dbraw/zinc/75/03/81/461750381.db2.gz IGJKNQSODIGHDL-GHTZIAJQSA-N 2 1 340.515 3.155 20 0 EGADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542773 461754181 /nfs/dbraw/zinc/75/41/81/461754181.db2.gz BPYOAYGTFBWMMR-MSOLQXFVSA-N 2 1 332.536 3.467 20 0 EGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000653640460 461776210 /nfs/dbraw/zinc/77/62/10/461776210.db2.gz MJLXEPNVVNRSLX-DLBZAZTESA-N 2 1 337.826 3.265 20 0 EGADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639180408 461787836 /nfs/dbraw/zinc/78/78/36/461787836.db2.gz WQAGZCMZNLGZMF-YOEHRIQHSA-N 2 1 331.410 3.429 20 0 EGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639180408 461787844 /nfs/dbraw/zinc/78/78/44/461787844.db2.gz WQAGZCMZNLGZMF-YOEHRIQHSA-N 2 1 331.410 3.429 20 0 EGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639180408 461787849 /nfs/dbraw/zinc/78/78/49/461787849.db2.gz WQAGZCMZNLGZMF-YOEHRIQHSA-N 2 1 331.410 3.429 20 0 EGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639180408 461787856 /nfs/dbraw/zinc/78/78/56/461787856.db2.gz WQAGZCMZNLGZMF-YOEHRIQHSA-N 2 1 331.410 3.429 20 0 EGADMP CC(C)(C)[C@]1(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000639202184 461800846 /nfs/dbraw/zinc/80/08/46/461800846.db2.gz UHDBROXREVZEQO-FCIYXJNOSA-N 2 1 342.527 3.095 20 0 EGADMP CC(C)(C)[C@]1(C[NH+]2C[C@H]3[C@H](CO)[C@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639202184 461800848 /nfs/dbraw/zinc/80/08/48/461800848.db2.gz UHDBROXREVZEQO-FCIYXJNOSA-N 2 1 342.527 3.095 20 0 EGADMP CC(C)(C)[C@]1(C[NH+]2C[C@H]3[C@H](CO)[C@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639202184 461800852 /nfs/dbraw/zinc/80/08/52/461800852.db2.gz UHDBROXREVZEQO-FCIYXJNOSA-N 2 1 342.527 3.095 20 0 EGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000647794212 461838222 /nfs/dbraw/zinc/83/82/22/461838222.db2.gz UNCDDEBXWGUHRP-WHCFWRGISA-N 3 1 341.543 3.265 20 0 EGADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707155 461898983 /nfs/dbraw/zinc/89/89/83/461898983.db2.gz ZOTQMAWBSHQJTL-OWQGQXMQSA-N 2 1 338.879 3.067 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000650706221 461899141 /nfs/dbraw/zinc/89/91/41/461899141.db2.gz GQWHWLCBVLDFQY-DJIMGWMZSA-N 2 1 342.405 3.424 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)C1 ZINC000650706916 461899671 /nfs/dbraw/zinc/89/96/71/461899671.db2.gz VNKQAWMJSSAPSA-YQVWRLOYSA-N 2 1 341.455 3.060 20 0 EGADMP CC1(C)Cc2cccc(C[N@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)c2O1 ZINC000650708280 461902297 /nfs/dbraw/zinc/90/22/97/461902297.db2.gz WXSAISBMZRVQGH-YTQUADARSA-N 2 1 344.499 3.118 20 0 EGADMP C[N@H+]1CC[C@@]2(C1)CCCN(CC(=O)Nc1cccc3ccccc31)C2 ZINC000660654902 461905997 /nfs/dbraw/zinc/90/59/97/461905997.db2.gz CUYBBQMFTALFLN-OAQYLSRUSA-N 2 1 337.467 3.196 20 0 EGADMP CC(C)(C)C(=O)N1CCC[C@@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000647959092 461907709 /nfs/dbraw/zinc/90/77/09/461907709.db2.gz XDOGYUDRLMXFEE-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(F)cc(Cl)c2)C1 ZINC000650722847 461913820 /nfs/dbraw/zinc/91/38/20/461913820.db2.gz CFZLFDCEVASAQU-ZACQAIPSSA-N 2 1 326.843 3.340 20 0 EGADMP COc1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650722232 461914248 /nfs/dbraw/zinc/91/42/48/461914248.db2.gz NRTPMRGUXRYASW-JZXOWHBKSA-N 2 1 338.879 3.209 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc3ncccc3c2)C1 ZINC000650722581 461915202 /nfs/dbraw/zinc/91/52/02/461915202.db2.gz XGDRKFLLYVDLLQ-RLLQIKCJSA-N 2 1 325.456 3.096 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc3cc(F)ccc3o2)C1 ZINC000650723957 461916385 /nfs/dbraw/zinc/91/63/85/461916385.db2.gz WDORLSGWNDZQKV-SUMDDJOVSA-N 2 1 332.419 3.433 20 0 EGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(F)cc2Cl)C1 ZINC000650724068 461916664 /nfs/dbraw/zinc/91/66/64/461916664.db2.gz XWDPWFQFTAATKB-DJIMGWMZSA-N 2 1 326.843 3.340 20 0 EGADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000647974984 461917262 /nfs/dbraw/zinc/91/72/62/461917262.db2.gz FBOKLYVKQPTYMK-JKSUJKDBSA-N 2 1 349.906 3.299 20 0 EGADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000647974984 461917253 /nfs/dbraw/zinc/91/72/53/461917253.db2.gz FBOKLYVKQPTYMK-JKSUJKDBSA-N 2 1 349.906 3.299 20 0 EGADMP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000647974926 461917432 /nfs/dbraw/zinc/91/74/32/461917432.db2.gz CCDLQQPKBXGLPU-MOPGFXCFSA-N 2 1 343.515 3.262 20 0 EGADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975093 461917683 /nfs/dbraw/zinc/91/76/83/461917683.db2.gz KROAWVIXSNPXCA-YTQUADARSA-N 2 1 343.515 3.288 20 0 EGADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976408 461918134 /nfs/dbraw/zinc/91/81/34/461918134.db2.gz NZISQIOBFCMWLB-ULQDDVLXSA-N 2 1 347.478 3.173 20 0 EGADMP COc1c(C)c[nH+]c(CN2CCC([NH2+]Cc3ccccc3)CC2)c1C ZINC000660675656 461919826 /nfs/dbraw/zinc/91/98/26/461919826.db2.gz GSDKCYBZWPISFM-UHFFFAOYSA-N 2 1 339.483 3.461 20 0 EGADMP Fc1ccccc1-c1noc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647978215 461921295 /nfs/dbraw/zinc/92/12/95/461921295.db2.gz OJICJRRTHLISQG-LSDHHAIUSA-N 2 1 344.434 3.087 20 0 EGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C)o2)C[C@H]1C ZINC000648009905 461938049 /nfs/dbraw/zinc/93/80/49/461938049.db2.gz BENWNWUZULWEGC-PBHICJAKSA-N 2 1 330.476 3.293 20 0 EGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C)o2)C[C@H]1C ZINC000648009905 461938056 /nfs/dbraw/zinc/93/80/56/461938056.db2.gz BENWNWUZULWEGC-PBHICJAKSA-N 2 1 330.476 3.293 20 0 EGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C)o2)C[C@H]1C ZINC000648009905 461938061 /nfs/dbraw/zinc/93/80/61/461938061.db2.gz BENWNWUZULWEGC-PBHICJAKSA-N 2 1 330.476 3.293 20 0 EGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C)o2)C[C@H]1C ZINC000648009905 461938068 /nfs/dbraw/zinc/93/80/68/461938068.db2.gz BENWNWUZULWEGC-PBHICJAKSA-N 2 1 330.476 3.293 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCN(C)C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000660760539 461957490 /nfs/dbraw/zinc/95/74/90/461957490.db2.gz RKUWNKNYFNCKDC-IYBDPMFKSA-N 2 1 349.485 3.313 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC(C)(C)c1cccs1 ZINC000644566690 461987189 /nfs/dbraw/zinc/98/71/89/461987189.db2.gz IWUPVWMKHPMMIT-QGZVFWFLSA-N 2 1 332.513 3.108 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC(C)(C)c1cccs1 ZINC000644566690 461987196 /nfs/dbraw/zinc/98/71/96/461987196.db2.gz IWUPVWMKHPMMIT-QGZVFWFLSA-N 2 1 332.513 3.108 20 0 EGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3CC[N@H+]3C(C)(C)C)ccc21 ZINC000667196885 461991586 /nfs/dbraw/zinc/99/15/86/461991586.db2.gz GXCLOKGAJOQHFZ-SJLPKXTDSA-N 2 1 344.503 3.230 20 0 EGADMP CC(C)([NH3+])CCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000648167677 461995593 /nfs/dbraw/zinc/99/55/93/461995593.db2.gz LOLYFKNCWIQZMO-MOPGFXCFSA-N 2 1 343.515 3.017 20 0 EGADMP C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000639579083 462000430 /nfs/dbraw/zinc/00/04/30/462000430.db2.gz GRXKOOJLMBBCAM-JZXOWHBKSA-N 2 1 330.472 3.069 20 0 EGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000644638090 462017708 /nfs/dbraw/zinc/01/77/08/462017708.db2.gz KPRUZBYBXXCBEM-GUDVDZBRSA-N 2 1 342.458 3.154 20 0 EGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000644638090 462017717 /nfs/dbraw/zinc/01/77/17/462017717.db2.gz KPRUZBYBXXCBEM-GUDVDZBRSA-N 2 1 342.458 3.154 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cc(C(F)(F)F)nn2C)C1 ZINC000657312459 462038168 /nfs/dbraw/zinc/03/81/68/462038168.db2.gz JLDHLOZBKSTAQX-OKILXGFUSA-N 2 1 346.441 3.287 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000657348299 462062984 /nfs/dbraw/zinc/06/29/84/462062984.db2.gz QXWAATFMLHKYRJ-HKUYNNGSSA-N 2 1 334.504 3.310 20 0 EGADMP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000657347961 462063143 /nfs/dbraw/zinc/06/31/43/462063143.db2.gz YVXPTMSNBZSLLJ-HOTGVXAUSA-N 2 1 331.460 3.031 20 0 EGADMP Cc1cccc2[nH]c(C[NH2+]C3CC[NH+](CCOC(C)C)CC3)cc21 ZINC000657383663 462086459 /nfs/dbraw/zinc/08/64/59/462086459.db2.gz LJPKAXCDQVSWBM-UHFFFAOYSA-N 2 1 329.488 3.455 20 0 EGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000657426641 462115170 /nfs/dbraw/zinc/11/51/70/462115170.db2.gz BCNQFOQGJZQMJH-UHFFFAOYSA-N 2 1 327.403 3.365 20 0 EGADMP Cc1c(Br)cncc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000657447012 462130522 /nfs/dbraw/zinc/13/05/22/462130522.db2.gz NSQRDXCJQNIWNM-UHFFFAOYSA-N 2 1 340.309 3.364 20 0 EGADMP Clc1ccccc1N1CC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000657538877 462173563 /nfs/dbraw/zinc/17/35/63/462173563.db2.gz XRWCANBPBPXALZ-IKGGRYGDSA-N 2 1 333.907 3.383 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)CC2)CC1 ZINC000654375832 462194006 /nfs/dbraw/zinc/19/40/06/462194006.db2.gz IQVBMLGYMHUYKH-FUHIMQAGSA-N 2 1 349.563 3.124 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657867527 462301850 /nfs/dbraw/zinc/30/18/50/462301850.db2.gz TXOXGEIHMQSAGW-CYBMUJFWSA-N 2 1 327.419 3.171 20 0 EGADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000651827389 462350998 /nfs/dbraw/zinc/35/09/98/462350998.db2.gz BODGJDODFLNKLE-UHFFFAOYSA-N 2 1 326.488 3.453 20 0 EGADMP CCCN(C(=O)c1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000648995223 462362628 /nfs/dbraw/zinc/36/26/28/462362628.db2.gz OTPNQPROQUCVEB-HXUWFJFHSA-N 2 1 343.515 3.229 20 0 EGADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000665249424 462369402 /nfs/dbraw/zinc/36/94/02/462369402.db2.gz QELZIEWCPQSHRW-HNNXBMFYSA-N 2 1 332.492 3.482 20 0 EGADMP OC[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC1CC1 ZINC000658257297 462445631 /nfs/dbraw/zinc/44/56/31/462445631.db2.gz ZLDYAXYHIYVFIO-BURNTYAHSA-N 2 1 328.500 3.180 20 0 EGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652141006 462447130 /nfs/dbraw/zinc/44/71/30/462447130.db2.gz CCXKGOOEPXSYSK-ZBFHGGJFSA-N 2 1 336.476 3.095 20 0 EGADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1cc(OC)c(OC)c(OC)c1 ZINC000652141410 462448367 /nfs/dbraw/zinc/44/83/67/462448367.db2.gz OOUKMEHPQIHIQW-INIZCTEOSA-N 2 1 347.459 3.348 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000649291284 462469413 /nfs/dbraw/zinc/46/94/13/462469413.db2.gz XLONILZPXJJGMW-CALCHBBNSA-N 2 1 345.531 3.298 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649294977 462470007 /nfs/dbraw/zinc/47/00/07/462470007.db2.gz ZYVXHIOEPBZEEQ-WMLDXEAASA-N 2 1 337.895 3.111 20 0 EGADMP C[C@@H]1C[C@H](N(C)C(=O)CCC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000649330133 462479829 /nfs/dbraw/zinc/47/98/29/462479829.db2.gz ZGQLLRDRTMYHRX-SJLPKXTDSA-N 2 1 331.504 3.015 20 0 EGADMP CC(C)COc1ccccc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104255 462518453 /nfs/dbraw/zinc/51/84/53/462518453.db2.gz FCNUCRZMUHUJAI-UHFFFAOYSA-N 2 1 332.488 3.018 20 0 EGADMP CC(C)COc1ccccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104255 462518456 /nfs/dbraw/zinc/51/84/56/462518456.db2.gz FCNUCRZMUHUJAI-UHFFFAOYSA-N 2 1 332.488 3.018 20 0 EGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000154791898 527673159 /nfs/dbraw/zinc/67/31/59/527673159.db2.gz NESDPRRNCBNTMT-JTDSTZFVSA-N 2 1 331.504 3.490 20 0 EGADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000154791898 527673164 /nfs/dbraw/zinc/67/31/64/527673164.db2.gz NESDPRRNCBNTMT-JTDSTZFVSA-N 2 1 331.504 3.490 20 0 EGADMP CC[N@@H+](CC(C)C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000153715371 527962475 /nfs/dbraw/zinc/96/24/75/527962475.db2.gz IOCIOGYXVFKBLU-SFHVURJKSA-N 2 1 345.531 3.134 20 0 EGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000131399602 528111795 /nfs/dbraw/zinc/11/17/95/528111795.db2.gz DINPEIZVVXHPSV-HNNXBMFYSA-N 2 1 332.492 3.353 20 0 EGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(Br)c2OC)C1 ZINC000187157810 528254856 /nfs/dbraw/zinc/25/48/56/528254856.db2.gz SVDYRBOOOGBHKR-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(Br)c2OC)C1 ZINC000187157810 528254857 /nfs/dbraw/zinc/25/48/57/528254857.db2.gz SVDYRBOOOGBHKR-ZDUSSCGKSA-N 2 1 341.293 3.279 20 0 EGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H]2CCC[NH+](C)C2)cc1)C(C)C ZINC000153918897 528773520 /nfs/dbraw/zinc/77/35/20/528773520.db2.gz MTMXBTYBKAMHQU-LJQANCHMSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1)C(C)C ZINC000153918897 528773525 /nfs/dbraw/zinc/77/35/25/528773525.db2.gz MTMXBTYBKAMHQU-LJQANCHMSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1)C(C)C ZINC000153918897 528773530 /nfs/dbraw/zinc/77/35/30/528773530.db2.gz MTMXBTYBKAMHQU-LJQANCHMSA-N 2 1 331.504 3.083 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000187191942 529151259 /nfs/dbraw/zinc/15/12/59/529151259.db2.gz SBXRRGGRMJAEBJ-VQIMIIECSA-N 2 1 335.923 3.155 20 0 EGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C(=O)OCC)co2)CC1 ZINC000353447907 535216770 /nfs/dbraw/zinc/21/67/70/535216770.db2.gz LKVVGRZGBDEWMN-UHFFFAOYSA-N 2 1 336.476 3.400 20 0 EGADMP CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000338033405 535649065 /nfs/dbraw/zinc/64/90/65/535649065.db2.gz WZYMLGCBYGBUQU-INIZCTEOSA-N 2 1 331.504 3.131 20 0 EGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000351615996 536356983 /nfs/dbraw/zinc/35/69/83/536356983.db2.gz PILNHUZMTTYOKD-ROUUACIJSA-N 2 1 345.535 3.058 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000351615996 536356985 /nfs/dbraw/zinc/35/69/85/536356985.db2.gz PILNHUZMTTYOKD-ROUUACIJSA-N 2 1 345.535 3.058 20 0 EGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000351615996 536356986 /nfs/dbraw/zinc/35/69/86/536356986.db2.gz PILNHUZMTTYOKD-ROUUACIJSA-N 2 1 345.535 3.058 20 0 EGADMP Fc1cc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)ccc1Cl ZINC000090943437 546661713 /nfs/dbraw/zinc/66/17/13/546661713.db2.gz DHMOUJOGYXRYCE-QLFBSQMISA-N 2 1 337.870 3.274 20 0 EGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000130057508 546792662 /nfs/dbraw/zinc/79/26/62/546792662.db2.gz BRKONVKKFIMBTF-IBGZPJMESA-N 2 1 344.499 3.162 20 0 EGADMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000131383809 546804785 /nfs/dbraw/zinc/80/47/85/546804785.db2.gz ILJVRDZFHQRUAJ-KRWDZBQOSA-N 2 1 338.904 3.471 20 0 EGADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166426525 546987741 /nfs/dbraw/zinc/98/77/41/546987741.db2.gz RWHYWBWGZUNTBC-LSDHHAIUSA-N 2 1 335.879 3.193 20 0 EGADMP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)n1 ZINC000246416104 547279472 /nfs/dbraw/zinc/27/94/72/547279472.db2.gz MWWOVCCNYBIKAQ-MSOLQXFVSA-N 2 1 340.471 3.058 20 0 EGADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)CC2 ZINC000280007474 547369044 /nfs/dbraw/zinc/36/90/44/547369044.db2.gz GLYGDTZBQYBBLY-SUMWQHHRSA-N 2 1 329.444 3.122 20 0 EGADMP CC[NH+]1CCN(c2ccc(Nc3[nH+]cnc4[nH]ccc43)c(C)c2)CC1 ZINC000339139159 547570327 /nfs/dbraw/zinc/57/03/27/547570327.db2.gz BMYKCJDNYMTWPV-UHFFFAOYSA-N 2 1 336.443 3.152 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000339236670 547571078 /nfs/dbraw/zinc/57/10/78/547571078.db2.gz HAOQWGYWMNCNLI-QZTJIDSGSA-N 2 1 347.503 3.187 20 0 EGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000339239537 547571542 /nfs/dbraw/zinc/57/15/42/547571542.db2.gz ZNVGWJBOSUVBEC-SJORKVTESA-N 2 1 349.544 3.266 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000348100156 547626701 /nfs/dbraw/zinc/62/67/01/547626701.db2.gz FBJKPTSLZAIIML-SFTDATJTSA-N 2 1 327.516 3.102 20 0 EGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000352793151 547687985 /nfs/dbraw/zinc/68/79/85/547687985.db2.gz KZFBSYPAGYRFOO-QGZVFWFLSA-N 2 1 334.529 3.486 20 0 EGADMP CC(C)C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000354329722 547705328 /nfs/dbraw/zinc/70/53/28/547705328.db2.gz LZJXLVYRMQUTTE-MJGOQNOKSA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000371251927 547797758 /nfs/dbraw/zinc/79/77/58/547797758.db2.gz RGCUTCXXFQGUKI-SQNIBIBYSA-N 2 1 332.488 3.241 20 0 EGADMP CCCn1nccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398046559 547835662 /nfs/dbraw/zinc/83/56/62/547835662.db2.gz WAFOTFYVLLVWNY-XLIONFOSSA-N 2 1 326.488 3.293 20 0 EGADMP CCCn1nccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398046559 547835664 /nfs/dbraw/zinc/83/56/64/547835664.db2.gz WAFOTFYVLLVWNY-XLIONFOSSA-N 2 1 326.488 3.293 20 0 EGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000398063585 547835886 /nfs/dbraw/zinc/83/58/86/547835886.db2.gz WZFADLRLDDQNLG-ZIFCJYIRSA-N 2 1 346.515 3.464 20 0 EGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412006094 547843765 /nfs/dbraw/zinc/84/37/65/547843765.db2.gz HGOGYYDFKLFCSB-IBGZPJMESA-N 2 1 327.472 3.236 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744016 548350165 /nfs/dbraw/zinc/35/01/65/548350165.db2.gz QDFVPHBTFCAFQT-QLFBSQMISA-N 2 1 347.459 3.073 20 0 EGADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000674391652 548745699 /nfs/dbraw/zinc/74/56/99/548745699.db2.gz VLOLRRZAWKZWNT-COPCDDAFSA-N 2 1 338.495 3.357 20 0 EGADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000674391652 548745703 /nfs/dbraw/zinc/74/57/03/548745703.db2.gz VLOLRRZAWKZWNT-COPCDDAFSA-N 2 1 338.495 3.357 20 0 EGADMP C[C@@H]1[C@@H](c2ccccc2)CC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000674391652 548745709 /nfs/dbraw/zinc/74/57/09/548745709.db2.gz VLOLRRZAWKZWNT-COPCDDAFSA-N 2 1 338.495 3.357 20 0 EGADMP C[C@@H]1[C@@H](c2ccccc2)CC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000674391652 548745713 /nfs/dbraw/zinc/74/57/13/548745713.db2.gz VLOLRRZAWKZWNT-COPCDDAFSA-N 2 1 338.495 3.357 20 0 EGADMP CC1(C)C[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000677748086 549325604 /nfs/dbraw/zinc/32/56/04/549325604.db2.gz DTWYQXJEBZYXSZ-HSALFYBXSA-N 2 1 327.516 3.256 20 0 EGADMP CC1(C)C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000677748086 549325607 /nfs/dbraw/zinc/32/56/07/549325607.db2.gz DTWYQXJEBZYXSZ-HSALFYBXSA-N 2 1 327.516 3.256 20 0 EGADMP CC1(C)C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000677748086 549325611 /nfs/dbraw/zinc/32/56/11/549325611.db2.gz DTWYQXJEBZYXSZ-HSALFYBXSA-N 2 1 327.516 3.256 20 0 EGADMP C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678185203 549420862 /nfs/dbraw/zinc/42/08/62/549420862.db2.gz WRONIXMJCUADFS-GOSISDBHSA-N 2 1 342.483 3.010 20 0 EGADMP CCc1nn(C)cc1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000678361212 549476422 /nfs/dbraw/zinc/47/64/22/549476422.db2.gz SPXKSBLYUGXCTI-HKUYNNGSSA-N 2 1 340.515 3.373 20 0 EGADMP Cc1cc(C)c(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000678718715 549547683 /nfs/dbraw/zinc/54/76/83/549547683.db2.gz APQPODSWQGWBPW-FQEVSTJZSA-N 2 1 329.532 3.212 20 0 EGADMP CCCCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1(C)C ZINC000678926390 549596072 /nfs/dbraw/zinc/59/60/72/549596072.db2.gz BBBDQHINHFOLGB-GBESFXJTSA-N 2 1 338.536 3.203 20 0 EGADMP COc1ccc(COCC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000680401251 549862722 /nfs/dbraw/zinc/86/27/22/549862722.db2.gz LSIZWMJTUVNMIF-PKOBYXMFSA-N 2 1 346.515 3.454 20 0 EGADMP COCCC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCCCC1 ZINC000681984898 550057770 /nfs/dbraw/zinc/05/77/70/550057770.db2.gz UJBKDLGHNNPFPK-LJQANCHMSA-N 2 1 338.536 3.206 20 0 EGADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000683818315 550264655 /nfs/dbraw/zinc/26/46/55/550264655.db2.gz GAHKWPWWMFDHLJ-YLJYHZDGSA-N 2 1 334.504 3.242 20 0 EGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000731042559 575046347 /nfs/dbraw/zinc/04/63/47/575046347.db2.gz ZCBDMBKFJDJQRO-HNNXBMFYSA-N 2 1 340.496 3.494 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2N[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000679137580 576174718 /nfs/dbraw/zinc/17/47/18/576174718.db2.gz MNFCPIHFWHQMRJ-IMBTUZDBSA-N 2 1 331.504 3.190 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2N[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000679137580 576174720 /nfs/dbraw/zinc/17/47/20/576174720.db2.gz MNFCPIHFWHQMRJ-IMBTUZDBSA-N 2 1 331.504 3.190 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000679137580 576174722 /nfs/dbraw/zinc/17/47/22/576174722.db2.gz MNFCPIHFWHQMRJ-IMBTUZDBSA-N 2 1 331.504 3.190 20 0 EGADMP C[C@@H]1C[NH+](Cc2ccccc2N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000679137580 576174723 /nfs/dbraw/zinc/17/47/23/576174723.db2.gz MNFCPIHFWHQMRJ-IMBTUZDBSA-N 2 1 331.504 3.190 20 0 EGADMP C[C@@H]([NH+](C)CCS(=O)(=O)CC[N@H+](C)[C@H](C)C(C)(C)C)C(C)(C)C ZINC000742588357 576791024 /nfs/dbraw/zinc/79/10/24/576791024.db2.gz IZNHRGQYYCPDQA-HZPDHXFCSA-N 2 1 348.597 3.134 20 0 EGADMP CC1(C)[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)[C@H]2CCC[NH2+][C@H]21 ZINC000693698135 1298151168 /nfs/dbraw/zinc/15/11/68/1298151168.db2.gz TWQRCQVVVYRPIK-XUVXKRRUSA-N 2 1 327.516 3.017 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc(C)c3)cc2)CC1 ZINC000061070152 1291959141 /nfs/dbraw/zinc/95/91/41/1291959141.db2.gz TVXODKZFCQJNJU-UHFFFAOYSA-N 2 1 337.511 3.422 20 0 EGADMP CC(C)Oc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000076762200 1292441478 /nfs/dbraw/zinc/44/14/78/1292441478.db2.gz KVTKNXDILAEHIM-GOSISDBHSA-N 2 1 332.488 3.064 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CC2(Cl)Cl)[C@@H](C)C1 ZINC000828936823 1292518664 /nfs/dbraw/zinc/51/86/64/1292518664.db2.gz VDCHCTHHFHAPED-KKUMJFAQSA-N 2 1 337.335 3.297 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003773 1292783617 /nfs/dbraw/zinc/78/36/17/1292783617.db2.gz JJRUWNHFSKUDDT-DLBZAZTESA-N 2 1 340.471 3.010 20 0 EGADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003773 1292783624 /nfs/dbraw/zinc/78/36/24/1292783624.db2.gz JJRUWNHFSKUDDT-DLBZAZTESA-N 2 1 340.471 3.010 20 0 EGADMP CCn1nc(C)c(CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1C ZINC000105429962 1293034692 /nfs/dbraw/zinc/03/46/92/1293034692.db2.gz YKTVKUOAGDVCCO-HXUWFJFHSA-N 2 1 340.515 3.174 20 0 EGADMP CCn1nc(C)c(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1C ZINC000105429962 1293034701 /nfs/dbraw/zinc/03/47/01/1293034701.db2.gz YKTVKUOAGDVCCO-HXUWFJFHSA-N 2 1 340.515 3.174 20 0 EGADMP CCn1nc(C)c(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1C ZINC000105429962 1293034713 /nfs/dbraw/zinc/03/47/13/1293034713.db2.gz YKTVKUOAGDVCCO-HXUWFJFHSA-N 2 1 340.515 3.174 20 0 EGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc(OC)c2OC)c1 ZINC000105449568 1293037124 /nfs/dbraw/zinc/03/71/24/1293037124.db2.gz VUTJHCGGXWRLTC-UHFFFAOYSA-N 2 1 328.456 3.445 20 0 EGADMP COc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1OC(F)F ZINC000120971146 1293348465 /nfs/dbraw/zinc/34/84/65/1293348465.db2.gz ULEYBJVWBNKYRM-UHFFFAOYSA-N 2 1 340.414 3.261 20 0 EGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)[C@H](C)C1 ZINC000122331666 1293409266 /nfs/dbraw/zinc/40/92/66/1293409266.db2.gz CJAWPYVOGDBSJK-DYESRHJHSA-N 3 1 344.547 3.041 20 0 EGADMP CCN1CC[C@@H]([NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)[C@H](C)C1 ZINC000122331666 1293409271 /nfs/dbraw/zinc/40/92/71/1293409271.db2.gz CJAWPYVOGDBSJK-DYESRHJHSA-N 3 1 344.547 3.041 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000128080970 1293582525 /nfs/dbraw/zinc/58/25/25/1293582525.db2.gz RTZXSUKIEZRUQW-YLFCFFPRSA-N 2 1 337.508 3.039 20 0 EGADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000181851918 1294997112 /nfs/dbraw/zinc/99/71/12/1294997112.db2.gz RSVZTVUCKVPWIA-ZWKOTPCHSA-N 2 1 326.525 3.059 20 0 EGADMP C[N@H+](CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CCCC1 ZINC000182731006 1295071107 /nfs/dbraw/zinc/07/11/07/1295071107.db2.gz DYTCAKIFDUHXPM-MRXNPFEDSA-N 2 1 339.524 3.240 20 0 EGADMP C[N@@H+](CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CCCC1 ZINC000182731006 1295071111 /nfs/dbraw/zinc/07/11/11/1295071111.db2.gz DYTCAKIFDUHXPM-MRXNPFEDSA-N 2 1 339.524 3.240 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000185288382 1295252870 /nfs/dbraw/zinc/25/28/70/1295252870.db2.gz AXCCBRLCSCEYLS-AWEZNQCLSA-N 2 1 325.840 3.458 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000185288382 1295252878 /nfs/dbraw/zinc/25/28/78/1295252878.db2.gz AXCCBRLCSCEYLS-AWEZNQCLSA-N 2 1 325.840 3.458 20 0 EGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000217842247 1296122720 /nfs/dbraw/zinc/12/27/20/1296122720.db2.gz YTGYBWYODWCOCD-ARFHVFGLSA-N 2 1 327.513 3.142 20 0 EGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000217842247 1296122735 /nfs/dbraw/zinc/12/27/35/1296122735.db2.gz YTGYBWYODWCOCD-ARFHVFGLSA-N 2 1 327.513 3.142 20 0 EGADMP CC(C)[C@@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000236710546 1296198839 /nfs/dbraw/zinc/19/88/39/1296198839.db2.gz YGPRKHTVDPSYAY-DLBZAZTESA-N 2 1 339.524 3.096 20 0 EGADMP COc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccc1OC(F)F ZINC000237110765 1296222061 /nfs/dbraw/zinc/22/20/61/1296222061.db2.gz NPOHLQOKAGJXNU-UHFFFAOYSA-N 2 1 328.403 3.259 20 0 EGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1F ZINC000237426175 1296244083 /nfs/dbraw/zinc/24/40/83/1296244083.db2.gz OAKUNBMSBQAQTB-LJQANCHMSA-N 2 1 342.458 3.489 20 0 EGADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3CC[NH+](C)C(C)(C)CC3)c2)C1 ZINC000871157084 1296246667 /nfs/dbraw/zinc/24/66/67/1296246667.db2.gz GNFAOOBGGURILN-LJQANCHMSA-N 2 1 343.515 3.052 20 0 EGADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)N3CC[N@H+](C)C(C)(C)CC3)c2)C1 ZINC000871157084 1296246675 /nfs/dbraw/zinc/24/66/75/1296246675.db2.gz GNFAOOBGGURILN-LJQANCHMSA-N 2 1 343.515 3.052 20 0 EGADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)N3CC[N@@H+](C)C(C)(C)CC3)c2)C1 ZINC000871157084 1296246679 /nfs/dbraw/zinc/24/66/79/1296246679.db2.gz GNFAOOBGGURILN-LJQANCHMSA-N 2 1 343.515 3.052 20 0 EGADMP O[C@H](C[NH2+]Cc1ccc(-c2ccccc2F)s1)C[NH+]1CCCC1 ZINC000237967273 1296273347 /nfs/dbraw/zinc/27/33/47/1296273347.db2.gz RBAVPUFREVILCK-CQSZACIVSA-N 2 1 334.460 3.101 20 0 EGADMP CCCCC[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248182001 1296408144 /nfs/dbraw/zinc/40/81/44/1296408144.db2.gz WOJDUQOQIISWJO-FXAWDEMLSA-N 2 1 345.531 3.442 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261542734 1296593846 /nfs/dbraw/zinc/59/38/46/1296593846.db2.gz CKMMASMPBZGEJF-PLACYPQZSA-N 3 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@H+]2CC[C@H](CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261542734 1296593854 /nfs/dbraw/zinc/59/38/54/1296593854.db2.gz CKMMASMPBZGEJF-PLACYPQZSA-N 2 1 327.516 3.019 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@H](CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261542734 1296593862 /nfs/dbraw/zinc/59/38/62/1296593862.db2.gz CKMMASMPBZGEJF-PLACYPQZSA-N 2 1 327.516 3.019 20 0 EGADMP c1ccc(COc2cccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)c2)nc1 ZINC000261984161 1296612092 /nfs/dbraw/zinc/61/20/92/1296612092.db2.gz JNESMJJFLQQAMD-UHFFFAOYSA-N 2 1 337.467 3.236 20 0 EGADMP Clc1cccc(-c2n[nH]cc2C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262013472 1296613848 /nfs/dbraw/zinc/61/38/48/1296613848.db2.gz MLBRVDBXUBHKSC-UHFFFAOYSA-N 2 1 330.863 3.306 20 0 EGADMP Fc1cccc(Br)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262069947 1296616236 /nfs/dbraw/zinc/61/62/36/1296616236.db2.gz RXSRJEBQYHIZGW-UHFFFAOYSA-N 2 1 327.241 3.164 20 0 EGADMP Fc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1Br ZINC000262042193 1296617435 /nfs/dbraw/zinc/61/74/35/1296617435.db2.gz PHRQERILCPKEOR-UHFFFAOYSA-N 2 1 327.241 3.164 20 0 EGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](Cc2cc(CO)ccc2F)C1)C1CCCC1 ZINC000872158019 1296775448 /nfs/dbraw/zinc/77/54/48/1296775448.db2.gz RURULJOEWPVHGL-QRWLVFNGSA-N 2 1 334.479 3.438 20 0 EGADMP CNC(=O)c1ccc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000872156225 1296775878 /nfs/dbraw/zinc/77/58/78/1296775878.db2.gz GKFLFDQLXKBCCW-YLJYHZDGSA-N 2 1 343.515 3.166 20 0 EGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](Cc2nc(-c3ccco3)no2)C1)C1CCCC1 ZINC000872156898 1296776711 /nfs/dbraw/zinc/77/67/11/1296776711.db2.gz MGWVDCMGGKVEDM-GDBMZVCRSA-N 2 1 344.459 3.449 20 0 EGADMP CC(C)(C)c1noc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156418 1296776973 /nfs/dbraw/zinc/77/69/73/1296776973.db2.gz JGVQGIZEZPUQCN-GDBMZVCRSA-N 2 1 334.508 3.487 20 0 EGADMP CC(C)(C)c1noc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156418 1296776984 /nfs/dbraw/zinc/77/69/84/1296776984.db2.gz JGVQGIZEZPUQCN-GDBMZVCRSA-N 2 1 334.508 3.487 20 0 EGADMP C[C@@]1(C[NH2+]C[C@@H](O)c2ccccc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000310925309 1297103758 /nfs/dbraw/zinc/10/37/58/1297103758.db2.gz RZPBVPNXXJZSMN-RTWAWAEBSA-N 2 1 342.458 3.361 20 0 EGADMP OCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H]1CCCc2ccccc21 ZINC000873206315 1297352523 /nfs/dbraw/zinc/35/25/23/1297352523.db2.gz ZNJDWEGFIUPMEV-IBGZPJMESA-N 2 1 342.508 3.266 20 0 EGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)C[C@H]1C(F)(F)F ZINC000873229143 1297371616 /nfs/dbraw/zinc/37/16/16/1297371616.db2.gz YABWFVJRXGIHIX-GDBMZVCRSA-N 2 1 328.378 3.044 20 0 EGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCC3CC3)cc2)C[C@H]1C(F)(F)F ZINC000873229143 1297371631 /nfs/dbraw/zinc/37/16/31/1297371631.db2.gz YABWFVJRXGIHIX-GDBMZVCRSA-N 2 1 328.378 3.044 20 0 EGADMP c1sc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc1-c1ccncc1 ZINC000873282724 1297409878 /nfs/dbraw/zinc/40/98/78/1297409878.db2.gz LRSNUHQFYDSWIB-BZUAXINKSA-N 2 1 328.485 3.215 20 0 EGADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000386303239 1297588848 /nfs/dbraw/zinc/58/88/48/1297588848.db2.gz FZHNEBMTRUHXSC-GHTZIAJQSA-N 2 1 342.458 3.361 20 0 EGADMP CCCN1CCC([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000397502112 1297700947 /nfs/dbraw/zinc/70/09/47/1297700947.db2.gz ZXCQERDQPOQXDG-UHFFFAOYSA-N 2 1 329.532 3.363 20 0 EGADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000398059428 1297714484 /nfs/dbraw/zinc/71/44/84/1297714484.db2.gz AXVJNWZAEJSQGT-WIYYLYMNSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000398154088 1297715560 /nfs/dbraw/zinc/71/55/60/1297715560.db2.gz ZJSPUPMRGXZZLF-LVCYWYKZSA-N 3 1 329.532 3.217 20 0 EGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000398154088 1297715567 /nfs/dbraw/zinc/71/55/67/1297715567.db2.gz ZJSPUPMRGXZZLF-LVCYWYKZSA-N 3 1 329.532 3.217 20 0 EGADMP CC[NH+](CC)C[C@H](C)[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695206297 1298159437 /nfs/dbraw/zinc/15/94/37/1298159437.db2.gz RAOJWGIRNFFLDY-INIZCTEOSA-N 2 1 341.540 3.344 20 0 EGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000700800731 1298179477 /nfs/dbraw/zinc/17/94/77/1298179477.db2.gz VGFPYXOZRSWVTM-IXDOHACOSA-N 2 1 339.524 3.144 20 0 EGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1(Br)CC1 ZINC000926325045 1325515822 /nfs/dbraw/zinc/51/58/22/1325515822.db2.gz JBLGGAVPCWAVMB-GDBMZVCRSA-N 2 1 337.305 3.414 20 0 EGADMP CC[NH+]1CCC([N@H+](C)CC2(CNC(=O)OC(C)(C)C)CCC2)CC1 ZINC000876560108 1298827738 /nfs/dbraw/zinc/82/77/38/1298827738.db2.gz FSNIFDGINZGVDE-UHFFFAOYSA-N 2 1 339.524 3.098 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)CC2(CNC(=O)OC(C)(C)C)CCC2)CC1 ZINC000876560108 1298827749 /nfs/dbraw/zinc/82/77/49/1298827749.db2.gz FSNIFDGINZGVDE-UHFFFAOYSA-N 2 1 339.524 3.098 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000876731450 1298943813 /nfs/dbraw/zinc/94/38/13/1298943813.db2.gz RBWFRGDDQMKELT-MRXNPFEDSA-N 2 1 333.476 3.417 20 0 EGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000876731450 1298943821 /nfs/dbraw/zinc/94/38/21/1298943821.db2.gz RBWFRGDDQMKELT-MRXNPFEDSA-N 2 1 333.476 3.417 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000876975335 1299097574 /nfs/dbraw/zinc/09/75/74/1299097574.db2.gz DCCFWGINQMIBSV-BLIXFSHQSA-N 2 1 336.483 3.365 20 0 EGADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000876975335 1299097586 /nfs/dbraw/zinc/09/75/86/1299097586.db2.gz DCCFWGINQMIBSV-BLIXFSHQSA-N 2 1 336.483 3.365 20 0 EGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCCCCC[NH+](C)C)C[C@H]1C ZINC000748961878 1299117376 /nfs/dbraw/zinc/11/73/76/1299117376.db2.gz XOXSYLNZLIMRAK-MSOLQXFVSA-N 2 1 340.556 3.013 20 0 EGADMP C[C@](O)(C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccco1 ZINC000877072801 1299144021 /nfs/dbraw/zinc/14/40/21/1299144021.db2.gz VXOAMKRRZPDLNT-DSKINZAPSA-N 2 1 340.467 3.445 20 0 EGADMP C[C@](O)(C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccco1 ZINC000877072801 1299144024 /nfs/dbraw/zinc/14/40/24/1299144024.db2.gz VXOAMKRRZPDLNT-DSKINZAPSA-N 2 1 340.467 3.445 20 0 EGADMP C[C@@H]1C[C@H](NCc2ccc(Cl)nn2)CC[N@H+]1Cc1ccccc1 ZINC000877076200 1299147280 /nfs/dbraw/zinc/14/72/80/1299147280.db2.gz NVIUZMGWGMZCFH-GDBMZVCRSA-N 2 1 330.863 3.273 20 0 EGADMP O=C1[C@@H]2CCCCC[C@H]2N1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000749939963 1299303460 /nfs/dbraw/zinc/30/34/60/1299303460.db2.gz WSXQOIIYNPXHDJ-WOJBJXKFSA-N 2 1 347.547 3.323 20 0 EGADMP C[C@@H](CCOCc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000877479181 1299329492 /nfs/dbraw/zinc/32/94/92/1299329492.db2.gz UGTXMHRAXOUABY-RBUKOAKNSA-N 2 1 334.504 3.072 20 0 EGADMP C[C@@H](CCOCc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000877479181 1299329503 /nfs/dbraw/zinc/32/95/03/1299329503.db2.gz UGTXMHRAXOUABY-RBUKOAKNSA-N 2 1 334.504 3.072 20 0 EGADMP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3cccc(CC4CCC4)c3)CC2)C1 ZINC000877640201 1299447504 /nfs/dbraw/zinc/44/75/04/1299447504.db2.gz KPFTWSLJFAPJNX-OAQYLSRUSA-N 2 1 328.500 3.060 20 0 EGADMP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3cccc(CC4CCC4)c3)CC2)C1 ZINC000877640201 1299447511 /nfs/dbraw/zinc/44/75/11/1299447511.db2.gz KPFTWSLJFAPJNX-OAQYLSRUSA-N 2 1 328.500 3.060 20 0 EGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000755055046 1300274320 /nfs/dbraw/zinc/27/43/20/1300274320.db2.gz JNCUOCZFGNBEEQ-IBGZPJMESA-N 2 1 339.524 3.051 20 0 EGADMP CC[NH+](CC)CCC[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000755055046 1300274323 /nfs/dbraw/zinc/27/43/23/1300274323.db2.gz JNCUOCZFGNBEEQ-IBGZPJMESA-N 2 1 339.524 3.051 20 0 EGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000756105102 1300440143 /nfs/dbraw/zinc/44/01/43/1300440143.db2.gz IOMUTELMUKXVET-UHFFFAOYSA-N 2 1 348.491 3.393 20 0 EGADMP COc1cc2c(cc1OC)[C@@H](C)[N@H+](CCCn1cc[nH+]c1C)CC2 ZINC000880089495 1300920806 /nfs/dbraw/zinc/92/08/06/1300920806.db2.gz DWCPYYNICZJRPP-CQSZACIVSA-N 2 1 329.444 3.218 20 0 EGADMP COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CCCn1cc[nH+]c1C)CC2 ZINC000880089495 1300920819 /nfs/dbraw/zinc/92/08/19/1300920819.db2.gz DWCPYYNICZJRPP-CQSZACIVSA-N 2 1 329.444 3.218 20 0 EGADMP FC[C@@H]1CC[NH+](Cc2cc(C[N@@H+]3CC[C@H](CF)C3)ccc2F)C1 ZINC000880300153 1301038155 /nfs/dbraw/zinc/03/81/55/1301038155.db2.gz OVAWPMJTIUPVLQ-CVEARBPZSA-N 2 1 326.406 3.409 20 0 EGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000760155057 1301227530 /nfs/dbraw/zinc/22/75/30/1301227530.db2.gz CBNDYEKNYPJWAT-LLVKDONJSA-N 2 1 334.291 3.195 20 0 EGADMP CCCCCCNC(=O)[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000760832155 1301347051 /nfs/dbraw/zinc/34/70/51/1301347051.db2.gz VSUKWXOHARYYTR-RTBURBONSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCCCNC(=O)[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000760832155 1301347062 /nfs/dbraw/zinc/34/70/62/1301347062.db2.gz VSUKWXOHARYYTR-RTBURBONSA-N 2 1 337.552 3.269 20 0 EGADMP CCCCCCNC(=O)[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000760832155 1301347074 /nfs/dbraw/zinc/34/70/74/1301347074.db2.gz VSUKWXOHARYYTR-RTBURBONSA-N 2 1 337.552 3.269 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000765349807 1302251620 /nfs/dbraw/zinc/25/16/20/1302251620.db2.gz NOHQOHFCKDMBKE-VBNZEHGJSA-N 2 1 330.394 3.059 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(Br)cc2F)CC[N@H+]1C ZINC000765872603 1302343693 /nfs/dbraw/zinc/34/36/93/1302343693.db2.gz XKVBIXFGOQSBLN-SMDDNHRTSA-N 2 1 329.257 3.203 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCOc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000766000883 1302364678 /nfs/dbraw/zinc/36/46/78/1302364678.db2.gz YTNFRLRWEIYXJZ-PKOBYXMFSA-N 2 1 325.456 3.103 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCOc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000766000883 1302364690 /nfs/dbraw/zinc/36/46/90/1302364690.db2.gz YTNFRLRWEIYXJZ-PKOBYXMFSA-N 2 1 325.456 3.103 20 0 EGADMP C[C@H](CSC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000766134639 1302397286 /nfs/dbraw/zinc/39/72/86/1302397286.db2.gz GNUNWSFMGTWFAW-APWZRJJASA-N 2 1 336.545 3.133 20 0 EGADMP C[C@H](CSC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000766134639 1302397297 /nfs/dbraw/zinc/39/72/97/1302397297.db2.gz GNUNWSFMGTWFAW-APWZRJJASA-N 2 1 336.545 3.133 20 0 EGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@H]3CC[C@@H](c4ccccc4)O3)C2)C1 ZINC000883434245 1302443550 /nfs/dbraw/zinc/44/35/50/1302443550.db2.gz KVSSQTLXEJKLHO-XKRYSZRTSA-N 2 1 344.499 3.125 20 0 EGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)nc2)[C@@H](C)C1 ZINC000766588228 1302483041 /nfs/dbraw/zinc/48/30/41/1302483041.db2.gz FTYDOLAHTVJRDN-RDJZCZTQSA-N 2 1 339.911 3.004 20 0 EGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000768237604 1302862648 /nfs/dbraw/zinc/86/26/48/1302862648.db2.gz QZFSBUPPJGKAGG-UHFFFAOYSA-N 2 1 333.863 3.307 20 0 EGADMP C[NH+](Cc1nccs1)[C@H]1CC[C@H]([N@@H+](C)Cc2nccs2)CC1 ZINC000886389492 1303453853 /nfs/dbraw/zinc/45/38/53/1303453853.db2.gz LLWJJXLYHKATLI-HDJSIYSDSA-N 2 1 336.530 3.475 20 0 EGADMP Cc1cc(C[NH+](C)[C@H]2CC[C@H]([N@@H+](C)Cc3cc(C)on3)CC2)no1 ZINC000886386644 1303454345 /nfs/dbraw/zinc/45/43/45/1303454345.db2.gz ARVTWDUFKNHZEW-IYARVYRRSA-N 2 1 332.448 3.154 20 0 EGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000886545649 1303494523 /nfs/dbraw/zinc/49/45/23/1303494523.db2.gz PLMMQVSIAPYZET-LAUBAEHRSA-N 2 1 343.515 3.059 20 0 EGADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)c2nncn2C)ccc1OC ZINC000775378816 1303950459 /nfs/dbraw/zinc/95/04/59/1303950459.db2.gz CBSJDMHQVSPUPR-CABCVRRESA-N 2 1 345.491 3.077 20 0 EGADMP CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](O)c2c(F)cccc2Cl)CC1 ZINC000775413035 1303960380 /nfs/dbraw/zinc/96/03/80/1303960380.db2.gz UTMJTAUWTKSCSE-YVEFUNNKSA-N 2 1 328.859 3.365 20 0 EGADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2cc(C)ncn2)ccc1OC ZINC000775415827 1303961583 /nfs/dbraw/zinc/96/15/83/1303961583.db2.gz OBKSJWCQCKSSNO-MRXNPFEDSA-N 2 1 342.487 3.486 20 0 EGADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000781423888 1304826449 /nfs/dbraw/zinc/82/64/49/1304826449.db2.gz UGZASGWFALXKFC-PSWRPDDJSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CCC[NH+]1CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000781423888 1304826453 /nfs/dbraw/zinc/82/64/53/1304826453.db2.gz UGZASGWFALXKFC-PSWRPDDJSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CCC[NH+]1CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000781423888 1304826454 /nfs/dbraw/zinc/82/64/54/1304826454.db2.gz UGZASGWFALXKFC-PSWRPDDJSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CCCN1CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000781423888 1304826457 /nfs/dbraw/zinc/82/64/57/1304826457.db2.gz UGZASGWFALXKFC-PSWRPDDJSA-N 2 1 341.543 3.361 20 0 EGADMP C[C@@H]1CCCN1CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000781423888 1304826461 /nfs/dbraw/zinc/82/64/61/1304826461.db2.gz UGZASGWFALXKFC-PSWRPDDJSA-N 2 1 341.543 3.361 20 0 EGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000783325236 1305080966 /nfs/dbraw/zinc/08/09/66/1305080966.db2.gz GLPKCYNNETWAHC-HZMVEIRTSA-N 2 1 339.524 3.142 20 0 EGADMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@H]3COC(C)(C)O3)cc2)CC1 ZINC000892379936 1305344260 /nfs/dbraw/zinc/34/42/60/1305344260.db2.gz KNXISAPGGPFWGY-IBGZPJMESA-N 2 1 347.503 3.028 20 0 EGADMP Cc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cnc1F ZINC000892524220 1305422879 /nfs/dbraw/zinc/42/28/79/1305422879.db2.gz JLYRMJRUBXJOHC-UHFFFAOYSA-N 2 1 327.447 3.326 20 0 EGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C3CCS(=O)CC3)cc2)C1 ZINC000892598989 1305460769 /nfs/dbraw/zinc/46/07/69/1305460769.db2.gz FOZNGPSNTAYQTC-ZRVNPNCUSA-N 2 1 348.556 3.165 20 0 EGADMP CCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(C)n1 ZINC000892737927 1305529793 /nfs/dbraw/zinc/52/97/93/1305529793.db2.gz OZWRQBMSAXTPIC-INIZCTEOSA-N 2 1 332.517 3.275 20 0 EGADMP CCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)n1 ZINC000892737927 1305529797 /nfs/dbraw/zinc/52/97/97/1305529797.db2.gz OZWRQBMSAXTPIC-INIZCTEOSA-N 2 1 332.517 3.275 20 0 EGADMP C[N@@H+]1C[C@@H]2C[NH+](CC(C)(C)c3ccc(Br)cc3)C[C@@H]2C1 ZINC000894082807 1306206897 /nfs/dbraw/zinc/20/68/97/1306206897.db2.gz ILWIAVOBARRJME-OKILXGFUSA-N 2 1 337.305 3.220 20 0 EGADMP C[NH+]1C[C@@H]2C[N@@H+](CC(C)(C)c3ccc(Br)cc3)C[C@@H]2C1 ZINC000894082807 1306206902 /nfs/dbraw/zinc/20/69/02/1306206902.db2.gz ILWIAVOBARRJME-OKILXGFUSA-N 2 1 337.305 3.220 20 0 EGADMP C[NH+]1C[C@@H]2C[N@H+](CC(C)(C)c3ccc(Br)cc3)C[C@@H]2C1 ZINC000894082807 1306206905 /nfs/dbraw/zinc/20/69/05/1306206905.db2.gz ILWIAVOBARRJME-OKILXGFUSA-N 2 1 337.305 3.220 20 0 EGADMP CCn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)c(-c2ccccc2)n1 ZINC000894086140 1306209903 /nfs/dbraw/zinc/20/99/03/1306209903.db2.gz CRCMPUSCQROLBN-KRWDZBQOSA-N 2 1 326.488 3.344 20 0 EGADMP CCn1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)c(-c2ccccc2)n1 ZINC000894086140 1306209908 /nfs/dbraw/zinc/20/99/08/1306209908.db2.gz CRCMPUSCQROLBN-KRWDZBQOSA-N 2 1 326.488 3.344 20 0 EGADMP CCn1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)c(-c2ccccc2)n1 ZINC000894086140 1306209912 /nfs/dbraw/zinc/20/99/12/1306209912.db2.gz CRCMPUSCQROLBN-KRWDZBQOSA-N 2 1 326.488 3.344 20 0 EGADMP CCn1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)c(-c2ccccc2)n1 ZINC000894086140 1306209918 /nfs/dbraw/zinc/20/99/18/1306209918.db2.gz CRCMPUSCQROLBN-KRWDZBQOSA-N 2 1 326.488 3.344 20 0 EGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2OCC(F)F)C1 ZINC000894086087 1306210160 /nfs/dbraw/zinc/21/01/60/1306210160.db2.gz ARLRDAPODXXSJF-MRXNPFEDSA-N 2 1 338.442 3.494 20 0 EGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2OCC(F)F)C1 ZINC000894086087 1306210167 /nfs/dbraw/zinc/21/01/67/1306210167.db2.gz ARLRDAPODXXSJF-MRXNPFEDSA-N 2 1 338.442 3.494 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccccc2OCC(F)F)C1 ZINC000894086087 1306210173 /nfs/dbraw/zinc/21/01/73/1306210173.db2.gz ARLRDAPODXXSJF-MRXNPFEDSA-N 2 1 338.442 3.494 20 0 EGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2OCC(F)F)C1 ZINC000894086087 1306210176 /nfs/dbraw/zinc/21/01/76/1306210176.db2.gz ARLRDAPODXXSJF-MRXNPFEDSA-N 2 1 338.442 3.494 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000894190692 1306268446 /nfs/dbraw/zinc/26/84/46/1306268446.db2.gz VHPUDZUONCFNKM-HNNXBMFYSA-N 2 1 343.471 3.084 20 0 EGADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000894190692 1306268457 /nfs/dbraw/zinc/26/84/57/1306268457.db2.gz VHPUDZUONCFNKM-HNNXBMFYSA-N 2 1 343.471 3.084 20 0 EGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000894331615 1306346520 /nfs/dbraw/zinc/34/65/20/1306346520.db2.gz HZXDCWWNPJAWJQ-NHCUHLMSSA-N 2 1 339.483 3.092 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000895541599 1309391147 /nfs/dbraw/zinc/39/11/47/1309391147.db2.gz OUIMPYMISHLLLG-ROUUACIJSA-N 2 1 343.515 3.105 20 0 EGADMP Cc1cc([C@H](C)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793565357 1309405836 /nfs/dbraw/zinc/40/58/36/1309405836.db2.gz KBJDWMZYYDAVOY-FXAWDEMLSA-N 2 1 326.488 3.291 20 0 EGADMP Cc1cc([C@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000793565357 1309405843 /nfs/dbraw/zinc/40/58/43/1309405843.db2.gz KBJDWMZYYDAVOY-FXAWDEMLSA-N 2 1 326.488 3.291 20 0 EGADMP CC[NH+](CC)[C@@H](C[NH2+]CC1CCC2(CC1)OCCO2)CC(C)C ZINC000795893267 1309855924 /nfs/dbraw/zinc/85/59/24/1309855924.db2.gz BMJSREZXJVGASO-GOSISDBHSA-N 2 1 326.525 3.266 20 0 EGADMP Clc1nc2cc(Cl)ccn2c1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000796267800 1309948539 /nfs/dbraw/zinc/94/85/39/1309948539.db2.gz YZRCPFZQODHLBK-STQMWFEESA-N 2 1 339.270 3.358 20 0 EGADMP CCC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H](O)c1ccccc1 ZINC000796363413 1309979064 /nfs/dbraw/zinc/97/90/64/1309979064.db2.gz OKEZDIDULQEUFH-FUHWJXTLSA-N 2 1 333.501 3.197 20 0 EGADMP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178292 1310500670 /nfs/dbraw/zinc/50/06/70/1310500670.db2.gz QYWMCWYPUXRNHX-YRXWBPOGSA-N 2 1 349.563 3.124 20 0 EGADMP C(=C\C[N@H+]1CC[C@H](c2ccccn2)C1)\C[NH+]1CC[C@H](c2ccccn2)C1 ZINC000799192910 1310506382 /nfs/dbraw/zinc/50/63/82/1310506382.db2.gz FBUHRQSRJYNRKS-XHHZUUQWSA-N 2 1 348.494 3.312 20 0 EGADMP C[C@@]1(C[NH2+][C@@H]2CCC23CCOCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000800490742 1310767889 /nfs/dbraw/zinc/76/78/89/1310767889.db2.gz JPCUWFYQGRZKEJ-UXHICEINSA-N 2 1 328.500 3.447 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)OCCCn2cc[nH+]c2C)cc1 ZINC000801426466 1310935518 /nfs/dbraw/zinc/93/55/18/1310935518.db2.gz FAVCXGNMTQFUAC-UHFFFAOYSA-N 2 1 329.444 3.280 20 0 EGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000900230221 1317255640 /nfs/dbraw/zinc/25/56/40/1317255640.db2.gz YWDIRQLEZIVYCN-WOJBJXKFSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900230221 1317255648 /nfs/dbraw/zinc/25/56/48/1317255648.db2.gz YWDIRQLEZIVYCN-WOJBJXKFSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900230221 1317255657 /nfs/dbraw/zinc/25/56/57/1317255657.db2.gz YWDIRQLEZIVYCN-WOJBJXKFSA-N 2 1 343.515 3.160 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001019468321 1317262900 /nfs/dbraw/zinc/26/29/00/1317262900.db2.gz PNXVGXCUYMDOCC-VQTJNVASSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)c1ncccn1 ZINC000929754184 1328689295 /nfs/dbraw/zinc/68/92/95/1328689295.db2.gz CUFYSVDOADNSQV-MRXNPFEDSA-N 2 1 325.460 3.171 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001020151227 1317565306 /nfs/dbraw/zinc/56/53/06/1317565306.db2.gz POYWGWSVACEQOD-LWYYNNOASA-N 2 1 347.547 3.068 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001020214179 1317596552 /nfs/dbraw/zinc/59/65/52/1317596552.db2.gz LCUDCTCODMVOHK-UFYCRDLUSA-N 2 1 349.563 3.458 20 0 EGADMP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001020240038 1317604785 /nfs/dbraw/zinc/60/47/85/1317604785.db2.gz SIPOPPUMBHMPFV-BJLQDIEVSA-N 2 1 347.547 3.211 20 0 EGADMP COC(=O)c1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(C)c1 ZINC000902775765 1317615646 /nfs/dbraw/zinc/61/56/46/1317615646.db2.gz AYLKRXQJRNPKFF-OAHLLOKOSA-N 2 1 330.472 3.449 20 0 EGADMP CC[N@@H+](CC1CCC1)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000957767905 1317630694 /nfs/dbraw/zinc/63/06/94/1317630694.db2.gz CRDFYLNZYZKQEG-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](CC1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1)C(C)C ZINC000957778098 1317642027 /nfs/dbraw/zinc/64/20/27/1317642027.db2.gz OVKWGTOFJKPLQB-UHFFFAOYSA-N 2 1 345.531 3.331 20 0 EGADMP c1ccc2c(c1)CC[NH+](CCCNC1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)C2 ZINC000903061828 1317645002 /nfs/dbraw/zinc/64/50/02/1317645002.db2.gz KRBJYLHXFNZTGJ-XDNSSPFJSA-N 2 1 339.527 3.182 20 0 EGADMP c1ccc2c(c1)CC[N@@H+](CCCNC1C[C@H]3CC[C@@H](C1)[NH+]3C1CC1)C2 ZINC000903061828 1317645004 /nfs/dbraw/zinc/64/50/04/1317645004.db2.gz KRBJYLHXFNZTGJ-XDNSSPFJSA-N 2 1 339.527 3.182 20 0 EGADMP c1ccc2c(c1)CC[N@H+](CCCNC1C[C@H]3CC[C@@H](C1)[NH+]3C1CC1)C2 ZINC000903061828 1317645013 /nfs/dbraw/zinc/64/50/13/1317645013.db2.gz KRBJYLHXFNZTGJ-XDNSSPFJSA-N 2 1 339.527 3.182 20 0 EGADMP c1ccc2c(c1)CCN(CCC[NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)C2 ZINC000903061828 1317645020 /nfs/dbraw/zinc/64/50/20/1317645020.db2.gz KRBJYLHXFNZTGJ-XDNSSPFJSA-N 2 1 339.527 3.182 20 0 EGADMP c1ccc2c(c1)CCN(CCC[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)C2 ZINC000903061828 1317645026 /nfs/dbraw/zinc/64/50/26/1317645026.db2.gz KRBJYLHXFNZTGJ-XDNSSPFJSA-N 2 1 339.527 3.182 20 0 EGADMP C[NH+](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(F)cc1 ZINC000903071702 1317647629 /nfs/dbraw/zinc/64/76/29/1317647629.db2.gz AFSYPYCBOZBQTR-ZNBHLAFESA-N 2 1 331.479 3.176 20 0 EGADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(F)cc1 ZINC000903071702 1317647637 /nfs/dbraw/zinc/64/76/37/1317647637.db2.gz AFSYPYCBOZBQTR-ZNBHLAFESA-N 2 1 331.479 3.176 20 0 EGADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(F)cc1 ZINC000903071702 1317647647 /nfs/dbraw/zinc/64/76/47/1317647647.db2.gz AFSYPYCBOZBQTR-ZNBHLAFESA-N 2 1 331.479 3.176 20 0 EGADMP c1cc2c(cc1C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)OCCCO2 ZINC000903087603 1317651152 /nfs/dbraw/zinc/65/11/52/1317651152.db2.gz DTEKOTLVZAXMQY-ZNXRZULTSA-N 2 1 328.456 3.095 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001020339526 1317651799 /nfs/dbraw/zinc/65/17/99/1317651799.db2.gz SKBRZSISVGHQNK-VBSBHUPXSA-N 2 1 343.515 3.105 20 0 EGADMP c1ccc(N2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cc1 ZINC000903098928 1317653408 /nfs/dbraw/zinc/65/34/08/1317653408.db2.gz VSMDGNWLHSVGOQ-IZBPLUDHSA-N 2 1 325.500 3.403 20 0 EGADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1c(F)cccc1Cl ZINC000903121454 1317656900 /nfs/dbraw/zinc/65/69/00/1317656900.db2.gz RAVWHKFQBXRBRT-HOWNWNINSA-N 2 1 338.854 3.260 20 0 EGADMP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)NC(=O)OC(C)(C)C ZINC000903179683 1317668758 /nfs/dbraw/zinc/66/87/58/1317668758.db2.gz SRXVMBGQJFYKKN-YTTRVJOFSA-N 2 1 337.508 3.037 20 0 EGADMP CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000808720210 1317722298 /nfs/dbraw/zinc/72/22/98/1317722298.db2.gz PWZBIPAPYAHDKK-CQSZACIVSA-N 2 1 346.475 3.122 20 0 EGADMP CCOc1ccc([C@H]2CCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903717901 1317724634 /nfs/dbraw/zinc/72/46/34/1317724634.db2.gz FOAQPEAADMZYSC-WOJBJXKFSA-N 2 1 344.499 3.381 20 0 EGADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733250 1317726726 /nfs/dbraw/zinc/72/67/26/1317726726.db2.gz JCRFTFCDNWNCRJ-SZVBFZGTSA-N 2 1 332.463 3.162 20 0 EGADMP C[C@@H]1C[C@@H](N(C)C[C@H]2CCCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000903739130 1317728310 /nfs/dbraw/zinc/72/83/10/1317728310.db2.gz CRJADZKHFJFRON-GIVPXCGWSA-N 2 1 329.532 3.361 20 0 EGADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903735413 1317728434 /nfs/dbraw/zinc/72/84/34/1317728434.db2.gz ZSEBTLDPZQECFP-GJYPPUQNSA-N 2 1 332.463 3.367 20 0 EGADMP FC(F)(F)[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)O1 ZINC000903769197 1317731351 /nfs/dbraw/zinc/73/13/51/1317731351.db2.gz ZMNJLAPXTGXFRK-PMPSAXMXSA-N 2 1 334.426 3.198 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1c1ccccc1 ZINC000903782003 1317733206 /nfs/dbraw/zinc/73/32/06/1317733206.db2.gz CUFRRQAMBLYQAI-YZGWKJHDSA-N 2 1 328.500 3.271 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001020508895 1317734307 /nfs/dbraw/zinc/73/43/07/1317734307.db2.gz GABSLSINWMMDGT-PJVZLEMVSA-N 2 1 343.515 3.023 20 0 EGADMP CO[C@@H](C)c1nc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cs1 ZINC000903792514 1317735586 /nfs/dbraw/zinc/73/55/86/1317735586.db2.gz CNYQPCJVWUYRHO-HNNXBMFYSA-N 2 1 345.512 3.343 20 0 EGADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000903887328 1317741509 /nfs/dbraw/zinc/74/15/09/1317741509.db2.gz YRFWGABBATWLIG-LJQANCHMSA-N 2 1 339.487 3.005 20 0 EGADMP [NH3+][C@H](C[NH2+][C@H](c1ccccc1)C1(CO)CCCCC1)CC(F)F ZINC000903929677 1317750744 /nfs/dbraw/zinc/75/07/44/1317750744.db2.gz JGBRDCTVAMWNDP-DOTOQJQBSA-N 2 1 326.431 3.243 20 0 EGADMP CC(C)([NH3+])CC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000903938705 1317751574 /nfs/dbraw/zinc/75/15/74/1317751574.db2.gz HVYLIICRJWVRER-UHFFFAOYSA-N 2 1 337.265 3.056 20 0 EGADMP COc1cccc(C[N@H+](C[C@@H]2CCCO2)C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000904313654 1317828837 /nfs/dbraw/zinc/82/88/37/1317828837.db2.gz JFYBHTJDHBFKPM-PMACEKPBSA-N 2 1 332.488 3.066 20 0 EGADMP COc1cccc(C[N@@H+](C[C@@H]2CCCO2)C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000904313654 1317828848 /nfs/dbraw/zinc/82/88/48/1317828848.db2.gz JFYBHTJDHBFKPM-PMACEKPBSA-N 2 1 332.488 3.066 20 0 EGADMP CCc1nn(C)c(CC)c1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809737980 1317885127 /nfs/dbraw/zinc/88/51/27/1317885127.db2.gz OLDYNFDHOZLXLM-UHFFFAOYSA-N 2 1 328.504 3.239 20 0 EGADMP C[C@H](C[NH2+][C@H](C)c1ccc(Br)nc1)C[NH+]1CCCC1 ZINC000810210858 1317976223 /nfs/dbraw/zinc/97/62/23/1317976223.db2.gz GBRSPVAJYQCUSA-CHWSQXEVSA-N 2 1 326.282 3.227 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001021096306 1318079295 /nfs/dbraw/zinc/07/92/95/1318079295.db2.gz MWUKZBUASYZWBS-VAMGGRTRSA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001021308308 1318180938 /nfs/dbraw/zinc/18/09/38/1318180938.db2.gz ZSNOPFCSBSWOEG-NXEWRWPSSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001021308308 1318180947 /nfs/dbraw/zinc/18/09/47/1318180947.db2.gz ZSNOPFCSBSWOEG-NXEWRWPSSA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001021308308 1318180951 /nfs/dbraw/zinc/18/09/51/1318180951.db2.gz ZSNOPFCSBSWOEG-NXEWRWPSSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2CCCC2)C1 ZINC001021380451 1318223322 /nfs/dbraw/zinc/22/33/22/1318223322.db2.gz GYKDYMBPBCSFGE-OHSMVPPVSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CCCC2)C1 ZINC001021380451 1318223330 /nfs/dbraw/zinc/22/33/30/1318223330.db2.gz GYKDYMBPBCSFGE-OHSMVPPVSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000960007706 1318309512 /nfs/dbraw/zinc/30/95/12/1318309512.db2.gz PZDHCIMORGOQHR-PMACEKPBSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000960033913 1318320353 /nfs/dbraw/zinc/32/03/53/1318320353.db2.gz VGUZLPWCXZAPGB-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC000960098537 1318353520 /nfs/dbraw/zinc/35/35/20/1318353520.db2.gz SZEOPOOZSNKBSE-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCCC2)C1 ZINC000960187027 1318400207 /nfs/dbraw/zinc/40/02/07/1318400207.db2.gz BXPCGQBSAWMHFM-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000813168870 1318509394 /nfs/dbraw/zinc/50/93/94/1318509394.db2.gz CNOHGSQBKGDMAC-SFHVURJKSA-N 2 1 343.515 3.277 20 0 EGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000813168870 1318509397 /nfs/dbraw/zinc/50/93/97/1318509397.db2.gz CNOHGSQBKGDMAC-SFHVURJKSA-N 2 1 343.515 3.277 20 0 EGADMP COC(=O)[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CC(C)C ZINC000813333763 1318535750 /nfs/dbraw/zinc/53/57/50/1318535750.db2.gz QTTLQVORUKHACX-SFHVURJKSA-N 2 1 332.488 3.076 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021705966 1318579119 /nfs/dbraw/zinc/57/91/19/1318579119.db2.gz HQQQIGAYNULPIJ-VQTJNVASSA-N 2 1 349.563 3.076 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC000960631024 1318756343 /nfs/dbraw/zinc/75/63/43/1318756343.db2.gz ZLDICYNDAMAKFD-RBUKOAKNSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC000960631024 1318756349 /nfs/dbraw/zinc/75/63/49/1318756349.db2.gz ZLDICYNDAMAKFD-RBUKOAKNSA-N 2 1 349.563 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC000960631024 1318756355 /nfs/dbraw/zinc/75/63/55/1318756355.db2.gz ZLDICYNDAMAKFD-RBUKOAKNSA-N 2 1 349.563 3.218 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001022071560 1318787800 /nfs/dbraw/zinc/78/78/00/1318787800.db2.gz TYVLJORJSXKZGK-FTEYMNFISA-N 2 1 343.515 3.166 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001022070261 1318787823 /nfs/dbraw/zinc/78/78/23/1318787823.db2.gz TYIRPINWKSJXRK-CEXWTWQISA-N 2 1 349.563 3.312 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC001022293094 1318880119 /nfs/dbraw/zinc/88/01/19/1318880119.db2.gz QSPYOKIMTBKVPB-FTEYMNFISA-N 2 1 343.515 3.086 20 0 EGADMP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001022601267 1319009806 /nfs/dbraw/zinc/00/98/06/1319009806.db2.gz IOCZUTUZHYNEDT-CZKCSJLSSA-N 2 1 343.515 3.023 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000960868275 1319011940 /nfs/dbraw/zinc/01/19/40/1319011940.db2.gz ZUMVPIRTPUNOAL-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000960868275 1319011947 /nfs/dbraw/zinc/01/19/47/1319011947.db2.gz ZUMVPIRTPUNOAL-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)C[C@@H]1CCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000960868275 1319011953 /nfs/dbraw/zinc/01/19/53/1319011953.db2.gz ZUMVPIRTPUNOAL-IBGZPJMESA-N 2 1 347.547 3.142 20 0 EGADMP Cc1cc(F)ccc1[C@H](C)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000815582229 1319021061 /nfs/dbraw/zinc/02/10/61/1319021061.db2.gz ASNYRYHKSKENCJ-UWJYYQICSA-N 2 1 342.458 3.422 20 0 EGADMP Cc1cc(F)ccc1[C@H](C)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000815582229 1319021062 /nfs/dbraw/zinc/02/10/62/1319021062.db2.gz ASNYRYHKSKENCJ-UWJYYQICSA-N 2 1 342.458 3.422 20 0 EGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000815582229 1319021070 /nfs/dbraw/zinc/02/10/70/1319021070.db2.gz ASNYRYHKSKENCJ-UWJYYQICSA-N 2 1 342.458 3.422 20 0 EGADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000815582229 1319021074 /nfs/dbraw/zinc/02/10/74/1319021074.db2.gz ASNYRYHKSKENCJ-UWJYYQICSA-N 2 1 342.458 3.422 20 0 EGADMP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)c1ccccc1Cl ZINC001022712669 1319079079 /nfs/dbraw/zinc/07/90/79/1319079079.db2.gz XFDWZCNGBFLXON-XUWVNRHRSA-N 2 1 349.906 3.122 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC[C@H]2C[N@@H+](C)CC2=CCCCC2)CC1 ZINC000960940275 1319079363 /nfs/dbraw/zinc/07/93/63/1319079363.db2.gz MNUUAXUKJVVWJU-FQEVSTJZSA-N 2 1 347.547 3.142 20 0 EGADMP C[N@H+](CC1=CCCCC1)C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC000961029818 1319154696 /nfs/dbraw/zinc/15/46/96/1319154696.db2.gz ZRBXTZARCOSOGC-FQEVSTJZSA-N 2 1 347.547 3.286 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001022956688 1319187387 /nfs/dbraw/zinc/18/73/87/1319187387.db2.gz CEQKZVMSRVCIFW-HSALFYBXSA-N 2 1 343.515 3.078 20 0 EGADMP CCCn1ccnc1CCC[N@@H+](C)CN1CCC(CC)(CC)C1=O ZINC000817362744 1319338393 /nfs/dbraw/zinc/33/83/93/1319338393.db2.gz XTWVWOLMJGWHPW-UHFFFAOYSA-N 2 1 334.508 3.154 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961288483 1319447257 /nfs/dbraw/zinc/44/72/57/1319447257.db2.gz WZOYARNXMHTKKZ-OALUTQOASA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000817891299 1319453586 /nfs/dbraw/zinc/45/35/86/1319453586.db2.gz JQCNUGNHETXYKN-OIISXLGYSA-N 2 1 344.421 3.337 20 0 EGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000817891300 1319453664 /nfs/dbraw/zinc/45/36/64/1319453664.db2.gz JQCNUGNHETXYKN-PVAVHDDUSA-N 2 1 344.421 3.337 20 0 EGADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900010 1319455615 /nfs/dbraw/zinc/45/56/15/1319455615.db2.gz JMQBPNDHQLRXDQ-WYNBGMTASA-N 2 1 329.532 3.332 20 0 EGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCCc2cn(C(C)C)nc21 ZINC000817922883 1319461555 /nfs/dbraw/zinc/46/15/55/1319461555.db2.gz NPSBPASETHELJU-RDTXWAMCSA-N 2 1 327.476 3.354 20 0 EGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000817957318 1319476347 /nfs/dbraw/zinc/47/63/47/1319476347.db2.gz AQUUZHUZAAHJRZ-BEFAXECRSA-N 2 1 329.488 3.372 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001023364881 1319476832 /nfs/dbraw/zinc/47/68/32/1319476832.db2.gz RXUXKYYRHTZEQJ-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001023364881 1319476841 /nfs/dbraw/zinc/47/68/41/1319476841.db2.gz RXUXKYYRHTZEQJ-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001023364881 1319476846 /nfs/dbraw/zinc/47/68/46/1319476846.db2.gz RXUXKYYRHTZEQJ-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1Cn1cccn1 ZINC000817981673 1319485672 /nfs/dbraw/zinc/48/56/72/1319485672.db2.gz MHUZPFLGXAOEIY-HNAYVOBHSA-N 2 1 342.487 3.108 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414263 1319517971 /nfs/dbraw/zinc/51/79/71/1319517971.db2.gz PAIGJXDMBZHGGO-UYAOXDASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414263 1319517980 /nfs/dbraw/zinc/51/79/80/1319517980.db2.gz PAIGJXDMBZHGGO-UYAOXDASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414263 1319517990 /nfs/dbraw/zinc/51/79/90/1319517990.db2.gz PAIGJXDMBZHGGO-UYAOXDASSA-N 2 1 347.547 3.188 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001023457351 1319559495 /nfs/dbraw/zinc/55/94/95/1319559495.db2.gz NMIQHLXHRLNFOE-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001023457351 1319559501 /nfs/dbraw/zinc/55/95/01/1319559501.db2.gz NMIQHLXHRLNFOE-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001023457351 1319559510 /nfs/dbraw/zinc/55/95/10/1319559510.db2.gz NMIQHLXHRLNFOE-WOJBJXKFSA-N 2 1 349.563 3.125 20 0 EGADMP Cc1ccc(NCCC[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)[nH+]c1 ZINC000819129947 1319643538 /nfs/dbraw/zinc/64/35/38/1319643538.db2.gz PWMHHZSXEISLOH-MRXNPFEDSA-N 2 1 337.826 3.308 20 0 EGADMP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001023561024 1319673376 /nfs/dbraw/zinc/67/33/76/1319673376.db2.gz WRXATCXWNQGXSO-MRXNPFEDSA-N 2 1 349.519 3.219 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001023761842 1319909072 /nfs/dbraw/zinc/90/90/72/1319909072.db2.gz KMABBJYAVPHCPT-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001023761842 1319909082 /nfs/dbraw/zinc/90/90/82/1319909082.db2.gz KMABBJYAVPHCPT-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001023761842 1319909094 /nfs/dbraw/zinc/90/90/94/1319909094.db2.gz KMABBJYAVPHCPT-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000822455948 1320083546 /nfs/dbraw/zinc/08/35/46/1320083546.db2.gz NGBDAMNVNXKBFS-BRWVUGGUSA-N 2 1 339.524 3.096 20 0 EGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@@H]([NH3+])C2CC2)c1 ZINC000827239492 1320437392 /nfs/dbraw/zinc/43/73/92/1320437392.db2.gz BGESVKRPAYLZJL-QGZVFWFLSA-N 2 1 326.444 3.121 20 0 EGADMP c1nc(C2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)n[nH]1 ZINC000839503574 1320929460 /nfs/dbraw/zinc/92/94/60/1320929460.db2.gz UGIBLAJFYPJVCE-UHFFFAOYSA-N 2 1 339.487 3.170 20 0 EGADMP Cc1ccc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)nn1 ZINC000840906754 1321174556 /nfs/dbraw/zinc/17/45/56/1321174556.db2.gz RSHLNRZLYGATDO-UHFFFAOYSA-N 2 1 339.487 3.175 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCC(=O)Nc2ccccc2F)cc1 ZINC000859214224 1328947663 /nfs/dbraw/zinc/94/76/63/1328947663.db2.gz OBZLSKBDZKOZJE-UHFFFAOYSA-N 2 1 343.446 3.348 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc(F)cc2)cc1 ZINC000859211722 1328947146 /nfs/dbraw/zinc/94/71/46/1328947146.db2.gz CAAQQTUSHHPWKE-UHFFFAOYSA-N 2 1 343.446 3.348 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215407 1328948983 /nfs/dbraw/zinc/94/89/83/1328948983.db2.gz GFOHKAJGHYGVLN-MBOZVWFJSA-N 2 1 345.531 3.263 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215407 1328948986 /nfs/dbraw/zinc/94/89/86/1328948986.db2.gz GFOHKAJGHYGVLN-MBOZVWFJSA-N 2 1 345.531 3.263 20 0 EGADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214836 1328947897 /nfs/dbraw/zinc/94/78/97/1328947897.db2.gz PCHZZYMWUVLHFU-XLIONFOSSA-N 2 1 345.531 3.217 20 0 EGADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214836 1328947900 /nfs/dbraw/zinc/94/79/00/1328947900.db2.gz PCHZZYMWUVLHFU-XLIONFOSSA-N 2 1 345.531 3.217 20 0 EGADMP Cc1cccc(C(=O)N2CCC[N@@H+](CCCCCCC[NH3+])CC2)c1 ZINC000842471647 1321392738 /nfs/dbraw/zinc/39/27/38/1321392738.db2.gz OPMURFANBGWNAY-UHFFFAOYSA-N 2 1 331.504 3.052 20 0 EGADMP Cc1ccc2c(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc(=O)oc2c1C ZINC000842474130 1321393792 /nfs/dbraw/zinc/39/37/92/1321393792.db2.gz GBRJDTHWXKZNRL-QFBILLFUSA-N 2 1 340.467 3.374 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000842509836 1321398560 /nfs/dbraw/zinc/39/85/60/1321398560.db2.gz IQDALYMRYWYQRM-UHFFFAOYSA-N 2 1 338.521 3.061 20 0 EGADMP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000843128046 1321474465 /nfs/dbraw/zinc/47/44/65/1321474465.db2.gz HHBHYGQDVNRXGZ-KGLIPLIRSA-N 2 1 334.895 3.417 20 0 EGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1nc(Br)cs1 ZINC000843343636 1321502946 /nfs/dbraw/zinc/50/29/46/1321502946.db2.gz BSMQEOIOZAUZCH-SECBINFHSA-N 2 1 326.263 3.215 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)C1 ZINC000843349244 1321503272 /nfs/dbraw/zinc/50/32/72/1321503272.db2.gz OCVFEJWVKCLOBN-HNNXBMFYSA-N 2 1 328.456 3.266 20 0 EGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)C1 ZINC000843349244 1321503275 /nfs/dbraw/zinc/50/32/75/1321503275.db2.gz OCVFEJWVKCLOBN-HNNXBMFYSA-N 2 1 328.456 3.266 20 0 EGADMP CC[C@H](NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000843355419 1321505273 /nfs/dbraw/zinc/50/52/73/1321505273.db2.gz NZNDSPBZRHJMQH-JCYILVPMSA-N 2 1 337.895 3.109 20 0 EGADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)c2cc1C(C)C ZINC000843364895 1321507057 /nfs/dbraw/zinc/50/70/57/1321507057.db2.gz UHKJVHNQLIADDE-GJZGRUSLSA-N 2 1 328.456 3.394 20 0 EGADMP CCc1ccc2c(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cc(=O)oc2c1 ZINC000846226430 1321778563 /nfs/dbraw/zinc/77/85/63/1321778563.db2.gz NASNLVGFJKBLMH-KDOFPFPSSA-N 2 1 328.456 3.305 20 0 EGADMP ClC1(Cl)C[C@@H]1CCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848555842 1321975485 /nfs/dbraw/zinc/97/54/85/1321975485.db2.gz GCHQBQSOOLZPME-DZGCQCFKSA-N 2 1 335.319 3.193 20 0 EGADMP Cc1ccc(CNC(=[NH2+])NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000849062416 1322063598 /nfs/dbraw/zinc/06/35/98/1322063598.db2.gz HFNRNKQCTNDGHG-UHFFFAOYSA-N 2 1 336.483 3.057 20 0 EGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000849066421 1322063794 /nfs/dbraw/zinc/06/37/94/1322063794.db2.gz WSWKBIJJLHGEHD-KRWDZBQOSA-N 2 1 341.503 3.191 20 0 EGADMP Cc1ccc(CNC(=[NH2+])NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000849071257 1322066506 /nfs/dbraw/zinc/06/65/06/1322066506.db2.gz ZPCYQKKVNDDTRI-QGZVFWFLSA-N 2 1 336.483 3.056 20 0 EGADMP Cc1ccc(CNC(=[NH2+])NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000849071257 1322066511 /nfs/dbraw/zinc/06/65/11/1322066511.db2.gz ZPCYQKKVNDDTRI-QGZVFWFLSA-N 2 1 336.483 3.056 20 0 EGADMP C[C@@H]1CCCN(C(=[NH2+])NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000849075788 1322068115 /nfs/dbraw/zinc/06/81/15/1322068115.db2.gz LJSVGVHIIMYNEG-YLJYHZDGSA-N 2 1 328.504 3.155 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)c2ccccc2)cc1F ZINC000920425395 1322175907 /nfs/dbraw/zinc/17/59/07/1322175907.db2.gz IXESVVJSFOPOSZ-IBGZPJMESA-N 2 1 325.387 3.143 20 0 EGADMP O=C(CCCC[NH+]1CCCC1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000920768909 1322220228 /nfs/dbraw/zinc/22/02/28/1322220228.db2.gz LLRDOOGCZRPITL-UHFFFAOYSA-N 2 1 349.563 3.367 20 0 EGADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000850285133 1322222382 /nfs/dbraw/zinc/22/23/82/1322222382.db2.gz GMCIABBPONZGLC-OAQYLSRUSA-N 2 1 338.499 3.299 20 0 EGADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000850285133 1322222387 /nfs/dbraw/zinc/22/23/87/1322222387.db2.gz GMCIABBPONZGLC-OAQYLSRUSA-N 2 1 338.499 3.299 20 0 EGADMP CCOC(=O)NC1CCC([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000850427456 1322246612 /nfs/dbraw/zinc/24/66/12/1322246612.db2.gz UDBSLDJWGXSNKB-GTPINHCMSA-N 2 1 339.524 3.144 20 0 EGADMP CCOC(=O)NC1CCC([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000850427456 1322246620 /nfs/dbraw/zinc/24/66/20/1322246620.db2.gz UDBSLDJWGXSNKB-GTPINHCMSA-N 2 1 339.524 3.144 20 0 EGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)OCc2cccnc2N)cc1 ZINC000922483138 1322539234 /nfs/dbraw/zinc/53/92/34/1322539234.db2.gz PVSHFCOJQUYAQD-UHFFFAOYSA-N 2 1 327.428 3.253 20 0 EGADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000923489672 1322760449 /nfs/dbraw/zinc/76/04/49/1322760449.db2.gz GCBJGDBREJCXRC-MRXNPFEDSA-N 2 1 339.439 3.088 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC3CCCCC3)C2)CC[N@H+]1C ZINC001023995216 1323068121 /nfs/dbraw/zinc/06/81/21/1323068121.db2.gz LGNQNTLBZCLZPW-HSALFYBXSA-N 2 1 349.563 3.125 20 0 EGADMP CC(=O)N[C@@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000924629741 1323083675 /nfs/dbraw/zinc/08/36/75/1323083675.db2.gz XHEDIIJXDLGOMR-FOIQADDNSA-N 2 1 349.494 3.101 20 0 EGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000924634157 1323085506 /nfs/dbraw/zinc/08/55/06/1323085506.db2.gz ACTRVYVCFFUMIV-UHFFFAOYSA-N 2 1 330.520 3.282 20 0 EGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cnnn1-c1ccccc1 ZINC000924688270 1323113896 /nfs/dbraw/zinc/11/38/96/1323113896.db2.gz SIWBMPOEEPZUHF-QZTJIDSGSA-N 2 1 341.503 3.430 20 0 EGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000851924710 1323114925 /nfs/dbraw/zinc/11/49/25/1323114925.db2.gz QAVDOPHQDNWDKP-WBVHZDCISA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000851924710 1323114936 /nfs/dbraw/zinc/11/49/36/1323114936.db2.gz QAVDOPHQDNWDKP-WBVHZDCISA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000851924710 1323114944 /nfs/dbraw/zinc/11/49/44/1323114944.db2.gz QAVDOPHQDNWDKP-WBVHZDCISA-N 2 1 344.421 3.196 20 0 EGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000851924710 1323114951 /nfs/dbraw/zinc/11/49/51/1323114951.db2.gz QAVDOPHQDNWDKP-WBVHZDCISA-N 2 1 344.421 3.196 20 0 EGADMP CCNC(=O)c1cccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)c1 ZINC000924816670 1323175610 /nfs/dbraw/zinc/17/56/10/1323175610.db2.gz GHHPYJYSMIGCIZ-UHFFFAOYSA-N 2 1 331.504 3.036 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024156401 1323178724 /nfs/dbraw/zinc/17/87/24/1323178724.db2.gz MWNFOTBRGYSTHZ-AZUAARDMSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)nn1 ZINC000924940549 1323222391 /nfs/dbraw/zinc/22/23/91/1323222391.db2.gz LLRDEKVGXHSBBK-MRXNPFEDSA-N 2 1 345.491 3.040 20 0 EGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(-c2ccccc2)no1 ZINC000924967252 1323232273 /nfs/dbraw/zinc/23/22/73/1323232273.db2.gz WGSRBEQHLVTABW-KRWDZBQOSA-N 2 1 342.487 3.020 20 0 EGADMP FC(F)(F)c1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852744487 1323235007 /nfs/dbraw/zinc/23/50/07/1323235007.db2.gz BOCKEUOCANQHHS-BBRMVZONSA-N 2 1 340.389 3.363 20 0 EGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CC(SC)C3)CC2)cs1 ZINC000925030194 1323250814 /nfs/dbraw/zinc/25/08/14/1323250814.db2.gz GNKXYXNYNWCVCZ-UHFFFAOYSA-N 2 1 339.574 3.401 20 0 EGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925058304 1323260036 /nfs/dbraw/zinc/26/00/36/1323260036.db2.gz XSNCGOUNVWMNJP-LAUBAEHRSA-N 3 1 345.531 3.042 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCC2(CC2)CC1 ZINC001024366703 1323339658 /nfs/dbraw/zinc/33/96/58/1323339658.db2.gz UTHUIZWOATYUQX-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001024366703 1323339664 /nfs/dbraw/zinc/33/96/64/1323339664.db2.gz UTHUIZWOATYUQX-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCC2(CC2)CC1 ZINC001024366703 1323339668 /nfs/dbraw/zinc/33/96/68/1323339668.db2.gz UTHUIZWOATYUQX-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC1CCCC1 ZINC001024437870 1323398431 /nfs/dbraw/zinc/39/84/31/1323398431.db2.gz XVURNPSBZZPVTD-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024437870 1323398436 /nfs/dbraw/zinc/39/84/36/1323398436.db2.gz XVURNPSBZZPVTD-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024437870 1323398444 /nfs/dbraw/zinc/39/84/44/1323398444.db2.gz XVURNPSBZZPVTD-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2CCCCCC2)CC[N@H+]1C ZINC001024446934 1323406051 /nfs/dbraw/zinc/40/60/51/1323406051.db2.gz LSAZSRMLANNVFX-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CCCCCC2)CC[NH+]1C ZINC001024446934 1323406058 /nfs/dbraw/zinc/40/60/58/1323406058.db2.gz LSAZSRMLANNVFX-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC2CCCCCC2)CC[NH+]1C ZINC001024446934 1323406061 /nfs/dbraw/zinc/40/60/61/1323406061.db2.gz LSAZSRMLANNVFX-YZGWKJHDSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC2CCCC2)C1 ZINC001024478934 1323431075 /nfs/dbraw/zinc/43/10/75/1323431075.db2.gz VXDHUPJCTUUQNX-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CCCC2)C1 ZINC001024478934 1323431078 /nfs/dbraw/zinc/43/10/78/1323431078.db2.gz VXDHUPJCTUUQNX-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC2CCCC2)C1 ZINC001024478934 1323431080 /nfs/dbraw/zinc/43/10/80/1323431080.db2.gz VXDHUPJCTUUQNX-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP O=C(NC[C@@H]1CCCC[N@H+]1CC1CCCC1)C12CCC[NH+](CCC1)C2 ZINC001024502265 1323449728 /nfs/dbraw/zinc/44/97/28/1323449728.db2.gz LLCYYFWGWICZRF-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024513416 1323463005 /nfs/dbraw/zinc/46/30/05/1323463005.db2.gz PQFKJQIWUMSZQF-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCC1 ZINC001024513416 1323463006 /nfs/dbraw/zinc/46/30/06/1323463006.db2.gz PQFKJQIWUMSZQF-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001024513416 1323463009 /nfs/dbraw/zinc/46/30/09/1323463009.db2.gz PQFKJQIWUMSZQF-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCC1 ZINC001024513416 1323463010 /nfs/dbraw/zinc/46/30/10/1323463010.db2.gz PQFKJQIWUMSZQF-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024571343 1323508730 /nfs/dbraw/zinc/50/87/30/1323508730.db2.gz YGYVBEHUZKIKQX-LJQANCHMSA-N 2 1 345.531 3.031 20 0 EGADMP CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024617072 1323546005 /nfs/dbraw/zinc/54/60/05/1323546005.db2.gz AVJFPNVKAPLSED-RTBURBONSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617072 1323546011 /nfs/dbraw/zinc/54/60/11/1323546011.db2.gz AVJFPNVKAPLSED-RTBURBONSA-N 2 1 335.536 3.164 20 0 EGADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617072 1323546018 /nfs/dbraw/zinc/54/60/18/1323546018.db2.gz AVJFPNVKAPLSED-RTBURBONSA-N 2 1 335.536 3.164 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCC1 ZINC001024692576 1323608590 /nfs/dbraw/zinc/60/85/90/1323608590.db2.gz PBRHEAKGKNNWIV-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001024692576 1323608597 /nfs/dbraw/zinc/60/85/97/1323608597.db2.gz PBRHEAKGKNNWIV-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCC1 ZINC001024692576 1323608605 /nfs/dbraw/zinc/60/86/05/1323608605.db2.gz PBRHEAKGKNNWIV-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024810935 1323713593 /nfs/dbraw/zinc/71/35/93/1323713593.db2.gz LJRCAUDZAFHFCT-FQEVSTJZSA-N 2 1 345.531 3.379 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCC1 ZINC001024813707 1323715686 /nfs/dbraw/zinc/71/56/86/1323715686.db2.gz FCGMCEPYNFIKRC-LJQANCHMSA-N 2 1 343.515 3.133 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC1CCCCC1 ZINC001024814149 1323718157 /nfs/dbraw/zinc/71/81/57/1323718157.db2.gz ORKLSYDZKXEAJK-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001024814149 1323718160 /nfs/dbraw/zinc/71/81/60/1323718160.db2.gz ORKLSYDZKXEAJK-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCC1 ZINC001024814149 1323718163 /nfs/dbraw/zinc/71/81/63/1323718163.db2.gz ORKLSYDZKXEAJK-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001024984651 1323813015 /nfs/dbraw/zinc/81/30/15/1323813015.db2.gz HSDAJIAJBKJYDB-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001024984649 1323813305 /nfs/dbraw/zinc/81/33/05/1323813305.db2.gz HSDAJIAJBKJYDB-PMACEKPBSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001025008778 1323823941 /nfs/dbraw/zinc/82/39/41/1323823941.db2.gz BGSWRELWGUDADV-WOJBJXKFSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccccc1C[NH+](C)C ZINC001025300842 1324133525 /nfs/dbraw/zinc/13/35/25/1324133525.db2.gz GIJDESBGGQURPI-VQTJNVASSA-N 2 1 343.515 3.227 20 0 EGADMP CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025431833 1324269229 /nfs/dbraw/zinc/26/92/29/1324269229.db2.gz CYLVLFBURKDUKS-HUUCEWRRSA-N 2 1 337.533 3.050 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC001025585811 1324427420 /nfs/dbraw/zinc/42/74/20/1324427420.db2.gz SLWWADHEWCDSOM-FXAWDEMLSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025629661 1324481451 /nfs/dbraw/zinc/48/14/51/1324481451.db2.gz IOCSIYCLWJRCGL-ZWKOTPCHSA-N 2 1 345.531 3.235 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025630797 1324483539 /nfs/dbraw/zinc/48/35/39/1324483539.db2.gz WMXBVJQXADHLEV-ROUUACIJSA-N 2 1 345.531 3.379 20 0 EGADMP COc1cccc([C@H](O)C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000860144350 1329157775 /nfs/dbraw/zinc/15/77/75/1329157775.db2.gz XACHRQJYYONJMZ-PZJWPPBQSA-N 2 1 346.515 3.315 20 0 EGADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000931727571 1329173006 /nfs/dbraw/zinc/17/30/06/1329173006.db2.gz UHZNMCBUOKQGAE-JKSUJKDBSA-N 2 1 346.862 3.101 20 0 EGADMP CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000925131845 1325057101 /nfs/dbraw/zinc/05/71/01/1325057101.db2.gz DPXPBNZJANVNCS-UZLBHIALSA-N 2 1 328.456 3.426 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cc[nH]c(=O)c1 ZINC000925219375 1325084609 /nfs/dbraw/zinc/08/46/09/1325084609.db2.gz DHBKECKSGYDQMD-GJYPPUQNSA-N 2 1 325.456 3.348 20 0 EGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cc[nH]c(=O)c1 ZINC000925219375 1325084619 /nfs/dbraw/zinc/08/46/19/1325084619.db2.gz DHBKECKSGYDQMD-GJYPPUQNSA-N 2 1 325.456 3.348 20 0 EGADMP C[NH+]1CCC([C@H]2CC[N@@H+](CN3CC[C@@H](C4CCCCC4)C3=O)C2)CC1 ZINC000853504723 1325106577 /nfs/dbraw/zinc/10/65/77/1325106577.db2.gz ODVDAOKFJXNLFY-PMACEKPBSA-N 2 1 347.547 3.036 20 0 EGADMP CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328708 1325113218 /nfs/dbraw/zinc/11/32/18/1325113218.db2.gz RTRWEPYXSUGLMH-RTBURBONSA-N 2 1 347.547 3.118 20 0 EGADMP CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000963337324 1325126989 /nfs/dbraw/zinc/12/69/89/1325126989.db2.gz NWRBQSYCENIXEU-LPHOPBHVSA-N 2 1 340.471 3.061 20 0 EGADMP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)Oc1ccccc1C ZINC000925498486 1325177545 /nfs/dbraw/zinc/17/75/45/1325177545.db2.gz GUKBFRFWJHUMLJ-RAFMOHDBSA-N 2 1 346.515 3.384 20 0 EGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925556073 1325207198 /nfs/dbraw/zinc/20/71/98/1325207198.db2.gz JTLXPDMOSMBOPR-HHUCQEJWSA-N 2 1 327.516 3.003 20 0 EGADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cn(C)cn1 ZINC000925618362 1325232959 /nfs/dbraw/zinc/23/29/59/1325232959.db2.gz ZVDSHXLULNYENI-LNLFQRSKSA-N 2 1 326.488 3.371 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC000963907722 1325431311 /nfs/dbraw/zinc/43/13/11/1325431311.db2.gz JVBYTFJKYVEKJM-KKXNLOMOSA-N 2 1 349.563 3.410 20 0 EGADMP Cc1cccc2c1[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CC2 ZINC000926125078 1325439174 /nfs/dbraw/zinc/43/91/74/1325439174.db2.gz JYLPASXEVJGJRZ-SFTDATJTSA-N 2 1 336.479 3.339 20 0 EGADMP C[NH+](C)CCOCC[NH2+][C@@H](c1cc2ccccc2o1)c1ccccn1 ZINC000926254275 1325492956 /nfs/dbraw/zinc/49/29/56/1325492956.db2.gz ITFZPZOLEQRYRG-HXUWFJFHSA-N 2 1 339.439 3.085 20 0 EGADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)NCCC[NH+]3CCCCC3)c2)C1 ZINC000856742931 1325518635 /nfs/dbraw/zinc/51/86/35/1325518635.db2.gz QRYQRWKKFLMTIF-FQEVSTJZSA-N 2 1 343.515 3.102 20 0 EGADMP CCC[NH+]1CCC(NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000856762164 1325520172 /nfs/dbraw/zinc/52/01/72/1325520172.db2.gz OQAAXWPOQSSTCI-IBGZPJMESA-N 2 1 343.515 3.100 20 0 EGADMP CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC000964645112 1327618280 /nfs/dbraw/zinc/61/82/80/1327618280.db2.gz VMRSNGWQFIMDQA-HNSLBZJHSA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]([NH+](C)CC2CCCC2)C1 ZINC001027442148 1327681864 /nfs/dbraw/zinc/68/18/64/1327681864.db2.gz BQJUZBAGOHJFTL-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC001027442148 1327681873 /nfs/dbraw/zinc/68/18/73/1327681873.db2.gz BQJUZBAGOHJFTL-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027442148 1327681882 /nfs/dbraw/zinc/68/18/82/1327681882.db2.gz BQJUZBAGOHJFTL-PMACEKPBSA-N 2 1 349.563 3.362 20 0 EGADMP Cc1ccc(NCC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000927073379 1327842546 /nfs/dbraw/zinc/84/25/46/1327842546.db2.gz KVPBKBXDOSHILT-UYAOXDASSA-N 2 1 338.499 3.302 20 0 EGADMP CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542504 1327845715 /nfs/dbraw/zinc/84/57/15/1327845715.db2.gz MEQSKXLLTUKJMS-OALUTQOASA-N 2 1 335.536 3.116 20 0 EGADMP CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027542504 1327845720 /nfs/dbraw/zinc/84/57/20/1327845720.db2.gz MEQSKXLLTUKJMS-OALUTQOASA-N 2 1 335.536 3.116 20 0 EGADMP CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027542504 1327845736 /nfs/dbraw/zinc/84/57/36/1327845736.db2.gz MEQSKXLLTUKJMS-OALUTQOASA-N 2 1 335.536 3.116 20 0 EGADMP C[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555376 1327863176 /nfs/dbraw/zinc/86/31/76/1327863176.db2.gz KGLSYOKBTFNTDO-PXNSSMCTSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCC2)C1)[NH+](C)C ZINC001027563985 1327886750 /nfs/dbraw/zinc/88/67/50/1327886750.db2.gz PQYWQUDIRQVMPB-RBUKOAKNSA-N 2 1 337.552 3.076 20 0 EGADMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C1)[NH+](C)C ZINC001027579216 1327913138 /nfs/dbraw/zinc/91/31/38/1327913138.db2.gz CWQHWLCIICCNIP-UXHICEINSA-N 2 1 345.531 3.066 20 0 EGADMP C[N@@H+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027576972 1327915197 /nfs/dbraw/zinc/91/51/97/1327915197.db2.gz BDDWBSPFOXSVTH-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001027576972 1327915205 /nfs/dbraw/zinc/91/52/05/1327915205.db2.gz BDDWBSPFOXSVTH-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP C[NH+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001027576972 1327915211 /nfs/dbraw/zinc/91/52/11/1327915211.db2.gz BDDWBSPFOXSVTH-LJQANCHMSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC001027599022 1327949370 /nfs/dbraw/zinc/94/93/70/1327949370.db2.gz YOQOGRMUXRLYIF-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027599022 1327949378 /nfs/dbraw/zinc/94/93/78/1327949378.db2.gz YOQOGRMUXRLYIF-GOSISDBHSA-N 2 1 346.519 3.120 20 0 EGADMP CC1CC[NH+](CC(=O)N2CCC[C@@H]([N@@H+](C)CCC3CCCC3)C2)CC1 ZINC001027628883 1327992103 /nfs/dbraw/zinc/99/21/03/1327992103.db2.gz MWVSWMMKKXUWPG-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC2CCCC2)C1 ZINC001027695369 1328102509 /nfs/dbraw/zinc/10/25/09/1328102509.db2.gz RZQYUVPUHYKLPH-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027695369 1328102513 /nfs/dbraw/zinc/10/25/13/1328102513.db2.gz RZQYUVPUHYKLPH-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027695369 1328102514 /nfs/dbraw/zinc/10/25/14/1328102514.db2.gz RZQYUVPUHYKLPH-WOJBJXKFSA-N 2 1 349.563 3.364 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1)c1ccccc1 ZINC001027696156 1328104963 /nfs/dbraw/zinc/10/49/63/1328104963.db2.gz LWYBLRJNAUXMRI-UXHICEINSA-N 2 1 343.515 3.012 20 0 EGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1)c1ccccc1 ZINC001027696156 1328104967 /nfs/dbraw/zinc/10/49/67/1328104967.db2.gz LWYBLRJNAUXMRI-UXHICEINSA-N 2 1 343.515 3.012 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001027878853 1328345885 /nfs/dbraw/zinc/34/58/85/1328345885.db2.gz JGTAMKWMWJXHLG-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC001027878853 1328345891 /nfs/dbraw/zinc/34/58/91/1328345891.db2.gz JGTAMKWMWJXHLG-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1=CCCCC1 ZINC001027878853 1328345903 /nfs/dbraw/zinc/34/59/03/1328345903.db2.gz JGTAMKWMWJXHLG-UXHICEINSA-N 2 1 347.547 3.330 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCCC2CCC2)C1 ZINC001027924044 1328402998 /nfs/dbraw/zinc/40/29/98/1328402998.db2.gz CILZUNADAHTQQK-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCCC2CCC2)C1 ZINC001027924044 1328402999 /nfs/dbraw/zinc/40/29/99/1328402999.db2.gz CILZUNADAHTQQK-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCCC2CCC2)C1 ZINC001027924044 1328403003 /nfs/dbraw/zinc/40/30/03/1328403003.db2.gz CILZUNADAHTQQK-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001027924469 1328403037 /nfs/dbraw/zinc/40/30/37/1328403037.db2.gz JRNFMWZGTUWYGG-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001027924469 1328403041 /nfs/dbraw/zinc/40/30/41/1328403041.db2.gz JRNFMWZGTUWYGG-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001027924469 1328403045 /nfs/dbraw/zinc/40/30/45/1328403045.db2.gz JRNFMWZGTUWYGG-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CCN(C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)C1CC[NH+](C)CC1 ZINC000863921463 1329589308 /nfs/dbraw/zinc/58/93/08/1329589308.db2.gz HPXQYKPEKZQASP-LJQANCHMSA-N 2 1 343.515 3.052 20 0 EGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC000865435060 1329696914 /nfs/dbraw/zinc/69/69/14/1329696914.db2.gz BEWBPEXHYYSPBF-CQSZACIVSA-N 2 1 348.441 3.185 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000933268247 1329876467 /nfs/dbraw/zinc/87/64/67/1329876467.db2.gz ULOXGYFORGZMJS-GOSISDBHSA-N 2 1 342.487 3.014 20 0 EGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[NH2+]C(C)(C)C ZINC000933860913 1329929092 /nfs/dbraw/zinc/92/90/92/1329929092.db2.gz OERBDYOSYUHXJB-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP C[C@@H]1C[C@H](CCNC(=O)CC[NH2+]C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000935058010 1330025817 /nfs/dbraw/zinc/02/58/17/1330025817.db2.gz FLQQDOJKUMASGD-MJGOQNOKSA-N 2 1 345.531 3.182 20 0 EGADMP CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000940918205 1331254429 /nfs/dbraw/zinc/25/44/29/1331254429.db2.gz NKHFZTNBFLWCNP-LJQANCHMSA-N 2 1 345.531 3.031 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCC3)CC2(C)C)CC1 ZINC000941139151 1331351003 /nfs/dbraw/zinc/35/10/03/1331351003.db2.gz QNCXHNMMDHOHOR-LJQANCHMSA-N 2 1 349.563 3.124 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942102345 1331831376 /nfs/dbraw/zinc/83/13/76/1331831376.db2.gz XQJMYHOYLHFTGQ-GDBMZVCRSA-N 2 1 337.533 3.050 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942173951 1331860672 /nfs/dbraw/zinc/86/06/72/1331860672.db2.gz SPHZCOJYHBDTCY-HKUYNNGSSA-N 2 1 349.563 3.125 20 0 EGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(C)C)C[C@H]2C)o1 ZINC000945337249 1332560344 /nfs/dbraw/zinc/56/03/44/1332560344.db2.gz VJWWEOBLOZNTOX-SJLPKXTDSA-N 2 1 349.519 3.218 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC000947436440 1333127190 /nfs/dbraw/zinc/12/71/90/1333127190.db2.gz IXBGGTPOKCTKBH-IEBWSBKVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CCC1CCCC1 ZINC000947498562 1333148142 /nfs/dbraw/zinc/14/81/42/1333148142.db2.gz VYRHOKCFCAUNJY-MJGOQNOKSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CCC1CCCC1 ZINC000947498563 1333148150 /nfs/dbraw/zinc/14/81/50/1333148150.db2.gz VYRHOKCFCAUNJY-PKOBYXMFSA-N 2 1 347.547 3.164 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947505719 1333149703 /nfs/dbraw/zinc/14/97/03/1333149703.db2.gz CZPBVRGSFPACAS-CRAIPNDOSA-N 2 1 342.487 3.353 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947552027 1333168720 /nfs/dbraw/zinc/16/87/20/1333168720.db2.gz QRSVTUIXXSSQEX-YJBOKZPZSA-N 2 1 342.487 3.353 20 0 EGADMP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1Cc1ccsc1 ZINC000947616657 1333194231 /nfs/dbraw/zinc/19/42/31/1333194231.db2.gz RATPHOYRZQYTRE-RDJZCZTQSA-N 2 1 349.544 3.092 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC000947663910 1333213864 /nfs/dbraw/zinc/21/38/64/1333213864.db2.gz ZQHBLRMPCDDKOH-QAPCUYQASA-N 2 1 349.519 3.360 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CCCC1CCCC1 ZINC000947684713 1333223067 /nfs/dbraw/zinc/22/30/67/1333223067.db2.gz JNKCECVXNRZOFW-YLJYHZDGSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1C/C=C/Cl ZINC000947799620 1333264986 /nfs/dbraw/zinc/26/49/86/1333264986.db2.gz CAZMCHZKWKLUEW-UICDAGHKSA-N 2 1 349.906 3.083 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947800192 1333265811 /nfs/dbraw/zinc/26/58/11/1333265811.db2.gz GPTCYAFRHJNUTL-YLJYHZDGSA-N 2 1 343.515 3.297 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000948376853 1333502426 /nfs/dbraw/zinc/50/24/26/1333502426.db2.gz CWSQBUIOBKOUOL-MOPGFXCFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000948376853 1333502427 /nfs/dbraw/zinc/50/24/27/1333502427.db2.gz CWSQBUIOBKOUOL-MOPGFXCFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000948376853 1333502430 /nfs/dbraw/zinc/50/24/30/1333502430.db2.gz CWSQBUIOBKOUOL-MOPGFXCFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948440023 1333526128 /nfs/dbraw/zinc/52/61/28/1333526128.db2.gz ZQYPOIBRMVROJR-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948440023 1333526131 /nfs/dbraw/zinc/52/61/31/1333526131.db2.gz ZQYPOIBRMVROJR-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948440023 1333526133 /nfs/dbraw/zinc/52/61/33/1333526133.db2.gz ZQYPOIBRMVROJR-MOPGFXCFSA-N 2 1 337.552 3.218 20 0 EGADMP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575516 1333583336 /nfs/dbraw/zinc/58/33/36/1333583336.db2.gz ZPPZHMVXKYJOGF-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948575516 1333583338 /nfs/dbraw/zinc/58/33/38/1333583338.db2.gz ZPPZHMVXKYJOGF-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948575516 1333583340 /nfs/dbraw/zinc/58/33/40/1333583340.db2.gz ZPPZHMVXKYJOGF-MOPGFXCFSA-N 2 1 337.552 3.220 20 0 EGADMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000948741397 1333655136 /nfs/dbraw/zinc/65/51/36/1333655136.db2.gz ABVUNIRIRSIKOK-FQEVSTJZSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948821054 1333698435 /nfs/dbraw/zinc/69/84/35/1333698435.db2.gz XPXKJJGCZGYMEV-SFHVURJKSA-N 2 1 348.535 3.366 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948821054 1333698437 /nfs/dbraw/zinc/69/84/37/1333698437.db2.gz XPXKJJGCZGYMEV-SFHVURJKSA-N 2 1 348.535 3.366 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC000948829686 1333702144 /nfs/dbraw/zinc/70/21/44/1333702144.db2.gz STFCJYRMNICPJE-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948829686 1333702148 /nfs/dbraw/zinc/70/21/48/1333702148.db2.gz STFCJYRMNICPJE-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948829686 1333702152 /nfs/dbraw/zinc/70/21/52/1333702152.db2.gz STFCJYRMNICPJE-VQTJNVASSA-N 2 1 349.563 3.362 20 0 EGADMP Cc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)c1 ZINC000949307277 1333820367 /nfs/dbraw/zinc/82/03/67/1333820367.db2.gz DGKXQCSNPXECLE-QGZVFWFLSA-N 2 1 348.450 3.162 20 0 EGADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[NH+](CC2CCCC2)CC1 ZINC000949824409 1333933801 /nfs/dbraw/zinc/93/38/01/1333933801.db2.gz FUWHWXXIDDZKHB-FQEVSTJZSA-N 2 1 347.547 3.118 20 0 EGADMP CCC(CC)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000949824763 1333934040 /nfs/dbraw/zinc/93/40/40/1333934040.db2.gz OBVQLKFGESCBGI-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1C[NH+](CC2CCCCC2)C1 ZINC000950614585 1334097694 /nfs/dbraw/zinc/09/76/94/1334097694.db2.gz GNMWJPGIZSPQAY-ICSRJNTNSA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C1C[NH+](CCC(C)(C)C)C1 ZINC000950704801 1334119093 /nfs/dbraw/zinc/11/90/93/1334119093.db2.gz BZCGSRUUENILFE-GOSISDBHSA-N 2 1 337.552 3.076 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1C[NH+](CCC2CC2)C1 ZINC000951361387 1334230669 /nfs/dbraw/zinc/23/06/69/1334230669.db2.gz CHQBPIKEECULDR-HXUWFJFHSA-N 2 1 347.547 3.116 20 0 EGADMP CCN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1C[NH+](CCC2CC2)C1 ZINC000951361387 1334230673 /nfs/dbraw/zinc/23/06/73/1334230673.db2.gz CHQBPIKEECULDR-HXUWFJFHSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](CC3=CCCCC3)CC2)cc1 ZINC000951758434 1334311775 /nfs/dbraw/zinc/31/17/75/1334311775.db2.gz MERCIKHLQMOIKT-UHFFFAOYSA-N 2 1 341.499 3.006 20 0 EGADMP CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1C[NH+](CC2CCCCC2)C1 ZINC000952444585 1334461250 /nfs/dbraw/zinc/46/12/50/1334461250.db2.gz WUQDGGXHSYVPHU-AZUAARDMSA-N 2 1 347.547 3.116 20 0 EGADMP C[C@@H]1CC[N@@H+](CCCC2CCC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000967206251 1335676807 /nfs/dbraw/zinc/67/68/07/1335676807.db2.gz NGVXQFHZXJDZSV-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H]1CC[N@@H+](CCC2=CCCCC2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968190707 1335868424 /nfs/dbraw/zinc/86/84/24/1335868424.db2.gz LOXPWIXIBWNSOF-PXNSSMCTSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000968645387 1335994798 /nfs/dbraw/zinc/99/47/98/1335994798.db2.gz YFCDDIWFXQCSOM-RTBURBONSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968683169 1336009525 /nfs/dbraw/zinc/00/95/25/1336009525.db2.gz ZCVGHUWBXHNVCN-XLIONFOSSA-N 2 1 345.531 3.235 20 0 EGADMP CC(C)(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968856149 1336069783 /nfs/dbraw/zinc/06/97/83/1336069783.db2.gz FKFQEFIZCMAWLY-RTBURBONSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968857150 1336070379 /nfs/dbraw/zinc/07/03/79/1336070379.db2.gz UQFXKXGTKKTFQE-VQTJNVASSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000968858929 1336070561 /nfs/dbraw/zinc/07/05/61/1336070561.db2.gz JZWOTPGHEJAQNG-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000968858929 1336070563 /nfs/dbraw/zinc/07/05/63/1336070563.db2.gz JZWOTPGHEJAQNG-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000968858929 1336070565 /nfs/dbraw/zinc/07/05/65/1336070565.db2.gz JZWOTPGHEJAQNG-ICSRJNTNSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC2=CCCCC2)CC[N@H+]1C ZINC000968866389 1336072364 /nfs/dbraw/zinc/07/23/64/1336072364.db2.gz HFHFJAQCBRXAHO-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC2=CCCCC2)CC[NH+]1C ZINC000968866389 1336072366 /nfs/dbraw/zinc/07/23/66/1336072366.db2.gz HFHFJAQCBRXAHO-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC2=CCCCC2)CC[NH+]1C ZINC000968866389 1336072367 /nfs/dbraw/zinc/07/23/67/1336072367.db2.gz HFHFJAQCBRXAHO-MISYRCLQSA-N 2 1 347.547 3.188 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CC1 ZINC000968877131 1336076295 /nfs/dbraw/zinc/07/62/95/1336076295.db2.gz OIOKTXPOJCSXQA-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CC1 ZINC000968877131 1336076298 /nfs/dbraw/zinc/07/62/98/1336076298.db2.gz OIOKTXPOJCSXQA-QGZVFWFLSA-N 2 1 349.544 3.194 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC=C(C)C ZINC000968882191 1336078308 /nfs/dbraw/zinc/07/83/08/1336078308.db2.gz JFJWPGRVNCHEPT-RTBURBONSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC=C(C)C ZINC000968882191 1336078312 /nfs/dbraw/zinc/07/83/12/1336078312.db2.gz JFJWPGRVNCHEPT-RTBURBONSA-N 2 1 335.536 3.188 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC=C(C)C ZINC000968882191 1336078314 /nfs/dbraw/zinc/07/83/14/1336078314.db2.gz JFJWPGRVNCHEPT-RTBURBONSA-N 2 1 335.536 3.188 20 0 EGADMP O=C(NC[C@@H]1CCCCC[N@H+]1CC1CC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968888584 1336080946 /nfs/dbraw/zinc/08/09/46/1336080946.db2.gz VZDIGJKVYOHOGL-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCCCC[NH+]1CC1CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000968888584 1336080947 /nfs/dbraw/zinc/08/09/47/1336080947.db2.gz VZDIGJKVYOHOGL-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCCCC[NH+]1CC1CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000968888584 1336080948 /nfs/dbraw/zinc/08/09/48/1336080948.db2.gz VZDIGJKVYOHOGL-VQTJNVASSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(NC[C@@H]1CCCCC[N@H+]1CC1CCC1)C12CCC[NH+](CCC1)C2 ZINC000968913223 1336086941 /nfs/dbraw/zinc/08/69/41/1336086941.db2.gz DBKWQHILKPCRPA-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1cccc(Cl)c1 ZINC000968922131 1336089776 /nfs/dbraw/zinc/08/97/76/1336089776.db2.gz RHYUCUNDCQORAT-WMLDXEAASA-N 2 1 349.906 3.076 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000968967513 1336104777 /nfs/dbraw/zinc/10/47/77/1336104777.db2.gz SCLNBXHVQXBXGG-RTBURBONSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC=C(C)C ZINC000969156244 1336164972 /nfs/dbraw/zinc/16/49/72/1336164972.db2.gz NYBCLMYLLWAIML-RBUKOAKNSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC=C(C)C ZINC000969156244 1336164973 /nfs/dbraw/zinc/16/49/73/1336164973.db2.gz NYBCLMYLLWAIML-RBUKOAKNSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC=C(C)C ZINC000969156244 1336164975 /nfs/dbraw/zinc/16/49/75/1336164975.db2.gz NYBCLMYLLWAIML-RBUKOAKNSA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCC2=CCCCC2)C1 ZINC000969648093 1336233474 /nfs/dbraw/zinc/23/34/74/1336233474.db2.gz IUYJOVFVGDBANY-YLJYHZDGSA-N 2 1 347.547 3.186 20 0 EGADMP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1C[NH+](CC2CCC2)C1 ZINC000970324969 1336294620 /nfs/dbraw/zinc/29/46/20/1336294620.db2.gz BCXWDUJNMCRJPA-OXJNMPFZSA-N 2 1 347.547 3.020 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2cccc(Br)c2F)CC[C@@H]1C[NH3+] ZINC001205617851 1370813394 /nfs/dbraw/zinc/81/33/94/1370813394.db2.gz OORVKVQBBPCZDD-NWDGAFQWSA-N 2 1 329.257 3.395 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001007457490 1336650470 /nfs/dbraw/zinc/65/04/70/1336650470.db2.gz OKHMHRFPFVWKEK-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001007457490 1336650473 /nfs/dbraw/zinc/65/04/73/1336650473.db2.gz OKHMHRFPFVWKEK-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001007457490 1336650475 /nfs/dbraw/zinc/65/04/75/1336650475.db2.gz OKHMHRFPFVWKEK-RTBURBONSA-N 2 1 347.547 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001007458337 1336651362 /nfs/dbraw/zinc/65/13/62/1336651362.db2.gz WFISSIARJNAFAW-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001007458337 1336651364 /nfs/dbraw/zinc/65/13/64/1336651364.db2.gz WFISSIARJNAFAW-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001007497475 1336657596 /nfs/dbraw/zinc/65/75/96/1336657596.db2.gz COJCVJITIYAWSR-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001007497475 1336657599 /nfs/dbraw/zinc/65/75/99/1336657599.db2.gz COJCVJITIYAWSR-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001007497475 1336657602 /nfs/dbraw/zinc/65/76/02/1336657602.db2.gz COJCVJITIYAWSR-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CC3CCCCC3)C2)C1 ZINC001007495476 1336657644 /nfs/dbraw/zinc/65/76/44/1336657644.db2.gz JURMWEVMCOHUIP-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)C1 ZINC001007495476 1336657645 /nfs/dbraw/zinc/65/76/45/1336657645.db2.gz JURMWEVMCOHUIP-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)C1 ZINC001007495476 1336657647 /nfs/dbraw/zinc/65/76/47/1336657647.db2.gz JURMWEVMCOHUIP-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC1CCC(C[N@H+]2CCC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001008164158 1336782835 /nfs/dbraw/zinc/78/28/35/1336782835.db2.gz RPVOWYAWXJDNDD-ACBHZAAOSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001008166309 1336783062 /nfs/dbraw/zinc/78/30/62/1336783062.db2.gz ZRIDTPDFQIGQFS-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001008164983 1336783103 /nfs/dbraw/zinc/78/31/03/1336783103.db2.gz WAFZHCWKRKQWMU-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001008277219 1336812670 /nfs/dbraw/zinc/81/26/70/1336812670.db2.gz MWTHRVZBORRCBA-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001008277219 1336812673 /nfs/dbraw/zinc/81/26/73/1336812673.db2.gz MWTHRVZBORRCBA-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001008277219 1336812675 /nfs/dbraw/zinc/81/26/75/1336812675.db2.gz MWTHRVZBORRCBA-RBUKOAKNSA-N 2 1 349.563 3.125 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008401882 1336843154 /nfs/dbraw/zinc/84/31/54/1336843154.db2.gz XSMKNPKBMRGYSB-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001008529279 1336876565 /nfs/dbraw/zinc/87/65/65/1336876565.db2.gz FLVSTPNJFSDBMP-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001008529279 1336876568 /nfs/dbraw/zinc/87/65/68/1336876568.db2.gz FLVSTPNJFSDBMP-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001008529279 1336876572 /nfs/dbraw/zinc/87/65/72/1336876572.db2.gz FLVSTPNJFSDBMP-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP CC1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCC3CCCCC3)C2)CC1 ZINC001008946877 1336946574 /nfs/dbraw/zinc/94/65/74/1336946574.db2.gz UIBGRFRQZCKVPO-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP Cc1nc[nH]c1CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001009344221 1337009236 /nfs/dbraw/zinc/00/92/36/1337009236.db2.gz BXBSRGAWFQSEPH-SFHVURJKSA-N 2 1 346.519 3.202 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001009633997 1337050532 /nfs/dbraw/zinc/05/05/32/1337050532.db2.gz IAUFVXVOMRIVHR-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001009633997 1337050535 /nfs/dbraw/zinc/05/05/35/1337050535.db2.gz IAUFVXVOMRIVHR-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001009633997 1337050538 /nfs/dbraw/zinc/05/05/38/1337050538.db2.gz IAUFVXVOMRIVHR-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP [NH3+][C@H]1CC[N@H+](Cc2c[nH]c3cc(Br)ccc23)CC[C@H]1F ZINC001206187315 1370986628 /nfs/dbraw/zinc/98/66/28/1370986628.db2.gz SQJMBQIXEKTQIW-KGLIPLIRSA-N 2 1 340.240 3.192 20 0 EGADMP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)CC[C@H]1F ZINC001206187315 1370986633 /nfs/dbraw/zinc/98/66/33/1370986633.db2.gz SQJMBQIXEKTQIW-KGLIPLIRSA-N 2 1 340.240 3.192 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001014414533 1337770584 /nfs/dbraw/zinc/77/05/84/1337770584.db2.gz OXCSUVOYBKBBIS-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001014414533 1337770587 /nfs/dbraw/zinc/77/05/87/1337770587.db2.gz OXCSUVOYBKBBIS-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001014414533 1337770590 /nfs/dbraw/zinc/77/05/90/1337770590.db2.gz OXCSUVOYBKBBIS-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001014430091 1337776029 /nfs/dbraw/zinc/77/60/29/1337776029.db2.gz AKCFHRHEULWJQE-PKOBYXMFSA-N 2 1 343.515 3.203 20 0 EGADMP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001014608450 1337846777 /nfs/dbraw/zinc/84/67/77/1337846777.db2.gz UJXWHLJLTHNGQB-MRXNPFEDSA-N 2 1 337.533 3.050 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001014608450 1337846779 /nfs/dbraw/zinc/84/67/79/1337846779.db2.gz UJXWHLJLTHNGQB-MRXNPFEDSA-N 2 1 337.533 3.050 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCC3CCCCC3)C2)C1 ZINC001014708310 1337877444 /nfs/dbraw/zinc/87/74/44/1337877444.db2.gz VVKZKYYKAKNBOC-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CCC3CCCCC3)C2)C1 ZINC001014708310 1337877449 /nfs/dbraw/zinc/87/74/49/1337877449.db2.gz VVKZKYYKAKNBOC-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001014708310 1337877455 /nfs/dbraw/zinc/87/74/55/1337877455.db2.gz VVKZKYYKAKNBOC-UXHICEINSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001014723747 1337885234 /nfs/dbraw/zinc/88/52/34/1337885234.db2.gz RGVGWWXRDDQLAU-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001014723747 1337885239 /nfs/dbraw/zinc/88/52/39/1337885239.db2.gz RGVGWWXRDDQLAU-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001014723747 1337885242 /nfs/dbraw/zinc/88/52/42/1337885242.db2.gz RGVGWWXRDDQLAU-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001014724623 1337885969 /nfs/dbraw/zinc/88/59/69/1337885969.db2.gz VZFNMGRRLWASHT-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001014724623 1337885974 /nfs/dbraw/zinc/88/59/74/1337885974.db2.gz VZFNMGRRLWASHT-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001014724623 1337885977 /nfs/dbraw/zinc/88/59/77/1337885977.db2.gz VZFNMGRRLWASHT-RBUKOAKNSA-N 2 1 335.536 3.020 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015114738 1338023341 /nfs/dbraw/zinc/02/33/41/1338023341.db2.gz RUFCEBRPXBAAIY-WMZOPIPTSA-N 2 1 348.450 3.208 20 0 EGADMP O=C(N[C@H]1CC[N@@H+](CC2CCCCCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001015289690 1338086234 /nfs/dbraw/zinc/08/62/34/1338086234.db2.gz JRUXUXLUTATXPN-SFHVURJKSA-N 2 1 340.471 3.109 20 0 EGADMP C[NH+](C)CCc1ccccc1C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001015393041 1338122055 /nfs/dbraw/zinc/12/20/55/1338122055.db2.gz RGWKPYIABFLDJE-SFHVURJKSA-N 2 1 345.531 3.031 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001015596336 1338200327 /nfs/dbraw/zinc/20/03/27/1338200327.db2.gz AZJWIZLSUXDVFZ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CCCC3CCCC3)C2)C1 ZINC001015596336 1338200333 /nfs/dbraw/zinc/20/03/33/1338200333.db2.gz AZJWIZLSUXDVFZ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001015596336 1338200334 /nfs/dbraw/zinc/20/03/34/1338200334.db2.gz AZJWIZLSUXDVFZ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1)[NH+]1CCCCCC1 ZINC001015792685 1338312632 /nfs/dbraw/zinc/31/26/32/1338312632.db2.gz BJIUEKJCVCUBOK-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001015791335 1338312641 /nfs/dbraw/zinc/31/26/41/1338312641.db2.gz CSICSTINUJFRRR-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001015791335 1338312644 /nfs/dbraw/zinc/31/26/44/1338312644.db2.gz CSICSTINUJFRRR-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001015791335 1338312647 /nfs/dbraw/zinc/31/26/47/1338312647.db2.gz CSICSTINUJFRRR-RBUKOAKNSA-N 2 1 347.547 3.020 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796801 1338315208 /nfs/dbraw/zinc/31/52/08/1338315208.db2.gz RAUNPJFLVZOBJB-VQTJNVASSA-N 2 1 343.515 3.060 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCC3CCCC3)C2)cc1 ZINC001015840384 1338332016 /nfs/dbraw/zinc/33/20/16/1338332016.db2.gz WNHWPFVDUHJTQS-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CCCCC3)C2)cc1 ZINC001015839616 1338332499 /nfs/dbraw/zinc/33/24/99/1338332499.db2.gz LXMSQEYSJCNXLY-HXUWFJFHSA-N 2 1 343.515 3.133 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001015971351 1338384226 /nfs/dbraw/zinc/38/42/26/1338384226.db2.gz AFICCRPQVWLRCY-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001015971351 1338384228 /nfs/dbraw/zinc/38/42/28/1338384228.db2.gz AFICCRPQVWLRCY-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001015971351 1338384232 /nfs/dbraw/zinc/38/42/32/1338384232.db2.gz AFICCRPQVWLRCY-PMACEKPBSA-N 2 1 343.515 3.032 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCCC1CCCC1)CC2 ZINC001016542800 1338639633 /nfs/dbraw/zinc/63/96/33/1338639633.db2.gz LBMITKGXPXUTAV-MOPGFXCFSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016662557 1338682876 /nfs/dbraw/zinc/68/28/76/1338682876.db2.gz KRHMAYVYSYZDMT-MSOLQXFVSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016703340 1338696584 /nfs/dbraw/zinc/69/65/84/1338696584.db2.gz XFAYMUXFFIPWIO-MOPGFXCFSA-N 2 1 347.547 3.044 20 0 EGADMP CC[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2C)C1)[NH+](C)C ZINC001017155660 1338906534 /nfs/dbraw/zinc/90/65/34/1338906534.db2.gz ZVMYULBXNUJOQD-UYAOXDASSA-N 2 1 345.531 3.006 20 0 EGADMP CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001017156000 1338906649 /nfs/dbraw/zinc/90/66/49/1338906649.db2.gz PYQLMUPKDKFMNT-KRWDZBQOSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001017156000 1338906651 /nfs/dbraw/zinc/90/66/51/1338906651.db2.gz PYQLMUPKDKFMNT-KRWDZBQOSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001017156000 1338906655 /nfs/dbraw/zinc/90/66/55/1338906655.db2.gz PYQLMUPKDKFMNT-KRWDZBQOSA-N 2 1 337.552 3.218 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001017209584 1338956134 /nfs/dbraw/zinc/95/61/34/1338956134.db2.gz QRLCBBQHCOCWCI-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001017209584 1338956136 /nfs/dbraw/zinc/95/61/36/1338956136.db2.gz QRLCBBQHCOCWCI-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001017209584 1338956139 /nfs/dbraw/zinc/95/61/39/1338956139.db2.gz QRLCBBQHCOCWCI-UYAOXDASSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CC1CCCC1)C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001017266702 1338993175 /nfs/dbraw/zinc/99/31/75/1338993175.db2.gz MYZGVJULVBVNEK-HXUWFJFHSA-N 2 1 349.563 3.223 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)CC[N@H+]1C ZINC001018873703 1339741139 /nfs/dbraw/zinc/74/11/39/1339741139.db2.gz VQJUZPUEOOEPEP-GBESFXJTSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCC(C)(C)C)C1 ZINC001028089361 1340419095 /nfs/dbraw/zinc/41/90/95/1340419095.db2.gz ZQHKJRAKQSZIJJ-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCC(C)(C)C)C1 ZINC001028089361 1340419096 /nfs/dbraw/zinc/41/90/96/1340419096.db2.gz ZQHKJRAKQSZIJJ-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCC(C)(C)C)C1 ZINC001028089361 1340419097 /nfs/dbraw/zinc/41/90/97/1340419097.db2.gz ZQHKJRAKQSZIJJ-QZTJIDSGSA-N 2 1 337.552 3.125 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC1CCCC1 ZINC001028335203 1340572447 /nfs/dbraw/zinc/57/24/47/1340572447.db2.gz PPPKFWNFZOKHTH-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC001028335203 1340572450 /nfs/dbraw/zinc/57/24/50/1340572450.db2.gz PPPKFWNFZOKHTH-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCCC1 ZINC001028335203 1340572454 /nfs/dbraw/zinc/57/24/54/1340572454.db2.gz PPPKFWNFZOKHTH-PMACEKPBSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001028756152 1340791306 /nfs/dbraw/zinc/79/13/06/1340791306.db2.gz YBNUHPIEZSLAEZ-UXHICEINSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001028756152 1340791310 /nfs/dbraw/zinc/79/13/10/1340791310.db2.gz YBNUHPIEZSLAEZ-UXHICEINSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001028756152 1340791312 /nfs/dbraw/zinc/79/13/12/1340791312.db2.gz YBNUHPIEZSLAEZ-UXHICEINSA-N 2 1 349.563 3.127 20 0 EGADMP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CCC3CCCCCC3)C2)CC1 ZINC001028779012 1340809619 /nfs/dbraw/zinc/80/96/19/1340809619.db2.gz RRDOSYGCMGAHNN-LJQANCHMSA-N 2 1 349.563 3.127 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001029360260 1340977213 /nfs/dbraw/zinc/97/72/13/1340977213.db2.gz YTLDLMVUDKGKDZ-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001029360260 1340977214 /nfs/dbraw/zinc/97/72/14/1340977214.db2.gz YTLDLMVUDKGKDZ-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1 ZINC001029360260 1340977215 /nfs/dbraw/zinc/97/72/15/1340977215.db2.gz YTLDLMVUDKGKDZ-ZCNNSNEGSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001029550623 1341010787 /nfs/dbraw/zinc/01/07/87/1341010787.db2.gz SCEKWPRFTPFWHD-OTWHNJEPSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001029550623 1341010788 /nfs/dbraw/zinc/01/07/88/1341010788.db2.gz SCEKWPRFTPFWHD-OTWHNJEPSA-N 2 1 335.536 3.116 20 0 EGADMP CCCC[NH+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1CCCC)C2 ZINC001029550623 1341010789 /nfs/dbraw/zinc/01/07/89/1341010789.db2.gz SCEKWPRFTPFWHD-OTWHNJEPSA-N 2 1 335.536 3.116 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001029597550 1341018872 /nfs/dbraw/zinc/01/88/72/1341018872.db2.gz XIGSOLLJNWBVAM-BGYRXZFFSA-N 2 1 347.547 3.118 20 0 EGADMP C[N@@H+](C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1)CC1CCCCC1 ZINC001029759018 1341064788 /nfs/dbraw/zinc/06/47/88/1341064788.db2.gz JNYDWPUIVSTWJV-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1)CC1CCCCC1 ZINC001029759018 1341064789 /nfs/dbraw/zinc/06/47/89/1341064789.db2.gz JNYDWPUIVSTWJV-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1)CC1CCCCC1 ZINC001029759018 1341064790 /nfs/dbraw/zinc/06/47/90/1341064790.db2.gz JNYDWPUIVSTWJV-UXHICEINSA-N 2 1 349.563 3.221 20 0 EGADMP C[N@@H+](CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1)CC1CCCCCC1 ZINC001030013717 1341157958 /nfs/dbraw/zinc/15/79/58/1341157958.db2.gz QLGNTOIESZQLEY-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)CC1CCCCCC1 ZINC001030013717 1341157959 /nfs/dbraw/zinc/15/79/59/1341157959.db2.gz QLGNTOIESZQLEY-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)CC1CCCCCC1 ZINC001030013717 1341157960 /nfs/dbraw/zinc/15/79/60/1341157960.db2.gz QLGNTOIESZQLEY-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001030026636 1341160893 /nfs/dbraw/zinc/16/08/93/1341160893.db2.gz MHEZMIBSLXNZRR-KVPLUYHFSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001030026636 1341160894 /nfs/dbraw/zinc/16/08/94/1341160894.db2.gz MHEZMIBSLXNZRR-KVPLUYHFSA-N 2 1 343.515 3.059 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001030026636 1341160895 /nfs/dbraw/zinc/16/08/95/1341160895.db2.gz MHEZMIBSLXNZRR-KVPLUYHFSA-N 2 1 343.515 3.059 20 0 EGADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001031234673 1341301130 /nfs/dbraw/zinc/30/11/30/1341301130.db2.gz GDLKVRHMSQJBFJ-LJQANCHMSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001031234673 1341301136 /nfs/dbraw/zinc/30/11/36/1341301136.db2.gz GDLKVRHMSQJBFJ-LJQANCHMSA-N 2 1 347.547 3.022 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC2CCCCC2)C1 ZINC001031236574 1341301779 /nfs/dbraw/zinc/30/17/79/1341301779.db2.gz DSZKAFFVPKRNJA-IBGZPJMESA-N 2 1 335.536 3.022 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](CCCC3CCCC3)C2)C1 ZINC001031917008 1341421699 /nfs/dbraw/zinc/42/16/99/1341421699.db2.gz LIWGBHOBUIYERN-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](CC3CCCCCC3)C2)C1 ZINC001031919068 1341421983 /nfs/dbraw/zinc/42/19/83/1341421983.db2.gz MCSKJONMEIICLU-HXUWFJFHSA-N 2 1 349.563 3.127 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033081900 1341718064 /nfs/dbraw/zinc/71/80/64/1341718064.db2.gz NNNROGJQZJQULB-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033081900 1341718065 /nfs/dbraw/zinc/71/80/65/1341718065.db2.gz NNNROGJQZJQULB-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033081900 1341718066 /nfs/dbraw/zinc/71/80/66/1341718066.db2.gz NNNROGJQZJQULB-ICSRJNTNSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001033125181 1341733394 /nfs/dbraw/zinc/73/33/94/1341733394.db2.gz AHDMHXOXAUKZKK-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033125181 1341733396 /nfs/dbraw/zinc/73/33/96/1341733396.db2.gz AHDMHXOXAUKZKK-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033125181 1341733397 /nfs/dbraw/zinc/73/33/97/1341733397.db2.gz AHDMHXOXAUKZKK-WOJBJXKFSA-N 2 1 347.547 3.284 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033467534 1341837898 /nfs/dbraw/zinc/83/78/98/1341837898.db2.gz QPWMIVKQRRNWLJ-SFHVURJKSA-N 2 1 344.503 3.040 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033467534 1341837900 /nfs/dbraw/zinc/83/79/00/1341837900.db2.gz QPWMIVKQRRNWLJ-SFHVURJKSA-N 2 1 344.503 3.040 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001033684480 1341950123 /nfs/dbraw/zinc/95/01/23/1341950123.db2.gz GGKIDSUXUYAWAM-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033684480 1341950126 /nfs/dbraw/zinc/95/01/26/1341950126.db2.gz GGKIDSUXUYAWAM-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033684480 1341950128 /nfs/dbraw/zinc/95/01/28/1341950128.db2.gz GGKIDSUXUYAWAM-UXHICEINSA-N 2 1 349.563 3.364 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033826525 1342027919 /nfs/dbraw/zinc/02/79/19/1342027919.db2.gz QRHDPOCDIUQYBM-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033826525 1342027922 /nfs/dbraw/zinc/02/79/22/1342027922.db2.gz QRHDPOCDIUQYBM-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033826525 1342027925 /nfs/dbraw/zinc/02/79/25/1342027925.db2.gz QRHDPOCDIUQYBM-UXHICEINSA-N 2 1 349.563 3.362 20 0 EGADMP CC[C@H](F)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034046215 1342186191 /nfs/dbraw/zinc/18/61/91/1342186191.db2.gz QSZLEABBPQUBFC-OALUTQOASA-N 2 1 349.494 3.033 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CC(C)(C)C2)C1 ZINC001034205819 1342315980 /nfs/dbraw/zinc/31/59/80/1342315980.db2.gz YYTBLBVBOSQCPF-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001034205819 1342315982 /nfs/dbraw/zinc/31/59/82/1342315982.db2.gz YYTBLBVBOSQCPF-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001034205819 1342315984 /nfs/dbraw/zinc/31/59/84/1342315984.db2.gz YYTBLBVBOSQCPF-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CCC3=CCCCC3)C2)CC[N@H+]1C ZINC001034214760 1342322485 /nfs/dbraw/zinc/32/24/85/1342322485.db2.gz PXURVTZNGZPMHR-YZGWKJHDSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001034214760 1342322491 /nfs/dbraw/zinc/32/24/91/1342322491.db2.gz PXURVTZNGZPMHR-YZGWKJHDSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCC3=CCCCC3)C2)CC[NH+]1C ZINC001034214760 1342322492 /nfs/dbraw/zinc/32/24/92/1342322492.db2.gz PXURVTZNGZPMHR-YZGWKJHDSA-N 2 1 347.547 3.188 20 0 EGADMP O=C(N[C@H]1CCCC[N@@H+](CCC2CC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001034250016 1342347063 /nfs/dbraw/zinc/34/70/63/1342347063.db2.gz NYIDZCRAPFCBRQ-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCCC[NH+](CCC2CC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001034250016 1342347065 /nfs/dbraw/zinc/34/70/65/1342347065.db2.gz NYIDZCRAPFCBRQ-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP O=C(N[C@H]1CCCC[NH+](CCC2CC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001034250016 1342347066 /nfs/dbraw/zinc/34/70/66/1342347066.db2.gz NYIDZCRAPFCBRQ-ICSRJNTNSA-N 2 1 347.547 3.164 20 0 EGADMP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034258290 1342351635 /nfs/dbraw/zinc/35/16/35/1342351635.db2.gz UUUBGAVMXXGHFF-IBGZPJMESA-N 2 1 349.563 3.269 20 0 EGADMP O=C(N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001034329991 1342404034 /nfs/dbraw/zinc/40/40/34/1342404034.db2.gz KFTSZSUVMHFMMW-WOJBJXKFSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034359943 1342431229 /nfs/dbraw/zinc/43/12/29/1342431229.db2.gz DJJNPGFMQUTEPL-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034359943 1342431232 /nfs/dbraw/zinc/43/12/32/1342431232.db2.gz DJJNPGFMQUTEPL-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034359943 1342431234 /nfs/dbraw/zinc/43/12/34/1342431234.db2.gz DJJNPGFMQUTEPL-AZUAARDMSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](CCC2CCCC2)C1 ZINC001034396402 1342465335 /nfs/dbraw/zinc/46/53/35/1342465335.db2.gz FIWNGPHEPCIVOW-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034396402 1342465337 /nfs/dbraw/zinc/46/53/37/1342465337.db2.gz FIWNGPHEPCIVOW-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](CCC2CCCC2)C1 ZINC001034396402 1342465339 /nfs/dbraw/zinc/46/53/39/1342465339.db2.gz FIWNGPHEPCIVOW-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034425519 1342487667 /nfs/dbraw/zinc/48/76/67/1342487667.db2.gz GLROPHUQVWUNGB-DLBZAZTESA-N 2 1 334.508 3.023 20 0 EGADMP CC[C@H](C)C[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034425519 1342487671 /nfs/dbraw/zinc/48/76/71/1342487671.db2.gz GLROPHUQVWUNGB-DLBZAZTESA-N 2 1 334.508 3.023 20 0 EGADMP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001034432078 1342494764 /nfs/dbraw/zinc/49/47/64/1342494764.db2.gz SLZDVLKSROVKHA-HXUWFJFHSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCC2)C1 ZINC001034438203 1342500293 /nfs/dbraw/zinc/50/02/93/1342500293.db2.gz LMXHTOSJKIEMIP-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCC2)C1 ZINC001034438203 1342500295 /nfs/dbraw/zinc/50/02/95/1342500295.db2.gz LMXHTOSJKIEMIP-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCC2)C1 ZINC001034438203 1342500298 /nfs/dbraw/zinc/50/02/98/1342500298.db2.gz LMXHTOSJKIEMIP-OALUTQOASA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034439001 1342501547 /nfs/dbraw/zinc/50/15/47/1342501547.db2.gz REQGBCKDVWQTJT-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034439001 1342501549 /nfs/dbraw/zinc/50/15/49/1342501549.db2.gz REQGBCKDVWQTJT-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034439001 1342501550 /nfs/dbraw/zinc/50/15/50/1342501550.db2.gz REQGBCKDVWQTJT-RBUKOAKNSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CC3CCCC3)C2)CC1 ZINC001034475009 1342531056 /nfs/dbraw/zinc/53/10/56/1342531056.db2.gz OPNRSSUEVAJLLT-FQEVSTJZSA-N 2 1 349.563 3.268 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCC[NH+](CCC3CCCCC3)C2)C1 ZINC001034490023 1342547526 /nfs/dbraw/zinc/54/75/26/1342547526.db2.gz IDCCJYROCYPKDJ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCCC[N@H+](CCC3CCCCC3)C2)C1 ZINC001034490023 1342547528 /nfs/dbraw/zinc/54/75/28/1342547528.db2.gz IDCCJYROCYPKDJ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCCC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001034490023 1342547529 /nfs/dbraw/zinc/54/75/29/1342547529.db2.gz IDCCJYROCYPKDJ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC(C)(C)C)C1 ZINC001034539071 1342597994 /nfs/dbraw/zinc/59/79/94/1342597994.db2.gz VEAQZMVNVLVIHV-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC001034539071 1342597995 /nfs/dbraw/zinc/59/79/95/1342597995.db2.gz VEAQZMVNVLVIHV-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC(C)(C)C)C1 ZINC001034539071 1342597997 /nfs/dbraw/zinc/59/79/97/1342597997.db2.gz VEAQZMVNVLVIHV-MSOLQXFVSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCC2)C1 ZINC001034540218 1342598716 /nfs/dbraw/zinc/59/87/16/1342598716.db2.gz GSWZQIYFKSKHJD-LJQANCHMSA-N 2 1 343.515 3.133 20 0 EGADMP O=C(N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001034663064 1342677497 /nfs/dbraw/zinc/67/74/97/1342677497.db2.gz PPHDXYMEHMAJBU-QWFCFKBJSA-N 2 1 347.547 3.211 20 0 EGADMP O=C(N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001034716360 1342711244 /nfs/dbraw/zinc/71/12/44/1342711244.db2.gz YSOHPAGAABYVPT-BJLQDIEVSA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1 ZINC001034749580 1342737482 /nfs/dbraw/zinc/73/74/82/1342737482.db2.gz NEFVGQLHBPCZMY-GUDVDZBRSA-N 2 1 335.536 3.066 20 0 EGADMP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1ccccc1 ZINC001034792006 1342760882 /nfs/dbraw/zinc/76/08/82/1342760882.db2.gz BPUUEIRFKDRQKX-MUGJNUQGSA-N 2 1 343.515 3.106 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1 ZINC001034795651 1342762690 /nfs/dbraw/zinc/76/26/90/1342762690.db2.gz NZPGZWXVWDRZES-UFYCRDLUSA-N 2 1 343.515 3.078 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC001034796930 1342763478 /nfs/dbraw/zinc/76/34/78/1342763478.db2.gz RJFNNEFMTSWBDV-YOQCTACHSA-N 2 1 349.563 3.312 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC2CCCC2)cc1 ZINC001034820601 1342783510 /nfs/dbraw/zinc/78/35/10/1342783510.db2.gz JYIOIFLXEBRXCZ-FQEVSTJZSA-N 2 1 343.515 3.067 20 0 EGADMP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001034830673 1342791075 /nfs/dbraw/zinc/79/10/75/1342791075.db2.gz ZEVPSANRBGVDTE-IBGZPJMESA-N 2 1 331.504 3.064 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001035071524 1342911725 /nfs/dbraw/zinc/91/17/25/1342911725.db2.gz VYISFKGVTOSPAL-RTBURBONSA-N 2 1 349.563 3.266 20 0 EGADMP CCCC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193770 1343007906 /nfs/dbraw/zinc/00/79/06/1343007906.db2.gz ODPDGYQOHMUBEC-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035193770 1343007911 /nfs/dbraw/zinc/00/79/11/1343007911.db2.gz ODPDGYQOHMUBEC-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035193770 1343007913 /nfs/dbraw/zinc/00/79/13/1343007913.db2.gz ODPDGYQOHMUBEC-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC2(CC[NH+](C(C)C)C2)CC1 ZINC001035244108 1343065522 /nfs/dbraw/zinc/06/55/22/1343065522.db2.gz ITVSZRRKSOKYNU-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](C(C)C)C2)CC1 ZINC001035244108 1343065526 /nfs/dbraw/zinc/06/55/26/1343065526.db2.gz ITVSZRRKSOKYNU-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC2(CC[N@H+](C(C)C)C2)CC1 ZINC001035244108 1343065530 /nfs/dbraw/zinc/06/55/30/1343065530.db2.gz ITVSZRRKSOKYNU-IBGZPJMESA-N 2 1 349.563 3.364 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC[NH+](CCC(C)C)C2)CC1 ZINC001035260510 1343087856 /nfs/dbraw/zinc/08/78/56/1343087856.db2.gz XIRQNMHPQMBFCZ-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](CCC(C)C)C2)CC1 ZINC001035260510 1343087857 /nfs/dbraw/zinc/08/78/57/1343087857.db2.gz XIRQNMHPQMBFCZ-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CCC(C)C)C2)CC1 ZINC001035260510 1343087860 /nfs/dbraw/zinc/08/78/60/1343087860.db2.gz XIRQNMHPQMBFCZ-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035857706 1343233976 /nfs/dbraw/zinc/23/39/76/1343233976.db2.gz CAMBTUNPJRVNBX-HDICACEKSA-N 2 1 349.563 3.220 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902518 1343848911 /nfs/dbraw/zinc/84/89/11/1343848911.db2.gz LQPYYWZIZHHPMJ-WOJBJXKFSA-N 2 1 343.515 3.085 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001037135417 1343985389 /nfs/dbraw/zinc/98/53/89/1343985389.db2.gz AKNSOVSHGNRBCW-RTBURBONSA-N 2 1 346.519 3.036 20 0 EGADMP CC[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001037856946 1344142473 /nfs/dbraw/zinc/14/24/73/1344142473.db2.gz AQOMHWBEJCHQSB-ICSRJNTNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001037862906 1344147530 /nfs/dbraw/zinc/14/75/30/1344147530.db2.gz WMOBCLFYZHSRCF-ICSRJNTNSA-N 2 1 347.547 3.188 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC1CCCCCC1 ZINC001038329256 1344382637 /nfs/dbraw/zinc/38/26/37/1344382637.db2.gz PASZNLIEXPJQCX-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCCC1 ZINC001038329256 1344382639 /nfs/dbraw/zinc/38/26/39/1344382639.db2.gz PASZNLIEXPJQCX-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCCC1 ZINC001038329256 1344382641 /nfs/dbraw/zinc/38/26/41/1344382641.db2.gz PASZNLIEXPJQCX-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001038448121 1344431042 /nfs/dbraw/zinc/43/10/42/1344431042.db2.gz HBLZKHIUTWWJHW-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCC1 ZINC001038448121 1344431046 /nfs/dbraw/zinc/43/10/46/1344431046.db2.gz HBLZKHIUTWWJHW-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCC1 ZINC001038448121 1344431048 /nfs/dbraw/zinc/43/10/48/1344431048.db2.gz HBLZKHIUTWWJHW-UXHICEINSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038706249 1344549027 /nfs/dbraw/zinc/54/90/27/1344549027.db2.gz SOBJVYYPAPMIQE-HXUWFJFHSA-N 2 1 345.531 3.031 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC1=CCCCC1 ZINC001038906605 1344645023 /nfs/dbraw/zinc/64/50/23/1344645023.db2.gz CHSZJXBAFJMSLG-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001038906605 1344645027 /nfs/dbraw/zinc/64/50/27/1344645027.db2.gz CHSZJXBAFJMSLG-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1=CCCCC1 ZINC001038906605 1344645030 /nfs/dbraw/zinc/64/50/30/1344645030.db2.gz CHSZJXBAFJMSLG-WOJBJXKFSA-N 2 1 347.547 3.332 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001039051396 1344736736 /nfs/dbraw/zinc/73/67/36/1344736736.db2.gz VPXVUYIBSKOPPD-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001039051396 1344736740 /nfs/dbraw/zinc/73/67/40/1344736740.db2.gz VPXVUYIBSKOPPD-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001039051396 1344736745 /nfs/dbraw/zinc/73/67/45/1344736745.db2.gz VPXVUYIBSKOPPD-OALUTQOASA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039112826 1344784867 /nfs/dbraw/zinc/78/48/67/1344784867.db2.gz IZGXFVDCSJOMDE-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039112826 1344784876 /nfs/dbraw/zinc/78/48/76/1344784876.db2.gz IZGXFVDCSJOMDE-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039112826 1344784879 /nfs/dbraw/zinc/78/48/79/1344784879.db2.gz IZGXFVDCSJOMDE-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167153 1344854060 /nfs/dbraw/zinc/85/40/60/1344854060.db2.gz MZBULMWBQQLEKV-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173111 1344863552 /nfs/dbraw/zinc/86/35/52/1344863552.db2.gz NUFRBWNREWTRRE-HXUWFJFHSA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC2)C1 ZINC001039183047 1344881242 /nfs/dbraw/zinc/88/12/42/1344881242.db2.gz UZJVAVSYBVSVJM-VQTJNVASSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CC)C2)CC1 ZINC001039185725 1344885393 /nfs/dbraw/zinc/88/53/93/1344885393.db2.gz WDXLQKYUGIVAFW-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CC[N@H+](CC)C2)CC1 ZINC001039185725 1344885399 /nfs/dbraw/zinc/88/53/99/1344885399.db2.gz WDXLQKYUGIVAFW-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CC)C2)CC1 ZINC001039185725 1344885405 /nfs/dbraw/zinc/88/54/05/1344885405.db2.gz WDXLQKYUGIVAFW-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001039386994 1345039776 /nfs/dbraw/zinc/03/97/76/1345039776.db2.gz NNIFBWBMPDKFDE-QYZOEREBSA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001039386994 1345039777 /nfs/dbraw/zinc/03/97/77/1345039777.db2.gz NNIFBWBMPDKFDE-QYZOEREBSA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001039386994 1345039781 /nfs/dbraw/zinc/03/97/81/1345039781.db2.gz NNIFBWBMPDKFDE-QYZOEREBSA-N 2 1 335.536 3.115 20 0 EGADMP CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001039422708 1345060839 /nfs/dbraw/zinc/06/08/39/1345060839.db2.gz LWTLTQIFDGRTJB-AABGKKOBSA-N 2 1 347.547 3.259 20 0 EGADMP CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001039422708 1345060840 /nfs/dbraw/zinc/06/08/40/1345060840.db2.gz LWTLTQIFDGRTJB-AABGKKOBSA-N 2 1 347.547 3.259 20 0 EGADMP CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001039422708 1345060844 /nfs/dbraw/zinc/06/08/44/1345060844.db2.gz LWTLTQIFDGRTJB-AABGKKOBSA-N 2 1 347.547 3.259 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001039447919 1345072559 /nfs/dbraw/zinc/07/25/59/1345072559.db2.gz PMOORMNUXGQDNJ-QYZOEREBSA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001039447919 1345072562 /nfs/dbraw/zinc/07/25/62/1345072562.db2.gz PMOORMNUXGQDNJ-QYZOEREBSA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001039447919 1345072563 /nfs/dbraw/zinc/07/25/63/1345072563.db2.gz PMOORMNUXGQDNJ-QYZOEREBSA-N 2 1 335.536 3.115 20 0 EGADMP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001039474925 1345089742 /nfs/dbraw/zinc/08/97/42/1345089742.db2.gz PIESATWHYOMZCD-AABGKKOBSA-N 2 1 343.515 3.155 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001039474925 1345089744 /nfs/dbraw/zinc/08/97/44/1345089744.db2.gz PIESATWHYOMZCD-AABGKKOBSA-N 2 1 343.515 3.155 20 0 EGADMP CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCC1)[NH+]1CCCC1 ZINC001039822268 1345200075 /nfs/dbraw/zinc/20/00/75/1345200075.db2.gz DISMNQGGDSZTQB-KDURUIRLSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC(C)(C)C)C2 ZINC001040264110 1345402041 /nfs/dbraw/zinc/40/20/41/1345402041.db2.gz LSFQPYDBPLPIMO-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC(C)(C)C)C2 ZINC001040264110 1345402042 /nfs/dbraw/zinc/40/20/42/1345402042.db2.gz LSFQPYDBPLPIMO-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC(C)(C)C)C2 ZINC001040264110 1345402044 /nfs/dbraw/zinc/40/20/44/1345402044.db2.gz LSFQPYDBPLPIMO-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1=CCCCC1)C2)[NH+](C)C ZINC001040400375 1345476936 /nfs/dbraw/zinc/47/69/36/1345476936.db2.gz UFJFBNXURRTFRN-FPOVZHCZSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040431366 1345493815 /nfs/dbraw/zinc/49/38/15/1345493815.db2.gz GNVQNBUBORXUEW-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040431366 1345493817 /nfs/dbraw/zinc/49/38/17/1345493817.db2.gz GNVQNBUBORXUEW-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040431366 1345493819 /nfs/dbraw/zinc/49/38/19/1345493819.db2.gz GNVQNBUBORXUEW-FPOVZHCZSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040432243 1345494921 /nfs/dbraw/zinc/49/49/21/1345494921.db2.gz NLAMWOCROZDPRG-NQIIRXRSSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040432320 1345494975 /nfs/dbraw/zinc/49/49/75/1345494975.db2.gz NRWVYHXOLLQFIF-NRFANRHFSA-N 2 1 349.563 3.079 20 0 EGADMP CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040432936 1345495698 /nfs/dbraw/zinc/49/56/98/1345495698.db2.gz QIURGPGLYNEKLJ-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040432936 1345495701 /nfs/dbraw/zinc/49/57/01/1345495701.db2.gz QIURGPGLYNEKLJ-TZIWHRDSSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001040452747 1345508001 /nfs/dbraw/zinc/50/80/01/1345508001.db2.gz KHLIVWMKAWELSB-NRFANRHFSA-N 2 1 343.515 3.085 20 0 EGADMP CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040544819 1345539109 /nfs/dbraw/zinc/53/91/09/1345539109.db2.gz KFHKZEKMZBOHBI-FPOVZHCZSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545933 1345539746 /nfs/dbraw/zinc/53/97/46/1345539746.db2.gz YUEJOUSYJPQQIA-TZIWHRDSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041590690 1345785225 /nfs/dbraw/zinc/78/52/25/1345785225.db2.gz SAUBNGGVLIOYBJ-PZJWPPBQSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041590690 1345785227 /nfs/dbraw/zinc/78/52/27/1345785227.db2.gz SAUBNGGVLIOYBJ-PZJWPPBQSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001041590690 1345785232 /nfs/dbraw/zinc/78/52/32/1345785232.db2.gz SAUBNGGVLIOYBJ-PZJWPPBQSA-N 2 1 347.547 3.116 20 0 EGADMP CCCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042124606 1345950392 /nfs/dbraw/zinc/95/03/92/1345950392.db2.gz IQTGSUMYTAYYOH-PKOBYXMFSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21 ZINC001042124606 1345950393 /nfs/dbraw/zinc/95/03/93/1345950393.db2.gz IQTGSUMYTAYYOH-PKOBYXMFSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001042124606 1345950394 /nfs/dbraw/zinc/95/03/94/1345950394.db2.gz IQTGSUMYTAYYOH-PKOBYXMFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815708 1373819991 /nfs/dbraw/zinc/81/99/91/1373819991.db2.gz QFFHFVHIKDESDO-QGZVFWFLSA-N 2 1 325.541 3.029 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042371023 1346060867 /nfs/dbraw/zinc/06/08/67/1346060867.db2.gz KDXJICFJXFQXIC-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C1C[NH+](CC2CCC(C)CC2)C1 ZINC001042921547 1346125012 /nfs/dbraw/zinc/12/50/12/1346125012.db2.gz KQAMKJFBHIJEKC-ACBHZAAOSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@@H]1CCC[C@H](CC[NH+]2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001043522234 1346186229 /nfs/dbraw/zinc/18/62/29/1346186229.db2.gz YCFJZRTUXQVZAM-QZTJIDSGSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)C1C[NH+](CC2CCCCCC2)C1 ZINC001043988709 1346229703 /nfs/dbraw/zinc/22/97/03/1346229703.db2.gz RDGPJVSHNFJHLY-UHFFFAOYSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CC2CCCCCC2)C1 ZINC001044005917 1346232772 /nfs/dbraw/zinc/23/27/72/1346232772.db2.gz ITDNIGGZLJJYMW-HXUWFJFHSA-N 2 1 349.563 3.362 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CCC2CCCC2)C1 ZINC001044170445 1346265506 /nfs/dbraw/zinc/26/55/06/1346265506.db2.gz OZAQTWUKUQNBSI-FQEVSTJZSA-N 2 1 349.563 3.364 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C[C@H]1C ZINC001044679796 1346401828 /nfs/dbraw/zinc/40/18/28/1346401828.db2.gz CEVOPHLXLNIGOF-VQIMIIECSA-N 2 1 346.519 3.131 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045225704 1346534929 /nfs/dbraw/zinc/53/49/29/1346534929.db2.gz QHKYDPDJCXCMTK-SFHVURJKSA-N 2 1 344.503 3.088 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001045322225 1346559837 /nfs/dbraw/zinc/55/98/37/1346559837.db2.gz IXXRQLCJLVEVMA-OALUTQOASA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001045389855 1346580713 /nfs/dbraw/zinc/58/07/13/1346580713.db2.gz MAEXUKZXAHATQU-SFHVURJKSA-N 2 1 347.547 3.022 20 0 EGADMP CC1(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC[NH+](CC2CCCC2)CC1 ZINC001045438942 1346593906 /nfs/dbraw/zinc/59/39/06/1346593906.db2.gz XSBGCNACZWPVJK-RBUKOAKNSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](Cc2ccsc2)CC1 ZINC001045438931 1346594276 /nfs/dbraw/zinc/59/42/76/1346594276.db2.gz XISJTCPUAAABOO-QGZVFWFLSA-N 2 1 349.544 3.092 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1(C)CC[NH+](CC2CCCCCC2)CC1 ZINC001045557372 1346628789 /nfs/dbraw/zinc/62/87/89/1346628789.db2.gz IMQGEXVIHBZKPY-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1(C)CC[NH+](CCC2CCCCC2)CC1 ZINC001045557861 1346628862 /nfs/dbraw/zinc/62/88/62/1346628862.db2.gz XHTDSEDQSSOFHA-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)CC[N@H+]1C ZINC001045834345 1346714100 /nfs/dbraw/zinc/71/41/00/1346714100.db2.gz BRLVAQXDOAGHFX-OKYOBFRVSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001045834345 1346714104 /nfs/dbraw/zinc/71/41/04/1346714104.db2.gz BRLVAQXDOAGHFX-OKYOBFRVSA-N 2 1 349.563 3.218 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)CC[NH+]1C ZINC001045834345 1346714105 /nfs/dbraw/zinc/71/41/05/1346714105.db2.gz BRLVAQXDOAGHFX-OKYOBFRVSA-N 2 1 349.563 3.218 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1)[NH+](C)C ZINC001045947301 1346782745 /nfs/dbraw/zinc/78/27/45/1346782745.db2.gz LJPRXUNXHVJHPP-CTNGQTDRSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001045961094 1346796436 /nfs/dbraw/zinc/79/64/36/1346796436.db2.gz GHTIGJKZXTXMST-CTNGQTDRSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001045961094 1346796439 /nfs/dbraw/zinc/79/64/39/1346796439.db2.gz GHTIGJKZXTXMST-CTNGQTDRSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001045961094 1346796441 /nfs/dbraw/zinc/79/64/41/1346796441.db2.gz GHTIGJKZXTXMST-CTNGQTDRSA-N 2 1 349.563 3.223 20 0 EGADMP CC(C)=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001045967541 1346802387 /nfs/dbraw/zinc/80/23/87/1346802387.db2.gz WYODUXZBQGENDS-TZIWHRDSSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045967541 1346802388 /nfs/dbraw/zinc/80/23/88/1346802388.db2.gz WYODUXZBQGENDS-TZIWHRDSSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045967541 1346802389 /nfs/dbraw/zinc/80/23/89/1346802389.db2.gz WYODUXZBQGENDS-TZIWHRDSSA-N 2 1 347.547 3.142 20 0 EGADMP CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045985813 1346826926 /nfs/dbraw/zinc/82/69/26/1346826926.db2.gz CRCIBJWYXQAJIM-OAQYLSRUSA-N 2 1 349.563 3.223 20 0 EGADMP C[C@]1(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+](CCC2CC2)C1 ZINC001046315513 1346931390 /nfs/dbraw/zinc/93/13/90/1346931390.db2.gz XBORKRGPRDGANX-RXVVDRJESA-N 2 1 347.547 3.022 20 0 EGADMP C[C@]1(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+](CCC2CC2)C1 ZINC001046315513 1346931391 /nfs/dbraw/zinc/93/13/91/1346931391.db2.gz XBORKRGPRDGANX-RXVVDRJESA-N 2 1 347.547 3.022 20 0 EGADMP C[C@]1(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](CCC2CC2)C1 ZINC001046315513 1346931392 /nfs/dbraw/zinc/93/13/92/1346931392.db2.gz XBORKRGPRDGANX-RXVVDRJESA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046760454 1347087874 /nfs/dbraw/zinc/08/78/74/1347087874.db2.gz GMJVYZNNGKPBDA-NRFANRHFSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046760301 1347087897 /nfs/dbraw/zinc/08/78/97/1347087897.db2.gz FGKGORNAEHJPMD-NRFANRHFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001047244083 1347269737 /nfs/dbraw/zinc/26/97/37/1347269737.db2.gz PLSNZCKFSVPRJW-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001047257781 1347280515 /nfs/dbraw/zinc/28/05/15/1347280515.db2.gz UDJXLDQZFIFCGY-UYAOXDASSA-N 2 1 349.563 3.077 20 0 EGADMP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047263313 1347284447 /nfs/dbraw/zinc/28/44/47/1347284447.db2.gz GASNNXSCCPAVSM-UYAOXDASSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCCC2)C[C@H]1C ZINC001079687898 1357348886 /nfs/dbraw/zinc/34/88/86/1357348886.db2.gz YBTUYJQLUSXMKI-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1C ZINC001079687898 1357348888 /nfs/dbraw/zinc/34/88/88/1357348888.db2.gz YBTUYJQLUSXMKI-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1C ZINC001079687898 1357348891 /nfs/dbraw/zinc/34/88/91/1357348891.db2.gz YBTUYJQLUSXMKI-RLLQIKCJSA-N 2 1 349.563 3.266 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(C)C ZINC001049483994 1347870767 /nfs/dbraw/zinc/87/07/67/1347870767.db2.gz DUBADXOMGDIPAS-FGTMMUONSA-N 2 1 346.519 3.118 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(C)C ZINC001049483994 1347870768 /nfs/dbraw/zinc/87/07/68/1347870768.db2.gz DUBADXOMGDIPAS-FGTMMUONSA-N 2 1 346.519 3.118 20 0 EGADMP C[N@@H+](CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCCC1)C1CCC1 ZINC001049522035 1347890122 /nfs/dbraw/zinc/89/01/22/1347890122.db2.gz NZQVGUNHAZFFKA-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCCC1)C1CCC1 ZINC001049522035 1347890124 /nfs/dbraw/zinc/89/01/24/1347890124.db2.gz NZQVGUNHAZFFKA-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+](CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCCC1)C1CCC1 ZINC001049522035 1347890126 /nfs/dbraw/zinc/89/01/26/1347890126.db2.gz NZQVGUNHAZFFKA-PMACEKPBSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCCC1 ZINC001049557017 1347908321 /nfs/dbraw/zinc/90/83/21/1347908321.db2.gz FOOJXBFMNCARLL-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCCC1 ZINC001049557017 1347908322 /nfs/dbraw/zinc/90/83/22/1347908322.db2.gz FOOJXBFMNCARLL-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCCC1 ZINC001049557017 1347908324 /nfs/dbraw/zinc/90/83/24/1347908324.db2.gz FOOJXBFMNCARLL-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC1CCCC1 ZINC001049558819 1347908776 /nfs/dbraw/zinc/90/87/76/1347908776.db2.gz RWLVUBXOYGJFBV-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CCCC1 ZINC001049558819 1347908779 /nfs/dbraw/zinc/90/87/79/1347908779.db2.gz RWLVUBXOYGJFBV-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CCCC1 ZINC001049558819 1347908781 /nfs/dbraw/zinc/90/87/81/1347908781.db2.gz RWLVUBXOYGJFBV-VAMGGRTRSA-N 2 1 347.547 3.116 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049565059 1347912720 /nfs/dbraw/zinc/91/27/20/1347912720.db2.gz SEIATEKAGFJQFM-RBUKOAKNSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049565059 1347912722 /nfs/dbraw/zinc/91/27/22/1347912722.db2.gz SEIATEKAGFJQFM-RBUKOAKNSA-N 2 1 349.563 3.361 20 0 EGADMP CC(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049565059 1347912723 /nfs/dbraw/zinc/91/27/23/1347912723.db2.gz SEIATEKAGFJQFM-RBUKOAKNSA-N 2 1 349.563 3.361 20 0 EGADMP CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001049663758 1347962612 /nfs/dbraw/zinc/96/26/12/1347962612.db2.gz NDDDFJJDSHRNBX-AQNXPRMDSA-N 2 1 347.547 3.259 20 0 EGADMP CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001049663758 1347962614 /nfs/dbraw/zinc/96/26/14/1347962614.db2.gz NDDDFJJDSHRNBX-AQNXPRMDSA-N 2 1 347.547 3.259 20 0 EGADMP CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001049663758 1347962617 /nfs/dbraw/zinc/96/26/17/1347962617.db2.gz NDDDFJJDSHRNBX-AQNXPRMDSA-N 2 1 347.547 3.259 20 0 EGADMP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049674360 1347967319 /nfs/dbraw/zinc/96/73/19/1347967319.db2.gz CDSVFBWIZMNKSL-JQHSSLGASA-N 2 1 347.503 3.066 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049674360 1347967321 /nfs/dbraw/zinc/96/73/21/1347967321.db2.gz CDSVFBWIZMNKSL-JQHSSLGASA-N 2 1 347.503 3.066 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049711310 1347985814 /nfs/dbraw/zinc/98/58/14/1347985814.db2.gz LXFODVMGRSRKIJ-GBESFXJTSA-N 2 1 337.552 3.074 20 0 EGADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049764449 1348009308 /nfs/dbraw/zinc/00/93/08/1348009308.db2.gz CZWVOTFPIIJJEJ-VAMGGRTRSA-N 2 1 347.547 3.282 20 0 EGADMP CCC(CC)C[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050068917 1348171725 /nfs/dbraw/zinc/17/17/25/1348171725.db2.gz PKHDQCDEZGZDPS-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001050068917 1348171729 /nfs/dbraw/zinc/17/17/29/1348171729.db2.gz PKHDQCDEZGZDPS-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP CCC(CC)C[NH+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001050068917 1348171730 /nfs/dbraw/zinc/17/17/30/1348171730.db2.gz PKHDQCDEZGZDPS-SLFFLAALSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC001050068709 1348171753 /nfs/dbraw/zinc/17/17/53/1348171753.db2.gz GWLBXDBUQDBFQA-GBESFXJTSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1CCC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001050068709 1348171755 /nfs/dbraw/zinc/17/17/55/1348171755.db2.gz GWLBXDBUQDBFQA-GBESFXJTSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N1CCC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001050068709 1348171758 /nfs/dbraw/zinc/17/17/58/1348171758.db2.gz GWLBXDBUQDBFQA-GBESFXJTSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCc2ccc([C@@H](C)[NH2+]CC)cc2)C1 ZINC001050269943 1348223906 /nfs/dbraw/zinc/22/39/06/1348223906.db2.gz KLIQLBYYLLAWNC-APWZRJJASA-N 2 1 331.504 3.095 20 0 EGADMP CC(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001050576987 1348292448 /nfs/dbraw/zinc/29/24/48/1348292448.db2.gz KFEYBVJWBQZKCE-LJQANCHMSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1C ZINC001079849061 1357400633 /nfs/dbraw/zinc/40/06/33/1357400633.db2.gz NJCBLABOWHNSSK-MISYRCLQSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001079849061 1357400634 /nfs/dbraw/zinc/40/06/34/1357400634.db2.gz NJCBLABOWHNSSK-MISYRCLQSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C ZINC001079849061 1357400636 /nfs/dbraw/zinc/40/06/36/1357400636.db2.gz NJCBLABOWHNSSK-MISYRCLQSA-N 2 1 347.547 3.186 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1C ZINC001079848526 1357400898 /nfs/dbraw/zinc/40/08/98/1357400898.db2.gz AIICFKKGHHTFRN-FGTMMUONSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001079848526 1357400902 /nfs/dbraw/zinc/40/09/02/1357400902.db2.gz AIICFKKGHHTFRN-FGTMMUONSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001079848526 1357400905 /nfs/dbraw/zinc/40/09/05/1357400905.db2.gz AIICFKKGHHTFRN-FGTMMUONSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)(C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)CC1)[NH+]1CCCCC1 ZINC001052377726 1348535899 /nfs/dbraw/zinc/53/58/99/1348535899.db2.gz QRWFWIWSVOGDDE-SFHVURJKSA-N 2 1 335.536 3.022 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052378990 1348536228 /nfs/dbraw/zinc/53/62/28/1348536228.db2.gz ZKCYCSXUQYEHRQ-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381406 1348537004 /nfs/dbraw/zinc/53/70/04/1348537004.db2.gz PZDAXGSWJOOMGM-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052381406 1348537006 /nfs/dbraw/zinc/53/70/06/1348537006.db2.gz PZDAXGSWJOOMGM-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CC(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052381406 1348537008 /nfs/dbraw/zinc/53/70/08/1348537008.db2.gz PZDAXGSWJOOMGM-MOPGFXCFSA-N 2 1 349.563 3.268 20 0 EGADMP CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381482 1348537126 /nfs/dbraw/zinc/53/71/26/1348537126.db2.gz RTMBSMNCVAPVJS-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052381482 1348537127 /nfs/dbraw/zinc/53/71/27/1348537127.db2.gz RTMBSMNCVAPVJS-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052381482 1348537130 /nfs/dbraw/zinc/53/71/30/1348537130.db2.gz RTMBSMNCVAPVJS-ROUUACIJSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1c(C(=O)N[C@H]2CCC[N@@H+](CC3CCC3)CC2)ccc2c[nH+]cn21 ZINC001052513899 1348563794 /nfs/dbraw/zinc/56/37/94/1348563794.db2.gz KOQWSCJZRYKRIB-KRWDZBQOSA-N 2 1 340.471 3.027 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515200 1348563823 /nfs/dbraw/zinc/56/38/23/1348563823.db2.gz BHGYRHRQPQIQKL-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515200 1348563826 /nfs/dbraw/zinc/56/38/26/1348563826.db2.gz BHGYRHRQPQIQKL-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052515200 1348563828 /nfs/dbraw/zinc/56/38/28/1348563828.db2.gz BHGYRHRQPQIQKL-OALUTQOASA-N 2 1 337.552 3.124 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052934086 1348754272 /nfs/dbraw/zinc/75/42/72/1348754272.db2.gz HRGGHTBQLDPWRW-PMACEKPBSA-N 2 1 343.515 3.204 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001052936191 1348755692 /nfs/dbraw/zinc/75/56/92/1348755692.db2.gz YJBDIFVMSDOHET-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001052936191 1348755694 /nfs/dbraw/zinc/75/56/94/1348755694.db2.gz YJBDIFVMSDOHET-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052955063 1348768072 /nfs/dbraw/zinc/76/80/72/1348768072.db2.gz YGWZEUXWPHVHFB-FXAWDEMLSA-N 2 1 345.531 3.379 20 0 EGADMP CCCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001053028463 1348827530 /nfs/dbraw/zinc/82/75/30/1348827530.db2.gz MEABUGWMKNKLLF-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001053028463 1348827533 /nfs/dbraw/zinc/82/75/33/1348827533.db2.gz MEABUGWMKNKLLF-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053028463 1348827535 /nfs/dbraw/zinc/82/75/35/1348827535.db2.gz MEABUGWMKNKLLF-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001053051392 1348855279 /nfs/dbraw/zinc/85/52/79/1348855279.db2.gz OIGVVUXRYOQCOQ-WOJBJXKFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001054159463 1349161491 /nfs/dbraw/zinc/16/14/91/1349161491.db2.gz VVCSXDLTBCLBBQ-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001054159463 1349161496 /nfs/dbraw/zinc/16/14/96/1349161496.db2.gz VVCSXDLTBCLBBQ-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159463 1349161497 /nfs/dbraw/zinc/16/14/97/1349161497.db2.gz VVCSXDLTBCLBBQ-CTNGQTDRSA-N 2 1 349.563 3.077 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197748 1349200586 /nfs/dbraw/zinc/20/05/86/1349200586.db2.gz HSBBIGPUKYFZKY-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001054197748 1349200589 /nfs/dbraw/zinc/20/05/89/1349200589.db2.gz HSBBIGPUKYFZKY-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CCC(CC)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001054197748 1349200593 /nfs/dbraw/zinc/20/05/93/1349200593.db2.gz HSBBIGPUKYFZKY-NQIIRXRSSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001054209512 1349210816 /nfs/dbraw/zinc/21/08/16/1349210816.db2.gz RPFPRQHCBCLDAK-HXUWFJFHSA-N 2 1 346.519 3.120 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001054209512 1349210818 /nfs/dbraw/zinc/21/08/18/1349210818.db2.gz RPFPRQHCBCLDAK-HXUWFJFHSA-N 2 1 346.519 3.120 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](CCC(C)(C)C)C2 ZINC001054259405 1349255158 /nfs/dbraw/zinc/25/51/58/1349255158.db2.gz YKDFPLMXJKORTL-IBGZPJMESA-N 2 1 343.515 3.149 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](CCC(C)(C)C)C2 ZINC001054259405 1349255162 /nfs/dbraw/zinc/25/51/62/1349255162.db2.gz YKDFPLMXJKORTL-IBGZPJMESA-N 2 1 343.515 3.149 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](CCC(C)(C)C)C2 ZINC001054259405 1349255164 /nfs/dbraw/zinc/25/51/64/1349255164.db2.gz YKDFPLMXJKORTL-IBGZPJMESA-N 2 1 343.515 3.149 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1C ZINC001080021562 1357460812 /nfs/dbraw/zinc/46/08/12/1357460812.db2.gz FWVDZUMTSBLYJW-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C ZINC001080021562 1357460816 /nfs/dbraw/zinc/46/08/16/1357460816.db2.gz FWVDZUMTSBLYJW-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C ZINC001080021562 1357460820 /nfs/dbraw/zinc/46/08/20/1357460820.db2.gz FWVDZUMTSBLYJW-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037003 1357463529 /nfs/dbraw/zinc/46/35/29/1357463529.db2.gz BCEPWFPMCLHNPJ-IEBWSBKVSA-N 2 1 347.547 3.022 20 0 EGADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554246 1357677036 /nfs/dbraw/zinc/67/70/36/1357677036.db2.gz HVINHQSYWCKWPR-KZNAEPCWSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)=CC[N@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071545500 1354757950 /nfs/dbraw/zinc/75/79/50/1354757950.db2.gz AQZAWSWYJRCDOW-DOTOQJQBSA-N 2 1 349.544 3.359 20 0 EGADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071545500 1354757951 /nfs/dbraw/zinc/75/79/51/1354757951.db2.gz AQZAWSWYJRCDOW-DOTOQJQBSA-N 2 1 349.544 3.359 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[N@H+]1CCC(C)(C)C ZINC001071606011 1354791653 /nfs/dbraw/zinc/79/16/53/1354791653.db2.gz FJMNTGQGRWSJHG-MSOLQXFVSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CCCC1CCC1 ZINC001071645254 1354824269 /nfs/dbraw/zinc/82/42/69/1354824269.db2.gz IFXINJYZFZOCGQ-PKOBYXMFSA-N 2 1 347.547 3.164 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CC1CCCCC1 ZINC001071645605 1354824309 /nfs/dbraw/zinc/82/43/09/1354824309.db2.gz LDGGJWAJUNZCPP-IEBWSBKVSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)C[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001071701669 1354859999 /nfs/dbraw/zinc/85/99/99/1354859999.db2.gz MCTBZGGUIHDFON-MJGOQNOKSA-N 2 1 345.531 3.029 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C[N@@H+]1CCC(C)(C)C ZINC001071769111 1354914714 /nfs/dbraw/zinc/91/47/14/1354914714.db2.gz LMJPVEBVVZXHAD-DOTOQJQBSA-N 2 1 349.519 3.360 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C[N@H+]1CCC(C)(C)C ZINC001071769111 1354914719 /nfs/dbraw/zinc/91/47/19/1354914719.db2.gz LMJPVEBVVZXHAD-DOTOQJQBSA-N 2 1 349.519 3.360 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CCCC1CCC1 ZINC001071822203 1354961716 /nfs/dbraw/zinc/96/17/16/1354961716.db2.gz VTXPTAMKPFIIHL-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CCCC1CCC1 ZINC001071822203 1354961719 /nfs/dbraw/zinc/96/17/19/1354961719.db2.gz VTXPTAMKPFIIHL-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CCCC1CCC1 ZINC001071822203 1354961722 /nfs/dbraw/zinc/96/17/22/1354961722.db2.gz VTXPTAMKPFIIHL-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[N@H+]1CC1CCCCC1 ZINC001071821643 1354962859 /nfs/dbraw/zinc/96/28/59/1354962859.db2.gz ROVJYVUFIWPGJA-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[NH+]1CC1CCCCC1 ZINC001071821643 1354962864 /nfs/dbraw/zinc/96/28/64/1354962864.db2.gz ROVJYVUFIWPGJA-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[NH+]1CC1CCCCC1 ZINC001071821643 1354962868 /nfs/dbraw/zinc/96/28/68/1354962868.db2.gz ROVJYVUFIWPGJA-HKUYNNGSSA-N 2 1 349.563 3.268 20 0 EGADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001071919682 1355024308 /nfs/dbraw/zinc/02/43/08/1355024308.db2.gz GFYKKYFYELVKPK-PKOBYXMFSA-N 2 1 337.552 3.124 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CC1CCCCCC1 ZINC001072081006 1355118254 /nfs/dbraw/zinc/11/82/54/1355118254.db2.gz FJVLRIARTWDIDL-PKOBYXMFSA-N 2 1 335.536 3.022 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001072084380 1355120151 /nfs/dbraw/zinc/12/01/51/1355120151.db2.gz BDALJCGDZQKUJZ-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001072084380 1355120153 /nfs/dbraw/zinc/12/01/53/1355120153.db2.gz BDALJCGDZQKUJZ-LPHOPBHVSA-N 2 1 346.519 3.131 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@H+]1CCC1CC1 ZINC001072099491 1355129342 /nfs/dbraw/zinc/12/93/42/1355129342.db2.gz RMYQYLDCHORYHY-APWZRJJASA-N 2 1 343.515 3.131 20 0 EGADMP C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001072301476 1355228666 /nfs/dbraw/zinc/22/86/66/1355228666.db2.gz QVRZFKFZFANQKA-PKOBYXMFSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001072309952 1355232363 /nfs/dbraw/zinc/23/23/63/1355232363.db2.gz OUPFRYIWJDEPOS-SJORKVTESA-N 2 1 337.552 3.122 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001072882594 1355482371 /nfs/dbraw/zinc/48/23/71/1355482371.db2.gz FRWCDBYZLSJJBE-QGZVFWFLSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001072882594 1355482373 /nfs/dbraw/zinc/48/23/73/1355482373.db2.gz FRWCDBYZLSJJBE-QGZVFWFLSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001072882594 1355482377 /nfs/dbraw/zinc/48/23/77/1355482377.db2.gz FRWCDBYZLSJJBE-QGZVFWFLSA-N 2 1 349.563 3.220 20 0 EGADMP CC[C@@H](C(=O)N1CC2(C1)CC[N@H+]([C@@H](CC)c1ccccc1)C2)[NH+](C)C ZINC001072989928 1355536320 /nfs/dbraw/zinc/53/63/20/1355536320.db2.gz PVROBHVQUODUDJ-OALUTQOASA-N 2 1 343.515 3.012 20 0 EGADMP CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCC1CCCCCC1)C2)[NH+](C)C ZINC001072990785 1355536720 /nfs/dbraw/zinc/53/67/20/1355536720.db2.gz GINHYPCTIHIONL-IBGZPJMESA-N 2 1 349.563 3.221 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H](C)c2ccccc2)C1 ZINC001183228656 1387282791 /nfs/dbraw/zinc/28/27/91/1387282791.db2.gz OUEVKLLWIYRNTG-DBXWQHBBSA-N 2 1 345.531 3.164 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1)[NH+](C)C ZINC001074028635 1356042997 /nfs/dbraw/zinc/04/29/97/1356042997.db2.gz DSMQPYHVOVNJEU-QZTJIDSGSA-N 2 1 337.552 3.076 20 0 EGADMP C[N@@H+](C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1)CC1CCCCCC1 ZINC001074100059 1356082973 /nfs/dbraw/zinc/08/29/73/1356082973.db2.gz OIBXHUFMNUTLCC-HXUWFJFHSA-N 2 1 349.563 3.366 20 0 EGADMP Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@H]2C)cs1 ZINC001074649291 1356221067 /nfs/dbraw/zinc/22/10/67/1356221067.db2.gz VVWFOQDMIGTXDT-RYQLBKOJSA-N 2 1 349.544 3.008 20 0 EGADMP CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C)c1ccccc1 ZINC001074809597 1356249942 /nfs/dbraw/zinc/24/99/42/1356249942.db2.gz UAZDFCUBURDZGN-RNQOJCNYSA-N 2 1 343.515 3.201 20 0 EGADMP C[C@H]1[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001074812058 1356251035 /nfs/dbraw/zinc/25/10/35/1356251035.db2.gz VYNCOWRZXAUMQX-WDSOQIARSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)[C@@H]1C ZINC001074877504 1356276901 /nfs/dbraw/zinc/27/69/01/1356276901.db2.gz CEJLMIXURRVVJG-BJLQDIEVSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)CC1 ZINC001075461538 1356394892 /nfs/dbraw/zinc/39/48/92/1356394892.db2.gz KQCANQJXTVCDGQ-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001075461538 1356394896 /nfs/dbraw/zinc/39/48/96/1356394896.db2.gz KQCANQJXTVCDGQ-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[NH+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461538 1356394899 /nfs/dbraw/zinc/39/48/99/1356394899.db2.gz KQCANQJXTVCDGQ-MOPGFXCFSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001183255143 1387286554 /nfs/dbraw/zinc/28/65/54/1387286554.db2.gz KGZFXVVEQFVZOJ-UXHICEINSA-N 2 1 349.563 3.410 20 0 EGADMP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099257595 1363718008 /nfs/dbraw/zinc/71/80/08/1363718008.db2.gz IIBLEHWMCWTLBV-LJQANCHMSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001082559073 1358057272 /nfs/dbraw/zinc/05/72/72/1358057272.db2.gz RNUDRXYMHBUUBT-BHIYHBOVSA-N 2 1 349.563 3.122 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084701027 1358286166 /nfs/dbraw/zinc/28/61/66/1358286166.db2.gz LAICNWBAFZFLFD-DFQSSKMNSA-N 2 1 349.563 3.220 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001085245424 1358442851 /nfs/dbraw/zinc/44/28/51/1358442851.db2.gz XIOJEESGCJMWOP-AQNXPRMDSA-N 2 1 349.563 3.458 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1 ZINC001085389700 1358486487 /nfs/dbraw/zinc/48/64/87/1358486487.db2.gz RZNIMTZDFSCWNP-AQNXPRMDSA-N 2 1 349.563 3.458 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1=CCCCC1 ZINC001085593831 1358620319 /nfs/dbraw/zinc/62/03/19/1358620319.db2.gz SGEIXBZAYCSNFN-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001085593831 1358620322 /nfs/dbraw/zinc/62/03/22/1358620322.db2.gz SGEIXBZAYCSNFN-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001085593831 1358620323 /nfs/dbraw/zinc/62/03/23/1358620323.db2.gz SGEIXBZAYCSNFN-UXHICEINSA-N 2 1 347.547 3.282 20 0 EGADMP CC1CC(C[N@@H+]2CC[C@@H]2CN(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001085625486 1358645162 /nfs/dbraw/zinc/64/51/62/1358645162.db2.gz QQQVBVYRKWEXBF-VMBOVVBDSA-N 2 1 349.544 3.002 20 0 EGADMP CC1CC(C[N@H+]2CC[C@@H]2CN(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001085625486 1358645167 /nfs/dbraw/zinc/64/51/67/1358645167.db2.gz QQQVBVYRKWEXBF-VMBOVVBDSA-N 2 1 349.544 3.002 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC2CCCCC2)C1 ZINC001085779338 1358754058 /nfs/dbraw/zinc/75/40/58/1358754058.db2.gz SQEDWWADHCPVBI-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CCCCC2)C1 ZINC001085779338 1358754062 /nfs/dbraw/zinc/75/40/62/1358754062.db2.gz SQEDWWADHCPVBI-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CCCCC2)C1 ZINC001085779338 1358754067 /nfs/dbraw/zinc/75/40/67/1358754067.db2.gz SQEDWWADHCPVBI-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCC1 ZINC001085918645 1358878444 /nfs/dbraw/zinc/87/84/44/1358878444.db2.gz JKJAHVSKUBXHCD-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCC1 ZINC001085918645 1358878449 /nfs/dbraw/zinc/87/84/49/1358878449.db2.gz JKJAHVSKUBXHCD-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCC1 ZINC001085918645 1358878455 /nfs/dbraw/zinc/87/84/55/1358878455.db2.gz JKJAHVSKUBXHCD-PMACEKPBSA-N 2 1 349.563 3.364 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001086102478 1358997873 /nfs/dbraw/zinc/99/78/73/1358997873.db2.gz YLITVCQSWXQZQG-XEYPJELSSA-N 2 1 343.515 3.106 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001086413379 1359090969 /nfs/dbraw/zinc/09/09/69/1359090969.db2.gz FVOFFXBPHAVIEK-UFYCRDLUSA-N 2 1 347.547 3.092 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001086558707 1359145139 /nfs/dbraw/zinc/14/51/39/1359145139.db2.gz LEOLMMWXHQADBP-PWKSQPCKSA-N 2 1 349.563 3.172 20 0 EGADMP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941120 1359263251 /nfs/dbraw/zinc/26/32/51/1359263251.db2.gz JUJNXERVAUGCAL-SFHVURJKSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001087212537 1359322932 /nfs/dbraw/zinc/32/29/32/1359322932.db2.gz GBNFRYQKILOOAN-HBFSDRIKSA-N 2 1 347.547 3.188 20 0 EGADMP C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001087236210 1359328244 /nfs/dbraw/zinc/32/82/44/1359328244.db2.gz MJEXCHBOFJFFOT-HOJAQTOUSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)(C)CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCCC1 ZINC001087318444 1359410113 /nfs/dbraw/zinc/41/01/13/1359410113.db2.gz XVFHNZDUDPIAAX-NZSAHSFTSA-N 2 1 349.563 3.124 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@H+]1CC1CCCC1 ZINC001087567469 1359534399 /nfs/dbraw/zinc/53/43/99/1359534399.db2.gz QPKPGFWLIRRCAW-IPMKNSEASA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CC1CCCC1 ZINC001087567469 1359534401 /nfs/dbraw/zinc/53/44/01/1359534401.db2.gz QPKPGFWLIRRCAW-IPMKNSEASA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC[NH+]1CC1CCCC1 ZINC001087567469 1359534404 /nfs/dbraw/zinc/53/44/04/1359534404.db2.gz QPKPGFWLIRRCAW-IPMKNSEASA-N 2 1 335.536 3.019 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1CC ZINC001087572345 1359537281 /nfs/dbraw/zinc/53/72/81/1359537281.db2.gz MZYHGUUSLDWPKI-FGTMMUONSA-N 2 1 337.552 3.266 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1CC ZINC001087593816 1359547561 /nfs/dbraw/zinc/54/75/61/1359547561.db2.gz XFCYMPXAIJMULT-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1CC ZINC001087593816 1359547565 /nfs/dbraw/zinc/54/75/65/1359547565.db2.gz XFCYMPXAIJMULT-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1CC ZINC001087593816 1359547567 /nfs/dbraw/zinc/54/75/67/1359547567.db2.gz XFCYMPXAIJMULT-XUVXKRRUSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccsc2)[C@@H]1CC ZINC001087593732 1359547718 /nfs/dbraw/zinc/54/77/18/1359547718.db2.gz UBPBYYYXYHBPSG-KSZLIROESA-N 2 1 349.544 3.092 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccsc2)[C@@H]1CC ZINC001087593732 1359547721 /nfs/dbraw/zinc/54/77/21/1359547721.db2.gz UBPBYYYXYHBPSG-KSZLIROESA-N 2 1 349.544 3.092 20 0 EGADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)[C@@H]1CC ZINC001087593732 1359547724 /nfs/dbraw/zinc/54/77/24/1359547724.db2.gz UBPBYYYXYHBPSG-KSZLIROESA-N 2 1 349.544 3.092 20 0 EGADMP CC[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1CC=C(C)C ZINC001087838305 1359672499 /nfs/dbraw/zinc/67/24/99/1359672499.db2.gz ALNGSZSMIDWJRE-VQTJNVASSA-N 2 1 343.515 3.297 20 0 EGADMP CC[C@H](F)C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001087839625 1359673514 /nfs/dbraw/zinc/67/35/14/1359673514.db2.gz LQHQPEKFGOTPEW-GBESFXJTSA-N 2 1 349.494 3.079 20 0 EGADMP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211469 1359796690 /nfs/dbraw/zinc/79/66/90/1359796690.db2.gz LTHNBIMDURJVQY-UXHICEINSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001088327196 1359831693 /nfs/dbraw/zinc/83/16/93/1359831693.db2.gz HSIZVYKUEZEESY-PKOBYXMFSA-N 2 1 335.536 3.163 20 0 EGADMP C[N@H+]1CC[C@H](CC(=O)N2CCCCC[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC001088414176 1359884991 /nfs/dbraw/zinc/88/49/91/1359884991.db2.gz YYTMSXAZLNTIBK-WOJBJXKFSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC3CCC(C)(C)CC3)[C@@H]2C)CC[N@H+]1C ZINC001088578062 1359978329 /nfs/dbraw/zinc/97/83/29/1359978329.db2.gz DOFHZNUNULDSKY-RWQQGDIJSA-N 2 1 349.563 3.122 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC3CCC(C)(C)CC3)[C@@H]2C)CC[NH+]1C ZINC001088578062 1359978333 /nfs/dbraw/zinc/97/83/33/1359978333.db2.gz DOFHZNUNULDSKY-RWQQGDIJSA-N 2 1 349.563 3.122 20 0 EGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC3CCC(C)(C)CC3)[C@@H]2C)CC[NH+]1C ZINC001088578062 1359978337 /nfs/dbraw/zinc/97/83/37/1359978337.db2.gz DOFHZNUNULDSKY-RWQQGDIJSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1C ZINC001088622266 1359994072 /nfs/dbraw/zinc/99/40/72/1359994072.db2.gz OHFJSBGUFWQBCN-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H]1C ZINC001088622266 1359994079 /nfs/dbraw/zinc/99/40/79/1359994079.db2.gz OHFJSBGUFWQBCN-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)[C@@H]1C ZINC001088622266 1359994081 /nfs/dbraw/zinc/99/40/81/1359994081.db2.gz OHFJSBGUFWQBCN-HOJAQTOUSA-N 2 1 349.563 3.409 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CCCC1CCCC1 ZINC001088667075 1360007598 /nfs/dbraw/zinc/00/75/98/1360007598.db2.gz WWRKKVKKKJTNCX-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CCCC1CCCC1 ZINC001088667075 1360007600 /nfs/dbraw/zinc/00/76/00/1360007600.db2.gz WWRKKVKKKJTNCX-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CCCC1CCCC1 ZINC001088667075 1360007605 /nfs/dbraw/zinc/00/76/05/1360007605.db2.gz WWRKKVKKKJTNCX-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CCCC1CCCC1 ZINC001088667075 1360007611 /nfs/dbraw/zinc/00/76/11/1360007611.db2.gz WWRKKVKKKJTNCX-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CCCC1CCCC1 ZINC001088702763 1360016961 /nfs/dbraw/zinc/01/69/61/1360016961.db2.gz IBMJVCKUDWZSFK-MJGOQNOKSA-N 2 1 347.547 3.164 20 0 EGADMP CC(C)C[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCCCC1 ZINC001323721441 1387431127 /nfs/dbraw/zinc/43/11/27/1387431127.db2.gz ICOXWXAJIWYMHG-LJQANCHMSA-N 2 1 339.568 3.370 20 0 EGADMP CCC[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)C1CCCCCC1 ZINC001323723382 1387433957 /nfs/dbraw/zinc/43/39/57/1387433957.db2.gz YOGSOTYIVMKRJS-UHFFFAOYSA-N 2 1 337.552 3.413 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2CCCC2)[C@@H]1C ZINC001089060948 1360152524 /nfs/dbraw/zinc/15/25/24/1360152524.db2.gz PAPKUIWKRSVXLP-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1C ZINC001089060948 1360152526 /nfs/dbraw/zinc/15/25/26/1360152526.db2.gz PAPKUIWKRSVXLP-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1C ZINC001089060948 1360152531 /nfs/dbraw/zinc/15/25/31/1360152531.db2.gz PAPKUIWKRSVXLP-NEWSRXKRSA-N 2 1 335.536 3.020 20 0 EGADMP CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)[C@H](C)c1ccccc1)[NH+](C)C ZINC001089192083 1360241443 /nfs/dbraw/zinc/24/14/43/1360241443.db2.gz OWMYZNLLGLFEHF-YZGWKJHDSA-N 2 1 345.531 3.401 20 0 EGADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383401 1360385531 /nfs/dbraw/zinc/38/55/31/1360385531.db2.gz YCFANCNTTFZFBA-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089383401 1360385534 /nfs/dbraw/zinc/38/55/34/1360385534.db2.gz YCFANCNTTFZFBA-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089383401 1360385538 /nfs/dbraw/zinc/38/55/38/1360385538.db2.gz YCFANCNTTFZFBA-QZTJIDSGSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089406694 1360404855 /nfs/dbraw/zinc/40/48/55/1360404855.db2.gz QRJWLRHWJCXKHR-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089406694 1360404856 /nfs/dbraw/zinc/40/48/56/1360404856.db2.gz QRJWLRHWJCXKHR-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089406694 1360404857 /nfs/dbraw/zinc/40/48/57/1360404857.db2.gz QRJWLRHWJCXKHR-FUHWJXTLSA-N 2 1 335.536 3.020 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C(C)C)CC(C)(C)C1 ZINC001089428567 1360420450 /nfs/dbraw/zinc/42/04/50/1360420450.db2.gz ZGQZDYAUXZSVIV-ROUUACIJSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C(C)C)CC(C)(C)C1 ZINC001089428567 1360420452 /nfs/dbraw/zinc/42/04/52/1360420452.db2.gz ZGQZDYAUXZSVIV-ROUUACIJSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C(C)C)CC(C)(C)C1 ZINC001089428567 1360420455 /nfs/dbraw/zinc/42/04/55/1360420455.db2.gz ZGQZDYAUXZSVIV-ROUUACIJSA-N 2 1 337.552 3.122 20 0 EGADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493624 1360470692 /nfs/dbraw/zinc/47/06/92/1360470692.db2.gz YLVYDTGUVWTDTP-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493624 1360470695 /nfs/dbraw/zinc/47/06/95/1360470695.db2.gz YLVYDTGUVWTDTP-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493624 1360470697 /nfs/dbraw/zinc/47/06/97/1360470697.db2.gz YLVYDTGUVWTDTP-MSOLQXFVSA-N 2 1 337.552 3.124 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C(C)C)CC(C)(C)C1 ZINC001089504860 1360477775 /nfs/dbraw/zinc/47/77/75/1360477775.db2.gz DHWOLRMJMMAYNU-INIZCTEOSA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C(C)C)CC(C)(C)C1 ZINC001089504860 1360477776 /nfs/dbraw/zinc/47/77/76/1360477776.db2.gz DHWOLRMJMMAYNU-INIZCTEOSA-N 2 1 334.508 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC1CC1 ZINC001089639162 1360552582 /nfs/dbraw/zinc/55/25/82/1360552582.db2.gz OYBQBFNEIOGXBW-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001089639162 1360552584 /nfs/dbraw/zinc/55/25/84/1360552584.db2.gz OYBQBFNEIOGXBW-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC1CC1 ZINC001089639162 1360552587 /nfs/dbraw/zinc/55/25/87/1360552587.db2.gz OYBQBFNEIOGXBW-MOPGFXCFSA-N 2 1 349.563 3.266 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC(C)(C)C[NH+]2CC2CCCC2)CC[N@H+]1C ZINC001089643056 1360556121 /nfs/dbraw/zinc/55/61/21/1360556121.db2.gz RJSLNOGXSPVHEK-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC2CCCC2)CC[NH+]1C ZINC001089643056 1360556123 /nfs/dbraw/zinc/55/61/23/1360556123.db2.gz RJSLNOGXSPVHEK-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC2CCCC2)CC[NH+]1C ZINC001089643056 1360556127 /nfs/dbraw/zinc/55/61/27/1360556127.db2.gz RJSLNOGXSPVHEK-BHIYHBOVSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC(C)C ZINC001089647057 1360560398 /nfs/dbraw/zinc/56/03/98/1360560398.db2.gz RTCYWPMFYRZXJZ-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(C)C ZINC001089647057 1360560401 /nfs/dbraw/zinc/56/04/01/1360560401.db2.gz RTCYWPMFYRZXJZ-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(C)C ZINC001089647057 1360560403 /nfs/dbraw/zinc/56/04/03/1360560403.db2.gz RTCYWPMFYRZXJZ-ZWKOTPCHSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CC2)C1 ZINC001089683772 1360589911 /nfs/dbraw/zinc/58/99/11/1360589911.db2.gz FXAQGRIFZIXHNJ-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC2CC2)C1 ZINC001089683772 1360589913 /nfs/dbraw/zinc/58/99/13/1360589913.db2.gz FXAQGRIFZIXHNJ-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC2CC2)C1 ZINC001089683772 1360589914 /nfs/dbraw/zinc/58/99/14/1360589914.db2.gz FXAQGRIFZIXHNJ-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001089707538 1360611353 /nfs/dbraw/zinc/61/13/53/1360611353.db2.gz MNMBWCNUICOVHG-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001089707538 1360611354 /nfs/dbraw/zinc/61/13/54/1360611354.db2.gz MNMBWCNUICOVHG-RBUKOAKNSA-N 2 1 349.563 3.266 20 0 EGADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089717788 1360619327 /nfs/dbraw/zinc/61/93/27/1360619327.db2.gz DVIZTBVEAYQZNC-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CC2CCCCC2)C1 ZINC001089732098 1360635776 /nfs/dbraw/zinc/63/57/76/1360635776.db2.gz MCHZOYGUYIUGJU-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC2CCCCC2)C1 ZINC001089732098 1360635779 /nfs/dbraw/zinc/63/57/79/1360635779.db2.gz MCHZOYGUYIUGJU-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC2CCCCC2)C1 ZINC001089732098 1360635781 /nfs/dbraw/zinc/63/57/81/1360635781.db2.gz MCHZOYGUYIUGJU-OALUTQOASA-N 2 1 349.563 3.125 20 0 EGADMP C[C@H]1C[C@@H](C(=O)NCC2CC([NH2+]CC3CCCCCC3)C2)CC[N@H+]1C ZINC001091202033 1361005908 /nfs/dbraw/zinc/00/59/08/1361005908.db2.gz MYKCRHMGIHYXQG-VHBXLISGSA-N 2 1 349.563 3.172 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001184578079 1387497542 /nfs/dbraw/zinc/49/75/42/1387497542.db2.gz QPNMLEDBQSRQQV-MGBKSAOESA-N 2 1 349.563 3.291 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091721073 1361191213 /nfs/dbraw/zinc/19/12/13/1361191213.db2.gz PDARLLOBGMGISY-OPYAIIAOSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091721073 1361191216 /nfs/dbraw/zinc/19/12/16/1361191216.db2.gz PDARLLOBGMGISY-OPYAIIAOSA-N 2 1 349.563 3.077 20 0 EGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001091721073 1361191218 /nfs/dbraw/zinc/19/12/18/1361191218.db2.gz PDARLLOBGMGISY-OPYAIIAOSA-N 2 1 349.563 3.077 20 0 EGADMP CC(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907469 1361484201 /nfs/dbraw/zinc/48/42/01/1361484201.db2.gz OBRFTEBULHBWGB-GGPKGHCWSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907469 1361484203 /nfs/dbraw/zinc/48/42/03/1361484203.db2.gz OBRFTEBULHBWGB-GGPKGHCWSA-N 2 1 349.563 3.124 20 0 EGADMP CC(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907469 1361484205 /nfs/dbraw/zinc/48/42/05/1361484205.db2.gz OBRFTEBULHBWGB-GGPKGHCWSA-N 2 1 349.563 3.124 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001093806301 1361699871 /nfs/dbraw/zinc/69/98/71/1361699871.db2.gz VKBOAKFFXBJGRO-RLLQIKCJSA-N 2 1 347.547 3.045 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](C)C1 ZINC001093822446 1361701723 /nfs/dbraw/zinc/70/17/23/1361701723.db2.gz RBMOUFKMBMBONJ-RLLQIKCJSA-N 2 1 349.563 3.124 20 0 EGADMP CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)CCC[C@@H]12 ZINC001094416516 1361791607 /nfs/dbraw/zinc/79/16/07/1361791607.db2.gz XFXOGTVUKRDBAY-YFVAEKQCSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CCC[C@@H]12 ZINC001094416516 1361791613 /nfs/dbraw/zinc/79/16/13/1361791613.db2.gz XFXOGTVUKRDBAY-YFVAEKQCSA-N 2 1 347.547 3.022 20 0 EGADMP CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CCC[C@@H]12 ZINC001094416516 1361791615 /nfs/dbraw/zinc/79/16/15/1361791615.db2.gz XFXOGTVUKRDBAY-YFVAEKQCSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001094950571 1361958089 /nfs/dbraw/zinc/95/80/89/1361958089.db2.gz LAWRLKMMJSOMNO-BQFCYCMXSA-N 2 1 335.536 3.017 20 0 EGADMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCC(C)(C)C)C1 ZINC001095530482 1362162447 /nfs/dbraw/zinc/16/24/47/1362162447.db2.gz OBXIIMBDTBEAJD-RDGPPVDQSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC(C)(C)C)C1 ZINC001095530482 1362162450 /nfs/dbraw/zinc/16/24/50/1362162450.db2.gz OBXIIMBDTBEAJD-RDGPPVDQSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(C)(C)C)C1 ZINC001095530482 1362162451 /nfs/dbraw/zinc/16/24/51/1362162451.db2.gz OBXIIMBDTBEAJD-RDGPPVDQSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096605500 1362594016 /nfs/dbraw/zinc/59/40/16/1362594016.db2.gz RRAYMAOUARGKBZ-HOJAQTOUSA-N 2 1 341.499 3.050 20 0 EGADMP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001097074631 1362834375 /nfs/dbraw/zinc/83/43/75/1362834375.db2.gz ICLXOJONDCANJF-KURKYZTESA-N 2 1 349.563 3.409 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NC2(C)CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001324334117 1387594956 /nfs/dbraw/zinc/59/49/56/1387594956.db2.gz KAQLCJNBKXPSIV-KRWDZBQOSA-N 2 1 337.552 3.125 20 0 EGADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001097343808 1362943693 /nfs/dbraw/zinc/94/36/93/1362943693.db2.gz ZLDHUUUOZHZTCN-YSTOQKLRSA-N 2 1 345.531 3.083 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001097343808 1362943696 /nfs/dbraw/zinc/94/36/96/1362943696.db2.gz ZLDHUUUOZHZTCN-YSTOQKLRSA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1=CCCCC1 ZINC001097343808 1362943699 /nfs/dbraw/zinc/94/36/99/1362943699.db2.gz ZLDHUUUOZHZTCN-YSTOQKLRSA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1=CCCCC1 ZINC001097343808 1362943706 /nfs/dbraw/zinc/94/37/06/1362943706.db2.gz ZLDHUUUOZHZTCN-YSTOQKLRSA-N 2 1 345.531 3.083 20 0 EGADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)(C)C ZINC001097405619 1362975300 /nfs/dbraw/zinc/97/53/00/1362975300.db2.gz OLYVFUJPLGZARC-YRXWBPOGSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)(C)C ZINC001097405619 1362975302 /nfs/dbraw/zinc/97/53/02/1362975302.db2.gz OLYVFUJPLGZARC-YRXWBPOGSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001097405619 1362975307 /nfs/dbraw/zinc/97/53/07/1362975307.db2.gz OLYVFUJPLGZARC-YRXWBPOGSA-N 2 1 349.563 3.265 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001097550654 1363054759 /nfs/dbraw/zinc/05/47/59/1363054759.db2.gz ASCAJMZACSUTFX-QRQLOZEOSA-N 2 1 340.471 3.106 20 0 EGADMP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097580095 1363060317 /nfs/dbraw/zinc/06/03/17/1363060317.db2.gz RDVGNQQDAYWFCJ-AKHDSKFASA-N 2 1 347.547 3.019 20 0 EGADMP CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097705568 1363105610 /nfs/dbraw/zinc/10/56/10/1363105610.db2.gz QWPYMNQZSDQTSI-ZRNYENFQSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001097705568 1363105611 /nfs/dbraw/zinc/10/56/11/1363105611.db2.gz QWPYMNQZSDQTSI-ZRNYENFQSA-N 2 1 347.547 3.161 20 0 EGADMP CC(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001097705568 1363105613 /nfs/dbraw/zinc/10/56/13/1363105613.db2.gz QWPYMNQZSDQTSI-ZRNYENFQSA-N 2 1 347.547 3.161 20 0 EGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)cc1 ZINC001324387502 1387617017 /nfs/dbraw/zinc/61/70/17/1387617017.db2.gz BDSUQULBGABQMG-HSZRJFAPSA-N 2 1 330.497 3.118 20 0 EGADMP CC(C)(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001185120502 1387622835 /nfs/dbraw/zinc/62/28/35/1387622835.db2.gz RDAYWQNMMMVDHW-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CCCCC1)C2 ZINC001098761458 1363460492 /nfs/dbraw/zinc/46/04/92/1363460492.db2.gz RFZKSKYTXHVSHV-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCC1CCCCC1)C2 ZINC001098761458 1363460494 /nfs/dbraw/zinc/46/04/94/1363460494.db2.gz RFZKSKYTXHVSHV-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CCC1CCCCC1)C2 ZINC001098761458 1363460496 /nfs/dbraw/zinc/46/04/96/1363460496.db2.gz RFZKSKYTXHVSHV-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1CCCCC1)C2 ZINC001098761458 1363460499 /nfs/dbraw/zinc/46/04/99/1363460499.db2.gz RFZKSKYTXHVSHV-ZJOUEHCJSA-N 2 1 347.547 3.022 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC1CCCC1)C2 ZINC001098835297 1363487696 /nfs/dbraw/zinc/48/76/96/1363487696.db2.gz NZUZEOJAFBJRGP-ZVDOUQERSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCCC1)C2 ZINC001098835297 1363487698 /nfs/dbraw/zinc/48/76/98/1363487698.db2.gz NZUZEOJAFBJRGP-ZVDOUQERSA-N 2 1 347.547 3.020 20 0 EGADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCC1)C2 ZINC001098835297 1363487700 /nfs/dbraw/zinc/48/77/00/1363487700.db2.gz NZUZEOJAFBJRGP-ZVDOUQERSA-N 2 1 347.547 3.020 20 0 EGADMP CCCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001098976244 1363551254 /nfs/dbraw/zinc/55/12/54/1363551254.db2.gz RMEIEXDBWUANDP-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001098976244 1363551259 /nfs/dbraw/zinc/55/12/59/1363551259.db2.gz RMEIEXDBWUANDP-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001098976244 1363551261 /nfs/dbraw/zinc/55/12/61/1363551261.db2.gz RMEIEXDBWUANDP-QZTJIDSGSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099116353 1363632337 /nfs/dbraw/zinc/63/23/37/1363632337.db2.gz QYDBWTDQHYYARH-ROUUACIJSA-N 2 1 339.568 3.370 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1=CCCCC1)[NH+](C)C ZINC001099126397 1363638658 /nfs/dbraw/zinc/63/86/58/1363638658.db2.gz RVPTWUPQICFVRA-RBUKOAKNSA-N 2 1 349.563 3.434 20 0 EGADMP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001099129883 1363641897 /nfs/dbraw/zinc/64/18/97/1363641897.db2.gz CTXMIKULILHTEP-GOSISDBHSA-N 2 1 349.563 3.412 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@H+](CC1CCCCCC1)C2 ZINC001099162879 1363664831 /nfs/dbraw/zinc/66/48/31/1363664831.db2.gz ZEXAYJUGQZJAPF-FPOVZHCZSA-N 2 1 347.547 3.023 20 0 EGADMP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCCCC1)C2 ZINC001099162879 1363664834 /nfs/dbraw/zinc/66/48/34/1363664834.db2.gz ZEXAYJUGQZJAPF-FPOVZHCZSA-N 2 1 347.547 3.023 20 0 EGADMP C[NH+](C)CCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccccc1 ZINC001099198830 1363687725 /nfs/dbraw/zinc/68/77/25/1363687725.db2.gz FZARVOZVOKHEOE-LJQANCHMSA-N 2 1 345.531 3.135 20 0 EGADMP CCCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099215770 1363696687 /nfs/dbraw/zinc/69/66/87/1363696687.db2.gz ZLPFCXUTAMYLTM-QGZVFWFLSA-N 2 1 325.541 3.125 20 0 EGADMP CC1(C)CC[N@@H+](CC(=O)NC[C@@H]2CCC(C)(C)C[NH+]2CCC2CC2)C1 ZINC001099239649 1363708268 /nfs/dbraw/zinc/70/82/68/1363708268.db2.gz IHNXHIQSNREYDZ-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC[NH+](CC(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CCC2CC2)C1 ZINC001099239649 1363708271 /nfs/dbraw/zinc/70/82/71/1363708271.db2.gz IHNXHIQSNREYDZ-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CC1(C)CC[NH+](CC(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CCC2CC2)C1 ZINC001099239649 1363708274 /nfs/dbraw/zinc/70/82/74/1363708274.db2.gz IHNXHIQSNREYDZ-SFHVURJKSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099240561 1363709643 /nfs/dbraw/zinc/70/96/43/1363709643.db2.gz SJWWUYFHWVFFSB-ROUUACIJSA-N 2 1 339.568 3.370 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(C)C ZINC001099270975 1363725593 /nfs/dbraw/zinc/72/55/93/1363725593.db2.gz RKVQJRNOEZLFKH-GOSISDBHSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(C)C ZINC001099270975 1363725595 /nfs/dbraw/zinc/72/55/95/1363725595.db2.gz RKVQJRNOEZLFKH-GOSISDBHSA-N 2 1 348.535 3.235 20 0 EGADMP CCC(CC)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](CC)CC ZINC001099275451 1363726737 /nfs/dbraw/zinc/72/67/37/1363726737.db2.gz DWGFXOLJXQROFI-GOSISDBHSA-N 2 1 339.568 3.371 20 0 EGADMP C[NH+](C)CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCC1 ZINC001099309934 1363742211 /nfs/dbraw/zinc/74/22/11/1363742211.db2.gz HBNPLNMEXFZSOT-GOSISDBHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1cncn1C ZINC001099324348 1363751372 /nfs/dbraw/zinc/75/13/72/1363751372.db2.gz KMWRNWQWMJOOBU-SFHVURJKSA-N 2 1 348.535 3.006 20 0 EGADMP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](CC)CC)C1 ZINC001099535513 1363837530 /nfs/dbraw/zinc/83/75/30/1363837530.db2.gz GXTCGEPBUYUSPB-MUGJNUQGSA-N 2 1 349.563 3.077 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001100319328 1364079165 /nfs/dbraw/zinc/07/91/65/1364079165.db2.gz HRKCZMNRRDNQEE-SBDAGSLNSA-N 2 1 335.536 3.090 20 0 EGADMP CC(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001100333179 1364082526 /nfs/dbraw/zinc/08/25/26/1364082526.db2.gz ZBHZKHGZTLLRMY-XBMUEBEBSA-N 2 1 349.563 3.172 20 0 EGADMP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001100383301 1364097380 /nfs/dbraw/zinc/09/73/80/1364097380.db2.gz UREKSUOSIMWAAQ-XIMCWOHTSA-N 2 1 335.536 3.092 20 0 EGADMP Cc1cccc([C@H](C)[NH2+]C2CC(CNC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001100411679 1364105598 /nfs/dbraw/zinc/10/55/98/1364105598.db2.gz MUOBSCNYMFZWJQ-MUYFXNHWSA-N 2 1 343.515 3.025 20 0 EGADMP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001100471261 1364126571 /nfs/dbraw/zinc/12/65/71/1364126571.db2.gz WLVKZRDZQQFIHV-JSEXARSYSA-N 2 1 349.563 3.338 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2CC([NH2+]CCCC(C)C)C2)C1 ZINC001100599036 1364182996 /nfs/dbraw/zinc/18/29/96/1364182996.db2.gz KYLFNSGKQVWQHP-JLAWEPINSA-N 2 1 337.552 3.029 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2CC([NH2+]CCC3CCCCCC3)C2)C1 ZINC001100678782 1364214648 /nfs/dbraw/zinc/21/46/48/1364214648.db2.gz WQBYPNOASKTKAD-QHGAOEGBSA-N 2 1 349.563 3.173 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCCC)[C@H](C)C1 ZINC001185316006 1387680268 /nfs/dbraw/zinc/68/02/68/1387680268.db2.gz BEDMDYJAHMWGIA-MOPGFXCFSA-N 2 1 339.568 3.373 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101362985 1364527921 /nfs/dbraw/zinc/52/79/21/1364527921.db2.gz LUORZIBBWLHDBI-PQUCXPECSA-N 2 1 349.563 3.243 20 0 EGADMP CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001101574757 1364628958 /nfs/dbraw/zinc/62/89/58/1364628958.db2.gz BTHFRVDLACDAIS-UHFFFAOYSA-N 2 1 339.568 3.229 20 0 EGADMP CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001101580104 1364633094 /nfs/dbraw/zinc/63/30/94/1364633094.db2.gz JIEZWMYOYBCTNQ-SFHVURJKSA-N 2 1 337.552 3.124 20 0 EGADMP CCCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001101591346 1364642178 /nfs/dbraw/zinc/64/21/78/1364642178.db2.gz UNYGVNXBRMXHCR-UHFFFAOYSA-N 2 1 339.568 3.373 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC(C(C)(C)C[NH2+]CC(C)C)CC1 ZINC001101591428 1364642236 /nfs/dbraw/zinc/64/22/36/1364642236.db2.gz ZOXLJHWJVISYCP-UHFFFAOYSA-N 2 1 339.568 3.229 20 0 EGADMP Cc1cccc([C@@H](C)[N@@H+]2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)c1 ZINC001102294295 1364988063 /nfs/dbraw/zinc/98/80/63/1364988063.db2.gz RNMAXEATQFDPFN-QWFCFKBJSA-N 2 1 345.531 3.082 20 0 EGADMP CCC(CC)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357736 1365020932 /nfs/dbraw/zinc/02/09/32/1365020932.db2.gz HOVVUILJBRRMFV-BHIYHBOVSA-N 2 1 339.568 3.227 20 0 EGADMP CCCCCC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419909 1365046294 /nfs/dbraw/zinc/04/62/94/1365046294.db2.gz ZPWWULRSIQKIEZ-QZTJIDSGSA-N 2 1 348.535 3.271 20 0 EGADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419909 1365046298 /nfs/dbraw/zinc/04/62/98/1365046298.db2.gz ZPWWULRSIQKIEZ-QZTJIDSGSA-N 2 1 348.535 3.271 20 0 EGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001324647132 1387717117 /nfs/dbraw/zinc/71/71/17/1387717117.db2.gz LUPOWIZCILXNEC-DYESRHJHSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001324647132 1387717118 /nfs/dbraw/zinc/71/71/18/1387717118.db2.gz LUPOWIZCILXNEC-DYESRHJHSA-N 2 1 345.531 3.306 20 0 EGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001324647132 1387717119 /nfs/dbraw/zinc/71/71/19/1387717119.db2.gz LUPOWIZCILXNEC-DYESRHJHSA-N 2 1 345.531 3.306 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001185446464 1387718932 /nfs/dbraw/zinc/71/89/32/1387718932.db2.gz MKXGVFZPCDKIRB-VANUVFSVSA-N 2 1 337.552 3.149 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(CC)CC)[C@H](C)C1 ZINC001185547457 1387744826 /nfs/dbraw/zinc/74/48/26/1387744826.db2.gz HKJSKLXJXIDIQZ-MJGOQNOKSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)[C@@H](C)C1 ZINC001185548153 1387744901 /nfs/dbraw/zinc/74/49/01/1387744901.db2.gz KJFJVBIKJLURMW-AZUAARDMSA-N 2 1 349.563 3.293 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC2CC2)C[C@H]1C ZINC001103631594 1365689858 /nfs/dbraw/zinc/68/98/58/1365689858.db2.gz UYFSKISTZRKAHT-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC2CC2)C[C@H]1C ZINC001103631594 1365689860 /nfs/dbraw/zinc/68/98/60/1365689860.db2.gz UYFSKISTZRKAHT-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C ZINC001103631594 1365689862 /nfs/dbraw/zinc/68/98/62/1365689862.db2.gz UYFSKISTZRKAHT-RLLQIKCJSA-N 2 1 349.563 3.125 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CCC)C[C@H]1C ZINC001103631539 1365689875 /nfs/dbraw/zinc/68/98/75/1365689875.db2.gz SCTFCSPIROEVEB-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CCC)C[C@H]1C ZINC001103631539 1365689878 /nfs/dbraw/zinc/68/98/78/1365689878.db2.gz SCTFCSPIROEVEB-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CCC)C[C@H]1C ZINC001103631539 1365689879 /nfs/dbraw/zinc/68/98/79/1365689879.db2.gz SCTFCSPIROEVEB-GUDVDZBRSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CCCC(C)(C)C)C[C@H]1C ZINC001103756246 1365767093 /nfs/dbraw/zinc/76/70/93/1365767093.db2.gz YWCQXLQAGLLXLB-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001103756246 1365767094 /nfs/dbraw/zinc/76/70/94/1365767094.db2.gz YWCQXLQAGLLXLB-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001103756246 1365767096 /nfs/dbraw/zinc/76/70/96/1365767096.db2.gz YWCQXLQAGLLXLB-QZTJIDSGSA-N 2 1 339.568 3.227 20 0 EGADMP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104753932 1366158055 /nfs/dbraw/zinc/15/80/55/1366158055.db2.gz VQSZLOHHHNXHCN-AQNXPRMDSA-N 2 1 349.563 3.290 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001185764340 1387793220 /nfs/dbraw/zinc/79/32/20/1387793220.db2.gz YHEHGKJHVIRBCV-HKVOBHHDSA-N 2 1 337.552 3.147 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)c2ccccc2)C1 ZINC001104938684 1366231791 /nfs/dbraw/zinc/23/17/91/1366231791.db2.gz BKYUCRLLLLAFEX-QWFCFKBJSA-N 2 1 345.531 3.164 20 0 EGADMP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001105066960 1366304386 /nfs/dbraw/zinc/30/43/86/1366304386.db2.gz HKTHXLPCCKZQLT-JCHUFIKGSA-N 2 1 349.563 3.291 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@H]2[NH+](C(C)C)CC23CCC3)CC1 ZINC001105396625 1366445523 /nfs/dbraw/zinc/44/55/23/1366445523.db2.gz QMURSPMNQVLLSP-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@H]2[N@@H+](C(C)C)CC23CCC3)CC1 ZINC001105396625 1366445525 /nfs/dbraw/zinc/44/55/25/1366445525.db2.gz QMURSPMNQVLLSP-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@H]2[N@H+](C(C)C)CC23CCC3)CC1 ZINC001105396625 1366445528 /nfs/dbraw/zinc/44/55/28/1366445528.db2.gz QMURSPMNQVLLSP-HXUWFJFHSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([C@H]2[NH+](CCC)CC23CCC3)CC1 ZINC001105396907 1366446058 /nfs/dbraw/zinc/44/60/58/1366446058.db2.gz YRSNTDOCIBLHFF-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@H]2[N@H+](CCC)CC23CCC3)CC1 ZINC001105396907 1366446061 /nfs/dbraw/zinc/44/60/61/1366446061.db2.gz YRSNTDOCIBLHFF-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC([C@H]2[N@@H+](CCC)CC23CCC3)CC1 ZINC001105396907 1366446062 /nfs/dbraw/zinc/44/60/62/1366446062.db2.gz YRSNTDOCIBLHFF-HXUWFJFHSA-N 2 1 349.563 3.221 20 0 EGADMP CCCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001105517817 1366504785 /nfs/dbraw/zinc/50/47/85/1366504785.db2.gz KIEURNBPEQWQMR-RTBURBONSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001105541627 1366520033 /nfs/dbraw/zinc/52/00/33/1366520033.db2.gz GJPHOZLSULNFDG-SFHVURJKSA-N 2 1 335.536 3.020 20 0 EGADMP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001106210975 1366624907 /nfs/dbraw/zinc/62/49/07/1366624907.db2.gz LIBPTGPEBWIXBW-DSTKZSRVSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249589 1366633623 /nfs/dbraw/zinc/63/36/23/1366633623.db2.gz LLPHBQXANNJPHK-QWFCFKBJSA-N 2 1 349.563 3.124 20 0 EGADMP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001106905119 1366829148 /nfs/dbraw/zinc/82/91/48/1366829148.db2.gz BJDXINIRDJVJTP-FAPWYTRCSA-N 2 1 337.552 3.149 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCC(C)(C)C)CC2 ZINC001107329417 1366930231 /nfs/dbraw/zinc/93/02/31/1366930231.db2.gz TVPLKJKXMOEWMN-WAOWUJCRSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCC(C)(C)C)CC2 ZINC001107329417 1366930234 /nfs/dbraw/zinc/93/02/34/1366930234.db2.gz TVPLKJKXMOEWMN-WAOWUJCRSA-N 2 1 349.563 3.268 20 0 EGADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC(C)(C)C)CC2 ZINC001107329417 1366930236 /nfs/dbraw/zinc/93/02/36/1366930236.db2.gz TVPLKJKXMOEWMN-WAOWUJCRSA-N 2 1 349.563 3.268 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[NH+](CC1CCCC1)CC2 ZINC001107454398 1366968788 /nfs/dbraw/zinc/96/87/88/1366968788.db2.gz FPVJHLNUKDDLAL-WIYYLYMNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2 ZINC001107454398 1366968790 /nfs/dbraw/zinc/96/87/90/1366968790.db2.gz FPVJHLNUKDDLAL-WIYYLYMNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2 ZINC001107454398 1366968793 /nfs/dbraw/zinc/96/87/93/1366968793.db2.gz FPVJHLNUKDDLAL-WIYYLYMNSA-N 2 1 349.563 3.268 20 0 EGADMP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2)[NH+](CC)CC ZINC001107544201 1367034745 /nfs/dbraw/zinc/03/47/45/1367034745.db2.gz RDTFPUNMJGJPPA-QKNQBKEWSA-N 2 1 349.563 3.268 20 0 EGADMP CCCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107586941 1367058540 /nfs/dbraw/zinc/05/85/40/1367058540.db2.gz FCCDVWSLUVVJEZ-TZIWHRDSSA-N 2 1 349.563 3.269 20 0 EGADMP O=C(CCC[NH+]1CCCC1)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2 ZINC001107643780 1367089537 /nfs/dbraw/zinc/08/95/37/1367089537.db2.gz STBRRBBZRFTJRB-TZIWHRDSSA-N 2 1 347.547 3.023 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646758 1367092120 /nfs/dbraw/zinc/09/21/20/1367092120.db2.gz UWHNKRKRQJGCGC-YKMDAGRBSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646758 1367092124 /nfs/dbraw/zinc/09/21/24/1367092124.db2.gz UWHNKRKRQJGCGC-YKMDAGRBSA-N 2 1 335.536 3.044 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646758 1367092130 /nfs/dbraw/zinc/09/21/30/1367092130.db2.gz UWHNKRKRQJGCGC-YKMDAGRBSA-N 2 1 335.536 3.044 20 0 EGADMP CC(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190174607 1367190339 /nfs/dbraw/zinc/19/03/39/1367190339.db2.gz GPVKEPXVAPCNEZ-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190174607 1367190343 /nfs/dbraw/zinc/19/03/43/1367190343.db2.gz GPVKEPXVAPCNEZ-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190174607 1367190348 /nfs/dbraw/zinc/19/03/48/1367190348.db2.gz GPVKEPXVAPCNEZ-AZUAARDMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001109555494 1367194839 /nfs/dbraw/zinc/19/48/39/1367194839.db2.gz SXNOHFBOCORTNK-FUMNGEBKSA-N 2 1 347.547 3.019 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCC(C)(C)C)CC[N@H+]1C ZINC001109643451 1367260627 /nfs/dbraw/zinc/26/06/27/1367260627.db2.gz IBIVVKPHGQBRLO-OYSTVDSJSA-N 2 1 349.563 3.265 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC(C)(C)C)CC[NH+]1C ZINC001109643451 1367260632 /nfs/dbraw/zinc/26/06/32/1367260632.db2.gz IBIVVKPHGQBRLO-OYSTVDSJSA-N 2 1 349.563 3.265 20 0 EGADMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC(C)(C)C)CC[NH+]1C ZINC001109643451 1367260637 /nfs/dbraw/zinc/26/06/37/1367260637.db2.gz IBIVVKPHGQBRLO-OYSTVDSJSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)C[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109719664 1367292234 /nfs/dbraw/zinc/29/22/34/1367292234.db2.gz JXALZQZIOQHFNW-RDGPPVDQSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001109719664 1367292237 /nfs/dbraw/zinc/29/22/37/1367292237.db2.gz JXALZQZIOQHFNW-RDGPPVDQSA-N 2 1 349.563 3.122 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001109719664 1367292241 /nfs/dbraw/zinc/29/22/41/1367292241.db2.gz JXALZQZIOQHFNW-RDGPPVDQSA-N 2 1 349.563 3.122 20 0 EGADMP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190653806 1367317696 /nfs/dbraw/zinc/31/76/96/1367317696.db2.gz GIKRDYOSWQLTAU-WIJVFFIESA-N 2 1 344.503 3.040 20 0 EGADMP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190653806 1367317700 /nfs/dbraw/zinc/31/77/00/1367317700.db2.gz GIKRDYOSWQLTAU-WIJVFFIESA-N 2 1 344.503 3.040 20 0 EGADMP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190655151 1367318839 /nfs/dbraw/zinc/31/88/39/1367318839.db2.gz OATPXGRFPTYURY-MOPGFXCFSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190655151 1367318844 /nfs/dbraw/zinc/31/88/44/1367318844.db2.gz OATPXGRFPTYURY-MOPGFXCFSA-N 2 1 337.552 3.362 20 0 EGADMP CCCCCC[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190655151 1367318847 /nfs/dbraw/zinc/31/88/47/1367318847.db2.gz OATPXGRFPTYURY-MOPGFXCFSA-N 2 1 337.552 3.362 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH+](C)CCC(C)(C)C)C1 ZINC001190656385 1367320371 /nfs/dbraw/zinc/32/03/71/1367320371.db2.gz STOQJVVLBVPUCF-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001190656385 1367320374 /nfs/dbraw/zinc/32/03/74/1367320374.db2.gz STOQJVVLBVPUCF-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001190656385 1367320379 /nfs/dbraw/zinc/32/03/79/1367320379.db2.gz STOQJVVLBVPUCF-ZWKOTPCHSA-N 2 1 337.552 3.218 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190744598 1367341325 /nfs/dbraw/zinc/34/13/25/1367341325.db2.gz SJXLOBIFDLATDE-LXORQPIJSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001190744598 1367341327 /nfs/dbraw/zinc/34/13/27/1367341327.db2.gz SJXLOBIFDLATDE-LXORQPIJSA-N 2 1 335.536 3.140 20 0 EGADMP CCC/C=C/CC[NH+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001190744598 1367341329 /nfs/dbraw/zinc/34/13/29/1367341329.db2.gz SJXLOBIFDLATDE-LXORQPIJSA-N 2 1 335.536 3.140 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@H](C)c2ccccc2F)C1 ZINC001190996473 1367398280 /nfs/dbraw/zinc/39/82/80/1367398280.db2.gz FTFBTGLCQSWVNS-HZPDHXFCSA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001190996473 1367398282 /nfs/dbraw/zinc/39/82/82/1367398282.db2.gz FTFBTGLCQSWVNS-HZPDHXFCSA-N 2 1 349.494 3.150 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2ccccc2F)C1 ZINC001190996473 1367398285 /nfs/dbraw/zinc/39/82/85/1367398285.db2.gz FTFBTGLCQSWVNS-HZPDHXFCSA-N 2 1 349.494 3.150 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)c1cccc(C)c1 ZINC001109934266 1367411745 /nfs/dbraw/zinc/41/17/45/1367411745.db2.gz XKKSAZYENAGHQP-LMCOJAPRSA-N 2 1 343.515 3.119 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1cccc(C)c1 ZINC001109934266 1367411748 /nfs/dbraw/zinc/41/17/48/1367411748.db2.gz XKKSAZYENAGHQP-LMCOJAPRSA-N 2 1 343.515 3.119 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1cccc(C)c1 ZINC001109934266 1367411751 /nfs/dbraw/zinc/41/17/51/1367411751.db2.gz XKKSAZYENAGHQP-LMCOJAPRSA-N 2 1 343.515 3.119 20 0 EGADMP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082512 1367420731 /nfs/dbraw/zinc/42/07/31/1367420731.db2.gz ZSAWUCGMVZEZLN-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191082512 1367420733 /nfs/dbraw/zinc/42/07/33/1367420733.db2.gz ZSAWUCGMVZEZLN-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191082512 1367420737 /nfs/dbraw/zinc/42/07/37/1367420737.db2.gz ZSAWUCGMVZEZLN-RTBURBONSA-N 2 1 337.552 3.076 20 0 EGADMP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001110111856 1367506839 /nfs/dbraw/zinc/50/68/39/1367506839.db2.gz XEDUYKLJURYILM-AABGKKOBSA-N 2 1 347.547 3.164 20 0 EGADMP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191506600 1367516689 /nfs/dbraw/zinc/51/66/89/1367516689.db2.gz ADJRWOCUYGJWPT-KPDZFXRVSA-N 2 1 347.547 3.140 20 0 EGADMP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191541730 1367524320 /nfs/dbraw/zinc/52/43/20/1367524320.db2.gz BLKHRPLDPHCQTF-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153600 1367527831 /nfs/dbraw/zinc/52/78/31/1367527831.db2.gz CBMRQERZOVOHPY-QYZOEREBSA-N 2 1 335.536 3.020 20 0 EGADMP C[NH+](C)C1(CC(=O)N2CC[C@@H]([N@@H+](C)CCC3CCCC3)C2)CCCC1 ZINC001191560346 1367527983 /nfs/dbraw/zinc/52/79/83/1367527983.db2.gz CYFXBCSLBYZCMN-LJQANCHMSA-N 2 1 349.563 3.364 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001110158695 1367530337 /nfs/dbraw/zinc/53/03/37/1367530337.db2.gz UKQVQUPLQXIACA-FTVQKVBOSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001110158695 1367530340 /nfs/dbraw/zinc/53/03/40/1367530340.db2.gz UKQVQUPLQXIACA-FTVQKVBOSA-N 2 1 347.547 3.329 20 0 EGADMP CCC/C=C/CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001110158695 1367530344 /nfs/dbraw/zinc/53/03/44/1367530344.db2.gz UKQVQUPLQXIACA-FTVQKVBOSA-N 2 1 347.547 3.329 20 0 EGADMP CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001108717426 1367553632 /nfs/dbraw/zinc/55/36/32/1367553632.db2.gz KGKQAWHNXVZEKW-BZSNNMDCSA-N 2 1 337.552 3.266 20 0 EGADMP CC(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191950006 1367647505 /nfs/dbraw/zinc/64/75/05/1367647505.db2.gz SEFOGZZNDSMZRT-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191950006 1367647533 /nfs/dbraw/zinc/64/75/33/1367647533.db2.gz SEFOGZZNDSMZRT-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP CC(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191950006 1367647537 /nfs/dbraw/zinc/64/75/37/1367647537.db2.gz SEFOGZZNDSMZRT-WOJBJXKFSA-N 2 1 349.563 3.362 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CC[C@@H]([N@@H+](C)CC3CCC(C)(C)CC3)C2)CC1 ZINC001192015820 1367664660 /nfs/dbraw/zinc/66/46/60/1367664660.db2.gz AEQTWGKJUWNKHI-GOSISDBHSA-N 2 1 349.563 3.077 20 0 EGADMP CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)C)C1)[NH+](CC)CC ZINC001192326881 1367753765 /nfs/dbraw/zinc/75/37/65/1367753765.db2.gz UOHZPVQDLWBHLQ-QZTJIDSGSA-N 2 1 325.541 3.076 20 0 EGADMP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCCC2)CCC1 ZINC001110664533 1367906164 /nfs/dbraw/zinc/90/61/64/1367906164.db2.gz QOPLOIGPVAQMFB-QRVBRYPASA-N 2 1 347.547 3.163 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1=CCCCC1 ZINC001110684264 1367926369 /nfs/dbraw/zinc/92/63/69/1367926369.db2.gz CNCOSLSWSKPLKI-NMLBUPMWSA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001110684264 1367926372 /nfs/dbraw/zinc/92/63/72/1367926372.db2.gz CNCOSLSWSKPLKI-NMLBUPMWSA-N 2 1 345.531 3.083 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001110684264 1367926377 /nfs/dbraw/zinc/92/63/77/1367926377.db2.gz CNCOSLSWSKPLKI-NMLBUPMWSA-N 2 1 345.531 3.083 20 0 EGADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754445 1367961460 /nfs/dbraw/zinc/96/14/60/1367961460.db2.gz NDYPZJDLQQAAOW-YSTOQKLRSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001110754445 1367961464 /nfs/dbraw/zinc/96/14/64/1367961464.db2.gz NDYPZJDLQQAAOW-YSTOQKLRSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001110754445 1367961468 /nfs/dbraw/zinc/96/14/68/1367961468.db2.gz NDYPZJDLQQAAOW-YSTOQKLRSA-N 2 1 349.563 3.265 20 0 EGADMP CC(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408262 1368020692 /nfs/dbraw/zinc/02/06/92/1368020692.db2.gz HDXGTSFUDAQSAD-FPOVZHCZSA-N 2 1 345.531 3.042 20 0 EGADMP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948574 1368115637 /nfs/dbraw/zinc/11/56/37/1368115637.db2.gz BPEIATCFYQKYPO-KURKYZTESA-N 2 1 347.503 3.257 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948574 1368115641 /nfs/dbraw/zinc/11/56/41/1368115641.db2.gz BPEIATCFYQKYPO-KURKYZTESA-N 2 1 347.503 3.257 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC2(CC2)CC1 ZINC001111233072 1368209016 /nfs/dbraw/zinc/20/90/16/1368209016.db2.gz GGTDDVDHNGDSBO-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC2(CC2)CC1 ZINC001111233072 1368209020 /nfs/dbraw/zinc/20/90/20/1368209020.db2.gz GGTDDVDHNGDSBO-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC2(CC2)CC1 ZINC001111233072 1368209023 /nfs/dbraw/zinc/20/90/23/1368209023.db2.gz GGTDDVDHNGDSBO-QRVBRYPASA-N 2 1 347.547 3.020 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001194265400 1368219229 /nfs/dbraw/zinc/21/92/29/1368219229.db2.gz CVFANMPDTFVGEE-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001194265400 1368219231 /nfs/dbraw/zinc/21/92/31/1368219231.db2.gz CVFANMPDTFVGEE-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001194265400 1368219236 /nfs/dbraw/zinc/21/92/36/1368219236.db2.gz CVFANMPDTFVGEE-MSOLQXFVSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293572 1368225362 /nfs/dbraw/zinc/22/53/62/1368225362.db2.gz IBXMGYBGUYWFCJ-RTBURBONSA-N 2 1 349.494 3.150 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194293572 1368225370 /nfs/dbraw/zinc/22/53/70/1368225370.db2.gz IBXMGYBGUYWFCJ-RTBURBONSA-N 2 1 349.494 3.150 20 0 EGADMP CC[C@H](c1ccc(F)cc1)[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194293572 1368225375 /nfs/dbraw/zinc/22/53/75/1368225375.db2.gz IBXMGYBGUYWFCJ-RTBURBONSA-N 2 1 349.494 3.150 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH+](C)[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001194293765 1368225600 /nfs/dbraw/zinc/22/56/00/1368225600.db2.gz JAAMSMWVPYQCDK-MOPGFXCFSA-N 2 1 345.531 3.237 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001194293765 1368225606 /nfs/dbraw/zinc/22/56/06/1368225606.db2.gz JAAMSMWVPYQCDK-MOPGFXCFSA-N 2 1 345.531 3.237 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[N@H+](C)[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001194293765 1368225611 /nfs/dbraw/zinc/22/56/11/1368225611.db2.gz JAAMSMWVPYQCDK-MOPGFXCFSA-N 2 1 345.531 3.237 20 0 EGADMP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194448402 1368264728 /nfs/dbraw/zinc/26/47/28/1368264728.db2.gz DYPQLKHWXMBQJZ-FQEVSTJZSA-N 2 1 345.531 3.087 20 0 EGADMP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194448402 1368264731 /nfs/dbraw/zinc/26/47/31/1368264731.db2.gz DYPQLKHWXMBQJZ-FQEVSTJZSA-N 2 1 345.531 3.087 20 0 EGADMP CCC(CC)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194448402 1368264732 /nfs/dbraw/zinc/26/47/32/1368264732.db2.gz DYPQLKHWXMBQJZ-FQEVSTJZSA-N 2 1 345.531 3.087 20 0 EGADMP CCC(CC)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194448402 1368264734 /nfs/dbraw/zinc/26/47/34/1368264734.db2.gz DYPQLKHWXMBQJZ-FQEVSTJZSA-N 2 1 345.531 3.087 20 0 EGADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111416801 1368303497 /nfs/dbraw/zinc/30/34/97/1368303497.db2.gz SUKGGPIONFXEEU-AQNXPRMDSA-N 2 1 349.563 3.410 20 0 EGADMP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111458533 1368310239 /nfs/dbraw/zinc/31/02/39/1368310239.db2.gz DHFYNGRSQNCMEW-JKKVLMFISA-N 2 1 347.547 3.330 20 0 EGADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001111463210 1368311638 /nfs/dbraw/zinc/31/16/38/1368311638.db2.gz DRUUIJZZQREUQS-YRXWBPOGSA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001111463210 1368311643 /nfs/dbraw/zinc/31/16/43/1368311643.db2.gz DRUUIJZZQREUQS-YRXWBPOGSA-N 2 1 335.536 3.163 20 0 EGADMP CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001111463210 1368311646 /nfs/dbraw/zinc/31/16/46/1368311646.db2.gz DRUUIJZZQREUQS-YRXWBPOGSA-N 2 1 335.536 3.163 20 0 EGADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC001325320502 1387933060 /nfs/dbraw/zinc/93/30/60/1387933060.db2.gz QSMHNIVCBAVECI-HNNXBMFYSA-N 2 1 341.455 3.035 20 0 EGADMP CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001111753915 1368444592 /nfs/dbraw/zinc/44/45/92/1368444592.db2.gz CHLIUGCRVBYQIW-UWVAXJGDSA-N 2 1 346.519 3.167 20 0 EGADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001111753915 1368444595 /nfs/dbraw/zinc/44/45/95/1368444595.db2.gz CHLIUGCRVBYQIW-UWVAXJGDSA-N 2 1 346.519 3.167 20 0 EGADMP CC(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001111816949 1368479367 /nfs/dbraw/zinc/47/93/67/1368479367.db2.gz GBYINSRXRCMYOY-RXVVDRJESA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001195845440 1368501966 /nfs/dbraw/zinc/50/19/66/1368501966.db2.gz JGKJJKCOOPKYNF-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CCCCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196164240 1368560790 /nfs/dbraw/zinc/56/07/90/1368560790.db2.gz ZFDWKMCOUKWTGD-LJQANCHMSA-N 2 1 335.536 3.118 20 0 EGADMP CCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001196164240 1368560796 /nfs/dbraw/zinc/56/07/96/1368560796.db2.gz ZFDWKMCOUKWTGD-LJQANCHMSA-N 2 1 335.536 3.118 20 0 EGADMP CCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001196164240 1368560799 /nfs/dbraw/zinc/56/07/99/1368560799.db2.gz ZFDWKMCOUKWTGD-LJQANCHMSA-N 2 1 335.536 3.118 20 0 EGADMP CC(C)CCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196163686 1368561504 /nfs/dbraw/zinc/56/15/04/1368561504.db2.gz SADRDOLTTMWQFI-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001196163686 1368561510 /nfs/dbraw/zinc/56/15/10/1368561510.db2.gz SADRDOLTTMWQFI-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)CCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001196163686 1368561512 /nfs/dbraw/zinc/56/15/12/1368561512.db2.gz SADRDOLTTMWQFI-HXUWFJFHSA-N 2 1 349.563 3.364 20 0 EGADMP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388957 1368603862 /nfs/dbraw/zinc/60/38/62/1368603862.db2.gz XJPBTSGHYGISAM-ROUKRRSUSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001196388957 1368603867 /nfs/dbraw/zinc/60/38/67/1368603867.db2.gz XJPBTSGHYGISAM-ROUKRRSUSA-N 2 1 349.563 3.388 20 0 EGADMP CCC/C=C/CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001196388957 1368603869 /nfs/dbraw/zinc/60/38/69/1368603869.db2.gz XJPBTSGHYGISAM-ROUKRRSUSA-N 2 1 349.563 3.388 20 0 EGADMP CCC(CC)C[N@H+]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001197141931 1368753524 /nfs/dbraw/zinc/75/35/24/1368753524.db2.gz PPDPDLFFMGPGGK-SFHVURJKSA-N 2 1 325.541 3.077 20 0 EGADMP CCCCCC[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001197331541 1368790538 /nfs/dbraw/zinc/79/05/38/1368790538.db2.gz MOKRCALZDXYEFG-IBGZPJMESA-N 2 1 337.552 3.366 20 0 EGADMP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001112529772 1368916161 /nfs/dbraw/zinc/91/61/61/1368916161.db2.gz OMPDSPWAZQPRMR-ZJOUEHCJSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[NH+](CCCC(C)(C)C)CC1 ZINC001197907465 1368922426 /nfs/dbraw/zinc/92/24/26/1368922426.db2.gz FPVXTUNNWJCJMR-UHFFFAOYSA-N 2 1 325.541 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001197907465 1368922427 /nfs/dbraw/zinc/92/24/27/1368922427.db2.gz FPVXTUNNWJCJMR-UHFFFAOYSA-N 2 1 325.541 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001197907465 1368922429 /nfs/dbraw/zinc/92/24/29/1368922429.db2.gz FPVXTUNNWJCJMR-UHFFFAOYSA-N 2 1 325.541 3.079 20 0 EGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001198222227 1368983552 /nfs/dbraw/zinc/98/35/52/1368983552.db2.gz VSQWLUIKOPHYKJ-QZTJIDSGSA-N 2 1 337.552 3.220 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001198243044 1368987483 /nfs/dbraw/zinc/98/74/83/1368987483.db2.gz DCBAPABEFOFSFZ-UHFFFAOYSA-N 2 1 349.563 3.367 20 0 EGADMP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001198259470 1368991695 /nfs/dbraw/zinc/99/16/95/1368991695.db2.gz MCTOWILEHUEIBI-RURPWVQCSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001198259470 1368991699 /nfs/dbraw/zinc/99/16/99/1368991699.db2.gz MCTOWILEHUEIBI-RURPWVQCSA-N 2 1 335.536 3.142 20 0 EGADMP CCC/C=C\CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001198259470 1368991702 /nfs/dbraw/zinc/99/17/02/1368991702.db2.gz MCTOWILEHUEIBI-RURPWVQCSA-N 2 1 335.536 3.142 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001112964838 1369112404 /nfs/dbraw/zinc/11/24/04/1369112404.db2.gz ABXZVQPPQVUWLK-QUCCMNQESA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001186598062 1387981318 /nfs/dbraw/zinc/98/13/18/1387981318.db2.gz NXGFNHGBUYKBHI-SFHVURJKSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[NH+](CCCC2CCC2)CC1)C1CCCCC1 ZINC001113156691 1369233338 /nfs/dbraw/zinc/23/33/38/1369233338.db2.gz SEWSAQUXCQYSND-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP C[N@@H+](CCC(=O)N1CC[NH+](CCC(C)(C)C)CC1)C1CCCCC1 ZINC001113156771 1369233408 /nfs/dbraw/zinc/23/34/08/1369233408.db2.gz YASLJCIRIBGVDB-UHFFFAOYSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)c1ccc([C@@H](C)[NH+]2CCN(C(=O)CCC[NH+](C)C)CC2)cc1 ZINC001113275368 1369309276 /nfs/dbraw/zinc/30/92/76/1369309276.db2.gz KUVOCKGJWADPDY-GOSISDBHSA-N 2 1 345.531 3.357 20 0 EGADMP COc1ccsc1C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC001200095659 1369314801 /nfs/dbraw/zinc/31/48/01/1369314801.db2.gz LONWAGXINRJFQL-UHFFFAOYSA-N 2 1 349.500 3.363 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001200506679 1369382704 /nfs/dbraw/zinc/38/27/04/1369382704.db2.gz GIFPEUCGDJOYPK-IBGZPJMESA-N 2 1 335.536 3.020 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC([NH2+]CCCC(C)C)CC1 ZINC001200643626 1369404742 /nfs/dbraw/zinc/40/47/42/1369404742.db2.gz FGWYXOHTKAOGEZ-QGZVFWFLSA-N 2 1 348.535 3.413 20 0 EGADMP CCCCC[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001201378262 1369530813 /nfs/dbraw/zinc/53/08/13/1369530813.db2.gz HDKXDNKFEVCUBJ-UHFFFAOYSA-N 2 1 337.552 3.410 20 0 EGADMP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001113684101 1369563864 /nfs/dbraw/zinc/56/38/64/1369563864.db2.gz OAFYPVAJLWFDIA-ICSRJNTNSA-N 2 1 345.531 3.116 20 0 EGADMP Cc1ccc(F)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC001201633386 1369593872 /nfs/dbraw/zinc/59/38/72/1369593872.db2.gz IXZKCZFJACSZNF-HXUWFJFHSA-N 2 1 342.458 3.381 20 0 EGADMP CC(C)(C)CC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001202077818 1369682740 /nfs/dbraw/zinc/68/27/40/1369682740.db2.gz LPBFOSVQCLVURM-AABGKKOBSA-N 2 1 344.547 3.494 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001202077818 1369682744 /nfs/dbraw/zinc/68/27/44/1369682744.db2.gz LPBFOSVQCLVURM-AABGKKOBSA-N 2 1 344.547 3.494 20 0 EGADMP CC(C)(C)CC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001202077818 1369682748 /nfs/dbraw/zinc/68/27/48/1369682748.db2.gz LPBFOSVQCLVURM-AABGKKOBSA-N 2 1 344.547 3.494 20 0 EGADMP C[N@@H+](CC(=O)N1CCC([NH2+]CC2CCCCC2)CC1)CC(C)(C)C ZINC001202539549 1369802440 /nfs/dbraw/zinc/80/24/40/1369802440.db2.gz NNWYHBCSAACJSG-UHFFFAOYSA-N 2 1 337.552 3.125 20 0 EGADMP CCC1(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)COC1 ZINC001202969527 1369940857 /nfs/dbraw/zinc/94/08/57/1369940857.db2.gz YXGCZHYZIQLTQE-UXHICEINSA-N 2 1 328.500 3.257 20 0 EGADMP CCC1(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)COC1 ZINC001202969527 1369940860 /nfs/dbraw/zinc/94/08/60/1369940860.db2.gz YXGCZHYZIQLTQE-UXHICEINSA-N 2 1 328.500 3.257 20 0 EGADMP CCC1(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)COC1 ZINC001202969527 1369940864 /nfs/dbraw/zinc/94/08/64/1369940864.db2.gz YXGCZHYZIQLTQE-UXHICEINSA-N 2 1 328.500 3.257 20 0 EGADMP CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203105361 1369985571 /nfs/dbraw/zinc/98/55/71/1369985571.db2.gz XHOZBQMIZTUDLE-SJORKVTESA-N 2 1 337.552 3.314 20 0 EGADMP CC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203425628 1370120037 /nfs/dbraw/zinc/12/00/37/1370120037.db2.gz DBHQIZDQBNSHPM-JKCVZHOFSA-N 2 1 349.563 3.338 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]Cc2c(C)cccc2C)CC1 ZINC001203431986 1370123391 /nfs/dbraw/zinc/12/33/91/1370123391.db2.gz XQZYOUGTYDAALL-UHFFFAOYSA-N 2 1 345.531 3.116 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001203442409 1370128505 /nfs/dbraw/zinc/12/85/05/1370128505.db2.gz KIDCUYWHHGSGDC-GOSISDBHSA-N 2 1 345.531 3.369 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+][C@@H](C)c2cc(C)ccc2C)CC1 ZINC001203459827 1370133912 /nfs/dbraw/zinc/13/39/12/1370133912.db2.gz KEUALRTZLFAGFQ-SFHVURJKSA-N 2 1 345.531 3.287 20 0 EGADMP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203467343 1370135979 /nfs/dbraw/zinc/13/59/79/1370135979.db2.gz APNIELRFJJMCMH-IRXDYDNUSA-N 2 1 346.519 3.070 20 0 EGADMP CCCC[NH2+][C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C12CCC2 ZINC001203467312 1370136112 /nfs/dbraw/zinc/13/61/12/1370136112.db2.gz AFLCMTVLQYIKDV-SJORKVTESA-N 2 1 346.519 3.214 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC=C(C)C)C12CCC2 ZINC001203505314 1370147408 /nfs/dbraw/zinc/14/74/08/1370147408.db2.gz CHFJXCGENYHKEV-RBUKOAKNSA-N 2 1 349.563 3.482 20 0 EGADMP COc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1 ZINC001203820842 1370277419 /nfs/dbraw/zinc/27/74/19/1370277419.db2.gz LFAFSBRUZZDUQG-IAGOWNOFSA-N 2 1 328.481 3.321 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001203903831 1370308291 /nfs/dbraw/zinc/30/82/91/1370308291.db2.gz OTDLBMAGBQEMFX-HXUWFJFHSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)CCC[NH2+]C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001204075646 1370369282 /nfs/dbraw/zinc/36/92/82/1370369282.db2.gz BNGCFHSMZXHRGI-UHFFFAOYSA-N 2 1 345.531 3.135 20 0 EGADMP CC(C)CCC[NH2+]C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001204075646 1370369289 /nfs/dbraw/zinc/36/92/89/1370369289.db2.gz BNGCFHSMZXHRGI-UHFFFAOYSA-N 2 1 345.531 3.135 20 0 EGADMP Cc1[nH]c2ccccc2c1C[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001204287882 1370432370 /nfs/dbraw/zinc/43/23/70/1370432370.db2.gz ADYRCHXVRQSXMP-KDURUIRLSA-N 2 1 346.478 3.435 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCCCC2)CCCCC1 ZINC001115450863 1370459305 /nfs/dbraw/zinc/45/93/05/1370459305.db2.gz ROKROVGKBBCCKO-LJQANCHMSA-N 2 1 349.563 3.460 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001115535359 1370531984 /nfs/dbraw/zinc/53/19/84/1370531984.db2.gz SOHQQPBHLSCXFZ-MRDWYFFCSA-N 2 1 341.927 3.020 20 0 EGADMP CCCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCCC1 ZINC001115547183 1370544331 /nfs/dbraw/zinc/54/43/31/1370544331.db2.gz PXJWSBLARIODLU-ZWKOTPCHSA-N 2 1 337.552 3.316 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC3CCC3)CCCCC2)C1 ZINC001115571718 1370573841 /nfs/dbraw/zinc/57/38/41/1370573841.db2.gz LYKBWYHLWIRVSY-LJQANCHMSA-N 2 1 349.563 3.173 20 0 EGADMP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC001115572954 1370574847 /nfs/dbraw/zinc/57/48/47/1370574847.db2.gz BBNQUCMQONMULN-DLBZAZTESA-N 2 1 346.519 3.215 20 0 EGADMP CC(C)=CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579272 1370582988 /nfs/dbraw/zinc/58/29/88/1370582988.db2.gz FXAGQTVOWYJOJL-SFHVURJKSA-N 2 1 335.536 3.236 20 0 EGADMP Clc1ccc2c(c1)C[N@H+](Cc1cccc(N3CC[NH2+]CC3)c1)CC2 ZINC001204854546 1370591368 /nfs/dbraw/zinc/59/13/68/1370591368.db2.gz OXFICPYZLBQQNR-UHFFFAOYSA-N 2 1 341.886 3.308 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115596648 1370597272 /nfs/dbraw/zinc/59/72/72/1370597272.db2.gz PQICQPIOFXXYPJ-LJQANCHMSA-N 2 1 349.563 3.460 20 0 EGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001115596746 1370597331 /nfs/dbraw/zinc/59/73/31/1370597331.db2.gz URECHFIPZRLVRU-GOSISDBHSA-N 2 1 349.563 3.316 20 0 EGADMP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001204995365 1370623187 /nfs/dbraw/zinc/62/31/87/1370623187.db2.gz OUKOAGPEZJJKBJ-QXAKKESOSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001204995365 1370623196 /nfs/dbraw/zinc/62/31/96/1370623196.db2.gz OUKOAGPEZJJKBJ-QXAKKESOSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001204995365 1370623202 /nfs/dbraw/zinc/62/32/02/1370623202.db2.gz OUKOAGPEZJJKBJ-QXAKKESOSA-N 2 1 344.528 3.214 20 0 EGADMP Cn1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001204995365 1370623207 /nfs/dbraw/zinc/62/32/07/1370623207.db2.gz OUKOAGPEZJJKBJ-QXAKKESOSA-N 2 1 344.528 3.214 20 0 EGADMP COc1c(Cl)cc(C[NH+]2CCC(C[NH3+])CC2)cc1Br ZINC001205046342 1370637192 /nfs/dbraw/zinc/63/71/92/1370637192.db2.gz FIEYEQMYKJIELR-UHFFFAOYSA-N 2 1 347.684 3.282 20 0 EGADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209143 1370681179 /nfs/dbraw/zinc/68/11/79/1370681179.db2.gz HUHYTHMINUJWEK-UWJYYQICSA-N 2 1 332.532 3.338 20 0 EGADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001205230267 1370688579 /nfs/dbraw/zinc/68/85/79/1370688579.db2.gz RUTRMIRHNCZOCI-AWEZNQCLSA-N 2 1 336.785 3.035 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)CC1 ZINC001205228410 1370687943 /nfs/dbraw/zinc/68/79/43/1370687943.db2.gz FQRHLBFPMZVVOF-CQSZACIVSA-N 2 1 336.785 3.035 20 0 EGADMP C[C@@H]1CC[N@@H+](CCCc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC001205295645 1370709821 /nfs/dbraw/zinc/70/98/21/1370709821.db2.gz AXGHOHVVFHDRFS-UKRRQHHQSA-N 2 1 325.294 3.298 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205305959 1370715198 /nfs/dbraw/zinc/71/51/98/1370715198.db2.gz UYBPFXKUIROXSM-AAEUAGOBSA-N 2 1 332.366 3.011 20 0 EGADMP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205305959 1370715203 /nfs/dbraw/zinc/71/52/03/1370715203.db2.gz UYBPFXKUIROXSM-AAEUAGOBSA-N 2 1 332.366 3.011 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cn2)C[C@H]1C[NH3+] ZINC001205317741 1370720186 /nfs/dbraw/zinc/72/01/86/1370720186.db2.gz PSDADGQBNMWZOQ-SJLPKXTDSA-N 2 1 325.456 3.077 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cn2)C[C@H]1C[NH3+] ZINC001205317741 1370720188 /nfs/dbraw/zinc/72/01/88/1370720188.db2.gz PSDADGQBNMWZOQ-SJLPKXTDSA-N 2 1 325.456 3.077 20 0 EGADMP COc1ccc2c(OC)ccc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)c2c1 ZINC001205318293 1370720223 /nfs/dbraw/zinc/72/02/23/1370720223.db2.gz TYRNULWBRADDEG-GOEBONIOSA-N 2 1 328.456 3.274 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCCCC1 ZINC001115760563 1370744135 /nfs/dbraw/zinc/74/41/35/1370744135.db2.gz NERYREMWWQWYEL-SFHVURJKSA-N 2 1 337.552 3.314 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC(C)C)CC1 ZINC001205420448 1370749470 /nfs/dbraw/zinc/74/94/70/1370749470.db2.gz UVYZMDMJFKQQMI-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)NCC1([NH2+]CC(C)C)CCCCC1 ZINC001115773234 1370756268 /nfs/dbraw/zinc/75/62/68/1370756268.db2.gz SYEABHISYJDMGB-UHFFFAOYSA-N 2 1 334.508 3.036 20 0 EGADMP CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001205460915 1370762745 /nfs/dbraw/zinc/76/27/45/1370762745.db2.gz APZBPLIDRMZEIP-SFHVURJKSA-N 2 1 346.519 3.169 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2cccc(F)c2)CCCCC1 ZINC001115806240 1370789986 /nfs/dbraw/zinc/78/99/86/1370789986.db2.gz SRWQFASUHOLPSC-UHFFFAOYSA-N 2 1 349.494 3.076 20 0 EGADMP Cc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(Br)c1 ZINC001205559875 1370790990 /nfs/dbraw/zinc/79/09/90/1370790990.db2.gz WIHFQKNUVYNHAK-OAHLLOKOSA-N 2 1 329.257 3.410 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)CC1 ZINC001205579632 1370798704 /nfs/dbraw/zinc/79/87/04/1370798704.db2.gz PLPYNYQIUUZWSY-FQEVSTJZSA-N 2 1 343.446 3.314 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(C(F)(F)F)cnc2Cl)CC1 ZINC001205582167 1370799652 /nfs/dbraw/zinc/79/96/52/1370799652.db2.gz XFIPWDYIVIVHNX-CYBMUJFWSA-N 2 1 339.764 3.407 20 0 EGADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(C(F)(F)F)cnc2Cl)CC1 ZINC001205582167 1370799653 /nfs/dbraw/zinc/79/96/53/1370799653.db2.gz XFIPWDYIVIVHNX-CYBMUJFWSA-N 2 1 339.764 3.407 20 0 EGADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2csc(-c3ccc(O)cc3)n2)CC1 ZINC001205592801 1370803755 /nfs/dbraw/zinc/80/37/55/1370803755.db2.gz YPJMDFMWQYXOAX-KRWDZBQOSA-N 2 1 335.448 3.169 20 0 EGADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCCN2Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC001205599819 1370807013 /nfs/dbraw/zinc/80/70/13/1370807013.db2.gz AFKBKBNWVCVIJZ-NRSPTQNISA-N 2 1 329.532 3.348 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Br)CC[C@@H]1C[NH3+] ZINC001205618297 1370812414 /nfs/dbraw/zinc/81/24/14/1370812414.db2.gz UGSPGSUHQUNPCW-VXGBXAGGSA-N 2 1 329.257 3.395 20 0 EGADMP CCOC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205617759 1370812401 /nfs/dbraw/zinc/81/24/01/1370812401.db2.gz NEKLTTRBMSPJLH-GJZGRUSLSA-N 2 1 343.471 3.151 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)CC[C@H]1C[NH3+] ZINC001205618021 1370813180 /nfs/dbraw/zinc/81/31/80/1370813180.db2.gz QPYUJABIFBZHES-WBVHZDCISA-N 2 1 326.444 3.076 20 0 EGADMP C[C@H]1CC[N@H+](Cc2ccc(Cl)c(Br)n2)CC[C@@H]1C[NH3+] ZINC001205637397 1370821636 /nfs/dbraw/zinc/82/16/36/1370821636.db2.gz GQRHYWCGNFSATF-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Br)n2)CC[C@@H]1C[NH3+] ZINC001205637397 1370821641 /nfs/dbraw/zinc/82/16/41/1370821641.db2.gz GQRHYWCGNFSATF-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP CC(C)C[C@@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[NH+](C)C ZINC001116125338 1370842427 /nfs/dbraw/zinc/84/24/27/1370842427.db2.gz IXNBKQXMXGDNEX-IRXDYDNUSA-N 2 1 339.911 3.035 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(OCc2ccccc2)ccn1 ZINC001205916894 1370910358 /nfs/dbraw/zinc/91/03/58/1370910358.db2.gz WESXPWDVWOSLRH-FUHWJXTLSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(OCc2ccccc2)ccn1 ZINC001205916894 1370910369 /nfs/dbraw/zinc/91/03/69/1370910369.db2.gz WESXPWDVWOSLRH-FUHWJXTLSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cn1 ZINC001205922903 1370912491 /nfs/dbraw/zinc/91/24/91/1370912491.db2.gz DBDPNSLUVITBMJ-WMZOPIPTSA-N 2 1 325.456 3.220 20 0 EGADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(OCc2ccccc2)cn1 ZINC001205922903 1370912495 /nfs/dbraw/zinc/91/24/95/1370912495.db2.gz DBDPNSLUVITBMJ-WMZOPIPTSA-N 2 1 325.456 3.220 20 0 EGADMP CC(C)C[N@@H+](Cc1ccccc1)Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001205925151 1370913560 /nfs/dbraw/zinc/91/35/60/1370913560.db2.gz VXOWQDZDLRPRFD-UHFFFAOYSA-N 2 1 338.499 3.149 20 0 EGADMP Cc1noc(C)c1C[NH+]1CCN(c2c(C)c[nH+]c3ccccc32)CC1 ZINC001116465820 1370918118 /nfs/dbraw/zinc/91/81/18/1370918118.db2.gz YPGMFSNLRINHQB-UHFFFAOYSA-N 2 1 336.439 3.470 20 0 EGADMP Cc1c(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001116530186 1370930268 /nfs/dbraw/zinc/93/02/68/1370930268.db2.gz DFXFGWFXJJRMMU-YJBOKZPZSA-N 2 1 348.450 3.036 20 0 EGADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Cl)c1OC ZINC001206002808 1370934181 /nfs/dbraw/zinc/93/41/81/1370934181.db2.gz BISHFQINPULXBN-STQMWFEESA-N 2 1 326.868 3.164 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccc(O)c(OC(F)(F)F)c2)CCC[C@H]1C[NH3+] ZINC001206026553 1370942046 /nfs/dbraw/zinc/94/20/46/1370942046.db2.gz SVAJFAIIGYQDKS-AAEUAGOBSA-N 2 1 332.366 3.098 20 0 EGADMP COc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1Br ZINC001206025544 1370942458 /nfs/dbraw/zinc/94/24/58/1370942458.db2.gz OBXBDALFOSLRFF-OLZOCXBDSA-N 2 1 341.293 3.265 20 0 EGADMP COc1cccc(Br)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206028252 1370943075 /nfs/dbraw/zinc/94/30/75/1370943075.db2.gz XXTJWFSHKLDCPS-QWHCGFSZSA-N 2 1 341.293 3.265 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccnc(OCc3ccccc3)c2)CCC[C@@H]1C[NH3+] ZINC001206036735 1370944642 /nfs/dbraw/zinc/94/46/42/1370944642.db2.gz PCWZGWSKAUKSFZ-YLJYHZDGSA-N 2 1 339.483 3.467 20 0 EGADMP C[C@H]1C[N@H+](Cc2c(Cl)cncc2Br)CCC[C@@H]1C[NH3+] ZINC001206036575 1370945279 /nfs/dbraw/zinc/94/52/79/1370945279.db2.gz LMHKIMCWRZUIJZ-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2c(Cl)cncc2Br)CCC[C@@H]1C[NH3+] ZINC001206036575 1370945282 /nfs/dbraw/zinc/94/52/82/1370945282.db2.gz LMHKIMCWRZUIJZ-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@H+](Cc2cncc(Br)c2Cl)CCC[C@@H]1C[NH3+] ZINC001206036863 1370945291 /nfs/dbraw/zinc/94/52/91/1370945291.db2.gz RVFYMAGFYOAYOA-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP C[C@H]1C[N@@H+](Cc2cncc(Br)c2Cl)CCC[C@@H]1C[NH3+] ZINC001206036863 1370945294 /nfs/dbraw/zinc/94/52/94/1370945294.db2.gz RVFYMAGFYOAYOA-WDEREUQCSA-N 2 1 346.700 3.304 20 0 EGADMP Cc1nc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)co1 ZINC001206093038 1370958556 /nfs/dbraw/zinc/95/85/56/1370958556.db2.gz KECUWWINHCVSEU-RBUKOAKNSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1nc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)co1 ZINC001206093038 1370958557 /nfs/dbraw/zinc/95/85/57/1370958557.db2.gz KECUWWINHCVSEU-RBUKOAKNSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1nc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)co1 ZINC001206093038 1370958559 /nfs/dbraw/zinc/95/85/59/1370958559.db2.gz KECUWWINHCVSEU-RBUKOAKNSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1nc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)co1 ZINC001206093038 1370958562 /nfs/dbraw/zinc/95/85/62/1370958562.db2.gz KECUWWINHCVSEU-RBUKOAKNSA-N 2 1 325.456 3.327 20 0 EGADMP Cc1nc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)co1 ZINC001206093038 1370958563 /nfs/dbraw/zinc/95/85/63/1370958563.db2.gz KECUWWINHCVSEU-RBUKOAKNSA-N 2 1 325.456 3.327 20 0 EGADMP COc1cc(F)ccc1-c1cncc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206210341 1370992897 /nfs/dbraw/zinc/99/28/97/1370992897.db2.gz KDLQXQQRJZMXGM-ZWKOTPCHSA-N 2 1 347.409 3.158 20 0 EGADMP COc1cc(F)ccc1-c1cncc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206210341 1370992902 /nfs/dbraw/zinc/99/29/02/1370992902.db2.gz KDLQXQQRJZMXGM-ZWKOTPCHSA-N 2 1 347.409 3.158 20 0 EGADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(Cl)c1 ZINC001206317223 1371020293 /nfs/dbraw/zinc/02/02/93/1371020293.db2.gz DCLBIMCRCNALLT-SFHVURJKSA-N 2 1 338.879 3.468 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2nc(Cl)ccc2Br)CC1 ZINC001206317250 1371020510 /nfs/dbraw/zinc/02/05/10/1371020510.db2.gz DNTFYYVCZVAECG-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2nc(Cl)ccc2Br)CC1 ZINC001206317250 1371020511 /nfs/dbraw/zinc/02/05/11/1371020511.db2.gz DNTFYYVCZVAECG-AWEZNQCLSA-N 2 1 346.700 3.448 20 0 EGADMP [NH3+]C[C@@]1(F)CCCCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001206335881 1371027268 /nfs/dbraw/zinc/02/72/68/1371027268.db2.gz HUTNLCQZJZKKGF-PMACEKPBSA-N 2 1 333.495 3.194 20 0 EGADMP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206547545 1371090106 /nfs/dbraw/zinc/09/01/06/1371090106.db2.gz HVTQNJOMSVNVPS-WGLWSTOQSA-N 2 1 347.547 3.188 20 0 EGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206550174 1371090951 /nfs/dbraw/zinc/09/09/51/1371090951.db2.gz XAGMRWSZKHGSIF-HXUWFJFHSA-N 2 1 326.488 3.440 20 0 EGADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)C1 ZINC001206572637 1371096423 /nfs/dbraw/zinc/09/64/23/1371096423.db2.gz FOEVQKOCHISXTO-SFHVURJKSA-N 2 1 332.879 3.477 20 0 EGADMP CCOC(=O)c1c(C)[nH]c(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1C ZINC001206580083 1371099023 /nfs/dbraw/zinc/09/90/23/1371099023.db2.gz CCCONZWKJQYCIY-INIZCTEOSA-N 2 1 335.492 3.161 20 0 EGADMP COc1ncccc1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001206589141 1371101015 /nfs/dbraw/zinc/10/10/15/1371101015.db2.gz GYFAYVVIHPDDMI-UHFFFAOYSA-N 2 1 339.483 3.434 20 0 EGADMP COC(=O)c1[nH]c2ccccc2c1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206592130 1371102570 /nfs/dbraw/zinc/10/25/70/1371102570.db2.gz XMLSNZNDRXLMBM-HNNXBMFYSA-N 2 1 343.471 3.307 20 0 EGADMP Cc1cc(NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)cc(C)[nH+]1 ZINC001117954431 1371113072 /nfs/dbraw/zinc/11/30/72/1371113072.db2.gz ABYGQMNYTFETSG-SFHVURJKSA-N 2 1 326.444 3.065 20 0 EGADMP COc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1OC(F)(F)F ZINC001206633031 1371114795 /nfs/dbraw/zinc/11/47/95/1371114795.db2.gz RLSOLTPSPVNRAH-ZDUSSCGKSA-N 2 1 332.366 3.155 20 0 EGADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC001206633710 1371115507 /nfs/dbraw/zinc/11/55/07/1371115507.db2.gz ZPNQTNMGRLFGNN-SFHVURJKSA-N 2 1 325.456 3.221 20 0 EGADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CCCc1cccc(Br)c1 ZINC001206761333 1371156537 /nfs/dbraw/zinc/15/65/37/1371156537.db2.gz WYRZYCDRJVHVDI-HIFRSBDPSA-N 2 1 325.294 3.441 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206769280 1371158430 /nfs/dbraw/zinc/15/84/30/1371158430.db2.gz OANJKXJDKSJZNP-VXGBXAGGSA-N 2 1 332.366 3.153 20 0 EGADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206769280 1371158433 /nfs/dbraw/zinc/15/84/33/1371158433.db2.gz OANJKXJDKSJZNP-VXGBXAGGSA-N 2 1 332.366 3.153 20 0 EGADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2cc(C)ccn2)CC1 ZINC001206852453 1371189295 /nfs/dbraw/zinc/18/92/95/1371189295.db2.gz AVHMHGHVLZSCSV-UHFFFAOYSA-N 2 1 332.536 3.020 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001206890213 1371209680 /nfs/dbraw/zinc/20/96/80/1371209680.db2.gz GMKHCWOWDVNVBE-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001206890566 1371209701 /nfs/dbraw/zinc/20/97/01/1371209701.db2.gz XWKJJKXYHBUMHB-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001206954654 1371244881 /nfs/dbraw/zinc/24/48/81/1371244881.db2.gz QULPBBOTGKGIQD-MRXNPFEDSA-N 2 1 349.494 3.055 20 0 EGADMP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ncccn2)CC3)c1 ZINC001207013159 1371266946 /nfs/dbraw/zinc/26/69/46/1371266946.db2.gz OLWJOMJCLNXTTP-UHFFFAOYSA-N 2 1 328.485 3.026 20 0 EGADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ncccn2)CC3)c1 ZINC001207013159 1371266947 /nfs/dbraw/zinc/26/69/47/1371266947.db2.gz OLWJOMJCLNXTTP-UHFFFAOYSA-N 2 1 328.485 3.026 20 0 EGADMP Fc1cccnc1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001207032438 1371272446 /nfs/dbraw/zinc/27/24/46/1371272446.db2.gz UUSAELBWGHYESG-UHFFFAOYSA-N 2 1 340.446 3.104 20 0 EGADMP Fc1cccnc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001207032438 1371272449 /nfs/dbraw/zinc/27/24/49/1371272449.db2.gz UUSAELBWGHYESG-UHFFFAOYSA-N 2 1 340.446 3.104 20 0 EGADMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cccc(=O)[nH]3)C[C@@H]21 ZINC001207068985 1371284812 /nfs/dbraw/zinc/28/48/12/1371284812.db2.gz IGMBYKGYLJSTTO-ZJOUEHCJSA-N 2 1 337.467 3.398 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cccc(=O)[nH]3)C[C@@H]21 ZINC001207068985 1371284817 /nfs/dbraw/zinc/28/48/17/1371284817.db2.gz IGMBYKGYLJSTTO-ZJOUEHCJSA-N 2 1 337.467 3.398 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cccc(=O)[nH]3)C[C@@H]21 ZINC001207068985 1371284820 /nfs/dbraw/zinc/28/48/20/1371284820.db2.gz IGMBYKGYLJSTTO-ZJOUEHCJSA-N 2 1 337.467 3.398 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cccc(=O)[nH]3)C[C@@H]21 ZINC001207068985 1371284821 /nfs/dbraw/zinc/28/48/21/1371284821.db2.gz IGMBYKGYLJSTTO-ZJOUEHCJSA-N 2 1 337.467 3.398 20 0 EGADMP C[NH2+][C@@H](C)Cc1noc([C@H]2CCCC[N@@H+]2Cc2cccc(C)c2)n1 ZINC001326209317 1388127893 /nfs/dbraw/zinc/12/78/93/1388127893.db2.gz SROUGPHROFXFCA-DOTOQJQBSA-N 2 1 328.460 3.256 20 0 EGADMP C[NH2+][C@@H](C)Cc1noc([C@H]2CCCC[N@H+]2Cc2cccc(C)c2)n1 ZINC001326209317 1388127895 /nfs/dbraw/zinc/12/78/95/1388127895.db2.gz SROUGPHROFXFCA-DOTOQJQBSA-N 2 1 328.460 3.256 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001207276541 1371347501 /nfs/dbraw/zinc/34/75/01/1371347501.db2.gz ZBOKWEVVWUJQOC-CVEARBPZSA-N 2 1 341.540 3.057 20 0 EGADMP C[NH+](C)CC(C)(C)C[NH+]1CCC(Oc2ncnc3ccccc32)CC1 ZINC001207284974 1371349624 /nfs/dbraw/zinc/34/96/24/1371349624.db2.gz WWYSIUUGVIYUGM-UHFFFAOYSA-N 2 1 342.487 3.061 20 0 EGADMP O[C@@]1(CF)CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207286078 1371350083 /nfs/dbraw/zinc/35/00/83/1371350083.db2.gz DQDOGKVASRUXCJ-FQEVSTJZSA-N 2 1 334.479 3.085 20 0 EGADMP Cc1ccc(N2C[C@@]3(CC[N@@H+](CC(C)(C)C[NH+](C)C)C3)CC2=O)s1 ZINC001207282825 1371350177 /nfs/dbraw/zinc/35/01/77/1371350177.db2.gz VUYRNNRCCXRHQR-IBGZPJMESA-N 2 1 349.544 3.073 20 0 EGADMP Cc1ccc(N2C[C@@]3(CC[N@H+](CC(C)(C)C[NH+](C)C)C3)CC2=O)s1 ZINC001207282825 1371350181 /nfs/dbraw/zinc/35/01/81/1371350181.db2.gz VUYRNNRCCXRHQR-IBGZPJMESA-N 2 1 349.544 3.073 20 0 EGADMP C[NH+](C)CC(C)(C)CN1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001207287810 1371351727 /nfs/dbraw/zinc/35/17/27/1371351727.db2.gz GDEYSLPRKDKOQL-DOIPELPJSA-N 3 1 345.575 3.469 20 0 EGADMP COC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207292502 1371352773 /nfs/dbraw/zinc/35/27/73/1371352773.db2.gz RCSRNPMNBVAONX-XLIONFOSSA-N 2 1 344.499 3.172 20 0 EGADMP CN(C1CC1)[C@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293395 1371354120 /nfs/dbraw/zinc/35/41/20/1371354120.db2.gz IQYKHLXPOCHYFY-NRFANRHFSA-N 2 1 327.516 3.067 20 0 EGADMP C[N@H+](C1CC1)[C@H]1CCN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293395 1371354125 /nfs/dbraw/zinc/35/41/25/1371354125.db2.gz IQYKHLXPOCHYFY-NRFANRHFSA-N 2 1 327.516 3.067 20 0 EGADMP C[N@@H+](C1CC1)[C@H]1CCN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293395 1371354127 /nfs/dbraw/zinc/35/41/27/1371354127.db2.gz IQYKHLXPOCHYFY-NRFANRHFSA-N 2 1 327.516 3.067 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)CC1 ZINC001207396526 1371384071 /nfs/dbraw/zinc/38/40/71/1371384071.db2.gz KIUVHTRHKGUCJV-SFTDATJTSA-N 2 1 328.500 3.367 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001207399126 1371384157 /nfs/dbraw/zinc/38/41/57/1371384157.db2.gz BQQPGLGLVLFGRQ-JOCHJYFZSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001207399126 1371384164 /nfs/dbraw/zinc/38/41/64/1371384164.db2.gz BQQPGLGLVLFGRQ-JOCHJYFZSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001207399126 1371384166 /nfs/dbraw/zinc/38/41/66/1371384166.db2.gz BQQPGLGLVLFGRQ-JOCHJYFZSA-N 3 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001207399126 1371384168 /nfs/dbraw/zinc/38/41/68/1371384168.db2.gz BQQPGLGLVLFGRQ-JOCHJYFZSA-N 2 1 341.543 3.316 20 0 EGADMP C[NH+]1CCC(C[N@H+]2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC001207399126 1371384173 /nfs/dbraw/zinc/38/41/73/1371384173.db2.gz BQQPGLGLVLFGRQ-JOCHJYFZSA-N 2 1 341.543 3.316 20 0 EGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H]4CCCOC4)CC[C@H]3C2)cc1 ZINC001207470375 1371404741 /nfs/dbraw/zinc/40/47/41/1371404741.db2.gz UPWRATJMKHVZJV-QHAWAJNXSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCOC4)CC[C@H]3C2)cc1 ZINC001207470375 1371404744 /nfs/dbraw/zinc/40/47/44/1371404744.db2.gz UPWRATJMKHVZJV-QHAWAJNXSA-N 2 1 328.500 3.257 20 0 EGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCOC4)CC[C@H]3C2)cc1 ZINC001207470375 1371404750 /nfs/dbraw/zinc/40/47/50/1371404750.db2.gz UPWRATJMKHVZJV-QHAWAJNXSA-N 2 1 328.500 3.257 20 0 EGADMP Cc1ccc(CN2C[C@@H]3C[NH+](CCC4CC[NH+](C)CC4)C[C@H]3C2)cc1 ZINC001207482522 1371409323 /nfs/dbraw/zinc/40/93/23/1371409323.db2.gz MWQWXPMLJSQYDR-VXKWHMMOSA-N 2 1 341.543 3.091 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207616817 1371453097 /nfs/dbraw/zinc/45/30/97/1371453097.db2.gz FXUXDQPMMUMDAZ-YSNLUETFSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001207616817 1371453121 /nfs/dbraw/zinc/45/31/21/1371453121.db2.gz FXUXDQPMMUMDAZ-YSNLUETFSA-N 2 1 335.536 3.044 20 0 EGADMP CCC/C=C\CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001207616817 1371453125 /nfs/dbraw/zinc/45/31/25/1371453125.db2.gz FXUXDQPMMUMDAZ-YSNLUETFSA-N 2 1 335.536 3.044 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCCC3CCC3)CCCCC2)C1 ZINC001120010423 1371454187 /nfs/dbraw/zinc/45/41/87/1371454187.db2.gz RBJITNWDRPBAGZ-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC001120031666 1371463089 /nfs/dbraw/zinc/46/30/89/1371463089.db2.gz SBXKPBZSJYEUST-OXJNMPFZSA-N 2 1 326.488 3.212 20 0 EGADMP CCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC001120031666 1371463093 /nfs/dbraw/zinc/46/30/93/1371463093.db2.gz SBXKPBZSJYEUST-OXJNMPFZSA-N 2 1 326.488 3.212 20 0 EGADMP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120129440 1371491665 /nfs/dbraw/zinc/49/16/65/1371491665.db2.gz HSEGPZZXGDKUPO-XFHJGTJQSA-N 2 1 335.536 3.093 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001120207748 1371504634 /nfs/dbraw/zinc/50/46/34/1371504634.db2.gz DGLWMUZZZPYWSM-LJEUOOAZSA-N 2 1 341.927 3.022 20 0 EGADMP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCCCC1 ZINC001120208079 1371505162 /nfs/dbraw/zinc/50/51/62/1371505162.db2.gz UJXOPDKJAHYSBO-ROUUACIJSA-N 2 1 337.552 3.316 20 0 EGADMP CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001120414098 1371565498 /nfs/dbraw/zinc/56/54/98/1371565498.db2.gz SGZAQTBHCZZNFY-RBUKOAKNSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001208013895 1371568684 /nfs/dbraw/zinc/56/86/84/1371568684.db2.gz KWLBSNOMJFGVCL-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120423887 1371571458 /nfs/dbraw/zinc/57/14/58/1371571458.db2.gz XRGHCVZNJUGWCR-RTBURBONSA-N 2 1 349.563 3.221 20 0 EGADMP C[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC2CC(C)(C)C2)C1 ZINC001120430966 1371574438 /nfs/dbraw/zinc/57/44/38/1371574438.db2.gz PCNGZMCWVWSGJX-RBUKOAKNSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CCC(C)C)C1 ZINC001120439856 1371576832 /nfs/dbraw/zinc/57/68/32/1371576832.db2.gz JFOIDYMXWWPQBK-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CCC(C)C)C1 ZINC001120439856 1371576834 /nfs/dbraw/zinc/57/68/34/1371576834.db2.gz JFOIDYMXWWPQBK-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CCC(C)C)C1 ZINC001120439856 1371576838 /nfs/dbraw/zinc/57/68/38/1371576838.db2.gz JFOIDYMXWWPQBK-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CC2CCCC2)C1 ZINC001120440084 1371578047 /nfs/dbraw/zinc/57/80/47/1371578047.db2.gz KYIQBCXJNPCOTA-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC2CCCC2)C1 ZINC001120440084 1371578051 /nfs/dbraw/zinc/57/80/51/1371578051.db2.gz KYIQBCXJNPCOTA-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC2CCCC2)C1 ZINC001120440084 1371578057 /nfs/dbraw/zinc/57/80/57/1371578057.db2.gz KYIQBCXJNPCOTA-PMACEKPBSA-N 2 1 349.563 3.221 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208073414 1371588187 /nfs/dbraw/zinc/58/81/87/1371588187.db2.gz BGQFRDXQRWYTBU-MVSSULDISA-N 2 1 347.547 3.044 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001208073568 1371588595 /nfs/dbraw/zinc/58/85/95/1371588595.db2.gz LMXLCWUXIHZKBK-ZGKJDNBHSA-N 2 1 346.519 3.334 20 0 EGADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CCCn3cccn3)C[C@@H]21 ZINC001208075680 1371589194 /nfs/dbraw/zinc/58/91/94/1371589194.db2.gz QPYGYNVUFUKMMQ-ACRUOGEOSA-N 2 1 338.499 3.384 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](CCCn3cccn3)C[C@@H]21 ZINC001208075680 1371589201 /nfs/dbraw/zinc/58/92/01/1371589201.db2.gz QPYGYNVUFUKMMQ-ACRUOGEOSA-N 2 1 338.499 3.384 20 0 EGADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](CCCn3cccn3)C[C@@H]21 ZINC001208075680 1371589205 /nfs/dbraw/zinc/58/92/05/1371589205.db2.gz QPYGYNVUFUKMMQ-ACRUOGEOSA-N 2 1 338.499 3.384 20 0 EGADMP c1cnn(CCC[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001208084568 1371591402 /nfs/dbraw/zinc/59/14/02/1371591402.db2.gz UXRWMVHGLAMMGX-NRFANRHFSA-N 2 1 338.499 3.261 20 0 EGADMP c1cnn(CCC[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001208084568 1371591409 /nfs/dbraw/zinc/59/14/09/1371591409.db2.gz UXRWMVHGLAMMGX-NRFANRHFSA-N 2 1 338.499 3.261 20 0 EGADMP c1cnn(CCC[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001208084568 1371591414 /nfs/dbraw/zinc/59/14/14/1371591414.db2.gz UXRWMVHGLAMMGX-NRFANRHFSA-N 2 1 338.499 3.261 20 0 EGADMP C[N@@H+](CC1(C)CC[NH+](C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208109911 1371597962 /nfs/dbraw/zinc/59/79/62/1371597962.db2.gz OVWHELCBROYVJP-MRXNPFEDSA-N 2 1 339.524 3.050 20 0 EGADMP C[C@@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)[C@H](C)CN1Cc1ccccc1 ZINC001208116133 1371600260 /nfs/dbraw/zinc/60/02/60/1371600260.db2.gz OPOLVCDCLBZJCK-RTBURBONSA-N 2 1 329.532 3.313 20 0 EGADMP CC[N@@H+]1CCO[C@@H]2C[NH+](CC[C@@H](C)CCCC(C)(C)OC)C[C@@H]2C1 ZINC001208205791 1371647115 /nfs/dbraw/zinc/64/71/15/1371647115.db2.gz LEJTZHYVLNFCJI-GBESFXJTSA-N 2 1 340.552 3.260 20 0 EGADMP CC[N@H+]1CCO[C@@H]2C[NH+](CC[C@@H](C)CCCC(C)(C)OC)C[C@@H]2C1 ZINC001208205791 1371647125 /nfs/dbraw/zinc/64/71/25/1371647125.db2.gz LEJTZHYVLNFCJI-GBESFXJTSA-N 2 1 340.552 3.260 20 0 EGADMP CC[NH+]1CCO[C@@H]2C[N@H+](CC[C@@H](C)CCCC(C)(C)OC)C[C@@H]2C1 ZINC001208205791 1371647143 /nfs/dbraw/zinc/64/71/43/1371647143.db2.gz LEJTZHYVLNFCJI-GBESFXJTSA-N 2 1 340.552 3.260 20 0 EGADMP CC[NH+]1CCO[C@@H]2C[N@@H+](CC[C@@H](C)CCCC(C)(C)OC)C[C@@H]2C1 ZINC001208205791 1371647149 /nfs/dbraw/zinc/64/71/49/1371647149.db2.gz LEJTZHYVLNFCJI-GBESFXJTSA-N 2 1 340.552 3.260 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208331407 1371720239 /nfs/dbraw/zinc/72/02/39/1371720239.db2.gz RPRJCDVSVDFGMW-WOJBJXKFSA-N 2 1 349.563 3.410 20 0 EGADMP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001208331192 1371720305 /nfs/dbraw/zinc/72/03/05/1371720305.db2.gz NIFXRQOLEOCABB-KJYWSYJISA-N 2 1 349.563 3.291 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331727 1371721442 /nfs/dbraw/zinc/72/14/42/1371721442.db2.gz WLNKNZKROQSYKO-RTBURBONSA-N 2 1 337.552 3.410 20 0 EGADMP CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001208460136 1371775576 /nfs/dbraw/zinc/77/55/76/1371775576.db2.gz OWJLIVUYFSIDCP-QGZVFWFLSA-N 2 1 335.536 3.186 20 0 EGADMP CC(C)(C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208588676 1371830360 /nfs/dbraw/zinc/83/03/60/1371830360.db2.gz KIGIHSGRUNOGCB-FQEVSTJZSA-N 2 1 329.532 3.457 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC001208596393 1371834913 /nfs/dbraw/zinc/83/49/13/1371834913.db2.gz MYHVJVGNVOCDAU-CVEARBPZSA-N 2 1 339.524 3.048 20 0 EGADMP Cc1cc(N2CCN(C[C@@H]3CCC[N@H+](C)C3)CC2)c2ccccc2[nH+]1 ZINC001208606452 1371838710 /nfs/dbraw/zinc/83/87/10/1371838710.db2.gz GFZAXSIKBOLXDW-GOSISDBHSA-N 2 1 338.499 3.007 20 0 EGADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(c3noc4ccc(F)cc43)CC2)C1 ZINC001208613222 1371840249 /nfs/dbraw/zinc/84/02/49/1371840249.db2.gz RWDMQXXYOVEDPU-AWEZNQCLSA-N 2 1 331.435 3.488 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208615646 1371841344 /nfs/dbraw/zinc/84/13/44/1371841344.db2.gz IMCMIYQCNVHINT-DFQSSKMNSA-N 2 1 344.499 3.140 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208615646 1371841348 /nfs/dbraw/zinc/84/13/48/1371841348.db2.gz IMCMIYQCNVHINT-DFQSSKMNSA-N 2 1 344.499 3.140 20 0 EGADMP COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208615646 1371841351 /nfs/dbraw/zinc/84/13/51/1371841351.db2.gz IMCMIYQCNVHINT-DFQSSKMNSA-N 2 1 344.499 3.140 20 0 EGADMP C[N@H+]1CCC[C@H](CN2CC[NH+]([C@H]3CCCc4ccccc43)CC2)C1 ZINC001208618092 1371843499 /nfs/dbraw/zinc/84/34/99/1371843499.db2.gz RQVOGDQXGXKEEP-RXVVDRJESA-N 2 1 327.516 3.023 20 0 EGADMP CCC[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208618803 1371845055 /nfs/dbraw/zinc/84/50/55/1371845055.db2.gz SBRZCMFTDLAXHZ-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP CCC[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208618803 1371845057 /nfs/dbraw/zinc/84/50/57/1371845057.db2.gz SBRZCMFTDLAXHZ-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP CCC[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208618803 1371845060 /nfs/dbraw/zinc/84/50/60/1371845060.db2.gz SBRZCMFTDLAXHZ-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP CCC[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208618803 1371845064 /nfs/dbraw/zinc/84/50/64/1371845064.db2.gz SBRZCMFTDLAXHZ-IRXDYDNUSA-N 2 1 339.524 3.050 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001121261658 1371912322 /nfs/dbraw/zinc/91/23/22/1371912322.db2.gz ZLUMJENDIYCWGA-IKQKDXEZSA-N 2 1 349.563 3.314 20 0 EGADMP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001121288319 1371922949 /nfs/dbraw/zinc/92/29/49/1371922949.db2.gz CFNXMXVIACHLHU-JGQKGBITSA-N 2 1 347.547 3.211 20 0 EGADMP OCC[N@@H+](Cc1cccs1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935462 1371951883 /nfs/dbraw/zinc/95/18/83/1371951883.db2.gz JWMGSXUOEJGIHE-LJQANCHMSA-N 2 1 344.524 3.455 20 0 EGADMP OCC[N@H+](Cc1cccs1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935462 1371951887 /nfs/dbraw/zinc/95/18/87/1371951887.db2.gz JWMGSXUOEJGIHE-LJQANCHMSA-N 2 1 344.524 3.455 20 0 EGADMP OCC[NH+](Cc1cccs1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208935462 1371951890 /nfs/dbraw/zinc/95/18/90/1371951890.db2.gz JWMGSXUOEJGIHE-LJQANCHMSA-N 2 1 344.524 3.455 20 0 EGADMP OCC[NH+](Cc1cccs1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208935462 1371951896 /nfs/dbraw/zinc/95/18/96/1371951896.db2.gz JWMGSXUOEJGIHE-LJQANCHMSA-N 2 1 344.524 3.455 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208936668 1371954469 /nfs/dbraw/zinc/95/44/69/1371954469.db2.gz OTTQXYCEZFHIHB-OAQYLSRUSA-N 3 1 329.532 3.172 20 0 EGADMP C[NH+](CC1CC[NH+](C)CC1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208936668 1371954473 /nfs/dbraw/zinc/95/44/73/1371954473.db2.gz OTTQXYCEZFHIHB-OAQYLSRUSA-N 3 1 329.532 3.172 20 0 EGADMP C[NH+](CC1CC[NH+](C)CC1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208936668 1371954477 /nfs/dbraw/zinc/95/44/77/1371954477.db2.gz OTTQXYCEZFHIHB-OAQYLSRUSA-N 3 1 329.532 3.172 20 0 EGADMP C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCN(Cc2ccccc2)C1 ZINC001208936668 1371954482 /nfs/dbraw/zinc/95/44/82/1371954482.db2.gz OTTQXYCEZFHIHB-OAQYLSRUSA-N 2 1 329.532 3.172 20 0 EGADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCN(Cc2ccccc2)C1 ZINC001208936668 1371954485 /nfs/dbraw/zinc/95/44/85/1371954485.db2.gz OTTQXYCEZFHIHB-OAQYLSRUSA-N 2 1 329.532 3.172 20 0 EGADMP FC1(F)CO[C@@]2(CC[N@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208952761 1371960929 /nfs/dbraw/zinc/96/09/29/1371960929.db2.gz KZYOHBBJNABAGM-ROUUACIJSA-N 2 1 336.426 3.009 20 0 EGADMP FC1(F)CO[C@@]2(CC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208952761 1371960933 /nfs/dbraw/zinc/96/09/33/1371960933.db2.gz KZYOHBBJNABAGM-ROUUACIJSA-N 2 1 336.426 3.009 20 0 EGADMP FC1(F)CO[C@@]2(CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208952761 1371960936 /nfs/dbraw/zinc/96/09/36/1371960936.db2.gz KZYOHBBJNABAGM-ROUUACIJSA-N 2 1 336.426 3.009 20 0 EGADMP FC1(F)CO[C@@]2(CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208952761 1371960940 /nfs/dbraw/zinc/96/09/40/1371960940.db2.gz KZYOHBBJNABAGM-ROUUACIJSA-N 2 1 336.426 3.009 20 0 EGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1Cc2ccccc2O1 ZINC001208961563 1371962833 /nfs/dbraw/zinc/96/28/33/1371962833.db2.gz GPDVPNWELFKIGZ-FPOVZHCZSA-N 2 1 336.479 3.444 20 0 EGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1Cc2ccccc2O1 ZINC001208961563 1371962839 /nfs/dbraw/zinc/96/28/39/1371962839.db2.gz GPDVPNWELFKIGZ-FPOVZHCZSA-N 2 1 336.479 3.444 20 0 EGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1Cc2ccccc2O1 ZINC001208961563 1371962845 /nfs/dbraw/zinc/96/28/45/1371962845.db2.gz GPDVPNWELFKIGZ-FPOVZHCZSA-N 2 1 336.479 3.444 20 0 EGADMP C[NH+](C)CCCN1CC[NH+](CCc2ccc(Cl)cc2Cl)CC1 ZINC001209080316 1371992161 /nfs/dbraw/zinc/99/21/61/1371992161.db2.gz BEGAFKNXRHZOPH-UHFFFAOYSA-N 2 1 344.330 3.105 20 0 EGADMP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001121628263 1372030355 /nfs/dbraw/zinc/03/03/55/1372030355.db2.gz ILIVLVPCRMHGRR-KKJGHQMISA-N 2 1 347.547 3.090 20 0 EGADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001209204504 1372037472 /nfs/dbraw/zinc/03/74/72/1372037472.db2.gz IYNWJDXAGHAIHU-OALUTQOASA-N 2 1 337.552 3.269 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001209205056 1372037676 /nfs/dbraw/zinc/03/76/76/1372037676.db2.gz MLWMUDSLAPCGHN-RLWBPELLSA-N 2 1 349.563 3.435 20 0 EGADMP COCCCC[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001209216680 1372041023 /nfs/dbraw/zinc/04/10/23/1372041023.db2.gz PJKKNKPJIMHLFQ-UHFFFAOYSA-N 2 1 343.471 3.091 20 0 EGADMP COCCCC[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001209216680 1372041028 /nfs/dbraw/zinc/04/10/28/1372041028.db2.gz PJKKNKPJIMHLFQ-UHFFFAOYSA-N 2 1 343.471 3.091 20 0 EGADMP COCCCC[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001209216680 1372041031 /nfs/dbraw/zinc/04/10/31/1372041031.db2.gz PJKKNKPJIMHLFQ-UHFFFAOYSA-N 2 1 343.471 3.091 20 0 EGADMP COCCCC[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001209216680 1372041035 /nfs/dbraw/zinc/04/10/35/1372041035.db2.gz PJKKNKPJIMHLFQ-UHFFFAOYSA-N 2 1 343.471 3.091 20 0 EGADMP COCCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209218712 1372041366 /nfs/dbraw/zinc/04/13/66/1372041366.db2.gz XHGXRJSCEJKIMV-YSIASYRMSA-N 2 1 331.504 3.041 20 0 EGADMP COCCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209218712 1372041371 /nfs/dbraw/zinc/04/13/71/1372041371.db2.gz XHGXRJSCEJKIMV-YSIASYRMSA-N 2 1 331.504 3.041 20 0 EGADMP COCCCC[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209218712 1372041375 /nfs/dbraw/zinc/04/13/75/1372041375.db2.gz XHGXRJSCEJKIMV-YSIASYRMSA-N 2 1 331.504 3.041 20 0 EGADMP COCCCC[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209218712 1372041376 /nfs/dbraw/zinc/04/13/76/1372041376.db2.gz XHGXRJSCEJKIMV-YSIASYRMSA-N 2 1 331.504 3.041 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC2(C1)CC([NH2+]CCCC1CCC1)C2 ZINC001121767391 1372074962 /nfs/dbraw/zinc/07/49/62/1372074962.db2.gz DNWDSVAREQYVPN-GICSWVMSSA-N 2 1 347.547 3.068 20 0 EGADMP CC[NH+]1CCC([N@H+](C)CCCCCNC(=O)OC(C)(C)C)CC1 ZINC001209373850 1372081028 /nfs/dbraw/zinc/08/10/28/1372081028.db2.gz ROPZDMZNFVAARU-UHFFFAOYSA-N 2 1 327.513 3.098 20 0 EGADMP CC[NH+]1CCC([N@@H+](C)CCCCCNC(=O)OC(C)(C)C)CC1 ZINC001209373850 1372081035 /nfs/dbraw/zinc/08/10/35/1372081035.db2.gz ROPZDMZNFVAARU-UHFFFAOYSA-N 2 1 327.513 3.098 20 0 EGADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](C[C@H]4C[C@H]4C)CC3)C2)c1 ZINC001209415458 1372099737 /nfs/dbraw/zinc/09/97/37/1372099737.db2.gz ORCNRYLIVQJFHH-IEBWSBKVSA-N 2 1 344.499 3.018 20 0 EGADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](C[C@H]4C[C@H]4C)CC3)C2)c1 ZINC001209415458 1372099741 /nfs/dbraw/zinc/09/97/41/1372099741.db2.gz ORCNRYLIVQJFHH-IEBWSBKVSA-N 2 1 344.499 3.018 20 0 EGADMP C[C@@H]1C[C@H]1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001209417697 1372100788 /nfs/dbraw/zinc/10/07/88/1372100788.db2.gz XDHJOOORQGRECS-YZGWKJHDSA-N 2 1 328.500 3.398 20 0 EGADMP CC1(C)[N@@H+](CCC[NH+]2CCCCC2)CC[C@@]12c1ccccc1OC2=O ZINC001209453115 1372110587 /nfs/dbraw/zinc/11/05/87/1372110587.db2.gz YRBPPQKPSZGYRX-NRFANRHFSA-N 2 1 342.483 3.204 20 0 EGADMP CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001121895278 1372116629 /nfs/dbraw/zinc/11/66/29/1372116629.db2.gz DLAOSVXHWJHJEF-FAFJLIIVSA-N 2 1 347.547 3.066 20 0 EGADMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001209632928 1372156922 /nfs/dbraw/zinc/15/69/22/1372156922.db2.gz PETJWGUVXUFHNS-MJGOQNOKSA-N 2 1 335.536 3.022 20 0 EGADMP C[N@H+]1CC[C@@H](CC(=O)NC2CC3(C2)CC([NH2+]CCCC(C)(C)C)C3)C1 ZINC001122056818 1372164412 /nfs/dbraw/zinc/16/44/12/1372164412.db2.gz SDWRCWRKFMGYLJ-GUYFDXGHSA-N 2 1 349.563 3.172 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CCCC(C)C)C2 ZINC001122101766 1372175017 /nfs/dbraw/zinc/17/50/17/1372175017.db2.gz ZFYIQWWCQSKMKU-UHFFFAOYSA-N 2 1 337.552 3.172 20 0 EGADMP [NH3+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c2ccccc21 ZINC001122194144 1372198378 /nfs/dbraw/zinc/19/83/78/1372198378.db2.gz NWLVMAHRHIUFJN-WIYYLYMNSA-N 2 1 349.478 3.130 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001210132399 1372277570 /nfs/dbraw/zinc/27/75/70/1372277570.db2.gz ARRRUNHNGRYDSL-IBGZPJMESA-N 2 1 346.519 3.133 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210416160 1372346782 /nfs/dbraw/zinc/34/67/82/1372346782.db2.gz JGTDGSGGDXPOKY-RLLQIKCJSA-N 2 1 345.531 3.306 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[NH2+][C@@H](C)CC3)cc2)cc1 ZINC001210518205 1372371011 /nfs/dbraw/zinc/37/10/11/1372371011.db2.gz CUFJKDGJBUBPKW-INIZCTEOSA-N 2 1 338.451 3.324 20 0 EGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[NH2+][C@@H](C)CC3)cc2)cc1 ZINC001210518205 1372371013 /nfs/dbraw/zinc/37/10/13/1372371013.db2.gz CUFJKDGJBUBPKW-INIZCTEOSA-N 2 1 338.451 3.324 20 0 EGADMP Nc1cc[nH+]c(-c2cc(NC3=CC[C@@H]([NH+]4CCCC4)CC3)ccn2)c1 ZINC001210706341 1372410594 /nfs/dbraw/zinc/41/05/94/1372410594.db2.gz WHQOOMYRJFKFEI-GOSISDBHSA-N 2 1 335.455 3.092 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001210782340 1372425887 /nfs/dbraw/zinc/42/58/87/1372425887.db2.gz LRLKPQPGVHYTED-LJQANCHMSA-N 2 1 337.552 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC001210811132 1372430368 /nfs/dbraw/zinc/43/03/68/1372430368.db2.gz JRNSBOXBGGWQBV-OALUTQOASA-N 2 1 349.494 3.199 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001211283768 1372520354 /nfs/dbraw/zinc/52/03/54/1372520354.db2.gz IYKLVKNHJVFDMG-MOPGFXCFSA-N 2 1 345.531 3.285 20 0 EGADMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444314 1372560175 /nfs/dbraw/zinc/56/01/75/1372560175.db2.gz UPXUENQCOGRGEQ-RTBURBONSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc3ncccc3c2)no1 ZINC001212145441 1372663701 /nfs/dbraw/zinc/66/37/01/1372663701.db2.gz VBYBEMLPMMCGME-INIZCTEOSA-N 2 1 339.443 3.453 20 0 EGADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ncccc2C2CC2)no1 ZINC001212145382 1372663812 /nfs/dbraw/zinc/66/38/12/1372663812.db2.gz RHLSHGRHOPXPHJ-HNNXBMFYSA-N 2 1 329.448 3.177 20 0 EGADMP CC(=O)c1ccccc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212145515 1372663928 /nfs/dbraw/zinc/66/39/28/1372663928.db2.gz VQVMFEUHHFUDJD-INIZCTEOSA-N 2 1 330.432 3.107 20 0 EGADMP C[NH+]1CCC(COc2ccc(F)cc2Nc2ccc[nH+]c2N)CC1 ZINC001212408913 1372701771 /nfs/dbraw/zinc/70/17/71/1372701771.db2.gz SPUMHJYLCJDEFW-UHFFFAOYSA-N 2 1 330.407 3.267 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001326520148 1388227297 /nfs/dbraw/zinc/22/72/97/1388227297.db2.gz WRZNGLMQXZCEQH-SJORKVTESA-N 2 1 348.560 3.263 20 0 EGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cc2n(n1)CCC2 ZINC001326539037 1388232764 /nfs/dbraw/zinc/23/27/64/1388232764.db2.gz IYUYKRARIXCFJV-GHTZIAJQSA-N 2 1 338.499 3.001 20 0 EGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc2n(n1)CCC2 ZINC001326539037 1388232768 /nfs/dbraw/zinc/23/27/68/1388232768.db2.gz IYUYKRARIXCFJV-GHTZIAJQSA-N 2 1 338.499 3.001 20 0 EGADMP O=C(NCC[NH2+]CCC1CCCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356561 1373118758 /nfs/dbraw/zinc/11/87/58/1373118758.db2.gz HNIHBOIXVWWBFK-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCC2)C1 ZINC001214853301 1373130026 /nfs/dbraw/zinc/13/00/26/1373130026.db2.gz XZHZKBSGOBTTFB-YZGWKJHDSA-N 2 1 349.563 3.266 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+]CC1CCCCCC1 ZINC001127675935 1373157758 /nfs/dbraw/zinc/15/77/58/1373157758.db2.gz VIWRJUGOKBPUHC-INIZCTEOSA-N 2 1 334.508 3.073 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+][C@@H](CC)c1ccccc1 ZINC001127678269 1373158342 /nfs/dbraw/zinc/15/83/42/1373158342.db2.gz ACBACFKUASAZHO-WMZOPIPTSA-N 2 1 342.487 3.254 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001216844601 1373349991 /nfs/dbraw/zinc/34/99/91/1373349991.db2.gz GTYDKEZKIXPASY-KURKYZTESA-N 2 1 337.552 3.124 20 0 EGADMP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216851018 1373350595 /nfs/dbraw/zinc/35/05/95/1373350595.db2.gz YCMDFSXSLWCNDU-SUOBQJEYSA-N 2 1 343.515 3.082 20 0 EGADMP C[C@H]([NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)c1ccc(C(C)(C)C)cc1 ZINC001129535362 1373394638 /nfs/dbraw/zinc/39/46/38/1373394638.db2.gz OLENGHXLRUSACP-INIZCTEOSA-N 2 1 345.531 3.235 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217697732 1373490100 /nfs/dbraw/zinc/49/01/00/1373490100.db2.gz RQUNYDAJNSBRLP-OALUTQOASA-N 2 1 348.450 3.302 20 0 EGADMP [NH3+][C@@H](Cc1ccccc1)c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217697732 1373490102 /nfs/dbraw/zinc/49/01/02/1373490102.db2.gz RQUNYDAJNSBRLP-OALUTQOASA-N 2 1 348.450 3.302 20 0 EGADMP C[C@@H]1CC[C@H](c2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)[NH2+]C1 ZINC001217704236 1373490957 /nfs/dbraw/zinc/49/09/57/1373490957.db2.gz ZENZOLYHVLLXQQ-DJIMGWMZSA-N 2 1 326.444 3.120 20 0 EGADMP C[C@@H]1CC[C@H](c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)[NH2+]C1 ZINC001217704236 1373490961 /nfs/dbraw/zinc/49/09/61/1373490961.db2.gz ZENZOLYHVLLXQQ-DJIMGWMZSA-N 2 1 326.444 3.120 20 0 EGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](OCC[C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC001217931243 1373513771 /nfs/dbraw/zinc/51/37/71/1373513771.db2.gz STKKEPOUABILRN-WJMWBRGCSA-N 2 1 328.500 3.303 20 0 EGADMP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ccc(C(=O)C[NH3+])cc1 ZINC001217968443 1373521682 /nfs/dbraw/zinc/52/16/82/1373521682.db2.gz YGYZUAKVJYNWPQ-IIBYNOLFSA-N 2 1 338.451 3.117 20 0 EGADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ccc(C(=O)C[NH3+])cc1 ZINC001217968443 1373521685 /nfs/dbraw/zinc/52/16/85/1373521685.db2.gz YGYZUAKVJYNWPQ-IIBYNOLFSA-N 2 1 338.451 3.117 20 0 EGADMP c1ccc(C[N@@H+]2CCc3nc(O[C@@H]4C[C@H]5CC[C@@H](C4)[NH2+]5)ccc3C2)cc1 ZINC001218183372 1373573947 /nfs/dbraw/zinc/57/39/47/1373573947.db2.gz AVKVQMKVTXFHHN-ACDBMABISA-N 2 1 349.478 3.302 20 0 EGADMP c1ccc(C[N@H+]2CCc3nc(O[C@@H]4C[C@H]5CC[C@@H](C4)[NH2+]5)ccc3C2)cc1 ZINC001218183372 1373573958 /nfs/dbraw/zinc/57/39/58/1373573958.db2.gz AVKVQMKVTXFHHN-ACDBMABISA-N 2 1 349.478 3.302 20 0 EGADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001130708786 1373583369 /nfs/dbraw/zinc/58/33/69/1373583369.db2.gz HVOKAXNFPIQPEF-QUCCMNQESA-N 2 1 345.531 3.191 20 0 EGADMP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001221841963 1373796659 /nfs/dbraw/zinc/79/66/59/1373796659.db2.gz QFLDICXXOHPQBA-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001221841963 1373796662 /nfs/dbraw/zinc/79/66/62/1373796662.db2.gz QFLDICXXOHPQBA-QZTJIDSGSA-N 2 1 346.519 3.120 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@H](C)CC)C[C@H]21 ZINC001221876658 1373801302 /nfs/dbraw/zinc/80/13/02/1373801302.db2.gz NKEBTLKZUFZKDL-GUDVDZBRSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](C[C@H](C)CC)C[C@H]21 ZINC001221876658 1373801306 /nfs/dbraw/zinc/80/13/06/1373801306.db2.gz NKEBTLKZUFZKDL-GUDVDZBRSA-N 2 1 337.552 3.077 20 0 EGADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](C[C@H](C)CC)C[C@H]21 ZINC001221876658 1373801315 /nfs/dbraw/zinc/80/13/15/1373801315.db2.gz NKEBTLKZUFZKDL-GUDVDZBRSA-N 2 1 337.552 3.077 20 0 EGADMP CCc1ccc(C[NH2+]CCNC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC001131819232 1373820498 /nfs/dbraw/zinc/82/04/98/1373820498.db2.gz QBUJRGKYKDOKCZ-UHFFFAOYSA-N 2 1 345.531 3.109 20 0 EGADMP c1ccc(C[N@@H+]2CC[C@@H](CN3CCC[C@@]4(CCCC[NH2+]4)C3)C2)cc1 ZINC001222385758 1373831881 /nfs/dbraw/zinc/83/18/81/1373831881.db2.gz VZIWRBJHZRXZPO-RTWAWAEBSA-N 2 1 327.516 3.117 20 0 EGADMP Clc1sc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c2ccccc12 ZINC001222515701 1373851009 /nfs/dbraw/zinc/85/10/09/1373851009.db2.gz YBUAELRKPCDCIA-GJZGRUSLSA-N 2 1 335.904 3.081 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001225245708 1375098972 /nfs/dbraw/zinc/09/89/72/1375098972.db2.gz WHXXTUUHRBXFBH-GOSISDBHSA-N 2 1 339.568 3.229 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NCC1CC[NH+](CC2CCCCC2)CC1 ZINC001225244652 1375099504 /nfs/dbraw/zinc/09/95/04/1375099504.db2.gz KSBBKPNTMGKHCM-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP Cc1cc[nH+]c(N2CCC(Oc3ccc(C[NH+](C)C)cc3)CC2)c1 ZINC001225334450 1375105767 /nfs/dbraw/zinc/10/57/67/1375105767.db2.gz UGTXDJVANXNBQH-UHFFFAOYSA-N 2 1 325.456 3.499 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]cn2)C[N@H+]1CCCC(C)(C)C ZINC001132090334 1375139605 /nfs/dbraw/zinc/13/96/05/1375139605.db2.gz GNCVXDJGRAOBCF-NVXWUHKLSA-N 2 1 334.508 3.138 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCc2cnc[nH]2)C[N@@H+]1CCCC(C)(C)C ZINC001132090334 1375139607 /nfs/dbraw/zinc/13/96/07/1375139607.db2.gz GNCVXDJGRAOBCF-NVXWUHKLSA-N 2 1 334.508 3.138 20 0 EGADMP C[C@@H]1CC[C@@H](NC(=O)CCc2cnc[nH]2)C[N@H+]1CCCC(C)(C)C ZINC001132090334 1375139611 /nfs/dbraw/zinc/13/96/11/1375139611.db2.gz GNCVXDJGRAOBCF-NVXWUHKLSA-N 2 1 334.508 3.138 20 0 EGADMP CCCCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001132140418 1375167528 /nfs/dbraw/zinc/16/75/28/1375167528.db2.gz IHZWQPOOVKJPSW-RDJZCZTQSA-N 2 1 342.487 3.416 20 0 EGADMP C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CCCC(C)(C)C ZINC001132149099 1375170811 /nfs/dbraw/zinc/17/08/11/1375170811.db2.gz FWDHDMDOXCRPPM-ROUUACIJSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[N@H+]1CCCC(C)(C)C ZINC001132149101 1375170982 /nfs/dbraw/zinc/17/09/82/1375170982.db2.gz FWDHDMDOXCRPPM-ZWKOTPCHSA-N 2 1 349.563 3.410 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](CC2=CCCCC2)C1 ZINC001132152513 1375172681 /nfs/dbraw/zinc/17/26/81/1375172681.db2.gz DICBRGQKYLAUBE-FUHWJXTLSA-N 2 1 335.536 3.186 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2=CCCCC2)C1 ZINC001132152513 1375172683 /nfs/dbraw/zinc/17/26/83/1375172683.db2.gz DICBRGQKYLAUBE-FUHWJXTLSA-N 2 1 335.536 3.186 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2=CCCCC2)C1 ZINC001132152513 1375172686 /nfs/dbraw/zinc/17/26/86/1375172686.db2.gz DICBRGQKYLAUBE-FUHWJXTLSA-N 2 1 335.536 3.186 20 0 EGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(C)C ZINC001226323597 1375239937 /nfs/dbraw/zinc/23/99/37/1375239937.db2.gz PEQWYLGZMIRRHP-BRWVUGGUSA-N 2 1 334.508 3.070 20 0 EGADMP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001226334393 1375242067 /nfs/dbraw/zinc/24/20/67/1375242067.db2.gz SWWFHOZXFHDHSI-NJNGULPTSA-N 2 1 335.536 3.090 20 0 EGADMP Cc1cc(C)c(C[N@@H+]2C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)c(C)c1 ZINC001132266468 1375255161 /nfs/dbraw/zinc/25/51/61/1375255161.db2.gz XHQPVPBHAQTGPW-RTBURBONSA-N 2 1 345.531 3.033 20 0 EGADMP CC(C)CCC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001132266722 1375255505 /nfs/dbraw/zinc/25/55/05/1375255505.db2.gz ZDEVYQTVHCDBLY-SJLPKXTDSA-N 2 1 349.519 3.360 20 0 EGADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001132266722 1375255510 /nfs/dbraw/zinc/25/55/10/1375255510.db2.gz ZDEVYQTVHCDBLY-SJLPKXTDSA-N 2 1 349.519 3.360 20 0 EGADMP CCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132309578 1375286346 /nfs/dbraw/zinc/28/63/46/1375286346.db2.gz AAETUYJADPGPMD-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132309578 1375286352 /nfs/dbraw/zinc/28/63/52/1375286352.db2.gz AAETUYJADPGPMD-ROUUACIJSA-N 2 1 337.552 3.268 20 0 EGADMP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001226612939 1375292198 /nfs/dbraw/zinc/29/21/98/1375292198.db2.gz DKVBIKJWQSCEQF-QRVBRYPASA-N 2 1 337.552 3.458 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)Cn2ccnc2C(C)C)CC[C@@H]1C ZINC001132330208 1375308656 /nfs/dbraw/zinc/30/86/56/1375308656.db2.gz CHGZMWNJDOIMLM-PLQXZHKYSA-N 2 1 346.519 3.332 20 0 EGADMP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132330208 1375308660 /nfs/dbraw/zinc/30/86/60/1375308660.db2.gz CHGZMWNJDOIMLM-PLQXZHKYSA-N 2 1 346.519 3.332 20 0 EGADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132330208 1375308667 /nfs/dbraw/zinc/30/86/67/1375308667.db2.gz CHGZMWNJDOIMLM-PLQXZHKYSA-N 2 1 346.519 3.332 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)Cn2ccnc2C(C)C)CC[C@@H]1C ZINC001132330210 1375308731 /nfs/dbraw/zinc/30/87/31/1375308731.db2.gz CHGZMWNJDOIMLM-ZGKJDNBHSA-N 2 1 346.519 3.332 20 0 EGADMP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132330210 1375308736 /nfs/dbraw/zinc/30/87/36/1375308736.db2.gz CHGZMWNJDOIMLM-ZGKJDNBHSA-N 2 1 346.519 3.332 20 0 EGADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132330210 1375308742 /nfs/dbraw/zinc/30/87/42/1375308742.db2.gz CHGZMWNJDOIMLM-ZGKJDNBHSA-N 2 1 346.519 3.332 20 0 EGADMP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001132380849 1375340425 /nfs/dbraw/zinc/34/04/25/1375340425.db2.gz QFKYXHOSOBZHFL-SLVIYJBESA-N 2 1 349.563 3.434 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001226892003 1375353685 /nfs/dbraw/zinc/35/36/85/1375353685.db2.gz XQWMOYWWFQNGHH-IPMKNSEASA-N 2 1 337.552 3.314 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CCCC2CCCC2)C1 ZINC001132410057 1375358788 /nfs/dbraw/zinc/35/87/88/1375358788.db2.gz JHTUQWWNVUJALR-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001132410057 1375358794 /nfs/dbraw/zinc/35/87/94/1375358794.db2.gz JHTUQWWNVUJALR-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001132410057 1375358797 /nfs/dbraw/zinc/35/87/97/1375358797.db2.gz JHTUQWWNVUJALR-PKOBYXMFSA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](Cc2cccc(F)c2)C1 ZINC001132435741 1375379273 /nfs/dbraw/zinc/37/92/73/1375379273.db2.gz FUSBUBHDAWZXND-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cccc(F)c2)C1 ZINC001132435741 1375379280 /nfs/dbraw/zinc/37/92/80/1375379280.db2.gz FUSBUBHDAWZXND-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(F)c2)C1 ZINC001132435741 1375379288 /nfs/dbraw/zinc/37/92/88/1375379288.db2.gz FUSBUBHDAWZXND-LPHOPBHVSA-N 2 1 349.494 3.027 20 0 EGADMP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CCC(C)(C)C ZINC001132436723 1375381448 /nfs/dbraw/zinc/38/14/48/1375381448.db2.gz NCZXRIGTOXJJEY-SJORKVTESA-N 2 1 325.541 3.124 20 0 EGADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1C ZINC001327089795 1388375654 /nfs/dbraw/zinc/37/56/54/1388375654.db2.gz NZDUBGSKXROMGU-QGZVFWFLSA-N 2 1 329.488 3.096 20 0 EGADMP CCC/C=C/CC[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001227876773 1375485664 /nfs/dbraw/zinc/48/56/64/1375485664.db2.gz KOHSTBFLDTVNOO-UEKDZROGSA-N 2 1 335.536 3.188 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001228053343 1375512747 /nfs/dbraw/zinc/51/27/47/1375512747.db2.gz DNOKHLRKAPTXQF-XFXZXTDPSA-N 2 1 343.515 3.011 20 0 EGADMP CC[NH+]1CCC(Oc2ccc(Br)c(C[NH+](C)C)c2)CC1 ZINC001228548548 1375593037 /nfs/dbraw/zinc/59/30/37/1375593037.db2.gz MZLUCHRPOVWPHX-UHFFFAOYSA-N 2 1 341.293 3.374 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001228624235 1375620639 /nfs/dbraw/zinc/62/06/39/1375620639.db2.gz UEPBXFWENFQSRY-QZTJIDSGSA-N 2 1 337.552 3.172 20 0 EGADMP Cc1cc[nH+]c(N2CCC(Oc3ccc4c(c3)CC[N@@H+](C)C4)CC2)c1 ZINC001228943794 1375722575 /nfs/dbraw/zinc/72/25/75/1375722575.db2.gz JWIDVIYKLIHMTF-UHFFFAOYSA-N 2 1 337.467 3.426 20 0 EGADMP Cc1cc[nH+]c(N2CCC(Oc3ccc4c(c3)CC[N@H+](C)C4)CC2)c1 ZINC001228943794 1375722586 /nfs/dbraw/zinc/72/25/86/1375722586.db2.gz JWIDVIYKLIHMTF-UHFFFAOYSA-N 2 1 337.467 3.426 20 0 EGADMP CCCC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133146958 1375806845 /nfs/dbraw/zinc/80/68/45/1375806845.db2.gz NYEHXBKVPJSWOR-ROUUACIJSA-N 2 1 348.535 3.271 20 0 EGADMP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001230274926 1375980528 /nfs/dbraw/zinc/98/05/28/1375980528.db2.gz SXXNVKNCNKJGKF-QRVBRYPASA-N 2 1 337.552 3.314 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1 ZINC001230274798 1375981484 /nfs/dbraw/zinc/98/14/84/1375981484.db2.gz MKAOIQZTVUPMSB-QXAKKESOSA-N 2 1 331.504 3.105 20 0 EGADMP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@H+](C)C(C)C)c(C)c1 ZINC001230284490 1375984972 /nfs/dbraw/zinc/98/49/72/1375984972.db2.gz HJSKLQFECHJPFR-WOJBJXKFSA-N 2 1 345.531 3.161 20 0 EGADMP CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CC[N@@H+](C)CC ZINC001133410668 1375993550 /nfs/dbraw/zinc/99/35/50/1375993550.db2.gz UTIIYRWNTIUFRP-UHFFFAOYSA-N 2 1 339.911 3.010 20 0 EGADMP CC[C@H](C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230611724 1376102592 /nfs/dbraw/zinc/10/25/92/1376102592.db2.gz YZDYPGYMELXHJA-HKUYNNGSSA-N 2 1 337.552 3.077 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001327196833 1388437725 /nfs/dbraw/zinc/43/77/25/1388437725.db2.gz XIUZMEUXIJKEEU-LSTHTHJFSA-N 2 1 343.515 3.195 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CC12CC2 ZINC001232011957 1376382755 /nfs/dbraw/zinc/38/27/55/1376382755.db2.gz QGVBVPGRMDCBDC-MRXNPFEDSA-N 2 1 342.443 3.052 20 0 EGADMP CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CC12CC2 ZINC001232011957 1376382759 /nfs/dbraw/zinc/38/27/59/1376382759.db2.gz QGVBVPGRMDCBDC-MRXNPFEDSA-N 2 1 342.443 3.052 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)CC[C@@]1(O)C(F)(F)F ZINC001232144650 1376408402 /nfs/dbraw/zinc/40/84/02/1376408402.db2.gz MMXXQWXATDXGHL-WBMJQRKESA-N 2 1 348.384 3.023 20 0 EGADMP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001232145535 1376409236 /nfs/dbraw/zinc/40/92/36/1376409236.db2.gz VCKZZQAENJIHFN-UHFFFAOYSA-N 2 1 327.447 3.210 20 0 EGADMP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001134607180 1376622067 /nfs/dbraw/zinc/62/20/67/1376622067.db2.gz FGOSXGYUCAULCH-ROUUACIJSA-N 2 1 345.531 3.161 20 0 EGADMP CCc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001134606964 1376622581 /nfs/dbraw/zinc/62/25/81/1376622581.db2.gz BSXLLFDRMMKLBG-SJORKVTESA-N 2 1 345.531 3.106 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+]CC[C@H]1CCC[C@H](C)C1 ZINC001134725596 1376679915 /nfs/dbraw/zinc/67/99/15/1376679915.db2.gz GWWLTQCEIGEVBO-ZWKOTPCHSA-N 2 1 348.535 3.319 20 0 EGADMP CCCc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001134762985 1376707171 /nfs/dbraw/zinc/70/71/71/1376707171.db2.gz JOIBECNPABNEQA-HXUWFJFHSA-N 2 1 345.531 3.108 20 0 EGADMP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001134762789 1376707433 /nfs/dbraw/zinc/70/74/33/1376707433.db2.gz GTLBCYDATKYUNL-HKUYNNGSSA-N 2 1 331.504 3.025 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CCCC1 ZINC001134773951 1376713319 /nfs/dbraw/zinc/71/33/19/1376713319.db2.gz SENNOOMWRZCSPQ-HZPDHXFCSA-N 2 1 325.541 3.170 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001134773475 1376713563 /nfs/dbraw/zinc/71/35/63/1376713563.db2.gz PLMPMQQAYSJBLV-IRXDYDNUSA-N 2 1 337.552 3.480 20 0 EGADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001134773664 1376714156 /nfs/dbraw/zinc/71/41/56/1376714156.db2.gz QDUKRKCGLHXTJG-ZWKOTPCHSA-N 2 1 347.547 3.141 20 0 EGADMP C[C@H](C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)[NH2+]CC1CCC1 ZINC001134791558 1376725198 /nfs/dbraw/zinc/72/51/98/1376725198.db2.gz TZUBDRFYUYLEKF-CVEARBPZSA-N 2 1 337.552 3.312 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001135029595 1376857238 /nfs/dbraw/zinc/85/72/38/1376857238.db2.gz PBWQBIMTBBEGRO-CVEARBPZSA-N 2 1 334.508 3.035 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135028330 1376857838 /nfs/dbraw/zinc/85/78/38/1376857838.db2.gz FVZGNJUJBDNLRK-JKSUJKDBSA-N 2 1 348.535 3.281 20 0 EGADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)OCCCO2 ZINC001235429189 1376869630 /nfs/dbraw/zinc/86/96/30/1376869630.db2.gz QCIOZZRSQMMYDK-QZTJIDSGSA-N 2 1 330.472 3.060 20 0 EGADMP COc1ccc2c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c[nH]c2c1 ZINC001235429734 1376869923 /nfs/dbraw/zinc/86/99/23/1376869923.db2.gz RERONZQEVPHUQO-HZPDHXFCSA-N 2 1 327.472 3.388 20 0 EGADMP COc1cccc2c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c[nH]c21 ZINC001235428812 1376870883 /nfs/dbraw/zinc/87/08/83/1376870883.db2.gz REEIEQSWKULOJC-CVEARBPZSA-N 2 1 327.472 3.388 20 0 EGADMP Clc1cccn2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)nc12 ZINC001235431291 1376871740 /nfs/dbraw/zinc/87/17/40/1376871740.db2.gz ZHEHUHVFMHAGID-GJZGRUSLSA-N 2 1 332.879 3.199 20 0 EGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001235631991 1376878257 /nfs/dbraw/zinc/87/82/57/1376878257.db2.gz NJMHUWRRGOHZBH-VQTJNVASSA-N 2 1 338.536 3.336 20 0 EGADMP COc1ccc(C[NH+]2CCN(C3(C)CC[NH2+]CC3)CC2)cc1C(C)C ZINC001235815219 1376897760 /nfs/dbraw/zinc/89/77/60/1376897760.db2.gz KAISOUPXUJFEQX-UHFFFAOYSA-N 2 1 345.531 3.078 20 0 EGADMP Cc1cc(F)cc(Br)c1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236005607 1376925014 /nfs/dbraw/zinc/92/50/14/1376925014.db2.gz KMNLCMRFKNHHEW-UHFFFAOYSA-N 2 1 341.268 3.472 20 0 EGADMP CCC[N@@H+](Cc1cc(OCc2ccccc2)ccn1)C[C@H]1CC[NH2+]C1 ZINC001236843260 1376966492 /nfs/dbraw/zinc/96/64/92/1376966492.db2.gz MJHFZOSYSQUXBI-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP CCC[N@H+](Cc1cc(OCc2ccccc2)ccn1)C[C@H]1CC[NH2+]C1 ZINC001236843260 1376966499 /nfs/dbraw/zinc/96/64/99/1376966499.db2.gz MJHFZOSYSQUXBI-IBGZPJMESA-N 2 1 339.483 3.482 20 0 EGADMP CCn1c2ccccc2c2cc(C[N@H+]3CC[C@]4(C3)CNCCO4)ccc21 ZINC001237140901 1376976551 /nfs/dbraw/zinc/97/65/51/1376976551.db2.gz BWQMDSZJZTUFHM-JOCHJYFZSA-N 2 1 349.478 3.379 20 0 EGADMP CCn1c2ccccc2c2cc(CN3CC[C@]4(C3)C[NH2+]CCO4)ccc21 ZINC001237140901 1376976556 /nfs/dbraw/zinc/97/65/56/1376976556.db2.gz BWQMDSZJZTUFHM-JOCHJYFZSA-N 2 1 349.478 3.379 20 0 EGADMP [NH3+]C[C@@]1(O)CCC[N@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001246543290 1377052528 /nfs/dbraw/zinc/05/25/28/1377052528.db2.gz MLCFWSIMUOPSJS-RHSMWYFYSA-N 2 1 343.298 3.026 20 0 EGADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)C3)c1 ZINC001246717469 1377053592 /nfs/dbraw/zinc/05/35/92/1377053592.db2.gz ACRKAMGCNFWOSR-NRDMVMEKSA-N 2 1 343.515 3.149 20 0 EGADMP COC(=O)C1CCC([N@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246937513 1377056336 /nfs/dbraw/zinc/05/63/36/1377056336.db2.gz PKMXYTLTOHJYSR-NKELODKYSA-N 2 1 348.462 3.112 20 0 EGADMP COC(=O)C1CCC([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246937513 1377056341 /nfs/dbraw/zinc/05/63/41/1377056341.db2.gz PKMXYTLTOHJYSR-NKELODKYSA-N 2 1 348.462 3.112 20 0 EGADMP CC[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1ccc(Br)cc1 ZINC001253409107 1377098085 /nfs/dbraw/zinc/09/80/85/1377098085.db2.gz NJZVMTHCFDPYAJ-GJZGRUSLSA-N 2 1 343.309 3.239 20 0 EGADMP C[N@@H+]([C@@H]1CCC[NH+](C)CC1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001254529471 1377106320 /nfs/dbraw/zinc/10/63/20/1377106320.db2.gz GHHLFVCTPUKAKH-VQIMIIECSA-N 2 1 339.524 3.192 20 0 EGADMP C[NH+]([C@@H]1CCC[N@H+](C)CC1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001254529471 1377106321 /nfs/dbraw/zinc/10/63/21/1377106321.db2.gz GHHLFVCTPUKAKH-VQIMIIECSA-N 2 1 339.524 3.192 20 0 EGADMP C[NH+]([C@@H]1CCC[N@@H+](C)CC1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001254529471 1377106322 /nfs/dbraw/zinc/10/63/22/1377106322.db2.gz GHHLFVCTPUKAKH-VQIMIIECSA-N 2 1 339.524 3.192 20 0 EGADMP C[N@H+]1CCC[C@@H](N2CCC3(C[NH+](Cc4ccccc4)C3)CC2)CC1 ZINC001254528036 1377107000 /nfs/dbraw/zinc/10/70/00/1377107000.db2.gz BSKBFQOKKXVBCR-HXUWFJFHSA-N 2 1 327.516 3.069 20 0 EGADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)CC1 ZINC001254528036 1377107001 /nfs/dbraw/zinc/10/70/01/1377107001.db2.gz BSKBFQOKKXVBCR-HXUWFJFHSA-N 3 1 327.516 3.069 20 0 EGADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)CC1 ZINC001254528036 1377107003 /nfs/dbraw/zinc/10/70/03/1377107003.db2.gz BSKBFQOKKXVBCR-HXUWFJFHSA-N 3 1 327.516 3.069 20 0 EGADMP C[C@@H](C[C@H](C)[NH2+]CCc1ccccc1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135475662 1377110209 /nfs/dbraw/zinc/11/02/09/1377110209.db2.gz DNWOWHSBIDOPQN-ROUUACIJSA-N 2 1 347.547 3.080 20 0 EGADMP CC(C)CC[C@@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001256368513 1377111926 /nfs/dbraw/zinc/11/19/26/1377111926.db2.gz ONBKFAQALXAJIA-HMXCVIKNSA-N 2 1 345.531 3.429 20 0 EGADMP CC(C)CC[C@@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001256368513 1377111927 /nfs/dbraw/zinc/11/19/27/1377111927.db2.gz ONBKFAQALXAJIA-HMXCVIKNSA-N 2 1 345.531 3.429 20 0 EGADMP CC(C)CC[C@@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001256368513 1377111928 /nfs/dbraw/zinc/11/19/28/1377111928.db2.gz ONBKFAQALXAJIA-HMXCVIKNSA-N 2 1 345.531 3.429 20 0 EGADMP CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135585942 1377155835 /nfs/dbraw/zinc/15/58/35/1377155835.db2.gz UWODCWYXFOOPSO-ZMJQMOPZSA-N 2 1 334.508 3.236 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC1CCC1 ZINC001135678014 1377180815 /nfs/dbraw/zinc/18/08/15/1377180815.db2.gz AFOBAXBMJHWJGW-IRXDYDNUSA-N 2 1 348.535 3.425 20 0 EGADMP CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678065 1377180846 /nfs/dbraw/zinc/18/08/46/1377180846.db2.gz BCLFWKACGPTTHH-NGHLMZTLSA-N 2 1 334.508 3.201 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001135861143 1377237993 /nfs/dbraw/zinc/23/79/93/1377237993.db2.gz MTVAMDBZEYPEFT-GJZGRUSLSA-N 2 1 339.911 3.055 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001135860805 1377238081 /nfs/dbraw/zinc/23/80/81/1377238081.db2.gz HTIILQQYSMHHGH-RTBURBONSA-N 2 1 347.547 3.327 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001135861925 1377238728 /nfs/dbraw/zinc/23/87/28/1377238728.db2.gz YZEKFGJMGWDEOX-LSDHHAIUSA-N 2 1 347.494 3.027 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266322504 1377273087 /nfs/dbraw/zinc/27/30/87/1377273087.db2.gz IOEQDGZWABOADM-WMLDXEAASA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266322504 1377273090 /nfs/dbraw/zinc/27/30/90/1377273090.db2.gz IOEQDGZWABOADM-WMLDXEAASA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266322504 1377273092 /nfs/dbraw/zinc/27/30/92/1377273092.db2.gz IOEQDGZWABOADM-WMLDXEAASA-N 2 1 349.906 3.076 20 0 EGADMP C[C@@H](c1cccc(Cl)c1)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266322504 1377273094 /nfs/dbraw/zinc/27/30/94/1377273094.db2.gz IOEQDGZWABOADM-WMLDXEAASA-N 2 1 349.906 3.076 20 0 EGADMP CCCc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCC)cc1 ZINC001135981001 1377285984 /nfs/dbraw/zinc/28/59/84/1377285984.db2.gz VYUXXEIFJDJTTD-ZWKOTPCHSA-N 2 1 347.547 3.354 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001135980535 1377286322 /nfs/dbraw/zinc/28/63/22/1377286322.db2.gz PPMKDANNEWQZOO-IRXDYDNUSA-N 2 1 345.531 3.279 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(CC)cc1 ZINC001135996355 1377292153 /nfs/dbraw/zinc/29/21/53/1377292153.db2.gz RSIBTRWGNSBJQF-QZTJIDSGSA-N 2 1 347.547 3.354 20 0 EGADMP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001266360648 1377294897 /nfs/dbraw/zinc/29/48/97/1377294897.db2.gz ALXOGFQZERQDDB-LJQANCHMSA-N 2 1 335.536 3.023 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)Cc1cccc(F)c1 ZINC001266579287 1377336935 /nfs/dbraw/zinc/33/69/35/1377336935.db2.gz LVEYBQCORFWBSX-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)Cc1cccc(F)c1 ZINC001266579287 1377336940 /nfs/dbraw/zinc/33/69/40/1377336940.db2.gz LVEYBQCORFWBSX-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)Cc1cccc(F)c1 ZINC001266579287 1377336943 /nfs/dbraw/zinc/33/69/43/1377336943.db2.gz LVEYBQCORFWBSX-LJQANCHMSA-N 2 1 349.494 3.028 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC001136473379 1377396697 /nfs/dbraw/zinc/39/66/97/1377396697.db2.gz KXQIUKAKMLKUHD-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001137037748 1377462766 /nfs/dbraw/zinc/46/27/66/1377462766.db2.gz WFFYGILJZIFSSW-UHFFFAOYSA-N 2 1 339.483 3.434 20 0 EGADMP C[N@@H+](CCCC1CCCC1)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001267759266 1377468377 /nfs/dbraw/zinc/46/83/77/1377468377.db2.gz WAHHLRVLCMPHRA-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCCC1CCCC1)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001267759266 1377468379 /nfs/dbraw/zinc/46/83/79/1377468379.db2.gz WAHHLRVLCMPHRA-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP C[NH+](CCCC1CCCC1)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267759266 1377468382 /nfs/dbraw/zinc/46/83/82/1377468382.db2.gz WAHHLRVLCMPHRA-FQEVSTJZSA-N 2 1 349.563 3.079 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(CN2CC3(C2)CC[N@H+](CC2CC2)C3)cc1 ZINC001138542333 1377738550 /nfs/dbraw/zinc/73/85/50/1377738550.db2.gz AMOPHUYJQFKROE-UHFFFAOYSA-N 2 1 336.483 3.098 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(CN2CC3(C2)CC[N@@H+](CC2CC2)C3)cc1 ZINC001138542333 1377738551 /nfs/dbraw/zinc/73/85/51/1377738551.db2.gz AMOPHUYJQFKROE-UHFFFAOYSA-N 2 1 336.483 3.098 20 0 EGADMP CCN(C(C)=O)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138549859 1377740200 /nfs/dbraw/zinc/74/02/00/1377740200.db2.gz DVKFATBUGHENOU-UHFFFAOYSA-N 2 1 340.471 3.014 20 0 EGADMP Cc1[nH+]ccn1-c1ccc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)cc1 ZINC001138551482 1377740461 /nfs/dbraw/zinc/74/04/61/1377740461.db2.gz IPOYGQXCOZZXNV-VQTJNVASSA-N 2 1 342.462 3.189 20 0 EGADMP CCCCOC(=O)[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138552180 1377740703 /nfs/dbraw/zinc/74/07/03/1377740703.db2.gz YLMAXOOQDCIJNF-SFHVURJKSA-N 2 1 341.455 3.346 20 0 EGADMP CCCCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138552180 1377740706 /nfs/dbraw/zinc/74/07/06/1377740706.db2.gz YLMAXOOQDCIJNF-SFHVURJKSA-N 2 1 341.455 3.346 20 0 EGADMP CC[NH+](CC)CCN1CC[NH+](Cc2c[nH]c3c2cccc3Cl)CC1 ZINC001138830188 1377793211 /nfs/dbraw/zinc/79/32/11/1377793211.db2.gz HLNJORLJQLYRLR-UHFFFAOYSA-N 2 1 348.922 3.281 20 0 EGADMP COc1cc(O)ccc1C[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC001139137473 1377836559 /nfs/dbraw/zinc/83/65/59/1377836559.db2.gz ATWFSHZFAGIZTO-UHFFFAOYSA-N 2 1 340.467 3.497 20 0 EGADMP COc1cc(O)ccc1C[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC001139137473 1377836563 /nfs/dbraw/zinc/83/65/63/1377836563.db2.gz ATWFSHZFAGIZTO-UHFFFAOYSA-N 2 1 340.467 3.497 20 0 EGADMP CCOc1ccc(C)cc1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001139606533 1377916384 /nfs/dbraw/zinc/91/63/84/1377916384.db2.gz UVQDPGCEGUSFII-UHFFFAOYSA-N 2 1 325.456 3.419 20 0 EGADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]2C1 ZINC001140408535 1378058456 /nfs/dbraw/zinc/05/84/56/1378058456.db2.gz ADNOFPISLAEDQN-SJORKVTESA-N 2 1 342.874 3.181 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]2C1 ZINC001140408535 1378058461 /nfs/dbraw/zinc/05/84/61/1378058461.db2.gz ADNOFPISLAEDQN-SJORKVTESA-N 2 1 342.874 3.181 20 0 EGADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]2C1 ZINC001140408535 1378058463 /nfs/dbraw/zinc/05/84/63/1378058463.db2.gz ADNOFPISLAEDQN-SJORKVTESA-N 2 1 342.874 3.181 20 0 EGADMP CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC1 ZINC001273363556 1378099748 /nfs/dbraw/zinc/09/97/48/1378099748.db2.gz NEZHHKWYXJJNIK-QBUWPKIASA-N 2 1 335.536 3.020 20 0 EGADMP COC(=O)Cc1ccccc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001140653441 1378106212 /nfs/dbraw/zinc/10/62/12/1378106212.db2.gz LCCHAVHIQRISKW-FQEVSTJZSA-N 2 1 344.499 3.243 20 0 EGADMP Cn1cnc2ccc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@@H+]3C)cc21 ZINC001140738825 1378127977 /nfs/dbraw/zinc/12/79/77/1378127977.db2.gz QSKHXPUCJNPRJG-ZWKOTPCHSA-N 2 1 326.488 3.412 20 0 EGADMP Cn1cnc2ccc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@H+]3C)cc21 ZINC001140738825 1378127978 /nfs/dbraw/zinc/12/79/78/1378127978.db2.gz QSKHXPUCJNPRJG-ZWKOTPCHSA-N 2 1 326.488 3.412 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@H]21 ZINC001140801175 1378139629 /nfs/dbraw/zinc/13/96/29/1378139629.db2.gz DPFPXAUYPVSIRW-SUMWQHHRSA-N 2 1 342.443 3.004 20 0 EGADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@H]21 ZINC001140801175 1378139631 /nfs/dbraw/zinc/13/96/31/1378139631.db2.gz DPFPXAUYPVSIRW-SUMWQHHRSA-N 2 1 342.443 3.004 20 0 EGADMP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001275767956 1378156581 /nfs/dbraw/zinc/15/65/81/1378156581.db2.gz LDKZAKJRNUAAQB-SIKLNZKXSA-N 2 1 337.511 3.216 20 0 EGADMP Cc1nccnc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001140939470 1378186179 /nfs/dbraw/zinc/18/61/79/1378186179.db2.gz MWAYPKSZBFBIQU-PMACEKPBSA-N 2 1 336.483 3.129 20 0 EGADMP Cc1cccc(CC[N@H+](C)Cc2ccccc2N2CC[NH+](C)CC2)c1 ZINC001140970995 1378196007 /nfs/dbraw/zinc/19/60/07/1378196007.db2.gz CLMQAARBWHQBCE-UHFFFAOYSA-N 2 1 337.511 3.421 20 0 EGADMP Cc1cc([C@H]2CCC[N@H+]2Cc2ccccc2N2CC[NH+](C)CC2)no1 ZINC001140969210 1378196274 /nfs/dbraw/zinc/19/62/74/1378196274.db2.gz YZKMRGYIABUQNO-HXUWFJFHSA-N 2 1 340.471 3.072 20 0 EGADMP Cc1cc([C@H]2CCC[N@@H+]2Cc2ccccc2N2CC[NH+](C)CC2)no1 ZINC001140969210 1378196279 /nfs/dbraw/zinc/19/62/79/1378196279.db2.gz YZKMRGYIABUQNO-HXUWFJFHSA-N 2 1 340.471 3.072 20 0 EGADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC001140974324 1378197573 /nfs/dbraw/zinc/19/75/73/1378197573.db2.gz ZRWWHOWYUOGJCA-HXUWFJFHSA-N 2 1 336.483 3.171 20 0 EGADMP c1cc2c(cc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)OCCO2 ZINC001141040498 1378216795 /nfs/dbraw/zinc/21/67/95/1378216795.db2.gz JOILVBDSJSQCOI-GOSISDBHSA-N 2 1 330.472 3.298 20 0 EGADMP c1cc2c(cc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)OCCO2 ZINC001141040498 1378216796 /nfs/dbraw/zinc/21/67/96/1378216796.db2.gz JOILVBDSJSQCOI-GOSISDBHSA-N 2 1 330.472 3.298 20 0 EGADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc2c(c1)OCCO2 ZINC001141039841 1378217302 /nfs/dbraw/zinc/21/73/02/1378217302.db2.gz FQFLIAKLTHSSQQ-ZWKOTPCHSA-N 2 1 330.472 3.297 20 0 EGADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc2c(c1)OCCO2 ZINC001141039841 1378217303 /nfs/dbraw/zinc/21/73/03/1378217303.db2.gz FQFLIAKLTHSSQQ-ZWKOTPCHSA-N 2 1 330.472 3.297 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC001141039841 1378217310 /nfs/dbraw/zinc/21/73/10/1378217310.db2.gz FQFLIAKLTHSSQQ-ZWKOTPCHSA-N 2 1 330.472 3.297 20 0 EGADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC001141039841 1378217311 /nfs/dbraw/zinc/21/73/11/1378217311.db2.gz FQFLIAKLTHSSQQ-ZWKOTPCHSA-N 2 1 330.472 3.297 20 0 EGADMP C[N@H+](Cc1ccncc1NC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001141085545 1378236135 /nfs/dbraw/zinc/23/61/35/1378236135.db2.gz KVYJMECLJMKBEP-UHFFFAOYSA-N 2 1 348.491 3.202 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[C@]12CC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2)C(C)C ZINC001278148779 1378260379 /nfs/dbraw/zinc/26/03/79/1378260379.db2.gz PWWAHSPMYDRDIQ-SVFBPWRDSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[C@]12CC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2)C(C)C ZINC001278148779 1378260384 /nfs/dbraw/zinc/26/03/84/1378260384.db2.gz PWWAHSPMYDRDIQ-SVFBPWRDSA-N 2 1 349.563 3.077 20 0 EGADMP CCN(C(=O)[C@@H]1CCC[C@]12CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2)C(C)C ZINC001278148779 1378260388 /nfs/dbraw/zinc/26/03/88/1378260388.db2.gz PWWAHSPMYDRDIQ-SVFBPWRDSA-N 2 1 349.563 3.077 20 0 EGADMP CCc1ccccc1C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001141229735 1378277507 /nfs/dbraw/zinc/27/75/07/1378277507.db2.gz PUSTYHLZRXLWQK-LJQANCHMSA-N 2 1 344.499 3.098 20 0 EGADMP CCc1ccccc1C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001141229735 1378277510 /nfs/dbraw/zinc/27/75/10/1378277510.db2.gz PUSTYHLZRXLWQK-LJQANCHMSA-N 2 1 344.499 3.098 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC001280770501 1378372284 /nfs/dbraw/zinc/37/22/84/1378372284.db2.gz QYGFMAOYSRJMEB-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2cccc(F)c2)CC1 ZINC001280770501 1378372290 /nfs/dbraw/zinc/37/22/90/1378372290.db2.gz QYGFMAOYSRJMEB-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2cccc(F)c2)CC1 ZINC001280770501 1378372293 /nfs/dbraw/zinc/37/22/93/1378372293.db2.gz QYGFMAOYSRJMEB-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001142184407 1378419071 /nfs/dbraw/zinc/41/90/71/1378419071.db2.gz CFMKIFFTGZDXJW-UHFFFAOYSA-N 2 1 341.503 3.281 20 0 EGADMP C[C@H](c1ccccc1)[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001282494823 1378513221 /nfs/dbraw/zinc/51/32/21/1378513221.db2.gz QOOOCGDGUPWXLX-RBUKOAKNSA-N 2 1 345.531 3.450 20 0 EGADMP CC(C)CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001282667231 1378540307 /nfs/dbraw/zinc/54/03/07/1378540307.db2.gz XDXYLLLOIGRERJ-MOPGFXCFSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)CCC(C)(C)C ZINC001143140075 1378546303 /nfs/dbraw/zinc/54/63/03/1378546303.db2.gz ICJPONZGKZZWFC-ROUUACIJSA-N 2 1 339.568 3.323 20 0 EGADMP Cc1cc(C)cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)c1 ZINC001146590772 1378872412 /nfs/dbraw/zinc/87/24/12/1378872412.db2.gz AFZDOBZOYRNJSM-QZTJIDSGSA-N 2 1 333.520 3.017 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001146593041 1378873747 /nfs/dbraw/zinc/87/37/47/1378873747.db2.gz MSXKXGDMIGCHDW-IRXDYDNUSA-N 2 1 325.541 3.170 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCc1ccccc1 ZINC001146591917 1378874046 /nfs/dbraw/zinc/87/40/46/1378874046.db2.gz IHCMMXDHUBGHBT-RBUKOAKNSA-N 2 1 347.547 3.222 20 0 EGADMP CCc1ccc(CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001146599603 1378874632 /nfs/dbraw/zinc/87/46/32/1378874632.db2.gz CGDCCQNXMRZBCS-MSOLQXFVSA-N 2 1 347.547 3.005 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001146595451 1378874748 /nfs/dbraw/zinc/87/47/48/1378874748.db2.gz ZQYCWISDDGBXSZ-SJORKVTESA-N 2 1 325.541 3.170 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001146594824 1378874781 /nfs/dbraw/zinc/87/47/81/1378874781.db2.gz VFSZOQIIOPKRFE-HUUCEWRRSA-N 2 1 339.911 3.053 20 0 EGADMP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706561 1378904195 /nfs/dbraw/zinc/90/41/95/1378904195.db2.gz HAWCTHZHUKCFSP-MSOLQXFVSA-N 2 1 333.520 3.182 20 0 EGADMP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706561 1378904205 /nfs/dbraw/zinc/90/42/05/1378904205.db2.gz HAWCTHZHUKCFSP-MSOLQXFVSA-N 2 1 333.520 3.182 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1ccccc1F ZINC001147359182 1379008323 /nfs/dbraw/zinc/00/83/23/1379008323.db2.gz NGDDQJYJXDGUDY-VQIMIIECSA-N 2 1 349.494 3.247 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC1CCCCCC1 ZINC001147358554 1379008420 /nfs/dbraw/zinc/00/84/20/1379008420.db2.gz GPYQZOVPIBSMBU-LJQANCHMSA-N 2 1 337.552 3.317 20 0 EGADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH2+]CCC1CCCCC1)c1ccccc1 ZINC001147457031 1379025234 /nfs/dbraw/zinc/02/52/34/1379025234.db2.gz CJGUBJSNPIVWRJ-HXUWFJFHSA-N 2 1 345.531 3.356 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001147658167 1379057107 /nfs/dbraw/zinc/05/71/07/1379057107.db2.gz IRJQGRGUBJGGGL-OVKVCFKUSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001147658167 1379057110 /nfs/dbraw/zinc/05/71/10/1379057110.db2.gz IRJQGRGUBJGGGL-OVKVCFKUSA-N 2 1 347.547 3.142 20 0 EGADMP CCC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001147658167 1379057117 /nfs/dbraw/zinc/05/71/17/1379057117.db2.gz IRJQGRGUBJGGGL-OVKVCFKUSA-N 2 1 347.547 3.142 20 0 EGADMP CC[C@@H](C)C[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147993593 1379104505 /nfs/dbraw/zinc/10/45/05/1379104505.db2.gz XINRWRIHBDAYRR-GOSISDBHSA-N 2 1 349.563 3.079 20 0 EGADMP CC(C)CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148385842 1379161426 /nfs/dbraw/zinc/16/14/26/1379161426.db2.gz RHTZADAIBWOTQH-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001148385842 1379161428 /nfs/dbraw/zinc/16/14/28/1379161428.db2.gz RHTZADAIBWOTQH-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001148385842 1379161431 /nfs/dbraw/zinc/16/14/31/1379161431.db2.gz RHTZADAIBWOTQH-LJQANCHMSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@H+]1CCC[C@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC001327781260 1388595482 /nfs/dbraw/zinc/59/54/82/1388595482.db2.gz KIXBKLDZBYLNHM-CQSZACIVSA-N 2 1 342.409 3.051 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC1CCCCCC1)C2 ZINC001148657193 1379236120 /nfs/dbraw/zinc/23/61/20/1379236120.db2.gz PJISJALPQIAFJU-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CC1CCCCCC1)C2 ZINC001148657193 1379236125 /nfs/dbraw/zinc/23/61/25/1379236125.db2.gz PJISJALPQIAFJU-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CC1CCCCCC1)C2 ZINC001148657193 1379236128 /nfs/dbraw/zinc/23/61/28/1379236128.db2.gz PJISJALPQIAFJU-UHFFFAOYSA-N 2 1 349.563 3.223 20 0 EGADMP CCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001148833780 1379279227 /nfs/dbraw/zinc/27/92/27/1379279227.db2.gz JKCIGAXHFKVLHH-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP CCCCC[N@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001148833780 1379279229 /nfs/dbraw/zinc/27/92/29/1379279229.db2.gz JKCIGAXHFKVLHH-IBGZPJMESA-N 2 1 343.515 3.014 20 0 EGADMP CC[N@@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313474 1380054079 /nfs/dbraw/zinc/05/40/79/1380054079.db2.gz SFBMJYHXELFGKO-UYAOXDASSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](Cc1cccc(C)c1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153313474 1380054082 /nfs/dbraw/zinc/05/40/82/1380054082.db2.gz SFBMJYHXELFGKO-UYAOXDASSA-N 2 1 345.531 3.194 20 0 EGADMP CC[NH+](Cc1cccc(C)c1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153313474 1380054087 /nfs/dbraw/zinc/05/40/87/1380054087.db2.gz SFBMJYHXELFGKO-UYAOXDASSA-N 2 1 345.531 3.194 20 0 EGADMP C[C@H]1CCC[C@H](CC[NH2+]CCNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001153321031 1380055100 /nfs/dbraw/zinc/05/51/00/1380055100.db2.gz SLBXOARBKDHKSX-RBUKOAKNSA-N 2 1 345.531 3.041 20 0 EGADMP C[C@H]1CCC[C@H](CC[NH2+]CCNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001153321031 1380055107 /nfs/dbraw/zinc/05/51/07/1380055107.db2.gz SLBXOARBKDHKSX-RBUKOAKNSA-N 2 1 345.531 3.041 20 0 EGADMP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153818831 1380136242 /nfs/dbraw/zinc/13/62/42/1380136242.db2.gz CAKDFKHEWXUZFO-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CC1CCCC1)[C@H](C)CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001153818831 1380136244 /nfs/dbraw/zinc/13/62/44/1380136244.db2.gz CAKDFKHEWXUZFO-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[NH+](CC1CCCC1)[C@H](C)CNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001153818831 1380136245 /nfs/dbraw/zinc/13/62/45/1380136245.db2.gz CAKDFKHEWXUZFO-MJGOQNOKSA-N 2 1 337.552 3.266 20 0 EGADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990867 1380172682 /nfs/dbraw/zinc/17/26/82/1380172682.db2.gz VOILUBNUTCFJOR-GOSISDBHSA-N 2 1 349.563 3.269 20 0 EGADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC(C)(C)CC1)[NH+](C)C ZINC001154001701 1380174923 /nfs/dbraw/zinc/17/49/23/1380174923.db2.gz VCJHYPPBEPRJIR-SJLPKXTDSA-N 2 1 339.568 3.370 20 0 EGADMP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033698 1380187089 /nfs/dbraw/zinc/18/70/89/1380187089.db2.gz JTMJPXYDBJDDCQ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154033698 1380187091 /nfs/dbraw/zinc/18/70/91/1380187091.db2.gz JTMJPXYDBJDDCQ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154033698 1380187093 /nfs/dbraw/zinc/18/70/93/1380187093.db2.gz JTMJPXYDBJDDCQ-QUCCMNQESA-N 2 1 345.531 3.114 20 0 EGADMP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033640 1380187328 /nfs/dbraw/zinc/18/73/28/1380187328.db2.gz HQXGCWZYMSEQGG-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154033640 1380187331 /nfs/dbraw/zinc/18/73/31/1380187331.db2.gz HQXGCWZYMSEQGG-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154033640 1380187334 /nfs/dbraw/zinc/18/73/34/1380187334.db2.gz HQXGCWZYMSEQGG-IEBWSBKVSA-N 2 1 337.552 3.268 20 0 EGADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C)c(C)c1 ZINC001154069937 1380198319 /nfs/dbraw/zinc/19/83/19/1380198319.db2.gz PLOOVZSDUFGKQI-GOSISDBHSA-N 2 1 347.547 3.360 20 0 EGADMP CC[NH+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154069937 1380198321 /nfs/dbraw/zinc/19/83/21/1380198321.db2.gz PLOOVZSDUFGKQI-GOSISDBHSA-N 2 1 347.547 3.360 20 0 EGADMP CC[NH+](Cc1ccc(C)c(C)c1)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154069937 1380198323 /nfs/dbraw/zinc/19/83/23/1380198323.db2.gz PLOOVZSDUFGKQI-GOSISDBHSA-N 2 1 347.547 3.360 20 0 EGADMP CC[N@@H+](CC[C@H](C)F)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099958 1380207110 /nfs/dbraw/zinc/20/71/10/1380207110.db2.gz WAGFYVMFZKASIJ-JKSUJKDBSA-N 2 1 343.531 3.214 20 0 EGADMP CC[NH+](CC[C@H](C)F)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001154099958 1380207111 /nfs/dbraw/zinc/20/71/11/1380207111.db2.gz WAGFYVMFZKASIJ-JKSUJKDBSA-N 2 1 343.531 3.214 20 0 EGADMP CC[NH+](CC[C@H](C)F)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001154099958 1380207115 /nfs/dbraw/zinc/20/71/15/1380207115.db2.gz WAGFYVMFZKASIJ-JKSUJKDBSA-N 2 1 343.531 3.214 20 0 EGADMP CC[C@@H](F)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099527 1380207938 /nfs/dbraw/zinc/20/79/38/1380207938.db2.gz LDHHPMUVYLPWOU-HZPDHXFCSA-N 2 1 343.531 3.214 20 0 EGADMP CC[C@@H](F)C[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001154099527 1380207943 /nfs/dbraw/zinc/20/79/43/1380207943.db2.gz LDHHPMUVYLPWOU-HZPDHXFCSA-N 2 1 343.531 3.214 20 0 EGADMP CC[C@@H](F)C[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001154099527 1380207947 /nfs/dbraw/zinc/20/79/47/1380207947.db2.gz LDHHPMUVYLPWOU-HZPDHXFCSA-N 2 1 343.531 3.214 20 0 EGADMP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455626 1380281283 /nfs/dbraw/zinc/28/12/83/1380281283.db2.gz WPCHJNCUEPTGGG-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@@H+](CC1CCC(C)CC1)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154715740 1380338429 /nfs/dbraw/zinc/33/84/29/1380338429.db2.gz XHIJFYVANZBDPI-CHPDAQJUSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CCC(C)CC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154715740 1380338431 /nfs/dbraw/zinc/33/84/31/1380338431.db2.gz XHIJFYVANZBDPI-CHPDAQJUSA-N 2 1 337.552 3.124 20 0 EGADMP CC[NH+](CC1CCC(C)CC1)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154715740 1380338435 /nfs/dbraw/zinc/33/84/35/1380338435.db2.gz XHIJFYVANZBDPI-CHPDAQJUSA-N 2 1 337.552 3.124 20 0 EGADMP CC[N@H+]1CCCC[C@H]1c1ccc(-n2cncc2C2CC[NH2+]CC2)nc1 ZINC001155062511 1380401077 /nfs/dbraw/zinc/40/10/77/1380401077.db2.gz DGJZZHQVJSAZAY-SFHVURJKSA-N 2 1 339.487 3.281 20 0 EGADMP CC[N@@H+](CCCc1ccccc1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155085787 1380405861 /nfs/dbraw/zinc/40/58/61/1380405861.db2.gz SNOPXQSYBADQNN-UYAOXDASSA-N 2 1 347.547 3.032 20 0 EGADMP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155227086 1380426740 /nfs/dbraw/zinc/42/67/40/1380426740.db2.gz UAJGEZBTQLGYTA-ZWKOTPCHSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155227086 1380426741 /nfs/dbraw/zinc/42/67/41/1380426741.db2.gz UAJGEZBTQLGYTA-ZWKOTPCHSA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CCC1=CCCCC1)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155227086 1380426742 /nfs/dbraw/zinc/42/67/42/1380426742.db2.gz UAJGEZBTQLGYTA-ZWKOTPCHSA-N 2 1 335.536 3.188 20 0 EGADMP COc1cc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)[nH+]c2ccccc21 ZINC001155384278 1380444221 /nfs/dbraw/zinc/44/42/21/1380444221.db2.gz OZRDVXODOORLCT-HNNXBMFYSA-N 2 1 341.455 3.204 20 0 EGADMP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825862 1380495924 /nfs/dbraw/zinc/49/59/24/1380495924.db2.gz UYUQHEHKUVGCCU-QGZVFWFLSA-N 2 1 336.524 3.379 20 0 EGADMP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825862 1380495925 /nfs/dbraw/zinc/49/59/25/1380495925.db2.gz UYUQHEHKUVGCCU-QGZVFWFLSA-N 2 1 336.524 3.379 20 0 EGADMP COc1ccc2c(C)cc(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)[nH+]c2c1 ZINC001155826768 1380496274 /nfs/dbraw/zinc/49/62/74/1380496274.db2.gz RLECGDULMVCTHA-AZUAARDMSA-N 2 1 341.455 3.265 20 0 EGADMP CC[N@@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155993925 1380511545 /nfs/dbraw/zinc/51/15/45/1380511545.db2.gz AWGMPKGYQMVNHU-LJQANCHMSA-N 2 1 345.531 3.054 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001156306689 1380555156 /nfs/dbraw/zinc/55/51/56/1380555156.db2.gz VRHAIDIYVIQNAQ-MSOLQXFVSA-N 2 1 325.541 3.268 20 0 EGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001156306689 1380555158 /nfs/dbraw/zinc/55/51/58/1380555158.db2.gz VRHAIDIYVIQNAQ-MSOLQXFVSA-N 2 1 325.541 3.268 20 0 EGADMP CCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001156306689 1380555160 /nfs/dbraw/zinc/55/51/60/1380555160.db2.gz VRHAIDIYVIQNAQ-MSOLQXFVSA-N 2 1 325.541 3.268 20 0 EGADMP CC(C)[NH+]1CCC(CNc2cc(OC3CC[NH+](C)CC3)ccn2)CC1 ZINC001156502878 1380585330 /nfs/dbraw/zinc/58/53/30/1380585330.db2.gz ZQUSGCTZXJFDRN-UHFFFAOYSA-N 2 1 346.519 3.087 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)CC1CC2(CCC2)C1 ZINC001156516959 1380587044 /nfs/dbraw/zinc/58/70/44/1380587044.db2.gz KEUOZOOLKUGABU-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CC1CC2(CCC2)C1 ZINC001156516959 1380587045 /nfs/dbraw/zinc/58/70/45/1380587045.db2.gz KEUOZOOLKUGABU-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CC1CC2(CCC2)C1 ZINC001156516959 1380587047 /nfs/dbraw/zinc/58/70/47/1380587047.db2.gz KEUOZOOLKUGABU-QGZVFWFLSA-N 2 1 337.552 3.125 20 0 EGADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)CC1(C)C ZINC001328102520 1388673802 /nfs/dbraw/zinc/67/38/02/1388673802.db2.gz NNRGFWBMEUTCBE-SFHVURJKSA-N 2 1 337.552 3.125 20 0 EGADMP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092310 1380773893 /nfs/dbraw/zinc/77/38/93/1380773893.db2.gz QXVFIDXWKBIUSF-QULHZPMSSA-N 2 1 337.552 3.435 20 0 EGADMP Cc1c[nH+]c(N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)c(N)c1 ZINC001158149074 1381142793 /nfs/dbraw/zinc/14/27/93/1381142793.db2.gz ZTNJSVFRBYMRPE-WKILWMFISA-N 2 1 328.435 3.388 20 0 EGADMP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158227744 1381167415 /nfs/dbraw/zinc/16/74/15/1381167415.db2.gz NHYUQJZLPPFGCD-LIXSYLKWSA-N 2 1 346.519 3.251 20 0 EGADMP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158227744 1381167419 /nfs/dbraw/zinc/16/74/19/1381167419.db2.gz NHYUQJZLPPFGCD-LIXSYLKWSA-N 2 1 346.519 3.251 20 0 EGADMP CCC/C=C/CC[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001158353919 1381212746 /nfs/dbraw/zinc/21/27/46/1381212746.db2.gz ALFRPHMPICNGOM-IWAYRVGRSA-N 2 1 334.508 3.239 20 0 EGADMP C[NH+](CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCC1)CC(C)(C)C ZINC001158480612 1381260882 /nfs/dbraw/zinc/26/08/82/1381260882.db2.gz PBNPDMDOUTUCDH-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC1CCC1)C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001158480612 1381260885 /nfs/dbraw/zinc/26/08/85/1381260885.db2.gz PBNPDMDOUTUCDH-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CC1CCC1)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001158480612 1381260891 /nfs/dbraw/zinc/26/08/91/1381260891.db2.gz PBNPDMDOUTUCDH-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[C@H](F)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480750 1381262192 /nfs/dbraw/zinc/26/21/92/1381262192.db2.gz PSULJWKYMHKZKA-DLBZAZTESA-N 2 1 343.531 3.025 20 0 EGADMP CC[C@H](F)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001158480750 1381262195 /nfs/dbraw/zinc/26/21/95/1381262195.db2.gz PSULJWKYMHKZKA-DLBZAZTESA-N 2 1 343.531 3.025 20 0 EGADMP CC[C@H](F)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001158480750 1381262197 /nfs/dbraw/zinc/26/21/97/1381262197.db2.gz PSULJWKYMHKZKA-DLBZAZTESA-N 2 1 343.531 3.025 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)C/C=C/Cl)[NH+](CC)CC ZINC001158491141 1381265782 /nfs/dbraw/zinc/26/57/82/1381265782.db2.gz LCNBRVMQCNTLDY-VNAXKEFJSA-N 2 1 343.943 3.172 20 0 EGADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)C)[NH+](CC)CC ZINC001158491548 1381265792 /nfs/dbraw/zinc/26/57/92/1381265792.db2.gz RZPDWEZFOLHPEX-MOPGFXCFSA-N 2 1 339.568 3.466 20 0 EGADMP CC/C=C\CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001158780648 1381396310 /nfs/dbraw/zinc/39/63/10/1381396310.db2.gz CGZVLGANIIUMFV-QULHZPMSSA-N 2 1 337.552 3.388 20 0 EGADMP CC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001158780648 1381396315 /nfs/dbraw/zinc/39/63/15/1381396315.db2.gz CGZVLGANIIUMFV-QULHZPMSSA-N 2 1 337.552 3.388 20 0 EGADMP CC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001158780648 1381396326 /nfs/dbraw/zinc/39/63/26/1381396326.db2.gz CGZVLGANIIUMFV-QULHZPMSSA-N 2 1 337.552 3.388 20 0 EGADMP C[N@@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158865431 1381439402 /nfs/dbraw/zinc/43/94/02/1381439402.db2.gz ADGJHXNLQLTLAI-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001158865431 1381439409 /nfs/dbraw/zinc/43/94/09/1381439409.db2.gz ADGJHXNLQLTLAI-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP C[NH+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001158865431 1381439420 /nfs/dbraw/zinc/43/94/20/1381439420.db2.gz ADGJHXNLQLTLAI-QZTJIDSGSA-N 2 1 337.552 3.077 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1c(C)cc(C)cc1C ZINC001159327415 1381764605 /nfs/dbraw/zinc/76/46/05/1381764605.db2.gz JCZLBGHCJFTCHL-HXUWFJFHSA-N 2 1 345.531 3.082 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001159355368 1381774551 /nfs/dbraw/zinc/77/45/51/1381774551.db2.gz DNEHIIYPYMNKDR-IEBWSBKVSA-N 2 1 331.504 3.026 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001160293433 1382064428 /nfs/dbraw/zinc/06/44/28/1382064428.db2.gz XDJKJMYZQYRSAB-UHFFFAOYSA-N 2 1 349.544 3.362 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353441 1382080592 /nfs/dbraw/zinc/08/05/92/1382080592.db2.gz VAKQQEZHJNHDSQ-HXUWFJFHSA-N 2 1 349.563 3.293 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160353441 1382080596 /nfs/dbraw/zinc/08/05/96/1382080596.db2.gz VAKQQEZHJNHDSQ-HXUWFJFHSA-N 2 1 349.563 3.293 20 0 EGADMP CCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001160353441 1382080602 /nfs/dbraw/zinc/08/06/02/1382080602.db2.gz VAKQQEZHJNHDSQ-HXUWFJFHSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC001290312407 1382080756 /nfs/dbraw/zinc/08/07/56/1382080756.db2.gz KHEVDAFRCZULFH-DLBZAZTESA-N 2 1 349.544 3.123 20 0 EGADMP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160359802 1382082049 /nfs/dbraw/zinc/08/20/49/1382082049.db2.gz BDCXBTLNNRAZKS-UHFFFAOYSA-N 2 1 335.536 3.045 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360290 1382082943 /nfs/dbraw/zinc/08/29/43/1382082943.db2.gz NJDHEDTWKIKOPA-QUCCMNQESA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160360290 1382082946 /nfs/dbraw/zinc/08/29/46/1382082946.db2.gz NJDHEDTWKIKOPA-QUCCMNQESA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160360290 1382082952 /nfs/dbraw/zinc/08/29/52/1382082952.db2.gz NJDHEDTWKIKOPA-QUCCMNQESA-N 2 1 349.563 3.434 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC1=CC[NH+](CC2CCCC2)CC1 ZINC001160400535 1382094832 /nfs/dbraw/zinc/09/48/32/1382094832.db2.gz UPFKFZCDUUNBQR-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001160400535 1382094835 /nfs/dbraw/zinc/09/48/35/1382094835.db2.gz UPFKFZCDUUNBQR-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP C[NH+]1CCC[C@H]1CCC(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001160400535 1382094838 /nfs/dbraw/zinc/09/48/38/1382094838.db2.gz UPFKFZCDUUNBQR-FQEVSTJZSA-N 2 1 347.547 3.189 20 0 EGADMP CC[C@H](C)C1CCC(Nc2nc(N3CCC([NH3+])CC3)cc[nH+]2)CC1 ZINC001160668091 1382165398 /nfs/dbraw/zinc/16/53/98/1382165398.db2.gz SDUKSXHSMQXAPD-UQPPLGOBSA-N 2 1 331.508 3.421 20 0 EGADMP O=C(NCCC[NH2+]CC1CCC2(CC2)CC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160870266 1382219692 /nfs/dbraw/zinc/21/96/92/1382219692.db2.gz WVHDZNMQJLEWEX-MOPGFXCFSA-N 2 1 347.547 3.070 20 0 EGADMP CC(C)[C@H](C(=O)NCCC1=CC[N@@H+](CC2=CCCCC2)CC1)[NH+](C)C ZINC001161140352 1382315517 /nfs/dbraw/zinc/31/55/17/1382315517.db2.gz JVJBPKGVJDKAMG-HXUWFJFHSA-N 2 1 347.547 3.211 20 0 EGADMP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001161208053 1382342148 /nfs/dbraw/zinc/34/21/48/1382342148.db2.gz YXHCHXXBQYYNSM-MOPGFXCFSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001161208053 1382342156 /nfs/dbraw/zinc/34/21/56/1382342156.db2.gz YXHCHXXBQYYNSM-MOPGFXCFSA-N 2 1 349.563 3.291 20 0 EGADMP CC(C)C[C@@H](C)C[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001161208053 1382342161 /nfs/dbraw/zinc/34/21/61/1382342161.db2.gz YXHCHXXBQYYNSM-MOPGFXCFSA-N 2 1 349.563 3.291 20 0 EGADMP CCCC[N@@H+](CC)[C@H](C(=O)N(C(C)C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC001161353339 1382379755 /nfs/dbraw/zinc/37/97/55/1382379755.db2.gz OEDOVSXRLRFAPC-PMACEKPBSA-N 2 1 345.531 3.449 20 0 EGADMP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391061 1382396192 /nfs/dbraw/zinc/39/61/92/1382396192.db2.gz OHGDXZFQSVPGBV-QUCCMNQESA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161391061 1382396197 /nfs/dbraw/zinc/39/61/97/1382396197.db2.gz OHGDXZFQSVPGBV-QUCCMNQESA-N 2 1 349.563 3.434 20 0 EGADMP CC[C@@H](C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161391061 1382396205 /nfs/dbraw/zinc/39/62/05/1382396205.db2.gz OHGDXZFQSVPGBV-QUCCMNQESA-N 2 1 349.563 3.434 20 0 EGADMP CC[NH+](CC)CC(=O)NCCC1=CC[N@@H+](C[C@@H](C)CC(C)C)CC1 ZINC001161505018 1382425479 /nfs/dbraw/zinc/42/54/79/1382425479.db2.gz YGUXVUAMTIOIMH-SFHVURJKSA-N 2 1 337.552 3.149 20 0 EGADMP COc1cc(N2CCC([NH3+])(c3cccnc3)CC2)[nH+]c2ccccc21 ZINC001161581723 1382446126 /nfs/dbraw/zinc/44/61/26/1382446126.db2.gz BIBQVMHYFXUKKR-UHFFFAOYSA-N 2 1 334.423 3.093 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCC1=CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001161650243 1382470175 /nfs/dbraw/zinc/47/01/75/1382470175.db2.gz CCZPHWXMWMKORV-SFHVURJKSA-N 2 1 343.515 3.228 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ccccc2)CC1 ZINC001161650243 1382470179 /nfs/dbraw/zinc/47/01/79/1382470179.db2.gz CCZPHWXMWMKORV-SFHVURJKSA-N 2 1 343.515 3.228 20 0 EGADMP CC[NH+](C)CCC(=O)NCCC1=CC[N@H+]([C@@H](C)c2ccccc2)CC1 ZINC001161650243 1382470180 /nfs/dbraw/zinc/47/01/80/1382470180.db2.gz CCZPHWXMWMKORV-SFHVURJKSA-N 2 1 343.515 3.228 20 0 EGADMP CC(C)[N@@H+]1CC=C(CCNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001161688065 1382481046 /nfs/dbraw/zinc/48/10/46/1382481046.db2.gz FQBPVELBEIGBAK-OAQYLSRUSA-N 2 1 343.515 3.010 20 0 EGADMP CCCCC[N@@H+]1CC=C(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001161722637 1382489129 /nfs/dbraw/zinc/48/91/29/1382489129.db2.gz AZOXWSZGHBFZMP-UHFFFAOYSA-N 2 1 344.503 3.090 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001161755056 1382495501 /nfs/dbraw/zinc/49/55/01/1382495501.db2.gz JNCPIPSOIVQDQP-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001161755056 1382495503 /nfs/dbraw/zinc/49/55/03/1382495503.db2.gz JNCPIPSOIVQDQP-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP CCC[NH+](C)CC(=O)NCCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001161755056 1382495506 /nfs/dbraw/zinc/49/55/06/1382495506.db2.gz JNCPIPSOIVQDQP-UHFFFAOYSA-N 2 1 337.552 3.293 20 0 EGADMP O=C(C[NH+]1CCCC1)NCCC1=CC[N@@H+](CC2CCCCCC2)CC1 ZINC001161878856 1382537328 /nfs/dbraw/zinc/53/73/28/1382537328.db2.gz CPVSTWCSVPRTEZ-UHFFFAOYSA-N 2 1 347.547 3.191 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161898954 1382544396 /nfs/dbraw/zinc/54/43/96/1382544396.db2.gz HZSUUSUDBVWOBU-UHFFFAOYSA-N 2 1 335.536 3.191 20 0 EGADMP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161953003 1382569058 /nfs/dbraw/zinc/56/90/58/1382569058.db2.gz OJCBKUVUHUKYNJ-HXUWFJFHSA-N 2 1 347.547 3.211 20 0 EGADMP CCCC[N@H+]1CC=C(CCNC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001161986709 1382589418 /nfs/dbraw/zinc/58/94/18/1382589418.db2.gz KWNXTKYUMDFTAD-UHFFFAOYSA-N 2 1 343.515 3.057 20 0 EGADMP CCCC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001161986709 1382589421 /nfs/dbraw/zinc/58/94/21/1382589421.db2.gz KWNXTKYUMDFTAD-UHFFFAOYSA-N 2 1 343.515 3.057 20 0 EGADMP CCCC[NH+]1CC=C(CCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001161986709 1382589425 /nfs/dbraw/zinc/58/94/25/1382589425.db2.gz KWNXTKYUMDFTAD-UHFFFAOYSA-N 2 1 343.515 3.057 20 0 EGADMP CCCC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001161986709 1382589431 /nfs/dbraw/zinc/58/94/31/1382589431.db2.gz KWNXTKYUMDFTAD-UHFFFAOYSA-N 2 1 343.515 3.057 20 0 EGADMP Cc1sc2nc(C[NH+](C)C)nc(N[C@@H]3CCC[C@@H]([NH3+])C3)c2c1C ZINC001162391534 1382745972 /nfs/dbraw/zinc/74/59/72/1382745972.db2.gz BPLDRDIPNKRHNZ-CHWSQXEVSA-N 2 1 333.505 3.052 20 0 EGADMP [NH3+][C@@H]1Cc2ccccc2N(c2c[nH+]c3cc(Br)ccn32)C1 ZINC001162850952 1382894643 /nfs/dbraw/zinc/89/46/43/1382894643.db2.gz VALRXJMRNXKHOY-CYBMUJFWSA-N 2 1 343.228 3.118 20 0 EGADMP COCC[N@@H+](C)Cc1ccnc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)c1 ZINC001162902585 1382910116 /nfs/dbraw/zinc/91/01/16/1382910116.db2.gz JMLJUVSTVUVFID-OAHLLOKOSA-N 2 1 338.455 3.123 20 0 EGADMP Cc1cc(C(F)(F)F)cc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)[nH+]1 ZINC001162956673 1382927030 /nfs/dbraw/zinc/92/70/30/1382927030.db2.gz RIFNMFMFLDTSSF-CQSZACIVSA-N 2 1 343.393 3.370 20 0 EGADMP CC[N@@H+]1CC=C(c2cnc(N[C@@]34CCC[C@@H]3[NH2+]CC4)c(C)c2)CC1 ZINC001162983367 1382937388 /nfs/dbraw/zinc/93/73/88/1382937388.db2.gz DQEMLXPIWZCYSV-AZUAARDMSA-N 2 1 326.488 3.196 20 0 EGADMP Cc1ccc2c(c1)[C@@H](Nc1cc3c(c[nH+]1)CC(=O)N3)CC21CC[NH2+]CC1 ZINC001163023949 1382949943 /nfs/dbraw/zinc/94/99/43/1382949943.db2.gz RSHDKKKKIXZHIX-SFHVURJKSA-N 2 1 348.450 3.063 20 0 EGADMP Cc1[nH+]c2ccc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)cc2n1C(C)C ZINC001163325924 1383023189 /nfs/dbraw/zinc/02/31/89/1383023189.db2.gz CXAPRJSWBPRKCS-APWZRJJASA-N 2 1 328.460 3.249 20 0 EGADMP Cc1cc([NH+]2CCCCC2)ccc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163333751 1383024614 /nfs/dbraw/zinc/02/46/14/1383024614.db2.gz UCSYOTHUJIEOHA-FXAWDEMLSA-N 2 1 329.488 3.308 20 0 EGADMP C[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCC2CCCCCC2)CC1 ZINC001163822215 1383125829 /nfs/dbraw/zinc/12/58/29/1383125829.db2.gz VSBNBKIAEQAFQK-IBGZPJMESA-N 2 1 349.563 3.317 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001164449335 1383187955 /nfs/dbraw/zinc/18/79/55/1383187955.db2.gz IARKXUYAMMKWJA-RBUKOAKNSA-N 2 1 345.531 3.274 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001164455485 1383188436 /nfs/dbraw/zinc/18/84/36/1383188436.db2.gz CAABEDLDUWQCHV-IBGZPJMESA-N 2 1 349.563 3.175 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@H](CC)c2ccccc2)C1 ZINC001164456770 1383188824 /nfs/dbraw/zinc/18/88/24/1383188824.db2.gz ZEJPRFBTZHSAHU-VQTJNVASSA-N 2 1 345.531 3.356 20 0 EGADMP CCCC[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001164578473 1383200977 /nfs/dbraw/zinc/20/09/77/1383200977.db2.gz BOJXLALTQKUROU-INIZCTEOSA-N 2 1 334.508 3.073 20 0 EGADMP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001164577873 1383201098 /nfs/dbraw/zinc/20/10/98/1383201098.db2.gz VXPDAFORTVIHKT-FHWLQOOXSA-N 2 1 345.531 3.191 20 0 EGADMP CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001328749638 1388840583 /nfs/dbraw/zinc/84/05/83/1388840583.db2.gz NNYHKXCFGVMXAR-IBGZPJMESA-N 2 1 337.552 3.364 20 0 EGADMP CCCC[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001328749638 1388840587 /nfs/dbraw/zinc/84/05/87/1388840587.db2.gz NNYHKXCFGVMXAR-IBGZPJMESA-N 2 1 337.552 3.364 20 0 EGADMP CCCC[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001328749638 1388840592 /nfs/dbraw/zinc/84/05/92/1388840592.db2.gz NNYHKXCFGVMXAR-IBGZPJMESA-N 2 1 337.552 3.364 20 0 EGADMP CC(C)n1ccc2c1nc[nH+]c2N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001165322131 1383272111 /nfs/dbraw/zinc/27/21/11/1383272111.db2.gz GSQKYSLQRAZVRJ-KRWDZBQOSA-N 2 1 327.476 3.371 20 0 EGADMP C[N@@H+](CC(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1)C1CCC1 ZINC001165492081 1383302238 /nfs/dbraw/zinc/30/22/38/1383302238.db2.gz IUAHJPKIGGZQBY-UHFFFAOYSA-N 2 1 349.563 3.317 20 0 EGADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001165568247 1383311363 /nfs/dbraw/zinc/31/13/63/1383311363.db2.gz GMHXHFABNKYQOX-GOSISDBHSA-N 2 1 349.563 3.173 20 0 EGADMP CCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165926798 1383366102 /nfs/dbraw/zinc/36/61/02/1383366102.db2.gz DOHKOBIMYAAAGQ-GOSISDBHSA-N 2 1 337.552 3.173 20 0 EGADMP CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793405 1383478393 /nfs/dbraw/zinc/47/83/93/1383478393.db2.gz MNYCQCLOYSRYLB-SFFCAUCYSA-N 2 1 349.563 3.341 20 0 EGADMP COc1ccc2cc[nH+]c(N3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)c2c1 ZINC001167207819 1383567004 /nfs/dbraw/zinc/56/70/04/1383567004.db2.gz JRISIGSQUWDDJU-GCJKJVERSA-N 2 1 345.446 3.221 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCCC2(C[NH2+]CC3CCCCCC3)CC2)C1 ZINC001167232788 1383570913 /nfs/dbraw/zinc/57/09/13/1383570913.db2.gz PZZAAUNVOJIXIP-SFHVURJKSA-N 2 1 349.563 3.175 20 0 EGADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC2(C[NH2+]CC3CCCCCC3)CC2)C1 ZINC001167232787 1383571355 /nfs/dbraw/zinc/57/13/55/1383571355.db2.gz PZZAAUNVOJIXIP-GOSISDBHSA-N 2 1 349.563 3.175 20 0 EGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2ccc3cc(C[NH3+])cnc32)nc1 ZINC001167308221 1383591642 /nfs/dbraw/zinc/59/16/42/1383591642.db2.gz JWKXSIINHXPRRA-OAHLLOKOSA-N 2 1 335.455 3.254 20 0 EGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2cc(F)ccc2C)C1 ZINC001167511927 1383655413 /nfs/dbraw/zinc/65/54/13/1383655413.db2.gz DIKLNUVXOGVMBF-MRXNPFEDSA-N 2 1 335.467 3.126 20 0 EGADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC001167581318 1383678460 /nfs/dbraw/zinc/67/84/60/1383678460.db2.gz XRLNAFHQSNYSTB-KRWDZBQOSA-N 2 1 342.487 3.254 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167627009 1383692835 /nfs/dbraw/zinc/69/28/35/1383692835.db2.gz ISCMVFWSDYEOLR-QZTJIDSGSA-N 2 1 325.541 3.027 20 0 EGADMP COC(=O)c1c[nH+]c(NCCC[N@H+]2CCCC[C@H]2C)c2ccn(C)c21 ZINC001167751125 1383729766 /nfs/dbraw/zinc/72/97/66/1383729766.db2.gz ICRWLXHTVXUCHP-CQSZACIVSA-N 2 1 344.459 3.036 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001167834157 1383753180 /nfs/dbraw/zinc/75/31/80/1383753180.db2.gz IJHVWOBDFLHHQA-BBWFWOEESA-N 2 1 341.540 3.484 20 0 EGADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCN(c2cccc(C)n2)CC1 ZINC001167838744 1383756052 /nfs/dbraw/zinc/75/60/52/1383756052.db2.gz WKDSNWBBKFYHJF-IBGZPJMESA-N 2 1 332.536 3.413 20 0 EGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3C[C@H]4C[C@H]4C3)C[C@H]21 ZINC001167941610 1383774245 /nfs/dbraw/zinc/77/42/45/1383774245.db2.gz QZTXBKZOIDDFPR-NITCWVKZSA-N 2 1 325.500 3.412 20 0 EGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3C[C@H]4C[C@H]4C3)C[C@H]21 ZINC001167941610 1383774247 /nfs/dbraw/zinc/77/42/47/1383774247.db2.gz QZTXBKZOIDDFPR-NITCWVKZSA-N 2 1 325.500 3.412 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3C[C@H]4C[C@H]4C3)C[C@H]21 ZINC001167941610 1383774250 /nfs/dbraw/zinc/77/42/50/1383774250.db2.gz QZTXBKZOIDDFPR-NITCWVKZSA-N 2 1 325.500 3.412 20 0 EGADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3C[C@H]4C[C@H]4C3)C[C@H]21 ZINC001167941610 1383774252 /nfs/dbraw/zinc/77/42/52/1383774252.db2.gz QZTXBKZOIDDFPR-NITCWVKZSA-N 2 1 325.500 3.412 20 0 EGADMP O[C@@H]1c2ccccc2CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969040 1383782152 /nfs/dbraw/zinc/78/21/52/1383782152.db2.gz YUDPVSCBIWNJRM-ACLUHKAVSA-N 2 1 326.484 3.030 20 0 EGADMP CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167970412 1383782442 /nfs/dbraw/zinc/78/24/42/1383782442.db2.gz KIAHRUPOCPWYDD-NTAHMENRSA-N 2 1 348.531 3.493 20 0 EGADMP C[NH+](C)CCN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981610 1383787013 /nfs/dbraw/zinc/78/70/13/1383787013.db2.gz BNMDTVSOWMFSPX-CBQGHPETSA-N 2 1 341.543 3.456 20 0 EGADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168023895 1383799409 /nfs/dbraw/zinc/79/94/09/1383799409.db2.gz YWWALAGSJGRYET-LWASTNQWSA-N 2 1 344.499 3.359 20 0 EGADMP O=C(NCCC[NH2+]CC1CCCCCC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168030577 1383800111 /nfs/dbraw/zinc/80/01/11/1383800111.db2.gz QGJQCICWMLNKJF-MOPGFXCFSA-N 2 1 335.536 3.070 20 0 EGADMP O=C(NCCC[NH2+]CCC1CCCCC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168028903 1383800519 /nfs/dbraw/zinc/80/05/19/1383800519.db2.gz AEARBTIXFVGXKV-OALUTQOASA-N 2 1 335.536 3.070 20 0 EGADMP COC(=O)C[C@@H]1CCC[N@@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168059940 1383806750 /nfs/dbraw/zinc/80/67/50/1383806750.db2.gz HMFBCXUTHKXLLU-LNLFQRSKSA-N 2 1 344.499 3.456 20 0 EGADMP COC(=O)C[C@@H]1CCC[N@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168059940 1383806752 /nfs/dbraw/zinc/80/67/52/1383806752.db2.gz HMFBCXUTHKXLLU-LNLFQRSKSA-N 2 1 344.499 3.456 20 0 EGADMP C[C@@H]1C[C@@H]([NH+](C)CCC2OCCO2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065880 1383808607 /nfs/dbraw/zinc/80/86/07/1383808607.db2.gz YSJWLVOCZDLHGW-IZZQQSIFSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@@H]([N@H+](C)CCC2OCCO2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065880 1383808611 /nfs/dbraw/zinc/80/86/11/1383808611.db2.gz YSJWLVOCZDLHGW-IZZQQSIFSA-N 2 1 332.488 3.123 20 0 EGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2OCCO2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065880 1383808619 /nfs/dbraw/zinc/80/86/19/1383808619.db2.gz YSJWLVOCZDLHGW-IZZQQSIFSA-N 2 1 332.488 3.123 20 0 EGADMP C[NH+](C)C1CCC([N@H+]2CC[C@]3(c4ccccc4OC3=O)C2(C)C)CC1 ZINC001168329539 1383874163 /nfs/dbraw/zinc/87/41/63/1383874163.db2.gz XCZFRBVIGSYTBB-CPAJTMIGSA-N 2 1 342.483 3.201 20 0 EGADMP CC[N@@H+]([C@H]1CCN(Cc2ccccc2)C1)C1CCC([NH+](C)C)CC1 ZINC001168327359 1383874169 /nfs/dbraw/zinc/87/41/69/1383874169.db2.gz KSNQAMUCLSUVBG-CBNMVNINSA-N 2 1 329.532 3.456 20 0 EGADMP CCC1(CNc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)COC1 ZINC001168328000 1383874327 /nfs/dbraw/zinc/87/43/27/1383874327.db2.gz YCIGGENMAGLTCA-MRXNPFEDSA-N 2 1 328.460 3.189 20 0 EGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C1CC[NH+](CC2CC2)CC1 ZINC001168390325 1383893831 /nfs/dbraw/zinc/89/38/31/1383893831.db2.gz GUWLBATVCAVWKS-SFHVURJKSA-N 2 1 327.516 3.067 20 0 EGADMP Cc1ccnc(O[C@@H]2CCC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168395031 1383894805 /nfs/dbraw/zinc/89/48/05/1383894805.db2.gz KHIBWAGDODUWBQ-LJQANCHMSA-N 2 1 329.488 3.108 20 0 EGADMP Cc1ccnc(O[C@@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168395031 1383894811 /nfs/dbraw/zinc/89/48/11/1383894811.db2.gz KHIBWAGDODUWBQ-LJQANCHMSA-N 2 1 329.488 3.108 20 0 EGADMP CC(C)CC[NH2+]CC1(CCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001168463794 1383913055 /nfs/dbraw/zinc/91/30/55/1383913055.db2.gz WSGIXZSBEVUFDS-UHFFFAOYSA-N 2 1 345.531 3.041 20 0 EGADMP CC(C)CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001168463794 1383913058 /nfs/dbraw/zinc/91/30/58/1383913058.db2.gz WSGIXZSBEVUFDS-UHFFFAOYSA-N 2 1 345.531 3.041 20 0 EGADMP Cc1cc(N([C@@H](C)Cc2cccc(F)c2)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001168502034 1383925591 /nfs/dbraw/zinc/92/55/91/1383925591.db2.gz RMHRBFCNRXUCBC-HNNXBMFYSA-N 2 1 342.462 3.422 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]CC1CC2(CCC2)C1 ZINC001168606580 1383947086 /nfs/dbraw/zinc/94/70/86/1383947086.db2.gz IHQUPLRJVFJSLO-UHFFFAOYSA-N 2 1 337.552 3.175 20 0 EGADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC001168614237 1383949155 /nfs/dbraw/zinc/94/91/55/1383949155.db2.gz FHCCARAVBFZFSJ-GOSISDBHSA-N 2 1 333.520 3.356 20 0 EGADMP C[C@H]1C[C@H]([N@@H+](CCC[NH3+])C2CCCCC2)CN1C(=O)OC(C)(C)C ZINC001168805394 1384012904 /nfs/dbraw/zinc/01/29/04/1384012904.db2.gz HBZKPAYETVSZBC-RDJZCZTQSA-N 2 1 339.524 3.368 20 0 EGADMP CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001307728681 1384019613 /nfs/dbraw/zinc/01/96/13/1384019613.db2.gz PINLARYDGLSCPP-QGZVFWFLSA-N 2 1 332.488 3.446 20 0 EGADMP CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001307728681 1384019619 /nfs/dbraw/zinc/01/96/19/1384019619.db2.gz PINLARYDGLSCPP-QGZVFWFLSA-N 2 1 332.488 3.446 20 0 EGADMP CC(C)C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)NC(=O)OC(C)(C)C ZINC001169108695 1384108185 /nfs/dbraw/zinc/10/81/85/1384108185.db2.gz VPYBDEAPGDXIDB-VQHPVUNQSA-N 2 1 339.524 3.141 20 0 EGADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC1(C)CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169118556 1384109589 /nfs/dbraw/zinc/10/95/89/1384109589.db2.gz KBMKAUWCTWVNLI-OWZKRDHZSA-N 2 1 327.516 3.256 20 0 EGADMP CCOC(=O)Cc1cc[nH+]c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1C ZINC001169140638 1384112658 /nfs/dbraw/zinc/11/26/58/1384112658.db2.gz HADFRUUKZFLKIS-UZLBHIALSA-N 2 1 347.503 3.451 20 0 EGADMP Cc1cc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c[nH+]c1N1CCOCC1 ZINC001169147530 1384114768 /nfs/dbraw/zinc/11/47/68/1384114768.db2.gz TVDXNFXANAXPOF-YLJYHZDGSA-N 2 1 346.519 3.182 20 0 EGADMP CCOC(=O)CCC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160358 1384117727 /nfs/dbraw/zinc/11/77/27/1384117727.db2.gz DALGDNRWYVAZFK-ACDBMABISA-N 2 1 344.499 3.457 20 0 EGADMP CCOC(=O)CCC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169160358 1384117729 /nfs/dbraw/zinc/11/77/29/1384117729.db2.gz DALGDNRWYVAZFK-ACDBMABISA-N 2 1 344.499 3.457 20 0 EGADMP CCOC(=O)CCC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169160358 1384117731 /nfs/dbraw/zinc/11/77/31/1384117731.db2.gz DALGDNRWYVAZFK-ACDBMABISA-N 2 1 344.499 3.457 20 0 EGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCC1(C[NH+](C)C)CCCC1 ZINC001308365123 1384121996 /nfs/dbraw/zinc/12/19/96/1384121996.db2.gz CAWBSVUCRNRBNO-QUCCMNQESA-N 2 1 329.532 3.219 20 0 EGADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC001308365123 1384121997 /nfs/dbraw/zinc/12/19/97/1384121997.db2.gz CAWBSVUCRNRBNO-QUCCMNQESA-N 2 1 329.532 3.219 20 0 EGADMP CC[NH+]1CCC([NH2+]C2CCN(Cc3cccc(F)c3F)CC2)CC1 ZINC001169239216 1384125875 /nfs/dbraw/zinc/12/58/75/1384125875.db2.gz SAWMPNWFSUQDIG-UHFFFAOYSA-N 2 1 337.458 3.003 20 0 EGADMP CC[NH+]1CCC([N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001169253814 1384127820 /nfs/dbraw/zinc/12/78/20/1384127820.db2.gz KBBHGDNQFDQKGY-XLIONFOSSA-N 2 1 329.488 3.047 20 0 EGADMP CC[NH+]1CCC([N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001169253814 1384127822 /nfs/dbraw/zinc/12/78/22/1384127822.db2.gz KBBHGDNQFDQKGY-XLIONFOSSA-N 2 1 329.488 3.047 20 0 EGADMP CC[NH+]1CCC([NH+]2CCC(c3nc4ccccc4n3C)CC2)CC1 ZINC001169265675 1384129470 /nfs/dbraw/zinc/12/94/70/1384129470.db2.gz OUROONBEOFAKCC-UHFFFAOYSA-N 2 1 326.488 3.237 20 0 EGADMP CC[N@@H+](CCC[NH+](C)C)C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001308745333 1384146953 /nfs/dbraw/zinc/14/69/53/1384146953.db2.gz VLZHNDSMFGHTTA-IBGZPJMESA-N 2 1 341.540 3.297 20 0 EGADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001169459226 1384150028 /nfs/dbraw/zinc/15/00/28/1384150028.db2.gz NENLRWFAUVBRQB-SFHVURJKSA-N 2 1 345.531 3.278 20 0 EGADMP C[NH+](C)CCC(C)(C)Nc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC001169715812 1384177544 /nfs/dbraw/zinc/17/75/44/1384177544.db2.gz IYHCJXMWVFUVHI-UHFFFAOYSA-N 2 1 325.460 3.139 20 0 EGADMP C[NH+](C)CCC(C)(C)Nc1c[nH+]c2c(Br)cccn12 ZINC001169719080 1384177626 /nfs/dbraw/zinc/17/76/26/1384177626.db2.gz VPPYGWZJUSHZTI-UHFFFAOYSA-N 2 1 325.254 3.239 20 0 EGADMP CCc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169810064 1384187592 /nfs/dbraw/zinc/18/75/92/1384187592.db2.gz NYQAFPYQBMGELP-XLIONFOSSA-N 2 1 345.531 3.108 20 0 EGADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170012895 1384218448 /nfs/dbraw/zinc/21/84/48/1384218448.db2.gz YLVBLVWZHASGLB-UHFFFAOYSA-N 2 1 346.519 3.359 20 0 EGADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]([NH3+])C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170464170 1384325268 /nfs/dbraw/zinc/32/52/68/1384325268.db2.gz IDTYYPXHDAXSIY-WCXIOVBPSA-N 2 1 339.524 3.366 20 0 EGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]([NH3+])C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170464170 1384325270 /nfs/dbraw/zinc/32/52/70/1384325270.db2.gz IDTYYPXHDAXSIY-WCXIOVBPSA-N 2 1 339.524 3.366 20 0 EGADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]([NH3+])C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170464168 1384325341 /nfs/dbraw/zinc/32/53/41/1384325341.db2.gz IDTYYPXHDAXSIY-NXOAAHMSSA-N 2 1 339.524 3.366 20 0 EGADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]([NH3+])C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170464168 1384325346 /nfs/dbraw/zinc/32/53/46/1384325346.db2.gz IDTYYPXHDAXSIY-NXOAAHMSSA-N 2 1 339.524 3.366 20 0 EGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3C[C@@H]4[C@H](C3)C4(C)C)cc2)CC1 ZINC001170724478 1384374082 /nfs/dbraw/zinc/37/40/82/1384374082.db2.gz KNMRAFZXQLFKFC-WKCHPHFGSA-N 2 1 341.543 3.348 20 0 EGADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CCCCC1 ZINC001170784186 1384384551 /nfs/dbraw/zinc/38/45/51/1384384551.db2.gz GETCROSSEQPQQO-IBGZPJMESA-N 2 1 337.552 3.317 20 0 EGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170848880 1384397750 /nfs/dbraw/zinc/39/77/50/1384397750.db2.gz JJFXYUYYDWKEBJ-INIZCTEOSA-N 2 1 334.261 3.101 20 0 EGADMP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170870825 1384401840 /nfs/dbraw/zinc/40/18/40/1384401840.db2.gz KAOIIUAIXVAYRC-YBXURTSQSA-N 2 1 337.552 3.338 20 0 EGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC(C)C ZINC001170879266 1384403817 /nfs/dbraw/zinc/40/38/17/1384403817.db2.gz VWFLDSXAAQMRLR-IRXDYDNUSA-N 2 1 336.524 3.317 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001171120973 1384449842 /nfs/dbraw/zinc/44/98/42/1384449842.db2.gz QLVKOUKRYPYMHB-ICSRJNTNSA-N 2 1 345.531 3.326 20 0 EGADMP CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1C(C)C)[NH+](C)C ZINC001316607022 1384475785 /nfs/dbraw/zinc/47/57/85/1384475785.db2.gz YUOGQIUQTYYIDU-ICSRJNTNSA-N 2 1 345.531 3.183 20 0 EGADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001171236575 1384476725 /nfs/dbraw/zinc/47/67/25/1384476725.db2.gz NRVNVUSDARWSJW-MSOLQXFVSA-N 2 1 325.541 3.029 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171255038 1384479778 /nfs/dbraw/zinc/47/97/78/1384479778.db2.gz YONJLJQFRAUDOX-INIZCTEOSA-N 2 1 337.552 3.172 20 0 EGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001316624788 1384489991 /nfs/dbraw/zinc/48/99/91/1384489991.db2.gz OJXVOZGFAXAQRL-OKYOBFRVSA-N 2 1 337.552 3.027 20 0 EGADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171330312 1384496062 /nfs/dbraw/zinc/49/60/62/1384496062.db2.gz SNELGAPURSMYPZ-ZWKOTPCHSA-N 2 1 325.541 3.316 20 0 EGADMP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC001171538792 1384556170 /nfs/dbraw/zinc/55/61/70/1384556170.db2.gz ONCOEDUNWCMJTK-UYAOXDASSA-N 2 1 345.531 3.244 20 0 EGADMP Cc1cccc2c1CC[C@@H]([NH+]1CCC([N@@H+](C)C3CCOCC3)CC1)C2 ZINC001171575372 1384568095 /nfs/dbraw/zinc/56/80/95/1384568095.db2.gz VODSHQMZHBYZFG-OAQYLSRUSA-N 2 1 342.527 3.428 20 0 EGADMP COc1cccc([C@H](CCO)[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171620210 1384582227 /nfs/dbraw/zinc/58/22/27/1384582227.db2.gz ZCNFVQMYJYLJHF-SFHVURJKSA-N 2 1 334.504 3.360 20 0 EGADMP Cc1cnc(O[C@H]2CCC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)nc1 ZINC001171640588 1384590061 /nfs/dbraw/zinc/59/00/61/1384590061.db2.gz GRPWDYBIACFAFC-KRWDZBQOSA-N 2 1 346.519 3.280 20 0 EGADMP C[C@H]1C[C@H](N2CCC([NH3+])(CC3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171738233 1384621030 /nfs/dbraw/zinc/62/10/30/1384621030.db2.gz HZWYOIHGPYDNKL-PXNSSMCTSA-N 2 1 327.516 3.243 20 0 EGADMP COc1ccc(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1C[NH3+] ZINC001171740311 1384622329 /nfs/dbraw/zinc/62/23/29/1384622329.db2.gz JAKMRDKTKKHSCZ-DNVCBOLYSA-N 2 1 325.456 3.229 20 0 EGADMP C[C@H]1C[C@@H](N2CC3(C2)CC[NH+](CC2CC2)C3)C[N@H+]1Cc1ccccc1 ZINC001171747542 1384624430 /nfs/dbraw/zinc/62/44/30/1384624430.db2.gz BPJQLHVFCYYCAH-GHTZIAJQSA-N 2 1 339.527 3.067 20 0 EGADMP C[C@H]1C[C@@H](N2CC3(C2)CC[N@H+](CC2CC2)C3)C[NH+]1Cc1ccccc1 ZINC001171747542 1384624434 /nfs/dbraw/zinc/62/44/34/1384624434.db2.gz BPJQLHVFCYYCAH-GHTZIAJQSA-N 2 1 339.527 3.067 20 0 EGADMP C[C@H]1C[C@@H](N2CC3(C2)CC[N@@H+](CC2CC2)C3)C[NH+]1Cc1ccccc1 ZINC001171747542 1384624435 /nfs/dbraw/zinc/62/44/35/1384624435.db2.gz BPJQLHVFCYYCAH-GHTZIAJQSA-N 2 1 339.527 3.067 20 0 EGADMP C[NH2+]CCc1c(C)nn([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC001171759843 1384627631 /nfs/dbraw/zinc/62/76/31/1384627631.db2.gz NPXUPOABXRALOJ-BEFAXECRSA-N 2 1 326.488 3.097 20 0 EGADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001171763187 1384628932 /nfs/dbraw/zinc/62/89/32/1384628932.db2.gz UWBFRYYPISISMU-QGZVFWFLSA-N 2 1 333.520 3.309 20 0 EGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171870790 1384666525 /nfs/dbraw/zinc/66/65/25/1384666525.db2.gz UWZOLNIAPVTVTC-QUCCMNQESA-N 2 1 343.515 3.003 20 0 EGADMP CC1(C)C[C@H]([NH2+]CCOc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC001171983545 1384704404 /nfs/dbraw/zinc/70/44/04/1384704404.db2.gz PCNCTSJNMOYAHW-LJQANCHMSA-N 2 1 339.483 3.493 20 0 EGADMP COC(=O)C[C@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987694 1384704953 /nfs/dbraw/zinc/70/49/53/1384704953.db2.gz ZYUXZLREHNJFEU-RTBURBONSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)C[C@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987694 1384704958 /nfs/dbraw/zinc/70/49/58/1384704958.db2.gz ZYUXZLREHNJFEU-RTBURBONSA-N 2 1 344.499 3.315 20 0 EGADMP COC(=O)C[C@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987694 1384704961 /nfs/dbraw/zinc/70/49/61/1384704961.db2.gz ZYUXZLREHNJFEU-RTBURBONSA-N 2 1 344.499 3.315 20 0 EGADMP CC[N@H+]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC001171989924 1384707244 /nfs/dbraw/zinc/70/72/44/1384707244.db2.gz JNNOBZRZBQEEKF-UYAOXDASSA-N 2 1 329.532 3.456 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC001171989924 1384707245 /nfs/dbraw/zinc/70/72/45/1384707245.db2.gz JNNOBZRZBQEEKF-UYAOXDASSA-N 2 1 329.532 3.456 20 0 EGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC001171989924 1384707247 /nfs/dbraw/zinc/70/72/47/1384707247.db2.gz JNNOBZRZBQEEKF-UYAOXDASSA-N 2 1 329.532 3.456 20 0 EGADMP CC[N@H+]1CCN([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC001171989923 1384707758 /nfs/dbraw/zinc/70/77/58/1384707758.db2.gz JNNOBZRZBQEEKF-QUCCMNQESA-N 2 1 329.532 3.456 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC001171989923 1384707763 /nfs/dbraw/zinc/70/77/63/1384707763.db2.gz JNNOBZRZBQEEKF-QUCCMNQESA-N 2 1 329.532 3.456 20 0 EGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC001171989923 1384707768 /nfs/dbraw/zinc/70/77/68/1384707768.db2.gz JNNOBZRZBQEEKF-QUCCMNQESA-N 2 1 329.532 3.456 20 0 EGADMP Cc1nn(C)cc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062973 1384714639 /nfs/dbraw/zinc/71/46/39/1384714639.db2.gz UPHSCWATSHVBQK-WKCHPHFGSA-N 2 1 338.499 3.404 20 0 EGADMP Cc1nn(C)cc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062973 1384714641 /nfs/dbraw/zinc/71/46/41/1384714641.db2.gz UPHSCWATSHVBQK-WKCHPHFGSA-N 2 1 338.499 3.404 20 0 EGADMP OC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068358 1384716134 /nfs/dbraw/zinc/71/61/34/1384716134.db2.gz KDUNYFIKFBKNPA-WHZJULEDSA-N 2 1 328.500 3.323 20 0 EGADMP O[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@@H]1F ZINC001172069746 1384717549 /nfs/dbraw/zinc/71/75/49/1384717549.db2.gz UIIOHVRDVKJDFD-HGJUEJDCSA-N 2 1 346.490 3.367 20 0 EGADMP O[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@@H]1F ZINC001172069746 1384717552 /nfs/dbraw/zinc/71/75/52/1384717552.db2.gz UIIOHVRDVKJDFD-HGJUEJDCSA-N 2 1 346.490 3.367 20 0 EGADMP O[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@@H]1F ZINC001172069746 1384717554 /nfs/dbraw/zinc/71/75/54/1384717554.db2.gz UIIOHVRDVKJDFD-HGJUEJDCSA-N 2 1 346.490 3.367 20 0 EGADMP F[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172071453 1384718234 /nfs/dbraw/zinc/71/82/34/1384718234.db2.gz WYSHIRRJCPEGCC-KNJMJIDISA-N 2 1 332.463 3.289 20 0 EGADMP F[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172071453 1384718238 /nfs/dbraw/zinc/71/82/38/1384718238.db2.gz WYSHIRRJCPEGCC-KNJMJIDISA-N 2 1 332.463 3.289 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3cccc(F)c3)CCOCC1)C2 ZINC001172112078 1384729657 /nfs/dbraw/zinc/72/96/57/1384729657.db2.gz RITFGAIMRSXWBY-REPLKXPHSA-N 2 1 332.463 3.436 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3cccc(F)c3)CCOCC1)C2 ZINC001172112078 1384729662 /nfs/dbraw/zinc/72/96/62/1384729662.db2.gz RITFGAIMRSXWBY-REPLKXPHSA-N 2 1 332.463 3.436 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(Cc3ccccc3)CCOCC1)C2 ZINC001172110596 1384730265 /nfs/dbraw/zinc/73/02/65/1384730265.db2.gz KUUCMRFSMWFJQU-ACDBMABISA-N 2 1 328.500 3.383 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(Cc3ccccc3)CCOCC1)C2 ZINC001172110596 1384730268 /nfs/dbraw/zinc/73/02/68/1384730268.db2.gz KUUCMRFSMWFJQU-ACDBMABISA-N 2 1 328.500 3.383 20 0 EGADMP CCOC(=O)C1(C(C)C)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172131892 1384738138 /nfs/dbraw/zinc/73/81/38/1384738138.db2.gz ZFHUVLNEMVFTTM-PIIMJCKOSA-N 2 1 336.520 3.303 20 0 EGADMP CCOC(=O)C1(C(C)C)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172131892 1384738141 /nfs/dbraw/zinc/73/81/41/1384738141.db2.gz ZFHUVLNEMVFTTM-PIIMJCKOSA-N 2 1 336.520 3.303 20 0 EGADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1C(=O)Nc1ccccc1)C2 ZINC001172130550 1384738249 /nfs/dbraw/zinc/73/82/49/1384738249.db2.gz PYEZVULYXDYROQ-MANSERQUSA-N 2 1 327.472 3.105 20 0 EGADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1C(=O)Nc1ccccc1)C2 ZINC001172130550 1384738251 /nfs/dbraw/zinc/73/82/51/1384738251.db2.gz PYEZVULYXDYROQ-MANSERQUSA-N 2 1 327.472 3.105 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1)C2 ZINC001172130550 1384738254 /nfs/dbraw/zinc/73/82/54/1384738254.db2.gz PYEZVULYXDYROQ-MANSERQUSA-N 2 1 327.472 3.105 20 0 EGADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1C(=O)Nc1ccccc1)C2 ZINC001172130550 1384738256 /nfs/dbraw/zinc/73/82/56/1384738256.db2.gz PYEZVULYXDYROQ-MANSERQUSA-N 2 1 327.472 3.105 20 0 EGADMP COCCC[NH+]1CCC([NH2+][C@@H](c2cncc(Cl)c2)C2CC2)CC1 ZINC001172248745 1384755776 /nfs/dbraw/zinc/75/57/76/1384755776.db2.gz OAAZBVQSEWSJEK-GOSISDBHSA-N 2 1 337.895 3.277 20 0 EGADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC001172255170 1384757080 /nfs/dbraw/zinc/75/70/80/1384757080.db2.gz IWCLOEOPYHSYEN-FQEVSTJZSA-N 2 1 330.516 3.442 20 0 EGADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC001172255170 1384757082 /nfs/dbraw/zinc/75/70/82/1384757082.db2.gz IWCLOEOPYHSYEN-FQEVSTJZSA-N 2 1 330.516 3.442 20 0 EGADMP COc1ccccc1C[N@@H+]([C@@H]1COC(C)(C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172281658 1384758501 /nfs/dbraw/zinc/75/85/01/1384758501.db2.gz XOBXMRINHJAJLJ-BZSNNMDCSA-N 2 1 332.488 3.335 20 0 EGADMP COc1cccc(C[N@@H+]([C@H]2COC(C)(C)C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001172282843 1384759108 /nfs/dbraw/zinc/75/91/08/1384759108.db2.gz UYWMTULDGUHHFM-KZNAEPCWSA-N 2 1 332.488 3.335 20 0 EGADMP CCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(CC)CC)CC1 ZINC001317004643 1384764650 /nfs/dbraw/zinc/76/46/50/1384764650.db2.gz BMUNVTSSDJUIRP-GOSISDBHSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172543089 1384810068 /nfs/dbraw/zinc/81/00/68/1384810068.db2.gz KRAXLOHCXIKVCS-IVAOSVALSA-N 2 1 328.500 3.365 20 0 EGADMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172543089 1384810069 /nfs/dbraw/zinc/81/00/69/1384810069.db2.gz KRAXLOHCXIKVCS-IVAOSVALSA-N 2 1 328.500 3.365 20 0 EGADMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172543089 1384810070 /nfs/dbraw/zinc/81/00/70/1384810070.db2.gz KRAXLOHCXIKVCS-IVAOSVALSA-N 2 1 328.500 3.365 20 0 EGADMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CCC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172543089 1384810071 /nfs/dbraw/zinc/81/00/71/1384810071.db2.gz KRAXLOHCXIKVCS-IVAOSVALSA-N 2 1 328.500 3.365 20 0 EGADMP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C1CCC3(CCCC3)CC1)CC2 ZINC001172725709 1384839322 /nfs/dbraw/zinc/83/93/22/1384839322.db2.gz ILLATXDSKQUTDP-UHFFFAOYSA-N 2 1 347.547 3.166 20 0 EGADMP CNC(=O)C[N@H+]1CCCC12CC[NH+](C1CCC3(CCCC3)CC1)CC2 ZINC001172725709 1384839326 /nfs/dbraw/zinc/83/93/26/1384839326.db2.gz ILLATXDSKQUTDP-UHFFFAOYSA-N 2 1 347.547 3.166 20 0 EGADMP COC(=O)[C@@H]1CCC[C@H](N(c2[nH+]cccc2C)C2CC[NH2+]CC2)CC1 ZINC001172802656 1384855437 /nfs/dbraw/zinc/85/54/37/1384855437.db2.gz LAPTUUAPKOEXTA-SJORKVTESA-N 2 1 345.487 3.070 20 0 EGADMP CC(C)(C)OC(=O)C[NH+]1CCC(n2ccc3cccc(C[NH3+])c32)CC1 ZINC001172886099 1384872947 /nfs/dbraw/zinc/87/29/47/1384872947.db2.gz CFTXJPJXSGSZFS-UHFFFAOYSA-N 2 1 343.471 3.079 20 0 EGADMP CCOC[C@H]1C[N@H+](C2CCC([NH+](CC)CC)CC2)Cc2cn(C)nc21 ZINC001173108755 1384916134 /nfs/dbraw/zinc/91/61/34/1384916134.db2.gz AZOVCDDBNKXUPN-LMDPOFIKSA-N 2 1 348.535 3.009 20 0 EGADMP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H](N3CCCC3)[C@@H](F)C2)CC1 ZINC001173117827 1384918826 /nfs/dbraw/zinc/91/88/26/1384918826.db2.gz ZGCSKOFVTRMDMH-BTRQGYIVSA-N 2 1 325.516 3.148 20 0 EGADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](N3CCCC3)[C@@H](F)C2)CC1 ZINC001173117827 1384918830 /nfs/dbraw/zinc/91/88/30/1384918830.db2.gz ZGCSKOFVTRMDMH-BTRQGYIVSA-N 2 1 325.516 3.148 20 0 EGADMP CC[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001173280984 1384950524 /nfs/dbraw/zinc/95/05/24/1384950524.db2.gz QRGTWSUARNEXMI-AYWYSENESA-N 2 1 343.515 3.183 20 0 EGADMP CC[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001173280984 1384950530 /nfs/dbraw/zinc/95/05/30/1384950530.db2.gz QRGTWSUARNEXMI-AYWYSENESA-N 2 1 343.515 3.183 20 0 EGADMP CC[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001173280984 1384950535 /nfs/dbraw/zinc/95/05/35/1384950535.db2.gz QRGTWSUARNEXMI-AYWYSENESA-N 2 1 343.515 3.183 20 0 EGADMP CC[N@H+]1CC[C@H](n2cc(CC[NH3+])c3ccc(Br)cc32)C1 ZINC001173351885 1384963640 /nfs/dbraw/zinc/96/36/40/1384963640.db2.gz FQKJBEBNIGGBHH-AWEZNQCLSA-N 2 1 336.277 3.172 20 0 EGADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001173360165 1384964323 /nfs/dbraw/zinc/96/43/23/1384964323.db2.gz HVZOMDUPTDOIMC-XEYPJELSSA-N 2 1 347.572 3.375 20 0 EGADMP CCN1CC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001173360165 1384964324 /nfs/dbraw/zinc/96/43/24/1384964324.db2.gz HVZOMDUPTDOIMC-XEYPJELSSA-N 2 1 347.572 3.375 20 0 EGADMP CCN1CC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001173360165 1384964326 /nfs/dbraw/zinc/96/43/26/1384964326.db2.gz HVZOMDUPTDOIMC-XEYPJELSSA-N 2 1 347.572 3.375 20 0 EGADMP CC[N@@H+]1CC[C@H](N2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001173360165 1384964328 /nfs/dbraw/zinc/96/43/28/1384964328.db2.gz HVZOMDUPTDOIMC-XEYPJELSSA-N 2 1 347.572 3.375 20 0 EGADMP CC[N@H+]1CC[C@H](N2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001173360165 1384964329 /nfs/dbraw/zinc/96/43/29/1384964329.db2.gz HVZOMDUPTDOIMC-XEYPJELSSA-N 2 1 347.572 3.375 20 0 EGADMP CC[NH+]1CC[C@H](N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001173360165 1384964332 /nfs/dbraw/zinc/96/43/32/1384964332.db2.gz HVZOMDUPTDOIMC-XEYPJELSSA-N 2 1 347.572 3.375 20 0 EGADMP CC[NH+]1CC[C@H](N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001173360165 1384964333 /nfs/dbraw/zinc/96/43/33/1384964333.db2.gz HVZOMDUPTDOIMC-XEYPJELSSA-N 2 1 347.572 3.375 20 0 EGADMP CC[N@H+]1CC[C@H](N2CCC[C@H]([NH+](Cc3ccccc3)C3CC3)C2)C1 ZINC001173368389 1384965533 /nfs/dbraw/zinc/96/55/33/1384965533.db2.gz PFCYVJFVVWZYKU-SFTDATJTSA-N 2 1 327.516 3.210 20 0 EGADMP CC[NH+]1CC[C@H](N2CCC[C@H]([N@H+](Cc3ccccc3)C3CC3)C2)C1 ZINC001173368389 1384965538 /nfs/dbraw/zinc/96/55/38/1384965538.db2.gz PFCYVJFVVWZYKU-SFTDATJTSA-N 2 1 327.516 3.210 20 0 EGADMP CC[NH+]1CC[C@H](N2CCC[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2)C1 ZINC001173368389 1384965543 /nfs/dbraw/zinc/96/55/43/1384965543.db2.gz PFCYVJFVVWZYKU-SFTDATJTSA-N 2 1 327.516 3.210 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001317206099 1384982144 /nfs/dbraw/zinc/98/21/44/1384982144.db2.gz RDSBHMDQWUAIFK-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001317206099 1384982147 /nfs/dbraw/zinc/98/21/47/1384982147.db2.gz RDSBHMDQWUAIFK-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001317206099 1384982149 /nfs/dbraw/zinc/98/21/49/1384982149.db2.gz RDSBHMDQWUAIFK-HKUYNNGSSA-N 2 1 337.552 3.125 20 0 EGADMP CCOC(=O)[C@H]1CC12CCC([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001173606851 1384986869 /nfs/dbraw/zinc/98/68/69/1384986869.db2.gz SOJCHJJVTBEMHN-WEXBMKDWSA-N 2 1 334.504 3.103 20 0 EGADMP CCOC(=O)[C@H]1CC12CCC([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001173606851 1384986874 /nfs/dbraw/zinc/98/68/74/1384986874.db2.gz SOJCHJJVTBEMHN-WEXBMKDWSA-N 2 1 334.504 3.103 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]C/C=C\Cl)C1 ZINC001174881179 1385164045 /nfs/dbraw/zinc/16/40/45/1385164045.db2.gz IUEHDMDHYLYVNX-CJWPDFJNSA-N 2 1 343.943 3.126 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)Cc1ccccc1C ZINC001317490115 1385189732 /nfs/dbraw/zinc/18/97/32/1385189732.db2.gz VHFNDCPTFUWXGC-FQEVSTJZSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)Cc1ccccc1C ZINC001317490115 1385189734 /nfs/dbraw/zinc/18/97/34/1385189734.db2.gz VHFNDCPTFUWXGC-FQEVSTJZSA-N 2 1 345.531 3.196 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)Cc1ccccc1C ZINC001317490115 1385189739 /nfs/dbraw/zinc/18/97/39/1385189739.db2.gz VHFNDCPTFUWXGC-FQEVSTJZSA-N 2 1 345.531 3.196 20 0 EGADMP CC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)CC1CCCCCC1 ZINC001317490187 1385189993 /nfs/dbraw/zinc/18/99/93/1385189993.db2.gz XCSMVWODDLVIHA-UHFFFAOYSA-N 2 1 337.552 3.127 20 0 EGADMP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175256811 1385230518 /nfs/dbraw/zinc/23/05/18/1385230518.db2.gz PKLCSEORPUNUKC-ROUUACIJSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175256258 1385230599 /nfs/dbraw/zinc/23/05/99/1385230599.db2.gz JZYHTSMEPPDEFZ-ROUUACIJSA-N 2 1 337.552 3.316 20 0 EGADMP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175256890 1385230637 /nfs/dbraw/zinc/23/06/37/1385230637.db2.gz PVZJCEMHQJPUIP-QZTJIDSGSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175262647 1385233152 /nfs/dbraw/zinc/23/31/52/1385233152.db2.gz JCGJJWAJRHKBMM-MSOLQXFVSA-N 2 1 335.536 3.093 20 0 EGADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175271395 1385236284 /nfs/dbraw/zinc/23/62/84/1385236284.db2.gz AYRAJLWLUVOJNJ-QGZVFWFLSA-N 2 1 325.541 3.173 20 0 EGADMP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175295607 1385242249 /nfs/dbraw/zinc/24/22/49/1385242249.db2.gz HLZRHDMZMFOILN-DLBZAZTESA-N 2 1 327.557 3.275 20 0 EGADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001175572751 1385335451 /nfs/dbraw/zinc/33/54/51/1385335451.db2.gz KWSBURPMEOUIEN-QZTJIDSGSA-N 2 1 325.541 3.170 20 0 EGADMP CCC[NH2+][C@@H](C)C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001317675761 1385382190 /nfs/dbraw/zinc/38/21/90/1385382190.db2.gz MYIRQUVCGVUJSC-KRWDZBQOSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001176025001 1385465147 /nfs/dbraw/zinc/46/51/47/1385465147.db2.gz WIOOESRLMJCGGG-QGZVFWFLSA-N 2 1 325.541 3.173 20 0 EGADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCF ZINC001176112324 1385487747 /nfs/dbraw/zinc/48/77/47/1385487747.db2.gz POEAKPSNMYVPAH-ZWKOTPCHSA-N 2 1 343.531 3.265 20 0 EGADMP CC[C@@H](C)C[N@H+]1CC[C@@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317805128 1385501503 /nfs/dbraw/zinc/50/15/03/1385501503.db2.gz JAVDFFKBSMJCMB-IEBWSBKVSA-N 2 1 345.531 3.236 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CCC(C)CC1 ZINC001176285720 1385538752 /nfs/dbraw/zinc/53/87/52/1385538752.db2.gz PVKBGRCLVROXMU-JLAWEPINSA-N 2 1 339.568 3.419 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001176283907 1385538960 /nfs/dbraw/zinc/53/89/60/1385538960.db2.gz ARBDEIOSCQZFCY-QGZVFWFLSA-N 2 1 325.541 3.173 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCC1CCCC1 ZINC001176286832 1385540060 /nfs/dbraw/zinc/54/00/60/1385540060.db2.gz YPPDYGIGKWIHTR-KRWDZBQOSA-N 2 1 325.541 3.173 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1csc(C)c1 ZINC001176286122 1385540079 /nfs/dbraw/zinc/54/00/79/1385540079.db2.gz UHXROAQATJVJKX-OAHLLOKOSA-N 2 1 339.549 3.163 20 0 EGADMP CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317862107 1385547353 /nfs/dbraw/zinc/54/73/53/1385547353.db2.gz GRTJWICYRXARRG-PMACEKPBSA-N 2 1 345.531 3.086 20 0 EGADMP CC[C@@H](C(=O)N(Cc1ccccc1)[C@@H]1CCC[N@H+](C(C)C)C1)[NH+](C)C ZINC001317865440 1385549107 /nfs/dbraw/zinc/54/91/07/1385549107.db2.gz KXLJEZQXVJWEHN-UXHICEINSA-N 2 1 345.531 3.228 20 0 EGADMP CC(C)C[N@@H+](C)CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001317884573 1385563367 /nfs/dbraw/zinc/56/33/67/1385563367.db2.gz UHRVZBQICHCMGJ-UHFFFAOYSA-N 2 1 337.552 3.079 20 0 EGADMP Cc1cccc(C)c1C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563965 1385626239 /nfs/dbraw/zinc/62/62/39/1385626239.db2.gz IWJWQTIAGLUPIZ-RBUKOAKNSA-N 2 1 345.531 3.020 20 0 EGADMP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176564137 1385626468 /nfs/dbraw/zinc/62/64/68/1385626468.db2.gz LWMXLKCPDFYUAX-SJORKVTESA-N 2 1 325.541 3.029 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001176591792 1385634622 /nfs/dbraw/zinc/63/46/22/1385634622.db2.gz PIFLJOSAMDUWJO-INIZCTEOSA-N 2 1 334.508 3.036 20 0 EGADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+][C@H](C)c1ccccc1 ZINC001176759567 1385687161 /nfs/dbraw/zinc/68/71/61/1385687161.db2.gz JZODPCHDMFOOAO-ZWKOTPCHSA-N 2 1 333.520 3.352 20 0 EGADMP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001176759846 1385687260 /nfs/dbraw/zinc/68/72/60/1385687260.db2.gz MJHRIQRJSGTRCC-FXAWDEMLSA-N 2 1 345.531 3.354 20 0 EGADMP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC)c1ccc(F)cc1 ZINC001176992661 1385766890 /nfs/dbraw/zinc/76/68/90/1385766890.db2.gz WZQLUXVWNWFORP-OALUTQOASA-N 2 1 349.494 3.247 20 0 EGADMP CCC(CC)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001318632214 1385806191 /nfs/dbraw/zinc/80/61/91/1385806191.db2.gz KDONHBRKBNUNIJ-GOSISDBHSA-N 2 1 337.552 3.314 20 0 EGADMP COc1ccccc1N1CCC([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001177210155 1385864673 /nfs/dbraw/zinc/86/46/73/1385864673.db2.gz YSEHRJXCHBFHKU-FQEVSTJZSA-N 2 1 345.531 3.374 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001177317299 1385912382 /nfs/dbraw/zinc/91/23/82/1385912382.db2.gz UABHPTVOBUKDNG-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001177348176 1385923040 /nfs/dbraw/zinc/92/30/40/1385923040.db2.gz BEQYRNMEZNVNJJ-OALUTQOASA-N 2 1 335.536 3.022 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001177348209 1385923273 /nfs/dbraw/zinc/92/32/73/1385923273.db2.gz CPDIWRLQRMOZJZ-WOJBJXKFSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](CC2CCC2)CC1 ZINC001319027048 1385932816 /nfs/dbraw/zinc/93/28/16/1385932816.db2.gz HJPVIQDETBECFU-HXUWFJFHSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001177415865 1385948830 /nfs/dbraw/zinc/94/88/30/1385948830.db2.gz MKEIZUGVVZTMPL-LJQANCHMSA-N 2 1 349.563 3.293 20 0 EGADMP CCC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1C(C)C ZINC001177433320 1385954371 /nfs/dbraw/zinc/95/43/71/1385954371.db2.gz BKNOYKPMVYKIIY-UHFFFAOYSA-N 2 1 348.535 3.415 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N1CCC2(CC[NH+](CC3CC(C)C3)C2)CC1 ZINC001319144093 1385977526 /nfs/dbraw/zinc/97/75/26/1385977526.db2.gz ACIZUFWFFPWBOY-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC2(CC[N@H+](CC3CC(C)C3)C2)CC1 ZINC001319144093 1385977529 /nfs/dbraw/zinc/97/75/29/1385977529.db2.gz ACIZUFWFFPWBOY-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP CCC[NH+](C)CCC(=O)N1CCC2(CC[N@@H+](CC3CC(C)C3)C2)CC1 ZINC001319144093 1385977536 /nfs/dbraw/zinc/97/75/36/1385977536.db2.gz ACIZUFWFFPWBOY-UHFFFAOYSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCC2)CCCC1 ZINC001319363380 1386081300 /nfs/dbraw/zinc/08/13/00/1386081300.db2.gz ZFPFFGCIOWHPHJ-SFHVURJKSA-N 2 1 335.536 3.070 20 0 EGADMP CC(C)C[NH+]1CC2(C1)CCN(C(=O)CC[N@@H+](C)C1CCCCC1)CC2 ZINC001319402707 1386105386 /nfs/dbraw/zinc/10/53/86/1386105386.db2.gz NIBLPCAVHUYQRH-UHFFFAOYSA-N 2 1 349.563 3.221 20 0 EGADMP CC1CC(C[NH2+]CCCCCCNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001178698637 1386281654 /nfs/dbraw/zinc/28/16/54/1386281654.db2.gz PIMXWVJBASHFLU-DAWZGUTISA-N 2 1 346.519 3.073 20 0 EGADMP CC(C)=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707942 1386285315 /nfs/dbraw/zinc/28/53/15/1386285315.db2.gz OZJQRHALHBHSLK-BJLQDIEVSA-N 2 1 347.547 3.186 20 0 EGADMP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001178810289 1386314182 /nfs/dbraw/zinc/31/41/82/1386314182.db2.gz BHJBENBGEDMPBW-RBUKOAKNSA-N 2 1 337.552 3.460 20 0 EGADMP O=C(NCCCCCC[NH2+]CCC1CC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001178811697 1386314926 /nfs/dbraw/zinc/31/49/26/1386314926.db2.gz ZBXOXOCQRDDLLR-RBUKOAKNSA-N 2 1 335.536 3.070 20 0 EGADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001178915196 1386346916 /nfs/dbraw/zinc/34/69/16/1386346916.db2.gz AWWAEVHGAVTPRS-MOPGFXCFSA-N 2 1 339.568 3.419 20 0 EGADMP Cc1cccc([C@@H](C)[NH2+][C@H](CNC(=O)C[N@@H+](C)C2CCC2)C(C)C)c1 ZINC001319917134 1386389218 /nfs/dbraw/zinc/38/92/18/1386389218.db2.gz JVMCRAJYWGIALL-YLJYHZDGSA-N 2 1 345.531 3.271 20 0 EGADMP CC(C)[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001319919741 1386391739 /nfs/dbraw/zinc/39/17/39/1386391739.db2.gz XBDKSFWRVJKHMX-KXBFYZLASA-N 2 1 349.494 3.101 20 0 EGADMP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001319919739 1386391836 /nfs/dbraw/zinc/39/18/36/1386391836.db2.gz XBDKSFWRVJKHMX-DNVCBOLYSA-N 2 1 349.494 3.101 20 0 EGADMP CCC[NH2+]CCCCCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001179134681 1386407303 /nfs/dbraw/zinc/40/73/03/1386407303.db2.gz QQOFFMAYSHICON-UHFFFAOYSA-N 2 1 325.541 3.317 20 0 EGADMP C[C@H](C(=O)N(C)CC[N@@H+](C)CC1CCCCC1)[NH+]1CCCCCC1 ZINC001320059973 1386482426 /nfs/dbraw/zinc/48/24/26/1386482426.db2.gz VWJYCGSHTDBWKA-GOSISDBHSA-N 2 1 337.552 3.221 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001179550203 1386511879 /nfs/dbraw/zinc/51/18/79/1386511879.db2.gz REKYMJSIAHAZJH-SQNIBIBYSA-N 2 1 339.568 3.226 20 0 EGADMP C[C@H]1CCC[N@H+]1CC(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001179580997 1386522157 /nfs/dbraw/zinc/52/21/57/1386522157.db2.gz ZDTNUMAUCFGETC-KRWDZBQOSA-N 2 1 325.541 3.173 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NCCCCCC[NH2+]CC2CCCCC2)C1 ZINC001179586143 1386524084 /nfs/dbraw/zinc/52/40/84/1386524084.db2.gz MZWCVMCOCYCKJL-SFHVURJKSA-N 2 1 337.552 3.175 20 0 EGADMP C[C@H]([NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC001179585709 1386524460 /nfs/dbraw/zinc/52/44/60/1386524460.db2.gz JRXQJGJUUCVXRN-MOPGFXCFSA-N 2 1 345.531 3.356 20 0 EGADMP CC(C)(C)CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001179592585 1386526484 /nfs/dbraw/zinc/52/64/84/1386526484.db2.gz IMSNRKRBCZWBLT-UHFFFAOYSA-N 2 1 339.568 3.421 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccccc2)[C@@H]1C ZINC001179983128 1386658320 /nfs/dbraw/zinc/65/83/20/1386658320.db2.gz LZDGHTLCWUINNV-UHOSZYNNSA-N 2 1 331.504 3.059 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccc(C)cc1C ZINC001179989256 1386660016 /nfs/dbraw/zinc/66/00/16/1386660016.db2.gz WNQVTMXPBWGPJY-UHFFFAOYSA-N 2 1 347.547 3.411 20 0 EGADMP CCC[NH2+]CCCCCCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001180039970 1386677887 /nfs/dbraw/zinc/67/78/87/1386677887.db2.gz SNSDCOCKYFHZIQ-IBGZPJMESA-N 2 1 333.520 3.356 20 0 EGADMP Cc1cccc(C[NH2+]CCCCCCNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001180060693 1386683834 /nfs/dbraw/zinc/68/38/34/1386683834.db2.gz LROGZBFFDCKZAG-FQEVSTJZSA-N 2 1 345.531 3.103 20 0 EGADMP CCOc1cccc(F)c1C[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC001180080463 1386690668 /nfs/dbraw/zinc/69/06/68/1386690668.db2.gz BGTUGGNJOPBVIK-MRXNPFEDSA-N 2 1 338.467 3.157 20 0 EGADMP CCOc1cccc(F)c1C[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC001180080463 1386690670 /nfs/dbraw/zinc/69/06/70/1386690670.db2.gz BGTUGGNJOPBVIK-MRXNPFEDSA-N 2 1 338.467 3.157 20 0 EGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001320739847 1386705630 /nfs/dbraw/zinc/70/56/30/1386705630.db2.gz ODJMMWJQDRSJGU-GOSISDBHSA-N 2 1 345.531 3.196 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001320787969 1386718882 /nfs/dbraw/zinc/71/88/82/1386718882.db2.gz LBGNFZVCOMOUFB-INIZCTEOSA-N 2 1 336.549 3.358 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001320787969 1386718885 /nfs/dbraw/zinc/71/88/85/1386718885.db2.gz LBGNFZVCOMOUFB-INIZCTEOSA-N 2 1 336.549 3.358 20 0 EGADMP CCN(CC[NH2+][C@@H](C)c1cccc(C)c1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001320840971 1386735275 /nfs/dbraw/zinc/73/52/75/1386735275.db2.gz ONEYWBBXMOZMJH-SFHVURJKSA-N 2 1 347.547 3.472 20 0 EGADMP Cc1ccc(C[NH2+]CCCCCCNC(=O)C[N@H+](C)C(C)C)cc1 ZINC001180369579 1386775687 /nfs/dbraw/zinc/77/56/87/1386775687.db2.gz MKBVIKCFQSGRRY-UHFFFAOYSA-N 2 1 333.520 3.101 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001180369678 1386777225 /nfs/dbraw/zinc/77/72/25/1386777225.db2.gz RUMNUSKCAKBSIT-UHFFFAOYSA-N 2 1 325.541 3.173 20 0 EGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3cnn(C)c3)cc2)C1 ZINC001321196423 1386838229 /nfs/dbraw/zinc/83/82/29/1386838229.db2.gz NYRMLVHNHRKTRK-SFHVURJKSA-N 2 1 326.488 3.251 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)cc2)C1 ZINC001321196423 1386838234 /nfs/dbraw/zinc/83/82/34/1386838234.db2.gz NYRMLVHNHRKTRK-SFHVURJKSA-N 2 1 326.488 3.251 20 0 EGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)cc2)C1 ZINC001321196423 1386838238 /nfs/dbraw/zinc/83/82/38/1386838238.db2.gz NYRMLVHNHRKTRK-SFHVURJKSA-N 2 1 326.488 3.251 20 0 EGADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@]1(C)C[NH2+]CCC1CCCCC1 ZINC001180899535 1386893812 /nfs/dbraw/zinc/89/38/12/1386893812.db2.gz OUNAMLSTTHDVSI-SLYNCCJLSA-N 2 1 349.563 3.125 20 0 EGADMP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181440457 1386994687 /nfs/dbraw/zinc/99/46/87/1386994687.db2.gz GPUUWCYGRGMKAQ-VWICVCDTSA-N 2 1 349.563 3.290 20 0 EGADMP CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001181467673 1386999343 /nfs/dbraw/zinc/99/93/43/1386999343.db2.gz AIKKMNFPZZSTTI-DBXWQHBBSA-N 2 1 349.563 3.125 20 0 EGADMP CCC(CC)(CNC(=O)OC(C)(C)C)C[N@@H+](C)CCC[NH+](C)C ZINC001181554401 1387016200 /nfs/dbraw/zinc/01/62/00/1387016200.db2.gz CDKCESPFSMJKOS-UHFFFAOYSA-N 2 1 329.529 3.201 20 0 EGADMP CCCCC[N@@H+](C)CCC(=O)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001181866490 1387066409 /nfs/dbraw/zinc/06/64/09/1387066409.db2.gz YULHWFJEKAEGNP-UHFFFAOYSA-N 2 1 343.515 3.167 20 0 EGADMP CC[NH+]1CCC(C[N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)CC1 ZINC001181995755 1387089476 /nfs/dbraw/zinc/08/94/76/1387089476.db2.gz FTVNRUWYOYDNRH-UHFFFAOYSA-N 2 1 331.508 3.070 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001322274948 1387134370 /nfs/dbraw/zinc/13/43/70/1387134370.db2.gz RZDYBNPZKMBCRT-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001322274948 1387134372 /nfs/dbraw/zinc/13/43/72/1387134372.db2.gz RZDYBNPZKMBCRT-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001322274948 1387134375 /nfs/dbraw/zinc/13/43/75/1387134375.db2.gz RZDYBNPZKMBCRT-CABCVRRESA-N 2 1 339.911 3.179 20 0 EGADMP Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)NCCCCC[NH+](C)C)C1 ZINC001182341735 1387152664 /nfs/dbraw/zinc/15/26/64/1387152664.db2.gz SLPAIUJRVHCVTM-HXUWFJFHSA-N 2 1 345.531 3.055 20 0 EGADMP C[NH+](C)C1(C(=O)Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)CC1 ZINC001182601398 1387194953 /nfs/dbraw/zinc/19/49/53/1387194953.db2.gz UUXSEWUGOODBRF-IBGZPJMESA-N 2 1 341.499 3.063 20 0 EGADMP CC[C@H](C)C[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001182776386 1387223248 /nfs/dbraw/zinc/22/32/48/1387223248.db2.gz WHYPMHOHBUEXNL-SQGPQFPESA-N 2 1 348.535 3.127 20 0 EGADMP O[C@@H]1CC[N@H+](C2CCN(Cc3ccc(-c4ccccc4)s3)CC2)C1 ZINC001330413280 1389405960 /nfs/dbraw/zinc/40/59/60/1389405960.db2.gz UCHKBKPGJMPCHA-GOSISDBHSA-N 2 1 342.508 3.446 20 0 EGADMP Cc1csc([C@@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)n1 ZINC001331298527 1389690749 /nfs/dbraw/zinc/69/07/49/1389690749.db2.gz VWUUJUBPCBUSGJ-OAHLLOKOSA-N 2 1 330.501 3.054 20 0 EGADMP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@H+]3C(C)(C)C)CC2)CC1 ZINC001332772729 1390185102 /nfs/dbraw/zinc/18/51/02/1390185102.db2.gz ZRALNCRMWZWSMZ-ABHNRTSZSA-N 2 1 335.536 3.019 20 0 EGADMP CCc1onc(C)c1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001333669100 1390369729 /nfs/dbraw/zinc/36/97/29/1390369729.db2.gz VHNTUYZENRHEDL-GOSISDBHSA-N 2 1 327.472 3.200 20 0 EGADMP CCc1onc(C)c1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001333669100 1390369733 /nfs/dbraw/zinc/36/97/33/1390369733.db2.gz VHNTUYZENRHEDL-GOSISDBHSA-N 2 1 327.472 3.200 20 0 EGADMP C[C@H](CC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)C1CC[NH2+]CC1 ZINC001341497939 1390494707 /nfs/dbraw/zinc/49/47/07/1390494707.db2.gz SQOMKXRSXWGHQY-OAHLLOKOSA-N 2 1 330.476 3.036 20 0 EGADMP CC(C)c1[nH+]ccn1CC[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC001335315524 1390671114 /nfs/dbraw/zinc/67/11/14/1390671114.db2.gz YEQXIMAQFIISBQ-HXUWFJFHSA-N 2 1 337.467 3.353 20 0 EGADMP Cc1nc(N2CCCCC2)sc1CNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC001343338385 1390708130 /nfs/dbraw/zinc/70/81/30/1390708130.db2.gz ZSVVUGMNHVGTFI-INIZCTEOSA-N 2 1 336.549 3.262 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001343338385 1390708131 /nfs/dbraw/zinc/70/81/31/1390708131.db2.gz ZSVVUGMNHVGTFI-INIZCTEOSA-N 2 1 336.549 3.262 20 0 EGADMP Cc1nc(N2CCCCC2)sc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC001343338385 1390708132 /nfs/dbraw/zinc/70/81/32/1390708132.db2.gz ZSVVUGMNHVGTFI-INIZCTEOSA-N 2 1 336.549 3.262 20 0 EGADMP CN(C)c1ncc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC001344534025 1390797937 /nfs/dbraw/zinc/79/79/37/1390797937.db2.gz IQUZGCNUEJHWRT-LJQANCHMSA-N 2 1 344.528 3.211 20 0 EGADMP CN(C)c1ncc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC001344534025 1390797938 /nfs/dbraw/zinc/79/79/38/1390797938.db2.gz IQUZGCNUEJHWRT-LJQANCHMSA-N 2 1 344.528 3.211 20 0 EGADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CN3C[C@](C)(C4CCCC4)CC3=O)C[C@@H]2C1 ZINC001345108203 1390837738 /nfs/dbraw/zinc/83/77/38/1390837738.db2.gz JDONQLPWMXOTMT-SHJAMOMRSA-N 2 1 347.547 3.035 20 0 EGADMP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCCC1 ZINC001698797420 1406468253 /nfs/dbraw/zinc/46/82/53/1406468253.db2.gz QEQRWIVUPONCIV-SFHVURJKSA-N 2 1 335.536 3.068 20 0 EGADMP Cc1ccc2cc(C[NH+]3CCC([NH2+]C4CCOCC4)CC3)ccc2n1 ZINC001353605621 1392048886 /nfs/dbraw/zinc/04/88/86/1392048886.db2.gz TUNQIZXRNILWLR-UHFFFAOYSA-N 2 1 339.483 3.276 20 0 EGADMP C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001479964403 1392500030 /nfs/dbraw/zinc/50/00/30/1392500030.db2.gz VGCRKFRVNZIYJE-HZPDHXFCSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001479964403 1392500033 /nfs/dbraw/zinc/50/00/33/1392500033.db2.gz VGCRKFRVNZIYJE-HZPDHXFCSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](c1ccccc1F)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001479964403 1392500036 /nfs/dbraw/zinc/50/00/36/1392500036.db2.gz VGCRKFRVNZIYJE-HZPDHXFCSA-N 2 1 349.494 3.055 20 0 EGADMP C[C@H](c1ccccc1F)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001479964403 1392500038 /nfs/dbraw/zinc/50/00/38/1392500038.db2.gz VGCRKFRVNZIYJE-HZPDHXFCSA-N 2 1 349.494 3.055 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc2ccccc2c1 ZINC001698862702 1406574647 /nfs/dbraw/zinc/57/46/47/1406574647.db2.gz UHTLGLXHFKJTJS-KRWDZBQOSA-N 2 1 341.499 3.118 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+]Cc2ccc(CC)cc2)CC1 ZINC001480410365 1392746466 /nfs/dbraw/zinc/74/64/66/1392746466.db2.gz GYVLAAHYVLRSGJ-UHFFFAOYSA-N 2 1 345.531 3.108 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C[NH2+][C@@H](C)c1ccccc1)CC(C)C ZINC001698878202 1406604682 /nfs/dbraw/zinc/60/46/82/1406604682.db2.gz JGXQXNJFBIRLKS-QFBILLFUSA-N 2 1 342.487 3.073 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1CCCc2ccccc21 ZINC001480981190 1393064881 /nfs/dbraw/zinc/06/48/81/1393064881.db2.gz ASPOXUPHCRIJMW-PMACEKPBSA-N 2 1 345.531 3.088 20 0 EGADMP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC[N@H+]2CCCC2CCCC2)CC1 ZINC001481060864 1393109903 /nfs/dbraw/zinc/10/99/03/1393109903.db2.gz MPVLAAGHKXOCES-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CCCCCC3)C2)CC1 ZINC001481499841 1394345477 /nfs/dbraw/zinc/34/54/77/1394345477.db2.gz YJDBHBWNZCVTQM-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1ccccc1 ZINC001491269968 1394498374 /nfs/dbraw/zinc/49/83/74/1394498374.db2.gz TVPGSHNCIFEXNE-HKUYNNGSSA-N 2 1 331.504 3.060 20 0 EGADMP CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001482020555 1394676902 /nfs/dbraw/zinc/67/69/02/1394676902.db2.gz JBFHGQQPNIHQRM-FCGDIQPGSA-N 2 1 337.552 3.027 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001482020559 1394677209 /nfs/dbraw/zinc/67/72/09/1394677209.db2.gz JBFHGQQPNIHQRM-RDGPPVDQSA-N 2 1 337.552 3.027 20 0 EGADMP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@@H+](CCCC3CCC3)CC2)CCC1 ZINC001484716622 1395476410 /nfs/dbraw/zinc/47/64/10/1395476410.db2.gz OAJFUPWRGDEAGC-GOSISDBHSA-N 2 1 335.536 3.022 20 0 EGADMP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001484728328 1395492158 /nfs/dbraw/zinc/49/21/58/1395492158.db2.gz MJFKYNFLXUNCGE-HXUWFJFHSA-N 2 1 349.563 3.413 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2C)[C@@H](C)C1 ZINC001484985247 1395628728 /nfs/dbraw/zinc/62/87/28/1395628728.db2.gz DOCCKPDCDUBGAL-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C)[C@@H](C)C1 ZINC001484985247 1395628730 /nfs/dbraw/zinc/62/87/30/1395628730.db2.gz DOCCKPDCDUBGAL-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C)[C@@H](C)C1 ZINC001484985247 1395628737 /nfs/dbraw/zinc/62/87/37/1395628737.db2.gz DOCCKPDCDUBGAL-ICSRJNTNSA-N 2 1 345.531 3.196 20 0 EGADMP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@@H+](C)Cc1ccc(F)cc1 ZINC001485304223 1395780723 /nfs/dbraw/zinc/78/07/23/1395780723.db2.gz VCTWGEHTYCHUOB-INIZCTEOSA-N 2 1 349.494 3.027 20 0 EGADMP CC(C)c1ccc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC001698993520 1406787945 /nfs/dbraw/zinc/78/79/45/1406787945.db2.gz JIDQGXMJRCMNNK-FQEVSTJZSA-N 2 1 345.531 3.185 20 0 EGADMP CC(C)c1ccc(C[NH+](C)CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001698993520 1406787949 /nfs/dbraw/zinc/78/79/49/1406787949.db2.gz JIDQGXMJRCMNNK-FQEVSTJZSA-N 2 1 345.531 3.185 20 0 EGADMP CC(C)c1ccc(C[NH+](C)CCN(C)C(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001698993520 1406787951 /nfs/dbraw/zinc/78/79/51/1406787951.db2.gz JIDQGXMJRCMNNK-FQEVSTJZSA-N 2 1 345.531 3.185 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)CCN(C)[C@H](C)c1ccccc1Cl ZINC001699001865 1406814489 /nfs/dbraw/zinc/81/44/89/1406814489.db2.gz DIYUTZKICNBYOY-OAHLLOKOSA-N 2 1 339.911 3.133 20 0 EGADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)[C@H](C)c1ccccc1Cl ZINC001699001865 1406814499 /nfs/dbraw/zinc/81/44/99/1406814499.db2.gz DIYUTZKICNBYOY-OAHLLOKOSA-N 2 1 339.911 3.133 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)[C@H](C)c1ccccc1Cl ZINC001699001865 1406814504 /nfs/dbraw/zinc/81/45/04/1406814504.db2.gz DIYUTZKICNBYOY-OAHLLOKOSA-N 2 1 339.911 3.133 20 0 EGADMP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC001699001865 1406814510 /nfs/dbraw/zinc/81/45/10/1406814510.db2.gz DIYUTZKICNBYOY-OAHLLOKOSA-N 2 1 339.911 3.133 20 0 EGADMP CC[N@@H+](CCNC(=O)CCc1cncn1C)CC1CCC(C)(C)CC1 ZINC001493050468 1396334413 /nfs/dbraw/zinc/33/44/13/1396334413.db2.gz KSVBAAMLZWFVEW-UHFFFAOYSA-N 2 1 348.535 3.007 20 0 EGADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCCCC1)[NH+](C)C ZINC001493138024 1396337841 /nfs/dbraw/zinc/33/78/41/1396337841.db2.gz NZNVJRKYBXHMBY-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2CC)C1 ZINC001494862214 1396501190 /nfs/dbraw/zinc/50/11/90/1396501190.db2.gz DHSRMROXGKJLOD-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2CC)C1 ZINC001494862214 1396501194 /nfs/dbraw/zinc/50/11/94/1396501194.db2.gz DHSRMROXGKJLOD-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2CC)C1 ZINC001494862214 1396501198 /nfs/dbraw/zinc/50/11/98/1396501198.db2.gz DHSRMROXGKJLOD-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCC(CC)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001689902850 1404196351 /nfs/dbraw/zinc/19/63/51/1404196351.db2.gz NTYMTGSITDTKKS-LPHOPBHVSA-N 2 1 337.552 3.266 20 0 EGADMP CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001690198040 1404409316 /nfs/dbraw/zinc/40/93/16/1404409316.db2.gz ZYMIGKYBZOBFOS-IBGZPJMESA-N 2 1 349.563 3.079 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001690391624 1404531209 /nfs/dbraw/zinc/53/12/09/1404531209.db2.gz FGSLTQDPSVTMPP-QUCCMNQESA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]([C@@H](CC)c2ccccc2)C1 ZINC001690391624 1404531213 /nfs/dbraw/zinc/53/12/13/1404531213.db2.gz FGSLTQDPSVTMPP-QUCCMNQESA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC001690391624 1404531223 /nfs/dbraw/zinc/53/12/23/1404531223.db2.gz FGSLTQDPSVTMPP-QUCCMNQESA-N 2 1 345.531 3.308 20 0 EGADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](Cc2cccc(C)c2)C1 ZINC001690392446 1404533559 /nfs/dbraw/zinc/53/35/59/1404533559.db2.gz XUCBSAPGCHVROO-FQEVSTJZSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC001690392446 1404533564 /nfs/dbraw/zinc/53/35/64/1404533564.db2.gz XUCBSAPGCHVROO-FQEVSTJZSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC001690392446 1404533566 /nfs/dbraw/zinc/53/35/66/1404533566.db2.gz XUCBSAPGCHVROO-FQEVSTJZSA-N 2 1 345.531 3.055 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001690392515 1404533671 /nfs/dbraw/zinc/53/36/71/1404533671.db2.gz ZOSSZHUECRYURN-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001690392515 1404533675 /nfs/dbraw/zinc/53/36/75/1404533675.db2.gz ZOSSZHUECRYURN-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001690392515 1404533679 /nfs/dbraw/zinc/53/36/79/1404533679.db2.gz ZOSSZHUECRYURN-IAGOWNOFSA-N 2 1 349.494 3.057 20 0 EGADMP CC[C@@H]([NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1ccccc1 ZINC001690713900 1404696393 /nfs/dbraw/zinc/69/63/93/1404696393.db2.gz ZDZZIMMGRFBPBM-FXAWDEMLSA-N 2 1 343.515 3.060 20 0 EGADMP C[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)c1ccccc1F)[NH+]1CCCCCC1 ZINC001690981849 1404894726 /nfs/dbraw/zinc/89/47/26/1404894726.db2.gz HOULPMDTEKATIU-DLBZAZTESA-N 2 1 349.494 3.199 20 0 EGADMP C[C@H](C(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1F)[NH+]1CCCCCC1 ZINC001690981849 1404894728 /nfs/dbraw/zinc/89/47/28/1404894728.db2.gz HOULPMDTEKATIU-DLBZAZTESA-N 2 1 349.494 3.199 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC001691114802 1405056338 /nfs/dbraw/zinc/05/63/38/1405056338.db2.gz WQBYPNOASKTKAD-YSIASYRMSA-N 2 1 349.563 3.173 20 0 EGADMP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001691147345 1405080329 /nfs/dbraw/zinc/08/03/29/1405080329.db2.gz UTRIXINEPGOWCP-NCXUSEDFSA-N 2 1 337.552 3.026 20 0 EGADMP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001691463013 1405284585 /nfs/dbraw/zinc/28/45/85/1405284585.db2.gz DHXSWYBKPBXOLQ-JENIJYKNSA-N 2 1 345.531 3.210 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1F ZINC001691500509 1405304713 /nfs/dbraw/zinc/30/47/13/1405304713.db2.gz PQTVFPOSRHMMRY-QFBILLFUSA-N 2 1 349.494 3.198 20 0 EGADMP CC(C)C[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001692384521 1405990060 /nfs/dbraw/zinc/99/00/60/1405990060.db2.gz QBZQIIZXAHCZMO-AABGKKOBSA-N 2 1 349.563 3.220 20 0 EGADMP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001698586377 1406202821 /nfs/dbraw/zinc/20/28/21/1406202821.db2.gz BTJNCYRSWOUGEB-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCN(C(=O)CC[N@H+](C)CC)[C@H]1CC[NH+](Cc2ccc(C)cc2C)C1 ZINC001698586377 1406202824 /nfs/dbraw/zinc/20/28/24/1406202824.db2.gz BTJNCYRSWOUGEB-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CCN(C(=O)CC[N@@H+](C)CC)[C@H]1CC[NH+](Cc2ccc(C)cc2C)C1 ZINC001698586377 1406202827 /nfs/dbraw/zinc/20/28/27/1406202827.db2.gz BTJNCYRSWOUGEB-FQEVSTJZSA-N 2 1 345.531 3.068 20 0 EGADMP CC(C)C[NH2+][C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1 ZINC001732021673 1428239074 /nfs/dbraw/zinc/23/90/74/1428239074.db2.gz JPOCGHNSPRXLOB-SFHVURJKSA-N 2 1 333.520 3.067 20 0 EGADMP O=C(NCC[C@H]1CC[N@@H+](CCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001732051374 1428291041 /nfs/dbraw/zinc/29/10/41/1428291041.db2.gz SQZOOTBFLWIFFJ-IBGZPJMESA-N 2 1 347.547 3.023 20 0 EGADMP Cc1cc(C)cc(C[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC001732360751 1428548111 /nfs/dbraw/zinc/54/81/11/1428548111.db2.gz MIQSZIUHLORMCA-SFHVURJKSA-N 2 1 347.547 3.123 20 0 EGADMP CC[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001699606806 1412970670 /nfs/dbraw/zinc/97/06/70/1412970670.db2.gz OSVPXUIBFFCNHF-OALUTQOASA-N 2 1 337.552 3.125 20 0 EGADMP CCCC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)C1CCCCCC1 ZINC001699684828 1413081624 /nfs/dbraw/zinc/08/16/24/1413081624.db2.gz TVLBDMPEWYXGJK-UHFFFAOYSA-N 2 1 334.508 3.133 20 0 EGADMP CCCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)C1CCCCCC1 ZINC001699684828 1413081630 /nfs/dbraw/zinc/08/16/30/1413081630.db2.gz TVLBDMPEWYXGJK-UHFFFAOYSA-N 2 1 334.508 3.133 20 0 EGADMP CCC[N@H+]1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001699694413 1413102610 /nfs/dbraw/zinc/10/26/10/1413102610.db2.gz DQPZXLMCZBPVGW-FQEVSTJZSA-N 2 1 349.563 3.223 20 0 EGADMP Cc1nccn1CCCC(=O)N[C@@]1(C)CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001699856852 1413288395 /nfs/dbraw/zinc/28/83/95/1413288395.db2.gz XZEOCKSIWLFAMB-PXNSSMCTSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@]1(C)CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC001699856852 1413288397 /nfs/dbraw/zinc/28/83/97/1413288397.db2.gz XZEOCKSIWLFAMB-PXNSSMCTSA-N 2 1 348.535 3.235 20 0 EGADMP Cc1[nH+]ccn1CCCC(=O)N[C@@]1(C)CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001699856852 1413288401 /nfs/dbraw/zinc/28/84/01/1413288401.db2.gz XZEOCKSIWLFAMB-PXNSSMCTSA-N 2 1 348.535 3.235 20 0 EGADMP CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001699863838 1413299226 /nfs/dbraw/zinc/29/92/26/1413299226.db2.gz CJZFLTLLEITKFN-SFHVURJKSA-N 2 1 337.552 3.268 20 0 EGADMP CC(C)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001732547932 1428725417 /nfs/dbraw/zinc/72/54/17/1428725417.db2.gz PJQHVFQCIWHTOM-IBGZPJMESA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001732547932 1428725420 /nfs/dbraw/zinc/72/54/20/1428725420.db2.gz PJQHVFQCIWHTOM-IBGZPJMESA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001732547932 1428725424 /nfs/dbraw/zinc/72/54/24/1428725424.db2.gz PJQHVFQCIWHTOM-IBGZPJMESA-N 2 1 337.552 3.076 20 0 EGADMP CC(C)[N@@H+](C)CCC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001732551103 1428734617 /nfs/dbraw/zinc/73/46/17/1428734617.db2.gz RUMPJAOGQNOMJO-UHFFFAOYSA-N 2 1 349.563 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+](CC(C)C)C1 ZINC001700197455 1413638954 /nfs/dbraw/zinc/63/89/54/1413638954.db2.gz KPUXHELCFAXGHX-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001700197455 1413638955 /nfs/dbraw/zinc/63/89/55/1413638955.db2.gz KPUXHELCFAXGHX-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001700197455 1413638956 /nfs/dbraw/zinc/63/89/56/1413638956.db2.gz KPUXHELCFAXGHX-RBUKOAKNSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001700365055 1413886350 /nfs/dbraw/zinc/88/63/50/1413886350.db2.gz XIUFSYNPSGJGDA-WOJBJXKFSA-N 2 1 349.563 3.079 20 0 EGADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CCC[NH2+]C/C=C/Cl)c1ccccc1 ZINC001700704942 1414361806 /nfs/dbraw/zinc/36/18/06/1414361806.db2.gz DKUIRWOBZSLKFN-KYIQILLBSA-N 2 1 349.906 3.060 20 0 EGADMP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@H+]1CCC1CCCC1 ZINC001700889004 1414548127 /nfs/dbraw/zinc/54/81/27/1414548127.db2.gz SBXCLNOPEGEWHB-QUCCMNQESA-N 2 1 349.563 3.412 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C)Cc2c[nH]cn2)c1 ZINC001732593465 1428821604 /nfs/dbraw/zinc/82/16/04/1428821604.db2.gz ABLWJRUOOCYXFK-SJORKVTESA-N 2 1 342.487 3.048 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc2cnc[nH]2)c1 ZINC001732593465 1428821606 /nfs/dbraw/zinc/82/16/06/1428821606.db2.gz ABLWJRUOOCYXFK-SJORKVTESA-N 2 1 342.487 3.048 20 0 EGADMP Cc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C)Cc2cnc[nH]2)c1 ZINC001732593465 1428821619 /nfs/dbraw/zinc/82/16/19/1428821619.db2.gz ABLWJRUOOCYXFK-SJORKVTESA-N 2 1 342.487 3.048 20 0 EGADMP C[C@H](C[N@@H+](C)CCC1CCCCCC1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001733040836 1429169236 /nfs/dbraw/zinc/16/92/36/1429169236.db2.gz AHBSAVLXHZKTBP-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](C[NH+](C)CCC1CCCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001733040836 1429169238 /nfs/dbraw/zinc/16/92/38/1429169238.db2.gz AHBSAVLXHZKTBP-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP C[C@H](C[NH+](C)CCC1CCCCCC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001733040836 1429169242 /nfs/dbraw/zinc/16/92/42/1429169242.db2.gz AHBSAVLXHZKTBP-MJGOQNOKSA-N 2 1 337.552 3.268 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccccc1C ZINC001713002081 1417555376 /nfs/dbraw/zinc/55/53/76/1417555376.db2.gz GYCABWHGVQCDDK-AZUAARDMSA-N 2 1 345.531 3.196 20 0 EGADMP Cc1ccccc1[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001733053672 1429194275 /nfs/dbraw/zinc/19/42/75/1429194275.db2.gz SJMGDGRZDRYOTP-ROUUACIJSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001733053672 1429194277 /nfs/dbraw/zinc/19/42/77/1429194277.db2.gz SJMGDGRZDRYOTP-ROUUACIJSA-N 2 1 347.547 3.470 20 0 EGADMP Cc1ccccc1[C@H](C)[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001733053672 1429194278 /nfs/dbraw/zinc/19/42/78/1429194278.db2.gz SJMGDGRZDRYOTP-ROUUACIJSA-N 2 1 347.547 3.470 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001713291797 1417919510 /nfs/dbraw/zinc/91/95/10/1417919510.db2.gz ZXZUFYFYKIZNQB-MNNVXMFVSA-N 2 1 349.494 3.246 20 0 EGADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)CCNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001713455563 1418107426 /nfs/dbraw/zinc/10/74/26/1418107426.db2.gz GFCOJTTXGMWOLZ-QGZVFWFLSA-N 2 1 345.531 3.403 20 0 EGADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+](CC)[C@@H](C)c2ccccc2)C1 ZINC001713490407 1418189011 /nfs/dbraw/zinc/18/90/11/1418189011.db2.gz FDEYPBHLHJFILI-AZUAARDMSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@H+](CC)[C@@H](C)c2ccccc2)C1 ZINC001713490407 1418189013 /nfs/dbraw/zinc/18/90/13/1418189013.db2.gz FDEYPBHLHJFILI-AZUAARDMSA-N 2 1 345.531 3.308 20 0 EGADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@@H+](CC)[C@@H](C)c2ccccc2)C1 ZINC001713490407 1418189015 /nfs/dbraw/zinc/18/90/15/1418189015.db2.gz FDEYPBHLHJFILI-AZUAARDMSA-N 2 1 345.531 3.308 20 0 EGADMP CC[C@H](C(=O)NCC[N@@H+](CC)[C@H](C)c1ccc2c(c1)CCC2)[NH+](C)C ZINC001713496323 1418205868 /nfs/dbraw/zinc/20/58/68/1418205868.db2.gz QZRIYYCHHDCEHI-OXQOHEQNSA-N 2 1 345.531 3.015 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001713530353 1418278799 /nfs/dbraw/zinc/27/87/99/1418278799.db2.gz DLCXKCGWXFZNNV-PXNSSMCTSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001713530353 1418278805 /nfs/dbraw/zinc/27/88/05/1418278805.db2.gz DLCXKCGWXFZNNV-PXNSSMCTSA-N 2 1 343.515 3.060 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001713530353 1418278808 /nfs/dbraw/zinc/27/88/08/1418278808.db2.gz DLCXKCGWXFZNNV-PXNSSMCTSA-N 2 1 343.515 3.060 20 0 EGADMP CCCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001713719804 1418490266 /nfs/dbraw/zinc/49/02/66/1418490266.db2.gz IKOJVFAHZOLNGT-IBGZPJMESA-N 2 1 337.552 3.221 20 0 EGADMP CC[C@H](C(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1)[NH+](CC)CC ZINC001713765622 1418578826 /nfs/dbraw/zinc/57/88/26/1418578826.db2.gz AJZKUDBEDLIFEF-LJQANCHMSA-N 2 1 337.552 3.077 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)C1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC001713784098 1418600727 /nfs/dbraw/zinc/60/07/27/1418600727.db2.gz IHIGHIINZRESKC-GOSISDBHSA-N 2 1 345.531 3.321 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)Cc1ccccc1C ZINC001714583631 1419323786 /nfs/dbraw/zinc/32/37/86/1419323786.db2.gz CIYPYEFSHPFRHD-FQEVSTJZSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)Cc1ccccc1C ZINC001714583631 1419323790 /nfs/dbraw/zinc/32/37/90/1419323790.db2.gz CIYPYEFSHPFRHD-FQEVSTJZSA-N 2 1 345.531 3.054 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)Cc1ccccc1C ZINC001714583631 1419323797 /nfs/dbraw/zinc/32/37/97/1419323797.db2.gz CIYPYEFSHPFRHD-FQEVSTJZSA-N 2 1 345.531 3.054 20 0 EGADMP CC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)CCC1CCCCCC1 ZINC001714584216 1419325826 /nfs/dbraw/zinc/32/58/26/1419325826.db2.gz QKILESGSWCRHFY-UHFFFAOYSA-N 2 1 337.552 3.269 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](C)c1cccc(C)c1 ZINC001714589966 1419335963 /nfs/dbraw/zinc/33/59/63/1419335963.db2.gz QZVJKCVLIFOKGR-PKOBYXMFSA-N 2 1 333.520 3.080 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC001714777911 1419504405 /nfs/dbraw/zinc/50/44/05/1419504405.db2.gz RZLVAVKLLUYQCV-IRXDYDNUSA-N 2 1 342.487 3.204 20 0 EGADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1CC[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001714885398 1419625860 /nfs/dbraw/zinc/62/58/60/1419625860.db2.gz WPTCKFLIPYWIKG-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001714885398 1419625864 /nfs/dbraw/zinc/62/58/64/1419625864.db2.gz WPTCKFLIPYWIKG-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001714885398 1419625869 /nfs/dbraw/zinc/62/58/69/1419625869.db2.gz WPTCKFLIPYWIKG-RBUKOAKNSA-N 2 1 345.531 3.226 20 0 EGADMP CCCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001715218630 1419952385 /nfs/dbraw/zinc/95/23/85/1419952385.db2.gz YQWACXZSFAIWRE-SFHVURJKSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC1CCCCCC1 ZINC001715494867 1420176138 /nfs/dbraw/zinc/17/61/38/1420176138.db2.gz XTGOLZWSLURSGZ-LJQANCHMSA-N 2 1 337.552 3.172 20 0 EGADMP CCCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@@H]21 ZINC001715541631 1420239337 /nfs/dbraw/zinc/23/93/37/1420239337.db2.gz AZAKURBALPPRJU-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)CC[C@@H]21 ZINC001715541631 1420239338 /nfs/dbraw/zinc/23/93/38/1420239338.db2.gz AZAKURBALPPRJU-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CCCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)CC[C@@H]21 ZINC001715541631 1420239341 /nfs/dbraw/zinc/23/93/41/1420239341.db2.gz AZAKURBALPPRJU-QUCCMNQESA-N 2 1 349.563 3.364 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCC1([NH2+]CC2CCCCCC2)CC1 ZINC001733259719 1429413094 /nfs/dbraw/zinc/41/30/94/1429413094.db2.gz ZOHLFQAJMRPLRN-UHFFFAOYSA-N 2 1 346.519 3.215 20 0 EGADMP C[N@@H+](CC(=O)N1CC[C@H]2[C@H](CC[NH+]2CCCC(C)(C)C)C1)C1CCC1 ZINC001716048506 1420512386 /nfs/dbraw/zinc/51/23/86/1420512386.db2.gz AWWLMCUKIIKIEK-MJGOQNOKSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCCC(C)(C)C)C1)C1CCC1 ZINC001716048506 1420512389 /nfs/dbraw/zinc/51/23/89/1420512389.db2.gz AWWLMCUKIIKIEK-MJGOQNOKSA-N 2 1 349.563 3.220 20 0 EGADMP C[NH+](CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCCC(C)(C)C)C1)C1CCC1 ZINC001716048506 1420512391 /nfs/dbraw/zinc/51/23/91/1420512391.db2.gz AWWLMCUKIIKIEK-MJGOQNOKSA-N 2 1 349.563 3.220 20 0 EGADMP CC[N@@H+](CCNC(=O)CCC[NH+]1CCCCC1)C1CCCCCC1 ZINC001716714338 1420868946 /nfs/dbraw/zinc/86/89/46/1420868946.db2.gz HBJURLXTDDSFMH-UHFFFAOYSA-N 2 1 337.552 3.413 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001717201104 1421168696 /nfs/dbraw/zinc/16/86/96/1421168696.db2.gz SRSXEEBVXLCEPX-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)cc(C)c2)CC1 ZINC001717201104 1421168699 /nfs/dbraw/zinc/16/86/99/1421168699.db2.gz SRSXEEBVXLCEPX-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2)CC1 ZINC001717201104 1421168702 /nfs/dbraw/zinc/16/87/02/1421168702.db2.gz SRSXEEBVXLCEPX-HXUWFJFHSA-N 2 1 345.531 3.116 20 0 EGADMP C[C@@H](C(=O)N(C)CCC[N@@H+](C)CC1CC(C)C1)[NH+]1CCCCCC1 ZINC001717212761 1421187664 /nfs/dbraw/zinc/18/76/64/1421187664.db2.gz MJHSKWIANWYRPP-XBMUEBEBSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCc1ccc2c(c1)C[N@H+](C(C)C)C2 ZINC001717270666 1421228046 /nfs/dbraw/zinc/22/80/46/1421228046.db2.gz HGSUGMFGXHXERB-UHFFFAOYSA-N 2 1 340.471 3.047 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NCc1ccc2c(c1)C[N@@H+](C(C)C)C2 ZINC001717270666 1421228048 /nfs/dbraw/zinc/22/80/48/1421228048.db2.gz HGSUGMFGXHXERB-UHFFFAOYSA-N 2 1 340.471 3.047 20 0 EGADMP CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001717377086 1421319828 /nfs/dbraw/zinc/31/98/28/1421319828.db2.gz GGMWRRIWGJDYTM-VQTJNVASSA-N 2 1 349.563 3.223 20 0 EGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001717496596 1421437940 /nfs/dbraw/zinc/43/79/40/1421437940.db2.gz MOFPJMCOQQKQTQ-QGZVFWFLSA-N 2 1 347.547 3.262 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001717496596 1421437942 /nfs/dbraw/zinc/43/79/42/1421437942.db2.gz MOFPJMCOQQKQTQ-QGZVFWFLSA-N 2 1 347.547 3.262 20 0 EGADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001717496596 1421437944 /nfs/dbraw/zinc/43/79/44/1421437944.db2.gz MOFPJMCOQQKQTQ-QGZVFWFLSA-N 2 1 347.547 3.262 20 0 EGADMP C[C@H](c1ccccc1F)[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001717500819 1421444508 /nfs/dbraw/zinc/44/45/08/1421444508.db2.gz YEWTWQAAXFAJRS-DLBZAZTESA-N 2 1 349.494 3.199 20 0 EGADMP C[N@@H+](CCC1CCCC1)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001717705596 1421580332 /nfs/dbraw/zinc/58/03/32/1421580332.db2.gz JULTVSHSICLABU-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C[C@H]1C ZINC001717827399 1421641150 /nfs/dbraw/zinc/64/11/50/1421641150.db2.gz IAFUJLLDPIGUQI-SJLPKXTDSA-N 2 1 337.552 3.124 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001717886038 1421688280 /nfs/dbraw/zinc/68/82/80/1421688280.db2.gz YMVQCOVGKLMRSZ-RTBURBONSA-N 2 1 337.552 3.173 20 0 EGADMP C[NH+](C)CC1(C(=O)N[C@@]2(C)CC[N@@H+](CCC3CCCCCC3)C2)CC1 ZINC001733410215 1429609657 /nfs/dbraw/zinc/60/96/57/1429609657.db2.gz HAPNGOIAASSVQC-FQEVSTJZSA-N 2 1 349.563 3.269 20 0 EGADMP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001723571822 1424470244 /nfs/dbraw/zinc/47/02/44/1424470244.db2.gz SVMJZGLYZGXZAF-ZWKOTPCHSA-N 2 1 337.552 3.170 20 0 EGADMP CC(C)[N@H+]1CCC[C@](C)(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001724328664 1424816458 /nfs/dbraw/zinc/81/64/58/1424816458.db2.gz MBGVCFCJJPXBTK-OAQYLSRUSA-N 2 1 345.531 3.031 20 0 EGADMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2C1)[NH+](CC)CC ZINC001724628811 1424983492 /nfs/dbraw/zinc/98/34/92/1424983492.db2.gz RCFSACUTMNAWDM-HSALFYBXSA-N 2 1 349.563 3.077 20 0 EGADMP C[N@@H+](CC(=O)NCC1([NH2+]CC2CCC(C)(C)CC2)CCC1)C1CCC1 ZINC001724783290 1425149428 /nfs/dbraw/zinc/14/94/28/1425149428.db2.gz JDKMVYVHVSBTIZ-UHFFFAOYSA-N 2 1 349.563 3.316 20 0 EGADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001724843679 1425193110 /nfs/dbraw/zinc/19/31/10/1425193110.db2.gz NQTVYWNPTYCCNR-APWZRJJASA-N 2 1 349.494 3.199 20 0 EGADMP CCCc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC001724849183 1425208968 /nfs/dbraw/zinc/20/89/68/1425208968.db2.gz VXRNRBZXMNVOKY-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCCc1ccc(C[NH+](C)CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001724849183 1425208976 /nfs/dbraw/zinc/20/89/76/1425208976.db2.gz VXRNRBZXMNVOKY-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP CCCc1ccc(C[NH+](C)CCCN(C)C(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001724849183 1425208978 /nfs/dbraw/zinc/20/89/78/1425208978.db2.gz VXRNRBZXMNVOKY-FQEVSTJZSA-N 2 1 345.531 3.014 20 0 EGADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001724854773 1425223808 /nfs/dbraw/zinc/22/38/08/1425223808.db2.gz ZNGDEAYRFXNUQZ-UYAOXDASSA-N 2 1 345.531 3.321 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001724854773 1425223812 /nfs/dbraw/zinc/22/38/12/1425223812.db2.gz ZNGDEAYRFXNUQZ-UYAOXDASSA-N 2 1 345.531 3.321 20 0 EGADMP Cc1ccccc1[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001724854773 1425223815 /nfs/dbraw/zinc/22/38/15/1425223815.db2.gz ZNGDEAYRFXNUQZ-UYAOXDASSA-N 2 1 345.531 3.321 20 0 EGADMP CC[C@H](C)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001724979982 1425381647 /nfs/dbraw/zinc/38/16/47/1425381647.db2.gz RHPWHUQXCJBZPY-ZWKOTPCHSA-N 2 1 337.552 3.125 20 0 EGADMP CC[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)CC2)CC1 ZINC001725018503 1425436414 /nfs/dbraw/zinc/43/64/14/1425436414.db2.gz STYKEHNVYVEASZ-UHFFFAOYSA-N 2 1 349.563 3.366 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCCC(C)(C)C)CC1 ZINC001725190077 1425732117 /nfs/dbraw/zinc/73/21/17/1425732117.db2.gz ZPAZGYLONKJYKE-KRWDZBQOSA-N 2 1 339.568 3.370 20 0 EGADMP CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001731297632 1427240288 /nfs/dbraw/zinc/24/02/88/1427240288.db2.gz UJNWKCRCYNOIRY-IEBWSBKVSA-N 2 1 337.552 3.410 20 0 EGADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC12CC[NH+]([C@@H](C)c1ccccc1)CC2 ZINC001731384587 1427326428 /nfs/dbraw/zinc/32/64/28/1427326428.db2.gz DNQBZWWZWIUREF-HKUYNNGSSA-N 2 1 343.515 3.060 20 0 EGADMP CC(C)C[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001731430601 1427413178 /nfs/dbraw/zinc/41/31/78/1427413178.db2.gz BIEDPXCJCINLCM-SLFFLAALSA-N 2 1 349.563 3.076 20 0 EGADMP O=C(CC[NH+]1CCCCC1)NC[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001731506941 1427494630 /nfs/dbraw/zinc/49/46/30/1427494630.db2.gz NHEAXWJSSTWGRH-HXUWFJFHSA-N 2 1 349.563 3.271 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001731697292 1427747428 /nfs/dbraw/zinc/74/74/28/1427747428.db2.gz CUSWKXJEGLYCLE-RBUKOAKNSA-N 2 1 337.552 3.316 20 0 EGADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001731697290 1427747882 /nfs/dbraw/zinc/74/78/82/1427747882.db2.gz CUSWKXJEGLYCLE-MOPGFXCFSA-N 2 1 337.552 3.316 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001731720674 1427788927 /nfs/dbraw/zinc/78/89/27/1427788927.db2.gz OPEXWJBEQSXYEJ-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001731720674 1427788934 /nfs/dbraw/zinc/78/89/34/1427788934.db2.gz OPEXWJBEQSXYEJ-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001731720674 1427788938 /nfs/dbraw/zinc/78/89/38/1427788938.db2.gz OPEXWJBEQSXYEJ-LPHOPBHVSA-N 2 1 349.494 3.151 20 0 EGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH+](C)Cc1ccccc1 ZINC001733778872 1430035136 /nfs/dbraw/zinc/03/51/36/1430035136.db2.gz PKLSYKYWMWUADI-HXUWFJFHSA-N 2 1 345.531 3.230 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)CCC[N@H+](C)Cc1ccccc1 ZINC001733778872 1430035141 /nfs/dbraw/zinc/03/51/41/1430035141.db2.gz PKLSYKYWMWUADI-HXUWFJFHSA-N 2 1 345.531 3.230 20 0 EGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1 ZINC001733778872 1430035150 /nfs/dbraw/zinc/03/51/50/1430035150.db2.gz PKLSYKYWMWUADI-HXUWFJFHSA-N 2 1 345.531 3.230 20 0 EGADMP C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CC1CCCCCC1 ZINC001733897145 1437714305 /nfs/dbraw/zinc/71/43/05/1437714305.db2.gz CFCDHFXIDYRKDG-PKOBYXMFSA-N 2 1 349.563 3.410 20 0 EGADMP C[C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CCCC1CCCC1 ZINC001733902126 1437720454 /nfs/dbraw/zinc/72/04/54/1437720454.db2.gz SYSJEHKMSWAKHD-MJGOQNOKSA-N 2 1 349.563 3.410 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)[C@@H](CC)c1ccccc1 ZINC001733938711 1437754244 /nfs/dbraw/zinc/75/42/44/1437754244.db2.gz RLULYEMAJQTIJE-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@H+](C)[C@@H](CC)c1ccccc1 ZINC001733938711 1437754246 /nfs/dbraw/zinc/75/42/46/1437754246.db2.gz RLULYEMAJQTIJE-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)[C@@H](CC)c1ccccc1 ZINC001733938711 1437754247 /nfs/dbraw/zinc/75/42/47/1437754247.db2.gz RLULYEMAJQTIJE-PMACEKPBSA-N 2 1 345.531 3.402 20 0 EGADMP CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001733941699 1437757587 /nfs/dbraw/zinc/75/75/87/1437757587.db2.gz SCNIVFOQKCFHBK-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001733941699 1437757588 /nfs/dbraw/zinc/75/75/88/1437757588.db2.gz SCNIVFOQKCFHBK-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001733941699 1437757589 /nfs/dbraw/zinc/75/75/89/1437757589.db2.gz SCNIVFOQKCFHBK-MOPGFXCFSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1[C@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@H+]1CCCC1CCC1 ZINC001734456311 1438113829 /nfs/dbraw/zinc/11/38/29/1438113829.db2.gz HTNAHZPACBQDKC-AZUAARDMSA-N 2 1 349.563 3.412 20 0 EGADMP C[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1F)[NH+]1CCCCCC1 ZINC001752072392 1440138042 /nfs/dbraw/zinc/13/80/42/1440138042.db2.gz CFJFEYFEKYGXIV-KRWDZBQOSA-N 2 1 349.494 3.028 20 0 EGADMP CCc1ccccc1C[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001752126674 1440143191 /nfs/dbraw/zinc/14/31/91/1440143191.db2.gz UCSMTQWBTAYPHN-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCc1ccccc1C[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001752126674 1440143192 /nfs/dbraw/zinc/14/31/92/1440143192.db2.gz UCSMTQWBTAYPHN-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CCc1ccccc1C[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001752126674 1440143193 /nfs/dbraw/zinc/14/31/93/1440143193.db2.gz UCSMTQWBTAYPHN-HXUWFJFHSA-N 2 1 345.531 3.062 20 0 EGADMP CC(C)CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001752425672 1440177040 /nfs/dbraw/zinc/17/70/40/1440177040.db2.gz SIXFINFWZZUWLZ-FHWLQOOXSA-N 2 1 349.563 3.124 20 0 EGADMP CCC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001752436862 1440180346 /nfs/dbraw/zinc/18/03/46/1440180346.db2.gz ZTVSBUAWOBZPLF-DSQZMVHQSA-N 2 1 347.547 3.045 20 0 EGADMP CC/C=C\CC[NH+]1CCC(N(CCC)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001752439599 1440180964 /nfs/dbraw/zinc/18/09/64/1440180964.db2.gz KOMWKPKPUWZULZ-RURPWVQCSA-N 2 1 349.563 3.388 20 0 EGADMP CCCCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001752781923 1440209075 /nfs/dbraw/zinc/20/90/75/1440209075.db2.gz ASPSOHHPDVZUTH-KRWDZBQOSA-N 2 1 342.487 3.275 20 0 EGADMP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001752836955 1440228157 /nfs/dbraw/zinc/22/81/57/1440228157.db2.gz QEFOGOVLOZSFBU-MJGOQNOKSA-N 2 1 349.563 3.268 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001752837325 1440228393 /nfs/dbraw/zinc/22/83/93/1440228393.db2.gz SCQYAQYRMGCYII-PXEQJPNCSA-N 2 1 349.563 3.434 20 0 EGADMP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001752839138 1440229347 /nfs/dbraw/zinc/22/93/47/1440229347.db2.gz BRKBTQTXMXGYIM-IEBWSBKVSA-N 2 1 337.552 3.125 20 0 EGADMP C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001752840230 1440229974 /nfs/dbraw/zinc/22/99/74/1440229974.db2.gz JVOMFGGSSLNHTL-PXNSSMCTSA-N 2 1 349.563 3.125 20 0 EGADMP CC(C)CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001752850755 1440233470 /nfs/dbraw/zinc/23/34/70/1440233470.db2.gz LODJPASUOFCRNE-QLOJAFMTSA-N 2 1 349.563 3.457 20 0 EGADMP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH2+]CCC1CCCCC1 ZINC001752921633 1440248677 /nfs/dbraw/zinc/24/86/77/1440248677.db2.gz WBPNWUVJJCQNFJ-FXAWDEMLSA-N 2 1 345.531 3.354 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001752939253 1440250791 /nfs/dbraw/zinc/25/07/91/1440250791.db2.gz YGDLFCFBOAJOLD-VQTJNVASSA-N 2 1 349.563 3.269 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001752996611 1440262351 /nfs/dbraw/zinc/26/23/51/1440262351.db2.gz HFQCCNQUSTYVKL-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001752996611 1440262352 /nfs/dbraw/zinc/26/23/52/1440262352.db2.gz HFQCCNQUSTYVKL-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001752996611 1440262353 /nfs/dbraw/zinc/26/23/53/1440262353.db2.gz HFQCCNQUSTYVKL-LJQANCHMSA-N 2 1 349.563 3.221 20 0 EGADMP CC(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001753036775 1440274954 /nfs/dbraw/zinc/27/49/54/1440274954.db2.gz FGRBAYLWEPAKEK-IBGZPJMESA-N 2 1 337.552 3.125 20 0 EGADMP Cc1cc(C[N@H+]2CCC[C@H]2CCCNC(=O)C[NH+]2CCCC2)cs1 ZINC001753040242 1440275882 /nfs/dbraw/zinc/27/58/82/1440275882.db2.gz UIERRAUNXYBNOB-GOSISDBHSA-N 2 1 349.544 3.013 20 0 EGADMP Cc1cc(C)cc(C[N@@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001753049915 1440279066 /nfs/dbraw/zinc/27/90/66/1440279066.db2.gz RQVMAWOFQHTGTD-UHFFFAOYSA-N 2 1 345.531 3.116 20 0 EGADMP Cc1ccc(C[N@@H+](C)CCNC(=O)CCC[NH+]2CCCCC2)cc1C ZINC001753076084 1440291241 /nfs/dbraw/zinc/29/12/41/1440291241.db2.gz UDIWVWNGDMITBQ-UHFFFAOYSA-N 2 1 345.531 3.118 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)[C@H](C)c2cccc(F)c2)CC[N@H+]1C ZINC001753082237 1440294377 /nfs/dbraw/zinc/29/43/77/1440294377.db2.gz HDIGQSRSMIFZTL-AYOQOUSVSA-N 2 1 349.494 3.055 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](CC)[C@H](C)c2cccc(F)c2)CC[NH+]1C ZINC001753082237 1440294378 /nfs/dbraw/zinc/29/43/78/1440294378.db2.gz HDIGQSRSMIFZTL-AYOQOUSVSA-N 2 1 349.494 3.055 20 0 EGADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](CC)[C@H](C)c2cccc(F)c2)CC[NH+]1C ZINC001753082237 1440294379 /nfs/dbraw/zinc/29/43/79/1440294379.db2.gz HDIGQSRSMIFZTL-AYOQOUSVSA-N 2 1 349.494 3.055 20 0 EGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)CCC1=CCCCC1 ZINC001753082239 1440294529 /nfs/dbraw/zinc/29/45/29/1440294529.db2.gz HDODCWFLIVNWTG-IBGZPJMESA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)CCC1=CCCCC1 ZINC001753082239 1440294530 /nfs/dbraw/zinc/29/45/30/1440294530.db2.gz HDODCWFLIVNWTG-IBGZPJMESA-N 2 1 335.536 3.188 20 0 EGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)CCC1=CCCCC1 ZINC001753082239 1440294531 /nfs/dbraw/zinc/29/45/31/1440294531.db2.gz HDODCWFLIVNWTG-IBGZPJMESA-N 2 1 335.536 3.188 20 0 EGADMP CC(C)(C(=O)NC[C@H]1CCC[N@H+]1CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001753107628 1440306903 /nfs/dbraw/zinc/30/69/03/1440306903.db2.gz CBLGJMQXWWUJRI-GOSISDBHSA-N 2 1 347.547 3.022 20 0 EGADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[NH+](CC)CC ZINC001753112271 1440309116 /nfs/dbraw/zinc/30/91/16/1440309116.db2.gz ZLTSFEYJMYCAKN-RBUKOAKNSA-N 2 1 337.552 3.268 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1)c1ccccc1 ZINC001753119115 1440312756 /nfs/dbraw/zinc/31/27/56/1440312756.db2.gz LYWSTJUPVRFSPH-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1)c1ccccc1 ZINC001753119115 1440312757 /nfs/dbraw/zinc/31/27/57/1440312757.db2.gz LYWSTJUPVRFSPH-UXHICEINSA-N 2 1 343.515 3.060 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H](C)c1cc(C)ccc1C ZINC001753142967 1440322329 /nfs/dbraw/zinc/32/23/29/1440322329.db2.gz QRIALTVGOJZEOV-ICSRJNTNSA-N 2 1 345.531 3.287 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](C)c1cc(C)ccc1C ZINC001753142967 1440322330 /nfs/dbraw/zinc/32/23/30/1440322330.db2.gz QRIALTVGOJZEOV-ICSRJNTNSA-N 2 1 345.531 3.287 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)[C@@H](C)c1cc(C)ccc1C ZINC001753142967 1440322331 /nfs/dbraw/zinc/32/23/31/1440322331.db2.gz QRIALTVGOJZEOV-ICSRJNTNSA-N 2 1 345.531 3.287 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)c1ccc(F)cc1 ZINC001753143082 1440322529 /nfs/dbraw/zinc/32/25/29/1440322529.db2.gz IDEKVCBRPIIMPO-GPMSIDNRSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H](C)c1ccc(F)cc1 ZINC001753143082 1440322530 /nfs/dbraw/zinc/32/25/30/1440322530.db2.gz IDEKVCBRPIIMPO-GPMSIDNRSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H](C)c1ccc(F)cc1 ZINC001753143082 1440322531 /nfs/dbraw/zinc/32/25/31/1440322531.db2.gz IDEKVCBRPIIMPO-GPMSIDNRSA-N 2 1 349.494 3.055 20 0 EGADMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC1CCCC1 ZINC001753149325 1440326661 /nfs/dbraw/zinc/32/66/61/1440326661.db2.gz WYWIVHXHRKVXGW-RBUKOAKNSA-N 2 1 337.552 3.125 20 0 EGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC)c1ccc(C(C)C)cc1 ZINC001753294503 1440351548 /nfs/dbraw/zinc/35/15/48/1440351548.db2.gz OARQMIZYECLNOM-WOJBJXKFSA-N 2 1 345.531 3.451 20 0 EGADMP Cc1[nH+]ccn1CC(=O)NC[C@H]([NH2+]CCC(C)(C)C)c1ccccc1 ZINC001753302968 1440354655 /nfs/dbraw/zinc/35/46/55/1440354655.db2.gz MQGLDASDYBAZGD-SFHVURJKSA-N 2 1 342.487 3.075 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)c1cccc(C)c1 ZINC001753308721 1440355942 /nfs/dbraw/zinc/35/59/42/1440355942.db2.gz AZQJAGBCQWZFLU-YSIASYRMSA-N 2 1 343.515 3.073 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1cccc(C)c1 ZINC001753308721 1440355943 /nfs/dbraw/zinc/35/59/43/1440355943.db2.gz AZQJAGBCQWZFLU-YSIASYRMSA-N 2 1 343.515 3.073 20 0 EGADMP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1cccc(C)c1 ZINC001753308721 1440355944 /nfs/dbraw/zinc/35/59/44/1440355944.db2.gz AZQJAGBCQWZFLU-YSIASYRMSA-N 2 1 343.515 3.073 20 0 EGADMP CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001753325774 1440366501 /nfs/dbraw/zinc/36/65/01/1440366501.db2.gz DGGCTFNSHGZLRW-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H]1CC[NH+](CCCC(C)C)C1 ZINC001753325774 1440366502 /nfs/dbraw/zinc/36/65/02/1440366502.db2.gz DGGCTFNSHGZLRW-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)[C@H]1CC[NH+](CCCC(C)C)C1 ZINC001753325774 1440366503 /nfs/dbraw/zinc/36/65/03/1440366503.db2.gz DGGCTFNSHGZLRW-MOPGFXCFSA-N 2 1 337.552 3.077 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@@H](C)c2ccccc2F)C1 ZINC001753360018 1440382338 /nfs/dbraw/zinc/38/23/38/1440382338.db2.gz OGYMLLAAOQJCDE-DLBZAZTESA-N 2 1 349.494 3.007 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001753360018 1440382339 /nfs/dbraw/zinc/38/23/39/1440382339.db2.gz OGYMLLAAOQJCDE-DLBZAZTESA-N 2 1 349.494 3.007 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)c2ccccc2F)C1 ZINC001753360018 1440382340 /nfs/dbraw/zinc/38/23/40/1440382340.db2.gz OGYMLLAAOQJCDE-DLBZAZTESA-N 2 1 349.494 3.007 20 0 EGADMP CC/C=C/CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001753428814 1440397597 /nfs/dbraw/zinc/39/75/97/1440397597.db2.gz WITIEIXXGAQVFC-DUFJLWIISA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001753428814 1440397598 /nfs/dbraw/zinc/39/75/98/1440397598.db2.gz WITIEIXXGAQVFC-DUFJLWIISA-N 2 1 347.547 3.188 20 0 EGADMP CC/C=C/CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001753428814 1440397599 /nfs/dbraw/zinc/39/75/99/1440397599.db2.gz WITIEIXXGAQVFC-DUFJLWIISA-N 2 1 347.547 3.188 20 0 EGADMP Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C2)cc1 ZINC001753443791 1440402662 /nfs/dbraw/zinc/40/26/62/1440402662.db2.gz DMXYMDQCZDOKOV-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)C2)cc1 ZINC001753443791 1440402663 /nfs/dbraw/zinc/40/26/63/1440402663.db2.gz DMXYMDQCZDOKOV-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP Cc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C2)cc1 ZINC001753443791 1440402664 /nfs/dbraw/zinc/40/26/64/1440402664.db2.gz DMXYMDQCZDOKOV-LJQANCHMSA-N 2 1 345.531 3.006 20 0 EGADMP CCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001753457277 1440408754 /nfs/dbraw/zinc/40/87/54/1440408754.db2.gz MXAAOPNOKZBOFI-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP CCN(C(=O)C[N@H+](C)C1CCC1)[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001753457277 1440408755 /nfs/dbraw/zinc/40/87/55/1440408755.db2.gz MXAAOPNOKZBOFI-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP CCN(C(=O)C[N@@H+](C)C1CCC1)[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001753457277 1440408756 /nfs/dbraw/zinc/40/87/56/1440408756.db2.gz MXAAOPNOKZBOFI-SFHVURJKSA-N 2 1 337.552 3.220 20 0 EGADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001753458755 1440409381 /nfs/dbraw/zinc/40/93/81/1440409381.db2.gz KBEIZIUKLLVIML-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H](N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001753458755 1440409382 /nfs/dbraw/zinc/40/93/82/1440409382.db2.gz KBEIZIUKLLVIML-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H](N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001753458755 1440409383 /nfs/dbraw/zinc/40/93/83/1440409383.db2.gz KBEIZIUKLLVIML-UXHICEINSA-N 2 1 345.531 3.402 20 0 EGADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001753460388 1440410154 /nfs/dbraw/zinc/41/01/54/1440410154.db2.gz XCFKWIVRYVFBHG-RBUKOAKNSA-N 2 1 331.504 3.012 20 0 EGADMP CCC(CC)C[NH2+]C[C@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@@H]1C ZINC001753532779 1440431582 /nfs/dbraw/zinc/43/15/82/1440431582.db2.gz FIYSZABKDPKXJO-OXJNMPFZSA-N 2 1 348.535 3.282 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC(CC[NH2+]Cc2cccc(C)c2)CC1 ZINC001753576901 1440439526 /nfs/dbraw/zinc/43/95/26/1440439526.db2.gz ZGNQQGDIDHHIPN-UHFFFAOYSA-N 2 1 345.531 3.055 20 0 EGADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001753690125 1440466399 /nfs/dbraw/zinc/46/63/99/1440466399.db2.gz SVEVOKCKORMSSA-PKOBYXMFSA-N 2 1 349.563 3.266 20 0 EGADMP CC[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001753701837 1440468607 /nfs/dbraw/zinc/46/86/07/1440468607.db2.gz SGJUYEKMVGKJIF-CVEARBPZSA-N 2 1 325.541 3.122 20 0 EGADMP CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C1CCCCC1 ZINC001753749614 1440482203 /nfs/dbraw/zinc/48/22/03/1440482203.db2.gz MWRJIOAXCLEMCM-MOPGFXCFSA-N 2 1 337.552 3.316 20 0 EGADMP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCCC2CCCC2)C1 ZINC001753788402 1440488512 /nfs/dbraw/zinc/48/85/12/1440488512.db2.gz NWXVYKLTZZFJTQ-PMACEKPBSA-N 2 1 349.563 3.269 20 0 EGADMP C[C@H]1CCC[C@@H](CC[N@@H+](C)CCN(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001753856322 1440509013 /nfs/dbraw/zinc/50/90/13/1440509013.db2.gz FFBBMYFAJRIQIQ-OALUTQOASA-N 2 1 349.563 3.221 20 0 EGADMP CC1CC(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001753860750 1440511169 /nfs/dbraw/zinc/51/11/69/1440511169.db2.gz IRIJLCYACMROOC-AFMYVXGZSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CC(C[NH+](C)CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001753860750 1440511170 /nfs/dbraw/zinc/51/11/70/1440511170.db2.gz IRIJLCYACMROOC-AFMYVXGZSA-N 2 1 349.563 3.220 20 0 EGADMP CC1CC(C[NH+](C)CCN(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001753860750 1440511171 /nfs/dbraw/zinc/51/11/71/1440511171.db2.gz IRIJLCYACMROOC-AFMYVXGZSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CCC2CCCC2)CC1 ZINC001753866884 1440515047 /nfs/dbraw/zinc/51/50/47/1440515047.db2.gz VNSUZDAJAZFRCK-UHFFFAOYSA-N 2 1 337.552 3.077 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001753869427 1440516783 /nfs/dbraw/zinc/51/67/83/1440516783.db2.gz SIVMTUGNCVOZGW-UHFFFAOYSA-N 2 1 345.531 3.070 20 0 EGADMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001753874498 1440518536 /nfs/dbraw/zinc/51/85/36/1440518536.db2.gz GLXXRHQHOVYRCV-HNNXBMFYSA-N 2 1 339.911 3.133 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001753874498 1440518537 /nfs/dbraw/zinc/51/85/37/1440518537.db2.gz GLXXRHQHOVYRCV-HNNXBMFYSA-N 2 1 339.911 3.133 20 0 EGADMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001753874498 1440518538 /nfs/dbraw/zinc/51/85/38/1440518538.db2.gz GLXXRHQHOVYRCV-HNNXBMFYSA-N 2 1 339.911 3.133 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CCCC2CCCC2)C1 ZINC001753877778 1440520053 /nfs/dbraw/zinc/52/00/53/1440520053.db2.gz JOFPMYNYJYGLDN-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCC2CCCC2)C1 ZINC001753877778 1440520054 /nfs/dbraw/zinc/52/00/54/1440520054.db2.gz JOFPMYNYJYGLDN-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCCC2CCCC2)C1 ZINC001753877778 1440520055 /nfs/dbraw/zinc/52/00/55/1440520055.db2.gz JOFPMYNYJYGLDN-PMACEKPBSA-N 2 1 349.563 3.220 20 0 EGADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001753992313 1440529128 /nfs/dbraw/zinc/52/91/28/1440529128.db2.gz DYMDBJVFSQCZKB-MJGOQNOKSA-N 2 1 349.563 3.173 20 0 EGADMP CCN(CC[NH2+]CCCC1CCCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001754071510 1440538118 /nfs/dbraw/zinc/53/81/18/1440538118.db2.gz DHLOJJBEWWNVID-VQTJNVASSA-N 2 1 349.563 3.412 20 0 EGADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001754225243 1440553101 /nfs/dbraw/zinc/55/31/01/1440553101.db2.gz PBRSQLBJIUZLLH-SJLPKXTDSA-N 2 1 337.552 3.170 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cc(C)cc(C)c1 ZINC001754336894 1440586886 /nfs/dbraw/zinc/58/68/86/1440586886.db2.gz PHTOUWYRIFGDAZ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1cc(C)cc(C)c1 ZINC001754336894 1440586887 /nfs/dbraw/zinc/58/68/87/1440586887.db2.gz PHTOUWYRIFGDAZ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC001754336894 1440586888 /nfs/dbraw/zinc/58/68/88/1440586888.db2.gz PHTOUWYRIFGDAZ-UYAOXDASSA-N 2 1 345.531 3.114 20 0 EGADMP CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001754540787 1440626186 /nfs/dbraw/zinc/62/61/86/1440626186.db2.gz GEEKBRLDRRAVJM-XUBOLADHSA-N 2 1 349.563 3.410 20 0 EGADMP CCCCC[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001754567588 1440636149 /nfs/dbraw/zinc/63/61/49/1440636149.db2.gz PVQMBRXXQGVDMZ-NRFANRHFSA-N 2 1 349.563 3.221 20 0 EGADMP C[C@H]1C[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001754598645 1440641960 /nfs/dbraw/zinc/64/19/60/1440641960.db2.gz KHWPRCSPSXDLEG-DLBZAZTESA-N 2 1 339.568 3.370 20 0 EGADMP CCC/C=C/CC[N@H+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001754674741 1440659515 /nfs/dbraw/zinc/65/95/15/1440659515.db2.gz BFBQVMXFWRXJHA-PVTFFILZSA-N 2 1 335.536 3.188 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001754674741 1440659516 /nfs/dbraw/zinc/65/95/16/1440659516.db2.gz BFBQVMXFWRXJHA-PVTFFILZSA-N 2 1 335.536 3.188 20 0 EGADMP CCC/C=C/CC[NH+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001754674741 1440659517 /nfs/dbraw/zinc/65/95/17/1440659517.db2.gz BFBQVMXFWRXJHA-PVTFFILZSA-N 2 1 335.536 3.188 20 0 EGADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001754697629 1440667339 /nfs/dbraw/zinc/66/73/39/1440667339.db2.gz RAFOGBVUIXVFEO-PZJWPPBQSA-N 2 1 347.547 3.189 20 0 EGADMP CC(C)=CC[NH+]1CCC(C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001754718171 1440672179 /nfs/dbraw/zinc/67/21/79/1440672179.db2.gz SCCGDJZZVZJMGJ-GOSISDBHSA-N 2 1 335.536 3.045 20 0 EGADMP CCC/C=C/CC[N@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001754730789 1440679084 /nfs/dbraw/zinc/67/90/84/1440679084.db2.gz YXXVWMYYBGWLFW-BXKJMJEDSA-N 2 1 349.563 3.293 20 0 EGADMP CC(C)[N@@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+](CCC2CCCC2)C1 ZINC001754734879 1440681661 /nfs/dbraw/zinc/68/16/61/1440681661.db2.gz ZLFXUKPCUJGSTL-HXUWFJFHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@@]1(C)CCC[N@H+](CCC2CCCC2)C1 ZINC001754734879 1440681662 /nfs/dbraw/zinc/68/16/62/1440681662.db2.gz ZLFXUKPCUJGSTL-HXUWFJFHSA-N 2 1 337.552 3.125 20 0 EGADMP CC(C)[NH+](C)CC(=O)NC[C@@]1(C)CCC[N@@H+](CCC2CCCC2)C1 ZINC001754734879 1440681663 /nfs/dbraw/zinc/68/16/63/1440681663.db2.gz ZLFXUKPCUJGSTL-HXUWFJFHSA-N 2 1 337.552 3.125 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC(C)(C)C ZINC001754867834 1440703657 /nfs/dbraw/zinc/70/36/57/1440703657.db2.gz LJPMWQKNOCXJDS-ROUUACIJSA-N 2 1 346.519 3.083 20 0 EGADMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC(C)(C)C ZINC001754867834 1440703658 /nfs/dbraw/zinc/70/36/58/1440703658.db2.gz LJPMWQKNOCXJDS-ROUUACIJSA-N 2 1 346.519 3.083 20 0 EGADMP CC(C)CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCC1 ZINC001754988024 1440723473 /nfs/dbraw/zinc/72/34/73/1440723473.db2.gz OOXSZDPEBPJBQM-ZWKOTPCHSA-N 2 1 335.536 3.068 20 0 EGADMP O=C(NCC1([NH2+]CCC2CCCC2)CCC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001754988239 1440723497 /nfs/dbraw/zinc/72/34/97/1440723497.db2.gz WGXUFTDLJCVNBV-RTBURBONSA-N 2 1 347.547 3.212 20 0 EGADMP CCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001755026683 1440729235 /nfs/dbraw/zinc/72/92/35/1440729235.db2.gz UZIQUMUOZHCPBX-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001755026683 1440729236 /nfs/dbraw/zinc/72/92/36/1440729236.db2.gz UZIQUMUOZHCPBX-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001755026683 1440729237 /nfs/dbraw/zinc/72/92/37/1440729237.db2.gz UZIQUMUOZHCPBX-OALUTQOASA-N 2 1 337.552 3.268 20 0 EGADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001755042117 1440738208 /nfs/dbraw/zinc/73/82/08/1440738208.db2.gz UNFSOGNJQAGFHV-FQEVSTJZSA-N 2 1 345.531 3.260 20 0 EGADMP Cc1cccc([C@H](C)[N@@H+](C)CCCN(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001755042962 1440738631 /nfs/dbraw/zinc/73/86/31/1440738631.db2.gz YBCGBKKNJBKKJR-SFHVURJKSA-N 2 1 345.531 3.178 20 0 EGADMP CC(C)=CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001755048036 1440742385 /nfs/dbraw/zinc/74/23/85/1440742385.db2.gz SVTDRGNGEGXMDJ-VQTJNVASSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001755048036 1440742386 /nfs/dbraw/zinc/74/23/86/1440742386.db2.gz SVTDRGNGEGXMDJ-VQTJNVASSA-N 2 1 349.563 3.243 20 0 EGADMP CC(C)=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001755048036 1440742387 /nfs/dbraw/zinc/74/23/87/1440742387.db2.gz SVTDRGNGEGXMDJ-VQTJNVASSA-N 2 1 349.563 3.243 20 0 EGADMP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001755071217 1440746674 /nfs/dbraw/zinc/74/66/74/1440746674.db2.gz LGLKCEQECGTDCX-PXEQJPNCSA-N 2 1 349.563 3.434 20 0 EGADMP C[NH+](C)CCC(=O)NCc1ccc2c(c1)C[N@H+](CCC(C)(C)C)C2 ZINC001755102166 1440753172 /nfs/dbraw/zinc/75/31/72/1440753172.db2.gz KKFYWUGPAWJLEA-UHFFFAOYSA-N 2 1 331.504 3.006 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1CCC(C)(C)C ZINC001755163239 1440765655 /nfs/dbraw/zinc/76/56/55/1440765655.db2.gz FPJLHNQDJAHSCX-IAGOWNOFSA-N 2 1 339.568 3.370 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1CCC(C)(C)C ZINC001755163239 1440765656 /nfs/dbraw/zinc/76/56/56/1440765656.db2.gz FPJLHNQDJAHSCX-IAGOWNOFSA-N 2 1 339.568 3.370 20 0 EGADMP C[C@@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1CCC(C)(C)C ZINC001755163239 1440765657 /nfs/dbraw/zinc/76/56/57/1440765657.db2.gz FPJLHNQDJAHSCX-IAGOWNOFSA-N 2 1 339.568 3.370 20 0 EGADMP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001755166486 1440767243 /nfs/dbraw/zinc/76/72/43/1440767243.db2.gz DDXFBGMQIVZIRJ-MSOLQXFVSA-N 2 1 348.535 3.412 20 0 EGADMP CC(C)CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001755166486 1440767244 /nfs/dbraw/zinc/76/72/44/1440767244.db2.gz DDXFBGMQIVZIRJ-MSOLQXFVSA-N 2 1 348.535 3.412 20 0 EGADMP CCCCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001755170844 1440768793 /nfs/dbraw/zinc/76/87/93/1440768793.db2.gz BWSNGEWVZHSUCD-FQEVSTJZSA-N 2 1 345.531 3.232 20 0 EGADMP CCCCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001755170844 1440768794 /nfs/dbraw/zinc/76/87/94/1440768794.db2.gz BWSNGEWVZHSUCD-FQEVSTJZSA-N 2 1 345.531 3.232 20 0 EGADMP CCCCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001755170844 1440768795 /nfs/dbraw/zinc/76/87/95/1440768795.db2.gz BWSNGEWVZHSUCD-FQEVSTJZSA-N 2 1 345.531 3.232 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)[C@H](C)c1ccccc1C ZINC001755200351 1440779314 /nfs/dbraw/zinc/77/93/14/1440779314.db2.gz GNEQYCSZMBYMOR-RTBURBONSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)[C@H](C)c1ccccc1C ZINC001755200351 1440779315 /nfs/dbraw/zinc/77/93/15/1440779315.db2.gz GNEQYCSZMBYMOR-RTBURBONSA-N 2 1 345.531 3.321 20 0 EGADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@H](C)c1ccccc1C ZINC001755200351 1440779316 /nfs/dbraw/zinc/77/93/16/1440779316.db2.gz GNEQYCSZMBYMOR-RTBURBONSA-N 2 1 345.531 3.321 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2CCC[NH+](CC=C(C)C)C2)CC1 ZINC001755205036 1440781909 /nfs/dbraw/zinc/78/19/09/1440781909.db2.gz PFDXDGPCEHZSIR-HXUWFJFHSA-N 2 1 349.563 3.245 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@H+](CC=C(C)C)C2)CC1 ZINC001755205036 1440781910 /nfs/dbraw/zinc/78/19/10/1440781910.db2.gz PFDXDGPCEHZSIR-HXUWFJFHSA-N 2 1 349.563 3.245 20 0 EGADMP CC[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@@H+](CC=C(C)C)C2)CC1 ZINC001755205036 1440781911 /nfs/dbraw/zinc/78/19/11/1440781911.db2.gz PFDXDGPCEHZSIR-HXUWFJFHSA-N 2 1 349.563 3.245 20 0 EGADMP Cc1[nH+]ccn1CC(=O)N(C)C1CCC([NH2+]CCCC2CCC2)CC1 ZINC001755276767 1440799250 /nfs/dbraw/zinc/79/92/50/1440799250.db2.gz VOKJHIYNECHULI-UHFFFAOYSA-N 2 1 346.519 3.131 20 0 EGADMP Cc1cccc(C)c1C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001755300486 1440808176 /nfs/dbraw/zinc/80/81/76/1440808176.db2.gz QMYWCKWEPQZMHN-UYAOXDASSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cccc(C)c1C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001755300486 1440808177 /nfs/dbraw/zinc/80/81/77/1440808177.db2.gz QMYWCKWEPQZMHN-UYAOXDASSA-N 2 1 345.531 3.113 20 0 EGADMP Cc1cccc(C)c1C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001755300486 1440808178 /nfs/dbraw/zinc/80/81/78/1440808178.db2.gz QMYWCKWEPQZMHN-UYAOXDASSA-N 2 1 345.531 3.113 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[N@H+](C)CC1CC2(CCC2)C1 ZINC001755320175 1440818178 /nfs/dbraw/zinc/81/81/78/1440818178.db2.gz OHWOQWVUWGNFDE-MRXNPFEDSA-N 2 1 346.519 3.023 20 0 EGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001755320175 1440818179 /nfs/dbraw/zinc/81/81/79/1440818179.db2.gz OHWOQWVUWGNFDE-MRXNPFEDSA-N 2 1 346.519 3.023 20 0 EGADMP C[C@H]1CC[N@@H+](CC(=O)NC2(C[NH2+]CCC3CCCC3)CCCCC2)C1 ZINC001755355054 1440829130 /nfs/dbraw/zinc/82/91/30/1440829130.db2.gz WFFVFNDAUSHGCR-SFHVURJKSA-N 2 1 349.563 3.317 20 0 EGADMP CC[N@H+](C)[C@H](C(=O)NC[C@H]1CCCCC[NH+]1CC)c1ccccc1 ZINC001755367247 1440835029 /nfs/dbraw/zinc/83/50/29/1440835029.db2.gz DLBLLBDPZRRAAS-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1CCCCC[NH+]1CC)c1ccccc1 ZINC001755367247 1440835030 /nfs/dbraw/zinc/83/50/30/1440835030.db2.gz DLBLLBDPZRRAAS-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC)c1ccccc1 ZINC001755367247 1440835031 /nfs/dbraw/zinc/83/50/31/1440835031.db2.gz DLBLLBDPZRRAAS-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCCCC[N@H+]1CC)c1ccccc1 ZINC001755367247 1440835032 /nfs/dbraw/zinc/83/50/32/1440835032.db2.gz DLBLLBDPZRRAAS-MOPGFXCFSA-N 2 1 331.504 3.060 20 0 EGADMP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCCC[N@H+]1CCC1=CCCCC1 ZINC001755368673 1440836301 /nfs/dbraw/zinc/83/63/01/1440836301.db2.gz VBDVUQPZLZJXPP-FQEVSTJZSA-N 2 1 347.547 3.334 20 0 EGADMP CCc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001755587611 1440880705 /nfs/dbraw/zinc/88/07/05/1440880705.db2.gz HQHPIHAGEWUVJD-FXAWDEMLSA-N 2 1 345.531 3.058 20 0 EGADMP CC[N@@H+](C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CCCC1)c1ccccc1 ZINC001755610538 1440886920 /nfs/dbraw/zinc/88/69/20/1440886920.db2.gz ONAFLWJSBAZLRX-PXNSSMCTSA-N 2 1 345.531 3.306 20 0 EGADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCCCC3)[C@H]2C1 ZINC001755707939 1440902975 /nfs/dbraw/zinc/90/29/75/1440902975.db2.gz KNTCNLGEZWIQNC-SLFFLAALSA-N 2 1 349.563 3.125 20 0 EGADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001755765111 1440915921 /nfs/dbraw/zinc/91/59/21/1440915921.db2.gz IUZAUMNPRQTBGH-CRAIPNDOSA-N 2 1 349.494 3.055 20 0 EGADMP CC(C)=CC[N@H+](C)CCN(C(=O)C[NH+](C)CC(C)(C)C)C(C)C ZINC001755811914 1440920732 /nfs/dbraw/zinc/92/07/32/1440920732.db2.gz FVIKNDGYYKBWQC-UHFFFAOYSA-N 2 1 325.541 3.099 20 0 EGADMP CC(C)=CC[NH+](C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)C(C)C ZINC001755811914 1440920733 /nfs/dbraw/zinc/92/07/33/1440920733.db2.gz FVIKNDGYYKBWQC-UHFFFAOYSA-N 2 1 325.541 3.099 20 0 EGADMP CC(C)=CC[NH+](C)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C(C)C ZINC001755811914 1440920734 /nfs/dbraw/zinc/92/07/34/1440920734.db2.gz FVIKNDGYYKBWQC-UHFFFAOYSA-N 2 1 325.541 3.099 20 0 EGADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C(C)(C)C ZINC001755825453 1440927078 /nfs/dbraw/zinc/92/70/78/1440927078.db2.gz SVICSAOLLCSXDT-DLBZAZTESA-N 2 1 339.568 3.418 20 0 EGADMP CC[C@H](C)C[NH+]1CCC([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001755844632 1440932887 /nfs/dbraw/zinc/93/28/87/1440932887.db2.gz CYKQWAIGSKWXKP-DLBZAZTESA-N 2 1 348.535 3.269 20 0 EGADMP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCn3c(c[nH+]c3C)C2)nc1 ZINC001164448964 718991805 /nfs/dbraw/zinc/99/18/05/718991805.db2.gz KONRVYSHGQOLCM-GOSISDBHSA-N 2 1 325.460 3.154 20 0 EGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCn3c(c[nH+]c3C)C2)nc1 ZINC001164448964 718991812 /nfs/dbraw/zinc/99/18/12/718991812.db2.gz KONRVYSHGQOLCM-GOSISDBHSA-N 2 1 325.460 3.154 20 0 EGADMP